smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(OC)c1OC 504668966 533029932 /nfs/dbraw/zinc/02/99/32/533029932.db2.gz UMEJPSKKKUGNRI-UHFFFAOYSA-N 0 0 167.184 1.394 10 0 in-vitro ADAERN CNc1nc(C2CC2)ncc1O 307468090 533080194 /nfs/dbraw/zinc/08/01/94/533080194.db2.gz QOVWLBGZNJVMRW-UHFFFAOYSA-N 0 0 165.196 1.101 10 0 ADAERN CSc1ncc2c(n1)N=NC2=O 307464643 533082755 /nfs/dbraw/zinc/08/27/55/533082755.db2.gz HFDSWQJHYQUKKM-UHFFFAOYSA-N 0 0 180.192 1.436 10 0 ADAERN CC(=O)NCCC1=CCCC1 228995762 534362707 /nfs/dbraw/zinc/36/27/07/534362707.db2.gz LFZRISGGGRNKCG-UHFFFAOYSA-N 0 0 153.225 1.623 10 0 ADAERN CC(=O)N[C@@H](C)C1CCCC1 78676801 534530605 /nfs/dbraw/zinc/53/06/05/534530605.db2.gz KWLFUYOZZZILGD-ZETCQYMHSA-N 0 0 155.241 1.701 10 0 ADAERN CC(=O)N1CCOc2ccc(C)cc21 37627098 534801419 /nfs/dbraw/zinc/80/14/19/534801419.db2.gz SWFOZFUKWAMOSQ-UHFFFAOYSA-N 0 0 191.230 1.740 10 0 ADAERN O=Nc1ccc2nccn2c1 504815653 534855537 /nfs/dbraw/zinc/85/55/37/534855537.db2.gz FWJBIJOYXIRCBW-UHFFFAOYSA-N 0 0 147.137 1.732 10 0 ADAERN CC(=O)c1cccc2c1NCCN2C 196653548 534907228 /nfs/dbraw/zinc/90/72/28/534907228.db2.gz WTCIQBIECZZOBH-UHFFFAOYSA-N 0 0 190.246 1.751 10 0 ADAERN CC(C)Cn1cnn2cccc2c1=O 408525137 534919602 /nfs/dbraw/zinc/91/96/02/534919602.db2.gz MITBYXGWEWNBNJ-UHFFFAOYSA-N 0 0 191.234 1.152 10 0 ADAERN CC1(C)NC(=O)c2ccccc2N1O 206544081 534981628 /nfs/dbraw/zinc/98/16/28/534981628.db2.gz QJLJEFPXDZGYQE-UHFFFAOYSA-N 0 0 192.218 1.362 10 0 ADAERN CC(C)CN1CCNc2cccnc21 49455875 535107203 /nfs/dbraw/zinc/10/72/03/535107203.db2.gz YDLRUGZCOWXHPP-UHFFFAOYSA-N 0 0 191.278 1.970 10 0 ADAERN CC(C)N1CC(=O)Nc2ccccc21 82237844 535141721 /nfs/dbraw/zinc/14/17/21/535141721.db2.gz DWRSLZLWOONHIZ-UHFFFAOYSA-N 0 0 190.246 1.854 10 0 ADAERN CC1=NN(C)c2ncnc(Cl)c2N1 17352910 535254106 /nfs/dbraw/zinc/25/41/06/535254106.db2.gz SPMKYHHIJWWSKD-UHFFFAOYSA-N 0 0 197.629 1.325 10 0 ADAERN CC1(C)CCC[C@@H]1C(=O)N1CCCO1 229017583 535300966 /nfs/dbraw/zinc/30/09/66/535300966.db2.gz DPTIHOPTDCEQSW-SECBINFHSA-N 0 0 197.278 1.977 10 0 ADAERN CCCN1CC(=O)Nc2ccccc21 37637650 535350405 /nfs/dbraw/zinc/35/04/05/535350405.db2.gz NTCZNMWNBFBWIR-UHFFFAOYSA-N 0 0 190.246 1.855 10 0 ADAERN CC(C)C(=O)N1CCC(=O)[C@H](C)C1 229495220 535372511 /nfs/dbraw/zinc/37/25/11/535372511.db2.gz PYQXASKHHKROKF-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)CC(=O)N[C@@H]1CCCOC1 238935931 535380030 /nfs/dbraw/zinc/38/00/30/535380030.db2.gz VMSQLLZDTHDOOJ-SECBINFHSA-N 0 0 185.267 1.328 10 0 ADAERN CCNC(=O)[C@H]1CC1(C)C 228631275 535408399 /nfs/dbraw/zinc/40/83/99/535408399.db2.gz HLGPEKCAGQLGIC-ZCFIWIBFSA-N 0 0 141.214 1.169 10 0 ADAERN CCN1C(=O)COc2cc(O)ccc21 36260761 535431772 /nfs/dbraw/zinc/43/17/72/535431772.db2.gz NHKUKQNMTPOXGP-UHFFFAOYSA-N 0 0 193.202 1.138 10 0 ADAERN CCN1C(=O)COc2ccc(O)cc21 36259922 535433449 /nfs/dbraw/zinc/43/34/49/535433449.db2.gz VZOREAOJDZCCLF-UHFFFAOYSA-N 0 0 193.202 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190.246 1.568 10 0 ADAERN CCc1cccc(-n2cc[nH]c2=O)c1 229013552 535840178 /nfs/dbraw/zinc/84/01/78/535840178.db2.gz UPHPLDVGFYPZPF-UHFFFAOYSA-N 0 0 188.230 1.728 10 0 ADAERN CC[C@@H]1Nc2ccccc2N(C)C1=O 57928910 535927391 /nfs/dbraw/zinc/92/73/91/535927391.db2.gz QFBAXBQIOSMHSV-QMMMGPOBSA-N 0 0 190.246 1.854 10 0 ADAERN CN(C(=O)C(C)(C)C)[C@@H]1CCOC1 96810573 535953396 /nfs/dbraw/zinc/95/33/96/535953396.db2.gz INHYJYPZBKYYCW-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN CN(C(=O)C(C)(C)C)[C@H]1CCOC1 96810575 535953497 /nfs/dbraw/zinc/95/34/97/535953497.db2.gz INHYJYPZBKYYCW-QMMMGPOBSA-N 0 0 185.267 1.280 10 0 ADAERN CN(C)N=c1[nH]c2ccccc2n1C 48552971 536063643 /nfs/dbraw/zinc/06/36/43/536063643.db2.gz HTZFQNOZGQRGRW-UHFFFAOYSA-N 0 0 190.250 1.462 10 0 ADAERN CNC(=O)N1CC=Cc2ccccc21 3625995 536313420 /nfs/dbraw/zinc/31/34/20/536313420.db2.gz KYSHMUXEDIVXGE-UHFFFAOYSA-N 0 0 188.230 1.859 10 0 ADAERN CN1C(=O)CNc2cc(F)c(F)cc21 57933500 536313946 /nfs/dbraw/zinc/31/39/46/536313946.db2.gz 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AQKDLCLPZJPBNV-UHFFFAOYSA-N 0 0 192.218 1.490 10 0 ADAERN COC(C)(C)C(=O)N1CC[C@@H](C)C1 224050102 536880464 /nfs/dbraw/zinc/88/04/64/536880464.db2.gz BFRZMAJIUILHBK-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN COC(C)(C)C(=O)NC1CCCCC1 223988661 536881469 /nfs/dbraw/zinc/88/14/69/536881469.db2.gz NDBRPEBOUHFTIW-UHFFFAOYSA-N 0 0 199.294 1.860 10 0 ADAERN COC(C)(C)C(=O)NC1CCCC1 223992245 536881883 /nfs/dbraw/zinc/88/18/83/536881883.db2.gz NVYYFGLQQLVUJG-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN COC(=O)/C(C#N)=C\c1occc1C 346717 537775715 /nfs/dbraw/zinc/77/57/15/537775715.db2.gz CYJVIOKLARYEEJ-YVMONPNESA-N 0 0 191.186 1.668 10 0 ADAERN O[C@@H]1CC[C@H]2CC[C@@H]1C2 17162721 537776972 /nfs/dbraw/zinc/77/69/72/537776972.db2.gz PVDVHTXERCKKSW-BWZBUEFSSA-N 0 0 126.199 1.557 10 0 ADAERN N[S@](=O)CC[C@@H]1C[C@H]1C1CC1 675068163 537777316 /nfs/dbraw/zinc/77/73/16/537777316.db2.gz UPFOPNHSBTWIDS-VHSKPIJISA-N 0 0 173.281 1.045 10 0 ADAERN CC(C)CCC[S@](N)=O 675068625 537777575 /nfs/dbraw/zinc/77/75/75/537777575.db2.gz RCGCIPFSQUEGPV-SECBINFHSA-N 0 0 149.259 1.045 10 0 ADAERN N[S@](=O)CC1CC2(CCC2)C1 675067565 537777862 /nfs/dbraw/zinc/77/78/62/537777862.db2.gz ISRRFBWGJPEYBQ-LLVKDONJSA-N 0 0 173.281 1.189 10 0 ADAERN CC(C)C[C@H](C)[S@](N)=O 675067641 537777884 /nfs/dbraw/zinc/77/78/84/537777884.db2.gz GEDWHKHHAZPZII-IMTBSYHQSA-N 0 0 149.259 1.043 10 0 ADAERN CC(C)C[C@H](C)[S@@](N)=O 675067643 537777931 /nfs/dbraw/zinc/77/79/31/537777931.db2.gz GEDWHKHHAZPZII-RCOVLWMOSA-N 0 0 149.259 1.043 10 0 ADAERN Cn1ncc(N)c1-c1cccnc1F 675068934 537777971 /nfs/dbraw/zinc/77/79/71/537777971.db2.gz FLXBIVZDUMFRSS-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Clc1nnc2n1CCCCC2 675067744 537778228 /nfs/dbraw/zinc/77/82/28/537778228.db2.gz MSQAHLIVEOIXRW-UHFFFAOYSA-N 0 0 171.631 1.658 10 0 ADAERN CC(=O)NCC(F)(F)C(F)F 17548370 537778280 /nfs/dbraw/zinc/77/82/80/537778280.db2.gz CUYIAKKDXYMIKR-UHFFFAOYSA-N 0 0 173.109 1.023 10 0 ADAERN Cc1cc2nnc(Cl)n2cn1 675067539 537778571 /nfs/dbraw/zinc/77/85/71/537778571.db2.gz IFDVRTKHBGSXCL-UHFFFAOYSA-N 0 0 168.587 1.086 10 0 ADAERN CC(C)C[C@@H](C)[S@@](N)=O 675067642 537778619 /nfs/dbraw/zinc/77/86/19/537778619.db2.gz GEDWHKHHAZPZII-MUWHJKNJSA-N 0 0 149.259 1.043 10 0 ADAERN CC1CCC2(CC1)O[C@H]1C[C@H]1C2=O 675068988 537778790 /nfs/dbraw/zinc/77/87/90/537778790.db2.gz FWUZKNVKTRYTBS-GWMJWBFUSA-N 0 0 180.247 1.923 10 0 ADAERN CC(C)(CC(N)=O)C(F)(F)F 17414311 537778826 /nfs/dbraw/zinc/77/88/26/537778826.db2.gz XQYBEKWNQIAKEH-UHFFFAOYSA-N 0 0 169.146 1.450 10 0 ADAERN CC(C)C[C@@H](C)[S@](N)=O 675067639 537779015 /nfs/dbraw/zinc/77/90/15/537779015.db2.gz GEDWHKHHAZPZII-HZGVNTEJSA-N 0 0 149.259 1.043 10 0 ADAERN CC(C)(CO)C[C@H]1CCCCNC1=O 675067574 537779047 /nfs/dbraw/zinc/77/90/47/537779047.db2.gz JNOOJMJSPQSUIR-SECBINFHSA-N 0 0 199.294 1.311 10 0 ADAERN N[S@@](=O)CC1CC2(CCC2)C1 675067566 537779053 /nfs/dbraw/zinc/77/90/53/537779053.db2.gz ISRRFBWGJPEYBQ-NSHDSACASA-N 0 0 173.281 1.189 10 0 ADAERN CC(C)(CO)C[C@@H]1CCCCNC1=O 675067575 537779184 /nfs/dbraw/zinc/77/91/84/537779184.db2.gz JNOOJMJSPQSUIR-VIFPVBQESA-N 0 0 199.294 1.311 10 0 ADAERN CC(F)(F)CCC[S@@](N)=O 675067736 537779267 /nfs/dbraw/zinc/77/92/67/537779267.db2.gz LZZCQWHEDWANRU-JTQLQIEISA-N 0 0 171.212 1.044 10 0 ADAERN CC(F)(F)CCC[S@](N)=O 675067737 537779342 /nfs/dbraw/zinc/77/93/42/537779342.db2.gz LZZCQWHEDWANRU-SNVBAGLBSA-N 0 0 171.212 1.044 10 0 ADAERN CC1CCC2(CC1)O[C@@H]1C[C@@H]1C2=O 675068996 537779480 /nfs/dbraw/zinc/77/94/80/537779480.db2.gz FWUZKNVKTRYTBS-UVCIYIGYSA-N 0 0 180.247 1.923 10 0 ADAERN N[S@@](=O)CC[C@@H]1C[C@H]1C1CC1 675068161 537779487 /nfs/dbraw/zinc/77/94/87/537779487.db2.gz UPFOPNHSBTWIDS-FYBVGQRMSA-N 0 0 173.281 1.045 10 0 ADAERN Cc1cc2nnc(Cl)n2c(C)n1 675068483 537779532 /nfs/dbraw/zinc/77/95/32/537779532.db2.gz YNCSRSMMTCTPJW-UHFFFAOYSA-N 0 0 182.614 1.395 10 0 ADAERN CC(C)CCC[S@@](N)=O 675068627 537779586 /nfs/dbraw/zinc/77/95/86/537779586.db2.gz RCGCIPFSQUEGPV-VIFPVBQESA-N 0 0 149.259 1.045 10 0 ADAERN O=C1[C@H]2C[C@H]2OC12CCCCC2 675069300 537780154 /nfs/dbraw/zinc/78/01/54/537780154.db2.gz GPVPQDQUCIHRFJ-JGVFFNPUSA-N 0 0 166.220 1.677 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)O[C@@H]1C[C@@H]1C2=O 675069291 537780184 /nfs/dbraw/zinc/78/01/84/537780184.db2.gz GOMANJPQSWKGLU-PKIKSRDPSA-N 0 0 180.247 1.923 10 0 ADAERN Cn1ncc(N)c1-c1nccs1 675070083 537780472 /nfs/dbraw/zinc/78/04/72/537780472.db2.gz LHSBYNHXPWMCAR-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN O=C1[C@@H]2C[C@@H]2OC12CCCCC2 675069301 537780614 /nfs/dbraw/zinc/78/06/14/537780614.db2.gz GPVPQDQUCIHRFJ-SFYZADRCSA-N 0 0 166.220 1.677 10 0 ADAERN C[C@H]1CCC[C@]2(C1)OCCC2=O 675070335 537780624 /nfs/dbraw/zinc/78/06/24/537780624.db2.gz OMHYANFRZRNCKD-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)OCCC2=O 675070334 537780846 /nfs/dbraw/zinc/78/08/46/537780846.db2.gz OMHYANFRZRNCKD-SCZZXKLOSA-N 0 0 168.236 1.925 10 0 ADAERN N[S@](=O)CC12CCC(CC1)CC2 675070439 537781021 /nfs/dbraw/zinc/78/10/21/537781021.db2.gz ABLCRZDFCOZVBV-SHVIVCPWSA-N 0 0 187.308 1.579 10 0 ADAERN Cc1noc(C)c1-c1c(N)cnn1C 675069989 537781161 /nfs/dbraw/zinc/78/11/61/537781161.db2.gz KHDYSSQXONOEEL-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN C[C@H]1CCC[C@@]2(C1)OCCC2=O 675070336 537781194 /nfs/dbraw/zinc/78/11/94/537781194.db2.gz OMHYANFRZRNCKD-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)O[C@H]1C[C@H]1C2=O 675069292 537781202 /nfs/dbraw/zinc/78/12/02/537781202.db2.gz GOMANJPQSWKGLU-SDNRWEOFSA-N 0 0 180.247 1.923 10 0 ADAERN Cc1cncc(-c2c(N)cnn2C)c1 675069814 537781272 /nfs/dbraw/zinc/78/12/72/537781272.db2.gz IMXDVADQCLVWIJ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)OCCC2=O 675070333 537781363 /nfs/dbraw/zinc/78/13/63/537781363.db2.gz OMHYANFRZRNCKD-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN CC1CCC2(CC1)OCCC2=O 675069365 537781576 /nfs/dbraw/zinc/78/15/76/537781576.db2.gz HFWAVRZFRFAYNQ-UHFFFAOYSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1cnccc1-c1c(N)cnn1C 675070338 537781765 /nfs/dbraw/zinc/78/17/65/537781765.db2.gz ONJKAOACJYBOOW-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN N[S@@](=O)CC12CCC(CC1)CC2 675070436 537781780 /nfs/dbraw/zinc/78/17/80/537781780.db2.gz ABLCRZDFCOZVBV-KWPJZBAWSA-N 0 0 187.308 1.579 10 0 ADAERN Cn1ncc(N)c1-c1ccc(F)nc1 675069310 537781812 /nfs/dbraw/zinc/78/18/12/537781812.db2.gz GVLUUZOSWOPRBW-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN C[C@@H](C[S@@](N)=O)CC(F)(F)F 675071072 537783081 /nfs/dbraw/zinc/78/30/81/537783081.db2.gz GMEWLCUFZNSDRT-IBDLBZOISA-N 0 0 189.202 1.197 10 0 ADAERN CCCC[C@@H](C)[S@@](N)=O 675072058 537787623 /nfs/dbraw/zinc/78/76/23/537787623.db2.gz WDIMHOXVPMGPEK-MUWHJKNJSA-N 0 0 149.259 1.188 10 0 ADAERN C[C@@H](C[S@@](N)=O)C(C)(C)C 675070492 537783150 /nfs/dbraw/zinc/78/31/50/537783150.db2.gz AOQGMXBSXFJRFM-WKEGUHRASA-N 0 0 163.286 1.291 10 0 ADAERN C[C@@H](C[S@](N)=O)CC(F)(F)F 675071073 537783197 /nfs/dbraw/zinc/78/31/97/537783197.db2.gz GMEWLCUFZNSDRT-IOHHNLJHSA-N 0 0 189.202 1.197 10 0 ADAERN N[S@](=O)C[C@@H]1CCCC(F)(F)C1 675070586 537783512 /nfs/dbraw/zinc/78/35/12/537783512.db2.gz BKRFXBCYHWPLKI-SREIQFSDSA-N 0 0 197.250 1.434 10 0 ADAERN CC(C)(C)CC[S@@](N)=O 675070786 537783578 /nfs/dbraw/zinc/78/35/78/537783578.db2.gz CPHJPUXVKHSRHY-VIFPVBQESA-N 0 0 149.259 1.045 10 0 ADAERN N[S@@](=O)C[C@H]1CCCC1(F)F 675070592 537783634 /nfs/dbraw/zinc/78/36/34/537783634.db2.gz BKUBTFOQOAGKFP-GCXOYZPQSA-N 0 0 183.223 1.044 10 0 ADAERN C[C@H](C[S@@](N)=O)C(C)(C)C 675070489 537783668 /nfs/dbraw/zinc/78/36/68/537783668.db2.gz AOQGMXBSXFJRFM-LDWIPMOCSA-N 0 0 163.286 1.291 10 0 ADAERN N[S@@](=O)C[C@@H]1CCCC1(F)F 675070591 537783678 /nfs/dbraw/zinc/78/36/78/537783678.db2.gz BKUBTFOQOAGKFP-DYEAUMGKSA-N 0 0 183.223 1.044 10 0 ADAERN N[S@@](=O)CC1(C(F)F)CCC1 675071063 537783698 /nfs/dbraw/zinc/78/36/98/537783698.db2.gz GJKXRHRGASYSBS-NSHDSACASA-N 0 0 183.223 1.044 10 0 ADAERN N[S@](=O)C[C@H]1CCCC1(F)F 675070587 537783829 /nfs/dbraw/zinc/78/38/29/537783829.db2.gz BKUBTFOQOAGKFP-BLTYZCFWSA-N 0 0 183.223 1.044 10 0 ADAERN N[S@](=O)CC1(C(F)F)CCC1 675071062 537783905 /nfs/dbraw/zinc/78/39/05/537783905.db2.gz GJKXRHRGASYSBS-LLVKDONJSA-N 0 0 183.223 1.044 10 0 ADAERN N[S@@](=O)CC1(F)CCCCCC1 675071314 537785504 /nfs/dbraw/zinc/78/55/04/537785504.db2.gz JPZQWBFATOCVFG-LBPRGKRZSA-N 0 0 193.287 1.671 10 0 ADAERN N[S@@](=O)C[C@H]1CCCC(F)(F)C1 675070584 537783984 /nfs/dbraw/zinc/78/39/84/537783984.db2.gz BKRFXBCYHWPLKI-QTTZVWFDSA-N 0 0 197.250 1.434 10 0 ADAERN CCCC(CCC)[S@@](N)=O 675071112 537783950 /nfs/dbraw/zinc/78/39/50/537783950.db2.gz HNNVMHKNCFYVJL-JTQLQIEISA-N 0 0 163.286 1.578 10 0 ADAERN CCC[C@H](CC)[S@](N)=O 675070967 537784034 /nfs/dbraw/zinc/78/40/34/537784034.db2.gz GDRLVUPVRZRTGO-IMTBSYHQSA-N 0 0 149.259 1.188 10 0 ADAERN Cn1ncc(N)c1-c1cccc(N)c1 675070977 537784095 /nfs/dbraw/zinc/78/40/95/537784095.db2.gz VAXBKEOZYAUQEE-UHFFFAOYSA-N 0 0 188.234 1.252 10 0 ADAERN Cc1cc(-c2c(N)cnn2C)ccn1 675070618 537784375 /nfs/dbraw/zinc/78/43/75/537784375.db2.gz QEPYPHOIBLJWGB-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCC[C@H](CC)[S@@](N)=O 675070971 537784409 /nfs/dbraw/zinc/78/44/09/537784409.db2.gz GDRLVUPVRZRTGO-RCOVLWMOSA-N 0 0 149.259 1.188 10 0 ADAERN C[C@H](C[S@](N)=O)C(C)(C)C 675070490 537784429 /nfs/dbraw/zinc/78/44/29/537784429.db2.gz AOQGMXBSXFJRFM-LHLIQPBNSA-N 0 0 163.286 1.291 10 0 ADAERN N[S@@](=O)CCC1CCCCC1 675071346 537784441 /nfs/dbraw/zinc/78/44/41/537784441.db2.gz KBBBXDTWGUYAAR-NSHDSACASA-N 0 0 175.297 1.579 10 0 ADAERN N[S@](=O)CC1(F)CCCCCC1 675071313 537784389 /nfs/dbraw/zinc/78/43/89/537784389.db2.gz JPZQWBFATOCVFG-GFCCVEGCSA-N 0 0 193.287 1.671 10 0 ADAERN N[S@@](=O)C[C@@H]1CCCC(F)(F)C1 675070578 537784480 /nfs/dbraw/zinc/78/44/80/537784480.db2.gz BKRFXBCYHWPLKI-INWYIAFRSA-N 0 0 197.250 1.434 10 0 ADAERN N[S@](=O)CC1(F)CCCCC1 675070495 537784507 /nfs/dbraw/zinc/78/45/07/537784507.db2.gz ARFDYOJULDEIAR-LLVKDONJSA-N 0 0 179.260 1.281 10 0 ADAERN Cn1ncc(N)c1-c1ccc(C=O)o1 675071185 537784593 /nfs/dbraw/zinc/78/45/93/537784593.db2.gz WYORODAHFSXIER-UHFFFAOYSA-N 0 0 191.190 1.075 10 0 ADAERN N[S@](=O)C[C@@H]1CCCC1(F)F 675070593 537784638 /nfs/dbraw/zinc/78/46/38/537784638.db2.gz BKUBTFOQOAGKFP-ULHQUTTKSA-N 0 0 183.223 1.044 10 0 ADAERN CCC(C)(C)CC[S@](N)=O 675071115 537784758 /nfs/dbraw/zinc/78/47/58/537784758.db2.gz HOPPNFBORVAHSA-SNVBAGLBSA-N 0 0 163.286 1.435 10 0 ADAERN C[C@H](C[S@@](N)=O)CC(F)(F)F 675071071 537784732 /nfs/dbraw/zinc/78/47/32/537784732.db2.gz GMEWLCUFZNSDRT-AUIPBDMJSA-N 0 0 189.202 1.197 10 0 ADAERN N[S@](=O)CCC1CCCCC1 675071345 537784868 /nfs/dbraw/zinc/78/48/68/537784868.db2.gz KBBBXDTWGUYAAR-LLVKDONJSA-N 0 0 175.297 1.579 10 0 ADAERN N[S@@](=O)CC1(F)CCCCC1 675070496 537784878 /nfs/dbraw/zinc/78/48/78/537784878.db2.gz ARFDYOJULDEIAR-NSHDSACASA-N 0 0 179.260 1.281 10 0 ADAERN CCC[C@@H](CC)[S@@](N)=O 675070970 537784916 /nfs/dbraw/zinc/78/49/16/537784916.db2.gz GDRLVUPVRZRTGO-MUWHJKNJSA-N 0 0 149.259 1.188 10 0 ADAERN CCCC(CCC)[S@](N)=O 675071113 537784966 /nfs/dbraw/zinc/78/49/66/537784966.db2.gz HNNVMHKNCFYVJL-SNVBAGLBSA-N 0 0 163.286 1.578 10 0 ADAERN CC1(C[S@](N)=O)CCCCC1 675070983 537785215 /nfs/dbraw/zinc/78/52/15/537785215.db2.gz GFVGANCJAUOUMN-LLVKDONJSA-N 0 0 175.297 1.579 10 0 ADAERN CC(C)(C)CC[S@](N)=O 675070784 537785245 /nfs/dbraw/zinc/78/52/45/537785245.db2.gz CPHJPUXVKHSRHY-SECBINFHSA-N 0 0 149.259 1.045 10 0 ADAERN CC1(C[S@@](N)=O)CCCCC1 675070984 537785346 /nfs/dbraw/zinc/78/53/46/537785346.db2.gz GFVGANCJAUOUMN-NSHDSACASA-N 0 0 175.297 1.579 10 0 ADAERN C[C@@H](C[S@](N)=O)C(C)(C)C 675070491 537785364 /nfs/dbraw/zinc/78/53/64/537785364.db2.gz AOQGMXBSXFJRFM-QUBYGPBYSA-N 0 0 163.286 1.291 10 0 ADAERN C[C@H](C[S@](N)=O)CC(F)(F)F 675071070 537785378 /nfs/dbraw/zinc/78/53/78/537785378.db2.gz GMEWLCUFZNSDRT-AQPAIEDISA-N 0 0 189.202 1.197 10 0 ADAERN CCC(C)(C)CC[S@@](N)=O 675071114 537785421 /nfs/dbraw/zinc/78/54/21/537785421.db2.gz HOPPNFBORVAHSA-JTQLQIEISA-N 0 0 163.286 1.435 10 0 ADAERN N[S@](=O)C[C@H]1CCCC(F)(F)C1 675070582 537785528 /nfs/dbraw/zinc/78/55/28/537785528.db2.gz BKRFXBCYHWPLKI-PWCHPLFNSA-N 0 0 197.250 1.434 10 0 ADAERN CCC[C@@H](CC)[S@](N)=O 675070966 537785542 /nfs/dbraw/zinc/78/55/42/537785542.db2.gz GDRLVUPVRZRTGO-HZGVNTEJSA-N 0 0 149.259 1.188 10 0 ADAERN CC(C)C(C)(C)C[S@@](N)=O 675071952 537785764 /nfs/dbraw/zinc/78/57/64/537785764.db2.gz UOZSBQNRJYLUFU-JTQLQIEISA-N 0 0 163.286 1.291 10 0 ADAERN CC(C)(CC[S@](N)=O)C1CC1 675071653 537785782 /nfs/dbraw/zinc/78/57/82/537785782.db2.gz OPSDDNFSKCAYLY-LLVKDONJSA-N 0 0 175.297 1.435 10 0 ADAERN N[S@](=O)CC1CCC(F)(F)CC1 675071611 537785828 /nfs/dbraw/zinc/78/58/28/537785828.db2.gz OBMFIQOSLXUPKS-GFCCVEGCSA-N 0 0 197.250 1.434 10 0 ADAERN N[S@](=O)CC1(C(F)F)CCCC1 675071563 537785838 /nfs/dbraw/zinc/78/58/38/537785838.db2.gz NIIDRODMIZDEMS-GFCCVEGCSA-N 0 0 197.250 1.434 10 0 ADAERN CC1(C)CCC([S@@](N)=O)CC1 675071418 537785743 /nfs/dbraw/zinc/78/57/43/537785743.db2.gz LGCAHEGRSRMYNJ-NSHDSACASA-N 0 0 175.297 1.578 10 0 ADAERN N[S@@](=O)CC12CCC(CC1)C2 675071810 537785882 /nfs/dbraw/zinc/78/58/82/537785882.db2.gz RHFVRBWYHIVJTA-AYVLWNQUSA-N 0 0 173.281 1.189 10 0 ADAERN N[S@](=O)CC1CCC(F)CC1 675071825 537786037 /nfs/dbraw/zinc/78/60/37/537786037.db2.gz ROGUTBHDILOEED-UAAUVXIDSA-N 0 0 179.260 1.137 10 0 ADAERN CCC(F)(F)C(C)(C)C[S@](N)=O 675071866 537786054 /nfs/dbraw/zinc/78/60/54/537786054.db2.gz SKYMNGXBWRWTJD-GFCCVEGCSA-N 0 0 199.266 1.680 10 0 ADAERN N[S@](=O)[C@@H]1CCCCCC[C@@H]1F 675071913 537786104 /nfs/dbraw/zinc/78/61/04/537786104.db2.gz UDLSWUOYZQOHLV-JOAULVNJSA-N 0 0 193.287 1.670 10 0 ADAERN CC(C)(CC[S@@](N)=O)C1CC1 675071654 537786090 /nfs/dbraw/zinc/78/60/90/537786090.db2.gz OPSDDNFSKCAYLY-NSHDSACASA-N 0 0 175.297 1.435 10 0 ADAERN N[S@@](=O)CCC1CCCC1 675072121 537786096 /nfs/dbraw/zinc/78/60/96/537786096.db2.gz YCIDXINQCSKQDO-JTQLQIEISA-N 0 0 161.270 1.189 10 0 ADAERN N[S@@](=O)C[C@H]1CCCCC1(F)F 675071788 537786159 /nfs/dbraw/zinc/78/61/59/537786159.db2.gz QYBBFDJPXSXSFH-INWYIAFRSA-N 0 0 197.250 1.434 10 0 ADAERN CCCC[C@H](C)[S@@](N)=O 675072059 537786195 /nfs/dbraw/zinc/78/61/95/537786195.db2.gz WDIMHOXVPMGPEK-RCOVLWMOSA-N 0 0 149.259 1.188 10 0 ADAERN N[S@@](=O)C[C@@H]1CCC(F)(F)C1 675072119 537786152 /nfs/dbraw/zinc/78/61/52/537786152.db2.gz XZULDMMOTRILHX-GCXOYZPQSA-N 0 0 183.223 1.044 10 0 ADAERN CCC(C)(C)C[S@](N)=O 675071655 537786215 /nfs/dbraw/zinc/78/62/15/537786215.db2.gz OQLKOZKLZAYHDJ-SECBINFHSA-N 0 0 149.259 1.045 10 0 ADAERN CC(C)(C)CCC[S@@](N)=O 675071659 537786315 /nfs/dbraw/zinc/78/63/15/537786315.db2.gz ORSOWTUSUVEYCM-JTQLQIEISA-N 0 0 163.286 1.435 10 0 ADAERN CCCC[C@@H](C)[S@](N)=O 675072056 537786398 /nfs/dbraw/zinc/78/63/98/537786398.db2.gz WDIMHOXVPMGPEK-HZGVNTEJSA-N 0 0 149.259 1.188 10 0 ADAERN N[S@](=O)[C@@H]1CCCCC[C@@H]1F 675072084 537786427 /nfs/dbraw/zinc/78/64/27/537786427.db2.gz XJEJBBCJEFJPED-MVKOHCKWSA-N 0 0 179.260 1.280 10 0 ADAERN N[S@@](=O)C1CCCCCC1 675072092 537786537 /nfs/dbraw/zinc/78/65/37/537786537.db2.gz XKNMRRXUKBOSFZ-JTQLQIEISA-N 0 0 161.270 1.332 10 0 ADAERN CC1(C)CC(C[S@@](N)=O)C1 675071715 537786584 /nfs/dbraw/zinc/78/65/84/537786584.db2.gz PGHFZVIJMZFYSZ-JTQLQIEISA-N 0 0 161.270 1.045 10 0 ADAERN N[S@](=O)C[C@@H]1CCC(F)(F)C1 675072117 537786600 /nfs/dbraw/zinc/78/66/00/537786600.db2.gz XZULDMMOTRILHX-BLTYZCFWSA-N 0 0 183.223 1.044 10 0 ADAERN N[S@](=O)CCC1CCCC1 675072122 537786642 /nfs/dbraw/zinc/78/66/42/537786642.db2.gz YCIDXINQCSKQDO-SNVBAGLBSA-N 0 0 161.270 1.189 10 0 ADAERN CC(C)C(C)(C)C[S@](N)=O 675071953 537786619 /nfs/dbraw/zinc/78/66/19/537786619.db2.gz UOZSBQNRJYLUFU-SNVBAGLBSA-N 0 0 163.286 1.291 10 0 ADAERN CC(F)(F)C(C)(C)C[S@](N)=O 675071565 537786733 /nfs/dbraw/zinc/78/67/33/537786733.db2.gz NIIQFEWJSKPMKC-LLVKDONJSA-N 0 0 185.239 1.290 10 0 ADAERN N[S@](=O)[C@H]1CCCCCC[C@H]1F 675071914 537786754 /nfs/dbraw/zinc/78/67/54/537786754.db2.gz UDLSWUOYZQOHLV-RGNHYFCHSA-N 0 0 193.287 1.670 10 0 ADAERN CC1(C)CCC([S@](N)=O)CC1 675071417 537786839 /nfs/dbraw/zinc/78/68/39/537786839.db2.gz LGCAHEGRSRMYNJ-LLVKDONJSA-N 0 0 175.297 1.578 10 0 ADAERN N[S@](=O)C1CCC(F)(F)CC1 675071996 537786849 /nfs/dbraw/zinc/78/68/49/537786849.db2.gz VFYPXNSTMPNJNT-LLVKDONJSA-N 0 0 183.223 1.187 10 0 ADAERN N[S@@](=O)C[C@H]1CCC(F)(F)C1 675072118 537786901 /nfs/dbraw/zinc/78/69/01/537786901.db2.gz XZULDMMOTRILHX-DYEAUMGKSA-N 0 0 183.223 1.044 10 0 ADAERN N[S@](=O)CC12CCC(CC1)C2 675071811 537786964 /nfs/dbraw/zinc/78/69/64/537786964.db2.gz RHFVRBWYHIVJTA-OIAXGBPSSA-N 0 0 173.281 1.189 10 0 ADAERN N[S@](=O)[C@@H]1CCCCC[C@H]1F 675072086 537787095 /nfs/dbraw/zinc/78/70/95/537787095.db2.gz XJEJBBCJEFJPED-OPVBNTEQSA-N 0 0 179.260 1.280 10 0 ADAERN CC(C)(C)CCC[S@](N)=O 675071660 537787117 /nfs/dbraw/zinc/78/71/17/537787117.db2.gz ORSOWTUSUVEYCM-SNVBAGLBSA-N 0 0 163.286 1.435 10 0 ADAERN Nc1cnc2[nH]ccc2c1C1CC1 675072210 537787241 /nfs/dbraw/zinc/78/72/41/537787241.db2.gz AOLAFQYETVJQQX-UHFFFAOYSA-N 0 0 173.219 1.974 10 0 ADAERN N[S@](=O)[C@H]1CCCCC[C@@H]1F 675072085 537787317 /nfs/dbraw/zinc/78/73/17/537787317.db2.gz XJEJBBCJEFJPED-OKTBNZSVSA-N 0 0 179.260 1.280 10 0 ADAERN CC1CCC([S@@](N)=O)CC1 675071492 537787324 /nfs/dbraw/zinc/78/73/24/537787324.db2.gz MFJIWZAAXODWTI-QIMWKCOFSA-N 0 0 161.270 1.188 10 0 ADAERN N[S@@](=O)CC1CCC(F)(F)CC1 675071612 537787334 /nfs/dbraw/zinc/78/73/34/537787334.db2.gz OBMFIQOSLXUPKS-LBPRGKRZSA-N 0 0 197.250 1.434 10 0 ADAERN N[S@](=O)C[C@@H]1CCCCC1(F)F 675071789 537787376 /nfs/dbraw/zinc/78/73/76/537787376.db2.gz QYBBFDJPXSXSFH-PWCHPLFNSA-N 0 0 197.250 1.434 10 0 ADAERN CCCC[C@H](C)[S@](N)=O 675072057 537787423 /nfs/dbraw/zinc/78/74/23/537787423.db2.gz WDIMHOXVPMGPEK-IMTBSYHQSA-N 0 0 149.259 1.188 10 0 ADAERN CC1CCC([S@](N)=O)CC1 675071491 537787536 /nfs/dbraw/zinc/78/75/36/537787536.db2.gz MFJIWZAAXODWTI-HNQUHTCLSA-N 0 0 161.270 1.188 10 0 ADAERN N[S@](=O)C[C@H]1CCCCC1(F)F 675071791 537787565 /nfs/dbraw/zinc/78/75/65/537787565.db2.gz QYBBFDJPXSXSFH-SREIQFSDSA-N 0 0 197.250 1.434 10 0 ADAERN N[S@@](=O)C1CCC(F)(F)CC1 675071997 537787615 /nfs/dbraw/zinc/78/76/15/537787615.db2.gz VFYPXNSTMPNJNT-NSHDSACASA-N 0 0 183.223 1.187 10 0 ADAERN N[S@@](=O)CC1(C(F)F)CCCC1 675071564 537787634 /nfs/dbraw/zinc/78/76/34/537787634.db2.gz NIIDRODMIZDEMS-LBPRGKRZSA-N 0 0 197.250 1.434 10 0 ADAERN N[S@](=O)C[C@H]1CCC(F)(F)C1 675072120 537787658 /nfs/dbraw/zinc/78/76/58/537787658.db2.gz XZULDMMOTRILHX-ULHQUTTKSA-N 0 0 183.223 1.044 10 0 ADAERN N[S@](=O)[C@H]1CCCCC[C@H]1F 675072087 537787677 /nfs/dbraw/zinc/78/76/77/537787677.db2.gz XJEJBBCJEFJPED-PTZCXBDSSA-N 0 0 179.260 1.280 10 0 ADAERN N[S@](=O)[C@H]1CCCCCC[C@@H]1F 675071915 537787744 /nfs/dbraw/zinc/78/77/44/537787744.db2.gz UDLSWUOYZQOHLV-YVZVNANGSA-N 0 0 193.287 1.670 10 0 ADAERN CC(F)(F)C(C)(C)C[S@@](N)=O 675071566 537787850 /nfs/dbraw/zinc/78/78/50/537787850.db2.gz NIIQFEWJSKPMKC-NSHDSACASA-N 0 0 185.239 1.290 10 0 ADAERN CCC[C@@H]1CC=NN1 32215895 537787855 /nfs/dbraw/zinc/78/78/55/537787855.db2.gz YJMMTFQSMKYWSB-ZCFIWIBFSA-N 0 0 112.176 1.134 10 0 ADAERN CC1(C)CC(C[S@](N)=O)C1 675071716 537787924 /nfs/dbraw/zinc/78/79/24/537787924.db2.gz PGHFZVIJMZFYSZ-SNVBAGLBSA-N 0 0 161.270 1.045 10 0 ADAERN N[S@@](=O)CC1CCC(F)CC1 675071824 537787932 /nfs/dbraw/zinc/78/79/32/537787932.db2.gz ROGUTBHDILOEED-OGIFLDNPSA-N 0 0 179.260 1.137 10 0 ADAERN CCC(C)(C)C[S@@](N)=O 675071656 537787975 /nfs/dbraw/zinc/78/79/75/537787975.db2.gz OQLKOZKLZAYHDJ-VIFPVBQESA-N 0 0 149.259 1.045 10 0 ADAERN N[S@](=O)[C@@H]1CCCCCC[C@H]1F 675071912 537788241 /nfs/dbraw/zinc/78/82/41/537788241.db2.gz UDLSWUOYZQOHLV-DNSOKLHBSA-N 0 0 193.287 1.670 10 0 ADAERN N[S@@](=O)C[C@@H]1CCCCC1(F)F 675071790 537788260 /nfs/dbraw/zinc/78/82/60/537788260.db2.gz QYBBFDJPXSXSFH-QTTZVWFDSA-N 0 0 197.250 1.434 10 0 ADAERN CCC(F)(F)C(C)(C)C[S@@](N)=O 675071867 537788315 /nfs/dbraw/zinc/78/83/15/537788315.db2.gz SKYMNGXBWRWTJD-LBPRGKRZSA-N 0 0 199.266 1.680 10 0 ADAERN CC(=O)Nc1cc(F)c(F)cc1C=O 675073891 537788733 /nfs/dbraw/zinc/78/87/33/537788733.db2.gz OKFNRWMFRRBUCB-UHFFFAOYSA-N 0 0 199.156 1.736 10 0 ADAERN NC(=S)C[C@@H]1CCC2(CCC2)O1 675072335 537788923 /nfs/dbraw/zinc/78/89/23/537788923.db2.gz DCXQKCJSXNQQSV-ZETCQYMHSA-N 0 0 185.292 1.764 10 0 ADAERN C1CCc2c(nnn2NCC2CC2)C1 675073600 537789056 /nfs/dbraw/zinc/78/90/56/537789056.db2.gz QQYFPVZIXQARND-UHFFFAOYSA-N 0 0 192.266 1.110 10 0 ADAERN CC[C@H](C)CNn1nnc2c1CCC2 675072559 537789119 /nfs/dbraw/zinc/78/91/19/537789119.db2.gz FFYVJUXSQZEVHW-QMMMGPOBSA-N 0 0 194.282 1.356 10 0 ADAERN CC1CCC2(CC1)C[NH2+][C@H](C(=O)[O-])C2 675073745 537789145 /nfs/dbraw/zinc/78/91/45/537789145.db2.gz MXJXOVSOHNKHAV-YUCVTWSNSA-N 0 0 197.278 1.629 10 0 ADAERN CCC[C@H]1CC=NN1 32215898 537789180 /nfs/dbraw/zinc/78/91/80/537789180.db2.gz YJMMTFQSMKYWSB-LURJTMIESA-N 0 0 112.176 1.134 10 0 ADAERN C[C@@H]1CCC[C@@](O)(C(F)(F)CN)C1 675073539 537789344 /nfs/dbraw/zinc/78/93/44/537789344.db2.gz KYWLAKBXXUZFMX-SFYZADRCSA-N 0 0 193.237 1.522 10 0 ADAERN CC1CCC2(CC1)C[NH2+][C@@H](C(=O)[O-])C2 675073742 537789517 /nfs/dbraw/zinc/78/95/17/537789517.db2.gz MXJXOVSOHNKHAV-INWMGODYSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1nnn(NCCC(C)C)c1C 675073811 537789564 /nfs/dbraw/zinc/78/95/64/537789564.db2.gz UJGGAOMNBCGVTE-UHFFFAOYSA-N 0 0 182.271 1.485 10 0 ADAERN FC1(F)C[C@@H]1c1cnn2cccnc12 675072349 537789610 /nfs/dbraw/zinc/78/96/10/537789610.db2.gz DITTYQDLXGXWNZ-SSDOTTSWSA-N 0 0 195.172 1.852 10 0 ADAERN CC1CCC(O)(C(F)(F)CN)CC1 675073321 537789620 /nfs/dbraw/zinc/78/96/20/537789620.db2.gz IVIJAQZAILYGEU-UHFFFAOYSA-N 0 0 193.237 1.522 10 0 ADAERN Cc1nnn(NCC2CCCC2)c1C 675074185 537789714 /nfs/dbraw/zinc/78/97/14/537789714.db2.gz YVZFLHWZRABLLT-UHFFFAOYSA-N 0 0 194.282 1.629 10 0 ADAERN Cc1nnn(NCC(C)C)c1C 675072770 537789776 /nfs/dbraw/zinc/78/97/76/537789776.db2.gz HLWJHZALEFNCQT-UHFFFAOYSA-N 0 0 168.244 1.094 10 0 ADAERN CC[C@@H](C)CNn1nnc(C)c1C 675072757 537789853 /nfs/dbraw/zinc/78/98/53/537789853.db2.gz HENMEZLLGMTKQC-SSDOTTSWSA-N 0 0 182.271 1.485 10 0 ADAERN O=C([O-])c1cc2c(cc1F)CC[NH2+]C2 675073594 537789931 /nfs/dbraw/zinc/78/99/31/537789931.db2.gz MCUPXLXCSCDHJK-UHFFFAOYSA-N 0 0 195.193 1.170 10 0 ADAERN FC1(F)C[C@H]1c1cnn2cccnc12 675072351 537790136 /nfs/dbraw/zinc/79/01/36/537790136.db2.gz DITTYQDLXGXWNZ-ZETCQYMHSA-N 0 0 195.172 1.852 10 0 ADAERN CC(C)CNn1nnc2c1CCCC2 675073301 537790228 /nfs/dbraw/zinc/79/02/28/537790228.db2.gz MKYKINUZJLIMEN-UHFFFAOYSA-N 0 0 194.282 1.356 10 0 ADAERN C[C@@H]1CCC[C@](O)(C(F)(F)CN)C1 675073536 537790278 /nfs/dbraw/zinc/79/02/78/537790278.db2.gz KYWLAKBXXUZFMX-HTQZYQBOSA-N 0 0 193.237 1.522 10 0 ADAERN CCCNn1nnc2c1CCCC2 675073599 537790331 /nfs/dbraw/zinc/79/03/31/537790331.db2.gz QQBMZLWJMWDXKG-UHFFFAOYSA-N 0 0 180.255 1.110 10 0 ADAERN C[C@H]1CCC[C@](O)(C(F)(F)CN)C1 675073537 537790384 /nfs/dbraw/zinc/79/03/84/537790384.db2.gz KYWLAKBXXUZFMX-JGVFFNPUSA-N 0 0 193.237 1.522 10 0 ADAERN CCc1c(N)cnc2[nH]ccc12 675073047 537790575 /nfs/dbraw/zinc/79/05/75/537790575.db2.gz PYIANOKVGZWRHU-UHFFFAOYSA-N 0 0 161.208 1.659 10 0 ADAERN CC[C@H](C)CNn1nnc(C)c1C 675072758 537790642 /nfs/dbraw/zinc/79/06/42/537790642.db2.gz HENMEZLLGMTKQC-ZETCQYMHSA-N 0 0 182.271 1.485 10 0 ADAERN Fc1ccc2c(n1)OC(F)(F)O2 675074238 537790647 /nfs/dbraw/zinc/79/06/47/537790647.db2.gz RYVLVLRLYIWIFO-UHFFFAOYSA-N 0 0 177.081 1.542 10 0 ADAERN CNC(=O)c1ccc(C)cc1OC 34627058 537790813 /nfs/dbraw/zinc/79/08/13/537790813.db2.gz BYDRTPRWAHNWFR-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN CC[C@@H](C)CNn1nnc2c1CCC2 675072557 537790839 /nfs/dbraw/zinc/79/08/39/537790839.db2.gz FFYVJUXSQZEVHW-MRVPVSSYSA-N 0 0 194.282 1.356 10 0 ADAERN NC(=S)C[C@H]1CCC2(CCC2)O1 675072331 537790862 /nfs/dbraw/zinc/79/08/62/537790862.db2.gz DCXQKCJSXNQQSV-SSDOTTSWSA-N 0 0 185.292 1.764 10 0 ADAERN CC(C)CCNn1nnc2c1CCC2 675073716 537790883 /nfs/dbraw/zinc/79/08/83/537790883.db2.gz SXLMZHCPZAZHKL-UHFFFAOYSA-N 0 0 194.282 1.356 10 0 ADAERN CCCCCS(C)(=O)=O 34079640 537791027 /nfs/dbraw/zinc/79/10/27/537791027.db2.gz GUBNFBYCBZWEES-UHFFFAOYSA-N 0 0 150.243 1.221 10 0 ADAERN CC(=O)Nc1cccc(C)c1C=O 675072646 537791157 /nfs/dbraw/zinc/79/11/57/537791157.db2.gz BQCJQTJOYXWHHT-UHFFFAOYSA-N 0 0 177.203 1.766 10 0 ADAERN C[C@H]1CCC[C@@](O)(C(F)(F)CN)C1 675073541 537791165 /nfs/dbraw/zinc/79/11/65/537791165.db2.gz KYWLAKBXXUZFMX-YUMQZZPRSA-N 0 0 193.237 1.522 10 0 ADAERN Cc1nc(C)c(CN2CCOCC2)o1 34638993 537791325 /nfs/dbraw/zinc/79/13/25/537791325.db2.gz KHJCKBJTJZOPOM-UHFFFAOYSA-N 0 0 196.250 1.124 10 0 ADAERN CCCc1onc(C)c1C=O 675075721 537791835 /nfs/dbraw/zinc/79/18/35/537791835.db2.gz UPCQWMZREAICEH-UHFFFAOYSA-N 0 0 153.181 1.748 10 0 ADAERN Cc1noc(C(C)C)c1C=O 675075950 537792185 /nfs/dbraw/zinc/79/21/85/537792185.db2.gz XPHYZYCBLJEWCN-UHFFFAOYSA-N 0 0 153.181 1.919 10 0 ADAERN C[C@H]1CCc2cncnc2C1 34236306 537792212 /nfs/dbraw/zinc/79/22/12/537792212.db2.gz FSCYBLYYODSGFX-ZETCQYMHSA-N 0 0 148.209 1.601 10 0 ADAERN Cn1ccc(-c2cc(O)ccc2O)n1 675076451 537793102 /nfs/dbraw/zinc/79/31/02/537793102.db2.gz XEJSKWIAEXMWIO-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN CCOCCOc1ccc(C)nc1 34452560 537793232 /nfs/dbraw/zinc/79/32/32/537793232.db2.gz ZFZNGIPZUKTTBL-UHFFFAOYSA-N 0 0 181.235 1.805 10 0 ADAERN COC(=O)c1c(C2CC2)nsc1N 675075918 537793907 /nfs/dbraw/zinc/79/39/07/537793907.db2.gz GQQGGEIMUKNBMA-UHFFFAOYSA-N 0 0 198.247 1.389 10 0 ADAERN Cc1csc(C)c1S(N)(=O)=O 34599587 537794106 /nfs/dbraw/zinc/79/41/06/537794106.db2.gz WICSALYSMRRIOV-UHFFFAOYSA-N 0 0 191.277 1.012 10 0 ADAERN CCc1noc(C2CC2)c1C=O 675075442 537794650 /nfs/dbraw/zinc/79/46/50/537794650.db2.gz PDBMFVQSQXDURL-UHFFFAOYSA-N 0 0 165.192 1.927 10 0 ADAERN Cn1ccc(-c2ccc(O)cc2O)n1 675076722 537794912 /nfs/dbraw/zinc/79/49/12/537794912.db2.gz YWLCISHWFXFYLE-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN CCc1nsc(N)c1C(=O)OC 675076196 537795263 /nfs/dbraw/zinc/79/52/63/537795263.db2.gz JUWPFFQHGDUHLI-UHFFFAOYSA-N 0 0 186.236 1.074 10 0 ADAERN C[C@H](NCC(F)(F)F)[C@@H]1CCCO1 35735939 537799474 /nfs/dbraw/zinc/79/94/74/537799474.db2.gz QFLCBPJJTGPCJI-BQBZGAKWSA-N 0 0 197.200 1.706 10 0 ADAERN C[C@@H](CO)CNc1ccccc1 36436883 537800402 /nfs/dbraw/zinc/80/04/02/537800402.db2.gz RMZQWVOOUSCDCD-SECBINFHSA-N 0 0 165.236 1.727 10 0 ADAERN C[C@H](CO)CNc1ccccc1 36436882 537800654 /nfs/dbraw/zinc/80/06/54/537800654.db2.gz RMZQWVOOUSCDCD-VIFPVBQESA-N 0 0 165.236 1.727 10 0 ADAERN C[C@@H](NCC(F)(F)F)[C@@H]1CCCO1 35735940 537801663 /nfs/dbraw/zinc/80/16/63/537801663.db2.gz QFLCBPJJTGPCJI-RQJHMYQMSA-N 0 0 197.200 1.706 10 0 ADAERN CC(=O)[C@H]1CSC[C@H]1C 675079939 537806447 /nfs/dbraw/zinc/80/64/47/537806447.db2.gz KCBVTKBGXWXTKS-VDTYLAMSSA-N 0 0 144.239 1.575 10 0 ADAERN C[C@@H](NCC(F)(F)F)[C@H]1CCCO1 35735942 537802076 /nfs/dbraw/zinc/80/20/76/537802076.db2.gz QFLCBPJJTGPCJI-RNFRBKRXSA-N 0 0 197.200 1.706 10 0 ADAERN CCC[NH2+][C@H](CCC)C(=O)[O-] 36839028 537802091 /nfs/dbraw/zinc/80/20/91/537802091.db2.gz BBUDNDIZNVXSTG-SSDOTTSWSA-N 0 0 159.229 1.239 10 0 ADAERN CN(C)c1ccc2[nH]ccc(=O)c2c1 36335750 537802316 /nfs/dbraw/zinc/80/23/16/537802316.db2.gz HFQAGLMNNSVOPN-UHFFFAOYSA-N 0 0 188.230 1.594 10 0 ADAERN C[C@H](NCC(F)(F)F)[C@H]1CCCO1 35735941 537802361 /nfs/dbraw/zinc/80/23/61/537802361.db2.gz QFLCBPJJTGPCJI-NKWVEPMBSA-N 0 0 197.200 1.706 10 0 ADAERN CCOCCn1c(C)n[nH]c1=S 36230081 537802797 /nfs/dbraw/zinc/80/27/97/537802797.db2.gz UXVHSJBZWNQSQO-UHFFFAOYSA-N 0 0 187.268 1.286 10 0 ADAERN C[C@H]1CC[C@@]2(C1)OCCC2=O 675079841 537802882 /nfs/dbraw/zinc/80/28/82/537802882.db2.gz IGKQKEHFZNCZAT-CBAPKCEASA-N 0 0 154.209 1.535 10 0 ADAERN C[C@H]1C[C@]2(C[C@@H](C)O1)OCC[C@@H]2O 675080065 537802979 /nfs/dbraw/zinc/80/29/79/537802979.db2.gz KMZXRGLWDHSEMC-QCLAVDOMSA-N 0 0 186.251 1.094 10 0 ADAERN CC1CCC2(CC1)OCC[C@H]2O 675079662 537802998 /nfs/dbraw/zinc/80/29/98/537802998.db2.gz GIQWWXVSYMBZQA-HWOCKDDLSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@H]1C[C@]2(C[C@@H](C)O1)OCCC2=O 675079623 537803199 /nfs/dbraw/zinc/80/31/99/537803199.db2.gz FPOABCAXLJHRMD-MBTKJCJQSA-N 0 0 184.235 1.302 10 0 ADAERN CCC[NH2+][C@@H](CCC)C(=O)[O-] 36839026 537803260 /nfs/dbraw/zinc/80/32/60/537803260.db2.gz BBUDNDIZNVXSTG-ZETCQYMHSA-N 0 0 159.229 1.239 10 0 ADAERN CCCC[NH2+][C@@H](CCC)C(=O)[O-] 36839103 537803598 /nfs/dbraw/zinc/80/35/98/537803598.db2.gz PFPDUTBFECFJAZ-QMMMGPOBSA-N 0 0 173.256 1.629 10 0 ADAERN CC(=O)[C@@H]1CSC[C@@H]1C 675079931 537803608 /nfs/dbraw/zinc/80/36/08/537803608.db2.gz KCBVTKBGXWXTKS-CAHLUQPWSA-N 0 0 144.239 1.575 10 0 ADAERN C[C@H]1C[C@]2(C[C@@H](C)O1)OCC[C@H]2O 675080066 537803693 /nfs/dbraw/zinc/80/36/93/537803693.db2.gz KMZXRGLWDHSEMC-RGOKHQFPSA-N 0 0 186.251 1.094 10 0 ADAERN C[C@@H]1CC[C@]2(C1)OCCC2=O 675079844 537804184 /nfs/dbraw/zinc/80/41/84/537804184.db2.gz IGKQKEHFZNCZAT-VXNVDRBHSA-N 0 0 154.209 1.535 10 0 ADAERN CC(=O)[C@@H]1CSC[C@H]1C 675079937 537804327 /nfs/dbraw/zinc/80/43/27/537804327.db2.gz KCBVTKBGXWXTKS-IYSWYEEDSA-N 0 0 144.239 1.575 10 0 ADAERN C[C@H]1C[C@@]2(C[C@@H](C)O1)OCCC2=O 675079622 537804524 /nfs/dbraw/zinc/80/45/24/537804524.db2.gz FPOABCAXLJHRMD-DIYOJNKTSA-N 0 0 184.235 1.302 10 0 ADAERN CCCc1noc(N)c1C=O 675079878 537804556 /nfs/dbraw/zinc/80/45/56/537804556.db2.gz JOCJPCONKPEDSA-UHFFFAOYSA-N 0 0 154.169 1.022 10 0 ADAERN C[C@H]1CC[C@]2(C1)OCCC2=O 675079843 537804605 /nfs/dbraw/zinc/80/46/05/537804605.db2.gz IGKQKEHFZNCZAT-IONNQARKSA-N 0 0 154.209 1.535 10 0 ADAERN C[C@@H]1CC[C@@]2(C1)OCCC2=O 675079840 537804756 /nfs/dbraw/zinc/80/47/56/537804756.db2.gz IGKQKEHFZNCZAT-APPZFPTMSA-N 0 0 154.209 1.535 10 0 ADAERN O[C@H]1CCOC12CCCCCC2 675080054 537804836 /nfs/dbraw/zinc/80/48/36/537804836.db2.gz KBQROTBNLVFRCT-VIFPVBQESA-N 0 0 170.252 1.861 10 0 ADAERN CC1CCC2(CC1)OCC[C@@H]2O 675079663 537804865 /nfs/dbraw/zinc/80/48/65/537804865.db2.gz GIQWWXVSYMBZQA-KYHHOPLUSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@H]1C[C@@]2(C[C@@H](C)O1)OCC[C@H]2O 675080067 537805046 /nfs/dbraw/zinc/80/50/46/537805046.db2.gz KMZXRGLWDHSEMC-UTINFBMNSA-N 0 0 186.251 1.094 10 0 ADAERN CC(=O)[C@H]1CSC[C@@H]1C 675079936 537805132 /nfs/dbraw/zinc/80/51/32/537805132.db2.gz KCBVTKBGXWXTKS-FSPLSTOPSA-N 0 0 144.239 1.575 10 0 ADAERN CC[C@@H](C)n1nncc1C(=O)COC 675080296 537805189 /nfs/dbraw/zinc/80/51/89/537805189.db2.gz NSMGVTDYEUEUJQ-SSDOTTSWSA-N 0 0 197.238 1.078 10 0 ADAERN C[C@@H]1CC[C@]2(C1)OCC[C@@H]2O 675079688 537805354 /nfs/dbraw/zinc/80/53/54/537805354.db2.gz GSBIDUWCRWKGJL-HRDYMLBCSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@H]1CC[C@]2(C1)OCC[C@H]2O 675079690 537805431 /nfs/dbraw/zinc/80/54/31/537805431.db2.gz GSBIDUWCRWKGJL-IWSPIJDZSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@H]1CC[C@@]2(C1)OCC[C@H]2O 675079687 537805440 /nfs/dbraw/zinc/80/54/40/537805440.db2.gz GSBIDUWCRWKGJL-HLTSFMKQSA-N 0 0 156.225 1.326 10 0 ADAERN O[C@@H]1CCOC12CCCCCC2 675080053 537805767 /nfs/dbraw/zinc/80/57/67/537805767.db2.gz KBQROTBNLVFRCT-SECBINFHSA-N 0 0 170.252 1.861 10 0 ADAERN C[C@H]1C[C@@]2(C[C@@H](C)O1)OCC[C@@H]2O 675080064 537806154 /nfs/dbraw/zinc/80/61/54/537806154.db2.gz KMZXRGLWDHSEMC-JXUBOQSCSA-N 0 0 186.251 1.094 10 0 ADAERN CC[C@H](C)n1nncc1C(=O)COC 675080297 537806233 /nfs/dbraw/zinc/80/62/33/537806233.db2.gz NSMGVTDYEUEUJQ-ZETCQYMHSA-N 0 0 197.238 1.078 10 0 ADAERN C[C@@H]1CC[C@@]2(C1)OCC[C@@H]2O 675079693 537806409 /nfs/dbraw/zinc/80/64/09/537806409.db2.gz GSBIDUWCRWKGJL-VGMNWLOBSA-N 0 0 156.225 1.326 10 0 ADAERN O=C1CC[C@H]2CSC[C@H]12 675080836 537806927 /nfs/dbraw/zinc/80/69/27/537806927.db2.gz WOHAKPMSHBQDFL-WDSKDSINSA-N 0 0 142.223 1.329 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(C1)OCC[C@H]2O 675080575 537806938 /nfs/dbraw/zinc/80/69/38/537806938.db2.gz RDHPWXBBIUWBPF-OPRDCNLKSA-N 0 0 184.279 1.963 10 0 ADAERN O=C1CC[C@@H]2CSC[C@@H]12 675080834 537807002 /nfs/dbraw/zinc/80/70/02/537807002.db2.gz WOHAKPMSHBQDFL-PHDIDXHHSA-N 0 0 142.223 1.329 10 0 ADAERN O=C1CCOC12CCC(F)(F)CC2 675080888 537807011 /nfs/dbraw/zinc/80/70/11/537807011.db2.gz XIHNKCPQTDQGPV-UHFFFAOYSA-N 0 0 190.189 1.924 10 0 ADAERN Cn1nccc1-c1ccc(F)nc1 675082275 537807065 /nfs/dbraw/zinc/80/70/65/537807065.db2.gz HBCLKPLIVGDQJN-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN O=C1CC[C@@H]2CSC[C@H]12 675080835 537807080 /nfs/dbraw/zinc/80/70/80/537807080.db2.gz WOHAKPMSHBQDFL-RITPCOANSA-N 0 0 142.223 1.329 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@]2(C1)OCC[C@@H]2O 675080578 537807177 /nfs/dbraw/zinc/80/71/77/537807177.db2.gz RDHPWXBBIUWBPF-VLEAKVRGSA-N 0 0 184.279 1.963 10 0 ADAERN Cn1ccnc1-c1ccc(F)nc1 675082034 537807206 /nfs/dbraw/zinc/80/72/06/537807206.db2.gz BROYODNIUBDTKV-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN O=C1CCO[C@@]12CCCSC2 675080702 537807312 /nfs/dbraw/zinc/80/73/12/537807312.db2.gz SZUUDTJFUQQSIP-MRVPVSSYSA-N 0 0 172.249 1.242 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)OCC[C@H]2O 675080938 537807459 /nfs/dbraw/zinc/80/74/59/537807459.db2.gz XXXPQOJYGBFPNZ-LMLFDSFASA-N 0 0 184.279 1.963 10 0 ADAERN Cc1n[nH]cc1-c1cncc(C=O)c1 675082299 537807566 /nfs/dbraw/zinc/80/75/66/537807566.db2.gz HXCXPKBSTMORGC-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)OCC[C@@H]2O 675080939 537807793 /nfs/dbraw/zinc/80/77/93/537807793.db2.gz XXXPQOJYGBFPNZ-VPOLOUISSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)OCC[C@@H]2O 675080357 537807907 /nfs/dbraw/zinc/80/79/07/537807907.db2.gz OOFRSMNPGSCNTL-KXUCPTDWSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1nnc(-c2ccc(C=O)s2)o1 675082689 537808023 /nfs/dbraw/zinc/80/80/23/537808023.db2.gz XEIGUVJRFYQLDW-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN O[C@@H]1CCOC12CCC(F)(F)CC2 675080691 537808091 /nfs/dbraw/zinc/80/80/91/537808091.db2.gz SVKNEEHVLOUFEE-SSDOTTSWSA-N 0 0 192.205 1.716 10 0 ADAERN Cn1nccc1-c1cscc1C=O 675082559 537808159 /nfs/dbraw/zinc/80/81/59/537808159.db2.gz LOAOCYDLIJQJSM-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(C1)OCC[C@@H]2O 675080570 537808464 /nfs/dbraw/zinc/80/84/64/537808464.db2.gz RDHPWXBBIUWBPF-BBBLOLIVSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@]2(C1)OCC[C@H]2O 675080574 537808568 /nfs/dbraw/zinc/80/85/68/537808568.db2.gz RDHPWXBBIUWBPF-LMLFDSFASA-N 0 0 184.279 1.963 10 0 ADAERN O=Cc1cncc(-c2cn[nH]c2)c1 675082598 537808605 /nfs/dbraw/zinc/80/86/05/537808605.db2.gz OYUZIEMXKKPAQP-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN FC(F)(F)CNCc1cc[nH]n1 36899935 537808692 /nfs/dbraw/zinc/80/86/92/537808692.db2.gz YMARXTBGXAJPTA-UHFFFAOYSA-N 0 0 179.145 1.062 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)OCC[C@@H]2O 675080361 537808694 /nfs/dbraw/zinc/80/86/94/537808694.db2.gz OOFRSMNPGSCNTL-UTLUCORTSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)OCC[C@H]2O 675080356 537808899 /nfs/dbraw/zinc/80/88/99/537808899.db2.gz OOFRSMNPGSCNTL-BBBLOLIVSA-N 0 0 170.252 1.717 10 0 ADAERN O[C@H]1CCOC12CCC(F)(F)CC2 675080692 537808904 /nfs/dbraw/zinc/80/89/04/537808904.db2.gz SVKNEEHVLOUFEE-ZETCQYMHSA-N 0 0 192.205 1.716 10 0 ADAERN O[C@@H]1CCOC12CCSCC2 675080952 537808938 /nfs/dbraw/zinc/80/89/38/537808938.db2.gz YIFOSBBLCMWNNR-SSDOTTSWSA-N 0 0 174.265 1.033 10 0 ADAERN Cc1nnc(-c2ccccc2C=O)o1 675082668 537808945 /nfs/dbraw/zinc/80/89/45/537808945.db2.gz VAANCSWKACXZHU-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN Cc1n[nH]cc1-c1ccc(F)nc1 675082284 537809249 /nfs/dbraw/zinc/80/92/49/537809249.db2.gz HGGCTYLHPBDAOF-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN O[C@H]1CCOC12CCSCC2 675080953 537809267 /nfs/dbraw/zinc/80/92/67/537809267.db2.gz YIFOSBBLCMWNNR-ZETCQYMHSA-N 0 0 174.265 1.033 10 0 ADAERN Cc1nnc(-c2ccc(C=O)o2)o1 675082055 537809402 /nfs/dbraw/zinc/80/94/02/537809402.db2.gz CLHAEOHWFJUWDH-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CC(=O)c1ccc(-c2ccnn2C)o1 675082264 537809464 /nfs/dbraw/zinc/80/94/64/537809464.db2.gz GKPGNOFNSRJPKG-UHFFFAOYSA-N 0 0 190.202 1.883 10 0 ADAERN C[C@@H]1CC[C@]2(C[C@H]1C)OCC[C@H]2O 675080936 537809518 /nfs/dbraw/zinc/80/95/18/537809518.db2.gz XXXPQOJYGBFPNZ-GWOFURMSSA-N 0 0 184.279 1.963 10 0 ADAERN O=Cc1cncc(-c2c[nH]cn2)c1 675081971 537809949 /nfs/dbraw/zinc/80/99/49/537809949.db2.gz ARYSINAPAPAPKJ-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN O=C1CC[C@H]2CSC[C@@H]12 675080830 537809604 /nfs/dbraw/zinc/80/96/04/537809604.db2.gz WOHAKPMSHBQDFL-NTSWFWBYSA-N 0 0 142.223 1.329 10 0 ADAERN C[C@@H]1CC[C@]2(C[C@H]1C)OCC[C@@H]2O 675080934 537809653 /nfs/dbraw/zinc/80/96/53/537809653.db2.gz XXXPQOJYGBFPNZ-CHWFTXMASA-N 0 0 184.279 1.963 10 0 ADAERN CC(C)CC[C@H]1CC(=O)CC(=O)N1 685946480 537816847 /nfs/dbraw/zinc/81/68/47/537816847.db2.gz LBPNUZNZUNBSLF-QMMMGPOBSA-N 0 0 183.251 1.270 10 0 ADAERN O=C1CCO[C@]12CCCSC2 675080703 537809678 /nfs/dbraw/zinc/80/96/78/537809678.db2.gz SZUUDTJFUQQSIP-QMMMGPOBSA-N 0 0 172.249 1.242 10 0 ADAERN Cc1nnc(-c2cncc(C=O)c2)o1 675082587 537809695 /nfs/dbraw/zinc/80/96/95/537809695.db2.gz OFIWXFWXDWFUMU-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN O=C1CCOC12CCSCC2 675080362 537809712 /nfs/dbraw/zinc/80/97/12/537809712.db2.gz OPMGEXJYDWOZHC-UHFFFAOYSA-N 0 0 172.249 1.242 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)OCC[C@H]2O 675080359 537809809 /nfs/dbraw/zinc/80/98/09/537809809.db2.gz OOFRSMNPGSCNTL-OPRDCNLKSA-N 0 0 170.252 1.717 10 0 ADAERN O=C([O-])c1ccc(C2=CC[NH2+]CC2)o1 675082218 537809823 /nfs/dbraw/zinc/80/98/23/537809823.db2.gz FKKOCKBYTKUTHB-UHFFFAOYSA-N 0 0 193.202 1.355 10 0 ADAERN Cc1cc(-c2cncc(C=O)c2)on1 675082303 537809852 /nfs/dbraw/zinc/80/98/52/537809852.db2.gz HZIWXQNGOJNDPB-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN Cn1nccc1-c1csc(C=O)c1 675082724 537810597 /nfs/dbraw/zinc/81/05/97/537810597.db2.gz ZRTVQYFYCJNPSZ-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN O=C([O-])c1cc(C2=CC[NH2+]CC2)c[nH]1 675082709 537810605 /nfs/dbraw/zinc/81/06/05/537810605.db2.gz YKLULEZPLHZEDK-UHFFFAOYSA-N 0 0 192.218 1.090 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1CO 685945593 537812473 /nfs/dbraw/zinc/81/24/73/537812473.db2.gz BNZGNYMPECNOBL-JGVFFNPUSA-N 0 0 186.251 1.347 10 0 ADAERN CCC[C@H]([NH2+]CCC(C)C)C(=O)[O-] 37409707 537814070 /nfs/dbraw/zinc/81/40/70/537814070.db2.gz OPRCGGPLGCPPNG-VIFPVBQESA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@H](C)O[C@H](C)C1 685945789 537815054 /nfs/dbraw/zinc/81/50/54/537815054.db2.gz BCGPZOFNFSBXCJ-MYJAWHEDSA-N 0 0 199.294 1.715 10 0 ADAERN C[C@H]1C[C@@H]([C@H](C[NH3+])C(=O)[O-])CC[C@H]1C 685946488 537815089 /nfs/dbraw/zinc/81/50/89/537815089.db2.gz LDNGAAJXYYKHSA-KATARQTJSA-N 0 0 199.294 1.718 10 0 ADAERN CC1CCC2(CC1)CC(=O)NC[C@H]2O 685946587 537815250 /nfs/dbraw/zinc/81/52/50/537815250.db2.gz TWWJWTMTTLPHEF-INWMGODYSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@H]1C[C@@H](C(=O)NC2CC2)C[C@@H](C)O1 685945896 537815257 /nfs/dbraw/zinc/81/52/57/537815257.db2.gz FITMTXMUDVFQGN-BRPSZJMVSA-N 0 0 197.278 1.469 10 0 ADAERN OCC[C@H]1C[C@H]1C(F)F 685946391 537815310 /nfs/dbraw/zinc/81/53/10/537815310.db2.gz JDLWPGXQACPJRN-CRCLSJGQSA-N 0 0 136.141 1.270 10 0 ADAERN CCC1CCC([C@@H](C[NH3+])C(=O)[O-])CC1 685946080 537815597 /nfs/dbraw/zinc/81/55/97/537815597.db2.gz DBZIPHAREMYUQT-UDNWOFFPSA-N 0 0 199.294 1.862 10 0 ADAERN C[C@H]1C[C@@H]([C@@H](C[NH3+])C(=O)[O-])CC[C@H]1C 685946490 537815630 /nfs/dbraw/zinc/81/56/30/537815630.db2.gz LDNGAAJXYYKHSA-XFWSIPNHSA-N 0 0 199.294 1.718 10 0 ADAERN CCCC(=O)N[C@@H]1CC[C@]2(CO)C[C@H]12 685946213 537815673 /nfs/dbraw/zinc/81/56/73/537815673.db2.gz FKIOMFZMAFIXKP-FXPVBKGRSA-N 0 0 197.278 1.064 10 0 ADAERN CC(C)CC[C@@H]1CC(=O)CC(=O)N1 685946479 537815696 /nfs/dbraw/zinc/81/56/96/537815696.db2.gz LBPNUZNZUNBSLF-MRVPVSSYSA-N 0 0 183.251 1.270 10 0 ADAERN Cn1ccc(-c2csc(C=O)c2)n1 685946249 537815810 /nfs/dbraw/zinc/81/58/10/537815810.db2.gz HHRHUDWWVWOFLN-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN OCC[C@H]1C[C@@H]1C(F)F 685946394 537816095 /nfs/dbraw/zinc/81/60/95/537816095.db2.gz JDLWPGXQACPJRN-WHFBIAKZSA-N 0 0 136.141 1.270 10 0 ADAERN CCCC(=O)N[C@@H]1CC[C@@]2(CO)C[C@@H]12 685946216 537816182 /nfs/dbraw/zinc/81/61/82/537816182.db2.gz FKIOMFZMAFIXKP-NGZCFLSTSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](C[NH3+])C(=O)[O-])C[C@H]1C 685946482 537816255 /nfs/dbraw/zinc/81/62/55/537816255.db2.gz LDNGAAJXYYKHSA-DOLQZWNJSA-N 0 0 199.294 1.718 10 0 ADAERN OCC[C@@H]1C[C@H]1C(F)F 685946392 537816644 /nfs/dbraw/zinc/81/66/44/537816644.db2.gz JDLWPGXQACPJRN-RFZPGFLSSA-N 0 0 136.141 1.270 10 0 ADAERN OCC[C@@H]1C[C@@H]1C(F)F 685946393 537816649 /nfs/dbraw/zinc/81/66/49/537816649.db2.gz JDLWPGXQACPJRN-UHNVWZDZSA-N 0 0 136.141 1.270 10 0 ADAERN O=C1NCC[C@@H]2CCCC[C@H]2O1 685945704 537816675 /nfs/dbraw/zinc/81/66/75/537816675.db2.gz OTZHCEBGHLWWDB-JGVFFNPUSA-N 0 0 169.224 1.675 10 0 ADAERN Cn1ccc(-c2ccsc2C=O)n1 685946270 537816779 /nfs/dbraw/zinc/81/67/79/537816779.db2.gz HUTCPOSQQGPGPX-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN Cc1ccc2c(CO)cnn2c1C 685946466 537816813 /nfs/dbraw/zinc/81/68/13/537816813.db2.gz ASPGNVPOXZZPAQ-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN CC1CCC2(CC1)CC(=O)NC[C@@H]2O 685946588 537816828 /nfs/dbraw/zinc/81/68/28/537816828.db2.gz TWWJWTMTTLPHEF-YUCVTWSNSA-N 0 0 197.278 1.064 10 0 ADAERN CCOc1cc(C(=O)OC)cc(F)n1 685946550 537816843 /nfs/dbraw/zinc/81/68/43/537816843.db2.gz APJNTNNSGOFOQU-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](C[NH3+])C(=O)[O-])C[C@H]1C 685946487 537816953 /nfs/dbraw/zinc/81/69/53/537816953.db2.gz LDNGAAJXYYKHSA-IMSYWVGJSA-N 0 0 199.294 1.718 10 0 ADAERN CCNC(=O)[C@@H]1C[C@H](C)O[C@H](C)C1 685946262 537817183 /nfs/dbraw/zinc/81/71/83/537817183.db2.gz MQWQWELZOTUOST-BRPSZJMVSA-N 0 0 185.267 1.326 10 0 ADAERN CCC1CCC([C@H](C[NH3+])C(=O)[O-])CC1 685946079 537817466 /nfs/dbraw/zinc/81/74/66/537817466.db2.gz DBZIPHAREMYUQT-RTBKNWGFSA-N 0 0 199.294 1.862 10 0 ADAERN C=CC[NH2+][C@H](CCC)C(=O)[O-] 37409710 537817604 /nfs/dbraw/zinc/81/76/04/537817604.db2.gz GTPSVXLNIHHKQV-SSDOTTSWSA-N 0 0 157.213 1.015 10 0 ADAERN CCCC[N@H+](CCC(=O)[O-])C1CC1 37474130 537817782 /nfs/dbraw/zinc/81/77/82/537817782.db2.gz SKMVCKRRPTVUQQ-UHFFFAOYSA-N 0 0 185.267 1.726 10 0 ADAERN CC[N@H+](C)C1CCC(C)(C(=O)[O-])CC1 685947512 537818050 /nfs/dbraw/zinc/81/80/50/537818050.db2.gz OUSSNXONZURIBR-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN O[C@@H]1CCC(F)(F)C[C@H]1F 685948208 537822556 /nfs/dbraw/zinc/82/25/56/537822556.db2.gz ATAKERWZYWCQMB-RFZPGFLSSA-N 0 0 154.131 1.505 10 0 ADAERN CC(=O)NCCc1cc(O)cc(F)c1 685946866 537818396 /nfs/dbraw/zinc/81/83/96/537818396.db2.gz DOAWSSPLWVITCN-UHFFFAOYSA-N 0 0 197.209 1.210 10 0 ADAERN C[C@H]1CC([C@H](C[NH3+])C(=O)[O-])C[C@H](C)C1 685947337 537818538 /nfs/dbraw/zinc/81/85/38/537818538.db2.gz UTCSIXBMGHCODF-MRTMQBJTSA-N 0 0 199.294 1.718 10 0 ADAERN C=CC[NH2+][C@@H](CCC)C(=O)[O-] 37409709 537818562 /nfs/dbraw/zinc/81/85/62/537818562.db2.gz GTPSVXLNIHHKQV-ZETCQYMHSA-N 0 0 157.213 1.015 10 0 ADAERN CC(C)NC(=O)c1cc(N)cc(O)c1 685947524 537818604 /nfs/dbraw/zinc/81/86/04/537818604.db2.gz LKQYSOGUVPFAGN-UHFFFAOYSA-N 0 0 194.234 1.113 10 0 ADAERN Cc1c(N)cncc1-c1ccn(C)n1 685946831 537818714 /nfs/dbraw/zinc/81/87/14/537818714.db2.gz OKPVNYSLGCIMAB-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCCC(C)(C)[S@@](N)=O 685947224 537818900 /nfs/dbraw/zinc/81/89/00/537818900.db2.gz HNNJHCLKCKAFJC-VIFPVBQESA-N 0 0 149.259 1.188 10 0 ADAERN CCC(=O)NCC[C@H]1CCCC[C@H]1O 685947219 537819025 /nfs/dbraw/zinc/81/90/25/537819025.db2.gz KBTLXDGRPAOAFV-NXEZZACHSA-N 0 0 199.294 1.454 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H]([C@H](C[NH3+])C(=O)[O-])C1 685947336 537819100 /nfs/dbraw/zinc/81/91/00/537819100.db2.gz UTCSIXBMGHCODF-JLIMGVALSA-N 0 0 199.294 1.718 10 0 ADAERN CC(C)[N@H+](C)CCC1(C(=O)[O-])CCC1 685947185 537819182 /nfs/dbraw/zinc/81/91/82/537819182.db2.gz FRETXSHBAUJAQT-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)Oc1c(N)ccnc1F 685946832 537819318 /nfs/dbraw/zinc/81/93/18/537819318.db2.gz COVWASKTHMEGOO-UHFFFAOYSA-N 0 0 170.187 1.590 10 0 ADAERN CCCC(C)(C)[S@](N)=O 685947216 537819452 /nfs/dbraw/zinc/81/94/52/537819452.db2.gz HNNJHCLKCKAFJC-SECBINFHSA-N 0 0 149.259 1.188 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H]([C@@H](C[NH3+])C(=O)[O-])C1 685947339 537819612 /nfs/dbraw/zinc/81/96/12/537819612.db2.gz UTCSIXBMGHCODF-XFWSIPNHSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H]1CC([C@@H](C[NH3+])C(=O)[O-])C[C@H](C)C1 685947338 537819623 /nfs/dbraw/zinc/81/96/23/537819623.db2.gz UTCSIXBMGHCODF-NQMVMOMDSA-N 0 0 199.294 1.718 10 0 ADAERN CCC(=O)NCC[C@H]1CCCC[C@@H]1O 685947222 537819671 /nfs/dbraw/zinc/81/96/71/537819671.db2.gz KBTLXDGRPAOAFV-ZJUUUORDSA-N 0 0 199.294 1.454 10 0 ADAERN COCC(=O)NCC(C)(C)C1CC1 685946803 537819924 /nfs/dbraw/zinc/81/99/24/537819924.db2.gz CBVBMJXEQFYZJT-UHFFFAOYSA-N 0 0 185.267 1.185 10 0 ADAERN COc1ccc(N)c(C(C)C)n1 685947400 537820017 /nfs/dbraw/zinc/82/00/17/537820017.db2.gz VFPOQKZACHLUDQ-UHFFFAOYSA-N 0 0 166.224 1.796 10 0 ADAERN CCn1cnc2cc(Cl)nnc21 685947255 537820146 /nfs/dbraw/zinc/82/01/46/537820146.db2.gz SPXDYVXYXBPOHI-UHFFFAOYSA-N 0 0 182.614 1.500 10 0 ADAERN CCC(=O)NCC[C@@H]1CCCC[C@H]1O 685947221 537820537 /nfs/dbraw/zinc/82/05/37/537820537.db2.gz KBTLXDGRPAOAFV-VHSXEESVSA-N 0 0 199.294 1.454 10 0 ADAERN Cn1ccc(-c2ccc(C=O)nc2)n1 685946752 537820710 /nfs/dbraw/zinc/82/07/10/537820710.db2.gz MXTGUZLJLXQIMN-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN COC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21 685947718 537821805 /nfs/dbraw/zinc/82/18/05/537821805.db2.gz QQBKVOILOPHSMR-IVZWLZJFSA-N 0 0 197.278 1.328 10 0 ADAERN O[C@H]1CCC(F)(F)C[C@@H]1F 685948210 537822188 /nfs/dbraw/zinc/82/21/88/537822188.db2.gz ATAKERWZYWCQMB-WHFBIAKZSA-N 0 0 154.131 1.505 10 0 ADAERN CCNC1(C(=O)OC(C)(C)C)CC1 685947767 537822503 /nfs/dbraw/zinc/82/25/03/537822503.db2.gz PQHXITPCIHZWAX-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN CC1(C)CC[C@@H](O)[C@@H](F)C1 685948305 537822515 /nfs/dbraw/zinc/82/25/15/537822515.db2.gz GZMMWQAIJJMPQJ-NKWVEPMBSA-N 0 0 146.205 1.896 10 0 ADAERN CC[N@H+](C)CCC1(C(=O)[O-])CCC1 685948155 537822546 /nfs/dbraw/zinc/82/25/46/537822546.db2.gz ZRQKAXURFUIJFL-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN CC1(C)CC[C@@H](O)[C@H](F)C1 685948306 537822589 /nfs/dbraw/zinc/82/25/89/537822589.db2.gz GZMMWQAIJJMPQJ-RNFRBKRXSA-N 0 0 146.205 1.896 10 0 ADAERN CC1(C)CC[C@H](O)[C@@H](F)C1 685948304 537822595 /nfs/dbraw/zinc/82/25/95/537822595.db2.gz GZMMWQAIJJMPQJ-BQBZGAKWSA-N 0 0 146.205 1.896 10 0 ADAERN O=C([O-])C1C[NH+]([C@@H]2CC[C@H]3CC[C@H]32)C1 685948417 537822737 /nfs/dbraw/zinc/82/27/37/537822737.db2.gz NAQQXTTUCPMPPA-SZEHBUNVSA-N 0 0 195.262 1.191 10 0 ADAERN O=C([O-])C1C[NH+]([C@@H]2CC[C@@H]3CC[C@H]32)C1 685948416 537822758 /nfs/dbraw/zinc/82/27/58/537822758.db2.gz NAQQXTTUCPMPPA-FXBDTBDDSA-N 0 0 195.262 1.191 10 0 ADAERN O=C([O-])C1C[NH+]([C@@H]2CC[C@@H]3CC[C@@H]32)C1 685948418 537822844 /nfs/dbraw/zinc/82/28/44/537822844.db2.gz NAQQXTTUCPMPPA-UJNFCWOMSA-N 0 0 195.262 1.191 10 0 ADAERN CC1(C)CC[C@H](O)[C@H](F)C1 685948307 537822885 /nfs/dbraw/zinc/82/28/85/537822885.db2.gz GZMMWQAIJJMPQJ-RQJHMYQMSA-N 0 0 146.205 1.896 10 0 ADAERN O[C@H]1CCC(F)(F)C[C@H]1F 685948209 537823004 /nfs/dbraw/zinc/82/30/04/537823004.db2.gz ATAKERWZYWCQMB-UHNVWZDZSA-N 0 0 154.131 1.505 10 0 ADAERN O=C([O-])C1C[NH+]([C@@H]2CC[C@H]3CC[C@@H]32)C1 685948415 537823188 /nfs/dbraw/zinc/82/31/88/537823188.db2.gz NAQQXTTUCPMPPA-FKTZTGRPSA-N 0 0 195.262 1.191 10 0 ADAERN CCOc1c(N)ccnc1F 685948154 537823352 /nfs/dbraw/zinc/82/33/52/537823352.db2.gz ZOPMKDJUUSCSKO-UHFFFAOYSA-N 0 0 156.160 1.202 10 0 ADAERN C[N@H+](CCC1(C(=O)[O-])CCC1)C1CC1 685947901 537823518 /nfs/dbraw/zinc/82/35/18/537823518.db2.gz SOIVNAMUNUEDPZ-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN COC[C@H](C)NCc1nc(C)c(C)o1 37909202 537823525 /nfs/dbraw/zinc/82/35/25/537823525.db2.gz BDGAVDUFKKRNKP-ZETCQYMHSA-N 0 0 198.266 1.416 10 0 ADAERN COC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21 685947727 537823577 /nfs/dbraw/zinc/82/35/77/537823577.db2.gz QQBKVOILOPHSMR-OPRDCNLKSA-N 0 0 197.278 1.328 10 0 ADAERN CC(=O)NCC[C@H]1CCCC[C@@H]1O 685948174 537823589 /nfs/dbraw/zinc/82/35/89/537823589.db2.gz ZFNHORMKWCOSDO-ZJUUUORDSA-N 0 0 185.267 1.064 10 0 ADAERN O[C@@H]1CCC(F)(F)C[C@@H]1F 685948207 537823641 /nfs/dbraw/zinc/82/36/41/537823641.db2.gz ATAKERWZYWCQMB-CRCLSJGQSA-N 0 0 154.131 1.505 10 0 ADAERN CCNc1nnc(Cl)cc1N 685947606 537823792 /nfs/dbraw/zinc/82/37/92/537823792.db2.gz XWPHDLFBYHVLGT-UHFFFAOYSA-N 0 0 172.619 1.144 10 0 ADAERN COC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21 685947725 537823824 /nfs/dbraw/zinc/82/38/24/537823824.db2.gz QQBKVOILOPHSMR-LPEHRKFASA-N 0 0 197.278 1.328 10 0 ADAERN NC(=O)c1ccc(Cl)c2c1CCO2 685948180 537824169 /nfs/dbraw/zinc/82/41/69/537824169.db2.gz ZRLQNLYKWGMANT-UHFFFAOYSA-N 0 0 197.621 1.374 10 0 ADAERN CC(=O)NCC[C@H]1CCCC[C@H]1O 685948171 537824179 /nfs/dbraw/zinc/82/41/79/537824179.db2.gz ZFNHORMKWCOSDO-NXEZZACHSA-N 0 0 185.267 1.064 10 0 ADAERN Cc1ccc2c(C(N)=O)cnn2c1C 685947799 537824239 /nfs/dbraw/zinc/82/42/39/537824239.db2.gz QZOJEWRYUXZKHU-UHFFFAOYSA-N 0 0 189.218 1.050 10 0 ADAERN COC[C@@H](C)NCc1nc(C)c(C)o1 37909203 537824336 /nfs/dbraw/zinc/82/43/36/537824336.db2.gz BDGAVDUFKKRNKP-SSDOTTSWSA-N 0 0 198.266 1.416 10 0 ADAERN CCC[N@H+](C)CCC1(C(=O)[O-])CCC1 685947974 537824383 /nfs/dbraw/zinc/82/43/83/537824383.db2.gz VOTUKMNORXALEF-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC(=O)NCC[C@@H]1CCCC[C@H]1O 685948173 537824471 /nfs/dbraw/zinc/82/44/71/537824471.db2.gz ZFNHORMKWCOSDO-VHSXEESVSA-N 0 0 185.267 1.064 10 0 ADAERN COC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21 685947723 537824473 /nfs/dbraw/zinc/82/44/73/537824473.db2.gz QQBKVOILOPHSMR-KXUCPTDWSA-N 0 0 197.278 1.328 10 0 ADAERN CCc1cc(C=O)c(CC)nn1 685947992 537824491 /nfs/dbraw/zinc/82/44/91/537824491.db2.gz WIUTYCTVEKISHI-UHFFFAOYSA-N 0 0 164.208 1.414 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(N)=O 685949357 537824809 /nfs/dbraw/zinc/82/48/09/537824809.db2.gz QOWPHNYWGPKFIK-XUTVFYLZSA-N 0 0 153.225 1.154 10 0 ADAERN CCC(=O)Cc1ccno1 685948552 537824999 /nfs/dbraw/zinc/82/49/99/537824999.db2.gz QFFOMVHNZATFCO-UHFFFAOYSA-N 0 0 139.154 1.196 10 0 ADAERN Cc1nccc([C@@H]2CCOC2)c1N 685949440 537825079 /nfs/dbraw/zinc/82/50/79/537825079.db2.gz RTPJZTFJNCVGAM-MRVPVSSYSA-N 0 0 178.235 1.476 10 0 ADAERN Cc1cccc(NCc2cn[nH]c2)n1 38006464 537825220 /nfs/dbraw/zinc/82/52/20/537825220.db2.gz KLXQOTOIMCFTQN-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN Cc1ccc(NCc2cn[nH]c2)nc1 38006615 537825540 /nfs/dbraw/zinc/82/55/40/537825540.db2.gz LUVVXXFMFXCBFU-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN CCN1C(=S)N=NC1c1cnoc1 685949721 537825571 /nfs/dbraw/zinc/82/55/71/537825571.db2.gz IBUGLSDFPORDJS-UHFFFAOYSA-N 0 0 196.235 1.242 10 0 ADAERN CCC(CC)c1c(N)cnn1C 685948989 537825707 /nfs/dbraw/zinc/82/57/07/537825707.db2.gz ZRAWXOYWPKVHSK-UHFFFAOYSA-N 0 0 167.256 1.906 10 0 ADAERN COC(=O)[C@H]1C[C@H]1c1cccc(N)c1 685949249 537825721 /nfs/dbraw/zinc/82/57/21/537825721.db2.gz NTCJDPRNRNJFNY-UWVGGRQHSA-N 0 0 191.230 1.545 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(N)=O 685949356 537825997 /nfs/dbraw/zinc/82/59/97/537825997.db2.gz QOWPHNYWGPKFIK-WCTZXXKLSA-N 0 0 153.225 1.154 10 0 ADAERN COC(=O)[C@H]1C[C@@H]1c1cccc(N)c1 685949251 537826309 /nfs/dbraw/zinc/82/63/09/537826309.db2.gz NTCJDPRNRNJFNY-ZJUUUORDSA-N 0 0 191.230 1.545 10 0 ADAERN Cc1cc([C@H]2CCOC2)c(N)cn1 685949522 537826748 /nfs/dbraw/zinc/82/67/48/537826748.db2.gz SXCMENMRKKCETM-QMMMGPOBSA-N 0 0 178.235 1.476 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]1c1cccc(N)c1 685949240 537826966 /nfs/dbraw/zinc/82/69/66/537826966.db2.gz NTCJDPRNRNJFNY-NXEZZACHSA-N 0 0 191.230 1.545 10 0 ADAERN Cc1nccc([C@H]2CCOC2)c1N 685949441 537827344 /nfs/dbraw/zinc/82/73/44/537827344.db2.gz RTPJZTFJNCVGAM-QMMMGPOBSA-N 0 0 178.235 1.476 10 0 ADAERN COC(=O)[C@@H]1C[C@H]1c1cccc(N)c1 685949250 537827520 /nfs/dbraw/zinc/82/75/20/537827520.db2.gz NTCJDPRNRNJFNY-VHSXEESVSA-N 0 0 191.230 1.545 10 0 ADAERN Cc1cc([C@@H]2CCOC2)c(N)cn1 685949521 537827593 /nfs/dbraw/zinc/82/75/93/537827593.db2.gz SXCMENMRKKCETM-MRVPVSSYSA-N 0 0 178.235 1.476 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1CO 685948759 537827615 /nfs/dbraw/zinc/82/76/15/537827615.db2.gz FLRARYFSQJTTPD-BGZDPUMWSA-N 0 0 140.226 1.661 10 0 ADAERN COC(=O)[C@H]1COc2c(F)cccc21 685951990 537830897 /nfs/dbraw/zinc/83/08/97/537830897.db2.gz NSCDJQYELLDGMX-ZETCQYMHSA-N 0 0 196.177 1.475 10 0 ADAERN CCN1C(=S)N=NC1c1cocn1 685949940 537828228 /nfs/dbraw/zinc/82/82/28/537828228.db2.gz KBNOFDGACLEAHF-UHFFFAOYSA-N 0 0 196.235 1.242 10 0 ADAERN C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2C(=O)[O-])C1 685950437 537828323 /nfs/dbraw/zinc/82/83/23/537828323.db2.gz PZSXWAWGRIFPBJ-BBBLOLIVSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2C(=O)[O-])C1 685950440 537828532 /nfs/dbraw/zinc/82/85/32/537828532.db2.gz PZSXWAWGRIFPBJ-UTLUCORTSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2C(=O)[O-])C1 685950439 537828582 /nfs/dbraw/zinc/82/85/82/537828582.db2.gz PZSXWAWGRIFPBJ-OPRDCNLKSA-N 0 0 197.278 1.439 10 0 ADAERN OCc1ccc([C@@H]2CCO2)cc1 685950702 537828790 /nfs/dbraw/zinc/82/87/90/537828790.db2.gz WFFLKFMVKKDIHW-JTQLQIEISA-N 0 0 164.204 1.640 10 0 ADAERN CCOc1ccc(N)c(C=O)c1F 685949892 537828988 /nfs/dbraw/zinc/82/89/88/537828988.db2.gz VINLKBURWDCFAW-UHFFFAOYSA-N 0 0 183.182 1.619 10 0 ADAERN CCNC(=O)C(=O)c1cccc(C)c1 685949921 537829038 /nfs/dbraw/zinc/82/90/38/537829038.db2.gz WMBAISNQBMSEIX-UHFFFAOYSA-N 0 0 191.230 1.314 10 0 ADAERN C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H]1C(=O)[O-] 685950468 537829072 /nfs/dbraw/zinc/82/90/72/537829072.db2.gz QVASMHGKQDXBET-BBBLOLIVSA-N 0 0 197.278 1.582 10 0 ADAERN Oc1ccc([C@H]2CCO2)cc1 685949793 537829366 /nfs/dbraw/zinc/82/93/66/537829366.db2.gz CTXXHGAISMWTHK-SECBINFHSA-N 0 0 150.177 1.854 10 0 ADAERN CC(C)N1C(=S)N=NC1C1COC1 685950214 537829409 /nfs/dbraw/zinc/82/94/09/537829409.db2.gz RZZOYZINEIHSHO-UHFFFAOYSA-N 0 0 199.279 1.262 10 0 ADAERN C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@H]1C(=O)[O-] 685950470 537829579 /nfs/dbraw/zinc/82/95/79/537829579.db2.gz QVASMHGKQDXBET-OPRDCNLKSA-N 0 0 197.278 1.582 10 0 ADAERN Oc1ccc([C@@H]2CCO2)cc1 685949800 537829690 /nfs/dbraw/zinc/82/96/90/537829690.db2.gz CTXXHGAISMWTHK-VIFPVBQESA-N 0 0 150.177 1.854 10 0 ADAERN C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]1C(=O)[O-] 685950471 537829765 /nfs/dbraw/zinc/82/97/65/537829765.db2.gz QVASMHGKQDXBET-UTLUCORTSA-N 0 0 197.278 1.582 10 0 ADAERN CCCN1C(=S)N=NC1C1COC1 685950356 537829828 /nfs/dbraw/zinc/82/98/28/537829828.db2.gz YOPBTCNEFQZKSD-UHFFFAOYSA-N 0 0 199.279 1.091 10 0 ADAERN S=C1N=NC(C2COC2)N1C1CC1 685950096 537829833 /nfs/dbraw/zinc/82/98/33/537829833.db2.gz NAJQQSCIDYKSBN-UHFFFAOYSA-N 0 0 197.263 1.016 10 0 ADAERN OCc1ccc([C@H]2CCO2)cc1 685950703 537829966 /nfs/dbraw/zinc/82/99/66/537829966.db2.gz WFFLKFMVKKDIHW-SNVBAGLBSA-N 0 0 164.204 1.640 10 0 ADAERN CC1CC(C(=O)N(C)C)C1 39064060 537830900 /nfs/dbraw/zinc/83/09/00/537830900.db2.gz QUPNPSZGCNTBCS-UHFFFAOYSA-N 0 0 141.214 1.121 10 0 ADAERN CC(C)(F)Cn1cc(N)cn1 685951121 537831021 /nfs/dbraw/zinc/83/10/21/537831021.db2.gz LBNGFMMZNBPHAH-UHFFFAOYSA-N 0 0 157.192 1.213 10 0 ADAERN CCOC(=O)[C@@H](O)C1=CCCCC1 38220692 537831046 /nfs/dbraw/zinc/83/10/46/537831046.db2.gz ZXPISZGDBHJTFR-VIFPVBQESA-N 0 0 184.235 1.411 10 0 ADAERN C[C@@H]1C[C@H]1Cn1cc(N)cn1 685951102 537831264 /nfs/dbraw/zinc/83/12/64/537831264.db2.gz IWCCCJMJWVRFLR-RQJHMYQMSA-N 0 0 151.213 1.121 10 0 ADAERN Nc1nn(C2CCC2)cc1Cl 685951064 537831340 /nfs/dbraw/zinc/83/13/40/537831340.db2.gz GNPCETPDOXTHQM-UHFFFAOYSA-N 0 0 171.631 1.844 10 0 ADAERN Cc1cn(C2CCC2)nc1N 685951192 537831357 /nfs/dbraw/zinc/83/13/57/537831357.db2.gz OYTSMKDXKADFKM-UHFFFAOYSA-N 0 0 151.213 1.499 10 0 ADAERN C/C(=C\Cl)Cn1ncc(N)n1 685952199 537831396 /nfs/dbraw/zinc/83/13/96/537831396.db2.gz ACFSEQCVBJCVKJ-GORDUTHDSA-N 0 0 172.619 1.003 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1ccc(N)n1 685951147 537831575 /nfs/dbraw/zinc/83/15/75/537831575.db2.gz MOMJMMZXXZOWQM-RNFRBKRXSA-N 0 0 151.213 1.121 10 0 ADAERN C[C@H]1C[C@H]1Cn1cc(N)cn1 685951098 537831709 /nfs/dbraw/zinc/83/17/09/537831709.db2.gz IWCCCJMJWVRFLR-BQBZGAKWSA-N 0 0 151.213 1.121 10 0 ADAERN COC(=O)[C@@H]1Cc2cccc(F)c2O1 685951490 537831726 /nfs/dbraw/zinc/83/17/26/537831726.db2.gz AMSYSFYLLDVQKR-QMMMGPOBSA-N 0 0 196.177 1.302 10 0 ADAERN C[C@H]1C[C@@H]1Cn1cc(N)cn1 685951099 537831749 /nfs/dbraw/zinc/83/17/49/537831749.db2.gz IWCCCJMJWVRFLR-NKWVEPMBSA-N 0 0 151.213 1.121 10 0 ADAERN COC(=O)[C@H]1COc2c(C)cccc21 685951647 537831980 /nfs/dbraw/zinc/83/19/80/537831980.db2.gz DOPAWASLKHCCJW-VIFPVBQESA-N 0 0 192.214 1.644 10 0 ADAERN COC(=O)[C@H]1Cc2ccc(F)cc2O1 685951823 537831995 /nfs/dbraw/zinc/83/19/95/537831995.db2.gz HFIMDSVWHFALNB-SECBINFHSA-N 0 0 196.177 1.302 10 0 ADAERN COC(=O)[C@H]1Cc2cc(F)ccc2O1 685952090 537832122 /nfs/dbraw/zinc/83/21/22/537832122.db2.gz UBNRQRAQEBKNRW-SECBINFHSA-N 0 0 196.177 1.302 10 0 ADAERN CC(C)(F)Cn1ccc(N)n1 685951036 537832134 /nfs/dbraw/zinc/83/21/34/537832134.db2.gz CIEXZZUYDUNAAZ-UHFFFAOYSA-N 0 0 157.192 1.213 10 0 ADAERN C[C@H]1C[C@@H]1Cn1ccc(N)n1 685951145 537832350 /nfs/dbraw/zinc/83/23/50/537832350.db2.gz MOMJMMZXXZOWQM-NKWVEPMBSA-N 0 0 151.213 1.121 10 0 ADAERN COC(=O)[C@H]1Cc2cccc(F)c2O1 685951489 537832600 /nfs/dbraw/zinc/83/26/00/537832600.db2.gz AMSYSFYLLDVQKR-MRVPVSSYSA-N 0 0 196.177 1.302 10 0 ADAERN COC(=O)[C@@H]1Cc2ccc(F)cc2O1 685951824 537832665 /nfs/dbraw/zinc/83/26/65/537832665.db2.gz HFIMDSVWHFALNB-VIFPVBQESA-N 0 0 196.177 1.302 10 0 ADAERN CCCCCn1ncc(N)n1 685951027 537832675 /nfs/dbraw/zinc/83/26/75/537832675.db2.gz AVXVANZNSPUGNJ-UHFFFAOYSA-N 0 0 154.217 1.051 10 0 ADAERN C[C@@H]1C[C@H]1Cn1ccc(N)n1 685951148 537832697 /nfs/dbraw/zinc/83/26/97/537832697.db2.gz MOMJMMZXXZOWQM-RQJHMYQMSA-N 0 0 151.213 1.121 10 0 ADAERN COC(=O)[C@@H]1Cc2cc(F)ccc2O1 685952091 537833018 /nfs/dbraw/zinc/83/30/18/537833018.db2.gz UBNRQRAQEBKNRW-VIFPVBQESA-N 0 0 196.177 1.302 10 0 ADAERN COC(=O)[C@@H]1COc2c(F)cccc21 685951989 537833052 /nfs/dbraw/zinc/83/30/52/537833052.db2.gz NSCDJQYELLDGMX-SSDOTTSWSA-N 0 0 196.177 1.475 10 0 ADAERN C[C@H]1C[C@H]1Cn1ccc(N)n1 685951144 537833373 /nfs/dbraw/zinc/83/33/73/537833373.db2.gz MOMJMMZXXZOWQM-BQBZGAKWSA-N 0 0 151.213 1.121 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1cc(N)cn1 685951100 537833473 /nfs/dbraw/zinc/83/34/73/537833473.db2.gz IWCCCJMJWVRFLR-RNFRBKRXSA-N 0 0 151.213 1.121 10 0 ADAERN COC(=O)[C@@H]1COc2c(C)cccc21 685951646 537833631 /nfs/dbraw/zinc/83/36/31/537833631.db2.gz DOPAWASLKHCCJW-SECBINFHSA-N 0 0 192.214 1.644 10 0 ADAERN Cc1nn(C2CCC2)cc1N 685951129 537833670 /nfs/dbraw/zinc/83/36/70/537833670.db2.gz LTJRZEJKFBNJAF-UHFFFAOYSA-N 0 0 151.213 1.499 10 0 ADAERN Cc1cc(N)nn1C1CCC1 685951071 537833827 /nfs/dbraw/zinc/83/38/27/537833827.db2.gz HRJZKIKMEBPXIW-UHFFFAOYSA-N 0 0 151.213 1.499 10 0 ADAERN CCCCCc1n[nH]nc1C(=O)OC 685952654 537834395 /nfs/dbraw/zinc/83/43/95/537834395.db2.gz BLLMKXWCRPPQGT-UHFFFAOYSA-N 0 0 197.238 1.324 10 0 ADAERN CCCn1nc2c(c1N)CSCC2 685952334 537834485 /nfs/dbraw/zinc/83/44/85/537834485.db2.gz GMESSWNHCPRVAB-UHFFFAOYSA-N 0 0 197.307 1.665 10 0 ADAERN Nc1cnn(CC=C(Cl)Cl)n1 685952219 537834786 /nfs/dbraw/zinc/83/47/86/537834786.db2.gz AXPMPRDIKYQMTD-UHFFFAOYSA-N 0 0 193.037 1.179 10 0 ADAERN CCc1n[nH]c2c1CSCC2 685952253 537835748 /nfs/dbraw/zinc/83/57/48/537835748.db2.gz CFNJVRJGGCEUFM-UHFFFAOYSA-N 0 0 168.265 1.761 10 0 ADAERN CCC[C@@H](C)c1n[nH]nc1C(=O)OC 685952875 537835978 /nfs/dbraw/zinc/83/59/78/537835978.db2.gz DTWUQOAATNHHQV-ZCFIWIBFSA-N 0 0 197.238 1.495 10 0 ADAERN CC[C@H]1CCc2nn(C)c(N)c2C1 685952387 537836557 /nfs/dbraw/zinc/83/65/57/537836557.db2.gz ISKBDTGNPCOBJL-ZETCQYMHSA-N 0 0 179.267 1.517 10 0 ADAERN Cc1[nH]nc2c1CSCC2 685952353 537836581 /nfs/dbraw/zinc/83/65/81/537836581.db2.gz HGBAPZCVQCEXEC-UHFFFAOYSA-N 0 0 154.238 1.507 10 0 ADAERN OC1(c2cnco2)CCCCC1 39116262 537836585 /nfs/dbraw/zinc/83/65/85/537836585.db2.gz YFKYLYSZXZRNKG-UHFFFAOYSA-N 0 0 167.208 1.826 10 0 ADAERN C/C(=C\Cl)Cn1cc(N)nn1 685952300 537836616 /nfs/dbraw/zinc/83/66/16/537836616.db2.gz DXBGRYDBXUZSDJ-GORDUTHDSA-N 0 0 172.619 1.003 10 0 ADAERN CCOC(=O)[C@H](O)C1(F)CCCC1 39112115 537836652 /nfs/dbraw/zinc/83/66/52/537836652.db2.gz ZRFSISRRFHDOGX-ZETCQYMHSA-N 0 0 190.214 1.193 10 0 ADAERN Nc1cn(CC=C(Cl)Cl)nn1 685952280 537836658 /nfs/dbraw/zinc/83/66/58/537836658.db2.gz CUYLQCGCPXFZDI-UHFFFAOYSA-N 0 0 193.037 1.179 10 0 ADAERN C[C@@H]1CCc2nn(C3CC3)c(N)c2C1 685952380 537836739 /nfs/dbraw/zinc/83/67/39/537836739.db2.gz IQQAHSAKGKWJLN-SSDOTTSWSA-N 0 0 191.278 1.925 10 0 ADAERN CCOC(=O)[C@@H](O)C1(F)CCCC1 39112116 537836762 /nfs/dbraw/zinc/83/67/62/537836762.db2.gz ZRFSISRRFHDOGX-SSDOTTSWSA-N 0 0 190.214 1.193 10 0 ADAERN CCn1nc2c(c1N)C[C@H](C)CC2 685952227 537836767 /nfs/dbraw/zinc/83/67/67/537836767.db2.gz BFMQZDJKBOANNJ-SSDOTTSWSA-N 0 0 179.267 1.610 10 0 ADAERN CCn1nc2c(c1N)C[C@@H](C)CC2 685952228 537837261 /nfs/dbraw/zinc/83/72/61/537837261.db2.gz BFMQZDJKBOANNJ-ZETCQYMHSA-N 0 0 179.267 1.610 10 0 ADAERN Cn1nc2c(c1N)CC(F)(F)CC2 685952882 537837333 /nfs/dbraw/zinc/83/73/33/537837333.db2.gz RCTBJTFYXWNGIW-UHFFFAOYSA-N 0 0 187.193 1.126 10 0 ADAERN C[C@H]1CCc2nn(C3CC3)c(N)c2C1 685952381 537837345 /nfs/dbraw/zinc/83/73/45/537837345.db2.gz IQQAHSAKGKWJLN-ZETCQYMHSA-N 0 0 191.278 1.925 10 0 ADAERN CCCCCCS(=O)(=O)NC 39651773 537837427 /nfs/dbraw/zinc/83/74/27/537837427.db2.gz APPLCDGNMRAWSW-UHFFFAOYSA-N 0 0 179.285 1.116 10 0 ADAERN CC[C@@H]1CCc2nn(C)c(N)c2C1 685952386 537837917 /nfs/dbraw/zinc/83/79/17/537837917.db2.gz ISKBDTGNPCOBJL-SSDOTTSWSA-N 0 0 179.267 1.517 10 0 ADAERN CCCCc1[nH]nc2c1COCC2 685952283 537838106 /nfs/dbraw/zinc/83/81/06/537838106.db2.gz CWALBKLFMFOPRW-UHFFFAOYSA-N 0 0 180.251 1.825 10 0 ADAERN C=Cc1cncc2cnn(C)c12 685952814 537838126 /nfs/dbraw/zinc/83/81/26/537838126.db2.gz QIGXOYLJFBLXRM-UHFFFAOYSA-N 0 0 159.192 1.611 10 0 ADAERN CCC[C@H](C)c1n[nH]nc1C(=O)OC 685952873 537838393 /nfs/dbraw/zinc/83/83/93/537838393.db2.gz DTWUQOAATNHHQV-LURJTMIESA-N 0 0 197.238 1.495 10 0 ADAERN CCCCn1nc2c(c1N)COCC2 685953228 537838758 /nfs/dbraw/zinc/83/87/58/537838758.db2.gz UXDPEZJRUNRSDB-UHFFFAOYSA-N 0 0 195.266 1.338 10 0 ADAERN COC(=O)c1n[nH]nc1[C@@H](C)C1CC1 685953191 537839025 /nfs/dbraw/zinc/83/90/25/537839025.db2.gz HHZALIAASWEGIE-YFKPBYRVSA-N 0 0 195.222 1.105 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)C(=O)CCN2C 685953837 537839518 /nfs/dbraw/zinc/83/95/18/537839518.db2.gz IZQUOGRNZAJYJQ-MWLCHTKSSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H]1CCC[C@@]2(C1)C(=O)CCN2C 685953833 537839564 /nfs/dbraw/zinc/83/95/64/537839564.db2.gz IZQUOGRNZAJYJQ-GXSJLCMTSA-N 0 0 181.279 1.840 10 0 ADAERN CCNc1nnc(C2CC2)s1 41650917 537839653 /nfs/dbraw/zinc/83/96/53/537839653.db2.gz ARLJBZBSFYAXMD-UHFFFAOYSA-N 0 0 169.253 1.847 10 0 ADAERN COC(=O)c1n[nH]nc1C1(C)CCC1 685953366 537839753 /nfs/dbraw/zinc/83/97/53/537839753.db2.gz JFUMLWXAKWNIBH-UHFFFAOYSA-N 0 0 195.222 1.033 10 0 ADAERN CC[C@@H](C)Cc1n[nH]nc1C(=O)OC 685953355 537840127 /nfs/dbraw/zinc/84/01/27/537840127.db2.gz IZPUBDMRYIZBHN-ZCFIWIBFSA-N 0 0 197.238 1.180 10 0 ADAERN COC(=O)c1n[nH]nc1[C@H](C)C1CC1 685953190 537840399 /nfs/dbraw/zinc/84/03/99/537840399.db2.gz HHZALIAASWEGIE-RXMQYKEDSA-N 0 0 195.222 1.105 10 0 ADAERN CC[C@H](C)Cc1n[nH]nc1C(=O)OC 685953354 537841266 /nfs/dbraw/zinc/84/12/66/537841266.db2.gz IZPUBDMRYIZBHN-LURJTMIESA-N 0 0 197.238 1.180 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)C(=O)CCN2C 685953835 537841630 /nfs/dbraw/zinc/84/16/30/537841630.db2.gz IZQUOGRNZAJYJQ-KOLCDFICSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H](COc1ccccc1)C(N)=O 41200760 537841637 /nfs/dbraw/zinc/84/16/37/537841637.db2.gz IMMBLUVHXGDCIY-MRVPVSSYSA-N 0 0 179.219 1.187 10 0 ADAERN CCC[C@H]1CCc2nn(C)c(N)c2C1 685953214 537841862 /nfs/dbraw/zinc/84/18/62/537841862.db2.gz UOMQKGOWZWNCFW-QMMMGPOBSA-N 0 0 193.294 1.907 10 0 ADAERN CC(C)[C@H]1CCc2nn(C)c(N)c2C1 685953317 537842068 /nfs/dbraw/zinc/84/20/68/537842068.db2.gz VTQLSSFMOLPMOQ-QMMMGPOBSA-N 0 0 193.294 1.763 10 0 ADAERN CCC[C@@H]1CCc2nn(C)c(N)c2C1 685953213 537842311 /nfs/dbraw/zinc/84/23/11/537842311.db2.gz UOMQKGOWZWNCFW-MRVPVSSYSA-N 0 0 193.294 1.907 10 0 ADAERN CC(C)[C@@H]1CCc2nn(C)c(N)c2C1 685953315 537842401 /nfs/dbraw/zinc/84/24/01/537842401.db2.gz VTQLSSFMOLPMOQ-MRVPVSSYSA-N 0 0 193.294 1.763 10 0 ADAERN CCc1n[nH]nc1C(=O)OC(C)(C)C 685953245 537842445 /nfs/dbraw/zinc/84/24/45/537842445.db2.gz JVIYICGCLWQUFO-UHFFFAOYSA-N 0 0 197.238 1.322 10 0 ADAERN C[C@H]1CCC[C@]2(C1)C(=O)CCN2C 685953840 537842550 /nfs/dbraw/zinc/84/25/50/537842550.db2.gz IZQUOGRNZAJYJQ-ONGXEEELSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H](CO)COc1ccccc1F 41202593 537843370 /nfs/dbraw/zinc/84/33/70/537843370.db2.gz RREWASUCOURCND-MRVPVSSYSA-N 0 0 184.210 1.833 10 0 ADAERN C[C@H]1C[C@@]2(C[C@@H](C)O1)C(=O)CCN2C 685954092 537843692 /nfs/dbraw/zinc/84/36/92/537843692.db2.gz LAKHNMQTKRFZCA-JZYVYDRUSA-N 0 0 197.278 1.217 10 0 ADAERN CCC(CC)c1n[nH]nc1C(=O)OC 685953978 537844028 /nfs/dbraw/zinc/84/40/28/537844028.db2.gz PPBJNWHZTWKCED-UHFFFAOYSA-N 0 0 197.238 1.495 10 0 ADAERN COC(=O)c1n[nH]nc1CCC(C)C 685953927 537844356 /nfs/dbraw/zinc/84/43/56/537844356.db2.gz OYAIIUJGDPUARK-UHFFFAOYSA-N 0 0 197.238 1.180 10 0 ADAERN CC[C@@H]1CCCC[C@H]1OCC(N)=O 43639357 537845119 /nfs/dbraw/zinc/84/51/19/537845119.db2.gz FVVUNOJGACWKLS-RKDXNWHRSA-N 0 0 185.267 1.457 10 0 ADAERN COCC(F)(F)CNC1CC1 685955680 537850588 /nfs/dbraw/zinc/85/05/88/537850588.db2.gz OASDGGWOKXZYMX-UHFFFAOYSA-N 0 0 165.183 1.020 10 0 ADAERN CCCOCC(F)(F)CNC1CC1 685955946 537852786 /nfs/dbraw/zinc/85/27/86/537852786.db2.gz VBZYJNPGEPFWFF-UHFFFAOYSA-N 0 0 193.237 1.800 10 0 ADAERN CNCC(F)(F)COCCC1CC1 685956646 537854222 /nfs/dbraw/zinc/85/42/22/537854222.db2.gz HNDGXWNJYXPOAX-UHFFFAOYSA-N 0 0 193.237 1.658 10 0 ADAERN C[C@H]1C[C@]2(C[C@@H](C)O1)C(=O)CCN2C 685954086 537846138 /nfs/dbraw/zinc/84/61/38/537846138.db2.gz LAKHNMQTKRFZCA-DOFRTFSJSA-N 0 0 197.278 1.217 10 0 ADAERN CC(C)c1nccn1CC[C@H](C)O 44184732 537846744 /nfs/dbraw/zinc/84/67/44/537846744.db2.gz SAVKGBAUXJXTIC-VIFPVBQESA-N 0 0 182.267 1.777 10 0 ADAERN CCc1nccn1CC[C@@H](C)O 44189483 537846773 /nfs/dbraw/zinc/84/67/73/537846773.db2.gz XSOMSRRDFKEZDG-MRVPVSSYSA-N 0 0 168.240 1.216 10 0 ADAERN CCn1cc(-c2cccc(N)n2)cn1 43462512 537847226 /nfs/dbraw/zinc/84/72/26/537847226.db2.gz ZHGSMMGASFGEMQ-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1OCC(N)=O 43639355 537847356 /nfs/dbraw/zinc/84/73/56/537847356.db2.gz FVVUNOJGACWKLS-BDAKNGLRSA-N 0 0 185.267 1.457 10 0 ADAERN CC[C@H]1CCCC[C@@H]1OCC(N)=O 43639356 537847714 /nfs/dbraw/zinc/84/77/14/537847714.db2.gz FVVUNOJGACWKLS-IUCAKERBSA-N 0 0 185.267 1.457 10 0 ADAERN 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537867055 /nfs/dbraw/zinc/86/70/55/537867055.db2.gz CMUDVIIYXRDURD-UHFFFAOYSA-N 0 0 196.206 1.514 10 0 ADAERN CC[C@H](N)C(=O)c1cncs1 74310926 537867272 /nfs/dbraw/zinc/86/72/72/537867272.db2.gz DSJSOUDBMSGMGW-YFKPBYRVSA-N 0 0 170.237 1.063 10 0 ADAERN CCOC(=O)c1noc([C@H](C)CC)n1 71047612 537867314 /nfs/dbraw/zinc/86/73/14/537867314.db2.gz RVXYUSYITKKKNO-ZCFIWIBFSA-N 0 0 198.222 1.760 10 0 ADAERN Nc1ccn(CCOC2CCCC2)n1 70946149 537867478 /nfs/dbraw/zinc/86/74/78/537867478.db2.gz GXFXCEQEYCTLFC-UHFFFAOYSA-N 0 0 195.266 1.425 10 0 ADAERN CCCc1ccc([C@@H](O)CO)cc1 71498204 537867684 /nfs/dbraw/zinc/86/76/84/537867684.db2.gz VGWYIVBGRSSIIH-NSHDSACASA-N 0 0 180.247 1.665 10 0 ADAERN CC(C)Oc1ccc([C@H](O)CO)cc1 71507319 537867809 /nfs/dbraw/zinc/86/78/09/537867809.db2.gz BUMQVUVJRSZTRV-LLVKDONJSA-N 0 0 196.246 1.500 10 0 ADAERN Nc1ccn(CCOC2CCC2)n1 70946287 537867933 /nfs/dbraw/zinc/86/79/33/537867933.db2.gz GVDBTBOMGAMADP-UHFFFAOYSA-N 0 0 181.239 1.034 10 0 ADAERN CCCCc1nc(C(=O)OCC)no1 71047624 537867991 /nfs/dbraw/zinc/86/79/91/537867991.db2.gz IWXCABOXPMGOLN-UHFFFAOYSA-N 0 0 198.222 1.589 10 0 ADAERN CC(C)CC[C@H]([NH3+])CC(=O)[O-] 74342000 537868008 /nfs/dbraw/zinc/86/80/08/537868008.db2.gz XRPJKCWKLKTFIQ-ZETCQYMHSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@@H](N)C(=O)c1cncs1 74310929 537868623 /nfs/dbraw/zinc/86/86/23/537868623.db2.gz DSJSOUDBMSGMGW-RXMQYKEDSA-N 0 0 170.237 1.063 10 0 ADAERN CC(C)CC[C@@H]([NH3+])CC(=O)[O-] 74342003 537868855 /nfs/dbraw/zinc/86/88/55/537868855.db2.gz XRPJKCWKLKTFIQ-SSDOTTSWSA-N 0 0 159.229 1.225 10 0 ADAERN CCOC(=O)c1noc(CC2CC2)n1 71047709 537868904 /nfs/dbraw/zinc/86/89/04/537868904.db2.gz FGUBYQDULNRMDR-UHFFFAOYSA-N 0 0 196.206 1.199 10 0 ADAERN COc1ccc2c(c1)N[C@H](C)[C@H](O)C2 685963192 537869366 /nfs/dbraw/zinc/86/93/66/537869366.db2.gz IVDJRBLPOXFNBV-RDDDGLTNSA-N 0 0 193.246 1.413 10 0 ADAERN COc1cccc2c1C[C@H](O)[C@H](C)N2 685963466 537869445 /nfs/dbraw/zinc/86/94/45/537869445.db2.gz OZAWXQOOMSJJOQ-XVKPBYJWSA-N 0 0 193.246 1.413 10 0 ADAERN CC[C@H](N)C(=O)c1nccs1 685962658 537869461 /nfs/dbraw/zinc/86/94/61/537869461.db2.gz NPKMLYSTTDUQDL-YFKPBYRVSA-N 0 0 170.237 1.063 10 0 ADAERN COc1ccc2c(c1)C[C@H](O)[C@@H](C)N2 685963357 537869536 /nfs/dbraw/zinc/86/95/36/537869536.db2.gz MNPYKKZHINYJDA-HQJQHLMTSA-N 0 0 193.246 1.413 10 0 ADAERN COc1ccc2c(c1)N[C@H](C)[C@@H](O)C2 685963191 537869572 /nfs/dbraw/zinc/86/95/72/537869572.db2.gz IVDJRBLPOXFNBV-HQJQHLMTSA-N 0 0 193.246 1.413 10 0 ADAERN O[C@H]1Cc2ccccc2N[C@H]1C(F)F 685963413 537869608 /nfs/dbraw/zinc/86/96/08/537869608.db2.gz NSZKITDQDYICQK-DTWKUNHWSA-N 0 0 199.200 1.649 10 0 ADAERN CC[C@@H](N)C(=O)c1nccs1 685962657 537869623 /nfs/dbraw/zinc/86/96/23/537869623.db2.gz NPKMLYSTTDUQDL-RXMQYKEDSA-N 0 0 170.237 1.063 10 0 ADAERN CC(C)C(=O)c1cnc(N)s1 685962889 537869754 /nfs/dbraw/zinc/86/97/54/537869754.db2.gz YXNKBHZVVWEDEK-UHFFFAOYSA-N 0 0 170.237 1.564 10 0 ADAERN COc1cccc2c1N[C@H](C)[C@@H](O)C2 685962911 537869783 /nfs/dbraw/zinc/86/97/83/537869783.db2.gz ABOCFWFEHAOCKR-APPZFPTMSA-N 0 0 193.246 1.413 10 0 ADAERN CN(C)c1ccc2nc(N)oc2c1 75843774 537869872 /nfs/dbraw/zinc/86/98/72/537869872.db2.gz GCMBIRMXMCZAML-UHFFFAOYSA-N 0 0 177.207 1.476 10 0 ADAERN Cc1cccc2c1N[C@@H](C)[C@H](O)C2 685963151 537869877 /nfs/dbraw/zinc/86/98/77/537869877.db2.gz HTRAVIFAULMJEA-WCBMZHEXSA-N 0 0 177.247 1.712 10 0 ADAERN Cc1ccc2c(c1)C[C@H](O)[C@@H](C)N2 685962964 537869901 /nfs/dbraw/zinc/86/99/01/537869901.db2.gz CCUHPROGOHBMCF-KCJUWKMLSA-N 0 0 177.247 1.712 10 0 ADAERN CCc1cccc2c1N[C@@H](C)[C@H](O)C2 685963453 537869914 /nfs/dbraw/zinc/86/99/14/537869914.db2.gz OUWCGKXRFJSBLS-GZMMTYOYSA-N 0 0 191.274 1.966 10 0 ADAERN Cc1cccc2c1N[C@H](C)[C@H](O)C2 685963149 537870134 /nfs/dbraw/zinc/87/01/34/537870134.db2.gz HTRAVIFAULMJEA-PSASIEDQSA-N 0 0 177.247 1.712 10 0 ADAERN O[C@H]1Cc2ccccc2N[C@@H]1C(F)F 685963414 537870177 /nfs/dbraw/zinc/87/01/77/537870177.db2.gz NSZKITDQDYICQK-IUCAKERBSA-N 0 0 199.200 1.649 10 0 ADAERN Cc1cccc2c1N[C@@H](C)[C@@H](O)C2 685963152 537870158 /nfs/dbraw/zinc/87/01/58/537870158.db2.gz HTRAVIFAULMJEA-WPRPVWTQSA-N 0 0 177.247 1.712 10 0 ADAERN COc1cccc2c1C[C@@H](O)[C@@H](C)N2 685963463 537870211 /nfs/dbraw/zinc/87/02/11/537870211.db2.gz OZAWXQOOMSJJOQ-GMSGAONNSA-N 0 0 193.246 1.413 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](O)[C@H](C)N2 685962963 537870245 /nfs/dbraw/zinc/87/02/45/537870245.db2.gz CCUHPROGOHBMCF-GZMMTYOYSA-N 0 0 177.247 1.712 10 0 ADAERN Cc1nc2ccc(N)cc2cc1O 685963033 537870318 /nfs/dbraw/zinc/87/03/18/537870318.db2.gz FEVXLRJBHQNUQQ-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN Cc1nc2ccc(F)cc2cc1NN 685962958 537870351 /nfs/dbraw/zinc/87/03/51/537870351.db2.gz BSTKDNPRFCCCSV-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN CCc1cccc2c1N[C@H](C)[C@@H](O)C2 685963454 537870420 /nfs/dbraw/zinc/87/04/20/537870420.db2.gz OUWCGKXRFJSBLS-KCJUWKMLSA-N 0 0 191.274 1.966 10 0 ADAERN COc1ccc2c(c1)C[C@H](O)[C@H](C)N2 685963356 537870575 /nfs/dbraw/zinc/87/05/75/537870575.db2.gz MNPYKKZHINYJDA-CPCISQLKSA-N 0 0 193.246 1.413 10 0 ADAERN COc1ccc2c(c1)C[C@@H](O)[C@H](C)N2 685963359 537870533 /nfs/dbraw/zinc/87/05/33/537870533.db2.gz MNPYKKZHINYJDA-WRWORJQWSA-N 0 0 193.246 1.413 10 0 ADAERN COc1ccc2c(c1)N[C@@H](C)[C@H](O)C2 685963193 537870648 /nfs/dbraw/zinc/87/06/48/537870648.db2.gz IVDJRBLPOXFNBV-WRWORJQWSA-N 0 0 193.246 1.413 10 0 ADAERN COc1ccc2c(c1)N[C@@H](C)[C@@H](O)C2 685963190 537870684 /nfs/dbraw/zinc/87/06/84/537870684.db2.gz IVDJRBLPOXFNBV-CPCISQLKSA-N 0 0 193.246 1.413 10 0 ADAERN O[C@@H]1Cc2ccccc2N[C@H]1C(F)F 685963415 537870694 /nfs/dbraw/zinc/87/06/94/537870694.db2.gz NSZKITDQDYICQK-RKDXNWHRSA-N 0 0 199.200 1.649 10 0 ADAERN Cc1nc2cc(F)ccc2cc1NN 685963008 537870855 /nfs/dbraw/zinc/87/08/55/537870855.db2.gz DBIFOYMSOALUAE-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1ccc2c(c1)C[C@H](O)[C@H](C)N2 685962965 537870882 /nfs/dbraw/zinc/87/08/82/537870882.db2.gz CCUHPROGOHBMCF-KWQFWETISA-N 0 0 177.247 1.712 10 0 ADAERN CC(=O)c1nc(CN)sc1C 685962732 537870892 /nfs/dbraw/zinc/87/08/92/537870892.db2.gz RMBMUCOMGANITJ-UHFFFAOYSA-N 0 0 170.237 1.113 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](O)[C@@H](C)N2 685962966 537870923 /nfs/dbraw/zinc/87/09/23/537870923.db2.gz CCUHPROGOHBMCF-LDYMZIIASA-N 0 0 177.247 1.712 10 0 ADAERN Cc1cccc2c1N[C@H](C)[C@@H](O)C2 685963150 537870959 /nfs/dbraw/zinc/87/09/59/537870959.db2.gz HTRAVIFAULMJEA-SCZZXKLOSA-N 0 0 177.247 1.712 10 0 ADAERN CCc1cccc2c1N[C@H](C)[C@H](O)C2 685963456 537871077 /nfs/dbraw/zinc/87/10/77/537871077.db2.gz OUWCGKXRFJSBLS-LDYMZIIASA-N 0 0 191.274 1.966 10 0 ADAERN COc1cccc2c1C[C@H](O)[C@@H](C)N2 685963465 537871114 /nfs/dbraw/zinc/87/11/14/537871114.db2.gz OZAWXQOOMSJJOQ-XCBNKYQSSA-N 0 0 193.246 1.413 10 0 ADAERN COc1ccc2c(c1)C[C@@H](O)[C@@H](C)N2 685963358 537871249 /nfs/dbraw/zinc/87/12/49/537871249.db2.gz MNPYKKZHINYJDA-RDDDGLTNSA-N 0 0 193.246 1.413 10 0 ADAERN CCCC(=O)c1cnc(N)s1 685962846 537871288 /nfs/dbraw/zinc/87/12/88/537871288.db2.gz XLZANLRZSLVBFK-UHFFFAOYSA-N 0 0 170.237 1.708 10 0 ADAERN COc1cccc2c1N[C@@H](C)[C@H](O)C2 685962913 537871446 /nfs/dbraw/zinc/87/14/46/537871446.db2.gz ABOCFWFEHAOCKR-IONNQARKSA-N 0 0 193.246 1.413 10 0 ADAERN O[C@@H]1Cc2ccccc2N[C@@H]1C(F)F 685963412 537871466 /nfs/dbraw/zinc/87/14/66/537871466.db2.gz NSZKITDQDYICQK-BDAKNGLRSA-N 0 0 199.200 1.649 10 0 ADAERN COc1cccc2c1N[C@H](C)[C@H](O)C2 685962914 537871496 /nfs/dbraw/zinc/87/14/96/537871496.db2.gz ABOCFWFEHAOCKR-VXNVDRBHSA-N 0 0 193.246 1.413 10 0 ADAERN CCCC(=O)NCc1csc(N)n1 74801307 537871600 /nfs/dbraw/zinc/87/16/00/537871600.db2.gz HURPLYJEPCQRGY-UHFFFAOYSA-N 0 0 199.279 1.142 10 0 ADAERN COc1cccc2c1C[C@@H](O)[C@H](C)N2 685963464 537871610 /nfs/dbraw/zinc/87/16/10/537871610.db2.gz OZAWXQOOMSJJOQ-OIBJUYFYSA-N 0 0 193.246 1.413 10 0 ADAERN CCc1cccc2c1N[C@@H](C)[C@@H](O)C2 685963455 537871723 /nfs/dbraw/zinc/87/17/23/537871723.db2.gz OUWCGKXRFJSBLS-KWQFWETISA-N 0 0 191.274 1.966 10 0 ADAERN CCC(=O)c1cnc(CN)s1 685962537 537871828 /nfs/dbraw/zinc/87/18/28/537871828.db2.gz MEGFAPXWCSPCCO-UHFFFAOYSA-N 0 0 170.237 1.195 10 0 ADAERN CC1(C)CCC([C@@H](C[NH3+])C(=O)[O-])CC1 76637873 537872086 /nfs/dbraw/zinc/87/20/86/537872086.db2.gz HQASZJDQDWRTOA-SECBINFHSA-N 0 0 199.294 1.862 10 0 ADAERN Nc1ccc2c(N)c[nH]c2c1 76577337 537872157 /nfs/dbraw/zinc/87/21/57/537872157.db2.gz HZJVKOXZRILGHC-UHFFFAOYSA-N 0 0 147.181 1.332 10 0 ADAERN C=C(OCC)c1cnc(N)s1 685964804 537872422 /nfs/dbraw/zinc/87/24/22/537872422.db2.gz DUJJUESKVLVONK-UHFFFAOYSA-N 0 0 170.237 1.733 10 0 ADAERN CO[C@@H]1CCC[C@H](n2cnc(N)c2)C1 685964220 537872466 /nfs/dbraw/zinc/87/24/66/537872466.db2.gz PRORUYVGFPQEHY-DTWKUNHWSA-N 0 0 195.266 1.595 10 0 ADAERN COC(=O)c1cc(N)cn1C(F)F 685964241 537872475 /nfs/dbraw/zinc/87/24/75/537872475.db2.gz UXQZSJNLKXSJGQ-UHFFFAOYSA-N 0 0 190.149 1.252 10 0 ADAERN C=C(OCC)c1nccc(C)c1N 685965000 537872551 /nfs/dbraw/zinc/87/25/51/537872551.db2.gz KFPHBNAZQFABQU-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN C=C(OCC)c1cnc(N)c(C)c1 685965047 537872599 /nfs/dbraw/zinc/87/25/99/537872599.db2.gz MDZBXHGAYVOBFX-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN Cc1nc2c(F)cccc2cc1NN 685963801 537872629 /nfs/dbraw/zinc/87/26/29/537872629.db2.gz XGCZSSDZUMZWIS-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN C=C(OCC)c1ncc(F)c(N)n1 685965077 537872677 /nfs/dbraw/zinc/87/26/77/537872677.db2.gz OBPVUVBXTPSFES-UHFFFAOYSA-N 0 0 183.186 1.205 10 0 ADAERN CO[C@@H]1CCCC[C@@H]1n1cnc(N)c1 685964254 537872714 /nfs/dbraw/zinc/87/27/14/537872714.db2.gz YNBXDNCQIWOWEQ-DTWKUNHWSA-N 0 0 195.266 1.595 10 0 ADAERN Nc1cn(C[C@H]2Cc3ccccc32)cn1 685964143 537872743 /nfs/dbraw/zinc/87/27/43/537872743.db2.gz AHHFDCMHAQOSLL-SNVBAGLBSA-N 0 0 199.257 1.805 10 0 ADAERN CO[C@H]1CCCC[C@H]1n1cnc(N)c1 685964253 537872815 /nfs/dbraw/zinc/87/28/15/537872815.db2.gz YNBXDNCQIWOWEQ-BDAKNGLRSA-N 0 0 195.266 1.595 10 0 ADAERN C=C(OCC)c1cnccc1C=O 685965037 537873471 /nfs/dbraw/zinc/87/34/71/537873471.db2.gz LUUXPLUCKRINIF-UHFFFAOYSA-N 0 0 177.203 1.901 10 0 ADAERN C[C@H]([NH3+])c1nn(CC(C)(C)C)cc1[O-] 685965434 537878530 /nfs/dbraw/zinc/87/85/30/537878530.db2.gz DIXMDCFWZVYVDH-ZETCQYMHSA-N 0 0 197.282 1.655 10 0 ADAERN CCc1ccc2c(c1)C[C@H](O)[C@H](C)N2 685963637 537872936 /nfs/dbraw/zinc/87/29/36/537872936.db2.gz UPCNQMQGRWPVPX-UFBFGSQYSA-N 0 0 191.274 1.966 10 0 ADAERN Cn1nncc1/C=C/Br 685964630 537872965 /nfs/dbraw/zinc/87/29/65/537872965.db2.gz PYSABSGRMXZTRO-NSCUHMNNSA-N 0 0 188.028 1.181 10 0 ADAERN C=C(OCC)c1ncc(C)cc1N 685964928 537873103 /nfs/dbraw/zinc/87/31/03/537873103.db2.gz GWQCRBUWBFTWAT-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN CCc1ccc2c(c1)C[C@@H](O)[C@H](C)N2 685963635 537873173 /nfs/dbraw/zinc/87/31/73/537873173.db2.gz UPCNQMQGRWPVPX-QPUJVOFHSA-N 0 0 191.274 1.966 10 0 ADAERN Nc1ccc2c(c1)CC(=O)N2C(F)F 685964227 537873262 /nfs/dbraw/zinc/87/32/62/537873262.db2.gz RSXDLENODQKECJ-UHFFFAOYSA-N 0 0 198.172 1.381 10 0 ADAERN Cn1cnc(/C=C/Br)c1 685964498 537873325 /nfs/dbraw/zinc/87/33/25/537873325.db2.gz JZXWKSFGZTUMCM-NSCUHMNNSA-N 0 0 187.040 1.786 10 0 ADAERN C=C(OCC)c1ccnc(N)c1 685965018 537873380 /nfs/dbraw/zinc/87/33/80/537873380.db2.gz KWVLNNGBARWBTD-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN Cn1cc(/C=C/Br)nn1 685964087 537873404 /nfs/dbraw/zinc/87/34/04/537873404.db2.gz UVUYNOIHJMZFRE-NSCUHMNNSA-N 0 0 188.028 1.181 10 0 ADAERN CC1(/C=C/Br)COC1 685964497 537873567 /nfs/dbraw/zinc/87/35/67/537873567.db2.gz JXPZVLUUBYAEJT-NSCUHMNNSA-N 0 0 177.041 1.932 10 0 ADAERN C=C(OCC)c1ccc(N)cn1 685964686 537873581 /nfs/dbraw/zinc/87/35/81/537873581.db2.gz BSIDOQAPDYOVIT-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN CO[C@@H]1CCCC[C@H]1n1cnc(N)c1 685964256 537873606 /nfs/dbraw/zinc/87/36/06/537873606.db2.gz YNBXDNCQIWOWEQ-RKDXNWHRSA-N 0 0 195.266 1.595 10 0 ADAERN Cn1ccc(/C=C/Br)n1 685964135 537873626 /nfs/dbraw/zinc/87/36/26/537873626.db2.gz ZEGVRNSFYCQQCV-DUXPYHPUSA-N 0 0 187.040 1.786 10 0 ADAERN CC(C)CCCn1cc(N)cn1 77262431 537873636 /nfs/dbraw/zinc/87/36/36/537873636.db2.gz FICGVAQXHTZBJI-UHFFFAOYSA-N 0 0 167.256 1.902 10 0 ADAERN Nc1cn(C[C@@H]2Cc3ccccc32)cn1 685964142 537873709 /nfs/dbraw/zinc/87/37/09/537873709.db2.gz AHHFDCMHAQOSLL-JTQLQIEISA-N 0 0 199.257 1.805 10 0 ADAERN Br/C=C/c1cnon1 685964834 537873757 /nfs/dbraw/zinc/87/37/57/537873757.db2.gz VQAAIMGBKGBFSS-OWOJBTEDSA-N 0 0 174.985 1.435 10 0 ADAERN C=C(OCC)c1nc(C)nc(Cl)n1 685965016 537873780 /nfs/dbraw/zinc/87/37/80/537873780.db2.gz KVPXRWCNAWIXDV-UHFFFAOYSA-N 0 0 199.641 1.841 10 0 ADAERN COC1(CCn2cnc(N)c2)CCC1 685964237 537873788 /nfs/dbraw/zinc/87/37/88/537873788.db2.gz UFVKPUOWVJOCCJ-UHFFFAOYSA-N 0 0 195.266 1.425 10 0 ADAERN C=C(OCC)c1c(C)nn(C)c1N 685965008 537873804 /nfs/dbraw/zinc/87/38/04/537873804.db2.gz KMMCHALWCFJAJP-UHFFFAOYSA-N 0 0 181.239 1.318 10 0 ADAERN C=C(OCC)c1ccc(N)nc1C 685964867 537873819 /nfs/dbraw/zinc/87/38/19/537873819.db2.gz FJSZIXJCEBIODC-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN CC1(C)CCC([C@H](C[NH3+])C(=O)[O-])CC1 76637875 537873829 /nfs/dbraw/zinc/87/38/29/537873829.db2.gz HQASZJDQDWRTOA-VIFPVBQESA-N 0 0 199.294 1.862 10 0 ADAERN CC(C)CCOCCn1cnc(N)c1 685964226 537873830 /nfs/dbraw/zinc/87/38/30/537873830.db2.gz RPOOSAAXGGHDQI-UHFFFAOYSA-N 0 0 197.282 1.528 10 0 ADAERN BrC=Cc1c[nH]cn1 685963826 537873881 /nfs/dbraw/zinc/87/38/81/537873881.db2.gz HDAFOTXPIYNFMQ-OWOJBTEDSA-N 0 0 173.013 1.775 10 0 ADAERN C=C(OCC)c1cc(C)c(N)cn1 685964768 537873896 /nfs/dbraw/zinc/87/38/96/537873896.db2.gz CYXVWCWQDHQCNJ-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN CO[C@@H]1CCC[C@@H](n2cnc(N)c2)C1 685964222 537873924 /nfs/dbraw/zinc/87/39/24/537873924.db2.gz PRORUYVGFPQEHY-RKDXNWHRSA-N 0 0 195.266 1.595 10 0 ADAERN C=C(OCC)c1cc(OC)nc(N)n1 685964941 537873936 /nfs/dbraw/zinc/87/39/36/537873936.db2.gz HNWPWXSNAMISTH-UHFFFAOYSA-N 0 0 195.222 1.075 10 0 ADAERN Nc1cn(CCC[C@H]2CCCO2)cn1 685964249 537873944 /nfs/dbraw/zinc/87/39/44/537873944.db2.gz XRZZQFBJHZLORH-VIFPVBQESA-N 0 0 195.266 1.425 10 0 ADAERN Cc1ccc2nc(C(N)=S)oc2c1 75851993 537873956 /nfs/dbraw/zinc/87/39/56/537873956.db2.gz DEXNKEXGMWJFIK-UHFFFAOYSA-N 0 0 192.243 1.770 10 0 ADAERN Nc1cn(CCC[C@@H]2CCCO2)cn1 685964248 537873980 /nfs/dbraw/zinc/87/39/80/537873980.db2.gz XRZZQFBJHZLORH-SECBINFHSA-N 0 0 195.266 1.425 10 0 ADAERN CO[C@H]1CCC[C@@H](n2cnc(N)c2)C1 685964219 537874124 /nfs/dbraw/zinc/87/41/24/537874124.db2.gz PRORUYVGFPQEHY-BDAKNGLRSA-N 0 0 195.266 1.595 10 0 ADAERN C=C(OCC)c1ncnc(Cl)c1N 685964874 537874258 /nfs/dbraw/zinc/87/42/58/537874258.db2.gz FMEZQEKHRFVEBG-UHFFFAOYSA-N 0 0 199.641 1.719 10 0 ADAERN C=C(OCC)c1cc(C=O)n(C)n1 685964628 537874282 /nfs/dbraw/zinc/87/42/82/537874282.db2.gz AQVMOAJPOJQWLF-UHFFFAOYSA-N 0 0 180.207 1.240 10 0 ADAERN CO[C@H]1CCC[C@H](n2cnc(N)c2)C1 685964221 537874292 /nfs/dbraw/zinc/87/42/92/537874292.db2.gz PRORUYVGFPQEHY-IUCAKERBSA-N 0 0 195.266 1.595 10 0 ADAERN C=C(OCC)c1ncccc1O 685964983 537874368 /nfs/dbraw/zinc/87/43/68/537874368.db2.gz JMIVUMBCJWHSAV-UHFFFAOYSA-N 0 0 165.192 1.794 10 0 ADAERN Cn1ncnc1/C=C/Br 685964362 537874391 /nfs/dbraw/zinc/87/43/91/537874391.db2.gz CDQRUXIBCKPWCT-NSCUHMNNSA-N 0 0 188.028 1.181 10 0 ADAERN CCc1ccc2c(c1)C[C@H](O)[C@@H](C)N2 685963633 537874485 /nfs/dbraw/zinc/87/44/85/537874485.db2.gz UPCNQMQGRWPVPX-PELKAZGASA-N 0 0 191.274 1.966 10 0 ADAERN COCC1(Cn2cnc(N)c2)CCC1 685964187 537874545 /nfs/dbraw/zinc/87/45/45/537874545.db2.gz IZFYSLHWWIAWSR-UHFFFAOYSA-N 0 0 195.266 1.282 10 0 ADAERN C=C(OCC)c1ccc(N)c(N)c1 685964702 537874602 /nfs/dbraw/zinc/87/46/02/537874602.db2.gz BYITZPHTIWCRRO-UHFFFAOYSA-N 0 0 178.235 1.858 10 0 ADAERN Cc1c(N)ccc(=O)n1C(F)F 685964225 537874672 /nfs/dbraw/zinc/87/46/72/537874672.db2.gz RNFAXLFKVWNGGY-UHFFFAOYSA-N 0 0 174.150 1.134 10 0 ADAERN Nc1cn(CCC2CCOCC2)cn1 685964169 537874696 /nfs/dbraw/zinc/87/46/96/537874696.db2.gz DNSVRNDEVJLOKP-UHFFFAOYSA-N 0 0 195.266 1.282 10 0 ADAERN C=C(OCC)c1ncc(N)cc1C 685965052 537874711 /nfs/dbraw/zinc/87/47/11/537874711.db2.gz MIKLSPMWXKOKRS-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN C=C(OCC)c1ncccc1N 685964770 537874719 /nfs/dbraw/zinc/87/47/19/537874719.db2.gz DBAMGJYJQUDIPM-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN C=C(OCC)c1cncc(O)c1 685964618 537874845 /nfs/dbraw/zinc/87/48/45/537874845.db2.gz AACOYKVEGLAFFZ-UHFFFAOYSA-N 0 0 165.192 1.794 10 0 ADAERN COC(CC(=O)[C@@H]1CC1(C)C)OC 78701348 537875021 /nfs/dbraw/zinc/87/50/21/537875021.db2.gz SDYXUNFIWKEAGY-ZETCQYMHSA-N 0 0 186.251 1.611 10 0 ADAERN Cc1cc(=O)n(C(F)F)cc1N 685964145 537875056 /nfs/dbraw/zinc/87/50/56/537875056.db2.gz BDVUVAJROJOKKV-UHFFFAOYSA-N 0 0 174.150 1.134 10 0 ADAERN C=C(OCC)c1ccncc1N 685964764 537875162 /nfs/dbraw/zinc/87/51/62/537875162.db2.gz CWYGNWCTHCCWLJ-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN C=C(OCC)c1cc(N)ccn1 685965074 537875176 /nfs/dbraw/zinc/87/51/76/537875176.db2.gz NYNYWKKLIBBBFU-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN CCc1ccc2c(c1)C[C@@H](O)[C@@H](C)N2 685963634 537875195 /nfs/dbraw/zinc/87/51/95/537875195.db2.gz UPCNQMQGRWPVPX-PRHODGIISA-N 0 0 191.274 1.966 10 0 ADAERN Br/C=C/c1ncc[nH]1 685964100 537875272 /nfs/dbraw/zinc/87/52/72/537875272.db2.gz VZCLSQFHLGVUCE-OWOJBTEDSA-N 0 0 173.013 1.775 10 0 ADAERN CO[C@H]1CCCC[C@@H]1n1cnc(N)c1 685964255 537875305 /nfs/dbraw/zinc/87/53/05/537875305.db2.gz YNBXDNCQIWOWEQ-IUCAKERBSA-N 0 0 195.266 1.595 10 0 ADAERN C=C(OCC)c1cncc(N)c1C 685964870 537875363 /nfs/dbraw/zinc/87/53/63/537875363.db2.gz FLNNAWKCJQTKSW-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN Cc1nn(C(=O)C2CC2)c(C)c1C[NH3+] 82255221 537875669 /nfs/dbraw/zinc/87/56/69/537875669.db2.gz YKEAORNZUMQKJT-UHFFFAOYSA-N 0 0 193.250 1.009 10 0 ADAERN C[C@@H]1C[C@@]2(CCNC(=O)O2)CCO1 685965116 537875702 /nfs/dbraw/zinc/87/57/02/537875702.db2.gz PIDUWIQTIAGXFI-VXNVDRBHSA-N 0 0 185.223 1.054 10 0 ADAERN C=C(OCC)c1cnn2c1NCC2 685965142 537875714 /nfs/dbraw/zinc/87/57/14/537875714.db2.gz PZYPSUJKCWYGAO-UHFFFAOYSA-N 0 0 179.223 1.316 10 0 ADAERN C[C@@H]([NH3+])c1nn(CC2CC2)cc1[O-] 685965643 537875732 /nfs/dbraw/zinc/87/57/32/537875732.db2.gz MREKZDMGRYJZFA-ZCFIWIBFSA-N 0 0 181.239 1.018 10 0 ADAERN C=C(OCC)c1ccc(C)nc1N 685965118 537875744 /nfs/dbraw/zinc/87/57/44/537875744.db2.gz PITLNEMPRIFDLP-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN CCCOCn1nc(C)c(N)c1C 709719695 537875760 /nfs/dbraw/zinc/87/57/60/537875760.db2.gz OUMSASHBAQJTIE-UHFFFAOYSA-N 0 0 183.255 1.466 10 0 ADAERN C=C(OCC)c1ccnc(N)n1 685965320 537875771 /nfs/dbraw/zinc/87/57/71/537875771.db2.gz ZQVVBLFRCDXDPR-UHFFFAOYSA-N 0 0 165.196 1.066 10 0 ADAERN C=C(OCC)c1nn(C)cc1C=O 685965370 537875776 /nfs/dbraw/zinc/87/57/76/537875776.db2.gz BGYDJEYFBXORJO-UHFFFAOYSA-N 0 0 180.207 1.240 10 0 ADAERN CC(C)n1cc([O-])c([C@H](C)[NH3+])n1 685965431 537875828 /nfs/dbraw/zinc/87/58/28/537875828.db2.gz DFDVJWAHKFBNAM-LURJTMIESA-N 0 0 169.228 1.189 10 0 ADAERN Nc1ccc2cn(CCCO)nc2c1 685965710 537875837 /nfs/dbraw/zinc/87/58/37/537875837.db2.gz PTAVEELNKFKJQW-UHFFFAOYSA-N 0 0 191.234 1.001 10 0 ADAERN C=C(OCC)c1ccc(N)nc1 685965300 537875844 /nfs/dbraw/zinc/87/58/44/537875844.db2.gz YTHGLOTZHAHWCY-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN CC(=O)c1nn(CC(C)C)cc1[O-] 685965500 537875924 /nfs/dbraw/zinc/87/59/24/537875924.db2.gz HBXBCVFXTLQFLB-UHFFFAOYSA-N 0 0 182.223 1.447 10 0 ADAERN CCC(CC)n1cc([O-])c([C@H](C)[NH3+])n1 685965513 537875915 /nfs/dbraw/zinc/87/59/15/537875915.db2.gz HMGWCDSLZWTZGU-ZETCQYMHSA-N 0 0 197.282 1.970 10 0 ADAERN CCCOCn1c(C)c(N)ccc1=O 709722382 537875962 /nfs/dbraw/zinc/87/59/62/537875962.db2.gz ZNOBKTFAKQZREY-UHFFFAOYSA-N 0 0 196.250 1.123 10 0 ADAERN COCn1cc2ccc(N)cc2n1 685965737 537876038 /nfs/dbraw/zinc/87/60/38/537876038.db2.gz QSTRVYVKFYWCPR-UHFFFAOYSA-N 0 0 177.207 1.222 10 0 ADAERN CCC(CC)n1cc([O-])c([C@@H](C)[NH3+])n1 685965512 537876058 /nfs/dbraw/zinc/87/60/58/537876058.db2.gz HMGWCDSLZWTZGU-SSDOTTSWSA-N 0 0 197.282 1.970 10 0 ADAERN C=C(OCC)c1cnc(N)nc1 685965425 537876101 /nfs/dbraw/zinc/87/61/01/537876101.db2.gz CXTCXXNRCXNSGF-UHFFFAOYSA-N 0 0 165.196 1.066 10 0 ADAERN CC(=O)Nc1cccc(CCCO)c1 79273338 537876112 /nfs/dbraw/zinc/87/61/12/537876112.db2.gz YYYQXYYGDKSHTK-UHFFFAOYSA-N 0 0 193.246 1.570 10 0 ADAERN C=C(OCC)c1c(N)cnn1C 685965263 537876164 /nfs/dbraw/zinc/87/61/64/537876164.db2.gz WOLNNSHFJAGGHC-UHFFFAOYSA-N 0 0 167.212 1.010 10 0 ADAERN Nc1ccc2cn(CC(F)F)nc2c1 685965448 537876172 /nfs/dbraw/zinc/87/61/72/537876172.db2.gz DXGXYMVTZQDGKR-UHFFFAOYSA-N 0 0 197.188 1.884 10 0 ADAERN CCCCn1cc([O-])c([C@H](C)[NH3+])n1 685965700 537876179 /nfs/dbraw/zinc/87/61/79/537876179.db2.gz PDEXDIMCZLLBHU-ZETCQYMHSA-N 0 0 183.255 1.409 10 0 ADAERN CC(=O)c1nn(CC(C)(C)C)cc1[O-] 685965381 537876211 /nfs/dbraw/zinc/87/62/11/537876211.db2.gz BUTQYLHQNLSNGG-UHFFFAOYSA-N 0 0 196.250 1.837 10 0 ADAERN CC(C)Cn1cc([O-])c([C@H](C)[NH3+])n1 685965771 537876281 /nfs/dbraw/zinc/87/62/81/537876281.db2.gz SDVFQSQSBWOKLJ-ZETCQYMHSA-N 0 0 183.255 1.264 10 0 ADAERN C=C(OCC)c1cccc(N)n1 685965161 537876320 /nfs/dbraw/zinc/87/63/20/537876320.db2.gz RNMWWWXYEBCOBD-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN C=C(OCC)c1ccc(O)cn1 685965748 537876381 /nfs/dbraw/zinc/87/63/81/537876381.db2.gz RENAKGMEKMPCEQ-UHFFFAOYSA-N 0 0 165.192 1.794 10 0 ADAERN CCCn1cc([O-])c([C@H](C)[NH3+])n1 685965617 537876387 /nfs/dbraw/zinc/87/63/87/537876387.db2.gz LKVGJKRTLJTIAC-LURJTMIESA-N 0 0 169.228 1.018 10 0 ADAERN C[C@H]1C[C@@]2(CCNC(=O)O2)CCO1 685965115 537876394 /nfs/dbraw/zinc/87/63/94/537876394.db2.gz PIDUWIQTIAGXFI-IONNQARKSA-N 0 0 185.223 1.054 10 0 ADAERN CC[C@H](C)n1cc([O-])c([C@@H](C)[NH3+])n1 685965518 537876408 /nfs/dbraw/zinc/87/64/08/537876408.db2.gz IABNSXZGIDEOSS-NKWVEPMBSA-N 0 0 183.255 1.579 10 0 ADAERN C[C@H]1C[C@@]2(CCNC(=O)O2)C[C@@H](C)O1 685965096 537876445 /nfs/dbraw/zinc/87/64/45/537876445.db2.gz OTYKJESIKDNZCL-DIYOJNKTSA-N 0 0 199.250 1.443 10 0 ADAERN C=C(OCC)c1ncccc1C=O 685965189 537876484 /nfs/dbraw/zinc/87/64/84/537876484.db2.gz SJVNCDPHVKZLDD-UHFFFAOYSA-N 0 0 177.203 1.901 10 0 ADAERN CCOCn1cc2ccc(N)cc2n1 685965383 537876543 /nfs/dbraw/zinc/87/65/43/537876543.db2.gz CBLYLOPSTHKVQO-UHFFFAOYSA-N 0 0 191.234 1.613 10 0 ADAERN CCCCCn1cc([O-])c([C@@H](C)[NH3+])n1 685965932 537876550 /nfs/dbraw/zinc/87/65/50/537876550.db2.gz ZHIQNMPCJAYZJG-MRVPVSSYSA-N 0 0 197.282 1.799 10 0 ADAERN CC[C@@H](C)n1cc([O-])c([C@H](C)[NH3+])n1 685965520 537876573 /nfs/dbraw/zinc/87/65/73/537876573.db2.gz IABNSXZGIDEOSS-RQJHMYQMSA-N 0 0 183.255 1.579 10 0 ADAERN C=C(OCC)c1ccc(N)nn1 685965324 537876584 /nfs/dbraw/zinc/87/65/84/537876584.db2.gz ZUWVTBZSDVCONS-UHFFFAOYSA-N 0 0 165.196 1.066 10 0 ADAERN C[C@H]1C[C@]2(CCNC(=O)O2)CCO1 685965114 537876592 /nfs/dbraw/zinc/87/65/92/537876592.db2.gz PIDUWIQTIAGXFI-CBAPKCEASA-N 0 0 185.223 1.054 10 0 ADAERN CCCOCn1cc(N)c(C)n1 709738329 537876660 /nfs/dbraw/zinc/87/66/60/537876660.db2.gz NSWOGAUQZFNMFK-UHFFFAOYSA-N 0 0 169.228 1.158 10 0 ADAERN C=C(OCC)c1cnn(C)c1C=O 685965274 537876723 /nfs/dbraw/zinc/87/67/23/537876723.db2.gz WYJMDXPNNCNZJO-UHFFFAOYSA-N 0 0 180.207 1.240 10 0 ADAERN C[C@@H]1C[C@]2(CCNC(=O)O2)CCO1 685965113 537876743 /nfs/dbraw/zinc/87/67/43/537876743.db2.gz PIDUWIQTIAGXFI-APPZFPTMSA-N 0 0 185.223 1.054 10 0 ADAERN CC(C)n1cc2c(n1)[C@@H](C)NC(=O)O2 685965561 537876783 /nfs/dbraw/zinc/87/67/83/537876783.db2.gz JTJOTRXXNWEDHC-ZCFIWIBFSA-N 0 0 195.222 1.627 10 0 ADAERN CCCOCn1ncc(N)c1C 709738418 537876792 /nfs/dbraw/zinc/87/67/92/537876792.db2.gz PJIGWELCHGJOCS-UHFFFAOYSA-N 0 0 169.228 1.158 10 0 ADAERN C=C(OCC)c1nccc(N)n1 685965331 537876833 /nfs/dbraw/zinc/87/68/33/537876833.db2.gz ZXVLBKNIBBZYNY-UHFFFAOYSA-N 0 0 165.196 1.066 10 0 ADAERN CCCCCn1cc([O-])c([C@H](C)[NH3+])n1 685965933 537876871 /nfs/dbraw/zinc/87/68/71/537876871.db2.gz ZHIQNMPCJAYZJG-QMMMGPOBSA-N 0 0 197.282 1.799 10 0 ADAERN CCCCCn1cc([O-])c(C(C)=O)n1 685965382 537876899 /nfs/dbraw/zinc/87/68/99/537876899.db2.gz BUXGKOCCNMSFEV-UHFFFAOYSA-N 0 0 196.250 1.982 10 0 ADAERN C=C(OCC)c1cnc(F)nc1 685965286 537876967 /nfs/dbraw/zinc/87/69/67/537876967.db2.gz YACQJILNELHMGO-UHFFFAOYSA-N 0 0 168.171 1.623 10 0 ADAERN CCCOCn1cc(N)c(C)cc1=O 709725408 537876981 /nfs/dbraw/zinc/87/69/81/537876981.db2.gz TVIQPXOITXYFPC-UHFFFAOYSA-N 0 0 196.250 1.123 10 0 ADAERN CCn1cc2c(n1)[C@@H](C)NC(=O)O2 685965782 537876999 /nfs/dbraw/zinc/87/69/99/537876999.db2.gz SVMJHZDAEMJWIO-RXMQYKEDSA-N 0 0 181.195 1.066 10 0 ADAERN CCCOCn1cc(C)c(N)n1 709720588 537877015 /nfs/dbraw/zinc/87/70/15/537877015.db2.gz RXTLWMDYMPFSRT-UHFFFAOYSA-N 0 0 169.228 1.158 10 0 ADAERN CCCOCn1cc(Cl)c(N)n1 709719482 537877072 /nfs/dbraw/zinc/87/70/72/537877072.db2.gz OFROYEYVBSRHMF-UHFFFAOYSA-N 0 0 189.646 1.503 10 0 ADAERN C[C@H]1C[C@]2(CCNC(=O)O2)C[C@@H](C)O1 685965097 537877088 /nfs/dbraw/zinc/87/70/88/537877088.db2.gz OTYKJESIKDNZCL-MBTKJCJQSA-N 0 0 199.250 1.443 10 0 ADAERN COC(CC(=O)[C@H]1CC1(C)C)OC 78701344 537877098 /nfs/dbraw/zinc/87/70/98/537877098.db2.gz SDYXUNFIWKEAGY-SSDOTTSWSA-N 0 0 186.251 1.611 10 0 ADAERN C[C@@H]([NH3+])c1nn(C(C)(C)C)cc1[O-] 685965606 537877128 /nfs/dbraw/zinc/87/71/28/537877128.db2.gz LBTAFOGFHYJPPA-ZCFIWIBFSA-N 0 0 183.255 1.363 10 0 ADAERN CC[C@H](C)n1cc([O-])c([C@H](C)[NH3+])n1 685965517 537877151 /nfs/dbraw/zinc/87/71/51/537877151.db2.gz IABNSXZGIDEOSS-BQBZGAKWSA-N 0 0 183.255 1.579 10 0 ADAERN C[C@H]([NH3+])c1nn(C(C)(C)C)cc1[O-] 685965605 537877196 /nfs/dbraw/zinc/87/71/96/537877196.db2.gz LBTAFOGFHYJPPA-LURJTMIESA-N 0 0 183.255 1.363 10 0 ADAERN C[C@@H]([NH3+])c1nn(CC(C)(C)C)cc1[O-] 685965433 537877241 /nfs/dbraw/zinc/87/72/41/537877241.db2.gz DIXMDCFWZVYVDH-SSDOTTSWSA-N 0 0 197.282 1.655 10 0 ADAERN CCn1cc2c(n1)[C@H](C)NC(=O)O2 685965783 537877262 /nfs/dbraw/zinc/87/72/62/537877262.db2.gz SVMJHZDAEMJWIO-YFKPBYRVSA-N 0 0 181.195 1.066 10 0 ADAERN C=C(OCC)c1ccc(N)c(C)n1 685965151 537877280 /nfs/dbraw/zinc/87/72/80/537877280.db2.gz QSMGWDMMIVEDOL-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN C=C(OCC)c1ncccc1C[NH2+]C 685965369 537877294 /nfs/dbraw/zinc/87/72/94/537877294.db2.gz BFDNLSNVTPPZJK-UHFFFAOYSA-N 0 0 192.262 1.808 10 0 ADAERN COC1(Cn2ccc(N)n2)CCCC1 709542869 537877308 /nfs/dbraw/zinc/87/73/08/537877308.db2.gz CVQBETHIRHCEAK-UHFFFAOYSA-N 0 0 195.266 1.425 10 0 ADAERN C[C@@H]([NH3+])c1nn(C2CCC2)cc1[O-] 685965855 537877339 /nfs/dbraw/zinc/87/73/39/537877339.db2.gz WMTWCZBOOQGYTM-ZCFIWIBFSA-N 0 0 181.239 1.333 10 0 ADAERN C=C(OCC)c1cnc(N)cc1C 685965242 537877345 /nfs/dbraw/zinc/87/73/45/537877345.db2.gz VQFGZBPMCLHLKW-UHFFFAOYSA-N 0 0 178.235 1.979 10 0 ADAERN C=C(OCC)c1cnc(C=O)s1 685965182 537877387 /nfs/dbraw/zinc/87/73/87/537877387.db2.gz SCMKMSMXKJQMEA-UHFFFAOYSA-N 0 0 183.232 1.963 10 0 ADAERN Nc1cnn(CC[C@H]2C[C@@H]2C2CC2)c1 714771939 537880690 /nfs/dbraw/zinc/88/06/90/537880690.db2.gz SDIJVICHLXDOQJ-GXSJLCMTSA-N 0 0 191.278 1.902 10 0 ADAERN CCCOCn1nc(N)cc1C 709718723 537877403 /nfs/dbraw/zinc/87/74/03/537877403.db2.gz LOLUXFGLPNHIPJ-UHFFFAOYSA-N 0 0 169.228 1.158 10 0 ADAERN CCCn1cc2c(n1)[C@H](C)NC(=O)O2 685965487 537877425 /nfs/dbraw/zinc/87/74/25/537877425.db2.gz GVRVPVJZEYYJBR-LURJTMIESA-N 0 0 195.222 1.456 10 0 ADAERN CONC[C@H]1OCCc2ccccc21 78881650 537877488 /nfs/dbraw/zinc/87/74/88/537877488.db2.gz SKWYNBJLPTUZIY-LLVKDONJSA-N 0 0 193.246 1.451 10 0 ADAERN C=C(OCC)c1cncc(N)c1 685965458 537877494 /nfs/dbraw/zinc/87/74/94/537877494.db2.gz FFUFZLPZYBIMCV-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN CC(C)n1cc2c(n1)[C@H](C)NC(=O)O2 685965560 537877517 /nfs/dbraw/zinc/87/75/17/537877517.db2.gz JTJOTRXXNWEDHC-LURJTMIESA-N 0 0 195.222 1.627 10 0 ADAERN Nc1ccc2cn(CCF)nc2c1 685965832 537877527 /nfs/dbraw/zinc/87/75/27/537877527.db2.gz VFZBTDKPFDVNBF-UHFFFAOYSA-N 0 0 179.198 1.588 10 0 ADAERN CCCCn1cc([O-])c([C@@H](C)[NH3+])n1 685965699 537877551 /nfs/dbraw/zinc/87/75/51/537877551.db2.gz PDEXDIMCZLLBHU-SSDOTTSWSA-N 0 0 183.255 1.409 10 0 ADAERN C=C(OCC)c1cc(C)nc(N)n1 685965129 537877570 /nfs/dbraw/zinc/87/75/70/537877570.db2.gz POINSILGLOKLKI-UHFFFAOYSA-N 0 0 179.223 1.374 10 0 ADAERN C=C(OCC)c1cncc(C=O)c1 685965089 537877609 /nfs/dbraw/zinc/87/76/09/537877609.db2.gz OODJNYOHMCCDFR-UHFFFAOYSA-N 0 0 177.203 1.901 10 0 ADAERN C[C@H]([NH3+])c1nn(C2CCCC2)cc1[O-] 685965713 537877615 /nfs/dbraw/zinc/87/76/15/537877615.db2.gz PTJJOSFIRSFDDH-ZETCQYMHSA-N 0 0 195.266 1.724 10 0 ADAERN CCCn1cc2c(n1)[C@@H](C)NC(=O)O2 685965488 537877687 /nfs/dbraw/zinc/87/76/87/537877687.db2.gz GVRVPVJZEYYJBR-ZCFIWIBFSA-N 0 0 195.222 1.456 10 0 ADAERN C[C@@H]1NC(=O)Oc2cn(C3CC3)nc21 685965877 537877722 /nfs/dbraw/zinc/87/77/22/537877722.db2.gz XNTMYRRTLDBIPA-YFKPBYRVSA-N 0 0 193.206 1.381 10 0 ADAERN C[C@H]([NH3+])c1nn(C2CCC2)cc1[O-] 685965854 537877739 /nfs/dbraw/zinc/87/77/39/537877739.db2.gz WMTWCZBOOQGYTM-LURJTMIESA-N 0 0 181.239 1.333 10 0 ADAERN BrC=Cc1cc[nH]n1 82032715 537877743 /nfs/dbraw/zinc/87/77/43/537877743.db2.gz MOSYJPWWGBGBKN-HNQUOIGGSA-N 0 0 173.013 1.775 10 0 ADAERN Cc1nc([C@H]2CCCCC[NH2+]2)n(C)n1 80989958 537877785 /nfs/dbraw/zinc/87/77/85/537877785.db2.gz XTFYEKDALCHVPN-SECBINFHSA-N 0 0 194.282 1.328 10 0 ADAERN C=C(OCC)c1c(C=O)cnn1C 685965223 537877822 /nfs/dbraw/zinc/87/78/22/537877822.db2.gz UODHQMNEJBXIFE-UHFFFAOYSA-N 0 0 180.207 1.240 10 0 ADAERN C[C@H]([NH3+])c1nn(C23CC(C2)C3)cc1[O-] 685965656 537877840 /nfs/dbraw/zinc/87/78/40/537877840.db2.gz NLMLLPIFLJCOGB-MLMMTNJESA-N 0 0 193.250 1.117 10 0 ADAERN CC(C)Cn1cc([O-])c([C@@H](C)[NH3+])n1 685965770 537877888 /nfs/dbraw/zinc/87/78/88/537877888.db2.gz SDVFQSQSBWOKLJ-SSDOTTSWSA-N 0 0 183.255 1.264 10 0 ADAERN Nc1ccc2cn(CCCF)nc2c1 685965539 537878052 /nfs/dbraw/zinc/87/80/52/537878052.db2.gz ITHWIYWKJMQCEQ-UHFFFAOYSA-N 0 0 193.225 1.978 10 0 ADAERN C[C@H]([NH3+])c1nn(CC2CC2)cc1[O-] 685965642 537878074 /nfs/dbraw/zinc/87/80/74/537878074.db2.gz MREKZDMGRYJZFA-LURJTMIESA-N 0 0 181.239 1.018 10 0 ADAERN C[C@H]1NC(=O)Oc2cn(C3CC3)nc21 685965876 537878096 /nfs/dbraw/zinc/87/80/96/537878096.db2.gz XNTMYRRTLDBIPA-RXMQYKEDSA-N 0 0 193.206 1.381 10 0 ADAERN C[C@@H]([NH3+])c1nn(C2CCCC2)cc1[O-] 685965712 537878104 /nfs/dbraw/zinc/87/81/04/537878104.db2.gz PTJJOSFIRSFDDH-SSDOTTSWSA-N 0 0 195.266 1.724 10 0 ADAERN CC(C)n1cc([O-])c([C@@H](C)[NH3+])n1 685965432 537878162 /nfs/dbraw/zinc/87/81/62/537878162.db2.gz DFDVJWAHKFBNAM-ZCFIWIBFSA-N 0 0 169.228 1.189 10 0 ADAERN CCc1c[nH]c2ncc(N)cc12 685965810 537878351 /nfs/dbraw/zinc/87/83/51/537878351.db2.gz UKFXWRCAABAZRM-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN C[C@@H]([NH3+])c1nn(C23CC(C2)C3)cc1[O-] 685965655 537878417 /nfs/dbraw/zinc/87/84/17/537878417.db2.gz NLMLLPIFLJCOGB-AFKSGGFBSA-N 0 0 193.250 1.117 10 0 ADAERN CC[C@@H](C)n1cc([O-])c([C@@H](C)[NH3+])n1 685965519 537878462 /nfs/dbraw/zinc/87/84/62/537878462.db2.gz IABNSXZGIDEOSS-RNFRBKRXSA-N 0 0 183.255 1.579 10 0 ADAERN CCCn1cc([O-])c([C@@H](C)[NH3+])n1 685965618 537878554 /nfs/dbraw/zinc/87/85/54/537878554.db2.gz LKVGJKRTLJTIAC-ZCFIWIBFSA-N 0 0 169.228 1.018 10 0 ADAERN C=C(OCC)c1ncnc(N)c1Cl 685965281 537878567 /nfs/dbraw/zinc/87/85/67/537878567.db2.gz XKBJFRXVOWKGGD-UHFFFAOYSA-N 0 0 199.641 1.719 10 0 ADAERN CC(C)[NH2+]Cc1ccn(C(C)C)n1 80094401 537878599 /nfs/dbraw/zinc/87/85/99/537878599.db2.gz ZHCKVARIXNBUDB-UHFFFAOYSA-N 0 0 181.283 1.962 10 0 ADAERN C=C(OCC)c1cnc(N)cn1 685965208 537878603 /nfs/dbraw/zinc/87/86/03/537878603.db2.gz TXUYGWSJXNFYTK-UHFFFAOYSA-N 0 0 165.196 1.066 10 0 ADAERN Cc1nc([C@@H]2CCCCC[NH2+]2)n(C)n1 80989957 537878747 /nfs/dbraw/zinc/87/87/47/537878747.db2.gz XTFYEKDALCHVPN-VIFPVBQESA-N 0 0 194.282 1.328 10 0 ADAERN CCCNC(=O)OC1CC1 80867149 537878796 /nfs/dbraw/zinc/87/87/96/537878796.db2.gz NIRJCPYLKGZVEL-UHFFFAOYSA-N 0 0 143.186 1.285 10 0 ADAERN Nc1ccn(CC[C@H]2C[C@H]2C2CC2)n1 714767898 537878960 /nfs/dbraw/zinc/87/89/60/537878960.db2.gz AQIHKZBWMIUISR-UWVGGRQHSA-N 0 0 191.278 1.902 10 0 ADAERN CONC[C@@H]1OCCc2ccccc21 78881655 537878987 /nfs/dbraw/zinc/87/89/87/537878987.db2.gz SKWYNBJLPTUZIY-NSHDSACASA-N 0 0 193.246 1.451 10 0 ADAERN COCC(C)(C)Cn1ncc(N)c1C 712657422 537878990 /nfs/dbraw/zinc/87/89/90/537878990.db2.gz UPDOLQUBYBCMPD-UHFFFAOYSA-N 0 0 197.282 1.446 10 0 ADAERN Nc1ccn(CC[C@@H]2C[C@@H]2C2CC2)n1 714767897 537879110 /nfs/dbraw/zinc/87/91/10/537879110.db2.gz AQIHKZBWMIUISR-NXEZZACHSA-N 0 0 191.278 1.902 10 0 ADAERN C=C/C=C/CCn1ccc(N)n1 713750980 537879155 /nfs/dbraw/zinc/87/91/55/537879155.db2.gz VJGBEFHTEPYXFK-ONEGZZNKSA-N 0 0 163.224 1.598 10 0 ADAERN COCC(C)(C)Cn1ccc(N)n1 712643753 537879221 /nfs/dbraw/zinc/87/92/21/537879221.db2.gz JLEUKCZKNAIASD-UHFFFAOYSA-N 0 0 183.255 1.138 10 0 ADAERN C=Cc1c[nH]nc1C 79205556 537879322 /nfs/dbraw/zinc/87/93/22/537879322.db2.gz QGEHGFGGUJGSJQ-UHFFFAOYSA-N 0 0 108.144 1.361 10 0 ADAERN CC(C)C(C)(C)Cn1cc(N)nn1 713125921 537879328 /nfs/dbraw/zinc/87/93/28/537879328.db2.gz PZNZRSUBXGNGCJ-UHFFFAOYSA-N 0 0 182.271 1.543 10 0 ADAERN COC(OC)[C@@H]1CC2(CCC1=O)CC2 710160204 537879346 /nfs/dbraw/zinc/87/93/46/537879346.db2.gz LVDWKSFRRQZOEJ-MRVPVSSYSA-N 0 0 198.262 1.755 10 0 ADAERN Nc1cn(CC[C@H]2C[C@H]2C2CC2)nn1 714774474 537879359 /nfs/dbraw/zinc/87/93/59/537879359.db2.gz BLLOXDPZGQYNNB-IUCAKERBSA-N 0 0 192.266 1.297 10 0 ADAERN CCC(C)(C)Cn1cc(N)cn1 713205367 537879417 /nfs/dbraw/zinc/87/94/17/537879417.db2.gz CHNOJUUZRSTNKU-UHFFFAOYSA-N 0 0 167.256 1.902 10 0 ADAERN C=C/C=C/CCn1cc(C)c(N)n1 713757536 537879426 /nfs/dbraw/zinc/87/94/26/537879426.db2.gz KEHKGTACUQMYQK-SNAWJCMRSA-N 0 0 177.251 1.906 10 0 ADAERN Nc1ncn(CC[C@@H]2C[C@H]2C2CC2)n1 712847527 537879475 /nfs/dbraw/zinc/87/94/75/537879475.db2.gz HCAGGZNCZHUTIG-BDAKNGLRSA-N 0 0 192.266 1.297 10 0 ADAERN C=C/C=C/CC[C@H](O)c1cn[nH]c1 713683230 537879548 /nfs/dbraw/zinc/87/95/48/537879548.db2.gz JTTSXLNLYTWSMH-FSIBCCDJSA-N 0 0 178.235 1.966 10 0 ADAERN CC(C)COCn1cccc(N)c1=O 714546188 537879610 /nfs/dbraw/zinc/87/96/10/537879610.db2.gz DTXUIUXOKGCBEW-UHFFFAOYSA-N 0 0 196.250 1.061 10 0 ADAERN CC(C)(C)Cn1cccc(N)c1=O 713199135 537879634 /nfs/dbraw/zinc/87/96/34/537879634.db2.gz APASJBTZEXXDFL-UHFFFAOYSA-N 0 0 180.251 1.477 10 0 ADAERN Nc1ccn(CC[C@H]2C[C@@H]2C2CC2)n1 714767900 537879702 /nfs/dbraw/zinc/87/97/02/537879702.db2.gz AQIHKZBWMIUISR-VHSXEESVSA-N 0 0 191.278 1.902 10 0 ADAERN C=C/C=C/CC[C@@H](O)c1cn[nH]c1 713683234 537879717 /nfs/dbraw/zinc/87/97/17/537879717.db2.gz JTTSXLNLYTWSMH-HMDXOVGESA-N 0 0 178.235 1.966 10 0 ADAERN COCC(C)(C)Cn1cc(C)c(N)n1 712641695 537879818 /nfs/dbraw/zinc/87/98/18/537879818.db2.gz BQJVPIBLEVPPDJ-UHFFFAOYSA-N 0 0 197.282 1.446 10 0 ADAERN Nc1cn(CC[C@H]2C[C@@H]2C2CC2)nn1 714774473 537879918 /nfs/dbraw/zinc/87/99/18/537879918.db2.gz BLLOXDPZGQYNNB-DTWKUNHWSA-N 0 0 192.266 1.297 10 0 ADAERN COC(=O)N1C=CCCCC1 713736436 537879926 /nfs/dbraw/zinc/87/99/26/537879926.db2.gz WHPSVTSVFKKIFQ-UHFFFAOYSA-N 0 0 155.197 1.752 10 0 ADAERN CCC(C)(C)Cn1cccc(N)c1=O 713205365 537880021 /nfs/dbraw/zinc/88/00/21/537880021.db2.gz CFFCPMVSYVPZBD-UHFFFAOYSA-N 0 0 194.278 1.867 10 0 ADAERN Cc1cc(=O)n(CC(C)(C)C)cc1N 713201624 537880079 /nfs/dbraw/zinc/88/00/79/537880079.db2.gz LVAOKWFRORQNGV-UHFFFAOYSA-N 0 0 194.278 1.785 10 0 ADAERN C=C/C=C/CCn1ccc(=O)c(N)c1 713756582 537880119 /nfs/dbraw/zinc/88/01/19/537880119.db2.gz BMSGOIIUSRJIDZ-ONEGZZNKSA-N 0 0 190.246 1.563 10 0 ADAERN Cc1c(N)ccc(=O)n1CC(C)(C)C 713203105 537880171 /nfs/dbraw/zinc/88/01/71/537880171.db2.gz YEMMBJOSVVEEIU-UHFFFAOYSA-N 0 0 194.278 1.785 10 0 ADAERN Cc1cn(COCC(C)C)nc1N 714547374 537880197 /nfs/dbraw/zinc/88/01/97/537880197.db2.gz PPJZSRQQILSTJM-UHFFFAOYSA-N 0 0 183.255 1.404 10 0 ADAERN C=C/C=C/CCn1ncc(N)c1C 713766462 537880216 /nfs/dbraw/zinc/88/02/16/537880216.db2.gz ZXKGYPKZCSRVQF-SNAWJCMRSA-N 0 0 177.251 1.906 10 0 ADAERN Cc1nn(COCC(C)C)cc1N 714548486 537880257 /nfs/dbraw/zinc/88/02/57/537880257.db2.gz MTDLJUYPOKNNTB-UHFFFAOYSA-N 0 0 183.255 1.404 10 0 ADAERN Cc1nn(CCOC2CC2)c(C)c1N 711670256 537880302 /nfs/dbraw/zinc/88/03/02/537880302.db2.gz KQVHDBCEPXKZJE-UHFFFAOYSA-N 0 0 195.266 1.261 10 0 ADAERN C=C/C=C/CCn1cc(N)cn1 713748988 537880381 /nfs/dbraw/zinc/88/03/81/537880381.db2.gz NKRUHNQWUZGNIT-ONEGZZNKSA-N 0 0 163.224 1.598 10 0 ADAERN Cc1cc(N)nn1COCC(C)C 714547985 537880439 /nfs/dbraw/zinc/88/04/39/537880439.db2.gz WUSAREUNAVZBSR-UHFFFAOYSA-N 0 0 183.255 1.404 10 0 ADAERN CC(C)COCn1cc(N)ccc1=O 714547234 537880476 /nfs/dbraw/zinc/88/04/76/537880476.db2.gz OXLFOHLLLVDVGB-UHFFFAOYSA-N 0 0 196.250 1.061 10 0 ADAERN CCC(C)(C)Cn1cc(N)ccc1=O 713210658 537880561 /nfs/dbraw/zinc/88/05/61/537880561.db2.gz ZLSZXTWFFXKCOZ-UHFFFAOYSA-N 0 0 194.278 1.867 10 0 ADAERN Cc1nn(COCC(C)C)c(C)c1N 714547947 537880573 /nfs/dbraw/zinc/88/05/73/537880573.db2.gz WGTVVKFUZIZELS-UHFFFAOYSA-N 0 0 197.282 1.712 10 0 ADAERN C=C/C=C/CCn1nc(N)cc1C 713757205 537880584 /nfs/dbraw/zinc/88/05/84/537880584.db2.gz HBOOMMPYNMZFJD-SNAWJCMRSA-N 0 0 177.251 1.906 10 0 ADAERN Nc1cn(CC[C@@H]2C[C@H]2C2CC2)nn1 714774469 537880619 /nfs/dbraw/zinc/88/06/19/537880619.db2.gz BLLOXDPZGQYNNB-BDAKNGLRSA-N 0 0 192.266 1.297 10 0 ADAERN CC(C)(C)C[C@H](O)c1cn[nH]c1 713242916 537880657 /nfs/dbraw/zinc/88/06/57/537880657.db2.gz PEUIFPJIESPARJ-QMMMGPOBSA-N 0 0 168.240 1.879 10 0 ADAERN COCC(C)(C)Cn1nc(N)cc1C 712645111 537880705 /nfs/dbraw/zinc/88/07/05/537880705.db2.gz QDKCXWHQQUTNBL-UHFFFAOYSA-N 0 0 197.282 1.446 10 0 ADAERN COCC(C)(C)Cn1cc(N)c(C)n1 712658312 537880748 /nfs/dbraw/zinc/88/07/48/537880748.db2.gz ZEJXXUPFUUHZAP-UHFFFAOYSA-N 0 0 197.282 1.446 10 0 ADAERN Cc1n[nH]cc1-c1ccc(C=O)o1 82398918 537880846 /nfs/dbraw/zinc/88/08/46/537880846.db2.gz HBANTMAVGGJSPP-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Nc1ncn(CC[C@H]2C[C@H]2C2CC2)n1 712847533 537880926 /nfs/dbraw/zinc/88/09/26/537880926.db2.gz HCAGGZNCZHUTIG-IUCAKERBSA-N 0 0 192.266 1.297 10 0 ADAERN CCC(C)(C)Cn1cc(N)nn1 713124742 537880949 /nfs/dbraw/zinc/88/09/49/537880949.db2.gz JXJIRHHGJBCTAR-UHFFFAOYSA-N 0 0 168.244 1.297 10 0 ADAERN C[C@H](Cn1cc(N)nn1)C(C)(C)C 711173480 537880990 /nfs/dbraw/zinc/88/09/90/537880990.db2.gz UWKSPCWUBGHMHV-SSDOTTSWSA-N 0 0 182.271 1.543 10 0 ADAERN CC(C)(C)C[C@@H](O)c1cn[nH]c1 713242912 537881003 /nfs/dbraw/zinc/88/10/03/537881003.db2.gz PEUIFPJIESPARJ-MRVPVSSYSA-N 0 0 168.240 1.879 10 0 ADAERN C=C/C=C/CCn1cc(N)c(C)n1 713765023 537881016 /nfs/dbraw/zinc/88/10/16/537881016.db2.gz UPROWWBBNMBTSB-SNAWJCMRSA-N 0 0 177.251 1.906 10 0 ADAERN Cc1nn(CC(C)(C)C)cc1N 713206355 537881178 /nfs/dbraw/zinc/88/11/78/537881178.db2.gz IBVLZSRZGSRHFT-UHFFFAOYSA-N 0 0 167.256 1.820 10 0 ADAERN CCC(C)(C)Cn1ccc(=O)c(N)c1 713205799 537881328 /nfs/dbraw/zinc/88/13/28/537881328.db2.gz DWIHDXBVKMXRMT-UHFFFAOYSA-N 0 0 194.278 1.867 10 0 ADAERN COCC(C)(C)C[C@@H](O)c1cn[nH]c1 712690709 537881441 /nfs/dbraw/zinc/88/14/41/537881441.db2.gz RWSLNGUJDKNAIF-SECBINFHSA-N 0 0 198.266 1.506 10 0 ADAERN COC(OC)[C@H]1CC2(CCC1=O)CC2 710160207 537881452 /nfs/dbraw/zinc/88/14/52/537881452.db2.gz LVDWKSFRRQZOEJ-QMMMGPOBSA-N 0 0 198.262 1.755 10 0 ADAERN Nc1cnn(CC[C@H]2C[C@H]2C2CC2)c1 714771946 537881486 /nfs/dbraw/zinc/88/14/86/537881486.db2.gz SDIJVICHLXDOQJ-ONGXEEELSA-N 0 0 191.278 1.902 10 0 ADAERN Nc1ncn(CC[C@@H]2C[C@@H]2C2CC2)n1 712847534 537881575 /nfs/dbraw/zinc/88/15/75/537881575.db2.gz HCAGGZNCZHUTIG-RKDXNWHRSA-N 0 0 192.266 1.297 10 0 ADAERN C=C/C=C/CCn1cc(N)ccc1=O 713757704 537881593 /nfs/dbraw/zinc/88/15/93/537881593.db2.gz LXHWXSAYSAJHEC-ONEGZZNKSA-N 0 0 190.246 1.563 10 0 ADAERN COCC(C)(C)C[C@H](O)c1cn[nH]c1 712690710 537881606 /nfs/dbraw/zinc/88/16/06/537881606.db2.gz RWSLNGUJDKNAIF-VIFPVBQESA-N 0 0 198.266 1.506 10 0 ADAERN c1cc2c(s1)C1(COC1)NCC2 712513136 537881613 /nfs/dbraw/zinc/88/16/13/537881613.db2.gz NGPUMFDYCYQVHJ-UHFFFAOYSA-N 0 0 181.260 1.119 10 0 ADAERN Nc1cnn(CC[C@@H]2C[C@@H]2C2CC2)c1 714771944 537881623 /nfs/dbraw/zinc/88/16/23/537881623.db2.gz SDIJVICHLXDOQJ-MWLCHTKSSA-N 0 0 191.278 1.902 10 0 ADAERN C=C/C=C/CCn1cccc(N)c1=O 713757830 537881644 /nfs/dbraw/zinc/88/16/44/537881644.db2.gz MLACUILPPZTYNH-ONEGZZNKSA-N 0 0 190.246 1.563 10 0 ADAERN Nc1ccn(CC[C@@H]2C[C@H]2C2CC2)n1 714767904 537881663 /nfs/dbraw/zinc/88/16/63/537881663.db2.gz AQIHKZBWMIUISR-ZJUUUORDSA-N 0 0 191.278 1.902 10 0 ADAERN Nc1cnn(CC[C@@H]2C[C@H]2C2CC2)c1 714771942 537881680 /nfs/dbraw/zinc/88/16/80/537881680.db2.gz SDIJVICHLXDOQJ-KOLCDFICSA-N 0 0 191.278 1.902 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H](NN)CCO1 721550012 537886274 /nfs/dbraw/zinc/88/62/74/537886274.db2.gz NELIOOVPVPDOFJ-JGVFFNPUSA-N 0 0 172.272 1.043 10 0 ADAERN CC(F)(F)CCCn1ccc(N)n1 718687735 537883741 /nfs/dbraw/zinc/88/37/41/537883741.db2.gz FRESIFRTNDWFPZ-UHFFFAOYSA-N 0 0 189.209 1.901 10 0 ADAERN Nc1ncn(CC[C@H]2C[C@@H]2C2CC2)n1 712847530 537881774 /nfs/dbraw/zinc/88/17/74/537881774.db2.gz HCAGGZNCZHUTIG-DTWKUNHWSA-N 0 0 192.266 1.297 10 0 ADAERN COCC(C)(C)Cn1cc(N)cn1 712646684 537881809 /nfs/dbraw/zinc/88/18/09/537881809.db2.gz ZRMHRHJXXKDQJF-UHFFFAOYSA-N 0 0 183.255 1.138 10 0 ADAERN CC(C)COCn1ccc(=O)c(N)c1 714546485 537881855 /nfs/dbraw/zinc/88/18/55/537881855.db2.gz GZAXMMKBOCRCAJ-UHFFFAOYSA-N 0 0 196.250 1.061 10 0 ADAERN CC(C)(C)Cn1ccc(=O)c(N)c1 713202701 537881903 /nfs/dbraw/zinc/88/19/03/537881903.db2.gz UKYZGKLQRGXEIQ-UHFFFAOYSA-N 0 0 180.251 1.477 10 0 ADAERN OCc1ccn(-c2cccc(F)c2)n1 82382672 537881936 /nfs/dbraw/zinc/88/19/36/537881936.db2.gz LAARDCYXCYFVLW-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN Cc1c(N)cnn1COCC(C)C 714548918 537881947 /nfs/dbraw/zinc/88/19/47/537881947.db2.gz WUWHZXJZNYDEEJ-UHFFFAOYSA-N 0 0 183.255 1.404 10 0 ADAERN C[C@@H](Cn1cc(N)nn1)C(C)(C)C 711173482 537881953 /nfs/dbraw/zinc/88/19/53/537881953.db2.gz UWKSPCWUBGHMHV-ZETCQYMHSA-N 0 0 182.271 1.543 10 0 ADAERN Cc1n[nH]cc1-c1cccc(N)c1 82399665 537881955 /nfs/dbraw/zinc/88/19/55/537881955.db2.gz DGFKXVQNLWEOAI-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CC(C)COCn1ccc(N)n1 714548108 537882004 /nfs/dbraw/zinc/88/20/04/537882004.db2.gz YULFECAGKFNZHW-UHFFFAOYSA-N 0 0 169.228 1.095 10 0 ADAERN CC(C)COCn1cc(N)cn1 714548024 537882287 /nfs/dbraw/zinc/88/22/87/537882287.db2.gz XGFHJAUIAXLWCO-UHFFFAOYSA-N 0 0 169.228 1.095 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1ccc(=O)c(N)c1 723052763 537889045 /nfs/dbraw/zinc/88/90/45/537889045.db2.gz SJYPXYGOMCVQQL-RKDXNWHRSA-N 0 0 192.262 1.477 10 0 ADAERN CC(C)(C)Cn1cc(N)ccc1=O 713200436 537882364 /nfs/dbraw/zinc/88/23/64/537882364.db2.gz ICOZNPLQPRKFDB-UHFFFAOYSA-N 0 0 180.251 1.477 10 0 ADAERN Nc1cn(CC[C@@H]2C[C@@H]2C2CC2)nn1 714774476 537882418 /nfs/dbraw/zinc/88/24/18/537882418.db2.gz BLLOXDPZGQYNNB-RKDXNWHRSA-N 0 0 192.266 1.297 10 0 ADAERN CCC(C)(C)Cn1ccc(N)n1 713206412 537882449 /nfs/dbraw/zinc/88/24/49/537882449.db2.gz ITPAEBIRNGQHPY-UHFFFAOYSA-N 0 0 167.256 1.902 10 0 ADAERN Cc1cn(CC(C)(C)C)nc1N 713199189 537882601 /nfs/dbraw/zinc/88/26/01/537882601.db2.gz BOYKZSSPCAOLSB-UHFFFAOYSA-N 0 0 167.256 1.820 10 0 ADAERN COC[C@H](Cn1ccc(N)n1)C(C)C 721739226 537883052 /nfs/dbraw/zinc/88/30/52/537883052.db2.gz KVXCDNCYADRYMW-VIFPVBQESA-N 0 0 197.282 1.384 10 0 ADAERN Cc1c(N)cnn1C[C@@H]1CCCS1 715887325 537883066 /nfs/dbraw/zinc/88/30/66/537883066.db2.gz UTAHSJXHEHPBGB-QMMMGPOBSA-N 0 0 197.307 1.669 10 0 ADAERN C[C@@H]1C[C@@H]1C[C@H](O)c1cn[nH]c1 722558850 537883097 /nfs/dbraw/zinc/88/30/97/537883097.db2.gz NTHXHWAEGMYEMA-BHNWBGBOSA-N 0 0 166.224 1.489 10 0 ADAERN Cc1nn(C[C@@H]2C[C@@H]2C)cc1N 716728310 537883164 /nfs/dbraw/zinc/88/31/64/537883164.db2.gz CTFNAMJGLLDPIQ-XPUUQOCRSA-N 0 0 165.240 1.430 10 0 ADAERN Cc1cc(=O)n(C[C@@H]2C[C@@H]2C)cc1N 722658443 537883225 /nfs/dbraw/zinc/88/32/25/537883225.db2.gz KKGZVXBZMLMUAT-CBAPKCEASA-N 0 0 192.262 1.395 10 0 ADAERN CC(F)(F)CCCn1cc(N)nn1 718610946 537883236 /nfs/dbraw/zinc/88/32/36/537883236.db2.gz JLMXHXAZWJWWJL-UHFFFAOYSA-N 0 0 190.197 1.296 10 0 ADAERN Cc1nn(C[C@H]2CC2(C)C)cc1N 716733351 537883264 /nfs/dbraw/zinc/88/32/64/537883264.db2.gz SFEHCPWVYMXPJV-MRVPVSSYSA-N 0 0 179.267 1.820 10 0 ADAERN COC[C@@H](Cn1ccc(N)n1)C(C)C 721739224 537883330 /nfs/dbraw/zinc/88/33/30/537883330.db2.gz KVXCDNCYADRYMW-SECBINFHSA-N 0 0 197.282 1.384 10 0 ADAERN CC(C)=C(C)CCn1cc(N)nn1 718612295 537883340 /nfs/dbraw/zinc/88/33/40/537883340.db2.gz DAXNFOCUCZGGOW-UHFFFAOYSA-N 0 0 180.255 1.607 10 0 ADAERN Cc1ncc(Cn2ccc(N)n2)s1 718908523 537883420 /nfs/dbraw/zinc/88/34/20/537883420.db2.gz XIDNUOLXVNWCOO-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Nc1ccn(C[C@H]2CCCS2)n1 715876860 537883512 /nfs/dbraw/zinc/88/35/12/537883512.db2.gz ATGFIUJUFANVLI-SSDOTTSWSA-N 0 0 183.280 1.361 10 0 ADAERN C[C@H]1C[C@H]1Cn1cccc(N)c1=O 722656488 537883518 /nfs/dbraw/zinc/88/35/18/537883518.db2.gz DPMOOOUWQZAMPX-YUMQZZPRSA-N 0 0 178.235 1.087 10 0 ADAERN CC(C)(C)[C@H]1C[C@H](NN)CCO1 721550008 537883573 /nfs/dbraw/zinc/88/35/73/537883573.db2.gz NELIOOVPVPDOFJ-HTQZYQBOSA-N 0 0 172.272 1.043 10 0 ADAERN COC[C@H](Cn1cc(N)cn1)C(C)C 721741137 537883484 /nfs/dbraw/zinc/88/34/84/537883484.db2.gz OLQJYELSMYVMNI-VIFPVBQESA-N 0 0 197.282 1.384 10 0 ADAERN Cc1nn(C[C@H]2C[C@H]2C)cc1N 716728305 537883491 /nfs/dbraw/zinc/88/34/91/537883491.db2.gz CTFNAMJGLLDPIQ-HTRCEHHLSA-N 0 0 165.240 1.430 10 0 ADAERN CO[C@H]1C[C@@H](C[C@@H](O)c2cn[nH]c2)C1 722004891 537883499 /nfs/dbraw/zinc/88/34/99/537883499.db2.gz UXSSLWLXBHHOFH-FKTZTGRPSA-N 0 0 196.250 1.258 10 0 ADAERN Cc1cn(C[C@H]2CCCS2)nc1N 715885557 537883628 /nfs/dbraw/zinc/88/36/28/537883628.db2.gz YLJKKNJFJNGTHD-MRVPVSSYSA-N 0 0 197.307 1.669 10 0 ADAERN C[C@H]1C[C@@H](C(F)F)n2nccc2N1 720940467 537883672 /nfs/dbraw/zinc/88/36/72/537883672.db2.gz KKJBMJDJOJZPER-WDSKDSINSA-N 0 0 187.193 1.893 10 0 ADAERN C[C@@H]1C[C@H]1Cn1ccc(=O)c(N)c1 722654973 537883689 /nfs/dbraw/zinc/88/36/89/537883689.db2.gz AQYBOIKJFFMBQC-SFYZADRCSA-N 0 0 178.235 1.087 10 0 ADAERN CC1(C)C[C@@H]1C[C@@H](O)c1cn[nH]c1 722592070 537883714 /nfs/dbraw/zinc/88/37/14/537883714.db2.gz YATPQCUVURFYLC-DTWKUNHWSA-N 0 0 180.251 1.879 10 0 ADAERN Nc1ccn(C[C@@H]2CCCS2)n1 715876866 537883753 /nfs/dbraw/zinc/88/37/53/537883753.db2.gz ATGFIUJUFANVLI-ZETCQYMHSA-N 0 0 183.280 1.361 10 0 ADAERN Nc1ccn(CCc2ccns2)n1 719830957 537883771 /nfs/dbraw/zinc/88/37/71/537883771.db2.gz MGMOIFOQPZAOFD-UHFFFAOYSA-N 0 0 194.263 1.165 10 0 ADAERN Cc1c(N)ccc(=O)n1C[C@H]1C[C@@H]1C 722658620 537883784 /nfs/dbraw/zinc/88/37/84/537883784.db2.gz LDDLRBVWEHYVCI-IONNQARKSA-N 0 0 192.262 1.395 10 0 ADAERN C[C@@H]1C[C@@H](C(F)F)n2nccc2N1 720940466 537883814 /nfs/dbraw/zinc/88/38/14/537883814.db2.gz KKJBMJDJOJZPER-RITPCOANSA-N 0 0 187.193 1.893 10 0 ADAERN Cc1cn(C[C@@H]2C[C@@H]2C)nc1N 722655493 537883826 /nfs/dbraw/zinc/88/38/26/537883826.db2.gz CAEIMVNSTQIRNQ-XPUUQOCRSA-N 0 0 165.240 1.430 10 0 ADAERN CC(C)=CCCn1cccc(N)c1=O 718542085 537883842 /nfs/dbraw/zinc/88/38/42/537883842.db2.gz XRTXWYDRRFXWLD-UHFFFAOYSA-N 0 0 192.262 1.787 10 0 ADAERN C[C@@H]1C[C@H](C(F)F)n2nccc2N1 720940465 537883887 /nfs/dbraw/zinc/88/38/87/537883887.db2.gz KKJBMJDJOJZPER-PHDIDXHHSA-N 0 0 187.193 1.893 10 0 ADAERN Cc1cn(C[C@H]2C[C@H]2C)nc1N 722655488 537883903 /nfs/dbraw/zinc/88/39/03/537883903.db2.gz CAEIMVNSTQIRNQ-HTRCEHHLSA-N 0 0 165.240 1.430 10 0 ADAERN CC(F)(F)CCCn1cc(N)cn1 718693619 537883911 /nfs/dbraw/zinc/88/39/11/537883911.db2.gz UZGZLYBGQQXIOF-UHFFFAOYSA-N 0 0 189.209 1.901 10 0 ADAERN Cc1c(N)ccc(=O)n1C[C@@H]1C[C@@H]1C 722658545 537883966 /nfs/dbraw/zinc/88/39/66/537883966.db2.gz LDDLRBVWEHYVCI-CBAPKCEASA-N 0 0 192.262 1.395 10 0 ADAERN CC(C)c1nc2c(c(=O)[nH]1)CCCN2 82664004 537884060 /nfs/dbraw/zinc/88/40/60/537884060.db2.gz GGOJRHKITQHHBP-UHFFFAOYSA-N 0 0 193.250 1.251 10 0 ADAERN Cc1ncccc1[C@H](O)c1cn[nH]c1 715225729 537884065 /nfs/dbraw/zinc/88/40/65/537884065.db2.gz IFUBPSZOWRJXTD-SNVBAGLBSA-N 0 0 189.218 1.195 10 0 ADAERN Cc1cn(C[C@H]2C[C@@H]2C)nc1N 722655490 537884099 /nfs/dbraw/zinc/88/40/99/537884099.db2.gz CAEIMVNSTQIRNQ-POYBYMJQSA-N 0 0 165.240 1.430 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1ccc(=O)c(N)c1 722654971 537884112 /nfs/dbraw/zinc/88/41/12/537884112.db2.gz AQYBOIKJFFMBQC-HTQZYQBOSA-N 0 0 178.235 1.087 10 0 ADAERN Cc1coc([C@@H](O)c2cn[nH]c2)c1 715761605 537884116 /nfs/dbraw/zinc/88/41/16/537884116.db2.gz HFWFVIYMKXPRBY-VIFPVBQESA-N 0 0 178.191 1.393 10 0 ADAERN CO[C@H]1C[C@@H](C[C@H](O)c2cn[nH]c2)C1 722004892 537884131 /nfs/dbraw/zinc/88/41/31/537884131.db2.gz UXSSLWLXBHHOFH-SFGNSQDASA-N 0 0 196.250 1.258 10 0 ADAERN C[C@@H]1C[C@H]1C[C@@H](O)c1cn[nH]c1 722558853 537884158 /nfs/dbraw/zinc/88/41/58/537884158.db2.gz NTHXHWAEGMYEMA-BKPPORCPSA-N 0 0 166.224 1.489 10 0 ADAERN Cc1c(N)cnn1C[C@H]1CCCS1 715887322 537884282 /nfs/dbraw/zinc/88/42/82/537884282.db2.gz UTAHSJXHEHPBGB-MRVPVSSYSA-N 0 0 197.307 1.669 10 0 ADAERN Cc1nn(Cc2cscn2)cc1N 716689992 537884295 /nfs/dbraw/zinc/88/42/95/537884295.db2.gz QHWIIEVIQDJXCV-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1c(N)ccc(=O)n1C[C@@H]1C[C@H]1C 722658543 537884307 /nfs/dbraw/zinc/88/43/07/537884307.db2.gz LDDLRBVWEHYVCI-APPZFPTMSA-N 0 0 192.262 1.395 10 0 ADAERN C[C@H]1C[C@@H]1Cn1cccc(N)c1=O 722656486 537884364 /nfs/dbraw/zinc/88/43/64/537884364.db2.gz DPMOOOUWQZAMPX-JGVFFNPUSA-N 0 0 178.235 1.087 10 0 ADAERN Cc1cc(=O)n(C[C@@H]2C[C@H]2C)cc1N 722658442 537884404 /nfs/dbraw/zinc/88/44/04/537884404.db2.gz KKGZVXBZMLMUAT-APPZFPTMSA-N 0 0 192.262 1.395 10 0 ADAERN CC(C)=CCCn1ccc(N)n1 718539039 537884413 /nfs/dbraw/zinc/88/44/13/537884413.db2.gz LLMQXSWIQDUNQV-UHFFFAOYSA-N 0 0 165.240 1.822 10 0 ADAERN CC(C)=C(C)CCS(N)(=O)=O 718666539 537884471 /nfs/dbraw/zinc/88/44/71/537884471.db2.gz GDXUGCSJZGJRGE-UHFFFAOYSA-N 0 0 177.269 1.021 10 0 ADAERN COC[C@@H](Cn1cc(N)cn1)C(C)C 721741135 537884533 /nfs/dbraw/zinc/88/45/33/537884533.db2.gz OLQJYELSMYVMNI-SECBINFHSA-N 0 0 197.282 1.384 10 0 ADAERN CO[C@H]1C[C@@H](Cn2cc(N)c(C)n2)C1 721937349 537884618 /nfs/dbraw/zinc/88/46/18/537884618.db2.gz YUOYFSCULHQYIB-DTORHVGOSA-N 0 0 195.266 1.199 10 0 ADAERN CC(C)=CCCn1cc(N)cn1 718541681 537884628 /nfs/dbraw/zinc/88/46/28/537884628.db2.gz UNQXUKNNXYSVMF-UHFFFAOYSA-N 0 0 165.240 1.822 10 0 ADAERN O[C@H](C[C@@H]1CC12CC2)c1cn[nH]c1 722601524 537884638 /nfs/dbraw/zinc/88/46/38/537884638.db2.gz YZFAYWUWTVCQKG-RKDXNWHRSA-N 0 0 178.235 1.633 10 0 ADAERN Nc1cnn(C[C@@H]2CCCS2)c1 715884934 537884699 /nfs/dbraw/zinc/88/46/99/537884699.db2.gz XBNCOCVSMGGEKI-QMMMGPOBSA-N 0 0 183.280 1.361 10 0 ADAERN Cc1coc([C@H](O)c2cn[nH]c2)c1 715761603 537884732 /nfs/dbraw/zinc/88/47/32/537884732.db2.gz HFWFVIYMKXPRBY-SECBINFHSA-N 0 0 178.191 1.393 10 0 ADAERN Cc1nn(C[C@H]2C[C@@H]2C)cc1N 716728307 537884797 /nfs/dbraw/zinc/88/47/97/537884797.db2.gz CTFNAMJGLLDPIQ-POYBYMJQSA-N 0 0 165.240 1.430 10 0 ADAERN Cc1ncc(Cn2cc(N)cn2)s1 718907116 537884894 /nfs/dbraw/zinc/88/48/94/537884894.db2.gz RDOJTBWUXDOOPI-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1nn(C[C@@H]2CC23CC3)cc1N 716732112 537884941 /nfs/dbraw/zinc/88/49/41/537884941.db2.gz NNNZXRMNXGOZGD-QMMMGPOBSA-N 0 0 177.251 1.574 10 0 ADAERN C[C@H]1C[C@H](C(F)F)n2nccc2N1 720940464 537885003 /nfs/dbraw/zinc/88/50/03/537885003.db2.gz KKJBMJDJOJZPER-NTSWFWBYSA-N 0 0 187.193 1.893 10 0 ADAERN Cc1cc(N)nn1C[C@H]1CCCS1 715883067 537885013 /nfs/dbraw/zinc/88/50/13/537885013.db2.gz QYCBBWVPNFMSRK-MRVPVSSYSA-N 0 0 197.307 1.669 10 0 ADAERN CC1(C)C[C@H]1C[C@H](O)c1cn[nH]c1 722592068 537885077 /nfs/dbraw/zinc/88/50/77/537885077.db2.gz YATPQCUVURFYLC-BDAKNGLRSA-N 0 0 180.251 1.879 10 0 ADAERN CC1(C)C[C@@H]1C[C@H](O)c1cn[nH]c1 722592073 537885114 /nfs/dbraw/zinc/88/51/14/537885114.db2.gz YATPQCUVURFYLC-IUCAKERBSA-N 0 0 180.251 1.879 10 0 ADAERN Cc1cc(=O)n(C[C@H]2C[C@H]2C)cc1N 722658445 537885149 /nfs/dbraw/zinc/88/51/49/537885149.db2.gz KKGZVXBZMLMUAT-VXNVDRBHSA-N 0 0 192.262 1.395 10 0 ADAERN CC(C)=CCCn1ccc(=O)c(N)c1 718539520 537885275 /nfs/dbraw/zinc/88/52/75/537885275.db2.gz MKSKSWTWKACZCG-UHFFFAOYSA-N 0 0 192.262 1.787 10 0 ADAERN Cc1nn(C[C@@H]2CCCS2)cc1N 715887001 537885363 /nfs/dbraw/zinc/88/53/63/537885363.db2.gz SWIGEYIYIFVLHW-QMMMGPOBSA-N 0 0 197.307 1.669 10 0 ADAERN Cc1nn(C[C@@H]2C[C@H]2C)cc1N 716728308 537885440 /nfs/dbraw/zinc/88/54/40/537885440.db2.gz CTFNAMJGLLDPIQ-SVRRBLITSA-N 0 0 165.240 1.430 10 0 ADAERN CO[C@H]1C[C@@H](Cn2nc(N)cc2C)C1 721917122 537885456 /nfs/dbraw/zinc/88/54/56/537885456.db2.gz UAWNXJBMOSOJSA-DTORHVGOSA-N 0 0 195.266 1.199 10 0 ADAERN Cc1cn(C[C@@H]2C[C@H]2C)nc1N 722655491 537885479 /nfs/dbraw/zinc/88/54/79/537885479.db2.gz CAEIMVNSTQIRNQ-SVRRBLITSA-N 0 0 165.240 1.430 10 0 ADAERN CC1(C)C[C@H]1C[C@@H](O)c1cn[nH]c1 722592076 537885486 /nfs/dbraw/zinc/88/54/86/537885486.db2.gz YATPQCUVURFYLC-RKDXNWHRSA-N 0 0 180.251 1.879 10 0 ADAERN Nc1cnn(CCc2ccns2)c1 719832422 537885488 /nfs/dbraw/zinc/88/54/88/537885488.db2.gz QCGREFFDSVTWFU-UHFFFAOYSA-N 0 0 194.263 1.165 10 0 ADAERN C[C@@H]1C[C@@H]1C[C@@H](O)c1cn[nH]c1 722558856 537885497 /nfs/dbraw/zinc/88/54/97/537885497.db2.gz NTHXHWAEGMYEMA-ZXFLCMHBSA-N 0 0 166.224 1.489 10 0 ADAERN C[C@@H]1C[C@H]1C[C@H](O)c1cn[nH]c1 722558855 537885511 /nfs/dbraw/zinc/88/55/11/537885511.db2.gz NTHXHWAEGMYEMA-FJXKBIBVSA-N 0 0 166.224 1.489 10 0 ADAERN Fc1nccc2c[nH]nc12 721425767 537885578 /nfs/dbraw/zinc/88/55/78/537885578.db2.gz YYRXDVKXJVMGSO-UHFFFAOYSA-N 0 0 137.117 1.097 10 0 ADAERN CO[C@H]1C[C@@H](Cn2ncc(N)c2C)C1 721931859 537885612 /nfs/dbraw/zinc/88/56/12/537885612.db2.gz FERCNNOJXZNHJV-DTORHVGOSA-N 0 0 195.266 1.199 10 0 ADAERN CO[C@H]1C[C@@H](Cn2cc(C)c(N)n2)C1 721914121 537885624 /nfs/dbraw/zinc/88/56/24/537885624.db2.gz ADKCYAMVGQLRNW-DTORHVGOSA-N 0 0 195.266 1.199 10 0 ADAERN O[C@@H](C[C@@H]1CC12CC2)c1cn[nH]c1 722601521 537885646 /nfs/dbraw/zinc/88/56/46/537885646.db2.gz YZFAYWUWTVCQKG-BDAKNGLRSA-N 0 0 178.235 1.633 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1cccc(N)c1=O 722656485 537885653 /nfs/dbraw/zinc/88/56/53/537885653.db2.gz DPMOOOUWQZAMPX-HTQZYQBOSA-N 0 0 178.235 1.087 10 0 ADAERN O[C@@H](C[C@H]1CC12CC2)c1cn[nH]c1 722601523 537885683 /nfs/dbraw/zinc/88/56/83/537885683.db2.gz YZFAYWUWTVCQKG-IUCAKERBSA-N 0 0 178.235 1.633 10 0 ADAERN Cc1cn(C[C@@H]2CCCS2)nc1N 715885562 537885700 /nfs/dbraw/zinc/88/57/00/537885700.db2.gz YLJKKNJFJNGTHD-QMMMGPOBSA-N 0 0 197.307 1.669 10 0 ADAERN Cc1cc(N)nn1C[C@@H]1CCCS1 715883071 537885808 /nfs/dbraw/zinc/88/58/08/537885808.db2.gz QYCBBWVPNFMSRK-QMMMGPOBSA-N 0 0 197.307 1.669 10 0 ADAERN C[C@H]1C[C@H]1Cn1ccc(=O)c(N)c1 722654974 537885849 /nfs/dbraw/zinc/88/58/49/537885849.db2.gz AQYBOIKJFFMBQC-YUMQZZPRSA-N 0 0 178.235 1.087 10 0 ADAERN C[C@H]1C[C@@H]1Cn1ccc(=O)c(N)c1 722654972 537885912 /nfs/dbraw/zinc/88/59/12/537885912.db2.gz AQYBOIKJFFMBQC-JGVFFNPUSA-N 0 0 178.235 1.087 10 0 ADAERN Cc1ncccc1[C@@H](O)c1cn[nH]c1 715225723 537885978 /nfs/dbraw/zinc/88/59/78/537885978.db2.gz IFUBPSZOWRJXTD-JTQLQIEISA-N 0 0 189.218 1.195 10 0 ADAERN CCN(CC)Cc1nc(C=O)cs1 82686706 537885986 /nfs/dbraw/zinc/88/59/86/537885986.db2.gz ILTISIRAUPFQIC-UHFFFAOYSA-N 0 0 198.291 1.797 10 0 ADAERN O[C@H](C[C@H]1CC12CC2)c1cn[nH]c1 722601522 537886010 /nfs/dbraw/zinc/88/60/10/537886010.db2.gz YZFAYWUWTVCQKG-DTWKUNHWSA-N 0 0 178.235 1.633 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H](NN)CCO1 721550022 537886018 /nfs/dbraw/zinc/88/60/18/537886018.db2.gz NELIOOVPVPDOFJ-YUMQZZPRSA-N 0 0 172.272 1.043 10 0 ADAERN Cc1nn(C[C@@H]2CC2(C)C)cc1N 716733354 537886162 /nfs/dbraw/zinc/88/61/62/537886162.db2.gz SFEHCPWVYMXPJV-QMMMGPOBSA-N 0 0 179.267 1.820 10 0 ADAERN CC(C)=CCCn1cc(N)ccc1=O 718541773 537886247 /nfs/dbraw/zinc/88/62/47/537886247.db2.gz VDQIRFLRTRDKDZ-UHFFFAOYSA-N 0 0 192.262 1.787 10 0 ADAERN Nc1cnn(C[C@H]2CCCS2)c1 715884932 537886256 /nfs/dbraw/zinc/88/62/56/537886256.db2.gz XBNCOCVSMGGEKI-MRVPVSSYSA-N 0 0 183.280 1.361 10 0 ADAERN C[C@@H]1C[C@H]1Cn1cccc(N)c1=O 722656487 537886333 /nfs/dbraw/zinc/88/63/33/537886333.db2.gz DPMOOOUWQZAMPX-SFYZADRCSA-N 0 0 178.235 1.087 10 0 ADAERN Cc1nn(C[C@H]2CC23CC3)cc1N 716732109 537886365 /nfs/dbraw/zinc/88/63/65/537886365.db2.gz NNNZXRMNXGOZGD-MRVPVSSYSA-N 0 0 177.251 1.574 10 0 ADAERN Cc1nn(C[C@H]2CCCS2)cc1N 715887000 537886405 /nfs/dbraw/zinc/88/64/05/537886405.db2.gz SWIGEYIYIFVLHW-MRVPVSSYSA-N 0 0 197.307 1.669 10 0 ADAERN Cc1cc(=O)n(C[C@H]2C[C@@H]2C)cc1N 722658444 537886420 /nfs/dbraw/zinc/88/64/20/537886420.db2.gz KKGZVXBZMLMUAT-IONNQARKSA-N 0 0 192.262 1.395 10 0 ADAERN CC(C)=C(C)CCn1cnc(N)n1 718524589 537886469 /nfs/dbraw/zinc/88/64/69/537886469.db2.gz GDFNFRLXXHFKMC-UHFFFAOYSA-N 0 0 180.255 1.607 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H](NN)CCO1 721550018 537886506 /nfs/dbraw/zinc/88/65/06/537886506.db2.gz NELIOOVPVPDOFJ-SFYZADRCSA-N 0 0 172.272 1.043 10 0 ADAERN Nc1ccc(=O)n(C[C@@H]2CC23CC3)c1 722681752 537886988 /nfs/dbraw/zinc/88/69/88/537886988.db2.gz XVRGGCQLSQTRHO-QMMMGPOBSA-N 0 0 190.246 1.231 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1cc(C)c(N)n1 723052733 537886998 /nfs/dbraw/zinc/88/69/98/537886998.db2.gz SFXRDXCADMZRTR-BDAKNGLRSA-N 0 0 179.267 1.820 10 0 ADAERN C[C@H]1C[C@@H]1Cn1cc(N)ccc1=O 722658723 537887009 /nfs/dbraw/zinc/88/70/09/537887009.db2.gz MEHXGNYQXISUQK-JGVFFNPUSA-N 0 0 178.235 1.087 10 0 ADAERN Nc1cnn(C[C@@H]2CC23CC3)c1 722677138 537887032 /nfs/dbraw/zinc/88/70/32/537887032.db2.gz CLJIMNLTDLGBCA-ZETCQYMHSA-N 0 0 163.224 1.265 10 0 ADAERN CC1(C)C[C@H]1Cn1cccc(N)c1=O 722672464 537887094 /nfs/dbraw/zinc/88/70/94/537887094.db2.gz LTINSQSDEFVHBK-QMMMGPOBSA-N 0 0 192.262 1.477 10 0 ADAERN CC[C@H]1C[C@H]1Cn1cc(N)cn1 723053054 537887108 /nfs/dbraw/zinc/88/71/08/537887108.db2.gz UTIZXWXTRKBFQC-YUMQZZPRSA-N 0 0 165.240 1.511 10 0 ADAERN CC1(C)C[C@H]1Cn1cc(N)cn1 722664604 537887116 /nfs/dbraw/zinc/88/71/16/537887116.db2.gz KKQWUJADMJZZSE-ZETCQYMHSA-N 0 0 165.240 1.511 10 0 ADAERN CC[C@H]1C[C@H]1Cn1ccc(N)n1 723051285 537887181 /nfs/dbraw/zinc/88/71/81/537887181.db2.gz HOLNOTZMRXNEKG-YUMQZZPRSA-N 0 0 165.240 1.511 10 0 ADAERN Cc1c(N)cnn1C[C@H]1C[C@@H]1C 722670843 537887191 /nfs/dbraw/zinc/88/71/91/537887191.db2.gz VXKWAEXTZSVIRZ-POYBYMJQSA-N 0 0 165.240 1.430 10 0 ADAERN Nc1nn(C[C@@H]2CC23CC3)cc1Cl 722679766 537887212 /nfs/dbraw/zinc/88/72/12/537887212.db2.gz OVWOORUXGAFVPB-LURJTMIESA-N 0 0 197.669 1.919 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1cc(N)c(C)n1 723064159 537887238 /nfs/dbraw/zinc/88/72/38/537887238.db2.gz YZWZKIZJVLORBH-RKDXNWHRSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1c(N)cnn1C[C@@H]1C[C@@H]1C 722670847 537887329 /nfs/dbraw/zinc/88/73/29/537887329.db2.gz VXKWAEXTZSVIRZ-XPUUQOCRSA-N 0 0 165.240 1.430 10 0 ADAERN C[C@@H]1C[C@H]1Cn1cc(Cl)c(N)n1 722662062 537887339 /nfs/dbraw/zinc/88/73/39/537887339.db2.gz ZLBAINAGVOERRI-RITPCOANSA-N 0 0 185.658 1.775 10 0 ADAERN Cc1nn(C[C@@H]2CC23CC3)c(C)c1N 722679507 537887471 /nfs/dbraw/zinc/88/74/71/537887471.db2.gz NHIPXAGIWNAECL-VIFPVBQESA-N 0 0 191.278 1.882 10 0 ADAERN CC(C)n1nc(N)cc1C(F)F 725241656 537887562 /nfs/dbraw/zinc/88/75/62/537887562.db2.gz LINDGMZPGGDIFD-UHFFFAOYSA-N 0 0 175.182 1.984 10 0 ADAERN Cc1cc(N)nn1C[C@@H]1CC12CC2 722680006 537887570 /nfs/dbraw/zinc/88/75/70/537887570.db2.gz QANAEYPXOOGHPT-QMMMGPOBSA-N 0 0 177.251 1.574 10 0 ADAERN CCn1nc(N)cc1C(F)F 725241188 537887621 /nfs/dbraw/zinc/88/76/21/537887621.db2.gz AZOVNKZGXHRJJG-UHFFFAOYSA-N 0 0 161.155 1.423 10 0 ADAERN CC[C@H]1C[C@H]1Cn1cccc(N)c1=O 723051616 537887699 /nfs/dbraw/zinc/88/76/99/537887699.db2.gz JRLJXLHUBFOPPQ-IUCAKERBSA-N 0 0 192.262 1.477 10 0 ADAERN Nc1cnn(C[C@H]2CC23CC3)c1 722677134 537887752 /nfs/dbraw/zinc/88/77/52/537887752.db2.gz CLJIMNLTDLGBCA-SSDOTTSWSA-N 0 0 163.224 1.265 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1cc(Cl)c(N)n1 722662060 537887769 /nfs/dbraw/zinc/88/77/69/537887769.db2.gz ZLBAINAGVOERRI-PHDIDXHHSA-N 0 0 185.658 1.775 10 0 ADAERN CC[C@@H](C)c1nocc1CO 725241190 537887776 /nfs/dbraw/zinc/88/77/76/537887776.db2.gz AZZRZZVKJPYJSD-ZCFIWIBFSA-N 0 0 155.197 1.680 10 0 ADAERN Nc1ccn(C[C@H]2CC23CC3)n1 722681371 537887783 /nfs/dbraw/zinc/88/77/83/537887783.db2.gz WTIMCSVUQFMFTN-SSDOTTSWSA-N 0 0 163.224 1.265 10 0 ADAERN Cc1cc([C@@H]2CCCC[NH2+]2)[nH]n1 82851684 537887785 /nfs/dbraw/zinc/88/77/85/537887785.db2.gz WUFGHXZSFKTJCL-QMMMGPOBSA-N 0 0 165.240 1.533 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1cc(N)cn1 723053047 537887793 /nfs/dbraw/zinc/88/77/93/537887793.db2.gz UTIZXWXTRKBFQC-HTQZYQBOSA-N 0 0 165.240 1.511 10 0 ADAERN CC1(C)C[C@H]1Cn1ccc(N)n1 722670118 537887847 /nfs/dbraw/zinc/88/78/47/537887847.db2.gz SRWVTEORWQESMG-ZETCQYMHSA-N 0 0 165.240 1.511 10 0 ADAERN Nc1ccc(=O)n(C[C@H]2CC23CC3)c1 722681751 537887871 /nfs/dbraw/zinc/88/78/71/537887871.db2.gz XVRGGCQLSQTRHO-MRVPVSSYSA-N 0 0 190.246 1.231 10 0 ADAERN C[C@H]1C[C@@H]1Cn1cc(Cl)c(N)n1 722662058 537887892 /nfs/dbraw/zinc/88/78/92/537887892.db2.gz ZLBAINAGVOERRI-NTSWFWBYSA-N 0 0 185.658 1.775 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1cc(N)ccc1=O 723052059 537887917 /nfs/dbraw/zinc/88/79/17/537887917.db2.gz MFXKLBVSCDXFLC-DTWKUNHWSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1nn(C[C@H]2CC23CC3)c(C)c1N 722679506 537887957 /nfs/dbraw/zinc/88/79/57/537887957.db2.gz NHIPXAGIWNAECL-SECBINFHSA-N 0 0 191.278 1.882 10 0 ADAERN Cc1c(N)cnn1C[C@H]1CC12CC2 722683773 537887965 /nfs/dbraw/zinc/88/79/65/537887965.db2.gz GXUIVESWDGONSG-MRVPVSSYSA-N 0 0 177.251 1.574 10 0 ADAERN c1nc([C@H]2NCCc3ccoc32)c[nH]1 724777008 537887981 /nfs/dbraw/zinc/88/79/81/537887981.db2.gz INBTUYVMDFAOTR-SECBINFHSA-N 0 0 189.218 1.238 10 0 ADAERN Cc1c(N)ccc(=O)n1C[C@H]1C[C@H]1C 722658621 537888004 /nfs/dbraw/zinc/88/80/04/537888004.db2.gz LDDLRBVWEHYVCI-VXNVDRBHSA-N 0 0 192.262 1.395 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1ncc(N)c1C 723062061 537888167 /nfs/dbraw/zinc/88/81/67/537888167.db2.gz ONVISAVYUCIGTB-DTWKUNHWSA-N 0 0 179.267 1.820 10 0 ADAERN C[C@@H]1CC(n2cnc(N)n2)C[C@@H](C)C1 82832710 537888021 /nfs/dbraw/zinc/88/80/21/537888021.db2.gz CMBMQWXPFNCEOY-YUMQZZPRSA-N 0 0 194.282 1.858 10 0 ADAERN Cc1cc(N)nn1C[C@@H]1C[C@H]1C 722658865 537888031 /nfs/dbraw/zinc/88/80/31/537888031.db2.gz LFWMJCMVOUHAMN-SVRRBLITSA-N 0 0 165.240 1.430 10 0 ADAERN c1nc([C@@H]2NCCc3occc32)c[nH]1 724777517 537888072 /nfs/dbraw/zinc/88/80/72/537888072.db2.gz PYIZYYRCAYQZTN-SNVBAGLBSA-N 0 0 189.218 1.238 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1nc(N)cc1C 723051123 537888105 /nfs/dbraw/zinc/88/81/05/537888105.db2.gz HFHDDQHPYQBIMT-DTWKUNHWSA-N 0 0 179.267 1.820 10 0 ADAERN Nc1cn(C[C@H]2CC23CC3)ccc1=O 722680064 537888120 /nfs/dbraw/zinc/88/81/20/537888120.db2.gz QUDULPPCMDMHKI-MRVPVSSYSA-N 0 0 190.246 1.231 10 0 ADAERN C[C@H]([NH3+])C(=O)c1ccsc1 82847930 537888186 /nfs/dbraw/zinc/88/81/86/537888186.db2.gz CTAFJQFLHFDIQN-YFKPBYRVSA-N 0 0 155.222 1.278 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1cc(N)ccc1=O 723052067 537888225 /nfs/dbraw/zinc/88/82/25/537888225.db2.gz MFXKLBVSCDXFLC-RKDXNWHRSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1cc(N)nn1C[C@H]1CC1(C)C 722671743 537888386 /nfs/dbraw/zinc/88/83/86/537888386.db2.gz XFAAFJYIODBZPS-MRVPVSSYSA-N 0 0 179.267 1.820 10 0 ADAERN Nc1ccn(C[C@@H]2CC23CC3)n1 722681372 537888408 /nfs/dbraw/zinc/88/84/08/537888408.db2.gz WTIMCSVUQFMFTN-ZETCQYMHSA-N 0 0 163.224 1.265 10 0 ADAERN CC1(C)C[C@@H]1Cn1cc(N)ccc1=O 722674419 537888469 /nfs/dbraw/zinc/88/84/69/537888469.db2.gz VVFJGJCTTKZEQN-MRVPVSSYSA-N 0 0 192.262 1.477 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1cc(N)cn1 723053051 537888484 /nfs/dbraw/zinc/88/84/84/537888484.db2.gz UTIZXWXTRKBFQC-SFYZADRCSA-N 0 0 165.240 1.511 10 0 ADAERN CC1(C)CC(Cn2cc(N)nn2)C1 723533833 537888528 /nfs/dbraw/zinc/88/85/28/537888528.db2.gz VTGPSGHRXUUVBB-UHFFFAOYSA-N 0 0 180.255 1.297 10 0 ADAERN CC[C@H]1C[C@H]1Cn1ccc(=O)c(N)c1 723052762 537888593 /nfs/dbraw/zinc/88/85/93/537888593.db2.gz SJYPXYGOMCVQQL-IUCAKERBSA-N 0 0 192.262 1.477 10 0 ADAERN C[NH+](C)CCC1(C(=O)[O-])CCC1 82855574 537888639 /nfs/dbraw/zinc/88/86/39/537888639.db2.gz BYEYKMJMELSUID-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1cc(C)c(N)n1 723052734 537888659 /nfs/dbraw/zinc/88/86/59/537888659.db2.gz SFXRDXCADMZRTR-DTWKUNHWSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1cc(N)c(C)n1 723064157 537888676 /nfs/dbraw/zinc/88/86/76/537888676.db2.gz YZWZKIZJVLORBH-DTWKUNHWSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1cc(N)nn1C[C@H]1CC12CC2 722680005 537888687 /nfs/dbraw/zinc/88/86/87/537888687.db2.gz QANAEYPXOOGHPT-MRVPVSSYSA-N 0 0 177.251 1.574 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1ncc(N)c1C 723062068 537888742 /nfs/dbraw/zinc/88/87/42/537888742.db2.gz ONVISAVYUCIGTB-RKDXNWHRSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1c(N)cnn1C[C@H]1CC1(C)C 722676973 537888790 /nfs/dbraw/zinc/88/87/90/537888790.db2.gz BXGLKROQZHHKKI-MRVPVSSYSA-N 0 0 179.267 1.820 10 0 ADAERN c1nc([C@H]2NCCc3occc32)c[nH]1 724777516 537888793 /nfs/dbraw/zinc/88/87/93/537888793.db2.gz PYIZYYRCAYQZTN-JTQLQIEISA-N 0 0 189.218 1.238 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1cc(N)c(C)n1 723064156 537888816 /nfs/dbraw/zinc/88/88/16/537888816.db2.gz YZWZKIZJVLORBH-BDAKNGLRSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1cccc(N)c1=O 723051617 537888839 /nfs/dbraw/zinc/88/88/39/537888839.db2.gz JRLJXLHUBFOPPQ-RKDXNWHRSA-N 0 0 192.262 1.477 10 0 ADAERN Nc1cccn(C[C@H]2CC23CC3)c1=O 722678963 537888844 /nfs/dbraw/zinc/88/88/44/537888844.db2.gz KLAQXJBXJBOFAB-MRVPVSSYSA-N 0 0 190.246 1.231 10 0 ADAERN Cc1ccsc1C(=O)[C@@H](C)[NH3+] 82854605 537888854 /nfs/dbraw/zinc/88/88/54/537888854.db2.gz SRAUIDHGWYHQDT-ZCFIWIBFSA-N 0 0 169.249 1.586 10 0 ADAERN C[C@H]1C[C@H]1Cn1cc(Cl)c(N)n1 722662064 537888890 /nfs/dbraw/zinc/88/88/90/537888890.db2.gz ZLBAINAGVOERRI-WDSKDSINSA-N 0 0 185.658 1.775 10 0 ADAERN Cc1coc(C(=O)[C@H](C)N)c1 82842072 537888892 /nfs/dbraw/zinc/88/88/92/537888892.db2.gz LBJDSWDIFBHOBM-LURJTMIESA-N 0 0 153.181 1.118 10 0 ADAERN CC1(C)C[C@@H]1Cn1cccc(N)c1=O 722672463 537888919 /nfs/dbraw/zinc/88/89/19/537888919.db2.gz LTINSQSDEFVHBK-MRVPVSSYSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1cn(C[C@@H]2CC2(C)C)nc1N 722673975 537889056 /nfs/dbraw/zinc/88/90/56/537889056.db2.gz SKDGTCAXLHRPTG-QMMMGPOBSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1ccc(N)n1 723051163 537889083 /nfs/dbraw/zinc/88/90/83/537889083.db2.gz HOLNOTZMRXNEKG-HTQZYQBOSA-N 0 0 165.240 1.511 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1nc(N)cc1C 723051125 537889104 /nfs/dbraw/zinc/88/91/04/537889104.db2.gz HFHDDQHPYQBIMT-RKDXNWHRSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@@H]1C[C@H]1C[C@@H](O)c1cn[nH]c1 723091866 537889116 /nfs/dbraw/zinc/88/91/16/537889116.db2.gz OCHJYKWGKRSYMU-KHQFGBGNSA-N 0 0 180.251 1.879 10 0 ADAERN Cc1c(N)cnn1C[C@@H]1CC1(C)C 722676976 537889141 /nfs/dbraw/zinc/88/91/41/537889141.db2.gz BXGLKROQZHHKKI-QMMMGPOBSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1ccc(N)n1 723051284 537889218 /nfs/dbraw/zinc/88/92/18/537889218.db2.gz HOLNOTZMRXNEKG-SFYZADRCSA-N 0 0 165.240 1.511 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1cc(N)cn1 723053049 537889251 /nfs/dbraw/zinc/88/92/51/537889251.db2.gz UTIZXWXTRKBFQC-JGVFFNPUSA-N 0 0 165.240 1.511 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1ccc(=O)c(N)c1 723052760 537889317 /nfs/dbraw/zinc/88/93/17/537889317.db2.gz SJYPXYGOMCVQQL-BDAKNGLRSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1c(N)cnn1C[C@@H]1C[C@H]1C 722670845 537889346 /nfs/dbraw/zinc/88/93/46/537889346.db2.gz VXKWAEXTZSVIRZ-SVRRBLITSA-N 0 0 165.240 1.430 10 0 ADAERN Cc1cc(N)nn1C[C@@H]1CC1(C)C 722671746 537889362 /nfs/dbraw/zinc/88/93/62/537889362.db2.gz XFAAFJYIODBZPS-QMMMGPOBSA-N 0 0 179.267 1.820 10 0 ADAERN CC1(C)C[C@@H]1Cn1cc(N)cn1 722664603 537889397 /nfs/dbraw/zinc/88/93/97/537889397.db2.gz KKQWUJADMJZZSE-SSDOTTSWSA-N 0 0 165.240 1.511 10 0 ADAERN Cc1cn(C[C@H]2CC23CC3)nc1N 722681409 537889405 /nfs/dbraw/zinc/88/94/05/537889405.db2.gz XFYBGJWNAFUKBG-MRVPVSSYSA-N 0 0 177.251 1.574 10 0 ADAERN Nc1nn(C[C@H]2CC23CC3)cc1Cl 722679768 537889412 /nfs/dbraw/zinc/88/94/12/537889412.db2.gz OVWOORUXGAFVPB-ZCFIWIBFSA-N 0 0 197.669 1.919 10 0 ADAERN CC[C@H]1C[C@H]1Cn1cc(N)c(C)n1 723064158 537889450 /nfs/dbraw/zinc/88/94/50/537889450.db2.gz YZWZKIZJVLORBH-IUCAKERBSA-N 0 0 179.267 1.820 10 0 ADAERN CC1(C)C[C@H]1Cn1cc(N)ccc1=O 722674422 537889462 /nfs/dbraw/zinc/88/94/62/537889462.db2.gz VVFJGJCTTKZEQN-QMMMGPOBSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1cc(N)nn1C[C@H]1C[C@@H]1C 722658864 537889505 /nfs/dbraw/zinc/88/95/05/537889505.db2.gz LFWMJCMVOUHAMN-POYBYMJQSA-N 0 0 165.240 1.430 10 0 ADAERN CC1(C)C[C@H]1Cn1ccc(=O)c(N)c1 722669552 537889515 /nfs/dbraw/zinc/88/95/15/537889515.db2.gz DAZAVOJJYUIOKQ-QMMMGPOBSA-N 0 0 192.262 1.477 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1ccc(=O)c(N)c1 723052761 537889542 /nfs/dbraw/zinc/88/95/42/537889542.db2.gz SJYPXYGOMCVQQL-DTWKUNHWSA-N 0 0 192.262 1.477 10 0 ADAERN Nc1cccn(C[C@@H]2CC23CC3)c1=O 722678966 537889571 /nfs/dbraw/zinc/88/95/71/537889571.db2.gz KLAQXJBXJBOFAB-QMMMGPOBSA-N 0 0 190.246 1.231 10 0 ADAERN C[C@@H]1C[C@H]1Cn1cc(N)ccc1=O 722658725 537889525 /nfs/dbraw/zinc/88/95/25/537889525.db2.gz MEHXGNYQXISUQK-SFYZADRCSA-N 0 0 178.235 1.087 10 0 ADAERN CC1(C)C[C@@H]1Cn1ccc(=O)c(N)c1 722669549 537889533 /nfs/dbraw/zinc/88/95/33/537889533.db2.gz DAZAVOJJYUIOKQ-MRVPVSSYSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1cn(C[C@H]2CC2(C)C)nc1N 722673971 537889631 /nfs/dbraw/zinc/88/96/31/537889631.db2.gz SKDGTCAXLHRPTG-MRVPVSSYSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1cc(N)nn1C[C@H]1C[C@H]1C 722658862 537889665 /nfs/dbraw/zinc/88/96/65/537889665.db2.gz LFWMJCMVOUHAMN-HTRCEHHLSA-N 0 0 165.240 1.430 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1cccc(N)c1=O 723051614 537889681 /nfs/dbraw/zinc/88/96/81/537889681.db2.gz JRLJXLHUBFOPPQ-BDAKNGLRSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1cc([C@H]2CCCC[NH2+]2)[nH]n1 82851685 537889707 /nfs/dbraw/zinc/88/97/07/537889707.db2.gz WUFGHXZSFKTJCL-MRVPVSSYSA-N 0 0 165.240 1.533 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1cc(N)ccc1=O 723052056 537889726 /nfs/dbraw/zinc/88/97/26/537889726.db2.gz MFXKLBVSCDXFLC-BDAKNGLRSA-N 0 0 192.262 1.477 10 0 ADAERN CC1(C)CC(Cn2ccc(N)n2)C1 723549984 537889754 /nfs/dbraw/zinc/88/97/54/537889754.db2.gz MVSGWYUMYBGZRX-UHFFFAOYSA-N 0 0 179.267 1.902 10 0 ADAERN Cc1c(N)cnn1C[C@@H]1CC12CC2 722683775 537889782 /nfs/dbraw/zinc/88/97/82/537889782.db2.gz GXUIVESWDGONSG-QMMMGPOBSA-N 0 0 177.251 1.574 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1cc(N)ccc1=O 722658721 537889791 /nfs/dbraw/zinc/88/97/91/537889791.db2.gz MEHXGNYQXISUQK-HTQZYQBOSA-N 0 0 178.235 1.087 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1ccc(N)n1 723051164 537889798 /nfs/dbraw/zinc/88/97/98/537889798.db2.gz HOLNOTZMRXNEKG-JGVFFNPUSA-N 0 0 165.240 1.511 10 0 ADAERN CC[C@H]1C[C@H]1Cn1cc(N)ccc1=O 723052064 537889805 /nfs/dbraw/zinc/88/98/05/537889805.db2.gz MFXKLBVSCDXFLC-IUCAKERBSA-N 0 0 192.262 1.477 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1nc(N)cc1C 723051121 537889829 /nfs/dbraw/zinc/88/98/29/537889829.db2.gz HFHDDQHPYQBIMT-BDAKNGLRSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1cc(N)nn1C[C@@H]1C[C@@H]1C 722658867 537889851 /nfs/dbraw/zinc/88/98/51/537889851.db2.gz LFWMJCMVOUHAMN-XPUUQOCRSA-N 0 0 165.240 1.430 10 0 ADAERN CC[C@@H]1C[C@@H]1C[C@@H](O)c1cn[nH]c1 723091869 537889857 /nfs/dbraw/zinc/88/98/57/537889857.db2.gz OCHJYKWGKRSYMU-NQMVMOMDSA-N 0 0 180.251 1.879 10 0 ADAERN CC1(C)C[C@@H]1Cn1ccc(N)n1 722670117 537889866 /nfs/dbraw/zinc/88/98/66/537889866.db2.gz SRWVTEORWQESMG-SSDOTTSWSA-N 0 0 165.240 1.511 10 0 ADAERN C[C@H]1C[C@H]1Cn1cc(N)ccc1=O 722658728 537889877 /nfs/dbraw/zinc/88/98/77/537889877.db2.gz MEHXGNYQXISUQK-YUMQZZPRSA-N 0 0 178.235 1.087 10 0 ADAERN Nc1cn(C[C@@H]2CC23CC3)ccc1=O 722680067 537889883 /nfs/dbraw/zinc/88/98/83/537889883.db2.gz QUDULPPCMDMHKI-QMMMGPOBSA-N 0 0 190.246 1.231 10 0 ADAERN CC[C@@H]1C[C@@H]1C[C@H](O)c1cn[nH]c1 723091868 537889909 /nfs/dbraw/zinc/88/99/09/537889909.db2.gz OCHJYKWGKRSYMU-MRTMQBJTSA-N 0 0 180.251 1.879 10 0 ADAERN CC[C@H]1C[C@@H]1Cn1cccc(N)c1=O 723051615 537889927 /nfs/dbraw/zinc/88/99/27/537889927.db2.gz JRLJXLHUBFOPPQ-DTWKUNHWSA-N 0 0 192.262 1.477 10 0 ADAERN c1nc([C@@H]2NCCc3ccoc32)c[nH]1 724777009 537890033 /nfs/dbraw/zinc/89/00/33/537890033.db2.gz INBTUYVMDFAOTR-VIFPVBQESA-N 0 0 189.218 1.238 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1ncc(N)c1C 723061881 537890104 /nfs/dbraw/zinc/89/01/04/537890104.db2.gz ONVISAVYUCIGTB-BDAKNGLRSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@H]1C[C@H]1Cn1ncc(N)c1C 723062065 537890116 /nfs/dbraw/zinc/89/01/16/537890116.db2.gz ONVISAVYUCIGTB-IUCAKERBSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@H]1C[C@H]1Cn1nc(N)cc1C 723051124 537890126 /nfs/dbraw/zinc/89/01/26/537890126.db2.gz HFHDDQHPYQBIMT-IUCAKERBSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1c(N)cnn1C[C@H]1C[C@H]1C 722670840 537890134 /nfs/dbraw/zinc/89/01/34/537890134.db2.gz VXKWAEXTZSVIRZ-HTRCEHHLSA-N 0 0 165.240 1.430 10 0 ADAERN CC[C@@H]1C[C@@H]1Cn1cc(C)c(N)n1 723052737 537890149 /nfs/dbraw/zinc/89/01/49/537890149.db2.gz SFXRDXCADMZRTR-RKDXNWHRSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@H]1C[C@H]1Cn1cc(C)c(N)n1 723052736 537890162 /nfs/dbraw/zinc/89/01/62/537890162.db2.gz SFXRDXCADMZRTR-IUCAKERBSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1cn(C[C@@H]2CC23CC3)nc1N 722681410 537890180 /nfs/dbraw/zinc/89/01/80/537890180.db2.gz XFYBGJWNAFUKBG-QMMMGPOBSA-N 0 0 177.251 1.574 10 0 ADAERN CC[C@H](C)c1nocc1CO 725241189 537890214 /nfs/dbraw/zinc/89/02/14/537890214.db2.gz AZZRZZVKJPYJSD-LURJTMIESA-N 0 0 155.197 1.680 10 0 ADAERN CC[C@@H]1C[C@H]1C[C@H](O)c1cn[nH]c1 723091870 537890225 /nfs/dbraw/zinc/89/02/25/537890225.db2.gz OCHJYKWGKRSYMU-WEDXCCLWSA-N 0 0 180.251 1.879 10 0 ADAERN C[C@H]1CC(n2cnc(N)n2)C[C@H](C)C1 82832711 537890588 /nfs/dbraw/zinc/89/05/88/537890588.db2.gz CMBMQWXPFNCEOY-HTQZYQBOSA-N 0 0 194.282 1.858 10 0 ADAERN Cc1ccsc1C(=O)[C@H](C)[NH3+] 82854606 537890802 /nfs/dbraw/zinc/89/08/02/537890802.db2.gz SRAUIDHGWYHQDT-LURJTMIESA-N 0 0 169.249 1.586 10 0 ADAERN CCc1nc2cc(C)cc(O)n2n1 725243360 537890881 /nfs/dbraw/zinc/89/08/81/537890881.db2.gz ZANDGTAATMEVIF-UHFFFAOYSA-N 0 0 177.207 1.306 10 0 ADAERN NC(=O)Cc1ccc(C(F)F)cn1 725244108 537891006 /nfs/dbraw/zinc/89/10/06/537891006.db2.gz NYDQQFJZTKLIOM-UHFFFAOYSA-N 0 0 186.161 1.047 10 0 ADAERN Cc1cc(O)n2nc(C3CC3)nc2c1 725242955 537891015 /nfs/dbraw/zinc/89/10/15/537891015.db2.gz CIFVMGTWRUCUPN-UHFFFAOYSA-N 0 0 189.218 1.621 10 0 ADAERN Cc1cc2ncnn2c(O)c1C 725243017 537891135 /nfs/dbraw/zinc/89/11/35/537891135.db2.gz FXCOOCYNOOPRPI-UHFFFAOYSA-N 0 0 163.180 1.052 10 0 ADAERN O=C([O-])C[C@H]1[NH2+]CC[C@H]1C(F)(F)F 82909813 537896668 /nfs/dbraw/zinc/89/66/68/537896668.db2.gz HAISXYHPTZYEBO-RFZPGFLSSA-N 0 0 197.156 1.002 10 0 ADAERN Cc1coc(C(=O)[C@@H](C)N)c1 82842071 537891278 /nfs/dbraw/zinc/89/12/78/537891278.db2.gz LBJDSWDIFBHOBM-ZCFIWIBFSA-N 0 0 153.181 1.118 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@H]2CCC[C@@H]21 725244185 537891322 /nfs/dbraw/zinc/89/13/22/537891322.db2.gz PJGSBGUGPHLPRT-HRDYMLBCSA-N 0 0 183.251 1.442 10 0 ADAERN Cc1nc2cc(C3CC3)cc(O)n2n1 725243271 537891402 /nfs/dbraw/zinc/89/14/02/537891402.db2.gz UECCRMMLULDYDN-UHFFFAOYSA-N 0 0 189.218 1.621 10 0 ADAERN Clc1nncc2c1ncn2C1CC1 725242062 537891455 /nfs/dbraw/zinc/89/14/55/537891455.db2.gz CQRSLMYKMSEJSF-UHFFFAOYSA-N 0 0 194.625 1.815 10 0 ADAERN CCc1cc(O)n2nc(CC)nc2c1 725243047 537891480 /nfs/dbraw/zinc/89/14/80/537891480.db2.gz HKPAWDOIYUIMIC-UHFFFAOYSA-N 0 0 191.234 1.560 10 0 ADAERN C[C@]1(CC(N)=S)CCCCO1 725244372 537891547 /nfs/dbraw/zinc/89/15/47/537891547.db2.gz SWXBPXSKRLNLII-MRVPVSSYSA-N 0 0 173.281 1.622 10 0 ADAERN CCc1c(C)cc2nc(C)nn2c1O 725243067 537891598 /nfs/dbraw/zinc/89/15/98/537891598.db2.gz IKUAPOVCTZRZSL-UHFFFAOYSA-N 0 0 191.234 1.614 10 0 ADAERN Cc1nc2cc(C)c(C)c(O)n2n1 725242927 537891816 /nfs/dbraw/zinc/89/18/16/537891816.db2.gz AOTQYHMRXGXLBM-UHFFFAOYSA-N 0 0 177.207 1.360 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@H]2CCC[C@H]21 725244186 537891854 /nfs/dbraw/zinc/89/18/54/537891854.db2.gz PJGSBGUGPHLPRT-IWSPIJDZSA-N 0 0 183.251 1.442 10 0 ADAERN CCC(CC)n1ncc(C=O)c1N 725242114 537891895 /nfs/dbraw/zinc/89/18/95/537891895.db2.gz GLCKJGHNQLHBNP-UHFFFAOYSA-N 0 0 181.239 1.639 10 0 ADAERN CCc1c(C)cc2ncnn2c1O 725243292 537891911 /nfs/dbraw/zinc/89/19/11/537891911.db2.gz VMZTZVIINPSYKM-UHFFFAOYSA-N 0 0 177.207 1.306 10 0 ADAERN Cc1nc2cc(C(C)C)cc(O)n2n1 725243261 537892053 /nfs/dbraw/zinc/89/20/53/537892053.db2.gz SZDJXZGGJRYPHC-UHFFFAOYSA-N 0 0 191.234 1.867 10 0 ADAERN CC[C@]1(CC(N)=O)CCCCO1 725244535 537892264 /nfs/dbraw/zinc/89/22/64/537892264.db2.gz YHJQHZPWMGVZKV-SECBINFHSA-N 0 0 171.240 1.211 10 0 ADAERN CC(C(=O)C1CC1)=C(O)C1CC1 83053919 537892406 /nfs/dbraw/zinc/89/24/06/537892406.db2.gz SSKARGFBZPWXGZ-UHFFFAOYSA-N 0 0 166.220 1.581 10 0 ADAERN CC[C@H](C)n1ncc(C=O)c1N 725242209 537892410 /nfs/dbraw/zinc/89/24/10/537892410.db2.gz MWFVDLGBVZBQHS-LURJTMIESA-N 0 0 167.212 1.249 10 0 ADAERN CCc1nc2cc(C)c(C)c(O)n2n1 725243115 537892592 /nfs/dbraw/zinc/89/25/92/537892592.db2.gz LIPCRLNAMSHKTM-UHFFFAOYSA-N 0 0 191.234 1.614 10 0 ADAERN CCCc1nc2cc(C)cc(O)n2n1 725243324 537892910 /nfs/dbraw/zinc/89/29/10/537892910.db2.gz XFMRLVWDPLMGRJ-UHFFFAOYSA-N 0 0 191.234 1.696 10 0 ADAERN NC(=O)Cc1cccc(C(F)F)n1 725244095 537893021 /nfs/dbraw/zinc/89/30/21/537893021.db2.gz NORCJLGSSCVFSV-UHFFFAOYSA-N 0 0 186.161 1.047 10 0 ADAERN Cc1cc(O)n2nc(C(C)C)nc2c1 725243232 537893028 /nfs/dbraw/zinc/89/30/28/537893028.db2.gz RALDZXSGZZXUJS-UHFFFAOYSA-N 0 0 191.234 1.867 10 0 ADAERN CCc1cc(O)n2nc(C)nc2c1 725243005 537893093 /nfs/dbraw/zinc/89/30/93/537893093.db2.gz FLSHABSNZLZROY-UHFFFAOYSA-N 0 0 177.207 1.306 10 0 ADAERN Cc1csc(C)c1C(=O)CN 83271226 537893358 /nfs/dbraw/zinc/89/33/58/537893358.db2.gz BIJQAJVZSZXTCP-UHFFFAOYSA-N 0 0 169.249 1.506 10 0 ADAERN CC[C@@H](C)n1ncc(C=O)c1N 725242210 537893455 /nfs/dbraw/zinc/89/34/55/537893455.db2.gz MWFVDLGBVZBQHS-ZCFIWIBFSA-N 0 0 167.212 1.249 10 0 ADAERN Cc1cc2ncnn2c(O)c1C(C)C 725243256 537893504 /nfs/dbraw/zinc/89/35/04/537893504.db2.gz SQWAKHODBACBID-UHFFFAOYSA-N 0 0 191.234 1.867 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@@H]2CCC[C@H]21 725244180 537893517 /nfs/dbraw/zinc/89/35/17/537893517.db2.gz PJGSBGUGPHLPRT-DJLDLDEBSA-N 0 0 183.251 1.442 10 0 ADAERN Nc1c(C=O)cnn1C1CCC1 725242270 537893538 /nfs/dbraw/zinc/89/35/38/537893538.db2.gz QVCQVOKTEXJEMB-UHFFFAOYSA-N 0 0 165.196 1.003 10 0 ADAERN CCCC1CC(C[NH3+])(C(=O)[O-])C1 83175885 537893745 /nfs/dbraw/zinc/89/37/45/537893745.db2.gz JHWFJTLHIFALPN-UHFFFAOYSA-N 0 0 171.240 1.226 10 0 ADAERN COCCC(=O)C(C)=C(O)C1CC1 83053871 537893808 /nfs/dbraw/zinc/89/38/08/537893808.db2.gz LVWZEYNHZFPSMH-SSDOTTSWSA-N 0 0 184.235 1.207 10 0 ADAERN CC[C@@]1(CC(N)=O)CCCCO1 725244537 537893836 /nfs/dbraw/zinc/89/38/36/537893836.db2.gz YHJQHZPWMGVZKV-VIFPVBQESA-N 0 0 171.240 1.211 10 0 ADAERN CCCC(O)=C(C)C(=O)C1CC1 83053877 537893943 /nfs/dbraw/zinc/89/39/43/537893943.db2.gz FQKBFYUCSJIUHQ-SSDOTTSWSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C(=O)C1CC1)=C(O)C(C)C 83053873 537894094 /nfs/dbraw/zinc/89/40/94/537894094.db2.gz YWXLRVIDNYVXMD-SSDOTTSWSA-N 0 0 168.236 1.827 10 0 ADAERN C[C@@]1(CC(N)=S)CCCCO1 725244374 537894108 /nfs/dbraw/zinc/89/41/08/537894108.db2.gz SWXBPXSKRLNLII-QMMMGPOBSA-N 0 0 173.281 1.622 10 0 ADAERN Cc1cc(Cl)n2nc(C)nc2c1 725243000 537894118 /nfs/dbraw/zinc/89/41/18/537894118.db2.gz FGXAJKSHSICVNR-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN O=C([O-])C[C@H]1[NH2+]CC[C@@H]1C(F)(F)F 82909815 537894153 /nfs/dbraw/zinc/89/41/53/537894153.db2.gz HAISXYHPTZYEBO-CRCLSJGQSA-N 0 0 197.156 1.002 10 0 ADAERN CCCc1cc(O)n2nc(C)nc2c1 725243045 537894308 /nfs/dbraw/zinc/89/43/08/537894308.db2.gz HJJAKFWEERSZIO-UHFFFAOYSA-N 0 0 191.234 1.696 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@@H]2CCC[C@@H]21 725244189 537894277 /nfs/dbraw/zinc/89/42/77/537894277.db2.gz PJGSBGUGPHLPRT-XHNCKOQMSA-N 0 0 183.251 1.442 10 0 ADAERN CC(C)c1nocc1CO 725241908 537894358 /nfs/dbraw/zinc/89/43/58/537894358.db2.gz VZHPNHXZZLSIMW-UHFFFAOYSA-N 0 0 141.170 1.290 10 0 ADAERN O=C([O-])C[C@@H]1[NH2+]CC[C@H]1C(F)(F)F 82909814 537894380 /nfs/dbraw/zinc/89/43/80/537894380.db2.gz HAISXYHPTZYEBO-UHNVWZDZSA-N 0 0 197.156 1.002 10 0 ADAERN CCOCCC(=O)C(C)=C(O)C1CC1 83053886 537894489 /nfs/dbraw/zinc/89/44/89/537894489.db2.gz VGWYVOHHESJPCE-MRVPVSSYSA-N 0 0 198.262 1.597 10 0 ADAERN C[C@H](N)C(=O)c1sccc1Cl 83277414 537894833 /nfs/dbraw/zinc/89/48/33/537894833.db2.gz DKIRCRCFZGTMPZ-BYPYZUCNSA-N 0 0 189.667 1.931 10 0 ADAERN CCc1cc(Cl)n2ncnc2c1 725246429 537894897 /nfs/dbraw/zinc/89/48/97/537894897.db2.gz MTMXBTPVIYQDFH-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN CC[C@@H](C(=O)OC)C(=O)C1CCC1 83123532 537894931 /nfs/dbraw/zinc/89/49/31/537894931.db2.gz TWDPKYLBWSEOBG-MRVPVSSYSA-N 0 0 184.235 1.555 10 0 ADAERN COCCC(=O)C(C)=C(O)C1CC1 83053870 537895075 /nfs/dbraw/zinc/89/50/75/537895075.db2.gz LVWZEYNHZFPSMH-ZETCQYMHSA-N 0 0 184.235 1.207 10 0 ADAERN CN(c1ccc(C=O)cn1)C1CC1 83137940 537895228 /nfs/dbraw/zinc/89/52/28/537895228.db2.gz PTZJJQKWMIQEKV-UHFFFAOYSA-N 0 0 176.219 1.493 10 0 ADAERN CCOCCC(=O)C(C)=C(O)C1CC1 83053888 537895249 /nfs/dbraw/zinc/89/52/49/537895249.db2.gz VGWYVOHHESJPCE-QMMMGPOBSA-N 0 0 198.262 1.597 10 0 ADAERN Cc1cc2ncnn2c(Cl)c1C 725245381 537895379 /nfs/dbraw/zinc/89/53/79/537895379.db2.gz CRHOHUXULYRTLC-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN CCC1(CC)CC(C[NH3+])(C(=O)[O-])C1 83164644 537895738 /nfs/dbraw/zinc/89/57/38/537895738.db2.gz BHNJGNYRXBYXKX-UHFFFAOYSA-N 0 0 185.267 1.616 10 0 ADAERN CC(C(=O)C1CC1)=C(O)C(C)C 83053875 537896413 /nfs/dbraw/zinc/89/64/13/537896413.db2.gz YWXLRVIDNYVXMD-ZETCQYMHSA-N 0 0 168.236 1.827 10 0 ADAERN CC[C@H](C(=O)OC)C(=O)C1CCC1 83123530 537896591 /nfs/dbraw/zinc/89/65/91/537896591.db2.gz TWDPKYLBWSEOBG-QMMMGPOBSA-N 0 0 184.235 1.555 10 0 ADAERN COC(OC)c1nc(C(C)C)no1 725245450 537896613 /nfs/dbraw/zinc/89/66/13/537896613.db2.gz HLZSPFPHCYOILH-UHFFFAOYSA-N 0 0 186.211 1.484 10 0 ADAERN CCCC(O)=C(C)C(=O)C1CC1 83053878 537896648 /nfs/dbraw/zinc/89/66/48/537896648.db2.gz FQKBFYUCSJIUHQ-ZETCQYMHSA-N 0 0 168.236 1.971 10 0 ADAERN O=C([O-])C[C@@H]1[NH2+]CC[C@@H]1C(F)(F)F 82909816 537896707 /nfs/dbraw/zinc/89/67/07/537896707.db2.gz HAISXYHPTZYEBO-WHFBIAKZSA-N 0 0 197.156 1.002 10 0 ADAERN C[C@@H](N)C(=O)c1sccc1Cl 83277415 537896688 /nfs/dbraw/zinc/89/66/88/537896688.db2.gz DKIRCRCFZGTMPZ-SCSAIBSYSA-N 0 0 189.667 1.931 10 0 ADAERN CC(C)n1cncc1-c1cnn(C)c1 725245367 537897385 /nfs/dbraw/zinc/89/73/85/537897385.db2.gz GCCJQFWKHZBJJB-UHFFFAOYSA-N 0 0 190.250 1.865 10 0 ADAERN CCCc1noc(C(OC)OC)n1 725244981 537897725 /nfs/dbraw/zinc/89/77/25/537897725.db2.gz CKKZIDCGSAAVIP-UHFFFAOYSA-N 0 0 186.211 1.314 10 0 ADAERN Nc1cnn(CCC[C@@H]2CCCO2)c1 83526941 537898042 /nfs/dbraw/zinc/89/80/42/537898042.db2.gz OTEPIZNYMCBCNB-SNVBAGLBSA-N 0 0 195.266 1.425 10 0 ADAERN CCC[C@@H](C)n1ccc(=O)c(N)c1 725247389 537898443 /nfs/dbraw/zinc/89/84/43/537898443.db2.gz QRNGQOTWVPCQKZ-MRVPVSSYSA-N 0 0 180.251 1.792 10 0 ADAERN Nc1cn(COC2CCCC2)cn1 725248574 537898546 /nfs/dbraw/zinc/89/85/46/537898546.db2.gz XPXNIQONXAGYHH-UHFFFAOYSA-N 0 0 181.239 1.382 10 0 ADAERN Nc1cn(CCOC(F)(F)F)cn1 725248667 537898566 /nfs/dbraw/zinc/89/85/66/537898566.db2.gz BMGUDQSKXUFITF-UHFFFAOYSA-N 0 0 195.144 1.002 10 0 ADAERN CCC[C@H](C)n1cccc(N)c1=O 725247372 537898654 /nfs/dbraw/zinc/89/86/54/537898654.db2.gz NXIPMOIHHLAWEK-QMMMGPOBSA-N 0 0 180.251 1.792 10 0 ADAERN Nc1ccc2cnn(C3COC3)c2c1 725247241 537898772 /nfs/dbraw/zinc/89/87/72/537898772.db2.gz FCSHBHQPOAIWPL-UHFFFAOYSA-N 0 0 189.218 1.190 10 0 ADAERN CC[C@@H](C)n1cc(N)ccc1=O 725247227 537898916 /nfs/dbraw/zinc/89/89/16/537898916.db2.gz CPKCXQHYQINNIJ-SSDOTTSWSA-N 0 0 166.224 1.402 10 0 ADAERN CCC[C@H](C)n1ccc(=O)c(N)c1 725247390 537898981 /nfs/dbraw/zinc/89/89/81/537898981.db2.gz QRNGQOTWVPCQKZ-QMMMGPOBSA-N 0 0 180.251 1.792 10 0 ADAERN Nc1cn(COC2CCCCC2)cn1 725247345 537898995 /nfs/dbraw/zinc/89/89/95/537898995.db2.gz JVMHKOBGYFNLQA-UHFFFAOYSA-N 0 0 195.266 1.772 10 0 ADAERN Nc1cn(C2CCCC2)ccc1=O 725248690 537899043 /nfs/dbraw/zinc/89/90/43/537899043.db2.gz KKOAIIABCPUNHO-UHFFFAOYSA-N 0 0 178.235 1.546 10 0 ADAERN CC[C@H](C)n1cc(N)c(C)cc1=O 725247392 537899266 /nfs/dbraw/zinc/89/92/66/537899266.db2.gz QRZXQXAULSUSJH-QMMMGPOBSA-N 0 0 180.251 1.710 10 0 ADAERN Nc1ccn(CCC[C@H]2CCCO2)n1 83526950 537899271 /nfs/dbraw/zinc/89/92/71/537899271.db2.gz JYKIGYAQZUXVSW-VIFPVBQESA-N 0 0 195.266 1.425 10 0 ADAERN Nc1ccn(CCC[C@@H]2CCCO2)n1 83526949 537899378 /nfs/dbraw/zinc/89/93/78/537899378.db2.gz JYKIGYAQZUXVSW-SECBINFHSA-N 0 0 195.266 1.425 10 0 ADAERN Nc1cn(C[C@H]2CCCC[C@H]2O)cn1 725247279 537899481 /nfs/dbraw/zinc/89/94/81/537899481.db2.gz GFLSGTWEBNOQQR-RKDXNWHRSA-N 0 0 195.266 1.016 10 0 ADAERN CC[C@@H](C)n1c(C)c(N)ccc1=O 725247338 537899505 /nfs/dbraw/zinc/89/95/05/537899505.db2.gz JOHXQEAFSLWNIS-SSDOTTSWSA-N 0 0 180.251 1.710 10 0 ADAERN Nc1cn(C[C@@H]2CCCC[C@H]2O)cn1 725247277 537899517 /nfs/dbraw/zinc/89/95/17/537899517.db2.gz GFLSGTWEBNOQQR-DTWKUNHWSA-N 0 0 195.266 1.016 10 0 ADAERN CO[C@@H]1CCC[C@@H]1n1cnc(N)c1 725248584 537899760 /nfs/dbraw/zinc/89/97/60/537899760.db2.gz ZANKLLHKZVMEDJ-JGVFFNPUSA-N 0 0 181.239 1.205 10 0 ADAERN CC[C@@H](C)n1cc(N)cc1C(=O)OC 725247362 537899802 /nfs/dbraw/zinc/89/98/02/537899802.db2.gz MWMKHYROBYUIAD-SSDOTTSWSA-N 0 0 196.250 1.828 10 0 ADAERN Nc1cnn(CCC[C@H]2CCCO2)c1 83526942 537899870 /nfs/dbraw/zinc/89/98/70/537899870.db2.gz OTEPIZNYMCBCNB-JTQLQIEISA-N 0 0 195.266 1.425 10 0 ADAERN CC(C)(C)OCCn1cnc(N)c1 725248538 537899900 /nfs/dbraw/zinc/89/99/00/537899900.db2.gz QLJNVARICNYHHQ-UHFFFAOYSA-N 0 0 183.255 1.280 10 0 ADAERN Fc1ccc(F)c(N2CCCC2)n1 725247564 537899975 /nfs/dbraw/zinc/89/99/75/537899975.db2.gz QJLXHFCSZZAGOV-UHFFFAOYSA-N 0 0 184.189 1.960 10 0 ADAERN [NH3+]C[C@H](C[C@@H]1CC=CCC1)C(=O)[O-] 725246709 537900021 /nfs/dbraw/zinc/90/00/21/537900021.db2.gz UESLYBWUQSUROJ-BDAKNGLRSA-N 0 0 183.251 1.392 10 0 ADAERN CCOCCCn1cc(C)c(N)n1 83551260 537900163 /nfs/dbraw/zinc/90/01/63/537900163.db2.gz HOMASULUXJLZQS-UHFFFAOYSA-N 0 0 183.255 1.200 10 0 ADAERN CO[C@H]1CCC[C@H]1n1cnc(N)c1 725248585 537900261 /nfs/dbraw/zinc/90/02/61/537900261.db2.gz ZANKLLHKZVMEDJ-SFYZADRCSA-N 0 0 181.239 1.205 10 0 ADAERN Nc1cn(Cc2cccc(O)c2)cn1 725248666 537900347 /nfs/dbraw/zinc/90/03/47/537900347.db2.gz AUJWKYKRFLFGCX-UHFFFAOYSA-N 0 0 189.218 1.219 10 0 ADAERN CCSCCCn1cnc(N)c1 725248488 537900364 /nfs/dbraw/zinc/90/03/64/537900364.db2.gz HEHRJWAAMMXLML-UHFFFAOYSA-N 0 0 185.296 1.609 10 0 ADAERN CCC(CC)n1cc(N)ccc1=O 725247354 537900397 /nfs/dbraw/zinc/90/03/97/537900397.db2.gz LMFYUPWPKSUENE-UHFFFAOYSA-N 0 0 180.251 1.792 10 0 ADAERN Cc1c(N)ccc(=O)n1C1CCCC1 725248676 537900462 /nfs/dbraw/zinc/90/04/62/537900462.db2.gz GRPVVABFLCTQII-UHFFFAOYSA-N 0 0 192.262 1.854 10 0 ADAERN Nc1cn(C[C@@H]2CCCC[C@@H]2O)cn1 725247278 537900782 /nfs/dbraw/zinc/90/07/82/537900782.db2.gz GFLSGTWEBNOQQR-IUCAKERBSA-N 0 0 195.266 1.016 10 0 ADAERN [NH3+]C[C@H](C[C@H]1CC=CCC1)C(=O)[O-] 725246711 537900929 /nfs/dbraw/zinc/90/09/29/537900929.db2.gz UESLYBWUQSUROJ-IUCAKERBSA-N 0 0 183.251 1.392 10 0 ADAERN Cc1ccnc(-n2ccc(=O)[nH]2)c1 725246975 537901024 /nfs/dbraw/zinc/90/10/24/537901024.db2.gz CDNQBALDPCNXCB-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN CCC[C@H](C)n1cc(N)ccc1=O 725247239 537901097 /nfs/dbraw/zinc/90/10/97/537901097.db2.gz DYPMJYZWZHEVAE-QMMMGPOBSA-N 0 0 180.251 1.792 10 0 ADAERN CC[C@@H](C)n1cc(N)c(C)cc1=O 725247391 537901125 /nfs/dbraw/zinc/90/11/25/537901125.db2.gz QRZXQXAULSUSJH-MRVPVSSYSA-N 0 0 180.251 1.710 10 0 ADAERN CC[C@H](C)n1c(C)c(N)ccc1=O 725247342 537901133 /nfs/dbraw/zinc/90/11/33/537901133.db2.gz JOHXQEAFSLWNIS-ZETCQYMHSA-N 0 0 180.251 1.710 10 0 ADAERN CC[C@H](C)n1ccc(=O)c(N)c1 725247386 537901421 /nfs/dbraw/zinc/90/14/21/537901421.db2.gz QHTOLBOVLULEHA-ZETCQYMHSA-N 0 0 166.224 1.402 10 0 ADAERN CC[C@@H](C)n1ccc(=O)c(N)c1 725247385 537901432 /nfs/dbraw/zinc/90/14/32/537901432.db2.gz QHTOLBOVLULEHA-SSDOTTSWSA-N 0 0 166.224 1.402 10 0 ADAERN CCC(CC)Cn1cnc(N)c1 725248694 537901488 /nfs/dbraw/zinc/90/14/88/537901488.db2.gz MNQAHCXRBPQIEA-UHFFFAOYSA-N 0 0 167.256 1.902 10 0 ADAERN CCC[C@@H](C)n1cc(N)ccc1=O 725247238 537901687 /nfs/dbraw/zinc/90/16/87/537901687.db2.gz DYPMJYZWZHEVAE-MRVPVSSYSA-N 0 0 180.251 1.792 10 0 ADAERN CCC[C@@H](C)n1cccc(N)c1=O 725247371 537901699 /nfs/dbraw/zinc/90/16/99/537901699.db2.gz NXIPMOIHHLAWEK-MRVPVSSYSA-N 0 0 180.251 1.792 10 0 ADAERN Nc1cn(CCCCCCO)cn1 725248475 537901726 /nfs/dbraw/zinc/90/17/26/537901726.db2.gz DPPKNGVXAPUBLI-UHFFFAOYSA-N 0 0 183.255 1.018 10 0 ADAERN [NH3+]C[C@@H](C[C@@H]1CC=CCC1)C(=O)[O-] 725246712 537901903 /nfs/dbraw/zinc/90/19/03/537901903.db2.gz UESLYBWUQSUROJ-RKDXNWHRSA-N 0 0 183.251 1.392 10 0 ADAERN CCOC(=O)CC(=O)[C@H]1C[C@@H]1C 83809874 537901956 /nfs/dbraw/zinc/90/19/56/537901956.db2.gz XGMKOYOFCPTMQM-BQBZGAKWSA-N 0 0 170.208 1.165 10 0 ADAERN [NH3+]C[C@@H](C[C@H]1CC=CCC1)C(=O)[O-] 725246710 537901974 /nfs/dbraw/zinc/90/19/74/537901974.db2.gz UESLYBWUQSUROJ-DTWKUNHWSA-N 0 0 183.251 1.392 10 0 ADAERN C[C@H](O)Cn1ccc2ccc(N)cc21 83676762 537902063 /nfs/dbraw/zinc/90/20/63/537902063.db2.gz AVHLRPWWVOJSQV-QMMMGPOBSA-N 0 0 190.246 1.604 10 0 ADAERN Cc1c(N)ccc(=O)n1C(C)C 725247764 537902086 /nfs/dbraw/zinc/90/20/86/537902086.db2.gz XJKCIWFHEBNXPC-UHFFFAOYSA-N 0 0 166.224 1.320 10 0 ADAERN Nc1cccc2ccn(C3COC3)c12 725247242 537902094 /nfs/dbraw/zinc/90/20/94/537902094.db2.gz FFERLGNCCRXVLM-UHFFFAOYSA-N 0 0 188.230 1.795 10 0 ADAERN C[C@@H](O)Cn1ccc2ccc(N)cc21 83676764 537902118 /nfs/dbraw/zinc/90/21/18/537902118.db2.gz AVHLRPWWVOJSQV-MRVPVSSYSA-N 0 0 190.246 1.604 10 0 ADAERN CC(C)(C)CCOCn1cnc(N)c1 725247384 537902121 /nfs/dbraw/zinc/90/21/21/537902121.db2.gz PTHVMXMQPGWCQY-UHFFFAOYSA-N 0 0 197.282 1.876 10 0 ADAERN COC(=O)[C@H](C)C(=O)[C@@H]1C[C@H]1C 83809887 537902134 /nfs/dbraw/zinc/90/21/34/537902134.db2.gz DLHVNICUGUCAOR-FSDSQADBSA-N 0 0 170.208 1.021 10 0 ADAERN CC[C@H](C)n1cc(N)ccc1=O 725247230 537902164 /nfs/dbraw/zinc/90/21/64/537902164.db2.gz CPKCXQHYQINNIJ-ZETCQYMHSA-N 0 0 166.224 1.402 10 0 ADAERN CO[C@@H]1CCC[C@H]1n1cnc(N)c1 725248583 537902179 /nfs/dbraw/zinc/90/21/79/537902179.db2.gz ZANKLLHKZVMEDJ-HTQZYQBOSA-N 0 0 181.239 1.205 10 0 ADAERN CO[C@H]1CCC[C@@H]1n1cnc(N)c1 725248586 537902222 /nfs/dbraw/zinc/90/22/22/537902222.db2.gz ZANKLLHKZVMEDJ-YUMQZZPRSA-N 0 0 181.239 1.205 10 0 ADAERN CCC(CC)n1ccc(=O)c(N)c1 725247275 537902344 /nfs/dbraw/zinc/90/23/44/537902344.db2.gz FZWRVDXSCYGODE-UHFFFAOYSA-N 0 0 180.251 1.792 10 0 ADAERN Cc1cc(=O)n(C(C)C)cc1N 725247683 537902399 /nfs/dbraw/zinc/90/23/99/537902399.db2.gz UPQIJWXSFMOHTD-UHFFFAOYSA-N 0 0 166.224 1.320 10 0 ADAERN CCc1nn(C2COC2)c(CC)c1N 725247304 537902407 /nfs/dbraw/zinc/90/24/07/537902407.db2.gz IUVQZPQIYUYLRD-UHFFFAOYSA-N 0 0 195.266 1.161 10 0 ADAERN Nc1cn(C[C@H]2CCCC[C@@H]2O)cn1 725247276 537902412 /nfs/dbraw/zinc/90/24/12/537902412.db2.gz GFLSGTWEBNOQQR-BDAKNGLRSA-N 0 0 195.266 1.016 10 0 ADAERN CC[C@H](C)n1cc(N)cc1C(=O)OC 725247363 537902470 /nfs/dbraw/zinc/90/24/70/537902470.db2.gz MWMKHYROBYUIAD-ZETCQYMHSA-N 0 0 196.250 1.828 10 0 ADAERN Nc1cn([C@H]2CCSC2)ccc1=O 725249526 537908411 /nfs/dbraw/zinc/90/84/11/537908411.db2.gz RQXURRNPRAXFSH-ZETCQYMHSA-N 0 0 196.275 1.109 10 0 ADAERN CCOC(=O)CC(=O)[C@@H]1C[C@H]1C 83809875 537902897 /nfs/dbraw/zinc/90/28/97/537902897.db2.gz XGMKOYOFCPTMQM-RNFRBKRXSA-N 0 0 170.208 1.165 10 0 ADAERN COC(=O)[C@H](C)C(=O)[C@H]1C[C@H]1C 83809885 537903168 /nfs/dbraw/zinc/90/31/68/537903168.db2.gz DLHVNICUGUCAOR-QYNIQEEDSA-N 0 0 170.208 1.021 10 0 ADAERN C[C@H]1CC[C@@H](Cn2cnc(N)c2)O1 725248764 537902951 /nfs/dbraw/zinc/90/29/51/537902951.db2.gz HCRJVCQRDQDPKG-YUMQZZPRSA-N 0 0 181.239 1.033 10 0 ADAERN Nc1cn(Cc2ccc(O)cc2)cn1 725248860 537902982 /nfs/dbraw/zinc/90/29/82/537902982.db2.gz IREDCPGWXLAACX-UHFFFAOYSA-N 0 0 189.218 1.219 10 0 ADAERN CC(C)[C@H](C)n1ccc(=O)c(N)c1 725249252 537902996 /nfs/dbraw/zinc/90/29/96/537902996.db2.gz MYWXYZCCWCOHMC-QMMMGPOBSA-N 0 0 180.251 1.648 10 0 ADAERN Nc1cn(C[C@@H]2CCCCO2)cn1 725248776 537903004 /nfs/dbraw/zinc/90/30/04/537903004.db2.gz LJQRCZQXKMEEQM-QMMMGPOBSA-N 0 0 181.239 1.034 10 0 ADAERN CC(C)(C)SCCn1cnc(N)c1 725249075 537903037 /nfs/dbraw/zinc/90/30/37/537903037.db2.gz FTNLGRZZNFJVRI-UHFFFAOYSA-N 0 0 199.323 1.997 10 0 ADAERN C[C@@H]1CC[C@H](Cn2cnc(N)c2)O1 725248761 537903097 /nfs/dbraw/zinc/90/30/97/537903097.db2.gz HCRJVCQRDQDPKG-HTQZYQBOSA-N 0 0 181.239 1.033 10 0 ADAERN C[C@@H]1CC[C@@H](Cn2cnc(N)c2)O1 725248763 537903152 /nfs/dbraw/zinc/90/31/52/537903152.db2.gz HCRJVCQRDQDPKG-SFYZADRCSA-N 0 0 181.239 1.033 10 0 ADAERN Nc1cn(C2CCCCC2)ccc1=O 725248908 537903183 /nfs/dbraw/zinc/90/31/83/537903183.db2.gz XMIBGTDUTWFIRB-UHFFFAOYSA-N 0 0 192.262 1.936 10 0 ADAERN Cc1ncccc1Cn1cnc(N)c1 725249154 537903218 /nfs/dbraw/zinc/90/32/18/537903218.db2.gz PXVNUCNDYRLVEJ-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CC[C@@H](C)OCn1cnc(N)c1 725248861 537903241 /nfs/dbraw/zinc/90/32/41/537903241.db2.gz IUUZHJWQWQEYFO-SSDOTTSWSA-N 0 0 169.228 1.238 10 0 ADAERN CC(C)CCCn1cnc(N)c1 725248913 537903326 /nfs/dbraw/zinc/90/33/26/537903326.db2.gz ZGIIHMLICKIHHC-UHFFFAOYSA-N 0 0 167.256 1.902 10 0 ADAERN Nc1cn(C[C@H]2CCC[C@H](O)C2)cn1 725249094 537903351 /nfs/dbraw/zinc/90/33/51/537903351.db2.gz HRQYERIVKRXOSU-IUCAKERBSA-N 0 0 195.266 1.016 10 0 ADAERN CC(C)(C)CCn1cnc(N)c1 725248929 537903407 /nfs/dbraw/zinc/90/34/07/537903407.db2.gz HOOPXBDDJLUOAC-UHFFFAOYSA-N 0 0 167.256 1.902 10 0 ADAERN CCOC(=O)CC(=O)[C@H]1C[C@H]1C 83809876 537903430 /nfs/dbraw/zinc/90/34/30/537903430.db2.gz XGMKOYOFCPTMQM-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN Nc1cn(CC2CCCC2)cn1 725248735 537903483 /nfs/dbraw/zinc/90/34/83/537903483.db2.gz YLHZMYKFYIRZIF-UHFFFAOYSA-N 0 0 165.240 1.656 10 0 ADAERN Nc1cn(CC[C@H]2CCCO2)cn1 725248733 537903617 /nfs/dbraw/zinc/90/36/17/537903617.db2.gz YJORGGWFOUGDOL-MRVPVSSYSA-N 0 0 181.239 1.034 10 0 ADAERN COCC[C@H](C)n1cccc(N)c1=O 725248873 537903737 /nfs/dbraw/zinc/90/37/37/537903737.db2.gz KWDFBOXDJHYKTG-QMMMGPOBSA-N 0 0 196.250 1.028 10 0 ADAERN COC(C)(C)CCn1cnc(N)c1 725248803 537903811 /nfs/dbraw/zinc/90/38/11/537903811.db2.gz SQPYBRMYJQDPKC-UHFFFAOYSA-N 0 0 183.255 1.280 10 0 ADAERN COC(=O)[C@H](C)C(=O)[C@H]1C[C@@H]1C 83809886 537903847 /nfs/dbraw/zinc/90/38/47/537903847.db2.gz DLHVNICUGUCAOR-XVMARJQXSA-N 0 0 170.208 1.021 10 0 ADAERN CCC[C@H](C)Cn1cnc(N)c1 725248900 537903902 /nfs/dbraw/zinc/90/39/02/537903902.db2.gz SEUNFPUSNSDTMA-QMMMGPOBSA-N 0 0 167.256 1.902 10 0 ADAERN CO[C@@H](Cn1cnc(N)c1)C(C)C 725249074 537903858 /nfs/dbraw/zinc/90/38/58/537903858.db2.gz FNKBUOPRCLWGDQ-QMMMGPOBSA-N 0 0 183.255 1.136 10 0 ADAERN CCOC(=O)CC(=O)[C@@H]1C[C@@H]1C 83809873 537904023 /nfs/dbraw/zinc/90/40/23/537904023.db2.gz XGMKOYOFCPTMQM-NKWVEPMBSA-N 0 0 170.208 1.165 10 0 ADAERN CC(C)[C@H](C)n1cccc(N)c1=O 725249233 537904198 /nfs/dbraw/zinc/90/41/98/537904198.db2.gz GCVMICJQIYOFSJ-QMMMGPOBSA-N 0 0 180.251 1.648 10 0 ADAERN CC(C)[C@@H](C)n1cc(N)ccc1=O 725249275 537904204 /nfs/dbraw/zinc/90/42/04/537904204.db2.gz WLCHHGFWRUDRRP-MRVPVSSYSA-N 0 0 180.251 1.648 10 0 ADAERN Nc1cn(C[C@@H]2CCC[C@@H](O)C2)cn1 725249095 537904285 /nfs/dbraw/zinc/90/42/85/537904285.db2.gz HRQYERIVKRXOSU-RKDXNWHRSA-N 0 0 195.266 1.016 10 0 ADAERN Cc1c(N)ccc(=O)n1[C@H](C)C(C)C 725249282 537904295 /nfs/dbraw/zinc/90/42/95/537904295.db2.gz XOWJOJCTIZPKTP-MRVPVSSYSA-N 0 0 194.278 1.956 10 0 ADAERN COC(=O)[C@H](C)C(=O)[C@@H]1C[C@@H]1C 83809888 537904298 /nfs/dbraw/zinc/90/42/98/537904298.db2.gz DLHVNICUGUCAOR-RRKCRQDMSA-N 0 0 170.208 1.021 10 0 ADAERN Cc1cccc(Cn2cnc(N)c2)n1 725249187 537904389 /nfs/dbraw/zinc/90/43/89/537904389.db2.gz WXGXVASLRKGVMV-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CC1(C)CC[C@@H](Cn2cnc(N)c2)O1 725249135 537904347 /nfs/dbraw/zinc/90/43/47/537904347.db2.gz MOLWSASPIYHQDO-QMMMGPOBSA-N 0 0 195.266 1.423 10 0 ADAERN CC1(C)CC[C@H](Cn2cnc(N)c2)O1 725249134 537904376 /nfs/dbraw/zinc/90/43/76/537904376.db2.gz MOLWSASPIYHQDO-MRVPVSSYSA-N 0 0 195.266 1.423 10 0 ADAERN CC(C)[C@@H](C)n1ccc(=O)c(N)c1 725249251 537904542 /nfs/dbraw/zinc/90/45/42/537904542.db2.gz MYWXYZCCWCOHMC-MRVPVSSYSA-N 0 0 180.251 1.648 10 0 ADAERN CCC[C@@H](C)Cn1cnc(N)c1 725248899 537904562 /nfs/dbraw/zinc/90/45/62/537904562.db2.gz SEUNFPUSNSDTMA-MRVPVSSYSA-N 0 0 167.256 1.902 10 0 ADAERN CCC(CC)OCn1cnc(N)c1 725249142 537904590 /nfs/dbraw/zinc/90/45/90/537904590.db2.gz OFTUYRDZQZRSGH-UHFFFAOYSA-N 0 0 183.255 1.628 10 0 ADAERN COCC[C@H](C)n1cc(N)ccc1=O 725248898 537904614 /nfs/dbraw/zinc/90/46/14/537904614.db2.gz SDPXGPGCBLSEKF-QMMMGPOBSA-N 0 0 196.250 1.028 10 0 ADAERN COCC[C@@H](C)n1ccc(=O)c(N)c1 725248914 537904697 /nfs/dbraw/zinc/90/46/97/537904697.db2.gz ZQOLVWNYTKCXLC-MRVPVSSYSA-N 0 0 196.250 1.028 10 0 ADAERN Cc1cccnc1Cn1cnc(N)c1 725248769 537904776 /nfs/dbraw/zinc/90/47/76/537904776.db2.gz IJGFSCCLCRQECE-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Nc1ccc(=O)n(C2CCCCC2)c1 725248858 537904793 /nfs/dbraw/zinc/90/47/93/537904793.db2.gz HVEAPSYASBQHMO-UHFFFAOYSA-N 0 0 192.262 1.936 10 0 ADAERN Nc1ccn(CCOC(F)(F)F)n1 84178139 537904831 /nfs/dbraw/zinc/90/48/31/537904831.db2.gz AAOBCTXEYGOMMV-UHFFFAOYSA-N 0 0 195.144 1.002 10 0 ADAERN Cc1cc(=O)n([C@H](C)C(C)C)cc1N 725249264 537904907 /nfs/dbraw/zinc/90/49/07/537904907.db2.gz RJEYLPVWSXJSFK-SECBINFHSA-N 0 0 194.278 1.956 10 0 ADAERN Cc1cc(=O)n(C2CCCC2)cc1N 725248715 537904927 /nfs/dbraw/zinc/90/49/27/537904927.db2.gz SEIVIOHZYKQUPA-UHFFFAOYSA-N 0 0 192.262 1.854 10 0 ADAERN Cc1cc(Cn2cnc(N)c2)cs1 725248767 537904938 /nfs/dbraw/zinc/90/49/38/537904938.db2.gz HUQUCWMDWKEELQ-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN Cc1c(N)ccc(=O)n1[C@@H](C)C(C)C 725249283 537904994 /nfs/dbraw/zinc/90/49/94/537904994.db2.gz XOWJOJCTIZPKTP-QMMMGPOBSA-N 0 0 194.278 1.956 10 0 ADAERN Cc1cncc(Cn2cnc(N)c2)c1 725249182 537905060 /nfs/dbraw/zinc/90/50/60/537905060.db2.gz WFEXTBHASVZISG-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CC(C)COCCn1cnc(N)c1 725249188 537905152 /nfs/dbraw/zinc/90/51/52/537905152.db2.gz WZKCMDDEWNHAKU-UHFFFAOYSA-N 0 0 183.255 1.138 10 0 ADAERN COCC[C@H](C)n1cnc(N)c1 725248827 537905188 /nfs/dbraw/zinc/90/51/88/537905188.db2.gz AOGBFTAJZYXMEW-ZETCQYMHSA-N 0 0 169.228 1.063 10 0 ADAERN COCC[C@@H](C)n1cc(N)ccc1=O 725248897 537905273 /nfs/dbraw/zinc/90/52/73/537905273.db2.gz SDPXGPGCBLSEKF-MRVPVSSYSA-N 0 0 196.250 1.028 10 0 ADAERN CC1(Cn2ccc(N)n2)CCOCC1 725249296 537905357 /nfs/dbraw/zinc/90/53/57/537905357.db2.gz DNENXARSJREGLL-UHFFFAOYSA-N 0 0 195.266 1.282 10 0 ADAERN Cc1cc(=O)n([C@@H](C)C(C)C)cc1N 725249265 537905464 /nfs/dbraw/zinc/90/54/64/537905464.db2.gz RJEYLPVWSXJSFK-VIFPVBQESA-N 0 0 194.278 1.956 10 0 ADAERN COCC[C@@H](C)n1cccc(N)c1=O 725248872 537905477 /nfs/dbraw/zinc/90/54/77/537905477.db2.gz KWDFBOXDJHYKTG-MRVPVSSYSA-N 0 0 196.250 1.028 10 0 ADAERN Nc1cn(C[C@H]2CCCCO2)cn1 725248775 537905489 /nfs/dbraw/zinc/90/54/89/537905489.db2.gz LJQRCZQXKMEEQM-MRVPVSSYSA-N 0 0 181.239 1.034 10 0 ADAERN Nc1cn(COCC(F)(F)F)cn1 725248909 537905517 /nfs/dbraw/zinc/90/55/17/537905517.db2.gz XXWLUSMLRDYBBN-UHFFFAOYSA-N 0 0 195.144 1.002 10 0 ADAERN C[C@H]1CC[C@H](Cn2cnc(N)c2)O1 725248762 537905587 /nfs/dbraw/zinc/90/55/87/537905587.db2.gz HCRJVCQRDQDPKG-JGVFFNPUSA-N 0 0 181.239 1.033 10 0 ADAERN Nc1cn(CCc2ccccn2)cn1 725249105 537905606 /nfs/dbraw/zinc/90/56/06/537905606.db2.gz IOGUGDKXQCDOGK-UHFFFAOYSA-N 0 0 188.234 1.103 10 0 ADAERN CC1(Cn2cnc(N)c2)CCC1 725248792 537905624 /nfs/dbraw/zinc/90/56/24/537905624.db2.gz OUDJBISTQQSDHN-UHFFFAOYSA-N 0 0 165.240 1.656 10 0 ADAERN Nc1cn(Cc2ccsc2)cn1 725248729 537905639 /nfs/dbraw/zinc/90/56/39/537905639.db2.gz WOZGCRJAWSYMLF-UHFFFAOYSA-N 0 0 179.248 1.575 10 0 ADAERN CC(C)(C)OCn1cnc(N)c1 725248937 537905651 /nfs/dbraw/zinc/90/56/51/537905651.db2.gz MCXMZXLTBXLVEI-UHFFFAOYSA-N 0 0 169.228 1.238 10 0 ADAERN Nc1cn(C[C@@H]2CCC[C@H](O)C2)cn1 725249092 537905697 /nfs/dbraw/zinc/90/56/97/537905697.db2.gz HRQYERIVKRXOSU-BDAKNGLRSA-N 0 0 195.266 1.016 10 0 ADAERN Nc1cn(CC[C@@H]2CCCO2)cn1 725248734 537905714 /nfs/dbraw/zinc/90/57/14/537905714.db2.gz YJORGGWFOUGDOL-QMMMGPOBSA-N 0 0 181.239 1.034 10 0 ADAERN Nc1cn(CCCC(F)(F)F)cn1 725248896 537905728 /nfs/dbraw/zinc/90/57/28/537905728.db2.gz RBNGLTYFYAOPOS-UHFFFAOYSA-N 0 0 193.172 1.808 10 0 ADAERN Cc1csc(Cn2cnc(N)c2)n1 725248812 537905766 /nfs/dbraw/zinc/90/57/66/537905766.db2.gz WQXNOXRPMYBSRQ-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CC(C)SCCn1cnc(N)c1 725248928 537905916 /nfs/dbraw/zinc/90/59/16/537905916.db2.gz HEWODQJASYMXDV-UHFFFAOYSA-N 0 0 185.296 1.607 10 0 ADAERN Nc1cn(CC2CCC(O)CC2)cn1 725249085 537905942 /nfs/dbraw/zinc/90/59/42/537905942.db2.gz GYRGUAIYMISOJZ-UHFFFAOYSA-N 0 0 195.266 1.016 10 0 ADAERN Nc1cn(CCc2cccnc2)cn1 725249171 537906004 /nfs/dbraw/zinc/90/60/04/537906004.db2.gz SYUWFFPXKSJCHG-UHFFFAOYSA-N 0 0 188.234 1.103 10 0 ADAERN CC1(Cn2cc(N)cn2)CCOCC1 725249318 537906055 /nfs/dbraw/zinc/90/60/55/537906055.db2.gz RGTIARRVANZFMP-UHFFFAOYSA-N 0 0 195.266 1.282 10 0 ADAERN Nc1cn(Cc2cncc(F)c2)cn1 725248907 537906064 /nfs/dbraw/zinc/90/60/64/537906064.db2.gz WAZXUNPKWXNPRL-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN Cc1cc(C)c(CCO)s1 84283758 537906087 /nfs/dbraw/zinc/90/60/87/537906087.db2.gz CMHWPABWJBUGDU-UHFFFAOYSA-N 0 0 156.250 1.900 10 0 ADAERN CCCCOCCn1cnc(N)c1 725249083 537906148 /nfs/dbraw/zinc/90/61/48/537906148.db2.gz GQRFJAQZEPDDOJ-UHFFFAOYSA-N 0 0 183.255 1.282 10 0 ADAERN CC(C)[C@H](C)n1cc(N)ccc1=O 725249276 537906189 /nfs/dbraw/zinc/90/61/89/537906189.db2.gz WLCHHGFWRUDRRP-QMMMGPOBSA-N 0 0 180.251 1.648 10 0 ADAERN CC[C@H](C)OCn1cnc(N)c1 725248862 537906199 /nfs/dbraw/zinc/90/61/99/537906199.db2.gz IUUZHJWQWQEYFO-ZETCQYMHSA-N 0 0 169.228 1.238 10 0 ADAERN Nc1cn(CCc2cccs2)cn1 725249194 537906213 /nfs/dbraw/zinc/90/62/13/537906213.db2.gz YNOHQLGHDUCQCP-UHFFFAOYSA-N 0 0 193.275 1.770 10 0 ADAERN Nc1cn(CC(F)(F)C(F)F)cn1 725249144 537906227 /nfs/dbraw/zinc/90/62/27/537906227.db2.gz OLLAPQLZTKAFGQ-UHFFFAOYSA-N 0 0 197.135 1.366 10 0 ADAERN CC(C)[C@@H](C)n1cccc(N)c1=O 725249232 537906258 /nfs/dbraw/zinc/90/62/58/537906258.db2.gz GCVMICJQIYOFSJ-MRVPVSSYSA-N 0 0 180.251 1.648 10 0 ADAERN COCC[C@@H](C)n1cnc(N)c1 725248826 537906266 /nfs/dbraw/zinc/90/62/66/537906266.db2.gz AOGBFTAJZYXMEW-SSDOTTSWSA-N 0 0 169.228 1.063 10 0 ADAERN Cc1cccc(Cn2cnc(N)c2)c1 725248797 537906296 /nfs/dbraw/zinc/90/62/96/537906296.db2.gz QKMDORZBWKMJDN-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN Nc1cn(CCc2ccncc2)cn1 725249112 537906310 /nfs/dbraw/zinc/90/63/10/537906310.db2.gz JBHHUTRZWKARCV-UHFFFAOYSA-N 0 0 188.234 1.103 10 0 ADAERN Cc1nc(Cn2cnc(N)c2)cs1 725248737 537906336 /nfs/dbraw/zinc/90/63/36/537906336.db2.gz ZFKASDBWUFOBLL-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Nc1cnn(CCOC(F)(F)F)c1 84178137 537906546 /nfs/dbraw/zinc/90/65/46/537906546.db2.gz LXNVAHLHHYZLCY-UHFFFAOYSA-N 0 0 195.144 1.002 10 0 ADAERN CO[C@H](Cn1cnc(N)c1)C(C)C 725249073 537906586 /nfs/dbraw/zinc/90/65/86/537906586.db2.gz FNKBUOPRCLWGDQ-MRVPVSSYSA-N 0 0 183.255 1.136 10 0 ADAERN Nc1cn(C[C@H]2CCC[C@@H](O)C2)cn1 725249093 537906628 /nfs/dbraw/zinc/90/66/28/537906628.db2.gz HRQYERIVKRXOSU-DTWKUNHWSA-N 0 0 195.266 1.016 10 0 ADAERN COCC[C@H](C)n1ccc(=O)c(N)c1 725248915 537906718 /nfs/dbraw/zinc/90/67/18/537906718.db2.gz ZQOLVWNYTKCXLC-QMMMGPOBSA-N 0 0 196.250 1.028 10 0 ADAERN Cc1ccccc1Cn1cnc(N)c1 725248849 537906814 /nfs/dbraw/zinc/90/68/14/537906814.db2.gz GIGZPMDLRBEMGT-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN Nc1cn(CCCCCF)cn1 725248787 537906829 /nfs/dbraw/zinc/90/68/29/537906829.db2.gz NLEOSPRNQVEJQO-UHFFFAOYSA-N 0 0 171.219 1.605 10 0 ADAERN CC1CC(Cn2cc(N)ccc2=O)C1 725249824 537907101 /nfs/dbraw/zinc/90/71/01/537907101.db2.gz JFCGTJLQGOVKOL-UHFFFAOYSA-N 0 0 192.262 1.477 10 0 ADAERN C[C@@H]1CCC[C@@H](Cn2ncc(N)n2)C1 725249582 537907119 /nfs/dbraw/zinc/90/71/19/537907119.db2.gz BIVDCNVTZMIIPK-RKDXNWHRSA-N 0 0 194.282 1.687 10 0 ADAERN CC(C)C[C@H](C)Cn1ncc(N)n1 725249640 537907199 /nfs/dbraw/zinc/90/71/99/537907199.db2.gz GFYDILMAFDMBEL-QMMMGPOBSA-N 0 0 182.271 1.543 10 0 ADAERN CC(C)OC(C)(C)Cn1ccc(N)n1 725249856 537907233 /nfs/dbraw/zinc/90/72/33/537907233.db2.gz LMNXZFIGDXZNLD-UHFFFAOYSA-N 0 0 197.282 1.669 10 0 ADAERN Nc1cn([C@@H]2CCSC2)ccc1=O 725249525 537907269 /nfs/dbraw/zinc/90/72/69/537907269.db2.gz RQXURRNPRAXFSH-SSDOTTSWSA-N 0 0 196.275 1.109 10 0 ADAERN CC(C)CCCn1ncc(N)n1 725249870 537907288 /nfs/dbraw/zinc/90/72/88/537907288.db2.gz OPHRWZLUGBIFGM-UHFFFAOYSA-N 0 0 168.244 1.297 10 0 ADAERN Cc1c(N)ccc(=O)n1C1CCC1 725249820 537907297 /nfs/dbraw/zinc/90/72/97/537907297.db2.gz IOLHOXYLVVXDFK-UHFFFAOYSA-N 0 0 178.235 1.464 10 0 ADAERN Cc1cc(N)nn1Cc1cscn1 725249764 537907334 /nfs/dbraw/zinc/90/73/34/537907334.db2.gz FVIZAZFGOKJZRI-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Nc1ccc(=O)n([C@@H]2CCSC2)c1 725249518 537907378 /nfs/dbraw/zinc/90/73/78/537907378.db2.gz POBSZXNMHRVJPD-MRVPVSSYSA-N 0 0 196.275 1.109 10 0 ADAERN Nc1cnn(COC2CCCCC2)n1 725249631 537907408 /nfs/dbraw/zinc/90/74/08/537907408.db2.gz FKKCJTDYLSQHIR-UHFFFAOYSA-N 0 0 196.254 1.167 10 0 ADAERN CC1(C)C[C@H]1CCCn1cnc(N)n1 725249848 537907471 /nfs/dbraw/zinc/90/74/71/537907471.db2.gz LDEVAYSSZHETQP-MRVPVSSYSA-N 0 0 194.282 1.687 10 0 ADAERN Nc1cnn(CCC2CCCC2)n1 725249568 537907495 /nfs/dbraw/zinc/90/74/95/537907495.db2.gz AWMFDCRMDYHSKB-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN Cc1cc(=O)n(C2CCC2)cc1N 725249855 537907506 /nfs/dbraw/zinc/90/75/06/537907506.db2.gz LKXQPEDTILMESY-UHFFFAOYSA-N 0 0 178.235 1.464 10 0 ADAERN Cc1c(N)cnn1[C@H]1CCCOC1 725249488 537907523 /nfs/dbraw/zinc/90/75/23/537907523.db2.gz ZVZRTCDXHCBQNV-QMMMGPOBSA-N 0 0 181.239 1.125 10 0 ADAERN CCC(CC)Cn1ncc(N)n1 725249593 537907543 /nfs/dbraw/zinc/90/75/43/537907543.db2.gz BRUDEBBSKCSEIB-UHFFFAOYSA-N 0 0 168.244 1.297 10 0 ADAERN C[C@@H]1CCC[C@H](n2ncc(N)n2)C1 725249671 537907711 /nfs/dbraw/zinc/90/77/11/537907711.db2.gz HSDXYKYNAWMLME-SFYZADRCSA-N 0 0 180.255 1.612 10 0 ADAERN Cc1c(N)cnn1[C@@H]1CCSC1 725249391 537907769 /nfs/dbraw/zinc/90/77/69/537907769.db2.gz JFXJOAPPYURPHW-SSDOTTSWSA-N 0 0 183.280 1.452 10 0 ADAERN C[C@@H]1CCC[C@H](Cn2ncc(N)n2)C1 725249579 537907795 /nfs/dbraw/zinc/90/77/95/537907795.db2.gz BIVDCNVTZMIIPK-BDAKNGLRSA-N 0 0 194.282 1.687 10 0 ADAERN Cc1c(N)ccc(=O)n1CC(C)(C)F 725249857 537907805 /nfs/dbraw/zinc/90/78/05/537907805.db2.gz LNZVJFCYSCNVAO-UHFFFAOYSA-N 0 0 198.241 1.487 10 0 ADAERN C[C@@H]1CCC[C@@H](n2ncc(N)n2)C1 725249669 537907815 /nfs/dbraw/zinc/90/78/15/537907815.db2.gz HSDXYKYNAWMLME-HTQZYQBOSA-N 0 0 180.255 1.612 10 0 ADAERN CC(C)(C)CCOCn1ncc(N)n1 725249609 537907822 /nfs/dbraw/zinc/90/78/22/537907822.db2.gz CUXRIQCQANTTGW-UHFFFAOYSA-N 0 0 198.270 1.271 10 0 ADAERN CC1(C)C[C@@H]1CCCn1cnc(N)n1 725249849 537907914 /nfs/dbraw/zinc/90/79/14/537907914.db2.gz LDEVAYSSZHETQP-QMMMGPOBSA-N 0 0 194.282 1.687 10 0 ADAERN Nc1cnn(C2CCCCC2)n1 725249680 537907974 /nfs/dbraw/zinc/90/79/74/537907974.db2.gz IJHVULSFZWOQMM-UHFFFAOYSA-N 0 0 166.228 1.366 10 0 ADAERN CC(C)(F)Cn1cc(N)ccc1=O 725249704 537907996 /nfs/dbraw/zinc/90/79/96/537907996.db2.gz ANGXQYPQGPDNOA-UHFFFAOYSA-N 0 0 184.214 1.179 10 0 ADAERN COCC[C@@H](C)n1ncc(N)c1C 725249433 537908006 /nfs/dbraw/zinc/90/80/06/537908006.db2.gz IJWISSMBYDYMEE-SSDOTTSWSA-N 0 0 183.255 1.371 10 0 ADAERN CO[C@H]1CCC[C@@H]1n1ncc(N)c1C 725249484 537908089 /nfs/dbraw/zinc/90/80/89/537908089.db2.gz ZLDCVLGOITVGEV-UWVGGRQHSA-N 0 0 195.266 1.514 10 0 ADAERN CC1CC(Cn2ccc(=O)c(N)c2)C1 725249712 537908118 /nfs/dbraw/zinc/90/81/18/537908118.db2.gz BETYPNVFQQIVNV-UHFFFAOYSA-N 0 0 192.262 1.477 10 0 ADAERN CO[C@H]1CCC[C@H]1n1ncc(N)c1C 725249486 537908207 /nfs/dbraw/zinc/90/82/07/537908207.db2.gz ZLDCVLGOITVGEV-ZJUUUORDSA-N 0 0 195.266 1.514 10 0 ADAERN CCCCCCn1ncc(N)n1 725249636 537908224 /nfs/dbraw/zinc/90/82/24/537908224.db2.gz FXOACKKMTSRUJK-UHFFFAOYSA-N 0 0 168.244 1.441 10 0 ADAERN Cc1cc(=O)n(CC(C)(C)F)cc1N 725249830 537908253 /nfs/dbraw/zinc/90/82/53/537908253.db2.gz JVOPROFACXLXPF-UHFFFAOYSA-N 0 0 198.241 1.487 10 0 ADAERN CO[C@@H]1CCC[C@H]1n1ncc(N)c1C 725249483 537908294 /nfs/dbraw/zinc/90/82/94/537908294.db2.gz ZLDCVLGOITVGEV-NXEZZACHSA-N 0 0 195.266 1.514 10 0 ADAERN CO[C@@H]1CCC[C@@H]1n1ncc(N)c1C 725249485 537908312 /nfs/dbraw/zinc/90/83/12/537908312.db2.gz ZLDCVLGOITVGEV-VHSXEESVSA-N 0 0 195.266 1.514 10 0 ADAERN Nc1cnn(CCc2ccccc2)n1 725249613 537908319 /nfs/dbraw/zinc/90/83/19/537908319.db2.gz DDXRBBBTINHGLD-UHFFFAOYSA-N 0 0 188.234 1.103 10 0 ADAERN CC(C)C[C@@H](C)n1ncc(N)n1 725249775 537908343 /nfs/dbraw/zinc/90/83/43/537908343.db2.gz MKGHWQSSIVQIMJ-SSDOTTSWSA-N 0 0 168.244 1.467 10 0 ADAERN CCC1(Cn2ncc(N)n2)CCC1 725249682 537908393 /nfs/dbraw/zinc/90/83/93/537908393.db2.gz IXQBKZNIEYFSSJ-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN C[C@@H](Cn1ccc(N)n1)C1CC1 725249707 537908404 /nfs/dbraw/zinc/90/84/04/537908404.db2.gz ARXMJOBGOAPMGL-ZETCQYMHSA-N 0 0 165.240 1.511 10 0 ADAERN Nc1cnn(CCc2ccsc2)n1 725249804 537908439 /nfs/dbraw/zinc/90/84/39/537908439.db2.gz NPUNTNTTYWQBSB-UHFFFAOYSA-N 0 0 194.263 1.165 10 0 ADAERN COCC[C@H](C)n1ncc(N)c1C 725249434 537908520 /nfs/dbraw/zinc/90/85/20/537908520.db2.gz IJWISSMBYDYMEE-ZETCQYMHSA-N 0 0 183.255 1.371 10 0 ADAERN Nc1cnn(C2CCCCCC2)n1 725249550 537908501 /nfs/dbraw/zinc/90/85/01/537908501.db2.gz APBZXLQUGXZPCI-UHFFFAOYSA-N 0 0 180.255 1.756 10 0 ADAERN Nc1cnn(CCc2cccs2)n1 725249746 537908538 /nfs/dbraw/zinc/90/85/38/537908538.db2.gz LNBWBUXKXTWGLB-UHFFFAOYSA-N 0 0 194.263 1.165 10 0 ADAERN C[C@H]1CCC[C@@H](Cn2ncc(N)n2)C1 725249580 537908572 /nfs/dbraw/zinc/90/85/72/537908572.db2.gz BIVDCNVTZMIIPK-DTWKUNHWSA-N 0 0 194.282 1.687 10 0 ADAERN CC(C)(C)CCCn1ncc(N)n1 725249679 537908579 /nfs/dbraw/zinc/90/85/79/537908579.db2.gz IGLZTTRFEHEIMM-UHFFFAOYSA-N 0 0 182.271 1.687 10 0 ADAERN Cc1c(N)cnn1Cc1cscn1 725249762 537908604 /nfs/dbraw/zinc/90/86/04/537908604.db2.gz FROGNZZGOQWNJQ-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1cc(N)nn1C[C@@H](C)C1CC1 725249815 537908615 /nfs/dbraw/zinc/90/86/15/537908615.db2.gz HYELPLIHRSBZIU-SSDOTTSWSA-N 0 0 179.267 1.820 10 0 ADAERN Nc1ccc(=O)n([C@H]2CCSC2)c1 725249519 537908619 /nfs/dbraw/zinc/90/86/19/537908619.db2.gz POBSZXNMHRVJPD-QMMMGPOBSA-N 0 0 196.275 1.109 10 0 ADAERN C[C@H]1CCC[C@H](n2ncc(N)n2)C1 725249672 537908686 /nfs/dbraw/zinc/90/86/86/537908686.db2.gz HSDXYKYNAWMLME-YUMQZZPRSA-N 0 0 180.255 1.612 10 0 ADAERN CC(C)(F)Cn1cccc(N)c1=O 725249771 537908637 /nfs/dbraw/zinc/90/86/37/537908637.db2.gz GEFDODYKXAFPDA-UHFFFAOYSA-N 0 0 184.214 1.179 10 0 ADAERN Nc1cn(C2CCC2)ccc1=O 725249845 537908778 /nfs/dbraw/zinc/90/87/78/537908778.db2.gz KVSDPROGLHIPGR-UHFFFAOYSA-N 0 0 164.208 1.156 10 0 ADAERN Nc1cnn(Cc2cccc(F)c2)n1 725249751 537908809 /nfs/dbraw/zinc/90/88/09/537908809.db2.gz LTBXCAMLTHYBLV-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN Nc1ccc(=O)n(C2CCC2)c1 725249711 537908828 /nfs/dbraw/zinc/90/88/28/537908828.db2.gz BCMFQRROFJVCLW-UHFFFAOYSA-N 0 0 164.208 1.156 10 0 ADAERN Cc1cc(N)nn1C[C@H](C)C1CC1 725249817 537908840 /nfs/dbraw/zinc/90/88/40/537908840.db2.gz HYELPLIHRSBZIU-ZETCQYMHSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1c(N)cnn1[C@H]1CCSC1 725249392 537908875 /nfs/dbraw/zinc/90/88/75/537908875.db2.gz JFXJOAPPYURPHW-ZETCQYMHSA-N 0 0 183.280 1.452 10 0 ADAERN CC(C)C[C@@H](C)Cn1ncc(N)n1 725249639 537908868 /nfs/dbraw/zinc/90/88/68/537908868.db2.gz GFYDILMAFDMBEL-MRVPVSSYSA-N 0 0 182.271 1.543 10 0 ADAERN Cc1cnc(Cn2ccc(N)n2)s1 725249725 537908984 /nfs/dbraw/zinc/90/89/84/537908984.db2.gz DCHWQPPSJUVSFS-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C[C@H]1CCC[C@H](Cn2ncc(N)n2)C1 725249581 537908993 /nfs/dbraw/zinc/90/89/93/537908993.db2.gz BIVDCNVTZMIIPK-IUCAKERBSA-N 0 0 194.282 1.687 10 0 ADAERN CC(C)(C)CCn1ncc(N)n1 725249773 537909013 /nfs/dbraw/zinc/90/90/13/537909013.db2.gz MINRJHKYQNASPU-UHFFFAOYSA-N 0 0 168.244 1.297 10 0 ADAERN Nc1cnn(CC2CCCCC2)n1 725249643 537909056 /nfs/dbraw/zinc/90/90/56/537909056.db2.gz GNIDRKGNKNCROD-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN CC(C)(F)Cn1ccc(=O)c(N)c1 725249823 537909077 /nfs/dbraw/zinc/90/90/77/537909077.db2.gz ITOASSVYVRKYMC-UHFFFAOYSA-N 0 0 184.214 1.179 10 0 ADAERN CC(C)OC(C)(C)Cn1cc(N)cn1 725249776 537909101 /nfs/dbraw/zinc/90/91/01/537909101.db2.gz GKOQUFUBMSOGKT-UHFFFAOYSA-N 0 0 197.282 1.669 10 0 ADAERN Cc1c(N)cnn1[C@@H]1CCCOC1 725249487 537909260 /nfs/dbraw/zinc/90/92/60/537909260.db2.gz ZVZRTCDXHCBQNV-MRVPVSSYSA-N 0 0 181.239 1.125 10 0 ADAERN C[C@H](Cn1ccc(N)n1)C1CC1 725249706 537909284 /nfs/dbraw/zinc/90/92/84/537909284.db2.gz ARXMJOBGOAPMGL-SSDOTTSWSA-N 0 0 165.240 1.511 10 0 ADAERN CC(C)C[C@H](C)n1ncc(N)n1 725249777 537909308 /nfs/dbraw/zinc/90/93/08/537909308.db2.gz MKGHWQSSIVQIMJ-ZETCQYMHSA-N 0 0 168.244 1.467 10 0 ADAERN CC1(Cn2ncc(N)n2)CCC1 725249750 537909330 /nfs/dbraw/zinc/90/93/30/537909330.db2.gz LQOUGLTVTKSUEQ-UHFFFAOYSA-N 0 0 166.228 1.051 10 0 ADAERN Nc1cccn([C@H]2CCSC2)c1=O 725249544 537909464 /nfs/dbraw/zinc/90/94/64/537909464.db2.gz YDDQQCDKHGWOKC-ZETCQYMHSA-N 0 0 196.275 1.109 10 0 ADAERN Cc1cc(N)nn1CC(C)(C)F 725249740 537909478 /nfs/dbraw/zinc/90/94/78/537909478.db2.gz DYDWJVCRDADQIM-UHFFFAOYSA-N 0 0 171.219 1.522 10 0 ADAERN Nc1cccn([C@@H]2CCSC2)c1=O 725249543 537909582 /nfs/dbraw/zinc/90/95/82/537909582.db2.gz YDDQQCDKHGWOKC-SSDOTTSWSA-N 0 0 196.275 1.109 10 0 ADAERN Cc1cc(Cn2ncc(N)n2)cs1 725249625 537909595 /nfs/dbraw/zinc/90/95/95/537909595.db2.gz DXHCTTXLEZLSDU-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CCOC(=O)[C@H](CC)C(=O)C1CCC1 84888327 537909604 /nfs/dbraw/zinc/90/96/04/537909604.db2.gz RWHPLLGDEUVZSE-SECBINFHSA-N 0 0 198.262 1.945 10 0 ADAERN C[C@H]1CCC[C@@H](n2ncc(N)n2)C1 725249670 537909643 /nfs/dbraw/zinc/90/96/43/537909643.db2.gz HSDXYKYNAWMLME-JGVFFNPUSA-N 0 0 180.255 1.612 10 0 ADAERN C[C@@H]1CCC[C@H](C[C@@H](C[NH3+])C(=O)[O-])C1 84341338 537909756 /nfs/dbraw/zinc/90/97/56/537909756.db2.gz AHTBNPHCZBQWTE-UTLUCORTSA-N 0 0 199.294 1.862 10 0 ADAERN C[C@H](Cn1ccc(=O)c(N)c1)C1CC1 725250015 537913011 /nfs/dbraw/zinc/91/30/11/537913011.db2.gz QFNXBAWEHUJTHP-MRVPVSSYSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1cn(C[C@H](C)C2CC2)nc1N 725250100 537910315 /nfs/dbraw/zinc/91/03/15/537910315.db2.gz YDKJGWNWRQNHJI-ZETCQYMHSA-N 0 0 179.267 1.820 10 0 ADAERN C[C@H](Cn1ncc(N)n1)C1CCC1 725250238 537910330 /nfs/dbraw/zinc/91/03/30/537910330.db2.gz CMENXWYYWGEJFX-SSDOTTSWSA-N 0 0 180.255 1.297 10 0 ADAERN Nc1cnn(CCC2CCC2)n1 725250333 537910346 /nfs/dbraw/zinc/91/03/46/537910346.db2.gz HDUGGRPEBQOHIT-UHFFFAOYSA-N 0 0 166.228 1.051 10 0 ADAERN C[C@@H](CC(F)F)Cn1ncc(N)n1 725250260 537910350 /nfs/dbraw/zinc/91/03/50/537910350.db2.gz DLKLLXYEAJATOH-YFKPBYRVSA-N 0 0 190.197 1.152 10 0 ADAERN CCC[C@H](C)Cn1ncc(N)n1 725250146 537910371 /nfs/dbraw/zinc/91/03/71/537910371.db2.gz WHODGBJCXXJERN-ZETCQYMHSA-N 0 0 168.244 1.297 10 0 ADAERN CC1CCC(Cn2ncc(N)n2)CC1 725250168 537910417 /nfs/dbraw/zinc/91/04/17/537910417.db2.gz YXGRUXKVNJEKCZ-UHFFFAOYSA-N 0 0 194.282 1.687 10 0 ADAERN Cc1cn(CC(C)(C)F)nc1N 725250137 537910465 /nfs/dbraw/zinc/91/04/65/537910465.db2.gz ZSECECGVIOYGQG-UHFFFAOYSA-N 0 0 171.219 1.522 10 0 ADAERN Cc1nn(CC(C)(C)F)cc1N 725250084 537910491 /nfs/dbraw/zinc/91/04/91/537910491.db2.gz XCROVTWEQLDRRI-UHFFFAOYSA-N 0 0 171.219 1.522 10 0 ADAERN CC(C)OC(C)(C)Cn1cc(N)nn1 725250273 537910534 /nfs/dbraw/zinc/91/05/34/537910534.db2.gz DXAQPFQELBZEQQ-UHFFFAOYSA-N 0 0 198.270 1.064 10 0 ADAERN CCOC(=O)[C@@H](CC)C(=O)C1CCC1 84888325 537910563 /nfs/dbraw/zinc/91/05/63/537910563.db2.gz RWHPLLGDEUVZSE-VIFPVBQESA-N 0 0 198.262 1.945 10 0 ADAERN C[C@H](Cn1cccc(N)c1=O)C1CC1 725249982 537910590 /nfs/dbraw/zinc/91/05/90/537910590.db2.gz OXTIVBVELGNBOG-MRVPVSSYSA-N 0 0 192.262 1.477 10 0 ADAERN C[C@H](CC(F)F)Cn1ncc(N)n1 725250259 537910613 /nfs/dbraw/zinc/91/06/13/537910613.db2.gz DLKLLXYEAJATOH-RXMQYKEDSA-N 0 0 190.197 1.152 10 0 ADAERN CC(C)(C)CCOCn1cc(N)nn1 725250464 537910690 /nfs/dbraw/zinc/91/06/90/537910690.db2.gz GLCRQDSGNKROLA-UHFFFAOYSA-N 0 0 198.270 1.271 10 0 ADAERN Cc1cn(CC2CC(C)C2)nc1N 725250066 537910747 /nfs/dbraw/zinc/91/07/47/537910747.db2.gz WPINKQXIHZRLIW-UHFFFAOYSA-N 0 0 179.267 1.820 10 0 ADAERN CCC[C@@H](C)Cn1ncc(N)n1 725250145 537910755 /nfs/dbraw/zinc/91/07/55/537910755.db2.gz WHODGBJCXXJERN-SSDOTTSWSA-N 0 0 168.244 1.297 10 0 ADAERN Nc1cnn(CCCCCF)n1 725250134 537910774 /nfs/dbraw/zinc/91/07/74/537910774.db2.gz VYICFHRZSOFRMV-UHFFFAOYSA-N 0 0 172.207 1.000 10 0 ADAERN CN1CCC(=O)C12CCCCC2 84326979 537910790 /nfs/dbraw/zinc/91/07/90/537910790.db2.gz PPODCRMBTHPWOR-UHFFFAOYSA-N 0 0 167.252 1.594 10 0 ADAERN Cc1c(N)cnn1C[C@@H](C)C1CC1 725249945 537910803 /nfs/dbraw/zinc/91/08/03/537910803.db2.gz NVMYROPOHMPRKP-SSDOTTSWSA-N 0 0 179.267 1.820 10 0 ADAERN CCSCCCn1ncc(N)n1 725250159 537910828 /nfs/dbraw/zinc/91/08/28/537910828.db2.gz YGOVNRUHBBJWDF-UHFFFAOYSA-N 0 0 186.284 1.004 10 0 ADAERN Nc1cnn(CCCC(F)(F)F)n1 725249908 537910884 /nfs/dbraw/zinc/91/08/84/537910884.db2.gz QKIBKAZOBYITSW-UHFFFAOYSA-N 0 0 194.160 1.203 10 0 ADAERN Cc1nn(CC2CC(C)C2)cc1N 725250056 537911001 /nfs/dbraw/zinc/91/10/01/537911001.db2.gz WEZOTMIOXHMEMJ-UHFFFAOYSA-N 0 0 179.267 1.820 10 0 ADAERN Cc1nn(C[C@@H](C)C2CC2)cc1N 725250044 537911035 /nfs/dbraw/zinc/91/10/35/537911035.db2.gz VKQWCDABRSMGJD-SSDOTTSWSA-N 0 0 179.267 1.820 10 0 ADAERN C[C@@H](Cn1ncc(N)n1)C(C)(C)C 725250191 537911094 /nfs/dbraw/zinc/91/10/94/537911094.db2.gz AMYFJQGCYGHDGS-ZETCQYMHSA-N 0 0 182.271 1.543 10 0 ADAERN C[C@@H](Cn1ncc(N)n1)C1CCC1 725250239 537911149 /nfs/dbraw/zinc/91/11/49/537911149.db2.gz CMENXWYYWGEJFX-ZETCQYMHSA-N 0 0 180.255 1.297 10 0 ADAERN C[C@H]1C[C@@H](n2ncc(N)n2)CC[C@H]1C 725249896 537911223 /nfs/dbraw/zinc/91/12/23/537911223.db2.gz PXHLRWRCVWDPME-VGMNWLOBSA-N 0 0 194.282 1.858 10 0 ADAERN C[C@@H](Cn1ncc(N)n1)CC(C)(C)C 725250514 537911314 /nfs/dbraw/zinc/91/13/14/537911314.db2.gz KYJFKHFOZLMGEJ-MRVPVSSYSA-N 0 0 196.298 1.933 10 0 ADAERN CC(C)(CCn1ncc(N)n1)C1CC1 725250481 537911405 /nfs/dbraw/zinc/91/14/05/537911405.db2.gz KKQJEAWPTLGNDO-UHFFFAOYSA-N 0 0 194.282 1.687 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H](n2ncc(N)n2)C1 725250070 537911521 /nfs/dbraw/zinc/91/15/21/537911521.db2.gz UANNZOXBZFNGGA-BRPSZJMVSA-N 0 0 194.282 1.858 10 0 ADAERN C[C@@H](Cn1cccc(N)c1=O)C1CC1 725249985 537911531 /nfs/dbraw/zinc/91/15/31/537911531.db2.gz OXTIVBVELGNBOG-QMMMGPOBSA-N 0 0 192.262 1.477 10 0 ADAERN COC(=O)c1cc(N)cn1C1CCC1 725250027 537911542 /nfs/dbraw/zinc/91/15/42/537911542.db2.gz SSUSUEBWTURKEH-UHFFFAOYSA-N 0 0 194.234 1.582 10 0 ADAERN C[C@@H]1CCC[C@@H](C[C@@H](C[NH3+])C(=O)[O-])C1 84341341 537911550 /nfs/dbraw/zinc/91/15/50/537911550.db2.gz AHTBNPHCZBQWTE-BBBLOLIVSA-N 0 0 199.294 1.862 10 0 ADAERN C[C@@H](Cn1cc(N)ccc1=O)C1CC1 725249930 537911561 /nfs/dbraw/zinc/91/15/61/537911561.db2.gz NFSCAGMYBDXJMR-QMMMGPOBSA-N 0 0 192.262 1.477 10 0 ADAERN Cc1nn(C[C@H](C)C2CC2)cc1N 725250045 537911594 /nfs/dbraw/zinc/91/15/94/537911594.db2.gz VKQWCDABRSMGJD-ZETCQYMHSA-N 0 0 179.267 1.820 10 0 ADAERN CCC(CC)OCn1ncc(N)n1 725250156 537911639 /nfs/dbraw/zinc/91/16/39/537911639.db2.gz XRLOXLPVEVYJGV-UHFFFAOYSA-N 0 0 184.243 1.023 10 0 ADAERN Cc1cn(Cc2cscn2)nc1N 725250024 537911789 /nfs/dbraw/zinc/91/17/89/537911789.db2.gz SCGBREGSSWQNRZ-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C[C@H](Cn1cc(N)ccc1=O)C1CC1 725249927 537911805 /nfs/dbraw/zinc/91/18/05/537911805.db2.gz NFSCAGMYBDXJMR-MRVPVSSYSA-N 0 0 192.262 1.477 10 0 ADAERN C[C@H]1C[C@H](n2ncc(N)n2)CC[C@H]1C 725249894 537911826 /nfs/dbraw/zinc/91/18/26/537911826.db2.gz PXHLRWRCVWDPME-HRDYMLBCSA-N 0 0 194.282 1.858 10 0 ADAERN CC(C)C(C)(C)Cn1ncc(N)n1 725250462 537911839 /nfs/dbraw/zinc/91/18/39/537911839.db2.gz JEWYTNQMLOWURG-UHFFFAOYSA-N 0 0 182.271 1.543 10 0 ADAERN CC1CCC(n2ncc(N)n2)CC1 725250151 537911943 /nfs/dbraw/zinc/91/19/43/537911943.db2.gz WRDCJWRGEPHVGZ-UHFFFAOYSA-N 0 0 180.255 1.612 10 0 ADAERN Nc1cnn(CCCC2CCC2)n1 725250558 537911966 /nfs/dbraw/zinc/91/19/66/537911966.db2.gz LTOOTODZKOQNMD-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN CC1CC(Cn2cccc(N)c2=O)C1 725249922 537912011 /nfs/dbraw/zinc/91/20/11/537912011.db2.gz MUNISSDIICSRQU-UHFFFAOYSA-N 0 0 192.262 1.477 10 0 ADAERN Nc1cnn(CCC2CCCCC2)n1 725250078 537912016 /nfs/dbraw/zinc/91/20/16/537912016.db2.gz UJLWDIZVABWPPQ-UHFFFAOYSA-N 0 0 194.282 1.831 10 0 ADAERN Cc1nn(CC(C)(C)F)c(C)c1N 725250117 537912030 /nfs/dbraw/zinc/91/20/30/537912030.db2.gz YXLIUUTUYXWCPG-UHFFFAOYSA-N 0 0 185.246 1.830 10 0 ADAERN C[C@H](Cn1ncc(N)n1)CC(C)(C)C 725250516 537912108 /nfs/dbraw/zinc/91/21/08/537912108.db2.gz KYJFKHFOZLMGEJ-QMMMGPOBSA-N 0 0 196.298 1.933 10 0 ADAERN Nc1cnn(CC[C@@H]2C[C@H]2C2CC2)n1 725250822 537916188 /nfs/dbraw/zinc/91/61/88/537916188.db2.gz SKSPPQUSUVZIPC-BDAKNGLRSA-N 0 0 192.266 1.297 10 0 ADAERN CC1(C)CC(Cn2ncc(N)n2)C1 725250196 537912188 /nfs/dbraw/zinc/91/21/88/537912188.db2.gz AUUZXGXLVYTNRS-UHFFFAOYSA-N 0 0 180.255 1.297 10 0 ADAERN CC(=O)SCc1cc[nH]n1 725250541 537912198 /nfs/dbraw/zinc/91/21/98/537912198.db2.gz IIIOIORUJMAALX-UHFFFAOYSA-N 0 0 156.210 1.189 10 0 ADAERN CC1(Cn2ncc(N)n2)CCCC1 725249903 537912221 /nfs/dbraw/zinc/91/22/21/537912221.db2.gz QHNIUOQVMRSADI-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN Cc1cnc(Cn2cc(N)cn2)s1 725250023 537912271 /nfs/dbraw/zinc/91/22/71/537912271.db2.gz SARRXDHBICRQBS-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CC(C)OC(C)(C)Cn1cnc(N)n1 725249943 537912284 /nfs/dbraw/zinc/91/22/84/537912284.db2.gz NUBHVZGFFXPBOH-UHFFFAOYSA-N 0 0 198.270 1.064 10 0 ADAERN C[C@@H]1CC[C@H](n2ncc(N)n2)C[C@H]1C 725249893 537912296 /nfs/dbraw/zinc/91/22/96/537912296.db2.gz PXHLRWRCVWDPME-HLTSFMKQSA-N 0 0 194.282 1.858 10 0 ADAERN C[C@@H](Cn1cc(N)cn1)C1CC1 725249942 537912446 /nfs/dbraw/zinc/91/24/46/537912446.db2.gz NTEODMXXZRODRO-ZETCQYMHSA-N 0 0 165.240 1.511 10 0 ADAERN CC(C)SCCn1ncc(N)n1 725249898 537912508 /nfs/dbraw/zinc/91/25/08/537912508.db2.gz PZCSAVMYLNZJEJ-UHFFFAOYSA-N 0 0 186.284 1.002 10 0 ADAERN Nc1cnn(C[C@@H]2CC[C@H]3C[C@H]3C2)n1 725250203 537912570 /nfs/dbraw/zinc/91/25/70/537912570.db2.gz BAEODMWPKYHNHU-HRDYMLBCSA-N 0 0 192.266 1.297 10 0 ADAERN Nc1cnn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 725250202 537912602 /nfs/dbraw/zinc/91/26/02/537912602.db2.gz BAEODMWPKYHNHU-HLTSFMKQSA-N 0 0 192.266 1.297 10 0 ADAERN C[C@H](Cn1ncc(N)n1)C(C)(C)C 725250190 537912709 /nfs/dbraw/zinc/91/27/09/537912709.db2.gz AMYFJQGCYGHDGS-SSDOTTSWSA-N 0 0 182.271 1.543 10 0 ADAERN C[C@H](Cn1cc(N)cn1)C1CC1 725249939 537912748 /nfs/dbraw/zinc/91/27/48/537912748.db2.gz NTEODMXXZRODRO-SSDOTTSWSA-N 0 0 165.240 1.511 10 0 ADAERN C[C@@H]1CC(n2ncc(N)n2)C[C@@H](C)C1 725250073 537912757 /nfs/dbraw/zinc/91/27/57/537912757.db2.gz UANNZOXBZFNGGA-YUMQZZPRSA-N 0 0 194.282 1.858 10 0 ADAERN Cc1cn(C[C@@H](C)C2CC2)nc1N 725250098 537912808 /nfs/dbraw/zinc/91/28/08/537912808.db2.gz YDKJGWNWRQNHJI-SSDOTTSWSA-N 0 0 179.267 1.820 10 0 ADAERN C[C@H]1CC(n2ncc(N)n2)C[C@H](C)C1 725250072 537912895 /nfs/dbraw/zinc/91/28/95/537912895.db2.gz UANNZOXBZFNGGA-HTQZYQBOSA-N 0 0 194.282 1.858 10 0 ADAERN Nc1cnn(CC2CCCC2)n1 725250153 537912904 /nfs/dbraw/zinc/91/29/04/537912904.db2.gz XELUZMVFGLNVII-UHFFFAOYSA-N 0 0 166.228 1.051 10 0 ADAERN Cc1c(N)cnn1CC1CC(C)C1 725250009 537912921 /nfs/dbraw/zinc/91/29/21/537912921.db2.gz PYTFPTCGMGIRKI-UHFFFAOYSA-N 0 0 179.267 1.820 10 0 ADAERN CC1(CCCn2cnc(N)n2)CC1 725250055 537912934 /nfs/dbraw/zinc/91/29/34/537912934.db2.gz WEAHLKDRTMMCQY-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN Cc1c(N)cnn1CC(C)(C)F 725250025 537912946 /nfs/dbraw/zinc/91/29/46/537912946.db2.gz SCNWRWRILSOGBR-UHFFFAOYSA-N 0 0 171.219 1.522 10 0 ADAERN Cc1c(N)cnn1C[C@H](C)C1CC1 725249948 537912953 /nfs/dbraw/zinc/91/29/53/537912953.db2.gz NVMYROPOHMPRKP-ZETCQYMHSA-N 0 0 179.267 1.820 10 0 ADAERN C[C@@H]1CC[C@@H](n2ncc(N)n2)C[C@H]1C 725249895 537913003 /nfs/dbraw/zinc/91/30/03/537913003.db2.gz PXHLRWRCVWDPME-IWSPIJDZSA-N 0 0 194.282 1.858 10 0 ADAERN CC(C)(F)Cn1cc(Cl)c(N)n1 725250131 537913066 /nfs/dbraw/zinc/91/30/66/537913066.db2.gz ZPAKQCGEHWGHNT-UHFFFAOYSA-N 0 0 191.637 1.867 10 0 ADAERN C[C@@H](Cn1ccc(=O)c(N)c1)C1CC1 725250016 537913078 /nfs/dbraw/zinc/91/30/78/537913078.db2.gz QFNXBAWEHUJTHP-QMMMGPOBSA-N 0 0 192.262 1.477 10 0 ADAERN Nc1cnn(C[C@H]2Cc3ccccc32)c1 85574432 537913469 /nfs/dbraw/zinc/91/34/69/537913469.db2.gz RXIWFWNMCITXAI-SNVBAGLBSA-N 0 0 199.257 1.805 10 0 ADAERN CC(F)(F)CCCn1ncc(N)n1 725250795 537913624 /nfs/dbraw/zinc/91/36/24/537913624.db2.gz RRYVYSWRTXZPPO-UHFFFAOYSA-N 0 0 190.197 1.296 10 0 ADAERN Nc1ccn(C[C@H]2Cc3ccccc32)n1 85574437 537913657 /nfs/dbraw/zinc/91/36/57/537913657.db2.gz RUYRCHQIEGRWJH-SNVBAGLBSA-N 0 0 199.257 1.805 10 0 ADAERN CC(C)OCCOc1ccc(C=O)o1 85873802 537913723 /nfs/dbraw/zinc/91/37/23/537913723.db2.gz WBVQRGRERQNLNJ-UHFFFAOYSA-N 0 0 198.218 1.896 10 0 ADAERN CC[C@H](C)[C@H](C)n1ncc(N)n1 725250788 537913815 /nfs/dbraw/zinc/91/38/15/537913815.db2.gz ROVWZOHVJGIGKJ-BQBZGAKWSA-N 0 0 168.244 1.467 10 0 ADAERN Nc1cnn(CC[C@@H]2C[C@@H]2C2CC2)n1 725250829 537913824 /nfs/dbraw/zinc/91/38/24/537913824.db2.gz SKSPPQUSUVZIPC-RKDXNWHRSA-N 0 0 192.266 1.297 10 0 ADAERN CC1(C)C[C@H]1CCCn1cc(N)nn1 725250681 537913834 /nfs/dbraw/zinc/91/38/34/537913834.db2.gz OIKGRYIYDJHNMA-MRVPVSSYSA-N 0 0 194.282 1.687 10 0 ADAERN CC1(C)C[C@@H]1CCCn1ncc(N)n1 725250837 537913851 /nfs/dbraw/zinc/91/38/51/537913851.db2.gz TWAOAYDBGAWXTL-QMMMGPOBSA-N 0 0 194.282 1.687 10 0 ADAERN C[C@@H]1CCCC[C@H]1n1ncc(N)n1 725251173 537913952 /nfs/dbraw/zinc/91/39/52/537913952.db2.gz YJAGUZXMOYZYHY-HTQZYQBOSA-N 0 0 180.255 1.612 10 0 ADAERN Nc1cnn(C[C@@H]2Cc3ccccc32)c1 85574435 537913978 /nfs/dbraw/zinc/91/39/78/537913978.db2.gz RXIWFWNMCITXAI-JTQLQIEISA-N 0 0 199.257 1.805 10 0 ADAERN CC1(CCCn2ncc(N)n2)CC1 725250634 537914003 /nfs/dbraw/zinc/91/40/03/537914003.db2.gz NCFSQLGRQYIZOK-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN Nc1cnn(CCCC2CC2)n1 725250838 537914242 /nfs/dbraw/zinc/91/42/42/537914242.db2.gz TXHGUFXPPFRMSQ-UHFFFAOYSA-N 0 0 166.228 1.051 10 0 ADAERN CC1(C)C[C@H]1CCCn1ncc(N)n1 725250836 537914337 /nfs/dbraw/zinc/91/43/37/537914337.db2.gz TWAOAYDBGAWXTL-MRVPVSSYSA-N 0 0 194.282 1.687 10 0 ADAERN CCC(CC)OCn1cc(N)nn1 725250614 537914548 /nfs/dbraw/zinc/91/45/48/537914548.db2.gz JYJACDKTCSTDNV-UHFFFAOYSA-N 0 0 184.243 1.023 10 0 ADAERN CC1(C)C[C@@H]1CCCn1cc(N)nn1 725250682 537914585 /nfs/dbraw/zinc/91/45/85/537914585.db2.gz OIKGRYIYDJHNMA-QMMMGPOBSA-N 0 0 194.282 1.687 10 0 ADAERN CC1(Cn2ncc(N)n2)CCCCC1 725251151 537914596 /nfs/dbraw/zinc/91/45/96/537914596.db2.gz XPRCFIGCOPRQSG-UHFFFAOYSA-N 0 0 194.282 1.831 10 0 ADAERN CCC(C)(C)CCn1ncc(N)n1 725251088 537914634 /nfs/dbraw/zinc/91/46/34/537914634.db2.gz WYUUZXNXXOYTSW-UHFFFAOYSA-N 0 0 182.271 1.687 10 0 ADAERN Nc1cnn(CCC(F)(F)Cl)n1 725251212 537914699 /nfs/dbraw/zinc/91/46/99/537914699.db2.gz YJWKKXIDGVGTRH-UHFFFAOYSA-N 0 0 196.588 1.082 10 0 ADAERN CC1(CCCn2cc(N)nn2)CC1 725250611 537914745 /nfs/dbraw/zinc/91/47/45/537914745.db2.gz MSVBQTRIZYTBOI-UHFFFAOYSA-N 0 0 180.255 1.441 10 0 ADAERN CC(C)OC(C)(C)Cn1ncc(N)n1 725251015 537914921 /nfs/dbraw/zinc/91/49/21/537914921.db2.gz VXUWSBCZXSYNSA-UHFFFAOYSA-N 0 0 198.270 1.064 10 0 ADAERN CC(C)=CCCn1ncc(N)n1 725250808 537914986 /nfs/dbraw/zinc/91/49/86/537914986.db2.gz SBDNHNOCWBTRSK-UHFFFAOYSA-N 0 0 166.228 1.217 10 0 ADAERN Nc1ccn(C[C@@H]2Cc3ccccc32)n1 85574440 537914989 /nfs/dbraw/zinc/91/49/89/537914989.db2.gz RUYRCHQIEGRWJH-JTQLQIEISA-N 0 0 199.257 1.805 10 0 ADAERN C[C@H](c1ccccc1)n1cc(N)nn1 725250707 537915110 /nfs/dbraw/zinc/91/51/10/537915110.db2.gz LBYXCEVTIMOTCP-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN CC[C@@H](C)[C@H](C)n1ncc(N)n1 725250792 537915126 /nfs/dbraw/zinc/91/51/26/537915126.db2.gz ROVWZOHVJGIGKJ-RQJHMYQMSA-N 0 0 168.244 1.467 10 0 ADAERN CC[C@H](C)[C@@H](C)n1ncc(N)n1 725250790 537915137 /nfs/dbraw/zinc/91/51/37/537915137.db2.gz ROVWZOHVJGIGKJ-NKWVEPMBSA-N 0 0 168.244 1.467 10 0 ADAERN Nc1cnn(CC[C@H]2C[C@@H]2C2CC2)n1 725250823 537915285 /nfs/dbraw/zinc/91/52/85/537915285.db2.gz SKSPPQUSUVZIPC-DTWKUNHWSA-N 0 0 192.266 1.297 10 0 ADAERN CC[C@@H](C)[C@@H](C)n1ncc(N)n1 725250791 537915353 /nfs/dbraw/zinc/91/53/53/537915353.db2.gz ROVWZOHVJGIGKJ-RNFRBKRXSA-N 0 0 168.244 1.467 10 0 ADAERN Nc1cnn(CC[C@H]2C[C@H]2C2CC2)n1 725250828 537915361 /nfs/dbraw/zinc/91/53/61/537915361.db2.gz SKSPPQUSUVZIPC-IUCAKERBSA-N 0 0 192.266 1.297 10 0 ADAERN CCC(C)(C)Cn1ncc(N)n1 725250697 537915446 /nfs/dbraw/zinc/91/54/46/537915446.db2.gz ORRMSGZZNGKDFE-UHFFFAOYSA-N 0 0 168.244 1.297 10 0 ADAERN CC1(Cn2cc(N)nn2)CCCCC1 725250981 537915541 /nfs/dbraw/zinc/91/55/41/537915541.db2.gz VMIWYQUUKFCWBF-UHFFFAOYSA-N 0 0 194.282 1.831 10 0 ADAERN CC(C)=C(C)CCn1ncc(N)n1 725250668 537915510 /nfs/dbraw/zinc/91/55/10/537915510.db2.gz NYJGARYAMUJHKP-UHFFFAOYSA-N 0 0 180.255 1.607 10 0 ADAERN C[C@@H](c1ccccc1)n1cc(N)nn1 725250709 537915565 /nfs/dbraw/zinc/91/55/65/537915565.db2.gz LBYXCEVTIMOTCP-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN CCOCCOc1ccc(C=O)o1 85873733 537915710 /nfs/dbraw/zinc/91/57/10/537915710.db2.gz YSSBDADCQMQDLH-UHFFFAOYSA-N 0 0 184.191 1.507 10 0 ADAERN C[C@@H]1CCCC[C@@H]1n1ncc(N)n1 725251209 537915815 /nfs/dbraw/zinc/91/58/15/537915815.db2.gz YJAGUZXMOYZYHY-SFYZADRCSA-N 0 0 180.255 1.612 10 0 ADAERN C[C@H]1CCCC[C@@H]1n1ncc(N)n1 725251210 537915847 /nfs/dbraw/zinc/91/58/47/537915847.db2.gz YJAGUZXMOYZYHY-YUMQZZPRSA-N 0 0 180.255 1.612 10 0 ADAERN C[C@H]1CCCC[C@H]1n1ncc(N)n1 725251175 537916082 /nfs/dbraw/zinc/91/60/82/537916082.db2.gz YJAGUZXMOYZYHY-JGVFFNPUSA-N 0 0 180.255 1.612 10 0 ADAERN Nc1cn(COC2CCCCC2)nn1 725250664 537916103 /nfs/dbraw/zinc/91/61/03/537916103.db2.gz KWMAEGCUIZJQRB-UHFFFAOYSA-N 0 0 196.254 1.167 10 0 ADAERN C[C@](N)(c1ncccn1)C(F)(F)F 725254764 537916967 /nfs/dbraw/zinc/91/69/67/537916967.db2.gz ATEYRLABEUEBAG-LURJTMIESA-N 0 0 191.156 1.213 10 0 ADAERN C[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])CC[N@@H+]2C1 725254180 537917000 /nfs/dbraw/zinc/91/70/00/537917000.db2.gz QTNBPYIDOKPVKU-VGMNWLOBSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])CC[N@@H+]2C1 725254179 537917147 /nfs/dbraw/zinc/91/71/47/537917147.db2.gz QTNBPYIDOKPVKU-IWSPIJDZSA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)(C)OC[C@H](N)c1ncccn1 725254878 537917198 /nfs/dbraw/zinc/91/71/98/537917198.db2.gz IDUDZHWZOZOHEG-QMMMGPOBSA-N 0 0 195.266 1.292 10 0 ADAERN CC1CC(C[C@@H](O)c2cn[nH]c2)C1 725253844 537917226 /nfs/dbraw/zinc/91/72/26/537917226.db2.gz LZXGQJCRMNISEE-SFVIPPHHSA-N 0 0 180.251 1.879 10 0 ADAERN Cc1nc(N)ncc1OC(C)C 725255403 537917234 /nfs/dbraw/zinc/91/72/34/537917234.db2.gz PJVBGVNQLJFAHA-UHFFFAOYSA-N 0 0 167.212 1.154 10 0 ADAERN Clc1cnn(-c2cocn2)c1 725253282 537917253 /nfs/dbraw/zinc/91/72/53/537917253.db2.gz AHGDVYRDKBEQBW-UHFFFAOYSA-N 0 0 169.571 1.514 10 0 ADAERN O[C@@H](Cc1cscn1)c1cn[nH]c1 725253962 537917353 /nfs/dbraw/zinc/91/73/53/537917353.db2.gz UPLLEJOEJIJOHV-QMMMGPOBSA-N 0 0 195.247 1.142 10 0 ADAERN O[C@H](Cc1cscn1)c1cn[nH]c1 725253961 537917404 /nfs/dbraw/zinc/91/74/04/537917404.db2.gz UPLLEJOEJIJOHV-MRVPVSSYSA-N 0 0 195.247 1.142 10 0 ADAERN CC1(C)C[C@@H]1CCCS(N)(=O)=O 725254669 537917438 /nfs/dbraw/zinc/91/74/38/537917438.db2.gz ONBJOVGIMFQHOG-ZETCQYMHSA-N 0 0 191.296 1.101 10 0 ADAERN C=Cc1cnc2cnn(C)c2c1 725253741 537917522 /nfs/dbraw/zinc/91/75/22/537917522.db2.gz WSJJUYPSWYUKCM-UHFFFAOYSA-N 0 0 159.192 1.611 10 0 ADAERN CC[NH+]1CCC(Cl)(C(=O)[O-])CC1 725255184 537917803 /nfs/dbraw/zinc/91/78/03/537917803.db2.gz DIDCYGSQJAXEMB-UHFFFAOYSA-N 0 0 191.658 1.164 10 0 ADAERN Cn1ncc2ncc(F)cc21 725253593 537917901 /nfs/dbraw/zinc/91/79/01/537917901.db2.gz SRQKYFLPFWYSLR-UHFFFAOYSA-N 0 0 151.144 1.107 10 0 ADAERN Cc1csc([C@H](O)c2cn[nH]c2)n1 725253941 537918007 /nfs/dbraw/zinc/91/80/07/537918007.db2.gz SSHDQORDIGDLKW-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN CC1CC(C[C@H](O)c2cn[nH]c2)C1 725253843 537918018 /nfs/dbraw/zinc/91/80/18/537918018.db2.gz LZXGQJCRMNISEE-KTOWXAHTSA-N 0 0 180.251 1.879 10 0 ADAERN Cn1cnc(-n2cc(Cl)cn2)c1 725253569 537918062 /nfs/dbraw/zinc/91/80/62/537918062.db2.gz RUXUVIFOBAUFDJ-UHFFFAOYSA-N 0 0 182.614 1.259 10 0 ADAERN O[C@@H](Cc1ccns1)c1cn[nH]c1 725253658 537918217 /nfs/dbraw/zinc/91/82/17/537918217.db2.gz CQDITPFRXJYKAS-QMMMGPOBSA-N 0 0 195.247 1.142 10 0 ADAERN CC[C@H](C(=O)C1CC1)C(=O)[C@@H](C)OC 725256865 537923307 /nfs/dbraw/zinc/92/33/07/537923307.db2.gz AOSDPJBEIFMFEO-APPZFPTMSA-N 0 0 198.262 1.596 10 0 ADAERN C[C@@H]1C[C@H]2C[C@H](C(=O)[O-])CC[N@@H+]2C1 725254177 537918403 /nfs/dbraw/zinc/91/84/03/537918403.db2.gz QTNBPYIDOKPVKU-HLTSFMKQSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])CC[N@@H+]2C1 725254178 537918471 /nfs/dbraw/zinc/91/84/71/537918471.db2.gz QTNBPYIDOKPVKU-HRDYMLBCSA-N 0 0 183.251 1.191 10 0 ADAERN COc1cnc(N)nc1CC(C)(C)C 725255154 537918660 /nfs/dbraw/zinc/91/86/60/537918660.db2.gz BBWQXMKHMIKTQA-UHFFFAOYSA-N 0 0 195.266 1.656 10 0 ADAERN Nc1ccc([C@]2(CO)C[C@H](F)C2)cc1 725259024 537927089 /nfs/dbraw/zinc/92/70/89/537927089.db2.gz BPNWBRXUVCDUBB-JGZJWPJOSA-N 0 0 195.237 1.631 10 0 ADAERN CC(=O)c1cnn(-c2cocn2)c1 725253822 537918768 /nfs/dbraw/zinc/91/87/68/537918768.db2.gz ZPOUZCMCCNRRMF-UHFFFAOYSA-N 0 0 177.163 1.063 10 0 ADAERN CC(=O)c1cnn(-c2cscn2)c1 725253490 537919014 /nfs/dbraw/zinc/91/90/14/537919014.db2.gz MXXKNEXDVMKLNS-UHFFFAOYSA-N 0 0 193.231 1.531 10 0 ADAERN Cc1ccc(C[C@H](O)c2cn[nH]c2)o1 725253771 537919195 /nfs/dbraw/zinc/91/91/95/537919195.db2.gz KZKHOXBFXUESER-JTQLQIEISA-N 0 0 192.218 1.587 10 0 ADAERN O[C@H](Cc1ccns1)c1cn[nH]c1 725253649 537919206 /nfs/dbraw/zinc/91/92/06/537919206.db2.gz CQDITPFRXJYKAS-MRVPVSSYSA-N 0 0 195.247 1.142 10 0 ADAERN CO[C@H](C)C(=O)C=C(O)[C@H]1C[C@H]1C 725257855 537923102 /nfs/dbraw/zinc/92/31/02/537923102.db2.gz YYQSWLRPWVTFRV-PRJMDXOYSA-N 0 0 184.235 1.206 10 0 ADAERN CO[C@H](C)C(=O)C(C)=C(O)C1CC1 725256963 537923220 /nfs/dbraw/zinc/92/32/20/537923220.db2.gz CECDEMDYWSCJCJ-RNFRBKRXSA-N 0 0 184.235 1.206 10 0 ADAERN Clc1cnn(-c2cscn2)c1 725253320 537919755 /nfs/dbraw/zinc/91/97/55/537919755.db2.gz DUVUORLTSLFXRX-UHFFFAOYSA-N 0 0 185.639 1.982 10 0 ADAERN CC1(C)C[C@H]1CCCS(N)(=O)=O 725254668 537919851 /nfs/dbraw/zinc/91/98/51/537919851.db2.gz ONBJOVGIMFQHOG-SSDOTTSWSA-N 0 0 191.296 1.101 10 0 ADAERN C[C@@](N)(c1ncccn1)C(F)(F)F 725254765 537919871 /nfs/dbraw/zinc/91/98/71/537919871.db2.gz ATEYRLABEUEBAG-ZCFIWIBFSA-N 0 0 191.156 1.213 10 0 ADAERN CCC(O)(CC)COCCOC 725255355 537919920 /nfs/dbraw/zinc/91/99/20/537919920.db2.gz ODIDHEZYYHHBPT-UHFFFAOYSA-N 0 0 176.256 1.201 10 0 ADAERN Cc1csc([C@@H](O)c2cn[nH]c2)n1 725253942 537919939 /nfs/dbraw/zinc/91/99/39/537919939.db2.gz SSHDQORDIGDLKW-ZETCQYMHSA-N 0 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PVIZXZSQSRCAET-UHFFFAOYSA-N 0 0 171.240 1.369 10 0 ADAERN CCC[C@H](C)c1n[nH]cc1N 725261066 537926381 /nfs/dbraw/zinc/92/63/81/537926381.db2.gz JLXUSNNWQJUMGV-LURJTMIESA-N 0 0 153.229 1.896 10 0 ADAERN CC(C)C[NH2+]CC(F)(F)CC(=O)[O-] 725259490 537926412 /nfs/dbraw/zinc/92/64/12/537926412.db2.gz CJRMVXRKFQPXCJ-UHFFFAOYSA-N 0 0 195.209 1.342 10 0 ADAERN CCC(C)(C)Cc1n[nH]cc1CO 725261171 537926447 /nfs/dbraw/zinc/92/64/47/537926447.db2.gz RVBLUKUFQLXROZ-UHFFFAOYSA-N 0 0 182.267 1.881 10 0 ADAERN CC(C)(C)[NH2+]CC(F)(F)CC(=O)[O-] 725259975 537926459 /nfs/dbraw/zinc/92/64/59/537926459.db2.gz MAYAPXJWSMRSTN-UHFFFAOYSA-N 0 0 195.209 1.485 10 0 ADAERN CCC(C)(C)Cc1n[nH]cc1N 725261073 537926501 /nfs/dbraw/zinc/92/65/01/537926501.db2.gz KRWZMNTWHBJFFN-UHFFFAOYSA-N 0 0 167.256 1.971 10 0 ADAERN Nc1cccc([C@]2(CO)C[C@H](F)C2)c1 725260915 537926511 /nfs/dbraw/zinc/92/65/11/537926511.db2.gz ZHDLUWHPBLWOTM-JGZJWPJOSA-N 0 0 195.237 1.631 10 0 ADAERN O=C(C=C(O)[C@@H]1CCOC1)C1CCC1 725258400 537926538 /nfs/dbraw/zinc/92/65/38/537926538.db2.gz NXLFOVHGYHBMMA-SECBINFHSA-N 0 0 196.246 1.351 10 0 ADAERN Nc1c(F)cccc1-c1ncc[nH]1 725261005 537926837 /nfs/dbraw/zinc/92/68/37/537926837.db2.gz FAMVXKAQMZKHEY-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN COc1ccc(N)c(-c2ncc[nH]2)c1 725261174 537926856 /nfs/dbraw/zinc/92/68/56/537926856.db2.gz SFCOPQIKILOLPM-UHFFFAOYSA-N 0 0 189.218 1.668 10 0 ADAERN Cc1c[nH]c2nccc(NN)c12 725259400 537926891 /nfs/dbraw/zinc/92/68/91/537926891.db2.gz AGIREFBJRKTBEB-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN Cc1ccnc(N)c1-c1ncc[nH]1 725261185 537926904 /nfs/dbraw/zinc/92/69/04/537926904.db2.gz TYCDOLAYOQKIKX-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CC(C)c1nn2c(c1N)NCCC2 725259445 537926929 /nfs/dbraw/zinc/92/69/29/537926929.db2.gz XWQOEUXNRXKLTF-UHFFFAOYSA-N 0 0 180.255 1.404 10 0 ADAERN OCc1ccc2c(c1)NCC1(CC1)O2 725260860 537927115 /nfs/dbraw/zinc/92/71/15/537927115.db2.gz YFGUVWNQVGRIEU-UHFFFAOYSA-N 0 0 191.230 1.516 10 0 ADAERN COC(C)(C)C(=O)C=C(O)C1CCC1 725258440 537927140 /nfs/dbraw/zinc/92/71/40/537927140.db2.gz ZHMSPUNJASCIQT-UHFFFAOYSA-N 0 0 198.262 1.740 10 0 ADAERN O=C([O-])CC(F)(F)C[NH2+]C1CCC1 725259954 537927185 /nfs/dbraw/zinc/92/71/85/537927185.db2.gz LMDRRDDTQAAVRA-UHFFFAOYSA-N 0 0 193.193 1.239 10 0 ADAERN CC(C)(C)c1n[nH]cc1CO 725261006 537927282 /nfs/dbraw/zinc/92/72/82/537927282.db2.gz FDJWZHINCNWTPZ-UHFFFAOYSA-N 0 0 154.213 1.200 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)C=C(O)C1CCC1 725258409 537927344 /nfs/dbraw/zinc/92/73/44/537927344.db2.gz RADPPTPLRWIAFJ-APPZFPTMSA-N 0 0 180.247 1.971 10 0 ADAERN CCOC(=O)[C@@H]1NC[C@@H](C)C[C@H]1C 725261813 537927973 /nfs/dbraw/zinc/92/79/73/537927973.db2.gz IYSYIDJAIDPLJA-DJLDLDEBSA-N 0 0 185.267 1.184 10 0 ADAERN CCCCCn1cc(N)c(C)cc1=O 86237603 537928409 /nfs/dbraw/zinc/92/84/09/537928409.db2.gz YTJYPMWOCCPMFK-UHFFFAOYSA-N 0 0 194.278 1.929 10 0 ADAERN CCc1coc2nc(C)nc(N)c12 725261848 537929714 /nfs/dbraw/zinc/92/97/14/537929714.db2.gz KGMPIGQCRGRCOI-UHFFFAOYSA-N 0 0 177.207 1.676 10 0 ADAERN CCOC(=O)[C@@H]1NC[C@H](C)C[C@H]1C 725261815 537929737 /nfs/dbraw/zinc/92/97/37/537929737.db2.gz IYSYIDJAIDPLJA-IWSPIJDZSA-N 0 0 185.267 1.184 10 0 ADAERN C=Cc1cccc2ccnn12 725261966 537929826 /nfs/dbraw/zinc/92/98/26/537929826.db2.gz OOUHUKKBYVDHKM-UHFFFAOYSA-N 0 0 144.177 1.977 10 0 ADAERN CCOC(=O)[C@@H]1NC[C@H](C)C[C@@H]1C 725261814 537929847 /nfs/dbraw/zinc/92/98/47/537929847.db2.gz IYSYIDJAIDPLJA-HRDYMLBCSA-N 0 0 185.267 1.184 10 0 ADAERN CCc1nc(N)c2c(CC)coc2n1 725262033 537930043 /nfs/dbraw/zinc/93/00/43/537930043.db2.gz SFNWEYVCNMIBPN-UHFFFAOYSA-N 0 0 191.234 1.930 10 0 ADAERN CCC[C@H](C)Cn1cc(N)nn1 86491298 537930503 /nfs/dbraw/zinc/93/05/03/537930503.db2.gz VIXHWHHTMJYXHV-ZETCQYMHSA-N 0 0 168.244 1.297 10 0 ADAERN CCOC(=O)[C@@H]1NC[C@@H](C)C[C@@H]1C 725261816 537930575 /nfs/dbraw/zinc/93/05/75/537930575.db2.gz IYSYIDJAIDPLJA-XHNCKOQMSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)C(=O)CCCN1CCOCC1 86353165 537931138 /nfs/dbraw/zinc/93/11/38/537931138.db2.gz RSTCCSLVSDDEFL-UHFFFAOYSA-N 0 0 199.294 1.324 10 0 ADAERN CCOC(=O)[C@@H]1CCC(=O)C[C@@H]1CC 725271969 537931372 /nfs/dbraw/zinc/93/13/72/537931372.db2.gz XGZXOANSIQTCQP-WCBMZHEXSA-N 0 0 198.262 1.945 10 0 ADAERN CCCC(=O)NCc1cccc(N)n1 725271024 537931660 /nfs/dbraw/zinc/93/16/60/537931660.db2.gz YFKIZOGEUSATBI-UHFFFAOYSA-N 0 0 193.250 1.080 10 0 ADAERN CCCCCCn1cc(N)nn1 86491253 537931776 /nfs/dbraw/zinc/93/17/76/537931776.db2.gz MZTJPEOYFJVGIW-UHFFFAOYSA-N 0 0 168.244 1.441 10 0 ADAERN CCC[C@@H](C)Cn1cc(N)nn1 86491297 537932139 /nfs/dbraw/zinc/93/21/39/537932139.db2.gz VIXHWHHTMJYXHV-SSDOTTSWSA-N 0 0 168.244 1.297 10 0 ADAERN CCOC(=O)[C@H]1CCC(=O)C[C@@H]1CC 725271970 537932453 /nfs/dbraw/zinc/93/24/53/537932453.db2.gz XGZXOANSIQTCQP-WPRPVWTQSA-N 0 0 198.262 1.945 10 0 ADAERN CC(C)c1nnc2ccncc2n1 725270267 537932463 /nfs/dbraw/zinc/93/24/63/537932463.db2.gz KONVLCLRUFLZOJ-UHFFFAOYSA-N 0 0 174.207 1.543 10 0 ADAERN CCOC(=O)[C@@H]1CCC(=O)C[C@H]1CC 725271966 537932568 /nfs/dbraw/zinc/93/25/68/537932568.db2.gz XGZXOANSIQTCQP-PSASIEDQSA-N 0 0 198.262 1.945 10 0 ADAERN CC(C)n1cnc2cc(F)nnc21 725272253 537932756 /nfs/dbraw/zinc/93/27/56/537932756.db2.gz JQJCETATZCHHNT-UHFFFAOYSA-N 0 0 180.186 1.546 10 0 ADAERN COc1cc(OC)c(C=O)cc1N 725270658 537933017 /nfs/dbraw/zinc/93/30/17/537933017.db2.gz PKMZVBTXHUFSKS-UHFFFAOYSA-N 0 0 181.191 1.099 10 0 ADAERN [NH3+][C@@H]1CCCc2ncc(C(=O)[O-])cc21 725272426 537933265 /nfs/dbraw/zinc/93/32/65/537933265.db2.gz MKGYNIJJTPUNKO-MRVPVSSYSA-N 0 0 192.218 1.116 10 0 ADAERN CC(C)n1nnc(N)c1C1CC1 86492930 537933525 /nfs/dbraw/zinc/93/35/25/537933525.db2.gz IRAAVLFJNQHUQP-UHFFFAOYSA-N 0 0 166.228 1.319 10 0 ADAERN CC(=O)N[C@H]1CCc2c(N)cccc21 725271691 537933920 /nfs/dbraw/zinc/93/39/20/537933920.db2.gz RDJYLOLFGZYEEH-NSHDSACASA-N 0 0 190.246 1.392 10 0 ADAERN CCOC(=O)[C@H]1CCC(=O)C[C@H]1CC 725271968 537934065 /nfs/dbraw/zinc/93/40/65/537934065.db2.gz XGZXOANSIQTCQP-SCZZXKLOSA-N 0 0 198.262 1.945 10 0 ADAERN [NH3+][C@H]1CCCc2ncc(C(=O)[O-])cc21 725272428 537934237 /nfs/dbraw/zinc/93/42/37/537934237.db2.gz MKGYNIJJTPUNKO-QMMMGPOBSA-N 0 0 192.218 1.116 10 0 ADAERN CC1(C)C[C@@]1(CO)C(F)F 725273118 537935450 /nfs/dbraw/zinc/93/54/50/537935450.db2.gz UZHDJXCUWVILPI-SSDOTTSWSA-N 0 0 150.168 1.660 10 0 ADAERN CC(=O)c1snnc1C(F)(F)F 725273272 537935603 /nfs/dbraw/zinc/93/56/03/537935603.db2.gz RWVNVPDKUOGLJO-UHFFFAOYSA-N 0 0 196.153 1.760 10 0 ADAERN COC(=O)[C@@]1(C(F)F)CC[C@H]1C 725272556 537935696 /nfs/dbraw/zinc/93/56/96/537935696.db2.gz PTHIYBIJHHKSRP-XRGYYRRGSA-N 0 0 178.178 1.841 10 0 ADAERN CCCCCn1cc(N)nn1 86491425 537935705 /nfs/dbraw/zinc/93/57/05/537935705.db2.gz HCHIILSKBGWIRJ-UHFFFAOYSA-N 0 0 154.217 1.051 10 0 ADAERN COC(=O)[C@]1(C(F)F)CC[C@H]1C 725272554 537936028 /nfs/dbraw/zinc/93/60/28/537936028.db2.gz PTHIYBIJHHKSRP-SVGQVSJJSA-N 0 0 178.178 1.841 10 0 ADAERN CC(=O)c1snnc1CC(C)C 725273296 537936101 /nfs/dbraw/zinc/93/61/01/537936101.db2.gz SXLPZSRLKLBDRY-UHFFFAOYSA-N 0 0 184.264 1.939 10 0 ADAERN C[C@H]1CC[C@]1(CO)C(F)F 725272809 537936818 /nfs/dbraw/zinc/93/68/18/537936818.db2.gz RKXUMVPQYUPNGH-CAHLUQPWSA-N 0 0 150.168 1.660 10 0 ADAERN O=Cc1ccc(C2=CCCOC2)cn1 725272886 537936835 /nfs/dbraw/zinc/93/68/35/537936835.db2.gz OKLGEHYZQYMAGU-UHFFFAOYSA-N 0 0 189.214 1.698 10 0 ADAERN C[C@@H]1CC[C@]1(CO)C(F)F 725272811 537936920 /nfs/dbraw/zinc/93/69/20/537936920.db2.gz RKXUMVPQYUPNGH-IYSWYEEDSA-N 0 0 150.168 1.660 10 0 ADAERN C[C@H]1CC[C@@]1(CO)C(F)F 725272810 537936984 /nfs/dbraw/zinc/93/69/84/537936984.db2.gz RKXUMVPQYUPNGH-FSPLSTOPSA-N 0 0 150.168 1.660 10 0 ADAERN COC(=O)[C@]1(C(F)F)CC1(C)C 725272883 537937024 /nfs/dbraw/zinc/93/70/24/537937024.db2.gz TXAUAANMWVRROD-MRVPVSSYSA-N 0 0 178.178 1.841 10 0 ADAERN CC(=O)c1snnc1CC1CC1 725272461 537937241 /nfs/dbraw/zinc/93/72/41/537937241.db2.gz GGFAKCTVYYWJOJ-UHFFFAOYSA-N 0 0 182.248 1.693 10 0 ADAERN CCC(C)(C)c1cc(CO)no1 725272491 537937286 /nfs/dbraw/zinc/93/72/86/537937286.db2.gz HEYVSWULKMDICG-UHFFFAOYSA-N 0 0 169.224 1.855 10 0 ADAERN Nc1c(F)cccc1N1CCCC1=O 725273441 537937324 /nfs/dbraw/zinc/93/73/24/537937324.db2.gz CPPGGBWHHNWXEN-UHFFFAOYSA-N 0 0 194.209 1.535 10 0 ADAERN COC(=O)[C@@]1(C(F)F)CC[C@@H]1C 725272555 537937432 /nfs/dbraw/zinc/93/74/32/537937432.db2.gz PTHIYBIJHHKSRP-XNCJUZBTSA-N 0 0 178.178 1.841 10 0 ADAERN COC(=O)[C@]1(C(F)F)CC[C@@H]1C 725272557 537937439 /nfs/dbraw/zinc/93/74/39/537937439.db2.gz PTHIYBIJHHKSRP-YLWLKBPMSA-N 0 0 178.178 1.841 10 0 ADAERN CC1(C)C[C@]1(CO)C(F)F 725273119 537937530 /nfs/dbraw/zinc/93/75/30/537937530.db2.gz UZHDJXCUWVILPI-ZETCQYMHSA-N 0 0 150.168 1.660 10 0 ADAERN COC(=O)[C@@]1(C(F)F)CC1(C)C 725272884 537937554 /nfs/dbraw/zinc/93/75/54/537937554.db2.gz TXAUAANMWVRROD-QMMMGPOBSA-N 0 0 178.178 1.841 10 0 ADAERN CC(=O)c1snnc1C(F)F 725273054 537937575 /nfs/dbraw/zinc/93/75/75/537937575.db2.gz PWURBIVKNKEBGS-UHFFFAOYSA-N 0 0 178.163 1.678 10 0 ADAERN Cc1cccc(N)c1N1CCCC1=O 725273704 537937687 /nfs/dbraw/zinc/93/76/87/537937687.db2.gz WJNUQUREHIZYGE-UHFFFAOYSA-N 0 0 190.246 1.704 10 0 ADAERN C[C@@H]1CC[C@@]1(CO)C(F)F 725272812 537937698 /nfs/dbraw/zinc/93/76/98/537937698.db2.gz RKXUMVPQYUPNGH-VDTYLAMSSA-N 0 0 150.168 1.660 10 0 ADAERN CC(C)C(O)=CC(=O)C1(C)CC1 87364737 537939378 /nfs/dbraw/zinc/93/93/78/537939378.db2.gz MRSLCHJVSNUBLD-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN CC1(C(=O)C=C(O)C2CC2)CC1 87364755 537939903 /nfs/dbraw/zinc/93/99/03/537939903.db2.gz LNFCQUWXCDXBAH-UHFFFAOYSA-N 0 0 166.220 1.725 10 0 ADAERN Nc1ccc2cnn(CCCF)c2c1 88025215 537941846 /nfs/dbraw/zinc/94/18/46/537941846.db2.gz VVJCKRPCQSZULX-UHFFFAOYSA-N 0 0 193.225 1.978 10 0 ADAERN COCCc1cccc(OC)c1 90556061 537942076 /nfs/dbraw/zinc/94/20/76/537942076.db2.gz PEJNOMFZIJQFHQ-UHFFFAOYSA-N 0 0 166.220 1.884 10 0 ADAERN C=Cc1cncc2c[nH]nc12 95628687 537943009 /nfs/dbraw/zinc/94/30/09/537943009.db2.gz ACIIATJNMNNJBU-UHFFFAOYSA-N 0 0 145.165 1.601 10 0 ADAERN C=C(C(=O)OC)c1cccc(OC)c1 88264308 537943027 /nfs/dbraw/zinc/94/30/27/537943027.db2.gz ITSQNSJVBVOVKP-UHFFFAOYSA-N 0 0 192.214 1.881 10 0 ADAERN C=Cc1cnc2c[nH]nc2c1 95628684 537943536 /nfs/dbraw/zinc/94/35/36/537943536.db2.gz DHTCTUDDVYXBKT-UHFFFAOYSA-N 0 0 145.165 1.601 10 0 ADAERN c1ccc2c(c1)CCN2Cc1cn[nH]c1 98177281 537945297 /nfs/dbraw/zinc/94/52/97/537945297.db2.gz QNIPDGWAUNJJMF-UHFFFAOYSA-N 0 0 199.257 1.972 10 0 ADAERN CCc1cccc(C(=O)NC)c1O 95711266 537945725 /nfs/dbraw/zinc/94/57/25/537945725.db2.gz GRJHCKXXQYPCEX-UHFFFAOYSA-N 0 0 179.219 1.314 10 0 ADAERN C[C@H](CC(C)(C)C)C(N)=O 104637672 537953480 /nfs/dbraw/zinc/95/34/80/537953480.db2.gz NHDAIKHCCBOFSC-ZCFIWIBFSA-N 0 0 143.230 1.544 10 0 ADAERN Nc1cn(C2CCCC2)cn1 96135364 537946092 /nfs/dbraw/zinc/94/60/92/537946092.db2.gz FJONWHAXXMOELO-UHFFFAOYSA-N 0 0 151.213 1.580 10 0 ADAERN Nc1cnccc1-c1ccoc1 96135163 537946463 /nfs/dbraw/zinc/94/64/63/537946463.db2.gz UFFBCCJKRVJJFU-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN COC(CC(=O)c1ccccn1)OC 96653029 537946550 /nfs/dbraw/zinc/94/65/50/537946550.db2.gz MEVITIGHZOQORN-UHFFFAOYSA-N 0 0 195.218 1.273 10 0 ADAERN 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538145051 /nfs/dbraw/zinc/14/50/51/538145051.db2.gz PARXCECEVJWXNZ-MRVPVSSYSA-N 0 0 185.267 1.064 10 0 ADAERN Cc1nnc(NC[C@H]2C[C@@H]2C)nc1C 164481778 538145846 /nfs/dbraw/zinc/14/58/46/538145846.db2.gz BXWBJXABLYOEBW-IMTBSYHQSA-N 0 0 192.266 1.556 10 0 ADAERN CC[C@H](C)CC(=O)NC1(CO)CC1 164485252 538145908 /nfs/dbraw/zinc/14/59/08/538145908.db2.gz PARXCECEVJWXNZ-QMMMGPOBSA-N 0 0 185.267 1.064 10 0 ADAERN CNS(=O)(=O)[C@@H]1CCC[C@@H](C)C1 164637577 538146491 /nfs/dbraw/zinc/14/64/91/538146491.db2.gz CEIYSHFNBPBFJC-HTQZYQBOSA-N 0 0 191.296 1.114 10 0 ADAERN CNS(=O)(=O)[C@@H]1CCC[C@H](C)C1 164637699 538147591 /nfs/dbraw/zinc/14/75/91/538147591.db2.gz CEIYSHFNBPBFJC-JGVFFNPUSA-N 0 0 191.296 1.114 10 0 ADAERN CNS(=O)(=O)[C@H]1CCC[C@@H](C)C1 164637344 538147661 /nfs/dbraw/zinc/14/76/61/538147661.db2.gz CEIYSHFNBPBFJC-SFYZADRCSA-N 0 0 191.296 1.114 10 0 ADAERN CNS(=O)(=O)[C@H]1CCC[C@H](C)C1 164637461 538147763 /nfs/dbraw/zinc/14/77/63/538147763.db2.gz CEIYSHFNBPBFJC-YUMQZZPRSA-N 0 0 191.296 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BYUUBLYSTHMJPT-UHFFFAOYSA-N 0 0 187.283 1.408 10 0 ADAERN CC[C@@H](O)CN[C@@H](C)c1ncc(C)o1 230644390 538211695 /nfs/dbraw/zinc/21/16/95/538211695.db2.gz OTICMKIOQGEMOC-DTWKUNHWSA-N 0 0 198.266 1.405 10 0 ADAERN Cc1cnc([C@H](C)NCCCO)o1 230644443 538211748 /nfs/dbraw/zinc/21/17/48/538211748.db2.gz YHCHURLTWIQGAD-QMMMGPOBSA-N 0 0 184.239 1.016 10 0 ADAERN CC[C@@H](O)CN[C@H](C)c1ncc(C)o1 230644404 538211981 /nfs/dbraw/zinc/21/19/81/538211981.db2.gz OTICMKIOQGEMOC-RKDXNWHRSA-N 0 0 198.266 1.405 10 0 ADAERN Cc1cc2ncc(Cl)cn2n1 230583153 538212140 /nfs/dbraw/zinc/21/21/40/538212140.db2.gz MBOXSKNWPQUMTD-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN CO[C@@H](C)CN[C@@H](C)c1ncc(C)o1 230644649 538212324 /nfs/dbraw/zinc/21/23/24/538212324.db2.gz LPPPOPOLFMFWHC-CBAPKCEASA-N 0 0 198.266 1.669 10 0 ADAERN Cc1cnc([C@@H](C)NCCCO)o1 230644437 538212576 /nfs/dbraw/zinc/21/25/76/538212576.db2.gz YHCHURLTWIQGAD-MRVPVSSYSA-N 0 0 184.239 1.016 10 0 ADAERN CCNc1nc(C)c(C)nc1NCC 230870244 538213344 /nfs/dbraw/zinc/21/33/44/538213344.db2.gz GEOZBWQOWLPUIU-UHFFFAOYSA-N 0 0 194.282 1.957 10 0 ADAERN COC(C)(C)CCOc1cnn(C)c1 231054131 538216392 /nfs/dbraw/zinc/21/63/92/538216392.db2.gz YCNUILPKJUQKLG-UHFFFAOYSA-N 0 0 198.266 1.614 10 0 ADAERN COC(C)(C)CCn1cnccc1=O 231052526 538216612 /nfs/dbraw/zinc/21/66/12/538216612.db2.gz CIJOFUZXDIHFGC-UHFFFAOYSA-N 0 0 196.250 1.058 10 0 ADAERN COC(C)(C)CCn1cc(C)c(N)n1 231026955 538216635 /nfs/dbraw/zinc/21/66/35/538216635.db2.gz WVRUBDZOAWOWQY-UHFFFAOYSA-N 0 0 197.282 1.589 10 0 ADAERN COC(C)(C)CCn1ccc(N)n1 231026885 538217957 /nfs/dbraw/zinc/21/79/57/538217957.db2.gz MLDDRFVAKURQAH-UHFFFAOYSA-N 0 0 183.255 1.280 10 0 ADAERN CCC[C@@H](C)CNCC(F)(F)CO 231776187 538219358 /nfs/dbraw/zinc/21/93/58/538219358.db2.gz PHRKXVIJWJUDLV-MRVPVSSYSA-N 0 0 195.253 1.640 10 0 ADAERN CC(C)C[C@@H](C)NCC(F)(F)CO 231792036 538220029 /nfs/dbraw/zinc/22/00/29/538220029.db2.gz WBCONSPDANKXBC-MRVPVSSYSA-N 0 0 195.253 1.638 10 0 ADAERN CCC[C@H](C)CNCC(F)(F)CO 231776188 538221890 /nfs/dbraw/zinc/22/18/90/538221890.db2.gz PHRKXVIJWJUDLV-QMMMGPOBSA-N 0 0 195.253 1.640 10 0 ADAERN CC(C)C[C@H](C)NCC(F)(F)CO 231792039 538221973 /nfs/dbraw/zinc/22/19/73/538221973.db2.gz WBCONSPDANKXBC-QMMMGPOBSA-N 0 0 195.253 1.638 10 0 ADAERN O[C@@H](CC1CCCC1)Cn1cccn1 232146021 538223374 /nfs/dbraw/zinc/22/33/74/538223374.db2.gz HLXCQYUDGFHTCH-NSHDSACASA-N 0 0 194.278 1.824 10 0 ADAERN CCOC(=O)c1n[nH]nc1CC(C)C 231850710 538223973 /nfs/dbraw/zinc/22/39/73/538223973.db2.gz FBEGOZUEWOAPDG-UHFFFAOYSA-N 0 0 197.238 1.180 10 0 ADAERN O[C@H](CC1CCCC1)Cn1ccnc1 232145981 538223987 /nfs/dbraw/zinc/22/39/87/538223987.db2.gz SVYOADWMRMQTFV-LLVKDONJSA-N 0 0 194.278 1.824 10 0 ADAERN CC1(CNC(=O)C(C)(C)O)CCC1 232562497 538224677 /nfs/dbraw/zinc/22/46/77/538224677.db2.gz PFZCQBJXFXFGPR-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN CC(C)(O)C(=O)NCCC1CCCC1 232563154 538225408 /nfs/dbraw/zinc/22/54/08/538225408.db2.gz FCUHASICPUYABK-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN O[C@H](CC1CCCC1)Cn1cccn1 232146022 538225418 /nfs/dbraw/zinc/22/54/18/538225418.db2.gz HLXCQYUDGFHTCH-LLVKDONJSA-N 0 0 194.278 1.824 10 0 ADAERN CC(C)(O)C(=O)NCCCC1CC1 232563451 538225610 /nfs/dbraw/zinc/22/56/10/538225610.db2.gz ZXBRKSFWQHYQDU-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN O[C@@H](CC1CCCC1)Cn1ccnc1 232145979 538225733 /nfs/dbraw/zinc/22/57/33/538225733.db2.gz SVYOADWMRMQTFV-NSHDSACASA-N 0 0 194.278 1.824 10 0 ADAERN CC(C)[C@H]1CCN(C(=O)C(C)(C)O)C1 232738457 538226507 /nfs/dbraw/zinc/22/65/07/538226507.db2.gz IAOVXAKDQAZKPD-VIFPVBQESA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)[C@H](C)CNC(=O)C(C)(C)O 232705012 538228868 /nfs/dbraw/zinc/22/88/68/538228868.db2.gz ILHZBJIPBNYSIR-MRVPVSSYSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)=CCNCc1ccon1 232618448 538228952 /nfs/dbraw/zinc/22/89/52/538228952.db2.gz DMMHKEXJYQFOQZ-UHFFFAOYSA-N 0 0 166.224 1.730 10 0 ADAERN CCNC(=O)c1ccc(COC)o1 232697368 538229069 /nfs/dbraw/zinc/22/90/69/538229069.db2.gz VSSNBPBGHXGGNC-UHFFFAOYSA-N 0 0 183.207 1.176 10 0 ADAERN CC(C)[C@@H](C)CNC(=O)C(C)(C)O 232696560 538229136 /nfs/dbraw/zinc/22/91/36/538229136.db2.gz ILHZBJIPBNYSIR-QMMMGPOBSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)[C@@H]1CCN(C(=O)C(C)(C)O)C1 232738145 538230011 /nfs/dbraw/zinc/23/00/11/538230011.db2.gz IAOVXAKDQAZKPD-SECBINFHSA-N 0 0 199.294 1.262 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)C(C)(C)O 233302197 538232276 /nfs/dbraw/zinc/23/22/76/538232276.db2.gz GQWCELZKHGIZNM-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN CCCC(=O)NCC=C(C)C 232896155 538232393 /nfs/dbraw/zinc/23/23/93/538232393.db2.gz BZHAVYKZFZNKEY-UHFFFAOYSA-N 0 0 155.241 1.869 10 0 ADAERN CCNC(=O)NCC(C)(C)CC 233479410 538235017 /nfs/dbraw/zinc/23/50/17/538235017.db2.gz BNVZKPLXABITDO-UHFFFAOYSA-N 0 0 172.272 1.742 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)C(C)(C)O 233376438 538235049 /nfs/dbraw/zinc/23/50/49/538235049.db2.gz GQWCELZKHGIZNM-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN CCC[C@H]1C[C@H]1NC(=O)C(C)(C)O 233369854 538236200 /nfs/dbraw/zinc/23/62/00/538236200.db2.gz 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/nfs/dbraw/zinc/24/22/78/538242278.db2.gz FBEMDCWZUVRBHM-DTWKUNHWSA-N 0 0 196.250 1.250 10 0 ADAERN C[C@@H](CO)CSc1ncco1 235121083 538242412 /nfs/dbraw/zinc/24/24/12/538242412.db2.gz QLTBXBKWTGWJTG-LURJTMIESA-N 0 0 173.237 1.395 10 0 ADAERN COc1cnc(NCC2(C)CC2)nc1 235020886 538243081 /nfs/dbraw/zinc/24/30/81/538243081.db2.gz LFNABHLNLPWVGF-UHFFFAOYSA-N 0 0 193.250 1.697 10 0 ADAERN Cc1cnc(CN[C@H]2CCO[C@H]2C)o1 235346470 538243684 /nfs/dbraw/zinc/24/36/84/538243684.db2.gz FBEMDCWZUVRBHM-IUCAKERBSA-N 0 0 196.250 1.250 10 0 ADAERN Cc1cnc(CN[C@H]2CCO[C@@H]2C)o1 235591389 538245828 /nfs/dbraw/zinc/24/58/28/538245828.db2.gz FBEMDCWZUVRBHM-BDAKNGLRSA-N 0 0 196.250 1.250 10 0 ADAERN Cc1coc(SCCCO)n1 235817216 538246300 /nfs/dbraw/zinc/24/63/00/538246300.db2.gz AAKPLQJTXRVANQ-UHFFFAOYSA-N 0 0 173.237 1.458 10 0 ADAERN Cc1nsc(NCCCCO)n1 235817611 538246415 /nfs/dbraw/zinc/24/64/15/538246415.db2.gz CENHKJWHRJFHPU-UHFFFAOYSA-N 0 0 187.268 1.031 10 0 ADAERN Cc1coc(SC[C@H](C)CO)n1 235479592 538247264 /nfs/dbraw/zinc/24/72/64/538247264.db2.gz MJAQOCQTSNCUQK-ZCFIWIBFSA-N 0 0 187.264 1.704 10 0 ADAERN C[C@H](CO)CSc1ncco1 235480643 538248367 /nfs/dbraw/zinc/24/83/67/538248367.db2.gz QLTBXBKWTGWJTG-ZCFIWIBFSA-N 0 0 173.237 1.395 10 0 ADAERN O[C@@H]1CC[C@@H](CNc2cccnn2)C1 236537231 538249359 /nfs/dbraw/zinc/24/93/59/538249359.db2.gz WWUXFQFXZDLEGO-RKDXNWHRSA-N 0 0 193.250 1.050 10 0 ADAERN O[C@H]1CC[C@@H](CNc2cccnn2)C1 236567585 538249878 /nfs/dbraw/zinc/24/98/78/538249878.db2.gz WWUXFQFXZDLEGO-BDAKNGLRSA-N 0 0 193.250 1.050 10 0 ADAERN O[C@@H]1CC[C@H](CNc2cccnn2)C1 236551505 538250444 /nfs/dbraw/zinc/25/04/44/538250444.db2.gz WWUXFQFXZDLEGO-DTWKUNHWSA-N 0 0 193.250 1.050 10 0 ADAERN O[C@H]1CC[C@H](CNc2cccnn2)C1 236580979 538251733 /nfs/dbraw/zinc/25/17/33/538251733.db2.gz WWUXFQFXZDLEGO-IUCAKERBSA-N 0 0 193.250 1.050 10 0 ADAERN CC(=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 238095564 538251785 /nfs/dbraw/zinc/25/17/85/538251785.db2.gz RSQJHBHGQMRDHX-AEJSXWLSSA-N 0 0 165.236 1.335 10 0 ADAERN O=C(CSc1ncco1)C1CC1 236402855 538252068 /nfs/dbraw/zinc/25/20/68/538252068.db2.gz YMUZUXGATOMKCB-UHFFFAOYSA-N 0 0 183.232 1.746 10 0 ADAERN CC[C@H](O)CC(=O)N(CC)CC 238306008 538252625 /nfs/dbraw/zinc/25/26/25/538252625.db2.gz DNAKXKSLDAYERL-QMMMGPOBSA-N 0 0 173.256 1.016 10 0 ADAERN CCOC(=O)[C@@H](O)C1=CCCC1 238257378 538252720 /nfs/dbraw/zinc/25/27/20/538252720.db2.gz MNWDFWROUYZWBO-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN CNCC(F)(F)CN1CCCCC1 238323571 538252747 /nfs/dbraw/zinc/25/27/47/538252747.db2.gz IHORRUQPCJFNMI-UHFFFAOYSA-N 0 0 192.253 1.327 10 0 ADAERN CCN(CC)CC(F)(F)CNC 238237891 538252791 /nfs/dbraw/zinc/25/27/91/538252791.db2.gz MQLKDQOLDUXFMR-UHFFFAOYSA-N 0 0 180.242 1.183 10 0 ADAERN CC[C@H](O)CC(=O)Nc1ccccc1 238306084 538253053 /nfs/dbraw/zinc/25/30/53/538253053.db2.gz UPFWKSSVBBNISS-JTQLQIEISA-N 0 0 193.246 1.786 10 0 ADAERN CCOC(=O)[C@H](O)C1=CC[C@@H](C)CC1 238258011 538253223 /nfs/dbraw/zinc/25/32/23/538253223.db2.gz WIGATLZZYLFAMS-PSASIEDQSA-N 0 0 198.262 1.657 10 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/nfs/dbraw/zinc/25/41/23/538254123.db2.gz HLYDNNWXTIHASR-JGVFFNPUSA-N 0 0 187.283 1.308 10 0 ADAERN C[C@@H]1[C@H](C(N)=O)[C@@H]1c1ccccc1 238453581 538254725 /nfs/dbraw/zinc/25/47/25/538254725.db2.gz AASPOPYJBBLGRI-HGNGGELXSA-N 0 0 175.231 1.521 10 0 ADAERN Cc1cc(C(=O)N2CC=CCC2)no1 238824532 538255440 /nfs/dbraw/zinc/25/54/40/538255440.db2.gz DKQSERDJQDKFSG-UHFFFAOYSA-N 0 0 192.218 1.385 10 0 ADAERN O=C(c1cccnc1)N1CC=CCC1 238833143 538255468 /nfs/dbraw/zinc/25/54/68/538255468.db2.gz GJWZOQOPIMLAGU-UHFFFAOYSA-N 0 0 188.230 1.484 10 0 ADAERN CC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1O 251943534 538265892 /nfs/dbraw/zinc/26/58/92/538265892.db2.gz STKJCVXPGOXSIY-LPEHRKFASA-N 0 0 199.294 1.452 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 252157009 538267564 /nfs/dbraw/zinc/26/75/64/538267564.db2.gz PGUOJPXGDXAGRH-XFWSIPNHSA-N 0 0 197.278 1.062 10 0 ADAERN CC[C@H](C)C(=O)N[C@@H](C)[C@H](C)CO 252709877 538271564 /nfs/dbraw/zinc/27/15/64/538271564.db2.gz FCDPZOADMBPNOS-YIZRAAEISA-N 0 0 187.283 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/nfs/dbraw/zinc/28/82/37/538288237.db2.gz MLXQYTXURGICNT-UHFFFAOYSA-N 0 0 179.219 1.460 10 0 ADAERN c1nc(CN2CCCC2)co1 258010415 538288345 /nfs/dbraw/zinc/28/83/45/538288345.db2.gz CRFTUJLTRNYQOD-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN COC(=O)c1n[nH]nc1C1CCCC1 259682092 538289742 /nfs/dbraw/zinc/28/97/42/538289742.db2.gz SHKCYHFSCNXTFW-UHFFFAOYSA-N 0 0 195.222 1.249 10 0 ADAERN N[S@@](=O)CC1CCCCC1 259712475 538289801 /nfs/dbraw/zinc/28/98/01/538289801.db2.gz LHGAOMVRTUPYBO-JTQLQIEISA-N 0 0 161.270 1.189 10 0 ADAERN COC(=O)[C@H]1COc2cc(F)ccc21 259783664 538290036 /nfs/dbraw/zinc/29/00/36/538290036.db2.gz BFKDEHJIRYSMCA-QMMMGPOBSA-N 0 0 196.177 1.475 10 0 ADAERN COC(=O)C[C@@H]1CCCSC1 259464052 538290298 /nfs/dbraw/zinc/29/02/98/538290298.db2.gz ALEOZKPQBHVEGO-ZETCQYMHSA-N 0 0 174.265 1.693 10 0 ADAERN CN(CC1(CO)CC1)c1ccccn1 258969735 538290796 /nfs/dbraw/zinc/29/07/96/538290796.db2.gz SSEFIAWWYDYNPF-UHFFFAOYSA-N 0 0 192.262 1.290 10 0 ADAERN C[N@@H+]1CCC[C@@H](CCCCC(=O)[O-])C1 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192.214 1.472 10 0 ADAERN COC(=O)[C@@H]1COc2cccc(C)c21 260419464 538293938 /nfs/dbraw/zinc/29/39/38/538293938.db2.gz RLKPWPUWKGUXFX-MRVPVSSYSA-N 0 0 192.214 1.644 10 0 ADAERN COC(=O)[C@@H]1Cc2ccc(C)cc2O1 260377499 538293946 /nfs/dbraw/zinc/29/39/46/538293946.db2.gz PRHGYVXIGFFXMR-JTQLQIEISA-N 0 0 192.214 1.472 10 0 ADAERN COC(=O)[C@H]1COc2cccc(C)c21 260419467 538293974 /nfs/dbraw/zinc/29/39/74/538293974.db2.gz RLKPWPUWKGUXFX-QMMMGPOBSA-N 0 0 192.214 1.644 10 0 ADAERN Cc1cc(N)nn1CCOCC(C)C 300843159 538294943 /nfs/dbraw/zinc/29/49/43/538294943.db2.gz FRJAGNXADCZMNN-UHFFFAOYSA-N 0 0 197.282 1.446 10 0 ADAERN COCCCCn1nc(N)cc1C 300818558 538295079 /nfs/dbraw/zinc/29/50/79/538295079.db2.gz AIJKOSKTFZOZNQ-UHFFFAOYSA-N 0 0 183.255 1.200 10 0 ADAERN CC(C)(C)CCCn1cc(N)nn1 300842735 538295225 /nfs/dbraw/zinc/29/52/25/538295225.db2.gz KAEJPYLREDOJAW-UHFFFAOYSA-N 0 0 182.271 1.687 10 0 ADAERN CCC(O)=CC(=O)C(C)(C)OC 300740174 538295446 /nfs/dbraw/zinc/29/54/46/538295446.db2.gz AHPKKAKGIBCJIR-UHFFFAOYSA-N 0 0 172.224 1.350 10 0 ADAERN CC(F)(F)C(=O)C=C(O)C1CC1 300851712 538295531 /nfs/dbraw/zinc/29/55/31/538295531.db2.gz HIRORTKCWHFLQF-UHFFFAOYSA-N 0 0 176.162 1.580 10 0 ADAERN CSCCCn1nc(N)cc1C 300872639 538295681 /nfs/dbraw/zinc/29/56/81/538295681.db2.gz LCHRWKQBLIWTLY-UHFFFAOYSA-N 0 0 185.296 1.527 10 0 ADAERN Cc1cc(N)nn1CCOC(C)C 300875124 538295878 /nfs/dbraw/zinc/29/58/78/538295878.db2.gz LOWNZRCFDSYJGZ-UHFFFAOYSA-N 0 0 183.255 1.199 10 0 ADAERN CCSCCCn1nc(N)cc1C 300845516 538296195 /nfs/dbraw/zinc/29/61/95/538296195.db2.gz GACQKNCJHVGLFS-UHFFFAOYSA-N 0 0 199.323 1.917 10 0 ADAERN COC(C)(C)CCn1nc(N)cc1C 300852207 538296334 /nfs/dbraw/zinc/29/63/34/538296334.db2.gz HMTUNLVTMATUJJ-UHFFFAOYSA-N 0 0 197.282 1.589 10 0 ADAERN CCCc1nccc(C(=O)OCC)n1 300749735 538296439 /nfs/dbraw/zinc/29/64/39/538296439.db2.gz QTGCGLQTRHXTHD-UHFFFAOYSA-N 0 0 194.234 1.606 10 0 ADAERN CCCOCCn1nc(N)cc1C 300909407 538296684 /nfs/dbraw/zinc/29/66/84/538296684.db2.gz RNLDCRYCRABQNQ-UHFFFAOYSA-N 0 0 183.255 1.200 10 0 ADAERN COCC[C@H](C)n1nc(N)cc1C 300880799 538296700 /nfs/dbraw/zinc/29/67/00/538296700.db2.gz MTGDJXIVWKJUFS-ZETCQYMHSA-N 0 0 183.255 1.371 10 0 ADAERN CCOC(=O)c1nc(CC)ncc1C 300987108 538296919 /nfs/dbraw/zinc/29/69/19/538296919.db2.gz VGGUUEHFVQHIPO-UHFFFAOYSA-N 0 0 194.234 1.524 10 0 ADAERN CC(C)C[C@H](C)Cn1cc(N)nn1 300966167 538297770 /nfs/dbraw/zinc/29/77/70/538297770.db2.gz RNRBMTBUEQKMTA-QMMMGPOBSA-N 0 0 182.271 1.543 10 0 ADAERN Cc1cc(N)nn1COCC1CC1 300927802 538297039 /nfs/dbraw/zinc/29/70/39/538297039.db2.gz VJHRWOQNWJQDIG-UHFFFAOYSA-N 0 0 181.239 1.158 10 0 ADAERN CC(C)C[C@@H](C)Cn1cnc(N)n1 300953366 538297188 /nfs/dbraw/zinc/29/71/88/538297188.db2.gz PZRPRZOZGIVPDN-MRVPVSSYSA-N 0 0 182.271 1.543 10 0 ADAERN C[C@H](C(=O)C1CC1)C(=O)C(C)(F)F 300883113 538297360 /nfs/dbraw/zinc/29/73/60/538297360.db2.gz NCDNNFFYPHTUPY-RXMQYKEDSA-N 0 0 190.189 1.826 10 0 ADAERN CCSCCn1nc(N)cc1C 300934733 538297564 /nfs/dbraw/zinc/29/75/64/538297564.db2.gz WTPJOOVZNRLVJS-UHFFFAOYSA-N 0 0 185.296 1.527 10 0 ADAERN Cc1cc(N)nn1CCOC(C)(C)C 300943997 538297659 /nfs/dbraw/zinc/29/76/59/538297659.db2.gz YHPRLEWJSUSJRZ-UHFFFAOYSA-N 0 0 197.282 1.589 10 0 ADAERN CCOC(=O)c1ccnc(CC)n1 300910541 538297804 /nfs/dbraw/zinc/29/78/04/538297804.db2.gz XSXMRMHMQFVQPV-UHFFFAOYSA-N 0 0 180.207 1.216 10 0 ADAERN FCCNc1nc(C2CC2)ns1 306149134 538297812 /nfs/dbraw/zinc/29/78/12/538297812.db2.gz DNCZLTRSQBCTQO-UHFFFAOYSA-N 0 0 187.243 1.797 10 0 ADAERN Cc1cc(N)nn1CCC(F)(F)F 300945620 538297817 /nfs/dbraw/zinc/29/78/17/538297817.db2.gz YNZFVRDSBXTMJR-UHFFFAOYSA-N 0 0 193.172 1.726 10 0 ADAERN C[C@@H](C(=O)C1CC1)C(=O)C(C)(F)F 300883115 538297918 /nfs/dbraw/zinc/29/79/18/538297918.db2.gz NCDNNFFYPHTUPY-YFKPBYRVSA-N 0 0 190.189 1.826 10 0 ADAERN CC(C)C[C@@H](C)Cn1cc(N)nn1 300966165 538298047 /nfs/dbraw/zinc/29/80/47/538298047.db2.gz RNRBMTBUEQKMTA-MRVPVSSYSA-N 0 0 182.271 1.543 10 0 ADAERN COC(C)(C)C(O)=CC(=O)C(F)F 301024075 538298116 /nfs/dbraw/zinc/29/81/16/538298116.db2.gz RBSJYYGFMXALHI-UHFFFAOYSA-N 0 0 194.177 1.205 10 0 ADAERN Cc1cc(N)nn1CCCCCCO 300877905 538298269 /nfs/dbraw/zinc/29/82/69/538298269.db2.gz MFNNEBRPSXMNBJ-UHFFFAOYSA-N 0 0 197.282 1.326 10 0 ADAERN CCOCCCn1nc(N)cc1C 300902575 538298327 /nfs/dbraw/zinc/29/83/27/538298327.db2.gz QHXOZKXMDWQMJB-UHFFFAOYSA-N 0 0 183.255 1.200 10 0 ADAERN COC(C)(C)C(=O)C=C(O)C1CC1 301013829 538298347 /nfs/dbraw/zinc/29/83/47/538298347.db2.gz OQSMDWUKZHJJCK-UHFFFAOYSA-N 0 0 184.235 1.350 10 0 ADAERN CC(C)C[C@H](C)Cn1cnc(N)n1 300953369 538298384 /nfs/dbraw/zinc/29/83/84/538298384.db2.gz PZRPRZOZGIVPDN-QMMMGPOBSA-N 0 0 182.271 1.543 10 0 ADAERN CC(C)(C)CCCn1cnc(N)n1 300922903 538298555 /nfs/dbraw/zinc/29/85/55/538298555.db2.gz UBTKWWDZYNPQGM-UHFFFAOYSA-N 0 0 182.271 1.687 10 0 ADAERN COCC[C@@H](C)n1nc(N)cc1C 300880798 538298758 /nfs/dbraw/zinc/29/87/58/538298758.db2.gz MTGDJXIVWKJUFS-SSDOTTSWSA-N 0 0 183.255 1.371 10 0 ADAERN COCc1nc([C@H]2CCCO2)no1 306151015 538299384 /nfs/dbraw/zinc/29/93/84/538299384.db2.gz BIGVFVJRTFMDNL-ZCFIWIBFSA-N 0 0 184.195 1.068 10 0 ADAERN COCc1nc([C@@H]2CCCO2)no1 306151012 538299527 /nfs/dbraw/zinc/29/95/27/538299527.db2.gz BIGVFVJRTFMDNL-LURJTMIESA-N 0 0 184.195 1.068 10 0 ADAERN Nc1cnn(C[C@@H]2CCCC[C@H]2O)c1 306204798 538300206 /nfs/dbraw/zinc/30/02/06/538300206.db2.gz NZUCBPSOYJYUCT-WCBMZHEXSA-N 0 0 195.266 1.016 10 0 ADAERN Nc1cnn(C[C@@H]2CCCC[C@@H]2O)c1 306204799 538300260 /nfs/dbraw/zinc/30/02/60/538300260.db2.gz NZUCBPSOYJYUCT-WPRPVWTQSA-N 0 0 195.266 1.016 10 0 ADAERN Nc1cnn(C[C@H]2CCCC[C@H]2O)c1 306204796 538300270 /nfs/dbraw/zinc/30/02/70/538300270.db2.gz NZUCBPSOYJYUCT-PSASIEDQSA-N 0 0 195.266 1.016 10 0 ADAERN Nc1cnn(C[C@H]2CCCC[C@@H]2O)c1 306204797 538300290 /nfs/dbraw/zinc/30/02/90/538300290.db2.gz NZUCBPSOYJYUCT-SCZZXKLOSA-N 0 0 195.266 1.016 10 0 ADAERN CCc1nsc(N2CC[C@H]2C)n1 306243038 538301028 /nfs/dbraw/zinc/30/10/28/538301028.db2.gz AFFJPJYUPOPOCO-ZCFIWIBFSA-N 0 0 183.280 1.699 10 0 ADAERN 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/nfs/dbraw/zinc/31/14/62/538311462.db2.gz PPRNOWXPQSVXKC-UHFFFAOYSA-N 0 0 181.216 1.598 10 0 ADAERN CCCC(O)=CC(=O)[C@@H]1CCCO1 308205313 538320598 /nfs/dbraw/zinc/32/05/98/538320598.db2.gz SHRRMQHVCNSVRN-JTQLQIEISA-N 0 0 184.235 1.494 10 0 ADAERN CO[C@@H]1CCC[C@@H]1n1nc(N)cc1C 307296161 538314080 /nfs/dbraw/zinc/31/40/80/538314080.db2.gz QFZXMOYGGIIMOZ-DTWKUNHWSA-N 0 0 195.266 1.514 10 0 ADAERN CO[C@H]1CCC[C@@H]1n1nc(N)cc1C 307296162 538314381 /nfs/dbraw/zinc/31/43/81/538314381.db2.gz QFZXMOYGGIIMOZ-IUCAKERBSA-N 0 0 195.266 1.514 10 0 ADAERN CO[C@H]1CCC[C@H]1n1nc(N)cc1C 307296160 538314410 /nfs/dbraw/zinc/31/44/10/538314410.db2.gz QFZXMOYGGIIMOZ-BDAKNGLRSA-N 0 0 195.266 1.514 10 0 ADAERN CO[C@@H]1CCC[C@H]1n1nc(N)cc1C 307296163 538314479 /nfs/dbraw/zinc/31/44/79/538314479.db2.gz QFZXMOYGGIIMOZ-RKDXNWHRSA-N 0 0 195.266 1.514 10 0 ADAERN COCC[C@@H](C)[C@@H](O)c1cn[nH]c1 308223825 538320095 /nfs/dbraw/zinc/32/00/95/538320095.db2.gz PPVUVKCSTCZKDC-VXNVDRBHSA-N 0 0 184.239 1.116 10 0 ADAERN 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/nfs/dbraw/zinc/32/04/13/538320413.db2.gz MNLCHRSKFJVYNY-CBAPKCEASA-N 0 0 168.240 1.879 10 0 ADAERN CC[C@@H](C(=O)C1CC1)C(OC)OC 308199798 538320433 /nfs/dbraw/zinc/32/04/33/538320433.db2.gz UHMZUZPJZUDNNL-QMMMGPOBSA-N 0 0 186.251 1.611 10 0 ADAERN CC[C@H](C)C(O)=CC(=O)CCOC 308128648 538320462 /nfs/dbraw/zinc/32/04/62/538320462.db2.gz CKPJDEUMBNUENR-QMMMGPOBSA-N 0 0 186.251 1.597 10 0 ADAERN CC[C@@H](C)[NH2+]CC(F)(F)C(=O)[O-] 308127991 538320487 /nfs/dbraw/zinc/32/04/87/538320487.db2.gz WARDDDJGZBVFNC-RXMQYKEDSA-N 0 0 181.182 1.094 10 0 ADAERN COCC[C@@H](C)[C@H](O)c1cn[nH]c1 308223820 538320491 /nfs/dbraw/zinc/32/04/91/538320491.db2.gz PPVUVKCSTCZKDC-APPZFPTMSA-N 0 0 184.239 1.116 10 0 ADAERN CCC(O)=C(C)C(=O)[C@H]1CCOC1 308138871 538320501 /nfs/dbraw/zinc/32/05/01/538320501.db2.gz JVYNNAOATKQNJT-SFYZADRCSA-N 0 0 184.235 1.207 10 0 ADAERN CC[C@@H](C)OCn1ccc(N)n1 308109137 538320517 /nfs/dbraw/zinc/32/05/17/538320517.db2.gz JFNHPZSWQDTVBW-SSDOTTSWSA-N 0 0 169.228 1.238 10 0 ADAERN 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/nfs/dbraw/zinc/41/32/51/538413251.db2.gz JJDCVFOZLARTDF-UHFFFAOYSA-N 0 0 197.278 1.065 10 0 ADAERN CCC1(C(=O)NCC2(C)COC2)CC1 379568998 538414598 /nfs/dbraw/zinc/41/45/98/538414598.db2.gz FXZJZHKHVYOHIN-UHFFFAOYSA-N 0 0 197.278 1.329 10 0 ADAERN CC[C@H](C)CNc1cn(C)nc1OC 379571168 538416011 /nfs/dbraw/zinc/41/60/11/538416011.db2.gz HHKPPNSHEZPDAD-QMMMGPOBSA-N 0 0 197.282 1.887 10 0 ADAERN CCCCOCCNCc1cocn1 379578297 538416620 /nfs/dbraw/zinc/41/66/20/538416620.db2.gz TVOAQFJYLRCEKQ-UHFFFAOYSA-N 0 0 198.266 1.581 10 0 ADAERN CC[C@@H](C)CNc1cn(C)nc1OC 379571164 538416821 /nfs/dbraw/zinc/41/68/21/538416821.db2.gz HHKPPNSHEZPDAD-MRVPVSSYSA-N 0 0 197.282 1.887 10 0 ADAERN CCCC1(C(=O)NCC[C@@H](C)O)CC1 379589780 538417959 /nfs/dbraw/zinc/41/79/59/538417959.db2.gz VPAVNFYTYDQZHR-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN CCOC(=O)[C@]1(CC)O[C@]12CC[C@H]2C 379589011 538417966 /nfs/dbraw/zinc/41/79/66/538417966.db2.gz UTNHXXJIGNOMRA-MIMYLULJSA-N 0 0 198.262 1.897 10 0 ADAERN CCOC(=O)[C@]1(CC)O[C@@]12CC[C@@H]2C 379589009 538418739 /nfs/dbraw/zinc/41/87/39/538418739.db2.gz UTNHXXJIGNOMRA-INTQDDNPSA-N 0 0 198.262 1.897 10 0 ADAERN CCOC(=O)[C@]1(CC)O[C@]12CC[C@@H]2C 379589010 538418836 /nfs/dbraw/zinc/41/88/36/538418836.db2.gz UTNHXXJIGNOMRA-LSJOCFKGSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@@]1(NCc2cocn2)CCOC1 379590461 538418855 /nfs/dbraw/zinc/41/88/55/538418855.db2.gz WITWRXXOUKBUNN-SNVBAGLBSA-N 0 0 196.250 1.333 10 0 ADAERN CC[C@]1(NCc2cocn2)CCOC1 379590460 538419054 /nfs/dbraw/zinc/41/90/54/538419054.db2.gz WITWRXXOUKBUNN-JTQLQIEISA-N 0 0 196.250 1.333 10 0 ADAERN CCOC(=O)[C@]1(CC)O[C@@]12CC[C@H]2C 379589008 538419209 /nfs/dbraw/zinc/41/92/09/538419209.db2.gz UTNHXXJIGNOMRA-DVVUODLYSA-N 0 0 198.262 1.897 10 0 ADAERN C[C@H](CCC1CC1)Nc1cccnn1 379662228 538427092 /nfs/dbraw/zinc/42/70/92/538427092.db2.gz RBLQMMACSYKOET-SECBINFHSA-N 0 0 191.278 1.889 10 0 ADAERN CCOC(C)(C)CNCc1cocn1 379598968 538420874 /nfs/dbraw/zinc/42/08/74/538420874.db2.gz IKRZCSRMZIOLLQ-UHFFFAOYSA-N 0 0 198.266 1.579 10 0 ADAERN COC1(CNCc2cocn2)CCC1 379591774 538420918 /nfs/dbraw/zinc/42/09/18/538420918.db2.gz XVGQASKGPNAKII-UHFFFAOYSA-N 0 0 196.250 1.333 10 0 ADAERN COCC1(Cn2ccc(N)n2)CCC1 379621293 538423116 /nfs/dbraw/zinc/42/31/16/538423116.db2.gz FQNWHEUEBXVTPO-UHFFFAOYSA-N 0 0 195.266 1.112 10 0 ADAERN CC[C@H](C)C[NH2+]Cc1ncccc1[O-] 379616569 538423218 /nfs/dbraw/zinc/42/32/18/538423218.db2.gz ZLLNZWIMQJTLSZ-VIFPVBQESA-N 0 0 194.278 1.923 10 0 ADAERN CC[C@@H](C)C[NH2+]Cc1ncccc1[O-] 379616566 538423815 /nfs/dbraw/zinc/42/38/15/538423815.db2.gz ZLLNZWIMQJTLSZ-SECBINFHSA-N 0 0 194.278 1.923 10 0 ADAERN Fc1cccnc1CNCC1(F)CC1 379620022 538424034 /nfs/dbraw/zinc/42/40/34/538424034.db2.gz DFXXSXBTIFGXRU-UHFFFAOYSA-N 0 0 198.216 1.812 10 0 ADAERN Fc1ccc(CNCC2(F)CC2)nc1 379628811 538424848 /nfs/dbraw/zinc/42/48/48/538424848.db2.gz LQAAIGQXLQHVRW-UHFFFAOYSA-N 0 0 198.216 1.812 10 0 ADAERN Cc1ccoc1C[N@@H+](C)C[C@H](C)CO 379631319 538425279 /nfs/dbraw/zinc/42/52/79/538425279.db2.gz NUWYBYBQKFPRSL-VIFPVBQESA-N 0 0 197.278 1.648 10 0 ADAERN Cc1ccoc1C[N@@H+](C)C[C@@H](C)CO 379631318 538425333 /nfs/dbraw/zinc/42/53/33/538425333.db2.gz NUWYBYBQKFPRSL-SECBINFHSA-N 0 0 197.278 1.648 10 0 ADAERN CC(C)Oc1nccnc1NCCF 379648214 538426279 /nfs/dbraw/zinc/42/62/79/538426279.db2.gz BQMGDYXHORQUAX-UHFFFAOYSA-N 0 0 199.229 1.645 10 0 ADAERN C[C@@H](CCC1CC1)Nc1cccnn1 379662229 538426873 /nfs/dbraw/zinc/42/68/73/538426873.db2.gz RBLQMMACSYKOET-VIFPVBQESA-N 0 0 191.278 1.889 10 0 ADAERN CCN(C(=O)N[C@@H]1C[C@H]1C)C1CC1 382109583 538427492 /nfs/dbraw/zinc/42/74/92/538427492.db2.gz DJNDTWSSDJFQOO-VXNVDRBHSA-N 0 0 182.267 1.589 10 0 ADAERN CC[C@](C)(OC)C(=O)N[C@@H]1C[C@H]1C 382017550 538427502 /nfs/dbraw/zinc/42/75/02/538427502.db2.gz OYLWIIQVBKQYMC-MRTMQBJTSA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CC1 382117269 538427664 /nfs/dbraw/zinc/42/76/64/538427664.db2.gz FULWABHLFIEOQM-FKTZTGRPSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@@](C)(OC)C(=O)N[C@@H]1C[C@H]1C 382017558 538427673 /nfs/dbraw/zinc/42/76/73/538427673.db2.gz OYLWIIQVBKQYMC-NQMVMOMDSA-N 0 0 185.267 1.326 10 0 ADAERN CN(CC(F)(F)CN)C(C)(C)C 382122881 538427688 /nfs/dbraw/zinc/42/76/88/538427688.db2.gz MPCCDZMIILVNBA-UHFFFAOYSA-N 0 0 180.242 1.311 10 0 ADAERN CC(C)(O)CCSc1cccnn1 381918955 538427844 /nfs/dbraw/zinc/42/78/44/538427844.db2.gz JVUCPVSKXLHCKA-UHFFFAOYSA-N 0 0 198.291 1.730 10 0 ADAERN CC[C@@H](C)OCC(=O)N[C@@H]1C[C@H]1C 382108415 538428085 /nfs/dbraw/zinc/42/80/85/538428085.db2.gz JISUUGSULZLUAV-IWSPIJDZSA-N 0 0 185.267 1.326 10 0 ADAERN CCC1(C)CN(CC(F)(F)CN)C1 381860738 538428097 /nfs/dbraw/zinc/42/80/97/538428097.db2.gz ANCQBEJYZGDCBY-UHFFFAOYSA-N 0 0 192.253 1.312 10 0 ADAERN CCCCNC(=O)C1CC(C)C1 381984989 538428107 /nfs/dbraw/zinc/42/81/07/538428107.db2.gz FMGKCBVFGYJNPG-UHFFFAOYSA-N 0 0 169.268 1.949 10 0 ADAERN CCC[C@H]1C[C@H]1NC(=O)[C@H]1C[C@@H]1C 382309718 538428474 /nfs/dbraw/zinc/42/84/74/538428474.db2.gz 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/nfs/dbraw/zinc/42/86/04/538428604.db2.gz YUNZHVPTJLFBKA-CIUDSAMLSA-N 0 0 185.267 1.041 10 0 ADAERN CC[C@@H](C)CC(=O)N[C@@H]1C[C@H]1C 382419760 538428646 /nfs/dbraw/zinc/42/86/46/538428646.db2.gz WOUCJDVXDVFPLN-IWSPIJDZSA-N 0 0 169.268 1.947 10 0 ADAERN CN(CCCCO)C(=O)c1ccco1 385067590 538428679 /nfs/dbraw/zinc/42/86/79/538428679.db2.gz CTUQUEWTPLJOKG-UHFFFAOYSA-N 0 0 197.234 1.124 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1C 382309721 538428693 /nfs/dbraw/zinc/42/86/93/538428693.db2.gz PTJSHKVJSNBBRG-XKNYDFJKSA-N 0 0 181.279 1.947 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)NCCF 388297166 538430858 /nfs/dbraw/zinc/43/08/58/538430858.db2.gz LQXZBCNAEZMKCJ-YUMQZZPRSA-N 0 0 188.246 1.444 10 0 ADAERN CCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C 382274310 538428652 /nfs/dbraw/zinc/42/86/52/538428652.db2.gz HTJHPFKWPODNES-YIZRAAEISA-N 0 0 169.268 1.947 10 0 ADAERN CCC[C@@H](C)C(=O)N[C@@H]1C[C@H]1C 382334594 538428819 /nfs/dbraw/zinc/42/88/19/538428819.db2.gz XPFYKNPPBHQVIC-IWSPIJDZSA-N 0 0 169.268 1.947 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538428928 /nfs/dbraw/zinc/42/89/28/538428928.db2.gz WOUCJDVXDVFPLN-DJLDLDEBSA-N 0 0 169.268 1.947 10 0 ADAERN CN(CCCCO)c1ccc(F)cn1 384954145 538428946 /nfs/dbraw/zinc/42/89/46/538428946.db2.gz PZAKELCRGXCAFP-UHFFFAOYSA-N 0 0 198.241 1.429 10 0 ADAERN CN(CCCCO)c1ncccc1F 384917908 538428966 /nfs/dbraw/zinc/42/89/66/538428966.db2.gz CQTPPCOPTPESQO-UHFFFAOYSA-N 0 0 198.241 1.429 10 0 ADAERN CCCC(=O)N[C@H]1C[C@@H]1C(F)F 382190148 538428973 /nfs/dbraw/zinc/42/89/73/538428973.db2.gz BPFNJDYBBHXANT-WDSKDSINSA-N 0 0 177.194 1.556 10 0 ADAERN COC(=O)[C@H]1O[C@]1(C)CC(C)(C)C 384815658 538428994 /nfs/dbraw/zinc/42/89/94/538428994.db2.gz VNSWZTXEAYYDDW-GMSGAONNSA-N 0 0 186.251 1.753 10 0 ADAERN CN(CCCCO)C(=O)C1CC=CC1 385085168 538429000 /nfs/dbraw/zinc/42/90/00/538429000.db2.gz JBFRCISWXLAINW-UHFFFAOYSA-N 0 0 197.278 1.184 10 0 ADAERN CN(CCCCO)C(=O)c1ccoc1 385087670 538429057 /nfs/dbraw/zinc/42/90/57/538429057.db2.gz JXLUNFQKLASYLF-UHFFFAOYSA-N 0 0 197.234 1.124 10 0 ADAERN 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538434740 /nfs/dbraw/zinc/43/47/40/538434740.db2.gz PFPBETRGKXPXHO-UHFFFAOYSA-N 0 0 183.251 1.248 10 0 ADAERN CC[C@](C)(OC)C(=O)N[C@H]1C[C@H]1C 388597548 538434760 /nfs/dbraw/zinc/43/47/60/538434760.db2.gz OYLWIIQVBKQYMC-WEDXCCLWSA-N 0 0 185.267 1.326 10 0 ADAERN COC[C@H](C)CC(=O)N[C@H]1C[C@H]1C 388624871 538434921 /nfs/dbraw/zinc/43/49/21/538434921.db2.gz GNSWVCNSRWLBLJ-HLTSFMKQSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)CC(=O)N(C)CCCCO 388628870 538434966 /nfs/dbraw/zinc/43/49/66/538434966.db2.gz HZYBELZZTFDLTI-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN COC[C@H](C)CC(=O)N[C@H]1C[C@@H]1C 388624873 538435030 /nfs/dbraw/zinc/43/50/30/538435030.db2.gz GNSWVCNSRWLBLJ-VGMNWLOBSA-N 0 0 185.267 1.184 10 0 ADAERN CCCCNC(=O)[C@@H]1CC[C@@H](C)O1 388634899 538435102 /nfs/dbraw/zinc/43/51/02/538435102.db2.gz MJSXVIIDVACEQU-BDAKNGLRSA-N 0 0 185.267 1.470 10 0 ADAERN COC[C@H](C)CC(=O)N[C@@H]1C[C@@H]1C 388624872 538435124 /nfs/dbraw/zinc/43/51/24/538435124.db2.gz GNSWVCNSRWLBLJ-HRDYMLBCSA-N 0 0 185.267 1.184 10 0 ADAERN CCCc1occc1C(=O)NCC 388632095 538435149 /nfs/dbraw/zinc/43/51/49/538435149.db2.gz LHJGYCRHJVONNB-UHFFFAOYSA-N 0 0 181.235 1.982 10 0 ADAERN CCCCNC(=O)[C@H]1CC[C@H](C)O1 388634900 538435158 /nfs/dbraw/zinc/43/51/58/538435158.db2.gz MJSXVIIDVACEQU-DTWKUNHWSA-N 0 0 185.267 1.470 10 0 ADAERN CC(C)OCC(=O)N[C@@H]1CC[C@H]1C 388678160 538436141 /nfs/dbraw/zinc/43/61/41/538436141.db2.gz ZNEUIOXAXMGJLN-RKDXNWHRSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)(C)OCCCn1ccnn1 388621072 538435324 /nfs/dbraw/zinc/43/53/24/538435324.db2.gz HGIATNIKOPRDTQ-UHFFFAOYSA-N 0 0 183.255 1.483 10 0 ADAERN CCCCNC(=O)[C@H]1CC[C@@H](C)O1 388634901 538435406 /nfs/dbraw/zinc/43/54/06/538435406.db2.gz MJSXVIIDVACEQU-RKDXNWHRSA-N 0 0 185.267 1.470 10 0 ADAERN CC[C@H](OC)C(=O)N1[C@@H](C)C[C@H]1C 388656692 538435477 /nfs/dbraw/zinc/43/54/77/538435477.db2.gz UGKFNWXSZISVOP-YIZRAAEISA-N 0 0 185.267 1.421 10 0 ADAERN CC[C@H](OC)C(=O)N1[C@@H](C)C[C@@H]1C 388656687 538435562 /nfs/dbraw/zinc/43/55/62/538435562.db2.gz 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/nfs/dbraw/zinc/43/59/44/538435944.db2.gz QNKUEZIFDUHWMI-QMMMGPOBSA-N 0 0 183.251 1.200 10 0 ADAERN CC[C@H](OC)C(=O)N1[C@H](C)C[C@H]1C 388656688 538435952 /nfs/dbraw/zinc/43/59/52/538435952.db2.gz UGKFNWXSZISVOP-HLTSFMKQSA-N 0 0 185.267 1.421 10 0 ADAERN C=C/C(C)=C\CC(=O)NCC(F)F 388733184 538436541 /nfs/dbraw/zinc/43/65/41/538436541.db2.gz VVWXUFNAAKATJA-DAXSKMNVSA-N 0 0 189.205 1.890 10 0 ADAERN CC(C)OCC(=O)N[C@H]1CC[C@@H]1C 388678158 538436048 /nfs/dbraw/zinc/43/60/48/538436048.db2.gz ZNEUIOXAXMGJLN-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)C(=O)NC[C@@H](O)C(C)(C)C 388716631 538436547 /nfs/dbraw/zinc/43/65/47/538436547.db2.gz QZNWFGWGEOQAQG-MRVPVSSYSA-N 0 0 187.283 1.166 10 0 ADAERN C=C/C(C)=C\CC(=O)NCCCO 388695657 538436285 /nfs/dbraw/zinc/43/62/85/538436285.db2.gz MDAWXILPMUEBDR-UITAMQMPSA-N 0 0 183.251 1.007 10 0 ADAERN CC(C)OCC(=O)N[C@H]1CC[C@H]1C 388678155 538436286 /nfs/dbraw/zinc/43/62/86/538436286.db2.gz ZNEUIOXAXMGJLN-BDAKNGLRSA-N 0 0 185.267 1.326 10 0 ADAERN C=C/C(C)=C/CC(=O)NCCCO 388695658 538436302 /nfs/dbraw/zinc/43/63/02/538436302.db2.gz MDAWXILPMUEBDR-WEVVVXLNSA-N 0 0 183.251 1.007 10 0 ADAERN CC(C)OCC(=O)N[C@@H]1CC[C@@H]1C 388678156 538436350 /nfs/dbraw/zinc/43/63/50/538436350.db2.gz ZNEUIOXAXMGJLN-DTWKUNHWSA-N 0 0 185.267 1.326 10 0 ADAERN COCCCC(=O)N[C@@H]1CC[C@@H]1C 388716657 538436567 /nfs/dbraw/zinc/43/65/67/538436567.db2.gz QZQMENNJQPHWBK-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN C=C/C(C)=C/CC(=O)NCC(F)F 388733187 538436708 /nfs/dbraw/zinc/43/67/08/538436708.db2.gz VVWXUFNAAKATJA-QPJJXVBHSA-N 0 0 189.205 1.890 10 0 ADAERN CC(C)C(=O)NC[C@H](O)C(C)(C)C 388716633 538436758 /nfs/dbraw/zinc/43/67/58/538436758.db2.gz QZNWFGWGEOQAQG-QMMMGPOBSA-N 0 0 187.283 1.166 10 0 ADAERN COCCCC(=O)N[C@@H]1CC[C@H]1C 388716663 538436783 /nfs/dbraw/zinc/43/67/83/538436783.db2.gz QZQMENNJQPHWBK-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN COCCCC(=O)N[C@H]1CC[C@@H]1C 388716660 538436805 /nfs/dbraw/zinc/43/68/05/538436805.db2.gz QZQMENNJQPHWBK-IUCAKERBSA-N 0 0 185.267 1.328 10 0 ADAERN COCCCC(=O)N[C@H]1CC[C@H]1C 388716655 538436874 /nfs/dbraw/zinc/43/68/74/538436874.db2.gz QZQMENNJQPHWBK-BDAKNGLRSA-N 0 0 185.267 1.328 10 0 ADAERN CCCc1nnnn1C[C@@H](C)CC 388778691 538437030 /nfs/dbraw/zinc/43/70/30/538437030.db2.gz JANKIUHHEPDESG-QMMMGPOBSA-N 0 0 182.271 1.672 10 0 ADAERN CCC[C@H](O)CC(=O)N[C@H]1C[C@H]1C 388756853 538437052 /nfs/dbraw/zinc/43/70/52/538437052.db2.gz CZVAWUFIBHVIFG-VGMNWLOBSA-N 0 0 185.267 1.062 10 0 ADAERN CCC[C@H](O)CC(=O)N[C@H]1C[C@@H]1C 388756851 538437244 /nfs/dbraw/zinc/43/72/44/538437244.db2.gz CZVAWUFIBHVIFG-CIUDSAMLSA-N 0 0 185.267 1.062 10 0 ADAERN CCNC(=O)c1sccc1COC 388768902 538437306 /nfs/dbraw/zinc/43/73/06/538437306.db2.gz GBMONJDFRYZIDD-UHFFFAOYSA-N 0 0 199.275 1.644 10 0 ADAERN CCCc1nnnn1C[C@H](C)CC 388778688 538437311 /nfs/dbraw/zinc/43/73/11/538437311.db2.gz JANKIUHHEPDESG-MRVPVSSYSA-N 0 0 182.271 1.672 10 0 ADAERN CCC(=O)CNC(=O)CCC(F)F 388814743 538437818 /nfs/dbraw/zinc/43/78/18/538437818.db2.gz RYQZTSPHUQGCEB-UHFFFAOYSA-N 0 0 193.193 1.127 10 0 ADAERN CCC[C@H](O)CC(=O)N[C@@H]1C[C@@H]1C 388756855 538437462 /nfs/dbraw/zinc/43/74/62/538437462.db2.gz CZVAWUFIBHVIFG-XHNCKOQMSA-N 0 0 185.267 1.062 10 0 ADAERN CCC(=O)N1CC(CC(F)(F)F)C1 388814776 538437655 /nfs/dbraw/zinc/43/76/55/538437655.db2.gz RYTQBGZFQTZMAI-UHFFFAOYSA-N 0 0 195.184 1.807 10 0 ADAERN CCC[C@](C)(O)C(=O)N[C@H]1C[C@@H]1C 388822122 538437670 /nfs/dbraw/zinc/43/76/70/538437670.db2.gz UFQAFSDXJISUPT-NRPADANISA-N 0 0 185.267 1.062 10 0 ADAERN CCC[C@](C)(O)C(=O)N[C@H]1C[C@H]1C 388822125 538437744 /nfs/dbraw/zinc/43/77/44/538437744.db2.gz UFQAFSDXJISUPT-WEDXCCLWSA-N 0 0 185.267 1.062 10 0 ADAERN CCN(CC1CC1)C(=O)C1=CCC1 388793636 538437860 /nfs/dbraw/zinc/43/78/60/538437860.db2.gz MPTDZIBDSSXIHE-UHFFFAOYSA-N 0 0 179.263 1.965 10 0 ADAERN CCC[C@](C)(O)C(=O)N[C@@H]1C[C@@H]1C 388822127 538437955 /nfs/dbraw/zinc/43/79/55/538437955.db2.gz UFQAFSDXJISUPT-XKSSXDPKSA-N 0 0 185.267 1.062 10 0 ADAERN COCCCNC(=O)C1CC(C)C1 388819275 538437986 /nfs/dbraw/zinc/43/79/86/538437986.db2.gz SXRXHTNMMIUWQT-UHFFFAOYSA-N 0 0 185.267 1.185 10 0 ADAERN CN(C)c1noc(CCC(F)F)n1 388861697 538438105 /nfs/dbraw/zinc/43/81/05/538438105.db2.gz DXZVSJCMQMBUSD-UHFFFAOYSA-N 0 0 191.181 1.333 10 0 ADAERN CCCCCN(C)CC(F)(F)CN 388856574 538438164 /nfs/dbraw/zinc/43/81/64/538438164.db2.gz CPOQRLCDVVAJHX-UHFFFAOYSA-N 0 0 194.269 1.702 10 0 ADAERN CC(C)[C@@H](C)N(C)CC(F)(F)CN 388859508 538438262 /nfs/dbraw/zinc/43/82/62/538438262.db2.gz DNTRXAVAVHBPFO-MRVPVSSYSA-N 0 0 194.269 1.557 10 0 ADAERN CC(C)[C@H](C)N(C)CC(F)(F)CN 388859510 538438445 /nfs/dbraw/zinc/43/84/45/538438445.db2.gz DNTRXAVAVHBPFO-QMMMGPOBSA-N 0 0 194.269 1.557 10 0 ADAERN Cc1cc(CNCC2(F)CC2)ncn1 388843584 538438478 /nfs/dbraw/zinc/43/84/78/538438478.db2.gz XRHKBUYYVRBVGC-UHFFFAOYSA-N 0 0 195.241 1.377 10 0 ADAERN Cc1noc(C)c1CNCC1(F)CC1 388900972 538438531 /nfs/dbraw/zinc/43/85/31/538438531.db2.gz VFBTUKDOZOMNFV-UHFFFAOYSA-N 0 0 198.241 1.883 10 0 ADAERN C=C/C(C)=C\CC(=O)N[C@H](C)CO 388936176 538438579 /nfs/dbraw/zinc/43/85/79/538438579.db2.gz VQIJQOVRSYADTO-BZJXQOFCSA-N 0 0 183.251 1.006 10 0 ADAERN CCCCCN1CC(=O)N(CC)C1 388937035 538438621 /nfs/dbraw/zinc/43/86/21/538438621.db2.gz VYQMPORGYRBWNW-UHFFFAOYSA-N 0 0 184.283 1.298 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)CC(C)(F)F 388897479 538438645 /nfs/dbraw/zinc/43/86/45/538438645.db2.gz MPIWLCBHJVWNHG-BQBZGAKWSA-N 0 0 191.221 1.804 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)CC(C)(F)F 388897484 538438656 /nfs/dbraw/zinc/43/86/56/538438656.db2.gz MPIWLCBHJVWNHG-RQJHMYQMSA-N 0 0 191.221 1.804 10 0 ADAERN CC(=O)CCCC(=O)N[C@@H]1C[C@H]1C 388942983 538438760 /nfs/dbraw/zinc/43/87/60/538438760.db2.gz XYOSTSAXUCNNHO-VXNVDRBHSA-N 0 0 183.251 1.270 10 0 ADAERN CC(=O)CCCC(=O)N[C@H]1C[C@H]1C 388942979 538438898 /nfs/dbraw/zinc/43/88/98/538438898.db2.gz XYOSTSAXUCNNHO-APPZFPTMSA-N 0 0 183.251 1.270 10 0 ADAERN C(=C\c1ccncn1)\c1cn[nH]c1 388918982 538438920 /nfs/dbraw/zinc/43/89/20/538438920.db2.gz RDVVHAAEBVMFKU-UPHRSURJSA-N 0 0 172.191 1.370 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)CC(C)(F)F 388897483 538438922 /nfs/dbraw/zinc/43/89/22/538438922.db2.gz MPIWLCBHJVWNHG-RNFRBKRXSA-N 0 0 191.221 1.804 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)CC(C)(F)F 388897481 538438932 /nfs/dbraw/zinc/43/89/32/538438932.db2.gz MPIWLCBHJVWNHG-NKWVEPMBSA-N 0 0 191.221 1.804 10 0 ADAERN OC1(CC[NH2+]Cc2cocn2)CCC1 389247266 538439601 /nfs/dbraw/zinc/43/96/01/538439601.db2.gz CBSLZSZDXKMYRQ-UHFFFAOYSA-N 0 0 196.250 1.069 10 0 ADAERN CC(C)Oc1cncc(NCCF)n1 389215446 538439337 /nfs/dbraw/zinc/43/93/37/538439337.db2.gz KFMFNXOTUGHEKQ-UHFFFAOYSA-N 0 0 199.229 1.645 10 0 ADAERN COC(C)(C)C(=O)N(C)CCC1CC1 389215936 538439553 /nfs/dbraw/zinc/43/95/53/538439553.db2.gz KLJWWPOYLTTWDC-UHFFFAOYSA-N 0 0 199.294 1.670 10 0 ADAERN COCC1(Cn2cc(N)cn2)CCC1 389233108 538439644 /nfs/dbraw/zinc/43/96/44/538439644.db2.gz UXMNPBOZJHEPIT-UHFFFAOYSA-N 0 0 195.266 1.282 10 0 ADAERN CO[C@@H]1C[C@@H](CO)[N@H+](CC=C(C)C)C1 389280638 538440642 /nfs/dbraw/zinc/44/06/42/538440642.db2.gz ROADPHWIAIPZFJ-WDEREUQCSA-N 0 0 199.294 1.034 10 0 ADAERN CO[C@H]1C[C@@H](CO)[N@H+](CC=C(C)C)C1 389280637 538440734 /nfs/dbraw/zinc/44/07/34/538440734.db2.gz ROADPHWIAIPZFJ-QWRGUYRKSA-N 0 0 199.294 1.034 10 0 ADAERN Cc1nc2ncc(Cl)cn2n1 402786652 538441480 /nfs/dbraw/zinc/44/14/80/538441480.db2.gz RAARRQQJSFWDRM-UHFFFAOYSA-N 0 0 168.587 1.086 10 0 ADAERN CCOc1nc2ncc(Cl)cn2n1 402900506 538441494 /nfs/dbraw/zinc/44/14/94/538441494.db2.gz UWYRMMKZXQFWJQ-UHFFFAOYSA-N 0 0 198.613 1.176 10 0 ADAERN Nc1cnn(CCC(F)(F)Cl)c1 402069125 538441498 /nfs/dbraw/zinc/44/14/98/538441498.db2.gz MTUDHIXWHNFRDC-UHFFFAOYSA-N 0 0 195.600 1.687 10 0 ADAERN Nc1ccn(CCC(F)(F)Cl)n1 402034519 538441501 /nfs/dbraw/zinc/44/15/01/538441501.db2.gz CITQWHWOFSHGIZ-UHFFFAOYSA-N 0 0 195.600 1.517 10 0 ADAERN CCc1cnn2cc(Cl)cnc12 402912509 538441509 /nfs/dbraw/zinc/44/15/09/538441509.db2.gz ZTJLHTFROYYCDR-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN CCc1nc2ncc(Cl)cn2n1 402897238 538441516 /nfs/dbraw/zinc/44/15/16/538441516.db2.gz TZMKIBWOZGVIFW-UHFFFAOYSA-N 0 0 182.614 1.340 10 0 ADAERN CCc1cc2ncc(Cl)cn2n1 402907802 538441543 /nfs/dbraw/zinc/44/15/43/538441543.db2.gz XWKFOOPIDQFZRB-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN Cc1nn2cc(Cl)cnc2c1C 402866560 538441549 /nfs/dbraw/zinc/44/15/49/538441549.db2.gz IBIMXAAXQINCHB-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN Nc1cn(CCC(F)(F)Cl)nn1 402186624 538441592 /nfs/dbraw/zinc/44/15/92/538441592.db2.gz RFZBZNHQIZKOAS-UHFFFAOYSA-N 0 0 196.588 1.082 10 0 ADAERN Nc1ncn(C[C@@H]2CC[C@H]3C[C@H]3C2)n1 403746024 538441634 /nfs/dbraw/zinc/44/16/34/538441634.db2.gz NNMYLFJNJOTURX-HRDYMLBCSA-N 0 0 192.266 1.127 10 0 ADAERN Nc1ccn(CC=C(Cl)Cl)n1 403391526 538441636 /nfs/dbraw/zinc/44/16/36/538441636.db2.gz QKLRPXZKLSSBJR-UHFFFAOYSA-N 0 0 192.049 1.784 10 0 ADAERN Nc1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 403347963 538441644 /nfs/dbraw/zinc/44/16/44/538441644.db2.gz HQDYEFRHOIHNOB-HLTSFMKQSA-N 0 0 192.266 1.297 10 0 ADAERN 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538446224 /nfs/dbraw/zinc/44/62/24/538446224.db2.gz NSLFTVVZFNAFPS-NWGYLPEXSA-N 0 0 197.278 1.616 10 0 ADAERN COc1c(C=O)cc(F)cc1C=O 669382823 538446226 /nfs/dbraw/zinc/44/62/26/538446226.db2.gz DUKHOXQJNISXAN-UHFFFAOYSA-N 0 0 182.150 1.459 10 0 ADAERN COc1cc(C)ccc1C[C@@H]1CO1 669382593 538446230 /nfs/dbraw/zinc/44/62/30/538446230.db2.gz BZGSKGXEUXVCQD-SNVBAGLBSA-N 0 0 178.231 1.945 10 0 ADAERN Cn1cnc2ccc(C[C@@H]3CO3)cc21 669383012 538446233 /nfs/dbraw/zinc/44/62/33/538446233.db2.gz QYGZSRCBSFOELJ-SECBINFHSA-N 0 0 188.230 1.515 10 0 ADAERN COC(=O)[C@@H]1O[C@@]12CCCCC[C@H]2C 669383200 538446238 /nfs/dbraw/zinc/44/62/38/538446238.db2.gz OAGUKEQJOXXTHJ-WCABBAIRSA-N 0 0 198.262 1.897 10 0 ADAERN COC(=O)[C@@H]1O[C@@]12CCCCC[C@@H]2C 669383197 538446258 /nfs/dbraw/zinc/44/62/58/538446258.db2.gz OAGUKEQJOXXTHJ-ATZCPNFKSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@@]12CC[C@@H]2C 669383528 538446263 /nfs/dbraw/zinc/44/62/63/538446263.db2.gz IMRJEAWQYGPYBO-FXBDTBDDSA-N 0 0 184.235 1.507 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/nfs/dbraw/zinc/44/66/46/538446646.db2.gz XDSPSFYHDOJFOL-SECBINFHSA-N 0 0 194.230 1.645 10 0 ADAERN Cn1cnc2cc(C[C@@H]3CO3)ccc21 669382609 538446348 /nfs/dbraw/zinc/44/63/48/538446348.db2.gz CVSOSEKTMRVVDC-SECBINFHSA-N 0 0 188.230 1.515 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@H]2C 669383529 538446351 /nfs/dbraw/zinc/44/63/51/538446351.db2.gz IMRJEAWQYGPYBO-QNSHHTMESA-N 0 0 184.235 1.507 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@H]1C[C@H]12 669383547 538446356 /nfs/dbraw/zinc/44/63/56/538446356.db2.gz JDOGHGFTNYWJOZ-URPMGSGRSA-N 0 0 196.246 1.507 10 0 ADAERN COC(=O)[C@@H]1O[C@]12CC[C@H]1CCC[C@@H]12 669382768 538446364 /nfs/dbraw/zinc/44/63/64/538446364.db2.gz LHGMSKJBSLTMDQ-HJGDQZAQSA-N 0 0 196.246 1.507 10 0 ADAERN COC(=O)[C@H]1O[C@]1(C)CC1CCCC1 669383432 538446379 /nfs/dbraw/zinc/44/63/79/538446379.db2.gz QXVNOGWOSNOGAD-MWLCHTKSSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@@H]2C 669383530 538446384 /nfs/dbraw/zinc/44/63/84/538446384.db2.gz IMRJEAWQYGPYBO-SFGNSQDASA-N 0 0 184.235 1.507 10 0 ADAERN CN(C)c1nc(C[NH3+])ccc1Cl 669383324 538446385 /nfs/dbraw/zinc/44/63/85/538446385.db2.gz SFENBDPOKHKCRK-UHFFFAOYSA-N 0 0 185.658 1.260 10 0 ADAERN COC(=O)[C@@H]1O[C@]12CCCCC[C@@H]2C 669383199 538446387 /nfs/dbraw/zinc/44/63/87/538446387.db2.gz OAGUKEQJOXXTHJ-QXEWZRGKSA-N 0 0 198.262 1.897 10 0 ADAERN CC(=O)c1cccc(C[C@H]2CO2)c1 669382622 538446393 /nfs/dbraw/zinc/44/63/93/538446393.db2.gz DTCYMWJMMHYPHM-NSHDSACASA-N 0 0 176.215 1.831 10 0 ADAERN CCc1cn(CC)cc1C(=O)OC 669382857 538446395 /nfs/dbraw/zinc/44/63/95/538446395.db2.gz MVBOQRGBKDSJRX-UHFFFAOYSA-N 0 0 181.235 1.857 10 0 ADAERN COC(=O)[C@@H]1O[C@@]1(C)CC1CCCC1 669383434 538446408 /nfs/dbraw/zinc/44/64/08/538446408.db2.gz QXVNOGWOSNOGAD-ONGXEEELSA-N 0 0 198.262 1.897 10 0 ADAERN COC(=O)[C@@H]1O[C@]1(C)CC1CCCC1 669383430 538446410 /nfs/dbraw/zinc/44/64/10/538446410.db2.gz QXVNOGWOSNOGAD-GXSJLCMTSA-N 0 0 198.262 1.897 10 0 ADAERN [NH3+]CC[C@]1(C(=O)[O-])CC2CCC1CC2 669382918 538446412 /nfs/dbraw/zinc/44/64/12/538446412.db2.gz NSLFTVVZFNAFPS-AMUVOQDHSA-N 0 0 197.278 1.616 10 0 ADAERN C[C@@H](O)c1ccc(C[C@H]2CO2)cc1 669383146 538446413 /nfs/dbraw/zinc/44/64/13/538446413.db2.gz ZZJDZSBILZRNHA-KCJUWKMLSA-N 0 0 178.231 1.681 10 0 ADAERN COC(=O)[C@H]1O[C@]12C[C@@H]1CCCC[C@@H]12 669383484 538446417 /nfs/dbraw/zinc/44/64/17/538446417.db2.gz RSXITAMLTXISLY-CKEKPRIKSA-N 0 0 196.246 1.507 10 0 ADAERN CC(C)C[C@@H]1CC[C@H](C)[NH2+][C@H]1C(=O)[O-] 669385165 538447226 /nfs/dbraw/zinc/44/72/26/538447226.db2.gz FEZTZWYQXUZUPE-LPEHRKFASA-N 0 0 199.294 1.874 10 0 ADAERN CCc1nc(C[NH2+]C)sc1CC 669382894 538446429 /nfs/dbraw/zinc/44/64/29/538446429.db2.gz NJIFFYOXNMOIPT-UHFFFAOYSA-N 0 0 184.308 1.987 10 0 ADAERN COc1cc(C)ccc1C[C@H]1CO1 669382569 538446433 /nfs/dbraw/zinc/44/64/33/538446433.db2.gz BZGSKGXEUXVCQD-JTQLQIEISA-N 0 0 178.231 1.945 10 0 ADAERN COC(=O)[C@@H]1O[C@]12CC[C@@H]1CCC[C@@H]12 669382771 538446435 /nfs/dbraw/zinc/44/64/35/538446435.db2.gz LHGMSKJBSLTMDQ-KBIXCLLPSA-N 0 0 196.246 1.507 10 0 ADAERN C[C@H](O)c1ccc(C[C@H]2CO2)cc1 669383149 538446436 /nfs/dbraw/zinc/44/64/36/538446436.db2.gz ZZJDZSBILZRNHA-KWQFWETISA-N 0 0 178.231 1.681 10 0 ADAERN CCc1cc(NN)c2c(C)noc2n1 669382592 538446452 /nfs/dbraw/zinc/44/64/52/538446452.db2.gz BZSQWFJMAZGYPQ-UHFFFAOYSA-N 0 0 192.222 1.379 10 0 ADAERN C[C@@H](O)c1ccc(C[C@@H]2CO2)cc1 669383152 538446461 /nfs/dbraw/zinc/44/64/61/538446461.db2.gz ZZJDZSBILZRNHA-LDYMZIIASA-N 0 0 178.231 1.681 10 0 ADAERN CCn1cc(C)c(C(=O)OC)c1 669382964 538446652 /nfs/dbraw/zinc/44/66/52/538446652.db2.gz QASNKEBUYXAPFA-UHFFFAOYSA-N 0 0 167.208 1.603 10 0 ADAERN O=c1cnc(Cc2ccccc2)c[nH]1 669382678 538446471 /nfs/dbraw/zinc/44/64/71/538446471.db2.gz NPCCLFFVEQSQMF-UHFFFAOYSA-N 0 0 186.214 1.361 10 0 ADAERN Cc1c(N)c2cc(O)ccc2n1C 669383337 538446485 /nfs/dbraw/zinc/44/64/85/538446485.db2.gz STYCZAFNHHCREN-UHFFFAOYSA-N 0 0 176.219 1.775 10 0 ADAERN COC(=O)[C@@H]1O[C@]12C[C@H]1CCCC[C@H]12 669383489 538446498 /nfs/dbraw/zinc/44/64/98/538446498.db2.gz RSXITAMLTXISLY-REIXXSIJSA-N 0 0 196.246 1.507 10 0 ADAERN NNc1cnc(-c2cccs2)cn1 669382984 538446508 /nfs/dbraw/zinc/44/65/08/538446508.db2.gz QGEIMQNJECFJFQ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN COC(=O)c1cn(C)cc1C(C)C 669382916 538446512 /nfs/dbraw/zinc/44/65/12/538446512.db2.gz NRVQNEZBXTXRLO-UHFFFAOYSA-N 0 0 181.235 1.935 10 0 ADAERN COC(=O)[C@H]1O[C@@]12C[C@@H]1CCCC[C@@H]12 669383490 538446529 /nfs/dbraw/zinc/44/65/29/538446529.db2.gz RSXITAMLTXISLY-WYOJIJJFSA-N 0 0 196.246 1.507 10 0 ADAERN CC[C@@]1(C(=O)OC)O[C@@]1(C)CC1CC1 669382601 538446544 /nfs/dbraw/zinc/44/65/44/538446544.db2.gz CCJYGNYQFJSARS-QWRGUYRKSA-N 0 0 198.262 1.897 10 0 ADAERN COC(=O)[C@@H]1O[C@]12CC[C@H]1CCC[C@H]12 669382773 538446546 /nfs/dbraw/zinc/44/65/46/538446546.db2.gz LHGMSKJBSLTMDQ-REIXXSIJSA-N 0 0 196.246 1.507 10 0 ADAERN C[C@H](O)c1ccc(C[C@@H]2CO2)cc1 669383143 538446549 /nfs/dbraw/zinc/44/65/49/538446549.db2.gz ZZJDZSBILZRNHA-GZMMTYOYSA-N 0 0 178.231 1.681 10 0 ADAERN COc1cccc(C[C@H]2CO2)c1OC 669383093 538446576 /nfs/dbraw/zinc/44/65/76/538446576.db2.gz XDSPSFYHDOJFOL-VIFPVBQESA-N 0 0 194.230 1.645 10 0 ADAERN Cn1cnc2ccc(C[C@H]3CO3)cc21 669383013 538446590 /nfs/dbraw/zinc/44/65/90/538446590.db2.gz QYGZSRCBSFOELJ-VIFPVBQESA-N 0 0 188.230 1.515 10 0 ADAERN COc1cc(C[C@@H]2CO2)ccc1F 669383024 538446606 /nfs/dbraw/zinc/44/66/06/538446606.db2.gz SOHIJHMKQFRTQU-MRVPVSSYSA-N 0 0 182.194 1.776 10 0 ADAERN COC(=O)[C@@H]1O[C@]12C[C@@H]1CCCC[C@@H]12 669383488 538446617 /nfs/dbraw/zinc/44/66/17/538446617.db2.gz RSXITAMLTXISLY-KBIXCLLPSA-N 0 0 196.246 1.507 10 0 ADAERN COC(=O)[C@@H]1O[C@]12C[C@H]1CCCC[C@@H]12 669383487 538446623 /nfs/dbraw/zinc/44/66/23/538446623.db2.gz RSXITAMLTXISLY-HJGDQZAQSA-N 0 0 196.246 1.507 10 0 ADAERN CC(=O)c1cccc(C[C@@H]2CO2)c1 669382621 538446653 /nfs/dbraw/zinc/44/66/53/538446653.db2.gz DTCYMWJMMHYPHM-LLVKDONJSA-N 0 0 176.215 1.831 10 0 ADAERN COC(=O)[C@@H]1O[C@]12CCCCC[C@H]2C 669383202 538446691 /nfs/dbraw/zinc/44/66/91/538446691.db2.gz OAGUKEQJOXXTHJ-YWVKMMECSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@@]1(C(=O)OC)O[C@]1(C)CC1CC1 669382600 538446694 /nfs/dbraw/zinc/44/66/94/538446694.db2.gz CCJYGNYQFJSARS-MNOVXSKESA-N 0 0 198.262 1.897 10 0 ADAERN O=c1cnc(CC2CCCCC2)c[nH]1 669383049 538446707 /nfs/dbraw/zinc/44/67/07/538446707.db2.gz VZUFEWMKJWZALU-UHFFFAOYSA-N 0 0 192.262 1.893 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@@]12CCC2(C)C 669384495 538446773 /nfs/dbraw/zinc/44/67/73/538446773.db2.gz WZBKVXYZIJWCRA-GHMZBOCLSA-N 0 0 198.262 1.897 10 0 ADAERN COC(=O)[C@@H]1O[C@@]12C[C@H]1CC[C@H](C1)C2 669383969 538446776 /nfs/dbraw/zinc/44/67/76/538446776.db2.gz ZAMNBYSPNDMDDW-QCBRBAQYSA-N 0 0 196.246 1.507 10 0 ADAERN Cc1cc(NN)c2c(C)noc2n1 669384058 538446786 /nfs/dbraw/zinc/44/67/86/538446786.db2.gz MZXATQARMBCSDX-UHFFFAOYSA-N 0 0 178.195 1.125 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@@H](C)C2 669384639 538446798 /nfs/dbraw/zinc/44/67/98/538446798.db2.gz ZGBQNTBMOHGDDO-DVVUODLYSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@@]1(C(=O)OC)OC12CC(C)C2 669384064 538446806 /nfs/dbraw/zinc/44/68/06/538446806.db2.gz NBGRPJVRGSHKES-GDRRJGKNSA-N 0 0 184.235 1.507 10 0 ADAERN CCCNc1noc2c1CCC2 669384877 538446808 /nfs/dbraw/zinc/44/68/08/538446808.db2.gz LCKLFQKJVDSJOJ-UHFFFAOYSA-N 0 0 166.224 1.985 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CC[C@H](C)C2 669384641 538446809 /nfs/dbraw/zinc/44/68/09/538446809.db2.gz ZGBQNTBMOHGDDO-INTQDDNPSA-N 0 0 198.262 1.897 10 0 ADAERN CCC(=O)N1CC[C@]2(CO)CCC[C@H]12 669384343 538446811 /nfs/dbraw/zinc/44/68/11/538446811.db2.gz UCAIYJSQZMREDE-ONGXEEELSA-N 0 0 197.278 1.160 10 0 ADAERN CCc1noc2nc(C)cc(NN)c12 669384101 538446814 /nfs/dbraw/zinc/44/68/14/538446814.db2.gz NRGOWMKOPZTMFY-UHFFFAOYSA-N 0 0 192.222 1.379 10 0 ADAERN CC(C)Cc1cnn(C2CC2)c1N 669384858 538446818 /nfs/dbraw/zinc/44/68/18/538446818.db2.gz KHLZAHIRFZZEST-UHFFFAOYSA-N 0 0 179.267 1.999 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12C[C@@H](C)[C@@H]2C 669384512 538446819 /nfs/dbraw/zinc/44/68/19/538446819.db2.gz XJXSPLBARHIORG-MKHNBGRSSA-N 0 0 198.262 1.753 10 0 ADAERN CC(C)C[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C(=O)[O-] 669385166 538446820 /nfs/dbraw/zinc/44/68/20/538446820.db2.gz FEZTZWYQXUZUPE-UTLUCORTSA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12C[C@H](C)[C@H]2C 669384514 538446826 /nfs/dbraw/zinc/44/68/26/538446826.db2.gz XJXSPLBARHIORG-URPMGSGRSA-N 0 0 198.262 1.753 10 0 ADAERN CC[C@]1(C(=O)OC)OC12CC(C)(C)C2 669384362 538446828 /nfs/dbraw/zinc/44/68/28/538446828.db2.gz UNLDEBJDUPUGOZ-LLVKDONJSA-N 0 0 198.262 1.897 10 0 ADAERN COC(=O)[C@]1(CC(C)C)OC12CCC2 669384095 538446860 /nfs/dbraw/zinc/44/68/60/538446860.db2.gz NQHCOHLBUMYJJS-NSHDSACASA-N 0 0 198.262 1.897 10 0 ADAERN CCc1cc(N)c2c(CC)noc2n1 669384624 538446861 /nfs/dbraw/zinc/44/68/61/538446861.db2.gz YYVPQVWVVNBVBF-UHFFFAOYSA-N 0 0 191.234 1.930 10 0 ADAERN CCc1noc2nc(C)cc(N)c12 669384306 538446874 /nfs/dbraw/zinc/44/68/74/538446874.db2.gz SCLYAJNJOHSHBA-UHFFFAOYSA-N 0 0 177.207 1.676 10 0 ADAERN CC(C)CNc1noc2c1CCOC2 669384767 538446880 /nfs/dbraw/zinc/44/68/80/538446880.db2.gz DYNFJTYUPZRWIH-UHFFFAOYSA-N 0 0 196.250 1.815 10 0 ADAERN CC(C)C[C@@H]1CC[C@@H](C)[NH2+][C@H]1C(=O)[O-] 669385164 538446903 /nfs/dbraw/zinc/44/69/03/538446903.db2.gz FEZTZWYQXUZUPE-KXUCPTDWSA-N 0 0 199.294 1.874 10 0 ADAERN CCCNc1noc2c1CCOC2 669384901 538446956 /nfs/dbraw/zinc/44/69/56/538446956.db2.gz MBHXIZCXOSAUOV-UHFFFAOYSA-N 0 0 182.223 1.569 10 0 ADAERN CCc1cc(=O)c2c(C)noc2[nH]1 669383937 538446957 /nfs/dbraw/zinc/44/69/57/538446957.db2.gz LZIKJOXWEOMYIS-UHFFFAOYSA-N 0 0 178.191 1.799 10 0 ADAERN CC1(C)CCc2c(N)noc2C1 669385013 538446974 /nfs/dbraw/zinc/44/69/74/538446974.db2.gz SIMUFJYKQQDCCO-UHFFFAOYSA-N 0 0 166.224 1.772 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@@]12CCC[C@@H]2C 669384109 538446927 /nfs/dbraw/zinc/44/69/27/538446927.db2.gz NWUMQEKPUVVCCD-JMJZKYOTSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@@H]1CC[C@H](C)[NH2+][C@H]1C(=O)[O-] 669385223 538446930 /nfs/dbraw/zinc/44/69/30/538446930.db2.gz NYGSIDXRZUMEOG-XLPZGREQSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@]1(C(=O)OC)OC12CC(C)C2 669384065 538446944 /nfs/dbraw/zinc/44/69/44/538446944.db2.gz NBGRPJVRGSHKES-YXGXMSFMSA-N 0 0 184.235 1.507 10 0 ADAERN CCc1noc2[nH]c(C)cc(=O)c12 669384461 538446994 /nfs/dbraw/zinc/44/69/94/538446994.db2.gz WKYZJVDJUDJOLX-UHFFFAOYSA-N 0 0 178.191 1.799 10 0 ADAERN O=Cc1cc(CO)c(Cl)s1 669384805 538447006 /nfs/dbraw/zinc/44/70/06/538447006.db2.gz GZBOMVZEBGBPSR-UHFFFAOYSA-N 0 0 176.624 1.706 10 0 ADAERN CCc1cc(N)c2c(C)noc2n1 669384419 538447007 /nfs/dbraw/zinc/44/70/07/538447007.db2.gz VQRGSMCAPSBOER-UHFFFAOYSA-N 0 0 177.207 1.676 10 0 ADAERN COC(=O)[C@H]1O[C@]12C[C@H]1CC[C@H](C1)C2 669383968 538447008 /nfs/dbraw/zinc/44/70/08/538447008.db2.gz ZAMNBYSPNDMDDW-PKIKSRDPSA-N 0 0 196.246 1.507 10 0 ADAERN CC[C@@H]1CC[C@@H](C)[NH2+][C@@H]1C(=O)[O-] 669385221 538447045 /nfs/dbraw/zinc/44/70/45/538447045.db2.gz NYGSIDXRZUMEOG-PRJMDXOYSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@@]1(C(=O)OC)OC12CC(C)(C)C2 669384363 538447057 /nfs/dbraw/zinc/44/70/57/538447057.db2.gz UNLDEBJDUPUGOZ-NSHDSACASA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@@]12CCC[C@H]2C 669384106 538447082 /nfs/dbraw/zinc/44/70/82/538447082.db2.gz NWUMQEKPUVVCCD-FBIMIBRVSA-N 0 0 198.262 1.897 10 0 ADAERN COC(=O)[C@H]1O[C@]12CCC21CCCC1 669384182 538447092 /nfs/dbraw/zinc/44/70/92/538447092.db2.gz PQXSLQDQSBGAJK-LDYMZIIASA-N 0 0 196.246 1.651 10 0 ADAERN CCC(=O)N[C@@H](CCO)C1CCCC1 669385261 538447131 /nfs/dbraw/zinc/44/71/31/538447131.db2.gz WMCUENCLXFXANH-JTQLQIEISA-N 0 0 199.294 1.454 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12C[C@H](C)[C@@H]2C 669384511 538447140 /nfs/dbraw/zinc/44/71/40/538447140.db2.gz XJXSPLBARHIORG-HLFFCZDVSA-N 0 0 198.262 1.753 10 0 ADAERN CCC(=O)N[C@H](CCO)C1CCCC1 669385262 538447155 /nfs/dbraw/zinc/44/71/55/538447155.db2.gz WMCUENCLXFXANH-SNVBAGLBSA-N 0 0 199.294 1.454 10 0 ADAERN CCOc1c(C=O)cc(F)cc1C=O 669384562 538447158 /nfs/dbraw/zinc/44/71/58/538447158.db2.gz YFBGEQFGNUMOSV-UHFFFAOYSA-N 0 0 196.177 1.849 10 0 ADAERN COC(=O)[C@@H]1O[C@@]12CCC21CCCC1 669384181 538447169 /nfs/dbraw/zinc/44/71/69/538447169.db2.gz PQXSLQDQSBGAJK-KWQFWETISA-N 0 0 196.246 1.651 10 0 ADAERN COC(=O)[C@@H]1O[C@]12CCC21CCCC1 669384179 538447171 /nfs/dbraw/zinc/44/71/71/538447171.db2.gz PQXSLQDQSBGAJK-GZMMTYOYSA-N 0 0 196.246 1.651 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@@]12CC[C@H](C)C2 669384642 538447173 /nfs/dbraw/zinc/44/71/73/538447173.db2.gz ZGBQNTBMOHGDDO-JMJZKYOTSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CCC[C@H]2C 669384108 538447183 /nfs/dbraw/zinc/44/71/83/538447183.db2.gz NWUMQEKPUVVCCD-IEBDPFPHSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@@]1(C(=O)OC)O[C@]12CCC2(C)C 669384497 538447187 /nfs/dbraw/zinc/44/71/87/538447187.db2.gz WZBKVXYZIJWCRA-QWRGUYRKSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@@]1(C(=O)OC)O[C@@]12CCC2(C)C 669384498 538447201 /nfs/dbraw/zinc/44/72/01/538447201.db2.gz WZBKVXYZIJWCRA-WDEREUQCSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CCC[C@@H]2C 669384107 538447209 /nfs/dbraw/zinc/44/72/09/538447209.db2.gz NWUMQEKPUVVCCD-GDPRMGEGSA-N 0 0 198.262 1.897 10 0 ADAERN CC(C)C[C@@H]1CC[C@H](C)[NH2+][C@@H]1C(=O)[O-] 669385163 538447211 /nfs/dbraw/zinc/44/72/11/538447211.db2.gz FEZTZWYQXUZUPE-GUBZILKMSA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12CCC2(C)C 669384496 538447219 /nfs/dbraw/zinc/44/72/19/538447219.db2.gz WZBKVXYZIJWCRA-MNOVXSKESA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@H]1CCc2c(N)noc2C1 669385061 538447240 /nfs/dbraw/zinc/44/72/40/538447240.db2.gz VYWAFCDOPGCGOH-LURJTMIESA-N 0 0 166.224 1.772 10 0 ADAERN CC[C@]1(C(=O)OC)O[C@]12C[C@@H](C)[C@H]2C 669384513 538447244 /nfs/dbraw/zinc/44/72/44/538447244.db2.gz XJXSPLBARHIORG-OYBPUVFXSA-N 0 0 198.262 1.753 10 0 ADAERN CC[C@@H]1CC[C@@H](C)[NH2+][C@H]1C(=O)[O-] 669385220 538447249 /nfs/dbraw/zinc/44/72/49/538447249.db2.gz NYGSIDXRZUMEOG-BWZBUEFSSA-N 0 0 171.240 1.238 10 0 ADAERN COC(=O)[C@H]1O[C@@]12CCC21CCCC1 669384180 538447252 /nfs/dbraw/zinc/44/72/52/538447252.db2.gz PQXSLQDQSBGAJK-KCJUWKMLSA-N 0 0 196.246 1.651 10 0 ADAERN CCC(=O)N1CC[C@]2(CO)CCC[C@@H]12 669384342 538447268 /nfs/dbraw/zinc/44/72/68/538447268.db2.gz UCAIYJSQZMREDE-KOLCDFICSA-N 0 0 197.278 1.160 10 0 ADAERN COC(=O)[C@H]1O[C@@]12C[C@H]1CC[C@H](C1)C2 669383966 538447269 /nfs/dbraw/zinc/44/72/69/538447269.db2.gz ZAMNBYSPNDMDDW-LOKLDPHHSA-N 0 0 196.246 1.507 10 0 ADAERN CCC(=O)N1CC[C@@]2(CO)CCC[C@H]12 669384341 538447270 /nfs/dbraw/zinc/44/72/70/538447270.db2.gz UCAIYJSQZMREDE-GXSJLCMTSA-N 0 0 197.278 1.160 10 0 ADAERN COC(=O)[C@@H]1O[C@]12C[C@H]1CC[C@H](C1)C2 669383964 538447276 /nfs/dbraw/zinc/44/72/76/538447276.db2.gz ZAMNBYSPNDMDDW-DKIAZLNASA-N 0 0 196.246 1.507 10 0 ADAERN COC(=O)[C@@]1(CC(C)C)OC12CCC2 669384094 538447277 /nfs/dbraw/zinc/44/72/77/538447277.db2.gz NQHCOHLBUMYJJS-LLVKDONJSA-N 0 0 198.262 1.897 10 0 ADAERN CO[C@H]1CCCN(Cc2cocn2)C1 669950650 538447284 /nfs/dbraw/zinc/44/72/84/538447284.db2.gz RJUJLXYHDYNUTJ-JTQLQIEISA-N 0 0 196.250 1.285 10 0 ADAERN CO[C@@H]1CCCN(Cc2cocn2)C1 669950651 538447291 /nfs/dbraw/zinc/44/72/91/538447291.db2.gz RJUJLXYHDYNUTJ-SNVBAGLBSA-N 0 0 196.250 1.285 10 0 ADAERN NC(=S)c1nc2cc(F)ccc2o1 675057448 538449050 /nfs/dbraw/zinc/44/90/50/538449050.db2.gz BTAJWSRFHMRJQI-UHFFFAOYSA-N 0 0 196.206 1.601 10 0 ADAERN Nc1csc(-c2ccnnc2)n1 675051720 538447708 /nfs/dbraw/zinc/44/77/08/538447708.db2.gz ZXYBBIKFBWPRCR-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN [NH3+]Cc1occ(C2CCC2)c1C(=O)[O-] 675051129 538447709 /nfs/dbraw/zinc/44/77/09/538447709.db2.gz AZBJEIWZUDRLHW-UHFFFAOYSA-N 0 0 195.218 1.704 10 0 ADAERN O=C1CCC[C@H]2CSC[C@@H]12 675050312 538447442 /nfs/dbraw/zinc/44/74/42/538447442.db2.gz PJICDSLVAPPMNU-NKWVEPMBSA-N 0 0 156.250 1.719 10 0 ADAERN O=C1CCC[C@@H]2CSC[C@H]12 675050314 538447453 /nfs/dbraw/zinc/44/74/53/538447453.db2.gz PJICDSLVAPPMNU-RQJHMYQMSA-N 0 0 156.250 1.719 10 0 ADAERN [NH3+]Cc1occ(CC2CC2)c1C(=O)[O-] 675051387 538447455 /nfs/dbraw/zinc/44/74/55/538447455.db2.gz ITRIZGABSJUEAZ-UHFFFAOYSA-N 0 0 195.218 1.389 10 0 ADAERN C[NH2+]Cc1occ(C2CC2)c1C(=O)[O-] 675051417 538447539 /nfs/dbraw/zinc/44/75/39/538447539.db2.gz JYQWHVUNHCCWQD-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN [NH3+]Cc1occ(C2CC2)c1C(=O)[O-] 675051484 538447599 /nfs/dbraw/zinc/44/75/99/538447599.db2.gz LZOWVUPCJUTURT-UHFFFAOYSA-N 0 0 181.191 1.314 10 0 ADAERN CCCc1coc(C[NH3+])c1C(=O)[O-] 675051688 538447608 /nfs/dbraw/zinc/44/76/08/538447608.db2.gz QEAHWMLNMVFLMH-UHFFFAOYSA-N 0 0 183.207 1.389 10 0 ADAERN O=C1CCC[C@@H]2CSC[C@@H]12 675050313 538447638 /nfs/dbraw/zinc/44/76/38/538447638.db2.gz PJICDSLVAPPMNU-RNFRBKRXSA-N 0 0 156.250 1.719 10 0 ADAERN O=C1CCC[C@H]2CSC[C@H]12 675050311 538447649 /nfs/dbraw/zinc/44/76/49/538447649.db2.gz PJICDSLVAPPMNU-BQBZGAKWSA-N 0 0 156.250 1.719 10 0 ADAERN CCCc1coc(C[NH2+]C)c1C(=O)[O-] 675051128 538447663 /nfs/dbraw/zinc/44/76/63/538447663.db2.gz ATNYTHRDXIFIQM-UHFFFAOYSA-N 0 0 197.234 1.650 10 0 ADAERN COC1=NCCCC12CCOCC2 675049958 538447667 /nfs/dbraw/zinc/44/76/67/538447667.db2.gz CFWGURVGLVCBNM-UHFFFAOYSA-N 0 0 183.251 1.622 10 0 ADAERN CC[C@@H](C)c1coc(C[NH3+])c1C(=O)[O-] 675051439 538447678 /nfs/dbraw/zinc/44/76/78/538447678.db2.gz KVSSTKNHWYSRCP-ZCFIWIBFSA-N 0 0 197.234 1.950 10 0 ADAERN CC(C)(C)c1coc(C[NH3+])c1C(=O)[O-] 675051931 538447723 /nfs/dbraw/zinc/44/77/23/538447723.db2.gz XXMJTNQDRIKOAK-UHFFFAOYSA-N 0 0 197.234 1.734 10 0 ADAERN CC[C@H](C)c1coc(C[NH3+])c1C(=O)[O-] 675051438 538447810 /nfs/dbraw/zinc/44/78/10/538447810.db2.gz KVSSTKNHWYSRCP-LURJTMIESA-N 0 0 197.234 1.950 10 0 ADAERN C[NH2+]Cc1occ(C(C)C)c1C(=O)[O-] 675051189 538447834 /nfs/dbraw/zinc/44/78/34/538447834.db2.gz CSZQCIVUGOVCJY-UHFFFAOYSA-N 0 0 197.234 1.821 10 0 ADAERN [NH3+]Cc1occ(C(F)F)c1C(=O)[O-] 675051199 538447843 /nfs/dbraw/zinc/44/78/43/538447843.db2.gz DMJAEMYGVFJCBR-UHFFFAOYSA-N 0 0 191.133 1.374 10 0 ADAERN OC[C@](O)(C1=CCCC1)C(F)(F)F 675054054 538447950 /nfs/dbraw/zinc/44/79/50/538447950.db2.gz SQYFEMCVMJOVDU-ZETCQYMHSA-N 0 0 196.168 1.382 10 0 ADAERN C[C@]1(c2ccccc2)C[C@]1([NH3+])C(=O)[O-] 675051992 538447961 /nfs/dbraw/zinc/44/79/61/538447961.db2.gz OUCAXEAXUFGYFI-MNOVXSKESA-N 0 0 191.230 1.130 10 0 ADAERN CCCC1C(=O)N(C)N=C1C 675052869 538447964 /nfs/dbraw/zinc/44/79/64/538447964.db2.gz BZFFBWPDRWIPIO-UHFFFAOYSA-N 0 0 154.213 1.387 10 0 ADAERN CCCN(C)Cc1nn(C)cc1C=O 675053786 538447970 /nfs/dbraw/zinc/44/79/70/538447970.db2.gz LIGXLNOSDYKZAS-UHFFFAOYSA-N 0 0 195.266 1.074 10 0 ADAERN COCC(=O)NCCC1CC=CC1 675053338 538447985 /nfs/dbraw/zinc/44/79/85/538447985.db2.gz IFEJLDGQKRLRKW-UHFFFAOYSA-N 0 0 183.251 1.105 10 0 ADAERN OC[C@@](O)(C1=CCCC1)C(F)(F)F 675054052 538448018 /nfs/dbraw/zinc/44/80/18/538448018.db2.gz SQYFEMCVMJOVDU-SSDOTTSWSA-N 0 0 196.168 1.382 10 0 ADAERN CCN(CC)Cc1nn(C)cc1C=O 675052818 538448068 /nfs/dbraw/zinc/44/80/68/538448068.db2.gz AXHKCHSSQIPTLG-UHFFFAOYSA-N 0 0 195.266 1.074 10 0 ADAERN C[NH2+]Cc1occ(C)c1C(=O)[O-] 675051939 538448071 /nfs/dbraw/zinc/44/80/71/538448071.db2.gz YCVWBSYPGRBOEN-UHFFFAOYSA-N 0 0 169.180 1.006 10 0 ADAERN CC(=O)NCCC1CC=CC1 675052962 538448079 /nfs/dbraw/zinc/44/80/79/538448079.db2.gz CWKGLFFPDOCJED-UHFFFAOYSA-N 0 0 153.225 1.479 10 0 ADAERN C[C@@]1(c2ccccc2)C[C@]1([NH3+])C(=O)[O-] 675051993 538448098 /nfs/dbraw/zinc/44/80/98/538448098.db2.gz OUCAXEAXUFGYFI-QWRGUYRKSA-N 0 0 191.230 1.130 10 0 ADAERN CC1=NN(C)C(=O)C1CC(C)C 675053761 538448117 /nfs/dbraw/zinc/44/81/17/538448117.db2.gz KSKMIWJMDYDFRO-UHFFFAOYSA-N 0 0 168.240 1.633 10 0 ADAERN C[C@@]1(c2ccccc2)C[C@@]1([NH3+])C(=O)[O-] 675051994 538448166 /nfs/dbraw/zinc/44/81/66/538448166.db2.gz OUCAXEAXUFGYFI-WDEREUQCSA-N 0 0 191.230 1.130 10 0 ADAERN CC1=NN(C)C(=O)C1C1CC1 675053656 538448206 /nfs/dbraw/zinc/44/82/06/538448206.db2.gz JUSUIXLHTLTJIT-UHFFFAOYSA-N 0 0 152.197 1.312 10 0 ADAERN COCCC(=O)NCCC1CC=CC1 675052900 538448388 /nfs/dbraw/zinc/44/83/88/538448388.db2.gz BZKZEDGVDJRFNX-UHFFFAOYSA-N 0 0 197.278 1.495 10 0 ADAERN CCCCC1C(=O)N(C)N=C1C 675055051 538448486 /nfs/dbraw/zinc/44/84/86/538448486.db2.gz YAEITYOCWWLNHT-UHFFFAOYSA-N 0 0 168.240 1.777 10 0 ADAERN CCC(=O)NCCC1CC=CC1 675054368 538448622 /nfs/dbraw/zinc/44/86/22/538448622.db2.gz VDKUFDJUSUONMC-UHFFFAOYSA-N 0 0 167.252 1.869 10 0 ADAERN Cc1noc(C(C)(C)C)c1CO 675055911 538448749 /nfs/dbraw/zinc/44/87/49/538448749.db2.gz CVYUFBPPFNIZLE-UHFFFAOYSA-N 0 0 169.224 1.773 10 0 ADAERN Cc1sc(C=O)c(C)c1C=O 675055502 538448875 /nfs/dbraw/zinc/44/88/75/538448875.db2.gz UKFGIJAGULYKAD-UHFFFAOYSA-N 0 0 168.217 1.990 10 0 ADAERN Cc1[n-]n(C)c(=O)c1[C@H]([NH3+])CC(C)C 675054898 538448853 /nfs/dbraw/zinc/44/88/53/538448853.db2.gz WCLRAGFDUXOMQZ-MRVPVSSYSA-N 0 0 197.282 1.480 10 0 ADAERN O=C([O-])CC1(C2CC2)CC[NH2+]CC1 675055187 538448871 /nfs/dbraw/zinc/44/88/71/538448871.db2.gz ZAFYZGNDSHWZDG-UHFFFAOYSA-N 0 0 183.251 1.241 10 0 ADAERN Cc1[n-]n(C)c(=O)c1[C@@H]([NH3+])CC(C)C 675054899 538448946 /nfs/dbraw/zinc/44/89/46/538448946.db2.gz WCLRAGFDUXOMQZ-QMMMGPOBSA-N 0 0 197.282 1.480 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](C2CCCC2)C[NH2+]1 675059384 538449048 /nfs/dbraw/zinc/44/90/48/538449048.db2.gz HAZPCRPHTKOLCY-VHSXEESVSA-N 0 0 197.278 1.629 10 0 ADAERN CC(C)N(C)Cc1nn(C)cc1C=O 675054902 538449005 /nfs/dbraw/zinc/44/90/05/538449005.db2.gz WKILAFFRMCANBX-UHFFFAOYSA-N 0 0 195.266 1.073 10 0 ADAERN OC[C@@H]1C[C@H](c2ccccc2F)CO1 675058537 538449134 /nfs/dbraw/zinc/44/91/34/538449134.db2.gz KPDQZQXOZLBNLH-IUCAKERBSA-N 0 0 196.221 1.691 10 0 ADAERN Cc1ccccc1[C@@H]1CO[C@H](CO)C1 675058859 538449092 /nfs/dbraw/zinc/44/90/92/538449092.db2.gz ZAAZAVWAPHATHL-QWRGUYRKSA-N 0 0 192.258 1.860 10 0 ADAERN OC[C@H]1C[C@@H](c2ccc(F)cc2)CO1 675058886 538449099 /nfs/dbraw/zinc/44/90/99/538449099.db2.gz ZUTPILFYTQSBGX-MWLCHTKSSA-N 0 0 196.221 1.691 10 0 ADAERN C[C@@H]1OC[C@H](C(F)(F)F)[C@H]1CO 675056195 538449135 /nfs/dbraw/zinc/44/91/35/538449135.db2.gz LMJDLZWUCNRFSP-ZLUOBGJFSA-N 0 0 184.157 1.192 10 0 ADAERN OC[C@@H]1C[C@@H](c2ccc(F)cc2)CO1 675058884 538449111 /nfs/dbraw/zinc/44/91/11/538449111.db2.gz ZUTPILFYTQSBGX-KOLCDFICSA-N 0 0 196.221 1.691 10 0 ADAERN Cc1cccc([C@H]2CO[C@@H](CO)C2)c1 675058391 538449126 /nfs/dbraw/zinc/44/91/26/538449126.db2.gz DANPEZDIBPKRGS-VXGBXAGGSA-N 0 0 192.258 1.860 10 0 ADAERN COCCCOc1ccc(C=O)o1 675057634 538449127 /nfs/dbraw/zinc/44/91/27/538449127.db2.gz GHTUOILZJONIOI-UHFFFAOYSA-N 0 0 184.191 1.507 10 0 ADAERN NC(=S)c1nc2ccc(F)cc2o1 675057478 538449176 /nfs/dbraw/zinc/44/91/76/538449176.db2.gz CRDWYUPFQHNXFB-UHFFFAOYSA-N 0 0 196.206 1.601 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](C2CCCC2)C[NH2+]1 675059383 538449208 /nfs/dbraw/zinc/44/92/08/538449208.db2.gz HAZPCRPHTKOLCY-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](C2CCCC2)C[NH2+]1 675059382 538449266 /nfs/dbraw/zinc/44/92/66/538449266.db2.gz HAZPCRPHTKOLCY-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN OC[C@@H]1C[C@@H](c2ccccc2F)CO1 675058536 538449297 /nfs/dbraw/zinc/44/92/97/538449297.db2.gz KPDQZQXOZLBNLH-BDAKNGLRSA-N 0 0 196.221 1.691 10 0 ADAERN OC[C@@H]1C[C@H](c2ccc(F)cc2)CO1 675058888 538449344 /nfs/dbraw/zinc/44/93/44/538449344.db2.gz ZUTPILFYTQSBGX-ONGXEEELSA-N 0 0 196.221 1.691 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](C2CCCC2)C[NH2+]1 675059385 538449351 /nfs/dbraw/zinc/44/93/51/538449351.db2.gz HAZPCRPHTKOLCY-ZJUUUORDSA-N 0 0 197.278 1.629 10 0 ADAERN COC(=O)c1cn(C(C)(C)C)nc1N 675057145 538449354 /nfs/dbraw/zinc/44/93/54/538449354.db2.gz WPOBEDWGDJVSKN-UHFFFAOYSA-N 0 0 197.238 1.007 10 0 ADAERN C[C@@H]1OC[C@H](C(F)(F)F)[C@@H]1CO 675056193 538449359 /nfs/dbraw/zinc/44/93/59/538449359.db2.gz LMJDLZWUCNRFSP-JKUQZMGJSA-N 0 0 184.157 1.192 10 0 ADAERN Cc1ccccc1[C@H]1CO[C@@H](CO)C1 675058857 538449466 /nfs/dbraw/zinc/44/94/66/538449466.db2.gz ZAAZAVWAPHATHL-GHMZBOCLSA-N 0 0 192.258 1.860 10 0 ADAERN Cc1cccc([C@@H]2CO[C@H](CO)C2)c1 675058390 538449507 /nfs/dbraw/zinc/44/95/07/538449507.db2.gz DANPEZDIBPKRGS-RYUDHWBXSA-N 0 0 192.258 1.860 10 0 ADAERN C[C@@H]1OC[C@@H](C(F)(F)F)[C@H]1CO 675056192 538449529 /nfs/dbraw/zinc/44/95/29/538449529.db2.gz LMJDLZWUCNRFSP-HCWXCVPCSA-N 0 0 184.157 1.192 10 0 ADAERN CO[C@H](C)CCOc1ccc(C=O)o1 675057935 538449576 /nfs/dbraw/zinc/44/95/76/538449576.db2.gz NPWJFDLINHYWDP-MRVPVSSYSA-N 0 0 198.218 1.896 10 0 ADAERN C[C@@H]1OC[C@@H](C(F)(F)F)[C@@H]1CO 675056194 538449570 /nfs/dbraw/zinc/44/95/70/538449570.db2.gz LMJDLZWUCNRFSP-KVQBGUIXSA-N 0 0 184.157 1.192 10 0 ADAERN CCCCn1cc(OC)c(C(C)=O)n1 675056527 538449646 /nfs/dbraw/zinc/44/96/46/538449646.db2.gz MELUSYFXTZHFPM-UHFFFAOYSA-N 0 0 196.250 1.894 10 0 ADAERN Nc1ccc(C2CC2)oc1=O 675062599 538450102 /nfs/dbraw/zinc/45/01/02/538450102.db2.gz IYJSXTNIDLDQAY-UHFFFAOYSA-N 0 0 151.165 1.099 10 0 ADAERN CN(c1cncc(F)c1C=O)C1CC1 675063350 538450314 /nfs/dbraw/zinc/45/03/14/538450314.db2.gz COLXTIBVPZVBTP-UHFFFAOYSA-N 0 0 194.209 1.632 10 0 ADAERN C[C@H]1CN(c2ncc(C=O)cn2)[C@@H]1C 675063737 538450316 /nfs/dbraw/zinc/45/03/16/538450316.db2.gz MYKOCZMNAXDSEF-JGVFFNPUSA-N 0 0 191.234 1.134 10 0 ADAERN O=Cc1c(F)cncc1N1CCCC1 675063895 538450322 /nfs/dbraw/zinc/45/03/22/538450322.db2.gz RZUWILMJWOIVAG-UHFFFAOYSA-N 0 0 194.209 1.633 10 0 ADAERN Cc1cnc(Cl)c2cncnc12 675063896 538450341 /nfs/dbraw/zinc/45/03/41/538450341.db2.gz SADYIVMOCAMUER-UHFFFAOYSA-N 0 0 179.610 1.987 10 0 ADAERN CCOC(=O)C=C(N)C1(C)CC1 675064220 538450352 /nfs/dbraw/zinc/45/03/52/538450352.db2.gz XTICFIJXZSREKE-SREVYHEPSA-N 0 0 169.224 1.192 10 0 ADAERN CCC1CN(c2ncccc2C=O)C1 675064516 538450363 /nfs/dbraw/zinc/45/03/63/538450363.db2.gz MLNYJGYDNOLHFS-UHFFFAOYSA-N 0 0 190.246 1.740 10 0 ADAERN C[C@@H]1CCN1c1cncc(F)c1C=O 675063584 538450364 /nfs/dbraw/zinc/45/03/64/538450364.db2.gz JCEGBGUHWNDHNW-SSDOTTSWSA-N 0 0 194.209 1.632 10 0 ADAERN O=Cc1ccc(N2CC[C@@H]3C[C@@H]3C2)o1 675063964 538450374 /nfs/dbraw/zinc/45/03/74/538450374.db2.gz BDPJRUMQGOEQQT-RKDXNWHRSA-N 0 0 191.230 1.938 10 0 ADAERN Cc1cc(C=O)cnc1N1CC[C@@H]1C 675064201 538450381 /nfs/dbraw/zinc/45/03/81/538450381.db2.gz XJZORKZFFYAVOI-VIFPVBQESA-N 0 0 190.246 1.801 10 0 ADAERN CN(c1ccc(C=O)nc1)C1CC1 675064443 538450382 /nfs/dbraw/zinc/45/03/82/538450382.db2.gz KCDLKEUYNCILQW-UHFFFAOYSA-N 0 0 176.219 1.493 10 0 ADAERN Cc1c[nH]c(=O)c2cncnc12 675063686 538450385 /nfs/dbraw/zinc/45/03/85/538450385.db2.gz KPFWLZCGZQTKEI-UHFFFAOYSA-N 0 0 161.164 1.039 10 0 ADAERN CCC1CN(c2ccc(C=O)o2)C1 675063957 538450390 /nfs/dbraw/zinc/45/03/90/538450390.db2.gz ALDRUWXETRFLRG-UHFFFAOYSA-N 0 0 179.219 1.938 10 0 ADAERN C[C@H]1CCN1c1cncc(F)c1C=O 675063585 538450392 /nfs/dbraw/zinc/45/03/92/538450392.db2.gz JCEGBGUHWNDHNW-ZETCQYMHSA-N 0 0 194.209 1.632 10 0 ADAERN O=Cc1ccc(N2CC[C@@H](CF)C2)o1 675064431 538450394 /nfs/dbraw/zinc/45/03/94/538450394.db2.gz JPAFJQGPMRAJKO-QMMMGPOBSA-N 0 0 197.209 1.888 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncccc1C=O 675063992 538450396 /nfs/dbraw/zinc/45/03/96/538450396.db2.gz DUTNWRIQFYZZFS-BDAKNGLRSA-N 0 0 190.246 1.739 10 0 ADAERN CC(C)N(C)c1cncc(F)c1C=O 675063832 538450414 /nfs/dbraw/zinc/45/04/14/538450414.db2.gz PPJADLKGVNIZEG-UHFFFAOYSA-N 0 0 196.225 1.878 10 0 ADAERN CCCc1c[nH]c(=O)c2cncnc12 675064132 538450269 /nfs/dbraw/zinc/45/02/69/538450269.db2.gz WDOPKVPPJDBXBK-UHFFFAOYSA-N 0 0 189.218 1.683 10 0 ADAERN Cc1cc(C=O)cnc1N1CC[C@H]1C 675064199 538450277 /nfs/dbraw/zinc/45/02/77/538450277.db2.gz XJZORKZFFYAVOI-SECBINFHSA-N 0 0 190.246 1.801 10 0 ADAERN C[C@@H]1CN(c2ncc(C=O)cn2)[C@@H]1C 675063736 538450282 /nfs/dbraw/zinc/45/02/82/538450282.db2.gz MYKOCZMNAXDSEF-HTQZYQBOSA-N 0 0 191.234 1.134 10 0 ADAERN C[C@H]1CN(c2ncccc2C=O)[C@@H]1C 675063993 538450439 /nfs/dbraw/zinc/45/04/39/538450439.db2.gz DUTNWRIQFYZZFS-DTWKUNHWSA-N 0 0 190.246 1.739 10 0 ADAERN CCN(C)c1ccc(C=O)nc1 675063948 538450469 /nfs/dbraw/zinc/45/04/69/538450469.db2.gz AEFBHXRAZCMIJC-UHFFFAOYSA-N 0 0 164.208 1.350 10 0 ADAERN O=Cc1ccc(N2CC[C@H](F)C2)cn1 675064064 538450503 /nfs/dbraw/zinc/45/05/03/538450503.db2.gz IBTQGRALDHVIFB-QMMMGPOBSA-N 0 0 194.209 1.442 10 0 ADAERN CC1(C)CCN1c1ncccc1C=O 675063983 538450529 /nfs/dbraw/zinc/45/05/29/538450529.db2.gz CXWPPJHWYZCVCV-UHFFFAOYSA-N 0 0 190.246 1.883 10 0 ADAERN O=Cc1c(F)cncc1N1CC=CC1 675064364 538450531 /nfs/dbraw/zinc/45/05/31/538450531.db2.gz YPGHZFDEZIVPBL-UHFFFAOYSA-N 0 0 192.193 1.409 10 0 ADAERN C[C@H]1CN(c2ncccc2C=O)[C@H]1C 675063994 538450550 /nfs/dbraw/zinc/45/05/50/538450550.db2.gz DUTNWRIQFYZZFS-IUCAKERBSA-N 0 0 190.246 1.739 10 0 ADAERN CCCc1cnc(N)c2cncnc12 675063525 538450575 /nfs/dbraw/zinc/45/05/75/538450575.db2.gz GZQTVBUUNJWMKB-UHFFFAOYSA-N 0 0 188.234 1.560 10 0 ADAERN CCN(C)c1cncc(F)c1C=O 675063849 538450605 /nfs/dbraw/zinc/45/06/05/538450605.db2.gz QEZFXMNRTUWEQS-UHFFFAOYSA-N 0 0 182.198 1.489 10 0 ADAERN O=Cc1ccc(N2CC[C@@H]3C[C@@H]32)cn1 675063818 538450610 /nfs/dbraw/zinc/45/06/10/538450610.db2.gz PJDHSVNHCHSNRR-KCJUWKMLSA-N 0 0 188.230 1.493 10 0 ADAERN C[C@@H]1CN(c2ncccc2C=O)[C@@H]1C 675063995 538450622 /nfs/dbraw/zinc/45/06/22/538450622.db2.gz DUTNWRIQFYZZFS-RKDXNWHRSA-N 0 0 190.246 1.739 10 0 ADAERN O=Cc1ccc(N2CC[C@@H](F)C2)cn1 675064063 538450685 /nfs/dbraw/zinc/45/06/85/538450685.db2.gz IBTQGRALDHVIFB-MRVPVSSYSA-N 0 0 194.209 1.442 10 0 ADAERN CCc1cnc(N)c2cncnc12 675063288 538450694 /nfs/dbraw/zinc/45/06/94/538450694.db2.gz AUCBKFSKWNHOFK-UHFFFAOYSA-N 0 0 174.207 1.169 10 0 ADAERN O=Cc1ccc(N2CC[C@H]3C[C@H]3C2)o1 675063963 538450703 /nfs/dbraw/zinc/45/07/03/538450703.db2.gz BDPJRUMQGOEQQT-IUCAKERBSA-N 0 0 191.230 1.938 10 0 ADAERN O=Cc1ccc(N2C[C@@H]3C[C@H]2CO3)o1 675063716 538450727 /nfs/dbraw/zinc/45/07/27/538450727.db2.gz LZIFRUIYNHTPQZ-CBAPKCEASA-N 0 0 193.202 1.070 10 0 ADAERN Nc1ccc(C(F)(F)F)oc1=O 675062974 538450732 /nfs/dbraw/zinc/45/07/32/538450732.db2.gz VRDKZJGHRMRFQX-UHFFFAOYSA-N 0 0 179.097 1.241 10 0 ADAERN C[C@H]1CN(c2ncc(C=O)cn2)[C@H]1C 675063739 538450757 /nfs/dbraw/zinc/45/07/57/538450757.db2.gz MYKOCZMNAXDSEF-YUMQZZPRSA-N 0 0 191.234 1.134 10 0 ADAERN O=Cc1ccc(N2CC[C@H]3C[C@H]32)cn1 675063817 538450772 /nfs/dbraw/zinc/45/07/72/538450772.db2.gz PJDHSVNHCHSNRR-GZMMTYOYSA-N 0 0 188.230 1.493 10 0 ADAERN CC1CN(c2cncc(F)c2C=O)C1 675063750 538450774 /nfs/dbraw/zinc/45/07/74/538450774.db2.gz NNPYQUXTYJSHQA-UHFFFAOYSA-N 0 0 194.209 1.489 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncc(C=O)cn1 675063738 538450785 /nfs/dbraw/zinc/45/07/85/538450785.db2.gz MYKOCZMNAXDSEF-SFYZADRCSA-N 0 0 191.234 1.134 10 0 ADAERN O=Cc1c(F)cncc1N1CCC1 675064337 538450793 /nfs/dbraw/zinc/45/07/93/538450793.db2.gz YDWPCLFOYUDXCI-UHFFFAOYSA-N 0 0 180.182 1.243 10 0 ADAERN CCc1c[nH]c(=O)c2cncnc12 675063814 538450795 /nfs/dbraw/zinc/45/07/95/538450795.db2.gz PGKBCOVGULIWBY-UHFFFAOYSA-N 0 0 175.191 1.293 10 0 ADAERN O=Cc1cccnc1N1CC[C@@H]2C[C@@H]21 675064772 538450883 /nfs/dbraw/zinc/45/08/83/538450883.db2.gz SMHUJOIXHZDBEB-SCZZXKLOSA-N 0 0 188.230 1.493 10 0 ADAERN O=Cc1ccc(N2CC[C@@H]3C[C@@H]32)nc1 675064683 538450887 /nfs/dbraw/zinc/45/08/87/538450887.db2.gz PBWGSUQXRQDGMB-ZJUUUORDSA-N 0 0 188.230 1.493 10 0 ADAERN O=Cc1cccnc1N1CC[C@H]2C[C@H]21 675064773 538450889 /nfs/dbraw/zinc/45/08/89/538450889.db2.gz SMHUJOIXHZDBEB-WCBMZHEXSA-N 0 0 188.230 1.493 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ccc(C=O)cn1 675064814 538450890 /nfs/dbraw/zinc/45/08/90/538450890.db2.gz UHEUIVOBOOSZBC-BDAKNGLRSA-N 0 0 190.246 1.739 10 0 ADAERN O=Cc1cccnc1N1CC[C@@H](F)C1 675064539 538450893 /nfs/dbraw/zinc/45/08/93/538450893.db2.gz NEAZYSCFOBDWMI-SECBINFHSA-N 0 0 194.209 1.442 10 0 ADAERN O=Cc1ccc(N2C[C@@H]3CC[C@H]3C2)o1 675064806 538450898 /nfs/dbraw/zinc/45/08/98/538450898.db2.gz UCQZUCIAKOJQOI-IUCAKERBSA-N 0 0 191.230 1.938 10 0 ADAERN CCC1CN(c2ccc(C=O)cn2)C1 675064699 538450899 /nfs/dbraw/zinc/45/08/99/538450899.db2.gz PNVNMTBTBJCKHV-UHFFFAOYSA-N 0 0 190.246 1.740 10 0 ADAERN C[C@@H]1CN(c2ccc(C=O)cn2)[C@@H]1C 675064818 538450905 /nfs/dbraw/zinc/45/09/05/538450905.db2.gz UHEUIVOBOOSZBC-RKDXNWHRSA-N 0 0 190.246 1.739 10 0 ADAERN O=Cc1ccc(N2C[C@H]3C[C@H]3C2)cn1 675064532 538450909 /nfs/dbraw/zinc/45/09/09/538450909.db2.gz NCAVWSKDRWIZBX-DTORHVGOSA-N 0 0 188.230 1.350 10 0 ADAERN CC1(C)CCN1c1ccc(C=O)cn1 675064752 538450912 /nfs/dbraw/zinc/45/09/12/538450912.db2.gz RQUMZOJQCACLBQ-UHFFFAOYSA-N 0 0 190.246 1.883 10 0 ADAERN O=Cc1ccc(N2CC[C@H]3C[C@H]32)nc1 675064681 538450913 /nfs/dbraw/zinc/45/09/13/538450913.db2.gz PBWGSUQXRQDGMB-VHSXEESVSA-N 0 0 188.230 1.493 10 0 ADAERN O=Cc1ccc(N2CC[C@@H](F)C2)nc1 675064731 538450917 /nfs/dbraw/zinc/45/09/17/538450917.db2.gz QXWQOPOWZWINPM-SECBINFHSA-N 0 0 194.209 1.442 10 0 ADAERN C[C@H]1CN(c2ccc(C=O)cn2)[C@H]1C 675064817 538450923 /nfs/dbraw/zinc/45/09/23/538450923.db2.gz UHEUIVOBOOSZBC-IUCAKERBSA-N 0 0 190.246 1.739 10 0 ADAERN O=Cc1ccc(N2CC[C@H](F)C2)nc1 675064734 538450937 /nfs/dbraw/zinc/45/09/37/538450937.db2.gz QXWQOPOWZWINPM-VIFPVBQESA-N 0 0 194.209 1.442 10 0 ADAERN O=Cc1ccc(N2C[C@H]3CC[C@H]3C2)o1 675064805 538450939 /nfs/dbraw/zinc/45/09/39/538450939.db2.gz UCQZUCIAKOJQOI-DTORHVGOSA-N 0 0 191.230 1.938 10 0 ADAERN C[C@H]1CN(c2ccc(C=O)cn2)[C@@H]1C 675064816 538450949 /nfs/dbraw/zinc/45/09/49/538450949.db2.gz UHEUIVOBOOSZBC-DTWKUNHWSA-N 0 0 190.246 1.739 10 0 ADAERN O=Cc1cccnc1N1CC[C@H](F)C1 675064542 538450959 /nfs/dbraw/zinc/45/09/59/538450959.db2.gz NEAZYSCFOBDWMI-VIFPVBQESA-N 0 0 194.209 1.442 10 0 ADAERN O=Cc1ccc(N2CC=CCC2)cn1 675064828 538450965 /nfs/dbraw/zinc/45/09/65/538450965.db2.gz UPTDAMMDGYDOPI-UHFFFAOYSA-N 0 0 188.230 1.660 10 0 ADAERN CC1(C)CCN1c1ccc(C=O)nc1 675064955 538450972 /nfs/dbraw/zinc/45/09/72/538450972.db2.gz YABFYQOFTONUGX-UHFFFAOYSA-N 0 0 190.246 1.883 10 0 ADAERN CCC1CN(c2ncc(C=O)cn2)C1 675064547 538450975 /nfs/dbraw/zinc/45/09/75/538450975.db2.gz NKNOZCYXOLTQGP-UHFFFAOYSA-N 0 0 191.234 1.135 10 0 ADAERN CC1(C)CCN1c1ncc(C=O)cn1 675064741 538450976 /nfs/dbraw/zinc/45/09/76/538450976.db2.gz REZNKPZCOQRLDI-UHFFFAOYSA-N 0 0 191.234 1.278 10 0 ADAERN O=Cc1ccc(N2C[C@H]3CC[C@@H]3C2)o1 675064807 538450977 /nfs/dbraw/zinc/45/09/77/538450977.db2.gz UCQZUCIAKOJQOI-RKDXNWHRSA-N 0 0 191.230 1.938 10 0 ADAERN COCCNC(=O)c1csc(C)c1 144047098 541306534 /nfs/dbraw/zinc/30/65/34/541306534.db2.gz JATUWJGIGJAOLG-UHFFFAOYSA-N 0 0 199.275 1.433 10 0 ADAERN Cc1coc(-c2cccc(N)n2)n1 142264035 541305770 /nfs/dbraw/zinc/30/57/70/541305770.db2.gz YBRPBSRKUCCHJE-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCc1ccccc1NCC(=O)NC 20053920 541301547 /nfs/dbraw/zinc/30/15/47/541301547.db2.gz MXUBAUXBPRQAII-UHFFFAOYSA-N 0 0 192.262 1.407 10 0 ADAERN Cc1c(Cl)cnn1CC[C@H](C)O 70704151 541302605 /nfs/dbraw/zinc/30/26/05/541302605.db2.gz XXGREFNOXOTORE-LURJTMIESA-N 0 0 188.658 1.616 10 0 ADAERN Cc1cc(F)ccc1-n1ccnn1 142172309 541305396 /nfs/dbraw/zinc/30/53/96/541305396.db2.gz DWVZAOVHUVSQSO-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN Cc1cccc2c(=O)[nH]sc12 141691907 541305435 /nfs/dbraw/zinc/30/54/35/541305435.db2.gz RWQJMHMLXGWMRS-UHFFFAOYSA-N 0 0 165.217 1.898 10 0 ADAERN CCc1cnc(Cl)o1 142186168 541305563 /nfs/dbraw/zinc/30/55/63/541305563.db2.gz HWISPMXQFLPGJQ-UHFFFAOYSA-N 0 0 131.562 1.890 10 0 ADAERN Cc1ccc2c(N)nc(C)nc2c1 142777786 541305732 /nfs/dbraw/zinc/30/57/32/541305732.db2.gz QHHOZTBSTMNHCS-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN C=Cc1cn[nH]c1 141795542 541305966 /nfs/dbraw/zinc/30/59/66/541305966.db2.gz UMRPGBHVNGOFMG-UHFFFAOYSA-N 0 0 94.117 1.053 10 0 ADAERN Cc1nn(C)cc1-c1ccccn1 144260133 541306449 /nfs/dbraw/zinc/30/64/49/541306449.db2.gz OXMDIKUJPYTJDG-UHFFFAOYSA-N 0 0 173.219 1.791 10 0 ADAERN c1cc(-c2nc(C3CC3)no2)cnn1 144761178 541307008 /nfs/dbraw/zinc/30/70/08/541307008.db2.gz HMADBJPXJDFRAT-UHFFFAOYSA-N 0 0 188.190 1.404 10 0 ADAERN CC(C)C1CN(C(=O)c2cn[nH]c2)C1 144185138 541307314 /nfs/dbraw/zinc/30/73/14/541307314.db2.gz CZINFXRPXMHHOW-UHFFFAOYSA-N 0 0 193.250 1.138 10 0 ADAERN CC(=O)N1CC(C(C)C)C1 144700781 541307366 /nfs/dbraw/zinc/30/73/66/541307366.db2.gz BZTNGHNTUGFGAT-UHFFFAOYSA-N 0 0 141.214 1.121 10 0 ADAERN CN(c1ncccn1)C1CCOCC1 144657270 541307564 /nfs/dbraw/zinc/30/75/64/541307564.db2.gz DBISCMKVMGURKU-UHFFFAOYSA-N 0 0 193.250 1.092 10 0 ADAERN C[C@@H](CO)N(C)C(=O)CC1CCCC1 158799008 541309888 /nfs/dbraw/zinc/30/98/88/541309888.db2.gz SQZLZBNMMABMNS-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN 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541315716 /nfs/dbraw/zinc/31/57/16/541315716.db2.gz VFTCERCNBBTRHO-UHFFFAOYSA-N 0 0 164.208 1.671 10 0 ADAERN Fc1ccc(-c2cn[nH]c2)cn1 215925178 541316602 /nfs/dbraw/zinc/31/66/02/541316602.db2.gz VLVIREJPDOLEMK-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Cn1nccc1-c1cc(C=O)cs1 219898890 541317590 /nfs/dbraw/zinc/31/75/90/541317590.db2.gz KAGCPDXXMKDXTD-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN COCCn1cc2ccc(N)cc2n1 219899133 541317672 /nfs/dbraw/zinc/31/76/72/541317672.db2.gz FKOKHDYNRYODRV-UHFFFAOYSA-N 0 0 191.234 1.265 10 0 ADAERN OCc1nc2ncccc2s1 219575352 541318369 /nfs/dbraw/zinc/31/83/69/541318369.db2.gz GLLCUDRZXNVCHX-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN CC(C)(C)c1cncnc1N 219822239 541318385 /nfs/dbraw/zinc/31/83/85/541318385.db2.gz WZKBFOGRMDTWPC-UHFFFAOYSA-N 0 0 151.213 1.356 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)CC 231691312 541322008 /nfs/dbraw/zinc/32/20/08/541322008.db2.gz WYBQWJIAAYFEQO-SFYZADRCSA-N 0 0 155.241 1.701 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)COCC 231691713 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/nfs/dbraw/zinc/32/19/39/541321939.db2.gz WYBQWJIAAYFEQO-JGVFFNPUSA-N 0 0 155.241 1.701 10 0 ADAERN CCC[C@H]1C[C@H]1NC(=O)c1cn[nH]c1 231691575 541321945 /nfs/dbraw/zinc/32/19/45/541321945.db2.gz LSPBQKBFHYTAKB-IONNQARKSA-N 0 0 193.250 1.328 10 0 ADAERN CCC[C@H]1C[C@H]1NC(=O)C(C)C 231692598 541321967 /nfs/dbraw/zinc/32/19/67/541321967.db2.gz GVOZAHAWWVTSNY-DTWKUNHWSA-N 0 0 169.268 1.947 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)CCC(C)=O 231695381 541321977 /nfs/dbraw/zinc/32/19/77/541321977.db2.gz WCQOENQFQMEULF-ZJUUUORDSA-N 0 0 197.278 1.660 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)NC1CC1 231649319 541322000 /nfs/dbraw/zinc/32/20/00/541322000.db2.gz DEAOXEYVGNMPKK-CBAPKCEASA-N 0 0 182.267 1.637 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)C(C)C 231692588 541322030 /nfs/dbraw/zinc/32/20/30/541322030.db2.gz GVOZAHAWWVTSNY-BDAKNGLRSA-N 0 0 169.268 1.947 10 0 ADAERN CCC[C@H]1C[C@H]1NC(=O)NC(C)C 231649289 541322036 /nfs/dbraw/zinc/32/20/36/541322036.db2.gz DRAJCAUILCFBQG-DTWKUNHWSA-N 0 0 184.283 1.883 10 0 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/nfs/dbraw/zinc/97/35/10/756973510.db2.gz FGOAGQOXCGVTAT-UHFFFAOYSA-N 0 0 145.202 1.531 10 0 ADAERN COC(=O)Nc1cccc2c1OCC2 82353862 756973968 /nfs/dbraw/zinc/97/39/68/756973968.db2.gz KEBTYIZLERIQGP-UHFFFAOYSA-N 0 0 193.202 1.800 10 0 ADAERN Cc1csc2nc(N)ncc12 74339165 756974064 /nfs/dbraw/zinc/97/40/64/756974064.db2.gz XPXNJMDINJTTBB-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN NC(=O)C/C=C/Cc1ccccc1 82050666 756974232 /nfs/dbraw/zinc/97/42/32/756974232.db2.gz GDDGLEJMOYJZSL-SNAWJCMRSA-N 0 0 175.231 1.661 10 0 ADAERN CCCNc1cc(C(=O)OC)ccn1 83342085 756975000 /nfs/dbraw/zinc/97/50/00/756975000.db2.gz DMAPMSWTSNFUMX-UHFFFAOYSA-N 0 0 194.234 1.690 10 0 ADAERN CCc1cc(Cl)nnc1N 83444124 756977200 /nfs/dbraw/zinc/97/72/00/756977200.db2.gz RXHWFBVEDHZUGB-UHFFFAOYSA-N 0 0 157.604 1.275 10 0 ADAERN CCCNc1cc(OC)nc(OC)n1 83342686 756977285 /nfs/dbraw/zinc/97/72/85/756977285.db2.gz SMQNSQWUWMOGFW-UHFFFAOYSA-N 0 0 197.238 1.316 10 0 ADAERN Nc1ccnn1-c1cccc(F)c1F 84929697 756978162 /nfs/dbraw/zinc/97/81/62/756978162.db2.gz GCRXAAHHXKFHTE-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN CC(C)COC(=O)NCC[C@@H](C)O 84869877 756978253 /nfs/dbraw/zinc/97/82/53/756978253.db2.gz WQRMQAJMEVEDAV-MRVPVSSYSA-N 0 0 189.255 1.140 10 0 ADAERN Cc1ccc(F)c(-n2cc(N)cn2)c1 84929719 756978869 /nfs/dbraw/zinc/97/88/69/756978869.db2.gz XIZMBRPPFUZLNT-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Nc1ccnn1-c1cc(F)cc(F)c1 84929713 756978900 /nfs/dbraw/zinc/97/89/00/756978900.db2.gz XXHZVQBYUPWKHW-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1ccnn1-c1c(F)cccc1F 84929699 756979092 /nfs/dbraw/zinc/97/90/92/756979092.db2.gz NHUZLFCIDADVST-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN CC(C)[C@H](CO)Nc1cccc(N)c1 86119957 756979169 /nfs/dbraw/zinc/97/91/69/756979169.db2.gz KWAWYYRXNJWHNL-NSHDSACASA-N 0 0 194.278 1.698 10 0 ADAERN CC(C)OC(=O)N[C@H](CO)C(C)C 86129310 756979528 /nfs/dbraw/zinc/97/95/28/756979528.db2.gz SYNPSCNZHDOVST-MRVPVSSYSA-N 0 0 189.255 1.138 10 0 ADAERN CC(C)COC(=O)NCC[C@H](C)O 84869878 756980294 /nfs/dbraw/zinc/98/02/94/756980294.db2.gz WQRMQAJMEVEDAV-QMMMGPOBSA-N 0 0 189.255 1.140 10 0 ADAERN Nc1cnn(-c2cccc(F)c2F)c1 84929720 756980463 /nfs/dbraw/zinc/98/04/63/756980463.db2.gz DMCWJZMSTMUINL-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN CC(C)OC(=O)N[C@@H](CO)C(C)C 86129314 756980620 /nfs/dbraw/zinc/98/06/20/756980620.db2.gz SYNPSCNZHDOVST-QMMMGPOBSA-N 0 0 189.255 1.138 10 0 ADAERN Cc1ccc(F)c(-n2nccc2N)c1 84929695 756980672 /nfs/dbraw/zinc/98/06/72/756980672.db2.gz SBDSGIFMIKCECB-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1cc2nc(N)ccc2[nH]1 96379359 756981191 /nfs/dbraw/zinc/98/11/91/756981191.db2.gz FUPLGFYQWSIWFC-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN CC(C)C[C@H](O)C(=O)N1CCCC1 90614570 756981399 /nfs/dbraw/zinc/98/13/99/756981399.db2.gz GPQKPSJPDLRDPO-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN CC[C@@H](C)OC(=O)NC(C)C 90133531 756981659 /nfs/dbraw/zinc/98/16/59/756981659.db2.gz KRUAXIDZNLAJOS-SSDOTTSWSA-N 0 0 159.229 1.920 10 0 ADAERN N#CNC(=O)c1nccc2ccccc12 92142470 756981847 /nfs/dbraw/zinc/98/18/47/756981847.db2.gz SKOBOBVDAAZZQX-UHFFFAOYSA-N 0 0 197.197 1.446 10 0 ADAERN Cc1cc(O)ccc1C(=O)N(C)C 95711559 756981954 /nfs/dbraw/zinc/98/19/54/756981954.db2.gz PSRKVLMYGKAQQO-UHFFFAOYSA-N 0 0 179.219 1.402 10 0 ADAERN CC(=O)O[C@@H]1Cc2ccc(N)cc2C1 95629103 756981968 /nfs/dbraw/zinc/98/19/68/756981968.db2.gz SYCDOUXQGDYZFL-LLVKDONJSA-N 0 0 191.230 1.299 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)COCC 88442371 756982237 /nfs/dbraw/zinc/98/22/37/756982237.db2.gz BGXBJJIUPXLIAH-JQTRYQTASA-N 0 0 171.240 1.104 10 0 ADAERN CC[C@H](C)OC(=O)NC(C)C 90133532 756982764 /nfs/dbraw/zinc/98/27/64/756982764.db2.gz KRUAXIDZNLAJOS-ZETCQYMHSA-N 0 0 159.229 1.920 10 0 ADAERN C/C=C\C(=O)NCCCCC 90191163 756983034 /nfs/dbraw/zinc/98/30/34/756983034.db2.gz GLHZGNVPESIEFA-DAXSKMNVSA-N 0 0 155.241 1.869 10 0 ADAERN CC(=O)O[C@H]1Cc2ccc(N)cc2C1 95629104 756983237 /nfs/dbraw/zinc/98/32/37/756983237.db2.gz SYCDOUXQGDYZFL-NSHDSACASA-N 0 0 191.230 1.299 10 0 ADAERN CCc1cnc(Cl)nc1N 96135590 756983919 /nfs/dbraw/zinc/98/39/19/756983919.db2.gz HPSFHLBPJPLZTG-UHFFFAOYSA-N 0 0 157.604 1.275 10 0 ADAERN Cn1cc(C(=O)NC#N)c2ccccc21 92142508 756984519 /nfs/dbraw/zinc/98/45/19/756984519.db2.gz UFIGZSJEIBJZNZ-UHFFFAOYSA-N 0 0 199.213 1.389 10 0 ADAERN CCC(=O)N1CCC[C@@H]1C(C)(C)OC 90412656 756985380 /nfs/dbraw/zinc/98/53/80/756985380.db2.gz RDPDWOAMTZFMDO-SECBINFHSA-N 0 0 199.294 1.812 10 0 ADAERN Nc1nc(Cl)ncc1C1CC1 96135593 756985566 /nfs/dbraw/zinc/98/55/66/756985566.db2.gz VSEIJSDKUVLCKT-UHFFFAOYSA-N 0 0 169.615 1.590 10 0 ADAERN NC(=O)/C=C\C1CCCC1 114041623 756987069 /nfs/dbraw/zinc/98/70/69/756987069.db2.gz ZCYSDMLEDDQAEV-WAYWQWQTSA-N 0 0 139.198 1.218 10 0 ADAERN C/C=C/C(=O)NC[C@H](C)C1CC1 135350785 756989976 /nfs/dbraw/zinc/98/99/76/756989976.db2.gz FWNXKEWUFCLEGO-RTMURIBGSA-N 0 0 167.252 1.725 10 0 ADAERN C/C=C/C(=O)NC[C@@H](C)C1CC1 135350765 756990655 /nfs/dbraw/zinc/99/06/55/756990655.db2.gz FWNXKEWUFCLEGO-MPJRPATESA-N 0 0 167.252 1.725 10 0 ADAERN CCN(CC)C(=O)C=Cc1c[nH]cn1 141935154 756992080 /nfs/dbraw/zinc/99/20/80/756992080.db2.gz STGRKOVPEWPNGP-AATRIKPKSA-N 0 0 193.250 1.291 10 0 ADAERN CN(C(=O)C(C)(C)O)C(C)(C)C 141242564 756992678 /nfs/dbraw/zinc/99/26/78/756992678.db2.gz VCHXROAVHVDPDW-UHFFFAOYSA-N 0 0 173.256 1.014 10 0 ADAERN N#CNC(=O)c1cnc2ccccc2c1 147490388 756993381 /nfs/dbraw/zinc/99/33/81/756993381.db2.gz GBKJMYJJEVRUMV-UHFFFAOYSA-N 0 0 197.197 1.446 10 0 ADAERN CCCNc1ncnc(Cl)n1 148628624 756993437 /nfs/dbraw/zinc/99/34/37/756993437.db2.gz ADACKSQEYGBGJM-UHFFFAOYSA-N 0 0 172.619 1.347 10 0 ADAERN Cc1cc2c(cc1N)CC(=O)N2 148343237 756993555 /nfs/dbraw/zinc/99/35/55/756993555.db2.gz KDRFLHKLISWRJG-UHFFFAOYSA-N 0 0 162.192 1.072 10 0 ADAERN c1ncc(Nc2cncnc2)cn1 149909444 756993610 /nfs/dbraw/zinc/99/36/10/756993610.db2.gz FMHULGODCJDEFX-UHFFFAOYSA-N 0 0 173.179 1.010 10 0 ADAERN c1coc(CN2CCCC2)n1 150318278 756994106 /nfs/dbraw/zinc/99/41/06/756994106.db2.gz WQGYATXZGSFMHL-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN Nc1cccc2c1CCC21OCCO1 148429504 756994395 /nfs/dbraw/zinc/99/43/95/756994395.db2.gz YTIXVEXTOSQPPZ-UHFFFAOYSA-N 0 0 191.230 1.415 10 0 ADAERN FC(F)CNc1nccnc1Cl 147999894 756995244 /nfs/dbraw/zinc/99/52/44/756995244.db2.gz HUQKEMSZFWRJKB-UHFFFAOYSA-N 0 0 193.584 1.807 10 0 ADAERN Nc1cccc(NCC(F)F)c1 147233161 756995279 /nfs/dbraw/zinc/99/52/79/756995279.db2.gz CQRPECBNWKUFOG-UHFFFAOYSA-N 0 0 172.178 1.946 10 0 ADAERN Cc1cc(Nc2ccccn2)n(C)n1 149856869 756995555 /nfs/dbraw/zinc/99/55/55/756995555.db2.gz VTPJQTCCRNUKGV-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Fc1ccc(NCC(F)F)nc1 147885513 756995903 /nfs/dbraw/zinc/99/59/03/756995903.db2.gz YKFNIKVIOBXGSP-UHFFFAOYSA-N 0 0 176.141 1.898 10 0 ADAERN Cc1cc(N(C)C)nc(C(C)C)n1 147157001 756996196 /nfs/dbraw/zinc/99/61/96/756996196.db2.gz TVBIGPQBWZLQJI-UHFFFAOYSA-N 0 0 179.267 1.974 10 0 ADAERN COC(=O)c1cccc(N2CCC2)n1 149539184 756997661 /nfs/dbraw/zinc/99/76/61/756997661.db2.gz FLCGPKIFAREJGF-UHFFFAOYSA-N 0 0 192.218 1.078 10 0 ADAERN Nc1ccc(NCC(F)F)cn1 147233364 756998302 /nfs/dbraw/zinc/99/83/02/756998302.db2.gz UEOKRHJPNFXKAL-UHFFFAOYSA-N 0 0 173.166 1.341 10 0 ADAERN Nc1ccc(C2=NC(=S)NC2)cc1 147634897 756998414 /nfs/dbraw/zinc/99/84/14/756998414.db2.gz IUSXUEPVWBVITQ-UHFFFAOYSA-N 0 0 191.259 1.948 10 0 ADAERN Nc1cccc(C2COC2)c1 149234160 756998841 /nfs/dbraw/zinc/99/88/41/756998841.db2.gz XNLQADAFMDCAAK-UHFFFAOYSA-N 0 0 149.193 1.383 10 0 ADAERN CC=CC=CC(=O)Nc1n[nH]cc1C 157190661 757000569 /nfs/dbraw/zinc/00/05/69/757000569.db2.gz RAPRRNZMWWHBBG-VNKDHWASSA-N 0 0 191.234 1.789 10 0 ADAERN COC(C)(C)CNc1cncc(N)c1 159423898 757001223 /nfs/dbraw/zinc/00/12/23/757001223.db2.gz CNBUIAVSHBKWHQ-UHFFFAOYSA-N 0 0 195.266 1.501 10 0 ADAERN CCCCNc1ccc(N)nn1 159797697 757001524 /nfs/dbraw/zinc/00/15/24/757001524.db2.gz KAVRWPJJNKCBIB-UHFFFAOYSA-N 0 0 166.228 1.271 10 0 ADAERN COC(C)(C)CNc1ccncn1 159263747 757001806 /nfs/dbraw/zinc/00/18/06/757001806.db2.gz UVDJNYJYODUACU-UHFFFAOYSA-N 0 0 181.239 1.314 10 0 ADAERN OCCSC1CCC1 161206997 757003003 /nfs/dbraw/zinc/00/30/03/757003003.db2.gz GCTLKFUXIXPBSG-UHFFFAOYSA-N 0 0 132.228 1.264 10 0 ADAERN CCCCNC(=S)N(C)C1CC1 164179225 757004269 /nfs/dbraw/zinc/00/42/69/757004269.db2.gz KMYXTSRVKZNEGQ-UHFFFAOYSA-N 0 0 186.324 1.755 10 0 ADAERN CCN(C(=S)NC1CC1)C(C)C 164181837 757004457 /nfs/dbraw/zinc/00/44/57/757004457.db2.gz FEXJHMFCMKREEG-UHFFFAOYSA-N 0 0 186.324 1.754 10 0 ADAERN CCN(C)C(=S)NC1CCCC1 164178336 757004745 /nfs/dbraw/zinc/00/47/45/757004745.db2.gz QGBZVLYJJBYMCS-UHFFFAOYSA-N 0 0 186.324 1.755 10 0 ADAERN CC[C@@H](C)CNC(=S)NC(C)C 164308868 757004666 /nfs/dbraw/zinc/00/46/66/757004666.db2.gz OYGJWZWCAFAORP-MRVPVSSYSA-N 0 0 188.340 1.905 10 0 ADAERN CCCNC(=S)NC[C@H](C)CC 164307136 757004829 /nfs/dbraw/zinc/00/48/29/757004829.db2.gz XXLJVLXJGZGMAY-MRVPVSSYSA-N 0 0 188.340 1.907 10 0 ADAERN O=C(NCc1cncs1)NC1CC1 164549160 757007430 /nfs/dbraw/zinc/00/74/30/757007430.db2.gz UMTFXLUYZXAYJU-UHFFFAOYSA-N 0 0 197.263 1.105 10 0 ADAERN CCCCCN(C)C(=S)NC 164188236 757006078 /nfs/dbraw/zinc/00/60/78/757006078.db2.gz GHRQWPQYEKDZSO-UHFFFAOYSA-N 0 0 174.313 1.613 10 0 ADAERN C=CCOC(=O)N[C@H]1CCCCC1=O 164242123 757006143 /nfs/dbraw/zinc/00/61/43/757006143.db2.gz JCMMNKKHICENJT-QMMMGPOBSA-N 0 0 197.234 1.410 10 0 ADAERN CCNC(=S)NC[C@H](C)CC 164309181 757006163 /nfs/dbraw/zinc/00/61/63/757006163.db2.gz WZCZBUNEMQXVOF-SSDOTTSWSA-N 0 0 174.313 1.517 10 0 ADAERN CCCC[C@@H](C)NC(=S)NC 164297616 757006232 /nfs/dbraw/zinc/00/62/32/757006232.db2.gz QTCXPNUUACFIFT-SSDOTTSWSA-N 0 0 174.313 1.659 10 0 ADAERN CC1(NC(=O)c2cccc(O)c2)CC1 163673725 757006325 /nfs/dbraw/zinc/00/63/25/757006325.db2.gz JLNZOSJNGUBQLK-UHFFFAOYSA-N 0 0 191.230 1.675 10 0 ADAERN CCNC(=S)N(CC)C(C)C 164181725 757006498 /nfs/dbraw/zinc/00/64/98/757006498.db2.gz CGXYIZBXWSCDCN-UHFFFAOYSA-N 0 0 174.313 1.611 10 0 ADAERN CN(C(=S)NC1CCCC1)C1CC1 164180182 757006691 /nfs/dbraw/zinc/00/66/91/757006691.db2.gz NMJHIEVGSLUAIH-UHFFFAOYSA-N 0 0 198.335 1.898 10 0 ADAERN CCCNC(=S)NC[C@@H](C)CC 164307013 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IPGNFCWBMMKZTN-LDYMZIIASA-N 0 0 196.246 1.500 10 0 ADAERN C[C@H](NO)[C@@H](O)c1ccccc1 196383851 571889207 /nfs/dbraw/zinc/88/92/07/571889207.db2.gz HGLCRWVDSDEZOM-IONNQARKSA-N 0 0 167.208 1.087 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1nncs1 87139810 571889208 /nfs/dbraw/zinc/88/92/08/571889208.db2.gz LYPYPIPGXJIHSI-RFZPGFLSSA-N 0 0 190.293 1.400 10 0 ADAERN COCCOC(=O)[C@@H]1CC1(C)C 145166375 571889213 /nfs/dbraw/zinc/88/92/13/571889213.db2.gz LPTHEVLJSVAPLO-ZETCQYMHSA-N 0 0 172.224 1.222 10 0 ADAERN CCCCOC(=O)c1coc(C)n1 308168750 757102883 /nfs/dbraw/zinc/10/28/83/757102883.db2.gz APXZMPYAJRVBNK-UHFFFAOYSA-N 0 0 183.207 1.940 10 0 ADAERN Cc1cc(C(=O)OCCF)on1 308077226 757103477 /nfs/dbraw/zinc/10/34/77/757103477.db2.gz DGHZXBFPCGANGB-UHFFFAOYSA-N 0 0 173.143 1.109 10 0 ADAERN Cc1ccc(C)n2c(CO)cnc12 39147891 571903621 /nfs/dbraw/zinc/90/36/21/571903621.db2.gz QEZKKAKTXHYSRP-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN FCCN1CC[C@H](OC(F)F)C1 308083819 757103528 /nfs/dbraw/zinc/10/35/28/757103528.db2.gz LRGLZWJLBRXTFW-LURJTMIESA-N 0 0 183.173 1.269 10 0 ADAERN Cc1cc2c(cc1C)C(=O)NC2=O 39268795 572001440 /nfs/dbraw/zinc/00/14/40/572001440.db2.gz OUNAOMONKRIQOD-UHFFFAOYSA-N 0 0 175.187 1.187 10 0 ADAERN CSCC(=O)NCCC1CCC1 308074880 757103762 /nfs/dbraw/zinc/10/37/62/757103762.db2.gz CLFSCDXRQZSEKJ-UHFFFAOYSA-N 0 0 187.308 1.656 10 0 ADAERN COC[C@H](NN)C1=CCCCCCC1 234708783 571904000 /nfs/dbraw/zinc/90/40/00/571904000.db2.gz YGOHFBRIJURYHI-NSHDSACASA-N 0 0 198.310 1.745 10 0 ADAERN CCOC[C@@H](C)OC(=O)C1CC1 308076418 757104107 /nfs/dbraw/zinc/10/41/07/757104107.db2.gz DCBAPYQEAAAKBF-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN CCOCC(=O)O[C@@H](C)C1CC1 308169016 757104134 /nfs/dbraw/zinc/10/41/34/757104134.db2.gz VVTFXBWKXRMUHW-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN CCCNc1nccnc1COC 308180846 757104175 /nfs/dbraw/zinc/10/41/75/757104175.db2.gz CPQZKWHAEXGFJT-UHFFFAOYSA-N 0 0 181.239 1.445 10 0 ADAERN C[C@@H](O)[C@H](O)CCC1CCCC1 300766890 571905287 /nfs/dbraw/zinc/90/52/87/571905287.db2.gz OWLGDAOFIGNTEE-PSASIEDQSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)C=C=CCCO 39184548 571905289 /nfs/dbraw/zinc/90/52/89/571905289.db2.gz PCPVZZNWCCSATP-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN CC[C@H]1CCC(=S)N1 39184565 571906382 /nfs/dbraw/zinc/90/63/82/571906382.db2.gz YUYZOOCZSTVGSM-YFKPBYRVSA-N 0 0 129.228 1.476 10 0 ADAERN CCO[P@@](C)(=O)[C@@H](O)CC 39168262 571906384 /nfs/dbraw/zinc/90/63/84/571906384.db2.gz PXZMEDAYODNBON-LHLIQPBNSA-N 0 0 166.157 1.659 10 0 ADAERN CC[C@@H](O)CC[C@@H](C)COC 70777102 571906387 /nfs/dbraw/zinc/90/63/87/571906387.db2.gz JWRWRAUBPRGVFZ-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CCCCOC(=O)[C@H](N)CCCC 33949555 572002135 /nfs/dbraw/zinc/00/21/35/572002135.db2.gz XYECQODUCFQYKS-SECBINFHSA-N 0 0 187.283 1.847 10 0 ADAERN C=CS(=O)(=O)N(C)C(CC)CC 308097608 757104850 /nfs/dbraw/zinc/10/48/50/757104850.db2.gz DVAYBKXSVKAMGU-UHFFFAOYSA-N 0 0 191.296 1.580 10 0 ADAERN O=C(OCC1CC1)N1CCCO1 308078651 757105794 /nfs/dbraw/zinc/10/57/94/757105794.db2.gz HGKCUINOHLMLEU-UHFFFAOYSA-N 0 0 171.196 1.170 10 0 ADAERN O=C(/C=C/C1CC1)OCC1CC1 308097045 757106190 /nfs/dbraw/zinc/10/61/90/757106190.db2.gz ZVPFIDFLQXQBRD-AATRIKPKSA-N 0 0 166.220 1.906 10 0 ADAERN CCCOC(=O)NC(C)(C)CCO 308128136 757107064 /nfs/dbraw/zinc/10/70/64/757107064.db2.gz ALOQCBLCDJBCBN-UHFFFAOYSA-N 0 0 189.255 1.284 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCC(=O)C1 14507133 572007574 /nfs/dbraw/zinc/00/75/74/572007574.db2.gz VKQWEGJVQIYJTG-SFYZADRCSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@H](CNCC(F)F)n1cccn1 235444080 571909699 /nfs/dbraw/zinc/90/96/99/571909699.db2.gz MSLABQRDGQBXCM-SSDOTTSWSA-N 0 0 189.209 1.299 10 0 ADAERN COC(=O)/C=C(\OC)C(C)C 687678344 571909700 /nfs/dbraw/zinc/90/97/00/571909700.db2.gz RGSFTXPPQWHFDL-ALCCZGGFSA-N 0 0 158.197 1.346 10 0 ADAERN C[C@H](C[NH2+]CC1(C2CC2)CC1)C(=O)[O-] 235447488 571910147 /nfs/dbraw/zinc/91/01/47/571910147.db2.gz COHKLHVVZYPMOR-MRVPVSSYSA-N 0 0 197.278 1.487 10 0 ADAERN CO[C@H](C)C(C)C 14590615 572009177 /nfs/dbraw/zinc/00/91/77/572009177.db2.gz JPUDLQKLSRSRGN-ZCFIWIBFSA-N 0 0 102.177 1.677 10 0 ADAERN OC/C=C/C[C@@H]1CCCOC1 687678189 571910160 /nfs/dbraw/zinc/91/01/60/571910160.db2.gz XXWXFCDQQICGAZ-GPYPMJJRSA-N 0 0 156.225 1.352 10 0 ADAERN O=C1C[C@H]2CCC=C[C@@H]2O1 39215164 571910192 /nfs/dbraw/zinc/91/01/92/571910192.db2.gz OXTLVJJVUCKKTN-RQJHMYQMSA-N 0 0 138.166 1.268 10 0 ADAERN CC[C@H]1CCCCC(=O)N1 39212553 571910210 /nfs/dbraw/zinc/91/02/10/571910210.db2.gz MMPXHHOJBIATRS-ZETCQYMHSA-N 0 0 141.214 1.455 10 0 ADAERN CC(C)[C@@H]1C=C[C@@H](O)CC1 39204649 571910219 /nfs/dbraw/zinc/91/02/19/571910219.db2.gz CJAQNMJQZNLNHG-RKDXNWHRSA-N 0 0 140.226 1.970 10 0 ADAERN C[C@@H](O)[C@@H](CO)c1ccccc1 39208617 571910242 /nfs/dbraw/zinc/91/02/42/571910242.db2.gz DCNMHZIUXXXJIC-PSASIEDQSA-N 0 0 166.220 1.143 10 0 ADAERN CCc1ncc(C(C)=O)n1CC 39071900 571910245 /nfs/dbraw/zinc/91/02/45/571910245.db2.gz SVGBKWCVGUCNAZ-UHFFFAOYSA-N 0 0 166.224 1.668 10 0 ADAERN CCOC(=O)C/C=C/COC 687678329 571910246 /nfs/dbraw/zinc/91/02/46/571910246.db2.gz MRECUUDKQDVYGD-SNAWJCMRSA-N 0 0 158.197 1.142 10 0 ADAERN O=C1C[C@@H]2CCC[C@@H]2CCN1 39212543 571910247 /nfs/dbraw/zinc/91/02/47/571910247.db2.gz DVECSUPYVIWVFQ-SFYZADRCSA-N 0 0 153.225 1.313 10 0 ADAERN CCO[C@H](C)[C@H](O)[C@H]1CCCOC1 300232031 572012100 /nfs/dbraw/zinc/01/21/00/572012100.db2.gz JWHLWXFYIYPYGI-UTLUCORTSA-N 0 0 188.267 1.199 10 0 ADAERN C/C=C/C/C=C/CCO 39212889 571910281 /nfs/dbraw/zinc/91/02/81/571910281.db2.gz BNDAMTLLUULVLF-ZIMISOLQSA-N 0 0 126.199 1.891 10 0 ADAERN C[C@]1(O)C(=O)CCc2ccccc21 39216348 571910283 /nfs/dbraw/zinc/91/02/83/571910283.db2.gz SIJKVFQSHGYGII-LLVKDONJSA-N 0 0 176.215 1.409 10 0 ADAERN CCCNC(=O)NCC1(F)CCC1 308498352 757110786 /nfs/dbraw/zinc/11/07/86/757110786.db2.gz VIKLPWVJSZSVOK-UHFFFAOYSA-N 0 0 188.246 1.588 10 0 ADAERN CC/C=C/COC(=O)CCCOC 308493147 757111029 /nfs/dbraw/zinc/11/10/29/757111029.db2.gz SDGPOWBWGCTZDC-SNAWJCMRSA-N 0 0 186.251 1.922 10 0 ADAERN CC/C=C\COC(=O)CCCOC 308493145 757111052 /nfs/dbraw/zinc/11/10/52/757111052.db2.gz SDGPOWBWGCTZDC-PLNGDYQASA-N 0 0 186.251 1.922 10 0 ADAERN CCCC[S@@](=O)C1=C(O)CCC1 81918089 572012111 /nfs/dbraw/zinc/01/21/11/572012111.db2.gz IVEVRMCRTVFREN-CABZTGNLSA-N 0 0 188.292 1.657 10 0 ADAERN COC(=O)/C=C\c1ccnc(Cl)c1 308493501 757111112 /nfs/dbraw/zinc/11/11/12/757111112.db2.gz SGVYWGCKZNVOAQ-IHWYPQMZSA-N 0 0 197.621 1.921 10 0 ADAERN CCCONC(=O)c1ccco1 315375913 757111778 /nfs/dbraw/zinc/11/17/78/757111778.db2.gz FMGUUKLGKCBCOH-UHFFFAOYSA-N 0 0 169.180 1.351 10 0 ADAERN CC(=O)CCCC[S@](=O)C(C)C 81918713 572012123 /nfs/dbraw/zinc/01/21/23/572012123.db2.gz HWGDBPBGEFVROG-GFCCVEGCSA-N 0 0 190.308 1.903 10 0 ADAERN CCc1cnc2[nH]c(C)ccc-2c1=O 39213078 571910704 /nfs/dbraw/zinc/91/07/04/571910704.db2.gz XECDQKQPZZZAKH-UHFFFAOYSA-N 0 0 188.230 1.794 10 0 ADAERN OC/C=C/C[C@H]1CCCOC1 687678190 571910705 /nfs/dbraw/zinc/91/07/05/571910705.db2.gz XXWXFCDQQICGAZ-VWCDRPFISA-N 0 0 156.225 1.352 10 0 ADAERN C[C@@H](O)[C@H](CO)c1ccccc1 39208619 571910707 /nfs/dbraw/zinc/91/07/07/571910707.db2.gz DCNMHZIUXXXJIC-SCZZXKLOSA-N 0 0 166.220 1.143 10 0 ADAERN CC(C)(Cl)CCO 39212282 571910730 /nfs/dbraw/zinc/91/07/30/571910730.db2.gz DPSBBYAQZZOCBX-UHFFFAOYSA-N 0 0 122.595 1.386 10 0 ADAERN C[C@@H](O)[C@@H]1O[C@H]1c1ccccc1 39233690 571913575 /nfs/dbraw/zinc/91/35/75/571913575.db2.gz BBFNHPCLQITQGM-JEZHCXPESA-N 0 0 164.204 1.507 10 0 ADAERN CO[C@H](C)CC(=O)C[C@@H]1CCCO1 687698619 572012137 /nfs/dbraw/zinc/01/21/37/572012137.db2.gz BSAVSOHWYSFERR-SCZZXKLOSA-N 0 0 186.251 1.550 10 0 ADAERN CCCC[C@](CC)(C(=O)[O-])[NH+](C)C 68986575 572012551 /nfs/dbraw/zinc/01/25/51/572012551.db2.gz QSKWODOOVSVDPU-SNVBAGLBSA-N 0 0 187.283 1.972 10 0 ADAERN CC(=O)[C@@]12CCCC[C@]1(C)O2 139391239 571919353 /nfs/dbraw/zinc/91/93/53/571919353.db2.gz UEDMUFHWLZOBCE-IUCAKERBSA-N 0 0 154.209 1.677 10 0 ADAERN C[C@]12CCC(=O)C[C@@H]1CCC2=O 39269847 571919356 /nfs/dbraw/zinc/91/93/56/571919356.db2.gz RMCJPUDBPFRSIF-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN CN1N=C(c2ccccc2)CNC1=O 39270242 571919367 /nfs/dbraw/zinc/91/93/67/571919367.db2.gz HKWQLTNATBVXFL-UHFFFAOYSA-N 0 0 189.218 1.046 10 0 ADAERN CNc1ccc2c(c1)C(=O)C1(CC1)O2 39341830 571921764 /nfs/dbraw/zinc/92/17/64/571921764.db2.gz OEACYUFSJNDTCZ-UHFFFAOYSA-N 0 0 189.214 1.836 10 0 ADAERN Nc1nnc2c(Cl)cccc2n1 39333554 571921795 /nfs/dbraw/zinc/92/17/95/571921795.db2.gz XLTIKIKBXQGLMZ-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN CCCCN1CCO[C@@H]1CC 39330956 571921810 /nfs/dbraw/zinc/92/18/10/571921810.db2.gz ZDAPNIVBAWKRGA-SECBINFHSA-N 0 0 157.257 1.855 10 0 ADAERN O=C1NC[C@H]2CCc3ccccc3N12 39318478 571922554 /nfs/dbraw/zinc/92/25/54/571922554.db2.gz WZSBXUREKDWUMW-SECBINFHSA-N 0 0 188.230 1.531 10 0 ADAERN c1ccc2[nH]c(-n3cnnc3)nc2c1 39331473 571922975 /nfs/dbraw/zinc/92/29/75/571922975.db2.gz BXQQBAZYRSZOGH-UHFFFAOYSA-N 0 0 185.190 1.144 10 0 ADAERN CSCC(=O)C(C)(C)CF 39333551 571922978 /nfs/dbraw/zinc/92/29/78/571922978.db2.gz YNSAGYBTTJITJT-UHFFFAOYSA-N 0 0 164.245 1.914 10 0 ADAERN CC(=O)c1ccccc2nc(N)nc1-2 39338471 571922980 /nfs/dbraw/zinc/92/29/80/571922980.db2.gz NNDCNMRPUKSQML-UHFFFAOYSA-N 0 0 187.202 1.366 10 0 ADAERN Cc1ccc([C@]23C[C@H]2CNC3=O)cc1 39332107 571922994 /nfs/dbraw/zinc/92/29/94/571922994.db2.gz GRTIXQDKSSDNHF-CMPLNLGQSA-N 0 0 187.242 1.383 10 0 ADAERN CCCCN=c1ccccn1C 334138544 757115908 /nfs/dbraw/zinc/11/59/08/757115908.db2.gz QRLNIIQLBZQSGS-UHFFFAOYSA-N 0 0 164.252 1.726 10 0 ADAERN COC(=O)/C=C/COC1CCC1 328483224 757116044 /nfs/dbraw/zinc/11/60/44/757116044.db2.gz SEMZRZYBDNDXLD-ZZXKWVIFSA-N 0 0 170.208 1.285 10 0 ADAERN Nc1ccc2c(c1)SC1=NCCN12 39332414 571923013 /nfs/dbraw/zinc/92/30/13/571923013.db2.gz YKCYIZRIDZJLGC-UHFFFAOYSA-N 0 0 191.259 1.551 10 0 ADAERN CC1(C)CC(O)CC(C)(C)C1O 39336407 571923016 /nfs/dbraw/zinc/92/30/16/571923016.db2.gz GHDXFPVKKVCCIE-UHFFFAOYSA-N 0 0 172.268 1.554 10 0 ADAERN CCSCCO[C@H](C)C(=O)OC 328359449 757116357 /nfs/dbraw/zinc/11/63/57/757116357.db2.gz AVGSWOSDXHWHGB-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN c1ccc(CCn2cnnc2)cc1 39331467 571923023 /nfs/dbraw/zinc/92/30/23/571923023.db2.gz HLZRFEXUHVTTIN-UHFFFAOYSA-N 0 0 173.219 1.521 10 0 ADAERN CCCOC[C@H](O)[C@@H](C)CSC 300777780 571923027 /nfs/dbraw/zinc/92/30/27/571923027.db2.gz TVCWVJZOEYEEAK-IUCAKERBSA-N 0 0 192.324 1.773 10 0 ADAERN O=C([O-])C/C=C/C[C@@H]1CCC[NH2+]C1 687680170 571923049 /nfs/dbraw/zinc/92/30/49/571923049.db2.gz PQGXVXUKDFCLAJ-GPYPMJJRSA-N 0 0 183.251 1.407 10 0 ADAERN CC(=O)O[C@H]1C[C@@H](C)CCC1=O 196140841 571923056 /nfs/dbraw/zinc/92/30/56/571923056.db2.gz YIZGZUQIYLXENV-RCOVLWMOSA-N 0 0 170.208 1.307 10 0 ADAERN O=c1[nH]cnc2ccc(C3CC3)cc12 39329288 571923057 /nfs/dbraw/zinc/92/30/57/571923057.db2.gz LHBXAYHOPMCNDF-UHFFFAOYSA-N 0 0 186.214 1.801 10 0 ADAERN COC(=O)/C=C/COC1CCCC1 328442991 757117209 /nfs/dbraw/zinc/11/72/09/757117209.db2.gz HKHDZSDUKHMCRP-QPJJXVBHSA-N 0 0 184.235 1.675 10 0 ADAERN CCCCN1CCO[C@H]1CC 39330958 571923063 /nfs/dbraw/zinc/92/30/63/571923063.db2.gz ZDAPNIVBAWKRGA-VIFPVBQESA-N 0 0 157.257 1.855 10 0 ADAERN CC[C@@H](C)OC/C=C/C(=O)OC 328488354 757117335 /nfs/dbraw/zinc/11/73/35/757117335.db2.gz VXISBSPUYVUDNG-HQZHTGGTSA-N 0 0 172.224 1.531 10 0 ADAERN CC[C@H](C)OC/C=C/C(=O)OC 328488353 757117348 /nfs/dbraw/zinc/11/73/48/757117348.db2.gz VXISBSPUYVUDNG-GJIOHYHPSA-N 0 0 172.224 1.531 10 0 ADAERN CCCCN1CC[C@@H](F)C1=O 39081320 571953879 /nfs/dbraw/zinc/95/38/79/571953879.db2.gz NSOOZZURXTUGFD-SSDOTTSWSA-N 0 0 159.204 1.357 10 0 ADAERN CCOCCOc1cccc(C)c1N 35358786 572020544 /nfs/dbraw/zinc/02/05/44/572020544.db2.gz YLBRVXDGCOKVQG-UHFFFAOYSA-N 0 0 195.262 1.993 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H](C)C1CC1 235526186 571953898 /nfs/dbraw/zinc/95/38/98/571953898.db2.gz ROFRYDIRPJLKDA-IVGLGHLBSA-N 0 0 183.251 1.405 10 0 ADAERN Cc1nccn1C(=S)S 39081130 571953908 /nfs/dbraw/zinc/95/39/08/571953908.db2.gz NRDPSBVVFHTDIW-UHFFFAOYSA-N 0 0 158.251 1.254 10 0 ADAERN Cc1cnc([C@@H](O)C(F)F)c(C)c1 687774763 572020556 /nfs/dbraw/zinc/02/05/56/572020556.db2.gz FCEXYYMMTGVAFL-MRVPVSSYSA-N 0 0 187.189 1.997 10 0 ADAERN CC(=O)CCCO[C@@H]1CCOC1 82454190 572020560 /nfs/dbraw/zinc/02/05/60/572020560.db2.gz ZZYCBZXPUYGBQO-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN COC[C@H](C)[C@]1(O)CSC[C@H]1C 687687643 571953914 /nfs/dbraw/zinc/95/39/14/571953914.db2.gz YWTVRXXFQXDTDP-DJLDLDEBSA-N 0 0 190.308 1.383 10 0 ADAERN Cc1csc(N2CCC[C@@H](O)C2)n1 40431441 571953941 /nfs/dbraw/zinc/95/39/41/571953941.db2.gz WOIWOSMGTZKPDQ-MRVPVSSYSA-N 0 0 198.291 1.413 10 0 ADAERN O[C@@H](C(F)F)C1(O)CCCCCC1 687774762 572021425 /nfs/dbraw/zinc/02/14/25/572021425.db2.gz DHKRWEXOUMKYTM-ZETCQYMHSA-N 0 0 194.221 1.698 10 0 ADAERN CC(=O)c1cc(F)cnc1NC1CC1 40442207 571953966 /nfs/dbraw/zinc/95/39/66/571953966.db2.gz IDSFMVDGCYDGMR-UHFFFAOYSA-N 0 0 194.209 1.998 10 0 ADAERN COC[C@@H](C)C1=CCC(=O)CC1 687687548 571953969 /nfs/dbraw/zinc/95/39/69/571953969.db2.gz XTJCGKBPMMEYBK-MRVPVSSYSA-N 0 0 168.236 1.948 10 0 ADAERN CCCCC(=O)Nc1cccc[n+]1[O-] 687758996 571960569 /nfs/dbraw/zinc/96/05/69/571960569.db2.gz MVFWRRFUXGGJFM-UHFFFAOYSA-N 0 0 194.234 1.449 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)c2ccno2)C1 687689931 571963239 /nfs/dbraw/zinc/96/32/39/571963239.db2.gz JFYXKXHUADYQPJ-YUMQZZPRSA-N 0 0 194.234 1.593 10 0 ADAERN C[C@]1(C(=O)[O-])CCCC[C@H]1[NH+]1CCC1 687774424 572021440 /nfs/dbraw/zinc/02/14/40/572021440.db2.gz FTMNKIPBSXPGAT-KOLCDFICSA-N 0 0 197.278 1.726 10 0 ADAERN CCC(=O)[C@@]1(OC)CC[C@H]1C 687690890 571963545 /nfs/dbraw/zinc/96/35/45/571963545.db2.gz OUSPPHZNHYADFD-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@H](O)CNc1ccc2c(c1)OCO2 32009142 571963557 /nfs/dbraw/zinc/96/35/57/571963557.db2.gz AXVPPGIQOPZQSZ-ZETCQYMHSA-N 0 0 195.218 1.208 10 0 ADAERN C[C@H](N)C(=O)O[C@H]1CCC[C@@H](C)C1 40953915 571965681 /nfs/dbraw/zinc/96/56/81/571965681.db2.gz FYOYCMNADJTDBU-VGMNWLOBSA-N 0 0 185.267 1.456 10 0 ADAERN CCC(=O)[C@](C)(OC)[C@H]1CCOC1 687690817 571965715 /nfs/dbraw/zinc/96/57/15/571965715.db2.gz RKWWQZULCZDYIP-WCBMZHEXSA-N 0 0 186.251 1.407 10 0 ADAERN CC[C@H](C)CC(=O)[C@@H](C)O 233981097 571965716 /nfs/dbraw/zinc/96/57/16/571965716.db2.gz IIMJMSLFTRIXNA-NKWVEPMBSA-N 0 0 144.214 1.373 10 0 ADAERN Nc1ccc(N2CC[C@@H](CF)C2)cn1 711428696 571965718 /nfs/dbraw/zinc/96/57/18/571965718.db2.gz SQFHQVGDKPJCCM-QMMMGPOBSA-N 0 0 195.241 1.460 10 0 ADAERN CC(C)Cc1nc(Cl)c(CO)[nH]1 219302497 571965734 /nfs/dbraw/zinc/96/57/34/571965734.db2.gz YUAUPXWGKJMCNR-UHFFFAOYSA-N 0 0 188.658 1.754 10 0 ADAERN O[C@@H](C1CCCCC1)[C@@H](O)C(F)F 687774814 572022321 /nfs/dbraw/zinc/02/23/21/572022321.db2.gz OZKMBHLWDJOBQY-JGVFFNPUSA-N 0 0 194.221 1.554 10 0 ADAERN CC[C@H](C)n1ncc2c(=O)[nH]cnc21 40931361 571965737 /nfs/dbraw/zinc/96/57/37/571965737.db2.gz SMADNCQAWNZJAC-LURJTMIESA-N 0 0 192.222 1.091 10 0 ADAERN CCCO[C@](C)(CCOC)C(C)=O 687691527 571965742 /nfs/dbraw/zinc/96/57/42/571965742.db2.gz AJFFUIBEUIQXJS-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN COP(=O)(OC)C(C)C 32135301 571965830 /nfs/dbraw/zinc/96/58/30/571965830.db2.gz WETUVMMRZWQXIK-UHFFFAOYSA-N 0 0 152.130 1.881 10 0 ADAERN CCC(=O)[C@H](OC)c1cncn1CC 687693048 571969095 /nfs/dbraw/zinc/96/90/95/571969095.db2.gz IVZBMJABYRKMTH-SNVBAGLBSA-N 0 0 196.250 1.570 10 0 ADAERN CCn1cncc1[C@H](OC)C(C)=O 687692945 571969101 /nfs/dbraw/zinc/96/91/01/571969101.db2.gz CJVKPXSPPCCDNT-SECBINFHSA-N 0 0 182.223 1.180 10 0 ADAERN O[C@@H]1CC[C@@H]2CCCC[C@@H]2O1 32176700 571969109 /nfs/dbraw/zinc/96/91/09/571969109.db2.gz CYWSQFHGSSPMOF-CIUDSAMLSA-N 0 0 156.225 1.674 10 0 ADAERN COCC[C@@H](O)C[C@H]1CCCCO1 687774389 572022336 /nfs/dbraw/zinc/02/23/36/572022336.db2.gz AMEWKDIRVICJNN-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN COC(=O)[C@@H](NC1CCCC1)C(C)C 35346572 572022338 /nfs/dbraw/zinc/02/23/38/572022338.db2.gz VPGOIPRKJDQAHV-JTQLQIEISA-N 0 0 199.294 1.716 10 0 ADAERN CC1(C)Cc2ccccc2[C@@H](O)[C@@H]1O 32171035 571970173 /nfs/dbraw/zinc/97/01/73/571970173.db2.gz BMTRGPKDGYQVCR-MNOVXSKESA-N 0 0 192.258 1.663 10 0 ADAERN CCCn1nccc1[C@@H](O)C1CC1 69023339 572023367 /nfs/dbraw/zinc/02/33/67/572023367.db2.gz QOHJANXLZWZTGB-JTQLQIEISA-N 0 0 180.251 1.737 10 0 ADAERN CC(C)[C@H]1SC[C@@H]2CON=C21 32210095 571970696 /nfs/dbraw/zinc/97/06/96/571970696.db2.gz CTDNOWFDQKVGLD-POYBYMJQSA-N 0 0 171.265 1.760 10 0 ADAERN C[C@H](O)CC1SCCCS1 32220888 571970704 /nfs/dbraw/zinc/97/07/04/571970704.db2.gz LRUPVPPUGNZMRJ-LURJTMIESA-N 0 0 178.322 1.954 10 0 ADAERN C[C@H]1C(=O)C(C)(C)[C@@H]1C 32218179 571970719 /nfs/dbraw/zinc/97/07/19/571970719.db2.gz PVXWXVPUCQYBGD-PHDIDXHHSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@@]12CC[C@H](F)[C@@](C)(CO1)O2 39088837 571970726 /nfs/dbraw/zinc/97/07/26/571970726.db2.gz ARLRMCKUUXVSJE-XLPZGREQSA-N 0 0 160.188 1.640 10 0 ADAERN CC(C)(O)[C@H]1CCCC[C@@H]1O 32211260 571970732 /nfs/dbraw/zinc/97/07/32/571970732.db2.gz BLFZFLJLOQUSIO-YUMQZZPRSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NOC/C=C/Cl 382190540 757128303 /nfs/dbraw/zinc/12/83/03/757128303.db2.gz BRGZVFFIJAYUEK-VHJVCUAWSA-N 0 0 189.642 1.443 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NOC/C=C\Cl 382190537 757128307 /nfs/dbraw/zinc/12/83/07/757128307.db2.gz BRGZVFFIJAYUEK-QNNCNFPFSA-N 0 0 189.642 1.443 10 0 ADAERN Cc1ccc([C@@H](O)C(C)(C)O)cn1 235804375 571970742 /nfs/dbraw/zinc/97/07/42/571970742.db2.gz CTSPGIJZXMFODG-SECBINFHSA-N 0 0 181.235 1.194 10 0 ADAERN CCCOC(=O)[C@H]1C[C@@H]1C(F)F 382187666 757128436 /nfs/dbraw/zinc/12/84/36/757128436.db2.gz BCNWUQOJVKESST-WDSKDSINSA-N 0 0 178.178 1.841 10 0 ADAERN CC(C)C[C@@H](C)C[NH2+]C1(C(=O)[O-])CC1 300828984 571970748 /nfs/dbraw/zinc/97/07/48/571970748.db2.gz BWMNUMFRPVWKTR-SECBINFHSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1nc(C)n([C@H](C)CC(N)=S)n1 41062807 571970749 /nfs/dbraw/zinc/97/07/49/571970749.db2.gz QUFGSDNIHVBISU-RXMQYKEDSA-N 0 0 198.295 1.132 10 0 ADAERN Cc1ccc2c(c1C)C(=O)NC2=O 32220270 571970757 /nfs/dbraw/zinc/97/07/57/571970757.db2.gz IAGZAIHSURVYSD-UHFFFAOYSA-N 0 0 175.187 1.187 10 0 ADAERN O=C(OCC1CC1)[C@H]1CCCCCN1 80989713 571970767 /nfs/dbraw/zinc/97/07/67/571970767.db2.gz DHQAHTMOMASHMU-SNVBAGLBSA-N 0 0 197.278 1.472 10 0 ADAERN O=C1CCCC[C@@]12OCCS2 32212656 571970785 /nfs/dbraw/zinc/97/07/85/571970785.db2.gz QXIWWQAAIUTCKQ-QMMMGPOBSA-N 0 0 172.249 1.589 10 0 ADAERN CC(C)[C@@H](Cc1nccn1C)C(=O)[O-] 82385815 572023375 /nfs/dbraw/zinc/02/33/75/572023375.db2.gz CRKZMNMGAHPYCS-MRVPVSSYSA-N 0 0 196.250 1.319 10 0 ADAERN CC[C@@H](C)OC(=O)[C@H]1CCCCCN1 80989700 571970797 /nfs/dbraw/zinc/97/07/97/571970797.db2.gz UJMFOUMNHXXACS-NXEZZACHSA-N 0 0 199.294 1.860 10 0 ADAERN OCCCCC=C1CC1 32218864 571970801 /nfs/dbraw/zinc/97/08/01/571970801.db2.gz UREWHCDVHYRYSO-UHFFFAOYSA-N 0 0 126.199 1.869 10 0 ADAERN CC(C)=C1N=C2CCCCN2C1=O 32220864 571970807 /nfs/dbraw/zinc/97/08/07/571970807.db2.gz CDXDWVCEHJQLBK-UHFFFAOYSA-N 0 0 178.235 1.705 10 0 ADAERN Cc1nc(C)n(-c2cccc(F)n2)n1 41062880 571970809 /nfs/dbraw/zinc/97/08/09/571970809.db2.gz QZSGFNNHQNTHCY-UHFFFAOYSA-N 0 0 192.197 1.418 10 0 ADAERN CCCC(=O)[C@@](C)(CCOC)OC 687775217 572026140 /nfs/dbraw/zinc/02/61/40/572026140.db2.gz NLNUZLNCCLDWLK-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN COc1ccc(C(=O)CC(C)C)nn1 234816256 571970828 /nfs/dbraw/zinc/97/08/28/571970828.db2.gz BJLYQFDSPMLVLY-UHFFFAOYSA-N 0 0 194.234 1.714 10 0 ADAERN C/C=C\C(=O)N1CCC([C@@H](C)O)CC1 388819636 757130570 /nfs/dbraw/zinc/13/05/70/757130570.db2.gz RPLGDFKMTPERNE-ZBJFTSOASA-N 0 0 197.278 1.182 10 0 ADAERN C[C@H]1CCC=C[C@@H]1O 32218350 571970852 /nfs/dbraw/zinc/97/08/52/571970852.db2.gz IEALXHQYEVTYMO-BQBZGAKWSA-N 0 0 112.172 1.333 10 0 ADAERN C/C=C\C(=O)N1CCC([C@H](C)O)CC1 388819634 757130802 /nfs/dbraw/zinc/13/08/02/757130802.db2.gz RPLGDFKMTPERNE-TYRPZCRBSA-N 0 0 197.278 1.182 10 0 ADAERN CC(C)[C@@H]1SC[C@@H]2CON=C21 32210092 571970855 /nfs/dbraw/zinc/97/08/55/571970855.db2.gz CTDNOWFDQKVGLD-XPUUQOCRSA-N 0 0 171.265 1.760 10 0 ADAERN C=CS(=O)(=O)C[C@@H](C)CC 233985957 571971617 /nfs/dbraw/zinc/97/16/17/571971617.db2.gz PCCATBSXHMRKJU-ZETCQYMHSA-N 0 0 162.254 1.591 10 0 ADAERN CC1(C)COC(C)(C)[C@@H]1O 32218682 571971627 /nfs/dbraw/zinc/97/16/27/571971627.db2.gz KDSBFNVBRXPAAZ-ZCFIWIBFSA-N 0 0 144.214 1.182 10 0 ADAERN CC(C)n1ncnc1[C@](C)([NH3+])C(C)C 687693577 571971631 /nfs/dbraw/zinc/97/16/31/571971631.db2.gz ROUPTZXDGIJMNR-SNVBAGLBSA-N 0 0 196.298 1.689 10 0 ADAERN O=C1CCCC(=O)C12CCCC2 32205674 571971638 /nfs/dbraw/zinc/97/16/38/571971638.db2.gz GAMSCVUUEKTEPL-UHFFFAOYSA-N 0 0 166.220 1.869 10 0 ADAERN CC(C)[C@H](C)C[NH2+][C@H](C)C(=O)[O-] 81055770 571971650 /nfs/dbraw/zinc/97/16/50/571971650.db2.gz MLNRJYKQTXFPST-HTQZYQBOSA-N 0 0 173.256 1.341 10 0 ADAERN CSCC[C@H](O)c1ccnn1C 69019562 572021392 /nfs/dbraw/zinc/02/13/92/572021392.db2.gz XKLDAJFRKCDPGK-QMMMGPOBSA-N 0 0 186.280 1.207 10 0 ADAERN CC[C@H](C)C[C@@H](N)c1nc(C)no1 400701607 757132748 /nfs/dbraw/zinc/13/27/48/757132748.db2.gz FINUTVWPKIYRPQ-POYBYMJQSA-N 0 0 183.255 1.814 10 0 ADAERN CC(C)[C@@H]1C=CC(=O)O1 32228394 571973811 /nfs/dbraw/zinc/97/38/11/571973811.db2.gz LWFKYUIZWLTJCA-LURJTMIESA-N 0 0 126.155 1.124 10 0 endogenous,in-man ADAERN C[C@@H]1CC(C)(C)C[C@H]1O 32230252 571973816 /nfs/dbraw/zinc/97/38/16/571973816.db2.gz QIXDCVATINBRLV-RNFRBKRXSA-N 0 0 128.215 1.803 10 0 ADAERN CC(C)[C@H](C)C[NH2+]C[C@@H](C)C(=O)[O-] 81057548 571973819 /nfs/dbraw/zinc/97/38/19/571973819.db2.gz UXXACHOBEVMGJM-RKDXNWHRSA-N 0 0 187.283 1.589 10 0 ADAERN CSc1nc(N)c2cc(C)[nH]c2n1 32233016 571973826 /nfs/dbraw/zinc/97/38/26/571973826.db2.gz PGWCLRHBBIWQOL-UHFFFAOYSA-N 0 0 194.263 1.570 10 0 ADAERN CCCC[C@@H](C)[C@@H](NN)C1=CCCO1 300902634 572039387 /nfs/dbraw/zinc/03/93/87/572039387.db2.gz JBPJRYYXNYRSKR-MWLCHTKSSA-N 0 0 198.310 1.949 10 0 ADAERN CCCC1CC(=O)C(C)C(=O)C1 139757747 571973830 /nfs/dbraw/zinc/97/38/30/571973830.db2.gz JQTDDHCPHQWBLW-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN CC1=C[C@@H]2CCC(=O)[C@H]2C1 32225431 571973836 /nfs/dbraw/zinc/97/38/36/571973836.db2.gz NVOPQZPASYXNIV-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN S=c1[nH]ncc2cccnc12 33846014 572039400 /nfs/dbraw/zinc/03/94/00/572039400.db2.gz LDYSRGSGGHYAJW-UHFFFAOYSA-N 0 0 163.205 1.687 10 0 ADAERN CC[C@H](C)C[C@H](N)c1nc(C)no1 400701610 757134841 /nfs/dbraw/zinc/13/48/41/757134841.db2.gz FINUTVWPKIYRPQ-XPUUQOCRSA-N 0 0 183.255 1.814 10 0 ADAERN O=C1C[C@@H]2CCC=C[C@@H]2C1 32225237 571974175 /nfs/dbraw/zinc/97/41/75/571974175.db2.gz UKDZGLJDJZZCHV-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN FC(F)(F)C1=NCCc2[nH]cnc21 32223823 571974180 /nfs/dbraw/zinc/97/41/80/571974180.db2.gz KYVWADYXVCYALO-UHFFFAOYSA-N 0 0 189.140 1.317 10 0 ADAERN O=C1C[C@@]2(Cl)CC[C@@H]1C2 32225805 571974195 /nfs/dbraw/zinc/97/41/95/571974195.db2.gz YDYOIGZLUHJTAY-IYSWYEEDSA-N 0 0 144.601 1.737 10 0 ADAERN CN1CCO[C@@H]1c1ccc(F)cc1 33856827 572039402 /nfs/dbraw/zinc/03/94/02/572039402.db2.gz HHTZQKCQLDEVBO-SNVBAGLBSA-N 0 0 181.210 1.786 10 0 ADAERN CC[C@@H](C)C[C@H](N)c1nc(C)no1 400701609 757135968 /nfs/dbraw/zinc/13/59/68/757135968.db2.gz FINUTVWPKIYRPQ-SVRRBLITSA-N 0 0 183.255 1.814 10 0 ADAERN CC(C)(C)O[C@@H]1CCNC(=O)C1 139709303 571974243 /nfs/dbraw/zinc/97/42/43/571974243.db2.gz RUZAZJBKUVQUML-SSDOTTSWSA-N 0 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571985695 /nfs/dbraw/zinc/98/56/95/571985695.db2.gz MYMIIWRLHQSFBQ-JGVFFNPUSA-N 0 0 171.240 1.731 10 0 ADAERN CCCS[C@H](C)C(=O)NC 41364203 571985700 /nfs/dbraw/zinc/98/57/00/571985700.db2.gz MIHJQCKSECTHJU-ZCFIWIBFSA-N 0 0 161.270 1.264 10 0 ADAERN Cc1cc(=O)nc(C(C)C)o1 39103192 571985736 /nfs/dbraw/zinc/98/57/36/571985736.db2.gz OYNTVGJDOHLONR-UHFFFAOYSA-N 0 0 153.181 1.467 10 0 ADAERN Cc1ncc(Nc2[nH+]ccn2C)cn1 687766790 571985738 /nfs/dbraw/zinc/98/57/38/571985738.db2.gz YSKUSFDGDCRPJQ-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2 13509170 571985739 /nfs/dbraw/zinc/98/57/39/571985739.db2.gz YCDAFGIQSSDOEV-WDEREUQCSA-N 0 0 192.214 1.116 10 0 ADAERN C[C@@H](CNc1nccnc1F)C1CC1 402576587 757163633 /nfs/dbraw/zinc/16/36/33/757163633.db2.gz AFCZDUCULCUAFM-ZETCQYMHSA-N 0 0 195.241 1.496 10 0 ADAERN CC(C)[C@H](C)CNc1nccnc1F 402631673 757163822 /nfs/dbraw/zinc/16/38/22/757163822.db2.gz ZHVYFPKWRYZTCE-MRVPVSSYSA-N 0 0 197.257 1.742 10 0 ADAERN CO[C@@H](C)CN(C)c1nccnc1F 402646422 757163935 /nfs/dbraw/zinc/16/39/35/757163935.db2.gz HIMYBMAXFLRAHV-ZETCQYMHSA-N 0 0 199.229 1.087 10 0 ADAERN COCc1cnc(C)c(O)c1C=O 13520038 571985764 /nfs/dbraw/zinc/98/57/64/571985764.db2.gz KVMVXBQRRXBUAJ-UHFFFAOYSA-N 0 0 181.191 1.055 10 0 ADAERN CC1(C)C[C@H]1CNc1nccnc1F 402604864 757163977 /nfs/dbraw/zinc/16/39/77/757163977.db2.gz TXLVGUHJCKBNMN-ZETCQYMHSA-N 0 0 195.241 1.496 10 0 ADAERN CC(C)[C@]12CCOC(=O)[C@H]1C2 39103276 571985770 /nfs/dbraw/zinc/98/57/70/571985770.db2.gz REBQKQFMXDUSCF-VXNVDRBHSA-N 0 0 154.209 1.596 10 0 ADAERN CC(C)C[C@@H](C)Nc1nccnc1F 402595646 757164083 /nfs/dbraw/zinc/16/40/83/757164083.db2.gz HSHUBNHRWFNNAY-MRVPVSSYSA-N 0 0 197.257 1.884 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1nccnc1F 402591573 757164120 /nfs/dbraw/zinc/16/41/20/757164120.db2.gz FJDRMDLRXDYZHO-YUMQZZPRSA-N 0 0 197.257 1.884 10 0 ADAERN CCCC(=O)N[C@H]1CCC[C@H]1OC 81561233 571985772 /nfs/dbraw/zinc/98/57/72/571985772.db2.gz BODMYDAJCGFDJL-DTWKUNHWSA-N 0 0 185.267 1.470 10 0 ADAERN CC[C@@H](O)CCNc1nccnc1F 402630569 757164150 /nfs/dbraw/zinc/16/41/50/757164150.db2.gz ANWLHELMFLFILY-SSDOTTSWSA-N 0 0 199.229 1.189 10 0 ADAERN CC(=O)Oc1ccc(O)cc1C(C)=O 13480988 571985780 /nfs/dbraw/zinc/98/57/80/571985780.db2.gz ALCWHITWIVGRQB-UHFFFAOYSA-N 0 0 194.186 1.520 10 0 ADAERN C[C@@H]1CC[C@H](Nc2nccnc2F)C1 402613280 757164492 /nfs/dbraw/zinc/16/44/92/757164492.db2.gz YEFMKJAIKBGQIE-SFYZADRCSA-N 0 0 195.241 1.638 10 0 ADAERN CCOCC(C)(C)N[S@@](=O)CC 687778458 572050035 /nfs/dbraw/zinc/05/00/35/572050035.db2.gz PKSQBDOCIRBMTH-LBPRGKRZSA-N 0 0 193.312 1.075 10 0 ADAERN C[C@@H](Nc1nccnc1F)C1CCC1 402589466 757164857 /nfs/dbraw/zinc/16/48/57/757164857.db2.gz KGZYJJDEVLBULE-SSDOTTSWSA-N 0 0 195.241 1.638 10 0 ADAERN CC[C@H](O)CCNc1nccnc1F 402630570 757164871 /nfs/dbraw/zinc/16/48/71/757164871.db2.gz ANWLHELMFLFILY-ZETCQYMHSA-N 0 0 199.229 1.189 10 0 ADAERN COCCCCNc1nccnc1F 402659845 757165122 /nfs/dbraw/zinc/16/51/22/757165122.db2.gz NQQWOSCXYZYQOC-UHFFFAOYSA-N 0 0 199.229 1.454 10 0 ADAERN C[C@H]1CCCN(c2nccnc2F)C1 402742847 757165169 /nfs/dbraw/zinc/16/51/69/757165169.db2.gz JCWZSCUBEYIIAC-QMMMGPOBSA-N 0 0 195.241 1.852 10 0 ADAERN C[C@@H](CO)Sc1nccnc1F 402740354 757165208 /nfs/dbraw/zinc/16/52/08/757165208.db2.gz HUZSQEAHMJJPMG-YFKPBYRVSA-N 0 0 188.227 1.089 10 0 ADAERN CCC1(CNc2nccnc2F)CC1 402609995 757165224 /nfs/dbraw/zinc/16/52/24/757165224.db2.gz WHKSFITXKFFYOX-UHFFFAOYSA-N 0 0 195.241 1.640 10 0 ADAERN CC[C@H](C)c1nc(O)c[nH]1 234004735 571986491 /nfs/dbraw/zinc/98/64/91/571986491.db2.gz ZQWZFGKYWTXHNP-YFKPBYRVSA-N 0 0 140.186 1.629 10 0 ADAERN C/C=C/C(=O)N(CC)[C@@H]1CCCOC1 402732230 757165495 /nfs/dbraw/zinc/16/54/95/757165495.db2.gz OHAYJSXXUPGVCJ-QLCVYAKKSA-N 0 0 197.278 1.590 10 0 ADAERN CCOC(=O)N[C@@H]1CCC[C@H]1OC 81559971 571986498 /nfs/dbraw/zinc/98/64/98/571986498.db2.gz QZJGYMQFZVPFIJ-HTQZYQBOSA-N 0 0 187.239 1.300 10 0 ADAERN COCCCNc1nccnc1F 402739791 757165556 /nfs/dbraw/zinc/16/55/56/757165556.db2.gz HTLNZHUAAZSQCA-UHFFFAOYSA-N 0 0 185.202 1.064 10 0 ADAERN CC1CCN(c2nccnc2F)CC1 402736445 757165583 /nfs/dbraw/zinc/16/55/83/757165583.db2.gz FZOLILONUQQKBJ-UHFFFAOYSA-N 0 0 195.241 1.852 10 0 ADAERN CC(C)[C@@H](C)CNc1nccnc1F 402631674 757165624 /nfs/dbraw/zinc/16/56/24/757165624.db2.gz ZHVYFPKWRYZTCE-QMMMGPOBSA-N 0 0 197.257 1.742 10 0 ADAERN CC[C@@H]1CCN(c2nccnc2F)C1 402583054 757165679 /nfs/dbraw/zinc/16/56/79/757165679.db2.gz FVDWPRYHEMPFCI-MRVPVSSYSA-N 0 0 195.241 1.852 10 0 ADAERN CO[C@H](C)CCNc1nccnc1F 402662685 757165698 /nfs/dbraw/zinc/16/56/98/757165698.db2.gz PENMOAHRQOEDSG-SSDOTTSWSA-N 0 0 199.229 1.453 10 0 ADAERN CON(C)C(=O)[C@@H](C)CC(F)(F)F 402528306 757165717 /nfs/dbraw/zinc/16/57/17/757165717.db2.gz SKKJLMBIIUTEOS-YFKPBYRVSA-N 0 0 199.172 1.595 10 0 ADAERN C[C@H]1[C@H](C)CCN1c1nccnc1F 402720652 757165742 /nfs/dbraw/zinc/16/57/42/757165742.db2.gz MXSQLLRKMOIHFE-SFYZADRCSA-N 0 0 195.241 1.850 10 0 ADAERN O[C@H]1CC[C@H](O)[C@H]2CCCC[C@H]12 13551368 571986510 /nfs/dbraw/zinc/98/65/10/571986510.db2.gz FHJSOCHUPDXCJI-XKNYDFJKSA-N 0 0 170.252 1.308 10 0 ADAERN C[C@H](CC(F)(F)F)C(=O)N(C)C 402519472 757165839 /nfs/dbraw/zinc/16/58/39/757165839.db2.gz NGLVSOSZQDCEPE-RXMQYKEDSA-N 0 0 183.173 1.663 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2nccnc2F)C1 402614013 757165864 /nfs/dbraw/zinc/16/58/64/757165864.db2.gz YKWVWSFMHQHYEG-HTQZYQBOSA-N 0 0 195.241 1.850 10 0 ADAERN CC(C)C(=O)N(C)C[C@@H]1C[C@@H]1C 81561539 571986517 /nfs/dbraw/zinc/98/65/17/571986517.db2.gz JSUIBGSKABUBRL-IUCAKERBSA-N 0 0 169.268 1.757 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1nccnc1F 402614017 757165957 /nfs/dbraw/zinc/16/59/57/757165957.db2.gz YKWVWSFMHQHYEG-SFYZADRCSA-N 0 0 195.241 1.850 10 0 ADAERN CN(c1nccnc1F)C1CCCC1 402734541 757165966 /nfs/dbraw/zinc/16/59/66/757165966.db2.gz FBADPUQOJAQEGK-UHFFFAOYSA-N 0 0 195.241 1.995 10 0 ADAERN CC[C@H](C)[C@@H](C)Nc1nccnc1F 402591570 757166086 /nfs/dbraw/zinc/16/60/86/757166086.db2.gz FJDRMDLRXDYZHO-JGVFFNPUSA-N 0 0 197.257 1.884 10 0 ADAERN CCOC(=O)N(C)C[C@@H]1C[C@H]1C 81560088 571986531 /nfs/dbraw/zinc/98/65/31/571986531.db2.gz MYMIIWRLHQSFBQ-SFYZADRCSA-N 0 0 171.240 1.731 10 0 ADAERN C[C@@H](Nc1nccnc1F)C(C)(C)C 402625726 757166111 /nfs/dbraw/zinc/16/61/11/757166111.db2.gz XHOIMUJLQIGHEK-SSDOTTSWSA-N 0 0 197.257 1.884 10 0 ADAERN CC[C@H](C)C1=N[C@@H](C(C)C)C(=O)N1 234002440 571986541 /nfs/dbraw/zinc/98/65/41/571986541.db2.gz BDGHFLUUUDGFBE-YUMQZZPRSA-N 0 0 182.267 1.585 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1nccnc1F 402591569 757166498 /nfs/dbraw/zinc/16/64/98/757166498.db2.gz FJDRMDLRXDYZHO-HTQZYQBOSA-N 0 0 197.257 1.884 10 0 ADAERN C/C=C\CNc1nccnc1F 402696252 757166583 /nfs/dbraw/zinc/16/65/83/757166583.db2.gz NDNBUZDESFRJEH-IHWYPQMZSA-N 0 0 167.187 1.604 10 0 ADAERN Cc1coc(=O)c(C(C)C)n1 39103235 571986561 /nfs/dbraw/zinc/98/65/61/571986561.db2.gz DOFDIKVRBWJHHD-UHFFFAOYSA-N 0 0 153.181 1.467 10 0 ADAERN C[C@H](O)CCCNc1nccnc1F 402651244 757166753 /nfs/dbraw/zinc/16/67/53/757166753.db2.gz JPVSCMDTHAFAKX-ZETCQYMHSA-N 0 0 199.229 1.189 10 0 ADAERN CCC(=O)[C@@H](O)C(C)(C)C 196168728 571986574 /nfs/dbraw/zinc/98/65/74/571986574.db2.gz JSLPVOWQFXBZJF-SSDOTTSWSA-N 0 0 144.214 1.373 10 0 ADAERN Fc1nccnc1N[C@H]1C[C@@H]2C[C@@H]2C1 402603444 757166892 /nfs/dbraw/zinc/16/68/92/757166892.db2.gz LSLAXFDWXZZPAU-RNLVFQAGSA-N 0 0 193.225 1.248 10 0 ADAERN OCCCCCNc1nccnc1F 402665481 757166981 /nfs/dbraw/zinc/16/69/81/757166981.db2.gz QMYXFJRPHKQMOV-UHFFFAOYSA-N 0 0 199.229 1.190 10 0 ADAERN CN(CCC1CC1)c1nccnc1F 402607984 757167101 /nfs/dbraw/zinc/16/71/01/757167101.db2.gz VJOKZIRCZZVMJJ-UHFFFAOYSA-N 0 0 195.241 1.852 10 0 ADAERN C[C@H]1CCN(c2nccnc2F)[C@@H]1C 402720648 757167144 /nfs/dbraw/zinc/16/71/44/757167144.db2.gz MXSQLLRKMOIHFE-JGVFFNPUSA-N 0 0 195.241 1.850 10 0 ADAERN Fc1nccnc1NCC1CCCC1 402727850 757167400 /nfs/dbraw/zinc/16/74/00/757167400.db2.gz AUUAKPNJZIEIED-UHFFFAOYSA-N 0 0 195.241 1.640 10 0 ADAERN CC(C)C[C@H](C)Nc1nccnc1F 402595648 757167414 /nfs/dbraw/zinc/16/74/14/757167414.db2.gz HSHUBNHRWFNNAY-QMMMGPOBSA-N 0 0 197.257 1.884 10 0 ADAERN Fc1nccnc1N1CCC2(CC2)C1 402592976 757167426 /nfs/dbraw/zinc/16/74/26/757167426.db2.gz GFQNWZOBJRNPPV-UHFFFAOYSA-N 0 0 193.225 1.606 10 0 ADAERN CCN(C(=O)OC)[C@@H]1CCCOC1 402686899 757167515 /nfs/dbraw/zinc/16/75/15/757167515.db2.gz AWAWATJKMGADCB-MRVPVSSYSA-N 0 0 187.239 1.254 10 0 ADAERN CCOC(=O)NC[C@@H](C)CC 81559987 571986936 /nfs/dbraw/zinc/98/69/36/571986936.db2.gz BBKGDUAPFKZUQN-ZETCQYMHSA-N 0 0 159.229 1.779 10 0 ADAERN CCC1(C)CN(c2nccnc2F)C1 402722528 757167521 /nfs/dbraw/zinc/16/75/21/757167521.db2.gz NSXOIJXOTXKTFT-UHFFFAOYSA-N 0 0 195.241 1.852 10 0 ADAERN CON(C)C(=O)[C@H](C)CC(F)(F)F 402528305 757167536 /nfs/dbraw/zinc/16/75/36/757167536.db2.gz SKKJLMBIIUTEOS-RXMQYKEDSA-N 0 0 199.172 1.595 10 0 ADAERN C[C@H]1CC[C@@H](Nc2nccnc2F)C1 402613279 757167543 /nfs/dbraw/zinc/16/75/43/757167543.db2.gz YEFMKJAIKBGQIE-JGVFFNPUSA-N 0 0 195.241 1.638 10 0 ADAERN CO[C@@H](C)CCNc1nccnc1F 402662686 757167546 /nfs/dbraw/zinc/16/75/46/757167546.db2.gz PENMOAHRQOEDSG-ZETCQYMHSA-N 0 0 199.229 1.453 10 0 ADAERN CC[C@H]1CCN(c2nccnc2F)C1 402583057 757167560 /nfs/dbraw/zinc/16/75/60/757167560.db2.gz FVDWPRYHEMPFCI-QMMMGPOBSA-N 0 0 195.241 1.852 10 0 ADAERN COCCCN(C)c1nccnc1F 402676601 757167564 /nfs/dbraw/zinc/16/75/64/757167564.db2.gz VJBDZFXIQCHWCV-UHFFFAOYSA-N 0 0 199.229 1.088 10 0 ADAERN CCC(=O)N1CC[N@@H+](C2CC2)C[C@H]1C 402577882 757167569 /nfs/dbraw/zinc/16/75/69/757167569.db2.gz IRXRLQINPPCWHI-SECBINFHSA-N 0 0 196.294 1.092 10 0 ADAERN CCONC(=O)[C@H](C)CC(F)(F)F 402507675 757167618 /nfs/dbraw/zinc/16/76/18/757167618.db2.gz GHMOHUGFKRCJOX-RXMQYKEDSA-N 0 0 199.172 1.643 10 0 ADAERN O[C@H]1CC[C@H](O)[C@@H]2CCCC[C@@H]12 13551371 571986943 /nfs/dbraw/zinc/98/69/43/571986943.db2.gz FHJSOCHUPDXCJI-IMSYWVGJSA-N 0 0 170.252 1.308 10 0 ADAERN CCC(C)(C)CNc1nccnc1F 402602044 757167760 /nfs/dbraw/zinc/16/77/60/757167760.db2.gz KYVRNYUVEJAKRU-UHFFFAOYSA-N 0 0 197.257 1.886 10 0 ADAERN CC1(C)C[C@@H]1CNc1nccnc1F 402604862 757167781 /nfs/dbraw/zinc/16/77/81/757167781.db2.gz TXLVGUHJCKBNMN-SSDOTTSWSA-N 0 0 195.241 1.496 10 0 ADAERN COC(=O)[C@H](NC(C)C)C(C)C 68740483 571986950 /nfs/dbraw/zinc/98/69/50/571986950.db2.gz UKCDSLLDLDNZNK-MRVPVSSYSA-N 0 0 173.256 1.182 10 0 ADAERN C/C=C\C(=O)N(CC)[C@@H]1CCCOC1 402732231 757167960 /nfs/dbraw/zinc/16/79/60/757167960.db2.gz OHAYJSXXUPGVCJ-XICOKMJESA-N 0 0 197.278 1.590 10 0 ADAERN CCOC(=O)N(C)C[C@H]1C[C@H]1C 81560092 571986960 /nfs/dbraw/zinc/98/69/60/571986960.db2.gz MYMIIWRLHQSFBQ-HTQZYQBOSA-N 0 0 171.240 1.731 10 0 ADAERN C[C@@H](C1CC1)N(C)c1nccnc1F 402732692 757168067 /nfs/dbraw/zinc/16/80/67/757168067.db2.gz DGIAVHOCVDHNCW-ZETCQYMHSA-N 0 0 195.241 1.850 10 0 ADAERN C[C@@H](CC(F)(F)F)C(=O)N(C)C 402519473 757168173 /nfs/dbraw/zinc/16/81/73/757168173.db2.gz NGLVSOSZQDCEPE-YFKPBYRVSA-N 0 0 183.173 1.663 10 0 ADAERN C[C@H]1C[C@H](C)N(c2nccnc2F)C1 402614018 757168379 /nfs/dbraw/zinc/16/83/79/757168379.db2.gz YKWVWSFMHQHYEG-YUMQZZPRSA-N 0 0 195.241 1.850 10 0 ADAERN Fc1nccnc1N1C2CCC1CC2 402611350 757168422 /nfs/dbraw/zinc/16/84/22/757168422.db2.gz PKKQNWQDXMSHQB-UHFFFAOYSA-N 0 0 193.225 1.747 10 0 ADAERN C/C=C\C(=O)N(CC)[C@H]1CCCOC1 402732228 757168691 /nfs/dbraw/zinc/16/86/91/757168691.db2.gz OHAYJSXXUPGVCJ-NWPZZWLHSA-N 0 0 197.278 1.590 10 0 ADAERN c1ccc(CO[C@H]2CCOC2)nc1 114049213 571987528 /nfs/dbraw/zinc/98/75/28/571987528.db2.gz XPBMPKIFSUBHDG-JTQLQIEISA-N 0 0 179.219 1.387 10 0 ADAERN Cc1ccnc(-c2cn[nH]n2)c1 13671905 571987529 /nfs/dbraw/zinc/98/75/29/571987529.db2.gz LDEOQWIISALMBW-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN C[C@@H]1CCCN(c2nccnc2F)C1 402742846 757168802 /nfs/dbraw/zinc/16/88/02/757168802.db2.gz JCWZSCUBEYIIAC-MRVPVSSYSA-N 0 0 195.241 1.852 10 0 ADAERN C[C@H]1CC[C@H](Nc2nccnc2F)C1 402613281 757168826 /nfs/dbraw/zinc/16/88/26/757168826.db2.gz YEFMKJAIKBGQIE-YUMQZZPRSA-N 0 0 195.241 1.638 10 0 ADAERN CCC1(Nc2nccnc2F)CC1 402682072 757168862 /nfs/dbraw/zinc/16/88/62/757168862.db2.gz IMHSWHHRKKKFLJ-UHFFFAOYSA-N 0 0 181.214 1.970 10 0 ADAERN C[C@H](CO)Sc1nccnc1F 402740352 757168896 /nfs/dbraw/zinc/16/88/96/757168896.db2.gz HUZSQEAHMJJPMG-RXMQYKEDSA-N 0 0 188.227 1.089 10 0 ADAERN C[C@@H](O)CCCNc1nccnc1F 402651241 757169028 /nfs/dbraw/zinc/16/90/28/757169028.db2.gz JPVSCMDTHAFAKX-SSDOTTSWSA-N 0 0 199.229 1.189 10 0 ADAERN C[C@H](Nc1nccnc1F)C1CCC1 402589467 757169097 /nfs/dbraw/zinc/16/90/97/757169097.db2.gz KGZYJJDEVLBULE-ZETCQYMHSA-N 0 0 195.241 1.638 10 0 ADAERN CC/C=C\CNc1nccnc1F 402680697 757169187 /nfs/dbraw/zinc/16/91/87/757169187.db2.gz HIBUUKBJYCMYND-ARJAWSKDSA-N 0 0 181.214 1.994 10 0 ADAERN C[C@H](CC(=O)[O-])[N@@H+]1CC[C@H](CF)C1 711478368 571987545 /nfs/dbraw/zinc/98/75/45/571987545.db2.gz SVSLOCPFXBVUKU-HTQZYQBOSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2nccnc2F)C1 402614015 757169376 /nfs/dbraw/zinc/16/93/76/757169376.db2.gz YKWVWSFMHQHYEG-JGVFFNPUSA-N 0 0 195.241 1.850 10 0 ADAERN CC[C@@H](C)c1noc(C[C@H](C)O)n1 82563106 572053109 /nfs/dbraw/zinc/05/31/09/572053109.db2.gz ZSEWMXNGUDNBIM-RQJHMYQMSA-N 0 0 184.239 1.506 10 0 ADAERN CCOC(=O)c1cn([C@H]2C[C@@H]2C)cn1 300851979 571987558 /nfs/dbraw/zinc/98/75/58/571987558.db2.gz FKIZRWIQBMIGCE-CBAPKCEASA-N 0 0 194.234 1.641 10 0 ADAERN C[C@H]1CCN(c2nccnc2F)[C@H]1C 402720654 757169441 /nfs/dbraw/zinc/16/94/41/757169441.db2.gz MXSQLLRKMOIHFE-YUMQZZPRSA-N 0 0 195.241 1.850 10 0 ADAERN C[C@H](CNc1nccnc1F)C1CC1 402576586 757169470 /nfs/dbraw/zinc/16/94/70/757169470.db2.gz AFCZDUCULCUAFM-SSDOTTSWSA-N 0 0 195.241 1.496 10 0 ADAERN CC[C@@H](C)[C@H](C)Nc1nccnc1F 402591572 757169581 /nfs/dbraw/zinc/16/95/81/757169581.db2.gz FJDRMDLRXDYZHO-SFYZADRCSA-N 0 0 197.257 1.884 10 0 ADAERN CCN(C(=O)OC)[C@H]1CCCOC1 402686902 757169647 /nfs/dbraw/zinc/16/96/47/757169647.db2.gz AWAWATJKMGADCB-QMMMGPOBSA-N 0 0 187.239 1.254 10 0 ADAERN CCONC(=O)[C@@H](C)CC(F)(F)F 402507678 757169724 /nfs/dbraw/zinc/16/97/24/757169724.db2.gz GHMOHUGFKRCJOX-YFKPBYRVSA-N 0 0 199.172 1.643 10 0 ADAERN COCCSc1nccnc1F 402727136 757169800 /nfs/dbraw/zinc/16/98/00/757169800.db2.gz ATSPEQIKWQRNCQ-UHFFFAOYSA-N 0 0 188.227 1.354 10 0 ADAERN CCOCCN(C)c1nccnc1F 402671898 757169902 /nfs/dbraw/zinc/16/99/02/757169902.db2.gz SUEDPYMGCUVQLY-UHFFFAOYSA-N 0 0 199.229 1.088 10 0 ADAERN CCC(CC)COC(=O)C1(N)CC1 300853795 571987580 /nfs/dbraw/zinc/98/75/80/571987580.db2.gz MENYKECSEHHYTI-UHFFFAOYSA-N 0 0 185.267 1.457 10 0 ADAERN C[C@@H]1CC[C@@H](Nc2nccnc2F)C1 402613278 757170041 /nfs/dbraw/zinc/17/00/41/757170041.db2.gz YEFMKJAIKBGQIE-HTQZYQBOSA-N 0 0 195.241 1.638 10 0 ADAERN Fc1nccnc1NCCC1CC1 402758827 757170072 /nfs/dbraw/zinc/17/00/72/757170072.db2.gz DLFQOLQNVVULAC-UHFFFAOYSA-N 0 0 181.214 1.828 10 0 ADAERN C[C@H](C1CC1)N(C)c1nccnc1F 402732691 757170247 /nfs/dbraw/zinc/17/02/47/757170247.db2.gz DGIAVHOCVDHNCW-SSDOTTSWSA-N 0 0 195.241 1.850 10 0 ADAERN Fc1nccnc1NC1CCCCC1 402741527 757170455 /nfs/dbraw/zinc/17/04/55/757170455.db2.gz IQWIUSNMLKUGCC-UHFFFAOYSA-N 0 0 195.241 2.360 10 0 ADAERN CCN(CCOC)c1nccnc1F 402681905 757170484 /nfs/dbraw/zinc/17/04/84/757170484.db2.gz XNOBSLVSBBIVTA-UHFFFAOYSA-N 0 0 199.229 1.088 10 0 ADAERN CC/C=C/CNc1nccnc1F 402680699 757170544 /nfs/dbraw/zinc/17/05/44/757170544.db2.gz HIBUUKBJYCMYND-ONEGZZNKSA-N 0 0 181.214 1.994 10 0 ADAERN CC1(C)CC(Nc2nccnc2F)C1 402600386 757170760 /nfs/dbraw/zinc/17/07/60/757170760.db2.gz QRLZWLMJCSMBIZ-UHFFFAOYSA-N 0 0 195.241 1.638 10 0 ADAERN CC1(C)CC[C@H]1Nc1nccnc1F 402578669 757171026 /nfs/dbraw/zinc/17/10/26/757171026.db2.gz BLJQIIWHVNNYMF-SSDOTTSWSA-N 0 0 195.241 1.638 10 0 ADAERN CC[C@@H]1C[C@H]1CNc1nccnc1F 402742444 757172177 /nfs/dbraw/zinc/17/21/77/757172177.db2.gz WYXCDECQXZSXFO-SFYZADRCSA-N 0 0 195.241 1.496 10 0 ADAERN C[C@@H]1SC(=S)[N-][C@@H]1C 34079396 572053344 /nfs/dbraw/zinc/05/33/44/572053344.db2.gz MTXBRGYMPMRAOE-DMTCNVIQSA-N 0 0 147.268 1.385 10 0 ADAERN C[C@@H]1CCN(c2nccnc2F)[C@@H]1C 402720644 757171173 /nfs/dbraw/zinc/17/11/73/757171173.db2.gz MXSQLLRKMOIHFE-HTQZYQBOSA-N 0 0 195.241 1.850 10 0 ADAERN CN(CC1CCC1)c1nccnc1F 402616137 757171304 /nfs/dbraw/zinc/17/13/04/757171304.db2.gz ZNPZGXSDDJDQRM-UHFFFAOYSA-N 0 0 195.241 1.852 10 0 ADAERN CC1(CNc2nccnc2F)CCC1 402592299 757171356 /nfs/dbraw/zinc/17/13/56/757171356.db2.gz MIIOVOBWJKJPOM-UHFFFAOYSA-N 0 0 195.241 1.640 10 0 ADAERN CCC(CC)CNc1nccnc1F 402587248 757171368 /nfs/dbraw/zinc/17/13/68/757171368.db2.gz BJQZUXZCIVONIQ-UHFFFAOYSA-N 0 0 197.257 1.886 10 0 ADAERN CC1(C)CC[C@@H]1Nc1nccnc1F 402578670 757171690 /nfs/dbraw/zinc/17/16/90/757171690.db2.gz BLJQIIWHVNNYMF-ZETCQYMHSA-N 0 0 195.241 1.638 10 0 ADAERN CC[C@H](C)c1noc(NCCOC)n1 82562835 572053353 /nfs/dbraw/zinc/05/33/53/572053353.db2.gz SOOGFWKMFHFEIE-ZETCQYMHSA-N 0 0 199.254 1.641 10 0 ADAERN CCC(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C 402577884 757171780 /nfs/dbraw/zinc/17/17/80/757171780.db2.gz IRXRLQINPPCWHI-VIFPVBQESA-N 0 0 196.294 1.092 10 0 ADAERN CC(C)(O)CCNc1nccnc1F 402653800 757171867 /nfs/dbraw/zinc/17/18/67/757171867.db2.gz KUCYERPXNUFZHE-UHFFFAOYSA-N 0 0 199.229 1.189 10 0 ADAERN CO[C@H](C)CN(C)c1nccnc1F 402646418 757171895 /nfs/dbraw/zinc/17/18/95/757171895.db2.gz HIMYBMAXFLRAHV-SSDOTTSWSA-N 0 0 199.229 1.087 10 0 ADAERN CC(=O)Oc1cc2[nH]ccc2cc1O 139913656 571990289 /nfs/dbraw/zinc/99/02/89/571990289.db2.gz XSWSZHAJYJGJLX-UHFFFAOYSA-N 0 0 191.186 1.799 10 0 ADAERN Fc1nccnc1N1CCCCCC1 402731351 757172126 /nfs/dbraw/zinc/17/21/26/757172126.db2.gz CUFPGTIAYGTPTO-UHFFFAOYSA-N 0 0 195.241 1.996 10 0 ADAERN C[C@H](c1ccsc1)N(O)C(N)=O 13762879 571990301 /nfs/dbraw/zinc/99/03/01/571990301.db2.gz PFMLWNKVWINRRO-RXMQYKEDSA-N 0 0 186.236 1.579 10 0 ADAERN CC[C@H]([C@@H](C)CC(=O)[O-])[NH+]1CCCC1 74214776 571990310 /nfs/dbraw/zinc/99/03/10/571990310.db2.gz ATJGMHFPZOBTBI-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@]1(C(C)C)CCOC1=O 13734071 571990313 /nfs/dbraw/zinc/99/03/13/571990313.db2.gz RQXMJDAZNMCZLO-VIFPVBQESA-N 0 0 156.225 1.986 10 0 in-vivo ADAERN CC1(Nc2nccnc2F)CCCC1 402811015 757172716 /nfs/dbraw/zinc/17/27/16/757172716.db2.gz UOTZVZREVUPOLB-UHFFFAOYSA-N 0 0 195.241 1.782 10 0 ADAERN CC(C)CNc1nccnc1F 402804878 757173095 /nfs/dbraw/zinc/17/30/95/757173095.db2.gz YTCRROVRGHUERG-UHFFFAOYSA-N 0 0 169.203 1.684 10 0 ADAERN OC[C@@H]1C[C@@H]1c1cccc2c1CCO2 139928312 571990329 /nfs/dbraw/zinc/99/03/29/571990329.db2.gz BMIOQCCAVKGDBY-KWQFWETISA-N 0 0 190.242 1.717 10 0 ADAERN Fc1nccnc1NCC(F)(F)F 402799391 757173196 /nfs/dbraw/zinc/17/31/96/757173196.db2.gz OMQKKEWNOIPPLP-UHFFFAOYSA-N 0 0 195.119 1.590 10 0 ADAERN CCC(C)(C)Nc1nccnc1F 402829211 757173312 /nfs/dbraw/zinc/17/33/12/757173312.db2.gz KNAFKVNTNQWIAD-UHFFFAOYSA-N 0 0 183.230 2.216 10 0 ADAERN C[C@H]1CCCCN1c1nccnc1F 402799483 757173342 /nfs/dbraw/zinc/17/33/42/757173342.db2.gz OUXHSXXVIVCFSP-QMMMGPOBSA-N 0 0 195.241 1.995 10 0 ADAERN CCCN(C)c1nccnc1F 402800371 757173358 /nfs/dbraw/zinc/17/33/58/757173358.db2.gz WUXHSBKRUICNBC-UHFFFAOYSA-N 0 0 169.203 1.462 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1nccnc1F 402800538 757173390 /nfs/dbraw/zinc/17/33/90/757173390.db2.gz PHGZHZBFFLSIGT-JGVFFNPUSA-N 0 0 195.241 1.638 10 0 ADAERN CC1(C)CCCN1c1nccnc1F 402815920 757173416 /nfs/dbraw/zinc/17/34/16/757173416.db2.gz WPKXXJHNYNCQEN-UHFFFAOYSA-N 0 0 195.241 1.995 10 0 ADAERN Cn1cncc1C[C@@H](O)CCC1CC1 401763762 571985589 /nfs/dbraw/zinc/98/55/89/571985589.db2.gz XAXOHIUOSRAFJH-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1nccnc1F 402859748 757173497 /nfs/dbraw/zinc/17/34/97/757173497.db2.gz XFVPQAIEQGHONI-BQBZGAKWSA-N 0 0 181.214 1.826 10 0 ADAERN CCCN(CC)c1nccnc1F 402850740 757173543 /nfs/dbraw/zinc/17/35/43/757173543.db2.gz SLYIMINXHVEWPK-UHFFFAOYSA-N 0 0 183.230 1.852 10 0 ADAERN CCC[C@H](C)Nc1nccnc1F 402863707 757173644 /nfs/dbraw/zinc/17/36/44/757173644.db2.gz YRLIPRSQQSUGDU-ZETCQYMHSA-N 0 0 183.230 1.638 10 0 ADAERN CC(C)ONC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403321445 757178870 /nfs/dbraw/zinc/17/88/70/757178870.db2.gz AJDNWXHCQDVYTQ-AEJSXWLSSA-N 0 0 197.278 1.879 10 0 ADAERN CC[C@H](Nc1nccnc1F)C1CC1 402814610 757173689 /nfs/dbraw/zinc/17/36/89/757173689.db2.gz WDCVXCAKPQRIIQ-QMMMGPOBSA-N 0 0 195.241 1.638 10 0 ADAERN O=C1CCCCC[C@@H]1n1cncn1 34092425 572054428 /nfs/dbraw/zinc/05/44/28/572054428.db2.gz PNKASMATOJUVNA-QMMMGPOBSA-N 0 0 179.223 1.352 10 0 ADAERN Fc1nccnc1N[C@@H]1CC=CCC1 402792380 757173836 /nfs/dbraw/zinc/17/38/36/757173836.db2.gz LSIFWWKNOSDBQJ-MRVPVSSYSA-N 0 0 193.225 1.558 10 0 ADAERN CCN(CC)c1nccnc1F 402767128 757173917 /nfs/dbraw/zinc/17/39/17/757173917.db2.gz HCKFFJBPHLVOHG-UHFFFAOYSA-N 0 0 169.203 1.462 10 0 ADAERN CCCN(c1nccnc1F)C1CC1 402796063 757173938 /nfs/dbraw/zinc/17/39/38/757173938.db2.gz NCKCLHVPMPBHKM-UHFFFAOYSA-N 0 0 195.241 1.995 10 0 ADAERN CC[C@@H](Nc1nccnc1F)C1CC1 402814609 757174076 /nfs/dbraw/zinc/17/40/76/757174076.db2.gz WDCVXCAKPQRIIQ-MRVPVSSYSA-N 0 0 195.241 1.638 10 0 ADAERN Cc1ccccc1C1=N[C@H](C)ON1 34156186 572060155 /nfs/dbraw/zinc/06/01/55/572060155.db2.gz LHQDZYQGHBFNFS-QMMMGPOBSA-N 0 0 176.219 1.622 10 0 ADAERN C[C@H]1C[C@@H]1CNc1nccnc1F 402849075 757174303 /nfs/dbraw/zinc/17/43/03/757174303.db2.gz RTTVNFPESDAINP-NKWVEPMBSA-N 0 0 181.214 1.684 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1nccnc1F 402809454 757174353 /nfs/dbraw/zinc/17/43/53/757174353.db2.gz DEHDGGLGEBAIFK-RNFRBKRXSA-N 0 0 181.214 1.826 10 0 ADAERN Fc1nccnc1NC1CCC1 402791873 757174519 /nfs/dbraw/zinc/17/45/19/757174519.db2.gz SLZQUQRHARRMFG-UHFFFAOYSA-N 0 0 167.187 1.580 10 0 ADAERN CC[C@H](C)N(C)c1nccnc1F 402816301 757174441 /nfs/dbraw/zinc/17/44/41/757174441.db2.gz GFMKVZTXUVSYND-ZETCQYMHSA-N 0 0 183.230 1.850 10 0 ADAERN CC(C)(C)OC(=O)N[C@H]1C[C@H]1F 34169527 572060170 /nfs/dbraw/zinc/06/01/70/572060170.db2.gz VWSDKMQGCVVQBV-RITPCOANSA-N 0 0 175.203 1.622 10 0 ADAERN C[C@@H](Nc1nccnc1F)C1CC1 402801372 757174761 /nfs/dbraw/zinc/17/47/61/757174761.db2.gz XJFWBQKNOLYNCF-ZCFIWIBFSA-N 0 0 181.214 1.826 10 0 ADAERN CN(CC(F)F)c1nccnc1F 402810315 757174867 /nfs/dbraw/zinc/17/48/67/757174867.db2.gz UHPPNRAAOFXTCG-UHFFFAOYSA-N 0 0 191.156 1.317 10 0 ADAERN c1ncn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 403172667 757174899 /nfs/dbraw/zinc/17/48/99/757174899.db2.gz NZXXFRXZIQIHLP-BBBLOLIVSA-N 0 0 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183.251 1.943 10 0 ADAERN CCN(CC)C(=O)c1oncc1C 82316432 572020009 /nfs/dbraw/zinc/02/00/09/572020009.db2.gz ZKIJQSHKZMOQSA-UHFFFAOYSA-N 0 0 182.223 1.465 10 0 ADAERN CC[C@H](O)[C@@H]1CC1(C)C 234060953 572143758 /nfs/dbraw/zinc/14/37/58/572143758.db2.gz LCVUMFPPRFJBOT-BQBZGAKWSA-N 0 0 128.215 1.803 10 0 ADAERN Cc1ccc(OCCN(C)N)cc1C 71506896 572143759 /nfs/dbraw/zinc/14/37/59/572143759.db2.gz FJUKGDRMRMKQMC-UHFFFAOYSA-N 0 0 194.278 1.488 10 0 ADAERN CCOc1cccc2c1OCC[C@@H]2O 33495032 572020010 /nfs/dbraw/zinc/02/00/10/572020010.db2.gz OFECURUZIRTBQN-VIFPVBQESA-N 0 0 194.230 1.901 10 0 ADAERN C[C@H]1C[C@H](OCCC(N)=O)CC[C@H]1C 82841057 572149294 /nfs/dbraw/zinc/14/92/94/572149294.db2.gz AKVRLMUIFGDDRD-KXUCPTDWSA-N 0 0 199.294 1.703 10 0 ADAERN CCCN1C(=O)CN([C@H](C)CC)C1=O 37475288 572149295 /nfs/dbraw/zinc/14/92/95/572149295.db2.gz FOIZIGNQHCRAHZ-MRVPVSSYSA-N 0 0 198.266 1.459 10 0 ADAERN CC1(C)C[C@H]1C(=O)C(F)F 687699064 572020274 /nfs/dbraw/zinc/02/02/74/572020274.db2.gz 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/nfs/dbraw/zinc/02/23/53/572022353.db2.gz QQOWYPNCIAJICO-QMMMGPOBSA-N 0 0 170.208 1.658 10 0 ADAERN CC(C)(C)[C@@H](O)CO[C@H]1CCOC1 82455176 572022362 /nfs/dbraw/zinc/02/23/62/572022362.db2.gz TYBOTLYRVPTIES-IUCAKERBSA-N 0 0 188.267 1.199 10 0 ADAERN CSCCCNC(=O)n1ccnc1 69014681 572022364 /nfs/dbraw/zinc/02/23/64/572022364.db2.gz KSZPOCYTUNGPIF-UHFFFAOYSA-N 0 0 199.279 1.194 10 0 ADAERN Cc1nccn1Cn1cc(Cl)cn1 585118925 757244783 /nfs/dbraw/zinc/24/47/83/757244783.db2.gz IPAKNAQPHDOIKW-UHFFFAOYSA-N 0 0 196.641 1.547 10 0 ADAERN CCCCCNc1ncc(C=O)cn1 585118145 757244923 /nfs/dbraw/zinc/24/49/23/757244923.db2.gz DLVDQBKZNJZLAU-UHFFFAOYSA-N 0 0 193.250 1.891 10 0 ADAERN Cc1nccc(OC[C@@H]2CCCO2)n1 585652041 757245426 /nfs/dbraw/zinc/24/54/26/757245426.db2.gz KDJHOCZKEHQLEW-VIFPVBQESA-N 0 0 194.234 1.343 10 0 ADAERN CCCC[C@H](N)C(=O)OCCC 35411578 572023389 /nfs/dbraw/zinc/02/33/89/572023389.db2.gz AIGOQMOBGLTKPZ-QMMMGPOBSA-N 0 0 173.256 1.457 10 0 ADAERN Cc1nccnc1O[C@@H](C)C1CC1 585651894 757245504 /nfs/dbraw/zinc/24/55/04/757245504.db2.gz RFASWBNTJWXRTJ-QMMMGPOBSA-N 0 0 178.235 1.962 10 0 ADAERN Cc1nccc(OC2CCOCC2)n1 585652796 757245550 /nfs/dbraw/zinc/24/55/50/757245550.db2.gz WYMUWBPQDSWUNL-UHFFFAOYSA-N 0 0 194.234 1.343 10 0 ADAERN Cc1cncc(OC[C@H]2CCCO2)n1 585652348 757245626 /nfs/dbraw/zinc/24/56/26/757245626.db2.gz XWDLCXAQEKJHCA-SECBINFHSA-N 0 0 194.234 1.343 10 0 ADAERN CC[C@H](C(=O)OC)c1ccnn1C 69021149 572023398 /nfs/dbraw/zinc/02/33/98/572023398.db2.gz COBICCXTAQZTGS-ZETCQYMHSA-N 0 0 182.223 1.087 10 0 ADAERN CCCn1nccc1[C@H](O)C(C)C 69023102 572023399 /nfs/dbraw/zinc/02/33/99/572023399.db2.gz KGRKWANDADBXDE-SNVBAGLBSA-N 0 0 182.267 1.983 10 0 ADAERN Cc1ncnc(O[C@@H]2CCOC2)c1C 585652691 757245692 /nfs/dbraw/zinc/24/56/92/757245692.db2.gz SONCPHXCHCBUTP-SECBINFHSA-N 0 0 194.234 1.261 10 0 ADAERN c1ccc(OC[C@H]2CCCOC2)nc1 585654145 757245745 /nfs/dbraw/zinc/24/57/45/757245745.db2.gz DLLJVSUGYODHBF-JTQLQIEISA-N 0 0 193.246 1.887 10 0 ADAERN Cc1csc(O[C@H]2CCOC2)n1 585652103 757245835 /nfs/dbraw/zinc/24/58/35/757245835.db2.gz KRAJNLVAIKMBAX-ZETCQYMHSA-N 0 0 185.248 1.619 10 0 ADAERN CCOCCCn1cccc1C=O 35431353 572023405 /nfs/dbraw/zinc/02/34/05/572023405.db2.gz VHXVGQXDHMOVEA-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN Fc1ccc(OC[C@@H]2CCCO2)nc1 585653221 757245874 /nfs/dbraw/zinc/24/58/74/757245874.db2.gz CKKOLCRPLMDBCA-VIFPVBQESA-N 0 0 197.209 1.779 10 0 ADAERN C[C@H]1CC[C@H](OCCO)C[C@@H]1C 82841078 572149975 /nfs/dbraw/zinc/14/99/75/572149975.db2.gz KMRHNDSQSYPVJC-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN c1cnc(OC[C@@H]2CCCO2)cn1 585655014 757245995 /nfs/dbraw/zinc/24/59/95/757245995.db2.gz QOIVSJQPNXUEEJ-QMMMGPOBSA-N 0 0 180.207 1.034 10 0 ADAERN Cc1ncnc(OCC2CC2)c1C 585652737 757246067 /nfs/dbraw/zinc/24/60/67/757246067.db2.gz URBBYHZEWBZHHJ-UHFFFAOYSA-N 0 0 178.235 1.882 10 0 ADAERN Cc1nnc(O[C@@H]2CCOC2)s1 585652512 757246401 /nfs/dbraw/zinc/24/64/01/757246401.db2.gz OUSIPXNMHNUXOS-ZCFIWIBFSA-N 0 0 186.236 1.014 10 0 ADAERN CCn1nccc1C(O)(CC)CC 69022615 572023421 /nfs/dbraw/zinc/02/34/21/572023421.db2.gz QTCWJCWDXDBOTL-UHFFFAOYSA-N 0 0 182.267 1.911 10 0 ADAERN Cn1cnc(OC2CCCC2)cc1=O 585652518 757246445 /nfs/dbraw/zinc/24/64/45/757246445.db2.gz OXDTWNFFWNUXFM-UHFFFAOYSA-N 0 0 194.234 1.102 10 0 ADAERN c1cnc(OC2CCCC2)cn1 585654069 757246477 /nfs/dbraw/zinc/24/64/77/757246477.db2.gz CIBGOPXYWRYBJL-UHFFFAOYSA-N 0 0 164.208 1.798 10 0 ADAERN Cc1nccnc1OCC1CC1 585651964 757246514 /nfs/dbraw/zinc/24/65/14/757246514.db2.gz SXKBIWWNVQRFEP-UHFFFAOYSA-N 0 0 164.208 1.574 10 0 ADAERN c1nc2c(c(OCC3CC3)n1)CCC2 585652052 757246549 /nfs/dbraw/zinc/24/65/49/757246549.db2.gz KJQARTSKMPPRRV-UHFFFAOYSA-N 0 0 190.246 1.754 10 0 ADAERN c1cn2nccc2c(OCC2CC2)n1 585652761 757246614 /nfs/dbraw/zinc/24/66/14/757246614.db2.gz VULBAJUPHYESMK-UHFFFAOYSA-N 0 0 189.218 1.518 10 0 ADAERN Clc1cccnc1O[C@H]1CCOC1 585655132 757246639 /nfs/dbraw/zinc/24/66/39/757246639.db2.gz SXJLWCSZXZEGPL-ZETCQYMHSA-N 0 0 199.637 1.903 10 0 ADAERN Fc1cnc(OC2CCOCC2)nc1 585651492 757246724 /nfs/dbraw/zinc/24/67/24/757246724.db2.gz OOSFJDZYNCAGGB-UHFFFAOYSA-N 0 0 198.197 1.174 10 0 ADAERN Cc1nsc(O[C@@H]2CCOC2)n1 585651678 757246827 /nfs/dbraw/zinc/24/68/27/757246827.db2.gz GHQPQPSTVCAVLV-ZCFIWIBFSA-N 0 0 186.236 1.014 10 0 ADAERN Cc1cncc(OCC2CCC2)n1 585652319 757246897 /nfs/dbraw/zinc/24/68/97/757246897.db2.gz XCINGIBKAFWVPE-UHFFFAOYSA-N 0 0 178.235 1.964 10 0 ADAERN C[C@H]1CC[C@@H](NC#N)C[C@@H]1C 82846472 572154188 /nfs/dbraw/zinc/15/41/88/572154188.db2.gz HEWNZMKSRGNZJJ-XHNCKOQMSA-N 0 0 152.241 1.882 10 0 ADAERN Fc1cccnc1OC[C@H]1CCCO1 585654151 757247022 /nfs/dbraw/zinc/24/70/22/757247022.db2.gz DQCYNLADXNEGBL-MRVPVSSYSA-N 0 0 197.209 1.779 10 0 ADAERN c1nc2c(c(OC3CCC3)n1)CCC2 585652685 757247050 /nfs/dbraw/zinc/24/70/50/757247050.db2.gz SKGNMNIYPRLASY-UHFFFAOYSA-N 0 0 190.246 1.897 10 0 ADAERN C[C@H](C[NH2+]C[C@H]1CCC[C@H]1C)C(=O)[O-] 300243148 572024505 /nfs/dbraw/zinc/02/45/05/572024505.db2.gz RQDZJSSKPQDMKE-OPRDCNLKSA-N 0 0 199.294 1.733 10 0 ADAERN Fc1cccnc1O[C@@H]1CCOC1 585653919 757247226 /nfs/dbraw/zinc/24/72/26/757247226.db2.gz AXDKEVQFHYDJGT-SSDOTTSWSA-N 0 0 183.182 1.388 10 0 ADAERN Cc1cc(C(=O)c2cc[nH]n2)oc1C 687700156 572024507 /nfs/dbraw/zinc/02/45/07/572024507.db2.gz SLHTYEBDFOCOKG-UHFFFAOYSA-N 0 0 190.202 1.851 10 0 ADAERN CCCn1nccc1C(=O)CSC 69024318 572024513 /nfs/dbraw/zinc/02/45/13/572024513.db2.gz KWMCYOMLTRSLIU-UHFFFAOYSA-N 0 0 198.291 1.839 10 0 ADAERN CC[C@H](CO)Nc1cccc(OC)n1 82458208 572024516 /nfs/dbraw/zinc/02/45/16/572024516.db2.gz BTNWIZLONSKJJO-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN CCCCOC(C)(C)CO 33608741 572024517 /nfs/dbraw/zinc/02/45/17/572024517.db2.gz WXMNHSVLQBEKCC-UHFFFAOYSA-N 0 0 146.230 1.574 10 0 ADAERN c1cnc(OC[C@@H]2CCCO2)nc1 585654909 757247372 /nfs/dbraw/zinc/24/73/72/757247372.db2.gz VVRYKZXARRCZSA-QMMMGPOBSA-N 0 0 180.207 1.034 10 0 ADAERN C[C@H](Oc1ncccn1)C1CC1 585654553 757247403 /nfs/dbraw/zinc/24/74/03/757247403.db2.gz RXGYLCDGORVMIV-ZETCQYMHSA-N 0 0 164.208 1.654 10 0 ADAERN c1cnc(OC[C@@H]2CCCOC2)nc1 585653481 757247427 /nfs/dbraw/zinc/24/74/27/757247427.db2.gz GDGNTAQIYHSXST-SECBINFHSA-N 0 0 194.234 1.282 10 0 ADAERN c1cnc(OC[C@H]2CCCO2)cn1 585655013 757247450 /nfs/dbraw/zinc/24/74/50/757247450.db2.gz QOIVSJQPNXUEEJ-MRVPVSSYSA-N 0 0 180.207 1.034 10 0 ADAERN CCCn1nccc1[C@@H](O)CCOC 69024565 572024523 /nfs/dbraw/zinc/02/45/23/572024523.db2.gz VLGCFLWPBIPGHP-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN c1cnc(O[C@H]2CCSC2)nc1 585653932 757247547 /nfs/dbraw/zinc/24/75/47/757247547.db2.gz MYGBRDGHFWSJHU-ZETCQYMHSA-N 0 0 182.248 1.361 10 0 ADAERN Cc1cccnc1OC[C@@H]1CCCO1 585655151 757247872 /nfs/dbraw/zinc/24/78/72/757247872.db2.gz VAKCBGKNCYZURF-JTQLQIEISA-N 0 0 193.246 1.948 10 0 ADAERN c1cnc(OC[C@@H]2CCCOC2)cn1 585655252 757247937 /nfs/dbraw/zinc/24/79/37/757247937.db2.gz YYOMQEXIHLTMBY-SECBINFHSA-N 0 0 194.234 1.282 10 0 ADAERN Cc1nc(O[C@@H]2CCOC2)sc1C 585651907 757247969 /nfs/dbraw/zinc/24/79/69/757247969.db2.gz IUBQIDSFPRUKQH-MRVPVSSYSA-N 0 0 199.275 1.928 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ADAERN Cc1nsc(OCC2CC2)n1 585652743 757248339 /nfs/dbraw/zinc/24/83/39/757248339.db2.gz UVZKJHXWBIBYDK-UHFFFAOYSA-N 0 0 170.237 1.635 10 0 ADAERN CO[C@H](C(C)=O)[C@H]1CCSC1 687775151 572026145 /nfs/dbraw/zinc/02/61/45/572026145.db2.gz JIQQEALHNMELRX-JGVFFNPUSA-N 0 0 174.265 1.344 10 0 ADAERN Cn1ccnc(OC2CCCC2)c1=O 585652633 757248542 /nfs/dbraw/zinc/24/85/42/757248542.db2.gz QOOJOSHZJCAKIR-UHFFFAOYSA-N 0 0 194.234 1.102 10 0 ADAERN Cc1cc(O[C@@H]2CCOC2)nc(C)n1 585651665 757250871 /nfs/dbraw/zinc/25/08/71/757250871.db2.gz RMVVWJKUSVJPEW-SECBINFHSA-N 0 0 194.234 1.261 10 0 ADAERN c1ccc(O[C@@H]2CCSC2)nc1 585655213 757248765 /nfs/dbraw/zinc/24/87/65/757248765.db2.gz WZBWTFLSCNJZRT-MRVPVSSYSA-N 0 0 181.260 1.966 10 0 ADAERN c1ccc(OC[C@@H]2CCCOC2)nc1 585654146 757248828 /nfs/dbraw/zinc/24/88/28/757248828.db2.gz DLLJVSUGYODHBF-SNVBAGLBSA-N 0 0 193.246 1.887 10 0 ADAERN Clc1cccnc1O[C@@H]1CCOC1 585655131 757248948 /nfs/dbraw/zinc/24/89/48/757248948.db2.gz SXJLWCSZXZEGPL-SSDOTTSWSA-N 0 0 199.637 1.903 10 0 ADAERN c1cc2nncn2nc1OC1CCC1 585651798 757249125 /nfs/dbraw/zinc/24/91/25/757249125.db2.gz QOGIIAJBJMJQDD-UHFFFAOYSA-N 0 0 190.206 1.056 10 0 ADAERN Cc1nnc(O[C@H]2CCOC2)s1 585652511 757249107 /nfs/dbraw/zinc/24/91/07/757249107.db2.gz OUSIPXNMHNUXOS-LURJTMIESA-N 0 0 186.236 1.014 10 0 ADAERN c1cnc(OC2CCSCC2)nc1 585652156 757249109 /nfs/dbraw/zinc/24/91/09/757249109.db2.gz WYKHDSPAXMXVFZ-UHFFFAOYSA-N 0 0 196.275 1.751 10 0 ADAERN Fc1cccnc1O[C@H]1CCOC1 585653925 757249139 /nfs/dbraw/zinc/24/91/39/757249139.db2.gz AXDKEVQFHYDJGT-ZETCQYMHSA-N 0 0 183.182 1.388 10 0 ADAERN c1cnc(O[C@@H]2CCSC2)cn1 585654122 757249175 /nfs/dbraw/zinc/24/91/75/757249175.db2.gz DBFGTSQYFXHHEH-SSDOTTSWSA-N 0 0 182.248 1.361 10 0 ADAERN Fc1cnc(OC2CCC2)nc1 585651955 757249234 /nfs/dbraw/zinc/24/92/34/757249234.db2.gz SRHWREQIFQITAB-UHFFFAOYSA-N 0 0 168.171 1.547 10 0 ADAERN c1cnc(OCC2CCC2)cn1 585654462 757249305 /nfs/dbraw/zinc/24/93/05/757249305.db2.gz IFHFKMOCJMNJJH-UHFFFAOYSA-N 0 0 164.208 1.656 10 0 ADAERN Cc1ccc(OC[C@@H]2CCCO2)nn1 585652087 757249352 /nfs/dbraw/zinc/24/93/52/757249352.db2.gz VUNLWJDAPIWQNN-VIFPVBQESA-N 0 0 194.234 1.343 10 0 ADAERN CC[C@H](O)c1ccccc1OCCO 35625997 572031425 /nfs/dbraw/zinc/03/14/25/572031425.db2.gz HULDFSZVYKVULA-JTQLQIEISA-N 0 0 196.246 1.501 10 0 ADAERN Nc1[nH]c(N2CCCC2)cc1C=O 75551882 572031428 /nfs/dbraw/zinc/03/14/28/572031428.db2.gz LHMCXJGDHCFLJD-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN Cc1ccnc(OC[C@H]2CCCO2)c1 585654052 757249431 /nfs/dbraw/zinc/24/94/31/757249431.db2.gz BTTONCHVKIURGP-SNVBAGLBSA-N 0 0 193.246 1.948 10 0 ADAERN CCCCCOC(=O)C[S@](C)=O 526871968 572031432 /nfs/dbraw/zinc/03/14/32/572031432.db2.gz RLPGCPMGSXYNTA-LBPRGKRZSA-N 0 0 192.280 1.098 10 0 ADAERN Fc1cccnc1OC[C@@H]1CCCO1 585654152 757249610 /nfs/dbraw/zinc/24/96/10/757249610.db2.gz DQCYNLADXNEGBL-QMMMGPOBSA-N 0 0 197.209 1.779 10 0 ADAERN CC[S@](=O)[C@@H](C)C(=O)OC(C)C 526871579 572031438 /nfs/dbraw/zinc/03/14/38/572031438.db2.gz PHMUHQQMPLVZHR-MADCSZMMSA-N 0 0 192.280 1.095 10 0 ADAERN Cc1cncc(O[C@@H]2CCSC2)n1 585651472 757249739 /nfs/dbraw/zinc/24/97/39/757249739.db2.gz NWXZWQYJMVAUGD-MRVPVSSYSA-N 0 0 196.275 1.669 10 0 ADAERN C[C@@H](Oc1cnccn1)C1CC1 585654568 757249854 /nfs/dbraw/zinc/24/98/54/757249854.db2.gz IYHKXOOYPNIWKZ-SSDOTTSWSA-N 0 0 164.208 1.654 10 0 ADAERN CC(C)[S@](=O)C1CCOCC1 526869793 572031447 /nfs/dbraw/zinc/03/14/47/572031447.db2.gz WZJRFISOCNWYLM-NSHDSACASA-N 0 0 176.281 1.323 10 0 ADAERN c1cn2nc(OCC3CC3)ccc2n1 585652080 757249913 /nfs/dbraw/zinc/24/99/13/757249913.db2.gz VSOLMCZLLZSCCQ-UHFFFAOYSA-N 0 0 189.218 1.518 10 0 ADAERN Cc1nnc(OCC2CC2)s1 585652114 757249957 /nfs/dbraw/zinc/24/99/57/757249957.db2.gz KTVOSJYIANITMA-UHFFFAOYSA-N 0 0 170.237 1.635 10 0 ADAERN Cc1ccc(O[C@H]2CCSC2)nn1 585651795 757250154 /nfs/dbraw/zinc/25/01/54/757250154.db2.gz QMXACVXXHWKYQB-QMMMGPOBSA-N 0 0 196.275 1.669 10 0 ADAERN Cc1nsc(O[C@H]2CCOC2)n1 585651676 757250176 /nfs/dbraw/zinc/25/01/76/757250176.db2.gz GHQPQPSTVCAVLV-LURJTMIESA-N 0 0 186.236 1.014 10 0 ADAERN c1cnc(OC[C@H]2CCCCO2)nc1 585654226 757250239 /nfs/dbraw/zinc/25/02/39/757250239.db2.gz PGBKCIDBNZZABY-SECBINFHSA-N 0 0 194.234 1.425 10 0 ADAERN CC1(C)[C@H]2C[C@@H]1[C@]1(C)NC(=O)[C@@H]1C2 15043163 572031461 /nfs/dbraw/zinc/03/14/61/572031461.db2.gz KUAXJPRPFKYSME-OFHVYEONSA-N 0 0 179.263 1.557 10 0 ADAERN CC(C)C[S@](=O)C(F)F 526870625 572031463 /nfs/dbraw/zinc/03/14/63/572031463.db2.gz LLUOTBJJCZCEIE-VIFPVBQESA-N 0 0 156.197 1.614 10 0 ADAERN Cc1ccnc(OC[C@@H]2CCCO2)c1 585654046 757250517 /nfs/dbraw/zinc/25/05/17/757250517.db2.gz BTTONCHVKIURGP-JTQLQIEISA-N 0 0 193.246 1.948 10 0 ADAERN c1ccc(O[C@H]2CCSC2)nc1 585655214 757250552 /nfs/dbraw/zinc/25/05/52/757250552.db2.gz WZBWTFLSCNJZRT-QMMMGPOBSA-N 0 0 181.260 1.966 10 0 ADAERN COC[C@H](C)Oc1cccc(N)c1C 69901360 572154216 /nfs/dbraw/zinc/15/42/16/572154216.db2.gz JCSIHZKSZGXOPC-QMMMGPOBSA-N 0 0 195.262 1.991 10 0 ADAERN Cc1cc(C)nc(O[C@H]2CCOC2)n1 585652303 757250717 /nfs/dbraw/zinc/25/07/17/757250717.db2.gz WZZAULMBFMPLKZ-VIFPVBQESA-N 0 0 194.234 1.261 10 0 ADAERN NC(=O)c1cc(OC2CCC2)ccn1 585654248 757250908 /nfs/dbraw/zinc/25/09/08/757250908.db2.gz PPVSSMHGOALGIG-UHFFFAOYSA-N 0 0 192.218 1.112 10 0 ADAERN c1cnc(OC[C@H]2CCCOC2)nc1 585653482 757250936 /nfs/dbraw/zinc/25/09/36/757250936.db2.gz GDGNTAQIYHSXST-VIFPVBQESA-N 0 0 194.234 1.282 10 0 ADAERN Cc1nccc(OC[C@H]2CCCO2)n1 585652038 757250958 /nfs/dbraw/zinc/25/09/58/757250958.db2.gz KDJHOCZKEHQLEW-SECBINFHSA-N 0 0 194.234 1.343 10 0 ADAERN Cc1ccc(O[C@@H](C)C2CC2)nn1 585651459 757251077 /nfs/dbraw/zinc/25/10/77/757251077.db2.gz NLSLGJPNUXADOQ-QMMMGPOBSA-N 0 0 178.235 1.962 10 0 ADAERN Cc1nnc(OC2CCC2)s1 585652408 757251122 /nfs/dbraw/zinc/25/11/22/757251122.db2.gz MPCKQEQIYBJCFS-UHFFFAOYSA-N 0 0 170.237 1.778 10 0 ADAERN Cc1nccnc1O[C@H]1CCSC1 585651424 757251153 /nfs/dbraw/zinc/25/11/53/757251153.db2.gz MBTQBOZZIVMTGX-QMMMGPOBSA-N 0 0 196.275 1.669 10 0 ADAERN c1cnc(OC2CCSCC2)cn1 585654439 757251200 /nfs/dbraw/zinc/25/12/00/757251200.db2.gz HYQCJRCDNSGDLD-UHFFFAOYSA-N 0 0 196.275 1.751 10 0 ADAERN CCCOC(=O)[C@@H](CC)[S@@](C)=O 526872351 572031495 /nfs/dbraw/zinc/03/14/95/572031495.db2.gz VVEHWTIOKGMUIT-JMCQJSRRSA-N 0 0 192.280 1.097 10 0 ADAERN Cc1cccnc1OC[C@H]1CCCO1 585655152 757251262 /nfs/dbraw/zinc/25/12/62/757251262.db2.gz VAKCBGKNCYZURF-SNVBAGLBSA-N 0 0 193.246 1.948 10 0 ADAERN c1cnc(OC2CCC2)cn1 585654399 757251452 /nfs/dbraw/zinc/25/14/52/757251452.db2.gz HQQJXOUYODAXRA-UHFFFAOYSA-N 0 0 150.181 1.408 10 0 ADAERN C[NH+](C)C[C@H]1CNc2ccoc2S1 75596238 572031513 /nfs/dbraw/zinc/03/15/13/572031513.db2.gz UMMXDFRWGOEEOY-SSDOTTSWSA-N 0 0 198.291 1.727 10 0 ADAERN CC[C@H](C(=O)OC)[S@](=O)C(C)C 526869126 572031523 /nfs/dbraw/zinc/03/15/23/572031523.db2.gz HRKCNDSUZSFZLM-JMCQJSRRSA-N 0 0 192.280 1.095 10 0 ADAERN Cc1ccc(OCC2CCC2)nn1 585652091 757251755 /nfs/dbraw/zinc/25/17/55/757251755.db2.gz VYGISLWMHUTKIB-UHFFFAOYSA-N 0 0 178.235 1.964 10 0 ADAERN CCCC[C@H](O)[C@H](C)COC 69903973 572154224 /nfs/dbraw/zinc/15/42/24/572154224.db2.gz IRPGWYURCKUHOL-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN Cc1cncc(OC2CCC2)n1 585651943 757251831 /nfs/dbraw/zinc/25/18/31/757251831.db2.gz SOCLJMIJYCCEJG-UHFFFAOYSA-N 0 0 164.208 1.716 10 0 ADAERN Cc1c([C@H]2CCC(=O)O2)cnn1C 235834846 572034979 /nfs/dbraw/zinc/03/49/79/572034979.db2.gz VSKZYJRDQAORJN-MRVPVSSYSA-N 0 0 180.207 1.107 10 0 ADAERN c1cnc(OC[C@H]2CCCOC2)cn1 585655253 757252016 /nfs/dbraw/zinc/25/20/16/757252016.db2.gz YYOMQEXIHLTMBY-VIFPVBQESA-N 0 0 194.234 1.282 10 0 ADAERN Fc1cnc(OCC2CC2)nc1 585651773 757252101 /nfs/dbraw/zinc/25/21/01/757252101.db2.gz PZVMEKKZWBIJGX-UHFFFAOYSA-N 0 0 168.171 1.405 10 0 ADAERN c1csc(OCC2CC2)n1 585652365 757252131 /nfs/dbraw/zinc/25/21/31/757252131.db2.gz YUSDENZCCBJHIX-UHFFFAOYSA-N 0 0 155.222 1.932 10 0 ADAERN Cc1nccc(O[C@H](C)C2CC2)n1 585652783 757252275 /nfs/dbraw/zinc/25/22/75/757252275.db2.gz WKBDPPOFYSBSTR-SSDOTTSWSA-N 0 0 178.235 1.962 10 0 ADAERN c1cnc(OC[C@H]2CCCO2)nc1 585654908 757252390 /nfs/dbraw/zinc/25/23/90/757252390.db2.gz VVRYKZXARRCZSA-MRVPVSSYSA-N 0 0 180.207 1.034 10 0 ADAERN C[C@@H](Oc1ncccn1)C1CC1 585654552 757252429 /nfs/dbraw/zinc/25/24/29/757252429.db2.gz RXGYLCDGORVMIV-SSDOTTSWSA-N 0 0 164.208 1.654 10 0 ADAERN CCO[C@@]1(C(C)=O)CCOC1(C)C 687776250 572035002 /nfs/dbraw/zinc/03/50/02/572035002.db2.gz CPSCAPBXMTZCTJ-SNVBAGLBSA-N 0 0 186.251 1.550 10 0 ADAERN CC[C@H](C(=O)OC)c1ccncc1 82505960 572035006 /nfs/dbraw/zinc/03/50/06/572035006.db2.gz QTOQQGYWULNQOM-VIFPVBQESA-N 0 0 179.219 1.748 10 0 ADAERN CC[N@H+](C[C@@H](C)C(=O)[O-])C(C)C 35759591 572035012 /nfs/dbraw/zinc/03/50/12/572035012.db2.gz UHNUJJVYRRHLGJ-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN c1cnc(OCC2CCOCC2)cn1 585655247 757252733 /nfs/dbraw/zinc/25/27/33/757252733.db2.gz YVXPELHDEFPWBF-UHFFFAOYSA-N 0 0 194.234 1.282 10 0 ADAERN Cc1nccc(O[C@@H](C)C2CC2)n1 585652784 757253032 /nfs/dbraw/zinc/25/30/32/757253032.db2.gz WKBDPPOFYSBSTR-ZETCQYMHSA-N 0 0 178.235 1.962 10 0 ADAERN Cc1cncc(OC[C@@H]2CCCO2)n1 585652350 757253137 /nfs/dbraw/zinc/25/31/37/757253137.db2.gz XWDLCXAQEKJHCA-VIFPVBQESA-N 0 0 194.234 1.343 10 0 ADAERN Cc1ccnc(O[C@H](C)C2CC2)n1 585652061 757253168 /nfs/dbraw/zinc/25/31/68/757253168.db2.gz VBFNKSMYSSZLPQ-MRVPVSSYSA-N 0 0 178.235 1.962 10 0 ADAERN Fc1cccnc1OC1CCOCC1 585655208 757253193 /nfs/dbraw/zinc/25/31/93/757253193.db2.gz WUVJLZGJCGYMNK-UHFFFAOYSA-N 0 0 197.209 1.779 10 0 ADAERN Cc1ccc(OC[C@H]2CCCO2)nn1 585652085 757253228 /nfs/dbraw/zinc/25/32/28/757253228.db2.gz VUNLWJDAPIWQNN-SECBINFHSA-N 0 0 194.234 1.343 10 0 ADAERN c1cnc(O[C@@H]2CCSC2)nc1 585653927 757253376 /nfs/dbraw/zinc/25/33/76/757253376.db2.gz MYGBRDGHFWSJHU-SSDOTTSWSA-N 0 0 182.248 1.361 10 0 ADAERN Cc1cncc(OCC2CC2)n1 585651658 757253403 /nfs/dbraw/zinc/25/34/03/757253403.db2.gz OXIYOXXBWUWCHG-UHFFFAOYSA-N 0 0 164.208 1.574 10 0 ADAERN CC[N@H+](C[C@@H](C)C(=O)[O-])C1CCCC1 35766613 572035056 /nfs/dbraw/zinc/03/50/56/572035056.db2.gz JYJALGRWKVLJMW-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Fc1ccc(OC[C@H]2CCCO2)nc1 585653220 757253763 /nfs/dbraw/zinc/25/37/63/757253763.db2.gz CKKOLCRPLMDBCA-SECBINFHSA-N 0 0 197.209 1.779 10 0 ADAERN c1cnc(OCC2CCOCC2)nc1 585654247 757253988 /nfs/dbraw/zinc/25/39/88/757253988.db2.gz POCUXQFCDVXUHY-UHFFFAOYSA-N 0 0 194.234 1.282 10 0 ADAERN c1cn2nccc2c(OC2CCC2)n1 585652646 757254051 /nfs/dbraw/zinc/25/40/51/757254051.db2.gz QWOLMBWEHIRLCF-UHFFFAOYSA-N 0 0 189.218 1.661 10 0 ADAERN CC(C)c1cnc(C(N)=S)cn1 33754039 572035082 /nfs/dbraw/zinc/03/50/82/572035082.db2.gz FTUGFESXYXQJFT-UHFFFAOYSA-N 0 0 181.264 1.234 10 0 ADAERN c1c(OCC2CC2)nnc2c1CCC2 585652395 757254116 /nfs/dbraw/zinc/25/41/16/757254116.db2.gz MLCCKWIQEHIWNV-UHFFFAOYSA-N 0 0 190.246 1.754 10 0 ADAERN Cc1csc(O[C@@H]2CCOC2)n1 585652098 757254206 /nfs/dbraw/zinc/25/42/06/757254206.db2.gz KRAJNLVAIKMBAX-SSDOTTSWSA-N 0 0 185.248 1.619 10 0 ADAERN CCC[C@H](O)[C@H](O)C(F)(F)F 687776167 572035099 /nfs/dbraw/zinc/03/50/99/572035099.db2.gz VCIZZYXMKZTWBY-WHFBIAKZSA-N 0 0 172.146 1.071 10 0 ADAERN CCO[C@]1(C(C)=O)CCO[C@H](C)C1 687776244 572035103 /nfs/dbraw/zinc/03/51/03/572035103.db2.gz AYWDZNKBYPXBFX-PSASIEDQSA-N 0 0 186.251 1.550 10 0 ADAERN Cc1cc(C)nc(O[C@@H]2CCOC2)n1 585652302 757254473 /nfs/dbraw/zinc/25/44/73/757254473.db2.gz WZZAULMBFMPLKZ-SECBINFHSA-N 0 0 194.234 1.261 10 0 ADAERN Cc1ccc(O[C@H](C)C2CC2)nn1 585651458 757254513 /nfs/dbraw/zinc/25/45/13/757254513.db2.gz NLSLGJPNUXADOQ-MRVPVSSYSA-N 0 0 178.235 1.962 10 0 ADAERN c1csc(O[C@H]2CCOC2)n1 585652409 757254610 /nfs/dbraw/zinc/25/46/10/757254610.db2.gz ZJGQNXSRHLFYTQ-LURJTMIESA-N 0 0 171.221 1.311 10 0 ADAERN c1ccc(OCC2CCOCC2)nc1 585654206 757254707 /nfs/dbraw/zinc/25/47/07/757254707.db2.gz FFQSHIFSYVYOKZ-UHFFFAOYSA-N 0 0 193.246 1.887 10 0 ADAERN C[C@H](Oc1cnccn1)C1CC1 585654569 757254764 /nfs/dbraw/zinc/25/47/64/757254764.db2.gz IYHKXOOYPNIWKZ-ZETCQYMHSA-N 0 0 164.208 1.654 10 0 ADAERN Cc1cncc(O[C@H]2CCSC2)n1 585651473 757254802 /nfs/dbraw/zinc/25/48/02/757254802.db2.gz NWXZWQYJMVAUGD-QMMMGPOBSA-N 0 0 196.275 1.669 10 0 ADAERN c1cnc(OC[C@@H]2CCCCO2)nc1 585654227 757254880 /nfs/dbraw/zinc/25/48/80/757254880.db2.gz PGBKCIDBNZZABY-VIFPVBQESA-N 0 0 194.234 1.425 10 0 ADAERN CCc1ccc([C@@H](O)C(C)=O)cc1 34115679 572058430 /nfs/dbraw/zinc/05/84/30/572058430.db2.gz FTASTXBTRPOGFC-NSHDSACASA-N 0 0 178.231 1.871 10 0 ADAERN Cn1ccc(Cl)c1 34122736 572058432 /nfs/dbraw/zinc/05/84/32/572058432.db2.gz KULDRSLKBICMPF-UHFFFAOYSA-N 0 0 115.563 1.679 10 0 ADAERN CC[C@H](CC(N)=S)n1ccnc1 36678425 572058434 /nfs/dbraw/zinc/05/84/34/572058434.db2.gz FTIZVOOWEQFPKO-SSDOTTSWSA-N 0 0 183.280 1.510 10 0 ADAERN c1csc(O[C@@H]2CCOC2)n1 585652410 757255470 /nfs/dbraw/zinc/25/54/70/757255470.db2.gz ZJGQNXSRHLFYTQ-ZCFIWIBFSA-N 0 0 171.221 1.311 10 0 ADAERN CSCC[C@@H](CCO)C(C)=O 235041737 572039420 /nfs/dbraw/zinc/03/94/20/572039420.db2.gz OOMCEENRFRSVPZ-MRVPVSSYSA-N 0 0 176.281 1.327 10 0 ADAERN Fc1ccc(OC2CCOCC2)nc1 585654281 757256001 /nfs/dbraw/zinc/25/60/01/757256001.db2.gz QBIGTXZVOCNMHY-UHFFFAOYSA-N 0 0 197.209 1.779 10 0 ADAERN Cc1ccc(O[C@@H]2CCSC2)nn1 585651793 757256245 /nfs/dbraw/zinc/25/62/45/757256245.db2.gz QMXACVXXHWKYQB-MRVPVSSYSA-N 0 0 196.275 1.669 10 0 ADAERN Cc1ccnc(O[C@@H](C)C2CC2)n1 585652062 757256380 /nfs/dbraw/zinc/25/63/80/757256380.db2.gz VBFNKSMYSSZLPQ-QMMMGPOBSA-N 0 0 178.235 1.962 10 0 ADAERN C[C@H]1CCCc2c1[nH]c(=S)[nH]c2=O 33846858 572039448 /nfs/dbraw/zinc/03/94/48/572039448.db2.gz DGWMNBFEJUEUFA-YFKPBYRVSA-N 0 0 196.275 1.872 10 0 ADAERN c1cnc(O[C@H]2CCSC2)cn1 585654123 757256506 /nfs/dbraw/zinc/25/65/06/757256506.db2.gz DBFGTSQYFXHHEH-ZETCQYMHSA-N 0 0 182.248 1.361 10 0 ADAERN COC(=O)CNCCCC(C)(C)C 300902463 572039453 /nfs/dbraw/zinc/03/94/53/572039453.db2.gz WLQHBKHDOUPOTF-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN c1cnc(OC2CCOCC2)nc1 585653522 757256681 /nfs/dbraw/zinc/25/66/81/757256681.db2.gz IDJJHMVNILCGQH-UHFFFAOYSA-N 0 0 180.207 1.034 10 0 ADAERN Cc1nc(O[C@H]2CCOC2)sc1C 585651908 757256754 /nfs/dbraw/zinc/25/67/54/757256754.db2.gz IUBQIDSFPRUKQH-QMMMGPOBSA-N 0 0 199.275 1.928 10 0 ADAERN c1csc(OC2CCOCC2)n1 585652006 757257181 /nfs/dbraw/zinc/25/71/81/757257181.db2.gz ULRLLEBYVCGJRD-UHFFFAOYSA-N 0 0 185.248 1.701 10 0 ADAERN C[C@H]1CCCc2[nH]c(=S)[nH]c(=O)c21 33842924 572039480 /nfs/dbraw/zinc/03/94/80/572039480.db2.gz FOQQIGLNKMMUIF-YFKPBYRVSA-N 0 0 196.275 1.872 10 0 ADAERN COc1cc(=O)oc(C)c1[C@@H](C)O 15205111 572039816 /nfs/dbraw/zinc/03/98/16/572039816.db2.gz NKACRNZUVSMENA-RXMQYKEDSA-N 0 0 184.191 1.010 10 0 ADAERN CC[C@@H]1COC(c2ccccc2O)=N1 33846696 572039819 /nfs/dbraw/zinc/03/98/19/572039819.db2.gz YGGWHGDCALIDPJ-MRVPVSSYSA-N 0 0 191.230 1.948 10 0 ADAERN CCc1cccc(=O)c(O)c1 33851395 572039830 /nfs/dbraw/zinc/03/98/30/572039830.db2.gz FEOPDZDAOISPAD-UHFFFAOYSA-N 0 0 150.177 1.315 10 0 ADAERN CS/C=C/C[C@@H](C)O 33842682 572039835 /nfs/dbraw/zinc/03/98/35/572039835.db2.gz IIITWVBSNBEZHT-MXTDHUQFSA-N 0 0 132.228 1.634 10 0 ADAERN CCC(CC)N(C)C(=O)c1cn[nH]c1 36164354 572039849 /nfs/dbraw/zinc/03/98/49/572039849.db2.gz CQFDYGGOMWPJJI-UHFFFAOYSA-N 0 0 195.266 1.670 10 0 ADAERN S=c1[nH]ncc2ncccc12 33846009 572039899 /nfs/dbraw/zinc/03/98/99/572039899.db2.gz JCVHMHTULFSRSX-UHFFFAOYSA-N 0 0 163.205 1.314 10 0 ADAERN CSC[C@@H](NN)C1=CCCCC1 235049760 572039900 /nfs/dbraw/zinc/03/99/00/572039900.db2.gz YLRZFBJWQHNKHE-SECBINFHSA-N 0 0 186.324 1.682 10 0 ADAERN CS/C=C/C[C@H](C)O 33842681 572039904 /nfs/dbraw/zinc/03/99/04/572039904.db2.gz IIITWVBSNBEZHT-QVQDZQDPSA-N 0 0 132.228 1.634 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1C[C@H]1CO 33853678 572039907 /nfs/dbraw/zinc/03/99/07/572039907.db2.gz BMQUNCVYHJMXJR-NKWVEPMBSA-N 0 0 156.225 1.230 10 0 ADAERN CCN(CC)c1nc(C=O)c[nH]1 69906768 572156686 /nfs/dbraw/zinc/15/66/86/572156686.db2.gz PGIIIIJUXVPVEU-UHFFFAOYSA-N 0 0 167.212 1.068 10 0 ADAERN CCCCCN(C)C(=O)c1cn[nH]c1 36163843 572041164 /nfs/dbraw/zinc/04/11/64/572041164.db2.gz XTTFAJCBNWHEII-UHFFFAOYSA-N 0 0 195.266 1.672 10 0 ADAERN CC[C@@H]1CCC[N@@H+]([C@@H](C)CC(=O)[O-])C1 36169976 572041170 /nfs/dbraw/zinc/04/11/70/572041170.db2.gz RDHJUVTVDVWMOD-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN Cn1ccnc1C=Nn1cccc1 379383712 572047684 /nfs/dbraw/zinc/04/76/84/572047684.db2.gz LGUQYQBCOSOIEU-UHFFFAOYSA-N 0 0 174.207 1.104 10 0 ADAERN CCCCc1noc(CNC2CC2)n1 82551689 572048427 /nfs/dbraw/zinc/04/84/27/572048427.db2.gz XDGHQSFNLBYNHN-UHFFFAOYSA-N 0 0 195.266 1.664 10 0 ADAERN CCOc1c(C)occc1=O 33975177 572048450 /nfs/dbraw/zinc/04/84/50/572048450.db2.gz XKGZTJGVEGDXJR-UHFFFAOYSA-N 0 0 154.165 1.347 10 0 ADAERN Cc1ncccc1Cc1c[nH]cn1 33966117 572048458 /nfs/dbraw/zinc/04/84/58/572048458.db2.gz OFPFPNHWXIMKGG-UHFFFAOYSA-N 0 0 173.219 1.704 10 0 ADAERN COC[C@H](C)[C@H](O)Cc1cccnc1 69904708 572156689 /nfs/dbraw/zinc/15/66/89/572156689.db2.gz JTWPRAGPADQTNE-GXSJLCMTSA-N 0 0 195.262 1.268 10 0 ADAERN Cc1nn(C(C)(C)C)c(N)c1N 33961482 572048485 /nfs/dbraw/zinc/04/84/85/572048485.db2.gz CTGVWWNOCSCKKI-UHFFFAOYSA-N 0 0 168.244 1.111 10 0 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ADAERN COc1cccnc1[C@H](NN)C1CC1 235071782 572051410 /nfs/dbraw/zinc/05/14/10/572051410.db2.gz FPCNBQQZOHRMQW-SECBINFHSA-N 0 0 193.250 1.005 10 0 ADAERN CC(C)c1[nH]cnc1C=O 34087378 572053136 /nfs/dbraw/zinc/05/31/36/572053136.db2.gz FFPLYCATAHPAPD-UHFFFAOYSA-N 0 0 138.170 1.346 10 0 ADAERN COc1ccc2c(c1)S(=O)(=O)CC2 34078893 572053142 /nfs/dbraw/zinc/05/31/42/572053142.db2.gz GVWKAOOVJNWWJT-UHFFFAOYSA-N 0 0 198.243 1.025 10 0 ADAERN C[C@H]1Cc2cccc(NN)c2O1 34083042 572053151 /nfs/dbraw/zinc/05/31/51/572053151.db2.gz YJMQZKBMYUUINE-LURJTMIESA-N 0 0 164.208 1.296 10 0 ADAERN C[C@H]1[C@H](C(N)=O)C12CCCCC2 34075731 572053159 /nfs/dbraw/zinc/05/31/59/572053159.db2.gz GFUFSOWMQLQOBU-JGVFFNPUSA-N 0 0 167.252 1.688 10 0 ADAERN COC(=O)[C@@H]1Nc2ccccc2[C@@H]1C 34102138 572054788 /nfs/dbraw/zinc/05/47/88/572054788.db2.gz SEOXMJMKBPNEDK-OIBJUYFYSA-N 0 0 191.230 1.757 10 0 ADAERN CC1=C(C)C[C@@H]2C(O)=CC(=O)[C@H]2C1 34100035 572054793 /nfs/dbraw/zinc/05/47/93/572054793.db2.gz 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572058414 /nfs/dbraw/zinc/05/84/14/572058414.db2.gz QPMRLWIBJFSEJU-SFYZADRCSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1nnc(CN[C@H]2CC2(C)C)s1 642859250 757268540 /nfs/dbraw/zinc/26/85/40/757268540.db2.gz DUIGSRFAXVBVGW-ZETCQYMHSA-N 0 0 197.307 1.735 10 0 ADAERN CC1(c2nc(C3(N)CC3)no2)CC1 642876615 757282244 /nfs/dbraw/zinc/28/22/44/757282244.db2.gz ZRJHDKUWPDPEQY-UHFFFAOYSA-N 0 0 179.223 1.069 10 0 ADAERN Cln1cccc1 34310854 572071786 /nfs/dbraw/zinc/07/17/86/572071786.db2.gz SGRCTYPVIFKPCK-UHFFFAOYSA-N 0 0 101.536 1.490 10 0 ADAERN CC(C)Cc1nc(C2(N)CC2)no1 642844644 757268960 /nfs/dbraw/zinc/26/89/60/757268960.db2.gz GFQBVUIYZJNFNL-UHFFFAOYSA-N 0 0 181.239 1.216 10 0 ADAERN O=C1NCC(=S)Nc2ccccc21 34143801 572058823 /nfs/dbraw/zinc/05/88/23/572058823.db2.gz KAWOCVTYBXCBJU-UHFFFAOYSA-N 0 0 192.243 1.169 10 0 ADAERN CCc1cc(NC(C)=O)ccc1O 34157222 572058836 /nfs/dbraw/zinc/05/88/36/572058836.db2.gz NGQMJWVJTNISAA-UHFFFAOYSA-N 0 0 179.219 1.913 10 0 ADAERN O=C1CC2(CC2)[C@@H]2C=C[C@H]1C2 34172910 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CC[C@@H](O)Cc1ccn(C(C)C)n1 82866713 572161738 /nfs/dbraw/zinc/16/17/38/572161738.db2.gz ZZSUTSJYDKMZRH-SNVBAGLBSA-N 0 0 182.267 1.777 10 0 ADAERN C/C=C\C(=O)NC[C@@H]1CCC(C)(C)O1 691915810 757361520 /nfs/dbraw/zinc/36/15/20/757361520.db2.gz JLYMVKGYJKAONA-WBSSQXGSSA-N 0 0 197.278 1.636 10 0 ADAERN CCCCCCn1nc(C)n(C)c1=O 691726048 757361985 /nfs/dbraw/zinc/36/19/85/757361985.db2.gz UKEJZYXEXQOPLO-UHFFFAOYSA-N 0 0 197.282 1.471 10 0 ADAERN CC(C)N(CCO)C(=O)C1CC=CC1 82866049 572161779 /nfs/dbraw/zinc/16/17/79/572161779.db2.gz WYNPFVBYMQOURN-UHFFFAOYSA-N 0 0 197.278 1.182 10 0 ADAERN CCOc1nc(C)ccc1C(N)=S 43398576 572161781 /nfs/dbraw/zinc/16/17/81/572161781.db2.gz XDHKAHRNOCBLFC-UHFFFAOYSA-N 0 0 196.275 1.423 10 0 ADAERN CC[C@@H]1OCC[C@@H]1[C@H](NN)C1CC1 300392150 572161782 /nfs/dbraw/zinc/16/17/82/572161782.db2.gz YPEFWRJZYKLRGR-LPEHRKFASA-N 0 0 184.283 1.043 10 0 ADAERN CCc1ccc(OC)c(C(=O)CN)c1 71506330 572161789 /nfs/dbraw/zinc/16/17/89/572161789.db2.gz QZEMQXZYAHLXRP-UHFFFAOYSA-N 0 0 193.246 1.399 10 0 ADAERN CCn1ccn(C2CC2)c1=O 18572274 572161799 /nfs/dbraw/zinc/16/17/99/572161799.db2.gz VOXNTMHZWFFLKK-UHFFFAOYSA-N 0 0 152.197 1.005 10 0 ADAERN CC[C@@H]1C[C@@H]1NCc1ncccn1 300392284 572161802 /nfs/dbraw/zinc/16/18/02/572161802.db2.gz WPCUQFUNXQKRGI-BDAKNGLRSA-N 0 0 177.251 1.365 10 0 ADAERN Cc1nc(-c2ccccn2)ncc1C=O 71507810 572162778 /nfs/dbraw/zinc/16/27/78/572162778.db2.gz NIMIPMDNPWDANT-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN COC(=O)C(=C(C)O)c1cccs1 71507702 572162781 /nfs/dbraw/zinc/16/27/81/572162781.db2.gz PHSAQZOBEFUNRF-QMMMGPOBSA-N 0 0 198.243 1.594 10 0 ADAERN C/C=C\C(=O)NC[C@H]1CCC(C)(C)O1 691915814 757364009 /nfs/dbraw/zinc/36/40/09/757364009.db2.gz JLYMVKGYJKAONA-XRVBUDJMSA-N 0 0 197.278 1.636 10 0 ADAERN CC[C@](C)(NC(=O)OC)C1CC1 691503800 757364029 /nfs/dbraw/zinc/36/40/29/757364029.db2.gz JLZZEAMWKBBLKD-VIFPVBQESA-N 0 0 171.240 1.921 10 0 ADAERN COC(=O)NC(C)(C1CC1)C1CC1 691792012 757364168 /nfs/dbraw/zinc/36/41/68/757364168.db2.gz ODSBIOLFNHAHOE-UHFFFAOYSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CCC[C@@H]2O[C@@H]2C1=O 18650406 572162842 /nfs/dbraw/zinc/16/28/42/572162842.db2.gz IQPVVXODBKLKMR-CHKWXVPMSA-N 0 0 140.182 1.143 10 0 ADAERN CCc1[nH+]cn(C2CC2)c1N 18589242 572162851 /nfs/dbraw/zinc/16/28/51/572162851.db2.gz IZZBZZVLHLYHMA-UHFFFAOYSA-N 0 0 151.213 1.363 10 0 ADAERN CCCCC(=O)N(CCO)C(C)C 37505145 572162858 /nfs/dbraw/zinc/16/28/58/572162858.db2.gz BACWBPCOWZMMQL-UHFFFAOYSA-N 0 0 187.283 1.406 10 0 ADAERN CCCc1nccn1C[C@@H](O)C1CC1 69964398 572162874 /nfs/dbraw/zinc/16/28/74/572162874.db2.gz NRFFKSSQNUSLEK-SNVBAGLBSA-N 0 0 194.278 1.607 10 0 ADAERN CCCc1nccn1[C@@H](C)C(C)=O 69964253 572162881 /nfs/dbraw/zinc/16/28/81/572162881.db2.gz SFKIEPFKTWKHGJ-QMMMGPOBSA-N 0 0 180.251 1.986 10 0 ADAERN COCC1(CNc2nccs2)CC1 691813536 757366193 /nfs/dbraw/zinc/36/61/93/757366193.db2.gz ZNTIQXHVOAZGGL-UHFFFAOYSA-N 0 0 198.291 1.982 10 0 ADAERN CC[C@@](C)(NC(=O)OC)C1CC1 691503799 757366246 /nfs/dbraw/zinc/36/62/46/757366246.db2.gz JLZZEAMWKBBLKD-SECBINFHSA-N 0 0 171.240 1.921 10 0 ADAERN Cc1nn(CCCC2CC2)c(=O)n1C 691767874 757366719 /nfs/dbraw/zinc/36/67/19/757366719.db2.gz PEGKREWDQZUAKI-UHFFFAOYSA-N 0 0 195.266 1.080 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](C)[C@@H]1C 82860497 572156770 /nfs/dbraw/zinc/15/67/70/572156770.db2.gz ZOTBJUBWUMKVSQ-YWVKMMECSA-N 0 0 199.294 1.875 10 0 ADAERN C/C=C/C(=O)NC[C@H]1CCC(C)(C)O1 691915812 757367646 /nfs/dbraw/zinc/36/76/46/757367646.db2.gz JLYMVKGYJKAONA-XNPJLODASA-N 0 0 197.278 1.636 10 0 ADAERN c1nnc(NC2CC2)nc1NC1CC1 242442161 572164074 /nfs/dbraw/zinc/16/40/74/572164074.db2.gz BMVCSDLDBBFLIJ-UHFFFAOYSA-N 0 0 191.238 1.020 10 0 ADAERN Cc1c(C=O)cnn1C1CC1 18589753 572164077 /nfs/dbraw/zinc/16/40/77/572164077.db2.gz SQPFVZVGLSGCAC-UHFFFAOYSA-N 0 0 150.181 1.339 10 0 ADAERN C[C@@H]1CCC[C@H]2O[C@@H]2C1=O 18650408 572164090 /nfs/dbraw/zinc/16/40/90/572164090.db2.gz IQPVVXODBKLKMR-JKMUOGBPSA-N 0 0 140.182 1.143 10 0 ADAERN O[C@H]1C=Cc2cocc2C1 18561134 572164105 /nfs/dbraw/zinc/16/41/05/572164105.db2.gz LWSMICHILFIXPL-QMMMGPOBSA-N 0 0 136.150 1.210 10 0 ADAERN CCCc1nccn1[C@@H](C)C(=O)OC 69963462 572164119 /nfs/dbraw/zinc/16/41/19/572164119.db2.gz VDRSJQBKFNASKZ-QMMMGPOBSA-N 0 0 196.250 1.570 10 0 ADAERN CCCc1nccn1Cc1ncon1 69964029 572164125 /nfs/dbraw/zinc/16/41/25/572164125.db2.gz DUUHQTSJVPBWNF-UHFFFAOYSA-N 0 0 192.222 1.267 10 0 ADAERN CC(C)C[C@@H](O)Cc1cccnc1N 69943916 572164141 /nfs/dbraw/zinc/16/41/41/572164141.db2.gz AWJQVISXHWFUSX-SNVBAGLBSA-N 0 0 194.278 1.613 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+]Cc1cncn1CC 300392863 572164152 /nfs/dbraw/zinc/16/41/52/572164152.db2.gz XDRPCSYKUMRJQB-KOLCDFICSA-N 0 0 193.294 1.791 10 0 ADAERN CCOCC[C@H](O)c1ccoc1 69946237 572164167 /nfs/dbraw/zinc/16/41/67/572164167.db2.gz GADXNFXYXVJGGI-VIFPVBQESA-N 0 0 170.208 1.740 10 0 ADAERN CCCc1nccn1[C@@H](CC)C(N)=O 69964039 572164174 /nfs/dbraw/zinc/16/41/74/572164174.db2.gz BYUOUTDANBKIFF-QMMMGPOBSA-N 0 0 195.266 1.272 10 0 ADAERN CCCc1nccn1[C@@H](C)C(=O)NC 69963917 572164203 /nfs/dbraw/zinc/16/42/03/572164203.db2.gz XOXUSPBJJIVPMM-QMMMGPOBSA-N 0 0 195.266 1.143 10 0 ADAERN CCCc1nccn1CCC(N)=S 69964076 572164213 /nfs/dbraw/zinc/16/42/13/572164213.db2.gz POBNZVBBPCYSHP-UHFFFAOYSA-N 0 0 197.307 1.512 10 0 ADAERN COC1(C(=O)N2CC=CC2)CCCC1 691983735 757370606 /nfs/dbraw/zinc/37/06/06/757370606.db2.gz AUKHPLYBTTYFAP-UHFFFAOYSA-N 0 0 195.262 1.344 10 0 ADAERN CC[C@@H](C)[C@@H](O)Cc1cccnc1N 69943897 572164218 /nfs/dbraw/zinc/16/42/18/572164218.db2.gz UANIEYWXNLTXJB-SCZZXKLOSA-N 0 0 194.278 1.613 10 0 ADAERN C[C@H]1CNc2nocc2C1 18557621 572164225 /nfs/dbraw/zinc/16/42/25/572164225.db2.gz UGRVFWGXWBRDDZ-RXMQYKEDSA-N 0 0 138.170 1.279 10 0 ADAERN CON(C)CCOc1cccc(N)c1 37506557 572164255 /nfs/dbraw/zinc/16/42/55/572164255.db2.gz OQXJWEKVQRTAKB-UHFFFAOYSA-N 0 0 196.250 1.141 10 0 ADAERN CCCc1nccn1[C@H](C)[C@H](C)O 69964413 572164270 /nfs/dbraw/zinc/16/42/70/572164270.db2.gz LGTFCLYFLIULJN-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN CC1=CC[C@@H]2[C@@H](C)C(=O)[C@@H]12 18643632 572164272 /nfs/dbraw/zinc/16/42/72/572164272.db2.gz IAYIXTHRFRCEAP-PRJMDXOYSA-N 0 0 136.194 1.788 10 0 ADAERN CCOC[C@H](C)Nc1nncs1 69966492 572164291 /nfs/dbraw/zinc/16/42/91/572164291.db2.gz NKKBNIXMIOODJZ-LURJTMIESA-N 0 0 187.268 1.375 10 0 ADAERN O[C@@H]1CCC[C@H]2CC[C@@H]1C2 18773557 572165387 /nfs/dbraw/zinc/16/53/87/572165387.db2.gz DVAOUVAMFFRHAQ-DJLDLDEBSA-N 0 0 140.226 1.948 10 0 ADAERN CC[C@@](C)(CC(=O)[O-])[NH+](C)C 18673687 572166282 /nfs/dbraw/zinc/16/62/82/572166282.db2.gz BZTAIGUHRGZZLN-QMMMGPOBSA-N 0 0 159.229 1.191 10 0 ADAERN CCC(CC)C1=NO[C@H](C[NH3+])C1 69978469 572166302 /nfs/dbraw/zinc/16/63/02/572166302.db2.gz IIBPTFMTDNHQRB-QMMMGPOBSA-N 0 0 170.256 1.526 10 0 ADAERN O[C@H]1CCC[C@H]2CC[C@@H]1O2 18774021 572166320 /nfs/dbraw/zinc/16/63/20/572166320.db2.gz HMSCIMQRGYLFPW-FXQIFTODSA-N 0 0 142.198 1.079 10 0 ADAERN CCN(C(C)C)[S@](=O)CC 687788490 572166348 /nfs/dbraw/zinc/16/63/48/572166348.db2.gz DMXIWNWWFJYZPZ-SNVBAGLBSA-N 0 0 163.286 1.400 10 0 ADAERN CCC[C@H](C)C[C@H]1CCC(=O)NC1=O 69974939 572166350 /nfs/dbraw/zinc/16/63/50/572166350.db2.gz NLNVCSIZXPQNKO-DTWKUNHWSA-N 0 0 197.278 1.866 10 0 ADAERN CCCCCC1=NO[C@H](C[NH3+])C1 69978422 572166357 /nfs/dbraw/zinc/16/63/57/572166357.db2.gz KHFDYYHWOPALOL-VIFPVBQESA-N 0 0 170.256 1.670 10 0 ADAERN CCC[C@@H](O)CCc1cnnn1CC 300959756 572166377 /nfs/dbraw/zinc/16/63/77/572166377.db2.gz YHOZMNFCZMDYMH-SNVBAGLBSA-N 0 0 197.282 1.392 10 0 ADAERN CCCC[C@H](C)N1C[C@H](O)CC1=O 69972725 572166382 /nfs/dbraw/zinc/16/63/82/572166382.db2.gz PQVXASZNFOZEPJ-DTWKUNHWSA-N 0 0 185.267 1.158 10 0 ADAERN Nc1nc([C@H]2C[C@H]3CC[C@@H]2O3)ns1 69975284 572166394 /nfs/dbraw/zinc/16/63/94/572166394.db2.gz QXLUBXFIRYWPGO-SRQIZXRXSA-N 0 0 197.263 1.155 10 0 ADAERN CCCCC[C@@H](C)N1C[C@@H](O)CC1=O 69974626 572166423 /nfs/dbraw/zinc/16/64/23/572166423.db2.gz ZOKACWWSYRLAJR-ZJUUUORDSA-N 0 0 199.294 1.548 10 0 ADAERN CCCOC(=O)[C@@H](OC)C1CCC1 692754935 757377145 /nfs/dbraw/zinc/37/71/45/757377145.db2.gz YUYYIUIOCDTRGR-VIFPVBQESA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@@H](C)N(C)[S@@](=O)CC 687788603 572166430 /nfs/dbraw/zinc/16/64/30/572166430.db2.gz ILEJPLRXIZOZSV-XCBNKYQSSA-N 0 0 163.286 1.400 10 0 ADAERN COC(=O)NC[C@H](C)c1ccccn1 692748664 757377550 /nfs/dbraw/zinc/37/75/50/757377550.db2.gz MICUPMIFNZPMNT-QMMMGPOBSA-N 0 0 194.234 1.541 10 0 ADAERN C[C@H]1O[C@H]1C(=O)CC(C)(C)C 18671524 572166446 /nfs/dbraw/zinc/16/64/46/572166446.db2.gz XPXKLIMQGMXQQR-HTRCEHHLSA-N 0 0 156.225 1.779 10 0 ADAERN CONC(=O)[C@@H](C)C1CCC1 692790821 757378043 /nfs/dbraw/zinc/37/80/43/757378043.db2.gz FQMSJZVIJWTAKO-LURJTMIESA-N 0 0 157.213 1.100 10 0 ADAERN O[C@H](c1ccccc1)[C@H]1CCOC1 48628897 572678079 /nfs/dbraw/zinc/67/80/79/572678079.db2.gz IMSBEGCTLFLRRY-WDEREUQCSA-N 0 0 178.231 1.757 10 0 ADAERN c1ncc(NC2CC2)cn1 18859082 572173782 /nfs/dbraw/zinc/17/37/82/572173782.db2.gz AKSWHMOABYAXFP-UHFFFAOYSA-N 0 0 135.170 1.051 10 0 ADAERN CCNCc1nnc(OCC)s1 87698821 572678084 /nfs/dbraw/zinc/67/80/84/572678084.db2.gz HUKWQOQQXNHZDH-UHFFFAOYSA-N 0 0 187.268 1.046 10 0 ADAERN CONC(=O)[C@H](C)C1CCC1 692790822 757379345 /nfs/dbraw/zinc/37/93/45/757379345.db2.gz FQMSJZVIJWTAKO-ZCFIWIBFSA-N 0 0 157.213 1.100 10 0 ADAERN CCCOC(=O)[C@H](OC)C1CCC1 692754933 757379429 /nfs/dbraw/zinc/37/94/29/757379429.db2.gz YUYYIUIOCDTRGR-SECBINFHSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)COc1nnc(CO)s1 87696111 572678934 /nfs/dbraw/zinc/67/89/34/572678934.db2.gz KPGOVNCCSOQUIM-UHFFFAOYSA-N 0 0 188.252 1.065 10 0 ADAERN COC(=O)NC[C@@H](C)c1ccccn1 692748662 757379666 /nfs/dbraw/zinc/37/96/66/757379666.db2.gz MICUPMIFNZPMNT-MRVPVSSYSA-N 0 0 194.234 1.541 10 0 ADAERN C[C@H]1CC[C@@H]([NH2+]CCC(=O)[O-])[C@@H]1C 83042877 572187251 /nfs/dbraw/zinc/18/72/51/572187251.db2.gz FDNQJWGNTKSUOJ-DJLDLDEBSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1CC[C@@H](NC(N)=S)[C@@H]1C 83042360 572187253 /nfs/dbraw/zinc/18/72/53/572187253.db2.gz ASUVDNYUNUKZBR-RRKCRQDMSA-N 0 0 172.297 1.254 10 0 ADAERN CCC[C@](C)(O)CCOCC 687790837 572187259 /nfs/dbraw/zinc/18/72/59/572187259.db2.gz VFXCCTBVAWQGHJ-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](C(=O)[O-])C1 693022609 757381745 /nfs/dbraw/zinc/38/17/45/757381745.db2.gz APTRMHDFMMMZMR-JXUBOQSCSA-N 0 0 199.294 1.874 10 0 ADAERN CCn1nccc1[C@@](O)(CC)C1CC1 83058425 572192424 /nfs/dbraw/zinc/19/24/24/572192424.db2.gz LJNGAHUMWXOSBP-LLVKDONJSA-N 0 0 194.278 1.911 10 0 ADAERN C/C=C/C(=O)NC[C@@H]1CCOC1(C)C 693140469 757382053 /nfs/dbraw/zinc/38/20/53/757382053.db2.gz ABRIQMKPMKJLDQ-MOVJSRMASA-N 0 0 197.278 1.494 10 0 ADAERN CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C(=O)[O-])C1 693022610 757382065 /nfs/dbraw/zinc/38/20/65/757382065.db2.gz APTRMHDFMMMZMR-UTINFBMNSA-N 0 0 199.294 1.874 10 0 ADAERN CC(=O)N1CCC[C@@H]2[C@H](O)C(C)(C)[C@@H]21 693071571 757382126 /nfs/dbraw/zinc/38/21/26/757382126.db2.gz AYRCCYCEMVQOFT-AEJSXWLSSA-N 0 0 197.278 1.014 10 0 ADAERN CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C(=O)[O-])C1 693022613 757383226 /nfs/dbraw/zinc/38/32/26/757383226.db2.gz APTRMHDFMMMZMR-XKNYDFJKSA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)c1cc(N)c[nH]1 234084898 572192481 /nfs/dbraw/zinc/19/24/81/572192481.db2.gz ZJUBITBONVNDKI-XPUUQOCRSA-N 0 0 193.250 1.125 10 0 ADAERN O=C([O-])[C@H]1C[C@H]([NH2+]C2CCCC2)C1 693022942 757383712 /nfs/dbraw/zinc/38/37/12/757383712.db2.gz ZEDAZIKKIICEOF-XWEPSHTISA-N 0 0 183.251 1.382 10 0 ADAERN C/C=C\C(=O)NC[C@@H]1CCOC1(C)C 693140471 757383981 /nfs/dbraw/zinc/38/39/81/757383981.db2.gz ABRIQMKPMKJLDQ-WBSSQXGSSA-N 0 0 197.278 1.494 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@H]1c1cnsc1 712930527 572192490 /nfs/dbraw/zinc/19/24/90/572192490.db2.gz LCBRWGJMERQQEW-SFYZADRCSA-N 0 0 196.275 1.525 10 0 ADAERN CC(C)C(=O)N1C[C@@H](C)OCC1(C)C 36102286 572192509 /nfs/dbraw/zinc/19/25/09/572192509.db2.gz AYXLURNGAPBAEC-SECBINFHSA-N 0 0 199.294 1.668 10 0 ADAERN C/C=C/C(=O)NC[C@H]1CCOC1(C)C 693140472 757385081 /nfs/dbraw/zinc/38/50/81/757385081.db2.gz ABRIQMKPMKJLDQ-XNPJLODASA-N 0 0 197.278 1.494 10 0 ADAERN C/C=C\C(=O)NC[C@H]1CCOC1(C)C 693140475 757385172 /nfs/dbraw/zinc/38/51/72/757385172.db2.gz ABRIQMKPMKJLDQ-XRVBUDJMSA-N 0 0 197.278 1.494 10 0 ADAERN CC[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](C(=O)[O-])C1 693022615 757385632 /nfs/dbraw/zinc/38/56/32/757385632.db2.gz APTRMHDFMMMZMR-ZYUZMQFOSA-N 0 0 199.294 1.874 10 0 ADAERN CC/C=C(/C)[C@@H](O)[C@@H](C)C(=O)OC 214616350 572195258 /nfs/dbraw/zinc/19/52/58/572195258.db2.gz MSWBTAZMWCHJPI-IEKVDETDSA-N 0 0 186.251 1.513 10 0 ADAERN C[C@H](CO)NC(=O)[C@]12CCCC[C@H]1C2 693289491 757386299 /nfs/dbraw/zinc/38/62/99/757386299.db2.gz JIPBZBZPCXNADS-YWVKMMECSA-N 0 0 197.278 1.064 10 0 ADAERN C=CC(=O)NC[C@H]1CCOC1(C)C 693146954 757386399 /nfs/dbraw/zinc/38/63/99/757386399.db2.gz OTXIDXGAQBPMNX-MRVPVSSYSA-N 0 0 183.251 1.104 10 0 ADAERN C[C@H](CC[C@H]1CCCO1)OCCO 238438484 572720678 /nfs/dbraw/zinc/72/06/78/572720678.db2.gz DGBJRBDQELBOOT-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@H](OCC1CC1)C(N)=S 43515133 572195274 /nfs/dbraw/zinc/19/52/74/572195274.db2.gz ICLCYTBQUURFMZ-YFKPBYRVSA-N 0 0 159.254 1.088 10 0 ADAERN C[C@@H](O)CNC(=O)[C@@]12CCCC[C@@H]1C2 693292115 757386845 /nfs/dbraw/zinc/38/68/45/757386845.db2.gz WOZNXXYGTVGAEF-FXPVBKGRSA-N 0 0 197.278 1.064 10 0 ADAERN CN(C)C(=O)[C@]12CCCC[C@H]1C2 693257914 757386925 /nfs/dbraw/zinc/38/69/25/757386925.db2.gz QBFYTXJBPUUBAU-WPRPVWTQSA-N 0 0 167.252 1.655 10 0 ADAERN CCCNC(=O)c1c(C)n[nH]c1C 36164751 572195294 /nfs/dbraw/zinc/19/52/94/572195294.db2.gz ZZZUCSBOMYCCGV-UHFFFAOYSA-N 0 0 181.239 1.166 10 0 ADAERN CC[C@H](C)NC(=O)c1c(C)n[nH]c1C 36164858 572195300 /nfs/dbraw/zinc/19/53/00/572195300.db2.gz SKISRWIWYLNVET-LURJTMIESA-N 0 0 195.266 1.555 10 0 ADAERN CN(C)C(=O)[C@@]12CCCC[C@@H]1C2 693257910 757387269 /nfs/dbraw/zinc/38/72/69/757387269.db2.gz QBFYTXJBPUUBAU-PSASIEDQSA-N 0 0 167.252 1.655 10 0 ADAERN CONC(=O)[C@@]12CCCC[C@@H]1C2 693257310 757387359 /nfs/dbraw/zinc/38/73/59/757387359.db2.gz NVIGDTHITQTPMN-VXNVDRBHSA-N 0 0 169.224 1.244 10 0 ADAERN C[C@@H](O)CNC(=O)[C@]12CCCC[C@H]1C2 693292130 757387294 /nfs/dbraw/zinc/38/72/94/757387294.db2.gz WOZNXXYGTVGAEF-YWVKMMECSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H](CO)NC(=O)[C@]12CCCC[C@H]1C2 693289481 757387419 /nfs/dbraw/zinc/38/74/19/757387419.db2.gz JIPBZBZPCXNADS-QXEWZRGKSA-N 0 0 197.278 1.064 10 0 ADAERN Cc1cc(-c2ccc(=O)[nH]n2)c(C)o1 36168280 572195312 /nfs/dbraw/zinc/19/53/12/572195312.db2.gz WOLVAOYFSSCIHV-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN c1ccc2c(c1)CN1CC[NH2+]C[C@@H]21 36155408 572195321 /nfs/dbraw/zinc/19/53/21/572195321.db2.gz NBJGUFJEDVOREF-NSHDSACASA-N 0 0 174.247 1.147 10 0 ADAERN C[C@H](O)CNC(=O)[C@@]12CCCC[C@@H]1C2 693292116 757387848 /nfs/dbraw/zinc/38/78/48/757387848.db2.gz WOZNXXYGTVGAEF-IQJOONFLSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@H](O)CNC(=O)[C@]12CCCC[C@H]1C2 693292124 757387905 /nfs/dbraw/zinc/38/79/05/757387905.db2.gz WOZNXXYGTVGAEF-QXEWZRGKSA-N 0 0 197.278 1.064 10 0 ADAERN CONC(=O)[C@]12CCCC[C@H]1C2 693257306 757387933 /nfs/dbraw/zinc/38/79/33/757387933.db2.gz NVIGDTHITQTPMN-CBAPKCEASA-N 0 0 169.224 1.244 10 0 ADAERN C/C=C\COc1cnccc1CO 308099388 572722312 /nfs/dbraw/zinc/72/23/12/572722312.db2.gz ATQFBJLAKITDON-IHWYPQMZSA-N 0 0 179.219 1.529 10 0 ADAERN C[C@H](O)c1cnn(CC(F)F)c1 54724181 572722314 /nfs/dbraw/zinc/72/23/14/572722314.db2.gz BCHVUGLMMYZZHI-YFKPBYRVSA-N 0 0 176.166 1.202 10 0 ADAERN O=C(NC1COC1)[C@@]12CCCC[C@@H]1C2 693256725 757388053 /nfs/dbraw/zinc/38/80/53/757388053.db2.gz NJCLHFVCQADNHK-LDYMZIIASA-N 0 0 195.262 1.082 10 0 ADAERN O=C(NCCCO)[C@]12CCCC[C@H]1C2 693282557 757388308 /nfs/dbraw/zinc/38/83/08/757388308.db2.gz CKBBXYVIXQIANU-ONGXEEELSA-N 0 0 197.278 1.065 10 0 ADAERN C[C@@H](CO)NC(=O)[C@@]12CCCC[C@@H]1C2 693289467 757388408 /nfs/dbraw/zinc/38/84/08/757388408.db2.gz JIPBZBZPCXNADS-IQJOONFLSA-N 0 0 197.278 1.064 10 0 ADAERN CON(C)C(=O)[C@]12CCCC[C@H]1C2 693257288 757388765 /nfs/dbraw/zinc/38/87/65/757388765.db2.gz NQLFMCSSFHQZIT-WPRPVWTQSA-N 0 0 183.251 1.587 10 0 ADAERN C[C@H](CO)NC(=O)[C@@]12CCCC[C@@H]1C2 693289463 757388781 /nfs/dbraw/zinc/38/87/81/757388781.db2.gz JIPBZBZPCXNADS-FXPVBKGRSA-N 0 0 197.278 1.064 10 0 ADAERN CON(C)C(=O)[C@@]12CCCC[C@@H]1C2 693257282 757388898 /nfs/dbraw/zinc/38/88/98/757388898.db2.gz NQLFMCSSFHQZIT-PSASIEDQSA-N 0 0 183.251 1.587 10 0 ADAERN C=CC(=O)NC[C@@H]1CCOC1(C)C 693146956 757389016 /nfs/dbraw/zinc/38/90/16/757389016.db2.gz OTXIDXGAQBPMNX-QMMMGPOBSA-N 0 0 183.251 1.104 10 0 ADAERN CC(=O)CC(=O)N(C)[C@H](C)C1CC1 37790636 572195380 /nfs/dbraw/zinc/19/53/80/572195380.db2.gz CEJJHOIFKFIQDP-MRVPVSSYSA-N 0 0 183.251 1.222 10 0 ADAERN O=C(NCCCO)[C@@]12CCCC[C@@H]1C2 693282554 757389079 /nfs/dbraw/zinc/38/90/79/757389079.db2.gz CKBBXYVIXQIANU-MWLCHTKSSA-N 0 0 197.278 1.065 10 0 ADAERN O=C(NC1COC1)[C@]12CCCC[C@H]1C2 693256719 757389402 /nfs/dbraw/zinc/38/94/02/757389402.db2.gz NJCLHFVCQADNHK-KWQFWETISA-N 0 0 195.262 1.082 10 0 ADAERN CCN(C)C(=O)NC[C@@]12CCC[C@@H]1C2 693564278 757389962 /nfs/dbraw/zinc/38/99/62/757389962.db2.gz HSVXIEBLHZVWBX-KOLCDFICSA-N 0 0 196.294 1.838 10 0 ADAERN COC(=O)NC[C@@]12CCC[C@@H]1C2 693563456 757390069 /nfs/dbraw/zinc/39/00/69/757390069.db2.gz DICZPIYBKXMJOK-APPZFPTMSA-N 0 0 169.224 1.533 10 0 ADAERN CCC(=O)NC[C@@]12CCC[C@@H]1C2 693570133 757390259 /nfs/dbraw/zinc/39/02/59/757390259.db2.gz RNJKMWVOTNYHSW-SCZZXKLOSA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@H](O)Cn1ncc(Cl)c1C 70704058 572728501 /nfs/dbraw/zinc/72/85/01/572728501.db2.gz BANGAAXTFXJOHJ-ZETCQYMHSA-N 0 0 188.658 1.616 10 0 ADAERN COCC(=O)NC[C@]12CCCC[C@H]1C2 693578581 757390557 /nfs/dbraw/zinc/39/05/57/757390557.db2.gz ORWSFURHPYHEMM-GXSJLCMTSA-N 0 0 197.278 1.329 10 0 ADAERN CCONCc1ccn([C@H](C)CC)n1 83116319 572195435 /nfs/dbraw/zinc/19/54/35/572195435.db2.gz PWHNKVDVGQPSDV-SECBINFHSA-N 0 0 197.282 1.895 10 0 ADAERN CC(C)NC(=O)NC[C@@]12CCC[C@@H]1C2 693565353 757391203 /nfs/dbraw/zinc/39/12/03/757391203.db2.gz LPWAVDJTCOHGBP-KOLCDFICSA-N 0 0 196.294 1.884 10 0 ADAERN COC1CC(C(=O)OC(C)(C)C)C1 308101173 572728509 /nfs/dbraw/zinc/72/85/09/572728509.db2.gz GDDQSHGRLNPBAY-UHFFFAOYSA-N 0 0 186.251 1.753 10 0 ADAERN CC(C)c1nnc2n1N[C@H](C)CS2 36150369 572195462 /nfs/dbraw/zinc/19/54/62/572195462.db2.gz NMRWQUUDQDPGFX-ZCFIWIBFSA-N 0 0 198.295 1.439 10 0 ADAERN O=Cc1nnc(-c2ccc(O)cc2)o1 249926537 572197212 /nfs/dbraw/zinc/19/72/12/572197212.db2.gz ZRNHHADGZLTEJG-UHFFFAOYSA-N 0 0 190.158 1.255 10 0 ADAERN CO[C@H](C)C(=O)NC[C@@]12CCC[C@@H]1C2 693571182 757391728 /nfs/dbraw/zinc/39/17/28/757391728.db2.gz YOOPHQVWVOMNRQ-KKZNHRDASA-N 0 0 197.278 1.328 10 0 ADAERN CCNC(=O)NC[C@]12CCCC[C@H]1C2 693564915 757392617 /nfs/dbraw/zinc/39/26/17/757392617.db2.gz KESXCXFRFHICRA-GXSJLCMTSA-N 0 0 196.294 1.886 10 0 ADAERN CCNC(=O)NC[C@@]12CCCC[C@@H]1C2 693564917 757392843 /nfs/dbraw/zinc/39/28/43/757392843.db2.gz KESXCXFRFHICRA-KOLCDFICSA-N 0 0 196.294 1.886 10 0 ADAERN CCn1ccc(NCc2cn[nH]c2)n1 693513907 757392921 /nfs/dbraw/zinc/39/29/21/757392921.db2.gz AMFFONAMLOCBCR-UHFFFAOYSA-N 0 0 191.238 1.238 10 0 ADAERN CCNC(=O)NC[C@@]12CCC[C@@H]1C2 693568642 757393200 /nfs/dbraw/zinc/39/32/00/757393200.db2.gz ZMDDFXZTGNPUDV-SCZZXKLOSA-N 0 0 182.267 1.496 10 0 ADAERN CCCNC(=O)NC[C@@]12CCC[C@@H]1C2 693565379 757393300 /nfs/dbraw/zinc/39/33/00/757393300.db2.gz LVKRFWUSQKPSTC-KOLCDFICSA-N 0 0 196.294 1.886 10 0 ADAERN COC(=O)NCc1cccc(CO)c1 70944164 572761280 /nfs/dbraw/zinc/76/12/80/572761280.db2.gz QUPXJFNZUHRKOG-UHFFFAOYSA-N 0 0 195.218 1.035 10 0 ADAERN CN(C)C(=O)NC[C@]12CCCC[C@H]1C2 693567341 757393652 /nfs/dbraw/zinc/39/36/52/757393652.db2.gz SJKNOFLYYHRMSU-GXSJLCMTSA-N 0 0 196.294 1.838 10 0 ADAERN O=C(NC[C@@]12CCC[C@@H]1C2)NC1CC1 693566164 757393700 /nfs/dbraw/zinc/39/37/00/757393700.db2.gz PANOGAJEBKXCMM-KCJUWKMLSA-N 0 0 194.278 1.638 10 0 ADAERN CC(C)(O)C(=O)NC[C@@]12CCC[C@@H]1C2 693569229 757393726 /nfs/dbraw/zinc/39/37/26/757393726.db2.gz GWJXTCRWZMDDEQ-KCJUWKMLSA-N 0 0 197.278 1.064 10 0 ADAERN Cc1cc(C)n(-c2[nH]nc(C)c2N)n1 19737403 572197713 /nfs/dbraw/zinc/19/77/13/572197713.db2.gz XABFKDQSDWJYFL-UHFFFAOYSA-N 0 0 191.238 1.103 10 0 ADAERN O=C(NC[C@@]12CCC[C@@H]1C2)C(F)F 693569707 757394036 /nfs/dbraw/zinc/39/40/36/757394036.db2.gz QJRSBZPNWQGQPW-MUWHJKNJSA-N 0 0 189.205 1.558 10 0 ADAERN CC(C)C(=O)NC[C@@]12CCC[C@@H]1C2 693566633 757394133 /nfs/dbraw/zinc/39/41/33/757394133.db2.gz GLCLBZCKHMSOHJ-KOLCDFICSA-N 0 0 181.279 1.949 10 0 ADAERN CN(C)C(=O)NC[C@@]12CCC[C@@H]1C2 693568480 757394472 /nfs/dbraw/zinc/39/44/72/757394472.db2.gz YDUNKGWFYIHJGZ-SCZZXKLOSA-N 0 0 182.267 1.448 10 0 ADAERN O=C(NC[C@@]12CCC[C@@H]1C2)C1CC1 693571294 757394509 /nfs/dbraw/zinc/39/45/09/757394509.db2.gz ZMWHIAMMVLVUKY-KOLCDFICSA-N 0 0 179.263 1.703 10 0 ADAERN COC[C@H](C)C(=O)[C@H](OC)C1CC1 687795219 572210920 /nfs/dbraw/zinc/21/09/20/572210920.db2.gz OOOZWJLOMOGRHA-OIBJUYFYSA-N 0 0 186.251 1.263 10 0 ADAERN C[C@H]1OC(=O)N[C@H]1C(C)(C)C 36458708 572210925 /nfs/dbraw/zinc/21/09/25/572210925.db2.gz SWMIQHDRPJPYJM-PHDIDXHHSA-N 0 0 157.213 1.529 10 0 ADAERN c1nc(C[NH2+]C[C@@]23CCC[C@@H]2C3)co1 693544849 757394969 /nfs/dbraw/zinc/39/49/69/757394969.db2.gz QWGGUBMLGOLOFT-KOLCDFICSA-N 0 0 192.262 1.954 10 0 ADAERN C[C@]12CCCCC(=O)[C@H]1O2 36455635 572210926 /nfs/dbraw/zinc/21/09/26/572210926.db2.gz ZRGFYIZBOFMVNN-SFYZADRCSA-N 0 0 140.182 1.287 10 0 ADAERN CN(C)C(=O)NC[C@@]12CCCC[C@@H]1C2 693567342 757395144 /nfs/dbraw/zinc/39/51/44/757395144.db2.gz SJKNOFLYYHRMSU-KOLCDFICSA-N 0 0 196.294 1.838 10 0 ADAERN [NH3+][C@@H](CC1=CCCCCC1)C(=O)[O-] 141517742 572778738 /nfs/dbraw/zinc/77/87/38/572778738.db2.gz VSMVXPQPJSEKPL-VIFPVBQESA-N 0 0 183.251 1.679 10 0 ADAERN CCc1cc(N)ccc1OC 36202056 572199031 /nfs/dbraw/zinc/19/90/31/572199031.db2.gz ZWVYDKVOUIDDFR-UHFFFAOYSA-N 0 0 151.209 1.840 10 0 ADAERN C[C@@H]1C[C@@H]1c1ccc(CN(C)C=O)o1 83144937 572199278 /nfs/dbraw/zinc/19/92/78/572199278.db2.gz URANMWVAHJCCFS-SCZZXKLOSA-N 0 0 193.246 1.991 10 0 ADAERN CCCOC[C@]1(O)CCOC[C@@H]1C 300972304 572199279 /nfs/dbraw/zinc/19/92/79/572199279.db2.gz HHNYJZICYBJDDV-VHSXEESVSA-N 0 0 188.267 1.201 10 0 ADAERN CC(C)(C)[C@H](Cn1ccnc1)NC=O 83145463 572199284 /nfs/dbraw/zinc/19/92/84/572199284.db2.gz NUMUATPKVQYDMX-VIFPVBQESA-N 0 0 195.266 1.044 10 0 ADAERN C/C=C\[C@H](O)CC[C@H](O)/C=C/C 307934553 572791906 /nfs/dbraw/zinc/79/19/06/572791906.db2.gz JDHGHUNYQRSHQB-QQMKGDIISA-N 0 0 170.252 1.641 10 0 ADAERN C/C=C\CCNS(=O)(=O)C(F)F 307933890 572791909 /nfs/dbraw/zinc/79/19/09/572791909.db2.gz QPGBIUWGSXLERM-IHWYPQMZSA-N 0 0 199.222 1.095 10 0 ADAERN Fc1nccnc1N[C@@]12CCC[C@@H]1C2 693828553 757396953 /nfs/dbraw/zinc/39/69/53/757396953.db2.gz IDQCWSJHNBEFLR-GMSGAONNSA-N 0 0 193.225 1.970 10 0 ADAERN C[C@H]([NH2+]C[C@]12CCCC[C@H]1C2)C(=O)[O-] 693608245 757397518 /nfs/dbraw/zinc/39/75/18/757397518.db2.gz DTSNSKIJYWLRKG-ATZCPNFKSA-N 0 0 197.278 1.629 10 0 ADAERN CCN[C@]1(C(=O)OC)CCC[C@@H]1C 83393622 572207280 /nfs/dbraw/zinc/20/72/80/572207280.db2.gz DKOOPJUJQWDSLS-WCBMZHEXSA-N 0 0 185.267 1.328 10 0 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RVUDRUQVIRHBNX-UWVGGRQHSA-N 0 0 163.220 1.710 10 0 ADAERN CCO[C@@H]1CCC[C@H]([C@@H](C)CO)O1 238263974 572483357 /nfs/dbraw/zinc/48/33/57/572483357.db2.gz LMVRMCPHWHDLSD-AEJSXWLSSA-N 0 0 188.267 1.547 10 0 ADAERN CC(C)OCC(=O)c1ccoc1 86521648 572952763 /nfs/dbraw/zinc/95/27/63/572952763.db2.gz ZKMMOIRISABXGL-UHFFFAOYSA-N 0 0 168.192 1.887 10 0 ADAERN CC(=O)N1CCNc2cccc(F)c21 74246949 572485652 /nfs/dbraw/zinc/48/56/52/572485652.db2.gz WSIFLUHLZXASBK-UHFFFAOYSA-N 0 0 194.209 1.604 10 0 ADAERN CCCOC[C@@H](O)c1ncccc1C 86522623 572953563 /nfs/dbraw/zinc/95/35/63/572953563.db2.gz LLJIFXWALUACOS-SNVBAGLBSA-N 0 0 195.262 1.850 10 0 ADAERN CCCOC[C@@H](O)CSCCC 86523065 572953569 /nfs/dbraw/zinc/95/35/69/572953569.db2.gz OAFJIUFFTZEQOS-SECBINFHSA-N 0 0 192.324 1.917 10 0 ADAERN CCOC[C@H](O)c1cc(C)cnc1N 84063563 572486603 /nfs/dbraw/zinc/48/66/03/572486603.db2.gz XNKZMUQCZDNYOC-VIFPVBQESA-N 0 0 196.250 1.042 10 0 ADAERN COCCC[C@@H](O)COC(C)C 86523055 572953577 /nfs/dbraw/zinc/95/35/77/572953577.db2.gz MLAJIQLCUMWLLG-SECBINFHSA-N 0 0 176.256 1.199 10 0 ADAERN CCCCc1ccc([C@@H]([NH3+])CO)nc1 238264574 572486617 /nfs/dbraw/zinc/48/66/17/572486617.db2.gz DOBBXCJXIDJQIV-JTQLQIEISA-N 0 0 194.278 1.416 10 0 ADAERN C[C@H]1CN(C)N=C(c2ccccc2)O1 141486609 572486642 /nfs/dbraw/zinc/48/66/42/572486642.db2.gz FZGLTAVMONJJLI-VIFPVBQESA-N 0 0 190.246 1.699 10 0 ADAERN C1=C[C@@H](NCc2cocn2)CC1 698197362 757452207 /nfs/dbraw/zinc/45/22/07/757452207.db2.gz RMVRNUCLKNBYHG-MRVPVSSYSA-N 0 0 164.208 1.483 10 0 ADAERN CC[C@@H](O)/C(=C/c1ccccc1)CO 238265279 572486690 /nfs/dbraw/zinc/48/66/90/572486690.db2.gz CPYIVOQXXBGQEE-JATZPVMKSA-N 0 0 192.258 1.833 10 0 ADAERN C1=C[C@H](NCc2cocn2)CC1 698197365 757452760 /nfs/dbraw/zinc/45/27/60/757452760.db2.gz RMVRNUCLKNBYHG-QMMMGPOBSA-N 0 0 164.208 1.483 10 0 ADAERN Cc1coc(-c2noc([C@H](C)N)n2)n1 74247112 572490235 /nfs/dbraw/zinc/49/02/35/572490235.db2.gz LDJXLKJFJWJUJP-YFKPBYRVSA-N 0 0 194.194 1.053 10 0 ADAERN CCCOc1cc(C)ncc1CO 88110475 572965770 /nfs/dbraw/zinc/96/57/70/572965770.db2.gz ZHHNYKNBZQYISW-UHFFFAOYSA-N 0 0 181.235 1.671 10 0 ADAERN Cc1nc2ccccn2c1CN(C)O 214641600 572490286 /nfs/dbraw/zinc/49/02/86/572490286.db2.gz GXXIACZEYWNAFJ-UHFFFAOYSA-N 0 0 191.234 1.464 10 0 ADAERN CCOCc1noc(NCC(C)C)n1 84065154 572490289 /nfs/dbraw/zinc/49/02/89/572490289.db2.gz VWXSLTMGYUVNRO-UHFFFAOYSA-N 0 0 199.254 1.674 10 0 ADAERN CCC[C@H](C[NH+]1CCCC1)C(=O)[O-] 86658680 572969714 /nfs/dbraw/zinc/96/97/14/572969714.db2.gz DMRHXTRAJVEWGH-SECBINFHSA-N 0 0 185.267 1.583 10 0 ADAERN Cc1noc(N[C@@H](C)CC2CC2)n1 235082964 572490318 /nfs/dbraw/zinc/49/03/18/572490318.db2.gz LQDBFCOXYGYPJO-LURJTMIESA-N 0 0 181.239 1.979 10 0 ADAERN COC[C@H](C1CC1)n1nc(C)cc1N 87481960 572490331 /nfs/dbraw/zinc/49/03/31/572490331.db2.gz ALSQXUXQTGCBNN-SECBINFHSA-N 0 0 195.266 1.371 10 0 ADAERN COC(C)(C)C(=O)N[C@@H]1C=CCC1 698283330 757455280 /nfs/dbraw/zinc/45/52/80/757455280.db2.gz HWGCUMHXLYXUSW-MRVPVSSYSA-N 0 0 183.251 1.246 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/nfs/dbraw/zinc/45/72/66/757457266.db2.gz VVPTZAPHFXOICM-SNAWJCMRSA-N 0 0 197.307 1.902 10 0 ADAERN CCOC(=O)[C@H](C)N[C@H]1CC=CCC1 84067333 572493726 /nfs/dbraw/zinc/49/37/26/572493726.db2.gz HTFYVELQTKCSSL-UWVGGRQHSA-N 0 0 197.278 1.636 10 0 ADAERN CO[C@@H]1CCC[C@@](C)(O)C1 234752854 572497237 /nfs/dbraw/zinc/49/72/37/572497237.db2.gz DNLJDRYEAHWZRD-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN CC(=O)[C@@H](C)Cc1cnccn1 117240920 572497244 /nfs/dbraw/zinc/49/72/44/572497244.db2.gz JLXRQUMYVROYMJ-ZETCQYMHSA-N 0 0 164.208 1.244 10 0 ADAERN COC(C)(C)C(=O)N[C@H]1C=CCC1 698283331 757458624 /nfs/dbraw/zinc/45/86/24/757458624.db2.gz HWGCUMHXLYXUSW-QMMMGPOBSA-N 0 0 183.251 1.246 10 0 ADAERN CCOC(=O)CCc1cc(C)ccn1 238270294 572497261 /nfs/dbraw/zinc/49/72/61/572497261.db2.gz IAPHZRDRNYVHIC-UHFFFAOYSA-N 0 0 193.246 1.886 10 0 ADAERN CCOc1cc(OC)cnc1C(C)=O 238271256 572497274 /nfs/dbraw/zinc/49/72/74/572497274.db2.gz WOTRCIWEYLDYCW-UHFFFAOYSA-N 0 0 195.218 1.692 10 0 ADAERN FC(F)(F)SCCn1ccnn1 699099031 757459466 /nfs/dbraw/zinc/45/94/66/757459466.db2.gz DWQIXJGQLSNMIR-UHFFFAOYSA-N 0 0 197.185 1.531 10 0 ADAERN C[C@]1(n2cccc2)CCS(=O)(=O)C1 44932005 572497282 /nfs/dbraw/zinc/49/72/82/572497282.db2.gz CMCVEECUADURCO-VIFPVBQESA-N 0 0 199.275 1.022 10 0 ADAERN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C(=O)[O-] 698385712 757459687 /nfs/dbraw/zinc/45/96/87/757459687.db2.gz NYTOCDHEPLRKHM-XVYDVKMFSA-N 0 0 183.251 1.095 10 0 ADAERN CC[C@@H](C)CNc1nc(N)ns1 85428523 573023035 /nfs/dbraw/zinc/02/30/35/573023035.db2.gz DQXINEWKYPZTKD-RXMQYKEDSA-N 0 0 186.284 1.578 10 0 ADAERN C[N@@H+]1CC[C@@H]2C[C@H](C(=O)[O-])CC[C@H]2C1 250637960 572504007 /nfs/dbraw/zinc/50/40/07/572504007.db2.gz SKFIAQOKLKINLI-BBBLOLIVSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)[C@H](C)OCC[C@@H](C)O 87469838 572504019 /nfs/dbraw/zinc/50/40/19/572504019.db2.gz UKUPQKPWBFMLEI-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN CCSCCNCC(F)(F)F 53616470 572507138 /nfs/dbraw/zinc/50/71/38/572507138.db2.gz SOJRTGLXTRJDOA-UHFFFAOYSA-N 0 0 187.230 1.891 10 0 ADAERN CCCc1cc(CC(N)=O)ccc1O 238275718 572507141 /nfs/dbraw/zinc/50/71/41/572507141.db2.gz SKEQRJJQPIAODO-UHFFFAOYSA-N 0 0 193.246 1.373 10 0 ADAERN CC/C=C/C(=O)N[C@@H](C)C1CC1 308044040 572507146 /nfs/dbraw/zinc/50/71/46/572507146.db2.gz ONTZKGXJNCIVMX-ZJELKQJVSA-N 0 0 167.252 1.867 10 0 ADAERN CC1CN(C(=O)c2ccc(F)nc2)C1 698701457 757461169 /nfs/dbraw/zinc/46/11/69/757461169.db2.gz BRVAVJUJNBFITK-UHFFFAOYSA-N 0 0 194.209 1.313 10 0 ADAERN CN(CC(C)(C)C)c1ncc(N)cn1 45071011 572507173 /nfs/dbraw/zinc/50/71/73/572507173.db2.gz HOHSSZACUCYKRN-UHFFFAOYSA-N 0 0 194.282 1.541 10 0 ADAERN COCc1nc2ccc(C)nc2[nH]1 88037455 573051983 /nfs/dbraw/zinc/05/19/83/573051983.db2.gz NOVSQOGOUBGFGV-UHFFFAOYSA-N 0 0 177.207 1.413 10 0 ADAERN CCOCC[C@H](C)[C@@H]1COC(=O)N1 238280008 572518716 /nfs/dbraw/zinc/51/87/16/572518716.db2.gz ADJUJZPESFPDIA-YUMQZZPRSA-N 0 0 187.239 1.158 10 0 ADAERN CCOC(=N)c1cccc(C(N)=O)c1 238279962 572518720 /nfs/dbraw/zinc/51/87/20/572518720.db2.gz ZUPTWHYMZVCHTD-UHFFFAOYSA-N 0 0 192.218 1.147 10 0 ADAERN CCc1cc(C[NH2+]C2CC2)n(CC)n1 84243508 572518721 /nfs/dbraw/zinc/51/87/21/572518721.db2.gz YWALDLFBYYTNQZ-UHFFFAOYSA-N 0 0 193.294 1.717 10 0 ADAERN CCc1cc(C[NH2+][C@@H]2C[C@@H]2C)n(C)n1 84244456 572518729 /nfs/dbraw/zinc/51/87/29/572518729.db2.gz HCPYCZJWFIGAGU-GZMMTYOYSA-N 0 0 193.294 1.481 10 0 ADAERN Nc1cccc([S@@](=O)CC2CC2)c1 88063413 573059858 /nfs/dbraw/zinc/05/98/58/573059858.db2.gz ZTBNWDAXUBNHSG-CYBMUJFWSA-N 0 0 195.287 1.786 10 0 ADAERN Cc1nnc(C[NH2+]CC2(C)CCC2)o1 235950009 572518736 /nfs/dbraw/zinc/51/87/36/572518736.db2.gz YWZIVQSWGAFWSK-UHFFFAOYSA-N 0 0 195.266 1.658 10 0 ADAERN Fc1nccnc1N1CC[C@@H]2C[C@@H]2C1 699294284 757466182 /nfs/dbraw/zinc/46/61/82/757466182.db2.gz UNEHCKTXDLFIQM-HTQZYQBOSA-N 0 0 193.225 1.462 10 0 ADAERN CCn1nc(C)cc1C[NH2+][C@@H]1C[C@H]1C 84244452 572518743 /nfs/dbraw/zinc/51/87/43/572518743.db2.gz VQJFSSZNOCRISL-LDYMZIIASA-N 0 0 193.294 1.709 10 0 ADAERN CCO[C@@H]1CCCC[C@@H]1CO 238263291 573059867 /nfs/dbraw/zinc/05/98/67/573059867.db2.gz CKUQYMMRMXIPQS-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN C/C=C/C[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 62876472 572518781 /nfs/dbraw/zinc/51/87/81/572518781.db2.gz NUXCXOBCVWHYOR-PGLGOXFNSA-N 0 0 197.278 1.749 10 0 ADAERN Fc1nccnc1N1CC[C@H]2C[C@H]2C1 699294296 757467496 /nfs/dbraw/zinc/46/74/96/757467496.db2.gz UNEHCKTXDLFIQM-YUMQZZPRSA-N 0 0 193.225 1.462 10 0 ADAERN Cc1cc(-c2ncncc2N)ns1 74269349 572518784 /nfs/dbraw/zinc/51/87/84/572518784.db2.gz SMGVVADFQMLZEK-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1cccc([S@](=O)CC2CC2)c1 88063414 573062941 /nfs/dbraw/zinc/06/29/41/573062941.db2.gz ZTBNWDAXUBNHSG-ZDUSSCGKSA-N 0 0 195.287 1.786 10 0 ADAERN Cc1cc(F)ccc1NC1COC1 82487903 573070586 /nfs/dbraw/zinc/07/05/86/573070586.db2.gz BHJXNNIKVGBPJJ-UHFFFAOYSA-N 0 0 181.210 1.945 10 0 ADAERN CCO[C@H](C)O[C@H](C)C/C=C/CO 238283041 572518830 /nfs/dbraw/zinc/51/88/30/572518830.db2.gz DBVFTNOLPKAAQK-ROSGPLSXSA-N 0 0 188.267 1.713 10 0 ADAERN CCOC(=O)/C=C/[C@@H](O)C1CCCC1 238281168 572518832 /nfs/dbraw/zinc/51/88/32/572518832.db2.gz AJJMAZDYAXWRTN-QROSGCPLSA-N 0 0 198.262 1.657 10 0 ADAERN CC[C@@H](C(N)=O)[C@H](O)C1CCCCC1 238281164 572518836 /nfs/dbraw/zinc/51/88/36/572518836.db2.gz FJGILDKZSHHTDZ-NXEZZACHSA-N 0 0 199.294 1.439 10 0 ADAERN CC[NH2+]Cc1cc(CC)nn1C 84243525 572518843 /nfs/dbraw/zinc/51/88/43/572518843.db2.gz WCNHQMVHSRRQDN-UHFFFAOYSA-N 0 0 167.256 1.092 10 0 ADAERN CC[C@@H](C)[C@@H]([NH3+])C(C)(C)C(=O)[O-] 308050122 572518845 /nfs/dbraw/zinc/51/88/45/572518845.db2.gz RRANBDLAWDKGLW-RNFRBKRXSA-N 0 0 173.256 1.471 10 0 ADAERN CCn1nc(C)cc1C[C@@H](C)C(C)=O 84245484 572518849 /nfs/dbraw/zinc/51/88/49/572518849.db2.gz GUSWUYWXEQXMBV-MRVPVSSYSA-N 0 0 194.278 1.979 10 0 ADAERN C/C=C/C(=O)N1CC(CC2CC2)C1 699599646 757469537 /nfs/dbraw/zinc/46/95/37/757469537.db2.gz QUBYKKFDAYNQFJ-NSCUHMNNSA-N 0 0 179.263 1.821 10 0 ADAERN CC[C@@H]1COC[C@H]1N[C@@H](C)C(F)F 699530513 757469553 /nfs/dbraw/zinc/46/95/53/757469553.db2.gz FFMQYRWAUAFMKT-XLPZGREQSA-N 0 0 193.237 1.655 10 0 ADAERN COc1cccnc1[C@H]1CC[C@@H](O)C1 235110886 572518858 /nfs/dbraw/zinc/51/88/58/572518858.db2.gz XAIPESMJZRQACW-DTWKUNHWSA-N 0 0 193.246 1.719 10 0 ADAERN CC[C@@H]1COC[C@H]1N[C@H](C)C(F)F 699530507 757469980 /nfs/dbraw/zinc/46/99/80/757469980.db2.gz FFMQYRWAUAFMKT-BWZBUEFSSA-N 0 0 193.237 1.655 10 0 ADAERN C[C@H]1COC[C@@H]1Nc1nccnc1F 699757502 757470000 /nfs/dbraw/zinc/47/00/00/757470000.db2.gz XODNHFADZXACOZ-BQBZGAKWSA-N 0 0 197.213 1.063 10 0 ADAERN CCCONC(=O)CCSC 699799222 757470017 /nfs/dbraw/zinc/47/00/17/757470017.db2.gz KZEBXGCETDVYJW-UHFFFAOYSA-N 0 0 177.269 1.197 10 0 ADAERN C[C@H]1COC[C@H]1Nc1nccnc1F 699757508 757470077 /nfs/dbraw/zinc/47/00/77/757470077.db2.gz XODNHFADZXACOZ-NKWVEPMBSA-N 0 0 197.213 1.063 10 0 ADAERN CCC[C@@H]1OCC(=O)[C@H]1C 238279152 573100480 /nfs/dbraw/zinc/10/04/80/573100480.db2.gz JRIAFJASUARNIW-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN CCn1ncc(N)c1C(C)C 85634590 573100483 /nfs/dbraw/zinc/10/04/83/573100483.db2.gz ILLPAWACSGFUAV-UHFFFAOYSA-N 0 0 153.229 1.609 10 0 ADAERN CCc1cc(CCC(C)=O)n(CC)n1 84245447 572518893 /nfs/dbraw/zinc/51/88/93/572518893.db2.gz CBGYAZRBXULNJU-UHFFFAOYSA-N 0 0 194.278 1.987 10 0 ADAERN CC[C@@H]1COC[C@@H]1N[C@H](C)C(F)F 699530509 757470606 /nfs/dbraw/zinc/47/06/06/757470606.db2.gz FFMQYRWAUAFMKT-PRJMDXOYSA-N 0 0 193.237 1.655 10 0 ADAERN C[C@H]1CCC[C@H]1[C@@H](C)O 85658549 573100486 /nfs/dbraw/zinc/10/04/86/573100486.db2.gz PWNGUKSWPILNCX-XLPZGREQSA-N 0 0 128.215 1.803 10 0 ADAERN C=CC=CCC[C@@H](O)c1nc[nH]n1 713719311 572518904 /nfs/dbraw/zinc/51/89/04/572518904.db2.gz KJSXTFGXCZFCEB-TUUFMJSCSA-N 0 0 179.223 1.361 10 0 ADAERN Cc1cc(-c2cnncc2N)sn1 74269320 572518909 /nfs/dbraw/zinc/51/89/09/572518909.db2.gz OZTDKYFTCBJVCS-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@@H]1COC[C@H]1Nc1nccnc1F 699757515 757471055 /nfs/dbraw/zinc/47/10/55/757471055.db2.gz XODNHFADZXACOZ-RNFRBKRXSA-N 0 0 197.213 1.063 10 0 ADAERN CC[C@@]1(O)CCC[C@]12CCCNC2=O 238279778 573106814 /nfs/dbraw/zinc/10/68/14/573106814.db2.gz GHGKGOCJRFZKNV-GHMZBOCLSA-N 0 0 197.278 1.208 10 0 ADAERN CCNc1ncnc(Cl)c1C 82565549 573106816 /nfs/dbraw/zinc/10/68/16/573106816.db2.gz GKRNMCWVGAPNJB-UHFFFAOYSA-N 0 0 171.631 1.870 10 0 ADAERN O=Cc1c[nH]cc1Cc1cscn1 74269488 572518932 /nfs/dbraw/zinc/51/89/32/572518932.db2.gz XKYVHZKFBWXFFO-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN CCOC(=O)N[C@H](CO)c1ccco1 238284928 572519793 /nfs/dbraw/zinc/51/97/93/572519793.db2.gz IKIVDSHTSIVTMZ-SSDOTTSWSA-N 0 0 199.206 1.059 10 0 ADAERN CCCC[C@H](O)Cc1cc(C)nn1C 84262769 572521352 /nfs/dbraw/zinc/52/13/52/572521352.db2.gz JQFKQGOJDSWOGK-NSHDSACASA-N 0 0 196.294 1.822 10 0 ADAERN CCC[C@H](O)CCc1cc(C)nn1C 84266544 572521356 /nfs/dbraw/zinc/52/13/56/572521356.db2.gz CKZCJBIRKTXMCV-NSHDSACASA-N 0 0 196.294 1.822 10 0 ADAERN CC(C)Cc1nc2c(N)ncnc2o1 74269759 572521358 /nfs/dbraw/zinc/52/13/58/572521358.db2.gz MFSAOOVJEPBROG-UHFFFAOYSA-N 0 0 192.222 1.399 10 0 ADAERN O=C(c1ccoc1)c1ccc[nH]1 82564117 573106819 /nfs/dbraw/zinc/10/68/19/573106819.db2.gz ZHOCOOOIJPDDCB-UHFFFAOYSA-N 0 0 161.160 1.839 10 0 ADAERN Cc1cn([C@@H]2CCCSC2)c(N)[nH+]1 235957714 572522611 /nfs/dbraw/zinc/52/26/11/572522611.db2.gz QNOIUQNKYCYYAN-MRVPVSSYSA-N 0 0 197.307 1.842 10 0 ADAERN O[C@H]1CCN(c2cncc(Cl)c2)C1 141967753 573109468 /nfs/dbraw/zinc/10/94/68/573109468.db2.gz ZBUBBWGHDIIFKY-VIFPVBQESA-N 0 0 198.653 1.306 10 0 ADAERN Clc1nc([C@@H]2CCCOC2)no1 82580616 573109469 /nfs/dbraw/zinc/10/94/69/573109469.db2.gz FBMFEUKMGDQONX-RXMQYKEDSA-N 0 0 188.614 1.617 10 0 ADAERN C=C=C(C(=O)OCC)[C@H](O)C1CC1 238287222 572523620 /nfs/dbraw/zinc/52/36/20/572523620.db2.gz MTHSNXIRRZESGC-SECBINFHSA-N 0 0 182.219 1.032 10 0 ADAERN O=Cc1nc2cc3c(cc2[nH]1)OCO3 74275297 572523621 /nfs/dbraw/zinc/52/36/21/572523621.db2.gz OKSOTALRTRBKNB-UHFFFAOYSA-N 0 0 190.158 1.104 10 0 ADAERN Nc1nc([C@@H]2CCCOC2)ns1 82580500 573109476 /nfs/dbraw/zinc/10/94/76/573109476.db2.gz KRLJZDWQIRNTGJ-RXMQYKEDSA-N 0 0 185.252 1.014 10 0 ADAERN CC[C@@H](N)c1nc(-c2cc[nH]c2)no1 74269946 572523631 /nfs/dbraw/zinc/52/36/31/572523631.db2.gz NBARVCKLJXHPET-SSDOTTSWSA-N 0 0 192.222 1.475 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1[C@@H]1CCCOC1 82580465 573111023 /nfs/dbraw/zinc/11/10/23/573111023.db2.gz OOVCMIODUNBLJR-UTLUCORTSA-N 0 0 168.236 1.638 10 0 ADAERN CCn1c(=O)[nH]c2nc(Cl)ccc21 238286266 573112383 /nfs/dbraw/zinc/11/23/83/573112383.db2.gz MWTQLGGVGGCTTI-UHFFFAOYSA-N 0 0 197.625 1.398 10 0 ADAERN CCc1ncncc1OC1CCC1 238288138 573115442 /nfs/dbraw/zinc/11/54/42/573115442.db2.gz JYWAGMQFCFNXDX-UHFFFAOYSA-N 0 0 178.235 1.970 10 0 ADAERN CC(C)CCO[C@@H](C)C(=O)N1CC1 308268438 573115447 /nfs/dbraw/zinc/11/54/47/573115447.db2.gz QVWDVEANMSSSBL-VIFPVBQESA-N 0 0 185.267 1.280 10 0 ADAERN CCc1cc(C[C@](C)(O)CC)n(C)n1 84261843 572523662 /nfs/dbraw/zinc/52/36/62/572523662.db2.gz GIQUZBAZOQRELW-LLVKDONJSA-N 0 0 196.294 1.686 10 0 ADAERN CCCONC(=O)CCC(C)C 699788680 757474344 /nfs/dbraw/zinc/47/43/44/757474344.db2.gz CTGVOCZWADUNJK-UHFFFAOYSA-N 0 0 173.256 1.880 10 0 ADAERN CCc1cc(CC[C@H](O)CC)n(C)n1 84266580 572523689 /nfs/dbraw/zinc/52/36/89/572523689.db2.gz WIYYTNVSMFICNL-LLVKDONJSA-N 0 0 196.294 1.686 10 0 ADAERN C[C@@H]1COC[C@@H]1Nc1nccnc1F 699757519 757474719 /nfs/dbraw/zinc/47/47/19/757474719.db2.gz XODNHFADZXACOZ-RQJHMYQMSA-N 0 0 197.213 1.063 10 0 ADAERN CCC(=O)Cc1cc(CC)nn1CC 84263682 572523693 /nfs/dbraw/zinc/52/36/93/572523693.db2.gz YEWVMKVNBGHUAR-UHFFFAOYSA-N 0 0 194.278 1.987 10 0 ADAERN CCc1cc(C[C@H](C)[C@H](C)O)n(C)n1 84266638 572523698 /nfs/dbraw/zinc/52/36/98/572523698.db2.gz TVORDOKRLCPPOQ-IUCAKERBSA-N 0 0 196.294 1.542 10 0 ADAERN CCc1cc(CC[C@@H](C)O)n(CC)n1 84266492 572523705 /nfs/dbraw/zinc/52/37/05/572523705.db2.gz WXFPHXKOUQQBKJ-SECBINFHSA-N 0 0 196.294 1.779 10 0 ADAERN C[N@@H+]1CC[C@H]1[C@H](CC(=O)[O-])C1CCC1 250653572 572524021 /nfs/dbraw/zinc/52/40/21/572524021.db2.gz XHJDPNJGGHFNQE-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CC(=O)c1ccnn1C1CSC1 257951924 573134840 /nfs/dbraw/zinc/13/48/40/573134840.db2.gz WJKMFQUMSFPCKP-UHFFFAOYSA-N 0 0 182.248 1.374 10 0 ADAERN CC[C@@H]1COC[C@@H]1N[C@@H](C)C(F)F 699530511 757475326 /nfs/dbraw/zinc/47/53/26/757475326.db2.gz FFMQYRWAUAFMKT-RNJXMRFFSA-N 0 0 193.237 1.655 10 0 ADAERN C/C=C\C(=O)N1CC(CC2CC2)C1 699599644 757475355 /nfs/dbraw/zinc/47/53/55/757475355.db2.gz QUBYKKFDAYNQFJ-IHWYPQMZSA-N 0 0 179.263 1.821 10 0 ADAERN Cc1ncc(-c2nc(C)c(C=O)[nH]2)o1 74273497 572528694 /nfs/dbraw/zinc/52/86/94/572528694.db2.gz ZZKPEZCVWNTOFC-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN O=C([O-])c1ccc([C@H]2CCC[NH2+]2)o1 104666105 573148521 /nfs/dbraw/zinc/14/85/21/573148521.db2.gz IHTHCCXFOAFHOO-ZCFIWIBFSA-N 0 0 181.191 1.402 10 0 ADAERN Cc1cccc([C@H]2CNOC2)c1 258560100 573159988 /nfs/dbraw/zinc/15/99/88/573159988.db2.gz QKASLBWAWQEZMS-JTQLQIEISA-N 0 0 163.220 1.613 10 0 ADAERN Cc1cnnc(N[C@@H]2COC[C@@H]2C)c1 699847413 757476848 /nfs/dbraw/zinc/47/68/48/757476848.db2.gz MCDGMWOKAHCAAP-DTWKUNHWSA-N 0 0 193.250 1.232 10 0 ADAERN CN(CCO)C(=O)[C@@H]1C[C@H]1C(C)(C)C 699980512 757477016 /nfs/dbraw/zinc/47/70/16/757477016.db2.gz CPYUMKJTAZWGOM-RKDXNWHRSA-N 0 0 199.294 1.119 10 0 ADAERN OC[C@H](O)Cc1cccc(Cl)c1 196645487 572619913 /nfs/dbraw/zinc/61/99/13/572619913.db2.gz YQIVXIVIUUEOIQ-SECBINFHSA-N 0 0 186.638 1.236 10 0 ADAERN CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C 699993003 757477415 /nfs/dbraw/zinc/47/74/15/757477415.db2.gz VTCZBBRXYLYOPZ-HTQZYQBOSA-N 0 0 169.268 1.805 10 0 ADAERN O=C(N1CCCC1)C1(C(F)F)CC1 699995744 757477617 /nfs/dbraw/zinc/47/76/17/757477617.db2.gz IDFJCJPHODMLIJ-UHFFFAOYSA-N 0 0 189.205 1.654 10 0 ADAERN C[NH2+][C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCC[C@H]12 250778056 572534279 /nfs/dbraw/zinc/53/42/79/572534279.db2.gz WSZUPPZXQGJCKO-RYPBNFRJSA-N 0 0 183.251 1.095 10 0 ADAERN Cc1cnnc(N[C@H]2COC[C@H]2C)c1 699847410 757477916 /nfs/dbraw/zinc/47/79/16/757477916.db2.gz MCDGMWOKAHCAAP-BDAKNGLRSA-N 0 0 193.250 1.232 10 0 ADAERN CCONC(=O)[C@@H]1C[C@H]1C(C)(C)C 699995114 757478138 /nfs/dbraw/zinc/47/81/38/757478138.db2.gz ZAGZXAWUUXHMOO-HTQZYQBOSA-N 0 0 185.267 1.736 10 0 ADAERN CCCONC(=O)CC(C)(C)C 699855002 757478652 /nfs/dbraw/zinc/47/86/52/757478652.db2.gz FATNFOKJWQEGRS-UHFFFAOYSA-N 0 0 173.256 1.880 10 0 ADAERN C[C@H](CO)NC(=O)[C@@H]1C[C@H]1C(C)(C)C 699981974 757478805 /nfs/dbraw/zinc/47/88/05/757478805.db2.gz KMVNYWYUKNHWCL-IWSPIJDZSA-N 0 0 199.294 1.166 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCO1 699994833 757478960 /nfs/dbraw/zinc/47/89/60/757478960.db2.gz YKZABMTZHDPJRV-RKDXNWHRSA-N 0 0 197.278 1.833 10 0 ADAERN C[C@H](O)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C 699982175 757479048 /nfs/dbraw/zinc/47/90/48/757479048.db2.gz MKOVKBCZDUMPBR-DJLDLDEBSA-N 0 0 199.294 1.166 10 0 ADAERN Cc1cnn(C)c1[C@@H](O)COC(C)C 308507378 573161333 /nfs/dbraw/zinc/16/13/33/573161333.db2.gz ZROBKMUEOCYWDV-VIFPVBQESA-N 0 0 198.266 1.187 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1COC1 699992247 757479222 /nfs/dbraw/zinc/47/92/22/757479222.db2.gz SNJKZKYKZBUJRT-RKDXNWHRSA-N 0 0 197.278 1.184 10 0 ADAERN Cc1cnnc(N[C@H]2COC[C@@H]2C)c1 699847415 757479239 /nfs/dbraw/zinc/47/92/39/757479239.db2.gz MCDGMWOKAHCAAP-IUCAKERBSA-N 0 0 193.250 1.232 10 0 ADAERN C/C=C\[C@H]([NH3+])C(C)(C)C(=O)[O-] 215085769 573161339 /nfs/dbraw/zinc/16/13/39/573161339.db2.gz MHNXJTQQXZWWTA-XSIKTDMUSA-N 0 0 157.213 1.001 10 0 ADAERN CC[C@@H](O)[C@@H](COC)C1CC1 87501101 572534338 /nfs/dbraw/zinc/53/43/38/572534338.db2.gz XTJPNBDDVFBKKT-DTWKUNHWSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C 699982178 757479885 /nfs/dbraw/zinc/47/98/85/757479885.db2.gz MKOVKBCZDUMPBR-IWSPIJDZSA-N 0 0 199.294 1.166 10 0 ADAERN NN1CCCC[C@@H]1Cc1ccccc1 74273886 572534350 /nfs/dbraw/zinc/53/43/50/572534350.db2.gz TVWNXQJMXAODBE-GFCCVEGCSA-N 0 0 190.290 1.957 10 0 ADAERN Cc1nn(C)c(-c2cc(N)c[nH]2)c1C 74274113 572534357 /nfs/dbraw/zinc/53/43/57/572534357.db2.gz BJFNIMHGAGKFQM-UHFFFAOYSA-N 0 0 190.250 1.614 10 0 ADAERN CC[C@H](CCC(C)=O)OC 238297880 573162750 /nfs/dbraw/zinc/16/27/50/573162750.db2.gz YOXDRTIWMLLTTQ-MRVPVSSYSA-N 0 0 144.214 1.781 10 0 ADAERN O=N[C@H]1NC[C@@H]2CCCC[C@@H]21 115065990 573162753 /nfs/dbraw/zinc/16/27/53/573162753.db2.gz LWMCFRDUEPXWGV-BIIVOSGPSA-N 0 0 154.213 1.489 10 0 ADAERN CONC(=O)[C@@H]1C[C@H]1C(C)(C)C 699991124 757480783 /nfs/dbraw/zinc/48/07/83/757480783.db2.gz OTUMOAYLWDFDHA-RNFRBKRXSA-N 0 0 171.240 1.346 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C 699990206 757480815 /nfs/dbraw/zinc/48/08/15/757480815.db2.gz MBYPUJTWBCXYSW-HTQZYQBOSA-N 0 0 185.267 1.688 10 0 ADAERN CC(C)NC(=O)C1(C(F)F)CC1 699993801 757480834 /nfs/dbraw/zinc/48/08/34/757480834.db2.gz AAJOEWPWVMQECN-UHFFFAOYSA-N 0 0 177.194 1.556 10 0 ADAERN Cc1cnnc(N[C@@H]2COC[C@H]2C)c1 699847416 757480838 /nfs/dbraw/zinc/48/08/38/757480838.db2.gz MCDGMWOKAHCAAP-RKDXNWHRSA-N 0 0 193.250 1.232 10 0 ADAERN CCN(CC)C(=O)C1(C(F)F)CC1 699994735 757480856 /nfs/dbraw/zinc/48/08/56/757480856.db2.gz DYCXSDKUVLQZOP-UHFFFAOYSA-N 0 0 191.221 1.900 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1CC1 699993381 757480874 /nfs/dbraw/zinc/48/08/74/757480874.db2.gz WKYXBTCIUDLYTK-RKDXNWHRSA-N 0 0 181.279 1.947 10 0 ADAERN CCC(=O)N[C@H](CC)C(=O)CC 238294042 572534381 /nfs/dbraw/zinc/53/43/81/572534381.db2.gz GVTCLARUHZYQNL-SSDOTTSWSA-N 0 0 171.240 1.270 10 0 ADAERN CCOC(=O)[C@H](C(N)=S)C(C)C 238294255 572534393 /nfs/dbraw/zinc/53/43/93/572534393.db2.gz LYNSYQDTJPKZGA-LURJTMIESA-N 0 0 189.280 1.108 10 0 ADAERN Nc1ccc2c(c1)[C@@H](CO)CCO2 257967814 573198694 /nfs/dbraw/zinc/19/86/94/573198694.db2.gz YDWYGUPEXGIXJF-SSDOTTSWSA-N 0 0 179.219 1.127 10 0 ADAERN Cc1ccc([C@H](C)N[C@@H]2CNOC2)o1 703326664 757482456 /nfs/dbraw/zinc/48/24/56/757482456.db2.gz YSRPQOYUYCKQCM-DTWKUNHWSA-N 0 0 196.250 1.142 10 0 ADAERN Cc1[n-]n(C2CCC2)c(=O)c1CC[NH3+] 250987859 572537319 /nfs/dbraw/zinc/53/73/19/572537319.db2.gz IFBBPBABPCXEHK-UHFFFAOYSA-N 0 0 195.266 1.123 10 0 ADAERN C/C=C/C(=O)Nc1ccc(F)c(N)c1 63202471 572537325 /nfs/dbraw/zinc/53/73/25/572537325.db2.gz KQDFGHMOQPEMMH-NSCUHMNNSA-N 0 0 194.209 1.923 10 0 ADAERN CC/C=C/COC(=O)[C@@H]1C[C@H]1OCC 727044175 757483438 /nfs/dbraw/zinc/48/34/38/757483438.db2.gz MGBXOXYISVBJEH-GMCFVEKCSA-N 0 0 198.262 1.921 10 0 ADAERN CC[C@H](OC)C(=O)OCc1ccoc1 727043656 757483453 /nfs/dbraw/zinc/48/34/53/757483453.db2.gz GOMNMGLYYFCMQB-VIFPVBQESA-N 0 0 198.218 1.748 10 0 ADAERN CC(C)OCC(=O)OCc1ccoc1 727044129 757483512 /nfs/dbraw/zinc/48/35/12/757483512.db2.gz UTUISLUHRFBBAU-UHFFFAOYSA-N 0 0 198.218 1.748 10 0 ADAERN COCc1ccc(OC)c([C@H](C)O)c1 257967068 573198716 /nfs/dbraw/zinc/19/87/16/573198716.db2.gz CLMGFJNQUMZAGQ-QMMMGPOBSA-N 0 0 196.246 1.895 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CC[C@H]2CCC[C@@H]2C1 250983883 572537401 /nfs/dbraw/zinc/53/74/01/572537401.db2.gz BQPFPTIGDCECBS-NQMVMOMDSA-N 0 0 183.251 1.369 10 0 ADAERN CC[C@@H](OC)C(=O)OCc1ccoc1 727043654 757483693 /nfs/dbraw/zinc/48/36/93/757483693.db2.gz GOMNMGLYYFCMQB-SECBINFHSA-N 0 0 198.218 1.748 10 0 ADAERN CO[C@H](C)CC(=O)OCc1ccoc1 727043614 757483627 /nfs/dbraw/zinc/48/36/27/757483627.db2.gz CRVHKPJGSICOEW-MRVPVSSYSA-N 0 0 198.218 1.748 10 0 ADAERN CO[C@@H](C)CC(=O)OCc1ccoc1 727043615 757483819 /nfs/dbraw/zinc/48/38/19/757483819.db2.gz CRVHKPJGSICOEW-QMMMGPOBSA-N 0 0 198.218 1.748 10 0 ADAERN CCCOCC(=O)OCc1ccoc1 727043633 757483863 /nfs/dbraw/zinc/48/38/63/757483863.db2.gz FXRZXBBIGXKOHE-UHFFFAOYSA-N 0 0 198.218 1.749 10 0 ADAERN CCC[C@@H](O)c1ccnn1CCOC 308517368 573214849 /nfs/dbraw/zinc/21/48/49/573214849.db2.gz FVCJKWVKBMQGPY-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN Nc1ncccc1C(=O)c1ccoc1 69946146 572611799 /nfs/dbraw/zinc/61/17/99/572611799.db2.gz CTAIIINQZZLVON-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN CCC[C@H](O)[C@H](COC)C1CC1 212525687 573216683 /nfs/dbraw/zinc/21/66/83/573216683.db2.gz RBEKCSPPACPKRD-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN CCOC[C@@H](C)OC(=O)[C@@H]1C[C@@H]1C 308316388 573216684 /nfs/dbraw/zinc/21/66/84/573216684.db2.gz XEZNKKCOLCLPMT-DJLDLDEBSA-N 0 0 186.251 1.611 10 0 ADAERN CC(C)[S@@](=O)[C@H]1CCC(=O)C1 82821658 573216685 /nfs/dbraw/zinc/21/66/85/573216685.db2.gz JEGXPYPPRYMIEC-KWQFWETISA-N 0 0 174.265 1.265 10 0 ADAERN CCCn1cnc2coc(C=O)c21 74306539 572611816 /nfs/dbraw/zinc/61/18/16/572611816.db2.gz CMUSSHPWFVHQEZ-UHFFFAOYSA-N 0 0 178.191 1.852 10 0 ADAERN C[C@H](O)[C@H]1CCCC(C)(C)C1=O 140825886 572611822 /nfs/dbraw/zinc/61/18/22/572611822.db2.gz IUELXWOOZXBAGE-JGVFFNPUSA-N 0 0 170.252 1.763 10 0 ADAERN O=Cc1cc2c(o1)[C@@H](C1CC1)CO2 74306631 572611840 /nfs/dbraw/zinc/61/18/40/572611840.db2.gz XCATWYXXILOREI-MRVPVSSYSA-N 0 0 178.187 1.978 10 0 ADAERN COCC(=O)OCc1cccc(F)c1 753393451 757485688 /nfs/dbraw/zinc/48/56/88/757485688.db2.gz HSZQHPXYMXVGDZ-UHFFFAOYSA-N 0 0 198.193 1.515 10 0 ADAERN OC[C@@H]1CCc2ccc(O)cc2O1 140874508 572611859 /nfs/dbraw/zinc/61/18/59/572611859.db2.gz XCHCBXFWTGGNOZ-VIFPVBQESA-N 0 0 180.203 1.078 10 0 ADAERN Cc1cc(-c2oncc2C=O)no1 74306714 572611862 /nfs/dbraw/zinc/61/18/62/572611862.db2.gz BVOOCVPDRVOIOO-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CC[C@@H]1[C@H](C)C[C@@H](C(=O)[O-])[N@@H+]1C 251703970 572611889 /nfs/dbraw/zinc/61/18/89/572611889.db2.gz QURUQUPHONVUCD-PRJMDXOYSA-N 0 0 171.240 1.190 10 0 ADAERN Cc1nn(C)cc1NC(=O)C1(C)CC1 760564406 757486499 /nfs/dbraw/zinc/48/64/99/757486499.db2.gz WWGNQYQRAXPWOU-UHFFFAOYSA-N 0 0 193.250 1.467 10 0 ADAERN C[C@@H](O)[C@H]1CCCC(C)(C)C1=O 140826067 572611897 /nfs/dbraw/zinc/61/18/97/572611897.db2.gz IUELXWOOZXBAGE-HTQZYQBOSA-N 0 0 170.252 1.763 10 0 ADAERN Cn1cnc(C(F)(F)F)c1C=O 74306775 572611902 /nfs/dbraw/zinc/61/19/02/572611902.db2.gz PUFZGCITIVJVRU-UHFFFAOYSA-N 0 0 178.113 1.251 10 0 ADAERN CC1(C(=O)OCc2cnccn2)CC1 760557429 757487658 /nfs/dbraw/zinc/48/76/58/757487658.db2.gz HXDMTZUNEQTBCL-UHFFFAOYSA-N 0 0 192.218 1.320 10 0 ADAERN Nc1cncnc1-c1ccsn1 74306205 572611939 /nfs/dbraw/zinc/61/19/39/572611939.db2.gz OYDTUSDVKBJRKQ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCCc1ccc([C@H]([NH3+])C(=O)[O-])cc1 72191092 572611941 /nfs/dbraw/zinc/61/19/41/572611941.db2.gz KTGRFSZWSRRBJE-JTQLQIEISA-N 0 0 193.246 1.724 10 0 ADAERN Cc1conc1-c1cc(C=O)no1 74306761 572611946 /nfs/dbraw/zinc/61/19/46/572611946.db2.gz HDKGYEAZNONSJU-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CC[C@H](C)CN(C)C(=O)NCCF 308311308 573229275 /nfs/dbraw/zinc/22/92/75/573229275.db2.gz RPLINNMWWPAZRE-QMMMGPOBSA-N 0 0 190.262 1.643 10 0 ADAERN Nc1ccsc1-c1cncnc1 74307134 572611953 /nfs/dbraw/zinc/61/19/53/572611953.db2.gz PDTZLYYZBLXJGD-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1cccc(C2=NO[C@@H](C[NH3+])C2)c1 69978102 572619885 /nfs/dbraw/zinc/61/98/85/572619885.db2.gz NVYKBLWMXUQMRL-SNVBAGLBSA-N 0 0 190.246 1.447 10 0 ADAERN CSCCC(=O)[C@H]1CCCO1 69984210 572619906 /nfs/dbraw/zinc/61/99/06/572619906.db2.gz XROZNLJLDARKKR-MRVPVSSYSA-N 0 0 174.265 1.488 10 0 ADAERN C/C=C/COC(=O)c1cnn(CC)n1 815429448 757496128 /nfs/dbraw/zinc/49/61/28/757496128.db2.gz XUKQJXOVZKEPDS-HWKANZROSA-N 0 0 195.222 1.031 10 0 ADAERN CC[C@@H](CO)Cc1cc(C)nn1C 85041179 572632966 /nfs/dbraw/zinc/63/29/66/572632966.db2.gz ZDOANAZWKKLLFN-SECBINFHSA-N 0 0 182.267 1.290 10 0 ADAERN Cc1ccnc(-c2n[nH]cc2N)c1 74309190 572635335 /nfs/dbraw/zinc/63/53/35/572635335.db2.gz LONPIZCFXHLPMV-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cn1ccc(-c2nc(C=O)c[nH]2)c1 74308905 572635348 /nfs/dbraw/zinc/63/53/48/572635348.db2.gz KDLSLINNDFQHRK-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN C[C@@H](CCO)OC(=O)C(C)(C)C 238368842 572635369 /nfs/dbraw/zinc/63/53/69/572635369.db2.gz ZOAHNHAPDNVFRM-ZETCQYMHSA-N 0 0 174.240 1.347 10 0 ADAERN Nc1nccc(Cc2ccco2)n1 74308840 572635374 /nfs/dbraw/zinc/63/53/74/572635374.db2.gz SSFOIKAPDQOCMG-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN O=Cc1n[nH]c2c1[C@H](F)CCC2 258488425 573236153 /nfs/dbraw/zinc/23/61/53/573236153.db2.gz JVLMTKHFQQZHDK-RXMQYKEDSA-N 0 0 168.171 1.569 10 0 ADAERN O=C1CCSC2(CSC2)C1 74309027 572635389 /nfs/dbraw/zinc/63/53/89/572635389.db2.gz XMLASJRITUBHCQ-UHFFFAOYSA-N 0 0 174.290 1.568 10 0 ADAERN Cc1nccc(-c2cc(N)c[nH]2)n1 74309235 572635411 /nfs/dbraw/zinc/63/54/11/572635411.db2.gz WRTVOWWLVMOJFH-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1ncc(N)c(-c2ccc[nH]2)n1 74309178 572635416 /nfs/dbraw/zinc/63/54/16/572635416.db2.gz RGPBLDQVJHJFIF-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1nccnc1-c1cc(N)c[nH]1 74309238 572635419 /nfs/dbraw/zinc/63/54/19/572635419.db2.gz ADAXZYDUSNCZES-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CN(c1cccc(N)c1)[C@@H]1CCOC1 70072258 572635438 /nfs/dbraw/zinc/63/54/38/572635438.db2.gz FQRZZXGOMWBIGU-LLVKDONJSA-N 0 0 192.262 1.494 10 0 ADAERN Cc1cc[nH]c1-c1cnncc1N 74309161 572635440 /nfs/dbraw/zinc/63/54/40/572635440.db2.gz FOHFOFHPCWPPJH-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1cc(N)nn1[C@H]1CCSC1 405272431 572639315 /nfs/dbraw/zinc/63/93/15/572639315.db2.gz PHXINERSWHPRRM-ZETCQYMHSA-N 0 0 183.280 1.452 10 0 ADAERN CCCCOC(=O)c1cnn(CC)n1 815428125 757495365 /nfs/dbraw/zinc/49/53/65/757495365.db2.gz YOFASDFIJIZOMB-UHFFFAOYSA-N 0 0 197.238 1.255 10 0 ADAERN CC[C@@H](C)OC(=O)c1cnn(CC)n1 815427535 757495446 /nfs/dbraw/zinc/49/54/46/757495446.db2.gz BFHIBODZCWBDAD-SSDOTTSWSA-N 0 0 197.238 1.253 10 0 ADAERN COc1c(CCO)cccc1SC 258242927 573236176 /nfs/dbraw/zinc/23/61/76/573236176.db2.gz WXYWGRCROJDVRK-UHFFFAOYSA-N 0 0 198.287 1.952 10 0 ADAERN Cc1c(N)cnn1-c1ccccn1 48218393 572639380 /nfs/dbraw/zinc/63/93/80/572639380.db2.gz DXBSZBVPFUUUCC-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C/C=C\COC(=O)c1cnn(CC)n1 815429449 757495677 /nfs/dbraw/zinc/49/56/77/757495677.db2.gz XUKQJXOVZKEPDS-HYXAFXHYSA-N 0 0 195.222 1.031 10 0 ADAERN CC[C@H](C)OC(=O)c1cnn(CC)n1 815427536 757495763 /nfs/dbraw/zinc/49/57/63/757495763.db2.gz BFHIBODZCWBDAD-ZETCQYMHSA-N 0 0 197.238 1.253 10 0 ADAERN CCn1ncc(C(=O)OCC(C)C)n1 815428133 757496526 /nfs/dbraw/zinc/49/65/26/757496526.db2.gz YWKAVUMUIDGOSQ-UHFFFAOYSA-N 0 0 197.238 1.111 10 0 ADAERN FCCN1CC[C@@H](OC(F)F)C1 308083820 572639428 /nfs/dbraw/zinc/63/94/28/572639428.db2.gz LRGLZWJLBRXTFW-ZCFIWIBFSA-N 0 0 183.173 1.269 10 0 ADAERN C=C[C@](N)(OC)c1cccc(C=O)c1 238376538 572639429 /nfs/dbraw/zinc/63/94/29/572639429.db2.gz YZNOJJGDEIKNLI-NSHDSACASA-N 0 0 191.230 1.443 10 0 ADAERN CC[C@H]1C[C@H](NC(=O)OC)CCO1 817641583 757496895 /nfs/dbraw/zinc/49/68/95/757496895.db2.gz YKCUEFAXGYRVTJ-SFYZADRCSA-N 0 0 187.239 1.300 10 0 ADAERN CC[C@H]1C[C@@H](NC(=O)OC)CCO1 817641584 757497003 /nfs/dbraw/zinc/49/70/03/757497003.db2.gz YKCUEFAXGYRVTJ-YUMQZZPRSA-N 0 0 187.239 1.300 10 0 ADAERN CC[C@@H]1C[C@@H](NC(=O)OC)CCO1 817641582 757497617 /nfs/dbraw/zinc/49/76/17/757497617.db2.gz YKCUEFAXGYRVTJ-JGVFFNPUSA-N 0 0 187.239 1.300 10 0 ADAERN CC[C@@H]1C[C@H](NC(=O)OC)CCO1 817641581 757497766 /nfs/dbraw/zinc/49/77/66/757497766.db2.gz YKCUEFAXGYRVTJ-HTQZYQBOSA-N 0 0 187.239 1.300 10 0 ADAERN CO[C@H]1OCC[C@@H]1CCC(C)=O 238374076 572641321 /nfs/dbraw/zinc/64/13/21/572641321.db2.gz KAHQXKWVIIPTEQ-IUCAKERBSA-N 0 0 172.224 1.365 10 0 ADAERN CCON(CC)C(=O)[C@@H]1CC1(F)F 831453837 757499566 /nfs/dbraw/zinc/49/95/66/757499566.db2.gz CXBPGEWEVUIMMP-LURJTMIESA-N 0 0 193.193 1.442 10 0 ADAERN CC(C)(C)n1ncc2c1NCCC2 250366664 572641346 /nfs/dbraw/zinc/64/13/46/572641346.db2.gz PCKDZGLAZNGFLB-UHFFFAOYSA-N 0 0 179.267 1.996 10 0 ADAERN CCON(CC)C(=O)[C@@H]1CCC(=O)C1 831453785 757499749 /nfs/dbraw/zinc/49/97/49/757499749.db2.gz AZJGAMKQTAZWEP-MRVPVSSYSA-N 0 0 199.250 1.156 10 0 ADAERN CCON(CC)C(=O)[C@H]1CC1(F)F 831453838 757499776 /nfs/dbraw/zinc/49/97/76/757499776.db2.gz CXBPGEWEVUIMMP-ZCFIWIBFSA-N 0 0 193.193 1.442 10 0 ADAERN Cc1cn([C@H]2CCSC2)nc1N 405251488 572641358 /nfs/dbraw/zinc/64/13/58/572641358.db2.gz DBMOGYDIDNDSNN-ZETCQYMHSA-N 0 0 183.280 1.452 10 0 ADAERN CCON(CC)C(=O)[C@@H]1C[C@H]1CC 831453810 757500145 /nfs/dbraw/zinc/50/01/45/757500145.db2.gz CKNZAZIXVQTXSW-RKDXNWHRSA-N 0 0 185.267 1.833 10 0 ADAERN CCON(CC)C(=O)[C@H]1CCC(=O)C1 831453786 757500115 /nfs/dbraw/zinc/50/01/15/757500115.db2.gz AZJGAMKQTAZWEP-QMMMGPOBSA-N 0 0 199.250 1.156 10 0 ADAERN C[C@](O)(C[NH2+]C1CC1)c1ccco1 85078305 572651803 /nfs/dbraw/zinc/65/18/03/572651803.db2.gz JECASWVYYIEMLV-JTQLQIEISA-N 0 0 181.235 1.239 10 0 ADAERN O[C@@H](CSc1ccccn1)C1CC1 840736138 757500815 /nfs/dbraw/zinc/50/08/15/757500815.db2.gz OLWXULYUIQEOQM-VIFPVBQESA-N 0 0 195.287 1.945 10 0 ADAERN O[C@H](CSc1ccccn1)C1CC1 840736136 757500892 /nfs/dbraw/zinc/50/08/92/757500892.db2.gz OLWXULYUIQEOQM-SECBINFHSA-N 0 0 195.287 1.945 10 0 ADAERN O[C@@H](CSc1ncccn1)C1CC1 840735738 757500917 /nfs/dbraw/zinc/50/09/17/757500917.db2.gz MIWNCQRWCCLZEV-QMMMGPOBSA-N 0 0 196.275 1.340 10 0 ADAERN O[C@H](CSc1ncccn1)C1CC1 840735735 757500946 /nfs/dbraw/zinc/50/09/46/757500946.db2.gz MIWNCQRWCCLZEV-MRVPVSSYSA-N 0 0 196.275 1.340 10 0 ADAERN Cn1ccnc1SC[C@H](O)C1CC1 840734857 757501113 /nfs/dbraw/zinc/50/11/13/757501113.db2.gz FRDJBVQPMHHNNF-QMMMGPOBSA-N 0 0 198.291 1.283 10 0 ADAERN C[Si](C)(C)CCOCO 196908519 572651839 /nfs/dbraw/zinc/65/18/39/572651839.db2.gz YKYLZRXGHLQHQY-UHFFFAOYSA-N 0 0 148.278 1.291 10 0 ADAERN Cc1nc2c(o1)C[C@@H](CO)CC2 74336524 572659624 /nfs/dbraw/zinc/65/96/24/572659624.db2.gz JMFLGCZCOSMALK-ZETCQYMHSA-N 0 0 167.208 1.080 10 0 ADAERN CCO/C=C/C=C/CO 238315049 573241989 /nfs/dbraw/zinc/24/19/89/573241989.db2.gz MNUOHUROLDUNJD-BDWKERMESA-N 0 0 128.171 1.085 10 0 ADAERN CO[C@@H](CNC(C)=O)c1cccs1 238381534 572659693 /nfs/dbraw/zinc/65/96/93/572659693.db2.gz DTPZEJYULSQQKK-QMMMGPOBSA-N 0 0 199.275 1.572 10 0 ADAERN COc1ccc(O)cc1COC(C)=O 238382426 572659697 /nfs/dbraw/zinc/65/96/97/572659697.db2.gz YUIMDZVJKJUAEY-UHFFFAOYSA-N 0 0 196.202 1.464 10 0 ADAERN O=C([C@@H]1C[C@@H]2C[C@@H]2C1)N1CC2(CC2)C1 854686429 757506010 /nfs/dbraw/zinc/50/60/10/757506010.db2.gz WUHBBTXDTYJPIF-MYJAWHEDSA-N 0 0 191.274 1.655 10 0 ADAERN COCCc1cn2c(n1)CCCC2 258612715 573251513 /nfs/dbraw/zinc/25/15/13/573251513.db2.gz VWEVRJXAMSKUDE-UHFFFAOYSA-N 0 0 180.251 1.408 10 0 ADAERN Nc1occ2nc(C=O)sc12 74334697 572660514 /nfs/dbraw/zinc/66/05/14/572660514.db2.gz OHLIMVHKLZYMFJ-UHFFFAOYSA-N 0 0 168.177 1.284 10 0 ADAERN Nc1occ2sc(C=O)nc12 74334712 572660526 /nfs/dbraw/zinc/66/05/26/572660526.db2.gz BGKZSOFGZKHTGT-UHFFFAOYSA-N 0 0 168.177 1.284 10 0 ADAERN CN1CCc2csc(C=O)c21 74335803 572660573 /nfs/dbraw/zinc/66/05/73/572660573.db2.gz JOMAPMBDGXPROF-UHFFFAOYSA-N 0 0 167.233 1.553 10 0 ADAERN Cc1nc2c(o1)C[C@H](CO)CC2 74336520 572660576 /nfs/dbraw/zinc/66/05/76/572660576.db2.gz JMFLGCZCOSMALK-SSDOTTSWSA-N 0 0 167.208 1.080 10 0 ADAERN NC(=S)N[C@H]1C[C@@H]2CC[C@H]1C2 70206000 572660580 /nfs/dbraw/zinc/66/05/80/572660580.db2.gz HXTOTKHBSWGCMX-VQVTYTSYSA-N 0 0 170.281 1.008 10 0 ADAERN CC[S@](=N)(=O)N(C)C[C@H]1C[C@@H]1C 404591206 572662464 /nfs/dbraw/zinc/66/24/64/572662464.db2.gz RPHMOXCRTKGJFG-JOAULVNJSA-N 0 0 190.312 1.556 10 0 ADAERN Cc1sc2c(N)ncn2c1C 74335767 572662508 /nfs/dbraw/zinc/66/25/08/572662508.db2.gz YOGAGJVIHDVGIB-UHFFFAOYSA-N 0 0 167.237 1.595 10 0 ADAERN CC[C@H]1CC[N@H+](C)CC[C@H]1C(=O)[O-] 251932925 572662543 /nfs/dbraw/zinc/66/25/43/572662543.db2.gz ZLMKVWLJBCWFDO-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN 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/nfs/dbraw/zinc/51/98/46/757519846.db2.gz CMHIOBOPABMUCB-VIFPVBQESA-N 0 0 183.251 1.224 10 0 ADAERN OCCC[C@H]1C[C@H]2C[C@@H]1C[C@@H]2CO 116238038 572679172 /nfs/dbraw/zinc/67/91/72/572679172.db2.gz ZZKDHPNSVQFCPR-ZRUFSTJUSA-N 0 0 184.279 1.414 10 0 ADAERN CC(=O)CCNCC(F)(F)F 307868751 572679183 /nfs/dbraw/zinc/67/91/83/572679183.db2.gz KNFQNEBUGKPFIK-UHFFFAOYSA-N 0 0 169.146 1.117 10 0 ADAERN CCCCC/C=C/C(=O)NC 307865882 572679212 /nfs/dbraw/zinc/67/92/12/572679212.db2.gz RJVRRLKSGDLTGU-BQYQJAHWSA-N 0 0 155.241 1.869 10 0 ADAERN O=C1CCN[C@@H](c2cccc(O)c2)C1 209456944 572679217 /nfs/dbraw/zinc/67/92/17/572679217.db2.gz XLOURFRTEYUQMH-LLVKDONJSA-N 0 0 191.230 1.386 10 0 ADAERN CC(=O)C[C@H](C)n1cc(C(C)=O)cn1 308558805 573353214 /nfs/dbraw/zinc/35/32/14/573353214.db2.gz UTCVXTCMIJEHKA-ZETCQYMHSA-N 0 0 194.234 1.626 10 0 ADAERN Cc1nc(CCNC(=O)C(C)C)c[nH]1 74579667 573356927 /nfs/dbraw/zinc/35/69/27/573356927.db2.gz BCVHGSHYPALQFQ-UHFFFAOYSA-N 0 0 195.266 1.033 10 0 ADAERN FC(F)COCCn1cccc1 236147286 572679226 /nfs/dbraw/zinc/67/92/26/572679226.db2.gz RKVNOKUJIMQXBQ-UHFFFAOYSA-N 0 0 175.178 1.770 10 0 ADAERN O=C([O-])CCCC[NH2+][C@H]1CC=CCC1 236418151 572679228 /nfs/dbraw/zinc/67/92/28/572679228.db2.gz DPMGTYDVOZLIFM-JTQLQIEISA-N 0 0 197.278 1.940 10 0 ADAERN Cc1nc(-c2cc(F)ccc2N)n[nH]1 48630500 572679231 /nfs/dbraw/zinc/67/92/31/572679231.db2.gz DZRRPZQZQWWGGZ-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CON(C)C(=O)C[C@H]1CC=CCC1 885431974 757521610 /nfs/dbraw/zinc/52/16/10/757521610.db2.gz CXUXZWPFYSRCIA-VIFPVBQESA-N 0 0 183.251 1.753 10 0 ADAERN CCCOc1nnc(CNC)s1 87699088 572679233 /nfs/dbraw/zinc/67/92/33/572679233.db2.gz RKFRPOGEJWPELL-UHFFFAOYSA-N 0 0 187.268 1.046 10 0 ADAERN O=C(Cc1ccccc1)[C@H]1CCOC1 48627445 572679240 /nfs/dbraw/zinc/67/92/40/572679240.db2.gz YGJCEXBGNNRDRD-NSHDSACASA-N 0 0 190.242 1.835 10 0 ADAERN CC(=O)NC[C@]1(C)CCCCO1 885329080 757521859 /nfs/dbraw/zinc/52/18/59/757521859.db2.gz KCKVKQAZLDELKC-VIFPVBQESA-N 0 0 171.240 1.082 10 0 ADAERN 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171.240 1.405 10 0 ADAERN C=CC(=O)N1CC[C@@H](CC)[C@H]1C 952884968 757572690 /nfs/dbraw/zinc/57/26/90/757572690.db2.gz WEXRYYZTBSPGMF-RKDXNWHRSA-N 0 0 167.252 1.819 10 0 ADAERN C=CC(=O)N1[C@@H](C)CCC1(C)C 952878643 757572810 /nfs/dbraw/zinc/57/28/10/757572810.db2.gz CSKHDYHPTQEHMT-QMMMGPOBSA-N 0 0 167.252 1.962 10 0 ADAERN Cc1coc(Cc2coc(N)c2)n1 257564252 572794040 /nfs/dbraw/zinc/79/40/40/572794040.db2.gz DMLCKTFQBMVAGC-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Cc1n[nH]cc1Cc1ccc(N)s1 257563425 572794044 /nfs/dbraw/zinc/79/40/44/572794044.db2.gz BDRIZELULHHKKV-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN C[C@@H]1CCC[C@H](CN2CCNC2=O)C1 235340913 572794049 /nfs/dbraw/zinc/79/40/49/572794049.db2.gz BTWQGQBIONLPIC-ZJUUUORDSA-N 0 0 196.294 1.838 10 0 ADAERN Cc1n[nH]cc1Cc1coc(N)c1 257564329 572794066 /nfs/dbraw/zinc/79/40/66/572794066.db2.gz GYOCOWJPDCAUFW-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN Cc1conc1Cc1ccc(N)o1 257564715 572798025 /nfs/dbraw/zinc/79/80/25/572798025.db2.gz 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/nfs/dbraw/zinc/79/81/11/572798111.db2.gz UJEFDABFZHWJSZ-SSDOTTSWSA-N 0 0 197.234 1.766 10 0 ADAERN CCC(=O)[C@@H]1O[C@H]1[Si](C)(C)C 238227751 573969192 /nfs/dbraw/zinc/96/91/92/573969192.db2.gz CXDSGOFCKJCHER-YUMQZZPRSA-N 0 0 172.300 1.610 10 0 ADAERN CC[C@H](C)OC(=O)C1(O)CCC1 307944984 572811267 /nfs/dbraw/zinc/81/12/67/572811267.db2.gz HRNJCXBVCJKOSJ-ZETCQYMHSA-N 0 0 172.224 1.243 10 0 ADAERN CCC(CC)(C(=O)[O-])[C@@H]([NH3+])C(C)C 308139240 572811269 /nfs/dbraw/zinc/81/12/69/572811269.db2.gz RBMFZAYQNCRFNF-QMMMGPOBSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@H]1C[C@H]1C(=O)OCCCCF 307945041 572811310 /nfs/dbraw/zinc/81/13/10/572811310.db2.gz HWHKHCXYOKQTDQ-JGVFFNPUSA-N 0 0 174.215 1.935 10 0 ADAERN Cc1ccccc1-c1cnc(=O)[nH]c1 49806047 572811316 /nfs/dbraw/zinc/81/13/16/572811316.db2.gz IFFPXCKEASRDLZ-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN C[C@H]1CO[C@@H](O)C(C)(C)C1 196700267 572811326 /nfs/dbraw/zinc/81/13/26/572811326.db2.gz XUJNIXXXFHGACG-RNFRBKRXSA-N 0 0 144.214 1.387 10 0 ADAERN 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189.617 1.912 10 0 ADAERN OC[C@@H]1CNc2c(Cl)cccc21 71486795 572828710 /nfs/dbraw/zinc/82/87/10/572828710.db2.gz QONCXQISPJAYSA-LURJTMIESA-N 0 0 183.638 1.841 10 0 ADAERN CCn1cncc1[C@H]1N[C@@H](C)CS1 85309767 574031539 /nfs/dbraw/zinc/03/15/39/574031539.db2.gz SIZGFKHADCVPAQ-CBAPKCEASA-N 0 0 197.307 1.627 10 0 ADAERN OC[C@@H]1CNc2cc(Cl)ccc21 71486766 572828725 /nfs/dbraw/zinc/82/87/25/572828725.db2.gz ZTMCFSSHLHNIHD-LURJTMIESA-N 0 0 183.638 1.841 10 0 ADAERN CNc1ccc(NCCOC)cc1 259285585 574031543 /nfs/dbraw/zinc/03/15/43/574031543.db2.gz OPCQWJLQCCQNOH-UHFFFAOYSA-N 0 0 180.251 1.787 10 0 ADAERN CC(C)(C)c1ccc(NC(N)=O)nn1 1116287408 757585855 /nfs/dbraw/zinc/58/58/55/757585855.db2.gz IAFSNTSAFWFNGH-UHFFFAOYSA-N 0 0 194.238 1.265 10 0 ADAERN O=Cc1cn(CCCC(F)F)nn1 687931833 572830396 /nfs/dbraw/zinc/83/03/96/572830396.db2.gz HFAGOEXAQFXPRH-UHFFFAOYSA-N 0 0 189.165 1.136 10 0 ADAERN C[C@H]1COc2cccc(CO)c2N1 259286713 574031552 /nfs/dbraw/zinc/03/15/52/574031552.db2.gz 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/nfs/dbraw/zinc/83/09/98/572830998.db2.gz VRFCPECZFUBNHM-GBSWACPJSA-N 0 0 172.224 1.075 10 0 ADAERN CC[C@@H](C)COC(=O)C1COC1 307953079 572831002 /nfs/dbraw/zinc/83/10/02/572831002.db2.gz PNOYLIKYEOTHRZ-SSDOTTSWSA-N 0 0 172.224 1.222 10 0 ADAERN COC(=O)/C=C/C=C\C[C@@H](C)O 307952344 572831021 /nfs/dbraw/zinc/83/10/21/572831021.db2.gz VOFUNAIXXYFZAG-JRZGZVMFSA-N 0 0 170.208 1.043 10 0 ADAERN [NH3+]C[C@@](CC1CCC1)(C(=O)[O-])C1CC1 236244521 572831049 /nfs/dbraw/zinc/83/10/49/572831049.db2.gz IOAFJVSSFIJNNM-LLVKDONJSA-N 0 0 197.278 1.616 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)Cc1ccsc1 236554220 572831052 /nfs/dbraw/zinc/83/10/52/572831052.db2.gz DLLBTFLWOVHXQN-ZJUUUORDSA-N 0 0 198.287 1.422 10 0 ADAERN CC(C)(C)c1oc2c(c1C[NH3+])C[NH2+]C2 214773726 572831055 /nfs/dbraw/zinc/83/10/55/572831055.db2.gz MHQQCYNZJOCPRF-UHFFFAOYSA-N 0 0 194.278 1.639 10 0 ADAERN O=Cc1ccc(-c2cc[nH]c2)nn1 71496724 572831073 /nfs/dbraw/zinc/83/10/73/572831073.db2.gz HHSODZBTNHUJQJ-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN O[C@H](Cc1ccccc1)[C@H](O)C1CC1 236539456 572831085 /nfs/dbraw/zinc/83/10/85/572831085.db2.gz SSTIPPCMZSITCO-VXGBXAGGSA-N 0 0 192.258 1.361 10 0 ADAERN Cc1cccc(F)c1C(=O)OCCO 1116254406 757591551 /nfs/dbraw/zinc/59/15/51/757591551.db2.gz PZDMRNUOXXBLFS-UHFFFAOYSA-N 0 0 198.193 1.283 10 0 ADAERN C[C@@H]1CN[C@H](c2ccccc2F)CO1 71506985 572839641 /nfs/dbraw/zinc/83/96/41/572839641.db2.gz OYLUIDXXZBNWAN-KCJUWKMLSA-N 0 0 195.237 1.875 10 0 ADAERN C/C=C\CCNC(=S)NC(C)C 307957268 572839646 /nfs/dbraw/zinc/83/96/46/572839646.db2.gz RZCTVZQSMUPCMA-PLNGDYQASA-N 0 0 186.324 1.825 10 0 ADAERN CC(=O)c1cc2ncoc2n1C 75393466 572839652 /nfs/dbraw/zinc/83/96/52/572839652.db2.gz UEHKDGOLDZGKAW-UHFFFAOYSA-N 0 0 164.164 1.369 10 0 ADAERN CCc1ccccc1O[C@@H](C)CNN 71506855 572839654 /nfs/dbraw/zinc/83/96/54/572839654.db2.gz GERYLFFXJWDMQR-VIFPVBQESA-N 0 0 194.278 1.480 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]1CC[N@@H+]2CCC[C@H]12 714349686 572839658 /nfs/dbraw/zinc/83/96/58/572839658.db2.gz JWCFMVKJAYEVSJ-IVZWLZJFSA-N 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RBCJDMUHPXSXHB-UHFFFAOYSA-N 0 0 162.196 1.103 10 0 ADAERN Nc1occ(C=O)c1-c1cc[nH]c1 75526012 572876015 /nfs/dbraw/zinc/87/60/15/572876015.db2.gz OCPPWNQAKQTCFJ-UHFFFAOYSA-N 0 0 176.175 1.669 10 0 ADAERN O=C(OC[C@@]1(F)CCOC1)C1CC1 308157349 572878907 /nfs/dbraw/zinc/87/89/07/572878907.db2.gz BSKGNQVOXMUWEE-SECBINFHSA-N 0 0 188.198 1.068 10 0 ADAERN CC[C@@H](C)OC(=O)c1csnn1 307971354 572878914 /nfs/dbraw/zinc/87/89/14/572878914.db2.gz HJXXTMHCINHSQJ-RXMQYKEDSA-N 0 0 186.236 1.493 10 0 ADAERN COCc1ccc(ON)cc1 75539972 572878933 /nfs/dbraw/zinc/87/89/33/572878933.db2.gz YXMNSIYFINKEFK-UHFFFAOYSA-N 0 0 153.181 1.086 10 0 ADAERN CCOCCC[C@H](O)[C@H]1C[C@H]1OC 689509540 572878950 /nfs/dbraw/zinc/87/89/50/572878950.db2.gz UXNZBDKPOQYNJT-KXUCPTDWSA-N 0 0 188.267 1.199 10 0 ADAERN NN[C@H](CCCCF)c1ccco1 308159437 572879654 /nfs/dbraw/zinc/87/96/54/572879654.db2.gz VVHHNPRRJQSYOV-MRVPVSSYSA-N 0 0 186.230 1.924 10 0 ADAERN C[N@@H+](C1CC1)[C@H](CO)c1ccncc1 77277046 572879658 /nfs/dbraw/zinc/87/96/58/572879658.db2.gz ITEYNWAJAWCBLA-LLVKDONJSA-N 0 0 192.262 1.209 10 0 ADAERN CC(C)[C@@H]1CNc2cn(C)cc2N1 75599919 572879688 /nfs/dbraw/zinc/87/96/88/572879688.db2.gz KAGLDXYAVNZIBK-QMMMGPOBSA-N 0 0 179.267 1.887 10 0 ADAERN C[N@@H+](C1CC1)[C@H](CO)c1cccnc1 77277040 572879810 /nfs/dbraw/zinc/87/98/10/572879810.db2.gz JOFJOYBRDOCECP-LLVKDONJSA-N 0 0 192.262 1.209 10 0 ADAERN CC[C@@H](C)[C@@](O)(C(=O)OC)C(C)C 86186251 572879816 /nfs/dbraw/zinc/87/98/16/572879816.db2.gz HZJLIAPUHYTDBX-PSASIEDQSA-N 0 0 188.267 1.593 10 0 ADAERN Nc1cnn(CCCc2ccc[nH]2)c1 77275446 572879819 /nfs/dbraw/zinc/87/98/19/572879819.db2.gz ZTZROAVMHBTIGK-UHFFFAOYSA-N 0 0 190.250 1.426 10 0 ADAERN CN1c2cc[nH]c2NC(=O)C1(C)C 75599226 572879870 /nfs/dbraw/zinc/87/98/70/572879870.db2.gz ZXDMGHMZMDJKGP-UHFFFAOYSA-N 0 0 179.223 1.182 10 0 ADAERN CC(C)(CF)NC(=O)/C=C\C1CC1 308160251 572879872 /nfs/dbraw/zinc/87/98/72/572879872.db2.gz UPPGYHBBBQKVGR-WAYWQWQTSA-N 0 0 185.242 1.817 10 0 ADAERN CC1(C)CNc2c[nH]cc2N1 75598309 572879876 /nfs/dbraw/zinc/87/98/76/572879876.db2.gz HRKUXOMCVZLRHE-UHFFFAOYSA-N 0 0 151.213 1.631 10 0 ADAERN C[C@@H]1CNc2ccn(C)c2N1 75599805 572879902 /nfs/dbraw/zinc/87/99/02/572879902.db2.gz KOODQYRDNGGDTG-ZCFIWIBFSA-N 0 0 151.213 1.251 10 0 ADAERN COc1nc(N)nc(C)c1CC(C)C 75598254 572879909 /nfs/dbraw/zinc/87/99/09/572879909.db2.gz JUXFZWOXRUSFRV-UHFFFAOYSA-N 0 0 195.266 1.574 10 0 ADAERN CC(=O)COC(=O)NC(C)(C)C 307970941 572879969 /nfs/dbraw/zinc/87/99/69/572879969.db2.gz XMNRNAOWMLWJLZ-UHFFFAOYSA-N 0 0 173.212 1.100 10 0 ADAERN COC[C@H](C)Oc1ccc(N)nc1 307973333 572895495 /nfs/dbraw/zinc/89/54/95/572895495.db2.gz ZXTRYCQTGIVFKU-ZETCQYMHSA-N 0 0 182.223 1.078 10 0 ADAERN C[C@H]1CN(C)c2occc2N1 75596891 572895500 /nfs/dbraw/zinc/89/55/00/572895500.db2.gz WJICAPRIWPFJDN-LURJTMIESA-N 0 0 152.197 1.530 10 0 ADAERN COC(=O)CCc1cc(C)c(C=O)[nH]1 75597770 572895502 /nfs/dbraw/zinc/89/55/02/572895502.db2.gz YECYZFUWKOSHOB-UHFFFAOYSA-N 0 0 195.218 1.241 10 0 ADAERN CCCC[C@@H]1O[C@H](OC)C=C[C@H]1O 308163397 572895503 /nfs/dbraw/zinc/89/55/03/572895503.db2.gz ORRPKMFHDILRKR-UTLUCORTSA-N 0 0 186.251 1.465 10 0 ADAERN CC(=O)N1CCSc2ccoc21 75597032 572895505 /nfs/dbraw/zinc/89/55/05/572895505.db2.gz LNOJTPGNFOKUGX-UHFFFAOYSA-N 0 0 183.232 1.738 10 0 ADAERN COC(C)(C)C(=O)OC1CCC1 307973357 572895531 /nfs/dbraw/zinc/89/55/31/572895531.db2.gz IPMVSYAFKAHVIZ-UHFFFAOYSA-N 0 0 172.224 1.507 10 0 ADAERN CCOC(=O)C/C=C/OC(C)=O 307973204 572895535 /nfs/dbraw/zinc/89/55/35/572895535.db2.gz BIYHFDWODFSWQJ-GQCTYLIASA-N 0 0 172.180 1.016 10 0 ADAERN CC1(C)CNc2occc2N1 75596637 572895537 /nfs/dbraw/zinc/89/55/37/572895537.db2.gz MCNNGNGMNLAMHW-UHFFFAOYSA-N 0 0 152.197 1.896 10 0 ADAERN CC1(C)CNc2occc2O1 75596449 572895540 /nfs/dbraw/zinc/89/55/40/572895540.db2.gz XDKHBCAIEFNRJY-UHFFFAOYSA-N 0 0 153.181 1.863 10 0 ADAERN CCO[C@@H](C)OC[C@@H](C)[C@@H](O)CC 308163226 572895554 /nfs/dbraw/zinc/89/55/54/572895554.db2.gz OARKBBURLRKGSK-BBBLOLIVSA-N 0 0 190.283 1.793 10 0 ADAERN CCn1nc2cc(O)ccc2c1N 250446639 572895559 /nfs/dbraw/zinc/89/55/59/572895559.db2.gz IBJMJIHNTPAKTA-UHFFFAOYSA-N 0 0 177.207 1.344 10 0 ADAERN Cc1c(C(=O)[O-])oc2c1[C@H]([NH3+])CC2 75656670 572895568 /nfs/dbraw/zinc/89/55/68/572895568.db2.gz FFMCNFXMCZEWPM-RXMQYKEDSA-N 0 0 181.191 1.232 10 0 ADAERN CC(C)[C@H]1C(=O)Nc2c[nH]cc2N1C 75597492 572895583 /nfs/dbraw/zinc/89/55/83/572895583.db2.gz BEEQQMXZCVDKLE-VIFPVBQESA-N 0 0 193.250 1.428 10 0 ADAERN CCC1(C(=O)Cc2ncc[nH]2)CC1 308164485 572895584 /nfs/dbraw/zinc/89/55/84/572895584.db2.gz YPJQROINSIOWDR-UHFFFAOYSA-N 0 0 178.235 1.712 10 0 ADAERN CC(C)c1ncc2c(=O)[nH]ccn12 75839096 572902359 /nfs/dbraw/zinc/90/23/59/572902359.db2.gz VQCHBDGFPATFCG-UHFFFAOYSA-N 0 0 177.207 1.146 10 0 ADAERN CN(C)c1cccc(-n2ccnc2)c1 75838456 572902382 /nfs/dbraw/zinc/90/23/82/572902382.db2.gz INXGLSWOVYISGU-UHFFFAOYSA-N 0 0 187.246 1.938 10 0 ADAERN COC(=O)/C=C\[C@H](C)CCCCO 308173884 572902396 /nfs/dbraw/zinc/90/23/96/572902396.db2.gz YJHFYLWDRBIVRF-ATJFRQLMSA-N 0 0 186.251 1.514 10 0 ADAERN Cc1nnc2n(C)c3ccccc3n12 75838711 572902399 /nfs/dbraw/zinc/90/23/99/572902399.db2.gz WZDJXLVWOJWJEU-UHFFFAOYSA-N 0 0 186.218 1.529 10 0 ADAERN Cc1nnc(C(C)C)n1C 75839135 572902407 /nfs/dbraw/zinc/90/24/07/572902407.db2.gz MKJBNVQUEYURRQ-UHFFFAOYSA-N 0 0 139.202 1.247 10 0 ADAERN C/C(=C/C[C@H]1COC(C)(C)O1)CO 308182954 572914009 /nfs/dbraw/zinc/91/40/09/572914009.db2.gz DNCMANOZBVPVJV-OTOXVQDCSA-N 0 0 186.251 1.467 10 0 ADAERN COc1cnn([C@@H](C)CC(C)=O)c1 308186083 572914025 /nfs/dbraw/zinc/91/40/25/572914025.db2.gz JUPMQNSEIPVORN-ZETCQYMHSA-N 0 0 182.223 1.432 10 0 ADAERN Nc1ccc([C@H]2CCC[S@](=O)C2)o1 257629994 572914049 /nfs/dbraw/zinc/91/40/49/572914049.db2.gz KUTGFDFWDDGCIL-CPFSXVBKSA-N 0 0 199.275 1.488 10 0 ADAERN COc1cnn([C@@H](C)CC(N)=S)c1 308182940 572914086 /nfs/dbraw/zinc/91/40/86/572914086.db2.gz IGYKRWUEKAKLNZ-LURJTMIESA-N 0 0 199.279 1.129 10 0 ADAERN Cc1ccc(NC#N)nc1 72231186 572915900 /nfs/dbraw/zinc/91/59/00/572915900.db2.gz RDRGJDZBASWWGC-UHFFFAOYSA-N 0 0 133.154 1.283 10 0 ADAERN CC1CN(C(=O)[C@H](C)n2cccc2)C1 1116939183 757619043 /nfs/dbraw/zinc/61/90/43/757619043.db2.gz HVXKXGDCCIMGPZ-JTQLQIEISA-N 0 0 192.262 1.527 10 0 ADAERN Cc1nnc([C@@H]2CCCCN2C)[nH]1 75907157 572915911 /nfs/dbraw/zinc/91/59/11/572915911.db2.gz HAJWGTHLKTXMOP-QMMMGPOBSA-N 0 0 180.255 1.270 10 0 ADAERN CC1=NO[C@@H]2CCCC(=O)[C@@H]12 196961997 572915914 /nfs/dbraw/zinc/91/59/14/572915914.db2.gz NBODKTMNCUABNT-HTQZYQBOSA-N 0 0 153.181 1.130 10 0 ADAERN CCC(CC)n1ccc(CON)n1 86335326 572915953 /nfs/dbraw/zinc/91/59/53/572915953.db2.gz AMZGLFSSTQSVNO-UHFFFAOYSA-N 0 0 183.255 1.635 10 0 ADAERN C/C=C/C(C)=C/[C@H](C)[C@@H](O)CO 237996536 572915957 /nfs/dbraw/zinc/91/59/57/572915957.db2.gz NHLCFOJMYTWARO-LRVHANFSSA-N 0 0 170.252 1.498 10 0 ADAERN Cc1cc2c(cn1)CC2 72230784 572915962 /nfs/dbraw/zinc/91/59/62/572915962.db2.gz WZZHOZUKYYUPPO-UHFFFAOYSA-N 0 0 119.167 1.489 10 0 ADAERN COCC(=O)CCC1CCC1 86355894 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238191908 572979334 /nfs/dbraw/zinc/97/93/34/572979334.db2.gz VOWSBPNCRIWFEW-VUHVRTRXSA-N 0 0 174.240 1.060 10 0 ADAERN CCn1ccnc1CC(=O)[C@@H](C)OC 86751217 572979336 /nfs/dbraw/zinc/97/93/36/572979336.db2.gz QBHBLOFQCALIIU-MRVPVSSYSA-N 0 0 196.250 1.050 10 0 ADAERN CCCn1ccnc1CCC[C@H](C)O 86754426 572979344 /nfs/dbraw/zinc/97/93/44/572979344.db2.gz QVNGAWFZOJRPQV-JTQLQIEISA-N 0 0 196.294 1.997 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C)C[C@@H]1C 51733348 572979353 /nfs/dbraw/zinc/97/93/53/572979353.db2.gz SNGBUGXICUEMSX-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN CCO[C@@H](C)OC[C@H](C)CO 196583749 572979615 /nfs/dbraw/zinc/97/96/15/572979615.db2.gz QQMLYFZIFMQTAR-HTQZYQBOSA-N 0 0 162.229 1.014 10 0 ADAERN CN(C)c1ccc2c(CO)c[nH]c2c1 59731700 572979625 /nfs/dbraw/zinc/97/96/25/572979625.db2.gz RYUHKDORTFYXLM-UHFFFAOYSA-N 0 0 190.246 1.726 10 0 ADAERN COc1ccc2c(CO)cn(C)c2c1 59731796 572979627 /nfs/dbraw/zinc/97/96/27/572979627.db2.gz IINOPFDPZXQDFH-UHFFFAOYSA-N 0 0 191.230 1.679 10 0 ADAERN COC(=O)C1=C[C@@H](C)[C@@H]1C 196583272 572979643 /nfs/dbraw/zinc/97/96/43/572979643.db2.gz FTLVSCMZYSKIHQ-RITPCOANSA-N 0 0 140.182 1.372 10 0 ADAERN O=c1c2ccccc1CCC2 196583809 572979662 /nfs/dbraw/zinc/97/96/62/572979662.db2.gz XCJQVHPPCQVROU-UHFFFAOYSA-N 0 0 146.189 1.536 10 0 ADAERN CC(=O)OC[C@](C)(C(C)C)[C@H](C)O 238194512 572979672 /nfs/dbraw/zinc/97/96/72/572979672.db2.gz XCRKYPYTMFZSPT-WCBMZHEXSA-N 0 0 188.267 1.593 10 0 ADAERN CCC(C)(C)[C@H](N)C(=O)OC(C)C 238193750 572979676 /nfs/dbraw/zinc/97/96/76/572979676.db2.gz XMAHPHAYCBLLNM-MRVPVSSYSA-N 0 0 187.283 1.702 10 0 ADAERN CCC(CC)[C@H](O)[C@@H](C)CO 238192555 572979689 /nfs/dbraw/zinc/97/96/89/572979689.db2.gz OERSDUKBRLSEPJ-IONNQARKSA-N 0 0 160.257 1.412 10 0 ADAERN CC(=O)OC[C@](C)(C(C)C)[C@@H](C)O 238194490 572979712 /nfs/dbraw/zinc/97/97/12/572979712.db2.gz XCRKYPYTMFZSPT-PSASIEDQSA-N 0 0 188.267 1.593 10 0 ADAERN Cc1nnc([C@@]23C[C@@H]2COC3(C)C)o1 1118362393 757671913 /nfs/dbraw/zinc/67/19/13/757671913.db2.gz NLNCXVUPZLXHPJ-GMSGAONNSA-N 0 0 194.234 1.445 10 0 ADAERN CC(C)CNC(=O)C1(CF)CCC1 1118205618 757672228 /nfs/dbraw/zinc/67/22/28/757672228.db2.gz NZGGTBASWUOAAD-UHFFFAOYSA-N 0 0 187.258 1.898 10 0 ADAERN CCc1nc(N2CCCC2)cc(N)[nH+]1 87906138 572996023 /nfs/dbraw/zinc/99/60/23/572996023.db2.gz IRVYHGPSIFHFFC-UHFFFAOYSA-N 0 0 192.266 1.221 10 0 ADAERN C[C@H](O)COC(=O)C1(CF)CCC1 1118196417 757672650 /nfs/dbraw/zinc/67/26/50/757672650.db2.gz AWINBVJAMPWGAJ-ZETCQYMHSA-N 0 0 190.214 1.050 10 0 ADAERN O=C(NC1CC=CC1)C1(CF)CCC1 1118224607 757672684 /nfs/dbraw/zinc/67/26/84/757672684.db2.gz LDHJPZAQMBILJH-UHFFFAOYSA-N 0 0 197.253 1.961 10 0 ADAERN CC[C@@H]1C[C@H]1c1nnc(C)o1 1118362348 757672729 /nfs/dbraw/zinc/67/27/29/757672729.db2.gz LOQLJCSOKGMUDX-RNFRBKRXSA-N 0 0 152.197 1.892 10 0 ADAERN Nc1cc(-c2cc(O)ccc2O)no1 258205251 572996033 /nfs/dbraw/zinc/99/60/33/572996033.db2.gz YVBZVSWGNICWES-UHFFFAOYSA-N 0 0 192.174 1.335 10 0 ADAERN COc1ncccc1[C@H]([NH3+])C(C)C 104530406 572996041 /nfs/dbraw/zinc/99/60/41/572996041.db2.gz HDOQPJHMWREUAT-SECBINFHSA-N 0 0 180.251 1.746 10 0 ADAERN COc1cc2c(c([C@@H](C)O)c1)OCO2 258207573 572996052 /nfs/dbraw/zinc/99/60/52/572996052.db2.gz ZCHRMCYZLRIVQZ-ZCFIWIBFSA-N 0 0 196.202 1.477 10 0 ADAERN CCCCC1=C[C@H]1CO 238241496 572996069 /nfs/dbraw/zinc/99/60/69/572996069.db2.gz KQMCDMRZBUJRPH-QMMMGPOBSA-N 0 0 126.199 1.725 10 0 ADAERN CCOC(=O)c1ncc2ccoc2n1 259302303 572996071 /nfs/dbraw/zinc/99/60/71/572996071.db2.gz IRBGEVNRVJYZHY-UHFFFAOYSA-N 0 0 192.174 1.400 10 0 ADAERN CCn1oc(=O)c2cc(O)ccc21 257916730 572996076 /nfs/dbraw/zinc/99/60/76/572996076.db2.gz QYHLPAGSMKKFSE-UHFFFAOYSA-N 0 0 179.175 1.320 10 0 ADAERN CCC1=COCc2c1nc[nH]c2=O 238241424 572996082 /nfs/dbraw/zinc/99/60/82/572996082.db2.gz JGBPZEUTBUPXJM-UHFFFAOYSA-N 0 0 178.191 1.051 10 0 ADAERN CCCc1nc(C)cnc1NN 104532954 572996083 /nfs/dbraw/zinc/99/60/83/572996083.db2.gz FVUDYCXUFVLFFH-UHFFFAOYSA-N 0 0 166.228 1.023 10 0 ADAERN CCc1nnc(/C=C/[C@@H]2CCCO2)o1 1118364547 757674549 /nfs/dbraw/zinc/67/45/49/757674549.db2.gz JYPXRYFVDMTFOC-GJIOHYHPSA-N 0 0 194.234 1.824 10 0 ADAERN COC(=O)C1(CC2CCC2)COC1 259302414 572996103 /nfs/dbraw/zinc/99/61/03/572996103.db2.gz KEJFWCZQZIGOJM-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN Cc1nnc(-c2cn(C)nc2Cl)o1 1118363238 757674857 /nfs/dbraw/zinc/67/48/57/757674857.db2.gz YFPXTEKJUWILCI-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN Cc1nnc([C@@H]2CCOC[C@@H]2C)o1 1118363277 757674904 /nfs/dbraw/zinc/67/49/04/757674904.db2.gz ZGUKWOSPIQWEQO-POYBYMJQSA-N 0 0 182.223 1.518 10 0 ADAERN CC(C)[C@@H](O)COC(=O)/C=C/C1CC1 1118391559 757675165 /nfs/dbraw/zinc/67/51/65/757675165.db2.gz QEGDWUIBQDKSKV-PORFMDCZSA-N 0 0 198.262 1.513 10 0 ADAERN COc1ccc(F)c(NCCF)n1 1118398298 757675430 /nfs/dbraw/zinc/67/54/30/757675430.db2.gz UUKOULLCHOOLDD-UHFFFAOYSA-N 0 0 188.177 1.611 10 0 ADAERN CCNc1nc(C2CC2)[nH+]c(N)c1C 87917951 572996146 /nfs/dbraw/zinc/99/61/46/572996146.db2.gz HDTIQMLRJJAAAT-UHFFFAOYSA-N 0 0 192.266 1.676 10 0 ADAERN Cc1ncc(C)c(N[C@H]2C[C@@H](O)C2)n1 1118397475 757675713 /nfs/dbraw/zinc/67/57/13/757675713.db2.gz BCORZEPCBIYKHV-DTORHVGOSA-N 0 0 193.250 1.029 10 0 ADAERN C=C=CCNC(=O)[C@H]1CCC[C@@H](F)C1 1118379824 757676135 /nfs/dbraw/zinc/67/61/35/757676135.db2.gz UUUXJEWKZWFAKS-VHSXEESVSA-N 0 0 197.253 1.972 10 0 ADAERN Cc1nnc([C@H]2CCOC[C@@H]2C)o1 1118363279 757676283 /nfs/dbraw/zinc/67/62/83/757676283.db2.gz ZGUKWOSPIQWEQO-XPUUQOCRSA-N 0 0 182.223 1.518 10 0 ADAERN CCc1nnc(/C=C\[C@@H]2CCCO2)o1 1118364550 757676334 /nfs/dbraw/zinc/67/63/34/757676334.db2.gz JYPXRYFVDMTFOC-SLGIHZDVSA-N 0 0 194.234 1.824 10 0 ADAERN CC(C)[C@H](O)COC(=O)/C=C/C1CC1 1118391557 757676459 /nfs/dbraw/zinc/67/64/59/757676459.db2.gz QEGDWUIBQDKSKV-BRAIEQGRSA-N 0 0 198.262 1.513 10 0 ADAERN C=C=CCNC(=O)[C@H]1CCC[C@H](F)C1 1118379823 757676509 /nfs/dbraw/zinc/67/65/09/757676509.db2.gz UUUXJEWKZWFAKS-UWVGGRQHSA-N 0 0 197.253 1.972 10 0 ADAERN CCc1nnc(/C=C\[C@H]2CCCO2)o1 1118364549 757676643 /nfs/dbraw/zinc/67/66/43/757676643.db2.gz JYPXRYFVDMTFOC-RPSMYOMKSA-N 0 0 194.234 1.824 10 0 ADAERN COCCCC[C@H](O)C[C@H](C)OC 308218233 572998648 /nfs/dbraw/zinc/99/86/48/572998648.db2.gz NBUZNPXAXNUVAK-UWVGGRQHSA-N 0 0 190.283 1.589 10 0 ADAERN CCNc1cc(N)[nH+]c(CC)n1 87906207 572998655 /nfs/dbraw/zinc/99/86/55/572998655.db2.gz ZMYNVIRPXNFSPR-UHFFFAOYSA-N 0 0 166.228 1.053 10 0 ADAERN Cc1cnc(-c2ccco2)nc1NN 104545359 573001193 /nfs/dbraw/zinc/00/11/93/573001193.db2.gz DAPWMQDDRNMSEJ-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CC(C)[C@H](O)COC(=O)/C=C\C1CC1 1118391560 757677814 /nfs/dbraw/zinc/67/78/14/757677814.db2.gz QEGDWUIBQDKSKV-WWQCOOJYSA-N 0 0 198.262 1.513 10 0 ADAERN Cc1c(C)c(CO)c(C)c(CO)c1C 113329103 573001200 /nfs/dbraw/zinc/00/12/00/573001200.db2.gz VPIWTGVPMBRYQL-UHFFFAOYSA-N 0 0 194.274 1.905 10 0 ADAERN Cc1nnc([C@@H]2CCOC[C@H]2C)o1 1118363276 757677993 /nfs/dbraw/zinc/67/79/93/757677993.db2.gz ZGUKWOSPIQWEQO-HTRCEHHLSA-N 0 0 182.223 1.518 10 0 ADAERN CC(C)[C@@H](O)COC(=O)/C=C\C1CC1 1118391558 757678025 /nfs/dbraw/zinc/67/80/25/757678025.db2.gz QEGDWUIBQDKSKV-OMMCCPJFSA-N 0 0 198.262 1.513 10 0 ADAERN CCc1nnc(/C=C/[C@H]2CCCO2)o1 1118364548 757678498 /nfs/dbraw/zinc/67/84/98/757678498.db2.gz JYPXRYFVDMTFOC-HQZHTGGTSA-N 0 0 194.234 1.824 10 0 ADAERN NOCc1cc(Cl)cc(F)c1O 258209805 573001216 /nfs/dbraw/zinc/00/12/16/573001216.db2.gz ZGSSHBIWEANRLD-UHFFFAOYSA-N 0 0 191.589 1.575 10 0 ADAERN COc1cc(C(=O)CN)cc(C)c1F 258209639 573001238 /nfs/dbraw/zinc/00/12/38/573001238.db2.gz ZDJWJXGTPOEIDR-UHFFFAOYSA-N 0 0 197.209 1.284 10 0 ADAERN Cc1nnc([C@H]2CCOC[C@H]2C)o1 1118363278 757679154 /nfs/dbraw/zinc/67/91/54/757679154.db2.gz ZGUKWOSPIQWEQO-SVRRBLITSA-N 0 0 182.223 1.518 10 0 ADAERN C=C=CCNC(=O)[C@@H]1CCC[C@@H](F)C1 1118379822 757679267 /nfs/dbraw/zinc/67/92/67/757679267.db2.gz UUUXJEWKZWFAKS-NXEZZACHSA-N 0 0 197.253 1.972 10 0 ADAERN C=C=CCNC(=O)[C@@H]1CCC[C@H](F)C1 1118379825 757679698 /nfs/dbraw/zinc/67/96/98/757679698.db2.gz UUUXJEWKZWFAKS-ZJUUUORDSA-N 0 0 197.253 1.972 10 0 ADAERN c1cc2n[nH]cc2o1 113329396 573001269 /nfs/dbraw/zinc/00/12/69/573001269.db2.gz NXWGUROSVPLYQB-UHFFFAOYSA-N 0 0 108.100 1.156 10 0 ADAERN CCc1c(N)nn(C)c1C1CCC1 257919570 573001299 /nfs/dbraw/zinc/00/12/99/573001299.db2.gz RGPQGJXVSILSIN-UHFFFAOYSA-N 0 0 179.267 1.832 10 0 ADAERN CN(C)c1cc(C2(O)CC2)ccc1F 259303785 573001310 /nfs/dbraw/zinc/00/13/10/573001310.db2.gz CSGDZQJOMWGXBL-UHFFFAOYSA-N 0 0 195.237 1.873 10 0 ADAERN CSc1nc(C2CC2)nc(N)c1C 87918396 573001312 /nfs/dbraw/zinc/00/13/12/573001312.db2.gz FGFRZIWLQONFBU-UHFFFAOYSA-N 0 0 195.291 1.967 10 0 ADAERN CCCc1ccc([C@@H]2CNC(=O)C2)o1 238243934 573001326 /nfs/dbraw/zinc/00/13/26/573001326.db2.gz BDRIMIUVUDWSHE-QMMMGPOBSA-N 0 0 193.246 1.836 10 0 ADAERN CC[C@H](CC(C)C)[C@@H](O)CO 224287912 573001335 /nfs/dbraw/zinc/00/13/35/573001335.db2.gz GTVCRMPAMAKFAI-BDAKNGLRSA-N 0 0 160.257 1.412 10 0 ADAERN CC1=CC[C@@](O)(CCCO)CC1 223846562 573001372 /nfs/dbraw/zinc/00/13/72/573001372.db2.gz MWEBZEOMZHVOHN-JTQLQIEISA-N 0 0 170.252 1.620 10 0 ADAERN Cc1cc(F)c(C[C@@H](C)O)cc1O 258209829 573001374 /nfs/dbraw/zinc/00/13/74/573001374.db2.gz ZHRAPFRTCAJVDR-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN C[C@@H]1Cc2cccc(C=O)c2N1C 258212232 573001397 /nfs/dbraw/zinc/00/13/97/573001397.db2.gz VIPXMTSJOGVJDQ-MRVPVSSYSA-N 0 0 175.231 1.880 10 0 ADAERN COC(=O)[C@]1(C(C)C)CCCCN1 258209149 573001421 /nfs/dbraw/zinc/00/14/21/573001421.db2.gz QJIVFXWXDDLSLP-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN CSC(=O)c1cc(N)sn1 257918372 573001451 /nfs/dbraw/zinc/00/14/51/573001451.db2.gz NEPFBTOTCVNJQI-UHFFFAOYSA-N 0 0 174.250 1.229 10 0 ADAERN Cc1cc(O)cc(CCCO)c1F 258211990 573001460 /nfs/dbraw/zinc/00/14/60/573001460.db2.gz ZNXJKWSRSWCXKQ-UHFFFAOYSA-N 0 0 184.210 1.765 10 0 ADAERN OCC(=Cc1ccccc1)CO 113327082 573001464 /nfs/dbraw/zinc/00/14/64/573001464.db2.gz QXPXILGITKUCLM-UHFFFAOYSA-N 0 0 164.204 1.055 10 0 ADAERN CC(=O)[C@@H](C)CCOC(=O)[C@H]1C[C@@H]1C 1118458060 757684821 /nfs/dbraw/zinc/68/48/21/757684821.db2.gz YSXRVNCOVPPTSD-NRPADANISA-N 0 0 198.262 1.801 10 0 ADAERN CCOC(=O)C1[C@@H](C)C(=O)[C@@H]1C 238250886 573001469 /nfs/dbraw/zinc/00/14/69/573001469.db2.gz QWJJBXSPTRNLAG-PHDIDXHHSA-N 0 0 170.208 1.021 10 0 ADAERN CCC[C@@](O)(c1ncn(C)n1)C1CC1 714780442 573001471 /nfs/dbraw/zinc/00/14/71/573001471.db2.gz FVFGNBLFKHGEOW-JTQLQIEISA-N 0 0 195.266 1.213 10 0 ADAERN Cc1ccc2[nH]cccc-2c1=NN 104539989 573002745 /nfs/dbraw/zinc/00/27/45/573002745.db2.gz MZJYJXOPCDZQPL-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H]1[NH+]1CCCCCC1 87920178 573002749 /nfs/dbraw/zinc/00/27/49/573002749.db2.gz IYHBODINOYBJDA-UWVGGRQHSA-N 0 0 197.278 1.726 10 0 ADAERN CC1(C)Nc2c(N)cccc2OC1=O 259307229 573002753 /nfs/dbraw/zinc/00/27/53/573002753.db2.gz RBGNHKCIYYMTPP-UHFFFAOYSA-N 0 0 192.218 1.378 10 0 ADAERN Cc1ccoc1C[N@@H+](C)C(C)(C)CO 128353892 573002754 /nfs/dbraw/zinc/00/27/54/573002754.db2.gz KSIPHFYJAJVWKC-UHFFFAOYSA-N 0 0 197.278 1.791 10 0 ADAERN CCC1=N[C@](C)(CC)N[C@@H]1C 238243896 573002761 /nfs/dbraw/zinc/00/27/61/573002761.db2.gz JNAPNBGFMIGSDN-VXNVDRBHSA-N 0 0 154.257 1.955 10 0 ADAERN NNC(=S)Cc1ccccc1 104538268 573002762 /nfs/dbraw/zinc/00/27/62/573002762.db2.gz SQUPFOKOYWHVIT-UHFFFAOYSA-N 0 0 166.249 1.020 10 0 ADAERN O=C(OCCF)[C@@H]1CCC[C@@H]2C[C@@H]21 1118467289 757686169 /nfs/dbraw/zinc/68/61/69/757686169.db2.gz VKYBDEIILKNYJQ-HLTSFMKQSA-N 0 0 186.226 1.935 10 0 ADAERN CCN(CC)O[C@H]1C=C[C@H](O)CC1 308231757 573002785 /nfs/dbraw/zinc/00/27/85/573002785.db2.gz SZSIQIKFQRYHLU-UWVGGRQHSA-N 0 0 185.267 1.339 10 0 ADAERN CCN1CNC(=O)c2ccccc21 238244446 573002804 /nfs/dbraw/zinc/00/28/04/573002804.db2.gz RRJBMKFNSNNGJU-UHFFFAOYSA-N 0 0 176.219 1.214 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CC[C@@H]1C(=O)[O-] 87920186 573005979 /nfs/dbraw/zinc/00/59/79/573005979.db2.gz BPWGVKGBPMEQRZ-YUMQZZPRSA-N 0 0 171.240 1.190 10 0 ADAERN CCN(CC)O[C@@H]1C=C[C@H](O)CC1 308231758 573005989 /nfs/dbraw/zinc/00/59/89/573005989.db2.gz SZSIQIKFQRYHLU-VHSXEESVSA-N 0 0 185.267 1.339 10 0 ADAERN CNNCc1ccc(F)cc1 224316995 573006000 /nfs/dbraw/zinc/00/60/00/573006000.db2.gz XYJJJQJCGULDIU-UHFFFAOYSA-N 0 0 154.188 1.050 10 0 ADAERN C[C@@H](O)Cc1ccc(NC(N)=O)cc1 258215948 573006009 /nfs/dbraw/zinc/00/60/09/573006009.db2.gz ZXICFIJIMSPOMQ-SSDOTTSWSA-N 0 0 194.234 1.101 10 0 ADAERN CCOCc1ncc(OC)c(NC)n1 308473170 573006015 /nfs/dbraw/zinc/00/60/15/573006015.db2.gz JMAHYQXBUARORX-UHFFFAOYSA-N 0 0 197.238 1.063 10 0 ADAERN C[NH2+][C@@H](CCCC(C)C)C(=O)[O-] 224325103 573006021 /nfs/dbraw/zinc/00/60/21/573006021.db2.gz DGPVICVRLGFDHW-QMMMGPOBSA-N 0 0 173.256 1.485 10 0 ADAERN CC(C)S(=O)(=O)N1CC[C@H](C)C1 82367410 573006034 /nfs/dbraw/zinc/00/60/34/573006034.db2.gz SDGGDIWROQKZRA-QMMMGPOBSA-N 0 0 191.296 1.066 10 0 ADAERN C[C@@H]1CCN(C(=O)n2ccnc2)C1 82367622 573006060 /nfs/dbraw/zinc/00/60/60/573006060.db2.gz JQENTUJVDRYPSR-MRVPVSSYSA-N 0 0 179.223 1.193 10 0 ADAERN Nc1ccc2c(c1)[C@@H](O)CCO2 113435533 573006061 /nfs/dbraw/zinc/00/60/61/573006061.db2.gz NOCVKRDGLXZRKN-QMMMGPOBSA-N 0 0 165.192 1.085 10 0 ADAERN O=C1CC[C@@H](C2CCSCC2)N1 257922366 573006066 /nfs/dbraw/zinc/00/60/66/573006066.db2.gz RRKKDTQMRHIAFV-QMMMGPOBSA-N 0 0 185.292 1.408 10 0 ADAERN CCNc1nc(CC)[nH]c(=O)c1C 87918251 573006078 /nfs/dbraw/zinc/00/60/78/573006078.db2.gz FCFDTAJBVNJCHK-UHFFFAOYSA-N 0 0 181.239 1.073 10 0 ADAERN CO[C@@H](C)CNc1nc(C)ncc1C 1118535231 757689463 /nfs/dbraw/zinc/68/94/63/757689463.db2.gz FFQZDTWQQPWDHS-QMMMGPOBSA-N 0 0 195.266 1.540 10 0 ADAERN CCCc1nc(NC)c(C)c(=O)[nH]1 87918257 573006089 /nfs/dbraw/zinc/00/60/89/573006089.db2.gz IHENNRFJIZHBGE-UHFFFAOYSA-N 0 0 181.239 1.073 10 0 ADAERN C[C@@](O)(C(=O)OCCCF)C1CC1 308219779 573006105 /nfs/dbraw/zinc/00/61/05/573006105.db2.gz BQABSGXAWIERQL-VIFPVBQESA-N 0 0 190.214 1.050 10 0 ADAERN N#CNc1ncc(-c2ccc[nH]2)cn1 259306684 573006108 /nfs/dbraw/zinc/00/61/08/573006108.db2.gz OSXUJWDCPMBKIH-UHFFFAOYSA-N 0 0 185.190 1.365 10 0 ADAERN CC(C)C=C=O 113510881 573011232 /nfs/dbraw/zinc/01/12/32/573011232.db2.gz OXCVCJVUOYADBS-UHFFFAOYSA-N 0 0 84.118 1.030 10 0 ADAERN C[C@H]1Cc2ccc(C[C@@H](C)O)cc2N1 258218841 573011246 /nfs/dbraw/zinc/01/12/46/573011246.db2.gz VRMVSPLDRRLVTN-DTWKUNHWSA-N 0 0 191.274 1.966 10 0 ADAERN COc1c(F)c(F)cc(C=O)c1F 113541670 573011271 /nfs/dbraw/zinc/01/12/71/573011271.db2.gz DIZYRACQZPGHGP-UHFFFAOYSA-N 0 0 190.120 1.925 10 0 ADAERN C[C@@H](CC(=O)[O-])c1c[nH+]ccc1N 87925314 573011277 /nfs/dbraw/zinc/01/12/77/573011277.db2.gz XRJSUUPPRURIRP-LURJTMIESA-N 0 0 180.207 1.242 10 0 ADAERN O=C(OCCF)[C@@H]1CCC[C@H]2C[C@H]21 1118467285 757692952 /nfs/dbraw/zinc/69/29/52/757692952.db2.gz VKYBDEIILKNYJQ-DJLDLDEBSA-N 0 0 186.226 1.935 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](O)CC 308222255 573011298 /nfs/dbraw/zinc/01/12/98/573011298.db2.gz LRDPWCBETXTWFA-VGMNWLOBSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@@H]1[C@@H](C(N)=O)CC[C@H]1C 104563988 573011316 /nfs/dbraw/zinc/01/13/16/573011316.db2.gz KNTKPYACFQBXRT-VQVTYTSYSA-N 0 0 141.214 1.154 10 0 ADAERN COC(OC)c1ccc(O)c(C=O)c1 258219168 573011330 /nfs/dbraw/zinc/01/13/30/573011330.db2.gz YJGANRBAIIRIIR-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN CC[P@H](C)=O 113528811 573011339 /nfs/dbraw/zinc/01/13/39/573011339.db2.gz UFGGBJYMEZXRLU-UHFFFAOYSA-N 0 0 92.078 1.196 10 0 ADAERN COC(C)(C)[C@@H]1[C@@H](CO)[C@H]1C(C)C 308221598 573011351 /nfs/dbraw/zinc/01/13/51/573011351.db2.gz OLWYJAJHWWKPER-IVZWLZJFSA-N 0 0 186.295 1.922 10 0 ADAERN Cc1nc([C@H](C)CO)cs1 258217977 573011390 /nfs/dbraw/zinc/01/13/90/573011390.db2.gz UVOHZVPLJIAPNG-RXMQYKEDSA-N 0 0 157.238 1.547 10 0 ADAERN COC(=O)C[C@H](O)[C@H]1C[C@@H]1C(C)C 308222087 573011394 /nfs/dbraw/zinc/01/13/94/573011394.db2.gz OTDWQELKMWVRAR-VGMNWLOBSA-N 0 0 186.251 1.203 10 0 ADAERN Cc1noc([C@@H](N)COC(C)(C)C)n1 308474392 573011397 /nfs/dbraw/zinc/01/13/97/573011397.db2.gz KMRRVTFXQYCKSX-ZETCQYMHSA-N 0 0 199.254 1.193 10 0 ADAERN C[C@@](O)(CCO)C1=CCCCC1 196984425 573011400 /nfs/dbraw/zinc/01/14/00/573011400.db2.gz RCWMZNBXMJDPOY-SNVBAGLBSA-N 0 0 170.252 1.620 10 0 ADAERN CCc1ccc(CC(C)=O)nc1 82375448 573011408 /nfs/dbraw/zinc/01/14/08/573011408.db2.gz HYIIBAQPJBSQBG-UHFFFAOYSA-N 0 0 163.220 1.776 10 0 ADAERN C[C@H](O)c1nc([C@H]2C[C@@H]2C)no1 85396881 573011409 /nfs/dbraw/zinc/01/14/09/573011409.db2.gz YQSUVJOFLOAYBR-ZLUOBGJFSA-N 0 0 168.196 1.246 10 0 ADAERN COc1ccc(C(=O)SC)c(O)c1 196988210 573011419 /nfs/dbraw/zinc/01/14/19/573011419.db2.gz WUOOBMNWXYUTCR-UHFFFAOYSA-N 0 0 198.243 1.904 10 0 ADAERN CC1(C)Oc2ccc(NN)cc2O1 104564445 573011425 /nfs/dbraw/zinc/01/14/25/573011425.db2.gz PHHQYBZIDUULHM-UHFFFAOYSA-N 0 0 180.207 1.480 10 0 ADAERN C[C@@H](O)COC(=O)/C=C/C(C)(C)C 308220885 573011455 /nfs/dbraw/zinc/01/14/55/573011455.db2.gz CDZRUFFKLYHKFK-HQZHTGGTSA-N 0 0 186.251 1.513 10 0 ADAERN NN[C@H]1N=NCc2ccccc21 104559836 573011465 /nfs/dbraw/zinc/01/14/65/573011465.db2.gz VBHNQIVBHYRXDM-QMMMGPOBSA-N 0 0 162.196 1.114 10 0 ADAERN CSCC1=CN=C(C)S1(=O)=O 258220865 573011472 /nfs/dbraw/zinc/01/14/72/573011472.db2.gz PGZGHVFWMOHOCN-UHFFFAOYSA-N 0 0 191.277 1.038 10 0 ADAERN Nc1coc(NC2CCCC2)n1 257922897 573013127 /nfs/dbraw/zinc/01/31/27/573013127.db2.gz RPLHAJKRTCUOLF-UHFFFAOYSA-N 0 0 167.212 1.611 10 0 ADAERN C[C@H]1CC[C@@H](C)CN1c1n[nH]c(N)n1 85420679 573016225 /nfs/dbraw/zinc/01/62/25/573016225.db2.gz YJYPAPCJUFFYET-RQJHMYQMSA-N 0 0 195.270 1.012 10 0 ADAERN Nc1c[nH]c(Oc2cccnc2)n1 257924730 573016261 /nfs/dbraw/zinc/01/62/61/573016261.db2.gz SAHKNUBDKDXNBT-UHFFFAOYSA-N 0 0 176.179 1.179 10 0 ADAERN CC(C)(C)c1cc(C(=N)NO)on1 113639527 573016262 /nfs/dbraw/zinc/01/62/62/573016262.db2.gz UIYFIRLUMBFNBV-UHFFFAOYSA-N 0 0 183.211 1.276 10 0 ADAERN CCOC(=O)[C@H](C)Cc1ncco1 259595432 573016268 /nfs/dbraw/zinc/01/62/68/573016268.db2.gz CHHPUWYIUBXJRN-SSDOTTSWSA-N 0 0 183.207 1.416 10 0 ADAERN CCCCC[C@@H](C)N1CCC(=O)C1=O 49646996 573016280 /nfs/dbraw/zinc/01/62/80/573016280.db2.gz SFCDIIDAZMLTQW-SECBINFHSA-N 0 0 197.278 1.757 10 0 ADAERN Cc1oncc1[C@@H](C)[NH2+]C[C@@H](C)O 308224089 573016283 /nfs/dbraw/zinc/01/62/83/573016283.db2.gz DFSXTMFJXKEKAS-RNFRBKRXSA-N 0 0 184.239 1.014 10 0 ADAERN CCCCc1ccc(NN)cn1 104565521 573017300 /nfs/dbraw/zinc/01/73/00/573017300.db2.gz KXWYSBMXKLUAIA-UHFFFAOYSA-N 0 0 165.240 1.710 10 0 ADAERN COC(=O)/C=C/c1ccc(NN)cc1 104565571 573017306 /nfs/dbraw/zinc/01/73/06/573017306.db2.gz BHIOQYIUJITKFR-QPJJXVBHSA-N 0 0 192.218 1.158 10 0 ADAERN CC1(CNc2n[nH]c(N)n2)CCCC1 85420540 573017313 /nfs/dbraw/zinc/01/73/13/573017313.db2.gz ABDWXSLNSDDPQE-UHFFFAOYSA-N 0 0 195.270 1.379 10 0 ADAERN CC/C=C\C(=O)N1CC=CCC1 224398202 573017314 /nfs/dbraw/zinc/01/73/14/573017314.db2.gz GWBSWDPNDUBXDV-CLTKARDFSA-N 0 0 165.236 1.741 10 0 ADAERN Cc1ccc(NC(C)(C)C(=O)[O-])nc1 85424377 573017374 /nfs/dbraw/zinc/01/73/74/573017374.db2.gz PXPRDLKFEAYRAZ-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN CCC[C@@H](CC)OC(=O)C1COC1 308224924 573017377 /nfs/dbraw/zinc/01/73/77/573017377.db2.gz MPDBKKOHRVBBOT-SECBINFHSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1CC[C@@]12CCOC2 1118712254 757704535 /nfs/dbraw/zinc/70/45/35/757704535.db2.gz ITHJITIGTNLFID-YWVKMMECSA-N 0 0 195.262 1.034 10 0 ADAERN CCN1C[C@@H](c2ccc[nH]2)NC1=O 259596074 573017390 /nfs/dbraw/zinc/01/73/90/573017390.db2.gz WOOMSDAODDVXRT-QMMMGPOBSA-N 0 0 179.223 1.101 10 0 ADAERN CCN1C[C@H](C2CCCC2)N(C)C1=O 259595945 573017405 /nfs/dbraw/zinc/01/74/05/573017405.db2.gz WNYHFONGAMJEGJ-SNVBAGLBSA-N 0 0 196.294 1.933 10 0 ADAERN Cc1cc(C)c(C(=O)N2CCOC2)[nH]1 1118768083 757705255 /nfs/dbraw/zinc/70/52/55/757705255.db2.gz MJEMMEAXCQUIDI-UHFFFAOYSA-N 0 0 194.234 1.061 10 0 ADAERN C=C/C=C/c1cccnc1N 104567471 573017425 /nfs/dbraw/zinc/01/74/25/573017425.db2.gz URYVUEBGSOZGSJ-HWKANZROSA-N 0 0 146.193 1.863 10 0 ADAERN CCN(c1n[nH]c(N)n1)C1CCCC1 85420382 573017426 /nfs/dbraw/zinc/01/74/26/573017426.db2.gz AMPNSTBVBREBSB-UHFFFAOYSA-N 0 0 195.270 1.156 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1CC[C@]12CCOC2 1118712253 757707200 /nfs/dbraw/zinc/70/72/00/757707200.db2.gz ITHJITIGTNLFID-WCABBAIRSA-N 0 0 195.262 1.034 10 0 ADAERN CC1=C[C@H](O)CC(C)(C)C[C@@H]1O 238253750 573017485 /nfs/dbraw/zinc/01/74/85/573017485.db2.gz RRVNDVLWFDGEHN-IUCAKERBSA-N 0 0 170.252 1.475 10 0 ADAERN C[C@H](O)COC(=O)/C=C\C(C)(C)C 308220890 573011284 /nfs/dbraw/zinc/01/12/84/573011284.db2.gz CDZRUFFKLYHKFK-SLGIHZDVSA-N 0 0 186.251 1.513 10 0 ADAERN O=C(CCCF)N1Cc2c[nH]nc2C1 1118769080 757707886 /nfs/dbraw/zinc/70/78/86/757707886.db2.gz OQJKLBUITNUVMB-UHFFFAOYSA-N 0 0 197.213 1.002 10 0 ADAERN CON(C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)C 1118737114 757708435 /nfs/dbraw/zinc/70/84/35/757708435.db2.gz QEDUBBOPPQIHSW-MYJAWHEDSA-N 0 0 197.278 1.831 10 0 ADAERN C[C@H](OC[C@@H](C)O)C(F)(F)F 85422335 573017721 /nfs/dbraw/zinc/01/77/21/573017721.db2.gz IIIZTQITRVKOFA-UHNVWZDZSA-N 0 0 172.146 1.335 10 0 ADAERN COc1ccnc2ccc(CO)cc12 113656549 573017724 /nfs/dbraw/zinc/01/77/24/573017724.db2.gz QJJWOMKUVJJYNA-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN CCC(=O)N1C[C@H](O)CCC1(C)C 259310980 573017744 /nfs/dbraw/zinc/01/77/44/573017744.db2.gz WTXBEDBYEJINOG-MRVPVSSYSA-N 0 0 185.267 1.158 10 0 ADAERN CC(C)(C)C(=O)N1CC[C@]12CCOC2 1118779914 757710018 /nfs/dbraw/zinc/71/00/18/757710018.db2.gz QESQGWUUQMJBHL-LLVKDONJSA-N 0 0 197.278 1.424 10 0 ADAERN Cc1csc(C)c1NN 104569926 573017749 /nfs/dbraw/zinc/01/77/49/573017749.db2.gz PKMPMGACVKQIGB-UHFFFAOYSA-N 0 0 142.227 1.651 10 0 ADAERN Cc1ccc2[nH]c(=O)c(N)cc2c1 259595565 573017759 /nfs/dbraw/zinc/01/77/59/573017759.db2.gz CWSDRLUMMSCVBY-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN O=C1CNc2cc(F)cc(F)c2N1 123441915 573017772 /nfs/dbraw/zinc/01/77/72/573017772.db2.gz VJIDDXNRQDIGTR-UHFFFAOYSA-N 0 0 184.145 1.329 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N1CC[C@@]12CCOC2 1118712252 757711092 /nfs/dbraw/zinc/71/10/92/757711092.db2.gz ITHJITIGTNLFID-KKZNHRDASA-N 0 0 195.262 1.034 10 0 ADAERN CC(=O)[C@H]1Cc2c(F)cccc2N1 258226193 573017792 /nfs/dbraw/zinc/01/77/92/573017792.db2.gz PNAXNHDVEKFLFJ-SNVBAGLBSA-N 0 0 179.194 1.751 10 0 ADAERN CON(C(=O)Cc1ccoc1)C(C)C 1118736078 757711370 /nfs/dbraw/zinc/71/13/70/757711370.db2.gz CEXXWSLAUIKFGE-UHFFFAOYSA-N 0 0 197.234 1.621 10 0 ADAERN Nc1nc(N2CCCCCCC2)n[nH]1 85419928 573017876 /nfs/dbraw/zinc/01/78/76/573017876.db2.gz FAISYJKEUOXFEX-UHFFFAOYSA-N 0 0 195.270 1.157 10 0 ADAERN CC1=C[C@H](O)[C@@](C)(Cl)C1 238254179 573017880 /nfs/dbraw/zinc/01/78/80/573017880.db2.gz MIMAVYWFHOCNLG-BQBZGAKWSA-N 0 0 146.617 1.695 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@H](O)[C@@H]1CO 113626679 573019061 /nfs/dbraw/zinc/01/90/61/573019061.db2.gz JVONGXDERNPTPQ-HLTSFMKQSA-N 0 0 172.268 1.412 10 0 ADAERN CC(C)(C)C(=O)N1CC[C@@]12CCOC2 1118779915 757713979 /nfs/dbraw/zinc/71/39/79/757713979.db2.gz QESQGWUUQMJBHL-NSHDSACASA-N 0 0 197.278 1.424 10 0 ADAERN CC(C)[C@H](C)CNc1n[nH]c(N)n1 85420625 573019069 /nfs/dbraw/zinc/01/90/69/573019069.db2.gz MOIJSVZDCDZKIE-ZCFIWIBFSA-N 0 0 183.259 1.091 10 0 ADAERN COC1CC(CC2(O)CC(C)C2)C1 642826512 573019116 /nfs/dbraw/zinc/01/91/16/573019116.db2.gz XAJGMAHULMBRBV-UHFFFAOYSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1CCN(c2n[nH]c(N)n2)[C@H](C)C1 85420414 573019120 /nfs/dbraw/zinc/01/91/20/573019120.db2.gz GWKMEKINZZQNHA-RNFRBKRXSA-N 0 0 195.270 1.012 10 0 ADAERN Cc1ccc2c(c1)CO[C@H]2O 113649108 573019130 /nfs/dbraw/zinc/01/91/30/573019130.db2.gz CHEPWTUNNYGIEW-SECBINFHSA-N 0 0 150.177 1.516 10 0 ADAERN CC[C@H](O)CCc1cnccc1OC 308482932 573019141 /nfs/dbraw/zinc/01/91/41/573019141.db2.gz NHLWBVVBVHKTSV-JTQLQIEISA-N 0 0 195.262 1.794 10 0 ADAERN OC1(Cn2cnnc2)CCCCCC1 82390109 573019147 /nfs/dbraw/zinc/01/91/47/573019147.db2.gz CUTXEMUHUTVRKF-UHFFFAOYSA-N 0 0 195.266 1.363 10 0 ADAERN C[C@H]1CCCC[C@H]1Nc1n[nH]c(N)n1 85420055 573019158 /nfs/dbraw/zinc/01/91/58/573019158.db2.gz NLNDOXFFEAOSTJ-NKWVEPMBSA-N 0 0 195.270 1.378 10 0 ADAERN C[C@H]1C[C@H]1C(=O)OCc1cscn1 308226131 573019169 /nfs/dbraw/zinc/01/91/69/573019169.db2.gz DSZXYTJQXYEEGN-POYBYMJQSA-N 0 0 197.259 1.842 10 0 ADAERN CCC[N@H+](CC(=O)[O-])[C@@H]1CC[C@@H]2C[C@@H]21 308485116 573019170 /nfs/dbraw/zinc/01/91/70/573019170.db2.gz OLZCHHXLWKRYDK-KXUCPTDWSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H]1CCCC[C@H]1Nc1n[nH]c(N)n1 85420054 573019909 /nfs/dbraw/zinc/01/99/09/573019909.db2.gz NLNDOXFFEAOSTJ-RNFRBKRXSA-N 0 0 195.270 1.378 10 0 ADAERN CC[C@H](C)C[C@H](C(=O)OC)[C@H](C)O 308226609 573020760 /nfs/dbraw/zinc/02/07/60/573020760.db2.gz QZZJTSKTQOMYNI-CIUDSAMLSA-N 0 0 188.267 1.593 10 0 ADAERN Cc1nnc([C@@H]2C[C@@H]3C[C@@H]3C2)o1 1118899272 757718294 /nfs/dbraw/zinc/71/82/94/757718294.db2.gz KPXGDJJGMWRKOJ-JIGDXULJSA-N 0 0 164.208 1.892 10 0 ADAERN Nc1nc(NCC2CCCCC2)n[nH]1 85420359 573020790 /nfs/dbraw/zinc/02/07/90/573020790.db2.gz TWERCNOBLWGJLL-UHFFFAOYSA-N 0 0 195.270 1.379 10 0 ADAERN Cc1cnc(C2(C)CCC2)nc1N 642826229 573020805 /nfs/dbraw/zinc/02/08/05/573020805.db2.gz RVQIIVDIMQGJKV-UHFFFAOYSA-N 0 0 176.243 1.653 10 0 ADAERN CONCCOc1ccccc1F 308482998 573020840 /nfs/dbraw/zinc/02/08/40/573020840.db2.gz NYYSNCZSNOKUAV-UHFFFAOYSA-N 0 0 185.198 1.356 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@@H](CC1CC1)C(=O)[O-] 308483909 573020850 /nfs/dbraw/zinc/02/08/50/573020850.db2.gz NXHSFVUCOBSTOQ-SCZZXKLOSA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@H](C)OC(=O)COCC(F)F 1118847583 757720390 /nfs/dbraw/zinc/72/03/90/757720390.db2.gz QRHRVEGWUMCQTN-LURJTMIESA-N 0 0 196.193 1.610 10 0 ADAERN CCN(Cc1cccs1)C1COC1 308482969 573020858 /nfs/dbraw/zinc/02/08/58/573020858.db2.gz NWSOFJCQVWNLKU-UHFFFAOYSA-N 0 0 197.303 1.969 10 0 ADAERN CC[C@@H](C)OC(=O)COCC(F)F 1118847584 757720795 /nfs/dbraw/zinc/72/07/95/757720795.db2.gz QRHRVEGWUMCQTN-ZCFIWIBFSA-N 0 0 196.193 1.610 10 0 ADAERN CC1(C)C[C@]12CCC[C@H]2O 238253477 573020873 /nfs/dbraw/zinc/02/08/73/573020873.db2.gz DCTNYUGUEWSJDO-APPZFPTMSA-N 0 0 140.226 1.948 10 0 ADAERN COC(=O)N1CC[C@H](OC(F)F)C1 308484824 573020876 /nfs/dbraw/zinc/02/08/76/573020876.db2.gz OQFMKMTVYLRMMN-YFKPBYRVSA-N 0 0 195.165 1.066 10 0 ADAERN C[C@@H]1CC[C@@H](C)N(c2n[nH]c(N)n2)C1 85420681 573020890 /nfs/dbraw/zinc/02/08/90/573020890.db2.gz YJYPAPCJUFFYET-RNFRBKRXSA-N 0 0 195.270 1.012 10 0 ADAERN CC(C)=C(F)C(=O)OC[C@H](C)CO 308225434 573020893 /nfs/dbraw/zinc/02/08/93/573020893.db2.gz DOCJQYWHPMJICL-SSDOTTSWSA-N 0 0 190.214 1.421 10 0 ADAERN COC(=O)[C@@H](C)c1ccc(N(C)C)[nH]1 259595520 573020901 /nfs/dbraw/zinc/02/09/01/573020901.db2.gz GGBCDATYXWBHHX-ZETCQYMHSA-N 0 0 196.250 1.357 10 0 ADAERN CCN(OC)C(=O)[C@H]1CCC[C@@H]1C 308227210 573020905 /nfs/dbraw/zinc/02/09/05/573020905.db2.gz NJBFSIKUJVTPLK-IUCAKERBSA-N 0 0 185.267 1.833 10 0 ADAERN COc1nc(Cl)nc(C)c1O 141729835 573020937 /nfs/dbraw/zinc/02/09/37/573020937.db2.gz NQDLOEZYKVWYTH-UHFFFAOYSA-N 0 0 174.587 1.153 10 0 ADAERN C[C@@H](Nc1n[nH]c(N)n1)c1ccco1 85420374 573020941 /nfs/dbraw/zinc/02/09/41/573020941.db2.gz VUIDFOHWANZYOY-RXMQYKEDSA-N 0 0 193.210 1.153 10 0 ADAERN CC1(C)NC(=S)OC1(C)C 238257120 573020946 /nfs/dbraw/zinc/02/09/46/573020946.db2.gz WYXMQWVGJGLFAF-UHFFFAOYSA-N 0 0 159.254 1.448 10 0 ADAERN 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RBYCERQFGDCLAZ-DEEBLQPQSA-N 0 0 184.235 1.124 10 0 ADAERN CNc1ccc(C(OC)OC)nc1 113695657 573023051 /nfs/dbraw/zinc/02/30/51/573023051.db2.gz MMWVWDKQWLEXLW-UHFFFAOYSA-N 0 0 182.223 1.415 10 0 ADAERN CCC(C)(C)c1cn(C2COC2)nn1 1118918627 757724246 /nfs/dbraw/zinc/72/42/46/757724246.db2.gz WFTUPTWERCLESE-UHFFFAOYSA-N 0 0 195.266 1.537 10 0 ADAERN C[C@H]1C[C@@H](O)c2cc(N)ccc21 113685605 573023060 /nfs/dbraw/zinc/02/30/60/573023060.db2.gz ZUDPIPMPRIJTBM-QUBYGPBYSA-N 0 0 163.220 1.809 10 0 ADAERN COCCCc1cn(CC(C)C)nn1 1118918019 757724368 /nfs/dbraw/zinc/72/43/68/757724368.db2.gz FIHMQURMAMHJMV-UHFFFAOYSA-N 0 0 197.282 1.513 10 0 ADAERN CC(C)(C)CNc1nc(N)ns1 85427947 573023071 /nfs/dbraw/zinc/02/30/71/573023071.db2.gz VEGZRZBSIXHTLO-UHFFFAOYSA-N 0 0 186.284 1.578 10 0 ADAERN O=Cc1ccc2[nH]c(CO)cc2c1 113696007 573023098 /nfs/dbraw/zinc/02/30/98/573023098.db2.gz UMGOVDSDEGAXQQ-UHFFFAOYSA-N 0 0 175.187 1.473 10 0 ADAERN O=C(COCC(F)F)OCC1CC1 1118847267 757726157 /nfs/dbraw/zinc/72/61/57/757726157.db2.gz GZPQNRYMBVJLEQ-UHFFFAOYSA-N 0 0 194.177 1.221 10 0 ADAERN CCO[C@@H](O)c1ccccc1 113669706 573023137 /nfs/dbraw/zinc/02/31/37/573023137.db2.gz MIYVFUKMEAUKEM-SECBINFHSA-N 0 0 152.193 1.714 10 0 ADAERN CCCN(C)c1nc(C2CC2)no1 308225495 573023139 /nfs/dbraw/zinc/02/31/39/573023139.db2.gz MVMHANXSPRKGMK-UHFFFAOYSA-N 0 0 181.239 1.793 10 0 ADAERN C[C@H]1C(=O)Nc2ccccc2[C@H]1O 141706058 573023146 /nfs/dbraw/zinc/02/31/46/573023146.db2.gz FAYNZGSEDALRNM-MUWHJKNJSA-N 0 0 177.203 1.308 10 0 ADAERN CC(C)CCN1N=CC[C@H](C)C1=O 1119066451 757727677 /nfs/dbraw/zinc/72/76/77/757727677.db2.gz YEIUZXJWSXVTGE-VIFPVBQESA-N 0 0 182.267 1.887 10 0 ADAERN CC(=O)OC[C@@H]1C[C@@H](C)[C@@H](C)O1 141724472 573023161 /nfs/dbraw/zinc/02/31/61/573023161.db2.gz DYQIEFPEUPEDEE-BHNWBGBOSA-N 0 0 172.224 1.363 10 0 ADAERN CCn1c(=NN)[nH]c2ccc(O)cc21 258202951 573023189 /nfs/dbraw/zinc/02/31/89/573023189.db2.gz NQFGHSBXNWKKLG-UHFFFAOYSA-N 0 0 192.222 1.047 10 0 ADAERN CON(CCC(C)C)C(=O)N(C)C 308484967 573023198 /nfs/dbraw/zinc/02/31/98/573023198.db2.gz OSHKAIKBPODZHI-UHFFFAOYSA-N 0 0 188.271 1.578 10 0 ADAERN CC1=CC(=O)N[C@]2(C3CC3)CC[C@@H]12 238254855 573023205 /nfs/dbraw/zinc/02/32/05/573023205.db2.gz IUMKORRWTWLRCR-ONGXEEELSA-N 0 0 177.247 1.621 10 0 ADAERN CC(C)CC(O)=CC(=O)C(F)F 113676041 573023206 /nfs/dbraw/zinc/02/32/06/573023206.db2.gz VPCAUVRCZCWVTI-UHFFFAOYSA-N 0 0 178.178 1.826 10 0 ADAERN Nc1nnsc1-c1ccco1 82402629 573023208 /nfs/dbraw/zinc/02/32/08/573023208.db2.gz AIZDUQNUHFJYNL-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN CC[C@@H](C)N(C)c1nc(N)ns1 85437924 573023216 /nfs/dbraw/zinc/02/32/16/573023216.db2.gz LLDLKHHUNANAPS-RXMQYKEDSA-N 0 0 186.284 1.355 10 0 ADAERN CC(C)CCOC(=O)[C@@H](N)CC1CC1 308485085 573023224 /nfs/dbraw/zinc/02/32/24/573023224.db2.gz OLDDYDMBKRPGCP-JTQLQIEISA-N 0 0 199.294 1.703 10 0 ADAERN CC(C)(O)[C@H](O)Cc1ccccc1 141714932 573023227 /nfs/dbraw/zinc/02/32/27/573023227.db2.gz YBSGWWNYRKIAPC-SNVBAGLBSA-N 0 0 180.247 1.361 10 0 ADAERN CN(c1nc(N)ns1)C1CCCC1 85437920 573023242 /nfs/dbraw/zinc/02/32/42/573023242.db2.gz FSLCHJRJMSZVBY-UHFFFAOYSA-N 0 0 198.295 1.499 10 0 ADAERN CCOC(=O)N1CCCO[C@@H](C)C1 82393660 573023246 /nfs/dbraw/zinc/02/32/46/573023246.db2.gz DWXRICHXXRMKPO-QMMMGPOBSA-N 0 0 187.239 1.254 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)OCC(=O)C(F)F 308227031 573023250 /nfs/dbraw/zinc/02/32/50/573023250.db2.gz FEXOZGKBOSXALL-RFZPGFLSSA-N 0 0 192.161 1.020 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cc(Cl)nc(N)n1 82403757 573023278 /nfs/dbraw/zinc/02/32/78/573023278.db2.gz ZKOSQCDQHNJFGM-RFZPGFLSSA-N 0 0 198.657 1.533 10 0 ADAERN CCC[C@H](C)OC(=O)[C@@H](N)CC1CC1 308483891 573023288 /nfs/dbraw/zinc/02/32/88/573023288.db2.gz NVSDXUIMRQRPHK-WPRPVWTQSA-N 0 0 199.294 1.846 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@@H](CC1CC1)C(=O)[O-] 308483911 573023297 /nfs/dbraw/zinc/02/32/97/573023297.db2.gz NXHSFVUCOBSTOQ-WPRPVWTQSA-N 0 0 197.278 1.724 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](c2ccoc2)[NH2+]1 104575262 573023304 /nfs/dbraw/zinc/02/33/04/573023304.db2.gz PNNROOCRSYRXOS-YUMQZZPRSA-N 0 0 181.191 1.157 10 0 ADAERN Fc1cc(F)c2c(c1)NCCN2 123451207 573023312 /nfs/dbraw/zinc/02/33/12/573023312.db2.gz NHACHOQALOTJMG-UHFFFAOYSA-N 0 0 170.162 1.802 10 0 ADAERN CC(C)CCN1N=CC[C@@H](C)C1=O 1119066444 757733192 /nfs/dbraw/zinc/73/31/92/757733192.db2.gz YEIUZXJWSXVTGE-SECBINFHSA-N 0 0 182.267 1.887 10 0 ADAERN O=C1CC[C@H](c2nc(C3CC3)no2)O1 1118999577 757733208 /nfs/dbraw/zinc/73/32/08/757733208.db2.gz XYNLIJZWJYKBQP-ZCFIWIBFSA-N 0 0 194.190 1.325 10 0 ADAERN CCN1c2ccccc2NC[C@H]1CO 113681429 573023322 /nfs/dbraw/zinc/02/33/22/573023322.db2.gz CXTFGONDWBWZTH-VIFPVBQESA-N 0 0 192.262 1.299 10 0 ADAERN CCOc1c(C)nc2c(N)ccnn12 238255470 573023380 /nfs/dbraw/zinc/02/33/80/573023380.db2.gz IIIHVSLSXRNQNO-UHFFFAOYSA-N 0 0 192.222 1.019 10 0 ADAERN CC(=O)N[C@@H]1CC(C)(C)CC[C@H]1O 1119050732 757735225 /nfs/dbraw/zinc/73/52/25/757735225.db2.gz JLVSYDVTUDIVMF-RKDXNWHRSA-N 0 0 185.267 1.062 10 0 ADAERN CC1(C)NC=C2C(=O)C[C@H]21 238255640 573023389 /nfs/dbraw/zinc/02/33/89/573023389.db2.gz ZPRRVTWNUANCNC-NTSWFWBYSA-N 0 0 137.182 1.055 10 0 ADAERN C[C@@H]1C[C@@H]1[N-]C(=O)C(F)(F)F 82403810 573023391 /nfs/dbraw/zinc/02/33/91/573023391.db2.gz XUBFFBHZXCEYDD-DMTCNVIQSA-N 0 0 167.130 1.073 10 0 ADAERN COCC(=O)N[C@@H]1CCCC[C@@H]1F 1119046719 757735665 /nfs/dbraw/zinc/73/56/65/757735665.db2.gz CANIRBQQDHSCCV-JGVFFNPUSA-N 0 0 189.230 1.030 10 0 ADAERN CN(O)c1nc2ccccc2[nH]1 45238474 573023403 /nfs/dbraw/zinc/02/34/03/573023403.db2.gz KIPIXNHRXWKHKL-UHFFFAOYSA-N 0 0 163.180 1.388 10 0 ADAERN C/C=C/C(=O)N[C@H]1C[C@@H]1C 82403823 573023412 /nfs/dbraw/zinc/02/34/12/573023412.db2.gz GACITNWTGVFLTH-FWDZIHJBSA-N 0 0 139.198 1.087 10 0 ADAERN CCNc1ccc(OCCO)cc1 113689123 573023424 /nfs/dbraw/zinc/02/34/24/573023424.db2.gz WUDAXPZRWVJLLO-UHFFFAOYSA-N 0 0 181.235 1.490 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](c2ccoc2)[NH2+]1 104575260 573023427 /nfs/dbraw/zinc/02/34/27/573023427.db2.gz PNNROOCRSYRXOS-HTQZYQBOSA-N 0 0 181.191 1.157 10 0 ADAERN C[C@H](C1CC1)N(C)c1nc(N)ns1 85437377 573023431 /nfs/dbraw/zinc/02/34/31/573023431.db2.gz UIXZHRSLXRVHQF-RXMQYKEDSA-N 0 0 198.295 1.355 10 0 ADAERN CC1=C[C@H](O)n2nnc3cccc1c32 238254382 573023443 /nfs/dbraw/zinc/02/34/43/573023443.db2.gz MHOQXAGTDRNDSQ-VIFPVBQESA-N 0 0 187.202 1.339 10 0 ADAERN COc1cc(N)c(C)c(N)c1 113686713 573023452 /nfs/dbraw/zinc/02/34/52/573023452.db2.gz GDQKDHAKDOCHBF-UHFFFAOYSA-N 0 0 152.197 1.168 10 0 ADAERN CC[C@H](C)N(C)c1nc(N)ns1 85437926 573023463 /nfs/dbraw/zinc/02/34/63/573023463.db2.gz LLDLKHHUNANAPS-YFKPBYRVSA-N 0 0 186.284 1.355 10 0 ADAERN Nc1cccc(F)c1NCCCCO 308483275 573023473 /nfs/dbraw/zinc/02/34/73/573023473.db2.gz NRBHUQXLYJVEGP-UHFFFAOYSA-N 0 0 198.241 1.592 10 0 ADAERN Nc1nsc(NCC2CCCC2)n1 85427631 573023492 /nfs/dbraw/zinc/02/34/92/573023492.db2.gz PHEIJLMPNLVGEL-UHFFFAOYSA-N 0 0 198.295 1.722 10 0 ADAERN C=C1C(=O)Oc2ccc(C)cc21 113689965 573023509 /nfs/dbraw/zinc/02/35/09/573023509.db2.gz AYGMORHWMJYHMI-UHFFFAOYSA-N 0 0 160.172 1.927 10 0 ADAERN CC1=C[C@H](OC(N)=O)CCC1 238254404 573023512 /nfs/dbraw/zinc/02/35/12/573023512.db2.gz RICLOYSYFOKBBX-SSDOTTSWSA-N 0 0 155.197 1.581 10 0 ADAERN CC(C)C(c1noc(CO)n1)C(C)C 308485135 573023039 /nfs/dbraw/zinc/02/30/39/573023039.db2.gz ONGUZDPJTQQOOR-UHFFFAOYSA-N 0 0 198.266 1.958 10 0 ADAERN C[C@H](OC(=O)c1ccon1)C1CC1 308228780 573026053 /nfs/dbraw/zinc/02/60/53/573026053.db2.gz FWNXCYHSJPWNHV-LURJTMIESA-N 0 0 181.191 1.630 10 0 ADAERN CCc1occc1[C@@](C)([NH3+])C(=O)[O-] 104575283 573026073 /nfs/dbraw/zinc/02/60/73/573026073.db2.gz HBRFIWXACMLGDV-SECBINFHSA-N 0 0 183.207 1.101 10 0 ADAERN CCN(CC)C(=O)C1=CCCSC1 308227586 573026091 /nfs/dbraw/zinc/02/60/91/573026091.db2.gz NPBGGSFOKWMMLR-UHFFFAOYSA-N 0 0 199.319 1.918 10 0 ADAERN CCCC[C@H](O)c1cn(C)nc1C 128484465 573026094 /nfs/dbraw/zinc/02/60/94/573026094.db2.gz LGLIPSZKJHSFPQ-JTQLQIEISA-N 0 0 182.267 1.952 10 0 ADAERN C[C@H]1C[C@H]1[N-]C(=O)C(F)(F)F 82403813 573026100 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573026185 /nfs/dbraw/zinc/02/61/85/573026185.db2.gz WNXUOMAOQZFFEV-LLVKDONJSA-N 0 0 189.214 1.618 10 0 ADAERN C[C@H]1C/C(=C/C=C\C(=O)[O-])CC[N@@H+]1C 308476873 573026190 /nfs/dbraw/zinc/02/61/90/573026190.db2.gz UREAMNPAOYNDFV-OJDRFRPPSA-N 0 0 195.262 1.668 10 0 ADAERN Cc1cc([C@@](C)([NH3+])C(=O)[O-])c(C)o1 104574088 573026206 /nfs/dbraw/zinc/02/62/06/573026206.db2.gz RKLVCTBOGXCWPR-SECBINFHSA-N 0 0 183.207 1.155 10 0 ADAERN CC1(c2cnc(CNC3CC3)o2)CC1 308479085 573026209 /nfs/dbraw/zinc/02/62/09/573026209.db2.gz FWSDWDPOMKPBAZ-UHFFFAOYSA-N 0 0 192.262 1.978 10 0 ADAERN COc1cccc(C(N)=O)c1C(C)C 113700008 573026210 /nfs/dbraw/zinc/02/62/10/573026210.db2.gz CQAWTVYVTUNJAP-UHFFFAOYSA-N 0 0 193.246 1.918 10 0 ADAERN CCC[C@@H](O)C1=C[C@@H](C)OC1=O 238254237 573026219 /nfs/dbraw/zinc/02/62/19/573026219.db2.gz AOROJXXVOKWSNE-HTRCEHHLSA-N 0 0 170.208 1.019 10 0 ADAERN CCn1c(NC)[nH+]c2cc(N)ccc21 45238323 573026226 /nfs/dbraw/zinc/02/62/26/573026226.db2.gz LERMDATUXTYKJB-UHFFFAOYSA-N 0 0 190.250 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308233704 573042247 /nfs/dbraw/zinc/04/22/47/573042247.db2.gz PYIMABKPIMBOSS-MRVPVSSYSA-N 0 0 193.237 1.752 10 0 ADAERN C/C=C/CC[C@H](O)OCC 238260508 573042252 /nfs/dbraw/zinc/04/22/52/573042252.db2.gz BAMLXGYYJDRXNL-RYEJSQLPSA-N 0 0 144.214 1.698 10 0 ADAERN CC1(C)CN(C(=O)CCF)C1(C)C 1119532027 757768919 /nfs/dbraw/zinc/76/89/19/757768919.db2.gz GCOSUTGOOZMYOB-UHFFFAOYSA-N 0 0 187.258 1.993 10 0 ADAERN C[C@H](O)c1ncc2ccc(F)cn12 257933326 573042289 /nfs/dbraw/zinc/04/22/89/573042289.db2.gz TWUGSZJUFSARFC-LURJTMIESA-N 0 0 180.182 1.527 10 0 ADAERN O=C(CCF)N1CC2CCC1CC2 1119532638 757769551 /nfs/dbraw/zinc/76/95/51/757769551.db2.gz KQUIKGBULTUQQI-UHFFFAOYSA-N 0 0 185.242 1.747 10 0 ADAERN CC[C@](C)(CO)[C@H](C)COC 128461086 573042309 /nfs/dbraw/zinc/04/23/09/573042309.db2.gz ZSFYSVLBDQOMBE-RKDXNWHRSA-N 0 0 160.257 1.678 10 0 ADAERN CCCNC(C)=S 104586669 573042332 /nfs/dbraw/zinc/04/23/32/573042332.db2.gz AGMJDGVFOAFLPT-UHFFFAOYSA-N 0 0 117.217 1.333 10 0 ADAERN CC(C)(O)CNC(=O)C1(C2CC2)CC1 1119454555 757770814 /nfs/dbraw/zinc/77/08/14/757770814.db2.gz GKGDXGKQJWDLPD-UHFFFAOYSA-N 0 0 197.278 1.064 10 0 ADAERN O=C1CC(Oc2ccc(F)cc2)C1 85504066 573049796 /nfs/dbraw/zinc/04/97/96/573049796.db2.gz JAIKZBIANREBQV-UHFFFAOYSA-N 0 0 180.178 1.936 10 0 ADAERN Cc1ccc2nc(N)n(C(C)C)c2n1 88036313 573049823 /nfs/dbraw/zinc/04/98/23/573049823.db2.gz DWSGDMYQANRCHG-UHFFFAOYSA-N 0 0 190.250 1.903 10 0 ADAERN O[C@H](c1ccncc1)[C@H]1CCOC1 82456551 573049824 /nfs/dbraw/zinc/04/98/24/573049824.db2.gz ASKDDNXSJZLLBI-VHSXEESVSA-N 0 0 179.219 1.152 10 0 ADAERN O=Cc1ccc2c(c1)NC(=O)[C@@H](F)O2 114039914 573049829 /nfs/dbraw/zinc/04/98/29/573049829.db2.gz PAWSXJJHENARGI-QMMMGPOBSA-N 0 0 195.149 1.126 10 0 ADAERN Cc1cc(C)c(CO)s1 88047845 573049841 /nfs/dbraw/zinc/04/98/41/573049841.db2.gz UCJBXSJICYTWRE-UHFFFAOYSA-N 0 0 142.223 1.857 10 0 ADAERN Cc1cc(C=O)c(C)n1-c1ncc[nH]1 82457657 573049847 /nfs/dbraw/zinc/04/98/47/573049847.db2.gz GAMNIRZQIVDDDG-UHFFFAOYSA-N 0 0 189.218 1.630 10 0 ADAERN CSc1ccccc1CNC=O 113997021 573049858 /nfs/dbraw/zinc/04/98/58/573049858.db2.gz QUZWSLXJRIISOY-UHFFFAOYSA-N 0 0 181.260 1.655 10 0 ADAERN c1nsnc1[C@H]1CCCCC[NH2+]1 88040036 573049867 /nfs/dbraw/zinc/04/98/67/573049867.db2.gz HBOXHTIALLRJJI-SSDOTTSWSA-N 0 0 183.280 1.743 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CCOC1 82456568 573049872 /nfs/dbraw/zinc/04/98/72/573049872.db2.gz QSCDSXYUPHYZNR-SFYZADRCSA-N 0 0 144.214 1.040 10 0 ADAERN CC1(CC(=O)N[C@@]23COC[C@@H]2C3)CC1 1119510086 757773401 /nfs/dbraw/zinc/77/34/01/757773401.db2.gz MWZNRMIVALZKMI-KWQFWETISA-N 0 0 195.262 1.082 10 0 ADAERN Cc1ccc2nc([C@@H](C)[NH3+])[nH]c2n1 88037184 573049897 /nfs/dbraw/zinc/04/98/97/573049897.db2.gz JGUGXZAOLAGTOB-ZCFIWIBFSA-N 0 0 176.223 1.286 10 0 ADAERN Cn1cc2c(CO)c(Cl)ccc2n1 114059988 573049910 /nfs/dbraw/zinc/04/99/10/573049910.db2.gz MKAUYUMSRCUVLE-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN Nc1cccnc1S[C@H]1CCOC1 82456087 573049915 /nfs/dbraw/zinc/04/99/15/573049915.db2.gz LBNRISLRIBSLPC-ZETCQYMHSA-N 0 0 196.275 1.545 10 0 ADAERN Cc1ccc2[nH]c(=S)n(C)c2n1 88036208 573049919 /nfs/dbraw/zinc/04/99/19/573049919.db2.gz BZWQXFWPNHGQNH-UHFFFAOYSA-N 0 0 179.248 1.939 10 0 ADAERN CO[C@H](CO)c1ccccc1O 257932671 573049930 /nfs/dbraw/zinc/04/99/30/573049930.db2.gz AWOLIZHYPTZTLZ-SECBINFHSA-N 0 0 168.192 1.072 10 0 ADAERN CO[C@H](CCO)c1cccc(F)c1 257935916 573049935 /nfs/dbraw/zinc/04/99/35/573049935.db2.gz UFVZOKIYDCIAJG-SNVBAGLBSA-N 0 0 184.210 1.896 10 0 ADAERN CCSC(=O)c1ccc(N)nc1 257934626 573049962 /nfs/dbraw/zinc/04/99/62/573049962.db2.gz PSFYWIPIPWVXPL-UHFFFAOYSA-N 0 0 182.248 1.557 10 0 ADAERN C=COC[C@H]1CCOC1 85503598 573049967 /nfs/dbraw/zinc/04/99/67/573049967.db2.gz YZGIJMOPZPHVSW-SSDOTTSWSA-N 0 0 128.171 1.183 10 0 ADAERN CN1CCc2ccccc2N1 257935176 573049974 /nfs/dbraw/zinc/04/99/74/573049974.db2.gz CBYWLZYRHPBBIX-UHFFFAOYSA-N 0 0 148.209 1.501 10 0 ADAERN O=C(CC1CCC1)N[C@@]12COC[C@@H]1C2 1119548479 757775882 /nfs/dbraw/zinc/77/58/82/757775882.db2.gz OZMQOKZKAAPVBB-ONGXEEELSA-N 0 0 195.262 1.082 10 0 ADAERN Cc1nn(C)cc1NC(=O)CC1CC1 1119543152 757776443 /nfs/dbraw/zinc/77/64/43/757776443.db2.gz CBJWRONKWCJEIN-UHFFFAOYSA-N 0 0 193.250 1.467 10 0 ADAERN O[C@@H](c1ccsc1)[C@@H]1CCOC1 82456552 573050033 /nfs/dbraw/zinc/05/00/33/573050033.db2.gz FETUPQOFINUBQJ-VXNVDRBHSA-N 0 0 184.260 1.818 10 0 ADAERN CNCC(F)(F)C[C@@H]1CCOC1 257935897 573050039 /nfs/dbraw/zinc/05/00/39/573050039.db2.gz UFACRFQFSIJCFG-ZETCQYMHSA-N 0 0 179.210 1.268 10 0 ADAERN COc1cc(N)cc(C[S@@](C)=O)c1 88042451 573050041 /nfs/dbraw/zinc/05/00/41/573050041.db2.gz MZCXZLDEGOUKFH-ZDUSSCGKSA-N 0 0 199.275 1.156 10 0 ADAERN Cc1ccc2nc([C@@H](C)O)[nH]c2n1 88037496 573050050 /nfs/dbraw/zinc/05/00/50/573050050.db2.gz QHMYVRCMCRNWDP-ZCFIWIBFSA-N 0 0 177.207 1.320 10 0 ADAERN O=C(c1ccsc1)[C@H]1CCOC1 82456431 573050052 /nfs/dbraw/zinc/05/00/52/573050052.db2.gz SAUXGZNXSYCZKZ-ZETCQYMHSA-N 0 0 182.244 1.967 10 0 ADAERN CC1(C(=O)OCCF)CC=CC1 1119619185 757777684 /nfs/dbraw/zinc/77/76/84/757777684.db2.gz LTLCDVHLYWOIGX-UHFFFAOYSA-N 0 0 172.199 1.855 10 0 ADAERN O=C(C1CCCC1)[C@@H]1CCOC1 82456460 573050070 /nfs/dbraw/zinc/05/00/70/573050070.db2.gz ZWTMBGXSWIBUCH-SECBINFHSA-N 0 0 168.236 1.782 10 0 ADAERN OCc1ccc(CO)c(Cl)c1 114017365 573050093 /nfs/dbraw/zinc/05/00/93/573050093.db2.gz KERPBPYPUGLGOP-UHFFFAOYSA-N 0 0 172.611 1.325 10 0 ADAERN CCC[C@]1(C(C)=O)OCCS1 238259514 573050095 /nfs/dbraw/zinc/05/00/95/573050095.db2.gz ZKHYPLKAUHZDEW-QMMMGPOBSA-N 0 0 174.265 1.835 10 0 ADAERN Cc1cccc([C@H](O)[C@@H]2CCOC2)n1 82456732 573050102 /nfs/dbraw/zinc/05/01/02/573050102.db2.gz SJCMOCQPDFBRRE-MWLCHTKSSA-N 0 0 193.246 1.460 10 0 ADAERN COC[C@H]1CNc2ccc(C)[nH+]c2N1 88037150 573050116 /nfs/dbraw/zinc/05/01/16/573050116.db2.gz LIABFOCECCCLNG-MRVPVSSYSA-N 0 0 193.250 1.242 10 0 ADAERN C[C@@H](C(=O)NC1(C)CC1)[C@@H]1CCCO1 1119563882 757778954 /nfs/dbraw/zinc/77/89/54/757778954.db2.gz NFVWKSJHTPVZTB-BDAKNGLRSA-N 0 0 197.278 1.470 10 0 ADAERN O[C@H](CC(F)(F)F)[C@@H]1CCOC1 82456618 573050134 /nfs/dbraw/zinc/05/01/34/573050134.db2.gz VVPXZTZSMPPPPF-PHDIDXHHSA-N 0 0 184.157 1.336 10 0 ADAERN C[C@@H](C(=O)NC1(C)CC1)[C@H]1CCCO1 1119563885 757779768 /nfs/dbraw/zinc/77/97/68/757779768.db2.gz NFVWKSJHTPVZTB-RKDXNWHRSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)/C=C/C(=O)O[C@H]1CCOC1 308249281 573050140 /nfs/dbraw/zinc/05/01/40/573050140.db2.gz GUYVLRTZDAXTPE-NWALNABHSA-N 0 0 184.235 1.531 10 0 ADAERN C[C@@H]1CCC[C@@](O)([C@@H]2CCOC2)C1 82456138 573050148 /nfs/dbraw/zinc/05/01/48/573050148.db2.gz NSZOYSIHFNVOCD-MXWKQRLJSA-N 0 0 184.279 1.964 10 0 ADAERN CCOC(=O)[C@@](C)(N)CC(F)(F)F 257932478 573050176 /nfs/dbraw/zinc/05/01/76/573050176.db2.gz ZXSCYQLRJGLYDQ-LURJTMIESA-N 0 0 199.172 1.219 10 0 ADAERN Nc1cccnc1S[C@@H]1CCOC1 82456086 573050179 /nfs/dbraw/zinc/05/01/79/573050179.db2.gz LBNRISLRIBSLPC-SSDOTTSWSA-N 0 0 196.275 1.545 10 0 ADAERN CCONCc1noc(C(C)C)n1 308249844 573050183 /nfs/dbraw/zinc/05/01/83/573050183.db2.gz AZMRHKKCFKNEKJ-UHFFFAOYSA-N 0 0 185.227 1.234 10 0 ADAERN Nc1cnccc1S[C@@H]1CCOC1 82456084 573050196 /nfs/dbraw/zinc/05/01/96/573050196.db2.gz YBEWDKNJVWEACT-SSDOTTSWSA-N 0 0 196.275 1.545 10 0 ADAERN CC(C)[C@@H](O)[C@@H]1CCOC1 82456569 573050201 /nfs/dbraw/zinc/05/02/01/573050201.db2.gz QSCDSXYUPHYZNR-HTQZYQBOSA-N 0 0 144.214 1.040 10 0 ADAERN COC(=O)c1cc2ccccc2n1N 114006893 573050202 /nfs/dbraw/zinc/05/02/02/573050202.db2.gz FPNFSSRDWCMONM-UHFFFAOYSA-N 0 0 190.202 1.142 10 0 ADAERN C[C@@H](CO)c1cccc2oncc12 257935354 573050204 /nfs/dbraw/zinc/05/02/04/573050204.db2.gz CHMMRBIVTVYRAS-ZETCQYMHSA-N 0 0 177.203 1.924 10 0 ADAERN CCN(CC)C(=O)N/C=C\Cl 224655374 573050212 /nfs/dbraw/zinc/05/02/12/573050212.db2.gz FKOYOPOYAMHZQR-WAYWQWQTSA-N 0 0 176.647 1.748 10 0 ADAERN C/C=C(/C)C(=O)NC1[C@H]2CCC[C@@H]12 308249669 573050219 /nfs/dbraw/zinc/05/02/19/573050219.db2.gz ANKDZBIIRUWXLB-SMXPLPSPSA-N 0 0 179.263 1.867 10 0 ADAERN CC(C)C[C@@H](O)[C@@H]1CCOC1 82456565 573050235 /nfs/dbraw/zinc/05/02/35/573050235.db2.gz UHXVBOZQKQXPCZ-RKDXNWHRSA-N 0 0 158.241 1.430 10 0 ADAERN O=C(c1ccccn1)[C@H]1CCOC1 82456425 573050243 /nfs/dbraw/zinc/05/02/43/573050243.db2.gz IJDIJFBKOIHKOJ-QMMMGPOBSA-N 0 0 177.203 1.301 10 0 ADAERN O=Cc1noc(C2CCCCC2)n1 257937725 573052005 /nfs/dbraw/zinc/05/20/05/573052005.db2.gz HRDVTHZNJSTRNA-UHFFFAOYSA-N 0 0 180.207 1.930 10 0 ADAERN O=C1CCC[C@H]1[C@@H]1CCOC1 82457361 573052109 /nfs/dbraw/zinc/05/21/09/573052109.db2.gz ADEYPGQOHRMZNF-SFYZADRCSA-N 0 0 154.209 1.392 10 0 ADAERN C[C@H](O)C(F)(F)[C@H]1CCCOC1 257937274 573052863 /nfs/dbraw/zinc/05/28/63/573052863.db2.gz ULVWDYCHNSQLMW-BQBZGAKWSA-N 0 0 180.194 1.429 10 0 ADAERN CC[C@@H](C)CC(=O)CCO 238262203 573052866 /nfs/dbraw/zinc/05/28/66/573052866.db2.gz IXYLIRXIKUDZAL-SSDOTTSWSA-N 0 0 144.214 1.374 10 0 ADAERN CC(=O)CCC(=O)O[C@@H](C)C1CC1 308249307 573052876 /nfs/dbraw/zinc/05/28/76/573052876.db2.gz GVMDAASTEOQBSA-QMMMGPOBSA-N 0 0 184.235 1.697 10 0 ADAERN CC[C@H](C)ONC(=O)NC1CCC1 308249625 573052881 /nfs/dbraw/zinc/05/28/81/573052881.db2.gz ALVFXRZZMQEUJJ-ZETCQYMHSA-N 0 0 186.255 1.568 10 0 ADAERN CC(C)N1CCc2cc(CO)ccc21 257937487 573052899 /nfs/dbraw/zinc/05/28/99/573052899.db2.gz QLJNPNHRUTVHMR-UHFFFAOYSA-N 0 0 191.274 1.950 10 0 ADAERN CCC(CC)c1nc(O)c(C)c(=O)[nH]1 82473860 573052907 /nfs/dbraw/zinc/05/29/07/573052907.db2.gz GPMQUEXQEDAHDG-UHFFFAOYSA-N 0 0 196.250 1.688 10 0 ADAERN Nc1ccc2c(ccc3nncn32)c1 259599012 573052909 /nfs/dbraw/zinc/05/29/09/573052909.db2.gz CZUJNFVFZDQEEM-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN CCC(=O)NCC[C@@H](O)C(C)(C)C 77108840 573052934 /nfs/dbraw/zinc/05/29/34/573052934.db2.gz MQSCXEAOLINBMS-MRVPVSSYSA-N 0 0 187.283 1.310 10 0 ADAERN Oc1cc2c(cc1Cl)CCO2 257933038 573052943 /nfs/dbraw/zinc/05/29/43/573052943.db2.gz AXPSJTOFNZIIDY-UHFFFAOYSA-N 0 0 170.595 1.981 10 0 ADAERN CCN1C(=O)CC2(CCC2)CNC1=O 88049439 573052958 /nfs/dbraw/zinc/05/29/58/573052958.db2.gz FQXCZJGGTMEQMA-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN CC(=O)Oc1cccc(O)c1C 114061847 573052973 /nfs/dbraw/zinc/05/29/73/573052973.db2.gz HLVNJNIELNJNDQ-UHFFFAOYSA-N 0 0 166.176 1.626 10 0 ADAERN C[C@H](C(=O)NC1(C)CC1)[C@@H]1CCCO1 1119563884 757786573 /nfs/dbraw/zinc/78/65/73/757786573.db2.gz NFVWKSJHTPVZTB-IUCAKERBSA-N 0 0 197.278 1.470 10 0 ADAERN CCC[C@]1(CC)C(N)=NC(=O)N1CC 233317871 573054879 /nfs/dbraw/zinc/05/48/79/573054879.db2.gz RZUVGMDPCHFVBL-SNVBAGLBSA-N 0 0 197.282 1.748 10 0 ADAERN C[C@@H](OC1CC(=O)C1)C(F)(F)F 85507181 573054881 /nfs/dbraw/zinc/05/48/81/573054881.db2.gz STIYZMWUCPGDEV-SCSAIBSYSA-N 0 0 182.141 1.685 10 0 ADAERN C[C@H](C(=O)NC1(C)CC1)[C@H]1CCCO1 1119563883 757787468 /nfs/dbraw/zinc/78/74/68/757787468.db2.gz NFVWKSJHTPVZTB-DTWKUNHWSA-N 0 0 197.278 1.470 10 0 ADAERN COc1cccc(N[C@H]2C[C@H]2C)n1 82458395 573054890 /nfs/dbraw/zinc/05/48/90/573054890.db2.gz CKTQVQQXFDFEPW-SFYZADRCSA-N 0 0 178.235 1.911 10 0 ADAERN C[C@H](NCc1ncc[nH]1)c1ccco1 49714849 573054968 /nfs/dbraw/zinc/05/49/68/573054968.db2.gz QZDYDXPGIHKTOE-QMMMGPOBSA-N 0 0 191.234 1.854 10 0 ADAERN O=C1CC(Oc2cccnc2)C1 85506710 573054969 /nfs/dbraw/zinc/05/49/69/573054969.db2.gz UXBYSGHSOHBCDD-UHFFFAOYSA-N 0 0 163.176 1.192 10 0 ADAERN CC(C)(C)N1C(=O)NC2(CCC2)C1=O 88049429 573054978 /nfs/dbraw/zinc/05/49/78/573054978.db2.gz QKAXEFRJZQRWDF-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN CC(C)(C)n1cc(-c2nnco2)cn1 1119560740 757790455 /nfs/dbraw/zinc/79/04/55/757790455.db2.gz WHYLQTJOJGGSNR-UHFFFAOYSA-N 0 0 192.222 1.688 10 0 ADAERN Cc1cc2c(CO)cccn2n1 114061180 573055011 /nfs/dbraw/zinc/05/50/11/573055011.db2.gz SSSBOEXRCJCDJB-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN CCc1c(O)nc(CC(C)C)[nH]c1=O 82473794 573055013 /nfs/dbraw/zinc/05/50/13/573055013.db2.gz MKDPOXBSAUKEEX-UHFFFAOYSA-N 0 0 196.250 1.236 10 0 ADAERN C[C@H]1CC[N@@H+]1C1(C(=O)[O-])CCC1 88049460 573055016 /nfs/dbraw/zinc/05/50/16/573055016.db2.gz WSGBOKRKGJQJSO-ZETCQYMHSA-N 0 0 169.224 1.088 10 0 ADAERN CO[C@H]1C[C@H](O)C12CCCCC2 85508450 573055020 /nfs/dbraw/zinc/05/50/20/573055020.db2.gz PELIWDPMXGSOHO-IUCAKERBSA-N 0 0 170.252 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190.206 1.078 10 0 ADAERN CC1CCC(C(=O)NC(N)=O)CC1 123618875 573100502 /nfs/dbraw/zinc/10/05/02/573100502.db2.gz PHYDCDJWKDNMLP-UHFFFAOYSA-N 0 0 184.239 1.008 10 0 ADAERN CC(=O)n1c2ccccc2c(=O)n1C 1132329715 757864680 /nfs/dbraw/zinc/86/46/80/757864680.db2.gz MMCRLYQBADDFSR-UHFFFAOYSA-N 0 0 190.202 1.000 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)NC(C)(C)CF 1132118328 757864705 /nfs/dbraw/zinc/86/47/05/757864705.db2.gz RKEOBCRLFXZEJQ-HTQZYQBOSA-N 0 0 187.258 1.897 10 0 ADAERN C[C@@H]1[C@@H](O)C[C@@H]1c1ccccn1 88178811 573100504 /nfs/dbraw/zinc/10/05/04/573100504.db2.gz JDWCGNLFNQDQSZ-NRPADANISA-N 0 0 163.220 1.566 10 0 ADAERN O=C(COC1CC1)Nc1ccsn1 1132960123 757864715 /nfs/dbraw/zinc/86/47/15/757864715.db2.gz OLJFHRVZORCKDJ-UHFFFAOYSA-N 0 0 198.247 1.261 10 0 ADAERN Cc1cc(C(=O)N(C)C#N)cnc1F 1128274557 757864759 /nfs/dbraw/zinc/86/47/59/757864759.db2.gz DGJRTOJUHGSUII-UHFFFAOYSA-N 0 0 193.181 1.082 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]1c1ccncc1 88177381 573100508 /nfs/dbraw/zinc/10/05/08/573100508.db2.gz ADEWWLZMGMQTIY-CBAPKCEASA-N 0 0 161.204 1.774 10 0 ADAERN O=C(c1ccc[nH]1)[C@@H]1CCOC1 82564051 573100518 /nfs/dbraw/zinc/10/05/18/573100518.db2.gz DBHMYIXEKAOOOB-SSDOTTSWSA-N 0 0 165.192 1.234 10 0 ADAERN Cc1cccc(F)c1C(=O)N(C)C#N 1128270145 757865001 /nfs/dbraw/zinc/86/50/01/757865001.db2.gz ANYOVBMYLNDIQY-UHFFFAOYSA-N 0 0 192.193 1.687 10 0 ADAERN CCO[C@@H](CC(=O)N(C)C#N)C(C)C 1128270478 757865012 /nfs/dbraw/zinc/86/50/12/757865012.db2.gz PKPKUOUANLIGBR-VIFPVBQESA-N 0 0 198.266 1.377 10 0 ADAERN CS/C=C/C(=O)NC(CF)CF 1129184417 757865060 /nfs/dbraw/zinc/86/50/60/757865060.db2.gz ATAFBVRRGXPGTL-NSCUHMNNSA-N 0 0 195.234 1.287 10 0 ADAERN O=C(Nc1ccsn1)[C@H]1CCCO1 1132744820 757865121 /nfs/dbraw/zinc/86/51/21/757865121.db2.gz GHLFUKZOGISHOV-ZCFIWIBFSA-N 0 0 198.247 1.261 10 0 ADAERN CN(C#N)C(=O)CCC1CCOCC1 1128270203 757865146 /nfs/dbraw/zinc/86/51/46/757865146.db2.gz DMJVVNHQVIGYCS-UHFFFAOYSA-N 0 0 196.250 1.133 10 0 ADAERN COCCC(=O)OCc1ocnc1C 1129190840 757865151 /nfs/dbraw/zinc/86/51/51/757865151.db2.gz GKMNXORLYDTJJR-UHFFFAOYSA-N 0 0 199.206 1.063 10 0 ADAERN C[C@H]1C(=O)C[C@H]1c1cccnc1 88177058 573100523 /nfs/dbraw/zinc/10/05/23/573100523.db2.gz NXIOBPPJOIQGIQ-VXNVDRBHSA-N 0 0 161.204 1.774 10 0 ADAERN CCC1(NC(=O)Cc2ccon2)CC1 1129096178 757865265 /nfs/dbraw/zinc/86/52/65/757865265.db2.gz PMVPLEADRPQCFB-UHFFFAOYSA-N 0 0 194.234 1.276 10 0 ADAERN C/C=C(/C)C(=O)Nc1nnn(C)c1C 1129696809 757865322 /nfs/dbraw/zinc/86/53/22/757865322.db2.gz GTVVWRLAIXWGOY-WAYWQWQTSA-N 0 0 194.238 1.028 10 0 ADAERN COc1cccc(C[C@H](C)O)c1O 257943579 573100535 /nfs/dbraw/zinc/10/05/35/573100535.db2.gz AAPHJZXYHDADQG-ZETCQYMHSA-N 0 0 182.219 1.324 10 0 ADAERN O=C(NCCF)[C@@H]1C[C@H]1C(F)(F)F 1128593843 757865591 /nfs/dbraw/zinc/86/55/91/757865591.db2.gz WXMGJEKABUQOAM-RFZPGFLSSA-N 0 0 199.147 1.271 10 0 ADAERN C/C=C(/C)C(=O)Nc1ccc(F)nn1 1131425430 757865665 /nfs/dbraw/zinc/86/56/65/757865665.db2.gz AWROQLOFYJDBLU-UTCJRWHESA-N 0 0 195.197 1.520 10 0 ADAERN COCCCCN(C)C(=O)CC1CC1 1129819516 757865694 /nfs/dbraw/zinc/86/56/94/757865694.db2.gz JPYYHNVJLUULOY-UHFFFAOYSA-N 0 0 199.294 1.672 10 0 ADAERN C[C@H](C(=O)N(C)C#N)C(C)(C)C 1128270434 757865703 /nfs/dbraw/zinc/86/57/03/757865703.db2.gz OCMQXEYEINEQAZ-SSDOTTSWSA-N 0 0 168.240 1.608 10 0 ADAERN CCC(=O)OCc1cncnc1C 1128876315 757865720 /nfs/dbraw/zinc/86/57/20/757865720.db2.gz HGDWRCKFFDCYJL-UHFFFAOYSA-N 0 0 180.207 1.238 10 0 ADAERN O=C(Nc1ccsn1)[C@H]1CCOC1 1132956447 757865736 /nfs/dbraw/zinc/86/57/36/757865736.db2.gz KNLQAGRRWMDFSS-LURJTMIESA-N 0 0 198.247 1.118 10 0 ADAERN CC(C)=C(C)C(=O)Oc1cnn(C)c1 1128290450 757865744 /nfs/dbraw/zinc/86/57/44/757865744.db2.gz ICMUWPXLLJGARL-UHFFFAOYSA-N 0 0 194.234 1.682 10 0 ADAERN Cc1nn(C)c(C)c1[C@H]1CC(=O)[C@H]1C 88177361 573100545 /nfs/dbraw/zinc/10/05/45/573100545.db2.gz ZUUIXUHIEQOOGI-RCOVLWMOSA-N 0 0 192.262 1.729 10 0 ADAERN CC[C@@]1(NC(C)=O)CCSC1 238278695 573100546 /nfs/dbraw/zinc/10/05/46/573100546.db2.gz KHZDLTCYUCIIOB-MRVPVSSYSA-N 0 0 173.281 1.408 10 0 ADAERN CC(=O)Nc1nocc1C1CC1 1133280671 757865759 /nfs/dbraw/zinc/86/57/59/757865759.db2.gz GJEOYQBUUGSQAX-UHFFFAOYSA-N 0 0 166.180 1.510 10 0 ADAERN C[C@H](NC(=O)CC1CC1)C(F)F 1133034578 757865779 /nfs/dbraw/zinc/86/57/79/757865779.db2.gz DPISWNTZBUBMKN-YFKPBYRVSA-N 0 0 177.194 1.556 10 0 ADAERN Cc1cnc(F)cc1C(=O)N(C)C#N 1128274284 757865822 /nfs/dbraw/zinc/86/58/22/757865822.db2.gz BXACWTCFWTYMRF-UHFFFAOYSA-N 0 0 193.181 1.082 10 0 ADAERN CC(=O)Nc1cnc2c(C)cccn12 1130984528 757865873 /nfs/dbraw/zinc/86/58/73/757865873.db2.gz PGZHDLUBRBKROK-UHFFFAOYSA-N 0 0 189.218 1.601 10 0 ADAERN CCCCCCOCC(=O)N(C)C#N 1128270219 757865879 /nfs/dbraw/zinc/86/58/79/757865879.db2.gz DUBMGSHZTASNHH-UHFFFAOYSA-N 0 0 198.266 1.523 10 0 ADAERN CS/C=C\C(=O)NC(CF)CF 1129184371 757865895 /nfs/dbraw/zinc/86/58/95/757865895.db2.gz ATAFBVRRGXPGTL-IHWYPQMZSA-N 0 0 195.234 1.287 10 0 ADAERN O=C(CC1CC1)Nc1ccsn1 1132745443 757866062 /nfs/dbraw/zinc/86/60/62/757866062.db2.gz SRFXFPJYIIPXMC-UHFFFAOYSA-N 0 0 182.248 1.882 10 0 ADAERN COCCC(=O)Nc1ccsn1 1132956286 757866089 /nfs/dbraw/zinc/86/60/89/757866089.db2.gz DBNHAKRGQJEWNY-UHFFFAOYSA-N 0 0 186.236 1.118 10 0 ADAERN CC(C)n1ccc(C(=O)N(C)C#N)n1 1128270479 757866106 /nfs/dbraw/zinc/86/61/06/757866106.db2.gz PSMAPUKPYHXIOW-UHFFFAOYSA-N 0 0 192.222 1.017 10 0 ADAERN CC(C)(F)C(=O)Nc1ccsn1 1132747418 757866122 /nfs/dbraw/zinc/86/61/22/757866122.db2.gz OIVCXKZDLRYLEJ-UHFFFAOYSA-N 0 0 188.227 1.830 10 0 ADAERN CN(C#N)C(=O)CCc1ccoc1 1128270296 757866273 /nfs/dbraw/zinc/86/62/73/757866273.db2.gz IJUXQKOGINXEJU-UHFFFAOYSA-N 0 0 178.191 1.152 10 0 ADAERN Cc1cc(C(=O)N(C)C#N)sc1C 1128270536 757866309 /nfs/dbraw/zinc/86/63/09/757866309.db2.gz SHOJIVYHGGTQAP-UHFFFAOYSA-N 0 0 194.259 1.918 10 0 ADAERN CC(C)CCO[C@@H](C)C(=O)N(C)C#N 1128270330 757866351 /nfs/dbraw/zinc/86/63/51/757866351.db2.gz KCQZYIWJOHUVIK-VIFPVBQESA-N 0 0 198.266 1.377 10 0 ADAERN CN(C#N)C(=O)C(C1CC1)C1CC1 1128270573 757866389 /nfs/dbraw/zinc/86/63/89/757866389.db2.gz UCDAUFIDBISNRB-UHFFFAOYSA-N 0 0 178.235 1.362 10 0 ADAERN CC(C)CCO[C@H](C)C(=O)N(C)C#N 1128270329 757866522 /nfs/dbraw/zinc/86/65/22/757866522.db2.gz KCQZYIWJOHUVIK-SECBINFHSA-N 0 0 198.266 1.377 10 0 ADAERN C[C@@H](NC(=O)CC1CC1)C(F)F 1133034577 757866533 /nfs/dbraw/zinc/86/65/33/757866533.db2.gz DPISWNTZBUBMKN-RXMQYKEDSA-N 0 0 177.194 1.556 10 0 ADAERN CC1(C)[C@H](c2cccnc2)C[C@H]1O 88178974 573100566 /nfs/dbraw/zinc/10/05/66/573100566.db2.gz SDCVNEQCYSZBGE-VHSXEESVSA-N 0 0 177.247 1.956 10 0 ADAERN O=C(Nc1ccsn1)[C@@H]1CCOC1 1132956448 757866586 /nfs/dbraw/zinc/86/65/86/757866586.db2.gz KNLQAGRRWMDFSS-ZCFIWIBFSA-N 0 0 198.247 1.118 10 0 ADAERN O=C(N[C@@H]1CCCC[C@@H]1F)C1CC1 1132099196 757866782 /nfs/dbraw/zinc/86/67/82/757866782.db2.gz OMDZLJKOTGIUGK-DTWKUNHWSA-N 0 0 185.242 1.793 10 0 ADAERN CC1(C(=O)Nc2ccsn2)CC1 1132747662 757866964 /nfs/dbraw/zinc/86/69/64/757866964.db2.gz YCCPNNDJMORAOZ-UHFFFAOYSA-N 0 0 182.248 1.882 10 0 ADAERN C/C=C(\C)C(=O)Nc1ccc(F)nn1 1131425431 757867099 /nfs/dbraw/zinc/86/70/99/757867099.db2.gz AWROQLOFYJDBLU-ZZXKWVIFSA-N 0 0 195.197 1.520 10 0 ADAERN C[C@@H](C(=O)N(C)C#N)C(C)(C)C 1128270435 757867155 /nfs/dbraw/zinc/86/71/55/757867155.db2.gz OCMQXEYEINEQAZ-ZETCQYMHSA-N 0 0 168.240 1.608 10 0 ADAERN CSCCCCC(=O)N(C)C#N 1128270542 757867191 /nfs/dbraw/zinc/86/71/91/757867191.db2.gz SIOXDQROVMPUTH-UHFFFAOYSA-N 0 0 186.280 1.459 10 0 ADAERN CCO[C@H](CC(=O)N(C)C#N)C(C)C 1128270477 757867257 /nfs/dbraw/zinc/86/72/57/757867257.db2.gz PKPKUOUANLIGBR-SECBINFHSA-N 0 0 198.266 1.377 10 0 ADAERN O=C(Nc1ccsn1)C12CC(C1)C2 1132959743 757867343 /nfs/dbraw/zinc/86/73/43/757867343.db2.gz IPAJXEZQCGZKGV-UHFFFAOYSA-N 0 0 194.259 1.882 10 0 ADAERN O=C(Nc1ccsn1)[C@@H]1CCCO1 1132744781 757867353 /nfs/dbraw/zinc/86/73/53/757867353.db2.gz GHLFUKZOGISHOV-LURJTMIESA-N 0 0 198.247 1.261 10 0 ADAERN Cc1cc(C(=O)N(C)C#N)c(C)n1C 1128270320 757867391 /nfs/dbraw/zinc/86/73/91/757867391.db2.gz JQRRUNVVKVNDHV-UHFFFAOYSA-N 0 0 191.234 1.195 10 0 ADAERN C/C=C(\C)C(=O)Nc1nnn(C)c1C 1129696808 757867445 /nfs/dbraw/zinc/86/74/45/757867445.db2.gz GTVVWRLAIXWGOY-AATRIKPKSA-N 0 0 194.238 1.028 10 0 ADAERN O=Cc1ccoc1C1OCCO1 114692601 573106861 /nfs/dbraw/zinc/10/68/61/573106861.db2.gz CAGGLVAWUUHLEY-UHFFFAOYSA-N 0 0 168.148 1.138 10 0 ADAERN O=C(NC1CCCC1)c1n[nH]cc1F 1135547086 757868089 /nfs/dbraw/zinc/86/80/89/757868089.db2.gz PBSFCTJUKLQCLL-UHFFFAOYSA-N 0 0 197.213 1.221 10 0 ADAERN C=C/C=C\CC(=O)NC1CC1 1135428252 757868117 /nfs/dbraw/zinc/86/81/17/757868117.db2.gz NRKXKVIUGKUVBR-ARJAWSKDSA-N 0 0 151.209 1.397 10 0 ADAERN CO[C@@](C)(CO)Cc1ccccc1 257940891 573105652 /nfs/dbraw/zinc/10/56/52/573105652.db2.gz VAPCFLFGQSCYKR-LLVKDONJSA-N 0 0 180.247 1.627 10 0 ADAERN C=C/C=C\CC(=O)N(CC)CC 1135563235 757868148 /nfs/dbraw/zinc/86/81/48/757868148.db2.gz NEYNJUXAXBSILY-FPLPWBNLSA-N 0 0 167.252 1.987 10 0 ADAERN O=C(NC[C@@]12CCC[C@@H]1C2)[C@H]1C[C@@H]1F 1133975626 757868209 /nfs/dbraw/zinc/86/82/09/757868209.db2.gz MRHLEZZJTYDUMG-HJGDQZAQSA-N 0 0 197.253 1.651 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N(C)CC1CCC1 1134519396 757868232 /nfs/dbraw/zinc/86/82/32/757868232.db2.gz PRZCCFDXFAVGEO-NXEZZACHSA-N 0 0 197.278 1.280 10 0 ADAERN C=C/C=C/CC(=O)NC[C@H]1CCCO1 1135492807 757868245 /nfs/dbraw/zinc/86/82/45/757868245.db2.gz OESZLUZNPIIRPI-HMDXOVGESA-N 0 0 195.262 1.414 10 0 ADAERN C/C=C(/C)C(=O)N(C)c1ccnn1C 1135348655 757868252 /nfs/dbraw/zinc/86/82/52/757868252.db2.gz KOQNOBXXMISYQR-YVMONPNESA-N 0 0 193.250 1.349 10 0 ADAERN CC[C@H](C)NC(=O)CCCCCO 1135441359 757868323 /nfs/dbraw/zinc/86/83/23/757868323.db2.gz YOWPSBWULBDSBJ-VIFPVBQESA-N 0 0 187.283 1.454 10 0 ADAERN CC[C@H](C)C(=O)N(C)c1ccnn1C 1135166475 757868383 /nfs/dbraw/zinc/86/83/83/757868383.db2.gz IGBRGCPENVDBTI-QMMMGPOBSA-N 0 0 195.266 1.429 10 0 ADAERN CC(=O)CCC(C)(C)C(=O)NC1CC1 1135427707 757868392 /nfs/dbraw/zinc/86/83/92/757868392.db2.gz CYAAFARLIIHURU-UHFFFAOYSA-N 0 0 197.278 1.660 10 0 ADAERN CC(C)CCNC(=O)c1n[nH]cc1F 1135482931 757868424 /nfs/dbraw/zinc/86/84/24/757868424.db2.gz MDKSYIOQWLMVRE-UHFFFAOYSA-N 0 0 199.229 1.325 10 0 ADAERN CC(=O)N1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 1134315717 757868444 /nfs/dbraw/zinc/86/84/44/757868444.db2.gz VNUUJKZUWMKVJW-WHOHXGKFSA-N 0 0 191.274 1.677 10 0 ADAERN NC(=O)c1ccc2[nH]cc(C=O)c2c1 1135359493 757868588 /nfs/dbraw/zinc/86/85/88/757868588.db2.gz LCYLXZHPALZXBN-UHFFFAOYSA-N 0 0 188.186 1.079 10 0 ADAERN C=C/C=C\CC(=O)NC[C@@H]1CCCO1 1135492809 757868864 /nfs/dbraw/zinc/86/88/64/757868864.db2.gz OESZLUZNPIIRPI-XOULXFPDSA-N 0 0 195.262 1.414 10 0 ADAERN O=C(NC[C@@]12CCC[C@@H]1C2)[C@@H]1C[C@H]1F 1133975625 757868898 /nfs/dbraw/zinc/86/88/98/757868898.db2.gz MRHLEZZJTYDUMG-CDLYGTGVSA-N 0 0 197.253 1.651 10 0 ADAERN CCC(=O)N[C@H](CC)C(F)(F)F 1135384198 757868942 /nfs/dbraw/zinc/86/89/42/757868942.db2.gz QNWQQKQGBXVUGP-RXMQYKEDSA-N 0 0 183.173 1.854 10 0 ADAERN CC(=O)Nc1cnc(F)c(F)c1 1135100723 757869033 /nfs/dbraw/zinc/86/90/33/757869033.db2.gz NVUUUIVHCCUDTF-UHFFFAOYSA-N 0 0 172.134 1.318 10 0 ADAERN CC[C@H](COC)[C@H](C)O 85658701 573105673 /nfs/dbraw/zinc/10/56/73/573105673.db2.gz YDQZFHHSWMYDRJ-NKWVEPMBSA-N 0 0 132.203 1.040 10 0 ADAERN O=C(NC[C@@]12CCC[C@@H]1C2)[C@@H]1C[C@@H]1F 1133975628 757869086 /nfs/dbraw/zinc/86/90/86/757869086.db2.gz MRHLEZZJTYDUMG-REIXXSIJSA-N 0 0 197.253 1.651 10 0 ADAERN CCN1CCC[C@@H]1c1cc(C=O)n[nH]1 259329192 573105677 /nfs/dbraw/zinc/10/56/77/573105677.db2.gz SLZIFTXXTOTIAS-SNVBAGLBSA-N 0 0 193.250 1.379 10 0 ADAERN O=C(NC1CC1)C1(C(=O)C2CC2)CC1 1135428174 757869179 /nfs/dbraw/zinc/86/91/79/757869179.db2.gz KJEXYUHZSRJGGQ-UHFFFAOYSA-N 0 0 193.246 1.024 10 0 ADAERN CNC(=O)[C@H]1O[C@@H]1c1ccc(F)cc1 224822348 573105684 /nfs/dbraw/zinc/10/56/84/573105684.db2.gz GNGNDKGECHJNGB-BDAKNGLRSA-N 0 0 195.193 1.012 10 0 ADAERN CCO/C=C/C(=O)Nc1cccnc1 1135577912 757869487 /nfs/dbraw/zinc/86/94/87/757869487.db2.gz DXXSSROFUWHOMQ-FNORWQNLSA-N 0 0 192.218 1.570 10 0 ADAERN C=C/C=C/CC(=O)NC[C@@H]1CCCO1 1135492806 757869607 /nfs/dbraw/zinc/86/96/07/757869607.db2.gz OESZLUZNPIIRPI-FSIBCCDJSA-N 0 0 195.262 1.414 10 0 ADAERN CC[C@@H](C)NC(=O)CCCCCO 1135441358 757869688 /nfs/dbraw/zinc/86/96/88/757869688.db2.gz YOWPSBWULBDSBJ-SECBINFHSA-N 0 0 187.283 1.454 10 0 ADAERN CC[C@@H](C)C(=O)N(C)c1ccnn1C 1135166474 757869719 /nfs/dbraw/zinc/86/97/19/757869719.db2.gz IGBRGCPENVDBTI-MRVPVSSYSA-N 0 0 195.266 1.429 10 0 ADAERN C=C/C=C/CC(=O)N(CC)CC 1135563234 757869737 /nfs/dbraw/zinc/86/97/37/757869737.db2.gz NEYNJUXAXBSILY-BQYQJAHWSA-N 0 0 167.252 1.987 10 0 ADAERN C/C=C(\C)C(=O)N(C)c1ccnn1C 1135348653 757869873 /nfs/dbraw/zinc/86/98/73/757869873.db2.gz KOQNOBXXMISYQR-VMPITWQZSA-N 0 0 193.250 1.349 10 0 ADAERN O=C(NC[C@@]12CCC[C@@H]1C2)[C@H]1C[C@H]1F 1133975627 757869892 /nfs/dbraw/zinc/86/98/92/757869892.db2.gz MRHLEZZJTYDUMG-LOKLDPHHSA-N 0 0 197.253 1.651 10 0 ADAERN CN(C(=O)CCCF)c1ccnn1C 1135166396 757869908 /nfs/dbraw/zinc/86/99/08/757869908.db2.gz GHKHVOAAYVCOJJ-UHFFFAOYSA-N 0 0 199.229 1.133 10 0 ADAERN CC(C)NC(=O)Cc1ccnc(F)c1 1135431303 757870014 /nfs/dbraw/zinc/87/00/14/757870014.db2.gz BFHSHOFHWJFYNA-UHFFFAOYSA-N 0 0 196.225 1.288 10 0 ADAERN CC[C@@H](NC(C)=O)C(F)(F)F 1135205377 757870049 /nfs/dbraw/zinc/87/00/49/757870049.db2.gz UEMUEUJHFNUAOR-RXMQYKEDSA-N 0 0 169.146 1.463 10 0 ADAERN COCC(=O)Nc1cc(C(C)C)on1 1135190144 757870089 /nfs/dbraw/zinc/87/00/89/757870089.db2.gz AYJJZHFIQAZXHW-UHFFFAOYSA-N 0 0 198.222 1.383 10 0 ADAERN C=C/C=C/CC(=O)NC1CC1 1135428253 757870100 /nfs/dbraw/zinc/87/01/00/757870100.db2.gz NRKXKVIUGKUVBR-ONEGZZNKSA-N 0 0 151.209 1.397 10 0 ADAERN CCO/C=C\C(=O)Nc1cccnc1 1135577911 757870194 /nfs/dbraw/zinc/87/01/94/757870194.db2.gz DXXSSROFUWHOMQ-ALCCZGGFSA-N 0 0 192.218 1.570 10 0 ADAERN CC(=O)N[C@H](c1nc(C)no1)C(C)C 1135358994 757870291 /nfs/dbraw/zinc/87/02/91/757870291.db2.gz BXAAEIAUOAKHNY-QMMMGPOBSA-N 0 0 197.238 1.211 10 0 ADAERN CCOC(=O)C(F)=C(N)CC 238284796 573105726 /nfs/dbraw/zinc/10/57/26/573105726.db2.gz HLDXXMTZLPIORK-AATRIKPKSA-N 0 0 161.176 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/nfs/dbraw/zinc/10/95/37/573109537.db2.gz XPTNPJXRZZHSDT-BYPYZUCNSA-N 0 0 133.216 1.045 10 0 ADAERN CC[C@H](COC)C(C)=O 85662317 573109538 /nfs/dbraw/zinc/10/95/38/573109538.db2.gz ODIDJUCTRAACLN-SSDOTTSWSA-N 0 0 130.187 1.248 10 0 ADAERN CCC[C@@H]1O[C@@H](C)CC1=O 238279552 573109550 /nfs/dbraw/zinc/10/95/50/573109550.db2.gz OTNYWNCCMAOYKA-XPUUQOCRSA-N 0 0 142.198 1.533 10 0 ADAERN Cc1cc(C)c(C=O)cc1C 256873436 573109554 /nfs/dbraw/zinc/10/95/54/573109554.db2.gz XIZDXPMUNPGNLN-UHFFFAOYSA-N 0 0 148.205 1.010 10 0 ADAERN Cc1cc(O)cc(-c2cc(N)on2)c1 257953836 573109558 /nfs/dbraw/zinc/10/95/58/573109558.db2.gz BCSSLRDAWQGVLX-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN Cc1cc(CN2CC[C@@H]2C)nn1C 1138826721 757887050 /nfs/dbraw/zinc/88/70/50/757887050.db2.gz QUGFVHKDVXISML-QMMMGPOBSA-N 0 0 179.267 1.323 10 0 ADAERN OCC1(C2(CO)CCC2)CCC1 141965703 573109575 /nfs/dbraw/zinc/10/95/75/573109575.db2.gz DRZNIDUNEHFJJR-UHFFFAOYSA-N 0 0 170.252 1.312 10 0 ADAERN Cc1cc(N)nc([C@@H]2CCCOC2)n1 82580907 573109581 /nfs/dbraw/zinc/10/95/81/573109581.db2.gz BBUMNDZTCIIBDF-MRVPVSSYSA-N 0 0 193.250 1.261 10 0 ADAERN CC[C@H]1C(=S)NC(=O)C1(C)C 238285004 573109586 /nfs/dbraw/zinc/10/95/86/573109586.db2.gz CZFHRBMHCZIMSC-YFKPBYRVSA-N 0 0 171.265 1.496 10 0 ADAERN CCC[C@@H]1O[C@H](O)C[C@@H]1C 238280018 573109610 /nfs/dbraw/zinc/10/96/10/573109610.db2.gz XVPGRCIZPBXAPY-FXQIFTODSA-N 0 0 144.214 1.530 10 0 ADAERN CC(C)CC[C@H]([NH2+]C(C)C)C(=O)[O-] 77273803 573109612 /nfs/dbraw/zinc/10/96/12/573109612.db2.gz PVCFPHVTWHCLRU-VIFPVBQESA-N 0 0 187.283 1.874 10 0 ADAERN Cc1scnc1[C@H](C)O 114721673 573112393 /nfs/dbraw/zinc/11/23/93/573112393.db2.gz CGJCGNBLICEEPH-BYPYZUCNSA-N 0 0 143.211 1.505 10 0 ADAERN CSCCOc1ccc(C)nc1N 128692298 573112394 /nfs/dbraw/zinc/11/23/94/573112394.db2.gz QOADOEUEPFYKSR-UHFFFAOYSA-N 0 0 198.291 1.714 10 0 ADAERN Cc1cc(N)n(C[C@@H]2CCCOC2)n1 82581268 573112412 /nfs/dbraw/zinc/11/24/12/573112412.db2.gz OYPFQNWDBUAGPB-VIFPVBQESA-N 0 0 195.266 1.200 10 0 ADAERN Cc1ccc(CN(C)C2COC2)cn1 1139932809 757888779 /nfs/dbraw/zinc/88/87/79/757888779.db2.gz QJSNPGYQVCVEND-UHFFFAOYSA-N 0 0 192.262 1.221 10 0 ADAERN c1nscc1OC[C@@H]1CCCO1 258528414 573112420 /nfs/dbraw/zinc/11/24/20/573112420.db2.gz NLCKSVMZKBSMOR-ZETCQYMHSA-N 0 0 185.248 1.701 10 0 ADAERN F[C@H]1CCN(Cc2cccnn2)C1 1139969678 757888916 /nfs/dbraw/zinc/88/89/16/757888916.db2.gz DKSKUAOQVRTACF-QMMMGPOBSA-N 0 0 181.214 1.020 10 0 ADAERN COc1ccncc1CN1CC=CC1 1139606099 757889086 /nfs/dbraw/zinc/88/90/86/757889086.db2.gz BEMZCHZTCYYTHE-UHFFFAOYSA-N 0 0 190.246 1.462 10 0 ADAERN C[C@@H]1CCN1Cc1cccnn1 1139969819 757889091 /nfs/dbraw/zinc/88/90/91/757889091.db2.gz FUMCVMOIBSJTTA-MRVPVSSYSA-N 0 0 163.224 1.071 10 0 ADAERN C[C@@H]1CCN1Cc1ccnc(F)c1 1139830999 757889115 /nfs/dbraw/zinc/88/91/15/757889115.db2.gz OVLUZNQGRPQLBA-MRVPVSSYSA-N 0 0 180.226 1.815 10 0 ADAERN CCc1nc(C(C)=O)[nH]c1C 258529002 573112439 /nfs/dbraw/zinc/11/24/39/573112439.db2.gz IDXXLFDSKDJNSA-UHFFFAOYSA-N 0 0 152.197 1.483 10 0 ADAERN COc1ccncc1CN1CC(F)C1 1139605883 757889458 /nfs/dbraw/zinc/88/94/58/757889458.db2.gz JUJNEMUMKLUPPJ-UHFFFAOYSA-N 0 0 196.225 1.244 10 0 ADAERN COc1ccncc1CN1CCCO1 1139606682 757889602 /nfs/dbraw/zinc/88/96/02/757889602.db2.gz MEGCCDAVYCXZKF-UHFFFAOYSA-N 0 0 194.234 1.228 10 0 ADAERN COc1ccncc1CN1CC[C@@H]1C 1139606557 757889670 /nfs/dbraw/zinc/88/96/70/757889670.db2.gz JZFQWSMLBAITFI-VIFPVBQESA-N 0 0 192.262 1.684 10 0 ADAERN COc1ccncc1CN(C)C1CC1 1139606103 757889850 /nfs/dbraw/zinc/88/98/50/757889850.db2.gz BKMUJYDZRRFXHE-UHFFFAOYSA-N 0 0 192.262 1.684 10 0 ADAERN C[C@@H]1CN(Cc2cccnn2)C[C@@H]1F 1139970323 757889883 /nfs/dbraw/zinc/88/98/83/757889883.db2.gz SOIXUOUUOTWYJG-SCZZXKLOSA-N 0 0 195.241 1.266 10 0 ADAERN c1cnnc(CN2CCCCO2)c1 1139969967 757889920 /nfs/dbraw/zinc/88/99/20/757889920.db2.gz IYQHHAPJESSJOZ-UHFFFAOYSA-N 0 0 179.223 1.004 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH+]1CC=CC1 114701595 573112470 /nfs/dbraw/zinc/11/24/70/573112470.db2.gz ZMGANYHMIXRHFW-NXEZZACHSA-N 0 0 195.262 1.359 10 0 ADAERN Cc1ccc(CN2CC(F)(F)C2)cn1 1139927173 757889975 /nfs/dbraw/zinc/88/99/75/757889975.db2.gz LMFQQLYBCWMZCF-UHFFFAOYSA-N 0 0 198.216 1.841 10 0 ADAERN FC[C@H]1CCCN1Cc1cccnn1 1139975381 757893161 /nfs/dbraw/zinc/89/31/61/757893161.db2.gz CYJFUYZRWQDMSS-SNVBAGLBSA-N 0 0 195.241 1.411 10 0 ADAERN COC(=N)[C@H]1CCCOC1 82580622 573112477 /nfs/dbraw/zinc/11/24/77/573112477.db2.gz GWBUGWLLVDVHBD-LURJTMIESA-N 0 0 143.186 1.037 10 0 ADAERN C[C@@H]1C[C@@H](F)CN1Cc1cccnn1 1139969958 757890258 /nfs/dbraw/zinc/89/02/58/757890258.db2.gz IHYLCDYGHJSGME-RKDXNWHRSA-N 0 0 195.241 1.409 10 0 ADAERN CC[C@@H]1[NH2+]CCCC[C@@H]1CC(=O)[O-] 238286880 573112487 /nfs/dbraw/zinc/11/24/87/573112487.db2.gz KZZKNKDDTAMUHL-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN COc1ncc(CN2CC[C@@H]2C)s1 1139812796 757890470 /nfs/dbraw/zinc/89/04/70/757890470.db2.gz CGBQENQQLZWEEO-ZETCQYMHSA-N 0 0 198.291 1.746 10 0 ADAERN C[C@H]1CCN1Cc1cccnn1 1139969820 757890836 /nfs/dbraw/zinc/89/08/36/757890836.db2.gz FUMCVMOIBSJTTA-QMMMGPOBSA-N 0 0 163.224 1.071 10 0 ADAERN COc1ccncc1CN(C)CCF 1139610669 757890881 /nfs/dbraw/zinc/89/08/81/757890881.db2.gz GIUGNRCPRFCSDM-UHFFFAOYSA-N 0 0 198.241 1.492 10 0 ADAERN CC[C@H]1C(C(C)C)=CN[C@]1(C)O 238285116 573112517 /nfs/dbraw/zinc/11/25/17/573112517.db2.gz IPNFSRCCCXEKKD-VHSXEESVSA-N 0 0 169.268 1.864 10 0 ADAERN C[C@@H]1C[C@H](F)CN1Cc1cccnn1 1139969957 757891018 /nfs/dbraw/zinc/89/10/18/757891018.db2.gz IHYLCDYGHJSGME-BDAKNGLRSA-N 0 0 195.241 1.409 10 0 ADAERN Cc1ccc(CN2CC(C)(F)C2)cn1 1139929107 757891255 /nfs/dbraw/zinc/89/12/55/757891255.db2.gz OFHYOLOSLAFJME-UHFFFAOYSA-N 0 0 194.253 1.934 10 0 ADAERN COc1ccncc1CN1CC[C@H]1C 1139606555 757891349 /nfs/dbraw/zinc/89/13/49/757891349.db2.gz JZFQWSMLBAITFI-SECBINFHSA-N 0 0 192.262 1.684 10 0 ADAERN COc1ccncc1CN1CC(C)C1 1139606165 757891365 /nfs/dbraw/zinc/89/13/65/757891365.db2.gz CWQXMDVUVAAFNP-UHFFFAOYSA-N 0 0 192.262 1.542 10 0 ADAERN COc1ncc(CN2CC[C@H]2C)s1 1139812795 757891414 /nfs/dbraw/zinc/89/14/14/757891414.db2.gz CGBQENQQLZWEEO-SSDOTTSWSA-N 0 0 198.291 1.746 10 0 ADAERN C[C@H]1CCN1Cc1ccnc(F)c1 1139831001 757891665 /nfs/dbraw/zinc/89/16/65/757891665.db2.gz OVLUZNQGRPQLBA-QMMMGPOBSA-N 0 0 180.226 1.815 10 0 ADAERN F[C@@H]1CCN(Cc2cccnn2)C1 1139969677 757891678 /nfs/dbraw/zinc/89/16/78/757891678.db2.gz DKSKUAOQVRTACF-MRVPVSSYSA-N 0 0 181.214 1.020 10 0 ADAERN CC[C@H]1CC(=O)CC(C)(C)O1 238286921 573112559 /nfs/dbraw/zinc/11/25/59/573112559.db2.gz LHPUUAYAIDZXTP-QMMMGPOBSA-N 0 0 156.225 1.923 10 0 ADAERN CC1(F)CN(Cc2cccnn2)C1 1139969966 757891971 /nfs/dbraw/zinc/89/19/71/757891971.db2.gz IXLWVASEPONWRE-UHFFFAOYSA-N 0 0 181.214 1.020 10 0 ADAERN CCc1c(C)[nH]c(=O)c2c1CCC2 238286573 573112573 /nfs/dbraw/zinc/11/25/73/573112573.db2.gz LPCARHWFKAPKQU-UHFFFAOYSA-N 0 0 177.247 1.734 10 0 ADAERN Cc1ccc(CN2CCCCO2)cn1 1139928835 757892264 /nfs/dbraw/zinc/89/22/64/757892264.db2.gz FCCLBBGULQTXKC-UHFFFAOYSA-N 0 0 192.262 1.917 10 0 ADAERN COC(=O)C1=C(N)CCC(C)(C)C1 114718162 573112578 /nfs/dbraw/zinc/11/25/78/573112578.db2.gz NJZZIESNDSLAIK-UHFFFAOYSA-N 0 0 183.251 1.582 10 0 ADAERN CCOc1ccc(N)c(C(C)(C)O)c1 238285831 573112592 /nfs/dbraw/zinc/11/25/92/573112592.db2.gz DXWJXTGEAONFJA-UHFFFAOYSA-N 0 0 195.262 1.895 10 0 ADAERN C[C@@H](CNC(=O)N(C)C)C(F)(F)F 308264491 573112595 /nfs/dbraw/zinc/11/25/95/573112595.db2.gz PCMOLXPOCIUXIE-YFKPBYRVSA-N 0 0 198.188 1.456 10 0 ADAERN CC1(C)CN(Cc2ccnnc2)C1 1139980551 757892885 /nfs/dbraw/zinc/89/28/85/757892885.db2.gz SHPMXCQSNWPJTF-UHFFFAOYSA-N 0 0 177.251 1.318 10 0 ADAERN c1cc(CN2CCCCO2)cnn1 1139980082 757892906 /nfs/dbraw/zinc/89/29/06/757892906.db2.gz IDDHGYRXSJBSSX-UHFFFAOYSA-N 0 0 179.223 1.004 10 0 ADAERN O=C1CNc2ccc(CO)cc2S1 259332388 573112606 /nfs/dbraw/zinc/11/26/06/573112606.db2.gz SOTFJJUXWISCSR-UHFFFAOYSA-N 0 0 195.243 1.223 10 0 ADAERN CC1(F)CN(Cc2ccnnc2)C1 1139981968 757893121 /nfs/dbraw/zinc/89/31/21/757893121.db2.gz WSRVZLQAOKPFHR-UHFFFAOYSA-N 0 0 181.214 1.020 10 0 ADAERN F[C@H]1CCN(Cc2ccnnc2)C1 1139981950 757893206 /nfs/dbraw/zinc/89/32/06/757893206.db2.gz WLDDEKMBFYJYEZ-VIFPVBQESA-N 0 0 181.214 1.020 10 0 ADAERN F[C@@H]1CCN(Cc2ccnnc2)C1 1139981949 757893513 /nfs/dbraw/zinc/89/35/13/757893513.db2.gz WLDDEKMBFYJYEZ-SECBINFHSA-N 0 0 181.214 1.020 10 0 ADAERN FC(F)C1CN(Cc2cccnn2)C1 1139976272 757893939 /nfs/dbraw/zinc/89/39/39/757893939.db2.gz WQSJOAURKJBJFS-UHFFFAOYSA-N 0 0 199.204 1.174 10 0 ADAERN CCOc1ccc2c(n1)CCC2 238286683 573112653 /nfs/dbraw/zinc/11/26/53/573112653.db2.gz JGUNURWEHXEVBB-UHFFFAOYSA-N 0 0 163.220 1.969 10 0 ADAERN C/C=C\CCCNC(C)=O 212102117 573112656 /nfs/dbraw/zinc/11/26/56/573112656.db2.gz RUKHOEZYOKUPTA-ARJAWSKDSA-N 0 0 141.214 1.479 10 0 ADAERN CCSC[C@H]1CC[C@H](O)OC1 238286058 573112658 /nfs/dbraw/zinc/11/26/58/573112658.db2.gz DUZBZSAHYCYHQM-JGVFFNPUSA-N 0 0 176.281 1.485 10 0 ADAERN CCc1cc(=O)[nH]n1CC 258528330 573112662 /nfs/dbraw/zinc/11/26/62/573112662.db2.gz NDHHVECKQNKAHJ-UHFFFAOYSA-N 0 0 140.186 1.171 10 0 ADAERN CN(Cc1ccnnc1)CC(F)F 1139987588 757894485 /nfs/dbraw/zinc/89/44/85/757894485.db2.gz YWVDNHFHQVFRMW-UHFFFAOYSA-N 0 0 187.193 1.174 10 0 ADAERN CCSC[C@H]1CC[C@@H](O)OC1 238286039 573112680 /nfs/dbraw/zinc/11/26/80/573112680.db2.gz DUZBZSAHYCYHQM-YUMQZZPRSA-N 0 0 176.281 1.485 10 0 ADAERN CC[C@@H]1[NH2+]CCC[C@H]1CC(=O)[O-] 238287000 573113626 /nfs/dbraw/zinc/11/36/26/573113626.db2.gz RTQFUCOGMKOQRP-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN CC(C)SCC(=O)c1cn(C)nn1 308261813 573113628 /nfs/dbraw/zinc/11/36/28/573113628.db2.gz MVOBCXNSUWRJKX-UHFFFAOYSA-N 0 0 199.279 1.139 10 0 ADAERN C/C=C(/C)C(C)(C)C(N)=O 104645894 573113637 /nfs/dbraw/zinc/11/36/37/573113637.db2.gz RREWPROFDQGUJR-WAYWQWQTSA-N 0 0 141.214 1.464 10 0 ADAERN c1cc(CN2CCSCC2)cnn1 1139981757 757896222 /nfs/dbraw/zinc/89/62/22/757896222.db2.gz RJCLKRUCQNWLMI-UHFFFAOYSA-N 0 0 195.291 1.025 10 0 ADAERN FC[C@H]1CCCN1Cc1ccncn1 1140351184 757896822 /nfs/dbraw/zinc/89/68/22/757896822.db2.gz UMHQNSAAFGSCHP-SNVBAGLBSA-N 0 0 195.241 1.411 10 0 ADAERN C=C/C=C\CC(=O)N1CCCCN1 1140203816 757896847 /nfs/dbraw/zinc/89/68/47/757896847.db2.gz PRBFUQKFSSQROK-ARJAWSKDSA-N 0 0 180.251 1.246 10 0 ADAERN CC1(F)CN(Cc2ccncn2)C1 1140346562 757896929 /nfs/dbraw/zinc/89/69/29/757896929.db2.gz SCSRZCZIDAKLJT-UHFFFAOYSA-N 0 0 181.214 1.020 10 0 ADAERN C[C@H]1CCN1Cc1ccncn1 1140345036 757897009 /nfs/dbraw/zinc/89/70/09/757897009.db2.gz GOWWNFURUFFEFU-QMMMGPOBSA-N 0 0 163.224 1.071 10 0 ADAERN Cc1ncn(C(C)C)c1CO 114721675 573113674 /nfs/dbraw/zinc/11/36/74/573113674.db2.gz XXHGFDLPASUBMI-UHFFFAOYSA-N 0 0 154.213 1.265 10 0 ADAERN F[C@@H]1CCN(Cc2ccncn2)C1 1140346571 757897137 /nfs/dbraw/zinc/89/71/37/757897137.db2.gz SPNUBHRLGKZBJH-MRVPVSSYSA-N 0 0 181.214 1.020 10 0 ADAERN C[C@H]1CCN1Cc1cccc(F)n1 1140131839 757897306 /nfs/dbraw/zinc/89/73/06/757897306.db2.gz WAKHDMRQVQCPHA-QMMMGPOBSA-N 0 0 180.226 1.815 10 0 ADAERN FC(F)C1CN(Cc2ccncn2)C1 1140349451 757898076 /nfs/dbraw/zinc/89/80/76/757898076.db2.gz PORZUCWTVPXBNC-UHFFFAOYSA-N 0 0 199.204 1.174 10 0 ADAERN C[C@@H]1CCN1Cc1ccncn1 1140345035 757898382 /nfs/dbraw/zinc/89/83/82/757898382.db2.gz GOWWNFURUFFEFU-MRVPVSSYSA-N 0 0 163.224 1.071 10 0 ADAERN C[C@H](O)C[C@@H](C)CN[C@H](C)C(F)F 308261489 573113723 /nfs/dbraw/zinc/11/37/23/573113723.db2.gz NNGMWGQSZPWMSI-GJMOJQLCSA-N 0 0 195.253 1.637 10 0 ADAERN CC1(C)CN(Cc2ccncn2)C1 1140347035 757899098 /nfs/dbraw/zinc/89/90/98/757899098.db2.gz WKOAMCJTLFSYMS-UHFFFAOYSA-N 0 0 177.251 1.318 10 0 ADAERN c1cc(CN2CC3(CCC3)C2)ncn1 1140342932 757899113 /nfs/dbraw/zinc/89/91/13/757899113.db2.gz FBCCFNNNIZYBSM-UHFFFAOYSA-N 0 0 189.262 1.463 10 0 ADAERN c1cc(CN2CCCCO2)ncn1 1140346556 757899238 /nfs/dbraw/zinc/89/92/38/757899238.db2.gz RZMUHCUNFIJNJR-UHFFFAOYSA-N 0 0 179.223 1.004 10 0 ADAERN C=C/C=C/CC(=O)N(CC)CCOC 1140340714 757899368 /nfs/dbraw/zinc/89/93/68/757899368.db2.gz OPMAKYDATRXDIU-VOTSOKGWSA-N 0 0 197.278 1.614 10 0 ADAERN F[C@H]1CCN(Cc2ccncn2)C1 1140346949 757899486 /nfs/dbraw/zinc/89/94/86/757899486.db2.gz SPNUBHRLGKZBJH-QMMMGPOBSA-N 0 0 181.214 1.020 10 0 ADAERN C[C@@H]1CCN1Cc1cccc(F)n1 1140131838 757900067 /nfs/dbraw/zinc/90/00/67/757900067.db2.gz WAKHDMRQVQCPHA-MRVPVSSYSA-N 0 0 180.226 1.815 10 0 ADAERN C=C/C=C/CC(=O)N1CCCCN1 1140203817 757900172 /nfs/dbraw/zinc/90/01/72/757900172.db2.gz PRBFUQKFSSQROK-ONEGZZNKSA-N 0 0 180.251 1.246 10 0 ADAERN C[C@@H]1CN(Cc2ccncn2)C[C@@H]1F 1140344521 757900492 /nfs/dbraw/zinc/90/04/92/757900492.db2.gz CSDOWMAGGVHXLF-SCZZXKLOSA-N 0 0 195.241 1.266 10 0 ADAERN C=C/C=C\CC(=O)N(CC)CCOC 1140340713 757900529 /nfs/dbraw/zinc/90/05/29/757900529.db2.gz OPMAKYDATRXDIU-SREVYHEPSA-N 0 0 197.278 1.614 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+]1CC=CC1 128732499 573117754 /nfs/dbraw/zinc/11/77/54/573117754.db2.gz DDHOCLRUUADXTC-VIFPVBQESA-N 0 0 183.251 1.502 10 0 ADAERN C[C@@H]1C[C@@H](F)CN1Cc1ccncn1 1140344474 757901906 /nfs/dbraw/zinc/90/19/06/757901906.db2.gz AITSITCNJXXFJR-RKDXNWHRSA-N 0 0 195.241 1.409 10 0 ADAERN CC/C=C/[C@H](O)COCC 238287479 573117789 /nfs/dbraw/zinc/11/77/89/573117789.db2.gz BACGJAKVSPJTTJ-GJIOHYHPSA-N 0 0 144.214 1.350 10 0 ADAERN CC[C@@H](C)c1noc(CO)n1 82583390 573117798 /nfs/dbraw/zinc/11/77/98/573117798.db2.gz QAZSCULDOVSLJD-RXMQYKEDSA-N 0 0 156.185 1.075 10 0 ADAERN C[C@@H]1C[C@H](F)CN1Cc1ccncn1 1140344473 757902851 /nfs/dbraw/zinc/90/28/51/757902851.db2.gz AITSITCNJXXFJR-BDAKNGLRSA-N 0 0 195.241 1.409 10 0 ADAERN CCC1(CO)COP(C)(=O)OC1 114770175 573117818 /nfs/dbraw/zinc/11/78/18/573117818.db2.gz MMLDMUBBKAHKOA-UHFFFAOYSA-N 0 0 194.167 1.245 10 0 ADAERN C[C@H](O)C(=O)OCC1(C)CCCC1 308273787 573117869 /nfs/dbraw/zinc/11/78/69/573117869.db2.gz UFWFQUDLCJOHOV-QMMMGPOBSA-N 0 0 186.251 1.491 10 0 ADAERN O[C@H](C1CCC1)C(F)(F)F 85703231 573120502 /nfs/dbraw/zinc/12/05/02/573120502.db2.gz TWHKXEJOKZZYTK-RXMQYKEDSA-N 0 0 154.131 1.710 10 0 ADAERN Cc1ccc(C2(O)CC2)cc1N 259333549 573120505 /nfs/dbraw/zinc/12/05/05/573120505.db2.gz FFZXSBYLUFXQIP-UHFFFAOYSA-N 0 0 163.220 1.559 10 0 ADAERN COc1nccc(CN2CC[C@H]2C)n1 1140690783 757905130 /nfs/dbraw/zinc/90/51/30/757905130.db2.gz HNHCHQVKUDEZQC-MRVPVSSYSA-N 0 0 193.250 1.079 10 0 ADAERN O=C1OCC[C@@H]1Nc1ccccc1 144073308 573120530 /nfs/dbraw/zinc/12/05/30/573120530.db2.gz MHAKUEQWKCWLJY-VIFPVBQESA-N 0 0 177.203 1.414 10 0 ADAERN OC1(c2ccncc2Cl)CC1 85705021 573120570 /nfs/dbraw/zinc/12/05/70/573120570.db2.gz FGRQUVZMQKOBCI-UHFFFAOYSA-N 0 0 169.611 1.716 10 0 ADAERN C[NH2+][C@@H](Cc1sccc1C)C(=O)[O-] 259331364 573120576 /nfs/dbraw/zinc/12/05/76/573120576.db2.gz LFCKACMXKHLWTK-ZETCQYMHSA-N 0 0 199.275 1.272 10 0 ADAERN Cc1ccc([C@H](C)[NH3+])c(C=O)c1 257947183 573121637 /nfs/dbraw/zinc/12/16/37/573121637.db2.gz FEZDIMQBXIILSY-QMMMGPOBSA-N 0 0 163.220 1.827 10 0 ADAERN C[C@@H](O)[C@@H]1CNc2cccc(F)c21 257948277 573121647 /nfs/dbraw/zinc/12/16/47/573121647.db2.gz FARCITNIZLANBZ-RQJHMYQMSA-N 0 0 181.210 1.716 10 0 ADAERN CCC[C@H]1C[C@@H](C(N)=S)CCO1 238281052 573121682 /nfs/dbraw/zinc/12/16/82/573121682.db2.gz JFLQSXFRUZSVGI-YUMQZZPRSA-N 0 0 187.308 1.868 10 0 ADAERN CC(C)[C@H](C[C@@H]1CCC[NH2+]C1)C(=O)[O-] 258233304 573121691 /nfs/dbraw/zinc/12/16/91/573121691.db2.gz ZRGSESHBCXUPML-UWVGGRQHSA-N 0 0 199.294 1.733 10 0 ADAERN CCc1ccc2c(c1)C(=O)COC2 238288634 573121695 /nfs/dbraw/zinc/12/16/95/573121695.db2.gz MQHWRZKZVQYEPB-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN C[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)C(=O)[O-] 88425567 573121742 /nfs/dbraw/zinc/12/17/42/573121742.db2.gz SMBJMFPENLOEPI-UYXSQOIJSA-N 0 0 181.235 1.014 10 0 ADAERN COc1nccc(CN2CC[C@@H]2C)n1 1140690784 757909357 /nfs/dbraw/zinc/90/93/57/757909357.db2.gz HNHCHQVKUDEZQC-QMMMGPOBSA-N 0 0 193.250 1.079 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(O)cc1C(=O)[O-] 238280920 573121784 /nfs/dbraw/zinc/12/17/84/573121784.db2.gz MXOTVWYFMFTDOD-SECBINFHSA-N 0 0 195.218 1.500 10 0 ADAERN CC(C)[C@@H](C[C@H]1CCC[NH2+]C1)C(=O)[O-] 258233302 573121787 /nfs/dbraw/zinc/12/17/87/573121787.db2.gz ZRGSESHBCXUPML-NXEZZACHSA-N 0 0 199.294 1.733 10 0 ADAERN C[C@H](CO)CNc1cccc(F)n1 88394248 573121792 /nfs/dbraw/zinc/12/17/92/573121792.db2.gz RNFUTDMECIPJKN-ZETCQYMHSA-N 0 0 184.214 1.261 10 0 ADAERN CC1(C)C(c2nnc(N)o2)C1(C)C 85709486 573121793 /nfs/dbraw/zinc/12/17/93/573121793.db2.gz NXKUFCACKUZGBW-UHFFFAOYSA-N 0 0 181.239 1.801 10 0 ADAERN CCc1nc(SC)cc(=O)[nH]1 238280715 573121888 /nfs/dbraw/zinc/12/18/88/573121888.db2.gz OBBKAJYLERVPCQ-UHFFFAOYSA-N 0 0 170.237 1.054 10 0 ADAERN CN1C[C@@H](CON)c2cc(F)ccc21 257948102 573121899 /nfs/dbraw/zinc/12/18/99/573121899.db2.gz DZPWMYPALCTFQN-ZETCQYMHSA-N 0 0 196.225 1.249 10 0 ADAERN CN(Cc1ncon1)C1CCC1 585158597 573121907 /nfs/dbraw/zinc/12/19/07/573121907.db2.gz KWEPRLHDWCVCAL-UHFFFAOYSA-N 0 0 167.212 1.054 10 0 ADAERN CCNC(=[NH2+])c1ccccc1[S-] 238280684 573121910 /nfs/dbraw/zinc/12/19/10/573121910.db2.gz CIYITUDDPUFIHE-UHFFFAOYSA-N 0 0 180.276 1.910 10 0 ADAERN Cc1cc(O)cc(C)c1CON 257948727 573121928 /nfs/dbraw/zinc/12/19/28/573121928.db2.gz FIRRAZCCVMDTKX-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN CN(C)c1ccc(O)c(C(C)(C)O)c1 257949558 573125485 /nfs/dbraw/zinc/12/54/85/573125485.db2.gz ASLYVQSQMDKYQG-UHFFFAOYSA-N 0 0 195.262 1.686 10 0 ADAERN Cc1csc(-n2cccn2)n1 82615566 573125516 /nfs/dbraw/zinc/12/55/16/573125516.db2.gz SPIKEGWIZHIMAY-UHFFFAOYSA-N 0 0 165.221 1.637 10 0 ADAERN c1csc(NCc2csnn2)n1 85733827 573125522 /nfs/dbraw/zinc/12/55/22/573125522.db2.gz RQKOVQNGEOREOK-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN CCO[C@H](C)C/C=C/CO 238280831 573125575 /nfs/dbraw/zinc/12/55/75/573125575.db2.gz LWHBIWOSGUQRDS-WTSVBCDHSA-N 0 0 144.214 1.350 10 0 ADAERN C[C@@H](O)c1cccc(-n2nccn2)c1 257949571 573125577 /nfs/dbraw/zinc/12/55/77/573125577.db2.gz ASSMWOBQPNTRKE-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN COCCC1(NC(C)=O)CCCC1 308271976 573128365 /nfs/dbraw/zinc/12/83/65/573128365.db2.gz SMMRYHIDOPDORL-UHFFFAOYSA-N 0 0 185.267 1.472 10 0 ADAERN O=C1Cc2cc(O)c(Cl)cc2N1 257950251 573128366 /nfs/dbraw/zinc/12/83/66/573128366.db2.gz SFPARLKJSZXOHE-UHFFFAOYSA-N 0 0 183.594 1.540 10 0 ADAERN c1cnn(-c2ncnc3c2CCC3)c1 82615561 573128390 /nfs/dbraw/zinc/12/83/90/573128390.db2.gz LVKLKYYOOQHENY-UHFFFAOYSA-N 0 0 186.218 1.151 10 0 ADAERN COC(CNc1nccs1)OC 85733039 573128392 /nfs/dbraw/zinc/12/83/92/573128392.db2.gz ANWMDPLDRHJLNW-UHFFFAOYSA-N 0 0 188.252 1.174 10 0 ADAERN O=C1CCC2(CCCC2)CO1 258533989 573128399 /nfs/dbraw/zinc/12/83/99/573128399.db2.gz NSMNDNDIBVIYIU-UHFFFAOYSA-N 0 0 154.209 1.884 10 0 ADAERN Cc1nccn1Cc1ccco1 82615271 573128419 /nfs/dbraw/zinc/12/84/19/573128419.db2.gz VGEHOBLRYGKKSQ-UHFFFAOYSA-N 0 0 162.192 1.833 10 0 ADAERN CCc1nccn1-c1ccc(C)nn1 82615644 573128426 /nfs/dbraw/zinc/12/84/26/573128426.db2.gz VAYHEXVRHPNYSQ-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN Cc1cccnc1-n1ccnc1C 82615598 573129303 /nfs/dbraw/zinc/12/93/03/573129303.db2.gz LDTWHXYTIOMKOM-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CC1(CCN[C@@H]2CCOC2=O)CC1 308278098 573134873 /nfs/dbraw/zinc/13/48/73/573134873.db2.gz VZXPAKWQWULLRT-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H]1C(=O)CCC[C@]1(C)O 238283983 573134877 /nfs/dbraw/zinc/13/48/77/573134877.db2.gz UIHFYLIFXSRVLU-CBAPKCEASA-N 0 0 156.225 1.517 10 0 ADAERN CC[C@](C)(C(C)=O)[NH+]1CCCC1 85748536 573134884 /nfs/dbraw/zinc/13/48/84/573134884.db2.gz QVXIJGHZIBNAFP-SNVBAGLBSA-N 0 0 169.268 1.840 10 0 ADAERN COc1ccc(/C=C(\[NH3+])C(=O)[O-])cc1 308278911 573134890 /nfs/dbraw/zinc/13/48/90/573134890.db2.gz VBLXRBFONPGLBL-TWGQIWQCSA-N 0 0 193.202 1.079 10 0 ADAERN CC(C)c1ccc(C=O)c(=O)c(O)c1 141965323 573139352 /nfs/dbraw/zinc/13/93/52/573139352.db2.gz BNQXFOYRBZYVNL-UHFFFAOYSA-N 0 0 192.214 1.688 10 0 ADAERN CCc1cn2cc(CO)sc2n1 238299364 573139364 /nfs/dbraw/zinc/13/93/64/573139364.db2.gz FGWXMEGCNDSFPO-UHFFFAOYSA-N 0 0 182.248 1.451 10 0 ADAERN Clc1ccncc1[C@H]1CC[NH2+]1 104660056 573139366 /nfs/dbraw/zinc/13/93/66/573139366.db2.gz SOCDKCGQYYSVMX-MRVPVSSYSA-N 0 0 168.627 1.769 10 0 ADAERN Cc1c2cc(N)cc(F)c2nn1C 259340793 573139375 /nfs/dbraw/zinc/13/93/75/573139375.db2.gz HHDBJMTUGUJNRZ-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN OCc1ccc(CN2CC=CC2)o1 1140680393 757920449 /nfs/dbraw/zinc/92/04/49/757920449.db2.gz AAIHTAYMRFDPMG-UHFFFAOYSA-N 0 0 179.219 1.144 10 0 ADAERN Cc1ccnc(-c2nccc(N)n2)c1 82643862 573139413 /nfs/dbraw/zinc/13/94/13/573139413.db2.gz JNFNOFYOWOBBEF-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN [NH3+][C@@H]1CCc2c(ccc(O)c2F)C1 104661096 573139414 /nfs/dbraw/zinc/13/94/14/573139414.db2.gz HBZCZSKDXAGSKH-SSDOTTSWSA-N 0 0 181.210 1.347 10 0 ADAERN CN1C(=O)N=CC[C@@H]1c1ccccc1 238299485 573139435 /nfs/dbraw/zinc/13/94/35/573139435.db2.gz DEQTYPVLZUASFX-SNVBAGLBSA-N 0 0 188.230 1.896 10 0 ADAERN CC[C@H](C)c1nc(C)nc(N)n1 82664089 573146703 /nfs/dbraw/zinc/14/67/03/573146703.db2.gz GQWRWRPIPSNFKP-YFKPBYRVSA-N 0 0 166.228 1.276 10 0 ADAERN CC/C=C(/C)C(=O)N1CC[C@H](O)[C@@H]1C 1140863735 757929208 /nfs/dbraw/zinc/92/92/08/757929208.db2.gz VRPGUECZKXXQEI-VAJAEUGUSA-N 0 0 197.278 1.324 10 0 ADAERN CCc1c(C)c[nH]c1C(=O)OC 238290024 573146736 /nfs/dbraw/zinc/14/67/36/573146736.db2.gz DVLIJZGAOMLQMD-UHFFFAOYSA-N 0 0 167.208 1.672 10 0 ADAERN N#CNC(=N)C1CCCC1 82664233 573146746 /nfs/dbraw/zinc/14/67/46/573146746.db2.gz OKCIBTPQJHBQJK-UHFFFAOYSA-N 0 0 137.186 1.225 10 0 ADAERN CC[C@@H]1OCC(C)(C)[C@H](O)O1 238290684 573146788 /nfs/dbraw/zinc/14/67/88/573146788.db2.gz BJOXACDVRYIVDU-RNFRBKRXSA-N 0 0 160.213 1.114 10 0 ADAERN Nc1ncnc(-c2ccsc2)n1 82664397 573146807 /nfs/dbraw/zinc/14/68/07/573146807.db2.gz ZHWLXOZXJYOMEI-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1ccc2oc(=O)sc2c1 114991228 573146824 /nfs/dbraw/zinc/14/68/24/573146824.db2.gz VLGPOMSFUCJVEE-UHFFFAOYSA-N 0 0 167.189 1.437 10 0 ADAERN CCNc1cc(F)c(F)cc1N 114960771 573146846 /nfs/dbraw/zinc/14/68/46/573146846.db2.gz GHSYZEJNKPXZAE-UHFFFAOYSA-N 0 0 172.178 1.979 10 0 ADAERN C[C@H](O)C[C@H](C)N[C@H](C)C(F)(F)F 308270020 573125543 /nfs/dbraw/zinc/12/55/43/573125543.db2.gz RNFJHGDAFLAKAL-LYFYHCNISA-N 0 0 199.216 1.686 10 0 ADAERN NC(=O)CCC/C=C/Cl 104651886 573125557 /nfs/dbraw/zinc/12/55/57/573125557.db2.gz DMRYZJZYLFLRSL-HWKANZROSA-N 0 0 147.605 1.395 10 0 ADAERN COC(=O)[C@H](CC(C)C)OC(C)C 225321956 573148142 /nfs/dbraw/zinc/14/81/42/573148142.db2.gz MFKMWPLMJLLTTR-VIFPVBQESA-N 0 0 188.267 1.999 10 0 ADAERN Cc1cc(F)ccc1-n1nccc1N 82650934 573148147 /nfs/dbraw/zinc/14/81/47/573148147.db2.gz DTRUZDCYUIKQSA-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CC/C=C/C(=O)OC[C@@H]1CCCO1 308287771 573148177 /nfs/dbraw/zinc/14/81/77/573148177.db2.gz CSNNKOYLNQRFPW-SWTNXBIASA-N 0 0 184.235 1.675 10 0 ADAERN FC1(F)CNCC[C@H]1c1ccncc1 258540786 573148182 /nfs/dbraw/zinc/14/81/82/573148182.db2.gz IDJPIOKBTDBCDK-VIFPVBQESA-N 0 0 198.216 1.794 10 0 ADAERN CCc1nc(CO)oc1CC 258481905 573148183 /nfs/dbraw/zinc/14/81/83/573148183.db2.gz JFZNNPFKQFSIBE-UHFFFAOYSA-N 0 0 155.197 1.292 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]2C[C@H]2C(=O)N1 258481931 573148190 /nfs/dbraw/zinc/14/81/90/573148190.db2.gz JGOAZIQJRVJBAG-PRJMDXOYSA-N 0 0 167.252 1.557 10 0 ADAERN Cc1cc(C=O)sc1C1OCCO1 114947346 573148208 /nfs/dbraw/zinc/14/82/08/573148208.db2.gz GPXWKJVVVYDEPB-UHFFFAOYSA-N 0 0 198.243 1.914 10 0 ADAERN OC[C@@H](F)[C@H]1CCSC1 258550987 573148213 /nfs/dbraw/zinc/14/82/13/573148213.db2.gz PKGZGVBDCVMNRJ-NTSWFWBYSA-N 0 0 150.218 1.070 10 0 ADAERN CC/C=C(\C)C(=O)N1CC[C@H](O)[C@@H]1C 1140863736 757933359 /nfs/dbraw/zinc/93/33/59/757933359.db2.gz VRPGUECZKXXQEI-VCQGXKKCSA-N 0 0 197.278 1.324 10 0 ADAERN COC(=O)c1cccc2ncc(C)n12 258539859 573148244 /nfs/dbraw/zinc/14/82/44/573148244.db2.gz NJRZYQZXJLYNBJ-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CCc1oc(N)nc1C(C)C 258481898 573148253 /nfs/dbraw/zinc/14/82/53/573148253.db2.gz JFGNEQHOUQFYBZ-UHFFFAOYSA-N 0 0 154.213 1.943 10 0 ADAERN CCON[C@H](C)c1cnc(C)cn1 308288611 573148277 /nfs/dbraw/zinc/14/82/77/573148277.db2.gz CEUHTDXVKXFMKA-MRVPVSSYSA-N 0 0 181.239 1.387 10 0 ADAERN C[C@H]1CCC[C@H](c2ncnc(N)n2)C1 82664369 573148313 /nfs/dbraw/zinc/14/83/13/573148313.db2.gz JLEYUHBRAQNLNM-YUMQZZPRSA-N 0 0 192.266 1.748 10 0 ADAERN CCc1cc(C)nc(CCCO)n1 259343677 573148339 /nfs/dbraw/zinc/14/83/39/573148339.db2.gz POOXEXOKSOLCKL-UHFFFAOYSA-N 0 0 180.251 1.272 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1ccc(N)cn1 82648114 573148384 /nfs/dbraw/zinc/14/83/84/573148384.db2.gz ZAQBLGORGTWVDP-IUCAKERBSA-N 0 0 191.278 1.756 10 0 ADAERN CC[C@@H]1OCC(C)(C)[C@@H](O)O1 238290669 573148404 /nfs/dbraw/zinc/14/84/04/573148404.db2.gz BJOXACDVRYIVDU-RQJHMYQMSA-N 0 0 160.213 1.114 10 0 ADAERN COCCc1ncc(CC(C)=O)s1 257957137 573148407 /nfs/dbraw/zinc/14/84/07/573148407.db2.gz GCSVUVZATOEUCJ-UHFFFAOYSA-N 0 0 199.275 1.464 10 0 ADAERN CC[C@@H]1O[C@H]1C(=O)Nc1ccccc1 238292355 573150596 /nfs/dbraw/zinc/15/05/96/573150596.db2.gz VMJNRUNPVHJXAF-VHSXEESVSA-N 0 0 191.230 1.803 10 0 ADAERN CCn1c(N)nnc1-c1ccccc1 238292298 573150631 /nfs/dbraw/zinc/15/06/31/573150631.db2.gz ARYLOXPKWUCJQM-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC(C)Cc1cnc(NCCO)nc1 259347791 573152560 /nfs/dbraw/zinc/15/25/60/573152560.db2.gz RIJGNCIHYLBYSN-UHFFFAOYSA-N 0 0 195.266 1.079 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1ccco1 104667271 573152562 /nfs/dbraw/zinc/15/25/62/573152562.db2.gz QSBCASGHGWOJEY-ZETCQYMHSA-N 0 0 183.207 1.390 10 0 ADAERN CC[C@](C)(O)[C@H]1OC1(C)C 238291576 573152569 /nfs/dbraw/zinc/15/25/69/573152569.db2.gz GHIAVXTZHBLTBS-XPUUQOCRSA-N 0 0 144.214 1.325 10 0 ADAERN Cc1cc(Cl)nc(CN(C)C)n1 85792311 573152607 /nfs/dbraw/zinc/15/26/07/573152607.db2.gz MTNXMGSIRUYNMI-UHFFFAOYSA-N 0 0 185.658 1.500 10 0 ADAERN C[C@H](NCC1(CO)CC1)C(F)(F)F 308283986 573152615 /nfs/dbraw/zinc/15/26/15/573152615.db2.gz YDGXAADVEYPEHL-LURJTMIESA-N 0 0 197.200 1.299 10 0 ADAERN C=Cc1cncc(N)c1 115058181 573152617 /nfs/dbraw/zinc/15/26/17/573152617.db2.gz IMISEVQFTWVYNZ-UHFFFAOYSA-N 0 0 120.155 1.307 10 0 ADAERN Cc1nccnc1CN1CC=CC1 1140935378 757940346 /nfs/dbraw/zinc/94/03/46/757940346.db2.gz PNQSKAAGAPALNE-UHFFFAOYSA-N 0 0 175.235 1.157 10 0 ADAERN CC[C@@H](CO)CC1COC1 258545003 573152654 /nfs/dbraw/zinc/15/26/54/573152654.db2.gz IPHLHKHXFPTIAM-SSDOTTSWSA-N 0 0 144.214 1.041 10 0 ADAERN CN(CCF)Cc1cnco1 1140935728 757941512 /nfs/dbraw/zinc/94/15/12/757941512.db2.gz ZPKWEPXHMRDSDR-UHFFFAOYSA-N 0 0 158.176 1.076 10 0 ADAERN O=Nc1c([O-])cc(O)cc1F 115006037 573153762 /nfs/dbraw/zinc/15/37/62/573153762.db2.gz GAUQHQVSPZGCMH-UHFFFAOYSA-N 0 0 157.100 1.635 10 0 ADAERN CC[N@@H+]1CCC[C@H]1C/C=C\C(=O)[O-] 258236055 573153782 /nfs/dbraw/zinc/15/37/82/573153782.db2.gz PRPVARMIWHPJCC-SEYNBYMXSA-N 0 0 183.251 1.502 10 0 ADAERN CC(=O)Nc1cc(C)cc2n[nH]nc12 115053906 573153786 /nfs/dbraw/zinc/15/37/86/573153786.db2.gz XROOZHLBYCQOJL-UHFFFAOYSA-N 0 0 190.206 1.225 10 0 ADAERN C[C@@H]1CCN1Cc1csnn1 1140992444 757942334 /nfs/dbraw/zinc/94/23/34/757942334.db2.gz CXHFEZYLFJDVDS-ZCFIWIBFSA-N 0 0 169.253 1.132 10 0 ADAERN C[C@H]1CCN1Cc1csnn1 1140992443 757942420 /nfs/dbraw/zinc/94/24/20/757942420.db2.gz CXHFEZYLFJDVDS-LURJTMIESA-N 0 0 169.253 1.132 10 0 ADAERN CCSc1nc[nH]c1C(N)=S 238292561 573153818 /nfs/dbraw/zinc/15/38/18/573153818.db2.gz KJZAUQLEAXWPES-UHFFFAOYSA-N 0 0 187.293 1.156 10 0 ADAERN CC[C@@H](C)Nc1nc(O)cs1 238292351 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Cc1nccnc1CN1CC(C)(F)C1 1140934759 757945982 /nfs/dbraw/zinc/94/59/82/757945982.db2.gz WQMRNNUBBHZGAL-UHFFFAOYSA-N 0 0 195.241 1.329 10 0 ADAERN C[C@H]1CC(=O)CCN1Cc1ncco1 1141004648 757955840 /nfs/dbraw/zinc/95/58/40/757955840.db2.gz JKARSJQRUPQKNY-QMMMGPOBSA-N 0 0 194.234 1.228 10 0 ADAERN Cc1nccnc1CN(C)CCF 1140939760 757946315 /nfs/dbraw/zinc/94/63/15/757946315.db2.gz UIQKRHGUSSJGHL-UHFFFAOYSA-N 0 0 183.230 1.186 10 0 ADAERN CC[C@@](C)(OC)C1=NC=S=C1N 642853962 573156995 /nfs/dbraw/zinc/15/69/95/573156995.db2.gz WKTWQARFWNWUCP-MRVPVSSYSA-N 0 0 186.280 1.182 10 0 ADAERN CC[C@@H]1SC(C)(C)[NH2+][C@H]1C(=O)[O-] 238292972 573157000 /nfs/dbraw/zinc/15/70/00/573157000.db2.gz WQDNYRRYUGETBO-NTSWFWBYSA-N 0 0 189.280 1.291 10 0 ADAERN COC(=O)[C@@H](C)N(C)CC[C@@H](C)F 308288917 573157064 /nfs/dbraw/zinc/15/70/64/573157064.db2.gz CKAOHAXBRHIZMQ-HTQZYQBOSA-N 0 0 191.246 1.228 10 0 ADAERN CC(=O)[C@H](C)NC(=O)[C@@H]1CC1(C)C 235503713 573157084 /nfs/dbraw/zinc/15/70/84/573157084.db2.gz 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/nfs/dbraw/zinc/95/68/30/757956830.db2.gz QDQLXEHGQUJVMU-ZETCQYMHSA-N 0 0 152.197 1.269 10 0 ADAERN [NH3+][C@H]1COc2c([S-])cccc21 104672162 573160108 /nfs/dbraw/zinc/16/01/08/573160108.db2.gz HOWFFSFHWUJMAE-LURJTMIESA-N 0 0 167.233 1.368 10 0 ADAERN CSCC[C@@H](O)C(C)C 82679618 573160116 /nfs/dbraw/zinc/16/01/16/573160116.db2.gz OZBAJQJCKHBNOM-SSDOTTSWSA-N 0 0 148.271 1.756 10 0 ADAERN O=C([O-])c1ncccc1[C@H]1CCC[NH2+]1 104675429 573162758 /nfs/dbraw/zinc/16/27/58/573162758.db2.gz BIULVLBLFKVGDS-MRVPVSSYSA-N 0 0 192.218 1.204 10 0 ADAERN C1=CO[C@@H](CNn2cccc2)CC1 85828220 573162761 /nfs/dbraw/zinc/16/27/61/573162761.db2.gz PLVSSFMWJGQGGN-SNVBAGLBSA-N 0 0 178.235 1.724 10 0 ADAERN CCSc1cc(N)cc(N)c1 238297722 573162763 /nfs/dbraw/zinc/16/27/63/573162763.db2.gz HTPBHESLSDQGMQ-UHFFFAOYSA-N 0 0 168.265 1.963 10 0 ADAERN C[NH2+]CSc1ccc2c(c1)OCO2 259349571 573162775 /nfs/dbraw/zinc/16/27/75/573162775.db2.gz YPSJMOHIAUWCQK-UHFFFAOYSA-N 0 0 197.259 1.684 10 0 ADAERN C[C@@H]1C[C@H](O)CCN1Cc1ncco1 1141007329 757958081 /nfs/dbraw/zinc/95/80/81/757958081.db2.gz HTVKLBBYHDHVOR-RKDXNWHRSA-N 0 0 196.250 1.020 10 0 ADAERN CC[C@@](C)(O)C(=O)NC(C)(C)C 238297921 573162803 /nfs/dbraw/zinc/16/28/03/573162803.db2.gz SHDHRXBSGRJEKH-SECBINFHSA-N 0 0 173.256 1.062 10 0 ADAERN Cc1ccc(C)n1NCc1cnco1 85829713 573162829 /nfs/dbraw/zinc/16/28/29/573162829.db2.gz SPARQAGAXSTEDN-UHFFFAOYSA-N 0 0 191.234 1.837 10 0 ADAERN c1ccn(NC2CCSCC2)c1 85828873 573162832 /nfs/dbraw/zinc/16/28/32/573162832.db2.gz RUIJAERFNNVXRO-UHFFFAOYSA-N 0 0 182.292 1.927 10 0 ADAERN C[C@H]1CN(Cc2ncco2)CCC1=O 1141004604 757959755 /nfs/dbraw/zinc/95/97/55/757959755.db2.gz ICRCEMVUZZENGA-QMMMGPOBSA-N 0 0 194.234 1.086 10 0 ADAERN COc1cc(C=O)cc2n[nH]c(C)c12 259350145 573162844 /nfs/dbraw/zinc/16/28/44/573162844.db2.gz HZAUWZMKMNKWBJ-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN CCOCc1nccn1CC 238296922 573162864 /nfs/dbraw/zinc/16/28/64/573162864.db2.gz VNIOYWDYFDZIFJ-UHFFFAOYSA-N 0 0 154.213 1.440 10 0 ADAERN C=COCCCNC(=O)[C@@H]1C[C@H]1C 308285165 573162880 /nfs/dbraw/zinc/16/28/80/573162880.db2.gz YRPATAKLSHNOCK-RKDXNWHRSA-N 0 0 183.251 1.309 10 0 ADAERN CCOC(=O)[C@@H](CC)c1c[nH]c(C)n1 259602288 573162891 /nfs/dbraw/zinc/16/28/91/573162891.db2.gz CXVKQJOMWQTXNH-QMMMGPOBSA-N 0 0 196.250 1.775 10 0 ADAERN CCCOC[C@@H](O)c1ccc(F)nc1 686127544 573162900 /nfs/dbraw/zinc/16/29/00/573162900.db2.gz BPOQPQVOKGGEGF-SECBINFHSA-N 0 0 199.225 1.681 10 0 ADAERN CCSc1cc(N)c(N)c(C=O)c1 238297487 573162915 /nfs/dbraw/zinc/16/29/15/573162915.db2.gz PMMFQVXOMGCZKS-UHFFFAOYSA-N 0 0 196.275 1.776 10 0 ADAERN Nc1nc(Cc2cccs2)co1 258558807 573162923 /nfs/dbraw/zinc/16/29/23/573162923.db2.gz JUQCUWRSHFYVGS-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cc1ccc([C@H](C)ON)o1 259348837 573163851 /nfs/dbraw/zinc/16/38/51/573163851.db2.gz FDXITMFHEOPXQL-LURJTMIESA-N 0 0 141.170 1.539 10 0 ADAERN C[C@@H]1CN(Cc2ncco2)CCC1=O 1141004603 757962863 /nfs/dbraw/zinc/96/28/63/757962863.db2.gz ICRCEMVUZZENGA-MRVPVSSYSA-N 0 0 194.234 1.086 10 0 ADAERN CC(=O)[C@@H]1COc2ccc(O)cc21 258237586 573163882 /nfs/dbraw/zinc/16/38/82/573163882.db2.gz WWPWVODKGJRXHP-VIFPVBQESA-N 0 0 178.187 1.457 10 0 ADAERN CC(C)[C@H](C)CNc1ncc(N)cn1 82737807 573163888 /nfs/dbraw/zinc/16/38/88/573163888.db2.gz VFBDDUOTKOXYKR-MRVPVSSYSA-N 0 0 194.282 1.763 10 0 ADAERN CC(=O)c1cnoc1C[C@@H]1CCOC1 259349320 573163890 /nfs/dbraw/zinc/16/38/90/573163890.db2.gz UIICGFLHDIULNL-QMMMGPOBSA-N 0 0 195.218 1.456 10 0 ADAERN Cc1ccncc1CN(C)C1COC1 1141035123 757964221 /nfs/dbraw/zinc/96/42/21/757964221.db2.gz HOYQWGRDPQMREE-UHFFFAOYSA-N 0 0 192.262 1.221 10 0 ADAERN Cc1nc(CNn2cccc2)cs1 85828521 573163903 /nfs/dbraw/zinc/16/39/03/573163903.db2.gz QKNXLMKFQJLXDL-UHFFFAOYSA-N 0 0 193.275 1.997 10 0 ADAERN CC[C@H]1C[C@H](Nn2cccc2)CCO1 85828766 573163907 /nfs/dbraw/zinc/16/39/07/573163907.db2.gz RYCFPBFUAVCQHP-MNOVXSKESA-N 0 0 194.278 1.989 10 0 ADAERN CC(=O)OC[C@H]1CC(=O)C[C@@H]1C 223912332 573163911 /nfs/dbraw/zinc/16/39/11/573163911.db2.gz WDIIJNRZAUBAEN-POYBYMJQSA-N 0 0 170.208 1.165 10 0 ADAERN CCO[C@H]1C[C@@]1(C)C(C)=O 238297133 573163920 /nfs/dbraw/zinc/16/39/20/573163920.db2.gz HUTJWZHMPWVJIS-YUMQZZPRSA-N 0 0 142.198 1.391 10 0 ADAERN C=C/C=C/CC(=O)NOC1CCC1 1141021477 757965056 /nfs/dbraw/zinc/96/50/56/757965056.db2.gz VAERSWOEDOHJKG-ONEGZZNKSA-N 0 0 181.235 1.719 10 0 ADAERN C[C@@H](CO)S[C@H]1CCCCO1 642855927 573163924 /nfs/dbraw/zinc/16/39/24/573163924.db2.gz KCWZVWTXGCQVPV-YUMQZZPRSA-N 0 0 176.281 1.627 10 0 ADAERN Cc1cc(-c2cncnc2)cnc1N 82730025 573163926 /nfs/dbraw/zinc/16/39/26/573163926.db2.gz MJFXINXSOKIBIX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN c1ccn(N[C@@H]2CCCOC2)c1 85829466 573163951 /nfs/dbraw/zinc/16/39/51/573163951.db2.gz QQWFCKQGOXNWOQ-SECBINFHSA-N 0 0 166.224 1.211 10 0 ADAERN C[C@@H]1CCN1Cc1cocn1 1141126178 757968055 /nfs/dbraw/zinc/96/80/55/757968055.db2.gz CQZPPGYNVXJLSN-SSDOTTSWSA-N 0 0 152.197 1.269 10 0 ADAERN C[C@H](Nn1cccc1)C1CC1 85828672 573163963 /nfs/dbraw/zinc/16/39/63/573163963.db2.gz HFAXPBDLSSXBGM-QMMMGPOBSA-N 0 0 150.225 1.830 10 0 ADAERN CN(c1cccc(O)c1)C1CC1 238296719 573163968 /nfs/dbraw/zinc/16/39/68/573163968.db2.gz LQTSMCKBUYJCDQ-UHFFFAOYSA-N 0 0 163.220 1.991 10 0 ADAERN Cc1ccncc1CN1CCCCO1 1141031372 757966378 /nfs/dbraw/zinc/96/63/78/757966378.db2.gz KLSDCVGQSNUQRW-UHFFFAOYSA-N 0 0 192.262 1.917 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])C1CCC1 104674950 573163976 /nfs/dbraw/zinc/16/39/76/573163976.db2.gz YPJBZGRSMMVXAQ-SSDOTTSWSA-N 0 0 171.240 1.225 10 0 ADAERN Cc1cc2oc(=O)n(C)c2cc1N 115068996 573163977 /nfs/dbraw/zinc/16/39/77/573163977.db2.gz ZZDPYRTXGIMTMR-UHFFFAOYSA-N 0 0 178.191 1.022 10 0 ADAERN CC[C@](O)(C(C)=O)c1ccco1 238298113 573163981 /nfs/dbraw/zinc/16/39/81/573163981.db2.gz FFGPCKQIMODYLM-VIFPVBQESA-N 0 0 168.192 1.466 10 0 ADAERN Nc1ccccc1CNn1cccc1 85829005 573164001 /nfs/dbraw/zinc/16/40/01/573164001.db2.gz LHQHLKMWLYKFRU-UHFFFAOYSA-N 0 0 187.246 1.814 10 0 ADAERN C=C/C=C\CC(=O)NCC[C@H](C)OC 1141105060 757967643 /nfs/dbraw/zinc/96/76/43/757967643.db2.gz BURGXTQNXNOYFX-OMMCCPJFSA-N 0 0 197.278 1.660 10 0 ADAERN [NH3+][C@H]1CCc2c([S-])cccc2C1 104673818 573164007 /nfs/dbraw/zinc/16/40/07/573164007.db2.gz RYAVSIHCCBMHCE-QMMMGPOBSA-N 0 0 179.288 1.791 10 0 ADAERN Oc1ccc(CNn2cccc2)cc1 85829351 573164008 /nfs/dbraw/zinc/16/40/08/573164008.db2.gz VNUZQOICRJTESM-UHFFFAOYSA-N 0 0 188.230 1.937 10 0 ADAERN Cc1ccncc1CN1CC(C)(F)C1 1141031621 757968010 /nfs/dbraw/zinc/96/80/10/757968010.db2.gz VLDIKLSLMBHVND-UHFFFAOYSA-N 0 0 194.253 1.934 10 0 ADAERN c1ccn(NCc2cscn2)c1 85828427 573164029 /nfs/dbraw/zinc/16/40/29/573164029.db2.gz FGSJPBYAWBSFHS-UHFFFAOYSA-N 0 0 179.248 1.688 10 0 ADAERN Cn1cncc1C(=O)c1cccs1 115109782 573164033 /nfs/dbraw/zinc/16/40/33/573164033.db2.gz KENXCMUVEIUJKP-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN CCc1ccc(C2(O)CC2)o1 85827387 573164039 /nfs/dbraw/zinc/16/40/39/573164039.db2.gz SZSIZYAGBKZWCS-UHFFFAOYSA-N 0 0 152.193 1.823 10 0 ADAERN C[C@@H]1SC[C@@H](O)S[C@@H]1C 115141480 573164051 /nfs/dbraw/zinc/16/40/51/573164051.db2.gz UKNKVJBYAGYPLR-JKUQZMGJSA-N 0 0 164.295 1.562 10 0 ADAERN CC(C)CCc1coc(N)n1 258559095 573164052 /nfs/dbraw/zinc/16/40/52/573164052.db2.gz JZMPNUBBECOQGD-UHFFFAOYSA-N 0 0 154.213 1.845 10 0 ADAERN C[C@@H](Nn1cccc1)c1cc[nH]n1 85828595 573164062 /nfs/dbraw/zinc/16/40/62/573164062.db2.gz HKYXEHRQSJJOAN-MRVPVSSYSA-N 0 0 176.223 1.516 10 0 ADAERN Cc1c(Cl)cccc1ON 82188463 573164071 /nfs/dbraw/zinc/16/40/71/573164071.db2.gz YNFFGTFKXAFMSA-UHFFFAOYSA-N 0 0 157.600 1.901 10 0 ADAERN Cn1ccc(CNn2cccc2)c1 85829284 573164078 /nfs/dbraw/zinc/16/40/78/573164078.db2.gz KZIGHIBWJMQOCB-UHFFFAOYSA-N 0 0 175.235 1.570 10 0 ADAERN CCO[C@H]1C[C@H](C(C)C)CC(=O)N1 238297283 573164090 /nfs/dbraw/zinc/16/40/90/573164090.db2.gz XLLMEKWJRISIFD-SCZZXKLOSA-N 0 0 185.267 1.531 10 0 ADAERN Cc1ccc(C)n1NC[C@@H]1CCOC1 85829806 573164102 /nfs/dbraw/zinc/16/41/02/573164102.db2.gz YHQXLKSSHJCWNB-NSHDSACASA-N 0 0 194.278 1.685 10 0 ADAERN C/C=C(\CCCCC)C(N)=O 219000165 573164107 /nfs/dbraw/zinc/16/41/07/573164107.db2.gz WEQMKUJGOYWAPL-XBXARRHUSA-N 0 0 155.241 1.998 10 0 ADAERN CN(C)[C@H](O)c1ccc(F)c(F)c1 259349865 573164113 /nfs/dbraw/zinc/16/41/13/573164113.db2.gz FOSWUBGBZYXCAL-SECBINFHSA-N 0 0 187.189 1.517 10 0 ADAERN Cc1ccc(C)n1NCc1ncc[nH]1 85829643 573164132 /nfs/dbraw/zinc/16/41/32/573164132.db2.gz IYVLJMCSAFJUSN-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CC(=O)[C@H](N)c1cnc(F)cc1C 104674438 573164135 /nfs/dbraw/zinc/16/41/35/573164135.db2.gz DHZNAJXSMGEAFW-VIFPVBQESA-N 0 0 182.198 1.118 10 0 ADAERN O=c1[nH]cc2cc(F)ccn12 258567460 573166339 /nfs/dbraw/zinc/16/63/39/573166339.db2.gz RGYUGUOULKGFSC-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN C[C@H]1CCN1Cc1cocn1 1141126179 757972170 /nfs/dbraw/zinc/97/21/70/757972170.db2.gz CQZPPGYNVXJLSN-ZETCQYMHSA-N 0 0 152.197 1.269 10 0 ADAERN CCc1cccc([C@@H]2CNC(=O)C2)c1 238297240 573166360 /nfs/dbraw/zinc/16/63/60/573166360.db2.gz ASYHOYVLDFPIMO-NSHDSACASA-N 0 0 189.258 1.853 10 0 ADAERN C=C/C=C/CC(=O)NCC[C@H](C)OC 1141105061 757972387 /nfs/dbraw/zinc/97/23/87/757972387.db2.gz BURGXTQNXNOYFX-PORFMDCZSA-N 0 0 197.278 1.660 10 0 ADAERN C=C/C=C/CC(=O)NCC[C@@H](C)OC 1141105059 757972647 /nfs/dbraw/zinc/97/26/47/757972647.db2.gz BURGXTQNXNOYFX-BRAIEQGRSA-N 0 0 197.278 1.660 10 0 ADAERN CCC[S@@](=O)[C@@H](C)C(C)=O 82744243 573166391 /nfs/dbraw/zinc/16/63/91/573166391.db2.gz NGEUSLIPXSXHAX-XVKPBYJWSA-N 0 0 162.254 1.123 10 0 ADAERN CC[C@H]1C(=O)NC(=O)O[C@H]1CC(C)C 238298055 573166406 /nfs/dbraw/zinc/16/64/06/573166406.db2.gz KPZTXWGILMALQT-SFYZADRCSA-N 0 0 199.250 1.694 10 0 ADAERN COc1cccc2c1C[C@@H]2OC 258562076 573166429 /nfs/dbraw/zinc/16/64/29/573166429.db2.gz QOSGMXRHPSYDRL-JTQLQIEISA-N 0 0 164.204 1.939 10 0 ADAERN C=C/C=C\CC(=O)NCC[C@@H](C)OC 1141105062 757974492 /nfs/dbraw/zinc/97/44/92/757974492.db2.gz BURGXTQNXNOYFX-WWQCOOJYSA-N 0 0 197.278 1.660 10 0 ADAERN C/C=C/COC(=O)[C@]1(C)CCOC1 308290077 573166441 /nfs/dbraw/zinc/16/64/41/573166441.db2.gz GNBZIIXSGIDAIA-HMDXOVGESA-N 0 0 184.235 1.532 10 0 ADAERN CN[C@H](c1cccn1C)C(F)(F)F 104675422 573166452 /nfs/dbraw/zinc/16/64/52/573166452.db2.gz LCOKZMIWQHKGAU-SSDOTTSWSA-N 0 0 192.184 1.848 10 0 ADAERN CN(c1cccnc1F)C1CC1 238296830 573166460 /nfs/dbraw/zinc/16/64/60/573166460.db2.gz FYWNTLYXXOMQQY-UHFFFAOYSA-N 0 0 166.199 1.819 10 0 ADAERN CC[C@H]1C(=O)N[C@H]1C=C(C)C 238297911 573166464 /nfs/dbraw/zinc/16/64/64/573166464.db2.gz MNYUGHCCMDUHGE-SFYZADRCSA-N 0 0 153.225 1.477 10 0 ADAERN Nc1nc(CC(F)F)cs1 258562023 573166473 /nfs/dbraw/zinc/16/64/73/573166473.db2.gz QNKVFRCFYCBQQP-UHFFFAOYSA-N 0 0 164.180 1.533 10 0 ADAERN COC(=O)c1cc2[nH]cc(C)cc-2n1 259602251 573166485 /nfs/dbraw/zinc/16/64/85/573166485.db2.gz CWYSCUQVSGZFDC-UHFFFAOYSA-N 0 0 190.202 1.658 10 0 ADAERN Cc1ccncc1CN1CC(F)(F)C1 1141031394 757975661 /nfs/dbraw/zinc/97/56/61/757975661.db2.gz MMJQKHSENZOCMP-UHFFFAOYSA-N 0 0 198.216 1.841 10 0 ADAERN CCOC(=O)c1[nH]cc2occc12 238296676 573166503 /nfs/dbraw/zinc/16/65/03/573166503.db2.gz JYFNOMQYYMDMNL-UHFFFAOYSA-N 0 0 179.175 1.938 10 0 ADAERN CN[C@@H](c1cccn1C)C(F)(F)F 104675419 573166516 /nfs/dbraw/zinc/16/65/16/573166516.db2.gz LCOKZMIWQHKGAU-ZETCQYMHSA-N 0 0 192.184 1.848 10 0 ADAERN C[C@@]1(c2ccncc2)CNC(=O)O1 258238764 573166521 /nfs/dbraw/zinc/16/65/21/573166521.db2.gz HEAZVRYXYSYRGH-VIFPVBQESA-N 0 0 178.191 1.037 10 0 ADAERN Clc1ccc(Nn2cccc2)nn1 85832270 573166530 /nfs/dbraw/zinc/16/65/30/573166530.db2.gz PZTBQYLUVCKMCY-UHFFFAOYSA-N 0 0 194.625 1.807 10 0 ADAERN CCc1cccc2nc(N)nc-2c1 238297917 573166539 /nfs/dbraw/zinc/16/65/39/573166539.db2.gz HKUACNYWKBRCLU-UHFFFAOYSA-N 0 0 173.219 1.726 10 0 ADAERN CC[C@@H]1COCCN1C(=O)C(C)(C)C 82738145 573166556 /nfs/dbraw/zinc/16/65/56/573166556.db2.gz QSOPVWOBGJNUBA-SECBINFHSA-N 0 0 199.294 1.670 10 0 ADAERN C=C/C=C\CC(=O)NOC1CCC1 1141021475 757978003 /nfs/dbraw/zinc/97/80/03/757978003.db2.gz VAERSWOEDOHJKG-ARJAWSKDSA-N 0 0 181.235 1.719 10 0 ADAERN CO[C@@H]1CCC[C@H](Nn2cccc2)C1 85830351 573169418 /nfs/dbraw/zinc/16/94/18/573169418.db2.gz ZORDITJVEFJTJS-WDEREUQCSA-N 0 0 194.278 1.989 10 0 ADAERN COCCN1CCCC(=O)C1(C)C 259351308 573169422 /nfs/dbraw/zinc/16/94/22/573169422.db2.gz JSSVDUFLUWOONS-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN c1cc2nc3n(c2cn1)CCC3 115244517 573169432 /nfs/dbraw/zinc/16/94/32/573169432.db2.gz PLCSNARNHQFJOE-UHFFFAOYSA-N 0 0 159.192 1.378 10 0 ADAERN Cc1cccc(C(=O)C2(CO)CC2)c1 259352026 573169433 /nfs/dbraw/zinc/16/94/33/573169433.db2.gz ZYKORLSOELSJPU-UHFFFAOYSA-N 0 0 190.242 1.950 10 0 ADAERN Cc1ccc(C)n1NC[C@@H](C)O 85831242 573169434 /nfs/dbraw/zinc/16/94/34/573169434.db2.gz KXUNTUZJXMIGDL-SECBINFHSA-N 0 0 168.240 1.029 10 0 ADAERN CN1CCCN2CCn3cccc3[C@@H]12 238298598 573169449 /nfs/dbraw/zinc/16/94/49/573169449.db2.gz AAYQLTBDZFWACJ-NSHDSACASA-N 0 0 191.278 1.138 10 0 ADAERN CONC(=O)/C=C\c1cccnc1C 1141423468 757979774 /nfs/dbraw/zinc/97/97/74/757979774.db2.gz YUTBLMMEBFPGMF-WAYWQWQTSA-N 0 0 192.218 1.081 10 0 ADAERN O=C(c1cocn1)N1CC[C@@H]1C1CC1 1141262380 757980165 /nfs/dbraw/zinc/98/01/65/757980165.db2.gz QOEQQRWXUKTITQ-SECBINFHSA-N 0 0 192.218 1.299 10 0 ADAERN COCn1ccc(C(C)=O)c1 85832892 573169481 /nfs/dbraw/zinc/16/94/81/573169481.db2.gz ATMWYHHGOHUUSR-UHFFFAOYSA-N 0 0 153.181 1.295 10 0 ADAERN CONC(=O)/C(C)=C\c1ccncc1 1141423270 757980946 /nfs/dbraw/zinc/98/09/46/757980946.db2.gz REOFEMQZOZMQQD-FPLPWBNLSA-N 0 0 192.218 1.163 10 0 ADAERN CC(C)c1coc(NC(=O)[C@@H](C)O)n1 1141146056 757981252 /nfs/dbraw/zinc/98/12/52/757981252.db2.gz ZWBCEKCNNOOKFN-ZCFIWIBFSA-N 0 0 198.222 1.117 10 0 ADAERN CC(C)OCCNn1cccc1 85830396 573169506 /nfs/dbraw/zinc/16/95/06/573169506.db2.gz PMLKEVUSECQJSX-UHFFFAOYSA-N 0 0 168.240 1.457 10 0 ADAERN COC/C=C\C(=O)Nc1ccccn1 1141298769 757982652 /nfs/dbraw/zinc/98/26/52/757982652.db2.gz GKURAWSUEADGDT-XQRVVYSFSA-N 0 0 192.218 1.223 10 0 ADAERN CNC(=O)/C=C\c1cccnc1C 1141365046 757981568 /nfs/dbraw/zinc/98/15/68/757981568.db2.gz KTGLTRNDBNREDU-WAYWQWQTSA-N 0 0 176.219 1.149 10 0 ADAERN CCCn1ccc([C@@H](C)O)c1 85833784 573169519 /nfs/dbraw/zinc/16/95/19/573169519.db2.gz BJXNJKAOZCQNJD-MRVPVSSYSA-N 0 0 153.225 1.951 10 0 ADAERN CONC(=O)/C(C)=C/c1ccncc1 1141423269 757981964 /nfs/dbraw/zinc/98/19/64/757981964.db2.gz REOFEMQZOZMQQD-BQYQJAHWSA-N 0 0 192.218 1.163 10 0 ADAERN CCn1ccc([C@@H](C)O)c1 85833760 573170739 /nfs/dbraw/zinc/17/07/39/573170739.db2.gz DPITZJSMASAQCM-SSDOTTSWSA-N 0 0 139.198 1.561 10 0 ADAERN CNC(=O)c1ccc(F)c(C)c1N 1141364867 757982880 /nfs/dbraw/zinc/98/28/80/757982880.db2.gz BZAWJJQQZHWQIP-UHFFFAOYSA-N 0 0 182.198 1.076 10 0 ADAERN CC[C@H](CCO)n1cccn1 238303440 573170750 /nfs/dbraw/zinc/17/07/50/573170750.db2.gz BCJYLPXBUUKLPG-MRVPVSSYSA-N 0 0 154.213 1.217 10 0 ADAERN CC[C@](C)(O)C[C@@H](O)C(C)C 115163760 573170755 /nfs/dbraw/zinc/17/07/55/573170755.db2.gz ZEZQEANYDTVVNB-BDAKNGLRSA-N 0 0 160.257 1.554 10 0 ADAERN C=C/C=C\CC(=O)Nc1cnn(C)c1 1141269082 757983688 /nfs/dbraw/zinc/98/36/88/757983688.db2.gz QZZVVISGWAQSIM-PLNGDYQASA-N 0 0 191.234 1.491 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1CCC[C@@H]1O 85831359 573170764 /nfs/dbraw/zinc/17/07/64/573170764.db2.gz DASRIHZQKDXCIO-MNOVXSKESA-N 0 0 194.278 1.562 10 0 ADAERN C[C@@H](O)c1cccn1C[C@@H]1CCCO1 85833155 573170772 /nfs/dbraw/zinc/17/07/72/573170772.db2.gz ITXGLFLPMAVAJZ-ZJUUUORDSA-N 0 0 195.262 1.720 10 0 ADAERN CC(=O)[C@H](N)c1cc(O)ccc1F 104676977 573170778 /nfs/dbraw/zinc/17/07/78/573170778.db2.gz KXIVBDYSSZLMKW-VIFPVBQESA-N 0 0 183.182 1.120 10 0 ADAERN CNC(=O)/C=C/c1cccnc1C 1141365045 757984693 /nfs/dbraw/zinc/98/46/93/757984693.db2.gz KTGLTRNDBNREDU-AATRIKPKSA-N 0 0 176.219 1.149 10 0 ADAERN CCCC(CCO)CCO 115237453 573170805 /nfs/dbraw/zinc/17/08/05/573170805.db2.gz WBJFJKPHFOAHPA-UHFFFAOYSA-N 0 0 146.230 1.168 10 0 ADAERN C/C=C\C(=O)N[C@@H](C(F)F)C1CC1 308292119 573170815 /nfs/dbraw/zinc/17/08/15/573170815.db2.gz HTVIXWMYPODPBQ-YAJNLLPGSA-N 0 0 189.205 1.722 10 0 ADAERN CCc1cc(=O)c2cc(N)ccc2o1 238303456 573170819 /nfs/dbraw/zinc/17/08/19/573170819.db2.gz 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KTDVESMEHTVPPR-SSDOTTSWSA-N 0 0 183.207 1.061 10 0 ADAERN O=C=CC=Nc1ccccc1 104705609 573208410 /nfs/dbraw/zinc/20/84/10/573208410.db2.gz FDWNZWBUSUFFQU-UHFFFAOYSA-N 0 0 145.161 1.599 10 0 ADAERN CC[C@H]1CN=C(c2ccccc2O)O1 238312893 573208422 /nfs/dbraw/zinc/20/84/22/573208422.db2.gz HKZNRCXGMCLDBC-QMMMGPOBSA-N 0 0 191.230 1.948 10 0 ADAERN CC[C@H]([NH+](C)C)C(C)(C)C(=O)[O-] 259373042 573208428 /nfs/dbraw/zinc/20/84/28/573208428.db2.gz GGSAWTFCHPGQDX-ZETCQYMHSA-N 0 0 173.256 1.437 10 0 ADAERN C[N@@H+]1CC[C@H](CC(=O)[O-])C12CCCC2 107187777 573208433 /nfs/dbraw/zinc/20/84/33/573208433.db2.gz KUVJOQZJALHDBW-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1cc(O)c(F)c(CON)c1 257964633 573208438 /nfs/dbraw/zinc/20/84/38/573208438.db2.gz HINFIBFMZZHPHH-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN C[C@H](O)C1(Cc2cnn(C)c2)CC1 235530389 573208446 /nfs/dbraw/zinc/20/84/46/573208446.db2.gz ZWNAFCKNVUCMIS-QMMMGPOBSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@]1([C@@H]2CCCCO2)CCC(=O)N1 257970396 573208458 /nfs/dbraw/zinc/20/84/58/573208458.db2.gz YNRPIIOYLRIYRW-WCBMZHEXSA-N 0 0 183.251 1.224 10 0 ADAERN Nc1nn(C2CCC2)c2c1COC2 257963958 573208476 /nfs/dbraw/zinc/20/84/76/573208476.db2.gz XTAYMXBRCHIREI-UHFFFAOYSA-N 0 0 179.223 1.221 10 0 ADAERN CCCc1ncc2n1CCC[C@@H]2O 258252378 573208483 /nfs/dbraw/zinc/20/84/83/573208483.db2.gz HRTWAKIPNGWVDM-VIFPVBQESA-N 0 0 180.251 1.663 10 0 ADAERN C[C@@]1([C@H]2CCCCO2)CCC(=O)N1 257970392 573208485 /nfs/dbraw/zinc/20/84/85/573208485.db2.gz YNRPIIOYLRIYRW-SCZZXKLOSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1ccoc1-c1ocnc1CO 85942645 573208490 /nfs/dbraw/zinc/20/84/90/573208490.db2.gz CLPZYFCJOJUQJL-UHFFFAOYSA-N 0 0 179.175 1.735 10 0 ADAERN CCN1CCc2c(C=O)cccc21 257970618 573208500 /nfs/dbraw/zinc/20/85/00/573208500.db2.gz DJUYSLJHIDTCPG-UHFFFAOYSA-N 0 0 175.231 1.882 10 0 ADAERN Nc1cccc2c1CCC[C@H]2CO 257970609 573208506 /nfs/dbraw/zinc/20/85/06/573208506.db2.gz YPRZKZLYTVJAKN-QMMMGPOBSA-N 0 0 177.247 1.681 10 0 ADAERN CCCC[S@@](=O)[C@H]1CCC(=O)C1 82821646 573214660 /nfs/dbraw/zinc/21/46/60/573214660.db2.gz KLSJPUXLEAKGFA-CABZTGNLSA-N 0 0 188.292 1.657 10 0 ADAERN CC(C)c1nnn(C(C)C)c1C=O 257973175 573214662 /nfs/dbraw/zinc/21/46/62/573214662.db2.gz YVRAOFVDGBNJLF-UHFFFAOYSA-N 0 0 181.239 1.795 10 0 ADAERN Cc1noc(NC[C@H]2CCCCO2)n1 235965139 573211494 /nfs/dbraw/zinc/21/14/94/573211494.db2.gz UEWKDKBXYXSIMX-MRVPVSSYSA-N 0 0 197.238 1.359 10 0 ADAERN C[C@@H](O)C[C@@H](C)c1ccnn1C 82811259 573211497 /nfs/dbraw/zinc/21/14/97/573211497.db2.gz GMBMSTMMTAEOLR-HTQZYQBOSA-N 0 0 168.240 1.295 10 0 ADAERN C/C=C(C)/C=C\C(=O)N[C@@H](C)CO 308309129 573211503 /nfs/dbraw/zinc/21/15/03/573211503.db2.gz QATFJZGDYBMPAU-DUWWKNCPSA-N 0 0 183.251 1.006 10 0 ADAERN C[C@H](O)C[C@@H](C)c1cncnc1 82812250 573211509 /nfs/dbraw/zinc/21/15/09/573211509.db2.gz YWZOCSMJXRECNY-SFYZADRCSA-N 0 0 166.224 1.351 10 0 ADAERN COc1c([C@H](C)O)ccc(C)c1O 257970991 573211544 /nfs/dbraw/zinc/21/15/44/573211544.db2.gz CUBADOIUTNLVJE-ZETCQYMHSA-N 0 0 182.219 1.763 10 0 ADAERN C[C@@H](C[C@@H](C)O)c1cccnc1N 82812024 573211547 /nfs/dbraw/zinc/21/15/47/573211547.db2.gz PNUOJDLGFXOACE-JGVFFNPUSA-N 0 0 180.251 1.538 10 0 ADAERN CC(C)(C[C@H]1CCCCO1)ON 259374805 573211554 /nfs/dbraw/zinc/21/15/54/573211554.db2.gz GRGFINMZOVXSED-MRVPVSSYSA-N 0 0 173.256 1.615 10 0 ADAERN [NH3+][C@H]1CCCCC[C@H]1CCC(=O)[O-] 257971898 573211557 /nfs/dbraw/zinc/21/15/57/573211557.db2.gz YRAHPDDUMIEESO-IUCAKERBSA-N 0 0 185.267 1.759 10 0 ADAERN C[C@@H](Sc1cccc(N)c1)C(N)=O 85928069 573211574 /nfs/dbraw/zinc/21/15/74/573211574.db2.gz IEHWCSJSIXIHKE-ZCFIWIBFSA-N 0 0 196.275 1.235 10 0 ADAERN CCN1C=CN[C@@H]1SC 104713579 573211583 /nfs/dbraw/zinc/21/15/83/573211583.db2.gz DEOUFUJJQKHZNP-LURJTMIESA-N 0 0 144.243 1.029 10 0 ADAERN O[C@@H](CC1CC1)[C@H]1CCCCO1 123849942 573211606 /nfs/dbraw/zinc/21/16/06/573211606.db2.gz WZENCANFJADPFP-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN NOCCc1ccc2ncsc2c1 257970924 573211610 /nfs/dbraw/zinc/21/16/10/573211610.db2.gz CSLKDWUOGUBLIF-UHFFFAOYSA-N 0 0 194.259 1.729 10 0 ADAERN C[C@@H](C[C@@H](C)O)c1cccnc1 82811776 573211619 /nfs/dbraw/zinc/21/16/19/573211619.db2.gz JEKTYQHXKWYSGO-DTWKUNHWSA-N 0 0 165.236 1.956 10 0 ADAERN CCc1nc2c(c(=O)[nH]1)SCCC2 238307389 573214230 /nfs/dbraw/zinc/21/42/30/573214230.db2.gz CJKSQBFTDQUANC-UHFFFAOYSA-N 0 0 196.275 1.371 10 0 ADAERN CN(C)C(=O)Nc1ccc(N)cc1F 85955998 573214251 /nfs/dbraw/zinc/21/42/51/573214251.db2.gz GPRVLJROIZFAFE-UHFFFAOYSA-N 0 0 197.213 1.501 10 0 ADAERN CC(=O)CCN(C)C(=O)C(C)(F)F 393509625 573214264 /nfs/dbraw/zinc/21/42/64/573214264.db2.gz YRORNSAYYTXYOY-UHFFFAOYSA-N 0 0 193.193 1.079 10 0 ADAERN CC(C)C[S@@](=O)[C@H]1CCC(=O)C1 82821634 573214265 /nfs/dbraw/zinc/21/42/65/573214265.db2.gz VVBRHOQOIYQCOE-CABZTGNLSA-N 0 0 188.292 1.513 10 0 ADAERN CCC1([C@@H]2C[NH2+]C[C@@H](C)O2)CCC1 686127977 573214269 /nfs/dbraw/zinc/21/42/69/573214269.db2.gz GWIDUISFDZFLSV-ZJUUUORDSA-N 0 0 183.295 1.944 10 0 ADAERN CC[S@](=O)[C@H]1CCCC(=O)C1 82819747 573214270 /nfs/dbraw/zinc/21/42/70/573214270.db2.gz JCHLGAMNXPHOAR-GZMMTYOYSA-N 0 0 174.265 1.267 10 0 ADAERN CC(C)C[S@@](=O)[C@@H]1CCC(=O)C1 82821632 573214276 /nfs/dbraw/zinc/21/42/76/573214276.db2.gz VVBRHOQOIYQCOE-SKDRFNHKSA-N 0 0 188.292 1.513 10 0 ADAERN O=C1CC[C@@H](Sc2ccncn2)C1 82819895 573214281 /nfs/dbraw/zinc/21/42/81/573214281.db2.gz CLYVKUVPWNJZGN-MRVPVSSYSA-N 0 0 194.259 1.690 10 0 ADAERN O=C1CC[C@@H](Sc2cnccn2)C1 82819889 573214282 /nfs/dbraw/zinc/21/42/82/573214282.db2.gz GSQRBXFMKHOFJF-MRVPVSSYSA-N 0 0 194.259 1.690 10 0 ADAERN O=C1CC[C@@H](Sc2nc[nH]n2)C1 82819837 573214291 /nfs/dbraw/zinc/21/42/91/573214291.db2.gz BIOAOZMOAYEETI-ZCFIWIBFSA-N 0 0 183.236 1.018 10 0 ADAERN Cc1cc2cccnc2n1CCO 226063776 573214301 /nfs/dbraw/zinc/21/43/01/573214301.db2.gz INLGCKQYKPWVJC-UHFFFAOYSA-N 0 0 176.219 1.337 10 0 ADAERN CN(C)C(=O)Nc1ccc(F)cc1N 85955906 573214302 /nfs/dbraw/zinc/21/43/02/573214302.db2.gz YNTLKEJJCUXRHP-UHFFFAOYSA-N 0 0 197.213 1.501 10 0 ADAERN CCC1([C@H]2C[NH2+]C[C@@H](C)O2)CCC1 686127968 573214316 /nfs/dbraw/zinc/21/43/16/573214316.db2.gz GWIDUISFDZFLSV-NXEZZACHSA-N 0 0 183.295 1.944 10 0 ADAERN CCSc1nc(C=O)c(C)c(=O)[nH]1 238307519 573214323 /nfs/dbraw/zinc/21/43/23/573214323.db2.gz ADMOPWZLQPFNSZ-UHFFFAOYSA-N 0 0 198.247 1.003 10 0 ADAERN Cc1cnn(-c2ccc(N)c(N)c2)c1 235969603 573214334 /nfs/dbraw/zinc/21/43/34/573214334.db2.gz KOKIVACBDANXFE-UHFFFAOYSA-N 0 0 188.234 1.345 10 0 ADAERN CCC[S@](=O)[C@H]1CCC(=O)C1 82821611 573214353 /nfs/dbraw/zinc/21/43/53/573214353.db2.gz FTBRCQKDKSMUJB-GZMMTYOYSA-N 0 0 174.265 1.267 10 0 ADAERN CC[C@H]1NC(=S)[C@@H]1CC 104711651 573214359 /nfs/dbraw/zinc/21/43/59/573214359.db2.gz GAVXDGVJSIAUFR-PHDIDXHHSA-N 0 0 143.255 1.722 10 0 ADAERN CCS[C@@H]1CCC(=O)C1 82819828 573214381 /nfs/dbraw/zinc/21/43/81/573214381.db2.gz GPJVBKXCMCIEFW-SSDOTTSWSA-N 0 0 144.239 1.861 10 0 ADAERN O=C1CCC[C@H](Sc2nc[nH]n2)C1 82818393 573214386 /nfs/dbraw/zinc/21/43/86/573214386.db2.gz BIXVDRBUMBAKJY-ZETCQYMHSA-N 0 0 197.263 1.409 10 0 ADAERN CO[C@@H](CO)Cc1ccc(F)cc1 257973060 573214402 /nfs/dbraw/zinc/21/44/02/573214402.db2.gz YUCWKVITJOYBND-SNVBAGLBSA-N 0 0 184.210 1.376 10 0 ADAERN CC[C@@H]1NC(=S)[C@H]1CC 104711648 573214404 /nfs/dbraw/zinc/21/44/04/573214404.db2.gz GAVXDGVJSIAUFR-WDSKDSINSA-N 0 0 143.255 1.722 10 0 ADAERN O=C1CSC(c2nccs2)=N1 115730074 573214407 /nfs/dbraw/zinc/21/44/07/573214407.db2.gz XQHISZUUSXDYBT-UHFFFAOYSA-N 0 0 184.245 1.163 10 0 ADAERN CC(C)[S@](=O)[C@@H]1CCC(=O)C1 82821657 573214411 /nfs/dbraw/zinc/21/44/11/573214411.db2.gz JEGXPYPPRYMIEC-LDYMZIIASA-N 0 0 174.265 1.265 10 0 ADAERN COc1ccccc1NCO 258586156 573214417 /nfs/dbraw/zinc/21/44/17/573214417.db2.gz FSQLPJJVJKLDSX-UHFFFAOYSA-N 0 0 153.181 1.057 10 0 ADAERN NC(=O)Cc1cccc2occc12 115740612 573214419 /nfs/dbraw/zinc/21/44/19/573214419.db2.gz BIVZVSIMVXNTKY-UHFFFAOYSA-N 0 0 175.187 1.461 10 0 ADAERN C[C@@H]1C=CNC(Cl)=N1 104713500 573214421 /nfs/dbraw/zinc/21/44/21/573214421.db2.gz JIJSEJIJJISWFU-SCSAIBSYSA-N 0 0 130.578 1.087 10 0 ADAERN CCn1c(C=O)nc2c1CCCC2 238313841 573214422 /nfs/dbraw/zinc/21/44/22/573214422.db2.gz RGVRLCPKNNIMQT-UHFFFAOYSA-N 0 0 178.235 1.594 10 0 ADAERN CCS[C@@H]1NC=CN1C 104715459 573214443 /nfs/dbraw/zinc/21/44/43/573214443.db2.gz RFUCSKXRQZGYGD-ZCFIWIBFSA-N 0 0 144.243 1.029 10 0 ADAERN Cc1noc(NCC[C@H]2CCCO2)n1 235964514 573214447 /nfs/dbraw/zinc/21/44/47/573214447.db2.gz RQMSVAZAGXDCEW-MRVPVSSYSA-N 0 0 197.238 1.359 10 0 ADAERN CC[C@H](CO)CCC1OCCO1 238307201 573214453 /nfs/dbraw/zinc/21/44/53/573214453.db2.gz IYSYPHJFAMKYKV-QMMMGPOBSA-N 0 0 174.240 1.158 10 0 ADAERN CC=C=C[C@H](CC)CO 238307101 573214462 /nfs/dbraw/zinc/21/44/62/573214462.db2.gz CQYJFNLUVMKHNV-DWHDZERNSA-N 0 0 126.199 1.736 10 0 ADAERN OCc1c(F)ccc2c1OCC2 257974405 573214472 /nfs/dbraw/zinc/21/44/72/573214472.db2.gz IRYJDZOTUIXSSP-UHFFFAOYSA-N 0 0 168.167 1.253 10 0 ADAERN CN(C)C(=O)Nc1cc(F)ccc1N 85957063 573214474 /nfs/dbraw/zinc/21/44/74/573214474.db2.gz WCFQEYSEVGTXCC-UHFFFAOYSA-N 0 0 197.213 1.501 10 0 ADAERN Cc1noc(-c2cc(O)ccc2O)n1 235968919 573214494 /nfs/dbraw/zinc/21/44/94/573214494.db2.gz BTTPJUVANVWCSF-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN Cc1cc(F)ccc1CC(=O)[C@H](C)O 235542313 573214511 /nfs/dbraw/zinc/21/45/11/573214511.db2.gz DTPNCRKUAVFGHN-QMMMGPOBSA-N 0 0 196.221 1.627 10 0 ADAERN C[C@H](O)CC(C)(C)[C@H]1CCOC1 82817084 573214519 /nfs/dbraw/zinc/21/45/19/573214519.db2.gz YGSWNMSJVSFKSZ-IUCAKERBSA-N 0 0 172.268 1.820 10 0 ADAERN Oc1cccc2c1[C@H]1C[C@H]1CN2 258586782 573214539 /nfs/dbraw/zinc/21/45/39/573214539.db2.gz STXGUIAJTUYVKE-BQBZGAKWSA-N 0 0 161.204 1.921 10 0 ADAERN COCc1ccccc1CON 257974424 573214584 /nfs/dbraw/zinc/21/45/84/573214584.db2.gz ISUGAHGPFVGWRE-UHFFFAOYSA-N 0 0 167.208 1.223 10 0 ADAERN COC(=O)[C@@H](F)[C@@H]1CCCCO1 257974505 573214592 /nfs/dbraw/zinc/21/45/92/573214592.db2.gz YWTLGKJFSWSPCD-BQBZGAKWSA-N 0 0 176.187 1.067 10 0 ADAERN CCC[C@H](C)n1ccnc1C(N)=S 233343612 573214601 /nfs/dbraw/zinc/21/46/01/573214601.db2.gz KVOVEHZFMFBNPK-ZETCQYMHSA-N 0 0 197.307 1.878 10 0 ADAERN Cc1ccc(CC(=O)[C@H](C)O)cc1 235542096 573214606 /nfs/dbraw/zinc/21/46/06/573214606.db2.gz JXAXWMDPOSZSCL-VIFPVBQESA-N 0 0 178.231 1.487 10 0 ADAERN Cc1cnnc(NCc2cc[nH]n2)c1 235978336 573214616 /nfs/dbraw/zinc/21/46/16/573214616.db2.gz LUDVBLOVYZBHGT-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN CC(C)(C)C[NH2+]Cc1ccc(N)cn1 129065506 573214624 /nfs/dbraw/zinc/21/46/24/573214624.db2.gz BYQBKRVAIGWAOK-UHFFFAOYSA-N 0 0 193.294 1.800 10 0 ADAERN Cc1ccc(C)c(CCON)c1O 257974564 573214628 /nfs/dbraw/zinc/21/46/28/573214628.db2.gz IVYIXQIUKIBIKE-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN C[C@H]1CN[C@@H](c2ccco2)OC1 258487800 573218001 /nfs/dbraw/zinc/21/80/01/573218001.db2.gz LOGHJXBXGNHOFR-IONNQARKSA-N 0 0 167.208 1.534 10 0 ADAERN Cc1n[nH]c2cccc([C@@H](C)O)c12 257974467 573218017 /nfs/dbraw/zinc/21/80/17/573218017.db2.gz IUFJGZNXCZYMOR-SSDOTTSWSA-N 0 0 176.219 1.925 10 0 ADAERN CCN(Cc1ccc(N)cc1F)OC 308517668 573218024 /nfs/dbraw/zinc/21/80/24/573218024.db2.gz GAPRJIKXQCUKIN-UHFFFAOYSA-N 0 0 198.241 1.791 10 0 ADAERN Cc1n[nH]c2cccc([C@H](C)O)c12 257974468 573218039 /nfs/dbraw/zinc/21/80/39/573218039.db2.gz IUFJGZNXCZYMOR-ZETCQYMHSA-N 0 0 176.219 1.925 10 0 ADAERN CCc1cc(CO)n(C2CC2)n1 238307892 573218040 /nfs/dbraw/zinc/21/80/40/573218040.db2.gz GUTSTOAFEXRFRJ-UHFFFAOYSA-N 0 0 166.224 1.273 10 0 ADAERN CNOCCc1cccc(F)c1 258588777 573218045 /nfs/dbraw/zinc/21/80/45/573218045.db2.gz SZYYRUSASXOVPZ-UHFFFAOYSA-N 0 0 169.199 1.519 10 0 ADAERN CCON(C)C(=O)c1coc(C)n1 308316947 573218051 /nfs/dbraw/zinc/21/80/51/573218051.db2.gz XOUNMRMNAACSJU-UHFFFAOYSA-N 0 0 184.195 1.007 10 0 ADAERN O=Cc1cnc2cccc(F)n12 258588869 573218067 /nfs/dbraw/zinc/21/80/67/573218067.db2.gz TXFMYCSCZRXEBK-UHFFFAOYSA-N 0 0 164.139 1.286 10 0 ADAERN CCN(CC)c1cc(NC)n(C)n1 107305486 573218074 /nfs/dbraw/zinc/21/80/74/573218074.db2.gz IGBFGTGIKCWLBR-UHFFFAOYSA-N 0 0 182.271 1.308 10 0 ADAERN CC[NH2+]C1(C(=O)[O-])C[C@@H](C)C[C@H](C)C1 82831179 573218086 /nfs/dbraw/zinc/21/80/86/573218086.db2.gz ITDBTTULJPJPTR-IUCAKERBSA-N 0 0 199.294 1.875 10 0 ADAERN Nc1cnoc1Cc1ccc(O)cc1 259377455 573218094 /nfs/dbraw/zinc/21/80/94/573218094.db2.gz VWYGLFXJUAIJOS-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN C[C@@H]1Cc2nnc(N)cc2[C@H](C)C1 82831343 573218101 /nfs/dbraw/zinc/21/81/01/573218101.db2.gz PPKQTVRFDIFZIJ-NKWVEPMBSA-N 0 0 177.251 1.745 10 0 ADAERN OC[C@@H]1Cc2ccc(F)cc21 258588840 573218121 /nfs/dbraw/zinc/21/81/21/573218121.db2.gz TVDYEBFEQPPYNO-ZETCQYMHSA-N 0 0 152.168 1.458 10 0 ADAERN CCC[C@H]1NC(=O)[C@H]1CC 104720913 573218124 /nfs/dbraw/zinc/21/81/24/573218124.db2.gz DTGHSQKWHWCKGE-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(CC(=O)NC2=O)C1 82830521 573218131 /nfs/dbraw/zinc/21/81/31/573218131.db2.gz BKIFLOAJXPPFSM-HTQZYQBOSA-N 0 0 195.262 1.475 10 0 ADAERN CC[C@@H]1CCCCNC(=O)C1 238307818 573218170 /nfs/dbraw/zinc/21/81/70/573218170.db2.gz ZRJBUGPMLIOLCQ-MRVPVSSYSA-N 0 0 155.241 1.703 10 0 ADAERN CCSCCNN1CCCCC1 129073251 573218205 /nfs/dbraw/zinc/21/82/05/573218205.db2.gz YIZXCOASVBIQSZ-UHFFFAOYSA-N 0 0 188.340 1.730 10 0 ADAERN Cc1nc2cc(O)cc(C)c2[nH]1 115748548 573218256 /nfs/dbraw/zinc/21/82/56/573218256.db2.gz FAJHVSQRGYKNAB-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN COCC[C@H](COC)n1cccc1 308316723 573218264 /nfs/dbraw/zinc/21/82/64/573218264.db2.gz XJDDOHYTQLCYAQ-SNVBAGLBSA-N 0 0 183.251 1.712 10 0 ADAERN C[C@@H]1Cc2nc(CO)[nH]c2[C@@H](C)C1 82831922 573218267 /nfs/dbraw/zinc/21/82/67/573218267.db2.gz QLYSSAWMYSUBPD-BQBZGAKWSA-N 0 0 180.251 1.588 10 0 ADAERN CCSCCCNOCCOC 129066683 573218270 /nfs/dbraw/zinc/21/82/70/573218270.db2.gz BJSLHSYMSXWKRG-UHFFFAOYSA-N 0 0 193.312 1.297 10 0 ADAERN CC[C@]1(C)O[C@@](C)(CC)[C@@H](O)C1=O 238307619 573218281 /nfs/dbraw/zinc/21/82/81/573218281.db2.gz NQMCTZLOVLAXQD-HGNGGELXSA-N 0 0 186.251 1.284 10 0 ADAERN NOCCC[C@@H]1CCSC1 257973244 573218310 /nfs/dbraw/zinc/21/83/10/573218310.db2.gz OCPKSBVDPJLJJH-SSDOTTSWSA-N 0 0 161.270 1.410 10 0 ADAERN CCC(C)(C)CNC(=O)[C@@H]1CCO1 308319686 573218324 /nfs/dbraw/zinc/21/83/24/573218324.db2.gz XUZODTKIGJWRJK-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@H]1C[C@H](C)CC(C(=O)[O-])([NH+](C)C)C1 82831797 573218332 /nfs/dbraw/zinc/21/83/32/573218332.db2.gz YCCDHKZBRZCBHH-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CC(OCCO)C[C@@H](C)C1 82834542 573218352 /nfs/dbraw/zinc/21/83/52/573218352.db2.gz HHIANKANWYKKIG-IUCAKERBSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)C1=CC[C@@H](F)CC1 258588853 573218358 /nfs/dbraw/zinc/21/83/58/573218358.db2.gz TVXKRWLJSGEDRT-SSDOTTSWSA-N 0 0 158.172 1.608 10 0 ADAERN CCC(=[NH2+])SCC(=O)[O-] 104726014 573218362 /nfs/dbraw/zinc/21/83/62/573218362.db2.gz UHVKYLILQFYVRY-UHFFFAOYSA-N 0 0 147.199 1.191 10 0 ADAERN CCn1cnc([C@H](NN)[C@@H]2C[C@@H]2C)c1 308517653 573218364 /nfs/dbraw/zinc/21/83/64/573218364.db2.gz FZSGFXANLSRLQU-QXFUBDJGSA-N 0 0 194.282 1.063 10 0 ADAERN COc1ncc(CN2CCC2)cc1F 1144450705 758147862 /nfs/dbraw/zinc/14/78/62/758147862.db2.gz CTIHQFMHNHLNBZ-UHFFFAOYSA-N 0 0 196.225 1.435 10 0 ADAERN C/C=C/[C@H](O)[C@H](C)OCC 238307776 573218367 /nfs/dbraw/zinc/21/83/67/573218367.db2.gz JDYQMYMHTKCFRM-ICLDZVTRSA-N 0 0 144.214 1.348 10 0 ADAERN CC[C@H](C)C1=NC(=S)N[C@H](C)C1 238308507 573218382 /nfs/dbraw/zinc/21/83/82/573218382.db2.gz RFWHNZQXYMDKMW-NKWVEPMBSA-N 0 0 184.308 1.783 10 0 ADAERN C[C@H](O)CNN1[C@H](C)CCC[C@H]1C 235544522 573218389 /nfs/dbraw/zinc/21/83/89/573218389.db2.gz OXAHUOZNZHEVER-BBBLOLIVSA-N 0 0 186.299 1.135 10 0 ADAERN CCOc1cnn([C@@H](C)CC(C)=O)c1 308517373 573218420 /nfs/dbraw/zinc/21/84/20/573218420.db2.gz FVNPLXAGBLNMHJ-QMMMGPOBSA-N 0 0 196.250 1.822 10 0 ADAERN C[C@@H]1CN[C@H](c2ccco2)OC1 258487792 573218421 /nfs/dbraw/zinc/21/84/21/573218421.db2.gz LOGHJXBXGNHOFR-APPZFPTMSA-N 0 0 167.208 1.534 10 0 ADAERN C[C@H](O)C(=O)CCC(C)(C)C 235541165 573218435 /nfs/dbraw/zinc/21/84/35/573218435.db2.gz ZHTDCZMPRPJMIT-ZETCQYMHSA-N 0 0 158.241 1.763 10 0 ADAERN CCc1oc(CO)nc1C 258588806 573218452 /nfs/dbraw/zinc/21/84/52/573218452.db2.gz TULKBKYYWFIYIY-UHFFFAOYSA-N 0 0 141.170 1.038 10 0 ADAERN Clc1cnn2ccncc12 258588705 573218463 /nfs/dbraw/zinc/21/84/63/573218463.db2.gz SYBGTFKMLYGDRL-UHFFFAOYSA-N 0 0 153.572 1.383 10 0 ADAERN O=C(c1cc[nH]c1)N1CC=CC1 1146877567 758150682 /nfs/dbraw/zinc/15/06/82/758150682.db2.gz IVGTXOUYDSGSBI-UHFFFAOYSA-N 0 0 162.192 1.027 10 0 ADAERN C[C@H](O)C(=O)C[C@H]1Cc2ccccc21 235541630 573218473 /nfs/dbraw/zinc/21/84/73/573218473.db2.gz YRCFTIJPTKTOHB-WCBMZHEXSA-N 0 0 190.242 1.666 10 0 ADAERN C[C@@H](O)c1cc(Cl)nnc1F 197203072 573218483 /nfs/dbraw/zinc/21/84/83/573218483.db2.gz SYUFFESZPDGNQY-GSVOUGTGSA-N 0 0 176.578 1.322 10 0 ADAERN C[C@]1(CO)CCc2cccc(O)c2N1 257974259 573218501 /nfs/dbraw/zinc/21/85/01/573218501.db2.gz AIBYOOQMLKLHMD-LLVKDONJSA-N 0 0 193.246 1.501 10 0 ADAERN Cc1[nH+]cc(C(=O)[O-])n1CC(C)C 77601761 573218513 /nfs/dbraw/zinc/21/85/13/573218513.db2.gz CREJQGGTZSFATN-UHFFFAOYSA-N 0 0 182.223 1.546 10 0 ADAERN CC(C)N(C(=O)c1cc[nH]n1)C(C)C 1146825955 758152138 /nfs/dbraw/zinc/15/21/38/758152138.db2.gz NRKXKSDVBDSFQT-UHFFFAOYSA-N 0 0 195.266 1.669 10 0 ADAERN CSC(NC#N)SC 104724548 573218535 /nfs/dbraw/zinc/21/85/35/573218535.db2.gz JVNQWRIJIRUKAV-UHFFFAOYSA-N 0 0 148.256 1.067 10 0 ADAERN CC[C@H](O)C(=O)N[C@@H](C)[C@H](C)CC 308316732 573218554 /nfs/dbraw/zinc/21/85/54/573218554.db2.gz VYDVNJJYINVIHN-VGMNWLOBSA-N 0 0 187.283 1.308 10 0 ADAERN Cc1ccc(CC(=O)[C@H](C)O)cc1C 235542080 573218890 /nfs/dbraw/zinc/21/88/90/573218890.db2.gz DPXLRBKPMVTSEF-JTQLQIEISA-N 0 0 192.258 1.796 10 0 ADAERN C/C=C(/C)C(=O)NCC[C@H](O)C(C)C 1147039409 758154763 /nfs/dbraw/zinc/15/47/63/758154763.db2.gz AHGCDEUCNFOABW-BSKOKIOFSA-N 0 0 199.294 1.476 10 0 ADAERN C[C@H](O)[C@@H]1CSc2ccccc2O1 235548429 573218909 /nfs/dbraw/zinc/21/89/09/573218909.db2.gz RAEAVKWJBXELSJ-CBAPKCEASA-N 0 0 196.271 1.921 10 0 ADAERN C/C=C(\C)C(=O)NCC[C@H](O)C(C)C 1147039410 758155369 /nfs/dbraw/zinc/15/53/69/758155369.db2.gz AHGCDEUCNFOABW-CYNRKNSPSA-N 0 0 199.294 1.476 10 0 ADAERN O=C(N[C@@H]1C[C@H]1F)c1ccco1 1147096249 758155408 /nfs/dbraw/zinc/15/54/08/758155408.db2.gz GKJGKVCEGNUBKD-PHDIDXHHSA-N 0 0 169.155 1.120 10 0 ADAERN C/C=C(\C)C(=O)NCC[C@@H](O)C(C)C 1147039412 758155816 /nfs/dbraw/zinc/15/58/16/758155816.db2.gz AHGCDEUCNFOABW-NAZIUFLLSA-N 0 0 199.294 1.476 10 0 ADAERN COC(=O)[C@@](C)(F)c1ccco1 257973032 573218941 /nfs/dbraw/zinc/21/89/41/573218941.db2.gz YTRQCIRDZFMBEU-QMMMGPOBSA-N 0 0 172.155 1.637 10 0 ADAERN COC(=O)C1(O)C[C@@H](C)C[C@H](C)C1 82831936 573218954 /nfs/dbraw/zinc/21/89/54/573218954.db2.gz SBIURSDZAPCMTK-YUMQZZPRSA-N 0 0 186.251 1.347 10 0 ADAERN C[C@@H]1Cc2nc(N)ncc2[C@@H](C)C1 82831903 573218965 /nfs/dbraw/zinc/21/89/65/573218965.db2.gz XLMGILJYVDNCJS-BQBZGAKWSA-N 0 0 177.251 1.745 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1NC1=NCCO1 238308566 573218975 /nfs/dbraw/zinc/21/89/75/573218975.db2.gz BOQRGNPFKGUMHC-ZJUUUORDSA-N 0 0 196.294 1.931 10 0 ADAERN C/C=C(/C)C(=O)NCC[C@@H](O)C(C)C 1147039411 758157382 /nfs/dbraw/zinc/15/73/82/758157382.db2.gz AHGCDEUCNFOABW-HYHWUIIZSA-N 0 0 199.294 1.476 10 0 ADAERN C[C@H](O)C(=O)Cc1cccc(Cl)c1 235542437 573219003 /nfs/dbraw/zinc/21/90/03/573219003.db2.gz WAIQJSRUODFBNC-ZETCQYMHSA-N 0 0 198.649 1.832 10 0 ADAERN OC[C@H]1Cc2ccc(F)cc21 258588838 573219011 /nfs/dbraw/zinc/21/90/11/573219011.db2.gz TVDYEBFEQPPYNO-SSDOTTSWSA-N 0 0 152.168 1.458 10 0 ADAERN CC[C@H]1CC[C@@](CC)(C(=O)[O-])[NH2+]1 238308571 573219017 /nfs/dbraw/zinc/21/90/17/573219017.db2.gz VPVVCADDDZATDQ-CBAPKCEASA-N 0 0 171.240 1.382 10 0 ADAERN Cc1cc(O[C@H]2CCOC2)ncc1N 86003511 573219039 /nfs/dbraw/zinc/21/90/39/573219039.db2.gz DYUBWVHNIHUNMC-QMMMGPOBSA-N 0 0 194.234 1.140 10 0 ADAERN C[C@@H]1Cc2nnc(N)cc2[C@@H](C)C1 82831345 573219042 /nfs/dbraw/zinc/21/90/42/573219042.db2.gz PPKQTVRFDIFZIJ-BQBZGAKWSA-N 0 0 177.251 1.745 10 0 ADAERN C[C@H](O)C(=O)[C@H]1C[C@@H]1c1ccccc1 235543547 573219052 /nfs/dbraw/zinc/21/90/52/573219052.db2.gz QCAFWEDMJUZCHA-GDPRMGEGSA-N 0 0 190.242 1.740 10 0 ADAERN CCN(CC)C(=O)c1cnc(C)nc1 1146946594 758159287 /nfs/dbraw/zinc/15/92/87/758159287.db2.gz KAHNWHILPWETDE-UHFFFAOYSA-N 0 0 193.250 1.267 10 0 ADAERN CC[C@H](O)C(=O)N[C@H](C)[C@@H](C)CC 308316734 573219060 /nfs/dbraw/zinc/21/90/60/573219060.db2.gz VYDVNJJYINVIHN-YIZRAAEISA-N 0 0 187.283 1.308 10 0 ADAERN CCOC[C@H](C)OC(=O)[C@@H]1C[C@H]1C 308316390 573219070 /nfs/dbraw/zinc/21/90/70/573219070.db2.gz XEZNKKCOLCLPMT-HRDYMLBCSA-N 0 0 186.251 1.611 10 0 ADAERN CC[C@H](O)CP(C)(C)=O 238308227 573219080 /nfs/dbraw/zinc/21/90/80/573219080.db2.gz RTDIXQGNQRRIDH-LURJTMIESA-N 0 0 150.158 1.380 10 0 ADAERN C/C=C/CCNC(=O)c1nccn1C 125927011 573219082 /nfs/dbraw/zinc/21/90/82/573219082.db2.gz SXKGPUQMPJZTEZ-ONEGZZNKSA-N 0 0 193.250 1.116 10 0 ADAERN C=C/C=C/CC(=O)N[C@@H](C)CSC 1147216966 758160329 /nfs/dbraw/zinc/16/03/29/758160329.db2.gz FPRXKSMZGCRBHI-CYNONHLPSA-N 0 0 199.319 1.986 10 0 ADAERN O=Cc1c[nH]c(Cc2cccnc2)c1 82321961 573219113 /nfs/dbraw/zinc/21/91/13/573219113.db2.gz KBRSSEQEFUIQRJ-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN C=C/C=C/CC(=O)NCCCSC 1147198820 758161058 /nfs/dbraw/zinc/16/10/58/758161058.db2.gz JIQIQHGBUPMXBT-SNAWJCMRSA-N 0 0 199.319 1.988 10 0 ADAERN C[C@H]1Cc2nnc(N)cc2[C@H](C)C1 82831344 573219115 /nfs/dbraw/zinc/21/91/15/573219115.db2.gz PPKQTVRFDIFZIJ-RNFRBKRXSA-N 0 0 177.251 1.745 10 0 ADAERN C=C/C=C/CC(=O)NCCSC 1147135896 758161134 /nfs/dbraw/zinc/16/11/34/758161134.db2.gz BVXSTTJAEQJWFB-SNAWJCMRSA-N 0 0 185.292 1.598 10 0 ADAERN CC(C)(ON)c1cccc(F)c1 259378228 573219120 /nfs/dbraw/zinc/21/91/20/573219120.db2.gz GXDMNQNAUOAEDT-UHFFFAOYSA-N 0 0 169.199 1.951 10 0 ADAERN C=C/C=C\CC(=O)NCCSC 1147135895 758162784 /nfs/dbraw/zinc/16/27/84/758162784.db2.gz BVXSTTJAEQJWFB-PLNGDYQASA-N 0 0 185.292 1.598 10 0 ADAERN CCOC[C@H](C)OC(=O)[C@H]1C[C@H]1C 308316392 573219158 /nfs/dbraw/zinc/21/91/58/573219158.db2.gz XEZNKKCOLCLPMT-VGMNWLOBSA-N 0 0 186.251 1.611 10 0 ADAERN Cc1c(Cl)cnn1C[C@@H](O)C1CC1 642829305 573219160 /nfs/dbraw/zinc/21/91/60/573219160.db2.gz OQDGVNJGHTVSBX-SECBINFHSA-N 0 0 199.661 1.332 10 0 ADAERN C[C@H](O)C(=O)Cc1ccc(Cl)cc1 235542159 573219162 /nfs/dbraw/zinc/21/91/62/573219162.db2.gz HMVNWBBSABBSHL-ZETCQYMHSA-N 0 0 198.649 1.832 10 0 ADAERN C=C/C=C\CC(=O)N[C@@H](C)CSC 1147216968 758163064 /nfs/dbraw/zinc/16/30/64/758163064.db2.gz FPRXKSMZGCRBHI-UDIARPCQSA-N 0 0 199.319 1.986 10 0 ADAERN C=C/C=C\CC(=O)NCCCSC 1147198819 758164122 /nfs/dbraw/zinc/16/41/22/758164122.db2.gz JIQIQHGBUPMXBT-PLNGDYQASA-N 0 0 199.319 1.988 10 0 ADAERN [NH2+]=Cc1ccccc1C(=O)[O-] 104723365 573219239 /nfs/dbraw/zinc/21/92/39/573219239.db2.gz OASZWBRILVKUNV-UHFFFAOYSA-N 0 0 149.149 1.382 10 0 ADAERN CCSc1nccc(NC)n1 238308449 573219242 /nfs/dbraw/zinc/21/92/42/573219242.db2.gz XXDXTFHBGACFCG-UHFFFAOYSA-N 0 0 169.253 1.630 10 0 ADAERN C=C/C=C\CC(=O)N[C@H](C)CSC 1147216967 758164346 /nfs/dbraw/zinc/16/43/46/758164346.db2.gz FPRXKSMZGCRBHI-SSJHQANKSA-N 0 0 199.319 1.986 10 0 ADAERN C[NH2+][C@H](CO)c1cccc([S-])c1 238308426 573219251 /nfs/dbraw/zinc/21/92/51/573219251.db2.gz AQTLZHVGXGPIDL-SECBINFHSA-N 0 0 183.276 1.228 10 0 ADAERN Cc1cnc2c(n1)NCCC2 104724573 573219262 /nfs/dbraw/zinc/21/92/62/573219262.db2.gz IDTDGASTXPLFJJ-UHFFFAOYSA-N 0 0 149.197 1.143 10 0 ADAERN C=C/C=C/CC(=O)N[C@H](C)CSC 1147216969 758164737 /nfs/dbraw/zinc/16/47/37/758164737.db2.gz FPRXKSMZGCRBHI-VUHVRTRXSA-N 0 0 199.319 1.986 10 0 ADAERN COCc1ccc[nH]1 104724582 573219266 /nfs/dbraw/zinc/21/92/66/573219266.db2.gz NNLJLOHWIPVZSZ-UHFFFAOYSA-N 0 0 111.144 1.161 10 0 ADAERN Nc1cc(CO)cc(F)c1F 259376942 573219280 /nfs/dbraw/zinc/21/92/80/573219280.db2.gz HUFMTINWRWVBPL-UHFFFAOYSA-N 0 0 159.135 1.039 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH2+]C)c1cc[nH]c1 259378133 573219308 /nfs/dbraw/zinc/21/93/08/573219308.db2.gz VOFHDJDOHUYNDW-IUCAKERBSA-N 0 0 196.250 1.386 10 0 ADAERN OCC1(c2cc[nH]c2)CC1 259380288 573219333 /nfs/dbraw/zinc/21/93/33/573219333.db2.gz VUNBINSLOQDWBN-UHFFFAOYSA-N 0 0 137.182 1.039 10 0 ADAERN C1CCn2nc([C@@H]3CCOC3)nc2C1 258238872 573219352 /nfs/dbraw/zinc/21/93/52/573219352.db2.gz HENDDFHSIWEHAJ-MRVPVSSYSA-N 0 0 193.250 1.118 10 0 ADAERN C/C(Cl)=C/C(=O)NCc1ccc[nH]1 1148121402 758167297 /nfs/dbraw/zinc/16/72/97/758167297.db2.gz KNUGAZHWBNHDIS-ALCCZGGFSA-N 0 0 198.653 1.774 10 0 ADAERN CCn1ncc2cc(C(N)=O)ccc21 238308598 573219356 /nfs/dbraw/zinc/21/93/56/573219356.db2.gz BKSBQSXKVUQHEE-UHFFFAOYSA-N 0 0 189.218 1.155 10 0 ADAERN C/C(Cl)=C\C(=O)NCc1ccc[nH]1 1148121403 758168294 /nfs/dbraw/zinc/16/82/94/758168294.db2.gz KNUGAZHWBNHDIS-FNORWQNLSA-N 0 0 198.653 1.774 10 0 ADAERN CC[C@H](C)COC(=O)c1ccon1 308316471 573219383 /nfs/dbraw/zinc/21/93/83/573219383.db2.gz VVMBUEWAIRNWSG-ZETCQYMHSA-N 0 0 183.207 1.878 10 0 ADAERN CC[C@]1(CC(=O)[O-])CCC[NH2+]C1 238309195 573220516 /nfs/dbraw/zinc/22/05/16/573220516.db2.gz QHYBBJOJVMQQSX-SECBINFHSA-N 0 0 171.240 1.241 10 0 ADAERN C/C=C(\C)C(=O)N(C)c1nncs1 308318987 573220518 /nfs/dbraw/zinc/22/05/18/573220518.db2.gz XJDNIAFVDUZVLN-GQCTYLIASA-N 0 0 197.263 1.467 10 0 ADAERN CCONCc1ncc(C2CC2)o1 308318256 573220527 /nfs/dbraw/zinc/22/05/27/573220527.db2.gz 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/nfs/dbraw/zinc/22/43/32/573224332.db2.gz NEGGCMCPSCYLFV-QMMMGPOBSA-N 0 0 171.240 1.369 10 0 ADAERN C[C@H](O)[C@@H]1CCCOCC1 82839735 573224343 /nfs/dbraw/zinc/22/43/43/573224343.db2.gz UBFKCIYFOXRMCB-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN CCc1cc(CO)c(C)n1C 259038371 573224360 /nfs/dbraw/zinc/22/43/60/573224360.db2.gz BZAJAPBQCRFILZ-UHFFFAOYSA-N 0 0 153.225 1.388 10 0 ADAERN CN1C[C@H](C(C)(C)C)NC1=O 238320919 573224365 /nfs/dbraw/zinc/22/43/65/573224365.db2.gz WSINWFKCLCFZKQ-ZCFIWIBFSA-N 0 0 156.229 1.056 10 0 ADAERN CC(C)(CO)c1ccccc1CNO 259382391 573224619 /nfs/dbraw/zinc/22/46/19/573224619.db2.gz IAFWSWVBKCEMAZ-UHFFFAOYSA-N 0 0 195.262 1.435 10 0 ADAERN CN(CCCCO)c1cccnc1 259037694 573224620 /nfs/dbraw/zinc/22/46/20/573224620.db2.gz PIDWYSDATZBWOE-UHFFFAOYSA-N 0 0 180.251 1.290 10 0 ADAERN CC[C@]1(c2ccc(C)cc2)CNC1=O 238320587 573224648 /nfs/dbraw/zinc/22/46/48/573224648.db2.gz IUBIREULIHZZJX-GFCCVEGCSA-N 0 0 189.258 1.773 10 0 ADAERN O=Cc1cc2oncc2cc1F 259379406 573224681 /nfs/dbraw/zinc/22/46/81/573224681.db2.gz JZQIGCGNEGENCA-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN CCC(=O)N[C@H](C)C[C@@H]1CCCO1 308317804 573224696 /nfs/dbraw/zinc/22/46/96/573224696.db2.gz WSJAERRHZCAHHA-BDAKNGLRSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@H]1C[C@]1(CO)c1ccncc1 259038233 573224699 /nfs/dbraw/zinc/22/46/99/573224699.db2.gz SKOQUWUFSWMAGB-WCBMZHEXSA-N 0 0 163.220 1.352 10 0 ADAERN Fc1ccc([C@H]2CNOC2)cc1 258592703 573224715 /nfs/dbraw/zinc/22/47/15/573224715.db2.gz UGDOHOJHLZIYRR-QMMMGPOBSA-N 0 0 167.183 1.444 10 0 ADAERN Cc1ccoc1CN(C)O 82838297 573224720 /nfs/dbraw/zinc/22/47/20/573224720.db2.gz ZCDONTWDEHVZIX-UHFFFAOYSA-N 0 0 141.170 1.409 10 0 ADAERN CCc1cnc(C(=O)OC)c(F)c1 238322027 573226722 /nfs/dbraw/zinc/22/67/22/573226722.db2.gz GDNDGGDXETWANM-UHFFFAOYSA-N 0 0 183.182 1.570 10 0 ADAERN COC[C@@H]1CCC[C@H](CCO)C1 257975847 573226748 /nfs/dbraw/zinc/22/67/48/573226748.db2.gz ZDCVTJXOIWUANG-NXEZZACHSA-N 0 0 172.268 1.822 10 0 ADAERN CC[C@H](CO)C(=O)OCC[C@H](C)F 308312601 573226759 /nfs/dbraw/zinc/22/67/59/573226759.db2.gz SKNDDKNFEWXKKI-JGVFFNPUSA-N 0 0 192.230 1.296 10 0 ADAERN C/C=C(C)/C=C\C(=O)N1CCCO1 308312027 573226765 /nfs/dbraw/zinc/22/67/65/573226765.db2.gz RZCLXTXAGYFXEX-JZDKOIQPSA-N 0 0 181.235 1.673 10 0 ADAERN CCOC[C@H](O)c1cnccc1OC 308519799 573226766 /nfs/dbraw/zinc/22/67/66/573226766.db2.gz XCAKKKIRDIREBU-VIFPVBQESA-N 0 0 197.234 1.160 10 0 ADAERN Nc1ccc2n1CCCC2=O 82840343 573226810 /nfs/dbraw/zinc/22/68/10/573226810.db2.gz CWKXIRNQLPFUNS-UHFFFAOYSA-N 0 0 150.181 1.047 10 0 ADAERN CCCN(OC)c1nccc(C)c1N 308520539 573226833 /nfs/dbraw/zinc/22/68/33/573226833.db2.gz HLFYELJYSDAUSI-UHFFFAOYSA-N 0 0 195.266 1.750 10 0 ADAERN CC(=O)c1coc([C@H]2CCCCN2)n1 257975470 573226847 /nfs/dbraw/zinc/22/68/47/573226847.db2.gz HGKWLIFEEIWNIR-MRVPVSSYSA-N 0 0 194.234 1.692 10 0 ADAERN COC(=O)c1cccc2c1C=CCO2 115902681 573226848 /nfs/dbraw/zinc/22/68/48/573226848.db2.gz NCYVCBWYMKECRH-UHFFFAOYSA-N 0 0 190.198 1.879 10 0 ADAERN CONCc1cc(C)co1 82838267 573226850 /nfs/dbraw/zinc/22/68/50/573226850.db2.gz GIKNHOQOAZMGAA-UHFFFAOYSA-N 0 0 141.170 1.239 10 0 ADAERN CCOc1ccc(NCCF)nn1 308319624 573226855 /nfs/dbraw/zinc/22/68/55/573226855.db2.gz ZMZBIMFQHYCLKF-UHFFFAOYSA-N 0 0 185.202 1.257 10 0 ADAERN COC(=O)c1c(C)ccc2oncc12 238321463 573226859 /nfs/dbraw/zinc/22/68/59/573226859.db2.gz YSCHLWJPCMFVOH-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN C/C=C\CCNC(=O)C1=CCCO1 308311549 573226867 /nfs/dbraw/zinc/22/68/67/573226867.db2.gz RUHUYXZZAWRJNZ-IHWYPQMZSA-N 0 0 181.235 1.373 10 0 ADAERN CN1C(=S)NC(C)(C)C1(C)C 238324471 573226904 /nfs/dbraw/zinc/22/69/04/573226904.db2.gz QKBWSHVCATYGNC-UHFFFAOYSA-N 0 0 172.297 1.364 10 0 ADAERN Cc1ccc(CNO)c(C)c1 82840873 573226922 /nfs/dbraw/zinc/22/69/22/573226922.db2.gz WRQGTDZCFZGDAS-UHFFFAOYSA-N 0 0 151.209 1.782 10 0 ADAERN CC[C@](C)(OC)C(=O)OC1CCC1 308312301 573226953 /nfs/dbraw/zinc/22/69/53/573226953.db2.gz SGBRSHKADQZACR-JTQLQIEISA-N 0 0 186.251 1.897 10 0 ADAERN C[C@@H]1C[NH+]([C@@H](C)CC(=O)[O-])C[C@H]1C 86010587 573226960 /nfs/dbraw/zinc/22/69/60/573226960.db2.gz LMRTZDHPVUGJHN-HLTSFMKQSA-N 0 0 185.267 1.437 10 0 ADAERN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCO1 308310982 573226961 /nfs/dbraw/zinc/22/69/61/573226961.db2.gz RHYCOJJVZNKVCX-DJLDLDEBSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1cc(C)n2c1C(=O)CC2 82840221 573226990 /nfs/dbraw/zinc/22/69/90/573226990.db2.gz SBWDTNJZAMVEKC-UHFFFAOYSA-N 0 0 149.193 1.691 10 0 ADAERN C/C=C\C(=O)OC[C@@H]1CCCOC1 308312288 573226991 /nfs/dbraw/zinc/22/69/91/573226991.db2.gz SFVDYXLLHAWSSH-FIFYQCSRSA-N 0 0 184.235 1.532 10 0 ADAERN CNc1nc(C(C)C)co1 258600875 573226993 /nfs/dbraw/zinc/22/69/93/573226993.db2.gz OEDPSTHTFIHELK-UHFFFAOYSA-N 0 0 140.186 1.840 10 0 ADAERN C/C=C/C(=O)OC[C@@H]1CCCOC1 308312289 573226999 /nfs/dbraw/zinc/22/69/99/573226999.db2.gz SFVDYXLLHAWSSH-HDMKULJXSA-N 0 0 184.235 1.532 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H](C(C)C)[NH+](C)C 259383485 573227009 /nfs/dbraw/zinc/22/70/09/573227009.db2.gz GTXIYHOKHYEYGE-BDAKNGLRSA-N 0 0 187.283 1.683 10 0 ADAERN CCc1cnc(C(C)=O)c(F)c1 238322152 573227030 /nfs/dbraw/zinc/22/70/30/573227030.db2.gz BTCINKQVLWNMIK-UHFFFAOYSA-N 0 0 167.183 1.986 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])[C@H](C)C1CCCCC1 308519749 573227035 /nfs/dbraw/zinc/22/70/35/573227035.db2.gz RANMEHPAIWJDIJ-PSASIEDQSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H]1C[C@H]1COC(=O)C1(C)COC1 308312529 573227050 /nfs/dbraw/zinc/22/70/50/573227050.db2.gz SHKMDLKTMXLUGR-YUMQZZPRSA-N 0 0 184.235 1.222 10 0 ADAERN CNOC/C=C/c1ccccc1OC 258596742 573227053 /nfs/dbraw/zinc/22/70/53/573227053.db2.gz NTSXBBUDKYZRHS-FNORWQNLSA-N 0 0 193.246 1.859 10 0 ADAERN CCCC[C@H](C)NN1CCN(C)CC1 214419547 573227065 /nfs/dbraw/zinc/22/70/65/573227065.db2.gz MJTXMIFVRWHLBZ-NSHDSACASA-N 0 0 199.342 1.317 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H](C(C)C)[NH+](C)C 259383488 573227068 /nfs/dbraw/zinc/22/70/68/573227068.db2.gz GTXIYHOKHYEYGE-DTWKUNHWSA-N 0 0 187.283 1.683 10 0 ADAERN CC[C@@H](C)ONC(=O)N(C)C(C)C 308310988 573227083 /nfs/dbraw/zinc/22/70/83/573227083.db2.gz RIAQIBGLKIJPFB-MRVPVSSYSA-N 0 0 188.271 1.766 10 0 ADAERN C[C@@H]1C[NH+](C[C@@H](C)C(=O)[O-])C[C@H]1C 86010452 573227093 /nfs/dbraw/zinc/22/70/93/573227093.db2.gz STIMHDXUHWLNBJ-IWSPIJDZSA-N 0 0 185.267 1.295 10 0 ADAERN O=C([O-])/C=C1/CC[N@@H+]2CCCC[C@H]12 123877906 573227096 /nfs/dbraw/zinc/22/70/96/573227096.db2.gz OGAYWRGCNOZDJI-UFGYOYAJSA-N 0 0 181.235 1.256 10 0 ADAERN O=c1ccncn1CCCC(F)F 688736909 573227114 /nfs/dbraw/zinc/22/71/14/573227114.db2.gz CKHDLNWTVAGCFS-UHFFFAOYSA-N 0 0 188.177 1.289 10 0 ADAERN CC[C@@H](CO)C(=O)OCC[C@H](C)F 308312603 573227125 /nfs/dbraw/zinc/22/71/25/573227125.db2.gz SKNDDKNFEWXKKI-YUMQZZPRSA-N 0 0 192.230 1.296 10 0 ADAERN O=Cc1ccc(C2(CO)CC2)cc1 257975832 573227135 /nfs/dbraw/zinc/22/71/35/573227135.db2.gz ZCYKMPPLJGBWLH-UHFFFAOYSA-N 0 0 176.215 1.523 10 0 ADAERN COC(=O)N[C@H]1CC[C@H](C)O[C@@H]1C 238321241 573227141 /nfs/dbraw/zinc/22/71/41/573227141.db2.gz KJMKDYFBFLSHGT-RNJXMRFFSA-N 0 0 187.239 1.298 10 0 ADAERN C[C@H]1Nc2c(O)cccc2SC1=O 259386476 573227574 /nfs/dbraw/zinc/22/75/74/573227574.db2.gz WOPBHKVMLAHLKW-RXMQYKEDSA-N 0 0 195.243 1.825 10 0 ADAERN C[C@@H]1CN(c2ncccc2N)C[C@@H]1C 86009506 573227578 /nfs/dbraw/zinc/22/75/78/573227578.db2.gz BKAYZMXLDLFWOC-DTORHVGOSA-N 0 0 191.278 1.756 10 0 ADAERN COc1cccc(OCC2COC2)c1 259037745 573227619 /nfs/dbraw/zinc/22/76/19/573227619.db2.gz KYJQKEIIBFBPRD-UHFFFAOYSA-N 0 0 194.230 1.720 10 0 ADAERN c1cnnc(NCCOC2CCC2)c1 308520181 573227623 /nfs/dbraw/zinc/22/76/23/573227623.db2.gz OMCQUEDJXMUVRT-UHFFFAOYSA-N 0 0 193.250 1.458 10 0 ADAERN C[NH+](C)[C@H](CCC(=O)[O-])C1CCC1 259386317 573227624 /nfs/dbraw/zinc/22/76/24/573227624.db2.gz GWAQEODAYBFGGU-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN COC(=O)[C@]1(O)CC[C@H](C)[C@@H](C)C1 82839131 573227629 /nfs/dbraw/zinc/22/76/29/573227629.db2.gz OYYMMRJPWIRFLD-NRPADANISA-N 0 0 186.251 1.347 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)c1ccon1 308312802 573227632 /nfs/dbraw/zinc/22/76/32/573227632.db2.gz SLGAUAKAKCNFEW-RQJHMYQMSA-N 0 0 181.191 1.487 10 0 ADAERN CC(C)(ON)c1ccncc1 259386150 573227648 /nfs/dbraw/zinc/22/76/48/573227648.db2.gz HNNUIPXOQUKKAC-UHFFFAOYSA-N 0 0 152.197 1.207 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@H](C)[C@H](C)C1 82838220 573227651 /nfs/dbraw/zinc/22/76/51/573227651.db2.gz TXTWGQUUOBHPFZ-IQJOONFLSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1ccc(C)c(CNO)c1 82840875 573227662 /nfs/dbraw/zinc/22/76/62/573227662.db2.gz JCMNVIWMLVJUDH-UHFFFAOYSA-N 0 0 151.209 1.782 10 0 ADAERN C/C=C(\C)C(=O)NCc1cncs1 308311553 573227712 /nfs/dbraw/zinc/22/77/12/573227712.db2.gz RUMNAZVQQOUHJU-XVNBXDOJSA-N 0 0 196.275 1.726 10 0 ADAERN CNC(=O)C12CCC(CC1)C2(C)C 238321524 573227730 /nfs/dbraw/zinc/22/77/30/573227730.db2.gz OFKBXNGENVVBJN-UHFFFAOYSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H]1C[C@@H](OC(=O)[C@@H](C)N)CC[C@H]1C 82840036 573227732 /nfs/dbraw/zinc/22/77/32/573227732.db2.gz XDASFLZIDNKEFW-RGOKHQFPSA-N 0 0 199.294 1.702 10 0 ADAERN C[NH+](C)C[C@@H]1CC(C)(C)[C@@H]2C[C@@H]2C1=O 238321466 573227747 /nfs/dbraw/zinc/22/77/47/573227747.db2.gz VGDWEHUZZZGZTP-LPEHRKFASA-N 0 0 195.306 1.799 10 0 ADAERN CC(C)(C)C(=O)N1C[C@@H](O)CC1(C)C 259040091 573227750 /nfs/dbraw/zinc/22/77/50/573227750.db2.gz GAKZLONXSQFTJL-QMMMGPOBSA-N 0 0 199.294 1.404 10 0 ADAERN O=Cc1c(F)c(O)cc2c1OCO2 257975808 573227756 /nfs/dbraw/zinc/22/77/56/573227756.db2.gz ZCAPQTDMSLSASJ-UHFFFAOYSA-N 0 0 184.122 1.073 10 0 ADAERN CC[C@]1(c2ccccc2C)CNC1=O 238321464 573227786 /nfs/dbraw/zinc/22/77/86/573227786.db2.gz OUFULNMWQOJDEQ-GFCCVEGCSA-N 0 0 189.258 1.773 10 0 ADAERN C/C=C\C(=O)OCc1cc(C)no1 308312794 573227833 /nfs/dbraw/zinc/22/78/33/573227833.db2.gz SKVOCDMTMBFPHY-ARJAWSKDSA-N 0 0 181.191 1.602 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)CC(=O)NC2=O 82836321 573227835 /nfs/dbraw/zinc/22/78/35/573227835.db2.gz NQAPVZQUQYPTAY-FYBVGQRMSA-N 0 0 195.262 1.475 10 0 ADAERN CS[C@H](C)CNC(=O)/C=C\C1CC1 308312702 573227856 /nfs/dbraw/zinc/22/78/56/573227856.db2.gz TWUUWANRSQYGFE-RPSMYOMKSA-N 0 0 199.319 1.820 10 0 ADAERN Nc1ccc(F)cc1CCCCO 257975741 573227861 /nfs/dbraw/zinc/22/78/61/573227861.db2.gz ZAPGVLNGVPTHTN-UHFFFAOYSA-N 0 0 183.226 1.723 10 0 ADAERN CC(C)n1nnc(N)c1C1CCC1 257975856 573227885 /nfs/dbraw/zinc/22/78/85/573227885.db2.gz ZDEJHLCEIXQNFS-UHFFFAOYSA-N 0 0 180.255 1.709 10 0 ADAERN C[C@H]1C[NH+](CC(C)(C)C(=O)[O-])C[C@@H]1C 86012300 573227902 /nfs/dbraw/zinc/22/79/02/573227902.db2.gz STOMOIRLLWWZRH-IUCAKERBSA-N 0 0 199.294 1.685 10 0 ADAERN C/C=C\C(=O)OC[C@H]1CCCOC1 308312291 573227946 /nfs/dbraw/zinc/22/79/46/573227946.db2.gz SFVDYXLLHAWSSH-MDHMXLOGSA-N 0 0 184.235 1.532 10 0 ADAERN CC[C@H](C)C[C@@]1(CC)NCC(=O)N1C 308520179 573227948 /nfs/dbraw/zinc/22/79/48/573227948.db2.gz OLZWKLVQNKREMO-ONGXEEELSA-N 0 0 198.310 1.591 10 0 ADAERN CCOc1cnn([C@H](C)[C@@H](O)CC)c1 308520769 573227977 /nfs/dbraw/zinc/22/79/77/573227977.db2.gz HNDCPFOJCNVVOH-SCZZXKLOSA-N 0 0 198.266 1.614 10 0 ADAERN C[C@@H]1CN(c2ccc(N)cn2)C[C@H]1C 86009769 573227985 /nfs/dbraw/zinc/22/79/85/573227985.db2.gz QRGWGJLRNJFMCQ-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN CNc1[nH]c(=S)[nH]c(=S)c1N 238321877 573227986 /nfs/dbraw/zinc/22/79/86/573227986.db2.gz CSHCOJGURZRMSD-UHFFFAOYSA-N 0 0 188.281 1.426 10 0 ADAERN OCc1cccc([C@H]2CC[C@H](O)C2)c1 259038101 573227990 /nfs/dbraw/zinc/22/79/90/573227990.db2.gz AASMBWIULUZSBI-RYUDHWBXSA-N 0 0 192.258 1.807 10 0 ADAERN CC(C)C[C@@H](CCCC[NH3+])C(=O)[O-] 132135107 573228001 /nfs/dbraw/zinc/22/80/01/573228001.db2.gz ZAAVEKKSBBVGLI-SECBINFHSA-N 0 0 187.283 1.862 10 0 ADAERN CS[C@H](C)CNC(=O)/C=C/C1CC1 308312701 573228022 /nfs/dbraw/zinc/22/80/22/573228022.db2.gz TWUUWANRSQYGFE-HQZHTGGTSA-N 0 0 199.319 1.820 10 0 ADAERN Nc1cc(C2CCCCC2)c(N)nn1 258599006 573228036 /nfs/dbraw/zinc/22/80/36/573228036.db2.gz OCWRGXLSKBCCTO-UHFFFAOYSA-N 0 0 192.266 1.689 10 0 ADAERN CCOc1cnn([C@@H](C)[C@H](O)CC)c1 308520770 573228048 /nfs/dbraw/zinc/22/80/48/573228048.db2.gz HNDCPFOJCNVVOH-WCBMZHEXSA-N 0 0 198.266 1.614 10 0 ADAERN C/C=C\[C@@H](O)[Si](C)(C)C 219512065 573228084 /nfs/dbraw/zinc/22/80/84/573228084.db2.gz LHOMOXMXUMKBNP-RBSILHGTSA-N 0 0 144.290 1.801 10 0 ADAERN C[NH2+][C@@H](C)c1c(C)cccc1C(=O)[O-] 238321160 573228099 /nfs/dbraw/zinc/22/80/99/573228099.db2.gz IVUOFZWDTATQQZ-QMMMGPOBSA-N 0 0 193.246 1.974 10 0 ADAERN C/C=C\C(=O)OCc1cccnc1 308319620 573228101 /nfs/dbraw/zinc/22/81/01/573228101.db2.gz XSGBUBJTKMTNJH-RQOWECAXSA-N 0 0 177.203 1.701 10 0 ADAERN CONCc1cccc(C(C)(C)O)c1 259384988 573228107 /nfs/dbraw/zinc/22/81/07/573228107.db2.gz KLCXQJXEDVRTPF-UHFFFAOYSA-N 0 0 195.262 1.565 10 0 ADAERN CS/C=C/C(=O)NC1[C@H]2CCC[C@@H]12 308312167 573229325 /nfs/dbraw/zinc/22/93/25/573229325.db2.gz SLTMOCSLSKMGAK-VEADVENPSA-N 0 0 197.303 1.778 10 0 ADAERN CCCc1nc(N)oc1C 258598826 573229328 /nfs/dbraw/zinc/22/93/28/573229328.db2.gz NZXBOXDVSLJPRM-UHFFFAOYSA-N 0 0 140.186 1.518 10 0 ADAERN CNC(=O)c1c(N)sc(C)c1C 104858694 573229335 /nfs/dbraw/zinc/22/93/35/573229335.db2.gz OLQSFGISUMNRSE-UHFFFAOYSA-N 0 0 184.264 1.307 10 0 ADAERN C[C@H]1C[C@H](NC(N)=S)CC[C@H]1C 82846714 573229338 /nfs/dbraw/zinc/22/93/38/573229338.db2.gz KXOYZEWBPFCGKM-GJMOJQLCSA-N 0 0 186.324 1.644 10 0 ADAERN CC[C@@H](C)CN(C)C(=O)NCCF 308311307 573229346 /nfs/dbraw/zinc/22/93/46/573229346.db2.gz RPLINNMWWPAZRE-MRVPVSSYSA-N 0 0 190.262 1.643 10 0 ADAERN C/C=C/COC(=O)CCCC(C)=O 308312220 573229351 /nfs/dbraw/zinc/22/93/51/573229351.db2.gz SCPBUVOFDMVSKA-ONEGZZNKSA-N 0 0 184.235 1.865 10 0 ADAERN OCCc1ccc2c(c1)[C@@H](O)CCC2 115923292 573229356 /nfs/dbraw/zinc/22/93/56/573229356.db2.gz AYFOISKFGQUPIU-LBPRGKRZSA-N 0 0 192.258 1.591 10 0 ADAERN COC(=O)c1c(C)ccc2cnoc12 238321258 573229361 /nfs/dbraw/zinc/22/93/61/573229361.db2.gz YEZHJHGWXCWCGF-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN C/C=C\C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 308519948 573229414 /nfs/dbraw/zinc/22/94/14/573229414.db2.gz HFDIAJNEENZOSP-CMIOBCHKSA-N 0 0 197.278 1.605 10 0 ADAERN CC[C@H](C)COC(=O)[C@H](C)COC 308310995 573229418 /nfs/dbraw/zinc/22/94/18/573229418.db2.gz RIFCFVNIZMMVIW-DTWKUNHWSA-N 0 0 188.267 1.858 10 0 ADAERN Cc1cccc(-c2ncn(C)c2N)c1 104846790 573229437 /nfs/dbraw/zinc/22/94/37/573229437.db2.gz LEYLMKXGSBVKCX-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C[NH+](C)C12CCC(C(=O)[O-])(CC1)C2 238321437 573229469 /nfs/dbraw/zinc/22/94/69/573229469.db2.gz NXJGXIUFCPRCTI-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)c1cnns1 308312555 573229488 /nfs/dbraw/zinc/22/94/88/573229488.db2.gz SIYIAIDBVZESHR-NTSWFWBYSA-N 0 0 198.247 1.351 10 0 ADAERN Cc1cc(N)sc1-c1nc[nH]n1 104846078 573229496 /nfs/dbraw/zinc/22/94/96/573229496.db2.gz XQWIOBRUJDMPLX-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN CC/C=C/C(=O)O[C@@H](C)COCC 308319560 573229525 /nfs/dbraw/zinc/22/95/25/573229525.db2.gz ZLFQTECUACQHHS-UCUJLANTSA-N 0 0 186.251 1.921 10 0 ADAERN OC[C@]1(c2ccc(Cl)cc2)CCO1 258597184 573229526 /nfs/dbraw/zinc/22/95/26/573229526.db2.gz SCGIOTHICYMUPE-JTQLQIEISA-N 0 0 198.649 1.948 10 0 ADAERN COC(=O)c1c(C)ccn2cncc12 238321838 573229537 /nfs/dbraw/zinc/22/95/37/573229537.db2.gz WKIARNFQERWCJI-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN C[C@@H]1CN(c2ccc(N)nc2)C[C@H]1C 86009548 573229539 /nfs/dbraw/zinc/22/95/39/573229539.db2.gz MWXCFKIVNNKLKC-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN CC(C)[C@@H](C)[C@H](C(=O)[O-])[NH+]1CCCC1 308519675 573229543 /nfs/dbraw/zinc/22/95/43/573229543.db2.gz QVPTZBMTLUVMSF-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN CCc1cnc(C(=O)OC)c(C)c1 238322015 573229547 /nfs/dbraw/zinc/22/95/47/573229547.db2.gz FKBSJBDUJRMAQQ-UHFFFAOYSA-N 0 0 179.219 1.739 10 0 ADAERN CNc1[nH][nH]c(=O)c1-c1ccccc1 238321703 573229552 /nfs/dbraw/zinc/22/95/52/573229552.db2.gz FZWANDVSIVKRRL-UHFFFAOYSA-N 0 0 189.218 1.412 10 0 ADAERN CCCC[C@@H](C)NN1CCN(C)CC1 214419482 573229588 /nfs/dbraw/zinc/22/95/88/573229588.db2.gz MJTXMIFVRWHLBZ-LLVKDONJSA-N 0 0 199.342 1.317 10 0 ADAERN C[C@H]1C[C@@H]([N@H+](C)CC(=O)[O-])CC[C@H]1C 82842286 573229607 /nfs/dbraw/zinc/22/96/07/573229607.db2.gz VMMQIRIRXYQMHU-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1C[C@]1(CO)c1ccncc1 259038229 573229629 /nfs/dbraw/zinc/22/96/29/573229629.db2.gz SKOQUWUFSWMAGB-PSASIEDQSA-N 0 0 163.220 1.352 10 0 ADAERN CNC(=O)C1=C(C)C[C@H](O)CC1(C)C 238321639 573229636 /nfs/dbraw/zinc/22/96/36/573229636.db2.gz DDBXVEKYQUMJNO-QMMMGPOBSA-N 0 0 197.278 1.230 10 0 ADAERN O=C([O-])/C(F)=C1/CC[N@@H+]2CCCC[C@H]12 123878840 573229644 /nfs/dbraw/zinc/22/96/44/573229644.db2.gz QLQSWBYBZNHNSK-KGOFQHAKSA-N 0 0 199.225 1.553 10 0 ADAERN CC(C)CO[C@@H]1C[C@@H](NO)C1(C)C 132133154 573229657 /nfs/dbraw/zinc/22/96/57/573229657.db2.gz DBLIKWYNQSFYKG-RKDXNWHRSA-N 0 0 187.283 1.805 10 0 ADAERN CC[C@H]1CCC[C@@H](NC(N)=S)C1 82848343 573229705 /nfs/dbraw/zinc/22/97/05/573229705.db2.gz VLZGGLCFWAJDEX-JGVFFNPUSA-N 0 0 186.324 1.788 10 0 ADAERN Nc1cnoc1[C@H]1CCCOC1 258597947 573229729 /nfs/dbraw/zinc/22/97/29/573229729.db2.gz UQVUJUGJOOZQRA-LURJTMIESA-N 0 0 168.196 1.151 10 0 ADAERN CCc1c(C(C)C)c(N)nn1C 258599745 573229735 /nfs/dbraw/zinc/22/97/35/573229735.db2.gz UUPKPRXTWCVDLS-UHFFFAOYSA-N 0 0 167.256 1.688 10 0 ADAERN CC[C@@]1(c2ccccc2)C(=O)N[C@H]1C 238321418 573229758 /nfs/dbraw/zinc/22/97/58/573229758.db2.gz NVHKLBNFQGIATN-JOYOIKCWSA-N 0 0 189.258 1.853 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH+]1C[C@@H](C)[C@H](C)C1 86010510 573229775 /nfs/dbraw/zinc/22/97/75/573229775.db2.gz GCDIWMPAQOXVDQ-PSVJHUJZSA-N 0 0 197.278 1.605 10 0 ADAERN Cn1cc(F)c2cc(N)ccc21 258599807 573229780 /nfs/dbraw/zinc/22/97/80/573229780.db2.gz UVORXRMXIYBBKR-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN COC(=O)c1c(C)ccc(OC)c1O 238321102 573229784 /nfs/dbraw/zinc/22/97/84/573229784.db2.gz HDXRZQRLTPVBOS-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN OCCN(CC(F)F)C1CCCC1 50106747 573229786 /nfs/dbraw/zinc/22/97/86/573229786.db2.gz DINQDYLGPVELFB-UHFFFAOYSA-N 0 0 193.237 1.488 10 0 ADAERN C[C@@H]1CCC(=S)O1 104844819 573229819 /nfs/dbraw/zinc/22/98/19/573229819.db2.gz NXRUJTFWVBKVAF-SCSAIBSYSA-N 0 0 116.185 1.513 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)O2)o1 104834838 573229828 /nfs/dbraw/zinc/22/98/28/573229828.db2.gz UHDPXWITTHXCFR-ZETCQYMHSA-N 0 0 152.149 1.576 10 0 ADAERN CO[C@H](C)CC(=O)OCC(C)(C)F 308313909 573234221 /nfs/dbraw/zinc/23/42/21/573234221.db2.gz UTUXDLWYOYBNCR-SSDOTTSWSA-N 0 0 192.230 1.703 10 0 ADAERN C[C@H](O)c1ccc(F)cc1N 258602187 573234225 /nfs/dbraw/zinc/23/42/25/573234225.db2.gz VAGYTLKGLKGOIV-YFKPBYRVSA-N 0 0 155.172 1.461 10 0 ADAERN COC(=O)/C=C\[C@H]1CCCSC1 258241963 573234233 /nfs/dbraw/zinc/23/42/33/573234233.db2.gz QDAHBGOHNSZYAG-PULIVWKDSA-N 0 0 186.276 1.859 10 0 ADAERN COC(=O)c1ccc(C)c2cn[nH]c12 115947391 573234247 /nfs/dbraw/zinc/23/42/47/573234247.db2.gz BUNIEBNNMAOSSC-UHFFFAOYSA-N 0 0 190.202 1.658 10 0 ADAERN CCOc1cccc(N[C@H](C)CO)c1 308524628 573234279 /nfs/dbraw/zinc/23/42/79/573234279.db2.gz INJOWMBQJUZSDR-SECBINFHSA-N 0 0 195.262 1.878 10 0 ADAERN CC(C)=C[C@H](O)[C@H]1CCOC1 86019811 573234285 /nfs/dbraw/zinc/23/42/85/573234285.db2.gz MNPZJDSBADUTRU-IUCAKERBSA-N 0 0 156.225 1.350 10 0 ADAERN CC(C)=C[C@@H](O)C1CC1 86019933 573234306 /nfs/dbraw/zinc/23/43/06/573234306.db2.gz BEXRIAYYIXLOBH-MRVPVSSYSA-N 0 0 126.199 1.724 10 0 ADAERN CC(C)=C[C@@H](O)c1ccncn1 86020403 573234323 /nfs/dbraw/zinc/23/43/23/573234323.db2.gz YWBWTWPVQOONLF-SECBINFHSA-N 0 0 164.208 1.476 10 0 ADAERN ONCc1coc2ccccc12 82850614 573234324 /nfs/dbraw/zinc/23/43/24/573234324.db2.gz ZBFXVLAQYGRQTQ-UHFFFAOYSA-N 0 0 163.176 1.912 10 0 ADAERN CCc1cnc(C)cc1C(N)=S 238322501 573234335 /nfs/dbraw/zinc/23/43/35/573234335.db2.gz WDNGNLFDOUNXAV-UHFFFAOYSA-N 0 0 180.276 1.587 10 0 ADAERN CNc1c(C)cc(N)cc1N 238322673 573234341 /nfs/dbraw/zinc/23/43/41/573234341.db2.gz UPTDCCYDLKVVQW-UHFFFAOYSA-N 0 0 151.213 1.201 10 0 ADAERN CC(C)(C)OC(=O)Nc1cnoc1N 257976001 573234365 /nfs/dbraw/zinc/23/43/65/573234365.db2.gz IYJPSCQDKPTURE-UHFFFAOYSA-N 0 0 199.210 1.604 10 0 ADAERN ONCc1c[nH]c2ncccc12 82850643 573234388 /nfs/dbraw/zinc/23/43/88/573234388.db2.gz LUVIDJFNHMGHOF-UHFFFAOYSA-N 0 0 163.180 1.042 10 0 ADAERN COC[C@H](O)C1CCC(C)CC1 82849286 573234402 /nfs/dbraw/zinc/23/44/02/573234402.db2.gz JYWOUDUUXIADNE-RTBKNWGFSA-N 0 0 172.268 1.820 10 0 ADAERN Oc1ccccc1COc1cnoc1 258596177 573234413 /nfs/dbraw/zinc/23/44/13/573234413.db2.gz QOJHXRSVXYHCKT-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN CCc1cnc(CN(C)C)nc1Cl 238323092 573234423 /nfs/dbraw/zinc/23/44/23/573234423.db2.gz UHZCKRVMTFGDOB-UHFFFAOYSA-N 0 0 199.685 1.754 10 0 ADAERN COC[C@H](C)[C@H](O)C(C)(C)C 69904000 573234425 /nfs/dbraw/zinc/23/44/25/573234425.db2.gz ZJAFTEZEZHUSQT-YUMQZZPRSA-N 0 0 160.257 1.676 10 0 ADAERN C=C(C(N)=O)c1ccc(Cl)cc1 116023240 573234434 /nfs/dbraw/zinc/23/44/34/573234434.db2.gz YXUJCZDZLWAHPM-UHFFFAOYSA-N 0 0 181.622 1.839 10 0 ADAERN COC[C@H](C)[C@H](C)Nc1nc(C)no1 308524513 573234442 /nfs/dbraw/zinc/23/44/42/573234442.db2.gz AESJHZSTGKTSRK-BQBZGAKWSA-N 0 0 199.254 1.461 10 0 ADAERN CC1(C(=O)N(CCO)C2CCC2)CC1 308525593 573234447 /nfs/dbraw/zinc/23/44/47/573234447.db2.gz IWPJBKMPDZQTRA-UHFFFAOYSA-N 0 0 197.278 1.160 10 0 ADAERN C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1F 238323466 573234455 /nfs/dbraw/zinc/23/44/55/573234455.db2.gz XYGZRACHRLKBNP-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN ONCc1ccc2c(c1)CCO2 82851273 573234457 /nfs/dbraw/zinc/23/44/57/573234457.db2.gz RZCGIVFIJGFMAL-UHFFFAOYSA-N 0 0 165.192 1.100 10 0 ADAERN CC(C)=C[C@H](O)[C@@H]1CCOC1 86019804 573234460 /nfs/dbraw/zinc/23/44/60/573234460.db2.gz MNPZJDSBADUTRU-BDAKNGLRSA-N 0 0 156.225 1.350 10 0 ADAERN COCc1c([C@H](C)O)ccnc1C 238322483 573234461 /nfs/dbraw/zinc/23/44/61/573234461.db2.gz SXQHCDHWQVPUOP-QMMMGPOBSA-N 0 0 181.235 1.590 10 0 ADAERN CC(C)=CC1(O)CCOCC1 86018639 573234466 /nfs/dbraw/zinc/23/44/66/573234466.db2.gz YBOWLAMJAGEBSS-UHFFFAOYSA-N 0 0 156.225 1.494 10 0 ADAERN CCOc1cccc(N[C@@H](C)CO)c1 308524632 573234500 /nfs/dbraw/zinc/23/45/00/573234500.db2.gz INJOWMBQJUZSDR-VIFPVBQESA-N 0 0 195.262 1.878 10 0 ADAERN CSc1cnc(C)nc1N 258602251 573234516 /nfs/dbraw/zinc/23/45/16/573234516.db2.gz VAIANOTVLWZSSS-UHFFFAOYSA-N 0 0 155.226 1.089 10 0 ADAERN CC[C@H](O)[C@@H]1CCCOCC1 82850012 573234518 /nfs/dbraw/zinc/23/45/18/573234518.db2.gz WXZPFKJUMMZLNZ-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CCC1([C@H](NN)C2=CCCCO2)CC1 308524858 573234542 /nfs/dbraw/zinc/23/45/42/573234542.db2.gz IPNYNKNVKDZVOE-SNVBAGLBSA-N 0 0 196.294 1.703 10 0 ADAERN COC(OC)[C@](C)(O)C=C(C)C 86021998 573234552 /nfs/dbraw/zinc/23/45/52/573234552.db2.gz BTZBIFQOELWUJM-SECBINFHSA-N 0 0 174.240 1.323 10 0 ADAERN CC(C)=CC1(O)CCC1 86022143 573234564 /nfs/dbraw/zinc/23/45/64/573234564.db2.gz KVFPPJBNUXNKGQ-UHFFFAOYSA-N 0 0 126.199 1.868 10 0 ADAERN CC(C)=C[C@]1(O)CCCOCC1 86021389 573234572 /nfs/dbraw/zinc/23/45/72/573234572.db2.gz VJRRWSQXDLNORI-JTQLQIEISA-N 0 0 170.252 1.884 10 0 ADAERN CC[C@@H]1CC(=O)NC[C@@H](C)C1 238323647 573234578 /nfs/dbraw/zinc/23/45/78/573234578.db2.gz GTFXAUWYAGSZFD-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN OCC[C@@H]1CSc2cccc(O)c21 257976129 573234584 /nfs/dbraw/zinc/23/45/84/573234584.db2.gz GVOAZDDZIZONEO-SSDOTTSWSA-N 0 0 196.271 1.964 10 0 ADAERN CCN1N[C@@H](C2CCCC2)CC1=O 257975902 573234618 /nfs/dbraw/zinc/23/46/18/573234618.db2.gz ZEBNVKANKNCLJD-SECBINFHSA-N 0 0 182.267 1.302 10 0 ADAERN CC(C)=C[C@@H](O)[C@@H]1CCOC1 86019806 573234651 /nfs/dbraw/zinc/23/46/51/573234651.db2.gz MNPZJDSBADUTRU-RKDXNWHRSA-N 0 0 156.225 1.350 10 0 ADAERN CCc1cnc(CO)c(OC)c1 238323373 573234655 /nfs/dbraw/zinc/23/46/55/573234655.db2.gz HKSFSZXZUMANEB-UHFFFAOYSA-N 0 0 167.208 1.145 10 0 ADAERN Cc1cc(O)ccc1CN(C)O 82852667 573234657 /nfs/dbraw/zinc/23/46/57/573234657.db2.gz DZIVQYGQFAEYJT-UHFFFAOYSA-N 0 0 167.208 1.522 10 0 ADAERN COC(=O)[C@@H]1CCS[C@@H]1C1CC1 259603992 573234664 /nfs/dbraw/zinc/23/46/64/573234664.db2.gz DAJCHGVVDBRAOW-HTQZYQBOSA-N 0 0 186.276 1.691 10 0 ADAERN CCc1cc(CC)nc(CO)c1 238322955 573234671 /nfs/dbraw/zinc/23/46/71/573234671.db2.gz QWBBKRUUOSRIMI-UHFFFAOYSA-N 0 0 165.236 1.699 10 0 ADAERN CO[C@@H](C)c1cccc(CNO)c1 259604069 573234706 /nfs/dbraw/zinc/23/47/06/573234706.db2.gz ZUKHHRNUINURKG-QMMMGPOBSA-N 0 0 181.235 1.873 10 0 ADAERN COC(=O)Nc1ccc(=S)[nH]c1 238323251 573234721 /nfs/dbraw/zinc/23/47/21/573234721.db2.gz DWXMBJUWWPFRJR-UHFFFAOYSA-N 0 0 184.220 1.549 10 0 ADAERN CCc1cnc(CO)c(C)c1 238323338 573234739 /nfs/dbraw/zinc/23/47/39/573234739.db2.gz MBEFPCCVMAUFRS-UHFFFAOYSA-N 0 0 151.209 1.445 10 0 ADAERN CCc1cnc(CO)cc1Cl 238323407 573234741 /nfs/dbraw/zinc/23/47/41/573234741.db2.gz YQJBVISFRUBIJP-UHFFFAOYSA-N 0 0 171.627 1.790 10 0 ADAERN CCOC(=O)C[C@@H](C)c1ncc[nH]1 259604089 573234746 /nfs/dbraw/zinc/23/47/46/573234746.db2.gz DBLSGXOQZBZTIN-SSDOTTSWSA-N 0 0 182.223 1.466 10 0 ADAERN COc1c(C)cc(NCCO)cc1C 259042340 573235531 /nfs/dbraw/zinc/23/55/31/573235531.db2.gz PQWCGZGTIRZXDC-UHFFFAOYSA-N 0 0 195.262 1.716 10 0 ADAERN CC[C@@H](C)Nc1n[nH]c(C)n1 115992865 573234985 /nfs/dbraw/zinc/23/49/85/573234985.db2.gz HFYQHRZWWSHEDZ-RXMQYKEDSA-N 0 0 154.217 1.324 10 0 ADAERN CC1(C)CC(=O)C=C(N)C1 105050179 573234995 /nfs/dbraw/zinc/23/49/95/573234995.db2.gz ORRGLDKSDLFNRT-UHFFFAOYSA-N 0 0 139.198 1.785 10 0 ADAERN CC[C@@](O)(Cc1ccccc1)[C@H](C)O 308528492 573235021 /nfs/dbraw/zinc/23/50/21/573235021.db2.gz BUFKZNFJUNNTIT-CMPLNLGQSA-N 0 0 194.274 1.751 10 0 ADAERN CC(C)(O)c1ccc2c(c1)COC2 258093996 573235026 /nfs/dbraw/zinc/23/50/26/573235026.db2.gz XCNOSEFBMBDYKA-UHFFFAOYSA-N 0 0 178.231 1.944 10 0 ADAERN CC(=O)[C@H](C)C[C@@](C)(O)C(F)(F)F 308323626 573235043 /nfs/dbraw/zinc/23/50/43/573235043.db2.gz DFTUOXWBXOXSAB-IYSWYEEDSA-N 0 0 198.184 1.915 10 0 ADAERN CNc1nc(Cl)nc(CC2CC2)n1 238322534 573235046 /nfs/dbraw/zinc/23/50/46/573235046.db2.gz JMCXJPIKGVAREI-UHFFFAOYSA-N 0 0 198.657 1.519 10 0 ADAERN COC(=O)[C@@]12CCC[C@@](O)(CC1)C2 238323488 573235052 /nfs/dbraw/zinc/23/50/52/573235052.db2.gz YXZMEOJLZPHZOB-VHSXEESVSA-N 0 0 184.235 1.245 10 0 ADAERN CC[C@H](C)OC(=O)c1cncnc1N 308526176 573235070 /nfs/dbraw/zinc/23/50/70/573235070.db2.gz QTEHYTVTTWKVMC-LURJTMIESA-N 0 0 195.222 1.014 10 0 ADAERN CCC[C@H](O)[C@@H](O)c1cccnc1C 715262736 573235091 /nfs/dbraw/zinc/23/50/91/573235091.db2.gz SGDGCRMLAUQZEW-QWRGUYRKSA-N 0 0 195.262 1.584 10 0 ADAERN CCC[C@H](O)[C@H](O)c1cccnc1C 715262737 573235104 /nfs/dbraw/zinc/23/51/04/573235104.db2.gz SGDGCRMLAUQZEW-WDEREUQCSA-N 0 0 195.262 1.584 10 0 ADAERN CCCOC(=O)N1C[C@@H]2CC[C@H](C1)O2 308526553 573235108 /nfs/dbraw/zinc/23/51/08/573235108.db2.gz IXFQKVKUEIRERD-DTORHVGOSA-N 0 0 199.250 1.396 10 0 ADAERN COC(=O)[C@H]1CCCCC[C@@H]1NC#N 238322746 573235130 /nfs/dbraw/zinc/23/51/30/573235130.db2.gz NPQAUDODFDZCCD-IUCAKERBSA-N 0 0 196.250 1.179 10 0 ADAERN COC(=O)Nc1cc(O)cc(O)c1 238322872 573235143 /nfs/dbraw/zinc/23/51/43/573235143.db2.gz JVXXGUVMIPEURL-UHFFFAOYSA-N 0 0 183.163 1.276 10 0 ADAERN CCc1cnc(CC)c(NC(C)=O)n1 238322901 573235148 /nfs/dbraw/zinc/23/51/48/573235148.db2.gz YDJFXMMJDQBLTK-UHFFFAOYSA-N 0 0 193.250 1.560 10 0 ADAERN Cc1nc(N[C@H]2CC[C@@H](C)OC2)n[nH]1 115990842 573235156 /nfs/dbraw/zinc/23/51/56/573235156.db2.gz CUOLFOPWCJZINP-SVRRBLITSA-N 0 0 196.254 1.093 10 0 ADAERN Cc1ccc(OC2COC2)cc1 221296825 573235160 /nfs/dbraw/zinc/23/51/60/573235160.db2.gz DVDSFPSLBQLMRF-UHFFFAOYSA-N 0 0 164.204 1.773 10 0 ADAERN CSCc1cncc(N)c1 257976524 573235165 /nfs/dbraw/zinc/23/51/65/573235165.db2.gz WGBIZBGKMJSFNT-UHFFFAOYSA-N 0 0 154.238 1.527 10 0 ADAERN CCC(=O)COC(=O)/C=C\C1CC1 308315234 573235173 /nfs/dbraw/zinc/23/51/73/573235173.db2.gz UZFMGMQCZPKYJP-WAYWQWQTSA-N 0 0 182.219 1.475 10 0 ADAERN C/C(=C\CC[C@H](C)CCO)CO 145490299 573235175 /nfs/dbraw/zinc/23/51/75/573235175.db2.gz FZBXHGXRUNRMTQ-UMYFRRCYSA-N 0 0 172.268 1.724 10 0 ADAERN COCC(=O)[C@H]1CC=C(C)CC1 238323659 573235178 /nfs/dbraw/zinc/23/51/78/573235178.db2.gz QZOFHRDDBKNVDF-VIFPVBQESA-N 0 0 168.236 1.948 10 0 ADAERN CN1C[C@H](O)c2ccccc21 238323034 573235202 /nfs/dbraw/zinc/23/52/02/573235202.db2.gz BWQZQQAIJBDGBR-VIFPVBQESA-N 0 0 149.193 1.170 10 0 ADAERN COC(=O)[C@@H]1CCS[C@H]1C1CC1 259604001 573235237 /nfs/dbraw/zinc/23/52/37/573235237.db2.gz DAJCHGVVDBRAOW-SFYZADRCSA-N 0 0 186.276 1.691 10 0 ADAERN COCC(=O)[C@@H]1CCC=C[C@@H]1C 238323694 573235253 /nfs/dbraw/zinc/23/52/53/573235253.db2.gz DGYRKKWQWOUKRL-DTWKUNHWSA-N 0 0 168.236 1.804 10 0 ADAERN C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccn1 238323487 573235258 /nfs/dbraw/zinc/23/52/58/573235258.db2.gz QRKCLCJXGPQYRG-LURJTMIESA-N 0 0 180.207 1.060 10 0 ADAERN COC[C@@H](O)C1CCC(C)CC1 82849285 573235268 /nfs/dbraw/zinc/23/52/68/573235268.db2.gz JYWOUDUUXIADNE-UDNWOFFPSA-N 0 0 172.268 1.820 10 0 ADAERN CCCc1n[nH]c(C)c1NC 259041537 573235302 /nfs/dbraw/zinc/23/53/02/573235302.db2.gz CGKWTURBVIJBHD-UHFFFAOYSA-N 0 0 153.229 1.712 10 0 ADAERN Cc1nc(C)c(CNO)s1 82849983 573235303 /nfs/dbraw/zinc/23/53/03/573235303.db2.gz HOPDHKMTRVLJKG-UHFFFAOYSA-N 0 0 158.226 1.239 10 0 ADAERN C/C=C\CN1CC(F)(F)C[C@H]1CO 308316255 573235304 /nfs/dbraw/zinc/23/53/04/573235304.db2.gz VPNQNMUBSUBIFC-KZUAUGPASA-N 0 0 191.221 1.264 10 0 ADAERN Nc1cnc(C2CCC2)c(N)c1 258604155 573235307 /nfs/dbraw/zinc/23/53/07/573235307.db2.gz VECSLRJGUIILPC-UHFFFAOYSA-N 0 0 163.224 1.514 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)C1=COCC1 308315644 573235315 /nfs/dbraw/zinc/23/53/15/573235315.db2.gz VHFLBZWSSPJXBR-IONNQARKSA-N 0 0 182.219 1.490 10 0 ADAERN Cn1ccc(-c2cc(N)ccc2O)c1 116014472 573235327 /nfs/dbraw/zinc/23/53/27/573235327.db2.gz JLQGOUYFMRTDQC-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN C[C@H](O)[C@@H](F)[C@H]1CCSC1 258604696 573235331 /nfs/dbraw/zinc/23/53/31/573235331.db2.gz VGYLEVWIOSCRTM-LYFYHCNISA-N 0 0 164.245 1.458 10 0 ADAERN CCc1nn([C@@H]2CC[C@@H]3C[C@@H]32)cc1N 716620211 573235338 /nfs/dbraw/zinc/23/53/38/573235338.db2.gz LYYHVDNLNUZGNY-VHSKPIJISA-N 0 0 191.278 1.999 10 0 ADAERN CCOC(=O)C[C@H](C)c1ncc[nH]1 259604092 573235341 /nfs/dbraw/zinc/23/53/41/573235341.db2.gz DBLSGXOQZBZTIN-ZETCQYMHSA-N 0 0 182.223 1.466 10 0 ADAERN OC/C=C/Cc1ccc(O)cc1 258604898 573235356 /nfs/dbraw/zinc/23/53/56/573235356.db2.gz VHLVAPTUTDKTTI-OWOJBTEDSA-N 0 0 164.204 1.483 10 0 ADAERN CCC(=O)O[C@H](C)[C@]1(C)CCCO1 308315305 573235374 /nfs/dbraw/zinc/23/53/74/573235374.db2.gz VCELAYXTLCDHMY-SCZZXKLOSA-N 0 0 186.251 1.897 10 0 ADAERN CC1(C[C@H](CO)c2ccco2)COC1 258605090 573235401 /nfs/dbraw/zinc/23/54/01/573235401.db2.gz ORGUSOOQONRXPI-SECBINFHSA-N 0 0 196.246 1.782 10 0 ADAERN CCc1cnc(Cl)cc1C(N)=O 238323789 573235427 /nfs/dbraw/zinc/23/54/27/573235427.db2.gz KWDCVHGRQDHDHB-UHFFFAOYSA-N 0 0 184.626 1.396 10 0 ADAERN C[C@@H]1c2cccc(O)c2C(=O)N1C 115946260 573235455 /nfs/dbraw/zinc/23/54/55/573235455.db2.gz QCJZSVWQMQPKNH-ZCFIWIBFSA-N 0 0 177.203 1.539 10 0 ADAERN COC(=O)[C@H]1CCCCC[C@@H](O)C1 238322721 573235475 /nfs/dbraw/zinc/23/54/75/573235475.db2.gz FMQBDFZRGHAIKL-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)Cc1cccs1 690028339 573235485 /nfs/dbraw/zinc/23/54/85/573235485.db2.gz GZCAVTCCPBZMBF-OPRDCNLKSA-N 0 0 198.287 1.686 10 0 ADAERN COC(=O)C/C=C\[C@@H]1CCCCO1 258242063 573235499 /nfs/dbraw/zinc/23/54/99/573235499.db2.gz QEDUHVFPWFGTPR-RNEXMXFGSA-N 0 0 184.235 1.675 10 0 ADAERN CCC(=O)N1CCC(C)(C)[C@H](O)C1 259042749 573235511 /nfs/dbraw/zinc/23/55/11/573235511.db2.gz GIBBPQLIMBEGMI-MRVPVSSYSA-N 0 0 185.267 1.016 10 0 ADAERN CC(C)c1nn(C)cc1CNO 82854566 573234973 /nfs/dbraw/zinc/23/49/73/573234973.db2.gz NVOUKWNPRDNOJY-UHFFFAOYSA-N 0 0 169.228 1.022 10 0 ADAERN CNc1c(F)c(N)c(F)c(F)c1F 238323431 573235634 /nfs/dbraw/zinc/23/56/34/573235634.db2.gz UBBVWPCWNZSMFD-UHFFFAOYSA-N 0 0 194.131 1.867 10 0 ADAERN C[N@@H+]1CCCC[C@H]1/C=C\C(=O)[O-] 258241820 573235635 /nfs/dbraw/zinc/23/56/35/573235635.db2.gz QBMVFABZIRONOC-SLGIHZDVSA-N 0 0 169.224 1.112 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@H]1CCCC[NH2+]1 238417747 573235647 /nfs/dbraw/zinc/23/56/47/573235647.db2.gz HBYLHDCCDMVZHF-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)C(=O)N2C 238322833 573235672 /nfs/dbraw/zinc/23/56/72/573235672.db2.gz VOBICVUXMPRZDN-VIFPVBQESA-N 0 0 177.203 1.005 10 0 ADAERN c1ncc(C[NH2+]C2C3(CC3)C23CC3)[nH]1 715263881 573235675 /nfs/dbraw/zinc/23/56/75/573235675.db2.gz YUKJFAHCBPICMP-UHFFFAOYSA-N 0 0 189.262 1.442 10 0 ADAERN CCN1N[C@@H](C(C)(C)C)CC1=O 258603982 573235676 /nfs/dbraw/zinc/23/56/76/573235676.db2.gz VDAAJNKRNPQBOL-SSDOTTSWSA-N 0 0 170.256 1.158 10 0 ADAERN COC(=O)CSc1ccc[nH]1 238323106 573235705 /nfs/dbraw/zinc/23/57/05/573235705.db2.gz NFOKJULOEKAUES-UHFFFAOYSA-N 0 0 171.221 1.280 10 0 ADAERN CN1CC[C@H](c2ccccc2)C(=O)C1 258605097 573235707 /nfs/dbraw/zinc/23/57/07/573235707.db2.gz ORKILAKFKYMCFR-LLVKDONJSA-N 0 0 189.258 1.675 10 0 ADAERN CNc1nc(Cl)nc(C2CC2)n1 238322492 573235715 /nfs/dbraw/zinc/23/57/15/573235715.db2.gz UBTJUJFMXDDTPI-UHFFFAOYSA-N 0 0 184.630 1.444 10 0 ADAERN Nc1ncnnc1C1CCCCC1 259388236 573235738 /nfs/dbraw/zinc/23/57/38/573235738.db2.gz XZBXWWISKQLUCX-UHFFFAOYSA-N 0 0 178.239 1.502 10 0 ADAERN CC(C)Oc1cccc(CNO)c1 132190435 573235739 /nfs/dbraw/zinc/23/57/39/573235739.db2.gz RHDZJJCRKZSUEQ-UHFFFAOYSA-N 0 0 181.235 1.953 10 0 ADAERN COC(=O)Nc1cccn1C(=O)OC 238323755 573235748 /nfs/dbraw/zinc/23/57/48/573235748.db2.gz FIYBEDIGUIBSBB-UHFFFAOYSA-N 0 0 198.178 1.281 10 0 ADAERN C[C@H]1CCCCCN1C(=O)C(C)(C)O 235547658 573235752 /nfs/dbraw/zinc/23/57/52/573235752.db2.gz FTIJXDPTWDWDEX-VIFPVBQESA-N 0 0 199.294 1.548 10 0 ADAERN CONCc1cccc(F)c1N(C)C 259388080 573235756 /nfs/dbraw/zinc/23/57/56/573235756.db2.gz KPJPHLNBAZASAC-UHFFFAOYSA-N 0 0 198.241 1.543 10 0 ADAERN C/C=C\CNc1c(C#N)c(C)nn1C 395108115 573235758 /nfs/dbraw/zinc/23/57/58/573235758.db2.gz ICFYVKKHSSTBHT-PLNGDYQASA-N 0 0 190.250 1.588 10 0 ADAERN CNc1n[nH]c(-c2ccco2)n1 238323724 573235762 /nfs/dbraw/zinc/23/57/62/573235762.db2.gz YWNAUXBDAYIYQY-UHFFFAOYSA-N 0 0 164.168 1.106 10 0 ADAERN CNc1nc(-c2ccccc2)c(N)o1 238323614 573235769 /nfs/dbraw/zinc/23/57/69/573235769.db2.gz AWFOVWVZFFDNQS-UHFFFAOYSA-N 0 0 189.218 1.966 10 0 ADAERN CCOC(=O)/C(C)=C\[C@@H](F)CCO 393578298 573235773 /nfs/dbraw/zinc/23/57/73/573235773.db2.gz BNLNRVPMMNURTM-UAPHAKCISA-N 0 0 190.214 1.216 10 0 ADAERN O=C([O-])CCCC[N@@H+]1CC[C@H](F)C1 689936315 573235787 /nfs/dbraw/zinc/23/57/87/573235787.db2.gz RGNXWRAGYKDDRV-QMMMGPOBSA-N 0 0 189.230 1.285 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)Cc1cccs1 690028334 573235827 /nfs/dbraw/zinc/23/58/27/573235827.db2.gz GZCAVTCCPBZMBF-LPEHRKFASA-N 0 0 198.287 1.686 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)Cc1cccs1 690028326 573235849 /nfs/dbraw/zinc/23/58/49/573235849.db2.gz GZCAVTCCPBZMBF-IVZWLZJFSA-N 0 0 198.287 1.686 10 0 ADAERN Cc1nc(N[C@H]2CC[C@H](C)OC2)n[nH]1 115990844 573235852 /nfs/dbraw/zinc/23/58/52/573235852.db2.gz CUOLFOPWCJZINP-XPUUQOCRSA-N 0 0 196.254 1.093 10 0 ADAERN COCC(=O)O[C@H]1CCCC[C@@H]1C 308315093 573235924 /nfs/dbraw/zinc/23/59/24/573235924.db2.gz WCOXXYHEMRXQOA-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)[C@H](F)C1CCCC1 258604309 573235960 /nfs/dbraw/zinc/23/59/60/573235960.db2.gz VFEIRBHSEAWEKX-SSDOTTSWSA-N 0 0 160.188 1.688 10 0 ADAERN Nc1cccc(-c2cc[nH]c2N)c1 258241926 573235961 /nfs/dbraw/zinc/23/59/61/573235961.db2.gz ZWHKARFAYSDFCS-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN ONCc1c[nH]c2ccccc12 82850438 573235980 /nfs/dbraw/zinc/23/59/80/573235980.db2.gz IWOBIAYMFXALQB-UHFFFAOYSA-N 0 0 162.192 1.647 10 0 ADAERN CNOCC[C@@H]1CCCS1 258604513 573236009 /nfs/dbraw/zinc/23/60/09/573236009.db2.gz VGJFZZHGTSRPJY-ZETCQYMHSA-N 0 0 161.270 1.423 10 0 ADAERN CC(=O)[C@H](C)C[C@](C)(O)C(F)(F)F 308323628 573236013 /nfs/dbraw/zinc/23/60/13/573236013.db2.gz DFTUOXWBXOXSAB-VDTYLAMSSA-N 0 0 198.184 1.915 10 0 ADAERN CCCN[C@]1(C(=O)OC)CCC1(C)C 308528820 573236039 /nfs/dbraw/zinc/23/60/39/573236039.db2.gz KAOYHBGCALAHGN-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN CS/C=C\C(=O)N[C@@H]1C[C@H]1C1CC1 308316031 573236040 /nfs/dbraw/zinc/23/60/40/573236040.db2.gz WVOYQIPICDIWGR-CGECUYNFSA-N 0 0 197.303 1.778 10 0 ADAERN COCC(=O)O[C@@H]1CCCC[C@H]1C 308315094 573236086 /nfs/dbraw/zinc/23/60/86/573236086.db2.gz WCOXXYHEMRXQOA-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN CONC(=O)/C=C\c1cccc(C)c1 214597544 573235609 /nfs/dbraw/zinc/23/56/09/573235609.db2.gz QXVOEQXJOFZEAR-SREVYHEPSA-N 0 0 191.230 1.686 10 0 ADAERN COC(=O)Nc1ncnc2[nH]ccc12 238324297 573238666 /nfs/dbraw/zinc/23/86/66/573238666.db2.gz UXYRQODDZARROJ-UHFFFAOYSA-N 0 0 192.178 1.136 10 0 ADAERN CC(=O)[C@@H](C)C[C@](C)(O)C(F)(F)F 308323625 573238677 /nfs/dbraw/zinc/23/86/77/573238677.db2.gz DFTUOXWBXOXSAB-FSPLSTOPSA-N 0 0 198.184 1.915 10 0 ADAERN Cc1ccc(N)c(C)c1OCCCO 50123344 573238714 /nfs/dbraw/zinc/23/87/14/573238714.db2.gz LKTCQHLNFYOVLI-UHFFFAOYSA-N 0 0 195.262 1.647 10 0 ADAERN CCc1cc(C(=O)OC)c(C)n1C 238314336 573238716 /nfs/dbraw/zinc/23/87/16/573238716.db2.gz PPJJSGOITBFYTO-UHFFFAOYSA-N 0 0 181.235 1.683 10 0 ADAERN CS/C=C/C(=O)N[C@@H]1C[C@H]1C1CC1 308316033 573238725 /nfs/dbraw/zinc/23/87/25/573238725.db2.gz WVOYQIPICDIWGR-HYNBTVFTSA-N 0 0 197.303 1.778 10 0 ADAERN CC[C@H](C)CC(=O)N[C@@H](C)[C@@H](C)O 308315253 573238732 /nfs/dbraw/zinc/23/87/32/573238732.db2.gz VABRSPWIDLSOKA-XHNCKOQMSA-N 0 0 187.283 1.308 10 0 ADAERN CC[C@H](C)CC(=O)N[C@@H](C)[C@H](C)O 308315250 573238741 /nfs/dbraw/zinc/23/87/41/573238741.db2.gz VABRSPWIDLSOKA-CIUDSAMLSA-N 0 0 187.283 1.308 10 0 ADAERN Cc1ccccc1[C@H]1CCNN1 258604012 573238756 /nfs/dbraw/zinc/23/87/56/573238756.db2.gz VDNRAGBRHKUTAW-SNVBAGLBSA-N 0 0 162.236 1.534 10 0 ADAERN C[C@H]1CC[C@@H](C)c2cc(=O)[nH]nc21 82857538 573238759 /nfs/dbraw/zinc/23/87/59/573238759.db2.gz ACCKTOLYDGPOBU-RQJHMYQMSA-N 0 0 178.235 1.771 10 0 ADAERN O=C(Nc1c[nH]cn1)c1ccccc1 116013481 573238774 /nfs/dbraw/zinc/23/87/74/573238774.db2.gz LQOUPFHJFFWCNS-UHFFFAOYSA-N 0 0 187.202 1.662 10 0 ADAERN CCOC(=O)CNc1ccc(C)nc1 308528762 573238803 /nfs/dbraw/zinc/23/88/03/573238803.db2.gz RGPQWAPPLVDMFU-UHFFFAOYSA-N 0 0 194.234 1.365 10 0 ADAERN CCCC1([C@H](NN)C2=CCCO2)CC1 308528313 573238809 /nfs/dbraw/zinc/23/88/09/573238809.db2.gz JUXNHEFUKVNZMQ-SNVBAGLBSA-N 0 0 196.294 1.703 10 0 ADAERN CCN(CC1CC1)C(=O)[C@@H]1CCO1 308323278 573238826 /nfs/dbraw/zinc/23/88/26/573238826.db2.gz CWRAGTCRJNGIMG-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN C[C@@H]1CC[C@]2(NC(=O)NC2=O)[C@H](C)C1 82859796 573238867 /nfs/dbraw/zinc/23/88/67/573238867.db2.gz YKGLHYXMXWPBBH-XSSZXYGBSA-N 0 0 196.250 1.021 10 0 ADAERN CNc1c(N)ccc(OC)c1OC 238324293 573238873 /nfs/dbraw/zinc/23/88/73/573238873.db2.gz HBPHOAYUEYCOJO-UHFFFAOYSA-N 0 0 182.223 1.328 10 0 ADAERN COC(C[N@@H+]1CCC12CCC2)OC 308315695 573238876 /nfs/dbraw/zinc/23/88/76/573238876.db2.gz WNUVVSAVBWLZSI-UHFFFAOYSA-N 0 0 185.267 1.234 10 0 ADAERN CNc1nc2c(c(NC)n1)CSC2 238324045 573238894 /nfs/dbraw/zinc/23/88/94/573238894.db2.gz CJFYRXGBBRYHTB-UHFFFAOYSA-N 0 0 196.279 1.307 10 0 ADAERN Cc1ccc(CNO)c(F)c1 258088257 573238900 /nfs/dbraw/zinc/23/89/00/573238900.db2.gz WLHYQPKEEQMSNQ-UHFFFAOYSA-N 0 0 155.172 1.613 10 0 ADAERN CCCC/C(C)=C1/NC(=S)NC1=O 105008462 573238910 /nfs/dbraw/zinc/23/89/10/573238910.db2.gz JGQOVOXBPJASEM-VOTSOKGWSA-N 0 0 198.291 1.455 10 0 ADAERN C/C=C/C(=O)OCc1ccnc(N)c1 308527021 573238912 /nfs/dbraw/zinc/23/89/12/573238912.db2.gz QUGGIZPXKHRERE-NSCUHMNNSA-N 0 0 192.218 1.283 10 0 ADAERN Cc1nocc1-c1nnc(C(C)C)[nH]1 402502045 573238913 /nfs/dbraw/zinc/23/89/13/573238913.db2.gz AFKMABROZPHOEM-UHFFFAOYSA-N 0 0 192.222 1.892 10 0 ADAERN CC(=O)[C@@H](C)C[C@@](C)(O)C(F)(F)F 308323623 573238917 /nfs/dbraw/zinc/23/89/17/573238917.db2.gz DFTUOXWBXOXSAB-CAHLUQPWSA-N 0 0 198.184 1.915 10 0 ADAERN CC1(C)[C@@H](O)C=C[C@]2(C)OC(=O)C[C@H]12 86032468 573238930 /nfs/dbraw/zinc/23/89/30/573238930.db2.gz QMPUENMENUQYLB-FYBVGQRMSA-N 0 0 196.246 1.265 10 0 ADAERN COCCCn1nccc1C(C)(C)O 308526623 573238944 /nfs/dbraw/zinc/23/89/44/573238944.db2.gz JAGGMXVSAKBCKR-UHFFFAOYSA-N 0 0 198.266 1.147 10 0 ADAERN COCC(=O)c1c(C)[nH]c(C)c1C 238324352 573238945 /nfs/dbraw/zinc/23/89/45/573238945.db2.gz JUKYONVSURTKGP-UHFFFAOYSA-N 0 0 181.235 1.769 10 0 ADAERN CC1(c2cnc(N)s2)CC1 259043313 573238949 /nfs/dbraw/zinc/23/89/49/573238949.db2.gz AIYQRNQLQGSGPT-UHFFFAOYSA-N 0 0 154.238 1.777 10 0 ADAERN CCc1cc(C(=O)OC)c(C)[nH]1 238314276 573238955 /nfs/dbraw/zinc/23/89/55/573238955.db2.gz CSCIAHMVQFQCLG-UHFFFAOYSA-N 0 0 167.208 1.672 10 0 ADAERN Cc1nc(N[C@@H]2CC[C@H](C)OC2)n[nH]1 115990847 573238963 /nfs/dbraw/zinc/23/89/63/573238963.db2.gz CUOLFOPWCJZINP-POYBYMJQSA-N 0 0 196.254 1.093 10 0 ADAERN C[C@H]1C[C@@H](C)Cc2cc(=O)[nH]nc21 82857537 573238978 /nfs/dbraw/zinc/23/89/78/573238978.db2.gz VUVUFEJRQLURGM-RQJHMYQMSA-N 0 0 178.235 1.456 10 0 ADAERN CCc1cnc(N)c(C(=O)OC)c1 238323988 573238998 /nfs/dbraw/zinc/23/89/98/573238998.db2.gz ITJCLIZLSHLNJM-UHFFFAOYSA-N 0 0 180.207 1.013 10 0 ADAERN NC(=O)c1ccccc1-c1c[nH]cn1 116013476 573239029 /nfs/dbraw/zinc/23/90/29/573239029.db2.gz QZAZOHDFQWIITJ-UHFFFAOYSA-N 0 0 187.202 1.176 10 0 ADAERN CCOC(=O)Cc1cocc1F 259604111 573239038 /nfs/dbraw/zinc/23/90/38/573239038.db2.gz DBUIVFZUZQIYSI-UHFFFAOYSA-N 0 0 172.155 1.524 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]2(CC(=O)NC2=O)C1 82857494 573239074 /nfs/dbraw/zinc/23/90/74/573239074.db2.gz GMPSACHYCJGEBL-SOCHQFKDSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1Nc1nncs1 716613969 573239092 /nfs/dbraw/zinc/23/90/92/573239092.db2.gz OSWGBZIDEJGNME-CWKFCGSDSA-N 0 0 195.291 1.995 10 0 ADAERN C[C@@H]1CNc2c(N)cccc2N1 259389738 573239182 /nfs/dbraw/zinc/23/91/82/573239182.db2.gz WQDOLKTUGNVPJL-ZCFIWIBFSA-N 0 0 163.224 1.495 10 0 ADAERN C[C@H]1Cc2cc(N)nnc2[C@H](C)C1 82858585 573239183 /nfs/dbraw/zinc/23/91/83/573239183.db2.gz GZRJIPIVDLSJEI-RNFRBKRXSA-N 0 0 177.251 1.745 10 0 ADAERN CN1C(=O)[C@H](O)c2cc(Cl)ccc21 238323937 573239226 /nfs/dbraw/zinc/23/92/26/573239226.db2.gz SSTKYSBFCYEZAX-MRVPVSSYSA-N 0 0 197.621 1.350 10 0 ADAERN CC1(C)O[C@@H]2CC(/C=C\CO)C[C@H]2O1 308527445 573239230 /nfs/dbraw/zinc/23/92/30/573239230.db2.gz BJDCYELJXHERTA-HWKXXFMVSA-N 0 0 198.262 1.465 10 0 ADAERN CC[C@]1(C)C[C@@H]1C(=O)OCCOC 308315299 573238655 /nfs/dbraw/zinc/23/86/55/573238655.db2.gz VCDJXULMAWIRPC-PSASIEDQSA-N 0 0 186.251 1.612 10 0 ADAERN Cl/C=C/CNN1CCCCC1 236014819 573240467 /nfs/dbraw/zinc/24/04/67/573240467.db2.gz HBUVHOVWMDYSRV-SNAWJCMRSA-N 0 0 174.675 1.729 10 0 ADAERN C[C@H]1C[C@@H](C)Cc2cnc(N)nc21 82859565 573240469 /nfs/dbraw/zinc/24/04/69/573240469.db2.gz GRMDTRUYJWBMDE-RQJHMYQMSA-N 0 0 177.251 1.745 10 0 ADAERN CO[C@H]1COc2c(O)cccc2C1 257976957 573240483 /nfs/dbraw/zinc/24/04/83/573240483.db2.gz ZFAYGASPVZJKCF-MRVPVSSYSA-N 0 0 180.203 1.342 10 0 ADAERN CCc1cc(C(=O)OC)cc(F)c1N 238314769 573240484 /nfs/dbraw/zinc/24/04/84/573240484.db2.gz VDGWTJXAXYDYHA-UHFFFAOYSA-N 0 0 197.209 1.757 10 0 ADAERN COCn1ccc(C(F)(F)F)n1 123890149 573240488 /nfs/dbraw/zinc/24/04/88/573240488.db2.gz PGIOFJSEXLMUTN-UHFFFAOYSA-N 0 0 180.129 1.506 10 0 ADAERN CCOC(=O)/C=C\Cn1cc(C)cn1 308324215 573240539 /nfs/dbraw/zinc/24/05/39/573240539.db2.gz WNKDNDZNZFHDTK-PLNGDYQASA-N 0 0 194.234 1.311 10 0 ADAERN CCCC[C@@H](C)N1C(=O)C=C(C)C1=O 50889255 573240540 /nfs/dbraw/zinc/24/05/40/573240540.db2.gz XNJMLJONMIOGDP-SECBINFHSA-N 0 0 195.262 1.880 10 0 ADAERN C[C@H](O)c1ccc2c(c1O)OCO2 257977073 573240541 /nfs/dbraw/zinc/24/05/41/573240541.db2.gz DIPZTIZNQOKJHV-YFKPBYRVSA-N 0 0 182.175 1.174 10 0 ADAERN CO[C@@H]1CCc2cccc(N)c21 258604523 573240557 /nfs/dbraw/zinc/24/05/57/573240557.db2.gz VGKRQCLDQHYBQN-SECBINFHSA-N 0 0 163.220 1.903 10 0 ADAERN C[C@]1(c2ccccc2O)C[C@@H]1CO 257976962 573240558 /nfs/dbraw/zinc/24/05/58/573240558.db2.gz ZFCOAXAIDATBJS-KCJUWKMLSA-N 0 0 178.231 1.662 10 0 ADAERN C[NH2+][C@@H](C(C)C)N1CCCCC1 238314380 573240568 /nfs/dbraw/zinc/24/05/68/573240568.db2.gz RIACAIHGYAXKPV-SNVBAGLBSA-N 0 0 170.300 1.674 10 0 ADAERN C[C@H]1C[C@@H](C)Cc2cc(N)nnc21 82858587 573240613 /nfs/dbraw/zinc/24/06/13/573240613.db2.gz GZRJIPIVDLSJEI-RQJHMYQMSA-N 0 0 177.251 1.745 10 0 ADAERN CN1COc2cc3c(cc2C1)CCC3 238314252 573240649 /nfs/dbraw/zinc/24/06/49/573240649.db2.gz PUSXJQHRJSKZJO-UHFFFAOYSA-N 0 0 189.258 1.957 10 0 ADAERN CNc1nc2n[nH]cc2c(=S)[nH]1 238324348 573240653 /nfs/dbraw/zinc/24/06/53/573240653.db2.gz PUPSZWCQIYWNFF-UHFFFAOYSA-N 0 0 181.224 1.057 10 0 ADAERN CCCC[C@@H](C)NC(=O)CC(C)=O 50889251 573240678 /nfs/dbraw/zinc/24/06/78/573240678.db2.gz MZRUSMGEYZSWSY-MRVPVSSYSA-N 0 0 185.267 1.660 10 0 ADAERN CCCC(CO)(CO)Cc1ccoc1 132196475 573240694 /nfs/dbraw/zinc/24/06/94/573240694.db2.gz PZZUJRNUBMYQNX-UHFFFAOYSA-N 0 0 198.262 1.593 10 0 ADAERN CCc1cc2c(=O)[nH]ccc2[nH]1 238314301 573240714 /nfs/dbraw/zinc/24/07/14/573240714.db2.gz GAKAOYRHZYXNTQ-UHFFFAOYSA-N 0 0 162.192 1.419 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]1(C[NH3+])CC(=O)[O-] 235553026 573240743 /nfs/dbraw/zinc/24/07/43/573240743.db2.gz NRINYMPKZVIZTI-GZMMTYOYSA-N 0 0 199.294 1.862 10 0 ADAERN CN(C(=O)CCCO)C(C)(C)C 258604350 573240783 /nfs/dbraw/zinc/24/07/83/573240783.db2.gz AHCDWMMYHYWFCK-UHFFFAOYSA-N 0 0 173.256 1.016 10 0 ADAERN CNC=C(C(=O)OC)c1ccccc1 238314677 573240795 /nfs/dbraw/zinc/24/07/95/573240795.db2.gz RNHWAQPQARPSLA-CSKARUKUSA-N 0 0 191.230 1.420 10 0 ADAERN C[C@H]1CC[C@@H](C)c2n[nH]c(=O)cc21 82857541 573240796 /nfs/dbraw/zinc/24/07/96/573240796.db2.gz ACCKTOLYDGPOBU-NKWVEPMBSA-N 0 0 178.235 1.771 10 0 ADAERN C[C@H]1CC[C@H](C)c2n[nH]c(=O)cc21 82857539 573240801 /nfs/dbraw/zinc/24/08/01/573240801.db2.gz ACCKTOLYDGPOBU-BQBZGAKWSA-N 0 0 178.235 1.771 10 0 ADAERN C[C@]1(c2ccccc2O)C[C@H]1CO 257976964 573240808 /nfs/dbraw/zinc/24/08/08/573240808.db2.gz ZFCOAXAIDATBJS-KWQFWETISA-N 0 0 178.231 1.662 10 0 ADAERN CCCC[NH2+]C[C@@H](C)CC(=O)[O-] 258605342 573240809 /nfs/dbraw/zinc/24/08/09/573240809.db2.gz HZBUAJLUNRYOSZ-QMMMGPOBSA-N 0 0 173.256 1.487 10 0 ADAERN CC[C@@H]1CC(=O)[C@@H]2O[C@@H]2C1 238315019 573240839 /nfs/dbraw/zinc/24/08/39/573240839.db2.gz UCNGESITINJBSY-NJUXHZRNSA-N 0 0 140.182 1.143 10 0 ADAERN C[C@@H]1Cc2cc(=O)[nH]nc2[C@H](C)C1 82857534 573240842 /nfs/dbraw/zinc/24/08/42/573240842.db2.gz VUVUFEJRQLURGM-NKWVEPMBSA-N 0 0 178.235 1.456 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12CC(=O)NC2=O 82857492 573240868 /nfs/dbraw/zinc/24/08/68/573240868.db2.gz GMPSACHYCJGEBL-VHSKPIJISA-N 0 0 195.262 1.475 10 0 ADAERN Cc1cc(O)c(C(=O)N(C)C)cc1O 238314493 573240881 /nfs/dbraw/zinc/24/08/81/573240881.db2.gz LEBABSKEIGPSMO-UHFFFAOYSA-N 0 0 195.218 1.108 10 0 ADAERN CC[C@H]1C[C@H](CC)C(=O)CC1=O 238324037 573240896 /nfs/dbraw/zinc/24/08/96/573240896.db2.gz RQSHLEAUNOMULM-YUMQZZPRSA-N 0 0 168.236 1.971 10 0 ADAERN CNc1c(F)cncc1Cl 238323906 573240905 /nfs/dbraw/zinc/24/09/05/573240905.db2.gz LPJNFVBOCKUNJI-UHFFFAOYSA-N 0 0 160.579 1.916 10 0 ADAERN C[C@H](ON)c1ccccc1F 259390311 573240927 /nfs/dbraw/zinc/24/09/27/573240927.db2.gz HVDBETXEGNTSAN-LURJTMIESA-N 0 0 155.172 1.777 10 0 ADAERN C/C=C\COc1ncnc(NC)c1C 308324768 573240935 /nfs/dbraw/zinc/24/09/35/573240935.db2.gz YWNRPMCONANWTQ-PLNGDYQASA-N 0 0 193.250 1.782 10 0 ADAERN C[C@H]1Cc2ccc(C3(O)CC3)cc2O1 257977092 573240939 /nfs/dbraw/zinc/24/09/39/573240939.db2.gz DJDNVTCWRRPZLH-QMMMGPOBSA-N 0 0 190.242 1.991 10 0 ADAERN C[C@H]1CCc2cc(=O)[nH]nc2[C@@H]1C 82857543 573240940 /nfs/dbraw/zinc/24/09/40/573240940.db2.gz MZOXSIDTWFCIKM-NKWVEPMBSA-N 0 0 178.235 1.456 10 0 ADAERN Cc1noc(N[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)n1 716625410 573240942 /nfs/dbraw/zinc/24/09/42/573240942.db2.gz PEXNGRKTXLRMGB-URJBTRRKSA-N 0 0 193.250 1.834 10 0 ADAERN C[C@@H]1CCC[C@]2(NC(=O)NC2=O)[C@@H]1C 82859800 573240951 /nfs/dbraw/zinc/24/09/51/573240951.db2.gz MMPYEXMHXSRCGB-XSSZXYGBSA-N 0 0 196.250 1.021 10 0 ADAERN COCc1cc(F)c(F)c(CO)c1 257977014 573240961 /nfs/dbraw/zinc/24/09/61/573240961.db2.gz DIFNEYMQXLBMEJ-UHFFFAOYSA-N 0 0 188.173 1.604 10 0 ADAERN C[C@H]1CCc2cc(N)nnc2[C@H]1C 82858595 573240968 /nfs/dbraw/zinc/24/09/68/573240968.db2.gz IGDVJZBIPIYPOD-BQBZGAKWSA-N 0 0 177.251 1.745 10 0 ADAERN CO[C@@H](C)Cc1noc(NC(C)C)n1 129157883 573240993 /nfs/dbraw/zinc/24/09/93/573240993.db2.gz DZBXOZOZPLOWBH-ZETCQYMHSA-N 0 0 199.254 1.467 10 0 ADAERN C[C@@H](ON)c1ccccc1F 259390314 573241026 /nfs/dbraw/zinc/24/10/26/573241026.db2.gz HVDBETXEGNTSAN-ZCFIWIBFSA-N 0 0 155.172 1.777 10 0 ADAERN Nc1n[nH]cc1-c1cc(F)ccc1O 257977051 573241033 /nfs/dbraw/zinc/24/10/33/573241033.db2.gz DILPHKDORJXJFB-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN CC[C@](O)(Cc1ccccc1)[C@@H](C)O 308529143 573241042 /nfs/dbraw/zinc/24/10/42/573241042.db2.gz BUFKZNFJUNNTIT-PWSUYJOCSA-N 0 0 194.274 1.751 10 0 ADAERN ONCc1ccc(C2(O)CC2)cc1 259390837 573241053 /nfs/dbraw/zinc/24/10/53/573241053.db2.gz IOUJGNOMCKPFGJ-UHFFFAOYSA-N 0 0 179.219 1.147 10 0 ADAERN C[C@@H]1Oc2cccc(O)c2NC1=O 259390288 573241074 /nfs/dbraw/zinc/24/10/74/573241074.db2.gz WRNYTQDXOVRDLC-YFKPBYRVSA-N 0 0 179.175 1.112 10 0 ADAERN CC(=O)O[C@@H](C)C[C@H](O)C(C)C 214206118 573241076 /nfs/dbraw/zinc/24/10/76/573241076.db2.gz HOAQMJASLLWQDF-CBAPKCEASA-N 0 0 174.240 1.345 10 0 ADAERN CN1CCC(=O)Nc2c(N)cccc21 259390644 573241380 /nfs/dbraw/zinc/24/13/80/573241380.db2.gz WSSXPBUZJGKEAP-UHFFFAOYSA-N 0 0 191.234 1.047 10 0 ADAERN C[C@@H]1CC[C@]2(CC(=O)NC2=O)[C@H](C)C1 82857498 573241400 /nfs/dbraw/zinc/24/14/00/573241400.db2.gz GELLLFQHFJIQBB-XLDPMVHQSA-N 0 0 195.262 1.475 10 0 ADAERN O=C1CC[C@@H]([C@@H]2CCSC2)N1 257977115 573241405 /nfs/dbraw/zinc/24/14/05/573241405.db2.gz ZIEANTSEZNDOIT-RQJHMYQMSA-N 0 0 171.265 1.018 10 0 ADAERN CC(C)Oc1ccc(NCO)cc1 258607216 573241411 /nfs/dbraw/zinc/24/14/11/573241411.db2.gz IBGFBGHOXFFODB-UHFFFAOYSA-N 0 0 181.235 1.836 10 0 ADAERN COCC[C@H](C)n1nncc1C(C)=O 308521783 573241414 /nfs/dbraw/zinc/24/14/14/573241414.db2.gz YGMDWBJRTVAFQU-ZETCQYMHSA-N 0 0 197.238 1.078 10 0 ADAERN Cc1cc(NC(=O)C=O)ccc1F 258606163 573241417 /nfs/dbraw/zinc/24/14/17/573241417.db2.gz AAKDMSKNUXASEU-UHFFFAOYSA-N 0 0 181.166 1.272 10 0 ADAERN CC(=O)CN(Cc1ccco1)C1CC1 50154901 573241442 /nfs/dbraw/zinc/24/14/42/573241442.db2.gz XAZQQRSMELYECG-UHFFFAOYSA-N 0 0 193.246 1.833 10 0 ADAERN COC(=O)NSc1ccc(N)cc1 238315231 573241469 /nfs/dbraw/zinc/24/14/69/573241469.db2.gz YGLYVWIKPPNRDF-UHFFFAOYSA-N 0 0 198.247 1.632 10 0 ADAERN C[C@@H]1Nc2ccc(N)cc2SC1=O 259389244 573241470 /nfs/dbraw/zinc/24/14/70/573241470.db2.gz WPYDIMPVAVTVAP-YFKPBYRVSA-N 0 0 194.259 1.702 10 0 ADAERN C[C@]1([C@@H]2CCCS2)CNC(=O)C1 257976980 573241483 /nfs/dbraw/zinc/24/14/83/573241483.db2.gz ZFFZQGJUMMONID-IONNQARKSA-N 0 0 185.292 1.408 10 0 ADAERN COC(C)(C)[C@H](O)c1c[nH+]ccc1N 86072049 573241491 /nfs/dbraw/zinc/24/14/91/573241491.db2.gz YAZMRKKVLREOCR-SECBINFHSA-N 0 0 196.250 1.122 10 0 ADAERN C[C@H]1CCc2cnc(N)nc2[C@H]1C 82859557 573241494 /nfs/dbraw/zinc/24/14/94/573241494.db2.gz MRIMANNYFJFYBU-BQBZGAKWSA-N 0 0 177.251 1.745 10 0 ADAERN COC(C)(C)[C@@H](O)c1c[nH+]ccc1N 86072053 573241540 /nfs/dbraw/zinc/24/15/40/573241540.db2.gz YAZMRKKVLREOCR-VIFPVBQESA-N 0 0 196.250 1.122 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)[O-] 82858228 573241545 /nfs/dbraw/zinc/24/15/45/573241545.db2.gz CWBLERJZDHALFF-HRDYMLBCSA-N 0 0 185.267 1.485 10 0 ADAERN CCCc1nc2n(n1)[C@H](O)CCC2 258606568 573241549 /nfs/dbraw/zinc/24/15/49/573241549.db2.gz VRLLMOIGMHACTP-SECBINFHSA-N 0 0 181.239 1.058 10 0 ADAERN C[C@H](O)CCNc1ccc(N)c(N)c1 235554403 573241560 /nfs/dbraw/zinc/24/15/60/573241560.db2.gz MTYCRPKUXJEPJP-ZETCQYMHSA-N 0 0 195.266 1.034 10 0 ADAERN CCCNc1nc(C[C@H](C)OC)no1 129156997 573241562 /nfs/dbraw/zinc/24/15/62/573241562.db2.gz BERQRQFDWMUOLR-ZETCQYMHSA-N 0 0 199.254 1.469 10 0 ADAERN Cc1c(Cl)ncnc1C(=O)N(C)C 238316155 573241592 /nfs/dbraw/zinc/24/15/92/573241592.db2.gz KLHXGLVBMXARKJ-UHFFFAOYSA-N 0 0 199.641 1.140 10 0 ADAERN C[C@@H]1CCC[C@@]2(NC(=O)NC2=O)[C@@H]1C 82859798 573241600 /nfs/dbraw/zinc/24/16/00/573241600.db2.gz MMPYEXMHXSRCGB-BRDIYROLSA-N 0 0 196.250 1.021 10 0 ADAERN CCC[C@H](O)C(C)(C)OC 86072085 573242009 /nfs/dbraw/zinc/24/20/09/573242009.db2.gz FKHKYMZMHGXYNC-ZETCQYMHSA-N 0 0 146.230 1.572 10 0 ADAERN CC(=O)Cc1ccc(F)c(CO)c1 258103565 573242010 /nfs/dbraw/zinc/24/20/10/573242010.db2.gz OXFRXKOITCYREB-UHFFFAOYSA-N 0 0 182.194 1.450 10 0 ADAERN C[C@H]1CCc2cc(=O)[nH]nc2[C@H]1C 82857545 573242013 /nfs/dbraw/zinc/24/20/13/573242013.db2.gz MZOXSIDTWFCIKM-BQBZGAKWSA-N 0 0 178.235 1.456 10 0 ADAERN OC[C@@H](F)Cc1ccccc1O 258607294 573242017 /nfs/dbraw/zinc/24/20/17/573242017.db2.gz VLUPQNVOGHUWDU-QMMMGPOBSA-N 0 0 170.183 1.265 10 0 ADAERN C[C@@H]1c2n[nH]c(=O)cc2CC[C@H]1C 82857544 573242033 /nfs/dbraw/zinc/24/20/33/573242033.db2.gz MZOXSIDTWFCIKM-RQJHMYQMSA-N 0 0 178.235 1.456 10 0 ADAERN C[C@@H](O)C(F)(F)[C@@H]1CCOC1 258607433 573242041 /nfs/dbraw/zinc/24/20/41/573242041.db2.gz VNTVXYKUTHOLAB-PHDIDXHHSA-N 0 0 166.167 1.039 10 0 ADAERN CC[C@H]1Cc2ccc(CO)n2C1 238315456 573242045 /nfs/dbraw/zinc/24/20/45/573242045.db2.gz WTESLLDISRAHAY-QMMMGPOBSA-N 0 0 165.236 1.563 10 0 ADAERN C1CCC([C@H]2CNOC2)CC1 258607334 573242070 /nfs/dbraw/zinc/24/20/70/573242070.db2.gz VMTFDZKDOFZQKV-VIFPVBQESA-N 0 0 155.241 1.718 10 0 ADAERN CCc1cnc(CC(C)=O)s1 116069769 573242082 /nfs/dbraw/zinc/24/20/82/573242082.db2.gz IWHHVWWHIQBGCD-UHFFFAOYSA-N 0 0 169.249 1.837 10 0 ADAERN CCCOCC[C@@H](O)c1cn(C)cn1 308529128 573242110 /nfs/dbraw/zinc/24/21/10/573242110.db2.gz JRSUUSSFIOCCFF-SNVBAGLBSA-N 0 0 198.266 1.270 10 0 ADAERN CC1(C)C[C@]1(CO)c1cccnc1 259045842 573242127 /nfs/dbraw/zinc/24/21/27/573242127.db2.gz ULJLNPFXTNYADD-NSHDSACASA-N 0 0 177.247 1.742 10 0 ADAERN CNc1ccc([C@@H]2CNC(=O)C2)cc1 238315956 573242139 /nfs/dbraw/zinc/24/21/39/573242139.db2.gz HTPPQXQUYRGUOR-VIFPVBQESA-N 0 0 190.246 1.332 10 0 ADAERN CC(C)=C(F)C(=O)NCC[C@H](C)O 308320996 573242152 /nfs/dbraw/zinc/24/21/52/573242152.db2.gz BDRJXRGATYFWCX-ZETCQYMHSA-N 0 0 189.230 1.137 10 0 ADAERN CCCC[S@@](=O)CCC 116126282 573242162 /nfs/dbraw/zinc/24/21/62/573242162.db2.gz UXEUPWBGAVVPSF-SECBINFHSA-N 0 0 148.271 1.945 10 0 ADAERN CCO/C=C/C[C@@H](C)O 238315135 573242181 /nfs/dbraw/zinc/24/21/81/573242181.db2.gz XLSIVFVTZYFXCL-PTYLAXBQSA-N 0 0 130.187 1.308 10 0 ADAERN CNc1ccc([C@H]2CCC(=O)N2)cc1 238316139 573242197 /nfs/dbraw/zinc/24/21/97/573242197.db2.gz LSPUBLLTIPJMEI-SNVBAGLBSA-N 0 0 190.246 1.679 10 0 ADAERN CCC[C@H](O)CCc1cn(CC)cn1 308522114 573242201 /nfs/dbraw/zinc/24/22/01/573242201.db2.gz IDYDIRVAPADFDO-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN CCO[C@@H]1C[C@@H]1c1nnc(N)s1 689937251 573242202 /nfs/dbraw/zinc/24/22/02/573242202.db2.gz DEDVLVNSJVHSNW-CRCLSJGQSA-N 0 0 185.252 1.013 10 0 ADAERN CNc1ccc([C@@H]2CCC(=O)N2)cc1 238315666 573242211 /nfs/dbraw/zinc/24/22/11/573242211.db2.gz LSPUBLLTIPJMEI-JTQLQIEISA-N 0 0 190.246 1.679 10 0 ADAERN CC1CCC(n2cnc(CN)n2)CC1 82856473 573242212 /nfs/dbraw/zinc/24/22/12/573242212.db2.gz ZPJNGRKOVIPIDP-UHFFFAOYSA-N 0 0 194.282 1.488 10 0 ADAERN C[NH+]1CCC([C@@]2(C)C[C@H]2C(=O)[O-])CC1 259043786 573242214 /nfs/dbraw/zinc/24/22/14/573242214.db2.gz AMXOABVTMUREDN-GXSJLCMTSA-N 0 0 197.278 1.439 10 0 ADAERN Cc1cccc(N(C)C)c(=O)c1 238315646 573242216 /nfs/dbraw/zinc/24/22/16/573242216.db2.gz XKVKOCNKKMJNDX-UHFFFAOYSA-N 0 0 163.220 1.421 10 0 ADAERN COC(=O)[C@@H](F)CC1CC1 258607449 573242218 /nfs/dbraw/zinc/24/22/18/573242218.db2.gz VOFPBVKPQPDYMB-LURJTMIESA-N 0 0 146.161 1.298 10 0 ADAERN OCc1cc([C@H]2CCCCO2)n[nH]1 259390627 573242223 /nfs/dbraw/zinc/24/22/23/573242223.db2.gz WSQSZDYPOFODJG-SECBINFHSA-N 0 0 182.223 1.144 10 0 ADAERN CCc1ccc(NC(CO)CO)cc1 259045234 573242251 /nfs/dbraw/zinc/24/22/51/573242251.db2.gz VEUHWCGVTGHLTC-UHFFFAOYSA-N 0 0 195.262 1.014 10 0 ADAERN CCOCCC(=O)O[C@@]1(C)C[C@@H]1C 308319899 573242254 /nfs/dbraw/zinc/24/22/54/573242254.db2.gz ZRYJGQFYXLGONU-WPRPVWTQSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1cc(F)ccc1[C@H](O)C(C)(C)O 235744419 573242262 /nfs/dbraw/zinc/24/22/62/573242262.db2.gz KQPBEAQYPMIMJG-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN CCO[C@@H]1C[C@H]1c1nnc(N)s1 689937255 573242575 /nfs/dbraw/zinc/24/25/75/573242575.db2.gz DEDVLVNSJVHSNW-RFZPGFLSSA-N 0 0 185.252 1.013 10 0 ADAERN COC(C)(C)C(=O)c1cnccn1 86071413 573242587 /nfs/dbraw/zinc/24/25/87/573242587.db2.gz VBQCSQJKWQPNCP-UHFFFAOYSA-N 0 0 180.207 1.084 10 0 ADAERN CN[C@H](OC)c1cc(F)ccc1OC 259046992 573242596 /nfs/dbraw/zinc/24/25/96/573242596.db2.gz AAJVGJKAFBGPCP-SNVBAGLBSA-N 0 0 199.225 1.699 10 0 ADAERN CC[C@H](O)[C@](C)(O)c1cccnc1 238315897 573243174 /nfs/dbraw/zinc/24/31/74/573243174.db2.gz YSUHRWPURGMBSH-VHSXEESVSA-N 0 0 181.235 1.060 10 0 ADAERN CSc1n[nH]c(=O)n1C 220171655 573242638 /nfs/dbraw/zinc/24/26/38/573242638.db2.gz FWUZXMIPCMYMBI-SCSAIBSYSA-N 0 0 145.187 1.151 10 0 ADAERN C[C@H]1C[C@@H]2CC[C@H]1[C@H]2O 105232509 573242668 /nfs/dbraw/zinc/24/26/68/573242668.db2.gz MPSXNJQNJVMCQC-HSNKUXOKSA-N 0 0 126.199 1.413 10 0 ADAERN O=C1C2CCCC2=NN1C1CCC1 257977027 573242697 /nfs/dbraw/zinc/24/26/97/573242697.db2.gz ZFWJVSQDSGSABU-UHFFFAOYSA-N 0 0 178.235 1.802 10 0 ADAERN Cc1noc(NCC2(C3CC3)CC2)n1 236033198 573242706 /nfs/dbraw/zinc/24/27/06/573242706.db2.gz VKTJDFKQKNFJBY-UHFFFAOYSA-N 0 0 193.250 1.980 10 0 ADAERN CC[C@@H](C(=O)NC(N)=O)C1=CCCC1 238316279 573242721 /nfs/dbraw/zinc/24/27/21/573242721.db2.gz HAFFKNGBZYOZFP-MRVPVSSYSA-N 0 0 196.250 1.318 10 0 ADAERN Cc1nn(C)c(C2CCC2)c1N 259391213 573242726 /nfs/dbraw/zinc/24/27/26/573242726.db2.gz YCCVWNDLJFKNJQ-UHFFFAOYSA-N 0 0 165.240 1.578 10 0 ADAERN C[NH+]1CCC([C@]2(C)C[C@@H]2C(=O)[O-])CC1 259043791 573242743 /nfs/dbraw/zinc/24/27/43/573242743.db2.gz AMXOABVTMUREDN-KOLCDFICSA-N 0 0 197.278 1.439 10 0 ADAERN Clc1nc(C2CCOCC2)c[nH]1 258607124 573242748 /nfs/dbraw/zinc/24/27/48/573242748.db2.gz TUDAOHMMLQCYJL-UHFFFAOYSA-N 0 0 186.642 1.957 10 0 ADAERN CC(=O)[C@@H](C)N(C)Cc1ccoc1C 50154158 573242756 /nfs/dbraw/zinc/24/27/56/573242756.db2.gz WFKFZWGESGYSOA-MRVPVSSYSA-N 0 0 195.262 1.997 10 0 ADAERN Cc1ccc(-c2c[nH]c(NN)n2)cc1 259046420 573242757 /nfs/dbraw/zinc/24/27/57/573242757.db2.gz IEKOJEPJFCMGSU-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN Nc1cc(Cl)c(C2CC2)[nH]c1=O 257977069 573242771 /nfs/dbraw/zinc/24/27/71/573242771.db2.gz ZHOCFCIQTRXKHP-UHFFFAOYSA-N 0 0 184.626 1.900 10 0 ADAERN CCOc1nc[nH]c1C(C)C 238315535 573242779 /nfs/dbraw/zinc/24/27/79/573242779.db2.gz YLSWTFZNQFPSSZ-UHFFFAOYSA-N 0 0 154.213 1.932 10 0 ADAERN C[C@H](O)c1ccc(O)cc1N 258607326 573242781 /nfs/dbraw/zinc/24/27/81/573242781.db2.gz VMMJDLATTBCQCG-YFKPBYRVSA-N 0 0 153.181 1.028 10 0 ADAERN C[C@H](O)C(F)(F)[C@H]1CCOC1 258607441 573242792 /nfs/dbraw/zinc/24/27/92/573242792.db2.gz VNTVXYKUTHOLAB-WDSKDSINSA-N 0 0 166.167 1.039 10 0 ADAERN CC(=O)c1ccc(NC(=O)C=O)cc1 258605654 573242798 /nfs/dbraw/zinc/24/27/98/573242798.db2.gz AQZGQRGEZQQAOT-UHFFFAOYSA-N 0 0 191.186 1.027 10 0 ADAERN CC[C@H]1CC(C)(C)C(=O)N1 116039750 573242806 /nfs/dbraw/zinc/24/28/06/573242806.db2.gz MJMNOALDRGLTLG-LURJTMIESA-N 0 0 141.214 1.311 10 0 ADAERN COC(C)(C)C(=O)c1nccn1C 86071652 573242809 /nfs/dbraw/zinc/24/28/09/573242809.db2.gz LXGHGXUMDDWNPJ-UHFFFAOYSA-N 0 0 182.223 1.028 10 0 ADAERN CN1COc2c(ccc3c2CCC3)C1 238315971 573242838 /nfs/dbraw/zinc/24/28/38/573242838.db2.gz BYBZVHBOVGQRKM-UHFFFAOYSA-N 0 0 189.258 1.957 10 0 ADAERN CCCC(=O)C(C)(C)OC 86071448 573242840 /nfs/dbraw/zinc/24/28/40/573242840.db2.gz FSTKXTPOJQBQII-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN CN[C@@H](OC)c1cc(F)ccc1OC 259046990 573242841 /nfs/dbraw/zinc/24/28/41/573242841.db2.gz AAJVGJKAFBGPCP-JTQLQIEISA-N 0 0 199.225 1.699 10 0 ADAERN CCc1cc(C(C)(C)C)nc(N)n1 238315412 573242843 /nfs/dbraw/zinc/24/28/43/573242843.db2.gz TXZBLBQJSRGLER-UHFFFAOYSA-N 0 0 179.267 1.919 10 0 ADAERN CC[C@@](O)(Cc1ccccc1)[C@@H](C)O 308529145 573242849 /nfs/dbraw/zinc/24/28/49/573242849.db2.gz BUFKZNFJUNNTIT-ZYHUDNBSSA-N 0 0 194.274 1.751 10 0 ADAERN O=c1cc2cc[nH]cc-2c(O)c1 116066476 573242861 /nfs/dbraw/zinc/24/28/61/573242861.db2.gz LAEXTPRLTBGTKX-UHFFFAOYSA-N 0 0 161.160 1.646 10 0 ADAERN CC(=O)Nc1c(F)cccc1N(C)C 238315914 573242885 /nfs/dbraw/zinc/24/28/85/573242885.db2.gz NRFZGHFESBEHSA-UHFFFAOYSA-N 0 0 196.225 1.850 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@H](C)C[C@@H]1C 82860490 573242887 /nfs/dbraw/zinc/24/28/87/573242887.db2.gz MMPLLHHZXDQJFW-ATZCPNFKSA-N 0 0 199.294 1.875 10 0 ADAERN Clc1c[nH]c(C2CCOCC2)n1 258606947 573242895 /nfs/dbraw/zinc/24/28/95/573242895.db2.gz SYDLAJIPBDXBSJ-UHFFFAOYSA-N 0 0 186.642 1.957 10 0 ADAERN CC[C@H](C)[NH2+]CC(C)(C)CC(=O)[O-] 258608678 573242904 /nfs/dbraw/zinc/24/29/04/573242904.db2.gz IENLEAOIYILCEO-QMMMGPOBSA-N 0 0 187.283 1.875 10 0 ADAERN CCOCc1ccc(N)cc1F 82864871 573242909 /nfs/dbraw/zinc/24/29/09/573242909.db2.gz YCUITJZSRZCXQA-UHFFFAOYSA-N 0 0 169.199 1.944 10 0 ADAERN C/C=C\C(=O)OCCOC1CCC1 308320388 573242938 /nfs/dbraw/zinc/24/29/38/573242938.db2.gz YDSIBOMNKLBVNL-RQOWECAXSA-N 0 0 184.235 1.675 10 0 ADAERN CCc1nc(C=O)[nH]c1C1CC1 258607354 573242954 /nfs/dbraw/zinc/24/29/54/573242954.db2.gz VNEHKVNJXYUDAA-UHFFFAOYSA-N 0 0 164.208 1.662 10 0 ADAERN C1CCC([C@H]2CCNO2)C1 258606789 573242968 /nfs/dbraw/zinc/24/29/68/573242968.db2.gz VIJXEEZFDCNBSD-MRVPVSSYSA-N 0 0 141.214 1.470 10 0 ADAERN C[S@](=O)Cc1ccc(F)cc1N 82864610 573242974 /nfs/dbraw/zinc/24/29/74/573242974.db2.gz UTMZJGBHDBPTKE-GFCCVEGCSA-N 0 0 187.239 1.286 10 0 ADAERN Cc1cc(O)c(Cl)c(CON)c1 257977008 573242991 /nfs/dbraw/zinc/24/29/91/573242991.db2.gz DIAJIHXACASOKY-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN CC[C@H](C)[C@@H](O)C(=O)NC1(C)CC1 308321181 573242992 /nfs/dbraw/zinc/24/29/92/573242992.db2.gz YSFHXCCWCLKKMM-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN CCc1cc(C(C)(C)O)cc(CO)n1 238315601 573242995 /nfs/dbraw/zinc/24/29/95/573242995.db2.gz BSWXGAPXSACJDK-UHFFFAOYSA-N 0 0 195.262 1.364 10 0 ADAERN COC(=O)Nc1cccc(CON)c1 257976967 573243013 /nfs/dbraw/zinc/24/30/13/573243013.db2.gz DHRMLUWFWFSCOL-UHFFFAOYSA-N 0 0 196.206 1.255 10 0 ADAERN C/C=C/CCNC(=O)NCC(F)F 308321158 573243064 /nfs/dbraw/zinc/24/30/64/573243064.db2.gz YRJWCWKFMTWDAD-NSCUHMNNSA-N 0 0 192.209 1.517 10 0 ADAERN C[C@H](O)C(F)(F)[C@@H]1CCOC1 258607429 573243066 /nfs/dbraw/zinc/24/30/66/573243066.db2.gz VNTVXYKUTHOLAB-NTSWFWBYSA-N 0 0 166.167 1.039 10 0 ADAERN C/C=C\COc1nc(NC)ncc1F 308320369 573243081 /nfs/dbraw/zinc/24/30/81/573243081.db2.gz ODXAWECNHCPSEP-ARJAWSKDSA-N 0 0 197.213 1.612 10 0 ADAERN Cc1cc(N)ncc1-c1ncccn1 715725795 573243116 /nfs/dbraw/zinc/24/31/16/573243116.db2.gz QKEZVOZHMFCBDH-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN C=CNC(=O)OC[C@@H](C)CC 238315047 573243120 /nfs/dbraw/zinc/24/31/20/573243120.db2.gz LIFKSFJSEPYVOH-ZETCQYMHSA-N 0 0 157.213 1.902 10 0 ADAERN CCNc1nc(C[C@@H](C)OC)no1 129155824 573243142 /nfs/dbraw/zinc/24/31/42/573243142.db2.gz RXUUOPMVPMLJOX-ZCFIWIBFSA-N 0 0 185.227 1.079 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]1([NH3+])C(=O)[O-] 82860462 573243149 /nfs/dbraw/zinc/24/31/49/573243149.db2.gz SWWHJYPSZMJOJT-FJXKBIBVSA-N 0 0 171.240 1.225 10 0 ADAERN C/C=C\[C@](O)(CO)C/C=C\C=C\C 215099389 573243160 /nfs/dbraw/zinc/24/31/60/573243160.db2.gz OXRRGRAFJNBWTL-HUHKLUQBSA-N 0 0 182.263 1.808 10 0 ADAERN CN[C@H](C=C(C)C)c1nc[nH]n1 86057612 573243164 /nfs/dbraw/zinc/24/31/64/573243164.db2.gz SBXCLOJDCQPKPV-SSDOTTSWSA-N 0 0 166.228 1.031 10 0 ADAERN C[C@H](Cc1ccsc1)NN(C)C 690028476 573243844 /nfs/dbraw/zinc/24/38/44/573243844.db2.gz HKPFDQPRWYHWQN-MRVPVSSYSA-N 0 0 184.308 1.745 10 0 ADAERN OCC[C@@H]1CCc2ccc(O)cc21 257977096 573243233 /nfs/dbraw/zinc/24/32/33/573243233.db2.gz ZHWLEHVRESBKFN-VIFPVBQESA-N 0 0 178.231 1.804 10 0 ADAERN COC(=O)[C@]1(O)C[C@@H](C)CC[C@@H]1C 82861881 573243241 /nfs/dbraw/zinc/24/32/41/573243241.db2.gz LJJRIUYZGDHUKH-NRPADANISA-N 0 0 186.251 1.347 10 0 ADAERN O=Cc1cccn1CCC(F)F 212540303 573243251 /nfs/dbraw/zinc/24/32/51/573243251.db2.gz QEJBQFZOXCACLQ-UHFFFAOYSA-N 0 0 173.162 1.956 10 0 ADAERN Cc1noc(N[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)n1 716625415 573243274 /nfs/dbraw/zinc/24/32/74/573243274.db2.gz PEXNGRKTXLRMGB-VCGXYPBASA-N 0 0 193.250 1.834 10 0 ADAERN CN1OC[C@H]2CNc3ccccc3[C@@H]21 238315783 573243278 /nfs/dbraw/zinc/24/32/78/573243278.db2.gz GDTRHHPCIAQVNZ-LDYMZIIASA-N 0 0 190.246 1.646 10 0 ADAERN CC(=O)[C@@H]1CC12CCC2 211618914 573243291 /nfs/dbraw/zinc/24/32/91/573243291.db2.gz UZUNGBHWOSTCKE-ZETCQYMHSA-N 0 0 124.183 1.766 10 0 ADAERN CC[C@H](O)[C@](C)(O)c1ccccn1 238315886 573243849 /nfs/dbraw/zinc/24/38/49/573243849.db2.gz FLVAASXDJORJBO-VHSXEESVSA-N 0 0 181.235 1.060 10 0 ADAERN COC(=O)[C@]1(O)CC[C@H](C)C[C@H]1C 82861875 573243328 /nfs/dbraw/zinc/24/33/28/573243328.db2.gz ZUMJCEYPPOIJAV-XKSSXDPKSA-N 0 0 186.251 1.347 10 0 ADAERN C/C=C\[C@](O)(CO)C/C=C/C=C/C 215099478 573243329 /nfs/dbraw/zinc/24/33/29/573243329.db2.gz OXRRGRAFJNBWTL-JMCWSSPYSA-N 0 0 182.263 1.808 10 0 ADAERN C[C@]1([C@H]2CCCS2)CNC(=O)C1 257976982 573243354 /nfs/dbraw/zinc/24/33/54/573243354.db2.gz ZFFZQGJUMMONID-VXNVDRBHSA-N 0 0 185.292 1.408 10 0 ADAERN CCO/C=C/NC(=O)c1ccccc1 238315218 573243372 /nfs/dbraw/zinc/24/33/72/573243372.db2.gz BWCBNXIOTILMGH-CMDGGOBGSA-N 0 0 191.230 1.924 10 0 ADAERN CC1([C@@H]([NH2+]CC2CC2)C(=O)[O-])CCC1 686132509 573243373 /nfs/dbraw/zinc/24/33/73/573243373.db2.gz FQCITHCSFXPHSU-VIFPVBQESA-N 0 0 197.278 1.629 10 0 ADAERN CN[C@@H](C=C(C)C)c1nc[nH]n1 86057611 573243378 /nfs/dbraw/zinc/24/33/78/573243378.db2.gz SBXCLOJDCQPKPV-ZETCQYMHSA-N 0 0 166.228 1.031 10 0 ADAERN COC(C)(C)[C@@H](O)C(C)C 86071869 573243393 /nfs/dbraw/zinc/24/33/93/573243393.db2.gz AIKYYPOGJPYGAT-ZETCQYMHSA-N 0 0 146.230 1.428 10 0 ADAERN Cc1nc(N2CCCN2)sc1C 306866037 573243398 /nfs/dbraw/zinc/24/33/98/573243398.db2.gz MWCOTXXENSALDH-UHFFFAOYSA-N 0 0 183.280 1.475 10 0 ADAERN C[C@@H]1CCC[C@@](C(=O)[O-])([NH+](C)C)[C@@H]1C 82861616 573243401 /nfs/dbraw/zinc/24/34/01/573243401.db2.gz RNKLXINBBFUSDS-FXPVBKGRSA-N 0 0 199.294 1.828 10 0 ADAERN COC(C)(C)[C@@H](O)CC1CC1 86072142 573243417 /nfs/dbraw/zinc/24/34/17/573243417.db2.gz CFDKKIQACXUSMW-QMMMGPOBSA-N 0 0 158.241 1.572 10 0 ADAERN NNC1CCC(C(F)(F)F)CC1 82862624 573243435 /nfs/dbraw/zinc/24/34/35/573243435.db2.gz DOADIVTXWPFVPL-UHFFFAOYSA-N 0 0 182.189 1.571 10 0 in-vitro ADAERN CCC[C@@H](CC(C)=O)C(=O)OC 238794915 573243467 /nfs/dbraw/zinc/24/34/67/573243467.db2.gz CYAAZVQHCQNTLE-QMMMGPOBSA-N 0 0 172.224 1.555 10 0 ADAERN CC[C@H](O)[C@@H]1C(=O)CCC[C@@H]1C 238315605 573243473 /nfs/dbraw/zinc/24/34/73/573243473.db2.gz ROFLVCKWCKRURX-OYNCUSHFSA-N 0 0 170.252 1.763 10 0 ADAERN CN(Cc1ccc[nH]1)C(=O)S 258607935 573243477 /nfs/dbraw/zinc/24/34/77/573243477.db2.gz AKBWSYXFMDVHID-UHFFFAOYSA-N 0 0 170.237 1.496 10 0 ADAERN CCc1nc2c(s1)CC[C@@H](O)C2 74284667 573243484 /nfs/dbraw/zinc/24/34/84/573243484.db2.gz OMNOUHCPFYZZAL-ZCFIWIBFSA-N 0 0 183.276 1.555 10 0 ADAERN CN1OC[C@@H]2CNc3ccccc3[C@@H]21 238315753 573243488 /nfs/dbraw/zinc/24/34/88/573243488.db2.gz GDTRHHPCIAQVNZ-GZMMTYOYSA-N 0 0 190.246 1.646 10 0 ADAERN COC(C)(C)C(=O)c1c[nH+]ccc1N 86071655 573243509 /nfs/dbraw/zinc/24/35/09/573243509.db2.gz BQWPADRDOFDZCH-UHFFFAOYSA-N 0 0 194.234 1.272 10 0 ADAERN C[C@@H](O)C(F)(F)[C@H]1CCOC1 258607436 573243516 /nfs/dbraw/zinc/24/35/16/573243516.db2.gz VNTVXYKUTHOLAB-RITPCOANSA-N 0 0 166.167 1.039 10 0 ADAERN C[C@@H]1CC[C@H](NN)[C@H](C)C1 82860458 573243530 /nfs/dbraw/zinc/24/35/30/573243530.db2.gz LMFLGAWIYDUVOB-PRJMDXOYSA-N 0 0 142.246 1.274 10 0 ADAERN CN1Cc2[nH]c3ccccc3c2CN1 238315474 573243533 /nfs/dbraw/zinc/24/35/33/573243533.db2.gz OGMAEYQOWSZFLD-UHFFFAOYSA-N 0 0 187.246 1.618 10 0 ADAERN N#CNC(=O)c1ccoc1Cl 236038774 573243536 /nfs/dbraw/zinc/24/35/36/573243536.db2.gz OSYMHLLAOCFXMU-UHFFFAOYSA-N 0 0 170.555 1.144 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)[C@H]1C 82860483 573243538 /nfs/dbraw/zinc/24/35/38/573243538.db2.gz FWGRAWOEWSDJPY-QXFUBDJGSA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@H](O)C(C)(C)OC 86071865 573243542 /nfs/dbraw/zinc/24/35/42/573243542.db2.gz BNDAMEKERFAUEN-LURJTMIESA-N 0 0 132.203 1.182 10 0 ADAERN OCC[C@H]1CCc2ccc(O)cc21 257977093 573243552 /nfs/dbraw/zinc/24/35/52/573243552.db2.gz ZHWLEHVRESBKFN-SECBINFHSA-N 0 0 178.231 1.804 10 0 ADAERN O=C1CCc2ccc(O)cc2C12CC2 259046045 573243553 /nfs/dbraw/zinc/24/35/53/573243553.db2.gz ANIMQGCAJBHOPV-UHFFFAOYSA-N 0 0 188.226 1.939 10 0 ADAERN COC(C)(C)C(=O)C1CCOCC1 86071804 573243562 /nfs/dbraw/zinc/24/35/62/573243562.db2.gz OKPNMEAWQKWVJE-UHFFFAOYSA-N 0 0 186.251 1.407 10 0 ADAERN CO[C@@H](C)Cc1noc(NC2CC2)n1 129158585 573243578 /nfs/dbraw/zinc/24/35/78/573243578.db2.gz AFXYVCFYRYCQGR-LURJTMIESA-N 0 0 197.238 1.221 10 0 ADAERN CO[C@@H]1COc2c(O)cccc2C1 257976959 573243580 /nfs/dbraw/zinc/24/35/80/573243580.db2.gz ZFAYGASPVZJKCF-QMMMGPOBSA-N 0 0 180.203 1.342 10 0 ADAERN Cc1noc(N[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)n1 716625417 573243591 /nfs/dbraw/zinc/24/35/91/573243591.db2.gz PEXNGRKTXLRMGB-ZOQUXTDFSA-N 0 0 193.250 1.834 10 0 ADAERN Cc1noc(N)c1[C@@H]1CCSC1 257977127 573243600 /nfs/dbraw/zinc/24/36/00/573243600.db2.gz ZIHHJDQKKQHIEX-ZCFIWIBFSA-N 0 0 184.264 1.786 10 0 ADAERN C[C@@H](Cc1ccsc1)NN(C)C 690028477 573243601 /nfs/dbraw/zinc/24/36/01/573243601.db2.gz HKPFDQPRWYHWQN-QMMMGPOBSA-N 0 0 184.308 1.745 10 0 ADAERN CC1([C@H]([NH2+]CC2CC2)C(=O)[O-])CCC1 686132507 573243611 /nfs/dbraw/zinc/24/36/11/573243611.db2.gz FQCITHCSFXPHSU-SECBINFHSA-N 0 0 197.278 1.629 10 0 ADAERN CC(C)=C(F)C(=O)NCC[C@@H](C)O 308320995 573243663 /nfs/dbraw/zinc/24/36/63/573243663.db2.gz BDRJXRGATYFWCX-SSDOTTSWSA-N 0 0 189.230 1.137 10 0 ADAERN C[C@@]1(c2ccccc2O)C[C@H]1CO 257976960 573243679 /nfs/dbraw/zinc/24/36/79/573243679.db2.gz ZFCOAXAIDATBJS-GZMMTYOYSA-N 0 0 178.231 1.662 10 0 ADAERN CC[C@@H](O)C(C)(C)OC 86071866 573243682 /nfs/dbraw/zinc/24/36/82/573243682.db2.gz BNDAMEKERFAUEN-ZCFIWIBFSA-N 0 0 132.203 1.182 10 0 ADAERN C[C@@H]1OCC[C@H]1OC(=O)CC1CC1 308320420 573243683 /nfs/dbraw/zinc/24/36/83/573243683.db2.gz YEFIVWANGYSUSR-IONNQARKSA-N 0 0 184.235 1.507 10 0 ADAERN CC[C@H](O)[C@]1(Cl)CCCCC1=O 238316070 573243715 /nfs/dbraw/zinc/24/37/15/573243715.db2.gz RPXLPPIICHHDPN-IONNQARKSA-N 0 0 190.670 1.878 10 0 ADAERN CN1CNc2cc(F)ccc21 238315691 573243727 /nfs/dbraw/zinc/24/37/27/573243727.db2.gz WZFJUXFXIWTCAF-UHFFFAOYSA-N 0 0 152.172 1.645 10 0 ADAERN O=C1CC[C@H]([C@H]2CCSC2)N1 257977109 573243747 /nfs/dbraw/zinc/24/37/47/573243747.db2.gz ZIEANTSEZNDOIT-NKWVEPMBSA-N 0 0 171.265 1.018 10 0 ADAERN CCn1ncnc1CC(=O)C(C)(C)F 308521830 573243762 /nfs/dbraw/zinc/24/37/62/573243762.db2.gz YJHHMBJUHCSHFX-UHFFFAOYSA-N 0 0 199.229 1.158 10 0 ADAERN Cc1noc(N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)n1 716625402 573243776 /nfs/dbraw/zinc/24/37/76/573243776.db2.gz PEXNGRKTXLRMGB-KDBVAPGDSA-N 0 0 193.250 1.834 10 0 ADAERN c1cnc2c(c1)nnn2[C@H]1CCCO1 258606362 573243777 /nfs/dbraw/zinc/24/37/77/573243777.db2.gz VQKLNHYSTOMIDU-MRVPVSSYSA-N 0 0 190.206 1.135 10 0 ADAERN COC(C)(C)[C@@H](O)c1cnccc1C 86071914 573243792 /nfs/dbraw/zinc/24/37/92/573243792.db2.gz JKVWXEHVUWJCQP-JTQLQIEISA-N 0 0 195.262 1.848 10 0 ADAERN CCC[C@@H](O)CCc1cn(CC)cn1 308522113 573243808 /nfs/dbraw/zinc/24/38/08/573243808.db2.gz IDYDIRVAPADFDO-LLVKDONJSA-N 0 0 196.294 1.997 10 0 ADAERN CC[C@H](O)[C@H]1CCCCN1N=O 238315074 573243822 /nfs/dbraw/zinc/24/38/22/573243822.db2.gz VNQNKLZMUMNWBD-SFYZADRCSA-N 0 0 172.228 1.293 10 0 ADAERN COC(C)(C)C(=O)c1cncnc1 86071606 573243826 /nfs/dbraw/zinc/24/38/26/573243826.db2.gz PRRCIFSQVDMUOK-UHFFFAOYSA-N 0 0 180.207 1.084 10 0 ADAERN CC(=O)CCC(=O)OC[C@@H]1C[C@@H]1C 308320043 573246035 /nfs/dbraw/zinc/24/60/35/573246035.db2.gz XXUIIUZJFVQLAE-CBAPKCEASA-N 0 0 184.235 1.555 10 0 ADAERN CCCC1(CN[C@H]2CCOC2=O)CC1 308523082 573246042 /nfs/dbraw/zinc/24/60/42/573246042.db2.gz PUGKHCZDHKVNKN-VIFPVBQESA-N 0 0 197.278 1.472 10 0 ADAERN COC(C)(C)C(=O)c1cccnc1 86071527 573246047 /nfs/dbraw/zinc/24/60/47/573246047.db2.gz WIBMYWKLEBIMDK-UHFFFAOYSA-N 0 0 179.219 1.689 10 0 ADAERN C[C@@H]1CC[C@](C(=O)[O-])([NH+](C)C)[C@H](C)C1 82861610 573245450 /nfs/dbraw/zinc/24/54/50/573245450.db2.gz LMFOTFMYGVDNBX-KKZNHRDASA-N 0 0 199.294 1.828 10 0 ADAERN COC(=O)[C@H](CC(C)C)N(C)C1CC1 259044027 573245455 /nfs/dbraw/zinc/24/54/55/573245455.db2.gz KYFMOOFMTLJNDR-JTQLQIEISA-N 0 0 199.294 1.668 10 0 ADAERN CC(=O)CCC(=O)OC[C@@H]1C[C@H]1C 308320041 573245468 /nfs/dbraw/zinc/24/54/68/573245468.db2.gz XXUIIUZJFVQLAE-APPZFPTMSA-N 0 0 184.235 1.555 10 0 ADAERN COC(C)(C)[C@@H](O)c1ccc(C)nc1 86072122 573245492 /nfs/dbraw/zinc/24/54/92/573245492.db2.gz NUAHZYTWYYVAIY-JTQLQIEISA-N 0 0 195.262 1.848 10 0 ADAERN C[C@@H]1CCC[C@]2(CC(=O)N2)[C@@H]1C 82862517 573245499 /nfs/dbraw/zinc/24/54/99/573245499.db2.gz FIYLJHZVRCVUPT-MRTMQBJTSA-N 0 0 167.252 1.701 10 0 ADAERN CONCc1cc(C)c(F)cc1F 257977257 573245524 /nfs/dbraw/zinc/24/55/24/573245524.db2.gz DMSRRQOAMJDRLN-UHFFFAOYSA-N 0 0 187.189 1.924 10 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144.214 1.352 10 0 ADAERN C[C@@H]1CC[C@@](C(=O)[O-])([NH+](C)C)[C@H](C)C1 82861608 573245680 /nfs/dbraw/zinc/24/56/80/573245680.db2.gz LMFOTFMYGVDNBX-FXPVBKGRSA-N 0 0 199.294 1.828 10 0 ADAERN CC(=O)CCN(C)Cc1ccoc1 50150963 573245683 /nfs/dbraw/zinc/24/56/83/573245683.db2.gz JTJCSNOZZAPMHY-UHFFFAOYSA-N 0 0 181.235 1.691 10 0 ADAERN CONCc1ccc2c(c1F)CCC2 257977255 573245733 /nfs/dbraw/zinc/24/57/33/573245733.db2.gz DMRYCXPCIPBCPI-UHFFFAOYSA-N 0 0 195.237 1.965 10 0 ADAERN C[C@@H]1CCC[C@@]([NH3+])(C(=O)[O-])[C@@H]1C 82860472 573245736 /nfs/dbraw/zinc/24/57/36/573245736.db2.gz LIKWIJXGSRKQTG-BHNWBGBOSA-N 0 0 171.240 1.225 10 0 ADAERN COC(C)(C)C(=O)c1ccoc1 86071690 573245751 /nfs/dbraw/zinc/24/57/51/573245751.db2.gz GKVXJDSOIUFBQA-UHFFFAOYSA-N 0 0 168.192 1.887 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H](C)[C@@H]1C 82860496 573245761 /nfs/dbraw/zinc/24/57/61/573245761.db2.gz ZOTBJUBWUMKVSQ-WCABBAIRSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)=CCOC/C=C/CO 77949727 573245777 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193.202 1.415 10 0 ADAERN C[C@@]12CC[C@@H](C[C@H]1CO)C2 105282555 573247058 /nfs/dbraw/zinc/24/70/58/573247058.db2.gz OYSSYNJKOVEPDS-CIUDSAMLSA-N 0 0 140.226 1.805 10 0 ADAERN CCC(CC)[C@]1(O)CO[C@H](C)C1 401842469 573247059 /nfs/dbraw/zinc/24/70/59/573247059.db2.gz SFFBEMGCAGGRNU-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)[C@@H](C)C[N@@H+]1CCC[C@H]1C(=O)[O-] 308523158 573247062 /nfs/dbraw/zinc/24/70/62/573247062.db2.gz VJICGURTXNVAGD-UWVGGRQHSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](F)CCn1nnc(C2CC2)n1 308321639 573247064 /nfs/dbraw/zinc/24/70/64/573247064.db2.gz BODYJWFMTYQILN-ZCFIWIBFSA-N 0 0 184.218 1.299 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)CSC 689939197 573247069 /nfs/dbraw/zinc/24/70/69/573247069.db2.gz DCCHLOHDMPEFGF-POYBYMJQSA-N 0 0 174.265 1.344 10 0 ADAERN COC(=O)N[C@@H]1CC(C)=C(C)CO1 238317196 573247074 /nfs/dbraw/zinc/24/70/74/573247074.db2.gz DEQRHFPTAZOOEX-QMMMGPOBSA-N 0 0 185.223 1.425 10 0 ADAERN Cc1cccc(NCC[C@H](C)O)c1N 235554714 573247075 /nfs/dbraw/zinc/24/70/75/573247075.db2.gz FBZYWATYQQQRTP-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CCC[C@@H](C)Cn1ccnc(C)c1=O 308523192 573247076 /nfs/dbraw/zinc/24/70/76/573247076.db2.gz ZCNICWPRZCUUKE-SECBINFHSA-N 0 0 194.278 1.988 10 0 ADAERN CC(C)N(C)c1cc(NC#N)ncn1 259050426 573247083 /nfs/dbraw/zinc/24/70/83/573247083.db2.gz JXYWYLBDPUXSCL-UHFFFAOYSA-N 0 0 191.238 1.214 10 0 ADAERN CC(=O)[C@@H](C)Cc1ccn(C)n1 123908431 573247092 /nfs/dbraw/zinc/24/70/92/573247092.db2.gz MZLBEHVWNOQMRS-ZETCQYMHSA-N 0 0 166.224 1.188 10 0 ADAERN CCc1cc(N)nc(C(C)(C)OC)n1 86075018 573249200 /nfs/dbraw/zinc/24/92/00/573249200.db2.gz ZRQVUGDSFPIEKV-UHFFFAOYSA-N 0 0 195.266 1.503 10 0 ADAERN ONCc1c(F)cccc1Cl 82868786 573249779 /nfs/dbraw/zinc/24/97/79/573249779.db2.gz SQOIRGVQOUDLNZ-UHFFFAOYSA-N 0 0 175.590 1.958 10 0 ADAERN CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 105261415 573249222 /nfs/dbraw/zinc/24/92/22/573249222.db2.gz RAJQCJDROPVISC-RKDXNWHRSA-N 0 0 195.262 1.572 10 0 ADAERN Cc1cncc(OC(C)C)n1 197243581 573249235 /nfs/dbraw/zinc/24/92/35/573249235.db2.gz VDIJRBFKXPTQIO-UHFFFAOYSA-N 0 0 152.197 1.572 10 0 ADAERN COCNc1ccc[nH]1 259048181 573249246 /nfs/dbraw/zinc/24/92/46/573249246.db2.gz JQNCTWFZZMQBPX-UHFFFAOYSA-N 0 0 126.159 1.031 10 0 ADAERN Cc1noc(N[C@@H](C)[C@@H]2CCOC2)n1 235551723 573249248 /nfs/dbraw/zinc/24/92/48/573249248.db2.gz SYZBOWMUIGSBKY-POYBYMJQSA-N 0 0 197.238 1.215 10 0 ADAERN CCCC(=O)N1CCC[C@@H](O)C1(C)C 259047860 573249252 /nfs/dbraw/zinc/24/92/52/573249252.db2.gz GQBCYTPDVIDTRJ-SECBINFHSA-N 0 0 199.294 1.548 10 0 ADAERN CC[C@H](C)Nc1cn(C)nc1COC 308523350 573249256 /nfs/dbraw/zinc/24/92/56/573249256.db2.gz PXDFMCLSHDBINH-QMMMGPOBSA-N 0 0 197.282 1.777 10 0 ADAERN COC(=O)N[C@@H]1CCCC=C1C 238317366 573249264 /nfs/dbraw/zinc/24/92/64/573249264.db2.gz HSZFGADWFADLMF-MRVPVSSYSA-N 0 0 169.224 1.841 10 0 ADAERN CC(C)n1ccc(CCCCO)n1 82867187 573249296 /nfs/dbraw/zinc/24/92/96/573249296.db2.gz MEPPEGMWAAACQV-UHFFFAOYSA-N 0 0 182.267 1.779 10 0 ADAERN CC[C@H]1NC(=O)c2ccccc2[C@H]1O 238317524 573249311 /nfs/dbraw/zinc/24/93/11/573249311.db2.gz DGHLUYYEPPIIAO-NXEZZACHSA-N 0 0 191.230 1.242 10 0 ADAERN Cc1cc(O)c(CCO)cc1Cl 257977147 573249328 /nfs/dbraw/zinc/24/93/28/573249328.db2.gz DKQKRURWDBXFRA-UHFFFAOYSA-N 0 0 186.638 1.889 10 0 ADAERN CCc1ccccc1-c1nonc1N 238316564 573249333 /nfs/dbraw/zinc/24/93/33/573249333.db2.gz WWECFPPMRGTCAQ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CN1C[C@@H](CC(N)=O)c2ccccc21 238316810 573249367 /nfs/dbraw/zinc/24/93/67/573249367.db2.gz DFGTWNNXBFQPAX-MRVPVSSYSA-N 0 0 190.246 1.095 10 0 ADAERN CC(=O)c1cc([C@H]2CCCO2)on1 259393156 573249368 /nfs/dbraw/zinc/24/93/68/573249368.db2.gz WTACXNUVIZAJBM-MRVPVSSYSA-N 0 0 181.191 1.729 10 0 ADAERN Cc1cc(C(N)=O)cnc1CC(C)C 116139288 573249378 /nfs/dbraw/zinc/24/93/78/573249378.db2.gz CKLIMJYGWHTCKZ-UHFFFAOYSA-N 0 0 192.262 1.687 10 0 ADAERN CC(=O)CCc1nccc(C)n1 259048504 573249387 /nfs/dbraw/zinc/24/93/87/573249387.db2.gz IUXVCIJLUBMJQX-UHFFFAOYSA-N 0 0 164.208 1.307 10 0 ADAERN COC(=O)N[C@@H](O)[C@]1(C)CC=CCC1 238316795 573249428 /nfs/dbraw/zinc/24/94/28/573249428.db2.gz IUKRKCJNJMQRGK-WCBMZHEXSA-N 0 0 199.250 1.407 10 0 ADAERN CCONC(=O)/C=C/c1cncs1 393578563 573249429 /nfs/dbraw/zinc/24/94/29/573249429.db2.gz CETOKQQFBZKVNM-ONEGZZNKSA-N 0 0 198.247 1.224 10 0 ADAERN Cc1nonc1COc1ccccc1 82865085 573249444 /nfs/dbraw/zinc/24/94/44/573249444.db2.gz OWRDOEKPAOPMCO-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN Cc1nc([C@@H]2COC(=O)N2)cs1 116180417 573249463 /nfs/dbraw/zinc/24/94/63/573249463.db2.gz KKAPJVULUMFADP-YFKPBYRVSA-N 0 0 184.220 1.232 10 0 ADAERN COCCOCn1cccc1C(C)=O 308523231 573249467 /nfs/dbraw/zinc/24/94/67/573249467.db2.gz ZFJSWEOKLKUDQT-UHFFFAOYSA-N 0 0 197.234 1.311 10 0 ADAERN CC1(CO)COC(c2ccco2)OC1 197242896 573249470 /nfs/dbraw/zinc/24/94/70/573249470.db2.gz XSTQUKQHILEDRM-UHFFFAOYSA-N 0 0 198.218 1.324 10 0 ADAERN O=Cc1cnoc1C[C@H]1CCOC1 259393387 573249479 /nfs/dbraw/zinc/24/94/79/573249479.db2.gz WVVRQUIGUZQXPS-SSDOTTSWSA-N 0 0 181.191 1.066 10 0 ADAERN CCc1nc(C)c([C@@H](O)CC)[nH]1 238316729 573249481 /nfs/dbraw/zinc/24/94/81/573249481.db2.gz VHPNICHIEFJQLZ-ZETCQYMHSA-N 0 0 168.240 1.724 10 0 ADAERN CC[C@H](CO)CSC 258245072 573249485 /nfs/dbraw/zinc/24/94/85/573249485.db2.gz SHBJVQYMJRXYTE-ZCFIWIBFSA-N 0 0 134.244 1.368 10 0 ADAERN CN=[S@@](=O)(CCO)c1ccccc1 238316915 573249545 /nfs/dbraw/zinc/24/95/45/573249545.db2.gz OWXWPTXFIGBGGX-CYBMUJFWSA-N 0 0 199.275 1.136 10 0 ADAERN COC(C)(C)c1nc(C)cc(CO)n1 86075247 573249561 /nfs/dbraw/zinc/24/95/61/573249561.db2.gz BPXQTTUFRNQXJH-UHFFFAOYSA-N 0 0 196.250 1.159 10 0 ADAERN C[C@]12NC(=O)[C@H]1CCc1ccccc12 197252219 573249562 /nfs/dbraw/zinc/24/95/62/573249562.db2.gz IVJNJASQZJFGQM-ZYHUDNBSSA-N 0 0 187.242 1.594 10 0 ADAERN CCOC(=N)C(C)(C)OC 86074754 573249573 /nfs/dbraw/zinc/24/95/73/573249573.db2.gz IVJAJLMGFIGBEC-UHFFFAOYSA-N 0 0 145.202 1.425 10 0 ADAERN CNc1c(-c2cccnc2)n[nH]c1C 259049544 573249602 /nfs/dbraw/zinc/24/96/02/573249602.db2.gz CYCQBJDQUNAGCB-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN COC(C)(C)c1noc(Cl)n1 86074749 573249611 /nfs/dbraw/zinc/24/96/11/573249611.db2.gz OAUAETOPBYHSGX-UHFFFAOYSA-N 0 0 176.603 1.605 10 0 ADAERN Cn1cc(Oc2ccncc2)cn1 258247342 573249615 /nfs/dbraw/zinc/24/96/15/573249615.db2.gz AJGRPECJIFDKBB-UHFFFAOYSA-N 0 0 175.191 1.607 10 0 ADAERN Cn1cc(CON)c2cccc(F)c21 258245044 573249627 /nfs/dbraw/zinc/24/96/27/573249627.db2.gz QVYPGMHAOJITSZ-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN COCC1(Cn2ccnc2)CCC1 308322125 573249628 /nfs/dbraw/zinc/24/96/28/573249628.db2.gz BZMNLHFJCMFSBA-UHFFFAOYSA-N 0 0 180.251 1.700 10 0 ADAERN C/C=C/[C@@H](O)C1(OCC)CC1 238316395 573249637 /nfs/dbraw/zinc/24/96/37/573249637.db2.gz ZQWOKAVZOWXHET-RYEJSQLPSA-N 0 0 156.225 1.493 10 0 ADAERN CCc1cc(C(=O)[O-])cnc1CC 116139487 573249642 /nfs/dbraw/zinc/24/96/42/573249642.db2.gz FFZQRLHYWJQZBR-UHFFFAOYSA-N 0 0 179.219 1.905 10 0 ADAERN C/C=C/C(=O)OC[C@@H]1CC[C@@H](C)O1 308322649 573249662 /nfs/dbraw/zinc/24/96/62/573249662.db2.gz 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/nfs/dbraw/zinc/24/97/59/573249759.db2.gz ZDEJLZGBNKLIIL-GORDUTHDSA-N 0 0 177.203 1.701 10 0 ADAERN C[C@@]12NC(=O)[C@@H]1CCc1ccccc12 197252246 573249771 /nfs/dbraw/zinc/24/97/71/573249771.db2.gz IVJNJASQZJFGQM-JQWIXIFHSA-N 0 0 187.242 1.594 10 0 ADAERN O=C1N[C@@H](c2ccc(F)cn2)CO1 116179980 573250818 /nfs/dbraw/zinc/25/08/18/573250818.db2.gz UZTKFBQVIDANFA-SSDOTTSWSA-N 0 0 182.154 1.002 10 0 ADAERN COCc1ccc(OC)c(C=O)c1F 257979049 573254001 /nfs/dbraw/zinc/25/40/01/573254001.db2.gz JLCKWKMEBRZEDI-UHFFFAOYSA-N 0 0 198.193 1.793 10 0 ADAERN CNc1nccc(C2CCOCC2)n1 259048547 573250820 /nfs/dbraw/zinc/25/08/20/573250820.db2.gz IVNXGWVPLPBKMN-UHFFFAOYSA-N 0 0 193.250 1.412 10 0 ADAERN C[C@@H]1CNc2cccc(N)c2NC1=O 259393518 573250828 /nfs/dbraw/zinc/25/08/28/573250828.db2.gz WXAWRCAYIWDSQB-ZCFIWIBFSA-N 0 0 191.234 1.269 10 0 ADAERN Nc1ccc(N)c(-c2cc[nH]c2)c1 197249101 573250829 /nfs/dbraw/zinc/25/08/29/573250829.db2.gz KVAVSUWJXNIYFB-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN COC(C)(C)c1noc(NC(C)C)n1 86075186 573250834 /nfs/dbraw/zinc/25/08/34/573250834.db2.gz MHJFUSDRGNPZHT-UHFFFAOYSA-N 0 0 199.254 1.771 10 0 ADAERN CN(O)Cc1cn(C)c2c1CCC2 82872697 573250838 /nfs/dbraw/zinc/25/08/38/573250838.db2.gz ASDNCFQEXBDINR-UHFFFAOYSA-N 0 0 180.251 1.335 10 0 ADAERN C[C@@H](F)C(=O)[C@@H](C)F 116188702 573250848 /nfs/dbraw/zinc/25/08/48/573250848.db2.gz GFVWXVJEUISAQT-QWWZWVQMSA-N 0 0 122.114 1.272 10 0 ADAERN CN(O)Cc1cn2ccccc2n1 82869603 573250855 /nfs/dbraw/zinc/25/08/55/573250855.db2.gz AZFGDXNZUYPOGN-UHFFFAOYSA-N 0 0 177.207 1.155 10 0 ADAERN O=C(CO)c1onc2ccsc12 82875493 573254007 /nfs/dbraw/zinc/25/40/07/573254007.db2.gz LKBDLQBHZZDOPA-UHFFFAOYSA-N 0 0 183.188 1.064 10 0 ADAERN COC(C)(C)[C@@H](O)c1ccoc1 86072579 573250858 /nfs/dbraw/zinc/25/08/58/573250858.db2.gz VSRFPUGVDVIJRW-QMMMGPOBSA-N 0 0 170.208 1.738 10 0 ADAERN C[C@H](F)C(=O)[C@H](C)F 116188707 573250872 /nfs/dbraw/zinc/25/08/72/573250872.db2.gz GFVWXVJEUISAQT-IMJSIDKUSA-N 0 0 122.114 1.272 10 0 ADAERN C[C@H](F)CCn1nnc(C2CC2)n1 308321638 573250885 /nfs/dbraw/zinc/25/08/85/573250885.db2.gz BODYJWFMTYQILN-LURJTMIESA-N 0 0 184.218 1.299 10 0 ADAERN CC(C)CC(=O)N1C[C@H](O)CC1(C)C 259050512 573250923 /nfs/dbraw/zinc/25/09/23/573250923.db2.gz GTDLICXBHMOXFR-SECBINFHSA-N 0 0 199.294 1.404 10 0 ADAERN CC[C@@H](C)N(OC)C(=O)NC(C)C 308322039 573250935 /nfs/dbraw/zinc/25/09/35/573250935.db2.gz ZIQALNRUNHQJOC-MRVPVSSYSA-N 0 0 188.271 1.766 10 0 ADAERN CCc1ccnc(CC(C)=O)n1 259050861 573250944 /nfs/dbraw/zinc/25/09/44/573250944.db2.gz JEWCLUXJRJITTK-UHFFFAOYSA-N 0 0 164.208 1.171 10 0 ADAERN CC(=O)c1cccc2ncn(C)c12 82868202 573250951 /nfs/dbraw/zinc/25/09/51/573250951.db2.gz CBDDIJQMCQXNLJ-UHFFFAOYSA-N 0 0 174.203 1.776 10 0 ADAERN CCN(CC)c1cc(NC#N)ncn1 258610809 573250953 /nfs/dbraw/zinc/25/09/53/573250953.db2.gz IMIUHOICCIAWKS-UHFFFAOYSA-N 0 0 191.238 1.216 10 0 ADAERN ONCc1ccc(O)c(Cl)c1 82868164 573250956 /nfs/dbraw/zinc/25/09/56/573250956.db2.gz HCRARXMTEQXPAL-UHFFFAOYSA-N 0 0 173.599 1.524 10 0 ADAERN CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O 105261409 573251015 /nfs/dbraw/zinc/25/10/15/573251015.db2.gz RAJQCJDROPVISC-DTORHVGOSA-N 0 0 195.262 1.572 10 0 ADAERN CC(C)CN(C)C(=O)N1CC(C)C1 308321903 573251026 /nfs/dbraw/zinc/25/10/26/573251026.db2.gz BTSNGKSODLSWJH-UHFFFAOYSA-N 0 0 184.283 1.646 10 0 ADAERN Cc1ccc(C)c(C[C@@H](O)[C@H](C)O)c1 235555377 573251525 /nfs/dbraw/zinc/25/15/25/573251525.db2.gz SSVRIMLSGIMMAJ-CMPLNLGQSA-N 0 0 194.274 1.588 10 0 ADAERN CC(C)CNC(=O)C[C@H](O)C(C)C 308328734 573253724 /nfs/dbraw/zinc/25/37/24/573253724.db2.gz IXSFQMREXSMUAF-VIFPVBQESA-N 0 0 187.283 1.166 10 0 ADAERN Oc1ccc(-n2cnnc2)cc1F 82878434 573253733 /nfs/dbraw/zinc/25/37/33/573253733.db2.gz PRUOESRWMKIWPW-UHFFFAOYSA-N 0 0 179.154 1.112 10 0 ADAERN N#CNC(=O)c1ccc2c(c1)CCC2 86076933 573253749 /nfs/dbraw/zinc/25/37/49/573253749.db2.gz RHAXVAFCBGHVSI-UHFFFAOYSA-N 0 0 186.214 1.386 10 0 ADAERN CC(C)C[NH2+]CC[C@H](C)C(=O)[O-] 258613045 573253753 /nfs/dbraw/zinc/25/37/53/573253753.db2.gz ISOUZTNKAZEQNQ-QMMMGPOBSA-N 0 0 173.256 1.343 10 0 ADAERN C[C@@H]1CN(C)c2cc(CON)ccc21 258259475 573253768 /nfs/dbraw/zinc/25/37/68/573253768.db2.gz YIGQMMVIFSYQQV-MRVPVSSYSA-N 0 0 192.262 1.630 10 0 ADAERN CCc1sc(C(=O)NC#N)cc1C 86076705 573253775 /nfs/dbraw/zinc/25/37/75/573253775.db2.gz LZPWEACUZGNGDO-UHFFFAOYSA-N 0 0 194.259 1.830 10 0 ADAERN NC(=O)Nc1ccc(Cl)c(O)c1 82879598 573253785 /nfs/dbraw/zinc/25/37/85/573253785.db2.gz VDWMPAXIELHTOM-UHFFFAOYSA-N 0 0 186.598 1.536 10 0 ADAERN COc1ccccc1[C@@H]1COC[C@H]1O 687957730 573253789 /nfs/dbraw/zinc/25/37/89/573253789.db2.gz BFOLKUIDRRXTRD-VHSXEESVSA-N 0 0 194.230 1.170 10 0 ADAERN C[N@@H+]1CC[C@@H]([C@@]2(C(=O)[O-])CC2(C)C)C1 259052431 573253790 /nfs/dbraw/zinc/25/37/90/573253790.db2.gz VLQKPYQLJLDUTD-LDYMZIIASA-N 0 0 197.278 1.439 10 0 ADAERN Cc1cc([C@@H](C)NCC(F)F)no1 308327836 573253791 /nfs/dbraw/zinc/25/37/91/573253791.db2.gz HXGDBBOLBPOAQZ-ZCFIWIBFSA-N 0 0 190.193 1.899 10 0 ADAERN CCO[C@H](C)C(=O)OCC(C)(C)F 308328435 573253798 /nfs/dbraw/zinc/25/37/98/573253798.db2.gz HFOLJKQNAFQSFB-SSDOTTSWSA-N 0 0 192.230 1.703 10 0 ADAERN CN(C)c1c(F)ccc(F)c1C=O 259393343 573253814 /nfs/dbraw/zinc/25/38/14/573253814.db2.gz HVXAUBAIOQSIPR-UHFFFAOYSA-N 0 0 185.173 1.843 10 0 ADAERN N#CNC(=O)c1ccc(Cl)o1 236043171 573253853 /nfs/dbraw/zinc/25/38/53/573253853.db2.gz KJZIDCRWMJKYHK-UHFFFAOYSA-N 0 0 170.555 1.144 10 0 ADAERN O=C1CCCOc2ccc(O)cc2N1 258252051 573253889 /nfs/dbraw/zinc/25/38/89/573253889.db2.gz LZFIHMLDZWQVDW-UHFFFAOYSA-N 0 0 193.202 1.503 10 0 ADAERN Cn1cc(CO)c2ccc(N)cc21 257978982 573253890 /nfs/dbraw/zinc/25/38/90/573253890.db2.gz JJEYOQRAFBTJAM-UHFFFAOYSA-N 0 0 176.219 1.253 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2cc(F)ccc2N1 258249038 573253897 /nfs/dbraw/zinc/25/38/97/573253897.db2.gz XRAAPNMKCFILJJ-LDWIPMOCSA-N 0 0 181.210 1.543 10 0 ADAERN Cc1ccc(F)cc1C(=O)NC#N 86077629 573253901 /nfs/dbraw/zinc/25/39/01/573253901.db2.gz KXKMDJVESYHTST-UHFFFAOYSA-N 0 0 178.166 1.345 10 0 ADAERN Cc1ccc(O)c(CCO)c1F 257979097 573253923 /nfs/dbraw/zinc/25/39/23/573253923.db2.gz JMLMWQXLMCPWFX-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN CCNc1ccc(O)c(F)c1 82878616 573253929 /nfs/dbraw/zinc/25/39/29/573253929.db2.gz VMTGTSRONDJPJH-UHFFFAOYSA-N 0 0 155.172 1.963 10 0 ADAERN CC(=O)[C@H]1Cc2cc(C)ccc2N1 258248876 573253933 /nfs/dbraw/zinc/25/39/33/573253933.db2.gz XPSFMTYNBNSXDE-LLVKDONJSA-N 0 0 175.231 1.921 10 0 ADAERN Cc1cc(C(=O)NC#N)c(C)o1 86076877 573253950 /nfs/dbraw/zinc/25/39/50/573253950.db2.gz RVWIOEKTCIKMBU-UHFFFAOYSA-N 0 0 164.164 1.107 10 0 ADAERN CC(=O)C[C@H]1Cc2cc(O)ccc2N1 258251451 573253987 /nfs/dbraw/zinc/25/39/87/573253987.db2.gz XUUFFJYFNGGDIR-VIFPVBQESA-N 0 0 191.230 1.708 10 0 ADAERN C[C@H]1CNc2cccc(N)c2NC1=O 259393514 573253989 /nfs/dbraw/zinc/25/39/89/573253989.db2.gz WXAWRCAYIWDSQB-LURJTMIESA-N 0 0 191.234 1.269 10 0 ADAERN COC(=O)Nc1ccc(O)cc1F 82879409 573255357 /nfs/dbraw/zinc/25/53/57/573255357.db2.gz PHXJWYHVDPDPOW-UHFFFAOYSA-N 0 0 185.154 1.710 10 0 ADAERN C=CC(=O)Nc1ccc(O)c(F)c1 82878375 573255371 /nfs/dbraw/zinc/25/53/71/573255371.db2.gz HMQDIFYWMKZMSZ-UHFFFAOYSA-N 0 0 181.166 1.656 10 0 ADAERN Cn1ccc(C[C@H]2CCCCC2=O)n1 123909956 573255387 /nfs/dbraw/zinc/25/53/87/573255387.db2.gz HYJHQCKYNUURAO-SECBINFHSA-N 0 0 192.262 1.722 10 0 ADAERN Oc1ccc(F)cc1CC1(O)CC1 257979224 573255396 /nfs/dbraw/zinc/25/53/96/573255396.db2.gz DOCTUCHSQFVADT-UHFFFAOYSA-N 0 0 182.194 1.599 10 0 ADAERN Cc1ccc(C(=O)NC#N)cc1Cl 86077618 573255405 /nfs/dbraw/zinc/25/54/05/573255405.db2.gz LYMVYAPOYKULOO-UHFFFAOYSA-N 0 0 194.621 1.859 10 0 ADAERN CNC1=CC2(CCCCC2)OC1=O 238317790 573255431 /nfs/dbraw/zinc/25/54/31/573255431.db2.gz ASWYJCCARNVXJV-UHFFFAOYSA-N 0 0 181.235 1.349 10 0 ADAERN N#CNC(=O)c1cc(F)ccc1F 86076896 573255464 /nfs/dbraw/zinc/25/54/64/573255464.db2.gz IQBNLWLVCGZMSQ-UHFFFAOYSA-N 0 0 182.129 1.176 10 0 ADAERN C[C@@H](C[C@H]([NH3+])c1ccc[nH]1)C(=O)[O-] 259395047 573255515 /nfs/dbraw/zinc/25/55/15/573255515.db2.gz NVMCKPLZAGVVMN-BQBZGAKWSA-N 0 0 182.223 1.125 10 0 ADAERN Cc1cn(C)c2ccc(CON)cc12 257979558 573255543 /nfs/dbraw/zinc/25/55/43/573255543.db2.gz HAJYAQKBRGWVER-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN CC(=O)c1noc([C@H]2CCCS2)n1 257979877 573255551 /nfs/dbraw/zinc/25/55/51/573255551.db2.gz KVQFXQPUFAWUBE-ZCFIWIBFSA-N 0 0 198.247 1.840 10 0 ADAERN C[C@@H](CCC1=CC[NH2+]CC1)C(=O)[O-] 258251082 573255580 /nfs/dbraw/zinc/25/55/80/573255580.db2.gz XTCCJNMSUAIVAV-QMMMGPOBSA-N 0 0 183.251 1.407 10 0 ADAERN CSCc1ccc(C(=O)NC#N)o1 86076913 573255581 /nfs/dbraw/zinc/25/55/81/573255581.db2.gz YNDHDEDFSLPIBC-UHFFFAOYSA-N 0 0 196.231 1.353 10 0 ADAERN C[C@H](C[C@H]([NH3+])c1ccc[nH]1)C(=O)[O-] 259395060 573255612 /nfs/dbraw/zinc/25/56/12/573255612.db2.gz NVMCKPLZAGVVMN-RQJHMYQMSA-N 0 0 182.223 1.125 10 0 ADAERN CC[C@H](O)c1cncc2nccn12 238318370 573255626 /nfs/dbraw/zinc/25/56/26/573255626.db2.gz CKWGJOGRKNNPGM-QMMMGPOBSA-N 0 0 177.207 1.173 10 0 ADAERN CC(C)C(=O)Nc1ccc(CO)cc1 82878824 573255645 /nfs/dbraw/zinc/25/56/45/573255645.db2.gz JJDBERYCZCWQGA-UHFFFAOYSA-N 0 0 193.246 1.773 10 0 ADAERN CNC1=NO[C@H](c2ccccc2)C1 238318198 573255663 /nfs/dbraw/zinc/25/56/63/573255663.db2.gz ARDCYRLDGVARAH-VIFPVBQESA-N 0 0 176.219 1.681 10 0 ADAERN Oc1ccc(N[C@@H]2CCOC2)cc1F 82878634 573255706 /nfs/dbraw/zinc/25/57/06/573255706.db2.gz BVESJDIEGSNFJB-MRVPVSSYSA-N 0 0 197.209 1.732 10 0 ADAERN Cc1ccsc1[C@@H]([NH3+])CCC(=O)[O-] 42730531 573255710 /nfs/dbraw/zinc/25/57/10/573255710.db2.gz HFJRSNIFAICYMY-ZETCQYMHSA-N 0 0 199.275 1.921 10 0 ADAERN NC(=O)Nc1ccc(O)c(Cl)c1 82879710 573255715 /nfs/dbraw/zinc/25/57/15/573255715.db2.gz UTINWYDPJFLMPG-UHFFFAOYSA-N 0 0 186.598 1.536 10 0 ADAERN CCc1ccsc1C(=O)NC#N 86076862 573255742 /nfs/dbraw/zinc/25/57/42/573255742.db2.gz IZQCFIJCOONBGC-UHFFFAOYSA-N 0 0 180.232 1.521 10 0 ADAERN Nc1cccc2c1C[C@@H]1O[C@@H]1C2 116212459 573255768 /nfs/dbraw/zinc/25/57/68/573255768.db2.gz AXTABTVEOPXSTK-ZJUUUORDSA-N 0 0 161.204 1.135 10 0 ADAERN C[C@H](c1ccccc1)[C@](C)(O)CCO 308530058 573255786 /nfs/dbraw/zinc/25/57/86/573255786.db2.gz CCHFNXRPCBADLB-ZYHUDNBSSA-N 0 0 194.274 1.924 10 0 ADAERN C/C(=C\C(C)(C)C)C(=O)OCCO 308328527 573255789 /nfs/dbraw/zinc/25/57/89/573255789.db2.gz ITFRUQFFWTYDPQ-BQYQJAHWSA-N 0 0 186.251 1.514 10 0 ADAERN Cc1oc(CN)nc1C1CC1 258613353 573255795 /nfs/dbraw/zinc/25/57/95/573255795.db2.gz WACKTWOWCYXJRU-UHFFFAOYSA-N 0 0 152.197 1.319 10 0 ADAERN Cc1ccc(C(=O)NC#N)s1 86077160 573255799 /nfs/dbraw/zinc/25/57/99/573255799.db2.gz VRSALOYZSPQVQE-UHFFFAOYSA-N 0 0 166.205 1.267 10 0 ADAERN COc1nc(C)nc(Cl)c1C=O 82879361 573255811 /nfs/dbraw/zinc/25/58/11/573255811.db2.gz BLLOAFQJVCHMIA-UHFFFAOYSA-N 0 0 186.598 1.260 10 0 ADAERN CNC(=[NH2+])c1c(C)cccc1[O-] 238319209 573256233 /nfs/dbraw/zinc/25/62/33/573256233.db2.gz MGBHSRHORCXWNQ-UHFFFAOYSA-N 0 0 164.208 1.245 10 0 ADAERN CC(C)Cc1ncc([C@@H](C)O)o1 258251473 573256252 /nfs/dbraw/zinc/25/62/52/573256252.db2.gz WVQOVIYWALIDBK-SSDOTTSWSA-N 0 0 169.224 1.926 10 0 ADAERN CC(C)c1c[nH]c([C@H]([NH3+])CC(=O)[O-])n1 259054805 573256253 /nfs/dbraw/zinc/25/62/53/573256253.db2.gz IZKYNINUPOFDQK-ZCFIWIBFSA-N 0 0 197.238 1.008 10 0 ADAERN O=C1C[C@@H](C2CCCC2)[C@@H](CCO)N1 215116976 573256268 /nfs/dbraw/zinc/25/62/68/573256268.db2.gz XVIOEAMLJKBTCN-VHSXEESVSA-N 0 0 197.278 1.064 10 0 ADAERN CCc1cc(C)c(=O)[nH]c1C(=O)OC 238319032 573256273 /nfs/dbraw/zinc/25/62/73/573256273.db2.gz QFUVBAFEUNWRJW-UHFFFAOYSA-N 0 0 195.218 1.032 10 0 ADAERN NC(=O)Nc1ccc(O)cc1Cl 82879832 573256278 /nfs/dbraw/zinc/25/62/78/573256278.db2.gz DCVUUOAPQPSFPG-UHFFFAOYSA-N 0 0 186.598 1.536 10 0 ADAERN CC[C@H](C)n1ccc(CO)n1 82876289 573256297 /nfs/dbraw/zinc/25/62/97/573256297.db2.gz HNLLWQRVFBJWPX-ZETCQYMHSA-N 0 0 154.213 1.346 10 0 ADAERN Oc1ccc(N[C@H]2CCOC2)cc1F 82878636 573256310 /nfs/dbraw/zinc/25/63/10/573256310.db2.gz BVESJDIEGSNFJB-QMMMGPOBSA-N 0 0 197.209 1.732 10 0 ADAERN CC(C)(C)C[C@H](C[NH2+]C1CC1)C(=O)[O-] 258259696 573256330 /nfs/dbraw/zinc/25/63/30/573256330.db2.gz TXUGQWIMUGUOAG-MRVPVSSYSA-N 0 0 199.294 1.875 10 0 ADAERN O=c1ccn(CC2CCC2)cc1 123918813 573256337 /nfs/dbraw/zinc/25/63/37/573256337.db2.gz FRMXDHKALHRKHW-UHFFFAOYSA-N 0 0 163.220 1.648 10 0 ADAERN Cc1ccc(F)c(C[C@H](C)O)c1O 257981607 573256338 /nfs/dbraw/zinc/25/63/38/573256338.db2.gz DTOWAWMRGQLQCG-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN CC(C)(CO)c1ccc(O)cc1C=O 257981718 573256788 /nfs/dbraw/zinc/25/67/88/573256788.db2.gz DVCNWKWVSSPDEI-UHFFFAOYSA-N 0 0 194.230 1.475 10 0 ADAERN OCCSc1ccc2c(c1)OCO2 259055108 573256796 /nfs/dbraw/zinc/25/67/96/573256796.db2.gz MBPRMIMPPKVTAG-UHFFFAOYSA-N 0 0 198.243 1.500 10 0 ADAERN CC[C@H]1CO[C@](C)(C(C)=O)O1 238319464 573256797 /nfs/dbraw/zinc/25/67/97/573256797.db2.gz TXISAOQSESPWGK-YUMQZZPRSA-N 0 0 158.197 1.117 10 0 ADAERN CC(C)C[C@H]1CSCC(=O)N1 257980750 573256799 /nfs/dbraw/zinc/25/67/99/573256799.db2.gz ZRJQSMHEMAPGCK-ZETCQYMHSA-N 0 0 173.281 1.264 10 0 ADAERN Cc1cc([C@H](C)NCC(F)F)no1 308327835 573256803 /nfs/dbraw/zinc/25/68/03/573256803.db2.gz HXGDBBOLBPOAQZ-LURJTMIESA-N 0 0 190.193 1.899 10 0 ADAERN CCc1cc2ncnc(Cl)n2n1 238319448 573256807 /nfs/dbraw/zinc/25/68/07/573256807.db2.gz BUFKTCXEGAKICG-UHFFFAOYSA-N 0 0 182.614 1.340 10 0 ADAERN CC[C@]1(C)NC(=O)[C@H]2CCC[C@@H]2O1 238319008 573256829 /nfs/dbraw/zinc/25/68/29/573256829.db2.gz GFLQOFUFLFDTRX-OYNCUSHFSA-N 0 0 183.251 1.428 10 0 ADAERN Oc1c(F)cccc1C1(O)CC1 257980884 573256835 /nfs/dbraw/zinc/25/68/35/573256835.db2.gz JSJNJOLQGIGQHC-UHFFFAOYSA-N 0 0 168.167 1.513 10 0 ADAERN CNC(=[NH2+])c1ccccc1[S-] 238319367 573256857 /nfs/dbraw/zinc/25/68/57/573256857.db2.gz YNHCTDKZDSGJDE-UHFFFAOYSA-N 0 0 166.249 1.520 10 0 ADAERN CCc1cc(C)c(CC(N)=O)s1 238319360 573256868 /nfs/dbraw/zinc/25/68/68/573256868.db2.gz STNBFZZZWQPURR-UHFFFAOYSA-N 0 0 183.276 1.647 10 0 ADAERN O=C1C[C@H](C2CCCC2)[C@@H](CCO)N1 215117020 573256872 /nfs/dbraw/zinc/25/68/72/573256872.db2.gz XVIOEAMLJKBTCN-NXEZZACHSA-N 0 0 197.278 1.064 10 0 ADAERN CNC(=O)[C@@]1(C)C[C@H]2C=C[C@@H]1C2 238318921 573256873 /nfs/dbraw/zinc/25/68/73/573256873.db2.gz AAGOFEBZLZPNTC-XKSSXDPKSA-N 0 0 165.236 1.335 10 0 ADAERN C[C@](CO)(CON)C1CCCCC1 257981479 573256883 /nfs/dbraw/zinc/25/68/83/573256883.db2.gz ZTIUQZHEKXVNHA-JTQLQIEISA-N 0 0 187.283 1.456 10 0 ADAERN CC[C@]1(C)NC(=O)[C@@H]2CCC[C@@H]2O1 238318949 573256910 /nfs/dbraw/zinc/25/69/10/573256910.db2.gz GFLQOFUFLFDTRX-KHQFGBGNSA-N 0 0 183.251 1.428 10 0 ADAERN ONCc1ccc(OC2CC2)cc1 257980859 573256923 /nfs/dbraw/zinc/25/69/23/573256923.db2.gz JRHLWMPULNDHIY-UHFFFAOYSA-N 0 0 179.219 1.707 10 0 ADAERN C/C=C/OCCCCO 116288865 573256929 /nfs/dbraw/zinc/25/69/29/573256929.db2.gz UFRCCJVCWZAEBT-QHHAFSJGSA-N 0 0 130.187 1.309 10 0 ADAERN Cc1ccc(C)c(N(C)C(=O)C=O)c1 258613452 573256982 /nfs/dbraw/zinc/25/69/82/573256982.db2.gz BFAUFDHNEIPYEK-UHFFFAOYSA-N 0 0 191.230 1.465 10 0 ADAERN CC[C@H](CO)c1cc[nH]c1 259055209 573256985 /nfs/dbraw/zinc/25/69/85/573256985.db2.gz ATDRESLKERUDDP-SSDOTTSWSA-N 0 0 139.198 1.501 10 0 ADAERN CN(C)C(=S)[C@@H](O)c1ccccc1 238318999 573256986 /nfs/dbraw/zinc/25/69/86/573256986.db2.gz BDPQSYOSFNUMQS-VIFPVBQESA-N 0 0 195.287 1.609 10 0 ADAERN CC[C@@]1(C)c2ccccc2C(=O)[C@@H]1O 238319421 573256990 /nfs/dbraw/zinc/25/69/90/573256990.db2.gz IXKHVWKJTZXXJA-RYUDHWBXSA-N 0 0 190.242 1.912 10 0 ADAERN O=C1C[C@H](CO)[C@H](CC2CCCC2)N1 215116277 573256997 /nfs/dbraw/zinc/25/69/97/573256997.db2.gz CFJMFWZSZOCLNL-ZJUUUORDSA-N 0 0 197.278 1.064 10 0 ADAERN CC(C)(C)[Si](C)(C)C[C@@H](O)CO 230520610 573257043 /nfs/dbraw/zinc/25/70/43/573257043.db2.gz WKSBGCZYMXJICN-QMMMGPOBSA-N 0 0 190.359 1.848 10 0 ADAERN CC(C)C[NH2+]CC(C)(C)CC(=O)[O-] 258612996 573257059 /nfs/dbraw/zinc/25/70/59/573257059.db2.gz IRGLHCCZCWFBMM-UHFFFAOYSA-N 0 0 187.283 1.733 10 0 ADAERN O=C1N[C@@H](C2CCCCC2)C[C@@H]1CO 215116386 573257060 /nfs/dbraw/zinc/25/70/60/573257060.db2.gz HDICAVPDXYXTGO-NXEZZACHSA-N 0 0 197.278 1.064 10 0 ADAERN CC(=O)c1nncc(C2CCC2)n1 257981459 573257072 /nfs/dbraw/zinc/25/70/72/573257072.db2.gz ZTEPHLXDGCAIIS-UHFFFAOYSA-N 0 0 177.207 1.342 10 0 ADAERN CC[C@@H](CO)c1cc[nH]c1 259055212 573257101 /nfs/dbraw/zinc/25/71/01/573257101.db2.gz ATDRESLKERUDDP-ZETCQYMHSA-N 0 0 139.198 1.501 10 0 ADAERN C[C@H](CO)c1ccccc1NC(N)=O 257981444 573257110 /nfs/dbraw/zinc/25/71/10/573257110.db2.gz DRSZIPNLBNRXDR-SSDOTTSWSA-N 0 0 194.234 1.273 10 0 ADAERN O=C1C[C@@H](CO)[C@H](CC2CCCC2)N1 215116179 573257114 /nfs/dbraw/zinc/25/71/14/573257114.db2.gz CFJMFWZSZOCLNL-UWVGGRQHSA-N 0 0 197.278 1.064 10 0 ADAERN COCCc1cccc(CCCO)c1 259399362 573257123 /nfs/dbraw/zinc/25/71/23/573257123.db2.gz JASOSXVXWOSCQJ-UHFFFAOYSA-N 0 0 194.274 1.800 10 0 ADAERN O=C([O-])[C@]1(c2ccco2)CCCC[NH2+]1 257980212 573257129 /nfs/dbraw/zinc/25/71/29/573257129.db2.gz DZWGUNWVRALGFJ-SNVBAGLBSA-N 0 0 195.218 1.333 10 0 ADAERN Nc1ccc(-c2ccc[nH]2)c(N)c1 116321785 573257130 /nfs/dbraw/zinc/25/71/30/573257130.db2.gz IQIMZOMVLZXJRA-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN O=C1C[C@@H](C2CCCC2)[C@H](CCO)N1 215117070 573257139 /nfs/dbraw/zinc/25/71/39/573257139.db2.gz XVIOEAMLJKBTCN-UWVGGRQHSA-N 0 0 197.278 1.064 10 0 ADAERN COCCc1ncc2c(O)cccn12 258261519 573257152 /nfs/dbraw/zinc/25/71/52/573257152.db2.gz MVSUXIZXQKDTFO-UHFFFAOYSA-N 0 0 192.218 1.229 10 0 ADAERN Nc1ncnnc1-c1ccc(F)cc1 259398449 573257160 /nfs/dbraw/zinc/25/71/60/573257160.db2.gz YNFOYECJEFVWJX-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN O=C1C[C@@H](CO)[C@@H](C2CCCCC2)N1 215116761 573257177 /nfs/dbraw/zinc/25/71/77/573257177.db2.gz ZMSZMHSJUHDTNZ-GXSJLCMTSA-N 0 0 197.278 1.064 10 0 ADAERN NC1=NO[C@H](c2cccc(O)c2)C1 257980666 573257198 /nfs/dbraw/zinc/25/71/98/573257198.db2.gz ZPWOJXJCDNWCIZ-QMMMGPOBSA-N 0 0 178.191 1.126 10 0 ADAERN Cc1ccc(F)c(C(=O)NC#N)c1 86085171 573257210 /nfs/dbraw/zinc/25/72/10/573257210.db2.gz UXHLSBIONYUZNH-UHFFFAOYSA-N 0 0 178.166 1.345 10 0 ADAERN CCCc1cc(C)nc(C(C)=O)n1 259052340 573257218 /nfs/dbraw/zinc/25/72/18/573257218.db2.gz JFIVGXVXIGXKOE-UHFFFAOYSA-N 0 0 178.235 1.940 10 0 ADAERN C[C@@H]1Cc2nc(N)sc2[C@@H](C)O1 116323416 573257239 /nfs/dbraw/zinc/25/72/39/573257239.db2.gz UFYIWZHJBCLUKF-RFZPGFLSSA-N 0 0 184.264 1.748 10 0 ADAERN CC[C@]1(C)NC(=O)[C@@H]2CCCC[C@@H]2O1 238318936 573257243 /nfs/dbraw/zinc/25/72/43/573257243.db2.gz YFHQPEMAELJTNV-WCABBAIRSA-N 0 0 197.278 1.818 10 0 ADAERN C[N@@H+]1CC[C@@H]([C@]2(C(=O)[O-])CC2(C)C)C1 259052423 573257269 /nfs/dbraw/zinc/25/72/69/573257269.db2.gz VLQKPYQLJLDUTD-KCJUWKMLSA-N 0 0 197.278 1.439 10 0 ADAERN O=C1C[C@H](CO)[C@@H](C2CCCCC2)N1 215116862 573257303 /nfs/dbraw/zinc/25/73/03/573257303.db2.gz ZMSZMHSJUHDTNZ-MWLCHTKSSA-N 0 0 197.278 1.064 10 0 ADAERN CC[N@@H+]1CC[C@@](C)(CC(=O)[O-])C1 259397389 573257304 /nfs/dbraw/zinc/25/73/04/573257304.db2.gz MCBZARNKQNIPIO-VIFPVBQESA-N 0 0 171.240 1.193 10 0 ADAERN Cc1c(F)ccc(O)c1[C@@H](C)CO 257981782 573257321 /nfs/dbraw/zinc/25/73/21/573257321.db2.gz DVWXIOFQQKULCV-LURJTMIESA-N 0 0 184.210 1.936 10 0 ADAERN CC/C=C/C(=O)N(C)CC[C@H](C)O 308329377 573257323 /nfs/dbraw/zinc/25/73/23/573257323.db2.gz IASMIUWHDGQBHC-CYNONHLPSA-N 0 0 185.267 1.182 10 0 ADAERN CNc1ccc2nsnc2c1N 238319443 573257347 /nfs/dbraw/zinc/25/73/47/573257347.db2.gz VVXSXZJJSMCPFX-UHFFFAOYSA-N 0 0 180.236 1.315 10 0 ADAERN CN(C)C(=S)c1ccc(C=O)cc1 238319128 573257353 /nfs/dbraw/zinc/25/73/53/573257353.db2.gz ICDZHEBVTJBFQU-UHFFFAOYSA-N 0 0 193.271 1.736 10 0 ADAERN O=C1C[C@@H](CO)[C@H](C2CCCCC2)N1 215116809 573257359 /nfs/dbraw/zinc/25/73/59/573257359.db2.gz ZMSZMHSJUHDTNZ-ONGXEEELSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H](CO)c1ccc(O)cc1C=O 257980820 573257368 /nfs/dbraw/zinc/25/73/68/573257368.db2.gz JOSICSFEJIIOCQ-ZETCQYMHSA-N 0 0 180.203 1.301 10 0 ADAERN Oc1ccc(COc2cnoc2)cc1 258260327 573257373 /nfs/dbraw/zinc/25/73/73/573257373.db2.gz AVGTZNVGTQBUDM-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN OCc1cc(CC2(O)CC2)ccc1F 257981477 573257685 /nfs/dbraw/zinc/25/76/85/573257685.db2.gz DSMPGWVSONCIRY-UHFFFAOYSA-N 0 0 196.221 1.385 10 0 ADAERN CCSCCC[C@H](N)C(=O)OC 129219487 573257689 /nfs/dbraw/zinc/25/76/89/573257689.db2.gz YPQDNVFJKXDUKB-ZETCQYMHSA-N 0 0 191.296 1.020 10 0 ADAERN C[C@H](O)c1ccc2c(c1)NC(=O)C2 257980834 573257697 /nfs/dbraw/zinc/25/76/97/573257697.db2.gz JPYCFSDINHLOQU-LURJTMIESA-N 0 0 177.203 1.235 10 0 ADAERN CNC(=[NH2+])c1c([O-])cccc1SC 238319318 573257699 /nfs/dbraw/zinc/25/76/99/573257699.db2.gz CKNWXTBXOGEUBB-UHFFFAOYSA-N 0 0 196.275 1.659 10 0 ADAERN CC[C@H](O)C(=O)c1ccc(O)cc1 142335141 573257701 /nfs/dbraw/zinc/25/77/01/573257701.db2.gz DLFAJNGUGADLTK-VIFPVBQESA-N 0 0 180.203 1.346 10 0 ADAERN CCOC(=O)[C@H](N)CCCSC 129219967 573257703 /nfs/dbraw/zinc/25/77/03/573257703.db2.gz MEQLKWVNRDOFQW-SSDOTTSWSA-N 0 0 191.296 1.020 10 0 ADAERN COCC(=O)NC1CC(C(C)C)C1 308329322 573257706 /nfs/dbraw/zinc/25/77/06/573257706.db2.gz HYFVFLRMEOSYCZ-UHFFFAOYSA-N 0 0 185.267 1.184 10 0 ADAERN Cc1coc(NC(=O)C(C)C)n1 142310057 573257714 /nfs/dbraw/zinc/25/77/14/573257714.db2.gz RPEMYMYUZHWAAT-UHFFFAOYSA-N 0 0 168.196 1.578 10 0 ADAERN CCNC(=O)/C=C\c1ccncc1 308329348 573257715 /nfs/dbraw/zinc/25/77/15/573257715.db2.gz HZLTUBLYPDWCES-ARJAWSKDSA-N 0 0 176.219 1.231 10 0 ADAERN CONC(=O)C1CCC(C)CC1 116291781 573257719 /nfs/dbraw/zinc/25/77/19/573257719.db2.gz YMALREWUHGVQBG-UHFFFAOYSA-N 0 0 171.240 1.490 10 0 ADAERN CC[C@H]1COc2cnc(C=O)cc21 238319563 573257726 /nfs/dbraw/zinc/25/77/26/573257726.db2.gz FGRQLQHRJWIXIZ-ZETCQYMHSA-N 0 0 177.203 1.780 10 0 ADAERN CNC(=O)Nc1ccccc1N 116322585 573257728 /nfs/dbraw/zinc/25/77/28/573257728.db2.gz LKPWRIPYLFMKEA-UHFFFAOYSA-N 0 0 165.196 1.020 10 0 ADAERN CC[C@@H](O)C(=O)c1ccc(O)cc1 142335348 573257731 /nfs/dbraw/zinc/25/77/31/573257731.db2.gz DLFAJNGUGADLTK-SECBINFHSA-N 0 0 180.203 1.346 10 0 ADAERN CCc1cc2ncc(C)c(N)n2n1 238319278 573257750 /nfs/dbraw/zinc/25/77/50/573257750.db2.gz QDYSBCCDSSLENZ-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CCc1cc2ncccc2c(=O)[nH]1 238319412 573257756 /nfs/dbraw/zinc/25/77/56/573257756.db2.gz ZVQACBWIBAYGLF-UHFFFAOYSA-N 0 0 174.203 1.486 10 0 ADAERN O=C1N[C@H](C2CCCCC2)C[C@H]1CO 215116432 573257761 /nfs/dbraw/zinc/25/77/61/573257761.db2.gz HDICAVPDXYXTGO-UWVGGRQHSA-N 0 0 197.278 1.064 10 0 ADAERN CCc1cc2[nH]c(C)cc2c(=O)[nH]1 142351311 573257781 /nfs/dbraw/zinc/25/77/81/573257781.db2.gz RJUKIAXHASRYOV-UHFFFAOYSA-N 0 0 176.219 1.727 10 0 ADAERN Cc1c(O)c[nH]c2cc(=O)ccc1-2 257980653 573257786 /nfs/dbraw/zinc/25/77/86/573257786.db2.gz ZPSBZNFWYNJJPF-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN Nc1cnoc1-c1ccccc1O 257981623 573257809 /nfs/dbraw/zinc/25/78/09/573257809.db2.gz ZUTLVSLJOOBWDP-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN COc1cc(C2(O)CC2)c(O)cc1C 257981675 573257833 /nfs/dbraw/zinc/25/78/33/573257833.db2.gz DUUCJZVNEUHDOD-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CN[C@]1(C)OC(=O)c2ccccc21 238318995 573257842 /nfs/dbraw/zinc/25/78/42/573257842.db2.gz VLZQJEOLCYRDFZ-SNVBAGLBSA-N 0 0 177.203 1.249 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[NH2+]CC1CC=CC1 717302805 573257844 /nfs/dbraw/zinc/25/78/44/573257844.db2.gz FDDXCCBTZSHDBM-ZJUUUORDSA-N 0 0 195.262 1.405 10 0 ADAERN O=Cc1onc2c(F)cccc12 258614185 573257882 /nfs/dbraw/zinc/25/78/82/573257882.db2.gz WDCKOBPCBOKYJU-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN CSCC[C@@H](CO)NC(C)=S 238421856 573257883 /nfs/dbraw/zinc/25/78/83/573257883.db2.gz ZVEYCMHNFAIIPG-ZETCQYMHSA-N 0 0 193.337 1.037 10 0 ADAERN O=C(CCCO)Nc1ccsc1 86086779 573257887 /nfs/dbraw/zinc/25/78/87/573257887.db2.gz HVKJMVDBYDOMNT-UHFFFAOYSA-N 0 0 185.248 1.459 10 0 ADAERN CC(C)(C)Oc1nc(F)cnc1C=O 116289530 573257889 /nfs/dbraw/zinc/25/78/89/573257889.db2.gz CVNUYJWYPPRVPQ-UHFFFAOYSA-N 0 0 198.197 1.606 10 0 ADAERN Cc1ccc(C(C)(C)CO)c(O)c1 257980832 573257893 /nfs/dbraw/zinc/25/78/93/573257893.db2.gz JPVWWGJEALMLAU-UHFFFAOYSA-N 0 0 180.247 1.971 10 0 ADAERN O=C(CCCO)Nc1cccc(O)c1 86085689 573257905 /nfs/dbraw/zinc/25/79/05/573257905.db2.gz FXBAJNNKYXXTMG-UHFFFAOYSA-N 0 0 195.218 1.103 10 0 ADAERN O=c1ccn(CC2CC2)cc1 123918589 573257910 /nfs/dbraw/zinc/25/79/10/573257910.db2.gz RDURKHLMCIUYPX-UHFFFAOYSA-N 0 0 149.193 1.258 10 0 ADAERN CC[C@H]1Nc2nonc2N=C[C@H]1C 238318926 573257925 /nfs/dbraw/zinc/25/79/25/573257925.db2.gz JZQHOXFQMWDEKX-PHDIDXHHSA-N 0 0 180.211 1.612 10 0 ADAERN C[C@@H](O)CCCn1ccc(C=O)c1 308329056 573257930 /nfs/dbraw/zinc/25/79/30/573257930.db2.gz JFZHXQZUTQFBCE-SECBINFHSA-N 0 0 181.235 1.462 10 0 ADAERN O=C1C[C@H](C2CCCC2)[C@H](CCO)N1 215117117 573257954 /nfs/dbraw/zinc/25/79/54/573257954.db2.gz XVIOEAMLJKBTCN-ZJUUUORDSA-N 0 0 197.278 1.064 10 0 ADAERN CCc1cc2nc(C)nc(NC)n2n1 238319053 573257969 /nfs/dbraw/zinc/25/79/69/573257969.db2.gz KWNBAYMRYAFTOT-UHFFFAOYSA-N 0 0 191.238 1.037 10 0 ADAERN Cc1ccc2oc(CN(C)O)nc2c1 82890703 573257975 /nfs/dbraw/zinc/25/79/75/573257975.db2.gz IEJOIHVYKGXQIZ-UHFFFAOYSA-N 0 0 192.218 1.957 10 0 ADAERN CC[C@H](C)C[C@]1(C)NC(=O)NC1=O 238319269 573257983 /nfs/dbraw/zinc/25/79/83/573257983.db2.gz PAAUQZYVVZQFOB-RCOVLWMOSA-N 0 0 184.239 1.021 10 0 ADAERN CC(C)C[C@@H]1CSCC(=O)N1 257980748 573257989 /nfs/dbraw/zinc/25/79/89/573257989.db2.gz ZRJQSMHEMAPGCK-SSDOTTSWSA-N 0 0 173.281 1.264 10 0 ADAERN CCONC(=O)C1CCC(C)CC1 116291748 573258006 /nfs/dbraw/zinc/25/80/06/573258006.db2.gz LQWLJYVOIMAMFX-UHFFFAOYSA-N 0 0 185.267 1.880 10 0 ADAERN Cc1cc(O)cc(CCON)c1F 257981701 573258013 /nfs/dbraw/zinc/25/80/13/573258013.db2.gz DVABPYWVUSLLPD-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN Fc1ccc(-n2cncn2)c(F)c1 116314631 573258021 /nfs/dbraw/zinc/25/80/21/573258021.db2.gz IBNUNAUYUOQRFS-UHFFFAOYSA-N 0 0 181.145 1.546 10 0 ADAERN CONCCCCCn1cccn1 308329326 573258024 /nfs/dbraw/zinc/25/80/24/573258024.db2.gz HYPKFMSMCXPOAO-UHFFFAOYSA-N 0 0 183.255 1.204 10 0 ADAERN NOCCc1cccc(OC2CC2)c1 257981460 573258025 /nfs/dbraw/zinc/25/80/25/573258025.db2.gz DRZMQNIJZSJHMP-UHFFFAOYSA-N 0 0 193.246 1.661 10 0 ADAERN CC[C@]1(C)NC(=O)[C@H]2CCCC[C@@H]2O1 238318996 573258034 /nfs/dbraw/zinc/25/80/34/573258034.db2.gz YFHQPEMAELJTNV-ATZCPNFKSA-N 0 0 197.278 1.818 10 0 ADAERN OCc1cnc(-c2ccccc2O)o1 257979952 573258035 /nfs/dbraw/zinc/25/80/35/573258035.db2.gz HKNWNLWUJFNVTR-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CC[C@H]1COc2cnc(CO)cc21 238319573 573258038 /nfs/dbraw/zinc/25/80/38/573258038.db2.gz UYDMMFOCNUPKDY-ZETCQYMHSA-N 0 0 179.219 1.460 10 0 ADAERN COC[C@H](OC(=O)C(F)F)C1CC1 308329554 573258053 /nfs/dbraw/zinc/25/80/53/573258053.db2.gz IBMTVKOHMONGRD-LURJTMIESA-N 0 0 194.177 1.220 10 0 ADAERN CC/C=C\C(=O)N(C)CC[C@H](C)O 308329540 573258077 /nfs/dbraw/zinc/25/80/77/573258077.db2.gz IASMIUWHDGQBHC-UDIARPCQSA-N 0 0 185.267 1.182 10 0 ADAERN CC[C@H]1Oc2ccccc2CNC1=O 238319402 573258078 /nfs/dbraw/zinc/25/80/78/573258078.db2.gz UREXLYSSWKQAMO-SECBINFHSA-N 0 0 191.230 1.474 10 0 ADAERN CO[C@@H](CO)c1ccccc1F 258613725 573258082 /nfs/dbraw/zinc/25/80/82/573258082.db2.gz WBGQPVIWBHTRRA-VIFPVBQESA-N 0 0 170.183 1.506 10 0 ADAERN CC(C)[C@H]1CCCC[C@@]1([NH3+])C(=O)[O-] 116319378 573258087 /nfs/dbraw/zinc/25/80/87/573258087.db2.gz QLVXDMJEWDAABN-SCZZXKLOSA-N 0 0 185.267 1.615 10 0 ADAERN COC(=O)C1=CCCn2cccc21 222970395 573258089 /nfs/dbraw/zinc/25/80/89/573258089.db2.gz OROIWCANCHJFSL-UHFFFAOYSA-N 0 0 177.203 1.448 10 0 ADAERN Oc1cc(-n2cnnc2)ccc1Cl 82888575 573259816 /nfs/dbraw/zinc/25/98/16/573259816.db2.gz BYNCDAWVUBDLAM-UHFFFAOYSA-N 0 0 195.609 1.626 10 0 ADAERN COC(C)(C)/C=C/[C@@H](C)O 238326696 573259869 /nfs/dbraw/zinc/25/98/69/573259869.db2.gz SCHZEPJDVDENMB-WEWAHIQMSA-N 0 0 144.214 1.348 10 0 ADAERN Nc1ccc2oc(CCCO)nc2c1 86085398 573259872 /nfs/dbraw/zinc/25/98/72/573259872.db2.gz RPDHHYZMLUTIOJ-UHFFFAOYSA-N 0 0 192.218 1.335 10 0 ADAERN CCC[C@H]([NH2+]C)C1(C(=O)[O-])CC1 259399195 573259901 /nfs/dbraw/zinc/25/99/01/573259901.db2.gz MPJKPGLIIIJEIL-ZETCQYMHSA-N 0 0 171.240 1.239 10 0 ADAERN Nc1ccccc1N1CC=CC1 116295047 573259914 /nfs/dbraw/zinc/25/99/14/573259914.db2.gz UQOIPFBKOLIVGX-UHFFFAOYSA-N 0 0 160.220 1.645 10 0 ADAERN C[C@H]1Cc2nc(N)sc2[C@H](C)O1 116323414 573259919 /nfs/dbraw/zinc/25/99/19/573259919.db2.gz UFYIWZHJBCLUKF-WHFBIAKZSA-N 0 0 184.264 1.748 10 0 ADAERN Nc1nc2scc(C3CCC3)n2n1 259061453 573259921 /nfs/dbraw/zinc/25/99/21/573259921.db2.gz DREUXCGFDIYICA-UHFFFAOYSA-N 0 0 194.263 1.641 10 0 ADAERN O=c1nccc(C2CCOCC2)[nH]1 259061364 573259929 /nfs/dbraw/zinc/25/99/29/573259929.db2.gz KCICRYHKNWUPSE-UHFFFAOYSA-N 0 0 180.207 1.076 10 0 ADAERN C[C@@H](O)/C=C/[C@@](C)(O)C(C)(C)C 142386671 573259932 /nfs/dbraw/zinc/25/99/32/573259932.db2.gz AMQQPUKKHUIMBQ-VKXIGREHSA-N 0 0 172.268 1.721 10 0 ADAERN CC(=O)Oc1cc(N)ccc1C 116267470 573259936 /nfs/dbraw/zinc/25/99/36/573259936.db2.gz LDCYUGVJPXIRCQ-UHFFFAOYSA-N 0 0 165.192 1.503 10 0 ADAERN O=CNc1ccnc(Cl)c1 116322099 573259945 /nfs/dbraw/zinc/25/99/45/573259945.db2.gz FUBNXHSCNKWXEC-UHFFFAOYSA-N 0 0 156.572 1.303 10 0 ADAERN OCCCc1nc2c(F)cccc2[nH]1 86085565 573259952 /nfs/dbraw/zinc/25/99/52/573259952.db2.gz MSDVYZWZPGWQRW-UHFFFAOYSA-N 0 0 194.209 1.627 10 0 ADAERN C[C@H]1Oc2ccc(N)cc2NC1=S 142338657 573259985 /nfs/dbraw/zinc/25/99/85/573259985.db2.gz RCQIRRLDADGBFY-RXMQYKEDSA-N 0 0 194.259 1.789 10 0 ADAERN CCCc1cnc(NCC(C)=O)nc1 259393975 573257679 /nfs/dbraw/zinc/25/76/79/573257679.db2.gz VBFCYSJLYVWDKG-UHFFFAOYSA-N 0 0 193.250 1.430 10 0 ADAERN CCC[C@@H]([NH2+]C)C1(C(=O)[O-])CC1 259399191 573261009 /nfs/dbraw/zinc/26/10/09/573261009.db2.gz MPJKPGLIIIJEIL-SSDOTTSWSA-N 0 0 171.240 1.239 10 0 ADAERN CCN(CCNc1ccccc1)OC 308531219 573261027 /nfs/dbraw/zinc/26/10/27/573261027.db2.gz KFNFWVWXARLKEO-UHFFFAOYSA-N 0 0 194.278 1.982 10 0 ADAERN COc1cc(CNO)cc(C)c1C 257982641 573261036 /nfs/dbraw/zinc/26/10/36/573261036.db2.gz JTKSMIMKIJVWFQ-UHFFFAOYSA-N 0 0 181.235 1.791 10 0 ADAERN CN(C)c1ccc(/C=C\CO)s1 211928269 573261039 /nfs/dbraw/zinc/26/10/39/573261039.db2.gz XVGRZYJRUVVXCN-ARJAWSKDSA-N 0 0 183.276 1.820 10 0 ADAERN COCN1CCc2ccccc21 258614369 573261070 /nfs/dbraw/zinc/26/10/70/573261070.db2.gz IWQYVXCGPOJBLF-UHFFFAOYSA-N 0 0 163.220 1.653 10 0 ADAERN C[C@H](CO)c1cccc(F)c1O 257984894 573261078 /nfs/dbraw/zinc/26/10/78/573261078.db2.gz KBGFVCNATNCBGV-ZCFIWIBFSA-N 0 0 170.183 1.627 10 0 ADAERN Cc1nc2cccc(CN(C)O)c2o1 82890859 573261082 /nfs/dbraw/zinc/26/10/82/573261082.db2.gz GJSDKCUNPYYXAV-UHFFFAOYSA-N 0 0 192.218 1.957 10 0 ADAERN CCC(=O)OC(F)(F)F 142315145 573261083 /nfs/dbraw/zinc/26/10/83/573261083.db2.gz MVAIAXFEIKTXMH-UHFFFAOYSA-N 0 0 142.076 1.459 10 0 ADAERN CC[N@H+](C/C=C/C(=O)[O-])CC(C)(C)C 308531023 573261140 /nfs/dbraw/zinc/26/11/40/573261140.db2.gz QRQPYXPXAPHTBT-VOTSOKGWSA-N 0 0 199.294 1.995 10 0 ADAERN ONCc1c(F)ccc2c1OCCO2 257982149 573261182 /nfs/dbraw/zinc/26/11/82/573261182.db2.gz ALTMVSSPILCYRV-UHFFFAOYSA-N 0 0 199.181 1.076 10 0 ADAERN CC(=O)NCN(C)c1ccccc1C 238326501 573261188 /nfs/dbraw/zinc/26/11/88/573261188.db2.gz KRPZUACBIHDPJW-UHFFFAOYSA-N 0 0 192.262 1.525 10 0 ADAERN COCC[C@H](C)C(=O)OCC(C)C 308332492 573261198 /nfs/dbraw/zinc/26/11/98/573261198.db2.gz JNDFOXXVXNKLKN-VIFPVBQESA-N 0 0 188.267 1.858 10 0 ADAERN C[C@H]1CC(=O)N(C2CCCC2)N1 258614173 573261200 /nfs/dbraw/zinc/26/12/00/573261200.db2.gz WCSMTMANBDBLIO-ZETCQYMHSA-N 0 0 168.240 1.054 10 0 ADAERN C[C@@H](O)CCc1nc2cccnc2[nH]1 86085536 573261216 /nfs/dbraw/zinc/26/12/16/573261216.db2.gz ANRQDSNJTYUOPI-SSDOTTSWSA-N 0 0 191.234 1.271 10 0 ADAERN C[C@H]1Cc2cc(C[C@@H](C)O)ccc2N1 258261329 573261225 /nfs/dbraw/zinc/26/12/25/573261225.db2.gz YJULIQYCOCUKFP-DTWKUNHWSA-N 0 0 191.274 1.966 10 0 ADAERN COC(=O)C1(C(=O)CC(C)C)CCC1 259058349 573261229 /nfs/dbraw/zinc/26/12/29/573261229.db2.gz FQSSKBZAXPNTFJ-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN OCc1ccc2ccc(CO)cc2c1 142348127 573261253 /nfs/dbraw/zinc/26/12/53/573261253.db2.gz NLFFHBZPBFTXDH-UHFFFAOYSA-N 0 0 188.226 1.824 10 0 ADAERN CC(C)C[C@@H](O)COc1cccnc1 257983473 573261281 /nfs/dbraw/zinc/26/12/81/573261281.db2.gz CSPYDLMALXJTQK-SNVBAGLBSA-N 0 0 195.262 1.867 10 0 ADAERN CC/C=C/C(=O)OCC(=O)C1CC1 308331595 573261285 /nfs/dbraw/zinc/26/12/85/573261285.db2.gz IZLYBAPLUBOVMB-ONEGZZNKSA-N 0 0 182.219 1.475 10 0 ADAERN Cc1cc(NC(=O)CC[C@H](C)O)no1 86086167 573261287 /nfs/dbraw/zinc/26/12/87/573261287.db2.gz VGSCQIWKVPPLKT-LURJTMIESA-N 0 0 198.222 1.083 10 0 ADAERN O=CNc1ccc(O)c(Cl)c1 82888577 573261298 /nfs/dbraw/zinc/26/12/98/573261298.db2.gz QRDBTSIOAFPMEL-UHFFFAOYSA-N 0 0 171.583 1.614 10 0 ADAERN CNC(=O)CCc1cc(C)ccc1O 238326767 573261299 /nfs/dbraw/zinc/26/12/99/573261299.db2.gz JMCOTOHQAFNUOG-UHFFFAOYSA-N 0 0 193.246 1.379 10 0 ADAERN COCc1ccc(O)cc1O 238326988 573261306 /nfs/dbraw/zinc/26/13/06/573261306.db2.gz LTTQDFHDJMZCTB-UHFFFAOYSA-N 0 0 154.165 1.244 10 0 ADAERN CC(=O)c1ccc(F)c2c1OCCO2 257984787 573261322 /nfs/dbraw/zinc/26/13/22/573261322.db2.gz FBALWOGGXMFYQN-UHFFFAOYSA-N 0 0 196.177 1.800 10 0 ADAERN COC(=S)S[C@H](C)C(C)=O 238326470 573261339 /nfs/dbraw/zinc/26/13/39/573261339.db2.gz YIFQKEDMYCHOGY-RXMQYKEDSA-N 0 0 178.278 1.628 10 0 ADAERN CO[C@@H]1CCC[C@]12CCC[C@@H]2CO 238326196 573261347 /nfs/dbraw/zinc/26/13/47/573261347.db2.gz DTOPRDVJCYKMRM-MXWKQRLJSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C1CC1)[C@H](C)C1CC1 308531589 573261389 /nfs/dbraw/zinc/26/13/89/573261389.db2.gz RVMCJZGICYAHKY-SFYZADRCSA-N 0 0 197.278 1.722 10 0 ADAERN C[C@H](O)CCc1nc2cc[nH]cc-2n1 86085547 573261396 /nfs/dbraw/zinc/26/13/96/573261396.db2.gz BLYKWFKGAGQDBS-ZETCQYMHSA-N 0 0 191.234 1.271 10 0 ADAERN CCc1cc(Cl)cc(C(N)=O)c1N 238326260 573261414 /nfs/dbraw/zinc/26/14/14/573261414.db2.gz FQXOHXJMJOCPME-UHFFFAOYSA-N 0 0 198.653 1.584 10 0 ADAERN COC(=O)[C@@H](CSC)C1CC1 258264354 573261436 /nfs/dbraw/zinc/26/14/36/573261436.db2.gz MLBTXCPRWBQUPQ-ZETCQYMHSA-N 0 0 174.265 1.549 10 0 ADAERN CN1CC[C@@H](c2ccccc2)NC1=O 238326943 573261446 /nfs/dbraw/zinc/26/14/46/573261446.db2.gz NKLFPUOEAGIVCW-JTQLQIEISA-N 0 0 190.246 1.773 10 0 ADAERN Nc1ccc(CCC[NH3+])cc1[S-] 259398418 573261468 /nfs/dbraw/zinc/26/14/68/573261468.db2.gz HPYVOLIXTBIUDI-UHFFFAOYSA-N 0 0 182.292 1.449 10 0 ADAERN COCCCN1CC(=O)CCC1(C)C 259397248 573261481 /nfs/dbraw/zinc/26/14/81/573261481.db2.gz MAULUPDOBAOGKK-UHFFFAOYSA-N 0 0 199.294 1.466 10 0 ADAERN CN1CC(=O)N=C1[C@@H]1CCCOC1 236062417 573261502 /nfs/dbraw/zinc/26/15/02/573261502.db2.gz JHGDCRNNTRUQCZ-SSDOTTSWSA-N 0 0 182.223 1.020 10 0 ADAERN CONCc1c(CF)cccc1OC 258275462 573269224 /nfs/dbraw/zinc/26/92/24/573269224.db2.gz ZPGORUKONIFAEX-UHFFFAOYSA-N 0 0 199.225 1.816 10 0 ADAERN COC[C@@H](O)c1ccccc1O 238328785 573269225 /nfs/dbraw/zinc/26/92/25/573269225.db2.gz PHRKBQSUEVWRIU-SECBINFHSA-N 0 0 168.192 1.072 10 0 ADAERN CNc1ncc(C(C)C)o1 258615264 573269264 /nfs/dbraw/zinc/26/92/64/573269264.db2.gz POORCOPUSOFVGS-UHFFFAOYSA-N 0 0 140.186 1.840 10 0 ADAERN CC(=O)c1cccc(O[C@H](C)CO)c1 308532817 573269276 /nfs/dbraw/zinc/26/92/76/573269276.db2.gz KOEGLXCMTMUHHT-MRVPVSSYSA-N 0 0 194.230 1.649 10 0 ADAERN CCC(=O)COC1CCOCC1 50181619 573269285 /nfs/dbraw/zinc/26/92/85/573269285.db2.gz AIGLAVDRDRXKGO-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN Cc1ccc(C2=N[C@H](C[NH3+])CO2)cc1 258272779 573270200 /nfs/dbraw/zinc/27/02/00/573270200.db2.gz RBVASTYWXNXDRU-SNVBAGLBSA-N 0 0 190.246 1.099 10 0 ADAERN Cn1cnnc1[C@H]1CC1(C)C 236074234 573270204 /nfs/dbraw/zinc/27/02/04/573270204.db2.gz XXHZFJUXELGLKW-ZCFIWIBFSA-N 0 0 151.213 1.329 10 0 ADAERN C[C@@H](O)C(F)(F)C1CC1 257986673 573270214 /nfs/dbraw/zinc/27/02/14/573270214.db2.gz BLGARNCGSXQMIQ-SCSAIBSYSA-N 0 0 136.141 1.413 10 0 ADAERN CCC1=N[C@@H]2CC[C@H](O)C[C@H]2S1 257986320 573270221 /nfs/dbraw/zinc/27/02/21/573270221.db2.gz NWMLHQOCRULCBL-XLPZGREQSA-N 0 0 185.292 1.824 10 0 ADAERN COC(C)(C)COCCC(C)=O 393580034 573270253 /nfs/dbraw/zinc/27/02/53/573270253.db2.gz DOALJQJNMMRBIA-UHFFFAOYSA-N 0 0 174.240 1.407 10 0 ADAERN COC[C@@H]1C=C[C@H]2CC(=O)C[C@@H]12 238329771 573270275 /nfs/dbraw/zinc/27/02/75/573270275.db2.gz ZEAGRIHWYBVJIJ-OYNCUSHFSA-N 0 0 166.220 1.414 10 0 ADAERN O=C(CC[C@@H]1CCCO1)c1cn[nH]c1 308532172 573270276 /nfs/dbraw/zinc/27/02/76/573270276.db2.gz LEZONMCAFXBJQO-VIFPVBQESA-N 0 0 194.234 1.552 10 0 ADAERN C[C@@H]1CC(=O)Nc2c(F)cccc2N1 86158801 573270295 /nfs/dbraw/zinc/27/02/95/573270295.db2.gz XCYKGABJSFHMIM-ZCFIWIBFSA-N 0 0 194.209 1.968 10 0 ADAERN Cc1[nH]c2[nH]c(=O)ccc2c1C 257986722 573270316 /nfs/dbraw/zinc/27/03/16/573270316.db2.gz BLPNPBAMCPAEAT-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN CN1Cc2ccccc2NCC1=O 142449904 573270349 /nfs/dbraw/zinc/27/03/49/573270349.db2.gz XPHNMBZHUMMDQR-UHFFFAOYSA-N 0 0 176.219 1.071 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](c2cscn2)[NH2+]1 74238088 573270377 /nfs/dbraw/zinc/27/03/77/573270377.db2.gz NKEMLYYZSVHMBE-PHDIDXHHSA-N 0 0 198.247 1.021 10 0 ADAERN CO[C@@H]1CCc2c([nH]c(C)cc2=O)C1 238329585 573270386 /nfs/dbraw/zinc/27/03/86/573270386.db2.gz YAGBCKQNSRSMPT-MRVPVSSYSA-N 0 0 193.246 1.187 10 0 ADAERN CCc1nc(C)c(CC(C)C)[nH]c1=O 238330050 573270392 /nfs/dbraw/zinc/27/03/92/573270392.db2.gz YGIYEQAXLNNWEL-UHFFFAOYSA-N 0 0 194.278 1.839 10 0 ADAERN CC(=O)C[C@@H]1CNc2cccc(O)c21 258271634 573270401 /nfs/dbraw/zinc/27/04/01/573270401.db2.gz YZPGBZNDRNFWRR-MRVPVSSYSA-N 0 0 191.230 1.880 10 0 ADAERN CCN1CC(=O)Nc2c(F)cccc21 86159311 573270416 /nfs/dbraw/zinc/27/04/16/573270416.db2.gz GWRLMKMLKDWTGW-UHFFFAOYSA-N 0 0 194.209 1.604 10 0 ADAERN CO[C@@H]1C[C@@H]1c1noc(N)c1C(C)C 689941433 573270426 /nfs/dbraw/zinc/27/04/26/573270426.db2.gz NHYINOBWCJJOIA-NKWVEPMBSA-N 0 0 196.250 1.883 10 0 ADAERN COc1cccc2c1N[C@@](C)(CO)C2 258271117 573270440 /nfs/dbraw/zinc/27/04/40/573270440.db2.gz SPKUNSHMEWDIRN-LLVKDONJSA-N 0 0 193.246 1.414 10 0 ADAERN COc1cc(N)c2c(c1)C(=O)CCN2 142421042 573270445 /nfs/dbraw/zinc/27/04/45/573270445.db2.gz SKRHLDQTZHIWIX-UHFFFAOYSA-N 0 0 192.218 1.276 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)NCC(F)F 393579821 573270459 /nfs/dbraw/zinc/27/04/59/573270459.db2.gz FXOLMFVRYQEPHS-RITPCOANSA-N 0 0 192.209 1.207 10 0 ADAERN CCC(=O)CN(C)Cc1cccnc1 50180296 573270462 /nfs/dbraw/zinc/27/04/62/573270462.db2.gz YXCHIBQYQZBZAI-UHFFFAOYSA-N 0 0 192.262 1.493 10 0 ADAERN C[C@@]12CC[C@H](O)C[C@@H]1CCCC2=O 142492324 573270689 /nfs/dbraw/zinc/27/06/89/573270689.db2.gz AQICJZJJNASFSN-ATZCPNFKSA-N 0 0 182.263 1.907 10 0 ADAERN Cc1ccccc1C[C@@]1(C)[NH2+]CCO1 258275707 573270696 /nfs/dbraw/zinc/27/06/96/573270696.db2.gz BLFWUPXTRUAZMB-LBPRGKRZSA-N 0 0 191.274 1.874 10 0 ADAERN CCc1ccc(/C=C\CO)o1 211936649 573270726 /nfs/dbraw/zinc/27/07/26/573270726.db2.gz DTTRBCYRGHUXFS-ARJAWSKDSA-N 0 0 152.193 1.848 10 0 ADAERN C[C@@H]1C(=O)Nc2cc(F)ccc2N1C 86159013 573270730 /nfs/dbraw/zinc/27/07/30/573270730.db2.gz YCFKQBWOVABYPV-ZCFIWIBFSA-N 0 0 194.209 1.603 10 0 ADAERN COC(=O)[C@H]1CC[C@H](C)[C@@H](C(C)C)N1 238329404 573270731 /nfs/dbraw/zinc/27/07/31/573270731.db2.gz YJGQKRUUJJNNGS-IVZWLZJFSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1ccc2c(c1)O[C@H](CCO)C2 258269517 573270748 /nfs/dbraw/zinc/27/07/48/573270748.db2.gz YXZTZQJHHBWQPE-SNVBAGLBSA-N 0 0 178.231 1.681 10 0 ADAERN CCC(=O)CN1CCO[C@@H](CC)C1 50179808 573270764 /nfs/dbraw/zinc/27/07/64/573270764.db2.gz AXCRNHGLBYLUEL-JTQLQIEISA-N 0 0 185.267 1.076 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](c2cscn2)[NH2+]1 74238086 573270779 /nfs/dbraw/zinc/27/07/79/573270779.db2.gz NKEMLYYZSVHMBE-NTSWFWBYSA-N 0 0 198.247 1.021 10 0 ADAERN CCC(=O)CN(C)CC(F)(F)F 50179870 573270840 /nfs/dbraw/zinc/27/08/40/573270840.db2.gz AUPLBQTVVDOUHL-UHFFFAOYSA-N 0 0 183.173 1.460 10 0 ADAERN C[C@H]1CCO[C@@H]1c1nnc(N)s1 123945945 573270856 /nfs/dbraw/zinc/27/08/56/573270856.db2.gz IHUZHOHZNKZBSL-WHFBIAKZSA-N 0 0 185.252 1.218 10 0 ADAERN CCC(=O)CN(CCOC)C1CC1 50179994 573270862 /nfs/dbraw/zinc/27/08/62/573270862.db2.gz VGZFNOOKEZBKNE-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN CC[C@@H]1Nc2ccc(F)cc2NC1=O 86158862 573270868 /nfs/dbraw/zinc/27/08/68/573270868.db2.gz CDVZSGBUJGMLPY-ZETCQYMHSA-N 0 0 194.209 1.968 10 0 ADAERN C[C@@H](O)c1c(F)ccc2c1OCC2 257986937 573270871 /nfs/dbraw/zinc/27/08/71/573270871.db2.gz FDEVCLDQGKCGKI-ZCFIWIBFSA-N 0 0 182.194 1.814 10 0 ADAERN CCC[C@@H](NN)[C@]1(C)CCCO1 129255024 573270877 /nfs/dbraw/zinc/27/08/77/573270877.db2.gz MBBJKQIXQNEEJA-BDAKNGLRSA-N 0 0 172.272 1.188 10 0 ADAERN CCC[C@@H]1CCN[C@](C)(C(=O)OC)C1 258615551 573270889 /nfs/dbraw/zinc/27/08/89/573270889.db2.gz UIETVGHVMTULLU-KOLCDFICSA-N 0 0 199.294 1.718 10 0 ADAERN C/C=C\C[NH2+]CCC[C@@H](C)C(=O)[O-] 308337877 573270917 /nfs/dbraw/zinc/27/09/17/573270917.db2.gz OZQDEQGQMZRPGA-ZBJFTSOASA-N 0 0 185.267 1.653 10 0 ADAERN Cc1cc(-c2cc(N)on2)ccc1O 257986999 573270980 /nfs/dbraw/zinc/27/09/80/573270980.db2.gz FFFDTPQKJQGRSG-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN COC[C@@H]1C=C[C@H]2C(=O)C[C@H]12 238329756 573271015 /nfs/dbraw/zinc/27/10/15/573271015.db2.gz KUIDHVKCCMSXCW-XLPZGREQSA-N 0 0 152.193 1.024 10 0 ADAERN CC(=O)Cc1cnc([C@@H]2CCC[NH2+]2)o1 258273070 573271034 /nfs/dbraw/zinc/27/10/34/573271034.db2.gz XXPUZODIJODCJH-VIFPVBQESA-N 0 0 194.234 1.231 10 0 ADAERN C[C@@H]1CCn2c(c[nH]c2=O)C1 258617321 573271037 /nfs/dbraw/zinc/27/10/37/573271037.db2.gz WKDZJMWHMYEDOD-ZCFIWIBFSA-N 0 0 152.197 1.171 10 0 ADAERN Fc1ccc(F)o1 142432792 573271045 /nfs/dbraw/zinc/27/10/45/573271045.db2.gz MUEKPPVSPLGVRJ-UHFFFAOYSA-N 0 0 104.055 1.558 10 0 ADAERN COc1cccn2c(C3CC3)nnc12 258271955 573271046 /nfs/dbraw/zinc/27/10/46/573271046.db2.gz NFIVMMBAJKZMGG-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN CC(C)=C1C[C@@H]2C(=O)N(C)C(=O)[C@H]2C1 142487302 573272833 /nfs/dbraw/zinc/27/28/33/573272833.db2.gz YZUGWVNHVJNHAS-IUCAKERBSA-N 0 0 193.246 1.348 10 0 ADAERN C[C@H](CO)CCOC(=O)C(C)(C)C 238431168 573272865 /nfs/dbraw/zinc/27/28/65/573272865.db2.gz JSSTXUIZDPNOKO-QMMMGPOBSA-N 0 0 188.267 1.594 10 0 ADAERN COC(=O)[C@@H]1CC(=O)[C@H](C)[C@@H]1C 238329175 573272915 /nfs/dbraw/zinc/27/29/15/573272915.db2.gz SRGUCPXCWOGIPL-RRKCRQDMSA-N 0 0 170.208 1.021 10 0 ADAERN CC(C)N1C(=O)CN(C(C)(C)C)C1=O 86137666 573272929 /nfs/dbraw/zinc/27/29/29/573272929.db2.gz CEERPKCEHJKRQT-UHFFFAOYSA-N 0 0 198.266 1.458 10 0 ADAERN CC(C)(C)N1CC(=O)N(C2CC2)C1=O 86137671 573272936 /nfs/dbraw/zinc/27/29/36/573272936.db2.gz MAMHFPKTPXZLAZ-UHFFFAOYSA-N 0 0 196.250 1.212 10 0 ADAERN CCCSC(=N)NC(=O)N(C)C 142469845 573272943 /nfs/dbraw/zinc/27/29/43/573272943.db2.gz SBFRHIMAQZMKQW-UHFFFAOYSA-N 0 0 189.284 1.336 10 0 ADAERN CNc1oc2ccccc2c(=O)c1O 238329276 573272971 /nfs/dbraw/zinc/27/29/71/573272971.db2.gz SHEWUCPFEZZZCQ-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN Cc1noc2cc(CCON)ccc12 257986934 573272976 /nfs/dbraw/zinc/27/29/76/573272976.db2.gz FDEUYOIOMAUNRL-UHFFFAOYSA-N 0 0 192.218 1.569 10 0 ADAERN O=C1CCCN1[C@@H](O)C1CCCCC1 142472230 573272990 /nfs/dbraw/zinc/27/29/90/573272990.db2.gz NGSVHHYURWRWMG-NSHDSACASA-N 0 0 197.278 1.508 10 0 ADAERN CO[C@H]1C[C@H]1c1noc(N)c1C(C)C 689941437 573273009 /nfs/dbraw/zinc/27/30/09/573273009.db2.gz NHYINOBWCJJOIA-RQJHMYQMSA-N 0 0 196.250 1.883 10 0 ADAERN c1nocc1O[C@H]1CCCOC1 258275688 573273046 /nfs/dbraw/zinc/27/30/46/573273046.db2.gz BKDXJYBBFRQYFZ-ZETCQYMHSA-N 0 0 169.180 1.232 10 0 ADAERN CNc1cc(O)cc(OC)c1 238329752 573273057 /nfs/dbraw/zinc/27/30/57/573273057.db2.gz JMQNXCYTXRNKQV-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN OCc1coc(CC2CCOCC2)n1 258270951 573273070 /nfs/dbraw/zinc/27/30/70/573273070.db2.gz XVJKLOAFTSCDDV-UHFFFAOYSA-N 0 0 197.234 1.136 10 0 ADAERN c1c[nH]c(=NN2CCCCC2)cn1 105663234 573273083 /nfs/dbraw/zinc/27/30/83/573273083.db2.gz WLLZDCVOUGAHAH-UHFFFAOYSA-N 0 0 178.239 1.289 10 0 ADAERN CCC(=O)COC[C@H]1CCCCO1 50181153 573273101 /nfs/dbraw/zinc/27/31/01/573273101.db2.gz KVTQXNCBKZOGJI-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN Cc1cccc2c1C[C@@H](CCO)O2 258273732 573273116 /nfs/dbraw/zinc/27/31/16/573273116.db2.gz SSHBKDXFSAUNLF-SECBINFHSA-N 0 0 178.231 1.681 10 0 ADAERN CNc1cc(F)c(OC)cn1 238328925 573273125 /nfs/dbraw/zinc/27/31/25/573273125.db2.gz OKFISGOMTKNDPJ-UHFFFAOYSA-N 0 0 156.160 1.271 10 0 ADAERN CC(C)(CC1=CC[NH2+]CC1)C(=O)[O-] 258269548 573273182 /nfs/dbraw/zinc/27/31/82/573273182.db2.gz YYBRKVFHYVNKJQ-UHFFFAOYSA-N 0 0 183.251 1.407 10 0 ADAERN CC[N@@H+]1CCCC[C@@H]1/C=C\CC(=O)[O-] 258271333 573273211 /nfs/dbraw/zinc/27/32/11/573273211.db2.gz RWWXBNWZQZARAA-ONRRBMGISA-N 0 0 197.278 1.892 10 0 ADAERN CCc1cc(F)cc(CON)c1 238329658 573273219 /nfs/dbraw/zinc/27/32/19/573273219.db2.gz KTSDEFBRZTXULF-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN CSc1ncc(CN(C)O)c(C)n1 82912060 573273228 /nfs/dbraw/zinc/27/32/28/573273228.db2.gz UQBKGCYOVHFYTK-UHFFFAOYSA-N 0 0 199.279 1.328 10 0 ADAERN Cc1cccc(Cn2nccc2C)n1 86136683 573273234 /nfs/dbraw/zinc/27/32/34/573273234.db2.gz ROYTYKLQTSLOKB-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN CO[C@@H]1CC[C@H](CO)[C@@H](C)C1 238328645 573273237 /nfs/dbraw/zinc/27/32/37/573273237.db2.gz BKQITJXXNBWKAC-DJLDLDEBSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@@]1(Cc2ccc(O)cc2)[NH2+]CCO1 258275656 573273245 /nfs/dbraw/zinc/27/32/45/573273245.db2.gz BJIGRFZVTATUJH-LLVKDONJSA-N 0 0 193.246 1.271 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)N[C@@H]1CCCO 215121329 573273252 /nfs/dbraw/zinc/27/32/52/573273252.db2.gz CACWCVBLILOKSM-RKDXNWHRSA-N 0 0 199.294 1.310 10 0 ADAERN CO[C@@H]1CCc2ccc(CO)cc21 238329688 573273254 /nfs/dbraw/zinc/27/32/54/573273254.db2.gz ZMLWBPQEFWGCNR-LLVKDONJSA-N 0 0 178.231 1.813 10 0 ADAERN C[C@@H](O)Cc1coc(-c2ccco2)n1 258275004 573273257 /nfs/dbraw/zinc/27/32/57/573273257.db2.gz YBSRCJOAHBAJLV-SSDOTTSWSA-N 0 0 193.202 1.858 10 0 ADAERN COc1cccc2c1N[C@](C)(CO)C2 258271121 573273266 /nfs/dbraw/zinc/27/32/66/573273266.db2.gz SPKUNSHMEWDIRN-NSHDSACASA-N 0 0 193.246 1.414 10 0 ADAERN CN1CC(=O)Nc2cnc(Cl)cc21 238328795 573273286 /nfs/dbraw/zinc/27/32/86/573273286.db2.gz RVRXECGVHAQOJN-UHFFFAOYSA-N 0 0 197.625 1.123 10 0 ADAERN C[C@H]1C[NH2+][C@@](C)(c2ccncc2)OC1 258269024 573273293 /nfs/dbraw/zinc/27/32/93/573273293.db2.gz BEVJZEUNPCOPON-GXSJLCMTSA-N 0 0 192.262 1.510 10 0 ADAERN CO[C@@H]1CC[C@](C)(C(C)=O)O1 238329416 573273295 /nfs/dbraw/zinc/27/32/95/573273295.db2.gz RZHQFRXLPMOJLO-JGVFFNPUSA-N 0 0 158.197 1.117 10 0 ADAERN COC(=O)CNC[C@@H]1CCCC[C@H]1C 42863293 573273298 /nfs/dbraw/zinc/27/32/98/573273298.db2.gz YOYAZGOJSFGGPY-ZJUUUORDSA-N 0 0 199.294 1.575 10 0 ADAERN COC[C@@H](O)c1cc2ccccc2[nH]1 238328848 573273305 /nfs/dbraw/zinc/27/33/05/573273305.db2.gz HUGQUKPIXGHOKM-LLVKDONJSA-N 0 0 191.230 1.848 10 0 ADAERN CO[C@@H](c1ccccc1)N(C)C 259063080 573273323 /nfs/dbraw/zinc/27/33/23/573273323.db2.gz CVPXTONMCNSYGG-JTQLQIEISA-N 0 0 165.236 1.893 10 0 ADAERN O=Cc1cc(F)ccc1CC1(O)CC1 257989320 573273334 /nfs/dbraw/zinc/27/33/34/573273334.db2.gz FKGPAJZKYRLVDJ-UHFFFAOYSA-N 0 0 194.205 1.706 10 0 ADAERN CC[C@@H]1Nc2cccc(F)c2NC1=O 86158854 573273350 /nfs/dbraw/zinc/27/33/50/573273350.db2.gz MCKXKZNFLMQYEV-ZETCQYMHSA-N 0 0 194.209 1.968 10 0 ADAERN Cc1ccnc2c1nc(N)n2C1CC1 86160514 573275441 /nfs/dbraw/zinc/27/54/41/573275441.db2.gz KXLVBASMITUCQB-UHFFFAOYSA-N 0 0 188.234 1.657 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)Cc1ccccc1 690032609 573275458 /nfs/dbraw/zinc/27/54/58/573275458.db2.gz PCOYANDDSJDGHB-GRYCIOLGSA-N 0 0 192.258 1.625 10 0 ADAERN Cc1cc(C)c2c(c1)N(C)[C@@H](O)N2C 238330878 573275482 /nfs/dbraw/zinc/27/54/82/573275482.db2.gz DVHPZFFTADFXCN-LLVKDONJSA-N 0 0 192.262 1.465 10 0 ADAERN Cc1cnc2c(c1)NC(=O)CCN2 86160804 573275501 /nfs/dbraw/zinc/27/55/01/573275501.db2.gz CDZVEBAJNAHXTQ-UHFFFAOYSA-N 0 0 177.207 1.144 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](c2ccsc2)C[NH2+]1 74239702 573275748 /nfs/dbraw/zinc/27/57/48/573275748.db2.gz OVKRPUKUZQNNIM-HTQZYQBOSA-N 0 0 197.259 1.278 10 0 ADAERN CC[C@H](C)[C@H](O)C[C@@H](C)O 142498286 573275776 /nfs/dbraw/zinc/27/57/76/573275776.db2.gz FNWJZNQLNMUDGE-XLPZGREQSA-N 0 0 146.230 1.164 10 0 ADAERN CCC[C@@](O)(c1cncnc1)C1CC1 308537357 573275798 /nfs/dbraw/zinc/27/57/98/573275798.db2.gz LSCIXLFQGHSURZ-NSHDSACASA-N 0 0 192.262 1.874 10 0 ADAERN CC[C@H](O)COC[C@@H]1CCCCO1 50182188 573275808 /nfs/dbraw/zinc/27/58/08/573275808.db2.gz UBIVNRARQNFMTD-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN Cn1ccnc1Cc1ccoc1C=O 236075677 573275822 /nfs/dbraw/zinc/27/58/22/573275822.db2.gz BMNHFNNLUQLEPW-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CC(C)CCCN[C@@H]1C[C@@H](C)OC1=O 308536630 573275825 /nfs/dbraw/zinc/27/58/25/573275825.db2.gz SRBFFTXJUYCSSF-NXEZZACHSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@H](c1ccccc1)N(C)C 259063083 573275838 /nfs/dbraw/zinc/27/58/38/573275838.db2.gz CVPXTONMCNSYGG-SNVBAGLBSA-N 0 0 165.236 1.893 10 0 ADAERN Cc1ccnc2c1NC(=O)CCN2C 86160647 573275847 /nfs/dbraw/zinc/27/58/47/573275847.db2.gz PMKCZPGVEJHBCH-UHFFFAOYSA-N 0 0 191.234 1.168 10 0 ADAERN COCCC1=C(C)CCC[C@@H]1O 238330640 573275858 /nfs/dbraw/zinc/27/58/58/573275858.db2.gz AOVQKYFPMDGNIZ-JTQLQIEISA-N 0 0 170.252 1.884 10 0 ADAERN CC[C@@H]1CNc2ncccc2NC1=O 86160195 573275860 /nfs/dbraw/zinc/27/58/60/573275860.db2.gz GILGCRNFKZIIKB-SSDOTTSWSA-N 0 0 191.234 1.472 10 0 ADAERN CCN1N=C2CCCC2C1=O 116396842 573275871 /nfs/dbraw/zinc/27/58/71/573275871.db2.gz TWTGYNPPCIHDIA-UHFFFAOYSA-N 0 0 152.197 1.097 10 0 ADAERN O=C1Nc2cccnc2N[C@@H]1C1CC1 86160182 573275873 /nfs/dbraw/zinc/27/58/73/573275873.db2.gz YWGNTXZCJOKLAR-MRVPVSSYSA-N 0 0 189.218 1.224 10 0 ADAERN Cn1cnc([C@@H](O)c2cccs2)c1 236100054 573275889 /nfs/dbraw/zinc/27/58/89/573275889.db2.gz HHZLOBUAOBJAFZ-SECBINFHSA-N 0 0 194.259 1.563 10 0 ADAERN CCN1CC(=O)Nc2cc(C)cnc21 86160859 573275910 /nfs/dbraw/zinc/27/59/10/573275910.db2.gz VZLPHNRTUZXNSU-UHFFFAOYSA-N 0 0 191.234 1.168 10 0 ADAERN Cc1cnc2c(c1)NC(=O)[C@@H](C)N2C 86160831 573275927 /nfs/dbraw/zinc/27/59/27/573275927.db2.gz DXMQRYGQVDAETJ-SSDOTTSWSA-N 0 0 191.234 1.167 10 0 ADAERN CC(C)CCCN[C@H]1C[C@H](C)OC1=O 308536631 573275937 /nfs/dbraw/zinc/27/59/37/573275937.db2.gz SRBFFTXJUYCSSF-UWVGGRQHSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)Cn1c(N)nc2cccnc21 86159979 573275948 /nfs/dbraw/zinc/27/59/48/573275948.db2.gz GYUCGMNNOGMMPR-UHFFFAOYSA-N 0 0 190.250 1.670 10 0 ADAERN CCCCn1c(N)nc2cnccc21 86159547 573275958 /nfs/dbraw/zinc/27/59/58/573275958.db2.gz PIUHIAWONYALBC-UHFFFAOYSA-N 0 0 190.250 1.814 10 0 ADAERN OCCc1nc([C@H]2CCSC2)co1 257990396 573275968 /nfs/dbraw/zinc/27/59/68/573275968.db2.gz FJMUJWCSGNNNKF-ZETCQYMHSA-N 0 0 199.275 1.430 10 0 ADAERN CC[C@@H]1Nc2nccc(C)c2NC1=O 86160604 573275972 /nfs/dbraw/zinc/27/59/72/573275972.db2.gz OHXJCNFVYXVAQQ-ZETCQYMHSA-N 0 0 191.234 1.533 10 0 ADAERN OCCc1nc([C@@H]2CCSC2)co1 257990393 573275977 /nfs/dbraw/zinc/27/59/77/573275977.db2.gz FJMUJWCSGNNNKF-SSDOTTSWSA-N 0 0 199.275 1.430 10 0 ADAERN CN(C)c1ccc2c(c1)C(=O)COC2 238330710 573276007 /nfs/dbraw/zinc/27/60/07/573276007.db2.gz HLJUVTWERBTMLO-UHFFFAOYSA-N 0 0 191.230 1.466 10 0 ADAERN C[C@H]1CC(=O)C[C@@H](c2cncs2)N1 74241534 573276020 /nfs/dbraw/zinc/27/60/20/573276020.db2.gz KCMMDQDVKUIXND-XPUUQOCRSA-N 0 0 196.275 1.525 10 0 ADAERN CC(C)(C)C[C@H]1CNC(=O)C[C@@H]1CO 215121791 573276022 /nfs/dbraw/zinc/27/60/22/573276022.db2.gz CSBVPNWBKNRIAQ-BDAKNGLRSA-N 0 0 199.294 1.167 10 0 ADAERN CC(C)(C)C[C@@H]1CC(=O)N[C@@H]1CCO 215121534 573276036 /nfs/dbraw/zinc/27/60/36/573276036.db2.gz AZXDESDOXAMKFW-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN CC[C@H](C)N(CCO)C(=O)C=C(C)C 308536383 573276044 /nfs/dbraw/zinc/27/60/44/573276044.db2.gz MJZSPEPMVKOASA-JTQLQIEISA-N 0 0 199.294 1.572 10 0 ADAERN C[C@@H]1CC(=O)C[C@H](c2nccs2)N1 74241523 573276053 /nfs/dbraw/zinc/27/60/53/573276053.db2.gz MWRHZRFLEFGGAE-HTRCEHHLSA-N 0 0 196.275 1.525 10 0 ADAERN CC(=O)[C@H]1C[N@H+](C)CC=C1C 238330675 573276058 /nfs/dbraw/zinc/27/60/58/573276058.db2.gz QMRKUFFZIMEYJB-VIFPVBQESA-N 0 0 153.225 1.083 10 0 ADAERN [NH3+]CCc1c(F)c([O-])cc(F)c1F 257991523 573276070 /nfs/dbraw/zinc/27/60/70/573276070.db2.gz FRXNSVYEVIRDFS-UHFFFAOYSA-N 0 0 191.152 1.311 10 0 ADAERN C[C@@H]1C[C@H]1n1c(N)nc2cnccc21 86159623 573276082 /nfs/dbraw/zinc/27/60/82/573276082.db2.gz ZBWVSVMMVLRMCK-HZGVNTEJSA-N 0 0 188.234 1.594 10 0 ADAERN Cc1cc(CCO)cc2c1OCO2 257990825 573276091 /nfs/dbraw/zinc/27/60/91/573276091.db2.gz KPRSIJSSHPBUJW-UHFFFAOYSA-N 0 0 180.203 1.259 10 0 ADAERN CC[C@@H]1NCN([C@@H](C)CC2CC2)C1=O 126040129 573276098 /nfs/dbraw/zinc/27/60/98/573276098.db2.gz CEZREHLLBWZZFR-WPRPVWTQSA-N 0 0 196.294 1.343 10 0 ADAERN CC(=O)CCCn1cc(C(C)=O)cn1 308537251 573276120 /nfs/dbraw/zinc/27/61/20/573276120.db2.gz LPXMEXLQMPNANF-UHFFFAOYSA-N 0 0 194.234 1.455 10 0 ADAERN Cn1cnc([C@@H](O)C2=CCCCO2)c1 236097778 573276122 /nfs/dbraw/zinc/27/61/22/573276122.db2.gz SHVJJZHEOKJQAM-SNVBAGLBSA-N 0 0 194.234 1.148 10 0 ADAERN COC(C)(C)[C@@H]1C[C@@H]1C(C)=O 238330349 573276124 /nfs/dbraw/zinc/27/61/24/573276124.db2.gz VPISSMZERRKAIW-HTQZYQBOSA-N 0 0 156.225 1.637 10 0 ADAERN CN1CCC(=O)Nc2c(F)cccc21 86159367 573276144 /nfs/dbraw/zinc/27/61/44/573276144.db2.gz KPVNBFHANDTYDX-UHFFFAOYSA-N 0 0 194.209 1.604 10 0 ADAERN CCN1CC(=O)Nc2cc(F)ccc21 86159315 573276148 /nfs/dbraw/zinc/27/61/48/573276148.db2.gz DDLCUCJPWFZSTP-UHFFFAOYSA-N 0 0 194.209 1.604 10 0 ADAERN Cn1cnc([C@@H](O)Cc2ccco2)c1 236099022 573276193 /nfs/dbraw/zinc/27/61/93/573276193.db2.gz MOXWEZWMUDVKIL-JTQLQIEISA-N 0 0 192.218 1.289 10 0 ADAERN Cc1cc(F)nc(-c2ccn(C)n2)n1 690032722 573276199 /nfs/dbraw/zinc/27/61/99/573276199.db2.gz GASKGQIDZMBRAJ-UHFFFAOYSA-N 0 0 192.197 1.325 10 0 ADAERN ONCCc1ccccc1F 258617429 573276230 /nfs/dbraw/zinc/27/62/30/573276230.db2.gz WMMDLZPOZZUIBQ-UHFFFAOYSA-N 0 0 155.172 1.347 10 0 ADAERN Cn1nccc1C(=O)[C@H](O)C(C)(C)C 236076226 573276241 /nfs/dbraw/zinc/27/62/41/573276241.db2.gz NUPYYCYYAWRMOS-VIFPVBQESA-N 0 0 196.250 1.010 10 0 ADAERN C/C=C(\CC)C(=O)OCCOCC 393580072 573275743 /nfs/dbraw/zinc/27/57/43/573275743.db2.gz GAEMRWKRIGYKQW-RUDMXATFSA-N 0 0 186.251 1.922 10 0 ADAERN CCc1nn(C)c2c1[nH]c(=S)n2C 86161094 573277228 /nfs/dbraw/zinc/27/72/28/573277228.db2.gz FDWLMWANHKWXKX-UHFFFAOYSA-N 0 0 196.279 1.532 10 0 ADAERN CC[C@@H](C)n1c(N)nc2cnccc21 86159556 573277234 /nfs/dbraw/zinc/27/72/34/573277234.db2.gz UZDIMIRUKOGLOQ-SSDOTTSWSA-N 0 0 190.250 1.985 10 0 ADAERN C[NH2+][C@H](C)c1cc(F)c([O-])cc1F 238331381 573277272 /nfs/dbraw/zinc/27/72/72/573277272.db2.gz KJCSUFVOLICJTL-RXMQYKEDSA-N 0 0 187.189 1.951 10 0 ADAERN C[C@@H](C1CC1)[N@@H+]1CCCC[C@@H]1C(=O)[O-] 74239387 573277293 /nfs/dbraw/zinc/27/72/93/573277293.db2.gz XYEXMGAYGUNVRI-WCBMZHEXSA-N 0 0 197.278 1.724 10 0 ADAERN NOCc1c[nH]c2ccc(O)cc12 257990696 573277300 /nfs/dbraw/zinc/27/73/00/573277300.db2.gz BJKWXMSRWXOGOC-UHFFFAOYSA-N 0 0 178.191 1.264 10 0 ADAERN CCCC(=O)COC[C@H]1CCCO1 50185143 573279115 /nfs/dbraw/zinc/27/91/15/573279115.db2.gz RIBKPLNZDOOSOL-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN C/C=C\c1c[nH]c(C=O)c1 211940833 573279124 /nfs/dbraw/zinc/27/91/24/573279124.db2.gz ATFCGKNSKZRWPQ-IHWYPQMZSA-N 0 0 135.166 1.860 10 0 ADAERN CC(C)(C)C[C@H]1CC(=O)NC[C@@H]1CO 215122004 573279130 /nfs/dbraw/zinc/27/91/30/573279130.db2.gz PTKMGJNQKYWADO-RKDXNWHRSA-N 0 0 199.294 1.167 10 0 ADAERN OCCCc1c(F)ccc2c1OCC2 257991362 573279139 /nfs/dbraw/zinc/27/91/39/573279139.db2.gz FPFCWPHXPBKPOC-UHFFFAOYSA-N 0 0 196.221 1.686 10 0 ADAERN Cc1cnc([C@@H]2CNCCC2=O)s1 74241444 573279148 /nfs/dbraw/zinc/27/91/48/573279148.db2.gz NZIVABPBCCVKLH-SSDOTTSWSA-N 0 0 196.275 1.098 10 0 ADAERN O[C@H]1COC[C@H]1C1CCCCCC1 687969050 573279185 /nfs/dbraw/zinc/27/91/85/573279185.db2.gz FQLXBNBJQQFUHG-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CO[C@@H]1COCc2ccccc21 238331019 573279195 /nfs/dbraw/zinc/27/91/95/573279195.db2.gz RAQAMUDNJJNIST-SNVBAGLBSA-N 0 0 164.204 1.904 10 0 ADAERN CN(C)c1ccc2c(c1)NC(=O)C2 238330500 573279201 /nfs/dbraw/zinc/27/92/01/573279201.db2.gz GNQQBVNXWJOUKX-UHFFFAOYSA-N 0 0 176.219 1.247 10 0 ADAERN C[C@@H]1C[C@@H]1n1c(N)nc2cccnc21 86160035 573279229 /nfs/dbraw/zinc/27/92/29/573279229.db2.gz ZXWSUTYCOXGMLG-SVRRBLITSA-N 0 0 188.234 1.594 10 0 ADAERN Cc1nc(Cl)c2n1[C@@H](O)CCC2 258276330 573279234 /nfs/dbraw/zinc/27/92/34/573279234.db2.gz MZUHCHHTPDOHGZ-ZETCQYMHSA-N 0 0 186.642 1.672 10 0 ADAERN COC(C)(C)c1cc(C)[nH]n1 238331041 573279250 /nfs/dbraw/zinc/27/92/50/573279250.db2.gz UKDKIXPUSAMADV-UHFFFAOYSA-N 0 0 154.213 1.600 10 0 ADAERN COC[C@@H]1CCC[C@@]12CCC[C@@H]2O 238330907 573279274 /nfs/dbraw/zinc/27/92/74/573279274.db2.gz MKCRNGONULNWAB-GARJFASQSA-N 0 0 184.279 1.964 10 0 ADAERN CCc1cc(F)ccc1CON 238330984 573279284 /nfs/dbraw/zinc/27/92/84/573279284.db2.gz SCXUNCZRYBOBNP-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN Cc1cnc2c(c1)NC(=O)[C@H](C)N2 86160806 573279287 /nfs/dbraw/zinc/27/92/87/573279287.db2.gz ZPUDTIKHJCCYIQ-LURJTMIESA-N 0 0 177.207 1.143 10 0 ADAERN CCC[C@@H]1Nc2ncccc2NC1=O 86160166 573279363 /nfs/dbraw/zinc/27/93/63/573279363.db2.gz SIRJTECSNNHPJR-QMMMGPOBSA-N 0 0 191.234 1.614 10 0 ADAERN c1nc2c(s1)CCN2 105730932 573279365 /nfs/dbraw/zinc/27/93/65/573279365.db2.gz SWAUOEXAGIPLDC-UHFFFAOYSA-N 0 0 126.184 1.111 10 0 ADAERN ONCc1ccccc1OC1CC1 257990871 573279366 /nfs/dbraw/zinc/27/93/66/573279366.db2.gz KRBJGTLXHYIIRQ-UHFFFAOYSA-N 0 0 179.219 1.707 10 0 ADAERN COCCC/C=C(/C)CO 238330398 573279380 /nfs/dbraw/zinc/27/93/80/573279380.db2.gz VFGGJHVSGJXNAV-YVMONPNESA-N 0 0 144.214 1.352 10 0 ADAERN Cc1cnc2c(c1)NC(=O)CCN2C 86160863 573279387 /nfs/dbraw/zinc/27/93/87/573279387.db2.gz DNRAMFMWMXGETK-UHFFFAOYSA-N 0 0 191.234 1.168 10 0 ADAERN O[C@@H]1COC[C@@H]1Cc1cccs1 687969403 573279401 /nfs/dbraw/zinc/27/94/01/573279401.db2.gz HZJXKVYORHBHCO-IONNQARKSA-N 0 0 184.260 1.298 10 0 ADAERN Cn1cnc([C@@H](O)c2ccco2)c1 236100040 573279425 /nfs/dbraw/zinc/27/94/25/573279425.db2.gz USBVAHYLRGOTQT-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN O=C1CN(C2CC2)c2ncccc2N1 86160173 573279426 /nfs/dbraw/zinc/27/94/26/573279426.db2.gz VCYWYAYKQBNSMI-UHFFFAOYSA-N 0 0 189.218 1.003 10 0 ADAERN Cc1ccc([C@H](C)C[NH3+])cc1C(=O)[O-] 257991304 573279429 /nfs/dbraw/zinc/27/94/29/573279429.db2.gz FNPAPQAHESRVLH-MRVPVSSYSA-N 0 0 193.246 1.755 10 0 ADAERN CC(C)(C)C[C@@H]1CC(=O)NC[C@H]1CO 215122052 573279461 /nfs/dbraw/zinc/27/94/61/573279461.db2.gz PTKMGJNQKYWADO-IUCAKERBSA-N 0 0 199.294 1.167 10 0 ADAERN O[C@H]1COC[C@@H]1c1ccccc1F 687969361 573279467 /nfs/dbraw/zinc/27/94/67/573279467.db2.gz HIQLYVMZCBNHEN-SCZZXKLOSA-N 0 0 182.194 1.300 10 0 ADAERN CN1N=C2CCCCCC2C1=O 116396566 573279476 /nfs/dbraw/zinc/27/94/76/573279476.db2.gz GMUONJJZTFTIMN-UHFFFAOYSA-N 0 0 166.224 1.395 10 0 ADAERN CC(C)(C)C[C@H]1CNC(=O)C[C@H]1CO 215121885 573279480 /nfs/dbraw/zinc/27/94/80/573279480.db2.gz CSBVPNWBKNRIAQ-IUCAKERBSA-N 0 0 199.294 1.167 10 0 ADAERN Cc1cnc2c(c1)NC(=O)C(C)(C)N2 86160855 573279485 /nfs/dbraw/zinc/27/94/85/573279485.db2.gz UHTOWVUQGVPHAY-UHFFFAOYSA-N 0 0 191.234 1.533 10 0 ADAERN Cc1ccc([C@@H](C)[C@H](O)CCO)cc1 238434892 573279490 /nfs/dbraw/zinc/27/94/90/573279490.db2.gz IVMSRTBUTZDLOZ-ZYHUDNBSSA-N 0 0 194.274 1.842 10 0 ADAERN CCCN1N=C(C)C(CC)C1=O 116396883 573279493 /nfs/dbraw/zinc/27/94/93/573279493.db2.gz IEDHARHIHZJVSF-UHFFFAOYSA-N 0 0 168.240 1.870 10 0 ADAERN C[C@H]1CC(=O)C[C@H](c2cscn2)N1 74241544 573279505 /nfs/dbraw/zinc/27/95/05/573279505.db2.gz MLTGUAMIKKVWFC-POYBYMJQSA-N 0 0 196.275 1.525 10 0 ADAERN COc1cc(C)cc2c1O[C@H](C)C2=O 105738160 573279527 /nfs/dbraw/zinc/27/95/27/573279527.db2.gz BPHSXEFPJFHUMF-SSDOTTSWSA-N 0 0 192.214 1.967 10 0 ADAERN CCC(=O)[C@@H](CC)COC 86161725 573279531 /nfs/dbraw/zinc/27/95/31/573279531.db2.gz HXUCJGMFRKYFBH-ZETCQYMHSA-N 0 0 144.214 1.638 10 0 ADAERN CC(C)(C)C[C@@H]1CCNC(=O)[C@@H]1CO 215122164 573279561 /nfs/dbraw/zinc/27/95/61/573279561.db2.gz ASMKLVTXTOLYQM-DTWKUNHWSA-N 0 0 199.294 1.167 10 0 ADAERN CSc1ncc(C(N)=O)cc1C 197264774 573279570 /nfs/dbraw/zinc/27/95/70/573279570.db2.gz SDCGWJXFFGZYBY-UHFFFAOYSA-N 0 0 182.248 1.211 10 0 ADAERN O[C@H]1COC[C@H]1c1ccccc1F 687969363 573280800 /nfs/dbraw/zinc/28/08/00/573280800.db2.gz HIQLYVMZCBNHEN-WPRPVWTQSA-N 0 0 182.194 1.300 10 0 ADAERN COCCN1Cc2ccsc2C1=O 238332208 573280805 /nfs/dbraw/zinc/28/08/05/573280805.db2.gz KCAHSKICXLBECL-UHFFFAOYSA-N 0 0 197.259 1.350 10 0 ADAERN Cn1ccc(CC(=O)[C@@H]2CC2(C)C)n1 236088189 573280869 /nfs/dbraw/zinc/28/08/69/573280869.db2.gz GKPSLUGEENWTCC-VIFPVBQESA-N 0 0 192.262 1.578 10 0 ADAERN CC[C@@H](CO)n1cccc1C 197267152 573280890 /nfs/dbraw/zinc/28/08/90/573280890.db2.gz VOOPRWGOTWLRDL-VIFPVBQESA-N 0 0 153.225 1.740 10 0 ADAERN C[C@@H](O)c1n[nH]nc1-c1ccccc1 258490230 573280921 /nfs/dbraw/zinc/28/09/21/573280921.db2.gz FNTLHCKUYCNAPO-SSDOTTSWSA-N 0 0 189.218 1.525 10 0 ADAERN OCC1(C2CCOCC2)CC1 259065613 573280929 /nfs/dbraw/zinc/28/09/29/573280929.db2.gz BNDJRNJWMXCJAO-UHFFFAOYSA-N 0 0 156.225 1.186 10 0 ADAERN CC1=NN(CC(C)C)C(=O)C1C 116396696 573280931 /nfs/dbraw/zinc/28/09/31/573280931.db2.gz NZKRJUIPFKZEBG-UHFFFAOYSA-N 0 0 168.240 1.862 10 0 ADAERN CO/C=C(/C)CCCCO 238332275 573280948 /nfs/dbraw/zinc/28/09/48/573280948.db2.gz MSTIXICFRDENGT-FPLPWBNLSA-N 0 0 144.214 1.699 10 0 ADAERN Cc1cccc(-c2[nH]cnc2N)c1 105865445 573280986 /nfs/dbraw/zinc/28/09/86/573280986.db2.gz MTLUAAXBLRWNNC-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CCC1C(=O)N(CC)N=C1C 116396823 573281014 /nfs/dbraw/zinc/28/10/14/573281014.db2.gz QDPKNAUDTOYDLC-UHFFFAOYSA-N 0 0 154.213 1.479 10 0 ADAERN CNC(=O)[C@H]1O[C@H]1C1CCCCC1 238332231 573281028 /nfs/dbraw/zinc/28/10/28/573281028.db2.gz NDVVHSCKZIFYNO-IUCAKERBSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1cc(C)n(-c2ncc(N)s2)n1 74246311 573281035 /nfs/dbraw/zinc/28/10/35/573281035.db2.gz BXQHVFPDLYRRTO-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN COC(=O)c1cnc2cc(C)ccn12 238333242 573281040 /nfs/dbraw/zinc/28/10/40/573281040.db2.gz QFBBGHYHHCKSQH-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CC[C@@H](O)[C@@H]1CCOC(C)(C)C1 86166958 573281044 /nfs/dbraw/zinc/28/10/44/573281044.db2.gz AQNBHWGNJGPLIL-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN CCCCCOC[C@H](O)CC 50182224 573281062 /nfs/dbraw/zinc/28/10/62/573281062.db2.gz AAQBUSQPFYDRKJ-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CO[C@@H]1C[C@@H](C)C(=O)C[C@@H]1C 238331930 573281068 /nfs/dbraw/zinc/28/10/68/573281068.db2.gz NSIZFRBZSPXGBX-BKPPORCPSA-N 0 0 156.225 1.637 10 0 ADAERN CCCN1N=C(C)C(C)C1=O 116396920 573281070 /nfs/dbraw/zinc/28/10/70/573281070.db2.gz UTZKZTVNGAPIGZ-UHFFFAOYSA-N 0 0 154.213 1.616 10 0 ADAERN Cc1cc([C@@H]2C[NH2+][C@H](C(=O)[O-])C2)co1 74245257 573281077 /nfs/dbraw/zinc/28/10/77/573281077.db2.gz OTWLSMRUZYJSMJ-CBAPKCEASA-N 0 0 195.218 1.118 10 0 ADAERN Cn1cnc(C(=O)CC2CC2)c1 236090845 573281088 /nfs/dbraw/zinc/28/10/88/573281088.db2.gz ZBIOFUDMXMCXKQ-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN Cn1cnnc1CN[C@@H]1C=CCCC1 236085503 573281128 /nfs/dbraw/zinc/28/11/28/573281128.db2.gz AIDOQMDTIXLKDR-SECBINFHSA-N 0 0 192.266 1.013 10 0 ADAERN CCCOC(=O)NCC(=O)C(C)C 393580501 573281149 /nfs/dbraw/zinc/28/11/49/573281149.db2.gz GXYGONZDDYLMEA-UHFFFAOYSA-N 0 0 187.239 1.348 10 0 ADAERN C[C@H]1CC[C@@H](C)N1CC(F)(F)CN 642830430 573281167 /nfs/dbraw/zinc/28/11/67/573281167.db2.gz GBNSBIZRKPDHIT-OCAPTIKFSA-N 0 0 192.253 1.453 10 0 ADAERN CONCc1ccc(CF)cc1 257988796 573281179 /nfs/dbraw/zinc/28/11/79/573281179.db2.gz KMWVKJPIUTYSGZ-UHFFFAOYSA-N 0 0 169.199 1.807 10 0 ADAERN CNC(NC)c1c[nH]c2ccccc12 259401652 573281192 /nfs/dbraw/zinc/28/11/92/573281192.db2.gz MSICGEPKSSEKPG-UHFFFAOYSA-N 0 0 189.262 1.605 10 0 ADAERN COC(C)(OC)[C@@H](O)C(C)C 238331932 573281195 /nfs/dbraw/zinc/28/11/95/573281195.db2.gz HTZXLZAGFIZXKR-ZETCQYMHSA-N 0 0 162.229 1.012 10 0 ADAERN O[C@H]1COC[C@@H]1Cc1cccs1 687969402 573281196 /nfs/dbraw/zinc/28/11/96/573281196.db2.gz HZJXKVYORHBHCO-CBAPKCEASA-N 0 0 184.260 1.298 10 0 ADAERN Cc1sccc1[C@@H]1COC[C@H]1O 687969064 573281213 /nfs/dbraw/zinc/28/12/13/573281213.db2.gz FZGKMQLKDMRJSH-DTWKUNHWSA-N 0 0 184.260 1.531 10 0 ADAERN c1ccn2c3c(nc2c1)CCC3 105737379 573281234 /nfs/dbraw/zinc/28/12/34/573281234.db2.gz ZFFWPAKNPWTBQT-UHFFFAOYSA-N 0 0 158.204 1.823 10 0 ADAERN CC[C@H](O)COC[C@H]1CCCCO1 50182190 573281246 /nfs/dbraw/zinc/28/12/46/573281246.db2.gz UBIVNRARQNFMTD-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN Cn1nccc1[C@H](O)C1=CCCCC1 236088674 573281254 /nfs/dbraw/zinc/28/12/54/573281254.db2.gz KFJUWLKIARRKQJ-LLVKDONJSA-N 0 0 192.262 1.954 10 0 ADAERN COC(C)(OC)[C@H]1CCCC1=O 238332135 573281260 /nfs/dbraw/zinc/28/12/60/573281260.db2.gz SCUIUHRLZQSDSB-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN CCCN1N=C2CCCC2C1=O 116396903 573281264 /nfs/dbraw/zinc/28/12/64/573281264.db2.gz UUSBCGBQIADHCO-UHFFFAOYSA-N 0 0 166.224 1.487 10 0 ADAERN CO/C=C(/C)[C@H](C)CCO 238332387 573281282 /nfs/dbraw/zinc/28/12/82/573281282.db2.gz BATLUSDFHQEMSJ-QHRPWQPMSA-N 0 0 144.214 1.555 10 0 ADAERN Nc1cnn(-c2ccc(F)cc2F)n1 74242907 573281285 /nfs/dbraw/zinc/28/12/85/573281285.db2.gz LDRJFNBCXLKBFC-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN COC[C@@H]1CC[C@@H](C)CC1=O 238331606 573281293 /nfs/dbraw/zinc/28/12/93/573281293.db2.gz LNDGPIPBDJRIBA-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN COC(=O)[C@@H]1CCCCC[C@@H]1NC#N 238331977 573281301 /nfs/dbraw/zinc/28/13/01/573281301.db2.gz NPQAUDODFDZCCD-BDAKNGLRSA-N 0 0 196.250 1.179 10 0 ADAERN CC(C)(N)c1nc(C(F)(F)F)no1 74245514 573281314 /nfs/dbraw/zinc/28/13/14/573281314.db2.gz QVXULAQGWFAFNR-UHFFFAOYSA-N 0 0 195.144 1.282 10 0 ADAERN O=C([O-])[C@@H]1C[C@H](c2ccco2)CC[NH2+]1 74245175 573281550 /nfs/dbraw/zinc/28/15/50/573281550.db2.gz YYNPTTHRFBFULI-SFYZADRCSA-N 0 0 195.218 1.200 10 0 ADAERN CCN1N=C2CCCCCC2C1=O 116396835 573281559 /nfs/dbraw/zinc/28/15/59/573281559.db2.gz RDAGBRLSHOGZJB-UHFFFAOYSA-N 0 0 180.251 1.878 10 0 ADAERN COC(=O)c1c(F)ccc(C=O)c1O 238332235 573281573 /nfs/dbraw/zinc/28/15/73/573281573.db2.gz KQHYRZZDRQQTCB-UHFFFAOYSA-N 0 0 198.149 1.130 10 0 ADAERN COCc1c2ccc(N)cc2nn1C 238331897 573281596 /nfs/dbraw/zinc/28/15/96/573281596.db2.gz DLSIJGCRPMOZMF-UHFFFAOYSA-N 0 0 191.234 1.302 10 0 ADAERN CN(C)Cc1cccnc1F 238333126 573281628 /nfs/dbraw/zinc/28/16/28/573281628.db2.gz NJMGHZNMNYNBKS-UHFFFAOYSA-N 0 0 154.188 1.282 10 0 ADAERN C[C@@H](C[NH3+])Cc1ccc(N)c([S-])c1 259401924 573281640 /nfs/dbraw/zinc/28/16/40/573281640.db2.gz HXBBNIUSXUNMGD-SSDOTTSWSA-N 0 0 196.319 1.695 10 0 ADAERN Cn1cc(C[C@]2(C)CCC(=O)C2)nn1 236089376 573281709 /nfs/dbraw/zinc/28/17/09/573281709.db2.gz NJOZYQSIELNINA-JTQLQIEISA-N 0 0 193.250 1.117 10 0 ADAERN CO[C@@H]1CSC(C)(C)CC1=O 238331614 573281748 /nfs/dbraw/zinc/28/17/48/573281748.db2.gz UIGOAJDXSZLYAL-SSDOTTSWSA-N 0 0 174.265 1.486 10 0 ADAERN O[C@@H]1COC[C@H]1C1CCCCCC1 687969051 573281780 /nfs/dbraw/zinc/28/17/80/573281780.db2.gz FQLXBNBJQQFUHG-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)CCCN1NCCC1=O 258490312 573281826 /nfs/dbraw/zinc/28/18/26/573281826.db2.gz JYLWSKHBZSANMW-UHFFFAOYSA-N 0 0 170.256 1.160 10 0 ADAERN Cn1[nH]c(=O)c2cccc(F)c21 258620192 573281836 /nfs/dbraw/zinc/28/18/36/573281836.db2.gz WQKVYTQRFSCUNF-UHFFFAOYSA-N 0 0 166.155 1.006 10 0 ADAERN CC[C@@H]1C[C@H]([C@H](O)CC)CCO1 86166515 573281855 /nfs/dbraw/zinc/28/18/55/573281855.db2.gz YHZKIWSFBQALTO-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN O=C([O-])[C@@H]1C[C@H](c2ccoc2)CC[NH2+]1 74245169 573281862 /nfs/dbraw/zinc/28/18/62/573281862.db2.gz FTOJATXWOHCSKV-APPZFPTMSA-N 0 0 195.218 1.200 10 0 ADAERN CC[C@H]1N[C@H](C)N(CCC2CC2)C1=O 129427612 573281866 /nfs/dbraw/zinc/28/18/66/573281866.db2.gz VEHCSAPQOAFBFW-WCBMZHEXSA-N 0 0 196.294 1.343 10 0 ADAERN Nc1ccccc1C(=O)[C@H]1CCOC1 82924865 573281872 /nfs/dbraw/zinc/28/18/72/573281872.db2.gz GJQBIPLYQUBHMY-QMMMGPOBSA-N 0 0 191.230 1.488 10 0 ADAERN C[NH2+][C@@H](C)c1cccc(C(=O)[O-])n1 238332776 573281877 /nfs/dbraw/zinc/28/18/77/573281877.db2.gz GFSSCSLOBLEARW-LURJTMIESA-N 0 0 180.207 1.060 10 0 ADAERN COC[C@@H]1CC[C@H]2C(=O)CC[C@@H]12 238331728 573281919 /nfs/dbraw/zinc/28/19/19/573281919.db2.gz AEUOKJSMPQEERK-XHNCKOQMSA-N 0 0 168.236 1.638 10 0 ADAERN C[NH2+][C@@H](C)c1ccc([O-])c(F)c1F 238331694 573281925 /nfs/dbraw/zinc/28/19/25/573281925.db2.gz BBNAEHOKQZVEHQ-YFKPBYRVSA-N 0 0 187.189 1.951 10 0 ADAERN CCc1occc1N 105731714 573281953 /nfs/dbraw/zinc/28/19/53/573281953.db2.gz SYZZVHWDGCZZRQ-UHFFFAOYSA-N 0 0 111.144 1.424 10 0 ADAERN CNC(=O)N(C)c1ccc(C)o1 258618706 573281960 /nfs/dbraw/zinc/28/19/60/573281960.db2.gz BUZRIDWAFZWRAS-UHFFFAOYSA-N 0 0 168.196 1.364 10 0 ADAERN CCc1cc(N)c(C(=O)[O-])c(C)[nH+]1 238332506 573281969 /nfs/dbraw/zinc/28/19/69/573281969.db2.gz BJZWHJVFCBRNNI-UHFFFAOYSA-N 0 0 180.207 1.233 10 0 ADAERN CCC1([C@@H]2NNC(=O)[C@@H]2C)CCC1 686135258 573281993 /nfs/dbraw/zinc/28/19/93/573281993.db2.gz FMJQGQOCTQCVEQ-HTQZYQBOSA-N 0 0 182.267 1.206 10 0 ADAERN CNc1ccc(C)c(CO)c1 238332082 573282019 /nfs/dbraw/zinc/28/20/19/573282019.db2.gz QEYQPHKCWHUVCV-UHFFFAOYSA-N 0 0 151.209 1.529 10 0 ADAERN Cc1noc(N)c1C1CCC1 258490314 573283621 /nfs/dbraw/zinc/28/36/21/573283621.db2.gz JYOHFHZLQZRMMH-UHFFFAOYSA-N 0 0 152.197 1.833 10 0 ADAERN OCCOc1ccc2ocnc2c1 259403267 573283639 /nfs/dbraw/zinc/28/36/39/573283639.db2.gz IMDGYOAULZBAGX-UHFFFAOYSA-N 0 0 179.175 1.199 10 0 ADAERN COC[C@@H]1CC[C@@H]2C(=O)CC[C@H]21 238331874 573283673 /nfs/dbraw/zinc/28/36/73/573283673.db2.gz AEUOKJSMPQEERK-CIUDSAMLSA-N 0 0 168.236 1.638 10 0 ADAERN Cn1cnc(C(=O)C2CCOCC2)c1 236090160 573283719 /nfs/dbraw/zinc/28/37/19/573283719.db2.gz VASKPLGOWYLMPT-UHFFFAOYSA-N 0 0 194.234 1.029 10 0 ADAERN CN(CCC1CC1)c1nccc(N)n1 308537486 573283722 /nfs/dbraw/zinc/28/37/22/573283722.db2.gz SYRMGMCWFGPLFF-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CO/C=C(/C)[C@@H](C)CCO 238332370 573283733 /nfs/dbraw/zinc/28/37/33/573283733.db2.gz BATLUSDFHQEMSJ-VQKCLUMFSA-N 0 0 144.214 1.555 10 0 ADAERN Cn1cnc(C(=O)CC2CCC2)c1 236090855 573283765 /nfs/dbraw/zinc/28/37/65/573283765.db2.gz OUXAXPIIPDZYCL-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN Cc1[nH]c(CO)nc1-c1ccco1 258490107 573283768 /nfs/dbraw/zinc/28/37/68/573283768.db2.gz CUOZQHGGDCXBJZ-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN O=C([O-])[C@H]1C[C@H](c2ccoc2)CC[NH2+]1 74245172 573283772 /nfs/dbraw/zinc/28/37/72/573283772.db2.gz FTOJATXWOHCSKV-VXNVDRBHSA-N 0 0 195.218 1.200 10 0 ADAERN CC(=O)NCc1ncc2sccn12 197274116 573283773 /nfs/dbraw/zinc/28/37/73/573283773.db2.gz IAXQADNSJHVONY-UHFFFAOYSA-N 0 0 195.247 1.032 10 0 ADAERN C[NH2+][C@@H](C)c1cccc(C(=O)[O-])c1F 238332759 573283802 /nfs/dbraw/zinc/28/38/02/573283802.db2.gz NGGRVYOZRZFSKA-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN CC[C@H](CO)c1csc(C)n1 259402219 573283827 /nfs/dbraw/zinc/28/38/27/573283827.db2.gz TWKYHJHRPZIIIM-SSDOTTSWSA-N 0 0 171.265 1.937 10 0 ADAERN CC(C)CCc1c[nH]cc1C(=O)CN 74246068 573283836 /nfs/dbraw/zinc/28/38/36/573283836.db2.gz GFTUMWPXWVQMKY-UHFFFAOYSA-N 0 0 194.278 1.745 10 0 ADAERN COC(C)(OC)c1ccc(N)cc1 238332200 573283837 /nfs/dbraw/zinc/28/38/37/573283837.db2.gz BMUDKANZDJRZBQ-UHFFFAOYSA-N 0 0 181.235 1.734 10 0 ADAERN CC[C@@H]1N[C@H](C)N(CCC2CC2)C1=O 129427810 573283839 /nfs/dbraw/zinc/28/38/39/573283839.db2.gz VEHCSAPQOAFBFW-WPRPVWTQSA-N 0 0 196.294 1.343 10 0 ADAERN CCCn1c(CO)nnc1C1(C)CC1 308533404 573283841 /nfs/dbraw/zinc/28/38/41/573283841.db2.gz LMNQYPZQFOXNIU-UHFFFAOYSA-N 0 0 195.266 1.232 10 0 ADAERN CN(C)c1cccc(C2COC2)c1 238332513 573283846 /nfs/dbraw/zinc/28/38/46/573283846.db2.gz WLPVXNNXFSIPEI-UHFFFAOYSA-N 0 0 177.247 1.866 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](c2ccco2)CC[NH2+]1 74245181 573283852 /nfs/dbraw/zinc/28/38/52/573283852.db2.gz YYNPTTHRFBFULI-JGVFFNPUSA-N 0 0 195.218 1.200 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](c2ccoc2)CC[NH2+]1 74245174 573283860 /nfs/dbraw/zinc/28/38/60/573283860.db2.gz FTOJATXWOHCSKV-IONNQARKSA-N 0 0 195.218 1.200 10 0 ADAERN COCc1cnc(C)c(N)c1COC 238331603 573283862 /nfs/dbraw/zinc/28/38/62/573283862.db2.gz PDDUBMQICKWCSN-UHFFFAOYSA-N 0 0 196.250 1.265 10 0 ADAERN CCOC(=O)[C@@](C)(O)[C@H](C)CC 86165616 573283884 /nfs/dbraw/zinc/28/38/84/573283884.db2.gz ZRBCBFIQERCPAH-APPZFPTMSA-N 0 0 174.240 1.347 10 0 ADAERN C[C@]12CC(=O)CC[C@H]1[C@@H](O)C2 197273340 573283914 /nfs/dbraw/zinc/28/39/14/573283914.db2.gz DOVDXARRANSQIC-XHNCKOQMSA-N 0 0 154.209 1.127 10 0 ADAERN CCCC(=O)COC[C@H]1CCOC1 50185524 573283923 /nfs/dbraw/zinc/28/39/23/573283923.db2.gz DRAMVUWMYPBOPD-VIFPVBQESA-N 0 0 186.251 1.409 10 0 ADAERN C=C(C)[C@@H]([NH2+][C@@H](C)CC)C(=O)[O-] 158914648 573283942 /nfs/dbraw/zinc/28/39/42/573283942.db2.gz BXIPQGCOPPLQMA-JGVFFNPUSA-N 0 0 171.240 1.404 10 0 ADAERN c1coc(-c2nnc3n2CCCN3)c1 116478090 573283948 /nfs/dbraw/zinc/28/39/48/573283948.db2.gz URZAWQODWNXUSX-UHFFFAOYSA-N 0 0 190.206 1.354 10 0 ADAERN CCc1cc(N)c(F)cc1C(=O)OC 238332688 573283957 /nfs/dbraw/zinc/28/39/57/573283957.db2.gz AUEMUMPTLGPBSX-UHFFFAOYSA-N 0 0 197.209 1.757 10 0 ADAERN CC[C@H]1N[C@@H](C)N(CCC2CC2)C1=O 129427187 573283998 /nfs/dbraw/zinc/28/39/98/573283998.db2.gz VEHCSAPQOAFBFW-PSASIEDQSA-N 0 0 196.294 1.343 10 0 ADAERN Cn1nccc1[C@H](O)[C@H]1CC1(C)C 236089264 573284017 /nfs/dbraw/zinc/28/40/17/573284017.db2.gz AMWAUVIOUHNYFO-VXNVDRBHSA-N 0 0 180.251 1.500 10 0 ADAERN CCCC(=O)COCC(F)(F)F 50185215 573284020 /nfs/dbraw/zinc/28/40/20/573284020.db2.gz ODMSRSHRXYITFR-UHFFFAOYSA-N 0 0 184.157 1.935 10 0 ADAERN CCCC(=O)Cn1nc(C)nc1C 50184662 573284040 /nfs/dbraw/zinc/28/40/40/573284040.db2.gz RRTRXVABHRBBOE-UHFFFAOYSA-N 0 0 181.239 1.264 10 0 ADAERN CNC(=O)C[C@@H](O)c1ccc(C)cc1 238332897 573284064 /nfs/dbraw/zinc/28/40/64/573284064.db2.gz JEFLEZWJAVHDGL-SNVBAGLBSA-N 0 0 193.246 1.165 10 0 ADAERN CC1(c2ccc3c(c2)CCO3)COC1 259068275 573284377 /nfs/dbraw/zinc/28/43/77/573284377.db2.gz KOKUBILGWDRGPD-UHFFFAOYSA-N 0 0 190.242 1.909 10 0 ADAERN C=C(C)[C@@H]([NH2+][C@H](C)CC)C(=O)[O-] 158914505 573284398 /nfs/dbraw/zinc/28/43/98/573284398.db2.gz BXIPQGCOPPLQMA-HTQZYQBOSA-N 0 0 171.240 1.404 10 0 ADAERN CNC(=O)[C@H]1O[C@@H]1C1CCCCC1 238332125 573284406 /nfs/dbraw/zinc/28/44/06/573284406.db2.gz NDVVHSCKZIFYNO-BDAKNGLRSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1c[nH]c2ccc(NN)cc12 259067399 573284427 /nfs/dbraw/zinc/28/44/27/573284427.db2.gz BNITXLIQQFTDIQ-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN CC[C@H](O)[C@H]1CCOC(C)(C)C1 86166960 573284432 /nfs/dbraw/zinc/28/44/32/573284432.db2.gz AQNBHWGNJGPLIL-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)CCOc1ncc(CO)cn1 308540607 573284436 /nfs/dbraw/zinc/28/44/36/573284436.db2.gz NUXKFVKKONSCDP-UHFFFAOYSA-N 0 0 196.250 1.394 10 0 ADAERN NOCc1cc(F)cc(Cl)c1 116423813 573284455 /nfs/dbraw/zinc/28/44/55/573284455.db2.gz PIRQSUPLFXJHME-UHFFFAOYSA-N 0 0 175.590 1.869 10 0 ADAERN CCCc1ccc(NC#N)nn1 259402391 573284528 /nfs/dbraw/zinc/28/45/28/573284528.db2.gz VORDNTJISUMNHS-UHFFFAOYSA-N 0 0 162.196 1.322 10 0 ADAERN C[NH2+][C@H](C)c1cc([O-])c(F)c(F)c1 238332548 573284550 /nfs/dbraw/zinc/28/45/50/573284550.db2.gz UZYIIIBQXMINLI-RXMQYKEDSA-N 0 0 187.189 1.951 10 0 ADAERN CC(C)(O)c1ccc(CCON)cc1 259402522 573284559 /nfs/dbraw/zinc/28/45/59/573284559.db2.gz JFJDCPGPXLFRED-UHFFFAOYSA-N 0 0 195.262 1.347 10 0 ADAERN CC[C@H](O)[C@H]1CCO[C@H](C)C1 86166799 573284581 /nfs/dbraw/zinc/28/45/81/573284581.db2.gz MSMFRHGBOARSJA-VGMNWLOBSA-N 0 0 158.241 1.572 10 0 ADAERN Cn1ccc(C[C@H](O)[C@H]2CC2(C)C)n1 236089593 573284596 /nfs/dbraw/zinc/28/45/96/573284596.db2.gz KZFKUWWKWINNMM-ZJUUUORDSA-N 0 0 194.278 1.370 10 0 ADAERN CCCC1(c2nnc(CNC)o2)CC1 308538825 573284607 /nfs/dbraw/zinc/28/46/07/573284607.db2.gz NCMQFHVZIRGZCO-UHFFFAOYSA-N 0 0 195.266 1.621 10 0 ADAERN CCCC(=O)COC[C@@H]1CCOC1 50185523 573284624 /nfs/dbraw/zinc/28/46/24/573284624.db2.gz DRAMVUWMYPBOPD-SECBINFHSA-N 0 0 186.251 1.409 10 0 ADAERN CCc1cc(O)cc(C[C@H](C)O)c1 257988817 573284625 /nfs/dbraw/zinc/28/46/25/573284625.db2.gz KNDAFRMEHBSRBX-QMMMGPOBSA-N 0 0 180.247 1.878 10 0 ADAERN COCCC1=CSC=CNC1=O 238332683 573284626 /nfs/dbraw/zinc/28/46/26/573284626.db2.gz BNFDVJXUBDJQNP-UHFFFAOYSA-N 0 0 185.248 1.241 10 0 ADAERN Nc1cnn(-c2cc(F)cc(F)c2)n1 74242906 573284627 /nfs/dbraw/zinc/28/46/27/573284627.db2.gz WKTXADSRWRPFSX-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CO/C=C(/C)CC[C@@H](C)O 238332309 573284635 /nfs/dbraw/zinc/28/46/35/573284635.db2.gz RKXBNJBNSJOYII-NFXKFNAJSA-N 0 0 144.214 1.698 10 0 ADAERN CCC[C@@H](C)[C@](C)(O)C(=O)OCC 86165731 573284650 /nfs/dbraw/zinc/28/46/50/573284650.db2.gz PVQVFVMSKYFOJV-SCZZXKLOSA-N 0 0 188.267 1.737 10 0 ADAERN Cn1ccc(CC(=O)[C@H]2CC2(C)C)n1 236088343 573284652 /nfs/dbraw/zinc/28/46/52/573284652.db2.gz GKPSLUGEENWTCC-SECBINFHSA-N 0 0 192.262 1.578 10 0 ADAERN CC[C@@H](O)[C@H]1CCOC(C)(C)C1 86166961 573284686 /nfs/dbraw/zinc/28/46/86/573284686.db2.gz AQNBHWGNJGPLIL-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN CCc1cc(N)c(C=O)cc1O 238332608 573284687 /nfs/dbraw/zinc/28/46/87/573284687.db2.gz UFXYTQYRZQRRMC-UHFFFAOYSA-N 0 0 165.192 1.349 10 0 ADAERN COCc1cncc(Cl)n1 238331758 573284723 /nfs/dbraw/zinc/28/47/23/573284723.db2.gz NBTPISRSPIIZEP-UHFFFAOYSA-N 0 0 158.588 1.276 10 0 ADAERN COC(=O)c1c(O)ccc(OC)c1C 238332940 573284742 /nfs/dbraw/zinc/28/47/42/573284742.db2.gz 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/nfs/dbraw/zinc/28/48/65/573284865.db2.gz ZEJRFEOKIKCWQE-UHFFFAOYSA-N 0 0 193.246 1.926 10 0 ADAERN CNc1ccc(C=O)cc1N 238332933 573284873 /nfs/dbraw/zinc/28/48/73/573284873.db2.gz NESMBURZYYIYLS-UHFFFAOYSA-N 0 0 150.181 1.123 10 0 ADAERN C[C@]12CC(=O)CC[C@H]1[C@H](O)C2 197273371 573284877 /nfs/dbraw/zinc/28/48/77/573284877.db2.gz DOVDXARRANSQIC-DJLDLDEBSA-N 0 0 154.209 1.127 10 0 ADAERN C[C@@H]1CCCc2cnc(CCO)n21 258280221 573285582 /nfs/dbraw/zinc/28/55/82/573285582.db2.gz NQSSTIJXZUOGRA-MRVPVSSYSA-N 0 0 180.251 1.315 10 0 ADAERN COc1ccc(CCC(C)=O)nc1 259403110 573285023 /nfs/dbraw/zinc/28/50/23/573285023.db2.gz RXMKRNGUOJEUAT-UHFFFAOYSA-N 0 0 179.219 1.612 10 0 ADAERN CNC(=O)[C@H]1[C@@H](C)C=CCC1(C)C 238332336 573285056 /nfs/dbraw/zinc/28/50/56/573285056.db2.gz LFJCOUUUIVUZLB-DTWKUNHWSA-N 0 0 181.279 1.971 10 0 ADAERN COCCc1c(C)noc1NC(C)=O 238331636 573285063 /nfs/dbraw/zinc/28/50/63/573285063.db2.gz DEPQTPROCOYMFZ-UHFFFAOYSA-N 0 0 198.222 1.130 10 0 ADAERN CCCC(=O)Cn1cc(Cl)cn1 50184649 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Nc1c[nH]nc1COc1ccccc1 257994253 573288117 /nfs/dbraw/zinc/28/81/17/573288117.db2.gz YFMYSKYGJZMUBY-UHFFFAOYSA-N 0 0 189.218 1.571 10 0 ADAERN Cc1[nH]c(=S)n(N2CCC2)c1C 716679801 573288120 /nfs/dbraw/zinc/28/81/20/573288120.db2.gz IREKXDBVPQPCLI-UHFFFAOYSA-N 0 0 183.280 1.130 10 0 ADAERN NOCCc1ccc2c(c1)COCC2 257994111 573288131 /nfs/dbraw/zinc/28/81/31/573288131.db2.gz FWWBGCBPQVMEBJ-UHFFFAOYSA-N 0 0 193.246 1.192 10 0 ADAERN CCCCOC[C@@H](O)CCC 50194104 573288137 /nfs/dbraw/zinc/28/81/37/573288137.db2.gz UGVKWFQZLHHIAM-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN C[C@H](O)c1ccc(O)cc1C=O 257994910 573288138 /nfs/dbraw/zinc/28/81/38/573288138.db2.gz LBMSJFSYNXGDNO-LURJTMIESA-N 0 0 166.176 1.258 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@@]1(C)C1CC1 86190951 573288139 /nfs/dbraw/zinc/28/81/39/573288139.db2.gz QKRLMKMYJXJVGW-LHLIQPBNSA-N 0 0 181.235 1.085 10 0 ADAERN CN(O)CCC1CCOCC1 258490352 573288143 /nfs/dbraw/zinc/28/81/43/573288143.db2.gz KAECVOHZSATLPN-UHFFFAOYSA-N 0 0 159.229 1.124 10 0 ADAERN C=C(C)[C@@H]([NH2+]CC(C)C)C(=O)[O-] 158908499 573288144 /nfs/dbraw/zinc/28/81/44/573288144.db2.gz YGQOQTMITAOLNN-MRVPVSSYSA-N 0 0 171.240 1.261 10 0 ADAERN CC(C)[C@@]1(C)CC(=O)NC(=O)[C@H]1C 86190739 573288156 /nfs/dbraw/zinc/28/81/56/573288156.db2.gz PTILDLDYWAIAGH-GMSGAONNSA-N 0 0 183.251 1.331 10 0 ADAERN Cc1c(CO)cc(-c2ccc[nH]2)n1C 259404590 573288169 /nfs/dbraw/zinc/28/81/69/573288169.db2.gz YXUDZQDWNWTFPP-UHFFFAOYSA-N 0 0 190.246 1.821 10 0 ADAERN CCOC(C)(C)C(=O)COC(C)C 132309381 573288192 /nfs/dbraw/zinc/28/81/92/573288192.db2.gz VHBRLYVKQWLZBD-UHFFFAOYSA-N 0 0 188.267 1.796 10 0 ADAERN CNC(=O)c1ccc(SC)cc1N 116519271 573288193 /nfs/dbraw/zinc/28/81/93/573288193.db2.gz YQLVSFSWUDFYHJ-UHFFFAOYSA-N 0 0 196.275 1.350 10 0 ADAERN ONCc1ccccc1CF 257994927 573288195 /nfs/dbraw/zinc/28/81/95/573288195.db2.gz LCSSQHSZJTXYOF-UHFFFAOYSA-N 0 0 155.172 1.635 10 0 ADAERN COc1cc(C(C)=O)cnc1OC 238334608 573288217 /nfs/dbraw/zinc/28/82/17/573288217.db2.gz KGCSCCIKTJASLX-UHFFFAOYSA-N 0 0 181.191 1.301 10 0 ADAERN Nc1ccccc1[C@@H](O)c1ccoc1 82925024 573288220 /nfs/dbraw/zinc/28/82/20/573288220.db2.gz UMDDUJOJZGIOES-NSHDSACASA-N 0 0 189.214 1.944 10 0 ADAERN Cc1cnc([C@@H]2CC(=O)C[C@H](C)N2)o1 74246809 573288239 /nfs/dbraw/zinc/28/82/39/573288239.db2.gz QLVXQQPIVFKISE-RCOVLWMOSA-N 0 0 194.234 1.365 10 0 ADAERN COc1cc(O)cc([C@H](C)O)c1OC 257994134 573288245 /nfs/dbraw/zinc/28/82/45/573288245.db2.gz FXMGSJJGFKNGJU-LURJTMIESA-N 0 0 198.218 1.463 10 0 ADAERN Cc1ccc(C2(O)COC2)c(C)c1C 259406453 573288258 /nfs/dbraw/zinc/28/82/58/573288258.db2.gz XUIDYAMMXAWWLQ-UHFFFAOYSA-N 0 0 192.258 1.830 10 0 ADAERN CN[C@@H](c1ccc(OC)cc1)N(C)C 259405460 573288279 /nfs/dbraw/zinc/28/82/79/573288279.db2.gz HLWKKSTXACKOOQ-LLVKDONJSA-N 0 0 194.278 1.475 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1C/C=C\CC(=O)[O-] 258279978 573288304 /nfs/dbraw/zinc/28/83/04/573288304.db2.gz SLRJVVYZHSKHKZ-ZMWSMAPVSA-N 0 0 197.278 1.892 10 0 ADAERN COc1c(CON)ccc2c1CCC2 257994011 573288321 /nfs/dbraw/zinc/28/83/21/573288321.db2.gz FTUMELFCMITNEP-UHFFFAOYSA-N 0 0 193.246 1.574 10 0 ADAERN CNC(=O)/C=C/c1cc(C)n(C)c1C 238334963 573288324 /nfs/dbraw/zinc/28/83/24/573288324.db2.gz YVUXDTGVKHBQKQ-AATRIKPKSA-N 0 0 192.262 1.401 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1CCC1CC1 129437310 573288326 /nfs/dbraw/zinc/28/83/26/573288326.db2.gz HVPWRRYCMOUYBH-LLVKDONJSA-N 0 0 196.294 1.200 10 0 ADAERN C[C@@H]1C[C@]1(C(=O)[O-])[C@@H]1CC[N@H+](C)C1 259069040 573288334 /nfs/dbraw/zinc/28/83/34/573288334.db2.gz XVIJYQKNZBNBAN-NQMVMOMDSA-N 0 0 183.251 1.049 10 0 ADAERN Cn1cncc1-c1n[nH]c(C2CC2)n1 236101542 573288338 /nfs/dbraw/zinc/28/83/38/573288338.db2.gz KAUSZYLMRANSLN-UHFFFAOYSA-N 0 0 189.222 1.083 10 0 ADAERN Cn1cc(N)c(NC[C@@H]2CC2(C)C)n1 236100985 573288349 /nfs/dbraw/zinc/28/83/49/573288349.db2.gz YBMIOEKSOAXJFD-ZETCQYMHSA-N 0 0 194.282 1.460 10 0 ADAERN CCc1cc(O)c(C(=O)OC)c(O)c1 238334654 573288378 /nfs/dbraw/zinc/28/83/78/573288378.db2.gz PQRUIUVLMGEPQB-UHFFFAOYSA-N 0 0 196.202 1.447 10 0 ADAERN CO/C=C/[C@H]1CCC=C[C@H]1O 238333761 573288387 /nfs/dbraw/zinc/28/83/87/573288387.db2.gz UICREONPWURSSB-VRIGTBSNSA-N 0 0 154.209 1.474 10 0 ADAERN C[C@@H]1C[C@@]1(C(=O)[O-])[C@@H]1CC[N@H+](C)C1 259069036 573288391 /nfs/dbraw/zinc/28/83/91/573288391.db2.gz XVIJYQKNZBNBAN-MRTMQBJTSA-N 0 0 183.251 1.049 10 0 ADAERN C=C(C)[C@@H]([NH2+]CC1CC1)C(=O)[O-] 158910213 573288416 /nfs/dbraw/zinc/28/84/16/573288416.db2.gz SKFYAUMMBRDQAF-MRVPVSSYSA-N 0 0 169.224 1.015 10 0 ADAERN C[NH2+][C@@H](C)c1cccnc1C(=O)[O-] 238334871 573288426 /nfs/dbraw/zinc/28/84/26/573288426.db2.gz QCWDQVLTLCTZSS-LURJTMIESA-N 0 0 180.207 1.060 10 0 ADAERN CC[C@]1(C)CC(=O)NC(=O)[C@H]1C 86191216 573288433 /nfs/dbraw/zinc/28/84/33/573288433.db2.gz INSARUNSTFERJV-HZGVNTEJSA-N 0 0 169.224 1.085 10 0 ADAERN CCC[C@H]1C(=O)NC(=O)C[C@]1(C)CC 86191638 573288436 /nfs/dbraw/zinc/28/84/36/573288436.db2.gz GAGDRVJDAKTZIE-KWQFWETISA-N 0 0 197.278 1.866 10 0 ADAERN CNC(=O)[C@]1(Cl)CC[C@@H](C)[C@@H]1C 238333995 573288437 /nfs/dbraw/zinc/28/84/37/573288437.db2.gz IPFZMVNXKCSYGH-FJXKBIBVSA-N 0 0 189.686 1.776 10 0 ADAERN Cc1cnc([C@H]2CC(=O)C[C@@H](C)N2)o1 74246812 573288442 /nfs/dbraw/zinc/28/84/42/573288442.db2.gz QLVXQQPIVFKISE-HZGVNTEJSA-N 0 0 194.234 1.365 10 0 ADAERN CC(C)SC(=O)c1nccc(N)n1 257994182 573288443 /nfs/dbraw/zinc/28/84/43/573288443.db2.gz YDPMULPRORSRJO-UHFFFAOYSA-N 0 0 197.263 1.341 10 0 ADAERN Cc1nccc2ccc(CON)cc12 257994155 573288453 /nfs/dbraw/zinc/28/84/53/573288453.db2.gz FYIWMYRILDIMLP-UHFFFAOYSA-N 0 0 188.230 1.934 10 0 ADAERN C[C@@H]1C(=O)NC(=O)CC12CCCCC2 86190775 573288456 /nfs/dbraw/zinc/28/84/56/573288456.db2.gz LJOMLLDUCGUUPL-MRVPVSSYSA-N 0 0 195.262 1.620 10 0 ADAERN CC(C)[C@H]1C(=O)NC(=O)CC12CCC2 86191847 573288464 /nfs/dbraw/zinc/28/84/64/573288464.db2.gz KMTPQXSIEWTBNG-VIFPVBQESA-N 0 0 195.262 1.475 10 0 ADAERN COC(=O)[C@H]1COCc2ccccc21 238334395 573288466 /nfs/dbraw/zinc/28/84/66/573288466.db2.gz DIOUTBPUBVJRLO-JTQLQIEISA-N 0 0 192.214 1.473 10 0 ADAERN CO/C=C/[C@@H]1CCCC[C@H]1NC(C)=O 238333354 573288476 /nfs/dbraw/zinc/28/84/76/573288476.db2.gz JQWLZIUAOOZFTJ-IAYMVZNDSA-N 0 0 197.278 1.841 10 0 ADAERN CO/C=C/[C@@H]1CCCC[C@@H]1NC(C)=O 238333338 573288483 /nfs/dbraw/zinc/28/84/83/573288483.db2.gz JQWLZIUAOOZFTJ-IJUHFESZSA-N 0 0 197.278 1.841 10 0 ADAERN C=C(C)[C@H]([NH2+]C1CCCC1)C(=O)[O-] 158910966 573288488 /nfs/dbraw/zinc/28/84/88/573288488.db2.gz HSXCIIDJRPAYBD-VIFPVBQESA-N 0 0 183.251 1.548 10 0 ADAERN Cn1cnc([C@H](O)C2=COCCC2)c1 236103594 573288006 /nfs/dbraw/zinc/28/80/06/573288006.db2.gz UUKZPDVENAHUPP-SNVBAGLBSA-N 0 0 194.234 1.148 10 0 ADAERN Cc1nn(C)c2ccc(F)c(C=O)c12 259404607 573288007 /nfs/dbraw/zinc/28/80/07/573288007.db2.gz LRCFGUPVHDUKHA-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN Cc1n[nH]cc1[C@@H]1CC(=O)C[C@H](C)N1 74248103 573290522 /nfs/dbraw/zinc/29/05/22/573290522.db2.gz ZGFKTUYIFDCTJQ-WKEGUHRASA-N 0 0 193.250 1.100 10 0 ADAERN CC(C)(C)c1nc(C[NH3+])c(C(=O)[O-])o1 257993790 573290527 /nfs/dbraw/zinc/29/05/27/573290527.db2.gz DQNQEMFQAJRDPP-UHFFFAOYSA-N 0 0 198.222 1.129 10 0 ADAERN COC1([C@@H](O)Cc2ccoc2)CCC1 132351952 573290545 /nfs/dbraw/zinc/29/05/45/573290545.db2.gz ZOURZXGCZQKSCH-JTQLQIEISA-N 0 0 196.246 1.752 10 0 ADAERN Cc1cccc2c1C[C@@H]([C@@H](C)O)N2 258279537 573290548 /nfs/dbraw/zinc/29/05/48/573290548.db2.gz TUWHKTTUZAKLEB-KCJUWKMLSA-N 0 0 177.247 1.712 10 0 ADAERN Cn1cnc([C@H](O)C2CCCC2)c1 236103624 573290549 /nfs/dbraw/zinc/29/05/49/573290549.db2.gz LMQPHVLVUZMDPG-SNVBAGLBSA-N 0 0 180.251 1.644 10 0 ADAERN NOCCc1ccc(O)c(F)c1F 257994092 573290615 /nfs/dbraw/zinc/29/06/15/573290615.db2.gz FWJVQAHQYQDQHS-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN CC(=O)c1cc(C[C@@H]2CCCO2)on1 259404206 573290661 /nfs/dbraw/zinc/29/06/61/573290661.db2.gz XLNCTSZLZVCULQ-QMMMGPOBSA-N 0 0 195.218 1.599 10 0 ADAERN COC(=O)Cc1cc(C)cs1 116497349 573290668 /nfs/dbraw/zinc/29/06/68/573290668.db2.gz IJWJSZAZHCQXLG-UHFFFAOYSA-N 0 0 170.233 1.772 10 0 ADAERN Cc1nc[nH]c1[C@@H]1CC(=O)C[C@@H](C)N1 74248081 573290670 /nfs/dbraw/zinc/29/06/70/573290670.db2.gz FYPJMQDEQIYQMU-MUWHJKNJSA-N 0 0 193.250 1.100 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@@H]1C1CC1 86191942 573290671 /nfs/dbraw/zinc/29/06/71/573290671.db2.gz USXBDUUNPHZOBQ-HTQZYQBOSA-N 0 0 181.235 1.085 10 0 ADAERN CCCC(=O)CSc1cnn(C)c1 50186138 573290681 /nfs/dbraw/zinc/29/06/81/573290681.db2.gz GFNGANQHXQUEKG-UHFFFAOYSA-N 0 0 198.291 1.881 10 0 ADAERN OCC[C@@H]1Cc2c(O)cccc2O1 258279586 573290702 /nfs/dbraw/zinc/29/07/02/573290702.db2.gz TVOVVKOFBROSIU-SSDOTTSWSA-N 0 0 180.203 1.078 10 0 ADAERN CC(C)(C)Cc1ccc(C(N)=O)cn1 197021297 573290717 /nfs/dbraw/zinc/29/07/17/573290717.db2.gz QCUSYQHKXRSGMM-UHFFFAOYSA-N 0 0 192.262 1.769 10 0 ADAERN OC[C@@H]1C[C@H]1c1ccc(O)cc1 258620165 573290720 /nfs/dbraw/zinc/29/07/20/573290720.db2.gz WQAKWHJSLHFSDJ-WPRPVWTQSA-N 0 0 164.204 1.488 10 0 ADAERN Cc1cccc2c1C[C@@H]([C@H](C)O)N2 258279540 573290723 /nfs/dbraw/zinc/29/07/23/573290723.db2.gz TUWHKTTUZAKLEB-KWQFWETISA-N 0 0 177.247 1.712 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)CC1(C)C 86192024 573290731 /nfs/dbraw/zinc/29/07/31/573290731.db2.gz UQAPKZPDUUICKR-ZCFIWIBFSA-N 0 0 169.224 1.085 10 0 ADAERN Cc1nocc1[C@H]1CC(=O)C[C@H](C)N1 74246814 573290738 /nfs/dbraw/zinc/29/07/38/573290738.db2.gz MORNTNZERDBKDX-QUBYGPBYSA-N 0 0 194.234 1.365 10 0 ADAERN CCC[C@](O)(c1ccnn1C)C1CC1 308534598 573290743 /nfs/dbraw/zinc/29/07/43/573290743.db2.gz LAWHVGACXIARCT-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]([NH2+]C)c1ccc[nH]1 259073501 573290754 /nfs/dbraw/zinc/29/07/54/573290754.db2.gz BZYWQXLQNAJSGU-VXNVDRBHSA-N 0 0 196.250 1.386 10 0 ADAERN Cc1ccc2c(c1)[C@H]([C@@H](C)O)CN2 257994585 573290779 /nfs/dbraw/zinc/29/07/79/573290779.db2.gz IASOBDXBVUFMSB-SCZZXKLOSA-N 0 0 177.247 1.885 10 0 ADAERN Cc1cc([C@@H]2CC(=O)C[C@@H](C)N2)co1 74248286 573290785 /nfs/dbraw/zinc/29/07/85/573290785.db2.gz SXKIRXGVYKRTLP-HQJQHLMTSA-N 0 0 193.246 1.970 10 0 ADAERN COc1cc(O)cc([C@@H](C)O)c1OC 257994136 573290812 /nfs/dbraw/zinc/29/08/12/573290812.db2.gz FXMGSJJGFKNGJU-ZCFIWIBFSA-N 0 0 198.218 1.463 10 0 ADAERN O=Cc1nc2cc(CO)ccc2s1 74248348 573290818 /nfs/dbraw/zinc/29/08/18/573290818.db2.gz IVPRIRZWFWFHKH-UHFFFAOYSA-N 0 0 193.227 1.601 10 0 ADAERN Cc1cc([C@@H](C)CO)ccc1O 257994982 573290823 /nfs/dbraw/zinc/29/08/23/573290823.db2.gz LFLSCPDSTKECPX-QMMMGPOBSA-N 0 0 166.220 1.796 10 0 ADAERN COc1c(C)cc([C@H](C)CO)cc1O 257994096 573290840 /nfs/dbraw/zinc/29/08/40/573290840.db2.gz FWLYACBPHTWWFE-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN Cc1occc1[C@H]1CC(=O)C[C@H](C)N1 74248289 573290855 /nfs/dbraw/zinc/29/08/55/573290855.db2.gz CJDPKAVLJVENRD-WRWORJQWSA-N 0 0 193.246 1.970 10 0 ADAERN Cn1cnc([C@H](O)Cc2ccco2)c1 236104271 573290863 /nfs/dbraw/zinc/29/08/63/573290863.db2.gz MOXWEZWMUDVKIL-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN Cn1cnc([C@H](O)C2=CCCCC2)c1 236103534 573290867 /nfs/dbraw/zinc/29/08/67/573290867.db2.gz KCXMGCYABGUTKJ-LLVKDONJSA-N 0 0 192.262 1.954 10 0 ADAERN O=C1N[C@H]2C3C[C@@H]4CC(C[C@H](C3)C4)[C@@H]12 223966554 573290891 /nfs/dbraw/zinc/29/08/91/573290891.db2.gz AIKILDDHLRZJGA-XTNHUSNXSA-N 0 0 191.274 1.557 10 0 ADAERN Cn1cnc(C(=O)[C@@H]2CCCOC2)c1 236108706 573290896 /nfs/dbraw/zinc/29/08/96/573290896.db2.gz UNBHMRYTUILKPC-MRVPVSSYSA-N 0 0 194.234 1.029 10 0 ADAERN C[C@@H]1COc2cccc(F)c2NC1=O 259404141 573290908 /nfs/dbraw/zinc/29/09/08/573290908.db2.gz XKUJWRDGNKOHAA-ZCFIWIBFSA-N 0 0 195.193 1.793 10 0 ADAERN CCCC(=O)CSCCOC 50185920 573290913 /nfs/dbraw/zinc/29/09/13/573290913.db2.gz KKBGLJFSBVXCJD-UHFFFAOYSA-N 0 0 176.281 1.735 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@H]1C1CC1 86191941 573290914 /nfs/dbraw/zinc/29/09/14/573290914.db2.gz USXBDUUNPHZOBQ-YUMQZZPRSA-N 0 0 181.235 1.085 10 0 ADAERN CC1(C)C[C@@H](O)CN1C(=O)C1CCC1 259071428 573290915 /nfs/dbraw/zinc/29/09/15/573290915.db2.gz IHEBVLTZAZXILL-SECBINFHSA-N 0 0 197.278 1.158 10 0 ADAERN CN[C@H]1OC(=C(C)C)C(C)(C)O1 238340459 573290926 /nfs/dbraw/zinc/29/09/26/573290926.db2.gz HYAMICAPFOKVHW-QMMMGPOBSA-N 0 0 171.240 1.609 10 0 ADAERN Cc1cc(CC[NH3+])cc(C(=O)[O-])c1C 257994021 573290936 /nfs/dbraw/zinc/29/09/36/573290936.db2.gz FTWLFSNSFZDUGH-UHFFFAOYSA-N 0 0 193.246 1.503 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH2+]C)c1ccc[nH]1 259073494 573290947 /nfs/dbraw/zinc/29/09/47/573290947.db2.gz BZYWQXLQNAJSGU-APPZFPTMSA-N 0 0 196.250 1.386 10 0 ADAERN CN(C)c1cc2c(cc1CO)CCC2 238325465 573290951 /nfs/dbraw/zinc/29/09/51/573290951.db2.gz VUZHOTOHSAXVNP-UHFFFAOYSA-N 0 0 191.274 1.734 10 0 ADAERN C[C@H](O)c1coc([C@@H]2CCCN2C)n1 257994400 573290960 /nfs/dbraw/zinc/29/09/60/573290960.db2.gz IFYAMAZCVDYGDY-CBAPKCEASA-N 0 0 196.250 1.495 10 0 ADAERN COc1cccc([C@@]2(CO)CCO2)c1 258621711 573293888 /nfs/dbraw/zinc/29/38/88/573293888.db2.gz USNQHSVGCFGHIG-NSHDSACASA-N 0 0 194.230 1.303 10 0 ADAERN Cc1cc(C)cc(-c2nc(N)no2)c1 74276091 573293897 /nfs/dbraw/zinc/29/38/97/573293897.db2.gz IHEVNGRTDANIIM-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CNc1ccc(NC(C)=O)cc1N 238335103 573293899 /nfs/dbraw/zinc/29/38/99/573293899.db2.gz FWVQSTBUDHSJAQ-UHFFFAOYSA-N 0 0 179.223 1.269 10 0 ADAERN CSC[C@@H](CO)C1CCOCC1 257997750 573293900 /nfs/dbraw/zinc/29/39/00/573293900.db2.gz DORMPBOFXJJYRM-SECBINFHSA-N 0 0 190.308 1.385 10 0 ADAERN C[NH2+][C@@H](C)c1ccsc1C(=O)[O-] 238335340 573293910 /nfs/dbraw/zinc/29/39/10/573293910.db2.gz XRJUKSXKZHLPOY-YFKPBYRVSA-N 0 0 185.248 1.727 10 0 ADAERN Cc1nccc([C@H]([NH3+])C2CCCC2)n1 74271291 573293914 /nfs/dbraw/zinc/29/39/14/573293914.db2.gz AZZTWALEOBCTQV-LLVKDONJSA-N 0 0 191.278 1.975 10 0 ADAERN CSCCC[C@H](CC[NH3+])C(=O)[O-] 132376619 573293920 /nfs/dbraw/zinc/29/39/20/573293920.db2.gz HWCIFCMAVNPVRY-SSDOTTSWSA-N 0 0 191.296 1.179 10 0 ADAERN CCC1=N[C@@H]2C[C@H](O)CC[C@H]2O1 257995278 573293938 /nfs/dbraw/zinc/29/39/38/573293938.db2.gz OKTFYOKTIUWUCZ-BWZBUEFSSA-N 0 0 169.224 1.107 10 0 ADAERN CO[C@@H](C)Cn1cc(N)c(C2CC2)n1 716689281 573293939 /nfs/dbraw/zinc/29/39/39/573293939.db2.gz NENBYYCHYHESOX-ZETCQYMHSA-N 0 0 195.266 1.378 10 0 ADAERN CCc1cc(O)c(F)c(C(=O)OC)c1 238335283 573293976 /nfs/dbraw/zinc/29/39/76/573293976.db2.gz YYSRZNFHJYLLTI-UHFFFAOYSA-N 0 0 198.193 1.880 10 0 ADAERN CC1=NC(=S)N([C@H]2CCOC2)C1C 716696654 573293997 /nfs/dbraw/zinc/29/39/97/573293997.db2.gz JVXSZSHALIAJEX-QMMMGPOBSA-N 0 0 198.291 1.750 10 0 ADAERN CC[S@@](=O)(=NC)c1ccc(N)cc1 238325303 573294011 /nfs/dbraw/zinc/29/40/11/573294011.db2.gz QIMPGTOHFICRJI-ZDUSSCGKSA-N 0 0 198.291 1.745 10 0 ADAERN C[C@@H](O)Cc1noc(C(C)(C)C)n1 257998046 573294013 /nfs/dbraw/zinc/29/40/13/573294013.db2.gz LZBGPBBHQZIDAP-ZCFIWIBFSA-N 0 0 184.239 1.290 10 0 ADAERN COCCc1ncc(Cl)n1C 258622043 573294022 /nfs/dbraw/zinc/29/40/22/573294022.db2.gz UVOFXZNWIDYAAO-UHFFFAOYSA-N 0 0 174.631 1.262 10 0 ADAERN Cc1ccc([C@H](NN)N(C)C)cc1C 259071475 573294031 /nfs/dbraw/zinc/29/40/31/573294031.db2.gz DPJPPQRGDXTWPV-LLVKDONJSA-N 0 0 193.294 1.327 10 0 ADAERN O=C(Cc1ccncn1)c1ccncc1 259071017 573294037 /nfs/dbraw/zinc/29/40/37/573294037.db2.gz HSHWMHKMYIWNQB-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN CONCc1ccc(OC)c(C)c1C 257996689 573294076 /nfs/dbraw/zinc/29/40/76/573294076.db2.gz GCBWBWQMQCDVIK-UHFFFAOYSA-N 0 0 195.262 1.963 10 0 ADAERN COCc1cc(F)ccc1CO 257996963 573294102 /nfs/dbraw/zinc/29/41/02/573294102.db2.gz LHXDWCWQKNOMAB-UHFFFAOYSA-N 0 0 170.183 1.464 10 0 ADAERN C[C@@H](CO)c1cc2c(cc1O)OCO2 257996667 573294106 /nfs/dbraw/zinc/29/41/06/573294106.db2.gz GBHDTOCSAGBBHB-LURJTMIESA-N 0 0 196.202 1.217 10 0 ADAERN Cc1cccc2c1[C@H](C(=O)[O-])[NH2+]CC2 74272885 573294125 /nfs/dbraw/zinc/29/41/25/573294125.db2.gz OQEALSSUBBMPHX-SNVBAGLBSA-N 0 0 191.230 1.266 10 0 ADAERN COc1c(F)cc(F)c(O)c1CO 257996674 573294145 /nfs/dbraw/zinc/29/41/45/573294145.db2.gz GBLFAERMUXPLPU-UHFFFAOYSA-N 0 0 190.145 1.171 10 0 ADAERN COC(=S)C(=O)C(C)(C)C 238325503 573294154 /nfs/dbraw/zinc/29/41/54/573294154.db2.gz BDAZBHYVXDPQKL-UHFFFAOYSA-N 0 0 160.238 1.575 10 0 ADAERN O=C1Cc2cc(C3(O)CC3)ccc2N1 257996638 573294160 /nfs/dbraw/zinc/29/41/60/573294160.db2.gz GAJIYYGUUVSVTM-UHFFFAOYSA-N 0 0 189.214 1.163 10 0 ADAERN CC(C)(C)C[C@H]1C[NH2+][C@H](C(=O)[O-])C1 257996832 573294235 /nfs/dbraw/zinc/29/42/35/573294235.db2.gz ACXFTCOXFJGMGH-YUMQZZPRSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1c(F)ccc(CON)c1F 257997097 573294260 /nfs/dbraw/zinc/29/42/60/573294260.db2.gz LLIWGWCPAOVNDL-UHFFFAOYSA-N 0 0 173.162 1.664 10 0 ADAERN Nc1ccccc1SC1COC1 86194850 573294262 /nfs/dbraw/zinc/29/42/62/573294262.db2.gz OSGNRFBJJKACHI-UHFFFAOYSA-N 0 0 181.260 1.760 10 0 ADAERN Cn1cnc2c(CCCO)cccc21 257996730 573294277 /nfs/dbraw/zinc/29/42/77/573294277.db2.gz GCRWBKWBQFHTSQ-UHFFFAOYSA-N 0 0 190.246 1.498 10 0 ADAERN CCCn1c(=O)[nH]c2cccc(F)c21 257998538 573294293 /nfs/dbraw/zinc/29/42/93/573294293.db2.gz YWAIFCOKHLCDFT-UHFFFAOYSA-N 0 0 194.209 1.879 10 0 ADAERN CC1=CC(C)(C)NC(=O)N1C 238325452 573294294 /nfs/dbraw/zinc/29/42/94/573294294.db2.gz JNVCICURPOTMRW-UHFFFAOYSA-N 0 0 154.213 1.324 10 0 ADAERN Cn1cc(C[C@@H]2CCCCC2=O)nn1 236117688 573295490 /nfs/dbraw/zinc/29/54/90/573295490.db2.gz CNDDPTCUTCSTDT-QMMMGPOBSA-N 0 0 193.250 1.117 10 0 ADAERN OCc1cnc([C@H]2CCCO2)o1 258240154 573295501 /nfs/dbraw/zinc/29/55/01/573295501.db2.gz WETXDKUJKYQRJL-SSDOTTSWSA-N 0 0 169.180 1.018 10 0 ADAERN CC(=O)C[C@@H](C)SC1COC1 86195510 573295515 /nfs/dbraw/zinc/29/55/15/573295515.db2.gz LZEBMJHZUKLYMY-SSDOTTSWSA-N 0 0 174.265 1.486 10 0 ADAERN CC(C)OCc1c(N)cnn1C(C)C 257996522 573295532 /nfs/dbraw/zinc/29/55/32/573295532.db2.gz YODSRYUKXFMFOW-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN CC[C@@H](C)[N@@H+]1C[C@H](C(=O)[O-])CC1(C)C 259407561 573296441 /nfs/dbraw/zinc/29/64/41/573296441.db2.gz MQNSRIPFPOTZNH-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN CCSC(=O)c1cc(N)no1 257996460 573296457 /nfs/dbraw/zinc/29/64/57/573296457.db2.gz YMVBNOCMXFJNLY-UHFFFAOYSA-N 0 0 172.209 1.150 10 0 ADAERN FC(F)(F)CNC/C=C/Cl 236117463 573296468 /nfs/dbraw/zinc/29/64/68/573296468.db2.gz DKAKXWGCUDZVSL-OWOJBTEDSA-N 0 0 173.565 1.891 10 0 ADAERN CC#CCC[NH2+]CCCCCC(=O)[O-] 125749550 573296511 /nfs/dbraw/zinc/29/65/11/573296511.db2.gz KHCJKJULXFGIOG-UHFFFAOYSA-N 0 0 197.278 1.634 10 0 ADAERN FC(F)(F)CNCC[C@@H]1CCOC1 236116550 573296518 /nfs/dbraw/zinc/29/65/18/573296518.db2.gz FYVDTCDEHATATP-SSDOTTSWSA-N 0 0 197.200 1.565 10 0 ADAERN O=C1CCCC[C@H]1SC1COC1 86195465 573296573 /nfs/dbraw/zinc/29/65/73/573296573.db2.gz WXGLJRFLTCVIKX-SECBINFHSA-N 0 0 186.276 1.630 10 0 ADAERN O=C1CCC[C@@H](SC2COC2)C1 86195492 573296578 /nfs/dbraw/zinc/29/65/78/573296578.db2.gz UVUAPAJWOQJXKL-MRVPVSSYSA-N 0 0 186.276 1.630 10 0 ADAERN COc1cc(C(F)(F)CN)ccn1 238336600 573296580 /nfs/dbraw/zinc/29/65/80/573296580.db2.gz QZKBFTYESGSRRY-UHFFFAOYSA-N 0 0 188.177 1.141 10 0 ADAERN OCc1ccc(SC2COC2)cc1 86196239 573296620 /nfs/dbraw/zinc/29/66/20/573296620.db2.gz GZDZVCWRNYQCLE-UHFFFAOYSA-N 0 0 196.271 1.670 10 0 ADAERN CC(=O)[C@@H](C)SC1COC1 86195521 573296627 /nfs/dbraw/zinc/29/66/27/573296627.db2.gz SGQGAQGWIROXPH-ZCFIWIBFSA-N 0 0 160.238 1.096 10 0 ADAERN ONCc1c(Cl)ccc2c1CCO2 257998015 573296637 /nfs/dbraw/zinc/29/66/37/573296637.db2.gz BSJRCVLAHDNDAN-UHFFFAOYSA-N 0 0 199.637 1.754 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccsc1 86196784 573296649 /nfs/dbraw/zinc/29/66/49/573296649.db2.gz WFABOUZCIIJBDU-HTRCEHHLSA-N 0 0 154.234 1.976 10 0 ADAERN Cc1cccc2c1[C@@H]([C@@H](C)O)CN2 257998442 573296655 /nfs/dbraw/zinc/29/66/55/573296655.db2.gz BWMZZUYCOCOAMZ-RKDXNWHRSA-N 0 0 177.247 1.885 10 0 ADAERN Cc1cc(N)co1 106066523 573296682 /nfs/dbraw/zinc/29/66/82/573296682.db2.gz YHNKZAGCKQHDQN-UHFFFAOYSA-N 0 0 97.117 1.170 10 0 ADAERN COC(=O)C1=C(O)C[C@H](C(C)C)C1 238335870 573296685 /nfs/dbraw/zinc/29/66/85/573296685.db2.gz MZLCIDLERPVAGQ-SFYZADRCSA-N 0 0 184.235 1.411 10 0 ADAERN Nc1cc(F)ccc1SC1COC1 86194819 573296692 /nfs/dbraw/zinc/29/66/92/573296692.db2.gz NKMSJXUCKGLFOU-UHFFFAOYSA-N 0 0 199.250 1.899 10 0 ADAERN O[C@@H]1CCC[C@H]1SC1COC1 86195430 573296918 /nfs/dbraw/zinc/29/69/18/573296918.db2.gz UDNMDCJSEFKPOL-HTQZYQBOSA-N 0 0 174.265 1.032 10 0 ADAERN Nc1nn2c(c1Cl)CCC2 258622596 573296921 /nfs/dbraw/zinc/29/69/21/573296921.db2.gz WXAKNCKVRQFXJL-UHFFFAOYSA-N 0 0 157.604 1.065 10 0 ADAERN CC(C)(O)c1ccncc1F 116567529 573296930 /nfs/dbraw/zinc/29/69/30/573296930.db2.gz JNJKMILXZXZFDW-UHFFFAOYSA-N 0 0 155.172 1.448 10 0 ADAERN C[C@H]1C[C@]1(O)C1CCCC1 86196869 573296935 /nfs/dbraw/zinc/29/69/35/573296935.db2.gz VFVQDKNPZSDNMG-IONNQARKSA-N 0 0 140.226 1.948 10 0 ADAERN C[C@@H]1C[C@]1(O)CC[C@@H]1CCCO1 86196812 573296956 /nfs/dbraw/zinc/29/69/56/573296956.db2.gz CMZXWPSYQSMUIY-KXUCPTDWSA-N 0 0 170.252 1.717 10 0 ADAERN O[C@@H]1CCCC[C@H]1SC1COC1 86195412 573296980 /nfs/dbraw/zinc/29/69/80/573296980.db2.gz FNPWLWKWUHXIQH-RKDXNWHRSA-N 0 0 188.292 1.422 10 0 ADAERN CO[C@@H](c1cc(C)ccc1O)[C@H](C)O 238336091 573296983 /nfs/dbraw/zinc/29/69/83/573296983.db2.gz XSBILPZIIKVQSH-GZMMTYOYSA-N 0 0 196.246 1.769 10 0 ADAERN Cc1ccc(/C=C(/[NH3+])C(=O)[O-])cc1F 223970894 573297010 /nfs/dbraw/zinc/29/70/10/573297010.db2.gz AWAKHRGKZBDXIM-WEVVVXLNSA-N 0 0 195.193 1.518 10 0 ADAERN CNc1ccc(SC)nn1 238336744 573297016 /nfs/dbraw/zinc/29/70/16/573297016.db2.gz UHBDSSDWLNUODA-UHFFFAOYSA-N 0 0 155.226 1.240 10 0 ADAERN CCc1cc(O)c(OC)cc1C=O 238335736 573297023 /nfs/dbraw/zinc/29/70/23/573297023.db2.gz UTYBCUBPPNHJJW-UHFFFAOYSA-N 0 0 180.203 1.776 10 0 ADAERN COc1ccc(C)c(CO)c1C 116591215 573297027 /nfs/dbraw/zinc/29/70/27/573297027.db2.gz ZHIQTLLKOLBTMH-UHFFFAOYSA-N 0 0 166.220 1.804 10 0 ADAERN CC[C@]1(O)C[C@@H]1C 86196764 573297056 /nfs/dbraw/zinc/29/70/56/573297056.db2.gz QNGGJLIQIQLMQV-WDSKDSINSA-N 0 0 100.161 1.167 10 0 ADAERN Cc1nccn1-c1ccc(N)c(O)c1 74276252 573297066 /nfs/dbraw/zinc/29/70/66/573297066.db2.gz UKZZKDYQLMNTDX-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN Nc1cc(C[C@@H]2CCCCO2)[nH]n1 259406890 573298153 /nfs/dbraw/zinc/29/81/53/573298153.db2.gz XQFTUGZSKUVWCP-QMMMGPOBSA-N 0 0 181.239 1.104 10 0 ADAERN CO[C@H](C)CNc1cc(F)ccc1N 223656315 573298156 /nfs/dbraw/zinc/29/81/56/573298156.db2.gz WOGBVCRSJJAPKC-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN O=Cc1ccccc1SC1COC1 86196170 573298159 /nfs/dbraw/zinc/29/81/59/573298159.db2.gz MMNULELMHHPXBK-UHFFFAOYSA-N 0 0 194.255 1.990 10 0 ADAERN CCc1cc(O)cc(OC(C)=O)c1 238336246 573297690 /nfs/dbraw/zinc/29/76/90/573297690.db2.gz HSWZTEBQJNFCPY-UHFFFAOYSA-N 0 0 180.203 1.880 10 0 ADAERN O=C1CC[C@H]2CCCC[C@H]2OC1 197291366 573298168 /nfs/dbraw/zinc/29/81/68/573298168.db2.gz DHIOQXATVNONAQ-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1cc(SC2COC2)ncc1N 86194880 573297698 /nfs/dbraw/zinc/29/76/98/573297698.db2.gz KPAJDIYBIJMDIY-UHFFFAOYSA-N 0 0 196.275 1.463 10 0 ADAERN CC(C)(O)C1(C)CCC1 259072792 573298170 /nfs/dbraw/zinc/29/81/70/573298170.db2.gz CCAYBESKIACNFB-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1ccn(-c2ccc(N)c(N)c2)n1 74277460 573297700 /nfs/dbraw/zinc/29/77/00/573297700.db2.gz VVTNKPGNPZHXEU-UHFFFAOYSA-N 0 0 188.234 1.345 10 0 ADAERN C[C@H](O)/C=C1/CC[C@@H](C)OC1 401857414 573298177 /nfs/dbraw/zinc/29/81/77/573298177.db2.gz OTBOVWRZHKTBFB-DNQIDNJZSA-N 0 0 156.225 1.493 10 0 ADAERN Nc1cnccc1SC1COC1 86194835 573297733 /nfs/dbraw/zinc/29/77/33/573297733.db2.gz KDLOHHCDIPAACY-UHFFFAOYSA-N 0 0 182.248 1.155 10 0 ADAERN COc1c(O)cc(C2(O)CC2)cc1F 257998854 573297734 /nfs/dbraw/zinc/29/77/34/573297734.db2.gz GEDSWAYZWBSIOY-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN Cc1cc(N)cnc1SC1COC1 86194867 573297752 /nfs/dbraw/zinc/29/77/52/573297752.db2.gz IPACEYRNYZNWIC-UHFFFAOYSA-N 0 0 196.275 1.463 10 0 ADAERN CCc1ccc(OC)c(O)c1CON 257999073 573297763 /nfs/dbraw/zinc/29/77/63/573297763.db2.gz GIXGLHZDJAFMST-UHFFFAOYSA-N 0 0 197.234 1.354 10 0 ADAERN Cc1cnc(SC2COC2)c(N)c1 86194827 573297764 /nfs/dbraw/zinc/29/77/64/573297764.db2.gz VRSABKBVCJQEGY-UHFFFAOYSA-N 0 0 196.275 1.463 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1SC1COC1 86195497 573297805 /nfs/dbraw/zinc/29/78/05/573297805.db2.gz UMBVDANIOYZJTD-MUWHJKNJSA-N 0 0 186.276 1.486 10 0 ADAERN C[NH+](C)[C@@H]1CCC[C@H](CC(=O)[O-])C1 74281308 573297843 /nfs/dbraw/zinc/29/78/43/573297843.db2.gz VQBDLUBCHRKYAV-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccccc1 86196803 573297849 /nfs/dbraw/zinc/29/78/49/573297849.db2.gz LBPUHGCOZGQPED-WPRPVWTQSA-N 0 0 148.205 1.914 10 0 ADAERN CC(C)(O)[C@H]1Cc2cc(F)ccc2N1 258282117 573297853 /nfs/dbraw/zinc/29/78/53/573297853.db2.gz ZPSODXGNNPQQLA-SNVBAGLBSA-N 0 0 195.237 1.933 10 0 ADAERN Cn1cc(C[C@@]2(C)CCC(=O)C2)nn1 236121928 573297856 /nfs/dbraw/zinc/29/78/56/573297856.db2.gz NJOZYQSIELNINA-SNVBAGLBSA-N 0 0 193.250 1.117 10 0 ADAERN C[C@@H]1C[C@@]1(O)[C@@H]1CCCOC1 86196818 573297864 /nfs/dbraw/zinc/29/78/64/573297864.db2.gz VYCRIFHOJZGQQM-HLTSFMKQSA-N 0 0 156.225 1.184 10 0 ADAERN CCc1ccc(OC)c(O)c1CCO 257998991 573297876 /nfs/dbraw/zinc/29/78/76/573297876.db2.gz GGKNVUDZRWNTRF-UHFFFAOYSA-N 0 0 196.246 1.498 10 0 ADAERN Nc1ccc(CSC2COC2)cn1 86196028 573297886 /nfs/dbraw/zinc/29/78/86/573297886.db2.gz HEFTWQWKSCNRSA-UHFFFAOYSA-N 0 0 196.275 1.296 10 0 ADAERN CN(C)[C@H](O)c1ccc2[nH]cnc2c1 259408547 573297892 /nfs/dbraw/zinc/29/78/92/573297892.db2.gz HQCUFAWOWHBKHB-SNVBAGLBSA-N 0 0 191.234 1.115 10 0 ADAERN Cc1ccn(-c2cc(C)c(N)cn2)n1 74277626 573297897 /nfs/dbraw/zinc/29/78/97/573297897.db2.gz RQJOVOOLYWALMA-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN NOCCc1ccc2c(c1)SCO2 257999084 573297904 /nfs/dbraw/zinc/29/79/04/573297904.db2.gz GJHSONXZFUWSSH-UHFFFAOYSA-N 0 0 197.259 1.561 10 0 ADAERN Nc1cccnc1SC1COC1 86194818 573297940 /nfs/dbraw/zinc/29/79/40/573297940.db2.gz DBEYPAFXUKZCGA-UHFFFAOYSA-N 0 0 182.248 1.155 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccsc1 86196787 573297955 /nfs/dbraw/zinc/29/79/55/573297955.db2.gz WFABOUZCIIJBDU-XPUUQOCRSA-N 0 0 154.234 1.976 10 0 ADAERN C[C@@H](O)Cc1cc(F)c(O)c(F)c1 257999011 573297980 /nfs/dbraw/zinc/29/79/80/573297980.db2.gz GHCZWNYEOKMWIS-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN CNc1ccc(SC(N)=O)cc1 238336672 573297993 /nfs/dbraw/zinc/29/79/93/573297993.db2.gz BQFPBATVAJPZAC-UHFFFAOYSA-N 0 0 182.248 1.899 10 0 ADAERN C[NH2+][C@H](C)c1cccc(C(=O)[O-])c1C 238336184 573297999 /nfs/dbraw/zinc/29/79/99/573297999.db2.gz LXLXQPFGQLQQKC-MRVPVSSYSA-N 0 0 193.246 1.974 10 0 ADAERN CCOC(=S)C=C(C)N 211961367 573298011 /nfs/dbraw/zinc/29/80/11/573298011.db2.gz RKICPXONBWPMOW-SNAWJCMRSA-N 0 0 145.227 1.213 10 0 ADAERN CCc1cc(O)cc(C)c1NC=O 238336003 573298038 /nfs/dbraw/zinc/29/80/38/573298038.db2.gz SQAHMBXEPNXMDE-UHFFFAOYSA-N 0 0 179.219 1.831 10 0 ADAERN CC[C@H](C)[N@@H+]1C[C@@H](C(=O)[O-])CC1(C)C 259407557 573298041 /nfs/dbraw/zinc/29/80/41/573298041.db2.gz MQNSRIPFPOTZNH-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H](CO)CNc1ccccn1 259073024 573298044 /nfs/dbraw/zinc/29/80/44/573298044.db2.gz UNRSJWDPVDWCPV-SECBINFHSA-N 0 0 180.251 1.512 10 0 ADAERN Cc1ccc([C@H]([NH3+])C(=O)[O-])c(C)c1O 257998997 573298047 /nfs/dbraw/zinc/29/80/47/573298047.db2.gz GGPCOPFHQBKTIJ-QMMMGPOBSA-N 0 0 195.218 1.093 10 0 ADAERN O=C(Cc1cccnn1)c1ccccn1 259074793 573298056 /nfs/dbraw/zinc/29/80/56/573298056.db2.gz HXOYQRCFNAOFOT-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN Cc1ccc2c(c1C(=O)CN)CCO2 257999081 573298067 /nfs/dbraw/zinc/29/80/67/573298067.db2.gz GJEDZMCWDPDKSQ-UHFFFAOYSA-N 0 0 191.230 1.071 10 0 ADAERN COc1ccc(Cl)c([O-])c1C=O 238336183 573298068 /nfs/dbraw/zinc/29/80/68/573298068.db2.gz OGSJNQZHYRYGBP-UHFFFAOYSA-N 0 0 186.594 1.867 10 0 ADAERN O[C@H]1CCCC[C@@H]1SC1COC1 86195413 573298122 /nfs/dbraw/zinc/29/81/22/573298122.db2.gz FNPWLWKWUHXIQH-IUCAKERBSA-N 0 0 188.292 1.422 10 0 ADAERN CCCc1cc(Cl)c(N)nn1 259405376 573298124 /nfs/dbraw/zinc/29/81/24/573298124.db2.gz JIZYGNHMPHAZNQ-UHFFFAOYSA-N 0 0 171.631 1.665 10 0 ADAERN C[C@H](O)[C@@H]1Cc2cc(O)ccc2S1 258282167 573298125 /nfs/dbraw/zinc/29/81/25/573298125.db2.gz ZPWWOERROWQRNE-WKEGUHRASA-N 0 0 196.271 1.790 10 0 ADAERN CCc1ccc(-n2ncc(N)n2)cc1 74277536 573298127 /nfs/dbraw/zinc/29/81/27/573298127.db2.gz HEGPPDSFOQHZQS-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CO[C@@H](C)CNc1ccc(N)cc1F 223652241 573298134 /nfs/dbraw/zinc/29/81/34/573298134.db2.gz SFQVWSZBQLRDQG-ZETCQYMHSA-N 0 0 198.241 1.855 10 0 ADAERN C[C@@H](O)c1cnc(CCCO)s1 257998715 573298147 /nfs/dbraw/zinc/29/81/47/573298147.db2.gz IKTHUGCTJIMMPR-ZCFIWIBFSA-N 0 0 187.264 1.121 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1SC1COC1 86195495 573298149 /nfs/dbraw/zinc/29/81/49/573298149.db2.gz UMBVDANIOYZJTD-HZGVNTEJSA-N 0 0 186.276 1.486 10 0 ADAERN C[NH+](C)[C@@H]1CCC[C@@H](CC(=O)[O-])C1 74281311 573297676 /nfs/dbraw/zinc/29/76/76/573297676.db2.gz VQBDLUBCHRKYAV-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CC1(C)C[C@]1(CO)c1ccccn1 259077936 573306311 /nfs/dbraw/zinc/30/63/11/573306311.db2.gz YZIXWGZOAFSEFI-NSHDSACASA-N 0 0 177.247 1.742 10 0 ADAERN Cc1ccc([C@H]2COC[C@@H]2O)cc1 687969665 573305786 /nfs/dbraw/zinc/30/57/86/573305786.db2.gz LKKSYLZJSVGJPC-MNOVXSKESA-N 0 0 178.231 1.470 10 0 ADAERN C[C@@H](O)Cc1cccc(CNO)c1 259408349 573305794 /nfs/dbraw/zinc/30/57/94/573305794.db2.gz JOESFJSMTFMSGK-MRVPVSSYSA-N 0 0 181.235 1.089 10 0 ADAERN OCCc1ncc(C2CC2)o1 259075941 573305803 /nfs/dbraw/zinc/30/58/03/573305803.db2.gz CICGWDDHFSRYKS-UHFFFAOYSA-N 0 0 153.181 1.087 10 0 ADAERN CO[C@H]1CC(=O)CCCCC1=O 238340729 573305841 /nfs/dbraw/zinc/30/58/41/573305841.db2.gz RFAPTYCGMAUNBB-VIFPVBQESA-N 0 0 170.208 1.104 10 0 ADAERN CC(C)c1[nH+]c2c(n1C)NCCC2 106489155 573305849 /nfs/dbraw/zinc/30/58/49/573305849.db2.gz XSFINEWNHQCUEF-UHFFFAOYSA-N 0 0 179.267 1.902 10 0 ADAERN COC(C[C@H]1CCC(=O)C1)OC 238340870 573305875 /nfs/dbraw/zinc/30/58/75/573305875.db2.gz NQUIZAJVXNAXDQ-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cnc(C)cn1 86200257 573305890 /nfs/dbraw/zinc/30/58/90/573305890.db2.gz DRGPBGZYUNEWCO-WCBMZHEXSA-N 0 0 178.235 1.403 10 0 ADAERN CC(C)n1ccn(C(F)F)c1=O 124035351 573305902 /nfs/dbraw/zinc/30/59/02/573305902.db2.gz UUSKLPHSXJLBMT-UHFFFAOYSA-N 0 0 176.166 1.626 10 0 ADAERN OCC[C@@H](Nc1cccnn1)C1CC1 308544534 573305906 /nfs/dbraw/zinc/30/59/06/573305906.db2.gz NBLWACJKSRVWGB-SECBINFHSA-N 0 0 193.250 1.050 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1c[nH]nc1C 86199608 573305910 /nfs/dbraw/zinc/30/59/10/573305910.db2.gz UYMJIINNWPDWBD-VXNVDRBHSA-N 0 0 166.224 1.336 10 0 ADAERN C[N@@H+]1CCCC[C@H](C(=O)[O-])[C@@H]1C1CC1 238340635 573305916 /nfs/dbraw/zinc/30/59/16/573305916.db2.gz GXCXRSZNNHLDTD-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1[nH+]c2c(n1C1CC1)NCCC2 106488886 573305929 /nfs/dbraw/zinc/30/59/29/573305929.db2.gz BLAPZBCVQDZJPO-UHFFFAOYSA-N 0 0 177.251 1.885 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1cc(C)nn1C 86200062 573305930 /nfs/dbraw/zinc/30/59/30/573305930.db2.gz VIKCDLTVUORIDX-SCZZXKLOSA-N 0 0 180.251 1.346 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1ccoc1 86200117 573305940 /nfs/dbraw/zinc/30/59/40/573305940.db2.gz FGANBZUCQAVYBN-APPZFPTMSA-N 0 0 152.193 1.897 10 0 ADAERN CC(C)(C)N1C(=O)C[C@H](CO)C1(C)C 259411026 573305947 /nfs/dbraw/zinc/30/59/47/573305947.db2.gz YOYFFJKBQUKPRG-MRVPVSSYSA-N 0 0 199.294 1.404 10 0 ADAERN Cc1sc2nc(N)nn2c1C(C)C 259410877 573305953 /nfs/dbraw/zinc/30/59/53/573305953.db2.gz ZHUBWWCWABNHCD-UHFFFAOYSA-N 0 0 196.279 1.805 10 0 ADAERN CC[C@H]1C[C@]1(O)c1snnc1C 86200085 573305957 /nfs/dbraw/zinc/30/59/57/573305957.db2.gz MPESETOUICXLFU-POYBYMJQSA-N 0 0 184.264 1.464 10 0 ADAERN COC(=O)[C@](C)(NC(C)C)C1CCC1 393583740 573305958 /nfs/dbraw/zinc/30/59/58/573305958.db2.gz BAZPOYQBSQSHJE-LLVKDONJSA-N 0 0 199.294 1.716 10 0 ADAERN CCc1cc(OC)ccc1C(N)=S 238340774 573305962 /nfs/dbraw/zinc/30/59/62/573305962.db2.gz XTMODKVAUNSZJS-UHFFFAOYSA-N 0 0 195.287 1.892 10 0 ADAERN Cc1ccc([C@]2(O)C[C@H]2C)cn1 86198515 573305964 /nfs/dbraw/zinc/30/59/64/573305964.db2.gz KOLDURMRDSTMQI-XCBNKYQSSA-N 0 0 163.220 1.617 10 0 ADAERN C#[N+]c1ccncc1C(=O)[O-] 106564312 573305969 /nfs/dbraw/zinc/30/59/69/573305969.db2.gz BWURIOQFKQKILU-UHFFFAOYSA-N 0 0 148.121 1.331 10 0 ADAERN CCCCCN1CCC[C@@H](O)C1=O 259410059 573305992 /nfs/dbraw/zinc/30/59/92/573305992.db2.gz MWBKRDKNLUOOGU-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN CC[C@@H](C)[C@@H]1NCN(C2CCC2)C1=O 124028105 573305993 /nfs/dbraw/zinc/30/59/93/573305993.db2.gz MVHXVXFODGYEKI-SCZZXKLOSA-N 0 0 196.294 1.343 10 0 ADAERN CCOC(=O)[C@H](C)n1cc(OC)cn1 308544426 573306018 /nfs/dbraw/zinc/30/60/18/573306018.db2.gz NPINIGGJJGOZEG-ZETCQYMHSA-N 0 0 198.222 1.016 10 0 ADAERN C#[N+]c1ccccc1C(=O)[O-] 106564208 573306023 /nfs/dbraw/zinc/30/60/23/573306023.db2.gz LZTISZKVLBHTNN-UHFFFAOYSA-N 0 0 147.133 1.936 10 0 ADAERN Cc1ccc([C@]2(O)C[C@@H]2C)cn1 86198512 573306080 /nfs/dbraw/zinc/30/60/80/573306080.db2.gz KOLDURMRDSTMQI-XVKPBYJWSA-N 0 0 163.220 1.617 10 0 ADAERN CCOC(=O)[C@@H]1CCCn2ccnc21 259606253 573306081 /nfs/dbraw/zinc/30/60/81/573306081.db2.gz DGDJAWATNUVFOM-MRVPVSSYSA-N 0 0 194.234 1.324 10 0 ADAERN CN[C@@H](OC)c1cc(F)ccc1F 259410817 573306082 /nfs/dbraw/zinc/30/60/82/573306082.db2.gz XPBUAABUAVPEDX-VIFPVBQESA-N 0 0 187.189 1.829 10 0 ADAERN CN[C@@H](C)c1noc(-c2ccco2)n1 258000412 573306085 /nfs/dbraw/zinc/30/60/85/573306085.db2.gz MBJSODRZIBXAEA-LURJTMIESA-N 0 0 193.206 1.610 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cnn(C)c1C 86200135 573306105 /nfs/dbraw/zinc/30/61/05/573306105.db2.gz CQMKVORSCBLVSN-PSASIEDQSA-N 0 0 180.251 1.346 10 0 ADAERN Cn1ccc(C[C@H](O)c2ccco2)n1 124027112 573306119 /nfs/dbraw/zinc/30/61/19/573306119.db2.gz RNPBKWYWJBQBBS-VIFPVBQESA-N 0 0 192.218 1.289 10 0 ADAERN O=Cc1ccc(NC(=O)C(F)F)cc1 236141489 573306155 /nfs/dbraw/zinc/30/61/55/573306155.db2.gz IPQAIGSGNVZXIU-UHFFFAOYSA-N 0 0 199.156 1.703 10 0 ADAERN COc1ccc2oc(N(C)C)nc2c1 116784676 573306167 /nfs/dbraw/zinc/30/61/67/573306167.db2.gz XTJBODKPJOJNOZ-UHFFFAOYSA-N 0 0 192.218 1.902 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H]([NH+]2CCCC2)C1 74299357 573306191 /nfs/dbraw/zinc/30/61/91/573306191.db2.gz CSNUGXMKNJDMJJ-DTWKUNHWSA-N 0 0 183.251 1.336 10 0 ADAERN CC(C)[C@](C)(O)Cc1ccn(C)n1 124015859 573306197 /nfs/dbraw/zinc/30/61/97/573306197.db2.gz ODGWMBVTZXRXNU-SNVBAGLBSA-N 0 0 182.267 1.370 10 0 ADAERN CCOC(=O)[C@H](C)C1(C)CC1 259606373 573306238 /nfs/dbraw/zinc/30/62/38/573306238.db2.gz DJRUPHHLXAKYDK-ZETCQYMHSA-N 0 0 156.225 1.986 10 0 ADAERN C[C@H]1C(=O)Nc2cc(N)ccc2C1=O 106604729 573306242 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573308068 /nfs/dbraw/zinc/30/80/68/573308068.db2.gz RBGVGAJGWRJLDA-APPZFPTMSA-N 0 0 164.208 1.094 10 0 ADAERN OC/C=C\[C@@H]1CCCS1 258255367 573308085 /nfs/dbraw/zinc/30/80/85/573308085.db2.gz QWIINYRSHMPXEC-BYXPXVBTSA-N 0 0 144.239 1.431 10 0 ADAERN CC(C)Nc1cc[nH]c1 106621737 573308087 /nfs/dbraw/zinc/30/80/87/573308087.db2.gz ZMNYZONQPOXREO-UHFFFAOYSA-N 0 0 124.187 1.835 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cn[nH]c1 86201120 573308093 /nfs/dbraw/zinc/30/80/93/573308093.db2.gz KHSPHADNUFHVFH-XPUUQOCRSA-N 0 0 152.197 1.027 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1cccnc1OC 86200389 573308097 /nfs/dbraw/zinc/30/80/97/573308097.db2.gz RYVYUNIDWVTVJP-KCJUWKMLSA-N 0 0 193.246 1.708 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cc[nH]n1 86200467 573308115 /nfs/dbraw/zinc/30/81/15/573308115.db2.gz ZJQCPBSAZUQHED-POYBYMJQSA-N 0 0 152.197 1.027 10 0 ADAERN COc1cc(O)c(F)c([C@@H](C)C[NH3+])c1 258253009 573308119 /nfs/dbraw/zinc/30/81/19/573308119.db2.gz XXGKRXQHMTYACM-LURJTMIESA-N 0 0 199.225 1.602 10 0 ADAERN 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ZEKFMAHLCJURFV-NXEZZACHSA-N 0 0 198.310 1.589 10 0 ADAERN COc1cc(C(F)F)c(N)c(N)n1 238346076 573310261 /nfs/dbraw/zinc/31/02/61/573310261.db2.gz CKVZMBVMHFCNAM-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN Cn1ccc2cc(C=O)cc(C#N)c21 259607097 573310265 /nfs/dbraw/zinc/31/02/65/573310265.db2.gz FPJJGSRWWFFFCF-UHFFFAOYSA-N 0 0 184.198 1.862 10 0 ADAERN COc1cncc(N=O)c1 238346822 573310272 /nfs/dbraw/zinc/31/02/72/573310272.db2.gz CUBHGSGPBAYRDS-UHFFFAOYSA-N 0 0 138.126 1.488 10 0 ADAERN COc1cncc(C=O)c1F 238345509 573310278 /nfs/dbraw/zinc/31/02/78/573310278.db2.gz OTSVJVJKJKWJIM-UHFFFAOYSA-N 0 0 155.128 1.042 10 0 ADAERN CCc1cc(C)nc(CC(=O)OC)n1 259081279 573310294 /nfs/dbraw/zinc/31/02/94/573310294.db2.gz LYOUCQRMDMVKIQ-UHFFFAOYSA-N 0 0 194.234 1.063 10 0 ADAERN CCC[C@@H]1N[C@H](CCC)N(C)C1=O 132517085 573310316 /nfs/dbraw/zinc/31/03/16/573310316.db2.gz XPHNOXHFCSDNAM-IUCAKERBSA-N 0 0 184.283 1.343 10 0 ADAERN CNc1cnc(F)cc1Cl 238346071 573310317 /nfs/dbraw/zinc/31/03/17/573310317.db2.gz AGIYKRHDHSBDAT-UHFFFAOYSA-N 0 0 160.579 1.916 10 0 ADAERN C=Cc1c(C)cncc1O 209763219 573310319 /nfs/dbraw/zinc/31/03/19/573310319.db2.gz UKOCRWZFUMEAGW-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN CC(=O)O[C@@H](C)Oc1ccccc1O 238457824 573310341 /nfs/dbraw/zinc/31/03/41/573310341.db2.gz GHKHZWWGPVLDDA-MRVPVSSYSA-N 0 0 196.202 1.680 10 0 ADAERN CCCC[C@@H]1N[C@H](C(C)C)N(C)C1=O 132495874 573310342 /nfs/dbraw/zinc/31/03/42/573310342.db2.gz IMZRFFNUCGJZJN-UWVGGRQHSA-N 0 0 198.310 1.589 10 0 ADAERN COC(=O)/C=C(\C)c1ccc(F)cn1 308343880 573310365 /nfs/dbraw/zinc/31/03/65/573310365.db2.gz MSSCZLZMBODJPB-FNORWQNLSA-N 0 0 195.193 1.797 10 0 ADAERN CC(C)Cc1[nH]cnc1N 106773759 573310382 /nfs/dbraw/zinc/31/03/82/573310382.db2.gz SVRGQONLBGTYNG-UHFFFAOYSA-N 0 0 139.202 1.190 10 0 ADAERN C[C@H](C[NH2+][C@H](C)CCC(=O)[O-])C1CC1 132517546 573311734 /nfs/dbraw/zinc/31/17/34/573311734.db2.gz FWASCDGJYQBQAH-RKDXNWHRSA-N 0 0 199.294 1.875 10 0 ADAERN Nc1ccc(-c2cncs2)nn1 74306212 573311736 /nfs/dbraw/zinc/31/17/36/573311736.db2.gz NMESHKJUTNSYDA-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1o[nH]c2cc(=O)ccc1-2 258627620 573311767 /nfs/dbraw/zinc/31/17/67/573311767.db2.gz XJJRSGRMPIXKJN-UHFFFAOYSA-N 0 0 150.137 1.116 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1snnc1C 86203111 573311781 /nfs/dbraw/zinc/31/17/81/573311781.db2.gz DCXAAWXHDOKNLM-VXNVDRBHSA-N 0 0 198.291 1.854 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cnco1 86203645 573314024 /nfs/dbraw/zinc/31/40/24/573314024.db2.gz XRYUFKYBDIQIBE-CBAPKCEASA-N 0 0 167.208 1.682 10 0 ADAERN C[C@H]1CC[C@@H](COC(=O)C(F)F)O1 308344063 573314030 /nfs/dbraw/zinc/31/40/30/573314030.db2.gz SYJAHUGLKUKOMS-WDSKDSINSA-N 0 0 194.177 1.362 10 0 ADAERN CC(C)/C(=C\[C@H]1CCOC1)CO 86209606 573314032 /nfs/dbraw/zinc/31/40/32/573314032.db2.gz SGFBZLGKMFVOGH-JRZFIGEHSA-N 0 0 170.252 1.598 10 0 ADAERN COc1ccc([C@H](N)C(F)(F)F)[nH]1 238347041 573314040 /nfs/dbraw/zinc/31/40/40/573314040.db2.gz ZFEDAABQYXXOCB-LURJTMIESA-N 0 0 194.156 1.585 10 0 ADAERN C[C@@H]1CNc2cc(CCO)ccc21 258253264 573314044 /nfs/dbraw/zinc/31/40/44/573314044.db2.gz XWTHLMDRRGNAJS-MRVPVSSYSA-N 0 0 177.247 1.750 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cc[nH]n1 86203442 573314045 /nfs/dbraw/zinc/31/40/45/573314045.db2.gz MQVISEZNYGVADE-CBAPKCEASA-N 0 0 166.224 1.417 10 0 ADAERN O=CNc1c(F)cccc1F 77988633 573314050 /nfs/dbraw/zinc/31/40/50/573314050.db2.gz IEBUHTBNPASBGR-UHFFFAOYSA-N 0 0 157.119 1.533 10 0 ADAERN COc1cncc(NC(C)C)c1 238346951 573314058 /nfs/dbraw/zinc/31/40/58/573314058.db2.gz FELDPGQYYFRWKF-UHFFFAOYSA-N 0 0 166.224 1.911 10 0 ADAERN COC[C@@H](CO)c1ccc(Cl)o1 258254079 573314065 /nfs/dbraw/zinc/31/40/65/573314065.db2.gz SUVKUHABCBJNBI-ZCFIWIBFSA-N 0 0 190.626 1.655 10 0 ADAERN CCC[C@H]1C[C@@]1(C)O 86202998 573314090 /nfs/dbraw/zinc/31/40/90/573314090.db2.gz WSXVVIODIONAKH-NKWVEPMBSA-N 0 0 114.188 1.557 10 0 ADAERN CSC(=O)c1ccoc1N 258000960 573314106 /nfs/dbraw/zinc/31/41/06/573314106.db2.gz YZGXQEXVQUJZHO-UHFFFAOYSA-N 0 0 157.194 1.365 10 0 ADAERN C[C@@H]1CC[C@@H](COC(=O)C(F)F)O1 308344061 573314116 /nfs/dbraw/zinc/31/41/16/573314116.db2.gz SYJAHUGLKUKOMS-RITPCOANSA-N 0 0 194.177 1.362 10 0 ADAERN C[C@H](O)Cc1c(O)cccc1O 258000884 573314118 /nfs/dbraw/zinc/31/41/18/573314118.db2.gz LUVKKLUGAMNIRK-LURJTMIESA-N 0 0 168.192 1.021 10 0 ADAERN C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@]1(C)C(=O)[O-] 238346992 573314164 /nfs/dbraw/zinc/31/41/64/573314164.db2.gz XOTZJGBRIJQHSU-QXEWZRGKSA-N 0 0 197.278 1.582 10 0 ADAERN CNC(=O)CCCn1cc(C)c(C)c1 308546045 573314166 /nfs/dbraw/zinc/31/41/66/573314166.db2.gz NZARPANZPMLTHV-UHFFFAOYSA-N 0 0 194.278 1.631 10 0 ADAERN COc1nnc(Cl)cc1C(C)=O 116998396 573314173 /nfs/dbraw/zinc/31/41/73/573314173.db2.gz VXLCINMWUKLJOC-UHFFFAOYSA-N 0 0 186.598 1.341 10 0 ADAERN CN1C[C@@H]2CCCC[C@H]2NC1=S 238347023 573314176 /nfs/dbraw/zinc/31/41/76/573314176.db2.gz SVBCTWKLWWAWMH-JGVFFNPUSA-N 0 0 184.308 1.365 10 0 ADAERN OC1(Cc2ccc3ncoc3c2)CC1 258001355 573314181 /nfs/dbraw/zinc/31/41/81/573314181.db2.gz GNEMNIMNEHHWFY-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN CC(C)/C(=C\[C@@H]1CCCOC1)CO 86209455 573314183 /nfs/dbraw/zinc/31/41/83/573314183.db2.gz ZLFNAQLYZMHXJO-OYUORYAFSA-N 0 0 184.279 1.988 10 0 ADAERN CCc1cc(CC)n(CCC(C)=O)n1 132507179 573314186 /nfs/dbraw/zinc/31/41/86/573314186.db2.gz RUOAIRLUXHGALX-UHFFFAOYSA-N 0 0 194.278 1.987 10 0 ADAERN CCCOC[C@@H](O)[C@H](CC)OC 132522032 573314195 /nfs/dbraw/zinc/31/41/95/573314195.db2.gz PDEKAJKZWCZDRG-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1snnc1C 86203117 573314203 /nfs/dbraw/zinc/31/42/03/573314203.db2.gz DCXAAWXHDOKNLM-CBAPKCEASA-N 0 0 198.291 1.854 10 0 ADAERN COc1ccc([C@H]([NH3+])C(C)C)o1 238346948 573314208 /nfs/dbraw/zinc/31/42/08/573314208.db2.gz YWADMBCDBNCMEW-SECBINFHSA-N 0 0 169.224 1.944 10 0 ADAERN CN1C[C@@H]2CCCC[C@@H]2NC1=S 238346950 573314224 /nfs/dbraw/zinc/31/42/24/573314224.db2.gz SVBCTWKLWWAWMH-YUMQZZPRSA-N 0 0 184.308 1.365 10 0 ADAERN C[C@]1([C@H]2CCCS2)CNC(=O)O1 258625801 573314243 /nfs/dbraw/zinc/31/42/43/573314243.db2.gz WFMJEHSIGZISBF-HTRCEHHLSA-N 0 0 187.264 1.381 10 0 ADAERN Cc1cccc2c1nc(C=O)n2C 74309273 573314247 /nfs/dbraw/zinc/31/42/47/573314247.db2.gz VIVUWIFBQMHMNT-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN CCCC[C@H]1N[C@@H](C(C)C)N(C)C1=O 132495287 573314248 /nfs/dbraw/zinc/31/42/48/573314248.db2.gz IMZRFFNUCGJZJN-NXEZZACHSA-N 0 0 198.310 1.589 10 0 ADAERN COCc1cccc(CNO)c1F 258001225 573314249 /nfs/dbraw/zinc/31/42/49/573314249.db2.gz GKZNZIGBJQURGQ-UHFFFAOYSA-N 0 0 185.198 1.451 10 0 ADAERN C[C@@H](O)Cc1cccc2c1C[C@@H](C)N2 258253255 573314251 /nfs/dbraw/zinc/31/42/51/573314251.db2.gz XWPDAYFAMAKMJX-RKDXNWHRSA-N 0 0 191.274 1.966 10 0 ADAERN CN1C[C@@H]2CCCC[C@@H]2NC1=O 238346934 573314253 /nfs/dbraw/zinc/31/42/53/573314253.db2.gz CRQUFLNJWJQCAB-YUMQZZPRSA-N 0 0 168.240 1.200 10 0 ADAERN CCCCC[NH2+]C[C@@H](CC)C(=O)[O-] 258626351 573314273 /nfs/dbraw/zinc/31/42/73/573314273.db2.gz KALUIAKPKPJROO-SECBINFHSA-N 0 0 187.283 1.877 10 0 ADAERN Nc1nc[nH]c1C1CCCC1 106774022 573314274 /nfs/dbraw/zinc/31/42/74/573314274.db2.gz NQHJXUWSKCIBCK-UHFFFAOYSA-N 0 0 151.213 1.650 10 0 ADAERN COc1ccc(F)c([C@@H](C)NO)c1 238346910 573314284 /nfs/dbraw/zinc/31/42/84/573314284.db2.gz TWOVGFJVJLBYMR-ZCFIWIBFSA-N 0 0 185.198 1.874 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1csnn1 86203366 573314285 /nfs/dbraw/zinc/31/42/85/573314285.db2.gz YRGWPPSFZIOQAG-POYBYMJQSA-N 0 0 184.264 1.546 10 0 ADAERN Cc1ccnn1-c1ncccc1N 74309210 573314290 /nfs/dbraw/zinc/31/42/90/573314290.db2.gz SQAKRZIDMMRZKB-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CONCc1cccc(O)c1SC 258255110 573314344 /nfs/dbraw/zinc/31/43/44/573314344.db2.gz XZKCBWCDLTUMIJ-UHFFFAOYSA-N 0 0 199.275 1.765 10 0 ADAERN CCC[C@@H]1CC[N@H+](C/C=C/C(=O)[O-])C1 132547076 573314347 /nfs/dbraw/zinc/31/43/47/573314347.db2.gz DXKFBCPFNZIALL-RXNUUUNCSA-N 0 0 197.278 1.749 10 0 ADAERN CC(=O)c1nc2cc(N)ccc2o1 74308320 573314350 /nfs/dbraw/zinc/31/43/50/573314350.db2.gz LRLRSHZSGTVCPE-UHFFFAOYSA-N 0 0 176.175 1.613 10 0 ADAERN CCCC[C@H]1N[C@H](C(C)C)N(C)C1=O 132495698 573314382 /nfs/dbraw/zinc/31/43/82/573314382.db2.gz IMZRFFNUCGJZJN-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN CC1(c2cnc(N)o2)CCC1 259415636 573314408 /nfs/dbraw/zinc/31/44/08/573314408.db2.gz SMDSZROPOYKYFC-UHFFFAOYSA-N 0 0 152.197 1.698 10 0 ADAERN COc1ccccc1[C@@]1(CO)C[C@H]1C 259082506 573314416 /nfs/dbraw/zinc/31/44/16/573314416.db2.gz ZUEZVALKGWAVNW-BXKDBHETSA-N 0 0 192.258 1.965 10 0 ADAERN NOCc1coc2c(O)cccc12 258253779 573314417 /nfs/dbraw/zinc/31/44/17/573314417.db2.gz RNACXFKKSOXTBX-UHFFFAOYSA-N 0 0 179.175 1.529 10 0 ADAERN C[C@@]1([C@@H]2CCCS2)CNC(=O)O1 258625811 573314439 /nfs/dbraw/zinc/31/44/39/573314439.db2.gz WFMJEHSIGZISBF-XPUUQOCRSA-N 0 0 187.264 1.381 10 0 ADAERN CCc1cc(CNOC)c(C)cc1O 258001233 573314448 /nfs/dbraw/zinc/31/44/48/573314448.db2.gz GLBMKCVVDPKVJX-UHFFFAOYSA-N 0 0 195.262 1.914 10 0 ADAERN CCC(=O)Cn1nc(CC)cc1CC 132508282 573314452 /nfs/dbraw/zinc/31/44/52/573314452.db2.gz KGWCQULNKIPYIS-UHFFFAOYSA-N 0 0 194.278 1.987 10 0 ADAERN CCc1cc(C)nc(C(C)=O)n1 259079463 573314455 /nfs/dbraw/zinc/31/44/55/573314455.db2.gz LUTAGNWVKWKRNB-UHFFFAOYSA-N 0 0 164.208 1.550 10 0 ADAERN CNC(=O)Cc1ccc(Cl)nc1 116992240 573314457 /nfs/dbraw/zinc/31/44/57/573314457.db2.gz NNSPFVBLCGSSHT-UHFFFAOYSA-N 0 0 184.626 1.024 10 0 ADAERN CC/C(=C\c1ccncc1)CO 86209033 573314461 /nfs/dbraw/zinc/31/44/61/573314461.db2.gz TWKQLXWJSULJAX-VQHVLOKHSA-N 0 0 163.220 1.867 10 0 ADAERN Cc1ccn(-c2cc(C)c(N)o2)n1 74307528 573314462 /nfs/dbraw/zinc/31/44/62/573314462.db2.gz QNSBTQFJXHZVEF-UHFFFAOYSA-N 0 0 177.207 1.664 10 0 ADAERN OCc1ccc(-c2cccnc2)nc1 198092315 573314481 /nfs/dbraw/zinc/31/44/81/573314481.db2.gz OUHUNVCYWTZXFR-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN CNC(=O)N(O)c1c(C)cccc1C 238341092 573324174 /nfs/dbraw/zinc/32/41/74/573324174.db2.gz ITYPKMIYUNYTEK-UHFFFAOYSA-N 0 0 194.234 1.838 10 0 ADAERN COc1c[nH]c(=O)cc1C(F)F 238341625 573323656 /nfs/dbraw/zinc/32/36/56/573323656.db2.gz GIGNYGWVWOXKRF-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN COc1ccc(F)cc1[C@H](O)C(C)=O 106875164 573323670 /nfs/dbraw/zinc/32/36/70/573323670.db2.gz MTXKZRCHLSCFGU-SNVBAGLBSA-N 0 0 198.193 1.457 10 0 ADAERN CNc1ccccc1NC(N)=O 238342217 573323676 /nfs/dbraw/zinc/32/36/76/573323676.db2.gz GCZQOXMHAULYKW-UHFFFAOYSA-N 0 0 165.196 1.219 10 0 ADAERN C[C@@H]1C[C@@H]1c1ccc(CCO)o1 82955002 573323699 /nfs/dbraw/zinc/32/36/99/573323699.db2.gz GJIQMIBGTPVOQF-APPZFPTMSA-N 0 0 166.220 1.938 10 0 ADAERN CCn1nc(N)cc1CC(C)C 258629541 573323707 /nfs/dbraw/zinc/32/37/07/573323707.db2.gz XNIJPCCDLSGXKS-UHFFFAOYSA-N 0 0 167.256 1.684 10 0 ADAERN CC[C@H](O)c1ccc(OC)nc1OC 308553245 573323710 /nfs/dbraw/zinc/32/37/10/573323710.db2.gz YLMCTQYRQPJSKL-QMMMGPOBSA-N 0 0 197.234 1.542 10 0 ADAERN COc1nc(CN)oc1C1CC1 74334453 573323723 /nfs/dbraw/zinc/32/37/23/573323723.db2.gz DAIZOCRGIPWJBE-UHFFFAOYSA-N 0 0 168.196 1.019 10 0 ADAERN C[C@@]12CNc3cccc(c31)NC(=O)C2 117208553 573323738 /nfs/dbraw/zinc/32/37/38/573323738.db2.gz HSLWZBGXXLJSNB-LLVKDONJSA-N 0 0 188.230 1.712 10 0 ADAERN O=Cc1cnc(CC2CC2)s1 74335831 573323755 /nfs/dbraw/zinc/32/37/55/573323755.db2.gz YDCHNOPEKVXTQI-UHFFFAOYSA-N 0 0 167.233 1.908 10 0 ADAERN CN1C[C@H]2CCCC[C@@H]2NC1=S 238352843 573323761 /nfs/dbraw/zinc/32/37/61/573323761.db2.gz SVBCTWKLWWAWMH-SFYZADRCSA-N 0 0 184.308 1.365 10 0 ADAERN Cc1ccc([C@]([NH3+])(C(=O)[O-])C(C)C)o1 106874208 573323764 /nfs/dbraw/zinc/32/37/64/573323764.db2.gz PGXYMAOCROLNFV-JTQLQIEISA-N 0 0 197.234 1.483 10 0 ADAERN CCc1ccccc1OC(N)=O 117263430 573323769 /nfs/dbraw/zinc/32/37/69/573323769.db2.gz QSFFHGOSQUOISK-UHFFFAOYSA-N 0 0 165.192 1.707 10 0 ADAERN OCc1c[nH]c(Cl)c1 211672539 573323783 /nfs/dbraw/zinc/32/37/83/573323783.db2.gz WCRIWDJFYCUGAK-UHFFFAOYSA-N 0 0 131.562 1.160 10 0 ADAERN CC(=O)[C@@H](C)C[C@@H]1CCCC1=O 197319887 573323784 /nfs/dbraw/zinc/32/37/84/573323784.db2.gz IEIWWJBTNOOABJ-CBAPKCEASA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)(C)[C@H]1CONC(=O)O1 258629515 573323792 /nfs/dbraw/zinc/32/37/92/573323792.db2.gz XMFQINHRIGLNNF-RXMQYKEDSA-N 0 0 159.185 1.073 10 0 ADAERN CNc1c(N)c(C)nn1C(C)(C)C 117154838 573323833 /nfs/dbraw/zinc/32/38/33/573323833.db2.gz XXYYFFZKWFJQPG-UHFFFAOYSA-N 0 0 182.271 1.570 10 0 ADAERN COc1ccc(F)cc1C(=O)[C@H](C)O 106875172 573323863 /nfs/dbraw/zinc/32/38/63/573323863.db2.gz CUVGYLSWRCYMLE-LURJTMIESA-N 0 0 198.193 1.398 10 0 ADAERN CCC(=O)CCc1ccc(OC)nn1 308552950 573323870 /nfs/dbraw/zinc/32/38/70/573323870.db2.gz QZASIPJWVZBRND-UHFFFAOYSA-N 0 0 194.234 1.397 10 0 ADAERN CNc1nc(NC(C)(C)C)ncc1F 106875322 573323916 /nfs/dbraw/zinc/32/39/16/573323916.db2.gz OKEDOBOXPBANPO-UHFFFAOYSA-N 0 0 198.245 1.868 10 0 ADAERN Nc1cc(CC(F)(F)F)no1 74338484 573323950 /nfs/dbraw/zinc/32/39/50/573323950.db2.gz PUGFNHDTAUPYBS-UHFFFAOYSA-N 0 0 166.102 1.362 10 0 ADAERN COc1ccc([C@H](O)C(C)=O)cc1F 106875160 573323958 /nfs/dbraw/zinc/32/39/58/573323958.db2.gz UPUYOHGYIFAXFL-SNVBAGLBSA-N 0 0 198.193 1.457 10 0 ADAERN CN1CC(=O)[C@@H]2CCCC[C@@H]2C1 238352883 573323969 /nfs/dbraw/zinc/32/39/69/573323969.db2.gz FRVWVPOTTYODBB-RKDXNWHRSA-N 0 0 167.252 1.307 10 0 ADAERN OCC1=C(Br)CCC1 197317980 573323971 /nfs/dbraw/zinc/32/39/71/573323971.db2.gz TZWYIKFZJLGJEB-UHFFFAOYSA-N 0 0 177.041 1.812 10 0 ADAERN CCC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 82953805 573324089 /nfs/dbraw/zinc/32/40/89/573324089.db2.gz OAEQRIVJCWJKRC-BBBLOLIVSA-N 0 0 199.294 1.463 10 0 ADAERN CCN(C(N)=O)c1ccc(N)cc1C 197314762 573324092 /nfs/dbraw/zinc/32/40/92/573324092.db2.gz BOFKFTFLMIQBEL-UHFFFAOYSA-N 0 0 193.250 1.482 10 0 ADAERN Cc1ccc([C@@]([NH3+])(C(=O)[O-])C(C)C)o1 106874210 573324094 /nfs/dbraw/zinc/32/40/94/573324094.db2.gz PGXYMAOCROLNFV-SNVBAGLBSA-N 0 0 197.234 1.483 10 0 ADAERN COc1cnc(OC(F)(F)F)cn1 238342515 573324128 /nfs/dbraw/zinc/32/41/28/573324128.db2.gz NOXYPKMSMLLJCR-UHFFFAOYSA-N 0 0 194.112 1.384 10 0 ADAERN CCOC[C@@H](C)N[C@H](C)c1ncon1 308548819 573324136 /nfs/dbraw/zinc/32/41/36/573324136.db2.gz WODIWSIBPZBOIL-HTQZYQBOSA-N 0 0 199.254 1.145 10 0 ADAERN C[C@@H]1C[C@H]1c1ccc(CCO)o1 82955004 573324139 /nfs/dbraw/zinc/32/41/39/573324139.db2.gz GJIQMIBGTPVOQF-VXNVDRBHSA-N 0 0 166.220 1.938 10 0 ADAERN Cc1sc2nccn2c1C=O 74337971 573324151 /nfs/dbraw/zinc/32/41/51/573324151.db2.gz NPSAMJFIFGVSCW-UHFFFAOYSA-N 0 0 166.205 1.517 10 0 ADAERN C[C@H](O)CCc1ccc(N(C)C)nc1 308553600 573324163 /nfs/dbraw/zinc/32/41/63/573324163.db2.gz RBONRAPYPNGTPQ-VIFPVBQESA-N 0 0 194.278 1.461 10 0 ADAERN CCO[C@H](CC)[C@@H](O)C(C)C 132604313 573327855 /nfs/dbraw/zinc/32/78/55/573327855.db2.gz TZKTXDSPVXXNCN-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN O=C(CCCO)C1CCSCC1 259606774 573327890 /nfs/dbraw/zinc/32/78/90/573327890.db2.gz DKJLOKLZABFPTH-UHFFFAOYSA-N 0 0 188.292 1.471 10 0 ADAERN CC(=O)[C@H](C)C[C@@H]1CCCC1=O 197319896 573327901 /nfs/dbraw/zinc/32/79/01/573327901.db2.gz IEIWWJBTNOOABJ-APPZFPTMSA-N 0 0 168.236 1.971 10 0 ADAERN COc1cc(C)c(NN)c(OC)c1 259418955 573327917 /nfs/dbraw/zinc/32/79/17/573327917.db2.gz YBHUWNZXGQFOSX-UHFFFAOYSA-N 0 0 182.223 1.298 10 0 ADAERN CO[C@H]1CCC(=O)CC[C@@H]1C 238344248 573327928 /nfs/dbraw/zinc/32/79/28/573327928.db2.gz DWDWRWAVGDKTHI-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN O=C1C[C@H](O)c2ccc(F)cc21 197319179 573327935 /nfs/dbraw/zinc/32/79/35/573327935.db2.gz CZQXSLRAPYFHQY-QMMMGPOBSA-N 0 0 166.151 1.446 10 0 ADAERN Cc1ccc([C@H](NN)N(C)C)c(C)c1 259085711 573327955 /nfs/dbraw/zinc/32/79/55/573327955.db2.gz FURBNDDHQPXUJQ-LLVKDONJSA-N 0 0 193.294 1.327 10 0 ADAERN COc1cncc([C@H](O)C2CCC2)c1 124091271 573327978 /nfs/dbraw/zinc/32/79/78/573327978.db2.gz DBDXPOANIWHCDD-LLVKDONJSA-N 0 0 193.246 1.924 10 0 ADAERN CNC(=O)n1ccc2cc(N)ccc21 143617929 573328024 /nfs/dbraw/zinc/32/80/24/573328024.db2.gz XSGCCGGNYQLISA-UHFFFAOYSA-N 0 0 189.218 1.411 10 0 ADAERN C[NH2+][C@H](C(C)C)[C@H](C(=O)[O-])C(C)C 259085723 573328031 /nfs/dbraw/zinc/32/80/31/573328031.db2.gz CZLGUEKRRUAVCA-RKDXNWHRSA-N 0 0 187.283 1.587 10 0 ADAERN COC(=O)c1cc2c(C)ncnc2o1 259419678 573328045 /nfs/dbraw/zinc/32/80/45/573328045.db2.gz SIBVXBVIPIWLST-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN CC(C)CNC(=O)c1ncc(N)s1 106876882 573328048 /nfs/dbraw/zinc/32/80/48/573328048.db2.gz RLTSDZXSBXVRSH-UHFFFAOYSA-N 0 0 199.279 1.111 10 0 ADAERN Cc1sc(C)c2c1CNCN(C)C2 238343730 573328065 /nfs/dbraw/zinc/32/80/65/573328065.db2.gz YCWMESMSDRHWLO-UHFFFAOYSA-N 0 0 196.319 1.857 10 0 ADAERN CO[C@H]1CCC(=O)CC[C@@H]1OC 238344273 573328082 /nfs/dbraw/zinc/32/80/82/573328082.db2.gz DQBWYPFXUPPSKD-IUCAKERBSA-N 0 0 172.224 1.160 10 0 ADAERN CC1(C)C(CNC=O)C1(C)C 86241381 573328085 /nfs/dbraw/zinc/32/80/85/573328085.db2.gz MOCHDDYGJKJJRD-UHFFFAOYSA-N 0 0 155.241 1.415 10 0 ADAERN Clc1cc2c(nn1)COC2 259418187 573328106 /nfs/dbraw/zinc/32/81/06/573328106.db2.gz SNSRAWNXHLFMFT-UHFFFAOYSA-N 0 0 156.572 1.160 10 0 ADAERN COc1cc(O)cc(F)c1C 143582929 573328118 /nfs/dbraw/zinc/32/81/18/573328118.db2.gz YGFMZMDUXXYPMF-UHFFFAOYSA-N 0 0 156.156 1.848 10 0 ADAERN OCC[C@H](O)c1cc(F)cc(F)c1 143562730 573328167 /nfs/dbraw/zinc/32/81/67/573328167.db2.gz DMLNBGUEIAXQML-VIFPVBQESA-N 0 0 188.173 1.381 10 0 ADAERN Cc1ccc(CCN(C)O)cc1 231436653 573328168 /nfs/dbraw/zinc/32/81/68/573328168.db2.gz KASFWNJWZJBBTE-UHFFFAOYSA-N 0 0 165.236 1.859 10 0 ADAERN NC(=O)CC1C2CCC1CC2 78042599 573328170 /nfs/dbraw/zinc/32/81/70/573328170.db2.gz WDDMFRRFFMNHER-UHFFFAOYSA-N 0 0 153.225 1.298 10 0 ADAERN CO[C@@H]1OC[C@H](CC(C)C)O1 238343082 573328207 /nfs/dbraw/zinc/32/82/07/573328207.db2.gz FHSKJRDLWXJSJR-JGVFFNPUSA-N 0 0 160.213 1.378 10 0 ADAERN CCOC(=O)[C@@H](F)SC(C)C 86242434 573328209 /nfs/dbraw/zinc/32/82/09/573328209.db2.gz YKYPLRHIGXOALT-LURJTMIESA-N 0 0 180.244 1.987 10 0 ADAERN CCc1nc(C)c(C=O)o1 143585910 573328215 /nfs/dbraw/zinc/32/82/15/573328215.db2.gz OOZHMDVEQRSNBK-UHFFFAOYSA-N 0 0 139.154 1.358 10 0 ADAERN CC(C)C(=O)N1CC[C@@H](O)CC1(C)C 106877049 573328222 /nfs/dbraw/zinc/32/82/22/573328222.db2.gz XTWRENKMGKIXTI-SECBINFHSA-N 0 0 199.294 1.404 10 0 ADAERN C[C@@]1(c2ncc(C=O)o2)CCCCO1 258003076 573328223 /nfs/dbraw/zinc/32/82/23/573328223.db2.gz GMJMBUGLLJMIGT-JTQLQIEISA-N 0 0 195.218 1.903 10 0 ADAERN CCc1c(NCCOC)n[nH]c1C 129520970 573328240 /nfs/dbraw/zinc/32/82/40/573328240.db2.gz OZONZFUTWDCCCS-UHFFFAOYSA-N 0 0 183.255 1.339 10 0 ADAERN CNc1ccccc1-c1nnco1 238344000 573328241 /nfs/dbraw/zinc/32/82/41/573328241.db2.gz VFGSYEVRHWQXBM-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN CC[C@](C)(Br)C(N)=O 117248887 573328261 /nfs/dbraw/zinc/32/82/61/573328261.db2.gz DVMSOZXSCFXQIA-YFKPBYRVSA-N 0 0 180.045 1.035 10 0 ADAERN COC(=O)[C@H]1CCC2(CCCC2)[C@H]1O 143572931 573328264 /nfs/dbraw/zinc/32/82/64/573328264.db2.gz SWDGFYQNPMSSKG-IUCAKERBSA-N 0 0 198.262 1.491 10 0 ADAERN Cc1ccc([C@@H](NN)N(C)C)c(C)c1 259085715 573328270 /nfs/dbraw/zinc/32/82/70/573328270.db2.gz FURBNDDHQPXUJQ-NSHDSACASA-N 0 0 193.294 1.327 10 0 ADAERN COc1ccc(Cl)c(C(=O)CN)c1 106877382 573328276 /nfs/dbraw/zinc/32/82/76/573328276.db2.gz NZDZJQBXEXODIA-UHFFFAOYSA-N 0 0 199.637 1.490 10 0 ADAERN CC1(C)C(N2CCC(=O)C2)C1(C)C 86240363 573328277 /nfs/dbraw/zinc/32/82/77/573328277.db2.gz SXDGSVOOIIVEEY-UHFFFAOYSA-N 0 0 181.279 1.696 10 0 ADAERN CCC(=O)Nc1cn(C)nc1C 143609925 573328328 /nfs/dbraw/zinc/32/83/28/573328328.db2.gz CBMASAPHNAZVLH-UHFFFAOYSA-N 0 0 167.212 1.077 10 0 ADAERN C[C@H]1[C@H]2[C@@H]1CCC21OCCO1 143603197 573328346 /nfs/dbraw/zinc/32/83/46/573328346.db2.gz YUBXUCYZDTZDGJ-PRJMDXOYSA-N 0 0 154.209 1.405 10 0 ADAERN CN1C(=O)C(C)(C)c2ccc(O)cc21 143604615 573328358 /nfs/dbraw/zinc/32/83/58/573328358.db2.gz WZADRYDUBBGITL-UHFFFAOYSA-N 0 0 191.230 1.646 10 0 ADAERN CC1(C)C([NH2+]CC(=O)[O-])C1(C)C 86240119 573328379 /nfs/dbraw/zinc/32/83/79/573328379.db2.gz SBVRJQBXCSSSTO-UHFFFAOYSA-N 0 0 171.240 1.095 10 0 ADAERN OC[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 143576615 573328422 /nfs/dbraw/zinc/32/84/22/573328422.db2.gz LVCSLBWBCQDKEH-NWDGAFQWSA-N 0 0 191.274 1.862 10 0 ADAERN NOCCc1cccc2c1CCC2 258002652 573328446 /nfs/dbraw/zinc/32/84/46/573328446.db2.gz LZVOBGOJBOBBCJ-UHFFFAOYSA-N 0 0 177.247 1.608 10 0 ADAERN CNC(=O)c1cccc(O)c1SC 238343246 573328500 /nfs/dbraw/zinc/32/85/00/573328500.db2.gz XSSXXXHYWXYXPP-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN CCOc1ccc2c(n1)CCN2 258631094 573330954 /nfs/dbraw/zinc/33/09/54/573330954.db2.gz XSBVYULXXWHQLL-UHFFFAOYSA-N 0 0 164.208 1.448 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H]1c1nc(=O)o[n-]1 258002959 573330973 /nfs/dbraw/zinc/33/09/73/573330973.db2.gz MHOOPDVWWXVSDR-SSDOTTSWSA-N 0 0 197.238 1.321 10 0 ADAERN CCCC(=O)Nc1cn(C)nc1C 143611005 573330987 /nfs/dbraw/zinc/33/09/87/573330987.db2.gz RIGKWOCBILTWBX-UHFFFAOYSA-N 0 0 181.239 1.467 10 0 ADAERN CNC(=O)OCc1csc(C)n1 238358221 573331000 /nfs/dbraw/zinc/33/10/00/573331000.db2.gz ZRXSWVGXLWTFOD-UHFFFAOYSA-N 0 0 186.236 1.308 10 0 ADAERN CC(C)(C)NC(=O)c1ncc(N)s1 106876892 573331009 /nfs/dbraw/zinc/33/10/09/573331009.db2.gz GDXBLNIILXSWER-UHFFFAOYSA-N 0 0 199.279 1.254 10 0 ADAERN CCN[C@]1(C(=O)OC)CCC[C@H]2C[C@H]21 308550352 573331010 /nfs/dbraw/zinc/33/10/10/573331010.db2.gz PSGDFSKTJPDWKS-IQJOONFLSA-N 0 0 197.278 1.328 10 0 ADAERN CC(C)c1cnc([C@@H](C)N)o1 74342895 573331039 /nfs/dbraw/zinc/33/10/39/573331039.db2.gz QXYLIOIJZRQKIC-ZCFIWIBFSA-N 0 0 154.213 1.818 10 0 ADAERN COc1ccc2c(c1)[C@H](O)[C@H](OC)C2 86244795 573331065 /nfs/dbraw/zinc/33/10/65/573331065.db2.gz WXSDQTPEOHOTRN-MNOVXSKESA-N 0 0 194.230 1.300 10 0 ADAERN Cc1cc(=O)n(-c2ccncc2)[nH]1 117301016 573331079 /nfs/dbraw/zinc/33/10/79/573331079.db2.gz GREUOTCKLJAUPX-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN CC(C)C(=O)N1CC[C@H](O)CC1(C)C 106877046 573331081 /nfs/dbraw/zinc/33/10/81/573331081.db2.gz XTWRENKMGKIXTI-VIFPVBQESA-N 0 0 199.294 1.404 10 0 ADAERN C=C=Cc1ccc(CO)cc1 223027877 573331095 /nfs/dbraw/zinc/33/10/95/573331095.db2.gz OFNWQSONZKXHMW-UHFFFAOYSA-N 0 0 146.189 1.977 10 0 ADAERN CNC(=S)C(=O)Nc1ccccc1 238358208 573331117 /nfs/dbraw/zinc/33/11/17/573331117.db2.gz KXHYRJCTVYWQKK-UHFFFAOYSA-N 0 0 194.259 1.172 10 0 ADAERN COCCn1nccc1[C@H](C)[C@H](C)O 308549273 573331132 /nfs/dbraw/zinc/33/11/32/573331132.db2.gz PFRJJXXDACZGAU-BDAKNGLRSA-N 0 0 198.266 1.014 10 0 ADAERN CCN1CCCC[C@@H]1c1nc(N)no1 258002921 573331141 /nfs/dbraw/zinc/33/11/41/573331141.db2.gz MHDHOVMSZJFXLX-SSDOTTSWSA-N 0 0 196.254 1.199 10 0 ADAERN CC(C)C1CC[C@H](O)[C@@H](O)CC1 143588983 573331160 /nfs/dbraw/zinc/33/11/60/573331160.db2.gz IXGYJKDPDUJUER-UWVGGRQHSA-N 0 0 172.268 1.554 10 0 ADAERN Cn1cnc(Oc2cccc(N)c2)n1 236172152 573331168 /nfs/dbraw/zinc/33/11/68/573331168.db2.gz SPSUXWZCUUBFCA-UHFFFAOYSA-N 0 0 190.206 1.190 10 0 ADAERN COC(=O)[C@@H]1CSCCC12CC2 259608202 573333368 /nfs/dbraw/zinc/33/33/68/573333368.db2.gz DMBQFUPBWQBCFN-ZETCQYMHSA-N 0 0 186.276 1.693 10 0 ADAERN CC1(CNCc2ncon2)CCC1 308349308 573337319 /nfs/dbraw/zinc/33/73/19/573337319.db2.gz XOJKYGQFMITHDC-UHFFFAOYSA-N 0 0 181.239 1.349 10 0 ADAERN Cc1nc(C2CCC2)c[nH]1 259087492 573337364 /nfs/dbraw/zinc/33/73/64/573337364.db2.gz MKXLMICECYQMLS-UHFFFAOYSA-N 0 0 136.198 1.986 10 0 ADAERN OC[C@H]1CCO[C@@H]1C1CCCC1 86251070 573337371 /nfs/dbraw/zinc/33/73/71/573337371.db2.gz VDBWMNHVAJISDI-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN COc1cc(C=O)cc2c1OCCN2 238354720 573337379 /nfs/dbraw/zinc/33/73/79/573337379.db2.gz YNPDUEYSZMMWTE-UHFFFAOYSA-N 0 0 193.202 1.312 10 0 ADAERN COC(OC)c1nc(C)c[nH]1 238355309 573337428 /nfs/dbraw/zinc/33/74/28/573337428.db2.gz FBAHFFWRRXKCKQ-UHFFFAOYSA-N 0 0 156.185 1.010 10 0 ADAERN COc1c(N)cc(C(C)=O)c(O)c1C 238355340 573337435 /nfs/dbraw/zinc/33/74/35/573337435.db2.gz GDEHHOLQLJSGCN-UHFFFAOYSA-N 0 0 195.218 1.494 10 0 ADAERN CC1(C)OCC(C)(C(N)=S)CO1 117396752 573337436 /nfs/dbraw/zinc/33/74/36/573337436.db2.gz MBFWYKOSYFOUAQ-UHFFFAOYSA-N 0 0 189.280 1.062 10 0 ADAERN COc1cc(F)cc2ncnc(N)c12 238354623 573337448 /nfs/dbraw/zinc/33/74/48/573337448.db2.gz CQQZCGAEHZJPHX-UHFFFAOYSA-N 0 0 193.181 1.360 10 0 ADAERN O=C1NC[C@H]2c3ccccc3C[C@@H]12 117444729 573337450 /nfs/dbraw/zinc/33/74/50/573337450.db2.gz GGUUHRCQFGFCQK-ZJUUUORDSA-N 0 0 173.215 1.072 10 0 ADAERN CNC(=O)c1cccc2c1CCC2=O 238354564 573337460 /nfs/dbraw/zinc/33/74/60/573337460.db2.gz KFRIXFMJDMRTQY-UHFFFAOYSA-N 0 0 189.214 1.175 10 0 ADAERN COc1ccc(C(F)F)c(=O)[nH]1 238355911 573337495 /nfs/dbraw/zinc/33/74/95/573337495.db2.gz TUVOMXWENLIKBU-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN CNc1nccc2oc(C)nc12 238355965 573337515 /nfs/dbraw/zinc/33/75/15/573337515.db2.gz FICXRXDTFIEYCM-UHFFFAOYSA-N 0 0 163.180 1.573 10 0 ADAERN COc1cc(C(F)F)nc(N)c1O 238354340 573337557 /nfs/dbraw/zinc/33/75/57/573337557.db2.gz UJZIFNRYGZNWBY-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CCC[NH2+]CC(C)(C)CC(=O)[O-] 258633651 573337592 /nfs/dbraw/zinc/33/75/92/573337592.db2.gz KXJFLTVSDGDJBW-UHFFFAOYSA-N 0 0 173.256 1.487 10 0 ADAERN CC[C@H]1CC(=S)NCCS1 143539955 573337598 /nfs/dbraw/zinc/33/75/98/573337598.db2.gz MSPCELNSDYQJAW-LURJTMIESA-N 0 0 175.322 1.819 10 0 ADAERN CSc1cc(CO)ccc1N 259085896 573337648 /nfs/dbraw/zinc/33/76/48/573337648.db2.gz DFQZKJIMOAWNLB-UHFFFAOYSA-N 0 0 169.249 1.483 10 0 ADAERN C[C@](O)(CC1CCCCC1)C(N)=O 219997179 573337653 /nfs/dbraw/zinc/33/76/53/573337653.db2.gz UAXUIVZMNORTLV-JTQLQIEISA-N 0 0 185.267 1.193 10 0 ADAERN CSCC[C@H](NN)C(C)(C)C 132782107 573338766 /nfs/dbraw/zinc/33/87/66/573338766.db2.gz AHRUDGOZULUASO-ZETCQYMHSA-N 0 0 176.329 1.618 10 0 ADAERN CNC(=O)O/C(C)=C/SC 238355658 573338771 /nfs/dbraw/zinc/33/87/71/573338771.db2.gz GHEGRYHGNSKPQX-SNAWJCMRSA-N 0 0 161.226 1.567 10 0 ADAERN Nc1onc2cccc(F)c12 107079805 573338788 /nfs/dbraw/zinc/33/87/88/573338788.db2.gz GGSKITDBARMIRR-UHFFFAOYSA-N 0 0 152.128 1.549 10 0 ADAERN COc1ccc(C2=CC(=O)NC2)cc1 238355439 573338817 /nfs/dbraw/zinc/33/88/17/573338817.db2.gz LKVODUZHXCCUOK-UHFFFAOYSA-N 0 0 189.214 1.208 10 0 ADAERN Cc1cc(F)ccc1[C@@H]1COC[C@H]1O 687959060 573338871 /nfs/dbraw/zinc/33/88/71/573338871.db2.gz IGTYQBLGLNLPHS-WDEREUQCSA-N 0 0 196.221 1.609 10 0 ADAERN CC(C)(C)c1cc(=NN)o[nH]1 107076811 573338923 /nfs/dbraw/zinc/33/89/23/573338923.db2.gz PMVMEOXZGQHHEW-UHFFFAOYSA-N 0 0 155.201 1.258 10 0 ADAERN CC(C)n1c(=O)oc2cccc(N)c21 74405381 573338925 /nfs/dbraw/zinc/33/89/25/573338925.db2.gz WLGBUQRGHNCVPQ-UHFFFAOYSA-N 0 0 192.218 1.758 10 0 ADAERN CCOCCC[C@H](NN)C(C)(C)C 132774112 573338926 /nfs/dbraw/zinc/33/89/26/573338926.db2.gz SGZYXHWGOFJLHT-VIFPVBQESA-N 0 0 188.315 1.681 10 0 ADAERN O=C1N[C@@H](C(F)(F)F)C12CCC2 107076650 573338931 /nfs/dbraw/zinc/33/89/31/573338931.db2.gz DFXZKMHLWYGHOY-SCSAIBSYSA-N 0 0 179.141 1.217 10 0 ADAERN COc1cc(CON)cc(C)c1C 258005622 573338934 /nfs/dbraw/zinc/33/89/34/573338934.db2.gz MJEKIJMTEVFYBO-UHFFFAOYSA-N 0 0 181.235 1.702 10 0 ADAERN CN(C)c1onc2ccc(N)cc12 107086900 573338944 /nfs/dbraw/zinc/33/89/44/573338944.db2.gz VFDYEEPFMPTUMK-UHFFFAOYSA-N 0 0 177.207 1.476 10 0 ADAERN Cc1cccc(C[C@@H]2COC[C@H]2O)c1 687979306 573338945 /nfs/dbraw/zinc/33/89/45/573338945.db2.gz FKOXQESLOUXHMD-VXGBXAGGSA-N 0 0 192.258 1.545 10 0 ADAERN CCO[C@@H]1C[C@H]1CNCC(F)F 689946580 573338950 /nfs/dbraw/zinc/33/89/50/573338950.db2.gz FCZVBGNCUUAIOA-NKWVEPMBSA-N 0 0 179.210 1.266 10 0 ADAERN COc1ccc2c(c1)N[C@H](N)S2 238355334 573338958 /nfs/dbraw/zinc/33/89/58/573338958.db2.gz UYDYVUDUIZCSPQ-QMMMGPOBSA-N 0 0 182.248 1.455 10 0 ADAERN Nc1onc(-c2cccnc2)c1Cl 107073057 573338960 /nfs/dbraw/zinc/33/89/60/573338960.db2.gz LJSQURJWZQJYDE-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CN(C)C(=O)N[C@H]1CCC12CCCC2 335399864 573338975 /nfs/dbraw/zinc/33/89/75/573338975.db2.gz AAEGXMSUICYARY-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN CNC(=O)c1cnc2c(c1)CCCC2 238355238 573338976 /nfs/dbraw/zinc/33/89/76/573338976.db2.gz RGSQRKQQSNTKBP-UHFFFAOYSA-N 0 0 190.246 1.320 10 0 ADAERN COc1c2c(N)cccc2nn1C 107082526 573338977 /nfs/dbraw/zinc/33/89/77/573338977.db2.gz QCFSQKDDIGPADF-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN COc1c2cc(O)ccc2nn1C 107080729 573338987 /nfs/dbraw/zinc/33/89/87/573338987.db2.gz MCXTUDSIHDOPBQ-UHFFFAOYSA-N 0 0 178.191 1.288 10 0 ADAERN CCC(=O)[C@H](C)N1CC[C@H](F)C1 231504114 573338990 /nfs/dbraw/zinc/33/89/90/573338990.db2.gz UBZCRQVFYGDPDW-YUMQZZPRSA-N 0 0 173.231 1.398 10 0 ADAERN O=c1[nH]cc(-c2ccc[nH]2)[nH]1 259091045 573338992 /nfs/dbraw/zinc/33/89/92/573338992.db2.gz MVALQEHOKFUJCK-UHFFFAOYSA-N 0 0 149.153 1.110 10 0 ADAERN COc1ccc(C(F)(F)CN)cn1 238354132 573338993 /nfs/dbraw/zinc/33/89/93/573338993.db2.gz JQJYCMUGICHVID-UHFFFAOYSA-N 0 0 188.177 1.141 10 0 ADAERN COC(OC)c1ccc(O)cc1O 238354539 573339016 /nfs/dbraw/zinc/33/90/16/573339016.db2.gz PHVAIXZJUSWWNP-UHFFFAOYSA-N 0 0 184.191 1.389 10 0 ADAERN Cn1cnc(Oc2ccnc(F)c2)n1 236176240 573339075 /nfs/dbraw/zinc/33/90/75/573339075.db2.gz YVCTZLOGSWMPET-UHFFFAOYSA-N 0 0 194.169 1.142 10 0 ADAERN CC(C)SCc1[nH]cnc1N 258005586 573339085 /nfs/dbraw/zinc/33/90/85/573339085.db2.gz ZPTOQRNJLALKCT-UHFFFAOYSA-N 0 0 171.269 1.634 10 0 ADAERN CC(=O)Nc1onc(C2CC2)c1N 107076739 573339112 /nfs/dbraw/zinc/33/91/12/573339112.db2.gz WRHGSOWVNXSZQW-UHFFFAOYSA-N 0 0 181.195 1.093 10 0 ADAERN CC(C)(C)c1onc2cc[nH]c(=O)c12 107076722 573339119 /nfs/dbraw/zinc/33/91/19/573339119.db2.gz MGKUQZOJYKPXPE-UHFFFAOYSA-N 0 0 192.218 1.814 10 0 ADAERN NN=c1cc(-c2cccnc2)[nH]o1 107076847 573339125 /nfs/dbraw/zinc/33/91/25/573339125.db2.gz IFSLGFVKRVTNHH-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN COC[C@H](F)C(=O)Nc1ccccc1 238355169 573339137 /nfs/dbraw/zinc/33/91/37/573339137.db2.gz QTZYBMRBWBBTOT-VIFPVBQESA-N 0 0 197.209 1.610 10 0 ADAERN CC(=O)N(C)CCc1cccc(N)c1 308555554 573339144 /nfs/dbraw/zinc/33/91/44/573339144.db2.gz SAUKGEXCWIKTPA-UHFFFAOYSA-N 0 0 192.262 1.290 10 0 ADAERN C[N@@H+]1CC(C(=O)[O-])=C[C@@H]2CCCC[C@@H]21 238355576 573339152 /nfs/dbraw/zinc/33/91/52/573339152.db2.gz ZMPOIMYQYNVGQU-WPRPVWTQSA-N 0 0 195.262 1.502 10 0 ADAERN CCCOCC[C@H](NN)C(C)(C)C 132774977 573339153 /nfs/dbraw/zinc/33/91/53/573339153.db2.gz IPVAJUWSMDYZBI-VIFPVBQESA-N 0 0 188.315 1.681 10 0 ADAERN CCOc1nccc([C@@H](C)NN)c1F 308555134 573339173 /nfs/dbraw/zinc/33/91/73/573339173.db2.gz RTVXUCJNOGXIAZ-ZCFIWIBFSA-N 0 0 199.229 1.144 10 0 ADAERN O=C1N[C@H](C(F)(F)F)C12CCC2 107076652 573339175 /nfs/dbraw/zinc/33/91/75/573339175.db2.gz DFXZKMHLWYGHOY-BYPYZUCNSA-N 0 0 179.141 1.217 10 0 ADAERN CONCc1ccc(C)c(O)c1 258005461 573339184 /nfs/dbraw/zinc/33/91/84/573339184.db2.gz MIKFHSOQPPJALH-UHFFFAOYSA-N 0 0 167.208 1.352 10 0 ADAERN O=C1CC[C@H](O)CN1c1ccccc1 259422017 573339206 /nfs/dbraw/zinc/33/92/06/573339206.db2.gz NLCRMCKMLGCJFS-JTQLQIEISA-N 0 0 191.230 1.174 10 0 ADAERN CCc1ccc(C)c(CON)c1 238355396 573339213 /nfs/dbraw/zinc/33/92/13/573339213.db2.gz ZBNWDNFTSMKFNQ-UHFFFAOYSA-N 0 0 165.236 1.948 10 0 ADAERN CCCCCO[C@H]1CC(=O)[C@H]1OC 132765794 573339224 /nfs/dbraw/zinc/33/92/24/573339224.db2.gz OFAMKJYXYQZODQ-VHSXEESVSA-N 0 0 186.251 1.550 10 0 ADAERN COc1ccc2c(c1)O[C@H](O)C[C@@H]2C 238356004 573339225 /nfs/dbraw/zinc/33/92/25/573339225.db2.gz FGSHJSRYOCUROP-CPCISQLKSA-N 0 0 194.230 1.900 10 0 ADAERN CCC(C)(C)O[C@@H]1CC(=O)[C@H]1OC 132757288 573341468 /nfs/dbraw/zinc/34/14/68/573341468.db2.gz PSLNFEOYSRXGGN-RKDXNWHRSA-N 0 0 186.251 1.548 10 0 ADAERN O=c1[nH]ccc2noc(C3CC3)c12 107076719 573341470 /nfs/dbraw/zinc/34/14/70/573341470.db2.gz MTJOOUOOKYMOOA-UHFFFAOYSA-N 0 0 176.175 1.394 10 0 ADAERN COC[C@H](C)C[C@H](NN)C(C)(C)C 132817690 573341485 /nfs/dbraw/zinc/34/14/85/573341485.db2.gz DFHIWALSQBYDOQ-BDAKNGLRSA-N 0 0 188.315 1.537 10 0 ADAERN C[C@H](O)[C@@H](C)Cc1cncc(F)c1 235563965 573341549 /nfs/dbraw/zinc/34/15/49/573341549.db2.gz ICAVWZONZGTQHW-YUMQZZPRSA-N 0 0 183.226 1.780 10 0 ADAERN OC[C@H]1CCCO[C@H]1C1CCCC1 86251872 573341555 /nfs/dbraw/zinc/34/15/55/573341555.db2.gz OYNIPGAKQZXWGE-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN COc1ccc(C(F)F)nc1N 238356665 573341563 /nfs/dbraw/zinc/34/15/63/573341563.db2.gz RJYMISZYWKKXRR-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN CCOCC[C@@H](NN)C(C)(C)C 132811153 573341566 /nfs/dbraw/zinc/34/15/66/573341566.db2.gz AKAOCJPWEGJIMA-MRVPVSSYSA-N 0 0 174.288 1.291 10 0 ADAERN COc1ccc(C(F)F)nc1CO 238356570 573341573 /nfs/dbraw/zinc/34/15/73/573341573.db2.gz LSBOBFGJYNWSPP-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CON(CC(C)C)c1ccc(N)cn1 308555350 573341579 /nfs/dbraw/zinc/34/15/79/573341579.db2.gz RWBXXGGYUJXMMY-UHFFFAOYSA-N 0 0 195.266 1.688 10 0 ADAERN CC(C)C[NH2+][C@@H](C(=O)[O-])C1CCCC1 50272775 573341581 /nfs/dbraw/zinc/34/15/81/573341581.db2.gz GUDDJZLCVNPECZ-SNVBAGLBSA-N 0 0 199.294 1.875 10 0 ADAERN O=C1N[C@@H](C(F)(F)F)C12CCCC2 107076632 573341590 /nfs/dbraw/zinc/34/15/90/573341590.db2.gz OVKQENCLPSFZMJ-RXMQYKEDSA-N 0 0 193.168 1.608 10 0 ADAERN C[NH2+][C@H](CO)c1c(C)cccc1F 238356673 573341600 /nfs/dbraw/zinc/34/16/00/573341600.db2.gz GALSPLVNUNBKOY-SECBINFHSA-N 0 0 183.226 1.387 10 0 ADAERN COC(=O)[C@@H](NC(C)C)C1CCCC1 50272616 573341605 /nfs/dbraw/zinc/34/16/05/573341605.db2.gz PQBNWDLRPDABRU-JTQLQIEISA-N 0 0 199.294 1.716 10 0 ADAERN CNc1cc(C)no1 107076775 573341616 /nfs/dbraw/zinc/34/16/16/573341616.db2.gz RJYFIIGQUHDIRI-UHFFFAOYSA-N 0 0 112.132 1.025 10 0 ADAERN NOC[C@H]1Cc2c(O)cccc2S1 258307582 573341619 /nfs/dbraw/zinc/34/16/19/573341619.db2.gz VNDLFRDXLCISAQ-ZCFIWIBFSA-N 0 0 197.259 1.299 10 0 ADAERN COc1ccc2[nH]c(=O)sc2c1F 238362664 573341625 /nfs/dbraw/zinc/34/16/25/573341625.db2.gz PPTRRXVXIIFFIW-UHFFFAOYSA-N 0 0 199.206 1.737 10 0 ADAERN COc1nc(C)cc(=O)n1CC(C)C 86254393 573341638 /nfs/dbraw/zinc/34/16/38/573341638.db2.gz GRSRRFLLGTVEQZ-UHFFFAOYSA-N 0 0 196.250 1.216 10 0 ADAERN CCC1=NC(=C2CCC(=O)N=N2)ON1 308351924 573341654 /nfs/dbraw/zinc/34/16/54/573341654.db2.gz FJZPYOQUKWKCIE-VMPITWQZSA-N 0 0 194.194 1.271 10 0 ADAERN OC[C@H]1CCO[C@H]1c1cccc(F)c1 86251264 573341657 /nfs/dbraw/zinc/34/16/57/573341657.db2.gz GRWYVBXBTBSOGA-KOLCDFICSA-N 0 0 196.221 1.896 10 0 ADAERN OC[C@H]1CCCO[C@@H]1c1cccnc1 86251906 573341671 /nfs/dbraw/zinc/34/16/71/573341671.db2.gz QNPUKXKTFVWSCZ-GHMZBOCLSA-N 0 0 193.246 1.542 10 0 ADAERN CO[C@H]1CCc2cccc(=O)cc21 238357671 573341675 /nfs/dbraw/zinc/34/16/75/573341675.db2.gz RPHIWFOXJNYCAG-NSHDSACASA-N 0 0 176.215 1.681 10 0 ADAERN CC(C)c1noc2ncncc12 107073714 573341679 /nfs/dbraw/zinc/34/16/79/573341679.db2.gz RAVRXFAZKJLDPW-UHFFFAOYSA-N 0 0 163.180 1.741 10 0 ADAERN CNc1onc2ccc(N)cc12 107079215 573341686 /nfs/dbraw/zinc/34/16/86/573341686.db2.gz DYDNSNLTKOHJLQ-UHFFFAOYSA-N 0 0 163.180 1.452 10 0 ADAERN CC[C@H](C)[C@H]1OCCC[C@H]1CO 86251787 573341693 /nfs/dbraw/zinc/34/16/93/573341693.db2.gz ANVBNVTWYUHOIH-LPEHRKFASA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)=CCNCc1nnc(C)s1 308352933 573341697 /nfs/dbraw/zinc/34/16/97/573341697.db2.gz ZKVXQMTWPDMGRY-UHFFFAOYSA-N 0 0 197.307 1.902 10 0 ADAERN Cc1cccc2[nH]cc(CON)c12 258305479 573341713 /nfs/dbraw/zinc/34/17/13/573341713.db2.gz VLDZHFAVVVHIDR-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN COc1ccc(C2=NCN[C@@H]2C)cc1 238356317 573341727 /nfs/dbraw/zinc/34/17/27/573341727.db2.gz DGBXAJGFNAJOPQ-MRVPVSSYSA-N 0 0 190.246 1.434 10 0 ADAERN COc1c2cc(F)ccc2nn1C 107083132 573341751 /nfs/dbraw/zinc/34/17/51/573341751.db2.gz FHLLFDZFOXHQPP-UHFFFAOYSA-N 0 0 180.182 1.721 10 0 ADAERN CC[C@H]1OCCC[C@@H]1CO 86251743 573341754 /nfs/dbraw/zinc/34/17/54/573341754.db2.gz VNJGZMOLQKMTJL-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN COC(=O)c1ccn(C2CC2)n1 143657198 573341758 /nfs/dbraw/zinc/34/17/58/573341758.db2.gz XSTBPLGCVQKIJX-UHFFFAOYSA-N 0 0 166.180 1.005 10 0 ADAERN CCOC(=O)CNC[C@@H](C)C1CC1 132817498 573341769 /nfs/dbraw/zinc/34/17/69/573341769.db2.gz UJCFLKDHDXDTJZ-MRVPVSSYSA-N 0 0 185.267 1.185 10 0 ADAERN COc1nc(C(F)(F)F)cnc1N 238357515 573341814 /nfs/dbraw/zinc/34/18/14/573341814.db2.gz ADSWHJFNPLPWBR-UHFFFAOYSA-N 0 0 193.128 1.086 10 0 ADAERN COC(=O)C[C@H](C)C(=O)[C@@]1(C)C[C@@H]1C 714673914 573341826 /nfs/dbraw/zinc/34/18/26/573341826.db2.gz DNOCAVYVKZUNOT-LAEOZQHASA-N 0 0 198.262 1.801 10 0 ADAERN CO[C@@H]1CCc2c(N)cccc2C1 238362878 573341838 /nfs/dbraw/zinc/34/18/38/573341838.db2.gz JDOCCBIDJXSBIY-SECBINFHSA-N 0 0 177.247 1.773 10 0 ADAERN CC(C)(C)[C@@H]1OCC[C@H]1CO 86251522 573341840 /nfs/dbraw/zinc/34/18/40/573341840.db2.gz ZYEKLZQUYBWAGN-JGVFFNPUSA-N 0 0 158.241 1.430 10 0 ADAERN OCc1ccccc1-c1cc[nH]n1 84845515 573341859 /nfs/dbraw/zinc/34/18/59/573341859.db2.gz LHKAGCARUJWEAC-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN CC(C)[C@@H]1OCC[C@@H]1CO 86251395 573341860 /nfs/dbraw/zinc/34/18/60/573341860.db2.gz VHBJQLXJJFKUJH-SFYZADRCSA-N 0 0 144.214 1.040 10 0 ADAERN CN1CC2(CCCCC2)CNC1=O 238356073 573341863 /nfs/dbraw/zinc/34/18/63/573341863.db2.gz FKCDBLRSBSRSOY-UHFFFAOYSA-N 0 0 182.267 1.592 10 0 ADAERN OCc1cccc2c1NCCS2 259423928 573341882 /nfs/dbraw/zinc/34/18/82/573341882.db2.gz YRJGGJCGPLCSKA-UHFFFAOYSA-N 0 0 181.260 1.697 10 0 ADAERN CCCCCc1nnc([C@@H](C)N)o1 50284236 573341899 /nfs/dbraw/zinc/34/18/99/573341899.db2.gz MHAHYLRHYJLTIW-SSDOTTSWSA-N 0 0 183.255 1.822 10 0 ADAERN FCCNCc1cn2ccccc2n1 308555469 573341914 /nfs/dbraw/zinc/34/19/14/573341914.db2.gz RYNGKHKODHVRFR-UHFFFAOYSA-N 0 0 193.225 1.393 10 0 ADAERN CC(C)(C)c1noc(N)c1C=O 107073443 573341935 /nfs/dbraw/zinc/34/19/35/573341935.db2.gz QZXQRCUZPLCKQB-UHFFFAOYSA-N 0 0 168.196 1.367 10 0 ADAERN Nc1onc2ccc(O)cc12 107077244 573341945 /nfs/dbraw/zinc/34/19/45/573341945.db2.gz DFNXVPPKXPDICO-UHFFFAOYSA-N 0 0 150.137 1.116 10 0 ADAERN COC(=O)[C@H](NC(C)C)C1CCCC1 50272617 573341951 /nfs/dbraw/zinc/34/19/51/573341951.db2.gz PQBNWDLRPDABRU-SNVBAGLBSA-N 0 0 199.294 1.716 10 0 ADAERN Cc1cnnc(S[C@H](C)[C@H](C)O)c1 235560647 573341977 /nfs/dbraw/zinc/34/19/77/573341977.db2.gz PLPHMKZROQVRMX-JGVFFNPUSA-N 0 0 198.291 1.646 10 0 ADAERN COc1n[nH]c2cccc(N)c12 107082520 573341982 /nfs/dbraw/zinc/34/19/82/573341982.db2.gz OUPBZBGRQZKSKJ-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN CCCOC[C@H](O)c1ccncc1C 132824127 573341984 /nfs/dbraw/zinc/34/19/84/573341984.db2.gz ZANVGVXTNRHRHI-NSHDSACASA-N 0 0 195.262 1.850 10 0 ADAERN COCC(=O)C[N@@H+]1CC2CCC1CC2 393662680 573341988 /nfs/dbraw/zinc/34/19/88/573341988.db2.gz ATLDMJKOWZBDKO-UHFFFAOYSA-N 0 0 197.278 1.076 10 0 ADAERN CC(C)C[N@@H+]1CC/C(=C/C(=O)[O-])C1 259091621 573342005 /nfs/dbraw/zinc/34/20/05/573342005.db2.gz DTDMRUIBPPLSJP-UITAMQMPSA-N 0 0 183.251 1.359 10 0 ADAERN CC[C@H]1N[C@H](C)C(=O)N1C1CCC1 124153755 573342021 /nfs/dbraw/zinc/34/20/21/573342021.db2.gz RMNXWEHFTWPBIJ-APPZFPTMSA-N 0 0 182.267 1.095 10 0 ADAERN Nc1onc(-c2ccccn2)c1Cl 107073053 573341457 /nfs/dbraw/zinc/34/14/57/573341457.db2.gz AOZFELQRPPOUJG-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN COC(=O)[C@@H](C)CC(=O)C1CCCC1 50271532 573343843 /nfs/dbraw/zinc/34/38/43/573343843.db2.gz IJSOFCWIFYATDE-QMMMGPOBSA-N 0 0 198.262 1.945 10 0 ADAERN CO[C@H]1CC[C@H](O)C12CCCC2 238356445 573343846 /nfs/dbraw/zinc/34/38/46/573343846.db2.gz SPQFOMNDJZDPBN-IUCAKERBSA-N 0 0 170.252 1.717 10 0 ADAERN CO[C@H]1C(=O)C[C@@H]1OCCC(C)C 132735697 573343277 /nfs/dbraw/zinc/34/32/77/573343277.db2.gz VJFXWBPTXKHXAG-UWVGGRQHSA-N 0 0 186.251 1.406 10 0 ADAERN COC(=O)C(=O)C1(F)CCCC1 238356172 573343279 /nfs/dbraw/zinc/34/32/79/573343279.db2.gz PFCUGDIXYIQIBQ-UHFFFAOYSA-N 0 0 174.171 1.011 10 0 ADAERN CCc1c([C@@H]2C[C@@H]2OC)noc1N 689947246 573343290 /nfs/dbraw/zinc/34/32/90/573343290.db2.gz XGQPGDJLQADQRN-RQJHMYQMSA-N 0 0 182.223 1.322 10 0 ADAERN C[C@@H](C[NH2+]C[C@H](C)C1CC1)C(=O)[O-] 132819057 573343300 /nfs/dbraw/zinc/34/33/00/573343300.db2.gz WNAQOLJEIQPDFD-YUMQZZPRSA-N 0 0 185.267 1.343 10 0 ADAERN CC[C@H](C)[C@@](C)([NH2+]CC1CC1)C(=O)[O-] 308555723 573343305 /nfs/dbraw/zinc/34/33/05/573343305.db2.gz SCMHBSRQUWYWSC-GZMMTYOYSA-N 0 0 199.294 1.875 10 0 ADAERN CCCC(=O)CN1C(=O)CC[C@@H]1C 308350602 573343306 /nfs/dbraw/zinc/34/33/06/573343306.db2.gz YDOSVMQQGPFKQK-QMMMGPOBSA-N 0 0 183.251 1.367 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])C1CCCC1 50272609 573343346 /nfs/dbraw/zinc/34/33/46/573343346.db2.gz KOAPTFSEKNCCIQ-MRVPVSSYSA-N 0 0 171.240 1.239 10 0 ADAERN Cc1cc(C)c(CCCO)c(O)c1 258005006 573343368 /nfs/dbraw/zinc/34/33/68/573343368.db2.gz MFEMUBVUTMLZOS-UHFFFAOYSA-N 0 0 180.247 1.934 10 0 ADAERN CC(C)=CCOC(=O)c1csnn1 308351604 573343384 /nfs/dbraw/zinc/34/33/84/573343384.db2.gz YRCYFLCTXHZUKH-UHFFFAOYSA-N 0 0 198.247 1.661 10 0 ADAERN CC(C)[C@H]1N[C@@H](C)C(=O)N1C1CCC1 124153282 573343388 /nfs/dbraw/zinc/34/33/88/573343388.db2.gz CXHYZPZQJRECMQ-WPRPVWTQSA-N 0 0 196.294 1.341 10 0 ADAERN CCC(CC)c1nnc([C@@H](C)N)o1 50284242 573343390 /nfs/dbraw/zinc/34/33/90/573343390.db2.gz XPYCAKFCVYNVLY-ZCFIWIBFSA-N 0 0 183.255 1.993 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]1(O)CO 235563062 573343391 /nfs/dbraw/zinc/34/33/91/573343391.db2.gz BNMLIXOCHVRPQU-IONNQARKSA-N 0 0 158.241 1.166 10 0 ADAERN OCc1n[nH]nc1-c1cccc(F)c1 258634523 573343401 /nfs/dbraw/zinc/34/34/01/573343401.db2.gz LFGLWYKHJBRWAB-UHFFFAOYSA-N 0 0 193.181 1.103 10 0 ADAERN Fc1cccc2c1NC[C@]21CCOC1 236181956 573343413 /nfs/dbraw/zinc/34/34/13/573343413.db2.gz QPEPZZJSOMLAIX-NSHDSACASA-N 0 0 193.221 1.909 10 0 ADAERN CC[C@@H]1N[C@@H](C)C(=O)N1C1CCC1 124154031 573343418 /nfs/dbraw/zinc/34/34/18/573343418.db2.gz RMNXWEHFTWPBIJ-IONNQARKSA-N 0 0 182.267 1.095 10 0 ADAERN COc1nc(C(F)F)c(O)cc1N 238362411 573343428 /nfs/dbraw/zinc/34/34/28/573343428.db2.gz CWZMCOURBDPEDA-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CCC(C)(C)O[C@@H]1CC(=O)[C@@H]1OC 132756836 573343436 /nfs/dbraw/zinc/34/34/36/573343436.db2.gz PSLNFEOYSRXGGN-BDAKNGLRSA-N 0 0 186.251 1.548 10 0 ADAERN CCOc1nccc([C@H](C)NN)c1F 308555133 573343441 /nfs/dbraw/zinc/34/34/41/573343441.db2.gz RTVXUCJNOGXIAZ-LURJTMIESA-N 0 0 199.229 1.144 10 0 ADAERN COC(=O)C/C=C\C1CCC1 258292176 573343447 /nfs/dbraw/zinc/34/34/47/573343447.db2.gz UAIXGYDBZGUKER-UTCJRWHESA-N 0 0 154.209 1.906 10 0 ADAERN OC[C@H]1CCO[C@H]1c1ccc(F)cc1 86251127 573343460 /nfs/dbraw/zinc/34/34/60/573343460.db2.gz XTEZGPDIICIUIX-KOLCDFICSA-N 0 0 196.221 1.896 10 0 ADAERN CCN[C@H](C(=O)OC)C1CCCC1 50272620 573343471 /nfs/dbraw/zinc/34/34/71/573343471.db2.gz XMKGCGCGQZDZFF-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN COc1ccc(C2=NO[C@@H](O)C2)cc1 238356676 573343473 /nfs/dbraw/zinc/34/34/73/573343473.db2.gz CDDNLSGJGHKZFF-SNVBAGLBSA-N 0 0 193.202 1.138 10 0 ADAERN COc1ccc(C(F)F)nc1C=O 238356385 573343477 /nfs/dbraw/zinc/34/34/77/573343477.db2.gz VXWKXRXZDUYBLO-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CN(CCc1cc[nH]c1)C(=O)S 258634442 573343519 /nfs/dbraw/zinc/34/35/19/573343519.db2.gz FCZTVJQJXDUNBE-UHFFFAOYSA-N 0 0 184.264 1.539 10 0 ADAERN Cc1cnccc1[C@H](O)COC(C)C 132824527 573343539 /nfs/dbraw/zinc/34/35/39/573343539.db2.gz VLCBELJUCVCZDW-LLVKDONJSA-N 0 0 195.262 1.848 10 0 ADAERN COC(=O)c1cc(F)c(O)cc1O 238362678 573343550 /nfs/dbraw/zinc/34/35/50/573343550.db2.gz CTEVUNYFUPMDLQ-UHFFFAOYSA-N 0 0 186.138 1.024 10 0 ADAERN CC[C@@H]1OCCC[C@H]1CO 86251741 573343566 /nfs/dbraw/zinc/34/35/66/573343566.db2.gz VNJGZMOLQKMTJL-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc([C@@H](C)N)o1 50284239 573343575 /nfs/dbraw/zinc/34/35/75/573343575.db2.gz INFMBJAQCISFLP-JKUQZMGJSA-N 0 0 167.212 1.213 10 0 ADAERN COC(=O)C/C=C\c1ccc(O)cc1 258290152 573343580 /nfs/dbraw/zinc/34/35/80/573343580.db2.gz TWLPAFMBOYURAP-IHWYPQMZSA-N 0 0 192.214 1.969 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])C1CCCC1 50272613 573343587 /nfs/dbraw/zinc/34/35/87/573343587.db2.gz QCBNAUJERLGRAF-SECBINFHSA-N 0 0 185.267 1.628 10 0 ADAERN CC(C)(C)[C@H]1OCC[C@@H]1CO 86251524 573343598 /nfs/dbraw/zinc/34/35/98/573343598.db2.gz ZYEKLZQUYBWAGN-SFYZADRCSA-N 0 0 158.241 1.430 10 0 ADAERN COc1c(C)cc(C)c(C(N)=O)c1C 238357645 573343610 /nfs/dbraw/zinc/34/36/10/573343610.db2.gz CENKUOGAAWZJCV-UHFFFAOYSA-N 0 0 193.246 1.719 10 0 ADAERN CCN[C@H](C(=O)OCC)C1CCCC1 50272622 573343618 /nfs/dbraw/zinc/34/36/18/573343618.db2.gz NQXHYVCHUYDHNY-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN CCN[C@@H](C(=O)OCC)C1CCCC1 50272623 573343627 /nfs/dbraw/zinc/34/36/27/573343627.db2.gz NQXHYVCHUYDHNY-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN COC[C@@H](C)C[C@@H](NN)C(C)(C)C 132817900 573343631 /nfs/dbraw/zinc/34/36/31/573343631.db2.gz DFHIWALSQBYDOQ-DTWKUNHWSA-N 0 0 188.315 1.537 10 0 ADAERN CO[C@H]1CC[C@](C)(C(C)=O)O1 238357139 573343653 /nfs/dbraw/zinc/34/36/53/573343653.db2.gz RZHQFRXLPMOJLO-HTQZYQBOSA-N 0 0 158.197 1.117 10 0 ADAERN COc1nc(N)nc2ccc(F)cc12 214709824 573343662 /nfs/dbraw/zinc/34/36/62/573343662.db2.gz XQBPUNPTVRPKCS-UHFFFAOYSA-N 0 0 193.181 1.360 10 0 ADAERN CO[C@@H]1C(=O)C[C@@H]1OCCC(C)C 132736086 573343702 /nfs/dbraw/zinc/34/37/02/573343702.db2.gz VJFXWBPTXKHXAG-VHSXEESVSA-N 0 0 186.251 1.406 10 0 ADAERN COc1ccc(C2=NO[C@H](C)N2)cc1 238356717 573343716 /nfs/dbraw/zinc/34/37/16/573343716.db2.gz BNHLHRXWAGPDPA-SSDOTTSWSA-N 0 0 192.218 1.323 10 0 ADAERN CC[C@](O)(CO)Cc1ccccc1 132802357 573343717 /nfs/dbraw/zinc/34/37/17/573343717.db2.gz FKKQTTOHODUQAN-LLVKDONJSA-N 0 0 180.247 1.363 10 0 ADAERN COc1ccc2c3c([nH]nc13)CC2 238356113 573343721 /nfs/dbraw/zinc/34/37/21/573343721.db2.gz POKRXQRNUTUFSR-UHFFFAOYSA-N 0 0 174.203 1.670 10 0 ADAERN CC(C)[C@@H]1OCC[C@H]1CO 86251391 573343723 /nfs/dbraw/zinc/34/37/23/573343723.db2.gz VHBJQLXJJFKUJH-YUMQZZPRSA-N 0 0 144.214 1.040 10 0 ADAERN C/C=C/C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C 86258796 573343735 /nfs/dbraw/zinc/34/37/35/573343735.db2.gz ALRCEXFATIFGJG-DXMIZCBPSA-N 0 0 183.251 1.358 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2c(F)cccc2N1 258307697 573343765 /nfs/dbraw/zinc/34/37/65/573343765.db2.gz VOMUQXPEJSAOTC-LDWIPMOCSA-N 0 0 181.210 1.543 10 0 ADAERN CC(C)C[C@@H]1OCCC[C@@H]1CO 86252281 573343770 /nfs/dbraw/zinc/34/37/70/573343770.db2.gz HGJJWUCHAIFLFD-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN OC[C@H]1CCO[C@@H]1Cc1ccccc1 86251349 573343775 /nfs/dbraw/zinc/34/37/75/573343775.db2.gz ACVXDHIWYGAFDF-VXGBXAGGSA-N 0 0 192.258 1.627 10 0 ADAERN CC[C@](C)(O)Cn1cc(C(C)=O)cn1 308556598 573343783 /nfs/dbraw/zinc/34/37/83/573343783.db2.gz SSAGWRBSPMQNDE-JTQLQIEISA-N 0 0 196.250 1.247 10 0 ADAERN COC(=O)/C=C\Sc1nccn1C 211947534 573343795 /nfs/dbraw/zinc/34/37/95/573343795.db2.gz BMXSAFIKSGPQPI-UTCJRWHESA-N 0 0 198.247 1.199 10 0 ADAERN Clc1ncc([C@@H]2CCOC2)o1 258491696 573343816 /nfs/dbraw/zinc/34/38/16/573343816.db2.gz JIFXOFGWUZYHOI-RXMQYKEDSA-N 0 0 173.599 1.832 10 0 ADAERN CO[C@@H]1C(=O)C[C@@H]1OCC1CCCC1 132801470 573343819 /nfs/dbraw/zinc/34/38/19/573343819.db2.gz 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AWIFRVUBXWUBRA-UHFFFAOYSA-N 0 0 128.200 1.288 10 0 ADAERN CC(C)CC[C@H](NN)c1ncc[nH]1 129590377 573344529 /nfs/dbraw/zinc/34/45/29/573344529.db2.gz LXRRRYRBGLQDKA-QMMMGPOBSA-N 0 0 182.271 1.350 10 0 ADAERN C[C@@H](CO)c1cnc([C@@H]2CCOC2)o1 258287971 573344530 /nfs/dbraw/zinc/34/45/30/573344530.db2.gz YWPDBIRWVMMZHS-JGVFFNPUSA-N 0 0 197.234 1.274 10 0 ADAERN CC(C)=CCOC(=O)CCCCO 308353896 573344535 /nfs/dbraw/zinc/34/45/35/573344535.db2.gz ZZLWJQBVWUZVPF-UHFFFAOYSA-N 0 0 186.251 1.658 10 0 ADAERN CCCC[NH2+]C[C@@H](CC)CC(=O)[O-] 308353812 573344543 /nfs/dbraw/zinc/34/45/43/573344543.db2.gz ZVYSEVFXLKVINW-VIFPVBQESA-N 0 0 187.283 1.877 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)OC(C)(C)C 124152642 573344554 /nfs/dbraw/zinc/34/45/54/573344554.db2.gz FPPQJVTUFKOQGH-JGVFFNPUSA-N 0 0 186.251 1.753 10 0 ADAERN COC(=O)c1oc2ccsc2c1N 259422647 573344558 /nfs/dbraw/zinc/34/45/58/573344558.db2.gz ILRIOBRYNNAGBD-UHFFFAOYSA-N 0 0 197.215 1.863 10 0 ADAERN CCc1ccc(C)c2c1C(=O)C(=O)N2 238356177 573344588 /nfs/dbraw/zinc/34/45/88/573344588.db2.gz WHZIKECUKMZKNV-UHFFFAOYSA-N 0 0 189.214 1.692 10 0 ADAERN CN1CCC(c2ccccc2)=NC1=O 238357003 573344612 /nfs/dbraw/zinc/34/46/12/573344612.db2.gz DNFZFZVAMQWVAA-UHFFFAOYSA-N 0 0 188.230 1.683 10 0 ADAERN COCCNc1ccc(N)c(F)c1 259091893 573344613 /nfs/dbraw/zinc/34/46/13/573344613.db2.gz YZPLYDSWERZHSR-UHFFFAOYSA-N 0 0 184.214 1.466 10 0 ADAERN OC[C@@H]1CCCO[C@@H]1C1CCCC1 86251867 573344619 /nfs/dbraw/zinc/34/46/19/573344619.db2.gz OYNIPGAKQZXWGE-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN CCOC[C@H]1C[NH2+][C@H](C2CCC2)CO1 717617218 573344625 /nfs/dbraw/zinc/34/46/25/573344625.db2.gz YZQFDYVZDATSPT-MNOVXSKESA-N 0 0 199.294 1.180 10 0 ADAERN CCN(CC)C(=N)c1ncc(C)cn1 132751733 573344636 /nfs/dbraw/zinc/34/46/36/573344636.db2.gz LMMOEDBHFUDJGZ-UHFFFAOYSA-N 0 0 192.266 1.452 10 0 ADAERN C[C@@H](F)C1(CC(=O)[O-])CC[NH2+]CC1 259609627 573344645 /nfs/dbraw/zinc/34/46/45/573344645.db2.gz DOZZYHAJDSALOH-SSDOTTSWSA-N 0 0 189.230 1.189 10 0 ADAERN 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170.300 1.911 10 0 ADAERN O=C1CC2(CCC(CCO)CC2)CN1 215168188 573344956 /nfs/dbraw/zinc/34/49/56/573344956.db2.gz BAJSVLXJFKSUQL-UHFFFAOYSA-N 0 0 197.278 1.065 10 0 ADAERN OC[C@@H]1Oc2ccc(Cl)cc2O1 258308762 573344959 /nfs/dbraw/zinc/34/49/59/573344959.db2.gz SXZFBWAPQKKLLR-MRVPVSSYSA-N 0 0 186.594 1.430 10 0 ADAERN NOCc1cc2c(F)cccc2o1 258287682 573344974 /nfs/dbraw/zinc/34/49/74/573344974.db2.gz UFSPJHLLLYGFNL-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN CNC(=O)n1cc(Cl)c(C)n1 238356450 573344984 /nfs/dbraw/zinc/34/49/84/573344984.db2.gz ZHZUESNTMFVDTN-UHFFFAOYSA-N 0 0 173.603 1.032 10 0 ADAERN C[C@H]([NH2+]CC1CCCC1)c1nnn[n-]1 50272005 573345001 /nfs/dbraw/zinc/34/50/01/573345001.db2.gz MGPTVKICBKOQEP-ZETCQYMHSA-N 0 0 195.270 1.041 10 0 ADAERN Cc1coc([C@@H](O)[C@@H](O)C(C)C)c1 715775606 573345010 /nfs/dbraw/zinc/34/50/10/573345010.db2.gz BXRSMPQGGJJKEA-VHSXEESVSA-N 0 0 184.235 1.638 10 0 ADAERN O=C1C[C@@]2(CCCC[C@@H]2CCO)CN1 215168349 573345013 /nfs/dbraw/zinc/34/50/13/573345013.db2.gz 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238362969 573346074 /nfs/dbraw/zinc/34/60/74/573346074.db2.gz LBIBNWCBPMBTNE-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CCC(C)(C)O[C@H]1CC(=O)[C@@H]1OC 132757045 573346086 /nfs/dbraw/zinc/34/60/86/573346086.db2.gz PSLNFEOYSRXGGN-IUCAKERBSA-N 0 0 186.251 1.548 10 0 ADAERN C[C@@H](C1CC1)[C@H](NN)C(C)(C)C 132759997 573346095 /nfs/dbraw/zinc/34/60/95/573346095.db2.gz ICPBMHMFXBAPJL-CBAPKCEASA-N 0 0 170.300 1.911 10 0 ADAERN COSc1ncnc2[nH]cnc12 238363417 573346105 /nfs/dbraw/zinc/34/61/05/573346105.db2.gz FXCLJMCNWFFHQD-UHFFFAOYSA-N 0 0 182.208 1.006 10 0 ADAERN COC(=O)c1nccc2occc12 238363109 573346111 /nfs/dbraw/zinc/34/61/11/573346111.db2.gz PAYBHCJEXIBPPD-UHFFFAOYSA-N 0 0 177.159 1.614 10 0 ADAERN COC(=O)[C@@H]1CC(C)(C)CC[C@@H]1O 117462894 573346113 /nfs/dbraw/zinc/34/61/13/573346113.db2.gz UVTBFHINKLVPCB-SFYZADRCSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@@H](CNc1cnnn1CC)OC 308557909 573346117 /nfs/dbraw/zinc/34/61/17/573346117.db2.gz CFVIQPQFDJWKQC-QMMMGPOBSA-N 0 0 198.270 1.135 10 0 ADAERN Cc1cccc2c1C[C@@H](CON)N2 258307565 573346139 /nfs/dbraw/zinc/34/61/39/573346139.db2.gz VNCFELWGMUUBSQ-QMMMGPOBSA-N 0 0 178.235 1.222 10 0 ADAERN CO[C@H]1C(=O)C[C@H]1OCC(C)C 132739726 573346147 /nfs/dbraw/zinc/34/61/47/573346147.db2.gz WMMCXBHVGPGSBD-BDAKNGLRSA-N 0 0 172.224 1.015 10 0 ADAERN C/C=C/COC(=O)c1ccncc1N 308557648 573346156 /nfs/dbraw/zinc/34/61/56/573346156.db2.gz CDKPEZTZBLILFA-NSCUHMNNSA-N 0 0 192.218 1.397 10 0 ADAERN COc1cc(F)c2c(c1)C(=O)NC2 238363324 573346162 /nfs/dbraw/zinc/34/61/62/573346162.db2.gz HHZMEXVFBWPNQJ-UHFFFAOYSA-N 0 0 181.166 1.078 10 0 ADAERN Cc1nc(C)n(CC(=O)C(C)C)n1 86276779 573346180 /nfs/dbraw/zinc/34/61/80/573346180.db2.gz TYHAWICQMGOBJI-UHFFFAOYSA-N 0 0 181.239 1.120 10 0 ADAERN CC(C)C(=O)CN1CCSCC1 86276494 573346186 /nfs/dbraw/zinc/34/61/86/573346186.db2.gz UWUPFAKTTMJEEI-UHFFFAOYSA-N 0 0 187.308 1.260 10 0 ADAERN COc1ccccc1COC=O 78018958 573346204 /nfs/dbraw/zinc/34/62/04/573346204.db2.gz OHSGJLOOFCBWPU-UHFFFAOYSA-N 0 0 166.176 1.368 10 0 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/nfs/dbraw/zinc/34/63/80/573346380.db2.gz QOCPJSMJANGMSK-SNVBAGLBSA-N 0 0 196.246 1.117 10 0 ADAERN CC/C=C/C(=O)N(C)C[C@H](C)CO 308359346 573346390 /nfs/dbraw/zinc/34/63/90/573346390.db2.gz LRLABRZWHXKSMX-CYNONHLPSA-N 0 0 185.267 1.039 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])C1CCCC1 50272608 573346395 /nfs/dbraw/zinc/34/63/95/573346395.db2.gz KOAPTFSEKNCCIQ-QMMMGPOBSA-N 0 0 171.240 1.239 10 0 ADAERN CNc1c(C)cc2nccnc2c1N 238363060 573346890 /nfs/dbraw/zinc/34/68/90/573346890.db2.gz FRLNELMPYIPWKJ-UHFFFAOYSA-N 0 0 188.234 1.562 10 0 ADAERN C[C@H](OC(=O)C1CC1)[C@H]1CCOC1 308360853 573346898 /nfs/dbraw/zinc/34/68/98/573346898.db2.gz DLRYHOSAZZRDOD-CBAPKCEASA-N 0 0 184.235 1.365 10 0 ADAERN CC[C@@H](CO)C(C)(C)F 107115242 573346906 /nfs/dbraw/zinc/34/69/06/573346906.db2.gz YDWUDMJFKGOBSA-LURJTMIESA-N 0 0 134.194 1.753 10 0 ADAERN CC/C=C\C(=O)N(C)C[C@H](C)OC 308361042 573346910 /nfs/dbraw/zinc/34/69/10/573346910.db2.gz MFUJEWGSLLHJBH-NMTCXDENSA-N 0 0 185.267 1.446 10 0 ADAERN O=C([O-])[C@@H]([NH2+]C1CC1)C1CCCC1 50272614 573346932 /nfs/dbraw/zinc/34/69/32/573346932.db2.gz AIUFABCDDANZPG-VIFPVBQESA-N 0 0 183.251 1.382 10 0 ADAERN CC(C)(F)C1(CO)CC1 107115084 573346950 /nfs/dbraw/zinc/34/69/50/573346950.db2.gz ASCPAEJEPIYLQX-UHFFFAOYSA-N 0 0 132.178 1.507 10 0 ADAERN Nc1ccoc1-c1cc[nH]n1 107107010 573346958 /nfs/dbraw/zinc/34/69/58/573346958.db2.gz ZAYVHBQBWBKEKD-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Cc1c[nH]c(C(=O)c2ccccc2)n1 143671798 573346995 /nfs/dbraw/zinc/34/69/95/573346995.db2.gz ZSHZLLQXCOLBBR-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN c1n[nH]cc1O[C@@H]1CCCS1 258308885 573346996 /nfs/dbraw/zinc/34/69/96/573346996.db2.gz CTVVTUXBZCWALZ-ZETCQYMHSA-N 0 0 170.237 1.642 10 0 ADAERN C[C@H]1SCC[C@@]1(C)O 107115109 573347007 /nfs/dbraw/zinc/34/70/07/573347007.db2.gz QBRZEWFGVAAFPI-PHDIDXHHSA-N 0 0 132.228 1.263 10 0 ADAERN [NH3+]Cc1nc(C2CCC2)oc1C(=O)[O-] 258290515 573347019 /nfs/dbraw/zinc/34/70/19/573347019.db2.gz RXMJQJAUCZMCEO-UHFFFAOYSA-N 0 0 196.206 1.099 10 0 ADAERN C/C=C/[C@H](O)c1cnc(SC)nc1 238362903 573347027 /nfs/dbraw/zinc/34/70/27/573347027.db2.gz XXTAPYUXZHLNTF-RTMURIBGSA-N 0 0 196.275 1.808 10 0 ADAERN COC(=O)c1nccc2cnccc12 238362890 573347045 /nfs/dbraw/zinc/34/70/45/573347045.db2.gz NCEDPXNRYSZBTH-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN c1nocc1OCC1CCOCC1 258289968 573347064 /nfs/dbraw/zinc/34/70/64/573347064.db2.gz CCBQHJPQRZMDNE-UHFFFAOYSA-N 0 0 183.207 1.480 10 0 ADAERN COC(=O)c1nccc2ncccc12 238362949 573347071 /nfs/dbraw/zinc/34/70/71/573347071.db2.gz VMIZQWXGVHYKBE-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN COC(=O)c1cc(F)cc(OC)n1 238363259 573347090 /nfs/dbraw/zinc/34/70/90/573347090.db2.gz RTAJDBNQBCZGHK-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN CN[C@H](c1cccc(C)c1)N(C)C 259423935 573347094 /nfs/dbraw/zinc/34/70/94/573347094.db2.gz IDDXZDKFGDZMOM-NSHDSACASA-N 0 0 178.279 1.775 10 0 ADAERN COC(=O)c1cc(F)cc2cnoc12 238363437 573347096 /nfs/dbraw/zinc/34/70/96/573347096.db2.gz GDAXLNKMZPBCAW-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN COc1cc(F)cc2c1C(=O)OCC2 238365618 573350554 /nfs/dbraw/zinc/35/05/54/573350554.db2.gz TVFGJPUPRVZFLD-UHFFFAOYSA-N 0 0 196.177 1.547 10 0 ADAERN CC(=O)C[C@H](C)C(=O)c1cn(C)cn1 308558240 573350573 /nfs/dbraw/zinc/35/05/73/573350573.db2.gz CMMBMGXDSSHKOW-ZETCQYMHSA-N 0 0 194.234 1.218 10 0 ADAERN COC12CCC(CC1)C[C@H]2CO 238365224 573350575 /nfs/dbraw/zinc/35/05/75/573350575.db2.gz LPVUSOIEGPYDCI-KYHHOPLUSA-N 0 0 170.252 1.574 10 0 ADAERN CCC[C@H]1NCN(C2CCC2)C1=O 124166024 573350596 /nfs/dbraw/zinc/35/05/96/573350596.db2.gz WXRUPUZAFDHVPJ-SECBINFHSA-N 0 0 182.267 1.097 10 0 ADAERN Cc1csc(C[C@H]2COC[C@H]2O)n1 687979006 573350597 /nfs/dbraw/zinc/35/05/97/573350597.db2.gz FCHMUWCPUBBDJQ-JGVFFNPUSA-N 0 0 199.275 1.001 10 0 ADAERN CC(C)c1cc(N)cc(=O)n1C 258635295 573350598 /nfs/dbraw/zinc/35/05/98/573350598.db2.gz YFVLWGQVJWXHCY-UHFFFAOYSA-N 0 0 166.224 1.091 10 0 ADAERN O=C1C[C@@H]2CCCCC[C@H]2N1 107117615 573350620 /nfs/dbraw/zinc/35/06/20/573350620.db2.gz GPXOEMQOHPLXTK-JGVFFNPUSA-N 0 0 153.225 1.455 10 0 ADAERN COc1ccc(C2(O)CC2)c(F)c1O 258006135 573350630 /nfs/dbraw/zinc/35/06/30/573350630.db2.gz GWCYLIVQOUPOBP-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN OC[C@H]1Cc2ccc(O)cc21 258635082 573350648 /nfs/dbraw/zinc/35/06/48/573350648.db2.gz YFFCDNDXUKCFDG-SSDOTTSWSA-N 0 0 150.177 1.024 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C 86270172 573350658 /nfs/dbraw/zinc/35/06/58/573350658.db2.gz OZCKVWQLOPSWNW-LPEHRKFASA-N 0 0 199.294 1.826 10 0 ADAERN CCCOC(=O)OCC(C)=O 214724881 573350661 /nfs/dbraw/zinc/35/06/61/573350661.db2.gz FUIPNPUMPKKGRL-UHFFFAOYSA-N 0 0 160.169 1.139 10 0 ADAERN COc1c(C)cccc1NC(N)=O 238365535 573350677 /nfs/dbraw/zinc/35/06/77/573350677.db2.gz PCYPMWAXVQJTGE-UHFFFAOYSA-N 0 0 180.207 1.494 10 0 ADAERN COc1ccc(C)c2cnc(N)nc12 238365929 573350682 /nfs/dbraw/zinc/35/06/82/573350682.db2.gz KPFDPDBRZFPZNE-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN Cc1ccc(NCC[C@H](C)O)c(N)c1 82991350 573350720 /nfs/dbraw/zinc/35/07/20/573350720.db2.gz FQWBBEBVVMJHRM-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN O=Cc1cc(C2CC2)ncn1 107116931 573350733 /nfs/dbraw/zinc/35/07/33/573350733.db2.gz VTDRUKZALDAOHX-UHFFFAOYSA-N 0 0 148.165 1.167 10 0 ADAERN Cc1cc2c(n1C)CCC2=O 107117030 573350740 /nfs/dbraw/zinc/35/07/40/573350740.db2.gz CPCSBTAGTFEBMB-UHFFFAOYSA-N 0 0 149.193 1.462 10 0 ADAERN OCC[C@H]1CCSC[C@@H]1F 258635150 573350758 /nfs/dbraw/zinc/35/07/58/573350758.db2.gz YFPJBTVSBTVEIQ-BQBZGAKWSA-N 0 0 164.245 1.460 10 0 ADAERN CC(C)C(=O)CN1C[C@H](C)O[C@H](C)C1 86276295 573350771 /nfs/dbraw/zinc/35/07/71/573350771.db2.gz ZIOODXWJKYKEBI-AOOOYVTPSA-N 0 0 199.294 1.321 10 0 ADAERN Cc1oc(CO)nc1[C@@H]1CCCN1C 258009106 573350794 /nfs/dbraw/zinc/35/07/94/573350794.db2.gz HADFPWOJXKTXOE-QMMMGPOBSA-N 0 0 196.250 1.242 10 0 ADAERN C[C@@H](O)CCNc1ccccc1N 82991242 573350799 /nfs/dbraw/zinc/35/07/99/573350799.db2.gz BZXRVQOOBCCSOC-MRVPVSSYSA-N 0 0 180.251 1.452 10 0 ADAERN O[C@H]1COC[C@H]1CCc1ccsc1 687978972 573350809 /nfs/dbraw/zinc/35/08/09/573350809.db2.gz DQPDJZLWOFPTCE-ZJUUUORDSA-N 0 0 198.287 1.688 10 0 ADAERN COc1ccc(N)c2nsnc12 238364699 573350824 /nfs/dbraw/zinc/35/08/24/573350824.db2.gz CIVLVHYLCGXYHB-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN CCC(C)(C)[C@H](O)Cn1ccnc1C 308559442 573350831 /nfs/dbraw/zinc/35/08/31/573350831.db2.gz WJNHDQWCIJZAIQ-SNVBAGLBSA-N 0 0 196.294 1.989 10 0 ADAERN O=C([O-])[C@@H]1C[C@H](C2CCC2)CC[NH2+]1 258636009 573350836 /nfs/dbraw/zinc/35/08/36/573350836.db2.gz VRYUNFODOXCNER-BDAKNGLRSA-N 0 0 183.251 1.239 10 0 ADAERN CCC1(Cn2ncnc2CO)CCC1 308559061 573350839 /nfs/dbraw/zinc/35/08/39/573350839.db2.gz DAKTVHYXLRIWJS-UHFFFAOYSA-N 0 0 195.266 1.351 10 0 ADAERN C[C@H](O)[C@H]1Cc2c(F)cccc2N1 258307704 573346884 /nfs/dbraw/zinc/34/68/84/573346884.db2.gz VOMUQXPEJSAOTC-QUBYGPBYSA-N 0 0 181.210 1.543 10 0 ADAERN N[C@@H](CF)c1cncs1 107116767 573352299 /nfs/dbraw/zinc/35/22/99/573352299.db2.gz MPQYTHUEQAYIFO-BYPYZUCNSA-N 0 0 146.190 1.112 10 0 ADAERN COc1ccc([C@@H]2CC[C@H](O)O2)cc1 238366084 573351727 /nfs/dbraw/zinc/35/17/27/573351727.db2.gz VKEZXSVHKOUERP-WDEREUQCSA-N 0 0 194.230 1.865 10 0 ADAERN C[C@H](O)CCNc1cccc(N)c1 82991296 573351734 /nfs/dbraw/zinc/35/17/34/573351734.db2.gz FXVVLVUICMRADC-QMMMGPOBSA-N 0 0 180.251 1.452 10 0 ADAERN CSc1ccc(N)c(C)n1 93097471 573351749 /nfs/dbraw/zinc/35/17/49/573351749.db2.gz NWWPHFMGFHCAID-UHFFFAOYSA-N 0 0 154.238 1.694 10 0 ADAERN Cc1nnc2cc(Cl)nc(C)n12 82999502 573351755 /nfs/dbraw/zinc/35/17/55/573351755.db2.gz UBHQAFANCZMKMD-UHFFFAOYSA-N 0 0 182.614 1.395 10 0 ADAERN CC(=O)N[C@H](C)/C=C\[C@H](C)OC(C)=O 308361995 573351773 /nfs/dbraw/zinc/35/17/73/573351773.db2.gz BXPJZQNZUXYLPE-BWNLKHSUSA-N 0 0 199.250 1.019 10 0 ADAERN CC(C)(F)C1(CO)CCC1 107116778 573351800 /nfs/dbraw/zinc/35/18/00/573351800.db2.gz IXUWSQDSGSSSAP-UHFFFAOYSA-N 0 0 146.205 1.897 10 0 ADAERN CC(C)C[C@@H]1NCN(C2CCC2)C1=O 124168452 573351812 /nfs/dbraw/zinc/35/18/12/573351812.db2.gz DFZPEPMPCBMFSX-JTQLQIEISA-N 0 0 196.294 1.343 10 0 ADAERN COC12CCC(CC1)C(C)(C)[C@H]2O 238365097 573351825 /nfs/dbraw/zinc/35/18/25/573351825.db2.gz HCYHZPXBRZIVKZ-INWMGODYSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@H](CC[NH2+]C1CCCC1)C(=O)[O-] 129689804 573351833 /nfs/dbraw/zinc/35/18/33/573351833.db2.gz ALKQWTREEHJYHR-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN Nc1oncc1COc1cccnc1 258009391 573351842 /nfs/dbraw/zinc/35/18/42/573351842.db2.gz ZYRRFGPNYDRTLI-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN CC[C@H](NN)[C@H]1CCC[C@@H](OC)C1 686357280 573351854 /nfs/dbraw/zinc/35/18/54/573351854.db2.gz CUBCNKQPIBZPCM-AEJSXWLSSA-N 0 0 186.299 1.434 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@@H](C(=O)[O-])[NH+](C)C 714680222 573351862 /nfs/dbraw/zinc/35/18/62/573351862.db2.gz QFPRIZKUXWRINY-BHNWBGBOSA-N 0 0 171.240 1.047 10 0 ADAERN O=CCc1ccccn1 100304632 573351866 /nfs/dbraw/zinc/35/18/66/573351866.db2.gz AWHPVMOPHMGEGW-XQRVVYSFSA-N 0 0 121.139 1.610 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)SC 86294006 573351879 /nfs/dbraw/zinc/35/18/79/573351879.db2.gz NINHDXWGJVAFNJ-RITPCOANSA-N 0 0 162.254 1.547 10 0 ADAERN CN[C@@H](CF)c1ccco1 107116030 573351884 /nfs/dbraw/zinc/35/18/84/573351884.db2.gz VGIUFSYSXGIBON-LURJTMIESA-N 0 0 143.161 1.510 10 0 ADAERN O=C1CC[C@]2(CC[C@H]3C[C@H]32)N1 107117205 573351908 /nfs/dbraw/zinc/35/19/08/573351908.db2.gz BKXALLNZVWPTBJ-OOZYFLPDSA-N 0 0 151.209 1.065 10 0 ADAERN CC(C)[C@@H](O)CC(C)(C)O 117535032 573351911 /nfs/dbraw/zinc/35/19/11/573351911.db2.gz JANSZBDMCKVQEK-ZETCQYMHSA-N 0 0 146.230 1.164 10 0 ADAERN C[C@H]([NH2+]C1CC=CC1)[C@@H](C)C(=O)[O-] 132926310 573351918 /nfs/dbraw/zinc/35/19/18/573351918.db2.gz PDWBEOHAXIGVNG-SFYZADRCSA-N 0 0 183.251 1.404 10 0 ADAERN O[C@@H](c1ccccc1)c1c[nH]cn1 117489532 573351940 /nfs/dbraw/zinc/35/19/40/573351940.db2.gz LLMALNLCFQLWHG-JTQLQIEISA-N 0 0 174.203 1.491 10 0 ADAERN CCCc1nc2cccc(OC)n2n1 258005856 573351964 /nfs/dbraw/zinc/35/19/64/573351964.db2.gz QPBITRJCJAEWMV-UHFFFAOYSA-N 0 0 191.234 1.690 10 0 ADAERN C[C@H]1CCC=C(Cl)[C@@H]1O 209175002 573351971 /nfs/dbraw/zinc/35/19/71/573351971.db2.gz RNIFOAXMZWTBAZ-CAHLUQPWSA-N 0 0 146.617 1.900 10 0 ADAERN Cc1cccn(CC(=O)C(C)C)c1=O 86276961 573351988 /nfs/dbraw/zinc/35/19/88/573351988.db2.gz CIADOYUMNSLRMX-UHFFFAOYSA-N 0 0 193.246 1.382 10 0 ADAERN N[C@H](CF)c1cncs1 107116766 573351992 /nfs/dbraw/zinc/35/19/92/573351992.db2.gz MPQYTHUEQAYIFO-SCSAIBSYSA-N 0 0 146.190 1.112 10 0 ADAERN CC(=O)C[C@@H](C)C(=O)c1cn(C)cn1 308558239 573351995 /nfs/dbraw/zinc/35/19/95/573351995.db2.gz CMMBMGXDSSHKOW-SSDOTTSWSA-N 0 0 194.234 1.218 10 0 ADAERN C[NH+](C)CC[C@@]1(C)C[C@H]1C(=O)[O-] 715277762 573351999 /nfs/dbraw/zinc/35/19/99/573351999.db2.gz JTYIFJSKXQPHOU-CBAPKCEASA-N 0 0 171.240 1.049 10 0 ADAERN Cc1oc(CO)nc1[C@H]1CCCN1C 258009101 573352003 /nfs/dbraw/zinc/35/20/03/573352003.db2.gz HADFPWOJXKTXOE-MRVPVSSYSA-N 0 0 196.250 1.242 10 0 ADAERN COc1ccc(/C=C\CO)cc1O 211945275 573352061 /nfs/dbraw/zinc/35/20/61/573352061.db2.gz RTYQTTPTUBTOOF-IHWYPQMZSA-N 0 0 180.203 1.406 10 0 ADAERN NN[C@H](CCCCF)c1cncnc1 308560911 573352063 /nfs/dbraw/zinc/35/20/63/573352063.db2.gz XIHQVAFHHGKPNO-SECBINFHSA-N 0 0 198.245 1.121 10 0 ADAERN CCc1cc2c([nH]1)CCC2=O 107117034 573352089 /nfs/dbraw/zinc/35/20/89/573352089.db2.gz KLTUOWWDXLHVSC-UHFFFAOYSA-N 0 0 149.193 1.706 10 0 ADAERN Cc1cc(C)cc([C@@H]2COC[C@@H]2O)c1 687978939 573352090 /nfs/dbraw/zinc/35/20/90/573352090.db2.gz DBMWHCDJZDCOLL-RYUDHWBXSA-N 0 0 192.258 1.778 10 0 ADAERN CCc1c(C)nc2cc(CO)ccn12 74536300 573352112 /nfs/dbraw/zinc/35/21/12/573352112.db2.gz IWHUFHWRHNMRDU-UHFFFAOYSA-N 0 0 190.246 1.697 10 0 ADAERN CC(C)C(=O)C[S@@](=O)C(C)C 86277638 573352130 /nfs/dbraw/zinc/35/21/30/573352130.db2.gz IPZJKPPCKICWIX-NSHDSACASA-N 0 0 176.281 1.369 10 0 ADAERN CCONCc1cnccc1C 132924222 573352157 /nfs/dbraw/zinc/35/21/57/573352157.db2.gz XMQBRQHRANYHSL-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN C[C@@H]1COC(=O)N1c1cccc(N)c1 117582909 573352158 /nfs/dbraw/zinc/35/21/58/573352158.db2.gz AEPNXDGUMLXXCX-SSDOTTSWSA-N 0 0 192.218 1.614 10 0 ADAERN CCCC(CCC)c1nnc(N)n1N 132907984 573352165 /nfs/dbraw/zinc/35/21/65/573352165.db2.gz GFGMVPRSAOBRBC-UHFFFAOYSA-N 0 0 197.286 1.258 10 0 ADAERN C=Cc1ccc(NC)cn1 209787959 573352177 /nfs/dbraw/zinc/35/21/77/573352177.db2.gz IJMMPKLJVSQQBZ-UHFFFAOYSA-N 0 0 134.182 1.766 10 0 ADAERN Cc1[nH]c(C=O)nc1Cl 107116391 573352200 /nfs/dbraw/zinc/35/22/00/573352200.db2.gz XDKOKWIIRSFYKK-UHFFFAOYSA-N 0 0 144.561 1.184 10 0 ADAERN CCCOc1cccnc1C[NH3+] 129693575 573352231 /nfs/dbraw/zinc/35/22/31/573352231.db2.gz JKHZFZULGVGMNZ-UHFFFAOYSA-N 0 0 166.224 1.329 10 0 ADAERN CCC(=O)NCCc1ncc(C)o1 74537394 573352233 /nfs/dbraw/zinc/35/22/33/573352233.db2.gz YEUYFEKQAXCKMQ-UHFFFAOYSA-N 0 0 182.223 1.052 10 0 ADAERN OCCOC/C=C/c1ccccc1O 308362280 573352274 /nfs/dbraw/zinc/35/22/74/573352274.db2.gz CFSWRKPFTFVUME-HWKANZROSA-N 0 0 194.230 1.414 10 0 ADAERN COc1ccc2onc(C)c2c1N 259424096 573352286 /nfs/dbraw/zinc/35/22/86/573352286.db2.gz NGQOOSZYGPBFBB-UHFFFAOYSA-N 0 0 178.191 1.727 10 0 ADAERN COC(=O)/C(C)=C\Cn1cc(C)cn1 214730660 573351722 /nfs/dbraw/zinc/35/17/22/573351722.db2.gz RTMWPBQUFNNCEO-WTKPLQERSA-N 0 0 194.234 1.311 10 0 ADAERN Cc1nc2cccc(CON)c2n1C 258006206 573353235 /nfs/dbraw/zinc/35/32/35/573353235.db2.gz HADBOWVAMOCLQH-UHFFFAOYSA-N 0 0 191.234 1.272 10 0 ADAERN CCC[C@@H]([NH2+]C[C@H](C)C1CC1)C(=O)[O-] 132848891 573353280 /nfs/dbraw/zinc/35/32/80/573353280.db2.gz IRQYOWJTVAEGFM-WCBMZHEXSA-N 0 0 199.294 1.875 10 0 ADAERN O[C@@H]1COC[C@@H]1CCc1ccsc1 687978970 573353289 /nfs/dbraw/zinc/35/32/89/573353289.db2.gz DQPDJZLWOFPTCE-VHSXEESVSA-N 0 0 198.287 1.688 10 0 ADAERN COc1nc(C(F)F)ccc1CO 238367532 573353293 /nfs/dbraw/zinc/35/32/93/573353293.db2.gz KZZWVWPFSXNXMS-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CC(=O)N[C@H](C)/C=C\[C@@H](C)OC(C)=O 308361996 573353303 /nfs/dbraw/zinc/35/33/03/573353303.db2.gz BXPJZQNZUXYLPE-MFOJLJMTSA-N 0 0 199.250 1.019 10 0 ADAERN CCC1(C[NH+]2CC(C(=O)[O-])C2)CCC1 308559311 573353316 /nfs/dbraw/zinc/35/33/16/573353316.db2.gz DEPVLVAMCAGNDO-UHFFFAOYSA-N 0 0 197.278 1.583 10 0 ADAERN CCOC(=O)/C=C\NC(=O)C(C)(C)C 308364638 573353317 /nfs/dbraw/zinc/35/33/17/573353317.db2.gz HIAJQEBLWHZLBK-SREVYHEPSA-N 0 0 199.250 1.226 10 0 ADAERN COc1nc(C(F)F)cc(N)c1N 238366808 573353337 /nfs/dbraw/zinc/35/33/37/573353337.db2.gz BUESFKXLNUVFAX-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN COc1c(C)ccn2cnnc12 238366861 573353343 /nfs/dbraw/zinc/35/33/43/573353343.db2.gz IQUBAEIMUQQVBO-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN COC1=C(C)CCC[C@H]1O 238367011 573353348 /nfs/dbraw/zinc/35/33/48/573353348.db2.gz IIHGWGUSWMGTIJ-SSDOTTSWSA-N 0 0 142.198 1.452 10 0 ADAERN COc1c(O)ccc(C)c1CCON 258006151 573353349 /nfs/dbraw/zinc/35/33/49/573353349.db2.gz GWUGJMSUGCDTTP-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN CC(=O)N(C)C[C@H](O)c1cccs1 74560002 573353358 /nfs/dbraw/zinc/35/33/58/573353358.db2.gz NLJFCFGVYKKVDB-QMMMGPOBSA-N 0 0 199.275 1.260 10 0 ADAERN Cc1cc(N2CCOCC2)ccc1O 117501473 573353370 /nfs/dbraw/zinc/35/33/70/573353370.db2.gz XLNMQDXETJYKQZ-UHFFFAOYSA-N 0 0 193.246 1.537 10 0 ADAERN CNc1ccc(OC)nc1C 117483866 573353376 /nfs/dbraw/zinc/35/33/76/573353376.db2.gz ONRCDIOEPXWIIU-UHFFFAOYSA-N 0 0 152.197 1.440 10 0 ADAERN CCOC(=O)NCCc1ncc(C)o1 74553008 573353382 /nfs/dbraw/zinc/35/33/82/573353382.db2.gz QWFZZFAUDBFAIM-UHFFFAOYSA-N 0 0 198.222 1.272 10 0 ADAERN CCC[C@H]1N[C@H](C)C(=O)N1C1CCC1 124176352 573353389 /nfs/dbraw/zinc/35/33/89/573353389.db2.gz OEEUSPRDIXFMTR-SCZZXKLOSA-N 0 0 196.294 1.485 10 0 ADAERN COC(=O)C(CO)=C1CCCCCC1 238367647 573353397 /nfs/dbraw/zinc/35/33/97/573353397.db2.gz UOSOKIFMDSVLOZ-UHFFFAOYSA-N 0 0 198.262 1.803 10 0 ADAERN CO[C@@H](C)Cc1cccc(O)c1 238367869 573353412 /nfs/dbraw/zinc/35/34/12/573353412.db2.gz YVKFEWDQGLVSDQ-QMMMGPOBSA-N 0 0 166.220 1.970 10 0 ADAERN CSc1occ(C)c(=O)c1C 238367270 573353417 /nfs/dbraw/zinc/35/34/17/573353417.db2.gz WLARRTKQJBRNOV-UHFFFAOYSA-N 0 0 170.233 1.979 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1ccnn1C 83001839 573353427 /nfs/dbraw/zinc/35/34/27/573353427.db2.gz VZSFRTBAGSBCQG-HTQZYQBOSA-N 0 0 178.235 1.503 10 0 ADAERN C[C@@H]1C[C@@]1(C)[C@@H](C(=O)[O-])[NH+](C)C 714680226 573353439 /nfs/dbraw/zinc/35/34/39/573353439.db2.gz QFPRIZKUXWRINY-ZXFLCMHBSA-N 0 0 171.240 1.047 10 0 ADAERN CNc1snc(C)c1-c1nnc[nH]1 86292938 573353444 /nfs/dbraw/zinc/35/34/44/573353444.db2.gz CPZSWLDIZBBHFA-UHFFFAOYSA-N 0 0 195.251 1.278 10 0 ADAERN CC(C)C(=O)CN1C[C@H](C)CC1=O 86276959 573353455 /nfs/dbraw/zinc/35/34/55/573353455.db2.gz FYWRNXCGCIVPRM-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN C[NH+](C)CC[C@@]1(C)C[C@@H]1C(=O)[O-] 715277758 573353464 /nfs/dbraw/zinc/35/34/64/573353464.db2.gz JTYIFJSKXQPHOU-APPZFPTMSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1cc(C)cc([C@@H]2COC[C@H]2O)c1 687978937 573353475 /nfs/dbraw/zinc/35/34/75/573353475.db2.gz DBMWHCDJZDCOLL-NWDGAFQWSA-N 0 0 192.258 1.778 10 0 ADAERN CCC[S@@](=O)[C@H]1CCC(=O)[C@@H]1C 83002933 573353477 /nfs/dbraw/zinc/35/34/77/573353477.db2.gz PBIWEPIQKREFDR-DXBFQKDVSA-N 0 0 188.292 1.513 10 0 ADAERN CCCCc1nnc(CCOC)o1 308362189 573353486 /nfs/dbraw/zinc/35/34/86/573353486.db2.gz MOGBZRGLGONBHN-UHFFFAOYSA-N 0 0 184.239 1.601 10 0 ADAERN O=Cc1cnc2cnccc2c1 117542840 573353537 /nfs/dbraw/zinc/35/35/37/573353537.db2.gz CZXMLTZZWPYAAU-UHFFFAOYSA-N 0 0 158.160 1.442 10 0 ADAERN COc1nc(C(F)F)cc(N)c1O 238366845 573353538 /nfs/dbraw/zinc/35/35/38/573353538.db2.gz JEYWBPMOLSMFKM-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN C[C@H]1CNc2ccc(O)cc2O1 107120465 573353542 /nfs/dbraw/zinc/35/35/42/573353542.db2.gz FZARGFGUVKFTGV-LURJTMIESA-N 0 0 165.192 1.585 10 0 ADAERN OCCCc1c(F)ccc(O)c1F 258006254 573353549 /nfs/dbraw/zinc/35/35/49/573353549.db2.gz HBBRIQSZANAGNY-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN Cc1nn(C)c2c(F)cc(C=O)cc12 259424144 573353555 /nfs/dbraw/zinc/35/35/55/573353555.db2.gz NHNUXOVNRWRZOB-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN Cc1nc2cccc(O)c2n1C 107120095 573353561 /nfs/dbraw/zinc/35/35/61/573353561.db2.gz MZDQXTRWEALIJH-UHFFFAOYSA-N 0 0 162.192 1.587 10 0 ADAERN CCCCCCC(N)=CC(=O)OC 231551288 573353562 /nfs/dbraw/zinc/35/35/62/573353562.db2.gz DZULIOARDBLMFE-HJWRWDBZSA-N 0 0 185.267 1.972 10 0 ADAERN CC(C)[S@](=O)[C@@H]1CCC(=O)[C@H]1C 83003042 573353585 /nfs/dbraw/zinc/35/35/85/573353585.db2.gz ZRVBUIAYGXXCIA-JWKOBGCHSA-N 0 0 188.292 1.511 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1c1cccnc1N 83002441 573353600 /nfs/dbraw/zinc/35/36/00/573353600.db2.gz QBTVASYHRFZTIE-JGVFFNPUSA-N 0 0 190.246 1.746 10 0 ADAERN CC(C)C(=O)COC1CCC1 86277232 573353606 /nfs/dbraw/zinc/35/36/06/573353606.db2.gz ZSHKPIWORIJFFZ-UHFFFAOYSA-N 0 0 156.225 1.781 10 0 ADAERN COc1c(C)ccn2c(N)cnc12 238366742 573353611 /nfs/dbraw/zinc/35/36/11/573353611.db2.gz ILBIMAAXAJEHDF-UHFFFAOYSA-N 0 0 177.207 1.234 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1Cc1cnn(C)c1 83002840 573353621 /nfs/dbraw/zinc/35/36/21/573353621.db2.gz DDDPIWJBJFTGKY-SCZZXKLOSA-N 0 0 192.262 1.578 10 0 ADAERN C[C@@H](O)c1c(F)c(O)cc(O)c1F 258009054 573353624 /nfs/dbraw/zinc/35/36/24/573353624.db2.gz HHNIAOQVOLMKID-GSVOUGTGSA-N 0 0 190.145 1.429 10 0 ADAERN C[C@@H](CO)c1cccc2ncoc12 258005851 573353634 /nfs/dbraw/zinc/35/36/34/573353634.db2.gz MJMMVNHLQBELNS-ZETCQYMHSA-N 0 0 177.203 1.924 10 0 ADAERN CCC1(CC)O[C@H]2[C@@H](O)C=C[C@H]2O1 117577902 573353637 /nfs/dbraw/zinc/35/36/37/573353637.db2.gz JIKVOLSGPPHOEJ-YIZRAAEISA-N 0 0 184.235 1.217 10 0 ADAERN CCC1(C(=O)NC2(CO)CCC2)CC1 308558652 573353639 /nfs/dbraw/zinc/35/36/39/573353639.db2.gz VXLUHXADRYDWIO-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN O[C@@H](CC1CC1)c1ccncn1 82999916 573353644 /nfs/dbraw/zinc/35/36/44/573353644.db2.gz WXKFFIHTCCFYRS-VIFPVBQESA-N 0 0 164.208 1.310 10 0 ADAERN CCCCOC(=O)c1ncccc1N 132963641 573353651 /nfs/dbraw/zinc/35/36/51/573353651.db2.gz MRYHIEIMNSMXSE-UHFFFAOYSA-N 0 0 194.234 1.621 10 0 ADAERN Oc1ccc2c(c1)OCCCN2 107120456 573353675 /nfs/dbraw/zinc/35/36/75/573353675.db2.gz KZHBPZYXWDCIPJ-UHFFFAOYSA-N 0 0 165.192 1.587 10 0 ADAERN COC(=O)c1occ2ccc(N)cc12 238367884 573353681 /nfs/dbraw/zinc/35/36/81/573353681.db2.gz DBCIFJAMLOUZBF-UHFFFAOYSA-N 0 0 191.186 1.802 10 0 ADAERN CON[C@@H](C)CC(C)(C)OC 132963048 573353693 /nfs/dbraw/zinc/35/36/93/573353693.db2.gz VXDHNJFAGWZUNM-ZETCQYMHSA-N 0 0 161.245 1.341 10 0 ADAERN COC(=O)c1oc(=O)[nH]c1C(C)(C)C 238367617 573353703 /nfs/dbraw/zinc/35/37/03/573353703.db2.gz VDLGNOWLUPDAEB-UHFFFAOYSA-N 0 0 199.206 1.052 10 0 ADAERN C=Cc1ccnc(NC)c1 209788048 573353721 /nfs/dbraw/zinc/35/37/21/573353721.db2.gz TURHHQZVSMLOOS-UHFFFAOYSA-N 0 0 134.182 1.766 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1cnccn1 83002417 573353722 /nfs/dbraw/zinc/35/37/22/573353722.db2.gz PLZCOSISOJXERB-SFYZADRCSA-N 0 0 176.219 1.559 10 0 ADAERN O=C(CC1CC1)c1ccncn1 82999743 573353730 /nfs/dbraw/zinc/35/37/30/573353730.db2.gz MTPAGRHENXLFKD-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN CS[C@@H]1CCC(=O)[C@H]1C 83000581 573353738 /nfs/dbraw/zinc/35/37/38/573353738.db2.gz WAPMLVWRVPHVJT-IYSWYEEDSA-N 0 0 144.239 1.717 10 0 ADAERN CC/C=C/C(=O)OCCCC(C)=O 308356503 573353779 /nfs/dbraw/zinc/35/37/79/573353779.db2.gz KVFWOTZTOXSHKJ-QPJJXVBHSA-N 0 0 184.235 1.865 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)SC 86294000 573353785 /nfs/dbraw/zinc/35/37/85/573353785.db2.gz NINHDXWGJVAFNJ-PHDIDXHHSA-N 0 0 162.254 1.547 10 0 ADAERN CCOC[C@H](O)c1ccncc1CC 132871471 573353787 /nfs/dbraw/zinc/35/37/87/573353787.db2.gz HOIRBQVEHKVJOB-NSHDSACASA-N 0 0 195.262 1.714 10 0 ADAERN C[C@H](Nc1nnc(CN)o1)C(C)(C)C 235570887 573353791 /nfs/dbraw/zinc/35/37/91/573353791.db2.gz RAOJKVKYHNAWEM-LURJTMIESA-N 0 0 198.270 1.375 10 0 ADAERN COC(=O)[C@@H](F)CC(C)(C)C 258635594 573353801 /nfs/dbraw/zinc/35/38/01/573353801.db2.gz YHBOAHMPLGCKRY-LURJTMIESA-N 0 0 162.204 1.934 10 0 ADAERN COCC(=O)CC1CC1 82999678 573353810 /nfs/dbraw/zinc/35/38/10/573353810.db2.gz YKFSRHITITXJKK-UHFFFAOYSA-N 0 0 128.171 1.002 10 0 ADAERN C[NH+](C)CC[C@]1(C)C[C@H]1C(=O)[O-] 715277765 573353814 /nfs/dbraw/zinc/35/38/14/573353814.db2.gz JTYIFJSKXQPHOU-IONNQARKSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1c1nccn1C 83001848 573353821 /nfs/dbraw/zinc/35/38/21/573353821.db2.gz KIZCIZSZCUPZMC-JGVFFNPUSA-N 0 0 178.235 1.503 10 0 ADAERN Cc1nn(C)c2c(N)cccc12 107119998 573353828 /nfs/dbraw/zinc/35/38/28/573353828.db2.gz OYYRLXOCVOMVLZ-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN CCC[C@@](O)(CO)c1ccccc1 132884880 573353847 /nfs/dbraw/zinc/35/38/47/573353847.db2.gz HFVAUPXHUXZIGQ-LLVKDONJSA-N 0 0 180.247 1.667 10 0 ADAERN N#CN1C[C@H](C2CCCC2)NC1=O 259609186 573353860 /nfs/dbraw/zinc/35/38/60/573353860.db2.gz WZVYWVHNSKYCFT-MRVPVSSYSA-N 0 0 179.223 1.051 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)SC 86293997 573353864 /nfs/dbraw/zinc/35/38/64/573353864.db2.gz NINHDXWGJVAFNJ-NTSWFWBYSA-N 0 0 162.254 1.547 10 0 ADAERN Oc1ccc2c(c1)NCCCO2 107120459 573353868 /nfs/dbraw/zinc/35/38/68/573353868.db2.gz CAUBJQIFEDZRSA-UHFFFAOYSA-N 0 0 165.192 1.587 10 0 ADAERN CSCCc1nc(C)c(C)[nH]c1=O 238368146 573353884 /nfs/dbraw/zinc/35/38/84/573353884.db2.gz DPCZECKLNAXVFB-UHFFFAOYSA-N 0 0 198.291 1.292 10 0 ADAERN CC(C)(F)CNc1cn[nH]c1 107118594 573353886 /nfs/dbraw/zinc/35/38/86/573353886.db2.gz RWRLOUHKOQZKTJ-UHFFFAOYSA-N 0 0 157.192 1.570 10 0 ADAERN O[C@H](CC1CC1)c1ccncn1 82999915 573353890 /nfs/dbraw/zinc/35/38/90/573353890.db2.gz WXKFFIHTCCFYRS-SECBINFHSA-N 0 0 164.208 1.310 10 0 ADAERN C[C@H](C[NH2+]CC(C)(C)C(=O)[O-])C1CC1 132875285 573353906 /nfs/dbraw/zinc/35/39/06/573353906.db2.gz LKJCWWXCTSQCDY-MRVPVSSYSA-N 0 0 199.294 1.733 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1cncnc1 83001577 573353910 /nfs/dbraw/zinc/35/39/10/573353910.db2.gz PSPRLOUCXWACJO-APPZFPTMSA-N 0 0 176.219 1.559 10 0 ADAERN CCCC(=O)NCCc1ncc(C)o1 74537396 573353911 /nfs/dbraw/zinc/35/39/11/573353911.db2.gz LAVCDCUOEKDLJX-UHFFFAOYSA-N 0 0 196.250 1.442 10 0 ADAERN O[C@@H](CC1CC1)C(F)(F)F 82999877 573353915 /nfs/dbraw/zinc/35/39/15/573353915.db2.gz TXIZQJPHMVYYFN-YFKPBYRVSA-N 0 0 154.131 1.710 10 0 ADAERN CNc1ccc2c(c1)CC[C@H]2O 107120213 573353921 /nfs/dbraw/zinc/35/39/21/573353921.db2.gz MLYDVVMZZPLRJG-SNVBAGLBSA-N 0 0 163.220 1.708 10 0 ADAERN C[C@@H](CCO)CCCC1OCCO1 238367034 573353927 /nfs/dbraw/zinc/35/39/27/573353927.db2.gz RGIZMRKUPWOJRD-SECBINFHSA-N 0 0 188.267 1.548 10 0 ADAERN COCCC[C@@H](O)CCc1ccco1 162165024 573353974 /nfs/dbraw/zinc/35/39/74/573353974.db2.gz NFFHLSGGNLWCKY-SNVBAGLBSA-N 0 0 198.262 2.000 10 0 ADAERN C[C@@]1(CO)CCCC[C@@H]1F 258637796 573353976 /nfs/dbraw/zinc/35/39/76/573353976.db2.gz YMULCAQFTLQDLJ-YUMQZZPRSA-N 0 0 146.205 1.897 10 0 ADAERN CCC[C@@H]1C[C@H](NOC)CCO1 132954127 573353982 /nfs/dbraw/zinc/35/39/82/573353982.db2.gz LSHVKSMUAQFLSC-RKDXNWHRSA-N 0 0 173.256 1.485 10 0 ADAERN O=Cc1ocnc1C(F)(F)F 107120422 573354008 /nfs/dbraw/zinc/35/40/08/573354008.db2.gz CZALTBQESFPXMR-UHFFFAOYSA-N 0 0 165.070 1.506 10 0 ADAERN C[C@@H]1CNc2cc([C@@H](C)O)ccc2O1 74537730 573354010 /nfs/dbraw/zinc/35/40/10/573354010.db2.gz ARJTZRSXHUNVHG-HTQZYQBOSA-N 0 0 193.246 1.933 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1Cc1cnn(C)c1 83002845 573354027 /nfs/dbraw/zinc/35/40/27/573354027.db2.gz DDDPIWJBJFTGKY-WCBMZHEXSA-N 0 0 192.262 1.578 10 0 ADAERN CC(C)C(=O)CN1C[C@@H](C)CC1=O 86276960 573354075 /nfs/dbraw/zinc/35/40/75/573354075.db2.gz FYWRNXCGCIVPRM-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN O=C(CC1CC1)c1ncccn1 82999665 573354114 /nfs/dbraw/zinc/35/41/14/573354114.db2.gz GNWNYGAUMZVHSB-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN C[C@@H](C[NH2+]CC(C)(C)C(=O)[O-])C1CC1 132875080 573354121 /nfs/dbraw/zinc/35/41/21/573354121.db2.gz LKJCWWXCTSQCDY-QMMMGPOBSA-N 0 0 199.294 1.733 10 0 ADAERN CC(C)(C)c1cc(C=O)ncn1 107120382 573354143 /nfs/dbraw/zinc/35/41/43/573354143.db2.gz SUORMUZCKAFXRN-UHFFFAOYSA-N 0 0 164.208 1.587 10 0 ADAERN CCn1nncc1[C@H](O)C1(CC)CC1 308561728 573354145 /nfs/dbraw/zinc/35/41/45/573354145.db2.gz XUVPDMARRSZJST-VIFPVBQESA-N 0 0 195.266 1.522 10 0 ADAERN CC/C=C\C(=O)OCCCC(C)=O 308356501 573354169 /nfs/dbraw/zinc/35/41/69/573354169.db2.gz KVFWOTZTOXSHKJ-DAXSKMNVSA-N 0 0 184.235 1.865 10 0 ADAERN C[NH+](C)CC[C@]1(C)C[C@@H]1C(=O)[O-] 715277770 573354177 /nfs/dbraw/zinc/35/41/77/573354177.db2.gz JTYIFJSKXQPHOU-VXNVDRBHSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1cc2snc(N)c2cn1 107120557 573354178 /nfs/dbraw/zinc/35/41/78/573354178.db2.gz QCQQFGBMIQZONA-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN CC[C@@H](C)C[C@](O)(CC)CO 132884427 573354180 /nfs/dbraw/zinc/35/41/80/573354180.db2.gz CIHQKHHDAVXOTB-RKDXNWHRSA-N 0 0 160.257 1.556 10 0 ADAERN COC1=C(C)CCC[C@@H]1O 238367001 573354183 /nfs/dbraw/zinc/35/41/83/573354183.db2.gz IIHGWGUSWMGTIJ-ZETCQYMHSA-N 0 0 142.198 1.452 10 0 ADAERN COCc1ncsc1C=O 107118599 573354185 /nfs/dbraw/zinc/35/41/85/573354185.db2.gz QRCPXEBMNHABDI-UHFFFAOYSA-N 0 0 157.194 1.102 10 0 ADAERN C[C@@H](c1ccccc1)[C@H]1CC(=O)NN1 214422197 573354191 /nfs/dbraw/zinc/35/41/91/573354191.db2.gz YBSMVYOSSPOZMI-WCBMZHEXSA-N 0 0 190.246 1.183 10 0 ADAERN CNc1cccc2c1[C@H](O)CC2 107120215 573356945 /nfs/dbraw/zinc/35/69/45/573356945.db2.gz CSGILQJDIAVBNZ-SECBINFHSA-N 0 0 163.220 1.708 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1nccn1C 83001847 573356950 /nfs/dbraw/zinc/35/69/50/573356950.db2.gz KIZCIZSZCUPZMC-HTQZYQBOSA-N 0 0 178.235 1.503 10 0 ADAERN O=C([O-])/C=C\C[N@H+]1C[C@H]2CCC[C@H]2C1 308364999 573356956 /nfs/dbraw/zinc/35/69/56/573356956.db2.gz KGSDNKPGKRHCNT-DHNCFQCXSA-N 0 0 195.262 1.359 10 0 ADAERN COCCOc1cc(F)c(C)cc1N 308561770 573356984 /nfs/dbraw/zinc/35/69/84/573356984.db2.gz XWODJMJUXPFAGQ-UHFFFAOYSA-N 0 0 199.225 1.742 10 0 ADAERN Cc1cn(CCCCCO)c(C)n1 308363711 573356990 /nfs/dbraw/zinc/35/69/90/573356990.db2.gz GCEHNOPJTFOTCB-UHFFFAOYSA-N 0 0 182.267 1.663 10 0 ADAERN COCC(C)(C)[N@H+](C)[C@H]1CCCC1=O 308561394 573357005 /nfs/dbraw/zinc/35/70/05/573357005.db2.gz FMYOMLVQLNTWFV-VIFPVBQESA-N 0 0 199.294 1.465 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1cnn(C)c1 83001723 573357007 /nfs/dbraw/zinc/35/70/07/573357007.db2.gz FTPNMIAXRLVXIP-VXNVDRBHSA-N 0 0 178.235 1.503 10 0 ADAERN CC1(C)CC[N@@H+](C2CC2)C[C@@H]1C(=O)[O-] 259426800 573357013 /nfs/dbraw/zinc/35/70/13/573357013.db2.gz ZWZINKDZOWVVAJ-SECBINFHSA-N 0 0 197.278 1.582 10 0 ADAERN CN[C@@H](CF)c1cscn1 107119807 573357028 /nfs/dbraw/zinc/35/70/28/573357028.db2.gz MSQRIQXZUSUOTB-YFKPBYRVSA-N 0 0 160.217 1.373 10 0 ADAERN CCn1ccnc1[C@H]1CCC(=O)[C@@H]1C 83001684 573353774 /nfs/dbraw/zinc/35/37/74/573353774.db2.gz JLADCQOYNGGRCN-BDAKNGLRSA-N 0 0 192.262 1.986 10 0 ADAERN Cc1nccnc1S[C@H](C)[C@H](C)O 235571348 573357083 /nfs/dbraw/zinc/35/70/83/573357083.db2.gz FBBMBCAFOCWIAQ-JGVFFNPUSA-N 0 0 198.291 1.646 10 0 ADAERN CC(C)ONCCCC(F)F 688757632 573357091 /nfs/dbraw/zinc/35/70/91/573357091.db2.gz XBIDUUHTJALVAM-UHFFFAOYSA-N 0 0 167.199 1.961 10 0 ADAERN OCCc1nc(C2CCCCC2)no1 258009853 573357101 /nfs/dbraw/zinc/35/71/01/573357101.db2.gz MUJSQSYUYXRCSN-UHFFFAOYSA-N 0 0 196.250 1.652 10 0 ADAERN COc1cccc2c1[C@H]([C@@H](C)O)CN2 258010098 573357110 /nfs/dbraw/zinc/35/71/10/573357110.db2.gz IYPDVNFMJXGJCH-SFYZADRCSA-N 0 0 193.246 1.585 10 0 ADAERN OCc1cccc(C2(O)CC2)c1 259427372 573357113 /nfs/dbraw/zinc/35/71/13/573357113.db2.gz KPNDAEILAXILAJ-UHFFFAOYSA-N 0 0 164.204 1.160 10 0 ADAERN CC(C)Cc1nc2n(n1)CCC[C@H]2O 258638364 573357137 /nfs/dbraw/zinc/35/71/37/573357137.db2.gz WPMDVAVKSVVTTO-MRVPVSSYSA-N 0 0 195.266 1.304 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1SCCO 83000455 573357171 /nfs/dbraw/zinc/35/71/71/573357171.db2.gz ZWFBGHLGCWJANF-HTRCEHHLSA-N 0 0 174.265 1.080 10 0 ADAERN CC(C)[C@H](O)CC1CC1 82999790 573357186 /nfs/dbraw/zinc/35/71/86/573357186.db2.gz KTUFQGPKOWLMQV-MRVPVSSYSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@@]1(C2CCCC2)OC[C@@H](CO)O1 258010750 573357193 /nfs/dbraw/zinc/35/71/93/573357193.db2.gz ABYQDKMQWJWLTG-NXEZZACHSA-N 0 0 186.251 1.301 10 0 ADAERN C[C@H]1CCNc2ncccc2N1 107120246 573357198 /nfs/dbraw/zinc/35/71/98/573357198.db2.gz ZKYLZRDORPCURT-ZETCQYMHSA-N 0 0 163.224 1.698 10 0 ADAERN CO[C@H]1C[C@H]2CC[C@@H]1CC2=O 238368898 573357200 /nfs/dbraw/zinc/35/72/00/573357200.db2.gz XIQFGDYYCGQYIA-BHNWBGBOSA-N 0 0 154.209 1.391 10 0 ADAERN COc1ccc2c(c1)CC[C@]2(C)CO 238369551 573358736 /nfs/dbraw/zinc/35/87/36/573358736.db2.gz VMOKHYKRDYUAFY-GFCCVEGCSA-N 0 0 192.258 1.891 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCCC1(C)C 86307822 573358761 /nfs/dbraw/zinc/35/87/61/573358761.db2.gz XTJWKOLZLQPYTD-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN O=C1N[C@H](C[C@H]2CCSC2)CO1 258295217 573358762 /nfs/dbraw/zinc/35/87/62/573358762.db2.gz JCZADDHCQNCPPB-RNFRBKRXSA-N 0 0 187.264 1.238 10 0 ADAERN CCOC(=O)[C@@H](C)NCCC(F)F 308363741 573358773 /nfs/dbraw/zinc/35/87/73/573358773.db2.gz GGVWZZACVWXZRZ-ZCFIWIBFSA-N 0 0 195.209 1.183 10 0 ADAERN CCc1cc(CNO)c(OC)cc1F 258010470 573358792 /nfs/dbraw/zinc/35/87/92/573358792.db2.gz CRQMFPFWFHUSOA-UHFFFAOYSA-N 0 0 199.225 1.876 10 0 ADAERN CSc1cc(N)c2[nH]cnc2n1 238368784 573358826 /nfs/dbraw/zinc/35/88/26/573358826.db2.gz HQGLBCHPQIVLPE-UHFFFAOYSA-N 0 0 180.236 1.262 10 0 ADAERN COc1ccccc1[C@@H]1C[C@@H]1C(N)=O 238369093 573358835 /nfs/dbraw/zinc/35/88/35/573358835.db2.gz MALRQNROLJSVTF-IUCAKERBSA-N 0 0 191.230 1.284 10 0 ADAERN FC[C@@H](NC1CC1)C(F)(F)F 107123036 573358837 /nfs/dbraw/zinc/35/88/37/573358837.db2.gz FURUPELCPCSTLU-RXMQYKEDSA-N 0 0 171.137 1.639 10 0 ADAERN CC(C)c1ccc(CON)c(O)c1 258010035 573358846 /nfs/dbraw/zinc/35/88/46/573358846.db2.gz MYMYNKNTTGVKCF-UHFFFAOYSA-N 0 0 181.235 1.906 10 0 ADAERN CC(C)OCOc1ccc(C=O)nc1 308561197 573358852 /nfs/dbraw/zinc/35/88/52/573358852.db2.gz XMHYIHSCZRLDAX-UHFFFAOYSA-N 0 0 195.218 1.655 10 0 ADAERN C[C@]1(CO)Cc2c(O)cccc2N1 258295982 573358877 /nfs/dbraw/zinc/35/88/77/573358877.db2.gz UVKRXMOHCFXODA-SNVBAGLBSA-N 0 0 179.219 1.111 10 0 ADAERN COCNC(=O)Nc1cccc(C)c1 74626857 573358903 /nfs/dbraw/zinc/35/89/03/573358903.db2.gz IKVRLVHDYVAKNE-UHFFFAOYSA-N 0 0 194.234 1.720 10 0 ADAERN COc1ccn2cnnc2c1Cl 238369113 573358913 /nfs/dbraw/zinc/35/89/13/573358913.db2.gz LLTPFVMHKJWPQL-UHFFFAOYSA-N 0 0 183.598 1.391 10 0 ADAERN CCOC(=O)[C@H](C)NCCC(F)F 308363740 573358915 /nfs/dbraw/zinc/35/89/15/573358915.db2.gz GGVWZZACVWXZRZ-LURJTMIESA-N 0 0 195.209 1.183 10 0 ADAERN COC(=O)[C@H]1CC(=O)CC1(C)C 107122579 573358916 /nfs/dbraw/zinc/35/89/16/573358916.db2.gz SHNAJBNHXDQKGR-SSDOTTSWSA-N 0 0 170.208 1.165 10 0 ADAERN CC(C)Cc1cc(C=O)nn1C 107120849 573358940 /nfs/dbraw/zinc/35/89/40/573358940.db2.gz LWLILHFOSFAEMX-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN C[C@@H](CO)C(C)(C)C1(C)OCCO1 238368477 573358946 /nfs/dbraw/zinc/35/89/46/573358946.db2.gz FWWCIELAHZUQQN-QMMMGPOBSA-N 0 0 188.267 1.404 10 0 ADAERN c1cnc2c(c1)SCCCN2 107120938 573358957 /nfs/dbraw/zinc/35/89/57/573358957.db2.gz XEJPBYTZUQFOBZ-UHFFFAOYSA-N 0 0 166.249 1.989 10 0 ADAERN CC(C)Cc1cc(C=O)n(C)n1 107120845 573358977 /nfs/dbraw/zinc/35/89/77/573358977.db2.gz HNSWRZYBMHLRLX-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN CCCNC(=O)[C@H](O)CC(C)(C)C 308364363 573358979 /nfs/dbraw/zinc/35/89/79/573358979.db2.gz NNGBGTHVLURSQG-MRVPVSSYSA-N 0 0 187.283 1.310 10 0 ADAERN CC[C@@H](F)Cn1nnc(C2CC2)n1 308363795 573358983 /nfs/dbraw/zinc/35/89/83/573358983.db2.gz NBVSVEAJTWNRNB-SSDOTTSWSA-N 0 0 184.218 1.299 10 0 ADAERN COc1c(C)csc1CO 238369008 573358987 /nfs/dbraw/zinc/35/89/87/573358987.db2.gz ZOAZREUDAKOZOG-UHFFFAOYSA-N 0 0 158.222 1.557 10 0 ADAERN COC1(c2cccc(CNO)c2)CC1 259427375 573359016 /nfs/dbraw/zinc/35/90/16/573359016.db2.gz KPPKLBDOJPVVIH-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCCCNc1cncc(OC)n1 308367218 573359033 /nfs/dbraw/zinc/35/90/33/573359033.db2.gz OQPKUHGIBXVIEP-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN O=c1ccc([C@H]2CCSC2)n[nH]1 259426327 573359039 /nfs/dbraw/zinc/35/90/39/573359039.db2.gz JZNHRKUUGSJYRT-LURJTMIESA-N 0 0 182.248 1.403 10 0 ADAERN C[C@H](C1CC1)[C@@H](NN)c1cncnc1 129744138 573359053 /nfs/dbraw/zinc/35/90/53/573359053.db2.gz QWDSVAMDPHILNA-GMSGAONNSA-N 0 0 192.266 1.027 10 0 ADAERN CC(C)[C@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258297965 573359063 /nfs/dbraw/zinc/35/90/63/573359063.db2.gz ULQSRZSSYAFSIL-APPZFPTMSA-N 0 0 171.240 1.095 10 0 ADAERN COC(=O)c1cc2c(C)nsc2o1 259426294 573359067 /nfs/dbraw/zinc/35/90/67/573359067.db2.gz SYTWUSSNCNLIBU-UHFFFAOYSA-N 0 0 197.215 1.984 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@@H+]1CCCC1(C)C 86307824 573359068 /nfs/dbraw/zinc/35/90/68/573359068.db2.gz XTJWKOLZLQPYTD-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN Nc1cc([C@@H]2CCCO2)on1 259426064 573359084 /nfs/dbraw/zinc/35/90/84/573359084.db2.gz YWVNMPUOEITXLF-YFKPBYRVSA-N 0 0 154.169 1.108 10 0 ADAERN OCCc1cnc([C@@H]2CCCO2)s1 258299845 573359089 /nfs/dbraw/zinc/35/90/89/573359089.db2.gz ZRBAIORIAHXDGI-QMMMGPOBSA-N 0 0 199.275 1.529 10 0 ADAERN O=C1CC[C@H]2CCSC[C@H]2N1 107123352 573359091 /nfs/dbraw/zinc/35/90/91/573359091.db2.gz XLGYWNAKCKFPJG-NKWVEPMBSA-N 0 0 171.265 1.018 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[NH+]1CCCCCC1 86305840 573359108 /nfs/dbraw/zinc/35/91/08/573359108.db2.gz TUCYBNKFTQNXJE-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC1CC[NH+]([C@@H](C)[C@@H](C)C(=O)[O-])CC1 86305718 573359115 /nfs/dbraw/zinc/35/91/15/573359115.db2.gz KSKWUERUPMOYDC-ZJUUUORDSA-N 0 0 199.294 1.828 10 0 ADAERN CCOCCOC1CCC(O)CC1 129741788 573359123 /nfs/dbraw/zinc/35/91/23/573359123.db2.gz FTZWLIFDLAAXKW-UHFFFAOYSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@@H+]1CCC[C@@H](C)C1 86305819 573359130 /nfs/dbraw/zinc/35/91/30/573359130.db2.gz UKAODQKOCBVBOM-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN CCC[C@H](O)CC1CC1 82999805 573357058 /nfs/dbraw/zinc/35/70/58/573357058.db2.gz YDJYYGKSQWTGLC-QMMMGPOBSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1Sc1nc[nH]n1 83000500 573357063 /nfs/dbraw/zinc/35/70/63/573357063.db2.gz IFWXFDUOIRCBBA-FSPLSTOPSA-N 0 0 197.263 1.264 10 0 ADAERN O=C1CCNC[C@H]1c1ccccc1O 258294874 573359205 /nfs/dbraw/zinc/35/92/05/573359205.db2.gz VYYXYEKHHXOLLW-VIFPVBQESA-N 0 0 191.230 1.038 10 0 ADAERN Cn1c(CO)cc2ncc(Cl)cc21 214862065 573359221 /nfs/dbraw/zinc/35/92/21/573359221.db2.gz QUXRQBLPJUNPTA-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258297967 573359225 /nfs/dbraw/zinc/35/92/25/573359225.db2.gz ULQSRZSSYAFSIL-IONNQARKSA-N 0 0 171.240 1.095 10 0 ADAERN COCc1cnc2[nH]ccc2c1 117648667 573359261 /nfs/dbraw/zinc/35/92/61/573359261.db2.gz LIHBAXOTQRUXLD-UHFFFAOYSA-N 0 0 162.192 1.709 10 0 ADAERN CCCc1c(N)n[nH]c1-c1cc[nH]n1 86314571 573359282 /nfs/dbraw/zinc/35/92/82/573359282.db2.gz PIUSZINYUJCYFR-UHFFFAOYSA-N 0 0 191.238 1.335 10 0 ADAERN CSc1cc(C)c2c(N)n[nH]c2n1 238368440 573359287 /nfs/dbraw/zinc/35/92/87/573359287.db2.gz JYNHGXBCWXBZCS-UHFFFAOYSA-N 0 0 194.263 1.570 10 0 ADAERN O=C(NCCC1CC1)c1ccno1 308363694 573359302 /nfs/dbraw/zinc/35/93/02/573359302.db2.gz FZCAMWDYRJCCQL-UHFFFAOYSA-N 0 0 180.207 1.205 10 0 ADAERN COC[C@H](C)C[C@@H](O)c1cn(C)cn1 308562274 573359310 /nfs/dbraw/zinc/35/93/10/573359310.db2.gz WPRMGIMLLMGYCT-PSASIEDQSA-N 0 0 198.266 1.126 10 0 ADAERN COc1c(C)n(C)cc(C)c1=O 238369043 573359320 /nfs/dbraw/zinc/35/93/20/573359320.db2.gz GZKOGTWLJVGFRH-UHFFFAOYSA-N 0 0 167.208 1.011 10 0 ADAERN C[C@@]1(CO)Cc2c(O)cccc2N1 258295980 573359340 /nfs/dbraw/zinc/35/93/40/573359340.db2.gz UVKRXMOHCFXODA-JTQLQIEISA-N 0 0 179.219 1.111 10 0 ADAERN C[C@H](O)c1c[nH]c2cccc(O)c12 258301056 573359348 /nfs/dbraw/zinc/35/93/48/573359348.db2.gz VEPMTKFUTSONRH-LURJTMIESA-N 0 0 177.203 1.927 10 0 ADAERN C[C@@]1(CO)Cc2cc(O)ccc2N1 258007242 573359361 /nfs/dbraw/zinc/35/93/61/573359361.db2.gz CKVAIWMUQLJRIY-JTQLQIEISA-N 0 0 179.219 1.111 10 0 ADAERN CC(C)(F)CNc1cncnc1 107121975 573359375 /nfs/dbraw/zinc/35/93/75/573359375.db2.gz NUMNOTRPZWUNCL-UHFFFAOYSA-N 0 0 169.203 1.637 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@H+](C)CC1CC1 86306696 573359382 /nfs/dbraw/zinc/35/93/82/573359382.db2.gz AEGKMEOFVCTNCM-YUMQZZPRSA-N 0 0 185.267 1.437 10 0 ADAERN COCNC(=O)N(C)c1ccccc1 74626862 573359383 /nfs/dbraw/zinc/35/93/83/573359383.db2.gz JUNYULJHQUPSMW-UHFFFAOYSA-N 0 0 194.234 1.436 10 0 ADAERN C[C@@]1(CC2CCOCC2)CNC(=O)O1 258297515 573359384 /nfs/dbraw/zinc/35/93/84/573359384.db2.gz JFGOLCOPOQFBQP-SNVBAGLBSA-N 0 0 199.250 1.302 10 0 ADAERN O=C1CC[C@H]2CSCC[C@@H]2N1 107123338 573359393 /nfs/dbraw/zinc/35/93/93/573359393.db2.gz MMTORKQWZBTGOO-BQBZGAKWSA-N 0 0 171.265 1.018 10 0 ADAERN COC(=O)[C@H](C)n1ccc(C=O)c1 238799045 573359398 /nfs/dbraw/zinc/35/93/98/573359398.db2.gz BQXZPJLKEQNGIA-ZETCQYMHSA-N 0 0 181.191 1.035 10 0 ADAERN Cn1ccc2c1CCC(=O)C2 143697845 573359400 /nfs/dbraw/zinc/35/94/00/573359400.db2.gz KMUDSLDTARILBP-UHFFFAOYSA-N 0 0 149.193 1.083 10 0 ADAERN CCc1cccc(/C=C(\[NH3+])C(=O)[O-])c1 308365011 573359424 /nfs/dbraw/zinc/35/94/24/573359424.db2.gz MFGHFSKWOYXXFN-YFHOEESVSA-N 0 0 191.230 1.633 10 0 ADAERN C[C@@H](O)c1c[nH]c2cc(O)ccc12 258007355 573359439 /nfs/dbraw/zinc/35/94/39/573359439.db2.gz CMSIDUMEIYADRH-ZCFIWIBFSA-N 0 0 177.203 1.927 10 0 ADAERN CO[C@H](C(=O)c1cn(C)cn1)C(C)C 308562544 573359448 /nfs/dbraw/zinc/35/94/48/573359448.db2.gz WVGGWEWMDAXKMC-JTQLQIEISA-N 0 0 196.250 1.274 10 0 ADAERN O=C1CC[C@@H]2CSCC[C@@H]2N1 107123343 573359449 /nfs/dbraw/zinc/35/94/49/573359449.db2.gz MMTORKQWZBTGOO-RQJHMYQMSA-N 0 0 171.265 1.018 10 0 ADAERN CCOC(=O)NCc1ocnc1C 74599116 573359458 /nfs/dbraw/zinc/35/94/58/573359458.db2.gz GZIDQTQCXJIDBU-UHFFFAOYSA-N 0 0 184.195 1.229 10 0 ADAERN Oc1ccc2c(c1)NCCCCO2 258493754 573359481 /nfs/dbraw/zinc/35/94/81/573359481.db2.gz ZMEWBOUKKOWDRO-UHFFFAOYSA-N 0 0 179.219 1.977 10 0 ADAERN O=C1CC[C@@H]2CSCC[C@H]2N1 107123346 573359489 /nfs/dbraw/zinc/35/94/89/573359489.db2.gz MMTORKQWZBTGOO-RNFRBKRXSA-N 0 0 171.265 1.018 10 0 ADAERN CSCO[C@@H]1CCC[C@H]1O 238369251 573359499 /nfs/dbraw/zinc/35/94/99/573359499.db2.gz ONIKMOZTNPFOHN-RNFRBKRXSA-N 0 0 162.254 1.237 10 0 ADAERN C/C=C(/C)CNC(=O)OC 214436099 573359501 /nfs/dbraw/zinc/35/95/01/573359501.db2.gz MCYTUYDSSNMRLA-XQRVVYSFSA-N 0 0 143.186 1.309 10 0 ADAERN COCNC(=O)Nc1ccnc(C)c1 74627087 573359514 /nfs/dbraw/zinc/35/95/14/573359514.db2.gz CRTXOZWPZIKWPE-UHFFFAOYSA-N 0 0 195.222 1.115 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[NH+]1CCCCCC1 86305838 573359548 /nfs/dbraw/zinc/35/95/48/573359548.db2.gz TUCYBNKFTQNXJE-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ccc2c(c1)/C(=C/CO)C(=O)N2 308367285 573359568 /nfs/dbraw/zinc/35/95/68/573359568.db2.gz MEYMPFXLOXONFA-YWEYNIOJSA-N 0 0 189.214 1.323 10 0 ADAERN C[C@@H](CO)C1=CC=CC1 238369163 573359570 /nfs/dbraw/zinc/35/95/70/573359570.db2.gz RZBWHWPZSRVKNJ-ZETCQYMHSA-N 0 0 124.183 1.501 10 0 ADAERN CCCCc1nsc(N)n1 86314909 573359581 /nfs/dbraw/zinc/35/95/81/573359581.db2.gz XDXMVKLZAWFAMX-UHFFFAOYSA-N 0 0 157.242 1.463 10 0 ADAERN Nc1ccccc1-c1ccncn1 107123158 573359606 /nfs/dbraw/zinc/35/96/06/573359606.db2.gz RBAMFNOSONVWLR-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN C[C@@H]1CCc2c(c(N)nn2C)C1 107120639 573359623 /nfs/dbraw/zinc/35/96/23/573359623.db2.gz NDUVEFYFTNTBNZ-ZCFIWIBFSA-N 0 0 165.240 1.127 10 0 ADAERN O=C1CC[C@@H]2CCSC[C@H]2N1 107123356 573359631 /nfs/dbraw/zinc/35/96/31/573359631.db2.gz XLGYWNAKCKFPJG-RNFRBKRXSA-N 0 0 171.265 1.018 10 0 ADAERN C[C@@H](CO)C1=CCC=C1 238369181 573359663 /nfs/dbraw/zinc/35/96/63/573359663.db2.gz IRHYGZOKIILTNY-ZETCQYMHSA-N 0 0 124.183 1.501 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[NH+]1CCCC1 86305735 573359683 /nfs/dbraw/zinc/35/96/83/573359683.db2.gz FGUAVKHTUWWYPK-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN CCCCC[C@H](NN)c1cncnc1 129727865 573359704 /nfs/dbraw/zinc/35/97/04/573359704.db2.gz IGPBEQYUUDFMJV-JTQLQIEISA-N 0 0 194.282 1.561 10 0 ADAERN OC[C@H]1OCc2ccc(F)cc2CO1 258007853 573359706 /nfs/dbraw/zinc/35/97/06/573359706.db2.gz FHJFBMIRPZEAOT-JTQLQIEISA-N 0 0 198.193 1.191 10 0 ADAERN COC(C)(C)C(=O)OCC[C@H](C)F 308364876 573359725 /nfs/dbraw/zinc/35/97/25/573359725.db2.gz NSXDNVMMDVDTKC-ZETCQYMHSA-N 0 0 192.230 1.703 10 0 ADAERN COc1cc(N)cc2c1C(=O)CCC2 238368637 573359726 /nfs/dbraw/zinc/35/97/26/573359726.db2.gz TVINUZIDEBPLAM-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN COc1cc(C)c(NC#N)cc1O 238369412 573359746 /nfs/dbraw/zinc/35/97/46/573359746.db2.gz QEECNIVJURXUCD-UHFFFAOYSA-N 0 0 178.191 1.602 10 0 ADAERN CCO[C@H]1C[C@@H](NOC)C1(C)C 132976391 573363906 /nfs/dbraw/zinc/36/39/06/573363906.db2.gz VKVNYCVSJZYTLX-SFYZADRCSA-N 0 0 173.256 1.341 10 0 ADAERN NC(=O)OC/C=C/c1ccc(F)cc1 308368571 573363909 /nfs/dbraw/zinc/36/39/09/573363909.db2.gz NQBOLKYQVUSTMD-OWOJBTEDSA-N 0 0 195.193 1.934 10 0 ADAERN COC[C@H](C)C[C@H](O)c1cn(C)cn1 308562275 573363919 /nfs/dbraw/zinc/36/39/19/573363919.db2.gz WPRMGIMLLMGYCT-SCZZXKLOSA-N 0 0 198.266 1.126 10 0 ADAERN COC[C@H](C)[C@@H]1CC[C@H](O)[C@@H]1C 83037026 573363921 /nfs/dbraw/zinc/36/39/21/573363921.db2.gz ZMLHHUSBMLFRSJ-JXUBOQSCSA-N 0 0 172.268 1.676 10 0 ADAERN CC(C)[C@@H](CO)C(=O)c1cccnc1 259090193 573363945 /nfs/dbraw/zinc/36/39/45/573363945.db2.gz IZMNCAPECACGDG-SNVBAGLBSA-N 0 0 193.246 1.529 10 0 ADAERN COC[C@H](C)[C@@H]1CC[C@H](O)[C@H]1C 83037029 573363968 /nfs/dbraw/zinc/36/39/68/573363968.db2.gz ZMLHHUSBMLFRSJ-XKNYDFJKSA-N 0 0 172.268 1.676 10 0 ADAERN CCOC(=O)N(C)C[C@H](C)COC 308368654 573363986 /nfs/dbraw/zinc/36/39/86/573363986.db2.gz PHGGTZRUCPIBPM-QMMMGPOBSA-N 0 0 189.255 1.357 10 0 ADAERN CC(C)Cc1nc2n(n1)CCC[C@@H]2O 258638366 573363989 /nfs/dbraw/zinc/36/39/89/573363989.db2.gz WPMDVAVKSVVTTO-QMMMGPOBSA-N 0 0 195.266 1.304 10 0 ADAERN Oc1ccccc1-c1nncs1 107126217 573363996 /nfs/dbraw/zinc/36/39/96/573363996.db2.gz DZYFKLJGNCDPMP-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN Nc1ccnc(NCC2CC=CC2)n1 717374869 573364007 /nfs/dbraw/zinc/36/40/07/573364007.db2.gz DPHPQOAFUMMBGD-UHFFFAOYSA-N 0 0 190.250 1.437 10 0 ADAERN CCCCC(=O)O[C@H]1C[C@@H](OC)C1 308368512 573364016 /nfs/dbraw/zinc/36/40/16/573364016.db2.gz PCPHYSAFONSXJF-DTORHVGOSA-N 0 0 186.251 1.897 10 0 ADAERN COC(=O)c1nccc(F)c1OC 238362292 573364017 /nfs/dbraw/zinc/36/40/17/573364017.db2.gz FQDYVCRNBGCRQI-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COC[C@@H](C)C[C@H](NN)c1ccoc1 132997551 573364019 /nfs/dbraw/zinc/36/40/19/573364019.db2.gz BQVYBAKECZANTB-WPRPVWTQSA-N 0 0 198.266 1.457 10 0 ADAERN Cc1ncoc1CC(=O)NC(C)(C)C 74645578 573364033 /nfs/dbraw/zinc/36/40/33/573364033.db2.gz SDOABFHTYHUJJK-UHFFFAOYSA-N 0 0 196.250 1.440 10 0 ADAERN CO[C@@H]1CC[C@@H]2CC[C@@H](O)C[C@@H]2C1 238362267 573364048 /nfs/dbraw/zinc/36/40/48/573364048.db2.gz BAEVJHHXPHGQBW-LNFKQOIKSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1cccc2c1[C@@H](CON)CO2 258007258 573364049 /nfs/dbraw/zinc/36/40/49/573364049.db2.gz CLBYZVPELXSNRG-MRVPVSSYSA-N 0 0 179.219 1.361 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@H]1C1CC1 83035603 573364053 /nfs/dbraw/zinc/36/40/53/573364053.db2.gz VYNUAKFYJAXQBD-ZQARSLAVSA-N 0 0 140.226 1.803 10 0 ADAERN COC[C@@H]1CNc2ccccc21 258315921 573364061 /nfs/dbraw/zinc/36/40/61/573364061.db2.gz XHMHQUAZYAHIFL-QMMMGPOBSA-N 0 0 163.220 1.842 10 0 ADAERN c1ccc2c(c1)C[C@H]1CN21 39077925 573364071 /nfs/dbraw/zinc/36/40/71/573364071.db2.gz OUJRXJSHQNMWOI-PEHGTWAWSA-N 0 0 131.178 1.431 10 0 ADAERN COc1cnc(CC(C)C)nc1N 107128392 573364116 /nfs/dbraw/zinc/36/41/16/573364116.db2.gz PWPVSOYCMKOHDC-UHFFFAOYSA-N 0 0 181.239 1.266 10 0 ADAERN C[C@@H](CO)Oc1ccccc1[C@@H](C)O 308562348 573364126 /nfs/dbraw/zinc/36/41/26/573364126.db2.gz WTRBIEPJBXKMMY-DTWKUNHWSA-N 0 0 196.246 1.500 10 0 ADAERN CO[C@@H]1CCC[C@]2(CCC2=O)C1 238362023 573364134 /nfs/dbraw/zinc/36/41/34/573364134.db2.gz JBIUYLNRTKOIQM-SCZZXKLOSA-N 0 0 168.236 1.925 10 0 ADAERN COc1cccc(C(F)(F)CO)c1 117755277 573364142 /nfs/dbraw/zinc/36/41/42/573364142.db2.gz AKLWBZHODREDAV-UHFFFAOYSA-N 0 0 188.173 1.779 10 0 ADAERN COC(=O)c1ncc2cccc(F)n12 238361533 573364162 /nfs/dbraw/zinc/36/41/62/573364162.db2.gz HZKIFCRHABHKIN-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN CCC[C@@H]([NH2+]Cc1nnc[nH]1)C1CC1 308562604 573364163 /nfs/dbraw/zinc/36/41/63/573364163.db2.gz WXGLZKYZBXOFDW-SECBINFHSA-N 0 0 194.282 1.473 10 0 ADAERN COC[C@H]1CNc2ccccc21 258315914 573364164 /nfs/dbraw/zinc/36/41/64/573364164.db2.gz XHMHQUAZYAHIFL-MRVPVSSYSA-N 0 0 163.220 1.842 10 0 ADAERN CC[C@@H](C)NC(=O)CCc1cocn1 74643656 573364194 /nfs/dbraw/zinc/36/41/94/573364194.db2.gz WEZUEAYZXWOZJJ-MRVPVSSYSA-N 0 0 196.250 1.522 10 0 ADAERN CCCNC(=O)Cc1scnc1C 74644942 573364216 /nfs/dbraw/zinc/36/42/16/573364216.db2.gz LLUSDHFRWVZGKX-UHFFFAOYSA-N 0 0 198.291 1.520 10 0 ADAERN COc1nc(C(F)F)c(N)cc1F 238362030 573364236 /nfs/dbraw/zinc/36/42/36/573364236.db2.gz JJOVVRPRNJDROV-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN C[C@@H](CO)Oc1ccccc1[C@H](C)O 308562349 573364238 /nfs/dbraw/zinc/36/42/38/573364238.db2.gz WTRBIEPJBXKMMY-IUCAKERBSA-N 0 0 196.246 1.500 10 0 ADAERN CO[C@H](C)C(=O)OC1(C2CC2)CC1 308368304 573364244 /nfs/dbraw/zinc/36/42/44/573364244.db2.gz PBBAALLSXNNGET-SSDOTTSWSA-N 0 0 184.235 1.507 10 0 ADAERN COc1cc(Cl)cc2c1C(=O)NC2 238361191 573364294 /nfs/dbraw/zinc/36/42/94/573364294.db2.gz NHKNOEOVBGZJLP-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN CCC[C@H]([NH2+]C1CC=CC1)C(=O)[O-] 132933564 573364304 /nfs/dbraw/zinc/36/43/04/573364304.db2.gz APIBKWUOSUZMEX-VIFPVBQESA-N 0 0 183.251 1.548 10 0 ADAERN NN[C@H](COC1CCC1)c1ccc[nH]1 714917085 573364322 /nfs/dbraw/zinc/36/43/22/573364322.db2.gz YRIROVFZZKTWDU-SNVBAGLBSA-N 0 0 195.266 1.088 10 0 ADAERN COC[C@H](CO)Cc1ccccc1C 129761274 573364328 /nfs/dbraw/zinc/36/43/28/573364328.db2.gz PRHLVPBKCPVAPG-NSHDSACASA-N 0 0 194.274 1.792 10 0 ADAERN CCC[C@H](N[C@@H](C)C(=O)OC)C1CC1 308562582 573364331 /nfs/dbraw/zinc/36/43/31/573364331.db2.gz WWFHFOIRAKGHCB-WPRPVWTQSA-N 0 0 199.294 1.716 10 0 ADAERN CCC[C@H](O)[C@H](OC)C(C)C 132989788 573364333 /nfs/dbraw/zinc/36/43/33/573364333.db2.gz RPRIRTITNUOEOM-DTWKUNHWSA-N 0 0 160.257 1.818 10 0 ADAERN OCCOc1ccc2ncoc2c1 259429377 573364340 /nfs/dbraw/zinc/36/43/40/573364340.db2.gz KFMHQRJRAYDNKT-UHFFFAOYSA-N 0 0 179.175 1.199 10 0 ADAERN CCOC(=O)N(C)C[C@@H](C)COC 308368653 573364348 /nfs/dbraw/zinc/36/43/48/573364348.db2.gz PHGGTZRUCPIBPM-MRVPVSSYSA-N 0 0 189.255 1.357 10 0 ADAERN C/C=C/CCNc1ncncc1OC 308562735 573364350 /nfs/dbraw/zinc/36/43/50/573364350.db2.gz YLBCHKPITWXMEJ-ONEGZZNKSA-N 0 0 193.250 1.863 10 0 ADAERN O=C1N[C@@H](Cc2ccc(F)cc2)CO1 258315023 573364385 /nfs/dbraw/zinc/36/43/85/573364385.db2.gz JYVIEBXYKIUVKR-VIFPVBQESA-N 0 0 195.193 1.477 10 0 ADAERN CCC[C@](O)(c1nccn1C)C1CC1 308562785 573364391 /nfs/dbraw/zinc/36/43/91/573364391.db2.gz WZBLJZWYUIRRCW-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN CCN(C)C(=O)/C=C/c1cncs1 308369338 573364395 /nfs/dbraw/zinc/36/43/95/573364395.db2.gz PNRZOVZNAJGJIO-SNAWJCMRSA-N 0 0 196.275 1.635 10 0 ADAERN C[N@H+](CCCC(=O)[O-])[C@@H]1CCC1(C)C 308563423 573364399 /nfs/dbraw/zinc/36/43/99/573364399.db2.gz YTTHNAXLGLPWNP-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CO[C@@H]1CC[C@@H]2CCC(=O)[C@@]21C 238362214 573364405 /nfs/dbraw/zinc/36/44/05/573364405.db2.gz XWPXVFCWDIFOKL-FXBDTBDDSA-N 0 0 168.236 1.781 10 0 ADAERN CN(C)c1cccc2c1C(=O)CC2 107125190 573364417 /nfs/dbraw/zinc/36/44/17/573364417.db2.gz GZAIJNBQTIXQLK-UHFFFAOYSA-N 0 0 175.231 1.882 10 0 ADAERN CCN[C@@H](CF)c1cscn1 107124831 573364429 /nfs/dbraw/zinc/36/44/29/573364429.db2.gz AZGXKUKMLAUTJO-LURJTMIESA-N 0 0 174.244 1.763 10 0 ADAERN COc1cccc2c1C=CNC(=O)C2 238361738 573364445 /nfs/dbraw/zinc/36/44/45/573364445.db2.gz AWHFNUCSIJCSEG-UHFFFAOYSA-N 0 0 189.214 1.338 10 0 ADAERN CC(=O)c1cc2c([nH]1)CCCC2=O 107125770 573364448 /nfs/dbraw/zinc/36/44/48/573364448.db2.gz UBSALOQGJKUYMX-UHFFFAOYSA-N 0 0 177.203 1.736 10 0 ADAERN O=C1CC(=O)N[C@H](C2CCCC2)C1 107128294 573364454 /nfs/dbraw/zinc/36/44/54/573364454.db2.gz PDEXGVXOCQXANW-VIFPVBQESA-N 0 0 181.235 1.024 10 0 ADAERN COC[C@@H](CO)Cc1ccco1 258316331 573365408 /nfs/dbraw/zinc/36/54/08/573365408.db2.gz PBRGTXRPXQASSO-MRVPVSSYSA-N 0 0 170.208 1.077 10 0 ADAERN CC(=O)CNC(=O)Nc1ccccc1 83021772 573365442 /nfs/dbraw/zinc/36/54/42/573365442.db2.gz JJQBMTUTBBXVFN-UHFFFAOYSA-N 0 0 192.218 1.397 10 0 ADAERN COP(=O)(OC)[C@H]1CCCC[NH2+]1 238360991 573365458 /nfs/dbraw/zinc/36/54/58/573365458.db2.gz KFLVJHYDVNGGDS-ZETCQYMHSA-N 0 0 193.183 1.572 10 0 ADAERN Cc1ccc2c(c1)OC[C@H](CO)N2 107126746 573365462 /nfs/dbraw/zinc/36/54/62/573365462.db2.gz KLXSAIKATOTSEM-QMMMGPOBSA-N 0 0 179.219 1.160 10 0 ADAERN CCN[C@H](CF)c1cscn1 107124835 573365476 /nfs/dbraw/zinc/36/54/76/573365476.db2.gz AZGXKUKMLAUTJO-ZCFIWIBFSA-N 0 0 174.244 1.763 10 0 ADAERN CC(C)=C[C@@H](O)c1cc(C)n(C)n1 642815526 573365485 /nfs/dbraw/zinc/36/54/85/573365485.db2.gz FGMSNPUCIYSTKS-SNVBAGLBSA-N 0 0 180.251 1.150 10 0 ADAERN COc1ccc(N)c(C)c1OC 238362312 573365489 /nfs/dbraw/zinc/36/54/89/573365489.db2.gz MRQDROITNPTAQX-UHFFFAOYSA-N 0 0 167.208 1.594 10 0 ADAERN CO[C@@H]1CC(=O)[C@H](C(C)C)C1 238362064 573365503 /nfs/dbraw/zinc/36/55/03/573365503.db2.gz DRBUVNZOBSILDQ-YUMQZZPRSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)NC(=O)CCc1cocn1 74643648 573365506 /nfs/dbraw/zinc/36/55/06/573365506.db2.gz OEBJWRDEQAPHGD-UHFFFAOYSA-N 0 0 182.223 1.132 10 0 ADAERN CC(C)(C)[C@@H](O)c1cnsn1 642815913 573365507 /nfs/dbraw/zinc/36/55/07/573365507.db2.gz VMZOUFSAXDWUDI-LURJTMIESA-N 0 0 172.253 1.113 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1cnn(C)c1 83037204 573365518 /nfs/dbraw/zinc/36/55/18/573365518.db2.gz XKIPVSRKVUCXKW-HGNGGELXSA-N 0 0 180.251 1.295 10 0 ADAERN CCCc1c(N)noc1-c1cn[nH]c1 86326084 573365522 /nfs/dbraw/zinc/36/55/22/573365522.db2.gz DJTQKHBGKNUVPI-UHFFFAOYSA-N 0 0 192.222 1.599 10 0 ADAERN Cc1noc2cc(N)cc(F)c12 259429250 573365523 /nfs/dbraw/zinc/36/55/23/573365523.db2.gz NTNGCJCHLGDOIH-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@@H](C2CCC2)C[NH2+]1 258316306 573365535 /nfs/dbraw/zinc/36/55/35/573365535.db2.gz VTDIPYGNYGDTID-SCZZXKLOSA-N 0 0 183.251 1.239 10 0 ADAERN C[S@@](=O)CCCOc1ccccc1 196774199 573365536 /nfs/dbraw/zinc/36/55/36/573365536.db2.gz YRWAJSRWWMEMFC-CYBMUJFWSA-N 0 0 198.287 1.834 10 0 ADAERN Nc1ccccc1-c1nncs1 107125868 573365540 /nfs/dbraw/zinc/36/55/40/573365540.db2.gz KIYCCWRITIVNNK-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN COCCC[C@@H]1CC[C@H](O)[C@@H]1C 83035713 573365541 /nfs/dbraw/zinc/36/55/41/573365541.db2.gz QQAWMRHMCMYGJH-BBBLOLIVSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)C(=O)c1cccc(Cl)n1 238360577 573365549 /nfs/dbraw/zinc/36/55/49/573365549.db2.gz HOKIUQOABHDLQC-UHFFFAOYSA-N 0 0 199.593 1.091 10 0 ADAERN Fc1ccc([C@@H]2CCNO2)cc1 258639774 573365571 /nfs/dbraw/zinc/36/55/71/573365571.db2.gz YQIQFUDJSAHKHN-VIFPVBQESA-N 0 0 167.183 1.792 10 0 ADAERN C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC)C1 308368303 573365577 /nfs/dbraw/zinc/36/55/77/573365577.db2.gz PBAZMVJKFJDXDE-VXJQEGAJSA-N 0 0 184.235 1.673 10 0 ADAERN CO[C@@H]1CCC[C@@]2(CCC2=O)C1 238361730 573365581 /nfs/dbraw/zinc/36/55/81/573365581.db2.gz JBIUYLNRTKOIQM-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN CC[C@H]1Oc2cccnc2N(C)C1=O 258639969 573365621 /nfs/dbraw/zinc/36/56/21/573365621.db2.gz CRVYDYPYQNEIKP-SSDOTTSWSA-N 0 0 192.218 1.215 10 0 ADAERN CCc1nc2ccc(CO)cc2n1C 258638503 573365633 /nfs/dbraw/zinc/36/56/33/573365633.db2.gz QTBXKHSHQVXOTO-UHFFFAOYSA-N 0 0 190.246 1.628 10 0 ADAERN COP(=O)(OC)[C@H]1CCC[NH2+]1 238361014 573365634 /nfs/dbraw/zinc/36/56/34/573365634.db2.gz GNIGDKYCFVETOK-LURJTMIESA-N 0 0 179.156 1.182 10 0 ADAERN COC[C@@H](N)c1noc(C(C)(C)C)n1 129766482 573365638 /nfs/dbraw/zinc/36/56/38/573365638.db2.gz CPLGGTJGWPEZOL-ZCFIWIBFSA-N 0 0 199.254 1.013 10 0 ADAERN COC(=O)[C@@H](N)C1(F)CCCCC1 238361481 573365669 /nfs/dbraw/zinc/36/56/69/573365669.db2.gz ALRMFCAWBQNCIO-SSDOTTSWSA-N 0 0 189.230 1.159 10 0 ADAERN CCCNC(=O)CCc1coc(C)n1 74644097 573365673 /nfs/dbraw/zinc/36/56/73/573365673.db2.gz LLANVHBOBGOKMA-UHFFFAOYSA-N 0 0 196.250 1.442 10 0 ADAERN Cc1ncoc1CC(=O)N1CCCC1 74645401 573365699 /nfs/dbraw/zinc/36/56/99/573365699.db2.gz OOAZGXPPNCVEKR-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 ADAERN COc1nc(C(F)F)c(N)cc1O 238362109 573365713 /nfs/dbraw/zinc/36/57/13/573365713.db2.gz JHNFCPDCWXWCIW-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN Cc1ccsc1N(C)C(N)=O 258639761 573365724 /nfs/dbraw/zinc/36/57/24/573365724.db2.gz FTTWKAULFCJAIF-UHFFFAOYSA-N 0 0 170.237 1.571 10 0 ADAERN C[C@H](O)/C=C\c1ccco1 220071099 573365784 /nfs/dbraw/zinc/36/57/84/573365784.db2.gz YAOCGHWLTAALFS-MJSGSUOKSA-N 0 0 138.166 1.674 10 0 ADAERN O=C1CC(=O)N[C@@H](C2CCCC2)C1 107128297 573365787 /nfs/dbraw/zinc/36/57/87/573365787.db2.gz PDEXGVXOCQXANW-SECBINFHSA-N 0 0 181.235 1.024 10 0 ADAERN Cc1ccc(N)c2nn(C)c(C)c12 259429083 573365796 /nfs/dbraw/zinc/36/57/96/573365796.db2.gz NODNBUIWFKMIHJ-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN COc1nc2c(cc1C=O)CCC2 107125807 573365798 /nfs/dbraw/zinc/36/57/98/573365798.db2.gz XUSHCROPZDCPHG-UHFFFAOYSA-N 0 0 177.203 1.391 10 0 ADAERN CC(C)(O)C1(c2ccco2)COC1 258492880 573365799 /nfs/dbraw/zinc/36/57/99/573365799.db2.gz CXAVVAZBTUBFBA-UHFFFAOYSA-N 0 0 182.219 1.319 10 0 ADAERN Cc1ccc2c(c1)NCCNC2=O 107125391 573365830 /nfs/dbraw/zinc/36/58/30/573365830.db2.gz JRYKURWVTONNPZ-UHFFFAOYSA-N 0 0 176.219 1.150 10 0 ADAERN COc1cccc(CF)c1CCON 258008188 573365839 /nfs/dbraw/zinc/36/58/39/573365839.db2.gz CPDKJIZTMGVEBL-UHFFFAOYSA-N 0 0 199.225 1.598 10 0 ADAERN C[C@H](C[N@H+](C)[C@@H]1C[C@@H](C)[C@H]1C)C(=O)[O-] 308563947 573365879 /nfs/dbraw/zinc/36/58/79/573365879.db2.gz GXTDOFXDAAPFFB-ZYUZMQFOSA-N 0 0 199.294 1.683 10 0 ADAERN CC(C)CON[C@H](C)C1CC1 133104757 573365881 /nfs/dbraw/zinc/36/58/81/573365881.db2.gz RWPMQGIURLBJDW-MRVPVSSYSA-N 0 0 157.257 1.962 10 0 ADAERN CO[C@@H]1CC(c2ccccc2O)=NO1 238361296 573365887 /nfs/dbraw/zinc/36/58/87/573365887.db2.gz CXPHQUXQNRFIKV-JTQLQIEISA-N 0 0 193.202 1.489 10 0 ADAERN CCCCc1noc(C=O)n1 86324246 573365915 /nfs/dbraw/zinc/36/59/15/573365915.db2.gz AGHASDDTVNDQJM-UHFFFAOYSA-N 0 0 154.169 1.225 10 0 ADAERN CCONCc1c(C)n[nH]c1C 133045649 573365923 /nfs/dbraw/zinc/36/59/23/573365923.db2.gz LSSFACNWFDJJPJ-UHFFFAOYSA-N 0 0 169.228 1.068 10 0 ADAERN COc1ccc2[nH]c(=O)[nH]c2c1F 238362100 573365929 /nfs/dbraw/zinc/36/59/29/573365929.db2.gz DNHDDOHTYNHDDY-UHFFFAOYSA-N 0 0 182.154 1.004 10 0 ADAERN O=C1C[C@H](c2cc(Cl)cs2)N1 86334743 573365937 /nfs/dbraw/zinc/36/59/37/573365937.db2.gz HHYQMORRDSDJAJ-RXMQYKEDSA-N 0 0 187.651 1.963 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)Cc1ccccn1 689948404 573365941 /nfs/dbraw/zinc/36/59/41/573365941.db2.gz FETODWHPLMLOJU-GXSJLCMTSA-N 0 0 191.230 1.228 10 0 ADAERN O=C1CC(=O)N[C@@H](c2cccs2)C1 107138478 573373097 /nfs/dbraw/zinc/37/30/97/573373097.db2.gz QVYAQDPSDISNNG-SSDOTTSWSA-N 0 0 195.243 1.268 10 0 ADAERN C[C@H]1CCC[C@@H](ON)C1 86335605 573373098 /nfs/dbraw/zinc/37/30/98/573373098.db2.gz RZNXFQWJAUGFLS-NKWVEPMBSA-N 0 0 129.203 1.455 10 0 ADAERN CN[C@H](C)c1noc(C(C)C)n1 258015069 573373117 /nfs/dbraw/zinc/37/31/17/573373117.db2.gz NAYHTIYNDPKLSS-ZCFIWIBFSA-N 0 0 169.228 1.473 10 0 ADAERN C[C@H]1SCC[C@@]1(O)c1cccnc1 107138925 573373121 /nfs/dbraw/zinc/37/31/21/573373121.db2.gz XMYRITDKCFWQPH-SCZZXKLOSA-N 0 0 195.287 1.795 10 0 ADAERN COCc1ccc(C[C@H](C)O)cc1O 258016727 573373150 /nfs/dbraw/zinc/37/31/50/573373150.db2.gz HURGUQUSGGINRE-QMMMGPOBSA-N 0 0 196.246 1.462 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)c1cccnc1 107138927 573373155 /nfs/dbraw/zinc/37/31/55/573373155.db2.gz XMYRITDKCFWQPH-WPRPVWTQSA-N 0 0 195.287 1.795 10 0 ADAERN CCOCC[C@H](NN)c1ccco1 133079930 573373160 /nfs/dbraw/zinc/37/31/60/573373160.db2.gz WWFHAXZSRDEGHM-QMMMGPOBSA-N 0 0 184.239 1.211 10 0 ADAERN NOCc1ccn(-c2ccccc2)n1 86335659 573373163 /nfs/dbraw/zinc/37/31/63/573373163.db2.gz CPOUDVOQKWSECR-UHFFFAOYSA-N 0 0 189.218 1.263 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107138524 573373170 /nfs/dbraw/zinc/37/31/70/573373170.db2.gz QUFPOWMVJJDCJQ-IMSYWVGJSA-N 0 0 195.262 1.191 10 0 ADAERN NOCCc1ccc(O)cc1Cl 258013875 573373177 /nfs/dbraw/zinc/37/31/77/573373177.db2.gz HNSOUEMYEZQVEB-UHFFFAOYSA-N 0 0 187.626 1.478 10 0 ADAERN C[S@](=O)c1ccc(N)c(F)c1 86336109 573373179 /nfs/dbraw/zinc/37/31/79/573373179.db2.gz BJRIJFXRLAOAJI-LLVKDONJSA-N 0 0 173.212 1.145 10 0 ADAERN Cc1cnc2c(ccn2C[C@H](C)O)c1 258015926 573373183 /nfs/dbraw/zinc/37/31/83/573373183.db2.gz BGSAVLOQMBDGKU-VIFPVBQESA-N 0 0 190.246 1.726 10 0 ADAERN COc1cccc2c1cc(CO)n2C 258014194 573373189 /nfs/dbraw/zinc/37/31/89/573373189.db2.gz XZLKCMSXIOAMEK-UHFFFAOYSA-N 0 0 191.230 1.679 10 0 ADAERN OC1(c2ccc(F)c3c2OCO3)CC1 258014277 573373192 /nfs/dbraw/zinc/37/31/92/573373192.db2.gz HRCYVHSRSWZAQZ-UHFFFAOYSA-N 0 0 196.177 1.536 10 0 ADAERN NOCc1ccncc1Cl 86335676 573373193 /nfs/dbraw/zinc/37/31/93/573373193.db2.gz UUFHHCHLBGALAI-UHFFFAOYSA-N 0 0 158.588 1.125 10 0 ADAERN NOC[C@@H]1OCCc2ccccc21 86335491 573373198 /nfs/dbraw/zinc/37/31/98/573373198.db2.gz VYTUKVHGILDOKR-JTQLQIEISA-N 0 0 179.219 1.191 10 0 ADAERN NOC[C@@H]1CSc2ccccc21 86335677 573373214 /nfs/dbraw/zinc/37/32/14/573373214.db2.gz OFPNJUMIJSIPPD-SSDOTTSWSA-N 0 0 181.260 1.766 10 0 ADAERN COc1cc(O)c2c(c1)[C@@H](C)OC2=O 238371843 573373216 /nfs/dbraw/zinc/37/32/16/573373216.db2.gz PFOVTGRSAYSTNK-RXMQYKEDSA-N 0 0 194.186 1.632 10 0 ADAERN C[S@@](=O)c1ccc(N)c(Cl)c1 86336121 573373218 /nfs/dbraw/zinc/37/32/18/573373218.db2.gz JMVSVYMDZVYOKH-NSHDSACASA-N 0 0 189.667 1.660 10 0 ADAERN CCN1CCCOc2cc(N)ccc21 117918497 573373224 /nfs/dbraw/zinc/37/32/24/573373224.db2.gz FUUKDMGUJYLHLP-UHFFFAOYSA-N 0 0 192.262 1.878 10 0 ADAERN C[NH+]1CC(c2cccc(CON)c2)C1 258014238 573373227 /nfs/dbraw/zinc/37/32/27/573373227.db2.gz HQUGHPAIDYHDLL-UHFFFAOYSA-N 0 0 192.262 1.106 10 0 ADAERN NOCc1ccc(Br)o1 86335381 573373233 /nfs/dbraw/zinc/37/32/33/573373233.db2.gz SFQNKIKKFFFILR-UHFFFAOYSA-N 0 0 192.012 1.432 10 0 ADAERN CO[C@H]1C(=O)N[C@H]1c1ccc(F)cc1 238372278 573373243 /nfs/dbraw/zinc/37/32/43/573373243.db2.gz AJMXRRTWTUTFAA-DTWKUNHWSA-N 0 0 195.193 1.012 10 0 ADAERN Cc1noc2c(CNO)cccc12 258015736 573373246 /nfs/dbraw/zinc/37/32/46/573373246.db2.gz NLQCBALUARLOGS-UHFFFAOYSA-N 0 0 178.191 1.615 10 0 ADAERN O=C1CC(=O)[C@H](C2CCCCC2)CN1 107138494 573373247 /nfs/dbraw/zinc/37/32/47/573373247.db2.gz HUEYXPXQECONIX-VIFPVBQESA-N 0 0 195.262 1.272 10 0 ADAERN NOCc1ccn(C2CCCC2)n1 86335257 573373250 /nfs/dbraw/zinc/37/32/50/573373250.db2.gz ROPNVUSUCPMARY-UHFFFAOYSA-N 0 0 181.239 1.389 10 0 ADAERN C[C@@H](O)Cc1ccc([C@@H](C)CO)cc1 258014043 573373256 /nfs/dbraw/zinc/37/32/56/573373256.db2.gz HPBRVEGDMXAHNO-VHSXEESVSA-N 0 0 194.274 1.706 10 0 ADAERN Cc1cc(CON)c2ccccc2n1 86335443 573373264 /nfs/dbraw/zinc/37/32/64/573373264.db2.gz GDVRIADYKVGDDK-UHFFFAOYSA-N 0 0 188.230 1.934 10 0 ADAERN CCn1nc(C)c(Cl)c1CON 86335331 573373272 /nfs/dbraw/zinc/37/32/72/573373272.db2.gz HNJDCSKXASCJRU-UHFFFAOYSA-N 0 0 189.646 1.255 10 0 ADAERN C[C@@H](CO)C[S@@](=O)C(C)(C)C 238372282 573373278 /nfs/dbraw/zinc/37/32/78/573373278.db2.gz CXVQBBGRVGKWLU-WRWORJQWSA-N 0 0 178.297 1.162 10 0 ADAERN COc1cc(N)c(C(F)F)c(=O)[nH]1 238371211 573373284 /nfs/dbraw/zinc/37/32/84/573373284.db2.gz XZZBKOLDIOYEPN-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COc1cnc(C2CCCC2)nc1N 107136642 573373296 /nfs/dbraw/zinc/37/32/96/573373296.db2.gz UEGGUPONPWDHJA-UHFFFAOYSA-N 0 0 193.250 1.725 10 0 ADAERN OCCCc1c(O)ccc2c1CCC2 258014057 573373299 /nfs/dbraw/zinc/37/32/99/573373299.db2.gz HPCQPZRXIWAKPV-UHFFFAOYSA-N 0 0 192.258 1.806 10 0 ADAERN CCONCC(CC)(CC)CO 133075599 573373300 /nfs/dbraw/zinc/37/33/00/573373300.db2.gz HJMWQQXEYSUFBG-UHFFFAOYSA-N 0 0 175.272 1.326 10 0 ADAERN C[C@@H](CO)CP(C)(C)=O 238371393 573373317 /nfs/dbraw/zinc/37/33/17/573373317.db2.gz CKZITWIYBZWGTN-LURJTMIESA-N 0 0 150.158 1.238 10 0 ADAERN COC(=O)[C@@H]1[C@@H]2C=CCC[C@@H]21 238370912 573373331 /nfs/dbraw/zinc/37/33/31/573373331.db2.gz LZELLMAWXJOCNE-GJMOJQLCSA-N 0 0 152.193 1.372 10 0 ADAERN C[C@H](CO)c1ccc(C[C@@H](C)O)cc1 258014032 573373332 /nfs/dbraw/zinc/37/33/32/573373332.db2.gz HPBRVEGDMXAHNO-NXEZZACHSA-N 0 0 194.274 1.706 10 0 ADAERN CC(C)=CCC1(C(=O)[O-])CC[NH2+]CC1 86336912 573373333 /nfs/dbraw/zinc/37/33/33/573373333.db2.gz HXKUOYHVEJEBCY-UHFFFAOYSA-N 0 0 197.278 1.797 10 0 ADAERN COC(=O)CCc1cc(C)nc(C)c1 259610209 573373337 /nfs/dbraw/zinc/37/33/37/573373337.db2.gz DUAOUMFFFPEBHK-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CC(C)(CO)c1cccc(CO)c1 259430070 573373365 /nfs/dbraw/zinc/37/33/65/573373365.db2.gz KXFYJGDPXFLFJU-UHFFFAOYSA-N 0 0 180.247 1.449 10 0 ADAERN CC(C)c1nc([C@@H](C)CO)co1 258015847 573373368 /nfs/dbraw/zinc/37/33/68/573373368.db2.gz JGWNPYICFXYARX-ZETCQYMHSA-N 0 0 169.224 1.894 10 0 ADAERN OCC[C@@H]1CO[C@H](C2CCCC2)O1 258014602 573373371 /nfs/dbraw/zinc/37/33/71/573373371.db2.gz AEQIAUZLNCKTSY-ZJUUUORDSA-N 0 0 186.251 1.301 10 0 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573374269 /nfs/dbraw/zinc/37/42/69/573374269.db2.gz LJPUHFKMLQEKPX-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN Cc1ccc2c(c1CON)OCCO2 258013919 573374287 /nfs/dbraw/zinc/37/42/87/573374287.db2.gz HOJXKNZWOSSYBG-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN O=C([O-])[C@@]1(CC2CCC2)CC[NH2+]C1 86341459 573374291 /nfs/dbraw/zinc/37/42/91/573374291.db2.gz ZFBMPEFDHWHUGG-SNVBAGLBSA-N 0 0 183.251 1.241 10 0 ADAERN CC(C)(O)Cc1ccc(O)cn1 117964576 573374293 /nfs/dbraw/zinc/37/42/93/573374293.db2.gz ZJKDQTQKUHDFSQ-UHFFFAOYSA-N 0 0 167.208 1.101 10 0 ADAERN CCON[C@H]1CCCC[C@@H]1OC 133070337 573374316 /nfs/dbraw/zinc/37/43/16/573374316.db2.gz IUARZYJSLYKINU-IUCAKERBSA-N 0 0 173.256 1.485 10 0 ADAERN COc1ccc2c(c1CNO)CCC2 258014281 573374346 /nfs/dbraw/zinc/37/43/46/573374346.db2.gz HREQEFBDWLJQEB-UHFFFAOYSA-N 0 0 193.246 1.663 10 0 ADAERN C[NH+]1CCC([C@@H](C(=O)[O-])C2CC2)CC1 107140584 573374379 /nfs/dbraw/zinc/37/43/79/573374379.db2.gz KSSSWXAAECPJJR-JTQLQIEISA-N 0 0 197.278 1.439 10 0 ADAERN 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/nfs/dbraw/zinc/37/49/24/573374924.db2.gz HLVSAGUUWBLDNH-NXEZZACHSA-N 0 0 191.230 1.181 10 0 ADAERN COc1cc(O)c2c(c1C)C(=O)OC2 238372336 573374927 /nfs/dbraw/zinc/37/49/27/573374927.db2.gz BOOWFUKCDFTFIA-UHFFFAOYSA-N 0 0 194.186 1.380 10 0 ADAERN CCC[C@@H](O)/C=C\[S@](C)=O 220073523 573374935 /nfs/dbraw/zinc/37/49/35/573374935.db2.gz VXOZEJFLXAPGRA-JVOQTYDRSA-N 0 0 162.254 1.040 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]1[N@H+]1C[C@H]2C[C@H]2C1 107138538 573374955 /nfs/dbraw/zinc/37/49/55/573374955.db2.gz UPPPNRZNOVFLIJ-UTINFBMNSA-N 0 0 195.262 1.191 10 0 ADAERN C/C=C\CCNC(=O)[C@H]1CCCCO1 308376962 573374963 /nfs/dbraw/zinc/37/49/63/573374963.db2.gz OKPXEUBQDBBHIV-MXQLGCADSA-N 0 0 197.278 1.638 10 0 ADAERN CCCCN(C)C(=O)Cc1ccc[nH]1 74701218 573374982 /nfs/dbraw/zinc/37/49/82/573374982.db2.gz JDLQYUREBCMXFR-UHFFFAOYSA-N 0 0 194.278 1.816 10 0 ADAERN CC[C@H]1C(=O)Nc2ncnc(Cl)c21 117923487 573374989 /nfs/dbraw/zinc/37/49/89/573374989.db2.gz IQKBJMXJOQXLEC-SCSAIBSYSA-N 0 0 197.625 1.576 10 0 ADAERN 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KQAYYMMDWMHIPH-ZETCQYMHSA-N 0 0 144.214 1.374 10 0 ADAERN CCC(=O)C[C@H]1CCOC1 86352910 573382882 /nfs/dbraw/zinc/38/28/82/573382882.db2.gz YLTLOMQXPGXSCR-SSDOTTSWSA-N 0 0 142.198 1.392 10 0 ADAERN CC[C@H](O)C[C@H](C)C(C)=O 86353569 573382890 /nfs/dbraw/zinc/38/28/90/573382890.db2.gz UGEBUVLNVNNGTQ-XPUUQOCRSA-N 0 0 144.214 1.373 10 0 ADAERN CO[C@](C)(c1ccccc1)[C@H](C)O 238375960 573382892 /nfs/dbraw/zinc/38/28/92/573382892.db2.gz OKWKUYAHPVGHSA-ONGXEEELSA-N 0 0 180.247 1.929 10 0 ADAERN CN(C)c1c(F)cccc1CON 259432224 573382898 /nfs/dbraw/zinc/38/28/98/573382898.db2.gz KYRGZWLVMKKLHW-UHFFFAOYSA-N 0 0 184.214 1.282 10 0 ADAERN CC[C@](O)(c1ccnn1C)C1CC1 83058618 573382903 /nfs/dbraw/zinc/38/29/03/573382903.db2.gz DZTVIIGLXXPICK-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN Cc1cnc(N)nc1C1CC1 83058784 573382917 /nfs/dbraw/zinc/38/29/17/573382917.db2.gz GRPGNUUIOROWMK-UHFFFAOYSA-N 0 0 149.197 1.245 10 0 ADAERN COC1=CC[C@@H](O)CC=C1 238375445 573382919 /nfs/dbraw/zinc/38/29/19/573382919.db2.gz 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/nfs/dbraw/zinc/38/54/35/573385435.db2.gz INTKTAJGCZSXPR-WCABBAIRSA-N 0 0 199.294 1.731 10 0 ADAERN Cc1nc2n(c1C)CCC2=O 107157409 573385444 /nfs/dbraw/zinc/38/54/44/573385444.db2.gz MMHJTTXWQFDTIY-UHFFFAOYSA-N 0 0 150.181 1.086 10 0 ADAERN O[C@H]1CCCC[C@@H]1Cc1ncccn1 86359829 573385448 /nfs/dbraw/zinc/38/54/48/573385448.db2.gz XHVPGTCHNCWZGS-ZJUUUORDSA-N 0 0 192.262 1.570 10 0 ADAERN O=C(CCc1ccncc1)C1CC1 86356644 573385453 /nfs/dbraw/zinc/38/54/53/573385453.db2.gz DHYHRCIYQQTNRT-UHFFFAOYSA-N 0 0 175.231 1.993 10 0 ADAERN CC(=O)[C@@H](C[C@H](C)O)C(C)C 86356390 573385461 /nfs/dbraw/zinc/38/54/61/573385461.db2.gz GSEZATGKYBCNPC-CBAPKCEASA-N 0 0 158.241 1.619 10 0 ADAERN CC[C@@H](O)C[C@H]1CCOC1 86359324 573385480 /nfs/dbraw/zinc/38/54/80/573385480.db2.gz DQNLEBIHSUQAPK-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN Clc1cc2c(cn1)COC2 107158542 573385490 /nfs/dbraw/zinc/38/54/90/573385490.db2.gz OUPDGSRXTAPEKG-UHFFFAOYSA-N 0 0 155.584 1.765 10 0 ADAERN O[C@@H]1CCC[C@@H]1CC1(O)CCCC1 86357686 573385502 /nfs/dbraw/zinc/38/55/02/573385502.db2.gz CDLGEOCQNOFNEH-NXEZZACHSA-N 0 0 184.279 1.843 10 0 ADAERN OCc1ccc2c(c1)NCCN2 259431889 573385510 /nfs/dbraw/zinc/38/55/10/573385510.db2.gz ZGIZIESBCHDTAO-UHFFFAOYSA-N 0 0 164.208 1.016 10 0 ADAERN CO[C@](C)(c1ccccc1)[C@@H](C)O 238375903 573385511 /nfs/dbraw/zinc/38/55/11/573385511.db2.gz OKWKUYAHPVGHSA-KOLCDFICSA-N 0 0 180.247 1.929 10 0 ADAERN O[C@@H]1CCC[C@H]1CC(F)F 86357705 573385512 /nfs/dbraw/zinc/38/55/12/573385512.db2.gz FZSVBMNSNWJMNT-NTSWFWBYSA-N 0 0 150.168 1.803 10 0 ADAERN OCCC[C@@H]1CCCC[C@@H]1O 86359685 573385527 /nfs/dbraw/zinc/38/55/27/573385527.db2.gz PBZREJKPWKGCSH-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN CC(C)(C)[C@@H](O)CCCO 86359057 573385558 /nfs/dbraw/zinc/38/55/58/573385558.db2.gz YZMQAPHVUWXTLY-ZETCQYMHSA-N 0 0 146.230 1.166 10 0 ADAERN O[C@@H](C[C@H]1CCC[C@H]1O)C(F)(F)F 86357741 573385562 /nfs/dbraw/zinc/38/55/62/573385562.db2.gz FHMZFMUICBRUDC-QYNIQEEDSA-N 0 0 198.184 1.461 10 0 ADAERN 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C[C@H](O)CC[C@@H]1CCCCO1 86358189 573385632 /nfs/dbraw/zinc/38/56/32/573385632.db2.gz KSRAZMDZHSPGDC-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN COc1ccc(OC)c(CNO)c1C 258011397 573385646 /nfs/dbraw/zinc/38/56/46/573385646.db2.gz HJVRFRLGBVKNHS-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN C[C@H](O)CCC1CCC1 86358196 573385658 /nfs/dbraw/zinc/38/56/58/573385658.db2.gz SYMPSRHZLJFQQV-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1cccc(CC[C@H](C)O)n1 86358139 573385667 /nfs/dbraw/zinc/38/56/67/573385667.db2.gz PATXGYCUBLFNSE-VIFPVBQESA-N 0 0 165.236 1.703 10 0 ADAERN CC(C)[C@H](O)C[C@@H]1CCOC1 86359540 573385675 /nfs/dbraw/zinc/38/56/75/573385675.db2.gz DXLJQPIODSTQRT-DTWKUNHWSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@H](O)Cc1ccc(Cl)c(N)c1 259432260 573385676 /nfs/dbraw/zinc/38/56/76/573385676.db2.gz KZJJDKAKQQFSJW-LURJTMIESA-N 0 0 185.654 1.846 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCC[C@@H]1O 86358213 573385721 /nfs/dbraw/zinc/38/57/21/573385721.db2.gz BJYPEHWVIQPVQU-VGMNWLOBSA-N 0 0 158.241 1.308 10 0 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/nfs/dbraw/zinc/40/28/17/573402817.db2.gz WTTHBTIHRWQGME-XHNCKOQMSA-N 0 0 188.267 1.340 10 0 ADAERN O=Cc1ccc(CCCCCCO)[nH]1 238657240 573402866 /nfs/dbraw/zinc/40/28/66/573402866.db2.gz WSFITTKBBIJDRO-UHFFFAOYSA-N 0 0 195.262 1.922 10 0 ADAERN COc1cccc([C@@H]([NH3+])C(=O)[O-])c1C 107184544 573402874 /nfs/dbraw/zinc/40/28/74/573402874.db2.gz DFUSPECOWLLUPH-SECBINFHSA-N 0 0 195.218 1.088 10 0 ADAERN COC(=O)Cc1nc(C(C)C)cn1C 259439584 573402882 /nfs/dbraw/zinc/40/28/82/573402882.db2.gz JYOOPOFPLZIHCY-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN CON(C)C(=O)Cc1ccsc1C 308382652 573402887 /nfs/dbraw/zinc/40/28/87/573402887.db2.gz VFHQIKIFNCENSC-UHFFFAOYSA-N 0 0 199.275 1.619 10 0 ADAERN CC(C)[C@H](CO)c1cccnc1 259095509 573402900 /nfs/dbraw/zinc/40/29/00/573402900.db2.gz DSUGHMNTBRGLSL-JTQLQIEISA-N 0 0 165.236 1.814 10 0 ADAERN COc1ccoc2ccc(N)c1-2 238388374 573402901 /nfs/dbraw/zinc/40/29/01/573402901.db2.gz MGRJVLQUYSZUSZ-UHFFFAOYSA-N 0 0 163.176 1.975 10 0 ADAERN CO[C@@H]1C(=O)C[C@@H](C)[C@@H]1C 238387455 573402926 /nfs/dbraw/zinc/40/29/26/573402926.db2.gz UHFIBDIXQNDVPA-CHKWXVPMSA-N 0 0 142.198 1.246 10 0 ADAERN CS(=O)(=O)c1cccc2occc12 238387302 573402939 /nfs/dbraw/zinc/40/29/39/573402939.db2.gz AQZUNARULGFQPI-UHFFFAOYSA-N 0 0 196.227 1.836 10 0 ADAERN Cc1c(F)cccc1[C@@H](C[NH3+])C(=O)[O-] 107187410 573402958 /nfs/dbraw/zinc/40/29/58/573402958.db2.gz NXHICVCSESRABG-MRVPVSSYSA-N 0 0 197.209 1.261 10 0 ADAERN COc1cc(-c2nnco2)ccc1O 238388220 573402963 /nfs/dbraw/zinc/40/29/63/573402963.db2.gz UNMFOXDRBNQGPM-UHFFFAOYSA-N 0 0 192.174 1.451 10 0 ADAERN C[C@@]1(CCO)OCc2ccccc2O1 258341589 573402975 /nfs/dbraw/zinc/40/29/75/573402975.db2.gz VLILTEXFHFGHBZ-LLVKDONJSA-N 0 0 194.230 1.694 10 0 ADAERN COCCc1noc(CC(C)C)n1 308380579 573403002 /nfs/dbraw/zinc/40/30/02/573403002.db2.gz UPQVOHCXAGEQBT-UHFFFAOYSA-N 0 0 184.239 1.457 10 0 ADAERN CN(C(N)=O)c1ccc2c(c1)CCC2 258644970 573403016 /nfs/dbraw/zinc/40/30/16/573403016.db2.gz GKXJBXVTUCSGER-UHFFFAOYSA-N 0 0 190.246 1.690 10 0 ADAERN CC[C@H](C)[C@@H]1NCN([C@@H]2C[C@@H]2C)C1=O 124275370 573403027 /nfs/dbraw/zinc/40/30/27/573403027.db2.gz SKXKKCJHLUSPQZ-QEYWKRMJSA-N 0 0 196.294 1.199 10 0 ADAERN C[C@@H]1CNCc2ccccc2[S@@]1=O 107185840 573403029 /nfs/dbraw/zinc/40/30/29/573403029.db2.gz HSSZYBFMNMBYFE-OQPBUACISA-N 0 0 195.287 1.286 10 0 ADAERN CONCCC(F)(F)F 83099480 573403035 /nfs/dbraw/zinc/40/30/35/573403035.db2.gz HYWUIPNDZLFPLZ-UHFFFAOYSA-N 0 0 143.108 1.090 10 0 ADAERN CC1=N[C@@H](C)C(c2ccccc2)=NN1 238388143 573403407 /nfs/dbraw/zinc/40/34/07/573403407.db2.gz VFYVXOTVVYIPEH-QMMMGPOBSA-N 0 0 187.246 1.801 10 0 ADAERN O=c1[nH]cc2cc(Cl)ccn12 258644053 573403426 /nfs/dbraw/zinc/40/34/26/573403426.db2.gz YXUQSKZNTHTZOQ-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN CONCc1ccc2ncccc2c1 83099518 573403434 /nfs/dbraw/zinc/40/34/34/573403434.db2.gz KWLSEIMGERHRMO-UHFFFAOYSA-N 0 0 188.230 1.886 10 0 ADAERN CC[C@H](O)C(=O)O[C@H]1C=CCCC1 308382640 573403446 /nfs/dbraw/zinc/40/34/46/573403446.db2.gz VEORYHQSVQEJLX-IUCAKERBSA-N 0 0 184.235 1.409 10 0 ADAERN COC(=O)CN[C@H]1Cc2ccccc21 308575680 573403448 /nfs/dbraw/zinc/40/34/48/573403448.db2.gz DHXRXXYURSEWKX-JTQLQIEISA-N 0 0 191.230 1.046 10 0 ADAERN CO[C@@H](O)c1ccc(O)cc1 238388123 573403453 /nfs/dbraw/zinc/40/34/53/573403453.db2.gz JZGABMCVLHBAIV-MRVPVSSYSA-N 0 0 154.165 1.030 10 0 ADAERN C[C@](N)(C(=O)C1CC1)C(F)(F)F 124278197 573403464 /nfs/dbraw/zinc/40/34/64/573403464.db2.gz UQUCDVMCUCWEHM-LURJTMIESA-N 0 0 181.157 1.245 10 0 ADAERN CN1CCCNc2cc(N)c(F)cc21 107184977 573403473 /nfs/dbraw/zinc/40/34/73/573403473.db2.gz AHFUEHRQJGDJEW-UHFFFAOYSA-N 0 0 195.241 1.660 10 0 ADAERN CCON[C@H]1CCCCC[C@H]1O 83116329 573403532 /nfs/dbraw/zinc/40/35/32/573403532.db2.gz FRGAMJFDVCICIS-DTWKUNHWSA-N 0 0 173.256 1.221 10 0 ADAERN Nc1ncccc1C1=CCOCC1 118432828 573403553 /nfs/dbraw/zinc/40/35/53/573403553.db2.gz BHBITIHQDQNFQO-UHFFFAOYSA-N 0 0 176.219 1.468 10 0 ADAERN CC/C=C(\C)C(=O)NC(C)(C)[C@H](C)O 308380282 573403554 /nfs/dbraw/zinc/40/35/54/573403554.db2.gz PFTIEHCKUUZXPG-FLOXNTQESA-N 0 0 199.294 1.618 10 0 ADAERN COC(=O)c1cc2c(cn1)CCCC2 238387991 573403565 /nfs/dbraw/zinc/40/35/65/573403565.db2.gz ALGOYQFNIOILEU-UHFFFAOYSA-N 0 0 191.230 1.747 10 0 ADAERN COC(=O)c1cc2c([nH]1)C(F)(F)C2 238387846 573403574 /nfs/dbraw/zinc/40/35/74/573403574.db2.gz DIUOAGYWPHZCJV-UHFFFAOYSA-N 0 0 187.145 1.449 10 0 ADAERN COc1ccc(C=O)c(CCO)c1 258020304 573403601 /nfs/dbraw/zinc/40/36/01/573403601.db2.gz OBCXEQIQIOXZPD-UHFFFAOYSA-N 0 0 180.203 1.043 10 0 ADAERN COC1=CC[C@@H]2CC(=O)[C@H]2C1 238388274 573404058 /nfs/dbraw/zinc/40/40/58/573404058.db2.gz RVAJGJSTTOOGPH-SVRRBLITSA-N 0 0 152.193 1.516 10 0 ADAERN CC(C)OCc1cnc(N)o1 258339883 573404061 /nfs/dbraw/zinc/40/40/61/573404061.db2.gz XQZFCXPHJHKEQH-UHFFFAOYSA-N 0 0 156.185 1.182 10 0 ADAERN C[C@@H]1N=CC=C(C(F)(F)F)N1 238388606 573404064 /nfs/dbraw/zinc/40/40/64/573404064.db2.gz ZMETVKDYMQMLRR-SCSAIBSYSA-N 0 0 164.130 1.453 10 0 ADAERN CN1CCC(=O)[C@@H]1c1cccc(F)c1 107180632 573404083 /nfs/dbraw/zinc/40/40/83/573404083.db2.gz SQCXKPGNMGEPIQ-NSHDSACASA-N 0 0 193.221 1.771 10 0 ADAERN COc1oc2ccccc2c1C(N)=O 238388703 573404094 /nfs/dbraw/zinc/40/40/94/573404094.db2.gz TXJWYXLCBZVRKU-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CNc1cc(F)c(C(=O)OC)cc1N 118426171 573404130 /nfs/dbraw/zinc/40/41/30/573404130.db2.gz YHOHVSYRDFQVHW-UHFFFAOYSA-N 0 0 198.197 1.236 10 0 ADAERN CC(C)Cc1c[nH]c(=S)[nH]1 118452014 573404138 /nfs/dbraw/zinc/40/41/38/573404138.db2.gz OMZNSDMJEHFWSP-UHFFFAOYSA-N 0 0 156.254 1.897 10 0 ADAERN O=C([O-])C[C@@H]1CC[NH2+][C@H]1c1ccco1 107184473 573404160 /nfs/dbraw/zinc/40/41/60/573404160.db2.gz BVYQHKQNDFBJMI-OIBJUYFYSA-N 0 0 195.218 1.405 10 0 ADAERN CON[C@@H]1CCC[C@H](OC)C1 83099452 573404165 /nfs/dbraw/zinc/40/41/65/573404165.db2.gz HSALYALUFSMTKR-SFYZADRCSA-N 0 0 159.229 1.095 10 0 ADAERN CCOC(=O)C1=C(N)CCC1(C)C 118468917 573404185 /nfs/dbraw/zinc/40/41/85/573404185.db2.gz OJEPJLFOOUBWOY-UHFFFAOYSA-N 0 0 183.251 1.582 10 0 ADAERN COc1nc(F)cc(N)c1C(F)F 238387266 573404224 /nfs/dbraw/zinc/40/42/24/573404224.db2.gz GXCYBTBSACLMQA-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN Nc1nc(Cl)nc2c1CSC2 257810546 573404228 /nfs/dbraw/zinc/40/42/28/573404228.db2.gz ALOAATTVFSJQFQ-UHFFFAOYSA-N 0 0 187.655 1.459 10 0 ADAERN COC1=CC[C@H]2CC(=O)[C@@H]2C1 238388422 573404232 /nfs/dbraw/zinc/40/42/32/573404232.db2.gz RVAJGJSTTOOGPH-POYBYMJQSA-N 0 0 152.193 1.516 10 0 ADAERN Nc1cc(C[C@@H]2CCCS2)on1 259440863 573404234 /nfs/dbraw/zinc/40/42/34/573404234.db2.gz ZYRNYDXECRIFPA-ZETCQYMHSA-N 0 0 184.264 1.695 10 0 ADAERN O=C1CNc2cccc(CO)c2S1 259438839 573404240 /nfs/dbraw/zinc/40/42/40/573404240.db2.gz ZTNPABGPYUPNAR-UHFFFAOYSA-N 0 0 195.243 1.223 10 0 ADAERN COc1cc(-c2ncc[nH]2)ccn1 238387955 573404253 /nfs/dbraw/zinc/40/42/53/573404253.db2.gz RTTKRDWMGVMOKT-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN C[C@H](O)C12CCC(CC1)C2 118399985 573404322 /nfs/dbraw/zinc/40/43/22/573404322.db2.gz OJSGRLRPALLGRM-UEJVZZJDSA-N 0 0 140.226 1.948 10 0 ADAERN CCONC1CCCCC1 83116249 573404349 /nfs/dbraw/zinc/40/43/49/573404349.db2.gz ZQENVYOPJYHIMG-UHFFFAOYSA-N 0 0 143.230 1.860 10 0 ADAERN Cc1ccc(CNC(=O)C(C)C)nn1 74865714 573404378 /nfs/dbraw/zinc/40/43/78/573404378.db2.gz HGJSOCJJNDAGSI-UHFFFAOYSA-N 0 0 193.250 1.057 10 0 ADAERN CCCCCCNOC 83099491 573404379 /nfs/dbraw/zinc/40/43/79/573404379.db2.gz PIRJREFRKPPKLV-UHFFFAOYSA-N 0 0 131.219 1.718 10 0 ADAERN Cc1ccc([C@H](C[NH3+])C(=O)[O-])cc1F 107187407 573404389 /nfs/dbraw/zinc/40/43/89/573404389.db2.gz ISRNQCIFXYJJNR-QMMMGPOBSA-N 0 0 197.209 1.261 10 0 ADAERN Nc1ncccc1N1CCC(F)CC1 118445360 573404393 /nfs/dbraw/zinc/40/43/93/573404393.db2.gz YKNGUODCDMRKBQ-UHFFFAOYSA-N 0 0 195.241 1.602 10 0 ADAERN COCc1ccc2c(c1)NC(=O)CO2 259096226 573404411 /nfs/dbraw/zinc/40/44/11/573404411.db2.gz ARPPCSCBDYUIPX-UHFFFAOYSA-N 0 0 193.202 1.164 10 0 ADAERN CC(C)[C@@H](CO)c1cccnc1 259095512 573404427 /nfs/dbraw/zinc/40/44/27/573404427.db2.gz DSUGHMNTBRGLSL-SNVBAGLBSA-N 0 0 165.236 1.814 10 0 ADAERN Nc1ccccc1[C@H]1C[C@H]1O 259440017 573404433 /nfs/dbraw/zinc/40/44/33/573404433.db2.gz USDFFZVBCWCJDG-VXNVDRBHSA-N 0 0 149.193 1.117 10 0 ADAERN CON[C@H]1CCC[C@H](C)C1 83099580 573404441 /nfs/dbraw/zinc/40/44/41/573404441.db2.gz ZGTJXNGKQCSLFS-YUMQZZPRSA-N 0 0 143.230 1.716 10 0 ADAERN COCCc1cn2c(n1)[C@H](C)CCC2 258340144 573404459 /nfs/dbraw/zinc/40/44/59/573404459.db2.gz KWOBLEBGWUXDPX-SECBINFHSA-N 0 0 194.278 1.969 10 0 ADAERN CN1CCC(=O)[C@@H]1c1ccccc1F 107180647 573404466 /nfs/dbraw/zinc/40/44/66/573404466.db2.gz JSKBHJYFAFBYDL-NSHDSACASA-N 0 0 193.221 1.771 10 0 ADAERN N#CNOCc1ccccc1 83099644 573404467 /nfs/dbraw/zinc/40/44/67/573404467.db2.gz XXHINUZKRMQJLU-UHFFFAOYSA-N 0 0 148.165 1.189 10 0 ADAERN O=C1CCN[C@@H]1Cc1ccccc1F 107180674 573404474 /nfs/dbraw/zinc/40/44/74/573404474.db2.gz OWEREECUEMNFBT-SNVBAGLBSA-N 0 0 193.221 1.299 10 0 ADAERN C/C=C/C=C/C[N@@H+]1CC[C@H](C(=O)[O-])C1 308382521 573404487 /nfs/dbraw/zinc/40/44/87/573404487.db2.gz XRLPUAOAGLYRSI-PQSAUHCHSA-N 0 0 195.262 1.525 10 0 ADAERN C[C@@H](O)C(=O)C[C@H](O)c1ccccc1 308576032 573404501 /nfs/dbraw/zinc/40/45/01/573404501.db2.gz HJCSPCQHZZYNOQ-KCJUWKMLSA-N 0 0 194.230 1.060 10 0 ADAERN COC[C@@H](C)Nc1cnccc1OC 308575684 573404529 /nfs/dbraw/zinc/40/45/29/573404529.db2.gz DIAOIOAQAXVUHY-MRVPVSSYSA-N 0 0 196.250 1.537 10 0 ADAERN CC(C)c1nnc2n1CCC[C@@H]2O 258340328 573404530 /nfs/dbraw/zinc/40/45/30/573404530.db2.gz KYJNJHBCRYKZPA-ZETCQYMHSA-N 0 0 181.239 1.229 10 0 ADAERN Cc1ccsc1C1(CCO)COC1 259096906 573404543 /nfs/dbraw/zinc/40/45/43/573404543.db2.gz FEJGEGYUJWGZGA-UHFFFAOYSA-N 0 0 198.287 1.707 10 0 ADAERN O=C1NOC[C@@H](c2ccc(F)cc2)O1 257810388 573404864 /nfs/dbraw/zinc/40/48/64/573404864.db2.gz AJCBTCWNGHVHAC-QMMMGPOBSA-N 0 0 197.165 1.538 10 0 ADAERN CCSc1cc2[nH]ccn2n1 118488736 573404880 /nfs/dbraw/zinc/40/48/80/573404880.db2.gz WSQDCBLNAQIMMI-UHFFFAOYSA-N 0 0 167.237 1.774 10 0 ADAERN Cc1nc(CN)c2ccc(=O)cc-2[nH]1 257810562 573404884 /nfs/dbraw/zinc/40/48/84/573404884.db2.gz AMKABZKQONFVDE-UHFFFAOYSA-N 0 0 189.218 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/nfs/dbraw/zinc/40/49/76/573404976.db2.gz JLQUWZLHFYNTAP-IYSWYEEDSA-N 0 0 144.239 1.717 10 0 ADAERN OCCCNOCc1ccccc1 83099617 573404985 /nfs/dbraw/zinc/40/49/85/573404985.db2.gz MCRJMWCXMXYTKP-UHFFFAOYSA-N 0 0 181.235 1.090 10 0 ADAERN C[C@@H]1CNCc2ccccc2[S@]1=O 107185843 573404995 /nfs/dbraw/zinc/40/49/95/573404995.db2.gz HSSZYBFMNMBYFE-AMIZOPFISA-N 0 0 195.287 1.286 10 0 ADAERN C[C@@H](O)C(=O)C[C@@H](O)c1ccccc1 308576034 573405014 /nfs/dbraw/zinc/40/50/14/573405014.db2.gz HJCSPCQHZZYNOQ-LDYMZIIASA-N 0 0 194.230 1.060 10 0 ADAERN C/C=C/COC(=O)[C@@H](C)CCOC 308382697 573405015 /nfs/dbraw/zinc/40/50/15/573405015.db2.gz VINIFWOUNOPFFH-MOVJSRMASA-N 0 0 186.251 1.778 10 0 ADAERN CCc1coc([C@H](C)N)n1 259096799 573405026 /nfs/dbraw/zinc/40/50/26/573405026.db2.gz DLRHYOAILQBMRT-YFKPBYRVSA-N 0 0 140.186 1.257 10 0 ADAERN O=C([O-])C1=C[C@H](C2CCC2)[NH2+]CC1 257810458 573405063 /nfs/dbraw/zinc/40/50/63/573405063.db2.gz AKNFXEXOIDRFSG-SECBINFHSA-N 0 0 181.235 1.159 10 0 ADAERN 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199.294 1.452 10 0 ADAERN COc1cc(O)c(C)c(C)c1C=O 238390040 573405135 /nfs/dbraw/zinc/40/51/35/573405135.db2.gz ZOPQTSSCGHIBGZ-UHFFFAOYSA-N 0 0 180.203 1.830 10 0 ADAERN CN(c1ccc(C=O)o1)C(C)(C)CO 133498711 573405174 /nfs/dbraw/zinc/40/51/74/573405174.db2.gz YSAFFRZIAGMBLY-UHFFFAOYSA-N 0 0 197.234 1.299 10 0 ADAERN CS[C@H]1C(=O)CC[C@@H]1C 238389189 573405182 /nfs/dbraw/zinc/40/51/82/573405182.db2.gz JLQUWZLHFYNTAP-CAHLUQPWSA-N 0 0 144.239 1.717 10 0 ADAERN NOCc1cc(O)ccc1Cl 258020322 573405189 /nfs/dbraw/zinc/40/51/89/573405189.db2.gz OBWGPEBKHDDFTP-UHFFFAOYSA-N 0 0 173.599 1.436 10 0 ADAERN C[C@@H]1C(=O)CC[C@@]2(C)C[C@@]12CO 238389999 573405194 /nfs/dbraw/zinc/40/51/94/573405194.db2.gz BVWXWHDABSVFGI-FKTZTGRPSA-N 0 0 168.236 1.374 10 0 ADAERN Cc1cc(NC(C)(C)C(=O)[O-])cc[nH+]1 107182988 573405197 /nfs/dbraw/zinc/40/51/97/573405197.db2.gz FLXNWOWPGQWHOS-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN C[C@@H](CO)[C@H](O)c1cccs1 238380744 573405224 /nfs/dbraw/zinc/40/52/24/573405224.db2.gz 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/nfs/dbraw/zinc/40/52/69/573405269.db2.gz HNIGJHUALRNBMK-MRVPVSSYSA-N 0 0 198.241 1.692 10 0 ADAERN COc1cc(O)c(C(F)F)c(=O)[nH]1 238389138 573405335 /nfs/dbraw/zinc/40/53/35/573405335.db2.gz QIPVKXUGFWNOSD-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN CC[C@](C[NH3+])(C(=O)[O-])C(C)(F)F 257810448 573405354 /nfs/dbraw/zinc/40/53/54/573405354.db2.gz AKFASEOLQHQFBA-ZETCQYMHSA-N 0 0 181.182 1.081 10 0 ADAERN COc1ccc(CF)c(N)c1 238388880 573405360 /nfs/dbraw/zinc/40/53/60/573405360.db2.gz CFFYTMLNWITMGC-UHFFFAOYSA-N 0 0 155.172 1.747 10 0 ADAERN CCC(CC)C(=O)N[C@H]1CC[N@H+](C)C1 74864802 573405364 /nfs/dbraw/zinc/40/53/64/573405364.db2.gz VEMUUFLKUAFLMF-JTQLQIEISA-N 0 0 198.310 1.243 10 0 ADAERN C[C@@H]1C(=O)CCC(C)(C)[C@@]1(C)O 238389319 573405372 /nfs/dbraw/zinc/40/53/72/573405372.db2.gz MQQOSXUQPWEIOO-XCBNKYQSSA-N 0 0 170.252 1.763 10 0 ADAERN NN[C@H](C1=CCCCCC1)C(F)F 236211135 573405373 /nfs/dbraw/zinc/40/53/73/573405373.db2.gz YVPNEVWEEIAMTD-MRVPVSSYSA-N 0 0 190.237 1.974 10 0 ADAERN 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194.234 1.585 10 0 ADAERN CCc1coc([C@@H](C)N)n1 259096796 573405639 /nfs/dbraw/zinc/40/56/39/573405639.db2.gz DLRHYOAILQBMRT-RXMQYKEDSA-N 0 0 140.186 1.257 10 0 ADAERN C/C=C/C=C/C[N@@H+]1CC[C@@H](C(=O)[O-])C1 308382520 573405648 /nfs/dbraw/zinc/40/56/48/573405648.db2.gz XRLPUAOAGLYRSI-FQTVTVBISA-N 0 0 195.262 1.525 10 0 ADAERN COC(=O)c1cc(C)c2nc[nH]c2n1 238380769 573405651 /nfs/dbraw/zinc/40/56/51/573405651.db2.gz RIQCSUDRAJXOQB-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN COc1cccc(C2COC2)c1 238389281 573405669 /nfs/dbraw/zinc/40/56/69/573405669.db2.gz PVSWLBBAJKBWQS-UHFFFAOYSA-N 0 0 164.204 1.809 10 0 ADAERN CSc1n[nH]c(=O)n1C 220171725 573405700 /nfs/dbraw/zinc/40/57/00/573405700.db2.gz FWUZXMIPCMYMBI-BYPYZUCNSA-N 0 0 145.187 1.151 10 0 ADAERN CCOC(=O)c1cnc(CC)n1CC 259441734 573405708 /nfs/dbraw/zinc/40/57/08/573405708.db2.gz VHGBMNSUHNSLCL-UHFFFAOYSA-N 0 0 196.250 1.642 10 0 ADAERN COC1=N[C@H](C(C)(C)C)NC[C@H]1C 238380590 573405720 /nfs/dbraw/zinc/40/57/20/573405720.db2.gz 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/nfs/dbraw/zinc/40/58/86/573405886.db2.gz HIGIGPQDCNWXJP-YWVKMMECSA-N 0 0 198.262 1.491 10 0 ADAERN COc1ccc(OC)n2cncc12 238389032 573405891 /nfs/dbraw/zinc/40/58/91/573405891.db2.gz DZTDEYMBASAAKJ-UHFFFAOYSA-N 0 0 178.191 1.352 10 0 ADAERN Cc1ccc(NC(=O)C=O)c(C)c1C 258646823 573405895 /nfs/dbraw/zinc/40/58/95/573405895.db2.gz GQUMZSVVXMGPEJ-UHFFFAOYSA-N 0 0 191.230 1.749 10 0 ADAERN Cc1ccc([C@@H]2COC[C@H]2O)cc1C 687959912 573405906 /nfs/dbraw/zinc/40/59/06/573405906.db2.gz KJRLIAUKYMYWLW-NWDGAFQWSA-N 0 0 192.258 1.778 10 0 ADAERN C[C@@H](O)CC[C@H]1CC(=O)OC1(C)C 238380921 573405913 /nfs/dbraw/zinc/40/59/13/573405913.db2.gz IGUKPCURDMMIMC-SFYZADRCSA-N 0 0 186.251 1.489 10 0 ADAERN CCCC[C@]1(CC)N=C(NC)NC1=O 133550423 573405915 /nfs/dbraw/zinc/40/59/15/573405915.db2.gz HIJXIQUTCIIENG-JTQLQIEISA-N 0 0 197.282 1.031 10 0 ADAERN COC1=C[C@@H]2C(=O)CC[C@H]2CC1 238389699 573405969 /nfs/dbraw/zinc/40/59/69/573405969.db2.gz LALGGUUXVDQLQV-APPZFPTMSA-N 0 0 166.220 1.906 10 0 ADAERN CCC[C@@H](C)NN1CCOCC1 214513168 573406082 /nfs/dbraw/zinc/40/60/82/573406082.db2.gz QAWPMNYYOBNMSU-SECBINFHSA-N 0 0 172.272 1.012 10 0 ADAERN CO[C@@H]1c2ccccc2O[C@@H]1O 238388953 573406089 /nfs/dbraw/zinc/40/60/89/573406089.db2.gz YRXBFDPNMDUVLF-BDAKNGLRSA-N 0 0 166.176 1.085 10 0 ADAERN COc1cccnc1[C@@H]1CCC(=O)N1 238380491 573406095 /nfs/dbraw/zinc/40/60/95/573406095.db2.gz ZKBKQXJDFKDYMM-ZETCQYMHSA-N 0 0 192.218 1.041 10 0 ADAERN O=C1CCN[C@H]1c1ccc(F)cc1F 107187301 573406103 /nfs/dbraw/zinc/40/61/03/573406103.db2.gz GQFBBZIJWLXVAF-JTQLQIEISA-N 0 0 197.184 1.568 10 0 ADAERN CO[C@]1(C)C(=O)C[C@@H]2CCC[C@@H]21 238389142 573406132 /nfs/dbraw/zinc/40/61/32/573406132.db2.gz SMPOOYDMFGEAAL-NRPADANISA-N 0 0 168.236 1.781 10 0 ADAERN COc1cccc([C@H]([NH3+])C(=O)[O-])c1C 107184542 573406136 /nfs/dbraw/zinc/40/61/36/573406136.db2.gz DFUSPECOWLLUPH-VIFPVBQESA-N 0 0 195.218 1.088 10 0 ADAERN COC(=O)[C@H](F)[C@H]1CCSC1 257810473 573406162 /nfs/dbraw/zinc/40/61/62/573406162.db2.gz 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118513413 573406217 /nfs/dbraw/zinc/40/62/17/573406217.db2.gz YFLAJACUIAQBCX-QMMMGPOBSA-N 0 0 175.231 1.462 10 0 ADAERN O=C1CCN[C@H]1Cc1ccccc1F 107180675 573406223 /nfs/dbraw/zinc/40/62/23/573406223.db2.gz OWEREECUEMNFBT-JTQLQIEISA-N 0 0 193.221 1.299 10 0 ADAERN Cc1cccc(N(O)N=O)c1 39090941 573406238 /nfs/dbraw/zinc/40/62/38/573406238.db2.gz FLSBAXTVSIJQAN-UHFFFAOYSA-N 0 0 152.153 1.872 10 0 ADAERN C[C@@H](O)c1ccccc1C1OCCO1 238389860 573406239 /nfs/dbraw/zinc/40/62/39/573406239.db2.gz IWEWXKLJPPFTSE-MRVPVSSYSA-N 0 0 194.230 1.785 10 0 ADAERN COCCCCC(=O)c1nccn1C 308574866 573407817 /nfs/dbraw/zinc/40/78/17/573407817.db2.gz GSOIELXTZNHVLZ-UHFFFAOYSA-N 0 0 196.250 1.420 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cnc(OC)nc1 308576268 573407849 /nfs/dbraw/zinc/40/78/49/573407849.db2.gz HPCNEHFYBLXOTG-VXNVDRBHSA-N 0 0 196.250 1.565 10 0 ADAERN CCn1ccc(NCCC[C@H](C)O)n1 308576310 573407857 /nfs/dbraw/zinc/40/78/57/573407857.db2.gz MWVZDYRGSFYRJO-VIFPVBQESA-N 0 0 197.282 1.476 10 0 ADAERN CC1(C)OC[C@@H](C/C=C/C=C\CO)O1 308575295 573407873 /nfs/dbraw/zinc/40/78/73/573407873.db2.gz HDPQFYKXZJHWOD-BSHBHJBZSA-N 0 0 198.262 1.633 10 0 ADAERN CCc1cnnc(Cl)n1 258646987 573407927 /nfs/dbraw/zinc/40/79/27/573407927.db2.gz ZHCAVRUFZGKWQW-UHFFFAOYSA-N 0 0 143.577 1.087 10 0 ADAERN Cc1ncc([C@@]2(O)C[C@@H]2C)s1 235590298 573407957 /nfs/dbraw/zinc/40/79/57/573407957.db2.gz SXWOHVFOKYDXHX-YLWLKBPMSA-N 0 0 169.249 1.679 10 0 ADAERN CO[C@@H]1[C@@H]2C=CC=C[C@H]1CC2=O 238389649 573407960 /nfs/dbraw/zinc/40/79/60/573407960.db2.gz FAEMGGAYLSYJCD-XKSSXDPKSA-N 0 0 164.204 1.333 10 0 ADAERN COC[C@H]1COc2cc(O)ccc2O1 238389447 573407971 /nfs/dbraw/zinc/40/79/71/573407971.db2.gz KSJDYGPORUYJKU-QMMMGPOBSA-N 0 0 196.202 1.178 10 0 ADAERN C[C@H](O)C(=O)C[C@@H](O)c1ccccc1 308576030 573408008 /nfs/dbraw/zinc/40/80/08/573408008.db2.gz HJCSPCQHZZYNOQ-GZMMTYOYSA-N 0 0 194.230 1.060 10 0 ADAERN C[C@@H](O)c1cccc2c1CC2=O 238389606 573408015 /nfs/dbraw/zinc/40/80/15/573408015.db2.gz IHTSKHNJUTUEEU-ZCFIWIBFSA-N 0 0 162.188 1.479 10 0 ADAERN COc1cccnc1[C@@H]1C[C@@H]1CO 238380767 573408042 /nfs/dbraw/zinc/40/80/42/573408042.db2.gz SZTXFJMZHKGSNR-HTQZYQBOSA-N 0 0 179.219 1.186 10 0 ADAERN Nc1nc2c(s1)CCC[C@@H]2O 83117273 573408058 /nfs/dbraw/zinc/40/80/58/573408058.db2.gz JRUBJRUQFFSUMH-BYPYZUCNSA-N 0 0 170.237 1.095 10 0 ADAERN CCNc1ccccc1C(=O)NOC 83116811 573410062 /nfs/dbraw/zinc/41/00/62/573410062.db2.gz UBAWJFKVHYGFAH-UHFFFAOYSA-N 0 0 194.234 1.410 10 0 ADAERN CON(C)C(=O)COCCC(C)C 308385675 573410104 /nfs/dbraw/zinc/41/01/04/573410104.db2.gz WWVYACTYJQETJD-UHFFFAOYSA-N 0 0 189.255 1.069 10 0 ADAERN Cc1cn2[nH]c(C)cc2n1 118497861 573410111 /nfs/dbraw/zinc/41/01/11/573410111.db2.gz AKHRXBGOUWUXJJ-UHFFFAOYSA-N 0 0 135.170 1.279 10 0 ADAERN Cc1ccc([C@@H](C)CO)nc1 238382234 573410127 /nfs/dbraw/zinc/41/01/27/573410127.db2.gz NIOGVWADSCUEIU-QMMMGPOBSA-N 0 0 151.209 1.486 10 0 ADAERN CCC[C@H]([NH2+]C)[C@H](C(=O)[O-])C(C)C 259440501 573410128 /nfs/dbraw/zinc/41/01/28/573410128.db2.gz ZTQGVBNVYKUEHM-DTWKUNHWSA-N 0 0 187.283 1.731 10 0 ADAERN COCCOC(=O)[C@H]1[C@@H](C)C1(F)F 308384798 573410135 /nfs/dbraw/zinc/41/01/35/573410135.db2.gz WHRVIXQGULBJSN-PHDIDXHHSA-N 0 0 194.177 1.077 10 0 ADAERN O[C@H]1CCCc2scnc21 83117296 573410138 /nfs/dbraw/zinc/41/01/38/573410138.db2.gz CLJAPVMFMBTFHK-YFKPBYRVSA-N 0 0 155.222 1.513 10 0 ADAERN COC[C@H]1C=C[C@@H]2C(=O)C[C@H]12 238382544 573410165 /nfs/dbraw/zinc/41/01/65/573410165.db2.gz KUIDHVKCCMSXCW-GJMOJQLCSA-N 0 0 152.193 1.024 10 0 ADAERN CC(C)Oc1ccnc(NCCF)n1 308577638 573410166 /nfs/dbraw/zinc/41/01/66/573410166.db2.gz IGHRUVWPKUVGJT-UHFFFAOYSA-N 0 0 199.229 1.645 10 0 ADAERN C[C@@H](CO)[C@]1(O)CCCC1(C)C 238381635 573411967 /nfs/dbraw/zinc/41/19/67/573411967.db2.gz GJJNJTXNKKTCHK-WCBMZHEXSA-N 0 0 172.268 1.556 10 0 ADAERN CO[C@]1(C)C(=O)[C@@H](C)[C@@H]1C 238381168 573411972 /nfs/dbraw/zinc/41/19/72/573411972.db2.gz TXWVVLNHPSZEMI-HAFWLYHUSA-N 0 0 142.198 1.246 10 0 ADAERN CCCN(C(N)=O)c1cccnc1 308384802 573411981 /nfs/dbraw/zinc/41/19/81/573411981.db2.gz WHSLKHXTDUTNCS-UHFFFAOYSA-N 0 0 179.223 1.377 10 0 ADAERN CO[C@]1(C)C(=O)[C@H](C)[C@@H]1C 238381148 573411995 /nfs/dbraw/zinc/41/19/95/573411995.db2.gz TXWVVLNHPSZEMI-CHKWXVPMSA-N 0 0 142.198 1.246 10 0 ADAERN Cc1ccc(C=O)cc1NC(N)=O 257811154 573411996 /nfs/dbraw/zinc/41/19/96/573411996.db2.gz AXHXAFXRTMYFRP-UHFFFAOYSA-N 0 0 178.191 1.298 10 0 ADAERN CCNc1cccc(C(=O)OCC)n1 308577853 573411999 /nfs/dbraw/zinc/41/19/99/573411999.db2.gz FFMGAAVMWAAUCQ-UHFFFAOYSA-N 0 0 194.234 1.690 10 0 ADAERN COC(=O)C1=CN[C@@H](C(C)(C)C)C=C1 238382597 573412015 /nfs/dbraw/zinc/41/20/15/573412015.db2.gz AHBSLEABBBKPCY-SECBINFHSA-N 0 0 195.262 1.617 10 0 ADAERN CCC1(Cn2nncc2CO)CCC1 308578858 573412024 /nfs/dbraw/zinc/41/20/24/573412024.db2.gz OCEJJPDORIVVMO-UHFFFAOYSA-N 0 0 195.266 1.351 10 0 ADAERN COC1CCC([C@H]2CCNC2=O)CC1 118595489 573412054 /nfs/dbraw/zinc/41/20/54/573412054.db2.gz FTOFWMSMXSHDEN-UDNWOFFPSA-N 0 0 197.278 1.328 10 0 ADAERN COC(=O)c1cc(C)nc2c1CC2 238381583 573412068 /nfs/dbraw/zinc/41/20/68/573412068.db2.gz JBAYETHBUYAFGV-UHFFFAOYSA-N 0 0 177.203 1.275 10 0 ADAERN CCOC(=O)N(C)C[C@@H]1CCOC1 308385632 573412102 /nfs/dbraw/zinc/41/21/02/573412102.db2.gz WUQLODSYQZDCDL-QMMMGPOBSA-N 0 0 187.239 1.111 10 0 ADAERN COCc1noc(/C=C\C(C)C)n1 308384828 573412111 /nfs/dbraw/zinc/41/21/11/573412111.db2.gz WJMIISCIIRATAG-PLNGDYQASA-N 0 0 182.223 1.885 10 0 ADAERN COc1cccnc1[C@H]1C[C@H]1CO 238381218 573412125 /nfs/dbraw/zinc/41/21/25/573412125.db2.gz SZTXFJMZHKGSNR-YUMQZZPRSA-N 0 0 179.219 1.186 10 0 ADAERN COC1=Nc2ccc(C)cc2C1=O 238382535 573412133 /nfs/dbraw/zinc/41/21/33/573412133.db2.gz HXAZKXNXENEYJU-UHFFFAOYSA-N 0 0 175.187 1.868 10 0 ADAERN C/C=C/[C@H](O)[C@@H]1OC1(C)C 118670027 573412135 /nfs/dbraw/zinc/41/21/35/573412135.db2.gz OVXDVGBIZUNBLF-UGLWGPHMSA-N 0 0 142.198 1.101 10 0 ADAERN CONCc1c(C)cc(O)c(C)c1C 259444108 573412172 /nfs/dbraw/zinc/41/21/72/573412172.db2.gz PCUODYOQDTVVEU-UHFFFAOYSA-N 0 0 195.262 1.968 10 0 ADAERN C[C@H]1CN(c2cccc(O)c2)C(=O)N1 257811086 573412180 /nfs/dbraw/zinc/41/21/80/573412180.db2.gz AXXGNOQKNRWVPE-ZETCQYMHSA-N 0 0 192.218 1.310 10 0 ADAERN CC(C)(C)[N@@H+]1C[C@@H](C(=O)[O-])CC1(C)C 259442266 573412181 /nfs/dbraw/zinc/41/21/81/573412181.db2.gz OOLUYJBJWZHGKZ-QMMMGPOBSA-N 0 0 199.294 1.970 10 0 ADAERN CCCCC[C@](C)(O)c1cn(C)nn1 308577094 573412184 /nfs/dbraw/zinc/41/21/84/573412184.db2.gz NFTIGRHWXOWMPC-JTQLQIEISA-N 0 0 197.282 1.603 10 0 ADAERN COC1CCC([C@@H]2CCNC2=O)CC1 118595486 573412205 /nfs/dbraw/zinc/41/22/05/573412205.db2.gz FTOFWMSMXSHDEN-RTBKNWGFSA-N 0 0 197.278 1.328 10 0 ADAERN COc1ccc([C@H]2CC[C@H](O)O2)cc1 238381325 573412239 /nfs/dbraw/zinc/41/22/39/573412239.db2.gz VKEZXSVHKOUERP-GHMZBOCLSA-N 0 0 194.230 1.865 10 0 ADAERN Nc1ncccc1[C@H](O)C1CCC1 83120790 573412243 /nfs/dbraw/zinc/41/22/43/573412243.db2.gz QJKCCTFIIXUVJK-SECBINFHSA-N 0 0 178.235 1.497 10 0 ADAERN COC(=O)C1=CNC(C)(C)S1 238382265 573412262 /nfs/dbraw/zinc/41/22/62/573412262.db2.gz SUTNEDPTOIBTCW-UHFFFAOYSA-N 0 0 173.237 1.073 10 0 ADAERN CC1(C)CCN(C(=O)C2CC2)CC1=O 259101776 573412265 /nfs/dbraw/zinc/41/22/65/573412265.db2.gz KGJYFGHDYDEJAM-UHFFFAOYSA-N 0 0 195.262 1.224 10 0 ADAERN CC1C[C@H](CO)C=CC=C[C@@H](CO)C1 308577220 573412269 /nfs/dbraw/zinc/41/22/69/573412269.db2.gz IAENDOASQQUYHX-PQDIPPBSSA-N 0 0 196.290 1.746 10 0 ADAERN C[C@@H](CO)c1ccc(C=O)cc1 238382262 573412283 /nfs/dbraw/zinc/41/22/83/573412283.db2.gz NNASJWMPVKLDID-QMMMGPOBSA-N 0 0 164.204 1.595 10 0 ADAERN CO[C@@]1(C)SCCCS[C@H]1O 238381000 573412295 /nfs/dbraw/zinc/41/22/95/573412295.db2.gz GWIKGVVYJXFZFX-RQJHMYQMSA-N 0 0 194.321 1.538 10 0 ADAERN C[C@@H](O)[C@H]1Cc2ccccc21 83121164 573412301 /nfs/dbraw/zinc/41/23/01/573412301.db2.gz CKPVKAMJHHSVJZ-GMSGAONNSA-N 0 0 148.205 1.707 10 0 ADAERN C[C@@H](O)CC[S@](=O)C(C)(C)C 238381550 573412302 /nfs/dbraw/zinc/41/23/02/573412302.db2.gz HTIQCUNGLMXXLM-HQJQHLMTSA-N 0 0 178.297 1.305 10 0 ADAERN C[C@@H](CO)c1ccc2nc(N)oc2c1 238382852 573412309 /nfs/dbraw/zinc/41/23/09/573412309.db2.gz LPPNAXVZCWRDGL-LURJTMIESA-N 0 0 192.218 1.506 10 0 ADAERN CC(C)[C@H](O)C1CCC1 83120656 573412313 /nfs/dbraw/zinc/41/23/13/573412313.db2.gz SVNJBFMEGQWAHL-QMMMGPOBSA-N 0 0 128.215 1.803 10 0 ADAERN CCc1c(N)nc(C2CCC2)[nH]c1=O 83120164 573412320 /nfs/dbraw/zinc/41/23/20/573412320.db2.gz GYPPAVZOBHSFIE-UHFFFAOYSA-N 0 0 193.250 1.182 10 0 ADAERN C[C@@H](O)CCn1nc2ccccc2n1 238382517 573412330 /nfs/dbraw/zinc/41/23/30/573412330.db2.gz PDUHPIPJCABPIV-MRVPVSSYSA-N 0 0 191.234 1.202 10 0 ADAERN COC1CCC([C@H]2CCOC2=O)CC1 118591900 573412332 /nfs/dbraw/zinc/41/23/32/573412332.db2.gz CQJTVULHCCIASV-UDNWOFFPSA-N 0 0 198.262 1.755 10 0 ADAERN COC[C@H](O)[C@@H]1[C@@H]2C=CC=CC[C@@H]21 238381186 573412343 /nfs/dbraw/zinc/41/23/43/573412343.db2.gz CBJBXVUCYHYAEJ-VPOLOUISSA-N 0 0 180.247 1.372 10 0 ADAERN CCc1ccnc(C2(CO)CCC2)n1 259097090 573412345 /nfs/dbraw/zinc/41/23/45/573412345.db2.gz NJCOKXNKZXBPGU-UHFFFAOYSA-N 0 0 192.262 1.453 10 0 ADAERN CC[C@H](N[C@H]1CCOC1=O)C(C)C 308386437 573412348 /nfs/dbraw/zinc/41/23/48/573412348.db2.gz XHLHGHDJMXAOQC-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@H](O)[C@H]1Cc2ccccc21 83121162 573412357 /nfs/dbraw/zinc/41/23/57/573412357.db2.gz CKPVKAMJHHSVJZ-OIBJUYFYSA-N 0 0 148.205 1.707 10 0 ADAERN COC(=O)[C@@H](N(C)C1CC1)C(C)(C)C 259097956 573412362 /nfs/dbraw/zinc/41/23/62/573412362.db2.gz PSGZWXCPANGKAR-SECBINFHSA-N 0 0 199.294 1.668 10 0 ADAERN COc1ccc([C@H]2CO[C@H](O)C2)cc1 238382324 573412363 /nfs/dbraw/zinc/41/23/63/573412363.db2.gz TZSVIUOSGSCVFJ-KOLCDFICSA-N 0 0 194.230 1.518 10 0 ADAERN Nc1ncccc1C[C@@H](O)C1CCC1 83120917 573414649 /nfs/dbraw/zinc/41/46/49/573414649.db2.gz OTYBYTSEOWLIFR-SNVBAGLBSA-N 0 0 192.262 1.367 10 0 ADAERN CC(=O)c1cc(=O)n(C)cc1Cl 257811211 573414663 /nfs/dbraw/zinc/41/46/63/573414663.db2.gz AZWCJZWSCAORCT-UHFFFAOYSA-N 0 0 185.610 1.241 10 0 ADAERN Cc1nc[nH]c1[C@@H]1CSCC[NH2+]1 257810683 573414675 /nfs/dbraw/zinc/41/46/75/573414675.db2.gz APCNNHUMBHLLCG-ZETCQYMHSA-N 0 0 183.280 1.096 10 0 ADAERN O[C@@H](c1cnccn1)C1CCC1 83120842 573414688 /nfs/dbraw/zinc/41/46/88/573414688.db2.gz WFFJTPDBUFXWMH-SECBINFHSA-N 0 0 164.208 1.310 10 0 ADAERN CC[C@H](N)c1nc(C2CCC2)no1 83120018 573414691 /nfs/dbraw/zinc/41/46/91/573414691.db2.gz CFDURNYLFBJVRB-ZETCQYMHSA-N 0 0 181.239 1.747 10 0 ADAERN CNCc1nc(C2CCC2)no1 83120059 573414737 /nfs/dbraw/zinc/41/47/37/573414737.db2.gz UGDCKWVZGVAKQO-UHFFFAOYSA-N 0 0 167.212 1.057 10 0 ADAERN CCn1cc(C(=O)C2CCC2)cn1 83120260 573414746 /nfs/dbraw/zinc/41/47/46/573414746.db2.gz HZFWFQKKPLNSFJ-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN O[C@H](C1CCC1)C1CCOCC1 83120627 573414760 /nfs/dbraw/zinc/41/47/60/573414760.db2.gz DQWRONAKGYZTLK-SNVBAGLBSA-N 0 0 170.252 1.574 10 0 ADAERN CCn1ccnc1[C@@H](O)C1CCC1 83120688 573414772 /nfs/dbraw/zinc/41/47/72/573414772.db2.gz IOEDFXYHNTWXPA-VIFPVBQESA-N 0 0 180.251 1.737 10 0 ADAERN CC(=O)CNC(=O)c1cccc(F)c1 83119878 573414785 /nfs/dbraw/zinc/41/47/85/573414785.db2.gz SENIDMNQOFVEKT-UHFFFAOYSA-N 0 0 195.193 1.145 10 0 ADAERN Cn1nccc1[C@@H](O)C1CCC1 83120586 573414790 /nfs/dbraw/zinc/41/47/90/573414790.db2.gz RLBALAUDNRFCIP-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN Cc1noc([C@H]2CCCOC2)c1N 257810725 573414801 /nfs/dbraw/zinc/41/48/01/573414801.db2.gz AQQTTZASVGYZKE-ZETCQYMHSA-N 0 0 182.223 1.459 10 0 ADAERN Cc1nc(CO)c(C(F)(F)F)o1 118599708 573414803 /nfs/dbraw/zinc/41/48/03/573414803.db2.gz DGWRCLNOFLEWCJ-UHFFFAOYSA-N 0 0 181.113 1.494 10 0 ADAERN Cn1ccnc1[C@H](O)C1CCC1 83120523 573414804 /nfs/dbraw/zinc/41/48/04/573414804.db2.gz SEJBAGSTTDRCDV-MRVPVSSYSA-N 0 0 166.224 1.254 10 0 ADAERN Cc1ccnc(N)c1[C@@H](O)C1CCC1 83120647 573414808 /nfs/dbraw/zinc/41/48/08/573414808.db2.gz VHUZRGXSQDCKPU-JTQLQIEISA-N 0 0 192.262 1.806 10 0 ADAERN O[C@@H](c1cncnc1)C1CCC1 83120758 573414848 /nfs/dbraw/zinc/41/48/48/573414848.db2.gz DJBOVCLBBHURCE-SECBINFHSA-N 0 0 164.208 1.310 10 0 ADAERN CC(C)C[C@]([NH3+])(C(=O)[O-])[C@H](C)F 257811179 573414868 /nfs/dbraw/zinc/41/48/68/573414868.db2.gz AYJGTJWAIYGIAP-POYBYMJQSA-N 0 0 177.219 1.173 10 0 ADAERN CS[C@@H](C)CCCO 238383542 573414877 /nfs/dbraw/zinc/41/48/77/573414877.db2.gz IILMSVPETAULOQ-LURJTMIESA-N 0 0 134.244 1.510 10 0 ADAERN C[C@H](O)[C@@H]1CCc2ccccc2N1 83119785 573414879 /nfs/dbraw/zinc/41/48/79/573414879.db2.gz WHSHOTYFHVHDCP-WPRPVWTQSA-N 0 0 177.247 1.794 10 0 ADAERN CO[C@@]12C=CNC(=O)[C@@H]1CC2(C)C 238383862 573414880 /nfs/dbraw/zinc/41/48/80/573414880.db2.gz GEZSVYMCYOCQDP-XVKPBYJWSA-N 0 0 181.235 1.061 10 0 ADAERN CC(C)N1CCCC(=O)[C@H]1C 107220293 573414910 /nfs/dbraw/zinc/41/49/10/573414910.db2.gz VHVRTPQFUXSRGV-MRVPVSSYSA-N 0 0 155.241 1.448 10 0 ADAERN CO[C@@]12CCCCC[C@@H](C1)C(=O)N2 238384803 573414914 /nfs/dbraw/zinc/41/49/14/573414914.db2.gz LCUREEGTEWUSDZ-WPRPVWTQSA-N 0 0 183.251 1.429 10 0 ADAERN COc1ccc2[nH+]cc(N)n2c1Cl 238383355 573414922 /nfs/dbraw/zinc/41/49/22/573414922.db2.gz OPONFFXLHLDPDD-UHFFFAOYSA-N 0 0 197.625 1.579 10 0 ADAERN COC(=O)CC[C@@H]1CCC[C@@H]1O 257810691 573414933 /nfs/dbraw/zinc/41/49/33/573414933.db2.gz APFYAIDMNIKBRI-YUMQZZPRSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@H](O)CCCOc1ccccc1N 308580253 573414947 /nfs/dbraw/zinc/41/49/47/573414947.db2.gz OSMAHSHNZFCWSZ-VIFPVBQESA-N 0 0 195.262 1.809 10 0 ADAERN CO[C@H](c1ccc(C)cc1)[C@H](O)CO 308580565 573414956 /nfs/dbraw/zinc/41/49/56/573414956.db2.gz JQHPWCVXZNUATP-GHMZBOCLSA-N 0 0 196.246 1.036 10 0 ADAERN CNC(C)(C)c1nc(C2CCC2)no1 83120071 573414963 /nfs/dbraw/zinc/41/49/63/573414963.db2.gz HJTWMFNLVJLKLR-UHFFFAOYSA-N 0 0 195.266 1.792 10 0 ADAERN COCc1cc(=O)[nH]c(C2CCC2)n1 83120188 573414977 /nfs/dbraw/zinc/41/49/77/573414977.db2.gz WDULBXVERYWQPT-UHFFFAOYSA-N 0 0 194.234 1.184 10 0 ADAERN COC1CCC([C@@H]2CCOC2=O)CC1 118591898 573414979 /nfs/dbraw/zinc/41/49/79/573414979.db2.gz CQJTVULHCCIASV-RTBKNWGFSA-N 0 0 198.262 1.755 10 0 ADAERN COc1ccc2[nH+]cc(N)n2c1F 238383375 573414996 /nfs/dbraw/zinc/41/49/96/573414996.db2.gz XFPXIEZTWZBWNS-UHFFFAOYSA-N 0 0 181.170 1.064 10 0 ADAERN O=CC(=O)c1cc(F)cc(Cl)c1 118634453 573415003 /nfs/dbraw/zinc/41/50/03/573415003.db2.gz YQZLXQNKJMHKQQ-UHFFFAOYSA-N 0 0 186.569 1.861 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)c1cc(C)ns1 689952470 573415008 /nfs/dbraw/zinc/41/50/08/573415008.db2.gz DMTRLGICYQHNCB-OOZYFLPDSA-N 0 0 199.275 1.520 10 0 ADAERN CC[C@@H](O)C(=O)NCC1(CC)CC1 308386936 573416167 /nfs/dbraw/zinc/41/61/67/573416167.db2.gz XMTGBNJVECZYBN-MRVPVSSYSA-N 0 0 185.267 1.064 10 0 ADAERN C=COC[C@H](C)C(C)=O 238384318 573416207 /nfs/dbraw/zinc/41/62/07/573416207.db2.gz LQVWGGPUTJMTJF-LURJTMIESA-N 0 0 128.171 1.372 10 0 ADAERN CC[C@@H](CO)[C@H](O)C(C)C 118590254 573416220 /nfs/dbraw/zinc/41/62/20/573416220.db2.gz IZUABMDVMAFWOP-JGVFFNPUSA-N 0 0 146.230 1.022 10 0 ADAERN C[C@@]1(CO)Cc2cc(F)ccc2N1 258337158 573416241 /nfs/dbraw/zinc/41/62/41/573416241.db2.gz XNZTYYFFGZDRCQ-JTQLQIEISA-N 0 0 181.210 1.545 10 0 ADAERN Nc1noc2ncc(Cl)cc12 211747328 573416255 /nfs/dbraw/zinc/41/62/55/573416255.db2.gz GYVPSYJDRWKPPV-UHFFFAOYSA-N 0 0 169.571 1.458 10 0 ADAERN COc1cc(CN(C)O)cc(O)c1C 214881398 573416264 /nfs/dbraw/zinc/41/62/64/573416264.db2.gz GQXFANVICAPWGC-UHFFFAOYSA-N 0 0 197.234 1.530 10 0 ADAERN CC(=O)CCN1C[C@H](C(C)C)NC1=O 259443639 573416287 /nfs/dbraw/zinc/41/62/87/573416287.db2.gz MLHROGADMFHJGZ-SECBINFHSA-N 0 0 198.266 1.015 10 0 ADAERN CCC[C@@H](C)[C@@H](NN)c1ccnn1C 133568568 573416303 /nfs/dbraw/zinc/41/63/03/573416303.db2.gz OVMAIENHBLNQHD-PSASIEDQSA-N 0 0 196.298 1.361 10 0 ADAERN Cc1cc([C@@H](C)O)sn1 238384222 573416307 /nfs/dbraw/zinc/41/63/07/573416307.db2.gz YWGVPAHWNLKCQO-RXMQYKEDSA-N 0 0 143.211 1.505 10 0 ADAERN CC(=O)c1cn(COC(C)C)c(C)n1 308579333 573416311 /nfs/dbraw/zinc/41/63/11/573416311.db2.gz FWBLHBRSTNJFAZ-UHFFFAOYSA-N 0 0 196.250 1.777 10 0 ADAERN CCOC[C@H](C)Nc1nccnc1C 214367030 573416356 /nfs/dbraw/zinc/41/63/56/573416356.db2.gz BUQOGOYIZPBQNE-QMMMGPOBSA-N 0 0 195.266 1.622 10 0 ADAERN COc1cc(N)[nH]c(=O)c1C(F)F 238384140 573416367 /nfs/dbraw/zinc/41/63/67/573416367.db2.gz GTLDSUHFJGBWQS-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CN[C@@H](C)c1nc(C2CCC2)no1 83126274 573416371 /nfs/dbraw/zinc/41/63/71/573416371.db2.gz LJMIKSWVAAYDEX-LURJTMIESA-N 0 0 181.239 1.618 10 0 ADAERN Cc1ccc([S@](C)=O)c([C@@H](C)O)c1 238384125 573416385 /nfs/dbraw/zinc/41/63/85/573416385.db2.gz HYMCMSHGYPCJQH-OQPBUACISA-N 0 0 198.287 1.786 10 0 ADAERN O=C1OC=C[C@H]1c1ccccc1 118592232 573416399 /nfs/dbraw/zinc/41/63/99/573416399.db2.gz DOVPXYFBYMYZRL-VIFPVBQESA-N 0 0 160.172 1.841 10 0 ADAERN Cc1nc(C2CCC2)[nH+]c(NN)c1C 83136306 573418620 /nfs/dbraw/zinc/41/86/20/573418620.db2.gz YBXXMLGDSPUBEL-UHFFFAOYSA-N 0 0 192.266 1.647 10 0 ADAERN CCCCC(=O)OC1CCOCC1 308387768 573418624 /nfs/dbraw/zinc/41/86/24/573418624.db2.gz XZHNBETYSWPQSQ-UHFFFAOYSA-N 0 0 186.251 1.899 10 0 ADAERN CC(C)(C)C(=O)N1CCC[C@@H]1CCO 308579628 573418653 /nfs/dbraw/zinc/41/86/53/573418653.db2.gz JEJFUZMJEAHNNE-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN O=c1nc(-c2ccsc2)cc[nH]1 118705185 573418663 /nfs/dbraw/zinc/41/86/63/573418663.db2.gz HHIGXLUQAAVVGO-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN Cc1nc2c(CCON)cccc2[nH]1 258019082 573418679 /nfs/dbraw/zinc/41/86/79/573418679.db2.gz HZKZGUYRLJWVPK-UHFFFAOYSA-N 0 0 191.234 1.304 10 0 ADAERN C1CC(c2noc(NC3CC3)n2)C1 83136403 573418694 /nfs/dbraw/zinc/41/86/94/573418694.db2.gz WXWRHGHKSHMOSK-UHFFFAOYSA-N 0 0 179.223 1.911 10 0 ADAERN COC(=O)c1ccc(C)c2ccnn12 238384777 573418725 /nfs/dbraw/zinc/41/87/25/573418725.db2.gz IOFYVUKSDPUTQY-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN COc1cc(C)nc(C(F)F)c1N 238383863 573418747 /nfs/dbraw/zinc/41/87/47/573418747.db2.gz VNIRPTNCBMKZFD-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN Nc1nc([C@@H]2Cc3ccccc32)no1 83136383 573418750 /nfs/dbraw/zinc/41/87/50/573418750.db2.gz BQFVIHNQGVZTDQ-MRVPVSSYSA-N 0 0 187.202 1.340 10 0 ADAERN C[C@@H](CO)c1ccc2ocnc2c1 238382884 573418791 /nfs/dbraw/zinc/41/87/91/573418791.db2.gz ZGSCBKXIDGCCCW-ZETCQYMHSA-N 0 0 177.203 1.924 10 0 ADAERN C[C@@H]([NH3+])c1[nH]c2ccccc2c1N 238383265 573418797 /nfs/dbraw/zinc/41/87/97/573418797.db2.gz KGSOYPPJYKPDRL-ZCFIWIBFSA-N 0 0 175.235 1.770 10 0 ADAERN c1coc(-n2nnc3cccnc32)c1 258337900 573418819 /nfs/dbraw/zinc/41/88/19/573418819.db2.gz KVNIVFSBHRDUNQ-UHFFFAOYSA-N 0 0 186.174 1.409 10 0 ADAERN C[C@@H](C(=O)N(C)C(C)(C)CO)C1CC1 133634787 573418828 /nfs/dbraw/zinc/41/88/28/573418828.db2.gz KSQVBIHBULLAQH-MRVPVSSYSA-N 0 0 199.294 1.262 10 0 ADAERN COc1ccnc(C=O)c1C(F)F 238383609 573418838 /nfs/dbraw/zinc/41/88/38/573418838.db2.gz VMBWCKAFDOUFLA-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN COc1cc(N)nc(C(F)F)c1N 238383579 573418882 /nfs/dbraw/zinc/41/88/82/573418882.db2.gz LPGIATGMVHCZKK-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN NN[C@H](CC1CC1)c1cscn1 129925943 573418890 /nfs/dbraw/zinc/41/88/90/573418890.db2.gz UITNAKLADGCSHM-SSDOTTSWSA-N 0 0 183.280 1.448 10 0 ADAERN Nc1ncn(-c2ccc(Cl)cc2)n1 118720027 573418915 /nfs/dbraw/zinc/41/89/15/573418915.db2.gz ZQNILSIUCMKROX-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN COc1ccc2nccc(CO)c2n1 238383706 573418934 /nfs/dbraw/zinc/41/89/34/573418934.db2.gz XBTMYBSYTIFSCB-UHFFFAOYSA-N 0 0 190.202 1.131 10 0 ADAERN Cc1cc(C=O)nc(C2CCC2)n1 83136446 573418964 /nfs/dbraw/zinc/41/89/64/573418964.db2.gz UVKNTTCKJNBMPS-UHFFFAOYSA-N 0 0 176.219 1.865 10 0 ADAERN CCC(CC)[C@H](O)[C@H]1C[C@@H]1OC 689953021 573418990 /nfs/dbraw/zinc/41/89/90/573418990.db2.gz ILKKENDFEUYNQB-GUBZILKMSA-N 0 0 172.268 1.818 10 0 ADAERN COCCc1[nH+]cc2cc(C)ccn12 258337755 573419027 /nfs/dbraw/zinc/41/90/27/573419027.db2.gz QPZLSFZEJZNYHK-UHFFFAOYSA-N 0 0 190.246 1.832 10 0 ADAERN O[C@H](Cc1ccco1)[C@@H]1CCCCO1 124315610 573419083 /nfs/dbraw/zinc/41/90/83/573419083.db2.gz IRFOXVQMKDSPBZ-MNOVXSKESA-N 0 0 196.246 1.752 10 0 ADAERN Cc1cc(NN)[nH+]c(C2CCC2)n1 83136266 573419087 /nfs/dbraw/zinc/41/90/87/573419087.db2.gz BRCWKPYSFUCSLG-UHFFFAOYSA-N 0 0 178.239 1.338 10 0 ADAERN COC(=O)c1cc(F)c2cnoc2c1 238383991 573419106 /nfs/dbraw/zinc/41/91/06/573419106.db2.gz SGPSLRGYTMUGLR-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN NOCCc1cc(Cl)ccc1O 258024694 573420299 /nfs/dbraw/zinc/42/02/99/573420299.db2.gz IMSANHNKWHZOQZ-UHFFFAOYSA-N 0 0 187.626 1.478 10 0 ADAERN CN(C)c1ccc(C(=O)CN)cc1F 258024743 573420313 /nfs/dbraw/zinc/42/03/13/573420313.db2.gz INZHCPLFLMUMQI-UHFFFAOYSA-N 0 0 196.225 1.033 10 0 ADAERN COc1cc[nH]c(=O)c1C(F)F 238385452 573420317 /nfs/dbraw/zinc/42/03/17/573420317.db2.gz DLJXUFPRTFUKOT-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN CCCc1nc(N)nc(C2CCC2)n1 83137432 573423107 /nfs/dbraw/zinc/42/31/07/573423107.db2.gz ZSQOEKKUPHQSNX-UHFFFAOYSA-N 0 0 192.266 1.674 10 0 ADAERN Cc1c(O)ccc(C(=O)CN)c1C 258026518 573423113 /nfs/dbraw/zinc/42/31/13/573423113.db2.gz ONUBBHVZQZOHSE-UHFFFAOYSA-N 0 0 179.219 1.150 10 0 ADAERN CSc1ncc2c(n1)NCCC2=O 238391374 573423115 /nfs/dbraw/zinc/42/31/15/573423115.db2.gz RBRIVMLOAJMHCK-UHFFFAOYSA-N 0 0 195.247 1.197 10 0 ADAERN COc1c[nH]nc1Br 258647437 573423118 /nfs/dbraw/zinc/42/31/18/573423118.db2.gz SDXULVCRVFAIJA-UHFFFAOYSA-N 0 0 177.001 1.181 10 0 ADAERN C[C@@H]1C(=O)CC[C@]12CCCCO2 238390150 573423119 /nfs/dbraw/zinc/42/31/19/573423119.db2.gz IPYZQAWHRVKTRT-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN CCNC(=O)N[C@@H](C)C(C)(C)C 118727834 573423121 /nfs/dbraw/zinc/42/31/21/573423121.db2.gz RCULZOZXUDZEAF-ZETCQYMHSA-N 0 0 172.272 1.740 10 0 ADAERN O=C([O-])[C@H](C[NH+]1CCCCC1)C1CC1 258025853 573423139 /nfs/dbraw/zinc/42/31/39/573423139.db2.gz ANFXNRJLNGJKKC-SNVBAGLBSA-N 0 0 197.278 1.583 10 0 ADAERN CCC[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 133675791 573423146 /nfs/dbraw/zinc/42/31/46/573423146.db2.gz BNRGFQMYEJYXQT-QMMMGPOBSA-N 0 0 196.298 1.639 10 0 ADAERN CCC1=C(CO)C1 118693072 573423148 /nfs/dbraw/zinc/42/31/48/573423148.db2.gz YJTTXHCWAGJYPT-UHFFFAOYSA-N 0 0 98.145 1.089 10 0 ADAERN Cc1nc(CC(=O)OC2CC2)cs1 308381753 573423151 /nfs/dbraw/zinc/42/31/51/573423151.db2.gz QTHPBGRVLLTLIL-UHFFFAOYSA-N 0 0 197.259 1.700 10 0 ADAERN C[C@@H]1C(=O)COC12CCCC2 238390371 573423178 /nfs/dbraw/zinc/42/31/78/573423178.db2.gz VUQUNNZQXOMAEZ-SSDOTTSWSA-N 0 0 154.209 1.535 10 0 ADAERN CN(C(=O)c1ccco1)C(C)(C)CO 133621375 573423185 /nfs/dbraw/zinc/42/31/85/573423185.db2.gz KPIQMAMWHNAMEC-UHFFFAOYSA-N 0 0 197.234 1.123 10 0 ADAERN Cc1cscc1C[NH2+]CC[C@H](C)O 133687842 573423214 /nfs/dbraw/zinc/42/32/14/573423214.db2.gz CMNNGQWXISQHNQ-VIFPVBQESA-N 0 0 199.319 1.917 10 0 ADAERN O=CNc1ccc2c[nH]nc2c1 83141956 573423220 /nfs/dbraw/zinc/42/32/20/573423220.db2.gz GZLFEEBQSFMGLH-UHFFFAOYSA-N 0 0 161.164 1.131 10 0 ADAERN C[C@@H](NC=O)c1ccc(F)cc1 83145034 573423228 /nfs/dbraw/zinc/42/32/28/573423228.db2.gz GEWCLFUMZDNPHX-SSDOTTSWSA-N 0 0 167.183 1.633 10 0 ADAERN COC(=O)c1[nH]c(=O)[nH]c1C(C)(C)C 258025247 573423256 /nfs/dbraw/zinc/42/32/56/573423256.db2.gz CGBFBAIEYBPCCJ-UHFFFAOYSA-N 0 0 198.222 1.199 10 0 ADAERN CC[N@@H+]1CC[C@@H](CC(=O)[O-])[C@H]1C(C)C 308380979 573423257 /nfs/dbraw/zinc/42/32/57/573423257.db2.gz WRCXXCDACAPIMP-GXSJLCMTSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1ccc([C@H]2C[C@H](C(=O)[O-])[NH2+]2)cc1 257810831 573423268 /nfs/dbraw/zinc/42/32/68/573423268.db2.gz ASTBQIWKVOJCEV-NXEZZACHSA-N 0 0 191.230 1.483 10 0 ADAERN Cc1ccc(C)n1NCC[C@H](C)O 133669235 573423292 /nfs/dbraw/zinc/42/32/92/573423292.db2.gz UCKMIZWCWBXDOQ-JTQLQIEISA-N 0 0 182.267 1.419 10 0 ADAERN Cn1ccc(C[C@@H]2CCC[C@@H]2O)n1 124331992 573423311 /nfs/dbraw/zinc/42/33/11/573423311.db2.gz WNUDNHXCGOZHBQ-WPRPVWTQSA-N 0 0 180.251 1.124 10 0 ADAERN COc1cc2c(ccc1=O)CCC2 238391528 573423326 /nfs/dbraw/zinc/42/33/26/573423326.db2.gz MDIYKSZIJYEORG-UHFFFAOYSA-N 0 0 176.215 1.544 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@H]([NH2+]C1CCC1)C(=O)[O-] 714690057 573423352 /nfs/dbraw/zinc/42/33/52/573423352.db2.gz MJSFVADQAAEYDG-ZOFUNIGCSA-N 0 0 197.278 1.628 10 0 ADAERN COc1nc(N)cc(C(F)F)c1C 238391379 573423356 /nfs/dbraw/zinc/42/33/56/573423356.db2.gz XOXQJYRCOCEZFH-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN C[C@H](O)Cc1nc(C2CCC2)no1 83137050 573423362 /nfs/dbraw/zinc/42/33/62/573423362.db2.gz LDYWETZSKFOPDU-LURJTMIESA-N 0 0 182.223 1.260 10 0 ADAERN ONCc1ccc([C@@H]2COCO2)cc1 258024754 573423363 /nfs/dbraw/zinc/42/33/63/573423363.db2.gz IOCWCICHLSZAGE-JTQLQIEISA-N 0 0 195.218 1.211 10 0 ADAERN C[C@@H]1C(=O)CCc2ncccc21 238390301 573423369 /nfs/dbraw/zinc/42/33/69/573423369.db2.gz DTZCPUCYROBDLT-ZETCQYMHSA-N 0 0 161.204 1.700 10 0 ADAERN C[C@@H](O)[C@@H]1CN(C)c2cccc(O)c21 258024695 573423372 /nfs/dbraw/zinc/42/33/72/573423372.db2.gz JTDLKHPOPBAAGV-SFYZADRCSA-N 0 0 193.246 1.306 10 0 ADAERN Clc1n[nH]c(C2CCC2)n1 83137476 573423386 /nfs/dbraw/zinc/42/33/86/573423386.db2.gz ZOCYVVUIVPEDQX-UHFFFAOYSA-N 0 0 157.604 1.726 10 0 ADAERN Cn1ccc(C[C@@H]2CCC[C@H]2O)n1 124332397 573423408 /nfs/dbraw/zinc/42/34/08/573423408.db2.gz WNUDNHXCGOZHBQ-WCBMZHEXSA-N 0 0 180.251 1.124 10 0 ADAERN Fc1ccc(NCc2cnco2)cn1 236219919 573423425 /nfs/dbraw/zinc/42/34/25/573423425.db2.gz HANHEWGRASJQJS-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN COc1nc(N)cc(C(F)F)n1 257810917 573423427 /nfs/dbraw/zinc/42/34/27/573423427.db2.gz ARXACNNCYZNIAN-UHFFFAOYSA-N 0 0 175.138 1.005 10 0 ADAERN C[C@@]1(c2nccs2)CC(=O)NC1=O 83142700 573423428 /nfs/dbraw/zinc/42/34/28/573423428.db2.gz HHESOUUYJKOFHF-MRVPVSSYSA-N 0 0 196.231 1.288 10 0 ADAERN COC(=O)[C@](C)(F)c1cccc(O)c1 257810821 573423431 /nfs/dbraw/zinc/42/34/31/573423431.db2.gz ASEAROPZXKZBNQ-SNVBAGLBSA-N 0 0 198.193 1.750 10 0 ADAERN Cn1ccc(C[C@@H]2CCCC[C@H]2O)n1 124336986 573423435 /nfs/dbraw/zinc/42/34/35/573423435.db2.gz QTUNDPKUHYAQIH-GXSJLCMTSA-N 0 0 194.278 1.514 10 0 ADAERN C[C@H](NC=O)c1ccc(F)cc1 83145033 573423439 /nfs/dbraw/zinc/42/34/39/573423439.db2.gz GEWCLFUMZDNPHX-ZETCQYMHSA-N 0 0 167.183 1.633 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H](O)CCC 78070757 573423462 /nfs/dbraw/zinc/42/34/62/573423462.db2.gz SOZMVEZTNOBVOT-AEJSXWLSSA-N 0 0 174.284 1.945 10 0 ADAERN CCN(CCc1ccncc1)C(C)=O 74923903 573423475 /nfs/dbraw/zinc/42/34/75/573423475.db2.gz BSJKBTUWMCSBSN-UHFFFAOYSA-N 0 0 192.262 1.493 10 0 ADAERN CNc1ccc(-c2nccs2)nn1 83142881 573423477 /nfs/dbraw/zinc/42/34/77/573423477.db2.gz HYRTWVUBDMLZII-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CC[C@]1(CO)Cc2cc(O)ccc2N1 258025622 573423479 /nfs/dbraw/zinc/42/34/79/573423479.db2.gz DJCBAOWTRXGCFP-LLVKDONJSA-N 0 0 193.246 1.501 10 0 ADAERN COCCc1cn2ccc(=O)cc2[nH]1 258025516 573423493 /nfs/dbraw/zinc/42/34/93/573423493.db2.gz RFDVRMUMUWODLH-UHFFFAOYSA-N 0 0 192.218 1.229 10 0 ADAERN COC1=N[C@H](C)[C@@H](c2ccccc2)N1 238390582 573423513 /nfs/dbraw/zinc/42/35/13/573423513.db2.gz ALBFYQHLMQRBIG-SCZZXKLOSA-N 0 0 190.246 1.722 10 0 ADAERN COc1nc(N)c(N)cc1C(F)F 238391100 573423534 /nfs/dbraw/zinc/42/35/34/573423534.db2.gz UXZYCLQAYDYQBF-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN Cn1cccc1/C=C/CO 83137784 573423538 /nfs/dbraw/zinc/42/35/38/573423538.db2.gz AFSMIOYOCZXJOD-HWKANZROSA-N 0 0 137.182 1.031 10 0 ADAERN CCC(=O)Nc1cccc(NC=O)c1 83145052 573423585 /nfs/dbraw/zinc/42/35/85/573423585.db2.gz ORTJJQXMURGCQN-UHFFFAOYSA-N 0 0 192.218 1.603 10 0 ADAERN Nc1[nH]ccc1-c1ccccc1O 258026176 573423587 /nfs/dbraw/zinc/42/35/87/573423587.db2.gz CLLUTDZLKPDBCG-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN C[C@@]1(c2nccs2)CC(=O)CCO1 83144321 573423591 /nfs/dbraw/zinc/42/35/91/573423591.db2.gz QREFPQTZVJJYBZ-VIFPVBQESA-N 0 0 197.259 1.738 10 0 ADAERN Oc1ccccc1C[C@@H]1CCOC1 257810927 573423592 /nfs/dbraw/zinc/42/35/92/573423592.db2.gz ASEQRIZGABDEJH-VIFPVBQESA-N 0 0 178.231 1.971 10 0 ADAERN COC1=NCc2cccnc2C=C1 238390200 573423595 /nfs/dbraw/zinc/42/35/95/573423595.db2.gz PUGIIELJPLEGOU-UHFFFAOYSA-N 0 0 174.203 1.653 10 0 ADAERN CONCCO[C@H]1CCCC[C@H]1C 308381233 573423606 /nfs/dbraw/zinc/42/36/06/573423606.db2.gz UUDGJLPTNSVEMT-ZJUUUORDSA-N 0 0 187.283 1.733 10 0 ADAERN COCc1ccc(OC)c(OC)c1N 214882962 573423611 /nfs/dbraw/zinc/42/36/11/573423611.db2.gz ZYCQUCFAOQQRDM-UHFFFAOYSA-N 0 0 197.234 1.432 10 0 ADAERN COc1c(F)cc(CON)cc1F 258024806 573423625 /nfs/dbraw/zinc/42/36/25/573423625.db2.gz IPKLRXMHQANSSJ-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN C[C@@H]1C(=O)C[C@@H](CCO)C1(C)C 238390663 573423638 /nfs/dbraw/zinc/42/36/38/573423638.db2.gz QEHPLDCDBURQJK-HTQZYQBOSA-N 0 0 170.252 1.620 10 0 ADAERN COC(=O)Cc1coc(N)c1C(C)C 259611350 573423645 /nfs/dbraw/zinc/42/36/45/573423645.db2.gz HGTIWXFGJXOSGV-UHFFFAOYSA-N 0 0 197.234 1.701 10 0 ADAERN OCc1ccc2c(c1O)CCC2 258026662 573423648 /nfs/dbraw/zinc/42/36/48/573423648.db2.gz OPHZHTCVZXZUDI-UHFFFAOYSA-N 0 0 164.204 1.373 10 0 ADAERN CS[C@@]1(C)C[C@@H](C)OC(=O)N1 238391179 573423653 /nfs/dbraw/zinc/42/36/53/573423653.db2.gz YGNQSUASEVMBMS-VDTYLAMSSA-N 0 0 175.253 1.584 10 0 ADAERN CN(C=O)CCc1cccs1 86442486 573423656 /nfs/dbraw/zinc/42/36/56/573423656.db2.gz MFMXXRJNSLAILD-UHFFFAOYSA-N 0 0 169.249 1.379 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cc(=O)o[n-]1 107220348 573423658 /nfs/dbraw/zinc/42/36/58/573423658.db2.gz OYZWEPVWJIZHJA-SSDOTTSWSA-N 0 0 156.185 1.036 10 0 ADAERN CCOc1ccc(NC=O)c(C)c1 83145570 573429709 /nfs/dbraw/zinc/42/97/09/573429709.db2.gz IOAWWHUHEYVWAT-UHFFFAOYSA-N 0 0 179.219 1.962 10 0 ADAERN CC(C)(O)Cc1ccccc1CNO 259447960 573429723 /nfs/dbraw/zinc/42/97/23/573429723.db2.gz MGQHJKMIHXHPQN-UHFFFAOYSA-N 0 0 195.262 1.479 10 0 ADAERN COc1ccc([S-])c(C[NH3+])c1 238393363 573429731 /nfs/dbraw/zinc/42/97/31/573429731.db2.gz OFYPNYDXYNHISS-UHFFFAOYSA-N 0 0 169.249 1.443 10 0 ADAERN O=CN1CCC[C@H]1c1ccc[nH]1 83145525 573429736 /nfs/dbraw/zinc/42/97/36/573429736.db2.gz PNXOTOVLSAAYRT-VIFPVBQESA-N 0 0 164.208 1.308 10 0 ADAERN O=C1C=C2CCCCC(=O)N2C1 258026796 573429743 /nfs/dbraw/zinc/42/97/43/573429743.db2.gz OSRRDDVJFZENKN-UHFFFAOYSA-N 0 0 165.192 1.560 10 0 ADAERN O=CNC[C@H]1Cc2ccccc21 83145850 573429755 /nfs/dbraw/zinc/42/97/55/573429755.db2.gz IROXJPHSLQLCOV-SECBINFHSA-N 0 0 161.204 1.072 10 0 ADAERN COc1nc(N)cc(F)c1C(F)F 238391896 573429765 /nfs/dbraw/zinc/42/97/65/573429765.db2.gz OADXZAGJPNELTH-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN Cc1ccc(CNC=O)s1 83145882 573429770 /nfs/dbraw/zinc/42/97/70/573429770.db2.gz UALRHKSYXILLMM-UHFFFAOYSA-N 0 0 155.222 1.303 10 0 ADAERN C=Cn1ccc([C@@H](C)O)c1 238392163 573429772 /nfs/dbraw/zinc/42/97/72/573429772.db2.gz HQAJVAKQMNTFSC-SSDOTTSWSA-N 0 0 137.182 1.642 10 0 ADAERN N#Cc1ccc(C=O)c2c1OCCO2 258030158 573429781 /nfs/dbraw/zinc/42/97/81/573429781.db2.gz IVNGWWRHFYJWCG-UHFFFAOYSA-N 0 0 189.170 1.142 10 0 ADAERN Oc1ccccc1[C@@]1(O)CCCOC1 257812908 573436190 /nfs/dbraw/zinc/43/61/90/573436190.db2.gz BXVAWTVVIMTXTA-LLVKDONJSA-N 0 0 194.230 1.390 10 0 ADAERN CC(C)(C)[C@H]1CC(C=O)=NO1 258652181 573436201 /nfs/dbraw/zinc/43/62/01/573436201.db2.gz ZNZUQFQRMDASJS-SSDOTTSWSA-N 0 0 155.197 1.376 10 0 ADAERN CC[NH2+]C[C@]1(F)CC[C@H](C(=O)[O-])C1 257812630 573436210 /nfs/dbraw/zinc/43/62/10/573436210.db2.gz BWIVUGNNKCOIFP-CBAPKCEASA-N 0 0 189.230 1.189 10 0 ADAERN O=C1CC[C@@H](C2(CO)CCCC2)CN1 215211088 573436227 /nfs/dbraw/zinc/43/62/27/573436227.db2.gz XHSAIJSCGWLEBO-SECBINFHSA-N 0 0 197.278 1.065 10 0 ADAERN Cn1nc(C[NH3+])cc1C1CCC1 258652235 573436231 /nfs/dbraw/zinc/43/62/31/573436231.db2.gz ZOTBUIHDQPIBDG-UHFFFAOYSA-N 0 0 165.240 1.146 10 0 ADAERN CCCNC(=O)NCCc1cc[nH]c1 74982475 573436232 /nfs/dbraw/zinc/43/62/32/573436232.db2.gz YNJNZMFKCFUUSP-UHFFFAOYSA-N 0 0 195.266 1.266 10 0 ADAERN CC(C)C[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1C 257812913 573436253 /nfs/dbraw/zinc/43/62/53/573436253.db2.gz AQJZVZVOZRDPMG-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN Nc1nnnn1C1CCCCCCC1 86456660 573436264 /nfs/dbraw/zinc/43/62/64/573436264.db2.gz MUIZXIMYFABNCW-UHFFFAOYSA-N 0 0 195.270 1.541 10 0 ADAERN C[NH2+]Cc1nccc(NC2CCC2)n1 258651943 573436265 /nfs/dbraw/zinc/43/62/65/573436265.db2.gz GPRMSHQRGOMAPX-UHFFFAOYSA-N 0 0 192.266 1.160 10 0 ADAERN CCn1ncnc1[C@@](C)(O)CC(C)C 308582302 573436276 /nfs/dbraw/zinc/43/62/76/573436276.db2.gz KJOTUVGPGCVVDN-JTQLQIEISA-N 0 0 197.282 1.552 10 0 ADAERN CCCCN1C(=O)[C@@](C)(CC)N[C@@H]1C 138113874 573436286 /nfs/dbraw/zinc/43/62/86/573436286.db2.gz XOVCPYIONAMGOP-GXSJLCMTSA-N 0 0 198.310 1.733 10 0 ADAERN COc1cc(O)c(F)c(CC(C)=O)c1 258021555 573436313 /nfs/dbraw/zinc/43/63/13/573436313.db2.gz IEQZKWABAILEAY-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN COc1cc(O)c([C@H](C)O)c(F)c1 258021819 573436323 /nfs/dbraw/zinc/43/63/23/573436323.db2.gz IKHBVKCHZFXQIZ-YFKPBYRVSA-N 0 0 186.182 1.593 10 0 ADAERN C[C@H]1CCCC[C@@H]1n1nnnc1N 86456686 573436339 /nfs/dbraw/zinc/43/63/39/573436339.db2.gz NTHQAVAHDGTNCB-BQBZGAKWSA-N 0 0 181.243 1.007 10 0 ADAERN CCC[C@H]([C@@H]1C[C@@H]1C(=O)[O-])[NH+](C)C 259448218 573436342 /nfs/dbraw/zinc/43/63/42/573436342.db2.gz JCLIKPUSGZHJBQ-HRDYMLBCSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@H]1CCSC1 257812743 573436345 /nfs/dbraw/zinc/43/63/45/573436345.db2.gz BUMPQTLYZIOWMY-RNJXMRFFSA-N 0 0 178.272 1.849 10 0 ADAERN CCOC(CC(C)(C)O)OCC 257812688 573436350 /nfs/dbraw/zinc/43/63/50/573436350.db2.gz BSGJRBPKQIOYAI-UHFFFAOYSA-N 0 0 176.256 1.547 10 0 ADAERN O=C1CC[C@H](C2(CO)CCCC2)CN1 215211134 573436356 /nfs/dbraw/zinc/43/63/56/573436356.db2.gz XHSAIJSCGWLEBO-VIFPVBQESA-N 0 0 197.278 1.065 10 0 ADAERN COC(=O)c1cccc(N(C)C)c1C 118873017 573436371 /nfs/dbraw/zinc/43/63/71/573436371.db2.gz IFGMCWPFZBNRFL-UHFFFAOYSA-N 0 0 193.246 1.848 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1C[NH2+]C1CCCC1 258655712 573436376 /nfs/dbraw/zinc/43/63/76/573436376.db2.gz NBIVGJRMMRQNAC-APPZFPTMSA-N 0 0 183.251 1.239 10 0 ADAERN O=C1NCCC[C@@H]1C1(CO)CCCC1 215211364 573436382 /nfs/dbraw/zinc/43/63/82/573436382.db2.gz JUTLOPZMMGOFQB-VIFPVBQESA-N 0 0 197.278 1.065 10 0 ADAERN CCCNC(=O)NCc1cc[nH]c1 74978956 573436414 /nfs/dbraw/zinc/43/64/14/573436414.db2.gz UVTTZNSOXDBGHT-UHFFFAOYSA-N 0 0 181.239 1.224 10 0 ADAERN OCC[C@H]1CSCC1(F)F 258652266 573436428 /nfs/dbraw/zinc/43/64/28/573436428.db2.gz ZPFABRJURONUAB-YFKPBYRVSA-N 0 0 168.208 1.367 10 0 ADAERN C[C@H](O)C(=O)N(C)CCC1CCC1 258655699 573436438 /nfs/dbraw/zinc/43/64/38/573436438.db2.gz BDKZSASMHRPUAT-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@@H](CCO)c1cccnc1 118856483 573436439 /nfs/dbraw/zinc/43/64/39/573436439.db2.gz UEKWBNCLAIQFJI-QMMMGPOBSA-N 0 0 151.209 1.568 10 0 ADAERN Cc1c(C(=O)[O-])ccc2[nH]cnc12 118867264 573436445 /nfs/dbraw/zinc/43/64/45/573436445.db2.gz QKIANJHHOAKPEC-UHFFFAOYSA-N 0 0 176.175 1.570 10 0 ADAERN Cc1ccc(C2=CC(=O)NC2=O)cc1 49806158 573436446 /nfs/dbraw/zinc/43/64/46/573436446.db2.gz UJNLRBKIVGGVIP-UHFFFAOYSA-N 0 0 187.198 1.035 10 0 ADAERN CC(C)C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C 257812909 573436456 /nfs/dbraw/zinc/43/64/56/573436456.db2.gz AQJZVZVOZRDPMG-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN COc1cc(O)cc2c1CCN=C2 238395594 573436463 /nfs/dbraw/zinc/43/64/63/573436463.db2.gz XKTTXVFIMGVLDP-UHFFFAOYSA-N 0 0 177.203 1.376 10 0 ADAERN CC(=O)[C@H](C)NC(=O)[C@@H](C)C(C)C 83152568 573436465 /nfs/dbraw/zinc/43/64/65/573436465.db2.gz LIHVJSUDYJDYKK-YUMQZZPRSA-N 0 0 185.267 1.372 10 0 ADAERN Nc1cc(-c2ccc(O)cc2F)on1 258021610 573436466 /nfs/dbraw/zinc/43/64/66/573436466.db2.gz IFNOPBXLCXTLNP-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN CCCCCOc1ccc(N)nn1 126205392 573436473 /nfs/dbraw/zinc/43/64/73/573436473.db2.gz UOWIPEDLFYGITE-UHFFFAOYSA-N 0 0 181.239 1.628 10 0 ADAERN CCCCN1C(=O)[C@@H](C)N[C@H]1CCC 138083105 573436485 /nfs/dbraw/zinc/43/64/85/573436485.db2.gz RSBBWILAUAOZJB-NXEZZACHSA-N 0 0 198.310 1.733 10 0 ADAERN [NH3+][C@@H](/C=C/c1ccc(F)cc1)C(=O)[O-] 257812561 573436490 /nfs/dbraw/zinc/43/64/90/573436490.db2.gz BTYHDJXBRXYQMR-SWTNXBIASA-N 0 0 195.193 1.251 10 0 ADAERN O=C1C[C@H](CC(F)(F)Cl)CN1 144273058 573436495 /nfs/dbraw/zinc/43/64/95/573436495.db2.gz NTHWPONGAAWUAJ-SCSAIBSYSA-N 0 0 183.585 1.344 10 0 ADAERN Cc1ccc2c(c1)CC[C@](O)(CO)C2 257812953 573436524 /nfs/dbraw/zinc/43/65/24/573436524.db2.gz BYLNMFYKUMCUDW-GFCCVEGCSA-N 0 0 192.258 1.207 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)OC(C)C 83153244 573436525 /nfs/dbraw/zinc/43/65/25/573436525.db2.gz CJKPMRKGTGRGLM-ZCFIWIBFSA-N 0 0 173.212 1.099 10 0 ADAERN COc1cc(N)cc(C2CCC2)n1 257813149 573436536 /nfs/dbraw/zinc/43/65/36/573436536.db2.gz BYYLJHSRBBGBTG-UHFFFAOYSA-N 0 0 178.235 1.940 10 0 ADAERN CC(=O)[C@H](C)NC(=O)NC(C)(C)C 83153238 573436554 /nfs/dbraw/zinc/43/65/54/573436554.db2.gz QOHDYFVCRVKCFI-LURJTMIESA-N 0 0 186.255 1.062 10 0 ADAERN COc1ccc(CO)c2nsnc12 238395260 573436563 /nfs/dbraw/zinc/43/65/63/573436563.db2.gz ZBXKHYQSZWTFPK-UHFFFAOYSA-N 0 0 196.231 1.192 10 0 ADAERN O=C1CNCC[C@H]1C1CCSCC1 257812991 573436572 /nfs/dbraw/zinc/43/65/72/573436572.db2.gz ARWVYUGLTCCZLT-VIFPVBQESA-N 0 0 199.319 1.308 10 0 ADAERN [NH3+][C@H](c1ccccc1)c1cc(=O)o[n-]1 107233066 573436581 /nfs/dbraw/zinc/43/65/81/573436581.db2.gz PCROTYLLNAVBJW-SNVBAGLBSA-N 0 0 190.202 1.016 10 0 ADAERN CC(=O)c1ccnn1[C@@H]1CCSC1 257813022 573436583 /nfs/dbraw/zinc/43/65/83/573436583.db2.gz CAKOAUXFCYMEGS-MRVPVSSYSA-N 0 0 196.275 1.764 10 0 ADAERN CC(=O)[C@H](C)NC(=O)c1ccc(C)o1 83152426 573436587 /nfs/dbraw/zinc/43/65/87/573436587.db2.gz XSTAHAVXGMOCRZ-ZETCQYMHSA-N 0 0 195.218 1.295 10 0 ADAERN C[C@@H]1CCC[C@@H](n2nnnc2N)[C@@H]1C 86456682 573436590 /nfs/dbraw/zinc/43/65/90/573436590.db2.gz MJAZELFIYNSFIH-BWZBUEFSSA-N 0 0 195.270 1.253 10 0 ADAERN CCCCN1C(=O)[C@](C)(CC)N[C@H]1C 138113559 573436591 /nfs/dbraw/zinc/43/65/91/573436591.db2.gz XOVCPYIONAMGOP-KOLCDFICSA-N 0 0 198.310 1.733 10 0 ADAERN CC[C@@H]1C(=O)CCCN1C(C)C 107224352 573429699 /nfs/dbraw/zinc/42/96/99/573429699.db2.gz AXLKXWHMWLNAIR-SECBINFHSA-N 0 0 169.268 1.838 10 0 ADAERN O=CN[C@H]1CCC[C@H](C(F)(F)F)C1 83145448 573429700 /nfs/dbraw/zinc/42/97/00/573429700.db2.gz ZXFRBPWXXKBRQB-BQBZGAKWSA-N 0 0 195.184 1.854 10 0 ADAERN COc1cc(O)c([C@@H](C)O)c(F)c1 258021817 573436841 /nfs/dbraw/zinc/43/68/41/573436841.db2.gz IKHBVKCHZFXQIZ-RXMQYKEDSA-N 0 0 186.182 1.593 10 0 ADAERN O=Cc1c(C2CC2)nnn1C1CCC1 257812876 573436852 /nfs/dbraw/zinc/43/68/52/573436852.db2.gz BXFJWGMJKWEQBU-UHFFFAOYSA-N 0 0 191.234 1.693 10 0 ADAERN COC(=O)OCC[C@H]1CC=C[C@@H]1O 220248847 573436857 /nfs/dbraw/zinc/43/68/57/573436857.db2.gz NXWZTPCSLRJFMU-SFYZADRCSA-N 0 0 186.207 1.097 10 0 ADAERN Cn1ncc(C=O)c1[C@@H]1CCCCO1 257813294 573436858 /nfs/dbraw/zinc/43/68/58/573436858.db2.gz CBHNSUBQZDCUHV-VIFPVBQESA-N 0 0 194.234 1.474 10 0 ADAERN COc1[nH]c(=O)cc(C(F)F)c1N 238395197 573436896 /nfs/dbraw/zinc/43/68/96/573436896.db2.gz UAQFLYSCVQUHAI-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CC(=O)C[C@H](C)[C@H]1O[C@@H]1C 238395835 573436921 /nfs/dbraw/zinc/43/69/21/573436921.db2.gz HOSLJWVEABRSBH-UIISKDMLSA-N 0 0 142.198 1.389 10 0 ADAERN C[C@@H]1CCC[C@H](n2nnnc2N)C1 86456796 573436932 /nfs/dbraw/zinc/43/69/32/573436932.db2.gz WBKOYVRKNJZGSJ-RQJHMYQMSA-N 0 0 181.243 1.007 10 0 ADAERN COCc1cc(C)c(=O)[nH]c1Cl 144272050 573436937 /nfs/dbraw/zinc/43/69/37/573436937.db2.gz BHUJURWEYQQYCU-UHFFFAOYSA-N 0 0 187.626 1.483 10 0 ADAERN CC[C@H](O)C[C@@H](O)C(F)(F)F 144209066 573436978 /nfs/dbraw/zinc/43/69/78/573436978.db2.gz ZYZQEYYIBPIIEM-CRCLSJGQSA-N 0 0 172.146 1.071 10 0 ADAERN COc1ccc2c(c1C)CNC2=O 238395160 573436987 /nfs/dbraw/zinc/43/69/87/573436987.db2.gz OXPOMBCJPMJAJE-UHFFFAOYSA-N 0 0 177.203 1.247 10 0 ADAERN CC[C@H](C)C(=O)CN1C(=O)CC[C@H]1C 308582152 573437022 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ADAERN CS(=O)(=O)c1cccc2c1CCO2 238395298 573440406 /nfs/dbraw/zinc/44/04/06/573440406.db2.gz ACPQFKUFXKOLFV-UHFFFAOYSA-N 0 0 198.243 1.025 10 0 ADAERN O=C([S-])CC[C@@H]1CCC[NH2+]C1 258022102 573440462 /nfs/dbraw/zinc/44/04/62/573440462.db2.gz RPTRLZXURNCXQE-ZETCQYMHSA-N 0 0 173.281 1.223 10 0 ADAERN COc1ccc2c(c1)[C@@H](C)C2=O 238395909 573440465 /nfs/dbraw/zinc/44/04/65/573440465.db2.gz YIRUMACDKOXARH-ZCFIWIBFSA-N 0 0 162.188 1.995 10 0 ADAERN CC(C)CC(=O)NCc1cc[nH]c1 74988903 573440478 /nfs/dbraw/zinc/44/04/78/573440478.db2.gz VZCFQRKJKCGIJI-UHFFFAOYSA-N 0 0 180.251 1.677 10 0 ADAERN C[C@@H]1CC2(OCCO2)[C@H](C)C[C@@H]1O 238396463 573440481 /nfs/dbraw/zinc/44/04/81/573440481.db2.gz PPOWCMIRWAUHBB-HLTSFMKQSA-N 0 0 186.251 1.156 10 0 ADAERN CC(=O)C[C@H](C)SC(N)=S 238395241 573440487 /nfs/dbraw/zinc/44/04/87/573440487.db2.gz YNNGVVAGSBZIDP-YFKPBYRVSA-N 0 0 177.294 1.331 10 0 ADAERN CCO[C@H](c1ccccc1)[C@@H](C)NN 126200725 573440508 /nfs/dbraw/zinc/44/05/08/573440508.db2.gz 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/nfs/dbraw/zinc/44/06/07/573440607.db2.gz JJADBQDPOMYWFS-YUMQZZPRSA-N 0 0 195.270 1.397 10 0 ADAERN CC(C)(C)C(=O)NCc1cc[nH]c1 74988908 573440625 /nfs/dbraw/zinc/44/06/25/573440625.db2.gz LUQSMPMGGNMHNT-UHFFFAOYSA-N 0 0 180.251 1.677 10 0 ADAERN CC[C@@H](C)C(=O)CN1C(=O)CC[C@H]1C 308582154 573440634 /nfs/dbraw/zinc/44/06/34/573440634.db2.gz PXBLYUOSRZLFIS-RKDXNWHRSA-N 0 0 197.278 1.613 10 0 ADAERN CC[C@@H]([NH2+][C@@H](C)CC(F)F)C(=O)[O-] 308390204 573440637 /nfs/dbraw/zinc/44/06/37/573440637.db2.gz XROXAPYXXYODIK-NTSWFWBYSA-N 0 0 195.209 1.483 10 0 ADAERN CCCCN1C(=O)[C@@H](CC)N[C@H]1CC 138063336 573440649 /nfs/dbraw/zinc/44/06/49/573440649.db2.gz PNEMMDUESQVXEF-NXEZZACHSA-N 0 0 198.310 1.733 10 0 ADAERN O=C([O-])[C@@H]1CCC[N@@H+](C2CC2)CC1 107230610 573440652 /nfs/dbraw/zinc/44/06/52/573440652.db2.gz IXBOEZLASOPFOZ-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN CC(C)(O)Cc1ccc(C=O)cc1 257813528 573440684 /nfs/dbraw/zinc/44/06/84/573440684.db2.gz CCTLGNIXCABCCS-UHFFFAOYSA-N 0 0 178.231 1.813 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573443264 /nfs/dbraw/zinc/44/32/64/573443264.db2.gz KOBUWRQUINPFCA-UHFFFAOYSA-N 0 0 189.218 1.703 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)NC1CCCC1 689954721 573443266 /nfs/dbraw/zinc/44/32/66/573443266.db2.gz JBPXTVAQJSIUDI-BDAKNGLRSA-N 0 0 183.251 1.080 10 0 ADAERN COC[C@](C)(O)c1cc(C)co1 715806928 573443277 /nfs/dbraw/zinc/44/32/77/573443277.db2.gz MQMGOUZXUONQLB-VIFPVBQESA-N 0 0 170.208 1.442 10 0 ADAERN C[C@H](O)C1(CF)CC1 257813455 573443293 /nfs/dbraw/zinc/44/32/93/573443293.db2.gz AEXRKIQPVASIBR-YFKPBYRVSA-N 0 0 118.151 1.117 10 0 ADAERN CCn1cnc([C@@H](O)C[C@@H](C)OC)c1 308586831 573443334 /nfs/dbraw/zinc/44/33/34/573443334.db2.gz MPJWYTQSCYICPB-SCZZXKLOSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](C)/C=C/C[C@@H](C)O 238396815 573443348 /nfs/dbraw/zinc/44/33/48/573443348.db2.gz URZZSJBTEXVNSD-CTDODENGSA-N 0 0 144.214 1.348 10 0 ADAERN C[C@@H](O)C[C@@H]1COc2ccc(O)cc21 238396966 573443355 /nfs/dbraw/zinc/44/33/55/573443355.db2.gz ISMGTCXISLTPLO-HTQZYQBOSA-N 0 0 194.230 1.639 10 0 ADAERN 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573451763 /nfs/dbraw/zinc/45/17/63/573451763.db2.gz OPSZIMBAMRKORS-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN O=Cc1n[nH]c([C@H]2CCCSC2)n1 258037719 573451769 /nfs/dbraw/zinc/45/17/69/573451769.db2.gz JBDPVCVIVPDROB-LURJTMIESA-N 0 0 197.263 1.228 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)C2 257817048 573451788 /nfs/dbraw/zinc/45/17/88/573451788.db2.gz CAZJJRBGLRMUFH-SECBINFHSA-N 0 0 134.178 1.585 10 0 ADAERN C[C@@H]1CC(=O)N(c2ccccc2O)N1 257817290 573451795 /nfs/dbraw/zinc/45/17/95/573451795.db2.gz DUSDRYODSHNSJM-SSDOTTSWSA-N 0 0 192.218 1.022 10 0 ADAERN COC(=O)c1ccc([N+]#N)cc1[O-] 238401002 573451823 /nfs/dbraw/zinc/45/18/23/573451823.db2.gz VDKAXEMGRPIXAH-UHFFFAOYSA-O 0 0 179.155 1.663 10 0 ADAERN CC[C@H]1O[C@@]1(CO)c1ccccc1 142552455 573451831 /nfs/dbraw/zinc/45/18/31/573451831.db2.gz XJLNWVLTBBCNSA-MNOVXSKESA-N 0 0 178.231 1.683 10 0 ADAERN O=C([O-])[C@H]1C[C@H](C2CCCCCC2)[NH2+]1 257816810 573451839 /nfs/dbraw/zinc/45/18/39/573451839.db2.gz DOWUYYJZLWKOOX-NXEZZACHSA-N 0 0 197.278 1.772 10 0 ADAERN CC[C@@H]1O[C@]1(CO)c1ccccc1 142552250 573451857 /nfs/dbraw/zinc/45/18/57/573451857.db2.gz XJLNWVLTBBCNSA-WDEREUQCSA-N 0 0 178.231 1.683 10 0 ADAERN C[N@@H+]1CCC[C@@H]1c1oncc1C(=O)[O-] 257817275 573451872 /nfs/dbraw/zinc/45/18/72/573451872.db2.gz DUGLXYSYWCMBJS-SSDOTTSWSA-N 0 0 196.206 1.140 10 0 ADAERN COc1nc(C=O)nc2c1CCCC2 257817192 573451899 /nfs/dbraw/zinc/45/18/99/573451899.db2.gz DQQFQTPTEVNZPL-UHFFFAOYSA-N 0 0 192.218 1.177 10 0 ADAERN CC(=O)[C@H]1SCC=C[C@H]1C 238401452 573451913 /nfs/dbraw/zinc/45/19/13/573451913.db2.gz KXXLGBRZYWSULN-SVRRBLITSA-N 0 0 156.250 1.883 10 0 ADAERN COc1cccc2c1C(=O)N=NC2=O 238401489 573451971 /nfs/dbraw/zinc/45/19/71/573451971.db2.gz IAZUOWADOZFPHQ-UHFFFAOYSA-N 0 0 190.158 1.441 10 0 ADAERN COc1cccc2c(C=O)onc12 257817458 573452003 /nfs/dbraw/zinc/45/20/03/573452003.db2.gz DRRPGELXQBKGON-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN CCCCCN1C[C@@H](O)CCC1=O 259452080 573452008 /nfs/dbraw/zinc/45/20/08/573452008.db2.gz PILDJZZJIDISNC-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN Cc1ccccc1-n1nc(N)nc1C 86475296 573452030 /nfs/dbraw/zinc/45/20/30/573452030.db2.gz BMWNFIUPHFKPNM-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC(=O)[C@@H]1SCC=C[C@H]1C 238401467 573452059 /nfs/dbraw/zinc/45/20/59/573452059.db2.gz KXXLGBRZYWSULN-HTRCEHHLSA-N 0 0 156.250 1.883 10 0 ADAERN CCCC(=O)N1CC[C@H](O)[C@H](CC)C1 159491145 573452094 /nfs/dbraw/zinc/45/20/94/573452094.db2.gz DVRYHDVMMVJLRY-ZJUUUORDSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@]1(c2ccc(O)cc2)C[C@@H]1CO 257817059 573452097 /nfs/dbraw/zinc/45/20/97/573452097.db2.gz DMIVAWDNWWUSIF-MWLCHTKSSA-N 0 0 178.231 1.662 10 0 ADAERN CCOC(=O)COC1CCC1 50518948 573452099 /nfs/dbraw/zinc/45/20/99/573452099.db2.gz NTHOEEJIUGUYBU-UHFFFAOYSA-N 0 0 158.197 1.119 10 0 ADAERN CC1=CCCC(=O)C(C)(C)C1=O 238400449 573452102 /nfs/dbraw/zinc/45/21/02/573452102.db2.gz GZXBZBGVDIIUFM-SSDOTTSWSA-N 0 0 166.220 1.747 10 0 ADAERN C[C@@H](F)c1cnc(C=O)s1 107257488 573452103 /nfs/dbraw/zinc/45/21/03/573452103.db2.gz LTRAJOGSBOBMMV-SCSAIBSYSA-N 0 0 159.185 1.986 10 0 ADAERN CC[C@@H](C)[C@@H](O)CCc1nccn1C 126267643 573452106 /nfs/dbraw/zinc/45/21/06/573452106.db2.gz MJMVCRTUFQJWGW-ZJUUUORDSA-N 0 0 196.294 1.760 10 0 ADAERN NC1(F)Cc2ccccc2C1 107257755 573452109 /nfs/dbraw/zinc/45/21/09/573452109.db2.gz VNTIBWZOYACIIZ-UHFFFAOYSA-N 0 0 151.184 1.410 10 0 ADAERN O=Cc1c(F)ccc2c1OCCC2 258037755 573452119 /nfs/dbraw/zinc/45/21/19/573452119.db2.gz PWVQXINXYXYKPY-UHFFFAOYSA-N 0 0 180.178 1.963 10 0 ADAERN C[C@@H](CCCO)[C@H]1CCCOC1 213900813 571687169 /nfs/dbraw/zinc/68/71/69/571687169.db2.gz VRGMNGGEUJXOET-UWVGGRQHSA-N 0 0 172.268 1.822 10 0 ADAERN CC(C)[C@@H](CO)[C@H]1CCCCO1 213898008 571687200 /nfs/dbraw/zinc/68/72/00/571687200.db2.gz WRPXAQASQOASOS-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN OC[C@@H](C1CCC1)[C@H]1CCS1 213903009 571687271 /nfs/dbraw/zinc/68/72/71/571687271.db2.gz LNROXODSCKGIHJ-DTWKUNHWSA-N 0 0 172.293 1.901 10 0 ADAERN CC(C)[C@@H](C(O)O)C1CCCC1 213901934 571687278 /nfs/dbraw/zinc/68/72/78/571687278.db2.gz KYTFSYVKXVYJBH-SECBINFHSA-N 0 0 172.268 1.760 10 0 ADAERN O=Cc1oncc1-c1ccccc1O 257817015 573452173 /nfs/dbraw/zinc/45/21/73/573452173.db2.gz BZPBYBYOAPWXEV-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN COc1ccc2c(c1[C@H](C)O)OCO2 213916279 571688661 /nfs/dbraw/zinc/68/86/61/571688661.db2.gz ZAOLZTCHGFDOKW-LURJTMIESA-N 0 0 196.202 1.477 10 0 ADAERN CC(C)C[C@H](C)N(C)Cc1ncon1 687715557 571688664 /nfs/dbraw/zinc/68/86/64/571688664.db2.gz BFKHFLUYMRQJIT-VIFPVBQESA-N 0 0 197.282 1.936 10 0 ADAERN COc1cc2c(cc1[C@@H](C)O)OCO2 213916917 571688772 /nfs/dbraw/zinc/68/87/72/571688772.db2.gz QDHGMPPQRNRGJY-ZCFIWIBFSA-N 0 0 196.202 1.477 10 0 ADAERN ONCc1cncc2ccncc12 214102534 571716069 /nfs/dbraw/zinc/71/60/69/571716069.db2.gz BAMYJZVGQHMWPT-UHFFFAOYSA-N 0 0 175.191 1.109 10 0 ADAERN COc1cccc2nonc12 142510185 573454518 /nfs/dbraw/zinc/45/45/18/573454518.db2.gz XQSGFXOSXLMTQI-UHFFFAOYSA-N 0 0 150.137 1.231 10 0 ADAERN COC(=O)[C@@]12CCC=C1C[C@@H](O)CC2 238401637 573454521 /nfs/dbraw/zinc/45/45/21/573454521.db2.gz GFSMPZIXCCHLAO-GXSJLCMTSA-N 0 0 196.246 1.411 10 0 ADAERN CCCc1nnc2n1[C@H](O)CCC2 258365282 573454527 /nfs/dbraw/zinc/45/45/27/573454527.db2.gz SCPILPQXDKHBSS-SECBINFHSA-N 0 0 181.239 1.058 10 0 ADAERN CSC(=N)NC(=O)N(C)C(C)C 142526260 573454529 /nfs/dbraw/zinc/45/45/29/573454529.db2.gz VYILKLMDIGUWCE-UHFFFAOYSA-N 0 0 189.284 1.334 10 0 ADAERN C[C@H](O)C[C@H]1CCC[C@@H]1F 259457217 573454535 /nfs/dbraw/zinc/45/45/35/573454535.db2.gz VWPPIJSNXWCVKS-RNJXMRFFSA-N 0 0 146.205 1.896 10 0 ADAERN CCCOCC[C@H](O)CCCOC 162166178 573454536 /nfs/dbraw/zinc/45/45/36/573454536.db2.gz AJHNCWQKTZEYJH-SNVBAGLBSA-N 0 0 190.283 1.591 10 0 ADAERN COc1cncc([C@@H]2CCCC2=O)c1 124398897 573454555 /nfs/dbraw/zinc/45/45/55/573454555.db2.gz SJPYGYIHHBCLKV-JTQLQIEISA-N 0 0 191.230 1.927 10 0 ADAERN C[C@@]1(C2CCSCC2)CCC(=O)N1 257817395 573454558 /nfs/dbraw/zinc/45/45/58/573454558.db2.gz CHVPDIKQXCNVRL-JTQLQIEISA-N 0 0 199.319 1.798 10 0 ADAERN C[C@@H]1C=CCC(=O)[C@]12CCCC2=O 238400523 573454599 /nfs/dbraw/zinc/45/45/99/573454599.db2.gz PXEHDDJPBFJFCA-KCJUWKMLSA-N 0 0 178.231 1.891 10 0 ADAERN COC(=O)[C@@H](F)c1ccc(OC)cc1 257817333 573454608 /nfs/dbraw/zinc/45/46/08/573454608.db2.gz CGQLKYYDSYRKFK-VIFPVBQESA-N 0 0 198.193 1.879 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2c(O)cccc2N1 258354784 573454619 /nfs/dbraw/zinc/45/46/19/573454619.db2.gz YUYYPJWJCDZLBW-MUWHJKNJSA-N 0 0 179.219 1.110 10 0 ADAERN Cc1coc(C2(O)CCC(=O)CC2)c1 715808844 573454641 /nfs/dbraw/zinc/45/46/41/573454641.db2.gz YGKFFCYPCHFAIY-UHFFFAOYSA-N 0 0 194.230 1.919 10 0 ADAERN Nc1c(Cl)cccc1CCCO 257817503 573454651 /nfs/dbraw/zinc/45/46/51/573454651.db2.gz DSXTXDMVEWLXKH-UHFFFAOYSA-N 0 0 185.654 1.847 10 0 ADAERN CO[C@@H](CO)CCc1cccc(O)c1 257817222 573454660 /nfs/dbraw/zinc/45/46/60/573454660.db2.gz DRRYKWGAPZUHGU-LLVKDONJSA-N 0 0 196.246 1.332 10 0 ADAERN OCC1CC(c2ccc(O)cc2)C1 257817022 573454671 /nfs/dbraw/zinc/45/46/71/573454671.db2.gz DLOUGCBJJWXUPM-UHFFFAOYSA-N 0 0 178.231 1.878 10 0 ADAERN Cc1coc([C@@H](O)c2cncn2C)c1 715808890 573454678 /nfs/dbraw/zinc/45/46/78/573454678.db2.gz YYKDASPKIBNJBZ-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN C[C@]1(c2ccc(O)cc2)C[C@H]1CO 257817055 573454680 /nfs/dbraw/zinc/45/46/80/573454680.db2.gz DMIVAWDNWWUSIF-GXSJLCMTSA-N 0 0 178.231 1.662 10 0 ADAERN C[C@@H](O)C[C@H]1COc2ccc(O)cc21 238400527 573454710 /nfs/dbraw/zinc/45/47/10/573454710.db2.gz ISMGTCXISLTPLO-SFYZADRCSA-N 0 0 194.230 1.639 10 0 ADAERN Cc1cccc(CN2NCCC2=O)c1 257816833 573454725 /nfs/dbraw/zinc/45/47/25/573454725.db2.gz DPVGHCQOPDBQTM-UHFFFAOYSA-N 0 0 190.246 1.232 10 0 ADAERN CC(C)Oc1cncc(CCO)c1 124392481 573454731 /nfs/dbraw/zinc/45/47/31/573454731.db2.gz XHIPGEQAQOCUHF-UHFFFAOYSA-N 0 0 181.235 1.404 10 0 ADAERN CC[C@H](COC)Nc1cn[nH]c1 70623858 571700526 /nfs/dbraw/zinc/70/05/26/571700526.db2.gz JNWBEURIAUXKGA-SSDOTTSWSA-N 0 0 169.228 1.247 10 0 ADAERN CCC[C@H](COC)Nc1cccnn1 70626093 571704317 /nfs/dbraw/zinc/70/43/17/571704317.db2.gz AXGVICLCNRYUON-SECBINFHSA-N 0 0 195.266 1.704 10 0 ADAERN COc1cc(C)nc(OC)c1[C@H](C)O 214022211 571704328 /nfs/dbraw/zinc/70/43/28/571704328.db2.gz VFKXFBPLLURXII-ZETCQYMHSA-N 0 0 197.234 1.461 10 0 ADAERN Cc1cc(O)c(CO)c(Cl)c1 214043007 571707183 /nfs/dbraw/zinc/70/71/83/571707183.db2.gz VHFFQCAHYLTHPS-UHFFFAOYSA-N 0 0 172.611 1.846 10 0 ADAERN CCC(=O)[C@H]1CCCN1C(=O)OC 214042961 571707214 /nfs/dbraw/zinc/70/72/14/571707214.db2.gz OJURYSBGVBLIOA-SSDOTTSWSA-N 0 0 185.223 1.196 10 0 ADAERN O=C1[C@H]2C=CC[C@H]2C12CC2 224919227 573454786 /nfs/dbraw/zinc/45/47/86/573454786.db2.gz XAGSSJQAPYVPCR-NKWVEPMBSA-N 0 0 134.178 1.542 10 0 ADAERN CC(=O)N1CCC[C@@H]1[C@@H](C)CCO 214047694 571707225 /nfs/dbraw/zinc/70/72/25/571707225.db2.gz JJNFVBAVQICPGH-WCBMZHEXSA-N 0 0 185.267 1.016 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H]1CCC[C@H]1C 235259087 571711469 /nfs/dbraw/zinc/71/14/69/571711469.db2.gz WIEJPSZNFIWLOQ-IZRRHEBBSA-N 0 0 197.278 1.796 10 0 ADAERN CCC1(C[N@H+](C)[C@H](C)C(=O)[O-])CCC1 308590231 573454793 /nfs/dbraw/zinc/45/47/93/573454793.db2.gz UYDHOVYWZARCPJ-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCCc1cn2c(n1)[C@@H](O)CCC2 258361624 573454807 /nfs/dbraw/zinc/45/48/07/573454807.db2.gz LUCHCJLBGSFBFA-VIFPVBQESA-N 0 0 180.251 1.663 10 0 ADAERN C[C@]1(O)C[C@@H]2CCCC[C@H]21 166272052 573454808 /nfs/dbraw/zinc/45/48/08/573454808.db2.gz DUUIKCGXSYAEDK-YIZRAAEISA-N 0 0 140.226 1.948 10 0 ADAERN Cc1nn(C)c2c1C(=O)C[C@@H](C)C2 142510732 573454810 /nfs/dbraw/zinc/45/48/10/573454810.db2.gz VEERRSWBYCOKRC-LURJTMIESA-N 0 0 178.235 1.494 10 0 ADAERN CC(C)[C@H](C)CN1CCC(=O)CC1=O 86476256 573454812 /nfs/dbraw/zinc/45/48/12/573454812.db2.gz VTPIWMRTOOJXHV-SECBINFHSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@H](O)c1ccc2cnccn12 142558030 573454820 /nfs/dbraw/zinc/45/48/20/573454820.db2.gz SNMBFMSLRABHSD-ZETCQYMHSA-N 0 0 162.192 1.388 10 0 ADAERN C[C@H]1CCC[C@@H]1N1CCC(=O)CC1=O 86476196 573454822 /nfs/dbraw/zinc/45/48/22/573454822.db2.gz LCGNAVHVLDROLV-WPRPVWTQSA-N 0 0 195.262 1.367 10 0 ADAERN OC1(c2cc3ccncc3o2)CC1 214099803 571715998 /nfs/dbraw/zinc/71/59/98/571715998.db2.gz SBLPTRMOSNUDLZ-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN S=C1NC[C@@H](Cc2ccccc2)N1 116625954 571716023 /nfs/dbraw/zinc/71/60/23/571716023.db2.gz AYOSMVQZZOYJPB-SECBINFHSA-N 0 0 192.287 1.075 10 0 ADAERN O=C1CC(=O)N(CC2CCCCC2)C1 86475507 573455129 /nfs/dbraw/zinc/45/51/29/573455129.db2.gz VVUIWKHTGNYRPW-UHFFFAOYSA-N 0 0 195.262 1.368 10 0 ADAERN CCCc1nnc2n1[C@@H](O)CCC2 258365286 573455137 /nfs/dbraw/zinc/45/51/37/573455137.db2.gz SCPILPQXDKHBSS-VIFPVBQESA-N 0 0 181.239 1.058 10 0 ADAERN COc1c(C(C)=O)ccnc1Cl 238400736 573455140 /nfs/dbraw/zinc/45/51/40/573455140.db2.gz FGWPRPRIRNPVGC-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN COC(=O)[C@@H]1[NH2+][C@H](C)[C@H]2CCCC[C@@H]21 107266301 573455166 /nfs/dbraw/zinc/45/51/66/573455166.db2.gz JZVPBGPESCIAGI-DOLQZWNJSA-N 0 0 197.278 1.326 10 0 ADAERN Nc1ccc2c(c1)N1C[C@@H]3C[C@@H]3[C@H]1C2 257817772 573455170 /nfs/dbraw/zinc/45/51/70/573455170.db2.gz DTFIHEKXTPAGAT-PTOFAABTSA-N 0 0 186.258 1.650 10 0 ADAERN CC(=O)Cc1ncc2ccc(C)cn12 258365770 573455172 /nfs/dbraw/zinc/45/51/72/573455172.db2.gz RVZQVRDYVPSTBQ-UHFFFAOYSA-N 0 0 188.230 1.774 10 0 ADAERN OC[C@@H]1Nc2ccccc2[C@H]2C[C@H]21 257814009 573455174 /nfs/dbraw/zinc/45/51/74/573455174.db2.gz CIDFFDKVRQWUJD-KKZNHRDASA-N 0 0 175.231 1.577 10 0 ADAERN COC(=O)Cc1ncc(C)cc1C 238400753 573455183 /nfs/dbraw/zinc/45/51/83/573455183.db2.gz QQRVKTCERIWWFB-UHFFFAOYSA-N 0 0 179.219 1.414 10 0 ADAERN COC[C@H](CO)c1ccc(OC)cc1 258353516 573455195 /nfs/dbraw/zinc/45/51/95/573455195.db2.gz RAQQQMDXCGSIMU-JTQLQIEISA-N 0 0 196.246 1.418 10 0 ADAERN CCCN[C@]1(C(=O)OC)C[C@@H](C)[C@H]1C 308590977 573455196 /nfs/dbraw/zinc/45/51/96/573455196.db2.gz VJSFBVRHRIDCKS-FXPVBKGRSA-N 0 0 199.294 1.574 10 0 ADAERN O=C([O-])[C@@]1(C2CCC2)CCCC[NH2+]1 258360198 573455219 /nfs/dbraw/zinc/45/52/19/573455219.db2.gz ZXGRSCGTQWIAHK-JTQLQIEISA-N 0 0 183.251 1.383 10 0 ADAERN Cc1cccc(N(C)C)c1CNO 259454329 573455240 /nfs/dbraw/zinc/45/52/40/573455240.db2.gz MVLCGVXYSYPMRV-UHFFFAOYSA-N 0 0 180.251 1.540 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H]1CC[C@@H](C)C1 235273845 571716478 /nfs/dbraw/zinc/71/64/78/571716478.db2.gz NWFHGENZPTXYSV-GCWOIFJASA-N 0 0 197.278 1.796 10 0 ADAERN OC(O)[C@@H](C1CC1)[C@@H]1CCSC1 214112752 571716482 /nfs/dbraw/zinc/71/64/82/571716482.db2.gz DPVWCSDHUFKLGO-SFYZADRCSA-N 0 0 188.292 1.076 10 0 ADAERN CCN(C)C(=O)[C@H](N)c1cccs1 133961446 571716499 /nfs/dbraw/zinc/71/64/99/571716499.db2.gz FJRGRBVXEIQTRB-MRVPVSSYSA-N 0 0 198.291 1.226 10 0 ADAERN C/C(=C/C[NH2+][C@@H]1CC[C@@H](C)C1)C(=O)[O-] 235273497 571716510 /nfs/dbraw/zinc/71/65/10/571716510.db2.gz CDLGPKLXFVWJHS-ZOGXEDGJSA-N 0 0 197.278 1.796 10 0 ADAERN CC(C)=CC(=O)N(CCCO)C(C)C 38098382 571716541 /nfs/dbraw/zinc/71/65/41/571716541.db2.gz NUKSWQSKJVHIJU-UHFFFAOYSA-N 0 0 199.294 1.572 10 0 ADAERN Nc1ccc(C[C@H]2CCCS2)nn1 259456317 573455266 /nfs/dbraw/zinc/45/52/66/573455266.db2.gz MYBJTGXQYHLIME-MRVPVSSYSA-N 0 0 195.291 1.497 10 0 ADAERN COC[C@@H](CO)c1ccc(C)cc1 134064290 571716933 /nfs/dbraw/zinc/71/69/33/571716933.db2.gz JICYJNYTWKPWNB-LLVKDONJSA-N 0 0 180.247 1.717 10 0 ADAERN CCC(=O)N(CCCO)C(C)C 38098405 571716976 /nfs/dbraw/zinc/71/69/76/571716976.db2.gz ZFXNXBOCSRMKCZ-UHFFFAOYSA-N 0 0 173.256 1.016 10 0 ADAERN CC[C@@H]1CC[C@H](N[C@@H](C)C(=O)OC)C1 70643205 571717003 /nfs/dbraw/zinc/71/70/03/571717003.db2.gz QFAJAZXMVIFPOB-AEJSXWLSSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@@H](C(O)O)[C@@H]1CCCOCC1 214109812 571717006 /nfs/dbraw/zinc/71/70/06/571717006.db2.gz BERAIIMKWGTSKJ-RKDXNWHRSA-N 0 0 188.267 1.140 10 0 ADAERN C[C@@H]1CC[C@@H]([NH2+]C/C=C/C(=O)[O-])C1 235273648 571717013 /nfs/dbraw/zinc/71/70/13/571717013.db2.gz BJRLNKMZUJLTQQ-KHVQUVQLSA-N 0 0 183.251 1.405 10 0 ADAERN CC(=O)CCCS[C@H](C)[C@@H](C)O 235277806 571717023 /nfs/dbraw/zinc/71/70/23/571717023.db2.gz YIUMRCWDJKJPET-RKDXNWHRSA-N 0 0 190.308 1.858 10 0 ADAERN C[C@@H]1C=CCC[C@@H]1CC(N)=O 238400826 573455286 /nfs/dbraw/zinc/45/52/86/573455286.db2.gz CTPAOPPYSMSGLE-HTQZYQBOSA-N 0 0 153.225 1.464 10 0 ADAERN CCCC[C@@H](CCOCC)NN 130163477 573455289 /nfs/dbraw/zinc/45/52/89/573455289.db2.gz JWQVPNGDAPRAHI-VIFPVBQESA-N 0 0 174.288 1.435 10 0 ADAERN Cc1cc(C2(O)CC2)cc(C)c1N 214162065 571726283 /nfs/dbraw/zinc/72/62/83/571726283.db2.gz QCTIEANJDDKPGT-UHFFFAOYSA-N 0 0 177.247 1.867 10 0 ADAERN C[C@@]1(c2cccc(O)c2)C[C@H]1CO 257817887 573455309 /nfs/dbraw/zinc/45/53/09/573455309.db2.gz DUVUJEQNUBPHFC-ONGXEEELSA-N 0 0 178.231 1.662 10 0 ADAERN Cc1nc(COc2cccnc2)co1 258364115 573455315 /nfs/dbraw/zinc/45/53/15/573455315.db2.gz ZLTMSUQCKJRCDL-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN Nc1ccc2c(c1)C[C@H](CO)CC2 257814004 573455316 /nfs/dbraw/zinc/45/53/16/573455316.db2.gz CHUQWTVOIPFQOB-MRVPVSSYSA-N 0 0 177.247 1.366 10 0 ADAERN Cc1nc(Cl)cc([C@H](C)O)n1 107261837 573455325 /nfs/dbraw/zinc/45/53/25/573455325.db2.gz VVRWSFADKURHPF-BYPYZUCNSA-N 0 0 172.615 1.492 10 0 ADAERN C[C@@H](c1ccco1)N1CC(=O)CC1=O 86475530 573455328 /nfs/dbraw/zinc/45/53/28/573455328.db2.gz FDJWTAYKUDMTSQ-ZETCQYMHSA-N 0 0 193.202 1.142 10 0 ADAERN COC(OC)c1cccc(CO)c1 214299614 571745756 /nfs/dbraw/zinc/74/57/56/571745756.db2.gz FGJCWVVVZULLOS-UHFFFAOYSA-N 0 0 182.219 1.470 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@@H]1CCC[N@H+](C)C1 214291889 571745770 /nfs/dbraw/zinc/74/57/70/571745770.db2.gz IRUJSGCORPMYBE-VHSXEESVSA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)CCS[C@@H]1CCO[C@H]1C 235299211 571745826 /nfs/dbraw/zinc/74/58/26/571745826.db2.gz KBLHJGXCOSSLDN-DTWKUNHWSA-N 0 0 188.292 1.876 10 0 ADAERN COc1c(CO)cc(C)c(O)c1C 214299302 571745836 /nfs/dbraw/zinc/74/58/36/571745836.db2.gz LGGKXKOERADIII-UHFFFAOYSA-N 0 0 182.219 1.510 10 0 ADAERN C[C@@H](O)C(F)(F)C1CCOCC1 257817962 573455346 /nfs/dbraw/zinc/45/53/46/573455346.db2.gz DWIIWRQHBYPXIK-ZCFIWIBFSA-N 0 0 180.194 1.429 10 0 ADAERN CC(C)(C)OC(=O)NC[C@H](F)CF 107264873 573455353 /nfs/dbraw/zinc/45/53/53/573455353.db2.gz ZRXDTDMMRDXWFO-ZCFIWIBFSA-N 0 0 195.209 1.819 10 0 ADAERN C[C@H](O)[C@H]1Cc2c(O)cccc2N1 258354779 573455357 /nfs/dbraw/zinc/45/53/57/573455357.db2.gz YUYYPJWJCDZLBW-IMTBSYHQSA-N 0 0 179.219 1.110 10 0 ADAERN COc1cccc2c1OC[C@@H](C)[C@H]2O 238400432 573455359 /nfs/dbraw/zinc/45/53/59/573455359.db2.gz FARKZZMTLVSXQZ-GMSGAONNSA-N 0 0 194.230 1.757 10 0 ADAERN CCCC(=O)Cc1nc(CC)no1 70996917 571763673 /nfs/dbraw/zinc/76/36/73/571763673.db2.gz VYERVQMWAYGWIP-UHFFFAOYSA-N 0 0 182.223 1.544 10 0 ADAERN CC(C)Cc1noc([C@@H](C)[C@H](C)O)n1 70997898 571763713 /nfs/dbraw/zinc/76/37/13/571763713.db2.gz NAEKHFDFVCFWLY-YUMQZZPRSA-N 0 0 198.266 1.752 10 0 ADAERN COc1cncc([C@H]2CCC[C@H]2O)c1 124390332 573455093 /nfs/dbraw/zinc/45/50/93/573455093.db2.gz YEORTFRASNGWIG-GHMZBOCLSA-N 0 0 193.246 1.719 10 0 ADAERN CCO[C@@H]1c2ccccc2C[C@H]1O 39252689 571916715 /nfs/dbraw/zinc/91/67/15/571916715.db2.gz UJOCWOHUQOVJCC-GHMZBOCLSA-N 0 0 178.231 1.681 10 0 ADAERN COC(=O)/C=C/C[C@H]1CCCO1 687679246 571916717 /nfs/dbraw/zinc/91/67/17/571916717.db2.gz GMESTFAYORGVDP-HYTREOMXSA-N 0 0 170.208 1.285 10 0 ADAERN C[C@]1(CCO)CC1(Cl)Cl 39258986 571916720 /nfs/dbraw/zinc/91/67/20/571916720.db2.gz LMFUWXKDOORNSF-YFKPBYRVSA-N 0 0 169.051 1.953 10 0 ADAERN CCC(=O)CCC[C@@H](C)O 39253479 571916724 /nfs/dbraw/zinc/91/67/24/571916724.db2.gz YFBDMUJOFKYAGE-SSDOTTSWSA-N 0 0 144.214 1.517 10 0 ADAERN O=c1[nH]c2ccsc2n2cccc12 39257472 571916732 /nfs/dbraw/zinc/91/67/32/571916732.db2.gz HVQTUKRBUPPQFO-UHFFFAOYSA-N 0 0 190.227 1.842 10 0 ADAERN COC(=O)C/C=C1/CCSC1 687679476 571916737 /nfs/dbraw/zinc/91/67/37/571916737.db2.gz ALSUQJYVMGFDJW-UQCOIBPSSA-N 0 0 172.249 1.613 10 0 ADAERN Cc1cc(O)c2cc[nH]c2c1O 39256425 571916742 /nfs/dbraw/zinc/91/67/42/571916742.db2.gz YBNYEJYBJQNQLU-UHFFFAOYSA-N 0 0 163.176 1.888 10 0 ADAERN N[C@]1(c2ccccc2F)CSC=N1 687729203 571916746 /nfs/dbraw/zinc/91/67/46/571916746.db2.gz WYWKEWARWLATFY-SECBINFHSA-N 0 0 196.250 1.712 10 0 ADAERN COc1cc2c(N)nccc2cn1 238402886 573456815 /nfs/dbraw/zinc/45/68/15/573456815.db2.gz IAHCFKHNYGLHPU-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN CC1(C)NC(=S)C1(C)C 142588462 573456825 /nfs/dbraw/zinc/45/68/25/573456825.db2.gz JACYTTNFMWBTRN-UHFFFAOYSA-N 0 0 143.255 1.722 10 0 ADAERN COc1cc2cc(CO)[nH]c2cc1C 238403655 573456846 /nfs/dbraw/zinc/45/68/46/573456846.db2.gz XTHZLBKWTHYUTE-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N1CC(=O)CC1=O 86475458 573456847 /nfs/dbraw/zinc/45/68/47/573456847.db2.gz QIMDQCQBYQFZNZ-SCZZXKLOSA-N 0 0 195.262 1.367 10 0 ADAERN CCOc1cnn([C@H](C)C(=O)OC)c1 308591535 573456850 /nfs/dbraw/zinc/45/68/50/573456850.db2.gz PEYIDXNADKIVNF-SSDOTTSWSA-N 0 0 198.222 1.016 10 0 ADAERN CC(C)(C)OC(=O)NC[C@@H](F)CF 107264876 573456878 /nfs/dbraw/zinc/45/68/78/573456878.db2.gz ZRXDTDMMRDXWFO-LURJTMIESA-N 0 0 195.209 1.819 10 0 ADAERN Nc1oncc1[C@@H]1CCCSC1 257817857 573456885 /nfs/dbraw/zinc/45/68/85/573456885.db2.gz DUGJZLXSVLGDBL-ZCFIWIBFSA-N 0 0 184.264 1.867 10 0 ADAERN C[C@@H]1C=C[C@@H](C)[C@H]2C(=O)C=C(O)[C@@H]12 238403407 573456899 /nfs/dbraw/zinc/45/68/99/573456899.db2.gz UBEXOKZKPJGPRB-CCXSFMJYSA-N 0 0 178.231 1.603 10 0 ADAERN C[C@H](O)CC[C@@H](O)CCc1cc[nH]c1 78444134 573456905 /nfs/dbraw/zinc/45/69/05/573456905.db2.gz FDERJBZQTVJMNF-GXSJLCMTSA-N 0 0 197.278 1.469 10 0 ADAERN CC(C)C[C@@H](C)N1CCC(=O)CC1=O 86476020 573456913 /nfs/dbraw/zinc/45/69/13/573456913.db2.gz YCUPCDQQYAZZNO-SECBINFHSA-N 0 0 197.278 1.613 10 0 ADAERN COc1cc(C[NH3+])cc(F)c1[S-] 238403597 573456918 /nfs/dbraw/zinc/45/69/18/573456918.db2.gz RWBYGJLYZBZIOB-UHFFFAOYSA-N 0 0 187.239 1.582 10 0 ADAERN CCO[C@H](C)[C@H](O)c1ccco1 70830176 571763724 /nfs/dbraw/zinc/76/37/24/571763724.db2.gz YUKWUHOGLTZCMK-APPZFPTMSA-N 0 0 170.208 1.738 10 0 ADAERN COC[C@H](C)[C@@]1(O)CCOC[C@H]1C 687799444 571764051 /nfs/dbraw/zinc/76/40/51/571764051.db2.gz MIAGCSLAZLDFRZ-AEJSXWLSSA-N 0 0 188.267 1.056 10 0 ADAERN C[C@H]1CCC[C@H](N2CC(=O)CC2=O)C1 86475503 573456960 /nfs/dbraw/zinc/45/69/60/573456960.db2.gz FGFQDDZYVPWTBL-IUCAKERBSA-N 0 0 195.262 1.367 10 0 ADAERN COc1ccc2c(c1)C(=O)[C@@H](CO)C2 238402808 573456970 /nfs/dbraw/zinc/45/69/70/573456970.db2.gz PWYHSUNQPAVFNL-MRVPVSSYSA-N 0 0 192.214 1.043 10 0 ADAERN Oc1cccc2c1OCCCCN2 258363496 573456976 /nfs/dbraw/zinc/45/69/76/573456976.db2.gz RQSKIUHXIHEAGE-UHFFFAOYSA-N 0 0 179.219 1.977 10 0 ADAERN O=C1N[C@@H](CF)[C@@H](c2ccccc2)O1 107264755 573456987 /nfs/dbraw/zinc/45/69/87/573456987.db2.gz BJSOPAQLWKOCSL-DTWKUNHWSA-N 0 0 195.193 1.806 10 0 ADAERN CNc1nc2ccccc2n2ccnc12 34450660 571803763 /nfs/dbraw/zinc/80/37/63/571803763.db2.gz PQWJZPICCLXEMQ-UHFFFAOYSA-N 0 0 198.229 1.924 10 0 ADAERN Cc1nc(N)nn1-c1cccc(F)c1 86475327 573456996 /nfs/dbraw/zinc/45/69/96/573456996.db2.gz BXJNXKNZMJKXTA-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN COc1ccc2c(c1)[C@H](O)C2 238402232 573457012 /nfs/dbraw/zinc/45/70/12/573457012.db2.gz ZBAYUHVPFCTOSP-SECBINFHSA-N 0 0 150.177 1.285 10 0 ADAERN CCc1n[nH]c2cccc(C=O)c12 257813951 573457023 /nfs/dbraw/zinc/45/70/23/573457023.db2.gz CFTSCWZRAYCQME-UHFFFAOYSA-N 0 0 174.203 1.938 10 0 ADAERN COC(=O)c1cccc(NC=S)c1 238403741 573457027 /nfs/dbraw/zinc/45/70/27/573457027.db2.gz ORHXDYAUIRBICC-UHFFFAOYSA-N 0 0 195.243 1.842 10 0 ADAERN C[C@H](O)c1ncc2cc(F)ccn12 257817776 573457030 /nfs/dbraw/zinc/45/70/30/573457030.db2.gz DTGKLECYNNZPHG-LURJTMIESA-N 0 0 180.182 1.527 10 0 ADAERN C[C@@H](O)Cc1cccc2c1NCCC2 238403161 573457037 /nfs/dbraw/zinc/45/70/37/573457037.db2.gz IRGQOFJSGBWASX-SECBINFHSA-N 0 0 191.274 1.968 10 0 ADAERN CC(C)[C@@H](C)CN1CCC(=O)CC1=O 86476255 573457045 /nfs/dbraw/zinc/45/70/45/573457045.db2.gz VTPIWMRTOOJXHV-VIFPVBQESA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ccccc1[C@@H]1[NH2+]C[C@H]1C(=O)[O-] 257817712 573457046 /nfs/dbraw/zinc/45/70/46/573457046.db2.gz DXKKCCUIFZEYRB-ZJUUUORDSA-N 0 0 191.230 1.340 10 0 ADAERN OCc1cccc(-c2cnccn2)n1 196382515 571889243 /nfs/dbraw/zinc/88/92/43/571889243.db2.gz HKUCVGPKMIUKGG-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN CC(C)(Cc1ccccc1O)ON 259457046 573457050 /nfs/dbraw/zinc/45/70/50/573457050.db2.gz MPYYSJVRFJTYEK-UHFFFAOYSA-N 0 0 181.235 1.604 10 0 ADAERN COc1cc2c(Cl)ncnc2cn1 238402638 573457051 /nfs/dbraw/zinc/45/70/51/573457051.db2.gz RGKRAKBHSLNLLS-UHFFFAOYSA-N 0 0 195.609 1.687 10 0 ADAERN O=C1CC(=O)N(c2ccc(F)cc2)C1 86475428 573457052 /nfs/dbraw/zinc/45/70/52/573457052.db2.gz HMSKYEHYOFMZOW-UHFFFAOYSA-N 0 0 193.177 1.132 10 0 ADAERN CC[P@](=O)(OC)[C@@H](C)O 142614864 573457054 /nfs/dbraw/zinc/45/70/54/573457054.db2.gz GDFDDQPMVNCJSH-CDUCUWFYSA-N 0 0 152.130 1.269 10 0 ADAERN O[C@H]1CCc2c(Cl)ncnc21 107266189 573457056 /nfs/dbraw/zinc/45/70/56/573457056.db2.gz RSSKKUZDMPGFPD-YFKPBYRVSA-N 0 0 170.599 1.110 10 0 ADAERN CCCC[C@H](NN)[C@@H]1OCC[C@H]1C 130172359 573457060 /nfs/dbraw/zinc/45/70/60/573457060.db2.gz KVUOMABLQFDILS-KXUCPTDWSA-N 0 0 186.299 1.434 10 0 ADAERN Cc1ccccc1[C@@](C)(O)CCCO 259454789 573457067 /nfs/dbraw/zinc/45/70/67/573457067.db2.gz WGNJQEYLGWCEIQ-LBPRGKRZSA-N 0 0 194.274 1.975 10 0 ADAERN Cc1csc([C@H]2C[C@H](F)C[NH2+]2)n1 107266860 573457070 /nfs/dbraw/zinc/45/70/70/573457070.db2.gz HAUNYMXZYSACLZ-NKWVEPMBSA-N 0 0 186.255 1.824 10 0 ADAERN C[C@@H](O)Cc1nsc(NC2CC2)n1 238403238 573457089 /nfs/dbraw/zinc/45/70/89/573457089.db2.gz IJHOPDGVSVKXLR-RXMQYKEDSA-N 0 0 199.279 1.036 10 0 ADAERN CC(C)[C@](O)(C(N)=O)c1ccccc1 39208752 571909137 /nfs/dbraw/zinc/90/91/37/571909137.db2.gz BSIBQWOEZBFBDT-LLVKDONJSA-N 0 0 193.246 1.016 10 0 ADAERN Cc1coc(N(C)C)n1 39212923 571909146 /nfs/dbraw/zinc/90/91/46/571909146.db2.gz PCZQSCQNKWXXCP-UHFFFAOYSA-N 0 0 126.159 1.049 10 0 ADAERN C[C@H](CC1CC1)Nc1nnc(CN)o1 235446320 571909151 /nfs/dbraw/zinc/90/91/51/571909151.db2.gz BRMQJFVEFJEZJX-ZCFIWIBFSA-N 0 0 196.254 1.129 10 0 ADAERN C[C@H](O)[C@H](CO)c1ccccc1 39208618 571909171 /nfs/dbraw/zinc/90/91/71/571909171.db2.gz DCNMHZIUXXXJIC-WPRPVWTQSA-N 0 0 166.220 1.143 10 0 ADAERN C[C@H](O)[C@@H](CO)c1ccccc1 39208616 571909181 /nfs/dbraw/zinc/90/91/81/571909181.db2.gz DCNMHZIUXXXJIC-WCBMZHEXSA-N 0 0 166.220 1.143 10 0 ADAERN O=C1CCCC[C@H](O)CC1 39216331 571909187 /nfs/dbraw/zinc/90/91/87/571909187.db2.gz TZBQHMYSTXIRKH-ZETCQYMHSA-N 0 0 142.198 1.271 10 0 ADAERN COC1=NCCCC[C@H]1C 39212411 571909196 /nfs/dbraw/zinc/90/91/96/571909196.db2.gz JOGRZHREZXEWTH-SSDOTTSWSA-N 0 0 141.214 1.851 10 0 ADAERN C[C@H](CC1CC1)[N@H+](C)CCCC(=O)[O-] 229759349 571909201 /nfs/dbraw/zinc/90/92/01/571909201.db2.gz CVDSROUCJIKRPG-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)/C(C)=C\c1ccncn1 379323566 571909202 /nfs/dbraw/zinc/90/92/02/571909202.db2.gz RCKIWIXAHFMUBK-ALCCZGGFSA-N 0 0 162.192 1.469 10 0 ADAERN COC[C@@H](NN)c1ccoc1Cl 234727031 571909209 /nfs/dbraw/zinc/90/92/09/571909209.db2.gz CVIQDLNLMZWXQO-ZCFIWIBFSA-N 0 0 190.630 1.084 10 0 ADAERN Nc1ccccc1N=O 39215874 571909222 /nfs/dbraw/zinc/90/92/22/571909222.db2.gz APVQNDRXQVWGKX-UHFFFAOYSA-N 0 0 122.127 1.667 10 0 ADAERN C/C=C(\C)C(=O)Nn1cccc1 379317900 571909223 /nfs/dbraw/zinc/90/92/23/571909223.db2.gz IGBXCGKSQKEJSJ-FPYGCLRLSA-N 0 0 164.208 1.524 10 0 ADAERN Cn1ncc(Cl)c1/C=C\CO 394645341 571909227 /nfs/dbraw/zinc/90/92/27/571909227.db2.gz QALGKKIGLNMKNJ-IHWYPQMZSA-N 0 0 172.615 1.079 10 0 ADAERN Cc1nc2ccccc2c(C=O)c1N 39212284 571909230 /nfs/dbraw/zinc/90/92/30/571909230.db2.gz FAIOCHFGAHGOTR-UHFFFAOYSA-N 0 0 186.214 1.938 10 0 ADAERN O=C1C[C@@H]2CCC[C@H]2CCN1 39212544 571909242 /nfs/dbraw/zinc/90/92/42/571909242.db2.gz DVECSUPYVIWVFQ-YUMQZZPRSA-N 0 0 153.225 1.313 10 0 ADAERN Nc1n[nH]c2c1cnc1sccc12 39216090 571909255 /nfs/dbraw/zinc/90/92/55/571909255.db2.gz IIYHCKOSRHKNKK-UHFFFAOYSA-N 0 0 190.231 1.755 10 0 ADAERN O[C@@H](c1ccccc1)C1OCCCO1 39207643 571909261 /nfs/dbraw/zinc/90/92/61/571909261.db2.gz WOERVSDLEZSVBH-JTQLQIEISA-N 0 0 194.230 1.483 10 0 ADAERN CC1=CCC[C@@H](CO)C1 39204248 571909267 /nfs/dbraw/zinc/90/92/67/571909267.db2.gz NPYBERWOEMVZCJ-MRVPVSSYSA-N 0 0 126.199 1.725 10 0 ADAERN CC(C)C[C@@H](C)n1cnc(CO)c1 300769682 571909282 /nfs/dbraw/zinc/90/92/82/571909282.db2.gz ZKNTWSKSXDKYJV-SECBINFHSA-N 0 0 182.267 1.983 10 0 ADAERN C[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 39205388 571910346 /nfs/dbraw/zinc/91/03/46/571910346.db2.gz AOLWVFLQJQUFMW-XVMARJQXSA-N 0 0 124.183 1.622 10 0 ADAERN OCCOc1ccc(O)c(Cl)c1 39214260 571910349 /nfs/dbraw/zinc/91/03/49/571910349.db2.gz LEBIYCWVPHMSJW-UHFFFAOYSA-N 0 0 188.610 1.417 10 0 ADAERN COCCNc1nc(C)co1 39203418 571910355 /nfs/dbraw/zinc/91/03/55/571910355.db2.gz FAKPUWHQHACLID-UHFFFAOYSA-N 0 0 156.185 1.041 10 0 ADAERN OC[C@H]1O[C@@H]1c1ccsc1 142621450 573457099 /nfs/dbraw/zinc/45/70/99/573457099.db2.gz INGWFEPJVGYKLL-RNFRBKRXSA-N 0 0 156.206 1.180 10 0 ADAERN CCn1[nH]c(=O)cc1[C@H]1CCCCO1 257814260 573457101 /nfs/dbraw/zinc/45/71/01/573457101.db2.gz CNKSDNYVUVAWDY-SECBINFHSA-N 0 0 196.250 1.850 10 0 ADAERN CCCN[C@]1(C(=O)OC)C[C@H](C)[C@@H]1C 308590976 573457112 /nfs/dbraw/zinc/45/71/12/573457112.db2.gz VJSFBVRHRIDCKS-ATZCPNFKSA-N 0 0 199.294 1.574 10 0 ADAERN c1cc(N2CCCCC2)ncn1 39233305 571912524 /nfs/dbraw/zinc/91/25/24/571912524.db2.gz YBIYFJLLJFMDFQ-UHFFFAOYSA-N 0 0 163.224 1.467 10 0 ADAERN C/C=C/C/C=C/CO 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/nfs/dbraw/zinc/94/33/62/571943362.db2.gz PWMHMQAFXCVYII-UHFFFAOYSA-N 0 0 186.299 1.259 10 0 ADAERN Cc1nc(CN[C@@H](C)C2CC2)no1 235516403 571943363 /nfs/dbraw/zinc/94/33/63/571943363.db2.gz ODCYRXFYRCXRJH-LURJTMIESA-N 0 0 181.239 1.266 10 0 ADAERN O=C([S-])CCC1=CC[NH2+]CC1 258033778 573459312 /nfs/dbraw/zinc/45/93/12/573459312.db2.gz SJUZVUAICVPKRH-UHFFFAOYSA-N 0 0 171.265 1.143 10 0 ADAERN C[C@@H](Nc1ccccc1)C(N)=S 238402695 573459319 /nfs/dbraw/zinc/45/93/19/573459319.db2.gz ITUJDGAYODPCHK-SSDOTTSWSA-N 0 0 180.276 1.773 10 0 ADAERN CC(C)C[C@@H](C)N1CC(=O)CC1=O 86475508 573459329 /nfs/dbraw/zinc/45/93/29/573459329.db2.gz GVDYSKYRKMMALV-MRVPVSSYSA-N 0 0 183.251 1.222 10 0 ADAERN Nc1ccc(N)c(-c2ncccn2)c1 142652734 573459333 /nfs/dbraw/zinc/45/93/33/573459333.db2.gz KSPJECFQKBOKGL-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN CCCc1nc(C(C)=O)[nH]c1C 258497676 573459336 /nfs/dbraw/zinc/45/93/36/573459336.db2.gz DNYBFGDQRKLKPE-UHFFFAOYSA-N 0 0 166.224 1.873 10 0 ADAERN CSC(=N)c1[nH]cnc1Cl 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0 0 172.272 1.835 10 0 ADAERN CC(C)=CCC1=CCC(=O)[C@H]1O 142600519 573459439 /nfs/dbraw/zinc/45/94/39/573459439.db2.gz WPWUOBZPIKDGCB-JTQLQIEISA-N 0 0 166.220 1.603 10 0 ADAERN C[C@@H]1CCC[C@H](N2CC(=O)CC2=O)C1 86475502 573459441 /nfs/dbraw/zinc/45/94/41/573459441.db2.gz FGFQDDZYVPWTBL-BDAKNGLRSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H]1CNC(=O)N1c1ccccc1N 257817743 573459442 /nfs/dbraw/zinc/45/94/42/573459442.db2.gz DYYDJNKPSVFOQH-SSDOTTSWSA-N 0 0 191.234 1.187 10 0 ADAERN CC[C@@H](O)[C@H]1CCCC1=O 39436786 571928869 /nfs/dbraw/zinc/92/88/69/571928869.db2.gz YOGOAULRGOSTPO-RNFRBKRXSA-N 0 0 142.198 1.127 10 0 ADAERN COc1ccccc1[C@H]1CCNO1 257817853 573459470 /nfs/dbraw/zinc/45/94/70/573459470.db2.gz DUFQMCIECYPABZ-SNVBAGLBSA-N 0 0 179.219 1.661 10 0 ADAERN CC(C)(C)CN1CCC(=O)CC1=O 86476064 573459473 /nfs/dbraw/zinc/45/94/73/573459473.db2.gz RWEPJPBSKSJPPD-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@]1(c2cccnc2)CNC(=O)O1 258383379 573459474 /nfs/dbraw/zinc/45/94/74/573459474.db2.gz 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/nfs/dbraw/zinc/94/25/69/571942569.db2.gz TUVCEMBVPLKCEN-SNVBAGLBSA-N 0 0 161.270 1.058 10 0 ADAERN CC(C)n1nccc1CCCO 300806150 571942580 /nfs/dbraw/zinc/94/25/80/571942580.db2.gz XFQFYZXQMJUDOK-UHFFFAOYSA-N 0 0 168.240 1.389 10 0 ADAERN CC(C)[S@](=O)NCC1CC1 687813042 571942836 /nfs/dbraw/zinc/94/28/36/571942836.db2.gz TUVCEMBVPLKCEN-JTQLQIEISA-N 0 0 161.270 1.058 10 0 ADAERN CC[S@](=O)N1C[C@H](C)C[C@@H](C)C1 687813490 571942839 /nfs/dbraw/zinc/94/28/39/571942839.db2.gz JGLWKYOXELMFCS-LNLATYFQSA-N 0 0 189.324 1.648 10 0 ADAERN CC(C)C[C@H](CO)CC[S@@](C)=O 400613543 571942860 /nfs/dbraw/zinc/94/28/60/571942860.db2.gz JPDIVSVTYLXTCE-BXKDBHETSA-N 0 0 192.324 1.410 10 0 ADAERN C1CC[C@H]2NN=NN2CC1 148774130 571942871 /nfs/dbraw/zinc/94/28/71/571942871.db2.gz GMWOHVCIOFJNIQ-LURJTMIESA-N 0 0 140.190 1.074 10 0 ADAERN Cc1nc(CN[C@@H](C)C2CCC2)no1 235516415 571942882 /nfs/dbraw/zinc/94/28/82/571942882.db2.gz WDAHKGQPGWTTGJ-ZETCQYMHSA-N 0 0 195.266 1.656 10 0 ADAERN Cc1ccnn1COCC(F)(F)F 235787800 571942883 /nfs/dbraw/zinc/94/28/83/571942883.db2.gz SYWHPSSCGHYESR-UHFFFAOYSA-N 0 0 194.156 1.728 10 0 ADAERN CC[S@](=O)N1CC[C@H](C)C[C@@H]1C 687813635 571942886 /nfs/dbraw/zinc/94/28/86/571942886.db2.gz QHMIIGOLNJTLSH-AUTRQRHGSA-N 0 0 189.324 1.790 10 0 ADAERN CCn1cc(C[C@H](O)C(C)(C)C)cn1 50542101 573459488 /nfs/dbraw/zinc/45/94/88/573459488.db2.gz WPRNLBZLYPIUHH-JTQLQIEISA-N 0 0 196.294 1.853 10 0 ADAERN CCC[N@H+](C)C/C=C(\C)C(=O)OC 214740479 571943244 /nfs/dbraw/zinc/94/32/44/571943244.db2.gz TZQXRSNAHVRZSH-RMKNXTFCSA-N 0 0 185.267 1.448 10 0 ADAERN CNO[C@@H]1CCCSC1 258498041 573460703 /nfs/dbraw/zinc/46/07/03/573460703.db2.gz KRKTYOKMRSVFTH-ZCFIWIBFSA-N 0 0 147.243 1.033 10 0 ADAERN O[C@H]1CC[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 32213598 571971277 /nfs/dbraw/zinc/97/12/77/571971277.db2.gz QIBGUXADVFUERT-SQQIUAQRSA-N 0 0 152.237 1.803 10 0 ADAERN O=C1N[C@@H](CF)[C@H](c2ccccc2)O1 107264758 573459495 /nfs/dbraw/zinc/45/94/95/573459495.db2.gz BJSOPAQLWKOCSL-IUCAKERBSA-N 0 0 195.193 1.806 10 0 ADAERN O=CNC(=S)CCc1ccco1 142665888 573459508 /nfs/dbraw/zinc/45/95/08/573459508.db2.gz ZCAQOMWNMFNZHP-UHFFFAOYSA-N 0 0 183.232 1.286 10 0 ADAERN C[C@@]1(c2cccc(O)c2)C[C@@H]1CO 257817882 573459509 /nfs/dbraw/zinc/45/95/09/573459509.db2.gz DUVUJEQNUBPHFC-KOLCDFICSA-N 0 0 178.231 1.662 10 0 ADAERN Cc1ccc2c(c1)O[C@@H](CCO)O2 258378494 573459512 /nfs/dbraw/zinc/45/95/12/573459512.db2.gz XPCUDGBPYVPRHQ-JTQLQIEISA-N 0 0 180.203 1.475 10 0 ADAERN COc1cc2c(CO)c[nH]c2cc1F 238402420 573459513 /nfs/dbraw/zinc/45/95/13/573459513.db2.gz QTJNQEMXTOWGMY-UHFFFAOYSA-N 0 0 195.193 1.808 10 0 ADAERN Cc1csc([C@H]2C[C@@H](F)C[NH2+]2)n1 107266864 573459526 /nfs/dbraw/zinc/45/95/26/573459526.db2.gz HAUNYMXZYSACLZ-RNFRBKRXSA-N 0 0 186.255 1.824 10 0 ADAERN CCCC[C@H](C)C(=O)c1cn(C)nn1 308591682 573459539 /nfs/dbraw/zinc/45/95/39/573459539.db2.gz VVNCCYPHLUQDSN-QMMMGPOBSA-N 0 0 195.266 1.824 10 0 ADAERN O=CN1CCC[C@H]1[C@@H]1CCCCC1=O 86498238 573460499 /nfs/dbraw/zinc/46/04/99/573460499.db2.gz IRMVCCXGDXIEON-UWVGGRQHSA-N 0 0 195.262 1.367 10 0 ADAERN OCC[C@H](F)C1CC1 257814633 573460518 /nfs/dbraw/zinc/46/05/18/573460518.db2.gz AUDLBJNIZXVDFP-LURJTMIESA-N 0 0 118.151 1.117 10 0 ADAERN Cc1ccc2c(c1)N[C@@](C)(CO)C2 258368271 573460532 /nfs/dbraw/zinc/46/05/32/573460532.db2.gz ZVANHGAYOYMINM-LLVKDONJSA-N 0 0 177.247 1.714 10 0 ADAERN CC(C)Cn1nnc(N)c1C(C)(C)C 86492755 573460545 /nfs/dbraw/zinc/46/05/45/573460545.db2.gz YNLIBTFZKCIQPR-UHFFFAOYSA-N 0 0 196.298 1.814 10 0 ADAERN C[C@@H](O)c1coc(-c2ccccn2)n1 258031714 573460546 /nfs/dbraw/zinc/46/05/46/573460546.db2.gz KAJPZAFXENIGHL-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN CSC(=O)NC(F)(F)F 238402653 573460577 /nfs/dbraw/zinc/46/05/77/573460577.db2.gz VCESFLPNBGNMSX-UHFFFAOYSA-N 0 0 159.132 1.579 10 0 ADAERN COC(=O)c1cccc(C)c1C=O 238402004 573460585 /nfs/dbraw/zinc/46/05/85/573460585.db2.gz FJSABEYYENXPBJ-UHFFFAOYSA-N 0 0 178.187 1.594 10 0 ADAERN Nc1ccc(CCCO)cc1[S-] 259458870 573460589 /nfs/dbraw/zinc/46/05/89/573460589.db2.gz LAUXPAYNRXKYPF-UHFFFAOYSA-N 0 0 183.276 1.482 10 0 ADAERN COC(=O)c1cccc(C)c1CO 238402046 573460594 /nfs/dbraw/zinc/46/05/94/573460594.db2.gz LLSRQQJWSQLFRY-UHFFFAOYSA-N 0 0 180.203 1.274 10 0 ADAERN COC[C@@H](C)[C@@](C)(O)c1cccnc1 687687289 571952829 /nfs/dbraw/zinc/95/28/29/571952829.db2.gz FJNNVEIADKVERQ-MWLCHTKSSA-N 0 0 195.262 1.572 10 0 ADAERN COC[C@H](C)[C@H](O)CC(C)(C)OC 687687417 571953489 /nfs/dbraw/zinc/95/34/89/571953489.db2.gz LCJMBCRTHXGIRP-DTWKUNHWSA-N 0 0 190.283 1.445 10 0 ADAERN CCc1cn2c(C)c(CO)sc2n1 40438841 571953494 /nfs/dbraw/zinc/95/34/94/571953494.db2.gz PZLFFOFISFDTKG-UHFFFAOYSA-N 0 0 196.275 1.759 10 0 ADAERN CC1([C@H]([NH3+])c2ccccc2)OCCO1 139613799 571953507 /nfs/dbraw/zinc/95/35/07/571953507.db2.gz CELQMIKDZNLVKO-SNVBAGLBSA-N 0 0 193.246 1.449 10 0 ADAERN C[C@@H](O)n1c(=N)sc2ccccc21 238403464 573460603 /nfs/dbraw/zinc/46/06/03/573460603.db2.gz LIFHRFKVFKLJQS-ZCFIWIBFSA-N 0 0 194.259 1.693 10 0 ADAERN OC[C@H]1CCc2cccc(O)c2O1 139614009 571954305 /nfs/dbraw/zinc/95/43/05/571954305.db2.gz CLXDMFLJZVIJRW-MRVPVSSYSA-N 0 0 180.203 1.078 10 0 ADAERN c1nc2cc3c(cc2[nH]1)OCO3 11730751 571954333 /nfs/dbraw/zinc/95/43/33/571954333.db2.gz JOOFUZFINOTQIW-UHFFFAOYSA-N 0 0 162.148 1.292 10 0 ADAERN CCC[C@@H](OCC)[C@H](O)CCOC 687689181 571961241 /nfs/dbraw/zinc/96/12/41/571961241.db2.gz NZWCMYBWJPDWEO-NXEZZACHSA-N 0 0 190.283 1.589 10 0 ADAERN CC(C)[C@@]1(C)c2[n-][nH]c(=O)c2C[N@H+]1C 107273454 573460626 /nfs/dbraw/zinc/46/06/26/573460626.db2.gz KCJYALODDYHJSG-JTQLQIEISA-N 0 0 195.266 1.020 10 0 ADAERN C[C@@H]1OC(=O)N[C@@H]1c1ccco1 238403254 573460630 /nfs/dbraw/zinc/46/06/30/573460630.db2.gz CZNBXWZODLYILN-FSPLSTOPSA-N 0 0 167.164 1.449 10 0 ADAERN CC[C@@H](O)Cc1cnn(CC)c1 50542074 573460636 /nfs/dbraw/zinc/46/06/36/573460636.db2.gz WQAWBBKKCRQDQH-SECBINFHSA-N 0 0 168.240 1.216 10 0 ADAERN [NH3+]Cc1ccc2c(C(=O)[O-])c[nH]c2c1 214592599 571961498 /nfs/dbraw/zinc/96/14/98/571961498.db2.gz WYJKDWSNUMHSCR-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN CCn1ncnc1[C@H](O)[C@@H](C)C1CC1 388662941 571961500 /nfs/dbraw/zinc/96/15/00/571961500.db2.gz ASJJOXIRJRZHMU-IONNQARKSA-N 0 0 195.266 1.378 10 0 ADAERN COCC[C@@H](O)c1ccoc1C 687689505 571961502 /nfs/dbraw/zinc/96/15/02/571961502.db2.gz PZSMHSGLCYTXGP-SECBINFHSA-N 0 0 170.208 1.658 10 0 ADAERN COCC[C@H](O)CCOCC(F)F 687689212 571961513 /nfs/dbraw/zinc/96/15/13/571961513.db2.gz QHZFLADJCUILGF-ZETCQYMHSA-N 0 0 198.209 1.056 10 0 ADAERN C[C@H](O)[C@@H](O)CCOc1ccccc1 687688888 571961514 /nfs/dbraw/zinc/96/15/14/571961514.db2.gz QYUJTTMGSMNIDV-ONGXEEELSA-N 0 0 196.246 1.197 10 0 ADAERN Cc1cc(-c2ccc(N)cc2)nn1C 32007987 571961527 /nfs/dbraw/zinc/96/15/27/571961527.db2.gz ISZFPTXXTBBCPA-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC(=O)c1ccc2c(c1)NC(=O)NC2 214595064 571961529 /nfs/dbraw/zinc/96/15/29/571961529.db2.gz RQEKUCHTAXMRAQ-UHFFFAOYSA-N 0 0 190.202 1.524 10 0 ADAERN COCC[C@@H](O)[C@H]1CCCS1 687689484 571961536 /nfs/dbraw/zinc/96/15/36/571961536.db2.gz PNXNIOHHQQFTTM-HTQZYQBOSA-N 0 0 176.281 1.279 10 0 ADAERN CCO[C@@H](C1CC1)[C@H](O)C(F)F 687689114 571961538 /nfs/dbraw/zinc/96/15/38/571961538.db2.gz JKRMQLLYOBYBIR-BQBZGAKWSA-N 0 0 180.194 1.428 10 0 ADAERN c1nscc1O[C@@H]1CCCO1 258373269 573460643 /nfs/dbraw/zinc/46/06/43/573460643.db2.gz GWUZWRFHIUXOIH-SSDOTTSWSA-N 0 0 171.221 1.658 10 0 ADAERN COCC[C@@H](O)c1ccc(F)cn1 687689368 571961545 /nfs/dbraw/zinc/96/15/45/571961545.db2.gz GDEGKJDVVYZUCR-SECBINFHSA-N 0 0 185.198 1.291 10 0 ADAERN C[NH2+][C@H]1CCc2ccc(C(=O)[O-])cc21 113931207 571961552 /nfs/dbraw/zinc/96/15/52/571961552.db2.gz MNTYCLPWKYDURQ-JTQLQIEISA-N 0 0 191.230 1.592 10 0 ADAERN COCCC1=C[C@H](O)C[C@@H](C)C1 687689067 571961557 /nfs/dbraw/zinc/96/15/57/571961557.db2.gz GBECNEUXZWKCEF-WCBMZHEXSA-N 0 0 170.252 1.740 10 0 ADAERN COCC[C@]1(C)CC[C@@H](O)C1 687689290 571961560 /nfs/dbraw/zinc/96/15/60/571961560.db2.gz XQJONHDGDDIGQA-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN COCC[C@@H](O)C(C1CC1)C1CC1 687689397 571961565 /nfs/dbraw/zinc/96/15/65/571961565.db2.gz KKJPACBDXILGGV-SNVBAGLBSA-N 0 0 184.279 1.820 10 0 ADAERN COCC[C@@H](O)[C@H](OC)C(C)(C)C 687689087 571961585 /nfs/dbraw/zinc/96/15/85/571961585.db2.gz HKOJENUYDVHCRU-BDAKNGLRSA-N 0 0 190.283 1.445 10 0 ADAERN Cc1ccc2c(c1)N[C@H](CO)CO2 40762332 571961595 /nfs/dbraw/zinc/96/15/95/571961595.db2.gz VWGGBIZDILFIQG-MRVPVSSYSA-N 0 0 179.219 1.160 10 0 ADAERN C[C@@H]1CCN(C(=O)c2cc(N)c[nH]2)C1 40716658 571961600 /nfs/dbraw/zinc/96/16/00/571961600.db2.gz QZMRNYZIEPWZBB-SSDOTTSWSA-N 0 0 193.250 1.079 10 0 ADAERN O[C@H](COCC(F)(F)F)C(F)F 687688570 571961601 /nfs/dbraw/zinc/96/16/01/571961601.db2.gz YDBGBRLXBARHME-GSVOUGTGSA-N 0 0 194.099 1.191 10 0 ADAERN Cn1ncc(CC2CCC(=O)CC2)n1 687688835 571961603 /nfs/dbraw/zinc/96/16/03/571961603.db2.gz KODXMDIRWRRYEX-UHFFFAOYSA-N 0 0 193.250 1.117 10 0 ADAERN CCC(O)=C(C)C(=O)C1CCC1 238222596 573460650 /nfs/dbraw/zinc/46/06/50/573460650.db2.gz HWGUHHFHYYFLPA-SSDOTTSWSA-N 0 0 168.236 1.971 10 0 ADAERN OCCCc1cc(CF)ccc1O 258033607 573460651 /nfs/dbraw/zinc/46/06/51/573460651.db2.gz JFJAONAKUGIAEK-UHFFFAOYSA-N 0 0 184.210 1.787 10 0 ADAERN O=c1ccsn1-c1ccccn1 40951388 571962918 /nfs/dbraw/zinc/96/29/18/571962918.db2.gz LDQGZDZYAMGIRK-UHFFFAOYSA-N 0 0 178.216 1.294 10 0 ADAERN CCc1c(N)c(=O)n([C@H](C)CC)n1C 40931443 571964055 /nfs/dbraw/zinc/96/40/55/571964055.db2.gz HSKWUCBEOSSHPD-SSDOTTSWSA-N 0 0 197.282 1.302 10 0 ADAERN CO[C@@H]1CCCC[C@]1(OC)C(C)=O 687690726 571964063 /nfs/dbraw/zinc/96/40/63/571964063.db2.gz NZYYWMKSHYIFHI-ZJUUUORDSA-N 0 0 186.251 1.550 10 0 ADAERN COCC[C@H](O)c1cccc(N)c1 687689541 571964065 /nfs/dbraw/zinc/96/40/65/571964065.db2.gz SVZRUPXXKMHUEB-JTQLQIEISA-N 0 0 181.235 1.339 10 0 ADAERN CCO[C@]1(C(C)=O)CCOC[C@H]1C 687690701 571964071 /nfs/dbraw/zinc/96/40/71/571964071.db2.gz NCAIDOCNFWCERD-PSASIEDQSA-N 0 0 186.251 1.407 10 0 ADAERN O=C1CSC(c2cccs2)=N1 32135198 571964073 /nfs/dbraw/zinc/96/40/73/571964073.db2.gz QCIBGHUKPFWLEK-UHFFFAOYSA-N 0 0 183.257 1.768 10 0 ADAERN CC(C)OC(C)(C)C(=O)NC1CCC1 687762280 571964087 /nfs/dbraw/zinc/96/40/87/571964087.db2.gz XKPZOGKKGZRTCY-UHFFFAOYSA-N 0 0 199.294 1.859 10 0 ADAERN O=C1CC[C@@]2(CCCCC2=O)C1 32135830 571964090 /nfs/dbraw/zinc/96/40/90/571964090.db2.gz JYNDRSRXMZMQBA-JTQLQIEISA-N 0 0 166.220 1.869 10 0 ADAERN CO[C@@](C)(C(C)=O)C1(C)CC1 687690528 571964099 /nfs/dbraw/zinc/96/40/99/571964099.db2.gz KYYUYIUTKSQMMN-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN C[N@@H+]1CC[C@H](Nc2ccc(F)nc2)C1 234324604 571964103 /nfs/dbraw/zinc/96/41/03/571964103.db2.gz KLZNNGDZGSIJDE-VIFPVBQESA-N 0 0 195.241 1.337 10 0 ADAERN COCC[C@H](O)C1(C)CC1 687689668 571964124 /nfs/dbraw/zinc/96/41/24/571964124.db2.gz LQUJPWNSPZXLTN-ZETCQYMHSA-N 0 0 144.214 1.184 10 0 ADAERN CSC(=O)CC[C@H](C)O 238402315 573460666 /nfs/dbraw/zinc/46/06/66/573460666.db2.gz GTOIOZURNHSXEU-YFKPBYRVSA-N 0 0 148.227 1.037 10 0 ADAERN COC(=O)[C@H](C)c1ccnc(C)n1 259612236 573460680 /nfs/dbraw/zinc/46/06/80/573460680.db2.gz DYKMAPFCPPBVSH-ZCFIWIBFSA-N 0 0 180.207 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ADAERN C[C@@H](O)SCC(F)(F)F 238405460 573465246 /nfs/dbraw/zinc/46/52/46/573465246.db2.gz JIEYJEPZRURHRE-VKHMYHEASA-N 0 0 160.160 1.620 10 0 ADAERN OCc1cc([C@@H]2CCCSC2)on1 258395204 573465247 /nfs/dbraw/zinc/46/52/47/573465247.db2.gz BNNWLOYRFPRWOT-SSDOTTSWSA-N 0 0 199.275 1.778 10 0 ADAERN O=Cc1cc(C[C@@H]2CCCS2)[nH]n1 258395173 573465253 /nfs/dbraw/zinc/46/52/53/573465253.db2.gz BLYNCTZWMVZKEG-VIFPVBQESA-N 0 0 196.275 1.660 10 0 ADAERN Cc1cc(O)cc(CNO)c1F 258035068 573465254 /nfs/dbraw/zinc/46/52/54/573465254.db2.gz PNPGOEKSYIZUKN-UHFFFAOYSA-N 0 0 171.171 1.319 10 0 ADAERN O=[S@@]1CCc2ccccc21 32299613 571976085 /nfs/dbraw/zinc/97/60/85/571976085.db2.gz SEVVNKCOTVRNNP-JTQLQIEISA-N 0 0 152.218 1.350 10 0 ADAERN Cc1ccc([C@@H]2CC(C[NH3+])=NN2)cc1 41141612 571976088 /nfs/dbraw/zinc/97/60/88/571976088.db2.gz IZTNYVYWQQSKBN-NSHDSACASA-N 0 0 189.262 1.344 10 0 ADAERN CO[C@H]1CC[C@H](NCC(F)F)C1 234845881 571976094 /nfs/dbraw/zinc/97/60/94/571976094.db2.gz TYBRSXBOVSCECS-BQBZGAKWSA-N 0 0 179.210 1.409 10 0 ADAERN Cc1cc([C@@H](C)O)oc1C 32298915 571976096 /nfs/dbraw/zinc/97/60/96/571976096.db2.gz YEJXQRROWGZSEB-ZCFIWIBFSA-N 0 0 140.182 1.950 10 0 ADAERN CC(=O)CCCS[C@H](C)[C@H](C)O 235541696 571976099 /nfs/dbraw/zinc/97/60/99/571976099.db2.gz YIUMRCWDJKJPET-DTWKUNHWSA-N 0 0 190.308 1.858 10 0 ADAERN COC(=O)c1ccc2c(c1)N[C@H](C)C2 238404658 573465255 /nfs/dbraw/zinc/46/52/55/573465255.db2.gz NZQVXROUUHSEBQ-SSDOTTSWSA-N 0 0 191.230 1.830 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2ccccc2N1 83388893 573472050 /nfs/dbraw/zinc/47/20/50/573472050.db2.gz LXNDJODJCSVULK-XCBNKYQSSA-N 0 0 163.220 1.404 10 0 ADAERN CC1=C(C)[C@H](C)C(=O)N1 39095456 571984885 /nfs/dbraw/zinc/98/48/85/571984885.db2.gz AYRODXBPMAZJBG-YFKPBYRVSA-N 0 0 125.171 1.046 10 0 ADAERN Nc1ccc(F)cc1[C@@H](O)CCCO 257816080 573467027 /nfs/dbraw/zinc/46/70/27/573467027.db2.gz BVALTNBIVUDFEQ-JTQLQIEISA-N 0 0 199.225 1.214 10 0 ADAERN CC(=O)[C@H]1COc2cccc(O)c21 258036821 573467040 /nfs/dbraw/zinc/46/70/40/573467040.db2.gz KKLOFOKXXVPQLR-SSDOTTSWSA-N 0 0 178.187 1.457 10 0 ADAERN COC(=O)C(C)(C)c1cc(C)n[nH]1 259461401 573467050 /nfs/dbraw/zinc/46/70/50/573467050.db2.gz ACUQCDASCSGYPJ-UHFFFAOYSA-N 0 0 182.223 1.169 10 0 ADAERN C[C@H]1CNc2c(O)cccc2N1C 258400690 573467064 /nfs/dbraw/zinc/46/70/64/573467064.db2.gz CDQYYPXLJJJJKZ-ZETCQYMHSA-N 0 0 178.235 1.642 10 0 ADAERN O=C([O-])c1cnoc1[C@@H]1CCCC[NH2+]1 258390104 573467088 /nfs/dbraw/zinc/46/70/88/573467088.db2.gz BBDSQJWFFYYDAW-ZETCQYMHSA-N 0 0 196.206 1.187 10 0 ADAERN COC[C@]1(O)CCC[C@@H](C2CC2)C1 86520407 573471788 /nfs/dbraw/zinc/47/17/88/573471788.db2.gz STBDSTQJENBWGI-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN COc1cc(C)ccc1[C@@H]([NH3+])C(=O)[O-] 75068153 573471794 /nfs/dbraw/zinc/47/17/94/573471794.db2.gz FAUSJSRFLFWPIU-SECBINFHSA-N 0 0 195.218 1.088 10 0 ADAERN Cc1c([C@H]2CCCC[NH2+]2)[n-]n(C)c1=O 107284572 573471808 /nfs/dbraw/zinc/47/18/08/573471808.db2.gz FJPSCTKFLNLZAY-MRVPVSSYSA-N 0 0 195.266 1.249 10 0 ADAERN CC(C)OC[C@H](O)C1CCC1 86523017 573471811 /nfs/dbraw/zinc/47/18/11/573471811.db2.gz UDKFPOCJTSVKBP-VIFPVBQESA-N 0 0 158.241 1.572 10 0 ADAERN CONCc1ccc(F)c(C)c1 75067639 573471828 /nfs/dbraw/zinc/47/18/28/573471828.db2.gz WIVNOFPTDUVVBU-UHFFFAOYSA-N 0 0 169.199 1.785 10 0 ADAERN COC(=O)[C@]1(NC(C)C)C[C@@H](C)[C@H]1C 308584260 573471835 /nfs/dbraw/zinc/47/18/35/573471835.db2.gz QXVRQZZZDPMMQY-KKZNHRDASA-N 0 0 199.294 1.572 10 0 ADAERN COCCCC[C@@H](O)c1ccncc1 308584474 573471868 /nfs/dbraw/zinc/47/18/68/573471868.db2.gz LJHDLOHWXQKKHP-LLVKDONJSA-N 0 0 195.262 1.932 10 0 ADAERN CCOC(=O)C=Cc1ccc[nH]c1=O 308391890 573471895 /nfs/dbraw/zinc/47/18/95/573471895.db2.gz KLWOLCFYDAUYSY-AATRIKPKSA-N 0 0 193.202 1.364 10 0 ADAERN COC[C@](C)(O)c1sccc1C 86520001 573471928 /nfs/dbraw/zinc/47/19/28/573471928.db2.gz IBUVVCBTLFUBIK-VIFPVBQESA-N 0 0 186.276 1.910 10 0 ADAERN CC(C)OC[C@@]1(O)CC[C@@H](C)C1 86520325 573471942 /nfs/dbraw/zinc/47/19/42/573471942.db2.gz WUVGXLYCUMAAJK-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN O[C@H](C1CC1)[C@H]1Cc2ccccc2N1 83388872 573471944 /nfs/dbraw/zinc/47/19/44/573471944.db2.gz BXTNHFDPRMFVAR-VXGBXAGGSA-N 0 0 189.258 1.794 10 0 ADAERN Cn1cc(CO)c2c(N)cccc21 258663745 573471945 /nfs/dbraw/zinc/47/19/45/573471945.db2.gz MFLRJRNDEAWMAE-UHFFFAOYSA-N 0 0 176.219 1.253 10 0 ADAERN CCN1Cc2coc(C(=O)OC)c2C1 259462547 573471953 /nfs/dbraw/zinc/47/19/53/573471953.db2.gz PFOAWBXWZSKBNF-UHFFFAOYSA-N 0 0 195.218 1.402 10 0 ADAERN CCOC[C@@]1(O)CCC[C@H]1C 86520683 573471964 /nfs/dbraw/zinc/47/19/64/573471964.db2.gz PCUNBGXYXPNOIR-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)OC[C@@]1(O)CCO[C@H](C)C1 86520036 573471970 /nfs/dbraw/zinc/47/19/70/573471970.db2.gz HKXFYEMEOOFSOR-NXEZZACHSA-N 0 0 188.267 1.341 10 0 ADAERN CC(=O)[C@H](C)c1[nH][nH]c(=O)c1C 107284347 573471988 /nfs/dbraw/zinc/47/19/88/573471988.db2.gz MADLYTNKWMDQMR-BYPYZUCNSA-N 0 0 168.196 1.116 10 0 ADAERN CCn1cc(CC[C@H](O)C(C)C)cn1 50543703 573471989 /nfs/dbraw/zinc/47/19/89/573471989.db2.gz WPARJHMPCPSOHV-NSHDSACASA-N 0 0 196.294 1.853 10 0 ADAERN CCCC[C@H](CCCOCC)NN 130124980 573471992 /nfs/dbraw/zinc/47/19/92/573471992.db2.gz RBPZQENAMAHXSJ-SNVBAGLBSA-N 0 0 188.315 1.825 10 0 ADAERN CC[C@H](C)C[C@H](O)C(C)(C)O 233993121 571977948 /nfs/dbraw/zinc/97/79/48/571977948.db2.gz AIUFNYUPFKMRMY-YUMQZZPRSA-N 0 0 160.257 1.554 10 0 ADAERN O[C@H]1CCN2C1=NCc1ccccc12 139895497 571977950 /nfs/dbraw/zinc/97/79/50/571977950.db2.gz POSXQEBFOBLJJA-JTQLQIEISA-N 0 0 188.230 1.170 10 0 ADAERN CC[C@H](O)[C@H](C)C[C@@H](O)C(C)C 300836927 571977995 /nfs/dbraw/zinc/97/79/95/571977995.db2.gz DNBXKBVSPFBPGT-KXUCPTDWSA-N 0 0 174.284 1.800 10 0 ADAERN CONCc1cccc2c1OCO2 75067762 573472001 /nfs/dbraw/zinc/47/20/01/573472001.db2.gz MYXMPXUVOOUTKA-UHFFFAOYSA-N 0 0 181.191 1.066 10 0 ADAERN COCC(=O)c1ccc(Cl)cc1N 86521716 573472003 /nfs/dbraw/zinc/47/20/03/573472003.db2.gz MXZJAZZQSWRHMT-UHFFFAOYSA-N 0 0 199.637 1.751 10 0 ADAERN CCn1nncc1[C@@](O)(CC)C1CC1 300834920 571978048 /nfs/dbraw/zinc/97/80/48/571978048.db2.gz IYBNKVIYGXNWFX-SNVBAGLBSA-N 0 0 195.266 1.306 10 0 ADAERN CNc1nc(C)c(C(=O)N(C)C)s1 196427611 571978064 /nfs/dbraw/zinc/97/80/64/571978064.db2.gz MQCPOZCWJHOARK-UHFFFAOYSA-N 0 0 199.279 1.195 10 0 ADAERN C[C@@H](OCC1CCCCCC1)C(N)=O 300838492 571978071 /nfs/dbraw/zinc/97/80/71/571978071.db2.gz DTJXERCLOHMSOH-SECBINFHSA-N 0 0 199.294 1.847 10 0 ADAERN CC(C)[C@H](C)CNC(=O)n1ccnc1 81107546 571978073 /nfs/dbraw/zinc/97/80/73/571978073.db2.gz ODDBVPSXSXIMHK-SECBINFHSA-N 0 0 195.266 1.733 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H](O)C1CC1 233992986 571978074 /nfs/dbraw/zinc/97/80/74/571978074.db2.gz LUKDKAUMSBEIPA-ZQARSLAVSA-N 0 0 158.241 1.164 10 0 ADAERN CC[C@H](O)[C@@H](C)C[C@@H](O)C(C)C 300836928 571978077 /nfs/dbraw/zinc/97/80/77/571978077.db2.gz DNBXKBVSPFBPGT-LPEHRKFASA-N 0 0 174.284 1.800 10 0 ADAERN COCC(=O)N[C@H]1CCC12CCCC2 336515319 571978086 /nfs/dbraw/zinc/97/80/86/571978086.db2.gz HBOBPSDSDROTAB-VIFPVBQESA-N 0 0 197.278 1.472 10 0 ADAERN CCOCC(=O)[C@@H](O)c1ccccc1 233993098 571978116 /nfs/dbraw/zinc/97/81/16/571978116.db2.gz JAVOJYDRJRZIHY-NSHDSACASA-N 0 0 194.230 1.326 10 0 ADAERN Cc1nc2c(=S)n(C)ncc2[nH]1 13218888 571978122 /nfs/dbraw/zinc/97/81/22/571978122.db2.gz FEXJGPGUZUNNHR-UHFFFAOYSA-N 0 0 180.236 1.334 10 0 ADAERN CC[C@@]1(O)CCC[C@H](OC)C1 233992629 571978124 /nfs/dbraw/zinc/97/81/24/571978124.db2.gz TUEFFQUTRNSQNH-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN CCCC(O)([C@H](O)CC)[C@H](O)CC 113480411 571978127 /nfs/dbraw/zinc/97/81/27/571978127.db2.gz FMYBGKLXXBSJKK-RKDXNWHRSA-N 0 0 190.283 1.059 10 0 ADAERN CC(C)[C@@H](C)CN1C[C@@H](CO)CC1=O 81121568 571978164 /nfs/dbraw/zinc/97/81/64/571978164.db2.gz DHOAKIPMOUBJGE-UWVGGRQHSA-N 0 0 199.294 1.119 10 0 ADAERN C[C@H](CO)Oc1cccc(F)c1 41168296 571978168 /nfs/dbraw/zinc/97/81/68/571978168.db2.gz RYUNGGVXALWGES-SSDOTTSWSA-N 0 0 170.183 1.585 10 0 ADAERN CCC(CC)COc1nc(CO)co1 300831187 571978169 /nfs/dbraw/zinc/97/81/69/571978169.db2.gz HSIRPVPRYOHRLP-UHFFFAOYSA-N 0 0 199.250 1.982 10 0 ADAERN Cc1cc(C)c(N(C)N)c(C)c1 41167877 571978191 /nfs/dbraw/zinc/97/81/91/571978191.db2.gz SXNFDLJOEVNVBA-UHFFFAOYSA-N 0 0 164.252 1.922 10 0 ADAERN CCn1cc(C[C@@H](C)[C@@H](C)O)cn1 50543717 573472008 /nfs/dbraw/zinc/47/20/08/573472008.db2.gz VUPJYNQRJBJANG-RKDXNWHRSA-N 0 0 182.267 1.462 10 0 ADAERN COC(=O)C[C@@H]1CCc2ncn(C)c21 259462850 573472028 /nfs/dbraw/zinc/47/20/28/573472028.db2.gz AIQNCSCDBGMDOD-ZETCQYMHSA-N 0 0 194.234 1.013 10 0 ADAERN COC(=O)CCc1c(C)ccn1C 259462821 573472042 /nfs/dbraw/zinc/47/20/42/573472042.db2.gz AIEKKLXVZMNWAQ-UHFFFAOYSA-N 0 0 181.235 1.439 10 0 ADAERN COc1cc(CON)ccc1Cl 238410136 573472048 /nfs/dbraw/zinc/47/20/48/573472048.db2.gz QXQMTASCMJXADP-UHFFFAOYSA-N 0 0 187.626 1.739 10 0 ADAERN CCC[C@@H](OC)c1ncc(C)c(N)n1 300876825 571997536 /nfs/dbraw/zinc/99/75/36/571997536.db2.gz FNKPIOBMNCMSRI-MRVPVSSYSA-N 0 0 195.266 1.855 10 0 ADAERN CCO[C@H]1CC(=S)N(C)C1 39124499 571997547 /nfs/dbraw/zinc/99/75/47/571997547.db2.gz SMHDXFAWQBZDNC-LURJTMIESA-N 0 0 159.254 1.054 10 0 ADAERN C[C@H]1C[C@@](O)(Cc2cccs2)CO1 401878723 571997549 /nfs/dbraw/zinc/99/75/49/571997549.db2.gz LMVWZMUAGMDDOK-WCBMZHEXSA-N 0 0 198.287 1.831 10 0 ADAERN CCc1cc(N)c2ncccc2n1 39117936 571997554 /nfs/dbraw/zinc/99/75/54/571997554.db2.gz MWSQHFJCDLNUET-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN CNCc1nnc(N[C@@H](C)C(C)C)o1 234387074 571997562 /nfs/dbraw/zinc/99/75/62/571997562.db2.gz XTGDLMNAHCHFBC-ZETCQYMHSA-N 0 0 198.270 1.245 10 0 ADAERN CC(=O)[C@H]1O[C@H]1C(C)(C)C 207042797 571997573 /nfs/dbraw/zinc/99/75/73/571997573.db2.gz JFVWBPAYNCQKHP-RNFRBKRXSA-N 0 0 142.198 1.389 10 0 ADAERN C1CC2(C1)CC[C@]21CCNN1 39133974 571997583 /nfs/dbraw/zinc/99/75/83/571997583.db2.gz QHZQHUYMLNVCOI-VIFPVBQESA-N 0 0 152.241 1.187 10 0 ADAERN OCC1=CCC[C@@H](c2c[nH]cn2)C1 39132978 571997587 /nfs/dbraw/zinc/99/75/87/571997587.db2.gz MBNZTWGBJDFZPF-SECBINFHSA-N 0 0 178.235 1.596 10 0 ADAERN COC[C@H](C)Oc1ccc(C)c(N)c1 300874547 571997601 /nfs/dbraw/zinc/99/76/01/571997601.db2.gz LMIXWTYYXOOHOK-VIFPVBQESA-N 0 0 195.262 1.991 10 0 ADAERN OC[C@H](O)/C=C/c1ccccc1F 207049044 571997609 /nfs/dbraw/zinc/99/76/09/571997609.db2.gz VRRUOHRBJYWZEP-VUHVRTRXSA-N 0 0 182.194 1.192 10 0 ADAERN CCOC[C@@H]1CCC(=O)[C@H]1C 86528345 573477700 /nfs/dbraw/zinc/47/77/00/573477700.db2.gz LWHBLQOZDJDKEA-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN CNc1[nH]c(C)c(Cc2ccco2)[nH+]1 258668159 573477705 /nfs/dbraw/zinc/47/77/05/573477705.db2.gz FHKOFKWDIBVBNL-UHFFFAOYSA-N 0 0 191.234 1.944 10 0 ADAERN Clc1ccc([C@H]2COCCN2)cn1 75087540 573477710 /nfs/dbraw/zinc/47/77/10/573477710.db2.gz SGEIWPMYUJVWOF-MRVPVSSYSA-N 0 0 198.653 1.396 10 0 ADAERN COc1cc2c(cc1CNO)CCC2 258045268 573477714 /nfs/dbraw/zinc/47/77/14/573477714.db2.gz KEYLZVZJXDLGCY-UHFFFAOYSA-N 0 0 193.246 1.663 10 0 ADAERN C[C@@H](Cc1ccccc1O)NO 238413981 573477715 /nfs/dbraw/zinc/47/77/15/573477715.db2.gz WQTFDFNMMRRGEA-ZETCQYMHSA-N 0 0 167.208 1.302 10 0 ADAERN CC(C)OC[C@@H]1CC[C@@H](O)C1 86529279 573477720 /nfs/dbraw/zinc/47/77/20/573477720.db2.gz FGUHVHIBNUGNJS-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN CCc1ccc(CNOC)s1 75085553 573477742 /nfs/dbraw/zinc/47/77/42/573477742.db2.gz XZJUTYQZYOHHOV-UHFFFAOYSA-N 0 0 171.265 1.962 10 0 ADAERN CCCOC[C@@H]1CC[C@@H](O)C1 86529271 573477743 /nfs/dbraw/zinc/47/77/43/573477743.db2.gz JNOWOSUVQBIHCH-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN COc1cc([C@@H](C)O)cccc1=O 238413827 573477751 /nfs/dbraw/zinc/47/77/51/573477751.db2.gz LDZMBCUCLAKPSM-SSDOTTSWSA-N 0 0 180.203 1.109 10 0 ADAERN CCCCC[C@H](O)[C@@H]1COC(=O)N1 238238658 573477754 /nfs/dbraw/zinc/47/77/54/573477754.db2.gz KZLGQDPRPDXDOE-YUMQZZPRSA-N 0 0 187.239 1.036 10 0 ADAERN C[C@H]1CCC[C@]1(O)c1cnccn1 83395432 573477755 /nfs/dbraw/zinc/47/77/55/573477755.db2.gz XBXYRWKMUJHRDH-WCBMZHEXSA-N 0 0 178.235 1.484 10 0 ADAERN CCO[C@@H](C)CNc1cncc(C)n1 308585637 573477756 /nfs/dbraw/zinc/47/77/56/573477756.db2.gz IGBUULLSEUDGNK-VIFPVBQESA-N 0 0 195.266 1.622 10 0 ADAERN COC[C@H]1CCC[C@H](O)C1 86529300 573477785 /nfs/dbraw/zinc/47/77/85/573477785.db2.gz BNKUZBBUZGFLMX-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CCCC[N@@H+]1CC[C@@](C)(CC(=O)[O-])C1 259469045 573477787 /nfs/dbraw/zinc/47/77/87/573477787.db2.gz QQKQEJPGCKZHOZ-NSHDSACASA-N 0 0 199.294 1.973 10 0 ADAERN Cn1c(C2CCCC2)cc(N)cc1=O 257818288 573477790 /nfs/dbraw/zinc/47/77/90/573477790.db2.gz FBCWDFPHERYNKL-UHFFFAOYSA-N 0 0 192.262 1.625 10 0 ADAERN CCOCc1cc(C)cnc1N 86528158 573477803 /nfs/dbraw/zinc/47/78/03/573477803.db2.gz AJDQGKUPCXXKQC-UHFFFAOYSA-N 0 0 166.224 1.509 10 0 ADAERN CCC[C@@](O)(c1cnn(C)n1)C1CC1 308594563 573477804 /nfs/dbraw/zinc/47/78/04/573477804.db2.gz XQYALDMIAPTTSW-JTQLQIEISA-N 0 0 195.266 1.213 10 0 ADAERN COc1cc(CON)cc2[nH]ccc12 258045164 573477811 /nfs/dbraw/zinc/47/78/11/573477811.db2.gz KCKJNAKYNLWVNR-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@H]1C 83393583 573477819 /nfs/dbraw/zinc/47/78/19/573477819.db2.gz NGUAZJJJLQFYAT-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN FC(F)(F)[C@H]1CCNCC1(F)F 257818071 573477834 /nfs/dbraw/zinc/47/78/34/573477834.db2.gz CNXFKNDRHQKZPA-BYPYZUCNSA-N 0 0 189.127 1.794 10 0 ADAERN COC[C@@H]1CCCC[C@H](O)C1 86529335 573477841 /nfs/dbraw/zinc/47/78/41/573477841.db2.gz UHGPRKKEAALWPD-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H]1C 83393577 573477847 /nfs/dbraw/zinc/47/78/47/573477847.db2.gz NGUAZJJJLQFYAT-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN CCOC[C@@H]1CC[C@H](O)C1 86529260 573477848 /nfs/dbraw/zinc/47/78/48/573477848.db2.gz ORNWBXSAUXKSGZ-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN CCOC[C@@H]1CCCC(=O)C1 86528212 573477854 /nfs/dbraw/zinc/47/78/54/573477854.db2.gz GQTLPBBRCLIWBD-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN CCCCC(O)=C1CCOC1=O 114045611 571988519 /nfs/dbraw/zinc/98/85/19/571988519.db2.gz VHRACVOWDZVZIQ-SSDOTTSWSA-N 0 0 170.208 1.309 10 0 ADAERN CCOC(=O)/C=C\CC(C)(C)O 214656487 571988542 /nfs/dbraw/zinc/98/85/42/571988542.db2.gz IJEMMXCXMHYOHY-WAYWQWQTSA-N 0 0 172.224 1.267 10 0 ADAERN Cc1cccc(C)c1NC[C@@H](O)CO 41571732 571988561 /nfs/dbraw/zinc/98/85/61/571988561.db2.gz YBRAHHMMYREAMG-SNVBAGLBSA-N 0 0 195.262 1.069 10 0 ADAERN CCC(=O)C[C@@H](O)CC 13542920 571988565 /nfs/dbraw/zinc/98/85/65/571988565.db2.gz NMINIWNPJHHYFW-LURJTMIESA-N 0 0 130.187 1.127 10 0 ADAERN CCc1[nH]c(=O)nc2c1CCCC2 196172921 571988573 /nfs/dbraw/zinc/98/85/73/571988573.db2.gz SBBFXEBVJMCJGX-UHFFFAOYSA-N 0 0 178.235 1.211 10 0 ADAERN CCC/C=C(\CCC)C(N)=O 114057838 571988596 /nfs/dbraw/zinc/98/85/96/571988596.db2.gz MILBBIXNGNKAOJ-BQYQJAHWSA-N 0 0 155.241 1.998 10 0 ADAERN CCSC(=O)C[C@H](C)O 13547813 571988612 /nfs/dbraw/zinc/98/86/12/571988612.db2.gz KMUGAUMHBACBQU-YFKPBYRVSA-N 0 0 148.227 1.037 10 0 ADAERN CC[C@@H](C)C[C@](C)([NH3+])C(=O)[O-] 17505630 571988618 /nfs/dbraw/zinc/98/86/18/571988618.db2.gz YWAJMILGBXVJTJ-SVRRBLITSA-N 0 0 159.229 1.225 10 0 in-vitro ADAERN CCn1nncc1C(C)(C)C[C@@H](C)O 300857297 571988630 /nfs/dbraw/zinc/98/86/30/571988630.db2.gz LSXNLMJBGMBVOH-MRVPVSSYSA-N 0 0 197.282 1.347 10 0 ADAERN Nc1cnnc(C[C@H]2CCSC2)c1 259468801 573477867 /nfs/dbraw/zinc/47/78/67/573477867.db2.gz OAGFTNHMUMWIDM-SSDOTTSWSA-N 0 0 195.291 1.354 10 0 ADAERN CCOCc1cc(Cl)cnc1N 86528167 573477868 /nfs/dbraw/zinc/47/78/68/573477868.db2.gz JGYVHWMIJWDRKD-UHFFFAOYSA-N 0 0 186.642 1.854 10 0 ADAERN C[C@@H]1CC(=O)Oc2cccc(O)c21 238413565 573477869 /nfs/dbraw/zinc/47/78/69/573477869.db2.gz MTRSHPDJVWMMPZ-ZCFIWIBFSA-N 0 0 178.187 1.805 10 0 ADAERN Cc1cc2cc(F)ccc2n1N 139924218 571989148 /nfs/dbraw/zinc/98/91/48/571989148.db2.gz RQZGVDLKNLKQDQ-UHFFFAOYSA-N 0 0 164.183 1.803 10 0 ADAERN CC[C@@](C)(OC)C(=O)Nc1ncc[nH]1 234006226 571989155 /nfs/dbraw/zinc/98/91/55/571989155.db2.gz YBVKLQDFZSIFEQ-SECBINFHSA-N 0 0 197.238 1.163 10 0 ADAERN CCOCCC[C@H](NN)[C@H]1C[C@@H]1C 689432922 571989169 /nfs/dbraw/zinc/98/91/69/571989169.db2.gz YQJXVNYIFVXJMV-GUBZILKMSA-N 0 0 186.299 1.291 10 0 ADAERN CC1(C)C[C@]1(C)CO 196170781 571989184 /nfs/dbraw/zinc/98/91/84/571989184.db2.gz MTMSHFLYHMLPTP-SSDOTTSWSA-N 0 0 114.188 1.415 10 0 ADAERN Cc1cc2c(c(CO)c1O)CCC2 139918014 571989203 /nfs/dbraw/zinc/98/92/03/571989203.db2.gz NDLLETIJSHABET-UHFFFAOYSA-N 0 0 178.231 1.682 10 0 ADAERN C[C@H]([NH2+]/C=C\c1ccccc1)C(=O)[O-] 114030071 571989204 /nfs/dbraw/zinc/98/92/04/571989204.db2.gz RCESYKVVJOWLEC-FUOZMLNRSA-N 0 0 191.230 1.720 10 0 ADAERN CC1(C)CC[C@@H](O)C(C)(C)O1 196174757 571989223 /nfs/dbraw/zinc/98/92/23/571989223.db2.gz BAYVVPKSFMXVSU-SSDOTTSWSA-N 0 0 158.241 1.715 10 0 ADAERN Cc1ccsc1CN(O)C(N)=O 13762890 571989245 /nfs/dbraw/zinc/98/92/45/571989245.db2.gz VTZSNBXHPCCGMA-UHFFFAOYSA-N 0 0 186.236 1.326 10 0 ADAERN Cn1nncc1[C@H](O)CCC(C)(C)C 300855426 571989252 /nfs/dbraw/zinc/98/92/52/571989252.db2.gz LNLSXMSGZGBSPQ-SECBINFHSA-N 0 0 197.282 1.675 10 0 ADAERN CO[C@]1(C)CCCCC(=O)C1 238413580 573477884 /nfs/dbraw/zinc/47/78/84/573477884.db2.gz WKSHWFTWZCKEGV-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN O=C1CC[C@H](O)CN1C1CCCCC1 259469017 573477890 /nfs/dbraw/zinc/47/78/90/573477890.db2.gz QQBHJFIXHXPJBV-JTQLQIEISA-N 0 0 197.278 1.302 10 0 ADAERN CO[C@@H]1CCC[C@H](C)C1=O 196176497 571991259 /nfs/dbraw/zinc/99/12/59/571991259.db2.gz KLASHTWICVLAHY-NKWVEPMBSA-N 0 0 142.198 1.391 10 0 ADAERN CC(C)[C@@H]1CCSC1=O 13821480 571991268 /nfs/dbraw/zinc/99/12/68/571991268.db2.gz VETLBPPJDHOLAT-LURJTMIESA-N 0 0 144.239 1.922 10 0 ADAERN CC[C@@H](C)C[NH+]1CC(CC(=O)[O-])C1 81744341 571991269 /nfs/dbraw/zinc/99/12/69/571991269.db2.gz YJSTVFQWQAUELQ-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN CC(=O)[C@@]1(C)CCC(=O)C1(C)C 206946826 571991273 /nfs/dbraw/zinc/99/12/73/571991273.db2.gz PWEPIQXFLHXYDV-SNVBAGLBSA-N 0 0 168.236 1.971 10 0 ADAERN CC(=O)CO[C@H]1C=CCCC1 196178554 571991275 /nfs/dbraw/zinc/99/12/75/571991275.db2.gz MQFBJVJDSIXNHY-VIFPVBQESA-N 0 0 154.209 1.701 10 0 ADAERN CCCCC[NH+]1CC(CC(=O)[O-])C1 81743271 571991283 /nfs/dbraw/zinc/99/12/83/571991283.db2.gz UNAYRPKYBJEZMT-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN C[C@@H](c1ccsc1)N(O)C(N)=O 13762881 571991286 /nfs/dbraw/zinc/99/12/86/571991286.db2.gz PFMLWNKVWINRRO-YFKPBYRVSA-N 0 0 186.236 1.579 10 0 ADAERN CN1Cc2c(N)nn(C3CCC3)c2C1 257818308 573477891 /nfs/dbraw/zinc/47/78/91/573477891.db2.gz FCBZOMQVCHCGHH-UHFFFAOYSA-N 0 0 192.266 1.136 10 0 ADAERN C[C@H]1CCC[C@]1(O)c1cncnc1 83395146 573477897 /nfs/dbraw/zinc/47/78/97/573477897.db2.gz MFGAMDOJEALUMD-WCBMZHEXSA-N 0 0 178.235 1.484 10 0 ADAERN CC1(C)OCc2c(CO)cccc2O1 39120076 571997504 /nfs/dbraw/zinc/99/75/04/571997504.db2.gz GUFVNPANZYZMMU-UHFFFAOYSA-N 0 0 194.230 1.824 10 0 ADAERN Cc1nc2ccccc2nc1CO 39134393 571997509 /nfs/dbraw/zinc/99/75/09/571997509.db2.gz KQODKYYGDPGLHP-UHFFFAOYSA-N 0 0 174.203 1.431 10 0 ADAERN CC[C@@]([NH3+])(Cc1ccccc1)C(=O)[O-] 34212811 572002532 /nfs/dbraw/zinc/00/25/32/572002532.db2.gz HAHPNSONLVJHLP-LLVKDONJSA-N 0 0 193.246 1.421 10 0 ADAERN CCCOC(=O)C=C(C)NC 207100421 572002565 /nfs/dbraw/zinc/00/25/65/572002565.db2.gz AAHLDRPWGQIXIE-SREVYHEPSA-N 0 0 157.213 1.063 10 0 ADAERN CCOC[C@@H](O)[C@@H](CC)OCC 82218774 572002627 /nfs/dbraw/zinc/00/26/27/572002627.db2.gz OECZOZVLSHHEGA-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN Nc1ncnc(OCCCC2CC2)n1 711536532 572002630 /nfs/dbraw/zinc/00/26/30/572002630.db2.gz BIXHONXQTBFPEW-UHFFFAOYSA-N 0 0 194.238 1.023 10 0 ADAERN CCOC[C@@H](C)Nc1ccn(CC)n1 300879969 572002666 /nfs/dbraw/zinc/00/26/66/572002666.db2.gz MOHPGTXTDCNGAN-SECBINFHSA-N 0 0 197.282 1.740 10 0 ADAERN C/C=C(\C)C(=O)Nc1ccc(N)nc1 309004196 572002672 /nfs/dbraw/zinc/00/26/72/572002672.db2.gz PCIICVMBEADBLD-XVNBXDOJSA-N 0 0 191.234 1.569 10 0 ADAERN CCOC(=O)[C@]1(N)C[C@@H]1C1CCCC1 219598569 572002685 /nfs/dbraw/zinc/00/26/85/572002685.db2.gz YGTBDSMTPODIEP-KOLCDFICSA-N 0 0 197.278 1.457 10 0 ADAERN C[C@@H]1CCC[C@@H]2NC(=O)O[C@@H]21 238413497 573479114 /nfs/dbraw/zinc/47/91/14/573479114.db2.gz GYNKPTZTHDMIGI-DSYKOEDSSA-N 0 0 155.197 1.283 10 0 ADAERN Cc1ccncc1[C@H](O)CCCO 235812067 572000273 /nfs/dbraw/zinc/00/02/73/572000273.db2.gz BREJNOORXGWYSF-SNVBAGLBSA-N 0 0 181.235 1.196 10 0 ADAERN C[C@H]1CCC[C@]1(O)Cc1cnn(C)c1 83395266 573479122 /nfs/dbraw/zinc/47/91/22/573479122.db2.gz ZKSGYLKZLVRDTC-ONGXEEELSA-N 0 0 194.278 1.514 10 0 ADAERN CO[C@]1(C)CCC[C@H](C)C1=O 238413734 573479126 /nfs/dbraw/zinc/47/91/26/573479126.db2.gz FMKGXMYEELXOSM-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)OC[C@H]1CCC[C@@H]1O 86527483 573479139 /nfs/dbraw/zinc/47/91/39/573479139.db2.gz KACZTVINKSSNNU-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1cc2oc(C=O)cc2c(=O)o1 39189140 572000309 /nfs/dbraw/zinc/00/03/09/572000309.db2.gz YZOVNFLOTISLIS-UHFFFAOYSA-N 0 0 178.143 1.507 10 0 ADAERN Cc1ccc2c([n+]1[O-])CCCC2 39205458 572000325 /nfs/dbraw/zinc/00/03/25/572000325.db2.gz QADHFSIXMDYMMH-UHFFFAOYSA-N 0 0 163.220 1.507 10 0 ADAERN CC1=NC2=CN=CNC2=NC1(C)C 39113998 572000332 /nfs/dbraw/zinc/00/03/32/572000332.db2.gz YKZGDSLHHHUDJO-UHFFFAOYSA-N 0 0 176.223 1.111 10 0 ADAERN O=C1OC[C@H]1c1ccccc1 39184638 572000632 /nfs/dbraw/zinc/00/06/32/572000632.db2.gz NITVYFHGUACTJP-QMMMGPOBSA-N 0 0 148.161 1.327 10 0 ADAERN CCOc1ccc(NN)cc1OCC 34090408 572000646 /nfs/dbraw/zinc/00/06/46/572000646.db2.gz DIZBJICVTJEWRW-UHFFFAOYSA-N 0 0 196.250 1.770 10 0 ADAERN CC(C)[C@@H]([NH3+])CC[C@H](C)CC(=O)[O-] 169597272 572000653 /nfs/dbraw/zinc/00/06/53/572000653.db2.gz GKJCGJNVUFRUOT-IUCAKERBSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)(CC[NH2+]C1CC1)C(=O)[O-] 258669599 573479160 /nfs/dbraw/zinc/47/91/60/573479160.db2.gz OIPZCKDFSONUKP-UHFFFAOYSA-N 0 0 171.240 1.239 10 0 ADAERN COC(=O)c1cccc2c1CCO2 238413674 573479161 /nfs/dbraw/zinc/47/91/61/573479161.db2.gz YCPONHODNNTFEC-UHFFFAOYSA-N 0 0 178.187 1.408 10 0 ADAERN C[C@@H]1OC[C@H](O)[C@H]1CC(C)(C)C 713184003 572000975 /nfs/dbraw/zinc/00/09/75/572000975.db2.gz RWMASIGQBORIBL-CIUDSAMLSA-N 0 0 172.268 1.818 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](CC1(C)CCC1)NN 689960680 573479167 /nfs/dbraw/zinc/47/91/67/573479167.db2.gz KKYZAWJOWICHCY-KXUCPTDWSA-N 0 0 198.310 1.434 10 0 ADAERN CCOC[C@H](O)[C@@H](CC)OCC 82218777 572001007 /nfs/dbraw/zinc/00/10/07/572001007.db2.gz OECZOZVLSHHEGA-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN CCCC[C@H](F)C(=O)OC 34129684 572001012 /nfs/dbraw/zinc/00/10/12/572001012.db2.gz KQDVRNFLTGWGSU-LURJTMIESA-N 0 0 148.177 1.688 10 0 ADAERN CC[C@]([NH3+])(Cc1ccccc1)C(=O)[O-] 34212812 572001082 /nfs/dbraw/zinc/00/10/82/572001082.db2.gz HAHPNSONLVJHLP-NSHDSACASA-N 0 0 193.246 1.421 10 0 ADAERN CCC[C@H](O)C(=O)C[C@H]1CCCO1 687698638 572015362 /nfs/dbraw/zinc/01/53/62/572015362.db2.gz FNTNBZHAAFTYPZ-BDAKNGLRSA-N 0 0 186.251 1.286 10 0 ADAERN CC(C)COC(=O)Nc1cc[nH]n1 42414592 572015374 /nfs/dbraw/zinc/01/53/74/572015374.db2.gz YLVIXWREAMRFHR-UHFFFAOYSA-N 0 0 183.211 1.614 10 0 ADAERN CC(=O)c1ccccc1SCCO 35174698 572015381 /nfs/dbraw/zinc/01/53/81/572015381.db2.gz ZGXUOCXQULGXDN-UHFFFAOYSA-N 0 0 196.271 1.974 10 0 ADAERN Cc1ccccc1[C@](C)(CO)CON 257818978 573481507 /nfs/dbraw/zinc/48/15/07/573481507.db2.gz FHLXVHJGJKLQRD-LLVKDONJSA-N 0 0 195.262 1.135 10 0 ADAERN C[C@@H]1O[C@@H](C)C(C)(C)[C@@H]1O 238415796 573481548 /nfs/dbraw/zinc/48/15/48/573481548.db2.gz DQUGMKNOLSNBGL-LYFYHCNISA-N 0 0 144.214 1.181 10 0 ADAERN Nc1ccc(Cc2cccnc2)nn1 157288971 573481552 /nfs/dbraw/zinc/48/15/52/573481552.db2.gz JBQIHMHMJQKTIG-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN CCc1nc2ccc(C=O)cc2n1C 258674377 573481556 /nfs/dbraw/zinc/48/15/56/573481556.db2.gz UGVFNJYNKQREBK-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN C[C@H](C(=N)NC(N)=O)c1ccccc1 238414843 573481562 /nfs/dbraw/zinc/48/15/62/573481562.db2.gz ABBYHAQYEXIDFJ-ZETCQYMHSA-N 0 0 191.234 1.436 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](NN)C1CCCC1 689961676 573481573 /nfs/dbraw/zinc/48/15/73/573481573.db2.gz ODLYHRBRIBRRSN-BBBLOLIVSA-N 0 0 184.283 1.043 10 0 ADAERN CCC[C@@H](O)c1cnn(C)c1C 86552565 573481592 /nfs/dbraw/zinc/48/15/92/573481592.db2.gz VFXFFWZDHOPLBV-SECBINFHSA-N 0 0 168.240 1.562 10 0 ADAERN OC[C@@H]1C[C@]1(O)/C=C\c1ccccc1 308596449 573481596 /nfs/dbraw/zinc/48/15/96/573481596.db2.gz SAISEOSMPGLXDQ-QHDQMSKJSA-N 0 0 190.242 1.443 10 0 ADAERN C[C@@](F)(CO)c1ccc(O)cc1 257819172 573481602 /nfs/dbraw/zinc/48/16/02/573481602.db2.gz DBFLGLZKRKYLMX-SECBINFHSA-N 0 0 170.183 1.569 10 0 ADAERN CC(=O)c1ccn2nc(C)nc2c1 107334177 573481629 /nfs/dbraw/zinc/48/16/29/573481629.db2.gz ANURHRXYHVRLNU-UHFFFAOYSA-N 0 0 175.191 1.240 10 0 ADAERN Cc1cc2[nH]c(CCO)nc2cc1F 107288582 573481630 /nfs/dbraw/zinc/48/16/30/573481630.db2.gz IQQINIUITDLYQT-UHFFFAOYSA-N 0 0 194.209 1.545 10 0 ADAERN CCn1oc(=O)c2c(C=O)cccc21 257819438 573481647 /nfs/dbraw/zinc/48/16/47/573481647.db2.gz FKLJGKWCVUYOGJ-UHFFFAOYSA-N 0 0 191.186 1.427 10 0 ADAERN CCCNc1n[nH]c(NCCC)n1 238248733 573481649 /nfs/dbraw/zinc/48/16/49/573481649.db2.gz XCCJEBMHLQBCRS-UHFFFAOYSA-N 0 0 183.259 1.449 10 0 ADAERN C[C@H]1CCc2cnc(CCO)n2C1 258404683 573481654 /nfs/dbraw/zinc/48/16/54/573481654.db2.gz VCWACJSLHZQTOT-QMMMGPOBSA-N 0 0 180.251 1.000 10 0 ADAERN Cc1oc(N)nc1-c1cccc(N)c1 257819421 573481655 /nfs/dbraw/zinc/48/16/55/573481655.db2.gz FJQDAERGEPNTCR-UHFFFAOYSA-N 0 0 189.218 1.814 10 0 ADAERN c1n[nH]cc1O[C@H]1CCSC1 258678374 573481660 /nfs/dbraw/zinc/48/16/60/573481660.db2.gz TVODILDZPVQZHR-LURJTMIESA-N 0 0 170.237 1.294 10 0 ADAERN CC(=O)CCc1cc(C)ncn1 107289933 573481663 /nfs/dbraw/zinc/48/16/63/573481663.db2.gz ICAHISUWLYZCAG-UHFFFAOYSA-N 0 0 164.208 1.307 10 0 ADAERN CN(C[C@H](O)C1CC1)c1ccccc1 68907953 572006621 /nfs/dbraw/zinc/00/66/21/572006621.db2.gz DKUFHDXOAWJDTK-LBPRGKRZSA-N 0 0 191.274 1.894 10 0 ADAERN CNc1[nH+]c(C)cn1C[C@@H]1CCOC1 234508241 572006635 /nfs/dbraw/zinc/00/66/35/572006635.db2.gz OJXIVBIFZIVXQO-VIFPVBQESA-N 0 0 195.266 1.270 10 0 ADAERN COc1cccnc1C[C@@H](C)CO 234941934 572006641 /nfs/dbraw/zinc/00/66/41/572006641.db2.gz ICMJKPVQGNOHAG-MRVPVSSYSA-N 0 0 181.235 1.261 10 0 ADAERN COCO[C@H](C)c1ccc(F)nc1 114176204 572006642 /nfs/dbraw/zinc/00/66/42/572006642.db2.gz HUGRQTLXDMUFLZ-SSDOTTSWSA-N 0 0 185.198 1.902 10 0 ADAERN CCC(C)(C)OC[C@@H](O)C1CC1 68911089 572006643 /nfs/dbraw/zinc/00/66/43/572006643.db2.gz PABUCQVMJMCHOR-SECBINFHSA-N 0 0 172.268 1.963 10 0 ADAERN CCCCC[C@H](O)C(C)=O 14495041 572006652 /nfs/dbraw/zinc/00/66/52/572006652.db2.gz QWEHQNZGVUHHME-QMMMGPOBSA-N 0 0 144.214 1.517 10 0 endogenous,in-man ADAERN O[C@@H](COc1ccc(F)cc1)C1CC1 68910720 572006670 /nfs/dbraw/zinc/00/66/70/572006670.db2.gz HNYDSACMVMXYFW-NSHDSACASA-N 0 0 196.221 1.975 10 0 ADAERN CCO[C@@H]1C(=O)CC1(C)C 207081513 572006679 /nfs/dbraw/zinc/00/66/79/572006679.db2.gz OUACYWJQQCJNOB-SSDOTTSWSA-N 0 0 142.198 1.391 10 0 ADAERN CCOCCC(=O)C(C)(C)OCC 687697875 572006682 /nfs/dbraw/zinc/00/66/82/572006682.db2.gz NPHGXLVDZSPXAK-UHFFFAOYSA-N 0 0 188.267 1.797 10 0 ADAERN CCCCOC[C@@H](O)C1CC1 68911196 572006745 /nfs/dbraw/zinc/00/67/45/572006745.db2.gz VXCNPZXGYHVGJM-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN O[C@@H](COC1CCCC1)C1CC1 68910505 572006751 /nfs/dbraw/zinc/00/67/51/572006751.db2.gz YWDSJMIAAIOWNJ-JTQLQIEISA-N 0 0 170.252 1.717 10 0 ADAERN COC[C@H](C)C(=O)c1ccnc(C)n1 687698270 572006755 /nfs/dbraw/zinc/00/67/55/572006755.db2.gz QGFFWMNNQKLHLP-ZETCQYMHSA-N 0 0 194.234 1.250 10 0 ADAERN CCOCCC(=O)[C@@](C)(CC)OC 687697914 572006773 /nfs/dbraw/zinc/00/67/73/572006773.db2.gz WWQXTAWHGXETNH-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN COC(=O)C(=O)CCC1CCCC1 34618554 572006776 /nfs/dbraw/zinc/00/67/76/572006776.db2.gz RMDVQNPWISOBMK-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CC(=O)C(C)=C1NOC(=O)C1C 107286060 573481678 /nfs/dbraw/zinc/48/16/78/573481678.db2.gz NANLSERONIWHLO-BYPYZUCNSA-N 0 0 169.180 1.381 10 0 ADAERN CC(C)N1C(=O)C[C@@H]2CCCN2C1=O 42164331 572008546 /nfs/dbraw/zinc/00/85/46/572008546.db2.gz XLNAJBVWKPIMDY-QMMMGPOBSA-N 0 0 196.250 1.212 10 0 ADAERN COc1cccnc1CCCO 234939197 572008547 /nfs/dbraw/zinc/00/85/47/572008547.db2.gz FFTSBHOCMMVRBR-UHFFFAOYSA-N 0 0 167.208 1.015 10 0 ADAERN OCCc1nc(C2CCC2)c[nH]1 259106312 573481692 /nfs/dbraw/zinc/48/16/92/573481692.db2.gz OMGBMBUQHJBUKC-UHFFFAOYSA-N 0 0 166.224 1.212 10 0 ADAERN CCOC(=O)NC[C@@H](C)OCC 126361552 573481702 /nfs/dbraw/zinc/48/17/02/573481702.db2.gz KOBBRHHMLVZQMP-SSDOTTSWSA-N 0 0 175.228 1.158 10 0 ADAERN C[C@H](O)C[C@H]1CCCC(=O)C1 14507141 572008581 /nfs/dbraw/zinc/00/85/81/572008581.db2.gz VKQWEGJVQIYJTG-JGVFFNPUSA-N 0 0 156.225 1.517 10 0 ADAERN CCCCCOC[C@H](O)C1CC1 68911203 572008594 /nfs/dbraw/zinc/00/85/94/572008594.db2.gz IYIHUYOQXYZWBT-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@H]1CC[C@@H](CC(=O)OC)C1 113613493 572008603 /nfs/dbraw/zinc/00/86/03/572008603.db2.gz SDCXTPKSXSCEGW-BDAKNGLRSA-N 0 0 186.251 1.612 10 0 ADAERN CCC(=O)N1CCC(CF)CC1 689437392 572008930 /nfs/dbraw/zinc/00/89/30/572008930.db2.gz OUSCMCKGQWOBFT-UHFFFAOYSA-N 0 0 173.231 1.605 10 0 ADAERN Cc1ccc(CCCO)c(C=O)c1 258045922 573481717 /nfs/dbraw/zinc/48/17/17/573481717.db2.gz QPDVOSNCXSBMRA-UHFFFAOYSA-N 0 0 178.231 1.732 10 0 ADAERN CCCCCNC(=O)O[C@@H](C)CO 238244996 573481747 /nfs/dbraw/zinc/48/17/47/573481747.db2.gz DYZYCKROZUQVCJ-QMMMGPOBSA-N 0 0 189.255 1.284 10 0 ADAERN COc1cccc([C@H](O)CC(C)=O)c1 82237898 572014676 /nfs/dbraw/zinc/01/46/76/572014676.db2.gz ZKWCOMLAOQTYIJ-LLVKDONJSA-N 0 0 194.230 1.708 10 0 ADAERN CC(C)[C@H](O)C(=O)C[C@@H]1CCCO1 687698685 572014683 /nfs/dbraw/zinc/01/46/83/572014683.db2.gz RZJUWCWLJMTJDB-WPRPVWTQSA-N 0 0 186.251 1.142 10 0 ADAERN Cc1cnc2n1CCCC2=O 14708600 572014694 /nfs/dbraw/zinc/01/46/94/572014694.db2.gz QEGVGRBNBOFZRY-UHFFFAOYSA-N 0 0 150.181 1.168 10 0 ADAERN Cc1sccc1[C@H](O)[C@H](C)O 235604936 573481760 /nfs/dbraw/zinc/48/17/60/573481760.db2.gz OBBKXHSXYOSWPT-YLWLKBPMSA-N 0 0 172.249 1.471 10 0 ADAERN C[C@H](O)[C@]1(O)CCC[C@@H](C)C1 238415319 573481761 /nfs/dbraw/zinc/48/17/61/573481761.db2.gz GROIBAKLZXDEBE-VGMNWLOBSA-N 0 0 158.241 1.308 10 0 ADAERN CCc1nccc(C(C)=O)n1 107287654 573481767 /nfs/dbraw/zinc/48/17/67/573481767.db2.gz AFKMOPDGLSQAIE-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN Cc1ccc([C@@]2(C)N[C@H](C)CO2)o1 258678223 573481768 /nfs/dbraw/zinc/48/17/68/573481768.db2.gz TUDWDNKUECYERL-XCBNKYQSSA-N 0 0 181.235 1.769 10 0 ADAERN CC(=O)c1n[nH]c2c1CCC2 107291135 573481773 /nfs/dbraw/zinc/48/17/73/573481773.db2.gz MKPDCUCOGHPJRJ-UHFFFAOYSA-N 0 0 150.181 1.101 10 0 ADAERN COc1cc(Cl)c(C[NH3+])cn1 238415112 573483462 /nfs/dbraw/zinc/48/34/62/573483462.db2.gz PXFGFEIFDGZLJZ-UHFFFAOYSA-N 0 0 172.615 1.202 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CC[C@@H](C)C1 83406816 573483473 /nfs/dbraw/zinc/48/34/73/573483473.db2.gz JBJCZVYRDSDCBA-HRDYMLBCSA-N 0 0 185.267 1.580 10 0 ADAERN CC(C)(F)[C@@]([NH3+])(C(=O)[O-])C1CCC1 257818946 573485072 /nfs/dbraw/zinc/48/50/72/573485072.db2.gz FGROWVDVGVUIGV-VIFPVBQESA-N 0 0 189.230 1.317 10 0 ADAERN C[C@@H]1C[N@@H+]([C@@H](C)C2CC2)C[C@@H]1C(=O)[O-] 83409873 573485074 /nfs/dbraw/zinc/48/50/74/573485074.db2.gz FGZMQVBXFQEGAH-WEDXCCLWSA-N 0 0 197.278 1.437 10 0 ADAERN c1n[nH]cc1OC[C@@H]1CCCCO1 258402458 573485099 /nfs/dbraw/zinc/48/50/99/573485099.db2.gz IKXVLUDBKSYPDD-QMMMGPOBSA-N 0 0 182.223 1.358 10 0 ADAERN CCOC(=O)C1=CCC[C@H]1CCO 238247945 573485100 /nfs/dbraw/zinc/48/51/00/573485100.db2.gz JOAAPTDSNHLMIB-QMMMGPOBSA-N 0 0 184.235 1.268 10 0 ADAERN CCC[C@H](C)Oc1ncncc1CO 300887247 572018414 /nfs/dbraw/zinc/01/84/14/572018414.db2.gz MBRBLHOAMWQRMF-QMMMGPOBSA-N 0 0 196.250 1.536 10 0 ADAERN O=C(Nc1ccncn1)c1ccccc1 82258387 572018510 /nfs/dbraw/zinc/01/85/10/572018510.db2.gz YYJKJUUOIFAFAP-UHFFFAOYSA-N 0 0 199.213 1.729 10 0 ADAERN CCC[C@@H](C)Oc1ncncc1CO 300887237 572018512 /nfs/dbraw/zinc/01/85/12/572018512.db2.gz MBRBLHOAMWQRMF-MRVPVSSYSA-N 0 0 196.250 1.536 10 0 ADAERN CCOC(=O)N[C@H](C)CCOC 82367213 572018515 /nfs/dbraw/zinc/01/85/15/572018515.db2.gz PXVYRYGBHKDLBQ-SSDOTTSWSA-N 0 0 175.228 1.158 10 0 ADAERN COCCC(=O)C(F)(F)Cl 687699231 572018520 /nfs/dbraw/zinc/01/85/20/572018520.db2.gz CZRFTWIIPPTENL-UHFFFAOYSA-N 0 0 172.558 1.424 10 0 ADAERN O=C(CN1CCCCCC1)C(F)F 687699120 572018523 /nfs/dbraw/zinc/01/85/23/572018523.db2.gz VXQQQANGHUDRQF-UHFFFAOYSA-N 0 0 191.221 1.697 10 0 ADAERN OC[C@H]1C[C@]1(F)c1ccccc1 33504384 572018524 /nfs/dbraw/zinc/01/85/24/572018524.db2.gz AUXKTRHHSROWHO-ZJUUUORDSA-N 0 0 166.195 1.864 10 0 ADAERN CCN(CC(=O)c1ccc[nH]1)C1CC1 35252590 572018528 /nfs/dbraw/zinc/01/85/28/572018528.db2.gz MUQJBGUPYQGRMM-UHFFFAOYSA-N 0 0 192.262 1.682 10 0 ADAERN CCCC(=O)CCOC 42436365 572018532 /nfs/dbraw/zinc/01/85/32/572018532.db2.gz LRMMVQKUKLVVFR-UHFFFAOYSA-N 0 0 130.187 1.392 10 0 ADAERN CO[C@@H](C(=O)C(F)F)C(C)C 687699026 572018538 /nfs/dbraw/zinc/01/85/38/572018538.db2.gz MFFJIBRUZSTWML-ZCFIWIBFSA-N 0 0 166.167 1.492 10 0 ADAERN CCC(C)(C)[N@H+](C)[C@H](C)CC(=O)[O-] 68999981 572018542 /nfs/dbraw/zinc/01/85/42/572018542.db2.gz DIDWNDNOHCFRNC-MRVPVSSYSA-N 0 0 187.283 1.970 10 0 ADAERN CSc1ccc(CO)cc1O 238415044 573485166 /nfs/dbraw/zinc/48/51/66/573485166.db2.gz HCMAEFDJEYHOMJ-UHFFFAOYSA-N 0 0 170.233 1.606 10 0 ADAERN CCCc1coc2c1C[C@H](O)[C@@H](O)C2 14825369 572021453 /nfs/dbraw/zinc/02/14/53/572021453.db2.gz MSYDKMYBOQUEDH-UWVGGRQHSA-N 0 0 196.246 1.053 10 0 ADAERN CC(C)(C)[C@H](O)CO[C@H]1CCOC1 82455175 572021459 /nfs/dbraw/zinc/02/14/59/572021459.db2.gz TYBOTLYRVPTIES-DTWKUNHWSA-N 0 0 188.267 1.199 10 0 ADAERN CC(=O)c1cc2[nH]nc(C)c2n1C 75393477 572022681 /nfs/dbraw/zinc/02/26/81/572022681.db2.gz POOUSLGPYVRTAN-UHFFFAOYSA-N 0 0 177.207 1.412 10 0 ADAERN CC[C@H](OC)C(=O)C(F)F 687699060 572022691 /nfs/dbraw/zinc/02/26/91/572022691.db2.gz QIBDQKDUOXGFSX-BYPYZUCNSA-N 0 0 152.140 1.246 10 0 ADAERN COCCCC[C@]1(O)CC[C@H]2C[C@H]21 686324030 572022694 /nfs/dbraw/zinc/02/26/94/572022694.db2.gz XJDWUTVNPXMDTI-AXFHLTTASA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CCCC[C@@H]1C(=O)[O-] 83404235 573485172 /nfs/dbraw/zinc/48/51/72/573485172.db2.gz FGQQRRQQWKNSMQ-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN CC1=CC[C@@H](C(N)=O)C1(C)C 14822394 572022715 /nfs/dbraw/zinc/02/27/15/572022715.db2.gz CPXIXSQBLMSQBV-ZETCQYMHSA-N 0 0 153.225 1.464 10 0 ADAERN CCN(CC)CC(=O)C(F)F 687699076 572022722 /nfs/dbraw/zinc/02/27/22/572022722.db2.gz UQBROBWBVGBHJD-UHFFFAOYSA-N 0 0 165.183 1.162 10 0 ADAERN CO[C@@H](COC(=O)C(F)F)C1CC1 393463561 572022739 /nfs/dbraw/zinc/02/27/39/572022739.db2.gz BGORFHZOLDKPLL-LURJTMIESA-N 0 0 194.177 1.220 10 0 ADAERN CC[C@](C)(C[NH+]1CCC1)C(=O)[O-] 687774420 572022747 /nfs/dbraw/zinc/02/27/47/572022747.db2.gz FRDJXHSYLYXRNN-SECBINFHSA-N 0 0 171.240 1.193 10 0 ADAERN OCCc1nc2c(o1)CCCC2 107292243 573485173 /nfs/dbraw/zinc/48/51/73/573485173.db2.gz PNZHKAVMRKVUSY-UHFFFAOYSA-N 0 0 167.208 1.088 10 0 ADAERN COC(=O)[C@H](c1ccc[nH]1)C1CC1 259471118 573485177 /nfs/dbraw/zinc/48/51/77/573485177.db2.gz BOAHMSVIZRRUKN-VIFPVBQESA-N 0 0 179.219 1.681 10 0 ADAERN NC(=O)Nc1ccc[nH]c1=S 207113643 572022778 /nfs/dbraw/zinc/02/27/78/572022778.db2.gz QBYYJLUROFBJSK-UHFFFAOYSA-N 0 0 169.209 1.235 10 0 ADAERN Cc1ccnn1CC[C@@H]1CCC[C@H]1O 86547737 573485191 /nfs/dbraw/zinc/48/51/91/573485191.db2.gz OWCZNIIHWBYFLA-WDEREUQCSA-N 0 0 194.278 1.743 10 0 ADAERN C[C@H]1CCC[C@]12CC(=O)CCO2 83396975 573485199 /nfs/dbraw/zinc/48/51/99/573485199.db2.gz GSNPDCAQQANTBS-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN CC[C@H](C)[C@H](O)c1ccnn1CC 69023280 572023754 /nfs/dbraw/zinc/02/37/54/572023754.db2.gz UGQQKCMVQZAEEH-WPRPVWTQSA-N 0 0 182.267 1.983 10 0 ADAERN C[NH+](C)CCCn1cccc1C(=O)[O-] 35431444 572023780 /nfs/dbraw/zinc/02/37/80/572023780.db2.gz CUZPXJQRLSTNLZ-UHFFFAOYSA-N 0 0 196.250 1.138 10 0 ADAERN CC[C@@H]([NH3+])C(=O)Cc1cccs1 82393805 572023790 /nfs/dbraw/zinc/02/37/90/572023790.db2.gz XSMVRSPWUYKHMT-MRVPVSSYSA-N 0 0 183.276 1.597 10 0 ADAERN CCn1cc([C@@H](OC)C(C)=O)cn1 687774559 572023794 /nfs/dbraw/zinc/02/37/94/572023794.db2.gz NXVMIWCKPGWAGV-VIFPVBQESA-N 0 0 182.223 1.180 10 0 ADAERN Cn1cc(C(=O)CC(C)(F)F)cn1 687700084 572023795 /nfs/dbraw/zinc/02/37/95/572023795.db2.gz DRDXRZGRJCNLNQ-UHFFFAOYSA-N 0 0 188.177 1.648 10 0 ADAERN CCCC(=O)OC[C@@H](OC)C1CC1 393465125 572023797 /nfs/dbraw/zinc/02/37/97/572023797.db2.gz LKFFFBNFFCYLNV-SECBINFHSA-N 0 0 186.251 1.755 10 0 ADAERN CCCOCC(=O)c1ccnn1C 69019766 572024181 /nfs/dbraw/zinc/02/41/81/572024181.db2.gz PVGVWLPSJBYWKZ-UHFFFAOYSA-N 0 0 182.223 1.029 10 0 ADAERN CC[C@H]([NH3+])C(=O)Cc1ccco1 82402594 572024183 /nfs/dbraw/zinc/02/41/83/572024183.db2.gz HJMNVYURHJRLBI-QMMMGPOBSA-N 0 0 167.208 1.129 10 0 ADAERN CCCn1nccc1[C@](C)(O)CC 69022600 572024187 /nfs/dbraw/zinc/02/41/87/572024187.db2.gz USUUGDYPSSTTKP-SNVBAGLBSA-N 0 0 182.267 1.911 10 0 ADAERN CCCn1nccc1[C@@](C)(O)COC 69022735 572024188 /nfs/dbraw/zinc/02/41/88/572024188.db2.gz JPAVIXXPBJHUOY-JTQLQIEISA-N 0 0 198.266 1.147 10 0 ADAERN CCn1cc([C@H](OC)C(C)=O)cn1 687774558 572024191 /nfs/dbraw/zinc/02/41/91/572024191.db2.gz NXVMIWCKPGWAGV-SECBINFHSA-N 0 0 182.223 1.180 10 0 ADAERN CCOC(=O)N(C)[C@H](C)CC 82393647 572024195 /nfs/dbraw/zinc/02/41/95/572024195.db2.gz JBTLQJKSNOZJHB-SSDOTTSWSA-N 0 0 159.229 1.873 10 0 ADAERN CCC(C)(C)C[C@@H](O)C[NH+]1CCC1 713200339 572024202 /nfs/dbraw/zinc/02/42/02/572024202.db2.gz PEWIGIINIKLVJL-SNVBAGLBSA-N 0 0 185.311 1.879 10 0 ADAERN CC[C@@H](C)[C@](C)(O)[C@@H]1CCOC1 82456236 572024212 /nfs/dbraw/zinc/02/42/12/572024212.db2.gz XCPFCLVNUPUITN-BBBLOLIVSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)C[C@@H](C)c1cc[nH]n1 259471093 573485210 /nfs/dbraw/zinc/48/52/10/573485210.db2.gz BMWKLUGHQBIHSO-ZCFIWIBFSA-N 0 0 168.196 1.076 10 0 ADAERN C[C@H]1CN(CC(C)(C)CO)C(=O)[C@@H]1C 687819925 572024231 /nfs/dbraw/zinc/02/42/31/572024231.db2.gz MJGLOLUBCYWROH-DTWKUNHWSA-N 0 0 199.294 1.119 10 0 ADAERN Cc1sccc1S(C)(=O)=O 75480975 572024232 /nfs/dbraw/zinc/02/42/32/572024232.db2.gz MLXYDGXPLWYLNE-UHFFFAOYSA-N 0 0 176.262 1.460 10 0 ADAERN CC[C@@H]([NH3+])C(=O)c1cccc(OC)c1 82388196 572024233 /nfs/dbraw/zinc/02/42/33/572024233.db2.gz KLHDSEVXVCHSMX-SNVBAGLBSA-N 0 0 193.246 1.615 10 0 ADAERN CCCC[C@H]1C(=O)O[C@H](C)[C@H]1O 14917017 572024234 /nfs/dbraw/zinc/02/42/34/572024234.db2.gz LLALEXXCKCFLES-BWZBUEFSSA-N 0 0 172.224 1.099 10 0 ADAERN CCC[C@@H](O)c1ccnn1CC 69023497 572024572 /nfs/dbraw/zinc/02/45/72/572024572.db2.gz MZMORNIEHHCIHY-SECBINFHSA-N 0 0 168.240 1.737 10 0 ADAERN CCCC(=O)[C@@H](OC)[C@@H]1CCCO1 687775584 572024574 /nfs/dbraw/zinc/02/45/74/572024574.db2.gz PEFOUIRIEVGPOQ-VHSXEESVSA-N 0 0 186.251 1.550 10 0 ADAERN CC(C)CC[C@H](O)[C@@H]1CCOC1 82456624 572024586 /nfs/dbraw/zinc/02/45/86/572024586.db2.gz KVSKZXPNPJEYNC-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)[C@H](C)NC[C@@H]1CC[C@H](C)C1 300244244 572024588 /nfs/dbraw/zinc/02/45/88/572024588.db2.gz WPASUCNUKVDNSX-LPEHRKFASA-N 0 0 199.294 1.574 10 0 ADAERN CO[C@@]1(C(C)=O)CCS[C@@H]1C 687775188 572024589 /nfs/dbraw/zinc/02/45/89/572024589.db2.gz MMQLQONQPQPGMB-HTQZYQBOSA-N 0 0 174.265 1.486 10 0 ADAERN CCCc1cc(C=O)n(C)c1 75425510 572024600 /nfs/dbraw/zinc/02/46/00/572024600.db2.gz VMQRQHMIJUMFOJ-UHFFFAOYSA-N 0 0 151.209 1.790 10 0 ADAERN O=C([O-])CCC[NH2+]C/C=C/Cl 35423324 572024614 /nfs/dbraw/zinc/02/46/14/572024614.db2.gz YWINZDDKHPUFGK-DUXPYHPUSA-N 0 0 177.631 1.193 10 0 ADAERN Nc1cnn2cc(C3CCC3)cnc12 219681344 572024634 /nfs/dbraw/zinc/02/46/34/572024634.db2.gz QKKUCAVZPOZMDU-UHFFFAOYSA-N 0 0 188.234 1.579 10 0 ADAERN CCN(CC)c1onc2c1CCNC2 107300893 573490519 /nfs/dbraw/zinc/49/05/19/573490519.db2.gz OJLUXKOWROIPCK-UHFFFAOYSA-N 0 0 195.266 1.167 10 0 ADAERN C[C@@H](O)c1coc(C[C@H]2CCCO2)n1 258038989 573490554 /nfs/dbraw/zinc/49/05/54/573490554.db2.gz KJWKASJDZZBKNI-HTQZYQBOSA-N 0 0 197.234 1.449 10 0 ADAERN Cc1c([C@H]2NCCCS2)cnn1C 86552921 573490574 /nfs/dbraw/zinc/49/05/74/573490574.db2.gz KCMCLYVRGYQMTE-VIFPVBQESA-N 0 0 197.307 1.454 10 0 ADAERN COC(=O)[C@H]1CCCC[C@H](O)C1 107302094 573490583 /nfs/dbraw/zinc/49/05/83/573490583.db2.gz ZHRDIMPOOMEFHY-YUMQZZPRSA-N 0 0 172.224 1.101 10 0 ADAERN CCC[C@@H]1C[C@@H]1C(=O)OCC 143269995 573490613 /nfs/dbraw/zinc/49/06/13/573490613.db2.gz QEGGHEPATWHWJA-SFYZADRCSA-N 0 0 156.225 1.986 10 0 ADAERN COCCON[C@@H](C)C(C)(C)C 686245177 573490620 /nfs/dbraw/zinc/49/06/20/573490620.db2.gz GQENNOUJKZEYBR-QMMMGPOBSA-N 0 0 175.272 1.589 10 0 ADAERN O=C1CCOC[C@@H]1Cc1cscn1 75123818 573490623 /nfs/dbraw/zinc/49/06/23/573490623.db2.gz BZAIXJGAQRPBMB-ZETCQYMHSA-N 0 0 197.259 1.291 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](CC1CCC1)NN 689963914 573490627 /nfs/dbraw/zinc/49/06/27/573490627.db2.gz UKSQJYUVBWFNCL-KXUCPTDWSA-N 0 0 184.283 1.043 10 0 ADAERN Cc1c(CC[C@@H](C)O)cnn1C 86553347 573490640 /nfs/dbraw/zinc/49/06/40/573490640.db2.gz HHNADBZRDZWDJF-SSDOTTSWSA-N 0 0 168.240 1.042 10 0 ADAERN C[C@H](O)c1cccc([C@@H](C)CO)c1 259473392 573490661 /nfs/dbraw/zinc/49/06/61/573490661.db2.gz OKQPETWFYQRDPR-IUCAKERBSA-N 0 0 180.247 1.836 10 0 ADAERN COCCOCCCn1ccc(C)n1 235024500 572026665 /nfs/dbraw/zinc/02/66/65/572026665.db2.gz RDSZLYUAXSVXEA-UHFFFAOYSA-N 0 0 198.266 1.245 10 0 ADAERN CC(C)CCS(=O)(=O)NC1CC1 82432366 572026738 /nfs/dbraw/zinc/02/67/38/572026738.db2.gz MHCYBKNNSUXLLJ-UHFFFAOYSA-N 0 0 191.296 1.114 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)OCC(F)(F)F 82403804 572026747 /nfs/dbraw/zinc/02/67/47/572026747.db2.gz NILPDUKPJKRWOQ-CRCLSJGQSA-N 0 0 197.156 1.683 10 0 ADAERN OCc1nnc(C2CCCCCC2)[nH]1 86560423 573490676 /nfs/dbraw/zinc/49/06/76/573490676.db2.gz BUSOBSQPSNTMBG-UHFFFAOYSA-N 0 0 195.266 1.735 10 0 ADAERN CCC[C@H](C)[C@@H](O)c1cnccn1 69049050 572027843 /nfs/dbraw/zinc/02/78/43/572027843.db2.gz CEYOVFHIEZBXID-WCBMZHEXSA-N 0 0 180.251 1.946 10 0 ADAERN CC[C@@H](C(C)=O)c1nc(COC)no1 82430285 572027864 /nfs/dbraw/zinc/02/78/64/572027864.db2.gz FUDMLGNJELHILQ-ZETCQYMHSA-N 0 0 198.222 1.299 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccnc2cnccc12 336632039 572027878 /nfs/dbraw/zinc/02/78/78/572027878.db2.gz KMSNNPTUXUAKRG-KWQFWETISA-N 0 0 199.257 1.872 10 0 ADAERN Cn1cc(-c2c(C=O)coc2N)cn1 75526049 572027919 /nfs/dbraw/zinc/02/79/19/572027919.db2.gz OJIFRWRFVPPVLY-UHFFFAOYSA-N 0 0 191.190 1.075 10 0 ADAERN CCOc1ccc2c(=O)[nH]oc2c1 14980245 572027931 /nfs/dbraw/zinc/02/79/31/572027931.db2.gz IUDHKIGVJJBHFE-UHFFFAOYSA-N 0 0 179.175 1.932 10 0 ADAERN C[C@@H]1[C@@H](C2CCCCC2)OCCN1N 33641995 572027935 /nfs/dbraw/zinc/02/79/35/572027935.db2.gz XRYMHAKRTOECCQ-KOLCDFICSA-N 0 0 198.310 1.530 10 0 ADAERN CCC[C@@H](C)[C@H](O)c1cnccn1 69049045 572027965 /nfs/dbraw/zinc/02/79/65/572027965.db2.gz CEYOVFHIEZBXID-SCZZXKLOSA-N 0 0 180.251 1.946 10 0 ADAERN CCCOCC(=O)c1cnccn1 69049086 572028288 /nfs/dbraw/zinc/02/82/88/572028288.db2.gz WNRMMYNQOXSSIN-UHFFFAOYSA-N 0 0 180.207 1.086 10 0 ADAERN CCCC[C@@H](C)[C@H](O)COC 300895715 572028292 /nfs/dbraw/zinc/02/82/92/572028292.db2.gz IENSPUKNIMUTJU-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CCOC(=O)[C@H](CC)c1cnccn1 69048906 572028319 /nfs/dbraw/zinc/02/83/19/572028319.db2.gz CEUMDZMJBMQUIW-MRVPVSSYSA-N 0 0 194.234 1.533 10 0 ADAERN CC(C)CO[C@H]1CCCC[C@H]1O 33637731 572028352 /nfs/dbraw/zinc/02/83/52/572028352.db2.gz QYNMQOJKJIUWRX-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN Cn1c(N)cc(C=O)c1N1CCCC1 75557394 572028362 /nfs/dbraw/zinc/02/83/62/572028362.db2.gz QNZNRMUHCXQYBF-UHFFFAOYSA-N 0 0 193.250 1.020 10 0 ADAERN CCCc1c(O)ccc(O)c1CO 143434818 573490685 /nfs/dbraw/zinc/49/06/85/573490685.db2.gz GSMOHSALURFGEO-UHFFFAOYSA-N 0 0 182.219 1.543 10 0 ADAERN Nc1c[nH]c2ncnc(-c3cc[nH]c3)c12 75523586 572028384 /nfs/dbraw/zinc/02/83/84/572028384.db2.gz YAKZTMMCTVENSZ-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN COC[C@@](OC)(C(C)=O)C(C)C 687775513 572029313 /nfs/dbraw/zinc/02/93/13/572029313.db2.gz SNIRFCNSEAEOBA-VIFPVBQESA-N 0 0 174.240 1.263 10 0 ADAERN C[C@@H]1[C@H](C2CCCCC2)OCCN1N 33641993 572029331 /nfs/dbraw/zinc/02/93/31/572029331.db2.gz XRYMHAKRTOECCQ-MWLCHTKSSA-N 0 0 198.310 1.530 10 0 ADAERN CC(=O)N1C[C@@H](C)N(C)c2ccoc21 75595461 572029334 /nfs/dbraw/zinc/02/93/34/572029334.db2.gz HQKLVJZQHOJHOE-SSDOTTSWSA-N 0 0 194.234 1.471 10 0 ADAERN CCC[C@H](C)[C@H](O)c1cnccn1 69049046 572029337 /nfs/dbraw/zinc/02/93/37/572029337.db2.gz CEYOVFHIEZBXID-WPRPVWTQSA-N 0 0 180.251 1.946 10 0 ADAERN COc1ccc(Cl)cc1CON 75119360 573490700 /nfs/dbraw/zinc/49/07/00/573490700.db2.gz GFGYMCCYOCCAON-UHFFFAOYSA-N 0 0 187.626 1.739 10 0 ADAERN CN(C)c1ncnc2ccsc12 197369642 573490701 /nfs/dbraw/zinc/49/07/01/573490701.db2.gz AXPZJYARDJLZHH-UHFFFAOYSA-N 0 0 179.248 1.757 10 0 ADAERN C[C@H]1[C@@H](c2ccccc2)OCCN1N 33642012 572029355 /nfs/dbraw/zinc/02/93/55/572029355.db2.gz URMJFAAZFRUOAL-ONGXEEELSA-N 0 0 192.262 1.322 10 0 ADAERN COC(=O)[C@H](c1cnccn1)C(C)C 69048909 572029360 /nfs/dbraw/zinc/02/93/60/572029360.db2.gz XMGLDYAEJRQEGJ-VIFPVBQESA-N 0 0 194.234 1.389 10 0 ADAERN Nc1cc(N2CCCC2)c(C=O)[nH]1 75555091 572029366 /nfs/dbraw/zinc/02/93/66/572029366.db2.gz FVFPLNKOSZJVCV-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN C[C@H]1C[C@@H](C)C(=O)N1CC(C)(C)CO 687819973 572029375 /nfs/dbraw/zinc/02/93/75/572029375.db2.gz SVQCQKFOFDUJIX-BDAKNGLRSA-N 0 0 199.294 1.262 10 0 ADAERN CCC(C)(C)[NH2+][C@@H](C)CC(=O)[O-] 35747516 572029377 /nfs/dbraw/zinc/02/93/77/572029377.db2.gz FKQMQOVDQFRIDQ-ZETCQYMHSA-N 0 0 173.256 1.628 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1cnn(CC)c1 82448260 572029385 /nfs/dbraw/zinc/02/93/85/572029385.db2.gz HKXPGPGGTIQYTO-GXSJLCMTSA-N 0 0 196.294 1.853 10 0 ADAERN CC1(C)Oc2[nH]ccc2NC1=O 75598974 572029390 /nfs/dbraw/zinc/02/93/90/572029390.db2.gz MJXARUUGTATBRU-UHFFFAOYSA-N 0 0 166.180 1.124 10 0 ADAERN CCCc1noc([C@@H](C)[C@H](O)CC)n1 82447592 572029402 /nfs/dbraw/zinc/02/94/02/572029402.db2.gz YIUQEYNTPJXXNO-JGVFFNPUSA-N 0 0 198.266 1.897 10 0 ADAERN CC[C@@H](O)[C@@H](C)CCCOC 82448357 572029407 /nfs/dbraw/zinc/02/94/07/572029407.db2.gz GRWXQVNSLCAEGR-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@H]1CNc2cc[nH]c2S1 75599505 572029416 /nfs/dbraw/zinc/02/94/16/572029416.db2.gz BBIDBZHGBDECCT-YFKPBYRVSA-N 0 0 154.238 1.921 10 0 ADAERN CCc1noc([C@H](C)[C@H](O)CC)n1 82447581 572029418 /nfs/dbraw/zinc/02/94/18/572029418.db2.gz HJAKLVSZKPLENS-RNFRBKRXSA-N 0 0 184.239 1.506 10 0 ADAERN CC[NH2+][C@@H](CO)c1ccc(F)c(C)c1 50559613 573492302 /nfs/dbraw/zinc/49/23/02/573492302.db2.gz UXHBQDYXUDTFCC-NSHDSACASA-N 0 0 197.253 1.777 10 0 ADAERN Cc1ccc(CF)cc1CCON 258042531 573492312 /nfs/dbraw/zinc/49/23/12/573492312.db2.gz JZBBDDAVTBMMIR-UHFFFAOYSA-N 0 0 183.226 1.897 10 0 ADAERN COc1c[n-]c(F)c(C(F)F)c1=O 238408392 573492327 /nfs/dbraw/zinc/49/23/27/573492327.db2.gz TZVWLPZKFFIAQN-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN Cc1cc(F)cc(CC2(O)CC2)c1O 258042487 573492336 /nfs/dbraw/zinc/49/23/36/573492336.db2.gz JXVWDZQLSYMXEU-UHFFFAOYSA-N 0 0 196.221 1.907 10 0 ADAERN CO[C@H](C)CNc1ccccc1N 223660437 573492338 /nfs/dbraw/zinc/49/23/38/573492338.db2.gz PARTWTVJVSSHIG-MRVPVSSYSA-N 0 0 180.251 1.716 10 0 ADAERN CC(C)c1ccc(O)c(CON)c1 258041881 573492349 /nfs/dbraw/zinc/49/23/49/573492349.db2.gz QGVHCUIFWBMDFS-UHFFFAOYSA-N 0 0 181.235 1.906 10 0 ADAERN Cc1c([C@@H]2NC[C@H](C)S2)cnn1C 86552912 573492360 /nfs/dbraw/zinc/49/23/60/573492360.db2.gz VHCUSUSGJKIJJF-IMTBSYHQSA-N 0 0 197.307 1.452 10 0 ADAERN [NH3+][C@@H]1c2cccc(F)c2C[C@@H]1C(=O)[O-] 258042317 573492362 /nfs/dbraw/zinc/49/23/62/573492362.db2.gz JIMLGPAAWPIUCX-IONNQARKSA-N 0 0 195.193 1.082 10 0 ADAERN COc1cc(CO)cc2c1CCO2 238408642 573492363 /nfs/dbraw/zinc/49/23/63/573492363.db2.gz TZAIWVQBDKOANL-UHFFFAOYSA-N 0 0 180.203 1.122 10 0 ADAERN Nc1oncc1-c1c(O)cccc1O 258042506 573492403 /nfs/dbraw/zinc/49/24/03/573492403.db2.gz JYNFXYPIILAJIE-UHFFFAOYSA-N 0 0 192.174 1.335 10 0 ADAERN Clc1cnnn1C1CC1 259474156 573492407 /nfs/dbraw/zinc/49/24/07/573492407.db2.gz WVEMHJNTLFCELX-UHFFFAOYSA-N 0 0 143.577 1.266 10 0 ADAERN CC(C)(O)CNc1cc[nH]c1 258687646 573492411 /nfs/dbraw/zinc/49/24/11/573492411.db2.gz BFUMNENSBLRTPJ-UHFFFAOYSA-N 0 0 154.213 1.198 10 0 ADAERN C[C@@H](OC(N)=O)C1=CCCC1 238408224 573492412 /nfs/dbraw/zinc/49/24/12/573492412.db2.gz MKQOTMMIGUECKN-ZCFIWIBFSA-N 0 0 155.197 1.581 10 0 ADAERN COc1ncc(C)cc1[C@@H](C)[NH3+] 238408217 573492437 /nfs/dbraw/zinc/49/24/37/573492437.db2.gz GAOXBTBXVUEILG-SSDOTTSWSA-N 0 0 166.224 1.418 10 0 ADAERN O=C(CC1=NCCO1)c1ccncc1 259107340 573492440 /nfs/dbraw/zinc/49/24/40/573492440.db2.gz HVUHEPLZGMTDCS-UHFFFAOYSA-N 0 0 190.202 1.083 10 0 ADAERN OCC[C@@H]1COc2cccc(F)c21 258041480 573492446 /nfs/dbraw/zinc/49/24/46/573492446.db2.gz KPEPARCMXHAQTA-SSDOTTSWSA-N 0 0 182.194 1.684 10 0 ADAERN CC1=C[C@@H]2OC[C@](C)(O)[C@@H]2CC1 15169550 572036048 /nfs/dbraw/zinc/03/60/48/572036048.db2.gz XLQJEYSOWSYVFS-UTLUCORTSA-N 0 0 168.236 1.493 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@H+](CC(C)C)C1CC1 42558014 572036061 /nfs/dbraw/zinc/03/60/61/572036061.db2.gz VDHQRSNXIRLXRT-JTQLQIEISA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H](C)[N@H+](CC)[C@@H](C)CC(=O)[O-] 35752624 572036109 /nfs/dbraw/zinc/03/61/09/572036109.db2.gz OVIASTVRMXCHQI-IUCAKERBSA-N 0 0 187.283 1.970 10 0 ADAERN C/C=C/[C@H]1C[C@H]1C(=O)OCC 33842217 572036137 /nfs/dbraw/zinc/03/61/37/572036137.db2.gz TXWMMLLWLONGEU-IQPYVPGXSA-N 0 0 154.209 1.762 10 0 ADAERN CC/C=C/CCC(=O)OC 33839421 572036424 /nfs/dbraw/zinc/03/64/24/572036424.db2.gz CVDVXDORDMZHRW-SNAWJCMRSA-N 0 0 142.198 1.906 10 0 ADAERN OCc1ccc(-c2ccc(CO)o2)o1 33835109 572036426 /nfs/dbraw/zinc/03/64/26/572036426.db2.gz NOYCHKMDIFYISW-UHFFFAOYSA-N 0 0 194.186 1.524 10 0 ADAERN CCC[N@H+](CC)[C@@H](C)CC(=O)[O-] 35752541 572036432 /nfs/dbraw/zinc/03/64/32/572036432.db2.gz WTMUIHDPIUFUGM-QMMMGPOBSA-N 0 0 173.256 1.582 10 0 ADAERN CC/C=C/[C@@H](CC)CO 33840697 572036445 /nfs/dbraw/zinc/03/64/45/572036445.db2.gz WNQFVERFIHFVJG-HQZHTGGTSA-N 0 0 128.215 1.971 10 0 ADAERN Cc1c(-c2n[nH]cc2Cl)cnn1C 15937317 572036455 /nfs/dbraw/zinc/03/64/55/572036455.db2.gz JZIFGAIOEMGCBK-UHFFFAOYSA-N 0 0 196.641 1.772 10 0 ADAERN COC1CCC(N2CC=CCN2)CC1 686324137 572036472 /nfs/dbraw/zinc/03/64/72/572036472.db2.gz AEEAUDFJKVQRSN-UHFFFAOYSA-N 0 0 196.294 1.320 10 0 ADAERN CC1=CO[C@H](CO)CC1 33836169 572036473 /nfs/dbraw/zinc/03/64/73/572036473.db2.gz TVATZMPTDCUELD-ZETCQYMHSA-N 0 0 128.171 1.062 10 0 ADAERN Cc1ccc2n1CCC(=O)C2 33835717 572036476 /nfs/dbraw/zinc/03/64/76/572036476.db2.gz CRSMOVHFAKLWRZ-UHFFFAOYSA-N 0 0 149.193 1.312 10 0 ADAERN C/C=C/[C@@H]1C[C@H]1C(=O)OCC 33842219 572036477 /nfs/dbraw/zinc/03/64/77/572036477.db2.gz TXWMMLLWLONGEU-LFHXBRCSSA-N 0 0 154.209 1.762 10 0 ADAERN Cc1cc(-c2cnc(C)o2)on1 33835592 572036527 /nfs/dbraw/zinc/03/65/27/572036527.db2.gz VWBIQQORAMBACL-UHFFFAOYSA-N 0 0 164.164 1.946 10 0 ADAERN C[C@@H]1CC(=O)N(CCCCCCO)C1 235590981 572036544 /nfs/dbraw/zinc/03/65/44/572036544.db2.gz NZEOYICAUCBNMV-SNVBAGLBSA-N 0 0 199.294 1.408 10 0 ADAERN C[C@@H](O)c1cnn(CC(C)(C)C)c1 713201011 572036560 /nfs/dbraw/zinc/03/65/60/572036560.db2.gz SXRRCKFDBOIOIM-MRVPVSSYSA-N 0 0 182.267 1.983 10 0 ADAERN C=C/C(C)=C\[C@@H](O)[C@H]1OC1(C)C 15159492 572036566 /nfs/dbraw/zinc/03/65/66/572036566.db2.gz CBSSJRUNXRLTBZ-IEKVDETDSA-N 0 0 168.236 1.657 10 0 ADAERN CC[C@@H](C(=O)OC)c1ccccn1 82505913 572036567 /nfs/dbraw/zinc/03/65/67/572036567.db2.gz GVBYMOYLNITFAY-MRVPVSSYSA-N 0 0 179.219 1.748 10 0 ADAERN CC/C=C/[C@H](CC)CO 33840698 572036580 /nfs/dbraw/zinc/03/65/80/572036580.db2.gz WNQFVERFIHFVJG-GJIOHYHPSA-N 0 0 128.215 1.971 10 0 ADAERN CCn1nncc1[C@@H](O)CC1CCC1 300901558 572036583 /nfs/dbraw/zinc/03/65/83/572036583.db2.gz QZITUVZFDXHGOP-JTQLQIEISA-N 0 0 195.266 1.522 10 0 ADAERN OC1(CCOCC(F)(F)F)CCC1 687701619 572036596 /nfs/dbraw/zinc/03/65/96/572036596.db2.gz HVLRUGGCBLCUOX-UHFFFAOYSA-N 0 0 198.184 1.870 10 0 ADAERN CNC(=O)OCc1cnc(C)s1 33824773 572036606 /nfs/dbraw/zinc/03/66/06/572036606.db2.gz PWBSNIGCZNXABS-UHFFFAOYSA-N 0 0 186.236 1.308 10 0 ADAERN C[C@@]12C=CC[C@@]1(OCCO)OCC2 33835129 572036619 /nfs/dbraw/zinc/03/66/19/572036619.db2.gz GQSTVVYGUVJDOR-UWVGGRQHSA-N 0 0 184.235 1.078 10 0 ADAERN CC[C@H](C)[N@H+](C)[C@@H](C)CC(=O)[O-] 35752602 572038293 /nfs/dbraw/zinc/03/82/93/572038293.db2.gz YCPYDYXJRFDUQE-YUMQZZPRSA-N 0 0 173.256 1.580 10 0 ADAERN CSCC[C@]1(CO)CCCOC1 235041997 572041426 /nfs/dbraw/zinc/04/14/26/572041426.db2.gz XEMQLPMCQODGQC-VIFPVBQESA-N 0 0 190.308 1.529 10 0 ADAERN CS[C@H](C)CCNC(=O)C(F)F 235049095 572041461 /nfs/dbraw/zinc/04/14/61/572041461.db2.gz SBPBTPRESUWOLC-RXMQYKEDSA-N 0 0 197.250 1.509 10 0 ADAERN CS[C@@H](C)CCNC(=O)C(F)F 235044682 572041483 /nfs/dbraw/zinc/04/14/83/572041483.db2.gz SBPBTPRESUWOLC-YFKPBYRVSA-N 0 0 197.250 1.509 10 0 ADAERN O=[S@](C1CCCC1)N1CCC1 687777181 572041492 /nfs/dbraw/zinc/04/14/92/572041492.db2.gz CDGHPQCWRLRFPQ-LLVKDONJSA-N 0 0 173.281 1.298 10 0 ADAERN CO[C@H](O)c1c(C)cccc1N 238408462 573492474 /nfs/dbraw/zinc/49/24/74/573492474.db2.gz KFKOVNKQVFABEW-VIFPVBQESA-N 0 0 167.208 1.215 10 0 ADAERN CCCC[C@H](C)C(=O)c1cnnn1C 300913909 572041828 /nfs/dbraw/zinc/04/18/28/572041828.db2.gz KGXTXARGQLCYMO-QMMMGPOBSA-N 0 0 195.266 1.824 10 0 ADAERN COC[C@H](C)CNc1cncc(F)c1 300908975 572041851 /nfs/dbraw/zinc/04/18/51/572041851.db2.gz DZYDUJJKZCUFKS-MRVPVSSYSA-N 0 0 198.241 1.915 10 0 ADAERN CC[S@@](=O)NCCC1CCC1 687777680 572041865 /nfs/dbraw/zinc/04/18/65/572041865.db2.gz MELOBRVIYFSRBV-LLVKDONJSA-N 0 0 175.297 1.450 10 0 ADAERN CC[NH2+][C@H](CCOC)c1cn[nH]c1 687701834 572041881 /nfs/dbraw/zinc/04/18/81/572041881.db2.gz RQTYCEFRISMYGF-SECBINFHSA-N 0 0 183.255 1.097 10 0 ADAERN CCCOCCOc1ccncc1N 82528189 572041896 /nfs/dbraw/zinc/04/18/96/572041896.db2.gz XHFPNODZQCTSPJ-UHFFFAOYSA-N 0 0 196.250 1.469 10 0 ADAERN CN(C[C@@H]1C[C@H]2CC[C@@H]1C2)C(N)=S 82527789 572041915 /nfs/dbraw/zinc/04/19/15/572041915.db2.gz QEXKRSYYDMAVBM-YIZRAAEISA-N 0 0 198.335 1.598 10 0 ADAERN C[C@H]1C[C@H](O)Cc2cc(O)cc(O)c21 15215478 572041941 /nfs/dbraw/zinc/04/19/41/572041941.db2.gz WEHCLKPVYGSJHR-XPUUQOCRSA-N 0 0 194.230 1.508 10 0 ADAERN O=C([O-])C[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 82527868 572042849 /nfs/dbraw/zinc/04/28/49/572042849.db2.gz KZUCXZJPFJVDHR-DJLDLDEBSA-N 0 0 183.251 1.097 10 0 ADAERN CO[C@H](C)[C@@H](O)C1CCCCC1 86575049 573493549 /nfs/dbraw/zinc/49/35/49/573493549.db2.gz DNXJCXBMEBNCIZ-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN C=CC(=O)NCC1(SC)CCCC1 235054416 572042862 /nfs/dbraw/zinc/04/28/62/572042862.db2.gz KOGWPBLCSSLRDK-UHFFFAOYSA-N 0 0 199.319 1.964 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1cnnn1CC 300911023 572042875 /nfs/dbraw/zinc/04/28/75/572042875.db2.gz SAXSGMDMKYXCQO-PSASIEDQSA-N 0 0 197.282 1.768 10 0 ADAERN O=C(CC[C@@H]1CCOC1)[C@H](O)C1CC1 400872809 572042904 /nfs/dbraw/zinc/04/29/04/572042904.db2.gz IXHZNSMCKUGGMQ-LDYMZIIASA-N 0 0 198.262 1.143 10 0 ADAERN Cn1ccc(N[C@H]2CCCOCC2)n1 83425392 573493004 /nfs/dbraw/zinc/49/30/04/573493004.db2.gz BJKQZXIPTUTTIN-VIFPVBQESA-N 0 0 195.266 1.401 10 0 ADAERN CO[C@H](C)C(=O)c1cccs1 86574507 573493009 /nfs/dbraw/zinc/49/30/09/573493009.db2.gz FCTXZFCUQVFMEX-ZCFIWIBFSA-N 0 0 170.233 1.966 10 0 ADAERN CO[C@H](O)c1ccc(O)cc1 238408575 573493016 /nfs/dbraw/zinc/49/30/16/573493016.db2.gz JZGABMCVLHBAIV-QMMMGPOBSA-N 0 0 154.165 1.030 10 0 ADAERN CO[C@H](C)C(=O)CC(C)C 86574442 573493019 /nfs/dbraw/zinc/49/30/19/573493019.db2.gz XJYVDBJDPFSGHR-SSDOTTSWSA-N 0 0 144.214 1.637 10 0 ADAERN CCC[C@@]1(O)CCCOCC1 83426571 573493022 /nfs/dbraw/zinc/49/30/22/573493022.db2.gz NODPXFXZQIYJIC-SECBINFHSA-N 0 0 158.241 1.718 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]([NH2+]C2CC2)C1 107302160 573493023 /nfs/dbraw/zinc/49/30/23/573493023.db2.gz VGMNAWFJYISZAM-CBAPKCEASA-N 0 0 183.251 1.382 10 0 ADAERN CO[C@@H]1C(=O)[C@@H]2CCCC[C@H]12 238408313 573493024 /nfs/dbraw/zinc/49/30/24/573493024.db2.gz DHCQFHIOXYKTFQ-FJXKBIBVSA-N 0 0 154.209 1.391 10 0 ADAERN Cc1ccccc1[C@H](CO)C1COC1 258687126 573493033 /nfs/dbraw/zinc/49/30/33/573493033.db2.gz WTUZWVXMXUXWLC-GFCCVEGCSA-N 0 0 192.258 1.717 10 0 ADAERN C[C@@H](OC=O)C(=O)C(C)(C)C 238408562 573493037 /nfs/dbraw/zinc/49/30/37/573493037.db2.gz OUTOQFSKQPQZQB-ZCFIWIBFSA-N 0 0 158.197 1.163 10 0 ADAERN CC(=O)CNc1ccccc1F 258684904 573493040 /nfs/dbraw/zinc/49/30/40/573493040.db2.gz PVQRLSNAESEWGV-UHFFFAOYSA-N 0 0 167.183 1.827 10 0 ADAERN CO[C@@H](C)[C@@H](O)CC1CC1 86575435 573493041 /nfs/dbraw/zinc/49/30/41/573493041.db2.gz NBYSRGZYENORFC-XPUUQOCRSA-N 0 0 144.214 1.182 10 0 ADAERN CO[C@@H]1C(=O)C[C@H]1c1ccccc1 238408082 573493058 /nfs/dbraw/zinc/49/30/58/573493058.db2.gz QODQDMRFPIAAKA-ONGXEEELSA-N 0 0 176.215 1.758 10 0 ADAERN COc1ncc(C)cc1[C@@H]([NH3+])C1CC1 238408284 573493064 /nfs/dbraw/zinc/49/30/64/573493064.db2.gz JUWFSKXRPDHLTE-JTQLQIEISA-N 0 0 192.262 1.808 10 0 ADAERN COc1cnn(-c2ccccc2O)c1 258690646 573493067 /nfs/dbraw/zinc/49/30/67/573493067.db2.gz UFKABZDVCCXOGR-UHFFFAOYSA-N 0 0 190.202 1.587 10 0 ADAERN COC(=O)[C@H](c1cnoc1)C(C)C 259472382 573493080 /nfs/dbraw/zinc/49/30/80/573493080.db2.gz BUIUFQISIMYRQR-QMMMGPOBSA-N 0 0 183.207 1.587 10 0 ADAERN CC(=O)[C@H](C)S[C@H](C)C(C)=O 33951248 572045085 /nfs/dbraw/zinc/04/50/85/572045085.db2.gz YGVGCMGLHWUOCP-OCAPTIKFSA-N 0 0 174.265 1.675 10 0 ADAERN CN(C1CC1)[S@](=O)C1CCCC1 687777269 572045092 /nfs/dbraw/zinc/04/50/92/572045092.db2.gz QNNYSOCEIUWYME-GFCCVEGCSA-N 0 0 187.308 1.687 10 0 ADAERN CO[C@H](C)[C@@H](O)C(C)C 86574898 573493098 /nfs/dbraw/zinc/49/30/98/573493098.db2.gz VGAIJIUGZZDDLL-RQJHMYQMSA-N 0 0 132.203 1.038 10 0 ADAERN CC[S@](=O)NC[C@@H](C)C1CC1 687777428 572045124 /nfs/dbraw/zinc/04/51/24/572045124.db2.gz CDQJXYFMWOATRJ-HQJQHLMTSA-N 0 0 175.297 1.306 10 0 ADAERN CC[S@@](=O)N[C@H](C)C1CCC1 687777502 572045135 /nfs/dbraw/zinc/04/51/35/572045135.db2.gz GJBOIQKECPJMEV-RDDDGLTNSA-N 0 0 175.297 1.448 10 0 ADAERN CCCOCCO[C@H](C)[C@@H](O)CC 82528838 572045139 /nfs/dbraw/zinc/04/51/39/572045139.db2.gz XTYASVZJRUVMQZ-ZJUUUORDSA-N 0 0 190.283 1.589 10 0 ADAERN CC[S@](=O)N1CCC(C)(C)C1 687777975 572045949 /nfs/dbraw/zinc/04/59/49/572045949.db2.gz WEGDKJCZUFFYGX-NSHDSACASA-N 0 0 175.297 1.402 10 0 ADAERN COC(=O)c1ccc2c[nH]nc2c1F 238408409 573493106 /nfs/dbraw/zinc/49/31/06/573493106.db2.gz SCPQHWPGJRANOQ-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN Cc1cc2nc(=O)ccc-2c(C)[nH]1 34087119 572052420 /nfs/dbraw/zinc/05/24/20/572052420.db2.gz HSZROMRNBUHWNJ-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN CO[C@H](CC(C)=O)C1CC1 34102147 572055130 /nfs/dbraw/zinc/05/51/30/572055130.db2.gz KGVRLYSFBSDXFS-MRVPVSSYSA-N 0 0 142.198 1.391 10 0 ADAERN CCOC(=O)C1=C(O)CCC[C@@H]1C 34109172 572055134 /nfs/dbraw/zinc/05/51/34/572055134.db2.gz NTIIYMFJLLQONW-IONNQARKSA-N 0 0 184.235 1.555 10 0 ADAERN CC(C)=CNC(=O)N(C)C 34115227 572055162 /nfs/dbraw/zinc/05/51/62/572055162.db2.gz NHAKLNCGSDAYNE-UHFFFAOYSA-N 0 0 142.202 1.181 10 0 ADAERN CO[C@H](C)C(=O)C1CCCC1 86574703 573493130 /nfs/dbraw/zinc/49/31/30/573493130.db2.gz GRNCDTBZIGLUBU-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1cccc(NC(=O)NO)c1 34115454 572055190 /nfs/dbraw/zinc/05/51/90/572055190.db2.gz NWFZHUXUUHGSJJ-UHFFFAOYSA-N 0 0 166.180 1.506 10 0 ADAERN CCOC(=O)Oc1ccco1 34101520 572055205 /nfs/dbraw/zinc/05/52/05/572055205.db2.gz GTIRLRNJOBWSBK-UHFFFAOYSA-N 0 0 156.137 1.815 10 0 ADAERN Cc1ccc(N)c2c1C[C@H](C)O2 34092114 572055217 /nfs/dbraw/zinc/05/52/17/572055217.db2.gz ZEJZIEVESMKIFW-ZETCQYMHSA-N 0 0 163.220 1.901 10 0 ADAERN CCC(C)(C)C[C@H](O)c1c[nH]nc1N 713207782 572055220 /nfs/dbraw/zinc/05/52/20/572055220.db2.gz BUIKBQBXKDPLJH-QMMMGPOBSA-N 0 0 197.282 1.852 10 0 ADAERN CC[S@](=O)N(C)CCC(C)C 687778775 572055230 /nfs/dbraw/zinc/05/52/30/572055230.db2.gz VBRDUUKTYKVFGR-NSHDSACASA-N 0 0 177.313 1.648 10 0 ADAERN C/C=C/C1(O)CCOCC1 219759161 572055233 /nfs/dbraw/zinc/05/52/33/572055233.db2.gz JJEFMVCSAFGPFX-NSCUHMNNSA-N 0 0 142.198 1.104 10 0 ADAERN CCO[C@@H](C(C)C)[C@@H](NC)C(F)F 687706409 572055653 /nfs/dbraw/zinc/05/56/53/572055653.db2.gz KSELHGNPMJELCD-SFYZADRCSA-N 0 0 195.253 1.901 10 0 ADAERN O[C@@H]1CCC2=C1CCC2 34107965 572055664 /nfs/dbraw/zinc/05/56/64/572055664.db2.gz SVRHNTRNLHZWJF-MRVPVSSYSA-N 0 0 124.183 1.622 10 0 ADAERN CC(=O)[C@]1(C)O[C@H]1c1ccco1 196447501 572055689 /nfs/dbraw/zinc/05/56/89/572055689.db2.gz STPRXEHGTQEFGU-IUCAKERBSA-N 0 0 166.176 1.699 10 0 ADAERN CCc1c(C=O)ccc(O)c1OC 34114052 572055696 /nfs/dbraw/zinc/05/56/96/572055696.db2.gz WCBYHIHETXJEQM-UHFFFAOYSA-N 0 0 180.203 1.776 10 0 ADAERN O=C1N[C@@H](CO)C[C@H]1C1CCCCC1 34113348 572055718 /nfs/dbraw/zinc/05/57/18/572055718.db2.gz RFLUQFXNAUMIFX-ZJUUUORDSA-N 0 0 197.278 1.064 10 0 ADAERN CCC[C@H](O)C(=O)C[C@@H]1CCOC1 400889767 572055723 /nfs/dbraw/zinc/05/57/23/572055723.db2.gz ZYAIEALLQDBFEA-IUCAKERBSA-N 0 0 186.251 1.143 10 0 ADAERN COC(=O)[C@@H]1Nc2ccccc2[C@H]1C 34102137 572055743 /nfs/dbraw/zinc/05/57/43/572055743.db2.gz SEOXMJMKBPNEDK-GMSGAONNSA-N 0 0 191.230 1.757 10 0 ADAERN Cc1ccc(N)c2c1C[C@@H](C)O2 34092115 572055750 /nfs/dbraw/zinc/05/57/50/572055750.db2.gz ZEJZIEVESMKIFW-SSDOTTSWSA-N 0 0 163.220 1.901 10 0 ADAERN C[C@@H]1O[C@H](CO)CN1c1ccccc1 238421493 573493527 /nfs/dbraw/zinc/49/35/27/573493527.db2.gz HBBSPVJQTGKYLB-ONGXEEELSA-N 0 0 193.246 1.230 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)OCC2 257821424 573493529 /nfs/dbraw/zinc/49/35/29/573493529.db2.gz DUCZTKVRNWBADM-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN CSC(=S)SCCC(N)=O 238408371 573493536 /nfs/dbraw/zinc/49/35/36/573493536.db2.gz QUWIAFXAUQFNMS-UHFFFAOYSA-N 0 0 195.334 1.243 10 0 ADAERN CC[S@](=O)NCCC(F)(F)F 687779470 572058466 /nfs/dbraw/zinc/05/84/66/572058466.db2.gz DBLIGFFTRRPMQH-NSHDSACASA-N 0 0 189.202 1.212 10 0 ADAERN CCOc1ccc(C(N)=O)c(CC)c1 71463349 572058468 /nfs/dbraw/zinc/05/84/68/572058468.db2.gz VYVVHVUGIUQVHX-UHFFFAOYSA-N 0 0 193.246 1.747 10 0 ADAERN COC(=O)Oc1ccccc1O 34140074 572058495 /nfs/dbraw/zinc/05/84/95/572058495.db2.gz XISNHLSTXMGPIY-UHFFFAOYSA-N 0 0 168.148 1.537 10 0 ADAERN CC[C@H](C)[C@H](C)N[S@](=O)CC 687779667 572058502 /nfs/dbraw/zinc/05/85/02/572058502.db2.gz IJGQGUYZSDQRLW-DKCNOQQISA-N 0 0 177.313 1.694 10 0 ADAERN C[C@]12CCC(=O)NC1=CCCC2=O 196450080 572058508 /nfs/dbraw/zinc/05/85/08/572058508.db2.gz BSSVXXSVIKXWSY-JTQLQIEISA-N 0 0 179.219 1.150 10 0 ADAERN CCC[C@@H](C)N(C)[S@@](=O)CC 687779617 572058518 /nfs/dbraw/zinc/05/85/18/572058518.db2.gz HVLAGQPSWDEXND-KCJUWKMLSA-N 0 0 177.313 1.790 10 0 ADAERN Fc1nccc(NC[C@H]2C=CCC2)n1 711655762 572058526 /nfs/dbraw/zinc/05/85/26/572058526.db2.gz PNDNXAFSHRXSIX-QMMMGPOBSA-N 0 0 193.225 1.994 10 0 ADAERN COC(=O)[C@]1(C)C[C@H]1C 34129786 572058527 /nfs/dbraw/zinc/05/85/27/572058527.db2.gz OOJSZNKVLOYWKL-IYSWYEEDSA-N 0 0 128.171 1.206 10 0 ADAERN CC(C)/C=C/C[C@H](C)O 34133230 572058536 /nfs/dbraw/zinc/05/85/36/572058536.db2.gz DDCSBNXVMSWZLW-ZJELKQJVSA-N 0 0 128.215 1.970 10 0 ADAERN 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572343421 /nfs/dbraw/zinc/34/34/21/572343421.db2.gz WROZMYKXVSZOFW-SSDOTTSWSA-N 0 0 183.255 1.615 10 0 ADAERN CC/C(=C\CO)CCC(OC)OC 238213687 572343422 /nfs/dbraw/zinc/34/34/22/572343422.db2.gz KAJQAXCBTLRXIA-VQHVLOKHSA-N 0 0 188.267 1.714 10 0 ADAERN CC(=O)c1c(O)c(C)cc2c1CCO2 258050258 573504818 /nfs/dbraw/zinc/50/48/18/573504818.db2.gz KLUNKOMHXDQCDB-UHFFFAOYSA-N 0 0 192.214 1.838 10 0 ADAERN O=C(/C=C/C1CC1)NOCC(F)F 308399998 573504833 /nfs/dbraw/zinc/50/48/33/573504833.db2.gz HRCDBIOQBJGLLH-ONEGZZNKSA-N 0 0 191.177 1.266 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1[C@]1(C)C[C@@H]1C 714704409 573504839 /nfs/dbraw/zinc/50/48/39/573504839.db2.gz CMDVOWUMUZBINP-KHWQERMQSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@H]([NH3+])CCc1ccc(O)cc1F 238419214 573504841 /nfs/dbraw/zinc/50/48/41/573504841.db2.gz ZTLZEUITBGFAJK-ZETCQYMHSA-N 0 0 183.226 1.811 10 0 ADAERN CCCCC[C@H](O)c1ncnn1C 214906737 573504850 /nfs/dbraw/zinc/50/48/50/573504850.db2.gz ITEZVDKEMGCOLS-QMMMGPOBSA-N 0 0 183.255 1.429 10 0 ADAERN 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/nfs/dbraw/zinc/34/68/10/572346810.db2.gz RTLLMTOXCXMUIZ-HYXAFXHYSA-N 0 0 172.268 1.868 10 0 ADAERN Cc1cc(C)c([C@@H]([NH3+])CO)c(C)c1O 214814216 572346821 /nfs/dbraw/zinc/34/68/21/572346821.db2.gz SGDSMBVTDSOYJV-VIFPVBQESA-N 0 0 195.262 1.310 10 0 ADAERN CCC(=O)OC(C)(C)C[C@@H](C)O 238217580 572346837 /nfs/dbraw/zinc/34/68/37/572346837.db2.gz PLVJTDLRXAOMLG-SSDOTTSWSA-N 0 0 174.240 1.489 10 0 ADAERN CC(C)(C)SCCC(CO)CO 308004343 572376907 /nfs/dbraw/zinc/37/69/07/572376907.db2.gz KELIDOICNVTPGF-UHFFFAOYSA-N 0 0 192.324 1.509 10 0 ADAERN NOCc1cc2cc(F)ccc2o1 258049049 573506219 /nfs/dbraw/zinc/50/62/19/573506219.db2.gz FQYPQGCUQIFZNV-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN C[C@H](CO)CC(=O)C1CCCC1 308004415 572378113 /nfs/dbraw/zinc/37/81/13/572378113.db2.gz KHWLLCMRLULFEP-QMMMGPOBSA-N 0 0 170.252 1.764 10 0 ADAERN CCCn1nccc1[C@@H](C)[C@@H](C)O 87141868 572378121 /nfs/dbraw/zinc/37/81/21/572378121.db2.gz AHJGQCLXDHVPGV-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN CC(C)C(=O)c1cccnn1 107324924 573506239 /nfs/dbraw/zinc/50/62/39/573506239.db2.gz MHZBZEFURFETHE-UHFFFAOYSA-N 0 0 150.181 1.315 10 0 ADAERN CCC[C@H](CCC(N)=O)C(C)=O 238224428 572379510 /nfs/dbraw/zinc/37/95/10/572379510.db2.gz WPTVHBVQQBWMFG-MRVPVSSYSA-N 0 0 171.240 1.257 10 0 ADAERN CCOC(=O)c1nn(C(C)C)cc1N 308399864 573506252 /nfs/dbraw/zinc/50/62/52/573506252.db2.gz GLPASDRCHLGREZ-UHFFFAOYSA-N 0 0 197.238 1.223 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@H]1C 308400435 573506258 /nfs/dbraw/zinc/50/62/58/573506258.db2.gz GUQZRGWYGVFAOL-DJLDLDEBSA-N 0 0 183.251 1.032 10 0 ADAERN Cc1ccc(/C=C/C(N)=O)c(O)c1 44259982 572379620 /nfs/dbraw/zinc/37/96/20/572379620.db2.gz PNIXMKJAUZZCRY-SNAWJCMRSA-N 0 0 177.203 1.199 10 0 ADAERN CO[C@@H](C)c1nc(CCO)cs1 308005155 572379640 /nfs/dbraw/zinc/37/96/40/572379640.db2.gz KUTMBPPUQZFCFH-LURJTMIESA-N 0 0 187.264 1.385 10 0 ADAERN CCOC(=O)[C@H]1CCC(=O)[C@H](F)C1 207602992 572379645 /nfs/dbraw/zinc/37/96/45/572379645.db2.gz UNBKJAYBXIHEBK-NKWVEPMBSA-N 0 0 188.198 1.257 10 0 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573506469 /nfs/dbraw/zinc/50/64/69/573506469.db2.gz KOTSWRNPCXISNF-ZETCQYMHSA-N 0 0 184.210 1.930 10 0 ADAERN Cc1ccc2c(ccn2CC(N)=O)c1 75233363 573506474 /nfs/dbraw/zinc/50/64/74/573506474.db2.gz QIJCKMFRRLESMW-UHFFFAOYSA-N 0 0 188.230 1.435 10 0 ADAERN Cc1cn2c(n1)CCC[C@H]2CO 258049381 573506479 /nfs/dbraw/zinc/50/64/79/573506479.db2.gz AHZGEGVCDUAKQK-QMMMGPOBSA-N 0 0 166.224 1.061 10 0 ADAERN CO[C@]12CCCC[C@@H]1[C@@H](C)C2=O 238419063 573506480 /nfs/dbraw/zinc/50/64/80/573506480.db2.gz NAESWOBVJXIPTN-NQMVMOMDSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@H](O)C[C@@H]1CCC(C)(C)C[C@@H]1O 717459343 573506511 /nfs/dbraw/zinc/50/65/11/573506511.db2.gz ZXEDRFPHWQOYSW-GUBZILKMSA-N 0 0 186.295 1.945 10 0 ADAERN OC[C@H](c1cccs1)C1COC1 258715602 573506521 /nfs/dbraw/zinc/50/65/21/573506521.db2.gz ZDOWUADTCGOVAY-QMMMGPOBSA-N 0 0 184.260 1.470 10 0 ADAERN CC(=O)[C@@H](C)c1nc(C)c(C)c(N)n1 238419638 573506525 /nfs/dbraw/zinc/50/65/25/573506525.db2.gz VMRQZXPGABVSNC-ZCFIWIBFSA-N 0 0 193.250 1.368 10 0 ADAERN 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ZJCIQLKJOXQRRB-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN CCC[C@H]1C[C@@]1(N)C(=O)OCC 238229110 572396232 /nfs/dbraw/zinc/39/62/32/572396232.db2.gz RPWAUZZCSAJEGH-CBAPKCEASA-N 0 0 171.240 1.067 10 0 ADAERN Cc1c(N)c2ccc(O)cc2n1C 76601433 572396242 /nfs/dbraw/zinc/39/62/42/572396242.db2.gz QRZJQBLFXIDDKN-UHFFFAOYSA-N 0 0 176.219 1.775 10 0 ADAERN CC(=O)[C@@H](C)[C@@H](CC(N)=O)C(C)C 238226735 572396247 /nfs/dbraw/zinc/39/62/47/572396247.db2.gz ICFDMFYIYWTMMV-APPZFPTMSA-N 0 0 185.267 1.359 10 0 ADAERN CCCCOCOC[C@@H](C)O 238229244 572396259 /nfs/dbraw/zinc/39/62/59/572396259.db2.gz YELXBEBISLQGQJ-MRVPVSSYSA-N 0 0 162.229 1.158 10 0 ADAERN CCCCOCO[C@H](C)[C@@H](C)O 238229334 572396263 /nfs/dbraw/zinc/39/62/63/572396263.db2.gz KGOQVRQORYUWEN-RKDXNWHRSA-N 0 0 176.256 1.547 10 0 ADAERN CCC(CC)[C@@H](O)[C@@H](C)OC 87169760 572396278 /nfs/dbraw/zinc/39/62/78/572396278.db2.gz PHYYMXJSIDYBNL-APPZFPTMSA-N 0 0 160.257 1.818 10 0 ADAERN CC(C)CNc1nnco1 107324248 573507242 /nfs/dbraw/zinc/50/72/42/573507242.db2.gz FRVLBIBFRRVVMC-UHFFFAOYSA-N 0 0 141.174 1.138 10 0 ADAERN C[C@@H]1C[N@@H+]([C@@H]2CCCC(=O)C2)CCO1 86599878 573507243 /nfs/dbraw/zinc/50/72/43/573507243.db2.gz CILJDBIDFSDBNK-NXEZZACHSA-N 0 0 197.278 1.219 10 0 ADAERN Nc1ccnc2cc(C3CCC3)nn12 259479222 573507248 /nfs/dbraw/zinc/50/72/48/573507248.db2.gz ONDORLDHSREQJW-UHFFFAOYSA-N 0 0 188.234 1.579 10 0 ADAERN CCC(=O)[C@H](C)[C@@H](C)NC(=O)OC 238231308 572401625 /nfs/dbraw/zinc/40/16/25/572401625.db2.gz FFCHNBMHSUSFRZ-RNFRBKRXSA-N 0 0 187.239 1.346 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@H]1CC1CCC1 214906199 573507253 /nfs/dbraw/zinc/50/72/53/573507253.db2.gz OMPLEKXYQCDJLE-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN CCCC[C@@H](O)C[C@H]1CCC(=O)N1 238794219 572414459 /nfs/dbraw/zinc/41/44/59/572414459.db2.gz ILBYZELGOHLHIF-RKDXNWHRSA-N 0 0 185.267 1.206 10 0 ADAERN C[C@H]1C=C([C@@H]([NH3+])C(=O)[O-])CC(C)(C)C1 238419085 573507266 /nfs/dbraw/zinc/50/72/66/573507266.db2.gz MDPOPCULSBFZGT-IONNQARKSA-N 0 0 197.278 1.781 10 0 ADAERN CC[C@H]1CCC[C@](O)(C(N)=O)CC1 83436711 573507268 /nfs/dbraw/zinc/50/72/68/573507268.db2.gz ITXPOANVRCDDKO-WCBMZHEXSA-N 0 0 185.267 1.193 10 0 ADAERN CC(C)[C@H]1CCC[C@](O)(C(N)=O)CC1 83438211 573507289 /nfs/dbraw/zinc/50/72/89/573507289.db2.gz ZVEGUEUHAMOOFB-GXSJLCMTSA-N 0 0 199.294 1.439 10 0 ADAERN C[C@@H]1C[C@@]1(C)C[C@H]1CCC(=O)N1 714704378 573507297 /nfs/dbraw/zinc/50/72/97/573507297.db2.gz CLQUEXWLZXIDEF-MRTMQBJTSA-N 0 0 167.252 1.701 10 0 ADAERN CCC[C@H](N)c1nc([C@H]2C[C@@H]2C)no1 83805246 572418762 /nfs/dbraw/zinc/41/87/62/572418762.db2.gz GUGUAMQTAYEZNT-FXQIFTODSA-N 0 0 195.266 1.993 10 0 ADAERN Cc1nc(NC2CSC2)oc1C 76628924 572418766 /nfs/dbraw/zinc/41/87/66/572418766.db2.gz JRWRPYFAMTWMMA-UHFFFAOYSA-N 0 0 184.264 1.819 10 0 ADAERN CCCn1ccnc1[C@H](O)[C@H]1C[C@@H]1C 83807395 572418775 /nfs/dbraw/zinc/41/87/75/572418775.db2.gz WSUQXHSJQCZYNJ-LPEHRKFASA-N 0 0 194.278 1.983 10 0 ADAERN CC[C@H](C)C[C@H](O)c1ncc[nH]1 87339701 572418778 /nfs/dbraw/zinc/41/87/78/572418778.db2.gz HKUGQSYCYCQBOY-YUMQZZPRSA-N 0 0 168.240 1.879 10 0 ADAERN Cc1cc([C@@H](C)CO)c(F)cc1O 258047873 573507315 /nfs/dbraw/zinc/50/73/15/573507315.db2.gz KLDNRYSEACIQIW-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN CO[C@H](C)c1nc(Cl)n[nH]1 86591936 573507323 /nfs/dbraw/zinc/50/73/23/573507323.db2.gz KONCVHFAKVBHGF-GSVOUGTGSA-N 0 0 161.592 1.166 10 0 ADAERN C/C=C/C(=O)N(C)C[C@@H]1C[C@H]1C 87333802 572418788 /nfs/dbraw/zinc/41/87/88/572418788.db2.gz BQGWYRHEOCUZQB-VJIGKBMESA-N 0 0 167.252 1.677 10 0 ADAERN COC[C@@]1(C)Cc2cccc(O)c2N1 258048900 573507335 /nfs/dbraw/zinc/50/73/35/573507335.db2.gz FOEURDODZJVBSS-LLVKDONJSA-N 0 0 193.246 1.765 10 0 ADAERN CC(C)Cc1nnc2ccc(O)cn12 258050735 573511957 /nfs/dbraw/zinc/51/19/57/573511957.db2.gz SYJJGHCRVZFPHP-UHFFFAOYSA-N 0 0 191.234 1.633 10 0 ADAERN Cc1nccn1[C@@H]1CCC[C@@H](O)C1 86602850 573511959 /nfs/dbraw/zinc/51/19/59/573511959.db2.gz NLUBYXIKGFBVEZ-NXEZZACHSA-N 0 0 180.251 1.668 10 0 ADAERN Oc1cc(F)cc2c1CCN2 107325822 573511967 /nfs/dbraw/zinc/51/19/67/573511967.db2.gz AYDUPNNAWLEXFZ-UHFFFAOYSA-N 0 0 153.156 1.499 10 0 ADAERN C=C(C)C[NH+]1CC([C@@H](C)C(=O)[O-])C1 130187638 573511991 /nfs/dbraw/zinc/51/19/91/573511991.db2.gz KSUUFSVLIIPZIL-MRVPVSSYSA-N 0 0 183.251 1.215 10 0 ADAERN C[C@H](C(=O)[O-])C1(F)CC[NH+](C)CC1 257821950 573512005 /nfs/dbraw/zinc/51/20/05/573512005.db2.gz GEPZDLJLNXOQCE-SSDOTTSWSA-N 0 0 189.230 1.141 10 0 ADAERN COC(=O)N(C)CCc1ccc[nH]1 258718954 573512007 /nfs/dbraw/zinc/51/20/07/573512007.db2.gz HUSDGTBNXSCYQX-UHFFFAOYSA-N 0 0 182.223 1.255 10 0 ADAERN C/C=C/[C@H](C)[C@@H](C)C(N)=O 211871510 573512034 /nfs/dbraw/zinc/51/20/34/573512034.db2.gz UPQRNZUYMQQXES-LYNIJRAASA-N 0 0 141.214 1.320 10 0 ADAERN CC[C@@H]([C@@H](CC)C(=O)[O-])[NH+](C)C 259481932 573512046 /nfs/dbraw/zinc/51/20/46/573512046.db2.gz KQPUICLVNYQXAC-SFYZADRCSA-N 0 0 173.256 1.437 10 0 ADAERN C[N@@H+]1Cc2[n-]n(C(C)(C)C)c(=O)c2C1 257823762 573512098 /nfs/dbraw/zinc/51/20/98/573512098.db2.gz 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/nfs/dbraw/zinc/43/73/30/572437330.db2.gz XCVPRWQMOQGONP-WUWIAWFRSA-N 0 0 185.267 1.230 10 0 ADAERN Cc1coc(-c2[nH]nc(Cl)c2N)n1 74236538 572437335 /nfs/dbraw/zinc/43/73/35/572437335.db2.gz XDYWADPFEXMWPS-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN CCC1=CC[N@H+](CCOCCO)CC1 238240472 572437362 /nfs/dbraw/zinc/43/73/62/572437362.db2.gz NOGCBDYXYBUQNR-UHFFFAOYSA-N 0 0 199.294 1.037 10 0 ADAERN COc1c(N)c(C(F)F)c[nH]c1=O 238422017 573512191 /nfs/dbraw/zinc/51/21/91/573512191.db2.gz MKUHXBFWOIUSBP-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COc1ccc2cc(CON)[nH]c2c1 76635346 572437397 /nfs/dbraw/zinc/43/73/97/572437397.db2.gz OTNFVVPLBOZULL-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN Nc1cccc2nnc(-c3cc[nH]c3)n12 74236225 572437398 /nfs/dbraw/zinc/43/73/98/572437398.db2.gz DTGUCSIXSHPRBP-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN Nc1c(Cl)n[nH]c1Cc1cocn1 74236541 572437411 /nfs/dbraw/zinc/43/74/11/572437411.db2.gz YGGJRMRHRBVEBK-UHFFFAOYSA-N 0 0 198.613 1.224 10 0 ADAERN Nc1ccc2c(c1)ncn2-c1cc[nH]n1 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10 0 ADAERN CC(C)C[C@](C[NH3+])(CF)C(=O)[O-] 257824007 573512628 /nfs/dbraw/zinc/51/26/28/573512628.db2.gz GOOQSVCQZLDJES-MRVPVSSYSA-N 0 0 177.219 1.032 10 0 ADAERN O=Cc1cc(Cc2cscn2)[nH]n1 74248336 572505448 /nfs/dbraw/zinc/50/54/48/572505448.db2.gz FHGAYXQTDLLCIN-UHFFFAOYSA-N 0 0 193.231 1.270 10 0 ADAERN C[N@H+]1C[C@H]2C[C@H](C(=O)[O-])CC[C@H]2C1 250643150 572505455 /nfs/dbraw/zinc/50/54/55/572505455.db2.gz UKOPENVEJWEPCX-HRDYMLBCSA-N 0 0 183.251 1.049 10 0 ADAERN C=Cc1cncc(C(=O)OCC)c1 238275316 572505527 /nfs/dbraw/zinc/50/55/27/572505527.db2.gz SXDREQJASYVWOH-UHFFFAOYSA-N 0 0 177.203 1.901 10 0 ADAERN CCO[C@H](Cc1ccccc1)C(N)=O 238290408 572532697 /nfs/dbraw/zinc/53/26/97/572532697.db2.gz DSEMZBZLMVWJLH-SNVBAGLBSA-N 0 0 193.246 1.120 10 0 ADAERN Cc1nccc(-c2oncc2C=O)n1 74276589 572532720 /nfs/dbraw/zinc/53/27/20/572532720.db2.gz FOWRWZCRSVXNSG-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN CCOC(=O)Sc1nc(C)c[nH]1 238293251 572532747 /nfs/dbraw/zinc/53/27/47/572532747.db2.gz HLNPPWFKUGTTDM-UHFFFAOYSA-N 0 0 186.236 1.967 10 0 ADAERN CC[C@H](C(=O)OC)[C@H](N)C(F)(F)F 238294887 572532750 /nfs/dbraw/zinc/53/27/50/572532750.db2.gz AUUUFOPUFZMSME-WHFBIAKZSA-N 0 0 199.172 1.075 10 0 ADAERN CC1(C)CCc2ncnc(C=O)c2C1 74274309 572532791 /nfs/dbraw/zinc/53/27/91/572532791.db2.gz VPPNPRODEGSUQP-UHFFFAOYSA-N 0 0 190.246 1.804 10 0 ADAERN CC[C@](C)(O)CC[C@H](O)C(C)(C)O 238290640 572532797 /nfs/dbraw/zinc/53/27/97/572532797.db2.gz SMHYBCKNKBWVFT-WPRPVWTQSA-N 0 0 190.283 1.059 10 0 ADAERN O=C1CNCc2[nH]c3c(c21)CCCC3 74274214 572532811 /nfs/dbraw/zinc/53/28/11/572532811.db2.gz OKOKJSYGBRDRDM-UHFFFAOYSA-N 0 0 190.246 1.179 10 0 ADAERN COc1cc(C=O)c2c(c1)CC(=O)N2 74273672 572532815 /nfs/dbraw/zinc/53/28/15/572532815.db2.gz XNOQTUQQKFYASA-UHFFFAOYSA-N 0 0 191.186 1.002 10 0 ADAERN Nc1c(-c2nccs2)cc[nH]c1=O 74248313 572507234 /nfs/dbraw/zinc/50/72/34/572507234.db2.gz YSAGBRLCLCMKEE-UHFFFAOYSA-N 0 0 193.231 1.081 10 0 ADAERN Cc1scnc1-c1n[nH]cc1C=O 74248340 572507245 /nfs/dbraw/zinc/50/72/45/572507245.db2.gz DHIFVWFIFGZDEY-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN CC(=S)C[C@@H](C)O 307782124 572507264 /nfs/dbraw/zinc/50/72/64/572507264.db2.gz QTEIOSRUYBUXJD-OFWOHVDASA-N 0 0 118.201 1.201 10 0 ADAERN COc1ccc2c(n1)C[C@H](CO)CC2 74248155 572507276 /nfs/dbraw/zinc/50/72/76/572507276.db2.gz GTNVQXPSHPQUNN-MRVPVSSYSA-N 0 0 193.246 1.187 10 0 ADAERN Cc1ccnn1CCOC(F)(F)F 84178716 572507287 /nfs/dbraw/zinc/50/72/87/572507287.db2.gz PHCWSBDBMHNACF-UHFFFAOYSA-N 0 0 194.156 1.728 10 0 ADAERN CCSc1c[nH]c(C(=O)OC)c1 238293513 572532866 /nfs/dbraw/zinc/53/28/66/572532866.db2.gz GRETZZNNABJWDG-UHFFFAOYSA-N 0 0 185.248 1.913 10 0 ADAERN COC[C@](C)([NH3+])c1ccc(C)nc1 62949408 572521396 /nfs/dbraw/zinc/52/13/96/572521396.db2.gz AQGPPKFKWIDIRD-JTQLQIEISA-N 0 0 180.251 1.210 10 0 ADAERN C[C@@H](c1cc[nH]n1)[C@H](N)c1ncco1 74269708 572521408 /nfs/dbraw/zinc/52/14/08/572521408.db2.gz BISCUVAPQOEKQF-XPUUQOCRSA-N 0 0 192.222 1.201 10 0 ADAERN CCn1nc(C)cc1CC(=O)C(C)C 84263677 572521409 /nfs/dbraw/zinc/52/14/09/572521409.db2.gz DZSLFGMBKRVWJF-UHFFFAOYSA-N 0 0 194.278 1.979 10 0 ADAERN CCC[C@H](O)Cc1cc(CC)nn1C 84262620 572521431 /nfs/dbraw/zinc/52/14/31/572521431.db2.gz DPTDWHQVCLZMPF-NSHDSACASA-N 0 0 196.294 1.686 10 0 ADAERN CC(=O)[C@]1(O)C=C(C)C[C@@H](C)C1 238423147 573513231 /nfs/dbraw/zinc/51/32/31/573513231.db2.gz SENQXUSMUAFRLR-SCZZXKLOSA-N 0 0 168.236 1.683 10 0 ADAERN Cc1nc(-c2oncc2N)c(C)n1C 74269877 572521449 /nfs/dbraw/zinc/52/14/49/572521449.db2.gz MCQIGCNOXYOOEI-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN C/C=C/C[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 62936050 572521464 /nfs/dbraw/zinc/52/14/64/572521464.db2.gz AULIWTVFRRCVRR-HMDXOVGESA-N 0 0 183.251 1.359 10 0 ADAERN C[C@@]12CCC(=O)[C@@H](C1)OC2 238422357 573513247 /nfs/dbraw/zinc/51/32/47/573513247.db2.gz ZESXIDWWBVGZRU-HTQZYQBOSA-N 0 0 140.182 1.145 10 0 ADAERN CC(C)Oc1cnoc1 258722094 573513255 /nfs/dbraw/zinc/51/32/55/573513255.db2.gz VMJULPPLDXQLMB-UHFFFAOYSA-N 0 0 127.143 1.462 10 0 ADAERN C=C/C(=C/C)[C@@H](NCC)C(=O)OC 238284412 572521666 /nfs/dbraw/zinc/52/16/66/572521666.db2.gz BNGJPMHEEZOZSS-JGAIRUGNSA-N 0 0 183.251 1.270 10 0 ADAERN CCc1c[nH]c(C2(CO)CCC2)n1 259110999 573513271 /nfs/dbraw/zinc/51/32/71/573513271.db2.gz OYLMTTIAVLDWSK-UHFFFAOYSA-N 0 0 180.251 1.386 10 0 ADAERN CCOC(=O)N[C@H](CO)[C@@H](C)CC 238284891 572521737 /nfs/dbraw/zinc/52/17/37/572521737.db2.gz CZRWRPZMYCNARB-JGVFFNPUSA-N 0 0 189.255 1.140 10 0 ADAERN CC[C@@H](O)c1ccc(C)nc1 62949571 572521753 /nfs/dbraw/zinc/52/17/53/572521753.db2.gz JYIMDKQHWAVXQD-SECBINFHSA-N 0 0 151.209 1.833 10 0 ADAERN C[C@H](O)C1C=CC=CC=C1 238422256 573513288 /nfs/dbraw/zinc/51/32/88/573513288.db2.gz NISJYCPPDLDRLJ-QMMMGPOBSA-N 0 0 136.194 1.666 10 0 ADAERN COc1c(C(F)F)cnc(F)c1N 238423191 573513295 /nfs/dbraw/zinc/51/32/95/573513295.db2.gz IVTRUBBYRNZXPL-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CC(C)[NH2+]C[C@@H]1CCCC[C@@H]1C(=O)[O-] 84306774 572524283 /nfs/dbraw/zinc/52/42/83/572524283.db2.gz CRVKPKSMTZTONT-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]1C[NH2+]CC1CC1 84307764 572524286 /nfs/dbraw/zinc/52/42/86/572524286.db2.gz WUXMGQJVJWBLTA-ZJUUUORDSA-N 0 0 197.278 1.487 10 0 ADAERN CCC[NH2+]C[C@@H]1CCC[C@H]1C(=O)[O-] 84307433 572524371 /nfs/dbraw/zinc/52/43/71/572524371.db2.gz GPPHIGDNAYKZHQ-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN C=C=C(C(=O)OCC)[C@@H](O)C(C)C 238287135 572524426 /nfs/dbraw/zinc/52/44/26/572524426.db2.gz JBPLBTRLVSSJGJ-VIFPVBQESA-N 0 0 184.235 1.278 10 0 ADAERN CC(C)C[N@@H+]1CC2CC(C2)[C@@H]1C(=O)[O-] 257823746 573513308 /nfs/dbraw/zinc/51/33/08/573513308.db2.gz GQKQJZFMJTUKEH-UDNWOFFPSA-N 0 0 197.278 1.437 10 0 ADAERN COC(=O)CCC1=N[C@@H]2CCC[C@@H]2O1 259482418 573513310 /nfs/dbraw/zinc/51/33/10/573513310.db2.gz AMTQANKIMRYLTC-SFYZADRCSA-N 0 0 197.234 1.289 10 0 ADAERN Cc1ncn([C@@H]2CCC[C@H](O)C2)c1C 86603050 573513312 /nfs/dbraw/zinc/51/33/12/573513312.db2.gz DOUGFANODZXIAC-MNOVXSKESA-N 0 0 194.278 1.976 10 0 ADAERN Cc1nccn1[C@H]1CCCC(=O)C1 86601595 573513774 /nfs/dbraw/zinc/51/37/74/573513774.db2.gz XEHUIBVRQPPVJO-VIFPVBQESA-N 0 0 178.235 1.876 10 0 ADAERN C[C@@]12CCC(=O)NC=C1CCCC2=O 238422048 573513775 /nfs/dbraw/zinc/51/37/75/573513775.db2.gz VKMNJJVTQGRMFE-LLVKDONJSA-N 0 0 193.246 1.540 10 0 ADAERN O=C(Nc1ccccc1)C1(CO)CC1 258722469 573513799 /nfs/dbraw/zinc/51/37/99/573513799.db2.gz LVQKVTSDYSSZHO-UHFFFAOYSA-N 0 0 191.230 1.398 10 0 ADAERN COc1cc([C@H](N)C(F)(F)F)c[nH]1 238422869 573513801 /nfs/dbraw/zinc/51/38/01/573513801.db2.gz SDPZXNQBGCIHML-LURJTMIESA-N 0 0 194.156 1.585 10 0 ADAERN CCCN(Cc1ccc(N)cn1)OC 308602483 573513803 /nfs/dbraw/zinc/51/38/03/573513803.db2.gz VHZJUYFCYQEHSK-UHFFFAOYSA-N 0 0 195.266 1.437 10 0 ADAERN C[C@@H]([NH3+])c1cc(F)cc(O)c1N 238422243 573513831 /nfs/dbraw/zinc/51/38/31/573513831.db2.gz WUSRHQAYPYCWFU-SCSAIBSYSA-N 0 0 170.187 1.133 10 0 ADAERN Cc1cc(C)n([C@H]2CCC[C@H](O)C2)n1 86602865 573513833 /nfs/dbraw/zinc/51/38/33/573513833.db2.gz AWPIIONHJHMUIE-QWRGUYRKSA-N 0 0 194.278 1.976 10 0 ADAERN Cc1cnn([C@H]2CCCC(=O)C2)c1 86601615 573513841 /nfs/dbraw/zinc/51/38/41/573513841.db2.gz FQGYSGVUISVGFZ-VIFPVBQESA-N 0 0 178.235 1.876 10 0 ADAERN CCc1nccn1[C@@H]1CCC[C@@H](O)C1 86603037 573513881 /nfs/dbraw/zinc/51/38/81/573513881.db2.gz OXEPJVUIEMWZGI-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN CN1CC2(CCCCC2)OC(=O)N1 257824004 573513895 /nfs/dbraw/zinc/51/38/95/573513895.db2.gz GOJLGCOZKZRWKU-UHFFFAOYSA-N 0 0 184.239 1.276 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](CC(=O)[O-])C1 84380999 572535349 /nfs/dbraw/zinc/53/53/49/572535349.db2.gz QPOYFHDADMPYIT-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](C(=O)[O-])C1(F)CC[NH+](C)CC1 257821952 573513901 /nfs/dbraw/zinc/51/39/01/573513901.db2.gz GEPZDLJLNXOQCE-ZETCQYMHSA-N 0 0 189.230 1.141 10 0 ADAERN Cn1nc2cccc(O)c2c1Cl 250802158 572535432 /nfs/dbraw/zinc/53/54/32/572535432.db2.gz HGSGPVHGPDNFJD-UHFFFAOYSA-N 0 0 182.610 1.932 10 0 ADAERN COC(=O)[C@H](F)[C@@H](O)c1ccccc1 257821867 573513926 /nfs/dbraw/zinc/51/39/26/573513926.db2.gz GBDRELUXCIXYNN-BDAKNGLRSA-N 0 0 198.193 1.231 10 0 ADAERN Cc1nccn1[C@H]1CCC[C@H](O)C1 86602848 573513927 /nfs/dbraw/zinc/51/39/27/573513927.db2.gz NLUBYXIKGFBVEZ-UWVGGRQHSA-N 0 0 180.251 1.668 10 0 ADAERN O=C1CCCN[C@H]1c1cccc(O)c1 257823761 573513932 /nfs/dbraw/zinc/51/39/32/573513932.db2.gz GQZITUSAVYTRNY-NSHDSACASA-N 0 0 191.230 1.386 10 0 ADAERN CC(C)(C)[NH2+]CC1(C(=O)[O-])CC1 258728085 573513934 /nfs/dbraw/zinc/51/39/34/573513934.db2.gz UVAQPPJOIAMLIT-UHFFFAOYSA-N 0 0 171.240 1.239 10 0 ADAERN [NH3+][C@@H]1CC[C@]2(C(=O)[O-])CCCC[C@@H]2C1 250807694 572535687 /nfs/dbraw/zinc/53/56/87/572535687.db2.gz CTUVJPLBSPHRSL-FXPVBKGRSA-N 0 0 197.278 1.759 10 0 ADAERN CC(C)CCN1CCC[NH2+][C@H](C)C1=O 63215041 572535731 /nfs/dbraw/zinc/53/57/31/572535731.db2.gz OQABNSQMUIKQDX-SNVBAGLBSA-N 0 0 198.310 1.243 10 0 ADAERN Nc1nonc1-c1cc2n(c1)CCC2 74274868 572535788 /nfs/dbraw/zinc/53/57/88/572535788.db2.gz VCNIDILHSOIZSO-UHFFFAOYSA-N 0 0 190.206 1.067 10 0 ADAERN CCOC(=O)/C=C/C1=COCCC1 238293543 572535791 /nfs/dbraw/zinc/53/57/91/572535791.db2.gz NOJJKETXVOBQND-AATRIKPKSA-N 0 0 182.219 1.800 10 0 ADAERN O=C([O-])C[C@@H]1CC[N@H+](CC2CC2)C1 84380678 572535792 /nfs/dbraw/zinc/53/57/92/572535792.db2.gz DFBYYPQLEVCQKP-VIFPVBQESA-N 0 0 183.251 1.193 10 0 ADAERN Cn1nc2cc(O)ccc2c1Cl 250799222 572535810 /nfs/dbraw/zinc/53/58/10/572535810.db2.gz BLVQMSWDJBKMLD-UHFFFAOYSA-N 0 0 182.610 1.932 10 0 ADAERN O=C([O-])C[C@H]1CC[N@H+](CCC2CC2)C1 84380652 572535835 /nfs/dbraw/zinc/53/58/35/572535835.db2.gz HBHTVTZLJMJLLC-SNVBAGLBSA-N 0 0 197.278 1.583 10 0 ADAERN Cc1cc(N)nc(-c2cnc(C)o2)n1 74274734 572535836 /nfs/dbraw/zinc/53/58/36/572535836.db2.gz YHLTUYPHNDPZIV-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H](C[NH3+])C(C)C 238294718 572535837 /nfs/dbraw/zinc/53/58/37/572535837.db2.gz HCYIXNYQSGYKIC-JGVFFNPUSA-N 0 0 173.256 1.328 10 0 ADAERN Cc1cc(C)n(-c2coc(C=O)c2)n1 74275118 572535847 /nfs/dbraw/zinc/53/58/47/572535847.db2.gz OVFYTMFEQDKTQE-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN CC[C@@](C)(O)[C@H](N)c1nc(C)co1 74283450 572536083 /nfs/dbraw/zinc/53/60/83/572536083.db2.gz UXXFEZZKABHQFL-VXNVDRBHSA-N 0 0 184.239 1.144 10 0 ADAERN CSCC[C@H]([NH3+])c1cc(=O)[n-]o1 74276975 572536093 /nfs/dbraw/zinc/53/60/93/572536093.db2.gz COIDOAZELUWKFS-YFKPBYRVSA-N 0 0 188.252 1.133 10 0 ADAERN Cc1ncnc(C)c1-c1oncc1N 74274716 572537152 /nfs/dbraw/zinc/53/71/52/572537152.db2.gz PIDKBJBCDSIXFA-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN O=Cc1c[nH]nc1CCc1ccco1 74275000 572537201 /nfs/dbraw/zinc/53/72/01/572537201.db2.gz WUAVLKNXSSRTNF-UHFFFAOYSA-N 0 0 190.202 1.600 10 0 ADAERN Cc1cc(N[C@@H](C)CO)c(N)cc1F 235134460 572537213 /nfs/dbraw/zinc/53/72/13/572537213.db2.gz MTIOFFNGCMMUFQ-ZETCQYMHSA-N 0 0 198.241 1.509 10 0 ADAERN Cc1ncc(Cc2c[nH]cc2C=O)o1 74275094 572537215 /nfs/dbraw/zinc/53/72/15/572537215.db2.gz NIFIWROQWZUMRE-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN CS[C@@H]1CC[C@H]([NH2+]CCF)C1 235137325 572537239 /nfs/dbraw/zinc/53/72/39/572537239.db2.gz XZASDQZGUZWDHW-JGVFFNPUSA-N 0 0 177.288 1.830 10 0 ADAERN CCOC(=O)/C=C/C=C/C[C@H](C)O 238293605 572537259 /nfs/dbraw/zinc/53/72/59/572537259.db2.gz YZFXRSCYSMCVPG-ISJGHWAYSA-N 0 0 184.235 1.433 10 0 ADAERN CCCNc1ncc(N)cc1OCC 76982785 572538083 /nfs/dbraw/zinc/53/80/83/572538083.db2.gz KDZHLLSFUSMFNU-UHFFFAOYSA-N 0 0 195.266 1.884 10 0 ADAERN CO[C@@H]1CCC[C@]2(C[C@@H]2CO)C1 234762541 572544879 /nfs/dbraw/zinc/54/48/79/572544879.db2.gz ZGPXSCCTJXWBBO-BBBLOLIVSA-N 0 0 170.252 1.574 10 0 ADAERN CCc1nccn1[C@H]1CCC[C@@H](O)C1 86603040 573513979 /nfs/dbraw/zinc/51/39/79/573513979.db2.gz OXEPJVUIEMWZGI-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN CC(C)CO[C@H]1CCC[C@@H](O)C1 86603518 573513990 /nfs/dbraw/zinc/51/39/90/573513990.db2.gz NFNWAXOQEPKNET-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CC(=O)C1(c2ccccc2C)COC1 258500322 573514009 /nfs/dbraw/zinc/51/40/09/573514009.db2.gz DTXXCVZVEQQLLV-UHFFFAOYSA-N 0 0 190.242 1.852 10 0 ADAERN CCCO[C@H]1CCCC(=O)C1 86603633 573514018 /nfs/dbraw/zinc/51/40/18/573514018.db2.gz LRJBENDNJWGRSE-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN O=C(OCCC1CC1)c1ccc[nH]1 308396612 573514028 /nfs/dbraw/zinc/51/40/28/573514028.db2.gz FBXGHOGPQCWTNM-UHFFFAOYSA-N 0 0 179.219 1.972 10 0 ADAERN CC[C@@](C)(O)CNc1cccc(N)c1 83461788 573514033 /nfs/dbraw/zinc/51/40/33/573514033.db2.gz RQCKKGMWTQTXFY-LLVKDONJSA-N 0 0 194.278 1.842 10 0 ADAERN C[C@H](O)c1ccc2c(c1)nnn2C 258050562 573514039 /nfs/dbraw/zinc/51/40/39/573514039.db2.gz RJNCDKUBDIJCHP-LURJTMIESA-N 0 0 177.207 1.022 10 0 ADAERN CCn1cnc(CC(C)=O)c1 107325484 573514056 /nfs/dbraw/zinc/51/40/56/573514056.db2.gz CECSYGGEPAVPCR-UHFFFAOYSA-N 0 0 152.197 1.035 10 0 ADAERN COc1nccc(C(F)F)c1C=O 238423339 573514060 /nfs/dbraw/zinc/51/40/60/573514060.db2.gz OPZPTMQBVYUGHI-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CC(C)CC[C@@H](NN)c1ccnnc1 130292747 573514069 /nfs/dbraw/zinc/51/40/69/573514069.db2.gz MFPCJTXRBOMUJJ-SNVBAGLBSA-N 0 0 194.282 1.417 10 0 ADAERN C[C@@H]1O[C@]1(CO)C(C)(C)C 238424336 573519075 /nfs/dbraw/zinc/51/90/75/573519075.db2.gz VNDGLBVFBBIJQH-XPUUQOCRSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1ccsc1N(C)C(=O)CCO 258731709 573518671 /nfs/dbraw/zinc/51/86/71/573518671.db2.gz FCBAZGVSASOEOY-UHFFFAOYSA-N 0 0 199.275 1.402 10 0 ADAERN COc1c(N)cc(C)nc1C(F)F 238424508 573518684 /nfs/dbraw/zinc/51/86/84/573518684.db2.gz ATANKHGLFYMGKD-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN Cc1cnn([C@H]2CCC(=O)C2)c1 86618836 573518704 /nfs/dbraw/zinc/51/87/04/573518704.db2.gz RPYHTTYJPSPCFF-QMMMGPOBSA-N 0 0 164.208 1.486 10 0 ADAERN C[C@@H](O)C1=CC=CC=C([C@@H](C)O)C1 238424143 573518710 /nfs/dbraw/zinc/51/87/10/573518710.db2.gz AXESZXXNWLNNBK-RKDXNWHRSA-N 0 0 180.247 1.561 10 0 ADAERN C[C@@]1(O)CCNc2c(O)cccc21 257824065 573518712 /nfs/dbraw/zinc/51/87/12/573518712.db2.gz GRBHMDWEZXUCGF-SNVBAGLBSA-N 0 0 179.219 1.415 10 0 ADAERN O=Cc1ncc2ccc(F)cn12 107328050 573518713 /nfs/dbraw/zinc/51/87/13/573518713.db2.gz UACURFYGWIVEAM-UHFFFAOYSA-N 0 0 164.139 1.286 10 0 ADAERN Cn1cc(OC[C@H]2CCSC2)cn1 258731283 573518719 /nfs/dbraw/zinc/51/87/19/573518719.db2.gz VSVVBEPYHFTTPD-MRVPVSSYSA-N 0 0 198.291 1.552 10 0 ADAERN C[C@@]12CCC=C[C@@H]1C(=O)C2 238424578 573518733 /nfs/dbraw/zinc/51/87/33/573518733.db2.gz CYYFCXWSKGZCHC-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN C[NH2+][C@H](C1CCCC1)C1(C(=O)[O-])CC1 259486497 573518754 /nfs/dbraw/zinc/51/87/54/573518754.db2.gz QYXOHENQGZCCRH-SECBINFHSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@@H](O)C1=C(Cl)CCC[C@@H]1O 238423985 573518758 /nfs/dbraw/zinc/51/87/58/573518758.db2.gz WGEVWOFZOVQOQK-VDTYLAMSSA-N 0 0 176.643 1.405 10 0 ADAERN C[C@@H](O)C1=C(Cl)CCC[C@H]1O 238424000 573518807 /nfs/dbraw/zinc/51/88/07/573518807.db2.gz WGEVWOFZOVQOQK-IYSWYEEDSA-N 0 0 176.643 1.405 10 0 ADAERN C[C@@]12CCC=C1NC(=O)CC2 238424332 573518840 /nfs/dbraw/zinc/51/88/40/573518840.db2.gz QOSZNEAGFAXEKS-VIFPVBQESA-N 0 0 151.209 1.580 10 0 ADAERN CC(=O)c1cccc2n[nH]nc12 107327143 573518900 /nfs/dbraw/zinc/51/89/00/573518900.db2.gz KCTDLKNWRTWDEV-UHFFFAOYSA-N 0 0 161.164 1.161 10 0 ADAERN C[C@@H]1O[C@]1(C)[C@@H]1CCCCC1=O 238424255 573518909 /nfs/dbraw/zinc/51/89/09/573518909.db2.gz FBMYLWWGFIEVJR-XKSSXDPKSA-N 0 0 168.236 1.923 10 0 ADAERN CO[C@](C)(CO)c1ccc(C)cc1 257822697 573518931 /nfs/dbraw/zinc/51/89/31/573518931.db2.gz GFOMISMMIBMEBC-LLVKDONJSA-N 0 0 180.247 1.849 10 0 ADAERN C[C@@H](O)C1=CC(F)(F)C1(F)F 238424097 573518943 /nfs/dbraw/zinc/51/89/43/573518943.db2.gz MLJFSGPXIDFONN-GSVOUGTGSA-N 0 0 170.105 1.578 10 0 ADAERN Cc1scnc1-c1nc(N)no1 74300979 572615669 /nfs/dbraw/zinc/61/56/69/572615669.db2.gz URVAWEFAOLLIST-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CCCc1nnc([C@H]2CCSC2)[nH]1 69985478 572619092 /nfs/dbraw/zinc/61/90/92/572619092.db2.gz HEVVYEAUNPWYEN-ZETCQYMHSA-N 0 0 197.307 1.978 10 0 ADAERN CC[C@H](C)C[C@H]1CCC(=O)NC1=O 69974780 572619106 /nfs/dbraw/zinc/61/91/06/572619106.db2.gz NBOPRWQUVDTDEA-JGVFFNPUSA-N 0 0 183.251 1.475 10 0 ADAERN COc1ccccc1CNC(=O)S 258734782 573518946 /nfs/dbraw/zinc/51/89/46/573518946.db2.gz RNZXTHXHMFLNKN-UHFFFAOYSA-N 0 0 197.259 1.835 10 0 ADAERN C[NH2+][C@H](C1CCCC1)[C@@H]1C[C@@H]1C(=O)[O-] 259485086 573518947 /nfs/dbraw/zinc/51/89/47/573518947.db2.gz QXLODSDXCNZUFY-KXUCPTDWSA-N 0 0 197.278 1.485 10 0 ADAERN Cc1ncc2c(n1)C(=O)CCC2 107327624 573518950 /nfs/dbraw/zinc/51/89/50/573518950.db2.gz BKUGNDRELIXVBU-UHFFFAOYSA-N 0 0 162.192 1.304 10 0 ADAERN COCC(C)(C)NCc1ncoc1C 308605309 573518951 /nfs/dbraw/zinc/51/89/51/573518951.db2.gz PLFRLUKMUFEUIE-UHFFFAOYSA-N 0 0 198.266 1.498 10 0 ADAERN Cn1cncc1-c1nc2cc[nH]cc-2n1 236103662 572633131 /nfs/dbraw/zinc/63/31/31/572633131.db2.gz CCFNSTZWKTYQPJ-UHFFFAOYSA-N 0 0 199.217 1.358 10 0 ADAERN C[C@@H]([NH3+])c1onc2c(F)cccc12 257822703 573518966 /nfs/dbraw/zinc/51/89/66/573518966.db2.gz GFPVWUHWIYOPTH-RXMQYKEDSA-N 0 0 180.182 1.987 10 0 ADAERN Cc1coc(-c2cccnc2N)n1 74308839 572635446 /nfs/dbraw/zinc/63/54/46/572635446.db2.gz PTNFSJXSPSEGQU-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1ccc(-c2oncc2N)cn1 74308861 572635454 /nfs/dbraw/zinc/63/54/54/572635454.db2.gz SVYOMLMXUIFWFZ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CNc1cc(-c2cncc(F)c2)[nH]n1 234518669 572635455 /nfs/dbraw/zinc/63/54/55/572635455.db2.gz WYEOCXACQIRAKL-UHFFFAOYSA-N 0 0 192.197 1.653 10 0 ADAERN C[C@@H]1CC(CC(=O)[O-])C[C@@H](C)[NH2+]1 238423491 573518974 /nfs/dbraw/zinc/51/89/74/573518974.db2.gz NMRMLQPLZBZFPC-RNFRBKRXSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@@](C)(CO)CNc1cnccn1 308604929 573518975 /nfs/dbraw/zinc/51/89/75/573518975.db2.gz PIDGXCYTFSMGGR-SNVBAGLBSA-N 0 0 195.266 1.297 10 0 ADAERN COc1cc(C)cc(OC)c1CCO 238375562 572637094 /nfs/dbraw/zinc/63/70/94/572637094.db2.gz FTCPRGPRTRGDMC-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN C=C[C@](N)(OC)c1ccc(C=O)cc1 238376503 572637100 /nfs/dbraw/zinc/63/71/00/572637100.db2.gz ULFGELXQXNHECT-NSHDSACASA-N 0 0 191.230 1.443 10 0 ADAERN CC(C)(C)[C@H](CC[NH3+])C(=O)[O-] 115919737 572637109 /nfs/dbraw/zinc/63/71/09/572637109.db2.gz INGYQUXFTSEGEF-ZCFIWIBFSA-N 0 0 159.229 1.082 10 0 ADAERN Cn1cnc(-c2nc3cc[nH]cc-3n2)c1 236112347 572637112 /nfs/dbraw/zinc/63/71/12/572637112.db2.gz XFAIVYGZEYFZFF-UHFFFAOYSA-N 0 0 199.217 1.358 10 0 ADAERN COC(=O)C1(C2(C(C)C)COC2)CC1 258732811 573518988 /nfs/dbraw/zinc/51/89/88/573518988.db2.gz PLHMLBALARFZSS-UHFFFAOYSA-N 0 0 198.262 1.612 10 0 ADAERN CC(=O)c1cncn1C1CCC1 107328209 573518991 /nfs/dbraw/zinc/51/89/91/573518991.db2.gz REOISETUONATND-UHFFFAOYSA-N 0 0 164.208 1.811 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@@](C)(C(=O)[O-])C2CC2)C1 251822344 572650485 /nfs/dbraw/zinc/65/04/85/572650485.db2.gz ZWZGLQOUBQHHRL-LDYMZIIASA-N 0 0 197.278 1.582 10 0 ADAERN COc1c(O)ccc2c1CC(=O)CC2 714119119 572651903 /nfs/dbraw/zinc/65/19/03/572651903.db2.gz RJZCOWASFGWSDA-UHFFFAOYSA-N 0 0 192.214 1.459 10 0 ADAERN C/C=C\C[S@@](=O)CCOCC 307855927 572654326 /nfs/dbraw/zinc/65/43/26/572654326.db2.gz CMWFBOQDQGWDTH-USEMIUTHSA-N 0 0 176.281 1.348 10 0 ADAERN CCCOC(=O)CSC 70186815 572657792 /nfs/dbraw/zinc/65/77/92/572657792.db2.gz HNSGSWOUNJMQPD-UHFFFAOYSA-N 0 0 148.227 1.303 10 0 ADAERN CC(=O)[C@@H]1CCCc2ccnn21 107328328 573519041 /nfs/dbraw/zinc/51/90/41/573519041.db2.gz SAVYNTKZKHRYTF-VIFPVBQESA-N 0 0 164.208 1.350 10 0 ADAERN C[C@@H]1O[C@H]1[C@@H](O)C1CCCCC1 238423533 573519048 /nfs/dbraw/zinc/51/90/48/573519048.db2.gz UHNSGEXOTHKKDD-UJNFCWOMSA-N 0 0 170.252 1.715 10 0 ADAERN CC[C@H](C)[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 258740378 573519054 /nfs/dbraw/zinc/51/90/54/573519054.db2.gz WBXFUZYBBVAMDX-XLPZGREQSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@](C[NH3+])(CC(=O)[O-])C1CCCC1 85113635 572662600 /nfs/dbraw/zinc/66/26/00/572662600.db2.gz HMZXSBCXBFFAIM-SNVBAGLBSA-N 0 0 185.267 1.616 10 0 ADAERN O=Cc1scc2c1CCCN2 74335811 572662647 /nfs/dbraw/zinc/66/26/47/572662647.db2.gz PORMEQYDSRDBHI-UHFFFAOYSA-N 0 0 167.233 1.919 10 0 ADAERN Cc1nnc(CNc2ccccc2)[nH]1 48630595 572678180 /nfs/dbraw/zinc/67/81/80/572678180.db2.gz IPEODSWCMMQSDQ-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN C[C@@H](O)C1(O[C@H]2CCCCO2)CC1 238425185 573523465 /nfs/dbraw/zinc/52/34/65/573523465.db2.gz ULOSRRQYXYKCKQ-BDAKNGLRSA-N 0 0 186.251 1.443 10 0 ADAERN O=Cc1coc(N2CCCC2)n1 107329497 573523480 /nfs/dbraw/zinc/52/34/80/573523480.db2.gz RYLHSCOEISTSSJ-UHFFFAOYSA-N 0 0 166.180 1.087 10 0 ADAERN CC(C)c1cc(N)c(Cl)nn1 258057944 573523502 /nfs/dbraw/zinc/52/35/02/573523502.db2.gz UZCCALQXXNFFJO-UHFFFAOYSA-N 0 0 171.631 1.836 10 0 ADAERN CCn1cncc1C(=O)C(C)C 107329678 573523526 /nfs/dbraw/zinc/52/35/26/573523526.db2.gz FYBCMALJOAIHJW-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1c1cc(N)cnn1 259485485 573523529 /nfs/dbraw/zinc/52/35/29/573523529.db2.gz PJULKUQOKKJCEG-SNVBAGLBSA-N 0 0 192.266 1.216 10 0 ADAERN CCN(C)C(=O)C1CCC(CO)CC1 258749307 573523535 /nfs/dbraw/zinc/52/35/35/573523535.db2.gz JIAFXJXCTWAILT-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN C[C@@H]1CC/C(=C\CO)C1 238425656 573523540 /nfs/dbraw/zinc/52/35/40/573523540.db2.gz JEGSIHTYQWPNQG-VKDKVYATSA-N 0 0 126.199 1.725 10 0 ADAERN O=C(OCCO)C1=CC[C@H]2C=CC[C@@H]12 308614062 573523542 /nfs/dbraw/zinc/52/35/42/573523542.db2.gz ZIPLNOBFYDQTGX-RKDXNWHRSA-N 0 0 194.230 1.044 10 0 ADAERN O=CC(=O)NCCC1CCCCC1 258752504 573523552 /nfs/dbraw/zinc/52/35/52/573523552.db2.gz UMQVDSFLCGATKT-UHFFFAOYSA-N 0 0 183.251 1.272 10 0 ADAERN O=C1CC[C@@H](OC2CCC2)C1 86619892 573526460 /nfs/dbraw/zinc/52/64/60/573526460.db2.gz QLYOPEGUCPRCNJ-SECBINFHSA-N 0 0 154.209 1.677 10 0 ADAERN C[C@H](O)CC(=O)N[C@@H]1CCCC[C@@H]1C 238425204 573526462 /nfs/dbraw/zinc/52/64/62/573526462.db2.gz LKFIDECXUYOLCV-LPEHRKFASA-N 0 0 199.294 1.452 10 0 ADAERN Cc1cnn([C@@H]2CC[C@H](O)C2)c1 86621095 573526471 /nfs/dbraw/zinc/52/64/71/573526471.db2.gz GLRBZYVZTORLNP-BDAKNGLRSA-N 0 0 166.224 1.277 10 0 ADAERN COC(=O)[C@]12CCC[C@H]1C[C@@H](O)C2 257827507 573530498 /nfs/dbraw/zinc/53/04/98/573530498.db2.gz HXZZMXMUCIDVPK-XKSSXDPKSA-N 0 0 184.235 1.101 10 0 ADAERN CCc1nc(CO)c(CC)s1 259490914 573530511 /nfs/dbraw/zinc/53/05/11/573530511.db2.gz POXYQLHLDKPVDE-UHFFFAOYSA-N 0 0 171.265 1.760 10 0 ADAERN Cc1ccccc1[C@](C)(O)CON 257827518 573530516 /nfs/dbraw/zinc/53/05/16/573530516.db2.gz HYRUDTGPCPPHID-SNVBAGLBSA-N 0 0 181.235 1.093 10 0 ADAERN C[NH2+][C@@H](C[C@H](C)C(=O)[O-])C1CCCC1 259490767 573530522 /nfs/dbraw/zinc/53/05/22/573530522.db2.gz RHJYMLOIKPITFG-WPRPVWTQSA-N 0 0 199.294 1.875 10 0 ADAERN CC(=O)[C@H]1S[C@H]1C 238430445 573530525 /nfs/dbraw/zinc/53/05/25/573530525.db2.gz BDNSDNPLSIGVTO-CRCLSJGQSA-N 0 0 116.185 1.079 10 0 ADAERN CCSC[C@H](O)[C@H]1CCOC1 83484779 573530529 /nfs/dbraw/zinc/53/05/29/573530529.db2.gz RJILAEOTSBOFBO-YUMQZZPRSA-N 0 0 176.281 1.137 10 0 ADAERN C[C@@H]1C[C@@H](O)CC(C)(C)[C@@H]1CO 238430233 573530535 /nfs/dbraw/zinc/53/05/35/573530535.db2.gz LLEAJPGKHGXQIL-IWSPIJDZSA-N 0 0 172.268 1.412 10 0 ADAERN C[NH2+][C@@H]1CCCc2snnc21 107332078 573530536 /nfs/dbraw/zinc/53/05/36/573530536.db2.gz NIIGOFLATHXEOB-RXMQYKEDSA-N 0 0 169.253 1.135 10 0 ADAERN C[C@@H]([C@@H](O)c1ccc(N)cc1)[NH+](C)C 238429694 573530545 /nfs/dbraw/zinc/53/05/45/573530545.db2.gz BVKHXEJBBDGENY-GZMMTYOYSA-N 0 0 194.278 1.252 10 0 ADAERN Cc1cc(F)c([O-])c(C(N)=[NH2+])c1 107330932 573530558 /nfs/dbraw/zinc/53/05/58/573530558.db2.gz ZBHROHKGJBDAHA-UHFFFAOYSA-N 0 0 168.171 1.124 10 0 ADAERN CCSC[C@@H](O)C(C)C 83484692 573530586 /nfs/dbraw/zinc/53/05/86/573530586.db2.gz PHJPFFSXTDJTKT-SSDOTTSWSA-N 0 0 148.271 1.756 10 0 ADAERN Cc1cc(CON)cc2c1OCC2 258058345 573530608 /nfs/dbraw/zinc/53/06/08/573530608.db2.gz SISBMNGDIDNVSO-UHFFFAOYSA-N 0 0 179.219 1.320 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]1CCCC[NH2+]1 107333064 573530609 /nfs/dbraw/zinc/53/06/09/573530609.db2.gz YBJFLFIVPKDVLH-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN C[N@@H+]1CCC[C@H]1COc1cnoc1 258406342 573530621 /nfs/dbraw/zinc/53/06/21/573530621.db2.gz IPYFSVJQGFDDFL-QMMMGPOBSA-N 0 0 182.223 1.148 10 0 ADAERN CC(C)n1nnc2cnccc21 258758117 573530635 /nfs/dbraw/zinc/53/06/35/573530635.db2.gz ZVNYUVYQAOHLEJ-UHFFFAOYSA-N 0 0 162.196 1.407 10 0 ADAERN CCCSCc1nsc(N)n1 83486637 573530640 /nfs/dbraw/zinc/53/06/40/573530640.db2.gz USGIERDWRWRXTC-UHFFFAOYSA-N 0 0 189.309 1.764 10 0 ADAERN CC(C)[C@H]1SCC[C@@H]1O 78564091 573530652 /nfs/dbraw/zinc/53/06/52/573530652.db2.gz YRSVLBJDQCGDGH-NKWVEPMBSA-N 0 0 146.255 1.509 10 0 ADAERN Cc1ccc([C@H]2OC[C@H](CO)O2)cc1 6071114 573530656 /nfs/dbraw/zinc/53/06/56/573530656.db2.gz DPJJKJUHERNDSZ-QWRGUYRKSA-N 0 0 194.230 1.401 10 0 endogenous,in-man ADAERN C[C@@](C[NH3+])(CC(=O)[O-])c1cccs1 85114023 572663300 /nfs/dbraw/zinc/66/33/00/572663300.db2.gz CEVDPJSTCYBDQW-VIFPVBQESA-N 0 0 199.275 1.439 10 0 ADAERN Cc1oc2c(c1C)CC[C@@H](O)C2 74337874 572663339 /nfs/dbraw/zinc/66/33/39/572663339.db2.gz ZKHYVURAGNEMQH-MRVPVSSYSA-N 0 0 166.220 1.746 10 0 ADAERN O=c1[nH]ccn1-c1cccc(F)c1 87665584 572663347 /nfs/dbraw/zinc/66/33/47/572663347.db2.gz XUUJKICHVSNNSW-UHFFFAOYSA-N 0 0 178.166 1.305 10 0 ADAERN C[C@@H](N)c1nnc(N(C)C2CCC2)o1 235189515 572663349 /nfs/dbraw/zinc/66/33/49/572663349.db2.gz QCRDNVWYXABTIT-ZCFIWIBFSA-N 0 0 196.254 1.078 10 0 ADAERN CO[C@@]1(O)CCC=CCCC1=O 238383435 572663392 /nfs/dbraw/zinc/66/33/92/572663392.db2.gz JRCZIHZOHSWEMR-VIFPVBQESA-N 0 0 170.208 1.021 10 0 ADAERN C/C=C\CNC(=O)C/C=C/C 307863549 572663394 /nfs/dbraw/zinc/66/33/94/572663394.db2.gz OOEUGUKNCJEHTQ-UZNMPDEFSA-N 0 0 153.225 1.645 10 0 ADAERN Nc1c[nH]c([C@@H]2CCCOC2)c1 74337837 572663399 /nfs/dbraw/zinc/66/33/99/572663399.db2.gz YHQOBJXHKRHIPY-SSDOTTSWSA-N 0 0 166.224 1.491 10 0 ADAERN CC[S@](=N)(=O)N(C)C[C@H]1C[C@H]1C 404591205 572663400 /nfs/dbraw/zinc/66/34/00/572663400.db2.gz RPHMOXCRTKGJFG-DNSOKLHBSA-N 0 0 190.312 1.556 10 0 ADAERN Cc1ccc([C@](C)(C[NH3+])CC(=O)[O-])o1 85113585 572663401 /nfs/dbraw/zinc/66/34/01/572663401.db2.gz SNJZFELJLAPCGE-JTQLQIEISA-N 0 0 197.234 1.279 10 0 ADAERN CCCCOC(=O)N1CCC(=O)CC1 116196348 572663407 /nfs/dbraw/zinc/66/34/07/572663407.db2.gz RHVLHDSOTNYXPC-UHFFFAOYSA-N 0 0 199.250 1.588 10 0 ADAERN CCCCCNC(=O)[C@@H]1CCC[C@@H]1O 73139008 572663409 /nfs/dbraw/zinc/66/34/09/572663409.db2.gz KJOFGQMLKMJHJL-ZJUUUORDSA-N 0 0 199.294 1.454 10 0 ADAERN Nc1c[nH]nc1-c1cncs1 74337904 572663424 /nfs/dbraw/zinc/66/34/24/572663424.db2.gz GDCKJFKKPRIIIO-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN CC[C@](C[NH3+])(CC(=O)[O-])C1CC1 85113840 572663425 /nfs/dbraw/zinc/66/34/25/572663425.db2.gz PGDFXGCQKSSSIJ-SECBINFHSA-N 0 0 171.240 1.226 10 0 ADAERN OCc1cc(-c2ccc(O)cc2)n[nH]1 258406358 573530676 /nfs/dbraw/zinc/53/06/76/573530676.db2.gz CROBSMOANSIVLX-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN C[C@H]1CNc2cccc(O)c2NC1=O 258402364 573530685 /nfs/dbraw/zinc/53/06/85/573530685.db2.gz CJQATRLGSMXTJQ-LURJTMIESA-N 0 0 192.218 1.392 10 0 ADAERN Cc1ccc(Cl)c(C(N)=[NH2+])n1 107332202 573530704 /nfs/dbraw/zinc/53/07/04/573530704.db2.gz OMWGAIORVBQTDE-UHFFFAOYSA-N 0 0 169.615 1.327 10 0 ADAERN OCC[C@H]1Cc2c(F)cccc2N1 258052151 573530718 /nfs/dbraw/zinc/53/07/18/573530718.db2.gz FSMZRJHOUAINBC-ZETCQYMHSA-N 0 0 181.210 1.545 10 0 ADAERN C[C@@H]1C[C@@H](O)C(C)(C)OC1(C)C 238429862 573530726 /nfs/dbraw/zinc/53/07/26/573530726.db2.gz JZRSCXZJNSEVRU-HTQZYQBOSA-N 0 0 172.268 1.961 10 0 ADAERN Cc1nc(-c2ccc(N)c(C)c2)n[nH]1 48630545 572678086 /nfs/dbraw/zinc/67/80/86/572678086.db2.gz RKURKKKGWVRBMS-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CC[C@@H](C)Oc1nnc(CO)s1 87696177 572678098 /nfs/dbraw/zinc/67/80/98/572678098.db2.gz NRRHCRYYDOSMLA-RXMQYKEDSA-N 0 0 188.252 1.208 10 0 ADAERN COC(C)(C)C[C@@](C)(O)C(F)F 87687817 572678118 /nfs/dbraw/zinc/67/81/18/572678118.db2.gz MTXKWAWIXJHLEW-MRVPVSSYSA-N 0 0 182.210 1.818 10 0 ADAERN O=Cc1nc2ccsc2o1 74343204 572678135 /nfs/dbraw/zinc/67/81/35/572678135.db2.gz FNNULBMZVXFNII-UHFFFAOYSA-N 0 0 153.162 1.702 10 0 ADAERN C[C@H](CO)CSCC(=O)C1CC1 85139700 572678143 /nfs/dbraw/zinc/67/81/43/572678143.db2.gz YTCIHFGKAOPAHL-SSDOTTSWSA-N 0 0 188.292 1.327 10 0 ADAERN CCc1nnc([C@H]2CCCO2)[nH]1 48630657 572678171 /nfs/dbraw/zinc/67/81/71/572678171.db2.gz QFQZRNHOJRPNAY-ZCFIWIBFSA-N 0 0 167.212 1.219 10 0 ADAERN Cc1ccc([C@@H](C)[C@@H](O)CO)c(O)c1 238429408 573531353 /nfs/dbraw/zinc/53/13/53/573531353.db2.gz HCYLPTRSDPAVLT-KCJUWKMLSA-N 0 0 196.246 1.157 10 0 ADAERN CC(C)(C)[C@@H](C[NH2+]C1CCC1)C(=O)[O-] 258058275 573531359 /nfs/dbraw/zinc/53/13/59/573531359.db2.gz HYJGMKFPCMNDFX-VIFPVBQESA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](O)[C@](F)(Cl)C(F)F 238429549 573531364 /nfs/dbraw/zinc/53/13/64/573531364.db2.gz ANPIRKJDWXIZGJ-ZAFYKAAXSA-N 0 0 162.538 1.537 10 0 ADAERN C[C@H](O)[C@](C)(O)Cc1ccccc1 238429177 573531368 /nfs/dbraw/zinc/53/13/68/573531368.db2.gz KJWPGGKSBQXCHO-GXSJLCMTSA-N 0 0 180.247 1.361 10 0 ADAERN CC1=C[C@H](O)C[C@@H](C)[C@@H]1C 238430016 573531422 /nfs/dbraw/zinc/53/14/22/573531422.db2.gz UVUACGWBGJPRMA-HLTSFMKQSA-N 0 0 140.226 1.970 10 0 ADAERN C[C@H](O)c1cc(O)c(F)cc1F 258052416 573531439 /nfs/dbraw/zinc/53/14/39/573531439.db2.gz RPQQLRNSQKPFRB-BYPYZUCNSA-N 0 0 174.146 1.724 10 0 ADAERN C[C@@H](C=C=CBr)CO 238430415 573531440 /nfs/dbraw/zinc/53/14/40/573531440.db2.gz YVUOFXGJUSKDEO-WGSAUXKFSA-N 0 0 177.041 1.679 10 0 ADAERN CCc1ccnc(CC(C)=O)c1 259489262 573531444 /nfs/dbraw/zinc/53/14/44/573531444.db2.gz XVYYEQQBNTXSOZ-UHFFFAOYSA-N 0 0 163.220 1.776 10 0 ADAERN CC(C)(C)c1cnc(N)c(C=O)c1 220510323 573531447 /nfs/dbraw/zinc/53/14/47/573531447.db2.gz GWOKFCAMRPOESB-UHFFFAOYSA-N 0 0 178.235 1.774 10 0 ADAERN C[C@@H]1Cc2ccc(CCCO)cc2O1 258059356 573531461 /nfs/dbraw/zinc/53/14/61/573531461.db2.gz LIWWVEWXDGREGB-SECBINFHSA-N 0 0 192.258 1.935 10 0 ADAERN C[C@@H]([NH3+])Cc1cc(F)cc(C(=O)[O-])c1 238429785 573531487 /nfs/dbraw/zinc/53/14/87/573531487.db2.gz UHRHVMUWVGLJTD-ZCFIWIBFSA-N 0 0 197.209 1.414 10 0 ADAERN C[C@@H](C[C@H]1CCCCO1)ON 259489030 573531490 /nfs/dbraw/zinc/53/14/90/573531490.db2.gz PKDBHTCXUBVOIV-JGVFFNPUSA-N 0 0 159.229 1.224 10 0 ADAERN C[C@H](O)[C@]1(C)CC1(Cl)Cl 238429832 573531519 /nfs/dbraw/zinc/53/15/19/573531519.db2.gz OOACCSVGPIZOCB-WHFBIAKZSA-N 0 0 169.051 1.951 10 0 ADAERN C[C@@H]1C[C@@H](O)C12CC2 238429909 573531527 /nfs/dbraw/zinc/53/15/27/573531527.db2.gz GTJOENUZFRUSID-PHDIDXHHSA-N 0 0 112.172 1.167 10 0 ADAERN CC(C)(CCO)Nc1ccc[nH]1 258759985 573531539 /nfs/dbraw/zinc/53/15/39/573531539.db2.gz HCWWVMCCVFXSOZ-UHFFFAOYSA-N 0 0 168.240 1.588 10 0 ADAERN C[C@@H](O)c1cccc2c1NC(=O)CO2 258059217 573531542 /nfs/dbraw/zinc/53/15/42/573531542.db2.gz LFCSZKUBTLMCSY-ZCFIWIBFSA-N 0 0 193.202 1.071 10 0 ADAERN C/C(=C\c1ccccc1)[C@H](O)[C@@H](C)O 238429871 573531546 /nfs/dbraw/zinc/53/15/46/573531546.db2.gz UONPFMPAOYHEPH-QMTFQVMMSA-N 0 0 192.258 1.832 10 0 ADAERN Cc1ncc(C[NH3+])c(C)c1Cl 107332791 573531579 /nfs/dbraw/zinc/53/15/79/573531579.db2.gz QJMPWADCWQPKMX-UHFFFAOYSA-N 0 0 170.643 1.811 10 0 ADAERN C[C@H]([NH3+])Cc1cc(F)ccc1C(=O)[O-] 238429472 573531586 /nfs/dbraw/zinc/53/15/86/573531586.db2.gz GKTQVOGBSCKETE-LURJTMIESA-N 0 0 197.209 1.414 10 0 ADAERN [NH3+]CCc1ccc(F)c(F)c1O 107333322 573531608 /nfs/dbraw/zinc/53/16/08/573531608.db2.gz HWGUORZPOGHYHL-UHFFFAOYSA-N 0 0 173.162 1.172 10 0 ADAERN COC(=O)[C@]1(c2ccco2)CCCN1 258058895 573531611 /nfs/dbraw/zinc/53/16/11/573531611.db2.gz IUGGYHGTAZEUEN-SNVBAGLBSA-N 0 0 195.218 1.031 10 0 ADAERN Cc1cc(CON)c(C=O)cc1F 258059092 573531619 /nfs/dbraw/zinc/53/16/19/573531619.db2.gz LDEGLCPQTYMTML-UHFFFAOYSA-N 0 0 183.182 1.337 10 0 ADAERN C[C@H](CO)C1COC(C)(C)OC1 238430286 573531624 /nfs/dbraw/zinc/53/16/24/573531624.db2.gz PVHWFTUCOROJLT-SSDOTTSWSA-N 0 0 174.240 1.014 10 0 ADAERN CCC(=O)CSC[C@H](C)CO 85139726 572680588 /nfs/dbraw/zinc/68/05/88/572680588.db2.gz BQXOZOSXNKALHS-SSDOTTSWSA-N 0 0 176.281 1.327 10 0 ADAERN C[C@@H](CO)CS[C@@H]1CCCC1=O 85139643 572680596 /nfs/dbraw/zinc/68/05/96/572680596.db2.gz OUMSZYZNOYLOTQ-IONNQARKSA-N 0 0 188.292 1.470 10 0 ADAERN CCCN(C)c1cc(Cl)ncn1 48631201 572680606 /nfs/dbraw/zinc/68/06/06/572680606.db2.gz UAZDZHRNZLRTNC-UHFFFAOYSA-N 0 0 185.658 1.976 10 0 ADAERN CCc1nnc([C@@H]2CCCO2)[nH]1 48630656 572680609 /nfs/dbraw/zinc/68/06/09/572680609.db2.gz QFQZRNHOJRPNAY-LURJTMIESA-N 0 0 167.212 1.219 10 0 ADAERN C[C@@H]1C[C@@H]1C1(O)CC1 54346735 572680623 /nfs/dbraw/zinc/68/06/23/572680623.db2.gz YMEHQAINMXMVNP-RITPCOANSA-N 0 0 112.172 1.167 10 0 ADAERN C[C@@H](CO)CSc1ccc(N)cc1 85137737 572680637 /nfs/dbraw/zinc/68/06/37/572680637.db2.gz AGVGBHLNNALDPS-QMMMGPOBSA-N 0 0 197.303 1.989 10 0 ADAERN C[C@H](CO)CSc1ccc(N)cc1 85137738 572680641 /nfs/dbraw/zinc/68/06/41/572680641.db2.gz AGVGBHLNNALDPS-MRVPVSSYSA-N 0 0 197.303 1.989 10 0 ADAERN C[C@@H](CO)CS[C@H]1CCC(=O)C1 85139743 572680645 /nfs/dbraw/zinc/68/06/45/572680645.db2.gz QNSONGACCYVULK-CBAPKCEASA-N 0 0 188.292 1.470 10 0 ADAERN CCc1nnc(-c2cnc(C)cn2)[nH]1 48630687 572680654 /nfs/dbraw/zinc/68/06/54/572680654.db2.gz WASQIEXJDVAVTP-UHFFFAOYSA-N 0 0 189.222 1.133 10 0 ADAERN CCC(=O)[C@@H](C)SC[C@H](C)CO 85139729 572680663 /nfs/dbraw/zinc/68/06/63/572680663.db2.gz GZSVYKWSXUFEFR-HTQZYQBOSA-N 0 0 190.308 1.716 10 0 ADAERN CC[C@](COC)(NC)C(F)F 87688468 572680679 /nfs/dbraw/zinc/68/06/79/572680679.db2.gz CRKBZXLLEQEQNF-SSDOTTSWSA-N 0 0 167.199 1.266 10 0 ADAERN C[C@H](CO)CSc1cc(N)ccn1 85137762 572680683 /nfs/dbraw/zinc/68/06/83/572680683.db2.gz PVUADAMYMDDOQG-SSDOTTSWSA-N 0 0 198.291 1.384 10 0 ADAERN CCN[C@](C)(CCOC)C(F)F 87688847 572680689 /nfs/dbraw/zinc/68/06/89/572680689.db2.gz KQVBPIGGLMVOJE-MRVPVSSYSA-N 0 0 181.226 1.656 10 0 ADAERN CCOC(=O)[C@H]1CCO[C@H]1C1CC1 308090960 572680692 /nfs/dbraw/zinc/68/06/92/572680692.db2.gz MQFPZFJVWKSUFQ-IUCAKERBSA-N 0 0 184.235 1.365 10 0 ADAERN O[C@@H](c1cccs1)[C@H]1CCOC1 48629059 572680698 /nfs/dbraw/zinc/68/06/98/572680698.db2.gz IJUQQBGLZVHTRD-IONNQARKSA-N 0 0 184.260 1.818 10 0 ADAERN CC(C)COCc1nnc(N)s1 87692722 572680703 /nfs/dbraw/zinc/68/07/03/572680703.db2.gz CIODOEXXCYUPOY-UHFFFAOYSA-N 0 0 187.268 1.293 10 0 ADAERN OC1(c2ccccc2F)CC1 54346158 572680707 /nfs/dbraw/zinc/68/07/07/572680707.db2.gz BQTQCOAROVJUMX-UHFFFAOYSA-N 0 0 152.168 1.807 10 0 ADAERN CC[C@H](C)[NH2+][C@@H]1C=CC[C@@H](C(=O)[O-])C1 714145054 572680717 /nfs/dbraw/zinc/68/07/17/572680717.db2.gz KECNZYGIPRXACW-IVZWLZJFSA-N 0 0 197.278 1.794 10 0 ADAERN CC(=O)C[C@@H](C)SC[C@H](C)CO 85139696 572680724 /nfs/dbraw/zinc/68/07/24/572680724.db2.gz CEVNRLLKECQXNC-VXNVDRBHSA-N 0 0 190.308 1.716 10 0 ADAERN O=C(Cc1cccs1)[C@H]1CCOC1 48627380 572680727 /nfs/dbraw/zinc/68/07/27/572680727.db2.gz ADMKKCACUULHNQ-QMMMGPOBSA-N 0 0 196.271 1.896 10 0 ADAERN COc1ccc(C2(O)CC2)c(OC)c1 54346213 572680731 /nfs/dbraw/zinc/68/07/31/572680731.db2.gz VCLJAQUPEJFBPA-UHFFFAOYSA-N 0 0 194.230 1.685 10 0 ADAERN CCc1nnc(-c2scnc2C)[nH]1 48630689 572680742 /nfs/dbraw/zinc/68/07/42/572680742.db2.gz MWOYDSBZLJGLFC-UHFFFAOYSA-N 0 0 194.263 1.799 10 0 ADAERN C(=C\c1ncc[nH]1)\c1cc[nH]c1 307867334 572680751 /nfs/dbraw/zinc/68/07/51/572680751.db2.gz CGIXJRQGWQRYAV-UPHRSURJSA-N 0 0 159.192 1.908 10 0 ADAERN CCN[C@@](COC)(C(C)C)C(F)F 87689190 572680753 /nfs/dbraw/zinc/68/07/53/572680753.db2.gz RLTKXOVOTNGLDR-VIFPVBQESA-N 0 0 195.253 1.902 10 0 ADAERN C=C/C=C\CC[NH2+]C/C=C(/C)C(=O)[O-] 713455032 572680759 /nfs/dbraw/zinc/68/07/59/572680759.db2.gz FJRRYZKCXHDGFL-WKBXPBOGSA-N 0 0 195.262 1.739 10 0 ADAERN CCc1nc(-c2ccoc2C)n[nH]1 48630663 572680772 /nfs/dbraw/zinc/68/07/72/572680772.db2.gz RHJAIPVHBFGQKI-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN C[C@@H](NN(C)C)c1cncc(F)c1 235202535 572680781 /nfs/dbraw/zinc/68/07/81/572680781.db2.gz WPXSIHMOIOCSHE-SSDOTTSWSA-N 0 0 183.230 1.348 10 0 ADAERN CCc1nc([C@H]2C[C@@H]2C)n[nH]1 48630746 572680804 /nfs/dbraw/zinc/68/08/04/572680804.db2.gz AGTSKKFBTINMDQ-WDSKDSINSA-N 0 0 151.213 1.491 10 0 ADAERN Cc1cccnc1C1(O)CC1 54346475 572680805 /nfs/dbraw/zinc/68/08/05/572680805.db2.gz KELPGNAIIDPBFD-UHFFFAOYSA-N 0 0 149.193 1.371 10 0 ADAERN C[NH2+][C@H](C[C@H](C)C(=O)[O-])C1CCCC1 259490764 573531636 /nfs/dbraw/zinc/53/16/36/573531636.db2.gz RHJYMLOIKPITFG-WCBMZHEXSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](O)[C@]1(C)CCC(C)(C)C1=O 238429908 573531649 /nfs/dbraw/zinc/53/16/49/573531649.db2.gz PLBBZQUNIJAPSI-XVKPBYJWSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H](CO)CS[C@H]1CCC(=O)C1 85139744 572680840 /nfs/dbraw/zinc/68/08/40/572680840.db2.gz QNSONGACCYVULK-APPZFPTMSA-N 0 0 188.292 1.470 10 0 ADAERN Cn1nc([C@@H]2CCCSC2)cc1N 258058640 573531660 /nfs/dbraw/zinc/53/16/60/573531660.db2.gz KOMIVSHAKYNFPU-SSDOTTSWSA-N 0 0 197.307 1.613 10 0 ADAERN CC[C@H](C)[NH2+]Cc1ccc(C(N)=O)o1 130409716 573531679 /nfs/dbraw/zinc/53/16/79/573531679.db2.gz BWYKETFVYFQPEL-ZETCQYMHSA-N 0 0 196.250 1.267 10 0 ADAERN C[C@H](O)CCC1=NCC(C)(C)O1 238429026 573531681 /nfs/dbraw/zinc/53/16/81/573531681.db2.gz QOANBZGMIZUDFJ-ZETCQYMHSA-N 0 0 171.240 1.355 10 0 ADAERN CSc1ncc(N)n1C(C)C 258052247 573531688 /nfs/dbraw/zinc/53/16/88/573531688.db2.gz FTCUHCNCPRNPBF-UHFFFAOYSA-N 0 0 171.269 1.768 10 0 ADAERN Cn1nccc1Cc1ccc(O)cc1 257828086 573531690 /nfs/dbraw/zinc/53/16/90/573531690.db2.gz IGHXFSYOMACQMU-UHFFFAOYSA-N 0 0 188.230 1.717 10 0 ADAERN CCOC(=O)c1c(C)c[nH]c1N 107331049 573531692 /nfs/dbraw/zinc/53/16/92/573531692.db2.gz NGELTPBJEKYBMH-UHFFFAOYSA-N 0 0 168.196 1.082 10 0 ADAERN CCCCC[C@@H]1CCC(=O)NC1=O 70535720 572700462 /nfs/dbraw/zinc/70/04/62/572700462.db2.gz UNHQDECNZAIVAM-MRVPVSSYSA-N 0 0 183.251 1.620 10 0 ADAERN CCOC[C@@H](O)[C@@]1(C)CCCCO1 87762238 572700469 /nfs/dbraw/zinc/70/04/69/572700469.db2.gz MCTQNFXXUOSJDF-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CC[C@@H]1CCN(/C=C\C(=O)OC)C1 308096082 572700478 /nfs/dbraw/zinc/70/04/78/572700478.db2.gz VSXZLPVJJWRSKL-WILPJHFFSA-N 0 0 183.251 1.405 10 0 ADAERN CC(C)[C@]12NC(=O)C[C@@H](C)[C@H]1C=NO2 307623487 572700484 /nfs/dbraw/zinc/70/04/84/572700484.db2.gz DWLOYGHLIQWSEA-NQMVMOMDSA-N 0 0 196.250 1.127 10 0 ADAERN CC(C)Cc1nc2ccccn2n1 258055435 573535788 /nfs/dbraw/zinc/53/57/88/573535788.db2.gz UXRWYWBSWLLUED-UHFFFAOYSA-N 0 0 175.235 1.928 10 0 ADAERN C=C=C(C)CC[C@@H](C)O 238429583 573531950 /nfs/dbraw/zinc/53/19/50/573531950.db2.gz BAXUOEXQLICEOK-MRVPVSSYSA-N 0 0 126.199 1.879 10 0 ADAERN Cc1cccc([C@@H](F)[C@@H]([NH3+])C(=O)[O-])c1 257828983 573535347 /nfs/dbraw/zinc/53/53/47/573535347.db2.gz IPEMTNKFDDDGTD-RKDXNWHRSA-N 0 0 197.209 1.418 10 0 ADAERN C[C@@](O)(CC1CCOCC1)C1CC1 83503458 573535348 /nfs/dbraw/zinc/53/53/48/573535348.db2.gz DHBLMZORUASKAQ-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@@H]1CCSCCC1=O 238434312 573535352 /nfs/dbraw/zinc/53/53/52/573535352.db2.gz FTHHJVCTFCHTTR-ZCFIWIBFSA-N 0 0 144.239 1.719 10 0 ADAERN COCc1cccc(O)c1C(C)=O 107339940 573535365 /nfs/dbraw/zinc/53/53/65/573535365.db2.gz NJJRUVGYGYOFNZ-UHFFFAOYSA-N 0 0 180.203 1.741 10 0 ADAERN CO[S@@](=O)c1ccc(O)cc1 238431058 573535380 /nfs/dbraw/zinc/53/53/80/573535380.db2.gz QXDAJHSKHUNNJR-LLVKDONJSA-N 0 0 172.205 1.061 10 0 ADAERN COc1ccc(C)c([C@H](C)CO)c1O 258053674 573535383 /nfs/dbraw/zinc/53/53/83/573535383.db2.gz KULBWTWWCQOXGQ-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN COc1cnccc1C(=O)C(C)C 107338380 573535384 /nfs/dbraw/zinc/53/53/84/573535384.db2.gz XLZXSIJYYCBYCZ-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN FC1(F)CNCC[C@@H]1C1CC1 257828843 573535388 /nfs/dbraw/zinc/53/53/88/573535388.db2.gz IPSBACVLYHOZQK-SSDOTTSWSA-N 0 0 161.195 1.641 10 0 ADAERN NOCc1cccc2c(Cl)n[nH]c12 258053652 573535406 /nfs/dbraw/zinc/53/54/06/573535406.db2.gz KTTLECCQFLNOPI-UHFFFAOYSA-N 0 0 197.625 1.607 10 0 ADAERN CSc1cnc(N)cc1C 238433936 573535414 /nfs/dbraw/zinc/53/54/14/573535414.db2.gz CZEVZKYFUKPFLQ-UHFFFAOYSA-N 0 0 154.238 1.694 10 0 ADAERN Cn1nc(Cl)nc1C(F)(F)F 107347569 573535421 /nfs/dbraw/zinc/53/54/21/573535421.db2.gz GMWLAKJLCOYETC-UHFFFAOYSA-N 0 0 185.536 1.487 10 0 ADAERN C[C@H](O)[C@]1(c2ccccc2)CCO1 238431235 573535422 /nfs/dbraw/zinc/53/54/22/573535422.db2.gz JDNMAZQDPBZNPY-ONGXEEELSA-N 0 0 178.231 1.683 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@H](O)c1cc[nH]c1 124595321 573535428 /nfs/dbraw/zinc/53/54/28/573535428.db2.gz NGKCKTQEPOECKU-SZEHBUNVSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@H](O)c1ccc[nH]1 124594324 573535436 /nfs/dbraw/zinc/53/54/36/573535436.db2.gz NRDVXHQGDGCVSH-QNSHHTMESA-N 0 0 181.235 1.473 10 0 ADAERN CCCc1nc(CC(C)=O)no1 258054080 573535439 /nfs/dbraw/zinc/53/54/39/573535439.db2.gz PFXCSDOLRNOMPU-UHFFFAOYSA-N 0 0 168.196 1.154 10 0 ADAERN CC(=O)[C@@H](F)C1CCC1 257828831 573535446 /nfs/dbraw/zinc/53/54/46/573535446.db2.gz IPEOTXKPCQOQOX-SSDOTTSWSA-N 0 0 130.162 1.714 10 0 ADAERN CC(C)SCc1noc(N)n1 83489734 573535489 /nfs/dbraw/zinc/53/54/89/573535489.db2.gz VMBSXJDMVKRVPK-UHFFFAOYSA-N 0 0 173.241 1.293 10 0 ADAERN CCc1cc(CCO)c(C)cc1O 258054426 573535500 /nfs/dbraw/zinc/53/55/00/573535500.db2.gz RTVNRMGROZKCPE-UHFFFAOYSA-N 0 0 180.247 1.798 10 0 ADAERN CC(C)c1nnc2ncc(C=O)cn12 257828524 573535515 /nfs/dbraw/zinc/53/55/15/573535515.db2.gz IKNWUWZQLACYKH-UHFFFAOYSA-N 0 0 190.206 1.060 10 0 ADAERN Cc1nc2c(CCON)cccc2o1 258053535 573535520 /nfs/dbraw/zinc/53/55/20/573535520.db2.gz KRRJEXCQQYLPFZ-UHFFFAOYSA-N 0 0 192.218 1.569 10 0 ADAERN C[C@H]1C(=O)CC[C@]12CCCCO2 238433857 573535527 /nfs/dbraw/zinc/53/55/27/573535527.db2.gz IPYZQAWHRVKTRT-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@H]1CCCC[C@H](NC=O)C1 238431161 573535540 /nfs/dbraw/zinc/53/55/40/573535540.db2.gz IUIRPANCFYFNFA-IUCAKERBSA-N 0 0 155.241 1.701 10 0 ADAERN O[C@@]1(Cc2cccs2)CCOC1 83504238 573535544 /nfs/dbraw/zinc/53/55/44/573535544.db2.gz SDHMEWYQNCETHZ-SECBINFHSA-N 0 0 184.260 1.442 10 0 ADAERN CC(=O)c1cnc2ccc(F)cn12 107336733 573535569 /nfs/dbraw/zinc/53/55/69/573535569.db2.gz VSLKNITWZXKNLA-UHFFFAOYSA-N 0 0 178.166 1.676 10 0 ADAERN [NH3+]Cc1c[nH]c2c(F)ccc(O)c12 107339897 573535575 /nfs/dbraw/zinc/53/55/75/573535575.db2.gz GVQIEXYVTSVFQC-UHFFFAOYSA-N 0 0 180.182 1.471 10 0 ADAERN CC[C@@H](CC1CC1)NC(C)=O 78586498 573535580 /nfs/dbraw/zinc/53/55/80/573535580.db2.gz VQZDTIGGIIPEQE-VIFPVBQESA-N 0 0 155.241 1.701 10 0 ADAERN CC(C)SCc1nccc(NN)n1 83489724 573535622 /nfs/dbraw/zinc/53/56/22/573535622.db2.gz ZAXAQJZYEUAWJU-UHFFFAOYSA-N 0 0 198.295 1.404 10 0 ADAERN CSc1cnc(N)cc1F 238433951 573535630 /nfs/dbraw/zinc/53/56/30/573535630.db2.gz XGOPGFMFVSPKQT-UHFFFAOYSA-N 0 0 158.201 1.525 10 0 ADAERN CC(=O)N[C@H]1CC[C@H](C)C[C@H]1C 78586298 573535637 /nfs/dbraw/zinc/53/56/37/573535637.db2.gz LMPXBWPIGSJMJB-XKSSXDPKSA-N 0 0 169.268 1.947 10 0 ADAERN O=C([O-])CC[NH2+]CC1(C2CC2)CC1 236429184 572703609 /nfs/dbraw/zinc/70/36/09/572703609.db2.gz NNXLWZKBZSOREZ-UHFFFAOYSA-N 0 0 183.251 1.241 10 0 ADAERN C[C@H](O)[C@]1(O)CCc2ccccc21 238431120 573535667 /nfs/dbraw/zinc/53/56/67/573535667.db2.gz CEOXJQMQVJOIBH-GZMMTYOYSA-N 0 0 178.231 1.201 10 0 ADAERN COc1ccccc1[C@H]1COC(=O)C1 257828966 573535668 /nfs/dbraw/zinc/53/56/68/573535668.db2.gz IOUVCMMWAZAZEB-MRVPVSSYSA-N 0 0 192.214 1.726 10 0 ADAERN COc1ccc(C)c([C@@H](C)CO)c1O 258053678 573535672 /nfs/dbraw/zinc/53/56/72/573535672.db2.gz KULBWTWWCQOXGQ-QMMMGPOBSA-N 0 0 196.246 1.805 10 0 ADAERN CC[C@H](CO)[C@@H](C)OCOC 307880889 572721671 /nfs/dbraw/zinc/72/16/71/572721671.db2.gz RMGAFBSXYGUQIF-HTQZYQBOSA-N 0 0 162.229 1.014 10 0 ADAERN CCO[C@@H](C)c1ncc(N)cn1 70648487 572721673 /nfs/dbraw/zinc/72/16/73/572721673.db2.gz YPFSHYKVRANMLV-LURJTMIESA-N 0 0 167.212 1.156 10 0 ADAERN CC(C)n1nnc2c1C(=O)CCC2 107338930 573535675 /nfs/dbraw/zinc/53/56/75/573535675.db2.gz VHYIMSORJIIHOD-UHFFFAOYSA-N 0 0 179.223 1.378 10 0 ADAERN CN(C)c1ccc(CON)cc1F 258056035 573535680 /nfs/dbraw/zinc/53/56/80/573535680.db2.gz KYDOYJMLWSTDJU-UHFFFAOYSA-N 0 0 184.214 1.282 10 0 ADAERN COC(=O)[C@]1(C)CC(C)(C)CCN1 258054353 573535691 /nfs/dbraw/zinc/53/56/91/573535691.db2.gz RRUKKKOLKSYIHN-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN OC/C=C\CNC/C(Cl)=C\Cl 717467631 573535693 /nfs/dbraw/zinc/53/56/93/573535693.db2.gz QKEKRXRQTJMOIO-OERRMRPCSA-N 0 0 196.077 1.444 10 0 ADAERN CC(C)SC[C@@H](O)C1CC1 83488732 573535696 /nfs/dbraw/zinc/53/56/96/573535696.db2.gz DVMQHCGLQMFWRK-MRVPVSSYSA-N 0 0 160.282 1.899 10 0 ADAERN CNc1nnc(C2CCCC2)n1C 107341404 573535729 /nfs/dbraw/zinc/53/57/29/573535729.db2.gz DGQWZRWDSLCSKW-UHFFFAOYSA-N 0 0 180.255 1.514 10 0 ADAERN OC1(Cc2ccccn2)CC1 258053992 573535733 /nfs/dbraw/zinc/53/57/33/573535733.db2.gz PENDSBUJOMYCAP-UHFFFAOYSA-N 0 0 149.193 1.149 10 0 ADAERN Cc1cnc(N)c([C@@H]2CCC(=O)C2)c1 70738448 572735997 /nfs/dbraw/zinc/73/59/97/572735997.db2.gz CVBGJFJNNBIHMD-MRVPVSSYSA-N 0 0 190.246 1.809 10 0 ADAERN C[C@@H]1Cc2cc(CON)ccc2N1C 258054668 573535759 /nfs/dbraw/zinc/53/57/59/573535759.db2.gz LICXAKUHMIQTHE-MRVPVSSYSA-N 0 0 192.262 1.458 10 0 ADAERN C[C@@H]1C[C@@H](NC(N)=O)CC(C)(C)C1 196671850 572736013 /nfs/dbraw/zinc/73/60/13/572736013.db2.gz XCWBVGJRUICKPO-HTQZYQBOSA-N 0 0 184.283 1.870 10 0 ADAERN Cc1nc(C)c([C@H](C)O)[nH]1 238433740 573535771 /nfs/dbraw/zinc/53/57/71/573535771.db2.gz MRVSTXIBWSRNHV-YFKPBYRVSA-N 0 0 140.186 1.080 10 0 ADAERN CCCC[C@@](C)(O)COC 83503868 573536136 /nfs/dbraw/zinc/53/61/36/573536136.db2.gz HDDDOAVHZRDJQP-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN Cc1ccc(C=O)c(CCC=O)c1 258054382 573536155 /nfs/dbraw/zinc/53/61/55/573536155.db2.gz RSMGCGCGXDYIDI-UHFFFAOYSA-N 0 0 176.215 1.939 10 0 ADAERN OC[C@@H]1CCc2ccc(F)cc2N1 107342007 573536156 /nfs/dbraw/zinc/53/61/56/573536156.db2.gz RXLDKLYWSMGKEG-VIFPVBQESA-N 0 0 181.210 1.545 10 0 ADAERN Oc1ccc(C2(O)CC2)c(F)c1F 258053724 573536167 /nfs/dbraw/zinc/53/61/67/573536167.db2.gz KVOHJLUMHAJLHC-UHFFFAOYSA-N 0 0 186.157 1.652 10 0 ADAERN NOC[C@H](F)c1ccccc1 259494130 573536168 /nfs/dbraw/zinc/53/61/68/573536168.db2.gz YDDHCCIWCGDYMM-QMMMGPOBSA-N 0 0 155.172 1.588 10 0 ADAERN OC1(Cc2ccsc2)CCOCC1 83504145 573536180 /nfs/dbraw/zinc/53/61/80/573536180.db2.gz HIXYNWFXLWIGER-UHFFFAOYSA-N 0 0 198.287 1.832 10 0 ADAERN COc1nc(C(C)C)c(C)[nH]1 258761498 573536185 /nfs/dbraw/zinc/53/61/85/573536185.db2.gz SKKTZDBACDMIQO-UHFFFAOYSA-N 0 0 154.213 1.850 10 0 ADAERN CC(O)=C1CC[C@H](C)SC1=O 238434110 573536212 /nfs/dbraw/zinc/53/62/12/573536212.db2.gz DWBXQYPXOVKVBV-CAHLUQPWSA-N 0 0 172.249 1.634 10 0 ADAERN Cc1ccc([C@@H]2C[NH2+][C@H](C(=O)[O-])C2)o1 258054006 573536223 /nfs/dbraw/zinc/53/62/23/573536223.db2.gz DHHMOMIBFXVIMC-YUMQZZPRSA-N 0 0 195.218 1.118 10 0 ADAERN Cn1ccc2c(O)c(N)c(F)cc21 258054428 573536227 /nfs/dbraw/zinc/53/62/27/573536227.db2.gz RTWUMIZGTMINEU-UHFFFAOYSA-N 0 0 180.182 1.605 10 0 ADAERN CSc1cnc([C@H](C)O)s1 238434188 573536230 /nfs/dbraw/zinc/53/62/30/573536230.db2.gz LVVAGHKYNJGEGH-BYPYZUCNSA-N 0 0 175.278 1.918 10 0 ADAERN C[NH2+]CC1CCC(C(=O)[O-])CC1 78580394 573536244 /nfs/dbraw/zinc/53/62/44/573536244.db2.gz IDMTVFPMTNDKTC-UHFFFAOYSA-N 0 0 171.240 1.097 10 0 ADAERN CC(=O)C(C)(C)[C@@H]1CCCOC1=O 224243801 573536246 /nfs/dbraw/zinc/53/62/46/573536246.db2.gz IQPUNDSFQDIOEP-MRVPVSSYSA-N 0 0 184.235 1.555 10 0 ADAERN OC[C@@H]1CCc2cccc(F)c2N1 107342012 573536255 /nfs/dbraw/zinc/53/62/55/573536255.db2.gz LFCBHHSDTCKSHZ-QMMMGPOBSA-N 0 0 181.210 1.545 10 0 ADAERN [NH3+]Cc1c[nH]c2cc(F)cc(O)c12 107339895 573536261 /nfs/dbraw/zinc/53/62/61/573536261.db2.gz GORJYXSXSIWUGE-UHFFFAOYSA-N 0 0 180.182 1.471 10 0 ADAERN CC[C@@H](CO)Cc1ccc[nH]1 259497421 573536268 /nfs/dbraw/zinc/53/62/68/573536268.db2.gz UERUOGXUXDSWLT-MRVPVSSYSA-N 0 0 153.225 1.576 10 0 ADAERN CN[C@@H](C(C)=O)c1ccccc1OC 259492365 573536284 /nfs/dbraw/zinc/53/62/84/573536284.db2.gz RKIPOWBCOPVNHC-NSHDSACASA-N 0 0 193.246 1.545 10 0 ADAERN CC[C@H](C)CC1(O)CCOCC1 83504154 573536288 /nfs/dbraw/zinc/53/62/88/573536288.db2.gz IUVDSWIUDFBPIL-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H](CCO)CCCC1OCCO1 238433828 573536292 /nfs/dbraw/zinc/53/62/92/573536292.db2.gz RGIZMRKUPWOJRD-VIFPVBQESA-N 0 0 188.267 1.548 10 0 ADAERN COc1cccc2c1[C@@H](CON)CO2 258052963 573536297 /nfs/dbraw/zinc/53/62/97/573536297.db2.gz LFRPQABVWTVDSO-SSDOTTSWSA-N 0 0 195.218 1.062 10 0 ADAERN CC(C)SCC(N)=S 83488197 573536328 /nfs/dbraw/zinc/53/63/28/573536328.db2.gz FWQRHIQGQHPFQN-UHFFFAOYSA-N 0 0 149.284 1.414 10 0 ADAERN CC(C)(C)SCC(N)=S 83489948 573536334 /nfs/dbraw/zinc/53/63/34/573536334.db2.gz GMGFQYBKUMKUBA-UHFFFAOYSA-N 0 0 163.311 1.804 10 0 ADAERN CN1c2ccc(F)cc2C[C@H]1CCO 258052929 573536340 /nfs/dbraw/zinc/53/63/40/573536340.db2.gz LFHGKWOAIBVZJT-SNVBAGLBSA-N 0 0 195.237 1.569 10 0 ADAERN C[C@H](CO)CC1(O)CCCCC1 238430607 573536347 /nfs/dbraw/zinc/53/63/47/573536347.db2.gz XMUBFNCOYSPXDP-VIFPVBQESA-N 0 0 172.268 1.700 10 0 ADAERN CC(=O)Cc1coc([C@H]2CCCO2)n1 258053564 573536351 /nfs/dbraw/zinc/53/63/51/573536351.db2.gz LAGVDGDZEOPIPP-SECBINFHSA-N 0 0 195.218 1.658 10 0 ADAERN Cc1cc([C@@H](O)N(C)C)ccc1F 259494151 573536358 /nfs/dbraw/zinc/53/63/58/573536358.db2.gz LJMFAJLPWXTHSK-SNVBAGLBSA-N 0 0 183.226 1.687 10 0 ADAERN C[C@H]1C(=O)C[C@@H](CCO)C1(C)C 238434243 573536368 /nfs/dbraw/zinc/53/63/68/573536368.db2.gz QEHPLDCDBURQJK-JGVFFNPUSA-N 0 0 170.252 1.620 10 0 ADAERN NC1=NC(=O)N[C@H]1c1ccccc1 86653623 573536371 /nfs/dbraw/zinc/53/63/71/573536371.db2.gz YLUTYLYPHUJDBM-ZETCQYMHSA-N 0 0 175.191 1.018 10 0 ADAERN C[C@H]1C(=O)CC[C@H](CO)C1(C)C 238433756 573536387 /nfs/dbraw/zinc/53/63/87/573536387.db2.gz NSAJTCWIPKDENC-JGVFFNPUSA-N 0 0 170.252 1.620 10 0 ADAERN CC(=O)[C@@H]1CCCC[C@H]1[C@@H](C)O 238433888 573536393 /nfs/dbraw/zinc/53/63/93/573536393.db2.gz YPCIBUXUXQAHMS-JEZHCXPESA-N 0 0 170.252 1.763 10 0 ADAERN CNCc1nc([C@@H]2CCSC2)no1 258054109 573536397 /nfs/dbraw/zinc/53/63/97/573536397.db2.gz PGMCHXYOLPPQNF-ZCFIWIBFSA-N 0 0 199.279 1.010 10 0 ADAERN CC1=N[C@H](C)S[C@@H]1CCO 238430593 573536398 /nfs/dbraw/zinc/53/63/98/573536398.db2.gz VQAPNSCSWPDGQM-NKWVEPMBSA-N 0 0 159.254 1.291 10 0 ADAERN COc1ccc(C=O)c(C(C)(C)O)c1 258053789 573536405 /nfs/dbraw/zinc/53/64/05/573536405.db2.gz KXJARJKJBDYOJU-UHFFFAOYSA-N 0 0 194.230 1.735 10 0 ADAERN CC(=O)C[C@@H]1N=C(C)[C@H](C)S1 238430574 573536420 /nfs/dbraw/zinc/53/64/20/573536420.db2.gz VATABQGMNDIEON-JGVFFNPUSA-N 0 0 171.265 1.888 10 0 ADAERN C[C@H](CC1=CCC[N@H+](C)C1)C(=O)[O-] 258054806 573536422 /nfs/dbraw/zinc/53/64/22/573536422.db2.gz LKXPRSFMGILCLZ-MRVPVSSYSA-N 0 0 183.251 1.359 10 0 ADAERN COC(=O)c1c(C(C)C)c(=O)[nH]n1C 259493572 573536445 /nfs/dbraw/zinc/53/64/45/573536445.db2.gz SUPPISZETKQXAZ-UHFFFAOYSA-N 0 0 198.222 1.036 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@H](O)c1cc[nH]c1 124595040 573536466 /nfs/dbraw/zinc/53/64/66/573536466.db2.gz NGKCKTQEPOECKU-QNSHHTMESA-N 0 0 181.235 1.473 10 0 ADAERN CC(C)CCN1CCN(C)C1=O 259104731 573536470 /nfs/dbraw/zinc/53/64/70/573536470.db2.gz ASRZSDJECTZEKB-UHFFFAOYSA-N 0 0 170.256 1.400 10 0 ADAERN COC(=O)Cc1cc(C)ns1 259492237 573536474 /nfs/dbraw/zinc/53/64/74/573536474.db2.gz STDGPGVBNAJIEJ-UHFFFAOYSA-N 0 0 171.221 1.167 10 0 ADAERN COc1c(CC(C)=O)ccc(C)c1O 258053549 573536484 /nfs/dbraw/zinc/53/64/84/573536484.db2.gz KSCWBDHELHTVTJ-UHFFFAOYSA-N 0 0 194.230 1.841 10 0 ADAERN CC(C)OC[C@H](O)c1ccccc1O 258054653 573536487 /nfs/dbraw/zinc/53/64/87/573536487.db2.gz KHXMEUOHIHAWHB-NSHDSACASA-N 0 0 196.246 1.851 10 0 ADAERN C[C@@]12CCCC[C@@]1(O)CC(=O)C2 238430915 573536492 /nfs/dbraw/zinc/53/64/92/573536492.db2.gz CZMIGRIBILJSNE-VHSXEESVSA-N 0 0 168.236 1.661 10 0 ADAERN Cc1ccc(O)c([C@H](C)CO)c1F 258053776 573536504 /nfs/dbraw/zinc/53/65/04/573536504.db2.gz KXCOQTRVCUTJSV-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN COc1ccc(C(=O)C(C)C)cn1 107338503 573536530 /nfs/dbraw/zinc/53/65/30/573536530.db2.gz HZZDYRPOZDFLKT-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN CC(=O)NOCCCc1ccco1 75358617 573536533 /nfs/dbraw/zinc/53/65/33/573536533.db2.gz NEFCYJYQZISHEA-UHFFFAOYSA-N 0 0 183.207 1.280 10 0 ADAERN Cc1ccc2c(c1)N[C@H](CO)CC2 107336476 573536553 /nfs/dbraw/zinc/53/65/53/573536553.db2.gz VTAOHCHPAMEEBL-JTQLQIEISA-N 0 0 177.247 1.714 10 0 ADAERN C[C@@H]1C[C@@H](O)N(C)N1c1ccccc1 238430893 573536575 /nfs/dbraw/zinc/53/65/75/573536575.db2.gz FNOFPQBOQUJKNC-MWLCHTKSSA-N 0 0 192.262 1.450 10 0 ADAERN NOCCc1ccc2sncc2c1 258053771 573536579 /nfs/dbraw/zinc/53/65/79/573536579.db2.gz KWSYQMABVKBQRT-UHFFFAOYSA-N 0 0 194.259 1.729 10 0 ADAERN COCc1ccc(F)c(CCON)c1 258052869 573536585 /nfs/dbraw/zinc/53/65/85/573536585.db2.gz GZLILAPFUULAHP-UHFFFAOYSA-N 0 0 199.225 1.405 10 0 ADAERN COC[C@H]1COc2c(O)cccc2C1 257829211 573536586 /nfs/dbraw/zinc/53/65/86/573536586.db2.gz IPNYBABAMBBOHG-QMMMGPOBSA-N 0 0 194.230 1.590 10 0 ADAERN OCCCn1ccc2ncccc21 258053408 573536596 /nfs/dbraw/zinc/53/65/96/573536596.db2.gz FTSWDUHQGWNPKU-UHFFFAOYSA-N 0 0 176.219 1.419 10 0 ADAERN Cc1nc(C(F)(F)C(F)F)n[nH]1 86638955 573536597 /nfs/dbraw/zinc/53/65/97/573536597.db2.gz JUXFSGGCIIOSBE-UHFFFAOYSA-N 0 0 183.108 1.470 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1C[C@H](C)[NH3+] 238431388 573536598 /nfs/dbraw/zinc/53/65/98/573536598.db2.gz UTQCKHVZJYLPSF-QMMMGPOBSA-N 0 0 193.246 1.583 10 0 ADAERN CCc1cc(COC)cc(=O)o1 22005013 572737767 /nfs/dbraw/zinc/73/77/67/572737767.db2.gz PQBOYWNOJCLIEM-UHFFFAOYSA-N 0 0 168.192 1.349 10 0 ADAERN C[C@@H]1Oc2c(cccc2N(C)C)[C@H]1O 238430809 573536612 /nfs/dbraw/zinc/53/66/12/573536612.db2.gz UFZUCSMBEXAZTI-XVKPBYJWSA-N 0 0 193.246 1.567 10 0 ADAERN C[C@H](ON)[C@@H]1CCCCS1 259494732 573536620 /nfs/dbraw/zinc/53/66/20/573536620.db2.gz PXUXEINSISMUIZ-BQBZGAKWSA-N 0 0 161.270 1.551 10 0 ADAERN C[C@H]([NH3+])Cc1ccc(C(=O)[O-])c(F)c1 238431313 573536626 /nfs/dbraw/zinc/53/66/26/573536626.db2.gz RIOWGAQTNGQARK-LURJTMIESA-N 0 0 197.209 1.414 10 0 ADAERN CC1=CC=CCC=C[C@H]2C(=O)N[C@@H]12 254487162 572738809 /nfs/dbraw/zinc/73/88/09/572738809.db2.gz ZTFAXPYTZQSIFV-ZJUUUORDSA-N 0 0 175.231 1.563 10 0 ADAERN CCCn1ccnc1[C@H]1CC[C@@H](O)C1 70771399 572739499 /nfs/dbraw/zinc/73/94/99/572739499.db2.gz QCGZMOOACFHPKS-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN CC(=O)c1cc2c(cc1O)OCC2 107336828 573536648 /nfs/dbraw/zinc/53/66/48/573536648.db2.gz MHFXGOVUXUGYGK-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN CC[C@H](C)C[C@@]1(O)CCCOC1 83506469 573536651 /nfs/dbraw/zinc/53/66/51/573536651.db2.gz SXYSSEAYACDMAZ-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN OC/C=C/CNC/C(Cl)=C\Cl 717467635 573536653 /nfs/dbraw/zinc/53/66/53/573536653.db2.gz QKEKRXRQTJMOIO-SMMBBOSVSA-N 0 0 196.077 1.444 10 0 ADAERN O=C([O-])c1nccn1C1CCCC1 107340352 573536674 /nfs/dbraw/zinc/53/66/74/573536674.db2.gz VNYQZZWLIWHAFW-UHFFFAOYSA-N 0 0 180.207 1.696 10 0 ADAERN Cc1cc(O)c(CON)cc1F 258054325 573536687 /nfs/dbraw/zinc/53/66/87/573536687.db2.gz RRLXCAQMYCSLLJ-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN C[C@@](N)(CF)Nc1ccc(C=O)cc1 238434275 573536691 /nfs/dbraw/zinc/53/66/91/573536691.db2.gz QDNZQIPIBIOYGM-JTQLQIEISA-N 0 0 196.225 1.555 10 0 ADAERN CCOC[C@H](O)c1cnccc1C 85441150 572747404 /nfs/dbraw/zinc/74/74/04/572747404.db2.gz QAVYRVDBIQPLAR-JTQLQIEISA-N 0 0 181.235 1.460 10 0 ADAERN CC1CCC(OC(=O)[C@H](C)N)CC1 95500825 573541501 /nfs/dbraw/zinc/54/15/01/573541501.db2.gz NCCWOZDXJKLBIX-MGURRDGZSA-N 0 0 185.267 1.456 10 0 ADAERN CCC[C@H](O)CC[C@@H](C)CCO 238262184 573541532 /nfs/dbraw/zinc/54/15/32/573541532.db2.gz WLZILGNUYMRSFL-ZJUUUORDSA-N 0 0 174.284 1.946 10 0 ADAERN CNc1ccnn1-c1ccc(O)cc1 107349522 573541541 /nfs/dbraw/zinc/54/15/41/573541541.db2.gz WZBWHWNYNIOQQS-UHFFFAOYSA-N 0 0 189.218 1.620 10 0 ADAERN NOCc1cccc(CCF)c1 258056322 573541571 /nfs/dbraw/zinc/54/15/71/573541571.db2.gz SBGOENSJBRPEBQ-UHFFFAOYSA-N 0 0 169.199 1.589 10 0 ADAERN C[C@@H]1CCC(=O)N[C@H]1CC[C@@H]1CO1 238434355 573541592 /nfs/dbraw/zinc/54/15/92/573541592.db2.gz DXZVNEIQDGVISC-HLTSFMKQSA-N 0 0 183.251 1.080 10 0 ADAERN CO/C(=C/Cl)[C@H]1COC(C)(C)O1 238435135 573541631 /nfs/dbraw/zinc/54/16/31/573541631.db2.gz SLKCSRMQYPLFMF-PTYLAXBQSA-N 0 0 192.642 1.865 10 0 ADAERN Nc1cccc([C@@H]2C[C@H]2O)c1 259500886 573541632 /nfs/dbraw/zinc/54/16/32/573541632.db2.gz YRAQDTBYQYVORD-DTWKUNHWSA-N 0 0 149.193 1.117 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)C(C)(C)O)C1 238434708 573541640 /nfs/dbraw/zinc/54/16/40/573541640.db2.gz MVMNWSKOUQUBEO-HTQZYQBOSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H]([C@H](O)c1ccccc1)N(C)C#N 238435354 573541654 /nfs/dbraw/zinc/54/16/54/573541654.db2.gz CXSRYKFZSZDWNK-ONGXEEELSA-N 0 0 190.246 1.521 10 0 ADAERN Nc1cnc(-c2ccccc2O)nc1 107348285 573541686 /nfs/dbraw/zinc/54/16/86/573541686.db2.gz BMRRZLCWBSZKCG-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ccnc2c(C3CCC3)cnn12 259500622 573541687 /nfs/dbraw/zinc/54/16/87/573541687.db2.gz QQPKWXVWRAXSID-UHFFFAOYSA-N 0 0 188.234 1.579 10 0 ADAERN Nc1cccc([C@H]2C[C@@H]2O)c1 259500884 573541695 /nfs/dbraw/zinc/54/16/95/573541695.db2.gz YRAQDTBYQYVORD-BDAKNGLRSA-N 0 0 149.193 1.117 10 0 ADAERN O=Cc1cncn1-c1cccc(F)c1 107350777 573541697 /nfs/dbraw/zinc/54/16/97/573541697.db2.gz LHPHIGDQUNESNA-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN CCC(CC)Nc1nnnn1C1CC1 308616378 573541699 /nfs/dbraw/zinc/54/16/99/573541699.db2.gz RTYPELZIWZFUKO-UHFFFAOYSA-N 0 0 195.270 1.609 10 0 ADAERN NOCc1cccc2c1OCC2 258056474 573541709 /nfs/dbraw/zinc/54/17/09/573541709.db2.gz SBVMAKRADFEJAF-UHFFFAOYSA-N 0 0 165.192 1.012 10 0 ADAERN C/C=C/Cn1c(C(=O)[O-])c[nH+]c1C 83534424 573541719 /nfs/dbraw/zinc/54/17/19/573541719.db2.gz BSRINOMIBMRPID-ONEGZZNKSA-N 0 0 180.207 1.466 10 0 ADAERN COc1ncccc1-c1cncn1C 238434657 573541722 /nfs/dbraw/zinc/54/17/22/573541722.db2.gz CBAHPEFZRSMBAF-UHFFFAOYSA-N 0 0 189.218 1.491 10 0 ADAERN C/C=C/C=C\NC(=O)OC 205472139 573541750 /nfs/dbraw/zinc/54/17/50/573541750.db2.gz LWRSTTDWRIXPCK-ICWBMWKASA-N 0 0 141.170 1.432 10 0 ADAERN C[C@@H]1O[C@H](C)[C@H](C2(O)CC2)[C@H]1C 83525465 573541779 /nfs/dbraw/zinc/54/17/79/573541779.db2.gz CKJMLYJSKRUYCW-RBXMUDONSA-N 0 0 170.252 1.571 10 0 ADAERN [NH3+]Cc1cncn1-c1cccc(F)c1 107352737 573544203 /nfs/dbraw/zinc/54/42/03/573544203.db2.gz UXBDTLUCSQUZMQ-UHFFFAOYSA-N 0 0 191.209 1.470 10 0 ADAERN C/C=C\CNC(C)(C)c1noc(C)n1 308626879 573545560 /nfs/dbraw/zinc/54/55/60/573545560.db2.gz XAJGJYXPSULVQV-WAYWQWQTSA-N 0 0 195.266 1.779 10 0 ADAERN C[C@H](O)/C=C1/CO[C@@H](C)C1 401859788 572749818 /nfs/dbraw/zinc/74/98/18/572749818.db2.gz QFSNRFCUPLJIFI-AXUBEFTGSA-N 0 0 142.198 1.102 10 0 ADAERN Cc1nccnc1S[C@H](C)CCO 214519542 573545566 /nfs/dbraw/zinc/54/55/66/573545566.db2.gz RNDGHWVNEWIEIY-SSDOTTSWSA-N 0 0 198.291 1.648 10 0 ADAERN CC(C)=C1C(=N)NC(=O)[C@@H]1C 238435953 573545574 /nfs/dbraw/zinc/54/55/74/573545574.db2.gz SSVNWGNACRZFAK-RXMQYKEDSA-N 0 0 152.197 1.066 10 0 ADAERN CCC[NH2+][C@]1(CC(=O)[O-])C[C@H](C)[C@@H]1C 308611181 573545581 /nfs/dbraw/zinc/54/55/81/573545581.db2.gz MVDJJMJCVJNTLR-QXEWZRGKSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1[nH]nc2c1C(=O)c1c(N)cccc1-2 238507456 572751690 /nfs/dbraw/zinc/75/16/90/572751690.db2.gz WOTZLUVQDDBBBR-UHFFFAOYSA-N 0 0 199.213 1.512 10 0 ADAERN CCOC(=O)N(C)Cc1ccc[nH]1 238263967 573545593 /nfs/dbraw/zinc/54/55/93/573545593.db2.gz NGRFGFQVVPNWII-UHFFFAOYSA-N 0 0 182.223 1.603 10 0 ADAERN C[C@@H]1CCC(=O)[C@H]1CCCO 238435626 573545608 /nfs/dbraw/zinc/54/56/08/573545608.db2.gz CMYXANHEULMTEX-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H](NC=O)c1ccc(F)cn1 238435695 573545615 /nfs/dbraw/zinc/54/56/15/573545615.db2.gz SLYNUTWWSTXATG-LURJTMIESA-N 0 0 168.171 1.028 10 0 ADAERN O=C([O-])Cc1ncc2cc(F)ccn12 107358362 573545625 /nfs/dbraw/zinc/54/56/25/573545625.db2.gz UNQRBLVGODONDD-UHFFFAOYSA-N 0 0 194.165 1.101 10 0 ADAERN COc1c(O)cccc1C(N)=S 238436008 573545626 /nfs/dbraw/zinc/54/56/26/573545626.db2.gz FPPTXPDHGYSEDU-UHFFFAOYSA-N 0 0 183.232 1.035 10 0 ADAERN C[C@@H]1[C@@H](c2ccccc2)O[C@@H](O)N1C 238436219 573545630 /nfs/dbraw/zinc/54/56/30/573545630.db2.gz VKWCUOINYUPCAZ-DVVUODLYSA-N 0 0 193.246 1.354 10 0 ADAERN CCC[C@@H](C)[C@H](O)COC(C)=O 308110841 572754301 /nfs/dbraw/zinc/75/43/01/572754301.db2.gz JYJLWYXRNFYFOM-VXNVDRBHSA-N 0 0 174.240 1.347 10 0 ADAERN C=C/C=C\CCC(=O)Cn1cncn1 713745489 572754307 /nfs/dbraw/zinc/75/43/07/572754307.db2.gz OISKLLMQCGPELI-ARJAWSKDSA-N 0 0 191.234 1.370 10 0 ADAERN C[C@@]12CCCO[C@@H]1CC(=O)CC2 238436230 573545639 /nfs/dbraw/zinc/54/56/39/573545639.db2.gz WMTISAXRUFDQEY-ZJUUUORDSA-N 0 0 168.236 1.925 10 0 ADAERN CC(=O)c1cc([C@H](C)O)c(C)nc1C 238435552 573545646 /nfs/dbraw/zinc/54/56/46/573545646.db2.gz VKFFUYLBPVKUBJ-QMMMGPOBSA-N 0 0 193.246 1.954 10 0 ADAERN CCOC(=O)[C@@H]1[C@@H](OC)C1(C)C 259501180 573545652 /nfs/dbraw/zinc/54/56/52/573545652.db2.gz ATASTBUJTIRHIC-NKWVEPMBSA-N 0 0 172.224 1.221 10 0 ADAERN C[C@H]1CCC[N@@H+]1C(C)(C)CC(=O)[O-] 86658173 573545654 /nfs/dbraw/zinc/54/56/54/573545654.db2.gz BHWIZAUQVCEXSD-QMMMGPOBSA-N 0 0 185.267 1.724 10 0 ADAERN COC(=O)C=CNC[C@H](C)C(C)C 308115091 572755361 /nfs/dbraw/zinc/75/53/61/572755361.db2.gz PRAYTDLZXFMCES-UDIARPCQSA-N 0 0 185.267 1.555 10 0 ADAERN Nc1c(O)cccc1C[C@H]1CCOC1 257824836 573545870 /nfs/dbraw/zinc/54/58/70/573545870.db2.gz GZZVXNBIYGYOBE-MRVPVSSYSA-N 0 0 193.246 1.553 10 0 ADAERN C[C@H](CO)[C@H]1C(=O)C(C)(C)C[C@@H]1C 238436475 573545877 /nfs/dbraw/zinc/54/58/77/573545877.db2.gz REXMAOUYDMXBEY-YIZRAAEISA-N 0 0 184.279 1.866 10 0 ADAERN C[C@H](/C=C\c1ccccc1)[C@@H](O)CO 308626715 573545880 /nfs/dbraw/zinc/54/58/80/573545880.db2.gz NGUUCNQSRGMMSJ-ALPGUUAYSA-N 0 0 192.258 1.689 10 0 ADAERN CC(C)C1=C[C@@H](O)CC1 83548559 573545901 /nfs/dbraw/zinc/54/59/01/573545901.db2.gz WOFDGYXAFHSFPE-QMMMGPOBSA-N 0 0 126.199 1.724 10 0 ADAERN NCc1ncc(CC(F)(F)F)o1 83554456 573545913 /nfs/dbraw/zinc/54/59/13/573545913.db2.gz FDCMQNWHLHDADV-UHFFFAOYSA-N 0 0 180.129 1.238 10 0 ADAERN Cc1ccc([S@@](C)=O)c([C@H](C)O)c1 238435959 573545923 /nfs/dbraw/zinc/54/59/23/573545923.db2.gz HYMCMSHGYPCJQH-ISVAXAHUSA-N 0 0 198.287 1.786 10 0 ADAERN C[C@H](CO)[C@@H](O)c1cccs1 238436029 573545931 /nfs/dbraw/zinc/54/59/31/573545931.db2.gz FWAFELRFZPLGQD-HTRCEHHLSA-N 0 0 172.249 1.410 10 0 ADAERN C[C@H](CO)[C@@H]1CCC(=O)[C@@H]1C 238436110 573545965 /nfs/dbraw/zinc/54/59/65/573545965.db2.gz GCISHFMKHHGYCO-PRJMDXOYSA-N 0 0 156.225 1.230 10 0 ADAERN CCCC1=C[C@H](O)CC1 83548571 573545971 /nfs/dbraw/zinc/54/59/71/573545971.db2.gz PNCFRHZEQDHZBY-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN Cc1cnc(N)c(C2=C[C@H](O)CC2)c1 83548780 573546020 /nfs/dbraw/zinc/54/60/20/573546020.db2.gz IONPABLUDGFPEJ-SECBINFHSA-N 0 0 190.246 1.510 10 0 ADAERN C/C=C\[C@H](O)CC(=O)C[C@@H](O)/C=C\C 308626723 573546026 /nfs/dbraw/zinc/54/60/26/573546026.db2.gz NHJNMPHMSCZKDO-SWPCYEOJSA-N 0 0 198.262 1.210 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@]1(C)C[C@@H]1C 714709033 573546043 /nfs/dbraw/zinc/54/60/43/573546043.db2.gz LOEYJXKYFJHJKJ-AZQAYCESSA-N 0 0 167.252 1.415 10 0 ADAERN C[C@H]1C(=O)NC(=O)C12CCCCC2 238436020 573546046 /nfs/dbraw/zinc/54/60/46/573546046.db2.gz ZXLGKYBLEVOCQN-ZETCQYMHSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@H](CCO)[C@H]1CCCC[C@@H]1O 238435701 573546066 /nfs/dbraw/zinc/54/60/66/573546066.db2.gz XZRWFCXGFDMTBU-BBBLOLIVSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@@]12C[C@@H]1CCC2=O 196881922 572755371 /nfs/dbraw/zinc/75/53/71/572755371.db2.gz DSURBEXKVJEOJX-CAHLUQPWSA-N 0 0 110.156 1.376 10 0 ADAERN Nc1ncccc1C1=C[C@@H](O)CC1 83548937 573546070 /nfs/dbraw/zinc/54/60/70/573546070.db2.gz XLEAASFBNVBRNY-QMMMGPOBSA-N 0 0 176.219 1.202 10 0 ADAERN COC(=O)[C@@H]1[C@H](OC)[C@@H]1c1ccco1 259497795 573546087 /nfs/dbraw/zinc/54/60/87/573546087.db2.gz AJIYMJPCPDWRGS-HRDYMLBCSA-N 0 0 196.202 1.181 10 0 ADAERN C[C@H](O)CC[S@@](=O)C(C)(C)C 238435705 573546092 /nfs/dbraw/zinc/54/60/92/573546092.db2.gz HTIQCUNGLMXXLM-WRWORJQWSA-N 0 0 178.297 1.305 10 0 ADAERN [NH3+]C[C@](CC1CCC1)(C(=O)[O-])C1CC1 236213232 572757890 /nfs/dbraw/zinc/75/78/90/572757890.db2.gz IOAFJVSSFIJNNM-NSHDSACASA-N 0 0 197.278 1.616 10 0 ADAERN CCCNC(=O)CNc1ccsc1 85534589 572757899 /nfs/dbraw/zinc/75/78/99/572757899.db2.gz BUXHSADPQNMMQI-UHFFFAOYSA-N 0 0 198.291 1.686 10 0 ADAERN COCO[C@@H](C)[C@H](C)CCO 307911450 572757913 /nfs/dbraw/zinc/75/79/13/572757913.db2.gz IPHBVMNHGZZQLG-SFYZADRCSA-N 0 0 162.229 1.014 10 0 ADAERN Cc1nc(N)cc2nc3ccccn3c12 238523760 572757915 /nfs/dbraw/zinc/75/79/15/572757915.db2.gz TUQJYHPBGHGAGO-UHFFFAOYSA-N 0 0 198.229 1.773 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]([NH+]2CCCC2)C1 86658654 573546117 /nfs/dbraw/zinc/54/61/17/573546117.db2.gz RXZJCSHYQZMFGO-VHSXEESVSA-N 0 0 197.278 1.726 10 0 ADAERN CO/C=C/C[C@@H]1NC(=O)C[C@H]1C 238435787 573546118 /nfs/dbraw/zinc/54/61/18/573546118.db2.gz NMXJWUVWWKVJMB-UPULXCRASA-N 0 0 169.224 1.061 10 0 ADAERN C[C@@H](O)C1(Cc2ccncc2)CC1 235255460 572757927 /nfs/dbraw/zinc/75/79/27/572757927.db2.gz SJOXMLLYJRKMFH-SECBINFHSA-N 0 0 177.247 1.785 10 0 ADAERN Cc1cn2c(nc1=O)[nH]c1ccccc12 238512391 572757940 /nfs/dbraw/zinc/75/79/40/572757940.db2.gz KQELRKOIMCINGR-UHFFFAOYSA-N 0 0 199.213 1.484 10 0 ADAERN C[C@@H](O)C1(Cc2cnn(C)c2)CC1 235255948 572757942 /nfs/dbraw/zinc/75/79/42/572757942.db2.gz ZWNAFCKNVUCMIS-MRVPVSSYSA-N 0 0 180.251 1.124 10 0 ADAERN COC[C@H](C)O[C@@H]1C[C@H](O)C1(C)C 85511676 572757968 /nfs/dbraw/zinc/75/79/68/572757968.db2.gz ISKJYRAMVRKOCP-XHNCKOQMSA-N 0 0 188.267 1.197 10 0 ADAERN Cc1ccc(F)c(C(=O)CN)c1 83553860 573546140 /nfs/dbraw/zinc/54/61/40/573546140.db2.gz KYWOEAXXDYVVEO-UHFFFAOYSA-N 0 0 167.183 1.276 10 0 ADAERN Cc1cc(C2CCC2)[nH]c(=O)n1 259118505 573546156 /nfs/dbraw/zinc/54/61/56/573546156.db2.gz PJHFGICMPDQMMY-UHFFFAOYSA-N 0 0 164.208 1.758 10 0 ADAERN COc1c(O)cccc1[C@@](C)(F)C[NH3+] 257824956 573546164 /nfs/dbraw/zinc/54/61/64/573546164.db2.gz GLAOCLFXXGSOMY-JTQLQIEISA-N 0 0 199.225 1.544 10 0 ADAERN CNC(=O)N(C)c1cccs1 258767714 573546166 /nfs/dbraw/zinc/54/61/66/573546166.db2.gz WSPDDIWEJGZJGV-UHFFFAOYSA-N 0 0 170.237 1.524 10 0 ADAERN Cc1c2ccccc2n2cn[nH]c(=O)c12 238518004 572760241 /nfs/dbraw/zinc/76/02/41/572760241.db2.gz SSVOWSNHRRIEDV-UHFFFAOYSA-N 0 0 199.213 1.484 10 0 ADAERN C[C@@H](O)CSc1cccc(C=O)c1 85536583 572760248 /nfs/dbraw/zinc/76/02/48/572760248.db2.gz NEKZFRHITSIAKK-MRVPVSSYSA-N 0 0 196.271 1.972 10 0 ADAERN C/C=C\COc1cncc(N)c1 307921863 572760258 /nfs/dbraw/zinc/76/02/58/572760258.db2.gz GNIBUKSEQOSQAN-IHWYPQMZSA-N 0 0 164.208 1.619 10 0 ADAERN CC(C)NNCc1ccncc1 83406688 572760260 /nfs/dbraw/zinc/76/02/60/572760260.db2.gz HBWAYDBIHKCBLG-UHFFFAOYSA-N 0 0 165.240 1.084 10 0 ADAERN OCCSCCSCCCF 307912071 572760265 /nfs/dbraw/zinc/76/02/65/572760265.db2.gz XLNABHNPZSJGEL-UHFFFAOYSA-N 0 0 198.328 1.805 10 0 ADAERN CCCCOCCOC1CC(O)C1 85509616 572760278 /nfs/dbraw/zinc/76/02/78/572760278.db2.gz ZEOZWWFAPCFAMF-UHFFFAOYSA-N 0 0 188.267 1.343 10 0 ADAERN COC(=S)SCCC(C)(C)O 307911970 572760292 /nfs/dbraw/zinc/76/02/92/572760292.db2.gz XEUIYSFHDQZLQN-UHFFFAOYSA-N 0 0 194.321 1.812 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2COCCO2)o1 55298349 572760322 /nfs/dbraw/zinc/76/03/22/572760322.db2.gz SKFQIJKLLHXXBT-VIFPVBQESA-N 0 0 196.202 1.186 10 0 ADAERN C/C=C\[C@H](O)C[C@@H]1C[C@@]1(C)O 307922721 572760360 /nfs/dbraw/zinc/76/03/60/572760360.db2.gz MUTNAUPLBNWXFN-SDADWWBGSA-N 0 0 156.225 1.084 10 0 ADAERN CC[C@H](C)[N@H+](C)[C@](C)(CC)C(=O)[O-] 257359720 572760400 /nfs/dbraw/zinc/76/04/00/572760400.db2.gz IJTYRQDKBXMVQH-WCBMZHEXSA-N 0 0 187.283 1.970 10 0 ADAERN O=C(CCCCF)c1cnns1 308115584 572760416 /nfs/dbraw/zinc/76/04/16/572760416.db2.gz MIEQMPGOAQKBBY-UHFFFAOYSA-N 0 0 188.227 1.861 10 0 ADAERN COCCCO[C@@H]1C[C@@H](O)C1(C)C 85510714 572760430 /nfs/dbraw/zinc/76/04/30/572760430.db2.gz IRGBUPGMKUOVDB-RKDXNWHRSA-N 0 0 188.267 1.199 10 0 ADAERN COC(=O)[C@@H]1CCc2c(N)cccc21 257825848 573549168 /nfs/dbraw/zinc/54/91/68/573549168.db2.gz HJWFAQPYLGERAL-SECBINFHSA-N 0 0 191.230 1.472 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH3+])C1CCC1 259505656 573549173 /nfs/dbraw/zinc/54/91/73/573549173.db2.gz RECVPUDSHSTPCO-HTQZYQBOSA-N 0 0 171.240 1.225 10 0 ADAERN CCC[C@@H](OC)C(CC)(CO)CO 238262691 573549186 /nfs/dbraw/zinc/54/91/86/573549186.db2.gz UGTYJEAWJAIMRR-SECBINFHSA-N 0 0 190.283 1.183 10 0 ADAERN COc1ccc(O)cc1[C@H](C)CO 257826160 573549213 /nfs/dbraw/zinc/54/92/13/573549213.db2.gz HDERZFLHHXQBJY-SSDOTTSWSA-N 0 0 182.219 1.497 10 0 ADAERN NCc1ncc(-c2ccoc2)o1 83554454 573549229 /nfs/dbraw/zinc/54/92/29/573549229.db2.gz OOEVOTJXHYMLEU-UHFFFAOYSA-N 0 0 164.164 1.393 10 0 ADAERN O[C@@H]1C=C(C2CCOCC2)CC1 83548615 573549241 /nfs/dbraw/zinc/54/92/41/573549241.db2.gz GWONHGQPVCGKKR-JTQLQIEISA-N 0 0 168.236 1.494 10 0 ADAERN Nc1cc(CC2=C[C@@H](O)CC2)ccn1 83548832 573549267 /nfs/dbraw/zinc/54/92/67/573549267.db2.gz VPJPMIHWZZFINF-JTQLQIEISA-N 0 0 190.246 1.287 10 0 ADAERN Nc1ncccc1CC1=C[C@@H](O)CC1 83548941 573549274 /nfs/dbraw/zinc/54/92/74/573549274.db2.gz FXSMQCMPTMOFOQ-JTQLQIEISA-N 0 0 190.246 1.287 10 0 ADAERN COc1cc(C(=O)CN)ccc1C 83553842 573549313 /nfs/dbraw/zinc/54/93/13/573549313.db2.gz UTLHFCHOSBNHLS-UHFFFAOYSA-N 0 0 179.219 1.145 10 0 ADAERN Cc1cccc([C@H](N)C(F)(F)F)n1 95641799 573549321 /nfs/dbraw/zinc/54/93/21/573549321.db2.gz CFDACXNXCCQZEL-ZETCQYMHSA-N 0 0 190.168 1.952 10 0 ADAERN C/C=C1\C=C(C)C2(CC2)[C@](C)(O)[C@H]1O 308629551 573549324 /nfs/dbraw/zinc/54/93/24/573549324.db2.gz SBQQUUWVEIZPIM-LTJOXERKSA-N 0 0 194.274 1.785 10 0 ADAERN COC(=O)c1cc2cc(=O)[nH]cc2[nH]1 257825732 573549327 /nfs/dbraw/zinc/54/93/27/573549327.db2.gz HGFAEBZOFRPCMH-UHFFFAOYSA-N 0 0 192.174 1.055 10 0 ADAERN Cc1ccc(-c2cnc(CN)o2)o1 83554489 573549333 /nfs/dbraw/zinc/54/93/33/573549333.db2.gz OIGWXHMAGFHFTO-UHFFFAOYSA-N 0 0 178.191 1.702 10 0 ADAERN CC(C)c1cnc2n1CC[C@H](O)C2 257826435 573549341 /nfs/dbraw/zinc/54/93/41/573549341.db2.gz HMASCHFZYQASJS-QMMMGPOBSA-N 0 0 180.251 1.314 10 0 ADAERN CCCn1cc(C2=C[C@H](O)CC2)cn1 83548790 573549359 /nfs/dbraw/zinc/54/93/59/573549359.db2.gz HSLOJJVVOMUIMC-LLVKDONJSA-N 0 0 192.262 1.831 10 0 ADAERN Cc1cc(C)c(NCNN)c(Cl)c1 258768687 573549363 /nfs/dbraw/zinc/54/93/63/573549363.db2.gz YPGSHVMJGGGAKC-UHFFFAOYSA-N 0 0 199.685 1.790 10 0 ADAERN CCn1cc(C2=C[C@@H](O)CC2)cn1 83548952 573549366 /nfs/dbraw/zinc/54/93/66/573549366.db2.gz WVZKAFWWIHSKTJ-JTQLQIEISA-N 0 0 178.235 1.441 10 0 ADAERN CC[N@@H+]([C@H]1CC[C@@H]1C)[C@H](C)CC(=O)[O-] 308629872 573549375 /nfs/dbraw/zinc/54/93/75/573549375.db2.gz YNRQOVMUEVUWFP-AEJSXWLSSA-N 0 0 199.294 1.970 10 0 ADAERN CCOCCC[C@@H]1CCC[C@@H]1O 83552639 573549404 /nfs/dbraw/zinc/54/94/04/573549404.db2.gz KDNFJAIOUDXEQJ-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CO[C@@H](c1ccccc1)[C@H](O)[C@H](C)O 308630008 573549408 /nfs/dbraw/zinc/54/94/08/573549408.db2.gz SRWQWOCMXMLELA-GDPRMGEGSA-N 0 0 196.246 1.116 10 0 ADAERN CCc1nc(CN[C@H](C)C2CC2)no1 308627997 573549416 /nfs/dbraw/zinc/54/94/16/573549416.db2.gz XQHXBILNCFBOTC-SSDOTTSWSA-N 0 0 195.266 1.520 10 0 ADAERN Cc1ccc(C(=O)[C@H]2COCCO2)o1 55298351 572761281 /nfs/dbraw/zinc/76/12/81/572761281.db2.gz SKFQIJKLLHXXBT-SECBINFHSA-N 0 0 196.202 1.186 10 0 ADAERN Cn1nc([C@@H]2Cc3ccccc32)cc1N 85577302 572761287 /nfs/dbraw/zinc/76/12/87/572761287.db2.gz HHFDFOIFNFTWCK-SNVBAGLBSA-N 0 0 199.257 1.690 10 0 ADAERN C[C@H](CNN(C)C)CC(F)F 688711386 572761299 /nfs/dbraw/zinc/76/12/99/572761299.db2.gz HNISEZMTWKUJLI-LURJTMIESA-N 0 0 166.215 1.344 10 0 ADAERN CC[C@@H](C)[N@H+](C)[C@](C)(CC)C(=O)[O-] 257359719 572761304 /nfs/dbraw/zinc/76/13/04/572761304.db2.gz IJTYRQDKBXMVQH-PSASIEDQSA-N 0 0 187.283 1.970 10 0 ADAERN CCCSCCn1ccc(N)n1 70946343 572761343 /nfs/dbraw/zinc/76/13/43/572761343.db2.gz XHFGLYNANYHASS-UHFFFAOYSA-N 0 0 185.296 1.609 10 0 ADAERN COc1ccc(/C=C\CON)cc1C 714546677 572761351 /nfs/dbraw/zinc/76/13/51/572761351.db2.gz LPVUKDVJVNFRIG-ARJAWSKDSA-N 0 0 193.246 1.907 10 0 ADAERN Cc1ccc(C(=O)CN)cc1F 83553852 573549451 /nfs/dbraw/zinc/54/94/51/573549451.db2.gz HZMGJKJMEKGIMX-UHFFFAOYSA-N 0 0 167.183 1.276 10 0 ADAERN Cc1c(N)noc1-c1ccc(O)cc1 257826288 573549457 /nfs/dbraw/zinc/54/94/57/573549457.db2.gz HNXSZBQTWPSNTJ-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN COCCCn1ccc(C=O)c1 85581211 572766594 /nfs/dbraw/zinc/76/65/94/572766594.db2.gz LBOAIQZEFCPEGK-UHFFFAOYSA-N 0 0 167.208 1.337 10 0 ADAERN C/C=C\C(=O)NCCC(C)C 144510564 573549460 /nfs/dbraw/zinc/54/94/60/573549460.db2.gz DZKOWZIYFGAJQI-PLNGDYQASA-N 0 0 155.241 1.725 10 0 ADAERN O=C1CCC=CC=CC[C@H](O)CO1 308121876 572767042 /nfs/dbraw/zinc/76/70/42/572767042.db2.gz MHLZMYUFQYNVAZ-VIFPVBQESA-N 0 0 182.219 1.187 10 0 ADAERN C[C@H](O)[C@@H](F)[C@H]1CCC[N@H+](C)C1 257826003 573549475 /nfs/dbraw/zinc/54/94/75/573549475.db2.gz HIRGQSWDOYEROY-XHNCKOQMSA-N 0 0 175.247 1.047 10 0 ADAERN CCCC[C@@H](CCCO)OC(C)=O 308122101 572767206 /nfs/dbraw/zinc/76/72/06/572767206.db2.gz MXCBOISVQODCOQ-JTQLQIEISA-N 0 0 188.267 1.881 10 0 ADAERN Cc1occc1-c1cnc(CN)o1 83554453 573549487 /nfs/dbraw/zinc/54/94/87/573549487.db2.gz KHVOLWMPSUWUSO-UHFFFAOYSA-N 0 0 178.191 1.702 10 0 ADAERN O[C@H]1C=C(c2ccoc2)CC1 83548767 573549499 /nfs/dbraw/zinc/54/94/99/573549499.db2.gz AKPCEKRFZMPSLA-SECBINFHSA-N 0 0 150.177 1.818 10 0 ADAERN CC1=C[C@@H](O)CC1 83548741 573549508 /nfs/dbraw/zinc/54/95/08/573549508.db2.gz ZSIRHTQYODRYMQ-LURJTMIESA-N 0 0 98.145 1.087 10 0 ADAERN COCCCCC(=O)C(F)F 307924748 572772153 /nfs/dbraw/zinc/77/21/53/572772153.db2.gz PEUBYDZULMIKPL-UHFFFAOYSA-N 0 0 166.167 1.637 10 0 ADAERN O[C@@H]1C=C(c2cncnc2)CC1 83549246 573549513 /nfs/dbraw/zinc/54/95/13/573549513.db2.gz YJDXKMBCVWBIMK-VIFPVBQESA-N 0 0 162.192 1.015 10 0 ADAERN CC(C)c1nnn(C2CCC2)c1C=O 257826290 573549519 /nfs/dbraw/zinc/54/95/19/573549519.db2.gz HNXXCELVTQVIFO-UHFFFAOYSA-N 0 0 193.250 1.939 10 0 ADAERN O[C@H]1CC[C@@H](Oc2ccncc2)C1 259501710 573549526 /nfs/dbraw/zinc/54/95/26/573549526.db2.gz JKHKTMUAXMZAOQ-WCBMZHEXSA-N 0 0 179.219 1.374 10 0 ADAERN C[C@@H](N)c1ncc([C@H]2CCCCO2)o1 83554552 573554638 /nfs/dbraw/zinc/55/46/38/573554638.db2.gz JCDOQZVOKKGTRM-HTQZYQBOSA-N 0 0 196.250 1.936 10 0 ADAERN CS/C=C\C(=O)NC[C@@H]1C[C@H]1C 307927942 572776691 /nfs/dbraw/zinc/77/66/91/572776691.db2.gz AOGZOFFPJGDABF-WLFSLNMXSA-N 0 0 185.292 1.635 10 0 ADAERN C/C=C\[C@@H](O)CCC1OCCO1 307930405 572777897 /nfs/dbraw/zinc/77/78/97/572777897.db2.gz AKSVZPIJSPWNCC-YAJNLLPGSA-N 0 0 172.224 1.077 10 0 ADAERN CCC[C@@H](C)[C@H]([NH3+])C(C)(C)C(=O)[O-] 308118355 572777898 /nfs/dbraw/zinc/77/78/98/572777898.db2.gz BDTUAECJYRRRAF-SFYZADRCSA-N 0 0 187.283 1.861 10 0 ADAERN CCCC[C@H](C)NC=CC(=O)OC 308118763 572777901 /nfs/dbraw/zinc/77/79/01/572777901.db2.gz YBYUKUIEMAFULN-FUOZMLNRSA-N 0 0 185.267 1.841 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](c1cc[nH]c1)[NH+](C)C 259506108 573556914 /nfs/dbraw/zinc/55/69/14/573556914.db2.gz LZYJMOHRUCNWES-APPZFPTMSA-N 0 0 196.250 1.338 10 0 ADAERN C[C@H](CO)c1ccc(C=O)cc1 238438622 573556920 /nfs/dbraw/zinc/55/69/20/573556920.db2.gz NNASJWMPVKLDID-MRVPVSSYSA-N 0 0 164.204 1.595 10 0 ADAERN COc1c(O)cncc1C(F)F 238438847 573556927 /nfs/dbraw/zinc/55/69/27/573556927.db2.gz YMFGMUACBPUDFA-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN C[C@H]1c2ccccc2C(=O)[C@@H]1CCO 238438824 573556974 /nfs/dbraw/zinc/55/69/74/573556974.db2.gz HZJBEBQGVZLSEA-WCBMZHEXSA-N 0 0 190.242 1.985 10 0 ADAERN [NH3+]CCc1cc(F)c(F)c([O-])c1F 259507121 573556979 /nfs/dbraw/zinc/55/69/79/573556979.db2.gz RPGFIUKZJVIUKJ-UHFFFAOYSA-N 0 0 191.152 1.311 10 0 ADAERN Nc1nc(COc2ccccc2)co1 258060422 573556994 /nfs/dbraw/zinc/55/69/94/573556994.db2.gz GEGYNJVHHBIHKY-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN C[C@@H]1CC[C@@H](C)CC(C(N)=O)C1 238439226 573557006 /nfs/dbraw/zinc/55/70/06/573557006.db2.gz HIYRCYPOYHTBRJ-HTQZYQBOSA-N 0 0 169.268 1.934 10 0 ADAERN N#CN1C[C@H](C2CCCCC2)NC1=O 259504511 573557021 /nfs/dbraw/zinc/55/70/21/573557021.db2.gz QMTUIJPDMCOQHJ-SECBINFHSA-N 0 0 193.250 1.442 10 0 ADAERN CC[C@@H]1COC(C)(C)O[C@H]1CCO 211906770 573557036 /nfs/dbraw/zinc/55/70/36/573557036.db2.gz RDZJMACKEDTJEE-BDAKNGLRSA-N 0 0 188.267 1.547 10 0 ADAERN Cc1snc(N)c1Cl 107397515 573557043 /nfs/dbraw/zinc/55/70/43/573557043.db2.gz RVNUDMPCKUTLLS-UHFFFAOYSA-N 0 0 148.618 1.687 10 0 ADAERN O=Cc1c(O)ccc2c1OCCCO2 211907416 573557051 /nfs/dbraw/zinc/55/70/51/573557051.db2.gz YZVJMBCLSBJRLO-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN Cn1ccc([C@H](O)C(C)(C)C)n1 83572481 573557088 /nfs/dbraw/zinc/55/70/88/573557088.db2.gz DTICCFCFXUJSOS-QMMMGPOBSA-N 0 0 168.240 1.500 10 0 ADAERN C[C@H](O)c1cccc2c1ncn2C 258060346 573557105 /nfs/dbraw/zinc/55/71/05/573557105.db2.gz SNHSOBWSPLMLLQ-ZETCQYMHSA-N 0 0 176.219 1.627 10 0 ADAERN CCCC[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 258773218 573557110 /nfs/dbraw/zinc/55/71/10/573557110.db2.gz YZPJNBCTSVIPBH-YUMQZZPRSA-N 0 0 171.240 1.097 10 0 ADAERN C[C@H]1CC=C([C@@](C)(O)CO)CC1 238438937 573557117 /nfs/dbraw/zinc/55/71/17/573557117.db2.gz CFOYGOBXDWKNRI-WPRPVWTQSA-N 0 0 170.252 1.476 10 0 ADAERN Nc1cnnc([C@@H]2CCCCO2)c1 259505187 573557136 /nfs/dbraw/zinc/55/71/36/573557136.db2.gz RHXKEEQVHBJAGE-VIFPVBQESA-N 0 0 179.223 1.300 10 0 ADAERN COCC1=CCCC(=O)CC1 223130833 573557141 /nfs/dbraw/zinc/55/71/41/573557141.db2.gz UKQLFEMQCYBAJY-UHFFFAOYSA-N 0 0 154.209 1.702 10 0 ADAERN COc1c(CCO)c(C(C)C)nn1C 258060494 573557150 /nfs/dbraw/zinc/55/71/50/573557150.db2.gz VCYNLZATTYZIMY-UHFFFAOYSA-N 0 0 198.266 1.087 10 0 ADAERN NCc1nc(C2CCSCC2)co1 258060793 573557188 /nfs/dbraw/zinc/55/71/88/573557188.db2.gz KTJWTMPVPCXJOK-UHFFFAOYSA-N 0 0 198.291 1.744 10 0 ADAERN C[C@@H]1Cc2ccncc2C1=O 107397385 573557208 /nfs/dbraw/zinc/55/72/08/573557208.db2.gz DLXQYEZZWUWSFA-ZCFIWIBFSA-N 0 0 147.177 1.457 10 0 ADAERN CC(C)c1cc(N)ns1 107396847 573557220 /nfs/dbraw/zinc/55/72/20/573557220.db2.gz QVUMPVQCSCBMNO-UHFFFAOYSA-N 0 0 142.227 1.849 10 0 ADAERN CC(C)n1c2c([nH]c1=O)C[C@H](C)CC2 258060314 573557222 /nfs/dbraw/zinc/55/72/22/573557222.db2.gz SMIYNPORUGXMES-MRVPVSSYSA-N 0 0 194.278 1.882 10 0 ADAERN CC(=O)[C@@H](O)C1=CC[C@H](C)CC1 238439121 573557234 /nfs/dbraw/zinc/55/72/34/573557234.db2.gz WIZXAVDOXXKVAN-OIBJUYFYSA-N 0 0 168.236 1.683 10 0 ADAERN Cc1ccc([C@@H](C)NC(N)=S)cc1 49558024 572776894 /nfs/dbraw/zinc/77/68/94/572776894.db2.gz SQSCJVLMAKSXOT-MRVPVSSYSA-N 0 0 194.303 1.889 10 0 ADAERN O[C@H](CCCCF)[C@H](O)C1CC1 308117587 572776911 /nfs/dbraw/zinc/77/69/11/572776911.db2.gz NHCNXTRIQZUQGS-RKDXNWHRSA-N 0 0 176.231 1.258 10 0 ADAERN CS/C=C/C(=O)NC[C@@H]1C[C@@H]1C 307927941 572776932 /nfs/dbraw/zinc/77/69/32/572776932.db2.gz AOGZOFFPJGDABF-HENSLRDNSA-N 0 0 185.292 1.635 10 0 ADAERN CC/C=C/C(=O)OCC1CC1 307927145 572776933 /nfs/dbraw/zinc/77/69/33/572776933.db2.gz SAYNKNUIFPMESG-ONEGZZNKSA-N 0 0 154.209 1.906 10 0 ADAERN CC(C)C[C@H](C)[NH2+]C/C=C\C(=O)[O-] 308117746 572776949 /nfs/dbraw/zinc/77/69/49/572776949.db2.gz VYXBGNWRSVYAEW-WBSSQXGSSA-N 0 0 185.267 1.651 10 0 ADAERN CCC[C@@H](C)[C@@H]([NH3+])C(C)(C)C(=O)[O-] 308118353 572776969 /nfs/dbraw/zinc/77/69/69/572776969.db2.gz BDTUAECJYRRRAF-HTQZYQBOSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@@H](OC)C(=O)c1ccc[nH]1 307928543 572777024 /nfs/dbraw/zinc/77/70/24/572777024.db2.gz ANTNAJXXMMZCQO-MRVPVSSYSA-N 0 0 167.208 1.622 10 0 ADAERN COCC[C@@H](C)C(=O)C(C)(C)F 308117563 572777045 /nfs/dbraw/zinc/77/70/45/572777045.db2.gz NGJFKTIHZXTGSP-SSDOTTSWSA-N 0 0 176.231 1.976 10 0 ADAERN CO[C@@H]1CCCC/C1=C\[C@H](C)O 234834094 572777055 /nfs/dbraw/zinc/77/70/55/572777055.db2.gz XSNYKHHGWDEAKX-BJHGEIEHSA-N 0 0 170.252 1.883 10 0 ADAERN COc1cccc(/C=C\[C@H](C)O)n1 308118815 572777069 /nfs/dbraw/zinc/77/70/69/572777069.db2.gz YIDMYPBPEDATBE-UAPHAKCISA-N 0 0 179.219 1.484 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]CCC(C)C 308118767 572777074 /nfs/dbraw/zinc/77/70/74/572777074.db2.gz YCNSHAMZRWPGNQ-TWGQIWQCSA-N 0 0 185.267 1.653 10 0 ADAERN C[C@@]12C=C[C@H](O)[C@@](CCO)(CCC1)C2 238439067 573557267 /nfs/dbraw/zinc/55/72/67/573557267.db2.gz DVMJTWNGDWIIKG-SDDRHHMPSA-N 0 0 196.290 1.866 10 0 ADAERN Cc1cccc(/C=C(\[NH3+])C(=O)[O-])c1 308117760 572777727 /nfs/dbraw/zinc/77/77/27/572777727.db2.gz WCPYJEWNGCGYHG-TWGQIWQCSA-N 0 0 177.203 1.379 10 0 ADAERN O[C@@H](C1=CCCO1)c1ccc(F)nc1 686124618 572777729 /nfs/dbraw/zinc/77/77/29/572777729.db2.gz DPRMDNIVLPKDGV-SNVBAGLBSA-N 0 0 195.193 1.558 10 0 ADAERN CC(C)C(=O)N[C@H](C)CC(F)F 307929260 572777760 /nfs/dbraw/zinc/77/77/60/572777760.db2.gz BFWUAKBWKPTOBM-ZCFIWIBFSA-N 0 0 179.210 1.802 10 0 ADAERN C[C@H]1COCC(C)(C)C1=O 107396843 573557278 /nfs/dbraw/zinc/55/72/78/573557278.db2.gz HVTIQPFOPCRPOG-LURJTMIESA-N 0 0 142.198 1.248 10 0 ADAERN C/C(=C\C[NH2+][C@H](C)C1CC1)C(=O)[O-] 308118137 572777825 /nfs/dbraw/zinc/77/78/25/572777825.db2.gz WQOWNAUMENKKDF-WVXIBAHESA-N 0 0 183.251 1.405 10 0 ADAERN Nc1cccc(N[C@H]2CCCOC2)c1 71012172 572777850 /nfs/dbraw/zinc/77/78/50/572777850.db2.gz JTLXYXNHBGMBOC-NSHDSACASA-N 0 0 192.262 1.860 10 0 ADAERN COc1c(CCO)cnn1C(C)C 258060038 573557283 /nfs/dbraw/zinc/55/72/83/573557283.db2.gz RZGIXXRGSUDBAB-UHFFFAOYSA-N 0 0 184.239 1.007 10 0 ADAERN CCC[C@@](N)(C(=O)OC)[C@@H](C)F 257830273 573559502 /nfs/dbraw/zinc/55/95/02/573559502.db2.gz JEVBOXLEGSPVBT-SVRRBLITSA-N 0 0 177.219 1.015 10 0 ADAERN Cn1ccc([C@H](N)c2cccs2)n1 83573271 573559520 /nfs/dbraw/zinc/55/95/20/573559520.db2.gz RWCOGHKPVICTCT-VIFPVBQESA-N 0 0 193.275 1.530 10 0 ADAERN CC(C)n1c2c([nH]c1=O)C[C@@H](C)CC2 258060317 573559521 /nfs/dbraw/zinc/55/95/21/573559521.db2.gz SMIYNPORUGXMES-QMMMGPOBSA-N 0 0 194.278 1.882 10 0 ADAERN CC(=O)c1n[nH]c2c1[C@H](F)CCC2 257830612 573559522 /nfs/dbraw/zinc/55/95/22/573559522.db2.gz JIWYMLAJZWFIIT-ZCFIWIBFSA-N 0 0 182.198 1.959 10 0 ADAERN CC(C)C(=O)c1ccn(C)n1 83571879 573559534 /nfs/dbraw/zinc/55/95/34/573559534.db2.gz JUADYRWZNUQAAG-UHFFFAOYSA-N 0 0 152.197 1.259 10 0 ADAERN OC[C@H](c1ccc(O)cc1)C1CC1 259614256 573559541 /nfs/dbraw/zinc/55/95/41/573559541.db2.gz DWHCZESEPIAYRF-NSHDSACASA-N 0 0 178.231 1.878 10 0 ADAERN COc1nncc(-c2ccco2)c1N 258060835 573559545 /nfs/dbraw/zinc/55/95/45/573559545.db2.gz VHEBAIWUYKKYSV-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN CC(C)c1cn(C)nc1CO 257830979 573559548 /nfs/dbraw/zinc/55/95/48/573559548.db2.gz JUVBURBSRPWCQH-UHFFFAOYSA-N 0 0 154.213 1.036 10 0 ADAERN C[C@]12OCC(=O)[C@@H]1[C@@H]1CCC[C@@H]12 238440273 573559584 /nfs/dbraw/zinc/55/95/84/573559584.db2.gz KAEJJKAMFDOGQR-GOZTYBTRSA-N 0 0 166.220 1.391 10 0 ADAERN Cn1ccc(C(=O)C2CCCC2)n1 83571964 573559598 /nfs/dbraw/zinc/55/95/98/573559598.db2.gz VSPGIOSREIBVCK-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN C[NH2+]Cc1ccc(C(=O)[O-])cc1OC 258061547 573559604 /nfs/dbraw/zinc/55/96/04/573559604.db2.gz GJEDYPGNINCMCY-UHFFFAOYSA-N 0 0 195.218 1.113 10 0 ADAERN Nc1ccc(F)c(F)c1-n1cnnc1 236349717 573559605 /nfs/dbraw/zinc/55/96/05/573559605.db2.gz HNVFDGLNOPWXSU-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CC[C@H]1C=C[C@H](O)CC1 145141608 573559617 /nfs/dbraw/zinc/55/96/17/573559617.db2.gz ILDLJVYYPUAOTD-YUMQZZPRSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H](O)c1ncc2cccc(F)n12 257830585 573559634 /nfs/dbraw/zinc/55/96/34/573559634.db2.gz JHRYLDHTMZLPDG-LURJTMIESA-N 0 0 180.182 1.527 10 0 ADAERN CC1(C[C@H]2COC[C@@H]2O)CCCC1 687984313 573559658 /nfs/dbraw/zinc/55/96/58/573559658.db2.gz XYIKPTDVWLXLEY-UWVGGRQHSA-N 0 0 184.279 1.964 10 0 ADAERN COc1ccccc1[C@@](C)(F)CO 257831002 573559693 /nfs/dbraw/zinc/55/96/93/573559693.db2.gz JVTXINAWEOTPIO-JTQLQIEISA-N 0 0 184.210 1.872 10 0 ADAERN CC(=O)N(C)c1ccc([C@H](C)O)cc1 238439982 573559751 /nfs/dbraw/zinc/55/97/51/573559751.db2.gz GGFGLRVGOCDVET-QMMMGPOBSA-N 0 0 193.246 1.723 10 0 ADAERN N[C@H](F)C1=CCCCC1 257830432 573559762 /nfs/dbraw/zinc/55/97/62/573559762.db2.gz JKIRFHHBNWXBAT-ZETCQYMHSA-N 0 0 129.178 1.741 10 0 ADAERN CC(=O)[C@H](C)[C@H](O)c1ccccn1 141569026 572778748 /nfs/dbraw/zinc/77/87/48/572778748.db2.gz DYDAFRUUJLDDRN-XVKPBYJWSA-N 0 0 179.219 1.340 10 0 ADAERN CCC[C@@](C)(O)C/C=C\CO 307929667 572779084 /nfs/dbraw/zinc/77/90/84/572779084.db2.gz USLKLHNUVAHBIS-XRVBUDJMSA-N 0 0 158.241 1.476 10 0 ADAERN CC(=O)COC(=O)C1(F)CCC1 307928874 572779828 /nfs/dbraw/zinc/77/98/28/572779828.db2.gz ATVUGCMXHYVRMM-UHFFFAOYSA-N 0 0 174.171 1.011 10 0 ADAERN C[C@](F)(CC1CC[NH2+]CC1)C(=O)[O-] 257830638 573559774 /nfs/dbraw/zinc/55/97/74/573559774.db2.gz JAETUIHRXZFYPK-VIFPVBQESA-N 0 0 189.230 1.189 10 0 ADAERN Cn1ccc([C@@H](O)C2CCCC2)n1 83572547 573559821 /nfs/dbraw/zinc/55/98/21/573559821.db2.gz LMCBENJMOQZQRX-JTQLQIEISA-N 0 0 180.251 1.644 10 0 ADAERN CCCCCc1nonc1N 75412818 573559838 /nfs/dbraw/zinc/55/98/38/573559838.db2.gz NATSYMIHVGNTRH-UHFFFAOYSA-N 0 0 155.201 1.385 10 0 ADAERN Cc1nc(C2N=NC(=O)O2)cs1 83576408 573559848 /nfs/dbraw/zinc/55/98/48/573559848.db2.gz QCVAXDBJCROQHE-UHFFFAOYSA-N 0 0 183.192 1.207 10 0 ADAERN Cc1ccc(O)c2c1[C@@H]([NH3+])CC2=O 713752542 572784721 /nfs/dbraw/zinc/78/47/21/572784721.db2.gz GUVVCZRHWTWOCB-LURJTMIESA-N 0 0 177.203 1.287 10 0 ADAERN Cn1cc([C@@H](O)CC2CC2)cn1 83572092 573559856 /nfs/dbraw/zinc/55/98/56/573559856.db2.gz AZBJPVWZKMCVQN-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN CC(=O)[C@@H]1CCS[C@H]1C 107397141 573559868 /nfs/dbraw/zinc/55/98/68/573559868.db2.gz CUJPWSNQEVRWCV-BQBZGAKWSA-N 0 0 144.239 1.717 10 0 ADAERN C[C@@](F)(CC1CC[NH2+]CC1)C(=O)[O-] 257830637 573559869 /nfs/dbraw/zinc/55/98/69/573559869.db2.gz JAETUIHRXZFYPK-SECBINFHSA-N 0 0 189.230 1.189 10 0 ADAERN O=C(CCCO)c1cncc(F)c1 236486151 572785400 /nfs/dbraw/zinc/78/54/00/572785400.db2.gz OPEKWFHMKGIIFH-UHFFFAOYSA-N 0 0 183.182 1.176 10 0 ADAERN CC[C@@H]1C=C[C@@H](O)CC1 145142185 573559879 /nfs/dbraw/zinc/55/98/79/573559879.db2.gz ILDLJVYYPUAOTD-HTQZYQBOSA-N 0 0 126.199 1.724 10 0 ADAERN CN[C@H](c1ccoc1)c1ccn(C)n1 83573914 573559882 /nfs/dbraw/zinc/55/98/82/573559882.db2.gz UFULIOYSFVMTEZ-SNVBAGLBSA-N 0 0 191.234 1.322 10 0 ADAERN NC(=O)[C@@H]1Cc2ccc3ccccc3c21 238545556 572785526 /nfs/dbraw/zinc/78/55/26/572785526.db2.gz SHGUQMBHGVAHKR-LLVKDONJSA-N 0 0 197.237 1.965 10 0 ADAERN C[C@H](O)CC[C@H](O)CC(F)(F)F 307932280 572785532 /nfs/dbraw/zinc/78/55/32/572785532.db2.gz CRUGQOSZNHRKHV-WDSKDSINSA-N 0 0 186.173 1.461 10 0 ADAERN CC[C@H](O)C/C=C\C[C@@H](C)CO 307932820 572785549 /nfs/dbraw/zinc/78/55/49/572785549.db2.gz GCXBFYXHEFNUQT-OOMSKYPHSA-N 0 0 172.268 1.722 10 0 ADAERN Nc1sncc1Cl 107396136 573559896 /nfs/dbraw/zinc/55/98/96/573559896.db2.gz HXSISLUNTZEHCK-UHFFFAOYSA-N 0 0 134.591 1.379 10 0 ADAERN OCCC[C@H](O)CC[C@@H]1CCCO1 236495394 572786830 /nfs/dbraw/zinc/78/68/30/572786830.db2.gz YANAYSBOJSYQRL-UWVGGRQHSA-N 0 0 188.267 1.079 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2c(O)ccc(Cl)c21 713752701 572787112 /nfs/dbraw/zinc/78/71/12/572787112.db2.gz IJRRISGXCQRLSX-RXMQYKEDSA-N 0 0 197.621 1.632 10 0 ADAERN C/C=C1\CC[C@H]1O 307766473 572787121 /nfs/dbraw/zinc/78/71/21/572787121.db2.gz DQDZFZRRHXOWAF-AOPYWJJESA-N 0 0 98.145 1.087 10 0 ADAERN OCC[C@H]1CCc2cccc(O)c2N1 257830690 573559936 /nfs/dbraw/zinc/55/99/36/573559936.db2.gz JCQOAXZFFUSUAW-SECBINFHSA-N 0 0 193.246 1.501 10 0 ADAERN CC[C@@H](O)C/C=C/C[C@@H](C)CO 307932819 572787151 /nfs/dbraw/zinc/78/71/51/572787151.db2.gz GCXBFYXHEFNUQT-NUNSBDKSSA-N 0 0 172.268 1.722 10 0 ADAERN C=CS(=O)(=O)N(C)[C@@H](C)CCC 308131092 572787166 /nfs/dbraw/zinc/78/71/66/572787166.db2.gz XPIXGDIUQHGNLF-QMMMGPOBSA-N 0 0 191.296 1.580 10 0 ADAERN [NH3+][C@H]1CC(=O)c2ccc([O-])c(Cl)c21 713752448 572787184 /nfs/dbraw/zinc/78/71/84/572787184.db2.gz FROWUMKVWJFPKK-YFKPBYRVSA-N 0 0 197.621 1.632 10 0 ADAERN C[C@H]1C[NH+]=C(c2ccccc2[S-])N1 238440100 573561131 /nfs/dbraw/zinc/56/11/31/573561131.db2.gz KIQIMVWXPHCIHS-ZETCQYMHSA-N 0 0 192.287 1.714 10 0 ADAERN CCONCCc1ccsc1 78642963 573561140 /nfs/dbraw/zinc/56/11/40/573561140.db2.gz LGHMRHSXWWSYLO-UHFFFAOYSA-N 0 0 171.265 1.832 10 0 ADAERN CC(C)C[C@]1(C)OC[C@@H](CCO)O1 258781279 573561145 /nfs/dbraw/zinc/56/11/45/573561145.db2.gz QBKJEPLCCFFNNY-NXEZZACHSA-N 0 0 188.267 1.547 10 0 ADAERN CCCCc1ncncc1C(=O)OC 238268521 573561172 /nfs/dbraw/zinc/56/11/72/573561172.db2.gz LQTAKZPIQNNBIJ-UHFFFAOYSA-N 0 0 194.234 1.606 10 0 ADAERN C=Cc1nc(-c2cnn(C)c2)no1 83571364 573561177 /nfs/dbraw/zinc/56/11/77/573561177.db2.gz UMKIFGXQPDAHGJ-UHFFFAOYSA-N 0 0 176.179 1.113 10 0 ADAERN CCC[C@H](OCC)[C@H](O)C(C)=O 238268111 573561208 /nfs/dbraw/zinc/56/12/08/573561208.db2.gz IVXKWDFLZSCIGK-DTWKUNHWSA-N 0 0 174.240 1.142 10 0 ADAERN c1oc([C@H]2COCCN2)nc1C1CC1 257830276 573561216 /nfs/dbraw/zinc/56/12/16/573561216.db2.gz IZSNIZUYYBZUHD-SECBINFHSA-N 0 0 194.234 1.213 10 0 ADAERN O=C1C[C@H]([C@H]2CCCS2)CN1 257831076 573561235 /nfs/dbraw/zinc/56/12/35/573561235.db2.gz JLHUFBPSDKCSFP-NKWVEPMBSA-N 0 0 171.265 1.018 10 0 ADAERN Cc1cc(Cc2ccc(N)s2)n[nH]1 257564056 572795057 /nfs/dbraw/zinc/79/50/57/572795057.db2.gz VLTWTROEEMACSI-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN C[C@](N)(C#N)c1cccc([N+](=O)[O-])c1 95758274 573561242 /nfs/dbraw/zinc/56/12/42/573561242.db2.gz CDMVTUNTTIPYGM-VIFPVBQESA-N 0 0 191.190 1.292 10 0 ADAERN CC(C)C[C@@H](O)c1ccn(C)n1 83572303 573561249 /nfs/dbraw/zinc/56/12/49/573561249.db2.gz UARVUHSAFIIZLD-SECBINFHSA-N 0 0 168.240 1.500 10 0 ADAERN CC(C)C[C@H](C)N1CCC(=O)C1=O 49646933 572795233 /nfs/dbraw/zinc/79/52/33/572795233.db2.gz ZILCASZRKGHSMA-QMMMGPOBSA-N 0 0 183.251 1.222 10 0 ADAERN O=C1CCSCC12CCC2 107399529 573561251 /nfs/dbraw/zinc/56/12/51/573561251.db2.gz WRGXXYZZOAFXIW-UHFFFAOYSA-N 0 0 156.250 1.863 10 0 ADAERN Nc1occc1Cc1ccncc1 257564437 572795236 /nfs/dbraw/zinc/79/52/36/572795236.db2.gz JRWSBFDFVUIHLS-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1ccc(Cc2cnco2)o1 257564351 572795254 /nfs/dbraw/zinc/79/52/54/572795254.db2.gz HQMMQBSWSCKMQU-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Cc1cc2c(cc1F)SC(=O)[C@@H]2N 257563974 572795267 /nfs/dbraw/zinc/79/52/67/572795267.db2.gz CNCRNLSIGQQHGR-MRVPVSSYSA-N 0 0 197.234 1.766 10 0 ADAERN O=C1CCN(c2cccc(F)c2)C1=O 49646750 572795279 /nfs/dbraw/zinc/79/52/79/572795279.db2.gz SZVOENPIEZRXMF-UHFFFAOYSA-N 0 0 193.177 1.132 10 0 ADAERN CCCC[C@@](C)(C(=O)[O-])[NH+](C)C 117853180 572795280 /nfs/dbraw/zinc/79/52/80/572795280.db2.gz ONAJZGPEBXNTHZ-VIFPVBQESA-N 0 0 173.256 1.582 10 0 ADAERN Nc1occc1Cc1ncco1 257563960 572795281 /nfs/dbraw/zinc/79/52/81/572795281.db2.gz CFORVKRGUHPMEQ-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Nc1sccc1Cc1cn[nH]c1 257563844 572795304 /nfs/dbraw/zinc/79/53/04/572795304.db2.gz PKNMMILXLIKLHF-UHFFFAOYSA-N 0 0 179.248 1.644 10 0 ADAERN Cc1n[nH]cc1Cc1csc(N)c1 257563652 572795307 /nfs/dbraw/zinc/79/53/07/572795307.db2.gz KIJDOBIAHVHNJN-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN Cc1cc(C[C@@H](O)C[NH+](C)C)cs1 308128580 572795318 /nfs/dbraw/zinc/79/53/18/572795318.db2.gz CHAMDEXKHILPNV-SNVBAGLBSA-N 0 0 199.319 1.522 10 0 ADAERN Nc1ccc(Cc2ccon2)s1 257564076 572795324 /nfs/dbraw/zinc/79/53/24/572795324.db2.gz WLKSUOQHELFLML-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN CC[C@H](CC(F)F)CC(CO)CO 687931455 572795328 /nfs/dbraw/zinc/79/53/28/572795328.db2.gz PIGDALWAJMZLHF-ZETCQYMHSA-N 0 0 196.237 1.659 10 0 ADAERN Cc1ncc(Cc2ccoc2N)o1 257563929 572795383 /nfs/dbraw/zinc/79/53/83/572795383.db2.gz BDROBNJTSBZDMV-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Cn1c(N)cnc1-c1ccco1 257564376 572795395 /nfs/dbraw/zinc/79/53/95/572795395.db2.gz INLGBKZWCMEGKJ-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CC[C@@H](CC(F)F)CC(CO)CO 687931454 572795396 /nfs/dbraw/zinc/79/53/96/572795396.db2.gz PIGDALWAJMZLHF-SSDOTTSWSA-N 0 0 196.237 1.659 10 0 ADAERN Nc1sccc1Cc1ncco1 257563775 572795414 /nfs/dbraw/zinc/79/54/14/572795414.db2.gz MMMDNEUZLLCKEL-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Nc1sccc1Cc1cnoc1 257563441 572795424 /nfs/dbraw/zinc/79/54/24/572795424.db2.gz BXPPUESIOMCWRJ-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Nc1ccc(Cc2cnoc2)s1 257563665 572796084 /nfs/dbraw/zinc/79/60/84/572796084.db2.gz KYUZXYZPJSAGHQ-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN CCCC[C@@H]1OC(=O)C[C@@H]1CO 307937114 572798164 /nfs/dbraw/zinc/79/81/64/572798164.db2.gz ADOZGOVRFAGRJP-SFYZADRCSA-N 0 0 172.224 1.101 10 0 ADAERN COc1nc(C)c(CN(C)O)s1 75067941 572798169 /nfs/dbraw/zinc/79/81/69/572798169.db2.gz GXTAGAWRNJBOTN-UHFFFAOYSA-N 0 0 188.252 1.281 10 0 ADAERN Cc1n[nH]c(C)c1Cc1coc(N)c1 257565220 572798177 /nfs/dbraw/zinc/79/81/77/572798177.db2.gz ZZWRWZDJIPCIDV-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN Nc1occc1Cc1cn[nH]c1 257565017 572798184 /nfs/dbraw/zinc/79/81/84/572798184.db2.gz WEUWUWWVGMIEBQ-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN Cc1cc(Cc2ccoc2N)n[nH]1 257565219 572798188 /nfs/dbraw/zinc/79/81/88/572798188.db2.gz ZZJKBUZGJZWDLK-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN O[C@@H](CC1CCCC1)[C@@H](O)C1CC1 236515951 572798202 /nfs/dbraw/zinc/79/82/02/572798202.db2.gz PPANAYWFQGEZQU-QWRGUYRKSA-N 0 0 184.279 1.699 10 0 ADAERN CC(C)Cc1c[nH]c(C=O)n1 75408070 573561275 /nfs/dbraw/zinc/56/12/75/573561275.db2.gz WRBNPEQRULRJPK-UHFFFAOYSA-N 0 0 152.197 1.421 10 0 ADAERN CNC(NC)c1cc(F)ccc1F 259509196 573561289 /nfs/dbraw/zinc/56/12/89/573561289.db2.gz SOFJVUSKIUKYDS-UHFFFAOYSA-N 0 0 186.205 1.402 10 0 ADAERN C[C@H](O)c1cccc2c1CC(=O)N2 258062265 573561295 /nfs/dbraw/zinc/56/12/95/573561295.db2.gz SRGSVKRGHWTZMR-LURJTMIESA-N 0 0 177.203 1.235 10 0 ADAERN C[C@@H]([NH+]1CC(C(=O)[O-])C1)C(C)(C)C 224300658 573561302 /nfs/dbraw/zinc/56/13/02/573561302.db2.gz YLDZQSSRIBHYMH-SSDOTTSWSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H]1C(=O)N[C@@H]1C[Si](C)(C)C 238440245 573561305 /nfs/dbraw/zinc/56/13/05/573561305.db2.gz RPXPVIGZVVXMJF-RNFRBKRXSA-N 0 0 171.316 1.459 10 0 ADAERN C/C(=C\C(C)C)[C@H](O)[C@H](C)CO 307941762 572807379 /nfs/dbraw/zinc/80/73/79/572807379.db2.gz AITHBCIHDFWJOC-URNYOCNJSA-N 0 0 172.268 1.578 10 0 ADAERN COc1cc(F)cc(CNO)c1F 258061906 573561325 /nfs/dbraw/zinc/56/13/25/573561325.db2.gz LNEKWDSZMXDROA-UHFFFAOYSA-N 0 0 189.161 1.452 10 0 ADAERN Cn1ccc([C@H](N)c2ccco2)n1 83573219 573561337 /nfs/dbraw/zinc/56/13/37/573561337.db2.gz HOOLCKRPDXNIHT-VIFPVBQESA-N 0 0 177.207 1.061 10 0 ADAERN C[C@H]1[C@H](C)[C@@H](C)C(O)[C@@H]1C 238440237 573561342 /nfs/dbraw/zinc/56/13/42/573561342.db2.gz PDFLFTUOEANSLH-RULNZFCNSA-N 0 0 142.242 1.905 10 0 ADAERN CC[NH2+]C[P@@](=O)([O-])C(C)(C)C 196685462 572807727 /nfs/dbraw/zinc/80/77/27/572807727.db2.gz RGABMVAIMMBSCN-UHFFFAOYSA-N 0 0 179.200 1.622 10 0 ADAERN COC(=O)[C@H](C)N[C@@H](C)c1ccc[nH]1 308621086 573561349 /nfs/dbraw/zinc/56/13/49/573561349.db2.gz TZPTXPACPGOEAP-YUMQZZPRSA-N 0 0 196.250 1.227 10 0 ADAERN NOCc1ccc2c(c1)CCS2 258062549 573561357 /nfs/dbraw/zinc/56/13/57/573561357.db2.gz STWZTLGLCJVTNF-UHFFFAOYSA-N 0 0 181.260 1.725 10 0 ADAERN COCCCc1ccc(CNO)cc1 259509086 573561358 /nfs/dbraw/zinc/56/13/58/573561358.db2.gz RRQNGDJERJUMAE-UHFFFAOYSA-N 0 0 195.262 1.744 10 0 ADAERN C/C=C\[C@H](O)/C=C(/C)COCC 307945669 572817125 /nfs/dbraw/zinc/81/71/25/572817125.db2.gz HYFCHNZYYWNRAS-GYHMLIEVSA-N 0 0 170.252 1.906 10 0 ADAERN CCOc1ccc(CC(=O)CO)cc1 71506690 572839738 /nfs/dbraw/zinc/83/97/38/572839738.db2.gz LMWUAXFKXMQZEA-UHFFFAOYSA-N 0 0 194.230 1.189 10 0 ADAERN Cc1cc(C)c(CCN(C)N)c(C)c1 71506223 572839767 /nfs/dbraw/zinc/83/97/67/572839767.db2.gz QVZVOXMUPKJDEY-UHFFFAOYSA-N 0 0 192.306 1.960 10 0 ADAERN CC(=O)c1nccn1-c1ccccn1 75394761 572839771 /nfs/dbraw/zinc/83/97/71/572839771.db2.gz OTPZVAOOZVJZTK-UHFFFAOYSA-N 0 0 187.202 1.470 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(N)ccc2O1 75396909 572839776 /nfs/dbraw/zinc/83/97/76/572839776.db2.gz MWKGBQCKDRGDKK-JTQLQIEISA-N 0 0 177.203 1.161 10 0 ADAERN OCC[C@@H](O)c1ccc2c(c1)CCC2 71506100 572839778 /nfs/dbraw/zinc/83/97/78/572839778.db2.gz SDQQARUNQCSLKH-GFCCVEGCSA-N 0 0 192.258 1.591 10 0 ADAERN Cc1ccc([C@@H]2CN(N)CCO2)cc1 71506180 572839787 /nfs/dbraw/zinc/83/97/87/572839787.db2.gz UMINHVGDICEXPF-NSHDSACASA-N 0 0 192.262 1.242 10 0 ADAERN CC(=O)c1cc2ncncc2n1C 75393463 572839797 /nfs/dbraw/zinc/83/97/97/572839797.db2.gz LUKKLULEXKUWEE-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN CSC(=O)c1ccc(C)[nH]1 56873991 572839819 /nfs/dbraw/zinc/83/98/19/572839819.db2.gz UYOQNBAGCXYPAQ-UHFFFAOYSA-N 0 0 155.222 1.826 10 0 ADAERN CC(=O)OC/C=C\CCC[C@@H](C)O 308149124 572839823 /nfs/dbraw/zinc/83/98/23/572839823.db2.gz FFUKGPFMCMBWET-XTULLQBASA-N 0 0 186.251 1.657 10 0 ADAERN CC(=O)c1nccn1-c1ncco1 75394764 572839825 /nfs/dbraw/zinc/83/98/25/572839825.db2.gz UREUTLYAALISDG-UHFFFAOYSA-N 0 0 177.163 1.063 10 0 ADAERN COc1cccc(/C=C/CCON)c1 71506327 572839836 /nfs/dbraw/zinc/83/98/36/572839836.db2.gz VTGMVWATNUMOLY-GORDUTHDSA-N 0 0 193.246 1.989 10 0 ADAERN CC(=O)[C@H]1Cc2ccc(N)cc2O1 75396926 572839847 /nfs/dbraw/zinc/83/98/47/572839847.db2.gz FPJGZOTYVSDFBD-SECBINFHSA-N 0 0 177.203 1.161 10 0 ADAERN O=C1C[C@H]([C@@H]2CCCS2)CN1 257831075 573561660 /nfs/dbraw/zinc/56/16/60/573561660.db2.gz JLHUFBPSDKCSFP-BQBZGAKWSA-N 0 0 171.265 1.018 10 0 ADAERN C[C@@H](O)Cn1ccc(C(=O)C2CC2)c1 85844620 572827885 /nfs/dbraw/zinc/82/78/85/572827885.db2.gz FTRBQVRNQJIRBL-MRVPVSSYSA-N 0 0 193.246 1.462 10 0 ADAERN Cc1cccc2c1NC[C@H]2CO 71486779 572827890 /nfs/dbraw/zinc/82/78/90/572827890.db2.gz FUISTBOHHJYFCG-QMMMGPOBSA-N 0 0 163.220 1.496 10 0 ADAERN CCOC(=O)N1CC(CC)=C[C@@H](O)C1 238267999 573561677 /nfs/dbraw/zinc/56/16/77/573561677.db2.gz BFXIJJVDZBNBFV-SECBINFHSA-N 0 0 199.250 1.156 10 0 ADAERN Cc1cccc2c1NC[C@@H]2CO 71486777 572827896 /nfs/dbraw/zinc/82/78/96/572827896.db2.gz FUISTBOHHJYFCG-MRVPVSSYSA-N 0 0 163.220 1.496 10 0 ADAERN Cc1nc2cccc3cc(C)n(c1=O)c32 238568984 572827897 /nfs/dbraw/zinc/82/78/97/572827897.db2.gz GFNIOEWJXYWNFS-UHFFFAOYSA-N 0 0 198.225 1.902 10 0 ADAERN CCCC(=O)c1ccn(CCCO)c1 85840952 572827899 /nfs/dbraw/zinc/82/78/99/572827899.db2.gz DPVMVJLMNZQKFJ-UHFFFAOYSA-N 0 0 195.262 1.853 10 0 ADAERN COCCn1ccc([C@H](O)C(C)C)c1 85843302 572827907 /nfs/dbraw/zinc/82/79/07/572827907.db2.gz VEWHMIQPBFADLS-LLVKDONJSA-N 0 0 197.278 1.824 10 0 ADAERN Cc1ccc2c(c1C)C(=O)C[C@H]2[NH3+] 713760793 572827923 /nfs/dbraw/zinc/82/79/23/572827923.db2.gz HXOXXJGDTLXGRS-SECBINFHSA-N 0 0 175.231 1.890 10 0 ADAERN C[C@H]1CC[C@H](C(=O)OCCF)O1 307950831 572827933 /nfs/dbraw/zinc/82/79/33/572827933.db2.gz NZCXJSMRSHMQMS-NKWVEPMBSA-N 0 0 176.187 1.067 10 0 ADAERN [NH3+][C@@]1(CO)CCc2c(F)cc(F)cc21 713761650 572827938 /nfs/dbraw/zinc/82/79/38/572827938.db2.gz IMXLCEKXGVZGIY-SNVBAGLBSA-N 0 0 199.200 1.057 10 0 ADAERN CCOCn1ccc([C@H](O)CC)c1 85839237 572827961 /nfs/dbraw/zinc/82/79/61/572827961.db2.gz MDESXZPGXMNDPU-SNVBAGLBSA-N 0 0 183.251 1.926 10 0 ADAERN COCn1ccc([C@H](O)C(C)C)c1 85843208 572827964 /nfs/dbraw/zinc/82/79/64/572827964.db2.gz VLMWJILKCCQPHW-SNVBAGLBSA-N 0 0 183.251 1.781 10 0 ADAERN CCONC[C@@H]1CCO[C@H](C)C1 308141845 572827970 /nfs/dbraw/zinc/82/79/70/572827970.db2.gz HSARVRSAPUYBAH-RKDXNWHRSA-N 0 0 173.256 1.343 10 0 ADAERN CCC[C@H](O)c1ccn(C[C@H](C)O)c1 85841557 572827972 /nfs/dbraw/zinc/82/79/72/572827972.db2.gz UOEPZPBUHIPMAI-ONGXEEELSA-N 0 0 197.278 1.702 10 0 ADAERN OCC[C@@H]1CNc2cc(F)ccc21 71486911 572827979 /nfs/dbraw/zinc/82/79/79/572827979.db2.gz CFTOIIPFINRRMS-SSDOTTSWSA-N 0 0 181.210 1.717 10 0 ADAERN CCOc1ccc2c(c1)[C@@H](CO)CN2 71486763 572827992 /nfs/dbraw/zinc/82/79/92/572827992.db2.gz YLLPVAPUAUYVMU-MRVPVSSYSA-N 0 0 193.246 1.587 10 0 ADAERN CCC[C@](N)(C(=O)OC)[C@@H](C)F 257830270 573561690 /nfs/dbraw/zinc/56/16/90/573561690.db2.gz JEVBOXLEGSPVBT-HTRCEHHLSA-N 0 0 177.219 1.015 10 0 ADAERN CC[N@@H+]1CCC[C@H]([C@@H](C)CC(=O)[O-])C1 87972930 572828739 /nfs/dbraw/zinc/82/87/39/572828739.db2.gz DWKFOOZBYLXXCV-UWVGGRQHSA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)OC[C@H](O)c1cccs1 307955136 572834865 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/nfs/dbraw/zinc/84/46/55/572844655.db2.gz HXUZXVGFNSGWEO-JTQLQIEISA-N 0 0 188.267 1.713 10 0 ADAERN Cn1c(C=O)ccc1Cc1cc[nH]c1 75425655 572844692 /nfs/dbraw/zinc/84/46/92/572844692.db2.gz QDZZPUMXTVOUFC-UHFFFAOYSA-N 0 0 188.230 1.757 10 0 ADAERN O=Cc1[nH]ccc1CC(F)(F)F 75425302 572844697 /nfs/dbraw/zinc/84/46/97/572844697.db2.gz NJEANXQMCZWEML-UHFFFAOYSA-N 0 0 177.125 1.932 10 0 ADAERN Nc1[nH]c(C=O)cc1Cc1cc[nH]c1 75426052 572844747 /nfs/dbraw/zinc/84/47/47/572844747.db2.gz IUPBLFYJBQXIGL-UHFFFAOYSA-N 0 0 189.218 1.328 10 0 ADAERN CC[C@@H](C)[C@](C)(CC(=O)[O-])[NH+](C)C 308150296 572844780 /nfs/dbraw/zinc/84/47/80/572844780.db2.gz QMTJILHPXCQEAJ-SCZZXKLOSA-N 0 0 187.283 1.828 10 0 ADAERN Cn1ccc(Cc2ncco2)c1C=O 75425487 572844787 /nfs/dbraw/zinc/84/47/87/572844787.db2.gz LOFFPNQDBXZMIB-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN COC(=O)C[C@H](O)c1cocc1C 308150774 572844797 /nfs/dbraw/zinc/84/47/97/572844797.db2.gz HOIQTEMXGWWAIM-QMMMGPOBSA-N 0 0 184.191 1.185 10 0 ADAERN Cn1cc(Cc2ccon2)cc1C=O 75425572 572844804 /nfs/dbraw/zinc/84/48/04/572844804.db2.gz ZAIISXKEQKJLHR-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CCOC(=O)[C@@H](F)c1cccc(O)c1 257831222 573562987 /nfs/dbraw/zinc/56/29/87/573562987.db2.gz JIFWVEOUJQMUHO-VIFPVBQESA-N 0 0 198.193 1.966 10 0 ADAERN Cc1conc1Cc1coc(C=O)c1 75424371 572844827 /nfs/dbraw/zinc/84/48/27/572844827.db2.gz YCRORMQKLBMQRQ-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CCC(=O)c1ccc(N)o1 75424676 572844833 /nfs/dbraw/zinc/84/48/33/572844833.db2.gz SVDLKCZXPMAEOA-UHFFFAOYSA-N 0 0 139.154 1.455 10 0 ADAERN COCC(=O)O[C@H](C)[C@H](C)SC 308153813 572844838 /nfs/dbraw/zinc/84/48/38/572844838.db2.gz NUCXDAZXYUWREM-RQJHMYQMSA-N 0 0 192.280 1.316 10 0 ADAERN CC/C=C\CC[C@H](O)C(=O)OCC 308149403 572844839 /nfs/dbraw/zinc/84/48/39/572844839.db2.gz GNHKHKQNMVSHRT-UDIARPCQSA-N 0 0 186.251 1.657 10 0 ADAERN Cc1conc1Cc1ccc(C=O)[nH]1 75425779 572844842 /nfs/dbraw/zinc/84/48/42/572844842.db2.gz WASPANZBQIXSBW-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN 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CWIVNVJBMZIKRH-UHFFFAOYSA-N 0 0 183.594 1.700 10 0 ADAERN CC[C@@H](C(C)C)[C@@H]([NH3+])C(=O)[O-] 107400244 573568290 /nfs/dbraw/zinc/56/82/90/573568290.db2.gz FAQQEDSIWAINNV-NKWVEPMBSA-N 0 0 159.229 1.081 10 0 ADAERN C[C@@H](O)c1ncc2c(O)cccn12 257831999 573568297 /nfs/dbraw/zinc/56/82/97/573568297.db2.gz JXLFRRXBDGDMJC-ZCFIWIBFSA-N 0 0 178.191 1.093 10 0 ADAERN CCCC[S@](=O)c1cnccn1 307978343 572890546 /nfs/dbraw/zinc/89/05/46/572890546.db2.gz NACSCEOUACLWGV-LBPRGKRZSA-N 0 0 184.264 1.384 10 0 ADAERN C[C@H]1C(=O)Nc2cocc2N1C 75593550 572891842 /nfs/dbraw/zinc/89/18/42/572891842.db2.gz JTXKJHOOGMYIFS-YFKPBYRVSA-N 0 0 166.180 1.056 10 0 ADAERN CCCn1ccc(/C=C/CO)c1 86209791 572892001 /nfs/dbraw/zinc/89/20/01/572892001.db2.gz FOLHYCAKNWCYLP-ONEGZZNKSA-N 0 0 165.236 1.904 10 0 ADAERN CC(=O)N1CC(C)(C)Nc2occc21 75594985 572892005 /nfs/dbraw/zinc/89/20/05/572892005.db2.gz FWZAXVBPBFYRMV-UHFFFAOYSA-N 0 0 194.234 1.837 10 0 ADAERN CCSCC(=O)c1cn(CC)cn1 308171427 572892010 /nfs/dbraw/zinc/89/20/10/572892010.db2.gz CNUKGQUPYUEGAU-UHFFFAOYSA-N 0 0 198.291 1.839 10 0 ADAERN C[C@H]1CN(C)c2sccc2N1 75593049 572892029 /nfs/dbraw/zinc/89/20/29/572892029.db2.gz IETZVKHGQRJGMQ-LURJTMIESA-N 0 0 168.265 1.998 10 0 ADAERN C[C@@H]1CNc2cscc2N1 75591851 572892040 /nfs/dbraw/zinc/89/20/40/572892040.db2.gz BEILXCTWHKEYCW-RXMQYKEDSA-N 0 0 154.238 1.974 10 0 ADAERN CCC(CC)OC(=O)CC[C@@H](C)O 308171569 572892067 /nfs/dbraw/zinc/89/20/67/572892067.db2.gz BNSOCUWROFVXGW-MRVPVSSYSA-N 0 0 188.267 1.879 10 0 ADAERN c1cc2c(o1)NCCN2 75594088 572892071 /nfs/dbraw/zinc/89/20/71/572892071.db2.gz RDUXRJGGQDEZKL-UHFFFAOYSA-N 0 0 124.143 1.117 10 0 ADAERN CC(=O)N1C[C@H](C)N(C)c2ccoc21 75595464 572892075 /nfs/dbraw/zinc/89/20/75/572892075.db2.gz HQKLVJZQHOJHOE-ZETCQYMHSA-N 0 0 194.234 1.471 10 0 ADAERN CC(=O)N1CCN(C)c2sccc21 75591535 572892078 /nfs/dbraw/zinc/89/20/78/572892078.db2.gz NCLMFVIOOXIFHX-UHFFFAOYSA-N 0 0 196.275 1.551 10 0 ADAERN CC(=O)N1c2cocc2N(C)C[C@@H]1C 75593688 572892094 /nfs/dbraw/zinc/89/20/94/572892094.db2.gz LRZCMZJYQQDGNC-ZETCQYMHSA-N 0 0 194.234 1.471 10 0 ADAERN C[C@H]1C(=O)Nc2ccoc2N1C 75593505 572892105 /nfs/dbraw/zinc/89/21/05/572892105.db2.gz OPWGZCCQMWSXIE-YFKPBYRVSA-N 0 0 166.180 1.056 10 0 ADAERN C/C(=C/[Si](C)(C)C)C[NH2+]CCO 238041807 572915447 /nfs/dbraw/zinc/91/54/47/572915447.db2.gz MEHQZWXSZVFWFF-HJWRWDBZSA-N 0 0 187.359 1.392 10 0 ADAERN O=C(CCCCO)OCCC1CC1 308188683 572915458 /nfs/dbraw/zinc/91/54/58/572915458.db2.gz LPABBZADBZBNPO-UHFFFAOYSA-N 0 0 186.251 1.492 10 0 ADAERN C[C@@H]1[C@H](O)Oc2ccccc2[C@@H]1O 238444110 573569533 /nfs/dbraw/zinc/56/95/33/573569533.db2.gz DCRZEOOAYROPMJ-WQGWLQIFSA-N 0 0 180.203 1.067 10 0 ADAERN C[C@@H]1[C@@H](O)CCC1(C)C 238444066 573569540 /nfs/dbraw/zinc/56/95/40/573569540.db2.gz GVUFACOEKHAXPF-RQJHMYQMSA-N 0 0 128.215 1.803 10 0 ADAERN NCC(=O)c1ccc2occc2c1F 75428198 573569548 /nfs/dbraw/zinc/56/95/48/573569548.db2.gz JOZFBBRONCIBFF-UHFFFAOYSA-N 0 0 193.177 1.713 10 0 ADAERN COC(=O)N(C)CCc1cc[nH]c1 258782100 573569554 /nfs/dbraw/zinc/56/95/54/573569554.db2.gz NGKZCJKXIJRVSE-UHFFFAOYSA-N 0 0 182.223 1.255 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)[C@@H]2C)cc1 238444403 573569578 /nfs/dbraw/zinc/56/95/78/573569578.db2.gz BUVDLPUGXZQWTF-MWLCHTKSSA-N 0 0 189.258 1.845 10 0 ADAERN CC(=O)[C@@H]1SCC=C[C@@H]1C 238444408 573569586 /nfs/dbraw/zinc/56/95/86/573569586.db2.gz KXXLGBRZYWSULN-POYBYMJQSA-N 0 0 156.250 1.883 10 0 ADAERN Nc1cccc([C@@H](O)c2ccco2)c1 236355480 573569598 /nfs/dbraw/zinc/56/95/98/573569598.db2.gz XWRBEQVHRWISQR-LLVKDONJSA-N 0 0 189.214 1.944 10 0 ADAERN CCCOC[C@@H](O)C=C(C)C 233229822 573569638 /nfs/dbraw/zinc/56/96/38/573569638.db2.gz CCBPBFNFFJSHMZ-VIFPVBQESA-N 0 0 158.241 1.740 10 0 ADAERN O=Cc1c(C2CCC2)nnn1C1CC1 257831992 573569649 /nfs/dbraw/zinc/56/96/49/573569649.db2.gz JQODKGNMFGYARQ-UHFFFAOYSA-N 0 0 191.234 1.693 10 0 ADAERN Cc1cccc2c1[C@H](O)C2 257832041 573569655 /nfs/dbraw/zinc/56/96/55/573569655.db2.gz KHTZRZRWXGWCQD-MRVPVSSYSA-N 0 0 134.178 1.585 10 0 ADAERN Cc1ccc2c(c1)O[C@@](C)(CO)O2 258408946 573569664 /nfs/dbraw/zinc/56/96/64/573569664.db2.gz ZLCXJPGMNCZTSR-JTQLQIEISA-N 0 0 180.203 1.475 10 0 ADAERN C[C@H]1CC[C@H](O)C(C)(C)C1=O 238444040 573569670 /nfs/dbraw/zinc/56/96/70/573569670.db2.gz PFDAYIOJZWIIKM-BQBZGAKWSA-N 0 0 156.225 1.373 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683293 573569679 /nfs/dbraw/zinc/56/96/79/573569679.db2.gz WCPAIXBZPVDXOK-MRVPVSSYSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H](CCO)C1=CCC(=O)CC1 238433328 573569716 /nfs/dbraw/zinc/56/97/16/573569716.db2.gz QPOFKTMOUPSTSO-MRVPVSSYSA-N 0 0 168.236 1.684 10 0 ADAERN C[C@]1(CCCCO)OCCC[C@H]1O 308174292 572898366 /nfs/dbraw/zinc/89/83/66/572898366.db2.gz YZQSCIZKNDHUQB-NXEZZACHSA-N 0 0 188.267 1.079 10 0 ADAERN O=Cc1cnnn1-c1ccccc1F 75422597 573569744 /nfs/dbraw/zinc/56/97/44/573569744.db2.gz LHJASDOIPIPEKN-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN C/C=C/C[NH2+][C@@](CC)(C(N)=O)C(C)C 308626039 573569752 /nfs/dbraw/zinc/56/97/52/573569752.db2.gz WIIUPDBFHUHDAF-OKPNEXGHSA-N 0 0 198.310 1.442 10 0 ADAERN CC/C=C/CCOC(=O)[C@H](O)CC 308178403 572903633 /nfs/dbraw/zinc/90/36/33/572903633.db2.gz GEEOLFJGKJELHS-VUHVRTRXSA-N 0 0 186.251 1.657 10 0 ADAERN Cc1cc(C)c2nnc(C)n2n1 75838685 572903634 /nfs/dbraw/zinc/90/36/34/572903634.db2.gz PUYPRULDCMURJJ-UHFFFAOYSA-N 0 0 162.196 1.050 10 0 ADAERN C[C@@H]1Cc2cc(F)c(N)c(F)c2N1 713773788 572903651 /nfs/dbraw/zinc/90/36/51/572903651.db2.gz JYTYQPMQPCHXPJ-SCSAIBSYSA-N 0 0 184.189 1.904 10 0 ADAERN Cc1cc2c(cc1F)NC(=O)[C@H](C)N2 235397438 572903683 /nfs/dbraw/zinc/90/36/83/572903683.db2.gz JLFYVJRCLLVEDF-LURJTMIESA-N 0 0 194.209 1.887 10 0 ADAERN CCCCC[C@]1(O)C[C@H](O)CCO1 308178234 572903767 /nfs/dbraw/zinc/90/37/67/572903767.db2.gz BJOPBLUHMLXLFU-NXEZZACHSA-N 0 0 188.267 1.427 10 0 ADAERN CC(C)(C)CCNN1CCOCC1 214271581 572903783 /nfs/dbraw/zinc/90/37/83/572903783.db2.gz QZOJVWMNSPXQFL-UHFFFAOYSA-N 0 0 186.299 1.259 10 0 ADAERN CC(C)C(=O)CN(C)CC(F)(F)F 86276366 572903814 /nfs/dbraw/zinc/90/38/14/572903814.db2.gz AZZXZQBJJYXRAZ-UHFFFAOYSA-N 0 0 197.200 1.706 10 0 ADAERN CC(C)C(=O)c1ncc2cnccn12 75854623 572903823 /nfs/dbraw/zinc/90/38/23/572903823.db2.gz YMPUGQSSXXNGKS-UHFFFAOYSA-N 0 0 189.218 1.568 10 0 ADAERN O=C(/C=C\C1=CCCC1)N1CCC1 308179487 572903837 /nfs/dbraw/zinc/90/38/37/572903837.db2.gz FOAOTBVLXCVWPC-SREVYHEPSA-N 0 0 177.247 1.885 10 0 ADAERN c1ccc(-c2ccc3nncn3n2)nc1 75838508 572903854 /nfs/dbraw/zinc/90/38/54/572903854.db2.gz CTEJIYBVLMZGKY-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN CC(C)[C@H](O)c1ccnn1C1CC1 75853860 572903896 /nfs/dbraw/zinc/90/38/96/572903896.db2.gz KSSIEQHKOHZDQY-JTQLQIEISA-N 0 0 180.251 1.907 10 0 ADAERN CCCCCO[C@@H]1CC[C@H](O)CO1 308185950 572913517 /nfs/dbraw/zinc/91/35/17/572913517.db2.gz FPBPUXQNKNVECA-UWVGGRQHSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@H]1CC[C@H](O)[C@@H](C)CC[C@@H]1O 238444436 573569792 /nfs/dbraw/zinc/56/97/92/573569792.db2.gz PZIHHFKQTJPQQC-XKNYDFJKSA-N 0 0 172.268 1.554 10 0 ADAERN COc1cnn([C@H](C)CC(C)=O)c1 308186082 572913555 /nfs/dbraw/zinc/91/35/55/572913555.db2.gz JUPMQNSEIPVORN-SSDOTTSWSA-N 0 0 182.223 1.432 10 0 ADAERN COc1c(C=O)ccc2c1CCO2 75428032 573569800 /nfs/dbraw/zinc/56/98/00/573569800.db2.gz ILAZFCVLGXEIGB-UHFFFAOYSA-N 0 0 178.187 1.443 10 0 ADAERN C[C@@H]1CC[N@@H+]1C[C@@H]1CCC[C@@H]1C(=O)[O-] 86686385 573572907 /nfs/dbraw/zinc/57/29/07/573572907.db2.gz AUKFKSXWUCPGSZ-UTLUCORTSA-N 0 0 197.278 1.582 10 0 ADAERN C/C(=C/c1ccc(C(N)=O)cc1)CO 211919871 573572909 /nfs/dbraw/zinc/57/29/09/573572909.db2.gz AJPPRQMNGMCSAA-VURMDHGXSA-N 0 0 191.230 1.181 10 0 ADAERN C[NH+](C)C[C@H]1CCCC[C@H]1C(=O)[O-] 86686314 573572920 /nfs/dbraw/zinc/57/29/20/573572920.db2.gz RCZKNKBZCXAXAP-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN CC(=O)Nc1ccc(C)c(NO)c1 95859822 573572924 /nfs/dbraw/zinc/57/29/24/573572924.db2.gz HJLRPSJGXCSTOA-UHFFFAOYSA-N 0 0 180.207 1.755 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@H](C)[C@@H]2O 238444180 573572934 /nfs/dbraw/zinc/57/29/34/573572934.db2.gz BYQYZTCNQVADSP-XCBNKYQSSA-N 0 0 176.215 1.861 10 0 ADAERN C=C/C=C/[C@@H](C)[C@@H](C)O 238445775 573572943 /nfs/dbraw/zinc/57/29/43/573572943.db2.gz WVJQMLTTXRTMOI-ZZTMBZGHSA-N 0 0 126.199 1.746 10 0 ADAERN CC(C)(C)[C@@]([NH3+])(C(=O)[O-])C(C)(C)F 257832455 573572946 /nfs/dbraw/zinc/57/29/46/573572946.db2.gz JUEOHDYVEBPOKF-VIFPVBQESA-N 0 0 191.246 1.563 10 0 ADAERN CCC[C@H]([NH2+]C)[C@H]1C[C@@H]1C(=O)[O-] 259113595 573572982 /nfs/dbraw/zinc/57/29/82/573572982.db2.gz AXTCIGKZKYSHFL-FXQIFTODSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@H]1C=CCC[C@H]1CC(N)=O 238444022 573573006 /nfs/dbraw/zinc/57/30/06/573573006.db2.gz CTPAOPPYSMSGLE-YUMQZZPRSA-N 0 0 153.225 1.464 10 0 ADAERN O=C([O-])[C@H]1C=C[C@H]([NH+]2CCCCC2)C1 86687139 573573007 /nfs/dbraw/zinc/57/30/07/573573007.db2.gz XLPKSKJYVXDIJP-UWVGGRQHSA-N 0 0 195.262 1.502 10 0 ADAERN Cc1cc2cc[nH]c2cc1C(=O)CN 75432455 573573012 /nfs/dbraw/zinc/57/30/12/573573012.db2.gz JUCDBJSXIOHGCP-UHFFFAOYSA-N 0 0 188.230 1.618 10 0 ADAERN CC1C[NH+]([C@@H]2CCC[C@H]2C(=O)[O-])C1 86685644 573573021 /nfs/dbraw/zinc/57/30/21/573573021.db2.gz MRPDFBCNPXNYBF-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN CC1C[NH+](C[C@H]2CCC[C@@H]2C(=O)[O-])C1 86686358 573573042 /nfs/dbraw/zinc/57/30/42/573573042.db2.gz AIVCOYOAQLHBNN-ZJUUUORDSA-N 0 0 197.278 1.439 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C1 86686559 573573051 /nfs/dbraw/zinc/57/30/51/573573051.db2.gz TUVWCMBAIVLJTN-DTWKUNHWSA-N 0 0 195.262 1.336 10 0 ADAERN CC[C@@H](C)C[C@H](NC#N)C(=O)OC 238272243 573573058 /nfs/dbraw/zinc/57/30/58/573573058.db2.gz DMLVYOWULSIQLJ-SFYZADRCSA-N 0 0 184.239 1.035 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86683341 573573060 /nfs/dbraw/zinc/57/30/60/573573060.db2.gz IEBZWGKYRIAKTN-YUMQZZPRSA-N 0 0 171.240 1.190 10 0 ADAERN OCCCc1nc(-c2ccc[nH]2)c[nH]1 259113334 573573084 /nfs/dbraw/zinc/57/30/84/573573084.db2.gz PHCKFEIRXSCFOQ-UHFFFAOYSA-N 0 0 191.234 1.330 10 0 ADAERN C[C@@H]1CCO[C@@H]2CC(=O)[C@H](C)[C@H]12 238433361 573573092 /nfs/dbraw/zinc/57/30/92/573573092.db2.gz UPNOZSSOYIGZTN-KDDQHCCQSA-N 0 0 168.236 1.637 10 0 ADAERN CC[C@H](C(=O)[O-])[NH+]1CC(CC)(CC)C1 86683741 573573096 /nfs/dbraw/zinc/57/30/96/573573096.db2.gz VFYKOQWHJSDOGX-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H](CC(=O)[O-])[NH+]1CC(C)(C)C1 86683608 573573103 /nfs/dbraw/zinc/57/31/03/573573103.db2.gz SFAAUUISBUOALQ-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN FC1(F)CCCn2ccnc21 257832552 573573108 /nfs/dbraw/zinc/57/31/08/573573108.db2.gz AADYTUUKNCZJQO-UHFFFAOYSA-N 0 0 158.151 1.769 10 0 ADAERN CC1C[NH+](C(C)(C)C(C)(C)C(=O)[O-])C1 86686063 573573119 /nfs/dbraw/zinc/57/31/19/573573119.db2.gz XVBGGQYYYJRXIJ-UHFFFAOYSA-N 0 0 199.294 1.828 10 0 ADAERN CCC[C@@](C)(C(=O)[O-])[NH+]1CC(C)C1 86684025 573573126 /nfs/dbraw/zinc/57/31/26/573573126.db2.gz IXFURYULWZHDQA-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN CCCCC[N@H+](C)C[C@H]1C[C@H]1C(=O)[O-] 258782790 573573154 /nfs/dbraw/zinc/57/31/54/573573154.db2.gz BQOBLBSOLMGRKE-NXEZZACHSA-N 0 0 199.294 1.829 10 0 ADAERN CC1(C)C[NH+]([C@H]2CCC[C@H]2C(=O)[O-])C1 86685623 573573171 /nfs/dbraw/zinc/57/31/71/573573171.db2.gz JFBMLZDZIGERAF-BDAKNGLRSA-N 0 0 197.278 1.582 10 0 ADAERN COC(=O)[C@H](ON)c1cccc(C)c1 257832483 573573172 /nfs/dbraw/zinc/57/31/72/573573172.db2.gz JVEIQFDEDGQHLQ-SECBINFHSA-N 0 0 195.218 1.099 10 0 ADAERN CC1C[NH+](C[C@@H]2CCC[C@H]2C(=O)[O-])C1 86686360 573573194 /nfs/dbraw/zinc/57/31/94/573573194.db2.gz AIVCOYOAQLHBNN-VHSXEESVSA-N 0 0 197.278 1.439 10 0 ADAERN CN[C@H](C)c1nnc(C(F)F)o1 50618534 572917096 /nfs/dbraw/zinc/91/70/96/572917096.db2.gz SYTHDPCKLXHJIO-GSVOUGTGSA-N 0 0 177.154 1.288 10 0 ADAERN c1cnc2cocc2c1 72230840 572917132 /nfs/dbraw/zinc/91/71/32/572917132.db2.gz WRKRFBHYUSOBBT-UHFFFAOYSA-N 0 0 119.123 1.828 10 0 ADAERN C[C@H]1C=CCC[C@]1(C)C(N)=O 238444252 573573201 /nfs/dbraw/zinc/57/32/01/573573201.db2.gz SJNMIJLSIFCRCC-CBAPKCEASA-N 0 0 153.225 1.464 10 0 ADAERN C[C@@H](O)[C@@H]1CCC(C)(C)O1 238433321 573573204 /nfs/dbraw/zinc/57/32/04/573573204.db2.gz QRILVKLIFZKBMT-RQJHMYQMSA-N 0 0 144.214 1.325 10 0 ADAERN Cc1c[nH]c(C2CCC(=O)CC2)n1 259113214 573573205 /nfs/dbraw/zinc/57/32/05/573573205.db2.gz PEKWJESXKQOPBH-UHFFFAOYSA-N 0 0 178.235 1.945 10 0 ADAERN CC1C[NH+](C(C)(C)CC(=O)[O-])C1 86685580 573573207 /nfs/dbraw/zinc/57/32/07/573573207.db2.gz GCOPILAZLQGZKJ-UHFFFAOYSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)C[C@@H](C)[C@@H](O)c1nc[nH]n1 308188295 572917165 /nfs/dbraw/zinc/91/71/65/572917165.db2.gz LLYGEOPBYKFSGC-HTQZYQBOSA-N 0 0 183.255 1.520 10 0 ADAERN Cc1nccc2c1COC2 72231339 572917173 /nfs/dbraw/zinc/91/71/73/572917173.db2.gz XBBDELRALZNXKM-UHFFFAOYSA-N 0 0 135.166 1.420 10 0 ADAERN COc1cccc(COC=O)c1 78921833 573573212 /nfs/dbraw/zinc/57/32/12/573573212.db2.gz YTKRWVKJCDMQSW-UHFFFAOYSA-N 0 0 166.176 1.368 10 0 ADAERN C/C=C(/COCCO)[Si](C)(C)C 237986109 572917197 /nfs/dbraw/zinc/91/71/97/572917197.db2.gz NOAZKRFAJNGUHB-UITAMQMPSA-N 0 0 188.343 1.819 10 0 ADAERN CC1=NO[C@H]2CCCC(=O)[C@H]12 196961959 572917221 /nfs/dbraw/zinc/91/72/21/572917221.db2.gz NBODKTMNCUABNT-YUMQZZPRSA-N 0 0 153.181 1.130 10 0 ADAERN CC(=O)C[C@@]1(C)C=C(C)OC1=O 196964352 572917286 /nfs/dbraw/zinc/91/72/86/572917286.db2.gz HCQMTLXIJUSEDI-VIFPVBQESA-N 0 0 168.192 1.432 10 0 ADAERN C/C=C/C(=O)Oc1ccc(CO)cc1 237994738 572917325 /nfs/dbraw/zinc/91/73/25/572917325.db2.gz HAXKAGADIKENBP-NSCUHMNNSA-N 0 0 192.214 1.660 10 0 ADAERN CC1=C[C@@H](O)CC[C@@H]1C 238444202 573573218 /nfs/dbraw/zinc/57/32/18/573573218.db2.gz JYJKIDRENZOVGU-XPUUQOCRSA-N 0 0 126.199 1.724 10 0 ADAERN O=C([O-])[C@@H](C1CC1)[NH+]1CC2(CCC2)C1 86684747 573573226 /nfs/dbraw/zinc/57/32/26/573573226.db2.gz CKYYSWDFPYXRRN-SECBINFHSA-N 0 0 195.262 1.336 10 0 ADAERN C/C=C/[C@H](O)C(=O)OC(C)(C)C 238054372 572918951 /nfs/dbraw/zinc/91/89/51/572918951.db2.gz PBBBBGJLONXQJH-XPPMVYLVSA-N 0 0 172.224 1.265 10 0 ADAERN CCOC(=O)/C=C/CC/C=C\[C@@H](C)O 308635114 573573251 /nfs/dbraw/zinc/57/32/51/573573251.db2.gz YBHVUGSFLGPWBK-MEKDIOBGSA-N 0 0 198.262 1.823 10 0 ADAERN 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/nfs/dbraw/zinc/94/13/95/572941395.db2.gz UIARBXCOKNIPFP-VIFPVBQESA-N 0 0 188.267 1.547 10 0 ADAERN CCOC(OCC)[C@@H](O)C(C)C 86452821 572941398 /nfs/dbraw/zinc/94/13/98/572941398.db2.gz MTOOILJSUZFEEF-QMMMGPOBSA-N 0 0 176.256 1.402 10 0 ADAERN CCCC[C@H](O)C(OCC)OCC 86452867 572941413 /nfs/dbraw/zinc/94/14/13/572941413.db2.gz RWSFEQHXMAADAA-VIFPVBQESA-N 0 0 190.283 1.937 10 0 ADAERN CC(=O)OCC[C@]1(C)CC[C@@H]1CO 308209923 572941428 /nfs/dbraw/zinc/94/14/28/572941428.db2.gz KPNRKYWSKBEOGQ-ZJUUUORDSA-N 0 0 186.251 1.348 10 0 ADAERN CC(C)=CC(C=C(C)C)(CO)CO 238138603 572941430 /nfs/dbraw/zinc/94/14/30/572941430.db2.gz QXJLTLMNUYUREF-UHFFFAOYSA-N 0 0 184.279 1.890 10 0 ADAERN CCN(Cc1nccs1)C(=O)NC 308210718 572941431 /nfs/dbraw/zinc/94/14/31/572941431.db2.gz GGFYAVLYXQVWNQ-UHFFFAOYSA-N 0 0 199.279 1.304 10 0 ADAERN CC[C@H](OC)C(=O)N[C@H]1C[C@H]1CC 308209890 572941441 /nfs/dbraw/zinc/94/14/41/572941441.db2.gz FVOFGSQPSXZVIS-VGMNWLOBSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)[S@](N)(=O)=NOC(C)(C)C 404507542 572941469 /nfs/dbraw/zinc/94/14/69/572941469.db2.gz BRYIZFSRAUOELY-GFCCVEGCSA-N 0 0 194.300 1.467 10 0 ADAERN CC(C)n1cnc2c1C[C@@H](CO)CC2 76088159 572941480 /nfs/dbraw/zinc/94/14/80/572941480.db2.gz QVLPZBVHAGCYIV-VIFPVBQESA-N 0 0 194.278 1.561 10 0 ADAERN CC(C)CC[C@@H](NN)c1ccc[nH]1 308210570 572941483 /nfs/dbraw/zinc/94/14/83/572941483.db2.gz KVWMPJHCTDGJGO-SNVBAGLBSA-N 0 0 181.283 1.955 10 0 ADAERN CC(C)CCC[C@@H](C)n1nnnc1N 86456893 572941490 /nfs/dbraw/zinc/94/14/90/572941490.db2.gz GFVSUINQGRPQSG-MRVPVSSYSA-N 0 0 197.286 1.643 10 0 ADAERN COc1ccc(N)c2c1C[C@@H](C)N2 713784432 572941497 /nfs/dbraw/zinc/94/14/97/572941497.db2.gz PJFZIDFILRNBEJ-ZCFIWIBFSA-N 0 0 178.235 1.634 10 0 ADAERN COCCCC(=O)OC(C)(C)C 86453372 572941509 /nfs/dbraw/zinc/94/15/09/572941509.db2.gz JOELQIIKVRWKEN-UHFFFAOYSA-N 0 0 174.240 1.755 10 0 ADAERN Cc1cc2c(cc1N)[C@@H]([NH3+])CC2=O 713784129 572941518 /nfs/dbraw/zinc/94/15/18/572941518.db2.gz NLIGXGCRZGQMQC-VIFPVBQESA-N 0 0 176.219 1.163 10 0 ADAERN CCOC(OCC)[C@H](O)C1CC1 86452898 572941519 /nfs/dbraw/zinc/94/15/19/572941519.db2.gz HZEZCDVTTAUYHN-MRVPVSSYSA-N 0 0 174.240 1.156 10 0 ADAERN Cc1cc2[nH]c(=O)[nH]c2cc1[C@H](C)O 58117185 572941522 /nfs/dbraw/zinc/94/15/22/572941522.db2.gz NLISXSQHVYDAEA-LURJTMIESA-N 0 0 192.218 1.218 10 0 ADAERN COC[C@H](O)CC[C@H]1CC[C@H](C)O1 299996446 572941524 /nfs/dbraw/zinc/94/15/24/572941524.db2.gz RMTJQVQYTURRRD-IVZWLZJFSA-N 0 0 188.267 1.341 10 0 ADAERN CCC[C@@H](O)C(OCC)OCC 86452799 572941537 /nfs/dbraw/zinc/94/15/37/572941537.db2.gz VUHBOUXRPJKQAD-MRVPVSSYSA-N 0 0 176.256 1.547 10 0 ADAERN CCCCN1CCO[C@@H](C(F)F)C1 308209906 572941539 /nfs/dbraw/zinc/94/15/39/572941539.db2.gz FWEYQJYBNFORSF-MRVPVSSYSA-N 0 0 193.237 1.752 10 0 ADAERN COc1c(N)ccc2c1C[C@@H](C)N2 713784035 572941548 /nfs/dbraw/zinc/94/15/48/572941548.db2.gz MRRBHMWFTGOXIU-ZCFIWIBFSA-N 0 0 178.235 1.634 10 0 ADAERN CCCOCCc1cccnc1N 86528173 572947827 /nfs/dbraw/zinc/94/78/27/572947827.db2.gz JYAMPALHMIQBJU-UHFFFAOYSA-N 0 0 180.251 1.633 10 0 ADAERN CC[C@@H](O)[C@H](C(C)C)C(OC)OC 308208299 572947828 /nfs/dbraw/zinc/94/78/28/572947828.db2.gz JNPXIJWNWINZKG-BDAKNGLRSA-N 0 0 190.283 1.648 10 0 ADAERN CCOCCc1ccnc(N)c1 86528141 572947944 /nfs/dbraw/zinc/94/79/44/572947944.db2.gz QGICJECHPAFKLJ-UHFFFAOYSA-N 0 0 166.224 1.243 10 0 ADAERN CCCOCCc1ccnc(N)c1 86528147 572948738 /nfs/dbraw/zinc/94/87/38/572948738.db2.gz QCOMJMOUVXQBEF-UHFFFAOYSA-N 0 0 180.251 1.633 10 0 ADAERN C[C@]1(C(=O)c2ccccc2)NCCO1 238445005 573576827 /nfs/dbraw/zinc/57/68/27/573576827.db2.gz CDZVTMXEGBCTKP-NSHDSACASA-N 0 0 191.230 1.205 10 0 ADAERN Cc1cc(-c2nc(N)no2)sc1C 83631946 573576836 /nfs/dbraw/zinc/57/68/36/573576836.db2.gz YNACKEYCXRBMSF-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CCc1sc2ncncc2c1N 75465047 573576841 /nfs/dbraw/zinc/57/68/41/573576841.db2.gz UYHSTDUCLWFHKJ-UHFFFAOYSA-N 0 0 179.248 1.836 10 0 ADAERN Cc1nc(C2CC2)ncc1N 75461362 573576848 /nfs/dbraw/zinc/57/68/48/573576848.db2.gz QNOLGZWIVQKOLX-UHFFFAOYSA-N 0 0 149.197 1.245 10 0 ADAERN Cc1cc(C(=O)NC(N)=O)sc1C 83632084 573576863 /nfs/dbraw/zinc/57/68/63/573576863.db2.gz ADOBAZOZCSVVID-UHFFFAOYSA-N 0 0 198.247 1.173 10 0 ADAERN C[C@@H]1CC[C@@H]2CC(=O)C[C@@H]2C1=O 238444601 573576867 /nfs/dbraw/zinc/57/68/67/573576867.db2.gz LOKCXKTXKSSVEZ-BHNWBGBOSA-N 0 0 166.220 1.581 10 0 ADAERN CCSCC(=O)COC(C)C 86521755 572952621 /nfs/dbraw/zinc/95/26/21/572952621.db2.gz GKXRHRVCGAOEMO-UHFFFAOYSA-N 0 0 176.281 1.734 10 0 ADAERN Cc1nc2cc([N+](=O)[O-])cnc2s1 144310355 573576888 /nfs/dbraw/zinc/57/68/88/573576888.db2.gz RIWUNNUSWKGWQR-UHFFFAOYSA-N 0 0 195.203 1.908 10 0 ADAERN CCOC[C@]1(O)CCO[C@H](CC)C1 86520052 572952636 /nfs/dbraw/zinc/95/26/36/572952636.db2.gz SHUCEMIIKVKKFB-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CCOC[C@@H](O)[C@@H]1CC=CCC1 86519843 572952774 /nfs/dbraw/zinc/95/27/74/572952774.db2.gz ZVBABZCPMMJXBO-NXEZZACHSA-N 0 0 170.252 1.740 10 0 ADAERN CCOc1cccc([C@@H](O)COC)c1 86519012 572952792 /nfs/dbraw/zinc/95/27/92/572952792.db2.gz PNYRTRFBOFGCRO-NSHDSACASA-N 0 0 196.246 1.765 10 0 ADAERN CCC[C@H](C)[C@H](O)COCC 86519925 572952800 /nfs/dbraw/zinc/95/28/00/572952800.db2.gz SRGJZSHQNZWQNL-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CCOC[C@H](O)[C@H]1CC=CCC1 86519837 572952806 /nfs/dbraw/zinc/95/28/06/572952806.db2.gz ZVBABZCPMMJXBO-UWVGGRQHSA-N 0 0 170.252 1.740 10 0 ADAERN CCCOC[C@]1(O)CCC[C@@H]1C 86520669 572952808 /nfs/dbraw/zinc/95/28/08/572952808.db2.gz UHXXDVLOMAZWHB-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCOC[C@H](O)c1cncn1C1CC1 86521275 572952810 /nfs/dbraw/zinc/95/28/10/572952810.db2.gz CSPDBJKXGCCDET-JTQLQIEISA-N 0 0 196.250 1.288 10 0 ADAERN CC(C)COC(=O)C(=O)c1ccc[nH]1 238144058 572952815 /nfs/dbraw/zinc/95/28/15/572952815.db2.gz VNUMVDUOZQTGPY-UHFFFAOYSA-N 0 0 195.218 1.397 10 0 ADAERN CC(C)OC[C@H](O)C1CCCC1 86519750 572952816 /nfs/dbraw/zinc/95/28/16/572952816.db2.gz WJJWXGRSNRRVRL-JTQLQIEISA-N 0 0 172.268 1.963 10 0 ADAERN CCCOCC(=O)c1ncccn1 86521397 572952817 /nfs/dbraw/zinc/95/28/17/572952817.db2.gz HXGCKDJEPIDGNA-UHFFFAOYSA-N 0 0 180.207 1.086 10 0 ADAERN CCCC[C@@H](O)COC(C)C 86519868 572952820 /nfs/dbraw/zinc/95/28/20/572952820.db2.gz XPRLQJLWKZUODD-SECBINFHSA-N 0 0 160.257 1.963 10 0 ADAERN CC(C)OCC(=O)Cc1cccnc1 86521495 572952824 /nfs/dbraw/zinc/95/28/24/572952824.db2.gz YXEFYUDAOPWZOH-UHFFFAOYSA-N 0 0 193.246 1.618 10 0 ADAERN CCOCC(=O)c1ccccc1N 86521712 572952826 /nfs/dbraw/zinc/95/28/26/572952826.db2.gz CTIUDNIWTUIBCC-UHFFFAOYSA-N 0 0 179.219 1.488 10 0 ADAERN CC(C)OC[C@@H](O)c1cccnc1 86519265 572952832 /nfs/dbraw/zinc/95/28/32/572952832.db2.gz CQEZWLAPLJXXRR-SNVBAGLBSA-N 0 0 181.235 1.540 10 0 ADAERN CC[C@](O)(COC)COC(C)C 86520285 572952833 /nfs/dbraw/zinc/95/28/33/572952833.db2.gz XGGXYGHOSUCFRP-VIFPVBQESA-N 0 0 176.256 1.199 10 0 ADAERN CCCOC[C@@]1(O)CCO[C@@H](C)C1 86520023 572952838 /nfs/dbraw/zinc/95/28/38/572952838.db2.gz SCKDPQQRJALZTH-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CCCOCC(=O)c1cccc(C)n1 86521616 572952840 /nfs/dbraw/zinc/95/28/40/572952840.db2.gz RPCAZTQZLVXXGE-UHFFFAOYSA-N 0 0 193.246 1.999 10 0 ADAERN CCOCC(=O)CCCOC 86521749 572952846 /nfs/dbraw/zinc/95/28/46/572952846.db2.gz GFQGPBHLDLLKRX-UHFFFAOYSA-N 0 0 160.213 1.019 10 0 ADAERN CCCOCC(=O)CSCC 86521758 572952850 /nfs/dbraw/zinc/95/28/50/572952850.db2.gz DCBNVWWZBMGMTI-UHFFFAOYSA-N 0 0 176.281 1.735 10 0 ADAERN CC(C)OC[C@H](O)c1ccncc1 86519168 572952852 /nfs/dbraw/zinc/95/28/52/572952852.db2.gz PLIQAJDMKKGUQL-JTQLQIEISA-N 0 0 181.235 1.540 10 0 ADAERN CCCC[C@H](O)COC(C)C 86519866 572952855 /nfs/dbraw/zinc/95/28/55/572952855.db2.gz XPRLQJLWKZUODD-VIFPVBQESA-N 0 0 160.257 1.963 10 0 ADAERN O[C@@H]1CC[C@H](c2ccncc2)C1 58517966 572952880 /nfs/dbraw/zinc/95/28/80/572952880.db2.gz RVUDRUQVIRHBNX-VHSXEESVSA-N 0 0 163.220 1.710 10 0 ADAERN Cc1ccc2c(c1)[C@@H](C)[C@@H](CO)C2=O 238444760 573576896 /nfs/dbraw/zinc/57/68/96/573576896.db2.gz SCVCHBLSRBHOAJ-LDYMZIIASA-N 0 0 190.242 1.903 10 0 ADAERN CCCOC[C@H](O)[C@H]1C[C@@H]1C 86523468 572953624 /nfs/dbraw/zinc/95/36/24/572953624.db2.gz ZNIPZSYLAJOKLH-CIUDSAMLSA-N 0 0 158.241 1.430 10 0 ADAERN CCCOC[C@H](O)Cc1cccnc1 86522668 572953627 /nfs/dbraw/zinc/95/36/27/572953627.db2.gz AZPKFFYRQSPLLV-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN COC[C@H](O)Cc1ccc(OC)cc1 86522543 572953771 /nfs/dbraw/zinc/95/37/71/572953771.db2.gz HWOOSWOICUTOSN-SNVBAGLBSA-N 0 0 196.246 1.245 10 0 ADAERN NOc1cccc(OC(F)(F)F)c1 144424801 573576907 /nfs/dbraw/zinc/57/69/07/573576907.db2.gz RPBIETIHXMGZBH-UHFFFAOYSA-N 0 0 193.124 1.838 10 0 ADAERN CC[C@](C)(O)[C@H](C)CCOC 145290495 573576909 /nfs/dbraw/zinc/57/69/09/573576909.db2.gz OGOQSXPGUNLNTI-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CNc1cc[nH]c(=S)n1 59229729 572968207 /nfs/dbraw/zinc/96/82/07/572968207.db2.gz VCBOLOBGWIGLSV-UHFFFAOYSA-N 0 0 141.199 1.181 10 0 ADAERN CC(=O)[C@@]1(O)CCC(C)=C[C@@H]1C 238441701 573585716 /nfs/dbraw/zinc/58/57/16/573585716.db2.gz BUQKKTHHJQPUQT-WCBMZHEXSA-N 0 0 168.236 1.683 10 0 ADAERN CC(C)c1noc2ncc(N)cc12 107408664 573585719 /nfs/dbraw/zinc/58/57/19/573585719.db2.gz AOELJUOPJULLGK-UHFFFAOYSA-N 0 0 177.207 1.928 10 0 ADAERN CCN(CC)C(=O)[C@H]1CC[C@@H](O)C1 308403180 573583607 /nfs/dbraw/zinc/58/36/07/573583607.db2.gz IEOUTWIKXAMMJR-DTWKUNHWSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1cc(OC[C@@H](C)O)ccc1N 83676025 573583618 /nfs/dbraw/zinc/58/36/18/573583618.db2.gz LDGTUHSLOWRWLK-MRVPVSSYSA-N 0 0 181.235 1.337 10 0 ADAERN CC[C@@H]1C[C@@]1(C(N)=O)c1ccccc1 144454129 573583621 /nfs/dbraw/zinc/58/36/21/573583621.db2.gz LTEAKDJUTUVOOF-SKDRFNHKSA-N 0 0 189.258 1.840 10 0 ADAERN CCOC(=O)CN1CCC12CCC2 308403487 573585720 /nfs/dbraw/zinc/58/57/20/573585720.db2.gz IJWDJOYWFYCDJE-UHFFFAOYSA-N 0 0 183.251 1.178 10 0 ADAERN CC1=C[C@H](C)[C@]2(C)NC(=O)[C@@H]2[C@@H]1C 238442088 573585466 /nfs/dbraw/zinc/58/54/66/573585466.db2.gz ZYPGVRFMZRKMSG-DKIAZLNASA-N 0 0 179.263 1.723 10 0 ADAERN CC(C)(C)[C@H]1CCCNC1=O 144429272 573585471 /nfs/dbraw/zinc/58/54/71/573585471.db2.gz DVNHCPJNKKRXCM-ZETCQYMHSA-N 0 0 155.241 1.559 10 0 ADAERN C[NH2+][C@@H](CC(C)C)[C@@H](C)C(=O)[O-] 259115692 573585485 /nfs/dbraw/zinc/58/54/85/573585485.db2.gz AZODDYBCHUKHEI-SFYZADRCSA-N 0 0 173.256 1.341 10 0 ADAERN OCC1(c2nccs2)CCC1 259520153 573585512 /nfs/dbraw/zinc/58/55/12/573585512.db2.gz POOYVUPTLTYPBR-UHFFFAOYSA-N 0 0 169.249 1.557 10 0 ADAERN CCCOC[C@H](NN)[C@H]1CC1(C)C 233230037 573585519 /nfs/dbraw/zinc/58/55/19/573585519.db2.gz OPHHNPFUIVKFFW-BDAKNGLRSA-N 0 0 186.299 1.291 10 0 ADAERN C[C@H](O)c1ccccc1C(C)(C)O 238441772 573585526 /nfs/dbraw/zinc/58/55/26/573585526.db2.gz QFYTVLMFCCRECV-QMMMGPOBSA-N 0 0 180.247 1.967 10 0 ADAERN CC(C)c1nsc(-n2cccn2)n1 83675962 573585552 /nfs/dbraw/zinc/58/55/52/573585552.db2.gz VMYTYPNCPCFPEX-UHFFFAOYSA-N 0 0 194.263 1.847 10 0 ADAERN C[C@@H]1C[C@H]2C(=O)CCC(=O)[C@@H]12 238442069 573585568 /nfs/dbraw/zinc/58/55/68/573585568.db2.gz SXUJNCBKTPIDBD-JHEQGTHGSA-N 0 0 152.193 1.191 10 0 ADAERN OCC1(Nc2ncns2)CCCC1 83668566 573585579 /nfs/dbraw/zinc/58/55/79/573585579.db2.gz LEADPCPFFLEPQN-UHFFFAOYSA-N 0 0 199.279 1.255 10 0 ADAERN Cn1cc2ccc(-c3ncc[nH]3)cc2n1 76188873 572960755 /nfs/dbraw/zinc/96/07/55/572960755.db2.gz CDKOGYYXCUINGS-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN Nc1occc1C(=O)c1ccccn1 76191438 572960761 /nfs/dbraw/zinc/96/07/61/572960761.db2.gz RFOSLFCNJLWVQS-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN CSc1c(N)cc(C(C)=O)n1C 75469894 573585600 /nfs/dbraw/zinc/58/56/00/573585600.db2.gz WQNDBOUKLGJWEH-UHFFFAOYSA-N 0 0 184.264 1.532 10 0 ADAERN CC(C)CCO[C@@H](C)CCO 238166322 572960987 /nfs/dbraw/zinc/96/09/87/572960987.db2.gz ACWMYIHWNRXFPC-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CC(=O)[C@@H]1CCC[C@H]1CCCO 238165367 572961010 /nfs/dbraw/zinc/96/10/10/572961010.db2.gz IJSYQFUSMKGQNO-UWVGGRQHSA-N 0 0 170.252 1.764 10 0 ADAERN CCCC[C@@H](O)c1cnn(C)c1C 86552567 572961052 /nfs/dbraw/zinc/96/10/52/572961052.db2.gz YLNNQHLOYSLNTP-SNVBAGLBSA-N 0 0 182.267 1.952 10 0 ADAERN CC[C@H](CO)C1(c2ccco2)COC1 258806108 573585604 /nfs/dbraw/zinc/58/56/04/573585604.db2.gz XHRRQDHJKUCKAG-SECBINFHSA-N 0 0 196.246 1.566 10 0 ADAERN CCC[NH2+]C1(CC(=O)[O-])CCC1 88117605 572966678 /nfs/dbraw/zinc/96/66/78/572966678.db2.gz PANWVPFWDAXAGE-UHFFFAOYSA-N 0 0 171.240 1.383 10 0 ADAERN OCc1cnccc1OCC1CC1 88110470 572966681 /nfs/dbraw/zinc/96/66/81/572966681.db2.gz PRKDSROALFPJGV-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN CCOCCO[C@@H]1CCC(=O)C1 86619309 572966702 /nfs/dbraw/zinc/96/67/02/572966702.db2.gz CNTYQRPTKQIEFY-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN COc1c(SC)cccc1C(N)=O 238441888 573585739 /nfs/dbraw/zinc/58/57/39/573585739.db2.gz PUHQCXCQFRNAOJ-UHFFFAOYSA-N 0 0 197.259 1.516 10 0 ADAERN CCc1cc(N)cs1 75468327 573585745 /nfs/dbraw/zinc/58/57/45/573585745.db2.gz UCDKDOGEOYWGHV-UHFFFAOYSA-N 0 0 127.212 1.893 10 0 ADAERN CCCCCS(=O)(=O)NC1CC1 116837739 572968039 /nfs/dbraw/zinc/96/80/39/572968039.db2.gz MMNQJVXPQXWXGM-UHFFFAOYSA-N 0 0 191.296 1.258 10 0 ADAERN CCCN(C(=O)n1ccnc1)C1CC1 88121100 572968040 /nfs/dbraw/zinc/96/80/40/572968040.db2.gz QCGKOZGNGPEIFA-UHFFFAOYSA-N 0 0 193.250 1.726 10 0 ADAERN Cc1ccsc1N(C)C(=O)CO 258800940 573585748 /nfs/dbraw/zinc/58/57/48/573585748.db2.gz KCTQNNRNNJXZJI-UHFFFAOYSA-N 0 0 185.248 1.012 10 0 ADAERN CC(C)CCO[C@@H]1CC[C@@H](O)C1 86621499 572968107 /nfs/dbraw/zinc/96/81/07/572968107.db2.gz IGELRVAPZABHCO-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN CCOC(=O)[C@](O)(CC)C1CCC1 88120844 572968108 /nfs/dbraw/zinc/96/81/08/572968108.db2.gz XMYYMBHGEMZYMY-JTQLQIEISA-N 0 0 186.251 1.491 10 0 ADAERN CCCOCCO[C@@H]1CC[C@H](O)C1 86621637 572968115 /nfs/dbraw/zinc/96/81/15/572968115.db2.gz FSHNKBGOYJSOFP-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN O=C(N1C[C@H]2CC[C@@H]1C2)n1ccnc1 88121168 572968123 /nfs/dbraw/zinc/96/81/23/572968123.db2.gz OVMMVNXZQALBNO-DTWKUNHWSA-N 0 0 191.234 1.336 10 0 ADAERN CCCCC[C@@H](O)[C@@H](O)CF 59201196 572968149 /nfs/dbraw/zinc/96/81/49/572968149.db2.gz PWZQRGQZPXOMJR-SFYZADRCSA-N 0 0 164.220 1.258 10 0 ADAERN C[C@H]1C[C@H]1CN(C)C(=O)n1ccnc1 88121147 572968163 /nfs/dbraw/zinc/96/81/63/572968163.db2.gz IYKCTIBQIGALOH-IUCAKERBSA-N 0 0 193.250 1.439 10 0 ADAERN CC(C)CCO[C@H]1CC[C@@H](O)C1 86621500 572968174 /nfs/dbraw/zinc/96/81/74/572968174.db2.gz IGELRVAPZABHCO-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CCCOC[C@@H](O)c1ccc(C)cn1 88136141 572968179 /nfs/dbraw/zinc/96/81/79/572968179.db2.gz MUKZIYGFTIWZID-LLVKDONJSA-N 0 0 195.262 1.850 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)C(=O)n1ccnc1 88121146 572968188 /nfs/dbraw/zinc/96/81/88/572968188.db2.gz IYKCTIBQIGALOH-BDAKNGLRSA-N 0 0 193.250 1.439 10 0 ADAERN Cc1cc(CNc2ncns2)on1 83654966 573585705 /nfs/dbraw/zinc/58/57/05/573585705.db2.gz KSFBMZPQKBCMSO-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN CCOc1nc(C2CC2)nc(N)c1C 87918193 572998841 /nfs/dbraw/zinc/99/88/41/572998841.db2.gz PGYQDAFQGPLSHJ-UHFFFAOYSA-N 0 0 193.250 1.643 10 0 ADAERN CCCC[C@H]1CC(=O)O[C@@H]1O 238241971 572998849 /nfs/dbraw/zinc/99/88/49/572998849.db2.gz DYFQGNFVSUWVOG-XPUUQOCRSA-N 0 0 158.197 1.058 10 0 ADAERN Cc1c(O)cccc1-c1cc(N)no1 258211867 572998862 /nfs/dbraw/zinc/99/88/62/572998862.db2.gz ZLBMLKWOWDSNNP-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C[C@H]1SCC[C@]1(O)c1ccoc1 235679248 572998873 /nfs/dbraw/zinc/99/88/73/572998873.db2.gz OGAGJPNIEWMUGY-VXNVDRBHSA-N 0 0 184.260 1.993 10 0 ADAERN CCc1nc(N[C@H]2C[C@@H]2C)cc(N)[nH+]1 87906414 572998895 /nfs/dbraw/zinc/99/88/95/572998895.db2.gz SFPFHTCSFOKSRH-BQBZGAKWSA-N 0 0 192.266 1.442 10 0 ADAERN CCC(=O)c1cc(N(C)C)ccn1 238241175 572998900 /nfs/dbraw/zinc/99/89/00/572998900.db2.gz DORZTKAALCWUAF-UHFFFAOYSA-N 0 0 178.235 1.740 10 0 ADAERN COC(=O)[C@](O)(C(C)C)C1CCC1 88120846 572968525 /nfs/dbraw/zinc/96/85/25/572968525.db2.gz FLZICAFUSVCLOS-JTQLQIEISA-N 0 0 186.251 1.347 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)C(=O)n1ccnc1 88121144 572968526 /nfs/dbraw/zinc/96/85/26/572968526.db2.gz IYKCTIBQIGALOH-RKDXNWHRSA-N 0 0 193.250 1.439 10 0 ADAERN CC(=O)CC[C@H](CC(C)C)C(N)=O 238174792 572968529 /nfs/dbraw/zinc/96/85/29/572968529.db2.gz SYKWSZYUGANYNB-SECBINFHSA-N 0 0 185.267 1.503 10 0 ADAERN COC(=O)[C@@](O)(C(C)C)C1CCC1 88120845 572968544 /nfs/dbraw/zinc/96/85/44/572968544.db2.gz FLZICAFUSVCLOS-SNVBAGLBSA-N 0 0 186.251 1.347 10 0 ADAERN FC(F)(F)COc1ncccn1 59232956 572968558 /nfs/dbraw/zinc/96/85/58/572968558.db2.gz JBABJPMDFYCWOT-UHFFFAOYSA-N 0 0 178.113 1.418 10 0 ADAERN CCCCCN(C)C(=O)n1ccnc1 88121103 572968560 /nfs/dbraw/zinc/96/85/60/572968560.db2.gz TXJFORVWMLLMGF-UHFFFAOYSA-N 0 0 195.266 1.973 10 0 ADAERN CC(C)(O)CCC(C)(C)C(N)=O 238176370 572968568 /nfs/dbraw/zinc/96/85/68/572968568.db2.gz LTGGNEHFSZYOMC-UHFFFAOYSA-N 0 0 173.256 1.049 10 0 ADAERN CCOC(=O)[C@@H](F)n1ccnc1C 88126706 572968574 /nfs/dbraw/zinc/96/85/74/572968574.db2.gz PRLUGWMOUJFVAE-ZETCQYMHSA-N 0 0 186.186 1.223 10 0 ADAERN CCCCCCNC(=O)N(C)C 59244800 572968576 /nfs/dbraw/zinc/96/85/76/572968576.db2.gz HTTFEPJPPFJYML-UHFFFAOYSA-N 0 0 172.272 1.838 10 0 ADAERN CCCCCCSC[C@H](O)CO 86660666 572969759 /nfs/dbraw/zinc/96/97/59/572969759.db2.gz IKXQTVNEUUQICP-SECBINFHSA-N 0 0 192.324 1.653 10 0 ADAERN CCn1oc(=O)c2ccc(N)cc21 257919567 572998942 /nfs/dbraw/zinc/99/89/42/572998942.db2.gz RGLMZIMCWYDBIM-UHFFFAOYSA-N 0 0 178.191 1.197 10 0 ADAERN CCOC(=O)[C@H](F)n1cc(C)cn1 88127163 572970226 /nfs/dbraw/zinc/97/02/26/572970226.db2.gz MSOPTJXUQGWEFW-SSDOTTSWSA-N 0 0 186.186 1.223 10 0 ADAERN CCOC(=O)[C@]1(C(C)=O)CCC[C@H]1C 86658854 572970233 /nfs/dbraw/zinc/97/02/33/572970233.db2.gz ZGBPLFSAAVIASZ-LDYMZIIASA-N 0 0 198.262 1.945 10 0 ADAERN CCC(=O)[C@]1(C(=O)OC)CCC[C@@H]1C 86658864 572970237 /nfs/dbraw/zinc/97/02/37/572970237.db2.gz HAILIDXNTNDZSK-KWQFWETISA-N 0 0 198.262 1.945 10 0 ADAERN CC(C)(CCC(=O)[O-])[NH+]1CCCC1 86658648 572970243 /nfs/dbraw/zinc/97/02/43/572970243.db2.gz AEWDSCZZXFPSBJ-UHFFFAOYSA-N 0 0 185.267 1.726 10 0 ADAERN CCC[C@H](C)CSC[C@@H](O)CO 86660808 572970249 /nfs/dbraw/zinc/97/02/49/572970249.db2.gz OCIPESPEVDAYHS-IUCAKERBSA-N 0 0 192.324 1.509 10 0 ADAERN COC1(CC2(O)CC2)CCC1 234649622 572970254 /nfs/dbraw/zinc/97/02/54/572970254.db2.gz ONZUDQUBXGYGIY-UHFFFAOYSA-N 0 0 156.225 1.471 10 0 ADAERN CCOC(=O)[C@@H](F)n1nccc1C 88127681 572970266 /nfs/dbraw/zinc/97/02/66/572970266.db2.gz PZSAZIWWUDMAHL-ZETCQYMHSA-N 0 0 186.186 1.223 10 0 ADAERN O=C([O-])[C@@H]1CCCC[C@H]1[NH+]1CC=CC1 113285643 572998954 /nfs/dbraw/zinc/99/89/54/572998954.db2.gz SFAUFUHJTZXKAX-NXEZZACHSA-N 0 0 195.262 1.502 10 0 ADAERN C[C@H]1CC[C@]2(C1)C[C@@H]2CO 88158249 572974390 /nfs/dbraw/zinc/97/43/90/572974390.db2.gz BMZKTJFPRKDPSI-YIZRAAEISA-N 0 0 140.226 1.805 10 0 ADAERN C[C@H]1SCCC[C@@]12C[C@@H]2CO 88158322 572974394 /nfs/dbraw/zinc/97/43/94/572974394.db2.gz BCOUMUPVHJHHHQ-IWSPIJDZSA-N 0 0 172.293 1.901 10 0 ADAERN C[C@H]1C[C@]2(CCO1)C[C@@H]2CO 88158485 572974395 /nfs/dbraw/zinc/97/43/95/572974395.db2.gz XCTRVYJCDHSLJV-DJLDLDEBSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@H]1C[C@@]2(CCO1)C[C@@H]2CO 88158483 572974397 /nfs/dbraw/zinc/97/43/97/572974397.db2.gz XCTRVYJCDHSLJV-YIZRAAEISA-N 0 0 156.225 1.184 10 0 ADAERN CC[C@H]1C[C@]2(CCO1)C[C@@H]2CO 88158481 572974404 /nfs/dbraw/zinc/97/44/04/572974404.db2.gz KVWCFWIMPBHLKG-UTLUCORTSA-N 0 0 170.252 1.574 10 0 ADAERN OC/C=C/C1CCC1 59518676 572974835 /nfs/dbraw/zinc/97/48/35/572974835.db2.gz QFPMLKPDYOHQAJ-GORDUTHDSA-N 0 0 112.172 1.335 10 0 ADAERN COCc1cccc([C@H]2C[C@@H]2CO)c1 88159159 572974870 /nfs/dbraw/zinc/97/48/70/572974870.db2.gz LCRXUMKVQSLSCG-VXGBXAGGSA-N 0 0 192.258 1.929 10 0 ADAERN COCc1cccc([C@@H]2C[C@H]2CO)c1 88159160 572974876 /nfs/dbraw/zinc/97/48/76/572974876.db2.gz LCRXUMKVQSLSCG-RYUDHWBXSA-N 0 0 192.258 1.929 10 0 ADAERN COCc1ccccc1[C@H]1C[C@H]1CO 88158864 572974878 /nfs/dbraw/zinc/97/48/78/572974878.db2.gz XEBHHFXTYWZJDJ-JQWIXIFHSA-N 0 0 192.258 1.929 10 0 ADAERN CC(C)OC1=NO[C@](C)(CCO)C1 238186684 572974900 /nfs/dbraw/zinc/97/49/00/572974900.db2.gz LPLPFVVWWKUKGU-SECBINFHSA-N 0 0 187.239 1.286 10 0 ADAERN CC(C)[C@H]1C[C@@]2(CCO1)C[C@@H]2CO 88158175 572974929 /nfs/dbraw/zinc/97/49/29/572974929.db2.gz HGEHJSIERYYPGL-GMTAPVOTSA-N 0 0 184.279 1.820 10 0 ADAERN COc1cc(O)ccc1C(C)(C)O 258211929 572998976 /nfs/dbraw/zinc/99/89/76/572998976.db2.gz ZMOICSMIOPLLRK-UHFFFAOYSA-N 0 0 182.219 1.628 10 0 ADAERN CCOc1nc(CC)nc(NC)c1C 87918191 572998977 /nfs/dbraw/zinc/99/89/77/572998977.db2.gz AVALQPRJTJKLCR-UHFFFAOYSA-N 0 0 195.266 1.788 10 0 ADAERN COc1c(F)cnc(CO)c1C 113283982 572998989 /nfs/dbraw/zinc/99/89/89/572998989.db2.gz GEJKWNIUEGBHFO-UHFFFAOYSA-N 0 0 171.171 1.030 10 0 ADAERN CCOc1nc(C(C)C)nc(N)c1C 87918196 572999006 /nfs/dbraw/zinc/99/90/06/572999006.db2.gz XQIOINQLYSOMKP-UHFFFAOYSA-N 0 0 195.266 1.889 10 0 ADAERN NOCc1cc2ccccc2cc1O 258209649 572999009 /nfs/dbraw/zinc/99/90/09/572999009.db2.gz ZDSXKSKBBCULNJ-UHFFFAOYSA-N 0 0 189.214 1.936 10 0 ADAERN CC[C@@H](O)[C@H](O)c1ccc(C)c(F)c1 223841598 572999010 /nfs/dbraw/zinc/99/90/10/572999010.db2.gz ISNYKOFYEYVHJH-GHMZBOCLSA-N 0 0 198.237 1.938 10 0 ADAERN CC1(/C=C2/CCCC[C@@H]2O)OCCO1 238240915 572999025 /nfs/dbraw/zinc/99/90/25/572999025.db2.gz HBIJUCYPTDYQHO-QROTZFDESA-N 0 0 198.262 1.611 10 0 ADAERN CCn1ccnc1CC(O)(CC)CC 86749564 572977005 /nfs/dbraw/zinc/97/70/05/572977005.db2.gz SULAGBWSHTZHIA-UHFFFAOYSA-N 0 0 196.294 1.997 10 0 ADAERN CNc1ccc(CC(C)C)nn1 84027440 572977018 /nfs/dbraw/zinc/97/70/18/572977018.db2.gz IYJSBKMFWPTMEN-UHFFFAOYSA-N 0 0 165.240 1.717 10 0 ADAERN CC/C(=C\C1CC1)[N+](=O)[O-] 51690990 572977020 /nfs/dbraw/zinc/97/70/20/572977020.db2.gz PTIQHOVLECGUHT-FNORWQNLSA-N 0 0 141.170 1.967 10 0 ADAERN CCc1nc(N)c(C)c(OC(C)C)n1 87918216 572999031 /nfs/dbraw/zinc/99/90/31/572999031.db2.gz RAKZFKIGACXWKG-UHFFFAOYSA-N 0 0 195.266 1.717 10 0 ADAERN CCn1ccnc1C[C@](C)(O)C1CC1 86749582 572977046 /nfs/dbraw/zinc/97/70/46/572977046.db2.gz QLKZWUAAMOONTK-NSHDSACASA-N 0 0 194.278 1.607 10 0 ADAERN CCCCC[C@@H](O)COC 51697061 572977065 /nfs/dbraw/zinc/97/70/65/572977065.db2.gz CJCBDOHHUWHWKU-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN OCc1nc(-c2cccc(O)c2)co1 257833689 573587118 /nfs/dbraw/zinc/58/71/18/573587118.db2.gz KCOVVAVMUOVVGO-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CC1(C)[C@@H](/C=C/CO)[C@H]1/C=C\CO 308218968 572995773 /nfs/dbraw/zinc/99/57/73/572995773.db2.gz NMVLCTVASHJKFN-UQGYXKRDSA-N 0 0 182.263 1.356 10 0 ADAERN NOCc1ccc2cc[nH]c2c1 257916827 572995774 /nfs/dbraw/zinc/99/57/74/572995774.db2.gz BPHUAJQCAPYIJY-UHFFFAOYSA-N 0 0 162.192 1.558 10 0 ADAERN Cc1cc(CNc2ncns2)no1 83654895 573587127 /nfs/dbraw/zinc/58/71/27/573587127.db2.gz VJLLUVFEOHNSCD-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN Nc1n[nH]c2c1CC(F)(F)CC2 257918481 572998675 /nfs/dbraw/zinc/99/86/75/572998675.db2.gz REXMXDRNNHPGHW-UHFFFAOYSA-N 0 0 173.166 1.116 10 0 ADAERN O=C1N[C@H](c2ccccc2)SC1=O 113266554 572998681 /nfs/dbraw/zinc/99/86/81/572998681.db2.gz GLSYWLKXRVCFLH-QMMMGPOBSA-N 0 0 193.227 1.075 10 0 ADAERN CCCC[C@H]1CC(=O)C[C@@H]1O 238241621 572998707 /nfs/dbraw/zinc/99/87/07/572998707.db2.gz SOTAMIKKXBYLCM-CBAPKCEASA-N 0 0 156.225 1.517 10 0 ADAERN CC1=CC[C@]2(CC1)C(=O)CC[C@H]2O 238241085 572998714 /nfs/dbraw/zinc/99/87/14/572998714.db2.gz BQXGLCFWHHHEHZ-MWLCHTKSSA-N 0 0 180.247 1.827 10 0 ADAERN C[C@H]1C[C@H]1CC(=O)N(C)CC(F)F 308219039 572998736 /nfs/dbraw/zinc/99/87/36/572998736.db2.gz BHXHPDHVQSZZPN-BQBZGAKWSA-N 0 0 191.221 1.756 10 0 ADAERN COc1nc(C(C)(C)C)nc(N)c1C 87918180 572998747 /nfs/dbraw/zinc/99/87/47/572998747.db2.gz MCOUINPRIPYBET-UHFFFAOYSA-N 0 0 195.266 1.673 10 0 ADAERN Oc1cccn2c(C3CCC3)nnc12 258210377 572998756 /nfs/dbraw/zinc/99/87/56/572998756.db2.gz KILCMFOTZCMHFC-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN CC1(/C=C2/CCCC[C@H]2O)OCCO1 238240921 572998768 /nfs/dbraw/zinc/99/87/68/572998768.db2.gz HBIJUCYPTDYQHO-HSTULFTRSA-N 0 0 198.262 1.611 10 0 ADAERN CCNc1cc(=O)[nH]c(C(C)(C)C)n1 87909291 572998770 /nfs/dbraw/zinc/99/87/70/572998770.db2.gz AIBMANWJFNPQMF-UHFFFAOYSA-N 0 0 195.266 1.499 10 0 ADAERN C[C@@H](O)C(F)(F)[C@H]1CCCCO1 257918371 572998780 /nfs/dbraw/zinc/99/87/80/572998780.db2.gz RDIPSUNKRHICQV-RNFRBKRXSA-N 0 0 180.194 1.572 10 0 ADAERN C[C@]1(c2cccs2)CNC(=O)CO1 258212796 572998815 /nfs/dbraw/zinc/99/88/15/572998815.db2.gz GGBRHKUDORLJHY-SECBINFHSA-N 0 0 197.259 1.110 10 0 ADAERN CCc1nc(N[C@H](C)CC)cc(N)[nH+]1 87906186 572998829 /nfs/dbraw/zinc/99/88/29/572998829.db2.gz PIIWRTSXGTVFPW-SSDOTTSWSA-N 0 0 194.282 1.832 10 0 ADAERN CCOC(=O)C1=C[C@H]2SC=C[C@H]2N1 238252849 573013903 /nfs/dbraw/zinc/01/39/03/573013903.db2.gz UWODPHGWHLYEIS-HTRCEHHLSA-N 0 0 197.259 1.034 10 0 ADAERN CC[C@@H]1C[C@]1(C(N)=O)c1ccccc1 144454498 573587136 /nfs/dbraw/zinc/58/71/36/573587136.db2.gz LTEAKDJUTUVOOF-BXKDBHETSA-N 0 0 189.258 1.840 10 0 ADAERN O=C(CC1CCCC1)OC1COC1 308405304 573587148 /nfs/dbraw/zinc/58/71/48/573587148.db2.gz LIEGVPMXHNAHLT-UHFFFAOYSA-N 0 0 184.235 1.509 10 0 ADAERN COc1ccc(CO)cc1SC 224947124 573587151 /nfs/dbraw/zinc/58/71/51/573587151.db2.gz TVTCGXGYLZEARK-UHFFFAOYSA-N 0 0 184.260 1.909 10 0 ADAERN CC[N@@H+]1CCC[C@@H]([C@@H](C)C(=O)[O-])CC1 86717448 573587152 /nfs/dbraw/zinc/58/71/52/573587152.db2.gz XUSXFYKBTYXCFP-NXEZZACHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](O)CN1CCc2ccc(N)cc21 83676989 573587159 /nfs/dbraw/zinc/58/71/59/573587159.db2.gz CFIULHQDRSMAGI-QMMMGPOBSA-N 0 0 192.262 1.012 10 0 ADAERN C[C@@H]1C(=O)N[C@]2(C)C[C@@H](C)[C@H]12 238445701 573587181 /nfs/dbraw/zinc/58/71/81/573587181.db2.gz MGBZOYHPRHAEKV-JVZYCSMKSA-N 0 0 153.225 1.167 10 0 ADAERN Cc1cc2c(NN)cccc2cn1 104544019 572999071 /nfs/dbraw/zinc/99/90/71/572999071.db2.gz STKANRLLYYZBPJ-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN C[C@@H](CO)CN(C)C(=O)C1CCCC1 688722402 572999107 /nfs/dbraw/zinc/99/91/07/572999107.db2.gz WRVZLJTYUXVQCC-SECBINFHSA-N 0 0 199.294 1.263 10 0 ADAERN CCCc1nc(Cl)c2c(n1)CNC2 258212832 572999108 /nfs/dbraw/zinc/99/91/08/572999108.db2.gz XVDSHUSPEASTPF-UHFFFAOYSA-N 0 0 197.669 1.686 10 0 ADAERN Cc1c[nH]c2ccc(CCON)cc12 258209808 572999115 /nfs/dbraw/zinc/99/91/15/572999115.db2.gz ZGZAYNDCOYZFND-UHFFFAOYSA-N 0 0 190.246 1.909 10 0 ADAERN CON[C@H]1CCC[C@@H]1CCCCO 224234821 572999851 /nfs/dbraw/zinc/99/98/51/572999851.db2.gz LETMOMWMEMOPKZ-UWVGGRQHSA-N 0 0 187.283 1.469 10 0 ADAERN C[C@H](CO)CN(C)C(=O)C1CCCC1 688722405 572999856 /nfs/dbraw/zinc/99/98/56/572999856.db2.gz WRVZLJTYUXVQCC-VIFPVBQESA-N 0 0 199.294 1.263 10 0 ADAERN CCCC(=O)[C@@H]1O[C@H]1CC 238242347 572999886 /nfs/dbraw/zinc/99/98/86/572999886.db2.gz UMSDKJBYNLFUSG-YUMQZZPRSA-N 0 0 142.198 1.533 10 0 ADAERN CCN1CC[C@@H](O)c2ccc(C)nc21 238242266 572999896 /nfs/dbraw/zinc/99/98/96/572999896.db2.gz YIAIPYNBGHUWQL-SNVBAGLBSA-N 0 0 192.262 1.653 10 0 ADAERN CCCC(=O)[C@@H]1OC(=O)C[C@H]1C 238242229 572999932 /nfs/dbraw/zinc/99/99/32/572999932.db2.gz WXWSEQJQWIDRBN-HZGVNTEJSA-N 0 0 170.208 1.307 10 0 ADAERN CCCc1cnc(SC)nc1NN 104544254 572999933 /nfs/dbraw/zinc/99/99/33/572999933.db2.gz ZNMUZYLDPYYJNA-UHFFFAOYSA-N 0 0 198.295 1.437 10 0 ADAERN NNC(=S)c1c[nH]c2ccccc12 104542728 572999941 /nfs/dbraw/zinc/99/99/41/572999941.db2.gz ZEKQGAREHIWHCB-UHFFFAOYSA-N 0 0 191.259 1.307 10 0 ADAERN COc1c(C)c[n+]([O-])c(C)c1Cl 113284065 572999952 /nfs/dbraw/zinc/99/99/52/572999952.db2.gz INJMOTLBHILVQX-UHFFFAOYSA-N 0 0 187.626 1.599 10 0 ADAERN CCCC(=O)[C@@H]1OC1(C)C 238242250 572999959 /nfs/dbraw/zinc/99/99/59/572999959.db2.gz LUKGQPOOXGLSMR-ZETCQYMHSA-N 0 0 142.198 1.533 10 0 ADAERN C[C@H]1CC[C@H](C(C)(C)NN)C(=O)C1 104538499 572999960 /nfs/dbraw/zinc/99/99/60/572999960.db2.gz NQVWHUUNFIMSCQ-YUMQZZPRSA-N 0 0 184.283 1.234 10 0 ADAERN CC(C)=CC(=O)OCc1ncon1 308218446 572999973 /nfs/dbraw/zinc/99/99/73/572999973.db2.gz BFFSPSFQAGNSOB-UHFFFAOYSA-N 0 0 182.179 1.079 10 0 ADAERN Cc1ccc([C@H](O)C(C)(C)O)cc1F 223840627 572999983 /nfs/dbraw/zinc/99/99/83/572999983.db2.gz GMKRWYNQJCJCHO-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN CC[C@@H](OC)C(=O)CCCCOC 308218253 573000003 /nfs/dbraw/zinc/00/00/03/573000003.db2.gz NDPXRYWGMLNYPL-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN COC(=O)[C@H](SC)C(C)C 259302786 573000011 /nfs/dbraw/zinc/00/00/11/573000011.db2.gz UMPJLTKPFLSDIL-ZCFIWIBFSA-N 0 0 162.254 1.547 10 0 ADAERN CC1(c2ccccc2)CNC(=O)NC1 238242358 573000016 /nfs/dbraw/zinc/00/00/16/573000016.db2.gz KTVWSDLXXSAJLE-UHFFFAOYSA-N 0 0 190.246 1.257 10 0 ADAERN CCC1=C[C@](C)(CC)[NH+]=C([O-])N1 238242309 573000029 /nfs/dbraw/zinc/00/00/29/573000029.db2.gz JTUUMQNXJKGLGG-VIFPVBQESA-N 0 0 168.240 1.762 10 0 ADAERN COC[C@H](C)COC(=O)CC(C)C 308217777 573000031 /nfs/dbraw/zinc/00/00/31/573000031.db2.gz AVVIEMGORXQLDA-VIFPVBQESA-N 0 0 188.267 1.858 10 0 ADAERN CC[C@H](O)C(=O)NC(C)(C)C1CC1 308219038 573000052 /nfs/dbraw/zinc/00/00/52/573000052.db2.gz KJSONWDQFLHXFX-QMMMGPOBSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2cc(O)ccc2N1 258212116 573000056 /nfs/dbraw/zinc/00/00/56/573000056.db2.gz VHHYENXJJNCEFC-VXNVDRBHSA-N 0 0 193.246 1.500 10 0 ADAERN CN[C@@H](N)c1ccc(F)c(Cl)c1 259302288 573000065 /nfs/dbraw/zinc/00/00/65/573000065.db2.gz KDFCXXBFKGGKQK-MRVPVSSYSA-N 0 0 188.633 1.656 10 0 ADAERN NNc1cc(Cl)ccc1O 104538530 573000068 /nfs/dbraw/zinc/00/00/68/573000068.db2.gz ZOGPTJMMIFDHIF-UHFFFAOYSA-N 0 0 158.588 1.331 10 0 ADAERN CCCC[C@H]1CC=CC(=O)N1 238242409 573000076 /nfs/dbraw/zinc/00/00/76/573000076.db2.gz AFFKGMHEBQUNJD-QMMMGPOBSA-N 0 0 153.225 1.621 10 0 ADAERN OCCOc1cccs1 113253499 573000078 /nfs/dbraw/zinc/00/00/78/573000078.db2.gz ZOCAUADSJATSIW-UHFFFAOYSA-N 0 0 144.195 1.119 10 0 ADAERN C[C@@H](O)Cc1cccc2c1CCN2 257918341 573000086 /nfs/dbraw/zinc/00/00/86/573000086.db2.gz RCWQBYVYTXMHOI-MRVPVSSYSA-N 0 0 177.247 1.578 10 0 ADAERN COC(=O)CC[C@]1(C)CC[C@@H]1CO 308219631 573000091 /nfs/dbraw/zinc/00/00/91/573000091.db2.gz NUMPNPFZGQXVQV-SCZZXKLOSA-N 0 0 186.251 1.348 10 0 ADAERN CCCCSC(=S)NN 104534319 573000094 /nfs/dbraw/zinc/00/00/94/573000094.db2.gz XMEGFGKLMZOUTD-UHFFFAOYSA-N 0 0 164.299 1.268 10 0 ADAERN CC[N@@H+]1CCC[C@@H]1/C=C\CC(=O)[O-] 258210258 573000122 /nfs/dbraw/zinc/00/01/22/573000122.db2.gz NZUKNHRWTUTRSD-LVCFMKKZSA-N 0 0 183.251 1.502 10 0 ADAERN CC1(c2ccccc2)OCC(O)CO1 238242401 573000147 /nfs/dbraw/zinc/00/01/47/573000147.db2.gz IUPFAIPIKKAIRJ-UHFFFAOYSA-N 0 0 194.230 1.267 10 0 ADAERN CCC[N@@H+]1CC2CC(C2)[C@H]1C(=O)[O-] 257919506 573000157 /nfs/dbraw/zinc/00/01/57/573000157.db2.gz RFYFMHXGXCDJII-HACHORDNSA-N 0 0 183.251 1.191 10 0 ADAERN CCC1=NC(=S)C(C)(C)N1 238242482 573000176 /nfs/dbraw/zinc/00/01/76/573000176.db2.gz KKEMMBIYJBSGGK-UHFFFAOYSA-N 0 0 156.254 1.504 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C1CCCC1)[NH+](C)C 259302437 573000181 /nfs/dbraw/zinc/00/01/81/573000181.db2.gz DCVUTGBAQDTLSN-WPRPVWTQSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](O)c1ccccc1-n1nccn1 258209833 573000184 /nfs/dbraw/zinc/00/01/84/573000184.db2.gz ZHSHEFWNXQBKJG-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN C[C@H]1SCC[C@]1(O)c1ccnn1C 235679213 573000189 /nfs/dbraw/zinc/00/01/89/573000189.db2.gz AYBPZSWOMOXFIE-VXNVDRBHSA-N 0 0 198.291 1.133 10 0 ADAERN CC(=O)COC(=O)C(C)(C)C(F)F 308218303 573000204 /nfs/dbraw/zinc/00/02/04/573000204.db2.gz AYWKJAPOIPSHAO-UHFFFAOYSA-N 0 0 194.177 1.410 10 0 ADAERN C[C@H](O)c1ccccc1-n1nccn1 258209835 573000210 /nfs/dbraw/zinc/00/02/10/573000210.db2.gz ZHSHEFWNXQBKJG-QMMMGPOBSA-N 0 0 189.218 1.321 10 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192.258 1.460 10 0 ADAERN CC(C)C[C@H](CO)Cc1cnn(C)n1 308471986 573000266 /nfs/dbraw/zinc/00/02/66/573000266.db2.gz IHGFDSJAKKVZNL-VIFPVBQESA-N 0 0 197.282 1.012 10 0 ADAERN CCSCC(=O)c1c(C)cnn1C 308218249 573000283 /nfs/dbraw/zinc/00/02/83/573000283.db2.gz NDAVZMJGVOCNMU-UHFFFAOYSA-N 0 0 198.291 1.664 10 0 ADAERN O=C([O-])[C@H]1CC[C@H]1[NH+]1CCCCCC1 87920177 573000290 /nfs/dbraw/zinc/00/02/90/573000290.db2.gz IYHBODINOYBJDA-VHSXEESVSA-N 0 0 197.278 1.726 10 0 ADAERN CCc1nnc2c(OC)cccn12 258210411 573000308 /nfs/dbraw/zinc/00/03/08/573000308.db2.gz KJHOKLLBXIEUGA-UHFFFAOYSA-N 0 0 177.207 1.300 10 0 ADAERN C[C@H](O)C(F)(F)[C@@H]1CCCCO1 257918366 573000311 /nfs/dbraw/zinc/00/03/11/573000311.db2.gz RDIPSUNKRHICQV-BQBZGAKWSA-N 0 0 180.194 1.572 10 0 ADAERN COC(=O)[C@@H]1C[C@@H](C2CCCC2)N1 257923644 573000319 /nfs/dbraw/zinc/00/03/19/573000319.db2.gz RUGBCGZBICMVTN-IUCAKERBSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@]1(CO)CCc2c(F)cccc2N1 258211082 573000320 /nfs/dbraw/zinc/00/03/20/573000320.db2.gz OSMWSJVALDZBIZ-LLVKDONJSA-N 0 0 195.237 1.935 10 0 ADAERN c1nocc1OC1CCC1 258799146 573587200 /nfs/dbraw/zinc/58/72/00/573587200.db2.gz XYYOJMFCLKYJQL-UHFFFAOYSA-N 0 0 139.154 1.606 10 0 ADAERN COc1cc(NC=O)c(OC)cc1C 144433480 573587206 /nfs/dbraw/zinc/58/72/06/573587206.db2.gz ACIOKJHXMUWHNK-UHFFFAOYSA-N 0 0 195.218 1.581 10 0 ADAERN COC(=O)C[C@@H]1COCCC1(F)F 259594735 573010223 /nfs/dbraw/zinc/01/02/23/573010223.db2.gz FCOTVJBVZMAKHB-ZCFIWIBFSA-N 0 0 194.177 1.221 10 0 ADAERN Cc1ccc2c(c1)[C@H]([C@H](C)O)CN2C 258218416 573010255 /nfs/dbraw/zinc/01/02/55/573010255.db2.gz VPZFDSLLXRCCBV-ONGXEEELSA-N 0 0 191.274 1.909 10 0 ADAERN CC[C@H](C)/C=C/C(N)=O 104556599 573010257 /nfs/dbraw/zinc/01/02/57/573010257.db2.gz YGXPYUPSKSQXSO-OVCGOVNKSA-N 0 0 127.187 1.074 10 0 ADAERN Cc1cc2ccc(C(=O)CN)cc2o1 82391016 573587216 /nfs/dbraw/zinc/58/72/16/573587216.db2.gz LHZBWSPALORHPM-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN Cc1cccc(OC[C@@H](C)O)c1N 83676079 573587220 /nfs/dbraw/zinc/58/72/20/573587220.db2.gz KCGBYQDVHZRBTP-MRVPVSSYSA-N 0 0 181.235 1.337 10 0 ADAERN CCn1ccc(CN(C)CCF)c1 308221868 573010699 /nfs/dbraw/zinc/01/06/99/573010699.db2.gz CVTCRXJLMIRUTE-UHFFFAOYSA-N 0 0 184.258 1.909 10 0 ADAERN CC(C)OC(=O)CN1CC[C@@H]2C[C@@H]21 308221617 573010731 /nfs/dbraw/zinc/01/07/31/573010731.db2.gz CJINZQNXHDXKSB-BDAKNGLRSA-N 0 0 183.251 1.032 10 0 ADAERN CC(C)(O)[C@@H]1CCCOC1 224949383 573587253 /nfs/dbraw/zinc/58/72/53/573587253.db2.gz SBOXTIJTWBTNKI-SSDOTTSWSA-N 0 0 144.214 1.184 10 0 ADAERN CCCC[C@H](C)CC(N)=O 104563872 573013876 /nfs/dbraw/zinc/01/38/76/573013876.db2.gz YLZYCYYKBFWDOU-ZETCQYMHSA-N 0 0 143.230 1.688 10 0 ADAERN CPc1ccccc1N 104564189 573013882 /nfs/dbraw/zinc/01/38/82/573013882.db2.gz MWMMXBJDXQFWCE-UHFFFAOYSA-N 0 0 139.138 1.202 10 0 ADAERN C[C@H](NN)c1ccc(Cl)nc1 104560036 573013887 /nfs/dbraw/zinc/01/38/87/573013887.db2.gz UJUCLYVWWJFHTA-YFKPBYRVSA-N 0 0 171.631 1.259 10 0 ADAERN C[C@H](CO)[C@@H](C)N[C@@H](C)C(F)(F)F 308223659 573013889 /nfs/dbraw/zinc/01/38/89/573013889.db2.gz DAPURDKPISVKHH-QYNIQEEDSA-N 0 0 199.216 1.544 10 0 ADAERN CCN(N)Cc1cccc(O)c1 238253113 573014055 /nfs/dbraw/zinc/01/40/55/573014055.db2.gz HCDMVVJKWLYPOS-UHFFFAOYSA-N 0 0 166.224 1.088 10 0 ADAERN NN[C@@H]1C2=CC=N[C@H]2c2ccccc21 104564464 573014065 /nfs/dbraw/zinc/01/40/65/573014065.db2.gz PXSMGWOBMSQNFH-QWRGUYRKSA-N 0 0 185.230 1.257 10 0 ADAERN C[C@H]1Nc2cccc(N)c2N(C)C1=O 259311247 573014085 /nfs/dbraw/zinc/01/40/85/573014085.db2.gz RIQLTUBYJZDBOD-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN C[C@H](NN)c1sccc1Cl 104558836 573014123 /nfs/dbraw/zinc/01/41/23/573014123.db2.gz GXDCAKRXCOBPER-BYPYZUCNSA-N 0 0 176.672 1.926 10 0 ADAERN CCC(CC)[C@H](O)c1ncnn1C 308223380 573014128 /nfs/dbraw/zinc/01/41/28/573014128.db2.gz PMHLVTHUBAVJBX-QMMMGPOBSA-N 0 0 183.255 1.285 10 0 ADAERN O[C@@H]1CC[C@@H](Oc2cccnc2)C1 259595047 573014133 /nfs/dbraw/zinc/01/41/33/573014133.db2.gz PSMMUNGKPXYFQD-RKDXNWHRSA-N 0 0 179.219 1.374 10 0 ADAERN C[C@H](C1CC1)[C@H](NN)c1cccnc1 128379715 573014140 /nfs/dbraw/zinc/01/41/40/573014140.db2.gz PCGQMGFHWXMPIJ-KCJUWKMLSA-N 0 0 191.278 1.632 10 0 ADAERN O=C([O-])c1ocnc1[C@H]1CCCC[NH2+]1 258226192 573014147 /nfs/dbraw/zinc/01/41/47/573014147.db2.gz ZAEMTJKLANJKHN-ZCFIWIBFSA-N 0 0 196.206 1.187 10 0 ADAERN C[C@H]1CCCc2nncn21 258225285 573014166 /nfs/dbraw/zinc/01/41/66/573014166.db2.gz LCICZTNWVKOEHI-LURJTMIESA-N 0 0 137.186 1.175 10 0 ADAERN Cc1ccc(-c2nc[nH]n2)cc1NN 104559986 573014187 /nfs/dbraw/zinc/01/41/87/573014187.db2.gz POEDGSVRJVYSRO-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN CC(N)=C1C=CC=C1 104564838 573014289 /nfs/dbraw/zinc/01/42/89/573014289.db2.gz NQMAZILNWHLNBW-UHFFFAOYSA-N 0 0 107.156 1.345 10 0 ADAERN CO[C@@H]1CCC=C(CCCCO)O1 308222580 573014345 /nfs/dbraw/zinc/01/43/45/573014345.db2.gz OYZWILSEBFZBBL-JTQLQIEISA-N 0 0 186.251 1.816 10 0 ADAERN C[C@H]1CCCN(C(=O)n2ccnc2)C1 82390151 573014409 /nfs/dbraw/zinc/01/44/09/573014409.db2.gz KXBGEGGXCLNNOI-VIFPVBQESA-N 0 0 193.250 1.583 10 0 ADAERN CC(C)c1ccc(NN)c(=O)cc1 104564435 573014422 /nfs/dbraw/zinc/01/44/22/573014422.db2.gz VMYRPOPIJFBJSM-UHFFFAOYSA-N 0 0 178.235 1.456 10 0 ADAERN COC(CC[C@H](C)/C=C\CO)OC 308224337 573014449 /nfs/dbraw/zinc/01/44/49/573014449.db2.gz PYDTZZHUKYETTE-XRVBUDJMSA-N 0 0 188.267 1.570 10 0 ADAERN CCc1ncc(CO)cc1F 113608103 573014458 /nfs/dbraw/zinc/01/44/58/573014458.db2.gz KKZVLCNWPPDXKJ-UHFFFAOYSA-N 0 0 155.172 1.275 10 0 ADAERN CC1(C)C[C@](C)([NH3+])SC(=S)[N-]1 238252682 573014483 /nfs/dbraw/zinc/01/44/83/573014483.db2.gz VOABENFCOUEANJ-SSDOTTSWSA-N 0 0 190.337 1.451 10 0 ADAERN CCOC(=O)C1[C@H]2CCC(O)CC[C@H]12 113654662 573014484 /nfs/dbraw/zinc/01/44/84/573014484.db2.gz LHGBUBYCJCCFOA-ZNHWEVIXSA-N 0 0 198.262 1.347 10 0 ADAERN CC1=C(C(N)=O)CCCC1 104564824 573014487 /nfs/dbraw/zinc/01/44/87/573014487.db2.gz FZMNVDGCWCEVLP-UHFFFAOYSA-N 0 0 139.198 1.362 10 0 ADAERN C[C@@H](CO)c1coc(C2CC2)n1 258225661 573014502 /nfs/dbraw/zinc/01/45/02/573014502.db2.gz VHMDWMRLYKKKIN-LURJTMIESA-N 0 0 167.208 1.648 10 0 ADAERN O=CNc1cccc2[nH]ccc12 113636519 573014518 /nfs/dbraw/zinc/01/45/18/573014518.db2.gz UMMIYZHQNYVCDN-UHFFFAOYSA-N 0 0 160.176 1.736 10 0 ADAERN CCP(CC)CO 141701083 573014530 /nfs/dbraw/zinc/01/45/30/573014530.db2.gz PQAITLDRNPYLBW-UHFFFAOYSA-N 0 0 120.132 1.458 10 0 ADAERN CCOC(=O)C1=C[C@@H]2SC=C[C@@H]2N1 238252751 573014532 /nfs/dbraw/zinc/01/45/32/573014532.db2.gz UWODPHGWHLYEIS-XPUUQOCRSA-N 0 0 197.259 1.034 10 0 ADAERN CCCCCOC(=O)[C@@H](CC)CO 308480287 573014544 /nfs/dbraw/zinc/01/45/44/573014544.db2.gz MYRHUJFFQROTBC-VIFPVBQESA-N 0 0 188.267 1.738 10 0 ADAERN C[C@@H]1Cc2cc(CON)ccc2N1 258224199 573014546 /nfs/dbraw/zinc/01/45/46/573014546.db2.gz WAWVOCPEJWDGEH-SSDOTTSWSA-N 0 0 178.235 1.433 10 0 ADAERN CCCCOC(=O)[C@H](CO)C(C)C 308223383 573014586 /nfs/dbraw/zinc/01/45/86/573014586.db2.gz MDOGTBAWCJLMHH-SECBINFHSA-N 0 0 188.267 1.594 10 0 ADAERN C[C@H]1Nc2cc(F)cc(F)c2NC1=O 123440964 573014632 /nfs/dbraw/zinc/01/46/32/573014632.db2.gz OZJRBJDUQUGKRV-SCSAIBSYSA-N 0 0 198.172 1.717 10 0 ADAERN C[C@H]1CCCC=C1C(N)=O 104564833 573015214 /nfs/dbraw/zinc/01/52/14/573015214.db2.gz FLFYKGWATXTDSU-LURJTMIESA-N 0 0 139.198 1.218 10 0 ADAERN COC/C=C\C(=O)NCCCCF 308405265 573588216 /nfs/dbraw/zinc/58/82/16/573588216.db2.gz LFEMFXXAERIYNR-PLNGDYQASA-N 0 0 189.230 1.055 10 0 ADAERN C[C@@H]1CC[C@@H](CO)[C@@H]1C 238443316 573588221 /nfs/dbraw/zinc/58/82/21/573588221.db2.gz FFUHIRMAVFSCDW-PRJMDXOYSA-N 0 0 128.215 1.661 10 0 ADAERN CC(C)[C@@H](C)CNc1n[nH]c(N)n1 85420624 573015466 /nfs/dbraw/zinc/01/54/66/573015466.db2.gz MOIJSVZDCDZKIE-LURJTMIESA-N 0 0 183.259 1.091 10 0 ADAERN CCONCc1ccccn1 82382997 573015473 /nfs/dbraw/zinc/01/54/73/573015473.db2.gz FWATWPYAKRISGZ-UHFFFAOYSA-N 0 0 152.197 1.123 10 0 ADAERN N=C(N)C(F)(F)Cc1ccccc1 259595265 573015558 /nfs/dbraw/zinc/01/55/58/573015558.db2.gz CVWFFASAJJENMT-UHFFFAOYSA-N 0 0 184.189 1.800 10 0 ADAERN COC(=O)C[C@H]1CC[C@@H](C)O[C@H]1C 259516404 573588245 /nfs/dbraw/zinc/58/82/45/573588245.db2.gz CQSAFCUVYFQYOW-HRDYMLBCSA-N 0 0 186.251 1.753 10 0 ADAERN O=C(C=C(O)[C@@H]1CCCO1)C1CC1 379343046 573019357 /nfs/dbraw/zinc/01/93/57/573019357.db2.gz IRHWTCAZZULIIT-JTQLQIEISA-N 0 0 182.219 1.104 10 0 ADAERN CO[C@@H]1CCC[C@H]1Nc1ncns1 83668287 573588264 /nfs/dbraw/zinc/58/82/64/573588264.db2.gz OQIQWDKMQVZBEG-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN CC(=O)OC[C@H]1CC[C@H](C)C1=O 238442951 573588287 /nfs/dbraw/zinc/58/82/87/573588287.db2.gz RTGSNWZJSBGGSM-POYBYMJQSA-N 0 0 170.208 1.165 10 0 ADAERN CC(C)(C)CNc1ncns1 83653949 573588295 /nfs/dbraw/zinc/58/82/95/573588295.db2.gz MBRGQTKGWFCUDF-UHFFFAOYSA-N 0 0 171.269 1.996 10 0 ADAERN O[C@H](c1ccncc1)[C@@H]1CCCOC1 224956926 573588300 /nfs/dbraw/zinc/58/83/00/573588300.db2.gz ZGUCJHVIVUEOGJ-GHMZBOCLSA-N 0 0 193.246 1.542 10 0 ADAERN CC[C@H](C)[C@@H](C)Nc1n[nH]c(N)n1 85420070 573020013 /nfs/dbraw/zinc/02/00/13/573020013.db2.gz MPKITESJEQQFSJ-NTSWFWBYSA-N 0 0 183.259 1.233 10 0 ADAERN OCc1ccc(N2CC3(CC3)C2)cc1 123452381 573024886 /nfs/dbraw/zinc/02/48/86/573024886.db2.gz BBWMUXHODRGTOX-UHFFFAOYSA-N 0 0 189.258 1.779 10 0 ADAERN CCN(CC(F)(F)F)[C@H]1C[C@H]1CO 308228635 573024899 /nfs/dbraw/zinc/02/48/99/573024899.db2.gz NXAVKKRDFOUMAC-BQBZGAKWSA-N 0 0 197.200 1.251 10 0 ADAERN CC(C)OCc1cc(N)no1 257924594 573024900 /nfs/dbraw/zinc/02/49/00/573024900.db2.gz OFVLSVJSERZKCT-UHFFFAOYSA-N 0 0 156.185 1.182 10 0 ADAERN CN[C@@H]1C[C@H](c2ccccc2)OC1=O 113689977 573024908 /nfs/dbraw/zinc/02/49/08/573024908.db2.gz ZQJFYADSTIKJRP-NXEZZACHSA-N 0 0 191.230 1.263 10 0 ADAERN CC[C@H](C)OCn1ccc(=O)c(C)c1 308479074 573024909 /nfs/dbraw/zinc/02/49/09/573024909.db2.gz FWMLXNVMKFBNSX-JTQLQIEISA-N 0 0 195.262 1.929 10 0 ADAERN Cc1ccncc1[C@H](O)C1CC1 85440329 573024942 /nfs/dbraw/zinc/02/49/42/573024942.db2.gz DNFZXANRWSMOCA-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN Cc1cc(N[C@H]2C[C@@H]2C)nc(N)[nH+]1 82403777 573024944 /nfs/dbraw/zinc/02/49/44/573024944.db2.gz SNGGSDXLTADXKS-FSPLSTOPSA-N 0 0 178.239 1.188 10 0 ADAERN C[C@@H]1Cc2c(N)ccc(O)c2O1 113681346 573024950 /nfs/dbraw/zinc/02/49/50/573024950.db2.gz WZKBWAMAIFEPOJ-RXMQYKEDSA-N 0 0 165.192 1.298 10 0 ADAERN C[C@H]1CCCN(c2n[nH]c(N)n2)[C@@H]1C 85419919 573020033 /nfs/dbraw/zinc/02/00/33/573020033.db2.gz GFZLUZDJJCCNAT-NKWVEPMBSA-N 0 0 195.270 1.012 10 0 ADAERN CC(=O)CO[C@H](C)C(F)(F)F 85422182 573020166 /nfs/dbraw/zinc/02/01/66/573020166.db2.gz MFTSURDWKHPDLT-RXMQYKEDSA-N 0 0 170.130 1.543 10 0 ADAERN Cc1ccc(N(C)[C@@H](C)C(=O)[O-])nc1 85424404 573020172 /nfs/dbraw/zinc/02/01/72/573020172.db2.gz AXNDBYQDGHJABL-QMMMGPOBSA-N 0 0 194.234 1.299 10 0 ADAERN CC[C@@H](NN)C1CCCCC1 113654865 573020178 /nfs/dbraw/zinc/02/01/78/573020178.db2.gz IPMYFEAYAQVHQS-SECBINFHSA-N 0 0 156.273 1.809 10 0 ADAERN CCC(=O)Oc1ccccc1N 113660098 573020231 /nfs/dbraw/zinc/02/02/31/573020231.db2.gz SZRDAPPNEFLUPJ-UHFFFAOYSA-N 0 0 165.192 1.584 10 0 ADAERN CC/C=C\C[C@@H]1O[C@H](OC)C[C@@H]1O 308226477 573020240 /nfs/dbraw/zinc/02/02/40/573020240.db2.gz QVAQCPKTEQSAMH-KXEGTFGRSA-N 0 0 186.251 1.465 10 0 ADAERN CC(C)(C)c1cc(C(=N)N)on1 113640166 573020242 /nfs/dbraw/zinc/02/02/42/573020242.db2.gz YFJIYKJECMZVIY-UHFFFAOYSA-N 0 0 167.212 1.256 10 0 ADAERN Nc1nc(NCc2ccsc2)n[nH]1 85420496 573020270 /nfs/dbraw/zinc/02/02/70/573020270.db2.gz BFSINQJLRGUPPB-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](Cc1ccoc1)NN 252990942 573024986 /nfs/dbraw/zinc/02/49/86/573024986.db2.gz BJRFIJKIYGPWHQ-JEZHCXPESA-N 0 0 180.251 1.310 10 0 ADAERN c1ccc2c(c1)Cn1nccc1N2 82400582 573023559 /nfs/dbraw/zinc/02/35/59/573023559.db2.gz JIMRUIKVNDGLQO-UHFFFAOYSA-N 0 0 171.203 1.988 10 0 ADAERN CCOC(=O)C/C=C/[C@H]1CCCO1 224452096 573023567 /nfs/dbraw/zinc/02/35/67/573023567.db2.gz AABSPIRUQLKGFY-SGRBOOSSSA-N 0 0 184.235 1.675 10 0 ADAERN CCc1occc1[C@](C)([NH3+])C(=O)[O-] 104575281 573023570 /nfs/dbraw/zinc/02/35/70/573023570.db2.gz HBRFIWXACMLGDV-VIFPVBQESA-N 0 0 183.207 1.101 10 0 ADAERN Nc1nsc(N[C@@H]2CC=CCC2)n1 85437278 573023582 /nfs/dbraw/zinc/02/35/82/573023582.db2.gz SIAUFCSKNPFCOK-ZCFIWIBFSA-N 0 0 196.279 1.641 10 0 ADAERN CCNc1cncc(N[C@H]2C[C@H]2C)n1 82403733 573023600 /nfs/dbraw/zinc/02/36/00/573023600.db2.gz ISGRHQMQSYOMKT-SFYZADRCSA-N 0 0 192.266 1.729 10 0 ADAERN CCNc1cncc(N[C@@H]2C[C@H]2C)n1 82403732 573023607 /nfs/dbraw/zinc/02/36/07/573023607.db2.gz ISGRHQMQSYOMKT-HTQZYQBOSA-N 0 0 192.266 1.729 10 0 ADAERN OC[C@H]1CCCn2c(C3CC3)nnc21 258227654 573023638 /nfs/dbraw/zinc/02/36/38/573023638.db2.gz LHCDKNCVFDYMGK-MRVPVSSYSA-N 0 0 193.250 1.025 10 0 ADAERN Cc1nc(C(C)(C)[NH3+])sc1N 82400386 573023646 /nfs/dbraw/zinc/02/36/46/573023646.db2.gz GQNMCRXLDCCYSW-UHFFFAOYSA-N 0 0 171.269 1.228 10 0 ADAERN Cc1ccncc1C1(O)CCOCC1 85440175 573023654 /nfs/dbraw/zinc/02/36/54/573023654.db2.gz CACHXLJHVQIAJV-UHFFFAOYSA-N 0 0 193.246 1.388 10 0 ADAERN C[C@H]1C=CCC(=O)[C@@]12CCCC2=O 238443403 573591380 /nfs/dbraw/zinc/59/13/80/573591380.db2.gz PXEHDDJPBFJFCA-GZMMTYOYSA-N 0 0 178.231 1.891 10 0 ADAERN C[C@H]1CCCN1c1nc(N)ns1 85437799 573024591 /nfs/dbraw/zinc/02/45/91/573024591.db2.gz SKHKSDRZZCTURH-YFKPBYRVSA-N 0 0 184.268 1.109 10 0 ADAERN CCCOC[C@H](O)C1=COCCC1 233230319 573591382 /nfs/dbraw/zinc/59/13/82/573591382.db2.gz UWLTUDRFPNOCQD-JTQLQIEISA-N 0 0 186.251 1.468 10 0 ADAERN CC(=O)c1cnc(C2CCOCC2)o1 258227706 573024608 /nfs/dbraw/zinc/02/46/08/573024608.db2.gz VLCMXLRTDWUJBJ-UHFFFAOYSA-N 0 0 195.218 1.771 10 0 ADAERN Cc1cc(N[C@H]2C[C@H]2C)nc(N)[nH+]1 82403779 573024617 /nfs/dbraw/zinc/02/46/17/573024617.db2.gz SNGGSDXLTADXKS-VDTYLAMSSA-N 0 0 178.239 1.188 10 0 ADAERN CCOC(=O)c1cc(C)nc(C)c1N 238254832 573024618 /nfs/dbraw/zinc/02/46/18/573024618.db2.gz SPYFPPPMGFBMDU-UHFFFAOYSA-N 0 0 194.234 1.457 10 0 ADAERN Cc1cc(N)nc2ncccc12 113685767 573024633 /nfs/dbraw/zinc/02/46/33/573024633.db2.gz IVLITUDTNZGTLU-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN C[NH2+][C@@H](O)c1cc(C)c(C)cc1OC 259596430 573024635 /nfs/dbraw/zinc/02/46/35/573024635.db2.gz XZBMZUUBCYPEBE-NSHDSACASA-N 0 0 195.262 1.522 10 0 ADAERN COCC(=O)N(C)CCCC(C)C 308478036 573024640 /nfs/dbraw/zinc/02/46/40/573024640.db2.gz MJZNTWQPQNPKLG-UHFFFAOYSA-N 0 0 187.283 1.527 10 0 ADAERN C[C@H]1Cc2ccsc2C(=O)N1 141738865 573024664 /nfs/dbraw/zinc/02/46/64/573024664.db2.gz GTMRQFLFVZADBL-YFKPBYRVSA-N 0 0 167.233 1.423 10 0 ADAERN CC1=Nc2ccccc2N[C@@H]1CO 113681419 573024712 /nfs/dbraw/zinc/02/47/12/573024712.db2.gz ZOHSFYGKSJBRLI-SNVBAGLBSA-N 0 0 176.219 1.565 10 0 ADAERN C[C@@H]1C(=O)[C@H]2C=CC[C@@H]12 113685901 573024714 /nfs/dbraw/zinc/02/47/14/573024714.db2.gz ZSWSIMGZYFIGJY-ACZMJKKPSA-N 0 0 122.167 1.398 10 0 ADAERN CC1(C)C(=O)N(F)C(C)(C)C1=O 238255177 573024715 /nfs/dbraw/zinc/02/47/15/573024715.db2.gz USYDRGGXCNVFOB-UHFFFAOYSA-N 0 0 173.187 1.087 10 0 ADAERN C[C@@H]1[C@H]([NH3+])CC[C@H](C(=O)[O-])C1(C)C 113685480 573024722 /nfs/dbraw/zinc/02/47/22/573024722.db2.gz CPBJINDRTMKJPR-BWZBUEFSSA-N 0 0 185.267 1.471 10 0 ADAERN CC(C)[C@H](C)OC(=O)[C@@H](N)CC1CC1 308478988 573024741 /nfs/dbraw/zinc/02/47/41/573024741.db2.gz MAQAZPZRWAWJJK-WPRPVWTQSA-N 0 0 199.294 1.702 10 0 ADAERN CCOc1c(C)cccc1NC(N)=O 238255398 573024748 /nfs/dbraw/zinc/02/47/48/573024748.db2.gz UKQPSHBHKZSGAP-UHFFFAOYSA-N 0 0 194.234 1.884 10 0 ADAERN CCCOc1cc(=S)[nH]cn1 238255751 573024759 /nfs/dbraw/zinc/02/47/59/573024759.db2.gz IAAKPTOJBYWYGQ-UHFFFAOYSA-N 0 0 170.237 1.928 10 0 ADAERN CC1(Nc2nc(N)ns2)CCCC1 85428019 573024763 /nfs/dbraw/zinc/02/47/63/573024763.db2.gz LOIXVNPKJWRDIC-UHFFFAOYSA-N 0 0 198.295 1.865 10 0 ADAERN CCOC(=O)c1cc(C)c(N)n1C 238254367 573024767 /nfs/dbraw/zinc/02/47/67/573024767.db2.gz GBIVZWJAGPNCES-UHFFFAOYSA-N 0 0 182.223 1.092 10 0 ADAERN CCCC[C@@H](C)N1CC(=O)N(C)C1 308228560 573024773 /nfs/dbraw/zinc/02/47/73/573024773.db2.gz NVIHGUXNCKQTFQ-SECBINFHSA-N 0 0 184.283 1.297 10 0 ADAERN CC(C)[C@@H](C)OC(=O)[C@@H](N)CC1CC1 308478987 573024798 /nfs/dbraw/zinc/02/47/98/573024798.db2.gz MAQAZPZRWAWJJK-SCZZXKLOSA-N 0 0 199.294 1.702 10 0 ADAERN Cc1cnc(-n2ccnc2C)c(N)c1 85426274 573024812 /nfs/dbraw/zinc/02/48/12/573024812.db2.gz RVAUYBAAUUCOMF-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CNOc1ccc(Cl)cc1 258063555 573591390 /nfs/dbraw/zinc/59/13/90/573591390.db2.gz VJMUAPIPFWVNAF-UHFFFAOYSA-N 0 0 157.600 1.853 10 0 ADAERN CC[N@@H+]1CC(C)=CC[C@H]1C(=O)[O-] 113689961 573024824 /nfs/dbraw/zinc/02/48/24/573024824.db2.gz MUOYEVPRMXUTOU-QMMMGPOBSA-N 0 0 169.224 1.112 10 0 ADAERN CC1(C)N=N[C@](C)(Cl)C1=O 238255789 573024827 /nfs/dbraw/zinc/02/48/27/573024827.db2.gz BJMKGWMZLXJUQC-LURJTMIESA-N 0 0 160.604 1.755 10 0 ADAERN CC1=C[C@H]2C=C(NN)SC2=C1 104572143 573024829 /nfs/dbraw/zinc/02/48/29/573024829.db2.gz GDUUAVWDQIYCPZ-LURJTMIESA-N 0 0 166.249 1.498 10 0 ADAERN COCCCC[C@H](NN)C(C)(C)C 308228415 573024832 /nfs/dbraw/zinc/02/48/32/573024832.db2.gz RRNZMSGWMGLWIE-VIFPVBQESA-N 0 0 188.315 1.681 10 0 ADAERN CC(=O)N[C@H](CC(C)(C)O)C(C)C 35962355 573024843 /nfs/dbraw/zinc/02/48/43/573024843.db2.gz UALUORHSCSEWJV-SECBINFHSA-N 0 0 187.283 1.308 10 0 ADAERN COCC(C)(C)N[C@H](C)C(F)(F)F 308405008 573591394 /nfs/dbraw/zinc/59/13/94/573591394.db2.gz JFKPMFVJHZRPSU-ZCFIWIBFSA-N 0 0 199.216 1.952 10 0 ADAERN C[C@@H](OC(=O)c1ccon1)C1CC1 308228785 573024850 /nfs/dbraw/zinc/02/48/50/573024850.db2.gz FWNXCYHSJPWNHV-ZCFIWIBFSA-N 0 0 181.191 1.630 10 0 ADAERN CCN(c1ncc(C)cc1N)C1CC1 85425201 573024865 /nfs/dbraw/zinc/02/48/65/573024865.db2.gz KHBSAQYQQXKJSV-UHFFFAOYSA-N 0 0 191.278 1.961 10 0 ADAERN Cc1ccncc1[C@@H](O)C1CC1 85440330 573027660 /nfs/dbraw/zinc/02/76/60/573027660.db2.gz DNFZXANRWSMOCA-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN CO/N=C(\C=O)c1cccc(C=O)c1 308404151 573591411 /nfs/dbraw/zinc/59/14/11/573591411.db2.gz ADMIEQLPNAGKSA-ZHACJKMWSA-N 0 0 191.186 1.049 10 0 ADAERN COC/C=C/C(=O)NCCCCF 308405266 573591419 /nfs/dbraw/zinc/59/14/19/573591419.db2.gz LFEMFXXAERIYNR-SNAWJCMRSA-N 0 0 189.230 1.055 10 0 ADAERN OCC/C=C\[C@@H]1CCCCO1 224449552 573025001 /nfs/dbraw/zinc/02/50/01/573025001.db2.gz FNWAIHZRMSCFJM-AMFUIUNQSA-N 0 0 156.225 1.494 10 0 ADAERN CCOC(=O)N[C@@H]1C[C@H]1C 82400139 573025003 /nfs/dbraw/zinc/02/50/03/573025003.db2.gz JSNYKUNXONNMFB-PHDIDXHHSA-N 0 0 143.186 1.141 10 0 ADAERN CN[C@@H](c1c[nH]cn1)C(F)(F)F 104574461 573025005 /nfs/dbraw/zinc/02/50/05/573025005.db2.gz NZWAIEUMWUDOIF-YFKPBYRVSA-N 0 0 179.145 1.233 10 0 ADAERN C[C@@H]([NH3+])Cc1sccc1C(=O)[O-] 141737236 573025020 /nfs/dbraw/zinc/02/50/20/573025020.db2.gz JGNMFOJNCNNIHG-RXMQYKEDSA-N 0 0 185.248 1.336 10 0 ADAERN CCOC1=CCC[C@@]1(C)CO 238254307 573025037 /nfs/dbraw/zinc/02/50/37/573025037.db2.gz VUKGKKKJHIFNGE-VIFPVBQESA-N 0 0 156.225 1.699 10 0 ADAERN CCOC1=CCC[C@]1(C)CO 238254348 573025043 /nfs/dbraw/zinc/02/50/43/573025043.db2.gz VUKGKKKJHIFNGE-SECBINFHSA-N 0 0 156.225 1.699 10 0 ADAERN CCO[C@H](O)c1ccccc1 113669708 573025072 /nfs/dbraw/zinc/02/50/72/573025072.db2.gz MIYVFUKMEAUKEM-VIFPVBQESA-N 0 0 152.193 1.714 10 0 ADAERN Cc1nnc(-c2ccc(N)nc2)o1 82398840 573025108 /nfs/dbraw/zinc/02/51/08/573025108.db2.gz VDFZBBJRFKTECE-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN C[C@H]1C[C@H]1Nc1cc(Cl)nc(N)n1 82403758 573025114 /nfs/dbraw/zinc/02/51/14/573025114.db2.gz ZKOSQCDQHNJFGM-CRCLSJGQSA-N 0 0 198.657 1.533 10 0 ADAERN C[C@H]([NH3+])Cc1ccsc1C(=O)[O-] 141739483 573025120 /nfs/dbraw/zinc/02/51/20/573025120.db2.gz ARDYLVNAMWXYSV-YFKPBYRVSA-N 0 0 185.248 1.336 10 0 ADAERN CCC[C@@H](O)CC1(O)CC1 238254916 573025124 /nfs/dbraw/zinc/02/51/24/573025124.db2.gz AWGNSIRUEQQWMH-SSDOTTSWSA-N 0 0 144.214 1.062 10 0 ADAERN CO[C@@H](/C=C(\C)CO)C(C)C 213935010 573025128 /nfs/dbraw/zinc/02/51/28/573025128.db2.gz ISQRFMBQIVBHGK-QRJSTWQJSA-N 0 0 158.241 1.596 10 0 ADAERN OCCC[C@@H]1CNc2ccccc21 113681623 573025132 /nfs/dbraw/zinc/02/51/32/573025132.db2.gz JMEDFABRECGTHB-SECBINFHSA-N 0 0 177.247 1.968 10 0 ADAERN Nc1cc(-c2ccc3n[nH]cc3c2)[nH]n1 258226908 573025138 /nfs/dbraw/zinc/02/51/38/573025138.db2.gz VOZGTZNNYIZKLI-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN C[C@]12CC(=O)N[C@H]1Cc1ccccc12 198648711 573025168 /nfs/dbraw/zinc/02/51/68/573025168.db2.gz HQOUPGAYCOCDPC-CMPLNLGQSA-N 0 0 187.242 1.389 10 0 ADAERN CCCN(C)c1ccc(OC)cn1 308229651 573025182 /nfs/dbraw/zinc/02/51/82/573025182.db2.gz OEMOEYIESRSYRL-UHFFFAOYSA-N 0 0 180.251 1.936 10 0 ADAERN CC1=C[C@H](O)[C@H](CCO)CC1 238254244 573025184 /nfs/dbraw/zinc/02/51/84/573025184.db2.gz CIIAGCLDIZNHMD-IUCAKERBSA-N 0 0 156.225 1.086 10 0 ADAERN CC/C=C\C(=O)N[C@@H]1CSC[C@H]1C 308227532 573026909 /nfs/dbraw/zinc/02/69/09/573026909.db2.gz NMDPBQKFZZKBDX-UVSMVFJQSA-N 0 0 199.319 1.820 10 0 ADAERN CCc1cccc([C@@H]([NH3+])C(=O)[O-])c1 104575425 573027143 /nfs/dbraw/zinc/02/71/43/573027143.db2.gz KHSQPHBGRLWQRP-SECBINFHSA-N 0 0 179.219 1.333 10 0 ADAERN CC[C@H]1CCCN1c1nc(N)ns1 85437795 573027158 /nfs/dbraw/zinc/02/71/58/573027158.db2.gz KYZQGGUBVHKMAB-LURJTMIESA-N 0 0 198.295 1.499 10 0 ADAERN Cc1cn(CCSC(C)C)nc1N 379365462 573027161 /nfs/dbraw/zinc/02/71/61/573027161.db2.gz JHJKECSZYOZKIK-UHFFFAOYSA-N 0 0 199.323 1.746 10 0 ADAERN C[C@@H]1Cc2cccc(C[NH3+])c2N1C 258229600 573027162 /nfs/dbraw/zinc/02/71/62/573027162.db2.gz WKVCGGSDZNKUCT-MRVPVSSYSA-N 0 0 176.263 1.526 10 0 ADAERN CC1=C[C@H](O)[C@](C)(Cl)C1 238254351 573027172 /nfs/dbraw/zinc/02/71/72/573027172.db2.gz MIMAVYWFHOCNLG-NKWVEPMBSA-N 0 0 146.617 1.695 10 0 ADAERN CCc1occc1[C@@H]1COCCN1 104575861 573027173 /nfs/dbraw/zinc/02/71/73/573027173.db2.gz LIIKQXNBMCNNOU-VIFPVBQESA-N 0 0 181.235 1.503 10 0 ADAERN OCc1cc([C@@H]2CCSC2)on1 259315728 573027179 /nfs/dbraw/zinc/02/71/79/573027179.db2.gz RPJLPCXCXHVWDT-ZCFIWIBFSA-N 0 0 185.248 1.387 10 0 ADAERN CCC[C@@H](O)Cn1ccc(=O)c(C)c1 308479146 573027200 /nfs/dbraw/zinc/02/72/00/573027200.db2.gz FYEUUHYAAODLSB-SNVBAGLBSA-N 0 0 195.262 1.318 10 0 ADAERN Cc1ccc(-c2ccc(=O)[nH]n2)cn1 141733713 573027201 /nfs/dbraw/zinc/02/72/01/573027201.db2.gz ZZVVJSSYWGQMTR-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN C[C@H](CO)c1ccc(F)c(N(C)C)c1 259316790 573027203 /nfs/dbraw/zinc/02/72/03/573027203.db2.gz DJNVIRURWIFDTD-MRVPVSSYSA-N 0 0 197.253 1.988 10 0 ADAERN CC[C@@H](C)Nc1nc(N)ns1 85427423 573027261 /nfs/dbraw/zinc/02/72/61/573027261.db2.gz CGFITOCNRJDVMK-SCSAIBSYSA-N 0 0 172.257 1.331 10 0 ADAERN C[C@@]12CC(=O)N[C@@H]1Cc1ccccc12 198648646 573027266 /nfs/dbraw/zinc/02/72/66/573027266.db2.gz HQOUPGAYCOCDPC-PWSUYJOCSA-N 0 0 187.242 1.389 10 0 ADAERN CCNC(=O)[C@]1(Cl)CCC[C@H]1C 238255852 573027282 /nfs/dbraw/zinc/02/72/82/573027282.db2.gz NNJWLCAUJKQRLW-APPZFPTMSA-N 0 0 189.686 1.920 10 0 ADAERN CC(C)C[C@H](C)C(=O)c1c[nH]nc1N 308477031 573027307 /nfs/dbraw/zinc/02/73/07/573027307.db2.gz LKORWAZXWHMAFW-ZETCQYMHSA-N 0 0 195.266 1.857 10 0 ADAERN CCc1nnnn1CCCCCF 308478027 573027349 /nfs/dbraw/zinc/02/73/49/573027349.db2.gz MJEOFLQXXSJMFF-UHFFFAOYSA-N 0 0 186.234 1.375 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2cc(F)ccc2O1 257924520 573027356 /nfs/dbraw/zinc/02/73/56/573027356.db2.gz CGYSFQDSPBHAJM-LDWIPMOCSA-N 0 0 182.194 1.510 10 0 ADAERN C[C@@](N)(F)C1=CCSCC1 258526571 573027357 /nfs/dbraw/zinc/02/73/57/573027357.db2.gz MXCDPVBZFDELHK-ZETCQYMHSA-N 0 0 161.245 1.694 10 0 ADAERN CCn1cc(CC(=O)C(C)(C)F)cn1 308477037 573027360 /nfs/dbraw/zinc/02/73/60/573027360.db2.gz KVGVPMOCMOYDIK-UHFFFAOYSA-N 0 0 198.241 1.763 10 0 ADAERN CCNc1cncc(N[C@@H]2C[C@@H]2C)n1 82403730 573027365 /nfs/dbraw/zinc/02/73/65/573027365.db2.gz ISGRHQMQSYOMKT-JGVFFNPUSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1nc(N)ns1 85438082 573027366 /nfs/dbraw/zinc/02/73/66/573027366.db2.gz RXBLDWCZGOFOBH-NTSWFWBYSA-N 0 0 198.295 1.213 10 0 ADAERN Cc1ccncc1C(C)(C)O 85440118 573027374 /nfs/dbraw/zinc/02/73/74/573027374.db2.gz TZSGRIOYPLUYLA-UHFFFAOYSA-N 0 0 151.209 1.617 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C(C2CC2)C1 257924555 573027395 /nfs/dbraw/zinc/02/73/95/573027395.db2.gz RWSGBRHHCACCSJ-UHFFFAOYSA-N 0 0 181.235 1.113 10 0 ADAERN C[C@@H]1CNc2cccc(N)c2NC1 259315709 573027404 /nfs/dbraw/zinc/02/74/04/573027404.db2.gz RPHROUDFJMTUJO-SSDOTTSWSA-N 0 0 177.251 1.742 10 0 ADAERN OCc1cc([C@H]2CCSC2)on1 259315725 573027412 /nfs/dbraw/zinc/02/74/12/573027412.db2.gz RPJLPCXCXHVWDT-LURJTMIESA-N 0 0 185.248 1.387 10 0 ADAERN C[C@H](O)[C@@H]1Cc2cc(F)ccc2O1 257924540 573027423 /nfs/dbraw/zinc/02/74/23/573027423.db2.gz CGYSFQDSPBHAJM-WKEGUHRASA-N 0 0 182.194 1.510 10 0 ADAERN Cc1cnc(SCCO)c(N)c1 85426658 573027431 /nfs/dbraw/zinc/02/74/31/573027431.db2.gz HEKITCDUUALDFI-UHFFFAOYSA-N 0 0 184.264 1.057 10 0 ADAERN CC(C)OC[C@]1(CO)CCO[C@@H]1C 308227821 573027443 /nfs/dbraw/zinc/02/74/43/573027443.db2.gz RNCGXHFYDNYTCX-NXEZZACHSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@@H]1CCCCN1c1nc(N)ns1 85437835 573027458 /nfs/dbraw/zinc/02/74/58/573027458.db2.gz UYFWJJDJLCXQME-ZCFIWIBFSA-N 0 0 198.295 1.499 10 0 ADAERN CCC[C@H]([NH3+])c1cnnn1CCC 128318061 573027463 /nfs/dbraw/zinc/02/74/63/573027463.db2.gz MZGRKDIYMPTUPT-QMMMGPOBSA-N 0 0 182.271 1.488 10 0 ADAERN Nc1nsc(NCCC2CC2)n1 85437266 573027481 /nfs/dbraw/zinc/02/74/81/573027481.db2.gz FFSXJWCCPHVAJJ-UHFFFAOYSA-N 0 0 184.268 1.332 10 0 ADAERN CC(C)CN(C)c1nc(N)ns1 85437923 573027494 /nfs/dbraw/zinc/02/74/94/573027494.db2.gz PBCREGGQGKAXHY-UHFFFAOYSA-N 0 0 186.284 1.213 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1nc(N)ns1 85428587 573027524 /nfs/dbraw/zinc/02/75/24/573027524.db2.gz VUBHTSCENWIDSS-WDSKDSINSA-N 0 0 198.295 1.721 10 0 ADAERN CC[C@H](O)/C=C/[C@H](C)[C@@H](O)C(C)C 308229608 573027545 /nfs/dbraw/zinc/02/75/45/573027545.db2.gz SGJAVLOMULRDAB-ZXGNUQQOSA-N 0 0 186.295 1.967 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1nc(N)ns1 85438085 573027552 /nfs/dbraw/zinc/02/75/52/573027552.db2.gz RXBLDWCZGOFOBH-WDSKDSINSA-N 0 0 198.295 1.213 10 0 ADAERN CC[C@@H](O)CCC[C@@H](C)O 113816818 573027565 /nfs/dbraw/zinc/02/75/65/573027565.db2.gz ONGUKKAIGDNAGC-HTQZYQBOSA-N 0 0 146.230 1.308 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](Cc1ccoc1)NN 252990943 573027568 /nfs/dbraw/zinc/02/75/68/573027568.db2.gz BJRFIJKIYGPWHQ-QNSHHTMESA-N 0 0 180.251 1.310 10 0 ADAERN NNc1nn2c(c1Cl)CCCC2 104572086 573027570 /nfs/dbraw/zinc/02/75/70/573027570.db2.gz ZIKKTKMRXMUVAP-UHFFFAOYSA-N 0 0 186.646 1.158 10 0 ADAERN CCCCCNC(=O)c1cc(N)on1 308479100 573027583 /nfs/dbraw/zinc/02/75/83/573027583.db2.gz LSZSQPJONGCAMC-UHFFFAOYSA-N 0 0 197.238 1.177 10 0 ADAERN Cc1cnc(N2CCC[C@H]2C)c(N)c1 85425398 573027613 /nfs/dbraw/zinc/02/76/13/573027613.db2.gz PAQPOMMRRUBWFA-SECBINFHSA-N 0 0 191.278 1.961 10 0 ADAERN OC[C@@H]1Cc2ccc(O)cc2C1 113717397 573027626 /nfs/dbraw/zinc/02/76/26/573027626.db2.gz CPIUBMODGJEIDO-SSDOTTSWSA-N 0 0 164.204 1.099 10 0 ADAERN Cc1oc(CO)nc1C1CC1 258526625 573027636 /nfs/dbraw/zinc/02/76/36/573027636.db2.gz MYRSCEHZMFNPRT-UHFFFAOYSA-N 0 0 153.181 1.353 10 0 ADAERN C[NH2+][C@H](O)c1cc(C)c(C)cc1OC 259596428 573024989 /nfs/dbraw/zinc/02/49/89/573024989.db2.gz XZBMZUUBCYPEBE-LLVKDONJSA-N 0 0 195.262 1.522 10 0 ADAERN NNc1ccc(-n2cccc2)cc1 104572212 573024991 /nfs/dbraw/zinc/02/49/91/573024991.db2.gz OZTBTYJQIYBYGL-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN c1cc2c(s1)CCN2 82411442 573028103 /nfs/dbraw/zinc/02/81/03/573028103.db2.gz BNBZRQLFQVVGBG-UHFFFAOYSA-N 0 0 125.196 1.716 10 0 ADAERN C[C@@H]1C/C(=C/C=C\C(=O)[O-])CC[N@@H+]1C 308476875 573028104 /nfs/dbraw/zinc/02/81/04/573028104.db2.gz UREAMNPAOYNDFV-QVDOTPAISA-N 0 0 195.262 1.668 10 0 ADAERN COC(=O)N1C=C[C@@]2(C)C=C[C@H]12 198659364 573028108 /nfs/dbraw/zinc/02/81/08/573028108.db2.gz YDHDOQFHOIOECZ-IONNQARKSA-N 0 0 165.192 1.527 10 0 ADAERN O=C1CC(C[C@H]2CCOC2)C1 113812308 573030009 /nfs/dbraw/zinc/03/00/09/573030009.db2.gz IDLJLZZSQSKQDV-SSDOTTSWSA-N 0 0 154.209 1.392 10 0 ADAERN COc1c(C=O)ccc2n[nH]cc12 259313677 573028109 /nfs/dbraw/zinc/02/81/09/573028109.db2.gz FMOOKYILPKODEG-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN CC[C@H](OC)C(=O)OCC1(F)CC1 308478197 573028147 /nfs/dbraw/zinc/02/81/47/573028147.db2.gz MNIFBZHXFXTBNY-ZETCQYMHSA-N 0 0 190.214 1.457 10 0 ADAERN Nc1cnoc1Cc1cccc(O)c1 259315613 573028156 /nfs/dbraw/zinc/02/81/56/573028156.db2.gz RNEPQTLFCDXQAQ-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN C[C@@H]1C[C@@]12CCc1ncc(C=O)n12 141742008 573028159 /nfs/dbraw/zinc/02/81/59/573028159.db2.gz PKSFQDSXJPJBJX-XCBNKYQSSA-N 0 0 176.219 1.377 10 0 ADAERN Cc1cnc(OCC2CC2)c(N)c1 85426405 573028205 /nfs/dbraw/zinc/02/82/05/573028205.db2.gz RDJHKNJJTOFIFS-UHFFFAOYSA-N 0 0 178.235 1.761 10 0 ADAERN COCCCC[C@@H](O)c1cn[nH]c1 379361068 573028210 /nfs/dbraw/zinc/02/82/10/573028210.db2.gz BYDADBXAPPUGMP-SECBINFHSA-N 0 0 184.239 1.260 10 0 ADAERN C[C@](N)(F)C1=CCSCC1 258526566 573028291 /nfs/dbraw/zinc/02/82/91/573028291.db2.gz MXCDPVBZFDELHK-SSDOTTSWSA-N 0 0 161.245 1.694 10 0 ADAERN CC1(C)CCn2c(C=O)cnc21 141738848 573028292 /nfs/dbraw/zinc/02/82/92/573028292.db2.gz KBLFZPBVRIRGEG-UHFFFAOYSA-N 0 0 164.208 1.377 10 0 ADAERN CCCn1ncnc1[C@@H](O)C(C)(C)C 308477677 573028393 /nfs/dbraw/zinc/02/83/93/573028393.db2.gz LRIOMDSTHBJKMS-MRVPVSSYSA-N 0 0 197.282 1.768 10 0 ADAERN O=Cc1cc(F)c2oncc2c1 259313703 573028493 /nfs/dbraw/zinc/02/84/93/573028493.db2.gz FNCCCRLBAMSKOT-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN C[C@H]1CCCC[C@@]1(C)C(N)=O 113721155 573028504 /nfs/dbraw/zinc/02/85/04/573028504.db2.gz VZGXGTZYIMAENV-IONNQARKSA-N 0 0 155.241 1.688 10 0 ADAERN CCCC(=O)OCCC(=O)C(C)C 308230287 573029966 /nfs/dbraw/zinc/02/99/66/573029966.db2.gz OLDHGYGIKJJGHX-UHFFFAOYSA-N 0 0 186.251 1.945 10 0 ADAERN C[C@@H]([NH3+])c1cccc(CC(=O)[O-])c1 104578642 573028580 /nfs/dbraw/zinc/02/85/80/573028580.db2.gz CXRLAVXIYPQDBV-SSDOTTSWSA-N 0 0 179.219 1.333 10 0 ADAERN C[C@H]1C[C@@]12CCc1ncc(C=O)n12 141742199 573028617 /nfs/dbraw/zinc/02/86/17/573028617.db2.gz PKSFQDSXJPJBJX-XVKPBYJWSA-N 0 0 176.219 1.377 10 0 ADAERN CCN1C[C@H](O)COc2ccccc21 238248147 573028620 /nfs/dbraw/zinc/02/86/20/573028620.db2.gz CPKLPAPXGUJVHS-VIFPVBQESA-N 0 0 193.246 1.266 10 0 ADAERN O=Cc1cnoc1[C@H]1CCCOC1 259315644 573028633 /nfs/dbraw/zinc/02/86/33/573028633.db2.gz RNRFPVWDUKZIJV-ZETCQYMHSA-N 0 0 181.191 1.381 10 0 ADAERN CSCC[C@H](O)c1ccccn1 259034305 573028636 /nfs/dbraw/zinc/02/86/36/573028636.db2.gz FAEXTTNKSPLOIV-VIFPVBQESA-N 0 0 183.276 1.868 10 0 ADAERN CC(C)n1c(Cl)cnc1CCO 258526560 573028711 /nfs/dbraw/zinc/02/87/11/573028711.db2.gz MCJHTIZBMYTMOI-UHFFFAOYSA-N 0 0 188.658 1.652 10 0 ADAERN CCC(=O)[C@@H]1CCCOCC1 82406309 573028726 /nfs/dbraw/zinc/02/87/26/573028726.db2.gz BPXSXDKBBWHMRL-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN CC1=C[C@@H](O)CC(C)(C)C[C@@H]1O 238248190 573028730 /nfs/dbraw/zinc/02/87/30/573028730.db2.gz RRVNDVLWFDGEHN-BDAKNGLRSA-N 0 0 170.252 1.475 10 0 ADAERN C[C@@H]1CCCC[C@]1(C)C(N)=O 113721157 573028742 /nfs/dbraw/zinc/02/87/42/573028742.db2.gz VZGXGTZYIMAENV-APPZFPTMSA-N 0 0 155.241 1.688 10 0 ADAERN CC(C)(CO)c1ccc(CON)cc1 259313580 573028760 /nfs/dbraw/zinc/02/87/60/573028760.db2.gz DIDJNONSOKOMAS-UHFFFAOYSA-N 0 0 195.262 1.347 10 0 ADAERN CSCC[C@@H](O)c1ccccn1 259034301 573028800 /nfs/dbraw/zinc/02/88/00/573028800.db2.gz FAEXTTNKSPLOIV-SECBINFHSA-N 0 0 183.276 1.868 10 0 ADAERN CCNC(=O)/N=c1/sccn1CC 238256230 573028802 /nfs/dbraw/zinc/02/88/02/573028802.db2.gz CDPTXSIXHSDOGJ-CSKARUKUSA-N 0 0 199.279 1.200 10 0 ADAERN CC(C)=C[C@@H](N)C(F)(F)F 104579668 573028805 /nfs/dbraw/zinc/02/88/05/573028805.db2.gz OJUMBMFNPYHZFV-RXMQYKEDSA-N 0 0 153.147 1.842 10 0 ADAERN Nc1c[nH]c(Br)c1 82405226 573028807 /nfs/dbraw/zinc/02/88/07/573028807.db2.gz FKTGHIQVBXPHMY-UHFFFAOYSA-N 0 0 161.002 1.359 10 0 ADAERN CC1=C(CO)C2(CCCCC2)OC1=O 238248373 573028808 /nfs/dbraw/zinc/02/88/08/573028808.db2.gz MTWUXLVKAFVMNB-UHFFFAOYSA-N 0 0 196.246 1.555 10 0 ADAERN COc1ccc(O)cc1[C@@H]1CC[NH2+]1 104577481 573028811 /nfs/dbraw/zinc/02/88/11/573028811.db2.gz IVYIOTOUQQHCKE-VIFPVBQESA-N 0 0 179.219 1.435 10 0 ADAERN CCNc1cncc(C(=O)OC)c1 238256457 573028817 /nfs/dbraw/zinc/02/88/17/573028817.db2.gz FGZQBFCSHBPLQE-UHFFFAOYSA-N 0 0 180.207 1.300 10 0 ADAERN CC1(C)N=Cc2ccccc2NC1=O 238248304 573028823 /nfs/dbraw/zinc/02/88/23/573028823.db2.gz QMXMCSNTOJXGQW-UHFFFAOYSA-N 0 0 188.230 1.836 10 0 ADAERN CC(C)(F)c1nnc(CNC2CC2)o1 308478466 573028836 /nfs/dbraw/zinc/02/88/36/573028836.db2.gz LKVUMOXYQHSGIH-UHFFFAOYSA-N 0 0 199.229 1.526 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1[C@@H](C)[NH3+] 104579930 573028846 /nfs/dbraw/zinc/02/88/46/573028846.db2.gz PYHLNBKUZFKWER-SSDOTTSWSA-N 0 0 179.219 1.713 10 0 ADAERN CCNc1nc(=O)c(C)cs1 238256795 573028858 /nfs/dbraw/zinc/02/88/58/573028858.db2.gz ZCBVCSGBJNCHGS-UHFFFAOYSA-N 0 0 170.237 1.244 10 0 ADAERN CC(=O)[C@@H](O)c1sccc1C 259315284 573028881 /nfs/dbraw/zinc/02/88/81/573028881.db2.gz XPMMIWXJQRCQKI-SSDOTTSWSA-N 0 0 170.233 1.679 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cc(O)ccc1N 104577663 573028894 /nfs/dbraw/zinc/02/88/94/573028894.db2.gz KZIDOCHCABXVNM-SNVBAGLBSA-N 0 0 180.251 1.630 10 0 ADAERN C[C@H]1CNc2cccc(N)c2NC1 259315712 573028917 /nfs/dbraw/zinc/02/89/17/573028917.db2.gz RPHROUDFJMTUJO-ZETCQYMHSA-N 0 0 177.251 1.742 10 0 ADAERN Cc1ccc([C@@H](C)CO)cc1N 259313460 573028945 /nfs/dbraw/zinc/02/89/45/573028945.db2.gz DFRSILMIHDMWOS-QMMMGPOBSA-N 0 0 165.236 1.673 10 0 ADAERN CCCC[C@]1(O)C=CCC[C@@H]1O 238256631 573028948 /nfs/dbraw/zinc/02/89/48/573028948.db2.gz FRJPOEFWKAMUNY-UWVGGRQHSA-N 0 0 170.252 1.619 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1[C@H](C)[NH3+] 104579932 573028958 /nfs/dbraw/zinc/02/89/58/573028958.db2.gz PYHLNBKUZFKWER-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN Cc1cccc2c1NC(=O)[C@H](C)CO2 259315486 573028984 /nfs/dbraw/zinc/02/89/84/573028984.db2.gz RLWMJMHSQFPBBH-MRVPVSSYSA-N 0 0 191.230 1.962 10 0 ADAERN CC1=C[C@](C)(CO)CC[C@H]1O 238256503 573028985 /nfs/dbraw/zinc/02/89/85/573028985.db2.gz YTMMELOBLHJXLZ-RKDXNWHRSA-N 0 0 156.225 1.086 10 0 ADAERN Cc1cc([C@H]([NH3+])[C@@H](C)O)cs1 104577898 573029021 /nfs/dbraw/zinc/02/90/21/573029021.db2.gz YOGDLSUADHMWQY-HTRCEHHLSA-N 0 0 171.265 1.437 10 0 ADAERN CCC1(C(=O)N(CCO)C2CC2)CC1 308478570 573029027 /nfs/dbraw/zinc/02/90/27/573029027.db2.gz FTOKFSICKQNFDF-UHFFFAOYSA-N 0 0 197.278 1.160 10 0 ADAERN Cc1cc([C@@H]([NH3+])[C@H](C)O)cs1 104577907 573029049 /nfs/dbraw/zinc/02/90/49/573029049.db2.gz YOGDLSUADHMWQY-XPUUQOCRSA-N 0 0 171.265 1.437 10 0 ADAERN CCCC[C@@]1(O)C(=O)CC=C1C 238256617 573029055 /nfs/dbraw/zinc/02/90/55/573029055.db2.gz CGDDHMUZTKZEGV-JTQLQIEISA-N 0 0 168.236 1.827 10 0 ADAERN CCNc1ccnc2c(C)c(C)nn12 238256113 573029074 /nfs/dbraw/zinc/02/90/74/573029074.db2.gz JAFIOUOIGHXSIN-UHFFFAOYSA-N 0 0 190.250 1.778 10 0 ADAERN CC[C@@H](OC)C(=O)OCC1(F)CC1 308478196 573029088 /nfs/dbraw/zinc/02/90/88/573029088.db2.gz MNIFBZHXFXTBNY-SSDOTTSWSA-N 0 0 190.214 1.457 10 0 ADAERN CCNC(=O)c1cc(F)cc(OC)c1 238256887 573029094 /nfs/dbraw/zinc/02/90/94/573029094.db2.gz KFDJDFYBYKRTDT-UHFFFAOYSA-N 0 0 197.209 1.584 10 0 ADAERN CC[C@H](O)[C@H](C)/C=C(\C)C(=O)OC 308229947 573029653 /nfs/dbraw/zinc/02/96/53/573029653.db2.gz SKRWWWOPFVJMNR-IQDDUSTRSA-N 0 0 186.251 1.513 10 0 ADAERN CCCCCC(=O)c1ncnn1C 308230741 573029688 /nfs/dbraw/zinc/02/96/88/573029688.db2.gz SRQSFEUTNQGDLY-UHFFFAOYSA-N 0 0 181.239 1.578 10 0 ADAERN CCCC[C@H]1OC(=O)NC(=O)C1(C)C 238248216 573029904 /nfs/dbraw/zinc/02/99/04/573029904.db2.gz OUJPPEXSMWLQTN-SSDOTTSWSA-N 0 0 199.250 1.838 10 0 ADAERN CC[C@@H]([NH3+])c1cccc(F)c1N 104577609 573029906 /nfs/dbraw/zinc/02/99/06/573029906.db2.gz JGAUOAJWDZOIMA-MRVPVSSYSA-N 0 0 168.215 1.818 10 0 ADAERN Cc1ccncc1C[C@H](C)CO 85443015 573029908 /nfs/dbraw/zinc/02/99/08/573029908.db2.gz VCSZLSHGBUQJRT-QMMMGPOBSA-N 0 0 165.236 1.561 10 0 ADAERN CCC[C@@H](C)C(=O)OCCN1CC1 308230308 573029944 /nfs/dbraw/zinc/02/99/44/573029944.db2.gz OLOKGVHUTMYYOI-SECBINFHSA-N 0 0 185.267 1.281 10 0 ADAERN Nc1ccc(O)cc1[C@H]([NH3+])C1CC1 104577672 573030017 /nfs/dbraw/zinc/03/00/17/573030017.db2.gz JPAXVADJKWKVST-SNVBAGLBSA-N 0 0 178.235 1.384 10 0 ADAERN [NH3+][C@H](CCO)c1ccccc1[S-] 104580069 573030036 /nfs/dbraw/zinc/03/00/36/573030036.db2.gz PAZZICQVOQKBRI-MRVPVSSYSA-N 0 0 183.276 1.358 10 0 ADAERN CC1=C[C@@H](O)C(C)(C)C1 238248078 573030049 /nfs/dbraw/zinc/03/00/49/573030049.db2.gz NVUPTTJEJBCTMZ-SSDOTTSWSA-N 0 0 126.199 1.724 10 0 ADAERN CCOC(=O)C1=CCn2cccc21 238248300 573030069 /nfs/dbraw/zinc/03/00/69/573030069.db2.gz DDLQYZAHPMVJPM-UHFFFAOYSA-N 0 0 177.203 1.448 10 0 ADAERN CCCCOC(=O)C[C@@H](C)CCO 308229990 573030077 /nfs/dbraw/zinc/03/00/77/573030077.db2.gz SLAKBACVTNMQAO-VIFPVBQESA-N 0 0 188.267 1.738 10 0 ADAERN CS[C@@]1(C)CCC(=O)C1 113745651 573030121 /nfs/dbraw/zinc/03/01/21/573030121.db2.gz JJXJVEHHWSIFAM-ZETCQYMHSA-N 0 0 144.239 1.861 10 0 ADAERN CCCC(=O)c1ncnn1C(C)C 308230557 573030123 /nfs/dbraw/zinc/03/01/23/573030123.db2.gz SOJCNYZMKLMVDC-UHFFFAOYSA-N 0 0 181.239 1.842 10 0 ADAERN C[C@@H]1[C@H](C(=O)OCCCF)C1(F)F 308230597 573030129 /nfs/dbraw/zinc/03/01/29/573030129.db2.gz GLVYDCDYNCHMLQ-PHDIDXHHSA-N 0 0 196.168 1.790 10 0 ADAERN CCCCS[C@@H](O)C(C)=O 238248099 573030182 /nfs/dbraw/zinc/03/01/82/573030182.db2.gz BGJUDKUNDGINOU-SSDOTTSWSA-N 0 0 162.254 1.427 10 0 ADAERN CC[C@@H](O)c1cnccc1C 85440384 573030183 /nfs/dbraw/zinc/03/01/83/573030183.db2.gz YQTINDJFSUVTGT-SECBINFHSA-N 0 0 151.209 1.833 10 0 ADAERN CC(C)C[C@@H](O)CCc1cnn(C)n1 308479308 573030201 /nfs/dbraw/zinc/03/02/01/573030201.db2.gz KTLYQDLXKBEVFH-JTQLQIEISA-N 0 0 197.282 1.155 10 0 ADAERN C[C@@H]1CCCC[C@@]1(C)C(N)=O 113721153 573030203 /nfs/dbraw/zinc/03/02/03/573030203.db2.gz VZGXGTZYIMAENV-VXNVDRBHSA-N 0 0 155.241 1.688 10 0 ADAERN COc1ccc2ccn(C)c2c1N 259597266 573030226 /nfs/dbraw/zinc/03/02/26/573030226.db2.gz YWHVHRUKJCZCOM-UHFFFAOYSA-N 0 0 176.219 1.769 10 0 ADAERN CCOC1[C@H](C)C(O)[C@H]1C 238256417 573030233 /nfs/dbraw/zinc/03/02/33/573030233.db2.gz JVZVUUFIPSIDKG-INFAEJQFSA-N 0 0 144.214 1.038 10 0 ADAERN CC(C)C[C@H](O)CCc1cnn(C)n1 308479311 573030235 /nfs/dbraw/zinc/03/02/35/573030235.db2.gz KTLYQDLXKBEVFH-SNVBAGLBSA-N 0 0 197.282 1.155 10 0 ADAERN CCC[C@@H]1CC(=O)[C@@H]2O[C@@H]2C1 238248040 573030249 /nfs/dbraw/zinc/03/02/49/573030249.db2.gz YLSLAHAXRFWASW-VDAHYXPESA-N 0 0 154.209 1.533 10 0 ADAERN COC(=O)N1C=C[C@]2(C)C=C[C@H]12 198659350 573030256 /nfs/dbraw/zinc/03/02/56/573030256.db2.gz YDHDOQFHOIOECZ-CBAPKCEASA-N 0 0 165.192 1.527 10 0 ADAERN CCCNC1=CC(=S)NC[C@H]1C 238248436 573030261 /nfs/dbraw/zinc/03/02/61/573030261.db2.gz VIQNSQKCXPDANE-SSDOTTSWSA-N 0 0 184.308 1.437 10 0 ADAERN C[C@@]1(CCc2ccc[nH]2)COC(=O)N1 113710831 573030298 /nfs/dbraw/zinc/03/02/98/573030298.db2.gz CKTHSSXFUFDXLZ-SNVBAGLBSA-N 0 0 194.234 1.446 10 0 ADAERN CC1=C[C@@H](O)CC(C)(C)O1 238248213 573030302 /nfs/dbraw/zinc/03/03/02/573030302.db2.gz CTYWUVZSGLUZEK-SSDOTTSWSA-N 0 0 142.198 1.450 10 0 ADAERN CCCNC1=CC(=S)NC(C)(C)C1 238248406 573030312 /nfs/dbraw/zinc/03/03/12/573030312.db2.gz ZYCCQNKMVYJJNY-UHFFFAOYSA-N 0 0 198.335 1.969 10 0 ADAERN CC/C=C/C(=O)NOC1CCCC1 308230367 573030335 /nfs/dbraw/zinc/03/03/35/573030335.db2.gz ONLBJYOZUTVOFC-FPYGCLRLSA-N 0 0 183.251 1.943 10 0 ADAERN CC[C@H](O)[C@@H](/C=C/CO)CC(C)C 308232373 573030352 /nfs/dbraw/zinc/03/03/52/573030352.db2.gz UEQXEFDTBITNJC-PZIAFJOJSA-N 0 0 186.295 1.968 10 0 ADAERN Cc1cccnc1NC[C@H](O)C1CC1 82425174 573030359 /nfs/dbraw/zinc/03/03/59/573030359.db2.gz IOBKDCOHSQBHRT-JTQLQIEISA-N 0 0 192.262 1.573 10 0 ADAERN CCOCC(=O)c1cnccc1C 85440948 573030404 /nfs/dbraw/zinc/03/04/04/573030404.db2.gz QRKODLGTMRJQST-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN COc1ccc2c(c1)C[C@H](CO)C2 113719547 573030425 /nfs/dbraw/zinc/03/04/25/573030425.db2.gz CNDYJQPSBZAOTQ-MRVPVSSYSA-N 0 0 178.231 1.402 10 0 ADAERN CC1(C)NC(=O)C[C@@]2(C)CC[C@H]12 238256181 573030433 /nfs/dbraw/zinc/03/04/33/573030433.db2.gz WXRMMBFALWZZRX-GMSGAONNSA-N 0 0 167.252 1.701 10 0 ADAERN CC1(C)NC(=O)C=C1Br 238256064 573030440 /nfs/dbraw/zinc/03/04/40/573030440.db2.gz YVUVPFNTUZKLHW-UHFFFAOYSA-N 0 0 190.040 1.174 10 0 ADAERN C[C@H]1[C@H](C(=O)OCCCF)C1(F)F 308230589 573030453 /nfs/dbraw/zinc/03/04/53/573030453.db2.gz GLVYDCDYNCHMLQ-NTSWFWBYSA-N 0 0 196.168 1.790 10 0 ADAERN C[C@H]1CNc2ccc(N)cc2C1 82404782 573030461 /nfs/dbraw/zinc/03/04/61/573030461.db2.gz CAGWTZXLDSIZKO-SSDOTTSWSA-N 0 0 162.236 1.873 10 0 ADAERN CCO[C@H]1C[C@H]1C(=O)c1nccn1C 689914815 573031644 /nfs/dbraw/zinc/03/16/44/573031644.db2.gz FFPUVXVOVZNVRJ-SFYZADRCSA-N 0 0 194.234 1.028 10 0 ADAERN CCC[C@@H](O)[C@H](O)Cc1cccnc1 233299245 573031646 /nfs/dbraw/zinc/03/16/46/573031646.db2.gz RLVVDBQJZWCWFX-GHMZBOCLSA-N 0 0 195.262 1.146 10 0 ADAERN CCn1cnc2c(N)nc(Cl)nc21 45253773 573031661 /nfs/dbraw/zinc/03/16/61/573031661.db2.gz BNDFRDOCFOFUTK-UHFFFAOYSA-N 0 0 197.629 1.082 10 0 ADAERN CC(C)(C)c1ccc([C@H](N)NN)cc1 259134468 573592008 /nfs/dbraw/zinc/59/20/08/573592008.db2.gz AXTYPDBWNSNFIY-SNVBAGLBSA-N 0 0 193.294 1.405 10 0 ADAERN C[C@@H](CO)c1cccc2c1CCN2 257931681 573031672 /nfs/dbraw/zinc/03/16/72/573031672.db2.gz PURFCAHVNSLJOZ-QMMMGPOBSA-N 0 0 177.247 1.750 10 0 ADAERN C[C@@]1(CO)Cc2cccc(F)c2N1 258063467 573592015 /nfs/dbraw/zinc/59/20/15/573592015.db2.gz GLCHJEZKZZIOJY-JTQLQIEISA-N 0 0 181.210 1.545 10 0 ADAERN CC1CCC(c2nc(N)n[nH]2)CC1 123467503 573031779 /nfs/dbraw/zinc/03/17/79/573031779.db2.gz CIEKLYFSFHEBCN-UHFFFAOYSA-N 0 0 180.255 1.681 10 0 ADAERN Cc1c[nH]c(=S)c(N)c1 82410179 573031790 /nfs/dbraw/zinc/03/17/90/573031790.db2.gz PLROYIVGVKRFCW-UHFFFAOYSA-N 0 0 140.211 1.635 10 0 ADAERN CC1(C)CC(=O)C[C@@H](OC(N)=O)C1 238249669 573035117 /nfs/dbraw/zinc/03/51/17/573035117.db2.gz MJJKRIMYQAMANH-SSDOTTSWSA-N 0 0 185.223 1.230 10 0 ADAERN C[NH2+][C@H](C1CCCCC1)[C@H](C)C(=O)[O-] 259315870 573035234 /nfs/dbraw/zinc/03/52/34/573035234.db2.gz JMNXRNURIWNWJN-WPRPVWTQSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2[C@@H]1COC2(C)C 238443521 573592025 /nfs/dbraw/zinc/59/20/25/573592025.db2.gz KHSADXPNCZUISN-XLPZGREQSA-N 0 0 168.236 1.637 10 0 ADAERN CCSCc1n[nH]cc1N 257925987 573035239 /nfs/dbraw/zinc/03/52/39/573035239.db2.gz OIGKUPJMGKNGLL-UHFFFAOYSA-N 0 0 157.242 1.245 10 0 ADAERN CC1(C)NC(=O)[C@]2(CC=CCC2)O1 238249462 573035279 /nfs/dbraw/zinc/03/52/79/573035279.db2.gz VVJQZIHTKQHKNW-SNVBAGLBSA-N 0 0 181.235 1.348 10 0 ADAERN C[C@@H](ON)[C@H]1CCCS1 259316442 573035284 /nfs/dbraw/zinc/03/52/84/573035284.db2.gz CJZYZPGCDNUNOW-PHDIDXHHSA-N 0 0 147.243 1.161 10 0 ADAERN CCOCC[C@@H](NN)c1cccnc1 128423469 573035291 /nfs/dbraw/zinc/03/52/91/573035291.db2.gz NTBSZFBOURAHJM-SNVBAGLBSA-N 0 0 195.266 1.013 10 0 ADAERN CC(C)SC(=O)c1cncc(N)n1 257926014 573035295 /nfs/dbraw/zinc/03/52/95/573035295.db2.gz OJLDQLOGLVZRLN-UHFFFAOYSA-N 0 0 197.263 1.341 10 0 ADAERN Cc1noc(NC[C@@H]2CCO[C@H]2C)n1 235443616 573035367 /nfs/dbraw/zinc/03/53/67/573035367.db2.gz LPUNHRDAFBTPOJ-XPUUQOCRSA-N 0 0 197.238 1.215 10 0 ADAERN CC[C@H]1CNC(=O)N(C2CC2)C(=O)C1 87982479 573036886 /nfs/dbraw/zinc/03/68/86/573036886.db2.gz DNEISPIICMFZOS-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1cnoc1C1CC1 107186489 573037833 /nfs/dbraw/zinc/03/78/33/573037833.db2.gz XGXDIJNWNHVWIL-SSDOTTSWSA-N 0 0 196.206 1.027 10 0 ADAERN CC(C)Cc1cnncc1N 257925559 573037836 /nfs/dbraw/zinc/03/78/36/573037836.db2.gz KGNKETHFWCBJIX-UHFFFAOYSA-N 0 0 151.213 1.257 10 0 ADAERN CNc1ncc(C)c(C(C)C)n1 82445121 573037857 /nfs/dbraw/zinc/03/78/57/573037857.db2.gz UKEVMRMBHNRTHW-UHFFFAOYSA-N 0 0 165.240 1.950 10 0 ADAERN CC[C@H](O)[C@@H](C)c1ccncc1 82444338 573037890 /nfs/dbraw/zinc/03/78/90/573037890.db2.gz ZTZUDMHNPMTDHX-WPRPVWTQSA-N 0 0 165.236 1.956 10 0 ADAERN Cc1ccc(C(=O)CON)cc1 77010289 573037957 /nfs/dbraw/zinc/03/79/57/573037957.db2.gz UEZHZMYLUKZNPX-UHFFFAOYSA-N 0 0 165.192 1.068 10 0 ADAERN Fc1cccc([C@@H]2CCON2)c1 258472674 573037960 /nfs/dbraw/zinc/03/79/60/573037960.db2.gz IKNKGPWKQPKNGH-VIFPVBQESA-N 0 0 167.183 1.792 10 0 ADAERN C[C@@H](O)c1nc(-c2ccncc2)no1 82430343 573038035 /nfs/dbraw/zinc/03/80/35/573038035.db2.gz NINDOBJJYPZHFO-ZCFIWIBFSA-N 0 0 191.190 1.185 10 0 ADAERN Cc1ccc(-c2coc(N)n2)cc1N 259518863 573592048 /nfs/dbraw/zinc/59/20/48/573592048.db2.gz ADAAIXVWFMOCPB-UHFFFAOYSA-N 0 0 189.218 1.814 10 0 ADAERN CC[C@@H](Nc1cc(N)ncn1)C(C)C 82426691 573038079 /nfs/dbraw/zinc/03/80/79/573038079.db2.gz FUGXIFFQHDLELI-MRVPVSSYSA-N 0 0 194.282 1.905 10 0 ADAERN CCc1ncnc(NC)c1C 82443416 573038305 /nfs/dbraw/zinc/03/83/05/573038305.db2.gz ZMPPJNMGSSHMLC-UHFFFAOYSA-N 0 0 151.213 1.389 10 0 ADAERN CC[C@H](C)c1ccnc(N)n1 82442041 573039471 /nfs/dbraw/zinc/03/94/71/573039471.db2.gz FHHWWCKGCFKWNQ-LURJTMIESA-N 0 0 151.213 1.572 10 0 ADAERN C[C@@H]1CNc2cccc(O)c2N1 259135294 573592055 /nfs/dbraw/zinc/59/20/55/573592055.db2.gz GXAPJQKURUNWGA-ZCFIWIBFSA-N 0 0 164.208 1.618 10 0 ADAERN C[C@H](O)Cc1nc(-c2ccco2)no1 82430490 573039551 /nfs/dbraw/zinc/03/95/51/573039551.db2.gz ADVWWCXGFJPBGN-LURJTMIESA-N 0 0 194.190 1.253 10 0 ADAERN CC[C@@H]1CNC(=O)N(C(C)C)C(=O)C1 87982482 573039552 /nfs/dbraw/zinc/03/95/52/573039552.db2.gz ZQFPDWKBMVAILB-QMMMGPOBSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)[C@H](C)[C@@H](NN)c1cccnc1 128419693 573039553 /nfs/dbraw/zinc/03/95/53/573039553.db2.gz GMBALNYTSUVVBS-GXSJLCMTSA-N 0 0 193.294 1.878 10 0 ADAERN COC[C@H]1CNc2cc(C)ccc2N1 88002013 573040233 /nfs/dbraw/zinc/04/02/33/573040233.db2.gz PUDIULRHSZDQRQ-SECBINFHSA-N 0 0 192.262 1.847 10 0 ADAERN C[C@H]1C[C@@]1(C)C[NH+]1CC(C(=O)[O-])C1 714620843 573040234 /nfs/dbraw/zinc/04/02/34/573040234.db2.gz KCVNAYFBUXIUSM-XVKPBYJWSA-N 0 0 183.251 1.049 10 0 ADAERN CCn1ncc(COC(C)C)c1N 257927630 573040369 /nfs/dbraw/zinc/04/03/69/573040369.db2.gz OOIVQCOIMKESAE-UHFFFAOYSA-N 0 0 183.255 1.410 10 0 ADAERN CC(=O)N[C@H](C)c1ccc(C=O)cc1 144476293 573592092 /nfs/dbraw/zinc/59/20/92/573592092.db2.gz RTBQJGDNZCOTEA-MRVPVSSYSA-N 0 0 191.230 1.696 10 0 ADAERN COC(=O)Cc1ccc(CC2CC2)[nH]1 259597731 573030013 /nfs/dbraw/zinc/03/00/13/573030013.db2.gz CLIHYQFLJYSJPK-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN O[C@H](c1ccco1)[C@H]1CCOC1 82456683 573051797 /nfs/dbraw/zinc/05/17/97/573051797.db2.gz AMEQMSSSXPEKPB-CBAPKCEASA-N 0 0 168.192 1.350 10 0 ADAERN CCN1C[C@@H](c2ccc(C)o2)NC1=O 259599238 573051800 /nfs/dbraw/zinc/05/18/00/573051800.db2.gz WOSJRWVETANDQX-QMMMGPOBSA-N 0 0 194.234 1.674 10 0 ADAERN Cn1cc([C@H]2CCCCC[NH2+]2)nn1 88040148 573051803 /nfs/dbraw/zinc/05/18/03/573051803.db2.gz SXISLRYWACVVEE-MRVPVSSYSA-N 0 0 180.255 1.020 10 0 ADAERN C=COC[C@H]1CCCO1 85503374 573051804 /nfs/dbraw/zinc/05/18/04/573051804.db2.gz UIUSRIAANRCPGF-SSDOTTSWSA-N 0 0 128.171 1.326 10 0 ADAERN O[C@H](Cc1ccccn1)[C@@H]1CCOC1 82456573 573051805 /nfs/dbraw/zinc/05/18/05/573051805.db2.gz BDFWMRXGRMMBGJ-MWLCHTKSSA-N 0 0 193.246 1.022 10 0 ADAERN N[C@H]1O[C@H]1c1ccccc1 104595487 573051808 /nfs/dbraw/zinc/05/18/08/573051808.db2.gz DXSFQMIDJCBXKO-YUMQZZPRSA-N 0 0 135.166 1.043 10 0 ADAERN CCn1nc2ccc(C=O)cc2n1 114057346 573051826 /nfs/dbraw/zinc/05/18/26/573051826.db2.gz VZIQPKICSCGUDA-UHFFFAOYSA-N 0 0 175.191 1.264 10 0 ADAERN CCCCN1C(=N)SCC1=O 77098352 573051829 /nfs/dbraw/zinc/05/18/29/573051829.db2.gz ZXHXTYROGQCFQK-UHFFFAOYSA-N 0 0 172.253 1.297 10 0 ADAERN CCO[C@@H](C)CNC(=O)C(C)(C)F 308238390 573051832 /nfs/dbraw/zinc/05/18/32/573051832.db2.gz XBTGUBXVHRLNLY-ZETCQYMHSA-N 0 0 191.246 1.276 10 0 ADAERN CCn1c(=O)[nH]c2cccc(C)c21 257936473 573051838 /nfs/dbraw/zinc/05/18/38/573051838.db2.gz QAUJTAQUSHRVHD-UHFFFAOYSA-N 0 0 176.219 1.658 10 0 ADAERN CCOCCC(=O)OCC[C@H](C)F 308249122 573051839 /nfs/dbraw/zinc/05/18/39/573051839.db2.gz ASENESVPTXDKGW-QMMMGPOBSA-N 0 0 192.230 1.704 10 0 ADAERN Nc1ccc(S[C@H]2CCOC2)nc1 82456089 573051840 /nfs/dbraw/zinc/05/18/40/573051840.db2.gz IBSGRUCPQYRWIQ-QMMMGPOBSA-N 0 0 196.275 1.545 10 0 ADAERN CO[C@@H]1CC(=O)C12CCCC2 85504456 573051842 /nfs/dbraw/zinc/05/18/42/573051842.db2.gz XYXQTHMABYYPHU-MRVPVSSYSA-N 0 0 154.209 1.535 10 0 ADAERN O[C@H](c1cccnc1)[C@@H]1CCOC1 82456545 573051846 /nfs/dbraw/zinc/05/18/46/573051846.db2.gz KJHYJCWKLJXXQY-NXEZZACHSA-N 0 0 179.219 1.152 10 0 ADAERN O[C@H]1CCCCSC1 114019334 573051848 /nfs/dbraw/zinc/05/18/48/573051848.db2.gz LCVICOLXCLJYIQ-LURJTMIESA-N 0 0 132.228 1.264 10 0 ADAERN CC1(C)C(=O)C[C@@H]1OC[C@H]1CCCO1 85505040 573051853 /nfs/dbraw/zinc/05/18/53/573051853.db2.gz CDLTUVUGPWGECF-SCZZXKLOSA-N 0 0 198.262 1.550 10 0 ADAERN CO[C@H]1CC(=O)C1(C)C 85504484 573051859 /nfs/dbraw/zinc/05/18/59/573051859.db2.gz OJYREKZWVYDWKO-LURJTMIESA-N 0 0 128.171 1.000 10 0 ADAERN O[C@@H](c1ccncc1)[C@H]1CCOC1 82456550 573051864 /nfs/dbraw/zinc/05/18/64/573051864.db2.gz ASKDDNXSJZLLBI-UWVGGRQHSA-N 0 0 179.219 1.152 10 0 ADAERN [NH3+][C@@H](CC[C@H]1C[C@@H]1C1CC1)C(=O)[O-] 714806025 573051873 /nfs/dbraw/zinc/05/18/73/573051873.db2.gz BGDVGENNZGVMHP-YIZRAAEISA-N 0 0 183.251 1.225 10 0 ADAERN O[C@@H](c1ccccc1F)[C@@H]1CCOC1 82456712 573051896 /nfs/dbraw/zinc/05/18/96/573051896.db2.gz OJJLGDNPVSRZSI-LDYMZIIASA-N 0 0 196.221 1.896 10 0 ADAERN O[C@H](c1ccco1)[C@@H]1CCOC1 82456681 573051927 /nfs/dbraw/zinc/05/19/27/573051927.db2.gz AMEQMSSSXPEKPB-APPZFPTMSA-N 0 0 168.192 1.350 10 0 ADAERN C[C@@H](OC(=O)c1cn[nH]c1)C1CC1 308249305 573051933 /nfs/dbraw/zinc/05/19/33/573051933.db2.gz GVJFVESQFRTUHO-ZCFIWIBFSA-N 0 0 180.207 1.365 10 0 ADAERN CC(C)[C@](C)(O)[C@H]1CCOC1 82456210 573051935 /nfs/dbraw/zinc/05/19/35/573051935.db2.gz YHXRAMSYIACSQB-IUCAKERBSA-N 0 0 158.241 1.430 10 0 ADAERN O=C(C[C@H]1CCCO1)[C@@H]1CCOC1 82456434 573051942 /nfs/dbraw/zinc/05/19/42/573051942.db2.gz JFLNXUXPUWQXRW-RKDXNWHRSA-N 0 0 184.235 1.161 10 0 ADAERN [NH3+]C1(c2nnc3ccccn23)CCC1 88049075 573047410 /nfs/dbraw/zinc/04/74/10/573047410.db2.gz VMQDGJGXVPLCOV-UHFFFAOYSA-N 0 0 188.234 1.067 10 0 ADAERN CCOC(=O)CN(C)c1ccc[nH]1 259034516 573047457 /nfs/dbraw/zinc/04/74/57/573047457.db2.gz IJCUSYQQWHKSDW-UHFFFAOYSA-N 0 0 182.223 1.014 10 0 ADAERN OC[C@H]1CCNc2ccc(O)cc21 257936088 573047460 /nfs/dbraw/zinc/04/74/60/573047460.db2.gz UIKXTMSVGVZTKG-SSDOTTSWSA-N 0 0 179.219 1.284 10 0 ADAERN COc1cc(N)cc(C[S@](C)=O)c1 88042448 573047465 /nfs/dbraw/zinc/04/74/65/573047465.db2.gz MZCXZLDEGOUKFH-CYBMUJFWSA-N 0 0 199.275 1.156 10 0 ADAERN CC[C@H](C)OC(=O)[C@H]1CC[C@H](C)O1 308247736 573047610 /nfs/dbraw/zinc/04/76/10/573047610.db2.gz YCEKBNIOBXSWHN-XHNCKOQMSA-N 0 0 186.251 1.896 10 0 ADAERN Nc1ccccc1[C@H]1CNC(=O)OC1 257833798 573593872 /nfs/dbraw/zinc/59/38/72/573593872.db2.gz KFCDONWQAVISDU-ZETCQYMHSA-N 0 0 192.218 1.092 10 0 ADAERN O=C1NCCCN1[C@H]1C[C@H]1C1CC1 717081866 573050870 /nfs/dbraw/zinc/05/08/70/573050870.db2.gz LOIRQLGGTGWMEB-IUCAKERBSA-N 0 0 180.251 1.200 10 0 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/nfs/dbraw/zinc/06/33/44/573063344.db2.gz IQFYWNDCWRIPGS-UHFFFAOYSA-N 0 0 162.192 1.602 10 0 ADAERN CCNC(=S)c1ccc(OC)cc1 238264439 573063375 /nfs/dbraw/zinc/06/33/75/573063375.db2.gz NKZUYEXKIJZFLI-UHFFFAOYSA-N 0 0 195.287 1.980 10 0 ADAERN C[C@H](O)c1csc(CCCO)n1 257940235 573063381 /nfs/dbraw/zinc/06/33/81/573063381.db2.gz FHELTUUSPSEEEB-LURJTMIESA-N 0 0 187.264 1.121 10 0 ADAERN C[C@H]1CC[C@@H](C)CC(=O)N1 104603713 573063389 /nfs/dbraw/zinc/06/33/89/573063389.db2.gz YIDWADMWOOTGER-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN CC[C@]1(C)OC(=O)N[C@@H]1C 104602473 573063400 /nfs/dbraw/zinc/06/34/00/573063400.db2.gz BHNVDWXBKXSBSG-VDTYLAMSSA-N 0 0 143.186 1.283 10 0 ADAERN CC(C)[C@@H]1C=CCC(=O)N1 104604419 573063407 /nfs/dbraw/zinc/06/34/07/573063407.db2.gz VQQIKFKZWCEQMM-ZETCQYMHSA-N 0 0 139.198 1.087 10 0 ADAERN C[C@@H](CCCO)[C@H]1COC(C)(C)O1 308243130 573063408 /nfs/dbraw/zinc/06/34/08/573063408.db2.gz ZXSJRLDNCYKIRD-DTWKUNHWSA-N 0 0 188.267 1.547 10 0 ADAERN COC[S@](=O)c1ccc(N)cc1C 88064080 573063413 /nfs/dbraw/zinc/06/34/13/573063413.db2.gz ZUMONJGSICNCDD-CYBMUJFWSA-N 0 0 199.275 1.289 10 0 ADAERN COC[S@](=O)c1cccc(N)c1C 88066126 573063421 /nfs/dbraw/zinc/06/34/21/573063421.db2.gz YKMTYTGNLNVLAP-CYBMUJFWSA-N 0 0 199.275 1.289 10 0 ADAERN CC[C@@]1(C)OC(=O)N[C@@H]1C 104602469 573063424 /nfs/dbraw/zinc/06/34/24/573063424.db2.gz BHNVDWXBKXSBSG-IYSWYEEDSA-N 0 0 143.186 1.283 10 0 ADAERN CC/C=C/C(=O)NC1(C(F)F)CC1 308244194 573063514 /nfs/dbraw/zinc/06/35/14/573063514.db2.gz UHNCWAQTQHNAQX-ONEGZZNKSA-N 0 0 189.205 1.867 10 0 ADAERN CCNC(=S)[C@H]1CCCCC1=O 238264236 573065468 /nfs/dbraw/zinc/06/54/68/573065468.db2.gz BQZCLFRLAHABDE-ZETCQYMHSA-N 0 0 185.292 1.683 10 0 ADAERN CCO[C@@H]1CC[C@@H](C)[C@@H]1O 238264192 573065735 /nfs/dbraw/zinc/06/57/35/573065735.db2.gz RADHFGDYPLRHND-PRJMDXOYSA-N 0 0 144.214 1.182 10 0 ADAERN CCO[C@@H]1CC[C@H](C)[C@@H]1O 238264562 573065740 /nfs/dbraw/zinc/06/57/40/573065740.db2.gz RADHFGDYPLRHND-RNJXMRFFSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@H]1Cc2cccnc2N1 104609177 573068024 /nfs/dbraw/zinc/06/80/24/573068024.db2.gz SCJQWBGAYVOHBK-QMMMGPOBSA-N 0 0 148.209 1.828 10 0 ADAERN COc1cc(C)c(C)cc1C(N)N 259135772 573595250 /nfs/dbraw/zinc/59/52/50/573595250.db2.gz CPJIBLKKIGPJOW-UHFFFAOYSA-N 0 0 180.251 1.228 10 0 ADAERN Cc1cccc2c1OCC[C@@]2(C)O 238455640 573595268 /nfs/dbraw/zinc/59/52/68/573595268.db2.gz BCRPDNSSEWSLRU-LLVKDONJSA-N 0 0 178.231 1.985 10 0 ADAERN CC(C)(CO)COC1CC1 88099896 573068225 /nfs/dbraw/zinc/06/82/25/573068225.db2.gz ZBDQNIKCGIEJJB-UHFFFAOYSA-N 0 0 144.214 1.184 10 0 ADAERN CC[C@H]1CNC(=O)[C@@H]1CC 104608372 573068228 /nfs/dbraw/zinc/06/82/28/573068228.db2.gz VCTFZFKNGXNHII-NKWVEPMBSA-N 0 0 141.214 1.169 10 0 ADAERN O=Cc1cccn1Cc1ccno1 85580299 573081278 /nfs/dbraw/zinc/08/12/78/573081278.db2.gz YDFMKGUZFGLCTK-UHFFFAOYSA-N 0 0 176.175 1.337 10 0 ADAERN CC(=O)Nc1ccsc1CO 85572906 573081288 /nfs/dbraw/zinc/08/12/88/573081288.db2.gz NFCIPZUFLGDKIX-UHFFFAOYSA-N 0 0 171.221 1.199 10 0 ADAERN OCCc1coc([C@@H]2CCCOC2)n1 257940193 573081299 /nfs/dbraw/zinc/08/12/99/573081299.db2.gz FGQSQGVVBVFKLC-MRVPVSSYSA-N 0 0 197.234 1.103 10 0 ADAERN Cc1ccc([C@@H](O)[C@H]2CCOC2)nc1 88136105 573081311 /nfs/dbraw/zinc/08/13/11/573081311.db2.gz HBDUEEYTWGLSRJ-ONGXEEELSA-N 0 0 193.246 1.460 10 0 ADAERN Cn1cncc1Cn1cccc1C=O 85580487 573081321 /nfs/dbraw/zinc/08/13/21/573081321.db2.gz IFSUJMKEILRLGO-UHFFFAOYSA-N 0 0 189.218 1.082 10 0 ADAERN Cc1ccc([C@H](O)[C@@H]2CCOC2)nc1 88136098 573081334 /nfs/dbraw/zinc/08/13/34/573081334.db2.gz HBDUEEYTWGLSRJ-MWLCHTKSSA-N 0 0 193.246 1.460 10 0 ADAERN O=C1N=NC([C@H]2Cc3ccccc32)O1 85577989 573081348 /nfs/dbraw/zinc/08/13/48/573081348.db2.gz ASZMFSFAJXKMAC-QMMMGPOBSA-N 0 0 188.186 1.463 10 0 ADAERN Nc1nnc([C@H]2Cc3ccccc32)o1 85577089 573081361 /nfs/dbraw/zinc/08/13/61/573081361.db2.gz OARSXCHHXOMNQH-QMMMGPOBSA-N 0 0 187.202 1.340 10 0 ADAERN C/C=C/COC(=O)CCC[C@H](C)O 308251655 573081381 /nfs/dbraw/zinc/08/13/81/573081381.db2.gz BJYLKUCZFNUJHT-NWALNABHSA-N 0 0 186.251 1.657 10 0 ADAERN C[C@@H]1CCN(c2ccncc2C[NH3+])C1 88115128 573069071 /nfs/dbraw/zinc/06/90/71/573069071.db2.gz WSYROBHYHACEOD-SECBINFHSA-N 0 0 191.278 1.387 10 0 ADAERN C=Cc1ccc(C)[nH]c1=O 209756511 573069075 /nfs/dbraw/zinc/06/90/75/573069075.db2.gz YRISBSAHDGEZPK-UHFFFAOYSA-N 0 0 135.166 1.326 10 0 ADAERN Nc1cnoc1C[C@@H]1CCCSC1 259321952 573069084 /nfs/dbraw/zinc/06/90/84/573069084.db2.gz RXNQDUBEJCTTLI-ZETCQYMHSA-N 0 0 198.291 1.943 10 0 ADAERN CC[C@H](NC(=O)[C@H](C)O)C(C)(C)C 308245202 573069086 /nfs/dbraw/zinc/06/90/86/573069086.db2.gz VBFQXVZSBPJEPW-YUMQZZPRSA-N 0 0 187.283 1.308 10 0 ADAERN CCNc1cc(C)[nH+]cc1C(=O)[O-] 88109641 573069092 /nfs/dbraw/zinc/06/90/92/573069092.db2.gz MSOVCPGFZLTTBX-UHFFFAOYSA-N 0 0 180.207 1.520 10 0 ADAERN CCOc1ncnc(NC2CC2)c1N 82488246 573069116 /nfs/dbraw/zinc/06/91/16/573069116.db2.gz GNHOTWAZDBLLMB-UHFFFAOYSA-N 0 0 194.238 1.032 10 0 ADAERN O=C(C[C@H]1CCOC1)OC1CCC1 308245912 573069154 /nfs/dbraw/zinc/06/91/54/573069154.db2.gz VRFQKAQLHNLYKN-MRVPVSSYSA-N 0 0 184.235 1.509 10 0 ADAERN CCCc1nn(CC2CC2)c(=O)o1 308246118 573069174 /nfs/dbraw/zinc/06/91/74/573069174.db2.gz VXNKPDHPINCKIN-UHFFFAOYSA-N 0 0 182.223 1.199 10 0 ADAERN C[C@H]1CCC(=O)N[C@@H](C)C1 104611174 573069204 /nfs/dbraw/zinc/06/92/04/573069204.db2.gz WIEGQHLPPOJGGN-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN c1cc2c(cc1NC1COC1)CCC2 82487874 573069207 /nfs/dbraw/zinc/06/92/07/573069207.db2.gz FMFJLFRQZNJPGH-UHFFFAOYSA-N 0 0 189.258 1.986 10 0 ADAERN CC[C@@H]1NC(=O)CC12CCC2 88120818 573069208 /nfs/dbraw/zinc/06/92/08/573069208.db2.gz UGIBFBTVMQTVMU-ZETCQYMHSA-N 0 0 153.225 1.455 10 0 ADAERN Cc1cc(-n2ccnc2)c(CO)c[nH+]1 88110361 573069224 /nfs/dbraw/zinc/06/92/24/573069224.db2.gz IIESDAWUBYMCPI-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CN(C)/C(Cl)=C/Cl 114243059 573069236 /nfs/dbraw/zinc/06/92/36/573069236.db2.gz FMYIILMTUIASQZ-ONEGZZNKSA-N 0 0 140.013 1.825 10 0 ADAERN CCCCO[C@H](C)C(=O)OC1CC1 308247009 573069239 /nfs/dbraw/zinc/06/92/39/573069239.db2.gz WXXBRFIPHYVJAD-MRVPVSSYSA-N 0 0 186.251 1.897 10 0 ADAERN NN=c1s[nH]c2ccccc12 85536012 573069240 /nfs/dbraw/zinc/06/92/40/573069240.db2.gz GJQVREZVFPQXNZ-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN C[NH2+][C@H](C1CCC1)[C@H]1C[C@H]1C(=O)[O-] 259321394 573069261 /nfs/dbraw/zinc/06/92/61/573069261.db2.gz JRVFABAWZBMOKO-DJLDLDEBSA-N 0 0 183.251 1.095 10 0 ADAERN CC1(C)CCNC(=S)O1 104611181 573069262 /nfs/dbraw/zinc/06/92/62/573069262.db2.gz SXKSXPMXJWXOCK-UHFFFAOYSA-N 0 0 145.227 1.060 10 0 ADAERN Nc1cccc(CCc2c[nH]cn2)c1 143921485 573072099 /nfs/dbraw/zinc/07/20/99/573072099.db2.gz ZYLZZHYDFIWKGO-UHFFFAOYSA-N 0 0 187.246 1.777 10 0 ADAERN CCC[C@@H]1CCC[C@H](O)O1 238268632 573072109 /nfs/dbraw/zinc/07/21/09/573072109.db2.gz MNGKKXNULWENEQ-HTQZYQBOSA-N 0 0 144.214 1.674 10 0 ADAERN CC[C@@H]1C(=O)[C@@H]2CC=C[C@@H]12 238268662 573072117 /nfs/dbraw/zinc/07/21/17/573072117.db2.gz SUVNQKZNKYCGLK-BIIVOSGPSA-N 0 0 136.194 1.788 10 0 ADAERN C/C=C/COC(=O)C[C@@H](C)COC 308253710 573072132 /nfs/dbraw/zinc/07/21/32/573072132.db2.gz HJMUKHXVUJPEFZ-XNPJLODASA-N 0 0 186.251 1.778 10 0 ADAERN c1ccc(Oc2cn[nH]c2)nc1 258476351 573081399 /nfs/dbraw/zinc/08/13/99/573081399.db2.gz LDSGASAXGGVNQR-UHFFFAOYSA-N 0 0 161.164 1.597 10 0 ADAERN CCOc1cc(NC(C)=O)ccn1 238269091 573072147 /nfs/dbraw/zinc/07/21/47/573072147.db2.gz QJCNFYIXHNAXOE-UHFFFAOYSA-N 0 0 180.207 1.439 10 0 ADAERN COc1ccc(NC2COC2)cc1F 82487996 573072148 /nfs/dbraw/zinc/07/21/48/573072148.db2.gz PVHIBIVCGBRQQZ-UHFFFAOYSA-N 0 0 197.209 1.645 10 0 ADAERN CCC[C@@H]1C[C@@H](C)C(=O)N1 104615330 573072167 /nfs/dbraw/zinc/07/21/67/573072167.db2.gz IIONUXNYEFURRB-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN CC[NH2+][C@H]1CC=C(C(=O)[O-])CC1 238267744 573072188 /nfs/dbraw/zinc/07/21/88/573072188.db2.gz PQYZLVUPHQUYGT-QMMMGPOBSA-N 0 0 169.224 1.159 10 0 ADAERN CC[C@@H](CO)C(=O)N(C)[C@@H](C)CC 308253669 573072196 /nfs/dbraw/zinc/07/21/96/573072196.db2.gz CPONDPNTTUKQNG-IUCAKERBSA-N 0 0 187.283 1.262 10 0 ADAERN CSCCC(=O)N[C@@H]1C[C@H]1C1CC1 308250458 573072202 /nfs/dbraw/zinc/07/22/02/573072202.db2.gz BIFRGSLHVKSQAY-DTWKUNHWSA-N 0 0 199.319 1.654 10 0 ADAERN CC(C)(C)Cc1noc(CCO)n1 257939752 573072231 /nfs/dbraw/zinc/07/22/31/573072231.db2.gz HWDUVBVYYNGCRM-UHFFFAOYSA-N 0 0 184.239 1.193 10 0 ADAERN CCC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)O2 85540737 573072238 /nfs/dbraw/zinc/07/22/38/573072238.db2.gz IYJHURHKFMVZRZ-BBBLOLIVSA-N 0 0 197.278 1.217 10 0 ADAERN CCCc1c(OC)nc(=O)[nH]c1C 238268762 573072243 /nfs/dbraw/zinc/07/22/43/573072243.db2.gz NCYVWDDPBMXADG-UHFFFAOYSA-N 0 0 182.223 1.039 10 0 ADAERN CC[C@@]1(C)CC[C@@H](C(C)=O)O1 238268382 573072253 /nfs/dbraw/zinc/07/22/53/573072253.db2.gz YZYTVHCTDUDOIA-IUCAKERBSA-N 0 0 156.225 1.923 10 0 ADAERN CCC[C@@H]1C[C@H](C)C(=O)N1 104615324 573072257 /nfs/dbraw/zinc/07/22/57/573072257.db2.gz IIONUXNYEFURRB-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN CCCOc1ncnc2cc[nH]c12 238268067 573072260 /nfs/dbraw/zinc/07/22/60/573072260.db2.gz GUOMSTRRPAOQRQ-UHFFFAOYSA-N 0 0 177.207 1.747 10 0 ADAERN CC(C)[C@H](CO)C(=O)C(C)(C)C 259035271 573072265 /nfs/dbraw/zinc/07/22/65/573072265.db2.gz CAASSMFWCGCDDH-QMMMGPOBSA-N 0 0 172.268 1.866 10 0 ADAERN O[C@H]1CCC[C@@H]2C[C@H](O)CC[C@H]12 143927662 573072271 /nfs/dbraw/zinc/07/22/71/573072271.db2.gz SDXXIJKVQADFED-IMSYWVGJSA-N 0 0 170.252 1.308 10 0 ADAERN C/C=C/CCNC(=O)COC(F)F 308250614 573072311 /nfs/dbraw/zinc/07/23/11/573072311.db2.gz AXCCSEKXSFZCDV-NSCUHMNNSA-N 0 0 193.193 1.308 10 0 ADAERN CC[C@@H]([NH3+])c1c(N)cccc1C(=O)[O-] 238268888 573072316 /nfs/dbraw/zinc/07/23/16/573072316.db2.gz MYUNYXCQBSGKEM-SSDOTTSWSA-N 0 0 194.234 1.377 10 0 ADAERN C[C@H](F)CCn1cc(CCO)cn1 308253887 573072331 /nfs/dbraw/zinc/07/23/31/573072331.db2.gz JGHVGNGOEISMCH-QMMMGPOBSA-N 0 0 186.230 1.166 10 0 ADAERN Cc1cnnc(NC[C@@H](C)[NH+](C)C)c1 235456954 573072338 /nfs/dbraw/zinc/07/23/38/573072338.db2.gz NDEVBTWVDHUCHC-SECBINFHSA-N 0 0 194.282 1.147 10 0 ADAERN CCNc1nc(C)c(C)o1 104612057 573072351 /nfs/dbraw/zinc/07/23/51/573072351.db2.gz HQGAINLODBZSAG-UHFFFAOYSA-N 0 0 140.186 1.723 10 0 ADAERN CCCN(CC)C(=O)c1ccno1 308247241 573072353 /nfs/dbraw/zinc/07/23/53/573072353.db2.gz XHFLWPKLXDCDLB-UHFFFAOYSA-N 0 0 182.223 1.547 10 0 ADAERN c1cncc(OCO[C@H]2CCOC2)c1 308489156 573072359 /nfs/dbraw/zinc/07/23/59/573072359.db2.gz PPFDHCMKZYMWGG-JTQLQIEISA-N 0 0 195.218 1.223 10 0 ADAERN CCCCc1nc(N)c(N)c(=S)[nH]1 238267795 573072366 /nfs/dbraw/zinc/07/23/66/573072366.db2.gz GIZWQXUGEZMKLR-UHFFFAOYSA-N 0 0 198.295 1.646 10 0 ADAERN COc1cc(C)c(C[NH3+])c(OC)c1 141894551 573072380 /nfs/dbraw/zinc/07/23/80/573072380.db2.gz FUIBXSICWUYEBU-UHFFFAOYSA-N 0 0 181.235 1.471 10 0 ADAERN CC=CCC[NH2+]Cc1[nH]ncc1C 308251020 573081411 /nfs/dbraw/zinc/08/14/11/573081411.db2.gz BAFUUCRRLKWSOG-ONEGZZNKSA-N 0 0 179.267 1.774 10 0 ADAERN CNC(C)(C)c1nnc(SC)o1 259323518 573081412 /nfs/dbraw/zinc/08/14/12/573081412.db2.gz WUCFQWHUQLSOAQ-UHFFFAOYSA-N 0 0 187.268 1.246 10 0 ADAERN Nc1ccccc1CNc1cn[nH]c1 85573121 573081415 /nfs/dbraw/zinc/08/14/15/573081415.db2.gz SNULNONPOKHKOJ-UHFFFAOYSA-N 0 0 188.234 1.604 10 0 ADAERN Fc1cncc(N[C@H]2C[C@H]2C2CC2)n1 717105653 573081422 /nfs/dbraw/zinc/08/14/22/573081422.db2.gz CSAPVGFYSBFAKK-YUMQZZPRSA-N 0 0 193.225 1.826 10 0 ADAERN O=Cc1ccn(Cc2cscn2)c1 85580613 573080238 /nfs/dbraw/zinc/08/02/38/573080238.db2.gz RJESERVONAZPOD-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN Cc1ccc(/C=C/CO)nc1 88135644 573081429 /nfs/dbraw/zinc/08/14/29/573081429.db2.gz UDEVVTYGWWRYLI-NSCUHMNNSA-N 0 0 149.193 1.396 10 0 ADAERN Cc1ccc(CNc2cn[nH]c2)nc1 88134996 573080324 /nfs/dbraw/zinc/08/03/24/573080324.db2.gz BLCGFHPEZPVHNR-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2ccc[nH]2)O1 88140754 573081434 /nfs/dbraw/zinc/08/14/34/573081434.db2.gz IXFMPHQXEGBSLX-VXNVDRBHSA-N 0 0 179.219 1.765 10 0 ADAERN CCCc1ncc(C[C@@H](C)O)o1 258231987 573081435 /nfs/dbraw/zinc/08/14/35/573081435.db2.gz VREOSCLKONNSSX-SSDOTTSWSA-N 0 0 169.224 1.550 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)Cc2ncc[nH]2)O1 88140697 573081440 /nfs/dbraw/zinc/08/14/40/573081440.db2.gz IHWGWZQPQQWGNH-CBAPKCEASA-N 0 0 194.234 1.089 10 0 ADAERN CC=CCC[NH2+]Cc1[nH]ncc1C 308251019 573081119 /nfs/dbraw/zinc/08/11/19/573081119.db2.gz BAFUUCRRLKWSOG-ARJAWSKDSA-N 0 0 179.267 1.774 10 0 ADAERN CC[C@@H]1C(=O)C[C@H]2CC(=O)C[C@H]12 238269920 573081121 /nfs/dbraw/zinc/08/11/21/573081121.db2.gz IEPRUMSZVGNJMP-YEPSODPASA-N 0 0 166.220 1.581 10 0 ADAERN CC[C@H]1[NH2+]CCCC[C@H]1CC(=O)[O-] 238270722 573081129 /nfs/dbraw/zinc/08/11/29/573081129.db2.gz KZZKNKDDTAMUHL-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN CCOc1cc(O)cc(O)c1C=O 238270522 573081136 /nfs/dbraw/zinc/08/11/36/573081136.db2.gz UEOLDUZSFQTUCP-UHFFFAOYSA-N 0 0 182.175 1.309 10 0 ADAERN c1ccc2c(c1)C[C@H]2Cn1cncn1 85576833 573081153 /nfs/dbraw/zinc/08/11/53/573081153.db2.gz FNHGIJZEIJEKER-JTQLQIEISA-N 0 0 185.230 1.618 10 0 ADAERN COC(=O)CCCn1ccc(C=O)c1 85580854 573081164 /nfs/dbraw/zinc/08/11/64/573081164.db2.gz KINXCBLUPVPUGT-UHFFFAOYSA-N 0 0 195.218 1.254 10 0 ADAERN CC/C=C\C(=O)NC[C@H](O)C(C)C 308490976 573081189 /nfs/dbraw/zinc/08/11/89/573081189.db2.gz RDCUEIGYHWSMHV-UDIARPCQSA-N 0 0 185.267 1.086 10 0 ADAERN Cc1cc(Cl)cc(C(=O)NC#N)c1 88139731 573081220 /nfs/dbraw/zinc/08/12/20/573081220.db2.gz HCGGLGZZBBEFFO-UHFFFAOYSA-N 0 0 194.621 1.859 10 0 ADAERN O=Cc1ccn(Cc2ncccn2)c1 85580968 573081226 /nfs/dbraw/zinc/08/12/26/573081226.db2.gz LNRTXEOPIBKIBL-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN COCCC1CCC(=O)CC1 114478976 573081237 /nfs/dbraw/zinc/08/12/37/573081237.db2.gz QJAUBDPDAVKZGI-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN CO[C@H](C)C[C@@H](O)c1c(C)cnn1C 308491656 573081239 /nfs/dbraw/zinc/08/12/39/573081239.db2.gz RBCFNVZCJUODHM-RKDXNWHRSA-N 0 0 198.266 1.187 10 0 ADAERN C/C=C\CCNC(=O)c1cnoc1 308251982 573081257 /nfs/dbraw/zinc/08/12/57/573081257.db2.gz BRNSTSIETBMKSQ-IHWYPQMZSA-N 0 0 180.207 1.371 10 0 ADAERN C[C@H]1CC[C@H](C(=O)Cc2ncc[nH]2)O1 88140695 573081261 /nfs/dbraw/zinc/08/12/61/573081261.db2.gz IHWGWZQPQQWGNH-IONNQARKSA-N 0 0 194.234 1.089 10 0 ADAERN CC(C)n1ncnc1[C@@H](C)C[C@H](C)O 308491614 573081263 /nfs/dbraw/zinc/08/12/63/573081263.db2.gz QZVZUKRNFURPSY-IUCAKERBSA-N 0 0 197.282 1.733 10 0 ADAERN C=CNC(=O)CCCC 104626556 573087989 /nfs/dbraw/zinc/08/79/89/573087989.db2.gz RXLDPCKXDHZZQC-UHFFFAOYSA-N 0 0 127.187 1.436 10 0 ADAERN COC(=O)COc1c(C)cccc1N 128629265 573087994 /nfs/dbraw/zinc/08/79/94/573087994.db2.gz ASRHKXXWSRBCON-UHFFFAOYSA-N 0 0 195.218 1.129 10 0 ADAERN N#CN[C@@H]1C[C@@H]2CC[C@H]1C2 104624313 573088012 /nfs/dbraw/zinc/08/80/12/573088012.db2.gz KPCHMDQRQSMTEU-GJMOJQLCSA-N 0 0 136.198 1.246 10 0 ADAERN OCc1ccn(Cc2ccccn2)c1 85589306 573088074 /nfs/dbraw/zinc/08/80/74/573088074.db2.gz QFGKAHYXADGMAP-UHFFFAOYSA-N 0 0 188.230 1.424 10 0 ADAERN CC(=O)N[C@@H]1C=C(C)CC1 104625938 573088078 /nfs/dbraw/zinc/08/80/78/573088078.db2.gz OXPPOVZZJCMFPI-QMMMGPOBSA-N 0 0 139.198 1.231 10 0 ADAERN CCSc1c[nH]cn1 104627037 573088084 /nfs/dbraw/zinc/08/80/84/573088084.db2.gz DDGHKTZKLFGHCL-UHFFFAOYSA-N 0 0 128.200 1.522 10 0 ADAERN CO[C@@H](C)COC(=O)/C=C/C1CC1 308260740 573088089 /nfs/dbraw/zinc/08/80/89/573088089.db2.gz MHCGDJYWZNSPMP-GJIOHYHPSA-N 0 0 184.235 1.531 10 0 ADAERN OCNc1cccc(F)c1 104625836 573088097 /nfs/dbraw/zinc/08/80/97/573088097.db2.gz FCJZHUZTSSADGC-UHFFFAOYSA-N 0 0 141.145 1.187 10 0 ADAERN COc1nc[nH]c1C(C)C 104627174 573088101 /nfs/dbraw/zinc/08/81/01/573088101.db2.gz CLAOTHQBCQQAGL-UHFFFAOYSA-N 0 0 140.186 1.542 10 0 ADAERN CCC[C@@H]1C[C@H](O)S1 238275769 573088109 /nfs/dbraw/zinc/08/81/09/573088109.db2.gz FQPUVHIQSSZZDO-PHDIDXHHSA-N 0 0 132.228 1.610 10 0 ADAERN CCN(C)c1ccc(N)c(OC)c1 82523463 573088111 /nfs/dbraw/zinc/08/81/11/573088111.db2.gz LMCFUAYVICCWND-UHFFFAOYSA-N 0 0 180.251 1.734 10 0 ADAERN NC(=S)c1cc(F)ccc1O 82522724 573088132 /nfs/dbraw/zinc/08/81/32/573088132.db2.gz SGQHEPCVYZUXRK-UHFFFAOYSA-N 0 0 171.196 1.166 10 0 ADAERN C/C=C/Cn1ccc(CO)c1 85588721 573088134 /nfs/dbraw/zinc/08/81/34/573088134.db2.gz LTQPFUCVBZDPIV-NSCUHMNNSA-N 0 0 151.209 1.557 10 0 ADAERN CNC(=S)C=C(C)C 104625868 573088157 /nfs/dbraw/zinc/08/81/57/573088157.db2.gz BQMONGKNRAVEBA-UHFFFAOYSA-N 0 0 129.228 1.499 10 0 ADAERN CCOC(=O)c1cncc(O)c1C 238275504 573088182 /nfs/dbraw/zinc/08/81/82/573088182.db2.gz XEIJDGAYPAIFKN-UHFFFAOYSA-N 0 0 181.191 1.272 10 0 ADAERN CC/C=C/NC(=O)OCC 104627801 573088220 /nfs/dbraw/zinc/08/82/20/573088220.db2.gz BQBGSBKBPKCHNP-AATRIKPKSA-N 0 0 143.186 1.656 10 0 ADAERN OCc1ccn(Cc2cscn2)c1 85589335 573088231 /nfs/dbraw/zinc/08/82/31/573088231.db2.gz FNHGMUFTYSSWIT-UHFFFAOYSA-N 0 0 194.259 1.485 10 0 ADAERN CCn1ccc(CNc2cn[nH]c2)c1 85605414 573088237 /nfs/dbraw/zinc/08/82/37/573088237.db2.gz OOZQLCFDQFGKJX-UHFFFAOYSA-N 0 0 190.250 1.843 10 0 ADAERN CCOCOc1c(C)cccc1N 128629739 573088247 /nfs/dbraw/zinc/08/82/47/573088247.db2.gz PZHASWJWUYYIPK-UHFFFAOYSA-N 0 0 181.235 1.950 10 0 ADAERN CC(=O)[C@H](O)c1ccc2[nH]cnc2c1 259325655 573088262 /nfs/dbraw/zinc/08/82/62/573088262.db2.gz YFDFPDRCWUKNEK-JTQLQIEISA-N 0 0 190.202 1.185 10 0 ADAERN CCCCn1c(C)c(C)[nH]c1=O 238275462 573088268 /nfs/dbraw/zinc/08/82/68/573088268.db2.gz DZQQOVOCXKIVGY-UHFFFAOYSA-N 0 0 168.240 1.593 10 0 ADAERN C/C(=C(\[NH3+])C(=O)[O-])c1ccccc1 308259024 573088332 /nfs/dbraw/zinc/08/83/32/573088332.db2.gz DLLRJATWKBZXIM-VQHVLOKHSA-N 0 0 177.203 1.461 10 0 ADAERN CC[C@@H]1NC(=O)N[C@@H]1c1cccs1 224822885 573088335 /nfs/dbraw/zinc/08/83/35/573088335.db2.gz GPMQMPOPIRCCEW-XPUUQOCRSA-N 0 0 196.275 1.881 10 0 ADAERN CC[C@@]1(CC(=O)[O-])CCC[NH2+]C1 238275749 573088349 /nfs/dbraw/zinc/08/83/49/573088349.db2.gz QHYBBJOJVMQQSX-VIFPVBQESA-N 0 0 171.240 1.241 10 0 ADAERN C/C=C/[C@@H](C)NC(=O)OC 104627668 573088351 /nfs/dbraw/zinc/08/83/51/573088351.db2.gz XYUFORGLVIOBNJ-BMMSZFGTSA-N 0 0 143.186 1.307 10 0 ADAERN CCC[C@@H]1C[C@H](O)[C@@H]([C@@H](C)O)C1 238275836 573088361 /nfs/dbraw/zinc/08/83/61/573088361.db2.gz MZPCESSCEGKFPJ-RGOKHQFPSA-N 0 0 172.268 1.554 10 0 ADAERN Cc1[nH]ccc(=S)c1O 104626825 573088365 /nfs/dbraw/zinc/08/83/65/573088365.db2.gz UAIBMQAQMPXBGQ-UHFFFAOYSA-N 0 0 141.195 1.758 10 0 ADAERN Cc1ccc(C)n1[C@@H]1CCC(=O)NC1 82516198 573088367 /nfs/dbraw/zinc/08/83/67/573088367.db2.gz DQAAFABPMJUSSW-SNVBAGLBSA-N 0 0 192.262 1.556 10 0 ADAERN CC[C@H](C)NC(=S)N(C)CC 238275575 573088374 /nfs/dbraw/zinc/08/83/74/573088374.db2.gz NWMDQQMNETYLPC-ZETCQYMHSA-N 0 0 174.313 1.611 10 0 ADAERN C[C@H]1CCCNC1=S 104625034 573088382 /nfs/dbraw/zinc/08/83/82/573088382.db2.gz VAPBEZOZQSOAFL-YFKPBYRVSA-N 0 0 129.228 1.333 10 0 ADAERN CC(C)[C@@H](O)CC(=O)OCC1CC1 308259536 573088412 /nfs/dbraw/zinc/08/84/12/573088412.db2.gz MRJKWNFPFSNDAI-VIFPVBQESA-N 0 0 186.251 1.347 10 0 ADAERN CC(C)CC(=O)[C@@H]1CCCO1 83710686 573596887 /nfs/dbraw/zinc/59/68/87/573596887.db2.gz QWXZWCISODGLKN-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN O[C@H]1CCC[C@@H]1Cn1cccc1 123595396 573088453 /nfs/dbraw/zinc/08/84/53/573088453.db2.gz WRJOFMXEUDWEQB-ZJUUUORDSA-N 0 0 165.236 1.649 10 0 ADAERN Cc1ccc([C@H]2C[C@@H]2CO)nc1 88158171 573089900 /nfs/dbraw/zinc/08/99/00/573089900.db2.gz AZNTYSNEGQNUTQ-BDAKNGLRSA-N 0 0 163.220 1.486 10 0 ADAERN CC1=CC(=O)NC[C@@H](C)C1 104627694 573089974 /nfs/dbraw/zinc/08/99/74/573089974.db2.gz JOCFNYLDAZRTLC-ZETCQYMHSA-N 0 0 139.198 1.089 10 0 ADAERN Cc1[nH]ccc1O 104625489 573090082 /nfs/dbraw/zinc/09/00/82/573090082.db2.gz PVCYHRGPWALJNC-UHFFFAOYSA-N 0 0 97.117 1.029 10 0 ADAERN C[C@@H]1CCC[C@H](NC=O)C1 78731197 573596901 /nfs/dbraw/zinc/59/69/01/573596901.db2.gz FGICUYIIVQPFGM-SFYZADRCSA-N 0 0 141.214 1.311 10 0 ADAERN O[C@@H]1CCSC[C@H]1CCF 259523517 573596902 /nfs/dbraw/zinc/59/69/02/573596902.db2.gz ANILXOWVLLHRGF-RNFRBKRXSA-N 0 0 164.245 1.460 10 0 ADAERN CCC[C@@H]1C[C@H](O)[C@@H](C)O1 238275818 573090960 /nfs/dbraw/zinc/09/09/60/573090960.db2.gz MDTKXQFRSLMQDS-PRJMDXOYSA-N 0 0 144.214 1.325 10 0 ADAERN COC[C@H](C)COC(=O)CC1CC1 308258421 573090974 /nfs/dbraw/zinc/09/09/74/573090974.db2.gz LCJVFVWAWROPGR-QMMMGPOBSA-N 0 0 186.251 1.612 10 0 ADAERN CCCc1cc(=O)cc(C)[nH]1 238273160 573090984 /nfs/dbraw/zinc/09/09/84/573090984.db2.gz SYLDYHNXTBEIAT-UHFFFAOYSA-N 0 0 151.209 1.636 10 0 ADAERN COCCn1cc(C)[nH]c1=S 88154455 573090986 /nfs/dbraw/zinc/09/09/86/573090986.db2.gz RUJABDYRUVYBHM-UHFFFAOYSA-N 0 0 172.253 1.501 10 0 ADAERN CC[C@H]1NC(=O)N[C@@H]1c1cccs1 224822835 573091008 /nfs/dbraw/zinc/09/10/08/573091008.db2.gz GPMQMPOPIRCCEW-SVRRBLITSA-N 0 0 196.275 1.881 10 0 ADAERN COC(=O)c1nc(C(C)C)c[nH]1 259035575 573091016 /nfs/dbraw/zinc/09/10/16/573091016.db2.gz GVCLCPNKPMXDKN-UHFFFAOYSA-N 0 0 168.196 1.320 10 0 ADAERN CCO[C@@H]1NC(=O)C[C@H]2C=CCC[C@@H]21 238275063 573091029 /nfs/dbraw/zinc/09/10/29/573091029.db2.gz NZHPJGQSQXTSJV-YWVKMMECSA-N 0 0 195.262 1.451 10 0 ADAERN Nc1noc(-c2cc(F)cc(F)c2)n1 82539054 573091035 /nfs/dbraw/zinc/09/10/35/573091035.db2.gz YIGMVYPGYASQNV-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN C/C=C/C(=O)N1C[C@@H](C)[C@H](C)C1 85629545 573091040 /nfs/dbraw/zinc/09/10/40/573091040.db2.gz 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/nfs/dbraw/zinc/09/11/37/573091137.db2.gz LCQCYCXQCYFIBQ-SFYZADRCSA-N 0 0 144.214 1.041 10 0 ADAERN C[C@H]1Cc2ccc(O)cc2N1 104626351 573091165 /nfs/dbraw/zinc/09/11/65/573091165.db2.gz KVCDYNJTFOBTSM-LURJTMIESA-N 0 0 149.193 1.749 10 0 ADAERN CCCc1cc(=O)cco1 238273255 573091169 /nfs/dbraw/zinc/09/11/69/573091169.db2.gz NMOXOHPJKJCDEL-UHFFFAOYSA-N 0 0 138.166 1.592 10 0 ADAERN CCCn1ncnc1C(=O)CC1CC1 308500436 573091199 /nfs/dbraw/zinc/09/11/99/573091199.db2.gz VZWIQFZRJJAYCE-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN CC(C)(Cl)CCNC=O 104624217 573091202 /nfs/dbraw/zinc/09/12/02/573091202.db2.gz QVDCBUJSFHMFEP-UHFFFAOYSA-N 0 0 149.621 1.140 10 0 ADAERN C[C@@]1(c2ccco2)C[C@@H]1CO 88158225 573091205 /nfs/dbraw/zinc/09/12/05/573091205.db2.gz QMSWGHUGVUEJGT-VXNVDRBHSA-N 0 0 152.193 1.550 10 0 ADAERN O=C([O-])C/C=C\C[C@H]1CCC[NH2+]C1 258234262 573091218 /nfs/dbraw/zinc/09/12/18/573091218.db2.gz PQGXVXUKDFCLAJ-IYABHPQVSA-N 0 0 183.251 1.407 10 0 ADAERN C[C@]1(c2ccccn2)C[C@H]1CO 88158022 573091224 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163.176 1.689 10 0 ADAERN CCCNC(C)(C)c1noc(CC)n1 308500249 573092571 /nfs/dbraw/zinc/09/25/71/573092571.db2.gz GDVALJMJVABIEL-UHFFFAOYSA-N 0 0 197.282 1.867 10 0 ADAERN CO[C@@H](C)COC(=O)/C=C\C1CC1 308260743 573092576 /nfs/dbraw/zinc/09/25/76/573092576.db2.gz MHCGDJYWZNSPMP-SLGIHZDVSA-N 0 0 184.235 1.531 10 0 ADAERN COC[C@@H](C)n1cc(C)cn1 225012388 573092584 /nfs/dbraw/zinc/09/25/84/573092584.db2.gz FRUHNTWVVVSTQU-MRVPVSSYSA-N 0 0 154.213 1.399 10 0 ADAERN Cc1cn([C@H]2CCOC2)c(=S)[nH]1 88155448 573092599 /nfs/dbraw/zinc/09/25/99/573092599.db2.gz ZXYSDMGXSVIBHG-ZETCQYMHSA-N 0 0 184.264 1.816 10 0 ADAERN O=C1CCC[C@@H]1Sc1ccncn1 82535762 573092610 /nfs/dbraw/zinc/09/26/10/573092610.db2.gz RQQJBBRQBIVOBI-QMMMGPOBSA-N 0 0 194.259 1.690 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H]2CO)nc1 88158170 573092619 /nfs/dbraw/zinc/09/26/19/573092619.db2.gz AZNTYSNEGQNUTQ-RKDXNWHRSA-N 0 0 163.220 1.486 10 0 ADAERN CCC[C@H]1C[C@@H]1CO 88158241 573092627 /nfs/dbraw/zinc/09/26/27/573092627.db2.gz 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573103252 /nfs/dbraw/zinc/10/32/52/573103252.db2.gz LEMPNRLWBRHRED-SCZZXKLOSA-N 0 0 178.235 1.336 10 0 ADAERN CCC[C@@H]1OC(=O)NC1(C)C 238278703 573103256 /nfs/dbraw/zinc/10/32/56/573103256.db2.gz WOCLMBWDAPVXSW-LURJTMIESA-N 0 0 157.213 1.674 10 0 ADAERN CC(C)[C@H](O)c1ccc[nH]1 82564449 573103257 /nfs/dbraw/zinc/10/32/57/573103257.db2.gz JWTGGCAQQWUPIL-QMMMGPOBSA-N 0 0 139.198 1.704 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@H]1CCOC1 82564540 573103265 /nfs/dbraw/zinc/10/32/65/573103265.db2.gz GYWGABVBQFVLJP-CBAPKCEASA-N 0 0 167.208 1.085 10 0 ADAERN O[C@H](c1cc[nH]c1)[C@@H]1CCCOC1 82564594 573103280 /nfs/dbraw/zinc/10/32/80/573103280.db2.gz SOIKTVXWTYCZCX-NXEZZACHSA-N 0 0 181.235 1.475 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@@H]1CCOC1 82564537 573103287 /nfs/dbraw/zinc/10/32/87/573103287.db2.gz GYWGABVBQFVLJP-VXNVDRBHSA-N 0 0 167.208 1.085 10 0 ADAERN Cc1c(Cl)ncnc1-n1cncn1 82567206 573103312 /nfs/dbraw/zinc/10/33/12/573103312.db2.gz SCYRDZZIGWWEDR-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN CC(C)[C@@H](C)CC(=O)NCCCO 308256987 573103340 /nfs/dbraw/zinc/10/33/40/573103340.db2.gz LFVAMDADGWTFTI-VIFPVBQESA-N 0 0 187.283 1.167 10 0 ADAERN CCC[C@@H]1OC(=O)C(=O)[C@@H]1CC 238278518 573103347 /nfs/dbraw/zinc/10/33/47/573103347.db2.gz LIIYDRWSFCOBMO-RQJHMYQMSA-N 0 0 170.208 1.307 10 0 ADAERN CC[C@@H]1SC(N)=[NH+][C@@H](C)S1 238280239 573106898 /nfs/dbraw/zinc/10/68/98/573106898.db2.gz XOPSXADFFBFPBH-UHNVWZDZSA-N 0 0 176.310 1.863 10 0 ADAERN CNCC(F)(F)[C@@H]1CCSC1 257953615 573106909 /nfs/dbraw/zinc/10/69/09/573106909.db2.gz WPFWWPHVJKGPKL-ZCFIWIBFSA-N 0 0 181.251 1.594 10 0 ADAERN CCc1ncc(OC)cc1N 238284770 573106944 /nfs/dbraw/zinc/10/69/44/573106944.db2.gz UIEAMPNXSOGEBB-UHFFFAOYSA-N 0 0 152.197 1.235 10 0 ADAERN COC(=O)[C@H]1CCN1c1ccccc1 141989693 573106964 /nfs/dbraw/zinc/10/69/64/573106964.db2.gz LWHOFXZTWVFZPN-SNVBAGLBSA-N 0 0 191.230 1.438 10 0 ADAERN C/C=C/C=C/COC(N)=O 104643337 573106969 /nfs/dbraw/zinc/10/69/69/573106969.db2.gz ZKXWXGRDYJROEO-MQQKCMAXSA-N 0 0 141.170 1.214 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177.207 1.173 10 0 ADAERN CCOC(=O)N[C@H]1CCC=CO1 238285411 573114048 /nfs/dbraw/zinc/11/40/48/573114048.db2.gz NRRYWYVDSVYOBY-SSDOTTSWSA-N 0 0 171.196 1.383 10 0 ADAERN CCCCN(C(N)=O)[C@H](C)CC 42609234 573114056 /nfs/dbraw/zinc/11/40/56/573114056.db2.gz PMQRQZQIDQMTJE-MRVPVSSYSA-N 0 0 172.272 1.966 10 0 ADAERN COCCCC(=O)Nc1ccno1 308274328 573121498 /nfs/dbraw/zinc/12/14/98/573121498.db2.gz URDFNNIGUKBJRI-UHFFFAOYSA-N 0 0 184.195 1.040 10 0 ADAERN COCC[C@H]1CCN(C(=O)OC)C1 308261932 573114061 /nfs/dbraw/zinc/11/40/61/573114061.db2.gz NBGWOWHZYLFRSZ-MRVPVSSYSA-N 0 0 187.239 1.111 10 0 ADAERN CC/C=C(/C)[C@@H]1CC1(CO)CO 212094605 573114900 /nfs/dbraw/zinc/11/49/00/573114900.db2.gz RWOXBVLKCZKINH-OTOXVQDCSA-N 0 0 170.252 1.334 10 0 ADAERN CC1=CC[C@@H](C(N)=O)CC1 104644147 573114920 /nfs/dbraw/zinc/11/49/20/573114920.db2.gz YOUXMVZSALAVJO-SSDOTTSWSA-N 0 0 139.198 1.218 10 0 ADAERN CCOC(=O)N[C@H]1CC2CCN1CC2 238285248 573114921 /nfs/dbraw/zinc/11/49/21/573114921.db2.gz PARXNCLRCMZANP-SECBINFHSA-N 0 0 198.266 1.174 10 0 ADAERN CCn1c(=O)[nH]c2sccc21 238286323 573114942 /nfs/dbraw/zinc/11/49/42/573114942.db2.gz ZRVFKMKCSMYTIP-UHFFFAOYSA-N 0 0 168.221 1.411 10 0 ADAERN COc1cc2c(cc1[C@@H](C)O)OCC2 257953882 573114944 /nfs/dbraw/zinc/11/49/44/573114944.db2.gz BEAFXSDWMUYJLG-SSDOTTSWSA-N 0 0 194.230 1.683 10 0 ADAERN O=C1CC[C@H]2CCC[C@]1(O)C2 197082764 573115006 /nfs/dbraw/zinc/11/50/06/573115006.db2.gz NBQBRPVQMZZFMU-APPZFPTMSA-N 0 0 154.209 1.271 10 0 ADAERN O=C(c1cccc(F)c1)c1ncc[nH]1 88300830 573115007 /nfs/dbraw/zinc/11/50/07/573115007.db2.gz FTVODDIZCOMIBS-UHFFFAOYSA-N 0 0 190.177 1.780 10 0 ADAERN CC[C@@H]1NC(=O)N(CC)N1CC 238285476 573115010 /nfs/dbraw/zinc/11/50/10/573115010.db2.gz OHZYQSLWZDYHBR-SSDOTTSWSA-N 0 0 171.244 1.005 10 0 ADAERN O=C1CCCC2CCC1(O)CC2 197082852 573115011 /nfs/dbraw/zinc/11/50/11/573115011.db2.gz IIMLTJMWDZEGSL-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN C[C@@H](O)C(=O)OCCCCC1CC1 308274923 573121529 /nfs/dbraw/zinc/12/15/29/573121529.db2.gz UTLYOKOZDNOHGM-MRVPVSSYSA-N 0 0 186.251 1.491 10 0 ADAERN C[C@@H](O)[C@@H]1OC(=O)c2ccccc21 142043866 573115025 /nfs/dbraw/zinc/11/50/25/573115025.db2.gz DGVATGXQLLEFQV-MUWHJKNJSA-N 0 0 178.187 1.279 10 0 ADAERN CCn1cc(C)nc1N1CCOCC1 257944940 573115047 /nfs/dbraw/zinc/11/50/47/573115047.db2.gz WCKLWQSCOHAGBL-UHFFFAOYSA-N 0 0 195.266 1.048 10 0 ADAERN CC[C@@H]1NC(=O)COC12CCCCC2 238285217 573115051 /nfs/dbraw/zinc/11/50/51/573115051.db2.gz LCDVKQHBADCNOX-VIFPVBQESA-N 0 0 197.278 1.614 10 0 ADAERN CC(=O)COC(=O)/C=C/C1CCC1 308274507 573121539 /nfs/dbraw/zinc/12/15/39/573121539.db2.gz URROSRUSXKQTKS-AATRIKPKSA-N 0 0 182.219 1.475 10 0 ADAERN CC(C)(C)[C@]1(C)CNC(=O)N1 258530060 573115077 /nfs/dbraw/zinc/11/50/77/573115077.db2.gz NFNJFNLPNXSRIT-QMMMGPOBSA-N 0 0 156.229 1.104 10 0 ADAERN COC[C@H](CO)c1ccco1 258232866 573115089 /nfs/dbraw/zinc/11/50/89/573115089.db2.gz RNKMCNTXYVMMKH-ZETCQYMHSA-N 0 0 156.181 1.002 10 0 ADAERN CC[C@H]1CC(=O)C(CC)(CC)C(=O)N1 238286545 573115091 /nfs/dbraw/zinc/11/50/91/573115091.db2.gz FJKCQRFRVWIFSY-QMMMGPOBSA-N 0 0 197.278 1.660 10 0 ADAERN CCn1c(C(C)=O)nc2cccnc21 82583536 573115106 /nfs/dbraw/zinc/11/51/06/573115106.db2.gz KXDUVILJNDRONO-UHFFFAOYSA-N 0 0 189.218 1.654 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+]1CC(CC)C1 128728976 573115114 /nfs/dbraw/zinc/11/51/14/573115114.db2.gz AEXWPJYJLASANC-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN COc1cc2c(cc1[C@H](C)O)OCC2 257953884 573115138 /nfs/dbraw/zinc/11/51/38/573115138.db2.gz BEAFXSDWMUYJLG-ZETCQYMHSA-N 0 0 194.230 1.683 10 0 ADAERN C/C=C/C(=O)N1CCO[C@@H]2CCC[C@H]21 88383561 573115148 /nfs/dbraw/zinc/11/51/48/573115148.db2.gz JNJMTBKZYIPIRI-QWZJGYIASA-N 0 0 195.262 1.342 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+]1CC2(CC2)C1 128728485 573115168 /nfs/dbraw/zinc/11/51/68/573115168.db2.gz DOXMLDUIFDNULK-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+]1CC(C)(C)C1 128730500 573115180 /nfs/dbraw/zinc/11/51/80/573115180.db2.gz NIDTVHVDVQWMFM-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC1(C)CCN(C(=O)n2ccnc2)C1 85696647 573115185 /nfs/dbraw/zinc/11/51/85/573115185.db2.gz WOZGYHJIKDCTFE-UHFFFAOYSA-N 0 0 193.250 1.583 10 0 ADAERN CC(C)Cc1cc(N)c(Cl)nn1 257944456 573115212 /nfs/dbraw/zinc/11/52/12/573115212.db2.gz LTYUQSKIXWMTSO-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN OCCCc1ccc2snnc2c1 257953988 573115222 /nfs/dbraw/zinc/11/52/22/573115222.db2.gz BHCHVDSOSZNTTQ-UHFFFAOYSA-N 0 0 194.259 1.616 10 0 ADAERN CONCc1cc(C)cc2c1OCO2 257953982 573115227 /nfs/dbraw/zinc/11/52/27/573115227.db2.gz BGYFYEBHTGQPCO-UHFFFAOYSA-N 0 0 195.218 1.375 10 0 ADAERN NC(=O)N1CCCCc2ccccc21 88329665 573115252 /nfs/dbraw/zinc/11/52/52/573115252.db2.gz FTBOQZHURGVQGL-UHFFFAOYSA-N 0 0 190.246 1.908 10 0 ADAERN C[C@@H](C1CCC1)[C@H](C)[C@@H]([NH3+])CC(=O)[O-] 142085657 573115255 /nfs/dbraw/zinc/11/52/55/573115255.db2.gz NNJXSXGEPVNJEQ-WEDXCCLWSA-N 0 0 199.294 1.861 10 0 ADAERN CCc1ccc(OC)nc1C=O 238287355 573115455 /nfs/dbraw/zinc/11/54/55/573115455.db2.gz HOQBYDQEHUCGCE-UHFFFAOYSA-N 0 0 165.192 1.465 10 0 ADAERN c1cc2c(nn1)NCCCS2 257945429 573118371 /nfs/dbraw/zinc/11/83/71/573118371.db2.gz DSNZIRFZMVVCCS-UHFFFAOYSA-N 0 0 167.237 1.384 10 0 ADAERN CS[C@H](C(N)=O)c1ccccc1N 197091242 573118381 /nfs/dbraw/zinc/11/83/81/573118381.db2.gz VXKHSOWGWKHHER-QMMMGPOBSA-N 0 0 196.275 1.158 10 0 ADAERN C[C@@H](O)c1cnc([C@H]2CCCCO2)o1 257945026 573118487 /nfs/dbraw/zinc/11/84/87/573118487.db2.gz FNPJTJDIVSQOLV-HTQZYQBOSA-N 0 0 197.234 1.970 10 0 ADAERN Oc1cccc2nnc(C3CCC3)n12 257945093 573118492 /nfs/dbraw/zinc/11/84/92/573118492.db2.gz KMRVXGQFTWWVGP-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN C[C@H](O)C(=O)O[C@@H](C)C1CCCC1 308273774 573118558 /nfs/dbraw/zinc/11/85/58/573118558.db2.gz UFABFSBYSNWNLX-YUMQZZPRSA-N 0 0 186.251 1.489 10 0 ADAERN C[C@@H](O)/C=C/S/C=C/[C@@H](C)O 143994391 573118632 /nfs/dbraw/zinc/11/86/32/573118632.db2.gz LHWAUUWPKFTTMR-OPFKOPFOSA-N 0 0 174.265 1.509 10 0 ADAERN CCc1ccc2c(c1)CCOC2=O 238287497 573118637 /nfs/dbraw/zinc/11/86/37/573118637.db2.gz IIDUBHWVSHREPO-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN CC[C@]1(O)C(C)=CC[C@H](C)[C@@H]1O 238280900 573121569 /nfs/dbraw/zinc/12/15/69/573121569.db2.gz IBITTZDDSPWQDP-HGNGGELXSA-N 0 0 170.252 1.475 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(N)o1 238280419 573121575 /nfs/dbraw/zinc/12/15/75/573121575.db2.gz RYZMMUHAICXBML-RXMQYKEDSA-N 0 0 140.186 1.272 10 0 ADAERN C=C/C=C/C(C)(C)C(N)=O 104650687 573119907 /nfs/dbraw/zinc/11/99/07/573119907.db2.gz UVESPUMQRNADRP-AATRIKPKSA-N 0 0 139.198 1.240 10 0 ADAERN CCCC1(c2ncc[nH]c2=O)CCC1 686131192 573121587 /nfs/dbraw/zinc/12/15/87/573121587.db2.gz CWKDZLLPXSRWQS-UHFFFAOYSA-N 0 0 192.262 1.992 10 0 ADAERN CC1(C)C(c2n[nH]c(=O)o2)C1(C)C 85710986 573121590 /nfs/dbraw/zinc/12/15/90/573121590.db2.gz ABSGERKKUXVTQO-UHFFFAOYSA-N 0 0 182.223 1.513 10 0 ADAERN Cc1nc2cccc(CCON)c2o1 257947684 573120612 /nfs/dbraw/zinc/12/06/12/573120612.db2.gz ANMZIODDURAPFG-UHFFFAOYSA-N 0 0 192.218 1.569 10 0 ADAERN CC[C@@H]1C(=O)NN[C@@H]1[C@@]1(C)CC1(C)C 717145491 573120614 /nfs/dbraw/zinc/12/06/14/573120614.db2.gz DPUCFBBQKCQMRU-DKCNOQQISA-N 0 0 196.294 1.452 10 0 ADAERN CCCn1nncc1[C@@H](C)[C@@H](C)O 128754056 573120656 /nfs/dbraw/zinc/12/06/56/573120656.db2.gz OMYJAOISCKYASW-JGVFFNPUSA-N 0 0 183.255 1.172 10 0 ADAERN CCCn1nc(C)c2c(N)n[nH]c21 82608710 573120658 /nfs/dbraw/zinc/12/06/58/573120658.db2.gz IEMMNZRDFBFRKO-UHFFFAOYSA-N 0 0 179.227 1.060 10 0 ADAERN CCOCc1c(N)cnn1C(C)C 257947992 573120659 /nfs/dbraw/zinc/12/06/59/573120659.db2.gz RSDMYROJPJXJCP-UHFFFAOYSA-N 0 0 183.255 1.583 10 0 ADAERN COCC(=O)C1(OC)CCCC1 128764112 573120693 /nfs/dbraw/zinc/12/06/93/573120693.db2.gz XXVXCFVHRTVPMW-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@@H](C)C1 82604333 573120787 /nfs/dbraw/zinc/12/07/87/573120787.db2.gz XSVMNXBXCIYSOE-ZFZMKPAXSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1cc([C@H](O)C(F)F)sn1 642847432 573121416 /nfs/dbraw/zinc/12/14/16/573121416.db2.gz QFKAUNLKUSKGKR-YFKPBYRVSA-N 0 0 179.191 1.250 10 0 ADAERN Cc1noc(N)c1[C@@H]1CCCO1 258535931 573135212 /nfs/dbraw/zinc/13/52/12/573135212.db2.gz NXLZLZLSKCDMPQ-LURJTMIESA-N 0 0 168.196 1.417 10 0 ADAERN CCc1c(C)nc2[nH]nc(N)c2c1C 238299144 573135218 /nfs/dbraw/zinc/13/52/18/573135218.db2.gz SOUCEWJWKSKCKQ-UHFFFAOYSA-N 0 0 190.250 1.719 10 0 ADAERN Cc1noc([C@H](C)N[C@H](C)CF)n1 308280276 573135220 /nfs/dbraw/zinc/13/52/20/573135220.db2.gz WTLSPWYDALEBPR-RITPCOANSA-N 0 0 187.218 1.387 10 0 ADAERN Cc1nnc(C2CCCC2)c(N)n1 259339904 573135233 /nfs/dbraw/zinc/13/52/33/573135233.db2.gz VCYHMZWAXYWTIO-UHFFFAOYSA-N 0 0 178.239 1.420 10 0 ADAERN CC(C)Cc1nc2nccnc2[nH]1 141947571 573135242 /nfs/dbraw/zinc/13/52/42/573135242.db2.gz SLHVZARKIFIDJB-UHFFFAOYSA-N 0 0 176.223 1.551 10 0 ADAERN CC1(C)C(c2nc(N)n[nH]2)C1(C)C 85709484 573122269 /nfs/dbraw/zinc/12/22/69/573122269.db2.gz NLDQEZUPOSDATB-UHFFFAOYSA-N 0 0 180.255 1.537 10 0 ADAERN CCc1c[nH]c(SCC2COC2)n1 308273880 573122289 /nfs/dbraw/zinc/12/22/89/573122289.db2.gz UNJMLHSEVRALSZ-UHFFFAOYSA-N 0 0 198.291 1.711 10 0 ADAERN C[C@]1(F)CC[N@H+](CCCC(=O)[O-])C1 308274903 573122298 /nfs/dbraw/zinc/12/22/98/573122298.db2.gz UTCQFBPYPYYWLX-VIFPVBQESA-N 0 0 189.230 1.285 10 0 ADAERN C[C@]1(c2nnc(C=O)o2)CCSC1 258233396 573122314 /nfs/dbraw/zinc/12/23/14/573122314.db2.gz ZSLWVUGNMWGKHF-QMMMGPOBSA-N 0 0 198.247 1.277 10 0 ADAERN O[C@@H](c1ccncn1)C(F)(F)F 85703176 573122315 /nfs/dbraw/zinc/12/23/15/573122315.db2.gz FXHWNYNAWIJKTG-YFKPBYRVSA-N 0 0 178.113 1.072 10 0 ADAERN OCCSc1ccnc(Cl)c1 82605765 573122333 /nfs/dbraw/zinc/12/23/33/573122333.db2.gz FLGBVTNVUPITOP-UHFFFAOYSA-N 0 0 189.667 1.819 10 0 ADAERN CC(C)[C@@H](O)CC(=O)NC(C)(C)C 308268933 573122347 /nfs/dbraw/zinc/12/23/47/573122347.db2.gz RCHNEAUPZNNSHO-QMMMGPOBSA-N 0 0 187.283 1.308 10 0 ADAERN C[C@@H](O)[C@H]1CNc2ccc(F)cc21 257946366 573122356 /nfs/dbraw/zinc/12/23/56/573122356.db2.gz DWYFHXVJQDVSGS-HZGVNTEJSA-N 0 0 181.210 1.716 10 0 ADAERN CC(C)[C@H](O)CC(=O)NC(C)(C)C 308268932 573122397 /nfs/dbraw/zinc/12/23/97/573122397.db2.gz RCHNEAUPZNNSHO-MRVPVSSYSA-N 0 0 187.283 1.308 10 0 ADAERN C=C/C=C/[C@@H](O)CCC1=CC(=O)OC1 218559478 573122399 /nfs/dbraw/zinc/12/23/99/573122399.db2.gz UTGMJSXUDZCZCT-HMDXOVGESA-N 0 0 194.230 1.353 10 0 ADAERN COC(C)(C)c1cccc(CON)c1 259333830 573122418 /nfs/dbraw/zinc/12/24/18/573122418.db2.gz FIMUUJNYYQBTTO-UHFFFAOYSA-N 0 0 195.262 1.958 10 0 ADAERN C[C@@H](N)c1nc([C@H]2CCCCO2)no1 257947912 573122435 /nfs/dbraw/zinc/12/24/35/573122435.db2.gz ILSFDZDJIYCYSQ-RNFRBKRXSA-N 0 0 197.238 1.331 10 0 ADAERN CCc1nc(SC)nc(NC)c1N 238280771 573122438 /nfs/dbraw/zinc/12/24/38/573122438.db2.gz RNUCZGRNJKTMCD-UHFFFAOYSA-N 0 0 198.295 1.385 10 0 ADAERN Cc1cccc(N(C)[C@H](C)CO)c1N 235475522 573128462 /nfs/dbraw/zinc/12/84/62/573128462.db2.gz JGYNJEGTLLBTHX-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN CCc1nccn1-c1ccnc(C)n1 82615634 573128516 /nfs/dbraw/zinc/12/85/16/573128516.db2.gz SOTIFAAEGQOMRC-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN CC[C@H]1C(=O)OC[C@H]1c1c[nH]cn1 238281722 573128520 /nfs/dbraw/zinc/12/85/20/573128520.db2.gz QMDSJZIAVCXZNP-RNFRBKRXSA-N 0 0 180.207 1.076 10 0 ADAERN CC[C@@H](O)c1[nH]c(C)nc1C 238283142 573128727 /nfs/dbraw/zinc/12/87/27/573128727.db2.gz JEQOWPPVBUZPAY-SSDOTTSWSA-N 0 0 154.213 1.470 10 0 ADAERN Cc1nc(CNc2nccs2)c[nH]1 85733814 573128735 /nfs/dbraw/zinc/12/87/35/573128735.db2.gz IDZMKVBLPAMFAL-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CCc1ncc(Br)o1 642848359 573129015 /nfs/dbraw/zinc/12/90/15/573129015.db2.gz FJFNZPUASKLTLA-UHFFFAOYSA-N 0 0 175.005 1.822 10 0 ADAERN Cc1cccnc1-n1cccn1 82615535 573129017 /nfs/dbraw/zinc/12/90/17/573129017.db2.gz CTKPEOGQCHYQQK-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN CCc1nc(C)c([C@H](O)CC)[nH]1 238283161 573131249 /nfs/dbraw/zinc/13/12/49/573131249.db2.gz VHPNICHIEFJQLZ-SSDOTTSWSA-N 0 0 168.240 1.724 10 0 ADAERN Cc1cc(F)cc2nccc(NN)c12 85732188 573131377 /nfs/dbraw/zinc/13/13/77/573131377.db2.gz OMEHVXJWDDEZRV-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN CCc1[nH]c(=O)[nH]c1C(F)(F)F 257951820 573131380 /nfs/dbraw/zinc/13/13/80/573131380.db2.gz WHFJADIBBUPNIC-UHFFFAOYSA-N 0 0 180.129 1.697 10 0 ADAERN CC[C@@](C)(CCO)OC 114858094 573134143 /nfs/dbraw/zinc/13/41/43/573134143.db2.gz BXQSHESZNGFKSC-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN CCn1nccc1C(=O)[C@H]1CCCO1 83710721 573598027 /nfs/dbraw/zinc/59/80/27/573598027.db2.gz XDUJJILFSRIEAJ-SECBINFHSA-N 0 0 194.234 1.265 10 0 ADAERN O=C1NC[C@@H]2C=C[C@H]1c1ccccc12 141921645 573134892 /nfs/dbraw/zinc/13/48/92/573134892.db2.gz WPATXYRQRKAYPF-KWQFWETISA-N 0 0 185.226 1.553 10 0 ADAERN CC1(CNC(N)=S)CCCC1 82625551 573134894 /nfs/dbraw/zinc/13/48/94/573134894.db2.gz ZEFRDMYIPKBQKC-UHFFFAOYSA-N 0 0 172.297 1.400 10 0 ADAERN NC1=NO[C@H](c2ccccc2O)C1 257951836 573134898 /nfs/dbraw/zinc/13/48/98/573134898.db2.gz WHOICMLUOIXGOU-QMMMGPOBSA-N 0 0 178.191 1.126 10 0 ADAERN CC[C@@H]1C[C@](C)(C(C)=O)C(=O)O1 238283868 573134899 /nfs/dbraw/zinc/13/48/99/573134899.db2.gz DTIRQNWYXVANOB-VXNVDRBHSA-N 0 0 170.208 1.307 10 0 ADAERN CC(=O)NC(=[NH2+])N(C)c1ccccc1 238283955 573134907 /nfs/dbraw/zinc/13/49/07/573134907.db2.gz WLOCYUVMXDGJBI-UHFFFAOYSA-N 0 0 191.234 1.194 10 0 ADAERN O[C@H]1C[C@@H]2CCOc3cccc1c32 82618512 573134908 /nfs/dbraw/zinc/13/49/08/573134908.db2.gz JINXRUCTZBSEFH-CBAPKCEASA-N 0 0 176.215 1.990 10 0 ADAERN COC[C@H]([NH3+])c1cc(O)ccc1C 104661450 573134916 /nfs/dbraw/zinc/13/49/16/573134916.db2.gz YPAGNRGDARPKLY-JTQLQIEISA-N 0 0 181.235 1.347 10 0 ADAERN C/C=C/C=C\COC(=O)[C@@H](C)OC 308278226 573134924 /nfs/dbraw/zinc/13/49/24/573134924.db2.gz WPSCGLJXZVVHBB-WEWBCIAOSA-N 0 0 184.235 1.697 10 0 ADAERN CC[C@@H]1C[C@](C)(CC)NC(=O)N1 238283940 573134926 /nfs/dbraw/zinc/13/49/26/573134926.db2.gz UPMSUMXYHXOHRF-APPZFPTMSA-N 0 0 170.256 1.637 10 0 ADAERN C=Cc1nc([C@@H]2CCCO2)no1 83710202 573598034 /nfs/dbraw/zinc/59/80/34/573598034.db2.gz QZNSFQYIKGQWRQ-LURJTMIESA-N 0 0 166.180 1.564 10 0 ADAERN CC1(CN2C(=O)C=CC2=O)CCCC1 82625589 573134945 /nfs/dbraw/zinc/13/49/45/573134945.db2.gz CDYCBVLFCDWGEL-UHFFFAOYSA-N 0 0 193.246 1.492 10 0 ADAERN C=CC(=O)NCC1(C)CCCC1 82625493 573134952 /nfs/dbraw/zinc/13/49/52/573134952.db2.gz IFVWLLKRMCRGPK-UHFFFAOYSA-N 0 0 167.252 1.869 10 0 ADAERN CC(C)CC(=O)OCc1ncon1 308278984 573134968 /nfs/dbraw/zinc/13/49/68/573134968.db2.gz WELLPVIJNYHWGE-UHFFFAOYSA-N 0 0 184.195 1.159 10 0 ADAERN O=c1ccccn1Cc1cccs1 114852983 573134973 /nfs/dbraw/zinc/13/49/73/573134973.db2.gz MTGAOXDNUNLJQS-UHFFFAOYSA-N 0 0 191.255 1.958 10 0 ADAERN O[C@@H]1C[C@H]2CCOc3cccc1c32 82618513 573135011 /nfs/dbraw/zinc/13/50/11/573135011.db2.gz JINXRUCTZBSEFH-VXNVDRBHSA-N 0 0 176.215 1.990 10 0 ADAERN CCn1cc([C@@H](O)[C@H]2CCCO2)cn1 83711383 573598040 /nfs/dbraw/zinc/59/80/40/573598040.db2.gz CIOAUISBVAMYHN-NXEZZACHSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1cc(NC(=O)NC(C)C)n[nH]1 82617680 573135062 /nfs/dbraw/zinc/13/50/62/573135062.db2.gz BLTCWVYUMWFQPJ-UHFFFAOYSA-N 0 0 182.227 1.248 10 0 ADAERN CCc1ncc(O)cc1OC 238284579 573135080 /nfs/dbraw/zinc/13/50/80/573135080.db2.gz JLKNAHAOOSGGNE-UHFFFAOYSA-N 0 0 153.181 1.358 10 0 ADAERN CNC(=O)O[C@H]1C=CCCC1 238299168 573135130 /nfs/dbraw/zinc/13/51/30/573135130.db2.gz WWGVPDKXQNEEIS-ZETCQYMHSA-N 0 0 155.197 1.451 10 0 ADAERN COC(=O)/C(C)=C/[C@H](C)[C@@H](C)O 215529123 573135132 /nfs/dbraw/zinc/13/51/32/573135132.db2.gz FJCPHGVIALCHMO-MGRRSFKLSA-N 0 0 172.224 1.123 10 0 ADAERN CCOC(=O)[C@]1(C)CC(C)(C)CCN1 257952119 573135150 /nfs/dbraw/zinc/13/51/50/573135150.db2.gz FUAHZZFSTUQJIJ-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN CC1(CNC#N)CCCC1 82625498 573135163 /nfs/dbraw/zinc/13/51/63/573135163.db2.gz RMTDODIGANFFEN-UHFFFAOYSA-N 0 0 138.214 1.637 10 0 ADAERN CC[C@H]1C(=O)NC(=O)[C@]1(C)CC 238284361 573135164 /nfs/dbraw/zinc/13/51/64/573135164.db2.gz RWFLNMZIMJJXCL-IMTBSYHQSA-N 0 0 169.224 1.085 10 0 ADAERN Cc1coc(N(C)C[C@H](C)CO)n1 308278580 573135185 /nfs/dbraw/zinc/13/51/85/573135185.db2.gz WBKNKXFWTNARLH-ZETCQYMHSA-N 0 0 184.239 1.048 10 0 ADAERN Nc1ccccc1C1=CCOC1 258535962 573135202 /nfs/dbraw/zinc/13/52/02/573135202.db2.gz NXUZYGJHHMPVGH-UHFFFAOYSA-N 0 0 161.204 1.682 10 0 ADAERN CCc1nnc2n1CCCCN2 238291514 573150989 /nfs/dbraw/zinc/15/09/89/573150989.db2.gz QLOQPIUMNPXJGO-UHFFFAOYSA-N 0 0 166.228 1.046 10 0 ADAERN C[C@](N)(c1cccnc1)C(F)(F)F 82670838 573151013 /nfs/dbraw/zinc/15/10/13/573151013.db2.gz VDPUHNJWARYVAC-ZETCQYMHSA-N 0 0 190.168 1.818 10 0 ADAERN C[C@@H](O)Cc1c(F)ccc2c1OCC2 257956044 573137283 /nfs/dbraw/zinc/13/72/83/573137283.db2.gz BKUZSLQNGCXYQW-SSDOTTSWSA-N 0 0 196.221 1.684 10 0 ADAERN [NH3+][C@@H]1CCc2c(ccc(F)c2O)C1 104659686 573137527 /nfs/dbraw/zinc/13/75/27/573137527.db2.gz RVXDHFMUSHVCLD-SSDOTTSWSA-N 0 0 181.210 1.347 10 0 ADAERN COC[C@@H]([NH3+])c1ccnc(C)c1 104660284 573137563 /nfs/dbraw/zinc/13/75/63/573137563.db2.gz VDWLXXGTIMQRTF-SECBINFHSA-N 0 0 166.224 1.036 10 0 ADAERN O[C@H]1CCCC[C@@H]1c1ncc[nH]1 141960712 573137590 /nfs/dbraw/zinc/13/75/90/573137590.db2.gz CUQMEFPOLZFWDR-YUMQZZPRSA-N 0 0 166.224 1.428 10 0 ADAERN COC(=O)c1ncc(N2CCCC2)o1 259341107 573137591 /nfs/dbraw/zinc/13/75/91/573137591.db2.gz LUKVROXDJJGKFF-UHFFFAOYSA-N 0 0 196.206 1.061 10 0 ADAERN Nc1n[nH]cc1-c1cc(O)ccc1O 257956067 573137625 /nfs/dbraw/zinc/13/76/25/573137625.db2.gz BLBAWCFPLFLQMS-UHFFFAOYSA-N 0 0 191.190 1.070 10 0 ADAERN CC(=O)[C@@H]1CCC[C@H]2C=NN(C)[C@H]21 257729632 573137630 /nfs/dbraw/zinc/13/76/30/573137630.db2.gz NJBVEBRPFHWMJY-LPEHRKFASA-N 0 0 180.251 1.292 10 0 ADAERN Nc1coc(COc2cccnc2)n1 257956839 573137646 /nfs/dbraw/zinc/13/76/46/573137646.db2.gz XVHBKHXRABBFEQ-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN O=C(OC1CCC1)c1ccnc(F)c1 82643241 573137670 /nfs/dbraw/zinc/13/76/70/573137670.db2.gz PIESWMFDBPONCX-UHFFFAOYSA-N 0 0 195.193 1.930 10 0 ADAERN Cn1cc2c(F)c(N)ccc2n1 259340712 573137679 /nfs/dbraw/zinc/13/76/79/573137679.db2.gz HFTZWNWQIVKRJV-UHFFFAOYSA-N 0 0 165.171 1.295 10 0 ADAERN Cc1ccc([C@@](C)([NH3+])CO)c(F)c1 104660931 573137685 /nfs/dbraw/zinc/13/76/85/573137685.db2.gz JLPCEAAMSGVVDR-JTQLQIEISA-N 0 0 183.226 1.300 10 0 ADAERN COCC[C@@H](NC(C)=O)C(C)(C)C 308280704 573137691 /nfs/dbraw/zinc/13/76/91/573137691.db2.gz XSPYBHGYURXXFA-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN CC[C@H]([NH3+])c1ccncc1C(=O)[O-] 104662462 573137719 /nfs/dbraw/zinc/13/77/19/573137719.db2.gz PWERREMXPYNBNW-QMMMGPOBSA-N 0 0 180.207 1.190 10 0 ADAERN O[C@@H]1CCCC[C@H]1c1ncc[nH]1 141960894 573137734 /nfs/dbraw/zinc/13/77/34/573137734.db2.gz CUQMEFPOLZFWDR-HTQZYQBOSA-N 0 0 166.224 1.428 10 0 ADAERN CC(C)[C@H]([NH3+])c1ccncc1N 104660195 573137739 /nfs/dbraw/zinc/13/77/39/573137739.db2.gz OUXRIGQZMHUBJS-VIFPVBQESA-N 0 0 165.240 1.320 10 0 ADAERN Cc1ccnc(C(=O)[C@@H]2CCOC2)c1 82643499 573137804 /nfs/dbraw/zinc/13/78/04/573137804.db2.gz GAPHWWNKGJIAAH-SECBINFHSA-N 0 0 191.230 1.609 10 0 ADAERN CN1CCCC[C@@H]1C(F)(F)CO 141960393 573137818 /nfs/dbraw/zinc/13/78/18/573137818.db2.gz JQAHAJQDDKARAA-SSDOTTSWSA-N 0 0 179.210 1.098 10 0 ADAERN NC(=O)C1=Cc2ccccc2CC1 114904950 573137837 /nfs/dbraw/zinc/13/78/37/573137837.db2.gz VEBYIGGYOBSBCS-UHFFFAOYSA-N 0 0 173.215 1.502 10 0 ADAERN COc1cc(C)c(O)cc1CCON 257956109 573137888 /nfs/dbraw/zinc/13/78/88/573137888.db2.gz BLQQSWJDBHCNRG-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN Cc1noc(-c2cncc(O)c2)n1 82644372 573137901 /nfs/dbraw/zinc/13/79/01/573137901.db2.gz AFAUWIGUNRJQMD-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)c1ccnn1C 689921532 573137924 /nfs/dbraw/zinc/13/79/24/573137924.db2.gz OVNNSCQOUNLHLW-IONNQARKSA-N 0 0 194.234 1.028 10 0 ADAERN CCC[C@](C[NH3+])(C(=O)[O-])[C@H](C)F 257956403 573137943 /nfs/dbraw/zinc/13/79/43/573137943.db2.gz WWBVDTIQJJQUOJ-POYBYMJQSA-N 0 0 177.219 1.174 10 0 ADAERN C[NH2+]Cc1nc(C)cc(C2CCC2)n1 259340456 573140185 /nfs/dbraw/zinc/14/01/85/573140185.db2.gz PJYUWUYQZGXYKF-UHFFFAOYSA-N 0 0 191.278 1.772 10 0 ADAERN CCc1noc2c1CC(=O)C[C@@H]2C 238292726 573151055 /nfs/dbraw/zinc/15/10/55/573151055.db2.gz IVXPVHXMAZNBQR-LURJTMIESA-N 0 0 179.219 1.856 10 0 ADAERN CC(C)Nn1ncc2ccc(N)cc21 89197772 573140189 /nfs/dbraw/zinc/14/01/89/573140189.db2.gz HSVZQCQONUIHJW-UHFFFAOYSA-N 0 0 190.250 1.570 10 0 ADAERN CC[C@@H]1C(=O)Oc2c(O)cccc21 238299275 573140191 /nfs/dbraw/zinc/14/01/91/573140191.db2.gz VCQNNNQETPPGKM-LURJTMIESA-N 0 0 178.187 1.805 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]2CCC[C@@H]21 238291392 573151067 /nfs/dbraw/zinc/15/10/67/573151067.db2.gz NXBBYICKNIMYKA-XKSSXDPKSA-N 0 0 167.252 1.701 10 0 ADAERN COC(=O)C(C)(CF)CF 115030576 573151069 /nfs/dbraw/zinc/15/10/69/573151069.db2.gz IFFNDNZRDKTJEH-UHFFFAOYSA-N 0 0 152.140 1.105 10 0 ADAERN CC(C)(C)C[C@H](O)[C@@H]1CCOC1 82673731 573151071 /nfs/dbraw/zinc/15/10/71/573151071.db2.gz HOIIAHXMKREHDV-BDAKNGLRSA-N 0 0 172.268 1.820 10 0 ADAERN CCCOc1cnn(C[C@H](O)CC)c1 308507993 573146915 /nfs/dbraw/zinc/14/69/15/573146915.db2.gz QMGRNVUVSSIZJY-SECBINFHSA-N 0 0 198.266 1.443 10 0 ADAERN Cc1ccnc(NC(C)(C)[C@H](C)O)c1 123717999 573146943 /nfs/dbraw/zinc/14/69/43/573146943.db2.gz HHJCIJIGGSFCGS-VIFPVBQESA-N 0 0 194.278 1.961 10 0 ADAERN OCc1cc(C[C@@H]2CCSC2)n[nH]1 259342785 573146973 /nfs/dbraw/zinc/14/69/73/573146973.db2.gz TXGRGFLLEFFSAT-ZETCQYMHSA-N 0 0 198.291 1.198 10 0 ADAERN CC/C=C\C(=O)OC[C@@H]1CCCO1 308287770 573146978 /nfs/dbraw/zinc/14/69/78/573146978.db2.gz CSNNKOYLNQRFPW-RWIWAZIYSA-N 0 0 184.235 1.675 10 0 ADAERN CCNc1ncc(C)o1 257956874 573146980 /nfs/dbraw/zinc/14/69/80/573146980.db2.gz XWYARGBISLHWAA-UHFFFAOYSA-N 0 0 126.159 1.415 10 0 ADAERN CC[C@@H]1OC(=O)c2ccc(N)cc21 238290233 573146983 /nfs/dbraw/zinc/14/69/83/573146983.db2.gz KTYFLRPGTMVWBU-VIFPVBQESA-N 0 0 177.203 1.890 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1ccc(N)cn1 82648111 573146986 /nfs/dbraw/zinc/14/69/86/573146986.db2.gz ZAQBLGORGTWVDP-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN C[C@H]([NH3+])c1nccc2[nH]ccc12 89220518 573147002 /nfs/dbraw/zinc/14/70/02/573147002.db2.gz RMUHNWQWKUOMMW-LURJTMIESA-N 0 0 161.208 1.583 10 0 ADAERN Nc1ncnc(C2CCCCC2)n1 82664308 573147030 /nfs/dbraw/zinc/14/70/30/573147030.db2.gz ARIJIGAPSDRGAG-UHFFFAOYSA-N 0 0 178.239 1.502 10 0 ADAERN FC1(F)CNCC[C@@H]1c1ccncc1 258540783 573147034 /nfs/dbraw/zinc/14/70/34/573147034.db2.gz IDJPIOKBTDBCDK-SECBINFHSA-N 0 0 198.216 1.794 10 0 ADAERN CCC1(C2(C(=O)OC)CCC2)COC1 258540051 573147470 /nfs/dbraw/zinc/14/74/70/573147470.db2.gz JJPJLNSSYANPDV-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN C[NH2+][C@H](C)c1ccc(C[NH3+])o1 258539239 573147479 /nfs/dbraw/zinc/14/74/79/573147479.db2.gz OHQANFIHCYCJHO-ZCFIWIBFSA-N 0 0 154.213 1.019 10 0 ADAERN CCc1c(C)cnc2c(CO)cnn12 238292020 573151099 /nfs/dbraw/zinc/15/10/99/573151099.db2.gz LPTJFNCWXCXJGU-UHFFFAOYSA-N 0 0 191.234 1.092 10 0 ADAERN CC[C@@H]1O[C@@H]1C(=O)CC(C)C 238291486 573151114 /nfs/dbraw/zinc/15/11/14/573151114.db2.gz ZTRHKEBEPLRQQA-DTWKUNHWSA-N 0 0 156.225 1.779 10 0 ADAERN CNc1cc(-n2ccnc2)ccc1N 114947372 573148671 /nfs/dbraw/zinc/14/86/71/573148671.db2.gz FCUQXKYGQQOQGS-UHFFFAOYSA-N 0 0 188.234 1.496 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1ccc[nH]1 104667291 573151115 /nfs/dbraw/zinc/15/11/15/573151115.db2.gz FSPLXQIFCYQNHP-SSDOTTSWSA-N 0 0 182.223 1.125 10 0 ADAERN O=Cc1ccc(F)c2c[nH]nc12 258541631 573148684 /nfs/dbraw/zinc/14/86/84/573148684.db2.gz OMWMXKFXILNUMO-UHFFFAOYSA-N 0 0 164.139 1.515 10 0 ADAERN CCCc1nc(N)nc([C@@H](C)CC)n1 82664675 573150823 /nfs/dbraw/zinc/15/08/23/573150823.db2.gz FCOSUUPAUNZKCP-ZETCQYMHSA-N 0 0 194.282 1.920 10 0 ADAERN CN1CCO[C@@H](C(=O)C2CCCC2)C1 85792803 573150828 /nfs/dbraw/zinc/15/08/28/573150828.db2.gz ZMJBKXQDVXNXPQ-SNVBAGLBSA-N 0 0 197.278 1.076 10 0 ADAERN O=[N+]([O-])N1CCc2ccccc21 89210311 573150839 /nfs/dbraw/zinc/15/08/39/573150839.db2.gz MKDCJAPHKZPKOU-UHFFFAOYSA-N 0 0 164.164 1.241 10 0 ADAERN COc1ccc([C@@H]([NH3+])OC)cc1F 259345767 573150864 /nfs/dbraw/zinc/15/08/64/573150864.db2.gz JOPANHBFECYABR-VIFPVBQESA-N 0 0 185.198 1.438 10 0 ADAERN C[NH2+][C@@H](c1cnn[n-]1)[C@@H](C)CC(C)C 308503864 573150878 /nfs/dbraw/zinc/15/08/78/573150878.db2.gz XWXAHUSPXOZNMG-WCBMZHEXSA-N 0 0 196.298 1.747 10 0 ADAERN Oc1cccc2c1NC[C@@H]2F 258550920 573150882 /nfs/dbraw/zinc/15/08/82/573150882.db2.gz PJKQOFBOIVEKRM-LURJTMIESA-N 0 0 153.156 1.828 10 0 ADAERN CCOC(=O)c1cc2nc(C)[nH]c2[nH]1 238292571 573150888 /nfs/dbraw/zinc/15/08/88/573150888.db2.gz ISGBELWIYSWELW-UHFFFAOYSA-N 0 0 193.206 1.376 10 0 ADAERN Nc1ncc(Cc2ccccc2F)o1 258552498 573150907 /nfs/dbraw/zinc/15/09/07/573150907.db2.gz JGTNCFFEVVLQMI-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN CC[C@H]([NH3+])c1ncccc1C(=O)[O-] 104666532 573150919 /nfs/dbraw/zinc/15/09/19/573150919.db2.gz SASSQPJHNPJMSX-ZETCQYMHSA-N 0 0 180.207 1.190 10 0 ADAERN C/C=C/C(=O)OCc1cnn(C)c1 308287534 573150932 /nfs/dbraw/zinc/15/09/32/573150932.db2.gz FEBCVBCTUNCCGF-ONEGZZNKSA-N 0 0 180.207 1.039 10 0 ADAERN CC[C@](C)(O)c1ccc(CO)cc1 238291814 573150933 /nfs/dbraw/zinc/15/09/33/573150933.db2.gz SQKUJRGUKQPOSR-NSHDSACASA-N 0 0 180.247 1.796 10 0 ADAERN C[C@H](N)c1nnc(N[C@H]2CC23CC3)o1 715592292 573183301 /nfs/dbraw/zinc/18/33/01/573183301.db2.gz OMRVMVDTNWJKHI-WDSKDSINSA-N 0 0 194.238 1.054 10 0 ADAERN Nc1cc2c(cc1F)C(=O)CCO2 104683797 573183327 /nfs/dbraw/zinc/18/33/27/573183327.db2.gz PNAXKAMTFHONGB-UHFFFAOYSA-N 0 0 181.166 1.373 10 0 ADAERN CNC(=O)NCCCCC(C)C 125837547 573183333 /nfs/dbraw/zinc/18/33/33/573183333.db2.gz CZFLFOLAENFOCW-UHFFFAOYSA-N 0 0 172.272 1.742 10 0 ADAERN CCN1CCC[C@@H]1c1nc(C=O)co1 257961438 573183339 /nfs/dbraw/zinc/18/33/39/573183339.db2.gz GLLIQERGSUWYHV-SECBINFHSA-N 0 0 194.234 1.644 10 0 ADAERN Cc1c(N)ccc2c1CCC2=O 104682593 573183355 /nfs/dbraw/zinc/18/33/55/573183355.db2.gz WJPKNWBJSAIOAC-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN CSCC(=O)NC[C@H]1C[C@@H]1C1CC1 308294772 573183366 /nfs/dbraw/zinc/18/33/66/573183366.db2.gz HKGAGYPZAMWUFD-RKDXNWHRSA-N 0 0 199.319 1.512 10 0 ADAERN C1=C(CNc2cncnc2)COCC1 89224257 573153167 /nfs/dbraw/zinc/15/31/67/573153167.db2.gz VLNBUIMQFHHGBH-UHFFFAOYSA-N 0 0 191.234 1.235 10 0 ADAERN C[C@H](CO)Cc1ccoc1 82764705 573183394 /nfs/dbraw/zinc/18/33/94/573183394.db2.gz BRTXVASNEDMURV-ZETCQYMHSA-N 0 0 140.182 1.451 10 0 ADAERN Nc1nc(CC2CCSCC2)no1 257960921 573183395 /nfs/dbraw/zinc/18/33/95/573183395.db2.gz JIUMXUQXEXRHJK-UHFFFAOYSA-N 0 0 199.279 1.338 10 0 ADAERN CCC[C@@H](O)[C@@H]1CCCOC1 82678237 573158612 /nfs/dbraw/zinc/15/86/12/573158612.db2.gz LXJZZQVQZXTFSO-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CCC(=O)N[C@H](CC)N(F)F 238294066 573158613 /nfs/dbraw/zinc/15/86/13/573158613.db2.gz QYQCAZQAYUDINA-YFKPBYRVSA-N 0 0 166.171 1.320 10 0 ADAERN CC(C)c1cc(N)nc(CN(C)C)n1 85801011 573158618 /nfs/dbraw/zinc/15/86/18/573158618.db2.gz DHYJTFARDWHVEC-UHFFFAOYSA-N 0 0 194.282 1.244 10 0 ADAERN Cc1cccc(CC2=NCC(=O)N2)c1 235891742 573183404 /nfs/dbraw/zinc/18/34/04/573183404.db2.gz HCCUWRVCQSLWKT-UHFFFAOYSA-N 0 0 188.230 1.066 10 0 ADAERN CC(=O)[C@@H](N)c1cccc(N(C)C)c1 104683258 573183406 /nfs/dbraw/zinc/18/34/06/573183406.db2.gz TUWVBXINXWSZOC-LLVKDONJSA-N 0 0 192.262 1.341 10 0 ADAERN CCO/C=C/C(=O)N[C@@H](C)C1CC1 308294452 573183407 /nfs/dbraw/zinc/18/34/07/573183407.db2.gz HHDSSVXXEDJLCU-CZEYKFRCSA-N 0 0 183.251 1.451 10 0 ADAERN [NH3+][C@@H]1CCc2cc(C(=O)[O-])cc(F)c21 104684062 573183420 /nfs/dbraw/zinc/18/34/20/573183420.db2.gz CGMCFXKLZYPRGS-MRVPVSSYSA-N 0 0 195.193 1.470 10 0 ADAERN CC(=O)[C@@H](F)c1cccc(O)c1 258560178 573161367 /nfs/dbraw/zinc/16/13/67/573161367.db2.gz QLVDGCPSPOUVBB-SECBINFHSA-N 0 0 168.167 1.992 10 0 ADAERN c1ccn(N[C@H]2CCSC2)c1 85828652 573161369 /nfs/dbraw/zinc/16/13/69/573161369.db2.gz RTKNRSJSCCAKAJ-QMMMGPOBSA-N 0 0 168.265 1.537 10 0 ADAERN O[C@H]1CCCCC[C@H]1Nn1cccc1 85830289 573161394 /nfs/dbraw/zinc/16/13/94/573161394.db2.gz GFWJCWZOSUMLMW-MNOVXSKESA-N 0 0 194.278 1.725 10 0 ADAERN CCn1ccc(/C=C(\C)CO)c1 211895035 573161397 /nfs/dbraw/zinc/16/13/97/573161397.db2.gz FBWWIHJPGHDKCD-RMKNXTFCSA-N 0 0 165.236 1.904 10 0 ADAERN COCCCC[C@@H](C)CO 82764592 573183426 /nfs/dbraw/zinc/18/34/26/573183426.db2.gz HVCVVDUCUHRQAN-MRVPVSSYSA-N 0 0 146.230 1.432 10 0 ADAERN CSC[C@@H]1CCOC1 115333073 573183427 /nfs/dbraw/zinc/18/34/27/573183427.db2.gz VGFUWLOTIQBNNG-ZCFIWIBFSA-N 0 0 132.228 1.386 10 0 ADAERN C[C@H](C[NH2+]C1CC(C2CC2)C1)C(=O)[O-] 714641848 573183429 /nfs/dbraw/zinc/18/34/29/573183429.db2.gz WFWYSCGOXOFKKH-CUUXFQNZSA-N 0 0 197.278 1.485 10 0 ADAERN C[C@@H](Cc1cccc(F)c1)ON 259348822 573161405 /nfs/dbraw/zinc/16/14/05/573161405.db2.gz FDNJFHKAJHJTJY-ZETCQYMHSA-N 0 0 169.199 1.647 10 0 ADAERN CSCC[C@H](O)[C@H]1CCOC1 82679550 573161418 /nfs/dbraw/zinc/16/14/18/573161418.db2.gz APTCZWFUTIGOLY-YUMQZZPRSA-N 0 0 176.281 1.137 10 0 ADAERN Oc1ccccc1C1=NCCS1 115070488 573161432 /nfs/dbraw/zinc/16/14/32/573161432.db2.gz WAPGIVPBBDUIRS-UHFFFAOYSA-N 0 0 179.244 1.886 10 0 ADAERN FC1(CNCc2cc[nH]n2)CCCC1 308510890 573161433 /nfs/dbraw/zinc/16/14/33/573161433.db2.gz JMQAQDGOVICNRG-UHFFFAOYSA-N 0 0 197.257 1.782 10 0 ADAERN CC(C)(C(N)=S)C(F)(F)F 115127910 573161444 /nfs/dbraw/zinc/16/14/44/573161444.db2.gz AJRLDIHDVSWNBX-UHFFFAOYSA-N 0 0 171.187 1.861 10 0 ADAERN Cc1oc(CN)nc1C(C)(C)C 258558680 573161452 /nfs/dbraw/zinc/16/14/52/573161452.db2.gz QHJIHVUCSQKTRR-UHFFFAOYSA-N 0 0 168.240 1.739 10 0 ADAERN CO[C@H]1CNc2cc(C)ccc2C1 257954701 573161461 /nfs/dbraw/zinc/16/14/61/573161461.db2.gz WTAVJNCFWJIFRN-SNVBAGLBSA-N 0 0 177.247 1.978 10 0 ADAERN CCNn1c(C)ccc1C 85829891 573161507 /nfs/dbraw/zinc/16/15/07/573161507.db2.gz AGZWPMQAWLFAJU-UHFFFAOYSA-N 0 0 138.214 1.668 10 0 ADAERN CC(C)(C)Cc1ncnc(N)n1 82675435 573161511 /nfs/dbraw/zinc/16/15/11/573161511.db2.gz RYOVKVUQFPYNHY-UHFFFAOYSA-N 0 0 166.228 1.042 10 0 ADAERN CC[C@@H]1C[C@H](Nn2cccc2)CCO1 85828764 573161514 /nfs/dbraw/zinc/16/15/14/573161514.db2.gz RYCFPBFUAVCQHP-GHMZBOCLSA-N 0 0 194.278 1.989 10 0 ADAERN Cc1ccc([C@H](O)c2cncnc2)o1 82675749 573161533 /nfs/dbraw/zinc/16/15/33/573161533.db2.gz JLXXRFJWZAPNIG-SNVBAGLBSA-N 0 0 190.202 1.460 10 0 ADAERN CC(=O)[C@@H](N)c1cc(Cl)ccn1 104670972 573161543 /nfs/dbraw/zinc/16/15/43/573161543.db2.gz LKUQWASWYPYENV-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1CCCOC1 85830127 573161561 /nfs/dbraw/zinc/16/15/61/573161561.db2.gz NPTVKXSTZVLSHT-LLVKDONJSA-N 0 0 194.278 1.827 10 0 ADAERN [NH3+][C@@H]1CCc2ccc([S-])cc2C1 104670356 573161572 /nfs/dbraw/zinc/16/15/72/573161572.db2.gz BTRZGMHKFBUJBK-SECBINFHSA-N 0 0 179.288 1.791 10 0 ADAERN OC[C@@H]1CCc2ccc(F)cc2O1 115099580 573161577 /nfs/dbraw/zinc/16/15/77/573161577.db2.gz BPWROHPZYHYUIJ-VIFPVBQESA-N 0 0 182.194 1.512 10 0 ADAERN C[C@H](OC(=O)c1cc[nH]n1)C1CC1 308284987 573161600 /nfs/dbraw/zinc/16/16/00/573161600.db2.gz YMYUOUSKRODWNU-LURJTMIESA-N 0 0 180.207 1.365 10 0 ADAERN Oc1cc(F)ccc1OC[C@@H]1CO1 115105474 573161859 /nfs/dbraw/zinc/16/18/59/573161859.db2.gz OEJGZWLQRZJDNA-ZETCQYMHSA-N 0 0 184.166 1.309 10 0 ADAERN CC(=O)[C@@H](N)c1cc(O)ccc1C 104669484 573161901 /nfs/dbraw/zinc/16/19/01/573161901.db2.gz VPQRPEHPULCTTH-SNVBAGLBSA-N 0 0 179.219 1.289 10 0 ADAERN OCCc1cnc([C@@H]2CCSC2)o1 258238071 573183448 /nfs/dbraw/zinc/18/34/48/573183448.db2.gz VZDYWRSNRLRUOC-SSDOTTSWSA-N 0 0 199.275 1.430 10 0 ADAERN CC(=O)[C@@H](N)c1[nH]c(C)cc1C 104673499 573164220 /nfs/dbraw/zinc/16/42/20/573164220.db2.gz PYKMTZPNXPUTCI-MRVPVSSYSA-N 0 0 166.224 1.220 10 0 ADAERN C[C@@H](O)[C@H]([NH3+])c1ccccc1[S-] 104672752 573164260 /nfs/dbraw/zinc/16/42/60/573164260.db2.gz JOZXQJUTGMOFLA-MUWHJKNJSA-N 0 0 183.276 1.356 10 0 ADAERN O=c1[nH]ccc2cc(F)c(F)c(F)c12 82767318 573183458 /nfs/dbraw/zinc/18/34/58/573183458.db2.gz RVRCETYOMQANOR-UHFFFAOYSA-N 0 0 199.131 1.945 10 0 ADAERN CCc1ccc(-c2cc(N)n[nH]2)o1 85826907 573164275 /nfs/dbraw/zinc/16/42/75/573164275.db2.gz VUQPTOVURNVSFP-UHFFFAOYSA-N 0 0 177.207 1.814 10 0 ADAERN CC(C)[C@H]([NH3+])c1cnccc1C(=O)[O-] 104676519 573170246 /nfs/dbraw/zinc/17/02/46/573170246.db2.gz PJCJRJHDGIEKSW-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN Cc1cc[nH+]c(N)c1C[C@@H](C)CO 82764661 573183473 /nfs/dbraw/zinc/18/34/73/573183473.db2.gz SGLDHBPZEYEFDQ-SSDOTTSWSA-N 0 0 180.251 1.143 10 0 ADAERN O=C([O-])C[C@@]1(c2ccccc2)CC[NH2+]1 258237696 573173838 /nfs/dbraw/zinc/17/38/38/573173838.db2.gz POTJUUQHULDLPT-LLVKDONJSA-N 0 0 191.230 1.350 10 0 ADAERN O=C([O-])c1c(F)cccc1[C@H]1CC[NH2+]1 104684957 573183484 /nfs/dbraw/zinc/18/34/84/573183484.db2.gz AUNUNWNVLZHADA-MRVPVSSYSA-N 0 0 195.193 1.558 10 0 ADAERN CCc1cc(C)c2c(N)nn(C)c2n1 238305384 573183488 /nfs/dbraw/zinc/18/34/88/573183488.db2.gz RSYKMONAJFCFMU-UHFFFAOYSA-N 0 0 190.250 1.421 10 0 ADAERN Cc1cc(C(=O)CN(C)C)ccc1O 104679416 573177801 /nfs/dbraw/zinc/17/78/01/573177801.db2.gz NHPBFUXKJVFTBH-UHFFFAOYSA-N 0 0 193.246 1.445 10 0 ADAERN C[C@@H]1CC[C@@]2(CC(=O)N2)C1 82762406 573177803 /nfs/dbraw/zinc/17/78/03/573177803.db2.gz IJOOYZFJYSRRIG-SVRRBLITSA-N 0 0 139.198 1.065 10 0 ADAERN CC(C)C[C@H](O)[C@H]1CCCC[C@@H]1O 115307635 573179545 /nfs/dbraw/zinc/17/95/45/573179545.db2.gz CBAWGSXVHCATED-DCAQKATOSA-N 0 0 186.295 1.945 10 0 ADAERN CN[C@@H]([C@H]1CCC=CO1)C(F)(F)F 104681741 573179551 /nfs/dbraw/zinc/17/95/51/573179551.db2.gz VZGZNUCHZBMHLA-RQJHMYQMSA-N 0 0 195.184 1.829 10 0 ADAERN c1nc2cnncc2s1 104683557 573183505 /nfs/dbraw/zinc/18/35/05/573183505.db2.gz MJZBGRODTLGTLT-UHFFFAOYSA-N 0 0 137.167 1.086 10 0 ADAERN CCn1nc(C(C)C)cc1C=O 238305598 573183506 /nfs/dbraw/zinc/18/35/06/573183506.db2.gz KULPWEFRTYKCDQ-UHFFFAOYSA-N 0 0 166.224 1.839 10 0 ADAERN C[C@H](N)c1nnc(N(C)C2CCC2)o1 235512034 573183009 /nfs/dbraw/zinc/18/30/09/573183009.db2.gz QCRDNVWYXABTIT-LURJTMIESA-N 0 0 196.254 1.078 10 0 ADAERN O=C([O-])c1cc([C@H]2CC[NH2+]2)ccc1F 104682875 573183024 /nfs/dbraw/zinc/18/30/24/573183024.db2.gz CYIUBLYDGVHBPN-SECBINFHSA-N 0 0 195.193 1.558 10 0 ADAERN Oc1cc2c(c(F)c1F)OCCC2 115328923 573183033 /nfs/dbraw/zinc/18/30/33/573183033.db2.gz LKAROKSYQNXXBR-UHFFFAOYSA-N 0 0 186.157 1.995 10 0 ADAERN COc1cccc2c1[C@H]([C@H](C)O)CO2 257960527 573183091 /nfs/dbraw/zinc/18/30/91/573183091.db2.gz FSKZBZDMMZAVIH-YUMQZZPRSA-N 0 0 194.230 1.552 10 0 ADAERN COC(=O)/C=C\[C@@H]1CCSC1 258238149 573183096 /nfs/dbraw/zinc/18/30/96/573183096.db2.gz PUPAEHIOPIDCPP-SKRYNEFJSA-N 0 0 172.249 1.469 10 0 ADAERN C[C@H](CO)Cc1cncc(F)c1 82764714 573183153 /nfs/dbraw/zinc/18/31/53/573183153.db2.gz ACGQZTHQUDQWKA-ZETCQYMHSA-N 0 0 169.199 1.392 10 0 ADAERN CCc1cc(C)c2c(N)n[nH]c2n1 238305365 573183154 /nfs/dbraw/zinc/18/31/54/573183154.db2.gz ZHSAXQBMAVIEDK-UHFFFAOYSA-N 0 0 176.223 1.411 10 0 ADAERN CC[C@H]1CCC[C@H](CO)C1=O 238305472 573183175 /nfs/dbraw/zinc/18/31/75/573183175.db2.gz USUXDLBNRBHCMP-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN CCc1cccc2c1N[C@@H](CO)CC2 238305077 573183195 /nfs/dbraw/zinc/18/31/95/573183195.db2.gz BCOQFMCQSWSBMS-LLVKDONJSA-N 0 0 191.274 1.968 10 0 ADAERN CO[C@H]1CCOc2cc(N)ccc21 257960996 573183206 /nfs/dbraw/zinc/18/32/06/573183206.db2.gz XJMXWNHTOKUFLT-VIFPVBQESA-N 0 0 179.219 1.739 10 0 ADAERN Oc1cccc([C@@]2(O)CCOC2)c1 257962184 573183219 /nfs/dbraw/zinc/18/32/19/573183219.db2.gz XMYWAXUBAXBCJH-SNVBAGLBSA-N 0 0 180.203 1.000 10 0 ADAERN CC(C)N1C(=O)CC(C)(C)NC1=O 82770814 573183264 /nfs/dbraw/zinc/18/32/64/573183264.db2.gz NAPGQYUKMRALGF-UHFFFAOYSA-N 0 0 184.239 1.115 10 0 ADAERN COc1ccccc1-n1ccc(=O)[nH]1 142147552 573183266 /nfs/dbraw/zinc/18/32/66/573183266.db2.gz XKCRLPOFOMUDSF-UHFFFAOYSA-N 0 0 190.202 1.587 10 0 ADAERN CCON(C)C(=O)Cc1ccoc1 308294412 573183279 /nfs/dbraw/zinc/18/32/79/573183279.db2.gz HDVYJMDQZGHBGE-UHFFFAOYSA-N 0 0 183.207 1.232 10 0 ADAERN CCO[C@@H]1C(=O)[C@H]2CCC[C@@H]21 238305519 573183281 /nfs/dbraw/zinc/18/32/81/573183281.db2.gz ZHDYRGLPRDUAMJ-ZKWXMUAHSA-N 0 0 154.209 1.391 10 0 ADAERN CC[C@H](C)SC(=O)NC 104695692 573196240 /nfs/dbraw/zinc/19/62/40/573196240.db2.gz MSEHKESHZWVAQE-YFKPBYRVSA-N 0 0 147.243 1.858 10 0 ADAERN CCc1c(O)cc(O)c(C=O)c1O 238302666 573195277 /nfs/dbraw/zinc/19/52/77/573195277.db2.gz CXGWSOHOXWHQJF-UHFFFAOYSA-N 0 0 182.175 1.178 10 0 ADAERN CCC[C@H]1C=CCC(=O)N1 104695203 573195291 /nfs/dbraw/zinc/19/52/91/573195291.db2.gz WHRTUXJQEZAQGH-ZETCQYMHSA-N 0 0 139.198 1.231 10 0 ADAERN CC[C@]1(Cl)O[C@]1(C)C(C)=O 238310452 573195293 /nfs/dbraw/zinc/19/52/93/573195293.db2.gz ZJELXTUFHLOFQU-RQJHMYQMSA-N 0 0 162.616 1.709 10 0 ADAERN c1cc2snnc2[nH]1 104694195 573195298 /nfs/dbraw/zinc/19/52/98/573195298.db2.gz BKEJQHMFJCUTKL-UHFFFAOYSA-N 0 0 125.156 1.019 10 0 ADAERN C[C@@H]1CC(=N)N=NC1C1CCCC1 82786942 573195299 /nfs/dbraw/zinc/19/52/99/573195299.db2.gz OXFDJEIHUPIOGK-SSDOTTSWSA-N 0 0 179.267 1.930 10 0 ADAERN CC(C)C1N=NC(=N)C[C@H]1C 82787016 573195303 /nfs/dbraw/zinc/19/53/03/573195303.db2.gz UDLQRSICMIDNOD-ZCFIWIBFSA-N 0 0 153.229 1.395 10 0 ADAERN C[C@@H]1CC(C2CC2)N=NC1=N 82787183 573195320 /nfs/dbraw/zinc/19/53/20/573195320.db2.gz MGVRARGBXSKVTM-RXMQYKEDSA-N 0 0 151.213 1.149 10 0 ADAERN C[C@H]1CCn2cncc2C1=O 115418773 573195324 /nfs/dbraw/zinc/19/53/24/573195324.db2.gz LSUZSPHQZDDTRH-LURJTMIESA-N 0 0 150.181 1.106 10 0 ADAERN CC[C@@H](C(C)=O)[C@H](O)C(C)C 224850891 573195325 /nfs/dbraw/zinc/19/53/25/573195325.db2.gz TVXPWOKYRHWWFG-DTWKUNHWSA-N 0 0 158.241 1.619 10 0 ADAERN C[C@H]1CC(c2cccnc2)=NNC1=N 82787248 573195349 /nfs/dbraw/zinc/19/53/49/573195349.db2.gz PIBAWKCGFVUWMF-ZETCQYMHSA-N 0 0 188.234 1.183 10 0 ADAERN CCOC(=O)[C@@H](N)c1ccc(C)o1 259364882 573195351 /nfs/dbraw/zinc/19/53/51/573195351.db2.gz KHVQSFRPUFCUAI-QMMMGPOBSA-N 0 0 183.207 1.151 10 0 ADAERN C[C@H]1CC(C2CC2)N=NC1=N 82787185 573195367 /nfs/dbraw/zinc/19/53/67/573195367.db2.gz MGVRARGBXSKVTM-YFKPBYRVSA-N 0 0 151.213 1.149 10 0 ADAERN C[C@@H]1C[C@@H](C)C(=S)N1 104694830 573195372 /nfs/dbraw/zinc/19/53/72/573195372.db2.gz SZHLSGUQQCNZLZ-RFZPGFLSSA-N 0 0 129.228 1.332 10 0 ADAERN CC[C@]1(Cl)CC=NC(=S)N1 238310377 573195376 /nfs/dbraw/zinc/19/53/76/573195376.db2.gz GXFYIBIOIJQXLL-ZCFIWIBFSA-N 0 0 176.672 1.734 10 0 ADAERN C[C@@H]1CC(=N)N=NC1[C@@H]1CCCOC1 82787064 573195408 /nfs/dbraw/zinc/19/54/08/573195408.db2.gz FNOQOMWEXUZHCF-HTQZYQBOSA-N 0 0 195.266 1.166 10 0 ADAERN C[C@]1(OC(=O)CC2CC2)CCOC1 308301157 573195418 /nfs/dbraw/zinc/19/54/18/573195418.db2.gz MAFLOPSPCHJWGY-JTQLQIEISA-N 0 0 184.235 1.509 10 0 ADAERN N=C1CCC(c2ccccc2)=NN1 82786737 573195419 /nfs/dbraw/zinc/19/54/19/573195419.db2.gz UVJKKHWFVVSTPU-UHFFFAOYSA-N 0 0 173.219 1.542 10 0 ADAERN O=C1CN=C2NC=CC=C12 104692981 573195429 /nfs/dbraw/zinc/19/54/29/573195429.db2.gz NVHACOHMMJMOCC-UHFFFAOYSA-N 0 0 134.138 1.269 10 0 ADAERN CCOC(=S)SCCO 238302444 573195435 /nfs/dbraw/zinc/19/54/35/573195435.db2.gz BEXZXNJGPAPHJG-UHFFFAOYSA-N 0 0 166.267 1.033 10 0 ADAERN C[C@H]1CC(=N)N=NC1C1CCCC1 82786943 573195441 /nfs/dbraw/zinc/19/54/41/573195441.db2.gz OXFDJEIHUPIOGK-ZETCQYMHSA-N 0 0 179.267 1.930 10 0 ADAERN CC[C@@H](C)n1cc(OC(=O)NC)cn1 77922651 573195457 /nfs/dbraw/zinc/19/54/57/573195457.db2.gz NXQSLIIHULRVEI-SSDOTTSWSA-N 0 0 197.238 1.572 10 0 ADAERN OCC1SCCCS1 115463957 573195491 /nfs/dbraw/zinc/19/54/91/573195491.db2.gz WXBUDSQBDYQBRN-UHFFFAOYSA-N 0 0 150.268 1.175 10 0 ADAERN CC(C)C1C[C@@H](C)C(=N)N=N1 82787263 573195494 /nfs/dbraw/zinc/19/54/94/573195494.db2.gz HPVPGKBUJWFKDQ-ZCFIWIBFSA-N 0 0 153.229 1.395 10 0 ADAERN CCSCCNn1cccc1 129023271 573195500 /nfs/dbraw/zinc/19/55/00/573195500.db2.gz WOOZWQXUUWMUCN-UHFFFAOYSA-N 0 0 170.281 1.785 10 0 ADAERN CSCc1nc2c(N)cccn2n1 258577825 573195502 /nfs/dbraw/zinc/19/55/02/573195502.db2.gz QLHFWGZMWSDRGT-UHFFFAOYSA-N 0 0 194.263 1.175 10 0 ADAERN OCc1nc(-c2cc[nH]c2)cs1 259364558 573195508 /nfs/dbraw/zinc/19/55/08/573195508.db2.gz UZXMUXAHRWRNLY-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN CO[C@]1(C)CCCC(=O)C1 224849361 573195509 /nfs/dbraw/zinc/19/55/09/573195509.db2.gz VEHCNNTZOBEOEK-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN CO[C@@]1(C)CCCC(=O)C1 224849314 573195541 /nfs/dbraw/zinc/19/55/41/573195541.db2.gz VEHCNNTZOBEOEK-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN O=C1CCC(O[C@H]2CCCOC2)CC1 224856013 573195544 /nfs/dbraw/zinc/19/55/44/573195544.db2.gz HTNJFMWRXGXGQY-NSHDSACASA-N 0 0 198.262 1.694 10 0 ADAERN C/C=C/CCC(=S)NC 104695636 573195554 /nfs/dbraw/zinc/19/55/54/573195554.db2.gz SXLKXPMXDZSPNN-ONEGZZNKSA-N 0 0 143.255 1.890 10 0 ADAERN CNC(=O)Oc1ccc2c(c1)OCC2 238302877 573195575 /nfs/dbraw/zinc/19/55/75/573195575.db2.gz IONZLGLGDFELSI-UHFFFAOYSA-N 0 0 193.202 1.340 10 0 ADAERN CC[C@@H](C)SC(=O)NC 104695690 573195586 /nfs/dbraw/zinc/19/55/86/573195586.db2.gz MSEHKESHZWVAQE-RXMQYKEDSA-N 0 0 147.243 1.858 10 0 ADAERN CC[C@@H](C)C1C[C@@H](C)C(=N)N=N1 82787229 573195604 /nfs/dbraw/zinc/19/56/04/573195604.db2.gz XJRAORYWLGGCJH-RNFRBKRXSA-N 0 0 167.256 1.786 10 0 ADAERN CC1(n2c(N)n[nH]c2=S)CCCC1 82785741 573195618 /nfs/dbraw/zinc/19/56/18/573195618.db2.gz BMSJUEZCYCVTOY-UHFFFAOYSA-N 0 0 198.295 1.812 10 0 ADAERN CCc1ccc(C(=N)NO)nc1C 115415006 573195645 /nfs/dbraw/zinc/19/56/45/573195645.db2.gz SZFOLLZQFYOPHK-UHFFFAOYSA-N 0 0 179.223 1.257 10 0 ADAERN OCCc1c(Cl)ccc2c1CCO2 258238535 573195653 /nfs/dbraw/zinc/19/56/53/573195653.db2.gz WNIBQXCYTQSLAL-UHFFFAOYSA-N 0 0 198.649 1.810 10 0 ADAERN COC(=O)CC1=CC[C@H](O)CC1 115443848 573195705 /nfs/dbraw/zinc/19/57/05/573195705.db2.gz LHKZZGQEXIVZSB-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN Cc1ccc2ccc(N)c(=O)n2c1 259603168 573195738 /nfs/dbraw/zinc/19/57/38/573195738.db2.gz DEQYCFKCUSASNP-UHFFFAOYSA-N 0 0 174.203 1.190 10 0 ADAERN CC(C)C1N=NC(=N)C[C@@H]1C 82787018 573195769 /nfs/dbraw/zinc/19/57/69/573195769.db2.gz UDLQRSICMIDNOD-LURJTMIESA-N 0 0 153.229 1.395 10 0 ADAERN CC[C@H](O)[C@@H](C)/C=C(/C)CO 238310141 573195799 /nfs/dbraw/zinc/19/57/99/573195799.db2.gz ZCSKVIPGEXOGHQ-SISDLMPYSA-N 0 0 158.241 1.332 10 0 ADAERN CNc1onc2c1CCC2 104696178 573195800 /nfs/dbraw/zinc/19/58/00/573195800.db2.gz RUHKWYLIMLOYFE-UHFFFAOYSA-N 0 0 138.170 1.205 10 0 ADAERN Cn1cc2cc(Cl)c(N)cc2n1 259364560 573195852 /nfs/dbraw/zinc/19/58/52/573195852.db2.gz IWSABICWRZUQPK-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN COC(=O)CC1=CC[C@@H](O)CC1 115443846 573195859 /nfs/dbraw/zinc/19/58/59/573195859.db2.gz LHKZZGQEXIVZSB-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN CN(C)c1cc(O)cc(O)c1F 238310076 573195861 /nfs/dbraw/zinc/19/58/61/573195861.db2.gz WJKGNCNZNFDSRX-UHFFFAOYSA-N 0 0 171.171 1.303 10 0 ADAERN CC[C@H]1CC[C@](C)(O)[C@@H]1C(C)=O 238310230 573195874 /nfs/dbraw/zinc/19/58/74/573195874.db2.gz DGOYXPZXLGKPEE-AEJSXWLSSA-N 0 0 170.252 1.763 10 0 ADAERN O=C1CC[C@@H]2c3ccccc3C[C@H]2N1 115506004 573195888 /nfs/dbraw/zinc/19/58/88/573195888.db2.gz JNSDPHBOQXVNJG-GHMZBOCLSA-N 0 0 187.242 1.605 10 0 ADAERN CC[C@H]1CC(=N)N=NC1C1CC1 82786784 573195950 /nfs/dbraw/zinc/19/59/50/573195950.db2.gz BRHYLINRIRJVSG-LURJTMIESA-N 0 0 165.240 1.540 10 0 ADAERN N#CN[C@H]1C[C@@H]2C=C[C@H]1C2 104695121 573195955 /nfs/dbraw/zinc/19/59/55/573195955.db2.gz GKKQTUPGAOBKLU-CSMHCCOUSA-N 0 0 134.182 1.022 10 0 ADAERN C[C@@H]1CC(=N)N=NC1[C@H]1CCCOC1 82787068 573195989 /nfs/dbraw/zinc/19/59/89/573195989.db2.gz FNOQOMWEXUZHCF-SFYZADRCSA-N 0 0 195.266 1.166 10 0 ADAERN CC[C@H]1CN[C@@H](C(F)(F)F)CO1 238314180 573196014 /nfs/dbraw/zinc/19/60/14/573196014.db2.gz QTAKHJUTSLQNRI-NTSWFWBYSA-N 0 0 183.173 1.316 10 0 ADAERN CCCc1ccc(OC)nn1 259364699 573196020 /nfs/dbraw/zinc/19/60/20/573196020.db2.gz HACBYBPSNHTLFL-UHFFFAOYSA-N 0 0 152.197 1.438 10 0 ADAERN C[N@@H+]1CCC=C(CC(C)(C)C(=O)[O-])C1 257966713 573196050 /nfs/dbraw/zinc/19/60/50/573196050.db2.gz GDBNUNZENQJXIH-UHFFFAOYSA-N 0 0 197.278 1.749 10 0 ADAERN NCc1nc(C(F)(F)F)co1 225835199 573196061 /nfs/dbraw/zinc/19/60/61/573196061.db2.gz LWYQHCFMXNBKPG-UHFFFAOYSA-N 0 0 166.102 1.152 10 0 ADAERN CN1CCN(c2cccc(F)c2)C1=O 259365574 573196082 /nfs/dbraw/zinc/19/60/82/573196082.db2.gz UUFHPBFGKOBCLI-UHFFFAOYSA-N 0 0 194.209 1.698 10 0 ADAERN C[C@H]1CC(=N)N=NC1[C@H]1CCCOC1 82787071 573196088 /nfs/dbraw/zinc/19/60/88/573196088.db2.gz FNOQOMWEXUZHCF-YUMQZZPRSA-N 0 0 195.266 1.166 10 0 ADAERN CC[C@H](C)C1C[C@H](C)C(=N)N=N1 82787235 573196111 /nfs/dbraw/zinc/19/61/11/573196111.db2.gz XJRAORYWLGGCJH-BQBZGAKWSA-N 0 0 167.256 1.786 10 0 ADAERN CCc1c(O)cc(O)c(C)c1O 238302649 573196124 /nfs/dbraw/zinc/19/61/24/573196124.db2.gz YMRCASGOSVLTHY-UHFFFAOYSA-N 0 0 168.192 1.674 10 0 ADAERN C[C@]1(CO)CCCC(=O)C1 224849076 573196144 /nfs/dbraw/zinc/19/61/44/573196144.db2.gz ZBFVTBCCYGRCOE-QMMMGPOBSA-N 0 0 142.198 1.128 10 0 ADAERN N=C1CCC(c2cccc(F)c2)=NN1 82786739 573196146 /nfs/dbraw/zinc/19/61/46/573196146.db2.gz IOIFZHAIKYTUSR-UHFFFAOYSA-N 0 0 191.209 1.681 10 0 ADAERN COc1ccc2c(c1)N[C@@H]1C[C@H]21 257967599 573196154 /nfs/dbraw/zinc/19/61/54/573196154.db2.gz VITIYRKLEFLHPD-PSASIEDQSA-N 0 0 161.204 1.977 10 0 ADAERN CC1(n2c(=O)[nH][nH]c2=S)CCCC1 82785703 573196160 /nfs/dbraw/zinc/19/61/60/573196160.db2.gz KVTDCEQQEKQPMN-UHFFFAOYSA-N 0 0 199.279 1.523 10 0 ADAERN C[C@@H](O)c1cccc2c1CCO2 257965870 573196162 /nfs/dbraw/zinc/19/61/62/573196162.db2.gz TVIHELCPAFIPET-SSDOTTSWSA-N 0 0 164.204 1.675 10 0 ADAERN CCO[P@@](=O)([O-])[C@@H]([NH3+])C(C)C 238310383 573196164 /nfs/dbraw/zinc/19/61/64/573196164.db2.gz GOILIDNQVGUPKN-ZCFIWIBFSA-N 0 0 181.172 1.149 10 0 ADAERN C[C@@H](O)Cc1cnc(C2CCC2)o1 257967654 573196169 /nfs/dbraw/zinc/19/61/69/573196169.db2.gz GTRACWYPKMVLGT-SSDOTTSWSA-N 0 0 181.235 1.865 10 0 ADAERN CCO[P@@](=O)([O-])[C@H]([NH3+])C(C)C 238310454 573196201 /nfs/dbraw/zinc/19/62/01/573196201.db2.gz GOILIDNQVGUPKN-LURJTMIESA-N 0 0 181.172 1.149 10 0 ADAERN c1nc2c(cc1C1CC1)NCCO2 115450471 573196209 /nfs/dbraw/zinc/19/62/09/573196209.db2.gz GKRNXYYEQLARRF-UHFFFAOYSA-N 0 0 176.219 1.763 10 0 ADAERN Cn1ncc2cccc(C3(O)CC3)c21 257966979 573196210 /nfs/dbraw/zinc/19/62/10/573196210.db2.gz CGZNQTXUFVOGJQ-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN CCn1nnnc1-c1ccccc1O 238310422 573196212 /nfs/dbraw/zinc/19/62/12/573196212.db2.gz OBDQTZIKCGYAQM-UHFFFAOYSA-N 0 0 190.206 1.066 10 0 ADAERN O=C1COc2ncc(C3CC3)cc2N1 115452561 573196237 /nfs/dbraw/zinc/19/62/37/573196237.db2.gz YYVOMFRGGZFFAK-UHFFFAOYSA-N 0 0 190.202 1.290 10 0 ADAERN [NH3+][C@@H]1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 257971926 573212485 /nfs/dbraw/zinc/21/24/85/573212485.db2.gz YRLRDRFOOATAKE-XKSSXDPKSA-N 0 0 183.251 1.369 10 0 ADAERN CCC1=CNC(=O)[C@@H]1C 104717214 573212497 /nfs/dbraw/zinc/21/24/97/573212497.db2.gz PUQMODGXYOQROG-RXMQYKEDSA-N 0 0 125.171 1.046 10 0 ADAERN Nc1cc(F)c2cnoc2c1 259376683 573212500 /nfs/dbraw/zinc/21/25/00/573212500.db2.gz JRSSTBLSCKWLMX-UHFFFAOYSA-N 0 0 152.128 1.549 10 0 ADAERN CCN(C)C(=O)Nc1ccncc1N 85964790 573212501 /nfs/dbraw/zinc/21/25/01/573212501.db2.gz APDMNTOKSHUIJS-UHFFFAOYSA-N 0 0 194.238 1.147 10 0 ADAERN Cc1nc2cc[nH]c2s1 104709905 573212502 /nfs/dbraw/zinc/21/25/02/573212502.db2.gz GALAGILRUUHKPU-UHFFFAOYSA-N 0 0 138.195 1.933 10 0 ADAERN CCS[C@H]1NC=CN1C 104715462 573212526 /nfs/dbraw/zinc/21/25/26/573212526.db2.gz RFUCSKXRQZGYGD-LURJTMIESA-N 0 0 144.243 1.029 10 0 ADAERN CC1=CCC(=O)C1(C)C 115724719 573212533 /nfs/dbraw/zinc/21/25/33/573212533.db2.gz NYQGWGPJHCJZSF-UHFFFAOYSA-N 0 0 124.183 1.932 10 0 ADAERN Cc1nccn1[C@@H](C)C[C@@H](C)O 82815301 573211638 /nfs/dbraw/zinc/21/16/38/573211638.db2.gz NRPGATKBOIHTHZ-JGVFFNPUSA-N 0 0 168.240 1.523 10 0 ADAERN CC[C@H]1CCO[C@@H](O)C1 238306807 573212542 /nfs/dbraw/zinc/21/25/42/573212542.db2.gz YPKOYFXSPVHZEM-NKWVEPMBSA-N 0 0 130.187 1.141 10 0 ADAERN CCO[P@H](=O)[C@@H]1CCCO1 238307526 573211649 /nfs/dbraw/zinc/21/16/49/573211649.db2.gz OKUKCRVSXYVLJU-ZCFIWIBFSA-N 0 0 164.141 1.634 10 0 ADAERN CC[C@H](CO)N(Cl)Cl 238307531 573211686 /nfs/dbraw/zinc/21/16/86/573211686.db2.gz YNVVUKQTBOZGIJ-SCSAIBSYSA-N 0 0 158.028 1.367 10 0 ADAERN C/C(=C\[C@@H]1CCC[N@@H+](C)C1)C(=O)[O-] 259376372 573211691 /nfs/dbraw/zinc/21/16/91/573211691.db2.gz QXPHHAJDBPEDLX-ORZBULNSSA-N 0 0 183.251 1.359 10 0 ADAERN C[C@@H](C[C@@H](C)O)OC1CCC1 82815582 573211702 /nfs/dbraw/zinc/21/17/02/573211702.db2.gz ZMZISPKRBUWRFN-SFYZADRCSA-N 0 0 158.241 1.715 10 0 ADAERN CN1CCc2ccc(Cl)nc21 238313878 573211716 /nfs/dbraw/zinc/21/17/16/573211716.db2.gz VYNKJAZHCLCVOO-UHFFFAOYSA-N 0 0 168.627 1.727 10 0 ADAERN OCc1ncoc1C1CCCC1 85942623 573211721 /nfs/dbraw/zinc/21/17/21/573211721.db2.gz YIAYVJPMHSIVJP-UHFFFAOYSA-N 0 0 167.208 1.825 10 0 ADAERN COCc1ccccc1CNO 132103623 573211726 /nfs/dbraw/zinc/21/17/26/573211726.db2.gz QRPHJWZNURGJOS-UHFFFAOYSA-N 0 0 167.208 1.312 10 0 ADAERN C/C=C(/CC)C(=O)N(C)CCCO 308308553 573211735 /nfs/dbraw/zinc/21/17/35/573211735.db2.gz PRDBRCIOLDZPAV-WTKPLQERSA-N 0 0 185.267 1.184 10 0 ADAERN COC(=O)/C(C)=C/c1ccc(N)cc1 115684547 573211752 /nfs/dbraw/zinc/21/17/52/573211752.db2.gz MXMQNLDJVNJNSO-BQYQJAHWSA-N 0 0 191.230 1.845 10 0 ADAERN C/C=C\CN[C@H](C)C(=O)OCC 219380980 573211770 /nfs/dbraw/zinc/21/17/70/573211770.db2.gz IKLJIBLJNRIGCY-RZAAKKIOSA-N 0 0 171.240 1.104 10 0 ADAERN CCSCc1cc(N)n(C)n1 257971195 573211785 /nfs/dbraw/zinc/21/17/85/573211785.db2.gz VRKKRKYUFIJRMB-UHFFFAOYSA-N 0 0 171.269 1.255 10 0 ADAERN CCc1cccc2c(=O)[nH]c(=O)oc12 238307112 573211794 /nfs/dbraw/zinc/21/17/94/573211794.db2.gz MJEWESGSXCTICB-UHFFFAOYSA-N 0 0 191.186 1.044 10 0 ADAERN C[C@H](O)C(=O)O[C@H]1CCCC[C@@H]1C 115724858 573211796 /nfs/dbraw/zinc/21/17/96/573211796.db2.gz ZLMORGKRXPNOBO-CIUDSAMLSA-N 0 0 186.251 1.489 10 0 ADAERN CC[C@@H]1NC(=S)[C@@H]1CC 104711646 573211836 /nfs/dbraw/zinc/21/18/36/573211836.db2.gz GAVXDGVJSIAUFR-RITPCOANSA-N 0 0 143.255 1.722 10 0 ADAERN O[C@@H](CC1CC1)[C@@H]1CCCCO1 123849696 573211860 /nfs/dbraw/zinc/21/18/60/573211860.db2.gz WZENCANFJADPFP-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1nc(C)n([C@@H](C)C[C@H](C)O)n1 82815348 573211868 /nfs/dbraw/zinc/21/18/68/573211868.db2.gz KSOFIPQXJLAJET-BQBZGAKWSA-N 0 0 183.255 1.227 10 0 ADAERN CCC[N@@H+]1CCC[C@H](C(=O)[O-])C1(C)C 259376443 573211930 /nfs/dbraw/zinc/21/19/30/573211930.db2.gz KYOXFVONQCDNEA-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCc1ccc(-c2ocnc2CO)o1 85942675 573211944 /nfs/dbraw/zinc/21/19/44/573211944.db2.gz UGYQJFIDHDIUCO-UHFFFAOYSA-N 0 0 193.202 1.989 10 0 ADAERN Cc1nc2c(C)c[nH]c2o1 104710780 573211960 /nfs/dbraw/zinc/21/19/60/573211960.db2.gz ITBAFRGQIRXOPX-UHFFFAOYSA-N 0 0 136.154 1.773 10 0 ADAERN [NH3+][C@@H]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 257971920 573211962 /nfs/dbraw/zinc/21/19/62/573211962.db2.gz YRLRDRFOOATAKE-NQMVMOMDSA-N 0 0 183.251 1.369 10 0 ADAERN CCc1cc([C@H]([NH3+])C(=O)[O-])ccc1F 257971033 573211969 /nfs/dbraw/zinc/21/19/69/573211969.db2.gz CVBWDHPBUVCPCR-VIFPVBQESA-N 0 0 197.209 1.473 10 0 ADAERN C[C@H](O)C[C@H](C)n1ccnc1 82815299 573211973 /nfs/dbraw/zinc/21/19/73/573211973.db2.gz KEEVZAPORRRNOV-YUMQZZPRSA-N 0 0 154.213 1.215 10 0 ADAERN COC[C@@]1(C)Cc2cc(O)ccc2N1 257971654 573211979 /nfs/dbraw/zinc/21/19/79/573211979.db2.gz ADBPKAFFGFSNLV-LLVKDONJSA-N 0 0 193.246 1.765 10 0 ADAERN COCc1cc(CNO)ccc1OC 257971022 573211984 /nfs/dbraw/zinc/21/19/84/573211984.db2.gz CUZPSAPKZNTVBP-UHFFFAOYSA-N 0 0 197.234 1.320 10 0 ADAERN C[C@H](O)C[C@H](C)c1ccnn1C 82811262 573212003 /nfs/dbraw/zinc/21/20/03/573212003.db2.gz GMBMSTMMTAEOLR-YUMQZZPRSA-N 0 0 168.240 1.295 10 0 ADAERN CC[C@]1(C)OC(=N)C=C1NC 238306794 573212008 /nfs/dbraw/zinc/21/20/08/573212008.db2.gz SFIMJHDBSFNRQY-QMMMGPOBSA-N 0 0 154.213 1.266 10 0 ADAERN CC(=O)COc1ccccc1C(C)=O 71686599 573212038 /nfs/dbraw/zinc/21/20/38/573212038.db2.gz WGQGJNMVNLCZRN-UHFFFAOYSA-N 0 0 192.214 1.857 10 0 ADAERN Cc1noc(NCC2(O)CCCC2)n1 235963935 573212042 /nfs/dbraw/zinc/21/20/42/573212042.db2.gz MOIYKWXVHDMRPY-UHFFFAOYSA-N 0 0 197.238 1.095 10 0 ADAERN Cc1noc([C@@H]2NCCCC2(C)C)n1 235968503 573212103 /nfs/dbraw/zinc/21/21/03/573212103.db2.gz DRXAVDHBHSGMJQ-QMMMGPOBSA-N 0 0 195.266 1.829 10 0 ADAERN CCO[C@]12CCC[C@H]1SC(N)=N2 238307082 573212122 /nfs/dbraw/zinc/21/21/22/573212122.db2.gz DHMZCICPEDHKAC-HTRCEHHLSA-N 0 0 186.280 1.333 10 0 ADAERN COCc1cccc(CNO)c1 132101266 573212123 /nfs/dbraw/zinc/21/21/23/573212123.db2.gz IFGKKCFBGUSDHW-UHFFFAOYSA-N 0 0 167.208 1.312 10 0 ADAERN ONCc1c(F)cc2cc[nH]c2c1F 257972802 573212141 /nfs/dbraw/zinc/21/21/41/573212141.db2.gz CYYFOIJRHKOBDP-UHFFFAOYSA-N 0 0 198.172 1.925 10 0 ADAERN CCC1=CNC(=O)[C@H]1C 104717217 573212153 /nfs/dbraw/zinc/21/21/53/573212153.db2.gz PUQMODGXYOQROG-YFKPBYRVSA-N 0 0 125.171 1.046 10 0 ADAERN Cc1nc(NCC2(C)CC2)cc(N)[nH+]1 235972129 573212161 /nfs/dbraw/zinc/21/21/61/573212161.db2.gz WCSFYPAHKFRMHQ-UHFFFAOYSA-N 0 0 192.266 1.579 10 0 ADAERN NOCCc1cccc(F)c1CF 257972783 573212213 /nfs/dbraw/zinc/21/22/13/573212213.db2.gz CXZDJSSXUWGYCC-UHFFFAOYSA-N 0 0 187.189 1.728 10 0 ADAERN C[C@H](CCC1=CCC[NH2+]C1)C(=O)[O-] 257972305 573212218 /nfs/dbraw/zinc/21/22/18/573212218.db2.gz GNHWVJSUUWDHTI-MRVPVSSYSA-N 0 0 183.251 1.407 10 0 ADAERN Nc1scnc1CN1CCCC1 257971346 573212225 /nfs/dbraw/zinc/21/22/25/573212225.db2.gz VVRJBRWTYPYRNN-UHFFFAOYSA-N 0 0 183.280 1.321 10 0 ADAERN ONCc1c(F)c(F)cc(F)c1F 257971028 573212241 /nfs/dbraw/zinc/21/22/41/573212241.db2.gz CVAUBNMKJAWSQK-UHFFFAOYSA-N 0 0 195.115 1.722 10 0 ADAERN CN(C)C(=O)NC[C@@]12C=C[C@@H](CC1)C2 238306938 573212254 /nfs/dbraw/zinc/21/22/54/573212254.db2.gz SMHYJLSTLYBDIC-ONGXEEELSA-N 0 0 194.278 1.614 10 0 ADAERN CC(=O)C(=O)NCc1cccc(F)c1 259036502 573212290 /nfs/dbraw/zinc/21/22/90/573212290.db2.gz URQLNSUVQIMAHT-UHFFFAOYSA-N 0 0 195.193 1.031 10 0 ADAERN Cc1ccccc1O[C@H]1COC[C@H]1O 687956484 573212291 /nfs/dbraw/zinc/21/22/91/573212291.db2.gz UXLXOVZUMDOFMA-KOLCDFICSA-N 0 0 194.230 1.134 10 0 ADAERN Clc1ccc([C@H]2CNOC2)cc1 257971908 573212295 /nfs/dbraw/zinc/21/22/95/573212295.db2.gz YRCVPUNLDYICPH-QMMMGPOBSA-N 0 0 183.638 1.958 10 0 ADAERN O=C1Cc2[nH]ccc2N1 104710886 573212302 /nfs/dbraw/zinc/21/23/02/573212302.db2.gz RITSPRQAZNMSIQ-UHFFFAOYSA-N 0 0 122.127 1.202 10 0 ADAERN Cc1ccc(CF)cc1CCO 257971411 573212309 /nfs/dbraw/zinc/21/23/09/573212309.db2.gz IITPPJLXYCYJKM-UHFFFAOYSA-N 0 0 168.211 1.999 10 0 ADAERN COCCc1nccs1 115726424 573212330 /nfs/dbraw/zinc/21/23/30/573212330.db2.gz LKEFSGCEPNSMJY-UHFFFAOYSA-N 0 0 143.211 1.332 10 0 ADAERN CNN1Cc2ccc(Cl)cc2C1=O 238306993 573212336 /nfs/dbraw/zinc/21/23/36/573212336.db2.gz TWHFXEKZQRFEEC-UHFFFAOYSA-N 0 0 196.637 1.430 10 0 ADAERN C[C@@H](C[C@@H](C)O)n1cccc1 123842731 573212342 /nfs/dbraw/zinc/21/23/42/573212342.db2.gz IEMWTPZASCQNHG-DTWKUNHWSA-N 0 0 153.225 1.820 10 0 ADAERN C[C@@H](O)/C=C/COC(=O)C(C)(C)C 219392418 573212344 /nfs/dbraw/zinc/21/23/44/573212344.db2.gz RYVKFUPKZNTGHU-HQZHTGGTSA-N 0 0 186.251 1.513 10 0 ADAERN C/C=C(C)/C=C\C(=O)N[C@H](C)CO 308309131 573212345 /nfs/dbraw/zinc/21/23/45/573212345.db2.gz QATFJZGDYBMPAU-XYKKWEGESA-N 0 0 183.251 1.006 10 0 ADAERN OCc1cnoc1C1CCCC1 259372921 573212347 /nfs/dbraw/zinc/21/23/47/573212347.db2.gz VNSAIITZGLYGAC-UHFFFAOYSA-N 0 0 167.208 1.825 10 0 ADAERN CC[C@]1(C)OCC(=O)[C@@H]1C 238307248 573212348 /nfs/dbraw/zinc/21/23/48/573212348.db2.gz CUGYRADNNFQGPQ-XPUUQOCRSA-N 0 0 142.198 1.391 10 0 ADAERN C[C@H](O)Cc1ccc(CCCO)cc1 257971082 573212351 /nfs/dbraw/zinc/21/23/51/573212351.db2.gz CWBCJWDXCDTNDJ-JTQLQIEISA-N 0 0 194.274 1.535 10 0 ADAERN CCO[C@]12CCC[C@@H]1SC(N)=N2 238307057 573212366 /nfs/dbraw/zinc/21/23/66/573212366.db2.gz DHMZCICPEDHKAC-POYBYMJQSA-N 0 0 186.280 1.333 10 0 ADAERN Cc1ccccc1O[C@@H]1COC[C@@H]1O 687956482 573212370 /nfs/dbraw/zinc/21/23/70/573212370.db2.gz UXLXOVZUMDOFMA-GXSJLCMTSA-N 0 0 194.230 1.134 10 0 ADAERN C[C@@H](O)c1cc(F)ccc1C=O 257972760 573212372 /nfs/dbraw/zinc/21/23/72/573212372.db2.gz IPZVTTKVANGVMQ-ZCFIWIBFSA-N 0 0 168.167 1.692 10 0 ADAERN COc1cc(F)c(O)cc1CCO 257972817 573212388 /nfs/dbraw/zinc/21/23/88/573212388.db2.gz CZRZNGJGILUXLA-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN CCO[C@]1(Cl)CCCC[C@H]1O 238306791 573212390 /nfs/dbraw/zinc/21/23/90/573212390.db2.gz NEYZQJZVDVPDFF-HTQZYQBOSA-N 0 0 178.659 1.893 10 0 ADAERN CC(C)ONC[C@@]1(C)C[C@@H]1C 714650240 573212402 /nfs/dbraw/zinc/21/24/02/573212402.db2.gz BAKMECMOHKHINW-DTWKUNHWSA-N 0 0 157.257 1.962 10 0 ADAERN CSCCNC(C)=S 104710789 573212405 /nfs/dbraw/zinc/21/24/05/573212405.db2.gz IPVGMZQEQIACJF-UHFFFAOYSA-N 0 0 149.284 1.286 10 0 ADAERN Cc1ncccc1[C@@H](O)[C@@H](O)C(C)C 715258971 573212424 /nfs/dbraw/zinc/21/24/24/573212424.db2.gz BXWLLUUUBVGOIZ-WDEREUQCSA-N 0 0 195.262 1.440 10 0 ADAERN Cc1ccccc1O[C@H]1COC[C@@H]1O 687956488 573215546 /nfs/dbraw/zinc/21/55/46/573215546.db2.gz UXLXOVZUMDOFMA-ONGXEEELSA-N 0 0 194.230 1.134 10 0 ADAERN Cc1ncccc1[C@@H](O)[C@H](O)C(C)C 715258967 573215551 /nfs/dbraw/zinc/21/55/51/573215551.db2.gz BXWLLUUUBVGOIZ-GHMZBOCLSA-N 0 0 195.262 1.440 10 0 ADAERN CCCCNC(=O)N=O 104724540 573215561 /nfs/dbraw/zinc/21/55/61/573215561.db2.gz LHRMUDURTQMUOA-UHFFFAOYSA-N 0 0 130.147 1.263 10 0 ADAERN CC[C@@]1(CO)Cc2c(F)cccc2N1 257974073 573215567 /nfs/dbraw/zinc/21/55/67/573215567.db2.gz AFGRTTGIGUILLS-NSHDSACASA-N 0 0 195.237 1.935 10 0 ADAERN CO[C@H](CO)Cc1ccc(F)cc1 257973057 573215587 /nfs/dbraw/zinc/21/55/87/573215587.db2.gz YUCWKVITJOYBND-JTQLQIEISA-N 0 0 184.210 1.376 10 0 ADAERN COCCS[C@H]1CCC(=O)C1 82819821 573215628 /nfs/dbraw/zinc/21/56/28/573215628.db2.gz MCPBVHQEZLWOSN-QMMMGPOBSA-N 0 0 174.265 1.488 10 0 ADAERN CC(C)(C)[S@@](=O)[C@@H]1CCC(=O)C1 82821604 573215637 /nfs/dbraw/zinc/21/56/37/573215637.db2.gz VJCXXSFSWVGLBB-PRHODGIISA-N 0 0 188.292 1.655 10 0 ADAERN CCc1cccc2c(N)nc(N)nc12 238307570 573214858 /nfs/dbraw/zinc/21/48/58/573214858.db2.gz UXGODLMTNRKWLV-UHFFFAOYSA-N 0 0 188.234 1.357 10 0 ADAERN C[N@@H+]1CCC[C@@H](C/C=C/C(=O)[O-])C1 259380291 573214862 /nfs/dbraw/zinc/21/48/62/573214862.db2.gz RDNVSQKGTCMHPZ-YUWISIADSA-N 0 0 183.251 1.359 10 0 ADAERN Cc1cccc(CC(=O)[C@H](C)O)c1 235542423 573214866 /nfs/dbraw/zinc/21/48/66/573214866.db2.gz BGPNOVCFRVXFTG-VIFPVBQESA-N 0 0 178.231 1.487 10 0 ADAERN CCn1nc(C)c2c(=O)cc[nH]c21 238306737 573214881 /nfs/dbraw/zinc/21/48/81/573214881.db2.gz XXVKRQCPQCVBEQ-UHFFFAOYSA-N 0 0 177.207 1.465 10 0 ADAERN CC[C@H]1CCO[C@H](O)C1 238306849 573214884 /nfs/dbraw/zinc/21/48/84/573214884.db2.gz YPKOYFXSPVHZEM-BQBZGAKWSA-N 0 0 130.187 1.141 10 0 ADAERN CCO[C@]12CCCC[C@H]1[C@@H]2CO 238307011 573214890 /nfs/dbraw/zinc/21/48/90/573214890.db2.gz UCJRYUOVFIMVIS-LPEHRKFASA-N 0 0 170.252 1.574 10 0 ADAERN COC(CCC[C@H](C)O)OC 78327609 573215643 /nfs/dbraw/zinc/21/56/43/573215643.db2.gz UCBSYKAFNIPUSC-ZETCQYMHSA-N 0 0 162.229 1.156 10 0 ADAERN C[C@H](O)C(=O)Cc1ccccc1Cl 235542592 573214899 /nfs/dbraw/zinc/21/48/99/573214899.db2.gz ZXGLCXBZGVNDHU-ZETCQYMHSA-N 0 0 198.649 1.832 10 0 ADAERN CCC[C@H](C)n1cnc(C(N)=S)n1 233343673 573214904 /nfs/dbraw/zinc/21/49/04/573214904.db2.gz GVYHZMPKFIZWPC-LURJTMIESA-N 0 0 198.295 1.273 10 0 ADAERN CCOC[C@@H](C)OC(=O)[C@H]1C[C@H]1C 308316389 573214906 /nfs/dbraw/zinc/21/49/06/573214906.db2.gz XEZNKKCOLCLPMT-HLTSFMKQSA-N 0 0 186.251 1.611 10 0 ADAERN Cn1ccnc1S[C@@H]1CCC(=O)C1 82819833 573215644 /nfs/dbraw/zinc/21/56/44/573215644.db2.gz FPVLFLMVTNANSW-MRVPVSSYSA-N 0 0 196.275 1.634 10 0 ADAERN CC[C@H](O)CCSC(C)=O 238307071 573214910 /nfs/dbraw/zinc/21/49/10/573214910.db2.gz FLCGNOWGEWHUNF-ZETCQYMHSA-N 0 0 162.254 1.427 10 0 ADAERN COCCS[C@@H]1CCC(=O)C1 82819820 573214936 /nfs/dbraw/zinc/21/49/36/573214936.db2.gz MCPBVHQEZLWOSN-MRVPVSSYSA-N 0 0 174.265 1.488 10 0 ADAERN Cc1ncccc1[C@H](O)[C@@H](O)C(C)C 715258970 573214945 /nfs/dbraw/zinc/21/49/45/573214945.db2.gz BXWLLUUUBVGOIZ-QWRGUYRKSA-N 0 0 195.262 1.440 10 0 ADAERN CC[S@@](=O)[C@H]1CCCC(=O)C1 82819746 573214950 /nfs/dbraw/zinc/21/49/50/573214950.db2.gz JCHLGAMNXPHOAR-KWQFWETISA-N 0 0 174.265 1.267 10 0 ADAERN CCSc1nc(C)cc(NC)n1 238307468 573214952 /nfs/dbraw/zinc/21/49/52/573214952.db2.gz WHDYEFNDKCARSZ-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN C[C@@]1(CO)CCc2cccc(O)c2N1 257974262 573214957 /nfs/dbraw/zinc/21/49/57/573214957.db2.gz AIBYOOQMLKLHMD-NSHDSACASA-N 0 0 193.246 1.501 10 0 ADAERN Nc1cnnc(-c2cccc(F)c2)c1 257973270 573214962 /nfs/dbraw/zinc/21/49/62/573214962.db2.gz OCYJFLMLXLVQNT-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Cc1nc(N)c2ccc(F)c(C)c2n1 235971656 573214982 /nfs/dbraw/zinc/21/49/82/573214982.db2.gz CKGVGANNFTZPRI-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN C[C@H](O)C(=O)C[C@@H]1Cc2ccccc21 235541547 573214992 /nfs/dbraw/zinc/21/49/92/573214992.db2.gz YRCFTIJPTKTOHB-WPRPVWTQSA-N 0 0 190.242 1.666 10 0 ADAERN CCC[S@@](=O)[C@H]1CCC(=O)C1 82821610 573214993 /nfs/dbraw/zinc/21/49/93/573214993.db2.gz FTBRCQKDKSMUJB-KWQFWETISA-N 0 0 174.265 1.267 10 0 ADAERN Cc1cc(-c2cc(N)n[nH]2)ccc1O 257972895 573214996 /nfs/dbraw/zinc/21/49/96/573214996.db2.gz DBRMJNGDYJGSSR-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN C[C@@H](O)CC(C)(C)c1nccn1C 82817087 573215036 /nfs/dbraw/zinc/21/50/36/573215036.db2.gz YZLASPNOLFJJFT-MRVPVSSYSA-N 0 0 182.267 1.469 10 0 ADAERN CC[C@H]([NH3+])c1cc(O)cc(C(=O)[O-])c1 238313871 573215050 /nfs/dbraw/zinc/21/50/50/573215050.db2.gz BALHVWMFFLEBAL-VIFPVBQESA-N 0 0 195.218 1.500 10 0 ADAERN C[C@H]1C[C@@H]1CC(=O)NCC1CCC1 308316460 573215052 /nfs/dbraw/zinc/21/50/52/573215052.db2.gz VVCBCTYFUMJZAG-WCBMZHEXSA-N 0 0 181.279 1.949 10 0 ADAERN O[C@H](CC1CC1)[C@@H]1CCCCO1 123849233 573215080 /nfs/dbraw/zinc/21/50/80/573215080.db2.gz WZENCANFJADPFP-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN CS[C@@H]1CCC(=O)C1 82819857 573215091 /nfs/dbraw/zinc/21/50/91/573215091.db2.gz HNXDUCKJAPPFNF-ZCFIWIBFSA-N 0 0 130.212 1.471 10 0 ADAERN C[C@H](O)C(=O)CCC1CC1 235541216 573215100 /nfs/dbraw/zinc/21/51/00/573215100.db2.gz HOZWTQZSPAHMMF-LURJTMIESA-N 0 0 142.198 1.127 10 0 ADAERN Cc1nc(S[C@H]2CCC(=O)C2)n[nH]1 82821956 573215103 /nfs/dbraw/zinc/21/51/03/573215103.db2.gz GFSALUGJKZVAAC-ZETCQYMHSA-N 0 0 197.263 1.327 10 0 ADAERN Cc1cccc(CO)c1N(C)C 238306919 573215107 /nfs/dbraw/zinc/21/51/07/573215107.db2.gz XZNBOJDEYSYIOJ-UHFFFAOYSA-N 0 0 165.236 1.553 10 0 ADAERN C/C=C\CO[C@@H](C)CC(C)=O 212528007 573215109 /nfs/dbraw/zinc/21/51/09/573215109.db2.gz BHJOHUZEMSBJQQ-WBSSQXGSSA-N 0 0 156.225 1.947 10 0 ADAERN CC(C)[S@](=O)[C@H]1CCC(=O)C1 82821659 573215114 /nfs/dbraw/zinc/21/51/14/573215114.db2.gz JEGXPYPPRYMIEC-GZMMTYOYSA-N 0 0 174.265 1.265 10 0 ADAERN Cc1c(O)cccc1NC(=O)N(C)C 85956618 573215124 /nfs/dbraw/zinc/21/51/24/573215124.db2.gz LACHXYRCAZIPRK-UHFFFAOYSA-N 0 0 194.234 1.794 10 0 ADAERN CN(C)C(=O)/C=C/c1ccccc1N 238313654 573215128 /nfs/dbraw/zinc/21/51/28/573215128.db2.gz NYSPQOMKUVYEKJ-BQYQJAHWSA-N 0 0 190.246 1.370 10 0 ADAERN CS/C=C\C(=O)Oc1cccnc1 308316968 573215130 /nfs/dbraw/zinc/21/51/30/573215130.db2.gz XPVXAFXNYFRJNY-XQRVVYSFSA-N 0 0 195.243 1.864 10 0 ADAERN COc1c(CCO)ccc(C)c1F 257972887 573215131 /nfs/dbraw/zinc/21/51/31/573215131.db2.gz DBKMOGDJMBPTIP-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN CN(C)C(=O)NC[Si](C)(C)C 238307064 573215148 /nfs/dbraw/zinc/21/51/48/573215148.db2.gz PPSZZCTVNKSRRW-UHFFFAOYSA-N 0 0 174.320 1.135 10 0 ADAERN COCC(=O)Cc1ccc(F)cc1C 125908560 573215149 /nfs/dbraw/zinc/21/51/49/573215149.db2.gz IQNHTRBOVMSTGH-UHFFFAOYSA-N 0 0 196.221 1.892 10 0 ADAERN CCCC[NH2+]Cc1ccc(N)cn1 129064643 573215153 /nfs/dbraw/zinc/21/51/53/573215153.db2.gz OIUMHPXBZZJRDA-UHFFFAOYSA-N 0 0 179.267 1.554 10 0 ADAERN C[C@H](O)C[C@@H](C)n1cccc1 123843230 573215188 /nfs/dbraw/zinc/21/51/88/573215188.db2.gz IEMWTPZASCQNHG-BDAKNGLRSA-N 0 0 153.225 1.820 10 0 ADAERN CC[C@@H](C)N(O)CC 115761445 573215191 /nfs/dbraw/zinc/21/51/91/573215191.db2.gz YXONYIMMDYOBJR-ZCFIWIBFSA-N 0 0 117.192 1.496 10 0 ADAERN O=C1C[C@@H](CO)C2(CCCCCC2)N1 257761732 573215207 /nfs/dbraw/zinc/21/52/07/573215207.db2.gz OZPBJWAUIZWYGU-VIFPVBQESA-N 0 0 197.278 1.208 10 0 ADAERN Cc1cnnc(NC2(CO)CCC2)c1 235974407 573215210 /nfs/dbraw/zinc/21/52/10/573215210.db2.gz KHMLCNTZAOOAJN-UHFFFAOYSA-N 0 0 193.250 1.112 10 0 ADAERN CS[C@H]1CCC(=O)C1 82819858 573215217 /nfs/dbraw/zinc/21/52/17/573215217.db2.gz HNXDUCKJAPPFNF-LURJTMIESA-N 0 0 130.212 1.471 10 0 ADAERN Cc1ccc2c(c1C1(O)CC1)OCO2 257972878 573215232 /nfs/dbraw/zinc/21/52/32/573215232.db2.gz DBARCNFWRQYFTF-UHFFFAOYSA-N 0 0 192.214 1.705 10 0 ADAERN CC(C)[C@H](C)CNc1cncc(N)n1 82828980 573215235 /nfs/dbraw/zinc/21/52/35/573215235.db2.gz RLFOHDNZJNYFRS-MRVPVSSYSA-N 0 0 194.282 1.763 10 0 ADAERN Cc1ncccc1[C@H](O)[C@H](O)C(C)C 715258969 573215249 /nfs/dbraw/zinc/21/52/49/573215249.db2.gz BXWLLUUUBVGOIZ-MNOVXSKESA-N 0 0 195.262 1.440 10 0 ADAERN O=C1CCC[C@@H](SCCO)C1 82818376 573215253 /nfs/dbraw/zinc/21/52/53/573215253.db2.gz LCEIXQQPXKMFGJ-MRVPVSSYSA-N 0 0 174.265 1.224 10 0 ADAERN COC(=O)Cc1sccc1C 115774241 573215255 /nfs/dbraw/zinc/21/52/55/573215255.db2.gz PUNRNKBNBVXCKU-UHFFFAOYSA-N 0 0 170.233 1.772 10 0 ADAERN C[C@@H]1CC([NH2+]CC(=O)[O-])C[C@@H](C)C1 82829665 573215260 /nfs/dbraw/zinc/21/52/60/573215260.db2.gz VZMROJKUXPBMSU-YUMQZZPRSA-N 0 0 185.267 1.485 10 0 ADAERN COC(=O)[C@@H](NC1CC1)[C@H](C)C(C)C 308517523 573215269 /nfs/dbraw/zinc/21/52/69/573215269.db2.gz OOTWDGQCYMWFBZ-SCZZXKLOSA-N 0 0 199.294 1.572 10 0 ADAERN COCCc1nc2c(F)cccc2[nH]1 82821880 573215271 /nfs/dbraw/zinc/21/52/71/573215271.db2.gz XUXMOOSJYJGRAX-UHFFFAOYSA-N 0 0 194.209 1.891 10 0 ADAERN Cc1nc(CC(=O)[C@H](C)O)sc1C 235542915 573215274 /nfs/dbraw/zinc/21/52/74/573215274.db2.gz PRUUWSOAJPZLPA-LURJTMIESA-N 0 0 199.275 1.252 10 0 ADAERN Nc1ccc(=O)n2c1Cc1ccccc1-2 257974443 573215278 /nfs/dbraw/zinc/21/52/78/573215278.db2.gz ITKMAKFRZDRVPM-UHFFFAOYSA-N 0 0 198.225 1.324 10 0 ADAERN CN(C)C(=O)N(C)c1ccc(O)cc1 85956606 573215280 /nfs/dbraw/zinc/21/52/80/573215280.db2.gz GKPBVSSAPJTITB-UHFFFAOYSA-N 0 0 194.234 1.510 10 0 ADAERN CC(C)Cn1c(C=O)cccc1=O 257973206 573215284 /nfs/dbraw/zinc/21/52/84/573215284.db2.gz YWAJKWTZMIABOS-UHFFFAOYSA-N 0 0 179.219 1.317 10 0 ADAERN Cc1nc(S[C@@H]2CCC(=O)C2)n[nH]1 82821955 573215289 /nfs/dbraw/zinc/21/52/89/573215289.db2.gz GFSALUGJKZVAAC-SSDOTTSWSA-N 0 0 197.263 1.327 10 0 ADAERN C/C=C\CO[C@H](C)CC(C)=O 212528079 573215291 /nfs/dbraw/zinc/21/52/91/573215291.db2.gz BHJOHUZEMSBJQQ-XRVBUDJMSA-N 0 0 156.225 1.947 10 0 ADAERN O=C1CCC[C@H](SCCO)C1 82818375 573215319 /nfs/dbraw/zinc/21/53/19/573215319.db2.gz LCEIXQQPXKMFGJ-QMMMGPOBSA-N 0 0 174.265 1.224 10 0 ADAERN Oc1cccc2c1[C@@H]1C[C@@H]1CN2 258586791 573215333 /nfs/dbraw/zinc/21/53/33/573215333.db2.gz STXGUIAJTUYVKE-RNFRBKRXSA-N 0 0 161.204 1.921 10 0 ADAERN CCCc1noc(CCC(=O)OC)n1 82829269 573215334 /nfs/dbraw/zinc/21/53/34/573215334.db2.gz PDTVLJQJGIREBU-UHFFFAOYSA-N 0 0 198.222 1.128 10 0 ADAERN C/C=C\CSc1nnnn1C1CC1 308317045 573215341 /nfs/dbraw/zinc/21/53/41/573215341.db2.gz WDORUWJZGSRDMV-IHWYPQMZSA-N 0 0 196.279 1.676 10 0 ADAERN CCC[C@H](O)[C@@H](COC)C1CC1 212525558 573215342 /nfs/dbraw/zinc/21/53/42/573215342.db2.gz RBEKCSPPACPKRD-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)[C@H](F)[C@@H]1CCCCO1 257974507 573215369 /nfs/dbraw/zinc/21/53/69/573215369.db2.gz YWTLGKJFSWSPCD-NKWVEPMBSA-N 0 0 176.187 1.067 10 0 ADAERN ONCc1cccc(CCF)c1 257974544 573215391 /nfs/dbraw/zinc/21/53/91/573215391.db2.gz IVUBEFXTVKNTFZ-UHFFFAOYSA-N 0 0 169.199 1.677 10 0 ADAERN CC(C)(O)c1nc2c(F)cccc2[nH]1 82821877 573215394 /nfs/dbraw/zinc/21/53/94/573215394.db2.gz HBLFRTXUCMWSAB-UHFFFAOYSA-N 0 0 194.209 1.929 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH2+]C)c1cc[nH]c1 259378127 573215395 /nfs/dbraw/zinc/21/53/95/573215395.db2.gz VOFHDJDOHUYNDW-DTWKUNHWSA-N 0 0 196.250 1.386 10 0 ADAERN Cc1ccc(NC(=O)N(C)C)c(N)c1 85955925 573215401 /nfs/dbraw/zinc/21/54/01/573215401.db2.gz ZSCHOXVFOFJSFE-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN C/C=C(\C)C(=O)Oc1cnn(C)c1 308316474 573215410 /nfs/dbraw/zinc/21/54/10/573215410.db2.gz VVSXQLAJTPLVKV-QPJJXVBHSA-N 0 0 180.207 1.292 10 0 ADAERN Cc1nc(N)c2cc(F)cc(F)c2n1 235971585 573215415 /nfs/dbraw/zinc/21/54/15/573215415.db2.gz UKFIIPHTRBAPQD-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN CC(C)[S@@](=O)[C@H]1CCCC(=O)C1 82819790 573215417 /nfs/dbraw/zinc/21/54/17/573215417.db2.gz GXQOMFCXETYCPP-CABZTGNLSA-N 0 0 188.292 1.655 10 0 ADAERN Cc1cnnc(NC[C@@H]2CCCO2)c1 235977396 573215426 /nfs/dbraw/zinc/21/54/26/573215426.db2.gz RBDYNQASIHZSIH-VIFPVBQESA-N 0 0 193.250 1.376 10 0 ADAERN O=Cc1cnoc1C[C@H]1CCCOC1 259380239 573215455 /nfs/dbraw/zinc/21/54/55/573215455.db2.gz WBVPXWJYRNRMTK-MRVPVSSYSA-N 0 0 195.218 1.456 10 0 ADAERN C[C@H](O)CC(C)(C)c1cccnc1N 82817176 573215480 /nfs/dbraw/zinc/21/54/80/573215480.db2.gz GPIFCZMPNGDURJ-QMMMGPOBSA-N 0 0 194.278 1.712 10 0 ADAERN CC(=O)CNC(=O)N1CCC[C@H](C)C1 85967006 573215495 /nfs/dbraw/zinc/21/54/95/573215495.db2.gz KSSHLMCACIZBLC-QMMMGPOBSA-N 0 0 198.266 1.017 10 0 ADAERN CCCCCC(=O)NCCF 393509462 573215498 /nfs/dbraw/zinc/21/54/98/573215498.db2.gz AXYTUHALJHMDGU-UHFFFAOYSA-N 0 0 161.220 1.652 10 0 ADAERN COCc1nc2c(F)cccc2[nH]1 82821882 573215499 /nfs/dbraw/zinc/21/54/99/573215499.db2.gz NLRFWPKGCHBFKF-UHFFFAOYSA-N 0 0 180.182 1.848 10 0 ADAERN OCCc1cc(CF)ccc1O 257974426 573215505 /nfs/dbraw/zinc/21/55/05/573215505.db2.gz ISVQNRUBOONRMM-UHFFFAOYSA-N 0 0 170.183 1.397 10 0 ADAERN CCC1([C@H]2C[NH2+]C[C@H](C)O2)CCC1 686127973 573215510 /nfs/dbraw/zinc/21/55/10/573215510.db2.gz GWIDUISFDZFLSV-VHSXEESVSA-N 0 0 183.295 1.944 10 0 ADAERN C/C=C\C(=O)N1CCC[C@@H]1C(F)F 308316468 573215515 /nfs/dbraw/zinc/21/55/15/573215515.db2.gz VVJTYZVJLQEMSE-DQZUBPPWSA-N 0 0 189.205 1.819 10 0 ADAERN CNc1ncnnc1-c1ccc(C)o1 259377015 573215526 /nfs/dbraw/zinc/21/55/26/573215526.db2.gz XGYVCGOQAYAERL-UHFFFAOYSA-N 0 0 190.206 1.482 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)N1CCCCC1 85962422 573215538 /nfs/dbraw/zinc/21/55/38/573215538.db2.gz LUYNBENWFYKNRD-MRVPVSSYSA-N 0 0 198.266 1.159 10 0 ADAERN CC[C@@](C)(CNC(=O)OC)[C@H](C)O 308316821 573217382 /nfs/dbraw/zinc/21/73/82/573217382.db2.gz WAYQOXBYJVDXCW-CBAPKCEASA-N 0 0 189.255 1.140 10 0 ADAERN C[C@H]1C[C@@H](C)Cc2[nH]c(C=O)nc21 82831919 573217384 /nfs/dbraw/zinc/21/73/84/573217384.db2.gz PWIFHDZDQOVPBJ-RQJHMYQMSA-N 0 0 178.235 1.908 10 0 ADAERN CCONC/C(Cl)=C/Cl 85999779 573217392 /nfs/dbraw/zinc/21/73/92/573217392.db2.gz VCNPLMBZBXPIBT-HYXAFXHYSA-N 0 0 170.039 1.847 10 0 ADAERN CC[C@]1(C)[C@H](O)O[C@@H](C)[C@@H]1C 238308616 573217423 /nfs/dbraw/zinc/21/74/23/573217423.db2.gz FZBVHPLTOGNJGS-MAUMQABQSA-N 0 0 158.241 1.776 10 0 ADAERN CC[C@H](C)C1=NC(=S)N[C@@H](C)C1 238308521 573217425 /nfs/dbraw/zinc/21/74/25/573217425.db2.gz RFWHNZQXYMDKMW-BQBZGAKWSA-N 0 0 184.308 1.783 10 0 ADAERN CC(=O)Nc1c(O)cccc1C=O 257974490 573217427 /nfs/dbraw/zinc/21/74/27/573217427.db2.gz IUPHLMRMRUCRQN-UHFFFAOYSA-N 0 0 179.175 1.163 10 0 ADAERN CCn1[nH]c(=O)c2c1CCCC2 258588844 573217429 /nfs/dbraw/zinc/21/74/29/573217429.db2.gz TVKGYQCDJSSAMN-UHFFFAOYSA-N 0 0 166.224 1.487 10 0 ADAERN O=C1C[C@H](CO)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 197204930 573217432 /nfs/dbraw/zinc/21/74/32/573217432.db2.gz LVSMHZBDOSPSNM-BEBVASNESA-N 0 0 178.231 1.006 10 0 ADAERN CCN(N=O)c1ccc(OC)c(O)c1 35855038 573217445 /nfs/dbraw/zinc/21/74/45/573217445.db2.gz FOFYCUJHIJUUJO-UHFFFAOYSA-N 0 0 196.206 1.909 10 0 ADAERN CCOc1cnn(CCC(C)(C)O)c1 308517682 573217449 /nfs/dbraw/zinc/21/74/49/573217449.db2.gz GBFBZJZVFCXWTO-UHFFFAOYSA-N 0 0 198.266 1.443 10 0 ADAERN CC[C@H](O)Cc1cc(=O)cc(C)o1 238308995 573217451 /nfs/dbraw/zinc/21/74/51/573217451.db2.gz GEGLAFDFXICBRE-QMMMGPOBSA-N 0 0 182.219 1.262 10 0 ADAERN CCC[C@H](O)c1ccnn1CCOC 308517363 573217455 /nfs/dbraw/zinc/21/74/55/573217455.db2.gz FVCJKWVKBMQGPY-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN CCO[C@H]1[C@@H](O)C[C@@H](C)C[C@H]1C 82831249 573217469 /nfs/dbraw/zinc/21/74/69/573217469.db2.gz OGNMQASQGFPEAJ-QCLAVDOMSA-N 0 0 172.268 1.818 10 0 ADAERN C[C@H](Cc1ccco1)ON 259378503 573217470 /nfs/dbraw/zinc/21/74/70/573217470.db2.gz HAWWSLWNHFTIEE-ZCFIWIBFSA-N 0 0 141.170 1.101 10 0 ADAERN CN(C)C(=O)Nc1ccc(Cl)cn1 238307968 573217472 /nfs/dbraw/zinc/21/74/72/573217472.db2.gz IYCKGRKBNANLGV-UHFFFAOYSA-N 0 0 199.641 1.829 10 0 ADAERN CC1CC(N2C(=O)C3(CC3)N[C@H]2C)C1 123863429 573217486 /nfs/dbraw/zinc/21/74/86/573217486.db2.gz CNORLTZEPBJLOM-QJAFJHJLSA-N 0 0 194.278 1.095 10 0 ADAERN C[C@]1(C2CC2)CCNC(=O)O1 258588858 573217494 /nfs/dbraw/zinc/21/74/94/573217494.db2.gz TWTSZZAFOGVAKD-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN Cn1cc2c(F)cc(C=O)cc2n1 259379259 573216712 /nfs/dbraw/zinc/21/67/12/573216712.db2.gz JWUCITXRUBXKCT-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN CCCCC(=O)[C@@H](O)CC 115776766 573216735 /nfs/dbraw/zinc/21/67/35/573216735.db2.gz PSPGOFXXYMAFHP-ZETCQYMHSA-N 0 0 144.214 1.517 10 0 ADAERN COC(=O)[C@](C)(F)c1ccco1 257973030 573217504 /nfs/dbraw/zinc/21/75/04/573217504.db2.gz YTRQCIRDZFMBEU-MRVPVSSYSA-N 0 0 172.155 1.637 10 0 ADAERN CC[C@@]1(C)[C@@H](O)OCC[C@H]1C 238308517 573216759 /nfs/dbraw/zinc/21/67/59/573216759.db2.gz ATDDIQMNQBXFDP-HRDYMLBCSA-N 0 0 158.241 1.778 10 0 ADAERN Cc1noc(NCC[C@H]2CCOC2)n1 235964526 573216762 /nfs/dbraw/zinc/21/67/62/573216762.db2.gz CZPVMWXKDKGGAR-QMMMGPOBSA-N 0 0 197.238 1.217 10 0 ADAERN CC[C@@H](C)OCn1cc(C(C)=O)cn1 308517364 573216783 /nfs/dbraw/zinc/21/67/83/573216783.db2.gz VTGURBSWASATBN-MRVPVSSYSA-N 0 0 196.250 1.858 10 0 ADAERN O=C1CCC(c2nnns2)CC1 259377865 573216792 /nfs/dbraw/zinc/21/67/92/573216792.db2.gz JGUNOLMLGBYDJD-UHFFFAOYSA-N 0 0 183.236 1.160 10 0 ADAERN COC(=O)[C@H](NC1CC1)[C@H](C)C(C)C 308517521 573216795 /nfs/dbraw/zinc/21/67/95/573216795.db2.gz OOTWDGQCYMWFBZ-PSASIEDQSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1ccccc1O[C@@H]1COC[C@H]1O 687956487 573216813 /nfs/dbraw/zinc/21/68/13/573216813.db2.gz UXLXOVZUMDOFMA-MWLCHTKSSA-N 0 0 194.230 1.134 10 0 ADAERN CC(C)(C)[S@](=O)[C@@H]1CCC(=O)C1 82821605 573216823 /nfs/dbraw/zinc/21/68/23/573216823.db2.gz VJCXXSFSWVGLBB-PELKAZGASA-N 0 0 188.292 1.655 10 0 ADAERN COc1nc2cc(O)cc(C)c2[nH]1 115748804 573216846 /nfs/dbraw/zinc/21/68/46/573216846.db2.gz NTZCQSBEKILYRY-UHFFFAOYSA-N 0 0 178.191 1.586 10 0 ADAERN Cc1noc([C@H]2NCCCC2(C)C)n1 235968746 573216849 /nfs/dbraw/zinc/21/68/49/573216849.db2.gz DRXAVDHBHSGMJQ-MRVPVSSYSA-N 0 0 195.266 1.829 10 0 ADAERN O=Cc1cnoc1C[C@@H]1CCCOC1 259380245 573216859 /nfs/dbraw/zinc/21/68/59/573216859.db2.gz WBVPXWJYRNRMTK-QMMMGPOBSA-N 0 0 195.218 1.456 10 0 ADAERN C[C@]1(CO)CCc2cc(F)ccc2N1 257974186 573216886 /nfs/dbraw/zinc/21/68/86/573216886.db2.gz AGYLCWYTPQYYLK-LLVKDONJSA-N 0 0 195.237 1.935 10 0 ADAERN C[C@@H](O)CC(C)(C)[C@H]1CCOC1 82817085 573216892 /nfs/dbraw/zinc/21/68/92/573216892.db2.gz YGSWNMSJVSFKSZ-BDAKNGLRSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)NCC1CCC1 308316459 573216905 /nfs/dbraw/zinc/21/69/05/573216905.db2.gz VVCBCTYFUMJZAG-SCZZXKLOSA-N 0 0 181.279 1.949 10 0 ADAERN COc1cccc([C@H]2CCNO2)c1 257974521 573216914 /nfs/dbraw/zinc/21/69/14/573216914.db2.gz YWWMJSZLSUTGHH-SNVBAGLBSA-N 0 0 179.219 1.661 10 0 ADAERN CCCCC(=O)[C@H](O)CC 115776769 573216935 /nfs/dbraw/zinc/21/69/35/573216935.db2.gz PSPGOFXXYMAFHP-SSDOTTSWSA-N 0 0 144.214 1.517 10 0 ADAERN CCCCN(O)CC 115761345 573216940 /nfs/dbraw/zinc/21/69/40/573216940.db2.gz DXBRUVBTKJOAGO-UHFFFAOYSA-N 0 0 117.192 1.498 10 0 ADAERN Cn1ccnc1S[C@H]1CCC(=O)C1 82819834 573216958 /nfs/dbraw/zinc/21/69/58/573216958.db2.gz FPVLFLMVTNANSW-QMMMGPOBSA-N 0 0 196.275 1.634 10 0 ADAERN C[C@H](CO)c1ccccc1C1(O)CC1 259376795 573216966 /nfs/dbraw/zinc/21/69/66/573216966.db2.gz HRXLGCGPJJJMMY-SECBINFHSA-N 0 0 192.258 1.764 10 0 ADAERN CC[C@@]1(C)C(=O)CC[C@H]1O 238308601 573216973 /nfs/dbraw/zinc/21/69/73/573216973.db2.gz UIGDKZAIVSKPSF-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN CC[C@@H]1C(=O)N[C@H]1C(C)C 104723118 573217050 /nfs/dbraw/zinc/21/70/50/573217050.db2.gz JFBVRHZDLJOMRA-BQBZGAKWSA-N 0 0 141.214 1.167 10 0 ADAERN C=C=C(CO)[C@@H](C)CC 238307994 573217051 /nfs/dbraw/zinc/21/70/51/573217051.db2.gz OWAOCWCXPDYTSP-ZETCQYMHSA-N 0 0 126.199 1.736 10 0 ADAERN CCNC(=S)C=C(C)O 104724550 573217055 /nfs/dbraw/zinc/21/70/55/573217055.db2.gz LOLMDMCHKJSRAZ-PLNGDYQASA-N 0 0 145.227 1.385 10 0 ADAERN CONCc1cccc(C[C@@H](C)O)c1 259379276 573217058 /nfs/dbraw/zinc/21/70/58/573217058.db2.gz JXAGYWCMIRIGHD-SECBINFHSA-N 0 0 195.262 1.261 10 0 ADAERN COc1c(N)ccc2cn(C)nc12 259379256 573217064 /nfs/dbraw/zinc/21/70/64/573217064.db2.gz JWRHTGPADVLUFO-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN CCOC[C@@H](C)OC(=O)[C@H]1C[C@@H]1C 308316394 573217086 /nfs/dbraw/zinc/21/70/86/573217086.db2.gz XEZNKKCOLCLPMT-YIZRAAEISA-N 0 0 186.251 1.611 10 0 ADAERN CCN1CCC[C@H]1c1noc(C=O)n1 257973439 573217094 /nfs/dbraw/zinc/21/70/94/573217094.db2.gz KHEQNHBHWYTSLO-ZETCQYMHSA-N 0 0 195.222 1.039 10 0 ADAERN CCOC[C@H](C)OC(=O)[C@@H]1C[C@@H]1C 308316393 573217137 /nfs/dbraw/zinc/21/71/37/573217137.db2.gz XEZNKKCOLCLPMT-XHNCKOQMSA-N 0 0 186.251 1.611 10 0 ADAERN C[C@H](O)C(=O)[C@@H]1C[C@@H]1c1ccccc1 235543355 573217144 /nfs/dbraw/zinc/21/71/44/573217144.db2.gz QCAFWEDMJUZCHA-JMJZKYOTSA-N 0 0 190.242 1.740 10 0 ADAERN Cc1ccc2c(c1)[C@H]([NH3+])[C@@H](C(=O)[O-])C2 259603691 573217175 /nfs/dbraw/zinc/21/71/75/573217175.db2.gz DHBWCVTVEBCHKV-UWVGGRQHSA-N 0 0 191.230 1.252 10 0 ADAERN C[C@H](O)C(=O)Cc1cccc(F)c1 235542479 573217179 /nfs/dbraw/zinc/21/71/79/573217179.db2.gz LIUGVXSTQGZFGK-ZETCQYMHSA-N 0 0 182.194 1.318 10 0 ADAERN CCc1c[nH]cc1OC(C)=O 238309011 573217197 /nfs/dbraw/zinc/21/71/97/573217197.db2.gz LGEQUTAIHPFMHW-UHFFFAOYSA-N 0 0 153.181 1.502 10 0 ADAERN CCc1ccc(F)c(C(=O)CN)c1 257974463 573217206 /nfs/dbraw/zinc/21/72/06/573217206.db2.gz IUALFGGNDFEPQI-UHFFFAOYSA-N 0 0 181.210 1.530 10 0 ADAERN CCON(C)C(=O)c1ncoc1C 308316383 573217222 /nfs/dbraw/zinc/21/72/22/573217222.db2.gz XEWLBTOJTQHQOT-UHFFFAOYSA-N 0 0 184.195 1.007 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H]1CCCCO1 123859117 573217250 /nfs/dbraw/zinc/21/72/50/573217250.db2.gz MCCNHWVJTNXGKF-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](O)C(=O)Cc1ccncc1Cl 235542753 573217254 /nfs/dbraw/zinc/21/72/54/573217254.db2.gz VZJIOAXLIYDCGI-LURJTMIESA-N 0 0 199.637 1.227 10 0 ADAERN COCc1nc(C)c(C(C)=O)o1 77599994 573217272 /nfs/dbraw/zinc/21/72/72/573217272.db2.gz KPUTYIQOHKNIMY-UHFFFAOYSA-N 0 0 169.180 1.332 10 0 ADAERN COCC[C@@H](COC)n1cccc1 308316720 573217293 /nfs/dbraw/zinc/21/72/93/573217293.db2.gz XJDDOHYTQLCYAQ-JTQLQIEISA-N 0 0 183.251 1.712 10 0 ADAERN C=CC(=O)N1CCSC1(C)C 197213063 573217324 /nfs/dbraw/zinc/21/73/24/573217324.db2.gz ZSVBTTVNCGTXOM-UHFFFAOYSA-N 0 0 171.265 1.484 10 0 ADAERN CC[C@]1(C)[C@@H](C)CCO[C@@H]1O 238308187 573217328 /nfs/dbraw/zinc/21/73/28/573217328.db2.gz ATDDIQMNQBXFDP-XHNCKOQMSA-N 0 0 158.241 1.778 10 0 ADAERN CC[C@H](C)N(O)CC 115761447 573217340 /nfs/dbraw/zinc/21/73/40/573217340.db2.gz YXONYIMMDYOBJR-LURJTMIESA-N 0 0 117.192 1.496 10 0 ADAERN CC[C@H]1CC[C@@](C)(O)[C@@H]1C(C)=O 238308554 573217342 /nfs/dbraw/zinc/21/73/42/573217342.db2.gz DGOYXPZXLGKPEE-IVZWLZJFSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1cc(O)cc2oc(=O)n(C)c12 115749277 573217347 /nfs/dbraw/zinc/21/73/47/573217347.db2.gz UXYSBWGZYXGYCL-UHFFFAOYSA-N 0 0 179.175 1.146 10 0 ADAERN OC1(Cc2ccc3c(c2)OCO3)CC1 257974989 573223203 /nfs/dbraw/zinc/22/32/03/573223203.db2.gz DFKUKQZMGUESBM-UHFFFAOYSA-N 0 0 192.214 1.483 10 0 ADAERN Cc1nc([C@H](N)C2(C)CCC2)no1 686135326 573223227 /nfs/dbraw/zinc/22/32/27/573223227.db2.gz CGNWCIZUWOAIMY-ZETCQYMHSA-N 0 0 181.239 1.568 10 0 ADAERN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1C(C)(C)C 259384091 573223242 /nfs/dbraw/zinc/22/32/42/573223242.db2.gz LIZNLTLUIQZGHL-JGVFFNPUSA-N 0 0 185.267 1.580 10 0 ADAERN CCSc1ncnc(NC)c1N 238309012 573223246 /nfs/dbraw/zinc/22/32/46/573223246.db2.gz OSJYQORPXGKYIM-UHFFFAOYSA-N 0 0 184.268 1.213 10 0 ADAERN C/C=C\CSCCCn1cncn1 308318336 573223282 /nfs/dbraw/zinc/22/32/82/573223282.db2.gz WZQPYQRWWYXINW-IHWYPQMZSA-N 0 0 197.307 1.978 10 0 ADAERN OC[C@H](F)[C@H]1CCCSC1 258595502 573223284 /nfs/dbraw/zinc/22/32/84/573223284.db2.gz UKPANUZRHXUYGZ-BQBZGAKWSA-N 0 0 164.245 1.460 10 0 ADAERN CC1(COC(=O)c2cn[nH]c2)CC1 308318369 573223290 /nfs/dbraw/zinc/22/32/90/573223290.db2.gz XCAQKYNDKMIBFX-UHFFFAOYSA-N 0 0 180.207 1.367 10 0 ADAERN C[C@@H](C(F)(F)F)C1(O)CC1 258594796 573222468 /nfs/dbraw/zinc/22/24/68/573222468.db2.gz UHQQKVAQTOOWLM-SCSAIBSYSA-N 0 0 154.131 1.710 10 0 ADAERN C[NH2+]C1(C(=O)[O-])C[C@H](C)C[C@@H](C)C1 82831177 573222470 /nfs/dbraw/zinc/22/24/70/573222470.db2.gz UKCWJUHKNFHBMY-HTQZYQBOSA-N 0 0 185.267 1.485 10 0 ADAERN O=C(OCl)c1ccc[nH]1 104731867 573222495 /nfs/dbraw/zinc/22/24/95/573222495.db2.gz YEMYSFNKVNAHRE-UHFFFAOYSA-N 0 0 145.545 1.325 10 0 ADAERN NOCc1cccc2oc(=O)sc12 257975066 573222501 /nfs/dbraw/zinc/22/25/01/573222501.db2.gz DGSSEYHNJQOIBM-UHFFFAOYSA-N 0 0 197.215 1.245 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCN2C)on1 259380644 573222515 /nfs/dbraw/zinc/22/25/15/573222515.db2.gz WEEPPPKIWVXFOJ-VIFPVBQESA-N 0 0 194.234 1.644 10 0 ADAERN Cc1cccc([C@@H]2CC(=O)NO2)c1 257974594 573222517 /nfs/dbraw/zinc/22/25/17/573222517.db2.gz YYAZUEZZWNAILM-VIFPVBQESA-N 0 0 177.203 1.488 10 0 ADAERN CC[C@@H](NN)[C@H]1CC12CCOCC2 689934845 573222530 /nfs/dbraw/zinc/22/25/30/573222530.db2.gz OMLGREWFKKMIFN-RKDXNWHRSA-N 0 0 184.283 1.045 10 0 ADAERN CSC[C@H](C)N(C)c1cccnn1 308317916 573222553 /nfs/dbraw/zinc/22/25/53/573222553.db2.gz YITZFPCHHDNDGD-QMMMGPOBSA-N 0 0 197.307 1.664 10 0 ADAERN COc1cc2c(c(C(C)=O)c1)OCO2 257975055 573222576 /nfs/dbraw/zinc/22/25/76/573222576.db2.gz DGHZOJMAVREEBV-UHFFFAOYSA-N 0 0 194.186 1.627 10 0 ADAERN C=COCCOC(=O)C[C@@H](C)OC 308319711 573222597 /nfs/dbraw/zinc/22/25/97/573222597.db2.gz ZQHLIRIUWHPWOH-MRVPVSSYSA-N 0 0 188.223 1.115 10 0 ADAERN OCC1(Cc2cccc(F)c2)COC1 259381510 573222601 /nfs/dbraw/zinc/22/26/01/573222601.db2.gz NDXCWQNHKIUNPH-UHFFFAOYSA-N 0 0 196.221 1.377 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])C1CCC1)C(=O)[O-] 259381682 573222610 /nfs/dbraw/zinc/22/26/10/573222610.db2.gz NGCAJTYEXFHUGI-POYBYMJQSA-N 0 0 171.240 1.225 10 0 ADAERN CCc1nnn(C2CCC2)c1N 258595529 573222619 /nfs/dbraw/zinc/22/26/19/573222619.db2.gz UKUPWKDMVXFENZ-UHFFFAOYSA-N 0 0 166.228 1.148 10 0 ADAERN C[C@@H]1NC(=O)S[C@H]1C 104728882 573222629 /nfs/dbraw/zinc/22/26/29/573222629.db2.gz RZAQYOUYUXFWNE-IMJSIDKUSA-N 0 0 131.200 1.220 10 0 ADAERN CO[C@@H]1C=C(CO)CC(C)(C)C1 224843913 573222640 /nfs/dbraw/zinc/22/26/40/573222640.db2.gz BPJYUOWNSNCRSH-SECBINFHSA-N 0 0 170.252 1.740 10 0 ADAERN CC(C)C[C@H](CO)C1COC1 258592848 573222649 /nfs/dbraw/zinc/22/26/49/573222649.db2.gz NHPOWZDZGNKOKS-MRVPVSSYSA-N 0 0 158.241 1.287 10 0 ADAERN CC[C@H]([NH3+])c1c(N)ccnc1Cl 238309176 573222652 /nfs/dbraw/zinc/22/26/52/573222652.db2.gz IKZVMDBHXGECDI-YFKPBYRVSA-N 0 0 185.658 1.727 10 0 ADAERN CCONC(=O)N(C)C(CC)CC 308317910 573222659 /nfs/dbraw/zinc/22/26/59/573222659.db2.gz YIPSWNIGERUKQD-UHFFFAOYSA-N 0 0 188.271 1.768 10 0 ADAERN COc1cccc(CF)c1CNO 257975065 573222663 /nfs/dbraw/zinc/22/26/63/573222663.db2.gz DGQLJMLNWWNRJQ-UHFFFAOYSA-N 0 0 185.198 1.644 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)c1ccns1 689935013 573222669 /nfs/dbraw/zinc/22/26/69/573222669.db2.gz PKAOYJKJGNBJDT-WDSKDSINSA-N 0 0 183.232 1.361 10 0 ADAERN CC(C)Nc1cc(N(C)C#N)ncn1 258595514 573222676 /nfs/dbraw/zinc/22/26/76/573222676.db2.gz ANTBVTXPKVONDD-UHFFFAOYSA-N 0 0 191.238 1.214 10 0 ADAERN Oc1ccccc1[C@H]1CCNO1 258595477 573222684 /nfs/dbraw/zinc/22/26/84/573222684.db2.gz UKFZZVCXNQMAMN-SECBINFHSA-N 0 0 165.192 1.358 10 0 ADAERN Cc1cc(C[C@H](C)O)ccc1O 219497319 573222689 /nfs/dbraw/zinc/22/26/89/573222689.db2.gz KSTWCIDKIREHGD-QMMMGPOBSA-N 0 0 166.220 1.624 10 0 ADAERN CC(C)[C@H]1CC[NH2+][C@H](C(=O)[O-])CC1 257974612 573222696 /nfs/dbraw/zinc/22/26/96/573222696.db2.gz YZCSGJJZLIEPAX-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN COC(=O)c1cc2cnsc2o1 259382464 573222699 /nfs/dbraw/zinc/22/26/99/573222699.db2.gz PCHVJIIWXSGGDG-UHFFFAOYSA-N 0 0 183.188 1.676 10 0 ADAERN NN[C@@H](C1CC1)[C@H]1CC12CCOCC2 689935025 573222712 /nfs/dbraw/zinc/22/27/12/573222712.db2.gz PRHOGNRGUSFEDC-ZJUUUORDSA-N 0 0 196.294 1.045 10 0 ADAERN Cc1cc(SCCO)ncc1N 86003674 573222724 /nfs/dbraw/zinc/22/27/24/573222724.db2.gz FZHXUWNDDHRIFD-UHFFFAOYSA-N 0 0 184.264 1.057 10 0 ADAERN C/C=C\COc1ccnc(NCC)n1 308319314 573222725 /nfs/dbraw/zinc/22/27/25/573222725.db2.gz KMUZRQWQBUUYSM-HYXAFXHYSA-N 0 0 193.250 1.863 10 0 ADAERN C/C=C(C)/C=C/C(=O)N1CC(C)C1 308319356 573222731 /nfs/dbraw/zinc/22/27/31/573222731.db2.gz XNHNGDDYAZXOLH-BZNITXMSSA-N 0 0 179.263 1.987 10 0 ADAERN Cc1cc(N2CCCN2)ccn1 306575054 573222753 /nfs/dbraw/zinc/22/27/53/573222753.db2.gz JCQNQJGXHOTSSB-UHFFFAOYSA-N 0 0 163.224 1.105 10 0 ADAERN NOC[C@H](CO)C1CCCCCC1 257974603 573222844 /nfs/dbraw/zinc/22/28/44/573222844.db2.gz YYUMIDHFCDYUOI-JTQLQIEISA-N 0 0 187.283 1.456 10 0 ADAERN C[C@H]([NH2+]C/C(Cl)=C/Cl)C(=O)[O-] 86000602 573222874 /nfs/dbraw/zinc/22/28/74/573222874.db2.gz ATVQZWHKRMOSCK-RTDYNSIBSA-N 0 0 198.049 1.368 10 0 ADAERN CCOC[C@@H](O)c1cnc(C)c(C)c1 308518207 573222876 /nfs/dbraw/zinc/22/28/76/573222876.db2.gz WHBIQMFZMPTLAF-LLVKDONJSA-N 0 0 195.262 1.768 10 0 ADAERN CSC[C@@H](C)N(C)c1cccnn1 308317915 573222895 /nfs/dbraw/zinc/22/28/95/573222895.db2.gz YITZFPCHHDNDGD-MRVPVSSYSA-N 0 0 197.307 1.664 10 0 ADAERN NOCc1cc(F)c(F)cc1C=O 257975044 573222920 /nfs/dbraw/zinc/22/29/20/573222920.db2.gz DGAICFOMKUYHKO-UHFFFAOYSA-N 0 0 187.145 1.168 10 0 ADAERN Cc1[nH]nc2cc(C=O)c(F)cc12 259382188 573222926 /nfs/dbraw/zinc/22/29/26/573222926.db2.gz KDNACFRUUYHQRG-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN NOCc1ccc(N2CCCC2)cc1 257974853 573222931 /nfs/dbraw/zinc/22/29/31/573222931.db2.gz DDGMWWPWQRBYBH-UHFFFAOYSA-N 0 0 192.262 1.677 10 0 ADAERN CC(C)C(F)(F)C(=N)N 259038011 573222944 /nfs/dbraw/zinc/22/29/44/573222944.db2.gz ADGVOKHIEJJZNU-UHFFFAOYSA-N 0 0 136.145 1.214 10 0 ADAERN C/C=C/C(=O)OCC(=O)OC(C)C 308318856 573222960 /nfs/dbraw/zinc/22/29/60/573222960.db2.gz XGGLUKVBGGEKQB-SNAWJCMRSA-N 0 0 186.207 1.057 10 0 ADAERN CCOC[C@@H](C)OC(=O)CC1CC1 308318933 573222988 /nfs/dbraw/zinc/22/29/88/573222988.db2.gz ZBGPEYXXLSKAJT-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN CNC(=O)C(C)(C)OC1CCCC1 238320704 573222994 /nfs/dbraw/zinc/22/29/94/573222994.db2.gz UYEPRQZECYSXDS-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@H]1CCCc2nc(CCO)cn21 258591903 573223002 /nfs/dbraw/zinc/22/30/02/573223002.db2.gz VEOAIEWTMIPIJT-QMMMGPOBSA-N 0 0 180.251 1.315 10 0 ADAERN CC[C@H](O)SC(C)=S 238309631 573223005 /nfs/dbraw/zinc/22/30/05/573223005.db2.gz IKZIBASSYUWEJJ-RXMQYKEDSA-N 0 0 150.268 1.795 10 0 ADAERN C=COCCOC(=O)C[C@H](C)OC 308319712 573223021 /nfs/dbraw/zinc/22/30/21/573223021.db2.gz ZQHLIRIUWHPWOH-QMMMGPOBSA-N 0 0 188.223 1.115 10 0 ADAERN CC(C)C[C@@H](CO)C1COC1 258592849 573223022 /nfs/dbraw/zinc/22/30/22/573223022.db2.gz NHPOWZDZGNKOKS-QMMMGPOBSA-N 0 0 158.241 1.287 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)c1ccns1 689935012 573223081 /nfs/dbraw/zinc/22/30/81/573223081.db2.gz PKAOYJKJGNBJDT-RITPCOANSA-N 0 0 183.232 1.361 10 0 ADAERN CCOCCn1nccc1C(C)=O 308319146 573223094 /nfs/dbraw/zinc/22/30/94/573223094.db2.gz ZGJRTFKMHZXSBX-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN NO[C@H](CO)C1CCCCCC1 257974633 573223101 /nfs/dbraw/zinc/22/31/01/573223101.db2.gz YZPYIWXAJMHWST-SECBINFHSA-N 0 0 173.256 1.208 10 0 ADAERN Cc1ccnc([Si](C)(C)C)n1 715704413 573223109 /nfs/dbraw/zinc/22/31/09/573223109.db2.gz VYHSKJCEXFJEGL-UHFFFAOYSA-N 0 0 166.300 1.330 10 0 ADAERN CCn1[nH]c(=O)c2cc(O)ccc21 257974618 573223117 /nfs/dbraw/zinc/22/31/17/573223117.db2.gz YZFCBJCXWMCBGP-UHFFFAOYSA-N 0 0 178.191 1.467 10 0 ADAERN CCOCCC(=O)O[C@H](C)C(F)F 308317900 573223130 /nfs/dbraw/zinc/22/31/30/573223130.db2.gz YHQCFCKJGKTBQF-ZCFIWIBFSA-N 0 0 196.193 1.610 10 0 ADAERN Fc1ccccc1[C@@H]1CNOC1 258592622 573223132 /nfs/dbraw/zinc/22/31/32/573223132.db2.gz UEPWPSKXCUFIFD-SSDOTTSWSA-N 0 0 167.183 1.444 10 0 ADAERN Nc1cc(-c2ccco2)c(Cl)nn1 258590454 573223138 /nfs/dbraw/zinc/22/31/38/573223138.db2.gz NDUQVSGXWKUAEA-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CC(=O)Nc1csc(N(C)C)n1 238320894 573223147 /nfs/dbraw/zinc/22/31/47/573223147.db2.gz GBVQBSGMKFQNCV-UHFFFAOYSA-N 0 0 185.252 1.168 10 0 ADAERN C[C@@H](C1CC1)N(C)O 82835642 573223181 /nfs/dbraw/zinc/22/31/81/573223181.db2.gz RNAZHERGRUCJSO-YFKPBYRVSA-N 0 0 115.176 1.106 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])[C@@H](C)C1CCCCC1 308519753 573229168 /nfs/dbraw/zinc/22/91/68/573229168.db2.gz RANMEHPAIWJDIJ-WCBMZHEXSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H]1C[C@@H](O)S1 238321106 573229188 /nfs/dbraw/zinc/22/91/88/573229188.db2.gz AYBAFGCOJONZHB-WHFBIAKZSA-N 0 0 118.201 1.220 10 0 ADAERN CC[C@@H](C)C[C@@]1(CC)NCC(=O)N1C 308520177 573229189 /nfs/dbraw/zinc/22/91/89/573229189.db2.gz OLZWKLVQNKREMO-KOLCDFICSA-N 0 0 198.310 1.591 10 0 ADAERN CC(=O)CC(=O)N1C[C@H](C)[C@@H](C)C1 86014394 573229205 /nfs/dbraw/zinc/22/92/05/573229205.db2.gz MCQJINAGPROORX-YUMQZZPRSA-N 0 0 183.251 1.080 10 0 ADAERN C=Cc1cc(CC)nc(CO)c1 238321314 573229208 /nfs/dbraw/zinc/22/92/08/573229208.db2.gz YUVDRXZDJOIHOY-UHFFFAOYSA-N 0 0 163.220 1.779 10 0 ADAERN C[C@@H]1C[N@@H+](C/C=C/C(=O)[O-])C[C@@H]1C 86010592 573229213 /nfs/dbraw/zinc/22/92/13/573229213.db2.gz UQKNAARLDIJAPR-WTSWQZHKSA-N 0 0 183.251 1.215 10 0 ADAERN Cc1cccc2cc(N)c(=O)oc12 238456724 573599114 /nfs/dbraw/zinc/59/91/14/573599114.db2.gz ACTCQMPOQMLVDA-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN O=C(CC1CCOCC1)[C@@H]1CCCO1 83710743 573599129 /nfs/dbraw/zinc/59/91/29/573599129.db2.gz KPTZWMPRYVIFBD-NSHDSACASA-N 0 0 198.262 1.551 10 0 ADAERN CC[C@H](C)OC(=O)C=Cc1c[nH]cn1 211817849 573599136 /nfs/dbraw/zinc/59/91/36/573599136.db2.gz YLGINHWFYSJLJY-LGYSABEFSA-N 0 0 194.234 1.765 10 0 ADAERN Nc1ccccc1[C@H]1CC[C@H](O)C1 259523189 573599145 /nfs/dbraw/zinc/59/91/45/573599145.db2.gz AJXSCXIDMVBNFJ-IUCAKERBSA-N 0 0 177.247 1.897 10 0 ADAERN O[C@H](Cc1cccs1)[C@@H]1CCCO1 83711809 573600488 /nfs/dbraw/zinc/60/04/88/573600488.db2.gz OFHMQKKOPBCFBM-ZJUUUORDSA-N 0 0 198.287 1.831 10 0 ADAERN CC(C)Cc1nc2n(n1)[C@H](O)CCC2 258597240 573228527 /nfs/dbraw/zinc/22/85/27/573228527.db2.gz VJLCJUBHBJQNEZ-SNVBAGLBSA-N 0 0 195.266 1.304 10 0 ADAERN C[C@H](CCCC(C)(C)O)CC(N)=O 238415042 573228529 /nfs/dbraw/zinc/22/85/29/573228529.db2.gz GSGHRJCVFONOHO-MRVPVSSYSA-N 0 0 187.283 1.439 10 0 ADAERN CC[C@H](C)COC(=O)[C@@H](C)COC 308310996 573228534 /nfs/dbraw/zinc/22/85/34/573228534.db2.gz RIFCFVNIZMMVIW-IUCAKERBSA-N 0 0 188.267 1.858 10 0 ADAERN OCc1cccc([C@@H]2CC[C@@H](O)C2)c1 259038102 573228550 /nfs/dbraw/zinc/22/85/50/573228550.db2.gz AASMBWIULUZSBI-VXGBXAGGSA-N 0 0 192.258 1.807 10 0 ADAERN NOCCC[C@H]1CCCSC1 257975375 573228551 /nfs/dbraw/zinc/22/85/51/573228551.db2.gz OIXVGWKVHWPQRB-QMMMGPOBSA-N 0 0 175.297 1.800 10 0 ADAERN Nc1cnoc1[C@@H]1CCCOC1 258597954 573228562 /nfs/dbraw/zinc/22/85/62/573228562.db2.gz UQVUJUGJOOZQRA-ZCFIWIBFSA-N 0 0 168.196 1.151 10 0 ADAERN O=C(Cc1cccnn1)c1ccc[nH]1 259038973 573228569 /nfs/dbraw/zinc/22/85/69/573228569.db2.gz FJFRRGDZBRKKMR-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN C[C@@H]1C[C@@]1(CO)c1ccncc1 259038232 573228584 /nfs/dbraw/zinc/22/85/84/573228584.db2.gz SKOQUWUFSWMAGB-SCZZXKLOSA-N 0 0 163.220 1.352 10 0 ADAERN CC(C)(C)C(=O)N1C[C@H](O)CC1(C)C 259040087 573228592 /nfs/dbraw/zinc/22/85/92/573228592.db2.gz GAKZLONXSQFTJL-MRVPVSSYSA-N 0 0 199.294 1.404 10 0 ADAERN CCCC[N@H+](C)C[C@H]1C[C@@H]1C(=O)[O-] 258601162 573228600 /nfs/dbraw/zinc/22/86/00/573228600.db2.gz HLPUMBUXVDNFOL-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN C/C=C/C1=CCC[C@@H]1O 115903531 573228614 /nfs/dbraw/zinc/22/86/14/573228614.db2.gz OTTJAHSRCKAEPE-KHVHVRLGSA-N 0 0 124.183 1.644 10 0 ADAERN ONCC[C@H]1CCSC1 258597828 573228656 /nfs/dbraw/zinc/22/86/56/573228656.db2.gz UQCXBRNQLSKXRK-LURJTMIESA-N 0 0 147.243 1.108 10 0 ADAERN Cc1cc(C=O)nc(CF)n1 258599634 573228664 /nfs/dbraw/zinc/22/86/64/573228664.db2.gz USNGEEJMCSRDLE-UHFFFAOYSA-N 0 0 154.144 1.067 10 0 ADAERN CC1CCC([C@]2(O)CCOC2)CC1 82848868 573228667 /nfs/dbraw/zinc/22/86/67/573228667.db2.gz HUNKCNQCYMKREO-ILDUYXDCSA-N 0 0 184.279 1.964 10 0 ADAERN CCS[C@H]1NCCS1 104736472 573228698 /nfs/dbraw/zinc/22/86/98/573228698.db2.gz HSWPCJAQNTXUAC-RXMQYKEDSA-N 0 0 149.284 1.360 10 0 ADAERN C=Cc1nc([C@H]2CCCO2)no1 83710204 573600501 /nfs/dbraw/zinc/60/05/01/573600501.db2.gz QZNSFQYIKGQWRQ-ZCFIWIBFSA-N 0 0 166.180 1.564 10 0 ADAERN CSCC[N@H+](C)Cc1cncnc1 308312145 573228716 /nfs/dbraw/zinc/22/87/16/573228716.db2.gz SJNIISKQXUJESR-UHFFFAOYSA-N 0 0 197.307 1.271 10 0 ADAERN CSc1cccn1CCO 115895760 573228721 /nfs/dbraw/zinc/22/87/21/573228721.db2.gz WWGFNRIKMNXGGB-UHFFFAOYSA-N 0 0 157.238 1.202 10 0 ADAERN COC(=O)c1c(C)ccn2ccnc12 238321833 573228725 /nfs/dbraw/zinc/22/87/25/573228725.db2.gz PKEJNTOZYFSEDY-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN NOCCC[C@@H]1CCCSC1 257975373 573228726 /nfs/dbraw/zinc/22/87/26/573228726.db2.gz OIXVGWKVHWPQRB-MRVPVSSYSA-N 0 0 175.297 1.800 10 0 ADAERN CC[C@@H](C)COC(=O)[C@H](C)COC 308310997 573228734 /nfs/dbraw/zinc/22/87/34/573228734.db2.gz RIFCFVNIZMMVIW-RKDXNWHRSA-N 0 0 188.267 1.858 10 0 ADAERN CNC(=O)C1=C(C)C[C@@H](O)CC1(C)C 238321628 573228800 /nfs/dbraw/zinc/22/88/00/573228800.db2.gz DDBXVEKYQUMJNO-MRVPVSSYSA-N 0 0 197.278 1.230 10 0 ADAERN CS[C@@H](C)CNC(=O)/C=C/C1CC1 308312700 573228805 /nfs/dbraw/zinc/22/88/05/573228805.db2.gz TWUUWANRSQYGFE-GJIOHYHPSA-N 0 0 199.319 1.820 10 0 ADAERN CCON(C)C(=O)C1(C)CCCC1 308319629 573228828 /nfs/dbraw/zinc/22/88/28/573228828.db2.gz ZNDGDRJZNVTWNB-UHFFFAOYSA-N 0 0 185.267 1.977 10 0 ADAERN Cc1nc(CC(C)C)c[nH]1 104736496 573228829 /nfs/dbraw/zinc/22/88/29/573228829.db2.gz RCGMLWDMQYVICI-UHFFFAOYSA-N 0 0 138.214 1.917 10 0 ADAERN CCc1cnc(C(N)=O)cc1C(C)C 238322256 573228893 /nfs/dbraw/zinc/22/88/93/573228893.db2.gz MLPNRRSONCOUQM-UHFFFAOYSA-N 0 0 192.262 1.866 10 0 ADAERN CCc1cc(N)nc(C[C@@H](C)OC)n1 129102124 573228953 /nfs/dbraw/zinc/22/89/53/573228953.db2.gz YPCXPFDLYDXGOV-SSDOTTSWSA-N 0 0 195.266 1.199 10 0 ADAERN C[C@H](O)C[C@H](C)N1C[C@@H](F)[C@H](F)C1 714658139 573228967 /nfs/dbraw/zinc/22/89/67/573228967.db2.gz YMXRVMVSOHFSLN-RBXMUDONSA-N 0 0 193.237 1.138 10 0 ADAERN Nc1cnnc(C[C@@H]2CCCOC2)c1 259385487 573228986 /nfs/dbraw/zinc/22/89/86/573228986.db2.gz IHUNHKCFEWJMGN-QMMMGPOBSA-N 0 0 193.250 1.028 10 0 ADAERN C/C=C/CCNC(=O)C1CC(=O)C1 308312287 573228990 /nfs/dbraw/zinc/22/89/90/573228990.db2.gz SFNBIVGFRWHUQL-NSCUHMNNSA-N 0 0 181.235 1.048 10 0 ADAERN COC(=O)C1=C(C)C=C/C1=C(/C)N 238321015 573228997 /nfs/dbraw/zinc/22/89/97/573228997.db2.gz LERVQMAESHYQLI-BQYQJAHWSA-N 0 0 179.219 1.278 10 0 ADAERN CCOCCCCNC(=O)OCC 308312411 573229015 /nfs/dbraw/zinc/22/90/15/573229015.db2.gz SPCVMMXKYPGMKA-UHFFFAOYSA-N 0 0 189.255 1.549 10 0 ADAERN CCc1cnc(C(C)=O)c(OC)c1 238322166 573229022 /nfs/dbraw/zinc/22/90/22/573229022.db2.gz BFHFJGVOKQMZTR-UHFFFAOYSA-N 0 0 179.219 1.855 10 0 ADAERN FCCNCc1cc2ccoc2cn1 308519628 573229051 /nfs/dbraw/zinc/22/90/51/573229051.db2.gz QTVZOQRQQCZUHB-UHFFFAOYSA-N 0 0 194.209 1.887 10 0 ADAERN CS[C@@H](C)CNC(=O)/C=C\C1CC1 308312703 573229056 /nfs/dbraw/zinc/22/90/56/573229056.db2.gz TWUUWANRSQYGFE-SLGIHZDVSA-N 0 0 199.319 1.820 10 0 ADAERN C/C=C/C(=O)OCc1cccnc1 308319618 573229062 /nfs/dbraw/zinc/22/90/62/573229062.db2.gz XSGBUBJTKMTNJH-DUXPYHPUSA-N 0 0 177.203 1.701 10 0 ADAERN OCc1cccc([C@@H]2CC[C@H](O)C2)c1 259038096 573229064 /nfs/dbraw/zinc/22/90/64/573229064.db2.gz AASMBWIULUZSBI-NEPJUHHUSA-N 0 0 192.258 1.807 10 0 ADAERN CN1C[C@H](CC(N)=O)c2ccccc21 238321370 573229092 /nfs/dbraw/zinc/22/90/92/573229092.db2.gz DFGTWNNXBFQPAX-QMMMGPOBSA-N 0 0 190.246 1.095 10 0 ADAERN Cn1nc([C@H]2CCSC2)cc1CO 259386409 573229095 /nfs/dbraw/zinc/22/90/95/573229095.db2.gz WMMSMVWZCREDCJ-ZETCQYMHSA-N 0 0 198.291 1.133 10 0 ADAERN CNC(=O)C1=C(OC(C)=O)CCCC1 238321694 573229106 /nfs/dbraw/zinc/22/91/06/573229106.db2.gz SVYDUOMEYJWYNY-UHFFFAOYSA-N 0 0 197.234 1.124 10 0 ADAERN C/C=C/C(=O)OC[C@H]1CCCOC1 308312290 573229111 /nfs/dbraw/zinc/22/91/11/573229111.db2.gz SFVDYXLLHAWSSH-LXOKAJLYSA-N 0 0 184.235 1.532 10 0 ADAERN C[C@H](O)C[C@H]1Cc2cc(O)ccc2O1 258241001 573229131 /nfs/dbraw/zinc/22/91/31/573229131.db2.gz XECPLJRPYNUKMJ-XVKPBYJWSA-N 0 0 194.230 1.467 10 0 ADAERN CCc1cc(N)nc(C[C@H](C)OC)n1 129102316 573229161 /nfs/dbraw/zinc/22/91/61/573229161.db2.gz YPCXPFDLYDXGOV-ZETCQYMHSA-N 0 0 195.266 1.199 10 0 ADAERN CC[C@H]1C[C@H](CC)C(=O)NC1=O 238324067 573236895 /nfs/dbraw/zinc/23/68/95/573236895.db2.gz BJMNTLRKABNWKJ-BQBZGAKWSA-N 0 0 169.224 1.085 10 0 ADAERN CN(C)C(=O)c1ccc(F)c(C=O)c1 238314894 573236903 /nfs/dbraw/zinc/23/69/03/573236903.db2.gz BWRMJXRZQFGREG-UHFFFAOYSA-N 0 0 195.193 1.340 10 0 ADAERN CCOC(=O)/C(C)=C\[C@H](F)CCO 393578296 573236912 /nfs/dbraw/zinc/23/69/12/573236912.db2.gz BNLNRVPMMNURTM-NFXKFNAJSA-N 0 0 190.214 1.216 10 0 ADAERN CN1C(=O)c2c(O)cccc2C1(C)C 115953998 573236914 /nfs/dbraw/zinc/23/69/14/573236914.db2.gz DPUXSYZROZXILJ-UHFFFAOYSA-N 0 0 191.230 1.713 10 0 ADAERN C[C@@H](NCc1cc[nH]c1)c1cc[nH]n1 308527193 573236917 /nfs/dbraw/zinc/23/69/17/573236917.db2.gz QYOXCYQUOMEPFK-MRVPVSSYSA-N 0 0 190.250 1.589 10 0 ADAERN CCC[C@@H](O)[C@@H](O)c1cccnc1C 715262734 573236934 /nfs/dbraw/zinc/23/69/34/573236934.db2.gz SGDGCRMLAUQZEW-MNOVXSKESA-N 0 0 195.262 1.584 10 0 ADAERN Oc1ccc(CCC2=NCCO2)cc1 222935440 573236957 /nfs/dbraw/zinc/23/69/57/573236957.db2.gz PZMAWJUDCPPMPM-UHFFFAOYSA-N 0 0 191.230 1.754 10 0 ADAERN COc1ccccc1C 642881867 573236966 /nfs/dbraw/zinc/23/69/66/573236966.db2.gz QMQFHMIYISIIGX-UHFFFAOYSA-N 0 0 121.159 1.836 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1Nc1nncs1 716613972 573236969 /nfs/dbraw/zinc/23/69/69/573236969.db2.gz OSWGBZIDEJGNME-KVPKETBZSA-N 0 0 195.291 1.995 10 0 ADAERN CS/C=C\C(=O)N[C@@H]1C[C@@H]1C1CC1 308316034 573236973 /nfs/dbraw/zinc/23/69/73/573236973.db2.gz WVOYQIPICDIWGR-UVSMVFJQSA-N 0 0 197.303 1.778 10 0 ADAERN CC[C@H]1CN[C@H](C(F)(F)F)CO1 238314759 573236977 /nfs/dbraw/zinc/23/69/77/573236977.db2.gz QTAKHJUTSLQNRI-WDSKDSINSA-N 0 0 183.173 1.316 10 0 ADAERN ONCc1ccc(F)c(F)c1F 258093915 573236201 /nfs/dbraw/zinc/23/62/01/573236201.db2.gz XBPKKCPYZMFQQB-UHFFFAOYSA-N 0 0 177.125 1.583 10 0 ADAERN C[C@H](O)[C@H](F)[C@H]1CCSC1 258604683 573236218 /nfs/dbraw/zinc/23/62/18/573236218.db2.gz VGYLEVWIOSCRTM-ACZMJKKPSA-N 0 0 164.245 1.458 10 0 ADAERN CC1CCC([C@@H]2COC[C@H]2O)CC1 687968992 573236220 /nfs/dbraw/zinc/23/62/20/573236220.db2.gz DFRNEHLSZNHIJU-WFBLGPOFSA-N 0 0 184.279 1.820 10 0 ADAERN CCOc1cccc(CNO)c1OC 132177665 573236225 /nfs/dbraw/zinc/23/62/25/573236225.db2.gz IZCVRCYRRUHHDW-UHFFFAOYSA-N 0 0 197.234 1.573 10 0 ADAERN CC[C@H](O)[C@H]1CCCOCC1 82850014 573236311 /nfs/dbraw/zinc/23/63/11/573236311.db2.gz WXZPFKJUMMZLNZ-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CN1C(=O)CSc2cc(N)ccc21 115986353 573236313 /nfs/dbraw/zinc/23/63/13/573236313.db2.gz MBSIQMBTBAVBSZ-UHFFFAOYSA-N 0 0 194.259 1.337 10 0 ADAERN Cc1ncccc1[C@H](O)[C@@H](O)C1CC1 715264756 573236325 /nfs/dbraw/zinc/23/63/25/573236325.db2.gz YXGRXIYWSIBAON-QWRGUYRKSA-N 0 0 193.246 1.194 10 0 ADAERN C[C@H](O)[C@@H]1COc2cccc(F)c21 258244666 573236333 /nfs/dbraw/zinc/23/63/33/573236333.db2.gz XIRJWAKAPMSBTA-BQBZGAKWSA-N 0 0 182.194 1.683 10 0 ADAERN Cc1nn([C@@H]2COC(C)(C)C2)cc1N 716622190 573236361 /nfs/dbraw/zinc/23/63/61/573236361.db2.gz UNEXXLSFVQOKBB-QMMMGPOBSA-N 0 0 195.266 1.514 10 0 ADAERN CCC(=O)N1CCC(C)(C)[C@@H](O)C1 259042753 573236374 /nfs/dbraw/zinc/23/63/74/573236374.db2.gz GIBBPQLIMBEGMI-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1/C=C\C(=O)[O-] 258241818 573236377 /nfs/dbraw/zinc/23/63/77/573236377.db2.gz QBMVFABZIRONOC-RPSMYOMKSA-N 0 0 169.224 1.112 10 0 ADAERN CCCC[NH2+]C[C@H](C)CC(=O)[O-] 258605340 573236378 /nfs/dbraw/zinc/23/63/78/573236378.db2.gz HZBUAJLUNRYOSZ-MRVPVSSYSA-N 0 0 173.256 1.487 10 0 ADAERN CCOCC(=O)c1cc(C)cc(C)n1 308527964 573236408 /nfs/dbraw/zinc/23/64/08/573236408.db2.gz JKJLVUCMSDUJNO-UHFFFAOYSA-N 0 0 193.246 1.918 10 0 ADAERN CN1CCN(C2CCCC2)C1=O 259389701 573236414 /nfs/dbraw/zinc/23/64/14/573236414.db2.gz WTCHVZFFPUIEEV-UHFFFAOYSA-N 0 0 168.240 1.296 10 0 ADAERN CCc1cc(CO)c(F)c(OC)c1 238324089 573236418 /nfs/dbraw/zinc/23/64/18/573236418.db2.gz DMSUBQKUDGPSDS-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN C[C@@H](O)[C@H]1COc2cccc(F)c21 258244668 573236424 /nfs/dbraw/zinc/23/64/24/573236424.db2.gz XIRJWAKAPMSBTA-RNFRBKRXSA-N 0 0 182.194 1.683 10 0 ADAERN CC[C@]12C[C@@]1(C)CC[C@@H]2O 238314538 573236451 /nfs/dbraw/zinc/23/64/51/573236451.db2.gz CYIJKHCHAROGGE-DJLDLDEBSA-N 0 0 140.226 1.948 10 0 ADAERN CC1(C)CCC[C@H](O)C1=O 116021368 573236460 /nfs/dbraw/zinc/23/64/60/573236460.db2.gz PNEIVFHDZNQMMT-LURJTMIESA-N 0 0 142.198 1.127 10 0 ADAERN C[C@H](NCc1cc[nH]c1)c1cc[nH]n1 308527196 573236486 /nfs/dbraw/zinc/23/64/86/573236486.db2.gz QYOXCYQUOMEPFK-QMMMGPOBSA-N 0 0 190.250 1.589 10 0 ADAERN CCc1cc(C(=O)OC)c(C)cc1N 238314319 573236501 /nfs/dbraw/zinc/23/65/01/573236501.db2.gz MMXRKIGGLLOXDA-UHFFFAOYSA-N 0 0 193.246 1.926 10 0 ADAERN CCON(C)C(=O)C[C@@H](C)C1CC1 308315419 573236504 /nfs/dbraw/zinc/23/65/04/573236504.db2.gz WGBYULCUUDXGAN-MRVPVSSYSA-N 0 0 185.267 1.833 10 0 ADAERN C/C=C\Cn1cc(C(=O)OCC)cn1 308315823 573236512 /nfs/dbraw/zinc/23/65/12/573236512.db2.gz AZZLNOVVWMAHTE-HYXAFXHYSA-N 0 0 194.234 1.636 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1Nc1nncs1 716613977 573236528 /nfs/dbraw/zinc/23/65/28/573236528.db2.gz OSWGBZIDEJGNME-VGRMVHKJSA-N 0 0 195.291 1.995 10 0 ADAERN CC[C@H]1C[C@H](CC(N)=O)C1(C)C 238323973 573236551 /nfs/dbraw/zinc/23/65/51/573236551.db2.gz UMXNDNYKUKWEAO-JGVFFNPUSA-N 0 0 169.268 1.934 10 0 ADAERN C[C@H](O)[C@H]1COc2cccc(F)c21 258244667 573236564 /nfs/dbraw/zinc/23/65/64/573236564.db2.gz XIRJWAKAPMSBTA-NKWVEPMBSA-N 0 0 182.194 1.683 10 0 ADAERN COc1ccc2onc(C)c2c1C=O 259387793 573236574 /nfs/dbraw/zinc/23/65/74/573236574.db2.gz KMKFMIXXJQCAOP-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN CC(=O)c1cncc(-c2ncccn2)c1 715716990 573236580 /nfs/dbraw/zinc/23/65/80/573236580.db2.gz AZHBPLNDIOTMMN-UHFFFAOYSA-N 0 0 199.213 1.741 10 0 ADAERN COCc1cc(F)c(CO)c(F)c1 238324003 573236589 /nfs/dbraw/zinc/23/65/89/573236589.db2.gz NHHLZSCRUGCPDI-UHFFFAOYSA-N 0 0 188.173 1.604 10 0 ADAERN COCC(=O)[C@@H]1[C@@H]2C=CC=CC[C@@H]21 238324276 573236628 /nfs/dbraw/zinc/23/66/28/573236628.db2.gz RIFOQOLBAOAXKK-WCABBAIRSA-N 0 0 178.231 1.580 10 0 ADAERN O=C([O-])c1cnccc1C[NH2+]C1CC1 257976578 573236631 /nfs/dbraw/zinc/23/66/31/573236631.db2.gz WJAHGXAXQHKUNL-UHFFFAOYSA-N 0 0 192.218 1.032 10 0 ADAERN CC1(C)c2c(O)cccc2CC[C@H]1O 259388079 573236641 /nfs/dbraw/zinc/23/66/41/573236641.db2.gz RGDQVTQNXZOLDC-SNVBAGLBSA-N 0 0 192.258 1.977 10 0 ADAERN CCCC[C@@H](C)N1C(=O)C=CC1=O 50889253 573236645 /nfs/dbraw/zinc/23/66/45/573236645.db2.gz ICMIRIKOUMCGJX-MRVPVSSYSA-N 0 0 181.235 1.490 10 0 ADAERN Nc1ccc2c(c1)CC[C@H]2CO 258604415 573236660 /nfs/dbraw/zinc/23/66/60/573236660.db2.gz VFPUKUWZXNTPBP-QMMMGPOBSA-N 0 0 163.220 1.291 10 0 ADAERN COC(=O)c1oc(C)c2cncnc12 259387368 573236669 /nfs/dbraw/zinc/23/66/69/573236669.db2.gz PKXKMXDIGBUJHS-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN CCn1nnc(C(C)C)c1N 258605064 573236678 /nfs/dbraw/zinc/23/66/78/573236678.db2.gz VIBWOXCRMBCXSA-UHFFFAOYSA-N 0 0 154.217 1.004 10 0 ADAERN Cc1nc(N[C@@H]2CC[C@@H](C)OC2)n[nH]1 115990845 573236759 /nfs/dbraw/zinc/23/67/59/573236759.db2.gz CUOLFOPWCJZINP-HTRCEHHLSA-N 0 0 196.254 1.093 10 0 ADAERN CN(CC(C)(C)O)c1ccccc1O 238314864 573236772 /nfs/dbraw/zinc/23/67/72/573236772.db2.gz RUQVWFHOSVITFJ-UHFFFAOYSA-N 0 0 195.262 1.599 10 0 ADAERN CN(CNN)Cc1ccc(Cl)cc1 259043275 573236784 /nfs/dbraw/zinc/23/67/84/573236784.db2.gz JFSBWZMLQUOSMK-UHFFFAOYSA-N 0 0 199.685 1.193 10 0 ADAERN COC(=O)NC/C=C/C=C/Cl 238314419 573236786 /nfs/dbraw/zinc/23/67/86/573236786.db2.gz NSNYIKUXFNFNHN-ZUVMSYQZSA-N 0 0 175.615 1.651 10 0 ADAERN Cc1cc(C(=O)N(C)C)[nH]c1C 238314196 573236798 /nfs/dbraw/zinc/23/67/98/573236798.db2.gz OYWHWGVLQSFJOR-UHFFFAOYSA-N 0 0 166.224 1.333 10 0 ADAERN CCN(Nc1ccccc1)C(N)=S 222939216 573236812 /nfs/dbraw/zinc/23/68/12/573236812.db2.gz SJXAKSAMXSIWLY-UHFFFAOYSA-N 0 0 195.291 1.579 10 0 ADAERN CSCC(=O)N(CC1CC1)C1CC1 308316024 573236817 /nfs/dbraw/zinc/23/68/17/573236817.db2.gz WVBUSCZGHKJCFY-UHFFFAOYSA-N 0 0 199.319 1.750 10 0 ADAERN CN[C@H](C=C(C)C)c1ncccn1 86027307 573236819 /nfs/dbraw/zinc/23/68/19/573236819.db2.gz FNPNUAQYSLJOBU-SECBINFHSA-N 0 0 177.251 1.703 10 0 ADAERN CCC(CO)(CO)Cc1ccoc1 132196920 573236842 /nfs/dbraw/zinc/23/68/42/573236842.db2.gz RCLKTVXBOAYNCA-UHFFFAOYSA-N 0 0 184.235 1.203 10 0 ADAERN C=CO[C@@H](C)COCC 115957761 573236843 /nfs/dbraw/zinc/23/68/43/573236843.db2.gz MXRQQNPQVDIUBM-ZETCQYMHSA-N 0 0 130.187 1.572 10 0 ADAERN Cc1noc([N-][C@@H](C)c2[nH]cc[nH+]2)n1 235552253 573236844 /nfs/dbraw/zinc/23/68/44/573236844.db2.gz AHVAIXUSTJYWDV-YFKPBYRVSA-N 0 0 193.210 1.274 10 0 ADAERN ONCc1cc2ccccc2o1 82850613 573236851 /nfs/dbraw/zinc/23/68/51/573236851.db2.gz DRZQKYQQDOAWIG-UHFFFAOYSA-N 0 0 163.176 1.912 10 0 ADAERN COCc1cc(F)cc2c1CC[C@H]2O 238324086 573236871 /nfs/dbraw/zinc/23/68/71/573236871.db2.gz XVVCAJHTBGHHQK-LLVKDONJSA-N 0 0 196.221 1.952 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12CC(=O)N2 82862513 573244575 /nfs/dbraw/zinc/24/45/75/573244575.db2.gz BMRUYVPNTHLOID-KHQFGBGNSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1nc(-c2ncccn2)ccc1N 715725794 573244586 /nfs/dbraw/zinc/24/45/86/573244586.db2.gz QIYSEKITEXIENB-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CN[C@]1(C(=O)OC)CC[C@H](C)C[C@H]1C 82860575 573244598 /nfs/dbraw/zinc/24/45/98/573244598.db2.gz IFFUNRCVPVVATN-IQJOONFLSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@@H](c1ccc(C[NH3+])o1)[NH+](C)C 258607324 573244614 /nfs/dbraw/zinc/24/46/14/573244614.db2.gz VMJFJXADFAHTRQ-ZETCQYMHSA-N 0 0 168.240 1.361 10 0 ADAERN CCOCCC(=O)O[C@]1(C)C[C@H]1C 308319893 573244624 /nfs/dbraw/zinc/24/46/24/573244624.db2.gz ZRYJGQFYXLGONU-PSASIEDQSA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@H](O)[C@](C)(O)c1ccncc1 238315907 573244627 /nfs/dbraw/zinc/24/46/27/573244627.db2.gz AUTYHJWKIZFPMM-VHSXEESVSA-N 0 0 181.235 1.060 10 0 ADAERN COC(C)(C)C(=O)c1ccnn1C 86071483 573244639 /nfs/dbraw/zinc/24/46/39/573244639.db2.gz UCHOUWMBBZNGTN-UHFFFAOYSA-N 0 0 182.223 1.028 10 0 ADAERN CCC[C@@H](O)C(C)(C)OC 86072087 573244644 /nfs/dbraw/zinc/24/46/44/573244644.db2.gz FKHKYMZMHGXYNC-SSDOTTSWSA-N 0 0 146.230 1.572 10 0 ADAERN COC(=O)[C@]1(O)C[C@H](C)CC[C@H]1C 82861882 573244659 /nfs/dbraw/zinc/24/46/59/573244659.db2.gz LJJRIUYZGDHUKH-MRTMQBJTSA-N 0 0 186.251 1.347 10 0 ADAERN C[C@H](CCCC[NH3+])CC(=O)[O-] 77954306 573244687 /nfs/dbraw/zinc/24/46/87/573244687.db2.gz CQRZLGZCTXPDBD-SSDOTTSWSA-N 0 0 159.229 1.226 10 0 ADAERN C[C@H](c1ccc(C[NH3+])o1)[NH+](C)C 258607323 573244696 /nfs/dbraw/zinc/24/46/96/573244696.db2.gz VMJFJXADFAHTRQ-SSDOTTSWSA-N 0 0 168.240 1.361 10 0 ADAERN CCC(=O)N(C)c1ccc(NC)nc1 259045352 573244030 /nfs/dbraw/zinc/24/40/30/573244030.db2.gz GMJIYYVRFWAFFH-UHFFFAOYSA-N 0 0 193.250 1.496 10 0 ADAERN CCO/C=C/C[C@H](C)O 238315169 573244052 /nfs/dbraw/zinc/24/40/52/573244052.db2.gz XLSIVFVTZYFXCL-KNIZRNDPSA-N 0 0 130.187 1.308 10 0 ADAERN O=C(CC1=NCCO1)C1CCCCC1 259046719 573244063 /nfs/dbraw/zinc/24/40/63/573244063.db2.gz CSMAMPNWHMNLBE-UHFFFAOYSA-N 0 0 195.262 1.955 10 0 ADAERN CC(=O)CCC(=O)OC[C@H]1C[C@@H]1C 308320045 573244064 /nfs/dbraw/zinc/24/40/64/573244064.db2.gz XXUIIUZJFVQLAE-IONNQARKSA-N 0 0 184.235 1.555 10 0 ADAERN CO[C@H](C)Cc1noc(NC(C)C)n1 129157687 573244084 /nfs/dbraw/zinc/24/40/84/573244084.db2.gz DZBXOZOZPLOWBH-SSDOTTSWSA-N 0 0 199.254 1.467 10 0 ADAERN C[C@@H]1CCC[C@@]2(CC(=O)N2)[C@@H]1C 82862519 573244085 /nfs/dbraw/zinc/24/40/85/573244085.db2.gz FIYLJHZVRCVUPT-NQMVMOMDSA-N 0 0 167.252 1.701 10 0 ADAERN C/C=C\[C@@H](C)C[C@H](C[NH3+])CC(=O)[O-] 77950319 573244135 /nfs/dbraw/zinc/24/41/35/573244135.db2.gz HEHWAGOHHVUWGC-NESOUNQCSA-N 0 0 185.267 1.638 10 0 ADAERN O=C1O[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2O1 105225346 573244155 /nfs/dbraw/zinc/24/41/55/573244155.db2.gz QQMUMNUFDIFJHZ-KVFPUHGPSA-N 0 0 166.176 1.486 10 0 ADAERN C[C@@H]1CC[C@@]2(CC(=O)N2)[C@H](C)C1 82862521 573244169 /nfs/dbraw/zinc/24/41/69/573244169.db2.gz BJLDLUWBLRYMTE-NQMVMOMDSA-N 0 0 167.252 1.701 10 0 ADAERN CCCNc1nc(C[C@@H](C)OC)no1 129156721 573244175 /nfs/dbraw/zinc/24/41/75/573244175.db2.gz BERQRQFDWMUOLR-SSDOTTSWSA-N 0 0 199.254 1.469 10 0 ADAERN CNC(=O)[C@@H]1CC[C@@H](C)[C@@H]1C 238315958 573244189 /nfs/dbraw/zinc/24/41/89/573244189.db2.gz NQYBCHNSHQYMJG-GJMOJQLCSA-N 0 0 155.241 1.415 10 0 ADAERN COC(=O)N[C@@H](C)[C@H]1CCCC1=O 238316012 573244711 /nfs/dbraw/zinc/24/47/11/573244711.db2.gz LNGXASBDWKGKFH-NKWVEPMBSA-N 0 0 185.223 1.100 10 0 ADAERN C[C@H](CCC(=O)[O-])[N@@H+]1CC[C@H](F)C1 689936895 573244213 /nfs/dbraw/zinc/24/42/13/573244213.db2.gz WYECPQFIJAPYKX-SFYZADRCSA-N 0 0 189.230 1.284 10 0 ADAERN CCc1ccccc1[C@@](C)(O)CO 238315086 573244243 /nfs/dbraw/zinc/24/42/43/573244243.db2.gz VPHNOUJKERVSMM-NSHDSACASA-N 0 0 180.247 1.449 10 0 ADAERN C[C@@H](CCC(=O)[O-])[N@@H+]1CC[C@H](F)C1 689936897 573244247 /nfs/dbraw/zinc/24/42/47/573244247.db2.gz WYECPQFIJAPYKX-YUMQZZPRSA-N 0 0 189.230 1.284 10 0 ADAERN C/C=C/C(=O)OCCOC1CCC1 308320387 573244715 /nfs/dbraw/zinc/24/47/15/573244715.db2.gz YDSIBOMNKLBVNL-DUXPYHPUSA-N 0 0 184.235 1.675 10 0 ADAERN COC(C)(C)c1nc(C=O)cs1 86071178 573244270 /nfs/dbraw/zinc/24/42/70/573244270.db2.gz PJLHAFMBOCMLSX-UHFFFAOYSA-N 0 0 185.248 1.837 10 0 ADAERN COC(C)(C)C(=O)c1cccnc1N 86071415 573244277 /nfs/dbraw/zinc/24/42/77/573244277.db2.gz CYFAKAIVLLNTIY-UHFFFAOYSA-N 0 0 194.234 1.272 10 0 ADAERN O=C1CC[C@H]([C@@H]2CCSC2)N1 257977112 573244308 /nfs/dbraw/zinc/24/43/08/573244308.db2.gz ZIEANTSEZNDOIT-RNFRBKRXSA-N 0 0 171.265 1.018 10 0 ADAERN CCO[C@H]1C[C@H]1c1nnc(N)s1 689937258 573244309 /nfs/dbraw/zinc/24/43/09/573244309.db2.gz DEDVLVNSJVHSNW-UHNVWZDZSA-N 0 0 185.252 1.013 10 0 ADAERN COC(=O)[C@H](F)CC1CC1 258607452 573244317 /nfs/dbraw/zinc/24/43/17/573244317.db2.gz VOFPBVKPQPDYMB-ZCFIWIBFSA-N 0 0 146.161 1.298 10 0 ADAERN COC(=O)Cc1ccc2ncoc2c1 259044144 573244318 /nfs/dbraw/zinc/24/43/18/573244318.db2.gz DCQUCJZPGHOZRF-UHFFFAOYSA-N 0 0 191.186 1.543 10 0 ADAERN COCC1=C[C@@]1(CO)c1ccccc1 214599031 573244326 /nfs/dbraw/zinc/24/43/26/573244326.db2.gz OEFIOPGNAUBVOP-GFCCVEGCSA-N 0 0 190.242 1.503 10 0 ADAERN C[C@@]1([C@H]2CCCS2)CNC(=O)C1 257976975 573244336 /nfs/dbraw/zinc/24/43/36/573244336.db2.gz ZFFZQGJUMMONID-APPZFPTMSA-N 0 0 185.292 1.408 10 0 ADAERN CO[C@H](C)Cc1noc(NC2CC2)n1 129158796 573244353 /nfs/dbraw/zinc/24/43/53/573244353.db2.gz AFXYVCFYRYCQGR-ZCFIWIBFSA-N 0 0 197.238 1.221 10 0 ADAERN CCC(=O)OC[C@H]1CCO[C@H](C)C1 308321176 573244363 /nfs/dbraw/zinc/24/43/63/573244363.db2.gz YSABTXSEMBVAEU-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)CCc1cccnc1F 257977032 573244369 /nfs/dbraw/zinc/24/43/69/573244369.db2.gz ZGGKMZVDQQBARG-UHFFFAOYSA-N 0 0 183.182 1.326 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)[C@@H]1C 82860494 573244372 /nfs/dbraw/zinc/24/43/72/573244372.db2.gz ZOTBJUBWUMKVSQ-ATZCPNFKSA-N 0 0 199.294 1.875 10 0 ADAERN Cn1[nH]c(=O)c2cc(F)ccc21 258607273 573244374 /nfs/dbraw/zinc/24/43/74/573244374.db2.gz VLMOPCXXEPPZHF-UHFFFAOYSA-N 0 0 166.155 1.006 10 0 ADAERN COC(=O)[C@]1(O)C[C@H](C)CC[C@@H]1C 82861880 573244383 /nfs/dbraw/zinc/24/43/83/573244383.db2.gz LJJRIUYZGDHUKH-WEDXCCLWSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@@H](C)[C@@H](O)C(=O)NC1(C)CC1 308321180 573244403 /nfs/dbraw/zinc/24/44/03/573244403.db2.gz YSFHXCCWCLKKMM-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN CNC(=O)[C@@H]1CC[C@H](C)[C@@H]1C 238316066 573244416 /nfs/dbraw/zinc/24/44/16/573244416.db2.gz NQYBCHNSHQYMJG-BIIVOSGPSA-N 0 0 155.241 1.415 10 0 ADAERN C[C@@H]1CC[C@@H](NN)[C@H](C)C1 82860460 573244419 /nfs/dbraw/zinc/24/44/19/573244419.db2.gz LMFLGAWIYDUVOB-BWZBUEFSSA-N 0 0 142.246 1.274 10 0 ADAERN CCC(=O)NCCc1cccc(N)c1 308521243 573244445 /nfs/dbraw/zinc/24/44/45/573244445.db2.gz HVTLPQSHSWTUJQ-UHFFFAOYSA-N 0 0 192.262 1.338 10 0 ADAERN N#CNc1ccc(-c2ccc[nH]2)nn1 259391372 573244455 /nfs/dbraw/zinc/24/44/55/573244455.db2.gz UYLACCJFQGPCAU-UHFFFAOYSA-N 0 0 185.190 1.365 10 0 ADAERN COC(=O)[C@]1(O)C[C@@H](C)CC[C@H]1C 82861883 573244457 /nfs/dbraw/zinc/24/44/57/573244457.db2.gz LJJRIUYZGDHUKH-XKSSXDPKSA-N 0 0 186.251 1.347 10 0 ADAERN CN[C@]1(C(=O)OC)CC[C@@H](C)C[C@H]1C 82860574 573244490 /nfs/dbraw/zinc/24/44/90/573244490.db2.gz IFFUNRCVPVVATN-FXPVBKGRSA-N 0 0 199.294 1.574 10 0 ADAERN CN(C#N)c1ncc(-c2cc[nH]c2)cn1 259389301 573244513 /nfs/dbraw/zinc/24/45/13/573244513.db2.gz JUVRZESKZUXQMJ-UHFFFAOYSA-N 0 0 199.217 1.389 10 0 ADAERN Cc1noc(N)c1[C@H]1CCSC1 257977122 573244520 /nfs/dbraw/zinc/24/45/20/573244520.db2.gz ZIHHJDQKKQHIEX-LURJTMIESA-N 0 0 184.264 1.786 10 0 ADAERN CN[C@]1(C(=O)OC)CCC[C@@H](C)[C@H]1C 82860578 573244531 /nfs/dbraw/zinc/24/45/31/573244531.db2.gz DVGPGODGYQGSHS-FXPVBKGRSA-N 0 0 199.294 1.574 10 0 ADAERN CCc1oc(C(=O)OC)nc1OC 259604275 573244541 /nfs/dbraw/zinc/24/45/41/573244541.db2.gz DDNLODRNLWGQAQ-UHFFFAOYSA-N 0 0 185.179 1.032 10 0 ADAERN COC(=O)C1=C[C@@H]2CCCC[C@@H]2[C@@H]1O 238316484 573250697 /nfs/dbraw/zinc/25/06/97/573250697.db2.gz ZFBWXXJVYATQAC-NRPADANISA-N 0 0 196.246 1.267 10 0 ADAERN COc1ccc([C@@H]2CCO[C@H]2O)cc1 197251560 573250700 /nfs/dbraw/zinc/25/07/00/573250700.db2.gz FSRSSFABOSIGOZ-WDEREUQCSA-N 0 0 194.230 1.518 10 0 ADAERN COc1c(C)c(C)cc(C)c1C(N)=O 259049153 573250722 /nfs/dbraw/zinc/25/07/22/573250722.db2.gz CUIBQZZJINGALT-UHFFFAOYSA-N 0 0 193.246 1.719 10 0 ADAERN CCOC(=O)N(C)c1cnn(C)c1 308405826 573600503 /nfs/dbraw/zinc/60/05/03/573600503.db2.gz JQCGYECDUBHKPW-UHFFFAOYSA-N 0 0 183.211 1.013 10 0 ADAERN Nc1nnc(NC(C2CC2)C2CC2)o1 236395817 573600516 /nfs/dbraw/zinc/60/05/16/573600516.db2.gz RMCFALAKZXWKSH-UHFFFAOYSA-N 0 0 194.238 1.252 10 0 ADAERN CC[NH+](CC)C[C@@](C)(F)CC(=O)[O-] 257835966 573600519 /nfs/dbraw/zinc/60/05/19/573600519.db2.gz KRLOPIMKXYOSEK-VIFPVBQESA-N 0 0 191.246 1.531 10 0 ADAERN CCC[C@H]1CC(=O)N[C@@H]1C 78730674 573600533 /nfs/dbraw/zinc/60/05/33/573600533.db2.gz UUALIQLYNNKQIM-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN CCCC[C@H](C)NC(C)=O 78730304 573600554 /nfs/dbraw/zinc/60/05/54/573600554.db2.gz UMBQKVCVCZEWSY-ZETCQYMHSA-N 0 0 143.230 1.701 10 0 ADAERN Cn1cc(-c2cscc2C=O)cn1 75525304 573600567 /nfs/dbraw/zinc/60/05/67/573600567.db2.gz CJYLVQWFRHPFGQ-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN CC1(C)C(=O)CCCN1C(=O)C1CC1 259139769 573600568 /nfs/dbraw/zinc/60/05/68/573600568.db2.gz MHYHGSMNRKXUIU-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H]1[C@H](CC(=O)[O-])CCCC[N@@H+]1C 238457250 573600575 /nfs/dbraw/zinc/60/05/75/573600575.db2.gz FPULSPFTGZCTNP-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN COCCCc1nc([C@@H](C)O)co1 258071065 573600588 /nfs/dbraw/zinc/60/05/88/573600588.db2.gz QJJPQMSUYILKNF-SSDOTTSWSA-N 0 0 185.223 1.307 10 0 ADAERN CCC(CC)[C@H]1CC(=O)N1 78730972 573600596 /nfs/dbraw/zinc/60/05/96/573600596.db2.gz FMVIJZWROYOQNA-SSDOTTSWSA-N 0 0 141.214 1.311 10 0 ADAERN Cc1c(CO)cnc(C(F)F)c1F 238457438 573600632 /nfs/dbraw/zinc/60/06/32/573600632.db2.gz DFFRXXNPGBQEGE-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(C)C[C@@H](O)[C@H]1CCCO1 83711318 573600633 /nfs/dbraw/zinc/60/06/33/573600633.db2.gz WRBJLLBJZPUEAV-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN NNCNc1cc(Cl)ccc1F 259138813 573600635 /nfs/dbraw/zinc/60/06/35/573600635.db2.gz RFWYNMLOWZYERF-UHFFFAOYSA-N 0 0 189.621 1.312 10 0 ADAERN CNC(=O)[C@@H]1[C@@H](C)CC=CC1(C)C 238317534 573250206 /nfs/dbraw/zinc/25/02/06/573250206.db2.gz LVWUXMYODLSOIR-IUCAKERBSA-N 0 0 181.279 1.971 10 0 ADAERN COC(C)(C)c1nc(CO)cs1 86075627 573250231 /nfs/dbraw/zinc/25/02/31/573250231.db2.gz OSEBZTTZRFMELF-UHFFFAOYSA-N 0 0 187.264 1.517 10 0 ADAERN Cc1oncc1NC(=O)C1CCC1 116202749 573250254 /nfs/dbraw/zinc/25/02/54/573250254.db2.gz MSZQMIAWOCHXTN-UHFFFAOYSA-N 0 0 180.207 1.722 10 0 ADAERN COC(=O)N[C@@H](O)[C@@]1(C)CC=CCC1 238316829 573250279 /nfs/dbraw/zinc/25/02/79/573250279.db2.gz IUKRKCJNJMQRGK-WPRPVWTQSA-N 0 0 199.250 1.407 10 0 ADAERN CCc1cc2cc(C)nn2c(N)n1 238316903 573250313 /nfs/dbraw/zinc/25/03/13/573250313.db2.gz QKCWQCGXJVOIGW-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CCn1cncc1COC(C)C 257983683 573250314 /nfs/dbraw/zinc/25/03/14/573250314.db2.gz AZRCCSWMDOKJFX-UHFFFAOYSA-N 0 0 168.240 1.828 10 0 ADAERN 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573600720 /nfs/dbraw/zinc/60/07/20/573600720.db2.gz YPNAFFOUFOLHIA-SECBINFHSA-N 0 0 191.230 1.092 10 0 ADAERN CC(C)OCc1cn(C)cn1 257980883 573258098 /nfs/dbraw/zinc/25/80/98/573258098.db2.gz ARHCMTXMWDFOGE-UHFFFAOYSA-N 0 0 154.213 1.345 10 0 ADAERN CNC(=[NH2+])c1c([O-])cccc1F 238319277 573258099 /nfs/dbraw/zinc/25/80/99/573258099.db2.gz TVSZYXWGZKASQQ-UHFFFAOYSA-N 0 0 168.171 1.076 10 0 ADAERN OCCCc1nnc(Cl)s1 86085635 573258107 /nfs/dbraw/zinc/25/81/07/573258107.db2.gz HKHXFELICILKND-UHFFFAOYSA-N 0 0 178.644 1.116 10 0 ADAERN CC[C@H]1CO[C@H]2CC(=O)C[C@@H]1O2 238319452 573258130 /nfs/dbraw/zinc/25/81/30/573258130.db2.gz KVTDOOCWWXLMJS-CNUIFLNQSA-N 0 0 170.208 1.117 10 0 ADAERN NC(=O)c1nc(-c2ccc[nH]2)cs1 259394043 573258136 /nfs/dbraw/zinc/25/81/36/573258136.db2.gz VCCWRGNKZVSGCI-UHFFFAOYSA-N 0 0 193.231 1.237 10 0 ADAERN OC[C@@H]1CCNc2cc(O)ccc21 257980613 573258139 /nfs/dbraw/zinc/25/81/39/573258139.db2.gz ZPGCTFAZYMKXGZ-ZETCQYMHSA-N 0 0 179.219 1.284 10 0 ADAERN Nc1cc(N2CC=CC2)ccc1F 116295106 573258143 /nfs/dbraw/zinc/25/81/43/573258143.db2.gz AIYWJTDFXOKOOG-UHFFFAOYSA-N 0 0 178.210 1.784 10 0 ADAERN CN1CC(=O)N=C1C[C@@H]1CCCCO1 236061992 573258171 /nfs/dbraw/zinc/25/81/71/573258171.db2.gz KYGYSBBDRCDPNE-QMMMGPOBSA-N 0 0 196.250 1.237 10 0 ADAERN O=C1Cc2c(ccc(O)c2Cl)N1 257980657 573258174 /nfs/dbraw/zinc/25/81/74/573258174.db2.gz WTBOLNSYOCUANK-UHFFFAOYSA-N 0 0 183.594 1.540 10 0 ADAERN C[C@H](O)CCC(=O)Nc1ccsc1 86086780 573258175 /nfs/dbraw/zinc/25/81/75/573258175.db2.gz UMVVTGYQNHZNFX-ZETCQYMHSA-N 0 0 199.275 1.848 10 0 ADAERN CO[C@@H](C)c1nnc(CC(C)C)o1 308329274 573258180 /nfs/dbraw/zinc/25/81/80/573258180.db2.gz HVPPKNQWKUNRDO-ZETCQYMHSA-N 0 0 184.239 1.976 10 0 ADAERN Cc1nc2n(c1C)C(=O)C=C2 142310264 573258190 /nfs/dbraw/zinc/25/81/90/573258190.db2.gz AZUJUHQAALCAJO-UHFFFAOYSA-N 0 0 148.165 1.167 10 0 ADAERN O=C1C[C@@H](CO)[C@@H](CC2CCCC2)N1 215116132 573258210 /nfs/dbraw/zinc/25/82/10/573258210.db2.gz CFJMFWZSZOCLNL-VHSXEESVSA-N 0 0 197.278 1.064 10 0 ADAERN CCCc1nc(C=O)co1 257980355 573258216 /nfs/dbraw/zinc/25/82/16/573258216.db2.gz HNBDHXJKPQAAAE-UHFFFAOYSA-N 0 0 139.154 1.440 10 0 ADAERN COC(=O)/C=C\C[C@H]1CCSC1 258262311 573258218 /nfs/dbraw/zinc/25/82/18/573258218.db2.gz RHNKIEOYCLDUJO-LTMVXPGCSA-N 0 0 186.276 1.859 10 0 ADAERN CC[C@]1(C)OC(=N)C2=C1NCCS2 238319308 573258224 /nfs/dbraw/zinc/25/82/24/573258224.db2.gz WPTRWGDKDPJODY-VIFPVBQESA-N 0 0 198.291 1.501 10 0 ADAERN C[N@@H+]1CCC[C@@H]1C/C=C\CC(=O)[O-] 258264427 573258236 /nfs/dbraw/zinc/25/82/36/573258236.db2.gz RKFDKXWVWTZLRT-XADBCAIWSA-N 0 0 183.251 1.502 10 0 ADAERN CO[C@H](CO)c1ccccc1F 258613709 573258289 /nfs/dbraw/zinc/25/82/89/573258289.db2.gz WBGQPVIWBHTRRA-SECBINFHSA-N 0 0 170.183 1.506 10 0 ADAERN C/C=C/[C@@H](O)[C@@H](O)c1ccccc1 142335503 573258307 /nfs/dbraw/zinc/25/83/07/573258307.db2.gz PPWSYJNJVOLOQY-IEBGOTJBSA-N 0 0 178.231 1.657 10 0 ADAERN C[C@H](CO)c1ccc(O)cc1C=O 257980819 573258313 /nfs/dbraw/zinc/25/83/13/573258313.db2.gz JOSICSFEJIIOCQ-SSDOTTSWSA-N 0 0 180.203 1.301 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@@H](O)CO1 142341265 573258314 /nfs/dbraw/zinc/25/83/14/573258314.db2.gz AKLHWFHRFLGBTJ-SFYZADRCSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@@H]1CCCn2cnc(Cl)c21 258264450 573258326 /nfs/dbraw/zinc/25/83/26/573258326.db2.gz MMCHEABTLCEKEA-RXMQYKEDSA-N 0 0 172.615 1.364 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1C/C=C\C(=O)[O-] 258264650 573258344 /nfs/dbraw/zinc/25/83/44/573258344.db2.gz RNAWTRXGMBHJLO-WQAKUFEDSA-N 0 0 183.251 1.502 10 0 ADAERN OCCCCc1nnc(Cl)s1 86086927 573258346 /nfs/dbraw/zinc/25/83/46/573258346.db2.gz MBDOCBAXEQDGRX-UHFFFAOYSA-N 0 0 192.671 1.507 10 0 ADAERN C[C@H](O)CCCn1ccc(C=O)c1 308329057 573258349 /nfs/dbraw/zinc/25/83/49/573258349.db2.gz JFZHXQZUTQFBCE-VIFPVBQESA-N 0 0 181.235 1.462 10 0 ADAERN O=C1N[C@@H](C2CCCCC2)C[C@H]1CO 215116482 573258365 /nfs/dbraw/zinc/25/83/65/573258365.db2.gz HDICAVPDXYXTGO-VHSXEESVSA-N 0 0 197.278 1.064 10 0 ADAERN CCN1CCC[C@@H]1c1ncc(CO)o1 258262729 573258370 /nfs/dbraw/zinc/25/83/70/573258370.db2.gz XKHHLMGXDSCCJK-SECBINFHSA-N 0 0 196.250 1.324 10 0 ADAERN C[C@@H]1COc2cccnc2O1 142341544 573258374 /nfs/dbraw/zinc/25/83/74/573258374.db2.gz MLPKVGPUYKKZDZ-ZCFIWIBFSA-N 0 0 151.165 1.241 10 0 ADAERN CO[C@@H]1CCOc2cccc(O)c21 257980761 573258390 /nfs/dbraw/zinc/25/83/90/573258390.db2.gz ZRMKSEAOZLEMRK-MRVPVSSYSA-N 0 0 180.203 1.862 10 0 ADAERN [O-][n+]1c(Cl)ccc2c1CCC2 142321881 573258402 /nfs/dbraw/zinc/25/84/02/573258402.db2.gz XWKAUCDKZPTNJC-UHFFFAOYSA-N 0 0 169.611 1.462 10 0 ADAERN CC(C)[C@@H]1CCCC[C@]1([NH3+])C(=O)[O-] 116319371 573258423 /nfs/dbraw/zinc/25/84/23/573258423.db2.gz QLVXDMJEWDAABN-WCBMZHEXSA-N 0 0 185.267 1.615 10 0 ADAERN Oc1c2cccc1OCCO2 142340375 573258437 /nfs/dbraw/zinc/25/84/37/573258437.db2.gz LYGQAVYYYICJDV-UHFFFAOYSA-N 0 0 152.149 1.163 10 0 ADAERN O=C1N[C@H](C2CCCCC2)C[C@@H]1CO 215116342 573258448 /nfs/dbraw/zinc/25/84/48/573258448.db2.gz HDICAVPDXYXTGO-ZJUUUORDSA-N 0 0 197.278 1.064 10 0 ADAERN CCc1cc(CCO)cc(OC)c1 257980871 573258456 /nfs/dbraw/zinc/25/84/56/573258456.db2.gz JRWWUQNVMMVQJE-UHFFFAOYSA-N 0 0 180.247 1.792 10 0 ADAERN CN1CC(=O)N=C1[C@H]1CC1(C)C 236062742 573258470 /nfs/dbraw/zinc/25/84/70/573258470.db2.gz CPAOTVHTURTSLJ-ZCFIWIBFSA-N 0 0 166.224 1.639 10 0 ADAERN CO[C@H]1CCOc2cccc(O)c21 257980763 573258490 /nfs/dbraw/zinc/25/84/90/573258490.db2.gz ZRMKSEAOZLEMRK-QMMMGPOBSA-N 0 0 180.203 1.862 10 0 ADAERN C[C@H](O)CCc1nnc(Cl)s1 86085633 573258494 /nfs/dbraw/zinc/25/84/94/573258494.db2.gz AHMAEWJYLDCPNP-BYPYZUCNSA-N 0 0 192.671 1.505 10 0 ADAERN CC(=O)c1cc(C)cc2c1OCCO2 257981647 573258495 /nfs/dbraw/zinc/25/84/95/573258495.db2.gz DUARKVCIZJZOPL-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN CNC(=O)CCCOCC(F)(F)F 308329293 573258508 /nfs/dbraw/zinc/25/85/08/573258508.db2.gz HXIBFPXDWDIRHT-UHFFFAOYSA-N 0 0 199.172 1.092 10 0 ADAERN COCc1ncn2c1CCCC2 258264324 573259219 /nfs/dbraw/zinc/25/92/19/573259219.db2.gz MKUBOMIHYDHRPG-UHFFFAOYSA-N 0 0 166.224 1.366 10 0 ADAERN CC(C)(O)c1ncccc1Cl 219721815 573259224 /nfs/dbraw/zinc/25/92/24/573259224.db2.gz QEQGVZCHDSGXHR-UHFFFAOYSA-N 0 0 171.627 1.962 10 0 ADAERN Cc1[nH]c(CO)nc1C1CCCC1 257981500 573259244 /nfs/dbraw/zinc/25/92/44/573259244.db2.gz ZTNTVBGBMYPVBZ-UHFFFAOYSA-N 0 0 180.251 1.868 10 0 ADAERN CN1CC(=O)N=C1[C@@]1(C)CCCCO1 236062723 573259245 /nfs/dbraw/zinc/25/92/45/573259245.db2.gz XYAKXOBKILITOH-SNVBAGLBSA-N 0 0 196.250 1.541 10 0 ADAERN CCCc1nncnc1Cl 259058445 573259248 /nfs/dbraw/zinc/25/92/48/573259248.db2.gz DNEKOIYFIWIEKY-UHFFFAOYSA-N 0 0 157.604 1.478 10 0 ADAERN CNc1nc2cccccc-2n1 238325890 573259255 /nfs/dbraw/zinc/25/92/55/573259255.db2.gz DNYSDVDBTFEOCF-UHFFFAOYSA-N 0 0 159.192 1.623 10 0 ADAERN C[C@H](O)/C=C/[C@@](C)(O)C(C)(C)C 142386881 573259275 /nfs/dbraw/zinc/25/92/75/573259275.db2.gz AMQQPUKKHUIMBQ-GNUSTCSGSA-N 0 0 172.268 1.721 10 0 ADAERN CC(=O)c1nc(-c2cccnc2)c[nH]1 259057348 573259282 /nfs/dbraw/zinc/25/92/82/573259282.db2.gz JGRGVSAQAUFNIY-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN CC/C=C\C(=O)N(C)CCCCO 308329552 573259325 /nfs/dbraw/zinc/25/93/25/573259325.db2.gz IBMGAZILWJZFAT-DAXSKMNVSA-N 0 0 185.267 1.184 10 0 ADAERN NOCc1cc(Cl)c(F)cc1O 257981538 573259329 /nfs/dbraw/zinc/25/93/29/573259329.db2.gz DTDRPRWXYRZLAT-UHFFFAOYSA-N 0 0 191.589 1.575 10 0 ADAERN CC(=O)Nc1ncc2ccccc2n1 116310367 573259348 /nfs/dbraw/zinc/25/93/48/573259348.db2.gz HQRFZXWTQMMHRM-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN CC(=O)c1[nH]nc2c1C(F)(F)CC2 257981443 573259351 /nfs/dbraw/zinc/25/93/51/573259351.db2.gz ZSYAOATVPSGUHV-UHFFFAOYSA-N 0 0 186.161 1.650 10 0 ADAERN CNC(=O)N(C)c1ccccc1N 116323120 573259366 /nfs/dbraw/zinc/25/93/66/573259366.db2.gz LZXHUVXOEJNTAT-UHFFFAOYSA-N 0 0 179.223 1.044 10 0 ADAERN C[N@@H+]1CCCC[C@H]1C/C=C\C(=O)[O-] 258264653 573259367 /nfs/dbraw/zinc/25/93/67/573259367.db2.gz RNAWTRXGMBHJLO-WYDVEAGSSA-N 0 0 183.251 1.502 10 0 ADAERN C[C@@H](O)CCc1nc2cc[nH]cc-2n1 86085548 573258677 /nfs/dbraw/zinc/25/86/77/573258677.db2.gz BLYKWFKGAGQDBS-SSDOTTSWSA-N 0 0 191.234 1.271 10 0 ADAERN O=Cc1cc(F)ccc1CCCO 257981574 573258685 /nfs/dbraw/zinc/25/86/85/573258685.db2.gz DTHRJGWSXCDWIW-UHFFFAOYSA-N 0 0 182.194 1.563 10 0 ADAERN CN=[S@](C)(=O)c1ccc(N)cc1 142306637 573258721 /nfs/dbraw/zinc/25/87/21/573258721.db2.gz GRPIHZOOGIQPSE-GFCCVEGCSA-N 0 0 184.264 1.355 10 0 ADAERN COCc1ccc(F)c2c1CC[C@H]2O 238326285 573258738 /nfs/dbraw/zinc/25/87/38/573258738.db2.gz SNNRZADPDOGMSD-SNVBAGLBSA-N 0 0 196.221 1.952 10 0 ADAERN NOCc1cc(F)ccc1OC1CC1 257981481 573258760 /nfs/dbraw/zinc/25/87/60/573258760.db2.gz DSPADMMOOZYAJK-UHFFFAOYSA-N 0 0 197.209 1.757 10 0 ADAERN Cc1cc(C)cc([C@@H](O)[C@H](C)O)c1 235558171 573258810 /nfs/dbraw/zinc/25/88/10/573258810.db2.gz WASMWCUPUMRNNA-ONGXEEELSA-N 0 0 180.247 1.718 10 0 ADAERN COCc1ccc(N)cc1C 238326548 573258824 /nfs/dbraw/zinc/25/88/24/573258824.db2.gz CFMSCZFAARUEKP-UHFFFAOYSA-N 0 0 151.209 1.724 10 0 ADAERN COCc1ccccc1CCON 257980942 573258830 /nfs/dbraw/zinc/25/88/30/573258830.db2.gz JTHRSSFDHOVRFT-UHFFFAOYSA-N 0 0 181.235 1.266 10 0 ADAERN CNc1ncc(OC2CC2)cn1 238326963 573258831 /nfs/dbraw/zinc/25/88/31/573258831.db2.gz WPONQWUEWNGDJV-UHFFFAOYSA-N 0 0 165.196 1.060 10 0 ADAERN CCCC[C@H](C)N1CC[C@H]([NH3+])C1=O 50889044 573258863 /nfs/dbraw/zinc/25/88/63/573258863.db2.gz JQDJBAJBAKPYFN-IUCAKERBSA-N 0 0 184.283 1.125 10 0 ADAERN CCn1c(Br)c[nH]c1=O 258262558 573258884 /nfs/dbraw/zinc/25/88/84/573258884.db2.gz RXWXZCYIGHKVFF-UHFFFAOYSA-N 0 0 191.028 1.371 10 0 ADAERN CCc1[nH]nc2c(O)cccc12 258488367 573258896 /nfs/dbraw/zinc/25/88/96/573258896.db2.gz JUBUHYZJMOVNJT-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN CCOC(=O)N(C)CC(C)(C)OC 308329110 573258902 /nfs/dbraw/zinc/25/89/02/573258902.db2.gz HRSNUENIWCRRQA-UHFFFAOYSA-N 0 0 189.255 1.500 10 0 ADAERN CN1CC(=O)N=C1C1CCCC1 236061487 573258906 /nfs/dbraw/zinc/25/89/06/573258906.db2.gz MFQRBBIRNOMGKG-UHFFFAOYSA-N 0 0 166.224 1.783 10 0 ADAERN CSCc1coc(N)n1 258262880 573258912 /nfs/dbraw/zinc/25/89/12/573258912.db2.gz SBDPTZUNPIIVLH-UHFFFAOYSA-N 0 0 144.199 1.120 10 0 ADAERN O=C1C[C@@H](c2ccccc2F)ON1 257980679 573258939 /nfs/dbraw/zinc/25/89/39/573258939.db2.gz ZQEIUUJVVGAUEK-QMMMGPOBSA-N 0 0 181.166 1.318 10 0 ADAERN Cc1c(F)ccc(O)c1[C@H](C)CO 257981786 573258977 /nfs/dbraw/zinc/25/89/77/573258977.db2.gz DVWXIOFQQKULCV-ZCFIWIBFSA-N 0 0 184.210 1.936 10 0 ADAERN Fc1cccc([C@@H]2CCNN2)c1 258614187 573259008 /nfs/dbraw/zinc/25/90/08/573259008.db2.gz WDFDYMJEKPGSKX-VIFPVBQESA-N 0 0 166.199 1.365 10 0 ADAERN C[N@@H+]1CCC[C@H]1C/C=C\CC(=O)[O-] 258264423 573259045 /nfs/dbraw/zinc/25/90/45/573259045.db2.gz RKFDKXWVWTZLRT-PKRMOACSSA-N 0 0 183.251 1.502 10 0 ADAERN CONCc1cc(C)cc(OC)c1 257980881 573259053 /nfs/dbraw/zinc/25/90/53/573259053.db2.gz JSFXKNIXGQSVPV-UHFFFAOYSA-N 0 0 181.235 1.655 10 0 ADAERN COc1cc2c(C)[nH]nc2cc1C=O 259394392 573259083 /nfs/dbraw/zinc/25/90/83/573259083.db2.gz LCTHQPIWLAFYHZ-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN COC(=O)/C=C\CC[C@H](C)CCO 219746465 573259093 /nfs/dbraw/zinc/25/90/93/573259093.db2.gz FAFNPVJQMUXIOL-RNEXMXFGSA-N 0 0 186.251 1.514 10 0 ADAERN Cc1ccc(F)c(C[C@@H](C)O)c1O 257981603 573259098 /nfs/dbraw/zinc/25/90/98/573259098.db2.gz DTOWAWMRGQLQCG-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN CNc1nc(-c2ccccn2)c[nH]1 259059354 573259130 /nfs/dbraw/zinc/25/91/30/573259130.db2.gz JMCQCCYEXKDAPL-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CN1C=CN[C@H]1SC(C)(C)C 238326932 573259151 /nfs/dbraw/zinc/25/91/51/573259151.db2.gz TXSKMUBSVWNILU-SSDOTTSWSA-N 0 0 172.297 1.808 10 0 ADAERN COCc1coc(C)n1 257980913 573259156 /nfs/dbraw/zinc/25/91/56/573259156.db2.gz ASEMKYZYKICICV-UHFFFAOYSA-N 0 0 127.143 1.129 10 0 ADAERN O=C([O-])[C@H]1CC[C@H]1[NH2+]CC1CC=CC1 717302803 573259169 /nfs/dbraw/zinc/25/91/69/573259169.db2.gz FDDXCCBTZSHDBM-VHSXEESVSA-N 0 0 195.262 1.405 10 0 ADAERN Cc1ccccc1Cc1nc(=O)[nH]o1 257981564 573259186 /nfs/dbraw/zinc/25/91/86/573259186.db2.gz KWODBKOAPKJSHE-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN CC(C)(CCC1=CC[NH2+]CC1)C(=O)[O-] 257981405 573259204 /nfs/dbraw/zinc/25/92/04/573259204.db2.gz HEFZQBNHIUTACN-UHFFFAOYSA-N 0 0 197.278 1.797 10 0 ADAERN COCC1=CCCC[C@@H]1O 238327044 573263092 /nfs/dbraw/zinc/26/30/92/573263092.db2.gz FICHGPLHHNJHMJ-QMMMGPOBSA-N 0 0 142.198 1.104 10 0 ADAERN CC(C)C[C@H](O)COc1cccnc1 257983471 573263098 /nfs/dbraw/zinc/26/30/98/573263098.db2.gz CSPYDLMALXJTQK-JTQLQIEISA-N 0 0 195.262 1.867 10 0 ADAERN COC(=O)[C@H]1CC(C)(C)CCCN1 257983076 573263136 /nfs/dbraw/zinc/26/31/36/573263136.db2.gz ZWWQXXKSMDBYFE-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CNc1ncc(OC2CCCC2)cn1 238326987 573263163 /nfs/dbraw/zinc/26/31/63/573263163.db2.gz BIGUUQNOSZWGMO-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CO[C@H](c1ccc[nH]1)N(C)C 259056872 573262392 /nfs/dbraw/zinc/26/23/92/573262392.db2.gz CJYYXEJXTRBTRR-MRVPVSSYSA-N 0 0 154.213 1.221 10 0 ADAERN CN(CO)C(=O)c1ccc(Cl)cc1 238326611 573262414 /nfs/dbraw/zinc/26/24/14/573262414.db2.gz YRNKNYZKRLJJHK-UHFFFAOYSA-N 0 0 199.637 1.362 10 0 ADAERN C[C@@H](O)C/C=C/C(C)(C)CCO 238422433 573262417 /nfs/dbraw/zinc/26/24/17/573262417.db2.gz SMMCZQFCHIUPON-OTQAPUNGSA-N 0 0 172.268 1.722 10 0 ADAERN COC(=O)[C@H](CSC)C1CC1 258264350 573262431 /nfs/dbraw/zinc/26/24/31/573262431.db2.gz MLBTXCPRWBQUPQ-SSDOTTSWSA-N 0 0 174.265 1.549 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H](C)CC(F)F 308332480 573262446 /nfs/dbraw/zinc/26/24/46/573262446.db2.gz JMSMJMXMKWEZJP-NTSWFWBYSA-N 0 0 195.209 1.181 10 0 ADAERN c1cc(-c2cc[nH]n2)c[nH]1 259057599 573262455 /nfs/dbraw/zinc/26/24/55/573262455.db2.gz BBUAFZUZSRGSOD-UHFFFAOYSA-N 0 0 133.154 1.405 10 0 ADAERN CN1C(=O)Cc2cc(N)cc(Cl)c21 257982541 573262510 /nfs/dbraw/zinc/26/25/10/573262510.db2.gz XAOBTVDKNWYMIH-UHFFFAOYSA-N 0 0 196.637 1.441 10 0 ADAERN CC[C@](C)(O)CN1C[C@H](F)[C@@H](F)C1 714665245 573262522 /nfs/dbraw/zinc/26/25/22/573262522.db2.gz AECRIRSGZBHFLI-CIUDSAMLSA-N 0 0 193.237 1.139 10 0 ADAERN CCc1coc2c(=O)[nH]c(N)nc12 238325996 573262545 /nfs/dbraw/zinc/26/25/45/573262545.db2.gz NWQZBUSINRZZSI-UHFFFAOYSA-N 0 0 179.179 1.073 10 0 ADAERN CC[C@](C)(O)CN1C[C@H](F)[C@H](F)C1 714665253 573262556 /nfs/dbraw/zinc/26/25/56/573262556.db2.gz AECRIRSGZBHFLI-YIZRAAEISA-N 0 0 193.237 1.139 10 0 ADAERN COC/C=C/C1([C@H](C)O)CC1 142311071 573262570 /nfs/dbraw/zinc/26/25/70/573262570.db2.gz IDBGLGVIQWCBLA-RTMURIBGSA-N 0 0 156.225 1.350 10 0 ADAERN CCC1(C[C@@H](COC)NN)CCC1 308331936 573262577 /nfs/dbraw/zinc/26/25/77/573262577.db2.gz LGYVKWKPVIYLJH-VIFPVBQESA-N 0 0 186.299 1.435 10 0 ADAERN COP(=O)(OC)[C@H](O)C(C)C 142345800 573262588 /nfs/dbraw/zinc/26/25/88/573262588.db2.gz NQBBREZXGYAFLG-LURJTMIESA-N 0 0 182.156 1.447 10 0 ADAERN CCCC[C@@H](C)N1CCC(=O)C1=O 50888975 573262597 /nfs/dbraw/zinc/26/25/97/573262597.db2.gz KJSGLOZVASKRKA-MRVPVSSYSA-N 0 0 183.251 1.367 10 0 ADAERN COC(=O)c1c(F)ccc2ccnn12 238326978 573262602 /nfs/dbraw/zinc/26/26/02/573262602.db2.gz LIKYMEPNCSANMJ-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN Cn1ccnc1C(=O)[C@@H](O)C(C)(C)C 236066094 573262681 /nfs/dbraw/zinc/26/26/81/573262681.db2.gz YPLKZJRYHOPDFU-MRVPVSSYSA-N 0 0 196.250 1.010 10 0 ADAERN CC1(C)OC[C@H]([C@H]2CCC2=O)O1 142323922 573262687 /nfs/dbraw/zinc/26/26/87/573262687.db2.gz RAHVDDWGYQHVCC-POYBYMJQSA-N 0 0 170.208 1.117 10 0 ADAERN CC(=O)[C@H]1Cc2cc(O)ccc2O1 258261358 573262689 /nfs/dbraw/zinc/26/26/89/573262689.db2.gz YJWKNIKFNGFVEF-SNVBAGLBSA-N 0 0 178.187 1.285 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1)C[C@@H](C)N2 258261336 573262695 /nfs/dbraw/zinc/26/26/95/573262695.db2.gz YJULIQYCOCUKFP-RKDXNWHRSA-N 0 0 191.274 1.966 10 0 ADAERN COC(=S)S[C@@H](C)C(C)=O 238326433 573262725 /nfs/dbraw/zinc/26/27/25/573262725.db2.gz YIFQKEDMYCHOGY-YFKPBYRVSA-N 0 0 178.278 1.628 10 0 ADAERN OC[C@@]1(c2ccccc2)C=CCO1 142333130 573262742 /nfs/dbraw/zinc/26/27/42/573262742.db2.gz MJPSMKPDUJSKIS-LLVKDONJSA-N 0 0 176.215 1.461 10 0 ADAERN c1cnc2c(c1)nnn2C1CCC1 258264203 573262752 /nfs/dbraw/zinc/26/27/52/573262752.db2.gz ICSPTHCDNWITSS-UHFFFAOYSA-N 0 0 174.207 1.551 10 0 ADAERN CN1CC(=O)N=C1Cc1cccs1 236062347 573262761 /nfs/dbraw/zinc/26/27/61/573262761.db2.gz CZITWNACARNYLP-UHFFFAOYSA-N 0 0 194.259 1.778 10 0 ADAERN c1cc2c(-c3cn[nH]c3)c[nH+][n-]c-2n1 116375281 573262796 /nfs/dbraw/zinc/26/27/96/573262796.db2.gz ROTSYDOHXUWVJL-UHFFFAOYSA-N 0 0 185.190 1.348 10 0 ADAERN C[C@H](CO)Cc1ccc(N(C)C)cc1 308531695 573262797 /nfs/dbraw/zinc/26/27/97/573262797.db2.gz CWIOOIYBEAFMAG-JTQLQIEISA-N 0 0 193.290 1.924 10 0 ADAERN CNC(=O)[C@H]1C(C)=C[C@H](O)CC1(C)C 238326916 573262805 /nfs/dbraw/zinc/26/28/05/573262805.db2.gz CFIPTYUORNKPOF-DTWKUNHWSA-N 0 0 197.278 1.086 10 0 ADAERN COCc1cc(CCCO)ccc1F 258260284 573262818 /nfs/dbraw/zinc/26/28/18/573262818.db2.gz YLDLBPTYHFCCBO-UHFFFAOYSA-N 0 0 198.237 1.897 10 0 ADAERN CNc1cc(C)c(N=O)c(NC)n1 238326737 573262826 /nfs/dbraw/zinc/26/28/26/573262826.db2.gz UWASVBXUPQRPAT-UHFFFAOYSA-N 0 0 180.211 1.871 10 0 ADAERN CN1N=C(N)S[C@@H]1c1ccccc1 238326369 573262834 /nfs/dbraw/zinc/26/28/34/573262834.db2.gz PJXMFOFLLYIBLW-MRVPVSSYSA-N 0 0 193.275 1.594 10 0 ADAERN COCc1ccc(O)cc1N 238326975 573262868 /nfs/dbraw/zinc/26/28/68/573262868.db2.gz LEJHEIWAMAVROE-UHFFFAOYSA-N 0 0 153.181 1.121 10 0 ADAERN C[C@@H](CO)N(C)c1ccc(N)cc1F 123932415 573262873 /nfs/dbraw/zinc/26/28/73/573262873.db2.gz OPGRORKSDNHVEL-ZETCQYMHSA-N 0 0 198.241 1.225 10 0 ADAERN CCCC[C@H](C)N1CCC(=O)C1=O 50888976 573262880 /nfs/dbraw/zinc/26/28/80/573262880.db2.gz KJSGLOZVASKRKA-QMMMGPOBSA-N 0 0 183.251 1.367 10 0 ADAERN COc1ccc2cc(N)ncc2c1 116326522 573262892 /nfs/dbraw/zinc/26/28/92/573262892.db2.gz HOGNMHYGXADKCF-UHFFFAOYSA-N 0 0 174.203 1.826 10 0 ADAERN NOCCc1cccc2c1OCC2 257982753 573262895 /nfs/dbraw/zinc/26/28/95/573262895.db2.gz JWKCRBMJNRMTHE-UHFFFAOYSA-N 0 0 179.219 1.054 10 0 ADAERN COC(=O)[C@@]1(C)Cc2ccc(O)cc21 238325887 573262908 /nfs/dbraw/zinc/26/29/08/573262908.db2.gz CQGLZDSPNLBPIG-NSHDSACASA-N 0 0 192.214 1.379 10 0 ADAERN CCCC(=O)CN1C[C@H](C)OC[C@@H]1C 50184142 573262911 /nfs/dbraw/zinc/26/29/11/573262911.db2.gz GNOXLCUZVHFPKS-UWVGGRQHSA-N 0 0 199.294 1.465 10 0 ADAERN C[NH2+][C@@H](C)c1cc(F)ccc1C(=O)[O-] 238326477 573262914 /nfs/dbraw/zinc/26/29/14/573262914.db2.gz YTYJYAFAVKYHJH-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN CCc1n[nH]c(=S)[nH]c1=S 238327045 573262919 /nfs/dbraw/zinc/26/29/19/573262919.db2.gz CTVZPCYZDRZDMJ-UHFFFAOYSA-N 0 0 173.266 1.759 10 0 ADAERN CC(C)CN(C)C(=O)N1CCCO1 308332611 573262921 /nfs/dbraw/zinc/26/29/21/573262921.db2.gz LQZXNBHXJAXRPB-UHFFFAOYSA-N 0 0 186.255 1.332 10 0 ADAERN CN1C=CN[C@@H]1c1cccc(O)c1 238326896 573262927 /nfs/dbraw/zinc/26/29/27/573262927.db2.gz GUUNHIMJDFORMN-JTQLQIEISA-N 0 0 176.219 1.397 10 0 ADAERN CC(C)Nc1cc2ncc(N)cn2n1 116340890 573262929 /nfs/dbraw/zinc/26/29/29/573262929.db2.gz WCGBOWYHFPJGHD-UHFFFAOYSA-N 0 0 191.238 1.132 10 0 ADAERN CCCc1ccc2ncc(CO)n2n1 259056861 573262939 /nfs/dbraw/zinc/26/29/39/573262939.db2.gz MCGKRFUCAAFOKN-UHFFFAOYSA-N 0 0 191.234 1.174 10 0 ADAERN CNc1cc2ccccc2nn1 230542413 573262941 /nfs/dbraw/zinc/26/29/41/573262941.db2.gz OJHIUHWEQODQEW-UHFFFAOYSA-N 0 0 159.192 1.672 10 0 ADAERN CNC(=O)[C@H]1C(C)=C[C@@H](O)CC1(C)C 238326902 573262961 /nfs/dbraw/zinc/26/29/61/573262961.db2.gz CFIPTYUORNKPOF-RKDXNWHRSA-N 0 0 197.278 1.086 10 0 ADAERN Cc1cc(/C=C(\[NH3+])C(=O)[O-])cc(C)n1 308530865 573262969 /nfs/dbraw/zinc/26/29/69/573262969.db2.gz CJLSBKMFDHSUDK-UITAMQMPSA-N 0 0 192.218 1.083 10 0 ADAERN CCCC(=O)CN1CCOCC1(C)C 50184189 573262973 /nfs/dbraw/zinc/26/29/73/573262973.db2.gz GUEVNVVZTSTJKG-UHFFFAOYSA-N 0 0 199.294 1.466 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)COCC2 257984843 573262982 /nfs/dbraw/zinc/26/29/82/573262982.db2.gz FBVQXBQVYYSAHR-SECBINFHSA-N 0 0 192.258 1.855 10 0 ADAERN Clc1ncnnc1-c1ccccn1 259061451 573262987 /nfs/dbraw/zinc/26/29/87/573262987.db2.gz DREGHZPXYKKRAU-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN COC(=O)OC/C=C(/C)CCCO 238325880 573262989 /nfs/dbraw/zinc/26/29/89/573262989.db2.gz YLYUKNJQDMOICZ-YVMONPNESA-N 0 0 188.223 1.488 10 0 ADAERN CCCCCCN1CC(=O)N(C)C1 308332085 573262990 /nfs/dbraw/zinc/26/29/90/573262990.db2.gz JFJHPVKIMRBGIP-UHFFFAOYSA-N 0 0 184.283 1.298 10 0 ADAERN NOCc1ccccc1CC(F)F 257984898 573262993 /nfs/dbraw/zinc/26/29/93/573262993.db2.gz FCIKUVVERQYDAM-UHFFFAOYSA-N 0 0 187.189 1.885 10 0 ADAERN CCCC(=O)CN1CCOC[C@@H]1CC 50184160 573263008 /nfs/dbraw/zinc/26/30/08/573263008.db2.gz CKYHMIRXANHXMJ-JTQLQIEISA-N 0 0 199.294 1.466 10 0 ADAERN CC[C@]1(O)N=CNc2ccccc21 238320406 573263031 /nfs/dbraw/zinc/26/30/31/573263031.db2.gz KKRGGSNFOJHSDN-SNVBAGLBSA-N 0 0 176.219 1.505 10 0 ADAERN CC(=O)NCN(C)c1ccc(C)cc1 238326473 573263046 /nfs/dbraw/zinc/26/30/46/573263046.db2.gz PJLPPQVCRMMQCT-UHFFFAOYSA-N 0 0 192.262 1.525 10 0 ADAERN CNC(=O)[C@H]1C(C)=CC=CC1(C)C 238326889 573263050 /nfs/dbraw/zinc/26/30/50/573263050.db2.gz GGCKTMADAUAWRO-SECBINFHSA-N 0 0 179.263 1.891 10 0 ADAERN CCCC[C@@H](C)N1CCC(=O)C1 50888969 573263055 /nfs/dbraw/zinc/26/30/55/573263055.db2.gz WBDOXIPPFXKEPF-SECBINFHSA-N 0 0 169.268 1.840 10 0 ADAERN CC(C)N1C(=O)N[C@@H]2CCC[C@H]2C1=O 82919102 573278062 /nfs/dbraw/zinc/27/80/62/573278062.db2.gz LADNWIWBWHOZEQ-HTQZYQBOSA-N 0 0 196.250 1.115 10 0 ADAERN CC(C)N1C(=O)N[C@H]2CCC[C@@H]2C1=O 82919101 573278071 /nfs/dbraw/zinc/27/80/71/573278071.db2.gz LADNWIWBWHOZEQ-YUMQZZPRSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1ccc2c(c1)-c1n[nH]c(=O)cc1C2 129394725 573277310 /nfs/dbraw/zinc/27/73/10/573277310.db2.gz RLRPDTUISKQJAB-UHFFFAOYSA-N 0 0 198.225 1.650 10 0 ADAERN Cn1cc(C[C@@](C)(O)C(C)(C)C)nn1 236075577 573277312 /nfs/dbraw/zinc/27/73/12/573277312.db2.gz NQTPIICTQGLSRL-SNVBAGLBSA-N 0 0 197.282 1.155 10 0 ADAERN Cn1cc([C@H](O)[C@@H]2CC2(C)C)cn1 236095928 573278085 /nfs/dbraw/zinc/27/80/85/573278085.db2.gz ABUIDUOPEHKWKH-IUCAKERBSA-N 0 0 180.251 1.500 10 0 ADAERN Cc1nc([C@@H]2CNCCC2=O)cs1 74241435 573277351 /nfs/dbraw/zinc/27/73/51/573277351.db2.gz WHLXPOAYCFSYHM-ZETCQYMHSA-N 0 0 196.275 1.098 10 0 ADAERN COCN(C)Cc1ccc(F)cc1 259066165 573278088 /nfs/dbraw/zinc/27/80/88/573278088.db2.gz LHKWIGNFIUHUTC-UHFFFAOYSA-N 0 0 183.226 1.861 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](c2ccsc2)C[NH2+]1 74239706 573278089 /nfs/dbraw/zinc/27/80/89/573278089.db2.gz OVKRPUKUZQNNIM-SFYZADRCSA-N 0 0 197.259 1.278 10 0 ADAERN C[C@@H]1Cc2ccc(CCON)cc2C1 257991428 573277354 /nfs/dbraw/zinc/27/73/54/573277354.db2.gz FQCGDVSYZPQZPF-SECBINFHSA-N 0 0 191.274 1.854 10 0 ADAERN O=C1Nc2cccnc2N[C@H]1C1CC1 86160183 573277369 /nfs/dbraw/zinc/27/73/69/573277369.db2.gz YWGNTXZCJOKLAR-QMMMGPOBSA-N 0 0 189.218 1.224 10 0 ADAERN C[NH2+]CC(=O)c1cc(C)c([O-])cc1F 257991332 573277374 /nfs/dbraw/zinc/27/73/74/573277374.db2.gz FOJQFQZWIAZIOC-UHFFFAOYSA-N 0 0 197.209 1.242 10 0 ADAERN CC(=O)c1ccc(CN(C)C)cn1 238331112 573277379 /nfs/dbraw/zinc/27/73/79/573277379.db2.gz HLAVXHKKGBHYPR-UHFFFAOYSA-N 0 0 178.235 1.346 10 0 ADAERN COCC1(C[C@H](O)C2CC2)CCC1 308339912 573277383 /nfs/dbraw/zinc/27/73/83/573277383.db2.gz QJJKNSJTYKLDAX-JTQLQIEISA-N 0 0 184.279 1.964 10 0 ADAERN CCCC[C@H]1NC(=O)[C@H](C(C)C)N1 238795451 573277396 /nfs/dbraw/zinc/27/73/96/573277396.db2.gz WREDCFODLKUZGM-BDAKNGLRSA-N 0 0 184.283 1.247 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]([NH+]2CC=CC2)C1 116396074 573277399 /nfs/dbraw/zinc/27/73/99/573277399.db2.gz JZLODHNLSKKCCQ-BDAKNGLRSA-N 0 0 181.235 1.112 10 0 ADAERN CC[C@@H](NN)c1ccc(N(C)C)nc1 308536582 573277418 /nfs/dbraw/zinc/27/74/18/573277418.db2.gz LNAZBJINQMQSSS-SECBINFHSA-N 0 0 194.282 1.062 10 0 ADAERN CCN1C(=O)N[C@H]2CCCC[C@H]2C1=O 82919118 573277429 /nfs/dbraw/zinc/27/74/29/573277429.db2.gz URPQTXAXNXDPAW-SFYZADRCSA-N 0 0 196.250 1.117 10 0 ADAERN O[C@@H]1COC[C@@H]1C1CCCCCC1 687969048 573277435 /nfs/dbraw/zinc/27/74/35/573277435.db2.gz FQLXBNBJQQFUHG-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CN(C)Cc1cc(F)c(F)nc1F 238330788 573277446 /nfs/dbraw/zinc/27/74/46/573277446.db2.gz XKDZNAYYNJGXOL-UHFFFAOYSA-N 0 0 190.168 1.561 10 0 ADAERN O[C@@H]1COC[C@@H]1c1ccccc1F 687969357 573277449 /nfs/dbraw/zinc/27/74/49/573277449.db2.gz HIQLYVMZCBNHEN-PSASIEDQSA-N 0 0 182.194 1.300 10 0 ADAERN CC[C@H](CO)COc1cccnc1 257991452 573277455 /nfs/dbraw/zinc/27/74/55/573277455.db2.gz DFVRZLRMVSXZFW-SECBINFHSA-N 0 0 181.235 1.479 10 0 ADAERN COC1(c2ccccc2CCO)CC1 259399770 573277465 /nfs/dbraw/zinc/27/74/65/573277465.db2.gz JEBXPLLDTAIPPR-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN CC[C@@H](C)N(CCO)C(=O)C=C(C)C 308536387 573277485 /nfs/dbraw/zinc/27/74/85/573277485.db2.gz MJZSPEPMVKOASA-SNVBAGLBSA-N 0 0 199.294 1.572 10 0 ADAERN Nc1nc2cccnc2n1CC1CC1 86159969 573277486 /nfs/dbraw/zinc/27/74/86/573277486.db2.gz ZPRSGBBEBPHNSZ-UHFFFAOYSA-N 0 0 188.234 1.424 10 0 ADAERN CCC(=O)CSCCC(=O)OC 50181988 573277510 /nfs/dbraw/zinc/27/75/10/573277510.db2.gz LTQKTOXSYLQSRH-UHFFFAOYSA-N 0 0 190.264 1.262 10 0 ADAERN COC(=O)c1nc(C)c(CC(C)C)[nH]1 258489953 573277522 /nfs/dbraw/zinc/27/75/22/573277522.db2.gz CQFCFLBTSKILAL-UHFFFAOYSA-N 0 0 196.250 1.703 10 0 ADAERN O=C([O-])C[C@H]1[NH2+]CCc2cscc21 74239696 573277529 /nfs/dbraw/zinc/27/75/29/573277529.db2.gz BYVCSKKUQJOIBH-MRVPVSSYSA-N 0 0 197.259 1.410 10 0 ADAERN CCN1N=C2CCCCC2C1=O 116396828 573277539 /nfs/dbraw/zinc/27/75/39/573277539.db2.gz XVHXKEPBSZVURY-UHFFFAOYSA-N 0 0 166.224 1.487 10 0 ADAERN O=C([O-])[C@H]1C[C@H](c2ccsc2)C[NH2+]1 74239704 573277543 /nfs/dbraw/zinc/27/75/43/573277543.db2.gz OVKRPUKUZQNNIM-JGVFFNPUSA-N 0 0 197.259 1.278 10 0 ADAERN C[C@@H]1CC(=O)Nc2cccnc2N1 86160157 573277552 /nfs/dbraw/zinc/27/75/52/573277552.db2.gz MITHSMYMIZFMRB-ZCFIWIBFSA-N 0 0 177.207 1.224 10 0 ADAERN CC(=O)c1nc([C@@H]2CCCN2C)no1 258202149 573277562 /nfs/dbraw/zinc/27/75/62/573277562.db2.gz ZHBLTHAYGJLGIY-ZETCQYMHSA-N 0 0 195.222 1.039 10 0 ADAERN Cn1cc(C[C@](C)(O)C(C)(C)C)nn1 236076712 573277578 /nfs/dbraw/zinc/27/75/78/573277578.db2.gz NQTPIICTQGLSRL-JTQLQIEISA-N 0 0 197.282 1.155 10 0 ADAERN C[C@@H]1CC(=O)C[C@@H](c2nccs2)N1 74241526 573277595 /nfs/dbraw/zinc/27/75/95/573277595.db2.gz MWRHZRFLEFGGAE-SVRRBLITSA-N 0 0 196.275 1.525 10 0 ADAERN C[NH2+][C@H](C)c1cc(F)c([O-])c(F)c1 238331374 573277602 /nfs/dbraw/zinc/27/76/02/573277602.db2.gz PQELSUBMMWXFGD-RXMQYKEDSA-N 0 0 187.189 1.951 10 0 ADAERN CCC(=O)[C@H]1CCO[C@@H](C)C1 86161643 573277618 /nfs/dbraw/zinc/27/76/18/573277618.db2.gz PYJXLANGELAYQE-YUMQZZPRSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)N1C(=O)N[C@@H]2CCC[C@@H]2C1=O 82919103 573277666 /nfs/dbraw/zinc/27/76/66/573277666.db2.gz LADNWIWBWHOZEQ-JGVFFNPUSA-N 0 0 196.250 1.115 10 0 ADAERN CC[C@H](O)COC(C)(C)CC 50182212 573277678 /nfs/dbraw/zinc/27/76/78/573277678.db2.gz OSUJYSZDYCKOGD-QMMMGPOBSA-N 0 0 160.257 1.963 10 0 ADAERN C[C@H]1CC(=O)C[C@H](c2cncs2)N1 74241530 573277683 /nfs/dbraw/zinc/27/76/83/573277683.db2.gz KCMMDQDVKUIXND-POYBYMJQSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@@H]1C[C@H]1n1c(N)nc2cccnc21 86160037 573277689 /nfs/dbraw/zinc/27/76/89/573277689.db2.gz ZXWSUTYCOXGMLG-HTRCEHHLSA-N 0 0 188.234 1.594 10 0 ADAERN CN1C(=O)CCc2cc(O)c(F)cc21 257989651 573277700 /nfs/dbraw/zinc/27/77/00/573277700.db2.gz XTIUGXFJZXFBJD-UHFFFAOYSA-N 0 0 195.193 1.440 10 0 ADAERN CCCN1N=C2CCCCC2C1=O 116396888 573277703 /nfs/dbraw/zinc/27/77/03/573277703.db2.gz ZOLQNLWGHYEKPP-UHFFFAOYSA-N 0 0 180.251 1.878 10 0 ADAERN CC[C@H](O)COCCOC(C)C 50182198 573277722 /nfs/dbraw/zinc/27/77/22/573277722.db2.gz YRGILTAAVZXSIB-VIFPVBQESA-N 0 0 176.256 1.199 10 0 ADAERN Cn1cnc([C@@H](O)CC2CC2)c1 236097950 573277727 /nfs/dbraw/zinc/27/77/27/573277727.db2.gz RUZRMYXFKUUHOB-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN COCc1cc(CNOC)ccc1F 257990157 573277748 /nfs/dbraw/zinc/27/77/48/573277748.db2.gz BCWSPKPLZBTQJW-UHFFFAOYSA-N 0 0 199.225 1.623 10 0 ADAERN CCCC(=O)CN1CCCCC1=O 50184854 573277749 /nfs/dbraw/zinc/27/77/49/573277749.db2.gz GZAKMSXLGSNJJQ-UHFFFAOYSA-N 0 0 183.251 1.368 10 0 ADAERN Cc1scnc1[C@@H]1CN(C)CCN1 74238890 573277763 /nfs/dbraw/zinc/27/77/63/573277763.db2.gz ORKGZBYJWQAPLA-QMMMGPOBSA-N 0 0 197.307 1.028 10 0 ADAERN CN(C)c1ccc2[nH]c(=O)oc2c1 238331097 573277766 /nfs/dbraw/zinc/27/77/66/573277766.db2.gz FZLGESTXSJFEGJ-UHFFFAOYSA-N 0 0 178.191 1.187 10 0 ADAERN Cc1ccnc2c1NC(=O)[C@H](C)N2 86160589 573277767 /nfs/dbraw/zinc/27/77/67/573277767.db2.gz LNKVJGFKVGYGKY-LURJTMIESA-N 0 0 177.207 1.143 10 0 ADAERN CC[C@@H](O)COC(C)(C)CC 50182213 573277772 /nfs/dbraw/zinc/27/77/72/573277772.db2.gz OSUJYSZDYCKOGD-MRVPVSSYSA-N 0 0 160.257 1.963 10 0 ADAERN CCN1C(=O)N[C@@H]2CCCC[C@@H]2C1=O 82919121 573277795 /nfs/dbraw/zinc/27/77/95/573277795.db2.gz URPQTXAXNXDPAW-JGVFFNPUSA-N 0 0 196.250 1.117 10 0 ADAERN Cc1ccnc2c1NC(=O)CCN2 86160588 573277796 /nfs/dbraw/zinc/27/77/96/573277796.db2.gz RYADQYSQLPWAEB-UHFFFAOYSA-N 0 0 177.207 1.144 10 0 ADAERN CCCN1C(=O)N[C@H]2CCC[C@@H]2C1=O 82919093 573277804 /nfs/dbraw/zinc/27/78/04/573277804.db2.gz ZARJRBKRPGHWAK-YUMQZZPRSA-N 0 0 196.250 1.117 10 0 ADAERN C[C@H](c1ccc(F)cc1)N(O)C(N)=O 74238533 573277852 /nfs/dbraw/zinc/27/78/52/573277852.db2.gz VFFCNLQFKWRMPK-ZCFIWIBFSA-N 0 0 198.197 1.657 10 0 ADAERN CC(C)Cn1c(N)nc2cnccc21 86159558 573277856 /nfs/dbraw/zinc/27/78/56/573277856.db2.gz TWHJKYLKHDJHEW-UHFFFAOYSA-N 0 0 190.250 1.670 10 0 ADAERN Cc1ccnc2c1NC(=O)[C@@H](C)N2 86160590 573277865 /nfs/dbraw/zinc/27/78/65/573277865.db2.gz LNKVJGFKVGYGKY-ZCFIWIBFSA-N 0 0 177.207 1.143 10 0 ADAERN O=c1sccn1C(F)F 123956327 573277871 /nfs/dbraw/zinc/27/78/71/573277871.db2.gz JYGBTLSFOJCOIF-UHFFFAOYSA-N 0 0 151.137 1.305 10 0 ADAERN CN(C)c1ccc2c(c1)COCC2=O 238330415 573277902 /nfs/dbraw/zinc/27/79/02/573277902.db2.gz FXMWJRGYVIPMSV-UHFFFAOYSA-N 0 0 191.230 1.466 10 0 ADAERN Cc1scnc1[C@H]1CNCCC1=O 74241432 573277920 /nfs/dbraw/zinc/27/79/20/573277920.db2.gz JUMJHNHJZKVHLZ-ZETCQYMHSA-N 0 0 196.275 1.098 10 0 ADAERN O=C([O-])[C@H]1CC[C@H]([NH+]2CC=CC2)C1 116396079 573277921 /nfs/dbraw/zinc/27/79/21/573277921.db2.gz JZLODHNLSKKCCQ-IUCAKERBSA-N 0 0 181.235 1.112 10 0 ADAERN Cn1ccnc1Cc1ccc(C=O)o1 236075319 573277931 /nfs/dbraw/zinc/27/79/31/573277931.db2.gz BMZMOYNZAOSRQE-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CCc1nc(C)cc(C)c1CO 238330454 573277960 /nfs/dbraw/zinc/27/79/60/573277960.db2.gz SJQPEIZCDMHXBL-UHFFFAOYSA-N 0 0 165.236 1.753 10 0 ADAERN CC1(C)CC(=O)Nc2cccnc2N1 86160218 573277966 /nfs/dbraw/zinc/27/79/66/573277966.db2.gz ZYUVHPWDVKHDSB-UHFFFAOYSA-N 0 0 191.234 1.614 10 0 ADAERN CCOC(=O)C(C)(C)NC(C)(C)C 259065958 573277982 /nfs/dbraw/zinc/27/79/82/573277982.db2.gz WXIXHVJISCLKGZ-UHFFFAOYSA-N 0 0 187.283 1.716 10 0 ADAERN C[C@H]1CC(=O)C[C@H](c2ccns2)N1 74241537 573277994 /nfs/dbraw/zinc/27/79/94/573277994.db2.gz LQEQFAGIJKFOQM-POYBYMJQSA-N 0 0 196.275 1.525 10 0 ADAERN COc1ccc(O)cc1CC1(O)CC1 257991475 573278000 /nfs/dbraw/zinc/27/80/00/573278000.db2.gz FQXQHIUEWFWBBD-UHFFFAOYSA-N 0 0 194.230 1.468 10 0 ADAERN CNc1ccc(Cl)c(=O)cc1 238333527 573290183 /nfs/dbraw/zinc/29/01/83/573290183.db2.gz CFUXCPXKAQVADZ-UHFFFAOYSA-N 0 0 169.611 1.742 10 0 ADAERN COc1ccc([Si](C)(C)C)cc1N 197021365 573290186 /nfs/dbraw/zinc/29/01/86/573290186.db2.gz LHBUUHMDLUZYPY-UHFFFAOYSA-N 0 0 195.338 1.823 10 0 ADAERN Cc1c[nH]nc1[C@@H]1CC(=O)C[C@@H](C)N1 74248089 573290197 /nfs/dbraw/zinc/29/01/97/573290197.db2.gz XSNLHJTUPXVHSS-APPZFPTMSA-N 0 0 193.250 1.100 10 0 ADAERN Cc1occc1[C@H]1CC(=O)C[C@@H](C)N1 74248291 573290216 /nfs/dbraw/zinc/29/02/16/573290216.db2.gz CJDPKAVLJVENRD-RDDDGLTNSA-N 0 0 193.246 1.970 10 0 ADAERN Nc1ccccc1[C@H](O)[C@H]1CCOC1 82924949 573290222 /nfs/dbraw/zinc/29/02/22/573290222.db2.gz BPDPYWFKHLZYED-GZMMTYOYSA-N 0 0 193.246 1.339 10 0 ADAERN Nc1ccccc1[C@@H](O)C1CC1 82924964 573290230 /nfs/dbraw/zinc/29/02/30/573290230.db2.gz XUKYFQQFUSKNAU-JTQLQIEISA-N 0 0 163.220 1.712 10 0 ADAERN COc1cc(C(C)=O)cnc1C 238334545 573290248 /nfs/dbraw/zinc/29/02/48/573290248.db2.gz GYBDJPWUJMVDMO-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN C[N@@H+]1CCCC[C@H]1C/C=C\CC(=O)[O-] 258279976 573290259 /nfs/dbraw/zinc/29/02/59/573290259.db2.gz SLRJVVYZHSKHKZ-MXQLGCADSA-N 0 0 197.278 1.892 10 0 ADAERN CCC[C@@](O)(c1ccnn1C)C1CC1 308534600 573289609 /nfs/dbraw/zinc/28/96/09/573289609.db2.gz LAWHVGACXIARCT-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN Cn1cnc([C@H](O)c2ccco2)c1 236104902 573289621 /nfs/dbraw/zinc/28/96/21/573289621.db2.gz USBVAHYLRGOTQT-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN C[NH2+][C@H](C)c1ccc(C(=O)[O-])c(F)c1 238333383 573289625 /nfs/dbraw/zinc/28/96/25/573289625.db2.gz QJKCYLLMKWGRIU-ZCFIWIBFSA-N 0 0 197.209 1.804 10 0 ADAERN Fc1ccc([C@H]2CCNN2)cc1 258490423 573289656 /nfs/dbraw/zinc/28/96/56/573289656.db2.gz KDQFHXZWNMYCFJ-SECBINFHSA-N 0 0 166.199 1.365 10 0 ADAERN Cc1ocnc1[C@@H]1CC(=O)C[C@@H](C)N1 74246807 573289659 /nfs/dbraw/zinc/28/96/59/573289659.db2.gz SCAOHZUTEGXGLX-MUWHJKNJSA-N 0 0 194.234 1.365 10 0 ADAERN CC[C@@]1(C2CC2)CC(=O)NC(=O)[C@@H]1C 86191110 573289667 /nfs/dbraw/zinc/28/96/67/573289667.db2.gz BMSMMYPLECKMFY-WRWORJQWSA-N 0 0 195.262 1.475 10 0 ADAERN CNC(=O)C[C@H]1C[C@H](C(C)=O)C1(C)C 238334722 573289686 /nfs/dbraw/zinc/28/96/86/573289686.db2.gz TXHVYWRLLSGZNV-RKDXNWHRSA-N 0 0 197.278 1.374 10 0 ADAERN CO[C@@H]1C[C@H]2C(=O)CCC[C@@H]12 238334662 573289694 /nfs/dbraw/zinc/28/96/94/573289694.db2.gz CMLQWOCDCORKTF-ZXFLCMHBSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H](O)c1coc([C@@H]2CCCN2C)n1 257994397 573289707 /nfs/dbraw/zinc/28/97/07/573289707.db2.gz IFYAMAZCVDYGDY-APPZFPTMSA-N 0 0 196.250 1.495 10 0 ADAERN CCC[C@H]1C(=O)NC(=O)C[C@@H]1C1CC1 86191550 573289731 /nfs/dbraw/zinc/28/97/31/573289731.db2.gz PXJBRAQXCDZMAZ-RKDXNWHRSA-N 0 0 195.262 1.475 10 0 ADAERN CO/C=C/[C@@H](O)c1ccccc1 238333277 573289737 /nfs/dbraw/zinc/28/97/37/573289737.db2.gz PKVXLEPTBANHDM-QROSGCPLSA-N 0 0 164.204 1.880 10 0 ADAERN CCC[C@@H]1C(=O)NC(=O)CC1(C)C 86191655 573289741 /nfs/dbraw/zinc/28/97/41/573289741.db2.gz YKXXCPAYHOGXFX-SSDOTTSWSA-N 0 0 183.251 1.475 10 0 ADAERN COC(=O)[C@@H]1CCCc2c1ccn2C 238334862 573289742 /nfs/dbraw/zinc/28/97/42/573289742.db2.gz RHFUWDSZYKDGJN-SECBINFHSA-N 0 0 193.246 1.618 10 0 ADAERN Cc1cc([C@@H]2CC(=O)C[C@H](C)N2)co1 74248284 573289753 /nfs/dbraw/zinc/28/97/53/573289753.db2.gz SXKIRXGVYKRTLP-CPCISQLKSA-N 0 0 193.246 1.970 10 0 ADAERN Cc1ncoc1[C@@H]1CC(=O)C[C@@H](C)N1 74246819 573289763 /nfs/dbraw/zinc/28/97/63/573289763.db2.gz XCQXIZZABUEMIX-MUWHJKNJSA-N 0 0 194.234 1.365 10 0 ADAERN CCC[C@H](C)[C@H](O)C(OC)OC 233352105 573289767 /nfs/dbraw/zinc/28/97/67/573289767.db2.gz GAXLTGSYLPANRT-YUMQZZPRSA-N 0 0 176.256 1.402 10 0 ADAERN COC(=O)c1cnc2cccc(C)n12 238333346 573289774 /nfs/dbraw/zinc/28/97/74/573289774.db2.gz OGTRRZFZFOPHPG-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CO[C@H](C)CCNc1cc(C)cnn1 308541208 573289776 /nfs/dbraw/zinc/28/97/76/573289776.db2.gz JRZNNYHKVDAPGD-SECBINFHSA-N 0 0 195.266 1.622 10 0 ADAERN CC[C@]1(C)CC(=O)NC(=O)[C@H]1C(C)C 86191834 573289785 /nfs/dbraw/zinc/28/97/85/573289785.db2.gz WCAHNFCKSPGXTR-MWLCHTKSSA-N 0 0 197.278 1.721 10 0 ADAERN Cc1nn(C)c2cccc([C@@H](C)O)c12 257994124 573289789 /nfs/dbraw/zinc/28/97/89/573289789.db2.gz FXCVZJOQHKEKSA-MRVPVSSYSA-N 0 0 190.246 1.935 10 0 ADAERN Cn1cccc1[C@H]1CCCCCN1N 74247566 573289807 /nfs/dbraw/zinc/28/98/07/573289807.db2.gz SBCPUGYONADRAU-LLVKDONJSA-N 0 0 193.294 1.816 10 0 ADAERN CO[C@@H](CCO)C1CCCC1 258619976 573289813 /nfs/dbraw/zinc/28/98/13/573289813.db2.gz WOROHGQOHIUXQR-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CSc1cccc(O)c1CO 257994930 573289819 /nfs/dbraw/zinc/28/98/19/573289819.db2.gz LCWTUOSQPCMJLS-UHFFFAOYSA-N 0 0 170.233 1.606 10 0 ADAERN CC(C)[C@H]1C(=O)NC(=O)C[C@@H]1C1CC1 86191768 573289826 /nfs/dbraw/zinc/28/98/26/573289826.db2.gz CGICROQLXDOTPK-PSASIEDQSA-N 0 0 195.262 1.331 10 0 ADAERN Cc1occc1[C@@H]1CC(=O)C[C@H](C)N1 74248288 573289850 /nfs/dbraw/zinc/28/98/50/573289850.db2.gz CJDPKAVLJVENRD-CPCISQLKSA-N 0 0 193.246 1.970 10 0 ADAERN C[C@H](O)c1coc([C@H]2CCCN2C)n1 257994403 573289854 /nfs/dbraw/zinc/28/98/54/573289854.db2.gz IFYAMAZCVDYGDY-IONNQARKSA-N 0 0 196.250 1.495 10 0 ADAERN CCCc1ccc([C@@H]2COCCN2)o1 211639265 573289864 /nfs/dbraw/zinc/28/98/64/573289864.db2.gz HHRJYCHWURPAQX-JTQLQIEISA-N 0 0 195.262 1.893 10 0 ADAERN O=C1CCN[C@H](c2ccc(F)nc2)C1 74246952 573289885 /nfs/dbraw/zinc/28/98/85/573289885.db2.gz KMZYBICGPRFYCW-VIFPVBQESA-N 0 0 194.209 1.214 10 0 ADAERN CCc1cccc(N)c1F 116488258 573289892 /nfs/dbraw/zinc/28/98/92/573289892.db2.gz RFUISRVSHVPCKT-UHFFFAOYSA-N 0 0 139.173 1.970 10 0 ADAERN COc1c(CNO)cccc1SC 258279580 573289899 /nfs/dbraw/zinc/28/98/99/573289899.db2.gz ZZLJSGIDVGWHRN-UHFFFAOYSA-N 0 0 199.275 1.896 10 0 ADAERN Nc1ccccc1C(=O)c1cnccn1 82924895 573289910 /nfs/dbraw/zinc/28/99/10/573289910.db2.gz XSWNXUNSUDJLPF-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN CCC[C@H](C)[C@H]1CC(=O)NC(=O)[C@@H]1C 86190804 573289911 /nfs/dbraw/zinc/28/99/11/573289911.db2.gz DIISKSAVKCDVRX-DJLDLDEBSA-N 0 0 197.278 1.721 10 0 ADAERN ONCc1ccc2c(c1F)OCO2 257993936 573289915 /nfs/dbraw/zinc/28/99/15/573289915.db2.gz FSKCCKVGCIHEJD-UHFFFAOYSA-N 0 0 185.154 1.033 10 0 ADAERN CC(C)[C@]1(C)CC(=O)NC(=O)[C@H]1C 86190736 573289936 /nfs/dbraw/zinc/28/99/36/573289936.db2.gz PTILDLDYWAIAGH-XCBNKYQSSA-N 0 0 183.251 1.331 10 0 ADAERN COc1cc(C(C)=O)cccc1=O 238334507 573289938 /nfs/dbraw/zinc/28/99/38/573289938.db2.gz YUDGRRQNQUPAKI-UHFFFAOYSA-N 0 0 178.187 1.258 10 0 ADAERN Cc1c[nH]nc1[C@@H]1CC(=O)C[C@H](C)N1 74248087 573289953 /nfs/dbraw/zinc/28/99/53/573289953.db2.gz XSNLHJTUPXVHSS-CBAPKCEASA-N 0 0 193.250 1.100 10 0 ADAERN COc1cc(Cl)cc2c(N)n[nH]c12 238334768 573289960 /nfs/dbraw/zinc/28/99/60/573289960.db2.gz GZFVYMSBTJCVNJ-UHFFFAOYSA-N 0 0 197.625 1.807 10 0 ADAERN CCC[C@@]1(C)CC(=O)NC(=O)[C@H]1C 86190997 573289968 /nfs/dbraw/zinc/28/99/68/573289968.db2.gz VWIPJVFPSWPWBL-XCBNKYQSSA-N 0 0 183.251 1.475 10 0 ADAERN Cc1cccc2c1C[C@H]([C@@H](C)O)N2 258279542 573289972 /nfs/dbraw/zinc/28/99/72/573289972.db2.gz TUWHKTTUZAKLEB-LDYMZIIASA-N 0 0 177.247 1.712 10 0 ADAERN C[C@@H](O)c1ccc(O)cc1C=O 257994911 573289975 /nfs/dbraw/zinc/28/99/75/573289975.db2.gz LBMSJFSYNXGDNO-ZCFIWIBFSA-N 0 0 166.176 1.258 10 0 ADAERN O=C1CCN[C@@H](c2ccc(F)nc2)C1 74246953 573289988 /nfs/dbraw/zinc/28/99/88/573289988.db2.gz KMZYBICGPRFYCW-SECBINFHSA-N 0 0 194.209 1.214 10 0 ADAERN OCC[C@@H]1Oc2ccc(F)cc2O1 258278200 573289991 /nfs/dbraw/zinc/28/99/91/573289991.db2.gz RJFXGVZXODMBBT-SECBINFHSA-N 0 0 184.166 1.305 10 0 ADAERN OCC1([NH2+]CCC(F)(F)F)CCC1 129436785 573290007 /nfs/dbraw/zinc/29/00/07/573290007.db2.gz SKDIMRQNPKOBGC-UHFFFAOYSA-N 0 0 197.200 1.443 10 0 ADAERN Cc1nc([C@@H]2CC(=O)CCN2)c(C)o1 74246645 573290027 /nfs/dbraw/zinc/29/00/27/573290027.db2.gz HATZPDYDQSFWLR-VIFPVBQESA-N 0 0 194.234 1.285 10 0 ADAERN CC[C@H](C)[C@@H]1CC(=O)NC(=O)[C@@H]1C 86190792 573290029 /nfs/dbraw/zinc/29/00/29/573290029.db2.gz JELPYSMLUKDOBG-RNJXMRFFSA-N 0 0 183.251 1.331 10 0 ADAERN COC(=O)[C@H]1COc2cccc(F)c21 238334735 573290030 /nfs/dbraw/zinc/29/00/30/573290030.db2.gz VDXWVZJWASWBQB-LURJTMIESA-N 0 0 196.177 1.475 10 0 ADAERN CCCCOC[C@H](O)CCC 50194103 573290032 /nfs/dbraw/zinc/29/00/32/573290032.db2.gz UGVKWFQZLHHIAM-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN C[NH2+][C@H](C)c1ccc(N)c(C(=O)[O-])c1 238334928 573290035 /nfs/dbraw/zinc/29/00/35/573290035.db2.gz ZBUMAINVXDVSEP-ZCFIWIBFSA-N 0 0 194.234 1.247 10 0 ADAERN Cc1nc(-c2cscn2)[nH]c1C=O 74248328 573290067 /nfs/dbraw/zinc/29/00/67/573290067.db2.gz SUAVASVHFVHQFN-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN OC[C@H]1C[C@H]1c1cccc(O)c1 258619956 573290070 /nfs/dbraw/zinc/29/00/70/573290070.db2.gz WOPXPIGBVVORCM-SCZZXKLOSA-N 0 0 164.204 1.488 10 0 ADAERN C[C@@H](O)Cc1ccc(CNO)cc1 257994932 573290081 /nfs/dbraw/zinc/29/00/81/573290081.db2.gz LDCWWUNMYSEXLD-MRVPVSSYSA-N 0 0 181.235 1.089 10 0 ADAERN ONCc1cc(F)c2c(c1)OCCO2 258277674 573290093 /nfs/dbraw/zinc/29/00/93/573290093.db2.gz ZSMWDHFKKAICAG-UHFFFAOYSA-N 0 0 199.181 1.076 10 0 ADAERN Cn1cnc(-c2nncn2C2CC2)c1 236110389 573290104 /nfs/dbraw/zinc/29/01/04/573290104.db2.gz LCUZMSCYSGCRHX-UHFFFAOYSA-N 0 0 189.222 1.014 10 0 ADAERN CCOCCCc1nc(C)cc(F)n1 689942340 573290145 /nfs/dbraw/zinc/29/01/45/573290145.db2.gz XNDRMVJRHZLKBK-UHFFFAOYSA-N 0 0 198.241 1.893 10 0 ADAERN CNC(=O)/C=C(/C)N1CCCCC1 238334685 573290158 /nfs/dbraw/zinc/29/01/58/573290158.db2.gz POHNRVHQWTYHGD-HJWRWDBZSA-N 0 0 182.267 1.122 10 0 ADAERN CCC1(C(=O)Cc2cn(C)nn2)CC1 308546752 573312231 /nfs/dbraw/zinc/31/22/31/573312231.db2.gz PVAOGNGJJHPHII-UHFFFAOYSA-N 0 0 193.250 1.117 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1c[nH]nc1C 86202664 573312241 /nfs/dbraw/zinc/31/22/41/573312241.db2.gz IUYCOHXFASXSAT-PSASIEDQSA-N 0 0 180.251 1.726 10 0 ADAERN COc1cc(F)c(C(F)F)nc1N 238345668 573312253 /nfs/dbraw/zinc/31/22/53/573312253.db2.gz YOOLQABENNXUAD-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN O[C@H]1COC[C@H]1CCc1ccccc1 687958771 573312258 /nfs/dbraw/zinc/31/22/58/573312258.db2.gz GZKDOBPKXIMMPL-NEPJUHHUSA-N 0 0 192.258 1.627 10 0 ADAERN CCOc1cncc([C@@H](C)O)c1 124047299 573312259 /nfs/dbraw/zinc/31/22/59/573312259.db2.gz GKIJCTJOYZHYFP-SSDOTTSWSA-N 0 0 167.208 1.534 10 0 ADAERN C[N@@H+]1CCC[C@@H]([C@@H](F)CC(=O)[O-])C1 238346731 573312278 /nfs/dbraw/zinc/31/22/78/573312278.db2.gz OUNRACOMRVAKET-SFYZADRCSA-N 0 0 189.230 1.141 10 0 ADAERN CNc1ncc(-c2ccccn2)o1 258490967 573312280 /nfs/dbraw/zinc/31/22/80/573312280.db2.gz CIJUQBDNASXRLU-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN CC(C)Oc1cncc([C@@H](C)O)c1 124046873 573312294 /nfs/dbraw/zinc/31/22/94/573312294.db2.gz VDCPFNINHRDVIO-MRVPVSSYSA-N 0 0 181.235 1.922 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cc[nH]n1 86203437 573312302 /nfs/dbraw/zinc/31/23/02/573312302.db2.gz MQVISEZNYGVADE-VXNVDRBHSA-N 0 0 166.224 1.417 10 0 ADAERN COC(=O)[C@H]1NCCC[C@H]1C(C)C 238346685 573312305 /nfs/dbraw/zinc/31/23/05/573312305.db2.gz RKBSMMSPMZVASK-IUCAKERBSA-N 0 0 185.267 1.184 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1cc[nH]n1 86203438 573312316 /nfs/dbraw/zinc/31/23/16/573312316.db2.gz MQVISEZNYGVADE-IONNQARKSA-N 0 0 166.224 1.417 10 0 ADAERN CO[C@H]1CCCCC(=O)[C@H]1C 238345475 573312327 /nfs/dbraw/zinc/31/23/27/573312327.db2.gz KJZTYKDNDJCOBO-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)c1c[nH]c(=S)n1CC(N)=O 82944573 573312346 /nfs/dbraw/zinc/31/23/46/573312346.db2.gz VYKAHMRWKLMIFY-UHFFFAOYSA-N 0 0 199.279 1.154 10 0 ADAERN CC[C@@H](OC)[C@@H](O)COC(C)C 132522873 573312358 /nfs/dbraw/zinc/31/23/58/573312358.db2.gz AMEBWMTXYKXVNG-DTWKUNHWSA-N 0 0 176.256 1.197 10 0 ADAERN CN1c2c(O)cccc2NCC12CC2 259415537 573312369 /nfs/dbraw/zinc/31/23/69/573312369.db2.gz XZYHPMVWOHJXFA-UHFFFAOYSA-N 0 0 190.246 1.787 10 0 ADAERN CCOc1cncc([C@H](C)O)c1 124047478 573312377 /nfs/dbraw/zinc/31/23/77/573312377.db2.gz GKIJCTJOYZHYFP-ZETCQYMHSA-N 0 0 167.208 1.534 10 0 ADAERN CCC[C@@H]1C[C@]1(O)[C@@H]1CCCOC1 86202744 573312386 /nfs/dbraw/zinc/31/23/86/573312386.db2.gz CMLLIRSHCJPZHI-GMTAPVOTSA-N 0 0 184.279 1.964 10 0 ADAERN CCc1cc(CC)n(CCCCO)n1 132516745 573312392 /nfs/dbraw/zinc/31/23/92/573312392.db2.gz COOONJPNAYHADD-UHFFFAOYSA-N 0 0 196.294 1.780 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cnn(C)c1 86203431 573312393 /nfs/dbraw/zinc/31/23/93/573312393.db2.gz FQXUNRSFIBHBID-SCZZXKLOSA-N 0 0 180.251 1.428 10 0 ADAERN CC(C)[C@H](O)c1cc[nH]n1 117030997 573312398 /nfs/dbraw/zinc/31/23/98/573312398.db2.gz LJMRRQOMQFNTNF-ZETCQYMHSA-N 0 0 140.186 1.099 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cnns1 86203457 573312400 /nfs/dbraw/zinc/31/24/00/573312400.db2.gz XOEIMARPXRLOOV-XPUUQOCRSA-N 0 0 184.264 1.546 10 0 ADAERN CCC[C@H]1C[C@]1(C)O 86203003 573312409 /nfs/dbraw/zinc/31/24/09/573312409.db2.gz WSXVVIODIONAKH-BQBZGAKWSA-N 0 0 114.188 1.557 10 0 ADAERN O=c1ccc(NCCCC2CC2)n[nH]1 308546671 573312412 /nfs/dbraw/zinc/31/24/12/573312412.db2.gz PIXLSHXUFYYHES-UHFFFAOYSA-N 0 0 193.250 1.372 10 0 ADAERN CO[C@H]1CCCCC=C1[C@@H](C)O 238345511 573312418 /nfs/dbraw/zinc/31/24/18/573312418.db2.gz IBEKYCNSQFVGKA-SCZZXKLOSA-N 0 0 170.252 1.883 10 0 ADAERN C=Cc1ncc(C)cc1O 209759980 573312431 /nfs/dbraw/zinc/31/24/31/573312431.db2.gz QVTCVZAXAOSYEN-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN COc1cncc(N)c1C(F)F 238346683 573312444 /nfs/dbraw/zinc/31/24/44/573312444.db2.gz IQWPQRDNLGOKKK-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN COc1cncc(C)c1C(C)=O 238345283 573312454 /nfs/dbraw/zinc/31/24/54/573312454.db2.gz NPRUBSAOVGOPJR-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN C[C@@H](CCO)CCCCO 117025177 573312472 /nfs/dbraw/zinc/31/24/72/573312472.db2.gz KCNMSJPBWBWPAF-MRVPVSSYSA-N 0 0 146.230 1.168 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cn[nH]c1 86203991 573312477 /nfs/dbraw/zinc/31/24/77/573312477.db2.gz YPEPCRZEJDWDHB-VXNVDRBHSA-N 0 0 166.224 1.417 10 0 ADAERN CO[C@H]1CCCC(=O)[C@@H](C)C1 238345231 573312486 /nfs/dbraw/zinc/31/24/86/573312486.db2.gz LBEBYZRCPHWTFK-YUMQZZPRSA-N 0 0 156.225 1.781 10 0 ADAERN c1cc(-c2nc3cc[nH]cc-3n2)cnn1 132519250 573311782 /nfs/dbraw/zinc/31/17/82/573311782.db2.gz ITINPRPHEMFVMG-UHFFFAOYSA-N 0 0 197.201 1.415 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)C1CCOCC1 86203242 573311785 /nfs/dbraw/zinc/31/17/85/573311785.db2.gz LMHDVWPYRDTEIM-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@@H](O)c1ccc(O)c(F)c1O 258000902 573311787 /nfs/dbraw/zinc/31/17/87/573311787.db2.gz LVEYZZNRXFDWOT-SCSAIBSYSA-N 0 0 172.155 1.290 10 0 ADAERN COC(=O)c1nc(C)c(C=O)cc1C 238346137 573311789 /nfs/dbraw/zinc/31/17/89/573311789.db2.gz CUBPZHUVZHDRKA-UHFFFAOYSA-N 0 0 193.202 1.298 10 0 ADAERN COc1cc(C(F)F)c(N)cn1 238346131 573311796 /nfs/dbraw/zinc/31/17/96/573311796.db2.gz CHLQGZCBOTWQCJ-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN CNC(=O)c1nc(C)nc(Cl)c1C 238345990 573311804 /nfs/dbraw/zinc/31/18/04/573311804.db2.gz OIOKXQJXTJFGNR-UHFFFAOYSA-N 0 0 199.641 1.106 10 0 ADAERN Nc1nc[nH]c1-c1ccco1 106773958 573311820 /nfs/dbraw/zinc/31/18/20/573311820.db2.gz VJYDLMUPXWGWMU-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN C[C@H](N)c1nc2cc(F)ccc2o1 74304156 573311880 /nfs/dbraw/zinc/31/18/80/573311880.db2.gz XKSUHPVZRVVZRT-YFKPBYRVSA-N 0 0 180.182 1.987 10 0 ADAERN c1cnc2[nH]c(-c3ccnnc3)nc2c1 132519044 573311887 /nfs/dbraw/zinc/31/18/87/573311887.db2.gz QZMSIYPGXCFFBL-UHFFFAOYSA-N 0 0 197.201 1.415 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1csnn1 86203368 573311892 /nfs/dbraw/zinc/31/18/92/573311892.db2.gz YRGWPPSFZIOQAG-SVRRBLITSA-N 0 0 184.264 1.546 10 0 ADAERN O=Cc1csnc1-c1cnoc1 74304117 573311895 /nfs/dbraw/zinc/31/18/95/573311895.db2.gz IIWUIFMNDLJTGK-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN Cc1cnc(CO)c(C)c1C 117017633 573311910 /nfs/dbraw/zinc/31/19/10/573311910.db2.gz LHGBWURDKWZWLB-UHFFFAOYSA-N 0 0 151.209 1.499 10 0 ADAERN CCCOc1cncc([C@@H](C)O)c1 124046436 573311912 /nfs/dbraw/zinc/31/19/12/573311912.db2.gz UKMCDRPDRHQYIU-MRVPVSSYSA-N 0 0 181.235 1.924 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1cnn(C)c1 86203429 573311930 /nfs/dbraw/zinc/31/19/30/573311930.db2.gz FQXUNRSFIBHBID-WCBMZHEXSA-N 0 0 180.251 1.428 10 0 ADAERN CCCCC[NH2+]C[C@H](CC)C(=O)[O-] 258626353 573311934 /nfs/dbraw/zinc/31/19/34/573311934.db2.gz KALUIAKPKPJROO-VIFPVBQESA-N 0 0 187.283 1.877 10 0 ADAERN CC/C(=C\C1CCOCC1)CO 86209061 573311942 /nfs/dbraw/zinc/31/19/42/573311942.db2.gz QZDKFSSYCUQJIC-VQHVLOKHSA-N 0 0 170.252 1.742 10 0 ADAERN CC(C)[C@@H](Cc1cnn(C)n1)[C@@H](C)O 308545874 573311965 /nfs/dbraw/zinc/31/19/65/573311965.db2.gz VQFRKSLNOKDFNZ-PSASIEDQSA-N 0 0 197.282 1.011 10 0 ADAERN C[C@H]1CCO[C@H]1c1nnc(C2CC2)[nH]1 124042531 573311967 /nfs/dbraw/zinc/31/19/67/573311967.db2.gz PPWFGVOLBVWWOM-POYBYMJQSA-N 0 0 193.250 1.780 10 0 ADAERN Cc1cc2c(cc1NN)OCO2 259415394 573311970 /nfs/dbraw/zinc/31/19/70/573311970.db2.gz XXCCFISWXONFFN-UHFFFAOYSA-N 0 0 166.180 1.009 10 0 ADAERN COc1ccccc1[C@@]1(CO)C[C@@H]1C 259082510 573311971 /nfs/dbraw/zinc/31/19/71/573311971.db2.gz ZUEZVALKGWAVNW-JOYOIKCWSA-N 0 0 192.258 1.965 10 0 ADAERN CC1CN(C(=O)/C=C\C2CCC2)C1 308343806 573311972 /nfs/dbraw/zinc/31/19/72/573311972.db2.gz SSCULZMSMWLCSM-WAYWQWQTSA-N 0 0 179.263 1.821 10 0 ADAERN CCC[C@H]1C[C@@]1(O)C1CCOCC1 86203243 573311976 /nfs/dbraw/zinc/31/19/76/573311976.db2.gz LMHDVWPYRDTEIM-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN OCCc1coc(C2CCCC2)n1 258253460 573311996 /nfs/dbraw/zinc/31/19/96/573311996.db2.gz WWCKQMFDVNLYNO-UHFFFAOYSA-N 0 0 181.235 1.867 10 0 ADAERN COc1cc(C(F)F)c(N)[nH]c1=O 238346452 573311998 /nfs/dbraw/zinc/31/19/98/573311998.db2.gz UBWVQBDZQHUWEP-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cnn(C)c1 86203428 573312037 /nfs/dbraw/zinc/31/20/37/573312037.db2.gz FQXUNRSFIBHBID-PSASIEDQSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@H]1Cc2c(C[C@@H](C)O)cccc2N1 258253250 573312043 /nfs/dbraw/zinc/31/20/43/573312043.db2.gz XWPDAYFAMAKMJX-DTWKUNHWSA-N 0 0 191.274 1.966 10 0 ADAERN Cc1[nH]c(-c2ccco2)nc1N 106774469 573312046 /nfs/dbraw/zinc/31/20/46/573312046.db2.gz DAAKOEVRYWJKJT-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CN1C[C@@H](c2cccc(O)c2)NC1=O 238346263 573312052 /nfs/dbraw/zinc/31/20/52/573312052.db2.gz LGTQFKCBUYDJOS-VIFPVBQESA-N 0 0 192.218 1.088 10 0 ADAERN O=Cc1c[nH]c([C@@H]2CCCOC2)n1 74303973 573312057 /nfs/dbraw/zinc/31/20/57/573312057.db2.gz NNSXIOGMUBDQDF-SSDOTTSWSA-N 0 0 180.207 1.116 10 0 ADAERN CC[N@@H+]1CCCC[C@H]1/C=C\C(=O)[O-] 258253136 573312060 /nfs/dbraw/zinc/31/20/60/573312060.db2.gz QTQUVUNWYSNMTM-NMTCXDENSA-N 0 0 183.251 1.502 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1cnco1 86203640 573312079 /nfs/dbraw/zinc/31/20/79/573312079.db2.gz XRYUFKYBDIQIBE-IONNQARKSA-N 0 0 167.208 1.682 10 0 ADAERN CCC[C@@H]1C[C@]1(O)[C@@H]1CCOC1 86203185 573312086 /nfs/dbraw/zinc/31/20/86/573312086.db2.gz XAKQXKZHJTUDNC-OPRDCNLKSA-N 0 0 170.252 1.574 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1csnn1 86203370 573312095 /nfs/dbraw/zinc/31/20/95/573312095.db2.gz YRGWPPSFZIOQAG-XPUUQOCRSA-N 0 0 184.264 1.546 10 0 ADAERN O=Cc1c[nH]c(C2CCOCC2)n1 74303977 573312106 /nfs/dbraw/zinc/31/21/06/573312106.db2.gz URJYPKSPNQGDIQ-UHFFFAOYSA-N 0 0 180.207 1.116 10 0 ADAERN CNc1cncc(Cl)c1F 238346278 573312130 /nfs/dbraw/zinc/31/21/30/573312130.db2.gz PFWWLQLMPZZMSL-UHFFFAOYSA-N 0 0 160.579 1.916 10 0 ADAERN OCC(F)(F)[C@@H]1CCCCO1 258627530 573312150 /nfs/dbraw/zinc/31/21/50/573312150.db2.gz XHMJLDIUNALQID-LURJTMIESA-N 0 0 166.167 1.183 10 0 ADAERN CCCC[C@H](O)Cc1ccn(C)n1 124046447 573312154 /nfs/dbraw/zinc/31/21/54/573312154.db2.gz ZFZPOQMGLMZDDM-JTQLQIEISA-N 0 0 182.267 1.514 10 0 ADAERN CCn1ncc(CSC)c1N 258001118 573312164 /nfs/dbraw/zinc/31/21/64/573312164.db2.gz ZCMFOSTWZZQXKJ-UHFFFAOYSA-N 0 0 171.269 1.348 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cnccn1 86203934 573312165 /nfs/dbraw/zinc/31/21/65/573312165.db2.gz QZIHNMXTZMEGFD-SCZZXKLOSA-N 0 0 178.235 1.484 10 0 ADAERN C[NH2+][C@@H](C[C@@H](C)C(=O)[O-])c1ccc[nH]1 259415450 573313125 /nfs/dbraw/zinc/31/31/25/573313125.db2.gz NGHDZRNJUOTAMI-APPZFPTMSA-N 0 0 196.250 1.386 10 0 ADAERN CCC[C@H]1CC[N@H+](C/C=C/C(=O)[O-])C1 132547267 573313134 /nfs/dbraw/zinc/31/31/34/573313134.db2.gz DXKFBCPFNZIALL-GFAPAMAISA-N 0 0 197.278 1.749 10 0 ADAERN COc1cncc(C(F)F)c1C=O 238344747 573313149 /nfs/dbraw/zinc/31/31/49/573313149.db2.gz NYSGXIZQYTVZEM-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cc(C)nn1C 86203098 573313170 /nfs/dbraw/zinc/31/31/70/573313170.db2.gz LHFCKAAHQNTNFB-ONGXEEELSA-N 0 0 194.278 1.736 10 0 ADAERN COC(=O)[C@H](N[C@H]1CC[C@@H]1C)C(C)C 308547248 573313174 /nfs/dbraw/zinc/31/31/74/573313174.db2.gz QCBZRHSYQULKRT-LPEHRKFASA-N 0 0 199.294 1.572 10 0 ADAERN CNC(=O)NC(=S)c1ccccc1 238346905 573313179 /nfs/dbraw/zinc/31/31/79/573313179.db2.gz WDCBHMYRYFHDQM-UHFFFAOYSA-N 0 0 194.259 1.291 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1csnn1 86203364 573313199 /nfs/dbraw/zinc/31/31/99/573313199.db2.gz YRGWPPSFZIOQAG-HTRCEHHLSA-N 0 0 184.264 1.546 10 0 ADAERN C[C@@H]1Cc2c(O)cccc2O1 75538719 573601717 /nfs/dbraw/zinc/60/17/17/573601717.db2.gz WKKJTKCDOZBAOW-ZCFIWIBFSA-N 0 0 150.177 1.716 10 0 ADAERN Cc1cc2c(N)nccn2c1 75537948 573601724 /nfs/dbraw/zinc/60/17/24/573601724.db2.gz UAAMDURDXZWMMT-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN Cc1c(CO)cc(N)nc1C(F)F 238456896 573601736 /nfs/dbraw/zinc/60/17/36/573601736.db2.gz RZSABEDNUAZIKC-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN OCC[C@@H]1CCc2cccnc21 86737613 573601763 /nfs/dbraw/zinc/60/17/63/573601763.db2.gz QPZFHCRQUIQSOO-VIFPVBQESA-N 0 0 163.220 1.494 10 0 ADAERN O=Cc1ccc2oncc2c1F 259525770 573601767 /nfs/dbraw/zinc/60/17/67/573601767.db2.gz QVOOCJGKAROPHC-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN CN[C@H](C(F)F)[C@@]1(C)C[C@H]1C 714719220 573601771 /nfs/dbraw/zinc/60/17/71/573601771.db2.gz JDBMALUHEQSMFH-JKMUOGBPSA-N 0 0 163.211 1.886 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C[C@H]1C1CCC1 257836570 573601780 /nfs/dbraw/zinc/60/17/80/573601780.db2.gz KUVCGUROYJORRZ-JTQLQIEISA-N 0 0 195.262 1.502 10 0 ADAERN Cc1nc([C@@H]2CCCO2)nc(N)c1C 83714591 573601801 /nfs/dbraw/zinc/60/18/01/573601801.db2.gz VXWCQHUAGHJIBZ-QMMMGPOBSA-N 0 0 193.250 1.527 10 0 ADAERN Cc1cc(N)ncc1OC1CCC1 238457262 573601809 /nfs/dbraw/zinc/60/18/09/573601809.db2.gz KSKGRYLMKQIMQZ-UHFFFAOYSA-N 0 0 178.235 1.904 10 0 ADAERN C[NH2+][C@H](C1CCC1)[C@H](C)CC(=O)[O-] 259525026 573601811 /nfs/dbraw/zinc/60/18/11/573601811.db2.gz UHQCCNVALWUGLD-XCBNKYQSSA-N 0 0 185.267 1.485 10 0 ADAERN O=C(C1CCOCC1)[C@@H]1CCOC1 83716165 573601833 /nfs/dbraw/zinc/60/18/33/573601833.db2.gz LVBMVGANRJMDJW-SECBINFHSA-N 0 0 184.235 1.019 10 0 ADAERN CCNc1nc([C@H]2CCCO2)no1 83714772 573601849 /nfs/dbraw/zinc/60/18/49/573601849.db2.gz CKVJWSFUCGLHKT-ZCFIWIBFSA-N 0 0 183.211 1.353 10 0 ADAERN C[C@@H](O)[C@H]1CCc2cccnc21 86735246 573601862 /nfs/dbraw/zinc/60/18/62/573601862.db2.gz MSBIZKNOJSEADO-VXNVDRBHSA-N 0 0 163.220 1.492 10 0 ADAERN Clc1nnc2c(n1)CCCC2 258504597 573601873 /nfs/dbraw/zinc/60/18/73/573601873.db2.gz KZRULLYRTQKFBL-UHFFFAOYSA-N 0 0 169.615 1.404 10 0 ADAERN C[C@@H](O)Cc1c(O)cccc1O 258000887 573312688 /nfs/dbraw/zinc/31/26/88/573312688.db2.gz LUVKKLUGAMNIRK-ZCFIWIBFSA-N 0 0 168.192 1.021 10 0 ADAERN CC(C)/C(=C\[C@@H]1CCOC1)CO 86209604 573312690 /nfs/dbraw/zinc/31/26/90/573312690.db2.gz SGFBZLGKMFVOGH-QFQXNISHSA-N 0 0 170.252 1.598 10 0 ADAERN Nc1cnnc(-c2ccc(O)cc2)c1 258000802 573312700 /nfs/dbraw/zinc/31/27/00/573312700.db2.gz QEVMHRMZUYXAGV-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN COC(=O)c1cc(C(F)F)ccn1 238345914 573312708 /nfs/dbraw/zinc/31/27/08/573312708.db2.gz WGFSSUNKZYYUMN-UHFFFAOYSA-N 0 0 187.145 1.806 10 0 ADAERN CCC[C@@H]1C[C@]1(O)C1CCOCC1 86203238 573312731 /nfs/dbraw/zinc/31/27/31/573312731.db2.gz LMHDVWPYRDTEIM-MNOVXSKESA-N 0 0 184.279 1.964 10 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0 0 156.225 1.781 10 0 ADAERN COc1ccc(Cl)nc1C=O 238344937 573312855 /nfs/dbraw/zinc/31/28/55/573312855.db2.gz RGGKLVVOHVCBBC-UHFFFAOYSA-N 0 0 171.583 1.556 10 0 ADAERN CC(=O)O[C@@H](C)C(C)(C)C(C)=O 238457730 573312869 /nfs/dbraw/zinc/31/28/69/573312869.db2.gz AEUTTWSNZHTTJW-ZETCQYMHSA-N 0 0 172.224 1.553 10 0 ADAERN NOCCc1cccc2c1CCOC2 258001283 573312888 /nfs/dbraw/zinc/31/28/88/573312888.db2.gz GMCHYFDCOMHKKW-UHFFFAOYSA-N 0 0 193.246 1.192 10 0 ADAERN CC[C@](C)(NCc1ccco1)C(N)=O 393661526 573312902 /nfs/dbraw/zinc/31/29/02/573312902.db2.gz XOLJGLBJURNNFZ-JTQLQIEISA-N 0 0 196.250 1.023 10 0 ADAERN CCc1cc(CC)n(CC[C@H](C)O)n1 132530262 573312910 /nfs/dbraw/zinc/31/29/10/573312910.db2.gz GVZNUXQVQOYKSE-VIFPVBQESA-N 0 0 196.294 1.779 10 0 ADAERN CC/C(=C\[C@@H]1CCOC1)CO 86209322 573312911 /nfs/dbraw/zinc/31/29/11/573312911.db2.gz KNUPIHPIKZXSNP-QRJSTWQJSA-N 0 0 156.225 1.352 10 0 ADAERN CO[C@H]1CCC=C[C@@H]1CC(C)=O 238345126 573312915 /nfs/dbraw/zinc/31/29/15/573312915.db2.gz WJTCDHNMDBQHOE-ZJUUUORDSA-N 0 0 168.236 1.947 10 0 ADAERN Cc1ccc(CCON)c2c1OCO2 258001351 573312928 /nfs/dbraw/zinc/31/29/28/573312928.db2.gz GMYXVYKUPRYWKH-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN CNc1cnc(Cl)c(F)c1 238345972 573312929 /nfs/dbraw/zinc/31/29/29/573312929.db2.gz ZVBIKZLBQNTLNA-UHFFFAOYSA-N 0 0 160.579 1.916 10 0 ADAERN CCCOC[C@@H](O)[C@@H](CC)OC 132521620 573312930 /nfs/dbraw/zinc/31/29/30/573312930.db2.gz PDEKAJKZWCZDRG-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cnco1 86203642 573312944 /nfs/dbraw/zinc/31/29/44/573312944.db2.gz XRYUFKYBDIQIBE-APPZFPTMSA-N 0 0 167.208 1.682 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cnccn1 86203936 573312952 /nfs/dbraw/zinc/31/29/52/573312952.db2.gz QZIHNMXTZMEGFD-WPRPVWTQSA-N 0 0 178.235 1.484 10 0 ADAERN C=Cc1cc(=O)c(C)c[nH]1 209760296 573312957 /nfs/dbraw/zinc/31/29/57/573312957.db2.gz YAZUPAQAZPCAJJ-UHFFFAOYSA-N 0 0 135.166 1.326 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1c[nH]nc1C 86202666 573312961 /nfs/dbraw/zinc/31/29/61/573312961.db2.gz IUYCOHXFASXSAT-WCBMZHEXSA-N 0 0 180.251 1.726 10 0 ADAERN CNc1cnc(C=O)c(F)c1 238345864 573312981 /nfs/dbraw/zinc/31/29/81/573312981.db2.gz RONVMFUPDBWGAP-UHFFFAOYSA-N 0 0 154.144 1.075 10 0 ADAERN OC1C[C@@H]2CC(F)C[C@H]2C1 259081562 573312982 /nfs/dbraw/zinc/31/29/82/573312982.db2.gz CPEDNKPOOBFGGJ-LHZZQDSXSA-N 0 0 144.189 1.505 10 0 ADAERN COC(=O)[C@H](N[C@H]1CC[C@H]1C)C(C)C 308547246 573313002 /nfs/dbraw/zinc/31/30/02/573313002.db2.gz QCBZRHSYQULKRT-KXUCPTDWSA-N 0 0 199.294 1.572 10 0 ADAERN CC[C@@H](N)C(=O)c1ccccc1O 74305255 573313003 /nfs/dbraw/zinc/31/30/03/573313003.db2.gz WJIQIUBFQBUDKJ-MRVPVSSYSA-N 0 0 179.219 1.312 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1ccnn1C 86203851 573313006 /nfs/dbraw/zinc/31/30/06/573313006.db2.gz PSVIDKUQWRTYFS-SCZZXKLOSA-N 0 0 180.251 1.428 10 0 ADAERN COc1ccc(Cl)nc1C(C)=O 238344830 573313021 /nfs/dbraw/zinc/31/30/21/573313021.db2.gz MULNNUDUVKLRII-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN CNc1cnnc2ccc(O)cc12 238346646 573313035 /nfs/dbraw/zinc/31/30/35/573313035.db2.gz ZSGPPFOOQPCFLW-UHFFFAOYSA-N 0 0 175.191 1.377 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1c[nH]nc1C 86202668 573313045 /nfs/dbraw/zinc/31/30/45/573313045.db2.gz IUYCOHXFASXSAT-SCZZXKLOSA-N 0 0 180.251 1.726 10 0 ADAERN CO[C@H]1CCC=C([C@H](O)C(C)C)O1 238345002 573313058 /nfs/dbraw/zinc/31/30/58/573313058.db2.gz WCOLTEGJZCCNAN-NXEZZACHSA-N 0 0 186.251 1.670 10 0 ADAERN Cc1[nH]c(-c2ccccc2)nc1N 106775269 573313073 /nfs/dbraw/zinc/31/30/73/573313073.db2.gz PAKVXFJETXHVHS-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN C[Si](C)(C)[C@@H]1CCCNC1=O 198096722 573313087 /nfs/dbraw/zinc/31/30/87/573313087.db2.gz OUCFWVWVBNCYJT-SSDOTTSWSA-N 0 0 171.316 1.605 10 0 ADAERN CCC[C@H]1C[C@]1(O)C1CCOCC1 86203240 573313097 /nfs/dbraw/zinc/31/30/97/573313097.db2.gz LMHDVWPYRDTEIM-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H](CO)c1ccc2nnn(C)c2c1 258001236 573313103 /nfs/dbraw/zinc/31/31/03/573313103.db2.gz GLCSUVYQISCCKO-SSDOTTSWSA-N 0 0 191.234 1.064 10 0 ADAERN CNc1ccccc1C1=NC[C@@H](C)O1 238341237 573322497 /nfs/dbraw/zinc/32/24/97/573322497.db2.gz CGPDULAVHNMSMT-MRVPVSSYSA-N 0 0 190.246 1.894 10 0 ADAERN CNC(=O)Nc1nc2ccccc2o1 238352868 573322538 /nfs/dbraw/zinc/32/25/38/573322538.db2.gz UXBMLTMNWUSBDN-UHFFFAOYSA-N 0 0 191.190 1.579 10 0 ADAERN COc1ccccc(Cl)c1=O 238342152 573322543 /nfs/dbraw/zinc/32/25/43/573322543.db2.gz AMDUXBKFSIRQDV-UHFFFAOYSA-N 0 0 170.595 1.709 10 0 ADAERN COC(F)(F)Oc1cccc(N)c1 238342076 573322565 /nfs/dbraw/zinc/32/25/65/573322565.db2.gz CMIIJRBIVCISRH-UHFFFAOYSA-N 0 0 189.161 1.844 10 0 ADAERN CC(C)(C)[N@@H+]1CCC/C(=C\C(=O)[O-])C1 106874664 573322566 /nfs/dbraw/zinc/32/25/66/573322566.db2.gz SZHMDKUYWGNGOV-VQHVLOKHSA-N 0 0 197.278 1.892 10 0 ADAERN CNC(=O)c1ccc(O)cc1SC 238341802 573322574 /nfs/dbraw/zinc/32/25/74/573322574.db2.gz DZLSQPSETDEAIW-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN C[C@@H]1CC(=O)N(CCC(C)(C)O)C1 86234524 573322575 /nfs/dbraw/zinc/32/25/75/573322575.db2.gz OLEUSJNQLKFMHS-MRVPVSSYSA-N 0 0 185.267 1.016 10 0 ADAERN CC(C)(O)CCN1CCCCC1=O 86234463 573322592 /nfs/dbraw/zinc/32/25/92/573322592.db2.gz BCLMDZSITBZHHW-UHFFFAOYSA-N 0 0 185.267 1.160 10 0 ADAERN CCNC(=O)SC(C)C 78013167 573322610 /nfs/dbraw/zinc/32/26/10/573322610.db2.gz KMNUYYDZFHFNNA-UHFFFAOYSA-N 0 0 147.243 1.858 10 0 ADAERN COC(=O)[C@@H](C)c1ccc(C)c(O)c1 238342498 573322620 /nfs/dbraw/zinc/32/26/20/573322620.db2.gz QELYOMHGDVLUGX-QMMMGPOBSA-N 0 0 194.230 1.977 10 0 ADAERN CN1C[C@H]2CCCC[C@H]2NC1=O 238352903 573322652 /nfs/dbraw/zinc/32/26/52/573322652.db2.gz CRQUFLNJWJQCAB-HTQZYQBOSA-N 0 0 168.240 1.200 10 0 ADAERN CCCC(=O)C[C@H](C)OC 117093549 573322667 /nfs/dbraw/zinc/32/26/67/573322667.db2.gz DTHPGVOLCGMIBQ-ZETCQYMHSA-N 0 0 144.214 1.781 10 0 ADAERN CC(=O)[C@H](F)[C@H]1CCCCO1 258492620 573322674 /nfs/dbraw/zinc/32/26/74/573322674.db2.gz KEKWTGYVWQMXNX-SFYZADRCSA-N 0 0 160.188 1.483 10 0 ADAERN CC(C)(C)NC(=O)[C@@H]1CCCC(=O)C1 106874623 573322676 /nfs/dbraw/zinc/32/26/76/573322676.db2.gz LHHXBBKLUGRIPT-MRVPVSSYSA-N 0 0 197.278 1.660 10 0 ADAERN CC(C)(C)[C@@H]1CC[NH2+][C@H]1C(=O)[O-] 86229325 573322686 /nfs/dbraw/zinc/32/26/86/573322686.db2.gz BORWRDJMCFDQPY-RNFRBKRXSA-N 0 0 171.240 1.095 10 0 ADAERN CN1CC(=O)[C@H]2CCCC[C@@H]2C1 238352804 573322688 /nfs/dbraw/zinc/32/26/88/573322688.db2.gz FRVWVPOTTYODBB-BDAKNGLRSA-N 0 0 167.252 1.307 10 0 ADAERN CCOC[C@@H](C)N[C@@H](C)c1ncon1 308548825 573322691 /nfs/dbraw/zinc/32/26/91/573322691.db2.gz WODIWSIBPZBOIL-SFYZADRCSA-N 0 0 199.254 1.145 10 0 ADAERN CC(C)=CC(=O)NCCOC(C)(C)C 308552424 573322711 /nfs/dbraw/zinc/32/27/11/573322711.db2.gz ZCRMRNXJMUGLTK-UHFFFAOYSA-N 0 0 199.294 1.884 10 0 ADAERN COc1cc(C(F)F)nc(F)c1O 238352863 573322712 /nfs/dbraw/zinc/32/27/12/573322712.db2.gz KBVKZRLGYLVBMB-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCOC2)on1 259416023 573322732 /nfs/dbraw/zinc/32/27/32/573322732.db2.gz YBYPRNVWQQWAPN-MRVPVSSYSA-N 0 0 195.218 1.771 10 0 ADAERN O=C([O-])C/C=C\C[C@@H]1CC[NH2+]C1 258004827 573322774 /nfs/dbraw/zinc/32/27/74/573322774.db2.gz APHNTTQIUPUOJL-SLYZXXNYSA-N 0 0 169.224 1.017 10 0 ADAERN C[C@@H](O)/C=C/C(C)(C)C 117103672 573322785 /nfs/dbraw/zinc/32/27/85/573322785.db2.gz ZOQNSGFAAIUNOP-WEWAHIQMSA-N 0 0 128.215 1.970 10 0 ADAERN CN[C@H](O)c1cc(F)ccc1F 259606612 573322791 /nfs/dbraw/zinc/32/27/91/573322791.db2.gz YHBZYJZCGYLLNN-MRVPVSSYSA-N 0 0 173.162 1.175 10 0 ADAERN CNc1ccn2nccc2c1 224031318 573322800 /nfs/dbraw/zinc/32/28/00/573322800.db2.gz SWYNNRSHRBGPOY-UHFFFAOYSA-N 0 0 147.181 1.376 10 0 ADAERN CNc1ccccc1NC(=O)N(C)C 238342195 573322802 /nfs/dbraw/zinc/32/28/02/573322802.db2.gz DPYSUFUOCMEYFP-UHFFFAOYSA-N 0 0 193.250 1.822 10 0 ADAERN O=C(Nc1ccc(F)cc1)OCCO 86232058 573322804 /nfs/dbraw/zinc/32/28/04/573322804.db2.gz DTADMOLEVMLLOZ-UHFFFAOYSA-N 0 0 199.181 1.367 10 0 ADAERN C[C@@H]1CNCC(=O)N1C1CCCCC1 106873624 573322812 /nfs/dbraw/zinc/32/28/12/573322812.db2.gz DOGMJCHTAKTOBL-SECBINFHSA-N 0 0 196.294 1.139 10 0 ADAERN C[C@@H](O)[C@@](C)(O)C(C)(C)C 117106432 573322820 /nfs/dbraw/zinc/32/28/20/573322820.db2.gz JADDUUPGTVQKKQ-HTRCEHHLSA-N 0 0 146.230 1.164 10 0 ADAERN CCO[C@H](C)CN1CCC(=O)[C@H](C)C1 252935100 573322838 /nfs/dbraw/zinc/32/28/38/573322838.db2.gz FDIAGJZIDRGVNN-NXEZZACHSA-N 0 0 199.294 1.322 10 0 ADAERN CC(C)CCN1C(=O)CNCC1(C)C 106875788 573322839 /nfs/dbraw/zinc/32/28/39/573322839.db2.gz JBGPUOXFMGLUFQ-UHFFFAOYSA-N 0 0 198.310 1.243 10 0 ADAERN COC(=O)c1cc(C)cn2nccc12 238352636 573322846 /nfs/dbraw/zinc/32/28/46/573322846.db2.gz DRMSJIQZNJMYDV-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN Nc1cc2nc(C=O)oc2s1 74334723 573322884 /nfs/dbraw/zinc/32/28/84/573322884.db2.gz IZYYYIVNHDYIHK-UHFFFAOYSA-N 0 0 168.177 1.284 10 0 ADAERN CC(C)(O)CCN1CCCCCC1=O 86234420 573322888 /nfs/dbraw/zinc/32/28/88/573322888.db2.gz WRDTYLDDOBYWRD-UHFFFAOYSA-N 0 0 199.294 1.550 10 0 ADAERN C[C@H]1NC(C)(C)C(=O)N1C1CCCC1 106873734 573322894 /nfs/dbraw/zinc/32/28/94/573322894.db2.gz VKBFLVHGAGBLKG-QMMMGPOBSA-N 0 0 196.294 1.485 10 0 ADAERN CCC(=O)[C@H](C)N1CCO[C@H](C)C1 82953807 573322896 /nfs/dbraw/zinc/32/28/96/573322896.db2.gz TZICGDKVZAHVNO-BDAKNGLRSA-N 0 0 185.267 1.075 10 0 ADAERN CCc1cc(OC)ncc1C=O 238341877 573322900 /nfs/dbraw/zinc/32/29/00/573322900.db2.gz HHCKWXBBFNYBPB-UHFFFAOYSA-N 0 0 165.192 1.465 10 0 ADAERN CCOC[C@H](C)N[C@@H](C)c1ncon1 308548828 573322911 /nfs/dbraw/zinc/32/29/11/573322911.db2.gz WODIWSIBPZBOIL-YUMQZZPRSA-N 0 0 199.254 1.145 10 0 ADAERN CCCC(C)(C)N1C(=O)CNC[C@@H]1C 106875825 573322916 /nfs/dbraw/zinc/32/29/16/573322916.db2.gz BNASDMVSLGSYGW-VIFPVBQESA-N 0 0 198.310 1.385 10 0 ADAERN COc1cc(F)cc2c1CNC2=O 238353065 573322930 /nfs/dbraw/zinc/32/29/30/573322930.db2.gz YIAKMMADDUGKLT-UHFFFAOYSA-N 0 0 181.166 1.078 10 0 ADAERN COC(=N)CNc1ccccc1 238341272 573322936 /nfs/dbraw/zinc/32/29/36/573322936.db2.gz ADASPTAPFRUTDM-UHFFFAOYSA-N 0 0 164.208 1.722 10 0 ADAERN CO[C@H]1CC(=O)c2ccc(O)cc21 238341447 573322954 /nfs/dbraw/zinc/32/29/54/573322954.db2.gz NMSODBVAPAVVGF-JTQLQIEISA-N 0 0 178.187 1.666 10 0 ADAERN COc1cc(=O)[nH]c2ccc(N)cc12 117058378 573322978 /nfs/dbraw/zinc/32/29/78/573322978.db2.gz RQRBQQSUORJGBB-UHFFFAOYSA-N 0 0 190.202 1.119 10 0 ADAERN CC(C)(C)CN1C(=O)CNCC1(C)C 106875791 573322992 /nfs/dbraw/zinc/32/29/92/573322992.db2.gz IBJLQNGFYBOMGF-UHFFFAOYSA-N 0 0 198.310 1.243 10 0 ADAERN O=Cc1n[nH]c2c1CSCC2 74333790 573323003 /nfs/dbraw/zinc/32/30/03/573323003.db2.gz SVUMCEZGGXBTEF-UHFFFAOYSA-N 0 0 168.221 1.012 10 0 ADAERN CCc1nc(CN)oc1C1CC1 74337624 573323012 /nfs/dbraw/zinc/32/30/12/573323012.db2.gz OEPIIDIVIRMBQF-UHFFFAOYSA-N 0 0 166.224 1.573 10 0 ADAERN CC[C@@H](C)[N@@H+]1CCC/C(=C\C(=O)[O-])C1 106874658 573323016 /nfs/dbraw/zinc/32/30/16/573323016.db2.gz NDUQAYCXKWIKAZ-YIXGCBLDSA-N 0 0 197.278 1.892 10 0 ADAERN C[C@H]1C[C@](O)(CCC(F)(F)F)CO1 401863695 573323020 /nfs/dbraw/zinc/32/30/20/573323020.db2.gz DXWFDQKPMAZSDM-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN CNc1noc2cccc(OC)c12 117095272 573323025 /nfs/dbraw/zinc/32/30/25/573323025.db2.gz XWYUHPRYDJMYJH-UHFFFAOYSA-N 0 0 178.191 1.878 10 0 ADAERN COC(=O)C/C=C\CC1CCOCC1 258303943 573323037 /nfs/dbraw/zinc/32/30/37/573323037.db2.gz UZGOYMUBURYNDO-IHWYPQMZSA-N 0 0 198.262 1.922 10 0 ADAERN COCc1cccc(C2(O)CC2)c1F 258003894 573323063 /nfs/dbraw/zinc/32/30/63/573323063.db2.gz GUKANDMMNHTNDD-UHFFFAOYSA-N 0 0 196.221 1.954 10 0 ADAERN Cc1ccnn1CCC(C)(C)O 86234556 573323111 /nfs/dbraw/zinc/32/31/11/573323111.db2.gz DHTWVVSIDDSHKV-UHFFFAOYSA-N 0 0 168.240 1.353 10 0 ADAERN CCOc1cccc([O-])c1C(N)=[NH2+] 117092599 573323114 /nfs/dbraw/zinc/32/31/14/573323114.db2.gz LNGYBJZJTXZIKY-UHFFFAOYSA-N 0 0 180.207 1.075 10 0 ADAERN NCC(F)(F)c1ccccc1F 107275242 573323119 /nfs/dbraw/zinc/32/31/19/573323119.db2.gz BZUBGNWHKFQLBG-UHFFFAOYSA-N 0 0 175.153 1.876 10 0 ADAERN CCC(=O)[C@@H](C)[S@](=O)C(C)C 82954451 573323147 /nfs/dbraw/zinc/32/31/47/573323147.db2.gz OGAATWDGLMEOIY-HQJQHLMTSA-N 0 0 176.281 1.511 10 0 ADAERN CCCn1ncc(C)c1C[NH2+]C1CC1 308552697 573323163 /nfs/dbraw/zinc/32/31/63/573323163.db2.gz STTKVQBLZQYHPV-UHFFFAOYSA-N 0 0 193.294 1.854 10 0 ADAERN C[C@H]1C[C@H]1c1ccc(CCO)o1 82955005 573323181 /nfs/dbraw/zinc/32/31/81/573323181.db2.gz GJIQMIBGTPVOQF-IONNQARKSA-N 0 0 166.220 1.938 10 0 ADAERN COc1c[nH]c(=O)c(F)c1C(F)F 238341381 573323184 /nfs/dbraw/zinc/32/31/84/573323184.db2.gz KJBRPTSHOYKWAT-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN Cn1ccc(C[C@@](C)(O)C2(C)CC2)n1 124079667 573323222 /nfs/dbraw/zinc/32/32/22/573323222.db2.gz GLNSFCOUQOHAON-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN C[C@@H]1Nc2cccc(O)c2OC1=O 259416612 573323252 /nfs/dbraw/zinc/32/32/52/573323252.db2.gz YDXDLUDQLDVEKZ-YFKPBYRVSA-N 0 0 179.175 1.112 10 0 ADAERN Cc1cccc(=O)n1CCC(C)(C)O 86234472 573323253 /nfs/dbraw/zinc/32/32/53/573323253.db2.gz XIDSXKWDEXXIQO-UHFFFAOYSA-N 0 0 195.262 1.318 10 0 ADAERN Cn1ccc(C[C@@H](O)C2CCC2)n1 124081158 573323267 /nfs/dbraw/zinc/32/32/67/573323267.db2.gz IDACISKWJDIVDD-SNVBAGLBSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@@H](O)C(=O)N(C)[C@H](C)C1CCC1 308345883 573333412 /nfs/dbraw/zinc/33/34/12/573333412.db2.gz VEVVLPWATRWTAE-HTQZYQBOSA-N 0 0 185.267 1.014 10 0 ADAERN CCc1nnn(C(C)C)c1C=O 258631434 573333451 /nfs/dbraw/zinc/33/34/51/573333451.db2.gz XWYYGCIRHHMAAV-UHFFFAOYSA-N 0 0 167.212 1.234 10 0 ADAERN Cc1cc(C(=O)CN)ccc1Cl 74367513 573333474 /nfs/dbraw/zinc/33/34/74/573333474.db2.gz ULBGTJGMTMUYGI-UHFFFAOYSA-N 0 0 183.638 1.790 10 0 ADAERN Cc1cnnc(NC[C@@H]2CC2(F)F)c1 717358830 573333482 /nfs/dbraw/zinc/33/34/82/573333482.db2.gz IVSVQKAQKAKDAO-ZETCQYMHSA-N 0 0 199.204 1.852 10 0 ADAERN COC(=O)CNc1cccs1 117277746 573333524 /nfs/dbraw/zinc/33/35/24/573333524.db2.gz FEESOAPNDJECAQ-UHFFFAOYSA-N 0 0 171.221 1.333 10 0 ADAERN C[C@@H](C1CCC1)N(C)C(=O)[C@@H](C)O 308345884 573334127 /nfs/dbraw/zinc/33/41/27/573334127.db2.gz VEVVLPWATRWTAE-JGVFFNPUSA-N 0 0 185.267 1.014 10 0 ADAERN Cc1nc2cc([C@H](C)O)ccc2n1C 74370075 573334133 /nfs/dbraw/zinc/33/41/33/573334133.db2.gz ITPJDAXNSUMXCB-ZETCQYMHSA-N 0 0 190.246 1.935 10 0 ADAERN CCC(=O)c1c(N)cccc1N(C)C 143544496 573334136 /nfs/dbraw/zinc/33/41/36/573334136.db2.gz NEXMGGDGWSBROQ-UHFFFAOYSA-N 0 0 192.262 1.928 10 0 ADAERN CCOC[C@H](NC)c1ncc(C)cn1 132684617 573334152 /nfs/dbraw/zinc/33/41/52/573334152.db2.gz PMIANEMYRQXTEQ-VIFPVBQESA-N 0 0 195.266 1.082 10 0 ADAERN Cc1cccc2c1NC(=O)[C@@H]2CCO 106965642 573333546 /nfs/dbraw/zinc/33/35/46/573333546.db2.gz SJYQLNIYKTULKF-SECBINFHSA-N 0 0 191.230 1.413 10 0 ADAERN CCCN(OC)c1nc(C)ccc1N 308560633 573333552 /nfs/dbraw/zinc/33/35/52/573333552.db2.gz VSYPGVZEKBRHEX-UHFFFAOYSA-N 0 0 195.266 1.750 10 0 ADAERN CC[C@@H](CNc1ncccc1N)OC 308560167 573333608 /nfs/dbraw/zinc/33/36/08/573333608.db2.gz DTLXZFCDYJWWLI-QMMMGPOBSA-N 0 0 195.266 1.501 10 0 ADAERN Nc1cc([C@H]2CCCCO2)n[nH]c1=O 259420176 573333615 /nfs/dbraw/zinc/33/36/15/573333615.db2.gz KCGNBMDVIVTATL-MRVPVSSYSA-N 0 0 195.222 1.006 10 0 ADAERN CNc1ncnc2ncc(Cl)nc12 238360086 573333617 /nfs/dbraw/zinc/33/36/17/573333617.db2.gz GEVLFDUFAUPRKQ-UHFFFAOYSA-N 0 0 195.613 1.115 10 0 ADAERN CCOCCC[C@@H](O)c1cn(C)cn1 308560664 573333643 /nfs/dbraw/zinc/33/36/43/573333643.db2.gz VUTHOPXIVPLZIB-SNVBAGLBSA-N 0 0 198.266 1.270 10 0 ADAERN CC(=O)Nc1nc2n(n1)[C@H](C)CCC2 74380127 573333660 /nfs/dbraw/zinc/33/36/60/573333660.db2.gz UXMAIORTBFXKCB-ZCFIWIBFSA-N 0 0 194.238 1.134 10 0 ADAERN CCOc1cnn(C[C@@H](O)C2CC2)c1 308550714 573333664 /nfs/dbraw/zinc/33/36/64/573333664.db2.gz PXLDAGPQSIBIBU-SNVBAGLBSA-N 0 0 196.250 1.053 10 0 ADAERN COc1cc(F)cn2ccnc12 238358744 573333704 /nfs/dbraw/zinc/33/37/04/573333704.db2.gz REJPWBFMLHEGEM-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN CC(=O)c1cnc(-c2ccccn2)o1 258304962 573333723 /nfs/dbraw/zinc/33/37/23/573333723.db2.gz ZZNWYVYPPLADRS-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN COC(=O)Cc1nc(Cl)c(C)o1 259608217 573333733 /nfs/dbraw/zinc/33/37/33/573333733.db2.gz DMKXNMSEIQIXQW-UHFFFAOYSA-N 0 0 189.598 1.352 10 0 ADAERN CNc1nccnc1Br 238358506 573333745 /nfs/dbraw/zinc/33/37/45/573333745.db2.gz FPYJZKKYLJEMCX-UHFFFAOYSA-N 0 0 188.028 1.281 10 0 ADAERN OC[C@@H](CC1COC1)C1CCCC1 258632028 573333774 /nfs/dbraw/zinc/33/37/74/573333774.db2.gz REIZTZDUJWSOFT-LLVKDONJSA-N 0 0 184.279 1.822 10 0 ADAERN c1coc(-c2nc3cncnc3[nH]2)c1 143501692 573333778 /nfs/dbraw/zinc/33/37/78/573333778.db2.gz OEOXWZBBXWAFRC-UHFFFAOYSA-N 0 0 186.174 1.613 10 0 ADAERN CCN(C=O)Cc1ccccc1 78067157 573333804 /nfs/dbraw/zinc/33/38/04/573333804.db2.gz KOWYKEKMCVHRDC-UHFFFAOYSA-N 0 0 163.220 1.665 10 0 ADAERN CC(C)(O)Cc1cccc(CON)c1 259420203 573333823 /nfs/dbraw/zinc/33/38/23/573333823.db2.gz KCXREQQRXLJKDR-UHFFFAOYSA-N 0 0 195.262 1.390 10 0 ADAERN CNc1nccn2cccc12 238358487 573333837 /nfs/dbraw/zinc/33/38/37/573333837.db2.gz LLCRYCCMPJIYGZ-UHFFFAOYSA-N 0 0 147.181 1.376 10 0 ADAERN Cc1nnc2c(N)ccc(Cl)n12 74375801 573333849 /nfs/dbraw/zinc/33/38/49/573333849.db2.gz AVRCDIKLUMJCFF-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN CC(C)(C)N1CSC(N)=NC1=O 143556852 573333852 /nfs/dbraw/zinc/33/38/52/573333852.db2.gz DKXPJWSAHXFYGC-UHFFFAOYSA-N 0 0 187.268 1.226 10 0 ADAERN CNC(=S)CNc1ccccc1 238359150 573333868 /nfs/dbraw/zinc/33/38/68/573333868.db2.gz RMCPSTSGJPLNHF-UHFFFAOYSA-N 0 0 180.276 1.645 10 0 ADAERN COc1ccc2c(c1)C[C@H]2C(C)=O 238359566 573333876 /nfs/dbraw/zinc/33/38/76/573333876.db2.gz HGKLQGLNUNCRQT-NSHDSACASA-N 0 0 176.215 1.924 10 0 ADAERN CO[C@H](C)Cc1ccc(O)cc1 117278239 573333892 /nfs/dbraw/zinc/33/38/92/573333892.db2.gz JORUXMRBODPXQA-MRVPVSSYSA-N 0 0 166.220 1.970 10 0 ADAERN Cc1cc2oc(=O)ccc2cc1C=O 143550945 573334199 /nfs/dbraw/zinc/33/41/99/573334199.db2.gz MLPIJWMCMVYONK-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN COC1=C[C@H](O)CCC1 224054374 573333918 /nfs/dbraw/zinc/33/39/18/573333918.db2.gz BBKHDUHZCPBWLW-ZCFIWIBFSA-N 0 0 128.171 1.062 10 0 ADAERN COc1cc(F)cn2nccc12 238358913 573333922 /nfs/dbraw/zinc/33/39/22/573333922.db2.gz MHOVZBBPXKBVBV-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN COc1nn2c(C)cccc2c1N 117276080 573333939 /nfs/dbraw/zinc/33/39/39/573333939.db2.gz NCDRUQNCUMAUCV-UHFFFAOYSA-N 0 0 177.207 1.234 10 0 ADAERN COc1cc(F)cnc1C(C)=O 238358967 573333943 /nfs/dbraw/zinc/33/39/43/573333943.db2.gz YZWPOMVBJLTPHP-UHFFFAOYSA-N 0 0 169.155 1.432 10 0 ADAERN OCCCc1cc2c(cc1F)OCC2 258006266 573333969 /nfs/dbraw/zinc/33/39/69/573333969.db2.gz HBDLSRYUCHDZEQ-UHFFFAOYSA-N 0 0 196.221 1.686 10 0 ADAERN C[C@@H](CO)Sc1cc[nH]c1 259089300 573333970 /nfs/dbraw/zinc/33/39/70/573333970.db2.gz OZPVSMINVLYBTR-LURJTMIESA-N 0 0 157.238 1.488 10 0 ADAERN C=Cc1cc(F)cnc1C(=O)OC 238359916 573333979 /nfs/dbraw/zinc/33/39/79/573333979.db2.gz DVMYWTCAHHIJHF-UHFFFAOYSA-N 0 0 181.166 1.650 10 0 ADAERN CC[C@@H]1CC(=S)NCCS1 143539777 573333997 /nfs/dbraw/zinc/33/39/97/573333997.db2.gz MSPCELNSDYQJAW-ZCFIWIBFSA-N 0 0 175.322 1.819 10 0 ADAERN CC(=O)Cc1nc(-c2cc[nH]c2)c[nH]1 259089599 573334007 /nfs/dbraw/zinc/33/40/07/573334007.db2.gz MQGPSLBSWZHNGX-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN COc1ccc2c(c1)[C@@](C)(O)CC2 86244755 573334023 /nfs/dbraw/zinc/33/40/23/573334023.db2.gz RIFAFWLVXLSIIJ-NSHDSACASA-N 0 0 178.231 1.849 10 0 ADAERN [NH3+]Cc1cccnc1SC1COC1 236163945 573334033 /nfs/dbraw/zinc/33/40/33/573334033.db2.gz GQXZYRWGKCZGHG-UHFFFAOYSA-N 0 0 196.275 1.031 10 0 ADAERN COc1cc(Cl)c2c(c1)C(=O)NC2 238359147 573334039 /nfs/dbraw/zinc/33/40/39/573334039.db2.gz NQOUXNHEGWBOMN-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN COc1ccc2c(c1)[C@H](O)[C@@H](OC)C2 86244797 573334081 /nfs/dbraw/zinc/33/40/81/573334081.db2.gz WXSDQTPEOHOTRN-QWRGUYRKSA-N 0 0 194.230 1.300 10 0 ADAERN Cc1cn2ccc(Cl)c(N)c2n1 74377307 573334099 /nfs/dbraw/zinc/33/40/99/573334099.db2.gz BMDNFOHMSLIOBR-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN Cc1cccc2c1C[C@H]([C@H](C)O)O2 258007210 573334108 /nfs/dbraw/zinc/33/41/08/573334108.db2.gz CKJNKKIOTXCEKF-GZMMTYOYSA-N 0 0 178.231 1.679 10 0 ADAERN CC[C@H](C)/C=C/C=C\C[C@@H]([NH3+])C(=O)[O-] 308350141 573333400 /nfs/dbraw/zinc/33/34/00/573333400.db2.gz JKGMWERDMUJXSH-YCEVWKJMSA-N 0 0 197.278 1.947 10 0 ADAERN COc1cc(F)cc2ncc(N)n12 238354547 573337036 /nfs/dbraw/zinc/33/70/36/573337036.db2.gz YFYBHAJELPXHKF-UHFFFAOYSA-N 0 0 181.170 1.064 10 0 ADAERN C[C@H](O)[C@@H]1COc2ccc(F)cc21 258003611 573337059 /nfs/dbraw/zinc/33/70/59/573337059.db2.gz IOMFWCBDYARDNC-RCOVLWMOSA-N 0 0 182.194 1.683 10 0 ADAERN C[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2 143514916 573337082 /nfs/dbraw/zinc/33/70/82/573337082.db2.gz DDADYYRAWPFXAO-LXGUWJNJSA-N 0 0 126.199 1.413 10 0 ADAERN CN1Cc2n[nH]cc2[C@H]1C1CC1 238355478 573337088 /nfs/dbraw/zinc/33/70/88/573337088.db2.gz NHBDTFYZQCCOAG-SECBINFHSA-N 0 0 163.224 1.306 10 0 ADAERN Cc1cccc(C[C@H]2COC[C@@H]2O)c1 687979298 573337096 /nfs/dbraw/zinc/33/70/96/573337096.db2.gz FKOXQESLOUXHMD-RYUDHWBXSA-N 0 0 192.258 1.545 10 0 ADAERN CN1CC2(CCCC2)CNC1=O 238356005 573337102 /nfs/dbraw/zinc/33/71/02/573337102.db2.gz YUHKURIYBJVLKP-UHFFFAOYSA-N 0 0 168.240 1.202 10 0 ADAERN COc1cc(C(F)F)ncc1C=O 238355337 573337153 /nfs/dbraw/zinc/33/71/53/573337153.db2.gz BQPOPGYUYCXFFH-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN C[C@@H]1C=CC[C@@H]([C@H](C)O)C1 143621976 573337159 /nfs/dbraw/zinc/33/71/59/573337159.db2.gz NZVXDCCJQFBHAX-HRDYMLBCSA-N 0 0 140.226 1.970 10 0 ADAERN CC[C@H](C)[C@H]1OCC[C@H]1CO 86250941 573337173 /nfs/dbraw/zinc/33/71/73/573337173.db2.gz WHBNZLYQEHKFTB-XHNCKOQMSA-N 0 0 158.241 1.430 10 0 ADAERN Cc1cnc2c(N)ccc(Cl)n12 74376066 573337183 /nfs/dbraw/zinc/33/71/83/573337183.db2.gz JEBOCQDNSBNPEO-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN COc1cc(F)cc2ccnn12 238354236 573337185 /nfs/dbraw/zinc/33/71/85/573337185.db2.gz AHIIDKFOARJULL-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN CNc1nnc(CC(C)C)o1 74383753 573337198 /nfs/dbraw/zinc/33/71/98/573337198.db2.gz DDKWIXYKQIWFDJ-UHFFFAOYSA-N 0 0 155.201 1.310 10 0 ADAERN CO[C@H]1CC[C@H](C)C(=O)C1 238355828 573337203 /nfs/dbraw/zinc/33/72/03/573337203.db2.gz RKUTZBXRHQLXDS-BQBZGAKWSA-N 0 0 142.198 1.391 10 0 ADAERN O=C1CC[C@@H](O)CN1c1ccccc1 259422021 573337231 /nfs/dbraw/zinc/33/72/31/573337231.db2.gz NLCRMCKMLGCJFS-SNVBAGLBSA-N 0 0 191.230 1.174 10 0 ADAERN COc1ccc(C(F)F)c(N)n1 238355875 573337235 /nfs/dbraw/zinc/33/72/35/573337235.db2.gz UTGKJTKRAIFYQY-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN O=C(CF)C(Cl)(Cl)Cl 143535784 573337238 /nfs/dbraw/zinc/33/72/38/573337238.db2.gz FUFCUFWFGUOCIY-UHFFFAOYSA-N 0 0 179.405 1.895 10 0 ADAERN O=C1NC[C@@H]2c3ccccc3C[C@H]12 117444727 573336555 /nfs/dbraw/zinc/33/65/55/573336555.db2.gz GGUUHRCQFGFCQK-VHSXEESVSA-N 0 0 173.215 1.072 10 0 ADAERN CC(=O)O[C@H]1CCOC(C)(C)O1 117397760 573336602 /nfs/dbraw/zinc/33/66/02/573336602.db2.gz UZQMOIVWHYIWBO-SSDOTTSWSA-N 0 0 174.196 1.049 10 0 ADAERN COC(OC)c1nc(C)c(C)[nH]1 238355281 573336604 /nfs/dbraw/zinc/33/66/04/573336604.db2.gz CWYBYUXFTJTOJW-UHFFFAOYSA-N 0 0 170.212 1.318 10 0 ADAERN CC(C)C[C@](O)(CO)c1ccccc1 132791990 573336612 /nfs/dbraw/zinc/33/66/12/573336612.db2.gz NOIMJLRJZHKVPO-LBPRGKRZSA-N 0 0 194.274 1.913 10 0 ADAERN COc1nc(C(C)(C)C)ccc1CO 238355878 573336633 /nfs/dbraw/zinc/33/66/33/573336633.db2.gz IENQSIQPIYXIMY-UHFFFAOYSA-N 0 0 195.262 1.880 10 0 ADAERN CCOCC(=O)c1ccncc1C 132792004 573336655 /nfs/dbraw/zinc/33/66/55/573336655.db2.gz VPLMSFNSCBJGSZ-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN CO[C@H](C)CC[C@H](NN)C(C)(C)C 132792148 573336675 /nfs/dbraw/zinc/33/66/75/573336675.db2.gz LZMHBUKBHYTMTA-BDAKNGLRSA-N 0 0 188.315 1.680 10 0 ADAERN CC(C)(ON)c1ccccn1 259423354 573336692 /nfs/dbraw/zinc/33/66/92/573336692.db2.gz JUTDJDGKVRVNKT-UHFFFAOYSA-N 0 0 152.197 1.207 10 0 ADAERN C[C@@H]1C=CC[C@H]([C@H](C)O)C1 143622395 573336705 /nfs/dbraw/zinc/33/67/05/573336705.db2.gz NZVXDCCJQFBHAX-VGMNWLOBSA-N 0 0 140.226 1.970 10 0 ADAERN COc1cc(C(F)F)[nH]c(=O)c1O 238354742 573336739 /nfs/dbraw/zinc/33/67/39/573336739.db2.gz TWAPKDBTCZUVFA-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN CC/C=C/[C@@H]1C[C@]1(N)C(=O)OCC 238797811 573336753 /nfs/dbraw/zinc/33/67/53/573336753.db2.gz NELXQBCBPGOSHO-CGVOYPIJSA-N 0 0 183.251 1.233 10 0 ADAERN CCc1ccnc(CCC(=O)OC)n1 259089298 573336762 /nfs/dbraw/zinc/33/67/62/573336762.db2.gz MUDBBEZNYWVVPJ-UHFFFAOYSA-N 0 0 194.234 1.145 10 0 ADAERN Cc1cccc2c1C[C@@H]([C@@H](C)O)O2 258007212 573336783 /nfs/dbraw/zinc/33/67/83/573336783.db2.gz CKJNKKIOTXCEKF-KCJUWKMLSA-N 0 0 178.231 1.679 10 0 ADAERN Cc1nc2cc(Cl)ccn2c1CO 74376749 573336789 /nfs/dbraw/zinc/33/67/89/573336789.db2.gz QQWKFEVOGWWXJO-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN OC[C@@H]1CCO[C@@H]1c1ccsc1 86251025 573336811 /nfs/dbraw/zinc/33/68/11/573336811.db2.gz HVYDBPYHQPXRMD-CBAPKCEASA-N 0 0 184.260 1.818 10 0 ADAERN COc1cc(F)cc2oncc12 238354671 573336834 /nfs/dbraw/zinc/33/68/34/573336834.db2.gz GNXYNZNMLMHIBO-UHFFFAOYSA-N 0 0 167.139 1.976 10 0 ADAERN Clc1nncc(C2CCC2)n1 258633286 573336837 /nfs/dbraw/zinc/33/68/37/573336837.db2.gz YACJWRBIVHKCTN-UHFFFAOYSA-N 0 0 169.615 1.793 10 0 ADAERN FC(F)(F)CNC[C@H]1CCC=CO1 50267088 573336848 /nfs/dbraw/zinc/33/68/48/573336848.db2.gz KRRCWDMCAIWTBR-SSDOTTSWSA-N 0 0 195.184 1.831 10 0 ADAERN OC[C@H]1CCO[C@@H]1c1ccsc1 86251029 573336855 /nfs/dbraw/zinc/33/68/55/573336855.db2.gz HVYDBPYHQPXRMD-APPZFPTMSA-N 0 0 184.260 1.818 10 0 ADAERN NC(=S)NCCCC(F)(F)F 124139489 573336860 /nfs/dbraw/zinc/33/68/60/573336860.db2.gz NNJWWOBTZDMOGJ-UHFFFAOYSA-N 0 0 186.202 1.162 10 0 ADAERN CCOc1ccccc1N[C@H](C)CO 308560708 573336871 /nfs/dbraw/zinc/33/68/71/573336871.db2.gz VXGBYXWYXZCNGC-SECBINFHSA-N 0 0 195.262 1.878 10 0 ADAERN COc1ccc(F)n2nccc12 238354888 573336910 /nfs/dbraw/zinc/33/69/10/573336910.db2.gz PNLLOOQSESUGPP-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN Cc1ncc([C@@H]2CCOC2)c(Cl)n1 258633545 573336913 /nfs/dbraw/zinc/33/69/13/573336913.db2.gz VQXAGLULLQSESO-SSDOTTSWSA-N 0 0 198.653 1.942 10 0 ADAERN COc1cc(C(F)F)nc(N)c1F 238354247 573336936 /nfs/dbraw/zinc/33/69/36/573336936.db2.gz PNJUIDGAQMDUPZ-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CNc1ncc(OC(C)C)cn1 238355413 573336965 /nfs/dbraw/zinc/33/69/65/573336965.db2.gz ULIWZPOAHQNMNT-UHFFFAOYSA-N 0 0 167.212 1.306 10 0 ADAERN CCO[C@@H]1C[C@@H]1CNCC(F)F 689946581 573337011 /nfs/dbraw/zinc/33/70/11/573337011.db2.gz FCZVBGNCUUAIOA-RNFRBKRXSA-N 0 0 179.210 1.266 10 0 ADAERN Cc1cc(NC(N)=S)ccc1O 117417622 573337012 /nfs/dbraw/zinc/33/70/12/573337012.db2.gz YOXOVVPFWRYVET-UHFFFAOYSA-N 0 0 182.248 1.356 10 0 ADAERN O=C1NCCOc2cc(F)cc(F)c21 117445851 573337025 /nfs/dbraw/zinc/33/70/25/573337025.db2.gz PVMDYPHDSOVFQL-UHFFFAOYSA-N 0 0 199.156 1.087 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)SC 86294003 573356615 /nfs/dbraw/zinc/35/66/15/573356615.db2.gz NINHDXWGJVAFNJ-WDSKDSINSA-N 0 0 162.254 1.547 10 0 ADAERN CCn1nccc1[C@H]1CCC(=O)[C@@H]1C 83001680 573356617 /nfs/dbraw/zinc/35/66/17/573356617.db2.gz BIWYVWGLLMDJDG-BDAKNGLRSA-N 0 0 192.262 1.986 10 0 ADAERN COc1ccc(C)c(CCON)c1 258009979 573356621 /nfs/dbraw/zinc/35/66/21/573356621.db2.gz MVQLUFBKHBASGG-UHFFFAOYSA-N 0 0 181.235 1.436 10 0 ADAERN CCSC(=O)c1c(N)cnn1CC 258009662 573356627 /nfs/dbraw/zinc/35/66/27/573356627.db2.gz AURFSLJVPOAKPE-UHFFFAOYSA-N 0 0 199.279 1.379 10 0 ADAERN CC[S@@](=O)[C@H]1CCC(=O)[C@@H]1C 83002918 573356628 /nfs/dbraw/zinc/35/66/28/573356628.db2.gz WIGJKQQXOLLZCZ-RASWFIQWSA-N 0 0 174.265 1.123 10 0 ADAERN C[C@@H](CCO)Cc1nccs1 238367947 573356637 /nfs/dbraw/zinc/35/66/37/573356637.db2.gz ZREJYJVRIUOVQJ-ZETCQYMHSA-N 0 0 171.265 1.704 10 0 ADAERN CC[C@H](C)C[C@](O)(CC)CO 132884648 573356638 /nfs/dbraw/zinc/35/66/38/573356638.db2.gz CIHQKHHDAVXOTB-DTWKUNHWSA-N 0 0 160.257 1.556 10 0 ADAERN CCc1ccc2c(N)n[nH]c2n1 107120126 573356647 /nfs/dbraw/zinc/35/66/47/573356647.db2.gz OQOMNVNRZUJKHG-UHFFFAOYSA-N 0 0 162.196 1.103 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1Sc1nc[nH]n1 83000498 573356652 /nfs/dbraw/zinc/35/66/52/573356652.db2.gz IFWXFDUOIRCBBA-CAHLUQPWSA-N 0 0 197.263 1.264 10 0 ADAERN CO[C@@H]1Cc2ccccc2CO1 238368250 573356653 /nfs/dbraw/zinc/35/66/53/573356653.db2.gz UVTWLRZDTPIBAM-JTQLQIEISA-N 0 0 164.204 1.732 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1cnccn1 83002418 573356664 /nfs/dbraw/zinc/35/66/64/573356664.db2.gz PLZCOSISOJXERB-YUMQZZPRSA-N 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OIZKJMXIWSMBOT-UHFFFAOYSA-N 0 0 183.182 1.734 10 0 ADAERN CONCc1ccc(CSC)o1 132952467 573356759 /nfs/dbraw/zinc/35/67/59/573356759.db2.gz JDZDFLAJTQKUSJ-UHFFFAOYSA-N 0 0 187.264 1.794 10 0 ADAERN CCc1cc(CNO)ccc1F 258010051 573356769 /nfs/dbraw/zinc/35/67/69/573356769.db2.gz MZBDFFGVSURKFJ-UHFFFAOYSA-N 0 0 169.199 1.867 10 0 ADAERN COc1cccc(SCCO)c1N 129678820 573356775 /nfs/dbraw/zinc/35/67/75/573356775.db2.gz HEZVWFLSBMOWKS-UHFFFAOYSA-N 0 0 199.275 1.362 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1cccnc1N 83002445 573356782 /nfs/dbraw/zinc/35/67/82/573356782.db2.gz QBTVASYHRFZTIE-YUMQZZPRSA-N 0 0 190.246 1.746 10 0 ADAERN CO[C@@H]1C[C@@H]2CCC(=O)[C@@H]21 238366849 573356785 /nfs/dbraw/zinc/35/67/85/573356785.db2.gz CVSOPTMQXAIZAX-UIISKDMLSA-N 0 0 140.182 1.000 10 0 ADAERN COc1cccc2c1[C@@H]([C@@H](C)O)CN2 258010094 573356788 /nfs/dbraw/zinc/35/67/88/573356788.db2.gz IYPDVNFMJXGJCH-HTQZYQBOSA-N 0 0 193.246 1.585 10 0 ADAERN CC(C)[C@@]1(O)CCS[C@H]1C 107119898 573356796 /nfs/dbraw/zinc/35/67/96/573356796.db2.gz ZQGPHBWZXPRJSE-YUMQZZPRSA-N 0 0 160.282 1.899 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1cnn(C)c1 83001726 573356800 /nfs/dbraw/zinc/35/68/00/573356800.db2.gz FTPNMIAXRLVXIP-CBAPKCEASA-N 0 0 178.235 1.503 10 0 ADAERN Cc1ncn(CC(=O)C(C)C)c1C 86276948 573356804 /nfs/dbraw/zinc/35/68/04/573356804.db2.gz IEFKYWUZYMQYQJ-UHFFFAOYSA-N 0 0 180.251 1.725 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1Sc1nc[nH]n1 83000501 573356119 /nfs/dbraw/zinc/35/61/19/573356119.db2.gz IFWXFDUOIRCBBA-VDTYLAMSSA-N 0 0 197.263 1.264 10 0 ADAERN COc1ccn2c(N)cnc2c1Cl 238368358 573356127 /nfs/dbraw/zinc/35/61/27/573356127.db2.gz SQHWTNOBYWMRES-UHFFFAOYSA-N 0 0 197.625 1.579 10 0 ADAERN CC[C@H](C)C[C@@](O)(CC)CO 132884223 573356140 /nfs/dbraw/zinc/35/61/40/573356140.db2.gz CIHQKHHDAVXOTB-IUCAKERBSA-N 0 0 160.257 1.556 10 0 ADAERN CS[C@H]1CCC(=O)[C@@H]1C 83000582 573356142 /nfs/dbraw/zinc/35/61/42/573356142.db2.gz WAPMLVWRVPHVJT-FSPLSTOPSA-N 0 0 144.239 1.717 10 0 ADAERN CC[C@@H](C)N(CCO)c1nccn1C 308561129 573356166 /nfs/dbraw/zinc/35/61/66/573356166.db2.gz XJUYLAZTGXKYCR-SECBINFHSA-N 0 0 197.282 1.017 10 0 ADAERN C[C@]1(CO)CCCC[C@@H]1F 258637788 573356172 /nfs/dbraw/zinc/35/61/72/573356172.db2.gz YMULCAQFTLQDLJ-JGVFFNPUSA-N 0 0 146.205 1.897 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1SCCO 83000456 573356180 /nfs/dbraw/zinc/35/61/80/573356180.db2.gz ZWFBGHLGCWJANF-XPUUQOCRSA-N 0 0 174.265 1.080 10 0 ADAERN CC1(C)C[C@H](F)CC(=O)N1 258635743 573356185 /nfs/dbraw/zinc/35/61/85/573356185.db2.gz YHQPKVZCGLRHCM-RXMQYKEDSA-N 0 0 145.177 1.013 10 0 ADAERN Cc1c(Cl)nc(C=O)n1C 107119277 573356213 /nfs/dbraw/zinc/35/62/13/573356213.db2.gz DGVKSAHMVLPPRT-UHFFFAOYSA-N 0 0 158.588 1.194 10 0 ADAERN Cc1n[nH]c2ccc([C@@H](C)O)cc12 258009917 573356215 /nfs/dbraw/zinc/35/62/15/573356215.db2.gz MTOVNAIXSFBSPL-SSDOTTSWSA-N 0 0 176.219 1.925 10 0 ADAERN CCCCOc1cccnc1C[NH3+] 129693774 573356216 /nfs/dbraw/zinc/35/62/16/573356216.db2.gz NFZNWXRFOCMASL-UHFFFAOYSA-N 0 0 180.251 1.719 10 0 ADAERN COc1ccc2c(C)c[nH]c(=O)c2c1 238368179 573356220 /nfs/dbraw/zinc/35/62/20/573356220.db2.gz NVVOUDUAFNPOEG-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN COCC[C@H](O)CC1CC1 82999823 573356225 /nfs/dbraw/zinc/35/62/25/573356225.db2.gz SYMWMJYFUYZCPO-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN O[C@H](CC1CC1)C1CC1 82999808 573356243 /nfs/dbraw/zinc/35/62/43/573356243.db2.gz FFSVPBOKQJWXIU-MRVPVSSYSA-N 0 0 126.199 1.557 10 0 ADAERN O[C@H](CC1CC1)c1ncccn1 82999813 573356257 /nfs/dbraw/zinc/35/62/57/573356257.db2.gz SGCUWFKDPSPEDN-MRVPVSSYSA-N 0 0 164.208 1.310 10 0 ADAERN COc1cc(N)c2c(c1)CCC2=O 238367493 573356262 /nfs/dbraw/zinc/35/62/62/573356262.db2.gz XRZOVIJQZHSSBS-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN CCOc1cccc([C@@H](O)CO)c1 132849039 573356271 /nfs/dbraw/zinc/35/62/71/573356271.db2.gz GHBUDTREQJUFBD-JTQLQIEISA-N 0 0 182.219 1.111 10 0 ADAERN COC1=C(CO)CCCC1 238367877 573356275 /nfs/dbraw/zinc/35/62/75/573356275.db2.gz LOBKJYFTORTOCL-UHFFFAOYSA-N 0 0 142.198 1.453 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1SCCO 83000454 573356284 /nfs/dbraw/zinc/35/62/84/573356284.db2.gz ZWFBGHLGCWJANF-POYBYMJQSA-N 0 0 174.265 1.080 10 0 ADAERN CC(C)[C@@H](O)CC1CC1 82999791 573356301 /nfs/dbraw/zinc/35/63/01/573356301.db2.gz KTUFQGPKOWLMQV-QMMMGPOBSA-N 0 0 128.215 1.803 10 0 ADAERN O=C(CC1CC1)[C@H]1C[C@H]2CC[C@@H]1O2 82999747 573356327 /nfs/dbraw/zinc/35/63/27/573356327.db2.gz SQWGGVMMRUCXTD-KKZNHRDASA-N 0 0 180.247 1.923 10 0 ADAERN CC(C)[S@](=O)[C@H]1CCC(=O)[C@H]1C 83003044 573356331 /nfs/dbraw/zinc/35/63/31/573356331.db2.gz ZRVBUIAYGXXCIA-VFWDIBGWSA-N 0 0 188.292 1.511 10 0 ADAERN COC1=C(C)CC[C@@H](CO)C1 238367032 573356338 /nfs/dbraw/zinc/35/63/38/573356338.db2.gz SMOFJUONFZYJLD-MRVPVSSYSA-N 0 0 156.225 1.699 10 0 ADAERN COC(=O)CC(C)(C)F 211680473 573356342 /nfs/dbraw/zinc/35/63/42/573356342.db2.gz QYMBOAWVZDIPES-UHFFFAOYSA-N 0 0 134.150 1.298 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1cccnc1N 83002443 573356354 /nfs/dbraw/zinc/35/63/54/573356354.db2.gz QBTVASYHRFZTIE-SFYZADRCSA-N 0 0 190.246 1.746 10 0 ADAERN CON[C@H](C)CC(C)(C)OC 132963239 573356373 /nfs/dbraw/zinc/35/63/73/573356373.db2.gz VXDHNJFAGWZUNM-SSDOTTSWSA-N 0 0 161.245 1.341 10 0 ADAERN OC/C=C\Cc1ccc(F)cc1 220041083 573356380 /nfs/dbraw/zinc/35/63/80/573356380.db2.gz RNPOEJKHFKMTQM-UPHRSURJSA-N 0 0 166.195 1.917 10 0 ADAERN O[C@@H](CC1CC1)c1cccnc1 82999777 573356385 /nfs/dbraw/zinc/35/63/85/573356385.db2.gz KCPVMIKQKJJYLR-JTQLQIEISA-N 0 0 163.220 1.915 10 0 ADAERN COC1=C(C)CC[C@H](CO)C1 238367055 573356388 /nfs/dbraw/zinc/35/63/88/573356388.db2.gz SMOFJUONFZYJLD-QMMMGPOBSA-N 0 0 156.225 1.699 10 0 ADAERN CCC(C)(C)O[C@@H]1C[C@@H](O)[C@@H]1OC 132869502 573356398 /nfs/dbraw/zinc/35/63/98/573356398.db2.gz SADIIGANSQIYSX-HLTSFMKQSA-N 0 0 188.267 1.340 10 0 ADAERN COc1c(C)ccn2nccc12 238366927 573356402 /nfs/dbraw/zinc/35/64/02/573356402.db2.gz CAXPGKHUKCPRTK-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN Nc1ccc2c(c1)OCCCN2 107120341 573356409 /nfs/dbraw/zinc/35/64/09/573356409.db2.gz SHUURIJVYHHOQW-UHFFFAOYSA-N 0 0 164.208 1.463 10 0 ADAERN CCn1nccc1[C@@H]1CCC(=O)[C@@H]1C 83001679 573356410 /nfs/dbraw/zinc/35/64/10/573356410.db2.gz BIWYVWGLLMDJDG-RKDXNWHRSA-N 0 0 192.262 1.986 10 0 ADAERN C[C@@H](C[NH2+]C1CCCC1)CC(=O)[O-] 129691112 573356411 /nfs/dbraw/zinc/35/64/11/573356411.db2.gz MSQGBKPRLPDWJC-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H](C[NH2+]CCCC(=O)[O-])C1CC1 132859289 573356417 /nfs/dbraw/zinc/35/64/17/573356417.db2.gz OZUQOIZUOUTYDF-MRVPVSSYSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1ccn(CC(=O)C(C)C)n1 86276982 573356419 /nfs/dbraw/zinc/35/64/19/573356419.db2.gz UIFKHOWFTUKBLK-UHFFFAOYSA-N 0 0 166.224 1.417 10 0 ADAERN C[C@]1(C2CCCC2)OC[C@@H](CO)O1 258010758 573356436 /nfs/dbraw/zinc/35/64/36/573356436.db2.gz ABYQDKMQWJWLTG-ZJUUUORDSA-N 0 0 186.251 1.301 10 0 ADAERN CC(C)CC[C@](C)(O)c1cn(C)nn1 308561911 573356471 /nfs/dbraw/zinc/35/64/71/573356471.db2.gz FSKKADBXNFMYCA-JTQLQIEISA-N 0 0 197.282 1.459 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1SCCO 83000457 573356482 /nfs/dbraw/zinc/35/64/82/573356482.db2.gz ZWFBGHLGCWJANF-SVRRBLITSA-N 0 0 174.265 1.080 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1nccn1C 83001849 573356515 /nfs/dbraw/zinc/35/65/15/573356515.db2.gz KIZCIZSZCUPZMC-SFYZADRCSA-N 0 0 178.235 1.503 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1c1ccnn1C 83001840 573356523 /nfs/dbraw/zinc/35/65/23/573356523.db2.gz VZSFRTBAGSBCQG-JGVFFNPUSA-N 0 0 178.235 1.503 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1c1cnn(C)c1 83001724 573356525 /nfs/dbraw/zinc/35/65/25/573356525.db2.gz FTPNMIAXRLVXIP-IONNQARKSA-N 0 0 178.235 1.503 10 0 ADAERN CC[C@@H](C)[S@@](=O)CC(=O)C(C)C 86277580 573356608 /nfs/dbraw/zinc/35/66/08/573356608.db2.gz IZRFHBZGQLTSQC-PRHODGIISA-N 0 0 190.308 1.759 10 0 ADAERN CCC[C@H](CO)C1COC1 258638281 573361307 /nfs/dbraw/zinc/36/13/07/573361307.db2.gz RVMJVEGUHHWMTC-SSDOTTSWSA-N 0 0 144.214 1.041 10 0 ADAERN COC[C@H](CO)c1ccc(C)s1 258298518 573361311 /nfs/dbraw/zinc/36/13/11/573361311.db2.gz WHNKPJHZDKYAPV-QMMMGPOBSA-N 0 0 186.276 1.779 10 0 ADAERN CC(C)N[C@H](CF)C(F)(F)F 107124134 573361313 /nfs/dbraw/zinc/36/13/13/573361313.db2.gz HQQAZGGWAZRDOB-RXMQYKEDSA-N 0 0 173.153 1.885 10 0 ADAERN COCCc1nc2n(n1)CC[C@@H](C)C2 258300177 573361323 /nfs/dbraw/zinc/36/13/23/573361323.db2.gz JJQJEUBMXDUGSL-MRVPVSSYSA-N 0 0 195.266 1.049 10 0 ADAERN C[C@@H](CO)C12CCC(C)(CC1)O2 238369102 573361343 /nfs/dbraw/zinc/36/13/43/573361343.db2.gz NXEIGUMTZKRRMT-IDKOKCKLSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1ccc2c(c1C[C@@H](C)O)CCO2 258011235 573361346 /nfs/dbraw/zinc/36/13/46/573361346.db2.gz HHUFTSGVYZBKHM-SECBINFHSA-N 0 0 192.258 1.853 10 0 ADAERN CSCNC(=O)C(C)(C)C 238368446 573361359 /nfs/dbraw/zinc/36/13/59/573361359.db2.gz VJNJKCJBYZEBJL-UHFFFAOYSA-N 0 0 161.270 1.469 10 0 ADAERN C[C@@]1(CO)OCc2ccccc2O1 258300538 573361364 /nfs/dbraw/zinc/36/13/64/573361364.db2.gz SLNKOVLTMIKNNB-SNVBAGLBSA-N 0 0 180.203 1.304 10 0 ADAERN CN1CC(O)(C2CCCCC2)C1 107122366 573361396 /nfs/dbraw/zinc/36/13/96/573361396.db2.gz GKZJTVUWHPAJFM-UHFFFAOYSA-N 0 0 169.268 1.243 10 0 ADAERN COc1ccn2cncc2c1F 238369017 573361400 /nfs/dbraw/zinc/36/14/00/573361400.db2.gz QQXKZZQHDKVHRA-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[NH+]1CCCCCC1 86305833 573361409 /nfs/dbraw/zinc/36/14/09/573361409.db2.gz TUCYBNKFTQNXJE-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN O=C1CC[C@@H]2CCSC[C@@H]2N1 107123354 573361414 /nfs/dbraw/zinc/36/14/14/573361414.db2.gz XLGYWNAKCKFPJG-RQJHMYQMSA-N 0 0 171.265 1.018 10 0 ADAERN CSCNC(=O)c1ccncc1 238368562 573361420 /nfs/dbraw/zinc/36/14/20/573361420.db2.gz PFFLSCVWCYVEDI-UHFFFAOYSA-N 0 0 182.248 1.132 10 0 ADAERN CCCN(CCC)C(=O)NCOC 74626840 573361428 /nfs/dbraw/zinc/36/14/28/573361428.db2.gz UACFXCBFFXZKBG-UHFFFAOYSA-N 0 0 188.271 1.422 10 0 ADAERN NC(=O)Cn1ccc2cccc(F)c21 117758993 573361438 /nfs/dbraw/zinc/36/14/38/573361438.db2.gz VWNUFOGSDBAQQS-UHFFFAOYSA-N 0 0 192.193 1.266 10 0 ADAERN Cc1nc(CC(C)C)c(C=O)o1 107121185 573361449 /nfs/dbraw/zinc/36/14/49/573361449.db2.gz UXXJNESRUUKYNT-UHFFFAOYSA-N 0 0 167.208 1.994 10 0 ADAERN Nc1cc(F)c2c(c1)CCO2 117684938 573361460 /nfs/dbraw/zinc/36/14/60/573361460.db2.gz XKYALHDRWZSMHL-UHFFFAOYSA-N 0 0 153.156 1.343 10 0 ADAERN C[C@@H](O)c1c[nH]c2c(O)cccc12 258007364 573361464 /nfs/dbraw/zinc/36/14/64/573361464.db2.gz CMVGTAPBHRXYCF-ZCFIWIBFSA-N 0 0 177.203 1.927 10 0 ADAERN CC1(C)CC[C@@H]2NC(=O)C[C@H]2C1 107121408 573361472 /nfs/dbraw/zinc/36/14/72/573361472.db2.gz QDXQJTPZUWDBMA-YUMQZZPRSA-N 0 0 167.252 1.701 10 0 ADAERN CCc1ccccc1CNOC 132973463 573360816 /nfs/dbraw/zinc/36/08/16/573360816.db2.gz KPNHBCNIXDTWPX-UHFFFAOYSA-N 0 0 165.236 1.900 10 0 ADAERN Cc1cc(O)c(C)c(C=O)c1 117697108 573360839 /nfs/dbraw/zinc/36/08/39/573360839.db2.gz IQZOZSLFXFATLY-UHFFFAOYSA-N 0 0 150.177 1.822 10 0 ADAERN O=Cc1occ2c1CCSC2 107121628 573360840 /nfs/dbraw/zinc/36/08/40/573360840.db2.gz ZOBFKSJIRBHTTM-UHFFFAOYSA-N 0 0 168.217 1.881 10 0 ADAERN COc1cc(N)cc2c1CCCN2 238368838 573360843 /nfs/dbraw/zinc/36/08/43/573360843.db2.gz WVYVWTCGUBVSOL-UHFFFAOYSA-N 0 0 178.235 1.636 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[NH+]1CCCCC1 86305877 573360848 /nfs/dbraw/zinc/36/08/48/573360848.db2.gz JWHJYWYKRCFXHC-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN COC[C@@H](CO)c1ccc(C)s1 258298515 573360851 /nfs/dbraw/zinc/36/08/51/573360851.db2.gz WHNKPJHZDKYAPV-MRVPVSSYSA-N 0 0 186.276 1.779 10 0 ADAERN CCC[C@@H](CO)C1COC1 258638283 573360880 /nfs/dbraw/zinc/36/08/80/573360880.db2.gz RVMJVEGUHHWMTC-ZETCQYMHSA-N 0 0 144.214 1.041 10 0 ADAERN CSCNC(=O)c1cccnc1 238368539 573360884 /nfs/dbraw/zinc/36/08/84/573360884.db2.gz RDBULJKYPNEJIL-UHFFFAOYSA-N 0 0 182.248 1.132 10 0 ADAERN CC1(C[C@H](NN)c2cnsc2)CC1 404776908 573360916 /nfs/dbraw/zinc/36/09/16/573360916.db2.gz DKVPGLSUTYLQEH-QMMMGPOBSA-N 0 0 197.307 1.838 10 0 ADAERN C[C@H](Nc1nnc(N)o1)C1CCCC1 235572853 573360940 /nfs/dbraw/zinc/36/09/40/573360940.db2.gz JUHFPURMWIRCPL-LURJTMIESA-N 0 0 196.254 1.642 10 0 ADAERN CO[C@H]1C[C@](C)(Cl)CCO1 238369553 573360961 /nfs/dbraw/zinc/36/09/61/573360961.db2.gz YMKSXLTXQKYIGS-RNFRBKRXSA-N 0 0 164.632 1.767 10 0 ADAERN CCCc1nnc2c(OC)cccn12 258007430 573360977 /nfs/dbraw/zinc/36/09/77/573360977.db2.gz BKKHGRJJKMHLOR-UHFFFAOYSA-N 0 0 191.234 1.690 10 0 ADAERN COc1ccc2c(c1)CC[C@@]2(C)CO 238369516 573360983 /nfs/dbraw/zinc/36/09/83/573360983.db2.gz VMOKHYKRDYUAFY-LBPRGKRZSA-N 0 0 192.258 1.891 10 0 ADAERN CC[C@H](CNc1ncc[nH]c1=O)OC 308562154 573360986 /nfs/dbraw/zinc/36/09/86/573360986.db2.gz FXBBDFRKXYWPTO-SSDOTTSWSA-N 0 0 197.238 1.019 10 0 ADAERN CCCCCNC(=O)NCOC 74626830 573361006 /nfs/dbraw/zinc/36/10/06/573361006.db2.gz FXMNGYUPVWTVCE-UHFFFAOYSA-N 0 0 174.244 1.080 10 0 ADAERN c1ccc2c(c1)C[C@@H]1CN21 39077926 573361019 /nfs/dbraw/zinc/36/10/19/573361019.db2.gz OUJRXJSHQNMWOI-HNHGDDPOSA-N 0 0 131.178 1.431 10 0 ADAERN COc1cc(C)c(N)cc1NC(C)=O 238369137 573361103 /nfs/dbraw/zinc/36/11/03/573361103.db2.gz FPKXEHZQTHKODX-UHFFFAOYSA-N 0 0 194.234 1.544 10 0 ADAERN CCC[C@H](O)COc1ccc(O)cc1 258011062 573361153 /nfs/dbraw/zinc/36/11/53/573361153.db2.gz FKVZHWVUWKOYJF-JTQLQIEISA-N 0 0 196.246 1.932 10 0 ADAERN CSC[C@H](CO)c1cccnc1 258296467 573361172 /nfs/dbraw/zinc/36/11/72/573361172.db2.gz WDSOXHABMOGGDB-VIFPVBQESA-N 0 0 183.276 1.521 10 0 ADAERN CSc1cc(C=O)cc2c1OCO2 238368584 573361174 /nfs/dbraw/zinc/36/11/74/573361174.db2.gz AHHJVMIOMQMVEU-UHFFFAOYSA-N 0 0 196.227 1.950 10 0 ADAERN CSC[C@H](CO)c1cccc(O)c1 258311544 573361179 /nfs/dbraw/zinc/36/11/79/573361179.db2.gz XDQOBYRIXCDUPV-VIFPVBQESA-N 0 0 198.287 1.831 10 0 ADAERN C[C@H](O)c1c[nH]c2cc(O)ccc12 258007351 573361191 /nfs/dbraw/zinc/36/11/91/573361191.db2.gz CMSIDUMEIYADRH-LURJTMIESA-N 0 0 177.203 1.927 10 0 ADAERN Cn1ccc(C[C@@H](O)C2(C)CC2)n1 124184287 573361205 /nfs/dbraw/zinc/36/12/05/573361205.db2.gz CMOMDXFLBRUEJT-SECBINFHSA-N 0 0 180.251 1.124 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258297966 573361212 /nfs/dbraw/zinc/36/12/12/573361212.db2.gz ULQSRZSSYAFSIL-CBAPKCEASA-N 0 0 171.240 1.095 10 0 ADAERN CC(C)c1ncc(O)c(C=O)n1 107120713 573361213 /nfs/dbraw/zinc/36/12/13/573361213.db2.gz QTSWNVOFTZCTIR-UHFFFAOYSA-N 0 0 166.180 1.118 10 0 ADAERN CC(=O)NC/C=C\C1CC1 393627724 573361230 /nfs/dbraw/zinc/36/12/30/573361230.db2.gz YWXKRHFBTJTYTI-IHWYPQMZSA-N 0 0 139.198 1.089 10 0 ADAERN CCCOC(=O)Nc1n[nH]cc1CC 308562351 573361258 /nfs/dbraw/zinc/36/12/58/573361258.db2.gz WUBOTSWBYITOSJ-UHFFFAOYSA-N 0 0 197.238 1.931 10 0 ADAERN O=[S@](CCF)Cc1ccccc1 198900583 573361273 /nfs/dbraw/zinc/36/12/73/573361273.db2.gz JTAGUJGCWZAAJY-GFCCVEGCSA-N 0 0 186.251 1.905 10 0 ADAERN O=C1COCCc2ccsc21 107121626 573361279 /nfs/dbraw/zinc/36/12/79/573361279.db2.gz YIIRVGMJYHWYJB-UHFFFAOYSA-N 0 0 168.217 1.504 10 0 ADAERN CCCNC(=O)Cc1oc(C)nc1C 74645839 573363701 /nfs/dbraw/zinc/36/37/01/573363701.db2.gz FQPAQSQKVFXIHS-UHFFFAOYSA-N 0 0 196.250 1.360 10 0 ADAERN C/C=C(/C)C(=O)O[C@H]1C[C@@H](OC)C1 308368302 573363719 /nfs/dbraw/zinc/36/37/19/573363719.db2.gz PBAZMVJKFJDXDE-SZGWWTLYSA-N 0 0 184.235 1.673 10 0 ADAERN COc1nc(C(F)F)c(N)cc1C 238361784 573363721 /nfs/dbraw/zinc/36/37/21/573363721.db2.gz XYHWUUXIKLZESF-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN COC1(OC)C[C@H](C)C(=O)[C@@H]1C 238362322 573363731 /nfs/dbraw/zinc/36/37/31/573363731.db2.gz YFTYXUWTVJDFMC-BQBZGAKWSA-N 0 0 172.224 1.221 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@H]1c1cccnc1N 83036413 573363735 /nfs/dbraw/zinc/36/37/35/573363735.db2.gz HCQKWZKPSGRTTN-XKSSXDPKSA-N 0 0 192.262 1.538 10 0 ADAERN COc1cncc([C@H](O)[C@@H](C)OC)c1 124205621 573363744 /nfs/dbraw/zinc/36/37/44/573363744.db2.gz CLVSHIFWBNZGIQ-GMSGAONNSA-N 0 0 197.234 1.159 10 0 ADAERN COC[C@H](CO)Cc1ccco1 258316334 573363750 /nfs/dbraw/zinc/36/37/50/573363750.db2.gz PBRGTXRPXQASSO-QMMMGPOBSA-N 0 0 170.208 1.077 10 0 ADAERN Cc1nc(COC(C)C)c[nH]1 258312796 573363758 /nfs/dbraw/zinc/36/37/58/573363758.db2.gz VXIQMMISOXXGQQ-UHFFFAOYSA-N 0 0 154.213 1.643 10 0 ADAERN CCOCC[C@H](NN)c1ccoc1 132991464 573363760 /nfs/dbraw/zinc/36/37/60/573363760.db2.gz IJXDMGRXUHKSKB-VIFPVBQESA-N 0 0 184.239 1.211 10 0 ADAERN CCC(CC)[C@H](NN)c1cncnc1 129719411 573363761 /nfs/dbraw/zinc/36/37/61/573363761.db2.gz CKVZFIBKEGCSCO-JTQLQIEISA-N 0 0 194.282 1.417 10 0 ADAERN CC(C)[C@H](CO)C(=O)c1cccnc1 259090192 573363765 /nfs/dbraw/zinc/36/37/65/573363765.db2.gz IZMNCAPECACGDG-JTQLQIEISA-N 0 0 193.246 1.529 10 0 ADAERN CNc1onc(C)c1-c1cc(C)no1 238361847 573363788 /nfs/dbraw/zinc/36/37/88/573363788.db2.gz NWVYUYURNFRGTN-UHFFFAOYSA-N 0 0 193.206 1.988 10 0 ADAERN COc1nc(C(F)F)c(O)cc1F 238362370 573363066 /nfs/dbraw/zinc/36/30/66/573363066.db2.gz VJZYIIGCVXDYRQ-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CC(C)n1cc([C@H](O)CC2CC2)nn1 308562408 573363074 /nfs/dbraw/zinc/36/30/74/573363074.db2.gz YGAZLJVYCDLBEA-SNVBAGLBSA-N 0 0 195.266 1.693 10 0 ADAERN CCC(CC)[C@@H](NN)c1cncnc1 129719617 573363091 /nfs/dbraw/zinc/36/30/91/573363091.db2.gz CKVZFIBKEGCSCO-SNVBAGLBSA-N 0 0 194.282 1.417 10 0 ADAERN CCCC1([C@H](O)c2cnn(C)n2)CC1 308562931 573363092 /nfs/dbraw/zinc/36/30/92/573363092.db2.gz GHLJMIKMLLUJFC-SECBINFHSA-N 0 0 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Nc1ccc(-c2cnc(N)nc2)cc1 107131752 573368719 /nfs/dbraw/zinc/36/87/19/573368719.db2.gz QMALXUXQOKCSRB-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Fc1ccc([C@H]2CCNO2)cc1 258639770 573368739 /nfs/dbraw/zinc/36/87/39/573368739.db2.gz YQIQFUDJSAHKHN-SECBINFHSA-N 0 0 167.183 1.792 10 0 ADAERN CSc1ccc2c(c1)[C@@H](O)CO2 238380214 573368783 /nfs/dbraw/zinc/36/87/83/573368783.db2.gz COOLKMYCLRUCNI-QMMMGPOBSA-N 0 0 182.244 1.834 10 0 ADAERN CC(=O)Nc1cc(C=O)c(F)cc1C 214788319 573368806 /nfs/dbraw/zinc/36/88/06/573368806.db2.gz SJXKZIWNVWRIGV-UHFFFAOYSA-N 0 0 195.193 1.905 10 0 ADAERN CC(C)c1ncoc1C(=O)NC1CC1 74681519 573368814 /nfs/dbraw/zinc/36/88/14/573368814.db2.gz AUCOJRIEUGICNX-UHFFFAOYSA-N 0 0 194.234 1.690 10 0 ADAERN COCCNc1noc(C2CC2)n1 308373974 573368848 /nfs/dbraw/zinc/36/88/48/573368848.db2.gz RHDWNHBZTNVEHW-UHFFFAOYSA-N 0 0 183.211 1.005 10 0 ADAERN COC[C@@H](C)CC(=O)c1cn(C)cn1 308564235 573368865 /nfs/dbraw/zinc/36/88/65/573368865.db2.gz XRAFACMLOPKQKG-QMMMGPOBSA-N 0 0 196.250 1.275 10 0 ADAERN Cc1ccc2c(c1CNO)OCCO2 258008772 573369727 /nfs/dbraw/zinc/36/97/27/573369727.db2.gz HFCYGDGAZBMSIZ-UHFFFAOYSA-N 0 0 195.218 1.245 10 0 ADAERN O=C1CCC(=O)C12CCCCC2 117786163 573369728 /nfs/dbraw/zinc/36/97/28/573369728.db2.gz QMNFMSMVFOZHBM-UHFFFAOYSA-N 0 0 166.220 1.869 10 0 ADAERN C[C@@H](O)/C=C/C[C@@H]1CCCCO1 238380192 573369741 /nfs/dbraw/zinc/36/97/41/573369741.db2.gz ORUYQPUNGDQEDV-CFUOYWMPSA-N 0 0 170.252 1.883 10 0 ADAERN C[C@@H](CCO)[C@]1(O)CC=CCC1 238369857 573369771 /nfs/dbraw/zinc/36/97/71/573369771.db2.gz XZEKWGMIPPHOPO-UWVGGRQHSA-N 0 0 170.252 1.476 10 0 ADAERN CNOCCCc1ccccc1OC 258008329 573369799 /nfs/dbraw/zinc/36/97/99/573369799.db2.gz QUEHGILMDFGOFI-UHFFFAOYSA-N 0 0 195.262 1.779 10 0 ADAERN F[C@@]1(Cc2cnco2)CCC[NH2+]C1 107130140 573369804 /nfs/dbraw/zinc/36/98/04/573369804.db2.gz MPQBHHWGVSLUOP-SECBINFHSA-N 0 0 184.214 1.309 10 0 ADAERN Cc1ccccc1-n1cnc(CN)n1 107133426 573369846 /nfs/dbraw/zinc/36/98/46/573369846.db2.gz JPPKGJGSWBZBST-UHFFFAOYSA-N 0 0 188.234 1.034 10 0 ADAERN CON(C)C(=O)N(C)CC(C)(C)C 308370103 573369850 /nfs/dbraw/zinc/36/98/50/573369850.db2.gz PXEOTTCWBYLZGP-UHFFFAOYSA-N 0 0 188.271 1.578 10 0 ADAERN CCCOCC[C@H](NN)c1ccco1 133049365 573369864 /nfs/dbraw/zinc/36/98/64/573369864.db2.gz WWNQNHXSKLVQAP-VIFPVBQESA-N 0 0 198.266 1.601 10 0 ADAERN C/C=C(\CC)C[N@@H+]1CCC[C@@H]1C(=O)[O-] 308366398 573369885 /nfs/dbraw/zinc/36/98/85/573369885.db2.gz LSWZSXREKJNDFU-OTVCUZDGSA-N 0 0 197.278 1.892 10 0 ADAERN CC=C1CCOCC1 117768622 573369895 /nfs/dbraw/zinc/36/98/95/573369895.db2.gz CHHRZBYYDKQUJV-UHFFFAOYSA-N 0 0 112.172 1.743 10 0 ADAERN CCn1nc(C(=O)NC(C)C)cc1C 74663692 573369907 /nfs/dbraw/zinc/36/99/07/573369907.db2.gz QKYILMMALZTSRY-UHFFFAOYSA-N 0 0 195.266 1.350 10 0 ADAERN CC[C@@H](CO)C1(C(C)C)COC1 258492892 573369098 /nfs/dbraw/zinc/36/90/98/573369098.db2.gz CXFZIGYDRAGFJV-VIFPVBQESA-N 0 0 172.268 1.678 10 0 ADAERN Nc1nc2c(s1)CCC[C@@H]2CO 117851474 573369108 /nfs/dbraw/zinc/36/91/08/573369108.db2.gz CMKMQAYGTUPDRW-RXMQYKEDSA-N 0 0 184.264 1.138 10 0 ADAERN O=C1C[C@@H](c2cc(Cl)cs2)N1 86334742 573369116 /nfs/dbraw/zinc/36/91/16/573369116.db2.gz HHYQMORRDSDJAJ-YFKPBYRVSA-N 0 0 187.651 1.963 10 0 ADAERN COc1ccc2c(CO)[nH]cc2c1 238370056 573369121 /nfs/dbraw/zinc/36/91/21/573369121.db2.gz OKGTVIUVSIFLDJ-UHFFFAOYSA-N 0 0 177.203 1.669 10 0 ADAERN Cc1nc(-c2ccc[nH]2)sc1CO 259090298 573369128 /nfs/dbraw/zinc/36/91/28/573369128.db2.gz JBBJZXUNRGBDJS-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN CCON[C@@H](C)CC(C)(C)OC 133047798 573369158 /nfs/dbraw/zinc/36/91/58/573369158.db2.gz VZFDSKGUIIVURX-QMMMGPOBSA-N 0 0 175.272 1.731 10 0 ADAERN O=C1CCC(=O)[C@@H](c2ccccc2)N1 107133872 573369181 /nfs/dbraw/zinc/36/91/81/573369181.db2.gz XGFLANSKAALFPL-LLVKDONJSA-N 0 0 189.214 1.207 10 0 ADAERN C[N@H+](CCCC(=O)[O-])[C@H]1CCC1(C)C 308563424 573369185 /nfs/dbraw/zinc/36/91/85/573369185.db2.gz YTTHNAXLGLPWNP-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN Cn1cc(CON)c2c(F)cccc21 258324812 573369216 /nfs/dbraw/zinc/36/92/16/573369216.db2.gz WQQIQUHDCPQJSU-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN CC[C@H](C)C[C@H](NN)c1cncnc1 129775998 573369217 /nfs/dbraw/zinc/36/92/17/573369217.db2.gz WAFZVVLWDRERNP-WPRPVWTQSA-N 0 0 194.282 1.417 10 0 ADAERN CO[C@@]1(C)OC(=S)NC1(C)C 238380263 573369219 /nfs/dbraw/zinc/36/92/19/573369219.db2.gz FDRBYNCCIBTUDC-ZETCQYMHSA-N 0 0 175.253 1.032 10 0 ADAERN CCCc1c(N)noc1CC 86326082 573369241 /nfs/dbraw/zinc/36/92/41/573369241.db2.gz DLOIALKAUFWXKK-UHFFFAOYSA-N 0 0 154.213 1.772 10 0 ADAERN O=C1CCC[C@H]2C(=O)CC[C@H]12 214788851 573369242 /nfs/dbraw/zinc/36/92/42/573369242.db2.gz HKZYCARSPJWAFK-RQJHMYQMSA-N 0 0 152.193 1.335 10 0 ADAERN CSCC[C@H](NN)c1ccco1 133054577 573369258 /nfs/dbraw/zinc/36/92/58/573369258.db2.gz KSAWRLFBOJHATL-ZETCQYMHSA-N 0 0 186.280 1.537 10 0 ADAERN C[C@]1(CO)CCc2cc(O)ccc2N1 258324863 573369267 /nfs/dbraw/zinc/36/92/67/573369267.db2.gz WRSYWJXFYBQWRT-LLVKDONJSA-N 0 0 193.246 1.501 10 0 ADAERN COCCCN1CCC(=O)C1(C)C 259428391 573369296 /nfs/dbraw/zinc/36/92/96/573369296.db2.gz NTPAPEWGHZYMGP-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN CC(C)CON[C@@H]1CCCOC1 133103003 573369301 /nfs/dbraw/zinc/36/93/01/573369301.db2.gz REOZHYGTHYMISD-SECBINFHSA-N 0 0 173.256 1.343 10 0 ADAERN C[C@@H]1CC[C@@H](NC#N)[C@@H]1C 83044571 573369305 /nfs/dbraw/zinc/36/93/05/573369305.db2.gz BZRISJJZZCKERZ-BWZBUEFSSA-N 0 0 138.214 1.492 10 0 ADAERN COc1ccc(O)c([S@](C)=O)c1 238380163 573369327 /nfs/dbraw/zinc/36/93/27/573369327.db2.gz ZXEUVLWTDDODLD-LBPRGKRZSA-N 0 0 186.232 1.138 10 0 ADAERN CCON[C@H](C)Cc1ccco1 133051288 573369331 /nfs/dbraw/zinc/36/93/31/573369331.db2.gz AHJVLZVLJTWNSV-MRVPVSSYSA-N 0 0 169.224 1.752 10 0 ADAERN CC(=O)O[C@H]1CC[C@@H](C)CC1=O 214760281 573369349 /nfs/dbraw/zinc/36/93/49/573369349.db2.gz QCDAVMQZRBWDDO-MUWHJKNJSA-N 0 0 170.208 1.307 10 0 ADAERN COCCC(=O)c1cccnc1OC 308564512 573369353 /nfs/dbraw/zinc/36/93/53/573369353.db2.gz ZMCUQVMIIMFXAP-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H]1C)C(=O)[O-] 83044329 573369383 /nfs/dbraw/zinc/36/93/83/573369383.db2.gz ZHDPNSPSOJQLLP-UYXSQOIJSA-N 0 0 185.267 1.484 10 0 ADAERN CCCCN(C)C(=O)Cc1cocn1 74686713 573369385 /nfs/dbraw/zinc/36/93/85/573369385.db2.gz GBDGSTWEILNJGH-UHFFFAOYSA-N 0 0 196.250 1.476 10 0 ADAERN COc1c(C)nc2cnccn12 238370262 573369421 /nfs/dbraw/zinc/36/94/21/573369421.db2.gz SVMQWAJCXDNUMB-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN O[C@H]1CCCc2nc(C3CCC3)nn21 258326953 573369442 /nfs/dbraw/zinc/36/94/42/573369442.db2.gz KKQQDTJPUWGTAS-VIFPVBQESA-N 0 0 193.250 1.373 10 0 ADAERN Cn1cc(-c2ccsc2)nc1C=O 117846835 573369444 /nfs/dbraw/zinc/36/94/44/573369444.db2.gz IGIABCNNNMNBHC-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN CCC[C@@H]([NH2+]CCC(F)F)C(=O)[O-] 308370055 573369456 /nfs/dbraw/zinc/36/94/56/573369456.db2.gz KHIBVUVOFDFRRP-ZCFIWIBFSA-N 0 0 195.209 1.485 10 0 ADAERN CC1=C[C@H](O)[C@@H]([C@@H](C)CCO)CC1 238370134 573369512 /nfs/dbraw/zinc/36/95/12/573369512.db2.gz VSCFZVMHPNJVPJ-AXFHLTTASA-N 0 0 184.279 1.722 10 0 ADAERN Cc1cc(O)cc(C2(O)CC2)c1F 258008643 573369534 /nfs/dbraw/zinc/36/95/34/573369534.db2.gz HDVGYCBQPQOZML-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN COC[C@H](C)CC(=O)c1cn(C)cn1 308564234 573369555 /nfs/dbraw/zinc/36/95/55/573369555.db2.gz XRAFACMLOPKQKG-MRVPVSSYSA-N 0 0 196.250 1.275 10 0 ADAERN Cc1ccsc1C(=O)N1CCCN1 307088223 573369564 /nfs/dbraw/zinc/36/95/64/573369564.db2.gz MICMJXUZSVAESZ-UHFFFAOYSA-N 0 0 196.275 1.407 10 0 ADAERN CC(C)[C@H](O)/C=C/Br 117829350 573369576 /nfs/dbraw/zinc/36/95/76/573369576.db2.gz FWNNEZPGPVOOBS-FCJGRKLLSA-N 0 0 179.057 1.912 10 0 ADAERN NC(=S)C1CCSCC1 117848313 573369584 /nfs/dbraw/zinc/36/95/84/573369584.db2.gz VICALZDUURJIJK-UHFFFAOYSA-N 0 0 161.295 1.416 10 0 ADAERN CC(C)CCNC(=O)Cc1cocn1 74686709 573369596 /nfs/dbraw/zinc/36/95/96/573369596.db2.gz WYXMYOSSWKMXFY-UHFFFAOYSA-N 0 0 196.250 1.379 10 0 ADAERN COCC[C@@H](C)NOCC(C)C 133102569 573369611 /nfs/dbraw/zinc/36/96/11/573369611.db2.gz ZJSQYJGMNGWTQL-SECBINFHSA-N 0 0 175.272 1.589 10 0 ADAERN c1nocc1OC1CC1 258321963 573369622 /nfs/dbraw/zinc/36/96/22/573369622.db2.gz DITTUTMOIANPGW-UHFFFAOYSA-N 0 0 125.127 1.216 10 0 ADAERN C[N@@H+]1CCCC[C@@](F)(CC(=O)[O-])C1 107133903 573369646 /nfs/dbraw/zinc/36/96/46/573369646.db2.gz BDVDWDXXTDJDRS-SECBINFHSA-N 0 0 189.230 1.285 10 0 ADAERN Cc1c[nH]c(=O)c2cc(O)ccc12 258320791 573369647 /nfs/dbraw/zinc/36/96/47/573369647.db2.gz UKHIANWIEVIIKN-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN CC(C)CONCc1ccco1 133109955 573369650 /nfs/dbraw/zinc/36/96/50/573369650.db2.gz DUTXARLHCCQUKP-UHFFFAOYSA-N 0 0 169.224 1.957 10 0 ADAERN C[C@@H](CO)CCC1=CCCO1 238370164 573369657 /nfs/dbraw/zinc/36/96/57/573369657.db2.gz IWRRGFKMHJJWPW-MRVPVSSYSA-N 0 0 156.225 1.699 10 0 ADAERN C[C@@H](O)c1cn(C)c2cccc(O)c12 258008365 573369667 /nfs/dbraw/zinc/36/96/67/573369667.db2.gz XMAXJVHBTZAVKN-SSDOTTSWSA-N 0 0 191.230 1.937 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH2+]C)C1CCCC1 259430540 573369679 /nfs/dbraw/zinc/36/96/79/573369679.db2.gz ZDEIIGMWZKEGNW-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN O=C1NC[C@H]2CNc3ccccc3N12 107133883 573369696 /nfs/dbraw/zinc/36/96/96/573369696.db2.gz YBPKUDPTDWHBJX-SSDOTTSWSA-N 0 0 189.218 1.010 10 0 ADAERN CSc1ccc2c(c1)[C@H](O)CO2 238380161 573369703 /nfs/dbraw/zinc/36/97/03/573369703.db2.gz COOLKMYCLRUCNI-MRVPVSSYSA-N 0 0 182.244 1.834 10 0 ADAERN CC[C@H](C)[C@H](O)c1cn(C(C)C)nn1 308564260 573369706 /nfs/dbraw/zinc/36/97/06/573369706.db2.gz ZFVUJANNUATJSL-WPRPVWTQSA-N 0 0 197.282 1.939 10 0 ADAERN CCCCN(C)C(=O)c1cnoc1C 74667558 573369709 /nfs/dbraw/zinc/36/97/09/573369709.db2.gz IYZZJKOFHMFQNA-UHFFFAOYSA-N 0 0 196.250 1.855 10 0 ADAERN O=C(CCc1ccc[nH]1)N1CCCC1 74682120 573369716 /nfs/dbraw/zinc/36/97/16/573369716.db2.gz QGJPHHRNPWVHHR-UHFFFAOYSA-N 0 0 192.262 1.570 10 0 ADAERN CC[C@H](C1CC1)n1nccc1N 83056967 573381250 /nfs/dbraw/zinc/38/12/50/573381250.db2.gz UQIDDNYDNNVZKQ-MRVPVSSYSA-N 0 0 165.240 1.826 10 0 ADAERN CC[C@H](C[C@@H](C)O)C(C)=O 86353692 573381260 /nfs/dbraw/zinc/38/12/60/573381260.db2.gz WCLKSWZHKXNRRJ-HTRCEHHLSA-N 0 0 144.214 1.373 10 0 ADAERN C[C@H]1CCCCCN1c1nnc(N)o1 235577548 573381273 /nfs/dbraw/zinc/38/12/73/573381273.db2.gz IVUYPUOMMRRWGM-ZETCQYMHSA-N 0 0 196.254 1.421 10 0 ADAERN CC[C@H](C(C)=O)[C@@H]1CCC[C@@H]1O 86353732 573381276 /nfs/dbraw/zinc/38/12/76/573381276.db2.gz ACNDZHYZHVFTQJ-UTLUCORTSA-N 0 0 170.252 1.763 10 0 ADAERN CC[C@@](O)(c1cncnc1)C1CC1 83058408 573381279 /nfs/dbraw/zinc/38/12/79/573381279.db2.gz HDEOLNHEJAVUPM-JTQLQIEISA-N 0 0 178.235 1.484 10 0 ADAERN O=C1CCC[C@H]1C[C@H](O)C(F)(F)F 86353985 573381280 /nfs/dbraw/zinc/38/12/80/573381280.db2.gz LNBXZZVHDJWNEU-FSPLSTOPSA-N 0 0 196.168 1.669 10 0 ADAERN CCC(C(=O)OC)=C([O-])c1cc[nH]c1 259099890 573381292 /nfs/dbraw/zinc/38/12/92/573381292.db2.gz JYJNMRLZGZNIPF-QMMMGPOBSA-N 0 0 195.218 1.397 10 0 ADAERN CC(=O)[C@@H](C)C1CCOCC1 86353471 573381297 /nfs/dbraw/zinc/38/12/97/573381297.db2.gz LOSYEYDTCPUSBW-SSDOTTSWSA-N 0 0 156.225 1.638 10 0 ADAERN COC[C@H](C)[C@@H](C)C(C)=O 86353306 573381325 /nfs/dbraw/zinc/38/13/25/573381325.db2.gz UHCUDONLLZJQLC-NKWVEPMBSA-N 0 0 144.214 1.494 10 0 ADAERN CC(=O)[C@H](C)[C@H]1CCC[C@@H]1O 86353378 573380601 /nfs/dbraw/zinc/38/06/01/573380601.db2.gz RWFMBVKWUSJXEQ-ZQARSLAVSA-N 0 0 156.225 1.373 10 0 ADAERN CC[C@](O)(c1cncnc1)C1CC1 83058410 573380605 /nfs/dbraw/zinc/38/06/05/573380605.db2.gz HDEOLNHEJAVUPM-SNVBAGLBSA-N 0 0 178.235 1.484 10 0 ADAERN COC[C@@H](C)[C@@H](C)C(C)=O 86353308 573380614 /nfs/dbraw/zinc/38/06/14/573380614.db2.gz UHCUDONLLZJQLC-RNFRBKRXSA-N 0 0 144.214 1.494 10 0 ADAERN COCCON[C@H]1CS[C@@H](C)C1 133151428 573380624 /nfs/dbraw/zinc/38/06/24/573380624.db2.gz CRWXHZUGPCDTEI-JGVFFNPUSA-N 0 0 191.296 1.048 10 0 ADAERN COC1=CC=C[C@H](O)CC1 238374033 573380626 /nfs/dbraw/zinc/38/06/26/573380626.db2.gz KSACVDINIBBAFP-ZETCQYMHSA-N 0 0 140.182 1.228 10 0 ADAERN COC(=O)Cc1nscc1C 259610252 573380637 /nfs/dbraw/zinc/38/06/37/573380637.db2.gz DVGHSBIDYKWXLX-UHFFFAOYSA-N 0 0 171.221 1.167 10 0 ADAERN CC/C(=C1/CC(=O)NC1=O)C1CC1 83059267 573380646 /nfs/dbraw/zinc/38/06/46/573380646.db2.gz YRUOZLRGZWJQLB-BQYQJAHWSA-N 0 0 179.219 1.150 10 0 ADAERN COc1cnc2c(c1)NCCCC2=O 238372499 573380650 /nfs/dbraw/zinc/38/06/50/573380650.db2.gz AWOHQMDYGIDUMA-UHFFFAOYSA-N 0 0 192.218 1.479 10 0 ADAERN COC1=CC(C)(C)CC[C@H]1O 238373216 573380657 /nfs/dbraw/zinc/38/06/57/573380657.db2.gz PFYSTQYQYHFBAY-SSDOTTSWSA-N 0 0 156.225 1.698 10 0 ADAERN COCCCNOCC(C)C 133166401 573380668 /nfs/dbraw/zinc/38/06/68/573380668.db2.gz QJVQLHUVNANSDV-UHFFFAOYSA-N 0 0 161.245 1.200 10 0 ADAERN CC(C)C(=O)CC[C@@H](C)O 86353109 573380689 /nfs/dbraw/zinc/38/06/89/573380689.db2.gz MNRNBHGRJQPNFC-SSDOTTSWSA-N 0 0 144.214 1.373 10 0 ADAERN CC(C)(O)CC[C@H]1CCCC1=O 86354109 573380702 /nfs/dbraw/zinc/38/07/02/573380702.db2.gz OTNYOMYKHQBEME-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN CNOCCCc1ccc(F)cc1 258011286 573380704 /nfs/dbraw/zinc/38/07/04/573380704.db2.gz QYGLLLUCGOZSAG-UHFFFAOYSA-N 0 0 183.226 1.909 10 0 ADAERN CC(C)C(=O)C[C@@H]1CCC[C@@H]1O 86353129 573380718 /nfs/dbraw/zinc/38/07/18/573380718.db2.gz ZMIKGGRPELZQKD-IUCAKERBSA-N 0 0 170.252 1.763 10 0 ADAERN CO[C@H]1C(=O)N[C@H]1c1ccccc1F 238372432 573380746 /nfs/dbraw/zinc/38/07/46/573380746.db2.gz OSRKSZQUJIECFA-DTWKUNHWSA-N 0 0 195.193 1.012 10 0 ADAERN Cn1cncc1C[NH2+]CCC(F)F 308377898 573380767 /nfs/dbraw/zinc/38/07/67/573380767.db2.gz OSMCKBRPRNCSNY-UHFFFAOYSA-N 0 0 189.209 1.165 10 0 ADAERN CC[C@H](O)C[C@H](CC)C(C)=O 86353908 573380768 /nfs/dbraw/zinc/38/07/68/573380768.db2.gz MAIKWWXXIZVSEO-IUCAKERBSA-N 0 0 158.241 1.763 10 0 ADAERN COc1cnc2c(c1)C(=O)CCS2 238373290 573380769 /nfs/dbraw/zinc/38/07/69/573380769.db2.gz NYXAWQWDSGOWPF-UHFFFAOYSA-N 0 0 195.243 1.769 10 0 ADAERN COCCONCc1ccsc1 133146363 573380785 /nfs/dbraw/zinc/38/07/85/573380785.db2.gz JLGRHTVFPVFAME-UHFFFAOYSA-N 0 0 187.264 1.416 10 0 ADAERN O=C1CCCC[C@H]1Cc1ncccn1 86354311 573380796 /nfs/dbraw/zinc/38/07/96/573380796.db2.gz MIYJDXVBDSYQOQ-VIFPVBQESA-N 0 0 190.246 1.778 10 0 ADAERN CONC(=O)[C@@H](C)Cc1cccs1 308378198 573380797 /nfs/dbraw/zinc/38/07/97/573380797.db2.gz TWFBZFKURRSNGK-ZETCQYMHSA-N 0 0 199.275 1.604 10 0 ADAERN O=C(NC1CCCC1)c1ccno1 74713492 573380804 /nfs/dbraw/zinc/38/08/04/573380804.db2.gz ZCNFSFPKJCQEAT-UHFFFAOYSA-N 0 0 180.207 1.347 10 0 ADAERN CC(=O)[C@H](C)[C@@H]1CCOC1 86353274 573380806 /nfs/dbraw/zinc/38/08/06/573380806.db2.gz GTKAMPONAYKWBG-POYBYMJQSA-N 0 0 142.198 1.248 10 0 ADAERN CCOCc1noc([C@H]2C[C@H]2C)n1 393585304 573380822 /nfs/dbraw/zinc/38/08/22/573380822.db2.gz QIOHARGSSPVARV-RQJHMYQMSA-N 0 0 182.223 1.730 10 0 ADAERN COc1ccc(NC(N)=S)c(O)c1 238372919 573380832 /nfs/dbraw/zinc/38/08/32/573380832.db2.gz KUOVZDZBDUZAEX-UHFFFAOYSA-N 0 0 198.247 1.056 10 0 ADAERN CCCCOC(=O)[C@H](C)NCC1CC1 308566668 573380837 /nfs/dbraw/zinc/38/08/37/573380837.db2.gz AWASPJAYLFFRQW-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H]1C(=O)Nc2ccccc2C1=O 205720866 573380840 /nfs/dbraw/zinc/38/08/40/573380840.db2.gz FWXMNRBUPWKVAX-ZCFIWIBFSA-N 0 0 175.187 1.458 10 0 ADAERN CC(C)C(=O)CCC(C)(C)O 86353183 573380855 /nfs/dbraw/zinc/38/08/55/573380855.db2.gz ICRRJDQBQDSLFK-UHFFFAOYSA-N 0 0 158.241 1.763 10 0 ADAERN CC(=O)[C@@H](C)CC(F)F 86353432 573380863 /nfs/dbraw/zinc/38/08/63/573380863.db2.gz SMZQZVFVNAAIOD-BYPYZUCNSA-N 0 0 136.141 1.867 10 0 ADAERN CNc1ncc(C)c(C2CC2)n1 83058786 573380874 /nfs/dbraw/zinc/38/08/74/573380874.db2.gz YBUSXEXZYOKVOZ-UHFFFAOYSA-N 0 0 163.224 1.704 10 0 ADAERN CCCNC(=O)CCc1cccn1C 74732138 573380888 /nfs/dbraw/zinc/38/08/88/573380888.db2.gz MZZWNDWLVBFAFG-UHFFFAOYSA-N 0 0 194.278 1.484 10 0 ADAERN COc1c(C=O)cncc1C(F)F 238373463 573380910 /nfs/dbraw/zinc/38/09/10/573380910.db2.gz RPVIKMOXQLDYEG-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN C/C=C\CCNC(=O)COC(C)(C)C 308377849 573380919 /nfs/dbraw/zinc/38/09/19/573380919.db2.gz COFCRWJMJXMXFC-WAYWQWQTSA-N 0 0 199.294 1.884 10 0 ADAERN CN1CC(O)(c2ccc(F)cc2F)C1 107142081 573380922 /nfs/dbraw/zinc/38/09/22/573380922.db2.gz FWUSODKRSZXIEP-UHFFFAOYSA-N 0 0 199.200 1.098 10 0 ADAERN O=C1CCC[C@H]1[C@H]1CCCC[C@@H]1O 86354048 573380924 /nfs/dbraw/zinc/38/09/24/573380924.db2.gz PAVJGYWYEOGARA-UTLUCORTSA-N 0 0 182.263 1.907 10 0 ADAERN C[C@@H](CO)N(O)Cc1ccccc1 238373040 573380926 /nfs/dbraw/zinc/38/09/26/573380926.db2.gz OEHNQXVGIZJRMJ-VIFPVBQESA-N 0 0 181.235 1.259 10 0 ADAERN CC[C@@H](O)C[C@@H]1CCCC1=O 86354130 573380958 /nfs/dbraw/zinc/38/09/58/573380958.db2.gz JKODLEZROPNDJN-JGVFFNPUSA-N 0 0 156.225 1.517 10 0 ADAERN CC(C)C(=O)C[C@H]1CCC[C@@H]1O 86353131 573380964 /nfs/dbraw/zinc/38/09/64/573380964.db2.gz ZMIKGGRPELZQKD-BDAKNGLRSA-N 0 0 170.252 1.763 10 0 ADAERN CCCC[C@@H](C)NOCCOC 133138795 573380968 /nfs/dbraw/zinc/38/09/68/573380968.db2.gz LOUDJHXARYNMNK-SECBINFHSA-N 0 0 175.272 1.733 10 0 ADAERN OCCNc1ccc(C2CCC2)nn1 259093848 573380973 /nfs/dbraw/zinc/38/09/73/573380973.db2.gz ACUAFLUDRAVXNP-UHFFFAOYSA-N 0 0 193.250 1.148 10 0 ADAERN CC[C@H](C)NC(=O)Cc1ccccn1 74723656 573381000 /nfs/dbraw/zinc/38/10/00/573381000.db2.gz VQUJBDSEZMNTCC-VIFPVBQESA-N 0 0 192.262 1.539 10 0 ADAERN COc1ccccc1[C@H](O)C1(O)CC1 238373153 573381002 /nfs/dbraw/zinc/38/10/02/573381002.db2.gz JSTBOAAPNACGMQ-JTQLQIEISA-N 0 0 194.230 1.254 10 0 ADAERN C[NH2+]C1CN(c2ccc(F)cc2)C1 259099940 573381007 /nfs/dbraw/zinc/38/10/07/573381007.db2.gz FKADIIFGWSYRSD-UHFFFAOYSA-N 0 0 180.226 1.234 10 0 ADAERN O=C1c2ccccc2C[C@H]1CCCO 86354455 573381011 /nfs/dbraw/zinc/38/10/11/573381011.db2.gz QXPHGRJZLXZNAJ-SNVBAGLBSA-N 0 0 190.242 1.814 10 0 ADAERN [NH3+]Cc1sc(C2CCCC2)nc1[O-] 107141526 573381019 /nfs/dbraw/zinc/38/10/19/573381019.db2.gz XFHMMWAKCHXELM-UHFFFAOYSA-N 0 0 198.291 1.965 10 0 ADAERN CCCC[C@@H](CC)[C@@H](O)CCO 78410517 573381028 /nfs/dbraw/zinc/38/10/28/573381028.db2.gz PSLQXKVLHHZPLW-ZJUUUORDSA-N 0 0 174.284 1.946 10 0 ADAERN O=C1CCC[C@@H]1C[C@@H]1CCOC1 86354060 573381034 /nfs/dbraw/zinc/38/10/34/573381034.db2.gz VYLCJTALNHAWHK-DTWKUNHWSA-N 0 0 168.236 1.782 10 0 ADAERN CC[C@H](C)NC(=O)c1ccno1 74713490 573381040 /nfs/dbraw/zinc/38/10/40/573381040.db2.gz SRXPOKDHPILEGX-LURJTMIESA-N 0 0 168.196 1.203 10 0 ADAERN CONC(=O)[C@H](C)Cc1cccs1 308378196 573381077 /nfs/dbraw/zinc/38/10/77/573381077.db2.gz TWFBZFKURRSNGK-SSDOTTSWSA-N 0 0 199.275 1.604 10 0 ADAERN Cc1nonc1C[C@@H]1CCCCC1=O 86354301 573381112 /nfs/dbraw/zinc/38/11/12/573381112.db2.gz WMELRADAVBDFAZ-QMMMGPOBSA-N 0 0 194.234 1.680 10 0 ADAERN CCOC(=O)/C=C(\C)c1cnccn1 308378085 573381117 /nfs/dbraw/zinc/38/11/17/573381117.db2.gz FVMWVYFYCIUZHM-SOFGYWHQSA-N 0 0 192.218 1.443 10 0 ADAERN CC[C@]1(C2CC2)C[C@H](O)CCO1 83059180 573381124 /nfs/dbraw/zinc/38/11/24/573381124.db2.gz UAXNCEPBGLASJS-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN CCOCc1noc([C@@H]2C[C@@H]2C)n1 393585303 573381125 /nfs/dbraw/zinc/38/11/25/573381125.db2.gz QIOHARGSSPVARV-NKWVEPMBSA-N 0 0 182.223 1.730 10 0 ADAERN [NH3+][C@@H](/C=C/C(=O)[O-])C1CCCCC1 259433048 573381128 /nfs/dbraw/zinc/38/11/28/573381128.db2.gz NFEJZKNXKGSSJV-UCUJLANTSA-N 0 0 183.251 1.535 10 0 ADAERN CC[C@@H](O)C[C@@H]1CCCCC1=O 86354328 573381152 /nfs/dbraw/zinc/38/11/52/573381152.db2.gz ZQHHIAAQAGFDKW-DTWKUNHWSA-N 0 0 170.252 1.907 10 0 ADAERN CC[C@@H](C(C)=O)[C@H]1CCOC1 86353638 573381157 /nfs/dbraw/zinc/38/11/57/573381157.db2.gz SCYVZWJSIHMMBV-IUCAKERBSA-N 0 0 156.225 1.638 10 0 ADAERN O=C1c2ccccc2C[C@@H]1CCO 86354361 573381165 /nfs/dbraw/zinc/38/11/65/573381165.db2.gz FDTARDPDZZUCFA-VIFPVBQESA-N 0 0 176.215 1.424 10 0 ADAERN CC=CC(=O)Nc1cc(CCC)[nH]n1 308377762 573381166 /nfs/dbraw/zinc/38/11/66/573381166.db2.gz CCNXSEQKJPEVNP-XQRVVYSFSA-N 0 0 193.250 1.877 10 0 ADAERN CC(C)C(=O)CC[C@H](C)O 86353111 573381182 /nfs/dbraw/zinc/38/11/82/573381182.db2.gz MNRNBHGRJQPNFC-ZETCQYMHSA-N 0 0 144.214 1.373 10 0 ADAERN CCOC(=O)CN[C@@H]1CC12CCCC2 308567322 573381184 /nfs/dbraw/zinc/38/11/84/573381184.db2.gz BAVHGDXJNLVQCW-SECBINFHSA-N 0 0 197.278 1.472 10 0 ADAERN O=C1CCC[C@H]1C[C@H]1CCOC1 86354066 573381227 /nfs/dbraw/zinc/38/12/27/573381227.db2.gz VYLCJTALNHAWHK-BDAKNGLRSA-N 0 0 168.236 1.782 10 0 ADAERN COc1cc(F)cc(/C=C\CO)c1 308377743 573381228 /nfs/dbraw/zinc/38/12/28/573381228.db2.gz PAXXFXBUVAKYFP-IHWYPQMZSA-N 0 0 182.194 1.840 10 0 ADAERN O=C1CCC[C@H]1C[C@@H]1CCOC1 86354062 573381232 /nfs/dbraw/zinc/38/12/32/573381232.db2.gz VYLCJTALNHAWHK-IUCAKERBSA-N 0 0 168.236 1.782 10 0 ADAERN O=C(NC[C@@H]1CC1(F)F)C1CC1 717383598 573381237 /nfs/dbraw/zinc/38/12/37/573381237.db2.gz ABERCLHBWMNIJM-LURJTMIESA-N 0 0 175.178 1.168 10 0 ADAERN COc1ccc2cc(N)cnc2n1 238374710 573382484 /nfs/dbraw/zinc/38/24/84/573382484.db2.gz RBIWUTUJQVQUHZ-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN CC[C@@H](O)C[C@H](C)C(C)=O 86353571 573382486 /nfs/dbraw/zinc/38/24/86/573382486.db2.gz UGEBUVLNVNNGTQ-POYBYMJQSA-N 0 0 144.214 1.373 10 0 ADAERN CC[C@@]1(C)CS1 118065908 573382505 /nfs/dbraw/zinc/38/25/05/573382505.db2.gz XIVQIMJXNTVZJM-YFKPBYRVSA-N 0 0 102.202 1.902 10 0 ADAERN CC(C)C[NH2+][C@]1(C(=O)[O-])C[C@H](C)[C@H]1C 308567525 573382507 /nfs/dbraw/zinc/38/25/07/573382507.db2.gz INTKTAJGCZSXPR-IQJOONFLSA-N 0 0 199.294 1.731 10 0 ADAERN CC(=O)[C@H](C)CC(F)F 86353434 573382521 /nfs/dbraw/zinc/38/25/21/573382521.db2.gz SMZQZVFVNAAIOD-SCSAIBSYSA-N 0 0 136.141 1.867 10 0 ADAERN Cc1sc(=NN)[nH]c1C1CC1 83057103 573382536 /nfs/dbraw/zinc/38/25/36/573382536.db2.gz MVFVXHLJVFPYOJ-UHFFFAOYSA-N 0 0 169.253 1.615 10 0 ADAERN CC[C@H](C(C)=O)[C@@H]1CCOC1 86353632 573382549 /nfs/dbraw/zinc/38/25/49/573382549.db2.gz SCYVZWJSIHMMBV-RKDXNWHRSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@@H](CC(C)(C)O)C(C)=O 86353832 573382554 /nfs/dbraw/zinc/38/25/54/573382554.db2.gz XOFSYZMYQAJADX-QMMMGPOBSA-N 0 0 158.241 1.763 10 0 ADAERN COC1=CC[C@@H]([C@@H](C)O)CC1 238375466 573381686 /nfs/dbraw/zinc/38/16/86/573381686.db2.gz SOHWSXZWWRNOCO-HTQZYQBOSA-N 0 0 156.225 1.698 10 0 ADAERN CC[C@H](C[C@H](C)O)C(C)=O 86353696 573382572 /nfs/dbraw/zinc/38/25/72/573382572.db2.gz WCLKSWZHKXNRRJ-POYBYMJQSA-N 0 0 144.214 1.373 10 0 ADAERN Cn1ccc(=O)c(O)c1C(F)F 118069499 573381710 /nfs/dbraw/zinc/38/17/10/573381710.db2.gz MPRBHAKGIUAGLP-UHFFFAOYSA-N 0 0 175.134 1.029 10 0 ADAERN C/C=C\CCNC(=O)[C@@H]1OCC[C@@H]1C 308377687 573381715 /nfs/dbraw/zinc/38/17/15/573381715.db2.gz BPYLMOOWUJNKCD-RWCMCFKCSA-N 0 0 197.278 1.494 10 0 ADAERN COc1ccc(C)n2cnnc12 238376067 573381717 /nfs/dbraw/zinc/38/17/17/573381717.db2.gz VLWSETKTVHDNJY-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN CCC(=O)C[C@H]1CCCC[C@@H]1O 86352984 573381722 /nfs/dbraw/zinc/38/17/22/573381722.db2.gz WCYGPNVZQSWWSY-SCZZXKLOSA-N 0 0 170.252 1.907 10 0 ADAERN COc1ccc(C)n2nccc12 238376128 573381725 /nfs/dbraw/zinc/38/17/25/573381725.db2.gz IYPCVAYBSJWHNS-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN CC(C)C(=O)C[C@H]1CCOC1 86353085 573381744 /nfs/dbraw/zinc/38/17/44/573381744.db2.gz ULOLSUWOUGQQEU-MRVPVSSYSA-N 0 0 156.225 1.638 10 0 ADAERN CCCCCOC(=O)[C@H](C)[C@H](C)O 78410085 573381750 /nfs/dbraw/zinc/38/17/50/573381750.db2.gz WSALBMVRQUPXNC-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN CCN(CC)C(=O)c1ccc(=O)oc1 74725744 573381770 /nfs/dbraw/zinc/38/17/70/573381770.db2.gz IBUFUGSOKQMONW-UHFFFAOYSA-N 0 0 195.218 1.122 10 0 ADAERN CCC(C)(C)OCCNC(N)=S 308568138 573381771 /nfs/dbraw/zinc/38/17/71/573381771.db2.gz ADGAYYVZCRHTLB-UHFFFAOYSA-N 0 0 190.312 1.025 10 0 ADAERN CCOC[C@H](O)C[C@H](CC)C(C)=O 86353892 573381774 /nfs/dbraw/zinc/38/17/74/573381774.db2.gz PRQHQQKZTHXIHC-VHSXEESVSA-N 0 0 188.267 1.389 10 0 ADAERN O=C1CCC[C@@H]1CCCO 86354080 573381778 /nfs/dbraw/zinc/38/17/78/573381778.db2.gz KVTOWUGXUNBIQR-SSDOTTSWSA-N 0 0 142.198 1.128 10 0 ADAERN Cc1ccc(O[C@@H](C)CO)c(C=O)c1 308566351 573381799 /nfs/dbraw/zinc/38/17/99/573381799.db2.gz YLVWGNZRIADOTI-VIFPVBQESA-N 0 0 194.230 1.567 10 0 ADAERN CCN(CC)C(=O)c1ccno1 74713625 573381800 /nfs/dbraw/zinc/38/18/00/573381800.db2.gz BTKHCVSXAFJKML-UHFFFAOYSA-N 0 0 168.196 1.157 10 0 ADAERN CC(=O)[C@@H](C)CCC(C)(C)O 86353531 573381801 /nfs/dbraw/zinc/38/18/01/573381801.db2.gz ZAXWOUCDLOUJSE-ZETCQYMHSA-N 0 0 158.241 1.763 10 0 ADAERN Cc1ccn2c(C=O)ncc2c1 107159336 573381819 /nfs/dbraw/zinc/38/18/19/573381819.db2.gz DQIDWIKDMRHUHM-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN COc1cc(N)c(O)c(C(F)F)n1 238374849 573381838 /nfs/dbraw/zinc/38/18/38/573381838.db2.gz ZNROQYSIJJSMRL-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CC[C@H](O)C[C@H]1CCCCC1=O 86354330 573381842 /nfs/dbraw/zinc/38/18/42/573381842.db2.gz ZQHHIAAQAGFDKW-BDAKNGLRSA-N 0 0 170.252 1.907 10 0 ADAERN OCc1nc2cnc3ccccc3c2[nH]1 78044458 573381846 /nfs/dbraw/zinc/38/18/46/573381846.db2.gz ZRJGHMWGZTZKGE-UHFFFAOYSA-N 0 0 199.213 1.603 10 0 ADAERN O=C1c2ccccc2C[C@@H]1CCCO 86354453 573381853 /nfs/dbraw/zinc/38/18/53/573381853.db2.gz QXPHGRJZLXZNAJ-JTQLQIEISA-N 0 0 190.242 1.814 10 0 ADAERN O=C1CCCCC[C@@H]1CCCO 86354725 573381862 /nfs/dbraw/zinc/38/18/62/573381862.db2.gz JCPBSZGZNCPHJL-SECBINFHSA-N 0 0 170.252 1.908 10 0 ADAERN COC1=CC[C@H]([C@H](C)O)CC1 238375740 573381863 /nfs/dbraw/zinc/38/18/63/573381863.db2.gz SOHWSXZWWRNOCO-YUMQZZPRSA-N 0 0 156.225 1.698 10 0 ADAERN C[C@@H](O)c1ccc(Cl)cc1N 83053598 573381893 /nfs/dbraw/zinc/38/18/93/573381893.db2.gz BJICKYGWLVUDNS-RXMQYKEDSA-N 0 0 171.627 1.976 10 0 ADAERN CC[C@@H](O)C(=O)NCC(C)(C)CC 308371283 573381896 /nfs/dbraw/zinc/38/18/96/573381896.db2.gz QIUGKOARPPUGOJ-MRVPVSSYSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2ccccc2C1=O 86354403 573381901 /nfs/dbraw/zinc/38/19/01/573381901.db2.gz VYUADIULXMPEKK-SCZZXKLOSA-N 0 0 190.242 1.813 10 0 ADAERN CC[C@H](O)C(=O)NCC(C)(C)CC 308371286 573381906 /nfs/dbraw/zinc/38/19/06/573381906.db2.gz QIUGKOARPPUGOJ-QMMMGPOBSA-N 0 0 187.283 1.310 10 0 ADAERN CC[C@H]1CCC(=O)[C@H](CCO)C1 86355237 573381915 /nfs/dbraw/zinc/38/19/15/573381915.db2.gz INOZLHRLIBBTBG-DTWKUNHWSA-N 0 0 170.252 1.764 10 0 ADAERN C1CC2(C1)CS2 118063337 573381920 /nfs/dbraw/zinc/38/19/20/573381920.db2.gz NURYQHBMSWENET-UHFFFAOYSA-N 0 0 100.186 1.656 10 0 ADAERN CCC(=O)C[C@H]1CCC[C@@H]1O 86352956 573381927 /nfs/dbraw/zinc/38/19/27/573381927.db2.gz AILJEMKXEQUWIF-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN O=C1CCCNc2cccc(O)c21 257799209 573381931 /nfs/dbraw/zinc/38/19/31/573381931.db2.gz JKUBFSRQRULZOT-UHFFFAOYSA-N 0 0 177.203 1.781 10 0 ADAERN CC[C@H](C(C)=O)[C@H]1CCC[C@@H]1O 86353735 573381943 /nfs/dbraw/zinc/38/19/43/573381943.db2.gz ACNDZHYZHVFTQJ-BBBLOLIVSA-N 0 0 170.252 1.763 10 0 ADAERN COC(C)(C)C(=O)O[C@H](C)C1CC1 308371766 573381944 /nfs/dbraw/zinc/38/19/44/573381944.db2.gz QKDUCBBGYHFTJM-SSDOTTSWSA-N 0 0 186.251 1.753 10 0 ADAERN CC(=O)[C@H](C)C1CCOCC1 86353473 573382585 /nfs/dbraw/zinc/38/25/85/573382585.db2.gz LOSYEYDTCPUSBW-ZETCQYMHSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@@H](C[C@@H](C)O)C(C)=O 86353691 573381960 /nfs/dbraw/zinc/38/19/60/573381960.db2.gz WCLKSWZHKXNRRJ-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN CC[C@@H](C1CC1)[C@@H]1CC(=O)NC1=O 83059269 573381963 /nfs/dbraw/zinc/38/19/63/573381963.db2.gz ZUFKTPQFIGKSQW-YUMQZZPRSA-N 0 0 181.235 1.085 10 0 ADAERN CCOC(=O)/C=C(/C)c1cnccn1 308378086 573381969 /nfs/dbraw/zinc/38/19/69/573381969.db2.gz FVMWVYFYCIUZHM-VURMDHGXSA-N 0 0 192.218 1.443 10 0 ADAERN Clc1ncc2oncc2n1 107158538 573381971 /nfs/dbraw/zinc/38/19/71/573381971.db2.gz BMCQMXRPUPGMOE-UHFFFAOYSA-N 0 0 155.544 1.271 10 0 ADAERN CCC(=O)C[C@H]1CCCC[C@H]1O 86352987 573381973 /nfs/dbraw/zinc/38/19/73/573381973.db2.gz WCYGPNVZQSWWSY-PSASIEDQSA-N 0 0 170.252 1.907 10 0 ADAERN COC(=O)c1nc2[nH]cccc-2c1F 238375343 573381975 /nfs/dbraw/zinc/38/19/75/573381975.db2.gz ZDMGJABSRQJOJK-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN CC(C)[C@@H](O)[C@@H](C)CCCO 78043267 573381982 /nfs/dbraw/zinc/38/19/82/573381982.db2.gz LLKBPGJBMCZHHF-DTWKUNHWSA-N 0 0 160.257 1.412 10 0 ADAERN COc1cc(NC[C@H](C)CO)ccn1 133210843 573381987 /nfs/dbraw/zinc/38/19/87/573381987.db2.gz VOQMPUICCCWUPC-QMMMGPOBSA-N 0 0 196.250 1.131 10 0 ADAERN CC(C)CONCCC1CC1 133168470 573381998 /nfs/dbraw/zinc/38/19/98/573381998.db2.gz RMSKVEQNHHAVBZ-UHFFFAOYSA-N 0 0 157.257 1.964 10 0 ADAERN O=C1CCC[C@@H]1C[C@H](O)C(F)(F)F 86353984 573382005 /nfs/dbraw/zinc/38/20/05/573382005.db2.gz LNBXZZVHDJWNEU-VDTYLAMSSA-N 0 0 196.168 1.669 10 0 ADAERN Cc1ccc(C(C)(C)CO)cc1N 259432318 573382011 /nfs/dbraw/zinc/38/20/11/573382011.db2.gz LAJNZAGJUONYSN-UHFFFAOYSA-N 0 0 179.263 1.847 10 0 ADAERN OCC[C@@H](CO)CC1CCCCC1 238653599 573382013 /nfs/dbraw/zinc/38/20/13/573382013.db2.gz PQRWFSVDOINZBT-LLVKDONJSA-N 0 0 186.295 1.948 10 0 ADAERN CC[C@]1(C2CC2)C[NH2+]C[C@H]1C(=O)[O-] 83059167 573382018 /nfs/dbraw/zinc/38/20/18/573382018.db2.gz HQBDTVWCCPFCRS-WCBMZHEXSA-N 0 0 183.251 1.097 10 0 ADAERN CC(=O)[C@@H](C)C[C@H]1CCOC1 86353441 573382064 /nfs/dbraw/zinc/38/20/64/573382064.db2.gz UNKBHEDYCGWEGG-IONNQARKSA-N 0 0 156.225 1.638 10 0 ADAERN CCCC[C@@H](CC)[C@H](O)CCO 78410514 573382070 /nfs/dbraw/zinc/38/20/70/573382070.db2.gz PSLQXKVLHHZPLW-NXEZZACHSA-N 0 0 174.284 1.946 10 0 ADAERN CC[C@@H](O)C[C@@H](C)C(C)=O 86353567 573382077 /nfs/dbraw/zinc/38/20/77/573382077.db2.gz UGEBUVLNVNNGTQ-HTRCEHHLSA-N 0 0 144.214 1.373 10 0 ADAERN CC[C@H](CC(C)(C)O)C(C)=O 86353834 573382084 /nfs/dbraw/zinc/38/20/84/573382084.db2.gz XOFSYZMYQAJADX-MRVPVSSYSA-N 0 0 158.241 1.763 10 0 ADAERN COC1=CCCC[C@@H]1CO 238374668 573382089 /nfs/dbraw/zinc/38/20/89/573382089.db2.gz OHWJWXCITUEHIS-SSDOTTSWSA-N 0 0 142.198 1.309 10 0 ADAERN CCC(=O)C[C@H]1CCC[C@H]1O 86352960 573382091 /nfs/dbraw/zinc/38/20/91/573382091.db2.gz AILJEMKXEQUWIF-VXNVDRBHSA-N 0 0 156.225 1.517 10 0 ADAERN CC(=O)[C@@H](C)Cc1ncccn1 86353519 573382100 /nfs/dbraw/zinc/38/21/00/573382100.db2.gz DISYVYLARDYKRB-ZETCQYMHSA-N 0 0 164.208 1.244 10 0 ADAERN CC(C)(C)NS(=O)(=O)C(C)(C)C 78199019 573382107 /nfs/dbraw/zinc/38/21/07/573382107.db2.gz ATXAIKXSHFZIEL-UHFFFAOYSA-N 0 0 193.312 1.503 10 0 ADAERN CNc1cc(C)c(C2CC2)nn1 83057399 573382125 /nfs/dbraw/zinc/38/21/25/573382125.db2.gz OKBWWGDTSJPCAN-UHFFFAOYSA-N 0 0 163.224 1.704 10 0 ADAERN CONCc1cc(O)c(C)cc1F 258011373 573382132 /nfs/dbraw/zinc/38/21/32/573382132.db2.gz HJQPQHOEAGBKMP-UHFFFAOYSA-N 0 0 185.198 1.491 10 0 ADAERN COC[C@H](CO)c1cccs1 258333311 573382135 /nfs/dbraw/zinc/38/21/35/573382135.db2.gz YSRMFLQQYCZFEX-ZETCQYMHSA-N 0 0 172.249 1.470 10 0 ADAERN CC[C@H](O)C[C@H]1CCCC1=O 86354132 573382136 /nfs/dbraw/zinc/38/21/36/573382136.db2.gz JKODLEZROPNDJN-SFYZADRCSA-N 0 0 156.225 1.517 10 0 ADAERN Cc1ccc(O[C@H](C)CO)c(C=O)c1 308566349 573382166 /nfs/dbraw/zinc/38/21/66/573382166.db2.gz YLVWGNZRIADOTI-SECBINFHSA-N 0 0 194.230 1.567 10 0 ADAERN CC(=O)[C@H](C)CCC(C)(C)O 86353533 573382188 /nfs/dbraw/zinc/38/21/88/573382188.db2.gz ZAXWOUCDLOUJSE-SSDOTTSWSA-N 0 0 158.241 1.763 10 0 ADAERN C[C@@H](CC[C@H]1CCCO1)OCCO 238374329 573382191 /nfs/dbraw/zinc/38/21/91/573382191.db2.gz DGBJRBDQELBOOT-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN Cn1cccc1CCC(=O)NC1CC1 74732140 573382192 /nfs/dbraw/zinc/38/21/92/573382192.db2.gz YKFCCEJRXCNJJX-UHFFFAOYSA-N 0 0 192.262 1.236 10 0 ADAERN CC(=O)[C@H](C)[C@H]1CCOC1 86353278 573382195 /nfs/dbraw/zinc/38/21/95/573382195.db2.gz GTKAMPONAYKWBG-XPUUQOCRSA-N 0 0 142.198 1.248 10 0 ADAERN COC1=CC[C@H]([C@@H](C)O)CC1 238375712 573382203 /nfs/dbraw/zinc/38/22/03/573382203.db2.gz SOHWSXZWWRNOCO-SFYZADRCSA-N 0 0 156.225 1.698 10 0 ADAERN C/C=C\CCNC(=O)[C@@H]1OCC[C@H]1C 308377685 573382210 /nfs/dbraw/zinc/38/22/10/573382210.db2.gz BPYLMOOWUJNKCD-HWKXXFMVSA-N 0 0 197.278 1.494 10 0 ADAERN CCOC(=O)c1noc2cccnc12 259432331 573382217 /nfs/dbraw/zinc/38/22/17/573382217.db2.gz MDQTVJSSMDSNQE-UHFFFAOYSA-N 0 0 192.174 1.400 10 0 ADAERN CC(=O)[C@@H](C)CC1(O)CCCC1 86353361 573382243 /nfs/dbraw/zinc/38/22/43/573382243.db2.gz GJEWSRAWNCYQOP-QMMMGPOBSA-N 0 0 170.252 1.907 10 0 ADAERN COc1cc(N)c(=O)[nH]c1C(F)F 238375193 573382253 /nfs/dbraw/zinc/38/22/53/573382253.db2.gz BAVLQXLOLDMOKE-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COC[C@H](C)[C@H](C)C(C)=O 86353311 573382257 /nfs/dbraw/zinc/38/22/57/573382257.db2.gz UHCUDONLLZJQLC-BQBZGAKWSA-N 0 0 144.214 1.494 10 0 ADAERN O=C(NC1CCCCC1)c1ccno1 74713496 573382258 /nfs/dbraw/zinc/38/22/58/573382258.db2.gz LJULQLCOJPQMGG-UHFFFAOYSA-N 0 0 194.234 1.737 10 0 ADAERN CC(C)(O)C[C@H]1CCCCC1=O 86354293 573382263 /nfs/dbraw/zinc/38/22/63/573382263.db2.gz ZUWBLOADLDFUFE-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN CCC(C)(C)OCCn1cnc(N)n1 308567085 573382265 /nfs/dbraw/zinc/38/22/65/573382265.db2.gz QKSLBOVPDMCCBA-UHFFFAOYSA-N 0 0 198.270 1.066 10 0 ADAERN CCCc1cc(C)nc(CO)n1 259433006 573382272 /nfs/dbraw/zinc/38/22/72/573382272.db2.gz WHNMDUVLDNHWNT-UHFFFAOYSA-N 0 0 166.224 1.230 10 0 ADAERN C[C@@H]1CCC(=O)[C@H](CCCO)C1 86355087 573382273 /nfs/dbraw/zinc/38/22/73/573382273.db2.gz PWSTUENVUHZGDE-RKDXNWHRSA-N 0 0 170.252 1.764 10 0 ADAERN CC(C)CNC(=O)Cc1ccccn1 74723650 573382275 /nfs/dbraw/zinc/38/22/75/573382275.db2.gz DCYFPGAOYBWOHQ-UHFFFAOYSA-N 0 0 192.262 1.396 10 0 ADAERN CC1CCN(C(=O)c2ccno2)CC1 74713498 573382308 /nfs/dbraw/zinc/38/23/08/573382308.db2.gz OMZVMVFBPCJOMP-UHFFFAOYSA-N 0 0 194.234 1.547 10 0 ADAERN CC(=O)[C@H](C)C[C@H]1CCOC1 86353442 573382309 /nfs/dbraw/zinc/38/23/09/573382309.db2.gz UNKBHEDYCGWEGG-VXNVDRBHSA-N 0 0 156.225 1.638 10 0 ADAERN CC(=O)[C@H](C)CC1(O)CCCC1 86353362 573382336 /nfs/dbraw/zinc/38/23/36/573382336.db2.gz GJEWSRAWNCYQOP-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN COc1cncc(-c2c[nH]cn2)c1 238376111 573382341 /nfs/dbraw/zinc/38/23/41/573382341.db2.gz KSWBRGRHVFALCO-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN CC[C@]1(C2CC2)CC(=O)N1 83059301 573382351 /nfs/dbraw/zinc/38/23/51/573382351.db2.gz CWMWDUDQTYGIBI-MRVPVSSYSA-N 0 0 139.198 1.065 10 0 ADAERN O=C1CCC[C@@H]1Cc1ncccn1 86354105 573382353 /nfs/dbraw/zinc/38/23/53/573382353.db2.gz HVDGNMUZBYHLSE-MRVPVSSYSA-N 0 0 176.219 1.388 10 0 ADAERN COc1ccccc1[C@H]1NCCN1C 238375529 573382357 /nfs/dbraw/zinc/38/23/57/573382357.db2.gz XOJVTUUEYXFHRJ-NSHDSACASA-N 0 0 192.262 1.229 10 0 ADAERN CC[C@](O)(C1CCOCC1)C1CC1 83058420 573382373 /nfs/dbraw/zinc/38/23/73/573382373.db2.gz RIXNKNSGVJWUCU-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN CO[C@H]1OC[C@@H](CC(C)C)O1 238374711 573382388 /nfs/dbraw/zinc/38/23/88/573382388.db2.gz FHSKJRDLWXJSJR-SFYZADRCSA-N 0 0 160.213 1.378 10 0 ADAERN COc1cc(NCCSC)ccn1 133202402 573382404 /nfs/dbraw/zinc/38/24/04/573382404.db2.gz JNMUUUVNIHRFNS-UHFFFAOYSA-N 0 0 198.291 1.865 10 0 ADAERN COC1=CCCC(C)(C)[C@@H]1CO 238374507 573382410 /nfs/dbraw/zinc/38/24/10/573382410.db2.gz WWEFFKHDKFLSIN-MRVPVSSYSA-N 0 0 170.252 1.945 10 0 ADAERN CC[C@@]1(C2CC2)C[NH2+]C[C@H]1C(=O)[O-] 83059169 573382411 /nfs/dbraw/zinc/38/24/11/573382411.db2.gz HQBDTVWCCPFCRS-WPRPVWTQSA-N 0 0 183.251 1.097 10 0 ADAERN CC(C)C(=O)C[C@@H]1CCOC1 86353082 573382431 /nfs/dbraw/zinc/38/24/31/573382431.db2.gz ULOLSUWOUGQQEU-QMMMGPOBSA-N 0 0 156.225 1.638 10 0 ADAERN COc1cc(F)c(O)cc1[C@H](C)O 258011445 573382435 /nfs/dbraw/zinc/38/24/35/573382435.db2.gz HKNYPMFLBXCLQG-YFKPBYRVSA-N 0 0 186.182 1.593 10 0 ADAERN CSC[C@@H]1C(=O)CC[C@@H]1C 238374955 573382438 /nfs/dbraw/zinc/38/24/38/573382438.db2.gz JUXNKXDQNUZIIA-BQBZGAKWSA-N 0 0 158.266 1.965 10 0 ADAERN CC(=O)[C@@H](C)[C@@H]1CCOC1 86353272 573382439 /nfs/dbraw/zinc/38/24/39/573382439.db2.gz GTKAMPONAYKWBG-HTRCEHHLSA-N 0 0 142.198 1.248 10 0 ADAERN Cc1cccc([C@@H](C)ON)c1 259432149 573382466 /nfs/dbraw/zinc/38/24/66/573382466.db2.gz KJUBFHASOLGRCS-MRVPVSSYSA-N 0 0 151.209 1.946 10 0 ADAERN CCCCN(C)C(=O)c1cnc(C)o1 74734011 573383662 /nfs/dbraw/zinc/38/36/62/573383662.db2.gz XPTHSMITEWWAQM-UHFFFAOYSA-N 0 0 196.250 1.855 10 0 ADAERN COC1=CC[C@H](CO)CC1 238375681 573383676 /nfs/dbraw/zinc/38/36/76/573383676.db2.gz QRKRNUVSKXBIBN-ZETCQYMHSA-N 0 0 142.198 1.309 10 0 ADAERN CC[C@]1(C2CC2)C[C@@H](O)CCO1 83059185 573383678 /nfs/dbraw/zinc/38/36/78/573383678.db2.gz UAXNCEPBGLASJS-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN CC(C)[C@H](O)CCC(C)(C)O 86359375 573383707 /nfs/dbraw/zinc/38/37/07/573383707.db2.gz YGGYCIUVYDIGOX-MRVPVSSYSA-N 0 0 160.257 1.554 10 0 ADAERN COC[C@H](C)c1nnc(C(F)F)o1 308373568 573383708 /nfs/dbraw/zinc/38/37/08/573383708.db2.gz RAGJHBWOPPFHJF-BYPYZUCNSA-N 0 0 192.165 1.757 10 0 ADAERN CC(=O)C1(C2CCOCC2)COC1 259433200 573383714 /nfs/dbraw/zinc/38/37/14/573383714.db2.gz ZWOMGNZKOCTXPW-UHFFFAOYSA-N 0 0 184.235 1.019 10 0 ADAERN O=Cc1ccc2c(c1)NCCN2 107159714 573383730 /nfs/dbraw/zinc/38/37/30/573383730.db2.gz CQPWWPMZEIQKLN-UHFFFAOYSA-N 0 0 162.192 1.337 10 0 ADAERN CCN(CC)C(=O)c1cnc(C)o1 74734000 573383741 /nfs/dbraw/zinc/38/37/41/573383741.db2.gz YLXMMLNINZMXRL-UHFFFAOYSA-N 0 0 182.223 1.465 10 0 ADAERN OCCCC[C@@H]1CCC[C@@H]1O 86357636 573383757 /nfs/dbraw/zinc/38/37/57/573383757.db2.gz ZRXWZCPMKPQXBU-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN CC[C@H](C)NC(=O)N[C@H]1CCCO1 74753663 573383772 /nfs/dbraw/zinc/38/37/72/573383772.db2.gz JWAGMTCFDOPQIG-JGVFFNPUSA-N 0 0 186.255 1.221 10 0 ADAERN CO[C@H]1/C=C/CCC(=O)CC1 238374176 573382959 /nfs/dbraw/zinc/38/29/59/573382959.db2.gz BPEURJGIBMEJOW-SGRBOOSSSA-N 0 0 154.209 1.701 10 0 ADAERN C[C@@H](O)Cc1ccc(Cl)c(N)c1 259432263 573382968 /nfs/dbraw/zinc/38/29/68/573382968.db2.gz KZJJDKAKQQFSJW-ZCFIWIBFSA-N 0 0 185.654 1.846 10 0 ADAERN CC[C@H](C(C)=O)[C@H]1CCOC1 86353636 573382985 /nfs/dbraw/zinc/38/29/85/573382985.db2.gz SCYVZWJSIHMMBV-DTWKUNHWSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@@H](O)C[C@H]1CCCC1=O 86354133 573382992 /nfs/dbraw/zinc/38/29/92/573382992.db2.gz JKODLEZROPNDJN-HTQZYQBOSA-N 0 0 156.225 1.517 10 0 ADAERN O=C1CCC[C@H]1CCCO 86354082 573382994 /nfs/dbraw/zinc/38/29/94/573382994.db2.gz KVTOWUGXUNBIQR-ZETCQYMHSA-N 0 0 142.198 1.128 10 0 ADAERN COCc1ccc(CNOC)cc1O 258011460 573383778 /nfs/dbraw/zinc/38/37/78/573383778.db2.gz HKPUFYFMYPGSAV-UHFFFAOYSA-N 0 0 197.234 1.190 10 0 ADAERN CCC(=O)CCCCO 86353008 573383001 /nfs/dbraw/zinc/38/30/01/573383001.db2.gz DLRHXUIJLTVTSL-UHFFFAOYSA-N 0 0 130.187 1.128 10 0 ADAERN CSC[C@H](O)c1ccccn1 238374471 573383014 /nfs/dbraw/zinc/38/30/14/573383014.db2.gz NAULBZDMVLJMAP-QMMMGPOBSA-N 0 0 169.249 1.478 10 0 ADAERN O=Cc1cnc2c(n1)CCCC2 107159717 573383017 /nfs/dbraw/zinc/38/30/17/573383017.db2.gz RIMFWMJZJXUMEN-UHFFFAOYSA-N 0 0 162.192 1.168 10 0 ADAERN COC[C@H](O)C[C@@H]1CCCCC1=O 86354295 573383028 /nfs/dbraw/zinc/38/30/28/573383028.db2.gz SAZQPLJPVYPFKS-DTWKUNHWSA-N 0 0 186.251 1.143 10 0 ADAERN COc1ccc(C)n2ccnc12 238376016 573383032 /nfs/dbraw/zinc/38/30/32/573383032.db2.gz IJZCDIQTVQQTFI-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN COC1=CC[C@@H](CO)CC1 238375421 573383048 /nfs/dbraw/zinc/38/30/48/573383048.db2.gz QRKRNUVSKXBIBN-SSDOTTSWSA-N 0 0 142.198 1.309 10 0 ADAERN CC(C)[C@H](O)C[C@H]1CCOC1 86359543 573383783 /nfs/dbraw/zinc/38/37/83/573383783.db2.gz DXLJQPIODSTQRT-RKDXNWHRSA-N 0 0 158.241 1.430 10 0 ADAERN Cc1ncc(C(=O)NCC(C)C)o1 74733915 573383787 /nfs/dbraw/zinc/38/37/87/573383787.db2.gz QTTRVYBRBLYGHX-UHFFFAOYSA-N 0 0 182.223 1.369 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2ccccc2C1=O 86354400 573383068 /nfs/dbraw/zinc/38/30/68/573383068.db2.gz VYUADIULXMPEKK-PSASIEDQSA-N 0 0 190.242 1.813 10 0 ADAERN CO[C@@](C)(Cl)C(C)=O 238375672 573383789 /nfs/dbraw/zinc/38/37/89/573383789.db2.gz VUOCRNTYRZQOEZ-RXMQYKEDSA-N 0 0 136.578 1.177 10 0 ADAERN CC[C@@H](O)C[C@@H](C)COC 86359338 573383790 /nfs/dbraw/zinc/38/37/90/573383790.db2.gz MKPGWBOSFUNHQC-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN Cc1cccc([C@H]2COC[C@H]2O)c1C 687959541 573383131 /nfs/dbraw/zinc/38/31/31/573383131.db2.gz JBCSTOCJBJITPH-VXGBXAGGSA-N 0 0 192.258 1.778 10 0 ADAERN OCCCCC1=C[C@@H](O)CCC1 238653557 573383166 /nfs/dbraw/zinc/38/31/66/573383166.db2.gz NTZRFSHXJWQDJR-JTQLQIEISA-N 0 0 170.252 1.620 10 0 ADAERN C[C@H](O)[C@@H](C)CC(C)(C)O 86359954 573383795 /nfs/dbraw/zinc/38/37/95/573383795.db2.gz BBOMJCSSXWZKGW-BQBZGAKWSA-N 0 0 146.230 1.164 10 0 ADAERN Cc1cccn2c(C=O)ncc12 107159339 573383198 /nfs/dbraw/zinc/38/31/98/573383198.db2.gz GYUZWPZPKYZOCE-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CC(C)CON[C@@H]1CCC[C@H]1O 133177976 573383200 /nfs/dbraw/zinc/38/32/00/573383200.db2.gz VTGBBFONCWXYSK-RKDXNWHRSA-N 0 0 173.256 1.077 10 0 ADAERN CO[C@@](C)(O)c1ccc(O)cc1 238375812 573383213 /nfs/dbraw/zinc/38/32/13/573383213.db2.gz PUBJYTOJRYDEPK-SECBINFHSA-N 0 0 168.192 1.204 10 0 ADAERN CO[C@@H](c1ccccc1)[C@H](C)NN 126154087 573383216 /nfs/dbraw/zinc/38/32/16/573383216.db2.gz YUDVAOMDOXKLTO-WCBMZHEXSA-N 0 0 180.251 1.226 10 0 ADAERN CCCC[C@H](CC)[C@H](O)CCO 78410515 573383238 /nfs/dbraw/zinc/38/32/38/573383238.db2.gz PSLQXKVLHHZPLW-VHSXEESVSA-N 0 0 174.284 1.946 10 0 ADAERN Cc1cnn2c1C(=O)CCC2 107157404 573383251 /nfs/dbraw/zinc/38/32/51/573383251.db2.gz OAGUAWZAEAAYQR-UHFFFAOYSA-N 0 0 150.181 1.168 10 0 ADAERN O=c1cc[nH]c(C(F)F)c1O 118074294 573383254 /nfs/dbraw/zinc/38/32/54/573383254.db2.gz BSDCZLPLYMRAKO-UHFFFAOYSA-N 0 0 161.107 1.018 10 0 ADAERN Clc1ncc2ncoc2n1 107158534 573383266 /nfs/dbraw/zinc/38/32/66/573383266.db2.gz KOQSLWUTDDWMHA-UHFFFAOYSA-N 0 0 155.544 1.271 10 0 ADAERN CO[C@@](C)(CO)C1=CCCC1 238375538 573383278 /nfs/dbraw/zinc/38/32/78/573383278.db2.gz OVEDUBAGMNAHMU-VIFPVBQESA-N 0 0 156.225 1.494 10 0 ADAERN COC1=CCCC[C@@]1(C)CO 238374693 573383323 /nfs/dbraw/zinc/38/33/23/573383323.db2.gz DCHZLPSONKIPFA-VIFPVBQESA-N 0 0 156.225 1.699 10 0 ADAERN Cc1ccc2cnc(C=O)n2c1 107159332 573383346 /nfs/dbraw/zinc/38/33/46/573383346.db2.gz KSTSUICPHVENFE-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN Cc1ccc2cc(C=O)nn2c1 107159358 573383360 /nfs/dbraw/zinc/38/33/60/573383360.db2.gz ABWYXDUXFDMMQH-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN Cc1cccn2nc(C=O)cc12 107159350 573383378 /nfs/dbraw/zinc/38/33/78/573383378.db2.gz JKEBZIZLELKAKT-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN COC1=CCCC(C)(C)[C@H]1CO 238374534 573383390 /nfs/dbraw/zinc/38/33/90/573383390.db2.gz WWEFFKHDKFLSIN-QMMMGPOBSA-N 0 0 170.252 1.945 10 0 ADAERN Clc1ccc2cnoc2n1 107158278 573383396 /nfs/dbraw/zinc/38/33/96/573383396.db2.gz FPSBAPFCUBYJHD-UHFFFAOYSA-N 0 0 154.556 1.876 10 0 ADAERN Cc1ccc2c(C=O)ncn2c1 107159365 573383414 /nfs/dbraw/zinc/38/34/14/573383414.db2.gz DZAFVQVBQKGANV-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CC(C)C[C@H]1C(=O)CCN1C 107158476 573383426 /nfs/dbraw/zinc/38/34/26/573383426.db2.gz MDCUAUCHGBJJET-QMMMGPOBSA-N 0 0 155.241 1.306 10 0 ADAERN CC[C@](O)(c1nccn1C)C1CC1 83058711 573383448 /nfs/dbraw/zinc/38/34/48/573383448.db2.gz ZTYDDKUMPINUOD-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN CO[C@H](c1ccccc1)[C@H](C)NN 126153706 573383456 /nfs/dbraw/zinc/38/34/56/573383456.db2.gz YUDVAOMDOXKLTO-WPRPVWTQSA-N 0 0 180.251 1.226 10 0 ADAERN CC[C@](O)(c1cnccn1)C1CC1 83058481 573383475 /nfs/dbraw/zinc/38/34/75/573383475.db2.gz CKLUFNBYXLNMFJ-SNVBAGLBSA-N 0 0 178.235 1.484 10 0 ADAERN CO[C@H]1OC[C@H](CC(C)C)O1 238375555 573383486 /nfs/dbraw/zinc/38/34/86/573383486.db2.gz FHSKJRDLWXJSJR-YUMQZZPRSA-N 0 0 160.213 1.378 10 0 ADAERN COC(=O)C12CCC(CC1)C[C@@H]2O 238375524 573383492 /nfs/dbraw/zinc/38/34/92/573383492.db2.gz OBTAPKJBIBSOPG-ZCUBBSJVSA-N 0 0 184.235 1.101 10 0 ADAERN Cc1ncn2cccc(C=O)c12 107159379 573383513 /nfs/dbraw/zinc/38/35/13/573383513.db2.gz FBGVYMVCGIDFPS-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN COc1ccc(C)n2c(N)cnc12 238375977 573383520 /nfs/dbraw/zinc/38/35/20/573383520.db2.gz WSKNZFUOGFGKTH-UHFFFAOYSA-N 0 0 177.207 1.234 10 0 ADAERN CCOCCNOCC(F)(F)F 133188180 573383529 /nfs/dbraw/zinc/38/35/29/573383529.db2.gz YWLMAMSTMFYGPC-UHFFFAOYSA-N 0 0 187.161 1.106 10 0 ADAERN CC(C)C[NH2+][C@]1(C(=O)[O-])C[C@@H](C)[C@H]1C 308567523 573383544 /nfs/dbraw/zinc/38/35/44/573383544.db2.gz INTKTAJGCZSXPR-FXPVBKGRSA-N 0 0 199.294 1.731 10 0 ADAERN Cc1cc(C[NH3+])c(=O)[nH]c1C1CC1 83057033 573383545 /nfs/dbraw/zinc/38/35/45/573383545.db2.gz AYJGNEXOFYYRHI-UHFFFAOYSA-N 0 0 178.235 1.019 10 0 ADAERN C/C=C\[C@H](O)[C@@H](O)c1ccc(O)cc1 308372796 573383547 /nfs/dbraw/zinc/38/35/47/573383547.db2.gz URVWSNXWVXZUDP-NPRAVPSUSA-N 0 0 194.230 1.363 10 0 ADAERN COc1cc(OC)c2cncn2c1 238376101 573383551 /nfs/dbraw/zinc/38/35/51/573383551.db2.gz GZASMXGRXGLVHS-UHFFFAOYSA-N 0 0 178.191 1.352 10 0 ADAERN CC(C)CC[C@@]1(C2CC2)COC(N)=N1 308566774 573383564 /nfs/dbraw/zinc/38/35/64/573383564.db2.gz YTTIJCYMNYLEFC-NSHDSACASA-N 0 0 196.294 1.916 10 0 ADAERN COc1ccc([C@H]([NH3+])C2CC2)o1 238374219 573383568 /nfs/dbraw/zinc/38/35/68/573383568.db2.gz HPYQOZRNFADJCQ-SECBINFHSA-N 0 0 167.208 1.698 10 0 ADAERN COC1=CC[C@H](O)CC=C1 238375698 573383583 /nfs/dbraw/zinc/38/35/83/573383583.db2.gz HMKZZYHSWFMIJI-SSDOTTSWSA-N 0 0 140.182 1.228 10 0 ADAERN COc1cccc(OC)c1NC=O 118005599 573383600 /nfs/dbraw/zinc/38/36/00/573383600.db2.gz HZJRKTUGSAQXCA-UHFFFAOYSA-N 0 0 181.191 1.272 10 0 ADAERN CCCCC(CO)(CO)C(C)C 86370918 573390610 /nfs/dbraw/zinc/39/06/10/573390610.db2.gz AQHPICNWFNXTGE-UHFFFAOYSA-N 0 0 174.284 1.804 10 0 ADAERN CC(C)[C@@H](C)[C@H](NN)c1cncnc1 129789781 573390625 /nfs/dbraw/zinc/39/06/25/573390625.db2.gz OAEYBKGRRWDAOH-SCZZXKLOSA-N 0 0 194.282 1.273 10 0 ADAERN COc1ccc(F)c2c1C(=O)OC2 238378498 573390654 /nfs/dbraw/zinc/39/06/54/573390654.db2.gz CMXZQNQPNYDTIE-UHFFFAOYSA-N 0 0 182.150 1.505 10 0 ADAERN COC[C@@H](O)CCC(F)F 86362203 573390658 /nfs/dbraw/zinc/39/06/58/573390658.db2.gz BJEKCCNNLQTLEY-YFKPBYRVSA-N 0 0 154.156 1.039 10 0 ADAERN Cn1ccc2cccc(OCCO)c21 118227843 573390669 /nfs/dbraw/zinc/39/06/69/573390669.db2.gz ZNBBQUQMTRKKPH-UHFFFAOYSA-N 0 0 191.230 1.549 10 0 ADAERN CCOC(=O)N1CCO[C@@H](C)[C@@H]1C 74835328 573390698 /nfs/dbraw/zinc/39/06/98/573390698.db2.gz DTHCRRWTKWVFFX-YUMQZZPRSA-N 0 0 187.239 1.252 10 0 ADAERN CC[C@@H]1NC2(CC2)C(=O)N1C1CCC1 124254138 573390702 /nfs/dbraw/zinc/39/07/02/573390702.db2.gz SUGFWKGOZBRTKO-SECBINFHSA-N 0 0 194.278 1.239 10 0 ADAERN Cc1cccc2c1N[C@@H](N)S2 118232202 573390709 /nfs/dbraw/zinc/39/07/09/573390709.db2.gz MTJFQUFXMXSUKK-MRVPVSSYSA-N 0 0 166.249 1.755 10 0 ADAERN CCCC1(C(=O)OCC)COC1 258495191 573390716 /nfs/dbraw/zinc/39/07/16/573390716.db2.gz DFTGDQLHXURAQB-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN CC(=O)Cn1ccc(C(C)C)n1 107161202 573390721 /nfs/dbraw/zinc/39/07/21/573390721.db2.gz JQBQAUQWNZFZKP-UHFFFAOYSA-N 0 0 166.224 1.596 10 0 ADAERN OCCCCC[C@H](O)C1CC1 86363084 573390724 /nfs/dbraw/zinc/39/07/24/573390724.db2.gz IDCGPDALJRQQID-VIFPVBQESA-N 0 0 158.241 1.310 10 0 ADAERN COc1ccc2c(c1)[C@@H](C(C)=O)CN2 258012494 573390726 /nfs/dbraw/zinc/39/07/26/573390726.db2.gz JDIXFRZQIZWKOR-SNVBAGLBSA-N 0 0 191.230 1.793 10 0 ADAERN CN1CCC(=O)[C@H]1c1ccco1 107160578 573390729 /nfs/dbraw/zinc/39/07/29/573390729.db2.gz SEIWVDIXZANMTL-VIFPVBQESA-N 0 0 165.192 1.225 10 0 ADAERN Nc1nc(Cc2cccnc2)cs1 258643124 573390731 /nfs/dbraw/zinc/39/07/31/573390731.db2.gz CYAGHYRLFUSVTB-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN COCCCCC1(O)CCC1 258012352 573390732 /nfs/dbraw/zinc/39/07/32/573390732.db2.gz MWUARNHGOMKSHI-UHFFFAOYSA-N 0 0 158.241 1.718 10 0 ADAERN CC(C)[C@@H](CCOCCO)[C@H](C)O 86362595 573390014 /nfs/dbraw/zinc/39/00/14/573390014.db2.gz FBZISNKINUNJLV-VHSXEESVSA-N 0 0 190.283 1.038 10 0 ADAERN COC(=O)NCCc1cncs1 74800872 573390023 /nfs/dbraw/zinc/39/00/23/573390023.db2.gz QAJGPVRXQIQPOW-UHFFFAOYSA-N 0 0 186.236 1.042 10 0 ADAERN COc1cccc2c1N[C@H](N)S2 118235613 573390030 /nfs/dbraw/zinc/39/00/30/573390030.db2.gz SMBLUPQTZLGZKE-QMMMGPOBSA-N 0 0 182.248 1.455 10 0 ADAERN C[C@@H](O)[C@H](C)CCC(C)(C)O 86360268 573390042 /nfs/dbraw/zinc/39/00/42/573390042.db2.gz WCGVPGWALKYSHB-HTQZYQBOSA-N 0 0 160.257 1.554 10 0 ADAERN NOC[C@H]1COc2cccc(Cl)c21 258019948 573390043 /nfs/dbraw/zinc/39/00/43/573390043.db2.gz JLXJAXORPRAHAA-ZCFIWIBFSA-N 0 0 199.637 1.706 10 0 ADAERN CCCCC(C)(CO)CO 86370528 573390051 /nfs/dbraw/zinc/39/00/51/573390051.db2.gz QOOXGUCQYVVEFD-UHFFFAOYSA-N 0 0 146.230 1.168 10 0 ADAERN C[N@@H+]1CC[C@@H](C/C=C\CC(=O)[O-])C1 258013637 573390059 /nfs/dbraw/zinc/39/00/59/573390059.db2.gz BFQIEYBLULCQAR-PKRMOACSSA-N 0 0 183.251 1.359 10 0 ADAERN COC(=O)N(C)c1nccs1 74818079 573390069 /nfs/dbraw/zinc/39/00/69/573390069.db2.gz WSEPLQHSWGWSQN-UHFFFAOYSA-N 0 0 172.209 1.346 10 0 ADAERN CC[C@H](O)[C@H](C)[C@@H]1CCC[C@@H]1O 86363435 573390074 /nfs/dbraw/zinc/39/00/74/573390074.db2.gz ZRGGESWLNHJNIV-KATARQTJSA-N 0 0 172.268 1.554 10 0 ADAERN C[NH2+][C@@H](CC(C)C)C[C@@H](C)C(=O)[O-] 259436206 573390075 /nfs/dbraw/zinc/39/00/75/573390075.db2.gz OIGVPDMPXUURHR-BDAKNGLRSA-N 0 0 187.283 1.731 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/nfs/dbraw/zinc/39/04/52/573390452.db2.gz AKNIBZCLBFBHBW-UHFFFAOYSA-N 0 0 190.246 1.987 10 0 ADAERN CC(C)[C@H](C)[C@H](NN)c1cncnc1 129789970 573390458 /nfs/dbraw/zinc/39/04/58/573390458.db2.gz OAEYBKGRRWDAOH-WPRPVWTQSA-N 0 0 194.282 1.273 10 0 ADAERN CCc1ncc2n1CCC[C@H]2[NH3+] 107160799 573390460 /nfs/dbraw/zinc/39/04/60/573390460.db2.gz TWCHGSMSFZNCSR-SSDOTTSWSA-N 0 0 165.240 1.239 10 0 ADAERN CSc1ccc2c(c1)C[C@@H](O)C2 238379388 573390464 /nfs/dbraw/zinc/39/04/64/573390464.db2.gz WYLQYONOMOKUHP-VIFPVBQESA-N 0 0 180.272 1.868 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@H](CCO)C1 86361474 573390472 /nfs/dbraw/zinc/39/04/72/573390472.db2.gz PIUDZCJIQSQIPF-BBBLOLIVSA-N 0 0 172.268 1.556 10 0 ADAERN CC(=O)Cc1cnn(C(C)C)c1 107161291 573390481 /nfs/dbraw/zinc/39/04/81/573390481.db2.gz WWUGKHLBAFBFGM-UHFFFAOYSA-N 0 0 166.224 1.596 10 0 ADAERN COC[C@@H](C)C(=O)O[C@@H](C)C1CC1 308379627 573390500 /nfs/dbraw/zinc/39/05/00/573390500.db2.gz UGYTUMMWYXARIB-SFYZADRCSA-N 0 0 186.251 1.611 10 0 ADAERN CONCc1cc(F)ccc1N(C)C 258013720 573390508 /nfs/dbraw/zinc/39/05/08/573390508.db2.gz DBKKCWOKXWBUPY-UHFFFAOYSA-N 0 0 198.241 1.543 10 0 ADAERN CC(C)[C@H]([C@@H](C)O)[C@H]1CCOC1 86362894 573390515 /nfs/dbraw/zinc/39/05/15/573390515.db2.gz QVJFNMGEHPPNSP-KXUCPTDWSA-N 0 0 172.268 1.676 10 0 ADAERN C[C@@H](Cc1ccncc1)[C@@H](C)O 86360293 573390523 /nfs/dbraw/zinc/39/05/23/573390523.db2.gz GCJRHRZQQOGRLO-DTWKUNHWSA-N 0 0 165.236 1.641 10 0 ADAERN OC[C@H]1OCc2cc(F)ccc2O1 258339735 573390538 /nfs/dbraw/zinc/39/05/38/573390538.db2.gz VJWUHUSXIDXLLK-VIFPVBQESA-N 0 0 184.166 1.053 10 0 ADAERN CCCCC(=O)NCCc1cocn1 74814358 573390567 /nfs/dbraw/zinc/39/05/67/573390567.db2.gz CEMCRZCAWLAOSU-UHFFFAOYSA-N 0 0 196.250 1.524 10 0 ADAERN CC(=O)Cc1ccnn1C(C)C 107161295 573390569 /nfs/dbraw/zinc/39/05/69/573390569.db2.gz AXAXVELNJARBON-UHFFFAOYSA-N 0 0 166.224 1.596 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@H](CCO)C1 86361055 573390575 /nfs/dbraw/zinc/39/05/75/573390575.db2.gz WXBPPPPCVTTXHP-IWSPIJDZSA-N 0 0 158.241 1.166 10 0 ADAERN CC1(C)c2ccc(O)cc2CC[C@@H]1O 259434879 573390586 /nfs/dbraw/zinc/39/05/86/573390586.db2.gz UIXGMDYXFADJAQ-NSHDSACASA-N 0 0 192.258 1.977 10 0 ADAERN COC1=N[C@@H](C(C)(C)C)NC[C@@H]1C 238379732 573392209 /nfs/dbraw/zinc/39/22/09/573392209.db2.gz SVLPVLZYFUBJEM-CBAPKCEASA-N 0 0 184.283 1.643 10 0 ADAERN Nc1ncc(Cc2cccc(F)c2)o1 258643227 573392243 /nfs/dbraw/zinc/39/22/43/573392243.db2.gz SFOPJXMGTXLZEX-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN C[C@@]1(c2ccccc2)NCCC1=O 107164324 573392250 /nfs/dbraw/zinc/39/22/50/573392250.db2.gz WGFIKJVWHOMATF-NSHDSACASA-N 0 0 175.231 1.464 10 0 ADAERN CC(C)[C@H](C)[C@@H](NN)[C@@H]1CCOC1 133286595 573392254 /nfs/dbraw/zinc/39/22/54/573392254.db2.gz RLDKXKFMUSLEFT-IVZWLZJFSA-N 0 0 186.299 1.147 10 0 ADAERN CCC1(CN[C@@H]2C[C@@H](C)OC2=O)CC1 308569493 573392265 /nfs/dbraw/zinc/39/22/65/573392265.db2.gz BMBXEJQJSILZSW-RKDXNWHRSA-N 0 0 197.278 1.470 10 0 ADAERN Clc1ccc2c(n1)COCC2 107162791 573392308 /nfs/dbraw/zinc/39/23/08/573392308.db2.gz UIEDNGHXUKYFFD-UHFFFAOYSA-N 0 0 169.611 1.808 10 0 ADAERN COC1=NC[C@H](C)Nc2ccccc21 238379155 573392310 /nfs/dbraw/zinc/39/23/10/573392310.db2.gz KYDJKBOSOVQJMT-QMMMGPOBSA-N 0 0 190.246 1.894 10 0 ADAERN C[C@H]1CCCN[C@H]1C(=O)OCC1CC1 235584133 573392920 /nfs/dbraw/zinc/39/29/20/573392920.db2.gz PZDBOMBZQFKFMC-WCBMZHEXSA-N 0 0 197.278 1.328 10 0 ADAERN COC[C@@H](O)COc1ccccc1 39647365 573392320 /nfs/dbraw/zinc/39/23/20/573392320.db2.gz OXUZKCMICJWVFP-SECBINFHSA-N 0 0 182.219 1.073 10 0 ADAERN CC(C)CC[C@@H]1C(=O)CCN1C 107162684 573392333 /nfs/dbraw/zinc/39/23/33/573392333.db2.gz GXTICBXZAHAEOJ-SECBINFHSA-N 0 0 169.268 1.696 10 0 ADAERN CCOC1CC(OC(=O)C2CC2)C1 308379079 573392349 /nfs/dbraw/zinc/39/23/49/573392349.db2.gz UDKWLSLQWWDCIY-UHFFFAOYSA-N 0 0 184.235 1.507 10 0 ADAERN CO[C@H](C1CC1)[C@@H](O)CCC1CC1 133274572 573392358 /nfs/dbraw/zinc/39/23/58/573392358.db2.gz PILOBDSOGDTGJI-WDEREUQCSA-N 0 0 184.279 1.963 10 0 ADAERN COC1=NCC(C)(C)CC(=O)C1 238378687 573392367 /nfs/dbraw/zinc/39/23/67/573392367.db2.gz WOCHCLYGLWIZJL-UHFFFAOYSA-N 0 0 169.224 1.420 10 0 ADAERN CCOc1cnc(C(C)C)nc1CO 50365885 573392384 /nfs/dbraw/zinc/39/23/84/573392384.db2.gz PSFYJXWXSZHMLZ-UHFFFAOYSA-N 0 0 196.250 1.491 10 0 ADAERN CC[C@H](O)[C@H]1CCC(=O)N1C(C)C 257801023 573392399 /nfs/dbraw/zinc/39/23/99/573392399.db2.gz MRKYUCOCEUOFDI-BDAKNGLRSA-N 0 0 185.267 1.157 10 0 ADAERN O=C1OCc2c1ccnc2Cl 118281831 573392403 /nfs/dbraw/zinc/39/24/03/573392403.db2.gz LHWNUJZSGCIZIG-UHFFFAOYSA-N 0 0 169.567 1.405 10 0 ADAERN COC[C@@H](OC(=O)C(C)C)C1CC1 308379602 573392410 /nfs/dbraw/zinc/39/24/10/573392410.db2.gz UGAIVIGHVWYQEV-SECBINFHSA-N 0 0 186.251 1.611 10 0 ADAERN CCN1C[C@H](C)Nc2cc(N)ccc21 259436793 573392419 /nfs/dbraw/zinc/39/24/19/573392419.db2.gz ZNTQXQMDMGJAPC-QMMMGPOBSA-N 0 0 191.278 1.909 10 0 ADAERN CC[C@@H](C)[C@H](O)c1ccncn1 86388170 573392429 /nfs/dbraw/zinc/39/24/29/573392429.db2.gz WEUVVNCYTSJFGG-APPZFPTMSA-N 0 0 166.224 1.556 10 0 ADAERN OCCCC[C@@H]1CCCOC1 118277673 573392443 /nfs/dbraw/zinc/39/24/43/573392443.db2.gz LSNUFVBCJRCYIJ-SECBINFHSA-N 0 0 158.241 1.576 10 0 ADAERN O=C1CCc2cc(F)c(CO)cc2N1 118336625 573392466 /nfs/dbraw/zinc/39/24/66/573392466.db2.gz YCGNFAXLGAWJTP-UHFFFAOYSA-N 0 0 195.193 1.203 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H]1CCCOC1 86388111 573392468 /nfs/dbraw/zinc/39/24/68/573392468.db2.gz UBRKPMHPZWJECS-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN COC1=NCCNc2ccccc21 238378847 573392495 /nfs/dbraw/zinc/39/24/95/573392495.db2.gz WDZRFRJPYBADOE-UHFFFAOYSA-N 0 0 176.219 1.505 10 0 ADAERN C[C@H](O)[C@H]1CSc2ccccc2O1 235581257 573392501 /nfs/dbraw/zinc/39/25/01/573392501.db2.gz RAEAVKWJBXELSJ-IONNQARKSA-N 0 0 196.271 1.921 10 0 ADAERN CO[C@H](CO)C/C=C\Br 215186103 573392503 /nfs/dbraw/zinc/39/25/03/573392503.db2.gz LSFKYTQCFIQGHR-DNDNTSGYSA-N 0 0 195.056 1.292 10 0 ADAERN CN1CCC(=O)[C@]1(C)C(C)(C)C 107162691 573392513 /nfs/dbraw/zinc/39/25/13/573392513.db2.gz HKCHJMINEUVNQF-SNVBAGLBSA-N 0 0 169.268 1.696 10 0 ADAERN 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238386688 573397439 /nfs/dbraw/zinc/39/74/39/573397439.db2.gz GPSNZEIAZHACFZ-JTQLQIEISA-N 0 0 180.251 1.590 10 0 ADAERN Cc1ccc(O)c(NCCO)c1 118285457 573397463 /nfs/dbraw/zinc/39/74/63/573397463.db2.gz OBYRABCBPYQZQB-UHFFFAOYSA-N 0 0 167.208 1.105 10 0 ADAERN COC1=NCNC(c2ccccc2)=C1 238390128 573397479 /nfs/dbraw/zinc/39/74/79/573397479.db2.gz SPGFEBLLYZKLHJ-UHFFFAOYSA-N 0 0 188.230 1.633 10 0 ADAERN CCc1c2cc(O)ccc2nn1C 257810274 573397487 /nfs/dbraw/zinc/39/74/87/573397487.db2.gz AJCPYEBEUMWLBV-UHFFFAOYSA-N 0 0 176.219 1.841 10 0 ADAERN CN1CCNc2c(CO)cccc21 259436667 573397488 /nfs/dbraw/zinc/39/74/88/573397488.db2.gz ZMNHZOPMGLGKND-UHFFFAOYSA-N 0 0 178.235 1.041 10 0 ADAERN COC(=O)Nc1ccc2c[nH]nc2c1 74850119 573397494 /nfs/dbraw/zinc/39/74/94/573397494.db2.gz YYQCYVBMXCASMF-UHFFFAOYSA-N 0 0 191.190 1.741 10 0 ADAERN CC(C)(C)ONCCCCCO 133431958 573397502 /nfs/dbraw/zinc/39/75/02/573397502.db2.gz AXPLQTKUQOWQLV-UHFFFAOYSA-N 0 0 175.272 1.469 10 0 ADAERN CSc1cccc2c1C[C@@H](O)C2 238386328 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/nfs/dbraw/zinc/39/77/93/573397793.db2.gz UZLCMXCKFFYHDF-ZQARSLAVSA-N 0 0 170.208 1.139 10 0 ADAERN C[C@@H](O)CN1CN(C)c2ccccc21 238387000 573397804 /nfs/dbraw/zinc/39/78/04/573397804.db2.gz AZZQJXLXGJYAQD-SECBINFHSA-N 0 0 192.262 1.281 10 0 ADAERN O[C@@H](CCc1ccccc1)[C@@H]1CCO1 308573156 573397810 /nfs/dbraw/zinc/39/78/10/573397810.db2.gz GAGNSYXOUSCASY-RYUDHWBXSA-N 0 0 192.258 1.769 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@@H]2C[C@@H]21 107171398 573397811 /nfs/dbraw/zinc/39/78/11/573397811.db2.gz LITYXMIPETZHLC-WEDXCCLWSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1ccccc1[C@@H]1C(=O)CCN1C 107174401 573397816 /nfs/dbraw/zinc/39/78/16/573397816.db2.gz IFUHCYJSJPVDNI-GFCCVEGCSA-N 0 0 189.258 1.941 10 0 ADAERN Cc1ccc2c(=O)occ-2[nH]1 118278227 573397822 /nfs/dbraw/zinc/39/78/22/573397822.db2.gz JMIABKWSWZVKRG-UHFFFAOYSA-N 0 0 149.149 1.060 10 0 ADAERN CC(C)(C)ONCc1cc[nH]n1 133415636 573397823 /nfs/dbraw/zinc/39/78/23/573397823.db2.gz IBBGLNBGQSJRLD-UHFFFAOYSA-N 0 0 169.228 1.229 10 0 ADAERN 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WOXKPMOBRTZXEF-SECBINFHSA-N 0 0 184.235 1.532 10 0 ADAERN CC(C)(C)CNC(=O)N1CCOC1 74905232 573409629 /nfs/dbraw/zinc/40/96/29/573409629.db2.gz SQMCMGNRZXFFTP-UHFFFAOYSA-N 0 0 186.255 1.032 10 0 ADAERN O[C@@H](c1ccccc1)[C@H](O)CC1C=C1 308578591 573409632 /nfs/dbraw/zinc/40/96/32/573409632.db2.gz IRCFHPQPPHVQLF-NEPJUHHUSA-N 0 0 190.242 1.657 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)OC(C)(C)C 86758907 573606529 /nfs/dbraw/zinc/60/65/29/573606529.db2.gz XUZGIQROJRBPTQ-JGVFFNPUSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@]12C=CCC(=O)[C@H]1CC2 238446841 573606531 /nfs/dbraw/zinc/60/65/31/573606531.db2.gz KDEDTBZUCWIUOJ-VXNVDRBHSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)c1ccc[nH]1 86756703 573606534 /nfs/dbraw/zinc/60/65/34/573606534.db2.gz OILNSXZRLTYVQK-JGVFFNPUSA-N 0 0 179.219 1.622 10 0 ADAERN COC1=C[C@H]2C(=O)CC[C@@H]2CC1 238389313 573408964 /nfs/dbraw/zinc/40/89/64/573408964.db2.gz LALGGUUXVDQLQV-IONNQARKSA-N 0 0 166.220 1.906 10 0 ADAERN CCC[C@H](C)OC(=O)[C@@H](CC)CO 308386389 573409010 /nfs/dbraw/zinc/40/90/10/573409010.db2.gz XFHNRYUAKUQUHN-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)N1CC[C@H](C)C1 74905625 573409017 /nfs/dbraw/zinc/40/90/17/573409017.db2.gz NRILQIAQDMEUAW-ZETCQYMHSA-N 0 0 157.213 1.485 10 0 ADAERN Cc1ccc([C@H]2CCNO2)cc1 258646768 573409030 /nfs/dbraw/zinc/40/90/30/573409030.db2.gz ZEHAGQWUWMLAPN-SNVBAGLBSA-N 0 0 163.220 1.961 10 0 ADAERN COc1ccc(C=O)c2onc(C)c12 259441655 573409055 /nfs/dbraw/zinc/40/90/55/573409055.db2.gz PBHMBVFGSUDCII-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN Cc1cc2nc(C(C)C)nn2[nH]1 118492284 573409061 /nfs/dbraw/zinc/40/90/61/573409061.db2.gz SSIRDLZODXOETI-UHFFFAOYSA-N 0 0 164.212 1.489 10 0 ADAERN CCOCC(=O)c1ccncc1F 133524097 573409109 /nfs/dbraw/zinc/40/91/09/573409109.db2.gz OWCYYMDYZOBCQP-UHFFFAOYSA-N 0 0 183.182 1.440 10 0 ADAERN CCCCC[C@@](C)(O)c1cn(C)nn1 308577095 573409114 /nfs/dbraw/zinc/40/91/14/573409114.db2.gz NFTIGRHWXOWMPC-SNVBAGLBSA-N 0 0 197.282 1.603 10 0 ADAERN CN[C@](C)(C[C@@H]1CCCO1)C(F)F 689810283 573409117 /nfs/dbraw/zinc/40/91/17/573409117.db2.gz UEMHEZDYOIOMTG-IONNQARKSA-N 0 0 193.237 1.799 10 0 ADAERN NN[C@H](C1=CCCCC1)C(F)F 236211048 573409127 /nfs/dbraw/zinc/40/91/27/573409127.db2.gz MDPNFJMQRMGHPE-SSDOTTSWSA-N 0 0 176.210 1.584 10 0 ADAERN COCc1noc(/C=C/C(C)C)n1 308384829 573409139 /nfs/dbraw/zinc/40/91/39/573409139.db2.gz WJMIISCIIRATAG-SNAWJCMRSA-N 0 0 182.223 1.885 10 0 ADAERN Cc1occc1/C=C1\CC(=O)NC1=O 320914591 573409149 /nfs/dbraw/zinc/40/91/49/573409149.db2.gz ATKBFNBSFVEBFD-XBXARRHUSA-N 0 0 191.186 1.018 10 0 ADAERN CCC[C@@H]([NH2+]C)[C@H](C(=O)[O-])C(C)C 259440505 573409151 /nfs/dbraw/zinc/40/91/51/573409151.db2.gz ZTQGVBNVYKUEHM-RKDXNWHRSA-N 0 0 187.283 1.731 10 0 ADAERN Cc1sc2ccnn2c1N 118490195 573409161 /nfs/dbraw/zinc/40/91/61/573409161.db2.gz QOOQRBCYHDBMNN-UHFFFAOYSA-N 0 0 153.210 1.286 10 0 ADAERN CCC[C@H]([NH2+]C)[C@@H](C(=O)[O-])C(C)C 259440503 573409168 /nfs/dbraw/zinc/40/91/68/573409168.db2.gz ZTQGVBNVYKUEHM-IUCAKERBSA-N 0 0 187.283 1.731 10 0 ADAERN CNC(NC)c1ccc(Cl)s1 259098931 573409171 /nfs/dbraw/zinc/40/91/71/573409171.db2.gz AFLXYTKWXNSETF-UHFFFAOYSA-N 0 0 190.699 1.839 10 0 ADAERN NC(=O)Cc1ccc(F)c2ccoc12 118473912 573409172 /nfs/dbraw/zinc/40/91/72/573409172.db2.gz FCEGWKVUKONNCH-UHFFFAOYSA-N 0 0 193.177 1.600 10 0 ADAERN CN[C@H](C)c1nc(CC2CCC2)no1 308576888 573409193 /nfs/dbraw/zinc/40/91/93/573409193.db2.gz HZELIGWEYZJHGF-SSDOTTSWSA-N 0 0 195.266 1.693 10 0 ADAERN C/C=C\CCNC(=O)c1ncccn1 308384849 573409207 /nfs/dbraw/zinc/40/92/07/573409207.db2.gz GIFSIGXBAAIYLP-IHWYPQMZSA-N 0 0 191.234 1.173 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH3+])c1cc[nH]c1 259441103 573409220 /nfs/dbraw/zinc/40/92/20/573409220.db2.gz NPNIXTRTNQSSGD-YUMQZZPRSA-N 0 0 182.223 1.125 10 0 ADAERN CC(C)C[NH2+][C@]1(C(=O)[O-])CCC1(C)C 308578562 573409286 /nfs/dbraw/zinc/40/92/86/573409286.db2.gz FNPGIGHPYSAMGZ-NSHDSACASA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH3+])c1cc[nH]c1 259441096 573409297 /nfs/dbraw/zinc/40/92/97/573409297.db2.gz NPNIXTRTNQSSGD-JGVFFNPUSA-N 0 0 182.223 1.125 10 0 ADAERN CCOC(=O)c1ccccc1OCO 33505678 573409301 /nfs/dbraw/zinc/40/93/01/573409301.db2.gz AUYJJTVZTXEPIK-UHFFFAOYSA-N 0 0 196.202 1.192 10 0 ADAERN CCOC(=O)N1CC[C@@H](C)C1 74905626 573409314 /nfs/dbraw/zinc/40/93/14/573409314.db2.gz NRILQIAQDMEUAW-SSDOTTSWSA-N 0 0 157.213 1.485 10 0 ADAERN COCc1nc2c(s1)CCC[C@H]2O 83117317 573409323 /nfs/dbraw/zinc/40/93/23/573409323.db2.gz NXKGKMQFADIUIX-ZCFIWIBFSA-N 0 0 199.275 1.659 10 0 ADAERN Cn1cnc2cccc(C3(O)CC3)c21 258019020 573409324 /nfs/dbraw/zinc/40/93/24/573409324.db2.gz HYOGSHLTLLYYPE-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN O=C1CCc2ccc3ncoc3c21 118581145 573409332 /nfs/dbraw/zinc/40/93/32/573409332.db2.gz GFABPMUUVJVLPS-UHFFFAOYSA-N 0 0 173.171 1.957 10 0 ADAERN COCCOC(=O)[C@@H]1[C@H](C)C1(F)F 308384801 573409344 /nfs/dbraw/zinc/40/93/44/573409344.db2.gz WHRVIXQGULBJSN-WDSKDSINSA-N 0 0 194.177 1.077 10 0 ADAERN Cc1nc2c(s1)CCC[C@H]2O 83117267 573409346 /nfs/dbraw/zinc/40/93/46/573409346.db2.gz DGGAYPVNIKVMEE-ZCFIWIBFSA-N 0 0 169.249 1.821 10 0 ADAERN O[C@@H]1CCCc2scnc21 83117297 573409352 /nfs/dbraw/zinc/40/93/52/573409352.db2.gz CLJAPVMFMBTFHK-RXMQYKEDSA-N 0 0 155.222 1.513 10 0 ADAERN CCONC(=O)c1ccc(N)c(F)c1 83116723 573409382 /nfs/dbraw/zinc/40/93/82/573409382.db2.gz VEYMJSOHNQUGDK-UHFFFAOYSA-N 0 0 198.197 1.089 10 0 ADAERN Cc1oc(N)nc1-c1cccnc1 258645597 573409396 /nfs/dbraw/zinc/40/93/96/573409396.db2.gz SIQHGDAGVDXAEE-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN C[C@@H]1CC(=O)N(c2ccccc2F)N1 257811106 573409398 /nfs/dbraw/zinc/40/93/98/573409398.db2.gz AZCOMJLZIZLXOZ-SSDOTTSWSA-N 0 0 194.209 1.456 10 0 ADAERN CC(C)(Cc1ccccc1)ON 259440266 573409419 /nfs/dbraw/zinc/40/94/19/573409419.db2.gz LCGNSYYKFGQJBA-UHFFFAOYSA-N 0 0 165.236 1.898 10 0 ADAERN C[C@H]1C(=O)NCCc2ccccc21 118513410 573409438 /nfs/dbraw/zinc/40/94/38/573409438.db2.gz YFLAJACUIAQBCX-MRVPVSSYSA-N 0 0 175.231 1.462 10 0 ADAERN CC1C[C@@H](CO)C=CC=C[C@H](CO)C1 308577221 573409453 /nfs/dbraw/zinc/40/94/53/573409453.db2.gz IAENDOASQQUYHX-RAMGSTBQSA-N 0 0 196.290 1.746 10 0 ADAERN CN[C@H](C(=O)OC)c1ccc(C)o1 259101420 573409468 /nfs/dbraw/zinc/40/94/68/573409468.db2.gz QCKYTNBFPXDZEB-QMMMGPOBSA-N 0 0 183.207 1.022 10 0 ADAERN COC(=O)c1ccc(F)c(C=O)c1O 238390072 573410839 /nfs/dbraw/zinc/41/08/39/573410839.db2.gz VJNCGLJJIKCACD-UHFFFAOYSA-N 0 0 198.149 1.130 10 0 ADAERN Cc1c(C(C)C)[nH]oc1=O 107218016 573410846 /nfs/dbraw/zinc/41/08/46/573410846.db2.gz QSJUUCQIHLRMDO-UHFFFAOYSA-N 0 0 141.170 1.812 10 0 ADAERN COc1ccc(NCC[C@@H](C)O)cn1 133519835 573410849 /nfs/dbraw/zinc/41/08/49/573410849.db2.gz BDICKFFOQWMVBR-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](C)[C@@H]1C[C@@H](C)[C@H]1C 308577425 573410854 /nfs/dbraw/zinc/41/08/54/573410854.db2.gz NJKWGQROMJLNCW-ZYUZMQFOSA-N 0 0 199.294 1.826 10 0 ADAERN CCCCC[C@@]1(C)N=C(NC)NC1=O 133513221 573410855 /nfs/dbraw/zinc/41/08/55/573410855.db2.gz XRMSKFFQVAYNSE-SNVBAGLBSA-N 0 0 197.282 1.031 10 0 ADAERN CCc1[nH]oc(=O)c1C 107217286 573410857 /nfs/dbraw/zinc/41/08/57/573410857.db2.gz FJYSVYLMNVARLF-UHFFFAOYSA-N 0 0 127.143 1.251 10 0 ADAERN CC(C)NC(=O)N1CCCO[C@H]1C 74905215 573410865 /nfs/dbraw/zinc/41/08/65/573410865.db2.gz KKLQWZVMUCRWPT-QMMMGPOBSA-N 0 0 186.255 1.173 10 0 ADAERN CCOC(=O)NC[C@@H]1CCC=CO1 308386367 573410885 /nfs/dbraw/zinc/41/08/85/573410885.db2.gz XDQARBHHYZOHHD-QMMMGPOBSA-N 0 0 185.223 1.425 10 0 ADAERN COc1ccc([C@H]2CC[C@@H](O)O2)cc1 238381132 573410893 /nfs/dbraw/zinc/41/08/93/573410893.db2.gz VKEZXSVHKOUERP-MNOVXSKESA-N 0 0 194.230 1.865 10 0 ADAERN CC[C@@H](N[C@@H]1CCOC1=O)C(C)C 308386438 573410919 /nfs/dbraw/zinc/41/09/19/573410919.db2.gz XHLHGHDJMXAOQC-RKDXNWHRSA-N 0 0 185.267 1.326 10 0 ADAERN CCc1cc(F)c(O)c(CON)c1 258019011 573410938 /nfs/dbraw/zinc/41/09/38/573410938.db2.gz HYKWAKGVWDCGFD-UHFFFAOYSA-N 0 0 185.198 1.484 10 0 ADAERN C[C@H](CNC(=O)n1ccnc1)C1CC1 133556558 573410952 /nfs/dbraw/zinc/41/09/52/573410952.db2.gz FMHBNWNTAKGVNF-MRVPVSSYSA-N 0 0 193.250 1.487 10 0 ADAERN Cc1nc2c(s1)CCC[C@@H]2O 83117266 573410199 /nfs/dbraw/zinc/41/01/99/573410199.db2.gz DGGAYPVNIKVMEE-LURJTMIESA-N 0 0 169.249 1.821 10 0 ADAERN CC/C=C/C(=O)OCC(=O)C(F)F 308384705 573410254 /nfs/dbraw/zinc/41/02/54/573410254.db2.gz WERMZXGCIDQHIX-ONEGZZNKSA-N 0 0 192.161 1.330 10 0 ADAERN COC(=N)c1ccc(Cl)nc1 118521863 573410281 /nfs/dbraw/zinc/41/02/81/573410281.db2.gz BRCJEMTVKQKVIG-UHFFFAOYSA-N 0 0 170.599 1.707 10 0 ADAERN CNc1c(N)cc(N)c2cccnc12 118503968 573410341 /nfs/dbraw/zinc/41/03/41/573410341.db2.gz KRBGZCDGBJUCKT-UHFFFAOYSA-N 0 0 188.234 1.441 10 0 ADAERN CNC(=O)c1cc2ccsc2n1C 118505880 573410367 /nfs/dbraw/zinc/41/03/67/573410367.db2.gz ZJHVSHRDKZPWFK-UHFFFAOYSA-N 0 0 194.259 1.599 10 0 ADAERN CCOC(=O)/C=C1\C[C@H](O)CC[C@@H]1C 308576886 573410380 /nfs/dbraw/zinc/41/03/80/573410380.db2.gz HZECYVUYMFLSIC-BJHGEIEHSA-N 0 0 198.262 1.657 10 0 ADAERN CCOc1cc2nc(C(C)C)[nH]n2n1 118503983 573410381 /nfs/dbraw/zinc/41/03/81/573410381.db2.gz BJVSJWGJEPXQQF-UHFFFAOYSA-N 0 0 194.238 1.580 10 0 ADAERN CC(=O)CC(=O)N[C@@H]1CC=CCC1 78280765 573410388 /nfs/dbraw/zinc/41/03/88/573410388.db2.gz RUSCLJAZKACFFY-SECBINFHSA-N 0 0 181.235 1.190 10 0 ADAERN COc1nc(CC(C)C)c[nH]1 259101650 573410401 /nfs/dbraw/zinc/41/04/01/573410401.db2.gz OAKXUZFWIDSHQT-UHFFFAOYSA-N 0 0 154.213 1.617 10 0 ADAERN CC(=O)CC(=O)N[C@H]1CC=CCC1 78280764 573410419 /nfs/dbraw/zinc/41/04/19/573410419.db2.gz RUSCLJAZKACFFY-VIFPVBQESA-N 0 0 181.235 1.190 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](C)[C@@H]1C[C@@H](C)[C@@H]1C 308577423 573410432 /nfs/dbraw/zinc/41/04/32/573410432.db2.gz NJKWGQROMJLNCW-UTINFBMNSA-N 0 0 199.294 1.826 10 0 ADAERN COc1cccc2c(CO)coc12 258018991 573410449 /nfs/dbraw/zinc/41/04/49/573410449.db2.gz YHCBCECFNDUJRW-UHFFFAOYSA-N 0 0 178.187 1.934 10 0 ADAERN CN(C)c1nc2c(s1)CCC[C@@H]2O 83117436 573410468 /nfs/dbraw/zinc/41/04/68/573410468.db2.gz MHWKGZOKSNPNIQ-LURJTMIESA-N 0 0 198.291 1.579 10 0 ADAERN CCC[C@H](C)OC(=O)[C@H](CC)CO 308386388 573410526 /nfs/dbraw/zinc/41/05/26/573410526.db2.gz XFHNRYUAKUQUHN-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN COc1ccc(=O)c2c[nH]ccc1-2 238381908 573410547 /nfs/dbraw/zinc/41/05/47/573410547.db2.gz JIYDTGDDNZUMPL-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN COC[C@@H](C)C(=O)OC1CCCC1 308385596 573410549 /nfs/dbraw/zinc/41/05/49/573410549.db2.gz WSTHSDNQHQQSDC-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1nc2ncnn2c(N)c1[C@@H](C)F 238382758 573410556 /nfs/dbraw/zinc/41/05/56/573410556.db2.gz ZCBYCGUTMQMDOK-SCSAIBSYSA-N 0 0 195.201 1.045 10 0 ADAERN CCCNC(=O)Nc1cncc(C)c1 74903843 573410582 /nfs/dbraw/zinc/41/05/82/573410582.db2.gz JIQLBYQVOBKRTI-UHFFFAOYSA-N 0 0 193.250 1.922 10 0 ADAERN COc1ccc([C@H]2COC(=O)N2)o1 238382122 573410604 /nfs/dbraw/zinc/41/06/04/573410604.db2.gz YJTJESUTLJOWFK-RXMQYKEDSA-N 0 0 183.163 1.069 10 0 ADAERN CCOC(=O)/C=C1\C[C@H](O)CC[C@H]1C 308576887 573410605 /nfs/dbraw/zinc/41/06/05/573410605.db2.gz HZECYVUYMFLSIC-LYIYLLCESA-N 0 0 198.262 1.657 10 0 ADAERN CCOC(=O)C1=C(O)CCC1(C)C 118480718 573410608 /nfs/dbraw/zinc/41/06/08/573410608.db2.gz CDOYMQTVAXPCPY-QMMMGPOBSA-N 0 0 184.235 1.555 10 0 ADAERN CO[C@@]1(C)SCCCS[C@@H]1O 238380990 573410616 /nfs/dbraw/zinc/41/06/16/573410616.db2.gz GWIKGVVYJXFZFX-BQBZGAKWSA-N 0 0 194.321 1.538 10 0 ADAERN Cc1ccc(O)c([C@@H](C)CO)c1 238382103 573410631 /nfs/dbraw/zinc/41/06/31/573410631.db2.gz MYBTZDPWOPFCKT-QMMMGPOBSA-N 0 0 166.220 1.796 10 0 ADAERN COc1c(N)cncc1OC(C)C 257811153 573410632 /nfs/dbraw/zinc/41/06/32/573410632.db2.gz AXGXSGAKPVFLOA-UHFFFAOYSA-N 0 0 182.223 1.460 10 0 ADAERN C[C@](O)(CCCO)C1CCCC1 259098717 573410641 /nfs/dbraw/zinc/41/06/41/573410641.db2.gz CDZRLONVSNPEFY-JTQLQIEISA-N 0 0 172.268 1.700 10 0 ADAERN OCc1cccc(-c2cocn2)c1 257811144 573410724 /nfs/dbraw/zinc/41/07/24/573410724.db2.gz AWQAXUVHOMJTTI-UHFFFAOYSA-N 0 0 175.187 1.834 10 0 ADAERN Cn1cc(OC[C@H](O)C(C)(C)C)cn1 308577281 573410738 /nfs/dbraw/zinc/41/07/38/573410738.db2.gz IDIQFDWHQJZFQL-VIFPVBQESA-N 0 0 198.266 1.206 10 0 ADAERN COc1ccc(O)cc1N(C)C 238382521 573410758 /nfs/dbraw/zinc/41/07/58/573410758.db2.gz YTLLUEVMZNBOMC-UHFFFAOYSA-N 0 0 167.208 1.467 10 0 ADAERN COc1ccc(O)c2c1CCC(=O)N2 238381086 573410822 /nfs/dbraw/zinc/41/08/22/573410822.db2.gz NYVVQTDGMMECKM-UHFFFAOYSA-N 0 0 193.202 1.286 10 0 ADAERN COc1ccnc(C(F)F)c1CO 238382965 573418034 /nfs/dbraw/zinc/41/80/34/573418034.db2.gz XYBOAGSPFMXGIH-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN COCCC(=O)c1occc1C 686243212 573418065 /nfs/dbraw/zinc/41/80/65/573418065.db2.gz CKZJPYHBIUQHJH-UHFFFAOYSA-N 0 0 168.192 1.807 10 0 ADAERN CN(C(=O)C1CC=CC1)C(C)(C)CO 133590416 573418075 /nfs/dbraw/zinc/41/80/75/573418075.db2.gz CXZXNQVBBIFHFG-UHFFFAOYSA-N 0 0 197.278 1.182 10 0 ADAERN CC1(C)C[NH2+][C@](C)([C@H]2CCCCO2)O1 258335949 573418082 /nfs/dbraw/zinc/41/80/82/573418082.db2.gz DWSKQAGLNZGMKH-KOLCDFICSA-N 0 0 199.294 1.670 10 0 ADAERN C[C@@H]([NH3+])c1scnc1Cl 238383119 573417299 /nfs/dbraw/zinc/41/72/99/573417299.db2.gz NZNVNJOTVGECQR-GSVOUGTGSA-N 0 0 162.645 1.816 10 0 ADAERN C[C@H]1CC[C@H](C)N(C(=O)C(F)F)C1 235593366 573417301 /nfs/dbraw/zinc/41/73/01/573417301.db2.gz NRSXNWHEEFWARF-BQBZGAKWSA-N 0 0 191.221 1.899 10 0 ADAERN COC(=N)C1CCC1 83123346 573417306 /nfs/dbraw/zinc/41/73/06/573417306.db2.gz QARRCNPZEAAVGM-UHFFFAOYSA-N 0 0 113.160 1.410 10 0 ADAERN COCCNC(=O)C[C@H](C)C(C)C 308388092 573417327 /nfs/dbraw/zinc/41/73/27/573417327.db2.gz YDNQRNQHFSRZNA-VIFPVBQESA-N 0 0 187.283 1.431 10 0 ADAERN COc1ccc2nsnc2c1N 238384680 573417329 /nfs/dbraw/zinc/41/73/29/573417329.db2.gz TZTPIEUYENHGMY-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN COC(=O)N[C@@H]1COc2ccccc21 74913120 573417333 /nfs/dbraw/zinc/41/73/33/573417333.db2.gz JUJQUYBFRDKIJP-MRVPVSSYSA-N 0 0 193.202 1.476 10 0 ADAERN COc1cc(N)nc(F)c1C(F)F 238383990 573417336 /nfs/dbraw/zinc/41/73/36/573417336.db2.gz KTLWJQJVEIMSLG-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CO[C@H](c1ccc(C)cc1)[C@@H](O)CO 308580571 573417393 /nfs/dbraw/zinc/41/73/93/573417393.db2.gz JQHPWCVXZNUATP-WDEREUQCSA-N 0 0 196.246 1.036 10 0 ADAERN CCC(C)(C)[C@@H](NN)c1ccnn1C 133595939 573417394 /nfs/dbraw/zinc/41/73/94/573417394.db2.gz OWMALNJMRBYZHX-VIFPVBQESA-N 0 0 196.298 1.361 10 0 ADAERN CS[C@@H](C)C[C@H]1CNC(=O)C1 238383887 573417397 /nfs/dbraw/zinc/41/73/97/573417397.db2.gz KWASDPUGALVMBH-NKWVEPMBSA-N 0 0 173.281 1.264 10 0 ADAERN COc1cc(N)nc(C(F)F)c1O 238383629 573417419 /nfs/dbraw/zinc/41/74/19/573417419.db2.gz TUSKDMJEWBXHQF-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CC(C)[C@@H]1C(=O)CCCN1C 107220284 573417436 /nfs/dbraw/zinc/41/74/36/573417436.db2.gz GVWVZGVAQVBRKJ-SECBINFHSA-N 0 0 155.241 1.306 10 0 ADAERN CCCc1nnc2n1C[C@@H](C)CC2 258335251 573417437 /nfs/dbraw/zinc/41/74/37/573417437.db2.gz QLRJNUJJRMDOLA-QMMMGPOBSA-N 0 0 179.267 1.813 10 0 ADAERN COC(=O)N[C@H]1COc2ccccc21 74913122 573417489 /nfs/dbraw/zinc/41/74/89/573417489.db2.gz JUJQUYBFRDKIJP-QMMMGPOBSA-N 0 0 193.202 1.476 10 0 ADAERN COc1nc2c[nH]nc2cc1C 238383252 573417574 /nfs/dbraw/zinc/41/75/74/573417574.db2.gz LJGYZOIHKYGFRB-UHFFFAOYSA-N 0 0 163.180 1.275 10 0 ADAERN CO[C@@H](c1ccc(C)cc1)[C@@H](O)CO 308580569 573417582 /nfs/dbraw/zinc/41/75/82/573417582.db2.gz JQHPWCVXZNUATP-QWRGUYRKSA-N 0 0 196.246 1.036 10 0 ADAERN N[C@H](c1nc(C2CCC2)no1)C1CC1 83126278 573417624 /nfs/dbraw/zinc/41/76/24/573417624.db2.gz YZFIPGYIEZCXAC-QMMMGPOBSA-N 0 0 193.250 1.747 10 0 ADAERN Cc1cc(O)c([C@@H](C)O)c(C)c1O 238382873 573417677 /nfs/dbraw/zinc/41/76/77/573417677.db2.gz CAVKIIZICNVSPK-SSDOTTSWSA-N 0 0 182.219 1.768 10 0 ADAERN COC(=O)c1cc(F)n2cncc2c1 238384626 573417691 /nfs/dbraw/zinc/41/76/91/573417691.db2.gz HNYPLYYNWIWDLO-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN C[C@@H]1CC(=O)C(C)(C)N1C 107218116 573417703 /nfs/dbraw/zinc/41/77/03/573417703.db2.gz YWTVVNIHHBVNDL-ZCFIWIBFSA-N 0 0 141.214 1.058 10 0 ADAERN CCC[C@H](C)[C@H](NN)c1ccnn1C 133568339 573417704 /nfs/dbraw/zinc/41/77/04/573417704.db2.gz OVMAIENHBLNQHD-WPRPVWTQSA-N 0 0 196.298 1.361 10 0 ADAERN CS[C@@H](C(N)=O)c1ccc(C)cc1 238383042 573417709 /nfs/dbraw/zinc/41/77/09/573417709.db2.gz QWDHMJJAQRKRCR-SECBINFHSA-N 0 0 195.287 1.884 10 0 ADAERN Cc1cc(N)nc(C2CCC2)n1 83123640 573417731 /nfs/dbraw/zinc/41/77/31/573417731.db2.gz QQVQPSVEKQTSCF-UHFFFAOYSA-N 0 0 163.224 1.635 10 0 ADAERN COc1cc(N)nc(C(F)F)c1F 238383527 573417735 /nfs/dbraw/zinc/41/77/35/573417735.db2.gz ZANSDLSIGDDCGZ-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN COc1nc(Cl)c[nH]c1=S 238384223 573417742 /nfs/dbraw/zinc/41/77/42/573417742.db2.gz ZFZHDIYOFUMORY-UHFFFAOYSA-N 0 0 176.628 1.801 10 0 ADAERN C=Cc1nccc(OC)n1 238383551 573417750 /nfs/dbraw/zinc/41/77/50/573417750.db2.gz UGLQCAQPTOJZRT-UHFFFAOYSA-N 0 0 136.154 1.128 10 0 ADAERN CCCc1nc(NC)ncc1C 642832007 573417751 /nfs/dbraw/zinc/41/77/51/573417751.db2.gz PDWUNMBOLUSJRE-UHFFFAOYSA-N 0 0 164.232 1.523 10 0 ADAERN Cc1ccc([S@@](C)=O)c([C@@H](C)O)c1 238384109 573417758 /nfs/dbraw/zinc/41/77/58/573417758.db2.gz HYMCMSHGYPCJQH-AMIZOPFISA-N 0 0 198.287 1.786 10 0 ADAERN CCOC[C@H]([NH3+])c1cncc(OC)c1 124306528 573417776 /nfs/dbraw/zinc/41/77/76/573417776.db2.gz SSPVXPKDGDGBBS-JTQLQIEISA-N 0 0 196.250 1.127 10 0 ADAERN COc1ccnc(CO)c1C(F)F 238384325 573417837 /nfs/dbraw/zinc/41/78/37/573417837.db2.gz VLBHOJWRXXVGCJ-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN Cc1noc([C@@H]2CCCOC2)c1N 257810724 573417857 /nfs/dbraw/zinc/41/78/57/573417857.db2.gz AQQTTZASVGYZKE-SSDOTTSWSA-N 0 0 182.223 1.459 10 0 ADAERN c1nscc1OC[C@@H]1CCOC1 258335925 573417888 /nfs/dbraw/zinc/41/78/88/573417888.db2.gz DVXCVOXSTGZKKR-SSDOTTSWSA-N 0 0 185.248 1.558 10 0 ADAERN COC1(OC)CCCc2cc[nH]c21 238384181 573417912 /nfs/dbraw/zinc/41/79/12/573417912.db2.gz BAJBWCSIFLTPRC-UHFFFAOYSA-N 0 0 181.235 1.797 10 0 ADAERN CC(C)OCNC(=O)c1ccco1 238195383 573417920 /nfs/dbraw/zinc/41/79/20/573417920.db2.gz UPVBUGCWSNTBCW-UHFFFAOYSA-N 0 0 183.207 1.392 10 0 ADAERN CCc1cc(NN)[nH+]c(C2CCC2)n1 83136281 573417944 /nfs/dbraw/zinc/41/79/44/573417944.db2.gz BMZJCAGXBSMKME-UHFFFAOYSA-N 0 0 192.266 1.592 10 0 ADAERN C[C@@H](O)CCCOc1cccc(N)c1 308580332 573418003 /nfs/dbraw/zinc/41/80/03/573418003.db2.gz OVTWQWZVKDUJDA-SECBINFHSA-N 0 0 195.262 1.809 10 0 ADAERN Clc1n[nH]c2c1COC2 107218526 573418007 /nfs/dbraw/zinc/41/80/07/573418007.db2.gz SBUDBGWACNNWQF-UHFFFAOYSA-N 0 0 144.561 1.093 10 0 ADAERN Cc1ccc(OCCCCO)c(N)n1 50441060 573421999 /nfs/dbraw/zinc/42/19/99/573421999.db2.gz HVPPGCQFDQKNAM-UHFFFAOYSA-N 0 0 196.250 1.124 10 0 ADAERN c1ccn2nc([C@@H]3CCCO3)nc2c1 258019641 573422023 /nfs/dbraw/zinc/42/20/23/573422023.db2.gz RNYSGUOPSJEWAB-QMMMGPOBSA-N 0 0 189.218 1.581 10 0 ADAERN CCOCc1nc2c(N)cccc2o1 83137856 573422040 /nfs/dbraw/zinc/42/20/40/573422040.db2.gz LZGKUQKCMUUKTH-UHFFFAOYSA-N 0 0 192.218 1.947 10 0 ADAERN COC(OC)C(=O)c1ccccc1C 86443538 573422052 /nfs/dbraw/zinc/42/20/52/573422052.db2.gz YZFIBZPUGCDXGV-UHFFFAOYSA-N 0 0 194.230 1.797 10 0 ADAERN COC(=O)[C@@](C)(F)c1cccc(O)c1 257810820 573422060 /nfs/dbraw/zinc/42/20/60/573422060.db2.gz ASEAROPZXKZBNQ-JTQLQIEISA-N 0 0 198.193 1.750 10 0 ADAERN CSC[C@@H](CO)C1CCC1 258025818 573422067 /nfs/dbraw/zinc/42/20/67/573422067.db2.gz ANDGWGRPPHSLPT-MRVPVSSYSA-N 0 0 160.282 1.758 10 0 ADAERN O[C@@H](c1ccco1)C(F)F 83141943 573422091 /nfs/dbraw/zinc/42/20/91/573422091.db2.gz DJZTTYPDUPOJHY-YFKPBYRVSA-N 0 0 148.108 1.578 10 0 ADAERN C[C@@H](O)c1cnc([C@H]2CCSC2)o1 258026641 573421398 /nfs/dbraw/zinc/42/13/98/573421398.db2.gz JTTZVGJQEBTJCA-RQJHMYQMSA-N 0 0 199.275 1.948 10 0 ADAERN CS[C@@H](CO)C(C)C 238385332 573421427 /nfs/dbraw/zinc/42/14/27/573421427.db2.gz IHVBKANROVHTKQ-LURJTMIESA-N 0 0 134.244 1.366 10 0 ADAERN COc1cc(N=O)c(C)cc1N 238385195 573421438 /nfs/dbraw/zinc/42/14/38/573421438.db2.gz LTONFDJMKLYCSD-UHFFFAOYSA-N 0 0 166.180 1.984 10 0 ADAERN C[C@@H]1SCc2c1[nH][nH]c2=O 107220377 573421468 /nfs/dbraw/zinc/42/14/68/573421468.db2.gz CWWWBEOWCOYHTK-VKHMYHEASA-N 0 0 156.210 1.423 10 0 ADAERN CCC1(CO)CCCC1 83137830 573421472 /nfs/dbraw/zinc/42/14/72/573421472.db2.gz GLJSDRXLFVQXQU-UHFFFAOYSA-N 0 0 128.215 1.949 10 0 ADAERN CO[C@@]12CCC[C@@]1(C)C(=O)CC2 238385178 573421479 /nfs/dbraw/zinc/42/14/79/573421479.db2.gz AOAWTKZCUHIENL-VHSXEESVSA-N 0 0 168.236 1.925 10 0 ADAERN CC(C)CC(=O)N(C)C(C)(C)CO 133642660 573421481 /nfs/dbraw/zinc/42/14/81/573421481.db2.gz HQPWDNPSSSXRPY-UHFFFAOYSA-N 0 0 187.283 1.262 10 0 ADAERN c1ccn2nc([C@H]3CCCO3)nc2c1 258019633 573421486 /nfs/dbraw/zinc/42/14/86/573421486.db2.gz RNYSGUOPSJEWAB-MRVPVSSYSA-N 0 0 189.218 1.581 10 0 ADAERN COC(=O)c1ccc(C)n2cncc12 238385474 573421488 /nfs/dbraw/zinc/42/14/88/573421488.db2.gz RBVBEBOCWORWEC-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CN(C=O)Cc1ccc(F)cc1F 83144963 573421490 /nfs/dbraw/zinc/42/14/90/573421490.db2.gz KOWCWZDDSMDHNR-UHFFFAOYSA-N 0 0 185.173 1.553 10 0 ADAERN CCOC(=O)Nc1ccnc(C)c1 74932081 573421505 /nfs/dbraw/zinc/42/15/05/573421505.db2.gz UEPCFZSBKYHJDN-UHFFFAOYSA-N 0 0 180.207 1.958 10 0 ADAERN CCN(C=O)Cc1cccs1 83144980 573421509 /nfs/dbraw/zinc/42/15/09/573421509.db2.gz GNCYZGNZFFQSHI-UHFFFAOYSA-N 0 0 169.249 1.726 10 0 ADAERN Clc1n[nH]c2c1COCC2 107221080 573421516 /nfs/dbraw/zinc/42/15/16/573421516.db2.gz JHHHACXWTCYOQP-UHFFFAOYSA-N 0 0 158.588 1.136 10 0 ADAERN Cn1nc2c(c1Cl)COC2 107221076 573421522 /nfs/dbraw/zinc/42/15/22/573421522.db2.gz XEVVZERJCOPIMG-UHFFFAOYSA-N 0 0 158.588 1.104 10 0 ADAERN C[C@@H]1CCc2oc(CN)nc2C1 107221833 573421543 /nfs/dbraw/zinc/42/15/43/573421543.db2.gz DIJTVBSRMSFZCD-ZCFIWIBFSA-N 0 0 166.224 1.258 10 0 ADAERN C[C@@H]1CCC2=C(CCC(=O)N2)C1 238399333 573421546 /nfs/dbraw/zinc/42/15/46/573421546.db2.gz DALIDPLCCDLQFE-SSDOTTSWSA-N 0 0 165.236 1.971 10 0 ADAERN Nc1ccc2cc(Cl)ccn2c1=O 258025194 573421550 /nfs/dbraw/zinc/42/15/50/573421550.db2.gz IFOMCWGKBCSRBX-UHFFFAOYSA-N 0 0 194.621 1.535 10 0 ADAERN COc1c(CNO)cc(C)c(O)c1C 214882474 573421558 /nfs/dbraw/zinc/42/15/58/573421558.db2.gz QCMBPJKVBSIMRZ-UHFFFAOYSA-N 0 0 197.234 1.496 10 0 ADAERN ONCc1ccccc1C1COC1 258024404 573421559 /nfs/dbraw/zinc/42/15/59/573421559.db2.gz OJHUYOWYWLHODH-UHFFFAOYSA-N 0 0 179.219 1.279 10 0 ADAERN O=C([O-])[C@@H](C[NH+]1CCCCC1)C1CC1 258025848 573421576 /nfs/dbraw/zinc/42/15/76/573421576.db2.gz ANFXNRJLNGJKKC-JTQLQIEISA-N 0 0 197.278 1.583 10 0 ADAERN C[C@H](O)[C@H](C)S[C@@H]1CCCC1=O 235593769 573422131 /nfs/dbraw/zinc/42/21/31/573422131.db2.gz NRNYFKOWFOKJMP-ACLDMZEESA-N 0 0 188.292 1.611 10 0 ADAERN Cc1c(N)ncnc1C1CCC1 107221331 573421590 /nfs/dbraw/zinc/42/15/90/573421590.db2.gz UVRHKCQHECIXNB-UHFFFAOYSA-N 0 0 163.224 1.635 10 0 ADAERN COc1c(CCON)ccc(F)c1C 258025557 573421597 /nfs/dbraw/zinc/42/15/97/573421597.db2.gz DXSNUPBRGHOUDS-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN O=Cc1c[nH]c([C@H]2Cc3ccccc32)n1 83137456 573421620 /nfs/dbraw/zinc/42/16/20/573421620.db2.gz YCGSUUZPLUHCAP-NSHDSACASA-N 0 0 198.225 1.910 10 0 ADAERN COC(=O)c1ccc(C)cc1NN 238385321 573421621 /nfs/dbraw/zinc/42/16/21/573421621.db2.gz JUIUNHDRPWPDMP-UHFFFAOYSA-N 0 0 180.207 1.067 10 0 ADAERN COc1ccccc1[C@@H](N)C(F)F 83137828 573421641 /nfs/dbraw/zinc/42/16/41/573421641.db2.gz VDKBTMXIFZXNIH-MRVPVSSYSA-N 0 0 187.189 1.960 10 0 ADAERN C[C@@H]([NH3+])c1nc(-c2nccs2)c[nH]1 83142716 573421659 /nfs/dbraw/zinc/42/16/59/573421659.db2.gz BVEHCYUSLMIJBD-RXMQYKEDSA-N 0 0 194.263 1.553 10 0 ADAERN CC[C@H]1CC[N@H+](CCC(=O)[O-])[C@H]1C 308381239 573421670 /nfs/dbraw/zinc/42/16/70/573421670.db2.gz UUQCKCWVWYYNKB-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)Cc1onc2c1CNC2 107221829 573421679 /nfs/dbraw/zinc/42/16/79/573421679.db2.gz XGFJISTVIPNHCH-UHFFFAOYSA-N 0 0 166.224 1.476 10 0 ADAERN OCc1coc(-c2ccc(O)cc2)n1 258026557 573421690 /nfs/dbraw/zinc/42/16/90/573421690.db2.gz JTDOYMONWMWSBA-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN O=C(OCC(F)(F)F)c1ccoc1 308381208 573421692 /nfs/dbraw/zinc/42/16/92/573421692.db2.gz QOQUNDDTWHWEOU-UHFFFAOYSA-N 0 0 194.108 1.999 10 0 ADAERN Cc1nc2c(Cl)nc(N)nc2o1 258026658 573421696 /nfs/dbraw/zinc/42/16/96/573421696.db2.gz OPDQJJZSUMWKNB-UHFFFAOYSA-N 0 0 184.586 1.162 10 0 ADAERN O=Cc1cccc(N2OCCC2=O)c1 257810843 573421701 /nfs/dbraw/zinc/42/17/01/573421701.db2.gz ASYUZWFXOMDBDO-UHFFFAOYSA-N 0 0 191.186 1.167 10 0 ADAERN Cc1cscc1C(N)=S 86443319 573421742 /nfs/dbraw/zinc/42/17/42/573421742.db2.gz ROFBHCZJXDXYPZ-UHFFFAOYSA-N 0 0 157.263 1.691 10 0 ADAERN CC(C)C(C)(C)ON 78072201 573421743 /nfs/dbraw/zinc/42/17/43/573421743.db2.gz RTIUGICVCPBWDJ-UHFFFAOYSA-N 0 0 117.192 1.311 10 0 ADAERN COC(C)(C)C(=O)OCCC1CC1 308381271 573421749 /nfs/dbraw/zinc/42/17/49/573421749.db2.gz UWBDNOADVFKITR-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)Cc1ccncc1Cl 83138100 573422186 /nfs/dbraw/zinc/42/21/86/573422186.db2.gz UENSVSGDQPIVNN-UHFFFAOYSA-N 0 0 169.611 1.867 10 0 ADAERN O=Cc1c[nH]c([C@@H]2Cc3ccccc32)n1 83137460 573421782 /nfs/dbraw/zinc/42/17/82/573421782.db2.gz YCGSUUZPLUHCAP-LLVKDONJSA-N 0 0 198.225 1.910 10 0 ADAERN C[C@H](c1nc(C2CCC2)no1)[C@@H](C)O 83137065 573421791 /nfs/dbraw/zinc/42/17/91/573421791.db2.gz IMOSDDFVYKGURS-NKWVEPMBSA-N 0 0 196.250 1.821 10 0 ADAERN CC(=O)c1nc(C2CCC2)no1 83136958 573421814 /nfs/dbraw/zinc/42/18/14/573421814.db2.gz CBHPNTOHNSBVIP-UHFFFAOYSA-N 0 0 166.180 1.540 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]1([NH3+])C(=O)[O-] 118707584 573421823 /nfs/dbraw/zinc/42/18/23/573421823.db2.gz QNFVJILUAHVTMA-FJXKBIBVSA-N 0 0 171.240 1.225 10 0 ADAERN Cc1ccccc1N1N[C@@H](C)CC1=O 257810794 573421870 /nfs/dbraw/zinc/42/18/70/573421870.db2.gz AQXUOJVAHKVVRP-VIFPVBQESA-N 0 0 190.246 1.625 10 0 ADAERN CCCC[C@@H]1N=C(NCCC)NC1=O 133645807 573421877 /nfs/dbraw/zinc/42/18/77/573421877.db2.gz CMZVHFHCYXFTTJ-QMMMGPOBSA-N 0 0 197.282 1.031 10 0 ADAERN C[C@H]1CN(C)c2cc(CCO)ccc21 258031626 573421896 /nfs/dbraw/zinc/42/18/96/573421896.db2.gz KCSCMQZATMQSDU-VIFPVBQESA-N 0 0 191.274 1.775 10 0 ADAERN C[C@H](O)c1cnc([C@H]2CCSC2)o1 258026630 573421910 /nfs/dbraw/zinc/42/19/10/573421910.db2.gz JTTZVGJQEBTJCA-BQBZGAKWSA-N 0 0 199.275 1.948 10 0 ADAERN Cn1[nH]c(=O)c2c1CCCCC2 107221950 573421913 /nfs/dbraw/zinc/42/19/13/573421913.db2.gz ZZMDALXAWXRLBH-UHFFFAOYSA-N 0 0 166.224 1.395 10 0 ADAERN C[C@H]1SCc2c1[nH][nH]c2=O 107220374 573421918 /nfs/dbraw/zinc/42/19/18/573421918.db2.gz CWWWBEOWCOYHTK-GSVOUGTGSA-N 0 0 156.210 1.423 10 0 ADAERN NOCc1ccc(CF)cc1 258024492 573421923 /nfs/dbraw/zinc/42/19/23/573421923.db2.gz OLQABJCRDMDHSL-UHFFFAOYSA-N 0 0 155.172 1.546 10 0 ADAERN C[C@H]1CCCC[C@@H]1N(C)C=O 83144997 573421933 /nfs/dbraw/zinc/42/19/33/573421933.db2.gz SCPLVKJYJFOEAF-IUCAKERBSA-N 0 0 155.241 1.653 10 0 ADAERN Cc1ccc(CN(C)C=O)c(C)c1 83144981 573421947 /nfs/dbraw/zinc/42/19/47/573421947.db2.gz ZFERMOTVHWSPGX-UHFFFAOYSA-N 0 0 177.247 1.892 10 0 ADAERN C[C@@H](CO)c1ccc2c[nH]nc2c1 258024500 573421948 /nfs/dbraw/zinc/42/19/48/573421948.db2.gz OLWBHYZKICRQIU-ZETCQYMHSA-N 0 0 176.219 1.659 10 0 ADAERN C[C@@H](O)Cc1nc(C2CCC2)no1 83137052 573421968 /nfs/dbraw/zinc/42/19/68/573421968.db2.gz LDYWETZSKFOPDU-ZCFIWIBFSA-N 0 0 182.223 1.260 10 0 ADAERN CC(=O)Nc1ccc(C)c(NC=O)c1 83145409 573427062 /nfs/dbraw/zinc/42/70/62/573427062.db2.gz HBEOBSINSCLSRP-UHFFFAOYSA-N 0 0 192.218 1.522 10 0 ADAERN COC(=O)c1ccc(N)c([C@@H](C)[NH3+])c1 238392814 573427066 /nfs/dbraw/zinc/42/70/66/573427066.db2.gz YLKXSUQCYVSDNA-ZCFIWIBFSA-N 0 0 194.234 1.075 10 0 ADAERN Cc1ccc(Cl)c(C(N)=O)c1N 144177141 573427073 /nfs/dbraw/zinc/42/70/73/573427073.db2.gz WAFBGSKOKBDYCN-UHFFFAOYSA-N 0 0 184.626 1.330 10 0 ADAERN COC(=O)c1cccc(NC=O)c1C 83145149 573427075 /nfs/dbraw/zinc/42/70/75/573427075.db2.gz QMERSXFBUPVBBO-UHFFFAOYSA-N 0 0 193.202 1.350 10 0 ADAERN CN(C=O)C1CCCCCC1 83145834 573427082 /nfs/dbraw/zinc/42/70/82/573427082.db2.gz BIOUTIXSZMOVRN-UHFFFAOYSA-N 0 0 155.241 1.797 10 0 ADAERN COC(=O)c1ccc(N)cc1[S-] 238393146 573427085 /nfs/dbraw/zinc/42/70/85/573427085.db2.gz PLVAHNLTNBFSJV-UHFFFAOYSA-N 0 0 183.232 1.344 10 0 ADAERN NOCc1cccc2c1COCC2 258026766 573426294 /nfs/dbraw/zinc/42/62/94/573426294.db2.gz ORDUSBVVTFFFTJ-UHFFFAOYSA-N 0 0 179.219 1.150 10 0 ADAERN O=CN1CC[C@@H]2CCCC[C@H]2C1 83145836 573426299 /nfs/dbraw/zinc/42/62/99/573426299.db2.gz IUBQDJAXNCLFHP-UWVGGRQHSA-N 0 0 167.252 1.655 10 0 ADAERN C/C=C\CCNC(=O)CCOCCC 308382315 573426304 /nfs/dbraw/zinc/42/63/04/573426304.db2.gz WWPAHLGJKIHFAZ-HYXAFXHYSA-N 0 0 199.294 1.886 10 0 ADAERN Cc1cn2c(C)c(CCO)sc2n1 144128393 573426313 /nfs/dbraw/zinc/42/63/13/573426313.db2.gz VLLOWLZVKZTKQK-UHFFFAOYSA-N 0 0 196.275 1.547 10 0 ADAERN COc1ccc(NC=O)cc1F 83145672 573426314 /nfs/dbraw/zinc/42/63/14/573426314.db2.gz QFWHXUNWUJBMOL-UHFFFAOYSA-N 0 0 169.155 1.403 10 0 ADAERN COC(=O)[C@@]1(C)C=CCC(CO)=C1 238391075 573426316 /nfs/dbraw/zinc/42/63/16/573426316.db2.gz JLJUQGBZUVGESP-JTQLQIEISA-N 0 0 182.219 1.044 10 0 ADAERN O=CNc1cnc2ccccc2c1 83145815 573426320 /nfs/dbraw/zinc/42/63/20/573426320.db2.gz OMFCKPHCFZLGSQ-UHFFFAOYSA-N 0 0 172.187 1.803 10 0 ADAERN O=CNc1ccccc1-n1cccn1 83145126 573426331 /nfs/dbraw/zinc/42/63/31/573426331.db2.gz CHXQYDXVAZVMPZ-UHFFFAOYSA-N 0 0 187.202 1.441 10 0 ADAERN C[C@@H](O)[C@@H]1CN(C)c2cccc(F)c21 258029320 573426337 /nfs/dbraw/zinc/42/63/37/573426337.db2.gz KAIKYHSVNIQMNW-SFYZADRCSA-N 0 0 195.237 1.740 10 0 ADAERN O=CN1CC[C@H]2CCCC[C@@H]2C1 83145837 573426338 /nfs/dbraw/zinc/42/63/38/573426338.db2.gz IUBQDJAXNCLFHP-NXEZZACHSA-N 0 0 167.252 1.655 10 0 ADAERN O=CN1CCC[C@H]2CCCC[C@@H]21 83145842 573426349 /nfs/dbraw/zinc/42/63/49/573426349.db2.gz GEKISUNTQZGQPY-ZJUUUORDSA-N 0 0 167.252 1.797 10 0 ADAERN O=CN[C@@H]1CCSc2ccccc21 83145413 573426369 /nfs/dbraw/zinc/42/63/69/573426369.db2.gz ZBINVAZIGDHDPK-SECBINFHSA-N 0 0 193.271 1.970 10 0 ADAERN C[C@@H](O)c1cnc(C2CCOCC2)o1 258029036 573426370 /nfs/dbraw/zinc/42/63/70/573426370.db2.gz JVHRYZJFFKVJKQ-SSDOTTSWSA-N 0 0 197.234 1.622 10 0 ADAERN COc1c(O)cc(CCO)c(C)c1C 258030184 573426373 /nfs/dbraw/zinc/42/63/73/573426373.db2.gz IWFFKNBZCKWYIR-UHFFFAOYSA-N 0 0 196.246 1.552 10 0 ADAERN O=CNc1ccc(OC(F)F)cc1 83145674 573426387 /nfs/dbraw/zinc/42/63/87/573426387.db2.gz MJYGVDFUJSOYQI-UHFFFAOYSA-N 0 0 187.145 1.856 10 0 ADAERN COC(=O)c1ccc(F)c2cncn12 238390669 573426389 /nfs/dbraw/zinc/42/63/89/573426389.db2.gz WMBJGXNPHOIGLN-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN COC[C@@H](O)c1cc(C)co1 715805303 573426392 /nfs/dbraw/zinc/42/63/92/573426392.db2.gz AXXFKSQKNLYDDE-SSDOTTSWSA-N 0 0 156.181 1.268 10 0 ADAERN CSc1ccccc1NC=O 83145789 573426394 /nfs/dbraw/zinc/42/63/94/573426394.db2.gz NYKPAWOOYJNMRI-UHFFFAOYSA-N 0 0 167.233 1.977 10 0 ADAERN CC(C)NC(=O)c1ccccc1CO 144167380 573426397 /nfs/dbraw/zinc/42/63/97/573426397.db2.gz XAOCZWQAXIYIQZ-UHFFFAOYSA-N 0 0 193.246 1.317 10 0 ADAERN O=CNC1CCC(C(F)(F)F)CC1 83145321 573426404 /nfs/dbraw/zinc/42/64/04/573426404.db2.gz OWJMHICRCUTRDR-UHFFFAOYSA-N 0 0 195.184 1.854 10 0 ADAERN CCc1cc(=O)nc(NC(C)C)[nH]1 144173715 573426409 /nfs/dbraw/zinc/42/64/09/573426409.db2.gz CAGBGDALUQQMGP-UHFFFAOYSA-N 0 0 181.239 1.153 10 0 ADAERN CC[C@@H](C)CNC(=O)C(C)C 78317718 573426425 /nfs/dbraw/zinc/42/64/25/573426425.db2.gz RBJFZDGVYQZYTD-MRVPVSSYSA-N 0 0 157.257 1.805 10 0 ADAERN CN(C=O)Cc1cccc(Cl)c1 83145785 573426434 /nfs/dbraw/zinc/42/64/34/573426434.db2.gz AHTXCXGFTIVIKM-UHFFFAOYSA-N 0 0 183.638 1.928 10 0 ADAERN CC(=O)Nc1cc(NC=O)ccc1F 83145740 573426443 /nfs/dbraw/zinc/42/64/43/573426443.db2.gz HIVSUHBBZDLYJI-UHFFFAOYSA-N 0 0 196.181 1.352 10 0 ADAERN C[C@H]1CCCN(CCCCCO)C1=O 133764344 573426447 /nfs/dbraw/zinc/42/64/47/573426447.db2.gz BAWOBYKWDLWXPE-JTQLQIEISA-N 0 0 199.294 1.408 10 0 ADAERN CS[C@@]1(C)C[C@H](C)OC(=O)N1 238391209 573426455 /nfs/dbraw/zinc/42/64/55/573426455.db2.gz YGNQSUASEVMBMS-FSPLSTOPSA-N 0 0 175.253 1.584 10 0 ADAERN CNC(=O)Nc1ccc(NC=O)cc1 83145429 573426465 /nfs/dbraw/zinc/42/64/65/573426465.db2.gz TVWPEJHEZRRZHJ-UHFFFAOYSA-N 0 0 193.206 1.006 10 0 ADAERN C[C@H](O)[C@H]1CN(C)c2cccc(F)c21 258029318 573426466 /nfs/dbraw/zinc/42/64/66/573426466.db2.gz KAIKYHSVNIQMNW-JGVFFNPUSA-N 0 0 195.237 1.740 10 0 ADAERN Cc1ccc(CN(C)C=O)o1 83145663 573426473 /nfs/dbraw/zinc/42/64/73/573426473.db2.gz KJZJMILFTRIPFC-UHFFFAOYSA-N 0 0 153.181 1.176 10 0 ADAERN CCN(C=O)Cc1ccco1 83145364 573426482 /nfs/dbraw/zinc/42/64/82/573426482.db2.gz IELTYXHOTLIRFR-UHFFFAOYSA-N 0 0 153.181 1.258 10 0 ADAERN CC(C)[C@@H](O)C(=O)c1cccs1 224116524 573426483 /nfs/dbraw/zinc/42/64/83/573426483.db2.gz KMMOGBPIKPMNPM-MRVPVSSYSA-N 0 0 184.260 1.948 10 0 ADAERN O=CN[C@@H]1CCc2ccccc2C1 83145880 573426489 /nfs/dbraw/zinc/42/64/89/573426489.db2.gz YWGDWQFNHZUURZ-LLVKDONJSA-N 0 0 175.231 1.290 10 0 ADAERN Nc1nnccc1[C@@H]1CCCC[C@@H]1O 144120088 573426497 /nfs/dbraw/zinc/42/64/97/573426497.db2.gz QJIPVKKGVBYESQ-CBAPKCEASA-N 0 0 193.250 1.077 10 0 ADAERN CC(C)[C@H](O)C/C=C/[C@H]1C=COCO1 238210513 573426499 /nfs/dbraw/zinc/42/64/99/573426499.db2.gz TWDQECKUMRLFGU-MJKAUQOVSA-N 0 0 198.262 1.836 10 0 ADAERN CN1CNC=C1[C@H](O)c1ccccc1 144265681 573426511 /nfs/dbraw/zinc/42/65/11/573426511.db2.gz BLLDWWDDIPMPRM-LLVKDONJSA-N 0 0 190.246 1.054 10 0 ADAERN Oc1ccc([C@@]2(O)CCSC2)cc1 257811539 573426526 /nfs/dbraw/zinc/42/65/26/573426526.db2.gz BEUUMHFTOVPHRN-SNVBAGLBSA-N 0 0 196.271 1.717 10 0 ADAERN O=Cc1n[nH]nc1C1CCCC1 258650148 573426530 /nfs/dbraw/zinc/42/65/30/573426530.db2.gz ZNENRPPIVOWIQD-UHFFFAOYSA-N 0 0 165.196 1.275 10 0 ADAERN NOCc1cccc2cnsc12 258026717 573426543 /nfs/dbraw/zinc/42/65/43/573426543.db2.gz OQACSOSGFHPDPT-UHFFFAOYSA-N 0 0 180.232 1.687 10 0 ADAERN CCCN(C=O)CC1CC1 83145751 573426546 /nfs/dbraw/zinc/42/65/46/573426546.db2.gz WPLOMAAOHXLFSG-UHFFFAOYSA-N 0 0 141.214 1.265 10 0 ADAERN O=CNc1ccc2c(c1)OCCO2 83145704 573426554 /nfs/dbraw/zinc/42/65/54/573426554.db2.gz XDJPLLAZSDCAQJ-UHFFFAOYSA-N 0 0 179.175 1.026 10 0 ADAERN CC[C@@H]1CC(=O)NCCS1 144154641 573426558 /nfs/dbraw/zinc/42/65/58/573426558.db2.gz LDTMHFLNHKASRK-ZCFIWIBFSA-N 0 0 159.254 1.018 10 0 ADAERN O=CNc1cc(F)cc(F)c1F 83145909 573426584 /nfs/dbraw/zinc/42/65/84/573426584.db2.gz FSLNLRXVSPNFRM-UHFFFAOYSA-N 0 0 175.109 1.672 10 0 ADAERN CC[C@H](C(N)=O)c1cc(O)ccc1O 144136076 573426599 /nfs/dbraw/zinc/42/65/99/573426599.db2.gz WDLNVZMTDGMHAD-ZETCQYMHSA-N 0 0 195.218 1.077 10 0 ADAERN NC(=O)c1ccc(NC=O)cc1Cl 83145355 573426605 /nfs/dbraw/zinc/42/66/05/573426605.db2.gz LXQRBXBGLJTPMV-UHFFFAOYSA-N 0 0 198.609 1.007 10 0 ADAERN COC(=O)/C=C1\CC[C@@H](C)OC1 401881233 573426609 /nfs/dbraw/zinc/42/66/09/573426609.db2.gz NZPRHWSUANWTPO-KBUNYLKBSA-N 0 0 170.208 1.285 10 0 ADAERN Nc1cc([C@H]2CCCC[C@@H]2O)ccn1 144178935 573426612 /nfs/dbraw/zinc/42/66/12/573426612.db2.gz YYBLMJAFMQJVOY-ZJUUUORDSA-N 0 0 192.262 1.682 10 0 ADAERN Cc1ccc(NC=O)c(F)c1 83145676 573426613 /nfs/dbraw/zinc/42/66/13/573426613.db2.gz NFRRLPLCDFTNJZ-UHFFFAOYSA-N 0 0 153.156 1.702 10 0 ADAERN CC(C)n1c(N)c[nH]c1=S 258028978 573426615 /nfs/dbraw/zinc/42/66/15/573426615.db2.gz DOLYLKRURKHBSH-UHFFFAOYSA-N 0 0 157.242 1.335 10 0 ADAERN Cc1nn(C(C)C)c(C)c1NC=O 83145573 573426625 /nfs/dbraw/zinc/42/66/25/573426625.db2.gz HRGVOUNCMBCKAS-UHFFFAOYSA-N 0 0 181.239 1.649 10 0 ADAERN CC(C)CC[C@H](C)NC=O 83145811 573426632 /nfs/dbraw/zinc/42/66/32/573426632.db2.gz CPXDHJLSZICHOQ-QMMMGPOBSA-N 0 0 143.230 1.557 10 0 ADAERN COc1cccc2c1C[C@@H]([C@H](C)O)O2 258028964 573426636 /nfs/dbraw/zinc/42/66/36/573426636.db2.gz DOHWUBPOBUTCOF-CPCISQLKSA-N 0 0 194.230 1.380 10 0 ADAERN O=CN1CCC[C@@H](C(F)(F)F)C1 83145572 573426640 /nfs/dbraw/zinc/42/66/40/573426640.db2.gz QPYNKVPEYMQLLR-ZCFIWIBFSA-N 0 0 181.157 1.417 10 0 ADAERN CCC1=[NH+][C@@H]2CC[C@@H](C(=O)[O-])C[C@@H]2N1 258028740 573426653 /nfs/dbraw/zinc/42/66/53/573426653.db2.gz QIYMJXXQXKWIHL-PRJMDXOYSA-N 0 0 196.250 1.020 10 0 ADAERN N/C=C/c1cccs1 224113545 573426666 /nfs/dbraw/zinc/42/66/66/573426666.db2.gz PDWJNGHGJTUCOA-ONEGZZNKSA-N 0 0 125.196 1.678 10 0 ADAERN CC(C)[C@H](O)COCC(F)F 133797644 573426688 /nfs/dbraw/zinc/42/66/88/573426688.db2.gz TWMPETQEAXLTRT-ZCFIWIBFSA-N 0 0 168.183 1.285 10 0 ADAERN Nc1cccc2[nH]cc(F)c12 259446333 573426690 /nfs/dbraw/zinc/42/66/90/573426690.db2.gz PLXJFANLZIFJKI-UHFFFAOYSA-N 0 0 150.156 1.889 10 0 ADAERN COC(=O)c1cc(F)ccc1NC=O 83145352 573426705 /nfs/dbraw/zinc/42/67/05/573426705.db2.gz IJBNHQCSCWXGBB-UHFFFAOYSA-N 0 0 197.165 1.181 10 0 ADAERN CN(C=O)[C@H]1CCc2ccccc21 83145739 573426733 /nfs/dbraw/zinc/42/67/33/573426733.db2.gz NSNUEUAKXRIXBX-NSHDSACASA-N 0 0 175.231 1.762 10 0 ADAERN O=CNc1ccc(-c2cnco2)cc1 83145547 573426736 /nfs/dbraw/zinc/42/67/36/573426736.db2.gz IUDFVSHFWPQWAX-UHFFFAOYSA-N 0 0 188.186 1.910 10 0 ADAERN CCOc1cc(F)ccc1NC=O 83145319 573426753 /nfs/dbraw/zinc/42/67/53/573426753.db2.gz GDINZPCWHJJEIK-UHFFFAOYSA-N 0 0 183.182 1.793 10 0 ADAERN C[C@@H](O)c1cccn1Cn1cccc1 238392106 573426764 /nfs/dbraw/zinc/42/67/64/573426764.db2.gz YEIVCHBZRYPOQU-SNVBAGLBSA-N 0 0 190.246 1.849 10 0 ADAERN C[C@H](NC=O)c1ccc(F)cc1F 83145192 573426777 /nfs/dbraw/zinc/42/67/77/573426777.db2.gz SPKBVKAURKYAKG-LURJTMIESA-N 0 0 185.173 1.772 10 0 ADAERN COc1cc(C=O)c2onc(C)c2c1 259446260 573426794 /nfs/dbraw/zinc/42/67/94/573426794.db2.gz PIWXPBSETJMIMX-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN CC(=O)CC(=O)N[C@@H](C)CC(F)F 308389092 573426809 /nfs/dbraw/zinc/42/68/09/573426809.db2.gz WYYKUPKRNFIZRU-YFKPBYRVSA-N 0 0 193.193 1.125 10 0 ADAERN O=CN[C@@H]1CCCC[C@@H]1C(F)(F)F 83145325 573426812 /nfs/dbraw/zinc/42/68/12/573426812.db2.gz CIXDXUGIXRYISA-NKWVEPMBSA-N 0 0 195.184 1.854 10 0 ADAERN CC[C@@H](O)c1cccnc1F 118834797 573426815 /nfs/dbraw/zinc/42/68/15/573426815.db2.gz OGZCIWSSUHWGIX-SSDOTTSWSA-N 0 0 155.172 1.664 10 0 ADAERN C[C@@H](O)CP(C)c1ccccc1 238393286 573426818 /nfs/dbraw/zinc/42/68/18/573426818.db2.gz MQOSWHWYBRYTJZ-PKEIRNPWSA-N 0 0 182.203 1.804 10 0 ADAERN Nc1cccc([C@@H]2NCCCC2=O)c1 257811326 573426819 /nfs/dbraw/zinc/42/68/19/573426819.db2.gz BDZSUKCFWNWLIM-NSHDSACASA-N 0 0 190.246 1.262 10 0 ADAERN C[C@H](O)c1ccc(F)cc1C=O 258028773 573426831 /nfs/dbraw/zinc/42/68/31/573426831.db2.gz OXVTYHMIXBGGMJ-LURJTMIESA-N 0 0 168.167 1.692 10 0 ADAERN CCCC[C@H](CC)CNC=O 83145040 573426834 /nfs/dbraw/zinc/42/68/34/573426834.db2.gz FYAPFJUXEXGCIG-VIFPVBQESA-N 0 0 157.257 1.949 10 0 ADAERN CN(C=O)Cc1ccccc1Cl 83145780 573426844 /nfs/dbraw/zinc/42/68/44/573426844.db2.gz ZPMACTIIPRHTPW-UHFFFAOYSA-N 0 0 183.638 1.928 10 0 ADAERN CO[C@@H]1C=CCC[C@]1(C)CO 238393523 573426868 /nfs/dbraw/zinc/42/68/68/573426868.db2.gz PCHGMIAFNLHMSH-RKDXNWHRSA-N 0 0 156.225 1.350 10 0 ADAERN CC(C)[C@@H](O)COCC(F)F 133797840 573426873 /nfs/dbraw/zinc/42/68/73/573426873.db2.gz TWMPETQEAXLTRT-LURJTMIESA-N 0 0 168.183 1.285 10 0 ADAERN C=C1NC(=O)C=C1c1ccc(F)cc1 144120603 573426895 /nfs/dbraw/zinc/42/68/95/573426895.db2.gz KANYSKPDQNITON-UHFFFAOYSA-N 0 0 189.189 1.853 10 0 ADAERN C[C@@H]1CCCN(CCCCO)C1=O 133763293 573426919 /nfs/dbraw/zinc/42/69/19/573426919.db2.gz RWUJPIOYDPQBCV-SECBINFHSA-N 0 0 185.267 1.017 10 0 ADAERN O=CN[C@H]1CCCC[C@H]1C(F)(F)F 83145322 573426930 /nfs/dbraw/zinc/42/69/30/573426930.db2.gz CIXDXUGIXRYISA-RQJHMYQMSA-N 0 0 195.184 1.854 10 0 ADAERN CC(C)[C@@H]1CC(=O)N(CCCCO)C1 133768677 573426931 /nfs/dbraw/zinc/42/69/31/573426931.db2.gz MKHGYWSODSZTDV-SNVBAGLBSA-N 0 0 199.294 1.263 10 0 ADAERN COc1cc(O)c(N)nc1C(F)F 238392304 573426941 /nfs/dbraw/zinc/42/69/41/573426941.db2.gz WICYBAFBFKWGTC-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN O=CNCCc1cc(F)cc(F)c1 83145897 573426948 /nfs/dbraw/zinc/42/69/48/573426948.db2.gz LOPDEZJXYTXFDK-UHFFFAOYSA-N 0 0 185.173 1.253 10 0 ADAERN O=CN1CC[C@H]2CCCC[C@H]2C1 83145838 573426952 /nfs/dbraw/zinc/42/69/52/573426952.db2.gz IUBQDJAXNCLFHP-ZJUUUORDSA-N 0 0 167.252 1.655 10 0 ADAERN COc1cc(O)c(OC)c2c1CCO2 238393049 573426959 /nfs/dbraw/zinc/42/69/59/573426959.db2.gz BPKLYOVQPSVRPU-UHFFFAOYSA-N 0 0 196.202 1.344 10 0 ADAERN O=CN1CCC[C@H](C(F)(F)F)C1 83145571 573426961 /nfs/dbraw/zinc/42/69/61/573426961.db2.gz QPYNKVPEYMQLLR-LURJTMIESA-N 0 0 181.157 1.417 10 0 ADAERN O=CN1CCO[C@H](c2ccccc2)C1 83145516 573426967 /nfs/dbraw/zinc/42/69/67/573426967.db2.gz CPUCOEQIQJRIEP-NSHDSACASA-N 0 0 191.230 1.216 10 0 ADAERN C[C@@H](O)c1ccnc([C@@H](C)O)c1 238392235 573426975 /nfs/dbraw/zinc/42/69/75/573426975.db2.gz IXPKPXBIGFYDAB-RNFRBKRXSA-N 0 0 167.208 1.188 10 0 ADAERN CN(C=O)Cc1ccccc1F 83145501 573426977 /nfs/dbraw/zinc/42/69/77/573426977.db2.gz FJUFJYMXUWOUER-UHFFFAOYSA-N 0 0 167.183 1.414 10 0 ADAERN CSc1ncnc2c1CCCN2 238392648 573426982 /nfs/dbraw/zinc/42/69/82/573426982.db2.gz CBHKTNRZLLNYCG-UHFFFAOYSA-N 0 0 181.264 1.557 10 0 ADAERN Cc1cc(NC=O)ccc1F 83145908 573426984 /nfs/dbraw/zinc/42/69/84/573426984.db2.gz HAYZFDXWIFPTFR-UHFFFAOYSA-N 0 0 153.156 1.702 10 0 ADAERN C[C@H](NC=O)c1ccc2c(c1)OCO2 83145130 573426988 /nfs/dbraw/zinc/42/69/88/573426988.db2.gz FINRPXDOLZAVSY-ZETCQYMHSA-N 0 0 193.202 1.222 10 0 ADAERN C[C@H](NC=O)c1ccc(F)c(F)c1 83145194 573426992 /nfs/dbraw/zinc/42/69/92/573426992.db2.gz KYCDLZNYJRFJIN-LURJTMIESA-N 0 0 185.173 1.772 10 0 ADAERN COc1cccc([C@@H]2CC(N)=NO2)c1 257811524 573426993 /nfs/dbraw/zinc/42/69/93/573426993.db2.gz BEJUPAAYAIKEPA-VIFPVBQESA-N 0 0 192.218 1.429 10 0 ADAERN CCc1cccc(CNOC)c1OC 258027510 573426996 /nfs/dbraw/zinc/42/69/96/573426996.db2.gz IQASFSCKBGFXCH-UHFFFAOYSA-N 0 0 195.262 1.909 10 0 ADAERN O=CNc1cc(F)c(F)cc1F 83145905 573427001 /nfs/dbraw/zinc/42/70/01/573427001.db2.gz WYXWMMDKILBHNH-UHFFFAOYSA-N 0 0 175.109 1.672 10 0 ADAERN C[C@@H](CC(C)(C)C)[C@@H](O)CO 238393082 573427018 /nfs/dbraw/zinc/42/70/18/573427018.db2.gz TWUHFMINHTXLEF-YUMQZZPRSA-N 0 0 160.257 1.412 10 0 ADAERN COC[C@H]1CCOc2cccc(N)c21 257811546 573427025 /nfs/dbraw/zinc/42/70/25/573427025.db2.gz BFOJLKUGVFKPLL-MRVPVSSYSA-N 0 0 193.246 1.781 10 0 ADAERN O=C([O-])C/C=C\CC1CC[NH2+]CC1 258028971 573427027 /nfs/dbraw/zinc/42/70/27/573427027.db2.gz BYSYSDSKDJARIP-UPHRSURJSA-N 0 0 183.251 1.407 10 0 ADAERN CS[C@H](C)C[C@@H]1CNC(=O)C1 238392405 573430539 /nfs/dbraw/zinc/43/05/39/573430539.db2.gz KWASDPUGALVMBH-RQJHMYQMSA-N 0 0 173.281 1.264 10 0 ADAERN C[C@@H]1C(=O)O[C@H](O)C1(C1CC1)C1CC1 238393357 573430545 /nfs/dbraw/zinc/43/05/45/573430545.db2.gz NDMYWHFWDITRPD-LDWIPMOCSA-N 0 0 196.246 1.304 10 0 ADAERN COc1c(Cl)ccc2c1CNC2=O 238392151 573430552 /nfs/dbraw/zinc/43/05/52/573430552.db2.gz YAFLFDZLDMRAGM-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN Cc1ccc(-n2cc(N)nn2)c(F)c1 86454162 573430573 /nfs/dbraw/zinc/43/05/73/573430573.db2.gz FITIJUJGUZGDRO-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN Cn1ccc(CC(=O)NC(C)(C)C)c1 74962677 573430574 /nfs/dbraw/zinc/43/05/74/573430574.db2.gz ZNDHTSWZJIEWEZ-UHFFFAOYSA-N 0 0 194.278 1.482 10 0 ADAERN Cc1cc(F)ccc1-n1cc(N)nn1 86454136 573430577 /nfs/dbraw/zinc/43/05/77/573430577.db2.gz GOEARORKQOPASK-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CO[C@@H]1C(=O)Nc2ccccc21 238392836 573430594 /nfs/dbraw/zinc/43/05/94/573430594.db2.gz BAZMQGPQHXJSCZ-QMMMGPOBSA-N 0 0 163.176 1.326 10 0 ADAERN CC(C)c1nc(CC(N)=O)cs1 144133062 573430595 /nfs/dbraw/zinc/43/05/95/573430595.db2.gz CUZRGZFPYQXZKT-UHFFFAOYSA-N 0 0 184.264 1.294 10 0 ADAERN Nc1cc2scc(N)n2c1 144131860 573430602 /nfs/dbraw/zinc/43/06/02/573430602.db2.gz STYOGOOVFWBPJY-UHFFFAOYSA-N 0 0 153.210 1.165 10 0 ADAERN COc1nc(N)ccc1C(F)F 238392134 573429790 /nfs/dbraw/zinc/42/97/90/573429790.db2.gz GZJZLMLELBFSMY-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN O=CNc1ccc2c(c1)CCC(=O)N2 83145402 573429801 /nfs/dbraw/zinc/42/98/01/573429801.db2.gz HGOLFQDQAVIRRT-UHFFFAOYSA-N 0 0 190.202 1.140 10 0 ADAERN COc1cc2c(cc1O)C(=O)OCC2 238392222 573429806 /nfs/dbraw/zinc/42/98/06/573429806.db2.gz UUGOMCDYBOAXNK-UHFFFAOYSA-N 0 0 194.186 1.114 10 0 ADAERN [NH3+][C@H]1CC[C@H]2CCc3ccccc3N12 257811788 573429808 /nfs/dbraw/zinc/42/98/08/573429808.db2.gz BIIQUZADSDOXAM-ZYHUDNBSSA-N 0 0 188.274 1.886 10 0 ADAERN O=CNc1ccccc1OC(F)F 83145673 573429823 /nfs/dbraw/zinc/42/98/23/573429823.db2.gz CWXYWJPVTJEQNU-UHFFFAOYSA-N 0 0 187.145 1.856 10 0 ADAERN CCC1=[NH+][C@@H]2CC[C@H](C(=O)[O-])C[C@@H]2N1 258028742 573429835 /nfs/dbraw/zinc/42/98/35/573429835.db2.gz QIYMJXXQXKWIHL-RNJXMRFFSA-N 0 0 196.250 1.020 10 0 ADAERN CC(=O)Sc1ccccc1C(N)=O 144126581 573429845 /nfs/dbraw/zinc/42/98/45/573429845.db2.gz TUDIQRXTAPFBLY-UHFFFAOYSA-N 0 0 195.243 1.424 10 0 ADAERN CCCNCc1cnsn1 86454000 573429848 /nfs/dbraw/zinc/42/98/48/573429848.db2.gz BQURPUXVBDAWHK-UHFFFAOYSA-N 0 0 157.242 1.038 10 0 ADAERN O=CNCc1ccccc1F 83145698 573429867 /nfs/dbraw/zinc/42/98/67/573429867.db2.gz HSCJOLWJPZNDGT-UHFFFAOYSA-N 0 0 153.156 1.072 10 0 ADAERN C[C@@H]1[NH2+]CCc2cccc(CO)c21 238393195 573429872 /nfs/dbraw/zinc/42/98/72/573429872.db2.gz WKXBPJMLGADDTQ-QMMMGPOBSA-N 0 0 177.247 1.386 10 0 ADAERN CC[C@@]1(C)CCC(=O)O1 137547759 573429875 /nfs/dbraw/zinc/42/98/75/573429875.db2.gz MJFDQFVZHVJKFU-ZETCQYMHSA-N 0 0 128.171 1.492 10 0 ADAERN C/C=C/CCNC(=O)[C@@]1(C)CCCO1 130029177 573429882 /nfs/dbraw/zinc/42/98/82/573429882.db2.gz AEBNXIZOVFHFLF-PGLGOXFNSA-N 0 0 197.278 1.638 10 0 ADAERN Cc1ccc(NC=O)c(C)c1O 83145422 573429884 /nfs/dbraw/zinc/42/98/84/573429884.db2.gz FFRQBTYAGBCQAN-UHFFFAOYSA-N 0 0 165.192 1.577 10 0 ADAERN OC[C@@]1(O)CCCc2c(F)cccc21 257811852 573429902 /nfs/dbraw/zinc/42/99/02/573429902.db2.gz BKGNUDCMDPMUIH-NSHDSACASA-N 0 0 196.221 1.342 10 0 ADAERN Cc1cc(CON)c(F)cc1O 258026772 573429903 /nfs/dbraw/zinc/42/99/03/573429903.db2.gz ORPVQWQCBOUYIZ-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN COc1ccc(-c2nocc2N)cc1 238392140 573429904 /nfs/dbraw/zinc/42/99/04/573429904.db2.gz PPAYIBJUIVBNJO-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN COc1ccc(F)cc1[C@H](C)NC=O 83145315 573429913 /nfs/dbraw/zinc/42/99/13/573429913.db2.gz JSBUYAMFJFMMQI-ZETCQYMHSA-N 0 0 197.209 1.641 10 0 ADAERN COC(=O)c1cc2ccc(F)nc2[nH]1 238392685 573429929 /nfs/dbraw/zinc/42/99/29/573429929.db2.gz AIGOAXKCXOMMFE-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN C[C@@H](NC=O)c1c(F)cccc1F 83145538 573429937 /nfs/dbraw/zinc/42/99/37/573429937.db2.gz AYGDFTIGECSHPT-ZCFIWIBFSA-N 0 0 185.173 1.772 10 0 ADAERN CS[C@@H](C(C)=O)C(C)C 238391928 573429938 /nfs/dbraw/zinc/42/99/38/573429938.db2.gz DZKZUDXBNHKAEX-SSDOTTSWSA-N 0 0 146.255 1.963 10 0 ADAERN COc1cccc2c1C[C@@H]([C@@H](C)O)O2 258028967 573429969 /nfs/dbraw/zinc/42/99/69/573429969.db2.gz DOHWUBPOBUTCOF-HQJQHLMTSA-N 0 0 194.230 1.380 10 0 ADAERN Nc1cc([C@@H]2CCCC[C@@H]2O)ccn1 144178733 573429978 /nfs/dbraw/zinc/42/99/78/573429978.db2.gz YYBLMJAFMQJVOY-UWVGGRQHSA-N 0 0 192.262 1.682 10 0 ADAERN CC(C)(C)Cc1nc(=O)[nH]o1 258028290 573429985 /nfs/dbraw/zinc/42/99/85/573429985.db2.gz NSWQLLTVYUOOGJ-UHFFFAOYSA-N 0 0 156.185 1.364 10 0 ADAERN C[C@@H](Cc1c(F)cccc1F)NC=O 83145548 573429996 /nfs/dbraw/zinc/42/99/96/573429996.db2.gz GUSZLVBOJUTVCU-ZETCQYMHSA-N 0 0 199.200 1.642 10 0 ADAERN C[C@H](NC=O)c1cc(F)ccc1F 83145122 573430023 /nfs/dbraw/zinc/43/00/23/573430023.db2.gz ROSKYNITJLGDHC-LURJTMIESA-N 0 0 185.173 1.772 10 0 ADAERN Oc1cccc(C(F)(F)[C@@H]2CCN2)c1 257812170 573430028 /nfs/dbraw/zinc/43/00/28/573430028.db2.gz AGTZZAZWAAKLJJ-VIFPVBQESA-N 0 0 199.200 1.846 10 0 ADAERN COc1cc2c(cc1C)[C@@H](O)CC2 238393007 573430034 /nfs/dbraw/zinc/43/00/34/573430034.db2.gz AELVGXWJTLNPGX-JTQLQIEISA-N 0 0 178.231 1.983 10 0 ADAERN COC(=O)Nc1cccc(NC=O)c1 83145550 573430053 /nfs/dbraw/zinc/43/00/53/573430053.db2.gz XYLCRDRJTIHRBW-UHFFFAOYSA-N 0 0 194.190 1.433 10 0 ADAERN CC[C@@H](C)NC(=O)Cc1ccn(C)c1 74962506 573430054 /nfs/dbraw/zinc/43/00/54/573430054.db2.gz FFHIDZTZDRFWMI-SECBINFHSA-N 0 0 194.278 1.482 10 0 ADAERN COc1cccc([C@H](C)O)cc1=O 238392104 573430086 /nfs/dbraw/zinc/43/00/86/573430086.db2.gz OAUYGRZKLRUEPE-ZETCQYMHSA-N 0 0 180.203 1.109 10 0 ADAERN CON(CC(C)C)C(=O)c1ccco1 393664488 573430092 /nfs/dbraw/zinc/43/00/92/573430092.db2.gz FHSQWBXIYDDPKU-UHFFFAOYSA-N 0 0 197.234 1.939 10 0 ADAERN Cc1c(N)cnc2ccc(O)cc12 257812066 573430093 /nfs/dbraw/zinc/43/00/93/573430093.db2.gz BLJPGDQBLAABRB-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN Cc1c(CCON)ccc2c1OCO2 258027698 573430101 /nfs/dbraw/zinc/43/01/01/573430101.db2.gz ISIZVIBUFUAPDW-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN Cc1ncc(CN(C)C=O)s1 83145490 573430102 /nfs/dbraw/zinc/43/01/02/573430102.db2.gz LLIDHTWDYDRSKS-UHFFFAOYSA-N 0 0 170.237 1.040 10 0 ADAERN C[C@H](O)c1ccc(Cl)cc1CO 144170942 573430103 /nfs/dbraw/zinc/43/01/03/573430103.db2.gz LVWVCBRVMUTASX-LURJTMIESA-N 0 0 186.638 1.886 10 0 ADAERN CO[C@H](C)C1CCC(=O)CC1 238392598 573430124 /nfs/dbraw/zinc/43/01/24/573430124.db2.gz QGTPJQNYGSZGFM-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN CCCNC(=O)Cc1ccn(C)c1 74962496 573430126 /nfs/dbraw/zinc/43/01/26/573430126.db2.gz VXQRDFKYGCMVLL-UHFFFAOYSA-N 0 0 180.251 1.094 10 0 ADAERN O=CN1CCO[C@@H](c2ccccc2)C1 83145517 573430137 /nfs/dbraw/zinc/43/01/37/573430137.db2.gz CPUCOEQIQJRIEP-LLVKDONJSA-N 0 0 191.230 1.216 10 0 ADAERN Cc1nc(Cl)c2n1CCN[C@H]2C 238393405 573430141 /nfs/dbraw/zinc/43/01/41/573430141.db2.gz PKHXBKVSNNXIHA-YFKPBYRVSA-N 0 0 185.658 1.509 10 0 ADAERN CC(C)[C@](C[NH3+])(C(=O)[O-])C(F)(F)F 257812456 573430148 /nfs/dbraw/zinc/43/01/48/573430148.db2.gz AKHQKEJACLLJMJ-ZCFIWIBFSA-N 0 0 199.172 1.234 10 0 ADAERN C[C@@H](c1cccs1)N(C)C=O 83145235 573430160 /nfs/dbraw/zinc/43/01/60/573430160.db2.gz LHYDJIUFNKMKCY-ZETCQYMHSA-N 0 0 169.249 1.897 10 0 ADAERN Cc1ccc(N)c2oncc12 259446311 573430175 /nfs/dbraw/zinc/43/01/75/573430175.db2.gz PLARTHUKASZQPZ-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN COc1ccc([S-])c(C)c1O 238393201 573430177 /nfs/dbraw/zinc/43/01/77/573430177.db2.gz GFWCDKOYPBIEMB-UHFFFAOYSA-N 0 0 170.233 1.998 10 0 ADAERN Cc1cc(C)cc(C[C@H](O)[C@H](C)O)c1 235599815 573430186 /nfs/dbraw/zinc/43/01/86/573430186.db2.gz ZNANRCGNWNLGPH-JQWIXIFHSA-N 0 0 194.274 1.588 10 0 ADAERN Nc1cn(-c2c(F)cccc2F)nn1 86454183 573430189 /nfs/dbraw/zinc/43/01/89/573430189.db2.gz HQXIOAIGLDHJQG-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CO[C@H](c1ncc[nH]1)c1ccco1 238392698 573430190 /nfs/dbraw/zinc/43/01/90/573430190.db2.gz DCJVHZIKBKXFHU-QMMMGPOBSA-N 0 0 178.191 1.739 10 0 ADAERN COC[C@H]1CCOc2cc(N)ccc21 257811904 573430197 /nfs/dbraw/zinc/43/01/97/573430197.db2.gz BMTOZOXEMNSZBV-MRVPVSSYSA-N 0 0 193.246 1.781 10 0 ADAERN Cc1ncc([C@@H](C)O)c(C)c1O 238392510 573430199 /nfs/dbraw/zinc/43/01/99/573430199.db2.gz IYFAXSKHHVEXLU-SSDOTTSWSA-N 0 0 167.208 1.457 10 0 ADAERN O=CNc1ccc(N2CCCC2)nc1 83145261 573430201 /nfs/dbraw/zinc/43/02/01/573430201.db2.gz WKRVPVXGOZAADP-UHFFFAOYSA-N 0 0 191.234 1.250 10 0 ADAERN C/C=C/CCNC(=O)C[C@H](C)COC 130028687 573430207 /nfs/dbraw/zinc/43/02/07/573430207.db2.gz RDXQIOZCLDLSRE-YEZKRMTDSA-N 0 0 199.294 1.741 10 0 ADAERN Oc1ccc(C2(O)CCOCC2)cc1 257811810 573430237 /nfs/dbraw/zinc/43/02/37/573430237.db2.gz BIPZYXUWBLLLII-UHFFFAOYSA-N 0 0 194.230 1.390 10 0 ADAERN COC(=O)c1ccc(N)c([C@H](C)[NH3+])c1 238392873 573430241 /nfs/dbraw/zinc/43/02/41/573430241.db2.gz YLKXSUQCYVSDNA-LURJTMIESA-N 0 0 194.234 1.075 10 0 ADAERN Cc1cc(C=O)c(CNO)cc1C 258026742 573430242 /nfs/dbraw/zinc/43/02/42/573430242.db2.gz OQTBFDNYYXPSJF-UHFFFAOYSA-N 0 0 179.219 1.595 10 0 ADAERN Cc1ccc2c(c1O)OC(=O)[C@H]2C 238393461 573430256 /nfs/dbraw/zinc/43/02/56/573430256.db2.gz BWIJVKZBEHEFMJ-LURJTMIESA-N 0 0 178.187 1.723 10 0 ADAERN CC[C@@H](C)NC(=O)Cc1cc[nH]c1 74962881 573430258 /nfs/dbraw/zinc/43/02/58/573430258.db2.gz JNBPKFGSENGUAA-MRVPVSSYSA-N 0 0 180.251 1.472 10 0 ADAERN C[C@@H](NC=O)c1cc(F)ccc1F 83145123 573430271 /nfs/dbraw/zinc/43/02/71/573430271.db2.gz ROSKYNITJLGDHC-ZCFIWIBFSA-N 0 0 185.173 1.772 10 0 ADAERN COC(=O)[C@@]1(C)CC[C@@H]1C(C)=O 238392203 573430272 /nfs/dbraw/zinc/43/02/72/573430272.db2.gz QGRSPILIHLWAOC-APPZFPTMSA-N 0 0 170.208 1.165 10 0 ADAERN NC(=O)c1cnc(-c2ccccc2)cn1 144127414 573430275 /nfs/dbraw/zinc/43/02/75/573430275.db2.gz GQMCQUOAWCUKCF-UHFFFAOYSA-N 0 0 199.213 1.243 10 0 ADAERN CCC1=[NH+][C@@H]2CC[C@@H](C(=O)[O-])C[C@H]2N1 258028732 573430279 /nfs/dbraw/zinc/43/02/79/573430279.db2.gz QIYMJXXQXKWIHL-BWZBUEFSSA-N 0 0 196.250 1.020 10 0 ADAERN C[C@@](F)(CC(=O)[O-])C1CC[NH2+]CC1 257811885 573430284 /nfs/dbraw/zinc/43/02/84/573430284.db2.gz BLZSCRBXXSIPAB-SECBINFHSA-N 0 0 189.230 1.189 10 0 ADAERN CCN(C=O)C1CCCC1 83145728 573430290 /nfs/dbraw/zinc/43/02/90/573430290.db2.gz BLJSCYNCJNLVIF-UHFFFAOYSA-N 0 0 141.214 1.407 10 0 ADAERN O=CNc1cccc(-c2cnco2)c1 83145563 573430299 /nfs/dbraw/zinc/43/02/99/573430299.db2.gz BCNHIASRVDYSBW-UHFFFAOYSA-N 0 0 188.186 1.910 10 0 ADAERN Nc1cc([C@@H]2CCCC[C@H]2O)ccn1 144179162 573430326 /nfs/dbraw/zinc/43/03/26/573430326.db2.gz YYBLMJAFMQJVOY-VHSXEESVSA-N 0 0 192.262 1.682 10 0 ADAERN COc1[nH]c(N)cc(=O)c1C(F)F 238392005 573430340 /nfs/dbraw/zinc/43/03/40/573430340.db2.gz VSKLARYSAMKVRM-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COc1ccc(C)c(C2(O)CC2)c1 258026778 573430346 /nfs/dbraw/zinc/43/03/46/573430346.db2.gz ORZDUHHXNLFUQF-UHFFFAOYSA-N 0 0 178.231 1.985 10 0 ADAERN O=CNc1ccc(-n2cccn2)cc1 83145255 573430365 /nfs/dbraw/zinc/43/03/65/573430365.db2.gz BSOGAMGSIYTRMF-UHFFFAOYSA-N 0 0 187.202 1.441 10 0 ADAERN C[C@@H](O)c1ccccc1[C@@H](C)CO 238391894 573430394 /nfs/dbraw/zinc/43/03/94/573430394.db2.gz FUVQMQZBFBNGPD-DTWKUNHWSA-N 0 0 180.247 1.836 10 0 ADAERN CC[C@H]1C(=O)CCCN1C(C)C 107224355 573430396 /nfs/dbraw/zinc/43/03/96/573430396.db2.gz AXLKXWHMWLNAIR-VIFPVBQESA-N 0 0 169.268 1.838 10 0 ADAERN CCOC(OCC)[C@@H](O)C(C)(C)C 86452829 573430397 /nfs/dbraw/zinc/43/03/97/573430397.db2.gz XKQWXTFFMFPKRG-MRVPVSSYSA-N 0 0 190.283 1.793 10 0 ADAERN COC[C@]1(C)CCCC1=O 238392311 573430399 /nfs/dbraw/zinc/43/03/99/573430399.db2.gz UOACKYLEHGTOPX-QMMMGPOBSA-N 0 0 142.198 1.392 10 0 ADAERN OC[C@]1(O)CCCc2c(F)cccc21 257811851 573430403 /nfs/dbraw/zinc/43/04/03/573430403.db2.gz BKGNUDCMDPMUIH-LLVKDONJSA-N 0 0 196.221 1.342 10 0 ADAERN COC(=O)[C@H]1[C@@H](c2cccnc2)[C@H]1C 259611450 573430405 /nfs/dbraw/zinc/43/04/05/573430405.db2.gz MUOZIKSBRBGZGP-SZEHBUNVSA-N 0 0 191.230 1.604 10 0 ADAERN COc1ccc(CON)c2cc[nH]c12 258027529 573430409 /nfs/dbraw/zinc/43/04/09/573430409.db2.gz IQOFWJMQUZXKJX-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN Cc1ccc(-n2cc(N)nn2)cc1F 86454100 573430418 /nfs/dbraw/zinc/43/04/18/573430418.db2.gz XWZMGNYGGJPQOZ-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN C[C@H]([NH+]1CCCC1)C1(C(=O)[O-])CC1 257812342 573430424 /nfs/dbraw/zinc/43/04/24/573430424.db2.gz BLWGYRRMJHEVCR-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN COc1c(C)cc(C[C@H](C)O)cc1O 258030200 573430426 /nfs/dbraw/zinc/43/04/26/573430426.db2.gz IWPSRQVXMPQQNJ-QMMMGPOBSA-N 0 0 196.246 1.633 10 0 ADAERN C[C@H](O)c1cncc([C@@H](C)O)c1 238392908 573430432 /nfs/dbraw/zinc/43/04/32/573430432.db2.gz TZHYMSJKWBMTHL-KNVOCYPGSA-N 0 0 167.208 1.188 10 0 ADAERN CC(C)(C)NCc1cnsn1 86454004 573430453 /nfs/dbraw/zinc/43/04/53/573430453.db2.gz ARAKDOLGDMQFMH-UHFFFAOYSA-N 0 0 171.269 1.426 10 0 ADAERN COc1cccc([C@H](C)O)c1CO 238392078 573430468 /nfs/dbraw/zinc/43/04/68/573430468.db2.gz KLXLOQKLRNAKGJ-ZETCQYMHSA-N 0 0 182.219 1.241 10 0 ADAERN C[C@H](O)c1cn(C)cc1[C@@H](C)O 238392450 573430503 /nfs/dbraw/zinc/43/05/03/573430503.db2.gz CTTINFKOOQPGFG-KNVOCYPGSA-N 0 0 169.224 1.132 10 0 ADAERN COc1nc(N)cc(C(C)C)n1 107222509 573430511 /nfs/dbraw/zinc/43/05/11/573430511.db2.gz CAJDYEMDMJQRRZ-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN CCO[C@@H](F)C(F)(F)F 118814423 573430518 /nfs/dbraw/zinc/43/05/18/573430518.db2.gz ISSHBUUZSURRBQ-GSVOUGTGSA-N 0 0 146.083 1.881 10 0 ADAERN CC(C)(C)c1onc2c1CCNC2 107227369 573430524 /nfs/dbraw/zinc/43/05/24/573430524.db2.gz RUPYRKYWJLWPJZ-UHFFFAOYSA-N 0 0 180.251 1.618 10 0 ADAERN CC(=O)c1c(C)nc2cccnn12 144151285 573430529 /nfs/dbraw/zinc/43/05/29/573430529.db2.gz XRLOQBSEUXLWDC-UHFFFAOYSA-N 0 0 175.191 1.240 10 0 ADAERN CO[C@@H]1c2ccccc2O[C@H]1O 238392454 573430530 /nfs/dbraw/zinc/43/05/30/573430530.db2.gz YRXBFDPNMDUVLF-RKDXNWHRSA-N 0 0 166.176 1.085 10 0 ADAERN CC1(C)CC(=S)NCCS1 144135238 573430536 /nfs/dbraw/zinc/43/05/36/573430536.db2.gz IXYWWLOSWYZASZ-UHFFFAOYSA-N 0 0 175.322 1.819 10 0 ADAERN CC[C@H]1[C@H](CC(=O)[O-])CCC[N@@H+]1C 107231589 573442131 /nfs/dbraw/zinc/44/21/31/573442131.db2.gz VATGEJQYDDOVFR-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@H]1CCC[C@@H](n2nnnc2N)C1 86457242 573442132 /nfs/dbraw/zinc/44/21/32/573442132.db2.gz ISWCEDMIQZKHFW-JGVFFNPUSA-N 0 0 195.270 1.397 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCCN1Cl 238396474 573442135 /nfs/dbraw/zinc/44/21/35/573442135.db2.gz XJJPQWOJGMUBHA-SFYZADRCSA-N 0 0 177.675 1.766 10 0 ADAERN CO[C@@H]1CCC=C([C@H](O)C(C)C)O1 238397180 573442143 /nfs/dbraw/zinc/44/21/43/573442143.db2.gz WCOLTEGJZCCNAN-VHSXEESVSA-N 0 0 186.251 1.670 10 0 ADAERN OCC1(CC2CCCCC2)COC1 259451311 573442161 /nfs/dbraw/zinc/44/21/61/573442161.db2.gz QLOJXPQCUBNPGT-UHFFFAOYSA-N 0 0 184.279 1.966 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])CC1(C)C 259448821 573442168 /nfs/dbraw/zinc/44/21/68/573442168.db2.gz PBFXPSYBFLIPHZ-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@H]([NH3+])[C@]1(CC(=O)[O-])C[C@H](C)[C@H]1C 308586049 573442178 /nfs/dbraw/zinc/44/21/78/573442178.db2.gz RXRRIXYEYDTFGT-DKIAZLNASA-N 0 0 199.294 1.861 10 0 ADAERN CCCC[C@@H](O)/C=C\[C@H](O)CC 78956899 573442180 /nfs/dbraw/zinc/44/21/80/573442180.db2.gz SFWVCTUEJMJFLE-BUMYOJGDSA-N 0 0 172.268 1.865 10 0 ADAERN Cc1ccc(NC[C@H](C)CO)cc1N 83219509 573442186 /nfs/dbraw/zinc/44/21/86/573442186.db2.gz PZZMMIDSOXGHPA-QMMMGPOBSA-N 0 0 194.278 1.618 10 0 ADAERN c1ccn2c([C@H]3CCCO3)nnc2c1 258023005 573442187 /nfs/dbraw/zinc/44/21/87/573442187.db2.gz RAZFSXPIAWMDDG-MRVPVSSYSA-N 0 0 189.218 1.581 10 0 ADAERN CCCCN1C(=O)[C@H](CC)N[C@H]1C 138076868 573442189 /nfs/dbraw/zinc/44/21/89/573442189.db2.gz ZIRIHIIXLDRREZ-BDAKNGLRSA-N 0 0 184.283 1.343 10 0 ADAERN C[C@@H](C1CCCCC1)n1nnnc1N 86457094 573442198 /nfs/dbraw/zinc/44/21/98/573442198.db2.gz ISFSKGZKOZXXNE-ZETCQYMHSA-N 0 0 195.270 1.397 10 0 ADAERN C[C@H]1C[C@@H](CC(=O)[O-])C[N@@H+]1C1CC1 107230568 573442200 /nfs/dbraw/zinc/44/22/00/573442200.db2.gz WEDGHLGDVRONIJ-YUMQZZPRSA-N 0 0 183.251 1.334 10 0 ADAERN COC(=O)c1c(N)noc1C1CCC1 257811265 573442212 /nfs/dbraw/zinc/44/22/12/573442212.db2.gz BBBZYPWKVGSLCJ-UHFFFAOYSA-N 0 0 196.206 1.311 10 0 ADAERN CC[C@@H]1CCC[C@H](n2nnnc2N)C1 86457239 573442226 /nfs/dbraw/zinc/44/22/26/573442226.db2.gz ISWCEDMIQZKHFW-SFYZADRCSA-N 0 0 195.270 1.397 10 0 ADAERN Cc1ccc(N)cc1NC[C@@H](C)CO 83219438 573442237 /nfs/dbraw/zinc/44/22/37/573442237.db2.gz BBGWKECWNNWHJY-MRVPVSSYSA-N 0 0 194.278 1.618 10 0 ADAERN Cc1cc(N)c(C)c(CCO)c1 83229354 573442246 /nfs/dbraw/zinc/44/22/46/573442246.db2.gz XSOBQLKDMCYRGD-UHFFFAOYSA-N 0 0 165.236 1.420 10 0 ADAERN Cc1ccccc1[C@H](O)[C@@H](C)O 144227178 573442257 /nfs/dbraw/zinc/44/22/57/573442257.db2.gz CZVSLJHNJXYDRH-PSASIEDQSA-N 0 0 166.220 1.409 10 0 ADAERN C[C@H]1C[C@H](CC(=O)[O-])C[N@@H+]1C1CC1 107230561 573442293 /nfs/dbraw/zinc/44/22/93/573442293.db2.gz WEDGHLGDVRONIJ-JGVFFNPUSA-N 0 0 183.251 1.334 10 0 ADAERN CC(C)Cn1nc(N)c2c1COC2 257813428 573442297 /nfs/dbraw/zinc/44/22/97/573442297.db2.gz CAOQIXYHNNLZTL-UHFFFAOYSA-N 0 0 181.239 1.152 10 0 ADAERN C[C@H](CO)CNc1cc(N)cc(F)c1 83219155 573442304 /nfs/dbraw/zinc/44/23/04/573442304.db2.gz APJPKFXMWSXUGJ-ZETCQYMHSA-N 0 0 198.241 1.448 10 0 ADAERN COc1ccc2c(c1C)NC(=O)CC2 238397288 573442321 /nfs/dbraw/zinc/44/23/21/573442321.db2.gz WTNONDWGAJVCIR-UHFFFAOYSA-N 0 0 191.230 1.888 10 0 ADAERN CC[C@H]1CC[C@H](C(=O)OC2CC2)O1 308390512 573442322 /nfs/dbraw/zinc/44/23/22/573442322.db2.gz ZEZCAWVVDXSPQS-IONNQARKSA-N 0 0 184.235 1.650 10 0 ADAERN OCCc1cc(C2CCCC2)no1 83187282 573442325 /nfs/dbraw/zinc/44/23/25/573442325.db2.gz HHABKPKYIUKWEH-UHFFFAOYSA-N 0 0 181.235 1.867 10 0 ADAERN CCCCN1C(=O)[C@H](C)N[C@@H]1CCC 138083415 573442330 /nfs/dbraw/zinc/44/23/30/573442330.db2.gz RSBBWILAUAOZJB-UWVGGRQHSA-N 0 0 198.310 1.733 10 0 ADAERN CO[C@H](C)c1c[nH]c(=S)[nH]c1=O 238396890 573442332 /nfs/dbraw/zinc/44/23/32/573442332.db2.gz HYFXRWMNKYEVPB-SCSAIBSYSA-N 0 0 186.236 1.140 10 0 ADAERN C[C@@]1(O)CNc2cccc(F)c2C1 257813434 573441642 /nfs/dbraw/zinc/44/16/42/573441642.db2.gz CAQIQJZZZQSOFQ-JTQLQIEISA-N 0 0 181.210 1.545 10 0 ADAERN Cc1cc(N)ccc1NC[C@@H](C)CO 83219184 573441651 /nfs/dbraw/zinc/44/16/51/573441651.db2.gz UMBBIHOVJCIYBV-MRVPVSSYSA-N 0 0 194.278 1.618 10 0 ADAERN CCCCN1C(=O)[C@H](CC)N[C@@H]1CC 138063621 573441657 /nfs/dbraw/zinc/44/16/57/573441657.db2.gz PNEMMDUESQVXEF-UWVGGRQHSA-N 0 0 198.310 1.733 10 0 ADAERN CCCCN1C(=O)[C@H](C(C)C)N[C@H]1C 138054274 573442343 /nfs/dbraw/zinc/44/23/43/573442343.db2.gz YSHKEZHTPZTHHA-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN CCC[C@@](C)(F)c1cc(=O)[nH]cn1 144237925 573441681 /nfs/dbraw/zinc/44/16/81/573441681.db2.gz GNTILNLLIWUWIG-SECBINFHSA-N 0 0 184.214 1.755 10 0 ADAERN C[C@H](O)C[C@H]1Cc2ccccc2N1C 258355870 573441682 /nfs/dbraw/zinc/44/16/82/573441682.db2.gz ZTHUYLMACVHEJO-ONGXEEELSA-N 0 0 191.274 1.818 10 0 ADAERN COCC(=O)C(C)(Cl)Cl 238397860 573441710 /nfs/dbraw/zinc/44/17/10/573441710.db2.gz SILOBERAEBEAIC-UHFFFAOYSA-N 0 0 171.023 1.396 10 0 ADAERN CCC(O)(CC)c1cnc(OC)nc1 308585890 573441736 /nfs/dbraw/zinc/44/17/36/573441736.db2.gz MDPUKNJPAOCFPK-UHFFFAOYSA-N 0 0 196.250 1.493 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H]1C 107231611 573441739 /nfs/dbraw/zinc/44/17/39/573441739.db2.gz VISUMLBJRKUMBC-IUCAKERBSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@@H](F)CN(C)Cc1cc[nH]n1 308390572 573441748 /nfs/dbraw/zinc/44/17/48/573441748.db2.gz ZHJLFJXIDSAIQP-MRVPVSSYSA-N 0 0 185.246 1.590 10 0 ADAERN CC(C)[C@@H]1[C@@H](C(=O)[O-])C[C@@H]2CC[C@H]1[NH2+]2 258023327 573441759 /nfs/dbraw/zinc/44/17/59/573441759.db2.gz IDSLHPDSWRPDQF-AXTSPUMRSA-N 0 0 197.278 1.484 10 0 ADAERN CC[C@H]([NH2+][C@H](C)CC(F)F)C(=O)[O-] 308390206 573441765 /nfs/dbraw/zinc/44/17/65/573441765.db2.gz XROXAPYXXYODIK-RITPCOANSA-N 0 0 195.209 1.483 10 0 ADAERN CO[C@H]1CCc2c(O)cccc2C1 238396797 573441767 /nfs/dbraw/zinc/44/17/67/573441767.db2.gz RSQNIVUDZBYGFL-VIFPVBQESA-N 0 0 178.231 1.896 10 0 ADAERN CC[C@H]1CCCC[C@@H]1n1nnnc1N 86456881 573441781 /nfs/dbraw/zinc/44/17/81/573441781.db2.gz OOMXHJKOCZWNSZ-YUMQZZPRSA-N 0 0 195.270 1.397 10 0 ADAERN c1ccc2c(c1)NCC1=NCCN12 257813482 573441803 /nfs/dbraw/zinc/44/18/03/573441803.db2.gz CBKYPEHRQZOVHU-UHFFFAOYSA-N 0 0 173.219 1.331 10 0 ADAERN Cc1ccc(N)cc1NC[C@H](C)CO 83219440 573441816 /nfs/dbraw/zinc/44/18/16/573441816.db2.gz BBGWKECWNNWHJY-QMMMGPOBSA-N 0 0 194.278 1.618 10 0 ADAERN Clc1ccccc1[C@@H]1CCNN1 257813570 573441828 /nfs/dbraw/zinc/44/18/28/573441828.db2.gz CDWPFROYXMQSIO-VIFPVBQESA-N 0 0 182.654 1.879 10 0 ADAERN Cn1[nH]c(=O)cc1-c1ccc(O)cc1 257813364 573441835 /nfs/dbraw/zinc/44/18/35/573441835.db2.gz CEHVXFFUIJNAGU-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1n1nnnc1N 86457270 573441837 /nfs/dbraw/zinc/44/18/37/573441837.db2.gz JJADBQDPOMYWFS-SFYZADRCSA-N 0 0 195.270 1.397 10 0 ADAERN C[C@H]1[C@@H](C(=O)[O-])CCC[N@@H+]1C1CC1 107230621 573441850 /nfs/dbraw/zinc/44/18/50/573441850.db2.gz LOFALCBNCQPIEC-CBAPKCEASA-N 0 0 183.251 1.334 10 0 ADAERN CCC(CC)(CNN)C(F)(F)F 690188953 573441862 /nfs/dbraw/zinc/44/18/62/573441862.db2.gz CEKITAPUZWVJGU-UHFFFAOYSA-N 0 0 184.205 1.818 10 0 ADAERN C[C@@H]1C[C@H](CC(=O)[O-])C[N@@H+]1C1CC1 107230558 573441884 /nfs/dbraw/zinc/44/18/84/573441884.db2.gz WEDGHLGDVRONIJ-HTQZYQBOSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H]1COC(=O)N1c1cccc(O)c1 257813632 573441898 /nfs/dbraw/zinc/44/18/98/573441898.db2.gz CGLWQTDLARJBND-ZETCQYMHSA-N 0 0 193.202 1.737 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2ccccc2N1C 258355866 573441928 /nfs/dbraw/zinc/44/19/28/573441928.db2.gz ZTHUYLMACVHEJO-KOLCDFICSA-N 0 0 191.274 1.818 10 0 ADAERN NOCc1csc2c(O)cccc12 258022699 573441930 /nfs/dbraw/zinc/44/19/30/573441930.db2.gz DGSUJKOYARWCIT-UHFFFAOYSA-N 0 0 195.243 1.997 10 0 ADAERN NOCc1cc2ccoc2cc1F 258022335 573441965 /nfs/dbraw/zinc/44/19/65/573441965.db2.gz OHARWEYJFWOXAP-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN CO[C@@H]1CCCC(=O)[C@@H](C)C1 238397356 573441970 /nfs/dbraw/zinc/44/19/70/573441970.db2.gz LBEBYZRCPHWTFK-JGVFFNPUSA-N 0 0 156.225 1.781 10 0 ADAERN CC[C@H]1CCC[C@H](n2nnnc2N)C1 86457240 573442363 /nfs/dbraw/zinc/44/23/63/573442363.db2.gz ISWCEDMIQZKHFW-YUMQZZPRSA-N 0 0 195.270 1.397 10 0 ADAERN COc1ccc(C=O)c2c1cnn2C 259450680 573441986 /nfs/dbraw/zinc/44/19/86/573441986.db2.gz PSYYGUUEFDEAJO-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN C[C@@H]1CC=C2NC(=O)CC[C@@H]2C1 238397510 573441989 /nfs/dbraw/zinc/44/19/89/573441989.db2.gz QOLSDUQQCUMEHY-HTQZYQBOSA-N 0 0 165.236 1.826 10 0 ADAERN CCn1nc(N)c2c1CCC[C@H]2F 257813516 573441990 /nfs/dbraw/zinc/44/19/90/573441990.db2.gz CCOWHXYXIJMRLM-ZCFIWIBFSA-N 0 0 183.230 1.832 10 0 ADAERN CC[C@@H]1CCCC[C@H]1n1nnnc1N 86456882 573441991 /nfs/dbraw/zinc/44/19/91/573441991.db2.gz OOMXHJKOCZWNSZ-HTQZYQBOSA-N 0 0 195.270 1.397 10 0 ADAERN O=C(NCc1cc[nH]c1)c1ccco1 74988911 573441996 /nfs/dbraw/zinc/44/19/96/573441996.db2.gz QQEZHOANRKRRSZ-UHFFFAOYSA-N 0 0 190.202 1.538 10 0 ADAERN CS[C@@H]1C(=O)CC[C@H]1C 238397147 573442007 /nfs/dbraw/zinc/44/20/07/573442007.db2.gz JLQUWZLHFYNTAP-VDTYLAMSSA-N 0 0 144.239 1.717 10 0 ADAERN CO[C@@H]1CCCC(=O)C1(C)C 238397336 573442023 /nfs/dbraw/zinc/44/20/23/573442023.db2.gz WERFCGSMXDQHOW-MRVPVSSYSA-N 0 0 156.225 1.781 10 0 ADAERN COC[C@@H](C(=O)OC)C1CCC1 258345579 573442055 /nfs/dbraw/zinc/44/20/55/573442055.db2.gz QRPNKPYHPKCLAA-MRVPVSSYSA-N 0 0 172.224 1.222 10 0 ADAERN C[C@H](CO)CNc1cc(F)ccc1N 83219279 573442065 /nfs/dbraw/zinc/44/20/65/573442065.db2.gz VYNNCZLFLZJGQG-ZETCQYMHSA-N 0 0 198.241 1.448 10 0 ADAERN CCCCN1C(=O)CN[C@@H]1CCC 138026809 573442068 /nfs/dbraw/zinc/44/20/68/573442068.db2.gz HCCHOUMVASBELD-VIFPVBQESA-N 0 0 184.283 1.345 10 0 ADAERN C[C@H]1C[C@@H](n2nnnc2N)CC[C@H]1C 86457235 573442081 /nfs/dbraw/zinc/44/20/81/573442081.db2.gz NMCTUMFTCNGAFN-CSMHCCOUSA-N 0 0 195.270 1.253 10 0 ADAERN Cc1ccc(NO[C@H](C)CO)cc1 118897681 573442100 /nfs/dbraw/zinc/44/21/00/573442100.db2.gz INHRUJWUFRPJMB-SECBINFHSA-N 0 0 181.235 1.719 10 0 ADAERN C[C@@H]1CC=C2CCC(=O)N2C1 238397321 573442118 /nfs/dbraw/zinc/44/21/18/573442118.db2.gz HEHLBJAKBNFUBS-SSDOTTSWSA-N 0 0 151.209 1.533 10 0 ADAERN CCCC[C@@H](O)/C=C/[C@H](O)CC 78956901 573444866 /nfs/dbraw/zinc/44/48/66/573444866.db2.gz SFWVCTUEJMJFLE-WENXHQBNSA-N 0 0 172.268 1.865 10 0 ADAERN CC(C)[C@H]1[C@@H](C(=O)[O-])C[C@@H]2CC[C@H]1[NH2+]2 258023329 573444882 /nfs/dbraw/zinc/44/48/82/573444882.db2.gz IDSLHPDSWRPDQF-QEYWKRMJSA-N 0 0 197.278 1.484 10 0 ADAERN C[C@@H]1OC(=O)C=C[C@H](O)C=C[C@H]2C[C@@H]12 308585898 573444889 /nfs/dbraw/zinc/44/48/89/573444889.db2.gz MDQSATBZDUKXGN-QEYWKRMJSA-N 0 0 194.230 1.041 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])CC1(C)C 259448822 573444899 /nfs/dbraw/zinc/44/48/99/573444899.db2.gz PBFXPSYBFLIPHZ-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN CCC[C@@](O)(c1cn(C)nn1)C1CC1 308587387 573444900 /nfs/dbraw/zinc/44/49/00/573444900.db2.gz SUOLLJSDRIZYEZ-JTQLQIEISA-N 0 0 195.266 1.213 10 0 ADAERN CO[C@H](C)c1cnccc1C(C)=O 238397146 573444901 /nfs/dbraw/zinc/44/49/01/573444901.db2.gz FQFCSCNQRMEUNB-MRVPVSSYSA-N 0 0 179.219 1.992 10 0 ADAERN CO[C@@H]1CCC(=O)CC[C@H]1C 238396630 573444908 /nfs/dbraw/zinc/44/49/08/573444908.db2.gz DWDWRWAVGDKTHI-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN CCC[C@](O)(c1cn(C)nn1)C1CC1 308587388 573444922 /nfs/dbraw/zinc/44/49/22/573444922.db2.gz SUOLLJSDRIZYEZ-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@H](CO)CNc1cccc(N)c1 83219523 573444928 /nfs/dbraw/zinc/44/49/28/573444928.db2.gz LKFRXLGHGAGSTM-QMMMGPOBSA-N 0 0 180.251 1.309 10 0 ADAERN COC(=O)c1ccc(C)c2c1OCO2 238397411 573444930 /nfs/dbraw/zinc/44/49/30/573444930.db2.gz XVSCSLLPUQGUMT-UHFFFAOYSA-N 0 0 194.186 1.510 10 0 ADAERN CO[C@@H](C(N)=O)C1CCC(C)CC1 238397606 573444936 /nfs/dbraw/zinc/44/49/36/573444936.db2.gz WTIJRQDOKMJVNE-AMDVSUOASA-N 0 0 185.267 1.313 10 0 ADAERN COc1ccccc1C[C@H](C)N(C)N 138367201 573444955 /nfs/dbraw/zinc/44/49/55/573444955.db2.gz POCZHVYABIHPEM-VIFPVBQESA-N 0 0 194.278 1.432 10 0 ADAERN CCCCOCCn1ccncc1=O 308585868 573444964 /nfs/dbraw/zinc/44/49/64/573444964.db2.gz MCJVIBLASSXNDL-UHFFFAOYSA-N 0 0 196.250 1.060 10 0 ADAERN CC(C)CCN1C(=O)CN[C@H]1C(C)C 138173575 573445017 /nfs/dbraw/zinc/44/50/17/573445017.db2.gz HPPJUUHCRAFKNG-LLVKDONJSA-N 0 0 198.310 1.446 10 0 ADAERN CCC[C@H](C)OCc1ccnc(N)n1 308586866 573445041 /nfs/dbraw/zinc/44/50/41/573445041.db2.gz MQXHVBXGOBTYNZ-QMMMGPOBSA-N 0 0 195.266 1.764 10 0 ADAERN Cc1cccnc1NC[C@@H](C)CO 83220405 573445088 /nfs/dbraw/zinc/44/50/88/573445088.db2.gz VPYBKFMQYOCAIC-MRVPVSSYSA-N 0 0 180.251 1.430 10 0 ADAERN CCCC(=O)N1CCC(=O)[C@@H](CC)C1 159482515 573445134 /nfs/dbraw/zinc/44/51/34/573445134.db2.gz FOGPMGLYSJYKBQ-VIFPVBQESA-N 0 0 197.278 1.614 10 0 ADAERN C[C@H]1[C@@H](CC(=O)[O-])CCC[N@@H+]1C1CC1 107238183 573445136 /nfs/dbraw/zinc/44/51/36/573445136.db2.gz DYLHCULOWVHPCL-DTWKUNHWSA-N 0 0 197.278 1.724 10 0 ADAERN Cc1cccnc1NC[C@H](C)CO 83220406 573445146 /nfs/dbraw/zinc/44/51/46/573445146.db2.gz VPYBKFMQYOCAIC-QMMMGPOBSA-N 0 0 180.251 1.430 10 0 ADAERN c1n[nH]cc1OC[C@H]1CCCS1 258355449 573445236 /nfs/dbraw/zinc/44/52/36/573445236.db2.gz FZKULSKKPMLRLG-MRVPVSSYSA-N 0 0 184.264 1.684 10 0 ADAERN CC(C)C1CCN(N)CC1 144255832 573445242 /nfs/dbraw/zinc/44/52/42/573445242.db2.gz KNDQGPOMRXDESL-UHFFFAOYSA-N 0 0 142.246 1.228 10 0 ADAERN Cc1ccc(N)c2c1c(C)nn2C 259450894 573445255 /nfs/dbraw/zinc/44/52/55/573445255.db2.gz PXVCPTPIIRFDKW-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN CCOC(=O)[C@@H](c1cc[nH]c1)N(C)C 259103088 573445260 /nfs/dbraw/zinc/44/52/60/573445260.db2.gz HDUYROFNDOQJQN-SECBINFHSA-N 0 0 196.250 1.181 10 0 ADAERN Cc1nc(Cl)sc1CNN 83251905 573445319 /nfs/dbraw/zinc/44/53/19/573445319.db2.gz MUWGPJOXRFIITH-UHFFFAOYSA-N 0 0 177.660 1.068 10 0 ADAERN CC[C@@H]1N[C@@H](C)C(=O)N1CCC(C)C 138165674 573445325 /nfs/dbraw/zinc/44/53/25/573445325.db2.gz IGLACKPWJQMDDR-VHSXEESVSA-N 0 0 198.310 1.589 10 0 ADAERN CC(C)(C)c1cccc(CO)n1 118902919 573445334 /nfs/dbraw/zinc/44/53/34/573445334.db2.gz ZTOVDWLNTBSBLC-UHFFFAOYSA-N 0 0 165.236 1.871 10 0 ADAERN CCC[C@@H]1NCC(=O)N1CCC(C)C 138130467 573445349 /nfs/dbraw/zinc/44/53/49/573445349.db2.gz MKSJSSJGMDATHA-SNVBAGLBSA-N 0 0 198.310 1.591 10 0 ADAERN CC[C@H]([NH3+])[C@]1(CC(=O)[O-])C[C@@H](C)[C@@H]1C 308586052 573445408 /nfs/dbraw/zinc/44/54/08/573445408.db2.gz RXRRIXYEYDTFGT-HJGDQZAQSA-N 0 0 199.294 1.861 10 0 ADAERN COc1cc2cnoc2cc1F 238405898 573445411 /nfs/dbraw/zinc/44/54/11/573445411.db2.gz CKJBPCIATQAZAG-UHFFFAOYSA-N 0 0 167.139 1.976 10 0 ADAERN O=C([O-])/C=C\CC1CC[NH2+]CC1 258023389 573445435 /nfs/dbraw/zinc/44/54/35/573445435.db2.gz BQHHQBQDLSLTRY-IWQZZHSRSA-N 0 0 169.224 1.017 10 0 ADAERN C[C@H](CO)CNc1cccc(F)c1N 83219239 573445455 /nfs/dbraw/zinc/44/54/55/573445455.db2.gz VAHISEVLKJYSSF-ZETCQYMHSA-N 0 0 198.241 1.448 10 0 ADAERN C[C@@H](CO)CNc1cc(F)ccc1N 83219281 573445465 /nfs/dbraw/zinc/44/54/65/573445465.db2.gz VYNNCZLFLZJGQG-SSDOTTSWSA-N 0 0 198.241 1.448 10 0 ADAERN CC[N@@H+]1CC[C@@H](/C=C\CC(=O)[O-])C1 258023378 573445488 /nfs/dbraw/zinc/44/54/88/573445488.db2.gz BPULINDDTOZNHO-ZBJFTSOASA-N 0 0 183.251 1.359 10 0 ADAERN C[C@@H]1Cc2ccc(C(N)=O)cc2N1 238405892 573445537 /nfs/dbraw/zinc/44/55/37/573445537.db2.gz BAEXHJWHNWDQER-ZCFIWIBFSA-N 0 0 176.219 1.142 10 0 ADAERN Cc1csc(NC[C@H](C)CO)n1 83220493 573445551 /nfs/dbraw/zinc/44/55/51/573445551.db2.gz MRTCICJCHYHSCO-LURJTMIESA-N 0 0 186.280 1.492 10 0 ADAERN [NH3+]C[C@@H](F)c1cnc2ccccn12 107255563 573445564 /nfs/dbraw/zinc/44/55/64/573445564.db2.gz AMYKKVXJBQVLKP-SSDOTTSWSA-N 0 0 179.198 1.304 10 0 ADAERN Nc1nc(-c2cccc(C=O)c2)co1 257816380 573445569 /nfs/dbraw/zinc/44/55/69/573445569.db2.gz DKCGXJIYKPFIMT-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)NC1CCCC1 689954726 573445571 /nfs/dbraw/zinc/44/55/71/573445571.db2.gz JBPXTVAQJSIUDI-IUCAKERBSA-N 0 0 183.251 1.080 10 0 ADAERN CCn1cnc([C@H](O)C[C@@H](C)OC)c1 308586830 573445608 /nfs/dbraw/zinc/44/56/08/573445608.db2.gz MPJWYTQSCYICPB-PSASIEDQSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1c(N)cccc1NC[C@H](C)CO 83219089 573445624 /nfs/dbraw/zinc/44/56/24/573445624.db2.gz GLDXPHWXFSFODA-QMMMGPOBSA-N 0 0 194.278 1.618 10 0 ADAERN CCCCC(=O)NCCc1cc[nH]c1 75002253 573445634 /nfs/dbraw/zinc/44/56/34/573445634.db2.gz WAJYWKQZCOBDFY-UHFFFAOYSA-N 0 0 194.278 1.864 10 0 ADAERN O=C1[C@@H]2C=CC[C@@H]2C12CC2 224919345 573453952 /nfs/dbraw/zinc/45/39/52/573453952.db2.gz XAGSSJQAPYVPCR-RQJHMYQMSA-N 0 0 134.178 1.542 10 0 ADAERN Cc1nc(N)nn1-c1ccc(F)cc1 86475293 573453983 /nfs/dbraw/zinc/45/39/83/573453983.db2.gz VANRIUPKQYKUHI-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC[C@@H]1N[C@H](CC)N([C@@H]2C[C@@H]2C)C1=O 124396395 573453985 /nfs/dbraw/zinc/45/39/85/573453985.db2.gz UNCDCAYDDQLKQI-QEYWKRMJSA-N 0 0 196.294 1.341 10 0 ADAERN OC[C@@H](OC1COC1)c1ccccc1 308590009 573453988 /nfs/dbraw/zinc/45/39/88/573453988.db2.gz ODDZXWDGKYXTOS-LLVKDONJSA-N 0 0 194.230 1.135 10 0 ADAERN COc1ccc(N)c(CCCCO)c1 257817265 573454026 /nfs/dbraw/zinc/45/40/26/573454026.db2.gz DTSWLVLUPCZELF-UHFFFAOYSA-N 0 0 195.262 1.592 10 0 ADAERN C[C@H](N)c1nnc(C(F)(F)F)s1 83281628 573454030 /nfs/dbraw/zinc/45/40/30/573454030.db2.gz FCLYKLKPYIUQND-REOHCLBHSA-N 0 0 197.185 1.577 10 0 ADAERN COC(=O)[C@H](F)c1ccc(OC)cc1 257817332 573454048 /nfs/dbraw/zinc/45/40/48/573454048.db2.gz CGQLKYYDSYRKFK-SECBINFHSA-N 0 0 198.193 1.879 10 0 ADAERN C[C@H](F)c1cnc(C=O)s1 107257484 573453301 /nfs/dbraw/zinc/45/33/01/573453301.db2.gz LTRAJOGSBOBMMV-BYPYZUCNSA-N 0 0 159.185 1.986 10 0 ADAERN C[C@]1(C2CCSCC2)CCC(=O)N1 257817397 573453317 /nfs/dbraw/zinc/45/33/17/573453317.db2.gz CHVPDIKQXCNVRL-SNVBAGLBSA-N 0 0 199.319 1.798 10 0 ADAERN CCOC(=O)[C@@]1(C)CCO[C@H]1C1CC1 308390950 573453343 /nfs/dbraw/zinc/45/33/43/573453343.db2.gz KPFXPFBXEQISMA-ONGXEEELSA-N 0 0 198.262 1.755 10 0 ADAERN C[C@@H]1C=CC[C@@H]2C(=O)N[C@@]21C 238401752 573453347 /nfs/dbraw/zinc/45/33/47/573453347.db2.gz YDTAJQOAVAJSCF-ZXFLCMHBSA-N 0 0 151.209 1.087 10 0 ADAERN C[C@@H](O)CC[C@@H](O)CCc1cc[nH]c1 78444135 573453383 /nfs/dbraw/zinc/45/33/83/573453383.db2.gz FDERJBZQTVJMNF-MWLCHTKSSA-N 0 0 197.278 1.469 10 0 ADAERN OCc1cc(-c2cnco2)co1 142508633 573453429 /nfs/dbraw/zinc/45/34/29/573453429.db2.gz CCZJDQVSTNNBMX-UHFFFAOYSA-N 0 0 165.148 1.427 10 0 ADAERN CCc1nc(N)oc1-c1ccncc1 258660744 573453439 /nfs/dbraw/zinc/45/34/39/573453439.db2.gz UMRAKCAPWZDKHT-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN Cc1ccc(NC(N)=O)o1 258661184 573453445 /nfs/dbraw/zinc/45/34/45/573453445.db2.gz IFQUSZJWOFCGKJ-UHFFFAOYSA-N 0 0 140.142 1.079 10 0 ADAERN CC[C@H]([NH2+]C)C1CCC(C(=O)[O-])CC1 259456147 573453482 /nfs/dbraw/zinc/45/34/82/573453482.db2.gz PIBQYNWUNLTGST-RTBKNWGFSA-N 0 0 199.294 1.875 10 0 ADAERN COc1cccc(-c2n[nH]nc2N)c1 257816790 573453505 /nfs/dbraw/zinc/45/35/05/573453505.db2.gz DNXQNLLHUWVAPU-UHFFFAOYSA-N 0 0 190.206 1.063 10 0 ADAERN O=C1OCc2ccc3c(c21)OCCO3 257817662 573453530 /nfs/dbraw/zinc/45/35/30/573453530.db2.gz DVDIQMGMIGOFGF-UHFFFAOYSA-N 0 0 192.170 1.128 10 0 ADAERN COc1cccc2[nH]c(=O)c(F)cc12 238400563 573453532 /nfs/dbraw/zinc/45/35/32/573453532.db2.gz SSEJDGIXXFQTIH-UHFFFAOYSA-N 0 0 193.177 1.676 10 0 ADAERN COC1(Cc2ccc(CO)cc2)CC1 259452335 573453541 /nfs/dbraw/zinc/45/35/41/573453541.db2.gz MSGKVHVABAAWCZ-UHFFFAOYSA-N 0 0 192.258 1.900 10 0 ADAERN CCCN[C@]1(C(=O)OC)C[C@@H](C)[C@@H]1C 308590979 573453546 /nfs/dbraw/zinc/45/35/46/573453546.db2.gz VJSFBVRHRIDCKS-WCABBAIRSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@]1(C2CCOCC2)COC(=O)C1 257817491 573453552 /nfs/dbraw/zinc/45/35/52/573453552.db2.gz DSJCWKWQIOMWLC-SNVBAGLBSA-N 0 0 184.235 1.366 10 0 ADAERN NN[C@@H](C1=CCCCC1)C(F)(F)F 236227611 573453583 /nfs/dbraw/zinc/45/35/83/573453583.db2.gz WTWBAMDDRIMABN-ZETCQYMHSA-N 0 0 194.200 1.881 10 0 ADAERN C[C@@H]1CNC(=O)N1c1cccc(O)c1 257816819 573453638 /nfs/dbraw/zinc/45/36/38/573453638.db2.gz DPFWUZWIHLMAND-SSDOTTSWSA-N 0 0 192.218 1.310 10 0 ADAERN CCC(CC)CNc1ncnc(N)n1 308589967 573453737 /nfs/dbraw/zinc/45/37/37/573453737.db2.gz OBJROMIAIACYRI-UHFFFAOYSA-N 0 0 195.270 1.302 10 0 ADAERN COC(=O)[C@@H](F)CC(C)C 107257591 573453747 /nfs/dbraw/zinc/45/37/47/573453747.db2.gz GTXAPTOTVKVAHH-LURJTMIESA-N 0 0 148.177 1.544 10 0 ADAERN CCOC(=O)N1CCC[C@@H](F)C1 107259662 573453752 /nfs/dbraw/zinc/45/37/52/573453752.db2.gz WRHZBFOHGBAHEE-SSDOTTSWSA-N 0 0 175.203 1.577 10 0 ADAERN CC(C)(O)c1ccc(CON)cc1 259454305 573453766 /nfs/dbraw/zinc/45/37/66/573453766.db2.gz MUYQQHJNLPSJRP-UHFFFAOYSA-N 0 0 181.235 1.304 10 0 ADAERN CO[C@@H](C)CC[C@@H](O)C1CCC1 162085569 573453788 /nfs/dbraw/zinc/45/37/88/573453788.db2.gz RBKIMEMBMXBZGD-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN COC(=O)c1ccc2c(c1)C=C[C@H]2O 238406183 573453795 /nfs/dbraw/zinc/45/37/95/573453795.db2.gz MCGXLLVOYUASKL-SNVBAGLBSA-N 0 0 190.198 1.533 10 0 ADAERN CSc1c(C)c[nH]c(=O)c1C(C)=O 238401073 573453816 /nfs/dbraw/zinc/45/38/16/573453816.db2.gz AIJHRHUKQDELMH-UHFFFAOYSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@]1(c2ccc(O)cc2)C[C@H]1CO 257817060 573453817 /nfs/dbraw/zinc/45/38/17/573453817.db2.gz DMIVAWDNWWUSIF-ONGXEEELSA-N 0 0 178.231 1.662 10 0 ADAERN CCOc1cnn([C@@H](C)C(=O)OC)c1 308591537 573453826 /nfs/dbraw/zinc/45/38/26/573453826.db2.gz PEYIDXNADKIVNF-ZETCQYMHSA-N 0 0 198.222 1.016 10 0 ADAERN C/C=C\C(=O)N1CCC[C@@]12CCOC2 308590973 573453842 /nfs/dbraw/zinc/45/38/42/573453842.db2.gz VJQQWBNYARCMSM-MORRKMRCSA-N 0 0 195.262 1.344 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)Cc1ccoc1 689955188 573453856 /nfs/dbraw/zinc/45/38/56/573453856.db2.gz MLUBUKVRBOSAGI-LPEHRKFASA-N 0 0 182.219 1.218 10 0 ADAERN CCC[N@H+](C)C1CCC(C(=O)[O-])CC1 258658189 573453873 /nfs/dbraw/zinc/45/38/73/573453873.db2.gz BIKMKWSSUQZMKQ-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)c1nc(NN)cs1 259455307 573453890 /nfs/dbraw/zinc/45/38/90/573453890.db2.gz YBGRUGOGZSLSHG-UHFFFAOYSA-N 0 0 157.242 1.552 10 0 ADAERN O=C1N[C@@H](COc2ccccc2)CO1 142565223 573453891 /nfs/dbraw/zinc/45/38/91/573453891.db2.gz QXNKKUIJRJUIMF-QMMMGPOBSA-N 0 0 193.202 1.174 10 0 ADAERN C[C@@H](O)C[C@]1(C)OCCS1 238401028 573453905 /nfs/dbraw/zinc/45/39/05/573453905.db2.gz NDRVPEYOGNPWAB-RNFRBKRXSA-N 0 0 162.254 1.237 10 0 ADAERN CC[C@H](C)[C@@H](O)CN1C(=O)CC[C@H]1C 308590216 573453929 /nfs/dbraw/zinc/45/39/29/573453929.db2.gz UXQQGGXFUBMDFA-AEJSXWLSSA-N 0 0 199.294 1.404 10 0 ADAERN F[C@@H]1CCCc2c[nH]nc21 107257512 573453933 /nfs/dbraw/zinc/45/39/33/573453933.db2.gz OSPSLEUYYLWFRX-ZCFIWIBFSA-N 0 0 140.161 1.757 10 0 ADAERN C[C@@H]1CCC[C@@H](N2CC(=O)CC2=O)C1 86475504 573458871 /nfs/dbraw/zinc/45/88/71/573458871.db2.gz FGFQDDZYVPWTBL-RKDXNWHRSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H]1C=CC[C@H]2C(=O)CCC(=O)[C@@H]12 238401963 573458879 /nfs/dbraw/zinc/45/88/79/573458879.db2.gz BBDIRBXBKPLVSE-FYBVGQRMSA-N 0 0 178.231 1.747 10 0 ADAERN Cc1ccc([C@@H]2OC[C@@H](CCO)O2)o1 258496128 573458886 /nfs/dbraw/zinc/45/88/86/573458886.db2.gz FSGROGBAPLEZPE-PSASIEDQSA-N 0 0 198.218 1.384 10 0 ADAERN CCNc1ccc(-c2cc[nH]c2)nn1 259453752 573458894 /nfs/dbraw/zinc/45/88/94/573458894.db2.gz ZNQJAGKDNULTBL-UHFFFAOYSA-N 0 0 188.234 1.904 10 0 ADAERN Nc1ccc2c(c1)C[C@@H](CO)CC2 257814005 573458898 /nfs/dbraw/zinc/45/88/98/573458898.db2.gz CHUQWTVOIPFQOB-QMMMGPOBSA-N 0 0 177.247 1.366 10 0 ADAERN Nc1nc(-c2ccccn2)co1 142644193 573458902 /nfs/dbraw/zinc/45/89/02/573458902.db2.gz OHXVGLQBMNCUJR-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN CC(CF)(CF)c1cc(N)on1 107264232 573458905 /nfs/dbraw/zinc/45/89/05/573458905.db2.gz UVBOAYAGMKOSFI-UHFFFAOYSA-N 0 0 176.166 1.454 10 0 ADAERN CCOC(=O)[C@H](C)CF 107263598 573458913 /nfs/dbraw/zinc/45/89/13/573458913.db2.gz LHKXNXFCZXTPJK-RXMQYKEDSA-N 0 0 134.150 1.155 10 0 ADAERN CC(C)CCN1CCC(=O)CC1=O 86475919 573458929 /nfs/dbraw/zinc/45/89/29/573458929.db2.gz ZJYASKMFLDOVBW-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CCC(C)(C)N1CCC(=O)CC1=O 86475961 573458935 /nfs/dbraw/zinc/45/89/35/573458935.db2.gz AOWVNUBRGGMAKA-UHFFFAOYSA-N 0 0 183.251 1.367 10 0 ADAERN CC1(CN2CC(=O)CC2=O)CCCC1 86475780 573458939 /nfs/dbraw/zinc/45/89/39/573458939.db2.gz PZANOFGFRIGKJX-UHFFFAOYSA-N 0 0 195.262 1.368 10 0 ADAERN COc1c(C[NH3+])ccc(C)c1F 238402073 573458940 /nfs/dbraw/zinc/45/89/40/573458940.db2.gz XFEFYBFXRBWALN-UHFFFAOYSA-N 0 0 169.199 1.601 10 0 ADAERN Cc1ccc([C@H]2OC[C@H](CCO)O2)o1 258496136 573458223 /nfs/dbraw/zinc/45/82/23/573458223.db2.gz FSGROGBAPLEZPE-WPRPVWTQSA-N 0 0 198.218 1.384 10 0 ADAERN COc1ccc2c(c1)[C@@](C)(CO)C2 238403175 573458225 /nfs/dbraw/zinc/45/82/25/573458225.db2.gz JUEMUUMBKPYBAA-LLVKDONJSA-N 0 0 178.231 1.501 10 0 ADAERN Cc1csc([C@@H]2C[C@@H](F)C[NH2+]2)n1 107266862 573458243 /nfs/dbraw/zinc/45/82/43/573458243.db2.gz HAUNYMXZYSACLZ-RQJHMYQMSA-N 0 0 186.255 1.824 10 0 ADAERN Cc1cc(CO)cc(N(C)C)c1C 259454333 573458244 /nfs/dbraw/zinc/45/82/44/573458244.db2.gz MVQSIUFMIKZFLF-UHFFFAOYSA-N 0 0 179.263 1.862 10 0 ADAERN CCc1ccc(NCC(C)=O)nn1 259455985 573458250 /nfs/dbraw/zinc/45/82/50/573458250.db2.gz ZQYAJQBARVSGAO-UHFFFAOYSA-N 0 0 179.223 1.040 10 0 ADAERN COc1cnc(C=O)cc1C(F)F 238403081 573458251 /nfs/dbraw/zinc/45/82/51/573458251.db2.gz OZLBUMGWAXSTRR-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CC(C)=CCC1=CCC(=O)[C@@H]1O 142600325 573458255 /nfs/dbraw/zinc/45/82/55/573458255.db2.gz WPWUOBZPIKDGCB-SNVBAGLBSA-N 0 0 166.220 1.603 10 0 ADAERN COc1cc2cc(C)cnc2[nH]c1=O 238403521 573458276 /nfs/dbraw/zinc/45/82/76/573458276.db2.gz XKOOBZXGGQGLDD-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN CC1(C)OC[C@H](CF)O1 107263224 573458292 /nfs/dbraw/zinc/45/82/92/573458292.db2.gz PLPKYQILAXCCPU-YFKPBYRVSA-N 0 0 134.150 1.107 10 0 ADAERN COc1cc2c(N)n[nH]c2cc1C 238402856 573458312 /nfs/dbraw/zinc/45/83/12/573458312.db2.gz ZWYQOKATIBIGLR-UHFFFAOYSA-N 0 0 177.207 1.462 10 0 ADAERN CC[C@@H](C)[C@@H](C)N1CC(=O)CC1=O 86475564 573458317 /nfs/dbraw/zinc/45/83/17/573458317.db2.gz PWMYPVPHWAQIOL-HTQZYQBOSA-N 0 0 183.251 1.222 10 0 ADAERN Nc1ccc(N)c(-c2ccncn2)c1 142640714 573458320 /nfs/dbraw/zinc/45/83/20/573458320.db2.gz PROXOLKCURELAH-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN O=C1CC(=O)N(C[C@@H]2CC=CCC2)C1 86475702 573458324 /nfs/dbraw/zinc/45/83/24/573458324.db2.gz RVMYUJIEHUTDPW-SECBINFHSA-N 0 0 193.246 1.144 10 0 ADAERN C[C@]1(c2cccc(O)c2)C[C@@H]1CO 257817884 573458326 /nfs/dbraw/zinc/45/83/26/573458326.db2.gz DUVUJEQNUBPHFC-MWLCHTKSSA-N 0 0 178.231 1.662 10 0 ADAERN O=C1CC(=O)N(Cc2ccsc2)C1 86475762 573458335 /nfs/dbraw/zinc/45/83/35/573458335.db2.gz BNCJLZJJPKNUNL-UHFFFAOYSA-N 0 0 195.243 1.050 10 0 ADAERN CC[C@@H](C)[C@H](C)N1CC(=O)CC1=O 86475566 573458340 /nfs/dbraw/zinc/45/83/40/573458340.db2.gz PWMYPVPHWAQIOL-SFYZADRCSA-N 0 0 183.251 1.222 10 0 ADAERN O=C1C[C@@H](c2ccccc2)[C@@H](CF)N1 107264095 573458341 /nfs/dbraw/zinc/45/83/41/573458341.db2.gz DISSOFZWCGBLSU-VHSXEESVSA-N 0 0 193.221 1.628 10 0 ADAERN C[C@@H](O)Cn1ccc(C(C)(C)C)n1 238403416 573458342 /nfs/dbraw/zinc/45/83/42/573458342.db2.gz YUAHHCWLOYVXAX-MRVPVSSYSA-N 0 0 182.267 1.561 10 0 ADAERN C[C@H](O)c1cc(Cl)ncn1 107261828 573458347 /nfs/dbraw/zinc/45/83/47/573458347.db2.gz CDZZAESZTOUQQZ-BYPYZUCNSA-N 0 0 158.588 1.183 10 0 ADAERN CCOCc1cn(CC)c(C)n1 258359388 573458354 /nfs/dbraw/zinc/45/83/54/573458354.db2.gz ZEMNHGQFCBGKLY-UHFFFAOYSA-N 0 0 168.240 1.748 10 0 ADAERN Cc1ccc([C@H]2OC[C@@H](CCO)O2)o1 258496130 573458355 /nfs/dbraw/zinc/45/83/55/573458355.db2.gz FSGROGBAPLEZPE-SCZZXKLOSA-N 0 0 198.218 1.384 10 0 ADAERN CC(C)C[C@H](O)CCc1nccn1C 126269706 573458375 /nfs/dbraw/zinc/45/83/75/573458375.db2.gz WJLSEZDKQWEQNZ-SNVBAGLBSA-N 0 0 196.294 1.760 10 0 ADAERN C[C@@H](O)C(=O)Sc1ccccn1 212825631 573458377 /nfs/dbraw/zinc/45/83/77/573458377.db2.gz XQFYWVDBCLVCLO-ZCFIWIBFSA-N 0 0 183.232 1.081 10 0 ADAERN CC[C@H](C)[C@@H](C)N1CC(=O)CC1=O 86475565 573458382 /nfs/dbraw/zinc/45/83/82/573458382.db2.gz PWMYPVPHWAQIOL-JGVFFNPUSA-N 0 0 183.251 1.222 10 0 ADAERN O=C1C[C@@H]2C[C@H](C1)C[C@@H]2CCO 142607978 573458392 /nfs/dbraw/zinc/45/83/92/573458392.db2.gz QTQJEGORDNOCPB-VGMNWLOBSA-N 0 0 168.236 1.374 10 0 ADAERN Cc1cc2c(cc1[C@H](C)CO)OCO2 257814058 573458396 /nfs/dbraw/zinc/45/83/96/573458396.db2.gz AIHLQBUVFSMPNV-MRVPVSSYSA-N 0 0 194.230 1.820 10 0 ADAERN C[C@@H]1CN[C@](C)(c2ccccn2)OC1 258361004 573458401 /nfs/dbraw/zinc/45/84/01/573458401.db2.gz GGGJFTFJMZCJGG-KOLCDFICSA-N 0 0 192.262 1.510 10 0 ADAERN C[C@@H]1CCC(F)(F)[C@@H](C)N1 107262998 573458404 /nfs/dbraw/zinc/45/84/04/573458404.db2.gz BDLQJPCJUXEIPG-PHDIDXHHSA-N 0 0 149.184 1.782 10 0 ADAERN CCC[C@H](C)N1CCC(=O)CC1=O 86475933 573458410 /nfs/dbraw/zinc/45/84/10/573458410.db2.gz KXBHHZVREPWLPX-QMMMGPOBSA-N 0 0 183.251 1.367 10 0 ADAERN C[C@@]([NH3+])(C(=O)[O-])C1=CCCCC1 212021159 573458416 /nfs/dbraw/zinc/45/84/16/573458416.db2.gz SDBOPESCSVYFMA-VIFPVBQESA-N 0 0 169.224 1.289 10 0 ADAERN C[C@H]1C[C@@H](O)c2cccc(O)c2N1 257817783 573458417 /nfs/dbraw/zinc/45/84/17/573458417.db2.gz DTMIGHCIYUNGOJ-IMTBSYHQSA-N 0 0 179.219 1.630 10 0 ADAERN COc1cccc([C@@H]2CCC(=O)C2)n1 238403858 573458427 /nfs/dbraw/zinc/45/84/27/573458427.db2.gz SZXSCRWPCQJOBZ-MRVPVSSYSA-N 0 0 191.230 1.927 10 0 ADAERN CO[C@]1(CO)CCc2c(F)cccc21 257814180 573458439 /nfs/dbraw/zinc/45/84/39/573458439.db2.gz CJPJTVZLOWLXAR-NSHDSACASA-N 0 0 196.221 1.606 10 0 ADAERN CSC(=O)N=C([O-])SC 238402620 573458442 /nfs/dbraw/zinc/45/84/42/573458442.db2.gz PEKBAQLAFCMKDX-UHFFFAOYSA-N 0 0 165.239 1.542 10 0 ADAERN O=C([O-])[C@]1(C2CCC2)CCCC[NH2+]1 258360199 573458448 /nfs/dbraw/zinc/45/84/48/573458448.db2.gz ZXGRSCGTQWIAHK-SNVBAGLBSA-N 0 0 183.251 1.383 10 0 ADAERN FC[C@@H]1CO[C@@H](c2ccccc2)CN1 107265194 573458451 /nfs/dbraw/zinc/45/84/51/573458451.db2.gz FLOVFVOSEMUJGY-GHMZBOCLSA-N 0 0 195.237 1.686 10 0 ADAERN CCC[C@@H](C)N1CCC(=O)CC1=O 86475932 573458457 /nfs/dbraw/zinc/45/84/57/573458457.db2.gz KXBHHZVREPWLPX-MRVPVSSYSA-N 0 0 183.251 1.367 10 0 ADAERN CSC(=O)C(=O)c1ccc[nH]1 238402162 573458466 /nfs/dbraw/zinc/45/84/66/573458466.db2.gz FIPCQJSWXFRGKN-UHFFFAOYSA-N 0 0 169.205 1.087 10 0 ADAERN Cn1ccnc1CC(=O)C1CCC1 86486052 573458471 /nfs/dbraw/zinc/45/84/71/573458471.db2.gz WSUAJIMAIKAQPZ-UHFFFAOYSA-N 0 0 178.235 1.332 10 0 ADAERN COC[C@H]1CNc2c(O)cccc2C1 257814244 573458474 /nfs/dbraw/zinc/45/84/74/573458474.db2.gz CMHXNOUYLWDOKX-MRVPVSSYSA-N 0 0 193.246 1.623 10 0 ADAERN CC1(N2CCC(=O)CC2=O)CCCC1 86476261 573458483 /nfs/dbraw/zinc/45/84/83/573458483.db2.gz SHFUMVATUVZJRW-UHFFFAOYSA-N 0 0 195.262 1.511 10 0 ADAERN COc1cc2c(F)cccc2[nH]c1=O 238402663 573458484 /nfs/dbraw/zinc/45/84/84/573458484.db2.gz JZFCYRLOYDYYSK-UHFFFAOYSA-N 0 0 193.177 1.676 10 0 ADAERN Cc1nc2sc([C@@H](C)O)c(C)n2n1 238402779 573458497 /nfs/dbraw/zinc/45/84/97/573458497.db2.gz XBMIFOGTACGILN-RXMQYKEDSA-N 0 0 197.263 1.461 10 0 ADAERN COC(=O)c1cc2ccccc2nn1 259454541 573458520 /nfs/dbraw/zinc/45/85/20/573458520.db2.gz KRMKSWSPZYMNJT-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN C[C@@H]1CCCC[C@H]1N1CC(=O)CC1=O 86475460 573458524 /nfs/dbraw/zinc/45/85/24/573458524.db2.gz QIMDQCQBYQFZNZ-PSASIEDQSA-N 0 0 195.262 1.367 10 0 ADAERN CCCc1c(CO)nc2ccccn12 142672714 573458529 /nfs/dbraw/zinc/45/85/29/573458529.db2.gz VPLRWFVSNJIGFM-UHFFFAOYSA-N 0 0 190.246 1.779 10 0 ADAERN COC[C@@H](CO)c1ccc(OC)cc1 258353517 573458531 /nfs/dbraw/zinc/45/85/31/573458531.db2.gz RAQQQMDXCGSIMU-SNVBAGLBSA-N 0 0 196.246 1.418 10 0 ADAERN FCc1cn(-c2ccccc2)nn1 107263262 573458534 /nfs/dbraw/zinc/45/85/34/573458534.db2.gz LIGZSUWLSHUKSS-UHFFFAOYSA-N 0 0 177.182 1.737 10 0 ADAERN FC[C@H]1CO[C@@H](c2ccccc2)CN1 107265201 573458550 /nfs/dbraw/zinc/45/85/50/573458550.db2.gz FLOVFVOSEMUJGY-WDEREUQCSA-N 0 0 195.237 1.686 10 0 ADAERN CC1(N2CC(=O)CC2=O)CCCCC1 86475695 573458565 /nfs/dbraw/zinc/45/85/65/573458565.db2.gz NQTPBIJVPRNHLT-UHFFFAOYSA-N 0 0 195.262 1.511 10 0 ADAERN CSC(=O)CC[C@@H](C)O 238402301 573458572 /nfs/dbraw/zinc/45/85/72/573458572.db2.gz GTOIOZURNHSXEU-RXMQYKEDSA-N 0 0 148.227 1.037 10 0 ADAERN COc1cc(C[NH3+])c(OC)cc1[S-] 238403350 573458602 /nfs/dbraw/zinc/45/86/02/573458602.db2.gz VEPOTNWLMYURSC-UHFFFAOYSA-N 0 0 199.275 1.451 10 0 ADAERN Nc1ccc2c(c1)N1C[C@@H]3C[C@@H]3[C@@H]1C2 257817770 573458604 /nfs/dbraw/zinc/45/86/04/573458604.db2.gz DTFIHEKXTPAGAT-PEXQALLHSA-N 0 0 186.258 1.650 10 0 ADAERN CC12COC(C3CC3)(OC1)OC2 258658874 573458612 /nfs/dbraw/zinc/45/86/12/573458612.db2.gz SEJFUYWSYZYDNZ-UHFFFAOYSA-N 0 0 170.208 1.134 10 0 ADAERN C[C@H]1CCC(F)(F)[C@H](C)N1 107262994 573458622 /nfs/dbraw/zinc/45/86/22/573458622.db2.gz BDLQJPCJUXEIPG-WDSKDSINSA-N 0 0 149.184 1.782 10 0 ADAERN C/C=C(/[C@@H](O)C(C)(C)C)n1cncn1 142656630 573458633 /nfs/dbraw/zinc/45/86/33/573458633.db2.gz AJYYXEIDNQNPNE-BZJXQOFCSA-N 0 0 195.266 1.546 10 0 ADAERN CO[C@@H]1CCC(=O)[C@H]1C 107264695 573458635 /nfs/dbraw/zinc/45/86/35/573458635.db2.gz BBUYISZMAZWASE-IYSWYEEDSA-N 0 0 128.171 1.000 10 0 ADAERN C[C@@H](O)[C@H]1Cc2c(O)cccc2N1 258354777 573458646 /nfs/dbraw/zinc/45/86/46/573458646.db2.gz YUYYPJWJCDZLBW-HZGVNTEJSA-N 0 0 179.219 1.110 10 0 ADAERN Nc1cccc(CCF)c1 107262929 573458672 /nfs/dbraw/zinc/45/86/72/573458672.db2.gz RGRLTSQYAYNFEC-UHFFFAOYSA-N 0 0 139.173 1.781 10 0 ADAERN COc1cnc(C)c(N)c1C(F)F 238402043 573458711 /nfs/dbraw/zinc/45/87/11/573458711.db2.gz JETSDUPRYUEWHE-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CCC(CC)CNC(=O)[C@@H]1C[C@H]1OC 689955647 573458714 /nfs/dbraw/zinc/45/87/14/573458714.db2.gz LITXOFXEINFYHJ-NXEZZACHSA-N 0 0 199.294 1.574 10 0 ADAERN CO[C@@H]1CCC(=O)[C@@H]1C 107264691 573458727 /nfs/dbraw/zinc/45/87/27/573458727.db2.gz BBUYISZMAZWASE-CAHLUQPWSA-N 0 0 128.171 1.000 10 0 ADAERN COC(=O)/C=C\Cc1ccco1 258359220 573458728 /nfs/dbraw/zinc/45/87/28/573458728.db2.gz ZBYWPSZZSAZIJK-KXFIGUGUSA-N 0 0 166.176 1.551 10 0 ADAERN O=C1CCN(c2ccsc2)C(=O)C1 86476332 573458743 /nfs/dbraw/zinc/45/87/43/573458743.db2.gz GVYBPTZYIBKQSW-UHFFFAOYSA-N 0 0 195.243 1.444 10 0 ADAERN CC[C@H](C)n1nc(N)nc1C 86475323 573458749 /nfs/dbraw/zinc/45/87/49/573458749.db2.gz IJZIMYDMBMXXNN-YFKPBYRVSA-N 0 0 154.217 1.140 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Cc1nccn1C 86486044 573458756 /nfs/dbraw/zinc/45/87/56/573458756.db2.gz AXTWVQLPGSGJTA-HTQZYQBOSA-N 0 0 178.235 1.188 10 0 ADAERN COc1cnc(C=O)cc1F 238403104 573458774 /nfs/dbraw/zinc/45/87/74/573458774.db2.gz DAEWNXCSDRFCCG-UHFFFAOYSA-N 0 0 155.128 1.042 10 0 ADAERN CC1(C)C(N2CC(=O)CC2=O)C1(C)C 86475899 573458800 /nfs/dbraw/zinc/45/88/00/573458800.db2.gz MTCNWKNGCDHLCC-UHFFFAOYSA-N 0 0 195.262 1.222 10 0 ADAERN C[C@H](CC1CC1)N1CCC(=O)CC1=O 86476227 573458817 /nfs/dbraw/zinc/45/88/17/573458817.db2.gz GESPUDFSXKDAIY-MRVPVSSYSA-N 0 0 195.262 1.367 10 0 ADAERN OCC[C@@H]1CCc2ccc(O)cc2N1 257814250 573458828 /nfs/dbraw/zinc/45/88/28/573458828.db2.gz CMQSTOZITPOAGK-VIFPVBQESA-N 0 0 193.246 1.501 10 0 ADAERN CC1(C)C2=CC(=O)O[C@@]2(C)CC[C@@H]1O 211134631 573458831 /nfs/dbraw/zinc/45/88/31/573458831.db2.gz WGMYBLXZGVIHNA-KWQFWETISA-N 0 0 196.246 1.409 10 0 ADAERN COc1ccccc1C[C@H](CO)OC 257814216 573458833 /nfs/dbraw/zinc/45/88/33/573458833.db2.gz CLGJPRPBLGFUTL-SNVBAGLBSA-N 0 0 196.246 1.245 10 0 ADAERN C[C@H](c1ccco1)N1CC(=O)CC1=O 86475531 573458841 /nfs/dbraw/zinc/45/88/41/573458841.db2.gz FDJWTAYKUDMTSQ-SSDOTTSWSA-N 0 0 193.202 1.142 10 0 ADAERN Cc1ccc(CNO)cc1N 259454334 573458842 /nfs/dbraw/zinc/45/88/42/573458842.db2.gz MVRFCBILSCPMOK-UHFFFAOYSA-N 0 0 152.197 1.056 10 0 ADAERN C/C=C/[C@H](C)F 107265566 573458850 /nfs/dbraw/zinc/45/88/50/573458850.db2.gz LZUVXWHJKUVDMO-BHYDHMSTSA-N 0 0 88.125 1.921 10 0 ADAERN CC[C@@H](C)[C@@H](C)N1CCC(=O)CC1=O 86476069 573458857 /nfs/dbraw/zinc/45/88/57/573458857.db2.gz GWCNUKDSMHTWMW-RKDXNWHRSA-N 0 0 197.278 1.613 10 0 ADAERN CC1(N2CC(=O)CC2=O)CCCC1 86475842 573458864 /nfs/dbraw/zinc/45/88/64/573458864.db2.gz BNDLWAZHQKXAAR-UHFFFAOYSA-N 0 0 181.235 1.121 10 0 ADAERN CC(=O)[C@H]1Cc2c(O)cccc2N1C 258032168 573458866 /nfs/dbraw/zinc/45/88/66/573458866.db2.gz DUGKCYWQZVAOSL-SNVBAGLBSA-N 0 0 191.230 1.342 10 0 ADAERN COc1cnc(C=O)c(C(F)F)c1 238402514 573458867 /nfs/dbraw/zinc/45/88/67/573458867.db2.gz WEQGCVVWXIXSOY-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN Cc1oc(C[C@@H](C)O)c(C)c(=O)c1C 238402920 573459644 /nfs/dbraw/zinc/45/96/44/573459644.db2.gz HWABOIPMXBSRMM-ZCFIWIBFSA-N 0 0 196.246 1.488 10 0 ADAERN OCCc1ccc2c(c1F)OCO2 258033580 573459650 /nfs/dbraw/zinc/45/96/50/573459650.db2.gz JFBODFXHXWGCCV-UHFFFAOYSA-N 0 0 184.166 1.089 10 0 ADAERN COC[C@H](CO)Cc1cccs1 258373018 573459653 /nfs/dbraw/zinc/45/96/53/573459653.db2.gz SHSICXJGWUWGQO-QMMMGPOBSA-N 0 0 186.276 1.546 10 0 ADAERN CSc1c(N)nc(N)nc1C(C)C 238402314 573459657 /nfs/dbraw/zinc/45/96/57/573459657.db2.gz WDZGPGAXHWEAAP-UHFFFAOYSA-N 0 0 198.295 1.486 10 0 ADAERN Nc1cc2c(cc1CCCF)OCO2 107263149 573459679 /nfs/dbraw/zinc/45/96/79/573459679.db2.gz ZJDZVAWAYQMERV-UHFFFAOYSA-N 0 0 197.209 1.900 10 0 ADAERN C[C@H](O)Cc1ccccc1NC(N)=O 258033178 573459698 /nfs/dbraw/zinc/45/96/98/573459698.db2.gz JBGUOMHFSYNROA-ZETCQYMHSA-N 0 0 194.234 1.101 10 0 ADAERN CCn1cc(C[C@H](O)C(C)C)cn1 50542053 573459700 /nfs/dbraw/zinc/45/97/00/573459700.db2.gz UDXQFCRPZAEBLM-JTQLQIEISA-N 0 0 182.267 1.462 10 0 ADAERN CC[P@@](=O)(OC)[C@H](C)O 142615067 573459732 /nfs/dbraw/zinc/45/97/32/573459732.db2.gz GDFDDQPMVNCJSH-MLUIRONXSA-N 0 0 152.130 1.269 10 0 ADAERN C[NH2+][C@@H](C1CCCC1)[C@@H](C)CC(=O)[O-] 259459372 573459755 /nfs/dbraw/zinc/45/97/55/573459755.db2.gz PLJCGVBVYFQGJX-GZMMTYOYSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1c[nH]c(=O)c2c1CC[C@@H]2C 138991154 573459770 /nfs/dbraw/zinc/45/97/70/573459770.db2.gz DJRZPVPMDQUEFS-LURJTMIESA-N 0 0 163.220 1.733 10 0 ADAERN COC(=O)c1ccc(-c2ccc[nH]2)[nH]1 238402937 573459788 /nfs/dbraw/zinc/45/97/88/573459788.db2.gz WCIQAKPGPGKIGH-UHFFFAOYSA-N 0 0 190.202 1.796 10 0 ADAERN COC(=O)C[C@@H](C)c1cocn1 259612241 573459794 /nfs/dbraw/zinc/45/97/94/573459794.db2.gz DYNFGDPRYHYGQX-ZCFIWIBFSA-N 0 0 169.180 1.341 10 0 ADAERN COc1cc2cc(C)ccc2[nH]c1=O 238403489 573459800 /nfs/dbraw/zinc/45/98/00/573459800.db2.gz VWYKDVOBNFQAIS-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN COC(=O)[C@@H](C)c1ccnc(C)n1 259612235 573459814 /nfs/dbraw/zinc/45/98/14/573459814.db2.gz DYKMAPFCPPBVSH-LURJTMIESA-N 0 0 180.207 1.062 10 0 ADAERN CCCN1CC(NC(=O)C=C(C)C)C1 393665620 573459840 /nfs/dbraw/zinc/45/98/40/573459840.db2.gz FKQCPBMECNPJSS-UHFFFAOYSA-N 0 0 196.294 1.163 10 0 ADAERN NC(=O)C(F)(F)[C@@H]1CCCSC1 258033156 573459856 /nfs/dbraw/zinc/45/98/56/573459856.db2.gz ISBKXBQOGJBXGN-RXMQYKEDSA-N 0 0 195.234 1.250 10 0 ADAERN COc1cnc(C)c(N)c1C 238402019 573459861 /nfs/dbraw/zinc/45/98/61/573459861.db2.gz KSDQRPINMFTZSU-UHFFFAOYSA-N 0 0 152.197 1.289 10 0 ADAERN C[C@@H]1Cc2cc(CCO)ccc2N1 258034309 573459885 /nfs/dbraw/zinc/45/98/85/573459885.db2.gz KGMSZOFSUGCVLY-MRVPVSSYSA-N 0 0 177.247 1.578 10 0 ADAERN CCC(CC)CNC(=O)[C@H]1C[C@H]1OC 689955651 573459914 /nfs/dbraw/zinc/45/99/14/573459914.db2.gz LITXOFXEINFYHJ-VHSXEESVSA-N 0 0 199.294 1.574 10 0 ADAERN COc1ccn2c(C3CC3)nnc2c1 258375888 573459930 /nfs/dbraw/zinc/45/99/30/573459930.db2.gz STDJSKSFPIIDDV-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN [O-][n+]1cccc2nc(C3CCC3)[nH]c21 142605003 573459940 /nfs/dbraw/zinc/45/99/40/573459940.db2.gz WHDRLOGOVCNKCH-UHFFFAOYSA-N 0 0 189.218 1.464 10 0 ADAERN O=C([O-])[C@H](C[NH2+]C1CCC1)C1CCC1 258377229 573459953 /nfs/dbraw/zinc/45/99/53/573459953.db2.gz SOVADALTFYQSAR-SNVBAGLBSA-N 0 0 197.278 1.629 10 0 ADAERN C[NH+](C)[C@@H](CCCO)c1ccccn1 259458710 573459961 /nfs/dbraw/zinc/45/99/61/573459961.db2.gz JOWNHVLOIUBULK-NSHDSACASA-N 0 0 194.278 1.457 10 0 ADAERN CSc1cc(=O)[nH]c(C(C)C)n1 238402884 573459969 /nfs/dbraw/zinc/45/99/69/573459969.db2.gz FVAVDZBKIKAVAO-UHFFFAOYSA-N 0 0 184.264 1.615 10 0 ADAERN Nc1ccc(N)c(-c2cncnc2)c1 142661985 573459972 /nfs/dbraw/zinc/45/99/72/573459972.db2.gz GZKOYVSFMFKRGE-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN C[C@H](C1CCC(C(=O)[O-])CC1)[NH+](C)C 259458725 573459984 /nfs/dbraw/zinc/45/99/84/573459984.db2.gz JPDSTORZHIIKAX-XNWIYYODSA-N 0 0 199.294 1.828 10 0 ADAERN CSc1c(O)cc(C)[nH]c1=O 238402455 573459986 /nfs/dbraw/zinc/45/99/86/573459986.db2.gz YJUROSRONQYTIQ-UHFFFAOYSA-N 0 0 171.221 1.111 10 0 ADAERN O=c1nc2cc(Cl)ccn2[n-]1 259458741 573459990 /nfs/dbraw/zinc/45/99/90/573459990.db2.gz KYGVLANVSRSZDZ-UHFFFAOYSA-N 0 0 169.571 1.088 10 0 ADAERN C[C@]1(CCO)Oc2ccc(F)cc2O1 258378414 573460006 /nfs/dbraw/zinc/46/00/06/573460006.db2.gz XNYTZKKQJIAJLR-JTQLQIEISA-N 0 0 198.193 1.696 10 0 ADAERN COCc1nnc2cc(Cl)ccn12 258658760 573460019 /nfs/dbraw/zinc/46/00/19/573460019.db2.gz XEGNDTHCZULSGF-UHFFFAOYSA-N 0 0 197.625 1.529 10 0 ADAERN Nc1nnn(CC(F)F)c1C1CC1 86492969 573460020 /nfs/dbraw/zinc/46/00/20/573460020.db2.gz CYYHZLSVKPUPTJ-UHFFFAOYSA-N 0 0 188.181 1.003 10 0 ADAERN CCCc1nnc2n1CC[C@@H](C)C2 258381707 573460023 /nfs/dbraw/zinc/46/00/23/573460023.db2.gz TXKIGTJIUKEDJY-MRVPVSSYSA-N 0 0 179.267 1.813 10 0 ADAERN COCCc1nc2n(n1)C[C@H](C)CC2 258370460 573460027 /nfs/dbraw/zinc/46/00/27/573460027.db2.gz MEQDVIRMBVDLNT-MRVPVSSYSA-N 0 0 195.266 1.049 10 0 ADAERN C[C@H]1CN[C@](C)(c2ccco2)OC1 258372574 573460032 /nfs/dbraw/zinc/46/00/32/573460032.db2.gz GVKGJHCWAJSFAA-WPRPVWTQSA-N 0 0 181.235 1.708 10 0 ADAERN C[C@@H]1OC(=O)N[C@H]1c1ccco1 238403482 573460038 /nfs/dbraw/zinc/46/00/38/573460038.db2.gz CZNBXWZODLYILN-CAHLUQPWSA-N 0 0 167.164 1.449 10 0 ADAERN COc1ccc2c(c1)[C@](C)(CO)C2 238402357 573460063 /nfs/dbraw/zinc/46/00/63/573460063.db2.gz JUEMUUMBKPYBAA-NSHDSACASA-N 0 0 178.231 1.501 10 0 ADAERN COc1ccc2c(c1)[C@@H](C(C)=O)C2 238402427 573460069 /nfs/dbraw/zinc/46/00/69/573460069.db2.gz HBCXMTPDUBVVCM-SNVBAGLBSA-N 0 0 176.215 1.924 10 0 ADAERN COc1cccc2c1CC(=O)C21CC1 238403442 573460084 /nfs/dbraw/zinc/46/00/84/573460084.db2.gz OWIPXIRNXDEZTP-UHFFFAOYSA-N 0 0 188.226 1.852 10 0 ADAERN Cc1oc(=O)[nH]c1NC(C)(C)C 238402936 573460093 /nfs/dbraw/zinc/46/00/93/573460093.db2.gz NFKZCBWSMRCSII-YFKPBYRVSA-N 0 0 170.212 1.312 10 0 ADAERN CCCC[C@@H](C)C(=O)c1cn(C)nn1 308591681 573460115 /nfs/dbraw/zinc/46/01/15/573460115.db2.gz VVNCCYPHLUQDSN-MRVPVSSYSA-N 0 0 195.266 1.824 10 0 ADAERN Cc1[nH]c(C=O)c2ccc(=O)ccc12 142619485 573460126 /nfs/dbraw/zinc/46/01/26/573460126.db2.gz RYHKMNMHRSKCNJ-UHFFFAOYSA-N 0 0 187.198 1.649 10 0 ADAERN Cc1sc(=N)n(C[C@@H](C)O)c1C 238403318 573460131 /nfs/dbraw/zinc/46/01/31/573460131.db2.gz DMVYAEYCEXXTJO-RXMQYKEDSA-N 0 0 186.280 1.027 10 0 ADAERN CC(C)(C)[C@](C[NH3+])(CF)C(=O)[O-] 257814966 573460148 /nfs/dbraw/zinc/46/01/48/573460148.db2.gz CQABGKIMWFOXHD-QMMMGPOBSA-N 0 0 177.219 1.032 10 0 ADAERN Cc1nc(C=O)c2cc(F)ccc2n1 257815094 573460152 /nfs/dbraw/zinc/46/01/52/573460152.db2.gz CTQWSFBEVSCUQX-UHFFFAOYSA-N 0 0 190.177 1.890 10 0 ADAERN CCn1[n-]c(C(C)(C)C)c(C[NH3+])c1=O 258034015 573460164 /nfs/dbraw/zinc/46/01/64/573460164.db2.gz SMVVYSKEEAKYMC-UHFFFAOYSA-N 0 0 197.282 1.365 10 0 ADAERN CC1(C)C[NH+]([C@@H](CC(=O)[O-])C2CC2)C1 130185968 573460177 /nfs/dbraw/zinc/46/01/77/573460177.db2.gz MKBJDTSXCIMCKW-VIFPVBQESA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)CC[C@H](O)Cc1cnn(C)c1 50542167 573460188 /nfs/dbraw/zinc/46/01/88/573460188.db2.gz ZBWCNOGTTOTKGD-NSHDSACASA-N 0 0 196.294 1.760 10 0 ADAERN COc1nc(C(C)(C)C)c(N)cc1N 257814713 573460191 /nfs/dbraw/zinc/46/01/91/573460191.db2.gz COTIBSJNKAWLJB-UHFFFAOYSA-N 0 0 195.266 1.552 10 0 ADAERN C[C@H]1Oc2cc(N(C)C)ccc2C1=O 142646894 573460199 /nfs/dbraw/zinc/46/01/99/573460199.db2.gz ZAFPJEBJIRGLJG-SSDOTTSWSA-N 0 0 191.230 1.716 10 0 ADAERN CCCC[C@H](NN)[C@@H]1CCSC1 130183151 573460214 /nfs/dbraw/zinc/46/02/14/573460214.db2.gz AGECSMLFAAUMJY-BDAKNGLRSA-N 0 0 188.340 1.762 10 0 ADAERN C[C@@H](C1CCC(C(=O)[O-])CC1)[NH+](C)C 259458723 573460218 /nfs/dbraw/zinc/46/02/18/573460218.db2.gz JPDSTORZHIIKAX-IDKOKCKLSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1ccccc1-c1c[nH]nc1CO 257814647 573460222 /nfs/dbraw/zinc/46/02/22/573460222.db2.gz AUYYHYWIOVIEPB-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN Cc1coc([C@H]2CSCCN2)n1 257815335 573460227 /nfs/dbraw/zinc/46/02/27/573460227.db2.gz CSJYWUCWKKPIGI-SSDOTTSWSA-N 0 0 184.264 1.361 10 0 ADAERN CCC(C)(CC)c1nnc(N)o1 142616762 573460232 /nfs/dbraw/zinc/46/02/32/573460232.db2.gz YQDRREAXOTUANY-UHFFFAOYSA-N 0 0 169.228 1.730 10 0 ADAERN O=c1[nH]n(C2CC2)c2c1CCCC2 257814580 573460237 /nfs/dbraw/zinc/46/02/37/573460237.db2.gz CMTYQQLMQPEASU-UHFFFAOYSA-N 0 0 178.235 1.802 10 0 ADAERN O=C1C[C@H](C2CCCCCC2)ON1 257814546 573460244 /nfs/dbraw/zinc/46/02/44/573460244.db2.gz CLHYGFVTNXRTMM-SECBINFHSA-N 0 0 183.251 1.777 10 0 ADAERN CC(C)CC[C@@H](O)Cc1cnn(C)c1 50542168 573460251 /nfs/dbraw/zinc/46/02/51/573460251.db2.gz ZBWCNOGTTOTKGD-LLVKDONJSA-N 0 0 196.294 1.760 10 0 ADAERN OCCc1ccc2c(c1)CCCCN2 257815246 573460255 /nfs/dbraw/zinc/46/02/55/573460255.db2.gz CXMGSYRRQBQSQY-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN COc1cccc([C@@H](O)[C@@H]2CO2)c1 238403157 573460257 /nfs/dbraw/zinc/46/02/57/573460257.db2.gz GZKIIIYRQUTUAR-VHSXEESVSA-N 0 0 180.203 1.127 10 0 ADAERN CCCC1C(=O)C=NN1CC 258497924 573460269 /nfs/dbraw/zinc/46/02/69/573460269.db2.gz KQLVKRANQXVBNF-UHFFFAOYSA-N 0 0 154.213 1.561 10 0 ADAERN O=C1NNC[C@H](C2CCCCCC2)O1 257814878 573460273 /nfs/dbraw/zinc/46/02/73/573460273.db2.gz BIYLLOVDMLDNKQ-SECBINFHSA-N 0 0 198.266 1.570 10 0 ADAERN CC(C)c1ncc(OC[C@@H](C)O)cn1 258377853 573460283 /nfs/dbraw/zinc/46/02/83/573460283.db2.gz HDTWOIVZGKKNTD-MRVPVSSYSA-N 0 0 196.250 1.360 10 0 ADAERN COc1cc2cc(F)cnc2[nH]c1=O 238403724 573460300 /nfs/dbraw/zinc/46/03/00/573460300.db2.gz ZXEYAOZUZXRSRY-UHFFFAOYSA-N 0 0 194.165 1.071 10 0 ADAERN O=C1C[C@]2(CCCCS2)CN1 257814967 573460304 /nfs/dbraw/zinc/46/03/04/573460304.db2.gz CQBACUSBEQQZCA-MRVPVSSYSA-N 0 0 171.265 1.162 10 0 ADAERN COc1ccc(C(N)N)cc1Cl 259458674 573460402 /nfs/dbraw/zinc/46/04/02/573460402.db2.gz QXBYBBFGBNLATE-UHFFFAOYSA-N 0 0 186.642 1.265 10 0 ADAERN O=C([O-])c1ccccc1C1=CC[NH2+]C1 257815107 573460404 /nfs/dbraw/zinc/46/04/04/573460404.db2.gz CUDLUACDRCXOTN-UHFFFAOYSA-N 0 0 189.214 1.371 10 0 ADAERN C[C@@H](O)Cc1cc(O)ccc1Cl 238401868 573460414 /nfs/dbraw/zinc/46/04/14/573460414.db2.gz KIPYJXVNBOXUTO-ZCFIWIBFSA-N 0 0 186.638 1.969 10 0 ADAERN CCCn1nnc(N)c1C1CC1 86493020 573460429 /nfs/dbraw/zinc/46/04/29/573460429.db2.gz LUEQPVCYAXXJSP-UHFFFAOYSA-N 0 0 166.228 1.148 10 0 ADAERN CC(=O)C[C@@H]1CCCCN1C(C)=O 86498775 573460438 /nfs/dbraw/zinc/46/04/38/573460438.db2.gz DGVRLXSFLYWTEO-JTQLQIEISA-N 0 0 183.251 1.367 10 0 ADAERN COC(=O)C[C@H](CO)CC(C)C 257814537 573461477 /nfs/dbraw/zinc/46/14/77/573461477.db2.gz CLBXUSQHPMQTER-MRVPVSSYSA-N 0 0 174.240 1.204 10 0 ADAERN C[C@@H]1C[NH2+][C@H](C(C)(C)C)[C@@H](C(=O)[O-])C1 238405423 573461478 /nfs/dbraw/zinc/46/14/78/573461478.db2.gz AMXBHSPXBPVDBD-CIUDSAMLSA-N 0 0 199.294 1.731 10 0 ADAERN CCCC[C@@H](O)CCc1nccn1C 126271188 573460707 /nfs/dbraw/zinc/46/07/07/573460707.db2.gz RPBFVXFDSNBWST-SNVBAGLBSA-N 0 0 196.294 1.904 10 0 ADAERN NCC(F)(F)c1ccncc1 107270618 573460708 /nfs/dbraw/zinc/46/07/08/573460708.db2.gz GGCOKCQKWFSQEB-UHFFFAOYSA-N 0 0 158.151 1.132 10 0 ADAERN CCc1cc(N)cc(=O)n1C(C)C 257814581 573460709 /nfs/dbraw/zinc/46/07/09/573460709.db2.gz CMWIAZFRTYOQGO-UHFFFAOYSA-N 0 0 180.251 1.574 10 0 ADAERN CNOCCc1ccccc1OC 257814572 573460713 /nfs/dbraw/zinc/46/07/13/573460713.db2.gz CMJKIZSXCKZXPG-UHFFFAOYSA-N 0 0 181.235 1.389 10 0 ADAERN O=C1NCC[C@H](C2CCCC2)O1 258498616 573460732 /nfs/dbraw/zinc/46/07/32/573460732.db2.gz KSTDMNSPPAXJQC-MRVPVSSYSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@@H]1COC(=O)N1c1ccccc1N 257815125 573460733 /nfs/dbraw/zinc/46/07/33/573460733.db2.gz CUSDIDBFEVNHEM-SSDOTTSWSA-N 0 0 192.218 1.614 10 0 ADAERN CC(C)c1cn2c(n1)CC[C@H](CO)C2 258383430 573460739 /nfs/dbraw/zinc/46/07/39/573460739.db2.gz MVNZSJYEELCNEU-VIFPVBQESA-N 0 0 194.278 1.561 10 0 ADAERN NC(=O)C(F)(F)[C@H]1CCCSC1 258033167 573460746 /nfs/dbraw/zinc/46/07/46/573460746.db2.gz ISBKXBQOGJBXGN-YFKPBYRVSA-N 0 0 195.234 1.250 10 0 ADAERN NN[C@@H](CC1CC1)[C@H]1CCCS1 130080770 573460750 /nfs/dbraw/zinc/46/07/50/573460750.db2.gz TYYOCKWKINVSON-DTWKUNHWSA-N 0 0 186.324 1.514 10 0 ADAERN Cc1c(N)nnn1[C@H]1CCC[C@@H](C)C1 86492023 573460777 /nfs/dbraw/zinc/46/07/77/573460777.db2.gz KJYAHYYFRDAWAM-APPZFPTMSA-N 0 0 194.282 1.920 10 0 ADAERN C[C@@]1(F)CCCc2n[nH]c(CO)c21 257814933 573460780 /nfs/dbraw/zinc/46/07/80/573460780.db2.gz COQRQQKLTFBGGU-SECBINFHSA-N 0 0 184.214 1.423 10 0 ADAERN CC(F)(F)[C@H]1CCCCN1 107268346 573460786 /nfs/dbraw/zinc/46/07/86/573460786.db2.gz PXCZHZPRBDPMIR-ZCFIWIBFSA-N 0 0 149.184 1.784 10 0 ADAERN Cc1c(N)nnn1C1CCCCC1 86491665 573460789 /nfs/dbraw/zinc/46/07/89/573460789.db2.gz WKTCGEFIIWSDKR-UHFFFAOYSA-N 0 0 180.255 1.674 10 0 ADAERN C[C@@H](O)Cn1c(=N)oc2ccccc21 238403267 573460793 /nfs/dbraw/zinc/46/07/93/573460793.db2.gz FWZWUVNJVKQWIL-SSDOTTSWSA-N 0 0 192.218 1.095 10 0 ADAERN C[C@@H]1C(=O)C=C(O)C1(C)C 211790964 573460794 /nfs/dbraw/zinc/46/07/94/573460794.db2.gz JUVLXGXZVMCSSU-RXMQYKEDSA-N 0 0 140.182 1.191 10 0 ADAERN C[C@@H]1C=CC[C@@H]2C(=O)CCC(=O)[C@H]21 238402498 573460817 /nfs/dbraw/zinc/46/08/17/573460817.db2.gz BBDIRBXBKPLVSE-XLDPMVHQSA-N 0 0 178.231 1.747 10 0 ADAERN CCc1c(N)nnn1Cc1ccco1 86492304 573460833 /nfs/dbraw/zinc/46/08/33/573460833.db2.gz ZYLJWHZRVNBHRZ-UHFFFAOYSA-N 0 0 192.222 1.064 10 0 ADAERN CC[C@H](O)Cc1cnn(CC)c1 50542073 573460835 /nfs/dbraw/zinc/46/08/35/573460835.db2.gz WQAWBBKKCRQDQH-VIFPVBQESA-N 0 0 168.240 1.216 10 0 ADAERN C[C@@H](F)C[NH+]1CCC(C(=O)[O-])CC1 107272935 573460836 /nfs/dbraw/zinc/46/08/36/573460836.db2.gz JEBYHEAMUXXJMU-SSDOTTSWSA-N 0 0 189.230 1.141 10 0 ADAERN COc1cccc([C@H]2CCNN2)c1 257814981 573460838 /nfs/dbraw/zinc/46/08/38/573460838.db2.gz CQXCHQPNBTZENV-SNVBAGLBSA-N 0 0 178.235 1.234 10 0 ADAERN COC(=N)NC(=O)NC1CCCCC1 142641072 573460840 /nfs/dbraw/zinc/46/08/40/573460840.db2.gz DSWUXVFUWHDKDS-UHFFFAOYSA-N 0 0 199.254 1.199 10 0 ADAERN O=C([O-])C[C@H](C1CC1)[NH+]1CC2(CC2)C1 130184173 573460843 /nfs/dbraw/zinc/46/08/43/573460843.db2.gz WCFVHAXKARFIKN-SECBINFHSA-N 0 0 195.262 1.336 10 0 ADAERN Cc1ccnn1-c1ccc(C=O)cc1 257814578 573460898 /nfs/dbraw/zinc/46/08/98/573460898.db2.gz CMOPILWKZXOFAY-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN NOCc1csc2cccc(O)c12 258370266 573460920 /nfs/dbraw/zinc/46/09/20/573460920.db2.gz ZZNUBCSTYJOLCX-UHFFFAOYSA-N 0 0 195.243 1.997 10 0 ADAERN Nc1n[nH]cc1CNc1nccs1 86490983 573460921 /nfs/dbraw/zinc/46/09/21/573460921.db2.gz ZPGIKVJMJKMMMQ-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN Nc1nnn(CC2CCC2)c1C1CC1 86492970 573460929 /nfs/dbraw/zinc/46/09/29/573460929.db2.gz QKYCPBJHFRAIDZ-UHFFFAOYSA-N 0 0 192.266 1.538 10 0 ADAERN OCCc1nc([C@@H]2CCCOC2)co1 258033127 573460930 /nfs/dbraw/zinc/46/09/30/573460930.db2.gz IRZQZOUOWXRSOV-MRVPVSSYSA-N 0 0 197.234 1.103 10 0 ADAERN CC[C@@H](C)Cn1nnc(N)c1C 86491825 573460934 /nfs/dbraw/zinc/46/09/34/573460934.db2.gz RCBFILRBSNAHCB-ZCFIWIBFSA-N 0 0 168.244 1.215 10 0 ADAERN CC(C)C[C@H](O)[C@@H](N)C(F)(F)F 394325041 573460944 /nfs/dbraw/zinc/46/09/44/573460944.db2.gz KTAZYAPRYJONBA-NTSWFWBYSA-N 0 0 185.189 1.283 10 0 ADAERN CC(C)(O)[C@H]1COc2ccccc21 258032110 573460949 /nfs/dbraw/zinc/46/09/49/573460949.db2.gz DSZOTYHSJFHADN-VIFPVBQESA-N 0 0 178.231 1.934 10 0 ADAERN COc1cccc([C@@H]2CCNN2)c1 257814980 573460971 /nfs/dbraw/zinc/46/09/71/573460971.db2.gz CQXCHQPNBTZENV-JTQLQIEISA-N 0 0 178.235 1.234 10 0 ADAERN CCCC[C@H](NN)[C@H]1CO[C@@H](C)C1 130173264 573460973 /nfs/dbraw/zinc/46/09/73/573460973.db2.gz AWRWUZGPULHSGU-AEJSXWLSSA-N 0 0 186.299 1.434 10 0 ADAERN C[C@H]1COC(=O)N1c1ccccc1N 257815126 573460977 /nfs/dbraw/zinc/46/09/77/573460977.db2.gz CUSDIDBFEVNHEM-ZETCQYMHSA-N 0 0 192.218 1.614 10 0 ADAERN FC(F)C1=NO[C@@H]2CSC[C@@H]12 107268010 573460988 /nfs/dbraw/zinc/46/09/88/573460988.db2.gz SGWXUKMESKLJCA-QWWZWVQMSA-N 0 0 179.191 1.369 10 0 ADAERN CCNc1[nH+]cc(C(=O)[O-])n1CC 258032037 573460989 /nfs/dbraw/zinc/46/09/89/573460989.db2.gz DRWDJYDQMDQUEB-UHFFFAOYSA-N 0 0 183.211 1.033 10 0 ADAERN C[C@@H](O)Cc1ccccc1NC(N)=O 258033173 573461012 /nfs/dbraw/zinc/46/10/12/573461012.db2.gz JBGUOMHFSYNROA-SSDOTTSWSA-N 0 0 194.234 1.101 10 0 ADAERN Cc1c(N)nnn1CCC(C)C 86491695 573461029 /nfs/dbraw/zinc/46/10/29/573461029.db2.gz KLTDLUVSKALHTQ-UHFFFAOYSA-N 0 0 168.244 1.215 10 0 ADAERN CCn1cc(C[C@@H](O)C(C)C)cn1 50542054 573461045 /nfs/dbraw/zinc/46/10/45/573461045.db2.gz UDXQFCRPZAEBLM-SNVBAGLBSA-N 0 0 182.267 1.462 10 0 ADAERN C[C@H](CO)[C@@H]1CN(C)c2ccccc21 258032732 573461095 /nfs/dbraw/zinc/46/10/95/573461095.db2.gz ZIQYZHFWUFPTBA-KOLCDFICSA-N 0 0 191.274 1.848 10 0 ADAERN Nc1nc(-c2cccc(O)c2)co1 257814565 573461129 /nfs/dbraw/zinc/46/11/29/573461129.db2.gz CMCKZUGQTOTPJW-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN C[C@H]1Cc2cc(CCO)ccc2N1 258034312 573461136 /nfs/dbraw/zinc/46/11/36/573461136.db2.gz KGMSZOFSUGCVLY-QMMMGPOBSA-N 0 0 177.247 1.578 10 0 ADAERN C[C@@H](O)C1CC(F)C1 257815396 573461152 /nfs/dbraw/zinc/46/11/52/573461152.db2.gz BCURGIIXKJNCBH-IISSFJTQSA-N 0 0 118.151 1.115 10 0 ADAERN Nc1nc(C=O)c2cccc(F)c2n1 257814700 573461159 /nfs/dbraw/zinc/46/11/59/573461159.db2.gz COECUNFXFAFZJY-UHFFFAOYSA-N 0 0 191.165 1.164 10 0 ADAERN Nc1nnn(CC2CC2)c1C1CC1 86492912 573461162 /nfs/dbraw/zinc/46/11/62/573461162.db2.gz MZMRCELFARKMQN-UHFFFAOYSA-N 0 0 178.239 1.148 10 0 ADAERN O=C1Nc2cccc(F)c2C1(F)F 107270376 573461176 /nfs/dbraw/zinc/46/11/76/573461176.db2.gz ABBXLCKNIUQEQT-UHFFFAOYSA-N 0 0 187.120 1.870 10 0 ADAERN O=C1NNC[C@@H](C2CCCCCC2)O1 257814879 573461209 /nfs/dbraw/zinc/46/12/09/573461209.db2.gz BIYLLOVDMLDNKQ-VIFPVBQESA-N 0 0 198.266 1.570 10 0 ADAERN C[C@]1(O)CNc2cc(F)ccc2C1 257815442 573461224 /nfs/dbraw/zinc/46/12/24/573461224.db2.gz CUEIKUAVGOODRU-SNVBAGLBSA-N 0 0 181.210 1.545 10 0 ADAERN CCCc1cnn(C)c1C=O 257814679 573461230 /nfs/dbraw/zinc/46/12/30/573461230.db2.gz AYDXJHPVDJXAOL-UHFFFAOYSA-N 0 0 152.197 1.185 10 0 ADAERN CC(C)(C)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 259458302 573461273 /nfs/dbraw/zinc/46/12/73/573461273.db2.gz WVIVGDQBRRNMMY-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN OCCc1cccc2c(Cl)n[nH]c12 258033374 573461280 /nfs/dbraw/zinc/46/12/80/573461280.db2.gz JDQCGMCSAXMBKL-UHFFFAOYSA-N 0 0 196.637 1.751 10 0 ADAERN CC1(C)CC(=O)[C@H]2CC(=O)C[C@@H]2C1 258033086 573461293 /nfs/dbraw/zinc/46/12/93/573461293.db2.gz PJISZXBQAWSYEW-APPZFPTMSA-N 0 0 180.247 1.971 10 0 ADAERN CSC(=O)c1[nH]c(C)c(C=O)c1C 238405439 573461308 /nfs/dbraw/zinc/46/13/08/573461308.db2.gz VBCJVIARDTZCQE-UHFFFAOYSA-N 0 0 197.259 1.947 10 0 ADAERN CCc1c(N)nnn1[C@H](C)CC 86492157 573461315 /nfs/dbraw/zinc/46/13/15/573461315.db2.gz LQLMXNIIARVXJD-ZCFIWIBFSA-N 0 0 168.244 1.394 10 0 ADAERN C[C@@H]1C=NO[C@]1(O)c1ccccc1O 238405470 573461316 /nfs/dbraw/zinc/46/13/16/573461316.db2.gz YLKXJVZLSYLOFP-XCBNKYQSSA-N 0 0 193.202 1.189 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)CCO2 257815341 573461327 /nfs/dbraw/zinc/46/13/27/573461327.db2.gz BASZNHWCMLQZGI-MRVPVSSYSA-N 0 0 178.231 1.717 10 0 ADAERN CNO[C@H]1CCCSC1 258498032 573461335 /nfs/dbraw/zinc/46/13/35/573461335.db2.gz KRKTYOKMRSVFTH-LURJTMIESA-N 0 0 147.243 1.033 10 0 ADAERN CCOC(=O)C(C)(C)CF 107271956 573461342 /nfs/dbraw/zinc/46/13/42/573461342.db2.gz JDWWVKBEYKRQLA-UHFFFAOYSA-N 0 0 148.177 1.545 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)c1ccsc1 689956692 573461345 /nfs/dbraw/zinc/46/13/45/573461345.db2.gz PGSJISYWOJRVFU-DJLDLDEBSA-N 0 0 184.260 1.816 10 0 ADAERN N[C@@H](F)c1ccccc1 107270477 573461363 /nfs/dbraw/zinc/46/13/63/573461363.db2.gz DJYGEZWRPJXPAL-SSDOTTSWSA-N 0 0 125.146 1.613 10 0 ADAERN CCOC(=O)[C@@]1(C)CCO[C@@H]1C1CC1 308390935 573461370 /nfs/dbraw/zinc/46/13/70/573461370.db2.gz KPFXPFBXEQISMA-KOLCDFICSA-N 0 0 198.262 1.755 10 0 ADAERN Cc1ccc(C)n1Cc1c[nH]nc1N 86491009 573461374 /nfs/dbraw/zinc/46/13/74/573461374.db2.gz QMQDOGPSFNFTFT-UHFFFAOYSA-N 0 0 190.250 1.459 10 0 ADAERN COc1ccc2c(c1)[C@H](O)CC(=O)N2 238404274 573461391 /nfs/dbraw/zinc/46/13/91/573461391.db2.gz NLFRDGXFSYDKLW-SECBINFHSA-N 0 0 193.202 1.071 10 0 ADAERN OCC[C@@H](F)C1CC1 257814634 573461394 /nfs/dbraw/zinc/46/13/94/573461394.db2.gz AUDLBJNIZXVDFP-ZCFIWIBFSA-N 0 0 118.151 1.117 10 0 ADAERN CCn1cc(C[C@@H](C)C(C)=O)cn1 50540474 573461407 /nfs/dbraw/zinc/46/14/07/573461407.db2.gz HFINDMDQKMDLOP-MRVPVSSYSA-N 0 0 180.251 1.671 10 0 ADAERN CC(C)c1nc2n(n1)CC[C@@H](C)C2 258374096 573461409 /nfs/dbraw/zinc/46/14/09/573461409.db2.gz MKIUZMRIWYXNAJ-MRVPVSSYSA-N 0 0 179.267 1.984 10 0 ADAERN CON(CC(C)C)C(=O)c1cn[nH]c1 393665511 573461425 /nfs/dbraw/zinc/46/14/25/573461425.db2.gz HZFSZNQBCQJNNR-UHFFFAOYSA-N 0 0 197.238 1.069 10 0 ADAERN O=C1C[C@@]2(CCCCS2)CN1 257814968 573461429 /nfs/dbraw/zinc/46/14/29/573461429.db2.gz CQBACUSBEQQZCA-QMMMGPOBSA-N 0 0 171.265 1.162 10 0 ADAERN C[C@H]1C(=O)C=C(O)C1(C)C 211791039 573461475 /nfs/dbraw/zinc/46/14/75/573461475.db2.gz JUVLXGXZVMCSSU-YFKPBYRVSA-N 0 0 140.182 1.191 10 0 ADAERN COc1cccc2c1OC(=O)[C@H](C)N2 258395122 573467631 /nfs/dbraw/zinc/46/76/31/573467631.db2.gz BKPCSENTBVWFOS-LURJTMIESA-N 0 0 193.202 1.415 10 0 ADAERN COCCc1onc(N)c1Cl 86517306 573467634 /nfs/dbraw/zinc/46/76/34/573467634.db2.gz WYQWZNPJLFQMNF-UHFFFAOYSA-N 0 0 176.603 1.099 10 0 ADAERN COC[C@H](F)c1ccc(N)cc1 107277366 573467637 /nfs/dbraw/zinc/46/76/37/573467637.db2.gz VNDNEURRXOQVNN-VIFPVBQESA-N 0 0 169.199 1.926 10 0 ADAERN COc1c(C)ccc([C@@H](C)CO)c1O 258036166 573467654 /nfs/dbraw/zinc/46/76/54/573467654.db2.gz JLZYUXZWLHLZLC-QMMMGPOBSA-N 0 0 196.246 1.805 10 0 ADAERN COCC1(O)Cc2ccccc2C1 86518371 573467667 /nfs/dbraw/zinc/46/76/67/573467667.db2.gz IRLGMCSTOIDWET-UHFFFAOYSA-N 0 0 178.231 1.163 10 0 ADAERN CC(=O)C/C=C1\C=CCO[C@H]1C 238409820 573467677 /nfs/dbraw/zinc/46/76/77/573467677.db2.gz MHACDFGDLWMTAY-CMWXKVOJSA-N 0 0 166.220 1.867 10 0 ADAERN COc1cc(O)cc(C)c1CC(C)=O 258036057 573467680 /nfs/dbraw/zinc/46/76/80/573467680.db2.gz JJPOSGTWUCECKA-UHFFFAOYSA-N 0 0 194.230 1.841 10 0 ADAERN C[C@@H]1CNc2c(O)cccc2N1C 258400685 573467685 /nfs/dbraw/zinc/46/76/85/573467685.db2.gz CDQYYPXLJJJJKZ-SSDOTTSWSA-N 0 0 178.235 1.642 10 0 ADAERN CCOC(=O)[C@@H](F)C(C)(C)C 107274015 573467693 /nfs/dbraw/zinc/46/76/93/573467693.db2.gz RSHZTMOYCHZXKV-ZCFIWIBFSA-N 0 0 162.204 1.934 10 0 ADAERN COc1cccc([C@](C)(F)CO)c1 257815851 573467699 /nfs/dbraw/zinc/46/76/99/573467699.db2.gz BJQJPMZKTBIHGD-SNVBAGLBSA-N 0 0 184.210 1.872 10 0 ADAERN C[C@@H]1CC(=O)C[C@@H]2COC[C@@H]21 238409786 573467702 /nfs/dbraw/zinc/46/77/02/573467702.db2.gz WLFBCKZOYDOMLS-ZXFLCMHBSA-N 0 0 154.209 1.248 10 0 ADAERN CCN1CCNc2cccc(CO)c21 258393174 573467703 /nfs/dbraw/zinc/46/77/03/573467703.db2.gz BFPZWUOILCHSBJ-UHFFFAOYSA-N 0 0 192.262 1.431 10 0 ADAERN CCn1c(C(C)C)cc(N)cc1=O 257815770 573467707 /nfs/dbraw/zinc/46/77/07/573467707.db2.gz CXVYYLPNXOJNKG-UHFFFAOYSA-N 0 0 180.251 1.574 10 0 ADAERN CN(C)C[C@H](F)c1ccc(O)cc1 107278730 573467714 /nfs/dbraw/zinc/46/77/14/573467714.db2.gz GMZLQSNFBFNHPL-JTQLQIEISA-N 0 0 183.226 1.964 10 0 ADAERN C[C@@H]1Nc2cc(O)ccc2SC1=O 258393185 573467721 /nfs/dbraw/zinc/46/77/21/573467721.db2.gz BFYXFKHKLZCHMZ-YFKPBYRVSA-N 0 0 195.243 1.825 10 0 ADAERN C[C@@H]1Cc2ccccc2[C@H](O)O1 238409659 573467756 /nfs/dbraw/zinc/46/77/56/573467756.db2.gz NSALHENVNTWQSC-GMSGAONNSA-N 0 0 164.204 1.639 10 0 ADAERN C[C@@H](O)c1ccc(CC2COC2)cc1 258035979 573467773 /nfs/dbraw/zinc/46/77/73/573467773.db2.gz JHPQCPCFSVUURQ-SECBINFHSA-N 0 0 192.258 1.929 10 0 ADAERN COC(=O)c1[nH]c(=O)n(C)c1C(C)C 258037237 573467778 /nfs/dbraw/zinc/46/77/78/573467778.db2.gz DEEJJGSSLKJLKL-UHFFFAOYSA-N 0 0 198.222 1.036 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C(C)(C)C 107273906 573467801 /nfs/dbraw/zinc/46/78/01/573467801.db2.gz VKEINYDOFUJQQR-HTQZYQBOSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@@H]1CC[C@H](c2ccoc2)NC1=O 238409320 573467804 /nfs/dbraw/zinc/46/78/04/573467804.db2.gz LZGYPVLUPSWHKX-VXNVDRBHSA-N 0 0 179.219 1.867 10 0 ADAERN COc1cccc2c1C1(CC1)C(=O)C2 238409087 573467818 /nfs/dbraw/zinc/46/78/18/573467818.db2.gz ROVPEHHHMSYRQB-UHFFFAOYSA-N 0 0 188.226 1.852 10 0 ADAERN CC(C)OCC1(O)CCCC1 86518314 573467827 /nfs/dbraw/zinc/46/78/27/573467827.db2.gz PGFMOLJWCPCGBS-UHFFFAOYSA-N 0 0 158.241 1.717 10 0 ADAERN CCC[C@H]1C[C@]1(N)C(=O)OCC 238230862 573467830 /nfs/dbraw/zinc/46/78/30/573467830.db2.gz RPWAUZZCSAJEGH-IONNQARKSA-N 0 0 171.240 1.067 10 0 ADAERN CC(=O)CC[C@H](C)CCO 224150368 573467836 /nfs/dbraw/zinc/46/78/36/573467836.db2.gz USNIMABDNVFBFI-ZETCQYMHSA-N 0 0 144.214 1.374 10 0 ADAERN COC(=O)[C@]1(C(C)=O)CC[C@H]1C 86501929 573467838 /nfs/dbraw/zinc/46/78/38/573467838.db2.gz GTPHYQKJCVHMAP-HZGVNTEJSA-N 0 0 170.208 1.165 10 0 ADAERN CC(C)C[C@H](O)Cc1cnn(C)c1 50542043 573467844 /nfs/dbraw/zinc/46/78/44/573467844.db2.gz XNLGBIVPMCEITG-JTQLQIEISA-N 0 0 182.267 1.370 10 0 ADAERN CN1CCc2ccc(CCON)cc21 258036084 573467135 /nfs/dbraw/zinc/46/71/35/573467135.db2.gz JKGJBFOZZGGJJV-UHFFFAOYSA-N 0 0 192.262 1.112 10 0 ADAERN CCOC(=O)[C@H](O)c1c[nH]c(C)c1C 259461331 573467141 /nfs/dbraw/zinc/46/71/41/573467141.db2.gz ABEHDLLWYXFEBO-SECBINFHSA-N 0 0 197.234 1.228 10 0 ADAERN CC(=O)[C@@H]1COc2cccc(O)c21 258036826 573467143 /nfs/dbraw/zinc/46/71/43/573467143.db2.gz KKLOFOKXXVPQLR-ZETCQYMHSA-N 0 0 178.187 1.457 10 0 ADAERN O=c1nncc(C2CCSCC2)[nH]1 257815969 573467154 /nfs/dbraw/zinc/46/71/54/573467154.db2.gz DEONSJLRJHKYTO-UHFFFAOYSA-N 0 0 197.263 1.188 10 0 ADAERN CC(C)(C)[C@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258037404 573467157 /nfs/dbraw/zinc/46/71/57/573467157.db2.gz CKKRLAMKWFWHSG-GMSGAONNSA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@@](C)(CO)CNc1cccnn1 308592814 573467190 /nfs/dbraw/zinc/46/71/90/573467190.db2.gz LBNRRFQDMPNLRN-SNVBAGLBSA-N 0 0 195.266 1.297 10 0 ADAERN Cn1c(=O)ccc2cc(Cl)cnc21 258034896 573467199 /nfs/dbraw/zinc/46/71/99/573467199.db2.gz PLOVUKLOVXLQAQ-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN CCOC[C@@]1(O)CCC[C@H](C)C1 86518139 573467207 /nfs/dbraw/zinc/46/72/07/573467207.db2.gz QDIJYZBVVQMYBS-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCOC(=O)c1cnc(OC)n1CC 259461512 573467209 /nfs/dbraw/zinc/46/72/09/573467209.db2.gz XTOIQRXBLQAJNB-UHFFFAOYSA-N 0 0 198.222 1.088 10 0 ADAERN Nc1ccccc1CCF 107278016 573467218 /nfs/dbraw/zinc/46/72/18/573467218.db2.gz IXAKKIUESKTTHP-UHFFFAOYSA-N 0 0 139.173 1.781 10 0 ADAERN CC(=O)C1[C@H](C)CC(=O)C[C@H]1C 238409331 573467220 /nfs/dbraw/zinc/46/72/20/573467220.db2.gz RDGSLWSMTPBILE-RNFRBKRXSA-N 0 0 168.236 1.827 10 0 ADAERN COc1cc(CO)cnc1C(F)F 238409059 573467229 /nfs/dbraw/zinc/46/72/29/573467229.db2.gz UJRBLQOIAMSYLL-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CC(C)[C@@H](CO)Cc1cc[nH]c1 259463768 573467248 /nfs/dbraw/zinc/46/72/48/573467248.db2.gz RGHJIDRCNZPHOE-SNVBAGLBSA-N 0 0 167.252 1.822 10 0 ADAERN CC(C)(C)[C@@H]1[NH2+]CCC[C@H]1C(=O)[O-] 107274192 573467253 /nfs/dbraw/zinc/46/72/53/573467253.db2.gz OPGFFONLPSSEMO-HTQZYQBOSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)CCCCN1C(=O)CC[C@@H]1C 308592705 573467259 /nfs/dbraw/zinc/46/72/59/573467259.db2.gz WMXLLYAUBYSQIR-VIFPVBQESA-N 0 0 197.278 1.757 10 0 ADAERN CC(=O)C[C@@H]1CCCCCN1C(N)=O 86500587 573467266 /nfs/dbraw/zinc/46/72/66/573467266.db2.gz QMDSBPYFYUYWHN-VIFPVBQESA-N 0 0 198.266 1.289 10 0 ADAERN CC(C)(C)[C@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258037408 573467269 /nfs/dbraw/zinc/46/72/69/573467269.db2.gz CKKRLAMKWFWHSG-XCBNKYQSSA-N 0 0 185.267 1.485 10 0 ADAERN Nc1noc(-c2cn[nH]c2)c1Cl 86517433 573467277 /nfs/dbraw/zinc/46/72/77/573467277.db2.gz GOIMKTFQTLWUPQ-UHFFFAOYSA-N 0 0 184.586 1.300 10 0 ADAERN CCCc1cc(C=O)n(C)n1 258393253 573467307 /nfs/dbraw/zinc/46/73/07/573467307.db2.gz BIZWPLYIANYVJA-UHFFFAOYSA-N 0 0 152.197 1.185 10 0 ADAERN COC(=O)[C@]1(C(C)=O)CC[C@@H]1C 86501931 573467310 /nfs/dbraw/zinc/46/73/10/573467310.db2.gz GTPHYQKJCVHMAP-IMTBSYHQSA-N 0 0 170.208 1.165 10 0 ADAERN CCOC[C@]1(O)CCCC[C@@H]1C 86518238 573467330 /nfs/dbraw/zinc/46/73/30/573467330.db2.gz OCKKTYJWIFVMLF-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CN1Cc2c(N)nn(C(C)(C)C)c2C1 257820640 573467340 /nfs/dbraw/zinc/46/73/40/573467340.db2.gz FSVZCIYKJHPUCZ-UHFFFAOYSA-N 0 0 194.282 1.166 10 0 ADAERN Nc1noc(CC2CC2)c1Cl 86517419 573467353 /nfs/dbraw/zinc/46/73/53/573467353.db2.gz ZYCXFGUEFJXTMH-UHFFFAOYSA-N 0 0 172.615 1.863 10 0 ADAERN CC(=O)c1cnoc1[C@@H]1CCCN1C 258396871 573467850 /nfs/dbraw/zinc/46/78/50/573467850.db2.gz BORHCKXFQGMNCN-VIFPVBQESA-N 0 0 194.234 1.644 10 0 ADAERN CC(C)OC[C@](C)(O)C1CC1 86518596 573467360 /nfs/dbraw/zinc/46/73/60/573467360.db2.gz GPGZKFMJAGDICX-VIFPVBQESA-N 0 0 158.241 1.572 10 0 ADAERN COC(=O)c1ccc2cnoc2c1C 238408681 573467378 /nfs/dbraw/zinc/46/73/78/573467378.db2.gz PTXSQOUDSXRLCY-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN CC(C)(C)[C@H](O)CF 107273951 573467409 /nfs/dbraw/zinc/46/74/09/573467409.db2.gz SBUDCAVGUUUDNE-RXMQYKEDSA-N 0 0 120.167 1.363 10 0 ADAERN COCCCc1cc(C=O)no1 258400715 573467411 /nfs/dbraw/zinc/46/74/11/573467411.db2.gz CEBVYMMEVVKWSG-UHFFFAOYSA-N 0 0 169.180 1.066 10 0 ADAERN OCCc1ocnc1-c1ccccc1 141389300 573467447 /nfs/dbraw/zinc/46/74/47/573467447.db2.gz HUBNWLCTGNYTAJ-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN C[C@H]1COc2cccc(O)c2NC1=O 258390842 573467449 /nfs/dbraw/zinc/46/74/49/573467449.db2.gz BEDMQIVDGMRYHW-LURJTMIESA-N 0 0 193.202 1.359 10 0 ADAERN CCCc1csc2nc(NC)nn12 259100314 573467455 /nfs/dbraw/zinc/46/74/55/573467455.db2.gz HJSSDPXWURALKN-UHFFFAOYSA-N 0 0 196.279 1.785 10 0 ADAERN COc1cccc([C@@](C)(F)CO)c1 257815850 573467465 /nfs/dbraw/zinc/46/74/65/573467465.db2.gz BJQJPMZKTBIHGD-JTQLQIEISA-N 0 0 184.210 1.872 10 0 ADAERN CC(C)(C)[C@@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258037406 573467470 /nfs/dbraw/zinc/46/74/70/573467470.db2.gz CKKRLAMKWFWHSG-OIBJUYFYSA-N 0 0 185.267 1.485 10 0 ADAERN COC(=O)/C=C\C1CCC1 258357413 573467474 /nfs/dbraw/zinc/46/74/74/573467474.db2.gz YYPDYEYCJYMCBP-WAYWQWQTSA-N 0 0 140.182 1.516 10 0 ADAERN CC[C@@H](CO)c1nc2ccccn2n1 259461031 573467475 /nfs/dbraw/zinc/46/74/75/573467475.db2.gz LGDSQINNLDWZOY-QMMMGPOBSA-N 0 0 191.234 1.215 10 0 ADAERN COC(=O)c1ccc2cnsc2n1 238408823 573467479 /nfs/dbraw/zinc/46/74/79/573467479.db2.gz ZLVCWIJSXSMMCO-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN CCCc1nnc2cc(N)ccn12 258393992 573467482 /nfs/dbraw/zinc/46/74/82/573467482.db2.gz UOUWWPHUHDXSEF-UHFFFAOYSA-N 0 0 176.223 1.264 10 0 ADAERN C[C@@H]1CC[C@H]2CC(=O)C[C@@H]2C1=O 238409708 573467493 /nfs/dbraw/zinc/46/74/93/573467493.db2.gz LOKCXKTXKSSVEZ-FJXKBIBVSA-N 0 0 166.220 1.581 10 0 ADAERN CCOC[C@@](C)(O)C1CC1 86518594 573467503 /nfs/dbraw/zinc/46/75/03/573467503.db2.gz LLOSFUBZDSBELT-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN COc1c(F)ccc(F)c1CNO 258036186 573467509 /nfs/dbraw/zinc/46/75/09/573467509.db2.gz JMJOZKVYBSUHRZ-UHFFFAOYSA-N 0 0 189.161 1.452 10 0 ADAERN OC[C@@H]1CCCc2cccc(O)c21 257815519 573467513 /nfs/dbraw/zinc/46/75/13/573467513.db2.gz CVUQFNSPSNVVNO-VIFPVBQESA-N 0 0 178.231 1.804 10 0 ADAERN C[C@@H]1Cc2ccsc2[C@@H]1O 238409826 573467543 /nfs/dbraw/zinc/46/75/43/573467543.db2.gz PVMILLPKQRIEGW-IYSWYEEDSA-N 0 0 154.234 1.974 10 0 ADAERN OCC[C@@H]1CCc2ccccc2O1 141382860 573467560 /nfs/dbraw/zinc/46/75/60/573467560.db2.gz VIDWVCCCBOXZME-JTQLQIEISA-N 0 0 178.231 1.763 10 0 ADAERN COC[C@@]1(O)CCCc2ccccc21 86518344 573467593 /nfs/dbraw/zinc/46/75/93/573467593.db2.gz GRGUCVPIFFFBRF-LBPRGKRZSA-N 0 0 192.258 1.857 10 0 ADAERN Cn1ccc(-c2cccc(N)c2)c1N 258037324 573467596 /nfs/dbraw/zinc/46/75/96/573467596.db2.gz DFMSJEIUSNSZAJ-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN CC(C)(C)n1ncc(CO)c1Cl 258035639 573467607 /nfs/dbraw/zinc/46/76/07/573467607.db2.gz QPPXVCSQHQQFBY-UHFFFAOYSA-N 0 0 188.658 1.784 10 0 ADAERN O=Cc1ccc(N(CCO)C2CC2)o1 50544301 573472071 /nfs/dbraw/zinc/47/20/71/573472071.db2.gz BYMQDDFLKDDQFH-UHFFFAOYSA-N 0 0 195.218 1.053 10 0 ADAERN COc1ccc(CNO)cc1Cl 75067922 573472078 /nfs/dbraw/zinc/47/20/78/573472078.db2.gz LHZZWHOIQYNVCE-UHFFFAOYSA-N 0 0 187.626 1.827 10 0 ADAERN COc1nc2c(C)cccn2n1 259463341 573472083 /nfs/dbraw/zinc/47/20/83/573472083.db2.gz LIOFUXFBQOKSKC-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN COCC(=O)[C@H]1CC[C@@H](C)C1 86521962 573472109 /nfs/dbraw/zinc/47/21/09/573472109.db2.gz RZZXYQTZSXSBKK-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN COC[C@H](O)c1ncccc1C 86522620 573472123 /nfs/dbraw/zinc/47/21/23/573472123.db2.gz BZCUEFXPSSBJIG-QMMMGPOBSA-N 0 0 167.208 1.070 10 0 ADAERN Cc1cc(NCc2ccc[nH]2)on1 83340303 573472142 /nfs/dbraw/zinc/47/21/42/573472142.db2.gz UYXAWAITZVCYBD-UHFFFAOYSA-N 0 0 177.207 1.923 10 0 ADAERN COC[C@]1(O)CCC[C@@H](C)CC1 86520806 573472151 /nfs/dbraw/zinc/47/21/51/573472151.db2.gz LADLRPDNOIAUBM-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@@]1(O)CCC[C@H]1C 86520693 573472157 /nfs/dbraw/zinc/47/21/57/573472157.db2.gz QDCOWTHUQVRYAE-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN CC[C@@H](O)[C@H]1Cc2ccccc2N1 83388899 573472159 /nfs/dbraw/zinc/47/21/59/573472159.db2.gz GKNATRLRJABRRK-GHMZBOCLSA-N 0 0 177.247 1.794 10 0 ADAERN O=Cc1ccc(/C=C/OCCO)o1 214557143 573472167 /nfs/dbraw/zinc/47/21/67/573472167.db2.gz FLDSIGBGSMNLQJ-HWKANZROSA-N 0 0 182.175 1.072 10 0 ADAERN CN(c1ccc[nH]1)C1CCC(O)CC1 258664172 573472200 /nfs/dbraw/zinc/47/22/00/573472200.db2.gz BTEFCKPHLABYRL-UHFFFAOYSA-N 0 0 194.278 1.754 10 0 ADAERN COC[C@H](O)c1cccc(C)n1 86522872 573472212 /nfs/dbraw/zinc/47/22/12/573472212.db2.gz BCCWEQZENQHYFN-VIFPVBQESA-N 0 0 167.208 1.070 10 0 ADAERN CC(C)OC[C@]1(O)CC[C@H](C)C1 86520331 573472223 /nfs/dbraw/zinc/47/22/23/573472223.db2.gz WUVGXLYCUMAAJK-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN C=C=CC[C@H](C)C(C)=O 238410156 573472226 /nfs/dbraw/zinc/47/22/26/573472226.db2.gz CZXWZLGUKWLCPL-ZETCQYMHSA-N 0 0 124.183 1.943 10 0 ADAERN CC(C)OC[C@]1(O)CCO[C@@H](C)C1 86520034 573472230 /nfs/dbraw/zinc/47/22/30/573472230.db2.gz HKXFYEMEOOFSOR-UWVGGRQHSA-N 0 0 188.267 1.341 10 0 ADAERN COC[C@]1(O)CC[C@@H](C)[C@@H](C)C1 86520464 573472239 /nfs/dbraw/zinc/47/22/39/573472239.db2.gz JDYZWZFLGLQQQN-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN COCC(=O)[C@@H]1CCc2ccccc21 86522053 573472251 /nfs/dbraw/zinc/47/22/51/573472251.db2.gz GSQWYILNPBIPQC-LLVKDONJSA-N 0 0 190.242 1.932 10 0 ADAERN CC[C@@]1(C)C[C@@](O)(COC)CCO1 86520184 573472262 /nfs/dbraw/zinc/47/22/62/573472262.db2.gz VSYXYTGSFOQTGG-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN COC(=O)[C@H]1CCC[C@@H](C2CC2)N1 259465716 573472279 /nfs/dbraw/zinc/47/22/79/573472279.db2.gz ASWOBNFFDYUGJF-DTWKUNHWSA-N 0 0 183.251 1.080 10 0 ADAERN CCOC[C@]1(O)CC[C@@H](C)C1 86520320 573472287 /nfs/dbraw/zinc/47/22/87/573472287.db2.gz PGSRFTQVBARZBY-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN COC(=O)C[C@H]1CCc2ncn(C)c21 259462848 573472302 /nfs/dbraw/zinc/47/23/02/573472302.db2.gz AIQNCSCDBGMDOD-SSDOTTSWSA-N 0 0 194.234 1.013 10 0 ADAERN CC1(C)C[NH2+][C@@](C)(c2cccnc2)O1 258663495 573472309 /nfs/dbraw/zinc/47/23/09/573472309.db2.gz SOIPIMDVSLWTBM-LLVKDONJSA-N 0 0 192.262 1.653 10 0 ADAERN C[C@H](N)c1nnc([C@@H]2CC=CCC2)o1 83341970 573472322 /nfs/dbraw/zinc/47/23/22/573472322.db2.gz HGZHYOVIQMTRPE-JGVFFNPUSA-N 0 0 193.250 1.913 10 0 ADAERN COc1cccc2c(N)nc(C)nc12 257820744 573472344 /nfs/dbraw/zinc/47/23/44/573472344.db2.gz FWTLFLVYKLGMPB-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN COc1cc(CON)ccc1C 238410075 573472347 /nfs/dbraw/zinc/47/23/47/573472347.db2.gz COJXMKWGBRGGKA-UHFFFAOYSA-N 0 0 167.208 1.394 10 0 ADAERN CN1CC(C)(C)Nc2cc(N)ccc21 258398790 573472349 /nfs/dbraw/zinc/47/23/49/573472349.db2.gz BWJXAETUBVBKLK-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN COC[C@@H](O)c1ncccc1C 86522618 573472876 /nfs/dbraw/zinc/47/28/76/573472876.db2.gz BZCUEFXPSSBJIG-MRVPVSSYSA-N 0 0 167.208 1.070 10 0 ADAERN COC(=O)c1ccc2oc(C)nc2n1 238410127 573472365 /nfs/dbraw/zinc/47/23/65/573472365.db2.gz SJHFIBRWSPHBBH-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN CN(C)C[C@@H](F)c1cccc(O)c1 107279131 573472385 /nfs/dbraw/zinc/47/23/85/573472385.db2.gz XXOYJJSDNLJSOL-SNVBAGLBSA-N 0 0 183.226 1.964 10 0 ADAERN CCCC[C@@H](NN)[C@H]1CCCCO1 130116498 573472386 /nfs/dbraw/zinc/47/23/86/573472386.db2.gz SSRYYQQVULKANH-NXEZZACHSA-N 0 0 186.299 1.578 10 0 ADAERN COC[C@@H](O)[C@H]1CCc2ccccc21 86523421 573472396 /nfs/dbraw/zinc/47/23/96/573472396.db2.gz ZNIFWAYPLDQOMR-NWDGAFQWSA-N 0 0 192.258 1.724 10 0 ADAERN CONCc1cccc2[nH]ccc12 75067710 573472400 /nfs/dbraw/zinc/47/24/00/573472400.db2.gz PSZCZJZAFUYPFM-UHFFFAOYSA-N 0 0 176.219 1.819 10 0 ADAERN COC(=O)[C@H](CC[C@H](C)O)C(C)C 388689882 573472404 /nfs/dbraw/zinc/47/24/04/573472404.db2.gz KMBHVVMZMPWTLU-DTWKUNHWSA-N 0 0 188.267 1.593 10 0 ADAERN O=C1CC2(CCSCC2)CO1 257820855 573472408 /nfs/dbraw/zinc/47/24/08/573472408.db2.gz FSJJXONAQMTSON-UHFFFAOYSA-N 0 0 172.249 1.447 10 0 ADAERN COC[C@@H](O)[C@H]1CC=CCC1 86519854 573472413 /nfs/dbraw/zinc/47/24/13/573472413.db2.gz YFQKIUBROSBMII-DTWKUNHWSA-N 0 0 156.225 1.350 10 0 ADAERN Cc1cc(O)ccc1C(N)=S 83339886 573472417 /nfs/dbraw/zinc/47/24/17/573472417.db2.gz LZKVCSBRQNWMSQ-UHFFFAOYSA-N 0 0 167.233 1.335 10 0 ADAERN CN1C(=O)CCc2cc(Cl)cnc21 258037602 573472418 /nfs/dbraw/zinc/47/24/18/573472418.db2.gz PSXSCXMHJSTINQ-UHFFFAOYSA-N 0 0 196.637 1.644 10 0 ADAERN CCOC[C@@]1(O)CC[C@@H](C)C1 86520323 573472422 /nfs/dbraw/zinc/47/24/22/573472422.db2.gz PGSRFTQVBARZBY-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CCC[C@H]1CCN(/C=C\C(=O)OC)C1 308391355 573472423 /nfs/dbraw/zinc/47/24/23/573472423.db2.gz LURVRVSQAHMPIJ-ZEBCKKTISA-N 0 0 197.278 1.795 10 0 ADAERN CC(C)OC[C@]1(O)CC[C@@H](C)C1 86520329 573472428 /nfs/dbraw/zinc/47/24/28/573472428.db2.gz WUVGXLYCUMAAJK-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN COC[C@@]1(O)CCO[C@@H](C(C)C)C1 86520136 573472435 /nfs/dbraw/zinc/47/24/35/573472435.db2.gz RDRKRXWHIFTRKU-NXEZZACHSA-N 0 0 188.267 1.199 10 0 ADAERN O[C@@H]1CC[C@H](Oc2ccccn2)C1 259466148 573472450 /nfs/dbraw/zinc/47/24/50/573472450.db2.gz GWLVXVWHRJLBQR-BDAKNGLRSA-N 0 0 179.219 1.374 10 0 ADAERN CC[C@]1(C)C[C@@](O)(COC)CCO1 86520182 573472454 /nfs/dbraw/zinc/47/24/54/573472454.db2.gz VSYXYTGSFOQTGG-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CCOC[C@]1(O)CC[C@H](C)C1 86520316 573472463 /nfs/dbraw/zinc/47/24/63/573472463.db2.gz PGSRFTQVBARZBY-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN O=c1cc(CC[C@H]2CCCC[NH2+]2)o[n-]1 107283030 573472486 /nfs/dbraw/zinc/47/24/86/573472486.db2.gz WBOATCYELZUBNO-MRVPVSSYSA-N 0 0 196.250 1.043 10 0 ADAERN CN(C)C[C@@H](F)c1ccccc1O 107279516 573472500 /nfs/dbraw/zinc/47/25/00/573472500.db2.gz XVZXVFQHQKUGAA-SECBINFHSA-N 0 0 183.226 1.964 10 0 ADAERN CCOC[C@@H](O)C1CCC1 86523016 573472515 /nfs/dbraw/zinc/47/25/15/573472515.db2.gz JZFIKLMGHSOBBT-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN CCOC[C@@H](O)CCSC 86519876 573472521 /nfs/dbraw/zinc/47/25/21/573472521.db2.gz LKMWLMDQGUHGIC-ZETCQYMHSA-N 0 0 164.270 1.137 10 0 ADAERN CCCOCC(=O)CSC 86521520 573472525 /nfs/dbraw/zinc/47/25/25/573472525.db2.gz IVONBEGIXXWVEH-UHFFFAOYSA-N 0 0 162.254 1.345 10 0 ADAERN COC[C@@H](O)[C@H]1Cc2ccccc21 86523028 573472530 /nfs/dbraw/zinc/47/25/30/573472530.db2.gz CTJWHYCIOQHHNW-WDEREUQCSA-N 0 0 178.231 1.334 10 0 ADAERN COC[C@H](O)[C@H]1CCc2ccccc21 86523419 573472535 /nfs/dbraw/zinc/47/25/35/573472535.db2.gz ZNIFWAYPLDQOMR-RYUDHWBXSA-N 0 0 192.258 1.724 10 0 ADAERN CSC(NC(C)=O)=C(C)C 238410014 573472541 /nfs/dbraw/zinc/47/25/41/573472541.db2.gz 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573484056 /nfs/dbraw/zinc/48/40/56/573484056.db2.gz JDQNWGWKTWMLDN-UHFFFAOYSA-N 0 0 160.282 1.901 10 0 ADAERN O=C1CCCN1CC[C@@H]1CCC[C@@H]1O 86547616 573484063 /nfs/dbraw/zinc/48/40/63/573484063.db2.gz LLAXMRPMROKUCZ-UWVGGRQHSA-N 0 0 197.278 1.160 10 0 ADAERN C[C@@H]1CCC[C@@]1(CC(=O)[O-])[NH+](C)C 83408702 573484066 /nfs/dbraw/zinc/48/40/66/573484066.db2.gz AHJONQFEHSBEHT-SCZZXKLOSA-N 0 0 185.267 1.582 10 0 ADAERN COc1ncc(F)cc1[C@H]([NH3+])C1CC1 238415088 573484069 /nfs/dbraw/zinc/48/40/69/573484069.db2.gz SHGKEDPSFMEERV-SECBINFHSA-N 0 0 196.225 1.639 10 0 ADAERN Cc1c([C@@H](O)C(F)(F)F)cnn1C 86552703 573484093 /nfs/dbraw/zinc/48/40/93/573484093.db2.gz CUBNQHDHJJXCDF-ZCFIWIBFSA-N 0 0 194.156 1.324 10 0 ADAERN COc1cc([C@@H](N)C(F)(F)F)c[nH]1 238414723 573484115 /nfs/dbraw/zinc/48/41/15/573484115.db2.gz SDPZXNQBGCIHML-ZCFIWIBFSA-N 0 0 194.156 1.585 10 0 ADAERN C[C@@]12C=CCC(=O)[C@H]1CCC2=O 238415218 573484123 /nfs/dbraw/zinc/48/41/23/573484123.db2.gz CUGMPVASLKFLME-GMSGAONNSA-N 0 0 164.204 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259479086 573503195 /nfs/dbraw/zinc/50/31/95/573503195.db2.gz PABZCQHQPVKISW-SNVBAGLBSA-N 0 0 194.274 1.971 10 0 ADAERN O=Cc1onc2c1CSC2 107322178 573503231 /nfs/dbraw/zinc/50/32/31/573503231.db2.gz SJMQJXUGMGZQHD-UHFFFAOYSA-N 0 0 155.178 1.234 10 0 ADAERN CSc1onc2c1CCNC2 107322354 573503240 /nfs/dbraw/zinc/50/32/40/573503240.db2.gz NQXMHCRVAVPANB-UHFFFAOYSA-N 0 0 170.237 1.042 10 0 ADAERN COc1ccc(CC(C)C)nn1 259481194 573503275 /nfs/dbraw/zinc/50/32/75/573503275.db2.gz PDJJCFPXUQVLKB-UHFFFAOYSA-N 0 0 166.224 1.684 10 0 ADAERN CC(C)[C@H](CO)CC1(C)COC1 258710619 573503283 /nfs/dbraw/zinc/50/32/83/573503283.db2.gz YRQRWPQQWVNOCI-VIFPVBQESA-N 0 0 172.268 1.678 10 0 ADAERN Cc1ccc([C@@H]2N[C@H](C)CO2)o1 258709201 573503307 /nfs/dbraw/zinc/50/33/07/573503307.db2.gz UWSSYZVQQRXBFT-HZGVNTEJSA-N 0 0 167.208 1.595 10 0 ADAERN CC(C)CCc1cnc(N)o1 258713361 573503320 /nfs/dbraw/zinc/50/33/20/573503320.db2.gz ZBCYIJMFKGNMKO-UHFFFAOYSA-N 0 0 154.213 1.845 10 0 ADAERN CC(C)(CO)c1ccc(CNO)cc1 259481072 573503327 /nfs/dbraw/zinc/50/33/27/573503327.db2.gz PCFLQRHTSSJNRM-UHFFFAOYSA-N 0 0 195.262 1.435 10 0 ADAERN COc1cc([C@@H](C)O)c(C=O)cc1O 258050517 573503356 /nfs/dbraw/zinc/50/33/56/573503356.db2.gz KQTIFSRWWOKZHZ-ZCFIWIBFSA-N 0 0 196.202 1.267 10 0 ADAERN CC(C)[C@@](C)(CO)CC1COC1 258499764 573503358 /nfs/dbraw/zinc/50/33/58/573503358.db2.gz DDXVYQQIXJUOBU-SNVBAGLBSA-N 0 0 172.268 1.678 10 0 ADAERN O=C(OCCc1ccoc1)C1CC1 308398939 573503365 /nfs/dbraw/zinc/50/33/65/573503365.db2.gz HALZIGFABJEEFE-UHFFFAOYSA-N 0 0 180.203 1.775 10 0 ADAERN CCc1cc(N)nc([C@H](C)OC)n1 86590674 573503367 /nfs/dbraw/zinc/50/33/67/573503367.db2.gz DICCJFXLVKMRTD-LURJTMIESA-N 0 0 181.239 1.329 10 0 ADAERN CC[C@H](CO)C1(c2ccc[nH]2)COC1 259110389 573503370 /nfs/dbraw/zinc/50/33/70/573503370.db2.gz FZMCWSPINROPMU-SECBINFHSA-N 0 0 195.262 1.301 10 0 ADAERN OCC1(c2ccccc2F)COC1 258715507 573503387 /nfs/dbraw/zinc/50/33/87/573503387.db2.gz ZCOIKFODTJBTNL-UHFFFAOYSA-N 0 0 182.194 1.086 10 0 ADAERN 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/nfs/dbraw/zinc/50/48/89/573504889.db2.gz VEAAQZMPBAZRHO-IONNQARKSA-N 0 0 167.208 1.461 10 0 ADAERN O=C1CCN([C@@H]2CCCC(=O)C2)CC1 86600741 573504926 /nfs/dbraw/zinc/50/49/26/573504926.db2.gz WUNPVHPGRHFVBG-SECBINFHSA-N 0 0 195.262 1.163 10 0 ADAERN CCC[C@H]1CCC[C@](O)(C(N)=O)CC1 83438207 573504932 /nfs/dbraw/zinc/50/49/32/573504932.db2.gz RQLBZDIKGJEKAE-GXSJLCMTSA-N 0 0 199.294 1.583 10 0 ADAERN CC(=O)COc1cnn(C(C)C)c1 258709138 573504947 /nfs/dbraw/zinc/50/49/47/573504947.db2.gz UVTQCLHSIBKLAR-UHFFFAOYSA-N 0 0 182.223 1.432 10 0 ADAERN Nc1cc(O)ccc1C1CCOCC1 259481489 573504953 /nfs/dbraw/zinc/50/49/53/573504953.db2.gz ORRVLTDNLRRIKB-UHFFFAOYSA-N 0 0 193.246 1.868 10 0 ADAERN Cc1cn2c(n1)CCC[C@@H]2CO 258049379 573504955 /nfs/dbraw/zinc/50/49/55/573504955.db2.gz AHZGEGVCDUAKQK-MRVPVSSYSA-N 0 0 166.224 1.061 10 0 ADAERN C[C@@H]1NCC(c2ccccc2)=NO1 238418805 573504966 /nfs/dbraw/zinc/50/49/66/573504966.db2.gz YTMIYKDGXHQWMW-MRVPVSSYSA-N 0 0 176.219 1.357 10 0 ADAERN CCC(CC)N[C@H]1C[C@@H](C)OC1=O 308396152 573504990 /nfs/dbraw/zinc/50/49/90/573504990.db2.gz DGSVTNJJFHGVIC-APPZFPTMSA-N 0 0 185.267 1.469 10 0 ADAERN CC(=O)[C@@H](C)c1nonc1C 238419650 573505001 /nfs/dbraw/zinc/50/50/01/573505001.db2.gz BLLVMZZQHFKZMV-SCSAIBSYSA-N 0 0 154.169 1.071 10 0 ADAERN Cn1ccc(C[C@H]2CC[C@@H](O)C2)n1 124524026 573505047 /nfs/dbraw/zinc/50/50/47/573505047.db2.gz QRUVYMASZUSPBD-PSASIEDQSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@@]1(c2ccco2)NCCO1 258713713 573505054 /nfs/dbraw/zinc/50/50/54/573505054.db2.gz VCKJCALIZKDVDB-MRVPVSSYSA-N 0 0 153.181 1.072 10 0 ADAERN Cc1sc(=O)[nH]c1-c1ccncc1 75224496 573505063 /nfs/dbraw/zinc/50/50/63/573505063.db2.gz UNYBQTUUJMFRNT-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CO[C@H](C)c1noc(C2CC(O)C2)n1 86591873 573505065 /nfs/dbraw/zinc/50/50/65/573505065.db2.gz IDSWOMOANJNUNC-GRQBKTHUSA-N 0 0 198.222 1.015 10 0 ADAERN C[C@@H]1COCC[N@@H+]1[C@@H]1CCCC(=O)C1 86600017 573505074 /nfs/dbraw/zinc/50/50/74/573505074.db2.gz FCUCDWOPPIFXAP-NXEZZACHSA-N 0 0 197.278 1.219 10 0 ADAERN Cc1cc(CCCO)cc(O)c1C 258048364 573505088 /nfs/dbraw/zinc/50/50/88/573505088.db2.gz QYYYSWAHDXWSRU-UHFFFAOYSA-N 0 0 180.247 1.934 10 0 ADAERN OCc1nc(C2CCC2)co1 258501066 573505091 /nfs/dbraw/zinc/50/50/91/573505091.db2.gz KWRFSGDJJKQZIO-UHFFFAOYSA-N 0 0 153.181 1.434 10 0 ADAERN C[C@@H]1CCC[C@H](C/C=C/CO)C1=O 238418931 573505092 /nfs/dbraw/zinc/50/50/92/573505092.db2.gz HPUOKQUDACZGOH-NBYFHADBSA-N 0 0 182.263 1.930 10 0 ADAERN O=Cc1noc2c1CCSC2 107322307 573505102 /nfs/dbraw/zinc/50/51/02/573505102.db2.gz WHMKCWWKJNMSSX-UHFFFAOYSA-N 0 0 169.205 1.276 10 0 ADAERN Nc1ccc(C[C@@H]2CCCOC2)nn1 259479132 573505108 /nfs/dbraw/zinc/50/51/08/573505108.db2.gz PAIDSXTXSVGEGJ-QMMMGPOBSA-N 0 0 193.250 1.028 10 0 ADAERN COc1[nH]cc(O)c(=O)c1C(F)F 238419727 573505120 /nfs/dbraw/zinc/50/51/20/573505120.db2.gz NHERYUBHVWOISV-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN CC(C)(C)c1cnn2c(N)ccnc12 259479030 573505121 /nfs/dbraw/zinc/50/51/21/573505121.db2.gz OLHAKBYCTHJGTF-UHFFFAOYSA-N 0 0 190.250 1.609 10 0 ADAERN C[C@@H]1CO[C@@](C)(c2ccco2)N1 258718220 573505136 /nfs/dbraw/zinc/50/51/36/573505136.db2.gz VEAAQZMPBAZRHO-APPZFPTMSA-N 0 0 167.208 1.461 10 0 ADAERN CO[C@@H](C)c1noc(C2CC(O)C2)n1 86591871 573505143 /nfs/dbraw/zinc/50/51/43/573505143.db2.gz IDSWOMOANJNUNC-VTSJMVTISA-N 0 0 198.222 1.015 10 0 ADAERN Cn1ccc(C[C@@H]2CCC[C@@H](O)C2)n1 124524706 573505175 /nfs/dbraw/zinc/50/51/75/573505175.db2.gz AXXJYBPRIXOFJT-GXSJLCMTSA-N 0 0 194.278 1.514 10 0 ADAERN O=C([O-])C1(C[NH+]2CCC2)CCCCC1 214905904 573505184 /nfs/dbraw/zinc/50/51/84/573505184.db2.gz DROPHNDQBCAGOB-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@](O)(CCO)C1 238419679 573505194 /nfs/dbraw/zinc/50/51/94/573505194.db2.gz QFJKCNWXQCLEPS-KOLCDFICSA-N 0 0 186.295 1.946 10 0 ADAERN C[C@@H]1N[C@H](C)N(CC2(C)CCC2)C1=O 235610940 573505203 /nfs/dbraw/zinc/50/52/03/573505203.db2.gz PDDQSHNGVPGFSC-IUCAKERBSA-N 0 0 196.294 1.343 10 0 ADAERN COc1nccc(CC(C)C)n1 259108868 573505227 /nfs/dbraw/zinc/50/52/27/573505227.db2.gz OOVGWMRUKDGSPA-UHFFFAOYSA-N 0 0 166.224 1.684 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]C[C@@H]1CC1CCC1 214906372 573505253 /nfs/dbraw/zinc/50/52/53/573505253.db2.gz JAYOLQSRSFYNPA-UWVGGRQHSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1ccc(F)c([C@@H](C)CO)c1O 258050532 573505278 /nfs/dbraw/zinc/50/52/78/573505278.db2.gz KQWRJWDEMHVJIJ-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN Cc1cccc(N(C)C)c1C(=O)CN 259481108 573505283 /nfs/dbraw/zinc/50/52/83/573505283.db2.gz PCKZZAOMMHLQII-UHFFFAOYSA-N 0 0 192.262 1.202 10 0 ADAERN CO[C@]12CCCC[C@@H]1C(=O)C2 238419044 573505291 /nfs/dbraw/zinc/50/52/91/573505291.db2.gz NJFHXPRPQGCSIO-APPZFPTMSA-N 0 0 154.209 1.535 10 0 ADAERN CCO[C@H](C)CNC(=O)[C@H](C)CC 308400395 573505292 /nfs/dbraw/zinc/50/52/92/573505292.db2.gz GTWJJHAVDCXXKH-RKDXNWHRSA-N 0 0 187.283 1.574 10 0 ADAERN Cc1ccc([C@H]2N[C@@H](C)CO2)o1 258709210 573505297 /nfs/dbraw/zinc/50/52/97/573505297.db2.gz UWSSYZVQQRXBFT-RCOVLWMOSA-N 0 0 167.208 1.595 10 0 ADAERN CSc1ncc2c(n1)CCC2=O 107321304 573505301 /nfs/dbraw/zinc/50/53/01/573505301.db2.gz DDAYDGWQOAXENY-UHFFFAOYSA-N 0 0 180.232 1.327 10 0 ADAERN COc1ccc(C)c(F)c1CCO 258050497 573505321 /nfs/dbraw/zinc/50/53/21/573505321.db2.gz KQOXAEVFEWWXNW-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN Nc1ccc(C[C@H]2CCCOC2)nn1 259479127 573505322 /nfs/dbraw/zinc/50/53/22/573505322.db2.gz PAIDSXTXSVGEGJ-MRVPVSSYSA-N 0 0 193.250 1.028 10 0 ADAERN COc1nncc(C2CCCC2)c1N 258050110 573505357 /nfs/dbraw/zinc/50/53/57/573505357.db2.gz UJOAZWBMIALIGH-UHFFFAOYSA-N 0 0 193.250 1.725 10 0 ADAERN C[C@@H]1N[C@H](C)N(C(C)(C)C2CC2)C1=O 235610793 573505368 /nfs/dbraw/zinc/50/53/68/573505368.db2.gz WUSTVJHRSOCOAU-YUMQZZPRSA-N 0 0 196.294 1.341 10 0 ADAERN CSCc1ccc(N)cc1O 258049874 573505393 /nfs/dbraw/zinc/50/53/93/573505393.db2.gz FLGGXWNROFBFJQ-UHFFFAOYSA-N 0 0 169.249 1.837 10 0 ADAERN CO[C@]12CCCC[C@H]1[C@@H](C)C2=O 238419144 573505397 /nfs/dbraw/zinc/50/53/97/573505397.db2.gz NAESWOBVJXIPTN-KHQFGBGNSA-N 0 0 168.236 1.781 10 0 ADAERN CSc1onc2c1CCC2 107322514 573505417 /nfs/dbraw/zinc/50/54/17/573505417.db2.gz SJSCNEGYPUJJHF-UHFFFAOYSA-N 0 0 155.222 1.885 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]([NH3+])c1ccccn1 259481090 573505431 /nfs/dbraw/zinc/50/54/31/573505431.db2.gz SJJACXCGNZJMFL-GMSGAONNSA-N 0 0 194.234 1.192 10 0 ADAERN C[C@H]1C=C([C@H]([NH3+])C(=O)[O-])CC(C)(C)C1 238419099 573505437 /nfs/dbraw/zinc/50/54/37/573505437.db2.gz MDPOPCULSBFZGT-CBAPKCEASA-N 0 0 197.278 1.781 10 0 ADAERN CCOC1CC(C(=O)OC2CC2)C1 308400035 573505442 /nfs/dbraw/zinc/50/54/42/573505442.db2.gz GOIWHNQRGZGOJM-UHFFFAOYSA-N 0 0 184.235 1.507 10 0 ADAERN CC(C)(C[C@@H]([NH3+])C1CCC1)C(=O)[O-] 259481068 573505454 /nfs/dbraw/zinc/50/54/54/573505454.db2.gz SJFARTYSPVZJGA-MRVPVSSYSA-N 0 0 185.267 1.615 10 0 ADAERN Nc1cc(C2CCC2)nnc1Cl 258050175 573505506 /nfs/dbraw/zinc/50/55/06/573505506.db2.gz UKJJNYGFNMUMBD-UHFFFAOYSA-N 0 0 183.642 1.980 10 0 ADAERN COCCc1cccc([C@@H](C)CO)c1 259479083 573505522 /nfs/dbraw/zinc/50/55/22/573505522.db2.gz PABZCQHQPVKISW-JTQLQIEISA-N 0 0 194.274 1.971 10 0 ADAERN Cn1ccc(C[C@H]2CCC[C@@H](O)C2)n1 124524925 573507008 /nfs/dbraw/zinc/50/70/08/573507008.db2.gz AXXJYBPRIXOFJT-MWLCHTKSSA-N 0 0 194.278 1.514 10 0 ADAERN Cc1nnc([C@@H]2CCO[C@H]2C)[nH]1 86758517 573606567 /nfs/dbraw/zinc/60/65/67/573606567.db2.gz LJSYWIQEDIKAQL-CAHLUQPWSA-N 0 0 167.212 1.006 10 0 ADAERN O=C1CC=CC[C@]2(O)CCC[C@H]12 223192669 573606570 /nfs/dbraw/zinc/60/65/70/573606570.db2.gz FNZRGPGYVDMUNV-SCZZXKLOSA-N 0 0 166.220 1.437 10 0 ADAERN COC(=O)C(C)(C)C(=O)c1ccc[nH]1 259124302 573606578 /nfs/dbraw/zinc/60/65/78/573606578.db2.gz IXDLPCHMWSCSFR-UHFFFAOYSA-N 0 0 195.218 1.397 10 0 ADAERN CCC(CC)CN1C(=O)[C@H](C)N[C@H]1C 130575548 573606590 /nfs/dbraw/zinc/60/65/90/573606590.db2.gz PRYRBHDHXWSPGJ-DTWKUNHWSA-N 0 0 198.310 1.589 10 0 ADAERN CCn1ccnc1C[C@@H]1CCC[C@H]1O 86753257 573606598 /nfs/dbraw/zinc/60/65/98/573606598.db2.gz BZPASQYQSISLDM-VHSXEESVSA-N 0 0 194.278 1.607 10 0 ADAERN OCSc1ccc(F)cc1 259140652 573606608 /nfs/dbraw/zinc/60/66/08/573606608.db2.gz DRHJCZJLPQJFOG-UHFFFAOYSA-N 0 0 158.197 1.868 10 0 ADAERN O=C1CC=CC[C@]2(O)CCC[C@@H]12 223192719 573606612 /nfs/dbraw/zinc/60/66/12/573606612.db2.gz FNZRGPGYVDMUNV-WPRPVWTQSA-N 0 0 166.220 1.437 10 0 ADAERN CNc1ncc(-c2ccc[nH]2)o1 259125072 573606625 /nfs/dbraw/zinc/60/66/25/573606625.db2.gz LKZKKKAJYCEALE-UHFFFAOYSA-N 0 0 163.180 1.711 10 0 ADAERN CCn1ccnc1C[C@H]1CCCC1=O 86753283 573606633 /nfs/dbraw/zinc/60/66/33/573606633.db2.gz QWDURSHUIYBFAW-SECBINFHSA-N 0 0 192.262 1.815 10 0 ADAERN CC(C)Cc1csc(C(N)=O)n1 259124254 573606668 /nfs/dbraw/zinc/60/66/68/573606668.db2.gz CELHJJZBXCVOHM-UHFFFAOYSA-N 0 0 184.264 1.441 10 0 ADAERN CCOC(=N)c1ccc(N)cc1 224394238 573606681 /nfs/dbraw/zinc/60/66/81/573606681.db2.gz FAVIHIVXZPSWKR-UHFFFAOYSA-N 0 0 164.208 1.631 10 0 ADAERN CCC(CC)CN1C(=O)CN[C@@H]1CC 130581921 573606683 /nfs/dbraw/zinc/60/66/83/573606683.db2.gz VQNIRMFTUANDTG-JTQLQIEISA-N 0 0 198.310 1.591 10 0 ADAERN CC(C)(C)O[C@@H]1CCN(O)C1 214658443 573606726 /nfs/dbraw/zinc/60/67/26/573606726.db2.gz XCCJPVWLITUZMU-SSDOTTSWSA-N 0 0 159.229 1.265 10 0 ADAERN OCCc1cc(Cl)c(Cl)nn1 259524883 573606737 /nfs/dbraw/zinc/60/67/37/573606737.db2.gz TXQSGLGEAZFGKZ-UHFFFAOYSA-N 0 0 193.033 1.318 10 0 ADAERN CCn1ccnc1C[C@@H]1CCC[C@@H]1O 86753253 573606738 /nfs/dbraw/zinc/60/67/38/573606738.db2.gz BZPASQYQSISLDM-UWVGGRQHSA-N 0 0 194.278 1.607 10 0 ADAERN CN(C)c1sc(C=O)cc1N 75548254 573606750 /nfs/dbraw/zinc/60/67/50/573606750.db2.gz JKGZFASXAYFWQI-UHFFFAOYSA-N 0 0 170.237 1.209 10 0 ADAERN NC1=NO[C@H](c2cccc(F)c2)C1 257837095 573606765 /nfs/dbraw/zinc/60/67/65/573606765.db2.gz LHIVQHNYMFGDEE-QMMMGPOBSA-N 0 0 180.182 1.559 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)c1ccco1 86756644 573606766 /nfs/dbraw/zinc/60/67/66/573606766.db2.gz BQVIJBKQVPVHNE-JGVFFNPUSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@@H](O)c1nc([C@H]2CCCOC2)no1 83722757 573606790 /nfs/dbraw/zinc/60/67/90/573606790.db2.gz UJKRYBGLGLVZBA-RQJHMYQMSA-N 0 0 198.222 1.017 10 0 ADAERN CC(=O)[C@H]1C(=O)NC(C)(C)C[C@H]1C 238420067 573506565 /nfs/dbraw/zinc/50/65/65/573506565.db2.gz FDSVAYSJKMJGNZ-SVRRBLITSA-N 0 0 183.251 1.126 10 0 ADAERN c1nocc1OC[C@H]1CCCS1 258713625 573506583 /nfs/dbraw/zinc/50/65/83/573506583.db2.gz VBUVTROYEROKJO-MRVPVSSYSA-N 0 0 185.248 1.949 10 0 ADAERN CO[C@H](C)c1ncc(C(C)=O)c(C)n1 86591118 573506595 /nfs/dbraw/zinc/50/65/95/573506595.db2.gz CDMJLQABWBBFHI-MRVPVSSYSA-N 0 0 194.234 1.695 10 0 ADAERN C[C@H](O)Cc1cc(O)c(F)cc1O 258050301 573506600 /nfs/dbraw/zinc/50/66/00/573506600.db2.gz KMXVMVWGXZBWCC-YFKPBYRVSA-N 0 0 186.182 1.160 10 0 ADAERN COC(=O)c1coc2c1NCCC2 238419548 573506620 /nfs/dbraw/zinc/50/66/20/573506620.db2.gz IFTYWCDMBRECRO-UHFFFAOYSA-N 0 0 181.191 1.424 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1[C@@]1(C)C[C@H]1C 714704394 573506642 /nfs/dbraw/zinc/50/66/42/573506642.db2.gz CMDVOWUMUZBINP-ABCHNEDTSA-N 0 0 181.279 1.803 10 0 ADAERN O=C1CCCc2conc21 107323935 573506660 /nfs/dbraw/zinc/50/66/60/573506660.db2.gz QGFJAZGGFCITJC-UHFFFAOYSA-N 0 0 137.138 1.194 10 0 ADAERN O=C([O-])C1(CC[NH+]2CCCC2)CCC1 214905759 573506690 /nfs/dbraw/zinc/50/66/90/573506690.db2.gz KQLJONWOYQOVAI-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN Cc1cc([C@H](C)CO)c(F)cc1O 258047870 573506697 /nfs/dbraw/zinc/50/66/97/573506697.db2.gz KLDNRYSEACIQIW-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN C[C@@]12CC=CC[C@@H]1C(=O)CCC2=O 238418947 573506717 /nfs/dbraw/zinc/50/67/17/573506717.db2.gz FJEOGAMKLHVBKL-LDYMZIIASA-N 0 0 178.231 1.891 10 0 ADAERN CCC[C@@H]1[C@H](C(=O)[O-])C2CC[NH+]1CC2 258050515 573506723 /nfs/dbraw/zinc/50/67/23/573506723.db2.gz JZCOMPBVQZJXCX-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1[nH]c(C)c2cnncc12 107324576 573506726 /nfs/dbraw/zinc/50/67/26/573506726.db2.gz VXMULGTZFMKMJG-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN c1nocc1OC[C@@H]1CCCS1 258713632 573506729 /nfs/dbraw/zinc/50/67/29/573506729.db2.gz VBUVTROYEROKJO-QMMMGPOBSA-N 0 0 185.248 1.949 10 0 ADAERN COc1cccc([C@H](C)CO)c1F 258050442 573506732 /nfs/dbraw/zinc/50/67/32/573506732.db2.gz KOTSWRNPCXISNF-SSDOTTSWSA-N 0 0 184.210 1.930 10 0 ADAERN Cn1ccc(-c2ccc(N)cc2)c1N 258049981 573506743 /nfs/dbraw/zinc/50/67/43/573506743.db2.gz FQINWOXXSWDLPO-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN C[C@@H]([NH3+])c1cc(CC(=O)[O-])ccc1F 238419577 573506787 /nfs/dbraw/zinc/50/67/87/573506787.db2.gz PVKCKVKXWGSNCY-ZCFIWIBFSA-N 0 0 197.209 1.473 10 0 ADAERN Cn1ccc(C[C@@H]2CC[C@H](O)C2)n1 124523475 573506812 /nfs/dbraw/zinc/50/68/12/573506812.db2.gz QRUVYMASZUSPBD-WPRPVWTQSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@@H](O)Cc1coc([C@H]2CCOC2)n1 258048801 573506814 /nfs/dbraw/zinc/50/68/14/573506814.db2.gz KSYZDTOEYVQYML-SFYZADRCSA-N 0 0 197.234 1.102 10 0 ADAERN Cc1ccc(O)c2c1NCC2 107324788 573506821 /nfs/dbraw/zinc/50/68/21/573506821.db2.gz JEYBBBWNIABSGK-UHFFFAOYSA-N 0 0 149.193 1.669 10 0 ADAERN Cn1ccc(C[C@H]2CC[C@H](O)C2)n1 124523669 573506830 /nfs/dbraw/zinc/50/68/30/573506830.db2.gz QRUVYMASZUSPBD-SCZZXKLOSA-N 0 0 180.251 1.124 10 0 ADAERN CSc1[nH]nc(N)c1Cl 107322994 573506831 /nfs/dbraw/zinc/50/68/31/573506831.db2.gz TWAQGDQAMDVMQB-UHFFFAOYSA-N 0 0 163.633 1.367 10 0 ADAERN C[C@@H]1O[C@@]1(C)[C@@H]1CCCCC1=O 238420031 573506848 /nfs/dbraw/zinc/50/68/48/573506848.db2.gz FBMYLWWGFIEVJR-QXFUBDJGSA-N 0 0 168.236 1.923 10 0 ADAERN CNc1cc(SC)no1 107322779 573506867 /nfs/dbraw/zinc/50/68/67/573506867.db2.gz IEHQCCNEVZSWMP-UHFFFAOYSA-N 0 0 144.199 1.438 10 0 ADAERN Cc1cc(CON)cc(O)c1C 258050460 573506872 /nfs/dbraw/zinc/50/68/72/573506872.db2.gz RFYSTUIVZKNCOR-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN Cc1cc(C[C@@H](C)O)cc(O)c1F 258050359 573506879 /nfs/dbraw/zinc/50/68/79/573506879.db2.gz KNROXPUUCLYESG-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN CC(=O)CC1O[C@H](C)C[C@@H](C)O1 238419712 573506901 /nfs/dbraw/zinc/50/69/01/573506901.db2.gz COQYQHJRVVEKCB-HTQZYQBOSA-N 0 0 172.224 1.506 10 0 ADAERN C[C@H]1Cc2ccc(CON)cc2C1 258048436 573506916 /nfs/dbraw/zinc/50/69/16/573506916.db2.gz RASBEAQIFUUBDH-QMMMGPOBSA-N 0 0 177.247 1.812 10 0 ADAERN CCOC(=O)CN[C@@H](C)C(F)(F)F 308399999 573506919 /nfs/dbraw/zinc/50/69/19/573506919.db2.gz GMRLEGSKZBOXAW-YFKPBYRVSA-N 0 0 199.172 1.090 10 0 ADAERN C=C/C=C(\Br)[C@H](C)O 238418976 573506923 /nfs/dbraw/zinc/50/69/23/573506923.db2.gz NHBRMYOSTIMCQR-YIWIKUPCSA-N 0 0 177.041 1.832 10 0 ADAERN CCC[NH2+]C[C@H](CC)C(=O)[O-] 258711489 573506926 /nfs/dbraw/zinc/50/69/26/573506926.db2.gz SNKUUCFQROECOF-ZETCQYMHSA-N 0 0 159.229 1.097 10 0 ADAERN Cn1ccc(C[C@@H]2CC[C@@H](O)C2)n1 124523837 573506942 /nfs/dbraw/zinc/50/69/42/573506942.db2.gz QRUVYMASZUSPBD-WCBMZHEXSA-N 0 0 180.251 1.124 10 0 ADAERN Oc1cccc(O[C@@H]2CC[C@@H](O)C2)c1 259478869 573506954 /nfs/dbraw/zinc/50/69/54/573506954.db2.gz HSODNORAYRSSMT-MWLCHTKSSA-N 0 0 194.230 1.684 10 0 ADAERN CNc1cc(SC)[nH]n1 107322789 573506959 /nfs/dbraw/zinc/50/69/59/573506959.db2.gz HAWIGFOKDNURQR-UHFFFAOYSA-N 0 0 143.215 1.173 10 0 ADAERN Cc1ccc(F)c(C2(O)CC2)c1O 258050407 573506963 /nfs/dbraw/zinc/50/69/63/573506963.db2.gz KOHDCLUENCFPJB-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN COCC[C@H]1CCN(CC(F)F)C1 308400378 573506970 /nfs/dbraw/zinc/50/69/70/573506970.db2.gz GTVIXQYBVNESLL-MRVPVSSYSA-N 0 0 193.237 1.610 10 0 ADAERN COc1ncc(O)cc1C(F)F 238419885 573506984 /nfs/dbraw/zinc/50/69/84/573506984.db2.gz UWAWZMLPFGIXRR-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN C[C@H]1C[N@@H+]([C@@H]2CCCC(=O)C2)CCO1 86599880 573508428 /nfs/dbraw/zinc/50/84/28/573508428.db2.gz CILJDBIDFSDBNK-VHSXEESVSA-N 0 0 197.278 1.219 10 0 ADAERN CCN1CC(=O)N(C)c2ccccc21 259481581 573508432 /nfs/dbraw/zinc/50/84/32/573508432.db2.gz ZAPSVKORNTXLNT-UHFFFAOYSA-N 0 0 190.246 1.489 10 0 ADAERN CC(C)N1C[C@@H](c2ccc[nH]2)NC1=O 259483078 573508445 /nfs/dbraw/zinc/50/84/45/573508445.db2.gz OTSATGFDPDHTNI-VIFPVBQESA-N 0 0 193.250 1.489 10 0 ADAERN COC[C@@H](O)c1csc(C)c1 83450380 573508516 /nfs/dbraw/zinc/50/85/16/573508516.db2.gz WVJBELLMKXFEDV-MRVPVSSYSA-N 0 0 172.249 1.736 10 0 ADAERN COC(=O)C(C)(C)Nc1cccnc1 258711347 573508524 /nfs/dbraw/zinc/50/85/24/573508524.db2.gz FMNGVALZLSSXAC-UHFFFAOYSA-N 0 0 194.234 1.445 10 0 ADAERN CO[C@H](C)c1nc(N)nc(C2CC2)n1 86591913 573508537 /nfs/dbraw/zinc/50/85/37/573508537.db2.gz MFONLZZMOJPRPK-RXMQYKEDSA-N 0 0 194.238 1.039 10 0 ADAERN C/C=C/[C@@H](C)[C@@H](C)C(N)=O 211871368 573508538 /nfs/dbraw/zinc/50/85/38/573508538.db2.gz UPQRNZUYMQQXES-XIMOZBJHSA-N 0 0 141.214 1.320 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@@H]1CC1CCC1 214906250 573508544 /nfs/dbraw/zinc/50/85/44/573508544.db2.gz OMPLEKXYQCDJLE-NXEZZACHSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@H]1C[C@]2(CCCC2=O)O[C@@H]1C 224219707 573508551 /nfs/dbraw/zinc/50/85/51/573508551.db2.gz XQWOUDSNHWAXIY-XKSSXDPKSA-N 0 0 168.236 1.923 10 0 ADAERN Cc1c(-c2cccs2)c1=O 258716113 573508552 /nfs/dbraw/zinc/50/85/52/573508552.db2.gz IFMOGPXRWVPPEF-UHFFFAOYSA-N 0 0 150.202 1.959 10 0 ADAERN COCCCC(=N)OC 83440479 573508584 /nfs/dbraw/zinc/50/85/84/573508584.db2.gz HMHALFSVUBWWHC-UHFFFAOYSA-N 0 0 131.175 1.037 10 0 ADAERN Cc1cc2c(N)cccn2n1 107324587 573508586 /nfs/dbraw/zinc/50/85/86/573508586.db2.gz IWFQSXVMWBFFHK-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN CC(=O)[C@@H](C)[C@]1(C)CCCC1=O 238419337 573507878 /nfs/dbraw/zinc/50/78/78/573507878.db2.gz DCPRYRMGTAFKMR-XCBNKYQSSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)c1cc(O)cc(CNO)c1 258050320 573507881 /nfs/dbraw/zinc/50/78/81/573507881.db2.gz REDBYRAYEAXEPG-UHFFFAOYSA-N 0 0 181.235 1.994 10 0 ADAERN COCc1cccc(CCON)c1F 258049686 573507892 /nfs/dbraw/zinc/50/78/92/573507892.db2.gz GQYUANAYUIZPOZ-UHFFFAOYSA-N 0 0 199.225 1.405 10 0 ADAERN CO[C@H](C)c1nc(N)nc(C(C)C)n1 86591908 573507897 /nfs/dbraw/zinc/50/78/97/573507897.db2.gz MLUYAEQEEKGGRE-ZCFIWIBFSA-N 0 0 196.254 1.285 10 0 ADAERN C[C@@]12CC=CC[C@@H](CC1=O)C2=O 238418894 573507913 /nfs/dbraw/zinc/50/79/13/573507913.db2.gz PDKALKMYRDUUOK-OIBJUYFYSA-N 0 0 164.204 1.501 10 0 ADAERN CCC[C@H](O)CCCc1ccn(C)n1 124525195 573507927 /nfs/dbraw/zinc/50/79/27/573507927.db2.gz ZDMRQPVMSSHTMU-NSHDSACASA-N 0 0 196.294 1.904 10 0 ADAERN CC[C@](C)(CC1COC1)C(=O)OC 258715843 573507942 /nfs/dbraw/zinc/50/79/42/573507942.db2.gz ZGFQAFOLNHXYRO-SNVBAGLBSA-N 0 0 186.251 1.612 10 0 ADAERN O=C(OCC1CC1)N1CC=CCC1 308396042 573507950 /nfs/dbraw/zinc/50/79/50/573507950.db2.gz DKTXSEHZCADWCX-UHFFFAOYSA-N 0 0 181.235 1.795 10 0 ADAERN O=C(/C=C\C1CC1)NOCC(F)F 308399996 573507957 /nfs/dbraw/zinc/50/79/57/573507957.db2.gz HRCDBIOQBJGLLH-ARJAWSKDSA-N 0 0 191.177 1.266 10 0 ADAERN NC(=O)Cn1ccc2cc(F)ccc21 75234015 573507964 /nfs/dbraw/zinc/50/79/64/573507964.db2.gz DFMKXWHIGAURBR-UHFFFAOYSA-N 0 0 192.193 1.266 10 0 ADAERN CCNC(=O)C=C(C)C 75244017 573507980 /nfs/dbraw/zinc/50/79/80/573507980.db2.gz GPXGESPSZCTKLA-UHFFFAOYSA-N 0 0 127.187 1.089 10 0 ADAERN CN(CCC1CCCC1)C(=O)CCO 258715355 573507998 /nfs/dbraw/zinc/50/79/98/573507998.db2.gz CZDYYKBXPAKGKY-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CO[C@H](C)c1ncc(CO)s1 86592004 573508002 /nfs/dbraw/zinc/50/80/02/573508002.db2.gz WMLUTFYJFCKJJX-RXMQYKEDSA-N 0 0 173.237 1.343 10 0 ADAERN C[C@H]1CO[C@@](C)(c2ccco2)N1 258718222 573508032 /nfs/dbraw/zinc/50/80/32/573508032.db2.gz VEAAQZMPBAZRHO-CBAPKCEASA-N 0 0 167.208 1.461 10 0 ADAERN C[C@@H](O)c1coc(C[C@H]2CCOC2)n1 258049007 573508040 /nfs/dbraw/zinc/50/80/40/573508040.db2.gz KVNJFIKKHLJDDE-HTQZYQBOSA-N 0 0 197.234 1.307 10 0 ADAERN C[C@H](O)C1=NC(C)(C)C[C@@H](C)O1 238419951 573508043 /nfs/dbraw/zinc/50/80/43/573508043.db2.gz WEQNCRXUGNONBQ-RQJHMYQMSA-N 0 0 171.240 1.353 10 0 ADAERN C[C@@H](O)Cc1coc([C@@H]2CCOC2)n1 258048797 573508047 /nfs/dbraw/zinc/50/80/47/573508047.db2.gz KSYZDTOEYVQYML-HTQZYQBOSA-N 0 0 197.234 1.102 10 0 ADAERN CC[C@](C)(CO)CC1COC1 258718142 573508059 /nfs/dbraw/zinc/50/80/59/573508059.db2.gz ZIRGBMDRTXEZKT-VIFPVBQESA-N 0 0 158.241 1.432 10 0 ADAERN C[C@@H]1O[C@@](C)(O)c2ccncc21 238419683 573508063 /nfs/dbraw/zinc/50/80/63/573508063.db2.gz FGHGTBSLHCGNSL-IMTBSYHQSA-N 0 0 165.192 1.338 10 0 ADAERN O=C(NCCCCF)N1CCCO1 308399570 573508098 /nfs/dbraw/zinc/50/80/98/573508098.db2.gz HMFATPNTEQMKRX-UHFFFAOYSA-N 0 0 190.218 1.083 10 0 ADAERN CCC[C@@H]1[C@@H](C(=O)[O-])C2CC[NH+]1CC2 258050526 573508101 /nfs/dbraw/zinc/50/81/01/573508101.db2.gz JZCOMPBVQZJXCX-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN COCC[C@@H]1CCN(CC(F)F)C1 308400381 573508105 /nfs/dbraw/zinc/50/81/05/573508105.db2.gz GTVIXQYBVNESLL-QMMMGPOBSA-N 0 0 193.237 1.610 10 0 ADAERN C[C@@H]1CCC[C@@]2(OCCC2=O)O1 238418978 573508112 /nfs/dbraw/zinc/50/81/12/573508112.db2.gz FMDZBNGQBTYLJQ-VXNVDRBHSA-N 0 0 170.208 1.261 10 0 ADAERN CC(C)=CC(=O)NC1CC1 75244038 573508128 /nfs/dbraw/zinc/50/81/28/573508128.db2.gz BMQONLVMRWEXMS-UHFFFAOYSA-N 0 0 139.198 1.231 10 0 ADAERN Nc1nc(=S)[nH]cc1Cl 107323019 573508197 /nfs/dbraw/zinc/50/81/97/573508197.db2.gz MDOXPSVXJPEUSJ-UHFFFAOYSA-N 0 0 161.617 1.001 10 0 ADAERN CSc1ccc(OC(C)=O)c(N)c1 238419884 573508216 /nfs/dbraw/zinc/50/82/16/573508216.db2.gz CRYZHBHBNSLREH-UHFFFAOYSA-N 0 0 197.259 1.916 10 0 ADAERN C[C@@H]1CC(C)(C)CC(=O)[C@H]1CO 238418988 573508220 /nfs/dbraw/zinc/50/82/20/573508220.db2.gz VFMLFLGRVHTIBF-SFYZADRCSA-N 0 0 170.252 1.620 10 0 ADAERN C/C=C\CNc1cccc(C(N)=O)c1 308400225 573508254 /nfs/dbraw/zinc/50/82/54/573508254.db2.gz JNJVSPDOEFCOAO-IHWYPQMZSA-N 0 0 190.246 1.774 10 0 ADAERN CSc1noc(N)c1Cl 107322981 573508262 /nfs/dbraw/zinc/50/82/62/573508262.db2.gz GKLAEXIMOVCKGV-UHFFFAOYSA-N 0 0 164.617 1.632 10 0 ADAERN CC(C)[C@H]1C2=NOC(=O)C2C[N@H+]1C 107229476 573508280 /nfs/dbraw/zinc/50/82/80/573508280.db2.gz WPTDFMYLXPHVAX-QMMMGPOBSA-N 0 0 182.223 1.523 10 0 ADAERN O=Cc1nccn1C1CCC1 107325010 573508297 /nfs/dbraw/zinc/50/82/97/573508297.db2.gz UYSDVOUODNKTRB-UHFFFAOYSA-N 0 0 150.181 1.421 10 0 ADAERN CCO[C@@H](C)CNC(=O)c1ccco1 126336609 573508340 /nfs/dbraw/zinc/50/83/40/573508340.db2.gz WITJTZCMLMMJSC-QMMMGPOBSA-N 0 0 197.234 1.434 10 0 ADAERN Cc1cc2ccc(N)cn2n1 107324580 573508348 /nfs/dbraw/zinc/50/83/48/573508348.db2.gz SXKNGSADHITMQR-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN CO[C@@H](C)c1ncc([C@@H](C)O)c(C)n1 86591241 573508368 /nfs/dbraw/zinc/50/83/68/573508368.db2.gz IHFNZPLCAPNWIM-SFYZADRCSA-N 0 0 196.250 1.546 10 0 ADAERN CC/C=C/COC(=O)COCCC 308396212 573508388 /nfs/dbraw/zinc/50/83/88/573508388.db2.gz DJYBYWLVBJEMRS-AATRIKPKSA-N 0 0 186.251 1.922 10 0 ADAERN CC(C)[C@@H](CO)CC1(C)COC1 258710616 573508389 /nfs/dbraw/zinc/50/83/89/573508389.db2.gz YRQRWPQQWVNOCI-SECBINFHSA-N 0 0 172.268 1.678 10 0 ADAERN Cc1nc(C)n([C@H]2CCCC(=O)C2)n1 86601675 573514757 /nfs/dbraw/zinc/51/47/57/573514757.db2.gz PCLGHSZUHCYYAM-VIFPVBQESA-N 0 0 193.250 1.579 10 0 ADAERN C[C@@H]1CCC[C@H]2NC(=O)O[C@H]12 238422790 573514781 /nfs/dbraw/zinc/51/47/81/573514781.db2.gz GYNKPTZTHDMIGI-FSDSQADBSA-N 0 0 155.197 1.283 10 0 ADAERN O=C1CCC[C@H](OC[C@H]2CCOC2)C1 86603740 573514805 /nfs/dbraw/zinc/51/48/05/573514805.db2.gz VBCPXHNVBKUGNP-ONGXEEELSA-N 0 0 198.262 1.551 10 0 ADAERN Cc1cnn([C@@H]2CCC[C@H](O)C2)c1 86602971 573514817 /nfs/dbraw/zinc/51/48/17/573514817.db2.gz PKBPDKSMUGSIMA-ZJUUUORDSA-N 0 0 180.251 1.668 10 0 ADAERN CC(C)(O)CNc1cc(F)ccc1N 83461504 573514832 /nfs/dbraw/zinc/51/48/32/573514832.db2.gz YUYDPOUGRSZRPS-UHFFFAOYSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@@H]1O[C@H]1C(=O)Nc1ccccc1O 238422929 573514880 /nfs/dbraw/zinc/51/48/80/573514880.db2.gz DKRNNYZXQFNOMG-IMTBSYHQSA-N 0 0 193.202 1.118 10 0 ADAERN CC[C@](C)(O)CNc1ccc(N)nc1 83461692 573514096 /nfs/dbraw/zinc/51/40/96/573514096.db2.gz ZJZZUMZGYSRRLN-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN O[C@H]1CCC[C@H](OCC(F)(F)F)C1 86603302 573514104 /nfs/dbraw/zinc/51/41/04/573514104.db2.gz QXOXRCDCZDTJFJ-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN C[C@H](O)[C@H](F)C(C)(C)C 257823733 573514152 /nfs/dbraw/zinc/51/41/52/573514152.db2.gz FWJNIANJCXVZOA-WDSKDSINSA-N 0 0 134.194 1.751 10 0 ADAERN C[C@@H](O)/C(F)=C/F 238422199 573514166 /nfs/dbraw/zinc/51/41/66/573514166.db2.gz JYPKLJGXCXNMOS-WNZAFCFYSA-N 0 0 108.087 1.148 10 0 ADAERN CCC[C@@H](O)CC[C@@H](C)CCO 238255401 573514192 /nfs/dbraw/zinc/51/41/92/573514192.db2.gz WLZILGNUYMRSFL-NXEZZACHSA-N 0 0 174.284 1.946 10 0 ADAERN Cc1cc(C)n([C@H]2CCC[C@@H](O)C2)n1 86602870 573514197 /nfs/dbraw/zinc/51/41/97/573514197.db2.gz AWPIIONHJHMUIE-WDEREUQCSA-N 0 0 194.278 1.976 10 0 ADAERN CN(CCC1CCC1)C(=O)CCCO 258718883 573514200 /nfs/dbraw/zinc/51/42/00/573514200.db2.gz NCCGNDWPPOSNMR-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN Cc1nc(C2CC2)oc1C(=O)CN 257824017 573514202 /nfs/dbraw/zinc/51/42/02/573514202.db2.gz GPERGFRVKUDPCD-UHFFFAOYSA-N 0 0 180.207 1.002 10 0 ADAERN Cc1nc(C)n([C@H]2CCC[C@H](O)C2)n1 86603009 573514218 /nfs/dbraw/zinc/51/42/18/573514218.db2.gz QVPJWNIJTLKYEN-UWVGGRQHSA-N 0 0 195.266 1.371 10 0 ADAERN Cc1cnn([C@H]2CCC[C@@H](O)C2)c1 86602977 573514224 /nfs/dbraw/zinc/51/42/24/573514224.db2.gz PKBPDKSMUGSIMA-VHSXEESVSA-N 0 0 180.251 1.668 10 0 ADAERN O=C1Nc2ccccc2C[C@@H]1CCO 224222658 573514280 /nfs/dbraw/zinc/51/42/80/573514280.db2.gz QNQXSMLXUODFGV-VIFPVBQESA-N 0 0 191.230 1.180 10 0 ADAERN C[C@H](N[C@H](C)c1ncon1)C1CCC1 308602447 573514306 /nfs/dbraw/zinc/51/43/06/573514306.db2.gz BARCJHPXAKELBY-JGVFFNPUSA-N 0 0 195.266 1.909 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@H](F)C1CCCCC1 257821861 573514313 /nfs/dbraw/zinc/51/43/13/573514313.db2.gz GBBSXOGXVFISQZ-HTQZYQBOSA-N 0 0 189.230 1.317 10 0 ADAERN CCO[C@H]1C[C@@H]1COC(=O)C(C)C 308396939 573514336 /nfs/dbraw/zinc/51/43/36/573514336.db2.gz DWDFBHJILSRBHS-BDAKNGLRSA-N 0 0 186.251 1.611 10 0 ADAERN CCOC(=O)c1csc2nccn12 75268424 573514342 /nfs/dbraw/zinc/51/43/42/573514342.db2.gz BFXQYNVURIEXQQ-UHFFFAOYSA-N 0 0 196.231 1.573 10 0 ADAERN CCCOC(=O)c1c(C)ccn1C 308397172 573514359 /nfs/dbraw/zinc/51/43/59/573514359.db2.gz DZUNIOSLZWRPCK-UHFFFAOYSA-N 0 0 181.235 1.900 10 0 ADAERN C[C@@]12CCC(=O)[C@H]1CC(=O)C2 238423385 573514361 /nfs/dbraw/zinc/51/43/61/573514361.db2.gz KCFHJBHUMDTGKN-APPZFPTMSA-N 0 0 152.193 1.335 10 0 ADAERN OCCCc1nc([C@H]2CCCO2)co1 258050683 573514371 /nfs/dbraw/zinc/51/43/71/573514371.db2.gz KAXZGMRPTFEQOO-SECBINFHSA-N 0 0 197.234 1.451 10 0 ADAERN CO[C@H]1C[C@@H](NC(=O)CC2CC2)C1 308396544 573514376 /nfs/dbraw/zinc/51/43/76/573514376.db2.gz DNVVGGIWFKUDIJ-DTORHVGOSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1ccccc1NC(=O)C=O 258725581 573514403 /nfs/dbraw/zinc/51/44/03/573514403.db2.gz MCELDTVUEZOQDH-UHFFFAOYSA-N 0 0 163.176 1.132 10 0 ADAERN O[C@@H]1CCC[C@H](OCC2CC2)C1 86603603 573514446 /nfs/dbraw/zinc/51/44/46/573514446.db2.gz MWQUZVODAONMBN-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN C/C=C/COC(=O)CO[C@H](C)CC 308396946 573514447 /nfs/dbraw/zinc/51/44/47/573514447.db2.gz DWGZNDXMOZEMQD-OTQAPUNGSA-N 0 0 186.251 1.921 10 0 ADAERN CC(C)C[N@@H+]1CC2CC(C2)[C@H]1C(=O)[O-] 257823744 573514455 /nfs/dbraw/zinc/51/44/55/573514455.db2.gz GQKQJZFMJTUKEH-RTBKNWGFSA-N 0 0 197.278 1.437 10 0 ADAERN COC(=O)c1ncc(C2CC2)n1C 238422992 573514471 /nfs/dbraw/zinc/51/44/71/573514471.db2.gz HUJCJSQZELQXCU-UHFFFAOYSA-N 0 0 180.207 1.084 10 0 ADAERN O[C@@H]1CCc2nc(C3CCC3)cn2C1 258727956 573514480 /nfs/dbraw/zinc/51/44/80/573514480.db2.gz YZUFCAJGGKGFRO-SECBINFHSA-N 0 0 192.262 1.458 10 0 ADAERN CC[C@@H]1OC(=O)[C@@H](C)C(=O)[C@H]1C 198226317 573514483 /nfs/dbraw/zinc/51/44/83/573514483.db2.gz WENGDWLJTQGDNF-ACZMJKKPSA-N 0 0 170.208 1.163 10 0 ADAERN CNc1nc(C)c(C=O)s1 107326677 573514487 /nfs/dbraw/zinc/51/44/87/573514487.db2.gz YESIUDJLIUKUNP-UHFFFAOYSA-N 0 0 156.210 1.306 10 0 ADAERN C[C@]12CC(=O)[C@]1(C)CCC2=O 238423120 573514490 /nfs/dbraw/zinc/51/44/90/573514490.db2.gz QIFUTKNINXAGQM-DTWKUNHWSA-N 0 0 152.193 1.335 10 0 ADAERN O=C1CCC[C@H](OC[C@@H]2CCOC2)C1 86603738 573514536 /nfs/dbraw/zinc/51/45/36/573514536.db2.gz VBCPXHNVBKUGNP-KOLCDFICSA-N 0 0 198.262 1.551 10 0 ADAERN CCN(Cc1ccc(O)c(N)c1)OC 388692419 573514538 /nfs/dbraw/zinc/51/45/38/573514538.db2.gz MBNPWDJYLXVMQN-UHFFFAOYSA-N 0 0 196.250 1.358 10 0 ADAERN CC[C@H](F)CN1C[C@@H](F)C[C@H]1CO 308397146 573514556 /nfs/dbraw/zinc/51/45/56/573514556.db2.gz DYAZNTBHMBMXNA-CIUDSAMLSA-N 0 0 193.237 1.139 10 0 ADAERN Cc1nc(N)oc1-c1ccccc1O 257821891 573514575 /nfs/dbraw/zinc/51/45/75/573514575.db2.gz GCDHQOGKKFKPIY-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CC[C@H](F)CN1C[C@@H](F)C[C@@H]1CO 308397148 573514582 /nfs/dbraw/zinc/51/45/82/573514582.db2.gz DYAZNTBHMBMXNA-XHNCKOQMSA-N 0 0 193.237 1.139 10 0 ADAERN C[C@@H]1C[C@@H](CC(N)=O)CC1(C)C 238423387 573514593 /nfs/dbraw/zinc/51/45/93/573514593.db2.gz CKYPCAWOQFDBTN-SFYZADRCSA-N 0 0 169.268 1.934 10 0 ADAERN CC(C)CO[C@@H]1CCC[C@@H](O)C1 86603517 573514602 /nfs/dbraw/zinc/51/46/02/573514602.db2.gz NFNWAXOQEPKNET-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN O=C1CCC[C@H](OCC2CC2)C1 86603369 573514629 /nfs/dbraw/zinc/51/46/29/573514629.db2.gz ALHCHHCGDBLEFB-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN c1nc2c(c(NC3CCC3)n1)CNC2 257821983 573514631 /nfs/dbraw/zinc/51/46/31/573514631.db2.gz GGDKMYCKBPSXAM-UHFFFAOYSA-N 0 0 190.250 1.044 10 0 ADAERN CC(C)Cn1nnc2cnccc21 258724505 573514651 /nfs/dbraw/zinc/51/46/51/573514651.db2.gz YYBMYHBHERTCRB-UHFFFAOYSA-N 0 0 176.223 1.482 10 0 ADAERN Cc1cc(C)n([C@@H]2CCC[C@H](O)C2)n1 86602863 573514654 /nfs/dbraw/zinc/51/46/54/573514654.db2.gz AWPIIONHJHMUIE-MNOVXSKESA-N 0 0 194.278 1.976 10 0 ADAERN C[C@@]12CCC(=O)[C@@H](CC(=O)O1)C2 238422381 573514709 /nfs/dbraw/zinc/51/47/09/573514709.db2.gz GQJDQEZZFHCUTI-RCOVLWMOSA-N 0 0 168.192 1.061 10 0 ADAERN COC1(c2ccccc2C)COC1 258723665 573514722 /nfs/dbraw/zinc/51/47/22/573514722.db2.gz OVCLDNKQYWCMGS-UHFFFAOYSA-N 0 0 178.231 1.867 10 0 ADAERN Cc1cc(NCC(C)(C)O)ccc1N 83461610 573514731 /nfs/dbraw/zinc/51/47/31/573514731.db2.gz JPGYZQJXMFTWHH-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN O=C([O-])[C@H]1C[C@H](C2CCCCC2)[NH2+]1 257827052 573522074 /nfs/dbraw/zinc/52/20/74/573522074.db2.gz HUCIZGPJZOSVQX-RKDXNWHRSA-N 0 0 183.251 1.382 10 0 ADAERN C[C@H](CO)c1ccc(F)c(N)c1 259487425 573522081 /nfs/dbraw/zinc/52/20/81/573522081.db2.gz PPXJUNLGBMCHSQ-ZCFIWIBFSA-N 0 0 169.199 1.504 10 0 ADAERN CCn1cnc([C@@](C)(O)[C@H](C)OC)c1 308613308 573522102 /nfs/dbraw/zinc/52/21/02/573522102.db2.gz ZDYXIXGSBBEANR-WPRPVWTQSA-N 0 0 198.266 1.145 10 0 ADAERN CCOC(=O)N[C@H](C)[C@H]1CCOC1 126350271 573522103 /nfs/dbraw/zinc/52/21/03/573522103.db2.gz SFCUGJNYWBLUSB-SFYZADRCSA-N 0 0 187.239 1.158 10 0 ADAERN O=C1CC[C@H](n2cc(Cl)cn2)C1 86618844 573522136 /nfs/dbraw/zinc/52/21/36/573522136.db2.gz DAFAXGAOPDFCQS-ZETCQYMHSA-N 0 0 184.626 1.831 10 0 ADAERN Oc1cccn2c(C3CC3)cnc12 257823351 573522138 /nfs/dbraw/zinc/52/21/38/573522138.db2.gz GKPVOODLGBVRNQ-UHFFFAOYSA-N 0 0 174.203 1.917 10 0 ADAERN C[C@H]1CCC[C@](O)(Cn2cnnc2)C1 83470717 573522141 /nfs/dbraw/zinc/52/21/41/573522141.db2.gz GIKDVLGHBNPJIQ-VHSXEESVSA-N 0 0 195.266 1.219 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2cc(F)ccc2N1 258057055 573522150 /nfs/dbraw/zinc/52/21/50/573522150.db2.gz LMCHOVKUTCVGIV-OIBJUYFYSA-N 0 0 195.237 1.933 10 0 ADAERN CC(=O)[C@H](C)[C@H]1CC[C@@H]1F 238426089 573522151 /nfs/dbraw/zinc/52/21/51/573522151.db2.gz PAHLKVBZYMLILO-ARDNSNSESA-N 0 0 144.189 1.960 10 0 ADAERN COc1cc(O)ccc1[C@@H](C)CO 257823658 573522158 /nfs/dbraw/zinc/52/21/58/573522158.db2.gz FTKBKZGKSOGPMU-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN O=C1CC[C@@H](OC[C@@H]2CCCCO2)C1 86619327 573522160 /nfs/dbraw/zinc/52/21/60/573522160.db2.gz ONROFYHVWABJBX-MNOVXSKESA-N 0 0 198.262 1.694 10 0 ADAERN C[C@@H]1Nc2ccccc2-c2nnnn21 238425955 573522176 /nfs/dbraw/zinc/52/21/76/573522176.db2.gz OAPMYQDSBJQWAC-ZCFIWIBFSA-N 0 0 187.206 1.284 10 0 ADAERN CCOC(=O)[C@@H](C)Cc1cnoc1 259614023 573522205 /nfs/dbraw/zinc/52/22/05/573522205.db2.gz FDFBPLCZOILYIX-ZETCQYMHSA-N 0 0 183.207 1.416 10 0 ADAERN O=Cc1ncc2c(F)cccn12 107328046 573521437 /nfs/dbraw/zinc/52/14/37/573521437.db2.gz YASBPQSWSHZVGN-UHFFFAOYSA-N 0 0 164.139 1.286 10 0 ADAERN CCOC(=O)N[C@H](C)[C@@H]1CCOC1 126349800 573521458 /nfs/dbraw/zinc/52/14/58/573521458.db2.gz SFCUGJNYWBLUSB-HTQZYQBOSA-N 0 0 187.239 1.158 10 0 ADAERN CC(C)CC(C)(C)ON 259486615 573521467 /nfs/dbraw/zinc/52/14/67/573521467.db2.gz OZKKTCBLDIFRKB-UHFFFAOYSA-N 0 0 131.219 1.701 10 0 ADAERN CC(=O)[C@@H]1CCCn2nccc21 107328341 573521494 /nfs/dbraw/zinc/52/14/94/573521494.db2.gz HQJSQDSSGAYXQF-QMMMGPOBSA-N 0 0 164.208 1.350 10 0 ADAERN C[C@@]12CCC(=O)[C@]1(C)CC2=O 238423970 573521500 /nfs/dbraw/zinc/52/15/00/573521500.db2.gz QIFUTKNINXAGQM-IUCAKERBSA-N 0 0 152.193 1.335 10 0 ADAERN C[C@@H](O)C1=CC1(C)C 238424124 573521508 /nfs/dbraw/zinc/52/15/08/573521508.db2.gz AHDXRFVPAKLVCC-RXMQYKEDSA-N 0 0 112.172 1.333 10 0 ADAERN COC[C@@H](CO)Nc1ccc(C)cc1 308612678 573521512 /nfs/dbraw/zinc/52/15/12/573521512.db2.gz YWWBPXFTDAFSNP-LLVKDONJSA-N 0 0 195.262 1.414 10 0 ADAERN O=C([O-])C[C@@H]1CC[N@@H+]2CC[C@@H](C1)C2 257823315 573521526 /nfs/dbraw/zinc/52/15/26/573521526.db2.gz GJKJERYRVDSUES-BDAKNGLRSA-N 0 0 183.251 1.193 10 0 ADAERN C[C@@H](CO)c1ccc(F)c(N)c1 259487424 573521533 /nfs/dbraw/zinc/52/15/33/573521533.db2.gz PPXJUNLGBMCHSQ-LURJTMIESA-N 0 0 169.199 1.504 10 0 ADAERN O=C(OCCO)C1=CC[C@@H]2C=CC[C@@H]12 308614053 573521536 /nfs/dbraw/zinc/52/15/36/573521536.db2.gz ZIPLNOBFYDQTGX-DTWKUNHWSA-N 0 0 194.230 1.044 10 0 ADAERN [NH3+][C@H]1CCc2nc(C3CC3)oc21 107328377 573521540 /nfs/dbraw/zinc/52/15/40/573521540.db2.gz LYFAKFRCPQMMMM-LURJTMIESA-N 0 0 164.208 1.498 10 0 ADAERN C[C@@H](O)[C@H](F)C1CCSCC1 257823362 573521541 /nfs/dbraw/zinc/52/15/41/573521541.db2.gz GLCDIUCUZRZBNY-SVRRBLITSA-N 0 0 178.272 1.849 10 0 ADAERN COc1c(C=O)ccc(Cl)c1O 257823408 573521554 /nfs/dbraw/zinc/52/15/54/573521554.db2.gz GMSPNAHYVOKWPG-UHFFFAOYSA-N 0 0 186.594 1.867 10 0 ADAERN C[C@]1(c2nc(C=O)co2)CCCOC1 258056928 573521560 /nfs/dbraw/zinc/52/15/60/573521560.db2.gz KLCSWGYQZIFQDJ-JTQLQIEISA-N 0 0 195.218 1.555 10 0 ADAERN OC1(CNc2ccncn2)CCCC1 83466745 573521566 /nfs/dbraw/zinc/52/15/66/573521566.db2.gz KQVLCXICRGFYEA-UHFFFAOYSA-N 0 0 193.250 1.194 10 0 ADAERN CC(C)n1cnc2c1CCC2=O 107328394 573521573 /nfs/dbraw/zinc/52/15/73/573521573.db2.gz KLYUUJMJQHOISU-UHFFFAOYSA-N 0 0 164.208 1.593 10 0 ADAERN C[C@@H](O)C1=CCCSC1 238424401 573521586 /nfs/dbraw/zinc/52/15/86/573521586.db2.gz RQGVYSZOOYYKHA-ZCFIWIBFSA-N 0 0 144.239 1.431 10 0 ADAERN O=C1CCc2ncn(C3CC3)c21 107327620 573521640 /nfs/dbraw/zinc/52/16/40/573521640.db2.gz QCUVPPWKYSUFHO-UHFFFAOYSA-N 0 0 162.192 1.347 10 0 ADAERN CC(=O)c1cc2ccccn2n1 107327007 573521647 /nfs/dbraw/zinc/52/16/47/573521647.db2.gz ISKGWGQUFPAOOM-UHFFFAOYSA-N 0 0 160.176 1.537 10 0 ADAERN CC(C)n1cnc2c1C(=O)CC2 107328392 573521654 /nfs/dbraw/zinc/52/16/54/573521654.db2.gz KKGDEZURQIBWQF-UHFFFAOYSA-N 0 0 164.208 1.593 10 0 ADAERN CCOC(=O)N[C@@H](C)[C@H]1CCOC1 126350023 573521674 /nfs/dbraw/zinc/52/16/74/573521674.db2.gz SFCUGJNYWBLUSB-YUMQZZPRSA-N 0 0 187.239 1.158 10 0 ADAERN O=C1CC[C@@H](n2cc(Cl)cn2)C1 86618843 573521720 /nfs/dbraw/zinc/52/17/20/573521720.db2.gz DAFAXGAOPDFCQS-SSDOTTSWSA-N 0 0 184.626 1.831 10 0 ADAERN CC(C)C[C@H]([C@@H]1C[C@@H]1C(=O)[O-])[NH+](C)C 259489449 573521729 /nfs/dbraw/zinc/52/17/29/573521729.db2.gz LBVZWIUKKHAMIB-KXUCPTDWSA-N 0 0 199.294 1.683 10 0 ADAERN O=Cc1cn(C[C@H]2CCCS2)cn1 715860550 573521749 /nfs/dbraw/zinc/52/17/49/573521749.db2.gz FCKGGKJGHOWSSP-SECBINFHSA-N 0 0 196.275 1.591 10 0 ADAERN C[C@@]12CC=C[C@@]1(O)CCC2=O 222697427 573521754 /nfs/dbraw/zinc/52/17/54/573521754.db2.gz OKSFOXZGHFTYLM-DTWKUNHWSA-N 0 0 152.193 1.047 10 0 ADAERN CCC(=O)NC[C@@]1(O)CCC[C@@H](C)C1 83470402 573521762 /nfs/dbraw/zinc/52/17/62/573521762.db2.gz ZGBABFQXXNDBJB-MWLCHTKSSA-N 0 0 199.294 1.454 10 0 ADAERN O=C1CC[C@H](OC[C@@H]2CCCCO2)C1 86619329 573521775 /nfs/dbraw/zinc/52/17/75/573521775.db2.gz ONROFYHVWABJBX-QWRGUYRKSA-N 0 0 198.262 1.694 10 0 ADAERN O=C1CC[C@@H](OC[C@H]2CCCO2)C1 86619303 573521823 /nfs/dbraw/zinc/52/18/23/573521823.db2.gz FRHDZWXARFRFMC-NXEZZACHSA-N 0 0 184.235 1.304 10 0 ADAERN CC(C)c1cnoc1C=O 257826686 573521874 /nfs/dbraw/zinc/52/18/74/573521874.db2.gz HFJXATKPTLITPS-UHFFFAOYSA-N 0 0 139.154 1.611 10 0 ADAERN CC[C@](C)(O)CNc1ccncn1 83466660 573521878 /nfs/dbraw/zinc/52/18/78/573521878.db2.gz GXFHVAVGMZFWPO-VIFPVBQESA-N 0 0 181.239 1.050 10 0 ADAERN COC[C@@H](CO)Nc1cccc(C)c1 308613224 573521883 /nfs/dbraw/zinc/52/18/83/573521883.db2.gz ZAQXLCYQQCBIOP-LLVKDONJSA-N 0 0 195.262 1.414 10 0 ADAERN C=CC(=O)NCC1(O)CCCCCC1 83470897 573521884 /nfs/dbraw/zinc/52/18/84/573521884.db2.gz CPYZBQKPDUEZKP-UHFFFAOYSA-N 0 0 197.278 1.374 10 0 ADAERN CC(C)C[C@H]([C@H]1C[C@@H]1C(=O)[O-])[NH+](C)C 259489451 573521886 /nfs/dbraw/zinc/52/18/86/573521886.db2.gz LBVZWIUKKHAMIB-LPEHRKFASA-N 0 0 199.294 1.683 10 0 ADAERN CSc1nnc(C(C)C)[nH]1 75312880 573521904 /nfs/dbraw/zinc/52/19/04/573521904.db2.gz WYIKHCVQXUKLGC-UHFFFAOYSA-N 0 0 157.242 1.650 10 0 ADAERN C[C@@](F)(CO)c1cccs1 257826714 573521939 /nfs/dbraw/zinc/52/19/39/573521939.db2.gz HHZBRXVPDWAOPB-SSDOTTSWSA-N 0 0 160.213 1.925 10 0 ADAERN Cc1c[nH]c2cc(CON)ccc12 258057217 573521966 /nfs/dbraw/zinc/52/19/66/573521966.db2.gz LNEODMHGAHSQJK-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN CCc1c2c(N)cccc2nn1C 257823396 573521984 /nfs/dbraw/zinc/52/19/84/573521984.db2.gz GMGYTSYGRIGHTG-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN CCC[C@@H](C)Nc1ccn(CCO)n1 308613078 573521995 /nfs/dbraw/zinc/52/19/95/573521995.db2.gz RDZCAPJVEUZJDH-SECBINFHSA-N 0 0 197.282 1.476 10 0 ADAERN COCc1cccc(C=O)c1O 107329367 573522285 /nfs/dbraw/zinc/52/22/85/573522285.db2.gz QUVWJQMJQUMEJH-UHFFFAOYSA-N 0 0 166.176 1.351 10 0 ADAERN Cc1[nH]c(C(N)=O)nc1-c1ccco1 258741292 573522287 /nfs/dbraw/zinc/52/22/87/573522287.db2.gz QHBLIKJEFSDYQT-UHFFFAOYSA-N 0 0 191.190 1.077 10 0 ADAERN CC(=O)[C@@H](c1ccc(C)o1)N(C)C 259485631 573522300 /nfs/dbraw/zinc/52/23/00/573522300.db2.gz YNMMORWBANRXPJ-JTQLQIEISA-N 0 0 181.235 1.780 10 0 ADAERN C[C@@]12CCCC(=O)N[C@@H]1CCCC2=O 238425537 573522313 /nfs/dbraw/zinc/52/23/13/573522313.db2.gz KRVSHFCVPIBODB-LDYMZIIASA-N 0 0 195.262 1.414 10 0 ADAERN COc1c(N)ccc2nsnc12 238425803 573522338 /nfs/dbraw/zinc/52/23/38/573522338.db2.gz FBCATNOUSUYUHN-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN CC(C)Oc1cc(C=O)ncn1 107329487 573522339 /nfs/dbraw/zinc/52/23/39/573522339.db2.gz VCACKQSREDIGBD-UHFFFAOYSA-N 0 0 166.180 1.076 10 0 ADAERN O=C1CC[C@H](n2cccn2)C1 86618808 573522349 /nfs/dbraw/zinc/52/23/49/573522349.db2.gz FPBNCNKYQFPLRA-ZETCQYMHSA-N 0 0 150.181 1.177 10 0 ADAERN C[C@@H]1CCCc2c1noc2N 238426186 573522372 /nfs/dbraw/zinc/52/23/72/573522372.db2.gz JQBKUIBOGUKZNI-RXMQYKEDSA-N 0 0 152.197 1.697 10 0 ADAERN CCn1cnc([C@](C)(O)[C@H](C)OC)c1 308613305 573522374 /nfs/dbraw/zinc/52/23/74/573522374.db2.gz ZDYXIXGSBBEANR-WCBMZHEXSA-N 0 0 198.266 1.145 10 0 ADAERN O=Cc1cn(COC2CCCC2)cn1 308613052 573522382 /nfs/dbraw/zinc/52/23/82/573522382.db2.gz RCMUALXQJFOJFB-UHFFFAOYSA-N 0 0 194.234 1.612 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1C[NH+]1CCCCCC1 258746372 573522387 /nfs/dbraw/zinc/52/23/87/573522387.db2.gz WRMCTONVLDILJL-NXEZZACHSA-N 0 0 197.278 1.583 10 0 ADAERN Cc1nc(C)n([C@@H]2CCC(=O)C2)n1 86618865 573522405 /nfs/dbraw/zinc/52/24/05/573522405.db2.gz MNYUWTDOQSBJRY-MRVPVSSYSA-N 0 0 179.223 1.189 10 0 ADAERN C[NH2+][C@@H](c1ccc[nH]1)C1(C(=O)[O-])CC1 259489591 573522406 /nfs/dbraw/zinc/52/24/06/573522406.db2.gz REVRHZKIALRCJM-QMMMGPOBSA-N 0 0 194.234 1.140 10 0 ADAERN COc1ccc([C@H]2CCNN2)cc1 257827045 573522411 /nfs/dbraw/zinc/52/24/11/573522411.db2.gz HTRBUKDKJSFSMR-SNVBAGLBSA-N 0 0 178.235 1.234 10 0 ADAERN CC[C@](C)(O)CNc1ccc(C)cn1 83466654 573522425 /nfs/dbraw/zinc/52/24/25/573522425.db2.gz XVHHYYSKGHZQKK-NSHDSACASA-N 0 0 194.278 1.963 10 0 ADAERN O=C(Nc1ccc[nH]1)C1(CO)CCC1 258747561 573522441 /nfs/dbraw/zinc/52/24/41/573522441.db2.gz KHOVEDOWSFYKLR-UHFFFAOYSA-N 0 0 194.234 1.116 10 0 ADAERN C[C@@H]1CCCc2[nH]c(=O)ccc21 238425929 573522459 /nfs/dbraw/zinc/52/24/59/573522459.db2.gz LBJLHABOZYVPRY-SSDOTTSWSA-N 0 0 163.220 1.815 10 0 ADAERN COc1cc(O)ccc1[C@H](C)CO 257823656 573522495 /nfs/dbraw/zinc/52/24/95/573522495.db2.gz FTKBKZGKSOGPMU-SSDOTTSWSA-N 0 0 182.219 1.497 10 0 ADAERN C[C@@]12CCCC[C@H]1NC(=O)NC2 238432151 573522516 /nfs/dbraw/zinc/52/25/16/573522516.db2.gz BSBIYALOJBUORS-APPZFPTMSA-N 0 0 168.240 1.248 10 0 ADAERN c1n[nH]cc1OCC1CCSCC1 258746566 573522529 /nfs/dbraw/zinc/52/25/29/573522529.db2.gz WHZLSYNIMWHPKS-UHFFFAOYSA-N 0 0 198.291 1.932 10 0 ADAERN Cc1[nH]c(=O)c(C=O)cc1Cl 257827035 573522558 /nfs/dbraw/zinc/52/25/58/573522558.db2.gz HTAAWHACUPNITN-UHFFFAOYSA-N 0 0 171.583 1.562 10 0 ADAERN CCCc1coc(CCO)n1 259486832 573523049 /nfs/dbraw/zinc/52/30/49/573523049.db2.gz XTTHEIKPPHKMJO-UHFFFAOYSA-N 0 0 155.197 1.162 10 0 ADAERN CC(=O)c1cnc([C@@H]2CCOC2)o1 258057742 573522574 /nfs/dbraw/zinc/52/25/74/573522574.db2.gz LGACHNOVFSQGJL-SSDOTTSWSA-N 0 0 181.191 1.381 10 0 ADAERN CC(C)C[C@H]([C@@H]1C[C@H]1C(=O)[O-])[NH+](C)C 259489454 573522576 /nfs/dbraw/zinc/52/25/76/573522576.db2.gz LBVZWIUKKHAMIB-OPRDCNLKSA-N 0 0 199.294 1.683 10 0 ADAERN O=C1CC[C@@H](OC[C@H]2CCOC2)C1 86619613 573522588 /nfs/dbraw/zinc/52/25/88/573522588.db2.gz HMPHQHDPSBFBAZ-WCBMZHEXSA-N 0 0 184.235 1.161 10 0 ADAERN O=C(S)NCCc1cccs1 258745124 573522599 /nfs/dbraw/zinc/52/25/99/573522599.db2.gz SXAAQYHAGJTCSP-UHFFFAOYSA-N 0 0 187.289 1.930 10 0 ADAERN CN(CC(F)(F)F)[C@H]1CCC(=O)C1 86617909 573522608 /nfs/dbraw/zinc/52/26/08/573522608.db2.gz UHPGRKLOKJELDG-LURJTMIESA-N 0 0 195.184 1.602 10 0 ADAERN CC(C)[C@H](CO)Nc1cc[nH]c1 258744513 573522611 /nfs/dbraw/zinc/52/26/11/573522611.db2.gz FXMUNENBVFZEEB-VIFPVBQESA-N 0 0 168.240 1.444 10 0 ADAERN CC[C@@](C)(O)CNc1ncccc1C 83466631 573522624 /nfs/dbraw/zinc/52/26/24/573522624.db2.gz VNNGVRFLFHRPEN-LLVKDONJSA-N 0 0 194.278 1.963 10 0 ADAERN CCC[C@@H](O)CC[C@H](C)CCO 238255542 573522669 /nfs/dbraw/zinc/52/26/69/573522669.db2.gz WLZILGNUYMRSFL-VHSXEESVSA-N 0 0 174.284 1.946 10 0 ADAERN CN(C)[C@@H](N)c1ccc(F)cc1F 259489467 573522674 /nfs/dbraw/zinc/52/26/74/573522674.db2.gz LCCHMDQPAWYKQX-SECBINFHSA-N 0 0 186.205 1.484 10 0 ADAERN CC(=O)Cc1cn(C(C)C)cn1 107329663 573522696 /nfs/dbraw/zinc/52/26/96/573522696.db2.gz JNPBVIYHHJBIFD-UHFFFAOYSA-N 0 0 166.224 1.596 10 0 ADAERN C[C@@H]1C[C@@H](CO)C(CCO)=CC1(C)C 238425376 573522705 /nfs/dbraw/zinc/52/27/05/573522705.db2.gz PHIRQKWPGSFVHY-KOLCDFICSA-N 0 0 198.306 1.970 10 0 ADAERN CCC1CCC(O)(CNC(C)=O)CC1 83470539 573522706 /nfs/dbraw/zinc/52/27/06/573522706.db2.gz QGLYLATWGVKENN-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CNc1cnc(C(C)C)[nH]c1=O 107330357 573522712 /nfs/dbraw/zinc/52/27/12/573522712.db2.gz OCWYVOGOYWBXEK-UHFFFAOYSA-N 0 0 167.212 1.347 10 0 ADAERN CC(C)c1cc(N)cc(=O)n1C1CC1 257826856 573522770 /nfs/dbraw/zinc/52/27/70/573522770.db2.gz HTDISFYGTPOZGV-UHFFFAOYSA-N 0 0 192.262 1.889 10 0 ADAERN CN(Cc1ccccn1)C(=O)S 258742874 573522771 /nfs/dbraw/zinc/52/27/71/573522771.db2.gz SMDWIDYNFGZWFQ-UHFFFAOYSA-N 0 0 182.248 1.563 10 0 ADAERN Cc1cnn([C@@H]2CCC(=O)C2)c1 86618835 573522774 /nfs/dbraw/zinc/52/27/74/573522774.db2.gz RPYHTTYJPSPCFF-MRVPVSSYSA-N 0 0 164.208 1.486 10 0 ADAERN O=C(OCCO)C1=CC[C@@H]2C=CC[C@H]12 308614057 573522806 /nfs/dbraw/zinc/52/28/06/573522806.db2.gz ZIPLNOBFYDQTGX-IUCAKERBSA-N 0 0 194.230 1.044 10 0 ADAERN CCc1nc(N)oc1C(C)=O 258747548 573522817 /nfs/dbraw/zinc/52/28/17/573522817.db2.gz JVIXQYVRZMOIGH-UHFFFAOYSA-N 0 0 154.169 1.022 10 0 ADAERN CC[NH2+]Cc1ccc(O)cc1C(=O)[O-] 258057323 573522819 /nfs/dbraw/zinc/52/28/19/573522819.db2.gz FZQRGLCNCROWOF-UHFFFAOYSA-N 0 0 195.218 1.200 10 0 ADAERN Cc1cnc(C=O)n1C(C)(C)C 107329811 573522827 /nfs/dbraw/zinc/52/28/27/573522827.db2.gz YCENSKGOAJGEPJ-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN Cc1ccn([C@H]2CCC(=O)C2)n1 86619258 573522833 /nfs/dbraw/zinc/52/28/33/573522833.db2.gz SAWYXUGEWFOLOV-QMMMGPOBSA-N 0 0 164.208 1.486 10 0 ADAERN C[C@@H]1Nc2ccccc2N(C=O)[C@H]1C 238425223 573522843 /nfs/dbraw/zinc/52/28/43/573522843.db2.gz QBFOBFBUYYMDFT-IUCAKERBSA-N 0 0 190.246 1.852 10 0 ADAERN CCOc1ncncc1C(C)=O 107329413 573522845 /nfs/dbraw/zinc/52/28/45/573522845.db2.gz QKSBOLKIUKDCFI-UHFFFAOYSA-N 0 0 166.180 1.078 10 0 ADAERN CSc1cccc(NC(C)=O)c1N 238425332 573522852 /nfs/dbraw/zinc/52/28/52/573522852.db2.gz GCVKSLBMVHSGCR-UHFFFAOYSA-N 0 0 196.275 1.949 10 0 ADAERN C[C@H]1CCC[C@@](O)(Cn2cnnc2)C1 83470720 573522870 /nfs/dbraw/zinc/52/28/70/573522870.db2.gz GIKDVLGHBNPJIQ-UWVGGRQHSA-N 0 0 195.266 1.219 10 0 ADAERN CCn1ncc(N)c1[C@H]1CCCCO1 257826778 573522914 /nfs/dbraw/zinc/52/29/14/573522914.db2.gz HPXORZRUCWZUMU-SECBINFHSA-N 0 0 195.266 1.727 10 0 ADAERN O=C1CC[C@@H](OC[C@@H]2CCOC2)C1 86619611 573522918 /nfs/dbraw/zinc/52/29/18/573522918.db2.gz HMPHQHDPSBFBAZ-PSASIEDQSA-N 0 0 184.235 1.161 10 0 ADAERN CC[C@@](C)(O)CNc1nncs1 83466633 573522967 /nfs/dbraw/zinc/52/29/67/573522967.db2.gz DJQILJXMGWWFKB-SSDOTTSWSA-N 0 0 187.268 1.111 10 0 ADAERN CC[C@@](C)(O)CNc1ccc(C)cn1 83466655 573522975 /nfs/dbraw/zinc/52/29/75/573522975.db2.gz XVHHYYSKGHZQKK-LLVKDONJSA-N 0 0 194.278 1.963 10 0 ADAERN CC(=O)[C@H](C)[C@H]1CCCC1=O 238424931 573522983 /nfs/dbraw/zinc/52/29/83/573522983.db2.gz QYOWWVMXQWDZSZ-POYBYMJQSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H](O)CC(=O)c1ccccc1O 238425602 573524302 /nfs/dbraw/zinc/52/43/02/573524302.db2.gz ZEBNLLKWRQVFFA-ZETCQYMHSA-N 0 0 180.203 1.346 10 0 ADAERN CC(C)Oc1ccccc1NCNN 258746363 573524304 /nfs/dbraw/zinc/52/43/04/573524304.db2.gz WRDUUYWQGSPLOP-UHFFFAOYSA-N 0 0 195.266 1.307 10 0 ADAERN C[C@@]1(c2ccccc2F)NCCO1 258742273 573524309 /nfs/dbraw/zinc/52/43/09/573524309.db2.gz WDLHBYZMJRIZSI-SNVBAGLBSA-N 0 0 181.210 1.618 10 0 ADAERN O=Cc1cnc(N2CCCC2)o1 107329496 573524311 /nfs/dbraw/zinc/52/43/11/573524311.db2.gz ISUYHJCRGNVSDP-UHFFFAOYSA-N 0 0 166.180 1.087 10 0 ADAERN CCCC(=O)[C@@H]1CCCOC1 83720599 573609762 /nfs/dbraw/zinc/60/97/62/573609762.db2.gz WVSNUCGAZMSDHR-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN C[C@]12CC=C[C@@]1(O)CCC2=O 222697470 573523582 /nfs/dbraw/zinc/52/35/82/573523582.db2.gz OKSFOXZGHFTYLM-RKDXNWHRSA-N 0 0 152.193 1.047 10 0 ADAERN CC1(C)CCC(O)(CNC=O)CC1 83470243 573523622 /nfs/dbraw/zinc/52/36/22/573523622.db2.gz SEGPEXKQBPMPJM-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN COc1c(N)cc(N)[nH+]c1C(F)F 238425045 573523638 /nfs/dbraw/zinc/52/36/38/573523638.db2.gz TWVCWAWCUBHCJJ-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN C[NH2+][C@H]1Cc2cccc(C(=O)[O-])c2C1 257823686 573523657 /nfs/dbraw/zinc/52/36/57/573523657.db2.gz GPBMUTFANGHRJT-QMMMGPOBSA-N 0 0 191.230 1.071 10 0 ADAERN CCCC(C)(C)N1C[C@H](CO)CC1=O 126353131 573523658 /nfs/dbraw/zinc/52/36/58/573523658.db2.gz SPOWXMZJIKPCKJ-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN CO[P@H](=O)C[C@H](O)C(C)(C)C 238426088 573523662 /nfs/dbraw/zinc/52/36/62/573523662.db2.gz PGZBYJHKOFLRBL-LURJTMIESA-N 0 0 180.184 1.515 10 0 ADAERN CN(CCC1CCCCC1)C(=O)C=O 258745029 573523669 /nfs/dbraw/zinc/52/36/69/573523669.db2.gz SUXYLYTWVGWVBU-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN COCc1ccc(O)c(C=O)c1 107329374 573523675 /nfs/dbraw/zinc/52/36/75/573523675.db2.gz CIBJEKDGTXOIOY-UHFFFAOYSA-N 0 0 166.176 1.351 10 0 ADAERN CCCc1[nH]c(C(=O)OCC)nc1C 258744164 573523678 /nfs/dbraw/zinc/52/36/78/573523678.db2.gz QOFMVUAVOZVLLA-UHFFFAOYSA-N 0 0 196.250 1.847 10 0 ADAERN CC(=O)[C@H](c1ccc(C)o1)N(C)C 259485633 573523685 /nfs/dbraw/zinc/52/36/85/573523685.db2.gz YNMMORWBANRXPJ-SNVBAGLBSA-N 0 0 181.235 1.780 10 0 ADAERN O=C1CC[C@H](C(=O)C2CCOCC2)C1 86622444 573523686 /nfs/dbraw/zinc/52/36/86/573523686.db2.gz BJJHHTMEDBZZQB-VIFPVBQESA-N 0 0 196.246 1.351 10 0 ADAERN COC(=O)[C@@H](C)[C@H]1CCCOC1 259614001 573523701 /nfs/dbraw/zinc/52/37/01/573523701.db2.gz FCZICCWGYJRKIZ-YUMQZZPRSA-N 0 0 172.224 1.222 10 0 ADAERN Cc1nn([C@@H]2CC[C@H](O)C2)c(C)c1C 86621107 573523744 /nfs/dbraw/zinc/52/37/44/573523744.db2.gz YAULDYKMWPZVGC-MNOVXSKESA-N 0 0 194.278 1.894 10 0 ADAERN N#CNCC1(O)CCCCCC1 83470964 573523757 /nfs/dbraw/zinc/52/37/57/573523757.db2.gz PUJBMHASQRMVAG-UHFFFAOYSA-N 0 0 168.240 1.142 10 0 ADAERN C[C@H]1CN[C@](C)(c2ccco2)O1 258742334 573523796 /nfs/dbraw/zinc/52/37/96/573523796.db2.gz WDLPEJZPLYOHQS-CBAPKCEASA-N 0 0 167.208 1.461 10 0 ADAERN OC1(CNc2cccnn2)CCCC1 83466726 573523811 /nfs/dbraw/zinc/52/38/11/573523811.db2.gz QZGLNHBUTRPFPA-UHFFFAOYSA-N 0 0 193.250 1.194 10 0 ADAERN CO[P@H](=O)C(C)(C)CC(C)=O 238426036 573523818 /nfs/dbraw/zinc/52/38/18/573523818.db2.gz DSSQZVGURNUWQM-UHFFFAOYSA-N 0 0 178.168 1.865 10 0 ADAERN c1cnnc(C[C@@H]2CCOC2)c1 259485531 573523829 /nfs/dbraw/zinc/52/38/29/573523829.db2.gz PKUMXXJZYHKSLJ-QMMMGPOBSA-N 0 0 164.208 1.056 10 0 ADAERN Cc1ccc([C@H]2[NH2+]C[C@@H]2C(=O)[O-])cc1 257823620 573523851 /nfs/dbraw/zinc/52/38/51/573523851.db2.gz GNZYOTATNNRWHI-VHSXEESVSA-N 0 0 191.230 1.340 10 0 ADAERN CCCCO[C@H]1CC[C@H](O)C1 86621586 573523872 /nfs/dbraw/zinc/52/38/72/573523872.db2.gz GVBBLWNXYHOTMJ-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1C[NH+]1CCCCCC1 258746376 573523882 /nfs/dbraw/zinc/52/38/82/573523882.db2.gz WRMCTONVLDILJL-ZJUUUORDSA-N 0 0 197.278 1.583 10 0 ADAERN C[C@@H]1CCC[C@@]2(CC(=O)N(C)C2=O)C1 238425319 573523913 /nfs/dbraw/zinc/52/39/13/573523913.db2.gz RRHFPHFRHGZSRL-KCJUWKMLSA-N 0 0 195.262 1.572 10 0 ADAERN COCc1cccc(O)c1C=O 107329368 573523920 /nfs/dbraw/zinc/52/39/20/573523920.db2.gz HRNKQTXIPFIIQX-UHFFFAOYSA-N 0 0 166.176 1.351 10 0 ADAERN CC(C)Oc1ncc(C=O)cn1 107329473 573523939 /nfs/dbraw/zinc/52/39/39/573523939.db2.gz UTTRUAKAWMKBLM-UHFFFAOYSA-N 0 0 166.180 1.076 10 0 ADAERN COC(=O)CC1(CC(C)C)COC1 258744271 573524035 /nfs/dbraw/zinc/52/40/35/573524035.db2.gz QQKHNHCTPGZGKZ-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN C[C@@H]([NH3+])c1cc(O)ccc1C(=O)[O-] 238425187 573524056 /nfs/dbraw/zinc/52/40/56/573524056.db2.gz BACGBDZWKVODGL-RXMQYKEDSA-N 0 0 181.191 1.110 10 0 ADAERN CC(C)Oc1nccc(C=O)n1 107329469 573524094 /nfs/dbraw/zinc/52/40/94/573524094.db2.gz DQAVDXFJZXBQSI-UHFFFAOYSA-N 0 0 166.180 1.076 10 0 ADAERN CCC1(C(F)(F)F)COC1 258741529 573524126 /nfs/dbraw/zinc/52/41/26/573524126.db2.gz QKEPHRCEIHQARE-UHFFFAOYSA-N 0 0 154.131 1.975 10 0 ADAERN COc1c(C)c2ccccc2[nH]c1=O 142710439 573609777 /nfs/dbraw/zinc/60/97/77/573609777.db2.gz BHMNBLCLFBTVDL-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN CCCc1nccn1[C@H]1CC[C@H](O)C1 86621192 573524195 /nfs/dbraw/zinc/52/41/95/573524195.db2.gz LHBBECARVZAWCP-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2cc(F)ccc2N1 258057058 573524249 /nfs/dbraw/zinc/52/42/49/573524249.db2.gz LMCHOVKUTCVGIV-XCBNKYQSSA-N 0 0 195.237 1.933 10 0 ADAERN C[C@@H]1SCC(C)(C)C1=O 238426072 573524257 /nfs/dbraw/zinc/52/42/57/573524257.db2.gz GYEMHALGDNZHFB-YFKPBYRVSA-N 0 0 144.239 1.717 10 0 ADAERN CC(=O)Nc1n[nH]c2c1CCC[C@H]2C 238426204 573524283 /nfs/dbraw/zinc/52/42/83/573524283.db2.gz QSWPBJRDYCANNR-ZCFIWIBFSA-N 0 0 193.250 1.808 10 0 ADAERN O[C@@H]1CC[C@H](OCC2CC2)C1 86621568 573524292 /nfs/dbraw/zinc/52/42/92/573524292.db2.gz OPTPCOVIDCFDFY-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@]12CCCC(=O)[C@@H]1CC2=O 238425787 573524293 /nfs/dbraw/zinc/52/42/93/573524293.db2.gz WRWIIYSOZISCBT-IMTBSYHQSA-N 0 0 152.193 1.335 10 0 ADAERN O=C1CC[C@H](C(=O)c2cccnc2)C1 86622466 573527321 /nfs/dbraw/zinc/52/73/21/573527321.db2.gz AGFMLIBFURUJFD-QMMMGPOBSA-N 0 0 189.214 1.634 10 0 ADAERN C[C@@H]1CN[C@@](C)(c2ccco2)O1 258742361 573527322 /nfs/dbraw/zinc/52/73/22/573527322.db2.gz WDLPEJZPLYOHQS-VXNVDRBHSA-N 0 0 167.208 1.461 10 0 ADAERN CCO[C@H](C[C@H](CC)OC)OC 33611528 573527328 /nfs/dbraw/zinc/52/73/28/573527328.db2.gz XAPMEYQVHUTUEC-DTWKUNHWSA-N 0 0 176.256 1.811 10 0 ADAERN CN(C(=O)S)C1CCCC1 258746994 573526501 /nfs/dbraw/zinc/52/65/01/573526501.db2.gz TXQWIHWRLWOWFN-UHFFFAOYSA-N 0 0 159.254 1.911 10 0 ADAERN Cc1cc(C)n([C@@H]2CC[C@@H](O)C2)n1 86621037 573526509 /nfs/dbraw/zinc/52/65/09/573526509.db2.gz VFWDCAQPUQSXRU-NXEZZACHSA-N 0 0 180.251 1.586 10 0 ADAERN Cc1ccc([C@@H]2[NH2+]C[C@@H]2C(=O)[O-])cc1 257823618 573526517 /nfs/dbraw/zinc/52/65/17/573526517.db2.gz GNZYOTATNNRWHI-UWVGGRQHSA-N 0 0 191.230 1.340 10 0 ADAERN CN(C)[C@H](N)c1ccc(F)cc1F 259489470 573526518 /nfs/dbraw/zinc/52/65/18/573526518.db2.gz LCCHMDQPAWYKQX-VIFPVBQESA-N 0 0 186.205 1.484 10 0 ADAERN CCSC[C@@H](O)[C@H]1CCOC1 83484780 573526520 /nfs/dbraw/zinc/52/65/20/573526520.db2.gz RJILAEOTSBOFBO-JGVFFNPUSA-N 0 0 176.281 1.137 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)[NH2+]1 257827051 573526542 /nfs/dbraw/zinc/52/65/42/573526542.db2.gz HUCIZGPJZOSVQX-IUCAKERBSA-N 0 0 183.251 1.382 10 0 ADAERN CC(C)CN(C)C(=O)C1(CO)CCC1 258749265 573526545 /nfs/dbraw/zinc/52/65/45/573526545.db2.gz KKOZNOYNXGDPDG-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN C[C@@H]1Nc2ccccc2OC[C@@H]1O 238425448 573526559 /nfs/dbraw/zinc/52/65/59/573526559.db2.gz XQUPEUZDEVJGDY-CBAPKCEASA-N 0 0 179.219 1.240 10 0 ADAERN CN(C)c1nc(Cl)ncc1Cl 86621813 573526567 /nfs/dbraw/zinc/52/65/67/573526567.db2.gz VYLSTRYPTBYULF-UHFFFAOYSA-N 0 0 192.049 1.849 10 0 ADAERN C[C@@H](O)C1SCCS1 238425054 573526568 /nfs/dbraw/zinc/52/65/68/573526568.db2.gz KOMZRPGLKWMGSC-SCSAIBSYSA-N 0 0 150.268 1.173 10 0 ADAERN COC(=O)C1(c2cccs2)COC1 258750233 573526586 /nfs/dbraw/zinc/52/65/86/573526586.db2.gz RFNSRCRVDCNUQF-UHFFFAOYSA-N 0 0 198.243 1.189 10 0 ADAERN C[C@@H](O)C1(O[C@@H]2CCCCO2)CC1 238425171 573526592 /nfs/dbraw/zinc/52/65/92/573526592.db2.gz ULOSRRQYXYKCKQ-RKDXNWHRSA-N 0 0 186.251 1.443 10 0 ADAERN C[C@@H]1SC(=O)NC1=S 238424909 573526598 /nfs/dbraw/zinc/52/65/98/573526598.db2.gz LVTUTASYDOMGCB-REOHCLBHSA-N 0 0 147.224 1.159 10 0 ADAERN COC(=O)[C@@H](C)[C@@H]1CCCOC1 259613995 573526606 /nfs/dbraw/zinc/52/66/06/573526606.db2.gz FCZICCWGYJRKIZ-JGVFFNPUSA-N 0 0 172.224 1.222 10 0 ADAERN CCCSCC(=N)OC 83487861 573526607 /nfs/dbraw/zinc/52/66/07/573526607.db2.gz SXWZUGOVMKRBDN-UHFFFAOYSA-N 0 0 147.243 1.753 10 0 ADAERN CN(C(=O)C=O)c1ccc(F)c(F)c1 258748644 573526625 /nfs/dbraw/zinc/52/66/25/573526625.db2.gz UBTYSMYGFGZCKL-UHFFFAOYSA-N 0 0 199.156 1.127 10 0 ADAERN CC(C)(C)O[C@@H]1CC[C@@H](O)C1 86621539 573526632 /nfs/dbraw/zinc/52/66/32/573526632.db2.gz IRCJPUBSTVLQPP-HTQZYQBOSA-N 0 0 158.241 1.715 10 0 ADAERN CCSCc1nccc(N)n1 83486086 573526677 /nfs/dbraw/zinc/52/66/77/573526677.db2.gz VKPPRHCWNLKOQS-UHFFFAOYSA-N 0 0 169.253 1.312 10 0 ADAERN CC[C@@H](C)n1nnc(C)c1C(=O)OC 259486703 573526707 /nfs/dbraw/zinc/52/67/07/573526707.db2.gz AUFKCSGKNFNPLC-ZCFIWIBFSA-N 0 0 197.238 1.344 10 0 ADAERN Cc1cc(C)n([C@H]2CC[C@@H](O)C2)n1 86621038 573526712 /nfs/dbraw/zinc/52/67/12/573526712.db2.gz VFWDCAQPUQSXRU-VHSXEESVSA-N 0 0 180.251 1.586 10 0 ADAERN CCCCO[C@@H]1CC[C@H](O)C1 86621585 573526779 /nfs/dbraw/zinc/52/67/79/573526779.db2.gz GVBBLWNXYHOTMJ-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN COc1c(N)ccc2c1OCCC2=O 238425422 573526797 /nfs/dbraw/zinc/52/67/97/573526797.db2.gz PDJKKOGIULYTSU-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN CCSC[C@H](O)CC1CC1 83484983 573526800 /nfs/dbraw/zinc/52/68/00/573526800.db2.gz KLLBRIMOLAPVIU-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN COCCCNc1noc(C2CC2)n1 308614052 573526802 /nfs/dbraw/zinc/52/68/02/573526802.db2.gz RJEVEZVIQIRLOR-UHFFFAOYSA-N 0 0 197.238 1.395 10 0 ADAERN CN(CCc1cccc(F)c1)C(N)=O 258742916 573526812 /nfs/dbraw/zinc/52/68/12/573526812.db2.gz SNKHLMMIFFWJNM-UHFFFAOYSA-N 0 0 196.225 1.379 10 0 ADAERN Cc1nccn1[C@H]1CC[C@@H](O)C1 86621034 573526825 /nfs/dbraw/zinc/52/68/25/573526825.db2.gz BVHHUNUOVPVMIG-DTWKUNHWSA-N 0 0 166.224 1.277 10 0 ADAERN C[C@@]12CCC=C[C@]1(O)CCC2=O 238424902 573526833 /nfs/dbraw/zinc/52/68/33/573526833.db2.gz OCJSERHJVSQJBB-UWVGGRQHSA-N 0 0 166.220 1.437 10 0 ADAERN O=C1CC[C@@H](OCC2CCOCC2)C1 86619900 573526836 /nfs/dbraw/zinc/52/68/36/573526836.db2.gz AVUKSGFTIGZVKO-LLVKDONJSA-N 0 0 198.262 1.551 10 0 ADAERN COc1cc(F)cc2c1CCN2 107330220 573526848 /nfs/dbraw/zinc/52/68/48/573526848.db2.gz NIAAXXLTGCXEGR-UHFFFAOYSA-N 0 0 167.183 1.802 10 0 ADAERN COC(=O)CCCc1ccnc(C)n1 259614016 573526858 /nfs/dbraw/zinc/52/68/58/573526858.db2.gz FDEPWHGBBCBMNI-UHFFFAOYSA-N 0 0 194.234 1.281 10 0 ADAERN CC1=Nc2ncccc2N[C@H]1C 238426033 573526885 /nfs/dbraw/zinc/52/68/85/573526885.db2.gz GSWDGCIQPGNVNA-LURJTMIESA-N 0 0 161.208 1.988 10 0 ADAERN CCc1nccn1[C@@H]1CC[C@H](O)C1 86621127 573526913 /nfs/dbraw/zinc/52/69/13/573526913.db2.gz ORUJMDWMMNMNSG-BDAKNGLRSA-N 0 0 180.251 1.531 10 0 ADAERN Cc1c(C=O)sc2nccn12 107329607 573526936 /nfs/dbraw/zinc/52/69/36/573526936.db2.gz JSBABHSQDZMQJY-UHFFFAOYSA-N 0 0 166.205 1.517 10 0 ADAERN O[C@H]1CC[C@H](OCC(F)(F)F)C1 86621328 573526945 /nfs/dbraw/zinc/52/69/45/573526945.db2.gz LQFJRULQHCMITI-WDSKDSINSA-N 0 0 184.157 1.479 10 0 ADAERN O[C@@H]1CC[C@@H](Oc2ccccc2)C1 86621464 573526952 /nfs/dbraw/zinc/52/69/52/573526952.db2.gz HVVQXSMKLRTQTE-MWLCHTKSSA-N 0 0 178.231 1.979 10 0 ADAERN COC[C@H](CO)Nc1cccc(C)c1 308613228 573526960 /nfs/dbraw/zinc/52/69/60/573526960.db2.gz ZAQXLCYQQCBIOP-NSHDSACASA-N 0 0 195.262 1.414 10 0 ADAERN CCc1nccn1[C@@H]1CC[C@@H](O)C1 86621129 573526962 /nfs/dbraw/zinc/52/69/62/573526962.db2.gz ORUJMDWMMNMNSG-RKDXNWHRSA-N 0 0 180.251 1.531 10 0 ADAERN CC(C)Oc1ccnc(C=O)n1 107329475 573526976 /nfs/dbraw/zinc/52/69/76/573526976.db2.gz ONYFIBCISXWBMY-UHFFFAOYSA-N 0 0 166.180 1.076 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)NC(=O)NC2=S 238425403 573526986 /nfs/dbraw/zinc/52/69/86/573526986.db2.gz WEWLINGUIGELFZ-HZGVNTEJSA-N 0 0 198.291 1.576 10 0 ADAERN COCCCC[C@H](O)c1ncccn1 308611874 573526989 /nfs/dbraw/zinc/52/69/89/573526989.db2.gz YRXZJXUYADTRKP-VIFPVBQESA-N 0 0 196.250 1.327 10 0 ADAERN O=C1CC[C@@H](C(=O)c2cccnc2)C1 86622465 573526999 /nfs/dbraw/zinc/52/69/99/573526999.db2.gz AGFMLIBFURUJFD-MRVPVSSYSA-N 0 0 189.214 1.634 10 0 ADAERN COc1nc(-c2ccncc2)c(C)[nH]1 258502476 573527006 /nfs/dbraw/zinc/52/70/06/573527006.db2.gz DXRVNSGGOSITRZ-UHFFFAOYSA-N 0 0 189.218 1.789 10 0 ADAERN C[C@H](O)[C@H]1C[C@@H]1Oc1ccccc1 238425392 573527009 /nfs/dbraw/zinc/52/70/09/573527009.db2.gz YNAQGSNKHCDSQN-GDPRMGEGSA-N 0 0 178.231 1.835 10 0 ADAERN COc1c(N)cc(=O)[nH]c1C(F)F 238425128 573527084 /nfs/dbraw/zinc/52/70/84/573527084.db2.gz POYKTVRXPABKOK-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN O=C1CC[C@H](C(=O)C2CC2)C1 86622452 573527106 /nfs/dbraw/zinc/52/71/06/573527106.db2.gz WYIZUJMLACSZQG-ZETCQYMHSA-N 0 0 152.193 1.335 10 0 ADAERN O=C1CC[C@H](C(=O)c2ccccn2)C1 86622434 573527111 /nfs/dbraw/zinc/52/71/11/573527111.db2.gz GMKPIWMEVQNUDA-QMMMGPOBSA-N 0 0 189.214 1.634 10 0 ADAERN C[C@@H]1CN[C@](C)(c2ccco2)O1 258742318 573527117 /nfs/dbraw/zinc/52/71/17/573527117.db2.gz WDLPEJZPLYOHQS-APPZFPTMSA-N 0 0 167.208 1.461 10 0 ADAERN CCCC(C)(C)n1cnnc1CO 126405682 573527162 /nfs/dbraw/zinc/52/71/62/573527162.db2.gz FYIIPQUKFGTTQW-UHFFFAOYSA-N 0 0 183.255 1.306 10 0 ADAERN Nc1cc(N)c(=O)n(C2CCCC2)c1 257828031 573527168 /nfs/dbraw/zinc/52/71/68/573527168.db2.gz IDWUYUHDKBURTE-UHFFFAOYSA-N 0 0 193.250 1.128 10 0 ADAERN CCC[C@@H](O)CSCC 83484856 573527172 /nfs/dbraw/zinc/52/71/72/573527172.db2.gz AHICEDSVMUCDLG-SSDOTTSWSA-N 0 0 148.271 1.901 10 0 ADAERN O=C1CC[C@H](C(=O)c2ccncn2)C1 86622430 573527178 /nfs/dbraw/zinc/52/71/78/573527178.db2.gz FYWDVBNHRPOXNT-ZETCQYMHSA-N 0 0 190.202 1.029 10 0 ADAERN C[C@@H]1SC(=S)N(C)[C@@H](O)[C@@H]1C 238425129 573527184 /nfs/dbraw/zinc/52/71/84/573527184.db2.gz TWPNULLVUMXIAY-SRQIZXRXSA-N 0 0 191.321 1.293 10 0 ADAERN CC(C)CO[C@H]1CC[C@H](O)C1 86621506 573527195 /nfs/dbraw/zinc/52/71/95/573527195.db2.gz UWFGPNIBQLRDMH-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN O=C1CC[C@@H](C(=O)c2ccncn2)C1 86622429 573527204 /nfs/dbraw/zinc/52/72/04/573527204.db2.gz FYWDVBNHRPOXNT-SSDOTTSWSA-N 0 0 190.202 1.029 10 0 ADAERN CO[C@H]1CNc2c(F)cccc2C1 257827913 573527210 /nfs/dbraw/zinc/52/72/10/573527210.db2.gz HZWRKVBVXMMVPP-MRVPVSSYSA-N 0 0 181.210 1.809 10 0 ADAERN C[C@@H](ON)[C@@H]1CCCSC1 259490647 573527219 /nfs/dbraw/zinc/52/72/19/573527219.db2.gz PKLHFNXAERZLNN-RNFRBKRXSA-N 0 0 161.270 1.408 10 0 ADAERN CC(=O)CCN1O[C@@H](C(C)C)CC1=O 257827885 573527232 /nfs/dbraw/zinc/52/72/32/573527232.db2.gz GHLBVFRBWPLLLT-SECBINFHSA-N 0 0 199.250 1.154 10 0 ADAERN COC(=O)c1oc2cnccc2c1N 238424831 573527234 /nfs/dbraw/zinc/52/72/34/573527234.db2.gz LWNBHMYKYPPNKA-UHFFFAOYSA-N 0 0 192.174 1.197 10 0 ADAERN C/C(CO)=C1\CC[C@@H](C)C[C@@H]1O 238425582 573527253 /nfs/dbraw/zinc/52/72/53/573527253.db2.gz MLYMJHIRDWHOKH-VUYOSCBZSA-N 0 0 170.252 1.476 10 0 ADAERN CSCC[C@H](O)Cc1ccco1 130395411 573527254 /nfs/dbraw/zinc/52/72/54/573527254.db2.gz USXUJAPXBLCWIU-QMMMGPOBSA-N 0 0 186.276 1.936 10 0 ADAERN CC(C)[C@@H](CO)Nc1cc[nH]c1 258744508 573527256 /nfs/dbraw/zinc/52/72/56/573527256.db2.gz FXMUNENBVFZEEB-SECBINFHSA-N 0 0 168.240 1.444 10 0 ADAERN Cc1ccsc1CCN(C)C(N)=O 258750641 573527262 /nfs/dbraw/zinc/52/72/62/573527262.db2.gz UGHLJMSWDAKDGZ-UHFFFAOYSA-N 0 0 198.291 1.610 10 0 ADAERN CCSCC(=O)[C@@H]1CCOC1 83484522 573527345 /nfs/dbraw/zinc/52/73/45/573527345.db2.gz SQEBAXOBWDROAL-SSDOTTSWSA-N 0 0 174.265 1.345 10 0 ADAERN CO[C@@H]1CNc2c(F)cccc2C1 257827915 573527294 /nfs/dbraw/zinc/52/72/94/573527294.db2.gz HZWRKVBVXMMVPP-QMMMGPOBSA-N 0 0 181.210 1.809 10 0 ADAERN CC(=O)c1[nH]nc2c1[C@](C)(F)CC2 257824437 573542656 /nfs/dbraw/zinc/54/26/56/573542656.db2.gz GUCMDFXOKSXRBJ-SECBINFHSA-N 0 0 182.198 1.743 10 0 ADAERN COc1c(O)ccc(F)c1O 238435275 573542670 /nfs/dbraw/zinc/54/26/70/573542670.db2.gz DJFZAUUHWQNLGU-UHFFFAOYSA-N 0 0 158.128 1.246 10 0 ADAERN Cc1cc(C)c2[nH]c(=O)n(O)c2c1 95579998 573542673 /nfs/dbraw/zinc/54/26/73/573542673.db2.gz VEOOGZZBQWNLSL-UHFFFAOYSA-N 0 0 178.191 1.184 10 0 ADAERN CC(C)n1nnc(C2CC2)c1C=O 257825522 573542679 /nfs/dbraw/zinc/54/26/79/573542679.db2.gz HCHVDTSLZVIQGL-UHFFFAOYSA-N 0 0 179.223 1.549 10 0 ADAERN CC(C)C(=O)c1cnn2ccncc12 107349629 573542687 /nfs/dbraw/zinc/54/26/87/573542687.db2.gz ASOJTSNZWVMEIC-UHFFFAOYSA-N 0 0 189.218 1.568 10 0 ADAERN O=C(S)NCc1ccc(F)cc1 258767443 573542720 /nfs/dbraw/zinc/54/27/20/573542720.db2.gz WMDNIJTZYHVTQY-UHFFFAOYSA-N 0 0 185.223 1.965 10 0 ADAERN Cc1nccc([C@H](C)[NH3+])c1O 238434403 573542746 /nfs/dbraw/zinc/54/27/46/573542746.db2.gz IHLUUKAMBTTZHY-YFKPBYRVSA-N 0 0 152.197 1.115 10 0 ADAERN CN(C(=O)S)C1CCOCC1 258767596 573541883 /nfs/dbraw/zinc/54/18/83/573541883.db2.gz WOEXDLUGSYUCAP-UHFFFAOYSA-N 0 0 175.253 1.147 10 0 ADAERN CC(C)(CC(=O)[O-])[C@@H]([NH3+])C1CCC1 259497460 573541897 /nfs/dbraw/zinc/54/18/97/573541897.db2.gz UEYSZGXJUZHZBL-VIFPVBQESA-N 0 0 185.267 1.615 10 0 ADAERN CCOC(=O)N1CC(=O)CCC1(C)C 259105135 573541900 /nfs/dbraw/zinc/54/19/00/573541900.db2.gz KKLXBIVPAGVAMV-UHFFFAOYSA-N 0 0 199.250 1.586 10 0 ADAERN O=Cc1nncn1-c1ccccc1F 107352151 573541918 /nfs/dbraw/zinc/54/19/18/573541918.db2.gz PRVWEWRUSMHVRK-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN COc1c(O)cc([C@@H](C)O)cc1F 258056317 573541923 /nfs/dbraw/zinc/54/19/23/573541923.db2.gz LBMIBTJDAWMAMM-RXMQYKEDSA-N 0 0 186.182 1.593 10 0 ADAERN C[C@H](O)c1c[nH]c2ccccc2c1=O 95534990 573541938 /nfs/dbraw/zinc/54/19/38/573541938.db2.gz ZETLOWDTYJKRTL-ZETCQYMHSA-N 0 0 189.214 1.581 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@@]1(C)C[C@H]1C 714709040 573542786 /nfs/dbraw/zinc/54/27/86/573542786.db2.gz LOEYJXKYFJHJKJ-VEVYYDQMSA-N 0 0 167.252 1.415 10 0 ADAERN COC(=O)[C@]1(NCC2CC2)CC[C@@H]1C 308616429 573541961 /nfs/dbraw/zinc/54/19/61/573541961.db2.gz RVSPSAXZZOWSDQ-KWQFWETISA-N 0 0 197.278 1.328 10 0 ADAERN CCOc1cccc(O)c1CON 258056476 573541994 /nfs/dbraw/zinc/54/19/94/573541994.db2.gz LCXUCQFTGAKGGZ-UHFFFAOYSA-N 0 0 183.207 1.181 10 0 ADAERN CCOC(=O)/C=C\[C@@H](O)C1CCCC1 308616185 573542002 /nfs/dbraw/zinc/54/20/02/573542002.db2.gz AJJMAZDYAXWRTN-GQYWMQPJSA-N 0 0 198.262 1.657 10 0 ADAERN C[C@@H]1CCC(=O)N[C@H]1CC[C@@]1(C)CO1 238434364 573542006 /nfs/dbraw/zinc/54/20/06/573542006.db2.gz GSLYIRLOJWGBGZ-YWVKMMECSA-N 0 0 197.278 1.470 10 0 ADAERN NC(=S)CCC[C@@H]1CCCO1 83526930 573542013 /nfs/dbraw/zinc/54/20/13/573542013.db2.gz HTJCRDNCOYHECX-SSDOTTSWSA-N 0 0 173.281 1.622 10 0 ADAERN C[C@@H]1CCC(=O)[C@H](CF)O1 238435402 573542015 /nfs/dbraw/zinc/54/20/15/573542015.db2.gz FJYUJGQVZIXDDR-VDTYLAMSSA-N 0 0 146.161 1.093 10 0 ADAERN COC(=O)[C@@]1(NCC2CC2)CC[C@@H]1C 308616427 573542018 /nfs/dbraw/zinc/54/20/18/573542018.db2.gz RVSPSAXZZOWSDQ-GZMMTYOYSA-N 0 0 197.278 1.328 10 0 ADAERN Cc1ccn(CC[C@@H]2CCCO2)n1 83531421 573542035 /nfs/dbraw/zinc/54/20/35/573542035.db2.gz BOUIQJBRJZNRSI-JTQLQIEISA-N 0 0 180.251 1.761 10 0 ADAERN Nc1cccc([C@@H]2CCNC(=O)O2)c1 107354857 573542038 /nfs/dbraw/zinc/54/20/38/573542038.db2.gz ZOCQAUCLEKUEBM-VIFPVBQESA-N 0 0 192.218 1.440 10 0 ADAERN COc1nccnc1OC(F)(F)F 238435263 573542052 /nfs/dbraw/zinc/54/20/52/573542052.db2.gz RKJBFQSSLBSTHV-UHFFFAOYSA-N 0 0 194.112 1.384 10 0 ADAERN C[C@@H](C(=O)[O-])c1nc(C2CCC2)c[nH]1 259117892 573542054 /nfs/dbraw/zinc/54/20/54/573542054.db2.gz PQSYAMROUYYKEK-ZCFIWIBFSA-N 0 0 194.234 1.865 10 0 ADAERN O[C@@]1(CC[C@@H]2CCCO2)CCOC1 83528428 573542065 /nfs/dbraw/zinc/54/20/65/573542065.db2.gz DDWWMHUVUSETSK-UWVGGRQHSA-N 0 0 186.251 1.097 10 0 ADAERN CC(C)C1(C2(CO)CCC2)COC1 258767753 573542068 /nfs/dbraw/zinc/54/20/68/573542068.db2.gz STTCYOGBUAJHBP-UHFFFAOYSA-N 0 0 184.279 1.822 10 0 ADAERN COc1ccc(CC(C)=O)c(C=O)c1 258056287 573542074 /nfs/dbraw/zinc/54/20/74/573542074.db2.gz LBFJWRHFRIXFAO-UHFFFAOYSA-N 0 0 192.214 1.639 10 0 ADAERN N[C@H](c1cccc2c1OCC2)C(F)F 236300278 573542077 /nfs/dbraw/zinc/54/20/77/573542077.db2.gz DFBZBMCMDOKABK-MRVPVSSYSA-N 0 0 199.200 1.886 10 0 ADAERN Cc1nc(NCCC(N)=O)sc1C 83532710 573542123 /nfs/dbraw/zinc/54/21/23/573542123.db2.gz PPBKUUHGWFVROV-UHFFFAOYSA-N 0 0 199.279 1.047 10 0 ADAERN CCC[C@@H](CO)Cc1ccn(C)n1 124600142 573542136 /nfs/dbraw/zinc/54/21/36/573542136.db2.gz KPAHAWZTQCOQNM-SECBINFHSA-N 0 0 182.267 1.371 10 0 ADAERN CCOCC[C@@H](CCC(C)C)NN 130310027 573542142 /nfs/dbraw/zinc/54/21/42/573542142.db2.gz JWWFNMKLSYTYAW-SNVBAGLBSA-N 0 0 188.315 1.681 10 0 ADAERN Cc1ccnn1CC[C@@H]1CCCO1 83531425 573542190 /nfs/dbraw/zinc/54/21/90/573542190.db2.gz HTVCZOUDSZPUDM-JTQLQIEISA-N 0 0 180.251 1.761 10 0 ADAERN C[C@H](CCO)[C@]1(O)CC=CCC1 238435483 573542193 /nfs/dbraw/zinc/54/21/93/573542193.db2.gz XZEKWGMIPPHOPO-ZJUUUORDSA-N 0 0 170.252 1.476 10 0 ADAERN CSc1c(O)cccc1CO 258056492 573542209 /nfs/dbraw/zinc/54/22/09/573542209.db2.gz SBWWZWSHVJPOCY-UHFFFAOYSA-N 0 0 170.233 1.606 10 0 ADAERN Cc1ccccc1-c1nc(N)nn1C 107349232 573542223 /nfs/dbraw/zinc/54/22/23/573542223.db2.gz DIIOFKODIWKISS-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@@]12CCCC[C@]1(O)[C@@H](O)CCC2 238434667 573542226 /nfs/dbraw/zinc/54/22/26/573542226.db2.gz VLUROGYVAKSLOW-DCAQKATOSA-N 0 0 184.279 1.843 10 0 ADAERN CCO[C@@H]1CC(=O)[C@@]1(C)CC 83532172 573542230 /nfs/dbraw/zinc/54/22/30/573542230.db2.gz IKYGQZWWZQZDNK-RKDXNWHRSA-N 0 0 156.225 1.781 10 0 ADAERN CC[C@H](O)[C@H](C)/C=C/C=C\C(=O)OC 308615679 573542249 /nfs/dbraw/zinc/54/22/49/573542249.db2.gz ADGAGESORLUFPF-CFKNAJKLSA-N 0 0 198.262 1.679 10 0 ADAERN CCC[C@H]1CN(C(C)C)C(=O)N1C 259499363 573542275 /nfs/dbraw/zinc/54/22/75/573542275.db2.gz QBPLHOLQFINLCQ-VIFPVBQESA-N 0 0 184.283 1.931 10 0 ADAERN Oc1cc2c3c(c1)CCN3CCC2 259500371 573542282 /nfs/dbraw/zinc/54/22/82/573542282.db2.gz OAGHVJUAESKCRD-UHFFFAOYSA-N 0 0 175.231 1.701 10 0 ADAERN Nc1ccccc1[C@@H]1CCNC(=O)O1 107354850 573542305 /nfs/dbraw/zinc/54/23/05/573542305.db2.gz QZSVGSRYYHSTTD-VIFPVBQESA-N 0 0 192.218 1.440 10 0 ADAERN CC(C)C[C@H](CO)NCC(F)F 40776801 573542312 /nfs/dbraw/zinc/54/23/12/573542312.db2.gz DXAXVPYIHYXWTC-SSDOTTSWSA-N 0 0 181.226 1.248 10 0 ADAERN Cn1nc(N)cc1[C@@H]1CCCCO1 257825499 573542314 /nfs/dbraw/zinc/54/23/14/573542314.db2.gz HBMBOUBIFZPSQR-QMMMGPOBSA-N 0 0 181.239 1.244 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@@H]1CCCOC1 257824866 573542320 /nfs/dbraw/zinc/54/23/20/573542320.db2.gz HBMSAJIQZDVCMB-SFYZADRCSA-N 0 0 194.221 1.819 10 0 ADAERN CCc1nc(C(F)(F)C(F)F)n[nH]1 86638956 573542324 /nfs/dbraw/zinc/54/23/24/573542324.db2.gz OGIZZSXPPWSYHV-UHFFFAOYSA-N 0 0 197.135 1.724 10 0 ADAERN Cc1nc(-n2ccnc2)sc1C 83533611 573542325 /nfs/dbraw/zinc/54/23/25/573542325.db2.gz WIHPCPQRYLOZHL-UHFFFAOYSA-N 0 0 179.248 1.946 10 0 ADAERN CCOC(=O)[C@@H]1[C@H](OC)C1(C)C 259501178 573542334 /nfs/dbraw/zinc/54/23/34/573542334.db2.gz ATASTBUJTIRHIC-BQBZGAKWSA-N 0 0 172.224 1.221 10 0 ADAERN Cc1c(CCCO)cnn1CC(C)C 257824811 573542348 /nfs/dbraw/zinc/54/23/48/573542348.db2.gz GZKYZYZQZFHWQT-UHFFFAOYSA-N 0 0 196.294 1.772 10 0 ADAERN Cc1ccc(-n2cnnc2C=O)cc1 107348297 573542366 /nfs/dbraw/zinc/54/23/66/573542366.db2.gz NQVSSUKODSZOFM-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN C[C@H](O)CC[C@H](C)[C@H](C)O 238435173 573542416 /nfs/dbraw/zinc/54/24/16/573542416.db2.gz VWRMHWAYIOHUNG-FXQIFTODSA-N 0 0 146.230 1.164 10 0 ADAERN C[C@@H](O)CCC[C@H](O)CCCCO 220684720 573542429 /nfs/dbraw/zinc/54/24/29/573542429.db2.gz AYDRGBHGXSVAGT-NXEZZACHSA-N 0 0 190.283 1.061 10 0 ADAERN Cc1cccc2c1N1[C@@H]([NH3+])CC[C@@H]1C2 257825269 573542443 /nfs/dbraw/zinc/54/24/43/573542443.db2.gz HCUSEHQEYGTDQU-GHMZBOCLSA-N 0 0 188.274 1.805 10 0 ADAERN C[C@H](O)c1cc(=O)[nH]c2ccccc12 238435194 573542444 /nfs/dbraw/zinc/54/24/44/573542444.db2.gz LQLHLWXLMVMZKE-ZETCQYMHSA-N 0 0 189.214 1.581 10 0 ADAERN C[C@H](CCO)[C@@H]1CCC(=O)[C@@H]1C 238435327 573542450 /nfs/dbraw/zinc/54/24/50/573542450.db2.gz KQZSHDLIISLLGY-HLTSFMKQSA-N 0 0 170.252 1.620 10 0 ADAERN CC[N@@H+]1CCC[C@H](C(=O)[O-])C1(C)C 259501520 573542453 /nfs/dbraw/zinc/54/24/53/573542453.db2.gz SYGJHWDULYAXCJ-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[C@H](O)COCOCC 238262491 573542462 /nfs/dbraw/zinc/54/24/62/573542462.db2.gz KXJFQXXKLMQUGF-QMMMGPOBSA-N 0 0 162.229 1.158 10 0 ADAERN NOCCc1cccc(C2(O)CC2)c1 259499971 573542471 /nfs/dbraw/zinc/54/24/71/573542471.db2.gz QTDWZKOBVVQOHL-UHFFFAOYSA-N 0 0 193.246 1.101 10 0 ADAERN COC(=O)C1=C(O)CC(C)(C)C1(C)C 39112640 573542487 /nfs/dbraw/zinc/54/24/87/573542487.db2.gz FBHQEHSOKYSPPK-QMMMGPOBSA-N 0 0 198.262 1.801 10 0 ADAERN C/C=C\C[N@H+](CC(=O)[O-])C1CCCC1 215338019 573542530 /nfs/dbraw/zinc/54/25/30/573542530.db2.gz NKWNLWFENKWIKY-IHWYPQMZSA-N 0 0 197.278 1.892 10 0 ADAERN CCCCCOc1ncc(C=O)cn1 126449747 573542535 /nfs/dbraw/zinc/54/25/35/573542535.db2.gz AOXYFGOVLCSKFJ-UHFFFAOYSA-N 0 0 194.234 1.858 10 0 ADAERN COc1c2[nH]cccc-2c(O)cc1=O 238434878 573542554 /nfs/dbraw/zinc/54/25/54/573542554.db2.gz QLAHUKXFPVQWLO-UHFFFAOYSA-N 0 0 191.186 1.655 10 0 ADAERN CC(C)[NH2+]CC(C)(C)CC(=O)[O-] 258766288 573542584 /nfs/dbraw/zinc/54/25/84/573542584.db2.gz YHXBUMRURNJTPH-UHFFFAOYSA-N 0 0 173.256 1.485 10 0 ADAERN Cn1nc(N)nc1-c1cccc(F)c1 107354269 573542589 /nfs/dbraw/zinc/54/25/89/573542589.db2.gz XIDKQCBEXIEHID-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN CC(=O)c1cnn2c(C)cc(C)nc12 107349622 573542598 /nfs/dbraw/zinc/54/25/98/573542598.db2.gz FWISWZMPOZIWOZ-UHFFFAOYSA-N 0 0 189.218 1.549 10 0 ADAERN Cc1nc(C[C@@H](C)O)sc1C 83533415 573542608 /nfs/dbraw/zinc/54/26/08/573542608.db2.gz UXMJJQASDRBMDU-RXMQYKEDSA-N 0 0 171.265 1.683 10 0 ADAERN [NH3+]Cc1ccnn1-c1ccccc1O 107349519 573542609 /nfs/dbraw/zinc/54/26/09/573542609.db2.gz IBYKDIHGUXOSBI-UHFFFAOYSA-N 0 0 189.218 1.037 10 0 ADAERN OC1(C[C@H]2CCCO2)CC1 83525468 573542624 /nfs/dbraw/zinc/54/26/24/573542624.db2.gz IJWSGVHIDDZZJO-SSDOTTSWSA-N 0 0 142.198 1.080 10 0 ADAERN O=Cc1ccc2c(Cl)nccn12 257825044 573542625 /nfs/dbraw/zinc/54/26/25/573542625.db2.gz GYPJGXMCUUWLPZ-UHFFFAOYSA-N 0 0 180.594 1.800 10 0 ADAERN Nc1cccc([C@H]2CCNC(=O)O2)c1 107354860 573542631 /nfs/dbraw/zinc/54/26/31/573542631.db2.gz ZOCQAUCLEKUEBM-SECBINFHSA-N 0 0 192.218 1.440 10 0 ADAERN COc1c(O)ccc(C[C@H](C)O)c1C 238435229 573542635 /nfs/dbraw/zinc/54/26/35/573542635.db2.gz LTMJEQLKJPLYKR-ZETCQYMHSA-N 0 0 196.246 1.633 10 0 ADAERN C[C@H](O)C(F)(F)c1ccc(O)cc1 257825312 573542636 /nfs/dbraw/zinc/54/26/36/573542636.db2.gz HEAGHYSTSVNTHX-LURJTMIESA-N 0 0 188.173 1.865 10 0 ADAERN C[NH2+]Cc1cc2cnn(C)c2cc1F 107356479 573542638 /nfs/dbraw/zinc/54/26/38/573542638.db2.gz VJYPMNOBVJOCIP-UHFFFAOYSA-N 0 0 193.225 1.432 10 0 ADAERN N[C@@H](C(F)F)[C@@H]1CCc2cccnc21 236299682 573544862 /nfs/dbraw/zinc/54/48/62/573544862.db2.gz WKHYSEFZLQTUAX-JGVFFNPUSA-N 0 0 198.216 1.704 10 0 ADAERN C[C@H](O)CC[C@H](C)C1=NC(C)(C)CO1 308626941 573544863 /nfs/dbraw/zinc/54/48/63/573544863.db2.gz NSNJZKBNWLEAQN-IUCAKERBSA-N 0 0 199.294 1.991 10 0 ADAERN CC(C)(C)c1ccnc(CCO)n1 259118559 573544928 /nfs/dbraw/zinc/54/49/28/573544928.db2.gz PKPLBJQIFMQKPO-UHFFFAOYSA-N 0 0 180.251 1.309 10 0 ADAERN CO/C=C/C[C@@H]1NC(=O)C[C@@H]1C 238435774 573544934 /nfs/dbraw/zinc/54/49/34/573544934.db2.gz NMXJWUVWWKVJMB-VKTMEOEOSA-N 0 0 169.224 1.061 10 0 ADAERN O=C1c2cccc(=O)cc2-c2occc21 39112647 573544212 /nfs/dbraw/zinc/54/42/12/573544212.db2.gz IJXSKSURTCNXIJ-UHFFFAOYSA-N 0 0 198.177 1.851 10 0 ADAERN O[C@]1(CC[C@H]2CCCO2)CCOC1 83528429 573544215 /nfs/dbraw/zinc/54/42/15/573544215.db2.gz DDWWMHUVUSETSK-NXEZZACHSA-N 0 0 186.251 1.097 10 0 ADAERN Cc1ccc(/C=C\[C@H](O)CCO)cc1 308627414 573544220 /nfs/dbraw/zinc/54/42/20/573544220.db2.gz ORVQXAPTLIZALQ-DGMVEKRQSA-N 0 0 192.258 1.752 10 0 ADAERN C/C=C/CNC(C)(C)c1noc(C)n1 308626878 573544250 /nfs/dbraw/zinc/54/42/50/573544250.db2.gz XAJGJYXPSULVQV-AATRIKPKSA-N 0 0 195.266 1.779 10 0 ADAERN C[C@H](C(=O)[O-])c1nc(C2CCC2)c[nH]1 259117890 573544258 /nfs/dbraw/zinc/54/42/58/573544258.db2.gz PQSYAMROUYYKEK-LURJTMIESA-N 0 0 194.234 1.865 10 0 ADAERN CC[C@H](C)[N@H+](CC(=O)[O-])[C@@H]1CC[C@@H]1C 308626258 573544956 /nfs/dbraw/zinc/54/49/56/573544956.db2.gz WNAWLQSQRCLDKQ-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN NC(=S)CC[C@@H]1CCCO1 83526932 573544265 /nfs/dbraw/zinc/54/42/65/573544265.db2.gz SCHRLIXUVWVGJN-LURJTMIESA-N 0 0 159.254 1.232 10 0 ADAERN Cc1cc(C)c(NC(=O)C=O)cc1C 258767703 573544287 /nfs/dbraw/zinc/54/42/87/573544287.db2.gz WRVQIXBMAMBJTF-UHFFFAOYSA-N 0 0 191.230 1.749 10 0 ADAERN O=C1NCC[C@@H](c2ccc(O)cc2)O1 107356297 573544316 /nfs/dbraw/zinc/54/43/16/573544316.db2.gz IVNFPSGNLBDWEG-VIFPVBQESA-N 0 0 193.202 1.563 10 0 ADAERN [NH3+]Cc1ccnn1-c1cccc(F)c1 107352712 573544326 /nfs/dbraw/zinc/54/43/26/573544326.db2.gz OBSFGLHSQFZQIP-UHFFFAOYSA-N 0 0 191.209 1.470 10 0 ADAERN CC[C@H](CO)[C@@](C)(O)c1ccccc1 308626139 573544348 /nfs/dbraw/zinc/54/43/48/573544348.db2.gz LVSOBRSKLZRNAF-ZYHUDNBSSA-N 0 0 194.274 1.913 10 0 ADAERN CCO[C@H]1CC(=O)[C@@]1(C)CC 83532174 573544355 /nfs/dbraw/zinc/54/43/55/573544355.db2.gz IKYGQZWWZQZDNK-DTWKUNHWSA-N 0 0 156.225 1.781 10 0 ADAERN CC(=O)CCN1OC2(CCC2)CC1=O 257825256 573544378 /nfs/dbraw/zinc/54/43/78/573544378.db2.gz HCGSDISMFPVFQW-UHFFFAOYSA-N 0 0 197.234 1.052 10 0 ADAERN CCCC(C)(C)C[C@@H](C[NH3+])C(=O)[O-] 13974785 573544390 /nfs/dbraw/zinc/54/43/90/573544390.db2.gz RODVCDKFAMWUKC-QMMMGPOBSA-N 0 0 187.283 1.862 10 0 ADAERN COc1cccc2cnc(C[NH3+])nc12 257825257 573544409 /nfs/dbraw/zinc/54/44/09/573544409.db2.gz HCILGCDWPXCINE-UHFFFAOYSA-N 0 0 189.218 1.097 10 0 ADAERN O=C1c2ccc(O)cc2CN1C1CC1 198273526 573544423 /nfs/dbraw/zinc/54/44/23/573544423.db2.gz AXZIWSNYOQSIIC-UHFFFAOYSA-N 0 0 189.214 1.510 10 0 ADAERN C[C@H](O)CCC[C@H](O)CCCCO 220684660 573544430 /nfs/dbraw/zinc/54/44/30/573544430.db2.gz AYDRGBHGXSVAGT-VHSXEESVSA-N 0 0 190.283 1.061 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H]2[C@@H](CO)[C@]12C 238435084 573544445 /nfs/dbraw/zinc/54/44/45/573544445.db2.gz UEMOQNKNURPCCX-XFFJFQIUSA-N 0 0 168.236 1.230 10 0 ADAERN OC1(CC[C@@H]2CCCO2)CC1 83525463 573544449 /nfs/dbraw/zinc/54/44/49/573544449.db2.gz VQAMGUKQGKCFNA-QMMMGPOBSA-N 0 0 156.225 1.471 10 0 ADAERN CC(C)(C[C@H]1CCOC1)ON 259500598 573544512 /nfs/dbraw/zinc/54/45/12/573544512.db2.gz QQFDRAFQUIKIIT-SSDOTTSWSA-N 0 0 159.229 1.082 10 0 ADAERN Cc1nc(C[C@H](C)O)sc1C 83533416 573544519 /nfs/dbraw/zinc/54/45/19/573544519.db2.gz UXMJJQASDRBMDU-YFKPBYRVSA-N 0 0 171.265 1.683 10 0 ADAERN NC(=S)CCC[C@H]1CCCO1 83526929 573544540 /nfs/dbraw/zinc/54/45/40/573544540.db2.gz HTJCRDNCOYHECX-ZETCQYMHSA-N 0 0 173.281 1.622 10 0 ADAERN O=Cc1c2c(nn1C1CC1)COCC2 257824848 573544544 /nfs/dbraw/zinc/54/45/44/573544544.db2.gz HAWQBCLVXRIQBO-UHFFFAOYSA-N 0 0 192.218 1.103 10 0 ADAERN C[C@@H](NCc1ccon1)c1ccon1 308627255 573544545 /nfs/dbraw/zinc/54/45/45/573544545.db2.gz XENKVMBTYPKVLI-SSDOTTSWSA-N 0 0 193.206 1.513 10 0 ADAERN Nc1nc(C=O)nc2ccc(F)cc12 257825366 573544563 /nfs/dbraw/zinc/54/45/63/573544563.db2.gz HFFOYEFPVLIFJI-UHFFFAOYSA-N 0 0 191.165 1.164 10 0 ADAERN NC(=S)CC[C@H]1CCCO1 83526931 573544573 /nfs/dbraw/zinc/54/45/73/573544573.db2.gz SCHRLIXUVWVGJN-ZCFIWIBFSA-N 0 0 159.254 1.232 10 0 ADAERN C/C=C\[C@H](O)CC(=O)C[C@H](O)/C=C/C 308626722 573544576 /nfs/dbraw/zinc/54/45/76/573544576.db2.gz NHJNMPHMSCZKDO-QQMKGDIISA-N 0 0 198.262 1.210 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]1C[NH+]1CCCC1 86658694 573544585 /nfs/dbraw/zinc/54/45/85/573544585.db2.gz PSBJLEKVMRZPNR-UWVGGRQHSA-N 0 0 197.278 1.583 10 0 ADAERN CCn1nc(N)c2c1CCC2(F)F 257825010 573544594 /nfs/dbraw/zinc/54/45/94/573544594.db2.gz GXDXAKAICWHDQT-UHFFFAOYSA-N 0 0 187.193 1.523 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]1C[NH+]1CCCC1 86658695 573544621 /nfs/dbraw/zinc/54/46/21/573544621.db2.gz PSBJLEKVMRZPNR-ZJUUUORDSA-N 0 0 197.278 1.583 10 0 ADAERN COC(=O)[C@@H]1[C@@H](OC)[C@H]1c1ccco1 259497794 573544623 /nfs/dbraw/zinc/54/46/23/573544623.db2.gz AJIYMJPCPDWRGS-CIUDSAMLSA-N 0 0 196.202 1.181 10 0 ADAERN CCC1(CC)CCC(C(=O)OC)=C1O 39112672 573544630 /nfs/dbraw/zinc/54/46/30/573544630.db2.gz LFYYLBZWXZFHQF-MRVPVSSYSA-N 0 0 198.262 1.945 10 0 ADAERN O=C([O-])CC[N@@H+]1CC[C@H](CC2CC2)C1 393533420 573544635 /nfs/dbraw/zinc/54/46/35/573544635.db2.gz XUKCJOHSJKQQCL-SNVBAGLBSA-N 0 0 197.278 1.583 10 0 ADAERN Cc1cncc(CC(C)(C)O)c1 259501108 573544639 /nfs/dbraw/zinc/54/46/39/573544639.db2.gz YUYLPWFOPBTXTE-UHFFFAOYSA-N 0 0 165.236 1.703 10 0 ADAERN CCC[NH2+][C@]1(CC(=O)[O-])C[C@@H](C)[C@@H]1C 308611182 573544645 /nfs/dbraw/zinc/54/46/45/573544645.db2.gz MVDJJMJCVJNTLR-YWVKMMECSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cc(CCON)cc(N)c1C 259500135 573544655 /nfs/dbraw/zinc/54/46/55/573544655.db2.gz QWWBGZFJKBOUAT-UHFFFAOYSA-N 0 0 180.251 1.318 10 0 ADAERN C[C@H](O)C(F)(F)C[C@@H]1CCCOC1 257825244 573544692 /nfs/dbraw/zinc/54/46/92/573544692.db2.gz HBMSAJIQZDVCMB-YUMQZZPRSA-N 0 0 194.221 1.819 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@@H](C(=O)[O-])C(C)(C)C 86658156 573544720 /nfs/dbraw/zinc/54/47/20/573544720.db2.gz JHKMKDBVJVTDSK-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)(O)C(=O)Oc1ccccc1F 259499491 573544734 /nfs/dbraw/zinc/54/47/34/573544734.db2.gz JGLWPZBFVFKBIY-UHFFFAOYSA-N 0 0 198.193 1.502 10 0 ADAERN CCOC(=O)Cc1cc(CC)ns1 259501275 573544744 /nfs/dbraw/zinc/54/47/44/573544744.db2.gz UPFQFVWYVLLWKR-UHFFFAOYSA-N 0 0 199.275 1.811 10 0 ADAERN CNC(=O)N(C)c1ccc(F)c(C)c1 258767468 573544761 /nfs/dbraw/zinc/54/47/61/573544761.db2.gz WMMIMBCYJJTLIX-UHFFFAOYSA-N 0 0 196.225 1.910 10 0 ADAERN CC(=O)Cc1cccc(C2(O)CC2)c1 259499968 573544768 /nfs/dbraw/zinc/54/47/68/573544768.db2.gz QTBVHPROBHGVKP-UHFFFAOYSA-N 0 0 190.242 1.800 10 0 ADAERN O=Cc1ncc2cccc(F)c2n1 257825104 573544770 /nfs/dbraw/zinc/54/47/70/573544770.db2.gz HATJQYNLRWZFCI-UHFFFAOYSA-N 0 0 176.150 1.581 10 0 ADAERN CC(C)C1CC(NC(=O)CCCO)C1 714708661 573544784 /nfs/dbraw/zinc/54/47/84/573544784.db2.gz VSICILVVQBRQEM-UHFFFAOYSA-N 0 0 199.294 1.310 10 0 ADAERN CO[C@H]1CNc2ccc(O)cc2C1 257824413 573544812 /nfs/dbraw/zinc/54/48/12/573544812.db2.gz GSYSBBWMSJYURW-SECBINFHSA-N 0 0 179.219 1.375 10 0 ADAERN COC(=O)CC(=O)Nc1cccs1 258767712 573544817 /nfs/dbraw/zinc/54/48/17/573544817.db2.gz WSOHPASXQHWPLZ-UHFFFAOYSA-N 0 0 199.231 1.250 10 0 ADAERN C[C@@]12CCC[C@@](CCO)(C1)NC(=O)C2 238439011 573556384 /nfs/dbraw/zinc/55/63/84/573556384.db2.gz VYACHFDQGKCRRY-WDEREUQCSA-N 0 0 197.278 1.208 10 0 ADAERN CCC[C@@H](CO)OCOCC 215257009 573556386 /nfs/dbraw/zinc/55/63/86/573556386.db2.gz ILPCBMYDZLNLBN-QMMMGPOBSA-N 0 0 162.229 1.158 10 0 ADAERN Cc1ccc(C)n1N[C@H]1COC[C@@H]1C 687961115 573556402 /nfs/dbraw/zinc/55/64/02/573556402.db2.gz ANYCSIOVLLUZFY-KWQFWETISA-N 0 0 194.278 1.683 10 0 ADAERN C[NH2+][C@H](C[C@@H](C)C(=O)[O-])C1CCC1 259505036 573556432 /nfs/dbraw/zinc/55/64/32/573556432.db2.gz SISOJNZWDSKDED-VXNVDRBHSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1CNC(=O)C2(CCC2)C1 238439003 573556451 /nfs/dbraw/zinc/55/64/51/573556451.db2.gz VZQMBMRSWHOYPY-SSDOTTSWSA-N 0 0 153.225 1.313 10 0 ADAERN COc1nc2cccc(C)n2n1 259504650 573556452 /nfs/dbraw/zinc/55/64/52/573556452.db2.gz OIWFKEKDUKAQQI-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN C[C@@H](O)[C@@H]1CCc2c(O)cccc2C1 238439110 573556464 /nfs/dbraw/zinc/55/64/64/573556464.db2.gz XPWKRUGXDLCKFM-RKDXNWHRSA-N 0 0 192.258 1.878 10 0 ADAERN CCc1c(O)cccc1C(N)=O 95711036 573556465 /nfs/dbraw/zinc/55/64/65/573556465.db2.gz BJKVCPWFPQHHHS-UHFFFAOYSA-N 0 0 165.192 1.054 10 0 ADAERN Cn1ccc([C@@H](O)c2ccsc2)n1 83572416 573556470 /nfs/dbraw/zinc/55/64/70/573556470.db2.gz IMLRIDQSYOPXSI-VIFPVBQESA-N 0 0 194.259 1.563 10 0 ADAERN CC(C)=C=CC[C@@H]1CCC(=O)N1 223137761 573556473 /nfs/dbraw/zinc/55/64/73/573556473.db2.gz SXKXTGXSTQTEIS-SECBINFHSA-N 0 0 165.236 1.776 10 0 ADAERN C[C@H](O)C[C@H]1Cc2c(O)cccc2N1 258063374 573555646 /nfs/dbraw/zinc/55/56/46/573555646.db2.gz GJCYAVFVIFFOMA-YUMQZZPRSA-N 0 0 193.246 1.500 10 0 ADAERN CC(C)CCN1Cc2cncnc2C1 585332184 573555658 /nfs/dbraw/zinc/55/56/58/573555658.db2.gz KXPSCYQBFKRWOR-UHFFFAOYSA-N 0 0 191.278 1.838 10 0 ADAERN CC(C)C[C@H]1CN(C(C)C)C(=O)N1 259504365 573555659 /nfs/dbraw/zinc/55/56/59/573555659.db2.gz QKYNIUTXKPCESI-VIFPVBQESA-N 0 0 184.283 1.835 10 0 ADAERN Cc1cnccc1[C@H](C)CO 238438938 573555661 /nfs/dbraw/zinc/55/56/61/573555661.db2.gz MDZMDSSGSSVQMS-MRVPVSSYSA-N 0 0 151.209 1.486 10 0 ADAERN Nc1cnnc([C@H]2CCCCO2)c1 259505184 573555691 /nfs/dbraw/zinc/55/56/91/573555691.db2.gz RHXKEEQVHBJAGE-SECBINFHSA-N 0 0 179.223 1.300 10 0 ADAERN CCn1cnc(COC(C)C)c1 258060620 573555703 /nfs/dbraw/zinc/55/57/03/573555703.db2.gz GHAJRJMCOJCKRP-UHFFFAOYSA-N 0 0 168.240 1.828 10 0 ADAERN CC[N@@H+]1CCC[C@H]1/C=C\C(=O)[O-] 258060967 573556492 /nfs/dbraw/zinc/55/64/92/573556492.db2.gz DROBPDBZENERER-SLGIHZDVSA-N 0 0 169.224 1.112 10 0 ADAERN C[C@@H]1C(=O)[C@H]2CCCO[C@@H]12 238438386 573555753 /nfs/dbraw/zinc/55/57/53/573555753.db2.gz LDELVEZTCBLYFY-JKMUOGBPSA-N 0 0 140.182 1.000 10 0 ADAERN C[NH2+][C@H](C1CCC1)C(C)(C)C(=O)[O-] 259507895 573555754 /nfs/dbraw/zinc/55/57/54/573555754.db2.gz SNBMREPWIGWEJQ-MRVPVSSYSA-N 0 0 185.267 1.485 10 0 ADAERN C=Cc1nc(-c2ccn(C)n2)no1 83571362 573556499 /nfs/dbraw/zinc/55/64/99/573556499.db2.gz QAYHLHOKFXDGIN-UHFFFAOYSA-N 0 0 176.179 1.113 10 0 ADAERN C[C@H](CO)c1ccc2nc(N)oc2c1 238439077 573555778 /nfs/dbraw/zinc/55/57/78/573555778.db2.gz LPPNAXVZCWRDGL-ZCFIWIBFSA-N 0 0 192.218 1.506 10 0 ADAERN COC(=O)[C@](C)(F)c1ccc(C)o1 257826525 573555826 /nfs/dbraw/zinc/55/58/26/573555826.db2.gz HPGAAPMWZVRQAM-SECBINFHSA-N 0 0 186.182 1.946 10 0 ADAERN C[N@@H+]1CCCC[C@H]1COc1cn[nH]c1 258771385 573555845 /nfs/dbraw/zinc/55/58/45/573555845.db2.gz WYAMTGWFFFHYEJ-VIFPVBQESA-N 0 0 195.266 1.273 10 0 ADAERN CCC[C@H](CO)OCOCC 215257056 573555847 /nfs/dbraw/zinc/55/58/47/573555847.db2.gz ILPCBMYDZLNLBN-MRVPVSSYSA-N 0 0 162.229 1.158 10 0 ADAERN CNc1ccc2c(c1)O[C@H](C)C(=O)N2 259506419 573555859 /nfs/dbraw/zinc/55/58/59/573555859.db2.gz ONAMEOOSIJECEK-ZCFIWIBFSA-N 0 0 192.218 1.448 10 0 ADAERN Cn1c(C2CCC2)cc(N)cc1=O 257826499 573555862 /nfs/dbraw/zinc/55/58/62/573555862.db2.gz HOMIPGNNUGPIFC-UHFFFAOYSA-N 0 0 178.235 1.235 10 0 ADAERN CC[C@H]1[C@@H](C(=O)OC)C1(C)C 259504354 573555918 /nfs/dbraw/zinc/55/59/18/573555918.db2.gz BCJOIINVXNZVKV-BQBZGAKWSA-N 0 0 156.225 1.842 10 0 ADAERN Oc1cccc2nocc12 257830016 573555925 /nfs/dbraw/zinc/55/59/25/573555925.db2.gz JBJHLOVEZCGEDG-UHFFFAOYSA-N 0 0 135.122 1.533 10 0 ADAERN CO[C@H](C)c1ccc(CNO)cc1 258060281 573555927 /nfs/dbraw/zinc/55/59/27/573555927.db2.gz SMDUFTOPCREUHS-MRVPVSSYSA-N 0 0 181.235 1.873 10 0 ADAERN C[C@H]1C[C@H](CCCO)CCC1=O 238438541 573555937 /nfs/dbraw/zinc/55/59/37/573555937.db2.gz VQHWIJOUZHAWGS-DTWKUNHWSA-N 0 0 170.252 1.764 10 0 ADAERN C=C=C(C)C[C@H]1CCC(=O)N1 223137683 573555940 /nfs/dbraw/zinc/55/59/40/573555940.db2.gz BHWQVICYZUGPTF-MRVPVSSYSA-N 0 0 151.209 1.386 10 0 ADAERN Cc1oc(N)nc1-c1ccccc1N 257830113 573555941 /nfs/dbraw/zinc/55/59/41/573555941.db2.gz IWKHRLCNMJXLKF-UHFFFAOYSA-N 0 0 189.218 1.814 10 0 ADAERN COC1=C(C(F)F)C(=O)NCC1=O 238438703 573555943 /nfs/dbraw/zinc/55/59/43/573555943.db2.gz UYSFRFLIACHJJR-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN COc1c(O)cnc2ccccc12 238438788 573555951 /nfs/dbraw/zinc/55/59/51/573555951.db2.gz SOGUONZUACCCIX-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN C[NH2+][C@@H](C[C@@H](C)C(=O)[O-])C1CCC1 259505026 573555967 /nfs/dbraw/zinc/55/59/67/573555967.db2.gz SISOJNZWDSKDED-APPZFPTMSA-N 0 0 185.267 1.485 10 0 ADAERN CCCC[C@H](C)N=c1nc[nH]n1C 393535198 573555978 /nfs/dbraw/zinc/55/59/78/573555978.db2.gz BKFAOBXIAAARRE-QMMMGPOBSA-N 0 0 182.271 1.228 10 0 ADAERN C[NH2+][C@H](c1ccc[nH]1)[C@H](C)CC(=O)[O-] 259504786 573556004 /nfs/dbraw/zinc/55/60/04/573556004.db2.gz SGMGOXDQRCRLCV-XCBNKYQSSA-N 0 0 196.250 1.386 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(O)ccc2S1 258059571 573556005 /nfs/dbraw/zinc/55/60/05/573556005.db2.gz LRQXYXTYCHKFFI-JTQLQIEISA-N 0 0 194.255 1.998 10 0 ADAERN C=C=C(CO)CCC 223157269 573556008 /nfs/dbraw/zinc/55/60/08/573556008.db2.gz BQCCYSGNJUTAGA-UHFFFAOYSA-N 0 0 112.172 1.490 10 0 ADAERN Nc1c[nH]nc1-c1cccc(O)c1 257826482 573556010 /nfs/dbraw/zinc/55/60/10/573556010.db2.gz HNXGLVMROGNHHV-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN C[C@@H](O)c1ccc(CON)cc1 258060374 573556011 /nfs/dbraw/zinc/55/60/11/573556011.db2.gz SOCVDIORMPMAAI-SSDOTTSWSA-N 0 0 167.208 1.130 10 0 ADAERN C[C@@]12CCC[C@@](CO)(C1)C2=O 238439134 573556012 /nfs/dbraw/zinc/55/60/12/573556012.db2.gz ZPNCCWPJNSKAKL-BDAKNGLRSA-N 0 0 154.209 1.128 10 0 ADAERN CSc1nc(N)nc2scnc12 238438740 573556024 /nfs/dbraw/zinc/55/60/24/573556024.db2.gz HBUVRKLINDYQKT-UHFFFAOYSA-N 0 0 198.276 1.390 10 0 ADAERN CC[NH2+]Cc1cccc(C=O)n1 238264766 573556028 /nfs/dbraw/zinc/55/60/28/573556028.db2.gz PODCHUZSQFKYTK-UHFFFAOYSA-N 0 0 164.208 1.004 10 0 ADAERN CC[C@@H](O)CCCC(=O)OC 197041299 573556035 /nfs/dbraw/zinc/55/60/35/573556035.db2.gz QCGCUWLNEATFIL-SSDOTTSWSA-N 0 0 160.213 1.101 10 0 ADAERN CC(=O)c1n[nH]nc1C(F)(F)F 75395323 573556042 /nfs/dbraw/zinc/55/60/42/573556042.db2.gz ORYFXTKSHZNCTF-UHFFFAOYSA-N 0 0 179.101 1.026 10 0 ADAERN COc1cc(N2CC(C)C2)ccc1N 86662912 573556057 /nfs/dbraw/zinc/55/60/57/573556057.db2.gz NCVKYAYPDAJNOA-UHFFFAOYSA-N 0 0 192.262 1.734 10 0 ADAERN C[C@H]1CCN1c1ccccc1N 86662883 573556065 /nfs/dbraw/zinc/55/60/65/573556065.db2.gz XSUIUYZESRZNJN-QMMMGPOBSA-N 0 0 162.236 1.867 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H](c1cc[nH]c1)[NH+](C)C 259506113 573556069 /nfs/dbraw/zinc/55/60/69/573556069.db2.gz LZYJMOHRUCNWES-VXNVDRBHSA-N 0 0 196.250 1.338 10 0 ADAERN C[C@H]1CNC(=O)C2(CCCC2)C1 238439030 573556087 /nfs/dbraw/zinc/55/60/87/573556087.db2.gz NIKDACVGZYWAIC-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@@H](O)c1cccc2c1OCOC2 258060275 573556090 /nfs/dbraw/zinc/55/60/90/573556090.db2.gz SLZILYCZYRAHPI-SSDOTTSWSA-N 0 0 180.203 1.606 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1COC[C@@H]1C 687961099 573556104 /nfs/dbraw/zinc/55/61/04/573556104.db2.gz ANYCSIOVLLUZFY-GZMMTYOYSA-N 0 0 194.278 1.683 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@H](O)[C@H](C)O2 223123378 573556123 /nfs/dbraw/zinc/55/61/23/573556123.db2.gz MANUFCKHISFSEA-XVKPBYJWSA-N 0 0 192.214 1.320 10 0 ADAERN Cc1cc2[nH][nH]cc-2n1 257830014 573556125 /nfs/dbraw/zinc/55/61/25/573556125.db2.gz JBIQJDCFFOLUKG-UHFFFAOYSA-N 0 0 121.143 1.199 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](C[NH+]2CCC2)C1 257826503 573556140 /nfs/dbraw/zinc/55/61/40/573556140.db2.gz HONWLXAZWYFYLT-IUCAKERBSA-N 0 0 183.251 1.193 10 0 ADAERN COc1ccc([C@H](C)CO)cc1O 257830045 573556165 /nfs/dbraw/zinc/55/61/65/573556165.db2.gz JDRFOMHRTJDNHN-SSDOTTSWSA-N 0 0 182.219 1.497 10 0 ADAERN Cc1c(N)ccc2c1CCO2 75396880 573556171 /nfs/dbraw/zinc/55/61/71/573556171.db2.gz YEVAAXDPIBKLKS-UHFFFAOYSA-N 0 0 149.193 1.512 10 0 ADAERN OCC[C@@H]1CCc2cc(F)ccc2N1 257830145 573556186 /nfs/dbraw/zinc/55/61/86/573556186.db2.gz IXMNSBFGUDVKCH-JTQLQIEISA-N 0 0 195.237 1.935 10 0 ADAERN Cc1ccc(C=O)c2c1OCCO2 257830165 573556192 /nfs/dbraw/zinc/55/61/92/573556192.db2.gz JCWZAXMEMPBHSZ-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN CCc1nnc(-c2csc(C)n2)[nH]1 83575529 573556194 /nfs/dbraw/zinc/55/61/94/573556194.db2.gz CRMACXFBUQKGTJ-UHFFFAOYSA-N 0 0 194.263 1.799 10 0 ADAERN C[C@]12C[C@@]1(CO)Cc1ccccc12 238438718 573556205 /nfs/dbraw/zinc/55/62/05/573556205.db2.gz PRKRAOCBDHLPPV-VXGBXAGGSA-N 0 0 174.243 1.883 10 0 ADAERN Nc1ccccc1[C@@H](O)[C@H]1CCCO1 257830156 573556207 /nfs/dbraw/zinc/55/62/07/573556207.db2.gz IXPXQKYDDHVKRW-GHMZBOCLSA-N 0 0 193.246 1.481 10 0 ADAERN COc1cc(N2CC[C@H]2C)ccc1N 86662913 573556222 /nfs/dbraw/zinc/55/62/22/573556222.db2.gz HRRVHSWBNPEORK-MRVPVSSYSA-N 0 0 192.262 1.876 10 0 ADAERN CC(C)CC[NH2+]CC[C@@H](C)C(=O)[O-] 258771255 573556224 /nfs/dbraw/zinc/55/62/24/573556224.db2.gz YUFYNKJQJVIIJU-SECBINFHSA-N 0 0 187.283 1.733 10 0 ADAERN O[C@@H]1C=Cc2cscc2C1 197045852 573556254 /nfs/dbraw/zinc/55/62/54/573556254.db2.gz JFRIKDMWRZXKET-MRVPVSSYSA-N 0 0 152.218 1.678 10 0 ADAERN Cn1ccc([C@H](O)c2cccs2)n1 83572476 573556258 /nfs/dbraw/zinc/55/62/58/573556258.db2.gz DAGWPRXWPBDLHE-VIFPVBQESA-N 0 0 194.259 1.563 10 0 ADAERN O[C@H]1C=Cc2cscc2C1 197045842 573556261 /nfs/dbraw/zinc/55/62/61/573556261.db2.gz JFRIKDMWRZXKET-QMMMGPOBSA-N 0 0 152.218 1.678 10 0 ADAERN Cc1ccc([C@H](NN)N(C)C)cc1 259112320 573556269 /nfs/dbraw/zinc/55/62/69/573556269.db2.gz IBHOBHXLUSOPMG-SNVBAGLBSA-N 0 0 179.267 1.019 10 0 ADAERN COc1cccc([C@@H](CO)OC)c1 257826458 573556272 /nfs/dbraw/zinc/55/62/72/573556272.db2.gz HMRYKQJNRWYWHG-SNVBAGLBSA-N 0 0 182.219 1.375 10 0 ADAERN Cc1cc2ccccn2c1CCO 259508217 573556282 /nfs/dbraw/zinc/55/62/82/573556282.db2.gz OPVOSLNMDRLXEF-UHFFFAOYSA-N 0 0 175.231 1.783 10 0 ADAERN C[C@H]1CC=C([C@](C)(O)CO)CC1 238439190 573556287 /nfs/dbraw/zinc/55/62/87/573556287.db2.gz CFOYGOBXDWKNRI-WCBMZHEXSA-N 0 0 170.252 1.476 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2c(O)cccc2N1 258063371 573556305 /nfs/dbraw/zinc/55/63/05/573556305.db2.gz GJCYAVFVIFFOMA-SFYZADRCSA-N 0 0 193.246 1.500 10 0 ADAERN CCn1[nH]c(=O)c2c1CSCC2 257830212 573556322 /nfs/dbraw/zinc/55/63/22/573556322.db2.gz JDXJSRVMKPEDRM-UHFFFAOYSA-N 0 0 184.264 1.398 10 0 ADAERN Cn1cc2c(c1)C(=O)CC2 107396140 573556339 /nfs/dbraw/zinc/55/63/39/573556339.db2.gz SFYRHZVHZAVODQ-UHFFFAOYSA-N 0 0 135.166 1.154 10 0 ADAERN Nc1ccccc1[C@H](O)[C@H]1CCCO1 257830158 573556366 /nfs/dbraw/zinc/55/63/66/573556366.db2.gz IXPXQKYDDHVKRW-MNOVXSKESA-N 0 0 193.246 1.481 10 0 ADAERN c1ccc(-c2ccon2)nc1 78635560 573556369 /nfs/dbraw/zinc/55/63/69/573556369.db2.gz NVPFDGXNZDLBDX-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN COC(=O)[C@]1(C(F)(F)F)C[C@@H]1C 259511623 573567591 /nfs/dbraw/zinc/56/75/91/573567591.db2.gz CBAYLUGGBIULSQ-NJGYIYPDSA-N 0 0 182.141 1.748 10 0 ADAERN C[NH2+][C@@](C)(CC(=O)[O-])CC(C)C 83611353 573567594 /nfs/dbraw/zinc/56/75/94/573567594.db2.gz PNNDKOVSKGERCZ-SECBINFHSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H]1c2ccccc2O[C@@H]1C(N)=O 238432865 573567603 /nfs/dbraw/zinc/56/76/03/573567603.db2.gz KWWBEFAJLOIWNZ-RCOVLWMOSA-N 0 0 177.203 1.036 10 0 ADAERN CC1=Nc2ccccc2S(=O)(=O)C1 145244840 573567625 /nfs/dbraw/zinc/56/76/25/573567625.db2.gz WBDJXDWPQZEKKX-UHFFFAOYSA-N 0 0 195.243 1.747 10 0 ADAERN CC[C@@H]1CC[C@H](C)[N@@H+]1[C@@H](C)C(=O)[O-] 124642726 573567635 /nfs/dbraw/zinc/56/76/35/573567635.db2.gz KFQBKJHTWWEWKO-XHNCKOQMSA-N 0 0 185.267 1.722 10 0 ADAERN Nc1cccc([C@@H](O)[C@H]2CCOC2)c1 236355075 573567642 /nfs/dbraw/zinc/56/76/42/573567642.db2.gz MWQSTEHEFJZHMD-GXSJLCMTSA-N 0 0 193.246 1.339 10 0 ADAERN CC[C@H](O)[C@@H](O)/C=C/c1ccccc1 308623836 573567658 /nfs/dbraw/zinc/56/76/58/573567658.db2.gz IMJQKUONEUOYEO-OMJLJAAMSA-N 0 0 192.258 1.832 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CC[C@@H](C)C1 83611314 573567664 /nfs/dbraw/zinc/56/76/64/573567664.db2.gz HNABICBEUMHFJC-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@H](O)C1(O)CCCCCC1 145215893 573567670 /nfs/dbraw/zinc/56/76/70/573567670.db2.gz LBZZTCPIVQLFCU-MRVPVSSYSA-N 0 0 158.241 1.453 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@H](C)[C@H]1C 83611399 573567706 /nfs/dbraw/zinc/56/77/06/573567706.db2.gz NTHIMHFALYUPRV-NGZCFLSTSA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CC[C@@H](C)[C@@H](C)C1 83611321 573567725 /nfs/dbraw/zinc/56/77/25/573567725.db2.gz YHNXUUGCISVDFC-WCABBAIRSA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])C(C)(C)C 83611569 573567748 /nfs/dbraw/zinc/56/77/48/573567748.db2.gz OSAHAKAHBZUYLL-ZCFIWIBFSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+]C1(CC(=O)[O-])C[C@@H](C)C[C@H](C)C1 83611763 573567768 /nfs/dbraw/zinc/56/77/68/573567768.db2.gz QKPOIOHFAAQLGY-IUCAKERBSA-N 0 0 199.294 1.875 10 0 ADAERN Nc1ccc(N[C@@H]2CCOC2)cc1N 236353358 573567777 /nfs/dbraw/zinc/56/77/77/573567777.db2.gz DEVDVHOHPWSJSS-MRVPVSSYSA-N 0 0 193.250 1.052 10 0 ADAERN C[C@@H]1[C@@H](C(N)=O)CCC1(C)C 238432703 573567150 /nfs/dbraw/zinc/56/71/50/573567150.db2.gz KPTCZDMIOSKJFD-RQJHMYQMSA-N 0 0 155.241 1.544 10 0 ADAERN C[C@H](CO)Cc1coc(Cl)n1 238432605 573567177 /nfs/dbraw/zinc/56/71/77/573567177.db2.gz MWMUWJATRRDLKT-YFKPBYRVSA-N 0 0 175.615 1.499 10 0 ADAERN CCCC[N@H+](C)CC1(C(=O)[O-])CCC1 258778909 573567179 /nfs/dbraw/zinc/56/71/79/573567179.db2.gz ZLYDEJCJENTRGU-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN C[C@H](C[C@H]1CCCCC1=O)C(N)=O 145206546 573567182 /nfs/dbraw/zinc/56/71/82/573567182.db2.gz XBBTWWNVVODMLS-HTQZYQBOSA-N 0 0 183.251 1.257 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@H]1C 83611767 573567197 /nfs/dbraw/zinc/56/71/97/573567197.db2.gz GRCJWZNTNSDUNX-APPZFPTMSA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCC[C@H](C)C1 83611225 573567205 /nfs/dbraw/zinc/56/72/05/573567205.db2.gz CFJUUSLJBMCADX-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN ClC1(c2cccnc2)COC1 258780338 573567231 /nfs/dbraw/zinc/56/72/31/573567231.db2.gz UWHOKNOGDZJDMI-UHFFFAOYSA-N 0 0 169.611 1.546 10 0 ADAERN Nc1nn(C2CC2)c2c1CCSC2 257831441 573567235 /nfs/dbraw/zinc/56/72/35/573567235.db2.gz JKCBIDUSBHJNGH-UHFFFAOYSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1ccsc1-c1nncc(N)n1 259112976 573567790 /nfs/dbraw/zinc/56/77/90/573567790.db2.gz IDCUINZZMDGCFO-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@H](CO)N(O)Cc1ccccc1 238432826 573567272 /nfs/dbraw/zinc/56/72/72/573567272.db2.gz OEHNQXVGIZJRMJ-SECBINFHSA-N 0 0 181.235 1.259 10 0 ADAERN C/C(CO)=C(\CCO)C(C)C 224326627 573567289 /nfs/dbraw/zinc/56/72/89/573567289.db2.gz KGNXBDLRTBHOQY-HJWRWDBZSA-N 0 0 158.241 1.334 10 0 ADAERN COC(=O)[C@@]1(C(F)(F)F)C[C@H]1C 259511622 573567309 /nfs/dbraw/zinc/56/73/09/573567309.db2.gz CBAYLUGGBIULSQ-INEUFUBQSA-N 0 0 182.141 1.748 10 0 ADAERN CCCc1cnc(CCO)o1 259513772 573567319 /nfs/dbraw/zinc/56/73/19/573567319.db2.gz ZRVZINIQYBDSNS-UHFFFAOYSA-N 0 0 155.197 1.162 10 0 ADAERN Cc1cc(O)cc2c(C=O)c[nH]c12 257831530 573567330 /nfs/dbraw/zinc/56/73/30/573567330.db2.gz JRXUPIZBWYHGKH-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN CCCc1nc(C[C@@H](C)[NH3+])cc(=O)[nH]1 308633425 573567333 /nfs/dbraw/zinc/56/73/33/573567333.db2.gz ZYBLFSUSAJVKGG-SSDOTTSWSA-N 0 0 195.266 1.024 10 0 ADAERN Nc1ccc(O[C@@H]2CCOC2)cc1N 236355908 573567349 /nfs/dbraw/zinc/56/73/49/573567349.db2.gz DPICVECGNPXBAB-MRVPVSSYSA-N 0 0 194.234 1.019 10 0 ADAERN CC[C@@H](C(C)C)[C@H]([NH3+])C(=O)[O-] 107400240 573567363 /nfs/dbraw/zinc/56/73/63/573567363.db2.gz FAQQEDSIWAINNV-BQBZGAKWSA-N 0 0 159.229 1.081 10 0 ADAERN CC(=O)C[C@@H]1OCC[C@@H](C)O1 238433053 573567386 /nfs/dbraw/zinc/56/73/86/573567386.db2.gz AWXTYAGOCIVLHY-HTQZYQBOSA-N 0 0 158.197 1.117 10 0 ADAERN CC[C@H](C(C)C)[C@@H]([NH3+])C(=O)[O-] 107400246 573567410 /nfs/dbraw/zinc/56/74/10/573567410.db2.gz FAQQEDSIWAINNV-RNFRBKRXSA-N 0 0 159.229 1.081 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@@H](C)[C@H]1C 83611397 573567413 /nfs/dbraw/zinc/56/74/13/573567413.db2.gz NTHIMHFALYUPRV-KKZNHRDASA-N 0 0 199.294 1.875 10 0 ADAERN CCc1nsc(N)c1Cl 107401233 573567415 /nfs/dbraw/zinc/56/74/15/573567415.db2.gz JOYGQNUNEQHWHH-UHFFFAOYSA-N 0 0 162.645 1.941 10 0 ADAERN CC(C)C[C@@H]1[NH2+]CC[C@H]1C(=O)[O-] 75421798 573567435 /nfs/dbraw/zinc/56/74/35/573567435.db2.gz WTQJFKXWZWGVCV-SFYZADRCSA-N 0 0 171.240 1.095 10 0 ADAERN CO[C@@H](C)CNc1cnc(C)c(C)n1 224333592 573567436 /nfs/dbraw/zinc/56/74/36/573567436.db2.gz KKIIHKNJHXIYOB-ZETCQYMHSA-N 0 0 195.266 1.540 10 0 ADAERN O=C([O-])CC[NH+]1CC2(CCCC2)C1 86683103 573567440 /nfs/dbraw/zinc/56/74/40/573567440.db2.gz ITYHJGKAIXYWIL-UHFFFAOYSA-N 0 0 183.251 1.337 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[NH+]1CC(C)C1 86682603 573567446 /nfs/dbraw/zinc/56/74/46/573567446.db2.gz JBJLZCNIAGICAX-IUCAKERBSA-N 0 0 185.267 1.437 10 0 ADAERN O=Cc1coc(C[C@H]2CCCOC2)n1 258062796 573567447 /nfs/dbraw/zinc/56/74/47/573567447.db2.gz LLPMZTXZTCCXEH-MRVPVSSYSA-N 0 0 195.218 1.456 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H]2C[C@]2(C(=O)[O-])C1 75421725 573567470 /nfs/dbraw/zinc/56/74/70/573567470.db2.gz ZSURHSHVNHGZDE-SCZZXKLOSA-N 0 0 183.251 1.191 10 0 ADAERN CCC[NH2+]C[C@H](C(=O)[O-])C(C)C 258781807 573567472 /nfs/dbraw/zinc/56/74/72/573567472.db2.gz ZVPVERMIDYGHPL-QMMMGPOBSA-N 0 0 173.256 1.343 10 0 ADAERN CCc1snc(N)c1Cl 107401230 573567476 /nfs/dbraw/zinc/56/74/76/573567476.db2.gz WVMWDOFSQHMGGS-UHFFFAOYSA-N 0 0 162.645 1.941 10 0 ADAERN Cc1nn(C)c(C)c1-c1ccno1 83618009 573567493 /nfs/dbraw/zinc/56/74/93/573567493.db2.gz CMGMXZANHICMSX-UHFFFAOYSA-N 0 0 177.207 1.692 10 0 ADAERN CCCC[N@@H+]1CCc2nc(N)oc2C1 258779468 573567796 /nfs/dbraw/zinc/56/77/96/573567796.db2.gz LUYGFDIQDDVIAU-UHFFFAOYSA-N 0 0 195.266 1.415 10 0 ADAERN O=C([O-])C[NH+]1CC(c2ccccc2)C1 86683023 573567797 /nfs/dbraw/zinc/56/77/97/573567797.db2.gz FYYRGJZUJBTWBJ-UHFFFAOYSA-N 0 0 191.230 1.170 10 0 ADAERN CCC[C@H]([NH2+]Cc1nnco1)C1CC1 308625992 573567500 /nfs/dbraw/zinc/56/75/00/573567500.db2.gz WFIZBYWBWHDXLZ-VIFPVBQESA-N 0 0 195.266 1.738 10 0 ADAERN CC(C)CCCCN1CC(=O)CC1=O 147560455 573567511 /nfs/dbraw/zinc/56/75/11/573567511.db2.gz FKXBGYOPWVBQGB-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CNC(=O)c1[nH]nc2cc(F)ccc12 585253855 573567547 /nfs/dbraw/zinc/56/75/47/573567547.db2.gz OLVUYTXGMXYXEN-UHFFFAOYSA-N 0 0 193.181 1.062 10 0 ADAERN C[C@H]1C=C2CCC(=O)N2CC1 238433035 573567551 /nfs/dbraw/zinc/56/75/51/573567551.db2.gz SDJIFHXUQBGHJH-SSDOTTSWSA-N 0 0 151.209 1.533 10 0 ADAERN c1nscc1OC1CC1 258502822 573567555 /nfs/dbraw/zinc/56/75/55/573567555.db2.gz MBXJWIDCIPNBBC-UHFFFAOYSA-N 0 0 141.195 1.684 10 0 ADAERN Oc1ccc(OCn2nccn2)cc1 59363047 573567568 /nfs/dbraw/zinc/56/75/68/573567568.db2.gz SYEKQDKDIKSREJ-UHFFFAOYSA-N 0 0 191.190 1.020 10 0 ADAERN CCNC(=O)O[C@@H]1CCCC[C@H]1O 145225911 573567586 /nfs/dbraw/zinc/56/75/86/573567586.db2.gz HYINEDHCFLJCPQ-HTQZYQBOSA-N 0 0 187.239 1.036 10 0 ADAERN CC[C@](C)(O)[C@@H](C)CCOC 145290115 573575508 /nfs/dbraw/zinc/57/55/08/573575508.db2.gz OGOQSXPGUNLNTI-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN c1ccc2c(c1)nc1n2O1 95923151 573575535 /nfs/dbraw/zinc/57/55/35/573575535.db2.gz GLSVWQZJMDWANA-UHFFFAOYSA-N 0 0 132.122 1.192 10 0 ADAERN C[C@H]1CC[C@H](O)[C@H]1C 238445108 573575564 /nfs/dbraw/zinc/57/55/64/573575564.db2.gz SILZXJUHRUTSCO-ACZMJKKPSA-N 0 0 114.188 1.413 10 0 ADAERN CN(C(=O)S)c1cc[nH]c1 258790983 573575582 /nfs/dbraw/zinc/57/55/82/573575582.db2.gz ZPEMVWKQUBZZAS-UHFFFAOYSA-N 0 0 156.210 1.501 10 0 ADAERN C[C@H](O)COC(=O)Nc1ccccc1 238444518 573575616 /nfs/dbraw/zinc/57/56/16/573575616.db2.gz LAKNZXNBZFBJPW-QMMMGPOBSA-N 0 0 195.218 1.616 10 0 ADAERN CC1(C)C[NH+]([C@@H]2C=C[C@H](C(=O)[O-])C2)C1 86687088 573574926 /nfs/dbraw/zinc/57/49/26/573574926.db2.gz UNNIQFSVNPJGPJ-DTWKUNHWSA-N 0 0 195.262 1.358 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]1[NH+]1CC2(CC2)C1 86685696 573574936 /nfs/dbraw/zinc/57/49/36/573574936.db2.gz NQRUXYMHBAXFFO-IUCAKERBSA-N 0 0 195.262 1.336 10 0 ADAERN Nc1cnn2c1NC[C@@H]1CCCC[C@H]12 236376567 573574946 /nfs/dbraw/zinc/57/49/46/573574946.db2.gz JNPPTDUEADGJJF-IONNQARKSA-N 0 0 192.266 1.622 10 0 ADAERN C[C@@H](C[C@@H]1CCCS1)ON 259513312 573574951 /nfs/dbraw/zinc/57/49/51/573574951.db2.gz RVNMSACBUZLMHA-BQBZGAKWSA-N 0 0 161.270 1.551 10 0 ADAERN CC(C)(C)C1C[NH+](C(C)(C)C(=O)[O-])C1 86684335 573574961 /nfs/dbraw/zinc/57/49/61/573574961.db2.gz LCYWCCBOEYVDAV-UHFFFAOYSA-N 0 0 199.294 1.828 10 0 ADAERN CN1CC[C@@](F)(c2cccc(O)c2)C1 257829754 573574964 /nfs/dbraw/zinc/57/49/64/573574964.db2.gz IVMLSEXECXAJMN-NSHDSACASA-N 0 0 195.237 1.893 10 0 ADAERN C[C@@H]1C(=O)[C@H](C)[C@@H]2C[C@H]12 238444971 573574972 /nfs/dbraw/zinc/57/49/72/573574972.db2.gz BVOUAVDAAXLMBW-RNGGSSJXSA-N 0 0 124.183 1.477 10 0 ADAERN CC1C[NH+](C2(C(=O)[O-])CCCC2)C1 86684378 573574976 /nfs/dbraw/zinc/57/49/76/573574976.db2.gz QEETWFWXYAFDTC-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN Cc1cn[nH]c1[Si](C)(C)C 238445097 573575004 /nfs/dbraw/zinc/57/50/04/573575004.db2.gz SHLVSVMYQOVGCL-UHFFFAOYSA-N 0 0 154.289 1.263 10 0 ADAERN COc1ccc(N)cc1N1CC[C@@H]1C 86687675 573575006 /nfs/dbraw/zinc/57/50/06/573575006.db2.gz NSZKYMMJFVMKDP-QMMMGPOBSA-N 0 0 192.262 1.876 10 0 ADAERN CCCC[C@H]1NC(=O)[C@@H]1C 211921633 573575009 /nfs/dbraw/zinc/57/50/09/573575009.db2.gz DWSDQEMPXNGBSH-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN C[NH+](C)C[C@H]1CCC[C@@H]1C(=O)[O-] 86686404 573575056 /nfs/dbraw/zinc/57/50/56/573575056.db2.gz SHONHOQQIUDYER-SFYZADRCSA-N 0 0 171.240 1.049 10 0 ADAERN CC(C)[C@H]([NH3+])CC(C)(C)C(=O)[O-] 259514872 573575060 /nfs/dbraw/zinc/57/50/60/573575060.db2.gz VLMPFZXPVPNVKG-SSDOTTSWSA-N 0 0 173.256 1.471 10 0 ADAERN COc1ccn2c(C(C)=O)ncc2c1 257832468 573575072 /nfs/dbraw/zinc/57/50/72/573575072.db2.gz JUKHTJKWNDNQDJ-UHFFFAOYSA-N 0 0 190.202 1.546 10 0 ADAERN CC[C@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683718 573575094 /nfs/dbraw/zinc/57/50/94/573575094.db2.gz CQJFRIAYAMMGQE-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CCN1c1cccc(N)c1 86687489 573575116 /nfs/dbraw/zinc/57/51/16/573575116.db2.gz JPVQRNXSXRQFNK-QMMMGPOBSA-N 0 0 162.236 1.867 10 0 ADAERN CC[C@H](C(=O)[O-])[NH+]1CC2(CCC2)C1 86683750 573575160 /nfs/dbraw/zinc/57/51/60/573575160.db2.gz OMUSYADAMIVKGI-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN O=C([O-])[C@H]1C=C[C@H]([NH+]2CC3(CC3)C2)C1 86687217 573575170 /nfs/dbraw/zinc/57/51/70/573575170.db2.gz LTHYYDWBZATUHC-IUCAKERBSA-N 0 0 193.246 1.112 10 0 ADAERN CCC1C[NH+](C[C@H](C(=O)[O-])C(C)C)C1 86685850 573575183 /nfs/dbraw/zinc/57/51/83/573575183.db2.gz YQKLPHRESWUZMB-JTQLQIEISA-N 0 0 199.294 1.685 10 0 ADAERN CC1C[NH+]([C@H]2CCC[C@@H](C(=O)[O-])C2)C1 86684858 573575209 /nfs/dbraw/zinc/57/52/09/573575209.db2.gz CJTRUAADQUSILT-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN C=C(Cl)c1ccc(C)[nH]c1=O 238445799 573575221 /nfs/dbraw/zinc/57/52/21/573575221.db2.gz TYYBCMDRLIFJGM-UHFFFAOYSA-N 0 0 169.611 1.893 10 0 ADAERN CC(=O)N(C)CCC1CCC1 258792785 573575230 /nfs/dbraw/zinc/57/52/30/573575230.db2.gz QKKMKFVPDVCLDG-UHFFFAOYSA-N 0 0 155.241 1.655 10 0 ADAERN CN1CC[C@](F)(c2cccc(O)c2)C1 257829753 573575243 /nfs/dbraw/zinc/57/52/43/573575243.db2.gz IVMLSEXECXAJMN-LLVKDONJSA-N 0 0 195.237 1.893 10 0 ADAERN Cc1ccc(CCNC(=O)S)o1 258789081 573575249 /nfs/dbraw/zinc/57/52/49/573575249.db2.gz ZMFWCXZDJXNXJD-UHFFFAOYSA-N 0 0 185.248 1.770 10 0 ADAERN C/C(=C/c1cccn1C)CO 211920827 573575263 /nfs/dbraw/zinc/57/52/63/573575263.db2.gz ZCBFWJQMFQAWEB-VURMDHGXSA-N 0 0 151.209 1.421 10 0 ADAERN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)N1 257832402 573575279 /nfs/dbraw/zinc/57/52/79/573575279.db2.gz JSFCYODCAFMQNC-UWVGGRQHSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ccc(C(C)(C)[NH3+])cc1C(=O)[O-] 238445187 573575282 /nfs/dbraw/zinc/57/52/82/573575282.db2.gz QGIKRSGDZDMVPF-UHFFFAOYSA-N 0 0 193.246 1.887 10 0 ADAERN c1nscc1O[C@H]1CCOC1 258791941 573575288 /nfs/dbraw/zinc/57/52/88/573575288.db2.gz XRIIFBHQUNKFGA-LURJTMIESA-N 0 0 171.221 1.311 10 0 ADAERN COC(=O)[C@@H]1C[C@H](C2CCCCC2)N1 257832406 573575292 /nfs/dbraw/zinc/57/52/92/573575292.db2.gz JSFCYODCAFMQNC-ZJUUUORDSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1c[nH]cc1[C@H](N)C(F)(F)F 238444554 573575299 /nfs/dbraw/zinc/57/52/99/573575299.db2.gz CUGACFXGWICWCY-LURJTMIESA-N 0 0 178.157 1.885 10 0 ADAERN COc1cc(=O)cccc1Cl 238444868 573575306 /nfs/dbraw/zinc/57/53/06/573575306.db2.gz WPPLFUMPIFEIJH-UHFFFAOYSA-N 0 0 170.595 1.709 10 0 ADAERN CN1C(=O)NC(=O)CC12CCCCC2 83632431 573575313 /nfs/dbraw/zinc/57/53/13/573575313.db2.gz WIFQSXWPPVCSOV-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN COc1c(C)ccc2c1C(=O)NC2 238444957 573575405 /nfs/dbraw/zinc/57/54/05/573575405.db2.gz OAEVMYWHYMFFRO-UHFFFAOYSA-N 0 0 177.203 1.247 10 0 ADAERN CN[C@@H]([C@H]1CCOC1)C(F)(F)F 78678410 573575438 /nfs/dbraw/zinc/57/54/38/573575438.db2.gz PMFPKIDGVWURGY-WDSKDSINSA-N 0 0 183.173 1.173 10 0 ADAERN Cc1ccc2c(c1)[C@H](C)[C@@H](O)CN2 238444950 573575454 /nfs/dbraw/zinc/57/54/54/573575454.db2.gz VDJKYSGJSKJBFE-KWQFWETISA-N 0 0 177.247 1.885 10 0 ADAERN CC[C@@](C)(O)[C@H](C)CCOC 145290685 573575465 /nfs/dbraw/zinc/57/54/65/573575465.db2.gz OGOQSXPGUNLNTI-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN COC1(C2CCCC2)COC1 258789363 573575466 /nfs/dbraw/zinc/57/54/66/573575466.db2.gz VKZNJBDLDLEJCS-UHFFFAOYSA-N 0 0 156.225 1.592 10 0 ADAERN Cc1cc(CNN)sc1C 83631285 573575478 /nfs/dbraw/zinc/57/54/78/573575478.db2.gz AHWKXOGHPCIOEE-UHFFFAOYSA-N 0 0 156.254 1.328 10 0 ADAERN COc1ccc2ncn([C@@H](C)[NH3+])c2c1 145268673 573575495 /nfs/dbraw/zinc/57/54/95/573575495.db2.gz YEJAHRYZNKWUEK-ZETCQYMHSA-N 0 0 191.234 1.522 10 0 ADAERN COC(=O)c1nc(C)c(C(C)C)[nH]1 258794923 573575501 /nfs/dbraw/zinc/57/55/01/573575501.db2.gz WDHSHKYSFSJPNE-UHFFFAOYSA-N 0 0 182.223 1.628 10 0 ADAERN C[C@@H](O)[C@@]1(O)CCc2ccccc21 238443011 573589268 /nfs/dbraw/zinc/58/92/68/573589268.db2.gz CEOXJQMQVJOIBH-KCJUWKMLSA-N 0 0 178.231 1.201 10 0 ADAERN Cn1ncc2c(N)ccc(F)c21 259519062 573589285 /nfs/dbraw/zinc/58/92/85/573589285.db2.gz QESVWVWBYODXGO-UHFFFAOYSA-N 0 0 165.171 1.295 10 0 ADAERN CCCn1cc([C@@](C)(F)[C@H](C)[NH3+])cn1 308640930 573589302 /nfs/dbraw/zinc/58/93/02/573589302.db2.gz CZRKITFKDHZXCB-WPRPVWTQSA-N 0 0 199.273 1.825 10 0 ADAERN C[NH2+][C@@H](/C=C/C(=O)[O-])C1CCCC1 259518559 573589356 /nfs/dbraw/zinc/58/93/56/573589356.db2.gz TZZQCIWWOUGIKC-UCUJLANTSA-N 0 0 183.251 1.405 10 0 ADAERN C[C@@]12CCC[C@]1(CO)CC2=O 238443051 573589399 /nfs/dbraw/zinc/58/93/99/573589399.db2.gz SHLQTSVQJZIGMZ-DTWKUNHWSA-N 0 0 154.209 1.128 10 0 ADAERN O[C@H](c1ccncc1)[C@H]1CCCOC1 224957000 573588746 /nfs/dbraw/zinc/58/87/46/573588746.db2.gz ZGUCJHVIVUEOGJ-WDEREUQCSA-N 0 0 193.246 1.542 10 0 ADAERN CSc1c(C=O)c[nH]c1C 75484042 573588788 /nfs/dbraw/zinc/58/87/88/573588788.db2.gz PDIIQHUWEBCZGQ-UHFFFAOYSA-N 0 0 155.222 1.858 10 0 ADAERN CCCC[N@H+](C)[C@H]1C[C@H]1C(=O)[O-] 259117000 573588789 /nfs/dbraw/zinc/58/87/89/573588789.db2.gz BMNFRFNJROFNOX-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)C(F)(F)C[C@@H]1CCCO1 257833592 573588794 /nfs/dbraw/zinc/58/87/94/573588794.db2.gz KIIHXITYOWMSEO-ZETCQYMHSA-N 0 0 178.178 1.780 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)[C@H](C)C2 86722075 573588808 /nfs/dbraw/zinc/58/88/08/573588808.db2.gz NXYUYZLJPPVJRY-HQJQHLMTSA-N 0 0 178.231 1.921 10 0 ADAERN C[C@]1(C2CCCC2)CCNC(=O)N1 257833651 573588822 /nfs/dbraw/zinc/58/88/22/573588822.db2.gz KLJCVPZUBKNQAB-SNVBAGLBSA-N 0 0 182.267 1.638 10 0 ADAERN CCc1nn(CC)c(OC)c1CCO 258063545 573588828 /nfs/dbraw/zinc/58/88/28/573588828.db2.gz VJGKZLDGKIKSFF-UHFFFAOYSA-N 0 0 198.266 1.009 10 0 ADAERN C[C@@H]1[C@@H](NC(N)=O)C[C@@H]2C[C@H]1C2(C)C 238443195 573588850 /nfs/dbraw/zinc/58/88/50/573588850.db2.gz NGKIEQQIXBFTHF-MAUMQABQSA-N 0 0 196.294 1.725 10 0 ADAERN C[C@@H]1CC[C@@H](CNC(N)=O)C1(C)C 238443085 573588858 /nfs/dbraw/zinc/58/88/58/573588858.db2.gz DCBGTQCATODTAJ-SFYZADRCSA-N 0 0 184.283 1.727 10 0 ADAERN COCCOC(=O)[C@H]1C=CCCC1 308404983 573588861 /nfs/dbraw/zinc/58/88/61/573588861.db2.gz JDPAKRGFOQLXAI-VIFPVBQESA-N 0 0 184.235 1.532 10 0 ADAERN C[C@@H]1C(=O)C[C@H](C(C)(C)O)[C@@H]1C 238454926 573588866 /nfs/dbraw/zinc/58/88/66/573588866.db2.gz DPOANIZMQOXQMY-CSMHCCOUSA-N 0 0 170.252 1.619 10 0 ADAERN CC[C@]1(NCC(F)(F)F)CCOC1 308404517 573588905 /nfs/dbraw/zinc/58/89/05/573588905.db2.gz IWBWRMREQLLLKS-ZETCQYMHSA-N 0 0 197.200 1.707 10 0 ADAERN [NH3+]C1(C(=O)[O-])C[C@H]2CCCC[C@@H]2C1 107415740 573588977 /nfs/dbraw/zinc/58/89/77/573588977.db2.gz OVDPRTRQRNDWFQ-HTQZYQBOSA-N 0 0 183.251 1.369 10 0 ADAERN C/C=C\C(=O)N(C)C1CC(OC)C1 308404608 573588982 /nfs/dbraw/zinc/58/89/82/573588982.db2.gz JAHWBQIOWMWKEZ-PLNGDYQASA-N 0 0 183.251 1.198 10 0 ADAERN CN(CC(C)(C)CO)c1ccc[nH]1 258813206 573589003 /nfs/dbraw/zinc/58/90/03/573589003.db2.gz KWDYHYOAFLKVBS-UHFFFAOYSA-N 0 0 182.267 1.469 10 0 ADAERN C[C@H]1CC[C@H](C)C1(C[NH3+])CC(=O)[O-] 107417621 573589017 /nfs/dbraw/zinc/58/90/17/573589017.db2.gz VVJFYFLGWOCDQD-YUMQZZPRSA-N 0 0 185.267 1.472 10 0 ADAERN C[C@@H]1CC[C@@H](CO)CC[C@@H]1O 238443188 573589041 /nfs/dbraw/zinc/58/90/41/573589041.db2.gz MCMLFJFFSKKHFJ-HLTSFMKQSA-N 0 0 158.241 1.166 10 0 ADAERN CC(=O)O[C@@H]1C=CC[C@H](O)C=CC1 393539119 573589044 /nfs/dbraw/zinc/58/90/44/573589044.db2.gz PPUVEZOPXMDEAP-ZJUUUORDSA-N 0 0 182.219 1.185 10 0 ADAERN C[C@H](O)CP(C)c1ccccc1 238445750 573589072 /nfs/dbraw/zinc/58/90/72/573589072.db2.gz MQOSWHWYBRYTJZ-QHGLUPRGSA-N 0 0 182.203 1.804 10 0 ADAERN C[C@H]1COc2c(CON)cccc21 258063997 573589110 /nfs/dbraw/zinc/58/91/10/573589110.db2.gz LZALGLIFWZAADR-ZETCQYMHSA-N 0 0 179.219 1.573 10 0 ADAERN O[C@H](c1ccccn1)[C@@H]1CCCOC1 224958025 573589140 /nfs/dbraw/zinc/58/91/40/573589140.db2.gz SXKPBPMXINHQQL-KOLCDFICSA-N 0 0 193.246 1.542 10 0 ADAERN O[C@@H](c1ccccn1)[C@@H]1CCCOC1 224957981 573589151 /nfs/dbraw/zinc/58/91/51/573589151.db2.gz SXKPBPMXINHQQL-MWLCHTKSSA-N 0 0 193.246 1.542 10 0 ADAERN COc1cnn(-c2cccc(O)c2)c1 258788585 573589169 /nfs/dbraw/zinc/58/91/69/573589169.db2.gz XMEUJLWBISLCKP-UHFFFAOYSA-N 0 0 190.202 1.587 10 0 ADAERN Cc1ccc(N[C@H]2C[C@@H](O)C2)nc1 144473684 573589213 /nfs/dbraw/zinc/58/92/13/573589213.db2.gz LVHHYOYJIQIZLI-KYZUINATSA-N 0 0 178.235 1.325 10 0 ADAERN C[C@]1(CO)Cc2cccc(F)c2N1 258063471 573589214 /nfs/dbraw/zinc/58/92/14/573589214.db2.gz GLCHJEZKZZIOJY-SNVBAGLBSA-N 0 0 181.210 1.545 10 0 ADAERN Cc1cnc([C@@H](O)CCCCF)nc1 308631484 573589252 /nfs/dbraw/zinc/58/92/52/573589252.db2.gz ZCLWSJKDYVOLEH-VIFPVBQESA-N 0 0 198.241 1.958 10 0 ADAERN CC(C)c1ncnc2c1c(N)cn2C 75524638 573593502 /nfs/dbraw/zinc/59/35/02/573593502.db2.gz IDURIECKEYDKCV-UHFFFAOYSA-N 0 0 190.250 1.674 10 0 ADAERN Cc1ccc([C@@H]2NCC(C)(C)O2)o1 258813017 573593505 /nfs/dbraw/zinc/59/35/05/573593505.db2.gz YKTYPRWYLPUYPM-SECBINFHSA-N 0 0 181.235 1.985 10 0 ADAERN C[C@]1(CO)COCc2ccccc21 238455218 573593558 /nfs/dbraw/zinc/59/35/58/573593558.db2.gz CSVSCJRENSZRFI-NSHDSACASA-N 0 0 178.231 1.467 10 0 ADAERN Cc1nn(C)c2ncc(Cl)cc12 84229817 573593568 /nfs/dbraw/zinc/59/35/68/573593568.db2.gz FAUTZQAIWJCLOC-UHFFFAOYSA-N 0 0 181.626 1.930 10 0 ADAERN C/C=C/CN(C)[C@H](CC)C(=O)OC 308405381 573593573 /nfs/dbraw/zinc/59/35/73/573593573.db2.gz JJGBMHLLVSSYJH-VPIOIWJLSA-N 0 0 185.267 1.446 10 0 ADAERN C[C@]1(CO)Cc2ccccc2N1N=O 238455775 573592832 /nfs/dbraw/zinc/59/28/32/573592832.db2.gz ZOKAGKSZVDKDJD-SNVBAGLBSA-N 0 0 192.218 1.482 10 0 ADAERN COc1ccc2cnn(C)c2c1OC 257833778 573592862 /nfs/dbraw/zinc/59/28/62/573592862.db2.gz KEJKGMXABMBTCT-UHFFFAOYSA-N 0 0 192.218 1.591 10 0 ADAERN C[C@@H]1C[C@H](O)N(C)C(=S)S1 238455116 573592866 /nfs/dbraw/zinc/59/28/66/573592866.db2.gz UGGAMHHTGRCJEV-UHNVWZDZSA-N 0 0 177.294 1.047 10 0 ADAERN Cc1cc(N)nc(C(F)F)c1 238455034 573592902 /nfs/dbraw/zinc/59/29/02/573592902.db2.gz BXBIMYXNQQXENF-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CN1CCc2cccc(C(C)(C)O)c21 257833938 573592910 /nfs/dbraw/zinc/59/29/10/573592910.db2.gz ADNXRJPHPDNOAX-UHFFFAOYSA-N 0 0 191.274 1.906 10 0 ADAERN CC(=O)c1cc(C[C@H]2CCCO2)n[nH]1 259135419 573592911 /nfs/dbraw/zinc/59/29/11/573592911.db2.gz GXXOBZODFXZMBL-SECBINFHSA-N 0 0 194.234 1.334 10 0 ADAERN C[C@@H]1C[NH2+][C@H](C2CC2)[C@@H](C(=O)[O-])C1 238456112 573592935 /nfs/dbraw/zinc/59/29/35/573592935.db2.gz OVWWWSUYTFWYDC-CNUIFLNQSA-N 0 0 183.251 1.095 10 0 ADAERN CO[C@H]1Cc2cc(O)ccc21 257832744 573592981 /nfs/dbraw/zinc/59/29/81/573592981.db2.gz AEOLEPUADOVKNZ-VIFPVBQESA-N 0 0 150.177 1.636 10 0 ADAERN CCC(=O)[C@H](C)CCC(C)=O 78505927 573593001 /nfs/dbraw/zinc/59/30/01/573593001.db2.gz PVCMUUYPBICCCW-SSDOTTSWSA-N 0 0 156.225 1.971 10 0 ADAERN Cc1c(O)cccc1OC[C@@H](C)O 83677200 573593023 /nfs/dbraw/zinc/59/30/23/573593023.db2.gz TYUYZOUZGMOWKR-SSDOTTSWSA-N 0 0 182.219 1.460 10 0 ADAERN Cc1cc(CC(=O)NCC(C)C)c[nH]1 169999014 573593036 /nfs/dbraw/zinc/59/30/36/573593036.db2.gz UBXMWWJOIFGNKE-UHFFFAOYSA-N 0 0 194.278 1.638 10 0 ADAERN CCC(=O)C[C@@H]1CCCCO1 125359164 573593061 /nfs/dbraw/zinc/59/30/61/573593061.db2.gz FUCKVCDYVWRPGH-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN CC(C)C(=O)Nc1cccn1C 60100071 573593071 /nfs/dbraw/zinc/59/30/71/573593071.db2.gz WRAFIFDKEIXZOA-UHFFFAOYSA-N 0 0 166.224 1.620 10 0 ADAERN CC(=O)c1nn(C)c2cc(F)ccc12 107423123 573593084 /nfs/dbraw/zinc/59/30/84/573593084.db2.gz ZZRQPQKDGXTVAM-UHFFFAOYSA-N 0 0 192.193 1.915 10 0 ADAERN CC(=O)c1cc(N)c(F)cc1C 224379426 573593096 /nfs/dbraw/zinc/59/30/96/573593096.db2.gz INUUXMOWCYSFBI-UHFFFAOYSA-N 0 0 167.183 1.919 10 0 ADAERN CCCOCC[C@H](C)[C@@H](C)O 233232495 573593115 /nfs/dbraw/zinc/59/31/15/573593115.db2.gz KXEXTMBXZDZCOO-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CCON(C)[S@](=N)(=O)C(C)(C)C 404861667 573593119 /nfs/dbraw/zinc/59/31/19/573593119.db2.gz WSNCNOVPQDVCBT-LBPRGKRZSA-N 0 0 194.300 1.630 10 0 ADAERN CC(C)C[C@@H]([NH3+])c1nc(C(=O)[O-])co1 214381268 573593140 /nfs/dbraw/zinc/59/31/40/573593140.db2.gz DETKEJKDMSWYAS-ZCFIWIBFSA-N 0 0 198.222 1.419 10 0 ADAERN C[C@H]1CCC[C@]2(CC(=O)N(C)C2=O)C1 238455762 573593141 /nfs/dbraw/zinc/59/31/41/573593141.db2.gz RRHFPHFRHGZSRL-GZMMTYOYSA-N 0 0 195.262 1.572 10 0 ADAERN Cc1cc(O)ccc1-n1cncn1 83696256 573593142 /nfs/dbraw/zinc/59/31/42/573593142.db2.gz NNPJAABMEBGHSS-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN CC(=O)c1cnc(C)n1-c1ccon1 75517793 573593160 /nfs/dbraw/zinc/59/31/60/573593160.db2.gz WTANLLFQMGOMTH-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN COc1nc2c(cc1C(C)=O)CCC2 257833801 573593185 /nfs/dbraw/zinc/59/31/85/573593185.db2.gz KFDWGCIQSNICFF-UHFFFAOYSA-N 0 0 191.230 1.782 10 0 ADAERN C=C(OCC)C(=O)NCCC 78926278 573593224 /nfs/dbraw/zinc/59/32/24/573593224.db2.gz TYVIQYJTLPYJME-UHFFFAOYSA-N 0 0 157.213 1.063 10 0 ADAERN CCCc1ccc([C@@H]([NH3+])CC(=O)[O-])o1 308405621 573593260 /nfs/dbraw/zinc/59/32/60/573593260.db2.gz NOMSPLWKKVFPPI-QMMMGPOBSA-N 0 0 197.234 1.707 10 0 ADAERN C[C@H]1CCc2c(cccc2C(N)=O)N1 238455215 573593332 /nfs/dbraw/zinc/59/33/32/573593332.db2.gz FTXGBSKZUNJADS-ZETCQYMHSA-N 0 0 190.246 1.532 10 0 ADAERN CO[C@@H]1Cc2cc(O)ccc21 257832740 573593359 /nfs/dbraw/zinc/59/33/59/573593359.db2.gz AEOLEPUADOVKNZ-SECBINFHSA-N 0 0 150.177 1.636 10 0 ADAERN OC[C@@H]1Cc2cc(Cl)ccc21 257832790 573593372 /nfs/dbraw/zinc/59/33/72/573593372.db2.gz AFKXWXDQTPHKNZ-ZETCQYMHSA-N 0 0 168.623 1.972 10 0 ADAERN C=CC(=C)[Si](C)(C)CCO 238455858 573593380 /nfs/dbraw/zinc/59/33/80/573593380.db2.gz XZQPCTDEJPKRFB-UHFFFAOYSA-N 0 0 156.301 1.969 10 0 ADAERN CC(C)Cn1ccc(N)cc1=O 257832732 573593389 /nfs/dbraw/zinc/59/33/89/573593389.db2.gz AEFQYWVVNBDHLK-UHFFFAOYSA-N 0 0 166.224 1.087 10 0 ADAERN C/C=C\S(=O)(=O)c1ccc(N)cc1 166478328 573593403 /nfs/dbraw/zinc/59/34/03/573593403.db2.gz OJTNXVJBWLWSNK-UQCOIBPSSA-N 0 0 197.259 1.576 10 0 ADAERN C[C@]1(CO)C[C@@H]2C[C@@H]2C1 238455542 573593407 /nfs/dbraw/zinc/59/34/07/573593407.db2.gz HLWSXPYOJYJETE-RNLVFQAGSA-N 0 0 126.199 1.415 10 0 ADAERN Cc1c(C(F)F)cnc(F)c1CO 238456386 573593414 /nfs/dbraw/zinc/59/34/14/573593414.db2.gz LYFHLYVXNSXKQT-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CCc1c(N)noc1C 78724868 573593437 /nfs/dbraw/zinc/59/34/37/573593437.db2.gz WQQYOZLMXIHKRP-UHFFFAOYSA-N 0 0 126.159 1.128 10 0 ADAERN COC(=O)C1(CC(C)(C)C)COC1 259134804 573593447 /nfs/dbraw/zinc/59/34/47/573593447.db2.gz MUKBNDNNOFOOHT-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN C[C@@]1(C(=O)NC(N)=S)CC=CCC1 238455223 573593449 /nfs/dbraw/zinc/59/34/49/573593449.db2.gz SORJGXGAHNDEOY-SECBINFHSA-N 0 0 198.291 1.093 10 0 ADAERN CCC[C@@H](C(=O)OC1CC1)N(C)C 308405802 573593472 /nfs/dbraw/zinc/59/34/72/573593472.db2.gz JPBWBTJLHKTLDA-VIFPVBQESA-N 0 0 185.267 1.422 10 0 ADAERN NC(=S)N1CCC[C@H]2CCC[C@H]21 83700227 573597400 /nfs/dbraw/zinc/59/74/00/573597400.db2.gz OIIRUXLYODMTSB-HTQZYQBOSA-N 0 0 184.308 1.495 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H]1CCCO1 83711805 573597410 /nfs/dbraw/zinc/59/74/10/573597410.db2.gz WBPSCVHUDMDBGX-SFYZADRCSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@@H](Cc1ccsc1)[C@@H]1CCCO1 83711547 573597445 /nfs/dbraw/zinc/59/74/45/573597445.db2.gz QGAQZIGBTBLIOZ-UWVGGRQHSA-N 0 0 198.287 1.831 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H]2CCCO2)cn1 83711675 573597465 /nfs/dbraw/zinc/59/74/65/573597465.db2.gz GPIQEEMVXFDWRF-WDEREUQCSA-N 0 0 193.246 1.602 10 0 ADAERN O[C@@H](Cc1ccccc1)[C@@H]1CCCO1 83711263 573597469 /nfs/dbraw/zinc/59/74/69/573597469.db2.gz VTTAHPKMGUFXGS-RYUDHWBXSA-N 0 0 192.258 1.769 10 0 ADAERN C[C@]1([C@@H]2CCSC2)CCC(=O)N1 257835692 573597474 /nfs/dbraw/zinc/59/74/74/573597474.db2.gz KXFZEDWWCQGABM-VXNVDRBHSA-N 0 0 185.292 1.408 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CCCO1 83711803 573597476 /nfs/dbraw/zinc/59/74/76/573597476.db2.gz WBPSCVHUDMDBGX-HTQZYQBOSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)(O)[C@@H]1CCc2cccnc21 86734794 573597525 /nfs/dbraw/zinc/59/75/25/573597525.db2.gz MDWFEFTWYPLKAB-SECBINFHSA-N 0 0 177.247 1.882 10 0 ADAERN C[C@@]1([C@@H]2CCSC2)CCC(=O)N1 257835689 573597543 /nfs/dbraw/zinc/59/75/43/573597543.db2.gz KXFZEDWWCQGABM-APPZFPTMSA-N 0 0 185.292 1.408 10 0 ADAERN O=C(c1cccnc1)[C@@H]1CCCO1 83710766 573596946 /nfs/dbraw/zinc/59/69/46/573596946.db2.gz APISUDCHXGVRQK-VIFPVBQESA-N 0 0 177.203 1.443 10 0 ADAERN O=C(C1CCCC1)[C@H]1CCCO1 83710866 573596968 /nfs/dbraw/zinc/59/69/68/573596968.db2.gz YUDHBIGXOFKQIB-SECBINFHSA-N 0 0 168.236 1.925 10 0 ADAERN NC(=S)N1CCC[C@@H]2CCC[C@@H]21 83700236 573596980 /nfs/dbraw/zinc/59/69/80/573596980.db2.gz OIIRUXLYODMTSB-YUMQZZPRSA-N 0 0 184.308 1.495 10 0 ADAERN O[C@H](CC1CC1)[C@H]1CCCO1 83711890 573596990 /nfs/dbraw/zinc/59/69/90/573596990.db2.gz VCKSSVSQZXIEAZ-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN Cc1ccc(C)c(ON)c1 75525594 573596999 /nfs/dbraw/zinc/59/69/99/573596999.db2.gz CMRFSJPFONAEPC-UHFFFAOYSA-N 0 0 137.182 1.556 10 0 ADAERN NC(=S)N1CCC[C@H]2CCC[C@@H]21 83700234 573597045 /nfs/dbraw/zinc/59/70/45/573597045.db2.gz OIIRUXLYODMTSB-SFYZADRCSA-N 0 0 184.308 1.495 10 0 ADAERN O=C(c1ccoc1)[C@H]1CCCO1 83710681 573597055 /nfs/dbraw/zinc/59/70/55/573597055.db2.gz ZWUFNTFHEGYTGC-MRVPVSSYSA-N 0 0 166.176 1.641 10 0 ADAERN Clc1ccnc([C@@H]2CCCO2)n1 83710625 573597068 /nfs/dbraw/zinc/59/70/68/573597068.db2.gz MENKUTRHYWUHPV-LURJTMIESA-N 0 0 184.626 1.982 10 0 ADAERN CCCC[C@@H](C)NC(C)=O 78730300 573597069 /nfs/dbraw/zinc/59/70/69/573597069.db2.gz UMBQKVCVCZEWSY-SSDOTTSWSA-N 0 0 143.230 1.701 10 0 ADAERN O[C@@H](c1ccoc1)[C@@H]1CCCO1 83711839 573597073 /nfs/dbraw/zinc/59/70/73/573597073.db2.gz QUIRGXOJCPMALM-IUCAKERBSA-N 0 0 168.192 1.492 10 0 ADAERN NO[C@@H](CO)c1ccccc1Cl 257837996 573597076 /nfs/dbraw/zinc/59/70/76/573597076.db2.gz LGMNBIGWVAPDBE-QMMMGPOBSA-N 0 0 187.626 1.264 10 0 ADAERN C[C@@H](NC=O)c1ccco1 78737672 573597083 /nfs/dbraw/zinc/59/70/83/573597083.db2.gz VHPUAVYNSORVTR-ZCFIWIBFSA-N 0 0 139.154 1.087 10 0 ADAERN C[C@H]1CCC[C@@H](NC=O)C1 78731210 573597098 /nfs/dbraw/zinc/59/70/98/573597098.db2.gz FGICUYIIVQPFGM-JGVFFNPUSA-N 0 0 141.214 1.311 10 0 ADAERN O[C@@H](c1ccoc1)[C@H]1CCCO1 83711843 573597113 /nfs/dbraw/zinc/59/71/13/573597113.db2.gz QUIRGXOJCPMALM-BDAKNGLRSA-N 0 0 168.192 1.492 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H]1CCCO1 83711801 573597125 /nfs/dbraw/zinc/59/71/25/573597125.db2.gz WBPSCVHUDMDBGX-YUMQZZPRSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1ccc([C@H](O)[C@@H]2CCCO2)cn1 83711674 573597132 /nfs/dbraw/zinc/59/71/32/573597132.db2.gz GPIQEEMVXFDWRF-QWRGUYRKSA-N 0 0 193.246 1.602 10 0 ADAERN CC(C)C[C@@H]1[C@H](CO)[C@H]1C(C)(C)O 393540394 573597133 /nfs/dbraw/zinc/59/71/33/573597133.db2.gz XJLYGSLNMPAPBW-UTLUCORTSA-N 0 0 186.295 1.658 10 0 ADAERN CCn1ccnc1C(=O)[C@@H]1CCCO1 83710917 573597143 /nfs/dbraw/zinc/59/71/43/573597143.db2.gz VZFRNDHHKLKANO-QMMMGPOBSA-N 0 0 194.234 1.265 10 0 ADAERN Cc1c(C(=O)CN)noc1C(C)C 82395341 573597147 /nfs/dbraw/zinc/59/71/47/573597147.db2.gz GYDNSVHCIUVSBW-UHFFFAOYSA-N 0 0 182.223 1.248 10 0 ADAERN CCn1cc(C(=O)[C@@H]2CCCO2)cn1 83710708 573597155 /nfs/dbraw/zinc/59/71/55/573597155.db2.gz XUJXTEQOOFHJDQ-VIFPVBQESA-N 0 0 194.234 1.265 10 0 ADAERN CCc1c(C=O)csc1N 75526211 573597188 /nfs/dbraw/zinc/59/71/88/573597188.db2.gz OBJOCJAQNDUMNU-UHFFFAOYSA-N 0 0 155.222 1.705 10 0 ADAERN C[C@]([NH3+])(c1cccs1)[P@@H](=O)[O-] 238457421 573597235 /nfs/dbraw/zinc/59/72/35/573597235.db2.gz ZWGDRGSBNMKFJX-ZCFIWIBFSA-N 0 0 191.192 1.347 10 0 ADAERN COC(=O)C[C@H]1CCCCC[C@H]1O 259524650 573597256 /nfs/dbraw/zinc/59/72/56/573597256.db2.gz AKFULBAIBHZEAU-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN Cc1cn(C)c(C=O)c1C 75525684 573597265 /nfs/dbraw/zinc/59/72/65/573597265.db2.gz HIIGQVUIZZZCDR-UHFFFAOYSA-N 0 0 137.182 1.454 10 0 ADAERN CCc1cc(=O)[nH]c([C@@H]2CCCO2)n1 83710581 573597270 /nfs/dbraw/zinc/59/72/70/573597270.db2.gz LTLPHOUFWUDUHU-QMMMGPOBSA-N 0 0 194.234 1.184 10 0 ADAERN Cc1c(CO)ccnc1C(F)F 238457223 573597276 /nfs/dbraw/zinc/59/72/76/573597276.db2.gz XAQQGNWVKLXXJD-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN CCC(=O)N[C@@](C)(CO)CC(C)C 393540195 573597292 /nfs/dbraw/zinc/59/72/92/573597292.db2.gz WDHRCGRYAIZDKL-SNVBAGLBSA-N 0 0 187.283 1.310 10 0 ADAERN CCC(=O)N[C@](C)(CO)CC(C)C 393540193 573597296 /nfs/dbraw/zinc/59/72/96/573597296.db2.gz WDHRCGRYAIZDKL-JTQLQIEISA-N 0 0 187.283 1.310 10 0 ADAERN Oc1ccc(NC2=NCCO2)cc1 259523560 573597302 /nfs/dbraw/zinc/59/73/02/573597302.db2.gz APMKQKCNJWWUDE-UHFFFAOYSA-N 0 0 178.191 1.190 10 0 ADAERN Nc1ncccc1C(=O)[C@@H]1CCCO1 83710929 573597309 /nfs/dbraw/zinc/59/73/09/573597309.db2.gz WQWBPNHGFRQMHM-QMMMGPOBSA-N 0 0 192.218 1.026 10 0 ADAERN CCCc1nn2cc(C)cnc2c1N 259523294 573597311 /nfs/dbraw/zinc/59/73/11/573597311.db2.gz AKXZKWYPJDJLJC-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CCc1c[nH]c(C=O)c1C 75525640 573597314 /nfs/dbraw/zinc/59/73/14/573597314.db2.gz UFTLCNDEXXZCGJ-UHFFFAOYSA-N 0 0 137.182 1.698 10 0 ADAERN C[C@@H]1[C@H](CC(N)=O)CCC1(C)C 238457089 573597317 /nfs/dbraw/zinc/59/73/17/573597317.db2.gz FRNVIPFEQYQFRR-SFYZADRCSA-N 0 0 169.268 1.934 10 0 ADAERN CCC[C@@H]1CC(=O)N[C@@H]1C 78730671 573597337 /nfs/dbraw/zinc/59/73/37/573597337.db2.gz 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C[C@H]1CC(=O)C(C)(C)C(=O)[C@H]1C 238449238 573612940 /nfs/dbraw/zinc/61/29/40/573612940.db2.gz DHDHXKLASOYJMZ-BQBZGAKWSA-N 0 0 168.236 1.827 10 0 ADAERN CC(=O)c1ccc(N2CC[C@H](O)C2)o1 75549071 573613693 /nfs/dbraw/zinc/61/36/93/573613693.db2.gz MICZGHIZRRLWMQ-QMMMGPOBSA-N 0 0 195.218 1.053 10 0 ADAERN COc1c(C)ccc(CNO)c1C 258068864 573612968 /nfs/dbraw/zinc/61/29/68/573612968.db2.gz UHSABAOAHWPITM-UHFFFAOYSA-N 0 0 181.235 1.791 10 0 ADAERN COC[C@H]1CCc2ccc(N)cc21 257837620 573612973 /nfs/dbraw/zinc/61/29/73/573612973.db2.gz LIVWWDBKLOEQSW-SECBINFHSA-N 0 0 177.247 1.945 10 0 ADAERN CCNc1ncnc2cc(N)ccc12 83729746 573612981 /nfs/dbraw/zinc/61/29/81/573612981.db2.gz WNMQJWXNXBRKGK-UHFFFAOYSA-N 0 0 188.234 1.644 10 0 ADAERN C[C@@]1(C=C=O)C(=O)[C@@H]2CCCC[C@@H]21 238449884 573613015 /nfs/dbraw/zinc/61/30/15/573613015.db2.gz NZQWULGIESYZTE-YWVKMMECSA-N 0 0 178.231 1.770 10 0 ADAERN CC(C)[C@H]([NH3+])[C@@H](C(=O)[O-])C(C)C 259129846 573613055 /nfs/dbraw/zinc/61/30/55/573613055.db2.gz ATJOACGGSCQMLC-YUMQZZPRSA-N 0 0 173.256 1.327 10 0 ADAERN Cc1cc(O)cc2c1OC[C@H](C)N2 238449008 573613064 /nfs/dbraw/zinc/61/30/64/573613064.db2.gz PSDAXXBVPZJIII-ZETCQYMHSA-N 0 0 179.219 1.893 10 0 ADAERN COc1c(O)cc2c(c1O)C(=O)CC2 238449830 573613069 /nfs/dbraw/zinc/61/30/69/573613069.db2.gz KKCDDQFBFCVFEH-UHFFFAOYSA-N 0 0 194.186 1.235 10 0 ADAERN COc1ccc2c(c1CNO)COC2 258067450 573613083 /nfs/dbraw/zinc/61/30/83/573613083.db2.gz LYWCJAUDNHRKEU-UHFFFAOYSA-N 0 0 195.218 1.204 10 0 ADAERN CCOc1ncnc2cc(N)ccc12 83729816 573613092 /nfs/dbraw/zinc/61/30/92/573613092.db2.gz LUVQLDZGYSSRDR-UHFFFAOYSA-N 0 0 189.218 1.611 10 0 ADAERN CCCn1nc2c(c1N)CCC2 83740177 573613131 /nfs/dbraw/zinc/61/31/31/573613131.db2.gz BTZYAARYOXFGTG-UHFFFAOYSA-N 0 0 165.240 1.364 10 0 ADAERN Cn1ccc(NC[C@H]2CCCCO2)n1 86780100 573613132 /nfs/dbraw/zinc/61/31/32/573613132.db2.gz PRUXIAVAEBSMBZ-SECBINFHSA-N 0 0 195.266 1.401 10 0 ADAERN COc1c(CO)ccc(C)c1O 258068625 573613134 /nfs/dbraw/zinc/61/31/34/573613134.db2.gz UCYRTFNBNNOFRT-UHFFFAOYSA-N 0 0 168.192 1.202 10 0 ADAERN Cn1cc(NCC[C@@H]2CCCO2)cn1 86778679 573613141 /nfs/dbraw/zinc/61/31/41/573613141.db2.gz MOOCKCJDPONZTH-JTQLQIEISA-N 0 0 195.266 1.401 10 0 ADAERN CC[C@H](C)ONC(=O)CCCOC 308407262 573613142 /nfs/dbraw/zinc/61/31/42/573613142.db2.gz KBDXMRHEFCBAPV-QMMMGPOBSA-N 0 0 189.255 1.259 10 0 ADAERN C[C@]1(C2CCCCC2)CNC(=O)N1 238449147 573613164 /nfs/dbraw/zinc/61/31/64/573613164.db2.gz ZZVWBUMLDGDQMK-SNVBAGLBSA-N 0 0 182.267 1.638 10 0 ADAERN CC[C@H](C)n1nc2c(c1N)CCC2 83740187 573613172 /nfs/dbraw/zinc/61/31/72/573613172.db2.gz YDZDPTQOXMBCFB-ZETCQYMHSA-N 0 0 179.267 1.925 10 0 ADAERN CCOC(=O)NC[C@@H](O)C(C)(C)C 308406148 573613173 /nfs/dbraw/zinc/61/31/73/573613173.db2.gz JRSCZKKMAYVLCW-SSDOTTSWSA-N 0 0 189.255 1.140 10 0 ADAERN C[C@@H]1C(=O)CCCC[C@@H]1O 238449071 573613175 /nfs/dbraw/zinc/61/31/75/573613175.db2.gz CAOVBUXIWXLHEL-BQBZGAKWSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@]12CC[C@H](O)C=C1CCCC2=O 238449792 573613180 /nfs/dbraw/zinc/61/31/80/573613180.db2.gz HAHIBWIQFMLKLJ-GXSJLCMTSA-N 0 0 180.247 1.827 10 0 ADAERN Oc1cccc2c1NC=CN2 206040127 573613198 /nfs/dbraw/zinc/61/31/98/573613198.db2.gz RJXNRPCVGCWPHJ-UHFFFAOYSA-N 0 0 148.165 1.701 10 0 ADAERN CC(C)OCc1cnc(N)s1 86766779 573613205 /nfs/dbraw/zinc/61/32/05/573613205.db2.gz RETQIBMDGVFVKQ-UHFFFAOYSA-N 0 0 172.253 1.650 10 0 ADAERN Cn1ccc(N[C@@H]2CCCC[C@H]2O)n1 86780368 573613226 /nfs/dbraw/zinc/61/32/26/573613226.db2.gz BYRMKJNYKHZFQR-RKDXNWHRSA-N 0 0 195.266 1.136 10 0 ADAERN CCCOCc1nccc(=S)[nH]1 233233195 573613234 /nfs/dbraw/zinc/61/32/34/573613234.db2.gz GBINRHYHVYULDQ-UHFFFAOYSA-N 0 0 184.264 1.692 10 0 ADAERN CC[C@H](Nc1[nH+]ccn1CC)C(=O)[O-] 50607624 573613254 /nfs/dbraw/zinc/61/32/54/573613254.db2.gz SHWRTGOQSBCFST-ZETCQYMHSA-N 0 0 197.238 1.178 10 0 ADAERN O=C1OCC[C@@H]1NCCC1CCC1 308406366 573613255 /nfs/dbraw/zinc/61/32/55/573613255.db2.gz MGAOWGDYUMKPIO-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN COc1c(N)ccc2c1OCO2 238449186 573613256 /nfs/dbraw/zinc/61/32/56/573613256.db2.gz PWVPKXNZUQKHDK-UHFFFAOYSA-N 0 0 167.164 1.006 10 0 ADAERN O=c1cc2ccsc2co1 107455330 573613713 /nfs/dbraw/zinc/61/37/13/573613713.db2.gz PKVKBJAMYQIFHC-UHFFFAOYSA-N 0 0 152.174 1.855 10 0 ADAERN CC(C)(C)N1CCCNC1=O 96373556 573613269 /nfs/dbraw/zinc/61/32/69/573613269.db2.gz NSVUESDEOJRVHO-UHFFFAOYSA-N 0 0 156.229 1.200 10 0 ADAERN Cc1cccc2c1NC=C[C@@H]2O 238449185 573613282 /nfs/dbraw/zinc/61/32/82/573613282.db2.gz YHJLGUXKBJLAJQ-VIFPVBQESA-N 0 0 161.204 1.968 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1ocnc1CO 86762825 573613289 /nfs/dbraw/zinc/61/32/89/573613289.db2.gz JIWSLHAJQGIQGM-BQBZGAKWSA-N 0 0 183.207 1.059 10 0 ADAERN Cc1ccc(C(N)=O)c(C(F)F)n1 238448954 573613305 /nfs/dbraw/zinc/61/33/05/573613305.db2.gz CJGCRIUFLORNJS-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN C[C@H](O)C[C@H](C)C1(O)CCCC1 238448981 573613312 /nfs/dbraw/zinc/61/33/12/573613312.db2.gz ZRCOLVKLICKKHO-IUCAKERBSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H]1CC[C@@H](C2=NC(C)(C)C(=O)N2)C1 235623862 573613319 /nfs/dbraw/zinc/61/33/19/573613319.db2.gz GJMGFKWIZKWTSN-JGVFFNPUSA-N 0 0 194.278 1.730 10 0 ADAERN Cn1ccc(NC[C@@H]2CCCCO2)n1 86780098 573613328 /nfs/dbraw/zinc/61/33/28/573613328.db2.gz PRUXIAVAEBSMBZ-VIFPVBQESA-N 0 0 195.266 1.401 10 0 ADAERN Cc1ccc(C(N)=O)c2cccnc12 238449115 573613329 /nfs/dbraw/zinc/61/33/29/573613329.db2.gz UGCROSFDZFWEHA-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 ADAERN O=c1cccc(Cc2cccnc2)[nH]1 236413528 573613338 /nfs/dbraw/zinc/61/33/38/573613338.db2.gz WQHLKMGPIYQUNJ-UHFFFAOYSA-N 0 0 186.214 1.361 10 0 ADAERN CC[C@H](C)Nc1cncc(N)n1 86778106 573613339 /nfs/dbraw/zinc/61/33/39/573613339.db2.gz KUCRVWRHHXJYBS-LURJTMIESA-N 0 0 166.228 1.269 10 0 ADAERN Cc1cccc2c1OC[C@H](C)NC2=O 238449030 573613341 /nfs/dbraw/zinc/61/33/41/573613341.db2.gz VLAUOVHYEOODDH-QMMMGPOBSA-N 0 0 191.230 1.506 10 0 ADAERN CC[C@H](CO)n1cccc1 96373306 573613351 /nfs/dbraw/zinc/61/33/51/573613351.db2.gz MCSTYOSIHLMRSS-MRVPVSSYSA-N 0 0 139.198 1.432 10 0 ADAERN Cn1cc(NC[C@H]2CCCO2)cn1 86778833 573613356 /nfs/dbraw/zinc/61/33/56/573613356.db2.gz YWRBSVCLXVLLSR-SECBINFHSA-N 0 0 181.239 1.011 10 0 ADAERN C[C@H]1C[C@@H](C)[C@@H](O)CCC1=O 238449138 573613357 /nfs/dbraw/zinc/61/33/57/573613357.db2.gz NYOXRAPWBBLTEQ-CSMHCCOUSA-N 0 0 156.225 1.373 10 0 ADAERN COCCC(=O)Cc1ccoc1 130593368 573613380 /nfs/dbraw/zinc/61/33/80/573613380.db2.gz ODTZLADHEBXPGJ-UHFFFAOYSA-N 0 0 168.192 1.428 10 0 ADAERN C[C@H]1CO[C@](C)(c2ccccc2)[NH2+]1 238448830 573613381 /nfs/dbraw/zinc/61/33/81/573613381.db2.gz WKECIXICRLJLNZ-GXSJLCMTSA-N 0 0 177.247 1.868 10 0 ADAERN CCc1c(O)cc(O)cc1OC 75555769 573613382 /nfs/dbraw/zinc/61/33/82/573613382.db2.gz BRIQXFCCCZDJEH-UHFFFAOYSA-N 0 0 168.192 1.669 10 0 ADAERN Cn1ccc(NCC2(O)CCCC2)n1 86780545 573613402 /nfs/dbraw/zinc/61/34/02/573613402.db2.gz PRZWXQZLLOJYIS-UHFFFAOYSA-N 0 0 195.266 1.137 10 0 ADAERN Cc1ccc2c(c1)[C@@H](C)[C@@H](O)CN2 238449627 573613412 /nfs/dbraw/zinc/61/34/12/573613412.db2.gz VDJKYSGJSKJBFE-KCJUWKMLSA-N 0 0 177.247 1.885 10 0 ADAERN Cc1cc(N)cc2oncc12 238449963 573613423 /nfs/dbraw/zinc/61/34/23/573613423.db2.gz UTPVMOUEJFGYBK-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN NNc1cccc2c1NSN2 75556419 573613440 /nfs/dbraw/zinc/61/34/40/573613440.db2.gz KIASQDGRASFHLL-UHFFFAOYSA-N 0 0 168.225 1.373 10 0 ADAERN Nc1ccc(F)c(-c2nnco2)c1F 86764105 573613447 /nfs/dbraw/zinc/61/34/47/573613447.db2.gz YGJCBWASQMKSGR-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1nc(-c2ccncc2F)cs1 96378708 573613450 /nfs/dbraw/zinc/61/34/50/573613450.db2.gz WTNFGYUQKJQDIA-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN NN=c1[nH]cc(COC2CCC2)s1 86775774 573613458 /nfs/dbraw/zinc/61/34/58/573613458.db2.gz ONTQAOKKBVGRKE-UHFFFAOYSA-N 0 0 199.279 1.498 10 0 ADAERN CC(=O)c1coc(C[C@H]2CCCO2)n1 258070367 573613722 /nfs/dbraw/zinc/61/37/22/573613722.db2.gz LWWMZLIMOXEGBG-MRVPVSSYSA-N 0 0 195.218 1.599 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1csc(N)n1 96378797 573613471 /nfs/dbraw/zinc/61/34/71/573613471.db2.gz YJUVFYJBQLYPPB-VDTYLAMSSA-N 0 0 184.264 1.823 10 0 ADAERN C[C@H]1CCO[C@@H]1c1csc(N)n1 96378798 573613488 /nfs/dbraw/zinc/61/34/88/573613488.db2.gz YJUVFYJBQLYPPB-FSPLSTOPSA-N 0 0 184.264 1.823 10 0 ADAERN Cc1ccn(Cc2cnc(N)s2)n1 86766598 573613495 /nfs/dbraw/zinc/61/34/95/573613495.db2.gz APSXTEFNDLXJSW-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1cccc2c1NC=N[C@@H]2O 238449359 573613512 /nfs/dbraw/zinc/61/35/12/573613512.db2.gz LOESQHDZILVEPF-SECBINFHSA-N 0 0 162.192 1.249 10 0 ADAERN Cn1cc2c(N)c(Cl)ccc2n1 259529959 573613513 /nfs/dbraw/zinc/61/35/13/573613513.db2.gz RKARJFHQUALZSM-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cc1ccccc1CCNC#N 86763054 573613530 /nfs/dbraw/zinc/61/35/30/573613530.db2.gz XLZBUTOMQXFSGU-UHFFFAOYSA-N 0 0 160.220 1.608 10 0 ADAERN Cc1nc(N)c2c(n1)SCC2 75555417 573613535 /nfs/dbraw/zinc/61/35/35/573613535.db2.gz DWIJKIMWVYYYHE-UHFFFAOYSA-N 0 0 167.237 1.015 10 0 ADAERN CC/C=C\C(=O)N1CC(C)(OC)C1 308406697 573613934 /nfs/dbraw/zinc/61/39/34/573613934.db2.gz JYBYYXNIZGIUAV-WAYWQWQTSA-N 0 0 183.251 1.200 10 0 ADAERN Nc1nc(-c2cnns2)cs1 96378731 573613953 /nfs/dbraw/zinc/61/39/53/573613953.db2.gz RPXARSIWEFVOBD-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN C[C@H](O)C[C@@]1(C)OCCS1 238448777 573613961 /nfs/dbraw/zinc/61/39/61/573613961.db2.gz NDRVPEYOGNPWAB-BQBZGAKWSA-N 0 0 162.254 1.237 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@](C)(O)C1=O 238449224 573613977 /nfs/dbraw/zinc/61/39/77/573613977.db2.gz RBNIPCOCTSCMOJ-FJXKBIBVSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1NC1=NCCO1 238449799 573613979 /nfs/dbraw/zinc/61/39/79/573613979.db2.gz TZIZJRZHXVVVED-UTLUCORTSA-N 0 0 196.294 1.787 10 0 ADAERN C[C@@H](CO)c1ccc(CCO)cc1 259530042 573614562 /nfs/dbraw/zinc/61/45/62/573614562.db2.gz UDVGWZKICGLLCS-VIFPVBQESA-N 0 0 180.247 1.317 10 0 ADAERN CCCOCC[C@H](CCO)C(C)=O 233232830 573614589 /nfs/dbraw/zinc/61/45/89/573614589.db2.gz QESBMODJCMCYKW-JTQLQIEISA-N 0 0 188.267 1.391 10 0 ADAERN Nc1n[nH]cc1[C@H](O)c1ccsc1 83747492 573614598 /nfs/dbraw/zinc/61/45/98/573614598.db2.gz UZMAWWXUFFQIST-SSDOTTSWSA-N 0 0 195.247 1.135 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H](CO)[C@@H]1O 238449984 573614609 /nfs/dbraw/zinc/61/46/09/573614609.db2.gz ARJHTCLKGCTLBI-BZNPZCIMSA-N 0 0 158.241 1.022 10 0 ADAERN COC[C@H]1COc2cc(N)ccc2C1 257838015 573614615 /nfs/dbraw/zinc/61/46/15/573614615.db2.gz LHGSQVKSPBAGGL-QMMMGPOBSA-N 0 0 193.246 1.466 10 0 ADAERN Cc1ccc(C)n1C[C@@H](C)O 96373308 573614625 /nfs/dbraw/zinc/61/46/25/573614625.db2.gz RHSNVUAOUURRIK-SECBINFHSA-N 0 0 153.225 1.486 10 0 ADAERN CCn1ccnc1N(CCO)C(C)C 50614469 573614635 /nfs/dbraw/zinc/61/46/35/573614635.db2.gz RCPVSYMZXOTOLY-UHFFFAOYSA-N 0 0 197.282 1.110 10 0 ADAERN CCCN(CCO)c1nccn1CC 50614484 573614655 /nfs/dbraw/zinc/61/46/55/573614655.db2.gz IKIBOPHLMQTDDK-UHFFFAOYSA-N 0 0 197.282 1.112 10 0 ADAERN O=C(C=C1CCC1)NCCCCF 308406416 573614658 /nfs/dbraw/zinc/61/46/58/573614658.db2.gz MHVYDWLPXRWMCE-UHFFFAOYSA-N 0 0 185.242 1.963 10 0 ADAERN C[Si](C)(C)[C@H]1CC[C@@H]1O 238449675 573614661 /nfs/dbraw/zinc/61/46/61/573614661.db2.gz RZWZPCLAGYZJCJ-BQBZGAKWSA-N 0 0 144.290 1.850 10 0 ADAERN Cn1cc(NCCC2CC2)cn1 86779214 573614012 /nfs/dbraw/zinc/61/40/12/573614012.db2.gz WMYCBABQVAMLRR-UHFFFAOYSA-N 0 0 165.240 1.632 10 0 ADAERN Cc1cccc2c1C(=O)NCC[C@@H]2O 238449249 573614017 /nfs/dbraw/zinc/61/40/17/573614017.db2.gz JLIYFNJFHMLYDW-VIFPVBQESA-N 0 0 191.230 1.162 10 0 ADAERN C[C@H]1CC[C@H](c2csc(N)n2)O1 96378794 573614018 /nfs/dbraw/zinc/61/40/18/573614018.db2.gz OXUFWMUCRAZCDV-CAHLUQPWSA-N 0 0 184.264 1.965 10 0 ADAERN CCOC(=O)CNCCC=C(C)C 308406217 573614027 /nfs/dbraw/zinc/61/40/27/573614027.db2.gz JVFWIRRSURDLFJ-UHFFFAOYSA-N 0 0 185.267 1.495 10 0 ADAERN C[C@H]1CC[C@@H](c2csc(N)n2)O1 96378796 573614028 /nfs/dbraw/zinc/61/40/28/573614028.db2.gz OXUFWMUCRAZCDV-FSPLSTOPSA-N 0 0 184.264 1.965 10 0 ADAERN O=Cc1nccc(C2CCC2)n1 107456423 573614029 /nfs/dbraw/zinc/61/40/29/573614029.db2.gz OJIXRFHCDKQQHC-UHFFFAOYSA-N 0 0 162.192 1.557 10 0 ADAERN COCOc1c(C)ccc(N)c1C 83748398 573614032 /nfs/dbraw/zinc/61/40/32/573614032.db2.gz SOSMERNLPXKFCW-UHFFFAOYSA-N 0 0 181.235 1.868 10 0 ADAERN C[C@H]1C[C@H]1c1csc(N)n1 96378696 573614035 /nfs/dbraw/zinc/61/40/35/573614035.db2.gz MACLCZRAQYAMBB-CRCLSJGQSA-N 0 0 154.238 1.849 10 0 ADAERN C[C@](O)(CO)c1ccccc1N=O 238449005 573614058 /nfs/dbraw/zinc/61/40/58/573614058.db2.gz LAWKZGVLWJHDBW-VIFPVBQESA-N 0 0 181.191 1.284 10 0 ADAERN Cn1cc(NCCC(F)(F)F)cn1 86778781 573614059 /nfs/dbraw/zinc/61/40/59/573614059.db2.gz XTKGQFOGYVPGSI-UHFFFAOYSA-N 0 0 193.172 1.784 10 0 ADAERN Cc1ncc(CCCO)cc1O 75555156 573614069 /nfs/dbraw/zinc/61/40/69/573614069.db2.gz FLAISFSBOTUETE-UHFFFAOYSA-N 0 0 167.208 1.021 10 0 ADAERN C[Si](C)(C)[C@H]1CC[C@H]1O 238449747 573614088 /nfs/dbraw/zinc/61/40/88/573614088.db2.gz RZWZPCLAGYZJCJ-RQJHMYQMSA-N 0 0 144.290 1.850 10 0 ADAERN COCSc1ccncc1N 83749038 573614092 /nfs/dbraw/zinc/61/40/92/573614092.db2.gz UYIGADMWAJJQKG-UHFFFAOYSA-N 0 0 170.237 1.360 10 0 ADAERN O[C@@H]1C=CCC12CCC2 224402275 573614093 /nfs/dbraw/zinc/61/40/93/573614093.db2.gz IQJGJMHJGNCSOD-SSDOTTSWSA-N 0 0 124.183 1.478 10 0 ADAERN C[C@@]1(C=C=O)C(=O)[C@@H]2CCC[C@@H]21 238449923 573614100 /nfs/dbraw/zinc/61/41/00/573614100.db2.gz WUMQCWCVJLWTNQ-WEDXCCLWSA-N 0 0 164.204 1.380 10 0 ADAERN C[C@@]1(c2csc(N)n2)CCCO1 96378739 573614106 /nfs/dbraw/zinc/61/41/06/573614106.db2.gz MSTHXANXQYEJIR-QMMMGPOBSA-N 0 0 184.264 1.751 10 0 ADAERN C[C@]12CCC(=O)[C@@H]1C[C@@H](O)CC2 238449928 573614107 /nfs/dbraw/zinc/61/41/07/573614107.db2.gz JNWMHOQIQGADCY-NRPADANISA-N 0 0 168.236 1.517 10 0 ADAERN O=C1OCC[C@H]1NCCC1CCC1 308406363 573614111 /nfs/dbraw/zinc/61/41/11/573614111.db2.gz MGAOWGDYUMKPIO-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H]([C@H](C)CC(=O)[O-])[NH+](C)C 82399638 573614131 /nfs/dbraw/zinc/61/41/31/573614131.db2.gz NNQWOFGEMFJYIL-HTQZYQBOSA-N 0 0 173.256 1.437 10 0 ADAERN Cc1cc([C@H](N)c2nc[nH]n2)cs1 83746112 573614139 /nfs/dbraw/zinc/61/41/39/573614139.db2.gz YVCSSVJTOYMNLC-ZETCQYMHSA-N 0 0 194.263 1.223 10 0 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199.077 1.314 10 0 ADAERN O=Cc1ncc(C2CCC2)cn1 107456443 573614250 /nfs/dbraw/zinc/61/42/50/573614250.db2.gz OFTDGBYICJIXOX-UHFFFAOYSA-N 0 0 162.192 1.557 10 0 ADAERN OC[C@@]1(O)CCc2cc(F)ccc2C1 257838008 573614251 /nfs/dbraw/zinc/61/42/51/573614251.db2.gz LGYKLPHVGUBYRU-LLVKDONJSA-N 0 0 196.221 1.038 10 0 ADAERN COC1(CCO)CCSCC1 257837628 573614259 /nfs/dbraw/zinc/61/42/59/573614259.db2.gz LIZSTOWMYYMMEC-UHFFFAOYSA-N 0 0 176.281 1.281 10 0 ADAERN Cc1cc(N)cc([C@H]([NH3+])CC(=O)[O-])c1 238448756 573614284 /nfs/dbraw/zinc/61/42/84/573614284.db2.gz QIRYWKLAJZUMCJ-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN CCCCSCCn1cc(N)cn1 50615268 573614285 /nfs/dbraw/zinc/61/42/85/573614285.db2.gz NVGPACRTARHXTG-UHFFFAOYSA-N 0 0 199.323 1.999 10 0 ADAERN Nc1nc(CC[C@@H]2CCCO2)cs1 96378787 573614290 /nfs/dbraw/zinc/61/42/90/573614290.db2.gz OMEOCXOIRNTLNE-QMMMGPOBSA-N 0 0 198.291 1.837 10 0 ADAERN COCC[N@H+](CC[C@H](C)F)C1CC1 308406208 573614298 /nfs/dbraw/zinc/61/42/98/573614298.db2.gz 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573616281 /nfs/dbraw/zinc/61/62/81/573616281.db2.gz ILJVEPUSUMEMCW-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN COCOc1ccc2c(c1)OC[C@@H]2O 83749100 573616302 /nfs/dbraw/zinc/61/63/02/573616302.db2.gz UXBFUSSDIUUDCG-VIFPVBQESA-N 0 0 196.202 1.095 10 0 ADAERN O=Cc1cnc(C[C@@H]2CCSC2)o1 258070445 573616304 /nfs/dbraw/zinc/61/63/04/573616304.db2.gz LYJDDJMLQYCFNZ-ZETCQYMHSA-N 0 0 197.259 1.783 10 0 ADAERN Oc1cccc2c1NCC21CC1 259528365 573616306 /nfs/dbraw/zinc/61/63/06/573616306.db2.gz AYKUBYOMLSWUHC-UHFFFAOYSA-N 0 0 161.204 1.849 10 0 ADAERN CC(C)Cc1nnc(CNC2CC2)o1 50616237 573616333 /nfs/dbraw/zinc/61/63/33/573616333.db2.gz GESWOVLNUJMNOX-UHFFFAOYSA-N 0 0 195.266 1.520 10 0 ADAERN COCOc1cc(F)c(N)cc1F 83748412 573616335 /nfs/dbraw/zinc/61/63/35/573616335.db2.gz CGOCIVOMWDQPDA-UHFFFAOYSA-N 0 0 189.161 1.530 10 0 ADAERN C[C@H](O)c1cnc([C@@H]2CCCN2C)o1 258070384 573616343 /nfs/dbraw/zinc/61/63/43/573616343.db2.gz LWXKOGVTUKAMCV-YUMQZZPRSA-N 0 0 196.250 1.495 10 0 ADAERN C[C@@H]1CCO[C@H]1c1csc(N)n1 96378799 573616354 /nfs/dbraw/zinc/61/63/54/573616354.db2.gz YJUVFYJBQLYPPB-IYSWYEEDSA-N 0 0 184.264 1.823 10 0 ADAERN CCN(CC)C(=O)[C@H]1CCC1(F)F 308407382 573616398 /nfs/dbraw/zinc/61/63/98/573616398.db2.gz KGFMQHBXDMUKIC-SSDOTTSWSA-N 0 0 191.221 1.900 10 0 ADAERN C[C@H]1CC[C@](C)(O)CC1=O 238451322 573616402 /nfs/dbraw/zinc/61/64/02/573616402.db2.gz DYRPYNLYDDYZON-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN COCOc1ccc(N)c(Cl)c1 83748403 573616404 /nfs/dbraw/zinc/61/64/04/573616404.db2.gz PNAKGOUZHZFDJP-UHFFFAOYSA-N 0 0 187.626 1.905 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc(CNC2CC2)o1 50616179 573616413 /nfs/dbraw/zinc/61/64/13/573616413.db2.gz DAEVAJBTMIZKHV-XPUUQOCRSA-N 0 0 193.250 1.445 10 0 ADAERN C[C@H]1C[C@H]1/C=C/CO 238451344 573616419 /nfs/dbraw/zinc/61/64/19/573616419.db2.gz LJWLTEMXHPYEAV-AJFYLEMGSA-N 0 0 112.172 1.191 10 0 ADAERN CC[C@@H](C)ONC(=O)[C@H](C)COC 308407409 573616430 /nfs/dbraw/zinc/61/64/30/573616430.db2.gz KHSRPWBQMPVJQE-HTQZYQBOSA-N 0 0 189.255 1.115 10 0 ADAERN C[C@@H]1CN(CC(C)(C)C)C(=O)NC1=O 86786651 573616444 /nfs/dbraw/zinc/61/64/44/573616444.db2.gz ZOEPMSXGTMWBCI-SSDOTTSWSA-N 0 0 198.266 1.220 10 0 ADAERN C[C@]12CCC(=O)[C@@H]1[C@@H](O)CC2 238450189 573616464 /nfs/dbraw/zinc/61/64/64/573616464.db2.gz BGVBBEZPCJDKTB-XVYDVKMFSA-N 0 0 154.209 1.127 10 0 ADAERN Cc1cc(-c2csc(N)n2)n(C)n1 96378680 573615707 /nfs/dbraw/zinc/61/57/07/573615707.db2.gz YYBRDGHJXRUEDL-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1cccc([C@@H](N)c2nc[nH]n2)c1 83746123 573615710 /nfs/dbraw/zinc/61/57/10/573615710.db2.gz XQALEOPSZPQDBK-SECBINFHSA-N 0 0 188.234 1.161 10 0 ADAERN C[C@H]1CC[C@@]2(CCC(=O)NC2=O)C1 238450225 573615726 /nfs/dbraw/zinc/61/57/26/573615726.db2.gz FLQUUFCAHGCMID-OIBJUYFYSA-N 0 0 181.235 1.229 10 0 ADAERN CC(=O)C[C@@H]1O[C@H](C)C[C@@H]1C 238450322 573615770 /nfs/dbraw/zinc/61/57/70/573615770.db2.gz VMBZLQQUTNZCSM-ZQARSLAVSA-N 0 0 156.225 1.779 10 0 ADAERN COCSc1ccc(N)cc1 83749037 573615785 /nfs/dbraw/zinc/61/57/85/573615785.db2.gz 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/nfs/dbraw/zinc/61/59/12/573615912.db2.gz DGANZTXKBBSBOU-UHFFFAOYSA-N 0 0 183.255 1.522 10 0 ADAERN Cc1cc(C=O)cc2c1OCC2 107456395 573615913 /nfs/dbraw/zinc/61/59/13/573615913.db2.gz OIPBSTAPYOPYPN-UHFFFAOYSA-N 0 0 162.188 1.742 10 0 ADAERN Cc1cc(=O)c2c([nH]1)CC[C@@H](C)C2 75567640 573615918 /nfs/dbraw/zinc/61/59/18/573615918.db2.gz RVZMEVJQIUQKDF-SSDOTTSWSA-N 0 0 177.247 1.808 10 0 ADAERN CN(C)c1cc(F)ccc1CNO 259530101 573615931 /nfs/dbraw/zinc/61/59/31/573615931.db2.gz UEXYDFBMMGTHNS-UHFFFAOYSA-N 0 0 184.214 1.371 10 0 ADAERN Cc1c(F)cc(CCO)cc1F 258070458 573615934 /nfs/dbraw/zinc/61/59/34/573615934.db2.gz UJHIYVXPISXFDK-UHFFFAOYSA-N 0 0 172.174 1.808 10 0 ADAERN C[C@@H](O)c1cnc([C@@H]2CCCN2C)o1 258070382 573615980 /nfs/dbraw/zinc/61/59/80/573615980.db2.gz LWXKOGVTUKAMCV-SFYZADRCSA-N 0 0 196.250 1.495 10 0 ADAERN COc1c(O)ccc2c1C(=O)CCO2 238450451 573615983 /nfs/dbraw/zinc/61/59/83/573615983.db2.gz AIGZHDFFOVMYJK-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN CC(C)NCc1nnc([C@H]2C[C@H]2C)o1 50615974 573615984 /nfs/dbraw/zinc/61/59/84/573615984.db2.gz KTXOLAUSNSPMMS-SFYZADRCSA-N 0 0 195.266 1.691 10 0 ADAERN Cc1cc(=O)cc2n1CCCC2 238450190 573616003 /nfs/dbraw/zinc/61/60/03/573616003.db2.gz XNCZJWMCLQUKJX-UHFFFAOYSA-N 0 0 163.220 1.493 10 0 ADAERN OC[C@H]1Cc2cccc(F)c2N1 107457062 573616005 /nfs/dbraw/zinc/61/60/05/573616005.db2.gz JOBKBZNUXDUMSQ-SSDOTTSWSA-N 0 0 167.183 1.155 10 0 ADAERN Nc1n[nH]cc1[C@@H](O)CC1CCCC1 83747318 573616007 /nfs/dbraw/zinc/61/60/07/573616007.db2.gz ZIJREOASFRGPHT-VIFPVBQESA-N 0 0 195.266 1.606 10 0 ADAERN CC[C@H](C)ONC(=O)[C@@H](C)COC 308407624 573616009 /nfs/dbraw/zinc/61/60/09/573616009.db2.gz KHSRPWBQMPVJQE-YUMQZZPRSA-N 0 0 189.255 1.115 10 0 ADAERN C[C@H]1CC[C@@]2(CCC[C@@H]2O)C1=O 238450318 573616010 /nfs/dbraw/zinc/61/60/10/573616010.db2.gz BDHVCHWWVJMSOY-OYNCUSHFSA-N 0 0 168.236 1.517 10 0 ADAERN CCOCn1nc(N)c2ccccc21 83756541 573616028 /nfs/dbraw/zinc/61/60/28/573616028.db2.gz MXRYSYPULJAQJU-UHFFFAOYSA-N 0 0 191.234 1.613 10 0 ADAERN Nc1n[nH]cc1[C@@H](O)c1ccsc1 83747491 573616037 /nfs/dbraw/zinc/61/60/37/573616037.db2.gz UZMAWWXUFFQIST-ZETCQYMHSA-N 0 0 195.247 1.135 10 0 ADAERN COCOc1cc(N)ccc1C 83748384 573616053 /nfs/dbraw/zinc/61/60/53/573616053.db2.gz KBDIALZEQLWSGM-UHFFFAOYSA-N 0 0 167.208 1.560 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnc(CNC2CC2)o1 50616178 573616062 /nfs/dbraw/zinc/61/60/62/573616062.db2.gz DAEVAJBTMIZKHV-SVRRBLITSA-N 0 0 193.250 1.445 10 0 ADAERN C[C@]12CC[C@@]1(C)NC(=O)O2 238451059 573616069 /nfs/dbraw/zinc/61/60/69/573616069.db2.gz PSJIUGMPHUTZQD-RQJHMYQMSA-N 0 0 141.170 1.037 10 0 ADAERN CCSc1c(N)nn(C)c1C 75561550 573616077 /nfs/dbraw/zinc/61/60/77/573616077.db2.gz XNYXYHDOFYWUET-UHFFFAOYSA-N 0 0 171.269 1.423 10 0 ADAERN COc1c(O)ccc2c1C(=O)CCC2 238450217 573616078 /nfs/dbraw/zinc/61/60/78/573616078.db2.gz HTEKHPIQAGVBGQ-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN COc1c(O)ccc2c1CCC(=O)N2 238450421 573616086 /nfs/dbraw/zinc/61/60/86/573616086.db2.gz VIHUBKLRCDVUOE-UHFFFAOYSA-N 0 0 193.202 1.286 10 0 ADAERN C[C@@]12CC[C@H]1C(=O)CCC2=O 238450424 573616094 /nfs/dbraw/zinc/61/60/94/573616094.db2.gz UMJOTSOXLNWHTM-IMTBSYHQSA-N 0 0 152.193 1.335 10 0 ADAERN CN1CC(=O)[C@H]2CCCC[C@@H]21 107455394 573616126 /nfs/dbraw/zinc/61/61/26/573616126.db2.gz XIVNCFVYHUQNRF-YUMQZZPRSA-N 0 0 153.225 1.060 10 0 ADAERN Nc1nc([C@H]2CCCCO2)cs1 96378746 573616129 /nfs/dbraw/zinc/61/61/29/573616129.db2.gz ZUNJLLYOCURGGL-SSDOTTSWSA-N 0 0 184.264 1.967 10 0 ADAERN C[C@@H]1C[C@H]1c1nnc(CNC2CC2)o1 50616180 573616169 /nfs/dbraw/zinc/61/61/69/573616169.db2.gz DAEVAJBTMIZKHV-HTRCEHHLSA-N 0 0 193.250 1.445 10 0 ADAERN CCC[N@H+](/C=C/C(=O)[O-])[C@@H]1CCOC1 308643520 573616170 /nfs/dbraw/zinc/61/61/70/573616170.db2.gz FOECLIRIYBIKJE-BSPAPZMXSA-N 0 0 199.250 1.086 10 0 ADAERN O=Cc1ncc2c(n1)CCCC2 107456425 573616172 /nfs/dbraw/zinc/61/61/72/573616172.db2.gz BOAXCRYICOQLBL-UHFFFAOYSA-N 0 0 162.192 1.168 10 0 ADAERN CN(C)c1cccc(Cl)c1N 96373371 573616185 /nfs/dbraw/zinc/61/61/85/573616185.db2.gz TZPCFRIDTOFKIB-UHFFFAOYSA-N 0 0 170.643 1.988 10 0 ADAERN CCC(CC)CC(=O)OC1COC1 308410164 573616190 /nfs/dbraw/zinc/61/61/90/573616190.db2.gz LFUJNFZOBYEFMV-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)NCc1nnc(C(F)F)o1 50616033 573616196 /nfs/dbraw/zinc/61/61/96/573616196.db2.gz WIHYDERHOLMBTC-UHFFFAOYSA-N 0 0 191.181 1.505 10 0 ADAERN Cc1nnsc1-c1csc(N)n1 96378723 573616198 /nfs/dbraw/zinc/61/61/98/573616198.db2.gz FWVGQBOTWBBPGC-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN C[C@@H]1C[C@H](CC(N)=O)CC1(C)C 238451184 573616200 /nfs/dbraw/zinc/61/62/00/573616200.db2.gz CKYPCAWOQFDBTN-HTQZYQBOSA-N 0 0 169.268 1.934 10 0 ADAERN C[C@H]1CCc2c(N)cncc2C1 107456459 573616205 /nfs/dbraw/zinc/61/62/05/573616205.db2.gz XYEBAYZNQUCTCJ-ZETCQYMHSA-N 0 0 162.236 1.789 10 0 ADAERN C[C@@H]1C[C@H]1c1csc(N)n1 96378695 573616206 /nfs/dbraw/zinc/61/62/06/573616206.db2.gz MACLCZRAQYAMBB-RFZPGFLSSA-N 0 0 154.238 1.849 10 0 ADAERN COCOc1ccc(F)cc1N 83748408 573616208 /nfs/dbraw/zinc/61/62/08/573616208.db2.gz QHCZNUHUQQZROL-UHFFFAOYSA-N 0 0 171.171 1.391 10 0 ADAERN C[C@H]1C[C@@H]1c1csc(N)n1 96378694 573616238 /nfs/dbraw/zinc/61/62/38/573616238.db2.gz MACLCZRAQYAMBB-WHFBIAKZSA-N 0 0 154.238 1.849 10 0 ADAERN O=Cc1cnc(C[C@H]2CCSC2)o1 258070444 573616241 /nfs/dbraw/zinc/61/62/41/573616241.db2.gz LYJDDJMLQYCFNZ-SSDOTTSWSA-N 0 0 197.259 1.783 10 0 ADAERN CCOc1ncnc(Cl)c1OC 96373509 573616257 /nfs/dbraw/zinc/61/62/57/573616257.db2.gz UATVNUMQFSSQGE-UHFFFAOYSA-N 0 0 188.614 1.537 10 0 ADAERN CC1(C[NH3+])CCC(C(=O)[O-])CC1 75561330 573616544 /nfs/dbraw/zinc/61/65/44/573616544.db2.gz LINQZWAYDVXIJW-UHFFFAOYSA-N 0 0 171.240 1.226 10 0 ADAERN Cc1ccnn1-c1ccc(CO)cc1 258070271 573616549 /nfs/dbraw/zinc/61/65/49/573616549.db2.gz MFZCAGYKZQUEMT-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN Cc1cccc2c1OCCO[C@H]2O 238450395 573616552 /nfs/dbraw/zinc/61/65/52/573616552.db2.gz DUZNEWWCOAVMGG-SNVBAGLBSA-N 0 0 180.203 1.395 10 0 ADAERN Cn1ncc([C@@H](O)C(C)(C)C)c1N 83747285 573617297 /nfs/dbraw/zinc/61/72/97/573617297.db2.gz GGCXMWQATUICID-SSDOTTSWSA-N 0 0 183.255 1.082 10 0 ADAERN CC[C@H]1CNc2ccnn2C1 107455300 573617303 /nfs/dbraw/zinc/61/73/03/573617303.db2.gz MQONJFRCOIDOJP-ZETCQYMHSA-N 0 0 151.213 1.335 10 0 ADAERN CCc1ncc([C@H](C)O)o1 258070294 573617308 /nfs/dbraw/zinc/61/73/08/573617308.db2.gz LVSPCHHRFRRWBF-YFKPBYRVSA-N 0 0 141.170 1.290 10 0 ADAERN CCC[C@@H](C)N1C[C@@H](C)C(=O)NC1=O 86784897 573617317 /nfs/dbraw/zinc/61/73/17/573617317.db2.gz LOKGJKHZOXAXPM-HTQZYQBOSA-N 0 0 198.266 1.363 10 0 ADAERN O=C1CCN(CC2CCCC2)C(=O)N1 86785416 573617325 /nfs/dbraw/zinc/61/73/25/573617325.db2.gz GWDKYONZZSTPLP-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN C[C@@H]1CCCC[C@H]1N1CC(=O)NC1=O 86785166 573617336 /nfs/dbraw/zinc/61/73/36/573617336.db2.gz UJEHUDFCZPLSBT-HTQZYQBOSA-N 0 0 196.250 1.117 10 0 ADAERN COCOc1ccc(C)cc1N 83748390 573617337 /nfs/dbraw/zinc/61/73/37/573617337.db2.gz HMPQTLQJHWSLED-UHFFFAOYSA-N 0 0 167.208 1.560 10 0 ADAERN OC[C@H]1Cc2c(F)cccc2N1 107457046 573617338 /nfs/dbraw/zinc/61/73/38/573617338.db2.gz IDBWZBUCFFJKLW-ZCFIWIBFSA-N 0 0 167.183 1.155 10 0 ADAERN CC(C)Oc1ccc(CO)nc1 86792629 573617351 /nfs/dbraw/zinc/61/73/51/573617351.db2.gz PKAVUWINVPOXHY-UHFFFAOYSA-N 0 0 167.208 1.361 10 0 ADAERN Cc1cc(=O)cc2n1CCS2 238450216 573617354 /nfs/dbraw/zinc/61/73/54/573617354.db2.gz WBBCRWDNFHNUSZ-UHFFFAOYSA-N 0 0 167.233 1.262 10 0 ADAERN CN(C)c1cccc(F)c1CON 258070249 573617367 /nfs/dbraw/zinc/61/73/67/573617367.db2.gz MFJVOONOCJOIKG-UHFFFAOYSA-N 0 0 184.214 1.282 10 0 ADAERN CC(C)C[C@@H](C)N1CCC(=O)NC1=O 86785488 573616585 /nfs/dbraw/zinc/61/65/85/573616585.db2.gz LYKBVXXEHMMHCE-MRVPVSSYSA-N 0 0 198.266 1.363 10 0 ADAERN CCCCCc1nnc(CNC)o1 50615376 573616588 /nfs/dbraw/zinc/61/65/88/573616588.db2.gz BRNIRIKEEBZJIN-UHFFFAOYSA-N 0 0 183.255 1.522 10 0 ADAERN COCOc1cc(N)ccc1Cl 83748417 573616596 /nfs/dbraw/zinc/61/65/96/573616596.db2.gz NKEYPSRIZNYLGE-UHFFFAOYSA-N 0 0 187.626 1.905 10 0 ADAERN CC[C@H](C)c1nnc(CNC)o1 50615392 573617384 /nfs/dbraw/zinc/61/73/84/573617384.db2.gz LEHIRYBJQYVUMY-LURJTMIESA-N 0 0 169.228 1.303 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1csc(N)n1 96378720 573616603 /nfs/dbraw/zinc/61/66/03/573616603.db2.gz JWYLOTORVYSMRF-WDSKDSINSA-N 0 0 184.264 1.618 10 0 ADAERN COc1c(Cl)ncnc1N(C)C 96373510 573616623 /nfs/dbraw/zinc/61/66/23/573616623.db2.gz PECNLQGZSJWANJ-UHFFFAOYSA-N 0 0 187.630 1.205 10 0 ADAERN O=C1CCOC[C@@H]1CC[C@@H]1CCCO1 236412630 573616655 /nfs/dbraw/zinc/61/66/55/573616655.db2.gz FQDZQHRHLYAQSM-UWVGGRQHSA-N 0 0 198.262 1.551 10 0 ADAERN CCC(CC)N1CCC(=O)NC1=O 86785057 573616661 /nfs/dbraw/zinc/61/66/61/573616661.db2.gz FSBDGWCARPWMQU-UHFFFAOYSA-N 0 0 184.239 1.117 10 0 ADAERN COc1c(O)cc2c(c1O)C(=O)CO2 238450094 573616662 /nfs/dbraw/zinc/61/66/62/573616662.db2.gz BSRPSMQTYCJWCL-UHFFFAOYSA-N 0 0 196.158 1.558 10 0 ADAERN CC[C@H]1CNc2cc(C)nn2C1 107456889 573616690 /nfs/dbraw/zinc/61/66/90/573616690.db2.gz RIXOTPKIDXWGBF-QMMMGPOBSA-N 0 0 165.240 1.643 10 0 ADAERN O=C1CCOC[C@@H]1CCC1CC1 236412577 573616708 /nfs/dbraw/zinc/61/67/08/573616708.db2.gz SHGRYPOUKOTJGJ-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN O[C@H]1C=CCC12CCC2 224402215 573616709 /nfs/dbraw/zinc/61/67/09/573616709.db2.gz IQJGJMHJGNCSOD-ZETCQYMHSA-N 0 0 124.183 1.478 10 0 ADAERN CSc1nc(N)nc(C)c1C 107457366 573616715 /nfs/dbraw/zinc/61/67/15/573616715.db2.gz VKYABZPQBWCYGE-UHFFFAOYSA-N 0 0 169.253 1.398 10 0 ADAERN Cc1ccc2c(c1)[nH]c(=NN)n2C 75566679 573616721 /nfs/dbraw/zinc/61/67/21/573616721.db2.gz FZPMRGRLJMBFRE-UHFFFAOYSA-N 0 0 176.223 1.167 10 0 ADAERN CC(=O)[C@@]1(C)CC[C@H](C)[C@@]1(C)O 238450445 573616737 /nfs/dbraw/zinc/61/67/37/573616737.db2.gz UZMUOADBYAUSKU-FXBDTBDDSA-N 0 0 170.252 1.763 10 0 ADAERN CCC[C@@H](C)N1C[C@H](C)C(=O)NC1=O 86784891 573616742 /nfs/dbraw/zinc/61/67/42/573616742.db2.gz LOKGJKHZOXAXPM-JGVFFNPUSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)c1nnc(CNC2CC2)o1 50616232 573616759 /nfs/dbraw/zinc/61/67/59/573616759.db2.gz DALQCQNXTREIOA-UHFFFAOYSA-N 0 0 181.239 1.445 10 0 ADAERN CC(C)(O)Cn1cc(N)c(C2CC2)n1 224416694 573616776 /nfs/dbraw/zinc/61/67/76/573616776.db2.gz WJSMEKLFVANGCM-UHFFFAOYSA-N 0 0 195.266 1.114 10 0 ADAERN Cc1cc2ccoc(=O)c2cc1O 75565982 573616778 /nfs/dbraw/zinc/61/67/78/573616778.db2.gz NAPSEQKRCLDLBJ-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN c1cc2n(n1)C[C@@H](C1CC1)CN2 107456634 573616787 /nfs/dbraw/zinc/61/67/87/573616787.db2.gz PVPYBEOIRDCGPK-QMMMGPOBSA-N 0 0 163.224 1.335 10 0 ADAERN CC(C)[C@@H](C)N1CCCNC1=O 96373554 573616791 /nfs/dbraw/zinc/61/67/91/573616791.db2.gz OXRXVSWKEOQUGJ-MRVPVSSYSA-N 0 0 170.256 1.446 10 0 ADAERN CCc1nccc(C=O)c1C 107455169 573616806 /nfs/dbraw/zinc/61/68/06/573616806.db2.gz NIQOMTLNQQSMCY-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN Nc1nc([C@H]2CCSC2)cs1 96378685 573616809 /nfs/dbraw/zinc/61/68/09/573616809.db2.gz KRRBVOIIPYIEOW-YFKPBYRVSA-N 0 0 186.305 1.946 10 0 ADAERN CCc1ncc(C)cc1C=O 107455161 573616825 /nfs/dbraw/zinc/61/68/25/573616825.db2.gz KFGJXMRFPXHHRT-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN CCSc1c(C)nn(C)c1N 75561556 573616861 /nfs/dbraw/zinc/61/68/61/573616861.db2.gz RBIJCNFMXAYFHZ-UHFFFAOYSA-N 0 0 171.269 1.423 10 0 ADAERN Cc1cc2c(N)cccc2c(=O)o1 75565110 573616869 /nfs/dbraw/zinc/61/68/69/573616869.db2.gz UIGFTNKFBHOOBN-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN Nc1ccc(O)c2sncc12 107456953 573616870 /nfs/dbraw/zinc/61/68/70/573616870.db2.gz HQCXCQPYAUWBBS-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN CC(C)[C@H](C)CN1CCC(=O)NC1=O 86787784 573616877 /nfs/dbraw/zinc/61/68/77/573616877.db2.gz JUGPKPYJXRNWGY-MRVPVSSYSA-N 0 0 198.266 1.220 10 0 ADAERN Nc1nc(-c2ccon2)cs1 96378725 573616887 /nfs/dbraw/zinc/61/68/87/573616887.db2.gz FFUMAQWBMVJMOB-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN C[C@@]1(O)CNc2ccc(O)cc2C1 257837667 573616891 /nfs/dbraw/zinc/61/68/91/573616891.db2.gz LLCHVVCGGMKXSM-JTQLQIEISA-N 0 0 179.219 1.111 10 0 ADAERN Cc1ccc(C)n1C(C)(C)CO 96373307 573616896 /nfs/dbraw/zinc/61/68/96/573616896.db2.gz LKEMDBNJONGFTH-UHFFFAOYSA-N 0 0 167.252 1.832 10 0 ADAERN O=C1NCCCN1C1CCCC1 96373550 573616905 /nfs/dbraw/zinc/61/69/05/573616905.db2.gz XGXKDPTUEFIWAD-UHFFFAOYSA-N 0 0 168.240 1.344 10 0 ADAERN Cc1cc(=O)cc2cccnn12 238450268 573616948 /nfs/dbraw/zinc/61/69/48/573616948.db2.gz RRCDPMBGAPOJBK-UHFFFAOYSA-N 0 0 160.176 1.003 10 0 ADAERN O=C1CCOC[C@@H]1CC[C@H]1CCCO1 236412634 573616960 /nfs/dbraw/zinc/61/69/60/573616960.db2.gz FQDZQHRHLYAQSM-VHSXEESVSA-N 0 0 198.262 1.551 10 0 ADAERN C[C@]1(c2ccc(N)cc2)CCOC1 257837674 573616973 /nfs/dbraw/zinc/61/69/73/573616973.db2.gz LLFXUKBRIOHTQT-NSHDSACASA-N 0 0 177.247 1.947 10 0 ADAERN CC(=O)N1[C@@H](C)CC(=O)CC1(C)C 238451026 573616984 /nfs/dbraw/zinc/61/69/84/573616984.db2.gz YIXQRXQUQICXJE-ZETCQYMHSA-N 0 0 183.251 1.365 10 0 ADAERN OCCCc1ccc(Cl)cc1O 258070321 573617013 /nfs/dbraw/zinc/61/70/13/573617013.db2.gz MHEKNXRCHBMIGE-UHFFFAOYSA-N 0 0 186.638 1.971 10 0 ADAERN Cc1nc2ncnn2c(N)c1[C@H](C)F 238450317 573617042 /nfs/dbraw/zinc/61/70/42/573617042.db2.gz ZCBYCGUTMQMDOK-BYPYZUCNSA-N 0 0 195.201 1.045 10 0 ADAERN CC(C)NCc1nnc(C(C)C)o1 50616010 573617054 /nfs/dbraw/zinc/61/70/54/573617054.db2.gz DKHAVPMJASCYAK-UHFFFAOYSA-N 0 0 183.255 1.691 10 0 ADAERN Nc1nc(-c2csnn2)cs1 96378706 573617057 /nfs/dbraw/zinc/61/70/57/573617057.db2.gz ZVGPSNAHGZEBCI-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Nc1c(O)ccc2ccoc12 107455124 573617068 /nfs/dbraw/zinc/61/70/68/573617068.db2.gz ITIBJKMLHSCYED-UHFFFAOYSA-N 0 0 149.149 1.721 10 0 ADAERN CN(CCC1CC1)c1cn[nH]c(=O)c1 308641711 573617081 /nfs/dbraw/zinc/61/70/81/573617081.db2.gz FCNUKPKRBASUBF-UHFFFAOYSA-N 0 0 193.250 1.006 10 0 ADAERN CC(C)[C@@H]1CNc2ccnn2C1 107456884 573617087 /nfs/dbraw/zinc/61/70/87/573617087.db2.gz OLCAJUVXEUVOIS-MRVPVSSYSA-N 0 0 165.240 1.581 10 0 ADAERN CCCCN1CCCNC1=O 96373557 573617097 /nfs/dbraw/zinc/61/70/97/573617097.db2.gz MNBUUSJKVSKGSJ-UHFFFAOYSA-N 0 0 156.229 1.202 10 0 ADAERN CC(C)c1nccn1O 106353159 573617110 /nfs/dbraw/zinc/61/71/10/573617110.db2.gz CBAMQDZSGHLUID-UHFFFAOYSA-N 0 0 126.159 1.244 10 0 ADAERN C[C@@H]1c2ccncc2C[C@@H]1O 238450245 573617116 /nfs/dbraw/zinc/61/71/16/573617116.db2.gz WPVFTFDSKREJTP-MUWHJKNJSA-N 0 0 149.193 1.102 10 0 ADAERN C[C@]1(c2csc(N)n2)CCCO1 96378738 573617175 /nfs/dbraw/zinc/61/71/75/573617175.db2.gz MSTHXANXQYEJIR-MRVPVSSYSA-N 0 0 184.264 1.751 10 0 ADAERN Cc1cc(N)ccc1C(O)=S 238450515 573617198 /nfs/dbraw/zinc/61/71/98/573617198.db2.gz KTQWLXBNOUOKIS-UHFFFAOYSA-N 0 0 167.233 1.811 10 0 ADAERN Nc1nc(-c2ccnnc2)cs1 96379052 573617201 /nfs/dbraw/zinc/61/72/01/573617201.db2.gz GYNFMPBNVXIHAN-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O=c1oc2ccccc2c2oncc12 224411242 573617202 /nfs/dbraw/zinc/61/72/02/573617202.db2.gz OGSRUOYFJVWVBS-UHFFFAOYSA-N 0 0 187.154 1.934 10 0 ADAERN CC[C@@H]1CNc2ccnn2C1 107455297 573617210 /nfs/dbraw/zinc/61/72/10/573617210.db2.gz MQONJFRCOIDOJP-SSDOTTSWSA-N 0 0 151.213 1.335 10 0 ADAERN Cc1cccc2c1[C@H](CO)CN2 107456595 573617218 /nfs/dbraw/zinc/61/72/18/573617218.db2.gz RBOBRMSVAXGHEX-QMMMGPOBSA-N 0 0 163.220 1.496 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1C1C[NH2+]C1 238451350 573617247 /nfs/dbraw/zinc/61/72/47/573617247.db2.gz CSTCPWFNHIJMDS-UHFFFAOYSA-N 0 0 191.230 1.380 10 0 ADAERN Cc1cccc([C@H](N)c2nc[nH]n2)c1 83746122 573617268 /nfs/dbraw/zinc/61/72/68/573617268.db2.gz XQALEOPSZPQDBK-VIFPVBQESA-N 0 0 188.234 1.161 10 0 ADAERN O=c1cc(OC2CCCCC2)nc[nH]1 236411892 573617280 /nfs/dbraw/zinc/61/72/80/573617280.db2.gz OZVQBSFRZWDLLS-UHFFFAOYSA-N 0 0 194.234 1.481 10 0 ADAERN Cc1ccc(/C(=C/CO)CO)cc1 238452290 573621495 /nfs/dbraw/zinc/62/14/95/573621495.db2.gz SDKINBUKYVARPY-IZZDOVSWSA-N 0 0 178.231 1.363 10 0 ADAERN COc1c(C)ccc2[nH]c(=O)n(C)c12 142795152 573621505 /nfs/dbraw/zinc/62/15/05/573621505.db2.gz LMXXSRDUKXPGPG-UHFFFAOYSA-N 0 0 192.218 1.184 10 0 ADAERN Cc1ccc(C(N)C=O)cc1 238452360 573621511 /nfs/dbraw/zinc/62/15/11/573621511.db2.gz CRSCXMHCXXVGBJ-TWGQIWQCSA-N 0 0 149.193 1.810 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+][C@@H](C2CCC2)C1 107460498 573621513 /nfs/dbraw/zinc/62/15/13/573621513.db2.gz FUSVJJVCOARQHJ-DTWKUNHWSA-N 0 0 183.251 1.239 10 0 ADAERN CC[C@@H](C)CN1C[C@@H](C)C(=O)NC1=O 86785945 573621532 /nfs/dbraw/zinc/62/15/32/573621532.db2.gz XWRJIOCGHADBMQ-HTQZYQBOSA-N 0 0 198.266 1.220 10 0 ADAERN C[C@H]1CCCC[C@H]1N1CC(=O)NC1=O 86785169 573621541 /nfs/dbraw/zinc/62/15/41/573621541.db2.gz UJEHUDFCZPLSBT-JGVFFNPUSA-N 0 0 196.250 1.117 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@@H](C)[C@H](C(=O)[O-])C1 107461233 573621542 /nfs/dbraw/zinc/62/15/42/573621542.db2.gz PYZSBYKWZFALIA-XHNCKOQMSA-N 0 0 185.267 1.341 10 0 ADAERN O=C([O-])[C@H]1CCC[NH2+][C@H]1CC1CC1 107460453 573621550 /nfs/dbraw/zinc/62/15/50/573621550.db2.gz WFXMMMJAHMGMCH-IUCAKERBSA-N 0 0 183.251 1.239 10 0 ADAERN CCc1cc(C)[nH]c1CC(=O)OC 259530836 573621552 /nfs/dbraw/zinc/62/15/52/573621552.db2.gz FGYRNZUUAOJEAK-UHFFFAOYSA-N 0 0 181.235 1.601 10 0 ADAERN C[C@H]1c2c(F)cccc2N[C@@H]1CO 107459774 573621564 /nfs/dbraw/zinc/62/15/64/573621564.db2.gz VUIHCDYVIJKACY-HZGVNTEJSA-N 0 0 181.210 1.716 10 0 ADAERN CCn1cc(S)ccc1=O 224429168 573621569 /nfs/dbraw/zinc/62/15/69/573621569.db2.gz PGZKTZYHAQUDNK-UHFFFAOYSA-N 0 0 155.222 1.157 10 0 ADAERN OCc1ccc(OC(F)F)cn1 86792622 573621574 /nfs/dbraw/zinc/62/15/74/573621574.db2.gz CGRJLGIWQUKTTE-UHFFFAOYSA-N 0 0 175.134 1.175 10 0 ADAERN Nc1ccccc1-c1ccn[nH]c1=O 142854905 573621578 /nfs/dbraw/zinc/62/15/78/573621578.db2.gz NAZLGISVHUPLCS-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN C[C@@H]1C[C@H](CCCO)CCC1=O 238451815 573621581 /nfs/dbraw/zinc/62/15/81/573621581.db2.gz VQHWIJOUZHAWGS-RKDXNWHRSA-N 0 0 170.252 1.764 10 0 ADAERN CCC(CC)N1C[C@@H](C)C(=O)NC1=O 86785055 573621583 /nfs/dbraw/zinc/62/15/83/573621583.db2.gz NKQJTUBHLSLRDI-SSDOTTSWSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](C2CC2)[C@@H](C(=O)[O-])C1 107460443 573621588 /nfs/dbraw/zinc/62/15/88/573621588.db2.gz OVWWWSUYTFWYDC-XVYDVKMFSA-N 0 0 183.251 1.095 10 0 ADAERN OC[C@H]1Cc2cccc(Cl)c2N1 107460663 573621593 /nfs/dbraw/zinc/62/15/93/573621593.db2.gz HAUPVJMAHUMCLX-SSDOTTSWSA-N 0 0 183.638 1.669 10 0 ADAERN C[C@@H]1CNC(=O)C2(CCC2)C1 238451623 573621595 /nfs/dbraw/zinc/62/15/95/573621595.db2.gz VZQMBMRSWHOYPY-ZETCQYMHSA-N 0 0 153.225 1.313 10 0 ADAERN Cc1cc2c(C=O)cccn2n1 82405322 573621597 /nfs/dbraw/zinc/62/15/97/573621597.db2.gz FPBAQEZKSCBOPM-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CON(C)C(=O)c1cscc1C 86784587 573621598 /nfs/dbraw/zinc/62/15/98/573621598.db2.gz GUVLOESFKSDUAP-UHFFFAOYSA-N 0 0 185.248 1.690 10 0 ADAERN O=C1CCN([C@H]2CC=CCC2)C(=O)N1 86788010 573621604 /nfs/dbraw/zinc/62/16/04/573621604.db2.gz GSSNJJURMYXCKI-QMMMGPOBSA-N 0 0 194.234 1.037 10 0 ADAERN OC[C@@H]1Cc2c(Cl)cccc2N1 107460649 573621622 /nfs/dbraw/zinc/62/16/22/573621622.db2.gz BGIGXFKRYJQKIQ-LURJTMIESA-N 0 0 183.638 1.669 10 0 ADAERN C[C@H]1C[C@H]2CC(=O)C[C@@](O)(C1)C2 238452499 573621629 /nfs/dbraw/zinc/62/16/29/573621629.db2.gz DOSSERVXTQPPLN-OYNCUSHFSA-N 0 0 168.236 1.517 10 0 ADAERN O=C1CCOC[C@H]1CC1CCOCC1 236413946 573621647 /nfs/dbraw/zinc/62/16/47/573621647.db2.gz JOOXBENHPLMBGM-SNVBAGLBSA-N 0 0 198.262 1.409 10 0 ADAERN Cc1cccc([C@@H](C)O)c1C[C@H](C)O 238451614 573621652 /nfs/dbraw/zinc/62/16/52/573621652.db2.gz ZYNZASOKKUSELW-VHSXEESVSA-N 0 0 194.274 1.972 10 0 ADAERN CCOC(=O)CCc1cnc(C)nc1 259531200 573621653 /nfs/dbraw/zinc/62/16/53/573621653.db2.gz ADHMYLKDBXTOBD-UHFFFAOYSA-N 0 0 194.234 1.281 10 0 ADAERN C[C@@H]1[C@H]2Cc3ccccc3[C@@H]1NC2=O 238451485 573621666 /nfs/dbraw/zinc/62/16/66/573621666.db2.gz KEUKDQCGDUYTGI-AVPPRXQKSA-N 0 0 187.242 1.666 10 0 ADAERN Cn1ccc(-c2ccc(CO)o2)n1 86781916 573621680 /nfs/dbraw/zinc/62/16/80/573621680.db2.gz FKMHWWMRWVXHHP-UHFFFAOYSA-N 0 0 178.191 1.172 10 0 ADAERN COc1cc(=O)c2ccc(F)cc2[nH]1 238452552 573621684 /nfs/dbraw/zinc/62/16/84/573621684.db2.gz YRYKXYFNQKADJF-UHFFFAOYSA-N 0 0 193.177 1.676 10 0 ADAERN Cc1ncoc1C(=O)c1ccoc1 142872510 573621688 /nfs/dbraw/zinc/62/16/88/573621688.db2.gz HPPFLSLFFUDLTB-UHFFFAOYSA-N 0 0 177.159 1.807 10 0 ADAERN CC(=O)Nc1ccc(OC(N)=O)cc1 142874078 573621696 /nfs/dbraw/zinc/62/16/96/573621696.db2.gz NLZLISRHGNJKJT-UHFFFAOYSA-N 0 0 194.190 1.103 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]CC[C@@H]1C1CCC1 107460333 573621737 /nfs/dbraw/zinc/62/17/37/573621737.db2.gz JWMAFZMMDLIJDY-BDAKNGLRSA-N 0 0 183.251 1.097 10 0 ADAERN O=Cc1coc(C[C@@H]2CCCCO2)n1 258075505 573621750 /nfs/dbraw/zinc/62/17/50/573621750.db2.gz MESMYTOFLFAHCB-VIFPVBQESA-N 0 0 195.218 1.599 10 0 ADAERN COc1c2c(cc3[nH]ccc13)OCO2 238451725 573621754 /nfs/dbraw/zinc/62/17/54/573621754.db2.gz VLWZRLYCOXNRIY-UHFFFAOYSA-N 0 0 191.186 1.905 10 0 ADAERN CC(C)[C@H]1[NH2+]CCC[C@H]1C(=O)[O-] 107457941 573621759 /nfs/dbraw/zinc/62/17/59/573621759.db2.gz MOJJROVZIMNMAR-HTQZYQBOSA-N 0 0 171.240 1.095 10 0 ADAERN CCO[C@@H](C)C(=O)Cc1ccoc1 130620155 573621763 /nfs/dbraw/zinc/62/17/63/573621763.db2.gz QTMLAQDWRJCDOC-QMMMGPOBSA-N 0 0 182.219 1.816 10 0 ADAERN CC[C@@H]1[NH2+]C[C@@H](C(=O)[O-])C[C@H]1C 107457881 573621770 /nfs/dbraw/zinc/62/17/70/573621770.db2.gz CEIPFMSCNGIMIR-CSMHCCOUSA-N 0 0 171.240 1.095 10 0 ADAERN OC1(c2ccc3n[nH]cc3c2)CC1 258070471 573621773 /nfs/dbraw/zinc/62/17/73/573621773.db2.gz UKANRPVUOOQNDH-UHFFFAOYSA-N 0 0 174.203 1.544 10 0 ADAERN CC(C)(C)[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 107461212 573621776 /nfs/dbraw/zinc/62/17/76/573621776.db2.gz VOWHEFKDZPSHBK-YUMQZZPRSA-N 0 0 185.267 1.343 10 0 ADAERN O[C@@H]1C[C@H]2C=CCC[C@@H]2O1 147882710 573621782 /nfs/dbraw/zinc/62/17/82/573621782.db2.gz LSWTTYBLTMRSJN-CSMHCCOUSA-N 0 0 140.182 1.060 10 0 ADAERN C[C@H]1CC[C@H](C)[C@@H](NC2=NCCO2)C1 238452407 573621791 /nfs/dbraw/zinc/62/17/91/573621791.db2.gz TZIZJRZHXVVVED-GUBZILKMSA-N 0 0 196.294 1.787 10 0 ADAERN CCc1ccc2c(c1)C[C@H](CO)N2 107459069 573621816 /nfs/dbraw/zinc/62/18/16/573621816.db2.gz PZXRLUXFKVRLMN-SNVBAGLBSA-N 0 0 177.247 1.578 10 0 ADAERN Cc1cc([C@H](C)O)c(F)cc1O 258070507 573621824 /nfs/dbraw/zinc/62/18/24/573621824.db2.gz UMWYPIHBYOINQS-LURJTMIESA-N 0 0 170.183 1.893 10 0 ADAERN COC(=O)C[C@H](C)[C@H]1CCOC1 259615919 573621828 /nfs/dbraw/zinc/62/18/28/573621828.db2.gz FHPJSOVQLXBJNT-YUMQZZPRSA-N 0 0 172.224 1.222 10 0 ADAERN Nc1cc([C@H]2CCCCO2)c[nH]c1=O 259530243 573621844 /nfs/dbraw/zinc/62/18/44/573621844.db2.gz BAJNLIPCJWXKLP-SECBINFHSA-N 0 0 194.234 1.611 10 0 ADAERN C[C@H](O)CNCc1coc(C2CC2)n1 308643808 573621849 /nfs/dbraw/zinc/62/18/49/573621849.db2.gz GJEDBKDDPVVCMZ-ZETCQYMHSA-N 0 0 196.250 1.022 10 0 ADAERN C[C@H]1c2ccc(F)cc2N[C@@H]1CO 107459767 573621857 /nfs/dbraw/zinc/62/18/57/573621857.db2.gz SLYWEZDUTBYBCA-QUBYGPBYSA-N 0 0 181.210 1.716 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@@H]1CC1CC1 107460460 573621871 /nfs/dbraw/zinc/62/18/71/573621871.db2.gz WFXMMMJAHMGMCH-RKDXNWHRSA-N 0 0 183.251 1.239 10 0 ADAERN CC[C@@H](OC(=O)C(C)(C)C)[C@H](C)O 238286219 573621886 /nfs/dbraw/zinc/62/18/86/573621886.db2.gz BTRFSHDUVGKSNX-JGVFFNPUSA-N 0 0 188.267 1.735 10 0 ADAERN CC(C)(C[NH3+])c1ccc(N)c([S-])c1 259530980 573621890 /nfs/dbraw/zinc/62/18/90/573621890.db2.gz QGIAYTMYGFKOQY-UHFFFAOYSA-N 0 0 196.319 1.794 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@H](C)[C@@H](C(=O)[O-])C1 107461235 573621908 /nfs/dbraw/zinc/62/19/08/573621908.db2.gz PYZSBYKWZFALIA-VGMNWLOBSA-N 0 0 185.267 1.341 10 0 ADAERN C[C@@H]1CCC[C@H](N2CC(=O)NC2=O)C1 86785456 573621911 /nfs/dbraw/zinc/62/19/11/573621911.db2.gz ZZJHEKQAMOLHBB-SFYZADRCSA-N 0 0 196.250 1.117 10 0 ADAERN C[C@]1(CCO)C[C@@H]2CCCCCN2O1 238452504 573621921 /nfs/dbraw/zinc/62/19/21/573621921.db2.gz QXRDDDYPJJSIQI-QWRGUYRKSA-N 0 0 199.294 1.707 10 0 ADAERN O[C@H]1OCCOC12CCCCC2 142813671 573621922 /nfs/dbraw/zinc/62/19/22/573621922.db2.gz YDXOOAIIONLYKT-QMMMGPOBSA-N 0 0 172.224 1.055 10 0 ADAERN C[C@@]12CS[C@@](C)(CS1)N2 238452725 573621927 /nfs/dbraw/zinc/62/19/27/573621927.db2.gz YNGDKBYRNNCHIY-WDSKDSINSA-N 0 0 161.295 1.502 10 0 ADAERN CC[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1C(=O)[O-] 107457927 573621970 /nfs/dbraw/zinc/62/19/70/573621970.db2.gz ONYHNPKYLXSPJH-FXQIFTODSA-N 0 0 171.240 1.095 10 0 ADAERN COc1ccc2c(c1)C[C@@H](CO)N2 107459396 573621976 /nfs/dbraw/zinc/62/19/76/573621976.db2.gz ZHIQSQYCPPRPRP-QMMMGPOBSA-N 0 0 179.219 1.024 10 0 ADAERN C[C@@H]1[C@H]2C=CC[C@@H]1C2=O 238451988 573621996 /nfs/dbraw/zinc/62/19/96/573621996.db2.gz DGGNHKHBSQCBAY-QYNIQEEDSA-N 0 0 122.167 1.398 10 0 ADAERN Cc1cc(=O)oc2ccc(CO)cc12 238452838 573622004 /nfs/dbraw/zinc/62/20/04/573622004.db2.gz SADSSEZGXIYYMM-UHFFFAOYSA-N 0 0 190.198 1.594 10 0 ADAERN OC[C@H]1Cc2c(Cl)cccc2N1 107460647 573622009 /nfs/dbraw/zinc/62/20/09/573622009.db2.gz BGIGXFKRYJQKIQ-ZCFIWIBFSA-N 0 0 183.638 1.669 10 0 ADAERN C[C@H]1CC[C@]([NH3+])(C(=O)[O-])CC1(C)C 238452180 573622010 /nfs/dbraw/zinc/62/20/10/573622010.db2.gz RKTIDDLCNRDACA-OIBJUYFYSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H](C[C@H]1CNc2ccccc21)NO 238451976 573622025 /nfs/dbraw/zinc/62/20/25/573622025.db2.gz CRKSITCSMFVPGM-BDAKNGLRSA-N 0 0 192.262 1.953 10 0 ADAERN O=Cc1ccc(O[C@@H]2CCOC2)cn1 86792227 573622058 /nfs/dbraw/zinc/62/20/58/573622058.db2.gz XEHAUDJCWJXJFD-SNVBAGLBSA-N 0 0 193.202 1.062 10 0 ADAERN C[C@@H]1c2ccccc2C(=O)[C@]1(C)O 238451781 573622071 /nfs/dbraw/zinc/62/20/71/573622071.db2.gz OGWNJXITGLESTK-RDDDGLTNSA-N 0 0 176.215 1.737 10 0 ADAERN C[C@H]1C[C@H]2CCC(=O)[C@@H]12 238452692 573622079 /nfs/dbraw/zinc/62/20/79/573622079.db2.gz JRVKKSUVNIDTRJ-BBVRLYRLSA-N 0 0 124.183 1.622 10 0 ADAERN Nc1nc(-c2ccc(CO)cc2)co1 257834207 573622080 /nfs/dbraw/zinc/62/20/80/573622080.db2.gz KJMGVVAMIKMTNU-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Cc1sc(=N)n(C[C@H](C)O)c1C 238452915 573622108 /nfs/dbraw/zinc/62/21/08/573622108.db2.gz DMVYAEYCEXXTJO-YFKPBYRVSA-N 0 0 186.280 1.027 10 0 ADAERN COc1cc2c[nH]nc2cc1C=O 259532286 573622111 /nfs/dbraw/zinc/62/21/11/573622111.db2.gz RSCFYHFYANAYAA-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN CC(C)c1nnc(N)nc1C(C)C 75570285 573622113 /nfs/dbraw/zinc/62/21/13/573622113.db2.gz IHVGAZYVYCSXTF-UHFFFAOYSA-N 0 0 180.255 1.701 10 0 ADAERN C[C@@H]1CCCCN1C[C@@H](F)C[NH3+] 238451554 573622114 /nfs/dbraw/zinc/62/21/14/573622114.db2.gz ARNUCGDWZGHCNS-BDAKNGLRSA-N 0 0 174.263 1.158 10 0 ADAERN CCn1cc(C[C@@H](C)C(=O)OC)cn1 259532135 573622139 /nfs/dbraw/zinc/62/21/39/573622139.db2.gz RPOUFLNHMUUMML-MRVPVSSYSA-N 0 0 196.250 1.255 10 0 ADAERN Cn1cc(Nc2cccc(F)n2)cn1 86781016 573622140 /nfs/dbraw/zinc/62/21/40/573622140.db2.gz PIGLKJLISFEBBN-UHFFFAOYSA-N 0 0 192.197 1.698 10 0 ADAERN Nc1nonc1CCc1ccccc1 107462061 573622147 /nfs/dbraw/zinc/62/21/47/573622147.db2.gz FHZMUWOKJJDXLL-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN CC[C@H](C)CN1C[C@H](C)C(=O)NC1=O 86785942 573622148 /nfs/dbraw/zinc/62/21/48/573622148.db2.gz XWRJIOCGHADBMQ-YUMQZZPRSA-N 0 0 198.266 1.220 10 0 ADAERN Nc1cc2oc(=O)ccc2cc1F 75568967 573622150 /nfs/dbraw/zinc/62/21/50/573622150.db2.gz PTWGFCXCMSNAKY-UHFFFAOYSA-N 0 0 179.150 1.514 10 0 ADAERN COc1cccc2c1C[C@H](CO)N2 107459389 573622156 /nfs/dbraw/zinc/62/21/56/573622156.db2.gz FXMHXEXGMCPRPQ-SSDOTTSWSA-N 0 0 179.219 1.024 10 0 ADAERN Cc1cc(=O)oc2ccc(N)c(O)c12 238452872 573622157 /nfs/dbraw/zinc/62/21/57/573622157.db2.gz IPKZNZHKZNKYOD-UHFFFAOYSA-N 0 0 191.186 1.389 10 0 ADAERN Nc1cccnc1Cc1cccnc1 107461081 573622164 /nfs/dbraw/zinc/62/21/64/573622164.db2.gz VJWSOTRTBSNWPN-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN COC(=O)[C@H](C)Cc1cncs1 259531076 573622168 /nfs/dbraw/zinc/62/21/68/573622168.db2.gz AAKMVBRVOSADQW-ZCFIWIBFSA-N 0 0 185.248 1.495 10 0 ADAERN Clc1nnnc2scnc12 259533250 573622175 /nfs/dbraw/zinc/62/21/75/573622175.db2.gz BGRKUTQXVOSAIV-UHFFFAOYSA-N 0 0 172.600 1.135 10 0 ADAERN O=C1CCOC[C@H]1CC[C@H]1CCCO1 236414003 573622182 /nfs/dbraw/zinc/62/21/82/573622182.db2.gz FQDZQHRHLYAQSM-NXEZZACHSA-N 0 0 198.262 1.551 10 0 ADAERN C[C@H](NOC(C)(C)C)c1cn[nH]c1 393543479 573622198 /nfs/dbraw/zinc/62/21/98/573622198.db2.gz AWGHFJHWMPLHNB-ZETCQYMHSA-N 0 0 183.255 1.790 10 0 ADAERN C[C@@H]1CN=C(c2cccs2)C(=O)N1 238451489 573622208 /nfs/dbraw/zinc/62/22/08/573622208.db2.gz LBQSZPYRUUPHFK-ZCFIWIBFSA-N 0 0 194.259 1.056 10 0 ADAERN O=CC(=O)Cc1ccc(Cl)cc1 142795516 573622220 /nfs/dbraw/zinc/62/22/20/573622220.db2.gz DIGKGIQOKNDEDD-UHFFFAOYSA-N 0 0 182.606 1.651 10 0 ADAERN C[C@H]1C[C@H]2CCC[C@@H](C1=O)C2=O 238452844 573622227 /nfs/dbraw/zinc/62/22/27/573622227.db2.gz PNGVHHIIUVBEPO-RNJXMRFFSA-N 0 0 166.220 1.581 10 0 ADAERN CCCc1nc(Cn2ccnc2)n[nH]1 308644127 573622238 /nfs/dbraw/zinc/62/22/38/573622238.db2.gz FZCNAOPWAUKMOV-UHFFFAOYSA-N 0 0 191.238 1.002 10 0 ADAERN CCC[C@H](C)N1C[C@@H](C)C(=O)NC1=O 86784899 573622251 /nfs/dbraw/zinc/62/22/51/573622251.db2.gz LOKGJKHZOXAXPM-SFYZADRCSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)[C@@H](C)N1C[C@H](C)C(=O)NC1=O 86784681 573622258 /nfs/dbraw/zinc/62/22/58/573622258.db2.gz GSEUKGYWTOBCOG-JGVFFNPUSA-N 0 0 198.266 1.219 10 0 ADAERN COc1ncc(N)c(C(F)F)n1 257834136 573622260 /nfs/dbraw/zinc/62/22/60/573622260.db2.gz KNXDEAKLJRAEDB-UHFFFAOYSA-N 0 0 175.138 1.005 10 0 ADAERN CC(C)CCC[C@H](NN)c1cn[nH]c1 308658616 573622267 /nfs/dbraw/zinc/62/22/67/573622267.db2.gz OSLJPHJRXQDKNK-JTQLQIEISA-N 0 0 196.298 1.740 10 0 ADAERN OC[C@H]1Cc2cc(Cl)ccc2N1 107460653 573622272 /nfs/dbraw/zinc/62/22/72/573622272.db2.gz PEMJMUKQGJWPHC-MRVPVSSYSA-N 0 0 183.638 1.669 10 0 ADAERN C[C@H]1CC[C@]1(C(N)=O)c1ccccc1 238452546 573621475 /nfs/dbraw/zinc/62/14/75/573621475.db2.gz NYBUGNOXCMMUEU-JOYOIKCWSA-N 0 0 189.258 1.840 10 0 ADAERN OCC[C@H]1CCc2cc(O)ccc21 257834223 573625201 /nfs/dbraw/zinc/62/52/01/573625201.db2.gz KQIMTEMWKWVMAF-MRVPVSSYSA-N 0 0 178.231 1.804 10 0 ADAERN CCC(CC)CN1C[C@@H](CO)CC1=O 130542574 573625205 /nfs/dbraw/zinc/62/52/05/573625205.db2.gz SMVQRRNNCFCEMF-JTQLQIEISA-N 0 0 199.294 1.263 10 0 ADAERN COC(=O)[C@@H](F)C(=O)C1CCCC1 257837937 573625207 /nfs/dbraw/zinc/62/52/07/573625207.db2.gz LEKKZJVKHNFTFV-ZETCQYMHSA-N 0 0 188.198 1.257 10 0 ADAERN CC[C@](C)([NH3+])c1nnc(C(C)C)[nH]1 86800216 573625228 /nfs/dbraw/zinc/62/52/28/573625228.db2.gz VKSIGQVFKWUJMB-VIFPVBQESA-N 0 0 182.271 1.512 10 0 ADAERN Nc1cnn(C2CC2)c1Cl 224430958 573625239 /nfs/dbraw/zinc/62/52/39/573625239.db2.gz WJPFGTAYQSXKJM-UHFFFAOYSA-N 0 0 157.604 1.454 10 0 ADAERN COC(=O)[C@H](F)[C@@H]1CCCSC1 257834170 573625245 /nfs/dbraw/zinc/62/52/45/573625245.db2.gz KILQZQIBKBHDNW-RNFRBKRXSA-N 0 0 192.255 1.641 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[N@@H+]1CC[C@@H]1C 86799095 573625258 /nfs/dbraw/zinc/62/52/58/573625258.db2.gz DBWFYVVBHININS-CBAPKCEASA-N 0 0 171.240 1.334 10 0 ADAERN CO[C@](C)(CO)Cc1cccc(C)c1 257837916 573625259 /nfs/dbraw/zinc/62/52/59/573625259.db2.gz LDKGZTLTNQKGGO-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN CCC[NH2+]Cc1nnc(C(C)(C)C)o1 50615838 573625287 /nfs/dbraw/zinc/62/52/87/573625287.db2.gz NGOWUHUSADMQRY-UHFFFAOYSA-N 0 0 197.282 1.867 10 0 ADAERN O=Cc1cscc1-c1ncon1 75569788 573625318 /nfs/dbraw/zinc/62/53/18/573625318.db2.gz HDDUPPUTLUQACY-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN OCc1cc(Cl)c(Cl)nn1 259531711 573625332 /nfs/dbraw/zinc/62/53/32/573625332.db2.gz UMMJLRLNHJWKIW-UHFFFAOYSA-N 0 0 179.006 1.276 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@@H]1OCCC[C@H]1CO 714720152 573625339 /nfs/dbraw/zinc/62/53/39/573625339.db2.gz KNQGBMGSJRZMMU-YTWAJWBKSA-N 0 0 184.279 1.820 10 0 ADAERN FCc1ccncc1F 257837844 573625363 /nfs/dbraw/zinc/62/53/63/573625363.db2.gz MQTNZXQGYZTLIB-UHFFFAOYSA-N 0 0 129.109 1.690 10 0 ADAERN CC(C)n1oc(=O)c2cccc(N)c21 257837924 573625392 /nfs/dbraw/zinc/62/53/92/573625392.db2.gz LDYBBEQRFZRRCW-UHFFFAOYSA-N 0 0 192.218 1.758 10 0 ADAERN C[C@H](F)[C@@]1(CC(=O)[O-])CCC[NH2+]C1 259530259 573625396 /nfs/dbraw/zinc/62/53/96/573625396.db2.gz BAUSEVOIDBPADB-IONNQARKSA-N 0 0 189.230 1.189 10 0 ADAERN CC(=O)[C@@H]1CC[C@@](C)(O)[C@@H]1C 238453250 573625397 /nfs/dbraw/zinc/62/53/97/573625397.db2.gz UIJZSWGKORMKNW-FTLITQJKSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1ccc(C)c(CS(C)(=O)=O)n1 238453844 573625404 /nfs/dbraw/zinc/62/54/04/573625404.db2.gz WUIKXKLVBGGSJI-UHFFFAOYSA-N 0 0 199.275 1.243 10 0 ADAERN CCC(CC)CNC(=O)OCCO 130547203 573625430 /nfs/dbraw/zinc/62/54/30/573625430.db2.gz GKRNCHRRUISXFT-UHFFFAOYSA-N 0 0 189.255 1.141 10 0 ADAERN Cc1nc2ccc(N)c(N)c2s1 75569470 573625438 /nfs/dbraw/zinc/62/54/38/573625438.db2.gz RBFVCKBGMGPJIT-UHFFFAOYSA-N 0 0 179.248 1.769 10 0 ADAERN C[C@H](CC(C)(C)O)[C@@H]1CCC(=O)N1 238453587 573625441 /nfs/dbraw/zinc/62/54/41/573625441.db2.gz KTYPPFLABDSCKO-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN CC[C@H](CO)C(=O)CC(C)C 259132627 573625458 /nfs/dbraw/zinc/62/54/58/573625458.db2.gz MPVGUHNXKWFHOT-MRVPVSSYSA-N 0 0 158.241 1.620 10 0 ADAERN Cc1c(CCCO)cnn1C1CCC1 257834109 573625473 /nfs/dbraw/zinc/62/54/73/573625473.db2.gz KGRSCVGLHVNFCD-UHFFFAOYSA-N 0 0 194.278 1.841 10 0 ADAERN Cc1ccc2c(c1)[C@]([NH3+])(C(=O)[O-])CC2 96554500 573625485 /nfs/dbraw/zinc/62/54/85/573625485.db2.gz PDBWMLDVQCZGTQ-NSHDSACASA-N 0 0 191.230 1.180 10 0 ADAERN Cc1cc(-c2cc[nH]c2)n[nH]1 259132995 573625488 /nfs/dbraw/zinc/62/54/88/573625488.db2.gz SOECCGMLSVUQRF-UHFFFAOYSA-N 0 0 147.181 1.713 10 0 ADAERN C[C@]1(CO)CCN(CC(F)(F)F)C1 107464167 573625495 /nfs/dbraw/zinc/62/54/95/573625495.db2.gz MXCSQKWUOITDBY-ZETCQYMHSA-N 0 0 197.200 1.253 10 0 ADAERN CC(=O)[C@@H]1CC[C@](C)(O)[C@@H]1C 238453278 573625496 /nfs/dbraw/zinc/62/54/96/573625496.db2.gz UIJZSWGKORMKNW-VDAHYXPESA-N 0 0 156.225 1.373 10 0 ADAERN CC[C@@](C)([NH3+])c1nc(C(C)(C)C)no1 86798091 573625497 /nfs/dbraw/zinc/62/54/97/573625497.db2.gz BWWHQWPYADCOIC-SNVBAGLBSA-N 0 0 197.282 1.951 10 0 ADAERN C[C@H](O)N1C(=O)C[C@@H]1c1ccccc1 238453623 573625501 /nfs/dbraw/zinc/62/55/01/573625501.db2.gz AUTSKBXDBJSORI-WCBMZHEXSA-N 0 0 191.230 1.298 10 0 ADAERN C[C@@]12C[C@@H]1CCC[C@@H]2O 238454196 573625511 /nfs/dbraw/zinc/62/55/11/573625511.db2.gz BJNQHZNTLGBLAP-BIIVOSGPSA-N 0 0 126.199 1.557 10 0 ADAERN C[C@H]1CCC(C=O)c2nccc(=O)n21 238454294 573625519 /nfs/dbraw/zinc/62/55/19/573625519.db2.gz URZHTRZHMHNTBT-VQKCLUMFSA-N 0 0 192.218 1.497 10 0 ADAERN Cc1cccc2c(CO)cc(=O)[nH]c12 238453835 573625525 /nfs/dbraw/zinc/62/55/25/573625525.db2.gz QAEUHIZVGDXHTE-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN C[C@H](O)c1nc2ccccc2cc1O 238453493 573625531 /nfs/dbraw/zinc/62/55/31/573625531.db2.gz BYTUDBWKONVACV-ZETCQYMHSA-N 0 0 189.214 1.994 10 0 ADAERN OC[C@@]1(O)CCc2ccc(F)cc2C1 257834153 573625548 /nfs/dbraw/zinc/62/55/48/573625548.db2.gz KHWUBCWZMFVYGQ-LLVKDONJSA-N 0 0 196.221 1.038 10 0 ADAERN C[C@H]1CCC[C@@](C)(CO)C1=O 238454344 573625550 /nfs/dbraw/zinc/62/55/50/573625550.db2.gz VGXUJODQPCSKRW-CBAPKCEASA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H]1CCC[C@@](C)(O)CC1=O 238454397 573625566 /nfs/dbraw/zinc/62/55/66/573625566.db2.gz AQJNQVNLJRVXST-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN CCCCN1C=CSCC1=O 96540383 573625569 /nfs/dbraw/zinc/62/55/69/573625569.db2.gz SFZOLCUCOYMORQ-UHFFFAOYSA-N 0 0 171.265 1.833 10 0 ADAERN CC[C@](C)([NH3+])c1nc(C2CCC2)no1 86798197 573625576 /nfs/dbraw/zinc/62/55/76/573625576.db2.gz XGENTGQCLRBQJX-JTQLQIEISA-N 0 0 195.266 1.921 10 0 ADAERN CO[C@@](C)(CO)Cc1cccc(C)c1 257837915 573625582 /nfs/dbraw/zinc/62/55/82/573625582.db2.gz LDKGZTLTNQKGGO-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN C[C@H]1CC(=O)NC2=C1CCC2 238453881 573625584 /nfs/dbraw/zinc/62/55/84/573625584.db2.gz JBZPYCJZZRCUJH-LURJTMIESA-N 0 0 151.209 1.580 10 0 ADAERN CCc1nc(N)oc1[C@@H]1CC[N@H+](C)C1 259132551 573625587 /nfs/dbraw/zinc/62/55/87/573625587.db2.gz LWEYDRCCRVJSOO-SSDOTTSWSA-N 0 0 195.266 1.238 10 0 ADAERN O=Cc1ccc(-c2ncon2)s1 75569784 573625595 /nfs/dbraw/zinc/62/55/95/573625595.db2.gz BTXWDTQOXZYMSE-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN OC[C@]1(O)CCc2ccc(F)cc2C1 257834155 573625602 /nfs/dbraw/zinc/62/56/02/573625602.db2.gz KHWUBCWZMFVYGQ-NSHDSACASA-N 0 0 196.221 1.038 10 0 ADAERN CC[C@@](C)([NH3+])c1nc(C2CCC2)no1 86798199 573625604 /nfs/dbraw/zinc/62/56/04/573625604.db2.gz XGENTGQCLRBQJX-SNVBAGLBSA-N 0 0 195.266 1.921 10 0 ADAERN Nc1nc2c(N)ccc(N)c2s1 75570044 573625605 /nfs/dbraw/zinc/62/56/05/573625605.db2.gz SOKSKGDRDYFKNR-UHFFFAOYSA-N 0 0 180.236 1.043 10 0 ADAERN CC(C)C[C@@H]1[NH2+]C[C@H](C)C[C@H]1C(=O)[O-] 107465798 573625606 /nfs/dbraw/zinc/62/56/06/573625606.db2.gz PYXLASGMEKENON-BBBLOLIVSA-N 0 0 199.294 1.731 10 0 ADAERN O=C1c2ccccc2CN1CCF 96550040 573625608 /nfs/dbraw/zinc/62/56/08/573625608.db2.gz ITVWTWOEOLFNJL-UHFFFAOYSA-N 0 0 179.194 1.612 10 0 ADAERN CO[C@@H]1CNc2ccc(F)cc2C1 257834197 573625618 /nfs/dbraw/zinc/62/56/18/573625618.db2.gz KPZQQBWAOJECCB-VIFPVBQESA-N 0 0 181.210 1.809 10 0 ADAERN CC[C@H](CO)C(=O)C1CCCC1 259132590 573625620 /nfs/dbraw/zinc/62/56/20/573625620.db2.gz MPJXPCHOGCSNOF-MRVPVSSYSA-N 0 0 170.252 1.764 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[NH+]1CC(C)C1 86799039 573625660 /nfs/dbraw/zinc/62/56/60/573625660.db2.gz OFEIILCISLAVLE-VIFPVBQESA-N 0 0 171.240 1.191 10 0 ADAERN NOCc1coc2cccc(F)c12 258072223 573625688 /nfs/dbraw/zinc/62/56/88/573625688.db2.gz GWURGUBWOGHTBJ-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN CCc1nc(N)oc1[C@H]1CC[N@H+](C)C1 259132555 573625725 /nfs/dbraw/zinc/62/57/25/573625725.db2.gz LWEYDRCCRVJSOO-ZETCQYMHSA-N 0 0 195.266 1.238 10 0 ADAERN C[C@H]1CC(=O)c2ccc(O)cc2O1 75568261 573625728 /nfs/dbraw/zinc/62/57/28/573625728.db2.gz CNOJMNDAJUZLGJ-LURJTMIESA-N 0 0 178.187 1.746 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 107464382 573625742 /nfs/dbraw/zinc/62/57/42/573625742.db2.gz WTNCJVVDQNTCIE-BBBLOLIVSA-N 0 0 197.278 1.582 10 0 ADAERN CNC1(C(=O)OC2CCC2)CCCC1 308659500 573625744 /nfs/dbraw/zinc/62/57/44/573625744.db2.gz PANKTCUMRWMPMR-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN C[C@H](O)Cn1ncc2ccc(O)cc21 238453179 573625757 /nfs/dbraw/zinc/62/57/57/573625757.db2.gz XQWCJTYQNCOVBM-ZETCQYMHSA-N 0 0 192.218 1.123 10 0 ADAERN CCC(CC)[C@H]1CC[N@H+](CC(=O)[O-])C1 308650502 573625775 /nfs/dbraw/zinc/62/57/75/573625775.db2.gz KDSFUBOHGQSURP-JTQLQIEISA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)C[C@@H](C)NC(C)=S 238454229 573625779 /nfs/dbraw/zinc/62/57/79/573625779.db2.gz HULGFQXFPXXDPR-RXMQYKEDSA-N 0 0 159.254 1.291 10 0 ADAERN CC[C@@H](F)CCO 78518585 573625788 /nfs/dbraw/zinc/62/57/88/573625788.db2.gz XOFAMHBRBMRCPR-RXMQYKEDSA-N 0 0 106.140 1.117 10 0 ADAERN CCCc1[nH+]cc2n1C[C@@H](CO)CC2 258412505 573625790 /nfs/dbraw/zinc/62/57/90/573625790.db2.gz VMYOQWMEEBNRMN-VIFPVBQESA-N 0 0 194.278 1.390 10 0 ADAERN C[C@H]1CC(=O)NC2=C1CCCC2 238453892 573625793 /nfs/dbraw/zinc/62/57/93/573625793.db2.gz MVXHOCQAUNCTMI-ZETCQYMHSA-N 0 0 165.236 1.971 10 0 ADAERN Cn1cc(NCNN)c2ccccc21 259132336 573625821 /nfs/dbraw/zinc/62/58/21/573625821.db2.gz QTQBLRMSHUTRFG-UHFFFAOYSA-N 0 0 190.250 1.011 10 0 ADAERN C[Si](C)(C)c1ccc(CCO)o1 238453058 573625841 /nfs/dbraw/zinc/62/58/41/573625841.db2.gz LHJYIVAFLFETMU-UHFFFAOYSA-N 0 0 184.311 1.360 10 0 ADAERN Cc1ccc(COCCO)c(C)c1 96541990 573625866 /nfs/dbraw/zinc/62/58/66/573625866.db2.gz VVVOXYGJEKGCBL-UHFFFAOYSA-N 0 0 180.247 1.812 10 0 ADAERN O=Cc1nn(C2CC2)c2c1CCOC2 257837941 573625874 /nfs/dbraw/zinc/62/58/74/573625874.db2.gz LENWMAJGANWSAP-UHFFFAOYSA-N 0 0 192.218 1.103 10 0 ADAERN CN(c1cccc(F)n1)[C@@H]1CCOC1 96523321 573625886 /nfs/dbraw/zinc/62/58/86/573625886.db2.gz HSJBMIHZJSQJQJ-MRVPVSSYSA-N 0 0 196.225 1.446 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@@H]1OCCC[C@@H]1CO 714720148 573625923 /nfs/dbraw/zinc/62/59/23/573625923.db2.gz KNQGBMGSJRZMMU-DBIOUOCHSA-N 0 0 184.279 1.820 10 0 ADAERN Cc1nc2sc([C@H](C)O)c(C)n2n1 238453802 573625928 /nfs/dbraw/zinc/62/59/28/573625928.db2.gz XBMIFOGTACGILN-YFKPBYRVSA-N 0 0 197.263 1.461 10 0 ADAERN CC[C@](C)(O)C(=O)C[C@@H](C)OC 238290036 573627746 /nfs/dbraw/zinc/62/77/46/573627746.db2.gz PAOPMTHMKUWFHD-APPZFPTMSA-N 0 0 174.240 1.142 10 0 ADAERN CC[C@@](C)([NH3+])c1nnc(C2CC2)[nH]1 86800233 573627750 /nfs/dbraw/zinc/62/77/50/573627750.db2.gz LMNQTYXWUADBPC-SECBINFHSA-N 0 0 180.255 1.266 10 0 ADAERN CCCN1C=CSCC1=O 96540382 573627053 /nfs/dbraw/zinc/62/70/53/573627053.db2.gz IAGKFKONGONJLF-UHFFFAOYSA-N 0 0 157.238 1.443 10 0 ADAERN Cc1cnc([C@H]2CC[C@@H](CO)CN2)o1 107463859 573627058 /nfs/dbraw/zinc/62/70/58/573627058.db2.gz NMNRHUWARFAYAY-RKDXNWHRSA-N 0 0 196.250 1.016 10 0 ADAERN CSc1cccc2c1C[C@H](CO)N2 107463738 573627067 /nfs/dbraw/zinc/62/70/67/573627067.db2.gz LDEPVNQJAUJWNK-SSDOTTSWSA-N 0 0 195.287 1.737 10 0 ADAERN CC[C@](C)(Nc1cc[nH+]cc1)C(=O)[O-] 86797228 573627082 /nfs/dbraw/zinc/62/70/82/573627082.db2.gz VLLZHVODOBFULE-JTQLQIEISA-N 0 0 194.234 1.747 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]2CCCCC[C@@H]2C1 107464393 573627083 /nfs/dbraw/zinc/62/70/83/573627083.db2.gz HUVCTWJQMLQXJO-KXUCPTDWSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@@H]1C(C(N)=O)=C[C@H]2C[C@@H]1C2(C)C 238453859 573627085 /nfs/dbraw/zinc/62/70/85/573627085.db2.gz YRNWEMGXDYHFDL-FJXKBIBVSA-N 0 0 179.263 1.710 10 0 ADAERN COC(=O)CC[C@@H]1CCCO[C@@H]1C 259533673 573627086 /nfs/dbraw/zinc/62/70/86/573627086.db2.gz FONFIQPXWGPNOL-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN CCOC(=O)C1C[C@@H]2CC[C@H]2C1 259535106 573627100 /nfs/dbraw/zinc/62/71/00/573627100.db2.gz FQQOUNDMDLKOFI-YUMQZZPRSA-N 0 0 168.236 1.986 10 0 ADAERN C[C@H]1CC[C@H](c2nccc(=O)[nH]2)C1 83782763 573627102 /nfs/dbraw/zinc/62/71/02/573627102.db2.gz JCZAFFHLELEAKM-YUMQZZPRSA-N 0 0 178.235 1.674 10 0 ADAERN CC[C@@H](CO)C(=O)CC(C)C 259132631 573627120 /nfs/dbraw/zinc/62/71/20/573627120.db2.gz MPVGUHNXKWFHOT-QMMMGPOBSA-N 0 0 158.241 1.620 10 0 ADAERN Cn1ccnc1-c1ccc(O)c(F)c1 96551233 573627148 /nfs/dbraw/zinc/62/71/48/573627148.db2.gz FXQQVVYYGGAMRI-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](C2CCCC2)[NH2+]C1 107464390 573627155 /nfs/dbraw/zinc/62/71/55/573627155.db2.gz QXTGMLPHBDKIHH-ZJUUUORDSA-N 0 0 197.278 1.629 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@H]1c1ccco1 107463561 573627163 /nfs/dbraw/zinc/62/71/63/573627163.db2.gz CPZQWCIDMPBSNB-VXNVDRBHSA-N 0 0 195.218 1.405 10 0 ADAERN C[C@H](CC(C)(C)C)[C@H](O)CO 238453048 573627180 /nfs/dbraw/zinc/62/71/80/573627180.db2.gz TWUHFMINHTXLEF-HTQZYQBOSA-N 0 0 160.257 1.412 10 0 ADAERN CCONC[C@@H]1CCSC1 224453890 573627188 /nfs/dbraw/zinc/62/71/88/573627188.db2.gz USPZJQBDDGXIDA-ZETCQYMHSA-N 0 0 161.270 1.281 10 0 ADAERN C[C@H]1CC[C@H](c2ncc(N)cn2)C1 83781903 573627212 /nfs/dbraw/zinc/62/72/12/573627212.db2.gz PNLKFPCTFFIIRJ-YUMQZZPRSA-N 0 0 177.251 1.962 10 0 ADAERN CC(=O)CCNC(=O)[C@@H]1C[C@H]1C1CC1 716020534 573627216 /nfs/dbraw/zinc/62/72/16/573627216.db2.gz QBQYVGDHQSZQMV-VHSXEESVSA-N 0 0 195.262 1.128 10 0 ADAERN Cc1cnc2[nH]c([C@@H](C)O)nc2c1 86796024 573627232 /nfs/dbraw/zinc/62/72/32/573627232.db2.gz DSRYCSJXABLRND-ZCFIWIBFSA-N 0 0 177.207 1.320 10 0 ADAERN CNCc1nc([C@H]2CC[C@H](C)C2)no1 83781341 573627234 /nfs/dbraw/zinc/62/72/34/573627234.db2.gz AHRLMLLYIDANDV-YUMQZZPRSA-N 0 0 195.266 1.693 10 0 ADAERN C[C@@H]1CN[C@@H](C(F)(F)F)[C@H](CO)C1 107464185 573627246 /nfs/dbraw/zinc/62/72/46/573627246.db2.gz KXBYPQHWGFFVFZ-LYFYHCNISA-N 0 0 197.200 1.155 10 0 ADAERN C[C@H]1CC[C@@H](c2ncc(N)cn2)C1 83781907 573627250 /nfs/dbraw/zinc/62/72/50/573627250.db2.gz PNLKFPCTFFIIRJ-JGVFFNPUSA-N 0 0 177.251 1.962 10 0 ADAERN COCN1Cc2ccccc2C1=O 96549947 573627255 /nfs/dbraw/zinc/62/72/55/573627255.db2.gz KLPOYSRQEWYEOT-UHFFFAOYSA-N 0 0 177.203 1.246 10 0 ADAERN O=C(OCC(F)(F)F)c1ccon1 393543919 573627264 /nfs/dbraw/zinc/62/72/64/573627264.db2.gz AGQUITHAQPWULG-UHFFFAOYSA-N 0 0 195.096 1.394 10 0 ADAERN C[C@H](O)SCC(F)(F)F 238454419 573627286 /nfs/dbraw/zinc/62/72/86/573627286.db2.gz JIEYJEPZRURHRE-GSVOUGTGSA-N 0 0 160.160 1.620 10 0 ADAERN CSc1cccc2c1C[C@@H](CO)N2 107463740 573627305 /nfs/dbraw/zinc/62/73/05/573627305.db2.gz LDEPVNQJAUJWNK-ZETCQYMHSA-N 0 0 195.287 1.737 10 0 ADAERN CC[C@](C)([NH3+])c1nnc2ccccn12 86797945 573627315 /nfs/dbraw/zinc/62/73/15/573627315.db2.gz FLMGOQSLAFWTRF-JTQLQIEISA-N 0 0 190.250 1.313 10 0 ADAERN CCOc1cc(N)c2ncccc2n1 75579137 573627321 /nfs/dbraw/zinc/62/73/21/573627321.db2.gz XHMMZLFDXVKABC-UHFFFAOYSA-N 0 0 189.218 1.611 10 0 ADAERN CC[C@](C)(C(=O)[O-])[NH+]1CC2(CC2)C1 86799068 573627324 /nfs/dbraw/zinc/62/73/24/573627324.db2.gz GZLFHJUDEWWVII-SECBINFHSA-N 0 0 183.251 1.336 10 0 ADAERN Cc1cccc2c(CO)c(CO)oc12 238453803 573627326 /nfs/dbraw/zinc/62/73/26/573627326.db2.gz PWBHAMVXWWGEDY-UHFFFAOYSA-N 0 0 192.214 1.726 10 0 ADAERN CC[C@@](C)([NH3+])c1nnc2ccccn12 86797946 573627332 /nfs/dbraw/zinc/62/73/32/573627332.db2.gz FLMGOQSLAFWTRF-SNVBAGLBSA-N 0 0 190.250 1.313 10 0 ADAERN C[C@@H]1CC[C@H](c2nc(N)cc(=O)[nH]2)C1 83781626 573627760 /nfs/dbraw/zinc/62/77/60/573627760.db2.gz VDZFJBGKAJUPRM-RQJHMYQMSA-N 0 0 193.250 1.256 10 0 ADAERN CC[C@@H]1[NH2+]C[C@@H](C2CC2)C[C@@H]1C(=O)[O-] 107464489 573627335 /nfs/dbraw/zinc/62/73/35/573627335.db2.gz AVYYLUURZSDNAE-GUBZILKMSA-N 0 0 197.278 1.485 10 0 ADAERN NOCC(F)(F)c1ccccc1O 259533398 573627339 /nfs/dbraw/zinc/62/73/39/573627339.db2.gz BHHNHIAJWLGIIU-UHFFFAOYSA-N 0 0 189.161 1.374 10 0 ADAERN O=C1C[C@@H](C2CCSCC2)CN1 257834239 573627343 /nfs/dbraw/zinc/62/73/43/573627343.db2.gz KQUKAVUSSYASCT-MRVPVSSYSA-N 0 0 185.292 1.266 10 0 ADAERN C[C@H]1c2ccccc2CC[C@H]1C(N)=O 238453507 573627363 /nfs/dbraw/zinc/62/73/63/573627363.db2.gz BYVOWAFEWYQBOY-GZMMTYOYSA-N 0 0 189.258 1.838 10 0 ADAERN Oc1cnccc1-c1ccncc1O 75578295 573627369 /nfs/dbraw/zinc/62/73/69/573627369.db2.gz JDWBRJSCWMWGPP-UHFFFAOYSA-N 0 0 188.186 1.555 10 0 ADAERN COc1ccc(C[C@H](C)ON)cc1 259534198 573627386 /nfs/dbraw/zinc/62/73/86/573627386.db2.gz USHVSUZZYAXLFV-QMMMGPOBSA-N 0 0 181.235 1.517 10 0 ADAERN OCc1nc(C2CCCCCC2)no1 83780065 573627389 /nfs/dbraw/zinc/62/73/89/573627389.db2.gz XBUFEFGBHBTCHZ-UHFFFAOYSA-N 0 0 196.250 2.000 10 0 ADAERN Cc1cnc2[nH]c(CCCO)nc2c1 86796109 573627399 /nfs/dbraw/zinc/62/73/99/573627399.db2.gz HBQGDARDSJHMST-UHFFFAOYSA-N 0 0 191.234 1.191 10 0 ADAERN C[C@@H]1CC[C@@H]2[C@H](C[NH2+]C[C@@H]2C(=O)[O-])C1 107464357 573627400 /nfs/dbraw/zinc/62/74/00/573627400.db2.gz ONJYCZOMDSUYHK-RGOKHQFPSA-N 0 0 197.278 1.343 10 0 ADAERN CSc1ccccc1CNO 258072597 573627410 /nfs/dbraw/zinc/62/74/10/573627410.db2.gz UROAKHIPICKQGG-UHFFFAOYSA-N 0 0 169.249 1.887 10 0 ADAERN CC(C)CCC[C@@H]1COC[C@H]1O 687963416 573627413 /nfs/dbraw/zinc/62/74/13/573627413.db2.gz AJXBZXQZYOIMPY-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cccc2c(CO)ncnc12 238453909 573627431 /nfs/dbraw/zinc/62/74/31/573627431.db2.gz UJSHKKJBQGHGDV-UHFFFAOYSA-N 0 0 174.203 1.431 10 0 ADAERN CCc1noc([C@@](C)([NH3+])CC)n1 86798062 573627440 /nfs/dbraw/zinc/62/74/40/573627440.db2.gz MWCWFTUKOKXPSZ-QMMMGPOBSA-N 0 0 169.228 1.216 10 0 ADAERN O=Cc1nc(Cc2ccccc2)no1 75578328 573627442 /nfs/dbraw/zinc/62/74/42/573627442.db2.gz XOZHPLNTLQTBGM-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN O=c1ccccn1C1CCOCC1 96547449 573627459 /nfs/dbraw/zinc/62/74/59/573627459.db2.gz QCHZLBRFOBRPOL-UHFFFAOYSA-N 0 0 179.219 1.200 10 0 ADAERN CC(C)[C@@H](CO)c1cc[nH]c1 259133116 573627460 /nfs/dbraw/zinc/62/74/60/573627460.db2.gz HADSIBYRZGQKHR-SECBINFHSA-N 0 0 153.225 1.747 10 0 ADAERN COc1cc(CO)cc2c1OCC2 258072620 573627474 /nfs/dbraw/zinc/62/74/74/573627474.db2.gz USYDEYKNPRSDOJ-UHFFFAOYSA-N 0 0 180.203 1.122 10 0 ADAERN CC[C@](C)(C(=O)[O-])[N@@H+]1CC[C@@H]1C 86799097 573627487 /nfs/dbraw/zinc/62/74/87/573627487.db2.gz DBWFYVVBHININS-IONNQARKSA-N 0 0 171.240 1.334 10 0 ADAERN CC[C@](C)([NH3+])c1nc2cccnc2[nH]1 86797374 573627502 /nfs/dbraw/zinc/62/75/02/573627502.db2.gz NCKJMWMJABIXFQ-JTQLQIEISA-N 0 0 190.250 1.542 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](C2CCCC2)[NH2+]C1 107464386 573627506 /nfs/dbraw/zinc/62/75/06/573627506.db2.gz QXTGMLPHBDKIHH-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[NH+]1CC(C)(C)C1 86799077 573627527 /nfs/dbraw/zinc/62/75/27/573627527.db2.gz ATADMDZANJMWEG-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN C[Si](C)(C)c1ccccc1CCO 238453684 573627529 /nfs/dbraw/zinc/62/75/29/573627529.db2.gz WKWRUFSDZIZIDM-UHFFFAOYSA-N 0 0 194.350 1.767 10 0 ADAERN CC[C@@](C)([NH3+])c1nc2cc[nH]cc-2n1 86797390 573627535 /nfs/dbraw/zinc/62/75/35/573627535.db2.gz YQEQRPGIRYGFKF-SNVBAGLBSA-N 0 0 190.250 1.542 10 0 ADAERN O[C@@H]1CC=CC=CCC1 135870892 573627563 /nfs/dbraw/zinc/62/75/63/573627563.db2.gz SKIAGJWDPJOZMZ-MRVPVSSYSA-N 0 0 124.183 1.644 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](c2ccco2)[NH2+]C1 107463548 573627566 /nfs/dbraw/zinc/62/75/66/573627566.db2.gz XGGJHPWNMLZJDU-JGVFFNPUSA-N 0 0 195.218 1.405 10 0 ADAERN Cc1cncc(C=O)c1Cl 82406497 573627590 /nfs/dbraw/zinc/62/75/90/573627590.db2.gz IKRDFXBBEMLLBP-UHFFFAOYSA-N 0 0 155.584 1.856 10 0 ADAERN C[Si](C)(C)c1cccnc1N 238453865 573627601 /nfs/dbraw/zinc/62/76/01/573627601.db2.gz GYHKJMDLLMFRNQ-UHFFFAOYSA-N 0 0 166.300 1.209 10 0 ADAERN C[C@@H]1[NH2+]C[C@@H](C(C)(C)C)C[C@@H]1C(=O)[O-] 107465774 573627602 /nfs/dbraw/zinc/62/76/02/573627602.db2.gz WXHLFFYRZFGXFF-CIUDSAMLSA-N 0 0 199.294 1.731 10 0 ADAERN COc1cccc2c1[C@H](C)[C@@H](CO)N2 107463068 573627610 /nfs/dbraw/zinc/62/76/10/573627610.db2.gz YBMSGTZKSNUGBQ-VXNVDRBHSA-N 0 0 193.246 1.585 10 0 ADAERN CCc1c(OC)cc(N)cc1OC 75575658 573627630 /nfs/dbraw/zinc/62/76/30/573627630.db2.gz UMGYOVPTMJBRJS-UHFFFAOYSA-N 0 0 181.235 1.848 10 0 ADAERN C[C@H](CC(C)(C)O)[C@H]1CCC(=O)N1 238453635 573627631 /nfs/dbraw/zinc/62/76/31/573627631.db2.gz KTYPPFLABDSCKO-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@@H]1CCCC[C@@H](NC=O)C1 238454187 573627653 /nfs/dbraw/zinc/62/76/53/573627653.db2.gz IUIRPANCFYFNFA-RKDXNWHRSA-N 0 0 155.241 1.701 10 0 ADAERN CC[C@](C)(C(=O)[O-])[NH+]1CC2(CCC2)C1 86799083 573627704 /nfs/dbraw/zinc/62/77/04/573627704.db2.gz WRBAOOFRXLYWDJ-SNVBAGLBSA-N 0 0 197.278 1.726 10 0 ADAERN C[C@@H]1[C@H](C(N)=O)CCC1(C)C 238453456 573627709 /nfs/dbraw/zinc/62/77/09/573627709.db2.gz KPTCZDMIOSKJFD-RNFRBKRXSA-N 0 0 155.241 1.544 10 0 ADAERN COC(=O)CC[C@H]1CCCO[C@H]1C 259533676 573627727 /nfs/dbraw/zinc/62/77/27/573627727.db2.gz FONFIQPXWGPNOL-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@]12CC(=O)C[C@H](C1)C(=O)C2 238453164 573627733 /nfs/dbraw/zinc/62/77/33/573627733.db2.gz SYNVUSXOJKBTEZ-HZGVNTEJSA-N 0 0 152.193 1.335 10 0 ADAERN CCC[C@H](O)C[C@H]1CCCC(=O)N1 215301634 573627737 /nfs/dbraw/zinc/62/77/37/573627737.db2.gz NSGLLYJNQSOQLM-BDAKNGLRSA-N 0 0 185.267 1.206 10 0 ADAERN Cc1cc2ccc(O)cc2c(=O)n1C 75579038 573627738 /nfs/dbraw/zinc/62/77/38/573627738.db2.gz KLTPNFHYGGRJAA-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN Cc1ccc(C=O)c([C@@H](C)O)c1 258072631 573628086 /nfs/dbraw/zinc/62/80/86/573628086.db2.gz UTGTVAPQCBFLRU-MRVPVSSYSA-N 0 0 164.204 1.861 10 0 ADAERN Cc1cc(CCO)c(O)c(C)c1O 75575891 573628734 /nfs/dbraw/zinc/62/87/34/573628734.db2.gz VTFNHORKLKHVFY-UHFFFAOYSA-N 0 0 182.219 1.249 10 0 ADAERN C[C@H]1CCC[C@@H]2NC(=O)CC[C@@H]12 238453662 573628738 /nfs/dbraw/zinc/62/87/38/573628738.db2.gz MKUNLMNBVAYBDH-CIUDSAMLSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1C[C@H](O)C(C)(C)C1 238454384 573628759 /nfs/dbraw/zinc/62/87/59/573628759.db2.gz ZGZJOIRJSKEWPF-RQJHMYQMSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@@H]1CC[C@@H]2[NH2+]CC[C@@H](C(=O)[O-])[C@@H]2C1 107464556 573628764 /nfs/dbraw/zinc/62/87/64/573628764.db2.gz DHBGYYPERCUWRF-IMSYWVGJSA-N 0 0 197.278 1.485 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+][C@@H]2CCCCC[C@@H]21 107464545 573628776 /nfs/dbraw/zinc/62/87/76/573628776.db2.gz ZXGUAEILQWBIKS-OPRDCNLKSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@@]1(CO)CCN(CC(F)(F)F)C1 107464171 573628793 /nfs/dbraw/zinc/62/87/93/573628793.db2.gz MXCSQKWUOITDBY-SSDOTTSWSA-N 0 0 197.200 1.253 10 0 ADAERN CC(C)C[C@@H]1[NH2+]C[C@H](C)C[C@@H]1C(=O)[O-] 107465792 573628797 /nfs/dbraw/zinc/62/87/97/573628797.db2.gz PYXLASGMEKENON-UTLUCORTSA-N 0 0 199.294 1.731 10 0 ADAERN COC(=O)[C@@H](C)Cc1cnc(C)nc1 259532994 573628828 /nfs/dbraw/zinc/62/88/28/573628828.db2.gz AHAPMCMYXFAUHA-ZETCQYMHSA-N 0 0 194.234 1.137 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1C(C)(C)O 238452953 573628832 /nfs/dbraw/zinc/62/88/32/573628832.db2.gz LTLORINJTGXDDO-RNFRBKRXSA-N 0 0 156.225 1.373 10 0 ADAERN CC[C@](C)([NH3+])c1nc(C2CC2)no1 86798082 573628098 /nfs/dbraw/zinc/62/80/98/573628098.db2.gz IZDPFCWVYNXTJU-VIFPVBQESA-N 0 0 181.239 1.531 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc(N)cc(=O)[nH]2)C1 83781630 573628111 /nfs/dbraw/zinc/62/81/11/573628111.db2.gz VDZFJBGKAJUPRM-RNFRBKRXSA-N 0 0 193.250 1.256 10 0 ADAERN Cc1cnc([C@H]2C[C@H](CO)CCN2)o1 107463881 573628112 /nfs/dbraw/zinc/62/81/12/573628112.db2.gz GFMWDLMNKVUPCR-RKDXNWHRSA-N 0 0 196.250 1.016 10 0 ADAERN C[C@@H]1CC[C@H](c2ncc(N)cn2)C1 83781901 573628137 /nfs/dbraw/zinc/62/81/37/573628137.db2.gz PNLKFPCTFFIIRJ-SFYZADRCSA-N 0 0 177.251 1.962 10 0 ADAERN C[C@H]1CC[C@H](C(N)=S)C1 83781222 573628183 /nfs/dbraw/zinc/62/81/83/573628183.db2.gz SHJBXIUHEBGLRZ-WDSKDSINSA-N 0 0 143.255 1.709 10 0 ADAERN C[C@@H]1C[C@H](O)C(C)(C)CS1 238454421 573628194 /nfs/dbraw/zinc/62/81/94/573628194.db2.gz JWWDUDKDNXMDAZ-RQJHMYQMSA-N 0 0 160.282 1.899 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)C(C)(C)C)C=CO1 238453850 573628204 /nfs/dbraw/zinc/62/82/04/573628204.db2.gz WBDOHXYDQYTKRP-RKDXNWHRSA-N 0 0 197.278 1.840 10 0 ADAERN CCS[C@@H](O)C(=O)c1ccccc1 238289037 573628214 /nfs/dbraw/zinc/62/82/14/573628214.db2.gz URDNCAQTCGJVLF-SNVBAGLBSA-N 0 0 196.271 1.941 10 0 ADAERN Cc1nc(C=O)cn1-c1ccccc1 75577174 573628223 /nfs/dbraw/zinc/62/82/23/573628223.db2.gz IORDIHIQZXHMPR-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN C[Si](C)(C)c1cocc1CCO 238454182 573628230 /nfs/dbraw/zinc/62/82/30/573628230.db2.gz FYXIKQPGCNDNLI-UHFFFAOYSA-N 0 0 184.311 1.360 10 0 ADAERN Cn1cc(Cl)cc(Cl)c1=O 96547719 573628233 /nfs/dbraw/zinc/62/82/33/573628233.db2.gz VZPRLNDQQBDCNZ-UHFFFAOYSA-N 0 0 178.018 1.692 10 0 ADAERN C[C@@H]1CN[C@@](C)(c2ccccn2)O1 258824923 573628252 /nfs/dbraw/zinc/62/82/52/573628252.db2.gz YWEWHULAJOGBFP-PSASIEDQSA-N 0 0 178.235 1.263 10 0 ADAERN C[C@H]1C[C@H]2[C@@H](C1=O)C2(C)C 238454077 573628261 /nfs/dbraw/zinc/62/82/61/573628261.db2.gz WJUCTIQYIHYWRQ-ACZMJKKPSA-N 0 0 138.210 1.868 10 0 ADAERN C[C@@H]1CC[C@H](c2nc(O)cc(=O)[nH]2)C1 83783019 573628263 /nfs/dbraw/zinc/62/82/63/573628263.db2.gz CUBFYQRQSDZHSF-RQJHMYQMSA-N 0 0 194.234 1.379 10 0 ADAERN O=Cc1oncc1CCl 74343272 573628284 /nfs/dbraw/zinc/62/82/84/573628284.db2.gz WDUNANQXHHIFQN-UHFFFAOYSA-N 0 0 145.545 1.226 10 0 ADAERN C[C@@H]1C[C@H](O)C12CC2 238454472 573628288 /nfs/dbraw/zinc/62/82/88/573628288.db2.gz GTJOENUZFRUSID-RITPCOANSA-N 0 0 112.172 1.167 10 0 ADAERN CCOc1nc(N)cc2cnccc12 75579123 573628289 /nfs/dbraw/zinc/62/82/89/573628289.db2.gz SIRVQGJDVYJQPR-UHFFFAOYSA-N 0 0 189.218 1.611 10 0 ADAERN COC(=O)c1cc2c(cc1N)CCN2 259534239 573628296 /nfs/dbraw/zinc/62/82/96/573628296.db2.gz RYCMUWIKXCELOF-UHFFFAOYSA-N 0 0 192.218 1.023 10 0 ADAERN CC[C@](C)([NH3+])c1nc(C(C)C)no1 86798054 573628302 /nfs/dbraw/zinc/62/83/02/573628302.db2.gz IOPOURRFHSPKIH-VIFPVBQESA-N 0 0 183.255 1.777 10 0 ADAERN COCn1nnc2cc(C)c(C)cc21 96548465 573628319 /nfs/dbraw/zinc/62/83/19/573628319.db2.gz SCIYLNLMQUQHAU-UHFFFAOYSA-N 0 0 191.234 1.652 10 0 ADAERN CC(C)C[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1C(=O)[O-] 107465795 573628333 /nfs/dbraw/zinc/62/83/33/573628333.db2.gz PYXLASGMEKENON-GUBZILKMSA-N 0 0 199.294 1.731 10 0 ADAERN Cc1ccc(COCC(N)=O)c(C)c1 96541818 573628359 /nfs/dbraw/zinc/62/83/59/573628359.db2.gz PSACXEYWZZUBGT-UHFFFAOYSA-N 0 0 193.246 1.305 10 0 ADAERN COc1cc(C)c(NC=O)c(C)c1 224448194 573628371 /nfs/dbraw/zinc/62/83/71/573628371.db2.gz SSWPEAVEIIQBJL-UHFFFAOYSA-N 0 0 179.219 1.880 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@@]2(CNC(=O)O2)C1 238454337 573628383 /nfs/dbraw/zinc/62/83/83/573628383.db2.gz QIFKTBCHACJLLW-MBTKJCJQSA-N 0 0 183.251 1.921 10 0 ADAERN Cc1cc(=O)[nH]c([C@H]2CC[C@H](C)C2)n1 83782612 573628393 /nfs/dbraw/zinc/62/83/93/573628393.db2.gz MWUUTKKNAPIGJT-CBAPKCEASA-N 0 0 192.262 1.982 10 0 ADAERN Cc1cc2cc(C)nc(N)c2c(N)n1 75578702 573628411 /nfs/dbraw/zinc/62/84/11/573628411.db2.gz AWZNABVKSYHFHQ-UHFFFAOYSA-N 0 0 188.234 1.411 10 0 ADAERN Cc1c[nH]c2nc(C=O)nc-2c1 86796153 573628433 /nfs/dbraw/zinc/62/84/33/573628433.db2.gz JOEKIOLHNQJXND-UHFFFAOYSA-N 0 0 161.164 1.079 10 0 ADAERN C[C@H](O)c1nc2c(Cl)ncnc2[nH]1 238453299 573628445 /nfs/dbraw/zinc/62/84/45/573628445.db2.gz RUOLKPBFJYJBSX-VKHMYHEASA-N 0 0 198.613 1.060 10 0 ADAERN C[C@@H]1CC[C@@H](c2ncc(N)cn2)C1 83781906 573628454 /nfs/dbraw/zinc/62/84/54/573628454.db2.gz PNLKFPCTFFIIRJ-HTQZYQBOSA-N 0 0 177.251 1.962 10 0 ADAERN C[C@H]1CC(=O)NC[C@@H]1c1ccccc1 238454119 573628456 /nfs/dbraw/zinc/62/84/56/573628456.db2.gz KXCZSCYEHCAGPE-ONGXEEELSA-N 0 0 189.258 1.926 10 0 ADAERN CNc1cc(C(C)(C)C)n(C)n1 259133651 573628462 /nfs/dbraw/zinc/62/84/62/573628462.db2.gz JLAIUBGQFHZLQM-UHFFFAOYSA-N 0 0 167.256 1.759 10 0 ADAERN CSc1ccc2c(c1)N[C@H](CO)C2 107463734 573628471 /nfs/dbraw/zinc/62/84/71/573628471.db2.gz AXJZXCVSPAQURV-QMMMGPOBSA-N 0 0 195.287 1.737 10 0 ADAERN Cc1ccc(C)c(COC(N)=O)c1 238453799 573628472 /nfs/dbraw/zinc/62/84/72/573628472.db2.gz JHULUGZDIJMGQP-UHFFFAOYSA-N 0 0 179.219 1.899 10 0 ADAERN O=Cc1cc(Cl)cc(CO)c1O 75577418 573628473 /nfs/dbraw/zinc/62/84/73/573628473.db2.gz XATBFYXMBIMGFN-UHFFFAOYSA-N 0 0 186.594 1.350 10 0 ADAERN C[C@@H]1CC[C@@H](c2noc([C@@H](C)N)n2)C1 83781352 573628498 /nfs/dbraw/zinc/62/84/98/573628498.db2.gz FMYMSWULQWALOT-BWZBUEFSSA-N 0 0 195.266 1.993 10 0 ADAERN Cc1cc(O)cc(CCON)c1 258072577 573628506 /nfs/dbraw/zinc/62/85/06/573628506.db2.gz UQPVJLKNRQSGCB-UHFFFAOYSA-N 0 0 167.208 1.133 10 0 ADAERN C[C@@H]1CCCC[C@@H]1C(=O)CO 238454334 573628522 /nfs/dbraw/zinc/62/85/22/573628522.db2.gz BNAGLLNYEFCIBM-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H](NC[C@H]1CCCO1)c1ccon1 308649949 573628525 /nfs/dbraw/zinc/62/85/25/573628525.db2.gz JSEADRVGZZNHLP-DTWKUNHWSA-N 0 0 196.250 1.504 10 0 ADAERN OCCc1nc(-c2ccc[nH]2)cs1 259132770 573628540 /nfs/dbraw/zinc/62/85/40/573628540.db2.gz HFPNKLCZNAYAEX-UHFFFAOYSA-N 0 0 194.259 1.673 10 0 ADAERN CCSCCc1nnc(N)s1 75579453 573628543 /nfs/dbraw/zinc/62/85/43/573628543.db2.gz GLBJIXIDQYAAEV-UHFFFAOYSA-N 0 0 189.309 1.416 10 0 ADAERN C[C@H](O)Oc1cncc(Cl)c1 238454262 573628547 /nfs/dbraw/zinc/62/85/47/573628547.db2.gz WWADCJOVRPSGED-RXMQYKEDSA-N 0 0 173.599 1.452 10 0 ADAERN CCc1nc(SC)nc(N)c1C 75576328 573628587 /nfs/dbraw/zinc/62/85/87/573628587.db2.gz UJXNDTTZWJLAIG-UHFFFAOYSA-N 0 0 183.280 1.652 10 0 ADAERN OCc1c(O)ccc2cnccc12 259533359 573628588 /nfs/dbraw/zinc/62/85/88/573628588.db2.gz BHCUXBKSPQRSRJ-UHFFFAOYSA-N 0 0 175.187 1.433 10 0 ADAERN COC(=O)[C@H](C)Cc1cnc(C)nc1 259532992 573628597 /nfs/dbraw/zinc/62/85/97/573628597.db2.gz AHAPMCMYXFAUHA-SSDOTTSWSA-N 0 0 194.234 1.137 10 0 ADAERN CC[C@@H](CO)COc1ccccc1O 258072107 573628624 /nfs/dbraw/zinc/62/86/24/573628624.db2.gz ISZLTKDHIXIPNA-VIFPVBQESA-N 0 0 196.246 1.790 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2CC[C@H](C)C2)n1 83782611 573628626 /nfs/dbraw/zinc/62/86/26/573628626.db2.gz MWUUTKKNAPIGJT-IONNQARKSA-N 0 0 192.262 1.982 10 0 ADAERN CCc1noc([C@](C)([NH3+])CC)n1 86798060 573628633 /nfs/dbraw/zinc/62/86/33/573628633.db2.gz MWCWFTUKOKXPSZ-MRVPVSSYSA-N 0 0 169.228 1.216 10 0 ADAERN Cc1cc(O)cc([C@@H]([NH3+])[C@@H](C)O)c1 238452954 573628638 /nfs/dbraw/zinc/62/86/38/573628638.db2.gz XDNPWRHCAFDRNX-XCBNKYQSSA-N 0 0 181.235 1.081 10 0 ADAERN O=C([O-])[C@H]1CCC[NH2+][C@H]1C1CCCC1 107464520 573628670 /nfs/dbraw/zinc/62/86/70/573628670.db2.gz JGJQOCPQQWUORC-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1cc2cc(C=O)ccc2oc1=O 75578256 573628687 /nfs/dbraw/zinc/62/86/87/573628687.db2.gz NCKFSUXVFFHTNI-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN Cc1cc(C[C@@H](C)O)c(O)cc1O 75575898 573628695 /nfs/dbraw/zinc/62/86/95/573628695.db2.gz DQHHHBAZHQMWTK-SSDOTTSWSA-N 0 0 182.219 1.330 10 0 ADAERN CCOC(=O)[C@H]1C[C@@H]2CC[C@@H]2C1 259535102 573628707 /nfs/dbraw/zinc/62/87/07/573628707.db2.gz FQQOUNDMDLKOFI-AYMMMOKOSA-N 0 0 168.236 1.986 10 0 ADAERN C[C@H]1CC[C@H](c2noc([C@@H](C)N)n2)C1 83781350 573628714 /nfs/dbraw/zinc/62/87/14/573628714.db2.gz FMYMSWULQWALOT-RNJXMRFFSA-N 0 0 195.266 1.993 10 0 ADAERN C[C@@H](CCO)Nc1nc(C2CC2)no1 308650158 573628730 /nfs/dbraw/zinc/62/87/30/573628730.db2.gz JXAZFCRZNODJKU-LURJTMIESA-N 0 0 197.238 1.130 10 0 ADAERN C[C@@H]1[NH2+]C[C@@H](C(C)(C)C)C[C@H]1C(=O)[O-] 107465768 573629749 /nfs/dbraw/zinc/62/97/49/573629749.db2.gz WXHLFFYRZFGXFF-XHNCKOQMSA-N 0 0 199.294 1.731 10 0 ADAERN O=Cc1ccccc1[C@@H]1C[C@H]1O 259535403 573629812 /nfs/dbraw/zinc/62/98/12/573629812.db2.gz BJKFIFHLDGWWGN-VHSXEESVSA-N 0 0 162.188 1.347 10 0 ADAERN NOCc1cc(F)c(O)c(F)c1 258072555 573629827 /nfs/dbraw/zinc/62/98/27/573629827.db2.gz UPBJYXGJBUPBQG-UHFFFAOYSA-N 0 0 175.134 1.061 10 0 ADAERN Cc1nc(C(N)=O)[nH]c1C1CCCC1 258504702 573629833 /nfs/dbraw/zinc/62/98/33/573629833.db2.gz FITFPNKNQZWFMK-UHFFFAOYSA-N 0 0 193.250 1.475 10 0 ADAERN CCO[C@@H](C)C(=O)Cc1nccs1 86827093 573629863 /nfs/dbraw/zinc/62/98/63/573629863.db2.gz AJLXRALJLVEQCK-ZETCQYMHSA-N 0 0 199.275 1.680 10 0 ADAERN CC(C)CCC[C@@H]1COC[C@@H]1O 687963446 573629875 /nfs/dbraw/zinc/62/98/75/573629875.db2.gz AJXBZXQZYOIMPY-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc2cccc(C=O)c2oc1=O 75578255 573629876 /nfs/dbraw/zinc/62/98/76/573629876.db2.gz XDJRKEGGQJKGEZ-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN C[C@@H]1CC[C@H](c2nccc(=O)[nH]2)C1 83782762 573629877 /nfs/dbraw/zinc/62/98/77/573629877.db2.gz JCZAFFHLELEAKM-SFYZADRCSA-N 0 0 178.235 1.674 10 0 ADAERN Cc1ccc2c(c1)[C@@]([NH3+])(C(=O)[O-])CC2 96554503 573629886 /nfs/dbraw/zinc/62/98/86/573629886.db2.gz PDBWMLDVQCZGTQ-LLVKDONJSA-N 0 0 191.230 1.180 10 0 ADAERN C[C@H]1C[C@@H](O)c2ccccc2C1=O 238459103 573629905 /nfs/dbraw/zinc/62/99/05/573629905.db2.gz WGFFQEIRRUCJFH-OIBJUYFYSA-N 0 0 176.215 1.943 10 0 ADAERN Cc1cnc([C@@H]2CC[C@H](CO)CN2)o1 107463852 573629911 /nfs/dbraw/zinc/62/99/11/573629911.db2.gz 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PEHLZYIQAAIWCG-SECBINFHSA-N 0 0 197.259 1.624 10 0 ADAERN O=C([O-])[C@H]1CCC[NH2+][C@H]1c1ccco1 107463563 573630023 /nfs/dbraw/zinc/63/00/23/573630023.db2.gz CPZQWCIDMPBSNB-IONNQARKSA-N 0 0 195.218 1.405 10 0 ADAERN C[C@H](NC[C@@H]1CCCO1)c1ccon1 308649950 573630045 /nfs/dbraw/zinc/63/00/45/573630045.db2.gz JSEADRVGZZNHLP-IUCAKERBSA-N 0 0 196.250 1.504 10 0 ADAERN OC1(Cc2nccs2)CCC1 86826909 573630056 /nfs/dbraw/zinc/63/00/56/573630056.db2.gz WJZRXOVCWCRYTJ-UHFFFAOYSA-N 0 0 169.249 1.601 10 0 ADAERN CC[C@@H](CO)C(=O)C1CCCC1 259132595 573630076 /nfs/dbraw/zinc/63/00/76/573630076.db2.gz MPJXPCHOGCSNOF-QMMMGPOBSA-N 0 0 170.252 1.764 10 0 ADAERN C[C@H]1CC[C@@H](c2noc([C@@H](C)N)n2)C1 83781355 573630077 /nfs/dbraw/zinc/63/00/77/573630077.db2.gz FMYMSWULQWALOT-XLPZGREQSA-N 0 0 195.266 1.993 10 0 ADAERN CCN1C=CSCC1=O 96540389 573630080 /nfs/dbraw/zinc/63/00/80/573630080.db2.gz VXBVGYAESFSOHA-UHFFFAOYSA-N 0 0 143.211 1.053 10 0 ADAERN C[C@@H]1CN[C@@H](C(F)(F)F)[C@@H](CO)C1 107464181 573630089 /nfs/dbraw/zinc/63/00/89/573630089.db2.gz KXBYPQHWGFFVFZ-RRKCRQDMSA-N 0 0 197.200 1.155 10 0 ADAERN C[C@H]1CN[C@](C)(c2ccccn2)O1 258824936 573630101 /nfs/dbraw/zinc/63/01/01/573630101.db2.gz YWEWHULAJOGBFP-WPRPVWTQSA-N 0 0 178.235 1.263 10 0 ADAERN Cc1cscc1CNN 86815225 573630106 /nfs/dbraw/zinc/63/01/06/573630106.db2.gz UTNUQFYLTMYQEH-UHFFFAOYSA-N 0 0 142.227 1.020 10 0 ADAERN C[C@H](O)Cc1c(N)ccc(F)c1F 75577478 573630110 /nfs/dbraw/zinc/63/01/10/573630110.db2.gz OBOLQJYKLGMUPW-YFKPBYRVSA-N 0 0 187.189 1.470 10 0 ADAERN Cc1nc(N)c2c(n1)S[C@@H](C)C2 75575741 573630169 /nfs/dbraw/zinc/63/01/69/573630169.db2.gz OLTOXJJZYINDJK-BYPYZUCNSA-N 0 0 181.264 1.404 10 0 ADAERN C[C@H]1CC[C@@H](c2nccc(=O)[nH]2)C1 83782768 573630174 /nfs/dbraw/zinc/63/01/74/573630174.db2.gz JCZAFFHLELEAKM-JGVFFNPUSA-N 0 0 178.235 1.674 10 0 ADAERN Cc1ccc(O)c2[nH]c(N)cc(=O)c12 238459894 573630180 /nfs/dbraw/zinc/63/01/80/573630180.db2.gz RQVGVGKMYSBLIS-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN O[C@]1(Cc2nccs2)CCCOC1 86826802 573630192 /nfs/dbraw/zinc/63/01/92/573630192.db2.gz KJRSAIZABLNANV-VIFPVBQESA-N 0 0 199.275 1.227 10 0 ADAERN CC(C)CN1C=CSCC1=O 96540391 573630213 /nfs/dbraw/zinc/63/02/13/573630213.db2.gz DYLBJSSMIZNWHY-UHFFFAOYSA-N 0 0 171.265 1.689 10 0 ADAERN Cc1cccnc1OC1CC1 238459919 573630226 /nfs/dbraw/zinc/63/02/26/573630226.db2.gz AAIJQWVWTZKTKF-UHFFFAOYSA-N 0 0 149.193 1.931 10 0 ADAERN Cc1c(CO)sc2cc[nH]c(=O)c12 238459066 573630241 /nfs/dbraw/zinc/63/02/41/573630241.db2.gz YEMRIRMIEWWLAV-UHFFFAOYSA-N 0 0 195.243 1.390 10 0 ADAERN O[C@H](Cc1nccs1)[C@H]1CCOC1 86826706 573630243 /nfs/dbraw/zinc/63/02/43/573630243.db2.gz IVFIEXZHGMTNRD-JGVFFNPUSA-N 0 0 199.275 1.083 10 0 ADAERN CCC[C@H]([NH3+])[C@H](C)CC(=O)[O-] 259534770 573630257 /nfs/dbraw/zinc/63/02/57/573630257.db2.gz WQNAZXFDYCWZON-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN C[C@H]1CC[C@@H](c2nc(N)cc(=O)[nH]2)C1 83781631 573630279 /nfs/dbraw/zinc/63/02/79/573630279.db2.gz VDZFJBGKAJUPRM-NKWVEPMBSA-N 0 0 193.250 1.256 10 0 ADAERN O[C@H]1COC[C@@H]1c1ccsc1 687963845 573630280 /nfs/dbraw/zinc/63/02/80/573630280.db2.gz BPISYWATIVIWLB-SFYZADRCSA-N 0 0 170.233 1.223 10 0 ADAERN C[C@H](OC=O)C(=O)C(C)(C)C 238459520 573630294 /nfs/dbraw/zinc/63/02/94/573630294.db2.gz OUTOQFSKQPQZQB-LURJTMIESA-N 0 0 158.197 1.163 10 0 ADAERN C[C@@H]1C[C@H](O)CC(C)(C)O1 238454671 573630314 /nfs/dbraw/zinc/63/03/14/573630314.db2.gz YZGRGGXYDLIMDW-RQJHMYQMSA-N 0 0 144.214 1.325 10 0 ADAERN CCc1cc2ccc(O)cc2c(=O)[nH]1 75579037 573630346 /nfs/dbraw/zinc/63/03/46/573630346.db2.gz AXJYMNHUZDLVKA-UHFFFAOYSA-N 0 0 189.214 1.796 10 0 ADAERN Cc1ccc(O)cc1C(C)(C)O 238460132 573630347 /nfs/dbraw/zinc/63/03/47/573630347.db2.gz OFXOODLNZUQJQO-UHFFFAOYSA-N 0 0 166.220 1.928 10 0 ADAERN Cc1ccc(C=O)c([C@H](C)O)c1 258072632 573630349 /nfs/dbraw/zinc/63/03/49/573630349.db2.gz UTGTVAPQCBFLRU-QMMMGPOBSA-N 0 0 164.204 1.861 10 0 ADAERN Cc1nccc(-c2ncc[nH]2)n1 96551230 573630353 /nfs/dbraw/zinc/63/03/53/573630353.db2.gz AWYKOYHGKJOPOC-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+][C@@H]2CCCCC[C@H]21 107464548 573630366 /nfs/dbraw/zinc/63/03/66/573630366.db2.gz ZXGUAEILQWBIKS-IVZWLZJFSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@@H]1CC[C@@H](C(N)=S)C1 83781224 573630394 /nfs/dbraw/zinc/63/03/94/573630394.db2.gz SHJBXIUHEBGLRZ-PHDIDXHHSA-N 0 0 143.255 1.709 10 0 ADAERN C[C@]1(O)CC(=O)c2ccccc2[C@@H]1O 238460107 573630398 /nfs/dbraw/zinc/63/03/98/573630398.db2.gz BHTJXAXBGQGQRW-QWRGUYRKSA-N 0 0 192.214 1.057 10 0 ADAERN Cc1c(F)cc(F)cc1CCO 258072634 573630399 /nfs/dbraw/zinc/63/03/99/573630399.db2.gz UTIRWXWGWYTPGD-UHFFFAOYSA-N 0 0 172.174 1.808 10 0 ADAERN C[C@@H]1CC[C@H](C(N)=S)C1 83781220 573630401 /nfs/dbraw/zinc/63/04/01/573630401.db2.gz SHJBXIUHEBGLRZ-RITPCOANSA-N 0 0 143.255 1.709 10 0 ADAERN CCONC[C@H]1CCSC1 224453945 573630412 /nfs/dbraw/zinc/63/04/12/573630412.db2.gz USPZJQBDDGXIDA-SSDOTTSWSA-N 0 0 161.270 1.281 10 0 ADAERN CNCc1nc([C@@H]2CC[C@@H](C)C2)no1 83781344 573630487 /nfs/dbraw/zinc/63/04/87/573630487.db2.gz AHRLMLLYIDANDV-HTQZYQBOSA-N 0 0 195.266 1.693 10 0 ADAERN O=C1CSC=CN1C1CCCC1 96540531 573630501 /nfs/dbraw/zinc/63/05/01/573630501.db2.gz XGHZXMFWXBACOY-UHFFFAOYSA-N 0 0 183.276 1.976 10 0 ADAERN C[C@]12C(=O)CCC[C@H]1CCC2=O 238459360 573632015 /nfs/dbraw/zinc/63/20/15/573632015.db2.gz CWDFLCZPJWWIIW-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN COCCc1cn2cc(O)ccc2n1 258074435 573632030 /nfs/dbraw/zinc/63/20/30/573632030.db2.gz WCFYDNNQXVCTTM-UHFFFAOYSA-N 0 0 192.218 1.229 10 0 ADAERN CNC(=O)[C@@H]1C[C@@H]1c1ccc(O)cc1 96587672 573632041 /nfs/dbraw/zinc/63/20/41/573632041.db2.gz LXBIHJLFZWWAJG-NXEZZACHSA-N 0 0 191.230 1.242 10 0 ADAERN O=C(Cc1nccs1)[C@H]1CCCO1 86827115 573632044 /nfs/dbraw/zinc/63/20/44/573632044.db2.gz FYAVVCTXFXOVCV-MRVPVSSYSA-N 0 0 197.259 1.434 10 0 ADAERN Cc1ccccc1[C@@H]1COC[C@@H]1O 687970178 573632046 /nfs/dbraw/zinc/63/20/46/573632046.db2.gz PXQFCRLFDWTRPQ-QWRGUYRKSA-N 0 0 178.231 1.470 10 0 ADAERN COCCC(=O)C1=C(O)CCCC1 43651248 573632051 /nfs/dbraw/zinc/63/20/51/573632051.db2.gz JSYDHPFJWOKNAS-QMMMGPOBSA-N 0 0 184.235 1.351 10 0 ADAERN O=C(c1ccncc1)C1(CO)CC1 259143414 573632068 /nfs/dbraw/zinc/63/20/68/573632068.db2.gz KNWMPWJWRYVFJR-UHFFFAOYSA-N 0 0 177.203 1.037 10 0 ADAERN CCCCc1ncn2c(N)ncnc12 75580208 573632091 /nfs/dbraw/zinc/63/20/91/573632091.db2.gz JZMJANSHZHFAMT-UHFFFAOYSA-N 0 0 191.238 1.049 10 0 ADAERN CCOC(=O)O[C@H](C)C(=O)CC 238292583 573632110 /nfs/dbraw/zinc/63/21/10/573632110.db2.gz AMMJQNSTIVHHJA-ZCFIWIBFSA-N 0 0 174.196 1.527 10 0 ADAERN CC(=O)c1noc([C@H]2CCCN2C)n1 258073779 573632115 /nfs/dbraw/zinc/63/21/15/573632115.db2.gz QLLSUBSUUNHZDF-SSDOTTSWSA-N 0 0 195.222 1.039 10 0 ADAERN COc1cccc([C@H](OC)N(C)C)c1 259143170 573632122 /nfs/dbraw/zinc/63/21/22/573632122.db2.gz KKRPMAOVLLRZAU-NSHDSACASA-N 0 0 195.262 1.902 10 0 ADAERN C[C@H](OC=O)C(=O)Nc1ccccc1 238459563 573632127 /nfs/dbraw/zinc/63/21/27/573632127.db2.gz FFHLIHVMUCMCJU-QMMMGPOBSA-N 0 0 193.202 1.187 10 0 ADAERN COc1ccc(C[C@@H](C)ON)cc1 259534196 573631357 /nfs/dbraw/zinc/63/13/57/573631357.db2.gz USHVSUZZYAXLFV-MRVPVSSYSA-N 0 0 181.235 1.517 10 0 ADAERN C[C@H]1CCC2=C(C1)NC2=O 238454573 573631371 /nfs/dbraw/zinc/63/13/71/573631371.db2.gz HLIMBOAQLXMDMS-YFKPBYRVSA-N 0 0 137.182 1.190 10 0 ADAERN COCCC(=O)C1=C(O)CCCCC1 43651216 573631376 /nfs/dbraw/zinc/63/13/76/573631376.db2.gz JENCIJWPAVJTOM-VIFPVBQESA-N 0 0 198.262 1.741 10 0 ADAERN OC1(Cc2nccs2)CCCC1 86826532 573631384 /nfs/dbraw/zinc/63/13/84/573631384.db2.gz SVVPLVMUPIYXLP-UHFFFAOYSA-N 0 0 183.276 1.991 10 0 ADAERN CCc1nn(CC(C)C)c(N)c1C 75575790 573631393 /nfs/dbraw/zinc/63/13/93/573631393.db2.gz ZXHTVLJBXVDOGB-UHFFFAOYSA-N 0 0 181.283 1.992 10 0 ADAERN O=Cc1cnoc1-c1ccccc1O 75578958 573631397 /nfs/dbraw/zinc/63/13/97/573631397.db2.gz KTYDKFQMBXXEPE-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN COC(=O)CC[C@H]1CCCO[C@@H]1C 259533680 573631408 /nfs/dbraw/zinc/63/14/08/573631408.db2.gz FONFIQPXWGPNOL-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)CC(=O)c1csc(N)n1 75576672 573631410 /nfs/dbraw/zinc/63/14/10/573631410.db2.gz BCHQZCKKPWPPSI-UHFFFAOYSA-N 0 0 184.264 1.954 10 0 ADAERN O=C([O-])CC[N@@H+]1CC[C@@H]2CCCC[C@H]21 96630429 573631418 /nfs/dbraw/zinc/63/14/18/573631418.db2.gz SCPMQJDSVQOQHK-VHSXEESVSA-N 0 0 197.278 1.726 10 0 ADAERN Oc1ccccc1/C=C/C1=NCCO1 75579032 573631422 /nfs/dbraw/zinc/63/14/22/573631422.db2.gz WNEBZFVNAUQNFC-AATRIKPKSA-N 0 0 189.214 1.834 10 0 ADAERN CCOC(=O)C1C[C@H]2CC[C@@H]2C1 259535104 573631425 /nfs/dbraw/zinc/63/14/25/573631425.db2.gz FQQOUNDMDLKOFI-HTQZYQBOSA-N 0 0 168.236 1.986 10 0 ADAERN COCCC(=O)C1=C(O)CCCC1 43651246 573631427 /nfs/dbraw/zinc/63/14/27/573631427.db2.gz JSYDHPFJWOKNAS-MRVPVSSYSA-N 0 0 184.235 1.351 10 0 ADAERN CO[C@@H](c1ccccn1)N(C)C 259143374 573631459 /nfs/dbraw/zinc/63/14/59/573631459.db2.gz KMVKAABHALXZCX-VIFPVBQESA-N 0 0 166.224 1.288 10 0 ADAERN OCc1ncc(-c2ccccc2F)o1 259535447 573631466 /nfs/dbraw/zinc/63/14/66/573631466.db2.gz BJXWLUNQITYCFP-UHFFFAOYSA-N 0 0 193.177 1.973 10 0 ADAERN C[C@]1(O)C(=O)Nc2cccc(Cl)c21 238459848 573631472 /nfs/dbraw/zinc/63/14/72/573631472.db2.gz YNGCAKILQPCZEG-SECBINFHSA-N 0 0 197.621 1.500 10 0 ADAERN Cc1ccc(C)c([C@H](O)CO)c1O 75575900 573631489 /nfs/dbraw/zinc/63/14/89/573631489.db2.gz YFHNIBQWHUSNIU-MRVPVSSYSA-N 0 0 182.219 1.035 10 0 ADAERN CCCc1cc(=O)[nH]n1CC 258504757 573631511 /nfs/dbraw/zinc/63/15/11/573631511.db2.gz LAGILUAPFYOFGT-UHFFFAOYSA-N 0 0 154.213 1.561 10 0 ADAERN CCn1nnc(N)c1-c1ccccc1 257834236 573631512 /nfs/dbraw/zinc/63/15/12/573631512.db2.gz KKDJTLRPVGMZOF-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCC[C@H]([NH2+]C)[C@H](C)C(=O)[O-] 259143344 573631515 /nfs/dbraw/zinc/63/15/15/573631515.db2.gz CFAJZKRDLRZMMY-BQBZGAKWSA-N 0 0 159.229 1.095 10 0 ADAERN ONCc1ccc([C@@H]2CCOC2)cc1 258072829 573631614 /nfs/dbraw/zinc/63/16/14/573631614.db2.gz MKSRUQCXINZHSY-LLVKDONJSA-N 0 0 193.246 1.669 10 0 ADAERN CC(=O)O[C@@H](C)n1cnc(C)c1 238459058 573631618 /nfs/dbraw/zinc/63/16/18/573631618.db2.gz FIDGLHCPEPVQFM-ZETCQYMHSA-N 0 0 168.196 1.273 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+]Cc1ccoc1 130635200 573631619 /nfs/dbraw/zinc/63/16/19/573631619.db2.gz FQVIJOPFEAOLKE-QMMMGPOBSA-N 0 0 197.234 1.623 10 0 ADAERN Cc1ccsc1[C@@H]1COC[C@@H]1O 687970218 573631649 /nfs/dbraw/zinc/63/16/49/573631649.db2.gz QDHCWSPYVVKPOV-SFYZADRCSA-N 0 0 184.260 1.531 10 0 ADAERN Cc1cccc2nc(CO)c(C)n12 238459091 573631659 /nfs/dbraw/zinc/63/16/59/573631659.db2.gz AFSCUKQGVPHHCV-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN CC(C)[C@@H](C)C(=O)N[C@@H]1CCCC1=O 716027546 573631706 /nfs/dbraw/zinc/63/17/06/573631706.db2.gz POZYWCLAPNAUCF-RKDXNWHRSA-N 0 0 197.278 1.516 10 0 ADAERN COC(=O)CC[C@@H]1CCCO[C@H]1C 259533678 573631713 /nfs/dbraw/zinc/63/17/13/573631713.db2.gz FONFIQPXWGPNOL-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1cccc2oc(NCCO)nc12 238459883 573631717 /nfs/dbraw/zinc/63/17/17/573631717.db2.gz DXAQZHOZGXXEEV-UHFFFAOYSA-N 0 0 192.218 1.540 10 0 ADAERN C[C@@H]1C[C@H](O)C=C2CCCC[C@@]21CO 238454586 573631722 /nfs/dbraw/zinc/63/17/22/573631722.db2.gz CBGUPDMZXPCJPD-USWWRNFRSA-N 0 0 196.290 1.866 10 0 ADAERN CC(=O)c1noc([C@@H]2CCCN2C)n1 258073781 573631739 /nfs/dbraw/zinc/63/17/39/573631739.db2.gz QLLSUBSUUNHZDF-ZETCQYMHSA-N 0 0 195.222 1.039 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](C)O)C1 83786282 573631751 /nfs/dbraw/zinc/63/17/51/573631751.db2.gz ZSKPGBOVKGYPJW-PRJMDXOYSA-N 0 0 128.215 1.803 10 0 ADAERN O[C@H]1COC[C@H]1CCC1CCCC1 687970201 573631752 /nfs/dbraw/zinc/63/17/52/573631752.db2.gz QBBKUTSAAACUPA-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN C[C@](O)(Cc1nccs1)C1CC1 86826570 573631764 /nfs/dbraw/zinc/63/17/64/573631764.db2.gz UMRXCQLDYDFEEH-VIFPVBQESA-N 0 0 183.276 1.847 10 0 ADAERN C[C@@H]1[C@H](N)C1(Cl)Cl 238459642 573631801 /nfs/dbraw/zinc/63/18/01/573631801.db2.gz RCRHNDXIACKPCI-GBXIJSLDSA-N 0 0 140.013 1.137 10 0 ADAERN COc1cc(C)c(O)cc1[C@@H](C)CO 258073007 573631810 /nfs/dbraw/zinc/63/18/10/573631810.db2.gz MNAFXGFYQQABFZ-QMMMGPOBSA-N 0 0 196.246 1.805 10 0 ADAERN OCCc1ccc(F)c2c1OCCO2 258072713 573631833 /nfs/dbraw/zinc/63/18/33/573631833.db2.gz MIGJVQPBXDJRPM-UHFFFAOYSA-N 0 0 198.193 1.132 10 0 ADAERN C[C@@H]1C[C@H](O)CC(C)(C)[C@@H]1CO 238454689 573631836 /nfs/dbraw/zinc/63/18/36/573631836.db2.gz LLEAJPGKHGXQIL-HRDYMLBCSA-N 0 0 172.268 1.412 10 0 ADAERN C[C@@H]1CO[C@]2(CC[C@@H](C)C2=O)O1 238460085 573631841 /nfs/dbraw/zinc/63/18/41/573631841.db2.gz JSYGGAXJAGHOQB-ZXFLCMHBSA-N 0 0 170.208 1.117 10 0 ADAERN CONCc1cc(OC)ccc1C=O 258072820 573631843 /nfs/dbraw/zinc/63/18/43/573631843.db2.gz MKNVKKONWCSIFR-UHFFFAOYSA-N 0 0 195.218 1.159 10 0 ADAERN Cc1c(Br)nn(C)c1N 258074635 573631848 /nfs/dbraw/zinc/63/18/48/573631848.db2.gz UWJOZYWUCHZQFC-UHFFFAOYSA-N 0 0 190.044 1.073 10 0 ADAERN O[C@H]1COC[C@@H]1CCC1CCCC1 687970206 573631887 /nfs/dbraw/zinc/63/18/87/573631887.db2.gz QBBKUTSAAACUPA-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1cscc1-c1nc(N)n[nH]1 86815227 573631888 /nfs/dbraw/zinc/63/18/88/573631888.db2.gz FGTUEKZVXUUDMH-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN CCCCCCOC1=CC(=O)NC1 78520180 573631917 /nfs/dbraw/zinc/63/19/17/573631917.db2.gz PZLHZPHABOZQBO-UHFFFAOYSA-N 0 0 183.251 1.597 10 0 ADAERN CNC(=O)c1ccc(N(C)C)c(C)c1 96566595 573631925 /nfs/dbraw/zinc/63/19/25/573631925.db2.gz KAVQYHXTKMFOEE-UHFFFAOYSA-N 0 0 192.262 1.421 10 0 ADAERN ONCc1ccc([C@H]2CCOC2)cc1 258072833 573631948 /nfs/dbraw/zinc/63/19/48/573631948.db2.gz MKSRUQCXINZHSY-NSHDSACASA-N 0 0 193.246 1.669 10 0 ADAERN COCCC(=O)C1=C(O)CC[C@@H](C)C1 43651494 573631971 /nfs/dbraw/zinc/63/19/71/573631971.db2.gz IIDOMKUTBJHETO-RKDXNWHRSA-N 0 0 198.262 1.597 10 0 ADAERN C[C@@]1(c2cc(N)n[nH]2)CCSC1 259535808 573634353 /nfs/dbraw/zinc/63/43/53/573634353.db2.gz BLLUMHKGNKTDFT-MRVPVSSYSA-N 0 0 183.280 1.387 10 0 ADAERN O=C1CC(F)(F)CC2(CCCC2)N1 257835020 573634358 /nfs/dbraw/zinc/63/43/58/573634358.db2.gz KMILZOCBVRXKQL-UHFFFAOYSA-N 0 0 189.205 1.845 10 0 ADAERN CCCc1nnc([C@@H](C)NC)o1 50618467 573634360 /nfs/dbraw/zinc/63/43/60/573634360.db2.gz IHZVTHJVVRAOTE-ZCFIWIBFSA-N 0 0 169.228 1.303 10 0 ADAERN C[C@@H]1CC[C@H](c2nccc(N)n2)C1 83789723 573634362 /nfs/dbraw/zinc/63/43/62/573634362.db2.gz FYLUDUCPIGDONW-SFYZADRCSA-N 0 0 177.251 1.962 10 0 ADAERN Cc1cc(O)c(CCCO)cc1O 258072695 573634363 /nfs/dbraw/zinc/63/43/63/573634363.db2.gz MHTUHLQQJLMNSQ-UHFFFAOYSA-N 0 0 182.219 1.331 10 0 ADAERN O=C([O-])C[N@@H+]1CC[C@@H]2CCCC[C@H]21 96630421 573634369 /nfs/dbraw/zinc/63/43/69/573634369.db2.gz AUXJMZGJAOUUNH-DTWKUNHWSA-N 0 0 183.251 1.336 10 0 ADAERN COC(=O)c1cccn1-c1cnco1 259535919 573634372 /nfs/dbraw/zinc/63/43/72/573634372.db2.gz ZACXFVVDLUTIDE-UHFFFAOYSA-N 0 0 192.174 1.252 10 0 ADAERN Cc1ncc(C(F)F)c(CO)c1O 238460519 573634388 /nfs/dbraw/zinc/63/43/88/573634388.db2.gz JKSOTOOBSDXXGC-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN C[N@@H+]1C[C@H](C2CCC2)C[C@H]1C(=O)[O-] 257834952 573634399 /nfs/dbraw/zinc/63/43/99/573634399.db2.gz KVFUGSFVLAIGDO-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H]1CC[C@H]([C@@H](C)O)C1 83786283 573634404 /nfs/dbraw/zinc/63/44/04/573634404.db2.gz ZSKPGBOVKGYPJW-RNJXMRFFSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@H]1CC[C@H](c2noc(N)n2)C1 83790054 573634418 /nfs/dbraw/zinc/63/44/18/573634418.db2.gz YSMQTVGDTWKVOP-WDSKDSINSA-N 0 0 167.212 1.555 10 0 ADAERN CC[C@@H](C)c1nnc([C@@H](C)NC)o1 50618441 573634423 /nfs/dbraw/zinc/63/44/23/573634423.db2.gz DYIAHLFMDVHKMJ-RNFRBKRXSA-N 0 0 183.255 1.864 10 0 ADAERN C[C@H](O)[C@@H]1CC[C@@H](C)C1 83791244 573634429 /nfs/dbraw/zinc/63/44/29/573634429.db2.gz ZSKPGBOVKGYPJW-GJMOJQLCSA-N 0 0 128.215 1.803 10 0 ADAERN COC(=O)/C(F)=C/c1cccc(O)c1 257835061 573634455 /nfs/dbraw/zinc/63/44/55/573634455.db2.gz KNPKUODGGWAHJN-TWGQIWQCSA-N 0 0 196.177 1.876 10 0 ADAERN Cc1cc(C=O)c(CON)cc1C 258074623 573634459 /nfs/dbraw/zinc/63/44/59/573634459.db2.gz UWFBNZIMCCVGPI-UHFFFAOYSA-N 0 0 179.219 1.506 10 0 ADAERN C[C@H]1C[C@@H](c2cccnc2)NC1=O 238461073 573634477 /nfs/dbraw/zinc/63/44/77/573634477.db2.gz CWPNYWQKWWRNQW-CBAPKCEASA-N 0 0 176.219 1.279 10 0 ADAERN Cc1nc(N)nc([C@@H]2CC[C@@H](C)C2)n1 83791088 573634495 /nfs/dbraw/zinc/63/44/95/573634495.db2.gz OLCVOPKKQJDZAN-HTRCEHHLSA-N 0 0 192.266 1.666 10 0 ADAERN CC[C@@H](O)c1cncc(OC)c1 96610500 573634503 /nfs/dbraw/zinc/63/45/03/573634503.db2.gz SMSKGPNXOVWLHN-SECBINFHSA-N 0 0 167.208 1.534 10 0 ADAERN CCN[C@H](C)c1nnc(C2CC2)o1 50618706 573634506 /nfs/dbraw/zinc/63/45/06/573634506.db2.gz GLQSWERXWITZBR-ZCFIWIBFSA-N 0 0 181.239 1.618 10 0 ADAERN C[C@H]1CC(C)(C)CC(=O)[C@H]1CO 238460448 573634514 /nfs/dbraw/zinc/63/45/14/573634514.db2.gz VFMLFLGRVHTIBF-YUMQZZPRSA-N 0 0 170.252 1.620 10 0 ADAERN CC/C(=C/c1cccnc1)CO 211975168 573634541 /nfs/dbraw/zinc/63/45/41/573634541.db2.gz NFVUIFOFFXNSMH-TWGQIWQCSA-N 0 0 163.220 1.867 10 0 ADAERN CC[C@@H](F)COC(=O)/C=C/COC 393544971 573634542 /nfs/dbraw/zinc/63/45/42/573634542.db2.gz DMNFBVFTINTHIE-WTSVBCDHSA-N 0 0 190.214 1.480 10 0 ADAERN COc1cccc2c1C[C@@H](OC)CN2 257835052 573635119 /nfs/dbraw/zinc/63/51/19/573635119.db2.gz KNISZIFFOBFZQM-MRVPVSSYSA-N 0 0 193.246 1.678 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@](O)(CCO)C1 238460912 573634549 /nfs/dbraw/zinc/63/45/49/573634549.db2.gz QFJKCNWXQCLEPS-GXSJLCMTSA-N 0 0 186.295 1.946 10 0 ADAERN OCCc1c(O)ccc2c1CCCC2 258072716 573634569 /nfs/dbraw/zinc/63/45/69/573634569.db2.gz MIKUNMLCCDFQQS-UHFFFAOYSA-N 0 0 192.258 1.806 10 0 ADAERN CCn1cncc1COC 221677212 573634572 /nfs/dbraw/zinc/63/45/72/573634572.db2.gz MGFURLKKNCMQDA-UHFFFAOYSA-N 0 0 140.186 1.049 10 0 ADAERN C[C@@H]1CC[C@@H]([C@H](O)c2nccn2C)C1 83785523 573634609 /nfs/dbraw/zinc/63/46/09/573634609.db2.gz CZRPBHLERIDOAG-BBBLOLIVSA-N 0 0 194.278 1.890 10 0 ADAERN Cn1ncc2cc(C3(O)CC3)ccc21 258072733 573634656 /nfs/dbraw/zinc/63/46/56/573634656.db2.gz MIYCUPZWVWGYJQ-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN CCC(=O)NC(=O)c1ccccc1O 75581149 573634657 /nfs/dbraw/zinc/63/46/57/573634657.db2.gz VBYGHNASVUSMKN-UHFFFAOYSA-N 0 0 193.202 1.059 10 0 ADAERN Nc1cc(=O)[nH]c2ccc(O)cc12 259617029 573634670 /nfs/dbraw/zinc/63/46/70/573634670.db2.gz DXSJNNAVWBSRMT-UHFFFAOYSA-N 0 0 176.175 1.228 10 0 ADAERN C[C@@]1(O)C=Cc2cccn2CC1 238461154 573634679 /nfs/dbraw/zinc/63/46/79/573634679.db2.gz YVFOYWDXKHWNHC-SNVBAGLBSA-N 0 0 163.220 1.656 10 0 ADAERN C[C@@H]1C=C([C@@H]([NH3+])C(=O)[O-])CC(C)(C)C1 238460530 573634687 /nfs/dbraw/zinc/63/46/87/573634687.db2.gz MDPOPCULSBFZGT-VXNVDRBHSA-N 0 0 197.278 1.781 10 0 ADAERN CCOc1cccc(O)c1[C@H](C)CO 258072782 573634704 /nfs/dbraw/zinc/63/47/04/573634704.db2.gz MJUDGOQVTCPQKG-MRVPVSSYSA-N 0 0 196.246 1.887 10 0 ADAERN Cc1cscc1-c1nnc(N)o1 86815229 573634715 /nfs/dbraw/zinc/63/47/15/573634715.db2.gz NFILCOFLNAQZIA-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CN(C)c1ccc(CCO)cc1Cl 258074055 573634720 /nfs/dbraw/zinc/63/47/20/573634720.db2.gz IJJVSHMMJGHTAM-UHFFFAOYSA-N 0 0 199.681 1.941 10 0 ADAERN C[C@]1(O)CC2=C(CCC2)N1 238460281 573634729 /nfs/dbraw/zinc/63/47/29/573634729.db2.gz HPMHUPOTJDCOSH-QMMMGPOBSA-N 0 0 139.198 1.126 10 0 ADAERN CC[C@H](C(=O)OC)c1nccs1 96584401 573634730 /nfs/dbraw/zinc/63/47/30/573634730.db2.gz MIESJRSMJUSQPK-LURJTMIESA-N 0 0 185.248 1.810 10 0 ADAERN CC(C)(C)C[C@@H]1C[C@@H](C(=O)[O-])C[NH2+]1 96864832 573634741 /nfs/dbraw/zinc/63/47/41/573634741.db2.gz GTYXBGMFCHAXEG-SFYZADRCSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1Cc2c(O)cc(O)cc2C(=O)O1 75581563 573634748 /nfs/dbraw/zinc/63/47/48/573634748.db2.gz OINLIMYCKRUGEC-YFKPBYRVSA-N 0 0 194.186 1.199 10 0 ADAERN C[C@H]1CC[C@H](c2ncc(CO)cn2)C1 83790364 573634774 /nfs/dbraw/zinc/63/47/74/573634774.db2.gz SSTYHTCKLJQVHB-WPRPVWTQSA-N 0 0 192.262 1.873 10 0 ADAERN CC[C@@H](C)c1nnc([C@H](C)NC)o1 50618443 573634780 /nfs/dbraw/zinc/63/47/80/573634780.db2.gz DYIAHLFMDVHKMJ-RQJHMYQMSA-N 0 0 183.255 1.864 10 0 ADAERN C[C@H]1CC[C@@H](c2noc(CO)n2)C1 83791016 573634813 /nfs/dbraw/zinc/63/48/13/573634813.db2.gz YXEGVDLKGFVXEB-NKWVEPMBSA-N 0 0 182.223 1.466 10 0 ADAERN CC(C)(C)[C@H]1CC(=O)N(C(C)(C)C)N1 257834475 573634814 /nfs/dbraw/zinc/63/48/14/573634814.db2.gz IIRDCOUTDSDDCY-MRVPVSSYSA-N 0 0 198.310 1.937 10 0 ADAERN Cc1cc(C=O)c(C(F)F)nc1N 238460830 573634818 /nfs/dbraw/zinc/63/48/18/573634818.db2.gz BLWVUFDYPGBCGD-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C[C@@H]1c2ccccc2CON1C(N)=O 238461127 573634824 /nfs/dbraw/zinc/63/48/24/573634824.db2.gz CMDSJALTIFXQJP-SSDOTTSWSA-N 0 0 192.218 1.574 10 0 ADAERN CCc1nc([C@H]2CSCCN2)no1 257835125 573634826 /nfs/dbraw/zinc/63/48/26/573634826.db2.gz IJZXYLRFVDUVBM-ZCFIWIBFSA-N 0 0 199.279 1.010 10 0 ADAERN COCCO[C@@H]1CCCCC[C@@H]1O 44222519 573634830 /nfs/dbraw/zinc/63/48/30/573634830.db2.gz OWRNEJJSZSFDEV-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CSCC(=O)Cc1nccs1 86827077 573634852 /nfs/dbraw/zinc/63/48/52/573634852.db2.gz LHJXMQKJONBWGW-UHFFFAOYSA-N 0 0 187.289 1.618 10 0 ADAERN CSc1ccccc1CON 258074532 573634876 /nfs/dbraw/zinc/63/48/76/573634876.db2.gz UUXIRGWXKPPXNB-UHFFFAOYSA-N 0 0 169.249 1.799 10 0 ADAERN C[C@H](NC(=[NH2+])c1ccccc1)C(=O)[O-] 238460578 573634879 /nfs/dbraw/zinc/63/48/79/573634879.db2.gz KBRSULSUPZTEMO-ZETCQYMHSA-N 0 0 192.218 1.075 10 0 ADAERN COCCO[C@H]1CCCCC[C@H]1O 44222530 573634881 /nfs/dbraw/zinc/63/48/81/573634881.db2.gz OWRNEJJSZSFDEV-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CC1(C)Oc2ccc(CON)cc2O1 258072703 573634888 /nfs/dbraw/zinc/63/48/88/573634888.db2.gz MIAJAZUJLWZXMM-UHFFFAOYSA-N 0 0 195.218 1.584 10 0 ADAERN CC(C)(C)C(F)(F)C(=N)N 259146878 573634903 /nfs/dbraw/zinc/63/49/03/573634903.db2.gz GRLLFQGIMHDHCQ-UHFFFAOYSA-N 0 0 150.172 1.604 10 0 ADAERN C[C@]1(O)CNc2ccccc2SC1 238461277 573634906 /nfs/dbraw/zinc/63/49/06/573634906.db2.gz GSWGOFTZHXLDNT-JTQLQIEISA-N 0 0 195.287 1.955 10 0 ADAERN Cc1ccc([C@H](C)[C@H]([NH3+])C(=O)[O-])cc1 75581315 573634931 /nfs/dbraw/zinc/63/49/31/573634931.db2.gz IVKJCDJSHMWMKJ-WPRPVWTQSA-N 0 0 193.246 1.510 10 0 ADAERN CNc1nc(-c2ccc[nH]2)c[nH]1 259147385 573634941 /nfs/dbraw/zinc/63/49/41/573634941.db2.gz SHVFUCDMIXWZMX-UHFFFAOYSA-N 0 0 162.196 1.447 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](O)[C@@H]2CCOC2)C1 83785814 573634952 /nfs/dbraw/zinc/63/49/52/573634952.db2.gz OYKZYECUBHNWNV-YTWAJWBKSA-N 0 0 184.279 1.820 10 0 ADAERN C[C@H]1CC[C@@H](c2noc(N)n2)C1 83790058 573634960 /nfs/dbraw/zinc/63/49/60/573634960.db2.gz YSMQTVGDTWKVOP-NTSWFWBYSA-N 0 0 167.212 1.555 10 0 ADAERN C[C@H]1CC[C@@H](c2nc(CO)c[nH]2)C1 83790629 573634968 /nfs/dbraw/zinc/63/49/68/573634968.db2.gz XCMINJFCOGKUEF-JGVFFNPUSA-N 0 0 180.251 1.806 10 0 ADAERN O=C([O-])C[N@@H+]1CC[C@H]2CCCC[C@H]21 96630423 573635000 /nfs/dbraw/zinc/63/50/00/573635000.db2.gz AUXJMZGJAOUUNH-RKDXNWHRSA-N 0 0 183.251 1.336 10 0 ADAERN CC(=O)Cn1ccc2ccncc21 258073658 573635018 /nfs/dbraw/zinc/63/50/18/573635018.db2.gz HRNRSBMIZOTZEB-UHFFFAOYSA-N 0 0 174.203 1.625 10 0 ADAERN COC(=O)CC(=O)[C@@H]1CCCC[C@@H]1C 257834478 573635020 /nfs/dbraw/zinc/63/50/20/573635020.db2.gz IISLYXFBEBFVRB-DTWKUNHWSA-N 0 0 198.262 1.945 10 0 ADAERN CCCCc1nnc([C@@H](C)NC)o1 50618453 573635036 /nfs/dbraw/zinc/63/50/36/573635036.db2.gz QJHICBBJWOSYPW-SSDOTTSWSA-N 0 0 183.255 1.693 10 0 ADAERN CN[C@@H](C)c1nnc(CC(C)C)o1 50618498 573635054 /nfs/dbraw/zinc/63/50/54/573635054.db2.gz XIGSRSKOKFSIOQ-ZETCQYMHSA-N 0 0 183.255 1.549 10 0 ADAERN C[C@H]1C[N@H+](C)C(C)(C)CC1=O 238460331 573635056 /nfs/dbraw/zinc/63/50/56/573635056.db2.gz SKSAKNJJJHBOFM-ZETCQYMHSA-N 0 0 155.241 1.306 10 0 ADAERN Cc1ccc(O)cc1N1CCCC1=O 238460443 573635084 /nfs/dbraw/zinc/63/50/84/573635084.db2.gz GWNGHAIZGPGUKW-UHFFFAOYSA-N 0 0 191.230 1.827 10 0 ADAERN CCc1ccc(F)c(CON)c1F 258072912 573635104 /nfs/dbraw/zinc/63/51/04/573635104.db2.gz MLQOTNCMNSGBAX-UHFFFAOYSA-N 0 0 187.189 1.918 10 0 ADAERN C[C@@H]1CCc2c(ccc(C=O)c2O)O1 75580549 573636541 /nfs/dbraw/zinc/63/65/41/573636541.db2.gz FVNLZUXVAPFKBF-SSDOTTSWSA-N 0 0 192.214 1.918 10 0 ADAERN O=C(OCC1CCC1)c1cn[nH]c1 308409722 573636563 /nfs/dbraw/zinc/63/65/63/573636563.db2.gz NVQFNRXPKVTUJZ-UHFFFAOYSA-N 0 0 180.207 1.367 10 0 ADAERN CC[NH2+]Cc1cc(F)c([O-])c(F)c1 86831026 573636566 /nfs/dbraw/zinc/63/65/66/573636566.db2.gz XXMGMYHCRSQTRC-UHFFFAOYSA-N 0 0 187.189 1.780 10 0 ADAERN C[C@H]1CN(c2ccc(O)cc2)C(=O)O1 257837983 573636583 /nfs/dbraw/zinc/63/65/83/573636583.db2.gz LGBNDGKYAMGSAO-ZETCQYMHSA-N 0 0 193.202 1.737 10 0 ADAERN CCc1nc([C@@H](CC)CO)[nH]c1C 258826473 573636592 /nfs/dbraw/zinc/63/65/92/573636592.db2.gz ZBXXTQYKONVPLJ-QMMMGPOBSA-N 0 0 182.267 1.766 10 0 ADAERN CCN[C@H](C)c1nnc(C(F)F)o1 50618948 573636594 /nfs/dbraw/zinc/63/65/94/573636594.db2.gz YUUCPPGPMNEHDK-SCSAIBSYSA-N 0 0 191.181 1.678 10 0 ADAERN Cc1ccc(O)cc1C(O)=S 238460196 573636611 /nfs/dbraw/zinc/63/66/11/573636611.db2.gz YUFBSOVMBUADCV-UHFFFAOYSA-N 0 0 168.217 1.934 10 0 ADAERN CCSc1ccc(N)c(N)n1 86830244 573636634 /nfs/dbraw/zinc/63/66/34/573636634.db2.gz ASMKSUHTFZSSPL-UHFFFAOYSA-N 0 0 169.253 1.358 10 0 ADAERN CN[C@@H](C)c1nnc(CC(C)(C)C)o1 50618451 573635872 /nfs/dbraw/zinc/63/58/72/573635872.db2.gz GCYILYCHKPJEGD-ZETCQYMHSA-N 0 0 197.282 1.939 10 0 ADAERN Cc1nc2nc(N(C)C)ccc2[nH]1 86830537 573635874 /nfs/dbraw/zinc/63/58/74/573635874.db2.gz RHPNVTBQXZSHTN-UHFFFAOYSA-N 0 0 176.223 1.332 10 0 ADAERN CC[C@@H](C(=O)OC)c1nccs1 96584402 573636673 /nfs/dbraw/zinc/63/66/73/573636673.db2.gz MIESJRSMJUSQPK-ZCFIWIBFSA-N 0 0 185.248 1.810 10 0 ADAERN C[C@H]1CC/C(=C\CO)C1 238466795 573635908 /nfs/dbraw/zinc/63/59/08/573635908.db2.gz JEGSIHTYQWPNQG-PUSOHNNWSA-N 0 0 126.199 1.725 10 0 ADAERN CC[C@H](C)c1nnc([C@@H](C)NC)o1 50618442 573635919 /nfs/dbraw/zinc/63/59/19/573635919.db2.gz DYIAHLFMDVHKMJ-NKWVEPMBSA-N 0 0 183.255 1.864 10 0 ADAERN CCCCc1nnc([C@H](C)NC)o1 50618454 573635931 /nfs/dbraw/zinc/63/59/31/573635931.db2.gz QJHICBBJWOSYPW-ZETCQYMHSA-N 0 0 183.255 1.693 10 0 ADAERN CCOC[C@H](O)c1csc(C)n1 126698342 573635933 /nfs/dbraw/zinc/63/59/33/573635933.db2.gz RPDWQKQOYWPWPS-QMMMGPOBSA-N 0 0 187.264 1.521 10 0 ADAERN C[C@@H](O)c1cc(F)c2c(c1)OCCO2 258072987 573635960 /nfs/dbraw/zinc/63/59/60/573635960.db2.gz MMVDNNFMSDGUEV-ZCFIWIBFSA-N 0 0 198.193 1.650 10 0 ADAERN Cn1cc(O[C@H]2CCCCO2)cn1 258515017 573635963 /nfs/dbraw/zinc/63/59/63/573635963.db2.gz MUTMVPQBSWSYGB-VIFPVBQESA-N 0 0 182.223 1.326 10 0 ADAERN C[C@@H]1CC[C@@H](c2ncnc(N)n2)C1 83791104 573635964 /nfs/dbraw/zinc/63/59/64/573635964.db2.gz MWLFEDDZRYWMGM-RNFRBKRXSA-N 0 0 178.239 1.357 10 0 ADAERN CC[C@@H](NC(=O)NOC)C(C)(C)C 393544182 573635978 /nfs/dbraw/zinc/63/59/78/573635978.db2.gz CQXNBCMCBZBFAP-SSDOTTSWSA-N 0 0 188.271 1.672 10 0 ADAERN NC(=S)CCCOCC(F)F 130643236 573636004 /nfs/dbraw/zinc/63/60/04/573636004.db2.gz ZSOVTFFFQPOYTR-UHFFFAOYSA-N 0 0 183.223 1.334 10 0 ADAERN O=C([O-])C[N@@H+]1CC[C@H]2CCCC[C@@H]21 96630424 573636017 /nfs/dbraw/zinc/63/60/17/573636017.db2.gz AUXJMZGJAOUUNH-BDAKNGLRSA-N 0 0 183.251 1.336 10 0 ADAERN COC(=O)Cc1cn2cncc2s1 259616866 573636023 /nfs/dbraw/zinc/63/60/23/573636023.db2.gz FNBWHCVNSWLISL-UHFFFAOYSA-N 0 0 196.231 1.111 10 0 ADAERN C[Si]1(C)C=C[C@H](CO)C1 238460485 573636035 /nfs/dbraw/zinc/63/60/35/573636035.db2.gz SANAQTKVPRIIHT-SSDOTTSWSA-N 0 0 142.274 1.412 10 0 ADAERN Cc1cccc2c1OC[C@@H](C)NC2=O 238460337 573636048 /nfs/dbraw/zinc/63/60/48/573636048.db2.gz VLAUOVHYEOODDH-MRVPVSSYSA-N 0 0 191.230 1.506 10 0 ADAERN CNc1ccc2[nH]c(C3CC3)nc2n1 86830940 573636049 /nfs/dbraw/zinc/63/60/49/573636049.db2.gz SWOITYPMHHGQHU-UHFFFAOYSA-N 0 0 188.234 1.877 10 0 ADAERN C[C@H]1CC(C)(C)N(C)C(=O)N1 238461228 573636065 /nfs/dbraw/zinc/63/60/65/573636065.db2.gz RCTNDRJQOHXZFU-LURJTMIESA-N 0 0 156.229 1.199 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)N(C(C)(C)C)N1 257834476 573636071 /nfs/dbraw/zinc/63/60/71/573636071.db2.gz IIRDCOUTDSDDCY-QMMMGPOBSA-N 0 0 198.310 1.937 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Cc1nccs1 86827143 573636072 /nfs/dbraw/zinc/63/60/72/573636072.db2.gz NKHISQTWVXLNSN-RNFRBKRXSA-N 0 0 181.260 1.911 10 0 ADAERN Nc1ccc2[nH]c(C(F)F)nc2n1 86830839 573636081 /nfs/dbraw/zinc/63/60/81/573636081.db2.gz QCBJUCLHSNZFKB-UHFFFAOYSA-N 0 0 184.149 1.478 10 0 ADAERN COC(=O)[C@@H](N)CCc1ccc(C)o1 259146523 573636086 /nfs/dbraw/zinc/63/60/86/573636086.db2.gz UKDWOWKLIRUCCZ-VIFPVBQESA-N 0 0 197.234 1.021 10 0 ADAERN C[C@@H]1CC[C@@H]([C@H](O)c2cncnc2)C1 83785498 573636110 /nfs/dbraw/zinc/63/61/10/573636110.db2.gz SWFRMIWFJSBOAQ-KKZNHRDASA-N 0 0 192.262 1.946 10 0 ADAERN C[C@@]12C=C[C@@H](NC1=O)c1ccccc12 238460756 573636117 /nfs/dbraw/zinc/63/61/17/573636117.db2.gz NAWUKDHGFQOFJB-PWSUYJOCSA-N 0 0 185.226 1.685 10 0 ADAERN C[C@H](C(=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@@H]21 96630436 573636119 /nfs/dbraw/zinc/63/61/19/573636119.db2.gz LBNISRNEOVYNHO-BBBLOLIVSA-N 0 0 197.278 1.724 10 0 ADAERN COC(=O)[C@](N)(C(C)C)C(C)(F)F 257835043 573636124 /nfs/dbraw/zinc/63/61/24/573636124.db2.gz KNBRRHCJDQCINL-MRVPVSSYSA-N 0 0 195.209 1.168 10 0 ADAERN COc1ccc(Cc2ccco2)nn1 259534552 573636127 /nfs/dbraw/zinc/63/61/27/573636127.db2.gz UNIMPXWQASPRHS-UHFFFAOYSA-N 0 0 190.202 1.669 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](O)c2nccn2C)C1 83785519 573636140 /nfs/dbraw/zinc/63/61/40/573636140.db2.gz CZRPBHLERIDOAG-UTLUCORTSA-N 0 0 194.278 1.890 10 0 ADAERN O=Cc1cc2cccc3c2n1CCO3 258074539 573636165 /nfs/dbraw/zinc/63/61/65/573636165.db2.gz UUYSPYBTQHVTEB-UHFFFAOYSA-N 0 0 187.198 1.846 10 0 ADAERN CCOc1ccc2nc(C)[nH]c2n1 86830505 573636168 /nfs/dbraw/zinc/63/61/68/573636168.db2.gz MHFRTXPHAJEZIX-UHFFFAOYSA-N 0 0 177.207 1.665 10 0 ADAERN NC(=O)[C@H](F)C1CCCCCC1 259538321 573636179 /nfs/dbraw/zinc/63/61/79/573636179.db2.gz BNSWFMUDDXGFLY-MRVPVSSYSA-N 0 0 173.231 1.780 10 0 ADAERN Cc1nc(N)nc([C@H]2CC[C@@H](C)C2)n1 83791090 573636186 /nfs/dbraw/zinc/63/61/86/573636186.db2.gz OLCVOPKKQJDZAN-SVRRBLITSA-N 0 0 192.266 1.666 10 0 ADAERN CCN[C@H](C)c1nnc(CC)o1 50618885 573636195 /nfs/dbraw/zinc/63/61/95/573636195.db2.gz JWMNEWZLPNXWBB-ZCFIWIBFSA-N 0 0 169.228 1.303 10 0 ADAERN NCC(=O)c1cccc(Cl)c1N 257834923 573636197 /nfs/dbraw/zinc/63/61/97/573636197.db2.gz KUCKEPNVDSRMKN-UHFFFAOYSA-N 0 0 184.626 1.064 10 0 ADAERN O=Cc1nc2ccc(Cl)cn2n1 107343474 573636208 /nfs/dbraw/zinc/63/62/08/573636208.db2.gz UMBHJTYPDGJQAI-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN CC[C@@H](C[NH3+])c1ccc(C(=O)[O-])cc1 259535855 573636243 /nfs/dbraw/zinc/63/62/43/573636243.db2.gz QRMCAPDAGMTVKF-QMMMGPOBSA-N 0 0 193.246 1.837 10 0 ADAERN CCN[C@@H](C)c1nnc([C@H]2C[C@@H]2C)o1 50618841 573636250 /nfs/dbraw/zinc/63/62/50/573636250.db2.gz RVWMQTSDLADIFO-FXQIFTODSA-N 0 0 195.266 1.864 10 0 ADAERN C[C@H]1CC[C@@H](c2noc(C=O)n2)C1 83790925 573636252 /nfs/dbraw/zinc/63/62/52/573636252.db2.gz HXTCPEUZCRTQCU-NKWVEPMBSA-N 0 0 180.207 1.786 10 0 ADAERN C[C@@H](O)CCCc1nccs1 86828449 573636254 /nfs/dbraw/zinc/63/62/54/573636254.db2.gz VLKFUPUFVFYNOG-SSDOTTSWSA-N 0 0 171.265 1.847 10 0 ADAERN CCOc1ccc2nc[nH]c2n1 86830519 573636266 /nfs/dbraw/zinc/63/62/66/573636266.db2.gz VKQJKHVFMOWXAT-UHFFFAOYSA-N 0 0 163.180 1.357 10 0 ADAERN CNc1ccc2[nH]c([C@H](C)O)nc2n1 86830905 573636277 /nfs/dbraw/zinc/63/62/77/573636277.db2.gz HIMGSPJXJVWVET-YFKPBYRVSA-N 0 0 192.222 1.053 10 0 ADAERN Cc1cccc([C@@]2(C)CNC(=O)N2)c1 257835078 573636306 /nfs/dbraw/zinc/63/63/06/573636306.db2.gz KOJGPJNEJVVJBO-LLVKDONJSA-N 0 0 190.246 1.523 10 0 ADAERN ONCc1ccc(F)c2c1OCO2 258072843 573636313 /nfs/dbraw/zinc/63/63/13/573636313.db2.gz MLBHIPURIOUNHV-UHFFFAOYSA-N 0 0 185.154 1.033 10 0 ADAERN O=Cc1cc(C=O)c(N2CCCC2)o1 75581163 573636320 /nfs/dbraw/zinc/63/63/20/573636320.db2.gz LIFKIYVPVULWJU-UHFFFAOYSA-N 0 0 193.202 1.505 10 0 ADAERN OCCc1ccc(O)c(Cl)c1F 258072740 573636327 /nfs/dbraw/zinc/63/63/27/573636327.db2.gz MJAYYLLIXVMQOJ-UHFFFAOYSA-N 0 0 190.601 1.720 10 0 ADAERN C[C@@H]1[C@@H]2CC(=O)[C@H]1C2 238466809 573636338 /nfs/dbraw/zinc/63/63/38/573636338.db2.gz XZMLIJPYYRUNGQ-SRQIZXRXSA-N 0 0 110.156 1.231 10 0 ADAERN COc1n[nH]c(C(C)C)c1CCO 258074637 573636339 /nfs/dbraw/zinc/63/63/39/573636339.db2.gz WFJJDTHHAHCFHV-UHFFFAOYSA-N 0 0 184.239 1.077 10 0 ADAERN CCCc1ccn(-c2ccncn2)n1 86829499 573636352 /nfs/dbraw/zinc/63/63/52/573636352.db2.gz FDNMTTXLZSIHOU-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN CC(C)Sc1ccc(N)c(N)n1 86830263 573636360 /nfs/dbraw/zinc/63/63/60/573636360.db2.gz MVNJNGSFHZCZMZ-UHFFFAOYSA-N 0 0 183.280 1.747 10 0 ADAERN COC[C@@H]1Cc2ccc(O)cc2C1 257834928 573636374 /nfs/dbraw/zinc/63/63/74/573636374.db2.gz KUFXTRJJXUTLGE-MRVPVSSYSA-N 0 0 178.231 1.753 10 0 ADAERN C[C@H]1CC[C@H](c2noc(C=O)n2)C1 83790921 573636397 /nfs/dbraw/zinc/63/63/97/573636397.db2.gz HXTCPEUZCRTQCU-BQBZGAKWSA-N 0 0 180.207 1.786 10 0 ADAERN C[C@@H]1CCC=C[C@H]1C(N)=O 211972245 573636424 /nfs/dbraw/zinc/63/64/24/573636424.db2.gz VJQVDPJJLPHAKD-RNFRBKRXSA-N 0 0 139.198 1.074 10 0 ADAERN CCC(C)(C)C[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 258825637 573636447 /nfs/dbraw/zinc/63/64/47/573636447.db2.gz GQWXJNNRSBQCOT-DTWKUNHWSA-N 0 0 199.294 1.733 10 0 ADAERN OCCc1ccc2c(c1)OCS2 258072779 573636459 /nfs/dbraw/zinc/63/64/59/573636459.db2.gz MJSWSPSUCFANNN-UHFFFAOYSA-N 0 0 182.244 1.663 10 0 ADAERN O=C([O-])CC[N@@H+]1CC[C@H]2CCCC[C@H]21 96630431 573636464 /nfs/dbraw/zinc/63/64/64/573636464.db2.gz SCPMQJDSVQOQHK-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@H](C[NH3+])c1ccc(C(=O)[O-])cc1 259535854 573636477 /nfs/dbraw/zinc/63/64/77/573636477.db2.gz QRMCAPDAGMTVKF-MRVPVSSYSA-N 0 0 193.246 1.837 10 0 ADAERN CCN[C@@H](C)c1nnc(COCC)o1 50618929 573636484 /nfs/dbraw/zinc/63/64/84/573636484.db2.gz QXDLXWZZPWKEIJ-ZETCQYMHSA-N 0 0 199.254 1.277 10 0 ADAERN Cc1cccc([C@]2(C)CNC(=O)N2)c1 257835079 573636503 /nfs/dbraw/zinc/63/65/03/573636503.db2.gz KOJGPJNEJVVJBO-NSHDSACASA-N 0 0 190.246 1.523 10 0 ADAERN CC(C)[C@H](C)C(=O)N[C@@H]1CCCC1=O 716027522 573636506 /nfs/dbraw/zinc/63/65/06/573636506.db2.gz POZYWCLAPNAUCF-DTWKUNHWSA-N 0 0 197.278 1.516 10 0 ADAERN CCN[C@H](C)c1nnc(CC(C)C)o1 50618912 573636511 /nfs/dbraw/zinc/63/65/11/573636511.db2.gz ANKNTQZNPSJZLZ-MRVPVSSYSA-N 0 0 197.282 1.939 10 0 ADAERN C[C@H]1C[C@@H](c2ccc(O)cc2)C(=O)O1 238460412 573636512 /nfs/dbraw/zinc/63/65/12/573636512.db2.gz RZDQTLUEKAFHHB-XVKPBYJWSA-N 0 0 192.214 1.811 10 0 ADAERN CC(C)Cn1nc(N)c2c1COCC2 257837988 573636530 /nfs/dbraw/zinc/63/65/30/573636530.db2.gz LGILUPJPOTVZGC-UHFFFAOYSA-N 0 0 195.266 1.194 10 0 ADAERN O=Cc1nncc(-c2ccccc2)n1 257834901 573636536 /nfs/dbraw/zinc/63/65/36/573636536.db2.gz KTDVNFVNFYEQJP-UHFFFAOYSA-N 0 0 185.186 1.351 10 0 ADAERN CCC(C)(C)Oc1ccc(N)c(N)n1 86830169 573637907 /nfs/dbraw/zinc/63/79/07/573637907.db2.gz KRKIMEHAISJMTJ-UHFFFAOYSA-N 0 0 195.266 1.813 10 0 ADAERN C[C@@H](O)[C@@H]1CN(C)c2ccccc21 257838069 573637920 /nfs/dbraw/zinc/63/79/20/573637920.db2.gz AZYKALVJVBEGRG-SCZZXKLOSA-N 0 0 177.247 1.601 10 0 ADAERN C[C@H]1CC[C@@H]([C@H](C)O)C1 83791246 573637921 /nfs/dbraw/zinc/63/79/21/573637921.db2.gz ZSKPGBOVKGYPJW-BIIVOSGPSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@]1(O)CCC(=O)c2ccccc21 238460341 573637210 /nfs/dbraw/zinc/63/72/10/573637210.db2.gz BJPKGUCGTCZARR-NSHDSACASA-N 0 0 176.215 1.871 10 0 ADAERN CCCC[C@@H](F)[C@H](C)O 257845417 573637228 /nfs/dbraw/zinc/63/72/28/573637228.db2.gz PVKWTZQBTWLMLZ-NKWVEPMBSA-N 0 0 134.194 1.896 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc2nc(N)ccc2[nH]1 86830790 573637229 /nfs/dbraw/zinc/63/72/29/573637229.db2.gz DOHUPIGNHGZDRF-RITPCOANSA-N 0 0 188.234 1.664 10 0 ADAERN C[C@H]1C[C@H]1c1nc2nc(N)ccc2[nH]1 86830793 573637282 /nfs/dbraw/zinc/63/72/82/573637282.db2.gz DOHUPIGNHGZDRF-NTSWFWBYSA-N 0 0 188.234 1.664 10 0 ADAERN CC[C@@H]1CC[C@@H](c2noc(CN)n2)C1 83791513 573637292 /nfs/dbraw/zinc/63/72/92/573637292.db2.gz DGOXOAXHRMPXJA-HTQZYQBOSA-N 0 0 195.266 1.822 10 0 ADAERN COc1cccc([C@H](F)CON)c1 259535864 573637295 /nfs/dbraw/zinc/63/72/95/573637295.db2.gz BMAJPHWGTWZDKE-SECBINFHSA-N 0 0 185.198 1.596 10 0 ADAERN O=Cc1cccc([C@@H](O)C2CC2)c1 259616847 573637296 /nfs/dbraw/zinc/63/72/96/573637296.db2.gz DXBKYMXKVQSVGL-NSHDSACASA-N 0 0 176.215 1.943 10 0 ADAERN COC(=O)[C@@H]1[C@H](C)[C@H]1c1ccncc1 259536142 573637322 /nfs/dbraw/zinc/63/73/22/573637322.db2.gz FUWSIEWGXQKWSN-FKTZTGRPSA-N 0 0 191.230 1.604 10 0 ADAERN C[C@@H]1CNc2cc[nH]c2S1 75599504 573637369 /nfs/dbraw/zinc/63/73/69/573637369.db2.gz BBIDBZHGBDECCT-RXMQYKEDSA-N 0 0 154.238 1.921 10 0 ADAERN C/C(=C/c1cn2ccccc2n1)CO 211970243 573637373 /nfs/dbraw/zinc/63/73/73/573637373.db2.gz OWZRSGQESAMVDW-TWGQIWQCSA-N 0 0 188.230 1.730 10 0 ADAERN [O-]c1c(F)cc(C[NH2+]C2CC2)cc1F 86831005 573637381 /nfs/dbraw/zinc/63/73/81/573637381.db2.gz PKLNRGGETMUDSY-UHFFFAOYSA-N 0 0 199.200 1.922 10 0 ADAERN C[C@H]1C[C@H](CO)Cc2oc(C=O)cc21 75596402 573637382 /nfs/dbraw/zinc/63/73/82/573637382.db2.gz BDXQXLGEUISVCW-YUMQZZPRSA-N 0 0 194.230 1.750 10 0 ADAERN O=c1[nH]c(=S)[nH]cc1[C@H]1CCCO1 149438571 573637386 /nfs/dbraw/zinc/63/73/86/573637386.db2.gz WBAWFFDQWTXFLT-ZCFIWIBFSA-N 0 0 198.247 1.284 10 0 ADAERN C[C@H]1CCC[C@H](OC(N)=O)C1 238460486 573637392 /nfs/dbraw/zinc/63/73/92/573637392.db2.gz DOEIYNAFEDWMKO-BQBZGAKWSA-N 0 0 157.213 1.660 10 0 ADAERN CCCC[C@H](F)[C@@H](C)O 257845421 573637395 /nfs/dbraw/zinc/63/73/95/573637395.db2.gz PVKWTZQBTWLMLZ-RQJHMYQMSA-N 0 0 134.194 1.896 10 0 ADAERN CC/C(=C/C[NH2+]CCCF)C(=O)[O-] 393544830 573637401 /nfs/dbraw/zinc/63/74/01/573637401.db2.gz GBGNRDYMQNCLJF-YWEYNIOJSA-N 0 0 189.230 1.357 10 0 ADAERN CC(C)Cc1conc1C=O 257845413 573637410 /nfs/dbraw/zinc/63/74/10/573637410.db2.gz PVKIKJBJCMJZSM-UHFFFAOYSA-N 0 0 153.181 1.686 10 0 ADAERN COC(=O)[C@](N)([C@@H](C)F)C(C)(C)C 257844973 573637416 /nfs/dbraw/zinc/63/74/16/573637416.db2.gz NJNNPNUFWAJKOA-HZGVNTEJSA-N 0 0 191.246 1.261 10 0 ADAERN CC(C)Cc1cnc(CCCO)o1 259535874 573637417 /nfs/dbraw/zinc/63/74/17/573637417.db2.gz BMAQKEVKUFVPTR-UHFFFAOYSA-N 0 0 183.251 1.798 10 0 ADAERN CCOC(=O)CCc1nc(C)oc1C 259616749 573637481 /nfs/dbraw/zinc/63/74/81/573637481.db2.gz FMQFENDHUSWIFV-UHFFFAOYSA-N 0 0 197.234 1.787 10 0 ADAERN Cc1ccc(C)n2c(C=O)cnc12 238461205 573637484 /nfs/dbraw/zinc/63/74/84/573637484.db2.gz IWOKLTDZKRKSEK-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN C[C@H]1CN(C)c2ccc(O)cc21 148757871 573637486 /nfs/dbraw/zinc/63/74/86/573637486.db2.gz MYOLCDIYXNAIAI-ZETCQYMHSA-N 0 0 163.220 1.946 10 0 ADAERN CSC[C@@H](O)Cc1nccs1 86827224 573637488 /nfs/dbraw/zinc/63/74/88/573637488.db2.gz NQJXKHZSDAATNV-LURJTMIESA-N 0 0 189.305 1.410 10 0 ADAERN CC(C)Cc1nc2nc(N)ccc2[nH]1 86830854 573637967 /nfs/dbraw/zinc/63/79/67/573637967.db2.gz ZPGWMNLMPQKYNW-UHFFFAOYSA-N 0 0 190.250 1.739 10 0 ADAERN Cc1ncc(C(F)F)c(CO)c1N 238460474 573637500 /nfs/dbraw/zinc/63/75/00/573637500.db2.gz REDHAHYNYCKEDB-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cc1oc(C(=O)[O-])c2c1[C@H]([NH3+])CC2 75589373 573637505 /nfs/dbraw/zinc/63/75/05/573637505.db2.gz LAHJJJJKPHUSGM-ZCFIWIBFSA-N 0 0 181.191 1.232 10 0 ADAERN CC[C@H](OCC(F)F)C(N)=S 130642786 573637523 /nfs/dbraw/zinc/63/75/23/573637523.db2.gz WWNSTPLJWUULLE-BYPYZUCNSA-N 0 0 183.223 1.333 10 0 ADAERN COCC(=O)N(C)[C@H](C)C1CCC1 393545711 573637527 /nfs/dbraw/zinc/63/75/27/573637527.db2.gz JKFMKCVWIMGOTH-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN C[C@]1(O)CCCc2cc(O)ccc21 238460503 573637529 /nfs/dbraw/zinc/63/75/29/573637529.db2.gz HISHEHPWQPVEFC-NSHDSACASA-N 0 0 178.231 1.936 10 0 ADAERN C[NH2+]Cc1ccc(N)c([S-])c1 259537980 573637535 /nfs/dbraw/zinc/63/75/35/573637535.db2.gz QUILXFNCYMGRCA-UHFFFAOYSA-N 0 0 168.265 1.277 10 0 ADAERN CC[C@@H]1CC[C@@H](c2noc(N)n2)C1 83803193 573637563 /nfs/dbraw/zinc/63/75/63/573637563.db2.gz AAXSCMCUPOHAKO-RNFRBKRXSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@H]1C[C@@H](c2ccccc2)C(=O)N1 238460625 573637565 /nfs/dbraw/zinc/63/75/65/573637565.db2.gz HXUXZNSLNOSRMW-WPRPVWTQSA-N 0 0 175.231 1.679 10 0 ADAERN CCCC(C)(C)CNC(=O)[C@H](C)O 258828294 573637566 /nfs/dbraw/zinc/63/75/66/573637566.db2.gz ODPQOIUHXNXTCJ-QMMMGPOBSA-N 0 0 187.283 1.310 10 0 ADAERN NC(=S)C1Cc2ccccc2C1 83791453 573637584 /nfs/dbraw/zinc/63/75/84/573637584.db2.gz ZCSNKTIYIFSWKJ-UHFFFAOYSA-N 0 0 177.272 1.688 10 0 ADAERN CNc1ccc2[nH]c([C@@H](C)O)nc2n1 86830906 573637591 /nfs/dbraw/zinc/63/75/91/573637591.db2.gz HIMGSPJXJVWVET-RXMQYKEDSA-N 0 0 192.222 1.053 10 0 ADAERN CCN[C@@H](C)c1nnc(CC)o1 50618886 573637593 /nfs/dbraw/zinc/63/75/93/573637593.db2.gz JWMNEWZLPNXWBB-LURJTMIESA-N 0 0 169.228 1.303 10 0 ADAERN C[C@]1(O)CC2(CCCC2)CC1=O 238460222 573637613 /nfs/dbraw/zinc/63/76/13/573637613.db2.gz HEUKVRWCTYQACJ-VIFPVBQESA-N 0 0 168.236 1.661 10 0 ADAERN C[C@H]1C[C@@H](CO)Cc2oc(C=O)cc21 75596405 573637618 /nfs/dbraw/zinc/63/76/18/573637618.db2.gz BDXQXLGEUISVCW-JGVFFNPUSA-N 0 0 194.230 1.750 10 0 ADAERN CC1(C)Nc2cccc(O)c2NC1=O 257845207 573637624 /nfs/dbraw/zinc/63/76/24/573637624.db2.gz ADPKUKGCIPFBBO-UHFFFAOYSA-N 0 0 192.218 1.535 10 0 ADAERN C[C@H](O)[C@H]1COc2ccccc2C1 83799833 573637638 /nfs/dbraw/zinc/63/76/38/573637638.db2.gz NOPKEFQPQIGQDV-WCBMZHEXSA-N 0 0 178.231 1.619 10 0 ADAERN C[C@H](CO)[C@@H]1Cc2ccc(O)cc2C1 257845044 573637642 /nfs/dbraw/zinc/63/76/42/573637642.db2.gz NKWNRKHBVUQCHG-PSASIEDQSA-N 0 0 192.258 1.735 10 0 ADAERN O[C@@H](Cc1nccs1)C(F)(F)F 86827233 573637644 /nfs/dbraw/zinc/63/76/44/573637644.db2.gz LFLNDJBJPAVOFB-BYPYZUCNSA-N 0 0 197.181 1.609 10 0 ADAERN CON(C)C(=O)c1csc(C)c1C 96755189 573637646 /nfs/dbraw/zinc/63/76/46/573637646.db2.gz OGKWIIAOXPWAFR-UHFFFAOYSA-N 0 0 199.275 1.998 10 0 ADAERN C[C@@H](O)[C@@H]1CCOc2ccccc21 83799691 573637648 /nfs/dbraw/zinc/63/76/48/573637648.db2.gz IBVMFLLWMMNEGL-BDAKNGLRSA-N 0 0 178.231 1.934 10 0 ADAERN O[C@H](Cc1nccs1)[C@@H]1CCCO1 86827286 573637651 /nfs/dbraw/zinc/63/76/51/573637651.db2.gz YTOOUTIQHPCRSG-SFYZADRCSA-N 0 0 199.275 1.226 10 0 ADAERN Nc1n[nH]nc1-c1ccc(Cl)cc1 257838037 573637652 /nfs/dbraw/zinc/63/76/52/573637652.db2.gz LHQSLLPSLLRYSV-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN O=C(Cc1cnccn1)C1CCCC1 259144922 573637654 /nfs/dbraw/zinc/63/76/54/573637654.db2.gz MPLVUITVCKXTRB-UHFFFAOYSA-N 0 0 190.246 1.778 10 0 ADAERN CC(=O)c1cc2c(o1)CCN(C)C2 75590636 573637670 /nfs/dbraw/zinc/63/76/70/573637670.db2.gz QTUITACZGCQUKB-UHFFFAOYSA-N 0 0 179.219 1.470 10 0 ADAERN CCCc1cn2c(n1)CC[C@H](O)C2 258412909 573637679 /nfs/dbraw/zinc/63/76/79/573637679.db2.gz OCCBXNOERUISJO-VIFPVBQESA-N 0 0 180.251 1.143 10 0 ADAERN C/C=C/C=C\C(=O)N[C@@H]1CCCC1=O 716034002 573637681 /nfs/dbraw/zinc/63/76/81/573637681.db2.gz BRWHQRBEJLVNPI-UXJYIAALSA-N 0 0 193.246 1.357 10 0 ADAERN C[NH+](C)C[C@]1(F)CC[C@@H](C(=O)[O-])C1 257844982 573637698 /nfs/dbraw/zinc/63/76/98/573637698.db2.gz NJNVVBFMQFPOMJ-APPZFPTMSA-N 0 0 189.230 1.141 10 0 ADAERN NCC(=O)OC1CCC(F)(F)CC1 221636297 573637712 /nfs/dbraw/zinc/63/77/12/573637712.db2.gz BXCYABFFFGUSMA-UHFFFAOYSA-N 0 0 193.193 1.066 10 0 ADAERN COC(C)(C)CC1([C@H](C)O)CC1 393586179 573637714 /nfs/dbraw/zinc/63/77/14/573637714.db2.gz AIAJNWORTUEZBU-QMMMGPOBSA-N 0 0 172.268 1.963 10 0 ADAERN Nc1onc(Cl)c1[C@@H]1CCOC1 257845102 573637731 /nfs/dbraw/zinc/63/77/31/573637731.db2.gz NMGZIVREIBNLBH-SCSAIBSYSA-N 0 0 188.614 1.414 10 0 ADAERN FC(F)c1ccn(-c2ccncn2)n1 86829505 573637735 /nfs/dbraw/zinc/63/77/35/573637735.db2.gz QFXQAPYUPLJXHA-UHFFFAOYSA-N 0 0 196.160 1.600 10 0 ADAERN CC[C@@H](OCC(F)F)C(N)=S 130643000 573637754 /nfs/dbraw/zinc/63/77/54/573637754.db2.gz WWNSTPLJWUULLE-SCSAIBSYSA-N 0 0 183.223 1.333 10 0 ADAERN C[C@@H]1C[C@H](CO)Cc2oc(C=O)cc21 75596401 573637760 /nfs/dbraw/zinc/63/77/60/573637760.db2.gz BDXQXLGEUISVCW-SFYZADRCSA-N 0 0 194.230 1.750 10 0 ADAERN C[C@@H](O)CCc1cccc2c1NCC2 257845036 573637763 /nfs/dbraw/zinc/63/77/63/573637763.db2.gz NKSPYDLTUYPOCM-SECBINFHSA-N 0 0 191.274 1.968 10 0 ADAERN CC[C@@H]1CC[C@H](c2noc(N)n2)C1 83803188 573637778 /nfs/dbraw/zinc/63/77/78/573637778.db2.gz AAXSCMCUPOHAKO-RQJHMYQMSA-N 0 0 181.239 1.946 10 0 ADAERN CCNC(=O)/C=C/c1ccc(N)cc1 96746656 573637779 /nfs/dbraw/zinc/63/77/79/573637779.db2.gz GVYNRDSOGZUVOO-VMPITWQZSA-N 0 0 190.246 1.418 10 0 ADAERN C[C@H]1Sc2ccoc2NC1=O 75595157 573637784 /nfs/dbraw/zinc/63/77/84/573637784.db2.gz RCSSRCAWNHZVDD-SCSAIBSYSA-N 0 0 169.205 1.712 10 0 ADAERN O[C@H](Cc1nccs1)[C@H]1CCCO1 86827288 573637786 /nfs/dbraw/zinc/63/77/86/573637786.db2.gz YTOOUTIQHPCRSG-HTQZYQBOSA-N 0 0 199.275 1.226 10 0 ADAERN CNc1ccc2[nH]c(C(F)F)nc2n1 86830925 573637792 /nfs/dbraw/zinc/63/77/92/573637792.db2.gz QKQAZMHWZDHTRQ-UHFFFAOYSA-N 0 0 198.176 1.937 10 0 ADAERN COC(=O)C(=O)Nc1sccc1C 258828189 573637801 /nfs/dbraw/zinc/63/78/01/573637801.db2.gz OBXBJSYVZHKWMT-UHFFFAOYSA-N 0 0 199.231 1.168 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1nccs1 86827144 573637813 /nfs/dbraw/zinc/63/78/13/573637813.db2.gz NKHISQTWVXLNSN-NKWVEPMBSA-N 0 0 181.260 1.911 10 0 ADAERN NC(=S)CCCCOCC(F)F 130643453 573637828 /nfs/dbraw/zinc/63/78/28/573637828.db2.gz JUVPYFUIWHVDGX-UHFFFAOYSA-N 0 0 197.250 1.725 10 0 ADAERN C[C@@H](C(=O)Nc1ccccc1)N(C)O 238460536 573637830 /nfs/dbraw/zinc/63/78/30/573637830.db2.gz GMUMKYHVVVJKIW-QMMMGPOBSA-N 0 0 194.234 1.335 10 0 ADAERN CCc1nc2nc(N(C)C)ccc2[nH]1 86830562 573637848 /nfs/dbraw/zinc/63/78/48/573637848.db2.gz LJAHTDJPXIFQPN-UHFFFAOYSA-N 0 0 190.250 1.586 10 0 ADAERN CC(=O)c1cc(-c2ccco2)n[nH]1 257845149 573637853 /nfs/dbraw/zinc/63/78/53/573637853.db2.gz AALXSFJTLZBVNA-UHFFFAOYSA-N 0 0 176.175 1.872 10 0 ADAERN C[C@H]1N(C(N)=S)CCCC1(C)C 238461149 573637861 /nfs/dbraw/zinc/63/78/61/573637861.db2.gz JYUJEDLGPBUNGN-SSDOTTSWSA-N 0 0 186.324 1.741 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Cc1nccs1 86827141 573637896 /nfs/dbraw/zinc/63/78/96/573637896.db2.gz NKHISQTWVXLNSN-RQJHMYQMSA-N 0 0 181.260 1.911 10 0 ADAERN OCC(F)(F)c1ccco1 257845448 573637898 /nfs/dbraw/zinc/63/78/98/573637898.db2.gz PWSQGAPJXKSEHK-UHFFFAOYSA-N 0 0 148.108 1.364 10 0 ADAERN O=Cc1nocc1-c1cccc(O)c1 257845405 573640092 /nfs/dbraw/zinc/64/00/92/573640092.db2.gz PVHCJTNEUOGEIP-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CO[C@H](c1ccc(C)o1)N(C)C 259146088 573640109 /nfs/dbraw/zinc/64/01/09/573640109.db2.gz KPODFXOSWXEOTD-SECBINFHSA-N 0 0 169.224 1.795 10 0 ADAERN Cc1oc(CO)nc1[C@H]1CCCOC1 257844899 573640112 /nfs/dbraw/zinc/64/01/12/573640112.db2.gz CTRNHEZIGRHULF-QMMMGPOBSA-N 0 0 197.234 1.369 10 0 ADAERN C[C@H]1[C@H](CNC(N)=O)CCC1(C)C 238461985 573640134 /nfs/dbraw/zinc/64/01/34/573640134.db2.gz KINAIVGKUZIDCJ-YUMQZZPRSA-N 0 0 184.283 1.727 10 0 ADAERN Nc1cnc(Cc2nccs2)cn1 86828038 573640138 /nfs/dbraw/zinc/64/01/38/573640138.db2.gz WBRSJQYQXUKIII-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]([NH3+])C(C)(C)C 259537814 573640142 /nfs/dbraw/zinc/64/01/42/573640142.db2.gz WUNZRPJBXDAZDJ-POYBYMJQSA-N 0 0 173.256 1.471 10 0 ADAERN O[C@H](Cc1nccs1)C(F)(F)F 86827234 573640150 /nfs/dbraw/zinc/64/01/50/573640150.db2.gz LFLNDJBJPAVOFB-SCSAIBSYSA-N 0 0 197.181 1.609 10 0 ADAERN COC(=O)C1(c2cccnc2)CCC1 259146795 573640156 /nfs/dbraw/zinc/64/01/56/573640156.db2.gz HXMCUDIZIPIBTC-UHFFFAOYSA-N 0 0 191.230 1.676 10 0 ADAERN Nc1ccc2[nH]c(CC3CC3)nc2n1 86830784 573640170 /nfs/dbraw/zinc/64/01/70/573640170.db2.gz ZGYXFIYNQANHKX-UHFFFAOYSA-N 0 0 188.234 1.493 10 0 ADAERN C[C@H](O)[C@@H]1COc2ccccc2C1 83799839 573640176 /nfs/dbraw/zinc/64/01/76/573640176.db2.gz NOPKEFQPQIGQDV-WPRPVWTQSA-N 0 0 178.231 1.619 10 0 ADAERN C[C@@H]1C[C@@H](CO)Cc2oc(C=O)cc21 75596404 573640193 /nfs/dbraw/zinc/64/01/93/573640193.db2.gz BDXQXLGEUISVCW-HTQZYQBOSA-N 0 0 194.230 1.750 10 0 ADAERN Cc1ncc(C(F)F)c(F)c1CO 238461377 573640201 /nfs/dbraw/zinc/64/02/01/573640201.db2.gz DGAMRRYIBYUDPM-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN Nc1coc2ncc3c(c12)CCC3 75585093 573640214 /nfs/dbraw/zinc/64/02/14/573640214.db2.gz IPTHDRMHBAPWCM-UHFFFAOYSA-N 0 0 174.203 1.899 10 0 ADAERN C[C@H]1CC(C)(C)N=C([C@@H](C)O)O1 238461343 573640227 /nfs/dbraw/zinc/64/02/27/573640227.db2.gz WEQNCRXUGNONBQ-NKWVEPMBSA-N 0 0 171.240 1.353 10 0 ADAERN O[C@H]1C=C(Cc2nccs2)CC1 86828490 573640230 /nfs/dbraw/zinc/64/02/30/573640230.db2.gz VSXCUQJTEOXILJ-MRVPVSSYSA-N 0 0 181.260 1.767 10 0 ADAERN CCOc1ccncc1C[C@H](C)CO 308652504 573640241 /nfs/dbraw/zinc/64/02/41/573640241.db2.gz LEMCOWHHMJVFAP-VIFPVBQESA-N 0 0 195.262 1.651 10 0 ADAERN C[C@@H](CO)CCc1nccs1 86828475 573640243 /nfs/dbraw/zinc/64/02/43/573640243.db2.gz BJTNHFRQSMCWIH-SSDOTTSWSA-N 0 0 171.265 1.704 10 0 ADAERN CC[C@H](CO)C(=O)c1ccc[nH]1 259145236 573640250 /nfs/dbraw/zinc/64/02/50/573640250.db2.gz NNRBGZKNWLLQTI-SSDOTTSWSA-N 0 0 167.208 1.216 10 0 ADAERN CC[C@H]1CC[C@@H](c2noc(CN)n2)C1 83791515 573640253 /nfs/dbraw/zinc/64/02/53/573640253.db2.gz DGOXOAXHRMPXJA-JGVFFNPUSA-N 0 0 195.266 1.822 10 0 ADAERN C[C@H](O)[C@H]1CC2CC1C2 257845392 573640275 /nfs/dbraw/zinc/64/02/75/573640275.db2.gz PUDYAMAJBKLRHT-FACXLHOTSA-N 0 0 126.199 1.413 10 0 ADAERN CC(=O)[C@@H]1C(=O)NC(C)(C)C[C@@H]1C 238461498 573640297 /nfs/dbraw/zinc/64/02/97/573640297.db2.gz FDSVAYSJKMJGNZ-POYBYMJQSA-N 0 0 183.251 1.126 10 0 ADAERN CCc1ccn(-c2ccncn2)n1 86829502 573640298 /nfs/dbraw/zinc/64/02/98/573640298.db2.gz KJIXRCPKIUDKQE-UHFFFAOYSA-N 0 0 174.207 1.225 10 0 ADAERN CC[C@H](CCCO)[C@H](C)O 78820695 573640309 /nfs/dbraw/zinc/64/03/09/573640309.db2.gz XFRSHJSIVZJQDL-JGVFFNPUSA-N 0 0 146.230 1.166 10 0 ADAERN Nc1cnc(COc2cccnc2)o1 257845675 573640312 /nfs/dbraw/zinc/64/03/12/573640312.db2.gz AFSJMNBNXZGPPX-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN CN(C)c1cc(C=O)ccc1F 259536787 573640319 /nfs/dbraw/zinc/64/03/19/573640319.db2.gz UUCVRAKDYITVRH-UHFFFAOYSA-N 0 0 167.183 1.704 10 0 ADAERN C[C@]1(O)COc2ccccc2N1 238461357 573640346 /nfs/dbraw/zinc/64/03/46/573640346.db2.gz QYKZCGYAABULLV-VIFPVBQESA-N 0 0 165.192 1.199 10 0 ADAERN CO[C@H](c1ccncc1)N(C)C 259146118 573640349 /nfs/dbraw/zinc/64/03/49/573640349.db2.gz KQUPFHMRTMNQOH-SECBINFHSA-N 0 0 166.224 1.288 10 0 ADAERN C[C@H](CO)CCc1nccs1 86828474 573640350 /nfs/dbraw/zinc/64/03/50/573640350.db2.gz BJTNHFRQSMCWIH-ZETCQYMHSA-N 0 0 171.265 1.704 10 0 ADAERN C[C@H]1CN(c2ccccc2)C[C@]1(C)O 257838039 573640352 /nfs/dbraw/zinc/64/03/52/573640352.db2.gz LHUGOAAYWQELOM-JQWIXIFHSA-N 0 0 191.274 1.894 10 0 ADAERN Cc1ccc(OC(=N)NC#N)cc1 238461714 573640357 /nfs/dbraw/zinc/64/03/57/573640357.db2.gz QZEAOINCDCTLQB-UHFFFAOYSA-N 0 0 175.191 1.379 10 0 ADAERN C/C=C\CC[C@H](NC(C)=O)OCC 223304915 573640361 /nfs/dbraw/zinc/64/03/61/573640361.db2.gz YCJFMEUSYCOVDF-AYYIZTPMSA-N 0 0 185.267 1.841 10 0 ADAERN Cc1oc(C(=O)[O-])c2c1[C@@H]([NH3+])CC2 75589371 573640380 /nfs/dbraw/zinc/64/03/80/573640380.db2.gz LAHJJJJKPHUSGM-LURJTMIESA-N 0 0 181.191 1.232 10 0 ADAERN C[C@H]1C(=O)OCCCCCC[C@H]1O 238461632 573640399 /nfs/dbraw/zinc/64/03/99/573640399.db2.gz PXIHJBFWYGRTCV-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN CC(=O)Nc1nc2c([nH]1)CC[C@H](C)C2 238461887 573640410 /nfs/dbraw/zinc/64/04/10/573640410.db2.gz QYYJJLYCXZKDEQ-LURJTMIESA-N 0 0 193.250 1.493 10 0 ADAERN O[C@H]1CCC[C@@H]1Cc1nccs1 86828131 573640416 /nfs/dbraw/zinc/64/04/16/573640416.db2.gz UIFSOASRTYFQCZ-SFYZADRCSA-N 0 0 183.276 1.847 10 0 ADAERN C[C@@H]1C(=O)C(C)(C)C[C@H]1CO 238462038 573640423 /nfs/dbraw/zinc/64/04/23/573640423.db2.gz FXYNYSYIOBEJGH-BQBZGAKWSA-N 0 0 156.225 1.230 10 0 ADAERN O[C@@H](Cc1nccs1)[C@@H]1CCCO1 86827285 573640437 /nfs/dbraw/zinc/64/04/37/573640437.db2.gz YTOOUTIQHPCRSG-YUMQZZPRSA-N 0 0 199.275 1.226 10 0 ADAERN CC[C@@H](CO)C(=O)c1ccc[nH]1 259145240 573640438 /nfs/dbraw/zinc/64/04/38/573640438.db2.gz NNRBGZKNWLLQTI-ZETCQYMHSA-N 0 0 167.208 1.216 10 0 ADAERN C[C@@H]1C[C@H]1/C=C/CO 238461440 573640440 /nfs/dbraw/zinc/64/04/40/573640440.db2.gz LJWLTEMXHPYEAV-WUCZRCLBSA-N 0 0 112.172 1.191 10 0 ADAERN COc1cc2c(c(C=O)c1F)OCO2 257845072 573640444 /nfs/dbraw/zinc/64/04/44/573640444.db2.gz NLIYLOOLZMAGCJ-UHFFFAOYSA-N 0 0 198.149 1.376 10 0 ADAERN CC(=O)c1ccc(N)c2c1OCCO2 149392028 573640454 /nfs/dbraw/zinc/64/04/54/573640454.db2.gz PGFJYIRSECQTLF-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN C[C@H](O)[C@@H]1CCOc2ccccc21 83799690 573640460 /nfs/dbraw/zinc/64/04/60/573640460.db2.gz IBVMFLLWMMNEGL-IUCAKERBSA-N 0 0 178.231 1.934 10 0 ADAERN C[C@H](O)[C@@H]1CN(C)c2ccccc21 257838071 573640468 /nfs/dbraw/zinc/64/04/68/573640468.db2.gz AZYKALVJVBEGRG-WPRPVWTQSA-N 0 0 177.247 1.601 10 0 ADAERN C[C@@H]1COc2ccccc2N1C(N)=O 238461640 573640481 /nfs/dbraw/zinc/64/04/81/573640481.db2.gz GTAPIHOCKPCWGO-SSDOTTSWSA-N 0 0 192.218 1.353 10 0 ADAERN CCCc1cn2c(n1)CC[C@@H](O)C2 258412905 573640516 /nfs/dbraw/zinc/64/05/16/573640516.db2.gz OCCBXNOERUISJO-SECBINFHSA-N 0 0 180.251 1.143 10 0 ADAERN Cc1nn(C)c2cc(N)c(F)cc12 259538532 573640528 /nfs/dbraw/zinc/64/05/28/573640528.db2.gz SHUVBVYVTCXMJD-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN COc1ccc(OC)c(N(C)C)c1N 75599344 573640544 /nfs/dbraw/zinc/64/05/44/573640544.db2.gz XRYGTCIUWFHXKG-UHFFFAOYSA-N 0 0 196.250 1.352 10 0 ADAERN Cc1cc(C=O)c(Cl)nn1 238461724 573640546 /nfs/dbraw/zinc/64/05/46/573640546.db2.gz WBLVLYFEHJDGQL-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN C[C@H]1Oc2ccsc2NC1=O 75592270 573640551 /nfs/dbraw/zinc/64/05/51/573640551.db2.gz WJURFWFOPHMDCQ-SCSAIBSYSA-N 0 0 169.205 1.468 10 0 ADAERN Oc1ccc(O[C@@H]2CCCOC2)cc1 75596310 573640576 /nfs/dbraw/zinc/64/05/76/573640576.db2.gz SCRYQFPRMPIRNV-LLVKDONJSA-N 0 0 194.230 1.950 10 0 ADAERN Cc1ccc(OC(=N)NC#N)c(C)c1 238461695 573640607 /nfs/dbraw/zinc/64/06/07/573640607.db2.gz SORARYZNXVPRLF-UHFFFAOYSA-N 0 0 189.218 1.688 10 0 ADAERN O=C1CN[C@@H](c2cccc(F)c2)C1 258826721 573640610 /nfs/dbraw/zinc/64/06/10/573640610.db2.gz IWTONXXFIRJAIZ-SNVBAGLBSA-N 0 0 179.194 1.429 10 0 ADAERN C[C@H]1[C@H](CCO)CCC12OCCO2 238461667 573640611 /nfs/dbraw/zinc/64/06/11/573640611.db2.gz XHUCIIQUTTWZGR-IUCAKERBSA-N 0 0 186.251 1.158 10 0 ADAERN CSCCC(=O)c1c(C)cnn1C 393586226 573640620 /nfs/dbraw/zinc/64/06/20/573640620.db2.gz UABRHXXRPSBVJZ-UHFFFAOYSA-N 0 0 198.291 1.664 10 0 ADAERN C[C@@H]1Oc2ccsc2NC1=O 75592272 573640624 /nfs/dbraw/zinc/64/06/24/573640624.db2.gz WJURFWFOPHMDCQ-BYPYZUCNSA-N 0 0 169.205 1.468 10 0 ADAERN C[C@H]1[C@H](CO)CC1(C)C 238462054 573640648 /nfs/dbraw/zinc/64/06/48/573640648.db2.gz KTVIDQXJPJEWKU-BQBZGAKWSA-N 0 0 128.215 1.661 10 0 ADAERN Cc1oc(CO)nc1[C@@H]1CCCOC1 257844898 573640655 /nfs/dbraw/zinc/64/06/55/573640655.db2.gz CTRNHEZIGRHULF-MRVPVSSYSA-N 0 0 197.234 1.369 10 0 ADAERN CC(C)(C)c1nc2nc(N)ccc2[nH]1 86830787 573640657 /nfs/dbraw/zinc/64/06/57/573640657.db2.gz ASRFUEHHMJWQRC-UHFFFAOYSA-N 0 0 190.250 1.838 10 0 ADAERN COC(=O)[C@@](N)([C@@H](C)F)C(C)(C)C 257844978 573640665 /nfs/dbraw/zinc/64/06/65/573640665.db2.gz NJNNPNUFWAJKOA-MUWHJKNJSA-N 0 0 191.246 1.261 10 0 ADAERN Cc1cc(Cl)n(-c2ccncn2)n1 86829483 573640674 /nfs/dbraw/zinc/64/06/74/573640674.db2.gz RSSDBBSGPPUBJO-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN CCO[C@H]1CC[C@]1(C)[C@@H](O)CC 238295678 573640694 /nfs/dbraw/zinc/64/06/94/573640694.db2.gz SLGGXYMXDKFZGH-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cc([C@H]([NH3+])[C@H](C)O)c(F)cc1N 238461356 573640712 /nfs/dbraw/zinc/64/07/12/573640712.db2.gz ZEISEVGXEHJPFD-QUBYGPBYSA-N 0 0 198.241 1.097 10 0 ADAERN Cc1nc(C=O)nc2c1CCSC2 257845086 573640759 /nfs/dbraw/zinc/64/07/59/573640759.db2.gz NLOHNASXKSSHDH-UHFFFAOYSA-N 0 0 194.259 1.387 10 0 ADAERN C[C@@H]1COc2cccc(O)c2OC1 238461573 573640762 /nfs/dbraw/zinc/64/07/62/573640762.db2.gz UFWMVVWYYBKJKH-SSDOTTSWSA-N 0 0 180.203 1.800 10 0 ADAERN CN(C)c1ccc2[nH]cnc2n1 86830551 573640777 /nfs/dbraw/zinc/64/07/77/573640777.db2.gz FHOUBVZFDJVWJN-UHFFFAOYSA-N 0 0 162.196 1.024 10 0 ADAERN CC(=O)[C@]1(O)CCCC[C@H]1C 238461794 573640779 /nfs/dbraw/zinc/64/07/79/573640779.db2.gz IZOFZQPFYRXMQB-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308651796 573640781 /nfs/dbraw/zinc/64/07/81/573640781.db2.gz KZBZJHZUSJBSSR-WYOJIJJFSA-N 0 0 197.278 1.628 10 0 ADAERN CC(C)Cc1cc2ncc(N)cn2n1 259536829 573640785 /nfs/dbraw/zinc/64/07/85/573640785.db2.gz UVQYAUKTHNHJKQ-UHFFFAOYSA-N 0 0 190.250 1.510 10 0 ADAERN CC(C)[C@H](CO)c1ccc[nH]1 259146844 573640809 /nfs/dbraw/zinc/64/08/09/573640809.db2.gz HYCKPHXSGFBYIA-QMMMGPOBSA-N 0 0 153.225 1.747 10 0 ADAERN COC(=N)[C@@H]1COc2ccccc2C1 83802736 573640815 /nfs/dbraw/zinc/64/08/15/573640815.db2.gz ZURVDRRYWLYLBS-VIFPVBQESA-N 0 0 191.230 1.861 10 0 ADAERN c1cnc(CNCc2ccoc2)nc1 130649674 573640829 /nfs/dbraw/zinc/64/08/29/573640829.db2.gz PAZKVINUUABQAR-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN CN1CC(C)(C)Nc2ccoc21 75596943 573640834 /nfs/dbraw/zinc/64/08/34/573640834.db2.gz HHAVIURJGMXTEG-UHFFFAOYSA-N 0 0 166.224 1.920 10 0 ADAERN CC/C=C(\C)C(=O)N[C@@H]1CCCC1=O 716042721 573640841 /nfs/dbraw/zinc/64/08/41/573640841.db2.gz UDOXWNJLOVYJEP-WHXYTISESA-N 0 0 195.262 1.581 10 0 ADAERN C[C@@H]1[C@H](O)CCN1c1ccccc1 238461790 573640844 /nfs/dbraw/zinc/64/08/44/573640844.db2.gz FNCJHTVMBUDYIU-MWLCHTKSSA-N 0 0 177.247 1.646 10 0 ADAERN C[C@H]1[C@@H](C(C)(C)O)CC[C@H]1O 238461897 573640853 /nfs/dbraw/zinc/64/08/53/573640853.db2.gz BVGVTCMLOVHHEO-BIIVOSGPSA-N 0 0 158.241 1.164 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)CCC(N)=O 238461838 573640862 /nfs/dbraw/zinc/64/08/62/573640862.db2.gz WJZWNCZKNZLIKB-PSASIEDQSA-N 0 0 185.267 1.193 10 0 ADAERN O=Cc1cnn([C@H]2CCCSC2)c1 257844908 573640869 /nfs/dbraw/zinc/64/08/69/573640869.db2.gz NHWMWCHRVVCWDU-VIFPVBQESA-N 0 0 196.275 1.764 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(C2CC2)cc(=O)[nH]1 83806101 573643552 /nfs/dbraw/zinc/64/35/52/573643552.db2.gz PXGJASSTPXUXMA-SVRRBLITSA-N 0 0 190.246 1.771 10 0 ADAERN CC1(C)CCC[C@H](n2ccnc2)[C@H]1O 86846621 573643560 /nfs/dbraw/zinc/64/35/60/573643560.db2.gz LBMXMHPUDVBIHA-VHSXEESVSA-N 0 0 194.278 1.995 10 0 ADAERN C[C@H]1CCc2ccc(C(N)=O)cc2N1 238463594 573643563 /nfs/dbraw/zinc/64/35/63/573643563.db2.gz GJPNGHVYLZIVAE-ZETCQYMHSA-N 0 0 190.246 1.532 10 0 ADAERN C[NH2+][C@H](CC(C)(C)C(=O)[O-])C1CCC1 259152498 573643591 /nfs/dbraw/zinc/64/35/91/573643591.db2.gz CNLVVXBKXXGXEQ-SECBINFHSA-N 0 0 199.294 1.875 10 0 ADAERN O=Cc1coc([C@H]2CCSC2)n1 259538835 573643598 /nfs/dbraw/zinc/64/35/98/573643598.db2.gz BRIBXFBCMIWWSX-LURJTMIESA-N 0 0 183.232 1.708 10 0 ADAERN C[C@@H]([NH+]1CCCCC1)C1(C(=O)[O-])CC1 257838858 573643599 /nfs/dbraw/zinc/64/35/99/573643599.db2.gz AZXMAYCRFMOWGN-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN COCc1cc(F)nc(C2(C)CC2)n1 690048539 573643608 /nfs/dbraw/zinc/64/36/08/573643608.db2.gz QIAAZDHKXGMGNX-UHFFFAOYSA-N 0 0 196.225 1.814 10 0 ADAERN C/C=C(C)/C=C/C(=O)NCC(F)F 393546068 573643620 /nfs/dbraw/zinc/64/36/20/573643620.db2.gz GGLOIRWFWJDYCP-JLVHPEPXSA-N 0 0 189.205 1.890 10 0 ADAERN CNC(C)(C)c1nc([C@H]2C[C@@H]2C)no1 83805572 573643636 /nfs/dbraw/zinc/64/36/36/573643636.db2.gz PFQGPIHLPHEIHN-BQBZGAKWSA-N 0 0 195.266 1.648 10 0 ADAERN OCc1ccc2c(c1)C1(CC1)CN2 107784275 573643650 /nfs/dbraw/zinc/64/36/50/573643650.db2.gz VHCAFPXNAMJBLT-UHFFFAOYSA-N 0 0 175.231 1.636 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C)[nH]c(=O)c1C 83806049 573643654 /nfs/dbraw/zinc/64/36/54/573643654.db2.gz JSUUKVUZFRQCJA-YLWLKBPMSA-N 0 0 178.235 1.510 10 0 ADAERN CCc1c(O)nc([C@H]2C[C@H]2C)[nH]c1=O 83806132 573642907 /nfs/dbraw/zinc/64/29/07/573642907.db2.gz ATZYOEPTDHGKMC-VDTYLAMSSA-N 0 0 194.234 1.161 10 0 ADAERN Nc1cc(O)ccc1C[C@@H]1CCOC1 257838699 573642913 /nfs/dbraw/zinc/64/29/13/573642913.db2.gz LLNIPVGNECDGQQ-QMMMGPOBSA-N 0 0 193.246 1.553 10 0 ADAERN OC1(c2cccc(C3(O)CC3)c2)CC1 259538517 573642921 /nfs/dbraw/zinc/64/29/21/573642921.db2.gz UXDCBOALTMWQJB-UHFFFAOYSA-N 0 0 190.242 1.649 10 0 ADAERN CCn1cc(C(=O)[C@@H]2C[C@@H]2C)cn1 83806513 573642934 /nfs/dbraw/zinc/64/29/34/573642934.db2.gz MLJHQPIBMNXMBG-IONNQARKSA-N 0 0 178.235 1.742 10 0 ADAERN Cc1ccc(CC(=N)NC#N)cc1C 238463837 573642936 /nfs/dbraw/zinc/64/29/36/573642936.db2.gz ALQBESIBEVTKEP-UHFFFAOYSA-N 0 0 187.246 1.894 10 0 ADAERN CNC(C)(C)c1nc([C@@H]2C[C@@H]2C)no1 83805576 573642941 /nfs/dbraw/zinc/64/29/41/573642941.db2.gz PFQGPIHLPHEIHN-NKWVEPMBSA-N 0 0 195.266 1.648 10 0 ADAERN CC[C@H]1[C@@H](C(=O)[O-])C2CC[NH+]1CC2 259538549 573643000 /nfs/dbraw/zinc/64/30/00/573643000.db2.gz BPTCOGHPTQVALV-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H](N)c1nc([C@H]2CCCN2C)co1 257839574 573643001 /nfs/dbraw/zinc/64/30/01/573643001.db2.gz BIAOKIHZGGDUKD-IONNQARKSA-N 0 0 195.266 1.461 10 0 ADAERN CN[C@H](C)c1nc([C@H]2C[C@H]2C)no1 83805682 573643017 /nfs/dbraw/zinc/64/30/17/573643017.db2.gz UYUBEOPVSAMSDG-QYNIQEEDSA-N 0 0 181.239 1.473 10 0 ADAERN C[NH2+][C@@H](c1cc[nH]c1)C(C)(C)C(=O)[O-] 259150096 573643027 /nfs/dbraw/zinc/64/30/27/573643027.db2.gz CKPGIMCRHBJVRC-QMMMGPOBSA-N 0 0 196.250 1.386 10 0 ADAERN CC(C)(O)Cc1cccc2c1NCC2 257838528 573643057 /nfs/dbraw/zinc/64/30/57/573643057.db2.gz LIFBAIMNTAWKNJ-UHFFFAOYSA-N 0 0 191.274 1.968 10 0 ADAERN CC[C@H]1CC[C@@H](c2ncnc(N)n2)C1 83803833 573643062 /nfs/dbraw/zinc/64/30/62/573643062.db2.gz XAJYPZHVYAFWGT-JGVFFNPUSA-N 0 0 192.266 1.748 10 0 ADAERN COc1cccc([C@@H](CCO)ON)c1 257838522 573643064 /nfs/dbraw/zinc/64/30/64/573643064.db2.gz LHZGOODTBDXKNY-SNVBAGLBSA-N 0 0 197.234 1.009 10 0 ADAERN CCn1ccnc1C(=O)[C@@H]1C[C@H]1C 83807121 573643067 /nfs/dbraw/zinc/64/30/67/573643067.db2.gz WZXGXOTWZZIICA-HTQZYQBOSA-N 0 0 178.235 1.742 10 0 ADAERN COc1ccc(-c2cocn2)cc1N 259538580 573643072 /nfs/dbraw/zinc/64/30/72/573643072.db2.gz BPUPFHAUCZBHFI-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN C[C@H]1Sc2c(N)cccc2NC1=O 259150943 573643075 /nfs/dbraw/zinc/64/30/75/573643075.db2.gz HZONVUSVSVTDNB-RXMQYKEDSA-N 0 0 194.259 1.702 10 0 ADAERN C[C@](O)(CO)CCc1ccc(F)cc1 257838831 573643077 /nfs/dbraw/zinc/64/30/77/573643077.db2.gz JIQGHCKLQQMKQR-LLVKDONJSA-N 0 0 198.237 1.502 10 0 ADAERN CCc1c(O)nc([C@@H]2C[C@H]2C)[nH]c1=O 83806130 573643092 /nfs/dbraw/zinc/64/30/92/573643092.db2.gz ATZYOEPTDHGKMC-IYSWYEEDSA-N 0 0 194.234 1.161 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1cccnc1N 83806608 573643111 /nfs/dbraw/zinc/64/31/11/573643111.db2.gz WEDRHPKDKDAUOG-CBAPKCEASA-N 0 0 190.246 1.431 10 0 ADAERN Clc1cnccc1-n1cncn1 86841444 573643115 /nfs/dbraw/zinc/64/31/15/573643115.db2.gz DDCSEWBUGYZWSZ-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN CO[C@H]1CCCC(C)(C)[C@@H]1O 86846754 573643124 /nfs/dbraw/zinc/64/31/24/573643124.db2.gz BXXCOTOXQRSCOC-JGVFFNPUSA-N 0 0 158.241 1.572 10 0 ADAERN CCNc1cc(NC#N)nc(C)n1 258835376 573643154 /nfs/dbraw/zinc/64/31/54/573643154.db2.gz WZBPSOIHJXHXAN-UHFFFAOYSA-N 0 0 177.211 1.110 10 0 ADAERN Cc1n[nH]cc1CC[C@@H](C)N(C)O 96864500 573643171 /nfs/dbraw/zinc/64/31/71/573643171.db2.gz NWBPJRPBJUPKSC-SSDOTTSWSA-N 0 0 183.255 1.360 10 0 ADAERN CCCc1cc(=O)[nH]c([C@@H]2C[C@H]2C)n1 83806015 573643176 /nfs/dbraw/zinc/64/31/76/573643176.db2.gz VACPTKCPOHIYEQ-VXNVDRBHSA-N 0 0 192.262 1.846 10 0 ADAERN CC(C)OC(=O)CNCc1ccoc1 130659247 573643182 /nfs/dbraw/zinc/64/31/82/573643182.db2.gz AXYYAYYCJPLDIC-UHFFFAOYSA-N 0 0 197.234 1.321 10 0 ADAERN CC(C)[C@@H](N)c1nc([C@@H]2C[C@H]2C)no1 83805232 573643232 /nfs/dbraw/zinc/64/32/32/573643232.db2.gz SQWMEZBNZJQAFC-BWZBUEFSSA-N 0 0 195.266 1.849 10 0 ADAERN C[C@@H]1CCCC[C@@]2(C1)NC(=O)NC2=O 238462577 573643234 /nfs/dbraw/zinc/64/32/34/573643234.db2.gz RQIVQDBNVIIJIL-XCBNKYQSSA-N 0 0 196.250 1.165 10 0 ADAERN C[C@H]1N=C1C(=O)c1ccccc1 238463846 573643240 /nfs/dbraw/zinc/64/32/40/573643240.db2.gz MCZBURUOSBDNAZ-SSDOTTSWSA-N 0 0 159.188 1.712 10 0 ADAERN CC1(C)CCC[C@@H](n2cccn2)[C@H]1O 86846655 573643259 /nfs/dbraw/zinc/64/32/59/573643259.db2.gz MLEAZSAQOVVDCE-NXEZZACHSA-N 0 0 194.278 1.995 10 0 ADAERN CCO[C@H]1CCCC(C)(C)[C@@H]1O 86846761 573643293 /nfs/dbraw/zinc/64/32/93/573643293.db2.gz IAZMPRGPJFJLKD-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN CCOC(=O)c1noc(N)c1C(C)C 257839309 573643297 /nfs/dbraw/zinc/64/32/97/573643297.db2.gz JLGJATHBWCRJDX-UHFFFAOYSA-N 0 0 198.222 1.557 10 0 ADAERN C[C@H]([NH2+]Cc1ccoc1)[C@H](C)C(=O)[O-] 130662968 573643302 /nfs/dbraw/zinc/64/33/02/573643302.db2.gz OLXYOLRJYOQNCI-YUMQZZPRSA-N 0 0 197.234 1.478 10 0 ADAERN CC1(c2ccco2)COC1 258829318 573643319 /nfs/dbraw/zinc/64/33/19/573643319.db2.gz ZNQKZDUDETZXCD-UHFFFAOYSA-N 0 0 138.166 1.568 10 0 ADAERN C[C@H]1CCC[C@](C)(CO)C1=O 238464047 573643334 /nfs/dbraw/zinc/64/33/34/573643334.db2.gz VGXUJODQPCSKRW-IONNQARKSA-N 0 0 156.225 1.374 10 0 ADAERN CC(C)(O)[C@H]1CNc2ccccc21 257838969 573643346 /nfs/dbraw/zinc/64/33/46/573643346.db2.gz BGEQLPYUMOUKQV-VIFPVBQESA-N 0 0 177.247 1.967 10 0 ADAERN CCc1c(O)nc([C@@H]2C[C@@H]2C)[nH]c1=O 83806126 573643408 /nfs/dbraw/zinc/64/34/08/573643408.db2.gz ATZYOEPTDHGKMC-CAHLUQPWSA-N 0 0 194.234 1.161 10 0 ADAERN OC[C@@H]1CC[C@](O)(C(F)(F)F)C1 107784931 573643423 /nfs/dbraw/zinc/64/34/23/573643423.db2.gz SAEKNDGRXUQCSA-PHDIDXHHSA-N 0 0 184.157 1.072 10 0 ADAERN C[C@H](O)[C@@H](F)CC1CC1 257839238 573643427 /nfs/dbraw/zinc/64/34/27/573643427.db2.gz NGPIPWDPNFSPQF-FSPLSTOPSA-N 0 0 132.178 1.505 10 0 ADAERN C[C@H]1CC(C)(C)[C@@H](O)O1 238462661 573643430 /nfs/dbraw/zinc/64/34/30/573643430.db2.gz OIKCRJHAOUVCBC-WDSKDSINSA-N 0 0 130.187 1.140 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cccnc1N 83807143 573643434 /nfs/dbraw/zinc/64/34/34/573643434.db2.gz BQWQZOBUDLHYEH-XPUUQOCRSA-N 0 0 176.219 1.503 10 0 ADAERN CC1(C)CCCC[C@@]12CC(=O)NC2=O 86844598 573643439 /nfs/dbraw/zinc/64/34/39/573643439.db2.gz XOSJUGCAKRHLIY-NSHDSACASA-N 0 0 195.262 1.620 10 0 ADAERN CC(C)[C@@H](N)c1nc([C@H]2C[C@@H]2C)no1 83805231 573643444 /nfs/dbraw/zinc/64/34/44/573643444.db2.gz SQWMEZBNZJQAFC-BIIVOSGPSA-N 0 0 195.266 1.849 10 0 ADAERN C[C@H]1CCc2cccc(C(N)=O)c2N1 238463959 573643446 /nfs/dbraw/zinc/64/34/46/573643446.db2.gz QRZVCIQWTHHLQY-ZETCQYMHSA-N 0 0 190.246 1.532 10 0 ADAERN C[C@@H]([NH2+]Cc1ccoc1)[C@@H](C)C(=O)[O-] 130662787 573643461 /nfs/dbraw/zinc/64/34/61/573643461.db2.gz OLXYOLRJYOQNCI-HTQZYQBOSA-N 0 0 197.234 1.478 10 0 ADAERN NN[C@H](CC1CCCC1)C1=COCC1 308654527 573643466 /nfs/dbraw/zinc/64/34/66/573643466.db2.gz MOXSYQNGGBBVDY-LLVKDONJSA-N 0 0 196.294 1.703 10 0 ADAERN CC[C@@H]1[C@@H](C(=O)[O-])C2CC[NH+]1CC2 259538527 573643498 /nfs/dbraw/zinc/64/34/98/573643498.db2.gz BPTCOGHPTQVALV-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN CC[C@@H]1CC[C@H](c2ncnc(N)n2)C1 83803828 573643502 /nfs/dbraw/zinc/64/35/02/573643502.db2.gz XAJYPZHVYAFWGT-SFYZADRCSA-N 0 0 192.266 1.748 10 0 ADAERN Cc1nc([C@@H]2CCOC2)sc1C=O 257839527 573643529 /nfs/dbraw/zinc/64/35/29/573643529.db2.gz BGGRKKVCAYVDBJ-SSDOTTSWSA-N 0 0 197.259 1.768 10 0 ADAERN CNc1cc(C)nc([C@@H]2C[C@@H]2C)n1 83810041 573647942 /nfs/dbraw/zinc/64/79/42/573647942.db2.gz IUTOSMNOIBNKTP-POYBYMJQSA-N 0 0 177.251 1.950 10 0 ADAERN Cc1ccc(C=O)c2nn(C)cc12 259540304 573647094 /nfs/dbraw/zinc/64/70/94/573647094.db2.gz SLLLQMZSGPJMCR-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]1[NH2+]C1CC=CC1 236437724 573647113 /nfs/dbraw/zinc/64/71/13/573647113.db2.gz GFOJBFZQDYXAHJ-RKDXNWHRSA-N 0 0 181.235 1.158 10 0 ADAERN C[C@@]1(CO)CC[C@](O)(C(F)(F)F)C1 107785076 573647155 /nfs/dbraw/zinc/64/71/55/573647155.db2.gz NYDHFLYPRVQVQE-RNFRBKRXSA-N 0 0 198.184 1.462 10 0 ADAERN NN[C@@H](CC1CCCC1)C1=COCC1 308654528 573647161 /nfs/dbraw/zinc/64/71/61/573647161.db2.gz MOXSYQNGGBBVDY-NSHDSACASA-N 0 0 196.294 1.703 10 0 ADAERN CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)C 43334522 573647181 /nfs/dbraw/zinc/64/71/81/573647181.db2.gz UMRBRMGTVOKSKR-PSASIEDQSA-N 0 0 182.267 1.620 10 0 ADAERN Nc1c2c(nn1C1CC1)CCC2 258588753 573647188 /nfs/dbraw/zinc/64/71/88/573647188.db2.gz SZHCYJFEDXBGNG-UHFFFAOYSA-N 0 0 163.224 1.289 10 0 ADAERN C[C@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC1 43334704 573647194 /nfs/dbraw/zinc/64/71/94/573647194.db2.gz MWNHMANUXIPRGV-KWQFWETISA-N 0 0 194.278 1.762 10 0 ADAERN CC1(c2cccc(O)c2)OCCO1 107769946 573647211 /nfs/dbraw/zinc/64/72/11/573647211.db2.gz BKBDDUCWMKYPPO-UHFFFAOYSA-N 0 0 180.203 1.612 10 0 ADAERN Oc1ccc(NC[C@H]2CCCO2)cc1 107786976 573647233 /nfs/dbraw/zinc/64/72/33/573647233.db2.gz IBVCSUZYTYXPLB-LLVKDONJSA-N 0 0 193.246 1.983 10 0 ADAERN C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C12CCC2 107781554 573647237 /nfs/dbraw/zinc/64/72/37/573647237.db2.gz QQHUXCNICBUMRZ-JGVFFNPUSA-N 0 0 183.251 1.097 10 0 ADAERN CC[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C12CCC2 107781344 573647255 /nfs/dbraw/zinc/64/72/55/573647255.db2.gz NTUBKFCNOXGLBS-RKDXNWHRSA-N 0 0 197.278 1.487 10 0 ADAERN COc1ccc(F)cc1CN(C)CO 258832669 573647261 /nfs/dbraw/zinc/64/72/61/573647261.db2.gz BLJIXIFRZHFOGQ-UHFFFAOYSA-N 0 0 199.225 1.216 10 0 ADAERN Cc1ncc(C(F)F)cc1N 238464198 573647292 /nfs/dbraw/zinc/64/72/92/573647292.db2.gz KHIIDZKSCQLRRV-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN C[C@H]1C[C@@H]2NC(=O)O[C@@H]2C[C@@H]1C 238464152 573647300 /nfs/dbraw/zinc/64/73/00/573647300.db2.gz RPIOEPQWTXPCCN-DKXJUACHSA-N 0 0 169.224 1.529 10 0 ADAERN CC(=O)C1=NN[C@H](C)C1(C)C 238464144 573647313 /nfs/dbraw/zinc/64/73/13/573647313.db2.gz NMFYTASSQHZRIC-RNFRBKRXSA-N 0 0 154.213 1.825 10 0 ADAERN CCc1cc(N)nc([C@@H]2C[C@@H]2C)n1 83810013 573647345 /nfs/dbraw/zinc/64/73/45/573647345.db2.gz LIQCGKGAICLNIT-POYBYMJQSA-N 0 0 177.251 1.745 10 0 ADAERN CC(=O)[C@H](O)[C@H]1CC=C(C)C[C@@H]1C 238464192 573647353 /nfs/dbraw/zinc/64/73/53/573647353.db2.gz JXJWIAKAAZONQP-LSJOCFKGSA-N 0 0 182.263 1.929 10 0 ADAERN CC(C)(C)CC[C@@H](NN)C1=COCC1 308653183 573647363 /nfs/dbraw/zinc/64/73/63/573647363.db2.gz LQXPKZPAMDXMDG-SNVBAGLBSA-N 0 0 198.310 1.949 10 0 ADAERN CC(C)(C)c1no[nH]c1=O 82409798 573647384 /nfs/dbraw/zinc/64/73/84/573647384.db2.gz WPVYCRVUGSYGOY-UHFFFAOYSA-N 0 0 142.158 1.073 10 0 ADAERN Cc1ccnc(N)c1C(=O)[C@@H]1C[C@@H]1C 83807291 573647391 /nfs/dbraw/zinc/64/73/91/573647391.db2.gz BAZSPDZBFBNGAB-JGVFFNPUSA-N 0 0 190.246 1.811 10 0 ADAERN C[C@@H]1C[C@H]1c1noc(Cl)n1 83809671 573647401 /nfs/dbraw/zinc/64/74/01/573647401.db2.gz INFXHJIJTFEAAY-QWWZWVQMSA-N 0 0 158.588 1.846 10 0 ADAERN CC[C@@H](O)[C@@H]1C[C@@H]1C 83807473 573647434 /nfs/dbraw/zinc/64/74/34/573647434.db2.gz BLNMNBHHOXRJRI-RRKCRQDMSA-N 0 0 114.188 1.413 10 0 ADAERN CCC[C@@H](O)[C@H]1C[C@@H]1C 83807721 573647450 /nfs/dbraw/zinc/64/74/50/573647450.db2.gz JGMNDKZDGMNXPV-BIIVOSGPSA-N 0 0 128.215 1.803 10 0 ADAERN Oc1cccc(NC[C@@H]2CCCO2)c1 107765282 573647458 /nfs/dbraw/zinc/64/74/58/573647458.db2.gz XAWMELWZUXKTCD-NSHDSACASA-N 0 0 193.246 1.983 10 0 ADAERN C[C@H]1CCC[C@](C)(O)CC1=O 238464110 573647465 /nfs/dbraw/zinc/64/74/65/573647465.db2.gz AQJNQVNLJRVXST-CBAPKCEASA-N 0 0 156.225 1.517 10 0 ADAERN COc1ccc2c(c1)NCC(=O)S2 259150748 573647468 /nfs/dbraw/zinc/64/74/68/573647468.db2.gz HVRZCRJUHNAKEU-UHFFFAOYSA-N 0 0 195.243 1.739 10 0 ADAERN CCc1cc(N)nc([C@@H]2C[C@H]2C)n1 83810015 573647474 /nfs/dbraw/zinc/64/74/74/573647474.db2.gz LIQCGKGAICLNIT-HTRCEHHLSA-N 0 0 177.251 1.745 10 0 ADAERN Cc1cnc(N)c([C@H](O)[C@@H]2C[C@@H]2C)c1 83808008 573647505 /nfs/dbraw/zinc/64/75/05/573647505.db2.gz JYUSADGJBGDZNT-QXFUBDJGSA-N 0 0 192.262 1.662 10 0 ADAERN Cc1ccccc1C(=O)[C@@H]1CO1 238464084 573647508 /nfs/dbraw/zinc/64/75/08/573647508.db2.gz OOOUGJRGNKVXHL-VIFPVBQESA-N 0 0 162.188 1.577 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)C1CC1 83807498 573647521 /nfs/dbraw/zinc/64/75/21/573647521.db2.gz QVBQXAZLOSCTMO-LPBLVHEISA-N 0 0 126.199 1.413 10 0 ADAERN CCC[C@@H]1[C@H]2CC[C@@H](C[C@H]1C(=O)[O-])[NH2+]2 258075075 573647522 /nfs/dbraw/zinc/64/75/22/573647522.db2.gz LVVULPRMNRVTGE-AXTSPUMRSA-N 0 0 197.278 1.628 10 0 ADAERN c1nocc1OC[C@H]1CCCOC1 258833191 573647545 /nfs/dbraw/zinc/64/75/45/573647545.db2.gz ZDMMFRLBLXFCCB-QMMMGPOBSA-N 0 0 183.207 1.480 10 0 ADAERN CC[C@H]([C@H](C(=O)[O-])C(C)C)[NH+](C)C 259539704 573647551 /nfs/dbraw/zinc/64/75/51/573647551.db2.gz NRBOZASIQASUAM-RKDXNWHRSA-N 0 0 187.283 1.683 10 0 ADAERN Cc1ccccc1C(=O)[C@H]1CO1 238464177 573647568 /nfs/dbraw/zinc/64/75/68/573647568.db2.gz OOOUGJRGNKVXHL-SECBINFHSA-N 0 0 162.188 1.577 10 0 ADAERN COc1cc(O)ccc1C(C)(C)CO 257839985 573647575 /nfs/dbraw/zinc/64/75/75/573647575.db2.gz NIYWJPMTRBHQJS-UHFFFAOYSA-N 0 0 196.246 1.671 10 0 ADAERN CCC[C@H]1[C@@H](C(=O)[O-])C[C@@H]2CC[C@H]1[NH2+]2 258075070 573647577 /nfs/dbraw/zinc/64/75/77/573647577.db2.gz LVVULPRMNRVTGE-AATLWQCWSA-N 0 0 197.278 1.628 10 0 ADAERN Cc1ncc(C(F)F)cc1CO 238464111 573647580 /nfs/dbraw/zinc/64/75/80/573647580.db2.gz NJBFSFPOAUJQGR-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN C[C@@H](c1cn2ncccc2n1)N(C)O 96865656 573647586 /nfs/dbraw/zinc/64/75/86/573647586.db2.gz OXFAWHBTEPWZQF-ZETCQYMHSA-N 0 0 192.222 1.111 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1ccnn1C 83807486 573647592 /nfs/dbraw/zinc/64/75/92/573647592.db2.gz CVFPEWNFSFMPIG-BHNWBGBOSA-N 0 0 166.224 1.110 10 0 ADAERN C[C@@]1(c2ccc(O)cc2)CCC(=O)N1 257840844 573647600 /nfs/dbraw/zinc/64/76/00/573647600.db2.gz MDEBPGUPRLHYMZ-NSHDSACASA-N 0 0 191.230 1.517 10 0 ADAERN CC(C)c1cnc2nc(CO)cn2c1 257840257 573647610 /nfs/dbraw/zinc/64/76/10/573647610.db2.gz LUVFWFVZHNWCJT-UHFFFAOYSA-N 0 0 191.234 1.345 10 0 ADAERN CC(C)c1nnn2cc(C=O)cnc12 257840828 573647615 /nfs/dbraw/zinc/64/76/15/573647615.db2.gz MCIHJOJHQQHXTL-UHFFFAOYSA-N 0 0 190.206 1.060 10 0 ADAERN CCn1cc([C@H](O)[C@H]2C[C@@H]2C)cn1 83807570 573647627 /nfs/dbraw/zinc/64/76/27/573647627.db2.gz RRVNPHZERXJCMV-HGNGGELXSA-N 0 0 180.251 1.592 10 0 ADAERN Nc1ccccc1[C@H]1NCCCC1=O 257839818 573647629 /nfs/dbraw/zinc/64/76/29/573647629.db2.gz LTIQHUQTILOPOI-LLVKDONJSA-N 0 0 190.246 1.262 10 0 ADAERN CC[C@H](O)C(=O)NCc1ccsc1 308410289 573647648 /nfs/dbraw/zinc/64/76/48/573647648.db2.gz LIQWICAIOYPFJW-QMMMGPOBSA-N 0 0 199.275 1.135 10 0 ADAERN CN(N)Cc1cccc(F)c1 258598161 573647662 /nfs/dbraw/zinc/64/76/62/573647662.db2.gz URXBKYUXTQVULG-UHFFFAOYSA-N 0 0 154.188 1.131 10 0 ADAERN Cc1[nH]c(NN)nc1-c1ccccc1 258829133 573647684 /nfs/dbraw/zinc/64/76/84/573647684.db2.gz ZJVWFOQBNPPYBK-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1cnccn1 83807960 573647719 /nfs/dbraw/zinc/64/77/19/573647719.db2.gz PSDFDIYVGKBNHH-FJXKBIBVSA-N 0 0 164.208 1.166 10 0 ADAERN C[C@@H](CC[NH2+]CCC1CCC1)C(=O)[O-] 258834082 573647730 /nfs/dbraw/zinc/64/77/30/573647730.db2.gz HJKBZSUDJYBNPO-VIFPVBQESA-N 0 0 199.294 1.877 10 0 ADAERN c1nocc1OC[C@@H]1CCCOC1 258833177 573647733 /nfs/dbraw/zinc/64/77/33/573647733.db2.gz ZDMMFRLBLXFCCB-MRVPVSSYSA-N 0 0 183.207 1.480 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)CC1CC1 83808035 573647752 /nfs/dbraw/zinc/64/77/52/573647752.db2.gz BHDVZDOBEBAIEB-BWVDBABLSA-N 0 0 140.226 1.803 10 0 ADAERN C[N@H+](CC(=O)[O-])[C@H]1CCCCC1(C)C 86850227 573647763 /nfs/dbraw/zinc/64/77/63/573647763.db2.gz DILQUZXDUPTOCN-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC[N@@H+]1CC[C@@H](C(F)(F)C(=O)[O-])C1 257840811 573647764 /nfs/dbraw/zinc/64/77/64/573647764.db2.gz MBTJZIBQZYLHIG-ZCFIWIBFSA-N 0 0 193.193 1.048 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2C)nc(N)c1C 83810031 573647801 /nfs/dbraw/zinc/64/78/01/573647801.db2.gz SQIDZPXKLLKYEA-SVGQVSJJSA-N 0 0 177.251 1.799 10 0 ADAERN CNc1cc(C)nc([C@H]2C[C@@H]2C)n1 83810042 573647810 /nfs/dbraw/zinc/64/78/10/573647810.db2.gz IUTOSMNOIBNKTP-XPUUQOCRSA-N 0 0 177.251 1.950 10 0 ADAERN COCCNc1ccc(O)cc1 107786968 573647822 /nfs/dbraw/zinc/64/78/22/573647822.db2.gz PARUKPROYNLTMO-UHFFFAOYSA-N 0 0 167.208 1.451 10 0 ADAERN OC[C@H]1CC[C@@](O)(C(F)(F)F)C1 107784942 573647863 /nfs/dbraw/zinc/64/78/63/573647863.db2.gz SAEKNDGRXUQCSA-WDSKDSINSA-N 0 0 184.157 1.072 10 0 ADAERN Cn1c(=O)cc(N)c2ccc(F)cc21 259541067 573647864 /nfs/dbraw/zinc/64/78/64/573647864.db2.gz BTMLQVYFTUJRRK-UHFFFAOYSA-N 0 0 192.193 1.260 10 0 ADAERN O=C1CCNc2ccoc21 82410836 573647874 /nfs/dbraw/zinc/64/78/74/573647874.db2.gz HXNSYJMUSUFLEP-UHFFFAOYSA-N 0 0 137.138 1.278 10 0 ADAERN CC[C@@H]([C@H](C(=O)[O-])C(C)C)[NH+](C)C 259539699 573647904 /nfs/dbraw/zinc/64/79/04/573647904.db2.gz NRBOZASIQASUAM-DTWKUNHWSA-N 0 0 187.283 1.683 10 0 ADAERN CCn1ccnc1[C@H](O)[C@H]1C[C@@H]1C 83807598 573647911 /nfs/dbraw/zinc/64/79/11/573647911.db2.gz NGBGIZVAMLCVSF-XHNCKOQMSA-N 0 0 180.251 1.592 10 0 ADAERN C[N@@H+]1CC[C@H](CCC(=O)[O-])[C@H](F)C1 257840825 573647923 /nfs/dbraw/zinc/64/79/23/573647923.db2.gz MCIFFHMLZKOQHQ-JGVFFNPUSA-N 0 0 189.230 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/nfs/dbraw/zinc/64/86/96/573648696.db2.gz KMXDPPNYRLUWQF-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)CC1CC1 83808037 573648701 /nfs/dbraw/zinc/64/87/01/573648701.db2.gz BHDVZDOBEBAIEB-FTLITQJKSA-N 0 0 140.226 1.803 10 0 ADAERN CC[C@H](N[C@H]1CC12CC2)C(=O)OC 715327267 573648730 /nfs/dbraw/zinc/64/87/30/573648730.db2.gz GCQDEGUKVSLWLQ-YUMQZZPRSA-N 0 0 183.251 1.080 10 0 ADAERN CCNC(=O)C1CCC(CCO)CC1 258828592 573648751 /nfs/dbraw/zinc/64/87/51/573648751.db2.gz VSHGHLWIWDFUDK-UHFFFAOYSA-N 0 0 199.294 1.311 10 0 ADAERN C[C@]1(CO)CC[C@](O)(C(F)(F)F)C1 107785073 573648752 /nfs/dbraw/zinc/64/87/52/573648752.db2.gz NYDHFLYPRVQVQE-NKWVEPMBSA-N 0 0 198.184 1.462 10 0 ADAERN Nc1ccccc1[C@@H]1NCCCC1=O 257839819 573648755 /nfs/dbraw/zinc/64/87/55/573648755.db2.gz LTIQHUQTILOPOI-NSHDSACASA-N 0 0 190.246 1.262 10 0 ADAERN ONCc1ccc(F)c(F)c1 96862210 573648758 /nfs/dbraw/zinc/64/87/58/573648758.db2.gz PRMMKSFZIDCZKD-UHFFFAOYSA-N 0 0 159.135 1.444 10 0 ADAERN COC[C@@H](C)[C@H](C)NC(=O)C=C(C)C 308656623 573648761 /nfs/dbraw/zinc/64/87/61/573648761.db2.gz NTHJBKXDYKKEOP-ZJUUUORDSA-N 0 0 199.294 1.740 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)[C@@H]1CCOC1 83807536 573648777 /nfs/dbraw/zinc/64/87/77/573648777.db2.gz VBMQYSLKYLLDPU-LURQLKTLSA-N 0 0 156.225 1.040 10 0 ADAERN C[C@H]([NH3+])[C@H](c1ccco1)N(C)C1CC1 43334706 573648787 /nfs/dbraw/zinc/64/87/87/573648787.db2.gz MWNHMANUXIPRGV-GZMMTYOYSA-N 0 0 194.278 1.762 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1cccnc1N 83807811 573648800 /nfs/dbraw/zinc/64/88/00/573648800.db2.gz OMXFVOCMZOCVSO-BWVDBABLSA-N 0 0 178.235 1.353 10 0 ADAERN CO[C@H](C)Cc1ccccc1CCO 259540740 573648823 /nfs/dbraw/zinc/64/88/23/573648823.db2.gz VDFURZOXKFYELS-SNVBAGLBSA-N 0 0 194.274 1.799 10 0 ADAERN CN[C@H](C)c1nncc(CC(C)C)n1 257840812 573648828 /nfs/dbraw/zinc/64/88/28/573648828.db2.gz MBVWHFQQQWKNKV-MRVPVSSYSA-N 0 0 194.282 1.351 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(N)c2c(n1)CCC2 83809993 573648843 /nfs/dbraw/zinc/64/88/43/573648843.db2.gz YDPWSYNQZKWBPH-SVRRBLITSA-N 0 0 189.262 1.671 10 0 ADAERN CCC[C@@H](F)[C@H](C)O 257840556 573648846 /nfs/dbraw/zinc/64/88/46/573648846.db2.gz NQNAYPUTSIFFHN-NTSWFWBYSA-N 0 0 120.167 1.505 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)C1CCOCC1 83807534 573648859 /nfs/dbraw/zinc/64/88/59/573648859.db2.gz GLCMEZVSZALTCL-SZEHBUNVSA-N 0 0 170.252 1.430 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCO2)nn1C 259150751 573648866 /nfs/dbraw/zinc/64/88/66/573648866.db2.gz HVTYFAZZUIPSEY-JTQLQIEISA-N 0 0 194.234 1.474 10 0 ADAERN CNc1ccnc([C@@H]2C[C@@H]2C)n1 83810100 573648875 /nfs/dbraw/zinc/64/88/75/573648875.db2.gz YYIZEACDKCFKAF-NKWVEPMBSA-N 0 0 163.224 1.642 10 0 ADAERN CC(C)n1c(C2CC2)cc(N)cc1=O 257840773 573648880 /nfs/dbraw/zinc/64/88/80/573648880.db2.gz LZYAHLMEPXBBTC-UHFFFAOYSA-N 0 0 192.262 1.889 10 0 ADAERN CC1(C)CCCC[C@]12COC(N)=N2 86850398 573648885 /nfs/dbraw/zinc/64/88/85/573648885.db2.gz WCJUWKWKPPCEHW-JTQLQIEISA-N 0 0 182.267 1.670 10 0 ADAERN COCc1cc(F)ccc1C1(O)CC1 258080741 573648886 /nfs/dbraw/zinc/64/88/86/573648886.db2.gz NFDWHMUCDQFGQV-UHFFFAOYSA-N 0 0 196.221 1.954 10 0 ADAERN C[C@@H]1C(=O)CCCC[C@H]1O 238466039 573648930 /nfs/dbraw/zinc/64/89/30/573648930.db2.gz CAOVBUXIWXLHEL-NKWVEPMBSA-N 0 0 142.198 1.127 10 0 ADAERN O=C1NCC[C@H](c2ccc(O)cc2)N1 257840829 573648933 /nfs/dbraw/zinc/64/89/33/573648933.db2.gz MCMZEDRRINVOAU-SECBINFHSA-N 0 0 192.218 1.136 10 0 ADAERN COC[C@@H]1CC[C@](O)(C(F)(F)F)C1 107784868 573648943 /nfs/dbraw/zinc/64/89/43/573648943.db2.gz HWXXYXMUENIJJF-RNFRBKRXSA-N 0 0 198.184 1.726 10 0 ADAERN CC(C)c1cnc2c(C=O)nnn2c1 257840762 573648944 /nfs/dbraw/zinc/64/89/44/573648944.db2.gz LZMUJVJOJFVVAT-UHFFFAOYSA-N 0 0 190.206 1.060 10 0 ADAERN Nc1c(C2CC2)nnn1C1CCCC1 257840761 573648962 /nfs/dbraw/zinc/64/89/62/573648962.db2.gz LZKCEFPKMJKUFE-UHFFFAOYSA-N 0 0 192.266 1.853 10 0 ADAERN C[C@H]1C[C@@H]2NCc3ccccc3N2C1 238465814 573648966 /nfs/dbraw/zinc/64/89/66/573648966.db2.gz GMSKESXCKBITIX-JOYOIKCWSA-N 0 0 188.274 1.962 10 0 ADAERN CC(=O)Cc1cccc2oc(=O)[nH]c12 258080721 573648970 /nfs/dbraw/zinc/64/89/70/573648970.db2.gz NEQBEOQSBOKGCM-UHFFFAOYSA-N 0 0 191.186 1.665 10 0 ADAERN C[C@H](CO)c1ccc(O)c(N)c1 259540412 573648993 /nfs/dbraw/zinc/64/89/93/573648993.db2.gz UYMPGSYVANDVPO-ZCFIWIBFSA-N 0 0 167.208 1.070 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]12OC(N)=NC2=O 235624940 573649013 /nfs/dbraw/zinc/64/90/13/573649013.db2.gz BINHWJNAEFXECD-WKEGUHRASA-N 0 0 196.250 1.053 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1cccnc1 83807558 573649024 /nfs/dbraw/zinc/64/90/24/573649024.db2.gz JHWXZBYTANPZBC-SZEHBUNVSA-N 0 0 163.220 1.771 10 0 ADAERN CC1(C)CCCc2[nH]c(CO)nc21 86847982 573649032 /nfs/dbraw/zinc/64/90/32/573649032.db2.gz GBXYFNGNCPFNLK-UHFFFAOYSA-N 0 0 180.251 1.516 10 0 ADAERN COc1ccc(C[C@@H]2CCOC2)nn1 259540610 573649043 /nfs/dbraw/zinc/64/90/43/573649043.db2.gz VBMWEXSIODVQIF-QMMMGPOBSA-N 0 0 194.234 1.064 10 0 ADAERN CSC1=NCCN1C(=O)CC1CC1 393546277 573649045 /nfs/dbraw/zinc/64/90/45/573649045.db2.gz JYBDDQMCFKIERO-UHFFFAOYSA-N 0 0 198.291 1.348 10 0 ADAERN CC(=O)Cc1coc(C)n1 82410556 573649057 /nfs/dbraw/zinc/64/90/57/573649057.db2.gz FGBQXNLXSHUTLW-UHFFFAOYSA-N 0 0 139.154 1.115 10 0 ADAERN C[C@H](C[NH+](C)C)n1cccc1C(=O)[O-] 130693934 573649062 /nfs/dbraw/zinc/64/90/62/573649062.db2.gz YSEWXNIENJNYFP-MRVPVSSYSA-N 0 0 196.250 1.309 10 0 ADAERN COCc1cc(N)nc([C@@H]2C[C@@H]2C)n1 83810128 573649072 /nfs/dbraw/zinc/64/90/72/573649072.db2.gz ARLASCVDJZLAMN-POYBYMJQSA-N 0 0 193.250 1.329 10 0 ADAERN C[C@]1(c2ccc(O)cc2)CCC(=O)N1 257840843 573649091 /nfs/dbraw/zinc/64/90/91/573649091.db2.gz MDEBPGUPRLHYMZ-LLVKDONJSA-N 0 0 191.230 1.517 10 0 ADAERN COCc1cc(F)nc([C@H]2C[C@@H]2C)n1 690049201 573649103 /nfs/dbraw/zinc/64/91/03/573649103.db2.gz RRXSKIWVABWHGB-XPUUQOCRSA-N 0 0 196.225 1.886 10 0 ADAERN ONCc1cccc(F)c1 96861930 573649107 /nfs/dbraw/zinc/64/91/07/573649107.db2.gz PEUGGLAXESHDDB-UHFFFAOYSA-N 0 0 141.145 1.305 10 0 ADAERN C[C@@H](O)[C@H]1COc2ccc(O)cc21 258075202 573649111 /nfs/dbraw/zinc/64/91/11/573649111.db2.gz MNDIPNALVHAQPR-HZGVNTEJSA-N 0 0 180.203 1.249 10 0 ADAERN CC[C@H](O)[C@H]1C[C@@H]1C 83807474 573649122 /nfs/dbraw/zinc/64/91/22/573649122.db2.gz BLNMNBHHOXRJRI-ACZMJKKPSA-N 0 0 114.188 1.413 10 0 ADAERN Cc1ccccc1[C@@H](NN)N(C)C 259151178 573649141 /nfs/dbraw/zinc/64/91/41/573649141.db2.gz KZQAROFQYBUBBZ-JTQLQIEISA-N 0 0 179.267 1.019 10 0 ADAERN Cc1ncc(C=O)c(C(F)F)c1O 238466249 573649205 /nfs/dbraw/zinc/64/92/05/573649205.db2.gz ZABXAQRDKJLIQR-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN COC(=O)[C@@]1(O)CCCCC1(C)C 86849893 573649217 /nfs/dbraw/zinc/64/92/17/573649217.db2.gz MJFGBRXIBZILSE-JTQLQIEISA-N 0 0 186.251 1.491 10 0 ADAERN Cc1cc(N)nc([C@@H]2C[C@@H]2C)n1 83809997 573649282 /nfs/dbraw/zinc/64/92/82/573649282.db2.gz MMSSHESGQCMACJ-CAHLUQPWSA-N 0 0 163.224 1.491 10 0 ADAERN COCCNc1cccc(O)c1 107764979 573649287 /nfs/dbraw/zinc/64/92/87/573649287.db2.gz GOIOOIZLSGKBBH-UHFFFAOYSA-N 0 0 167.208 1.451 10 0 ADAERN CC(C)Cn1nc(C=O)c2c1CCC2 257840303 573649296 /nfs/dbraw/zinc/64/92/96/573649296.db2.gz LWMKIOOUMCBJJR-UHFFFAOYSA-N 0 0 192.262 1.840 10 0 ADAERN C[C@@H](O)Cc1c[nH]c2ccc(O)cc12 258080621 573649313 /nfs/dbraw/zinc/64/93/13/573649313.db2.gz HLWIBYPFYUXUIV-SSDOTTSWSA-N 0 0 191.230 1.797 10 0 ADAERN OC[C@H]1CCSCC[C@H]1F 259540162 573649324 /nfs/dbraw/zinc/64/93/24/573649324.db2.gz BFWSUMBROBJOGZ-RNFRBKRXSA-N 0 0 164.245 1.460 10 0 ADAERN CC(=O)N[C@H]1C[Si](C)(C)C[C@@H]1C 238457901 573649333 /nfs/dbraw/zinc/64/93/33/573649333.db2.gz LINMUQUMCBUUFL-CBAPKCEASA-N 0 0 185.343 1.849 10 0 ADAERN Cc1nn(C)c2ccc([C@H](C)O)cc12 258080686 573649339 /nfs/dbraw/zinc/64/93/39/573649339.db2.gz NCIHSLZSLAZJHX-QMMMGPOBSA-N 0 0 190.246 1.935 10 0 ADAERN CCc1scnc1C=O 259541469 573649343 /nfs/dbraw/zinc/64/93/43/573649343.db2.gz VIFVYHHZIXHUBT-UHFFFAOYSA-N 0 0 141.195 1.518 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1ccoc1 83807998 573649345 /nfs/dbraw/zinc/64/93/45/573649345.db2.gz OYLCYFAXOUIIGJ-FTLITQJKSA-N 0 0 152.193 1.969 10 0 ADAERN O=C(COCC(F)F)C1CC1 130692288 573649348 /nfs/dbraw/zinc/64/93/48/573649348.db2.gz FUAFDJSKQKTFEO-UHFFFAOYSA-N 0 0 164.151 1.247 10 0 ADAERN C[C@@]1(CO)CC[C@@](O)(C(F)(F)F)C1 107785083 573649356 /nfs/dbraw/zinc/64/93/56/573649356.db2.gz NYDHFLYPRVQVQE-RQJHMYQMSA-N 0 0 198.184 1.462 10 0 ADAERN COC(=O)C1(c2ccccc2)COC1 258831700 573649357 /nfs/dbraw/zinc/64/93/57/573649357.db2.gz ZSZDFXUCHKPHJJ-UHFFFAOYSA-N 0 0 192.214 1.128 10 0 ADAERN CCCc1cnoc1C=O 257840641 573649358 /nfs/dbraw/zinc/64/93/58/573649358.db2.gz NVHNGYMIKKDAJW-UHFFFAOYSA-N 0 0 139.154 1.440 10 0 ADAERN CCC[C@@H](C)C[C@@H](NN)c1cn[nH]c1 308657196 573649369 /nfs/dbraw/zinc/64/93/69/573649369.db2.gz OAOXQRNFRUQPRD-PSASIEDQSA-N 0 0 196.298 1.740 10 0 ADAERN C[C@@H](C[NH3+])c1ccc(C(=O)[O-])cc1 259540193 573649375 /nfs/dbraw/zinc/64/93/75/573649375.db2.gz QXUYKBMCOJKGFT-ZETCQYMHSA-N 0 0 179.219 1.447 10 0 ADAERN C[C@@H]1[NH2+]CCc2cc(C(=O)[O-])ccc21 107805567 573651440 /nfs/dbraw/zinc/65/14/40/573651440.db2.gz MMBFGOXCLVMIMZ-ZETCQYMHSA-N 0 0 191.230 1.592 10 0 ADAERN Cc1c2c(c(O)c3c1OCC3)OCC2 259151983 573651498 /nfs/dbraw/zinc/65/14/98/573651498.db2.gz GZMSOZCVLHZOFS-UHFFFAOYSA-N 0 0 192.214 1.570 10 0 ADAERN C[C@@H](O)[C@@H]1COc2ccc(O)cc21 258075211 573651509 /nfs/dbraw/zinc/65/15/09/573651509.db2.gz MNDIPNALVHAQPR-MUWHJKNJSA-N 0 0 180.203 1.249 10 0 ADAERN OCNc1ccc2ncoc2c1 258839878 573651562 /nfs/dbraw/zinc/65/15/62/573651562.db2.gz CCCUGJYSHFHARH-UHFFFAOYSA-N 0 0 164.164 1.190 10 0 ADAERN CC[C@@H](C)CN(C)N=O 33753262 573651582 /nfs/dbraw/zinc/65/15/82/573651582.db2.gz RAPPKPUENZGVFU-ZCFIWIBFSA-N 0 0 130.191 1.646 10 0 ADAERN CCC[C@H](O)[C@H]1C[C@@H]1C 83807718 573651586 /nfs/dbraw/zinc/65/15/86/573651586.db2.gz JGMNDKZDGMNXPV-FXQIFTODSA-N 0 0 128.215 1.803 10 0 ADAERN O=Cc1cccc(C2(CO)CCC2)c1 257840795 573651607 /nfs/dbraw/zinc/65/16/07/573651607.db2.gz MBDITGMJLKKUPR-UHFFFAOYSA-N 0 0 190.242 1.913 10 0 ADAERN CNc1ccnc([C@@H]2C[C@H]2C)n1 83810099 573651651 /nfs/dbraw/zinc/65/16/51/573651651.db2.gz YYIZEACDKCFKAF-RNFRBKRXSA-N 0 0 163.224 1.642 10 0 ADAERN COc1ccc(C)cc1SNN 259152078 573651667 /nfs/dbraw/zinc/65/16/67/573651667.db2.gz FSCSTFPDEYXYDL-UHFFFAOYSA-N 0 0 184.264 1.474 10 0 ADAERN Cc1c(CO)cncc1C(F)F 238457840 573651669 /nfs/dbraw/zinc/65/16/69/573651669.db2.gz UENNHRZEHQQCAC-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN Cc1ccnc(N)c1[C@H](O)[C@H]1C[C@@H]1C 83807546 573651673 /nfs/dbraw/zinc/65/16/73/573651673.db2.gz RKBTVXVYIHRDQH-OYNCUSHFSA-N 0 0 192.262 1.662 10 0 ADAERN Cc1c(Cl)ccc2c1CNC2=O 238466047 573651677 /nfs/dbraw/zinc/65/16/77/573651677.db2.gz MSSRHSOOMHDELK-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN COc1ccc([C@@H](CCO)ON)cc1 257840766 573651678 /nfs/dbraw/zinc/65/16/78/573651678.db2.gz LZRXLALBMCERGK-SNVBAGLBSA-N 0 0 197.234 1.009 10 0 ADAERN Cc1nc(C2CCC2)oc1C(=O)CN 257840290 573651691 /nfs/dbraw/zinc/65/16/91/573651691.db2.gz LWBAENZCDSYXPD-UHFFFAOYSA-N 0 0 194.234 1.392 10 0 ADAERN CC[C@H](N[C@@H]1CC12CC2)C(=O)OC 715327256 573651693 /nfs/dbraw/zinc/65/16/93/573651693.db2.gz GCQDEGUKVSLWLQ-JGVFFNPUSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1cc(N)cn2nc(C(C)C)nc12 107813518 573651701 /nfs/dbraw/zinc/65/17/01/573651701.db2.gz AKXROAJOGPGAMS-UHFFFAOYSA-N 0 0 190.250 1.743 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1ccnc(N)c1 83807672 573651712 /nfs/dbraw/zinc/65/17/12/573651712.db2.gz YVUVUYLDJMFJLN-FKTZTGRPSA-N 0 0 192.262 1.223 10 0 ADAERN Cc1ccc(C)c(N(C)C(=O)CO)c1 258844240 573651719 /nfs/dbraw/zinc/65/17/19/573651719.db2.gz NGMDLFNAEAWSOA-UHFFFAOYSA-N 0 0 193.246 1.259 10 0 ADAERN O=C(CC1CC1)O[C@H]1CCCOC1 308410239 573651732 /nfs/dbraw/zinc/65/17/32/573651732.db2.gz NYUGBINIQNTNCR-VIFPVBQESA-N 0 0 184.235 1.509 10 0 ADAERN CN[C@@H](C)c1nncc(CC(C)C)n1 257840813 573651771 /nfs/dbraw/zinc/65/17/71/573651771.db2.gz MBVWHFQQQWKNKV-QMMMGPOBSA-N 0 0 194.282 1.351 10 0 ADAERN Cc1ccccc1[C@@H]1C[C@H](C(=O)[O-])[NH2+]1 257840833 573651790 /nfs/dbraw/zinc/65/17/90/573651790.db2.gz MCSOWMFCYBMWEQ-VHSXEESVSA-N 0 0 191.230 1.483 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1cncnc1 83807349 573651816 /nfs/dbraw/zinc/65/18/16/573651816.db2.gz CCTHTPCJQRHEKM-BWVDBABLSA-N 0 0 164.208 1.166 10 0 ADAERN CCOC(=O)c1ccn2ncccc12 259616643 573651828 /nfs/dbraw/zinc/65/18/28/573651828.db2.gz FMNWKXNCDXGYQH-UHFFFAOYSA-N 0 0 190.202 1.511 10 0 ADAERN Cc1ccc2c(c1)[C@@H](C)[C@H](O)CN2 238466616 573651838 /nfs/dbraw/zinc/65/18/38/573651838.db2.gz VDJKYSGJSKJBFE-LDYMZIIASA-N 0 0 177.247 1.885 10 0 ADAERN Cn1cc(NCO)c2ccccc21 258839939 573651844 /nfs/dbraw/zinc/65/18/44/573651844.db2.gz CFHFLTSNJJSLRR-UHFFFAOYSA-N 0 0 176.219 1.540 10 0 ADAERN COC(=N)[C@H]1C[C@H]1C 83809673 573651845 /nfs/dbraw/zinc/65/18/45/573651845.db2.gz GHCVFTQJETWFTK-UHNVWZDZSA-N 0 0 113.160 1.266 10 0 ADAERN C[NH+](C)[C@]1(C(=O)[O-])CCCCC1(C)C 86849777 573651852 /nfs/dbraw/zinc/65/18/52/573651852.db2.gz GIZNIJAWNASUIM-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CNCc1nncc(C2CCCC2)n1 257840806 573651869 /nfs/dbraw/zinc/65/18/69/573651869.db2.gz MBPWUIYMALPFBM-UHFFFAOYSA-N 0 0 192.266 1.249 10 0 ADAERN COC(=O)c1ccc2cc(N)ccn12 259543269 573651872 /nfs/dbraw/zinc/65/18/72/573651872.db2.gz BYPRNCDBXOMCIM-UHFFFAOYSA-N 0 0 190.202 1.308 10 0 ADAERN CCNc1cccc(CCO)c1 107803032 573651928 /nfs/dbraw/zinc/65/19/28/573651928.db2.gz CBDPPCBDTYKGLZ-UHFFFAOYSA-N 0 0 165.236 1.653 10 0 ADAERN COc1ccc(N)c([C@H](O)C2CC2)c1 257840808 573651929 /nfs/dbraw/zinc/65/19/29/573651929.db2.gz MBSGYOFXHXBMNW-LLVKDONJSA-N 0 0 193.246 1.721 10 0 ADAERN COC[C@H](C)[C@H](C)NC(=O)C=C(C)C 308656621 573651936 /nfs/dbraw/zinc/65/19/36/573651936.db2.gz NTHJBKXDYKKEOP-UWVGGRQHSA-N 0 0 199.294 1.740 10 0 ADAERN C[C@H]1CCc2ccc(CON)cc2O1 258080665 573651956 /nfs/dbraw/zinc/65/19/56/573651956.db2.gz NBKFYCIAKWSQNZ-QMMMGPOBSA-N 0 0 193.246 1.790 10 0 ADAERN CC(=O)[C@@]1(Br)C[C@H]1C 238466590 573651967 /nfs/dbraw/zinc/65/19/67/573651967.db2.gz PJIPBDUUBURDEO-INEUFUBQSA-N 0 0 177.041 1.749 10 0 ADAERN COc1cccc(N[C@H](C)CO)c1F 690049039 573651980 /nfs/dbraw/zinc/65/19/80/573651980.db2.gz GQIRBCBRCWGIOY-SSDOTTSWSA-N 0 0 199.225 1.627 10 0 ADAERN C[C@H]1C[Si](C)(C)C[C@@H]1O 238457921 573651981 /nfs/dbraw/zinc/65/19/81/573651981.db2.gz JSIFPNLPGQRWFW-BQBZGAKWSA-N 0 0 144.290 1.705 10 0 ADAERN O=Cc1n[nH]nc1-c1ccc(F)cc1 75617435 573652203 /nfs/dbraw/zinc/65/22/03/573652203.db2.gz APQXYGCTWLBAHS-UHFFFAOYSA-N 0 0 191.165 1.423 10 0 ADAERN C[N@@H+]1CCC[C@H](CC/C=C/C(=O)[O-])C1 259152012 573651991 /nfs/dbraw/zinc/65/19/91/573651991.db2.gz FYVGCPMPTOTBDB-HTZNOQTFSA-N 0 0 197.278 1.749 10 0 ADAERN CC1=C[C@H]2OC(=O)C[C@@H]2CC1 107805665 573652015 /nfs/dbraw/zinc/65/20/15/573652015.db2.gz ROXSEEKHVHAOCP-JGVFFNPUSA-N 0 0 152.193 1.658 10 0 ADAERN Cc1ccccc1[C@H]1C[C@H](C(=O)[O-])[NH2+]1 257840831 573652017 /nfs/dbraw/zinc/65/20/17/573652017.db2.gz MCSOWMFCYBMWEQ-NXEZZACHSA-N 0 0 191.230 1.483 10 0 ADAERN COCc1cc(N)nc([C@H]2C[C@@H]2C)n1 83810126 573652019 /nfs/dbraw/zinc/65/20/19/573652019.db2.gz ARLASCVDJZLAMN-XPUUQOCRSA-N 0 0 193.250 1.329 10 0 ADAERN CC(=O)c1oc(N)nc1CC(C)C 258844437 573652020 /nfs/dbraw/zinc/65/20/20/573652020.db2.gz QCKFITLLVWXUPQ-UHFFFAOYSA-N 0 0 182.223 1.658 10 0 ADAERN CC(=O)CNCc1ccccc1F 258839918 573652028 /nfs/dbraw/zinc/65/20/28/573652028.db2.gz CEKKPDFKOPDDLS-UHFFFAOYSA-N 0 0 181.210 1.504 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)C1CC1 83807496 573652036 /nfs/dbraw/zinc/65/20/36/573652036.db2.gz QVBQXAZLOSCTMO-MHSYXAOVSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@H](O)C(=O)N(C)c1cccc(F)c1 258843486 573652062 /nfs/dbraw/zinc/65/20/62/573652062.db2.gz PHHYGTBRQFHMJW-ZETCQYMHSA-N 0 0 197.209 1.169 10 0 ADAERN CNc1ccc([C@@H](C)O)cc1 107801943 573652066 /nfs/dbraw/zinc/65/20/66/573652066.db2.gz GCGXHXUYTMNBGJ-SSDOTTSWSA-N 0 0 151.209 1.782 10 0 ADAERN COc1ccc([C@H](CCO)ON)cc1 257840765 573652080 /nfs/dbraw/zinc/65/20/80/573652080.db2.gz LZRXLALBMCERGK-JTQLQIEISA-N 0 0 197.234 1.009 10 0 ADAERN C[C@H]1CCC(C)(C)C[C@H]1NC=O 717520171 573652088 /nfs/dbraw/zinc/65/20/88/573652088.db2.gz XQONODVSZAISEL-DTWKUNHWSA-N 0 0 169.268 1.947 10 0 ADAERN Cc1ccccc1N1CCCNC1=O 96868503 573652089 /nfs/dbraw/zinc/65/20/89/573652089.db2.gz SIJDVINYCXGTHT-UHFFFAOYSA-N 0 0 190.246 1.915 10 0 ADAERN Cc1oc(N)nc1[C@@H]1CCCO1 259543317 573652120 /nfs/dbraw/zinc/65/21/20/573652120.db2.gz BZNCKMUWHSUVHC-LURJTMIESA-N 0 0 168.196 1.417 10 0 ADAERN C[C@H]1[NH+]=C([O-])NC=C1c1ccccc1 238466368 573652125 /nfs/dbraw/zinc/65/21/25/573652125.db2.gz MSLPHQWGDRQXSY-MRVPVSSYSA-N 0 0 188.230 1.729 10 0 ADAERN OC[C@@H]1CCSCC1(F)F 259543429 573652127 /nfs/dbraw/zinc/65/21/27/573652127.db2.gz BMLBLLRVELHJPM-YFKPBYRVSA-N 0 0 168.208 1.367 10 0 ADAERN Nc1c2c(nn1C1CC1)CSCC2 257840345 573652139 /nfs/dbraw/zinc/65/21/39/573652139.db2.gz LYVYFUSUNMBNHI-UHFFFAOYSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1cc(C=O)cn2ccnc12 107816204 573652147 /nfs/dbraw/zinc/65/21/47/573652147.db2.gz AEWJROOPKIJUJA-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN COc1cc(CNO)c(OC)cc1C 258080717 573652155 /nfs/dbraw/zinc/65/21/55/573652155.db2.gz NEONFMDEHIHSQJ-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN CCCc1nc2c(N)c(C)ccn2n1 107814434 573652163 /nfs/dbraw/zinc/65/21/63/573652163.db2.gz NSGVEEQBYDVQCW-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN C[C@@]1(c2ncc(C=O)o2)CCCOC1 257840755 573652174 /nfs/dbraw/zinc/65/21/74/573652174.db2.gz BRLNQJQVCLFHDQ-SNVBAGLBSA-N 0 0 195.218 1.555 10 0 ADAERN COc1cccn2c([C@H](C)O)ncc12 257839812 573652181 /nfs/dbraw/zinc/65/21/81/573652181.db2.gz LTGPBVXWEUDROQ-ZETCQYMHSA-N 0 0 192.218 1.396 10 0 ADAERN CC(C)c1nc2c(N)cc(F)cn2n1 107814180 573652884 /nfs/dbraw/zinc/65/28/84/573652884.db2.gz QBWOCCMMJMKLQL-UHFFFAOYSA-N 0 0 194.213 1.574 10 0 ADAERN CNc1cccc([C@H](C)O)c1 107802470 573652897 /nfs/dbraw/zinc/65/28/97/573652897.db2.gz RLIRRKOYNCOLRV-ZETCQYMHSA-N 0 0 151.209 1.782 10 0 ADAERN CNc1nc([C@@H]2C[C@H]2C)no1 83810374 573653537 /nfs/dbraw/zinc/65/35/37/573653537.db2.gz APCLGWYICAPIRT-RFZPGFLSSA-N 0 0 153.185 1.235 10 0 ADAERN C[C@@H]1CN(c2cccc(O)c2)C(=O)O1 257842140 573653545 /nfs/dbraw/zinc/65/35/45/573653545.db2.gz MNISRCZHMLIMCL-SSDOTTSWSA-N 0 0 193.202 1.737 10 0 ADAERN C[C@@H](CO)c1cccc2c1N(C)CC2 257841790 573653559 /nfs/dbraw/zinc/65/35/59/573653559.db2.gz BYVGIUQFZNRXBU-VIFPVBQESA-N 0 0 191.274 1.775 10 0 ADAERN Cc1nc([C@H]2C[C@H]2C)ncc1[C@@H](C)O 83810563 573653579 /nfs/dbraw/zinc/65/35/79/573653579.db2.gz ZDYYVNMTCMVGTB-VDAHYXPESA-N 0 0 192.262 1.962 10 0 ADAERN Cc1cccc(C)c1[C@H]1CNC(=O)C1 96868489 573653585 /nfs/dbraw/zinc/65/35/85/573653585.db2.gz YUHKJWNWIQVVBB-SNVBAGLBSA-N 0 0 189.258 1.907 10 0 ADAERN COC(=O)c1noc2ccc(C)nc12 259542949 573653595 /nfs/dbraw/zinc/65/35/95/573653595.db2.gz ZUBAFSQWHMAHHG-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(C=O)c[nH]1 83811081 573653604 /nfs/dbraw/zinc/65/36/04/573653604.db2.gz CITGSESYWWFQTQ-FSPLSTOPSA-N 0 0 150.181 1.346 10 0 ADAERN CC(=O)[C@@H]1CCC(=O)[C@@H](C)[C@@H]1C 238458279 573653613 /nfs/dbraw/zinc/65/36/13/573653613.db2.gz XQCYWCQGAXLALM-ACLDMZEESA-N 0 0 168.236 1.827 10 0 ADAERN CC(C)c1nc2c(s1)[C@H](O)CNC2 75622840 573653615 /nfs/dbraw/zinc/65/36/15/573653615.db2.gz NTKFMUAFCIIZDL-SSDOTTSWSA-N 0 0 198.291 1.403 10 0 ADAERN COC[C@H](C)[C@@H](C)NC(=O)C=C(C)C 308656622 573652906 /nfs/dbraw/zinc/65/29/06/573652906.db2.gz NTHJBKXDYKKEOP-VHSXEESVSA-N 0 0 199.294 1.740 10 0 ADAERN Nc1sc(N)c2ncccc12 307112720 573652915 /nfs/dbraw/zinc/65/29/15/573652915.db2.gz QLNWARJMVQCKJK-UHFFFAOYSA-N 0 0 165.221 1.461 10 0 ADAERN CCNC(=S)O[C@H](C)CC 33754026 573653621 /nfs/dbraw/zinc/65/36/21/573653621.db2.gz ATOJBHJWQMBYMX-ZCFIWIBFSA-N 0 0 161.270 1.696 10 0 ADAERN C[C@H](O)c1cccc2c1COCO2 258080553 573652941 /nfs/dbraw/zinc/65/29/41/573652941.db2.gz VRKIKVWDXGYIGF-ZETCQYMHSA-N 0 0 180.203 1.606 10 0 ADAERN CC(=O)[C@@H]1Cc2c(F)cccc2N1C 258075159 573652948 /nfs/dbraw/zinc/65/29/48/573652948.db2.gz HDDFYVOMEPQTIK-NSHDSACASA-N 0 0 193.221 1.776 10 0 ADAERN Nc1nocc1-c1cccc(O)c1 257841082 573652956 /nfs/dbraw/zinc/65/29/56/573652956.db2.gz NYFLVPWKMCDMKF-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN C[C@@H](c1cc(C=O)ccc1[O-])[NH+](C)C 257841751 573652966 /nfs/dbraw/zinc/65/29/66/573652966.db2.gz MKWQWSFCPJUQSX-QMMMGPOBSA-N 0 0 193.246 1.827 10 0 ADAERN Cn1nnc(C2CCCCC2)c1C=O 257841747 573652980 /nfs/dbraw/zinc/65/29/80/573652980.db2.gz MKWKWEDMEWLFBT-UHFFFAOYSA-N 0 0 193.250 1.675 10 0 ADAERN Cn1cc(C2CCCC2)c(CO)n1 257841601 573653000 /nfs/dbraw/zinc/65/30/00/573653000.db2.gz OGBGRXYAQCHXRZ-UHFFFAOYSA-N 0 0 180.251 1.570 10 0 ADAERN CCc1nc(N)nc([C@H]2C[C@H]2C)n1 83811059 573653003 /nfs/dbraw/zinc/65/30/03/573653003.db2.gz AIHZMSBEKLJOON-RITPCOANSA-N 0 0 178.239 1.140 10 0 ADAERN C/C=C/C[S@@](=O)CC 78847202 573653012 /nfs/dbraw/zinc/65/30/12/573653012.db2.gz BTUFWWJPKKKZTK-RYEJSQLPSA-N 0 0 132.228 1.331 10 0 ADAERN CC(=O)c1nocc1C1CC1 257841645 573653020 /nfs/dbraw/zinc/65/30/20/573653020.db2.gz OHADFWJHUCGXIU-UHFFFAOYSA-N 0 0 151.165 1.755 10 0 ADAERN CC(=O)[C@H](C)c1nc([C@@H]2C[C@H]2C)no1 83810778 573653027 /nfs/dbraw/zinc/65/30/27/573653027.db2.gz MKLQVCVLUHRPTF-GKROBHDKSA-N 0 0 194.234 1.886 10 0 ADAERN Cc1cc(C(=O)CN)cc(O)c1C 258080567 573653028 /nfs/dbraw/zinc/65/30/28/573653028.db2.gz VRQJGWZKIXNXQD-UHFFFAOYSA-N 0 0 179.219 1.150 10 0 ADAERN C[C@H](c1cc(C=O)ccc1[O-])[NH+](C)C 257841749 573653043 /nfs/dbraw/zinc/65/30/43/573653043.db2.gz MKWQWSFCPJUQSX-MRVPVSSYSA-N 0 0 193.246 1.827 10 0 ADAERN OCCCc1cc(O)ccc1Cl 258080731 573653058 /nfs/dbraw/zinc/65/30/58/573653058.db2.gz NEUWCNLTBCVDSM-UHFFFAOYSA-N 0 0 186.638 1.971 10 0 ADAERN NOCc1cc(O)c(F)cc1F 258080559 573653071 /nfs/dbraw/zinc/65/30/71/573653071.db2.gz VRLKIPBXTAGFOF-UHFFFAOYSA-N 0 0 175.134 1.061 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2C)ncc1[C@@H](C)O 83810562 573653074 /nfs/dbraw/zinc/65/30/74/573653074.db2.gz ZDYYVNMTCMVGTB-FTLITQJKSA-N 0 0 192.262 1.962 10 0 ADAERN CN[C@H](c1ccccc1F)N(C)C 259543437 573653102 /nfs/dbraw/zinc/65/31/02/573653102.db2.gz NWZCTWOMDMVDNB-JTQLQIEISA-N 0 0 182.242 1.605 10 0 ADAERN C[C@H]1CC[C@H](c2ccoc2)NC1=O 238458377 573653103 /nfs/dbraw/zinc/65/31/03/573653103.db2.gz LZGYPVLUPSWHKX-IONNQARKSA-N 0 0 179.219 1.867 10 0 ADAERN Nc1c(F)cccc1C(=O)CCCO 257842168 573653104 /nfs/dbraw/zinc/65/31/04/573653104.db2.gz MOUBGWZGFZOUHE-UHFFFAOYSA-N 0 0 197.209 1.363 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc(C=O)n1 83810744 573653118 /nfs/dbraw/zinc/65/31/18/573653118.db2.gz XFZURWYHRWTBPV-UHNVWZDZSA-N 0 0 152.153 1.006 10 0 ADAERN CN1CCCC[C@H]1Oc1cn[nH]c1 258837432 573653130 /nfs/dbraw/zinc/65/31/30/573653130.db2.gz ZHXGSTVMJZUFOM-SECBINFHSA-N 0 0 181.239 1.230 10 0 ADAERN C[C@@H]1C[C@H]1c1nccc(CO)n1 83810550 573653132 /nfs/dbraw/zinc/65/31/32/573653132.db2.gz MNODZCUMCYTNLO-HTRCEHHLSA-N 0 0 164.208 1.092 10 0 ADAERN CC(=O)c1nc([C@@H]2C[C@H]2C)no1 83810750 573653142 /nfs/dbraw/zinc/65/31/42/573653142.db2.gz TWOKCUFANNDFKQ-INEUFUBQSA-N 0 0 166.180 1.396 10 0 ADAERN CC(C)c1nc2c(s1)[C@@H](O)CNC2 75622844 573653147 /nfs/dbraw/zinc/65/31/47/573653147.db2.gz NTKFMUAFCIIZDL-ZETCQYMHSA-N 0 0 198.291 1.403 10 0 ADAERN COC(=O)c1c[nH]c([C@H]2C[C@H]2C)n1 83810308 573653155 /nfs/dbraw/zinc/65/31/55/573653155.db2.gz VYBHBKGUKCJARO-RITPCOANSA-N 0 0 180.207 1.320 10 0 ADAERN Cn1c(Cl)cnc1C1CC1 258506792 573653200 /nfs/dbraw/zinc/65/32/00/573653200.db2.gz KMYOIVSIQZQVOZ-UHFFFAOYSA-N 0 0 156.616 1.951 10 0 ADAERN C[C@@H]1C[C@H]1c1ncc(CO)cn1 83810554 573653202 /nfs/dbraw/zinc/65/32/02/573653202.db2.gz GEPZVCPCAZVYIM-HTRCEHHLSA-N 0 0 164.208 1.092 10 0 ADAERN O=C1NC/C=C\COc2ccccc21 198422271 573653206 /nfs/dbraw/zinc/65/32/06/573653206.db2.gz UZNLVESLRMYMBP-ARJAWSKDSA-N 0 0 189.214 1.365 10 0 ADAERN C[C@H]1C[C@H]1c1nccc(CO)n1 83810551 573653211 /nfs/dbraw/zinc/65/32/11/573653211.db2.gz MNODZCUMCYTNLO-POYBYMJQSA-N 0 0 164.208 1.092 10 0 ADAERN CCCCOC(=O)C1(NC)CCCC1 308655738 573653213 /nfs/dbraw/zinc/65/32/13/573653213.db2.gz NLNIJOAEJMZHAQ-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN Cc1nc2c(N)cc(Cl)cn2n1 107813861 573653216 /nfs/dbraw/zinc/65/32/16/573653216.db2.gz BXBJPYXBZRTCTO-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN CC(=O)c1ccnn1-c1ccccn1 75619339 573653219 /nfs/dbraw/zinc/65/32/19/573653219.db2.gz BNEBDYXORMXTIA-UHFFFAOYSA-N 0 0 187.202 1.470 10 0 ADAERN C[C@@H](O)c1cccc2c1COCO2 258080551 573653223 /nfs/dbraw/zinc/65/32/23/573653223.db2.gz VRKIKVWDXGYIGF-SSDOTTSWSA-N 0 0 180.203 1.606 10 0 ADAERN Cc1cccc(-c2nncn2C)c1 96867670 573653236 /nfs/dbraw/zinc/65/32/36/573653236.db2.gz BBMROHRWFPSTMC-UHFFFAOYSA-N 0 0 173.219 1.791 10 0 ADAERN CC(=O)CN(C)c1ccc[nH]1 258844558 573653244 /nfs/dbraw/zinc/65/32/44/573653244.db2.gz CSJWBFBSLBEIPQ-UHFFFAOYSA-N 0 0 152.197 1.040 10 0 ADAERN OC[C@@H]1CCc2c(F)cccc21 96867656 573653253 /nfs/dbraw/zinc/65/32/53/573653253.db2.gz GAJKTDTWQSKFKX-ZETCQYMHSA-N 0 0 166.195 1.848 10 0 ADAERN Cc1c(N)ccc2nc(C(C)C)nn12 107815387 573653256 /nfs/dbraw/zinc/65/32/56/573653256.db2.gz BGAWZBCXXZQWEY-UHFFFAOYSA-N 0 0 190.250 1.743 10 0 ADAERN Cn1cc(N)nc1-c1ccco1 75620552 573653263 /nfs/dbraw/zinc/65/32/63/573653263.db2.gz NGVSFUZHYBZOIJ-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CCCN1C(=O)CC2(CCC2)NC1=O 86852743 573653267 /nfs/dbraw/zinc/65/32/67/573653267.db2.gz VPBYEDJRNNPWID-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN CCCCN(C)C(=O)C1(CO)CC1 258843771 573653289 /nfs/dbraw/zinc/65/32/89/573653289.db2.gz WZIMXFPXENXVEW-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN COc1ccc(C(C)(C)ON)cc1 259543830 573653319 /nfs/dbraw/zinc/65/33/19/573653319.db2.gz VNNMAMHFDPUMBM-UHFFFAOYSA-N 0 0 181.235 1.821 10 0 ADAERN Nc1ccccc1[C@@H]1CCOC(=O)N1 257841685 573653322 /nfs/dbraw/zinc/65/33/22/573653322.db2.gz MJSPFBDKMGQJOF-VIFPVBQESA-N 0 0 192.218 1.440 10 0 ADAERN CCC[C@H](C)C[C@H](NN)c1cn[nH]c1 308657199 573653344 /nfs/dbraw/zinc/65/33/44/573653344.db2.gz OAOXQRNFRUQPRD-WPRPVWTQSA-N 0 0 196.298 1.740 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](c2ccc(F)cc2)[NH2+]1 257841225 573653345 /nfs/dbraw/zinc/65/33/45/573653345.db2.gz MERRGZPMUWKTQV-IUCAKERBSA-N 0 0 195.193 1.313 10 0 ADAERN Cc1cccc2c1CCC[C@@]2(O)CO 257841221 573653365 /nfs/dbraw/zinc/65/33/65/573653365.db2.gz MERPGWKBLMWNDG-GFCCVEGCSA-N 0 0 192.258 1.511 10 0 ADAERN CC(=O)[C@H](C)c1nc([C@H]2C[C@@H]2C)no1 83810777 573653369 /nfs/dbraw/zinc/65/33/69/573653369.db2.gz MKLQVCVLUHRPTF-HAFWLYHUSA-N 0 0 194.234 1.886 10 0 ADAERN CC(C)(C[C@H]1CCCOC1)ON 259543870 573653384 /nfs/dbraw/zinc/65/33/84/573653384.db2.gz VPDIXULKOMUXSP-MRVPVSSYSA-N 0 0 173.256 1.472 10 0 ADAERN C[C@H]1Cc2c(cccc2C(=O)[O-])C[NH2+]1 238458567 573653387 /nfs/dbraw/zinc/65/33/87/573653387.db2.gz BLZSXDIRPBUEFM-ZETCQYMHSA-N 0 0 191.230 1.419 10 0 ADAERN Cc1c(C(F)F)cc(=O)[nH]c1CO 238458247 573653391 /nfs/dbraw/zinc/65/33/91/573653391.db2.gz NHZRDPRAWYJEIB-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN Cc1ccc(N)c2nc(C3CC3)nn12 107815113 573653408 /nfs/dbraw/zinc/65/34/08/573653408.db2.gz VBSFYNOTHQLSIY-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN Cc1ccc(O)c2c1C(=O)OC2 238458747 573653412 /nfs/dbraw/zinc/65/34/12/573653412.db2.gz BOPPXKUTDNZNFE-UHFFFAOYSA-N 0 0 164.160 1.371 10 0 ADAERN Cc1ccc2c(c1)C(=O)NCCN2 96868494 573653415 /nfs/dbraw/zinc/65/34/15/573653415.db2.gz KUKWJLIDLOMGQK-UHFFFAOYSA-N 0 0 176.219 1.150 10 0 ADAERN CCCc1nc2c(N)cc(F)cn2n1 107814156 573653417 /nfs/dbraw/zinc/65/34/17/573653417.db2.gz BEPNZXURMWGNLU-UHFFFAOYSA-N 0 0 194.213 1.403 10 0 ADAERN Cc1cc2c(c(C=O)c1O)CCO2 258080556 573653420 /nfs/dbraw/zinc/65/34/20/573653420.db2.gz VRKJLJDFQDKDJG-UHFFFAOYSA-N 0 0 178.187 1.448 10 0 ADAERN CNc1nc([C@H]2C[C@@H]2C)no1 83810373 573653446 /nfs/dbraw/zinc/65/34/46/573653446.db2.gz APCLGWYICAPIRT-WHFBIAKZSA-N 0 0 153.185 1.235 10 0 ADAERN C[C@H]1C[C@@H](O)CC2(CCCC2)O1 238458561 573653451 /nfs/dbraw/zinc/65/34/51/573653451.db2.gz MJRCFKJBDJSTQB-DTWKUNHWSA-N 0 0 170.252 1.859 10 0 ADAERN CC(C)[C@H](C)[C@H]1COC[C@H]1O 687981187 573653453 /nfs/dbraw/zinc/65/34/53/573653453.db2.gz GGRVHNHTWUYYSU-DJLDLDEBSA-N 0 0 158.241 1.286 10 0 ADAERN C[C@H](O)[C@H]1COc2ccc(O)cc21 258075208 573653454 /nfs/dbraw/zinc/65/34/54/573653454.db2.gz MNDIPNALVHAQPR-IMTBSYHQSA-N 0 0 180.203 1.249 10 0 ADAERN C[C@H]1Cc2c(cccc2C(N)=O)N1 238458823 573653459 /nfs/dbraw/zinc/65/34/59/573653459.db2.gz KGEYAVIJNGTPFH-LURJTMIESA-N 0 0 176.219 1.142 10 0 ADAERN CCC[C@H](C)C[C@@H](NN)c1cn[nH]c1 308657198 573653461 /nfs/dbraw/zinc/65/34/61/573653461.db2.gz OAOXQRNFRUQPRD-WCBMZHEXSA-N 0 0 196.298 1.740 10 0 ADAERN CC1=CC(=O)N2CCCC[C@H]2C1 198425177 573653481 /nfs/dbraw/zinc/65/34/81/573653481.db2.gz SKKXSIVKMBDJNV-VIFPVBQESA-N 0 0 165.236 1.718 10 0 ADAERN CC(=O)[C@H]1Cc2c(F)cccc2N1C 258075152 573653511 /nfs/dbraw/zinc/65/35/11/573653511.db2.gz HDDFYVOMEPQTIK-LLVKDONJSA-N 0 0 193.221 1.776 10 0 ADAERN CO[C@](C)(CO)Cc1ccc(O)cc1 257841301 573653525 /nfs/dbraw/zinc/65/35/25/573653525.db2.gz MGVHPMSDOKVKOK-NSHDSACASA-N 0 0 196.246 1.332 10 0 ADAERN C[C@]1(N)CSc2ccccc2C1=O 238458593 573654743 /nfs/dbraw/zinc/65/47/43/573654743.db2.gz LVUDYPXYNIBBCI-JTQLQIEISA-N 0 0 193.271 1.692 10 0 ADAERN O=N[C@@H]1NC(=O)c2ccccc21 107802487 573654750 /nfs/dbraw/zinc/65/47/50/573654750.db2.gz LNPUNBOJDYLDJB-ZETCQYMHSA-N 0 0 162.148 1.195 10 0 ADAERN C[C@H]1CC[N@@H+]1C1(CC(=O)[O-])CCC1 86852798 573654753 /nfs/dbraw/zinc/65/47/53/573654753.db2.gz XJZVTRVZFHHDIB-QMMMGPOBSA-N 0 0 183.251 1.478 10 0 ADAERN CC(C)[C@@H](O)COc1ccc(O)cc1 258083161 573654789 /nfs/dbraw/zinc/65/47/89/573654789.db2.gz JJTIOLBCWHDYSC-NSHDSACASA-N 0 0 196.246 1.788 10 0 ADAERN Cc1cc(=O)c(O)c(C(F)F)[nH]1 238471182 573654808 /nfs/dbraw/zinc/65/48/08/573654808.db2.gz XMJBMTXJHUOLSL-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN C[C@@H]1C[C@H]1c1noc(C=O)n1 83810746 573654815 /nfs/dbraw/zinc/65/48/15/573654815.db2.gz XFZURWYHRWTBPV-RFZPGFLSSA-N 0 0 152.153 1.006 10 0 ADAERN C#[N+]c1nc(C(=O)OC)c(C)[n-]1 259542612 573654819 /nfs/dbraw/zinc/65/48/19/573654819.db2.gz GKYORXITEHMXNZ-UHFFFAOYSA-N 0 0 165.152 1.056 10 0 ADAERN Cc1cccc(C[C@H]2COC(=O)N2)c1 258082770 573654841 /nfs/dbraw/zinc/65/48/41/573654841.db2.gz BGYOQDDQXBITRC-JTQLQIEISA-N 0 0 191.230 1.646 10 0 ADAERN Cc1c(CO)ncc(O)c1C(F)F 238458668 573654849 /nfs/dbraw/zinc/65/48/49/573654849.db2.gz DTBYVCDKSHQWOW-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN C/C=C(/CC)C(=O)N[C@H](C)[C@@H](C)O 393567087 573654853 /nfs/dbraw/zinc/65/48/53/573654853.db2.gz VGLXNSGHXBSQRK-HJWAFEIUSA-N 0 0 185.267 1.228 10 0 ADAERN CC(C)C(=O)N1CCCC(=O)C1(C)C 259151544 573654870 /nfs/dbraw/zinc/65/48/70/573654870.db2.gz MYKBPJHFDCAJEW-UHFFFAOYSA-N 0 0 197.278 1.613 10 0 ADAERN CC(C)Cn1nc2c(c1N)COCC2 257842128 573654881 /nfs/dbraw/zinc/65/48/81/573654881.db2.gz MNDVCZICKLBIKC-UHFFFAOYSA-N 0 0 195.266 1.194 10 0 ADAERN C[C@H]1C(=O)C(C)(C)C[C@H]1CO 238458243 573654882 /nfs/dbraw/zinc/65/48/82/573654882.db2.gz FXYNYSYIOBEJGH-RQJHMYQMSA-N 0 0 156.225 1.230 10 0 ADAERN CCC[C@@H]1OC[C@@H](CC(=O)OC)O1 258840219 573654888 /nfs/dbraw/zinc/65/48/88/573654888.db2.gz SBQDKTWMEZLIDL-VXNVDRBHSA-N 0 0 188.223 1.091 10 0 ADAERN CCCc1nc(N)nc([C@@H]2C[C@H]2C)n1 83811062 573654891 /nfs/dbraw/zinc/65/48/91/573654891.db2.gz DGAJMEMTLMUQCD-RNFRBKRXSA-N 0 0 192.266 1.530 10 0 ADAERN Cn1cc(Oc2ccco2)cn1 258841901 573654909 /nfs/dbraw/zinc/65/49/09/573654909.db2.gz ZPVRNKXMOOLFBB-UHFFFAOYSA-N 0 0 164.164 1.805 10 0 ADAERN CCc1nc(N)nc([C@@H]2C[C@@H]2C)n1 83811056 573654913 /nfs/dbraw/zinc/65/49/13/573654913.db2.gz AIHZMSBEKLJOON-NTSWFWBYSA-N 0 0 178.239 1.140 10 0 ADAERN CC(C)(C)[C@H](F)CCO 257841152 573654916 /nfs/dbraw/zinc/65/49/16/573654916.db2.gz OBVGACSBYLAQLB-ZCFIWIBFSA-N 0 0 134.194 1.753 10 0 ADAERN Cc1cc(O)cc([C@@H](C)O)c1F 258082406 573654932 /nfs/dbraw/zinc/65/49/32/573654932.db2.gz VVTKQEXJXQKQDN-ZCFIWIBFSA-N 0 0 170.183 1.893 10 0 ADAERN C[C@H]1C(=O)CCCCN1C 238471073 573654939 /nfs/dbraw/zinc/65/49/39/573654939.db2.gz RTKNVUUNKKOZOB-ZETCQYMHSA-N 0 0 141.214 1.060 10 0 ADAERN Nc1noc(-c2cc(F)ccc2N)n1 83811868 573654947 /nfs/dbraw/zinc/65/49/47/573654947.db2.gz KJBUEMZNTCNBIX-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN CCN1c2ccccc2C[C@@H]1[C@H](C)O 257841782 573654968 /nfs/dbraw/zinc/65/49/68/573654968.db2.gz BYOFAGBKQBZLLW-JOYOIKCWSA-N 0 0 191.274 1.818 10 0 ADAERN CN(C(=O)CCO)c1cccs1 258841044 573655016 /nfs/dbraw/zinc/65/50/16/573655016.db2.gz MZLPVVWBRJLLQP-UHFFFAOYSA-N 0 0 185.248 1.093 10 0 ADAERN Cc1ccc(N[C@@H](CO)CCO)cc1 258838265 573655022 /nfs/dbraw/zinc/65/50/22/573655022.db2.gz AGHJGGAAJHULKT-LLVKDONJSA-N 0 0 195.262 1.150 10 0 ADAERN OC[C@H]1CCc2c(F)cccc21 96867655 573655030 /nfs/dbraw/zinc/65/50/30/573655030.db2.gz GAJKTDTWQSKFKX-SSDOTTSWSA-N 0 0 166.195 1.848 10 0 ADAERN C/C(=C\c1ccccc1)[C@H](O)[C@H](C)O 238471046 573655033 /nfs/dbraw/zinc/65/50/33/573655033.db2.gz UONPFMPAOYHEPH-BNWGVOOPSA-N 0 0 192.258 1.832 10 0 ADAERN CCCOCC1N=NC(=S)N1C 233233731 573655041 /nfs/dbraw/zinc/65/50/41/573655041.db2.gz SOKLJISZTDNIRF-UHFFFAOYSA-N 0 0 187.268 1.030 10 0 ADAERN Cc1ccccc1[C@@]1(C)NCCC1=O 258843449 573655048 /nfs/dbraw/zinc/65/50/48/573655048.db2.gz KCELMSSTPNPVBP-GFCCVEGCSA-N 0 0 189.258 1.773 10 0 ADAERN Cc1ccc(CON)c(O)c1F 258082358 573655058 /nfs/dbraw/zinc/65/50/58/573655058.db2.gz VTONCVRMMXKFJO-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN Cc1ccc2c(c1)[C@H](C)[C@H](CO)C2=O 238458219 573655065 /nfs/dbraw/zinc/65/50/65/573655065.db2.gz SCVCHBLSRBHOAJ-KWQFWETISA-N 0 0 190.242 1.903 10 0 ADAERN C[NH2+]Cc1ccnc([C@@H]2C[C@@H]2C)n1 83810435 573655086 /nfs/dbraw/zinc/65/50/86/573655086.db2.gz IUQMWOPWWQGDJJ-IONNQARKSA-N 0 0 177.251 1.319 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@H]1c1cncs1 259542894 573655088 /nfs/dbraw/zinc/65/50/88/573655088.db2.gz GNPXILNZDDWZKU-APQOSEDMSA-N 0 0 197.259 1.666 10 0 ADAERN CC(C)C(=O)C1=NCCC1 107805316 573655094 /nfs/dbraw/zinc/65/50/94/573655094.db2.gz LEOIFUAVVADIOL-UHFFFAOYSA-N 0 0 139.198 1.446 10 0 ADAERN CCC[C@@](C)(CO)CC1COC1 258508010 573655097 /nfs/dbraw/zinc/65/50/97/573655097.db2.gz FAGULDVFUQOEKR-SNVBAGLBSA-N 0 0 172.268 1.822 10 0 ADAERN CCN1c2ccccc2C[C@H]1[C@@H](C)O 257841783 573655113 /nfs/dbraw/zinc/65/51/13/573655113.db2.gz BYOFAGBKQBZLLW-SKDRFNHKSA-N 0 0 191.274 1.818 10 0 ADAERN COCCNc1ccc2cn[nH]c2c1 107807227 573655117 /nfs/dbraw/zinc/65/51/17/573655117.db2.gz JPVSJGPPVKUYKH-UHFFFAOYSA-N 0 0 191.234 1.621 10 0 ADAERN Cc1cc(O)c(N)c2cccnc12 238470926 573655120 /nfs/dbraw/zinc/65/51/20/573655120.db2.gz VCQLKCDHGOSFIM-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN C[C@@H]1C[C@H]1c1nc2c(s1)C[NH2+]CC2 83810370 573655124 /nfs/dbraw/zinc/65/51/24/573655124.db2.gz GCLKAWQYHVENIB-RNFRBKRXSA-N 0 0 194.303 1.912 10 0 ADAERN C[C@@H]1C[C@@H]1c1nccc(CO)n1 83810548 573655148 /nfs/dbraw/zinc/65/51/48/573655148.db2.gz MNODZCUMCYTNLO-SVRRBLITSA-N 0 0 164.208 1.092 10 0 ADAERN Nc1ccccc1[C@H]1CCOC(=O)N1 257841683 573655151 /nfs/dbraw/zinc/65/51/51/573655151.db2.gz MJSPFBDKMGQJOF-SECBINFHSA-N 0 0 192.218 1.440 10 0 ADAERN Cc1ccn2nc(C3CC3)nc2c1N 107814459 573655165 /nfs/dbraw/zinc/65/51/65/573655165.db2.gz UIBZJAOBPMBQIU-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN CN1c2ccc(O)cc2C[C@@H]1CCO 258081921 573655171 /nfs/dbraw/zinc/65/51/71/573655171.db2.gz MXHYMSBQBLGOIY-VIFPVBQESA-N 0 0 193.246 1.136 10 0 ADAERN Cc1cc(CO)nc([C@@H]2C[C@H]2C)n1 83810558 573655172 /nfs/dbraw/zinc/65/51/72/573655172.db2.gz HWWXWPGHPXPXSW-HZGVNTEJSA-N 0 0 178.235 1.401 10 0 ADAERN Cc1c(CO)ncc(F)c1C(F)F 238458564 573655177 /nfs/dbraw/zinc/65/51/77/573655177.db2.gz YAGPFGDUNQVWRZ-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C[C@]1(CO)CCC[C@H]1F 257841626 573655181 /nfs/dbraw/zinc/65/51/81/573655181.db2.gz OGLMMRMSLMIBAL-RNFRBKRXSA-N 0 0 132.178 1.507 10 0 ADAERN COc1ccc2c(c1CON)CCC2 258083301 573655188 /nfs/dbraw/zinc/65/51/88/573655188.db2.gz NHRIHAJKWJVBFJ-UHFFFAOYSA-N 0 0 193.246 1.574 10 0 ADAERN CC[C@H](C)NC(=O)C1(CO)CCC1 258843745 573655189 /nfs/dbraw/zinc/65/51/89/573655189.db2.gz WYJIKNIXEXZASA-QMMMGPOBSA-N 0 0 185.267 1.064 10 0 ADAERN COC(=O)c1ccc(C(C)C)n1C 259542891 573655191 /nfs/dbraw/zinc/65/51/91/573655191.db2.gz GNPBFFRNCZIZFM-UHFFFAOYSA-N 0 0 181.235 1.935 10 0 ADAERN NOCCc1ccc2nnsc2c1 258083297 573655198 /nfs/dbraw/zinc/65/51/98/573655198.db2.gz NHPRIEDKQGPWGQ-UHFFFAOYSA-N 0 0 195.247 1.124 10 0 ADAERN Cc1ccc(CNC(N)=S)cc1C 238471114 573655212 /nfs/dbraw/zinc/65/52/12/573655212.db2.gz XPTNYUNZTPJHHG-UHFFFAOYSA-N 0 0 194.303 1.637 10 0 ADAERN C[C@H]1C[C@@H]1c1ncc(CO)cn1 83810553 573655228 /nfs/dbraw/zinc/65/52/28/573655228.db2.gz GEPZVCPCAZVYIM-XPUUQOCRSA-N 0 0 164.208 1.092 10 0 ADAERN Cc1cc(CO)nc([C@@H]2C[C@@H]2C)n1 83810556 573655240 /nfs/dbraw/zinc/65/52/40/573655240.db2.gz HWWXWPGHPXPXSW-IMTBSYHQSA-N 0 0 178.235 1.401 10 0 ADAERN Cn1cc(Oc2ccccn2)cn1 258837449 573655243 /nfs/dbraw/zinc/65/52/43/573655243.db2.gz ZHYPKYMPXRIROE-UHFFFAOYSA-N 0 0 175.191 1.607 10 0 ADAERN CC(=O)[C@@]1(C)C(=O)C[C@@H]1C 238458739 573655248 /nfs/dbraw/zinc/65/52/48/573655248.db2.gz NHHUOZOODKIOBE-XNCJUZBTSA-N 0 0 140.182 1.191 10 0 ADAERN Cc1c(CO)n(C)c2ncccc12 238457945 573655257 /nfs/dbraw/zinc/65/52/57/573655257.db2.gz SICFFHWRCMPSOV-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN CN[C@@H](c1ccccc1F)N(C)C 259543440 573655259 /nfs/dbraw/zinc/65/52/59/573655259.db2.gz NWZCTWOMDMVDNB-SNVBAGLBSA-N 0 0 182.242 1.605 10 0 ADAERN C[C@H]1C[C@H]1c1nc2c(s1)C[NH2+]CC2 83810371 573655266 /nfs/dbraw/zinc/65/52/66/573655266.db2.gz GCLKAWQYHVENIB-NKWVEPMBSA-N 0 0 194.303 1.912 10 0 ADAERN CCC[C@H]1OC[C@@H](CC(=O)OC)O1 258840214 573655281 /nfs/dbraw/zinc/65/52/81/573655281.db2.gz SBQDKTWMEZLIDL-APPZFPTMSA-N 0 0 188.223 1.091 10 0 ADAERN CC1=CC(=O)N2CCCC[C@@H]2C1 198425161 573655283 /nfs/dbraw/zinc/65/52/83/573655283.db2.gz SKKXSIVKMBDJNV-SECBINFHSA-N 0 0 165.236 1.718 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(Cl)n[nH]1 83811093 573655287 /nfs/dbraw/zinc/65/52/87/573655287.db2.gz FJWSLKFCJRPVJT-IMJSIDKUSA-N 0 0 157.604 1.582 10 0 ADAERN CC(=O)C(=O)N(C)CC1CCCCC1 258840656 573655288 /nfs/dbraw/zinc/65/52/88/573655288.db2.gz CVQRIWNFNVVMFS-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN Cc1ccc([C@](C)(CO)CON)cc1 257841218 573655300 /nfs/dbraw/zinc/65/53/00/573655300.db2.gz MEISNNJFVZZRSP-LLVKDONJSA-N 0 0 195.262 1.135 10 0 ADAERN Cc1nn(C)c2c1[C@H](O)C[C@H](C)S2 238458950 573655310 /nfs/dbraw/zinc/65/53/10/573655310.db2.gz JWYAATSCMPSNDQ-CAHLUQPWSA-N 0 0 198.291 1.646 10 0 ADAERN C[C@@H](O)C(=O)N(C)c1cccc(F)c1 258843482 573655316 /nfs/dbraw/zinc/65/53/16/573655316.db2.gz PHHYGTBRQFHMJW-SSDOTTSWSA-N 0 0 197.209 1.169 10 0 ADAERN C[NH2+][C@H](c1ccccn1)[C@H](C)C(=O)[O-] 259542896 573655317 /nfs/dbraw/zinc/65/53/17/573655317.db2.gz VJSOKTMKJOUZQG-CBAPKCEASA-N 0 0 194.234 1.063 10 0 ADAERN CC(C)(O)CNc1cccs1 258844077 573655343 /nfs/dbraw/zinc/65/53/43/573655343.db2.gz NCLZWGNUNSJHFS-UHFFFAOYSA-N 0 0 171.265 1.931 10 0 ADAERN NOCc1cccc(CC(F)F)c1 258083351 573655346 /nfs/dbraw/zinc/65/53/46/573655346.db2.gz NILLIRNXDLFDFF-UHFFFAOYSA-N 0 0 187.189 1.885 10 0 ADAERN CO[C@]1(CO)CCc2c(C)cccc21 257841209 573655370 /nfs/dbraw/zinc/65/53/70/573655370.db2.gz MEAKPGUHQRNVKO-LBPRGKRZSA-N 0 0 192.258 1.775 10 0 ADAERN C[C@H]1C[C@H]1c1noc(NC2CC2)n1 83810391 573655382 /nfs/dbraw/zinc/65/53/82/573655382.db2.gz GQDYCPWQEGWBMM-CAHLUQPWSA-N 0 0 179.223 1.767 10 0 ADAERN Cn1cc(N)nc1-c1ccccc1 75620449 573655398 /nfs/dbraw/zinc/65/53/98/573655398.db2.gz RYXVJHSCWQBXFV-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN C[C@H](O)[C@@H]1C[C@H]1C 83811129 573655401 /nfs/dbraw/zinc/65/54/01/573655401.db2.gz WLNGEWJRGOHNAA-NGJCXOISSA-N 0 0 100.161 1.023 10 0 ADAERN C[C@H](O)[C@@H](CO)[C@@H]1C=CCCC1 238458250 573655421 /nfs/dbraw/zinc/65/54/21/573655421.db2.gz RZVRPWDRYHBMKY-IVZWLZJFSA-N 0 0 170.252 1.332 10 0 ADAERN Cn1cc(N)nc1C(C)(C)C 75620496 573655424 /nfs/dbraw/zinc/65/54/24/573655424.db2.gz SFAYUUZMHNNBEB-UHFFFAOYSA-N 0 0 153.229 1.300 10 0 ADAERN CCOc1ccc(C(C)=O)nc1 96868720 573655434 /nfs/dbraw/zinc/65/54/34/573655434.db2.gz AXIVMXXDLRKDNB-UHFFFAOYSA-N 0 0 165.192 1.683 10 0 ADAERN C[C@@H]1C[C@H]1c1noc(NC2CC2)n1 83810390 573655444 /nfs/dbraw/zinc/65/54/44/573655444.db2.gz GQDYCPWQEGWBMM-IYSWYEEDSA-N 0 0 179.223 1.767 10 0 ADAERN C[NH2+]Cc1ccnc([C@H]2C[C@@H]2C)n1 83810433 573655450 /nfs/dbraw/zinc/65/54/50/573655450.db2.gz IUQMWOPWWQGDJJ-CBAPKCEASA-N 0 0 177.251 1.319 10 0 ADAERN C[C@H](CO)c1cccc2c1N(C)CC2 257841789 573655464 /nfs/dbraw/zinc/65/54/64/573655464.db2.gz BYVGIUQFZNRXBU-SECBINFHSA-N 0 0 191.274 1.775 10 0 ADAERN C[C@H](O)[C@@H]1C[C@@H]1C 83811130 573655465 /nfs/dbraw/zinc/65/54/65/573655465.db2.gz WLNGEWJRGOHNAA-HCWXCVPCSA-N 0 0 100.161 1.023 10 0 ADAERN C[C@H]1C[C@H]1c1noc(C=O)n1 83810747 573655511 /nfs/dbraw/zinc/65/55/11/573655511.db2.gz XFZURWYHRWTBPV-CRCLSJGQSA-N 0 0 152.153 1.006 10 0 ADAERN CC(C)(C)[C@@H](F)CCO 257841151 573655515 /nfs/dbraw/zinc/65/55/15/573655515.db2.gz OBVGACSBYLAQLB-LURJTMIESA-N 0 0 134.194 1.753 10 0 ADAERN O=C1C[C@H](c2ccccc2Cl)ON1 257841659 573657130 /nfs/dbraw/zinc/65/71/30/573657130.db2.gz MJBZBCZBVJIKGF-MRVPVSSYSA-N 0 0 197.621 1.833 10 0 ADAERN CC(=O)N1c2cscc2NC[C@H]1C 238458289 573657142 /nfs/dbraw/zinc/65/71/42/573657142.db2.gz FZRUWAUACHGCRR-ZCFIWIBFSA-N 0 0 196.275 1.915 10 0 ADAERN C[C@@H]1[C@H](CNC(N)=O)CCC1(C)C 238458203 573657154 /nfs/dbraw/zinc/65/71/54/573657154.db2.gz KINAIVGKUZIDCJ-SFYZADRCSA-N 0 0 184.283 1.727 10 0 ADAERN C[C@H]1C(=O)CCCCCN1C 238471094 573657158 /nfs/dbraw/zinc/65/71/58/573657158.db2.gz UIWMKVBPLZHHPU-QMMMGPOBSA-N 0 0 155.241 1.450 10 0 ADAERN COc1c(O)cccc1[C@H](F)CO 257841165 573657173 /nfs/dbraw/zinc/65/71/73/573657173.db2.gz OCWVTZCMFPRFLO-SSDOTTSWSA-N 0 0 186.182 1.404 10 0 ADAERN C[C@H]1c2ccccc2N[C@H]1CO 238458349 573657176 /nfs/dbraw/zinc/65/71/76/573657176.db2.gz TZUFXJRAEGCQMZ-XVKPBYJWSA-N 0 0 163.220 1.577 10 0 ADAERN CC(=O)Cc1c(F)ccc2c1OCC2 258083348 573657880 /nfs/dbraw/zinc/65/78/80/573657880.db2.gz NILCKWPIPZWMKO-UHFFFAOYSA-N 0 0 194.205 1.892 10 0 ADAERN CC(C)Cn1nc2c(c1N)CN(C)C2 257842786 573657882 /nfs/dbraw/zinc/65/78/82/573657882.db2.gz MSDSLVNKQZWOFX-UHFFFAOYSA-N 0 0 194.282 1.067 10 0 ADAERN CC(C)n1[nH]c2cc(N)ccc2c1=O 257842229 573657900 /nfs/dbraw/zinc/65/79/00/573657900.db2.gz MQRIUMDXIPUXDT-UHFFFAOYSA-N 0 0 191.234 1.493 10 0 ADAERN CC(C)C[C@@H]([NH3+])[C@H](C)CC(=O)[O-] 259545564 573657902 /nfs/dbraw/zinc/65/79/02/573657902.db2.gz XFQFOYIYKSSALI-HTQZYQBOSA-N 0 0 173.256 1.471 10 0 ADAERN C[C@H]1C[C@@H]1c1noc(C=O)n1 83810745 573657191 /nfs/dbraw/zinc/65/71/91/573657191.db2.gz XFZURWYHRWTBPV-WHFBIAKZSA-N 0 0 152.153 1.006 10 0 ADAERN CC(=O)c1nn(C)c2c1CCSC2 257842784 573657911 /nfs/dbraw/zinc/65/79/11/573657911.db2.gz MSCKEYFONCXEOB-UHFFFAOYSA-N 0 0 196.275 1.412 10 0 ADAERN CC(=O)c1occc1N(C)C 75624551 573657201 /nfs/dbraw/zinc/65/72/01/573657201.db2.gz SDTWUGOISWFNKO-UHFFFAOYSA-N 0 0 153.181 1.548 10 0 ADAERN OCCc1coc([C@@H]2CCCCO2)n1 258082444 573657210 /nfs/dbraw/zinc/65/72/10/573657210.db2.gz MLSVZGYITRVRHC-VIFPVBQESA-N 0 0 197.234 1.451 10 0 ADAERN CCC[C@@H](O)N(F)F 144622851 573657915 /nfs/dbraw/zinc/65/79/15/573657915.db2.gz ADPJZJDQNHVHCA-SCSAIBSYSA-N 0 0 125.118 1.176 10 0 ADAERN O=C([O-])[C@@H]1C[C@H](c2ccc(F)cc2)[NH2+]1 257841223 573657227 /nfs/dbraw/zinc/65/72/27/573657227.db2.gz MERRGZPMUWKTQV-BDAKNGLRSA-N 0 0 195.193 1.313 10 0 ADAERN COC(=O)c1c(N)noc1CC(C)C 257841471 573657244 /nfs/dbraw/zinc/65/72/44/573657244.db2.gz KDQCTUSELGJPLA-UHFFFAOYSA-N 0 0 198.222 1.242 10 0 ADAERN CC(=O)N[C@@H]1C[Si](C)(C)C[C@@H]1C 238457980 573657245 /nfs/dbraw/zinc/65/72/45/573657245.db2.gz LINMUQUMCBUUFL-IONNQARKSA-N 0 0 185.343 1.849 10 0 ADAERN C[NH2+]Cc1ccnc([C@H]2C[C@H]2C)n1 83810432 573657270 /nfs/dbraw/zinc/65/72/70/573657270.db2.gz IUQMWOPWWQGDJJ-APPZFPTMSA-N 0 0 177.251 1.319 10 0 ADAERN CCC1([C@H](CO)C(C)C)COC1 258506940 573657299 /nfs/dbraw/zinc/65/72/99/573657299.db2.gz FPHPZZFFTWYPQZ-SECBINFHSA-N 0 0 172.268 1.678 10 0 ADAERN O=Cc1n[nH]cc1C1CC1 257841666 573657325 /nfs/dbraw/zinc/65/73/25/573657325.db2.gz OHIKHJWHLMSTRJ-UHFFFAOYSA-N 0 0 136.154 1.100 10 0 ADAERN CCc1nc(N)nc([C@@H]2C[C@H]2C)n1 83811058 573657336 /nfs/dbraw/zinc/65/73/36/573657336.db2.gz AIHZMSBEKLJOON-PHDIDXHHSA-N 0 0 178.239 1.140 10 0 ADAERN CC(C)(O)[C@H]1Cc2cc(O)ccc2N1 258081788 573657337 /nfs/dbraw/zinc/65/73/37/573657337.db2.gz MVUUMFBAQPRUPW-SNVBAGLBSA-N 0 0 193.246 1.500 10 0 ADAERN C[C@@]1(CO)CCC[C@H]1F 257841628 573657350 /nfs/dbraw/zinc/65/73/50/573657350.db2.gz OGLMMRMSLMIBAL-RQJHMYQMSA-N 0 0 132.178 1.507 10 0 ADAERN COc1ccc2c(c1)C[C@H](C(C)=O)O2 258081830 573657356 /nfs/dbraw/zinc/65/73/56/573657356.db2.gz MWKPOMHJLDVNSU-LLVKDONJSA-N 0 0 192.214 1.588 10 0 ADAERN CC(C)(C)[C@H]1CCNO1 257841738 573657358 /nfs/dbraw/zinc/65/73/58/573657358.db2.gz OKJOIQIYUYBPAM-ZCFIWIBFSA-N 0 0 129.203 1.326 10 0 ADAERN Cc1ccc(C[C@@H](C)C(N)=O)c(C)c1 238458142 573657370 /nfs/dbraw/zinc/65/73/70/573657370.db2.gz MTONVXRNIVABNH-SNVBAGLBSA-N 0 0 191.274 1.967 10 0 ADAERN C[C@@H](CO)c1cc(N(C)C)ccc1O 258083228 573657373 /nfs/dbraw/zinc/65/73/73/573657373.db2.gz NGROBNXUXKPNAY-QMMMGPOBSA-N 0 0 195.262 1.554 10 0 ADAERN CCc1coc(NC)n1 258508064 573657376 /nfs/dbraw/zinc/65/73/76/573657376.db2.gz FBMXQDACXLWSLU-UHFFFAOYSA-N 0 0 126.159 1.279 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(N)nc(C2CC2)n1 83811069 573657380 /nfs/dbraw/zinc/65/73/80/573657380.db2.gz CWMPYJARCISUDY-FSPLSTOPSA-N 0 0 190.250 1.455 10 0 ADAERN C[C@@](F)(CO)c1ccc2c(c1)OCC2 257841658 573657398 /nfs/dbraw/zinc/65/73/98/573657398.db2.gz OHFHKILQLRSDLV-LLVKDONJSA-N 0 0 196.221 1.799 10 0 ADAERN CCc1ccc(CC[N@H+](C)CO)cc1 258849072 573657417 /nfs/dbraw/zinc/65/74/17/573657417.db2.gz DHJFWBGXMLKRMU-UHFFFAOYSA-N 0 0 193.290 1.673 10 0 ADAERN Nc1noc(-c2c(N)cccc2F)n1 83812042 573657446 /nfs/dbraw/zinc/65/74/46/573657446.db2.gz SEAXVCIPYWNVCQ-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN CC(=O)Cc1nc([C@H]2C[C@H]2C)no1 83810752 573657453 /nfs/dbraw/zinc/65/74/53/573657453.db2.gz CVQYITCAEFWDIZ-VDTYLAMSSA-N 0 0 180.207 1.325 10 0 ADAERN Nc1nn(C2CCC2)c2c1CCOC2 257841247 573657457 /nfs/dbraw/zinc/65/74/57/573657457.db2.gz MFCIPSUGWGTZOY-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN COCc1ccc(CCO)c(F)c1 258083449 573657471 /nfs/dbraw/zinc/65/74/71/573657471.db2.gz NLGFOQNUGDIXDS-UHFFFAOYSA-N 0 0 184.210 1.507 10 0 ADAERN Cc1cn2cc(C=O)cc(C)c2n1 107828156 573657491 /nfs/dbraw/zinc/65/74/91/573657491.db2.gz SVPZGRCWOWVSRP-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN CCCc1nc(N)nc([C@H]2C[C@H]2C)n1 83811063 573657501 /nfs/dbraw/zinc/65/75/01/573657501.db2.gz DGAJMEMTLMUQCD-RQJHMYQMSA-N 0 0 192.266 1.530 10 0 ADAERN Cc1cn2cc(C=O)c(C)cc2n1 107828275 573657533 /nfs/dbraw/zinc/65/75/33/573657533.db2.gz RTSMIYPWYKNJIL-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN COC(=O)CCCNc1cc[nH]c1 258846980 573657557 /nfs/dbraw/zinc/65/75/57/573657557.db2.gz CXDNONARNZGKHG-UHFFFAOYSA-N 0 0 182.223 1.380 10 0 ADAERN C[N@H+](C[C@@H]1C[C@@H]1C(=O)[O-])C1CCCC1 258846431 573657561 /nfs/dbraw/zinc/65/75/61/573657561.db2.gz INWDTWDVRYKGGU-WPRPVWTQSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@](O)(CC(N)=S)c1ccccc1 83811826 573657578 /nfs/dbraw/zinc/65/75/78/573657578.db2.gz RBHGJMQZVGJBTQ-JTQLQIEISA-N 0 0 195.287 1.570 10 0 ADAERN C[C@H](CC[N@H+](C)C(C)(C)C)C(=O)[O-] 258851634 573657586 /nfs/dbraw/zinc/65/75/86/573657586.db2.gz JASBXCDOZHZJRL-MRVPVSSYSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@H]1CO[C@H](c2cccc(O)c2)N1 258509024 573657587 /nfs/dbraw/zinc/65/75/87/573657587.db2.gz MNSLGEFYSYODHO-OIBJUYFYSA-N 0 0 179.219 1.399 10 0 ADAERN CCc1nc2c(Cl)cccn2n1 258083588 573657598 /nfs/dbraw/zinc/65/75/98/573657598.db2.gz WBHCYNOUEFAISV-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN CC(C)[C@H](O)COc1ccc(O)cc1 258083155 573657608 /nfs/dbraw/zinc/65/76/08/573657608.db2.gz JJTIOLBCWHDYSC-LLVKDONJSA-N 0 0 196.246 1.788 10 0 ADAERN NOCc1ccc2cc[nH]c2c1F 258082379 573657618 /nfs/dbraw/zinc/65/76/18/573657618.db2.gz VUOQYHVEARJTCW-UHFFFAOYSA-N 0 0 180.182 1.697 10 0 ADAERN C[C@@H]1CCC[N@@H+]1C1(CC(=O)[O-])CCC1 86852779 573657641 /nfs/dbraw/zinc/65/76/41/573657641.db2.gz VXMCHICDSAOGJM-SECBINFHSA-N 0 0 197.278 1.868 10 0 ADAERN OCC[C@@H]1OCc2ccccc2O1 258081227 573657658 /nfs/dbraw/zinc/65/76/58/573657658.db2.gz IAPHECLSNYKBLG-SNVBAGLBSA-N 0 0 180.203 1.304 10 0 ADAERN NOC[C@@H]1Cc2cc(Cl)ccc2O1 258081982 573657664 /nfs/dbraw/zinc/65/76/64/573657664.db2.gz MXWMYRWCWGDPQE-QMMMGPOBSA-N 0 0 199.637 1.534 10 0 ADAERN Nc1ccc(F)c2oncc12 259544342 573657665 /nfs/dbraw/zinc/65/76/65/573657665.db2.gz SWILGPDESPSSKT-UHFFFAOYSA-N 0 0 152.128 1.549 10 0 ADAERN Nc1cccc(N2CCC(=O)C2)c1 259543114 573657672 /nfs/dbraw/zinc/65/76/72/573657672.db2.gz BWKYUBQWSBTRDC-UHFFFAOYSA-N 0 0 176.219 1.048 10 0 ADAERN Clc1cncc(-c2nc[nH]n2)c1 144624133 573657681 /nfs/dbraw/zinc/65/76/81/573657681.db2.gz LZQBNWZXYQHIEO-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN C[C@H](O)Cc1cccc2oncc12 258082417 573657691 /nfs/dbraw/zinc/65/76/91/573657691.db2.gz VVYTUJNVCVRINC-ZETCQYMHSA-N 0 0 177.203 1.751 10 0 ADAERN CC(C)[N@H+](C)CC[C@@H](C)C(=O)[O-] 258847959 573657692 /nfs/dbraw/zinc/65/76/92/573657692.db2.gz IQJYXKZZGKWMCG-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN C[C@H]([NH2+][C@H](C)c1nnn[n-]1)C1CCC1 393587674 573657699 /nfs/dbraw/zinc/65/76/99/573657699.db2.gz XFVYVNNTACJINB-NKWVEPMBSA-N 0 0 195.270 1.039 10 0 ADAERN COc1ccc([C@H](C)O)c(C=O)c1 258082385 573657703 /nfs/dbraw/zinc/65/77/03/573657703.db2.gz VUSVLNODNVCNBL-ZETCQYMHSA-N 0 0 180.203 1.561 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@@H](C)CC(=O)[O-] 259545569 573657709 /nfs/dbraw/zinc/65/77/09/573657709.db2.gz XFQFOYIYKSSALI-YUMQZZPRSA-N 0 0 173.256 1.471 10 0 ADAERN Nc1nnc2ccccc2c1Cl 258082333 573657716 /nfs/dbraw/zinc/65/77/16/573657716.db2.gz VSHCQLVFCFDPND-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN OC/C=C\Cc1cccc(O)c1 258080811 573657720 /nfs/dbraw/zinc/65/77/20/573657720.db2.gz FTLXOPDOVPEYJG-UPHRSURJSA-N 0 0 164.204 1.483 10 0 ADAERN CC(C)OC[C@@H](O)c1ccc(O)cc1 258083032 573657726 /nfs/dbraw/zinc/65/77/26/573657726.db2.gz MMBSZWVKRPLFPE-LLVKDONJSA-N 0 0 196.246 1.851 10 0 ADAERN COC(=O)[C@@H]1CCc2cccc(O)c21 257842219 573657917 /nfs/dbraw/zinc/65/79/17/573657917.db2.gz MQNPWKQGDNPMJX-MRVPVSSYSA-N 0 0 192.214 1.595 10 0 ADAERN CCCc1nn2ccc(=O)cc2[nH]1 258081110 573657782 /nfs/dbraw/zinc/65/77/82/573657782.db2.gz VWNKJAWXGVVHEI-UHFFFAOYSA-N 0 0 177.207 1.387 10 0 ADAERN CN1c2ccc(O)cc2C[C@H]1CCO 258081919 573657801 /nfs/dbraw/zinc/65/78/01/573657801.db2.gz MXHYMSBQBLGOIY-SECBINFHSA-N 0 0 193.246 1.136 10 0 ADAERN Cc1c(C=O)cc(O)c(O)c1C 258508875 573657816 /nfs/dbraw/zinc/65/78/16/573657816.db2.gz LCMSXJAUTDFLBV-UHFFFAOYSA-N 0 0 166.176 1.527 10 0 ADAERN CC(=O)CCN(C)c1ccc[nH]1 258853384 573657822 /nfs/dbraw/zinc/65/78/22/573657822.db2.gz DRYPBMSTMPWHNW-UHFFFAOYSA-N 0 0 166.224 1.430 10 0 ADAERN C[C@H](ON)C(=O)Nc1ccc(F)cc1 107833886 573657839 /nfs/dbraw/zinc/65/78/39/573657839.db2.gz KJOQGLMOVIQDRF-LURJTMIESA-N 0 0 198.197 1.043 10 0 ADAERN Cc1cc(CCON)c(F)cc1F 258083433 573657847 /nfs/dbraw/zinc/65/78/47/573657847.db2.gz NKTUJTRANDYWQJ-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN OCC[C@@H]1CNc2cccc(F)c21 258081835 573657854 /nfs/dbraw/zinc/65/78/54/573657854.db2.gz MWPAVHVOEYDCAH-SSDOTTSWSA-N 0 0 181.210 1.717 10 0 ADAERN Cc1cc(N)[nH+]cc1[C@H]1CCC(=O)C1 238458157 573657122 /nfs/dbraw/zinc/65/71/22/573657122.db2.gz SCOMKZOLKBCCAV-QMMMGPOBSA-N 0 0 190.246 1.809 10 0 ADAERN CO[C@H]1CCC(C)(C)[C@H]1O 86866540 573658853 /nfs/dbraw/zinc/65/88/53/573658853.db2.gz DUWRNXKUGVRLSH-BQBZGAKWSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1cc(C[NH+](C)C)ccc1C(=O)[O-] 258082187 573658873 /nfs/dbraw/zinc/65/88/73/573658873.db2.gz ILZKPTACJNTWNP-UHFFFAOYSA-N 0 0 193.246 1.755 10 0 ADAERN COc1ccc2c(c1)NC(=O)N[C@H]2C 257842207 573658878 /nfs/dbraw/zinc/65/88/78/573658878.db2.gz MPWXGJKFZRGJTG-LURJTMIESA-N 0 0 192.218 1.891 10 0 ADAERN Cc1ccc(N[C@H](O)[C@H](C)O)cc1C 238471716 573658879 /nfs/dbraw/zinc/65/88/79/573658879.db2.gz JHJVHCXQHRTDPS-GXSJLCMTSA-N 0 0 195.262 1.415 10 0 ADAERN C[C@]1(Cl)CC=C[C@H]1O 144616053 573658881 /nfs/dbraw/zinc/65/88/81/573658881.db2.gz SRPJDSUBZXEYCQ-RITPCOANSA-N 0 0 132.590 1.305 10 0 ADAERN Cc1cc(C=O)c2nc(C)cn2c1 107828395 573658883 /nfs/dbraw/zinc/65/88/83/573658883.db2.gz XRDXNXSVXJYHDJ-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN C[C@@H]1N=Cc2ccccc2[C@H]1O 107832928 573658909 /nfs/dbraw/zinc/65/89/09/573658909.db2.gz ARWFFCLGZIUTFF-XVKPBYJWSA-N 0 0 161.204 1.541 10 0 ADAERN OCc1nc([C@@H]2CCCCO2)cs1 258080789 573658111 /nfs/dbraw/zinc/65/81/11/573658111.db2.gz MGPGBLAACLEDHI-QMMMGPOBSA-N 0 0 199.275 1.877 10 0 ADAERN Cn1[nH]c(=O)cc1-c1ccccc1O 257843332 573658122 /nfs/dbraw/zinc/65/81/22/573658122.db2.gz MXLLNLGUZAREDD-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN COCc1ccccc1C[C@@H](C)O 258082361 573658140 /nfs/dbraw/zinc/65/81/40/573658140.db2.gz VTRWZMATHVZZOM-SECBINFHSA-N 0 0 180.247 1.756 10 0 ADAERN Cc1cn(C)c2c(CON)cccc12 258081986 573658150 /nfs/dbraw/zinc/65/81/50/573658150.db2.gz MYDZZKUQZJQRJY-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN CC(C)Cn1nc2c(c1C=O)COC2 257843383 573658171 /nfs/dbraw/zinc/65/81/71/573658171.db2.gz MYFYWQMHYQZXEY-UHFFFAOYSA-N 0 0 194.234 1.382 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2c(F)cccc2O1 258083682 573658197 /nfs/dbraw/zinc/65/81/97/573658197.db2.gz HPUBCCJOKJZBQQ-SFYZADRCSA-N 0 0 196.221 1.900 10 0 ADAERN CC(C)[C@]1(C)[NH2+][C@H](C(=O)[O-])CS1 83822807 573658215 /nfs/dbraw/zinc/65/82/15/573658215.db2.gz HFPHJQWMMRJEKJ-POYBYMJQSA-N 0 0 189.280 1.148 10 0 ADAERN COC(=O)[C@@]1(C2CC2)CC1(C)C 259544033 573658228 /nfs/dbraw/zinc/65/82/28/573658228.db2.gz GQVCGQUINRANLZ-JTQLQIEISA-N 0 0 168.236 1.986 10 0 ADAERN OCCc1coc([C@H]2CCCCO2)n1 258082441 573658234 /nfs/dbraw/zinc/65/82/34/573658234.db2.gz MLSVZGYITRVRHC-SECBINFHSA-N 0 0 197.234 1.451 10 0 ADAERN CCCc1nnc2ccc(C=O)cn12 107822391 573658239 /nfs/dbraw/zinc/65/82/39/573658239.db2.gz PYLOZZRTHXGDEZ-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN CSC[C@H](CO)c1ccncc1 258082881 573658248 /nfs/dbraw/zinc/65/82/48/573658248.db2.gz CXQUUWRBGANDNX-VIFPVBQESA-N 0 0 183.276 1.521 10 0 ADAERN C[C@H](O)c1cn(C)c2c(O)cccc12 258083527 573658269 /nfs/dbraw/zinc/65/82/69/573658269.db2.gz HNGWBYYPGYEBRA-ZETCQYMHSA-N 0 0 191.230 1.937 10 0 ADAERN NOCC(=O)c1c[nH]c2ccccc12 107834046 573658292 /nfs/dbraw/zinc/65/82/92/573658292.db2.gz IQVQKWVJSSSRTJ-UHFFFAOYSA-N 0 0 190.202 1.241 10 0 ADAERN OCc1nc([C@H]2CCCCO2)cs1 258080787 573658293 /nfs/dbraw/zinc/65/82/93/573658293.db2.gz MGPGBLAACLEDHI-MRVPVSSYSA-N 0 0 199.275 1.877 10 0 ADAERN CCc1nnc2c(C)cc(C=O)cn12 107822321 573658304 /nfs/dbraw/zinc/65/83/04/573658304.db2.gz ZNWPFLLFKWCAQF-UHFFFAOYSA-N 0 0 189.218 1.413 10 0 ADAERN COCCCCNC(=O)/C=C/C1CC1 742544713 573658343 /nfs/dbraw/zinc/65/83/43/573658343.db2.gz RNIVBUPHEDCWEE-VOTSOKGWSA-N 0 0 197.278 1.495 10 0 ADAERN COc1cc(C)c(C(N)=S)c(C)c1 107831839 573658361 /nfs/dbraw/zinc/65/83/61/573658361.db2.gz IENHIXPQOKBMSE-UHFFFAOYSA-N 0 0 195.287 1.946 10 0 ADAERN Cc1ccc2c(c1CO)CCO2 258082363 573658368 /nfs/dbraw/zinc/65/83/68/573658368.db2.gz VTTSHSUPHPOTFP-UHFFFAOYSA-N 0 0 164.204 1.422 10 0 ADAERN CCn1cncc1C(C)(C)C(=O)OC 259544919 573658371 /nfs/dbraw/zinc/65/83/71/573658371.db2.gz BDKRIBNPQQHNCR-UHFFFAOYSA-N 0 0 196.250 1.354 10 0 ADAERN CC1(C)CCc2[nH]c(C=O)nc21 86867497 573658428 /nfs/dbraw/zinc/65/84/28/573658428.db2.gz YEDUTRXYZLVBKS-UHFFFAOYSA-N 0 0 164.208 1.446 10 0 ADAERN CC1(C)CC[C@H](OCC2CC2)[C@@H]1O 86866635 573658450 /nfs/dbraw/zinc/65/84/50/573658450.db2.gz GSCMDEHHHIDJBJ-UWVGGRQHSA-N 0 0 184.279 1.963 10 0 ADAERN CC(C)=C1CC[C@H](C)[C@@H]1C(N)=O 238472798 573658475 /nfs/dbraw/zinc/65/84/75/573658475.db2.gz CHMHEOLKXWLOAD-CBAPKCEASA-N 0 0 167.252 1.854 10 0 ADAERN CC1(C)CCC[C@]1(O)[C@@H]1CCOC1 86867276 573658476 /nfs/dbraw/zinc/65/84/76/573658476.db2.gz CQWVWNARCCSYIP-KOLCDFICSA-N 0 0 184.279 1.964 10 0 ADAERN O=c1[nH]n(C2CCC2)c2c1CCOC2 257843322 573658478 /nfs/dbraw/zinc/65/84/78/573658478.db2.gz MWZFQLLHKLAAJJ-UHFFFAOYSA-N 0 0 194.234 1.386 10 0 ADAERN Nc1cc(F)cn2c3c(nc12)CCC3 107828589 573658480 /nfs/dbraw/zinc/65/84/80/573658480.db2.gz CTXBQLMMRUBXOM-UHFFFAOYSA-N 0 0 191.209 1.544 10 0 ADAERN C[C@H]1C2CCC(CC2)[C@@]1([NH3+])C(=O)[O-] 238472796 573658490 /nfs/dbraw/zinc/65/84/90/573658490.db2.gz PDDPNRVYLNQHEC-GFYAPUPRSA-N 0 0 183.251 1.225 10 0 ADAERN CC1(C)CC[C@@H](n2cncn2)[C@@H]1O 86866477 573658508 /nfs/dbraw/zinc/65/85/08/573658508.db2.gz RJYPWHDPHAQGLW-SFYZADRCSA-N 0 0 181.239 1.000 10 0 ADAERN C[NH+]1CCC(/C=C/C=C\C(=O)[O-])CC1 258082939 573658529 /nfs/dbraw/zinc/65/85/29/573658529.db2.gz MLJVSZNYHCUCBI-HZDAAVBUSA-N 0 0 195.262 1.525 10 0 ADAERN CONCc1ccc2c(c1C)OCO2 258083404 573658537 /nfs/dbraw/zinc/65/85/37/573658537.db2.gz NJEMXMUTMWNGOW-UHFFFAOYSA-N 0 0 195.218 1.375 10 0 ADAERN CCc1ccc(N(C)C[NH2+]C)cc1 258846198 573658540 /nfs/dbraw/zinc/65/85/40/573658540.db2.gz ILEHVLQXNBUQRN-UHFFFAOYSA-N 0 0 178.279 1.862 10 0 ADAERN COc1c(N)ccc2nn(C)cc12 259544554 573658548 /nfs/dbraw/zinc/65/85/48/573658548.db2.gz TUJRIWONJPJIHV-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN Cc1cnc(C)c(-n2cccn2)n1 83813157 573658559 /nfs/dbraw/zinc/65/85/59/573658559.db2.gz HNVSSQCTEJNACH-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CC1(C)CCC[C@@]1(O)c1cnccn1 86867281 573658572 /nfs/dbraw/zinc/65/85/72/573658572.db2.gz FZWJAIQXQBFCGH-LLVKDONJSA-N 0 0 192.262 1.874 10 0 ADAERN CC1(C)CCc2cc(N)nnc21 86866730 573658581 /nfs/dbraw/zinc/65/85/81/573658581.db2.gz JMJHIQWUXTWUQU-UHFFFAOYSA-N 0 0 163.224 1.283 10 0 ADAERN CCOC[C@]1(O)CCCC1(C)C 86867371 573658588 /nfs/dbraw/zinc/65/85/88/573658588.db2.gz ZHXKTJBAIUAQPO-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN COCCCCNC(=O)/C=C\C1CC1 742544712 573658597 /nfs/dbraw/zinc/65/85/97/573658597.db2.gz RNIVBUPHEDCWEE-SREVYHEPSA-N 0 0 197.278 1.495 10 0 ADAERN Cc1cc(O)ccc1-c1cnoc1N 258083360 573658599 /nfs/dbraw/zinc/65/85/99/573658599.db2.gz NINWGPQXHHYJPK-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CN[C@@]1(C(=O)OC)CCCC1(C)C 86866232 573658603 /nfs/dbraw/zinc/65/86/03/573658603.db2.gz WMMXDKJVQJPMAZ-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@H]([NH2+][C@H](C)C1CCC1)c1nnn[n-]1 393587676 573658644 /nfs/dbraw/zinc/65/86/44/573658644.db2.gz XFVYVNNTACJINB-RQJHMYQMSA-N 0 0 195.270 1.039 10 0 ADAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O 238472839 573658649 /nfs/dbraw/zinc/65/86/49/573658649.db2.gz CNDFUFPBAKXZBE-VGMNWLOBSA-N 0 0 167.252 1.701 10 0 ADAERN COC(=O)c1cc(N)c(C)c(O)c1C 257842815 573658654 /nfs/dbraw/zinc/65/86/54/573658654.db2.gz MTRNILCSRUJPGR-UHFFFAOYSA-N 0 0 195.218 1.378 10 0 ADAERN Cc1cc(Cl)c2nc(CN)nn2c1 107830047 573658660 /nfs/dbraw/zinc/65/86/60/573658660.db2.gz YZBNVNVYRWIYAD-UHFFFAOYSA-N 0 0 196.641 1.150 10 0 ADAERN Cc1ccn([C@@H]2CCC(C)(C)[C@H]2O)n1 86866522 573658669 /nfs/dbraw/zinc/65/86/69/573658669.db2.gz OZUKYZAGDXZJRG-ZJUUUORDSA-N 0 0 194.278 1.914 10 0 ADAERN CCCO[C@@H]1CCC(C)(C)[C@H]1O 86866641 573658679 /nfs/dbraw/zinc/65/86/79/573658679.db2.gz IDQMANIKACQMFN-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1nccn1[C@H]1CCC(C)(C)[C@@H]1O 86866459 573658692 /nfs/dbraw/zinc/65/86/92/573658692.db2.gz NCVQWZQTJBLOTP-VHSXEESVSA-N 0 0 194.278 1.914 10 0 ADAERN CC(C)(C)C1(C2(CO)CC2)COC1 259153641 573658698 /nfs/dbraw/zinc/65/86/98/573658698.db2.gz IITRBCDJRLJYAA-UHFFFAOYSA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@H]1CNc2cccc(F)c21 258081837 573658704 /nfs/dbraw/zinc/65/87/04/573658704.db2.gz MWPAVHVOEYDCAH-ZETCQYMHSA-N 0 0 181.210 1.717 10 0 ADAERN CCc1nnc2c(C=O)cc(C)cn12 107822536 573658720 /nfs/dbraw/zinc/65/87/20/573658720.db2.gz IETWKIDDPCNWJH-UHFFFAOYSA-N 0 0 189.218 1.413 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1/C=C\CC(=O)[O-] 258081104 573658732 /nfs/dbraw/zinc/65/87/32/573658732.db2.gz FXOYFAGIHRMSFF-XTULLQBASA-N 0 0 183.251 1.502 10 0 ADAERN CCc1nnc2cc(Cl)nc(C)n12 83815077 573658748 /nfs/dbraw/zinc/65/87/48/573658748.db2.gz QGFOYALFHYDULZ-UHFFFAOYSA-N 0 0 196.641 1.649 10 0 ADAERN Cc1ncc(CO)c(C(F)F)c1F 238472826 573658762 /nfs/dbraw/zinc/65/87/62/573658762.db2.gz VNSWNXZJKJQGJP-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CCC[C@H](O)N(F)F 144623064 573658784 /nfs/dbraw/zinc/65/87/84/573658784.db2.gz ADPJZJDQNHVHCA-BYPYZUCNSA-N 0 0 125.118 1.176 10 0 ADAERN CC(=O)c1cc(-c2cccnc2)on1 258413311 573658806 /nfs/dbraw/zinc/65/88/06/573658806.db2.gz DEEFRKDLJONSSU-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@@H](C2CC2)CC[NH2+]1 258509565 573658812 /nfs/dbraw/zinc/65/88/12/573658812.db2.gz KTTYUZKFOGZILF-WCBMZHEXSA-N 0 0 183.251 1.239 10 0 ADAERN COc1cc(C)cc(C(N)=S)c1 144581696 573658823 /nfs/dbraw/zinc/65/88/23/573658823.db2.gz GFTRYKUBPRQJET-UHFFFAOYSA-N 0 0 181.260 1.638 10 0 ADAERN COCc1nnc2c(Cl)cccn12 258509455 573658829 /nfs/dbraw/zinc/65/88/29/573658829.db2.gz KRERNGBPQAAPBY-UHFFFAOYSA-N 0 0 197.625 1.529 10 0 ADAERN O=CC1=NO[C@@H](c2cccc(O)c2)C1 257843311 573658832 /nfs/dbraw/zinc/65/88/32/573658832.db2.gz MWRPIAGQNPVPPC-SNVBAGLBSA-N 0 0 191.186 1.409 10 0 ADAERN CC1(C)CC[C@H](n2cccn2)[C@@H]1O 86866470 573658998 /nfs/dbraw/zinc/65/89/98/573658998.db2.gz ROZMFUWURQZWOW-IUCAKERBSA-N 0 0 180.251 1.605 10 0 ADAERN NOC[C@H]1Cc2cc(Cl)ccc2O1 258081980 573659007 /nfs/dbraw/zinc/65/90/07/573659007.db2.gz MXWMYRWCWGDPQE-MRVPVSSYSA-N 0 0 199.637 1.534 10 0 ADAERN CCCc1nc2ccc(O)cn2n1 258082697 573659013 /nfs/dbraw/zinc/65/90/13/573659013.db2.gz WUGFHMHLXDESPQ-UHFFFAOYSA-N 0 0 177.207 1.387 10 0 ADAERN CC1(C)CCC[C@@]12CC(=O)NC2=O 86865516 573659054 /nfs/dbraw/zinc/65/90/54/573659054.db2.gz QAAZQUUIZJWVTC-JTQLQIEISA-N 0 0 181.235 1.229 10 0 ADAERN O=c1nncc(-c2ccccc2F)[nH]1 257842785 573659059 /nfs/dbraw/zinc/65/90/59/573659059.db2.gz MSCYKFZIVOYGBN-UHFFFAOYSA-N 0 0 191.165 1.383 10 0 ADAERN COc1c(C)ccc(C2(O)CC2)c1O 258083165 573659067 /nfs/dbraw/zinc/65/90/67/573659067.db2.gz NFWFUOSCRRCXGJ-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CC(C)OC[C@H](O)c1ccc(O)cc1 258083037 573659149 /nfs/dbraw/zinc/65/91/49/573659149.db2.gz MMBSZWVKRPLFPE-NSHDSACASA-N 0 0 196.246 1.851 10 0 ADAERN C[NH+](C)[C@]1(C(=O)[O-])CCCC1(C)C 86867527 573659165 /nfs/dbraw/zinc/65/91/65/573659165.db2.gz CNHQCHGGCVBMRB-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccc(SCCO)c(O)c1 238472110 573659186 /nfs/dbraw/zinc/65/91/86/573659186.db2.gz JDJHDOHULPVVKN-UHFFFAOYSA-N 0 0 184.260 1.785 10 0 ADAERN O=Cc1noc(Cc2ccccc2)n1 258083793 573659192 /nfs/dbraw/zinc/65/91/92/573659192.db2.gz RBJYIFXLIMIXOQ-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN NO[C@@H](CO)c1cccc(Cl)c1 257842808 573659194 /nfs/dbraw/zinc/65/91/94/573659194.db2.gz MSSWRCRYPVZJOD-QMMMGPOBSA-N 0 0 187.626 1.264 10 0 ADAERN O=Cc1ccc(CCC2(O)CC2)cc1 259544573 573659237 /nfs/dbraw/zinc/65/92/37/573659237.db2.gz TURPQSHKSYHEBT-UHFFFAOYSA-N 0 0 190.242 1.957 10 0 ADAERN C[C@@H]1C[C@@H]2CCC(=O)C[C@@H]2O1 238472426 573659241 /nfs/dbraw/zinc/65/92/41/573659241.db2.gz IBHPEPLAUJZFNV-FJXKBIBVSA-N 0 0 154.209 1.533 10 0 ADAERN COC(=O)[C@H]1CCc2cccc(O)c21 257842221 573659242 /nfs/dbraw/zinc/65/92/42/573659242.db2.gz MQNPWKQGDNPMJX-QMMMGPOBSA-N 0 0 192.214 1.595 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCCC1(C)C 86866170 573659260 /nfs/dbraw/zinc/65/92/60/573659260.db2.gz ASVJCCLVDLZUMH-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN CNC(NC)c1ccc(OC)c(F)c1 259544891 573659280 /nfs/dbraw/zinc/65/92/80/573659280.db2.gz VMFXRBQZJWHXOV-UHFFFAOYSA-N 0 0 198.241 1.272 10 0 ADAERN OCCO[C@]12C=C[C@H](CCCC1)O2 144522696 573659349 /nfs/dbraw/zinc/65/93/49/573659349.db2.gz PFMAXXUPXNNPNS-VHSXEESVSA-N 0 0 184.235 1.221 10 0 ADAERN CC1(C)CCC[C@@]1(O)c1cncnc1 86867077 573659359 /nfs/dbraw/zinc/65/93/59/573659359.db2.gz MKYQEMMGHHAHGK-LLVKDONJSA-N 0 0 192.262 1.874 10 0 ADAERN CC1(C)CC[C@H](n2cncn2)[C@@H]1O 86866476 573659364 /nfs/dbraw/zinc/65/93/64/573659364.db2.gz RJYPWHDPHAQGLW-YUMQZZPRSA-N 0 0 181.239 1.000 10 0 ADAERN CC1(C)CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] 86866196 573659371 /nfs/dbraw/zinc/65/93/71/573659371.db2.gz LRJBIFBUWBSSMX-LLVKDONJSA-N 0 0 197.278 1.772 10 0 ADAERN Nc1nc(-c2ccncn2)cs1 107833212 573659374 /nfs/dbraw/zinc/65/93/74/573659374.db2.gz UWGKGMCUQXIVND-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCOC(=O)/C=C1/CCCCC[C@H]1O 224517522 573659399 /nfs/dbraw/zinc/65/93/99/573659399.db2.gz LSTDBDJPIZDZAV-HSTULFTRSA-N 0 0 198.262 1.801 10 0 ADAERN CC1(C)CC[C@@H](OCC2CC2)[C@@H]1O 86866636 573659405 /nfs/dbraw/zinc/65/94/05/573659405.db2.gz GSCMDEHHHIDJBJ-ZJUUUORDSA-N 0 0 184.279 1.963 10 0 ADAERN CC1=N[C@H](C)C(c2ccccc2)=NN1 238471688 573659426 /nfs/dbraw/zinc/65/94/26/573659426.db2.gz VFYVXOTVVYIPEH-MRVPVSSYSA-N 0 0 187.246 1.801 10 0 ADAERN CC1(C)CC[C@H](n2ccnc2)[C@H]1O 86866456 573659476 /nfs/dbraw/zinc/65/94/76/573659476.db2.gz MAZQDJIWVIUAOZ-DTWKUNHWSA-N 0 0 180.251 1.605 10 0 ADAERN C[C@@H](CC[NH2+]CC(C)(C)C)C(=O)[O-] 258847992 573659487 /nfs/dbraw/zinc/65/94/87/573659487.db2.gz IRARZMJQWRZJAU-QMMMGPOBSA-N 0 0 187.283 1.733 10 0 ADAERN CCN(CC)C(=O)[C@@H](CO)C(C)C 258848438 573659506 /nfs/dbraw/zinc/65/95/06/573659506.db2.gz XLWRVXLACBJIRI-VIFPVBQESA-N 0 0 187.283 1.119 10 0 ADAERN Oc1ccc2c(c1)cc1n2C[C@@H](O)C1 259545727 573659536 /nfs/dbraw/zinc/65/95/36/573659536.db2.gz CCIDEKXPALINLQ-JTQLQIEISA-N 0 0 189.214 1.264 10 0 ADAERN C[C@]1(c2cccc(F)c2)CNC(=O)O1 257843232 573659551 /nfs/dbraw/zinc/65/95/51/573659551.db2.gz MVRSMDYLIIUBCI-SNVBAGLBSA-N 0 0 195.193 1.781 10 0 ADAERN [NH3+]CNCCc1cc(F)ccc1F 258846334 573659554 /nfs/dbraw/zinc/65/95/54/573659554.db2.gz IMQGWSXMGVOVKO-UHFFFAOYSA-N 0 0 186.205 1.013 10 0 ADAERN Cc1ccsc1NC(=O)CCO 258847089 573659574 /nfs/dbraw/zinc/65/95/74/573659574.db2.gz NLKBUPYRXZPOLE-UHFFFAOYSA-N 0 0 185.248 1.377 10 0 ADAERN C[C@H]([NH3+])c1nc([C@H]2CCCS2)c[nH]1 257842502 573659601 /nfs/dbraw/zinc/65/96/01/573659601.db2.gz CBWLVDWPYLMNOA-POYBYMJQSA-N 0 0 197.307 1.998 10 0 ADAERN Cc1ccc(CO)c(C(F)F)n1 238471722 573659605 /nfs/dbraw/zinc/65/96/05/573659605.db2.gz LAILWXBMKMSBBF-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN CCO[C@H]1CCC(C)(C)[C@H]1O 86866547 573659621 /nfs/dbraw/zinc/65/96/21/573659621.db2.gz LQYURCAJRDMEPL-YUMQZZPRSA-N 0 0 158.241 1.572 10 0 ADAERN COC[C@]1(O)CCCC1(C)C 86867378 573659627 /nfs/dbraw/zinc/65/96/27/573659627.db2.gz KYSBIPSCLJETDS-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1ccc(CO)c2c1OCCC2=O 238472495 573659635 /nfs/dbraw/zinc/65/96/35/573659635.db2.gz IGQOQGNINNWTCV-UHFFFAOYSA-N 0 0 192.214 1.453 10 0 ADAERN CNc1ncc2c(n1)C(C)(C)CC2 86867478 573659640 /nfs/dbraw/zinc/65/96/40/573659640.db2.gz XBMNEKMRNBGCET-UHFFFAOYSA-N 0 0 177.251 1.742 10 0 ADAERN CNOCCC1CCC1 257842331 573659686 /nfs/dbraw/zinc/65/96/86/573659686.db2.gz OQAJFVKSDRMRTP-UHFFFAOYSA-N 0 0 129.203 1.328 10 0 ADAERN Cc1c(N)sc2c1C(=O)CN(C)C2 75628395 573659693 /nfs/dbraw/zinc/65/96/93/573659693.db2.gz CSTMNFBMPCBZLC-UHFFFAOYSA-N 0 0 196.275 1.267 10 0 ADAERN COC(=O)c1nsc2cc(C)oc12 259544630 573659699 /nfs/dbraw/zinc/65/96/99/573659699.db2.gz BBPQCXDDUBFOBU-UHFFFAOYSA-N 0 0 197.215 1.984 10 0 ADAERN C[C@@]1(c2cccc(F)c2)CNC(=O)O1 257843231 573659706 /nfs/dbraw/zinc/65/97/06/573659706.db2.gz MVRSMDYLIIUBCI-JTQLQIEISA-N 0 0 195.193 1.781 10 0 ADAERN CN[C@]1(C(=O)OC)CCCC1(C)C 86866231 573659720 /nfs/dbraw/zinc/65/97/20/573659720.db2.gz WMMXDKJVQJPMAZ-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CC1(C)CCC[C@@]1(O)[C@H]1CCOC1 86867279 573662601 /nfs/dbraw/zinc/66/26/01/573662601.db2.gz CQWVWNARCCSYIP-GXSJLCMTSA-N 0 0 184.279 1.964 10 0 ADAERN COc1ccc2c(c1)C(CO)=C2 144619175 573662618 /nfs/dbraw/zinc/66/26/18/573662618.db2.gz FCNWBOLILAEBPO-UHFFFAOYSA-N 0 0 162.188 1.542 10 0 ADAERN C[C@@H]1C[C@@H](c2ccccc2)C(=O)N1 238471455 573662644 /nfs/dbraw/zinc/66/26/44/573662644.db2.gz HXUXZNSLNOSRMW-SCZZXKLOSA-N 0 0 175.231 1.679 10 0 ADAERN C[NH+](C)[C@@]1(C(=O)[O-])CCCC1(C)C 86867528 573662646 /nfs/dbraw/zinc/66/26/46/573662646.db2.gz CNHQCHGGCVBMRB-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccc(CO)c2c1C(=O)CCO2 238472693 573662663 /nfs/dbraw/zinc/66/26/63/573662663.db2.gz BBWVYVWZAWBBQC-UHFFFAOYSA-N 0 0 192.214 1.453 10 0 ADAERN Cc1nccn1[C@@H]1CCC(C)(C)[C@@H]1O 86866458 573662673 /nfs/dbraw/zinc/66/26/73/573662673.db2.gz NCVQWZQTJBLOTP-NXEZZACHSA-N 0 0 194.278 1.914 10 0 ADAERN CNOCC[C@@H]1CCCCO1 258509310 573662689 /nfs/dbraw/zinc/66/26/89/573662689.db2.gz LFFOOTSZKBXUCN-QMMMGPOBSA-N 0 0 159.229 1.097 10 0 ADAERN COc1c(C)cc(F)cc1C(N)=S 107839761 573662692 /nfs/dbraw/zinc/66/26/92/573662692.db2.gz UHAMCRCAZBIDHQ-UHFFFAOYSA-N 0 0 199.250 1.777 10 0 ADAERN CC1(C)CC[C@@H](n2ccnc2)[C@@H]1O 86866455 573662725 /nfs/dbraw/zinc/66/27/25/573662725.db2.gz MAZQDJIWVIUAOZ-BDAKNGLRSA-N 0 0 180.251 1.605 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@H](C2CC2)CC[NH2+]1 258509563 573662735 /nfs/dbraw/zinc/66/27/35/573662735.db2.gz KTTYUZKFOGZILF-SCZZXKLOSA-N 0 0 183.251 1.239 10 0 ADAERN OCc1cccc2ccc3nccn3c12 257843642 573662738 /nfs/dbraw/zinc/66/27/38/573662738.db2.gz CKPLLCPWUYEWJD-UHFFFAOYSA-N 0 0 198.225 1.980 10 0 ADAERN Cn1ccnc1[C@]1(O)CCCC1(C)C 86867000 573662742 /nfs/dbraw/zinc/66/27/42/573662742.db2.gz HUMYFFCPDOYBLA-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN CO[C@@H]1CCC(C)(C)[C@@H]1O 86866543 573662799 /nfs/dbraw/zinc/66/27/99/573662799.db2.gz DUWRNXKUGVRLSH-RNFRBKRXSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1nccn1[C@@H]1CCC(C)(C)[C@H]1O 86866460 573662833 /nfs/dbraw/zinc/66/28/33/573662833.db2.gz NCVQWZQTJBLOTP-ZJUUUORDSA-N 0 0 194.278 1.914 10 0 ADAERN Cn1nnc(N)c1-c1ccccc1F 257845780 573662855 /nfs/dbraw/zinc/66/28/55/573662855.db2.gz NOURHBDUIUHHDR-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN COc1c(CO)ccc(C)c1F 258084507 573662858 /nfs/dbraw/zinc/66/28/58/573662858.db2.gz WBPXUEAKNCQOKH-UHFFFAOYSA-N 0 0 170.183 1.635 10 0 ADAERN C[C@@H]1C[C@@H](c2cccnc2)NC1=O 238471883 573662867 /nfs/dbraw/zinc/66/28/67/573662867.db2.gz CWPNYWQKWWRNQW-APPZFPTMSA-N 0 0 176.219 1.279 10 0 ADAERN C[C@@]1(Br)CCC[C@@H]1O 238472252 573662882 /nfs/dbraw/zinc/66/28/82/573662882.db2.gz BBUXUOKBNZFAFV-NTSWFWBYSA-N 0 0 179.057 1.685 10 0 ADAERN COc1nc(N)c2ccsc2n1 107833047 573662887 /nfs/dbraw/zinc/66/28/87/573662887.db2.gz NNAOXELTMQWUNS-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN [NH3+]C/C=C/c1cc([O-])ccc1C=O 258084400 573662895 /nfs/dbraw/zinc/66/28/95/573662895.db2.gz VYOQYMLOSYTRTJ-OWOJBTEDSA-N 0 0 177.203 1.177 10 0 ADAERN CCCOCc1nnc([C@H](C)N)o1 233233860 573662898 /nfs/dbraw/zinc/66/28/98/573662898.db2.gz RSTNYGWGUNIHLX-LURJTMIESA-N 0 0 185.227 1.016 10 0 ADAERN Cn1cncc1-c1csc(N)n1 107833201 573662906 /nfs/dbraw/zinc/66/29/06/573662906.db2.gz HAUQPQKYPIZTKH-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN CC1(C)CCc2sc(=O)[nH]c21 86865629 573662909 /nfs/dbraw/zinc/66/29/09/573662909.db2.gz VZNBCUNUALCFNL-UHFFFAOYSA-N 0 0 169.249 1.660 10 0 ADAERN Cc1cnn([C@@H]2CCC(C)(C)[C@@H]2O)c1 86866492 573662917 /nfs/dbraw/zinc/66/29/17/573662917.db2.gz DVQHACSGSPTGLN-NXEZZACHSA-N 0 0 194.278 1.914 10 0 ADAERN CC(=O)c1cccc(C2(CO)CC2)c1 257843271 573662927 /nfs/dbraw/zinc/66/29/27/573662927.db2.gz MWCGRMZQVNVQCS-UHFFFAOYSA-N 0 0 190.242 1.913 10 0 ADAERN CCCO[C@@H]1CCC(C)(C)[C@@H]1O 86866639 573662936 /nfs/dbraw/zinc/66/29/36/573662936.db2.gz IDQMANIKACQMFN-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ncc(CO)c(C(F)F)c1N 238472886 573662962 /nfs/dbraw/zinc/66/29/62/573662962.db2.gz NCDZOWSHODAXIG-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CNc1nc(C)nnc1-c1cc[nH]c1 259153446 573662974 /nfs/dbraw/zinc/66/29/74/573662974.db2.gz KNOURBOXXIDCLX-UHFFFAOYSA-N 0 0 189.222 1.217 10 0 ADAERN CCc1c(N)sc2c1C(=O)COC2 75627832 573662984 /nfs/dbraw/zinc/66/29/84/573662984.db2.gz NDGOMCQAYLRQGH-UHFFFAOYSA-N 0 0 197.259 1.606 10 0 ADAERN Cc1ccc(CO)c2c1C(=O)CC2 238472541 573662999 /nfs/dbraw/zinc/66/29/99/573662999.db2.gz KURXXYYIPSGEJB-UHFFFAOYSA-N 0 0 176.215 1.616 10 0 ADAERN Cc1cc(F)c(CCO)cc1O 258084388 573663005 /nfs/dbraw/zinc/66/30/05/573663005.db2.gz VXYNLUYECIDYQW-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN C[C@H]1N=Cc2ccccc2[C@H]1O 107832924 573663008 /nfs/dbraw/zinc/66/30/08/573663008.db2.gz ARWFFCLGZIUTFF-XCBNKYQSSA-N 0 0 161.204 1.541 10 0 ADAERN C[C@@H]1C[C@@H]2CC(=O)[C@@]2(C)O1 238472206 573663020 /nfs/dbraw/zinc/66/30/20/573663020.db2.gz OPHZOQZOIUNSCE-JKMUOGBPSA-N 0 0 140.182 1.143 10 0 ADAERN C[C@@H]1C(=O)CC2CC1C2 238472716 573663034 /nfs/dbraw/zinc/66/30/34/573663034.db2.gz LPSJQXYLBDRJNA-VTSJMVTISA-N 0 0 124.183 1.622 10 0 ADAERN CCCO[C@H]1CCC(C)(C)[C@H]1O 86866642 573663040 /nfs/dbraw/zinc/66/30/40/573663040.db2.gz IDQMANIKACQMFN-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1sc(CO)nc1[C@@H]1CCCO1 257842549 573663041 /nfs/dbraw/zinc/66/30/41/573663041.db2.gz CDEZASDXOKISEQ-ZETCQYMHSA-N 0 0 199.275 1.795 10 0 ADAERN CC(=O)c1ccnn1[C@H]1CCCOC1 257842842 573663044 /nfs/dbraw/zinc/66/30/44/573663044.db2.gz MUTCIGQQZFVIKU-VIFPVBQESA-N 0 0 194.234 1.437 10 0 ADAERN O=Cc1cc(O)ccc1C1(O)CC1 258084517 573663049 /nfs/dbraw/zinc/66/30/49/573663049.db2.gz WCNWBNIFUVKRRI-UHFFFAOYSA-N 0 0 178.187 1.186 10 0 ADAERN CC1(C)CC[C@@H](n2cccn2)[C@@H]1O 86866471 573663050 /nfs/dbraw/zinc/66/30/50/573663050.db2.gz ROZMFUWURQZWOW-BDAKNGLRSA-N 0 0 180.251 1.605 10 0 ADAERN CO[C@H]1CCC(C)(C)[C@@H]1O 86866542 573663063 /nfs/dbraw/zinc/66/30/63/573663063.db2.gz DUWRNXKUGVRLSH-NKWVEPMBSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1cc(N)c2c(c1)C(=O)CO2 238472441 573663073 /nfs/dbraw/zinc/66/30/73/573663073.db2.gz ZGCXCOOUUOVWIY-UHFFFAOYSA-N 0 0 163.176 1.152 10 0 ADAERN C[C@@H](O)[C@H]1CCc2c(O)cccc2C1 238472860 573663101 /nfs/dbraw/zinc/66/31/01/573663101.db2.gz XPWKRUGXDLCKFM-BDAKNGLRSA-N 0 0 192.258 1.878 10 0 ADAERN COC(=O)N(C)c1ccc[nH]1 258855885 573663147 /nfs/dbraw/zinc/66/31/47/573663147.db2.gz UYUMJVISPXGLRS-UHFFFAOYSA-N 0 0 154.169 1.217 10 0 ADAERN O=Cc1ccc(F)cc1CNO 258084502 573663184 /nfs/dbraw/zinc/66/31/84/573663184.db2.gz WBGXLPKQEXTCFW-UHFFFAOYSA-N 0 0 169.155 1.117 10 0 ADAERN Nc1cccn2c3c(nc12)CCCC3 107828728 573663187 /nfs/dbraw/zinc/66/31/87/573663187.db2.gz LJPOZLAKGKZOKX-UHFFFAOYSA-N 0 0 187.246 1.795 10 0 ADAERN Cc1cccc2nc3n(c12)C[C@H](O)C3 259545675 573663294 /nfs/dbraw/zinc/66/32/94/573663294.db2.gz CBTMGCKJGCHRCI-MRVPVSSYSA-N 0 0 188.230 1.262 10 0 ADAERN C[C@H](C[NH2+]C1CCC1)CC(=O)[O-] 258863162 573663302 /nfs/dbraw/zinc/66/33/02/573663302.db2.gz KEGQUPRCKWYRMS-ZETCQYMHSA-N 0 0 171.240 1.239 10 0 ADAERN C=C=C[C@@H](O)CCCC 144611324 573663316 /nfs/dbraw/zinc/66/33/16/573663316.db2.gz BWNZFXIKXMGQHF-MRVPVSSYSA-N 0 0 126.199 1.879 10 0 ADAERN C=CS(=O)(=O)c1nc(C)cnc1C 83813090 573663323 /nfs/dbraw/zinc/66/33/23/573663323.db2.gz GOWQOGZDSUOPHB-UHFFFAOYSA-N 0 0 198.247 1.011 10 0 ADAERN C[C@@H](O)c1cccc2c1COC2 258084471 573663333 /nfs/dbraw/zinc/66/33/33/573663333.db2.gz WAMMUGORGFOANM-SSDOTTSWSA-N 0 0 164.204 1.770 10 0 ADAERN Cc1ccccc1N(C)C(=O)CCO 258859428 573663426 /nfs/dbraw/zinc/66/34/26/573663426.db2.gz OGJGYPMVTDSDHQ-UHFFFAOYSA-N 0 0 193.246 1.340 10 0 ADAERN C[C@H](O)C(=O)N(C)c1ccccc1F 258863454 573663442 /nfs/dbraw/zinc/66/34/42/573663442.db2.gz QZCRGDGZEMJMDZ-ZETCQYMHSA-N 0 0 197.209 1.169 10 0 ADAERN C[C@H](O)c1cccc2c1COC2 258084473 573663451 /nfs/dbraw/zinc/66/34/51/573663451.db2.gz WAMMUGORGFOANM-ZETCQYMHSA-N 0 0 164.204 1.770 10 0 ADAERN Nc1nc(C=O)c2cc(F)ccc2n1 257843940 573663452 /nfs/dbraw/zinc/66/34/52/573663452.db2.gz NCFLKYGORXYXCU-UHFFFAOYSA-N 0 0 191.165 1.164 10 0 ADAERN Cc1ccc(CO)c2nsnc12 238472961 573663491 /nfs/dbraw/zinc/66/34/91/573663491.db2.gz AIMQRQDDAFTDFB-UHFFFAOYSA-N 0 0 180.232 1.492 10 0 ADAERN C[N@@H+]1CC[C@@H](CC(F)(F)C(=O)[O-])C1 257844405 573665101 /nfs/dbraw/zinc/66/51/01/573665101.db2.gz NDAADKFRBFYCHN-LURJTMIESA-N 0 0 193.193 1.048 10 0 ADAERN CC1(C)CCC[C@]12COC(=O)N2 86869959 573665105 /nfs/dbraw/zinc/66/51/05/573665105.db2.gz DJGPMNAHZNBFJM-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H](O)[C@@H]1CCCCCC(=O)S1 238474511 573665112 /nfs/dbraw/zinc/66/51/12/573665112.db2.gz FJTDZNYVLPZDDZ-YUMQZZPRSA-N 0 0 188.292 1.960 10 0 ADAERN Cc1cc(C)n2c(C)c(C)nc2n1 107876509 573665116 /nfs/dbraw/zinc/66/51/16/573665116.db2.gz ZBFPIQBOAAGTND-UHFFFAOYSA-N 0 0 175.235 1.963 10 0 ADAERN CC1(C)CCC[C@@H]1[NH+]1CC(C(=O)[O-])C1 86869827 573665123 /nfs/dbraw/zinc/66/51/23/573665123.db2.gz GRYREBODFKYVGR-VIFPVBQESA-N 0 0 197.278 1.582 10 0 ADAERN O=Cc1ccnc(N2CCC2)c1 259546153 573665124 /nfs/dbraw/zinc/66/51/24/573665124.db2.gz CFHJGLNOPHCMGJ-UHFFFAOYSA-N 0 0 162.192 1.104 10 0 ADAERN C[C@@]12O[C@@H]1C(=O)[C@@H]1[C@@H]3C=C[C@@H](C3)[C@@H]12 238475130 573665142 /nfs/dbraw/zinc/66/51/42/573665142.db2.gz QKLIETRFYGLWFY-VVFWKQLBSA-N 0 0 176.215 1.165 10 0 ADAERN C[C@H]1CCSCCC1=O 238474980 573665149 /nfs/dbraw/zinc/66/51/49/573665149.db2.gz FTHHJVCTFCHTTR-LURJTMIESA-N 0 0 144.239 1.719 10 0 ADAERN CC[NH2+]Cc1ccc(C)c(C(=O)[O-])c1 258084594 573665152 /nfs/dbraw/zinc/66/51/52/573665152.db2.gz IQNXZGMQXMXZJZ-UHFFFAOYSA-N 0 0 193.246 1.803 10 0 ADAERN C[C@H]1CCC(=O)C[C@H]1CCO 238474568 573665162 /nfs/dbraw/zinc/66/51/62/573665162.db2.gz JZFQMSKIZREECB-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@]1(CCCO)OCCCS1 238475347 573665175 /nfs/dbraw/zinc/66/51/75/573665175.db2.gz AEHXHRSTKTXEKB-QMMMGPOBSA-N 0 0 176.281 1.629 10 0 ADAERN COC(=O)[C@H](C(C)C)n1ccnc1C 259546564 573665177 /nfs/dbraw/zinc/66/51/77/573665177.db2.gz BGWAXSDHSHAGKG-VIFPVBQESA-N 0 0 196.250 1.562 10 0 ADAERN CCn1nc2c(c1N)C(C)(C)CC2 86870351 573665182 /nfs/dbraw/zinc/66/51/82/573665182.db2.gz ZUSKXXUPMDCSGD-UHFFFAOYSA-N 0 0 179.267 1.709 10 0 ADAERN Cc1ccccc1-c1n[nH]nc1CO 258861536 573665184 /nfs/dbraw/zinc/66/51/84/573665184.db2.gz SWJCMEXAIWCRIO-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN Nc1cnc2c(cnn2C2CCC2)c1 259545850 573665196 /nfs/dbraw/zinc/66/51/96/573665196.db2.gz CCSCMCAJXUFELA-UHFFFAOYSA-N 0 0 188.234 1.739 10 0 ADAERN C[C@@H]1CC(=O)[C@H]2O[C@@]2(C)C1 238475340 573665202 /nfs/dbraw/zinc/66/52/02/573665202.db2.gz ILGKZCPUVQJRIY-NJUXHZRNSA-N 0 0 140.182 1.143 10 0 ADAERN COCCc1cccc([C@H](C)O)c1 259547873 573665213 /nfs/dbraw/zinc/66/52/13/573665213.db2.gz VQBIWUXCSBHOBV-VIFPVBQESA-N 0 0 180.247 1.929 10 0 ADAERN C[C@H]1C[C@H]2CC(=O)[C@@]2(C)O1 238475015 573665222 /nfs/dbraw/zinc/66/52/22/573665222.db2.gz OPHZOQZOIUNSCE-HAFWLYHUSA-N 0 0 140.182 1.143 10 0 ADAERN CN(c1ccc[nH]1)C(C)(C)CO 258859620 573665229 /nfs/dbraw/zinc/66/52/29/573665229.db2.gz OHUNTIOLODXCEA-UHFFFAOYSA-N 0 0 168.240 1.222 10 0 ADAERN C=COCCOC(=O)[C@H](CC)OC 393546567 573665238 /nfs/dbraw/zinc/66/52/38/573665238.db2.gz IDQOUEVSTXJANL-QMMMGPOBSA-N 0 0 188.223 1.115 10 0 ADAERN Cc1ccnc2c(F)cnn12 238475159 573665241 /nfs/dbraw/zinc/66/52/41/573665241.db2.gz JXIQSLYMKCXLSK-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN CC1(C)CCC[C@H]1[NH+]1CC(C(=O)[O-])C1 86869829 573665260 /nfs/dbraw/zinc/66/52/60/573665260.db2.gz GRYREBODFKYVGR-SECBINFHSA-N 0 0 197.278 1.582 10 0 ADAERN Cn1nc2c(c1N)C(C)(C)CC2 86870337 573665265 /nfs/dbraw/zinc/66/52/65/573665265.db2.gz YUYDYBFLMJLJCE-UHFFFAOYSA-N 0 0 165.240 1.226 10 0 ADAERN Cc1ccnc2[nH]cc(CCO)c12 238474451 573665267 /nfs/dbraw/zinc/66/52/67/573665267.db2.gz ZFEKLPYUJYHSKR-UHFFFAOYSA-N 0 0 176.219 1.406 10 0 ADAERN COc1ccc(C(C)(C)CO)cc1O 257844504 573665300 /nfs/dbraw/zinc/66/53/00/573665300.db2.gz PJFRBNJBICRICV-UHFFFAOYSA-N 0 0 196.246 1.671 10 0 ADAERN CC(C)[C@H](NCC1CC1)c1ncon1 308665050 573665360 /nfs/dbraw/zinc/66/53/60/573665360.db2.gz RYTNVAZOYJSRBZ-VIFPVBQESA-N 0 0 195.266 1.766 10 0 ADAERN OCC1(c2ccc(O)cc2)CC(F)C1 257843926 573665366 /nfs/dbraw/zinc/66/53/66/573665366.db2.gz NBDMRELUCOQNRB-UHFFFAOYSA-N 0 0 196.221 1.754 10 0 ADAERN CC1(C)CCC[C@@]12CC(=O)N2 86869669 573665376 /nfs/dbraw/zinc/66/53/76/573665376.db2.gz OUDBFGTZPUILRL-SECBINFHSA-N 0 0 153.225 1.455 10 0 ADAERN C[N@@H+]1CC[C@H](CC(F)(F)C(=O)[O-])C1 257844406 573665391 /nfs/dbraw/zinc/66/53/91/573665391.db2.gz NDAADKFRBFYCHN-ZCFIWIBFSA-N 0 0 193.193 1.048 10 0 ADAERN COC(=O)[C@@H]1CCOc2scnc21 259546545 573665423 /nfs/dbraw/zinc/66/54/23/573665423.db2.gz BGLXBYKIPPVACN-RXMQYKEDSA-N 0 0 199.231 1.182 10 0 ADAERN CC(C)OCC(C)(C)CCO 259617077 573665437 /nfs/dbraw/zinc/66/54/37/573665437.db2.gz DXTUJJNGITUHOI-UHFFFAOYSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@@]1([C@@H]2CCCSC2)CCC(=O)N1 257844655 573665443 /nfs/dbraw/zinc/66/54/43/573665443.db2.gz LEUHWIGNGDJYAX-SCZZXKLOSA-N 0 0 199.319 1.798 10 0 ADAERN CC[C@H](C)C(=O)CCC(=O)OC 43368620 573665466 /nfs/dbraw/zinc/66/54/66/573665466.db2.gz ZVUHWOWDPNLVST-ZETCQYMHSA-N 0 0 172.224 1.555 10 0 ADAERN c1cn2c3c(nc2s1)CCC3 107875988 573665471 /nfs/dbraw/zinc/66/54/71/573665471.db2.gz IHPJOQAJODJGTN-UHFFFAOYSA-N 0 0 164.233 1.885 10 0 ADAERN CN(CO)c1c[nH]c2ccccc12 258863008 573665489 /nfs/dbraw/zinc/66/54/89/573665489.db2.gz FPIBHOLBFNTVND-UHFFFAOYSA-N 0 0 176.219 1.554 10 0 ADAERN CC(C)C[C@H]([NH3+])C1(C(=O)[O-])CC1 259546151 573665538 /nfs/dbraw/zinc/66/55/38/573665538.db2.gz CFDLXCAKNNBCTQ-ZETCQYMHSA-N 0 0 171.240 1.225 10 0 ADAERN CNc1nccc(SC)n1 83823544 573665553 /nfs/dbraw/zinc/66/55/53/573665553.db2.gz XCRKXUMAHXFBHL-UHFFFAOYSA-N 0 0 155.226 1.240 10 0 ADAERN C[C@H]1C[C@H]2OC(=O)N[C@H]2C[C@H]1C 238474283 573665554 /nfs/dbraw/zinc/66/55/54/573665554.db2.gz RPIOEPQWTXPCCN-VGRMVHKJSA-N 0 0 169.224 1.529 10 0 ADAERN CC(C)[C@@H](CO)C(=O)N(C)C1CCC1 258865366 573667049 /nfs/dbraw/zinc/66/70/49/573667049.db2.gz VYOQUXLWSJQPKT-SNVBAGLBSA-N 0 0 199.294 1.262 10 0 ADAERN Cc1cc(F)cc(CON)c1O 258084535 573665578 /nfs/dbraw/zinc/66/55/78/573665578.db2.gz WDAUKKDUZALBOO-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN CC(=O)C[C@@H]1CC[C@@H]2O[C@H]12 144620920 573665656 /nfs/dbraw/zinc/66/56/56/573665656.db2.gz NITSFWZMDUVHTB-BIIVOSGPSA-N 0 0 140.182 1.143 10 0 ADAERN c1ccc(NC[C@H]2CCOCO2)cc1 83824051 573665662 /nfs/dbraw/zinc/66/56/62/573665662.db2.gz KVEWDDDTQSHVAO-LLVKDONJSA-N 0 0 193.246 1.862 10 0 ADAERN COC(C)(C)c1ccccc1CON 259545300 573665665 /nfs/dbraw/zinc/66/56/65/573665665.db2.gz VKCIZQOENUFPRL-UHFFFAOYSA-N 0 0 195.262 1.958 10 0 ADAERN Clc1cnnc([C@@H]2CCCO2)c1 259545264 573665684 /nfs/dbraw/zinc/66/56/84/573665684.db2.gz VIWZTMLMVNXING-QMMMGPOBSA-N 0 0 184.626 1.982 10 0 ADAERN CCCOCc1nncn1CC(C)C 233234000 573665702 /nfs/dbraw/zinc/66/57/02/573665702.db2.gz QRWXRXZVIDDMJX-UHFFFAOYSA-N 0 0 197.282 1.861 10 0 ADAERN CC(=O)CCN(C)c1cc[nH]c1 258855641 573665704 /nfs/dbraw/zinc/66/57/04/573665704.db2.gz DXZZMWFHLYAYCG-UHFFFAOYSA-N 0 0 166.224 1.430 10 0 ADAERN Cc1cccc(CC(N)=S)n1 83824442 573665708 /nfs/dbraw/zinc/66/57/08/573665708.db2.gz DXVDPTFHUGMQIR-UHFFFAOYSA-N 0 0 166.249 1.219 10 0 ADAERN O[C@@H](Cc1ccco1)C[C@H]1CCCO1 130713908 573665725 /nfs/dbraw/zinc/66/57/25/573665725.db2.gz JHVYMRHSGOFQAR-GXSJLCMTSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@]1(CCCO)CCC[C@H]1O 238475252 573665745 /nfs/dbraw/zinc/66/57/45/573665745.db2.gz SIOSQWRANFCVIW-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1ccc(CO)n2nccc12 238474345 573665753 /nfs/dbraw/zinc/66/57/53/573665753.db2.gz QUXVBXPGAIUZAP-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN C[C@]1(CCCO)CCC=C[C@H]1O 238475155 573665761 /nfs/dbraw/zinc/66/57/61/573665761.db2.gz RIWXCXBMOGRHSW-NXEZZACHSA-N 0 0 170.252 1.476 10 0 ADAERN C[C@@H]1CC(=O)[C@H]2CC=CC[C@@H]2C1=O 238475147 573665774 /nfs/dbraw/zinc/66/57/74/573665774.db2.gz ALEDMEZJYHFSAM-VGMNWLOBSA-N 0 0 178.231 1.747 10 0 ADAERN Nc1cncnc1NCc1ccco1 83824148 573667524 /nfs/dbraw/zinc/66/75/24/573667524.db2.gz PKVZLUZUNLNDLS-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN COC1(c2cccc(CON)c2)CC1 259547826 573667525 /nfs/dbraw/zinc/66/75/25/573667525.db2.gz VPNNJKSRYYNUHO-UHFFFAOYSA-N 0 0 193.246 1.712 10 0 ADAERN Cc1ccccc1CCNC=O 83823639 573667531 /nfs/dbraw/zinc/66/75/31/573667531.db2.gz PVJDDWLFCUPSLY-UHFFFAOYSA-N 0 0 163.220 1.284 10 0 ADAERN CC1(C)CCc2c1[nH]c(=S)[nH]c2=O 86869156 573667532 /nfs/dbraw/zinc/66/75/32/573667532.db2.gz WNDBBAZZAXVRLI-UHFFFAOYSA-N 0 0 196.275 1.656 10 0 ADAERN CCCOCc1nncn1C(C)C 233233985 573667558 /nfs/dbraw/zinc/66/75/58/573667558.db2.gz RQLDRDQIZXTWMN-UHFFFAOYSA-N 0 0 183.255 1.786 10 0 ADAERN C[C@@H](O)[C@]1(C(C)(C)C)CO1 238475399 573667574 /nfs/dbraw/zinc/66/75/74/573667574.db2.gz ABUJPVUZAOWZBQ-SVRRBLITSA-N 0 0 144.214 1.182 10 0 ADAERN CCOC(=O)c1cc2n[nH]cc2n1C 259617131 573667593 /nfs/dbraw/zinc/66/75/93/573667593.db2.gz NFDNDYLGUZVBAV-UHFFFAOYSA-N 0 0 193.206 1.078 10 0 ADAERN CCCOc1cc(C)nc(N)n1 83824647 573667615 /nfs/dbraw/zinc/66/76/15/573667615.db2.gz IMPJOXXTMHWYDM-UHFFFAOYSA-N 0 0 167.212 1.156 10 0 ADAERN Cc1nccc([C@@H](O)C2CC2)n1 124839052 573667619 /nfs/dbraw/zinc/66/76/19/573667619.db2.gz XECVICHNBUMQEU-VIFPVBQESA-N 0 0 164.208 1.228 10 0 ADAERN C[C@@H](C[NH2+]Cc1ccc[nH]1)CC(=O)[O-] 258857462 573667631 /nfs/dbraw/zinc/66/76/31/573667631.db2.gz JOLZFJBXOUZFLD-MRVPVSSYSA-N 0 0 196.250 1.215 10 0 ADAERN OCc1cc(C[C@@H]2CCCS2)on1 259154307 573667656 /nfs/dbraw/zinc/66/76/56/573667656.db2.gz IBFJWKLVKHUSSZ-VIFPVBQESA-N 0 0 199.275 1.605 10 0 ADAERN CCOC(=O)c1c2c(cn1C)CCC2 259545820 573667658 /nfs/dbraw/zinc/66/76/58/573667658.db2.gz GUCIFTDEBJNHJC-UHFFFAOYSA-N 0 0 193.246 1.691 10 0 ADAERN CONCc1cccc2ccncc12 258075685 573667665 /nfs/dbraw/zinc/66/76/65/573667665.db2.gz MPUVTBSKZQYXDS-UHFFFAOYSA-N 0 0 188.230 1.886 10 0 ADAERN Cc1ccccc1[C@@H](F)[C@@H]([NH3+])C(=O)[O-] 257846590 573667703 /nfs/dbraw/zinc/66/77/03/573667703.db2.gz NTQKVRRXLNPKLB-RKDXNWHRSA-N 0 0 197.209 1.418 10 0 ADAERN CCC(=O)C[C@@H](C)C(=O)OC 43368868 573675487 /nfs/dbraw/zinc/67/54/87/573675487.db2.gz GHXIKMWOQBSQSN-ZCFIWIBFSA-N 0 0 158.197 1.165 10 0 ADAERN C[NH+](C)[C@@]1(CC(=O)[O-])CCCC1(C)C 86869632 573667070 /nfs/dbraw/zinc/66/70/70/573667070.db2.gz DNSAKKYOSHZYHW-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CC(=O)[C@@H]2CC=CC[C@@H]2C1=O 238474680 573667107 /nfs/dbraw/zinc/66/71/07/573667107.db2.gz ALEDMEZJYHFSAM-HLTSFMKQSA-N 0 0 178.231 1.747 10 0 ADAERN CC1(C)CCC[C@@]12COC(N)=N2 86869954 573667113 /nfs/dbraw/zinc/66/71/13/573667113.db2.gz SPNUJVDHQHMZOQ-SECBINFHSA-N 0 0 168.240 1.280 10 0 ADAERN CCCCN(C)c1nnns1 258855461 573667132 /nfs/dbraw/zinc/66/71/32/573667132.db2.gz BRQQVLCORBPZKL-UHFFFAOYSA-N 0 0 172.257 1.169 10 0 ADAERN CC(F)(F)c1cc(CO)no1 144507318 573667145 /nfs/dbraw/zinc/66/71/45/573667145.db2.gz YSVDZXOPVMFSQB-UHFFFAOYSA-N 0 0 163.123 1.279 10 0 ADAERN Cc1ccccc1Cc1nnco1 238474929 573667166 /nfs/dbraw/zinc/66/71/66/573667166.db2.gz ZKCJEIDZSZGOPP-UHFFFAOYSA-N 0 0 174.203 1.969 10 0 ADAERN COCc1ccc(OC)cc1CNO 258075636 573667170 /nfs/dbraw/zinc/66/71/70/573667170.db2.gz MOFPPVXNTGBTEU-UHFFFAOYSA-N 0 0 197.234 1.320 10 0 ADAERN CSc1nc(N)cc(OC(C)C)n1 83824669 573667185 /nfs/dbraw/zinc/66/71/85/573667185.db2.gz MUXJVIQUXXGQAB-UHFFFAOYSA-N 0 0 199.279 1.568 10 0 ADAERN Cc1ccnc(NCc2c[nH]cn2)n1 83824181 573667192 /nfs/dbraw/zinc/66/71/92/573667192.db2.gz ATJOXLWVLAUWNI-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN C[C@@H]1C[C@H]2C(=O)CCCC[C@@H]2O1 238475081 573667199 /nfs/dbraw/zinc/66/71/99/573667199.db2.gz PWHILKVZUIQJFE-WEDXCCLWSA-N 0 0 168.236 1.923 10 0 ADAERN C[N@H+](C/C=C/C(=O)[O-])C(C)(C)C 258858087 573667202 /nfs/dbraw/zinc/66/72/02/573667202.db2.gz GTRDPIRMYKJOAZ-AATRIKPKSA-N 0 0 171.240 1.358 10 0 ADAERN C[C@H](Sc1ccsc1)C(N)=O 238474599 573667231 /nfs/dbraw/zinc/66/72/31/573667231.db2.gz LIDQJOMPUMSVHV-YFKPBYRVSA-N 0 0 187.289 1.714 10 0 ADAERN CC1(C)CCC[C@@]12C[NH2+]C[C@H]2C(=O)[O-] 86869215 573667233 /nfs/dbraw/zinc/66/72/33/573667233.db2.gz SMEFQPZLLRWXJL-KWQFWETISA-N 0 0 197.278 1.487 10 0 ADAERN COC[C@@H]1CNc2ccccc2O1 83824116 573667257 /nfs/dbraw/zinc/66/72/57/573667257.db2.gz XUWBSBXLUDJGEX-QMMMGPOBSA-N 0 0 179.219 1.506 10 0 ADAERN Cc1ccccc1[C@@H](F)[C@H]([NH3+])C(=O)[O-] 257846584 573667267 /nfs/dbraw/zinc/66/72/67/573667267.db2.gz NTQKVRRXLNPKLB-BDAKNGLRSA-N 0 0 197.209 1.418 10 0 ADAERN C[C@]1(C(=O)NC(N)=S)CC=CCC1 238474335 573667305 /nfs/dbraw/zinc/66/73/05/573667305.db2.gz SORJGXGAHNDEOY-VIFPVBQESA-N 0 0 198.291 1.093 10 0 ADAERN CC(=O)c1nc(Cc2ccco2)no1 258075867 573667332 /nfs/dbraw/zinc/66/73/32/573667332.db2.gz QPIXLNKHLPKTRE-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN COCC(C)(C)CN1CCC(=O)CC1 308661305 573667367 /nfs/dbraw/zinc/66/73/67/573667367.db2.gz PXIQTFJUNMJWBD-UHFFFAOYSA-N 0 0 199.294 1.324 10 0 ADAERN CN(CCC1CC1)c1nn(C)cc1N 308662513 573667468 /nfs/dbraw/zinc/66/74/68/573667468.db2.gz QVAUFFRHMGGLED-UHFFFAOYSA-N 0 0 194.282 1.239 10 0 ADAERN C[C@]1(CCCO)OCCS1 238475372 573667503 /nfs/dbraw/zinc/66/75/03/573667503.db2.gz QODQKEDSRDKRHL-ZETCQYMHSA-N 0 0 162.254 1.239 10 0 ADAERN C[C@H]1CCC(=O)C[C@@H]1CCO 238474225 573667765 /nfs/dbraw/zinc/66/77/65/573667765.db2.gz JZFQMSKIZREECB-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1ccnc(NCc2c[nH]cn2)c1 83824180 573667778 /nfs/dbraw/zinc/66/77/78/573667778.db2.gz HODINAABNQZWDI-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN COC(=O)[C@@](C)(CON)CC(C)C 257844438 573667782 /nfs/dbraw/zinc/66/77/82/573667782.db2.gz NFEDJHWBNKLFQP-SECBINFHSA-N 0 0 189.255 1.102 10 0 ADAERN COc1ccccc1C1NN=CC1=O 257843866 573667796 /nfs/dbraw/zinc/66/77/96/573667796.db2.gz MZBOBUUAIXMBAQ-UHFFFAOYSA-N 0 0 190.202 1.791 10 0 ADAERN CC[N@H+](C)CC1(C(=O)[O-])CCC1 258858099 573667806 /nfs/dbraw/zinc/66/78/06/573667806.db2.gz AHSGVMIXNRQFSV-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN COC(=O)Cc1[nH]c(C)cc1C1CC1 259545800 573667826 /nfs/dbraw/zinc/66/78/26/573667826.db2.gz GTPRNJMNERHABF-UHFFFAOYSA-N 0 0 193.246 1.916 10 0 ADAERN CC1(C)CCC[C@]12CC(=O)N2 86869671 573667837 /nfs/dbraw/zinc/66/78/37/573667837.db2.gz OUDBFGTZPUILRL-VIFPVBQESA-N 0 0 153.225 1.455 10 0 ADAERN COCN(C)c1ccc(F)cc1 259154249 573667846 /nfs/dbraw/zinc/66/78/46/573667846.db2.gz SMIBCNISHSFUOP-UHFFFAOYSA-N 0 0 169.199 1.866 10 0 ADAERN CC(=O)CC[C@@H]1OCC[C@@H]1C 238474488 573667852 /nfs/dbraw/zinc/66/78/52/573667852.db2.gz PECURIUBPZLSTH-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN CCOC(=O)c1cc(Cl)n(C)c1 259545841 573667854 /nfs/dbraw/zinc/66/78/54/573667854.db2.gz GURDAIPYOKKEFD-UHFFFAOYSA-N 0 0 187.626 1.855 10 0 ADAERN CC1CC(C(=O)[O-])(C2CC[NH2+]CC2)C1 257844341 573667860 /nfs/dbraw/zinc/66/78/60/573667860.db2.gz CPGAGBQNGLTPLY-UHFFFAOYSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@@H](O)[C@](F)(Cl)C(F)F 238475172 573667873 /nfs/dbraw/zinc/66/78/73/573667873.db2.gz ANPIRKJDWXIZGJ-VVJJHMBFSA-N 0 0 162.538 1.537 10 0 ADAERN CCOC(=O)[C@]1(O)CCCC1(C)C 86868166 573667878 /nfs/dbraw/zinc/66/78/78/573667878.db2.gz BCERUEMAYHQWER-SNVBAGLBSA-N 0 0 186.251 1.491 10 0 ADAERN CC1=NO[C@@H]2C(=O)C[C@H](C)C[C@@H]12 238475148 573667902 /nfs/dbraw/zinc/66/79/02/573667902.db2.gz IKBZEHDNIJKXKR-SHRPOTNHSA-N 0 0 167.208 1.376 10 0 ADAERN CCNc1nc(Cl)nnc1Cl 83823989 573667907 /nfs/dbraw/zinc/66/79/07/573667907.db2.gz DZTDKUJHGMFGLP-UHFFFAOYSA-N 0 0 193.037 1.610 10 0 ADAERN CC1(C)CCC[C@H]1[C@@H]1CC(=O)NC1=O 86869607 573667909 /nfs/dbraw/zinc/66/79/09/573667909.db2.gz CGUOJJOYEXEMMU-YUMQZZPRSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1CCc2c(CON)cccc2O1 258075614 573667912 /nfs/dbraw/zinc/66/79/12/573667912.db2.gz MNMDVGXEYQHJMK-MRVPVSSYSA-N 0 0 193.246 1.790 10 0 ADAERN COc1cccc2cnc([C@H](C)O)n12 257844410 573667913 /nfs/dbraw/zinc/66/79/13/573667913.db2.gz NDCDOZGZAPHPSP-ZETCQYMHSA-N 0 0 192.218 1.396 10 0 ADAERN CC[C@H](C)[C@H](O)c1ccnc(C)n1 124840009 573667919 /nfs/dbraw/zinc/66/79/19/573667919.db2.gz SAZPCJBYPPICNM-XVKPBYJWSA-N 0 0 180.251 1.865 10 0 ADAERN COC[C@H]1CCOc2cccc(O)c21 257843942 573667938 /nfs/dbraw/zinc/66/79/38/573667938.db2.gz NCGCBTNUBJXFCV-MRVPVSSYSA-N 0 0 194.230 1.905 10 0 ADAERN C[C@H](C[NH2+]Cc1ccc[nH]1)CC(=O)[O-] 258857463 573667942 /nfs/dbraw/zinc/66/79/42/573667942.db2.gz JOLZFJBXOUZFLD-QMMMGPOBSA-N 0 0 196.250 1.215 10 0 ADAERN CONCc1ccc2c(c1)OCS2 258075689 573667960 /nfs/dbraw/zinc/66/79/60/573667960.db2.gz MPYSDHMMCKDIAY-UHFFFAOYSA-N 0 0 197.259 1.780 10 0 ADAERN CC1(C)CCC[C@]12CNC(=O)C2 86870054 573667966 /nfs/dbraw/zinc/66/79/66/573667966.db2.gz XNLWJVGJPXJTQB-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN COC(=O)[C@@H](O)[C@@H]1CCCC1(C)C 86869549 573667983 /nfs/dbraw/zinc/66/79/83/573667983.db2.gz ZVRPAGIGGSQRKZ-YUMQZZPRSA-N 0 0 186.251 1.347 10 0 ADAERN CNCNc1cc(F)ccc1F 258861068 573668001 /nfs/dbraw/zinc/66/80/01/573668001.db2.gz KBEDQJORETXENM-UHFFFAOYSA-N 0 0 172.178 1.554 10 0 ADAERN CN(O)CC1CCC1 257844508 573668004 /nfs/dbraw/zinc/66/80/04/573668004.db2.gz PJUPCRGUXMNTPM-UHFFFAOYSA-N 0 0 115.176 1.108 10 0 ADAERN c1ccc(CON=C2CCCN2)cc1 83823920 573668011 /nfs/dbraw/zinc/66/80/11/573668011.db2.gz UEBGALYZEJKQLJ-UHFFFAOYSA-N 0 0 190.246 1.900 10 0 ADAERN Fc1cccc2c1N1CCN=C1CN2 259617136 573668035 /nfs/dbraw/zinc/66/80/35/573668035.db2.gz DYBHUCXVSNHTAN-UHFFFAOYSA-N 0 0 191.209 1.470 10 0 ADAERN COC(=O)CCC/C=C/C=C\CO 224468707 573668065 /nfs/dbraw/zinc/66/80/65/573668065.db2.gz SEMBRZCPKDJXFG-KQSAIEMLSA-N 0 0 184.235 1.434 10 0 ADAERN N#CNC(=O)c1c[nH]c2ccccc12 83824334 573668100 /nfs/dbraw/zinc/66/81/00/573668100.db2.gz JUBQOXGAZJRELC-UHFFFAOYSA-N 0 0 185.186 1.379 10 0 ADAERN C[C@@]1([C@H]2CCCSC2)CCC(=O)N1 257844657 573668105 /nfs/dbraw/zinc/66/81/05/573668105.db2.gz LEUHWIGNGDJYAX-WPRPVWTQSA-N 0 0 199.319 1.798 10 0 ADAERN CC1(C)CCCC[C@H]1NC=O 83823952 573668118 /nfs/dbraw/zinc/66/81/18/573668118.db2.gz CSKPLQKQYFQIAX-MRVPVSSYSA-N 0 0 155.241 1.701 10 0 ADAERN Nc1ccc(CO)c(C(F)(F)F)c1 83824820 573668124 /nfs/dbraw/zinc/66/81/24/573668124.db2.gz RGYALELXDXYCKX-UHFFFAOYSA-N 0 0 191.152 1.780 10 0 ADAERN O=C1CN[C@@H](c2ccc(F)cc2)C1 258862955 573668156 /nfs/dbraw/zinc/66/81/56/573668156.db2.gz LIVGDWVZIXDKJL-SNVBAGLBSA-N 0 0 179.194 1.429 10 0 ADAERN Cc1nccc([C@H](O)C2CC2)n1 124838852 573668260 /nfs/dbraw/zinc/66/82/60/573668260.db2.gz XECVICHNBUMQEU-SECBINFHSA-N 0 0 164.208 1.228 10 0 ADAERN Cc1ccc([C@@](C)(O)[C@@H](C)O)cc1 238474943 573668290 /nfs/dbraw/zinc/66/82/90/573668290.db2.gz VMLNUAKEYBHLNQ-KOLCDFICSA-N 0 0 180.247 1.583 10 0 ADAERN CC1(C)CCCC[C@@H]1NC=O 83823951 573668323 /nfs/dbraw/zinc/66/83/23/573668323.db2.gz CSKPLQKQYFQIAX-QMMMGPOBSA-N 0 0 155.241 1.701 10 0 ADAERN CONCc1ccc(F)cc1C=O 258075684 573668324 /nfs/dbraw/zinc/66/83/24/573668324.db2.gz MPTWZNIKPAIEKB-UHFFFAOYSA-N 0 0 183.182 1.289 10 0 ADAERN CC[C@H](C)[C@@H](O)c1ccnc(C)n1 124840447 573668326 /nfs/dbraw/zinc/66/83/26/573668326.db2.gz SAZPCJBYPPICNM-OIBJUYFYSA-N 0 0 180.251 1.865 10 0 ADAERN Nc1n[nH]nc1-c1cccc(Cl)c1 257844455 573668338 /nfs/dbraw/zinc/66/83/38/573668338.db2.gz NFYITXHYWGQZSY-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN C[C@@H](O)[C@](C)(F)C(C)(F)F 238474431 573668368 /nfs/dbraw/zinc/66/83/68/573668368.db2.gz MNPJXNLNCKVDPO-UHNVWZDZSA-N 0 0 156.147 1.751 10 0 ADAERN C[C@]1(c2ncc(C=O)o2)CCOC1 259546127 573668378 /nfs/dbraw/zinc/66/83/78/573668378.db2.gz CEQZPQQKHSYSJY-VIFPVBQESA-N 0 0 181.191 1.165 10 0 ADAERN Nc1oncc1-c1ccc(O)cc1F 258075692 573668387 /nfs/dbraw/zinc/66/83/87/573668387.db2.gz MQGXPEAIRGURQN-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN COC(=O)[C@H]1CCSC[C@@H]1F 259546257 573668390 /nfs/dbraw/zinc/66/83/90/573668390.db2.gz BPSSEMSBBSMMBF-WDSKDSINSA-N 0 0 178.228 1.251 10 0 ADAERN Cc1cn(C)c(-c2cccc(N)c2)n1 107852899 573668393 /nfs/dbraw/zinc/66/83/93/573668393.db2.gz QSHBFXFXASZIDW-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1ccc(C)n1Cc1ccn(C)n1 124846932 573668470 /nfs/dbraw/zinc/66/84/70/573668470.db2.gz KSCWCTBWFDWKLM-UHFFFAOYSA-N 0 0 189.262 1.887 10 0 ADAERN O=Cc1ccnn1-c1cccc(O)c1 257843924 573668475 /nfs/dbraw/zinc/66/84/75/573668475.db2.gz NASATHZFTXDHQO-UHFFFAOYSA-N 0 0 188.186 1.390 10 0 ADAERN CC(C)c1cnn(C)c1CO 257843769 573668482 /nfs/dbraw/zinc/66/84/82/573668482.db2.gz PDKSPGSLHWPCTA-UHFFFAOYSA-N 0 0 154.213 1.036 10 0 ADAERN CN(CO)c1cc(F)ccc1F 258857745 573668497 /nfs/dbraw/zinc/66/84/97/573668497.db2.gz FGQXAXGBBYQRKA-UHFFFAOYSA-N 0 0 173.162 1.351 10 0 ADAERN C[C@@]1(c2ncc(C=O)o2)CCOC1 259546123 573668536 /nfs/dbraw/zinc/66/85/36/573668536.db2.gz CEQZPQQKHSYSJY-SECBINFHSA-N 0 0 181.191 1.165 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCCC1(C)C 86869896 573668541 /nfs/dbraw/zinc/66/85/41/573668541.db2.gz UWUHBTYIIAOYRU-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN COc1cc(C)c(O)cc1N(C)C 144561737 573668545 /nfs/dbraw/zinc/66/85/45/573668545.db2.gz FEBHHGLMJNYVCL-UHFFFAOYSA-N 0 0 181.235 1.775 10 0 ADAERN C[C@@H]1NC(=O)CNc2ccccc21 238474577 573668546 /nfs/dbraw/zinc/66/85/46/573668546.db2.gz QCHNSSJWIJEULP-ZETCQYMHSA-N 0 0 176.219 1.289 10 0 ADAERN OCCCCNc1ccsc1 83824398 573668547 /nfs/dbraw/zinc/66/85/47/573668547.db2.gz GKJQHCOLLZEHRG-UHFFFAOYSA-N 0 0 171.265 1.933 10 0 ADAERN CC(C)[C@@H](CO)CNc1ccc[nH]1 258868420 573675501 /nfs/dbraw/zinc/67/55/01/573675501.db2.gz BBIGBEVQYHLTLV-SECBINFHSA-N 0 0 182.267 1.691 10 0 ADAERN C[C@H]1CCCc2sc(=O)[nH]c21 238468233 573675511 /nfs/dbraw/zinc/67/55/11/573675511.db2.gz BBFVHCDZNBNZNY-YFKPBYRVSA-N 0 0 169.249 1.876 10 0 ADAERN CO/C=C\[C@@H]1CCCC[C@H]1NC(C)=O 308415021 573675522 /nfs/dbraw/zinc/67/55/22/573675522.db2.gz JQWLZIUAOOZFTJ-MYEMAUTDSA-N 0 0 197.278 1.841 10 0 ADAERN CCC/C=C/COC(=O)[C@@H](C)OC 308414919 573675531 /nfs/dbraw/zinc/67/55/31/573675531.db2.gz QDLGFSXOKXXXNA-XCODYQFDSA-N 0 0 186.251 1.921 10 0 ADAERN Cc1c(Cl)ccc2nc[nH]c(=O)c12 238468170 573675539 /nfs/dbraw/zinc/67/55/39/573675539.db2.gz PDMQJWUCFDZHFA-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN CC[C@@H]1C[C@@H]1CN=[S@@](C)(N)=O 404865686 573675553 /nfs/dbraw/zinc/67/55/53/573675553.db2.gz ZRCNABQEQBGEGI-OPVBNTEQSA-N 0 0 176.285 1.004 10 0 ADAERN C[C@H]1CCCc2cn(C(N)=O)nc21 238468046 573675565 /nfs/dbraw/zinc/67/55/65/573675565.db2.gz SGSHYUPCAKXEPT-LURJTMIESA-N 0 0 179.223 1.250 10 0 ADAERN CCCCC(=O)C[C@@H](C)C(=O)OC 43369030 573675569 /nfs/dbraw/zinc/67/55/69/573675569.db2.gz XIEDHCTVANSZHW-MRVPVSSYSA-N 0 0 186.251 1.945 10 0 ADAERN CC[C@H](C[NH2+]Cc1cc[nH]c1)C(=O)[O-] 258869471 573676177 /nfs/dbraw/zinc/67/61/77/573676177.db2.gz BFMJLENHYCQWRN-SECBINFHSA-N 0 0 196.250 1.215 10 0 ADAERN CC[C@H](C)C(=O)[C@H](C)CC(=O)OC 43368831 573676186 /nfs/dbraw/zinc/67/61/86/573676186.db2.gz LPXVITGUAQBDQT-JGVFFNPUSA-N 0 0 186.251 1.801 10 0 ADAERN Nc1cc(-c2cccc3[nH]cnc23)[nH]n1 258079277 573675625 /nfs/dbraw/zinc/67/56/25/573675625.db2.gz IRVWIMJTHRPCML-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN CC[C@@H](C)NC(=O)[C@@H](CO)C(C)C 258873146 573675644 /nfs/dbraw/zinc/67/56/44/573675644.db2.gz ZUOHWHXFJPFQBW-BDAKNGLRSA-N 0 0 187.283 1.166 10 0 ADAERN O=C(CC1CCC1)[C@H]1CCOC1 83840297 573675646 /nfs/dbraw/zinc/67/56/46/573675646.db2.gz GNUTUWVRGDFMMF-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN C[C@H]1NC(=O)O[C@@H]1c1cccc(O)c1 238467760 573675648 /nfs/dbraw/zinc/67/56/48/573675648.db2.gz XBSXAEMAKPPAOM-MUWHJKNJSA-N 0 0 193.202 1.562 10 0 ADAERN ONCc1ccc(CF)cc1 258076633 573675673 /nfs/dbraw/zinc/67/56/73/573675673.db2.gz VCQKFKQOAQQGLD-UHFFFAOYSA-N 0 0 155.172 1.635 10 0 ADAERN Cc1nn(C(N)=O)c2c1[C@@H](C)CCC2 238467706 573675678 /nfs/dbraw/zinc/67/56/78/573675678.db2.gz KAMOJNJFQFXVGS-LURJTMIESA-N 0 0 193.250 1.558 10 0 ADAERN COc1cc(O)c(CCON)cc1C 258078088 573675679 /nfs/dbraw/zinc/67/56/79/573675679.db2.gz MTHRGMGSTCBROB-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN CCCOCCOC(=O)C=C(C)C 308413679 573675684 /nfs/dbraw/zinc/67/56/84/573675684.db2.gz MLUWAFIPAMKVQI-UHFFFAOYSA-N 0 0 186.251 1.922 10 0 ADAERN CN1CCNc2cccc(CO)c21 259155078 573675691 /nfs/dbraw/zinc/67/56/91/573675691.db2.gz IDJDYWVQKXGGGS-UHFFFAOYSA-N 0 0 178.235 1.041 10 0 ADAERN O=c1[nH][nH]cc1-c1cccs1 258870089 573675696 /nfs/dbraw/zinc/67/56/96/573675696.db2.gz RXYQSPVQJPJMBE-UHFFFAOYSA-N 0 0 166.205 1.844 10 0 ADAERN COC(=O)C[C@@H](C)C(=O)CC(C)C 43368821 573675710 /nfs/dbraw/zinc/67/57/10/573675710.db2.gz RJTQBZLBIJZQNF-MRVPVSSYSA-N 0 0 186.251 1.801 10 0 ADAERN C[C@H]1CC=C(Br)C(=O)N1 238467895 573675751 /nfs/dbraw/zinc/67/57/51/573675751.db2.gz QPPPOQPCAAMEHS-BYPYZUCNSA-N 0 0 190.040 1.174 10 0 ADAERN CCOC(=O)CN1[C@H](C)CC1(C)C 308412900 573675754 /nfs/dbraw/zinc/67/57/54/573675754.db2.gz MEMLZIUUGNBZLN-MRVPVSSYSA-N 0 0 185.267 1.422 10 0 ADAERN CCCN1CC(=O)CC1(C)C 258867745 573675759 /nfs/dbraw/zinc/67/57/59/573675759.db2.gz RUMBFZOMEGOYRF-UHFFFAOYSA-N 0 0 155.241 1.450 10 0 ADAERN COC(=O)C[C@H](C)C(=O)C(C)(C)C 43368675 573675769 /nfs/dbraw/zinc/67/57/69/573675769.db2.gz UJUUQVHCMVDHSA-ZETCQYMHSA-N 0 0 186.251 1.801 10 0 ADAERN Nc1[nH][nH]c(=O)c1C1CCCC1 258873100 573675797 /nfs/dbraw/zinc/67/57/97/573675797.db2.gz SDNBASNMQFVROB-UHFFFAOYSA-N 0 0 167.212 1.355 10 0 ADAERN C[C@@](O)(CO)C1([Si](C)(C)C)CC1 238467802 573675810 /nfs/dbraw/zinc/67/58/10/573675810.db2.gz RDOUDITVPULHIA-MRVPVSSYSA-N 0 0 188.343 1.602 10 0 ADAERN C[C@]1(c2ccccc2)CC(=O)O[C@@H]1O 238467665 573675816 /nfs/dbraw/zinc/67/58/16/573675816.db2.gz QJBWRFWLOQGOAW-WDEREUQCSA-N 0 0 192.214 1.210 10 0 ADAERN CCC(CC)[C@@H](O)CCC(=O)OC 43372999 573675841 /nfs/dbraw/zinc/67/58/41/573675841.db2.gz BXMSFKCRWDCVNJ-VIFPVBQESA-N 0 0 188.267 1.737 10 0 ADAERN CCCC[C@H](O)[C@@H](C)CC(=O)OC 43370384 573675855 /nfs/dbraw/zinc/67/58/55/573675855.db2.gz RLCYNEJKQUWMPH-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN CCCC[C@H](O)C[C@@H](C)C(=O)OC 43371786 573675884 /nfs/dbraw/zinc/67/58/84/573675884.db2.gz MEKOIAPGOBOXGF-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)CN1[C@@H](C)CC1(C)C 308412901 573675889 /nfs/dbraw/zinc/67/58/89/573675889.db2.gz MEMLZIUUGNBZLN-QMMMGPOBSA-N 0 0 185.267 1.422 10 0 ADAERN C[C@@H]1C[C@]2(C)CCC(=O)[C@@]1(C)O2 238467587 573675890 /nfs/dbraw/zinc/67/58/90/573675890.db2.gz MZPVDCGZIBGOEF-JEZHCXPESA-N 0 0 168.236 1.923 10 0 ADAERN CCCOC(=O)CCC(=O)C1CC1 43369203 573675896 /nfs/dbraw/zinc/67/58/96/573675896.db2.gz RXMPOTZBJQTSDU-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CC[C@H](C)[C@H](O)CCC(=O)OC 43373185 573675909 /nfs/dbraw/zinc/67/59/09/573675909.db2.gz UNXPSGSNUBUXLQ-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN CCO[C@@H]1C[C@@H]1c1nc(C)c(CO)o1 690050948 573675917 /nfs/dbraw/zinc/67/59/17/573675917.db2.gz GFLFLHSVKPFCIC-JGVFFNPUSA-N 0 0 197.234 1.368 10 0 ADAERN COC[C@H](O)CC1CCC1 83840665 573675920 /nfs/dbraw/zinc/67/59/20/573675920.db2.gz VXEJFPDVRINTDJ-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN CC(=O)[C@H]1CCCC[C@@H]1[C@@H](C)O 238467967 573675923 /nfs/dbraw/zinc/67/59/23/573675923.db2.gz YPCIBUXUXQAHMS-SZEHBUNVSA-N 0 0 170.252 1.763 10 0 ADAERN CC(=O)O[C@H]1C(=O)CC(C)(C)C[C@H]1C 214760122 573675924 /nfs/dbraw/zinc/67/59/24/573675924.db2.gz WQOLNJNUEKCPCV-GMSGAONNSA-N 0 0 198.262 1.943 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](C/C=C\C(=O)[O-])C1 258076208 573675958 /nfs/dbraw/zinc/67/59/58/573675958.db2.gz FPAYPRTYLIMOOB-ATPLWMGHSA-N 0 0 197.278 1.748 10 0 ADAERN COC[C@@H](O)CC1CCC1 83840668 573675960 /nfs/dbraw/zinc/67/59/60/573675960.db2.gz VXEJFPDVRINTDJ-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)Cc1nc2c([nH]1)C[C@@H](O)CC2 258078973 573675971 /nfs/dbraw/zinc/67/59/71/573675971.db2.gz SZQBLITUSTWRSG-QMMMGPOBSA-N 0 0 194.278 1.458 10 0 ADAERN CCOC[C@H](O)[C@H]1CC[C@@H](C)C1 224469232 573675994 /nfs/dbraw/zinc/67/59/94/573675994.db2.gz RLDUVHVLBOLWKE-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN COc1ccc(CN(C)CO)cc1C 258866786 573676000 /nfs/dbraw/zinc/67/60/00/573676000.db2.gz GFVXATRKOGZFFE-UHFFFAOYSA-N 0 0 195.262 1.385 10 0 ADAERN C/C(=C/[C@@H]1CCCOC1)[N+](=O)[O-] 215579949 573676015 /nfs/dbraw/zinc/67/60/15/573676015.db2.gz ORQNBGXAWSWRPV-TVSKSKRASA-N 0 0 171.196 1.594 10 0 ADAERN Cc1cc(CCON)c(F)cc1O 258078149 573676021 /nfs/dbraw/zinc/67/60/21/573676021.db2.gz MUTBKFVJYNTOPD-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN C[C@@H](CC(=O)[O-])C[N@H+](C)CC1CCC1 258868858 573676027 /nfs/dbraw/zinc/67/60/27/573676027.db2.gz KSERFBOXOQXQCE-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN O=Cc1nc(C[C@@H]2CCCS2)no1 258078699 573676037 /nfs/dbraw/zinc/67/60/37/573676037.db2.gz QVGSGDJDCKMRJT-LURJTMIESA-N 0 0 198.247 1.320 10 0 ADAERN C[C@@H](CCC1=CC[N@H+](C)CC1)C(=O)[O-] 258077757 573676071 /nfs/dbraw/zinc/67/60/71/573676071.db2.gz MRNXIHUHJMMZGV-VIFPVBQESA-N 0 0 197.278 1.749 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]2C3CC[NH+](CC3)[C@@H]2C1 107958370 573676087 /nfs/dbraw/zinc/67/60/87/573676087.db2.gz YWBOMIWYMQTVFG-KXUCPTDWSA-N 0 0 195.262 1.191 10 0 ADAERN CC(C)C[C@@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258076081 573676139 /nfs/dbraw/zinc/67/61/39/573676139.db2.gz FNGLASZCORTAAH-WCBMZHEXSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1NC(=O)Oc2ccccc21 238468105 573676144 /nfs/dbraw/zinc/67/61/44/573676144.db2.gz HUQAZVXPKZYIST-ZCFIWIBFSA-N 0 0 163.176 1.850 10 0 ADAERN CC(C)(C)Cc1ncc(CO)o1 258077778 573676151 /nfs/dbraw/zinc/67/61/51/573676151.db2.gz MGQCVYOHSNMLGK-UHFFFAOYSA-N 0 0 169.224 1.756 10 0 ADAERN CC(=O)CN(C)Cc1cc[nH]c1 258860446 573676156 /nfs/dbraw/zinc/67/61/56/573676156.db2.gz FNBDRLGVTUXOJP-UHFFFAOYSA-N 0 0 166.224 1.036 10 0 ADAERN CC(=O)c1cncn1CCF 211991208 573676157 /nfs/dbraw/zinc/67/61/57/573676157.db2.gz IJLJYCGULAHOLC-UHFFFAOYSA-N 0 0 156.160 1.055 10 0 ADAERN Cc1oc(N)nc1-c1ccccc1O 257845867 573676166 /nfs/dbraw/zinc/67/61/66/573676166.db2.gz NQIDLFBPSADITH-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C[C@@]1(c2ccccc2)CC(=O)[C@H](O)C1 238468547 573676171 /nfs/dbraw/zinc/67/61/71/573676171.db2.gz OESRGQVPUGFWPV-PWSUYJOCSA-N 0 0 190.242 1.668 10 0 ADAERN CC[C@@H]1C[C@H]1CN=[S@@](C)(N)=O 404865687 573676172 /nfs/dbraw/zinc/67/61/72/573676172.db2.gz ZRCNABQEQBGEGI-PTZCXBDSSA-N 0 0 176.285 1.004 10 0 ADAERN OCCCc1cc(F)c(F)cc1O 258090832 573678533 /nfs/dbraw/zinc/67/85/33/573678533.db2.gz NZGKLTMIBWFNAZ-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN C[C@]1(c2ccccc2)NCC(=N)O1 238469058 573678560 /nfs/dbraw/zinc/67/85/60/573678560.db2.gz UPSAGFNRLZVOSC-JTQLQIEISA-N 0 0 176.219 1.456 10 0 ADAERN OCNc1ccc2c(c1)CCCC2 258877501 573678571 /nfs/dbraw/zinc/67/85/71/573678571.db2.gz HKXRDPUGEHSYQD-UHFFFAOYSA-N 0 0 177.247 1.927 10 0 ADAERN Cc1cc(O)cc(CON)c1F 258080468 573678573 /nfs/dbraw/zinc/67/85/73/573678573.db2.gz VOMJLVYRFINZEA-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN Cc1ccc([C@@H]([NH3+])/C=C/C(=O)[O-])o1 259548443 573678600 /nfs/dbraw/zinc/67/86/00/573678600.db2.gz UMDHFGRNELCWLK-MZTFZBDOSA-N 0 0 181.191 1.229 10 0 ADAERN O=Cc1nocc1-c1ccc(O)cc1 257846347 573678603 /nfs/dbraw/zinc/67/86/03/573678603.db2.gz QBEFPQMVVGEXRB-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN OCc1coc([C@H]2CCCO2)n1 258080216 573678670 /nfs/dbraw/zinc/67/86/70/573678670.db2.gz MLCIWTSHQFALNJ-SSDOTTSWSA-N 0 0 169.180 1.018 10 0 ADAERN O=c1[nH][nH]cc1-c1ccco1 258875669 573678730 /nfs/dbraw/zinc/67/87/30/573678730.db2.gz SHPBEVPLJOLLNC-UHFFFAOYSA-N 0 0 150.137 1.375 10 0 ADAERN O[C@@H](CC1CCC1)c1cnccn1 83840611 573678731 /nfs/dbraw/zinc/67/87/31/573678731.db2.gz LLINZROZCGILMS-JTQLQIEISA-N 0 0 178.235 1.700 10 0 ADAERN Cc1ccccc1CNC1=NCCO1 238469614 573678750 /nfs/dbraw/zinc/67/87/50/573678750.db2.gz JJVPVPTWFGZBMR-UHFFFAOYSA-N 0 0 190.246 1.471 10 0 ADAERN Cc1cc(O)ccc1CON 258080353 573678767 /nfs/dbraw/zinc/67/87/67/573678767.db2.gz VLVOPJCMMGREIT-UHFFFAOYSA-N 0 0 153.181 1.091 10 0 ADAERN CC(=O)N1CC[C@H](C)CCC1=O 238469209 573678774 /nfs/dbraw/zinc/67/87/74/573678774.db2.gz KSGUEXFLTZFWKC-SSDOTTSWSA-N 0 0 169.224 1.182 10 0 ADAERN Cc1ccc([C@@H](C)CO)c2c1OCO2 258090723 573678775 /nfs/dbraw/zinc/67/87/75/573678775.db2.gz NYCXLYRUUXUTKD-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN CC(C)C[N@H+](C)C[C@@H]1C[C@@H]1C(=O)[O-] 258878070 573678796 /nfs/dbraw/zinc/67/87/96/573678796.db2.gz LSRKZMFRUBOHOT-IUCAKERBSA-N 0 0 185.267 1.295 10 0 ADAERN C/C=C(\C)C(=O)N[C@@H]1CC[C@@H]1C 394382957 573678821 /nfs/dbraw/zinc/67/88/21/573678821.db2.gz SFEAYTQXIFEIKV-UFVYQPJESA-N 0 0 167.252 1.867 10 0 ADAERN C[C@@H]1C[C@H]2[C@@H](CCC23OCCO3)C1=O 238468785 573678840 /nfs/dbraw/zinc/67/88/40/573678840.db2.gz GPLQSLHBTPFQHO-HLTSFMKQSA-N 0 0 196.246 1.365 10 0 ADAERN C[C@@H](O)Cc1cccc([C@@H](C)O)c1 259550060 573678849 /nfs/dbraw/zinc/67/88/49/573678849.db2.gz VRTSDQXQPAEOSF-RKDXNWHRSA-N 0 0 180.247 1.663 10 0 ADAERN CC(=O)CCCN1CCC(F)(F)C1 259550022 573678887 /nfs/dbraw/zinc/67/88/87/573678887.db2.gz ROBCOPNVJGETNX-UHFFFAOYSA-N 0 0 191.221 1.697 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)C[C@@H](C)O2 238468988 573678894 /nfs/dbraw/zinc/67/88/94/573678894.db2.gz XKTRAQPJSFDSJO-ZCFIWIBFSA-N 0 0 165.192 1.007 10 0 ADAERN CC(C)=C[C@@H]1C[C@@H]1[C@@H](C)O 238469670 573678910 /nfs/dbraw/zinc/67/89/10/573678910.db2.gz VMQGFMRAWUHJNF-IWSPIJDZSA-N 0 0 140.226 1.970 10 0 ADAERN CO[C@@H](C)C(=O)Oc1cccnc1 308414789 573678912 /nfs/dbraw/zinc/67/89/12/573678912.db2.gz MWVKBOPRAHPYGE-ZETCQYMHSA-N 0 0 181.191 1.022 10 0 ADAERN CCOC(=O)N[C@@H](C)c1ccon1 308414757 573678925 /nfs/dbraw/zinc/67/89/25/573678925.db2.gz MVMTVVOXIWNHDZ-LURJTMIESA-N 0 0 184.195 1.482 10 0 ADAERN COCCSc1ncc(C=O)cn1 126767861 573678935 /nfs/dbraw/zinc/67/89/35/573678935.db2.gz KBEUTKWFJIJLOE-UHFFFAOYSA-N 0 0 198.247 1.028 10 0 ADAERN OC1(c2ccc3oncc3c2)CC1 258090452 573678946 /nfs/dbraw/zinc/67/89/46/573678946.db2.gz WXDBBQQQUNOYOH-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN COc1ccncc1C[C@H](C)O 259154733 573678970 /nfs/dbraw/zinc/67/89/70/573678970.db2.gz HFFXSSVEBOHQTB-ZETCQYMHSA-N 0 0 167.208 1.014 10 0 ADAERN [NH3+]C1(c2cc([O-])ccc2C=O)CC1 258080520 573678987 /nfs/dbraw/zinc/67/89/87/573678987.db2.gz VQMRQQSMDKAWQZ-UHFFFAOYSA-N 0 0 177.203 1.153 10 0 ADAERN Cc1ncc(CCCCO)o1 238469442 573678992 /nfs/dbraw/zinc/67/89/92/573678992.db2.gz FOGVYIKERBENQF-UHFFFAOYSA-N 0 0 155.197 1.298 10 0 ADAERN CN(CCCCO)c1ccc[nH]1 259156244 573679024 /nfs/dbraw/zinc/67/90/24/573679024.db2.gz XTRVUYNSLGFKRM-UHFFFAOYSA-N 0 0 168.240 1.223 10 0 ADAERN Cn1ccc2c(F)ccc(N)c21 259549257 573679071 /nfs/dbraw/zinc/67/90/71/573679071.db2.gz UGADJXVWMUQPDX-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN COC(=O)[C@@H](c1cncs1)C1CC1 259550721 573679080 /nfs/dbraw/zinc/67/90/80/573679080.db2.gz BQBXQVQCIDOANH-MRVPVSSYSA-N 0 0 197.259 1.810 10 0 ADAERN C[C@H]1[C@H]2CNC(=O)[C@@]12c1ccccc1 238469188 573679101 /nfs/dbraw/zinc/67/91/01/573679101.db2.gz STXRRYCTOWIEFW-MKPLZMMCSA-N 0 0 187.242 1.320 10 0 ADAERN C[C@H](O)Cc1coc([C@H]2CCCO2)n1 258080180 573679113 /nfs/dbraw/zinc/67/91/13/573679113.db2.gz MKJQYEHBMQBQPU-IONNQARKSA-N 0 0 197.234 1.449 10 0 ADAERN CCC[N@H+](C)C[C@H](CC)C(=O)[O-] 258877208 573679141 /nfs/dbraw/zinc/67/91/41/573679141.db2.gz BTFNWCMRPALUQS-QMMMGPOBSA-N 0 0 173.256 1.439 10 0 ADAERN C[C@@H]1C[C@@H](NC=O)c2ccccc2N1 238468745 573679147 /nfs/dbraw/zinc/67/91/47/573679147.db2.gz XROFDIKKABZNLR-LDYMZIIASA-N 0 0 190.246 1.678 10 0 ADAERN CC(=O)c1cnoc1[C@@H]1CCOC1 259154669 573679193 /nfs/dbraw/zinc/67/91/93/573679193.db2.gz ICHUVLYHDQDVOD-SSDOTTSWSA-N 0 0 181.191 1.381 10 0 ADAERN C[C@H]1CC=CC(C)(C)[C@H]1O 238469467 573679201 /nfs/dbraw/zinc/67/92/01/573679201.db2.gz QGRYBDZLOZVGIL-YUMQZZPRSA-N 0 0 140.226 1.970 10 0 ADAERN CC[C@@H](O)c1cc(F)ccc1N 107995296 573679202 /nfs/dbraw/zinc/67/92/02/573679202.db2.gz SFEPCQSGOJNGFX-SECBINFHSA-N 0 0 169.199 1.851 10 0 ADAERN Cc1nc2c(CON)cccc2n1C 258090896 573679223 /nfs/dbraw/zinc/67/92/23/573679223.db2.gz NZTAPUHEARNYND-UHFFFAOYSA-N 0 0 191.234 1.272 10 0 ADAERN CCc1c(CNO)cccc1OC 258090407 573679241 /nfs/dbraw/zinc/67/92/41/573679241.db2.gz WVSVQZKMICOZSA-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN O=Cc1cnoc1C[C@H]1CCCS1 257846221 573679257 /nfs/dbraw/zinc/67/92/57/573679257.db2.gz AGSANMLEFQRCQA-MRVPVSSYSA-N 0 0 197.259 1.925 10 0 ADAERN COc1cc(C)cc(C)c1NCO 258877559 573678522 /nfs/dbraw/zinc/67/85/22/573678522.db2.gz HLNUDSISXDCOPN-UHFFFAOYSA-N 0 0 181.235 1.674 10 0 ADAERN C[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C1CCC1 235634801 573681354 /nfs/dbraw/zinc/68/13/54/573681354.db2.gz QRBBZAYZKVFQMS-DTWKUNHWSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H](O)Cc1coc([C@@H]2CCCO2)n1 258080176 573681358 /nfs/dbraw/zinc/68/13/58/573681358.db2.gz MKJQYEHBMQBQPU-APPZFPTMSA-N 0 0 197.234 1.449 10 0 ADAERN COC(=O)/C=C/N1C[C@H](C)CC[C@@H]1C 86899969 573681359 /nfs/dbraw/zinc/68/13/59/573681359.db2.gz DNZSPRFEAJATTQ-YJOJJWFDSA-N 0 0 197.278 1.794 10 0 ADAERN CN1C[C@H](CCO)c2c(O)cccc21 258091076 573681366 /nfs/dbraw/zinc/68/13/66/573681366.db2.gz NJAZEUAXFKIFCW-QMMMGPOBSA-N 0 0 193.246 1.308 10 0 ADAERN COC(=O)/C=C/N1CCC(C)CC1 86897457 573681378 /nfs/dbraw/zinc/68/13/78/573681378.db2.gz FDEPGCOQRYRWDS-VMPITWQZSA-N 0 0 183.251 1.405 10 0 ADAERN CCNc1nc2c(N)cccc2o1 86895991 573681386 /nfs/dbraw/zinc/68/13/86/573681386.db2.gz IWASKDJNQCHPBX-UHFFFAOYSA-N 0 0 177.207 1.842 10 0 ADAERN Cc1c(CON)ccc2c1OCO2 258090348 573681389 /nfs/dbraw/zinc/68/13/89/573681389.db2.gz WSFDQRQPVMBWTE-UHFFFAOYSA-N 0 0 181.191 1.114 10 0 ADAERN C[C@@H](O)c1cc2cccc(O)c2n1C 258080515 573681405 /nfs/dbraw/zinc/68/14/05/573681405.db2.gz HJHIPNLAABFAPX-SSDOTTSWSA-N 0 0 191.230 1.937 10 0 ADAERN CC(=O)c1cc(CO)ccc1F 258090368 573681411 /nfs/dbraw/zinc/68/14/11/573681411.db2.gz WTAUACQNPPKWOQ-UHFFFAOYSA-N 0 0 168.167 1.521 10 0 ADAERN O=C(CC1CCC1)c1cnccn1 83840094 573681420 /nfs/dbraw/zinc/68/14/20/573681420.db2.gz RRVKOWOWKRZMAW-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN CO[C@H](C)CC(=O)OC1CC(C)C1 308415756 573681422 /nfs/dbraw/zinc/68/14/22/573681422.db2.gz NCSZPMAVQYIFRR-QJAFJHJLSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@]1(c2ccccc2)C[C@H](O)OC1=O 238468806 573681437 /nfs/dbraw/zinc/68/14/37/573681437.db2.gz ZXOOMNQSHVLREW-MWLCHTKSSA-N 0 0 192.214 1.210 10 0 ADAERN COC(=O)/C=C/N(C)CC1CCCC1 86899700 573681442 /nfs/dbraw/zinc/68/14/42/573681442.db2.gz VEYFYHWQVOLYQH-BQYQJAHWSA-N 0 0 197.278 1.795 10 0 ADAERN COC(=O)/C=C/N1[C@@H](C)CCC[C@@H]1C 86897650 573681448 /nfs/dbraw/zinc/68/14/48/573681448.db2.gz ZCQGBFGLBDJCMW-GOPXOUGQSA-N 0 0 197.278 1.936 10 0 ADAERN COCc1cccc([C@H](C)O)c1O 258090931 573681465 /nfs/dbraw/zinc/68/14/65/573681465.db2.gz NZYGWYBUTSXGHO-ZETCQYMHSA-N 0 0 182.219 1.592 10 0 ADAERN O=C(C[C@@H]1C=CCC1)OC1COC1 308420686 573681473 /nfs/dbraw/zinc/68/14/73/573681473.db2.gz SQNLPMDASRGKQD-MRVPVSSYSA-N 0 0 182.219 1.285 10 0 ADAERN CCc1cnc(N(C)CC(C)=O)nc1 259551655 573681477 /nfs/dbraw/zinc/68/14/77/573681477.db2.gz UBRMDKOKQQKYOS-UHFFFAOYSA-N 0 0 193.250 1.064 10 0 ADAERN C[C@@H]1C(=O)C[C@H]2C=C[C@@H]1C2 238469325 573681513 /nfs/dbraw/zinc/68/15/13/573681513.db2.gz OYDJTHWIFKWKFT-BIIVOSGPSA-N 0 0 136.194 1.788 10 0 ADAERN CNC(NC)c1ccc(OC)c(C)c1 259156876 573681523 /nfs/dbraw/zinc/68/15/23/573681523.db2.gz CSUNWOUPCWAISB-UHFFFAOYSA-N 0 0 194.278 1.441 10 0 ADAERN O=C(OC/C=C/Cl)c1cccnc1 393547640 573681542 /nfs/dbraw/zinc/68/15/42/573681542.db2.gz JWNPXVFZEJFVOB-DUXPYHPUSA-N 0 0 197.621 1.991 10 0 ADAERN Cc1cc(=O)cc(C)n1CC[C@H](C)O 86895609 573681587 /nfs/dbraw/zinc/68/15/87/573681587.db2.gz RSPMIHZFIOHEBU-JTQLQIEISA-N 0 0 195.262 1.236 10 0 ADAERN CC1(C)Oc2ccc(CNO)cc2O1 258090870 573681600 /nfs/dbraw/zinc/68/16/00/573681600.db2.gz NZNMJDFDPYTQNA-UHFFFAOYSA-N 0 0 195.218 1.673 10 0 ADAERN CSC[C@H](CO)c1ccc(O)cc1 258079682 573681612 /nfs/dbraw/zinc/68/16/12/573681612.db2.gz CTXMBKUSGTVGQC-VIFPVBQESA-N 0 0 198.287 1.831 10 0 ADAERN CC(C)[N@H+](C)C[C@H]1C[C@@H]1C(=O)[O-] 258874392 573681628 /nfs/dbraw/zinc/68/16/28/573681628.db2.gz LFJAHCTWQZKWRH-SFYZADRCSA-N 0 0 171.240 1.047 10 0 ADAERN O=C1CN[C@@H](c2cccc(Cl)c2)C1 258091304 573681629 /nfs/dbraw/zinc/68/16/29/573681629.db2.gz NAZXBGQUPYXQIE-SNVBAGLBSA-N 0 0 195.649 1.944 10 0 ADAERN Cn1cc2cc(F)c(C=O)cc2n1 259551753 573681635 /nfs/dbraw/zinc/68/16/35/573681635.db2.gz ULZICFQFCUMYSM-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN O=Cc1ncn(-c2ccc(F)cc2)n1 259617477 573681652 /nfs/dbraw/zinc/68/16/52/573681652.db2.gz FADKMMOVCLKDFQ-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN [NH3+][C@H](/C=C/c1ccccc1F)C(=O)[O-] 257847180 573681656 /nfs/dbraw/zinc/68/16/56/573681656.db2.gz NVTLGCLOQGBPMC-VUHVRTRXSA-N 0 0 195.193 1.251 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CCC(=O)O1 197454111 573681664 /nfs/dbraw/zinc/68/16/64/573681664.db2.gz RKPFVUUKZWOZSL-ZCFIWIBFSA-N 0 0 170.208 1.307 10 0 ADAERN C[C@H]1CC=C(CO)[C@@H](C)O1 238468945 573681687 /nfs/dbraw/zinc/68/16/87/573681687.db2.gz LPTCZEYBFBKVEL-NKWVEPMBSA-N 0 0 142.198 1.102 10 0 ADAERN C[C@@]12Cc3ccccc3[C@@H](C1)NC2=O 238469830 573681703 /nfs/dbraw/zinc/68/17/03/573681703.db2.gz VJWIZYFBDCXKEV-ZYHUDNBSSA-N 0 0 187.242 1.810 10 0 ADAERN C[C@H](C[C@@H]1C[NH+]2CCC1CC2)C(=O)[O-] 107977871 573681704 /nfs/dbraw/zinc/68/17/04/573681704.db2.gz RBPNUZSEINXTKO-PSASIEDQSA-N 0 0 197.278 1.439 10 0 ADAERN Cn1ncc(N)c1-c1cccc(O)c1 257847203 573681714 /nfs/dbraw/zinc/68/17/14/573681714.db2.gz NWKUWPPZVHNFFZ-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CCN(CC)Cc1ncc(C)n1C 308420241 573681731 /nfs/dbraw/zinc/68/17/31/573681731.db2.gz OMLLKYAJBMDDPU-UHFFFAOYSA-N 0 0 181.283 1.570 10 0 ADAERN C[C@H]1CC=C(CO)[C@H](C)O1 238468956 573681734 /nfs/dbraw/zinc/68/17/34/573681734.db2.gz LPTCZEYBFBKVEL-BQBZGAKWSA-N 0 0 142.198 1.102 10 0 ADAERN CC1(C)Nc2c(O)cccc2NC1=O 257847241 573681756 /nfs/dbraw/zinc/68/17/56/573681756.db2.gz ANMUUDYIFMCLKY-UHFFFAOYSA-N 0 0 192.218 1.535 10 0 ADAERN C[C@H]1c2ccc(O)cc2CCN1C#N 238469524 573681773 /nfs/dbraw/zinc/68/17/73/573681773.db2.gz VZMXFXOCQKBOAL-QMMMGPOBSA-N 0 0 188.230 1.792 10 0 ADAERN Cc1cc(=O)cc(C)n1CC(C)(C)O 86895615 573681806 /nfs/dbraw/zinc/68/18/06/573681806.db2.gz MAQMDZYPUZDEDG-UHFFFAOYSA-N 0 0 195.262 1.236 10 0 ADAERN COc1cc(N)c2c(ccn2C)c1 259551724 573681822 /nfs/dbraw/zinc/68/18/22/573681822.db2.gz UKZYWSUWPNGTBP-UHFFFAOYSA-N 0 0 176.219 1.769 10 0 ADAERN Cc1c(C=O)ccc2cnn(C)c12 259551588 573681825 /nfs/dbraw/zinc/68/18/25/573681825.db2.gz UHWDMTXTOAGTAQ-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN O=C(CC1CCC1)[C@@H]1CCCO1 83840291 573681834 /nfs/dbraw/zinc/68/18/34/573681834.db2.gz KWMGVZFMJUHIIW-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CCn1nc(N)c2c1CN(C(C)C)C2 257847262 573681895 /nfs/dbraw/zinc/68/18/95/573681895.db2.gz NYQHUMWVVCLEKF-UHFFFAOYSA-N 0 0 194.282 1.209 10 0 ADAERN Nc1ncc(C2CC2)cc1CO 259551798 573681913 /nfs/dbraw/zinc/68/19/13/573681913.db2.gz CQFUEKPZPXPPJN-UHFFFAOYSA-N 0 0 164.208 1.034 10 0 ADAERN CC(C)Cn1[nH]c(=O)c2c1CN(C)C2 257847192 573681919 /nfs/dbraw/zinc/68/19/19/573681919.db2.gz NVXNIBIBTGFUFF-UHFFFAOYSA-N 0 0 195.266 1.190 10 0 ADAERN O[C@H](CC1CCC1)c1ncccn1 83840613 573681926 /nfs/dbraw/zinc/68/19/26/573681926.db2.gz NCTQWOARIYVFQM-SECBINFHSA-N 0 0 178.235 1.700 10 0 ADAERN CSC[C@H](O)CC1CCC1 83840762 573681931 /nfs/dbraw/zinc/68/19/31/573681931.db2.gz KCXFJWSKMKSHOY-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN Cc1n[nH]c(C)c1SCCO 238469540 573681989 /nfs/dbraw/zinc/68/19/89/573681989.db2.gz RZDHFFJRJVHOOT-UHFFFAOYSA-N 0 0 172.253 1.111 10 0 ADAERN O=C(OC/C=C\Cl)c1cccnc1 393547645 573681990 /nfs/dbraw/zinc/68/19/90/573681990.db2.gz JWNPXVFZEJFVOB-RQOWECAXSA-N 0 0 197.621 1.991 10 0 ADAERN NOCc1ccc([C@H]2CCCO2)cc1 258090782 573681991 /nfs/dbraw/zinc/68/19/91/573681991.db2.gz NYPDYNMVJXMLMW-LLVKDONJSA-N 0 0 193.246 1.928 10 0 ADAERN O=C([O-])CC[C@@H]1C[NH+]2CCC1CC2 107977693 573681993 /nfs/dbraw/zinc/68/19/93/573681993.db2.gz RCVFVHUTAHTDQD-SECBINFHSA-N 0 0 183.251 1.193 10 0 ADAERN Cc1nc2ccccc2c2cc(N)nn12 258090391 573682013 /nfs/dbraw/zinc/68/20/13/573682013.db2.gz WUZMGGJKOIFYFU-UHFFFAOYSA-N 0 0 198.229 1.773 10 0 ADAERN CCCNc1cncc(N(C)C)c1 122051687 573685379 /nfs/dbraw/zinc/68/53/79/573685379.db2.gz GXEUKPJDGQJUGW-UHFFFAOYSA-N 0 0 179.267 1.970 10 0 ADAERN C/C=C(/CO)[C@H](O)c1ccccc1 237985927 573686073 /nfs/dbraw/zinc/68/60/73/573686073.db2.gz BCLPOYSNNQWEBK-KPEAJPNUSA-N 0 0 178.231 1.659 10 0 ADAERN CC(C)[C@H](CO)C(=O)c1ccc[nH]1 259158562 573685396 /nfs/dbraw/zinc/68/53/96/573685396.db2.gz OQFXWLKZPBOFSP-QMMMGPOBSA-N 0 0 181.235 1.462 10 0 ADAERN C[N@@H+]1C[C@@H](CC(=O)[O-])CCC1(C)C 259170193 573685404 /nfs/dbraw/zinc/68/54/04/573685404.db2.gz AQCWFFDUSPOKBH-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@]1(c2cccnc2)NCCS1 238470768 573685407 /nfs/dbraw/zinc/68/54/07/573685407.db2.gz DEAZWHDDJRUWRM-VIFPVBQESA-N 0 0 180.276 1.591 10 0 ADAERN COc1cc(CON)cc(C)c1F 258093526 573685441 /nfs/dbraw/zinc/68/54/41/573685441.db2.gz ODXZLEPIKWKCFB-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN Nc1n[nH]cc1[C@@H](O)CC1CCC1 83840903 573685456 /nfs/dbraw/zinc/68/54/56/573685456.db2.gz VUSORGRXNFCHAS-QMMMGPOBSA-N 0 0 181.239 1.216 10 0 ADAERN C[C@]1(c2ccccc2O)CC[C@@H](O)O1 238470452 573685469 /nfs/dbraw/zinc/68/54/69/573685469.db2.gz AUUWLTSKDMIDBT-WDEREUQCSA-N 0 0 194.230 1.736 10 0 ADAERN Nc1cnc2nc(Cl)ccc2c1 258092971 573685470 /nfs/dbraw/zinc/68/54/70/573685470.db2.gz WZGMELQWMITDPE-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN CC(C)(O)C1(c2cc[nH]c2)COC1 259158225 573685473 /nfs/dbraw/zinc/68/54/73/573685473.db2.gz INGDCSMWQXYCOM-UHFFFAOYSA-N 0 0 181.235 1.054 10 0 ADAERN O[C@@H](CC1CCC1)C1CCOCC1 83840888 573685476 /nfs/dbraw/zinc/68/54/76/573685476.db2.gz VFVCEYIMXYJOBZ-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN C/C=C(/CO)CCC1OCCO1 237985347 573685519 /nfs/dbraw/zinc/68/55/19/573685519.db2.gz LHCWFCPMYQSDID-KRXBUXKQSA-N 0 0 172.224 1.078 10 0 ADAERN C[C@@H](O)c1cnn(CC2CCC2)c1 83842008 573685520 /nfs/dbraw/zinc/68/55/20/573685520.db2.gz DLIZGFGSMGFJKY-MRVPVSSYSA-N 0 0 180.251 1.737 10 0 ADAERN Cc1ccc(CO)c2c1OCO2 258092623 573685538 /nfs/dbraw/zinc/68/55/38/573685538.db2.gz WYVZFMXLZPOZNA-UHFFFAOYSA-N 0 0 166.176 1.216 10 0 ADAERN C[C@H]1C[C@H](CO)N(c2ccccc2)C1 238470538 573685555 /nfs/dbraw/zinc/68/55/55/573685555.db2.gz UJMHVXGAKOFFRJ-CMPLNLGQSA-N 0 0 191.274 1.894 10 0 ADAERN C=COCCOC(=O)c1ccoc1 393549160 573685569 /nfs/dbraw/zinc/68/55/69/573685569.db2.gz NNOLPYWKILIYNN-UHFFFAOYSA-N 0 0 182.175 1.597 10 0 ADAERN Cc1nc2c(o1)[C@@H](C)CNC2 238477954 573685586 /nfs/dbraw/zinc/68/55/86/573685586.db2.gz IWEDNFRJZOGXMP-YFKPBYRVSA-N 0 0 152.197 1.190 10 0 ADAERN COC1([C@H](O)C2CC2)CCC1 122026539 573685597 /nfs/dbraw/zinc/68/55/97/573685597.db2.gz BNWVVLPJCFXTDK-MRVPVSSYSA-N 0 0 156.225 1.326 10 0 ADAERN CCc1c(-c2cnn(C)c2)noc1N 122021377 573685608 /nfs/dbraw/zinc/68/56/08/573685608.db2.gz KYYJCZZEONBTMK-UHFFFAOYSA-N 0 0 192.222 1.220 10 0 ADAERN CCCOCC[C@@H](NN)C(C)C 126788726 573685613 /nfs/dbraw/zinc/68/56/13/573685613.db2.gz VAKGHXWRDMDWBJ-SECBINFHSA-N 0 0 174.288 1.291 10 0 ADAERN CCN1C(=O)CN[C@@H]1c1ccccc1 108122641 573685621 /nfs/dbraw/zinc/68/56/21/573685621.db2.gz VYPYUIXSAQVLNB-NSHDSACASA-N 0 0 190.246 1.137 10 0 ADAERN CC1(C)CNc2cc(CO)ccc2N1 259158518 573685627 /nfs/dbraw/zinc/68/56/27/573685627.db2.gz IJJRHHRTUIGTPI-UHFFFAOYSA-N 0 0 192.262 1.795 10 0 ADAERN C[C@](CCO)(N=O)C(F)(F)F 238478073 573685630 /nfs/dbraw/zinc/68/56/30/573685630.db2.gz NXRCZFSHIJYEGQ-SCSAIBSYSA-N 0 0 171.118 1.456 10 0 ADAERN O=C([C@H]1CCOC1)C1(O)CCCCC1 236475185 573685631 /nfs/dbraw/zinc/68/56/31/573685631.db2.gz CTHWXYBHECLOAI-VIFPVBQESA-N 0 0 198.262 1.287 10 0 ADAERN Cc1cn(CC23CC(CO2)C3)c(=O)[nH]1 716095105 573685645 /nfs/dbraw/zinc/68/56/45/573685645.db2.gz YVEGSWOCNIJJMP-UHFFFAOYSA-N 0 0 194.234 1.076 10 0 ADAERN C[C@@H]1CC=C[C@@H](CCCO)[C@@]1(C)CO 223370822 573685655 /nfs/dbraw/zinc/68/56/55/573685655.db2.gz WOUJFIOSJAXBSK-WOPDTQHZSA-N 0 0 198.306 1.970 10 0 ADAERN OC1(c2ccc(Cl)o2)CC1 236472429 573685656 /nfs/dbraw/zinc/68/56/56/573685656.db2.gz ZQDQCWXMRXZWPU-UHFFFAOYSA-N 0 0 158.584 1.914 10 0 ADAERN CC1SC(CCCO)=NC1=O 238470869 573685675 /nfs/dbraw/zinc/68/56/75/573685675.db2.gz BEVHKJGMWZARHE-UHFFFAOYSA-N 0 0 173.237 1.082 10 0 ADAERN C[C@H]1NC(=S)C=C(N(C)C)[C@@H]1C 238470357 573685692 /nfs/dbraw/zinc/68/56/92/573685692.db2.gz NWVFGHIBBFHNOY-RNFRBKRXSA-N 0 0 184.308 1.387 10 0 ADAERN Nc1cncc(N2CCSCC2)c1 122049847 573685698 /nfs/dbraw/zinc/68/56/98/573685698.db2.gz AXOXJPMLJPBPBY-UHFFFAOYSA-N 0 0 195.291 1.217 10 0 ADAERN CNc1cncc(NC(C)C)c1 122055709 573685750 /nfs/dbraw/zinc/68/57/50/573685750.db2.gz MQXHAVPSHDCZRQ-UHFFFAOYSA-N 0 0 165.240 1.944 10 0 ADAERN C[C@H](O)c1cccc2c1OCC(=O)N2 258093532 573685752 /nfs/dbraw/zinc/68/57/52/573685752.db2.gz OEDHNPXSJFUQDR-LURJTMIESA-N 0 0 193.202 1.071 10 0 ADAERN C[C@H](O)[C@@H]1Cc2ccccc2N1N=O 238477989 573685764 /nfs/dbraw/zinc/68/57/64/573685764.db2.gz QUYASZSZFOOHOU-XVKPBYJWSA-N 0 0 192.218 1.480 10 0 ADAERN C/C=C(/C)[C@H](C)[C@@](C)(O)C(C)=O 237981258 573685765 /nfs/dbraw/zinc/68/57/65/573685765.db2.gz AOXGPCLJWRNNBC-USOKFJGMSA-N 0 0 170.252 1.929 10 0 ADAERN Cc1nccc([C@H](O)c2ccoc2)n1 124875312 573685783 /nfs/dbraw/zinc/68/57/83/573685783.db2.gz QBTPDMJORJMYFC-SNVBAGLBSA-N 0 0 190.202 1.460 10 0 ADAERN Cc1ccnc(Cl)c1NC=O 83852049 573685790 /nfs/dbraw/zinc/68/57/90/573685790.db2.gz AESOGKBXIPSNDZ-UHFFFAOYSA-N 0 0 170.599 1.612 10 0 ADAERN COC(=O)c1onc(C(C)C)c1C 259556582 573685800 /nfs/dbraw/zinc/68/58/00/573685800.db2.gz WLXIGXXOQJTBKI-UHFFFAOYSA-N 0 0 183.207 1.893 10 0 ADAERN CCOC(=O)[C@@H](N)CCCC(F)F 688730368 573685804 /nfs/dbraw/zinc/68/58/04/573685804.db2.gz WVDLJOQOTQEADM-LURJTMIESA-N 0 0 195.209 1.312 10 0 ADAERN C[C@H]1NC(=S)NC[C@@H]1c1ccco1 238470709 573685806 /nfs/dbraw/zinc/68/58/06/573685806.db2.gz DFGHZVXZRJLZOS-RQJHMYQMSA-N 0 0 196.275 1.229 10 0 ADAERN C[C@H]1C[C@](CO)(c2ccccc2)CO1 238477956 573685812 /nfs/dbraw/zinc/68/58/12/573685812.db2.gz ROXIFVLVKQCPHM-CMPLNLGQSA-N 0 0 192.258 1.726 10 0 ADAERN CC[C@H](C(=O)OC)c1ccc[nH]1 259169932 573685813 /nfs/dbraw/zinc/68/58/13/573685813.db2.gz JFWWFKBUWHUGEB-ZETCQYMHSA-N 0 0 167.208 1.681 10 0 ADAERN C[C@]1(c2ccccn2)NC(=O)CS1 238470611 573685819 /nfs/dbraw/zinc/68/58/19/573685819.db2.gz SBZVLJBHYMSQJH-VIFPVBQESA-N 0 0 194.259 1.117 10 0 ADAERN C/C=C(/C)[C@H]1OC[C@H](C)N1C(N)=O 237982959 573685837 /nfs/dbraw/zinc/68/58/37/573685837.db2.gz SKKQJMYIGDLTRD-VFYBFDEHSA-N 0 0 184.239 1.078 10 0 ADAERN COC(=O)C(F)(F)C(C)(C)C 258510848 573685872 /nfs/dbraw/zinc/68/58/72/573685872.db2.gz LGYTYXDOVQZOPD-UHFFFAOYSA-N 0 0 166.167 1.841 10 0 ADAERN Cc1cc(=O)c(N)c(C(F)F)[nH]1 238470766 573685886 /nfs/dbraw/zinc/68/58/86/573685886.db2.gz VNAQBUYWDNGAJG-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC(C)[C@H](O)CCNc1ncccn1 308667998 573685913 /nfs/dbraw/zinc/68/59/13/573685913.db2.gz UFRXIMSWQXVBQJ-SECBINFHSA-N 0 0 195.266 1.296 10 0 ADAERN C/C=C/C(=O)NCCCOCCC 130851126 573685953 /nfs/dbraw/zinc/68/59/53/573685953.db2.gz CWRBXXWZGQBERM-ZZXKWVIFSA-N 0 0 185.267 1.495 10 0 ADAERN Cn1ncc([C@H](O)CC2CCC2)c1N 83840900 573685961 /nfs/dbraw/zinc/68/59/61/573685961.db2.gz PSUARHWLBLFFNQ-SECBINFHSA-N 0 0 195.266 1.226 10 0 ADAERN CC(C)OC[C@H](C)Nc1ccnn1C 308672495 573685963 /nfs/dbraw/zinc/68/59/63/573685963.db2.gz VJZSWZPIQFIGNL-VIFPVBQESA-N 0 0 197.282 1.646 10 0 ADAERN C[C@H]1NC(=O)[C@]1(Cl)c1ccccc1 238470127 573685966 /nfs/dbraw/zinc/68/59/66/573685966.db2.gz GYOYJKLIAIFEAL-GMSGAONNSA-N 0 0 195.649 1.639 10 0 ADAERN CCC(=O)[C@H]1CCO[C@]2(CCOC2)C1 86909036 573685967 /nfs/dbraw/zinc/68/59/67/573685967.db2.gz ULPOPYJUPKNCEZ-GXSJLCMTSA-N 0 0 198.262 1.551 10 0 ADAERN CC(C)(C)Nc1cncc(N)c1 122021791 573685972 /nfs/dbraw/zinc/68/59/72/573685972.db2.gz FAUQFYKYASGZFF-UHFFFAOYSA-N 0 0 165.240 1.874 10 0 ADAERN Cc1cc2c(c(CO)c1O)CCO2 258093332 573685982 /nfs/dbraw/zinc/68/59/82/573685982.db2.gz WZYDLQMZXRMVPF-UHFFFAOYSA-N 0 0 180.203 1.128 10 0 ADAERN COc1ccc(N)c2c1cnn2C 259556466 573686003 /nfs/dbraw/zinc/68/60/03/573686003.db2.gz UWIMOUICQSUKIB-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN CCN1CC(=O)Nc2c(O)cccc21 259158565 573686010 /nfs/dbraw/zinc/68/60/10/573686010.db2.gz IKKMNVXRLWWZIF-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN C/C=C(/C)[C@@H]1OC[C@H](C)N1C(N)=O 237980387 573686028 /nfs/dbraw/zinc/68/60/28/573686028.db2.gz SKKQJMYIGDLTRD-RGGFDPLPSA-N 0 0 184.239 1.078 10 0 ADAERN COC(=O)/C=C\c1cncn1C(C)C 308421489 573686029 /nfs/dbraw/zinc/68/60/29/573686029.db2.gz ONIRNWWEZGOUEA-PLNGDYQASA-N 0 0 194.234 1.650 10 0 ADAERN O[C@@H](CC1CCC1)c1ccncn1 83840829 573686031 /nfs/dbraw/zinc/68/60/31/573686031.db2.gz XEIGMSHQAQJFOB-JTQLQIEISA-N 0 0 178.235 1.700 10 0 ADAERN C[C@H](O)[C@@H](F)C1CCC1 257847398 573687829 /nfs/dbraw/zinc/68/78/29/573687829.db2.gz QLIPOHZKYLJYKC-CAHLUQPWSA-N 0 0 132.178 1.505 10 0 ADAERN C[C@H](O)[C@@]1(C)C=CCCC1=O 238479613 573687832 /nfs/dbraw/zinc/68/78/32/573687832.db2.gz ZJOGHNCHHDBOSZ-IONNQARKSA-N 0 0 154.209 1.293 10 0 ADAERN CCCc1nc2c([nH]1)C[C@@H](O)CC2 258093640 573687884 /nfs/dbraw/zinc/68/78/84/573687884.db2.gz UPNVNUKSAURZPM-ZETCQYMHSA-N 0 0 180.251 1.212 10 0 ADAERN COCCOC(=O)[C@@H]1C[C@@H]1C(C)C 308421047 573687896 /nfs/dbraw/zinc/68/78/96/573687896.db2.gz OSPCGQAUFIGUHK-RKDXNWHRSA-N 0 0 186.251 1.468 10 0 ADAERN CC(C)[C@@H](CO)C(=O)c1ccc[nH]1 259158559 573687898 /nfs/dbraw/zinc/68/78/98/573687898.db2.gz OQFXWLKZPBOFSP-MRVPVSSYSA-N 0 0 181.235 1.462 10 0 ADAERN O=c1sccn1CC(F)(F)F 122032720 573687900 /nfs/dbraw/zinc/68/79/00/573687900.db2.gz RPBMSKKWCLWDSZ-UHFFFAOYSA-N 0 0 183.154 1.472 10 0 ADAERN COCC1(Cc2noc(C)n2)CC1 308420997 573687912 /nfs/dbraw/zinc/68/79/12/573687912.db2.gz ORZUZFXIPDTJGV-UHFFFAOYSA-N 0 0 182.223 1.347 10 0 ADAERN CC(=O)C(=O)N(C)CCCC(C)C 258880463 573687915 /nfs/dbraw/zinc/68/79/15/573687915.db2.gz GVKJCGQFAQGGHT-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN OC1(c2ccoc2Cl)CC1 236473276 573687925 /nfs/dbraw/zinc/68/79/25/573687925.db2.gz TWFGZSSRKYHEEL-UHFFFAOYSA-N 0 0 158.584 1.914 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H]1[NH2+]C1CC=CC1 236449857 573687930 /nfs/dbraw/zinc/68/79/30/573687930.db2.gz GFOJBFZQDYXAHJ-IUCAKERBSA-N 0 0 181.235 1.158 10 0 ADAERN C/C=C(/C)[C@H]1OC[C@@H](C)N1C(N)=O 237982926 573687945 /nfs/dbraw/zinc/68/79/45/573687945.db2.gz SKKQJMYIGDLTRD-QYPICMNDSA-N 0 0 184.239 1.078 10 0 ADAERN CON[C@H]1CCOC2(CCCC2)C1 86903270 573687960 /nfs/dbraw/zinc/68/79/60/573687960.db2.gz QRPUZBMTULNBNL-VIFPVBQESA-N 0 0 185.267 1.629 10 0 ADAERN CCN1C(=O)CN[C@H]1c1ccccc1 108122637 573687282 /nfs/dbraw/zinc/68/72/82/573687282.db2.gz VYPYUIXSAQVLNB-LLVKDONJSA-N 0 0 190.246 1.137 10 0 ADAERN C[C@@H]1NC(=S)O[C@H]1c1ccccn1 238479317 573687292 /nfs/dbraw/zinc/68/72/92/573687292.db2.gz RNGZWEOQDHFJNS-POYBYMJQSA-N 0 0 194.259 1.416 10 0 ADAERN NNc1nc(C2CCCC2)c[nH]1 259159395 573687339 /nfs/dbraw/zinc/68/73/39/573687339.db2.gz UCTVKULSYVIQDM-UHFFFAOYSA-N 0 0 166.228 1.353 10 0 ADAERN O[C@H](CC1CCC1)c1nc[nH]n1 83840898 573687352 /nfs/dbraw/zinc/68/73/52/573687352.db2.gz OZEIDGWAUBONMM-SSDOTTSWSA-N 0 0 167.212 1.028 10 0 ADAERN C1CCn2c(nnc2[C@@H]2CCOC2)C1 258092041 573687362 /nfs/dbraw/zinc/68/73/62/573687362.db2.gz FKKNDMUSYLKGKV-MRVPVSSYSA-N 0 0 193.250 1.118 10 0 ADAERN O=Cc1cc([C@H]2CCCOC2)on1 259158402 573687369 /nfs/dbraw/zinc/68/73/69/573687369.db2.gz IHYCRCCAOQCPHZ-ZETCQYMHSA-N 0 0 181.191 1.381 10 0 ADAERN Cn1ccnc1-c1cc(N)ccn1 122006603 573687387 /nfs/dbraw/zinc/68/73/87/573687387.db2.gz YJGNXXPWEDCJAI-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN NO[C@H]1CCOC2(CCCCC2)C1 86905386 573687401 /nfs/dbraw/zinc/68/74/01/573687401.db2.gz WYCKAFBOTMSVPE-VIFPVBQESA-N 0 0 185.267 1.759 10 0 ADAERN CC(=O)C[C@H]1CCO[C@]2(CCOC2)C1 86905457 573687408 /nfs/dbraw/zinc/68/74/08/573687408.db2.gz UNYLHYPOMFGNDB-GHMZBOCLSA-N 0 0 198.262 1.551 10 0 ADAERN C[C@@H]1NC(=S)C=C(N(C)C)[C@H]1C 238478888 573687429 /nfs/dbraw/zinc/68/74/29/573687429.db2.gz NWVFGHIBBFHNOY-BQBZGAKWSA-N 0 0 184.308 1.387 10 0 ADAERN Nc1c(Cl)noc1[C@H]1CCCO1 257847294 573687438 /nfs/dbraw/zinc/68/74/38/573687438.db2.gz NZTMPAAMENTWFQ-SCSAIBSYSA-N 0 0 188.614 1.762 10 0 ADAERN Cc1ccc(N)c(-c2nnco2)c1 83842853 573687441 /nfs/dbraw/zinc/68/74/41/573687441.db2.gz XCYDEDNNSMIGAT-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN O[C@H](CC1CCC1)[C@H]1CCCO1 83840883 573687450 /nfs/dbraw/zinc/68/74/50/573687450.db2.gz OPIDXHHRDPXLNU-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@H](O)[C@H](C)CC12CC(CO1)C2 716088339 573687468 /nfs/dbraw/zinc/68/74/68/573687468.db2.gz BAJJMUIJQQARAN-XHHQTKHESA-N 0 0 170.252 1.572 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@@H+](C)C(C)C 215644246 573687506 /nfs/dbraw/zinc/68/75/06/573687506.db2.gz QINYAWQQMCUUJQ-YVMONPNESA-N 0 0 171.240 1.358 10 0 ADAERN CCOCCC[C@H](NN)C(C)C 126787572 573687521 /nfs/dbraw/zinc/68/75/21/573687521.db2.gz SFXXJSQGJFGKRW-VIFPVBQESA-N 0 0 174.288 1.291 10 0 ADAERN C[C@H](CO)[C@H](CO)c1ccccc1 223373370 573687527 /nfs/dbraw/zinc/68/75/27/573687527.db2.gz LURPIYVTHVAOOT-KOLCDFICSA-N 0 0 180.247 1.391 10 0 ADAERN CCc1cccc(OC)c1CON 238302136 573687528 /nfs/dbraw/zinc/68/75/28/573687528.db2.gz WYOIFEOACAUFDA-UHFFFAOYSA-N 0 0 181.235 1.648 10 0 ADAERN C/C=C(/NC(C)=O)SC(C)=O 237987487 573687532 /nfs/dbraw/zinc/68/75/32/573687532.db2.gz SXBIWAMKIHWSPB-DAXSKMNVSA-N 0 0 173.237 1.264 10 0 ADAERN Cc1occc1/C=C\[C@H](C)O 321070216 573687538 /nfs/dbraw/zinc/68/75/38/573687538.db2.gz NOZXDRQVYMNXNM-AVALRIAPSA-N 0 0 152.193 1.982 10 0 ADAERN Cc1ccsc1[C@@H](C(N)=O)N(C)C 259158792 573687546 /nfs/dbraw/zinc/68/75/46/573687546.db2.gz LMPKVPCXQFVWIN-ZETCQYMHSA-N 0 0 198.291 1.145 10 0 ADAERN CCOCCC[C@@H](NN)C(C)C 126787811 573687562 /nfs/dbraw/zinc/68/75/62/573687562.db2.gz SFXXJSQGJFGKRW-SECBINFHSA-N 0 0 174.288 1.291 10 0 ADAERN OC[C@@H]1CCO[C@]2(CCSC2)C1 86908031 573687598 /nfs/dbraw/zinc/68/75/98/573687598.db2.gz KFWFWXZUTRYOBP-RKDXNWHRSA-N 0 0 188.292 1.281 10 0 ADAERN CC(C)(C[NH2+]CC(=O)[O-])C1CCCC1 258880204 573687611 /nfs/dbraw/zinc/68/76/11/573687611.db2.gz LXLRIGLXCXYRBJ-UHFFFAOYSA-N 0 0 199.294 1.877 10 0 ADAERN OC1(c2cncs2)CC1 236473557 573687621 /nfs/dbraw/zinc/68/76/21/573687621.db2.gz BHQOJBJIXGNEMW-UHFFFAOYSA-N 0 0 141.195 1.125 10 0 ADAERN C[C@H]1CN[C@@]2(N1)Sc1ccccc12 238478865 573687634 /nfs/dbraw/zinc/68/76/34/573687634.db2.gz PSQSHJSHRBQKGP-XVKPBYJWSA-N 0 0 192.287 1.484 10 0 ADAERN C[C@@H]1NC(=S)O[C@H]1c1ccncc1 238479335 573687648 /nfs/dbraw/zinc/68/76/48/573687648.db2.gz KXNILGFSTMYHFX-POYBYMJQSA-N 0 0 194.259 1.416 10 0 ADAERN CC(=O)C[C@]12C[C@H](C)OC[C@H]1C2 238478840 573687664 /nfs/dbraw/zinc/68/76/64/573687664.db2.gz YZUXBNCATJNRMK-IVZWLZJFSA-N 0 0 168.236 1.781 10 0 ADAERN Cn1ncc([C@@H](O)CC2CCC2)c1N 83840901 573687699 /nfs/dbraw/zinc/68/76/99/573687699.db2.gz PSUARHWLBLFFNQ-VIFPVBQESA-N 0 0 195.266 1.226 10 0 ADAERN CSCCCn1cc(C=O)cn1 130856986 573687712 /nfs/dbraw/zinc/68/77/12/573687712.db2.gz RZODRLNIYWLGTR-UHFFFAOYSA-N 0 0 184.264 1.449 10 0 ADAERN COCc1ccc(/C=C\CO)cc1 211961036 573687714 /nfs/dbraw/zinc/68/77/14/573687714.db2.gz VDNOIBPLNJHRJR-IHWYPQMZSA-N 0 0 178.231 1.839 10 0 ADAERN Brc1ncn(C2CC2)n1 237982240 573687715 /nfs/dbraw/zinc/68/77/15/573687715.db2.gz VGBGYXBQQDJFBZ-UHFFFAOYSA-N 0 0 188.028 1.376 10 0 ADAERN Cc1nnc(-c2cccs2)c(N)n1 259170021 573687733 /nfs/dbraw/zinc/68/77/33/573687733.db2.gz LLUQEFITMJDGGK-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC[C@H](C)ONC(=O)/C=C/C1CC1 308417759 573687745 /nfs/dbraw/zinc/68/77/45/573687745.db2.gz NQXZFJGJTFQFEH-CZEYKFRCSA-N 0 0 183.251 1.799 10 0 ADAERN Cc1cc(O)ccc1[C@@](C)(F)CO 257847402 573687752 /nfs/dbraw/zinc/68/77/52/573687752.db2.gz QLJBWOTWWBTYRW-JTQLQIEISA-N 0 0 184.210 1.878 10 0 ADAERN C[C@@H]1CC(=O)N(c2cccc(O)c2)N1 257847312 573687782 /nfs/dbraw/zinc/68/77/82/573687782.db2.gz OAKZDLZYMKHLBN-SSDOTTSWSA-N 0 0 192.218 1.022 10 0 ADAERN OC1CCC(NOC2CCCC2)CC1 236468321 573687796 /nfs/dbraw/zinc/68/77/96/573687796.db2.gz JQQREPNJUSDHTD-UHFFFAOYSA-N 0 0 199.294 1.754 10 0 ADAERN CC(=O)[C@@H]1CCO[C@]2(CCOC2)C1 86909088 573687807 /nfs/dbraw/zinc/68/78/07/573687807.db2.gz JPSHWRWLQHAWHC-NXEZZACHSA-N 0 0 184.235 1.161 10 0 ADAERN Cc1ccc(Cl)c(C(O)O)c1F 238479469 573687826 /nfs/dbraw/zinc/68/78/26/573687826.db2.gz NINTZLNNRVKYKG-UHFFFAOYSA-N 0 0 190.601 1.771 10 0 ADAERN C[C@@H]1Nc2c(F)cccc2OC1=O 259161921 573690515 /nfs/dbraw/zinc/69/05/15/573690515.db2.gz ILQWLIBCVIAHBU-YFKPBYRVSA-N 0 0 181.166 1.545 10 0 ADAERN O=C1N=C(c2cc[nH]c2)CS1 259160794 573690533 /nfs/dbraw/zinc/69/05/33/573690533.db2.gz IQRHTPDIWZIFLL-UHFFFAOYSA-N 0 0 166.205 1.844 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@@H+](C)CC(C)C 215653701 573690541 /nfs/dbraw/zinc/69/05/41/573690541.db2.gz HUKLRYMDXKPTDY-UITAMQMPSA-N 0 0 185.267 1.605 10 0 ADAERN Nc1n[nH]cc1-c1cc(O)ccc1F 258093612 573690543 /nfs/dbraw/zinc/69/05/43/573690543.db2.gz OGEMTZIJXBCAIO-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN CC[N@@H+]1CCC(C)(C)[C@H](C(=O)[O-])C1 259170673 573690548 /nfs/dbraw/zinc/69/05/48/573690548.db2.gz GUAMOQUJADJNKF-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN Cc1cc(O)ccc1[C@](C)(F)CO 257847403 573690577 /nfs/dbraw/zinc/69/05/77/573690577.db2.gz QLJBWOTWWBTYRW-SNVBAGLBSA-N 0 0 184.210 1.878 10 0 ADAERN CSc1nnc([C@@H]2CCCCN2)o1 259160571 573690580 /nfs/dbraw/zinc/69/05/80/573690580.db2.gz KDOBXSLUUJXIGG-LURJTMIESA-N 0 0 199.279 1.606 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)cc(O)c2[C@H](C)O1 238479466 573690615 /nfs/dbraw/zinc/69/06/15/573690615.db2.gz DUGOKSLCTRHAMU-WDSKDSINSA-N 0 0 195.218 1.103 10 0 ADAERN CCCCC[NH2+][C@H]1C[C@H]1C(=O)[O-] 259170990 573690636 /nfs/dbraw/zinc/69/06/36/573690636.db2.gz GVYAVVBURUBNGH-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H](O)[C@@](C)(O)C1=CCCC1 238478999 573690637 /nfs/dbraw/zinc/69/06/37/573690637.db2.gz XIQYUIRIXSCEJS-IONNQARKSA-N 0 0 156.225 1.229 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@@H+](C)C1CCCC1 215649405 573690642 /nfs/dbraw/zinc/69/06/42/573690642.db2.gz ZALZMHWUCOLETN-CLFYSBASSA-N 0 0 197.278 1.892 10 0 ADAERN O[C@@]1([C@H]2CCCOC2)CCSC1 224974251 573690669 /nfs/dbraw/zinc/69/06/69/573690669.db2.gz LFBMFMMFUBDZEQ-IUCAKERBSA-N 0 0 188.292 1.281 10 0 ADAERN CSCC[C@@H](O)c1cc[nH]c1 259162688 573690687 /nfs/dbraw/zinc/69/06/87/573690687.db2.gz NTRAOUPXHLMQAO-MRVPVSSYSA-N 0 0 171.265 1.801 10 0 ADAERN O=C(OCC1CC1)[C@H]1CCC[C@H]1O 308416808 573690698 /nfs/dbraw/zinc/69/06/98/573690698.db2.gz RAVXNJMLWBAZQD-DTWKUNHWSA-N 0 0 184.235 1.101 10 0 ADAERN C/C(Br)=C(\F)CO 223255997 573690712 /nfs/dbraw/zinc/69/07/12/573690712.db2.gz RPJUCLFAUUMDEN-ONEGZZNKSA-N 0 0 168.993 1.575 10 0 ADAERN CSc1nnc([C@H]2CCCCN2)o1 259160572 573690754 /nfs/dbraw/zinc/69/07/54/573690754.db2.gz KDOBXSLUUJXIGG-ZCFIWIBFSA-N 0 0 199.279 1.606 10 0 ADAERN CCN(C[C@H](C)O)C(=O)CC(C)C 308417036 573690755 /nfs/dbraw/zinc/69/07/55/573690755.db2.gz NKDOZONUZWQHMF-VIFPVBQESA-N 0 0 187.283 1.262 10 0 ADAERN CC(C)[C@H](CCc1ccncc1)NN 126829912 573690767 /nfs/dbraw/zinc/69/07/67/573690767.db2.gz BPXPTNMRDFJLIT-NSHDSACASA-N 0 0 193.294 1.502 10 0 ADAERN CSCC[C@H](O)c1cc[nH]c1 259162689 573690776 /nfs/dbraw/zinc/69/07/76/573690776.db2.gz NTRAOUPXHLMQAO-QMMMGPOBSA-N 0 0 171.265 1.801 10 0 ADAERN O=C(OCC1CC1)[C@H]1CCC[C@@H]1O 308416816 573690788 /nfs/dbraw/zinc/69/07/88/573690788.db2.gz RAVXNJMLWBAZQD-IUCAKERBSA-N 0 0 184.235 1.101 10 0 ADAERN CC[C@H](CO)CCCC(=O)OC 238307216 573690802 /nfs/dbraw/zinc/69/08/02/573690802.db2.gz VYIDDFQPXBFDFX-QMMMGPOBSA-N 0 0 174.240 1.348 10 0 ADAERN OC1CCC(Nn2cccc2)CC1 236470681 573690807 /nfs/dbraw/zinc/69/08/07/573690807.db2.gz IXFLZQPXGOPFJI-UHFFFAOYSA-N 0 0 180.251 1.335 10 0 ADAERN CC1(C)C/C(=C\CO)CCC1=O 224569875 573690818 /nfs/dbraw/zinc/69/08/18/573690818.db2.gz SFAGVUQNPQNVAJ-YVMONPNESA-N 0 0 168.236 1.684 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)[C@H]2C[C@@H]2C)C1 308422265 573690819 /nfs/dbraw/zinc/69/08/19/573690819.db2.gz PBJABYUSJQCUDS-MAUMQABQSA-N 0 0 184.235 1.363 10 0 ADAERN COCCOC(=O)[C@@H]1C[C@H]1C(C)C 308421039 573690822 /nfs/dbraw/zinc/69/08/22/573690822.db2.gz OSPCGQAUFIGUHK-DTWKUNHWSA-N 0 0 186.251 1.468 10 0 ADAERN CCC[C@@H]([NH3+])C[C@H](C)C(=O)[O-] 259162991 573690852 /nfs/dbraw/zinc/69/08/52/573690852.db2.gz DOZWQVARVDJYFD-NKWVEPMBSA-N 0 0 159.229 1.225 10 0 ADAERN C[C@@H](O)[C@H](F)C1CCC1 257847401 573690857 /nfs/dbraw/zinc/69/08/57/573690857.db2.gz QLIPOHZKYLJYKC-VDTYLAMSSA-N 0 0 132.178 1.505 10 0 ADAERN CCNc1cncc(N)c1 122064443 573690866 /nfs/dbraw/zinc/69/08/66/573690866.db2.gz USOUQAYSUVOENA-UHFFFAOYSA-N 0 0 137.186 1.096 10 0 ADAERN CC(C)[C@@H](CCc1ccncc1)NN 126829735 573690867 /nfs/dbraw/zinc/69/08/67/573690867.db2.gz BPXPTNMRDFJLIT-LLVKDONJSA-N 0 0 193.294 1.502 10 0 ADAERN COc1cc(C=O)c2nn(C)cc2c1 259558677 573690885 /nfs/dbraw/zinc/69/08/85/573690885.db2.gz VARVQLYJQILOMY-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN C/C=C/C(=O)N(C)CC 83860777 573690895 /nfs/dbraw/zinc/69/08/95/573690895.db2.gz KMJRDOJYALQIFZ-GQCTYLIASA-N 0 0 127.187 1.041 10 0 ADAERN C[C@](O)(CCCO)c1ccccn1 259161776 573690911 /nfs/dbraw/zinc/69/09/11/573690911.db2.gz GKVKOWXGRNTJTM-JTQLQIEISA-N 0 0 181.235 1.062 10 0 ADAERN Nc1nc(C2CCCC2)ncc1C=O 258881862 573690913 /nfs/dbraw/zinc/69/09/13/573690913.db2.gz XTQPRLYTCJDYGL-UHFFFAOYSA-N 0 0 191.234 1.529 10 0 ADAERN C[C@H](CC[NH2+]CC1CCCC1)C(=O)[O-] 258881595 573690918 /nfs/dbraw/zinc/69/09/18/573690918.db2.gz MBCVVDYGSHGKDA-SECBINFHSA-N 0 0 199.294 1.877 10 0 ADAERN C=C/C=C\[C@H](C(=O)OC)[C@@H](O)CC 393550052 573690925 /nfs/dbraw/zinc/69/09/25/573690925.db2.gz WNADQKBCPGWKIU-YYRDVDDBSA-N 0 0 184.235 1.289 10 0 ADAERN CCc1ccnc([C@@H](CO)C(C)C)n1 259171031 573690926 /nfs/dbraw/zinc/69/09/26/573690926.db2.gz UEXPOOXPSIYRRG-JTQLQIEISA-N 0 0 194.278 1.771 10 0 ADAERN c1cnc2cnc3c(c2c1)CCO3 237991043 573690928 /nfs/dbraw/zinc/69/09/28/573690928.db2.gz UVCYXBHUKIKNRB-UHFFFAOYSA-N 0 0 172.187 1.565 10 0 ADAERN COc1nnc(CC(C)C)cc1N 258085365 573690931 /nfs/dbraw/zinc/69/09/31/573690931.db2.gz WXDLSGYYJVQQLC-UHFFFAOYSA-N 0 0 181.239 1.266 10 0 ADAERN CCCCC[C@]1(C(=O)[O-])CCC[NH2+]1 215647805 573690962 /nfs/dbraw/zinc/69/09/62/573690962.db2.gz CCSKQDKLICNUES-SNVBAGLBSA-N 0 0 185.267 1.774 10 0 ADAERN COc1cnccc1[C@@H](NN)C(C)C 126832191 573690971 /nfs/dbraw/zinc/69/09/71/573690971.db2.gz WXEKFDDHUBAZPG-JTQLQIEISA-N 0 0 195.266 1.251 10 0 ADAERN CC(=O)c1cc(C)c(C(C)=O)[nH]1 223258442 573690985 /nfs/dbraw/zinc/69/09/85/573690985.db2.gz GHMFBOVUCUXKCD-UHFFFAOYSA-N 0 0 165.192 1.728 10 0 ADAERN CC[C@@H](C)C[C@H](C)NC=O 83868522 573690990 /nfs/dbraw/zinc/69/09/90/573690990.db2.gz HYTNYTIBGWPYSA-SFYZADRCSA-N 0 0 143.230 1.557 10 0 ADAERN CC[N@@H+]1CCC[C@@H](CC(=O)[O-])C1(C)C 259162201 573691000 /nfs/dbraw/zinc/69/10/00/573691000.db2.gz AFGAURDMNIXXAF-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H]([NH2+][C@H]1C[C@@H]1C1CC1)c1ncc[nH]1 308677639 573691012 /nfs/dbraw/zinc/69/10/12/573691012.db2.gz WOSNUUOCVOMALP-SFGNSQDASA-N 0 0 191.278 1.859 10 0 ADAERN CCC[C@@H]([NH3+])C[C@@H](C)C(=O)[O-] 259162995 573691030 /nfs/dbraw/zinc/69/10/30/573691030.db2.gz DOZWQVARVDJYFD-RNFRBKRXSA-N 0 0 159.229 1.225 10 0 ADAERN CN(CCC(F)(F)F)C(N)=S 83879408 573691052 /nfs/dbraw/zinc/69/10/52/573691052.db2.gz DXWVKUZNLSXSJN-UHFFFAOYSA-N 0 0 186.202 1.114 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CC[C@@H](C)C1 215639948 573691099 /nfs/dbraw/zinc/69/10/99/573691099.db2.gz DQAAZYYKIHZOGX-CPJBWDMUSA-N 0 0 183.251 1.359 10 0 ADAERN CC[N@@H+]1CCC[C@H](CC(=O)[O-])C1(C)C 259162199 573691115 /nfs/dbraw/zinc/69/11/15/573691115.db2.gz AFGAURDMNIXXAF-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CN(c1ncncc1N)C1CCCC1 86919343 573691135 /nfs/dbraw/zinc/69/11/35/573691135.db2.gz ZNNLTWLRJNEBGA-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H](O)[C@@]1(C)CC1(Cl)Cl 238479644 573691806 /nfs/dbraw/zinc/69/18/06/573691806.db2.gz OOACCSVGPIZOCB-CRCLSJGQSA-N 0 0 169.051 1.951 10 0 ADAERN CC[C@H](C)Nc1ncncc1N 86919003 573691810 /nfs/dbraw/zinc/69/18/10/573691810.db2.gz ZPDQTEBKAWCXFN-LURJTMIESA-N 0 0 166.228 1.269 10 0 ADAERN C[C@H](C(=O)[O-])[N@@H+](C1CCCC1)C1CC1 308674783 573691811 /nfs/dbraw/zinc/69/18/11/573691811.db2.gz VWYSJNLCEZSIDY-MRVPVSSYSA-N 0 0 197.278 1.867 10 0 ADAERN Cc1c(CO)nc2c(Cl)cccn12 224571991 573692395 /nfs/dbraw/zinc/69/23/95/573692395.db2.gz OLLRXVGIYSUHSX-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@@H]1C[C@H](O)CCO1 714727814 573692397 /nfs/dbraw/zinc/69/23/97/573692397.db2.gz ZRSAYPQXANQRDC-IMSYWVGJSA-N 0 0 170.252 1.572 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@@H]1C 215630039 573692400 /nfs/dbraw/zinc/69/24/00/573692400.db2.gz BGHQRKUUMDJGPV-XZLDQRQTSA-N 0 0 183.251 1.502 10 0 ADAERN CC[C@H](C)C[C@@H](C)NC=O 83868520 573692405 /nfs/dbraw/zinc/69/24/05/573692405.db2.gz HYTNYTIBGWPYSA-JGVFFNPUSA-N 0 0 143.230 1.557 10 0 ADAERN OCc1cccnc1OCC(F)F 130730182 573692428 /nfs/dbraw/zinc/69/24/28/573692428.db2.gz ACFQMEBLHMIVBF-UHFFFAOYSA-N 0 0 189.161 1.218 10 0 ADAERN CC(=O)[C@H](O)C1=CC[C@@H](C)CC1 238479867 573692443 /nfs/dbraw/zinc/69/24/43/573692443.db2.gz WIZXAVDOXXKVAN-XCBNKYQSSA-N 0 0 168.236 1.683 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CCCC[C@H]1C 215634444 573692444 /nfs/dbraw/zinc/69/24/44/573692444.db2.gz DBAJBLAHBWTURW-UJICNMFASA-N 0 0 197.278 1.892 10 0 ADAERN CCc1ccnc([C@H](CO)C(C)C)n1 259171034 573692447 /nfs/dbraw/zinc/69/24/47/573692447.db2.gz UEXPOOXPSIYRRG-SNVBAGLBSA-N 0 0 194.278 1.771 10 0 ADAERN CNC(=O)NCC[C@@H](C)SC 122061195 573691825 /nfs/dbraw/zinc/69/18/25/573691825.db2.gz DPIUWDGHHAQXMZ-ZCFIWIBFSA-N 0 0 176.285 1.057 10 0 ADAERN CCCc1nc2c([nH]1)C[C@H](O)CC2 258093635 573691827 /nfs/dbraw/zinc/69/18/27/573691827.db2.gz UPNVNUKSAURZPM-SSDOTTSWSA-N 0 0 180.251 1.212 10 0 ADAERN Cc1oc(CN)nc1[C@@H]1CCCCO1 258085231 573691836 /nfs/dbraw/zinc/69/18/36/573691836.db2.gz MRVOWMYSGKVROE-QMMMGPOBSA-N 0 0 196.250 1.683 10 0 ADAERN COc1c(F)cccc1[C@H](C)CO 257851080 573691844 /nfs/dbraw/zinc/69/18/44/573691844.db2.gz RQFWGOFFZFTYQJ-SSDOTTSWSA-N 0 0 184.210 1.930 10 0 ADAERN CCC(C)(C)Nc1ncncc1N 86919160 573691847 /nfs/dbraw/zinc/69/18/47/573691847.db2.gz IGDWNUNLSODXOX-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN OCCc1coc([C@@H]2CCSC2)n1 258085025 573691855 /nfs/dbraw/zinc/69/18/55/573691855.db2.gz MOZVFXLZUFNSGF-SSDOTTSWSA-N 0 0 199.275 1.430 10 0 ADAERN CC(C)=CC[NH2+]CC1(C)OCCCO1 308677025 573691864 /nfs/dbraw/zinc/69/18/64/573691864.db2.gz WMYREUGHJROCAO-UHFFFAOYSA-N 0 0 199.294 1.695 10 0 ADAERN COC[C@H](C)C[C@@H](NN)C(C)C 126835935 573691865 /nfs/dbraw/zinc/69/18/65/573691865.db2.gz YTHKROCDNQORMO-RKDXNWHRSA-N 0 0 174.288 1.147 10 0 ADAERN Cc1cc2c(cc1C(=O)C=O)OCO2 259163973 573691870 /nfs/dbraw/zinc/69/18/70/573691870.db2.gz LXVMRQPGVOJOFN-UHFFFAOYSA-N 0 0 192.170 1.105 10 0 ADAERN O=C(CCCO)Nc1ccccc1O 236485036 573691873 /nfs/dbraw/zinc/69/18/73/573691873.db2.gz YTIDATLSFYUFGJ-UHFFFAOYSA-N 0 0 195.218 1.103 10 0 ADAERN NN=c1[nH]c(C2CCOCC2)cs1 259164746 573691876 /nfs/dbraw/zinc/69/18/76/573691876.db2.gz FYTXCVWEANSRML-UHFFFAOYSA-N 0 0 199.279 1.323 10 0 ADAERN Cn1cc(C2CCCCC2)c(CO)n1 257851115 573691878 /nfs/dbraw/zinc/69/18/78/573691878.db2.gz RRGZVEOLXRXQDY-UHFFFAOYSA-N 0 0 194.278 1.960 10 0 ADAERN CC(C)[C@H](CO)CC12CC(CO1)C2 716104781 573691890 /nfs/dbraw/zinc/69/18/90/573691890.db2.gz BEZJIWMLHLQAAE-YVNMAJEFSA-N 0 0 184.279 1.820 10 0 ADAERN C[C@H]([C@@H](O)c1ccccc1)N(C)C#N 238479652 573691900 /nfs/dbraw/zinc/69/19/00/573691900.db2.gz CXSRYKFZSZDWNK-MWLCHTKSSA-N 0 0 190.246 1.521 10 0 ADAERN Cc1ccnn1[Si](C)(C)C 238479696 573691906 /nfs/dbraw/zinc/69/19/06/573691906.db2.gz KVAOPJXNFWHFMH-UHFFFAOYSA-N 0 0 154.289 1.875 10 0 ADAERN CO[C@H](C)CC[C@@H](NN)C(C)C 126807876 573691913 /nfs/dbraw/zinc/69/19/13/573691913.db2.gz BQUMOQJEDNGFFB-RKDXNWHRSA-N 0 0 174.288 1.289 10 0 ADAERN C/C=C/C(=O)N(C)[C@@H](C)CC 83860787 573691928 /nfs/dbraw/zinc/69/19/28/573691928.db2.gz LSFXSARKSJMPQM-IVGLGHLBSA-N 0 0 155.241 1.819 10 0 ADAERN CCC[C@H]([NH3+])C[C@@H](C)C(=O)[O-] 259162999 573691932 /nfs/dbraw/zinc/69/19/32/573691932.db2.gz DOZWQVARVDJYFD-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN CC(C)(C)OC(=O)C=C1CCCN1 223254368 573691936 /nfs/dbraw/zinc/69/19/36/573691936.db2.gz JRYCALASOIGEOL-FPLPWBNLSA-N 0 0 183.251 1.595 10 0 ADAERN C[C@H]1CC[C@H](Cn2cnc(C=O)c2)O1 235638007 573691945 /nfs/dbraw/zinc/69/19/45/573691945.db2.gz DINQORLGLQVWIL-WCBMZHEXSA-N 0 0 194.234 1.263 10 0 ADAERN CCn1nc(CO)c2c1CC[C@]2(C)F 257850908 573691978 /nfs/dbraw/zinc/69/19/78/573691978.db2.gz MRJIQYPILQHTBC-JTQLQIEISA-N 0 0 198.241 1.526 10 0 ADAERN Cc1ccc(C2NCCCN2)cc1 238479781 573691992 /nfs/dbraw/zinc/69/19/92/573691992.db2.gz HPPYJJIBWUSTAR-UHFFFAOYSA-N 0 0 176.263 1.577 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CCCC[C@@H]1C 215634497 573691994 /nfs/dbraw/zinc/69/19/94/573691994.db2.gz DBAJBLAHBWTURW-RNKPRXRFSA-N 0 0 197.278 1.892 10 0 ADAERN CCCCC[NH2+][C@H]1C[C@@H]1C(=O)[O-] 259170994 573691995 /nfs/dbraw/zinc/69/19/95/573691995.db2.gz GVYAVVBURUBNGH-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN CO[C@H](C)CC[C@H](NN)C(C)C 126808114 573691998 /nfs/dbraw/zinc/69/19/98/573691998.db2.gz BQUMOQJEDNGFFB-BDAKNGLRSA-N 0 0 174.288 1.289 10 0 ADAERN C[C@H]1CCN(c2nnc(N)o2)C[C@@H]1C 235637721 573692001 /nfs/dbraw/zinc/69/20/01/573692001.db2.gz UQYUBJONPZJGCZ-BQBZGAKWSA-N 0 0 196.254 1.134 10 0 ADAERN COCCCc1cc(C(C)=O)n(C)n1 259162060 573692005 /nfs/dbraw/zinc/69/20/05/573692005.db2.gz IOTAZVHHLAWTTQ-UHFFFAOYSA-N 0 0 196.250 1.202 10 0 ADAERN CN[C@H](C(C)=O)c1cc(F)ccc1F 259161496 573692006 /nfs/dbraw/zinc/69/20/06/573692006.db2.gz CWUCAYNMZPLHGL-SNVBAGLBSA-N 0 0 199.200 1.814 10 0 ADAERN C[C@@H]1CCCCN1c1ncncc1N 86918872 573692039 /nfs/dbraw/zinc/69/20/39/573692039.db2.gz AURHFFOZICUZHG-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN COc1ccc(F)cc1NCC(C)=O 258883531 573692041 /nfs/dbraw/zinc/69/20/41/573692041.db2.gz IJABZUIXZHAXEP-UHFFFAOYSA-N 0 0 197.209 1.835 10 0 ADAERN CCO[C@@H](C)O[C@@H](C)CC(C)=O 238306763 573692050 /nfs/dbraw/zinc/69/20/50/573692050.db2.gz DGSPKQYLBBVTIR-DTWKUNHWSA-N 0 0 174.240 1.753 10 0 ADAERN O=Cc1cc([C@@H]2CCSC2)n[nH]1 257847153 573692088 /nfs/dbraw/zinc/69/20/88/573692088.db2.gz ALIUVEPBCOWRFH-ZCFIWIBFSA-N 0 0 182.248 1.443 10 0 ADAERN CC[C@@H](C)C[C@H](C)NC(N)=S 83865472 573692098 /nfs/dbraw/zinc/69/20/98/573692098.db2.gz FSAPAFJHPQAWAN-RQJHMYQMSA-N 0 0 174.313 1.644 10 0 ADAERN CC(=O)[C@H](C)[C@@H](O)c1ccncc1 238479893 573692108 /nfs/dbraw/zinc/69/21/08/573692108.db2.gz MRWVXWXQHMJOBQ-OIBJUYFYSA-N 0 0 179.219 1.340 10 0 ADAERN OCc1cc2c(F)cccc2[nH]1 258085403 573692126 /nfs/dbraw/zinc/69/21/26/573692126.db2.gz QUQQAAMLXAENRJ-UHFFFAOYSA-N 0 0 165.167 1.799 10 0 ADAERN C[C@H](O)c1ccc(F)c2c1OCCO2 258093606 573692150 /nfs/dbraw/zinc/69/21/50/573692150.db2.gz OGBYHAYWLQYCEV-LURJTMIESA-N 0 0 198.193 1.650 10 0 ADAERN C/C=C/C(=O)N1C[C@@H](C)OC[C@H]1C 83860772 573692171 /nfs/dbraw/zinc/69/21/71/573692171.db2.gz YQUVRFVGLQUPIK-HOMPQPGZSA-N 0 0 183.251 1.198 10 0 ADAERN O=CN1CCC(C(F)(F)F)CC1 83890758 573692179 /nfs/dbraw/zinc/69/21/79/573692179.db2.gz ZQFZAOZCJIMTLZ-UHFFFAOYSA-N 0 0 181.157 1.417 10 0 ADAERN Oc1ccc(CC2(O)CC2)c(O)c1 258093714 573692195 /nfs/dbraw/zinc/69/21/95/573692195.db2.gz XAXQFLFFODVWIA-UHFFFAOYSA-N 0 0 180.203 1.165 10 0 ADAERN O=C([O-])[C@]1(CCC2CC2)CCC[NH2+]1 215628747 573692207 /nfs/dbraw/zinc/69/22/07/573692207.db2.gz CJJRMYDCJXJTFY-SNVBAGLBSA-N 0 0 183.251 1.383 10 0 ADAERN C[C@H](O)[C@@]1(C)CCCCCC1=O 238479830 573692224 /nfs/dbraw/zinc/69/22/24/573692224.db2.gz JDAYXQGPGZVKFH-WCBMZHEXSA-N 0 0 170.252 1.907 10 0 ADAERN CC(C)C[C@H](C)Nc1ncncc1N 86919415 573692227 /nfs/dbraw/zinc/69/22/27/573692227.db2.gz DFPZZYWKBNFXSG-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN O[C@H]1CCC[C@@H]1CCOCC(F)F 130748653 573692257 /nfs/dbraw/zinc/69/22/57/573692257.db2.gz VNSWSAHKKBVGKY-SFYZADRCSA-N 0 0 194.221 1.819 10 0 ADAERN Cc1ccc(-c2ncc[nH]2)[nH]1 238479870 573692261 /nfs/dbraw/zinc/69/22/61/573692261.db2.gz UOVJQCMLYSSCQY-UHFFFAOYSA-N 0 0 147.181 1.713 10 0 ADAERN C[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CC1CC1 235638464 573692271 /nfs/dbraw/zinc/69/22/71/573692271.db2.gz NDQJDFFIXZIZPT-WCBMZHEXSA-N 0 0 197.278 1.582 10 0 ADAERN COC(=O)[C@@H](c1cccs1)N(C)C 259163379 573692275 /nfs/dbraw/zinc/69/22/75/573692275.db2.gz VSJLYGPPOZWFQV-MRVPVSSYSA-N 0 0 199.275 1.524 10 0 ADAERN CC[C@@H](C)C[C@@H](C)NC(N)=S 83865470 573692281 /nfs/dbraw/zinc/69/22/81/573692281.db2.gz FSAPAFJHPQAWAN-RNFRBKRXSA-N 0 0 174.313 1.644 10 0 ADAERN C[C@H]1CCC(NC=O)CC[C@@H]1C 238479639 573692282 /nfs/dbraw/zinc/69/22/82/573692282.db2.gz NWDRVGHPQDFINW-IUCAKERBSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@H](O)[C@@]1(C)CC12CC2 238479662 573692292 /nfs/dbraw/zinc/69/22/92/573692292.db2.gz UMZZHYYSOAUMFD-NKWVEPMBSA-N 0 0 126.199 1.557 10 0 ADAERN OCc1cnoc1C[C@H]1CCCCO1 259161952 573692308 /nfs/dbraw/zinc/69/23/08/573692308.db2.gz IMCFLEYPDHUHPT-SECBINFHSA-N 0 0 197.234 1.279 10 0 ADAERN C[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\C(=O)[O-] 308418918 573692324 /nfs/dbraw/zinc/69/23/24/573692324.db2.gz VEFHQXYHSIJLRS-KJJJKSGUSA-N 0 0 197.278 1.653 10 0 ADAERN O[C@H]1CCC[C@H]1CCOCC(F)F 130748837 573692325 /nfs/dbraw/zinc/69/23/25/573692325.db2.gz VNSWSAHKKBVGKY-YUMQZZPRSA-N 0 0 194.221 1.819 10 0 ADAERN O=C1CNc2c(F)cccc2S1 257847160 573692331 /nfs/dbraw/zinc/69/23/31/573692331.db2.gz ALQGXXMOJSATFC-UHFFFAOYSA-N 0 0 183.207 1.870 10 0 ADAERN Nc1cccc2c1NCCCO2 259162072 573692347 /nfs/dbraw/zinc/69/23/47/573692347.db2.gz IPEYQYKLHFSKNW-UHFFFAOYSA-N 0 0 164.208 1.463 10 0 ADAERN C[C@@H]1CC=C([C@@H](O)CO)CC1 238479906 573692353 /nfs/dbraw/zinc/69/23/53/573692353.db2.gz AVAYPJBDLQQZML-APPZFPTMSA-N 0 0 156.225 1.086 10 0 ADAERN CCCCC[NH2+][C@@H]1C[C@@H]1C(=O)[O-] 259170987 573692354 /nfs/dbraw/zinc/69/23/54/573692354.db2.gz GVYAVVBURUBNGH-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN CCC(CC)Nc1ncncc1N 86919009 573692355 /nfs/dbraw/zinc/69/23/55/573692355.db2.gz WIRQQODKFQIDBJ-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1ncncc1N 86919891 573692363 /nfs/dbraw/zinc/69/23/63/573692363.db2.gz HGVXMPQEJLDOGU-YUMQZZPRSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@H]1CC(=O)c2ccccc2[C@H]1O 238479889 573691773 /nfs/dbraw/zinc/69/17/73/573691773.db2.gz ZSFNOECAMLAFMB-CPCISQLKSA-N 0 0 176.215 1.943 10 0 ADAERN c1csc(-c2nnc3n2CCN3)c1 237992266 573692987 /nfs/dbraw/zinc/69/29/87/573692987.db2.gz OFHTZZDRHRFLNL-UHFFFAOYSA-N 0 0 192.247 1.432 10 0 ADAERN CO[C@H](C)CC(=O)O[C@@]1(C)C[C@@H]1C 308417894 573692988 /nfs/dbraw/zinc/69/29/88/573692988.db2.gz NTXONRQJNNGMBM-XKSSXDPKSA-N 0 0 186.251 1.753 10 0 ADAERN COc1ccc(C2(O)CC2)c(O)c1 258093847 573692997 /nfs/dbraw/zinc/69/29/97/573692997.db2.gz XBIHSHIXWGQVNQ-UHFFFAOYSA-N 0 0 180.203 1.382 10 0 ADAERN Cn1cc(-c2ccc(N)cc2)cc1N 258084823 573693004 /nfs/dbraw/zinc/69/30/04/573693004.db2.gz IWJRHCWTSSOWKD-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN COC(=O)[C@H](c1cccs1)N(C)C 259163384 573693006 /nfs/dbraw/zinc/69/30/06/573693006.db2.gz VSJLYGPPOZWFQV-QMMMGPOBSA-N 0 0 199.275 1.524 10 0 ADAERN CCN1CCC(C)(C)C(=O)C1 258883134 573693013 /nfs/dbraw/zinc/69/30/13/573693013.db2.gz STEZIRFUOHHJKR-UHFFFAOYSA-N 0 0 155.241 1.307 10 0 ADAERN CC[C@@H](C)Nc1ncncc1N 86919001 573693015 /nfs/dbraw/zinc/69/30/15/573693015.db2.gz ZPDQTEBKAWCXFN-ZCFIWIBFSA-N 0 0 166.228 1.269 10 0 ADAERN c1cc2c(N3CCCC3)[nH]ncc-2n1 237993395 573693624 /nfs/dbraw/zinc/69/36/24/573693624.db2.gz YHIRPTXUBVLYQN-UHFFFAOYSA-N 0 0 188.234 1.558 10 0 ADAERN CC(C)CC[C@H](O)c1cnn(C)n1 393549932 573693642 /nfs/dbraw/zinc/69/36/42/573693642.db2.gz VPBKOTSOTLNYJK-VIFPVBQESA-N 0 0 183.255 1.285 10 0 ADAERN C[C@H](O)CCCOCC(F)F 130746670 573693649 /nfs/dbraw/zinc/69/36/49/573693649.db2.gz QNMCXAOZJQNIHQ-LURJTMIESA-N 0 0 168.183 1.429 10 0 ADAERN O[C@]1(C(F)F)C[C@H]2CC[C@@H]1C2 126723324 573693668 /nfs/dbraw/zinc/69/36/68/573693668.db2.gz VWHVHRYVKZDEHO-SHYZEUOFSA-N 0 0 162.179 1.803 10 0 ADAERN Nc1cncc(NCC(F)(F)F)c1 122077099 573693671 /nfs/dbraw/zinc/69/36/71/573693671.db2.gz BTUVIEFEJNVAQE-UHFFFAOYSA-N 0 0 191.156 1.638 10 0 ADAERN C[C@H]1Cc2cc(C(N)=O)ccc2N1 238481446 573693686 /nfs/dbraw/zinc/69/36/86/573693686.db2.gz JOTFZVHTEZMUIT-LURJTMIESA-N 0 0 176.219 1.142 10 0 ADAERN CO[C@H](C)CC(=O)O[C@]1(C)C[C@H]1C 308417885 573693697 /nfs/dbraw/zinc/69/36/97/573693697.db2.gz NTXONRQJNNGMBM-NQMVMOMDSA-N 0 0 186.251 1.753 10 0 ADAERN CC(=O)Nc1ccnc2c1CCC2 223248206 573693712 /nfs/dbraw/zinc/69/37/12/573693712.db2.gz RCHLJJPPJQAWLA-UHFFFAOYSA-N 0 0 176.219 1.529 10 0 ADAERN CCNc1cncc(N(C)CC)c1 122093205 573693713 /nfs/dbraw/zinc/69/37/13/573693713.db2.gz LFRPOFFXKBKFJC-UHFFFAOYSA-N 0 0 179.267 1.970 10 0 ADAERN Cc1cc(O)cc2c1OCC[C@H]2[NH3+] 238480890 573693737 /nfs/dbraw/zinc/69/37/37/573693737.db2.gz VJOKCITXOHUXDS-SECBINFHSA-N 0 0 179.219 1.483 10 0 ADAERN NCc1nc([C@H]2CCCSC2)no1 258093631 573693020 /nfs/dbraw/zinc/69/30/20/573693020.db2.gz NESHSXRKRMZRSK-LURJTMIESA-N 0 0 199.279 1.139 10 0 ADAERN O[C@@H]1CCC[C@@H]1CCOCC(F)F 130748224 573693037 /nfs/dbraw/zinc/69/30/37/573693037.db2.gz VNSWSAHKKBVGKY-HTQZYQBOSA-N 0 0 194.221 1.819 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1ncncc1N 86920875 573693043 /nfs/dbraw/zinc/69/30/43/573693043.db2.gz ZFGZAKHKWWOFOM-SFYZADRCSA-N 0 0 192.266 1.151 10 0 ADAERN C[C@@H](O)Cc1cc(F)c(O)cc1F 258093614 573693045 /nfs/dbraw/zinc/69/30/45/573693045.db2.gz OGOVUJGBWXRJFM-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN CC[C@H](C)Sc1ncc(CO)cn1 126831113 573693058 /nfs/dbraw/zinc/69/30/58/573693058.db2.gz ANDRKDVSDYXTQX-ZETCQYMHSA-N 0 0 198.291 1.860 10 0 ADAERN C[C@H](C1CC1)N(C)c1ncncc1N 86919572 573693062 /nfs/dbraw/zinc/69/30/62/573693062.db2.gz SSIHGFDSEAGWTB-SSDOTTSWSA-N 0 0 192.266 1.294 10 0 ADAERN CN(C=O)CCC(F)(F)F 83890755 573693071 /nfs/dbraw/zinc/69/30/71/573693071.db2.gz TYJOZNNUAMGGGR-UHFFFAOYSA-N 0 0 155.119 1.027 10 0 ADAERN C[N@H+](Cc1cc[nH]c1)CC1(CO)CC1 258881783 573693084 /nfs/dbraw/zinc/69/30/84/573693084.db2.gz JAQNVLFMLKOXRA-UHFFFAOYSA-N 0 0 194.278 1.219 10 0 ADAERN O=C1OC2(CCC2)CCN1CCCO 257850903 573693087 /nfs/dbraw/zinc/69/30/87/573693087.db2.gz MRHLODJUVZIYMF-UHFFFAOYSA-N 0 0 199.250 1.134 10 0 ADAERN C[C@@H]1CC2(CCCCC2)C(=O)N1 238481884 573693754 /nfs/dbraw/zinc/69/37/54/573693754.db2.gz HLHHYLNBDPSLRZ-MRVPVSSYSA-N 0 0 167.252 1.845 10 0 ADAERN CCN(c1ncncc1N)C1CC1 86919331 573693119 /nfs/dbraw/zinc/69/31/19/573693119.db2.gz AAPKABIJJKLWEY-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN Clc1nncc(C2CCOCC2)n1 257847018 573693135 /nfs/dbraw/zinc/69/31/35/573693135.db2.gz LRVRDURVIHNMKJ-UHFFFAOYSA-N 0 0 199.641 1.419 10 0 ADAERN CC(=O)N(C)Cc1cc(F)ccc1F 258880828 573693149 /nfs/dbraw/zinc/69/31/49/573693149.db2.gz XMZXXQVALSSOBO-UHFFFAOYSA-N 0 0 199.200 1.943 10 0 ADAERN CC(C)CNc1cncc(N)c1 122060846 573693154 /nfs/dbraw/zinc/69/31/54/573693154.db2.gz LAYIEBZSEOLNTC-UHFFFAOYSA-N 0 0 165.240 1.732 10 0 ADAERN OCc1cccc(OCC(F)F)n1 130728812 573693160 /nfs/dbraw/zinc/69/31/60/573693160.db2.gz CKGSAVAVGGUTQG-UHFFFAOYSA-N 0 0 189.161 1.218 10 0 ADAERN COc1ccc2oc(CON)cc2c1 258094345 573693163 /nfs/dbraw/zinc/69/31/63/573693163.db2.gz IDWUYDSTUGPCTJ-UHFFFAOYSA-N 0 0 193.202 1.832 10 0 ADAERN CC[C@H](C)C[C@H](C)NC#N 83864983 573693190 /nfs/dbraw/zinc/69/31/90/573693190.db2.gz DHLZZEKSUSBLGG-YUMQZZPRSA-N 0 0 140.230 1.882 10 0 ADAERN C[C@H](O)Cc1cc(F)c(O)cc1F 258093617 573693203 /nfs/dbraw/zinc/69/32/03/573693203.db2.gz OGOVUJGBWXRJFM-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN N#CNC(=O)c1ccc(F)c(Cl)c1 124900973 573693222 /nfs/dbraw/zinc/69/32/22/573693222.db2.gz VYIYILSLUAWODR-UHFFFAOYSA-N 0 0 198.584 1.690 10 0 ADAERN OCc1cnoc1C[C@@H]1CCCCO1 259161956 573693229 /nfs/dbraw/zinc/69/32/29/573693229.db2.gz IMCFLEYPDHUHPT-VIFPVBQESA-N 0 0 197.234 1.279 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)c1cocc1C 689980296 573693248 /nfs/dbraw/zinc/69/32/48/573693248.db2.gz XZNYCDQRIOSXIV-FXBDTBDDSA-N 0 0 182.219 1.656 10 0 ADAERN C[C@@H](O)c1ccc(N(C)C2CC2)nc1 124902721 573693296 /nfs/dbraw/zinc/69/32/96/573693296.db2.gz VPXFANUOMSXERO-MRVPVSSYSA-N 0 0 192.262 1.734 10 0 ADAERN Cc1oc([C@H](C)N)nc1[C@@H]1CCCO1 258093791 573693331 /nfs/dbraw/zinc/69/33/31/573693331.db2.gz NGVXEIPPAXWREP-XPUUQOCRSA-N 0 0 196.250 1.854 10 0 ADAERN CCCC[C@H](C)[C@@H](O)c1ncn(C)n1 714728047 573693340 /nfs/dbraw/zinc/69/33/40/573693340.db2.gz XLTNOBSEYYEIRH-DTWKUNHWSA-N 0 0 197.282 1.675 10 0 ADAERN Cc1c(C(F)F)cnc(CO)c1F 238481292 573693347 /nfs/dbraw/zinc/69/33/47/573693347.db2.gz ROAJBNNJDOEDQH-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C1=NCC(c2ccccc2)=NN1 237993040 573693349 /nfs/dbraw/zinc/69/33/49/573693349.db2.gz XHDXRUQEDJCEPR-UHFFFAOYSA-N 0 0 159.192 1.022 10 0 ADAERN CC[C@H](C)C[C@H](C)NC=O 83868524 573693363 /nfs/dbraw/zinc/69/33/63/573693363.db2.gz HYTNYTIBGWPYSA-YUMQZZPRSA-N 0 0 143.230 1.557 10 0 ADAERN CC(C)(C)c1nncnc1Cl 259163082 573693368 /nfs/dbraw/zinc/69/33/68/573693368.db2.gz LDFOBDXSJIRYST-UHFFFAOYSA-N 0 0 171.631 1.823 10 0 ADAERN C[C@H]1Cc2cc(C(=O)C=O)ccc2O1 238481298 573693388 /nfs/dbraw/zinc/69/33/88/573693388.db2.gz YYZYSOOJNGPTJA-ZETCQYMHSA-N 0 0 190.198 1.392 10 0 ADAERN Nc1cccc2c1OCC1(CC1)CN2 257847146 573693438 /nfs/dbraw/zinc/69/34/38/573693438.db2.gz ALBBKDJDZMRYSS-UHFFFAOYSA-N 0 0 190.246 1.853 10 0 ADAERN CCC[C@H]1CCN(C(=O)NOC)C1 308418437 573693454 /nfs/dbraw/zinc/69/34/54/573693454.db2.gz NVCICUCDRWMORU-QMMMGPOBSA-N 0 0 186.255 1.379 10 0 ADAERN Cc1ncc(N)c(C(F)F)c1C=O 238480787 573693488 /nfs/dbraw/zinc/69/34/88/573693488.db2.gz YUTJUDSPVVGENT-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC[C@H](C)C[C@@H](C)NC#N 83864981 573693492 /nfs/dbraw/zinc/69/34/92/573693492.db2.gz DHLZZEKSUSBLGG-JGVFFNPUSA-N 0 0 140.230 1.882 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1ncncc1N 86920868 573693493 /nfs/dbraw/zinc/69/34/93/573693493.db2.gz ZFGZAKHKWWOFOM-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN C=C=C(/C=C/C)[C@H](C)O 237992164 573693494 /nfs/dbraw/zinc/69/34/94/573693494.db2.gz BURVHDYAJPVNQA-KNIZRNDPSA-N 0 0 124.183 1.655 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)c1cocc1C 689980306 573693496 /nfs/dbraw/zinc/69/34/96/573693496.db2.gz XZNYCDQRIOSXIV-SZEHBUNVSA-N 0 0 182.219 1.656 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)c1[nH]cc(C)c1C 689889690 573693500 /nfs/dbraw/zinc/69/35/00/573693500.db2.gz RIRXWWDEWNASAE-DTWKUNHWSA-N 0 0 193.246 1.849 10 0 ADAERN Nc1cncc(NC[C@@H]2CCCO2)c1 122086139 573693513 /nfs/dbraw/zinc/69/35/13/573693513.db2.gz BASDZGYXQYLSKL-JTQLQIEISA-N 0 0 193.250 1.255 10 0 ADAERN Nc1cncnc1NC1CCC1 86920526 573693515 /nfs/dbraw/zinc/69/35/15/573693515.db2.gz SLZPGUKKRCUICZ-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN C[C@@](O)(CCCO)c1ccccn1 259161780 573693533 /nfs/dbraw/zinc/69/35/33/573693533.db2.gz GKVKOWXGRNTJTM-SNVBAGLBSA-N 0 0 181.235 1.062 10 0 ADAERN c1ncn([C@@H]2CCOC3(CCC3)C2)n1 86914875 573693538 /nfs/dbraw/zinc/69/35/38/573693538.db2.gz VCTGINYCMSNRAF-SECBINFHSA-N 0 0 193.250 1.552 10 0 ADAERN CC(C)[C@H](CO)C(=O)N(C)C(C)C 258880950 573693539 /nfs/dbraw/zinc/69/35/39/573693539.db2.gz XPMLGGUATXGOTA-VIFPVBQESA-N 0 0 187.283 1.118 10 0 ADAERN CCO[C@@H](C)O[C@H](C)CC(C)=O 238307065 573693550 /nfs/dbraw/zinc/69/35/50/573693550.db2.gz DGSPKQYLBBVTIR-RKDXNWHRSA-N 0 0 174.240 1.753 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1ncncc1N 86919883 573693553 /nfs/dbraw/zinc/69/35/53/573693553.db2.gz HGVXMPQEJLDOGU-HTQZYQBOSA-N 0 0 194.282 1.905 10 0 ADAERN CCCCC[NH2+][C@@H]1C[C@H]1C(=O)[O-] 259170984 573693554 /nfs/dbraw/zinc/69/35/54/573693554.db2.gz GVYAVVBURUBNGH-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H](CO)C[C@@H](C)[C@H](C)O 238481856 573693572 /nfs/dbraw/zinc/69/35/72/573693572.db2.gz XTYRJOKNCLJXJF-RNJXMRFFSA-N 0 0 146.230 1.022 10 0 ADAERN c1cc2ccc3c(c2[nH]1)NCO3 238000479 573693575 /nfs/dbraw/zinc/69/35/75/573693575.db2.gz OLJACAKOYGVQCV-UHFFFAOYSA-N 0 0 160.176 1.930 10 0 ADAERN Cc1ccc([C@H]2CN(C)C(=O)N2)o1 259556984 573693581 /nfs/dbraw/zinc/69/35/81/573693581.db2.gz UIDNYCGHBFESNR-SSDOTTSWSA-N 0 0 180.207 1.284 10 0 ADAERN Cc1cc2c(cc1Cl)C(=O)NC2 238481726 573693594 /nfs/dbraw/zinc/69/35/94/573693594.db2.gz IGTOGYYBCMMDML-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN Cc1cc(O)cc2c1OC[C@@H]2[NH3+] 238480864 573693602 /nfs/dbraw/zinc/69/36/02/573693602.db2.gz HOJKXTJCTSCBAQ-QMMMGPOBSA-N 0 0 165.192 1.093 10 0 ADAERN C[C@]1(CO)[C@@H]2CC[C@@]1(C)C(=O)C2 238481145 573693614 /nfs/dbraw/zinc/69/36/14/573693614.db2.gz MANWHKQXMFYQDY-JEZHCXPESA-N 0 0 168.236 1.374 10 0 ADAERN O=Cc1coc(C[C@@H]2CCCS2)n1 258087771 573695028 /nfs/dbraw/zinc/69/50/28/573695028.db2.gz MTPCXICNPQXIGR-QMMMGPOBSA-N 0 0 197.259 1.925 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]Cc2ccccc21 258086570 573695039 /nfs/dbraw/zinc/69/50/39/573695039.db2.gz WJOZTUMGYUALKD-JTQLQIEISA-N 0 0 191.230 1.348 10 0 ADAERN O=C(OCC1(O)CCCC1)C1CC1 308418105 573695045 /nfs/dbraw/zinc/69/50/45/573695045.db2.gz RMHYYIIBCJDOIN-UHFFFAOYSA-N 0 0 184.235 1.245 10 0 ADAERN Nc1cncc(NC[C@H]2CCCO2)c1 122086376 573695054 /nfs/dbraw/zinc/69/50/54/573695054.db2.gz BASDZGYXQYLSKL-SNVBAGLBSA-N 0 0 193.250 1.255 10 0 ADAERN O=c1nc(C[C@@H]2CCCS2)o[nH]1 258085967 573695061 /nfs/dbraw/zinc/69/50/61/573695061.db2.gz RGMXNGAAHGMLLK-YFKPBYRVSA-N 0 0 186.236 1.213 10 0 ADAERN COc1nccc(-c2ccc[nH]2)n1 259163482 573695076 /nfs/dbraw/zinc/69/50/76/573695076.db2.gz SVKZDXRODFIEFM-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN c1cc2c[nH]cc2c2c1OCN2 238000431 573695092 /nfs/dbraw/zinc/69/50/92/573695092.db2.gz FCMYPZSUUFCHOH-UHFFFAOYSA-N 0 0 160.176 1.930 10 0 ADAERN Cc1cc(C=O)c(CCON)cc1F 258085692 573695093 /nfs/dbraw/zinc/69/50/93/573695093.db2.gz NPZXLXVMRJDBKI-UHFFFAOYSA-N 0 0 197.209 1.379 10 0 ADAERN Nc1cncnc1N1CCCCCC1 86918899 573695096 /nfs/dbraw/zinc/69/50/96/573695096.db2.gz VQHFKLUCLOSGFM-UHFFFAOYSA-N 0 0 192.266 1.439 10 0 ADAERN CCC[C@H]([NH3+])C[C@H](C)C(=O)[O-] 259162988 573695099 /nfs/dbraw/zinc/69/50/99/573695099.db2.gz DOZWQVARVDJYFD-BQBZGAKWSA-N 0 0 159.229 1.225 10 0 ADAERN C[C@H](Nc1ncncc1N)C1CC1 86919483 573695102 /nfs/dbraw/zinc/69/51/02/573695102.db2.gz RMXODJAVKIQBER-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN CC[C@H](C)N1CCN(C)C1=O 259161539 573695106 /nfs/dbraw/zinc/69/51/06/573695106.db2.gz GBOTVKDCVXHCSV-ZETCQYMHSA-N 0 0 156.229 1.152 10 0 ADAERN C[C@H]1CCC2=C(C1)NC(=O)CC2 238480871 573695126 /nfs/dbraw/zinc/69/51/26/573695126.db2.gz IVECYQLHECCOLD-ZETCQYMHSA-N 0 0 165.236 1.971 10 0 ADAERN c1cc2c3c(ccn3CCC2)n1 237991447 573695132 /nfs/dbraw/zinc/69/51/32/573695132.db2.gz OYKJXMVXRJCJKO-UHFFFAOYSA-N 0 0 158.204 1.983 10 0 ADAERN C[C@H]1CN(C)c2cc(CO)ccc2N1 259162022 573695138 /nfs/dbraw/zinc/69/51/38/573695138.db2.gz INTXSVBMGAZQTA-QMMMGPOBSA-N 0 0 192.262 1.429 10 0 ADAERN Cc1ccc([C@@H]2CN(C)C(=O)N2)o1 259556986 573694445 /nfs/dbraw/zinc/69/44/45/573694445.db2.gz UIDNYCGHBFESNR-ZETCQYMHSA-N 0 0 180.207 1.284 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1ncncc1N 86920715 573694450 /nfs/dbraw/zinc/69/44/50/573694450.db2.gz CCHVSFLIJXQHCA-APPZFPTMSA-N 0 0 192.266 1.659 10 0 ADAERN O=C([O-])C/C=C\[C@@H]1CCCC[NH2+]1 258085760 573694455 /nfs/dbraw/zinc/69/44/55/573694455.db2.gz GDSWJERIEMRPCR-NHLYECAPSA-N 0 0 169.224 1.159 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)c1[nH]cc(C)c1C 689889694 573694460 /nfs/dbraw/zinc/69/44/60/573694460.db2.gz RIRXWWDEWNASAE-IUCAKERBSA-N 0 0 193.246 1.849 10 0 ADAERN COCc1ccc(F)c(C2(O)CC2)c1 258088099 573694462 /nfs/dbraw/zinc/69/44/62/573694462.db2.gz NTRNPOYDJFCDKX-UHFFFAOYSA-N 0 0 196.221 1.954 10 0 ADAERN C[C@@H](C1CC1)N(C)c1ncncc1N 86919569 573694463 /nfs/dbraw/zinc/69/44/63/573694463.db2.gz SSIHGFDSEAGWTB-ZETCQYMHSA-N 0 0 192.266 1.294 10 0 ADAERN CC(C)CCCNc1ncncc1N 86920661 573694477 /nfs/dbraw/zinc/69/44/77/573694477.db2.gz QKXUJFQYZSXWDP-UHFFFAOYSA-N 0 0 194.282 1.907 10 0 ADAERN CC[C@H](C)C[C@H](C)NC(N)=S 83865473 573694484 /nfs/dbraw/zinc/69/44/84/573694484.db2.gz FSAPAFJHPQAWAN-BQBZGAKWSA-N 0 0 174.313 1.644 10 0 ADAERN CC[C@@H]1CCCN1c1ncncc1N 86919708 573694496 /nfs/dbraw/zinc/69/44/96/573694496.db2.gz GGHJNRKUMWQRBB-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN Cc1[nH]c2c(N)c(N)ccc2c1C 238481165 573694509 /nfs/dbraw/zinc/69/45/09/573694509.db2.gz DYYULWMQRGKIFY-UHFFFAOYSA-N 0 0 175.235 1.949 10 0 ADAERN CCC[C@@H](C)Nc1ncncc1N 86919029 573694511 /nfs/dbraw/zinc/69/45/11/573694511.db2.gz TYUXNBSPTULWQU-SSDOTTSWSA-N 0 0 180.255 1.659 10 0 ADAERN COCOCCC/C(C)=C\CO 214388103 573694524 /nfs/dbraw/zinc/69/45/24/573694524.db2.gz XBIAYQLJFNDYID-UITAMQMPSA-N 0 0 174.240 1.326 10 0 ADAERN COC[C@@H](C)C[C@@H](NN)C(C)C 126836366 573694527 /nfs/dbraw/zinc/69/45/27/573694527.db2.gz YTHKROCDNQORMO-DTWKUNHWSA-N 0 0 174.288 1.147 10 0 ADAERN COc1cc(O)c(F)c(CCO)c1 258088065 573694549 /nfs/dbraw/zinc/69/45/49/573694549.db2.gz NTGGQSHOKGPPSK-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN CC[N@H+](C/C(C)=C\C(=O)[O-])C(C)C 215649224 573694551 /nfs/dbraw/zinc/69/45/51/573694551.db2.gz NQTHIGMUSWRVNQ-TWGQIWQCSA-N 0 0 185.267 1.748 10 0 ADAERN C[C@@H](Nc1ncncc1N)C1CC1 86919486 573694562 /nfs/dbraw/zinc/69/45/62/573694562.db2.gz RMXODJAVKIQBER-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1Cc2cc(N)cc(F)c2O1 238482007 573694567 /nfs/dbraw/zinc/69/45/67/573694567.db2.gz IKGSPRPAHUXATO-YFKPBYRVSA-N 0 0 167.183 1.731 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)c1cocc1C 689980301 573694568 /nfs/dbraw/zinc/69/45/68/573694568.db2.gz XZNYCDQRIOSXIV-QNSHHTMESA-N 0 0 182.219 1.656 10 0 ADAERN Cc1cc(O)cc2c1OCC[C@@H]2[NH3+] 238480839 573694597 /nfs/dbraw/zinc/69/45/97/573694597.db2.gz VJOKCITXOHUXDS-VIFPVBQESA-N 0 0 179.219 1.483 10 0 ADAERN Oc1c2c(cc3c1OCC3)OCC2 259162389 573694599 /nfs/dbraw/zinc/69/45/99/573694599.db2.gz HNZTZTFJFQSSAK-UHFFFAOYSA-N 0 0 178.187 1.262 10 0 ADAERN NOCc1cccc2oncc12 258088450 573694609 /nfs/dbraw/zinc/69/46/09/573694609.db2.gz WOJIOBXEXHLURV-UHFFFAOYSA-N 0 0 164.164 1.218 10 0 ADAERN C[C@]1(CO)O[C@@H]1C1CCCCC1 238480838 573694612 /nfs/dbraw/zinc/69/46/12/573694612.db2.gz PSIATZHTRVZSLW-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H]1CCCN1c1ncncc1N 86919701 573694647 /nfs/dbraw/zinc/69/46/47/573694647.db2.gz FIYSOMDLXKSPQF-SSDOTTSWSA-N 0 0 178.239 1.048 10 0 ADAERN CC(C)C[C@@H](C)Nc1ncncc1N 86919414 573694664 /nfs/dbraw/zinc/69/46/64/573694664.db2.gz DFPZZYWKBNFXSG-MRVPVSSYSA-N 0 0 194.282 1.905 10 0 ADAERN O=C([O-])[C@@]1(CCC2CC2)CCC[NH2+]1 215628796 573694674 /nfs/dbraw/zinc/69/46/74/573694674.db2.gz CJJRMYDCJXJTFY-JTQLQIEISA-N 0 0 183.251 1.383 10 0 ADAERN C/C=C(/C)[C@@H](C)[C@@](C)(O)C(C)=O 237978051 573694697 /nfs/dbraw/zinc/69/46/97/573694697.db2.gz AOXGPCLJWRNNBC-UIPWFOJPSA-N 0 0 170.252 1.929 10 0 ADAERN C[C@@H]1CC2(CCCC2)C(=O)N1 238481794 573694704 /nfs/dbraw/zinc/69/47/04/573694704.db2.gz NKQHQKRZLIPLTP-SSDOTTSWSA-N 0 0 153.225 1.455 10 0 ADAERN CC[C@@H](Nc1ncncc1N)C(C)C 86919936 573694730 /nfs/dbraw/zinc/69/47/30/573694730.db2.gz DMHQOCMOFNKURV-SECBINFHSA-N 0 0 194.282 1.905 10 0 ADAERN Cc1coc(C[C@@H](C)CO)c1 716105492 573694755 /nfs/dbraw/zinc/69/47/55/573694755.db2.gz QHVGUCVBISLFCZ-SSDOTTSWSA-N 0 0 154.209 1.759 10 0 ADAERN C[C@H](O)[C@H](C)C1(O)CCCCC1 238481367 573694778 /nfs/dbraw/zinc/69/47/78/573694778.db2.gz RSCLACUUQCKBKA-IUCAKERBSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H]1CCCN(c2ncncc2N)C1 86918896 573694782 /nfs/dbraw/zinc/69/47/82/573694782.db2.gz LNDSDIVJAPIGHP-QMMMGPOBSA-N 0 0 192.266 1.295 10 0 ADAERN Nc1cncnc1NCC1CCC1 86919389 573694794 /nfs/dbraw/zinc/69/47/94/573694794.db2.gz IQJVDLYAIXSOLH-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN C[C@H](CC1CC1)Nc1ncncc1N 86920914 573694799 /nfs/dbraw/zinc/69/47/99/573694799.db2.gz XWTWBGKNQGGIQH-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN CNC(=O)NCC[C@H](C)SC 122060941 573694801 /nfs/dbraw/zinc/69/48/01/573694801.db2.gz DPIUWDGHHAQXMZ-LURJTMIESA-N 0 0 176.285 1.057 10 0 ADAERN Cc1ccc2c(c1)OC(=O)[C@@H](C)N2 257847154 573694816 /nfs/dbraw/zinc/69/48/16/573694816.db2.gz ALJGMIJPMWYQSM-SSDOTTSWSA-N 0 0 177.203 1.714 10 0 ADAERN CC[C@@H](C)CN(C)c1ncncc1N 86919378 573694822 /nfs/dbraw/zinc/69/48/22/573694822.db2.gz NRDLBPYADOABAX-MRVPVSSYSA-N 0 0 194.282 1.541 10 0 ADAERN O=C(Cc1cccnn1)c1cc[nH]c1 259165353 573694858 /nfs/dbraw/zinc/69/48/58/573694858.db2.gz NXPRCILUSAOIJU-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN COc1cccc(NC/C=C/CO)n1 717540188 573694878 /nfs/dbraw/zinc/69/48/78/573694878.db2.gz VOKWZLUHOZEWTC-NSCUHMNNSA-N 0 0 194.234 1.051 10 0 ADAERN COC(=O)C=CNCC(C)(C)C(C)C 308417931 573694886 /nfs/dbraw/zinc/69/48/86/573694886.db2.gz QMLUZPOQADMBPK-SREVYHEPSA-N 0 0 199.294 1.945 10 0 ADAERN C=C(/C=C/C)/C=C/CO 237992048 573694889 /nfs/dbraw/zinc/69/48/89/573694889.db2.gz UEPZOVUGWJQEBG-GGWOSOGESA-N 0 0 124.183 1.667 10 0 ADAERN CC1(C)C[C@@H]1Nc1ncncc1N 86920382 573694890 /nfs/dbraw/zinc/69/48/90/573694890.db2.gz GRDYPIRPBNYLBA-ZETCQYMHSA-N 0 0 178.239 1.269 10 0 ADAERN CC1(C)c2cc(O)ccc2CC[C@@H]1O 259162355 573694895 /nfs/dbraw/zinc/69/48/95/573694895.db2.gz HNHRZPHJOJSCGW-NSHDSACASA-N 0 0 192.258 1.977 10 0 ADAERN O=C([O-])C/C=C\[C@H]1CCCC[NH2+]1 258085761 573694907 /nfs/dbraw/zinc/69/49/07/573694907.db2.gz GDSWJERIEMRPCR-QIUOEGRZSA-N 0 0 169.224 1.159 10 0 ADAERN C[C@H](O)[C@@]12CCCC[C@@H]1C2 258086586 573694918 /nfs/dbraw/zinc/69/49/18/573694918.db2.gz WJZZPBJYNLNMFV-YIZRAAEISA-N 0 0 140.226 1.948 10 0 ADAERN CO[C@H](C)CC(=O)O[C@]1(C)C[C@@H]1C 308417889 573694923 /nfs/dbraw/zinc/69/49/23/573694923.db2.gz NTXONRQJNNGMBM-QXFUBDJGSA-N 0 0 186.251 1.753 10 0 ADAERN NNc1csc(-c2cc[nH]c2)n1 259165475 573694932 /nfs/dbraw/zinc/69/49/32/573694932.db2.gz FGXMPDRMPOAXKZ-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN C[C@@]1(CO)CCc2cccc(F)c2N1 258085952 573694940 /nfs/dbraw/zinc/69/49/40/573694940.db2.gz HQSJIDBQJIJQIJ-NSHDSACASA-N 0 0 195.237 1.935 10 0 ADAERN CCCN(C)C(=O)C1=CCCSC1 308419810 573694960 /nfs/dbraw/zinc/69/49/60/573694960.db2.gz OJZAMMYUYNWIHN-UHFFFAOYSA-N 0 0 199.319 1.918 10 0 ADAERN Cc1cc(CC(C)C)nc(C=O)n1 259165507 573694972 /nfs/dbraw/zinc/69/49/72/573694972.db2.gz FHSDVVWPWQVKDL-UHFFFAOYSA-N 0 0 178.235 1.796 10 0 ADAERN Cc1c(F)c(F)c(N)c(CO)c1F 238481941 573694977 /nfs/dbraw/zinc/69/49/77/573694977.db2.gz IYOIAFFYCCKKLI-UHFFFAOYSA-N 0 0 191.152 1.487 10 0 ADAERN C[C@]1(CO)O[C@H]1C1CCCCC1 238480905 573694991 /nfs/dbraw/zinc/69/49/91/573694991.db2.gz PSIATZHTRVZSLW-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1ncncc1N 86920878 573694993 /nfs/dbraw/zinc/69/49/93/573694993.db2.gz ZFGZAKHKWWOFOM-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN NOCc1ccc2c(c1)SCC2 258086364 573696762 /nfs/dbraw/zinc/69/67/62/573696762.db2.gz WEQMWMMCDBXYLJ-UHFFFAOYSA-N 0 0 181.260 1.725 10 0 ADAERN Cc1cc([C@@H]([NH3+])C(=O)[O-])cc(C)c1C 258088131 573696767 /nfs/dbraw/zinc/69/67/67/573696767.db2.gz NUDIZTNGLDMISW-SNVBAGLBSA-N 0 0 193.246 1.696 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@@H+]1CCCC1(C)C 215667846 573696768 /nfs/dbraw/zinc/69/67/68/573696768.db2.gz UIPOQAHJOADCKI-CLFYSBASSA-N 0 0 197.278 1.892 10 0 ADAERN C[C@H](O)[C@H](C)CC1=NC(C)(C)CO1 238481543 573696769 /nfs/dbraw/zinc/69/67/69/573696769.db2.gz YYONLGCQTPBRFM-SFYZADRCSA-N 0 0 185.267 1.601 10 0 ADAERN COC(=O)/C=C(\C)[C@H](O)CC(C)C 213517152 573696781 /nfs/dbraw/zinc/69/67/81/573696781.db2.gz ZWKBOBIEUOCSMG-BNICOGTQSA-N 0 0 186.251 1.513 10 0 ADAERN COC(=O)CCC(=O)c1ccc(C)o1 259168363 573696786 /nfs/dbraw/zinc/69/67/86/573696786.db2.gz MGNNLIYNOJZLHF-UHFFFAOYSA-N 0 0 196.202 1.724 10 0 ADAERN C[C@@H](O)Cc1cccc2c1N[C@H](C)C2 258086610 573696804 /nfs/dbraw/zinc/69/68/04/573696804.db2.gz NEOUYFYIFZHVSI-RKDXNWHRSA-N 0 0 191.274 1.966 10 0 ADAERN C[C@H](O)C(=Cc1ccccc1)[C@H](C)O 238481127 573696808 /nfs/dbraw/zinc/69/68/08/573696808.db2.gz BHLFSZWZSJGHCE-UWVGGRQHSA-N 0 0 192.258 1.832 10 0 ADAERN OCNc1cc(Cl)ccc1F 258885808 573696815 /nfs/dbraw/zinc/69/68/15/573696815.db2.gz IRWWOZIVUHXORH-UHFFFAOYSA-N 0 0 175.590 1.841 10 0 ADAERN C[C@H](O)Cc1cccc2c1N[C@H](C)C2 258086604 573696816 /nfs/dbraw/zinc/69/68/16/573696816.db2.gz NEOUYFYIFZHVSI-BDAKNGLRSA-N 0 0 191.274 1.966 10 0 ADAERN CCN(c1cncc(N)c1)C(C)C 122096482 573696818 /nfs/dbraw/zinc/69/68/18/573696818.db2.gz JRMRGJONDWUIOX-UHFFFAOYSA-N 0 0 179.267 1.899 10 0 ADAERN C[C@H](O)[C@@H]1CC(C)(C)OC1(C)C 86928400 573696834 /nfs/dbraw/zinc/69/68/34/573696834.db2.gz VKJXVNDXLRMJDV-YUMQZZPRSA-N 0 0 172.268 1.961 10 0 ADAERN COCc1ccc(Cl)cc1CO 258088169 573696847 /nfs/dbraw/zinc/69/68/47/573696847.db2.gz NUUUBEQRGGFSAD-UHFFFAOYSA-N 0 0 186.638 1.979 10 0 ADAERN CC[C@H](C)N(C)c1cncc(N)c1 122104640 573696853 /nfs/dbraw/zinc/69/68/53/573696853.db2.gz GFMDXHWODVDBSS-QMMMGPOBSA-N 0 0 179.267 1.899 10 0 ADAERN CC[C@H](O)[C@@H](C)C[C@@H](C)O 78975433 573696087 /nfs/dbraw/zinc/69/60/87/573696087.db2.gz INVGCXXCVPGTOA-RNJXMRFFSA-N 0 0 146.230 1.164 10 0 ADAERN Cc1[nH+]cc2n1[C@H](CO)CCC2 258415079 573696094 /nfs/dbraw/zinc/69/60/94/573696094.db2.gz VQMYGDDJTVYNLQ-VIFPVBQESA-N 0 0 166.224 1.061 10 0 ADAERN CCOCCCN[C@H](C)C(F)(F)F 393552152 573696095 /nfs/dbraw/zinc/69/60/95/573696095.db2.gz HLELLOJTGKARIR-SSDOTTSWSA-N 0 0 199.216 1.953 10 0 ADAERN Cc1oc(CCO)nc1[C@H]1CCCO1 258087595 573696858 /nfs/dbraw/zinc/69/68/58/573696858.db2.gz MUCJGEHOZFWHSA-MRVPVSSYSA-N 0 0 197.234 1.369 10 0 ADAERN C[C@@H](C[C@H]([NH3+])C(C)(C)C)C(=O)[O-] 259171388 573696863 /nfs/dbraw/zinc/69/68/63/573696863.db2.gz DYNXZQRLPZGOQY-BQBZGAKWSA-N 0 0 173.256 1.471 10 0 ADAERN Cn1nc(Cc2ccco2)cc1N 258415158 573696111 /nfs/dbraw/zinc/69/61/11/573696111.db2.gz DKSHJGOYJBOZKG-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN COC(=O)CNCC(C1CC1)C1CC1 83894972 573696114 /nfs/dbraw/zinc/69/61/14/573696114.db2.gz MUPASHJKNYRTSL-UHFFFAOYSA-N 0 0 197.278 1.185 10 0 ADAERN Cc1ncc(N)c(C(F)F)c1CO 238480907 573696141 /nfs/dbraw/zinc/69/61/41/573696141.db2.gz NLVXQLNSPNAALZ-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC1(C)OC(C)(C)c2[nH]c(C=O)nc21 86927930 573696149 /nfs/dbraw/zinc/69/61/49/573696149.db2.gz MLJPNIKZCXKSCD-UHFFFAOYSA-N 0 0 194.234 1.723 10 0 ADAERN CCCCCOCC(=O)N1CCC1 393552214 573696154 /nfs/dbraw/zinc/69/61/54/573696154.db2.gz HRWKNBUGFDTGKF-UHFFFAOYSA-N 0 0 185.267 1.426 10 0 ADAERN OCc1c(F)cccc1-n1cccn1 236511840 573696163 /nfs/dbraw/zinc/69/61/63/573696163.db2.gz FLHPHQRMMSNIPV-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN O[C@H](C1=COCCC1)C(F)F 236512967 573696168 /nfs/dbraw/zinc/69/61/68/573696168.db2.gz HQPPXWFVLSLIFJ-ZCFIWIBFSA-N 0 0 164.151 1.307 10 0 ADAERN COCNCc1cc(F)ccc1F 259169705 573696179 /nfs/dbraw/zinc/69/61/79/573696179.db2.gz UMEXMAJLJDVBDO-UHFFFAOYSA-N 0 0 187.189 1.658 10 0 ADAERN Cc1oc(CCO)nc1[C@@H]1CCCO1 258087597 573696197 /nfs/dbraw/zinc/69/61/97/573696197.db2.gz MUCJGEHOZFWHSA-QMMMGPOBSA-N 0 0 197.234 1.369 10 0 ADAERN C[C@H](CO)[C@@H]1Cc2cccc(O)c2C1 257851325 573696267 /nfs/dbraw/zinc/69/62/67/573696267.db2.gz PACDFJLQYAXWAW-PSASIEDQSA-N 0 0 192.258 1.735 10 0 ADAERN Nc1cnc(NCCC2CC2)nc1 83893505 573696316 /nfs/dbraw/zinc/69/63/16/573696316.db2.gz YUXKDJPMYGGPJJ-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN C[C@@H]1CC2(CCC2)CNC1=O 238481770 573696320 /nfs/dbraw/zinc/69/63/20/573696320.db2.gz CAXCVOHLDGVNPM-SSDOTTSWSA-N 0 0 153.225 1.313 10 0 ADAERN OC[C@@]1(C2CCC2)CCCOC1 236498259 573696329 /nfs/dbraw/zinc/69/63/29/573696329.db2.gz FFIMHUUEBGODPG-JTQLQIEISA-N 0 0 170.252 1.576 10 0 ADAERN CONCc1cc(F)ccc1C=O 258088227 573696340 /nfs/dbraw/zinc/69/63/40/573696340.db2.gz NWAKVVPQWUWJKF-UHFFFAOYSA-N 0 0 183.182 1.289 10 0 ADAERN CC[C@@H](C)C[N@H+](C)C/C(C)=C\C(=O)[O-] 215658449 573696350 /nfs/dbraw/zinc/69/63/50/573696350.db2.gz ZTUZCDUNBVDIMK-WPVMNKCKSA-N 0 0 199.294 1.995 10 0 ADAERN Cc1c(F)c(C)c(C(N)=O)c(C)c1F 238480885 573696355 /nfs/dbraw/zinc/69/63/55/573696355.db2.gz HCCKFJJLMLJKFP-UHFFFAOYSA-N 0 0 199.200 1.989 10 0 ADAERN C[C@@H](CO)[C@@H]1Cc2cccc(O)c2C1 257851327 573696358 /nfs/dbraw/zinc/69/63/58/573696358.db2.gz PACDFJLQYAXWAW-WCBMZHEXSA-N 0 0 192.258 1.735 10 0 ADAERN ONCc1ccc2cnncc2c1 258088457 573696362 /nfs/dbraw/zinc/69/63/62/573696362.db2.gz WORYWTXCSXMRED-UHFFFAOYSA-N 0 0 175.191 1.109 10 0 ADAERN Cc1cc(O)cc2c1OC[C@H]2[NH3+] 238480906 573696380 /nfs/dbraw/zinc/69/63/80/573696380.db2.gz HOJKXTJCTSCBAQ-MRVPVSSYSA-N 0 0 165.192 1.093 10 0 ADAERN C[C@@H](CO)[C@H]1Cc2cccc(O)c2C1 257851328 573696385 /nfs/dbraw/zinc/69/63/85/573696385.db2.gz PACDFJLQYAXWAW-WPRPVWTQSA-N 0 0 192.258 1.735 10 0 ADAERN C[C@@]1(F)CCCC1=O 197465814 573696388 /nfs/dbraw/zinc/69/63/88/573696388.db2.gz ARFJWCAOPXMQOX-ZCFIWIBFSA-N 0 0 116.135 1.468 10 0 ADAERN CC(C)([NH3+])C(=O)NC(C)(C)C1CC1 83906972 573696406 /nfs/dbraw/zinc/69/64/06/573696406.db2.gz FQZUZVUPAOLPBR-UHFFFAOYSA-N 0 0 184.283 1.029 10 0 ADAERN Cn1cnc2cc(C3(O)CC3)ccc21 258087982 573696441 /nfs/dbraw/zinc/69/64/41/573696441.db2.gz NRWIHDFETUJBPU-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN CCc1[nH]c(=S)[nH]c1C(=O)OC 258087383 573696460 /nfs/dbraw/zinc/69/64/60/573696460.db2.gz JEDXOBPIAIWUEG-UHFFFAOYSA-N 0 0 186.236 1.047 10 0 ADAERN CC1(C)C[C@]2(COC(=O)N2)C(C)(C)O1 86928845 573696467 /nfs/dbraw/zinc/69/64/67/573696467.db2.gz YYWKDJVMQAGZCI-JTQLQIEISA-N 0 0 199.250 1.443 10 0 ADAERN Cc1cc(C=O)c([C@@H](C)O)cc1F 258087918 573696503 /nfs/dbraw/zinc/69/65/03/573696503.db2.gz NRABQAOMBHZDCW-SSDOTTSWSA-N 0 0 182.194 2.000 10 0 ADAERN Cc1cc2c(c(C(=O)[O-])c1)[C@@H]([NH3+])CC2 238480973 573696534 /nfs/dbraw/zinc/69/65/34/573696534.db2.gz DVLMMSPYLRZHGV-VIFPVBQESA-N 0 0 191.230 1.639 10 0 ADAERN C[C@H](CO)[C@H]1Cc2cccc(O)c2C1 257851326 573696538 /nfs/dbraw/zinc/69/65/38/573696538.db2.gz PACDFJLQYAXWAW-SCZZXKLOSA-N 0 0 192.258 1.735 10 0 ADAERN CC(C)Cc1nc(NN)cs1 259169174 573696577 /nfs/dbraw/zinc/69/65/77/573696577.db2.gz FMXCFXIANVZSLL-UHFFFAOYSA-N 0 0 171.269 1.627 10 0 ADAERN C[C@@H]1CN(c2ncncc2N)C[C@H]1C 86926445 573696582 /nfs/dbraw/zinc/69/65/82/573696582.db2.gz BRAQWFXDIIMAPU-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN COC(=O)/C=C(\C)[C@@H](O)C(C)C 213517703 573696586 /nfs/dbraw/zinc/69/65/86/573696586.db2.gz ZWTWZVWAKZTRKI-IWGCBNPKSA-N 0 0 172.224 1.123 10 0 ADAERN C[C@](F)(CC(=O)[O-])[C@H]1CCC[NH2+]C1 257851282 573696616 /nfs/dbraw/zinc/69/66/16/573696616.db2.gz OZGMXLLHEGYFOT-CBAPKCEASA-N 0 0 189.230 1.189 10 0 ADAERN Cc1cc(O)cc2snnc12 238481656 573696620 /nfs/dbraw/zinc/69/66/20/573696620.db2.gz JYUMLWUGYSKCEF-UHFFFAOYSA-N 0 0 166.205 1.705 10 0 ADAERN Nc1cncnc1Nc1ccsc1 86926433 573696642 /nfs/dbraw/zinc/69/66/42/573696642.db2.gz NEHAEBAYPMDNDH-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN C=C=C([C@H](C)O)n1cccc1 238481114 573696646 /nfs/dbraw/zinc/69/66/46/573696646.db2.gz RAOBARFKPFZTGG-QMMMGPOBSA-N 0 0 149.193 1.495 10 0 ADAERN CC1(C)C[C@@]2(CNC(=O)C2)C(C)(C)O1 86928914 573696663 /nfs/dbraw/zinc/69/66/63/573696663.db2.gz WEOWVTQULDBZBO-NSHDSACASA-N 0 0 197.278 1.470 10 0 ADAERN C[C@@](F)(CC(=O)[O-])[C@@H]1CCC[NH2+]C1 257851286 573696670 /nfs/dbraw/zinc/69/66/70/573696670.db2.gz OZGMXLLHEGYFOT-VXNVDRBHSA-N 0 0 189.230 1.189 10 0 ADAERN C[C@](F)(CC(=O)[O-])[C@@H]1CCC[NH2+]C1 257851279 573696674 /nfs/dbraw/zinc/69/66/74/573696674.db2.gz OZGMXLLHEGYFOT-APPZFPTMSA-N 0 0 189.230 1.189 10 0 ADAERN O[C@@H](CC1CC1)C1(O)CCCC1 236512910 573696692 /nfs/dbraw/zinc/69/66/92/573696692.db2.gz IYBKOPBKFKAPHH-VIFPVBQESA-N 0 0 170.252 1.453 10 0 ADAERN C[C@@](F)(CC(=O)[O-])[C@H]1CCC[NH2+]C1 257851284 573696703 /nfs/dbraw/zinc/69/67/03/573696703.db2.gz OZGMXLLHEGYFOT-IONNQARKSA-N 0 0 189.230 1.189 10 0 ADAERN Cc1cncc(C2(O)CC2)c1 83892747 573696705 /nfs/dbraw/zinc/69/67/05/573696705.db2.gz WWTCWXTWVDRQIO-UHFFFAOYSA-N 0 0 149.193 1.371 10 0 ADAERN Cc1cncc(C2N=NC(=O)O2)c1 83892776 573696717 /nfs/dbraw/zinc/69/67/17/573696717.db2.gz AYRDZZGEJFYSBC-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN COC(=O)c1cnc2n1CCCS2 259558371 573696721 /nfs/dbraw/zinc/69/67/21/573696721.db2.gz CEDUQGQCRGHELH-UHFFFAOYSA-N 0 0 198.247 1.166 10 0 ADAERN CC(=O)CCC1=C[C@@H](C)CO1 238481552 573696725 /nfs/dbraw/zinc/69/67/25/573696725.db2.gz NCSSGERLJHBXHY-SSDOTTSWSA-N 0 0 154.209 1.906 10 0 ADAERN CC(C)c1cc(=O)n(C2CC2)[n-]1 642817981 573696743 /nfs/dbraw/zinc/69/67/43/573696743.db2.gz HXXHVRWRBFGUBF-UHFFFAOYSA-N 0 0 166.224 1.507 10 0 ADAERN CSCCNC(=O)/C=C/C1CCC1 393550631 573696748 /nfs/dbraw/zinc/69/67/48/573696748.db2.gz XSIVBWZDAUYDSM-AATRIKPKSA-N 0 0 199.319 1.822 10 0 ADAERN CC(=O)OC[C@@H]1CC[C@H](C)C1=O 238483839 573703004 /nfs/dbraw/zinc/70/30/04/573703004.db2.gz RTGSNWZJSBGGSM-XPUUQOCRSA-N 0 0 170.208 1.165 10 0 ADAERN C[C@H]1C[C@](O)(c2cnccn2)CS1 86939164 573703009 /nfs/dbraw/zinc/70/30/09/573703009.db2.gz WQXSCBMYJNONRI-IONNQARKSA-N 0 0 196.275 1.190 10 0 ADAERN CSCc1nc(CO)cs1 83942706 573703010 /nfs/dbraw/zinc/70/30/10/573703010.db2.gz VYBZRHMJCQHEQF-UHFFFAOYSA-N 0 0 175.278 1.498 10 0 ADAERN C[C@H]1CC[C@@H](CO)CCCC1=O 238483694 573703034 /nfs/dbraw/zinc/70/30/34/573703034.db2.gz MSJCVSPMTZJBHO-IUCAKERBSA-N 0 0 170.252 1.764 10 0 ADAERN CCc1nc2c(n1C)CC[C@H]2C(=O)[O-] 108251734 573703037 /nfs/dbraw/zinc/70/30/37/573703037.db2.gz OWLHLPBCDKPGBW-ZCFIWIBFSA-N 0 0 194.234 1.097 10 0 ADAERN COC[C@@H](O)CCC1CC1 83936380 573703050 /nfs/dbraw/zinc/70/30/50/573703050.db2.gz VIZZZBQTZGLFNN-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1noc(C)c1N[C@@H](C)CCCO 308686493 573703061 /nfs/dbraw/zinc/70/30/61/573703061.db2.gz ZRNBDKQPBAQXNB-ZETCQYMHSA-N 0 0 198.266 1.864 10 0 ADAERN C[C@H]1C[C@@](O)(c2cccnc2)CS1 86939258 573703062 /nfs/dbraw/zinc/70/30/62/573703062.db2.gz BOFUEMRXJIOFLH-WPRPVWTQSA-N 0 0 195.287 1.795 10 0 ADAERN CN(CC1(CO)CCC1)c1cc[nH]c1 258885936 573703068 /nfs/dbraw/zinc/70/30/68/573703068.db2.gz COAUQAHNMRYPIV-UHFFFAOYSA-N 0 0 194.278 1.614 10 0 ADAERN O[C@@H](C1CCC1)C1(O)CCCCC1 236525738 573703073 /nfs/dbraw/zinc/70/30/73/573703073.db2.gz LKMQQRXNXRZPMI-JTQLQIEISA-N 0 0 184.279 1.843 10 0 ADAERN O=C([O-])CC1C[NH+](CCC2CC2)C1 83935169 573703090 /nfs/dbraw/zinc/70/30/90/573703090.db2.gz QHJJRIQNUBZSKU-UHFFFAOYSA-N 0 0 183.251 1.193 10 0 ADAERN COCCC[C@H](O)Cc1ccco1 130767714 573703101 /nfs/dbraw/zinc/70/31/01/573703101.db2.gz JNPOXJYRVPEOJU-VIFPVBQESA-N 0 0 184.235 1.610 10 0 ADAERN O[C@@H](c1cncc(F)c1)[C@@H](O)C1CC1 236522812 573702309 /nfs/dbraw/zinc/70/23/09/573702309.db2.gz IKUAWATZQMWPMW-UWVGGRQHSA-N 0 0 197.209 1.025 10 0 ADAERN Cc1ccnn1CCC1CC1 83940564 573702312 /nfs/dbraw/zinc/70/23/12/573702312.db2.gz XDRATEVZBLXKLU-UHFFFAOYSA-N 0 0 150.225 1.992 10 0 ADAERN C[C@H](c1cc(C(=O)[O-])n(C)c1)[NH+](C)C 257848949 573702313 /nfs/dbraw/zinc/70/23/13/573702313.db2.gz OFYSKUZRAUKZLH-SSDOTTSWSA-N 0 0 196.250 1.346 10 0 ADAERN Cc1nccc([C@H]2NC[C@H](C)S2)n1 124911185 573702322 /nfs/dbraw/zinc/70/23/22/573702322.db2.gz PDKFPTNZRAYWRE-RCOVLWMOSA-N 0 0 195.291 1.509 10 0 ADAERN O=C(OCc1ccsc1)C1COC1 393551796 573702331 /nfs/dbraw/zinc/70/23/31/573702331.db2.gz CDIZDCPJPXPTPZ-UHFFFAOYSA-N 0 0 198.243 1.438 10 0 ADAERN CC=CC1=NC(=S)N[C@@H](C)[C@H]1C 237998417 573702336 /nfs/dbraw/zinc/70/23/36/573702336.db2.gz DNLZCSYDSPUQTC-ZVCMNORXSA-N 0 0 182.292 1.916 10 0 ADAERN O[C@@H]1CCCc2cnc(C3CC3)n21 258417912 573702338 /nfs/dbraw/zinc/70/23/38/573702338.db2.gz VTNXDUHHNCOCDW-SECBINFHSA-N 0 0 178.235 1.588 10 0 ADAERN CCOCCC[C@H](CC)NN 126876676 573702348 /nfs/dbraw/zinc/70/23/48/573702348.db2.gz OCYDYFKVIIUSKO-QMMMGPOBSA-N 0 0 160.261 1.045 10 0 ADAERN Cc1cccc2c1C[C@H](CON)N2C 258088885 573702362 /nfs/dbraw/zinc/70/23/62/573702362.db2.gz HXFONLAGOIPYIA-SECBINFHSA-N 0 0 192.262 1.246 10 0 ADAERN NOC[C@H]1CNc2ccccc21 258088871 573702379 /nfs/dbraw/zinc/70/23/79/573702379.db2.gz HWAKYXMPCRFVMT-SSDOTTSWSA-N 0 0 164.208 1.086 10 0 ADAERN CC(C)c1nnc2n1CCC[C@H]2CO 258088931 573702401 /nfs/dbraw/zinc/70/24/01/573702401.db2.gz FGEZHCGOLKPACN-QMMMGPOBSA-N 0 0 195.266 1.271 10 0 ADAERN Cc1c[nH]c2c(N)c(=O)ccc-2n1 259557864 573702403 /nfs/dbraw/zinc/70/24/03/573702403.db2.gz WQGMZTZXYVYGBW-UHFFFAOYSA-N 0 0 175.191 1.226 10 0 ADAERN O=C(c1ccc(F)cc1)[C@H](O)C1CC1 236526051 573702406 /nfs/dbraw/zinc/70/24/06/573702406.db2.gz KWZNTAXNWYSAGB-SNVBAGLBSA-N 0 0 194.205 1.779 10 0 ADAERN CC=CC1=NC(=O)N[C@@H](C)C1C 237997276 573702410 /nfs/dbraw/zinc/70/24/10/573702410.db2.gz LSTARHAIMBWCJY-KPJROHGDSA-N 0 0 166.224 1.538 10 0 ADAERN O=C(c1cccnc1)[C@@H](O)C1CC1 236521717 573702420 /nfs/dbraw/zinc/70/24/20/573702420.db2.gz SVBBJQNTIBTFMA-VIFPVBQESA-N 0 0 177.203 1.035 10 0 ADAERN c1ncn(CCC2CC2)n1 83940545 573702421 /nfs/dbraw/zinc/70/24/21/573702421.db2.gz PESMGNBECKEHEV-UHFFFAOYSA-N 0 0 137.186 1.078 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1N1CNCC1=O 122125959 573702422 /nfs/dbraw/zinc/70/24/22/573702422.db2.gz RTRBJKWHIZHCIM-ZJUUUORDSA-N 0 0 196.294 1.345 10 0 ADAERN CC[C@@H](C)N(C)c1cncc(N)c1 122104449 573702425 /nfs/dbraw/zinc/70/24/25/573702425.db2.gz GFMDXHWODVDBSS-MRVPVSSYSA-N 0 0 179.267 1.899 10 0 ADAERN CC(C)c1nnc2n1CCC[C@@H]2CO 258088929 573702431 /nfs/dbraw/zinc/70/24/31/573702431.db2.gz FGEZHCGOLKPACN-MRVPVSSYSA-N 0 0 195.266 1.271 10 0 ADAERN C[C@@H](CO)c1ccc(F)cc1N(C)C 259557869 573702440 /nfs/dbraw/zinc/70/24/40/573702440.db2.gz WJLNVVHZSGOJIR-QMMMGPOBSA-N 0 0 197.253 1.988 10 0 ADAERN C[C@@](CO)(CC12CC(CO1)C2)C1CC1 716111804 573702441 /nfs/dbraw/zinc/70/24/41/573702441.db2.gz PZTVRTPCFLHWGR-ZYXZCXLHSA-N 0 0 196.290 1.964 10 0 ADAERN Nc1cncc(NCC2CCC2)c1 122111924 573702448 /nfs/dbraw/zinc/70/24/48/573702448.db2.gz LCASQDYVPPZICT-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN OCc1cnc(-c2ccoc2)s1 83942849 573702461 /nfs/dbraw/zinc/70/24/61/573702461.db2.gz YWSSISONFXWFKU-UHFFFAOYSA-N 0 0 181.216 1.895 10 0 ADAERN CCO/C(=C\C(N)=O)[C@H](C)CC 238314651 573702481 /nfs/dbraw/zinc/70/24/81/573702481.db2.gz XEBBVENBIJRDOT-QHRPWQPMSA-N 0 0 171.240 1.438 10 0 ADAERN O[C@@H](c1ccccc1F)[C@@H](O)C1CC1 236522724 573702503 /nfs/dbraw/zinc/70/25/03/573702503.db2.gz QKBCRIFWGNBUOQ-QWRGUYRKSA-N 0 0 196.221 1.630 10 0 ADAERN CC(C)[C@@H](CCc1cccnc1)NN 126816403 573702508 /nfs/dbraw/zinc/70/25/08/573702508.db2.gz YICAWYGKRIGOAX-LLVKDONJSA-N 0 0 193.294 1.502 10 0 ADAERN O[C@@H](CC1OCCO1)C1CCCC1 236519604 573702512 /nfs/dbraw/zinc/70/25/12/573702512.db2.gz RZZBDJTVUNMFMG-VIFPVBQESA-N 0 0 186.251 1.301 10 0 ADAERN CC=CC1=NC(=O)N[C@H](C)C1C 237997123 573702514 /nfs/dbraw/zinc/70/25/14/573702514.db2.gz LSTARHAIMBWCJY-SMMXGFFBSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@H](Cc1ccc(O)cc1)ON 259558018 573702547 /nfs/dbraw/zinc/70/25/47/573702547.db2.gz WVELUUZLAKBXSM-SSDOTTSWSA-N 0 0 167.208 1.214 10 0 ADAERN N#CNc1ccccc1CO 236507234 573702551 /nfs/dbraw/zinc/70/25/51/573702551.db2.gz SWUVSYPLIQQBNO-UHFFFAOYSA-N 0 0 148.165 1.072 10 0 ADAERN OCc1csc([C@H]2CCOC2)n1 83942540 573702560 /nfs/dbraw/zinc/70/25/60/573702560.db2.gz OBIDHEZLSVGKIC-LURJTMIESA-N 0 0 185.248 1.139 10 0 ADAERN CCCC(C)(C)CNC(=O)CCO 258886491 573702564 /nfs/dbraw/zinc/70/25/64/573702564.db2.gz QPHSZGRVNRFJCA-UHFFFAOYSA-N 0 0 187.283 1.311 10 0 ADAERN OCc1cc(F)cc(N2CCCC2)c1 236506352 573702567 /nfs/dbraw/zinc/70/25/67/573702567.db2.gz CXNAKYVXLZXSFR-UHFFFAOYSA-N 0 0 195.237 1.918 10 0 ADAERN C[C@@H]1C[C@@H](n2nccc2N)CS1 86936469 573702578 /nfs/dbraw/zinc/70/25/78/573702578.db2.gz YLUCBFLQUDLQCJ-RNFRBKRXSA-N 0 0 183.280 1.532 10 0 ADAERN CC(C)[C@@H](C[N@H+](C)C1CCC1)C(=O)[O-] 258885928 573702587 /nfs/dbraw/zinc/70/25/87/573702587.db2.gz CNRZFLLRBAHPJL-SNVBAGLBSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1ccc(CON)c2c1OCO2 258088480 573702613 /nfs/dbraw/zinc/70/26/13/573702613.db2.gz WPQRNXKGRMNWHO-UHFFFAOYSA-N 0 0 181.191 1.114 10 0 ADAERN C[C@@H]1C[C@H](Nc2cnn(C)c2)CS1 86934826 573702619 /nfs/dbraw/zinc/70/26/19/573702619.db2.gz LCMNMGOCFRJMIO-SFYZADRCSA-N 0 0 197.307 1.726 10 0 ADAERN COCC(=O)CCC1CC1 83935646 573702620 /nfs/dbraw/zinc/70/26/20/573702620.db2.gz IOAYVKRKYSGSKV-UHFFFAOYSA-N 0 0 142.198 1.392 10 0 ADAERN Nc1cccc2c(CO)coc12 258088523 573702623 /nfs/dbraw/zinc/70/26/23/573702623.db2.gz QZLCOJOKRBMWMB-UHFFFAOYSA-N 0 0 163.176 1.507 10 0 ADAERN COc1nc([C@@H](NN)C2CC2)cs1 393552050 573702630 /nfs/dbraw/zinc/70/26/30/573702630.db2.gz STPMSDGBFPXGCA-ZETCQYMHSA-N 0 0 199.279 1.066 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)c1ccccc1F 236523534 573702640 /nfs/dbraw/zinc/70/26/40/573702640.db2.gz QKBCRIFWGNBUOQ-WDEREUQCSA-N 0 0 196.221 1.630 10 0 ADAERN Cc1occc1/C=C\CO 321135224 573702651 /nfs/dbraw/zinc/70/26/51/573702651.db2.gz XQHDWEBSBSWBGK-IHWYPQMZSA-N 0 0 138.166 1.594 10 0 ADAERN CC(C)C[C@@H]([NH2+]CCC1CC1)C(=O)[O-] 83934911 573702652 /nfs/dbraw/zinc/70/26/52/573702652.db2.gz SWAJFJUZYBVAEP-SNVBAGLBSA-N 0 0 199.294 1.875 10 0 ADAERN O[C@@]1(c2ccoc2)CCSC1 86938023 573702653 /nfs/dbraw/zinc/70/26/53/573702653.db2.gz JJSPTJPWKDZAHZ-QMMMGPOBSA-N 0 0 170.233 1.604 10 0 ADAERN C[C@H]1C[C@H]1c1ncc(CO)s1 83943130 573702657 /nfs/dbraw/zinc/70/26/57/573702657.db2.gz FAXJLKVRUQNMNE-CAHLUQPWSA-N 0 0 169.249 1.759 10 0 ADAERN OCc1cnc(-c2ccncn2)s1 83942759 573702665 /nfs/dbraw/zinc/70/26/65/573702665.db2.gz SILUJLRSUSFOQP-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN C/C=C(/CC)C(=O)OCCC(C)=O 393552072 573702668 /nfs/dbraw/zinc/70/26/68/573702668.db2.gz SWQRHJULLFJOHH-WTKPLQERSA-N 0 0 184.235 1.865 10 0 ADAERN OCc1csc(-c2ncccn2)n1 83942411 573702676 /nfs/dbraw/zinc/70/26/76/573702676.db2.gz POAPZOJAKIPHEM-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN COC(=O)[C@H](CO)c1ccc(C)cc1 258099706 573702683 /nfs/dbraw/zinc/70/26/83/573702683.db2.gz DUVBLOGROFWTDX-SNVBAGLBSA-N 0 0 194.230 1.244 10 0 ADAERN CC[C@H](CC[C@H]1CCCCO1)NN 126857181 573702690 /nfs/dbraw/zinc/70/26/90/573702690.db2.gz RPPFKXWBNHLCGB-NXEZZACHSA-N 0 0 186.299 1.578 10 0 ADAERN C[C@@H]1C[C@](O)(c2ccoc2)CS1 86938791 573702697 /nfs/dbraw/zinc/70/26/97/573702697.db2.gz XLVLIFMPQFKTLR-VXNVDRBHSA-N 0 0 184.260 1.993 10 0 ADAERN CCn1nccc1[C@@]1(O)CCSC1 86938234 573702702 /nfs/dbraw/zinc/70/27/02/573702702.db2.gz ZAJROOQHORHYJH-SECBINFHSA-N 0 0 198.291 1.228 10 0 ADAERN OCCNc1nc2cc(F)ccc2[nH]1 236507165 573702722 /nfs/dbraw/zinc/70/27/22/573702722.db2.gz CJIYCIAXJLUAKJ-UHFFFAOYSA-N 0 0 195.197 1.106 10 0 ADAERN Cc1cccc(C[C@H](C)ON)c1 259557921 573702765 /nfs/dbraw/zinc/70/27/65/573702765.db2.gz WSARCKFPGLVHPK-VIFPVBQESA-N 0 0 165.236 1.816 10 0 ADAERN Cn1cc(C=O)c2cc(N)ccc21 108258897 573702769 /nfs/dbraw/zinc/70/27/69/573702769.db2.gz FYXKBACAOJMMEW-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN c1cnc2c(c1)CN1CCCC[C@H]1N2 237995213 573702784 /nfs/dbraw/zinc/70/27/84/573702784.db2.gz SWSRGPDCTJBXSS-JTQLQIEISA-N 0 0 189.262 1.819 10 0 ADAERN Cc1nnc([C@H](C)C(F)(F)F)n1C 75840102 573702789 /nfs/dbraw/zinc/70/27/89/573702789.db2.gz TZBALNWLSGCUBU-BYPYZUCNSA-N 0 0 193.172 1.789 10 0 ADAERN CC(C)n1nccc1[C@H](C)[NH3+] 75845341 573702815 /nfs/dbraw/zinc/70/28/15/573702815.db2.gz CBDVAHABJDENDR-ZETCQYMHSA-N 0 0 153.229 1.484 10 0 ADAERN C[C@]1(C=C=O)C(=O)[C@@H]2CCC[C@@H]21 238483499 573702820 /nfs/dbraw/zinc/70/28/20/573702820.db2.gz WUMQCWCVJLWTNQ-KHQFGBGNSA-N 0 0 164.204 1.380 10 0 ADAERN Cc1c(N)n[nH]c1C[C@@H]1CC[C@@H]2C[C@H]12 717538357 573702822 /nfs/dbraw/zinc/70/28/22/573702822.db2.gz SAYKFBXQOFSHBQ-VGMNWLOBSA-N 0 0 191.278 1.889 10 0 ADAERN C/C=C/C1=C(C)[C@H](C)NC(=S)N1O 237997365 573702828 /nfs/dbraw/zinc/70/28/28/573702828.db2.gz NPGKAQDGLAHPHP-KPJROHGDSA-N 0 0 198.291 1.804 10 0 ADAERN CCn1nc(C)cc1[C@H](NN)C(C)C 126812798 573702836 /nfs/dbraw/zinc/70/28/36/573702836.db2.gz QOUUNMYAELOLKG-SNVBAGLBSA-N 0 0 196.298 1.372 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)c1ccsc1 236523594 573702845 /nfs/dbraw/zinc/70/28/45/573702845.db2.gz SHGNJPWTIGIRAC-DTWKUNHWSA-N 0 0 184.260 1.552 10 0 ADAERN C[C@H]([NH3+])c1nc2ccc(O)cc2n1C 75845170 573702849 /nfs/dbraw/zinc/70/28/49/573702849.db2.gz QZHWVJBHQXVAAC-LURJTMIESA-N 0 0 191.234 1.299 10 0 ADAERN Cc1ccoc1[C@@H](C)N[C@@H](C)C(N)=O 308686810 573702859 /nfs/dbraw/zinc/70/28/59/573702859.db2.gz ZVDNQKYZSJGEGN-SFYZADRCSA-N 0 0 196.250 1.112 10 0 ADAERN CSC[C@@H](O)CCC1CC1 83936520 573702873 /nfs/dbraw/zinc/70/28/73/573702873.db2.gz SNEOOSWACSOPRY-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN O=C(C1CCCC1)[C@@H](O)C1CC1 236519551 573702876 /nfs/dbraw/zinc/70/28/76/573702876.db2.gz KMTDRTAEQQTVMO-JTQLQIEISA-N 0 0 168.236 1.517 10 0 ADAERN C[C@H]1C[C@@](O)(c2cncnc2)CS1 86938702 573702879 /nfs/dbraw/zinc/70/28/79/573702879.db2.gz BLAOPLZRICULLE-CBAPKCEASA-N 0 0 196.275 1.190 10 0 ADAERN CCO[C@H](C)[C@@H](O)Cc1ccoc1 130761248 573702885 /nfs/dbraw/zinc/70/28/85/573702885.db2.gz REBHLNBCBVMKGQ-SCZZXKLOSA-N 0 0 184.235 1.608 10 0 ADAERN C[C@H](c1nc[nH]n1)C(F)(F)F 75840174 573702888 /nfs/dbraw/zinc/70/28/88/573702888.db2.gz OHNNIKZTOGHKFU-GSVOUGTGSA-N 0 0 165.118 1.471 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)c1ccncc1F 236523578 573702899 /nfs/dbraw/zinc/70/28/99/573702899.db2.gz QYOSKFLBDTZGNZ-VHSXEESVSA-N 0 0 197.209 1.025 10 0 ADAERN C[C@H]1C[C@@H](Nc2cn[nH]c2)CS1 86934837 573702901 /nfs/dbraw/zinc/70/29/01/573702901.db2.gz YAPKIZKDUYXHBM-NKWVEPMBSA-N 0 0 183.280 1.716 10 0 ADAERN C[C@H](c1ccccc1)c1nncn1C 75842195 573703112 /nfs/dbraw/zinc/70/31/12/573703112.db2.gz PAEWSHQJPWIDLV-SECBINFHSA-N 0 0 187.246 1.967 10 0 ADAERN C[C@H]([NH3+])c1ccc(F)c(C(=O)[O-])c1 75845065 573702954 /nfs/dbraw/zinc/70/29/54/573702954.db2.gz PTKVRNRSSOUCHG-YFKPBYRVSA-N 0 0 183.182 1.544 10 0 ADAERN CCSC[C@@H](O)Cc1ccoc1 130768328 573702957 /nfs/dbraw/zinc/70/29/57/573702957.db2.gz PHIWJKVYEZHIHZ-VIFPVBQESA-N 0 0 186.276 1.936 10 0 ADAERN COC[C@@H]1CCNc2cc(O)ccc21 257849721 573702970 /nfs/dbraw/zinc/70/29/70/573702970.db2.gz OMBSOTGZRRWOBJ-QMMMGPOBSA-N 0 0 193.246 1.938 10 0 ADAERN CC(C)OC[C@]1(O)CS[C@@H](C)C1 86938581 573702973 /nfs/dbraw/zinc/70/29/73/573702973.db2.gz DQSSOCJMBAONIP-IUCAKERBSA-N 0 0 190.308 1.668 10 0 ADAERN C[C@]1(Cl)C[C@]12C[C@@H]2CO 238483617 573704354 /nfs/dbraw/zinc/70/43/54/573704354.db2.gz IMLQADFQPDCEJR-VQVTYTSYSA-N 0 0 146.617 1.386 10 0 ADAERN OC[C@H]1COc2c(F)cccc2C1 236517059 573703552 /nfs/dbraw/zinc/70/35/52/573703552.db2.gz YANASAOZELGTPN-ZETCQYMHSA-N 0 0 182.194 1.369 10 0 ADAERN OCc1csc([C@H]2CCCOC2)n1 83942608 573703560 /nfs/dbraw/zinc/70/35/60/573703560.db2.gz ZALJGBLGNFYPGG-ZETCQYMHSA-N 0 0 199.275 1.529 10 0 ADAERN C[C@]1(C=C=O)C(=O)[C@H]2CCCC[C@@H]21 238483440 573703565 /nfs/dbraw/zinc/70/35/65/573703565.db2.gz NZQWULGIESYZTE-ATZCPNFKSA-N 0 0 178.231 1.770 10 0 ADAERN OCc1cc(-c2cncc(F)c2)n[nH]1 236515835 573703566 /nfs/dbraw/zinc/70/35/66/573703566.db2.gz HTLIUGLHTNFNNJ-UHFFFAOYSA-N 0 0 193.181 1.103 10 0 ADAERN C[C@H]1C[C@@H](Nc2cnn(C)c2)CS1 86934829 573703568 /nfs/dbraw/zinc/70/35/68/573703568.db2.gz LCMNMGOCFRJMIO-JGVFFNPUSA-N 0 0 197.307 1.726 10 0 ADAERN CC(C)(O)c1nc2ncccc2o1 75845945 573704364 /nfs/dbraw/zinc/70/43/64/573704364.db2.gz YUHWNSFWXCYNMT-UHFFFAOYSA-N 0 0 178.191 1.450 10 0 ADAERN CC(C)(O)c1nc2ccccc2n1O 75846011 573703573 /nfs/dbraw/zinc/70/35/73/573703573.db2.gz BZHDUIMLLJFFBI-UHFFFAOYSA-N 0 0 192.218 1.501 10 0 ADAERN Cc1noc(C)c1N[C@H](C)CCCO 308686492 573703581 /nfs/dbraw/zinc/70/35/81/573703581.db2.gz ZRNBDKQPBAQXNB-SSDOTTSWSA-N 0 0 198.266 1.864 10 0 ADAERN Cc1ccncc1[C@@]1(O)CCSC1 86938036 573703583 /nfs/dbraw/zinc/70/35/83/573703583.db2.gz UMJJPMCENRSZGJ-SNVBAGLBSA-N 0 0 195.287 1.715 10 0 ADAERN OCCc1cnn([C@@H]2CCSC2)c1 257849468 573703594 /nfs/dbraw/zinc/70/35/94/573703594.db2.gz MIUKTNBQSHCFDC-SECBINFHSA-N 0 0 198.291 1.096 10 0 ADAERN C1CCC[N@@H+]2CCCN[C@@H]2CC1 238013840 573703613 /nfs/dbraw/zinc/70/36/13/573703613.db2.gz PNKWEJZYXZWPJO-JTQLQIEISA-N 0 0 168.284 1.572 10 0 ADAERN CC(C)[C@H](C[N@H+](C)C1CCC1)C(=O)[O-] 258885927 573703628 /nfs/dbraw/zinc/70/36/28/573703628.db2.gz CNRZFLLRBAHPJL-JTQLQIEISA-N 0 0 199.294 1.828 10 0 ADAERN CC1(C)Cc2ocnc2CN1 258099852 573703629 /nfs/dbraw/zinc/70/36/29/573703629.db2.gz XSNZUTVEYXQENC-UHFFFAOYSA-N 0 0 152.197 1.099 10 0 ADAERN C[C@@H]1CNc2ccc(O)cc2NC1=O 257849127 573703657 /nfs/dbraw/zinc/70/36/57/573703657.db2.gz AURVBZDLHNLMGZ-ZCFIWIBFSA-N 0 0 192.218 1.392 10 0 ADAERN O[C@H]1CCCc2cnc(C3CC3)n21 258417917 573703660 /nfs/dbraw/zinc/70/36/60/573703660.db2.gz VTNXDUHHNCOCDW-VIFPVBQESA-N 0 0 178.235 1.588 10 0 ADAERN C[C@H]1CCCC([O-])=CC(=O)O1 238483571 573703683 /nfs/dbraw/zinc/70/36/83/573703683.db2.gz ACXNGYHTYKYWOH-LURJTMIESA-N 0 0 156.181 1.061 10 0 ADAERN O[C@]1(c2cncc(F)c2)CCSC1 86938038 573703687 /nfs/dbraw/zinc/70/36/87/573703687.db2.gz CGEXQROSPKSXOL-SECBINFHSA-N 0 0 199.250 1.545 10 0 ADAERN C[C@H](c1c(N)cnn1C)C(F)(F)F 75840196 573703715 /nfs/dbraw/zinc/70/37/15/573703715.db2.gz KARIZUCMARYDQA-SCSAIBSYSA-N 0 0 193.172 1.668 10 0 ADAERN C[C@H](c1nccn1O)C(F)(F)F 75840018 573703756 /nfs/dbraw/zinc/70/37/56/573703756.db2.gz VAFMNHQMBQRSCR-SCSAIBSYSA-N 0 0 180.129 1.786 10 0 ADAERN CCO[C@@H](C)[C@H](O)Cc1ccco1 130761435 573703757 /nfs/dbraw/zinc/70/37/57/573703757.db2.gz DBHFWEXWZWFRLF-WCBMZHEXSA-N 0 0 184.235 1.608 10 0 ADAERN [NH3+]Cc1coc(Nc2ccccc2)n1 108254942 573704366 /nfs/dbraw/zinc/70/43/66/573704366.db2.gz ATMZTSFRLUOTQW-UHFFFAOYSA-N 0 0 189.218 1.877 10 0 ADAERN CC[C@@H](C)[C@H](O)COCC(F)F 130760842 573704367 /nfs/dbraw/zinc/70/43/67/573704367.db2.gz ZUWAXNWKJROTEH-RNFRBKRXSA-N 0 0 182.210 1.675 10 0 ADAERN C[C@@H](Nc1cncc(N)c1)C1CC1 122134384 573704370 /nfs/dbraw/zinc/70/43/70/573704370.db2.gz XQLVJIQRJGLSIQ-SSDOTTSWSA-N 0 0 177.251 1.874 10 0 ADAERN OC[C@H]1COc2cccc(Cl)c2C1 236517069 573703772 /nfs/dbraw/zinc/70/37/72/573703772.db2.gz NKSUTRLDAQLZKM-ZETCQYMHSA-N 0 0 198.649 1.883 10 0 ADAERN CCSCc1nc(CO)cs1 83942650 573703776 /nfs/dbraw/zinc/70/37/76/573703776.db2.gz ROLNLFAGXHBFLD-UHFFFAOYSA-N 0 0 189.305 1.889 10 0 ADAERN Cc1cc(C[NH3+])c(N)c(C(F)F)n1 238483565 573703792 /nfs/dbraw/zinc/70/37/92/573703792.db2.gz MSPXLBXDKOYHJJ-UHFFFAOYSA-N 0 0 187.193 1.369 10 0 ADAERN CCCOC[C@]1(O)CCSC1 86938197 573703794 /nfs/dbraw/zinc/70/37/94/573703794.db2.gz CXDZZKROVRGMFR-MRVPVSSYSA-N 0 0 176.281 1.281 10 0 ADAERN C[C@H]1CCCC(C)(C)[C@H]1C(N)=O 224562510 573703817 /nfs/dbraw/zinc/70/38/17/573703817.db2.gz GDLXVCBSBYSEGS-JGVFFNPUSA-N 0 0 169.268 1.934 10 0 ADAERN O=Cc1cc(F)ccc1CCO 258099783 573703831 /nfs/dbraw/zinc/70/38/31/573703831.db2.gz XOWGRPOQHKVSBC-UHFFFAOYSA-N 0 0 168.167 1.173 10 0 ADAERN C[C@@H]([NH3+])c1ncnc2c(F)cccc12 257849791 573703832 /nfs/dbraw/zinc/70/38/32/573703832.db2.gz ONRNTPVPIZWKBM-ZCFIWIBFSA-N 0 0 191.209 1.789 10 0 ADAERN Cc1csc([C@@]2(O)CCC[NH2+]C2)n1 108260091 573703850 /nfs/dbraw/zinc/70/38/50/573703850.db2.gz IJJTVDVIBOMWDF-SECBINFHSA-N 0 0 198.291 1.023 10 0 ADAERN O[C@@H](CNc1nccs1)C(F)F 236524838 573703875 /nfs/dbraw/zinc/70/38/75/573703875.db2.gz SFYNBGZDFHHRHG-BYPYZUCNSA-N 0 0 194.206 1.181 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@@H+](C)CCC(C)C 215685622 573703884 /nfs/dbraw/zinc/70/38/84/573703884.db2.gz BVPXCHOCAANBKY-YFHOEESVSA-N 0 0 199.294 1.995 10 0 ADAERN COC(=O)Cc1ncsc1C 108238354 573703906 /nfs/dbraw/zinc/70/39/06/573703906.db2.gz CZZZFVXPKPCTEN-UHFFFAOYSA-N 0 0 171.221 1.167 10 0 ADAERN Cc1cnn([C@@H]2CS[C@H](C)C2)c1N 86936474 573703926 /nfs/dbraw/zinc/70/39/26/573703926.db2.gz NCTBIICEPWXRGC-SFYZADRCSA-N 0 0 197.307 1.840 10 0 ADAERN O=C(CC1CC1)[C@H](O)C1CC1 236524885 573703930 /nfs/dbraw/zinc/70/39/30/573703930.db2.gz MAJUVPQYDYNOSI-SECBINFHSA-N 0 0 154.209 1.127 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cnn(C)c2)CS1 86934828 573703944 /nfs/dbraw/zinc/70/39/44/573703944.db2.gz LCMNMGOCFRJMIO-HTQZYQBOSA-N 0 0 197.307 1.726 10 0 ADAERN C[C@H]([NH3+])c1ccnn1C1CC1 75845338 573703947 /nfs/dbraw/zinc/70/39/47/573703947.db2.gz QSURZUJSMHJJCV-LURJTMIESA-N 0 0 151.213 1.238 10 0 ADAERN C[C@H]([NH3+])c1nccn1-c1cc[nH+]cc1 75845166 573703968 /nfs/dbraw/zinc/70/39/68/573703968.db2.gz LWWXRXLVRMVDJA-QMMMGPOBSA-N 0 0 188.234 1.287 10 0 ADAERN CCO[C@H](C)[C@H](O)Cc1ccco1 130761619 573703980 /nfs/dbraw/zinc/70/39/80/573703980.db2.gz DBHFWEXWZWFRLF-PSASIEDQSA-N 0 0 184.235 1.608 10 0 ADAERN C[C@@H]1C[C@H](Nc2cn[nH]c2)CS1 86934834 573703990 /nfs/dbraw/zinc/70/39/90/573703990.db2.gz YAPKIZKDUYXHBM-RQJHMYQMSA-N 0 0 183.280 1.716 10 0 ADAERN C[C@@H](c1nc[nH]n1)C(F)(F)F 75840172 573703994 /nfs/dbraw/zinc/70/39/94/573703994.db2.gz OHNNIKZTOGHKFU-VKHMYHEASA-N 0 0 165.118 1.471 10 0 ADAERN COC(=O)[C@@](C)(CON)C(C)(C)C 257849830 573704005 /nfs/dbraw/zinc/70/40/05/573704005.db2.gz OOEMUZOXXMMJBO-SECBINFHSA-N 0 0 189.255 1.102 10 0 ADAERN COCc1ccc(C=O)c(OC)c1F 258099843 573704023 /nfs/dbraw/zinc/70/40/23/573704023.db2.gz XSACYSBZIHSKDM-UHFFFAOYSA-N 0 0 198.193 1.793 10 0 ADAERN Cc1nc(-c2ccc(N)cc2)cn1C 108240611 573704026 /nfs/dbraw/zinc/70/40/26/573704026.db2.gz XJRUJMNDBXXITD-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ncc(Cl)c1[C@@H]1CCCC1=O 124914701 573704033 /nfs/dbraw/zinc/70/40/33/573704033.db2.gz UMTFQKNNQONGLM-ZCFIWIBFSA-N 0 0 198.653 1.910 10 0 ADAERN C[C@H]1C[C@@](O)(c2ccoc2)CS1 86938798 573704052 /nfs/dbraw/zinc/70/40/52/573704052.db2.gz XLVLIFMPQFKTLR-CBAPKCEASA-N 0 0 184.260 1.993 10 0 ADAERN O=C(C1CCCCC1)[C@H](O)C1CC1 236524852 573704061 /nfs/dbraw/zinc/70/40/61/573704061.db2.gz YIICZLZDTHHJAT-LLVKDONJSA-N 0 0 182.263 1.907 10 0 ADAERN O[C@@H](c1ccncc1F)[C@@H](O)C1CC1 236522768 573704069 /nfs/dbraw/zinc/70/40/69/573704069.db2.gz QYOSKFLBDTZGNZ-UWVGGRQHSA-N 0 0 197.209 1.025 10 0 ADAERN CN(C)c1cccc(C=O)c1F 75844161 573704095 /nfs/dbraw/zinc/70/40/95/573704095.db2.gz KWYUQZRODMLWRE-UHFFFAOYSA-N 0 0 167.183 1.704 10 0 ADAERN CC[C@@H](CC[C@H]1CCCCO1)NN 126856958 573704114 /nfs/dbraw/zinc/70/41/14/573704114.db2.gz RPPFKXWBNHLCGB-VHSXEESVSA-N 0 0 186.299 1.578 10 0 ADAERN Cc1nccn1C1CC1 75838596 573704136 /nfs/dbraw/zinc/70/41/36/573704136.db2.gz XKWHGSSBTIHLIA-UHFFFAOYSA-N 0 0 122.171 1.526 10 0 ADAERN Cn1c(C=O)cc2occc21 108263960 573704149 /nfs/dbraw/zinc/70/41/49/573704149.db2.gz JMZKQXBLERYNFQ-UHFFFAOYSA-N 0 0 149.149 1.584 10 0 ADAERN CC(C)[C@@]1(O)CS[C@H](C)C1 86939274 573704165 /nfs/dbraw/zinc/70/41/65/573704165.db2.gz PXRNLHCAXSMQJK-SFYZADRCSA-N 0 0 160.282 1.899 10 0 ADAERN COC(=O)c1cc2c[nH]c(C)c2n1C 259558738 573704173 /nfs/dbraw/zinc/70/41/73/573704173.db2.gz ICVFWWKNSXRAOB-UHFFFAOYSA-N 0 0 192.218 1.601 10 0 ADAERN Cn1c(C[NH3+])cnc1-c1ccccc1 108252515 573704181 /nfs/dbraw/zinc/70/41/81/573704181.db2.gz VNBLZDWHDAVLQU-UHFFFAOYSA-N 0 0 187.246 1.546 10 0 ADAERN OCc1cnc(CC(F)(F)F)s1 83942981 573704198 /nfs/dbraw/zinc/70/41/98/573704198.db2.gz BASQEUAGYNLNJL-UHFFFAOYSA-N 0 0 197.181 1.740 10 0 ADAERN CCONCCC1CC1 83926619 573704205 /nfs/dbraw/zinc/70/42/05/573704205.db2.gz VGFBQMZQDZBVHV-UHFFFAOYSA-N 0 0 129.203 1.328 10 0 ADAERN Cc1ccoc1[C@H](C)N[C@H](C)C(N)=O 308686809 573704213 /nfs/dbraw/zinc/70/42/13/573704213.db2.gz ZVDNQKYZSJGEGN-JGVFFNPUSA-N 0 0 196.250 1.112 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccoc2)CS1 86938795 573704215 /nfs/dbraw/zinc/70/42/15/573704215.db2.gz XLVLIFMPQFKTLR-APPZFPTMSA-N 0 0 184.260 1.993 10 0 ADAERN COC(=O)[C@](C)(CON)C(C)(C)C 257849831 573704216 /nfs/dbraw/zinc/70/42/16/573704216.db2.gz OOEMUZOXXMMJBO-VIFPVBQESA-N 0 0 189.255 1.102 10 0 ADAERN CC[C@@H](NN)c1cccnc1OC 126874335 573704219 /nfs/dbraw/zinc/70/42/19/573704219.db2.gz FPFNOPPNKHNFAQ-MRVPVSSYSA-N 0 0 181.239 1.005 10 0 ADAERN Cc1ccncc1[C@]1(O)CCSC1 86938035 573704222 /nfs/dbraw/zinc/70/42/22/573704222.db2.gz UMJJPMCENRSZGJ-JTQLQIEISA-N 0 0 195.287 1.715 10 0 ADAERN COc1ncc(CC(C)C)cc1C[NH3+] 257849860 573704228 /nfs/dbraw/zinc/70/42/28/573704228.db2.gz OOQBKRZVNCPXEV-UHFFFAOYSA-N 0 0 194.278 1.747 10 0 ADAERN C[C@@H](c1nncn1C)C(F)(F)F 75840089 573704243 /nfs/dbraw/zinc/70/42/43/573704243.db2.gz VXZZKZHNBIQPAT-BYPYZUCNSA-N 0 0 179.145 1.481 10 0 ADAERN C[NH2+][C@H](C)[C@H](F)Cc1cccc(O)c1 257849802 573704279 /nfs/dbraw/zinc/70/42/79/573704279.db2.gz ONVIIMGWJZIRRV-LDYMZIIASA-N 0 0 197.253 1.881 10 0 ADAERN CC(=O)[C@H](C)[C@H](C)n1nccn1 238483361 573704282 /nfs/dbraw/zinc/70/42/82/573704282.db2.gz XUEWWTLJEODLCG-RQJHMYQMSA-N 0 0 167.212 1.064 10 0 ADAERN [NH3+]C1(CCc2ccc(O)cc2F)CC1 257849891 573704294 /nfs/dbraw/zinc/70/42/94/573704294.db2.gz OPZHGFNXBQHIMZ-UHFFFAOYSA-N 0 0 195.237 1.955 10 0 ADAERN O[C@]1(Cc2ccncc2)CCSC1 86938338 573704303 /nfs/dbraw/zinc/70/43/03/573704303.db2.gz NEEPEVBYWRRRLU-JTQLQIEISA-N 0 0 195.287 1.492 10 0 ADAERN CCSc1nc(N)c[nH]1 257849427 573704307 /nfs/dbraw/zinc/70/43/07/573704307.db2.gz BDLCFIVVDKIWDG-UHFFFAOYSA-N 0 0 143.215 1.104 10 0 ADAERN O[C@@H](C1=CCCCO1)C1(O)CCCC1 236518309 573704315 /nfs/dbraw/zinc/70/43/15/573704315.db2.gz WKAHSRPUQRLXKS-JTQLQIEISA-N 0 0 198.262 1.347 10 0 ADAERN CCO[C@H](C)[C@H](O)Cc1ccoc1 130760827 573704325 /nfs/dbraw/zinc/70/43/25/573704325.db2.gz REBHLNBCBVMKGQ-PSASIEDQSA-N 0 0 184.235 1.608 10 0 ADAERN O[C@@H](c1ccc(F)cc1)[C@@H](O)C1CC1 236522544 573704331 /nfs/dbraw/zinc/70/43/31/573704331.db2.gz MUKYFEYTQBVWHO-QWRGUYRKSA-N 0 0 196.221 1.630 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)CCCN2 238483705 573704341 /nfs/dbraw/zinc/70/43/41/573704341.db2.gz FGRAFZTWVOIBTP-UHFFFAOYSA-N 0 0 164.208 1.041 10 0 ADAERN C[C@H]1CNc2cccc(N)c2N(C)C1 257849327 573704350 /nfs/dbraw/zinc/70/43/50/573704350.db2.gz AZIJNZDLBUEYMW-QMMMGPOBSA-N 0 0 191.278 1.767 10 0 ADAERN Cc1nnc(C2CCCC2)n1C 75840878 573705749 /nfs/dbraw/zinc/70/57/49/573705749.db2.gz BSCRKNQJPYXBRO-UHFFFAOYSA-N 0 0 165.240 1.781 10 0 ADAERN CC[N@@H+]1CC[C@H](CC(=O)[O-])CC1(C)C 259558956 573705750 /nfs/dbraw/zinc/70/57/50/573705750.db2.gz XSJIUJKRVLYWTB-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1cccc2c1C[C@](C)(CO)N2 258100788 573705753 /nfs/dbraw/zinc/70/57/53/573705753.db2.gz IPAJNJDFDVGIBW-LLVKDONJSA-N 0 0 177.247 1.714 10 0 ADAERN C[C@H]1C[C@H](C(=O)C2CCC2)CO1 122149237 573705760 /nfs/dbraw/zinc/70/57/60/573705760.db2.gz WJKPAJKQWZFDCW-CBAPKCEASA-N 0 0 168.236 1.781 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(CO)cs1 83942550 573705767 /nfs/dbraw/zinc/70/57/67/573705767.db2.gz NPJCYQJWZNMIFJ-FSPLSTOPSA-N 0 0 169.249 1.759 10 0 ADAERN C[C@@H]1C[C@](O)(c2cccnc2)CS1 86939251 573705769 /nfs/dbraw/zinc/70/57/69/573705769.db2.gz BOFUEMRXJIOFLH-PSASIEDQSA-N 0 0 195.287 1.795 10 0 ADAERN CC[C@H](C)[C@@H](O)COCC(F)F 130761464 573705787 /nfs/dbraw/zinc/70/57/87/573705787.db2.gz ZUWAXNWKJROTEH-BQBZGAKWSA-N 0 0 182.210 1.675 10 0 ADAERN C[C@H]1C[C@H](n2nccc2N)CS1 86936468 573705794 /nfs/dbraw/zinc/70/57/94/573705794.db2.gz YLUCBFLQUDLQCJ-BQBZGAKWSA-N 0 0 183.280 1.532 10 0 ADAERN O=Cc1cnc(CN2CCCC2)s1 108241420 573705809 /nfs/dbraw/zinc/70/58/09/573705809.db2.gz ZCLDSORXEYVBMJ-UHFFFAOYSA-N 0 0 196.275 1.551 10 0 ADAERN OCc1cnc(-c2ncccn2)s1 83943132 573705817 /nfs/dbraw/zinc/70/58/17/573705817.db2.gz GFXKMTWRVQXEKC-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN Cc1cc(N)n([C@@H]2CS[C@H](C)C2)n1 86936478 573705820 /nfs/dbraw/zinc/70/58/20/573705820.db2.gz CSBFQKPQJFYSDN-SFYZADRCSA-N 0 0 197.307 1.840 10 0 ADAERN OCc1csc(C[C@H]2CCCO2)n1 83942408 573705836 /nfs/dbraw/zinc/70/58/36/573705836.db2.gz DHUGYTOVVWVNAF-MRVPVSSYSA-N 0 0 199.275 1.357 10 0 ADAERN c1nc(CCc2ccoc2)c[nH]1 238014159 573705876 /nfs/dbraw/zinc/70/58/76/573705876.db2.gz YDXJNZIAWXAIIR-UHFFFAOYSA-N 0 0 162.192 1.788 10 0 ADAERN CCn1cc([C@@]2(O)CCSC2)cn1 86937964 573705880 /nfs/dbraw/zinc/70/58/80/573705880.db2.gz ZJZVWDOVFMLVEU-SECBINFHSA-N 0 0 198.291 1.228 10 0 ADAERN CC(C)(C)[C@@]1(O)CCSC1 86938078 573705894 /nfs/dbraw/zinc/70/58/94/573705894.db2.gz HKUVELYUHPDTRC-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN CCCCC[C@@H]1[C@H](O)CC[C@H]1CO 78583628 573705898 /nfs/dbraw/zinc/70/58/98/573705898.db2.gz FPURAQSKBQYHRQ-GARJFASQSA-N 0 0 186.295 1.946 10 0 ADAERN CC(C)(O)c1nc2c(s1)C[NH2+]CC2 75845968 573705899 /nfs/dbraw/zinc/70/58/99/573705899.db2.gz DCBIFEAQJRQBSR-UHFFFAOYSA-N 0 0 198.291 1.016 10 0 ADAERN C[C@H]([NH3+])c1ncnc2c(F)cccc12 257849790 573705930 /nfs/dbraw/zinc/70/59/30/573705930.db2.gz ONRNTPVPIZWKBM-LURJTMIESA-N 0 0 191.209 1.789 10 0 ADAERN C[C@@H]1C[C@@H](Nn2cccc2)CS1 86936401 573705936 /nfs/dbraw/zinc/70/59/36/573705936.db2.gz SHARJGFVHHGWDU-RKDXNWHRSA-N 0 0 182.292 1.926 10 0 ADAERN COc1ccc(CNO)c(OC)c1C 258100860 573705949 /nfs/dbraw/zinc/70/59/49/573705949.db2.gz OSDQUOGSOMBXOU-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN Nc1ccc2c(c1)C(=S)NCC2 108240508 573705951 /nfs/dbraw/zinc/70/59/51/573705951.db2.gz AVPOIFOSWJCGNC-UHFFFAOYSA-N 0 0 178.260 1.090 10 0 ADAERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](O)O1 238484648 573705954 /nfs/dbraw/zinc/70/59/54/573705954.db2.gz AFTIBRTXPVMDDP-IEBDPFPHSA-N 0 0 178.231 1.897 10 0 ADAERN Cc1csc([C@]2(O)CCC[NH2+]C2)n1 108260089 573705959 /nfs/dbraw/zinc/70/59/59/573705959.db2.gz IJJTVDVIBOMWDF-VIFPVBQESA-N 0 0 198.291 1.023 10 0 ADAERN CCN1CCc2ccc(O)cc2C1=O 108240605 573705969 /nfs/dbraw/zinc/70/59/69/573705969.db2.gz SIGGCMQKGNAZSY-UHFFFAOYSA-N 0 0 191.230 1.410 10 0 ADAERN OCc1csc(-c2ccoc2)n1 83942380 573705970 /nfs/dbraw/zinc/70/59/70/573705970.db2.gz JWYNHKCEVSOSLK-UHFFFAOYSA-N 0 0 181.216 1.895 10 0 ADAERN C[C@@H](c1ccccc1)c1nncn1C 75842193 573705985 /nfs/dbraw/zinc/70/59/85/573705985.db2.gz PAEWSHQJPWIDLV-VIFPVBQESA-N 0 0 187.246 1.967 10 0 ADAERN OC[C@H]1CC2CC1C2 257849416 573705999 /nfs/dbraw/zinc/70/59/99/573705999.db2.gz RFGJEPXOGFSJBH-KPGICGJXSA-N 0 0 112.172 1.025 10 0 ADAERN C[C@@H]1C[C@H](c2cccnc2)NC1=O 238484735 573706016 /nfs/dbraw/zinc/70/60/16/573706016.db2.gz CWPNYWQKWWRNQW-VXNVDRBHSA-N 0 0 176.219 1.279 10 0 ADAERN Cc1nc2c(=S)[nH]cnc2o1 238484649 573706041 /nfs/dbraw/zinc/70/60/41/573706041.db2.gz YWTRFJFREIQMOP-UHFFFAOYSA-N 0 0 167.193 1.589 10 0 ADAERN CCOC(=O)[C@@H]1[C@H](OC)C12CCCC2 259558751 573706043 /nfs/dbraw/zinc/70/60/43/573706043.db2.gz ICYUSUGHDGMAHE-IUCAKERBSA-N 0 0 198.262 1.755 10 0 ADAERN C[C@H](O)C/C=C\Br 223299707 573706045 /nfs/dbraw/zinc/70/60/45/573706045.db2.gz POHROAHUAABZAX-PSRSYCBASA-N 0 0 165.030 1.666 10 0 ADAERN C=C/C(Cl)=C/[C@H](C)CO 393567603 573706048 /nfs/dbraw/zinc/70/60/48/573706048.db2.gz RNECFPDMQDGRJF-BBEKVSQQSA-N 0 0 146.617 1.924 10 0 ADAERN Cc1ccc2nc(CO)oc2c1 75844769 573706049 /nfs/dbraw/zinc/70/60/49/573706049.db2.gz CBAZATSITUXGFR-UHFFFAOYSA-N 0 0 163.176 1.629 10 0 ADAERN C[C@H]1C[C@](O)(c2nccn2C)CS1 86938513 573706052 /nfs/dbraw/zinc/70/60/52/573706052.db2.gz TZUJNSJMWBSOTI-IONNQARKSA-N 0 0 198.291 1.133 10 0 ADAERN OCc1cnc([C@H]2CCCOC2)s1 83942855 573706054 /nfs/dbraw/zinc/70/60/54/573706054.db2.gz PBUBPPNPYVNCHR-ZETCQYMHSA-N 0 0 199.275 1.529 10 0 ADAERN O=C(C1CC1)[C@H](O)C1CCCCC1 236532238 573706055 /nfs/dbraw/zinc/70/60/55/573706055.db2.gz OKRIVBTTWFHKAJ-SNVBAGLBSA-N 0 0 182.263 1.907 10 0 ADAERN COc1cccc2nnc(C)n12 258100124 573706058 /nfs/dbraw/zinc/70/60/58/573706058.db2.gz XFGAJEGIGJLFME-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN C[C@H]1C[C@@](O)(c2cnccn2)CS1 86939168 573706061 /nfs/dbraw/zinc/70/60/61/573706061.db2.gz WQXSCBMYJNONRI-CBAPKCEASA-N 0 0 196.275 1.190 10 0 ADAERN CC(C)c1ccc(F)c([C@H]([NH3+])CO)c1 258101010 573706065 /nfs/dbraw/zinc/70/60/65/573706065.db2.gz OUUPXUMNTOZXBP-LLVKDONJSA-N 0 0 197.253 1.941 10 0 ADAERN C[C@@H](c1nccn1O)C(F)(F)F 75840016 573706068 /nfs/dbraw/zinc/70/60/68/573706068.db2.gz VAFMNHQMBQRSCR-BYPYZUCNSA-N 0 0 180.129 1.786 10 0 ADAERN OCc1cnc([C@@H]2CCCOC2)s1 83942852 573706081 /nfs/dbraw/zinc/70/60/81/573706081.db2.gz PBUBPPNPYVNCHR-SSDOTTSWSA-N 0 0 199.275 1.529 10 0 ADAERN Cc1nnc([C@@H](C)C(F)(F)F)n1C 75840101 573706084 /nfs/dbraw/zinc/70/60/84/573706084.db2.gz TZBALNWLSGCUBU-SCSAIBSYSA-N 0 0 193.172 1.789 10 0 ADAERN Cn1c(C[NH3+])cnc1-c1cccs1 108252641 573706088 /nfs/dbraw/zinc/70/60/88/573706088.db2.gz XQUZNRSXNZRDNK-UHFFFAOYSA-N 0 0 193.275 1.607 10 0 ADAERN C[C@@H]1C[C@H](n2nccc2N)CS1 86936467 573706090 /nfs/dbraw/zinc/70/60/90/573706090.db2.gz YLUCBFLQUDLQCJ-RQJHMYQMSA-N 0 0 183.280 1.532 10 0 ADAERN C[C@H](C1CC1)N(C)c1cncc(N)c1 122151094 573706105 /nfs/dbraw/zinc/70/61/05/573706105.db2.gz RASBIFUOKXCXIR-MRVPVSSYSA-N 0 0 191.278 1.899 10 0 ADAERN O=Cc1cccc(-n2ccnc2)c1F 75844180 573706127 /nfs/dbraw/zinc/70/61/27/573706127.db2.gz TVHMJTZXNVHXLL-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1cscn1 236535120 573706141 /nfs/dbraw/zinc/70/61/41/573706141.db2.gz RHXRIPZJEKQEEG-VXNVDRBHSA-N 0 0 199.275 1.083 10 0 ADAERN Cc1cc2c(cn1)C(=O)CCO2 238484652 573706144 /nfs/dbraw/zinc/70/61/44/573706144.db2.gz VEGYJOIDADNFKV-UHFFFAOYSA-N 0 0 163.176 1.355 10 0 ADAERN [NH3+][C@H](CO)c1c(F)ccc2occc12 258101062 573706168 /nfs/dbraw/zinc/70/61/68/573706168.db2.gz OVEOMATWZHHLNS-MRVPVSSYSA-N 0 0 195.193 1.564 10 0 ADAERN C[C@@H]1CNc2cccc(N)c2N(C)C1 257849325 573706179 /nfs/dbraw/zinc/70/61/79/573706179.db2.gz AZIJNZDLBUEYMW-MRVPVSSYSA-N 0 0 191.278 1.767 10 0 ADAERN C[C@H]1C[C@H](Nc2ccn(C)n2)CS1 86935211 573706192 /nfs/dbraw/zinc/70/61/92/573706192.db2.gz KLKVJZXYXHYPPR-YUMQZZPRSA-N 0 0 197.307 1.726 10 0 ADAERN C[C@@H]1C[C@H]1c1ncc(CO)s1 83943126 573706193 /nfs/dbraw/zinc/70/61/93/573706193.db2.gz FAXJLKVRUQNMNE-IYSWYEEDSA-N 0 0 169.249 1.759 10 0 ADAERN OCc1nc2ccncc2s1 75844618 573706223 /nfs/dbraw/zinc/70/62/23/573706223.db2.gz PEJOYAQGWWDRIB-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN CCOC(=O)[C@H]1[C@H](OC)C12CCCC2 259558745 573706244 /nfs/dbraw/zinc/70/62/44/573706244.db2.gz ICYUSUGHDGMAHE-BDAKNGLRSA-N 0 0 198.262 1.755 10 0 ADAERN O[C@@H]1COC[C@H]1Cc1ccc(F)cc1 687965036 573706258 /nfs/dbraw/zinc/70/62/58/573706258.db2.gz UXTSXNNSERSRFJ-MWLCHTKSSA-N 0 0 196.221 1.376 10 0 ADAERN CCn1cc([C@]2(O)CCSC2)cn1 86937963 573706260 /nfs/dbraw/zinc/70/62/60/573706260.db2.gz ZJZVWDOVFMLVEU-VIFPVBQESA-N 0 0 198.291 1.228 10 0 ADAERN OCc1csc(C[C@@H]2CCCO2)n1 83942406 573706291 /nfs/dbraw/zinc/70/62/91/573706291.db2.gz DHUGYTOVVWVNAF-QMMMGPOBSA-N 0 0 199.275 1.357 10 0 ADAERN O[C@@H]1CCOC[C@H]1CC1CC1 236532836 573706296 /nfs/dbraw/zinc/70/62/96/573706296.db2.gz IOIVMQUGFXEYQC-RKDXNWHRSA-N 0 0 156.225 1.184 10 0 ADAERN OCc1csc(CC(F)(F)F)n1 83942568 573706301 /nfs/dbraw/zinc/70/63/01/573706301.db2.gz HGYQAULASICCQD-UHFFFAOYSA-N 0 0 197.181 1.740 10 0 ADAERN CCC(=O)[C@H](O)C1CCCC1 258887960 573706302 /nfs/dbraw/zinc/70/63/02/573706302.db2.gz TWSWGZIQFMDQHA-SECBINFHSA-N 0 0 156.225 1.517 10 0 ADAERN Cc1nc(CN(C)C)sc1C=O 108241551 573706335 /nfs/dbraw/zinc/70/63/35/573706335.db2.gz DFXRBYXRIBLLHJ-UHFFFAOYSA-N 0 0 184.264 1.326 10 0 ADAERN COc1nc(C)c(C)nc1Cl 83941038 573706354 /nfs/dbraw/zinc/70/63/54/573706354.db2.gz DCPAWKRCHKUFHR-UHFFFAOYSA-N 0 0 172.615 1.755 10 0 ADAERN C[C@H]1C[C@@](O)(C(F)(F)F)CS1 86939009 573706360 /nfs/dbraw/zinc/70/63/60/573706360.db2.gz WQVRSPVYARXQNM-WHFBIAKZSA-N 0 0 186.198 1.805 10 0 ADAERN COc1cc(O)cc([C@@H](C)[NH3+])c1OC 258100911 573706367 /nfs/dbraw/zinc/70/63/67/573706367.db2.gz OTNVEJLFZADRKA-ZCFIWIBFSA-N 0 0 197.234 1.429 10 0 ADAERN CC[C@H](NN)c1cccnc1OC 126874116 573706397 /nfs/dbraw/zinc/70/63/97/573706397.db2.gz FPFNOPPNKHNFAQ-QMMMGPOBSA-N 0 0 181.239 1.005 10 0 ADAERN CCc1c(C)cc(C=O)n1C 108264019 573706407 /nfs/dbraw/zinc/70/64/07/573706407.db2.gz KEMZEQHQNYVCJO-UHFFFAOYSA-N 0 0 151.209 1.708 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(CO)cs1 83942552 573706419 /nfs/dbraw/zinc/70/64/19/573706419.db2.gz NPJCYQJWZNMIFJ-IYSWYEEDSA-N 0 0 169.249 1.759 10 0 ADAERN CC(C)n1nccc1[C@@H](C)[NH3+] 75845340 573706448 /nfs/dbraw/zinc/70/64/48/573706448.db2.gz CBDVAHABJDENDR-SSDOTTSWSA-N 0 0 153.229 1.484 10 0 ADAERN CN(C)c1ccc2oc(C=O)nc2c1 75844319 573706454 /nfs/dbraw/zinc/70/64/54/573706454.db2.gz RDQODVZFMUFNQH-UHFFFAOYSA-N 0 0 190.202 1.706 10 0 ADAERN C[C@H]1C[C@H]1c1nc(CO)cs1 83942555 573706455 /nfs/dbraw/zinc/70/64/55/573706455.db2.gz NPJCYQJWZNMIFJ-CAHLUQPWSA-N 0 0 169.249 1.759 10 0 ADAERN C[C@@H](O)c1c(F)ccc2c1CCO2 258100943 573706457 /nfs/dbraw/zinc/70/64/57/573706457.db2.gz OTVBKDXFJATGHH-ZCFIWIBFSA-N 0 0 182.194 1.814 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccnn2C)CS1 86938934 573706462 /nfs/dbraw/zinc/70/64/62/573706462.db2.gz MIUJJJLYZAOAFL-APPZFPTMSA-N 0 0 198.291 1.133 10 0 ADAERN COc1ccc(OCC2COC2)cc1 259176899 573706474 /nfs/dbraw/zinc/70/64/74/573706474.db2.gz YPFGYDWWJCOZJR-UHFFFAOYSA-N 0 0 194.230 1.720 10 0 ADAERN O[C@H](Cn1cccc1)C(F)(F)F 236540626 573706488 /nfs/dbraw/zinc/70/64/88/573706488.db2.gz SZTMHKKWJSAHHR-ZCFIWIBFSA-N 0 0 179.141 1.411 10 0 ADAERN C[C@H]1C[C@@H](Nc2ccn(C)n2)CS1 86935213 573706499 /nfs/dbraw/zinc/70/64/99/573706499.db2.gz KLKVJZXYXHYPPR-JGVFFNPUSA-N 0 0 197.307 1.726 10 0 ADAERN O[C@H](C1CCCC1)[C@H](O)C1CC1 236531324 573706517 /nfs/dbraw/zinc/70/65/17/573706517.db2.gz OPYKRLIFODLQME-NXEZZACHSA-N 0 0 170.252 1.308 10 0 ADAERN C[NH2+][C@@H](C)[C@@H](F)Cc1cccc(O)c1 257849801 573705738 /nfs/dbraw/zinc/70/57/38/573705738.db2.gz ONVIIMGWJZIRRV-KWQFWETISA-N 0 0 197.253 1.881 10 0 ADAERN CN1CCC[C@H]1c1nc(C=O)co1 258101682 573711330 /nfs/dbraw/zinc/71/13/30/573711330.db2.gz NLZDICMTIQLNNC-QMMMGPOBSA-N 0 0 180.207 1.254 10 0 ADAERN C[C@H]1CC[C@@]1(Cl)CO 238491064 573711347 /nfs/dbraw/zinc/71/13/47/573711347.db2.gz LNZFGWWONUCYPK-NTSWFWBYSA-N 0 0 134.606 1.386 10 0 ADAERN CN1CCc2cc(C3(O)CC3)ccc21 258096004 573711351 /nfs/dbraw/zinc/71/13/51/573711351.db2.gz OGZZJSOAPPZGIH-UHFFFAOYSA-N 0 0 189.258 1.660 10 0 ADAERN C[C@@H]1C[C@@]2(CS1)CC(=O)N[C@@H]2C 86941683 573711364 /nfs/dbraw/zinc/71/13/64/573711364.db2.gz RIFMZGLTFYIHLA-BHNWBGBOSA-N 0 0 185.292 1.407 10 0 ADAERN Cc1ccc(C(=O)CN)c(C)c1O 258095754 573711365 /nfs/dbraw/zinc/71/13/65/573711365.db2.gz XEAZPIFOXKVJAG-UHFFFAOYSA-N 0 0 179.219 1.150 10 0 ADAERN C[C@H](O)[C@@H](F)C1CC1 257850241 573711370 /nfs/dbraw/zinc/71/13/70/573711370.db2.gz RJUYEGOUCJAKGH-UJURSFKZSA-N 0 0 118.151 1.115 10 0 ADAERN CC(C)[C@@H](O)c1c(Cl)cnn1C 75853873 573711376 /nfs/dbraw/zinc/71/13/76/573711376.db2.gz YGBODRLDRBNPQZ-MRVPVSSYSA-N 0 0 188.658 1.763 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CS[C@@H](C)C2 86941701 573711378 /nfs/dbraw/zinc/71/13/78/573711378.db2.gz YMZCBBQTNFYDPG-OYNCUSHFSA-N 0 0 199.319 1.797 10 0 ADAERN O[C@@H]1C=C(Cc2ccccn2)CC1 83952340 573711383 /nfs/dbraw/zinc/71/13/83/573711383.db2.gz IQMDEKMEMLXGOT-NSHDSACASA-N 0 0 175.231 1.705 10 0 ADAERN CC(C)Cc1cnc(NC#N)nc1 259177017 573711405 /nfs/dbraw/zinc/71/14/05/573711405.db2.gz GPUUEPNAEJGMGE-UHFFFAOYSA-N 0 0 176.223 1.568 10 0 ADAERN CN1N=CC(=O)C1c1ccc(O)cc1 257854090 573710683 /nfs/dbraw/zinc/71/06/83/573710683.db2.gz PNRQJOGOHVPSDR-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN Cn1c(C=O)ccc1-c1ccncc1 108267511 573710696 /nfs/dbraw/zinc/71/06/96/573710696.db2.gz SHIPDHFLFXKTIO-UHFFFAOYSA-N 0 0 186.214 1.900 10 0 ADAERN C[C@H]1CS[C@@H](CCCCO)[NH2+]1 238490792 573710708 /nfs/dbraw/zinc/71/07/08/573710708.db2.gz JQDBAAIPDNRKNK-YUMQZZPRSA-N 0 0 175.297 1.200 10 0 ADAERN C[C@H]1CCCCC[C@@H]1NC(N)=S 83949460 573710710 /nfs/dbraw/zinc/71/07/10/573710710.db2.gz HSCJXDXWUGDIKQ-YUMQZZPRSA-N 0 0 186.324 1.788 10 0 ADAERN Cc1c(F)ccc2ccnn12 238491104 573710719 /nfs/dbraw/zinc/71/07/19/573710719.db2.gz CTKILQBALOLXQC-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN C[C@@H](CO)c1c(F)ccc(F)c1O 258096062 573710733 /nfs/dbraw/zinc/71/07/33/573710733.db2.gz OHFMGXRJNMRNNU-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN Cc1cc(CO)ncc1F 238491053 573710746 /nfs/dbraw/zinc/71/07/46/573710746.db2.gz RBZAHSLCDUNORS-UHFFFAOYSA-N 0 0 141.145 1.021 10 0 ADAERN Cc1cc(=O)[nH]nc1Br 238491208 573710752 /nfs/dbraw/zinc/71/07/52/573710752.db2.gz XULYQFUMVSQDHJ-UHFFFAOYSA-N 0 0 189.012 1.253 10 0 ADAERN CSCC(=O)Cc1ccccn1 83951130 573710769 /nfs/dbraw/zinc/71/07/69/573710769.db2.gz PPHUWAZKDIDRAC-UHFFFAOYSA-N 0 0 181.260 1.556 10 0 ADAERN CC1CCC(C(=O)NC[C@H](C)O)CC1 122183655 573710771 /nfs/dbraw/zinc/71/07/71/573710771.db2.gz PXORPYHVXVAREC-KYHHOPLUSA-N 0 0 199.294 1.310 10 0 ADAERN O[C@H]1CC[C@H](Cc2ccncc2)C1 83952244 573710784 /nfs/dbraw/zinc/71/07/84/573710784.db2.gz JZPKZHYLVDQBPA-MNOVXSKESA-N 0 0 177.247 1.785 10 0 ADAERN CCCCN1N=C(CCC)C(N)C1=O 130795387 573710791 /nfs/dbraw/zinc/71/07/91/573710791.db2.gz VBUFCINGRWIUJO-UHFFFAOYSA-N 0 0 197.282 1.924 10 0 ADAERN O[C@@H](Cc1ccncc1)[C@@H]1CCCO1 83951414 573710818 /nfs/dbraw/zinc/71/08/18/573710818.db2.gz PCHZWMVGNQRVOT-QWRGUYRKSA-N 0 0 193.246 1.164 10 0 ADAERN CN(C)c1cccc(C(N)=S)c1F 75851749 573710819 /nfs/dbraw/zinc/71/08/19/573710819.db2.gz VCKFJDGPXGFVND-UHFFFAOYSA-N 0 0 198.266 1.526 10 0 ADAERN Cc1cc(C)c2c(n1)OCC2=O 238490516 573710828 /nfs/dbraw/zinc/71/08/28/573710828.db2.gz VVNSFPNIKXYFPT-UHFFFAOYSA-N 0 0 163.176 1.274 10 0 ADAERN COC(=O)CC[C@@H]1CSC[C@@H]1F 259619043 573710854 /nfs/dbraw/zinc/71/08/54/573710854.db2.gz GBNJYDINABUKKB-RQJHMYQMSA-N 0 0 192.255 1.641 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1ccncc1 83950242 573710878 /nfs/dbraw/zinc/71/08/78/573710878.db2.gz XXVINKBNNMVFSC-WPRPVWTQSA-N 0 0 175.231 1.849 10 0 ADAERN C[N@@H+]1CC[C@@H](C[C@](C)(F)C(=O)[O-])C1 257850477 573710889 /nfs/dbraw/zinc/71/08/89/573710889.db2.gz OSRUFCHFINKDQS-CBAPKCEASA-N 0 0 189.230 1.141 10 0 ADAERN COc1ccc2nc(C(C)C)nn2c1 258101876 573710893 /nfs/dbraw/zinc/71/08/93/573710893.db2.gz YDMXWAYFXNTHAO-UHFFFAOYSA-N 0 0 191.234 1.861 10 0 ADAERN CC(C)C[C@@]1(C)COC(N)=N1 83952570 573710901 /nfs/dbraw/zinc/71/09/01/573710901.db2.gz DSINGSYNTRNCRY-QMMMGPOBSA-N 0 0 156.229 1.136 10 0 ADAERN Cc1cc(=O)[nH]c2c1[C@H](C)O[C@H](C)C2 238491109 573710915 /nfs/dbraw/zinc/71/09/15/573710915.db2.gz VOCZAQXEUMINEO-SFYZADRCSA-N 0 0 193.246 1.706 10 0 ADAERN C[C@@H]1C[C@@]2(CNC(=O)C2)CS1 86941676 573710917 /nfs/dbraw/zinc/71/09/17/573710917.db2.gz SIDDEWFHURLDMA-HTRCEHHLSA-N 0 0 171.265 1.018 10 0 ADAERN Nc1ncc(Cc2ccccn2)s1 83951154 573710920 /nfs/dbraw/zinc/71/09/20/573710920.db2.gz CYPWYUXFLGIQMM-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN Cc1cc(C(C)(C)C)n(C(N)=O)n1 238490991 573710921 /nfs/dbraw/zinc/71/09/21/573710921.db2.gz MQIMIOPPBINTBF-UHFFFAOYSA-N 0 0 181.239 1.416 10 0 ADAERN O[C@@H](Cc1ccncc1)C1CCC1 83951349 573710931 /nfs/dbraw/zinc/71/09/31/573710931.db2.gz LHTTVHCYFHBUKP-NSHDSACASA-N 0 0 177.247 1.785 10 0 ADAERN C[C@](O)(c1nccs1)C(F)(F)F 75846230 573710934 /nfs/dbraw/zinc/71/09/34/573710934.db2.gz QKHFNJUSNVDDEA-YFKPBYRVSA-N 0 0 197.181 1.913 10 0 ADAERN NCC(=O)c1cccc2ccncc12 108267523 573710937 /nfs/dbraw/zinc/71/09/37/573710937.db2.gz USHOHESSQKUXEL-UHFFFAOYSA-N 0 0 186.214 1.376 10 0 ADAERN C[C@H]1CCC2(CCOCC2)C(=O)N1 238490660 573710939 /nfs/dbraw/zinc/71/09/39/573710939.db2.gz XFBVXRUHXUIYLI-QMMMGPOBSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@H](O)[C@H](F)C1CC1 257850243 573710940 /nfs/dbraw/zinc/71/09/40/573710940.db2.gz RJUYEGOUCJAKGH-XINAWCOVSA-N 0 0 118.151 1.115 10 0 ADAERN Cc1cc(C(C)(C)C)nn1C(N)=O 238491123 573710952 /nfs/dbraw/zinc/71/09/52/573710952.db2.gz GIQLWLJSOUQXBL-UHFFFAOYSA-N 0 0 181.239 1.416 10 0 ADAERN C[C@@](O)(Cc1ccncc1)C1CC1 83950609 573710958 /nfs/dbraw/zinc/71/09/58/573710958.db2.gz IDNGSODECOATOQ-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN COCc1cccc(OC)c1CCO 258096162 573710961 /nfs/dbraw/zinc/71/09/61/573710961.db2.gz OIJHJYPHYNPORR-UHFFFAOYSA-N 0 0 196.246 1.376 10 0 ADAERN O[C@@H]1CC[C@@H](Cc2ccncc2)C1 83952246 573710972 /nfs/dbraw/zinc/71/09/72/573710972.db2.gz JZPKZHYLVDQBPA-WDEREUQCSA-N 0 0 177.247 1.785 10 0 ADAERN C[C@@H]1C[C@]2(CNC(=O)C2)CS1 86941672 573710996 /nfs/dbraw/zinc/71/09/96/573710996.db2.gz SIDDEWFHURLDMA-SVRRBLITSA-N 0 0 171.265 1.018 10 0 ADAERN C[C@@H](NC=O)c1c[nH]c2ccccc12 198513093 573711005 /nfs/dbraw/zinc/71/10/05/573711005.db2.gz AWLMXYGBQMPHPN-MRVPVSSYSA-N 0 0 188.230 1.975 10 0 ADAERN Cc1nc([C@@H](C)O)n(C)c1C 75852963 573711022 /nfs/dbraw/zinc/71/10/22/573711022.db2.gz CYSTZDVQMHTMFH-SSDOTTSWSA-N 0 0 154.213 1.090 10 0 ADAERN c1n[nH]cc1OC1CCCC1 238011995 573711040 /nfs/dbraw/zinc/71/10/40/573711040.db2.gz NIWXULATULKBPN-UHFFFAOYSA-N 0 0 152.197 1.731 10 0 ADAERN CC1(C)CCCC(=O)[C@@]1(C)O 224598528 573711047 /nfs/dbraw/zinc/71/10/47/573711047.db2.gz LWYNFVHUPFHDEB-SECBINFHSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@H]1N=C(c2ccccc2O)OC1=O 238491178 573711048 /nfs/dbraw/zinc/71/10/48/573711048.db2.gz QOFKDVZJONSSTM-ZCFIWIBFSA-N 0 0 191.186 1.084 10 0 ADAERN CC(C)[C@@H](O)c1cccc(N)c1 75853417 573711076 /nfs/dbraw/zinc/71/10/76/573711076.db2.gz SMJMHSJDFIXSER-SNVBAGLBSA-N 0 0 165.236 1.958 10 0 ADAERN Nc1ccc(Cc2ccccn2)cn1 83951161 573711088 /nfs/dbraw/zinc/71/10/88/573711088.db2.gz PKGOIRQGDRBBNK-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN O[C@H]1CCC[C@@H]1Cc1cncc(F)c1 236553067 573711105 /nfs/dbraw/zinc/71/11/05/573711105.db2.gz BCZRWCPQQPHHFY-KOLCDFICSA-N 0 0 195.237 1.924 10 0 ADAERN Cc1cc(C(C)(C)C)[nH]c(=O)n1 238491077 573711115 /nfs/dbraw/zinc/71/11/15/573711115.db2.gz KZBBJYYDEPPLTF-UHFFFAOYSA-N 0 0 166.224 1.788 10 0 ADAERN Cc1cc(=O)[nH]c2c1[C@@H](C)O[C@H](C)C2 238491082 573711138 /nfs/dbraw/zinc/71/11/38/573711138.db2.gz VOCZAQXEUMINEO-HTQZYQBOSA-N 0 0 193.246 1.706 10 0 ADAERN COCC(=O)[C@@H](OC)c1ccccc1 146068183 573711149 /nfs/dbraw/zinc/71/11/49/573711149.db2.gz KKGZCVAWXZEVFK-NSHDSACASA-N 0 0 194.230 1.590 10 0 ADAERN CC(C)(O)C(=O)c1cccc(CO)c1 224598948 573711190 /nfs/dbraw/zinc/71/11/90/573711190.db2.gz UZFYJOPHCKOAKF-UHFFFAOYSA-N 0 0 194.230 1.133 10 0 ADAERN C[C@@H]1C[C@@](C)(O)CS1 86939624 573711202 /nfs/dbraw/zinc/71/12/02/573711202.db2.gz ZYXONTWVZBEDFP-PHDIDXHHSA-N 0 0 132.228 1.263 10 0 ADAERN C[C@@H]1C[C@]2(CS1)CC(=O)N[C@@H]2C 86941679 573711206 /nfs/dbraw/zinc/71/12/06/573711206.db2.gz RIFMZGLTFYIHLA-ZXFLCMHBSA-N 0 0 185.292 1.407 10 0 ADAERN O[C@@H](Cc1ccccn1)C1CCC1 83951351 573711209 /nfs/dbraw/zinc/71/12/09/573711209.db2.gz RGVSTJBLKVTQHA-NSHDSACASA-N 0 0 177.247 1.785 10 0 ADAERN CN1CCC[C@@H]1c1nc(C=O)co1 258101678 573711219 /nfs/dbraw/zinc/71/12/19/573711219.db2.gz NLZDICMTIQLNNC-MRVPVSSYSA-N 0 0 180.207 1.254 10 0 ADAERN C[C@@H]1SCCC[C@@H]1n1nccc1N 86945823 573711222 /nfs/dbraw/zinc/71/12/22/573711222.db2.gz OIFDEBSAVYSEMA-YUMQZZPRSA-N 0 0 197.307 1.922 10 0 ADAERN C[C@H](O)c1nc2cccnc2n1C 75853031 573711240 /nfs/dbraw/zinc/71/12/40/573711240.db2.gz CMGUPHCILUVQSW-LURJTMIESA-N 0 0 177.207 1.022 10 0 ADAERN C[C@H]1CC[C@@](O)(C(N)=O)CC(C)(C)C1 238490881 573711246 /nfs/dbraw/zinc/71/12/46/573711246.db2.gz FMGRQMNERXYCDD-KWQFWETISA-N 0 0 199.294 1.439 10 0 ADAERN O=C1CC[C@H](Cc2ccccn2)C1 83951901 573711252 /nfs/dbraw/zinc/71/12/52/573711252.db2.gz IINBPNCRLDMTGL-SECBINFHSA-N 0 0 175.231 1.993 10 0 ADAERN O[C@H]1CCOC[C@H]1CCC1CC1 236561038 573711253 /nfs/dbraw/zinc/71/12/53/573711253.db2.gz XTHUTOGGKRCMGJ-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@@H]1CCCCC[C@H]1[NH2+]CC(=O)[O-] 83949047 573711258 /nfs/dbraw/zinc/71/12/58/573711258.db2.gz LAOFBXCLQLOQOB-RKDXNWHRSA-N 0 0 185.267 1.629 10 0 ADAERN Oc1ccc(F)c(CC2(O)CC2)c1 258101082 573711262 /nfs/dbraw/zinc/71/12/62/573711262.db2.gz OVPSRJKGBZRBDF-UHFFFAOYSA-N 0 0 182.194 1.599 10 0 ADAERN CC(C)c1nnc2n1[C@@H](CO)CCC2 258417983 573711274 /nfs/dbraw/zinc/71/12/74/573711274.db2.gz VTWVLKFWJTXCCZ-MRVPVSSYSA-N 0 0 195.266 1.271 10 0 ADAERN C[C@H]1CC[C@@]([NH3+])(C(=O)[O-])CC1(C)C 238490735 573711279 /nfs/dbraw/zinc/71/12/79/573711279.db2.gz RKTIDDLCNRDACA-XVKPBYJWSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H](O)c1ccnn1-c1ccccc1 75853223 573711281 /nfs/dbraw/zinc/71/12/81/573711281.db2.gz ZBYMXPSWJTWWGB-VIFPVBQESA-N 0 0 188.230 1.926 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1NC(N)=O 83949475 573711282 /nfs/dbraw/zinc/71/12/82/573711282.db2.gz IOAUBIKNQSXTCW-SFYZADRCSA-N 0 0 170.256 1.624 10 0 ADAERN O[C@H](c1ccncc1F)[C@H]1CCOC1 122193936 573711285 /nfs/dbraw/zinc/71/12/85/573711285.db2.gz LLTZEPWDJFAJLI-XVKPBYJWSA-N 0 0 197.209 1.291 10 0 ADAERN C[C@H]1C[C@](C)(O)CS1 86939631 573711293 /nfs/dbraw/zinc/71/12/93/573711293.db2.gz ZYXONTWVZBEDFP-WDSKDSINSA-N 0 0 132.228 1.263 10 0 ADAERN Cc1cccc2sc(C(N)=O)nc12 75847417 573711300 /nfs/dbraw/zinc/71/13/00/573711300.db2.gz YXFRQGKZXJJXBZ-UHFFFAOYSA-N 0 0 192.243 1.704 10 0 ADAERN CC(C)n1ccnc1C(N)=S 75851887 573711310 /nfs/dbraw/zinc/71/13/10/573711310.db2.gz SYJZUSJDGHVHOD-UHFFFAOYSA-N 0 0 169.253 1.098 10 0 ADAERN CC(C)n1oc(=O)c2ccc(N)cc21 257854097 573711316 /nfs/dbraw/zinc/71/13/16/573711316.db2.gz PNTJGGOYXIZLNA-UHFFFAOYSA-N 0 0 192.218 1.758 10 0 ADAERN CC(=O)C(=O)N(C)CC1CCCC1 258889425 573713947 /nfs/dbraw/zinc/71/39/47/573713947.db2.gz HPCBNJZUCDWGKQ-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN OCC[C@H]1CCC[C@@H]1F 108280545 573713951 /nfs/dbraw/zinc/71/39/51/573713951.db2.gz JGWRGFPVXXSJSS-RQJHMYQMSA-N 0 0 132.178 1.507 10 0 ADAERN Cc1nc(C(F)F)c(CO)cc1F 238492949 573713954 /nfs/dbraw/zinc/71/39/54/573713954.db2.gz AXLGOPNHTVENNO-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC[C@H]1CCC[C@@]2(COC(N)=N2)C1 83964763 573713955 /nfs/dbraw/zinc/71/39/55/573713955.db2.gz WCTKLMDHKBLVND-WPRPVWTQSA-N 0 0 182.267 1.670 10 0 ADAERN COC(=O)/C=C/C=C\[C@@H](O)C(C)C 393554920 573713965 /nfs/dbraw/zinc/71/39/65/573713965.db2.gz KWSJSNMUYXPLFJ-IHCJKSPBSA-N 0 0 184.235 1.289 10 0 ADAERN OCC[C@@H]1CC[C@@H](F)C1 108280531 573713977 /nfs/dbraw/zinc/71/39/77/573713977.db2.gz PWRSPPYRZMJKKI-NKWVEPMBSA-N 0 0 132.178 1.507 10 0 ADAERN Cc1c[nH]c(=O)n1-c1ccccc1O 108268069 573713986 /nfs/dbraw/zinc/71/39/86/573713986.db2.gz PKGGIMRFPPDZSK-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN CC(C)CC[C@]1(C)COC(N)=N1 83964610 573713996 /nfs/dbraw/zinc/71/39/96/573713996.db2.gz DNYRZDQBUKEVGE-SECBINFHSA-N 0 0 170.256 1.526 10 0 ADAERN O[C@@H](Cc1ccoc1)CC1CC1 130866270 573713999 /nfs/dbraw/zinc/71/39/99/573713999.db2.gz UUBMPLGIFZEHDU-SNVBAGLBSA-N 0 0 166.220 1.983 10 0 ADAERN Cc1[nH]cc(O)c1C(=O)OC(C)(C)C 238492637 573714008 /nfs/dbraw/zinc/71/40/08/573714008.db2.gz UOMPWEGLIUEHHY-UHFFFAOYSA-N 0 0 197.234 1.984 10 0 ADAERN C[C@H]1NC(=O)[C@@]2(c3ccccc3)C[C@@H]12 238492810 573713277 /nfs/dbraw/zinc/71/32/77/573713277.db2.gz FHBJZUVDVDMVQM-UBHAPETDSA-N 0 0 187.242 1.463 10 0 ADAERN Cc1ccc(O)c(-c2c[nH]nc2N)c1 258095979 573713280 /nfs/dbraw/zinc/71/32/80/573713280.db2.gz OGSKYXGIRCZXMV-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN C[NH2+]C1CCC(=CC(=O)[O-])CC1 108278443 573713298 /nfs/dbraw/zinc/71/32/98/573713298.db2.gz BYOOVZDQKMYMDB-UHFFFAOYSA-N 0 0 169.224 1.159 10 0 ADAERN COC[C@@H](C)[C@H](C)NC(=O)C1CC1 393555151 573713301 /nfs/dbraw/zinc/71/33/01/573713301.db2.gz LCZNFWJGZKZEMQ-SFYZADRCSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@@H]1CC[C@]2(COC(N)=N2)[C@H](C)C1 83964574 573713305 /nfs/dbraw/zinc/71/33/05/573713305.db2.gz KSAWSBKJQIONBX-MRTMQBJTSA-N 0 0 182.267 1.526 10 0 ADAERN CCOc1cccc(C(C)=O)c1O 108277583 573713323 /nfs/dbraw/zinc/71/33/23/573713323.db2.gz VGJYXDBLDYAQFA-UHFFFAOYSA-N 0 0 180.203 1.994 10 0 ADAERN Cc1nc2c(=S)nc(N)[nH]c2s1 238493224 573713340 /nfs/dbraw/zinc/71/33/40/573713340.db2.gz LIEYJYZDBBCRDV-UHFFFAOYSA-N 0 0 198.276 1.266 10 0 ADAERN OC[C@H]1CCC[C@@H](F)C1 108280505 573713342 /nfs/dbraw/zinc/71/33/42/573713342.db2.gz XGPBMLUFFUNKMS-NKWVEPMBSA-N 0 0 132.178 1.507 10 0 ADAERN C[C@H]1CCCn2cc(CCO)nc21 258096384 573713357 /nfs/dbraw/zinc/71/33/57/573713357.db2.gz BRYGHYSDPVSDTP-QMMMGPOBSA-N 0 0 180.251 1.315 10 0 ADAERN CCOC[C@H](O)Cc1ccco1 130799516 573713362 /nfs/dbraw/zinc/71/33/62/573713362.db2.gz YBBOTPCRDVLCNJ-MRVPVSSYSA-N 0 0 170.208 1.220 10 0 ADAERN Cc1[nH]cnc1-c1cccc(CO)c1 257854976 573713365 /nfs/dbraw/zinc/71/33/65/573713365.db2.gz PRVXCBKINBCVKW-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN Cc1[nH]c(-c2ccccn2)nc1N 83963692 573713369 /nfs/dbraw/zinc/71/33/69/573713369.db2.gz ZCJMBXDJMJPUEL-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1nc(C[C@@H]2COC[C@H]2O)cs1 687984855 573713372 /nfs/dbraw/zinc/71/33/72/573713372.db2.gz ZSSPTVXCEUABAR-VXNVDRBHSA-N 0 0 199.275 1.001 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)C(F)(F)F 75855057 573713388 /nfs/dbraw/zinc/71/33/88/573713388.db2.gz PDSGVUDHORRBIV-UHFFFAOYSA-N 0 0 192.140 1.772 10 0 ADAERN CC(C)(C)C[C@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258094850 573713393 /nfs/dbraw/zinc/71/33/93/573713393.db2.gz GRAIBTXFNSRDBT-LDYMZIIASA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cncc([C@@H]2CCCC[NH2+]2)n1 238493194 573713413 /nfs/dbraw/zinc/71/34/13/573713413.db2.gz PBHKCNRBFRYJHN-VIFPVBQESA-N 0 0 177.251 1.600 10 0 ADAERN CC(C)OC(=O)NCc1ccncc1 126932165 573713419 /nfs/dbraw/zinc/71/34/19/573713419.db2.gz PUMHHJCFBUXUCJ-UHFFFAOYSA-N 0 0 194.234 1.716 10 0 ADAERN Cc1cccc([C@H]2C[C@H](C(=O)[O-])[NH2+]2)c1 257854158 573713423 /nfs/dbraw/zinc/71/34/23/573713423.db2.gz PPAOBBRHEHYSEP-NXEZZACHSA-N 0 0 191.230 1.483 10 0 ADAERN C[C@@H]1CO[C@H](c2ccc(O)cc2)[NH2+]1 258512071 573713435 /nfs/dbraw/zinc/71/34/35/573713435.db2.gz MRYCPPGACQVQDD-GMSGAONNSA-N 0 0 179.219 1.399 10 0 ADAERN NOCCC[C@@H]1CCCCO1 257854521 573713446 /nfs/dbraw/zinc/71/34/46/573713446.db2.gz AGCZORCKJBIBPZ-QMMMGPOBSA-N 0 0 159.229 1.226 10 0 ADAERN Nc1nc(-c2ccccn2)c[nH]1 83962844 573713470 /nfs/dbraw/zinc/71/34/70/573713470.db2.gz SUJLMJQHZIZZQA-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN CN1C[C@H](c2ccccc2)OC(=O)N1 257854989 573713474 /nfs/dbraw/zinc/71/34/74/573713474.db2.gz PSHOZOXAHRLPAH-SECBINFHSA-N 0 0 192.218 1.314 10 0 ADAERN Cc1ccc([C@](C)([NH3+])CO)c(N)c1C 238493301 573713479 /nfs/dbraw/zinc/71/34/79/573713479.db2.gz MPANLIZBRVFMTB-LLVKDONJSA-N 0 0 194.278 1.052 10 0 ADAERN O=C(/C=C\C1CC1)NCC1CCC1 393554286 573713491 /nfs/dbraw/zinc/71/34/91/573713491.db2.gz JOYAHTQXSVGZSK-SREVYHEPSA-N 0 0 179.263 1.869 10 0 ADAERN CC(C)(C)C[C@@H]1COC(N)=N1 83964569 573713496 /nfs/dbraw/zinc/71/34/96/573713496.db2.gz XVADQHKAHAHPGT-ZCFIWIBFSA-N 0 0 156.229 1.136 10 0 ADAERN C[C@H]1SCCC[C@]12COC(=O)N2 86969492 573713499 /nfs/dbraw/zinc/71/34/99/573713499.db2.gz DJGBPMFAZCXWQG-SVRRBLITSA-N 0 0 187.264 1.381 10 0 ADAERN C[C@@H]1CC(=O)C[C@H](C(C)(C)O)C1 238492209 573713509 /nfs/dbraw/zinc/71/35/09/573713509.db2.gz CWNMNBKESCXVGC-JGVFFNPUSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@]1(C2CCCC2)COC(N)=N1 83964305 573713513 /nfs/dbraw/zinc/71/35/13/573713513.db2.gz NJNHIWNQJBZMPE-SECBINFHSA-N 0 0 168.240 1.280 10 0 ADAERN COC(=O)[C@@H](N)CCCC(C)(C)C 259172629 573713552 /nfs/dbraw/zinc/71/35/52/573713552.db2.gz WOAOEJCNMFJDJQ-QMMMGPOBSA-N 0 0 187.283 1.703 10 0 ADAERN O=C1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O 236547875 573713563 /nfs/dbraw/zinc/71/35/63/573713563.db2.gz YMMOJOUKFXRPSZ-BBBLOLIVSA-N 0 0 198.262 1.143 10 0 ADAERN CONCc1ccc(C)c(OC)c1 258095943 573713567 /nfs/dbraw/zinc/71/35/67/573713567.db2.gz XGBPCHFHQDLRFT-UHFFFAOYSA-N 0 0 181.235 1.655 10 0 ADAERN CC(C)(C)C[C@@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258094840 573713575 /nfs/dbraw/zinc/71/35/75/573713575.db2.gz GRAIBTXFNSRDBT-GZMMTYOYSA-N 0 0 199.294 1.875 10 0 ADAERN O=C([O-])[C@@H]1[NH2+]CC[C@@H]1C1CCCC1 83964868 573713604 /nfs/dbraw/zinc/71/36/04/573713604.db2.gz VJJPSSVEKZAFEQ-RKDXNWHRSA-N 0 0 183.251 1.239 10 0 ADAERN OCC[C@H]1CC[C@H](F)C1 108280534 573713613 /nfs/dbraw/zinc/71/36/13/573713613.db2.gz PWRSPPYRZMJKKI-RQJHMYQMSA-N 0 0 132.178 1.507 10 0 ADAERN Cc1ccc(F)c2[nH]c(=O)[nH]c12 238493499 573713647 /nfs/dbraw/zinc/71/36/47/573713647.db2.gz CQVQSBLVRRHLFF-UHFFFAOYSA-N 0 0 166.155 1.304 10 0 ADAERN COC[C@@H](OC)c1ccccc1C=O 258095967 573713650 /nfs/dbraw/zinc/71/36/50/573713650.db2.gz XGQDQGZIOACJPM-LLVKDONJSA-N 0 0 194.230 1.833 10 0 ADAERN Oc1c[nH]c(CC(F)(F)F)n1 236556004 573713652 /nfs/dbraw/zinc/71/36/52/573713652.db2.gz XPEZYZFPSJYDHB-UHFFFAOYSA-N 0 0 166.102 1.220 10 0 ADAERN CCCc1nc2c(o1)CC[C@@H](O)C2 257854327 573713667 /nfs/dbraw/zinc/71/36/67/573713667.db2.gz BQQHFTSNRCVPHJ-SSDOTTSWSA-N 0 0 181.235 1.477 10 0 ADAERN C[C@@H]1CC(=O)[C@H](C(C)(C)O)C1 238492181 573713668 /nfs/dbraw/zinc/71/36/68/573713668.db2.gz OSKISKJOIFBXCR-NKWVEPMBSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@H](CO)c1cccc2oc(=O)[nH]c12 258095986 573713681 /nfs/dbraw/zinc/71/36/81/573713681.db2.gz OGVVKDDIXIBJSG-LURJTMIESA-N 0 0 193.202 1.629 10 0 ADAERN c1coc(-c2nc3ccccn3n2)c1 258101774 573713698 /nfs/dbraw/zinc/71/36/98/573713698.db2.gz YBXVUPZOAUTZNR-UHFFFAOYSA-N 0 0 185.186 1.989 10 0 ADAERN Cc1[nH]cc2c(Cl)nncc12 238492770 573713716 /nfs/dbraw/zinc/71/37/16/573713716.db2.gz VWHIBPQPCHVMKE-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN CC(C)(C)[C@H]1C[C@H](CO)CCO1 642818345 573713718 /nfs/dbraw/zinc/71/37/18/573713718.db2.gz UPTPFAFDEHKZBK-RKDXNWHRSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@]1(c2ccccc2F)COC(=N)N1 83964385 573713727 /nfs/dbraw/zinc/71/37/27/573713727.db2.gz LDAKMDHNDJLWCB-SNVBAGLBSA-N 0 0 194.209 1.386 10 0 ADAERN Cc1cccc([C@H]2C[C@@H](C(=O)[O-])[NH2+]2)c1 257854167 573713728 /nfs/dbraw/zinc/71/37/28/573713728.db2.gz PPAOBBRHEHYSEP-ZJUUUORDSA-N 0 0 191.230 1.483 10 0 ADAERN CCOC[C@@H](O)Cc1ccco1 130799718 573713747 /nfs/dbraw/zinc/71/37/47/573713747.db2.gz YBBOTPCRDVLCNJ-QMMMGPOBSA-N 0 0 170.208 1.220 10 0 ADAERN CC(C)[NH2+][C@H]1CCC[C@@H]1C(=O)[O-] 83963495 573713750 /nfs/dbraw/zinc/71/37/50/573713750.db2.gz IZVDSQCOJBEWMY-YUMQZZPRSA-N 0 0 171.240 1.238 10 0 ADAERN CCc1cc(O)cc(CNO)c1 258095849 573713761 /nfs/dbraw/zinc/71/37/61/573713761.db2.gz XFCNFQFJGVLDMS-UHFFFAOYSA-N 0 0 167.208 1.433 10 0 ADAERN Cc1ccc(F)c2c1CNC2=O 238492785 573713795 /nfs/dbraw/zinc/71/37/95/573713795.db2.gz RXCHPQKGJVJPDK-UHFFFAOYSA-N 0 0 165.167 1.378 10 0 ADAERN CC(=O)N1C=CC(C)(C(C)=O)C=C1 197508748 573713797 /nfs/dbraw/zinc/71/37/97/573713797.db2.gz ZIGDADHAKRMAOO-UHFFFAOYSA-N 0 0 179.219 1.471 10 0 ADAERN O=C1CCNN1CCC1CCCCC1 257854287 573713815 /nfs/dbraw/zinc/71/38/15/573713815.db2.gz PRQSOJLUHAWZCR-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN CN1C[C@@H](c2ccccc2)OC(=O)N1 257854990 573713823 /nfs/dbraw/zinc/71/38/23/573713823.db2.gz PSHOZOXAHRLPAH-VIFPVBQESA-N 0 0 192.218 1.314 10 0 ADAERN COC[C@@]1(O)CCCS[C@H]1C 86968399 573713827 /nfs/dbraw/zinc/71/38/27/573713827.db2.gz PKMNHTAFYDHQRB-YUMQZZPRSA-N 0 0 176.281 1.279 10 0 ADAERN C[C@@]1(CNC(N)=O)CC2CCC1CC2 238492881 573713833 /nfs/dbraw/zinc/71/38/33/573713833.db2.gz QVWMLOAWEHXVAC-AMUVOQDHSA-N 0 0 196.294 1.871 10 0 ADAERN C[C@H](CO)c1cccc2oc(=O)[nH]c12 258095992 573713840 /nfs/dbraw/zinc/71/38/40/573713840.db2.gz OGVVKDDIXIBJSG-ZCFIWIBFSA-N 0 0 193.202 1.629 10 0 ADAERN O[C@H]1CCOC[C@H]1CC(F)(F)F 236560860 573713843 /nfs/dbraw/zinc/71/38/43/573713843.db2.gz CVTPSBMDKJUOEE-RITPCOANSA-N 0 0 184.157 1.336 10 0 ADAERN C[C@@H]1CCCC[C@]12COC(N)=N2 83964618 573713845 /nfs/dbraw/zinc/71/38/45/573713845.db2.gz GGCKXSAZSZBMDY-APPZFPTMSA-N 0 0 168.240 1.280 10 0 ADAERN Cc1c[nH]c(=O)c2ccc(N)cc12 258095951 573713847 /nfs/dbraw/zinc/71/38/47/573713847.db2.gz IWEWDSJFCGUOHI-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN Cc1cc(N)c(O)c2ncccc12 197518257 573713851 /nfs/dbraw/zinc/71/38/51/573713851.db2.gz LJBDBJTYRRFDMJ-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN Cc1cc(CCO)cc(F)c1F 258101962 573713854 /nfs/dbraw/zinc/71/38/54/573713854.db2.gz XUYFOGWRVANNJO-UHFFFAOYSA-N 0 0 172.174 1.808 10 0 ADAERN NN[C@@H]1CCCc2occc21 122246024 573713855 /nfs/dbraw/zinc/71/38/55/573713855.db2.gz SQWCTYCAOQUDNT-SSDOTTSWSA-N 0 0 152.197 1.120 10 0 ADAERN CNC(=S)c1ccc2c(c1)CCN2 75856531 573713857 /nfs/dbraw/zinc/71/38/57/573713857.db2.gz FXSKTYCFWUSOAP-UHFFFAOYSA-N 0 0 192.287 1.550 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)COC(N)=N2 83964745 573713867 /nfs/dbraw/zinc/71/38/67/573713867.db2.gz QURUWJJQPKGTPC-WEDXCCLWSA-N 0 0 182.267 1.526 10 0 ADAERN CC[C@@H]1CCC[C@]2(COC(N)=N2)C1 83964757 573713878 /nfs/dbraw/zinc/71/38/78/573713878.db2.gz WCTKLMDHKBLVND-PSASIEDQSA-N 0 0 182.267 1.670 10 0 ADAERN Cc1ccc2c(c1C(=O)[O-])[C@H]([NH3+])CC2 238492762 573713880 /nfs/dbraw/zinc/71/38/80/573713880.db2.gz PEIOLIWVUXWBML-MRVPVSSYSA-N 0 0 191.230 1.639 10 0 ADAERN C/C=C/[C@@H](O)C1=CCCCO1 238033072 573713887 /nfs/dbraw/zinc/71/38/87/573713887.db2.gz XWIUNVHASRHEQF-IBDUZEINSA-N 0 0 154.209 1.618 10 0 ADAERN CC(C)Cc1ncc(C=O)c(N)n1 258889705 573713893 /nfs/dbraw/zinc/71/38/93/573713893.db2.gz YHSNYSYMLJRZMM-UHFFFAOYSA-N 0 0 179.223 1.070 10 0 ADAERN CCOC[C@]1(O)CCCS[C@H]1C 86968383 573713900 /nfs/dbraw/zinc/71/39/00/573713900.db2.gz BIHQFGILGAKNFA-DTWKUNHWSA-N 0 0 190.308 1.670 10 0 ADAERN COC[C@H](C)[C@H](C)NC(=O)C1CC1 393555152 573713916 /nfs/dbraw/zinc/71/39/16/573713916.db2.gz LCZNFWJGZKZEMQ-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN Cc1n[nH]cc1C(=O)C(C)C 75854513 573713924 /nfs/dbraw/zinc/71/39/24/573713924.db2.gz JXSXVQVHKFCXDH-UHFFFAOYSA-N 0 0 152.197 1.557 10 0 ADAERN C[C@@H]1NCc2nc3ccccc3n21 83963623 573713258 /nfs/dbraw/zinc/71/32/58/573713258.db2.gz WSUXQMQCMJJMAD-SSDOTTSWSA-N 0 0 173.219 1.658 10 0 ADAERN Cc1ccc([C@H]2COC(=O)N2)cc1F 83965160 573719463 /nfs/dbraw/zinc/71/94/63/573719463.db2.gz OEDQQQRZOGJPOQ-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN C[C@@]1(CO)C[C@H]2C=C[C@@H]1C(=O)C2 238494300 573719477 /nfs/dbraw/zinc/71/94/77/573719477.db2.gz VZAFBHKBKBPKSO-XKSSXDPKSA-N 0 0 166.220 1.150 10 0 ADAERN C[C@@H]1CCC[C@]2(COC(=O)N2)C1 83965465 573719485 /nfs/dbraw/zinc/71/94/85/573719485.db2.gz REQNXQIFWYQQAU-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN CNOC/C=C/c1ccc(F)cc1 258512490 573719488 /nfs/dbraw/zinc/71/94/88/573719488.db2.gz FKYQTCUKYKFXFB-NSCUHMNNSA-N 0 0 181.210 1.990 10 0 ADAERN c1nc([C@@H]2CCCO2)c2nc[nH]c2n1 238027336 573719499 /nfs/dbraw/zinc/71/94/99/573719499.db2.gz LPHPZAZAHGGFNG-LURJTMIESA-N 0 0 190.206 1.204 10 0 ADAERN [NH2+]=C1NC[C@@H](c2cc(F)ccc2F)O1 83966347 573719509 /nfs/dbraw/zinc/71/95/09/573719509.db2.gz PDBHDKJFOPEZRJ-QMMMGPOBSA-N 0 0 198.172 1.351 10 0 ADAERN c1cc([C@H]2CCCOC2)ccn1 238027366 573719547 /nfs/dbraw/zinc/71/95/47/573719547.db2.gz ZCMBMCBRXISQQI-JTQLQIEISA-N 0 0 163.220 1.976 10 0 ADAERN O[C@H]1CCC[C@H]1n1cccc1 108282129 573719550 /nfs/dbraw/zinc/71/95/50/573719550.db2.gz FVDGYDIZGXBJSW-BDAKNGLRSA-N 0 0 151.209 1.574 10 0 ADAERN CCc1ccc([C@@H]2CNC(=[NH2+])O2)cc1 83966589 573718802 /nfs/dbraw/zinc/71/88/02/573718802.db2.gz LUCLCNQWYMEKHP-JTQLQIEISA-N 0 0 190.246 1.635 10 0 ADAERN CC[N@H+]([C@@H](C)C(C)=O)[C@@H]1CCOC1 393555562 573718810 /nfs/dbraw/zinc/71/88/10/573718810.db2.gz MMAJHOGHXMCQJF-WCBMZHEXSA-N 0 0 185.267 1.075 10 0 ADAERN C[C@H]1C[C@H](C)CC2(COC(=O)N2)C1 83965707 573719553 /nfs/dbraw/zinc/71/95/53/573719553.db2.gz MRMRUHLIBFWYNP-YUMQZZPRSA-N 0 0 183.251 1.921 10 0 ADAERN Cc1cc(F)c(F)c(CCON)c1 258098451 573718821 /nfs/dbraw/zinc/71/88/21/573718821.db2.gz OOJSEZRNBSMCGQ-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN Cc1cc(C)c2c(c1)N[C@@H](O)N2 238493577 573718829 /nfs/dbraw/zinc/71/88/29/573718829.db2.gz YDHNHLYMDDBIAB-SECBINFHSA-N 0 0 164.208 1.417 10 0 ADAERN C[C@]1(C2CCCC2)COC(=O)N1 83965700 573719560 /nfs/dbraw/zinc/71/95/60/573719560.db2.gz HGRRIMCCHODBGR-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN CC(C)[NH2+][C@H]1CCCC[C@@H]1C(=O)[O-] 83965480 573718866 /nfs/dbraw/zinc/71/88/66/573718866.db2.gz KXJMYEQCBNQKJG-IUCAKERBSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@]1(N)CSc2ccccc2C1=O 238493824 573718867 /nfs/dbraw/zinc/71/88/67/573718867.db2.gz LVUDYPXYNIBBCI-SNVBAGLBSA-N 0 0 193.271 1.692 10 0 ADAERN OCC[C@H]1CCC[C@H](F)C1 108281792 573718868 /nfs/dbraw/zinc/71/88/68/573718868.db2.gz SRRYPRMSZZZJQI-SFYZADRCSA-N 0 0 146.205 1.897 10 0 ADAERN O[C@@H]1CCC[C@H]1n1cccc1 108282134 573718886 /nfs/dbraw/zinc/71/88/86/573718886.db2.gz FVDGYDIZGXBJSW-RKDXNWHRSA-N 0 0 151.209 1.574 10 0 ADAERN CC[C@@H]1CC[C@@]2(COC(N)=N2)C1 83965142 573718887 /nfs/dbraw/zinc/71/88/87/573718887.db2.gz JOIISVVBDQEUFA-APPZFPTMSA-N 0 0 168.240 1.280 10 0 ADAERN CC[C@@H](C)[C@H](C)NC=O 79042654 573718888 /nfs/dbraw/zinc/71/88/88/573718888.db2.gz YIIKBOIXQIPYNS-RQJHMYQMSA-N 0 0 129.203 1.167 10 0 ADAERN C/C(=C\Cl)[C@@H]1CCC(=O)O1 238027578 573718903 /nfs/dbraw/zinc/71/89/03/573718903.db2.gz JLMPNVUYNIUWBN-OVCGOVNKSA-N 0 0 160.600 1.835 10 0 ADAERN OCCc1cccc(CCF)c1 258097871 573718922 /nfs/dbraw/zinc/71/89/22/573718922.db2.gz XOMZNOLGLRQZIL-UHFFFAOYSA-N 0 0 168.211 1.733 10 0 ADAERN C[C@H]1CCCC[C@]12C[NH+]=C(N)O2 83966269 573718924 /nfs/dbraw/zinc/71/89/24/573718924.db2.gz ZRZOKTJMDYHOGD-CBAPKCEASA-N 0 0 168.240 1.280 10 0 ADAERN Cc1nc(C(F)F)c(F)cc1CO 238493934 573718931 /nfs/dbraw/zinc/71/89/31/573718931.db2.gz IEUPOIZBKOPLCH-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN Cc1cc([C@H]2COC(=O)N2)ccc1F 83965148 573718933 /nfs/dbraw/zinc/71/89/33/573718933.db2.gz BUZSKHGDTKUYNI-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN O[C@H]1CCC[C@@H]1n1cccc1 108282132 573718937 /nfs/dbraw/zinc/71/89/37/573718937.db2.gz FVDGYDIZGXBJSW-IUCAKERBSA-N 0 0 151.209 1.574 10 0 ADAERN CC(C)c1ccn(CCO)c1 197530105 573718939 /nfs/dbraw/zinc/71/89/39/573718939.db2.gz LHBMQFKKQDZTLI-UHFFFAOYSA-N 0 0 153.225 1.604 10 0 ADAERN Cc1ccc2c(c1)[C@H](CO)[NH2+]C2 238494186 573718950 /nfs/dbraw/zinc/71/89/50/573718950.db2.gz NDZVXZSTYVXITI-JTQLQIEISA-N 0 0 163.220 1.132 10 0 ADAERN O[C@H](c1ccncc1)c1nccs1 75871005 573718989 /nfs/dbraw/zinc/71/89/89/573718989.db2.gz FWPLZANHSZAOAV-MRVPVSSYSA-N 0 0 192.243 1.620 10 0 ADAERN C[C@]1(c2ccc(O)cc2)COC(=O)N1 83965908 573718994 /nfs/dbraw/zinc/71/89/94/573718994.db2.gz VNHFDNLCNTUYTP-SNVBAGLBSA-N 0 0 193.202 1.347 10 0 ADAERN Cc1n[nH]cc1[C@@H](O)c1ccccc1 75870355 573719004 /nfs/dbraw/zinc/71/90/04/573719004.db2.gz DMCLZEDZPPQQNE-NSHDSACASA-N 0 0 188.230 1.800 10 0 ADAERN C[C@H]1C[C@]2(CC[C@H]1C)COC(=O)N2 83965673 573719022 /nfs/dbraw/zinc/71/90/22/573719022.db2.gz GCDPTOGORMNBHX-KHQFGBGNSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CCCC[C@@]12C[NH+]=C(N)O2 83966261 573719024 /nfs/dbraw/zinc/71/90/24/573719024.db2.gz ZRZOKTJMDYHOGD-VXNVDRBHSA-N 0 0 168.240 1.280 10 0 ADAERN C[C@@]1(Cc2ccccc2)COC(=O)N1 83965958 573719028 /nfs/dbraw/zinc/71/90/28/573719028.db2.gz QFWCXWYTBFKEQI-LLVKDONJSA-N 0 0 191.230 1.728 10 0 ADAERN O=c1[nH]c2ccc(C3(O)CC3)cc2[nH]1 258098478 573719033 /nfs/dbraw/zinc/71/90/33/573719033.db2.gz OOWGEABITYFING-UHFFFAOYSA-N 0 0 190.202 1.250 10 0 ADAERN Cc1cncc2cc3n(c12)C(=O)CC3 238494345 573719035 /nfs/dbraw/zinc/71/90/35/573719035.db2.gz JQBIGIKJFCGIEG-UHFFFAOYSA-N 0 0 186.214 1.931 10 0 ADAERN C[C@@H]1CCCC[C@]12C[NH+]=C(N)O2 83966266 573719044 /nfs/dbraw/zinc/71/90/44/573719044.db2.gz ZRZOKTJMDYHOGD-APPZFPTMSA-N 0 0 168.240 1.280 10 0 ADAERN CC[C@]1(C2CC2)COC(=O)N1 83966241 573719071 /nfs/dbraw/zinc/71/90/71/573719071.db2.gz SFWCIINZBUKVIP-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN O=C1N[C@@]2(CCc3ccccc32)CO1 83965492 573719078 /nfs/dbraw/zinc/71/90/78/573719078.db2.gz SSGHHVKUZPBVON-NSHDSACASA-N 0 0 189.214 1.568 10 0 ADAERN Cc1cc2c(=O)[nH]c(=S)[n-]c2o1 238494546 573719079 /nfs/dbraw/zinc/71/90/79/573719079.db2.gz WWLULVHEDMQSMP-UHFFFAOYSA-N 0 0 182.204 1.113 10 0 ADAERN C[C@](O)(CO)CCc1ccccc1F 257857146 573719093 /nfs/dbraw/zinc/71/90/93/573719093.db2.gz NWEFMPJPMFUBCL-LLVKDONJSA-N 0 0 198.237 1.502 10 0 ADAERN O[C@H](C1=CCCO1)C1(O)CCCCC1 236565806 573719104 /nfs/dbraw/zinc/71/91/04/573719104.db2.gz OBFKIKMFCRTMCS-SNVBAGLBSA-N 0 0 198.262 1.347 10 0 ADAERN O=C1N[C@@H](c2ccc(F)cc2F)CO1 83965237 573719105 /nfs/dbraw/zinc/71/91/05/573719105.db2.gz TTZUKUAVJGTSST-MRVPVSSYSA-N 0 0 199.156 1.746 10 0 ADAERN CC1=Nc2sc(C)cc2C(=O)NN1 238494014 573719106 /nfs/dbraw/zinc/71/91/06/573719106.db2.gz IXHOJWPBWVDALO-UHFFFAOYSA-N 0 0 195.247 1.354 10 0 ADAERN CC[C@@H](C)[C@]1(C)C[NH+]=C(N)O1 83966335 573719114 /nfs/dbraw/zinc/71/91/14/573719114.db2.gz OFGSGKMZYONYRE-SVRRBLITSA-N 0 0 156.229 1.136 10 0 ADAERN COC(=O)[C@H](F)CC1CCOCC1 257856934 573719124 /nfs/dbraw/zinc/71/91/24/573719124.db2.gz QEVKOZIPGBXTBG-MRVPVSSYSA-N 0 0 190.214 1.314 10 0 ADAERN CC[C@@H](C)[C@@H](O)[C@H](C)COC(C)=O 393555468 573719139 /nfs/dbraw/zinc/71/91/39/573719139.db2.gz QEZCXWOPNCHYOK-NQMVMOMDSA-N 0 0 188.267 1.593 10 0 ADAERN NC1=[NH+]C[C@@H](C2CCCCC2)O1 83966466 573719148 /nfs/dbraw/zinc/71/91/48/573719148.db2.gz WJMGQTZEFBXLAH-QMMMGPOBSA-N 0 0 168.240 1.280 10 0 ADAERN Cc1cc(=O)c2c(O)ccc(O)c2[nH]1 238493653 573719151 /nfs/dbraw/zinc/71/91/51/573719151.db2.gz ZLKOHCQVCSSSQN-UHFFFAOYSA-N 0 0 191.186 1.660 10 0 ADAERN Cc1ccc([C@@H](F)CO)o1 108281536 573719162 /nfs/dbraw/zinc/71/91/62/573719162.db2.gz CKHCTFXNQLXQIN-LURJTMIESA-N 0 0 144.145 1.591 10 0 ADAERN C[S@@](=O)C(C)(C)C(=O)C1CC1 238494750 573719164 /nfs/dbraw/zinc/71/91/64/573719164.db2.gz LVZGNNQVOBSLAF-LLVKDONJSA-N 0 0 174.265 1.123 10 0 ADAERN Oc1cccc(-c2nc(O)c[nH]2)c1 236573495 573719167 /nfs/dbraw/zinc/71/91/67/573719167.db2.gz VFAVUTARJPRFSC-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN C[C@@H](O)CCn1cccc1 108280906 573719169 /nfs/dbraw/zinc/71/91/69/573719169.db2.gz XENRKOIBUGCGCE-MRVPVSSYSA-N 0 0 139.198 1.259 10 0 ADAERN C[C@@]1(CO)O[C@H]1C1CCCCC1 238494930 573719172 /nfs/dbraw/zinc/71/91/72/573719172.db2.gz PSIATZHTRVZSLW-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CC(C)[NH2+][C@@H]1CCCC[C@H]1C(=O)[O-] 83965483 573719177 /nfs/dbraw/zinc/71/91/77/573719177.db2.gz KXJMYEQCBNQKJG-RKDXNWHRSA-N 0 0 185.267 1.628 10 0 ADAERN O=C1N[C@H](c2ccccc2F)CO1 83966078 573719184 /nfs/dbraw/zinc/71/91/84/573719184.db2.gz LEKLAURLEDFPAH-QMMMGPOBSA-N 0 0 181.166 1.607 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)OC2 238494462 573719190 /nfs/dbraw/zinc/71/91/90/573719190.db2.gz DEFZUAMHMMUJFK-SECBINFHSA-N 0 0 150.177 1.516 10 0 ADAERN C[C@@H]1CC(=O)N(c2ccc(F)cc2)N1 257856842 573719195 /nfs/dbraw/zinc/71/91/95/573719195.db2.gz QBYKTGUOFSWONW-SSDOTTSWSA-N 0 0 194.209 1.456 10 0 ADAERN CCC(CC)[C@H]1COC(N)=N1 83965090 573719218 /nfs/dbraw/zinc/71/92/18/573719218.db2.gz NLUNIXSIECNONW-SSDOTTSWSA-N 0 0 156.229 1.136 10 0 ADAERN Cc1ccc2c(c1)[C@H]([C@@H](C)O)CO2 258097697 573719221 /nfs/dbraw/zinc/71/92/21/573719221.db2.gz NTCDSWXADYESOQ-SCZZXKLOSA-N 0 0 178.231 1.852 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1cccs1 236564386 573719230 /nfs/dbraw/zinc/71/92/30/573719230.db2.gz HJZZFFVISPSZEO-SCZZXKLOSA-N 0 0 198.287 1.688 10 0 ADAERN O=Cc1ccc(-c2nc[nH]n2)s1 75878576 573719238 /nfs/dbraw/zinc/71/92/38/573719238.db2.gz AQIVSQRKHIVLBM-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN C[C@]1(c2ccccc2F)COC(=O)N1 83965502 573719239 /nfs/dbraw/zinc/71/92/39/573719239.db2.gz SOAXRXIKLBPXAT-SNVBAGLBSA-N 0 0 195.193 1.781 10 0 ADAERN CC(=O)O[C@@H]1C(=O)[C@H](C)C[C@@H]1C 238494220 573719243 /nfs/dbraw/zinc/71/92/43/573719243.db2.gz ODHUIXSCORLGBB-JHEQGTHGSA-N 0 0 170.208 1.163 10 0 ADAERN CC1CC(O)(c2cnsc2)C1 405010416 573719248 /nfs/dbraw/zinc/71/92/48/573719248.db2.gz OHOYAEVLHTVTRL-UHFFFAOYSA-N 0 0 169.249 1.761 10 0 ADAERN C[C@H]1C[C@@H](NC=O)CC(C)(C)C1 223318929 573719266 /nfs/dbraw/zinc/71/92/66/573719266.db2.gz YLOJMUOCTGQKOW-DTWKUNHWSA-N 0 0 169.268 1.947 10 0 ADAERN OCC[C@@H]1CCC[C@H](F)C1 108281795 573719274 /nfs/dbraw/zinc/71/92/74/573719274.db2.gz SRRYPRMSZZZJQI-YUMQZZPRSA-N 0 0 146.205 1.897 10 0 ADAERN C[C@]1(c2cccc(F)c2)COC(=O)N1 83966162 573719293 /nfs/dbraw/zinc/71/92/93/573719293.db2.gz GNVWSLUBJNLVKU-SNVBAGLBSA-N 0 0 195.193 1.781 10 0 ADAERN C[C@@]1(O)COc2cc(C=O)ccc21 197535357 573719294 /nfs/dbraw/zinc/71/92/94/573719294.db2.gz OYRQEESJYGXNLW-SNVBAGLBSA-N 0 0 178.187 1.099 10 0 ADAERN OC[C@H](F)c1ccccn1 108281082 573719296 /nfs/dbraw/zinc/71/92/96/573719296.db2.gz OXUDMQQJGLJEMO-LURJTMIESA-N 0 0 141.145 1.085 10 0 ADAERN OC(c1ccncc1)c1ccncc1 75870999 573719304 /nfs/dbraw/zinc/71/93/04/573719304.db2.gz JVMMJTZNPXCCQT-UHFFFAOYSA-N 0 0 186.214 1.558 10 0 ADAERN OC[C@@H](F)c1ccccn1 108281079 573719309 /nfs/dbraw/zinc/71/93/09/573719309.db2.gz OXUDMQQJGLJEMO-ZCFIWIBFSA-N 0 0 141.145 1.085 10 0 ADAERN Cc1cn(C)c(COC(C)C)n1 257855363 573719336 /nfs/dbraw/zinc/71/93/36/573719336.db2.gz DAQCQZYHFYUOFI-UHFFFAOYSA-N 0 0 168.240 1.654 10 0 ADAERN C[C@H](CO)c1c(F)ccc2c1CCO2 258098589 573719340 /nfs/dbraw/zinc/71/93/40/573719340.db2.gz OQGMDCRNZUACSL-SSDOTTSWSA-N 0 0 196.221 1.856 10 0 ADAERN O=C1NC2(CCCCCC2)CO1 83965619 573719348 /nfs/dbraw/zinc/71/93/48/573719348.db2.gz HIQAIRCCSXOMTN-UHFFFAOYSA-N 0 0 169.224 1.819 10 0 ADAERN OC[C@@H](F)c1cccs1 108281762 573719351 /nfs/dbraw/zinc/71/93/51/573719351.db2.gz KTWMOPHJBFXCMI-RXMQYKEDSA-N 0 0 146.186 1.751 10 0 ADAERN OC[C@@]1(O)CCc2cc(Cl)ccc21 257857164 573719376 /nfs/dbraw/zinc/71/93/76/573719376.db2.gz NXHVAFUCXCOIMG-JTQLQIEISA-N 0 0 198.649 1.466 10 0 ADAERN C[C@]1(Cc2ccccc2)COC(=O)N1 83965956 573719392 /nfs/dbraw/zinc/71/93/92/573719392.db2.gz QFWCXWYTBFKEQI-NSHDSACASA-N 0 0 191.230 1.728 10 0 ADAERN C[C@@]1(c2ccccc2)CNC(=O)OC1 257856832 573719393 /nfs/dbraw/zinc/71/93/93/573719393.db2.gz QBPOZORVUJZBMF-LLVKDONJSA-N 0 0 191.230 1.684 10 0 ADAERN COc1ccccc1[C@H]1COC(=O)N1 83965522 573719399 /nfs/dbraw/zinc/71/93/99/573719399.db2.gz JIJPLSZIBYXTAX-MRVPVSSYSA-N 0 0 193.202 1.476 10 0 ADAERN CCc1cc(N)cc(=O)n1C(C)(C)C 257855904 573719401 /nfs/dbraw/zinc/71/94/01/573719401.db2.gz PXOSOYZGHYVZOV-UHFFFAOYSA-N 0 0 194.278 1.748 10 0 ADAERN OC[C@H]1CCSCCC1(F)F 259561838 573719404 /nfs/dbraw/zinc/71/94/04/573719404.db2.gz CKVILEQFMDVZCN-ZCFIWIBFSA-N 0 0 182.235 1.757 10 0 ADAERN Oc1c[nH]c(-c2ccc(Cl)cn2)n1 236575807 573719405 /nfs/dbraw/zinc/71/94/05/573719405.db2.gz WEUKIONNWIHTDO-UHFFFAOYSA-N 0 0 195.609 1.831 10 0 ADAERN CC(C)CC[C@@]1(C)COC(=O)N1 83965463 573719407 /nfs/dbraw/zinc/71/94/07/573719407.db2.gz HEBOAUBEQCVKIL-VIFPVBQESA-N 0 0 171.240 1.921 10 0 ADAERN Cc1oc2c(F)cccc2c(=O)c1N 238494381 573719411 /nfs/dbraw/zinc/71/94/11/573719411.db2.gz UMBISTXJZHNNQN-UHFFFAOYSA-N 0 0 193.177 1.823 10 0 ADAERN CC(=[NH2+])N1CCC(C)(C(=O)[O-])CC1 238030275 573719412 /nfs/dbraw/zinc/71/94/12/573719412.db2.gz NVWMXQUQCJLXGA-UHFFFAOYSA-N 0 0 184.239 1.170 10 0 ADAERN OCCC1CCC(F)CC1 108281784 573719417 /nfs/dbraw/zinc/71/94/17/573719417.db2.gz UIJCVCSZDUCOPG-UHFFFAOYSA-N 0 0 146.205 1.897 10 0 ADAERN CC(C)CC[C@]1(C)COC(=O)N1 83965461 573719421 /nfs/dbraw/zinc/71/94/21/573719421.db2.gz HEBOAUBEQCVKIL-SECBINFHSA-N 0 0 171.240 1.921 10 0 ADAERN OC[C@@H]1CCSCCC1(F)F 259561831 573719424 /nfs/dbraw/zinc/71/94/24/573719424.db2.gz CKVILEQFMDVZCN-LURJTMIESA-N 0 0 182.235 1.757 10 0 ADAERN CC[C@@H]1CCC[C@]2(C[NH+]=C(N)O2)C1 83966562 573719426 /nfs/dbraw/zinc/71/94/26/573719426.db2.gz GTZAFHWUMVINSI-PSASIEDQSA-N 0 0 182.267 1.670 10 0 ADAERN COC[C@@]1(O)CSCCC1(C)C 86973039 573719435 /nfs/dbraw/zinc/71/94/35/573719435.db2.gz WHRDIHUGRGUTKC-SECBINFHSA-N 0 0 190.308 1.527 10 0 ADAERN Cc1cccc(NC2=CC(=O)OC2)c1 238493865 573719438 /nfs/dbraw/zinc/71/94/38/573719438.db2.gz YULIJVNHHCBLCP-UHFFFAOYSA-N 0 0 189.214 1.848 10 0 ADAERN Cc1nn(C)c(C)c1-c1cc(N)n[nH]1 75879927 573719439 /nfs/dbraw/zinc/71/94/39/573719439.db2.gz KVHCTLBOISZUTI-UHFFFAOYSA-N 0 0 191.238 1.009 10 0 ADAERN Cc1ccccc1[C@@]1(C)COC(=O)N1 83966161 573719440 /nfs/dbraw/zinc/71/94/40/573719440.db2.gz CVCZAMGBLVGIKM-LLVKDONJSA-N 0 0 191.230 1.950 10 0 ADAERN CC[C@@H]1NN1C1CCCCC1 197530186 573719461 /nfs/dbraw/zinc/71/94/61/573719461.db2.gz AFXIEFQTJJSXID-BFHBGLAWSA-N 0 0 154.257 1.875 10 0 ADAERN CC(C)[C@@H](O)[C@@H]1CSCCS1 86982533 573721462 /nfs/dbraw/zinc/72/14/62/573721462.db2.gz KBWFNOJDZRXZIZ-JGVFFNPUSA-N 0 0 192.349 1.852 10 0 ADAERN O=C1N[C@H](c2ccc(F)cc2)CO1 83965528 573721467 /nfs/dbraw/zinc/72/14/67/573721467.db2.gz ZDRCZUKZERPBIY-QMMMGPOBSA-N 0 0 181.166 1.607 10 0 ADAERN OC[C@@H]1Cc2cccc(Cl)c21 258512626 573721468 /nfs/dbraw/zinc/72/14/68/573721468.db2.gz LMNMWRANBHNSIL-ZETCQYMHSA-N 0 0 168.623 1.972 10 0 ADAERN CNc1cc(CC(C)C)[nH]n1 108282559 573721476 /nfs/dbraw/zinc/72/14/76/573721476.db2.gz VFWJWZIRDMAFGF-UHFFFAOYSA-N 0 0 153.229 1.650 10 0 ADAERN Nc1cnnc(-c2cccc(O)c2)c1 257856739 573721493 /nfs/dbraw/zinc/72/14/93/573721493.db2.gz AQSROBSWSGSIBC-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN C[C@@H]1CCC[C@@]12COC(=O)N2 83965711 573721496 /nfs/dbraw/zinc/72/14/96/573721496.db2.gz XVCNXISTQRVNDX-HTRCEHHLSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(COC(=O)N2)C1 83965709 573721504 /nfs/dbraw/zinc/72/15/04/573721504.db2.gz MRMRUHLIBFWYNP-HTQZYQBOSA-N 0 0 183.251 1.921 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1nccs1 236564580 573720797 /nfs/dbraw/zinc/72/07/97/573720797.db2.gz DWYVINUMFNLFCE-SFYZADRCSA-N 0 0 199.275 1.083 10 0 ADAERN O=C1N[C@H](c2ccc(O)cc2)CO1 83965534 573720802 /nfs/dbraw/zinc/72/08/02/573720802.db2.gz WWWQPOKWIXIGIY-QMMMGPOBSA-N 0 0 179.175 1.173 10 0 ADAERN CC(C)OCc1cocn1 258103955 573720803 /nfs/dbraw/zinc/72/08/03/573720803.db2.gz IQKPAMNHGGUHMF-UHFFFAOYSA-N 0 0 141.170 1.600 10 0 ADAERN O=C(OCCCO)[C@H]1CC[C@@H](F)C1 393555635 573720804 /nfs/dbraw/zinc/72/08/04/573720804.db2.gz NEKXJIQMRAUULY-JGVFFNPUSA-N 0 0 190.214 1.050 10 0 ADAERN CCC(CC)[C@H]1C[NH+]=C(N)O1 83966444 573720829 /nfs/dbraw/zinc/72/08/29/573720829.db2.gz LCPKIUUNMRVWON-SSDOTTSWSA-N 0 0 156.229 1.136 10 0 ADAERN Oc1c[nH]c(C[C@@H]2CCCCO2)n1 236574795 573720862 /nfs/dbraw/zinc/72/08/62/573720862.db2.gz HCYRPGOEQCFKGE-ZETCQYMHSA-N 0 0 182.223 1.227 10 0 ADAERN CCC[C@]1(C)COC(=O)N1 83965600 573720866 /nfs/dbraw/zinc/72/08/66/573720866.db2.gz JDZQUXVLBXNFIP-SSDOTTSWSA-N 0 0 143.186 1.285 10 0 ADAERN CC(C)C[C@]1(C)COC(=O)N1 83965486 573720885 /nfs/dbraw/zinc/72/08/85/573720885.db2.gz KCWADAQCAGADDX-MRVPVSSYSA-N 0 0 157.213 1.531 10 0 ADAERN COc1cccc([C@@H]2COC(=O)N2)c1 83965242 573720891 /nfs/dbraw/zinc/72/08/91/573720891.db2.gz LYOYUNHYWTYSAO-VIFPVBQESA-N 0 0 193.202 1.476 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CSCCS1 86982532 573720894 /nfs/dbraw/zinc/72/08/94/573720894.db2.gz KBWFNOJDZRXZIZ-YUMQZZPRSA-N 0 0 192.349 1.852 10 0 ADAERN Cc1nc(-c2cc(N)n[nH]2)sc1C 75880046 573720897 /nfs/dbraw/zinc/72/08/97/573720897.db2.gz QHGPVWWLNXFMTL-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]2(C[NH+]=C(N)O2)C1 83966556 573720899 /nfs/dbraw/zinc/72/08/99/573720899.db2.gz CUOXGKRUHVWKFT-NQMVMOMDSA-N 0 0 182.267 1.526 10 0 ADAERN O[C@@H](C1CC1)[C@@H]1CSCCS1 86983209 573720901 /nfs/dbraw/zinc/72/09/01/573720901.db2.gz OHWRSANITSUJRW-YUMQZZPRSA-N 0 0 190.333 1.606 10 0 ADAERN Cc1cc(C)c2c(c1C)OC(=O)[C@@H]2O 238494480 573720905 /nfs/dbraw/zinc/72/09/05/573720905.db2.gz IYPVCTJLAWSBKK-SECBINFHSA-N 0 0 192.214 1.564 10 0 ADAERN O[C@H](c1ccncc1)c1ccccn1 75870997 573720908 /nfs/dbraw/zinc/72/09/08/573720908.db2.gz ZUEMETFJPKWLHX-LLVKDONJSA-N 0 0 186.214 1.558 10 0 ADAERN Cc1cc(N)n(-c2nccs2)n1 124955934 573720912 /nfs/dbraw/zinc/72/09/12/573720912.db2.gz BOMHWTITISZZGR-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CC(=O)[C@@H]1CSCCS1 86981955 573720921 /nfs/dbraw/zinc/72/09/21/573720921.db2.gz QWNFVIAVYJKJQX-LURJTMIESA-N 0 0 162.279 1.424 10 0 ADAERN C[S@@](=N)c1ccc(O)cc1 238494695 573720932 /nfs/dbraw/zinc/72/09/32/573720932.db2.gz LONBWWGMGZKSCG-SNVBAGLBSA-N 0 0 155.222 1.762 10 0 ADAERN C[C@H]1CC[C@@]2(COC(=O)N2)C1 83965845 573720937 /nfs/dbraw/zinc/72/09/37/573720937.db2.gz HZVZTVWSUZXVSZ-XPUUQOCRSA-N 0 0 155.197 1.285 10 0 ADAERN C/C(=C\Cl)CN1CCOCC1 238041673 573720941 /nfs/dbraw/zinc/72/09/41/573720941.db2.gz UBXCHKSYOKVMJG-SOFGYWHQSA-N 0 0 175.659 1.461 10 0 ADAERN C=CC1=CCCC(=O)C1 238043030 573720953 /nfs/dbraw/zinc/72/09/53/573720953.db2.gz UFZPRZZUUXLCOR-UHFFFAOYSA-N 0 0 122.167 1.852 10 0 ADAERN Nc1oncc1-c1ccccc1O 257856107 573720959 /nfs/dbraw/zinc/72/09/59/573720959.db2.gz TZEFOFMSUHTPAM-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN C1=NNCc2nc3ccccc3nc21 238043603 573720967 /nfs/dbraw/zinc/72/09/67/573720967.db2.gz ACKNAPCISLGDJD-UHFFFAOYSA-N 0 0 184.202 1.256 10 0 ADAERN O[C@H](c1ncc[nH]1)c1ccccc1F 75872703 573720987 /nfs/dbraw/zinc/72/09/87/573720987.db2.gz WPONIOHJMZUAQH-VIFPVBQESA-N 0 0 192.193 1.631 10 0 ADAERN COc1ccccc1[C@@H]1COC(=O)N1 83965520 573720996 /nfs/dbraw/zinc/72/09/96/573720996.db2.gz JIJPLSZIBYXTAX-QMMMGPOBSA-N 0 0 193.202 1.476 10 0 ADAERN CCCC[C@H]1OCCCC1=O 197534081 573721000 /nfs/dbraw/zinc/72/10/00/573721000.db2.gz DHEQSFZNJBPSOA-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN C/C=C/[C@@H]1C[C@H](C(C)=O)[C@@H](C)O1 238042345 573721003 /nfs/dbraw/zinc/72/10/03/573721003.db2.gz ULKJYHMHCKECRF-OXFBJLKCSA-N 0 0 168.236 1.945 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)C[NH+]=C(N)O2 83966331 573721007 /nfs/dbraw/zinc/72/10/07/573721007.db2.gz VCFXNYBNXDBANM-WEDXCCLWSA-N 0 0 182.267 1.526 10 0 ADAERN Cc1n[nH]c(C)c1-c1ccc(N)nc1 75878026 573721508 /nfs/dbraw/zinc/72/15/08/573721508.db2.gz LDDSXNJCXMYHOF-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN COc1cccc2nc(C)nn12 257855698 573721012 /nfs/dbraw/zinc/72/10/12/573721012.db2.gz AMMSRJOSMSIPKK-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN C[C@H](O)CCn1cccc1 108280903 573721024 /nfs/dbraw/zinc/72/10/24/573721024.db2.gz XENRKOIBUGCGCE-QMMMGPOBSA-N 0 0 139.198 1.259 10 0 ADAERN O=C1N[C@@H](c2ccc(F)cc2)CO1 83965530 573721025 /nfs/dbraw/zinc/72/10/25/573721025.db2.gz ZDRCZUKZERPBIY-MRVPVSSYSA-N 0 0 181.166 1.607 10 0 ADAERN [NH3+]Cc1nc2n(c1Cl)CCCC2 83965538 573721033 /nfs/dbraw/zinc/72/10/33/573721033.db2.gz LVAKXHPWMJTLIW-UHFFFAOYSA-N 0 0 185.658 1.332 10 0 ADAERN O=C1NC[C@@H]([C@@H]2CCCSC2)O1 258099414 573721036 /nfs/dbraw/zinc/72/10/36/573721036.db2.gz BTWSIIBWTZUWHY-RQJHMYQMSA-N 0 0 187.264 1.238 10 0 ADAERN Cc1cc(C[C@H](O)CO)cc(C)c1C 238493540 573721046 /nfs/dbraw/zinc/72/10/46/573721046.db2.gz RYRYJCLEFUBUDQ-LBPRGKRZSA-N 0 0 194.274 1.508 10 0 ADAERN CC(C)(C)C[C@H]1COC(=O)N1 83966224 573721048 /nfs/dbraw/zinc/72/10/48/573721048.db2.gz YTLYLUAYSIQZHH-LURJTMIESA-N 0 0 157.213 1.531 10 0 ADAERN CC[C@@]1(C(C)C)C[NH+]=C(N)O1 83966459 573721054 /nfs/dbraw/zinc/72/10/54/573721054.db2.gz MAGYYIYRBVAQCX-QMMMGPOBSA-N 0 0 156.229 1.136 10 0 ADAERN Nc1ncccc1COCC(F)F 130899533 573721057 /nfs/dbraw/zinc/72/10/57/573721057.db2.gz SMVLHDYOSLTOTM-UHFFFAOYSA-N 0 0 188.177 1.446 10 0 ADAERN Cc1ccc([C@@H](F)CO)cc1 108282681 573721064 /nfs/dbraw/zinc/72/10/64/573721064.db2.gz PPOAKXXNGMQXAA-VIFPVBQESA-N 0 0 154.184 1.998 10 0 ADAERN C[C@]1(c2ccccn2)COC(=O)N1 83965905 573721066 /nfs/dbraw/zinc/72/10/66/573721066.db2.gz LJFLTXXQCPOWJZ-SECBINFHSA-N 0 0 178.191 1.037 10 0 ADAERN Cc1c(C=O)cc2c(c1C)OCCO2 257856875 573721070 /nfs/dbraw/zinc/72/10/70/573721070.db2.gz QCTCFBWTHKCHCB-UHFFFAOYSA-N 0 0 192.214 1.887 10 0 ADAERN COc1ccc([C@H]2COC(=O)N2)cc1 83965796 573721072 /nfs/dbraw/zinc/72/10/72/573721072.db2.gz TVWMPUHPRMUEMF-SECBINFHSA-N 0 0 193.202 1.476 10 0 ADAERN CC1(C)CCSC[C@@]1(C)O 86973043 573721074 /nfs/dbraw/zinc/72/10/74/573721074.db2.gz IOQLUZASCPAPBN-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN Cc1cc(Cl)c(=O)[nH]c1C 238493765 573721075 /nfs/dbraw/zinc/72/10/75/573721075.db2.gz OMFMIEZKJYWWSC-UHFFFAOYSA-N 0 0 157.600 1.645 10 0 ADAERN O[C@H](c1ccc(F)cc1)c1ncco1 75872119 573721079 /nfs/dbraw/zinc/72/10/79/573721079.db2.gz YRADTRWDBSGOQD-SECBINFHSA-N 0 0 193.177 1.895 10 0 ADAERN C[C@@]1(c2nccs2)COC(=O)N1 83965569 573721086 /nfs/dbraw/zinc/72/10/86/573721086.db2.gz ZRABLBSGDSFTTQ-ZETCQYMHSA-N 0 0 184.220 1.098 10 0 ADAERN C[C@]1(c2ccc(F)cc2)COC(=O)N1 83965603 573721093 /nfs/dbraw/zinc/72/10/93/573721093.db2.gz STTMYUXRGXVZME-SNVBAGLBSA-N 0 0 195.193 1.781 10 0 ADAERN C1=Cc2ncccc2NNC1 238043724 573721112 /nfs/dbraw/zinc/72/11/12/573721112.db2.gz AWWSPUXPMPCRRK-UHFFFAOYSA-N 0 0 147.181 1.025 10 0 ADAERN O=C1N[C@@H]([C@H]2CC=CCC2)CO1 83966210 573721116 /nfs/dbraw/zinc/72/11/16/573721116.db2.gz ICTVLWJSXCVPDQ-JGVFFNPUSA-N 0 0 167.208 1.451 10 0 ADAERN C[C@H]1CC(=O)N(c2ccc(F)cc2)N1 257856843 573721119 /nfs/dbraw/zinc/72/11/19/573721119.db2.gz QBYKTGUOFSWONW-ZETCQYMHSA-N 0 0 194.209 1.456 10 0 ADAERN C[C@H]1SCCC[C@]12CNC(=O)C2 86969605 573721121 /nfs/dbraw/zinc/72/11/21/573721121.db2.gz HFCKKCFVOISJOQ-APPZFPTMSA-N 0 0 185.292 1.408 10 0 ADAERN Nc1cc(COc2ccccc2)on1 257855600 573721140 /nfs/dbraw/zinc/72/11/40/573721140.db2.gz ATBKXWDYVAIFQE-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1c(CCO)cnn1C1CCCC1 258104938 573721142 /nfs/dbraw/zinc/72/11/42/573721142.db2.gz VGYHNJIDLPXGAI-UHFFFAOYSA-N 0 0 195.266 1.115 10 0 ADAERN C[C@]1(c2cccc(O)c2)COC(=O)N1 83966043 573721147 /nfs/dbraw/zinc/72/11/47/573721147.db2.gz FZFJCFIOWXINTP-SNVBAGLBSA-N 0 0 193.202 1.347 10 0 ADAERN Cc1cc(C)c2c(c1)CC[C@@H](CO)O2 238494113 573721158 /nfs/dbraw/zinc/72/11/58/573721158.db2.gz OCAAONDSCBCSKY-NSHDSACASA-N 0 0 192.258 1.989 10 0 ADAERN Cc1ccc2c(c1)CCN(C#N)C2 238493651 573721181 /nfs/dbraw/zinc/72/11/81/573721181.db2.gz BVOQKWGHJIMSBM-UHFFFAOYSA-N 0 0 172.231 1.834 10 0 ADAERN C[C@H]1[NH2+]CCn2c1nc1ccccc12 83965966 573721188 /nfs/dbraw/zinc/72/11/88/573721188.db2.gz BHCRNRYUWFKYNK-MRVPVSSYSA-N 0 0 187.246 1.701 10 0 ADAERN Cc1ccc(C2=NO[C@@H](C)NC2)cc1 238494486 573721192 /nfs/dbraw/zinc/72/11/92/573721192.db2.gz WCAQTZKLNNEPNX-VIFPVBQESA-N 0 0 190.246 1.665 10 0 ADAERN CC(CO)C(=O)c1ccccc1 238042435 573721201 /nfs/dbraw/zinc/72/12/01/573721201.db2.gz QDXUUQVDLNALLM-NTMALXAHSA-N 0 0 164.204 1.968 10 0 ADAERN Cc1ccccc1[C@H](F)CO 108282673 573721204 /nfs/dbraw/zinc/72/12/04/573721204.db2.gz VIPBJSXQVXIZBD-SECBINFHSA-N 0 0 154.184 1.998 10 0 ADAERN Cc1cc(C)c2c(c1N)C(=O)C(=O)N2 238494932 573721207 /nfs/dbraw/zinc/72/12/07/573721207.db2.gz HRYXAIXKJUGENS-UHFFFAOYSA-N 0 0 190.202 1.020 10 0 ADAERN Cc1ccc([C@H]2CNC(=[NH2+])O2)cc1C 83966627 573721217 /nfs/dbraw/zinc/72/12/17/573721217.db2.gz JQOQFWYDDVKEBX-SNVBAGLBSA-N 0 0 190.246 1.689 10 0 ADAERN CC[C@H](C)[C@@]1(C)C[NH+]=C(N)O1 83966343 573721229 /nfs/dbraw/zinc/72/12/29/573721229.db2.gz OFGSGKMZYONYRE-POYBYMJQSA-N 0 0 156.229 1.136 10 0 ADAERN S=c1o[nH]c2c1CCC2 108281158 573721231 /nfs/dbraw/zinc/72/12/31/573721231.db2.gz JICBBWCXSZGSDD-UHFFFAOYSA-N 0 0 141.195 1.826 10 0 ADAERN CC1(C)CCSC[C@@]12CNC(=O)C2 86973953 573721256 /nfs/dbraw/zinc/72/12/56/573721256.db2.gz GUQXPRPWHZHIBE-SNVBAGLBSA-N 0 0 199.319 1.656 10 0 ADAERN c1ccc(C[C@H]2C[NH2+]COC2)cc1 238041840 573721292 /nfs/dbraw/zinc/72/12/92/573721292.db2.gz DMFLZMPGGFTPEC-NSHDSACASA-N 0 0 177.247 1.423 10 0 ADAERN Cc1[nH]c(=O)n(C2CC2)c1C 108282207 573721293 /nfs/dbraw/zinc/72/12/93/573721293.db2.gz HYKOIARLMMQSJN-UHFFFAOYSA-N 0 0 152.197 1.128 10 0 ADAERN Cc1cc(C)c2c(c1)N[C@H](O)N2 238493539 573721295 /nfs/dbraw/zinc/72/12/95/573721295.db2.gz YDHNHLYMDDBIAB-VIFPVBQESA-N 0 0 164.208 1.417 10 0 ADAERN CCC[C@H](O)[C@H]1CSCCS1 86982665 573721296 /nfs/dbraw/zinc/72/12/96/573721296.db2.gz ZIULXWJQZGXWPO-JGVFFNPUSA-N 0 0 192.349 1.996 10 0 ADAERN CC[C@H]1CC[C@@]2(C[NH+]=C(N)O2)C1 83966455 573721299 /nfs/dbraw/zinc/72/12/99/573721299.db2.gz GNHISSHTJLPBRC-CBAPKCEASA-N 0 0 168.240 1.280 10 0 ADAERN C[C@H]1CCC[C@]12COC(=O)N2 83965717 573721338 /nfs/dbraw/zinc/72/13/38/573721338.db2.gz XVCNXISTQRVNDX-XPUUQOCRSA-N 0 0 155.197 1.285 10 0 ADAERN O[C@@H](c1ncc[nH]1)c1ccccc1F 75872704 573721343 /nfs/dbraw/zinc/72/13/43/573721343.db2.gz WPONIOHJMZUAQH-SECBINFHSA-N 0 0 192.193 1.631 10 0 ADAERN C[C@]1(c2ccncc2)COC(=O)N1 83965499 573721355 /nfs/dbraw/zinc/72/13/55/573721355.db2.gz FCGQIYSLRBZMKC-SECBINFHSA-N 0 0 178.191 1.037 10 0 ADAERN COC(=O)C1(CO)CC2(CCCC2)C1 258105558 573721360 /nfs/dbraw/zinc/72/13/60/573721360.db2.gz OGDMCLVIXWQPPA-UHFFFAOYSA-N 0 0 198.262 1.492 10 0 ADAERN COC[C@]1(O)CSCC(C)(C)C1 86977999 573721361 /nfs/dbraw/zinc/72/13/61/573721361.db2.gz PGJPXSCJKHDKDP-VIFPVBQESA-N 0 0 190.308 1.527 10 0 ADAERN Cc1n[nH]cc1[C@H](O)c1ccccc1 75870354 573721369 /nfs/dbraw/zinc/72/13/69/573721369.db2.gz DMCLZEDZPPQQNE-LLVKDONJSA-N 0 0 188.230 1.800 10 0 ADAERN CC(=O)CN1O[C@@H](C(C)(C)C)CC1=O 257857178 573721386 /nfs/dbraw/zinc/72/13/86/573721386.db2.gz NXXDYWDRYVNQOJ-MRVPVSSYSA-N 0 0 199.250 1.154 10 0 ADAERN CC[C@@H]1CC[C@@]2(C[NH+]=C(N)O2)C1 83966454 573721387 /nfs/dbraw/zinc/72/13/87/573721387.db2.gz GNHISSHTJLPBRC-APPZFPTMSA-N 0 0 168.240 1.280 10 0 ADAERN COC[C@]1(O)CSCCC1(C)C 86973042 573721390 /nfs/dbraw/zinc/72/13/90/573721390.db2.gz WHRDIHUGRGUTKC-VIFPVBQESA-N 0 0 190.308 1.527 10 0 ADAERN O=C1N[C@@H](c2ccsc2)CO1 83965395 573721398 /nfs/dbraw/zinc/72/13/98/573721398.db2.gz WFZDKMHRWBZEMD-ZCFIWIBFSA-N 0 0 169.205 1.529 10 0 ADAERN CCc1ccccc1[C@H]1CNC(=[NH2+])O1 83966417 573721405 /nfs/dbraw/zinc/72/14/05/573721405.db2.gz HMDMSHNCZLVDAN-SNVBAGLBSA-N 0 0 190.246 1.635 10 0 ADAERN CCC(CC)[C@@H]1C[NH+]=C(N)O1 83966442 573721413 /nfs/dbraw/zinc/72/14/13/573721413.db2.gz LCPKIUUNMRVWON-ZETCQYMHSA-N 0 0 156.229 1.136 10 0 ADAERN Oc1ccc2c(c1)NC[C@@H]1C[C@H]21 258512630 573721430 /nfs/dbraw/zinc/72/14/30/573721430.db2.gz LMQURLYWGQOZAC-RCOVLWMOSA-N 0 0 161.204 1.921 10 0 ADAERN CC[C@@]1(C(C)C)CNC(=O)O1 83967204 573724211 /nfs/dbraw/zinc/72/42/11/573724211.db2.gz QVINLYLNWXAMIP-QMMMGPOBSA-N 0 0 157.213 1.531 10 0 ADAERN FC(F)(F)CCc1nc(Cl)n[nH]1 86981144 573723415 /nfs/dbraw/zinc/72/34/15/573723415.db2.gz QGJQYYGOSKOBNZ-UHFFFAOYSA-N 0 0 199.563 1.953 10 0 ADAERN C[C@@H](O)[C@H]1CSCCS1 86982658 573723436 /nfs/dbraw/zinc/72/34/36/573723436.db2.gz LOYZNFLPSOBJPM-PHDIDXHHSA-N 0 0 164.295 1.216 10 0 ADAERN CN1Cc2[nH]oc(=S)c2C1 108283583 573723446 /nfs/dbraw/zinc/72/34/46/573723446.db2.gz RWNDNSRNJVJHFS-UHFFFAOYSA-N 0 0 156.210 1.283 10 0 ADAERN Cc1cc(C(=O)C=O)c(C)s1 238485594 573723476 /nfs/dbraw/zinc/72/34/76/573723476.db2.gz FUTVXRBGGOXXPR-UHFFFAOYSA-N 0 0 168.217 1.747 10 0 ADAERN O=c1cc[nH]c(-c2ccncc2F)c1 236583202 573723477 /nfs/dbraw/zinc/72/34/77/573723477.db2.gz BRLWZURRRKMOSL-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN C[C@@]1(Cl)CCCO[C@@H]1O 238496428 573723481 /nfs/dbraw/zinc/72/34/81/573723481.db2.gz DEAFSCMNGHUCTO-NTSWFWBYSA-N 0 0 150.605 1.113 10 0 ADAERN Cc1c(C)c(N)c2c(c1C)COC2=O 238495773 573723493 /nfs/dbraw/zinc/72/34/93/573723493.db2.gz NYFRXMRPLGHVJM-UHFFFAOYSA-N 0 0 191.230 1.864 10 0 ADAERN Cc1c(F)ccn2ccnc12 238495796 573723496 /nfs/dbraw/zinc/72/34/96/573723496.db2.gz OSZJRXMRXWEMJF-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN Cc1ccc(-c2cn[nH]c(=O)c2N)o1 258099035 573723507 /nfs/dbraw/zinc/72/35/07/573723507.db2.gz XYMHWSLNSPXCMG-UHFFFAOYSA-N 0 0 191.190 1.333 10 0 ADAERN CO[C@@H]1NC(=O)C(C)(C)CC1(C)C 143008923 573723512 /nfs/dbraw/zinc/72/35/12/573723512.db2.gz SOKCTEWMGXWUMS-QMMMGPOBSA-N 0 0 185.267 1.531 10 0 ADAERN Nc1cc(Cl)cc2c1NCCC2=O 142979380 573723517 /nfs/dbraw/zinc/72/35/17/573723517.db2.gz KFEVIPAUDKQBHE-UHFFFAOYSA-N 0 0 196.637 1.921 10 0 ADAERN CC[C@]1(OC)CC[C@H](OC)O1 143018007 573723544 /nfs/dbraw/zinc/72/35/44/573723544.db2.gz SXPXTWDTSIXSMS-HTQZYQBOSA-N 0 0 160.213 1.522 10 0 ADAERN O=Cc1cnn(-c2nccs2)c1 124958103 573723549 /nfs/dbraw/zinc/72/35/49/573723549.db2.gz VVONJLSVCLSVPA-UHFFFAOYSA-N 0 0 179.204 1.141 10 0 ADAERN C[C@@]12CC[C@H]1CCC2=O 142996338 573723552 /nfs/dbraw/zinc/72/35/52/573723552.db2.gz RDPYRVKMKNWRMD-HTRCEHHLSA-N 0 0 124.183 1.766 10 0 ADAERN COC(=O)[C@@]12CC[C@@H](C[C@@H](O)C1)C2 142939638 573723569 /nfs/dbraw/zinc/72/35/69/573723569.db2.gz RSIPDSIAPYHTOZ-QXFUBDJGSA-N 0 0 184.235 1.101 10 0 ADAERN Cc1ccc(F)c2ncc(N)n12 238495414 573723579 /nfs/dbraw/zinc/72/35/79/573723579.db2.gz PQFXTDSOLZTCJR-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN Cc1c(F)cccc1-n1cc(N)cn1 238495606 573723583 /nfs/dbraw/zinc/72/35/83/573723583.db2.gz ILRZDUSMHXPYJY-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN O=C1NC[C@H](c2cccc(F)c2F)O1 83967254 573723584 /nfs/dbraw/zinc/72/35/84/573723584.db2.gz MXVDJDKBCCAUAB-SSDOTTSWSA-N 0 0 199.156 1.746 10 0 ADAERN C[C@@H](N)c1nc2ccc(F)cc2o1 75883657 573723620 /nfs/dbraw/zinc/72/36/20/573723620.db2.gz XUTVXOMSYHTDIA-RXMQYKEDSA-N 0 0 180.182 1.987 10 0 ADAERN CCc1cc(=O)n2cccc(C)c2n1 143016913 573723635 /nfs/dbraw/zinc/72/36/35/573723635.db2.gz KXEYZBYRHYURLQ-UHFFFAOYSA-N 0 0 188.230 1.565 10 0 ADAERN CN(C)c1c(F)ccc2[nH]nc(N)c12 75883925 573723644 /nfs/dbraw/zinc/72/36/44/573723644.db2.gz UTLFTJUPCDPWKZ-UHFFFAOYSA-N 0 0 194.213 1.350 10 0 ADAERN C[C@@H]1C[C@H]2CCC(=O)C[C@@H]2O1 238485624 573723648 /nfs/dbraw/zinc/72/36/48/573723648.db2.gz IBHPEPLAUJZFNV-BHNWBGBOSA-N 0 0 154.209 1.533 10 0 ADAERN CC(C)[N@H+](C[C@H]1C[C@H]1C)[C@H](C)C(=O)[O-] 308680975 573723651 /nfs/dbraw/zinc/72/36/51/573723651.db2.gz XPPJQPCWTNTQAO-OPRDCNLKSA-N 0 0 199.294 1.826 10 0 ADAERN Cc1c(F)cccc1[C@H]1CNC(=O)C1 238495034 573723660 /nfs/dbraw/zinc/72/36/60/573723660.db2.gz HERWXNIOHKTZHW-MRVPVSSYSA-N 0 0 193.221 1.738 10 0 ADAERN C[C@H]1Cc2ccccc2O[C@H]1O 238485634 573723666 /nfs/dbraw/zinc/72/36/66/573723666.db2.gz GNYUPPUOTKNBLS-OIBJUYFYSA-N 0 0 164.204 1.576 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]2(CNC(=O)O2)C1 83967625 573723672 /nfs/dbraw/zinc/72/36/72/573723672.db2.gz VXQANRMUJGEAIO-NQMVMOMDSA-N 0 0 183.251 1.921 10 0 ADAERN CCn1cc(CO)c2ccc(N)cc21 258104851 573723673 /nfs/dbraw/zinc/72/36/73/573723673.db2.gz SICXFPHXMRXBJV-UHFFFAOYSA-N 0 0 190.246 1.736 10 0 ADAERN C[C@H]1CC[C@]2(CNC(=O)O2)C1 83967594 573723680 /nfs/dbraw/zinc/72/36/80/573723680.db2.gz HIDSLXVKITUGGT-POYBYMJQSA-N 0 0 155.197 1.285 10 0 ADAERN COCc1ccc2c(c1)[C@@H](O)CC2 83969807 573723698 /nfs/dbraw/zinc/72/36/98/573723698.db2.gz YJHGCLYPCWZERS-NSHDSACASA-N 0 0 178.231 1.813 10 0 ADAERN CC(C)C[C@@]1(C)CNC(=O)O1 83967219 573723719 /nfs/dbraw/zinc/72/37/19/573723719.db2.gz LUYBIYVSLQLFGK-QMMMGPOBSA-N 0 0 157.213 1.531 10 0 ADAERN CCCc1sc(N)nc1C(C)=O 258512562 573723724 /nfs/dbraw/zinc/72/37/24/573723724.db2.gz FNUYLZIXLVTJPV-UHFFFAOYSA-N 0 0 184.264 1.880 10 0 ADAERN CCC[C@@H](C)[C@@H]1CNC(=O)O1 83967619 573723770 /nfs/dbraw/zinc/72/37/70/573723770.db2.gz ZZKNSRBHEGTIDN-RQJHMYQMSA-N 0 0 157.213 1.531 10 0 ADAERN C[C@@]1(O)CC2(CCCC2)CC1=O 238495378 573723781 /nfs/dbraw/zinc/72/37/81/573723781.db2.gz HEUKVRWCTYQACJ-SECBINFHSA-N 0 0 168.236 1.661 10 0 ADAERN CC(C)C[C@]1(C)CNC(=O)O1 83967218 573723783 /nfs/dbraw/zinc/72/37/83/573723783.db2.gz LUYBIYVSLQLFGK-MRVPVSSYSA-N 0 0 157.213 1.531 10 0 ADAERN CC1(C)[C@H]2C[C@@H]1C[C@H](O)[C@H]2CO 142943667 573723794 /nfs/dbraw/zinc/72/37/94/573723794.db2.gz QNNMNSPHQBVDQZ-XGEHTFHBSA-N 0 0 170.252 1.022 10 0 ADAERN Cc1nnc(-c2sccc2N)n1C 42013813 573723796 /nfs/dbraw/zinc/72/37/96/573723796.db2.gz YVDSOXJCFPHREA-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1ccc2c3c([nH]c2c1)CNC3=O 238496367 573723803 /nfs/dbraw/zinc/72/38/03/573723803.db2.gz SGMKLUAOEJAPJY-UHFFFAOYSA-N 0 0 186.214 1.720 10 0 ADAERN Cc1nc(C(F)F)c(O)cc1O 238496086 573723812 /nfs/dbraw/zinc/72/38/12/573723812.db2.gz VQSYQDFQWLJXEK-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN CC(C)CC[C@@H]1CC(=O)C=C1O 142918120 573723814 /nfs/dbraw/zinc/72/38/14/573723814.db2.gz ZVCBKPFBGRQOQT-MRVPVSSYSA-N 0 0 168.236 1.971 10 0 ADAERN CN1C[C@H](C2CCCCC2)OC(=O)N1 257858076 573723828 /nfs/dbraw/zinc/72/38/28/573723828.db2.gz NZPPLLUGNZISQG-SECBINFHSA-N 0 0 198.266 1.522 10 0 ADAERN C/C(Cl)=C(\C)CCO 238047611 573723836 /nfs/dbraw/zinc/72/38/36/573723836.db2.gz VTXCWSYZXKKUKR-WAYWQWQTSA-N 0 0 134.606 1.902 10 0 ADAERN O=C1CC[C@@H]2CCCC[C@@]12O 142918990 573723838 /nfs/dbraw/zinc/72/38/38/573723838.db2.gz PJTWIKQQEWSHMW-CBAPKCEASA-N 0 0 154.209 1.271 10 0 ADAERN CC(C)[N@H+](C[C@@H]1C[C@H]1C)[C@@H](C)C(=O)[O-] 308680979 573723841 /nfs/dbraw/zinc/72/38/41/573723841.db2.gz XPPJQPCWTNTQAO-UTLUCORTSA-N 0 0 199.294 1.826 10 0 ADAERN O=c1[nH][nH]c2c(F)cc(F)cc12 75883932 573723867 /nfs/dbraw/zinc/72/38/67/573723867.db2.gz AHGCNIQVILOJCE-UHFFFAOYSA-N 0 0 170.118 1.547 10 0 ADAERN C[C@H]1CCC[C@]12CNC(=O)O2 83967560 573723885 /nfs/dbraw/zinc/72/38/85/573723885.db2.gz HBKYDRWRKMXWRP-XPUUQOCRSA-N 0 0 155.197 1.285 10 0 ADAERN COCCc1ccc(CNO)cc1 258105919 573723886 /nfs/dbraw/zinc/72/38/86/573723886.db2.gz YJHRJJDECLOINX-UHFFFAOYSA-N 0 0 181.235 1.354 10 0 ADAERN C[C@@H]1Oc2c(ccc(F)c2F)NC1=O 75883204 573723889 /nfs/dbraw/zinc/72/38/89/573723889.db2.gz AGAZPBSCJPQFTA-BYPYZUCNSA-N 0 0 199.156 1.684 10 0 ADAERN C[C@@]1(O)CC(=O)c2ccccc2[C@@H]1O 238495262 573723897 /nfs/dbraw/zinc/72/38/97/573723897.db2.gz BHTJXAXBGQGQRW-WDEREUQCSA-N 0 0 192.214 1.057 10 0 ADAERN Cc1cc(F)ccc1[C@H]1CNC(=O)O1 83967495 573723915 /nfs/dbraw/zinc/72/39/15/573723915.db2.gz UOXSNXMGYCUXPF-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN [NH3+][C@](CF)(C(=O)[O-])C1CCCCC1 257857799 573723919 /nfs/dbraw/zinc/72/39/19/573723919.db2.gz QIGBCNJFUVSMEZ-VIFPVBQESA-N 0 0 189.230 1.318 10 0 ADAERN C[C@H]1CC[C@@]2(CNC(=O)O2)C1 83967596 573723923 /nfs/dbraw/zinc/72/39/23/573723923.db2.gz HIDSLXVKITUGGT-XPUUQOCRSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@]1(C2CCCC2)CNC(=O)O1 83967386 573723931 /nfs/dbraw/zinc/72/39/31/573723931.db2.gz PCUCWVYOPOVOCB-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H]1Oc2c(ccc(F)c2F)NC1=O 75883202 573723932 /nfs/dbraw/zinc/72/39/32/573723932.db2.gz AGAZPBSCJPQFTA-SCSAIBSYSA-N 0 0 199.156 1.684 10 0 ADAERN C[C@@H](CO)c1cc(F)ccc1O 258106051 573723941 /nfs/dbraw/zinc/72/39/41/573723941.db2.gz YMJIYULURDAVBU-LURJTMIESA-N 0 0 170.183 1.627 10 0 ADAERN CN(C)c1ccc2[nH][nH]c(=O)c2c1 75883929 573723960 /nfs/dbraw/zinc/72/39/60/573723960.db2.gz QKMCHXAUXWNFNC-UHFFFAOYSA-N 0 0 177.207 1.335 10 0 ADAERN CC1CCC2(CC1)CNC(=O)O2 83967302 573723970 /nfs/dbraw/zinc/72/39/70/573723970.db2.gz WNHXETRHVWPJFE-UHFFFAOYSA-N 0 0 169.224 1.675 10 0 ADAERN N#C[C@@H](N)CCC(F)(F)F 142982412 573723983 /nfs/dbraw/zinc/72/39/83/573723983.db2.gz XMMUZYAEVNFMIL-BYPYZUCNSA-N 0 0 152.119 1.180 10 0 ADAERN Cc1c(F)ccn2cnnc12 238495868 573724008 /nfs/dbraw/zinc/72/40/08/573724008.db2.gz ZQGQRTMCVMIMOO-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN CC[C@@H](O)[C@H]1CSCCS1 86982985 573724017 /nfs/dbraw/zinc/72/40/17/573724017.db2.gz FVFOWBPJOACOOF-RNFRBKRXSA-N 0 0 178.322 1.606 10 0 ADAERN Cc1cccc(Nc2cc(=O)[nH][nH]2)c1 238496316 573724026 /nfs/dbraw/zinc/72/40/26/573724026.db2.gz VIHQBNQFPKBELB-UHFFFAOYSA-N 0 0 189.218 1.755 10 0 ADAERN CC1(C)CSC[C@]2(CNC(=O)C2)C1 86978977 573724028 /nfs/dbraw/zinc/72/40/28/573724028.db2.gz IILIFXOZZMCMRK-JTQLQIEISA-N 0 0 199.319 1.656 10 0 ADAERN Cc1ccc2c(c1)C=C[C@H](O)N2C#N 238495881 573724057 /nfs/dbraw/zinc/72/40/57/573724057.db2.gz YWLIHGUETAJOLD-NSHDSACASA-N 0 0 186.214 1.628 10 0 ADAERN OC[C@@H](F)c1ccccc1F 108284253 573724065 /nfs/dbraw/zinc/72/40/65/573724065.db2.gz BIWCXEXKIWAURQ-MRVPVSSYSA-N 0 0 158.147 1.829 10 0 ADAERN CC1(C)CCSC[C@]1(C)O 86973046 573724084 /nfs/dbraw/zinc/72/40/84/573724084.db2.gz IOQLUZASCPAPBN-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN C[C@@H](O)c1coc([C@@H]2CCCCN2)n1 258104013 573724129 /nfs/dbraw/zinc/72/41/29/573724129.db2.gz NQPOZIPOQZNRTG-SFYZADRCSA-N 0 0 196.250 1.543 10 0 ADAERN Cc1oc2ccc(F)cc2c(=O)c1N 238495363 573724145 /nfs/dbraw/zinc/72/41/45/573724145.db2.gz LJBZDZULMPOIRD-UHFFFAOYSA-N 0 0 193.177 1.823 10 0 ADAERN OC[C@H]1C[C@@]1(F)c1ccccc1 142899707 573724146 /nfs/dbraw/zinc/72/41/46/573724146.db2.gz AUXKTRHHSROWHO-NXEZZACHSA-N 0 0 166.195 1.864 10 0 ADAERN CC(=O)[C@H]1C=CO[C@@H]1C 238495338 573724172 /nfs/dbraw/zinc/72/41/72/573724172.db2.gz GQLRWMOKEQJFMG-RNFRBKRXSA-N 0 0 126.155 1.124 10 0 ADAERN CC(C)CC[C@H]1CC(=O)C=C1O 142918333 573724173 /nfs/dbraw/zinc/72/41/73/573724173.db2.gz ZVCBKPFBGRQOQT-QMMMGPOBSA-N 0 0 168.236 1.971 10 0 ADAERN CC[C@@]1(C2CC2)CNC(=O)O1 83967592 573724178 /nfs/dbraw/zinc/72/41/78/573724178.db2.gz AUUDSHXXRDSFAJ-QMMMGPOBSA-N 0 0 155.197 1.285 10 0 ADAERN COCc1ccc2c(c1)C(=O)NCC2 83969530 573724186 /nfs/dbraw/zinc/72/41/86/573724186.db2.gz NMIMUNIBBSHDAR-UHFFFAOYSA-N 0 0 191.230 1.119 10 0 ADAERN Oc1ccc2c(c1)NC[C@H]1C[C@@H]21 258512627 573724193 /nfs/dbraw/zinc/72/41/93/573724193.db2.gz LMQURLYWGQOZAC-HZGVNTEJSA-N 0 0 161.204 1.921 10 0 ADAERN COCCCNC(=O)OC(C)C 126940952 573724843 /nfs/dbraw/zinc/72/48/43/573724843.db2.gz ZNJBAYXMYQHYAR-UHFFFAOYSA-N 0 0 175.228 1.158 10 0 ADAERN CN1C[C@@H](C2CCCCC2)OC(=O)N1 257858078 573724846 /nfs/dbraw/zinc/72/48/46/573724846.db2.gz NZPPLLUGNZISQG-VIFPVBQESA-N 0 0 198.266 1.522 10 0 ADAERN CCC(=O)[C@H]1CSCCS1 86981873 573724850 /nfs/dbraw/zinc/72/48/50/573724850.db2.gz AWASTAWTADUTOS-SSDOTTSWSA-N 0 0 176.306 1.814 10 0 ADAERN Cc1cc(O)c(F)c(CCO)c1 258105839 573724851 /nfs/dbraw/zinc/72/48/51/573724851.db2.gz YICVIVKKZYYHNY-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN Nc1cnnc(-c2ccc(F)cc2)c1 258104346 573724886 /nfs/dbraw/zinc/72/48/86/573724886.db2.gz YJXAALIPNGDQST-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Cc1ccc(C(=O)[O-])c(C2([NH3+])CC2)c1 257857776 573724899 /nfs/dbraw/zinc/72/48/99/573724899.db2.gz QHYGEYMUFMWZSP-UHFFFAOYSA-N 0 0 191.230 1.641 10 0 ADAERN Cc1nc(C(F)F)c(O)cc1CO 238495910 573724903 /nfs/dbraw/zinc/72/49/03/573724903.db2.gz FCHSCJSWKUUPKK-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN O=Nc1cccn2ccnc12 79052290 573724910 /nfs/dbraw/zinc/72/49/10/573724910.db2.gz KCKLMQQKOFFGPR-UHFFFAOYSA-N 0 0 147.137 1.732 10 0 ADAERN Cc1ccc(F)c2nncn12 238495462 573724931 /nfs/dbraw/zinc/72/49/31/573724931.db2.gz PYWJKSOLINEBMY-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN CC(C)[C@@H](O)CCNc1cnccn1 308682097 573724936 /nfs/dbraw/zinc/72/49/36/573724936.db2.gz XXZUEIWUZKPKKR-VIFPVBQESA-N 0 0 195.266 1.296 10 0 ADAERN CC1(C)CSC[C@@](C)(O)C1 86978011 573724940 /nfs/dbraw/zinc/72/49/40/573724940.db2.gz QORQHHPMPNYUMM-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN CCC[C@@H]1C[C@]2(CCO1)CNC(=O)O2 83967321 573724949 /nfs/dbraw/zinc/72/49/49/573724949.db2.gz MZFQMFYFTKTOFE-PSASIEDQSA-N 0 0 199.250 1.444 10 0 ADAERN C[C@H]1SCCC[C@@]12CNC(=O)C2 86969608 573724961 /nfs/dbraw/zinc/72/49/61/573724961.db2.gz HFCKKCFVOISJOQ-VXNVDRBHSA-N 0 0 185.292 1.408 10 0 ADAERN OC[C@H](F)c1ccccc1F 108284256 573724970 /nfs/dbraw/zinc/72/49/70/573724970.db2.gz BIWCXEXKIWAURQ-QMMMGPOBSA-N 0 0 158.147 1.829 10 0 ADAERN Nc1ccc(COCC(F)F)cn1 130900483 573724973 /nfs/dbraw/zinc/72/49/73/573724973.db2.gz ZSORFJRNOOJEBU-UHFFFAOYSA-N 0 0 188.177 1.446 10 0 ADAERN S=C1NCCCc2ccccc21 142999179 573725007 /nfs/dbraw/zinc/72/50/07/573725007.db2.gz BDIYKNQZDNDQDG-UHFFFAOYSA-N 0 0 177.272 1.898 10 0 ADAERN CN(C)c1ccc2c(=O)[nH][nH]c2c1 75883942 573725015 /nfs/dbraw/zinc/72/50/15/573725015.db2.gz CTRZAFFKQWUJIE-UHFFFAOYSA-N 0 0 177.207 1.335 10 0 ADAERN C[C@@H]1CC[C@]2(CNC(=O)O2)C1 83967593 573725029 /nfs/dbraw/zinc/72/50/29/573725029.db2.gz HIDSLXVKITUGGT-HTRCEHHLSA-N 0 0 155.197 1.285 10 0 ADAERN Cc1cc(C(F)(F)F)cnc1CO 238495887 573725056 /nfs/dbraw/zinc/72/50/56/573725056.db2.gz AXAQESAPWAGJNS-UHFFFAOYSA-N 0 0 191.152 1.901 10 0 ADAERN C[C@@]1(Cl)CCCC(=O)[C@@H]1O 238496226 573725065 /nfs/dbraw/zinc/72/50/65/573725065.db2.gz XRMXIWFHOXAQHZ-NKWVEPMBSA-N 0 0 162.616 1.098 10 0 ADAERN C[C@@H]1CCC[C@]2(CNC(=O)O2)C1 83967567 573725067 /nfs/dbraw/zinc/72/50/67/573725067.db2.gz DMSMZBFYSRQVFG-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN CCC[C@@H]1C[C@@]2(CCO1)CNC(=O)O2 83967317 573725086 /nfs/dbraw/zinc/72/50/86/573725086.db2.gz MZFQMFYFTKTOFE-SCZZXKLOSA-N 0 0 199.250 1.444 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)O2)cc1F 83967549 573725110 /nfs/dbraw/zinc/72/51/10/573725110.db2.gz XLEWNFBUKSPKLQ-VIFPVBQESA-N 0 0 195.193 1.915 10 0 ADAERN CNC(=O)c1nc2ccc(F)cc2o1 75883618 573725123 /nfs/dbraw/zinc/72/51/23/573725123.db2.gz OVMVPYHJIKLKMT-UHFFFAOYSA-N 0 0 194.165 1.327 10 0 ADAERN NN[C@H](C1CCCCC1)C(F)(F)F 97522961 573725131 /nfs/dbraw/zinc/72/51/31/573725131.db2.gz APXLSAPJLSFVOM-SSDOTTSWSA-N 0 0 196.216 1.961 10 0 ADAERN CCO[C@@H]1CNc2ccc(F)cc2O1 75883360 573725144 /nfs/dbraw/zinc/72/51/44/573725144.db2.gz QYRAGOVFHUPUSI-JTQLQIEISA-N 0 0 197.209 1.993 10 0 ADAERN Cc1cc(C)c2[nH]c(=O)oc2n1 238495078 573725145 /nfs/dbraw/zinc/72/51/45/573725145.db2.gz FNZGKXWMTOLGOQ-UHFFFAOYSA-N 0 0 164.164 1.133 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@](O)(CO)C1 238495152 573725167 /nfs/dbraw/zinc/72/51/67/573725167.db2.gz XZJIQKVPYBDGTB-AYMMMOKOSA-N 0 0 158.241 1.166 10 0 ADAERN O=C1NC[C@H](c2ccc(F)cc2F)O1 83967416 573725176 /nfs/dbraw/zinc/72/51/76/573725176.db2.gz IURJJRXORYXPEJ-MRVPVSSYSA-N 0 0 199.156 1.746 10 0 ADAERN CC(=O)[C@@H]1C=CO[C@@H]1C 238495645 573725177 /nfs/dbraw/zinc/72/51/77/573725177.db2.gz GQLRWMOKEQJFMG-RQJHMYQMSA-N 0 0 126.155 1.124 10 0 ADAERN Cc1oc2ccnc(C(N)=O)c2c1C 238496042 573725180 /nfs/dbraw/zinc/72/51/80/573725180.db2.gz ZQMJSULULFHTMB-UHFFFAOYSA-N 0 0 190.202 1.544 10 0 ADAERN COCc1ccc2c(c1)[C@H](O)CC2 83969805 573725186 /nfs/dbraw/zinc/72/51/86/573725186.db2.gz YJHGCLYPCWZERS-LLVKDONJSA-N 0 0 178.231 1.813 10 0 ADAERN CCO[C@@H]1CNc2cc(F)ccc2O1 75883363 573725188 /nfs/dbraw/zinc/72/51/88/573725188.db2.gz UFPIELRMZDMBCU-JTQLQIEISA-N 0 0 197.209 1.993 10 0 ADAERN Clc1cnc2n1CCCN2 108284216 573725190 /nfs/dbraw/zinc/72/51/90/573725190.db2.gz CKODBKGXGJHGAT-UHFFFAOYSA-N 0 0 157.604 1.352 10 0 ADAERN C[C@@H]1CCCC[C@@]12CNC(=O)O2 83967563 573725191 /nfs/dbraw/zinc/72/51/91/573725191.db2.gz OUJPKAFVMOLWNK-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN CC(=O)C(F)(F)C1CC1 257858245 573725212 /nfs/dbraw/zinc/72/52/12/573725212.db2.gz ULPMFTUJWCRZNQ-UHFFFAOYSA-N 0 0 134.125 1.621 10 0 ADAERN Cc1cccc(C(=O)c2c[nH]cn2)c1 143025273 573725213 /nfs/dbraw/zinc/72/52/13/573725213.db2.gz BZMJFLKVFFGNRT-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN CC(=O)[C@@H](Cc1ncnn1C)C(C)C 83971847 573725220 /nfs/dbraw/zinc/72/52/20/573725220.db2.gz SUUYKKQLTXDVQB-VIFPVBQESA-N 0 0 195.266 1.219 10 0 ADAERN Cc1ccc2cc(N)ncc2n1 142923082 573725221 /nfs/dbraw/zinc/72/52/21/573725221.db2.gz JCQZTXQVOQIPCR-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN O[C@@H]1COC[C@H]1C1CCCCC1 687965331 573725225 /nfs/dbraw/zinc/72/52/25/573725225.db2.gz GIJGYEVAVOJVQM-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN CN1N=C(C(F)(F)F)C2(CC2)C1=O 75891010 573725234 /nfs/dbraw/zinc/72/52/34/573725234.db2.gz ADSKZNZDXWEJOZ-UHFFFAOYSA-N 0 0 192.140 1.157 10 0 ADAERN COCc1cccc([C@H](C)O)c1 83968729 573725239 /nfs/dbraw/zinc/72/52/39/573725239.db2.gz MHPFPTAMSYECHP-QMMMGPOBSA-N 0 0 166.220 1.886 10 0 ADAERN C[N@@H+]1CC[C@@H]([C@](C)(F)CC(=O)[O-])C1 257857660 573725241 /nfs/dbraw/zinc/72/52/41/573725241.db2.gz QGCASHPSKIGHIP-VXNVDRBHSA-N 0 0 189.230 1.141 10 0 ADAERN OC[C@@H](F)c1cccc(F)c1 108284243 573725242 /nfs/dbraw/zinc/72/52/42/573725242.db2.gz BLIUVQLCNCYIAV-MRVPVSSYSA-N 0 0 158.147 1.829 10 0 ADAERN CC(C)[C@@H]1C[C@]2(CCO1)CNC(=O)O2 83967399 573725250 /nfs/dbraw/zinc/72/52/50/573725250.db2.gz XWUYKRJPOZXRFZ-WCBMZHEXSA-N 0 0 199.250 1.300 10 0 ADAERN COc1nccc(-c2cccnc2)n1 259173505 573725258 /nfs/dbraw/zinc/72/52/58/573725258.db2.gz UIKNBNLGUNDCHI-UHFFFAOYSA-N 0 0 187.202 1.547 10 0 ADAERN CCOc1c(C)cnc(F)c1OC 142983309 573725267 /nfs/dbraw/zinc/72/52/67/573725267.db2.gz NPMSDLNRBDWCNJ-UHFFFAOYSA-N 0 0 185.198 1.936 10 0 ADAERN C[C@@]1(O)CC2=C(CCC2)N1 238495432 573725270 /nfs/dbraw/zinc/72/52/70/573725270.db2.gz HPMHUPOTJDCOSH-MRVPVSSYSA-N 0 0 139.198 1.126 10 0 ADAERN CC(C)NC(=O)c1ccoc1N 257857693 573725281 /nfs/dbraw/zinc/72/52/81/573725281.db2.gz BBEPREAJVLKHTE-UHFFFAOYSA-N 0 0 168.196 1.000 10 0 ADAERN CC(C)CC[C@]1(C)CNC(=O)O1 83967476 573725283 /nfs/dbraw/zinc/72/52/83/573725283.db2.gz XVRDJZDRHCXQJE-SECBINFHSA-N 0 0 171.240 1.921 10 0 ADAERN Cc1nc(C(F)F)c(N)cc1O 238495471 573725288 /nfs/dbraw/zinc/72/52/88/573725288.db2.gz NWWDIWJPMBFVNJ-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C[C@@H](c1ccccc1)[C@@H]1CNC(=O)O1 83967461 573725301 /nfs/dbraw/zinc/72/53/01/573725301.db2.gz CFMCTTIKORFPRY-WPRPVWTQSA-N 0 0 191.230 1.899 10 0 ADAERN CC[C@H](C)[C@@]1(C)CNC(=O)O1 83967213 573725337 /nfs/dbraw/zinc/72/53/37/573725337.db2.gz WRSVLBZEDTXQNP-POYBYMJQSA-N 0 0 157.213 1.531 10 0 ADAERN Cc1cn(Cc2cccc(N)c2)cn1 142899892 573725338 /nfs/dbraw/zinc/72/53/38/573725338.db2.gz ZCHJZTUHSQCTED-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN CC[C@@H]1CC[C@@]2(CNC(=O)O2)C1 83967362 573725357 /nfs/dbraw/zinc/72/53/57/573725357.db2.gz UCRWARSHDIVIQQ-APPZFPTMSA-N 0 0 169.224 1.675 10 0 ADAERN CCc1c(C)oc(C)cc1=O 142904240 573725365 /nfs/dbraw/zinc/72/53/65/573725365.db2.gz GTJBPYNIZNUUGA-UHFFFAOYSA-N 0 0 152.193 1.819 10 0 ADAERN Cc1cc(C)c2[nH]oc(=O)c2c1 238496048 573725371 /nfs/dbraw/zinc/72/53/71/573725371.db2.gz ISQOJOPOKOUYQH-UHFFFAOYSA-N 0 0 163.176 1.738 10 0 ADAERN CN(C)c1ccc2c(N)n[nH]c2c1 75883923 573725386 /nfs/dbraw/zinc/72/53/86/573725386.db2.gz WDPZMWBRUACPGO-UHFFFAOYSA-N 0 0 176.223 1.211 10 0 ADAERN CC(C)SCc1cc(N)nn1C 257857764 573725394 /nfs/dbraw/zinc/72/53/94/573725394.db2.gz BDOIAMOQGOYULO-UHFFFAOYSA-N 0 0 185.296 1.644 10 0 ADAERN Cn1ncnc1CC1(O)CCCCC1 83972641 573725435 /nfs/dbraw/zinc/72/54/35/573725435.db2.gz KDNZRMXOZYPXNS-UHFFFAOYSA-N 0 0 195.266 1.053 10 0 ADAERN BrC1=NO[C@H](C2CC2)C1 257857823 573725464 /nfs/dbraw/zinc/72/54/64/573725464.db2.gz QIODDYXBLVNVSD-YFKPBYRVSA-N 0 0 190.040 1.894 10 0 ADAERN CCC/C=C/C(=O)NC(C)C 224620741 573725467 /nfs/dbraw/zinc/72/54/67/573725467.db2.gz DRERPILFXKSYQV-VOTSOKGWSA-N 0 0 155.241 1.867 10 0 ADAERN COCc1ccc([C@H]2CC(=O)N2)cc1 83970021 573725469 /nfs/dbraw/zinc/72/54/69/573725469.db2.gz FSQKQCIORYGQLT-SNVBAGLBSA-N 0 0 191.230 1.394 10 0 ADAERN CO[C@@H](CO)CCc1ccc(F)cc1 257858154 573725475 /nfs/dbraw/zinc/72/54/75/573725475.db2.gz OBANYDLQAJBPCP-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN CC(C)OC(=N)c1ccncc1 142939291 573725487 /nfs/dbraw/zinc/72/54/87/573725487.db2.gz FYAFDNWRBICCAD-UHFFFAOYSA-N 0 0 164.208 1.832 10 0 ADAERN C[C@@]1(O)CCCc2cc(O)ccc21 238495695 573725493 /nfs/dbraw/zinc/72/54/93/573725493.db2.gz HISHEHPWQPVEFC-LLVKDONJSA-N 0 0 178.231 1.936 10 0 ADAERN CO[C@H](CO)CCc1ccc(F)cc1 257858156 573725502 /nfs/dbraw/zinc/72/55/02/573725502.db2.gz OBANYDLQAJBPCP-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN C[C@@H]1CC[C@]2(CNC(=O)O2)[C@H](C)C1 83967589 573725503 /nfs/dbraw/zinc/72/55/03/573725503.db2.gz ISRKQQUQIBFWLM-MRTMQBJTSA-N 0 0 183.251 1.921 10 0 ADAERN CCC[C@@]1(C)CNC(=O)O1 83967412 573725510 /nfs/dbraw/zinc/72/55/10/573725510.db2.gz VKMPJTDYQXAHRA-ZETCQYMHSA-N 0 0 143.186 1.285 10 0 ADAERN NOCc1c[nH]c2cc(O)ccc12 258108249 573725527 /nfs/dbraw/zinc/72/55/27/573725527.db2.gz IYAKSLGWNOEYSF-UHFFFAOYSA-N 0 0 178.191 1.264 10 0 ADAERN CCC[C@]1(C)CNC(=O)O1 83967411 573725531 /nfs/dbraw/zinc/72/55/31/573725531.db2.gz VKMPJTDYQXAHRA-SSDOTTSWSA-N 0 0 143.186 1.285 10 0 ADAERN C[C@@H](O)c1ccc(-n2ccnn2)cc1 258106400 573725534 /nfs/dbraw/zinc/72/55/34/573725534.db2.gz PGXSDKUQCIHJBL-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN [NH3+][C@@](CF)(C(=O)[O-])C1CCCCC1 257857796 573725539 /nfs/dbraw/zinc/72/55/39/573725539.db2.gz QIGBCNJFUVSMEZ-SECBINFHSA-N 0 0 189.230 1.318 10 0 ADAERN Cc1ccc(F)c2nccn12 238495443 573725554 /nfs/dbraw/zinc/72/55/54/573725554.db2.gz GUHKAYSQJVNBOS-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN C[C@@]1(O)CCCc2c(O)cccc21 238495651 573725564 /nfs/dbraw/zinc/72/55/64/573725564.db2.gz ICGXFMZROQCZIM-LLVKDONJSA-N 0 0 178.231 1.936 10 0 ADAERN COc1c(F)ccc(CCO)c1O 258108498 573725574 /nfs/dbraw/zinc/72/55/74/573725574.db2.gz PIBOGQPCUJUPIC-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN C[NH2+]C[C@@H](O)c1oc(C2CC2)nc1C 257858364 573725588 /nfs/dbraw/zinc/72/55/88/573725588.db2.gz QJCVAMREXFKJDM-MRVPVSSYSA-N 0 0 196.250 1.113 10 0 ADAERN OC[C@H](F)c1cccc(O)c1 108283520 573725590 /nfs/dbraw/zinc/72/55/90/573725590.db2.gz RHRFFCKNFFXBGC-QMMMGPOBSA-N 0 0 156.156 1.395 10 0 ADAERN CCC(CC)[C@H]1CNC(=O)O1 83967556 573725595 /nfs/dbraw/zinc/72/55/95/573725595.db2.gz QJKCDNOKAXXRNL-SSDOTTSWSA-N 0 0 157.213 1.531 10 0 ADAERN OCC[C@H]1OCCc2ccsc21 143017844 573724827 /nfs/dbraw/zinc/72/48/27/573724827.db2.gz PEQAPIVFTBNQCZ-MRVPVSSYSA-N 0 0 184.260 1.744 10 0 ADAERN Cc1ccc2c(c1)C(=O)C[C@@H](CO)C2 238495559 573724834 /nfs/dbraw/zinc/72/48/34/573724834.db2.gz LZWOFDHIHOAALB-VIFPVBQESA-N 0 0 190.242 1.732 10 0 ADAERN Cc1ccc2c(c1)C(=O)CCNC2=O 238487538 573728420 /nfs/dbraw/zinc/72/84/20/573728420.db2.gz REAADRGGKAWWEX-UHFFFAOYSA-N 0 0 189.214 1.311 10 0 ADAERN CCSc1ncc(N)o1 257852440 573728429 /nfs/dbraw/zinc/72/84/29/573728429.db2.gz CEZZUEKHTCOXCM-UHFFFAOYSA-N 0 0 144.199 1.369 10 0 ADAERN CC(=O)C12CCC1CC2 238057875 573728442 /nfs/dbraw/zinc/72/84/42/573728442.db2.gz JCWMFZAKSORVRF-UHFFFAOYSA-N 0 0 124.183 1.766 10 0 ADAERN Cc1cccc(NC(N)=S)c1F 75903216 573728446 /nfs/dbraw/zinc/72/84/46/573728446.db2.gz QOLABNNXOCAFGJ-UHFFFAOYSA-N 0 0 184.239 1.790 10 0 ADAERN CC(C)[C@@H]1CCc2[nH]nc(N)c21 108285663 573728449 /nfs/dbraw/zinc/72/84/49/573728449.db2.gz YFUNPSBAHAOWCF-LURJTMIESA-N 0 0 165.240 1.678 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)c1cccnc1 238057742 573728450 /nfs/dbraw/zinc/72/84/50/573728450.db2.gz BGWJLCHPSIMGBG-BMRYVVEKSA-N 0 0 179.219 1.052 10 0 ADAERN C(=C/c1ccc[nH]1)\c1cnon1 143093250 573728462 /nfs/dbraw/zinc/72/84/62/573728462.db2.gz AZOOKSBJRZGKOU-ONEGZZNKSA-N 0 0 161.164 1.568 10 0 ADAERN CCOC(=N)[C@H]1CSCCS1 86985098 573728469 /nfs/dbraw/zinc/72/84/69/573728469.db2.gz DAMVQJUNHZDDSP-ZCFIWIBFSA-N 0 0 191.321 1.849 10 0 ADAERN NOCCc1c(O)ccc2c1CCC2 258106331 573728471 /nfs/dbraw/zinc/72/84/71/573728471.db2.gz PEWQHVQDXIIYMO-UHFFFAOYSA-N 0 0 193.246 1.314 10 0 ADAERN CO[C@H](C)Cc1ccc(CON)cc1 258106221 573727715 /nfs/dbraw/zinc/72/77/15/573727715.db2.gz PDBTYXHXZSBKCN-SECBINFHSA-N 0 0 195.262 1.654 10 0 ADAERN Cc1ccc(CCON)cc1O 258108013 573727742 /nfs/dbraw/zinc/72/77/42/573727742.db2.gz YRPUURJQWQFNAC-UHFFFAOYSA-N 0 0 167.208 1.133 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)c1ccc(C)cc1 238057624 573727747 /nfs/dbraw/zinc/72/77/47/573727747.db2.gz HWKFCYNNVPOXED-QSKOYVBTSA-N 0 0 192.258 1.965 10 0 ADAERN Nc1ncc(COCC(F)F)s1 130903216 573727758 /nfs/dbraw/zinc/72/77/58/573727758.db2.gz UZURPZJFBKHJAT-UHFFFAOYSA-N 0 0 194.206 1.507 10 0 ADAERN C[C@]1(O)CCCC[C@]12CC[C@@H]2C(N)=O 238488325 573727759 /nfs/dbraw/zinc/72/77/59/573727759.db2.gz OHEIJJJPVDPWMZ-DVVUODLYSA-N 0 0 197.278 1.193 10 0 ADAERN C[C@H]1CCCCC[C@]12NC(=O)NC2=O 238488447 573727767 /nfs/dbraw/zinc/72/77/67/573727767.db2.gz DPJUWCDHGQXPPA-XVKPBYJWSA-N 0 0 196.250 1.165 10 0 ADAERN C[C@H]1CCCCC[C@@H]1NC1=NCCO1 238488026 573727775 /nfs/dbraw/zinc/72/77/75/573727775.db2.gz WEDXEZNCSIIUSB-UWVGGRQHSA-N 0 0 196.294 1.931 10 0 ADAERN C[C@H]1CCc2cc(CON)ccc2O1 258108603 573727780 /nfs/dbraw/zinc/72/77/80/573727780.db2.gz PIYFSPZCJNVJOD-QMMMGPOBSA-N 0 0 193.246 1.790 10 0 ADAERN C[C@H]1CCCCC[C@H](O)C(=O)C1 238488235 573727786 /nfs/dbraw/zinc/72/77/86/573727786.db2.gz KOOIFEKCWNPOKC-IUCAKERBSA-N 0 0 170.252 1.907 10 0 ADAERN Cc1ccc(C)n1CC[C@@H](C)O 108286824 573727793 /nfs/dbraw/zinc/72/77/93/573727793.db2.gz KKXFMZZUXUNINB-SNVBAGLBSA-N 0 0 167.252 1.876 10 0 ADAERN OC[C@H]1C[C@@H]1c1ncc(Cl)s1 223347106 573727813 /nfs/dbraw/zinc/72/78/13/573727813.db2.gz TXNLYEIYWSVAOQ-UHNVWZDZSA-N 0 0 189.667 1.892 10 0 ADAERN CC(=O)N1CC[C@H]2[C@H](CCC[C@H]2O)C1 238058136 573727822 /nfs/dbraw/zinc/72/78/22/573727822.db2.gz MSCHRPFNEADAOY-OUAUKWLOSA-N 0 0 197.278 1.016 10 0 ADAERN OC[C@H]1CCC[C@@H]1C(F)(F)F 108286974 573727839 /nfs/dbraw/zinc/72/78/39/573727839.db2.gz HRAPXOYQCITXRS-RITPCOANSA-N 0 0 168.158 1.957 10 0 ADAERN CC[C@H]1CC[C@@]2(CNC(=O)O2)C1 83967365 573727853 /nfs/dbraw/zinc/72/78/53/573727853.db2.gz UCRWARSHDIVIQQ-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN Cc1ccc2c(c1Cl)CNC2=O 238487736 573727889 /nfs/dbraw/zinc/72/78/89/573727889.db2.gz KZVOEBGTWYXCJB-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN CC[C@@H](C)C(=O)[C@@H]1CSCCO1 86985891 573727896 /nfs/dbraw/zinc/72/78/96/573727896.db2.gz XWTOVBDXIMZSJR-SFYZADRCSA-N 0 0 188.292 1.734 10 0 ADAERN Cc1cc(C=O)c(C(=O)CN)cc1F 258106361 573727898 /nfs/dbraw/zinc/72/78/98/573727898.db2.gz PFPBSERHLXDPGC-UHFFFAOYSA-N 0 0 195.193 1.088 10 0 ADAERN COCc1cccc([C@H]2CC(=O)N2)c1 83968860 573727915 /nfs/dbraw/zinc/72/79/15/573727915.db2.gz XUSKUQXJFNEWGO-SNVBAGLBSA-N 0 0 191.230 1.394 10 0 ADAERN Cc1ccc2c(c1)C[C@@](C)(O)C2=O 238488412 573727916 /nfs/dbraw/zinc/72/79/16/573727916.db2.gz RCOLBCBWBHFTMB-LLVKDONJSA-N 0 0 176.215 1.485 10 0 ADAERN C[C@H]1CCC[C@@]2(CNC(=O)O2)C1 83967570 573727919 /nfs/dbraw/zinc/72/79/19/573727919.db2.gz DMSMZBFYSRQVFG-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN CCOC(C)(C)C[C@@H](C)O 144832317 573727936 /nfs/dbraw/zinc/72/79/36/573727936.db2.gz JALWXJSVSFAXSV-SSDOTTSWSA-N 0 0 146.230 1.572 10 0 ADAERN COCc1ccccc1[C@H](C)O 83969177 573727974 /nfs/dbraw/zinc/72/79/74/573727974.db2.gz SIZGGCFLBVMLAI-QMMMGPOBSA-N 0 0 166.220 1.886 10 0 ADAERN OC[C@@H]1C[C@@H]1c1ncc(Cl)s1 223347046 573727993 /nfs/dbraw/zinc/72/79/93/573727993.db2.gz TXNLYEIYWSVAOQ-WHFBIAKZSA-N 0 0 189.667 1.892 10 0 ADAERN Cc1cc(-c2nc(C=O)cs2)no1 143063222 573728007 /nfs/dbraw/zinc/72/80/07/573728007.db2.gz QWQHGSJQBQSCPS-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCCC(=O)[C@@H]1CSCCO1 86985873 573728018 /nfs/dbraw/zinc/72/80/18/573728018.db2.gz YPTRJUOWKFIZKD-QMMMGPOBSA-N 0 0 174.265 1.488 10 0 ADAERN CC(C)[C@H]1C[C@]2(CCO1)CNC(=O)O2 83967400 573728029 /nfs/dbraw/zinc/72/80/29/573728029.db2.gz XWUYKRJPOZXRFZ-PSASIEDQSA-N 0 0 199.250 1.300 10 0 ADAERN C[C@H]1OC(=O)N[C@@H]1c1ccco1 238487663 573728043 /nfs/dbraw/zinc/72/80/43/573728043.db2.gz CZNBXWZODLYILN-VDTYLAMSSA-N 0 0 167.164 1.449 10 0 ADAERN C[C@H]1OC(=O)N[C@@H]1c1ccc(F)cc1 238487605 573728050 /nfs/dbraw/zinc/72/80/50/573728050.db2.gz HNFJNKXFUYOSGY-MUWHJKNJSA-N 0 0 195.193 1.995 10 0 ADAERN CC(=O)Cn1cc(C(C)C)cn1 108285876 573728078 /nfs/dbraw/zinc/72/80/78/573728078.db2.gz FMYXHCMEPKVANH-UHFFFAOYSA-N 0 0 166.224 1.596 10 0 ADAERN C[C@H]1Cc2c(cccc2C2(O)CC2)O1 258108696 573728081 /nfs/dbraw/zinc/72/80/81/573728081.db2.gz PKSIPXXIXGXHHX-QMMMGPOBSA-N 0 0 190.242 1.991 10 0 ADAERN COCc1ccccc1[C@H]1CC(=O)N1 83969337 573728093 /nfs/dbraw/zinc/72/80/93/573728093.db2.gz PGFQJXVJCLCKHX-SNVBAGLBSA-N 0 0 191.230 1.394 10 0 ADAERN Cc1ccccc1[C@@H]1CC(=O)CN1 258107527 573728098 /nfs/dbraw/zinc/72/80/98/573728098.db2.gz OLCAANMMGYCCFV-NSHDSACASA-N 0 0 175.231 1.599 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H]1CSCCO1 86986626 573728121 /nfs/dbraw/zinc/72/81/21/573728121.db2.gz WDBZBWWFPGUXKQ-CIUDSAMLSA-N 0 0 190.308 1.525 10 0 ADAERN C[C@@H]1CC[C@@]2(CNC(=O)O2)[C@H](C)C1 83967587 573728129 /nfs/dbraw/zinc/72/81/29/573728129.db2.gz ISRKQQUQIBFWLM-NQMVMOMDSA-N 0 0 183.251 1.921 10 0 ADAERN C/C=C/[C@H](O)Cc1cccc(C)n1 238056695 573728135 /nfs/dbraw/zinc/72/81/35/573728135.db2.gz BAJPATGXUSQQSU-TZNOJPMFSA-N 0 0 177.247 1.870 10 0 ADAERN COCc1cccc2c1CC[C@@H]2O 83969233 573728143 /nfs/dbraw/zinc/72/81/43/573728143.db2.gz WNARQPQGZHHHLK-NSHDSACASA-N 0 0 178.231 1.813 10 0 ADAERN COC(=N)[C@H]1CSCCS1 86985096 573728145 /nfs/dbraw/zinc/72/81/45/573728145.db2.gz CWCHPSYDNKZWHN-RXMQYKEDSA-N 0 0 177.294 1.459 10 0 ADAERN Cc1cc(O)ccc1-c1cc(N)on1 258108688 573728183 /nfs/dbraw/zinc/72/81/83/573728183.db2.gz PKRFDILQWWOFFZ-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN O[C@H]1OCC[C@@H]1OCc1ccccc1 143095773 573728193 /nfs/dbraw/zinc/72/81/93/573728193.db2.gz NPFVMZQFFFWAKY-QWRGUYRKSA-N 0 0 194.230 1.311 10 0 ADAERN Cc1cnc2[nH]ccc(=O)c2c1 238488257 573728216 /nfs/dbraw/zinc/72/82/16/573728216.db2.gz AGTIZLWHDCOFHD-UHFFFAOYSA-N 0 0 160.176 1.679 10 0 ADAERN C[C@]1(O)CCCC[C@]1(C)CO 238488282 573728243 /nfs/dbraw/zinc/72/82/43/573728243.db2.gz QEWAZEVUOTZLNF-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN C/C=C/[C@H](O)[C@@](C)(O)c1ccccc1 238058283 573728245 /nfs/dbraw/zinc/72/82/45/573728245.db2.gz QGNZEXZMVWDQDU-UEUCCFLYSA-N 0 0 192.258 1.831 10 0 ADAERN COC(=O)[C@@H]1CCc2cc(O)ccc21 144817910 573728251 /nfs/dbraw/zinc/72/82/51/573728251.db2.gz PKVORVMWGPJSIO-SNVBAGLBSA-N 0 0 192.214 1.595 10 0 ADAERN O=Cc1nocc1C1CC1 257852917 573728255 /nfs/dbraw/zinc/72/82/55/573728255.db2.gz SLQKPFVETWBIHZ-UHFFFAOYSA-N 0 0 137.138 1.365 10 0 ADAERN CC(C)[C@@H](O)[C@H]1CSCCO1 86986111 573728280 /nfs/dbraw/zinc/72/82/80/573728280.db2.gz UMBGAKOAPJSOEP-HTQZYQBOSA-N 0 0 176.281 1.135 10 0 ADAERN COc1ccc(F)c(C)c1CCO 258108724 573728301 /nfs/dbraw/zinc/72/83/01/573728301.db2.gz PLNDIIQFOGTAOX-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN O[C@H]1OCC[C@H]1OCc1ccccc1 143096184 573728312 /nfs/dbraw/zinc/72/83/12/573728312.db2.gz NPFVMZQFFFWAKY-MNOVXSKESA-N 0 0 194.230 1.311 10 0 ADAERN CC[C@H](C)C(=O)[C@@H]1CSCCO1 86985892 573728327 /nfs/dbraw/zinc/72/83/27/573728327.db2.gz XWTOVBDXIMZSJR-YUMQZZPRSA-N 0 0 188.292 1.734 10 0 ADAERN C[C@H]1OC(=O)N[C@H]1c1ccco1 238488247 573728341 /nfs/dbraw/zinc/72/83/41/573728341.db2.gz CZNBXWZODLYILN-IYSWYEEDSA-N 0 0 167.164 1.449 10 0 ADAERN Cc1nccc(C(F)F)c1N 238488540 573728348 /nfs/dbraw/zinc/72/83/48/573728348.db2.gz UDYWZXFYDGUYDR-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN C/C=C/[C@H](O)Cc1cc(C)no1 238056666 573728361 /nfs/dbraw/zinc/72/83/61/573728361.db2.gz PBRYGWYPVMGXTM-RTMURIBGSA-N 0 0 167.208 1.463 10 0 ADAERN CC(F)(F)c1cnoc1 257852874 573730371 /nfs/dbraw/zinc/73/03/71/573730371.db2.gz SIMKNBQRBIMREY-UHFFFAOYSA-N 0 0 133.097 1.786 10 0 ADAERN OC1CCC(n2ccnc2)CC1 108285850 573730385 /nfs/dbraw/zinc/73/03/85/573730385.db2.gz BFRIPECZNDHAOZ-UHFFFAOYSA-N 0 0 166.224 1.359 10 0 ADAERN CC(=O)C1(O)SCCCS1 238057259 573730400 /nfs/dbraw/zinc/73/04/00/573730400.db2.gz RYXJJHSEAFTOFO-UHFFFAOYSA-N 0 0 178.278 1.092 10 0 ADAERN OC[C@@H](F)c1ccc(Cl)o1 108285411 573730403 /nfs/dbraw/zinc/73/04/03/573730403.db2.gz IKOORALUONRIPQ-SCSAIBSYSA-N 0 0 164.563 1.936 10 0 ADAERN CC(C)C(=O)[C@@H]1CSCCO1 86985903 573730427 /nfs/dbraw/zinc/73/04/27/573730427.db2.gz LXCBPOBPUCGBGJ-ZETCQYMHSA-N 0 0 174.265 1.344 10 0 ADAERN CCCC(=O)[C@H]1CSCCO1 86985874 573730431 /nfs/dbraw/zinc/73/04/31/573730431.db2.gz YPTRJUOWKFIZKD-MRVPVSSYSA-N 0 0 174.265 1.488 10 0 ADAERN C[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2O1 238488420 573730451 /nfs/dbraw/zinc/73/04/51/573730451.db2.gz PWHILKVZUIQJFE-MRTMQBJTSA-N 0 0 168.236 1.923 10 0 ADAERN C/C=C/[C@H](O)[C@@](C)(O)c1ccncc1 238058371 573730458 /nfs/dbraw/zinc/73/04/58/573730458.db2.gz KMTUTVIDCYRFPZ-SEUFLZDSSA-N 0 0 193.246 1.226 10 0 ADAERN C[C@@]1(Cl)CCCO[C@H]1O 238496461 573730461 /nfs/dbraw/zinc/73/04/61/573730461.db2.gz DEAFSCMNGHUCTO-PHDIDXHHSA-N 0 0 150.605 1.113 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)c1ccccc1 238057682 573730465 /nfs/dbraw/zinc/73/04/65/573730465.db2.gz PPWSYJNJVOLOQY-OPHXLECPSA-N 0 0 178.231 1.657 10 0 ADAERN O[C@H]1CCC[C@H](n2cccc2)C1 108285618 573730483 /nfs/dbraw/zinc/73/04/83/573730483.db2.gz AVTYFCIGYZLVQI-UWVGGRQHSA-N 0 0 165.236 1.964 10 0 ADAERN Cc1ccc2c(c1)CC(=O)NC2=S 238488458 573730514 /nfs/dbraw/zinc/73/05/14/573730514.db2.gz KOIRAWQJJRYKGQ-UHFFFAOYSA-N 0 0 191.255 1.343 10 0 ADAERN Cn1ncnc1C[C@H]1CCCC(=O)C1 83976256 573730561 /nfs/dbraw/zinc/73/05/61/573730561.db2.gz NTCBUKLRURLRLQ-QMMMGPOBSA-N 0 0 193.250 1.117 10 0 ADAERN Cc1[nH]c(=S)nc2c1COCO2 238487984 573730568 /nfs/dbraw/zinc/73/05/68/573730568.db2.gz ITZQHADQWDHCNR-UHFFFAOYSA-N 0 0 184.220 1.314 10 0 ADAERN C[C@H]1CCc2[nH]nc(N)c2C1 75903891 573730574 /nfs/dbraw/zinc/73/05/74/573730574.db2.gz ZLDPXERLGKBQOG-YFKPBYRVSA-N 0 0 151.213 1.117 10 0 ADAERN O=C(c1ccoc1)[C@H]1CSCCO1 86985882 573730580 /nfs/dbraw/zinc/73/05/80/573730580.db2.gz ZHQRTPPXGUWYGD-MRVPVSSYSA-N 0 0 198.243 1.594 10 0 ADAERN O=Cc1c(O)ccc2c1CCC2 108284984 573730587 /nfs/dbraw/zinc/73/05/87/573730587.db2.gz OUBBUDVCXAKBAD-UHFFFAOYSA-N 0 0 162.188 1.693 10 0 ADAERN OCc1cc([C@@H]2CCCS2)on1 258417506 573730595 /nfs/dbraw/zinc/73/05/95/573730595.db2.gz DOBIHOBHNWMGRQ-QMMMGPOBSA-N 0 0 185.248 1.735 10 0 ADAERN CCn1ncnc1Cn1cccc1 83996616 573730613 /nfs/dbraw/zinc/73/06/13/573730613.db2.gz CEWDADSHMZZORA-UHFFFAOYSA-N 0 0 176.223 1.148 10 0 ADAERN OC[C@H](F)c1ccc(Cl)o1 108285413 573730619 /nfs/dbraw/zinc/73/06/19/573730619.db2.gz IKOORALUONRIPQ-BYPYZUCNSA-N 0 0 164.563 1.936 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)/C(C)=C/C 238059154 573730625 /nfs/dbraw/zinc/73/06/25/573730625.db2.gz SMMQPUPNUKVYEC-ZWAIYACTSA-N 0 0 156.225 1.251 10 0 ADAERN Cc1oc(CN)nc1C1CCOCC1 257852677 573730641 /nfs/dbraw/zinc/73/06/41/573730641.db2.gz PJHXSHHLPFZXBP-UHFFFAOYSA-N 0 0 196.250 1.336 10 0 ADAERN CC1=C[C@@H](C)CC2=NCCN[C@@H]12 238488260 573730650 /nfs/dbraw/zinc/73/06/50/573730650.db2.gz RAKDZGKSAPRPNV-XCBNKYQSSA-N 0 0 164.252 1.385 10 0 ADAERN O=C(c1ccco1)[C@@H]1CSCCO1 86985837 573730658 /nfs/dbraw/zinc/73/06/58/573730658.db2.gz HSLTUTRFZQTOCK-QMMMGPOBSA-N 0 0 198.243 1.594 10 0 ADAERN C[C@H]1OC(=O)N[C@@H]1c1nccs1 238487702 573730661 /nfs/dbraw/zinc/73/06/61/573730661.db2.gz NYZAIUBULVFCCN-UHNVWZDZSA-N 0 0 184.220 1.313 10 0 ADAERN COCCC(=O)C[C@H](C)OC 238328767 573730680 /nfs/dbraw/zinc/73/06/80/573730680.db2.gz GVTMQYZJYBSYCO-ZETCQYMHSA-N 0 0 160.213 1.017 10 0 ADAERN Cc1cc(=O)[nH]c(C(F)F)c1N 238487335 573730692 /nfs/dbraw/zinc/73/06/92/573730692.db2.gz CMCISVHMXZCFDA-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CN1c2cccc(F)c2C[C@H]1CCO 258110594 573730694 /nfs/dbraw/zinc/73/06/94/573730694.db2.gz IZNUUICTCUDUQL-MRVPVSSYSA-N 0 0 195.237 1.569 10 0 ADAERN Cc1nn(-c2nccs2)c(N)c1C 124980119 573730705 /nfs/dbraw/zinc/73/07/05/573730705.db2.gz ZTDMCKMSTSSFTJ-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN OCCc1ccc(O)c(C(F)F)c1 258110780 573730711 /nfs/dbraw/zinc/73/07/11/573730711.db2.gz PNMHTWCBUMAJBC-UHFFFAOYSA-N 0 0 188.173 1.865 10 0 ADAERN Cc1cc(=O)[nH]c(N)c1C(F)F 238488038 573730735 /nfs/dbraw/zinc/73/07/35/573730735.db2.gz AVEBDERWYPCNEN-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN O[C@H]1COc2cccc3[nH]cc(c23)C1 197563803 573730738 /nfs/dbraw/zinc/73/07/38/573730738.db2.gz ZRGAVQIEVLUJSX-MRVPVSSYSA-N 0 0 189.214 1.464 10 0 ADAERN Cn1ncnc1CC(=O)C1CCCC1 83973341 573730745 /nfs/dbraw/zinc/73/07/45/573730745.db2.gz ZNUMBSLQFUGFGK-UHFFFAOYSA-N 0 0 193.250 1.117 10 0 ADAERN O=Cc1cc2c(cc1O)COC2 108285214 573730787 /nfs/dbraw/zinc/73/07/87/573730787.db2.gz DGOAWOUYELXMNT-UHFFFAOYSA-N 0 0 164.160 1.235 10 0 ADAERN CC1=NC(=O)NC1C(C)(C)C 258512749 573730797 /nfs/dbraw/zinc/73/07/97/573730797.db2.gz LPIGMSPPKPPFSZ-UHFFFAOYSA-N 0 0 154.213 1.721 10 0 ADAERN COc1ccc(NCO)c(C)c1C 258897548 573730801 /nfs/dbraw/zinc/73/08/01/573730801.db2.gz KHPDUHZHARITOC-UHFFFAOYSA-N 0 0 181.235 1.674 10 0 ADAERN Cc1cc(CO)cc(C(F)F)n1 238488588 573730808 /nfs/dbraw/zinc/73/08/08/573730808.db2.gz WQBLRYNGIOFAQF-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN O[C@H]1CCC[C@@H](n2cccc2)C1 108285613 573730812 /nfs/dbraw/zinc/73/08/12/573730812.db2.gz AVTYFCIGYZLVQI-ZJUUUORDSA-N 0 0 165.236 1.964 10 0 ADAERN CC1(C)C[NH2+][C@H](c2cccc(O)c2)O1 258416352 573730826 /nfs/dbraw/zinc/73/08/26/573730826.db2.gz JAIIOTNKDBHHCE-JTQLQIEISA-N 0 0 193.246 1.789 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CSCCO1 86986196 573730844 /nfs/dbraw/zinc/73/08/44/573730844.db2.gz OATOJBZYJPSZGA-HTQZYQBOSA-N 0 0 190.308 1.525 10 0 ADAERN Cc1cc(CO)c(N)nc1C(F)F 238487769 573730861 /nfs/dbraw/zinc/73/08/61/573730861.db2.gz XZVLCQKLOXOVMK-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN COCCC(=O)[C@@H]1CC=CCC1 238329937 573730864 /nfs/dbraw/zinc/73/08/64/573730864.db2.gz WYHPTCOYFPMSDJ-SECBINFHSA-N 0 0 168.236 1.948 10 0 ADAERN Cc1cnn(C)c1C1=C[C@@H](O)CC1 642833809 573730866 /nfs/dbraw/zinc/73/08/66/573730866.db2.gz FSIUNZBKLNWJKY-VIFPVBQESA-N 0 0 177.227 1.076 10 0 ADAERN CC(C)[C@H](O)[C@H]1CSCCO1 86986110 573730887 /nfs/dbraw/zinc/73/08/87/573730887.db2.gz UMBGAKOAPJSOEP-SFYZADRCSA-N 0 0 176.281 1.135 10 0 ADAERN COc1ccc(CC2(O)CC2)c(O)c1 258110785 573730891 /nfs/dbraw/zinc/73/08/91/573730891.db2.gz PNOANEQZWWBEED-UHFFFAOYSA-N 0 0 194.230 1.468 10 0 ADAERN Cc1cc(CO)c(O)c(C(F)F)n1 238487831 573730921 /nfs/dbraw/zinc/73/09/21/573730921.db2.gz LTFLMQBHLBVZPV-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CCCc1nc([C@H](C)O)co1 258110713 573730924 /nfs/dbraw/zinc/73/09/24/573730924.db2.gz NZMQMPICDNUUJN-LURJTMIESA-N 0 0 155.197 1.680 10 0 ADAERN CCC[C@@H](C)[C@@H](CC)NN 97684448 573730940 /nfs/dbraw/zinc/73/09/40/573730940.db2.gz QNRIVSXKFDYBHS-HTQZYQBOSA-N 0 0 144.262 1.665 10 0 ADAERN CC(=O)CC[C@]1(O)C[C@@H](C)CO1 238488559 573730956 /nfs/dbraw/zinc/73/09/56/573730956.db2.gz XLEFVQRFKJUJPT-VXNVDRBHSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@H]1CN(C)c2cc(O)ccc2N1 258417474 573730957 /nfs/dbraw/zinc/73/09/57/573730957.db2.gz DNTBCHDXRKEQLT-ZETCQYMHSA-N 0 0 178.235 1.642 10 0 ADAERN CCn1ncnc1C[C@@H]1CCCC1=O 83979136 573730968 /nfs/dbraw/zinc/73/09/68/573730968.db2.gz UWHDVDYXWBYCSN-QMMMGPOBSA-N 0 0 193.250 1.210 10 0 ADAERN Cc1nn(C)cc1N[C@H]1COC[C@@H]1C 687965491 573730969 /nfs/dbraw/zinc/73/09/69/573730969.db2.gz MAPJLANKUFZQAR-XVKPBYJWSA-N 0 0 195.266 1.175 10 0 ADAERN Cc1[nH]c(=O)sc1-c1ccnnc1 238487276 573730986 /nfs/dbraw/zinc/73/09/86/573730986.db2.gz AVJKOENVYVRPPU-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN ONCc1ccc(-c2ncc[nH]2)cc1 258111024 573730993 /nfs/dbraw/zinc/73/09/93/573730993.db2.gz PQDOGZVFCNBKMO-UHFFFAOYSA-N 0 0 189.218 1.556 10 0 ADAERN CC[C@H](O)[C@@H](C)N1C(=O)N=NC1=O 642818553 573731000 /nfs/dbraw/zinc/73/10/00/573731000.db2.gz ZDVPLYMACQGBFT-UHNVWZDZSA-N 0 0 185.183 1.154 10 0 ADAERN CCn1ncnc1C[C@H]1CCC[C@@H]1O 83994535 573731026 /nfs/dbraw/zinc/73/10/26/573731026.db2.gz GMXZLDXUQUCIFQ-BDAKNGLRSA-N 0 0 195.266 1.002 10 0 ADAERN Cc1cn(C)c2cccc(CON)c12 258111316 573731027 /nfs/dbraw/zinc/73/10/27/573731027.db2.gz ONPAPPWNVVVWTL-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN CCOC(=N)[C@H]1CSCCO1 86989759 573731042 /nfs/dbraw/zinc/73/10/42/573731042.db2.gz UOKOPGSYSGOBAB-ZCFIWIBFSA-N 0 0 175.253 1.132 10 0 ADAERN [NH3+]Cc1oc2ccccc2c1[O-] 108285054 573731050 /nfs/dbraw/zinc/73/10/50/573731050.db2.gz ZJONIXPQOZOEKX-UHFFFAOYSA-N 0 0 163.176 1.597 10 0 ADAERN Cc1nc(C(F)(F)F)c(N)o1 238487873 573731053 /nfs/dbraw/zinc/73/10/53/573731053.db2.gz PATCPNPIPPXGNR-UHFFFAOYSA-N 0 0 166.102 1.584 10 0 ADAERN C1=CN=c2[nH]c3ccccc3c2=CC1 238051353 573731068 /nfs/dbraw/zinc/73/10/68/573731068.db2.gz JZUIZBUXAAJYQQ-UHFFFAOYSA-N 0 0 182.226 1.485 10 0 ADAERN C[C@H]1CCCCC[C@H]1NC1=NCCO1 238488332 573731100 /nfs/dbraw/zinc/73/11/00/573731100.db2.gz WEDXEZNCSIIUSB-VHSXEESVSA-N 0 0 196.294 1.931 10 0 ADAERN C[C@@H](CO)c1cccc2c1CCN2C 257852068 573731104 /nfs/dbraw/zinc/73/11/04/573731104.db2.gz FFWAXVGIHCTBHY-VIFPVBQESA-N 0 0 191.274 1.775 10 0 ADAERN Cc1cc([C@@H](C)O)cc(O)c1F 258109808 573731115 /nfs/dbraw/zinc/73/11/15/573731115.db2.gz YYJLGAACBNAXRI-ZCFIWIBFSA-N 0 0 170.183 1.893 10 0 ADAERN O=Cc1cccc2oc(=O)[nH]c12 108285047 573731118 /nfs/dbraw/zinc/73/11/18/573731118.db2.gz GDHOIBGKWVTJIU-UHFFFAOYSA-N 0 0 163.132 1.346 10 0 ADAERN CC1=NO[C@@H]2C[C@@H](C)CC(=O)[C@@H]12 238488119 573731122 /nfs/dbraw/zinc/73/11/22/573731122.db2.gz CQLSTNGOHYOISR-LQQYEPNUSA-N 0 0 167.208 1.376 10 0 ADAERN CCOC(=N)c1cn2ccccc2n1 83999329 573734889 /nfs/dbraw/zinc/73/48/89/573734889.db2.gz ZXTXNSPBJYLUNW-UHFFFAOYSA-N 0 0 189.218 1.696 10 0 ADAERN C[C@@H]1CCC[C@@]2(NC(=O)N=C2N)[C@@H]1C 86994893 573734896 /nfs/dbraw/zinc/73/48/96/573734896.db2.gz WIDMVLAROJPTEK-BRDIYROLSA-N 0 0 195.266 1.471 10 0 ADAERN CNC(=O)CCCCc1ccco1 238324644 573734899 /nfs/dbraw/zinc/73/48/99/573734899.db2.gz GNNPPSITXDRELB-UHFFFAOYSA-N 0 0 181.235 1.738 10 0 ADAERN NC1=NC(=O)N[C@@H]1c1ccsc1 87007325 573735692 /nfs/dbraw/zinc/73/56/92/573735692.db2.gz KOBJQBZHSLLALH-RXMQYKEDSA-N 0 0 181.220 1.079 10 0 ADAERN CC[C@]1(O)CCCCC[C@H](O)C1 144707605 573735699 /nfs/dbraw/zinc/73/56/99/573735699.db2.gz WOJCQKYVONPOSP-UWVGGRQHSA-N 0 0 172.268 1.843 10 0 ADAERN NC1=NC(=O)N[C@@H]1[C@H]1CC=CCC1 86994993 573735700 /nfs/dbraw/zinc/73/57/00/573735700.db2.gz CGFQTAIDDMGTBB-NKWVEPMBSA-N 0 0 179.223 1.001 10 0 ADAERN OCc1c[nH]c2c(O)cccc12 257853053 573735707 /nfs/dbraw/zinc/73/57/07/573735707.db2.gz CGUYRXXLLJZBFT-UHFFFAOYSA-N 0 0 163.176 1.366 10 0 ADAERN CC1(C)CCCC[C@]12NC(=O)N=C2N 86994377 573735708 /nfs/dbraw/zinc/73/57/08/573735708.db2.gz JEICREZATNDOLJ-SNVBAGLBSA-N 0 0 195.266 1.615 10 0 ADAERN Cc1ccccc1[C@@H](O)c1cc[nH]n1 238489487 573735720 /nfs/dbraw/zinc/73/57/20/573735720.db2.gz ANMONZCJDPPZEI-LLVKDONJSA-N 0 0 188.230 1.800 10 0 ADAERN CC[C@@H](C)[C@@]1(C)NC(=O)N=C1N 87007134 573734920 /nfs/dbraw/zinc/73/49/20/573734920.db2.gz IOEMRFKNLVOXAT-SVGQVSJJSA-N 0 0 169.228 1.081 10 0 ADAERN CC(C)CC[C@]1(C)NC(=O)N=C1N 87007063 573734926 /nfs/dbraw/zinc/73/49/26/573734926.db2.gz ZEAJLMGFPDXLJT-VIFPVBQESA-N 0 0 183.255 1.471 10 0 ADAERN CC[C@@]1(C)CC(=O)NCCS1 144783239 573734927 /nfs/dbraw/zinc/73/49/27/573734927.db2.gz LYWQBMCBBXDFAV-QMMMGPOBSA-N 0 0 173.281 1.408 10 0 ADAERN CCC[C@H](C)[C@H](CC)NN 97684451 573734932 /nfs/dbraw/zinc/73/49/32/573734932.db2.gz QNRIVSXKFDYBHS-YUMQZZPRSA-N 0 0 144.262 1.665 10 0 ADAERN CN1C(=O)N=C(N)[C@H]1[C@H]1CC=CCC1 87009044 573734933 /nfs/dbraw/zinc/73/49/33/573734933.db2.gz UGOSUEHZHHXDIL-JGVFFNPUSA-N 0 0 193.250 1.344 10 0 ADAERN CC(C)[C@@H]1CCC[C@H](O)[C@H](O)C1 144710729 573734977 /nfs/dbraw/zinc/73/49/77/573734977.db2.gz RBCZZZFIQVUPJA-KXUCPTDWSA-N 0 0 172.268 1.554 10 0 ADAERN CC1(C)CCC[C@]12NC(=O)N=C2N 86994450 573734996 /nfs/dbraw/zinc/73/49/96/573734996.db2.gz SNPQSMMKGWKETD-SECBINFHSA-N 0 0 181.239 1.225 10 0 ADAERN CCOC(=O)[C@@H](F)c1ccccc1O 257858488 573734999 /nfs/dbraw/zinc/73/49/99/573734999.db2.gz QKYAMOPFJYOUQW-VIFPVBQESA-N 0 0 198.193 1.966 10 0 ADAERN Cc1ccc([C@H]2NC(=O)N=C2N)s1 87007329 573735019 /nfs/dbraw/zinc/73/50/19/573735019.db2.gz FAXKBIKDKPISLR-ZCFIWIBFSA-N 0 0 195.247 1.178 10 0 ADAERN Cc1c(F)ccc(C(N)=O)c1F 75915049 573735024 /nfs/dbraw/zinc/73/50/24/573735024.db2.gz LKOCIMHPUZKGPH-UHFFFAOYSA-N 0 0 171.146 1.372 10 0 ADAERN O[C@@H]1COc2cccc3[nH]cc(c23)C1 197563812 573735029 /nfs/dbraw/zinc/73/50/29/573735029.db2.gz ZRGAVQIEVLUJSX-QMMMGPOBSA-N 0 0 189.214 1.464 10 0 ADAERN Cc1ccc([C@@H]2NC(=O)N=C2N)cc1 86994506 573735040 /nfs/dbraw/zinc/73/50/40/573735040.db2.gz GWQCSIXFXKTKBO-QMMMGPOBSA-N 0 0 189.218 1.326 10 0 ADAERN CC[C@@H](CC1CC1)N1CN[C@H](C)C1=O 126896332 573735045 /nfs/dbraw/zinc/73/50/45/573735045.db2.gz CBNHQMSHMIMMQB-SCZZXKLOSA-N 0 0 196.294 1.343 10 0 ADAERN CCC[C@H](C)[C@H]1NC(=O)N=C1N 87007345 573735048 /nfs/dbraw/zinc/73/50/48/573735048.db2.gz BHXTYNVWPVOEIR-NTSWFWBYSA-N 0 0 169.228 1.081 10 0 ADAERN CC[C@H]1CC[C@@]2(C1)NC(=O)N=C2N 86994614 573735054 /nfs/dbraw/zinc/73/50/54/573735054.db2.gz QKWQOQGMQMHKBC-RCOVLWMOSA-N 0 0 181.239 1.225 10 0 ADAERN NC1=NC(=O)N[C@@H]1C1CCCCCC1 87007604 573735061 /nfs/dbraw/zinc/73/50/61/573735061.db2.gz FVWJBDXCQBJTCI-MRVPVSSYSA-N 0 0 195.266 1.615 10 0 ADAERN C[C@@H](O)C[C@@H](CCO)c1ccccc1 78591637 573735069 /nfs/dbraw/zinc/73/50/69/573735069.db2.gz IVBVNVIJBRTZIH-ZYHUDNBSSA-N 0 0 194.274 1.924 10 0 ADAERN C[C@H]1CCCC[C@@]12NC(=O)N=C2N 87007181 573735070 /nfs/dbraw/zinc/73/50/70/573735070.db2.gz JHCJVNZAVJBIIW-IMTBSYHQSA-N 0 0 181.239 1.225 10 0 ADAERN COC(=O)[C@@H](CC(C)(C)C)[C@H](C)O 393558196 573735086 /nfs/dbraw/zinc/73/50/86/573735086.db2.gz ZLQOUQPENOEPFF-YUMQZZPRSA-N 0 0 188.267 1.593 10 0 ADAERN C[C@H]1C[C@H](C)CC2(C1)NC(=O)N=C2N 87007108 573735091 /nfs/dbraw/zinc/73/50/91/573735091.db2.gz FVGNMMNVOWVUDT-BQBZGAKWSA-N 0 0 195.266 1.471 10 0 ADAERN C[C@@H](CC[N@H+](C)CC1CCC1)C(=O)[O-] 258895604 573735095 /nfs/dbraw/zinc/73/50/95/573735095.db2.gz NOQDNMPNWGHCHE-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CC1=C[C@](C)(CO)C=CC1 224629246 573735098 /nfs/dbraw/zinc/73/50/98/573735098.db2.gz AAGDZVVLAWTVEE-SECBINFHSA-N 0 0 138.210 1.891 10 0 ADAERN C[C@@]1(C2CC2)C(N)=NC(=O)N1C1CC1 87007637 573735099 /nfs/dbraw/zinc/73/50/99/573735099.db2.gz SFTJKUBSMATDJJ-SNVBAGLBSA-N 0 0 193.250 1.320 10 0 ADAERN CC(=O)C1=N[C@@H](C)CS1 238489998 573735120 /nfs/dbraw/zinc/73/51/20/573735120.db2.gz UAKCDLQXYDJZEE-BYPYZUCNSA-N 0 0 143.211 1.109 10 0 ADAERN C[C@@H](CO)c1cc(O)c2c(c1)OCO2 258113346 573735138 /nfs/dbraw/zinc/73/51/38/573735138.db2.gz PULSJESVEDOLKQ-LURJTMIESA-N 0 0 196.202 1.217 10 0 ADAERN CC[C@@]1(C(C)C)NC(=O)N=C1N 87007318 573735142 /nfs/dbraw/zinc/73/51/42/573735142.db2.gz KCCJHYBIOVWGQF-QMMMGPOBSA-N 0 0 169.228 1.081 10 0 ADAERN C[C@@H]1CCCC[C@@]12NC(=O)N=C2N 87007180 573735158 /nfs/dbraw/zinc/73/51/58/573735158.db2.gz JHCJVNZAVJBIIW-HZGVNTEJSA-N 0 0 181.239 1.225 10 0 ADAERN Cc1cc(CO)cc(O)c1C 238489052 573735159 /nfs/dbraw/zinc/73/51/59/573735159.db2.gz FISXGWGZVJDYQX-UHFFFAOYSA-N 0 0 152.193 1.501 10 0 ADAERN C[C@H]1CC=C2NC(=O)CC[C@H]2C1 238488960 573735167 /nfs/dbraw/zinc/73/51/67/573735167.db2.gz QOLSDUQQCUMEHY-YUMQZZPRSA-N 0 0 165.236 1.826 10 0 ADAERN C[C@@H](O)[C@H]1Cc2c(O)cccc2S1 258113894 573735195 /nfs/dbraw/zinc/73/51/95/573735195.db2.gz JFGXQARQNOHLDJ-LHLIQPBNSA-N 0 0 196.271 1.790 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](c2ccccc2F)[NH2+]1 257853202 573735235 /nfs/dbraw/zinc/73/52/35/573735235.db2.gz PLEWPCVHMFZPSV-IUCAKERBSA-N 0 0 195.193 1.313 10 0 ADAERN CC(=O)[C@]1(C)CC[C@H](C)C[C@@H]1O 238489638 573735239 /nfs/dbraw/zinc/73/52/39/573735239.db2.gz VNWBVDQGCGSJJU-HGNGGELXSA-N 0 0 170.252 1.763 10 0 ADAERN CCCN1C(=O)N=C(N)[C@@H]1C(C)(C)C 87008506 573735242 /nfs/dbraw/zinc/73/52/42/573735242.db2.gz RNPKEUZZLHGKOR-SSDOTTSWSA-N 0 0 197.282 1.814 10 0 ADAERN CC[C@@H]1CC[C@@]2(C1)C(N)=NC(=O)N2C 87008866 573735257 /nfs/dbraw/zinc/73/52/57/573735257.db2.gz RMXKJCSXBDRFAQ-GMSGAONNSA-N 0 0 195.266 1.568 10 0 ADAERN CSc1nc(N)cc2cc(C)nn12 258114803 573735264 /nfs/dbraw/zinc/73/52/64/573735264.db2.gz ZHYVOBVRYXJIGR-UHFFFAOYSA-N 0 0 194.263 1.342 10 0 ADAERN OCCN1CCCc2cc(O)ccc21 144734108 573735265 /nfs/dbraw/zinc/73/52/65/573735265.db2.gz AGKDRSWYKJJEFJ-UHFFFAOYSA-N 0 0 193.246 1.137 10 0 ADAERN CC[C@]1(C(C)C)NC(=O)N=C1N 87007322 573735266 /nfs/dbraw/zinc/73/52/66/573735266.db2.gz KCCJHYBIOVWGQF-MRVPVSSYSA-N 0 0 169.228 1.081 10 0 ADAERN CC(=O)c1ncnc2cc(F)ccc12 257854056 573735273 /nfs/dbraw/zinc/73/52/73/573735273.db2.gz PNGSOQTXMNTDBL-UHFFFAOYSA-N 0 0 190.177 1.972 10 0 ADAERN C[C@H]1CCC[C@]12C(N)=NC(=O)N2C 87008770 573735278 /nfs/dbraw/zinc/73/52/78/573735278.db2.gz QRXNGLVYKHAZOI-IMTBSYHQSA-N 0 0 181.239 1.177 10 0 ADAERN CC[C@H](C)[C@@H]1C(N)=NC(=O)N1C 87008840 573735297 /nfs/dbraw/zinc/73/52/97/573735297.db2.gz PWKLLRHPHUUWEC-NTSWFWBYSA-N 0 0 169.228 1.033 10 0 ADAERN O=C1CCc2ccc3c(c21)[C@H](O)CC3 224625918 573735314 /nfs/dbraw/zinc/73/53/14/573735314.db2.gz OGCHUHIHPCIOGI-SECBINFHSA-N 0 0 188.226 1.795 10 0 ADAERN CC[C@](C)(O)CNc1cncc(N)c1 122394473 573735323 /nfs/dbraw/zinc/73/53/23/573735323.db2.gz DNXFFPDMZDDYQX-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN Cc1cccc2c1NCCN2CCO 258114483 573735327 /nfs/dbraw/zinc/73/53/27/573735327.db2.gz KZFNCFHFDZEFMV-UHFFFAOYSA-N 0 0 192.262 1.219 10 0 ADAERN C[C@H]1CC=C2NC(=O)CC[C@@H]2C1 238488936 573735330 /nfs/dbraw/zinc/73/53/30/573735330.db2.gz QOLSDUQQCUMEHY-JGVFFNPUSA-N 0 0 165.236 1.826 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H](CC2CC2)NN)O1 97740721 573735338 /nfs/dbraw/zinc/73/53/38/573735338.db2.gz FGWXCKLWYHENKN-QNSHHTMESA-N 0 0 184.283 1.186 10 0 ADAERN C[C@H](O)c1ccc2c(c1O)CCC2 258114934 573735349 /nfs/dbraw/zinc/73/53/49/573735349.db2.gz ZJWSAVYPJJRWKU-ZETCQYMHSA-N 0 0 178.231 1.934 10 0 ADAERN C[C@@H]1CC[C@@]2(NC(=O)N=C2N)[C@H](C)C1 86994880 573735350 /nfs/dbraw/zinc/73/53/50/573735350.db2.gz XMIBADCLBKBXCS-BRDIYROLSA-N 0 0 195.266 1.471 10 0 ADAERN Cc1cnc2[nH]nc(N)c2c1C 238489597 573735354 /nfs/dbraw/zinc/73/53/54/573735354.db2.gz LRRWYHBXBMIKPW-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN CC(C)(C)[C@@H]1C(N)=NC(=O)N1C1CC1 87008097 573735404 /nfs/dbraw/zinc/73/54/04/573735404.db2.gz BFJSCYIPZNBNHD-ZETCQYMHSA-N 0 0 195.266 1.566 10 0 ADAERN Cc1cc(C)c([C@@H](F)CO)cn1 108287890 573735408 /nfs/dbraw/zinc/73/54/08/573735408.db2.gz BXYQNEHHLUJXKC-VIFPVBQESA-N 0 0 169.199 1.701 10 0 ADAERN CC(C)CN1C(=O)N=C(N)C1(C)C 87008578 573735412 /nfs/dbraw/zinc/73/54/12/573735412.db2.gz XFEFDVPHLXGKDN-UHFFFAOYSA-N 0 0 183.255 1.423 10 0 ADAERN C[C@]1(O)CCC[C@](C)(CO)C1 238489418 573735418 /nfs/dbraw/zinc/73/54/18/573735418.db2.gz BEXZCSMZQJFHBN-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN CO[C@@](C)(CCO)c1ccc(O)cc1 257853340 573735423 /nfs/dbraw/zinc/73/54/23/573735423.db2.gz PMBVFBRACOXTGP-NSHDSACASA-N 0 0 196.246 1.636 10 0 ADAERN COc1cccc([C@H](F)CO)c1 108288685 573735430 /nfs/dbraw/zinc/73/54/30/573735430.db2.gz NGABXBGEKUCBRL-SECBINFHSA-N 0 0 170.183 1.698 10 0 ADAERN CC(C)C1C[C@@H](O)CCC[C@H](O)C1 144712272 573735449 /nfs/dbraw/zinc/73/54/49/573735449.db2.gz UFNLEKITUZYLQK-QWRGUYRKSA-N 0 0 186.295 1.945 10 0 ADAERN CC[C@@H](C)[C@H]1C(N)=NC(=O)N1C 87008842 573735453 /nfs/dbraw/zinc/73/54/53/573735453.db2.gz PWKLLRHPHUUWEC-RITPCOANSA-N 0 0 169.228 1.033 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@H]2NC(=O)N=C2N)C1 86995184 573735458 /nfs/dbraw/zinc/73/54/58/573735458.db2.gz NYCWCGMQAAHZJT-BWZBUEFSSA-N 0 0 195.266 1.471 10 0 ADAERN COc1nccc2cc(CO)ccc12 258113417 573735464 /nfs/dbraw/zinc/73/54/64/573735464.db2.gz PWSUTWUDEFZRHQ-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN CC(C)CN1C(=O)N=C(N)[C@H]1C 87008560 573735480 /nfs/dbraw/zinc/73/54/80/573735480.db2.gz XYIKTIGMSNIEGK-ZCFIWIBFSA-N 0 0 169.228 1.033 10 0 ADAERN Nc1c(C2CCCCC2)cn[nH]c1=O 257860033 573735488 /nfs/dbraw/zinc/73/54/88/573735488.db2.gz BGQKNRDGKLJHRH-UHFFFAOYSA-N 0 0 193.250 1.812 10 0 ADAERN CCC(=O)[C@@H](O)c1ccccc1OC 258895100 573735495 /nfs/dbraw/zinc/73/54/95/573735495.db2.gz UMTFIHOTHJSWLQ-NSHDSACASA-N 0 0 194.230 1.708 10 0 ADAERN CCn1ncnc1C[C@@H]1CCC(=O)C1 83996780 573735498 /nfs/dbraw/zinc/73/54/98/573735498.db2.gz YWCNLGOSRYPVCQ-MRVPVSSYSA-N 0 0 193.250 1.210 10 0 ADAERN C[C@H](O)Cc1c(O)cc(F)cc1F 258113484 573735505 /nfs/dbraw/zinc/73/55/05/573735505.db2.gz PYIBHZHDTHCLIJ-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN C[C@@]1(CO)Cc2ccccc21 238489957 573735510 /nfs/dbraw/zinc/73/55/10/573735510.db2.gz YFGAUNIZHARZNO-JTQLQIEISA-N 0 0 148.205 1.493 10 0 ADAERN CCc1c2c(C=O)cccc2nn1C 257853443 573735514 /nfs/dbraw/zinc/73/55/14/573735514.db2.gz PMTSHLSVPPSFIF-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN CN1C(=O)N=C(N)[C@@H]1[C@H]1CC=CCC1 87009046 573735522 /nfs/dbraw/zinc/73/55/22/573735522.db2.gz UGOSUEHZHHXDIL-YUMQZZPRSA-N 0 0 193.250 1.344 10 0 ADAERN COC(=N)c1cn2ccccc2n1 83999327 573735525 /nfs/dbraw/zinc/73/55/25/573735525.db2.gz XDPSZPWOYAMTLN-UHFFFAOYSA-N 0 0 175.191 1.306 10 0 ADAERN Cc1ccc([C@H]2CONC(=O)O2)cc1 257858506 573735540 /nfs/dbraw/zinc/73/55/40/573735540.db2.gz QLISISPVJONAJX-SECBINFHSA-N 0 0 193.202 1.708 10 0 ADAERN NC1=NC(=O)N[C@@H]1c1ccccc1F 86994513 573735541 /nfs/dbraw/zinc/73/55/41/573735541.db2.gz CXDOVYAXTMMXST-SSDOTTSWSA-N 0 0 193.181 1.157 10 0 ADAERN NCc1nc(-c2ccc(O)cc2)co1 257859983 573735549 /nfs/dbraw/zinc/73/55/49/573735549.db2.gz QUKWARAQGXYPAY-UHFFFAOYSA-N 0 0 190.202 1.506 10 0 ADAERN C[C@@H](O)C[C@H](CCO)c1ccccc1 78591642 573735564 /nfs/dbraw/zinc/73/55/64/573735564.db2.gz IVBVNVIJBRTZIH-PWSUYJOCSA-N 0 0 194.274 1.924 10 0 ADAERN CCC[C@@H](C)[C@H]1NC(=O)N=C1N 87007342 573735570 /nfs/dbraw/zinc/73/55/70/573735570.db2.gz BHXTYNVWPVOEIR-PHDIDXHHSA-N 0 0 169.228 1.081 10 0 ADAERN CCCN1C(=O)N=C(N)[C@@]1(C)CC 87008125 573735592 /nfs/dbraw/zinc/73/55/92/573735592.db2.gz MDSNNWSAISCQOU-SECBINFHSA-N 0 0 183.255 1.568 10 0 ADAERN CCCC[C@H]1C(N)=NC(=O)N1C 87009034 573735597 /nfs/dbraw/zinc/73/55/97/573735597.db2.gz MORXEINNIIHWHI-LURJTMIESA-N 0 0 169.228 1.177 10 0 ADAERN O=C([O-])[C@H]1C[C@H](c2ccccc2F)[NH2+]1 257853204 573735601 /nfs/dbraw/zinc/73/56/01/573735601.db2.gz PLEWPCVHMFZPSV-RKDXNWHRSA-N 0 0 195.193 1.313 10 0 ADAERN CCCC[C@@]1(CC)NC(=O)N=C1N 86995079 573735623 /nfs/dbraw/zinc/73/56/23/573735623.db2.gz YPSJSKZMERHWOO-SECBINFHSA-N 0 0 183.255 1.615 10 0 ADAERN CC[C@H]1CC[C@]2(C1)NC(=O)N=C2N 86994605 573735643 /nfs/dbraw/zinc/73/56/43/573735643.db2.gz QKWQOQGMQMHKBC-IMTBSYHQSA-N 0 0 181.239 1.225 10 0 ADAERN Cc1cc(Cl)cc(C(N)=O)c1F 75915023 573735650 /nfs/dbraw/zinc/73/56/50/573735650.db2.gz CRBPTRXXCHGPDO-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN NC1=NC(=O)N(C2CC2)C12CCCC2 87007677 573735669 /nfs/dbraw/zinc/73/56/69/573735669.db2.gz HOUBBSBQWOCLBT-UHFFFAOYSA-N 0 0 193.250 1.464 10 0 ADAERN CCCN1C(=O)N=C(N)[C@@H]1CC 87008119 573735678 /nfs/dbraw/zinc/73/56/78/573735678.db2.gz GDJDDLOCZILYHN-LURJTMIESA-N 0 0 169.228 1.177 10 0 ADAERN CCc1cc(CCON)c(C)cc1O 258113429 573736701 /nfs/dbraw/zinc/73/67/01/573736701.db2.gz PWZNDUQGRGWXGQ-UHFFFAOYSA-N 0 0 195.262 1.696 10 0 ADAERN Cc1ccc(O[C@@H]2CC(=O)N2)cc1 238489302 573736704 /nfs/dbraw/zinc/73/67/04/573736704.db2.gz QXKHWTBBZCUKJQ-SNVBAGLBSA-N 0 0 177.203 1.220 10 0 ADAERN CCCNN1CCCCC1 79083506 573736715 /nfs/dbraw/zinc/73/67/15/573736715.db2.gz KSDFSCHZUIUUSP-UHFFFAOYSA-N 0 0 142.246 1.387 10 0 ADAERN C[C@H]1CSC(=S)NC1=S 238489907 573736719 /nfs/dbraw/zinc/73/67/19/573736719.db2.gz OMQLNMQJPDUTLL-VKHMYHEASA-N 0 0 177.319 1.571 10 0 ADAERN Cc1c(F)ccc2c1CCOC2=O 238489344 573736036 /nfs/dbraw/zinc/73/60/36/573736036.db2.gz BRVQWKUKARJAAQ-UHFFFAOYSA-N 0 0 180.178 1.847 10 0 ADAERN OCc1cc2cccc3c2n1CCO3 258112991 573736048 /nfs/dbraw/zinc/73/60/48/573736048.db2.gz ZFYHUPCVPCZPIK-UHFFFAOYSA-N 0 0 189.214 1.526 10 0 ADAERN COC(=O)C=CN[C@@H]1CC[C@H](C)[C@@H]1C 308429834 573736049 /nfs/dbraw/zinc/73/60/49/573736049.db2.gz CCKKQVBAEHMBQV-QYASXOKYSA-N 0 0 197.278 1.697 10 0 ADAERN CN1C(=O)N=C(N)[C@@H]1C1CCCCC1 87008961 573736053 /nfs/dbraw/zinc/73/60/53/573736053.db2.gz OVQRIZGEOJKZNP-QMMMGPOBSA-N 0 0 195.266 1.568 10 0 ADAERN CCC1CCC2(CC1)NC(=O)N=C2N 86994777 573736064 /nfs/dbraw/zinc/73/60/64/573736064.db2.gz INIACFCYXMMQSG-UHFFFAOYSA-N 0 0 195.266 1.615 10 0 ADAERN NC(=S)Cc1cc(N)ccc1F 75932149 573736067 /nfs/dbraw/zinc/73/60/67/573736067.db2.gz FXYFZBPBKHBMCZ-UHFFFAOYSA-N 0 0 184.239 1.237 10 0 ADAERN C[C@H]1COc2c(C=O)cccc21 238488947 573736725 /nfs/dbraw/zinc/73/67/25/573736725.db2.gz HLUKTLHFOSMAAI-ZETCQYMHSA-N 0 0 162.188 1.995 10 0 ADAERN CC1(C)CCCC[C@@]12NC(=O)N=C2N 86994380 573736075 /nfs/dbraw/zinc/73/60/75/573736075.db2.gz JEICREZATNDOLJ-JTQLQIEISA-N 0 0 195.266 1.615 10 0 ADAERN Cc1ccc2c(c1N)C(=O)CC2 238489688 573736084 /nfs/dbraw/zinc/73/60/84/573736084.db2.gz PTTYHKGTZMLBNY-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN CC(C)(C)c1nc2n(n1)[C@@H](O)CCC2 258112928 573736107 /nfs/dbraw/zinc/73/61/07/573736107.db2.gz CFZNXCPSKYVDDR-QMMMGPOBSA-N 0 0 195.266 1.403 10 0 ADAERN Nc1ccc(O)cc1C[C@@H]1CCCO1 257853305 573736144 /nfs/dbraw/zinc/73/61/44/573736144.db2.gz PLZQAERNKRAGPO-JTQLQIEISA-N 0 0 193.246 1.696 10 0 ADAERN Cc1c(F)ccc2c1[C@H]([NH3+])CCO2 238489735 573736157 /nfs/dbraw/zinc/73/61/57/573736157.db2.gz CMUOATXEJQTVHX-MRVPVSSYSA-N 0 0 181.210 1.916 10 0 ADAERN CSc1nc(N)nc([C@H](C)F)n1 144705448 573736166 /nfs/dbraw/zinc/73/61/66/573736166.db2.gz RHLVGNFSTAXUSV-VKHMYHEASA-N 0 0 188.231 1.206 10 0 ADAERN CC[C@H]1[C@@H](C(=O)[O-])CCC[N@@H+]1CC 144702031 573736216 /nfs/dbraw/zinc/73/62/16/573736216.db2.gz KBDRSMYNLRGSQS-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN O=C1OCCCN1c1ccccc1O 257860015 573736217 /nfs/dbraw/zinc/73/62/17/573736217.db2.gz QVHMNALKQBDUMG-UHFFFAOYSA-N 0 0 193.202 1.739 10 0 ADAERN O=C1NOC[C@@H](c2ccccc2F)O1 257853466 573736237 /nfs/dbraw/zinc/73/62/37/573736237.db2.gz PMWHAEUJDDTROI-QMMMGPOBSA-N 0 0 197.165 1.538 10 0 ADAERN Cc1nc2c(C=O)cccc2c(=O)o1 238489105 573736271 /nfs/dbraw/zinc/73/62/71/573736271.db2.gz KSVGRACCYBCJAO-UHFFFAOYSA-N 0 0 189.170 1.309 10 0 ADAERN CC(C)(CO)NSC(F)(F)F 144780858 573736284 /nfs/dbraw/zinc/73/62/84/573736284.db2.gz WJXLLAOFZIPXIG-UHFFFAOYSA-N 0 0 189.202 1.515 10 0 ADAERN COC[C@]1(C)OC(C)(C)CC1=O 144713322 573736317 /nfs/dbraw/zinc/73/63/17/573736317.db2.gz LCGFAJHAZMTLFP-VIFPVBQESA-N 0 0 172.224 1.160 10 0 ADAERN O=C1COc2ccc(Cl)cc2OC1 258114699 573736328 /nfs/dbraw/zinc/73/63/28/573736328.db2.gz ZGBVYTXSWWROGJ-UHFFFAOYSA-N 0 0 198.605 1.680 10 0 ADAERN CC(C)(C)[N@@H+]1C[C@H](C(=O)[O-])CC12CC2 257853077 573736329 /nfs/dbraw/zinc/73/63/29/573736329.db2.gz PKCKSNBUMQOZSS-MRVPVSSYSA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@H](O)c1cn2ccccc2n1 83999376 573736334 /nfs/dbraw/zinc/73/63/34/573736334.db2.gz AZUTVMXMQCDZNY-VIFPVBQESA-N 0 0 176.219 1.778 10 0 ADAERN Cc1ccc([C@@H]2CONC(=O)O2)cc1 257858509 573736355 /nfs/dbraw/zinc/73/63/55/573736355.db2.gz QLISISPVJONAJX-VIFPVBQESA-N 0 0 193.202 1.708 10 0 ADAERN C[C@@]1(CO)COc2ccccc2S1 238489657 573736363 /nfs/dbraw/zinc/73/63/63/573736363.db2.gz RXXUTGKTACPISJ-SNVBAGLBSA-N 0 0 196.271 1.922 10 0 ADAERN Cc1ncncc1Br 238051810 573736396 /nfs/dbraw/zinc/73/63/96/573736396.db2.gz JJSUVNJHOHJBQI-UHFFFAOYSA-N 0 0 173.013 1.368 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1CC(C)(C)OC 308694675 573736401 /nfs/dbraw/zinc/73/64/01/573736401.db2.gz SMSRNQRCCQQTOC-LDYMZIIASA-N 0 0 199.294 1.716 10 0 ADAERN Nc1n[nH]c2nc3ccncc3cc12 144777357 573736403 /nfs/dbraw/zinc/73/64/03/573736403.db2.gz WCXKKDYKOIGECC-UHFFFAOYSA-N 0 0 185.190 1.088 10 0 ADAERN C/C(=C\C[NH2+][C@@H]1CC[C@H](C)C1)C(=O)[O-] 308430297 573736413 /nfs/dbraw/zinc/73/64/13/573736413.db2.gz CDLGPKLXFVWJHS-UHHLUOIISA-N 0 0 197.278 1.796 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](c2ccccc2F)[NH2+]1 257853198 573736422 /nfs/dbraw/zinc/73/64/22/573736422.db2.gz PLEWPCVHMFZPSV-DTWKUNHWSA-N 0 0 195.193 1.313 10 0 ADAERN C[NH+](C)Cc1ccc(F)c(C(=O)[O-])c1 75927754 573736425 /nfs/dbraw/zinc/73/64/25/573736425.db2.gz GDSQBFWCBQNIEK-UHFFFAOYSA-N 0 0 197.209 1.586 10 0 ADAERN Cc1cc(CCO)c(F)cc1O 258112954 573736430 /nfs/dbraw/zinc/73/64/30/573736430.db2.gz ZFFNPQVZDTTZCS-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN CCC[C@@H](C)Cn1ncnc1CO 84000737 573736443 /nfs/dbraw/zinc/73/64/43/573736443.db2.gz IDJOQWHVZFBSCQ-MRVPVSSYSA-N 0 0 183.255 1.207 10 0 ADAERN OCc1ncnn1C1CCCCC1 84000720 573736460 /nfs/dbraw/zinc/73/64/60/573736460.db2.gz GGQBGUFHVOOIGK-UHFFFAOYSA-N 0 0 181.239 1.276 10 0 ADAERN C[C@@]1(CCCO)CCC[C@@H]1O 238489990 573736511 /nfs/dbraw/zinc/73/65/11/573736511.db2.gz SIOSQWRANFCVIW-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN OCCn1cnc2ccc(F)c(F)c21 75935135 573736523 /nfs/dbraw/zinc/73/65/23/573736523.db2.gz MXZKEULCPQUUFK-UHFFFAOYSA-N 0 0 198.172 1.307 10 0 ADAERN CC(=O)C/C(C)=C(\C)OC(C)=O 213575879 573736555 /nfs/dbraw/zinc/73/65/55/573736555.db2.gz JPUNFUJCPUKNHZ-SOFGYWHQSA-N 0 0 170.208 1.823 10 0 ADAERN O=C1C[C@H](c2cccc(Cl)c2)ON1 257853293 573736566 /nfs/dbraw/zinc/73/65/66/573736566.db2.gz PLXXEMUXVIKUHR-MRVPVSSYSA-N 0 0 197.621 1.833 10 0 ADAERN CC[C@H](C)[C@@H]1C(N)=NC(=O)N1CC 87009664 573736577 /nfs/dbraw/zinc/73/65/77/573736577.db2.gz DWWFVQIIYPTANG-NKWVEPMBSA-N 0 0 183.255 1.423 10 0 ADAERN NC(=O)[C@@H](O)c1cccc(C2CC2)c1 87012991 573736601 /nfs/dbraw/zinc/73/66/01/573736601.db2.gz IXLWUKAEHSRZSE-JTQLQIEISA-N 0 0 191.230 1.083 10 0 ADAERN CCN1C(=O)N=C(N)[C@@H]1CC(C)C 87009891 573736607 /nfs/dbraw/zinc/73/66/07/573736607.db2.gz IBGPSSBWWVGVND-ZETCQYMHSA-N 0 0 183.255 1.423 10 0 ADAERN CC[C@@H](C)[C@]1(C)C(N)=NC(=O)N1CC 87009969 573736616 /nfs/dbraw/zinc/73/66/16/573736616.db2.gz ZVHSKONRQYHOHJ-GMSGAONNSA-N 0 0 197.282 1.814 10 0 ADAERN CCn1ncnc1C[C@H]1CCC(=O)C1 83996783 573736619 /nfs/dbraw/zinc/73/66/19/573736619.db2.gz YWCNLGOSRYPVCQ-QMMMGPOBSA-N 0 0 193.250 1.210 10 0 ADAERN C[C@H]1CSC(Br)=N1 238489982 573736626 /nfs/dbraw/zinc/73/66/26/573736626.db2.gz UHWJSRRQKPEEGI-VKHMYHEASA-N 0 0 180.070 1.873 10 0 ADAERN COc1cc(CCO)cc(C)c1OC 258113318 573736634 /nfs/dbraw/zinc/73/66/34/573736634.db2.gz PTAZOQVVQRCRFA-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN CCn1ncnc1C[C@H]1CC[C@H](O)C1 83997495 573736643 /nfs/dbraw/zinc/73/66/43/573736643.db2.gz IQZROKIQLGJNFB-IUCAKERBSA-N 0 0 195.266 1.002 10 0 ADAERN O=Cc1cccc2sc(=O)[nH]c12 108292219 573738974 /nfs/dbraw/zinc/73/89/74/573738974.db2.gz ONFHHLHSLSXBGL-UHFFFAOYSA-N 0 0 179.200 1.814 10 0 ADAERN Nc1ccc(CC(F)(F)F)c(N)c1 143254756 573738975 /nfs/dbraw/zinc/73/89/75/573738975.db2.gz JCQWBFYNNRUQFU-UHFFFAOYSA-N 0 0 190.168 1.956 10 0 ADAERN Cc1c[nH]c(C(F)F)c(C=O)c1=O 238501504 573744336 /nfs/dbraw/zinc/74/43/36/573744336.db2.gz CSKLDYZCZHUVGV-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN COC(=O)[C@@H](N)C(F)(F)C(C)(C)C 257860934 573744339 /nfs/dbraw/zinc/74/43/39/573744339.db2.gz QYPAEXYEAPYIRM-RXMQYKEDSA-N 0 0 195.209 1.168 10 0 ADAERN COc1ccc([C@@H](F)CO)cc1F 108299861 573744344 /nfs/dbraw/zinc/74/43/44/573744344.db2.gz NRUOTDPXPJCGND-QMMMGPOBSA-N 0 0 188.173 1.837 10 0 ADAERN COc1ccc(CON)c(O)c1C 258116015 573744346 /nfs/dbraw/zinc/74/43/46/573744346.db2.gz QBWNMSXELGFOAS-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN COC[C@H]1CCNc2ccc(O)cc21 257860939 573744355 /nfs/dbraw/zinc/74/43/55/573744355.db2.gz QYYZXUDWXGISNA-MRVPVSSYSA-N 0 0 193.246 1.938 10 0 ADAERN C/C=C1\C(=O)N[C@H]1C[Si](C)(C)C 238075625 573744360 /nfs/dbraw/zinc/74/43/60/573744360.db2.gz RKBWUZMELKAOFB-TVSKSKRASA-N 0 0 183.327 1.769 10 0 ADAERN Cn1nc(CO)c2c1CCC[C@@]2(C)F 257861002 573744364 /nfs/dbraw/zinc/74/43/64/573744364.db2.gz OQWRRGWJMDJHCS-SNVBAGLBSA-N 0 0 198.241 1.433 10 0 ADAERN CCCOCCCNc1cnccn1 131027488 573738279 /nfs/dbraw/zinc/73/82/79/573738279.db2.gz ZDTRQGZPTLKAKB-UHFFFAOYSA-N 0 0 195.266 1.705 10 0 ADAERN Nc1nc(Cl)nc2ccc(O)cc12 257859226 573738283 /nfs/dbraw/zinc/73/82/83/573738283.db2.gz QQVHNTINDRVBPL-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN C/C(=C\C[NH2+][C@H](C)CC1CC1)C(=O)[O-] 308428175 573738290 /nfs/dbraw/zinc/73/82/90/573738290.db2.gz AELXHPUTJNBSFB-WHXYTISESA-N 0 0 197.278 1.796 10 0 ADAERN Cc1cc(C)c(N)c(C(=O)N(C)C)c1 143243364 573738293 /nfs/dbraw/zinc/73/82/93/573738293.db2.gz DIAAWPICBHVLLQ-UHFFFAOYSA-N 0 0 192.262 1.587 10 0 ADAERN C[C@H](O)C[C@H](CCO)c1ccccc1 78591639 573738294 /nfs/dbraw/zinc/73/82/94/573738294.db2.gz IVBVNVIJBRTZIH-JQWIXIFHSA-N 0 0 194.274 1.924 10 0 ADAERN CC(=O)Nc1cc(C)cc2c[nH]nc12 238074262 573738295 /nfs/dbraw/zinc/73/82/95/573738295.db2.gz OSBIOPBAMGEDRW-UHFFFAOYSA-N 0 0 189.218 1.830 10 0 ADAERN CC(=O)[C@H]1CCCC[C@@H]1CO 238074127 573738327 /nfs/dbraw/zinc/73/83/27/573738327.db2.gz SZVDLTVFTVDZFM-RKDXNWHRSA-N 0 0 156.225 1.374 10 0 ADAERN CC(=O)Sc1cc(O)ccc1O 224994915 573738332 /nfs/dbraw/zinc/73/83/32/573738332.db2.gz BPGSDJGSFVRDEF-UHFFFAOYSA-N 0 0 184.216 1.736 10 0 ADAERN CC/C=C\C(=O)OCCOCCC 308430557 573738334 /nfs/dbraw/zinc/73/83/34/573738334.db2.gz SZLWWSBOKLTLAA-WAYWQWQTSA-N 0 0 186.251 1.922 10 0 ADAERN C[C@@H](O)OC1CCCCC1 79092262 573738336 /nfs/dbraw/zinc/73/83/36/573738336.db2.gz BMFDVOCTLCOHPA-ZETCQYMHSA-N 0 0 144.214 1.674 10 0 ADAERN COC(=O)/C(C)=C/CSC 84001529 573738341 /nfs/dbraw/zinc/73/83/41/573738341.db2.gz CHHHKYWZMLWDRO-GQCTYLIASA-N 0 0 160.238 1.469 10 0 ADAERN [NH3+][C@@H](CO)c1ccc(C2CC2)cc1 87012961 573738365 /nfs/dbraw/zinc/73/83/65/573738365.db2.gz QSVWLLHCHYROFN-NSHDSACASA-N 0 0 177.247 1.556 10 0 ADAERN CCn1ncnc1C[C@@H]1CC[C@@H](O)C1 83997497 573738368 /nfs/dbraw/zinc/73/83/68/573738368.db2.gz IQZROKIQLGJNFB-RKDXNWHRSA-N 0 0 195.266 1.002 10 0 ADAERN O[C@@H](c1cscn1)[C@H]1CCCOC1 224991996 573738379 /nfs/dbraw/zinc/73/83/79/573738379.db2.gz YPUSWLMFDSPGSG-IONNQARKSA-N 0 0 199.275 1.603 10 0 ADAERN C[C@@H]1CCCC[C@@]12C(N)=NC(=O)N2C 87009323 573738400 /nfs/dbraw/zinc/73/84/00/573738400.db2.gz PVXFNXOUKNPOTB-XCBNKYQSSA-N 0 0 195.266 1.568 10 0 ADAERN CC(=O)c1cnc2n1CCCC2 143203482 573738403 /nfs/dbraw/zinc/73/84/03/573738403.db2.gz AKLOUQFEXYMRDR-UHFFFAOYSA-N 0 0 164.208 1.422 10 0 ADAERN Cc1cc(O)ccc1-c1cc(N)n[nH]1 258113460 573738407 /nfs/dbraw/zinc/73/84/07/573738407.db2.gz PXRBKVLDJTZZMD-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN CC[C@@H](O)CCCc1ncnn1CC 83997570 573738411 /nfs/dbraw/zinc/73/84/11/573738411.db2.gz OYUYBLLEQYLMSN-SECBINFHSA-N 0 0 197.282 1.392 10 0 ADAERN CNC(=O)c1nccc(Cl)c1C 143247545 573738413 /nfs/dbraw/zinc/73/84/13/573738413.db2.gz NAIAIIDFEFTPGF-UHFFFAOYSA-N 0 0 184.626 1.403 10 0 ADAERN CC(=O)Nc1cc(C)c(C(C)=O)cn1 238072837 573738414 /nfs/dbraw/zinc/73/84/14/573738414.db2.gz SJXPEDYSEHROPI-UHFFFAOYSA-N 0 0 192.218 1.551 10 0 ADAERN C[C@@]1(c2ccccc2)C[C@H](N)C(=O)O1 238502414 573738421 /nfs/dbraw/zinc/73/84/21/573738421.db2.gz PVNSNIRZYSNYRP-ONGXEEELSA-N 0 0 191.230 1.176 10 0 ADAERN CC(C)N1C(=O)N=C(N)[C@H]1C(C)(C)C 87010702 573738423 /nfs/dbraw/zinc/73/84/23/573738423.db2.gz CVLPKPVBUQJFNT-ZETCQYMHSA-N 0 0 197.282 1.812 10 0 ADAERN CCC(CC)[C@H]1C(N)=NC(=O)N1C 87009544 573738481 /nfs/dbraw/zinc/73/84/81/573738481.db2.gz RUXOFMQPUQPGPW-ZETCQYMHSA-N 0 0 183.255 1.423 10 0 ADAERN C[C@H](O)[C@@H]1Cc2c(O)cccc2S1 258113903 573738495 /nfs/dbraw/zinc/73/84/95/573738495.db2.gz JFGXQARQNOHLDJ-WKEGUHRASA-N 0 0 196.271 1.790 10 0 ADAERN CCC[C@H]1C(N)=NC(=O)N1CC 87009943 573738505 /nfs/dbraw/zinc/73/85/05/573738505.db2.gz QVMVHYRCQUTVJM-LURJTMIESA-N 0 0 169.228 1.177 10 0 ADAERN CC[C@H](C)[C@H]1C(N)=NC(=O)N1CC 87009667 573738510 /nfs/dbraw/zinc/73/85/10/573738510.db2.gz DWWFVQIIYPTANG-BQBZGAKWSA-N 0 0 183.255 1.423 10 0 ADAERN CCC[C@@]1(C)C(N)=NC(=O)N1CC 87009622 573738535 /nfs/dbraw/zinc/73/85/35/573738535.db2.gz JNQSYULEWNZRPS-VIFPVBQESA-N 0 0 183.255 1.568 10 0 ADAERN CC1CC(O)([C@H]2CCCOC2)C1 224999294 573738541 /nfs/dbraw/zinc/73/85/41/573738541.db2.gz IRWALHVNQKIGFK-KYHHOPLUSA-N 0 0 170.252 1.574 10 0 ADAERN CCC[C@H](C)[C@@H]1C(N)=NC(=O)N1C 87009415 573738542 /nfs/dbraw/zinc/73/85/42/573738542.db2.gz ZIPNLIPRVLPAPL-NKWVEPMBSA-N 0 0 183.255 1.423 10 0 ADAERN COC[C@H](CO)c1cccc(O)c1 258114437 573738552 /nfs/dbraw/zinc/73/85/52/573738552.db2.gz KYRXMMWYUFYVDW-VIFPVBQESA-N 0 0 182.219 1.115 10 0 ADAERN C[C@H]1C[C@@H](O)C(C)(C)C1 238502305 573738572 /nfs/dbraw/zinc/73/85/72/573738572.db2.gz ZGZJOIRJSKEWPF-NKWVEPMBSA-N 0 0 128.215 1.803 10 0 ADAERN Cn1ncc(Cl)c1[C@H](F)CO 108292109 573738574 /nfs/dbraw/zinc/73/85/74/573738574.db2.gz JGIRSFKUVBTTRL-RXMQYKEDSA-N 0 0 178.594 1.076 10 0 ADAERN Nc1cc(-c2ccc(O)cc2F)no1 258113455 573738578 /nfs/dbraw/zinc/73/85/78/573738578.db2.gz PXOFLXHQXMCKGI-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN NC(=O)[C@H](O)c1ccc(C2CC2)cc1 87012989 573738587 /nfs/dbraw/zinc/73/85/87/573738587.db2.gz MMFBYZMIXURNRC-SNVBAGLBSA-N 0 0 191.230 1.083 10 0 ADAERN CC[C@@H](C)c1ccc([C@@H](N)NN)cc1 259619774 573738590 /nfs/dbraw/zinc/73/85/90/573738590.db2.gz XVTVKWROFWYEQF-KCJUWKMLSA-N 0 0 193.294 1.621 10 0 ADAERN CC[C@H]1C(N)=NC(=O)N1C(C)C 87010372 573738597 /nfs/dbraw/zinc/73/85/97/573738597.db2.gz GFQULPDDWSBQPC-LURJTMIESA-N 0 0 169.228 1.176 10 0 ADAERN CC(C)N1C(=O)N=C(N)[C@@]1(C)C(C)C 87010547 573738613 /nfs/dbraw/zinc/73/86/13/573738613.db2.gz UZHDBVNHJKYZBN-SNVBAGLBSA-N 0 0 197.282 1.812 10 0 ADAERN CC[C@]1(C)C(N)=NC(=O)N1C(C)C 87010376 573738632 /nfs/dbraw/zinc/73/86/32/573738632.db2.gz JXYRENYXKWMQMG-SECBINFHSA-N 0 0 183.255 1.566 10 0 ADAERN Cc1cccc(Cc2nc(=O)[nH]o2)c1 258113026 573738637 /nfs/dbraw/zinc/73/86/37/573738637.db2.gz STLPILGTONNRMF-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN CC[C@@H](CCc1cccnc1)NN 126894722 573738665 /nfs/dbraw/zinc/73/86/65/573738665.db2.gz CUEWSIJUNJZAHY-JTQLQIEISA-N 0 0 179.267 1.256 10 0 ADAERN CCN1C(=O)N=C(N)[C@]1(C)C1CC1 87009604 573738666 /nfs/dbraw/zinc/73/86/66/573738666.db2.gz RRLHCDOHOWLSDG-VIFPVBQESA-N 0 0 181.239 1.177 10 0 ADAERN CC(=O)Nc1cc(C)cccc1=O 238074518 573738677 /nfs/dbraw/zinc/73/86/77/573738677.db2.gz MGZVFYHAMYLJBR-UHFFFAOYSA-N 0 0 177.203 1.314 10 0 ADAERN CC[C@@]1(C)C(N)=NC(=O)N1CC1CC1 87011452 573738694 /nfs/dbraw/zinc/73/86/94/573738694.db2.gz JFPIAOIESFHUNB-JTQLQIEISA-N 0 0 195.266 1.568 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](CCO)N2C 258114159 573738695 /nfs/dbraw/zinc/73/86/95/573738695.db2.gz OTNKAZFQKATDAI-LLVKDONJSA-N 0 0 191.274 1.738 10 0 ADAERN Cc1ccccc1CC[C@](C)(O)CO 257858564 573738701 /nfs/dbraw/zinc/73/87/01/573738701.db2.gz QMEDWBCOAATQIT-LBPRGKRZSA-N 0 0 194.274 1.671 10 0 ADAERN CN(C(N)=O)c1cccc(C=O)c1 108291847 573738710 /nfs/dbraw/zinc/73/87/10/573738710.db2.gz YOWSUNZVNGLFIH-UHFFFAOYSA-N 0 0 178.191 1.014 10 0 ADAERN C[C@H]1CCCC[C@]12C(N)=NC(=O)N2C 87009328 573738711 /nfs/dbraw/zinc/73/87/11/573738711.db2.gz PVXFNXOUKNPOTB-OIBJUYFYSA-N 0 0 195.266 1.568 10 0 ADAERN CCc1cc(C(=O)CN)c(C)cc1O 258113432 573738713 /nfs/dbraw/zinc/73/87/13/573738713.db2.gz PXADTJAYGMRJEA-UHFFFAOYSA-N 0 0 193.246 1.404 10 0 ADAERN CC(=O)c1ccc2ncccc2n1 238072356 573738714 /nfs/dbraw/zinc/73/87/14/573738714.db2.gz JNLYWPWLYAJSEP-UHFFFAOYSA-N 0 0 172.187 1.832 10 0 ADAERN CC(=O)CNc1ccc(F)c(F)c1 258899537 573738720 /nfs/dbraw/zinc/73/87/20/573738720.db2.gz KOXOGYZIAHOOTA-UHFFFAOYSA-N 0 0 185.173 1.966 10 0 ADAERN C[C@H]1O[C@@H](CO)CN1c1ccccc1 238502286 573738736 /nfs/dbraw/zinc/73/87/36/573738736.db2.gz HBBSPVJQTGKYLB-MWLCHTKSSA-N 0 0 193.246 1.230 10 0 ADAERN CC(C)n1ncnc1Cn1cccc1 83996618 573738746 /nfs/dbraw/zinc/73/87/46/573738746.db2.gz SILSSJOKHGRGDB-UHFFFAOYSA-N 0 0 190.250 1.709 10 0 ADAERN OCC[C@@H]1COc2ccccc2N1 108292252 573738750 /nfs/dbraw/zinc/73/87/50/573738750.db2.gz DGCLKSCGYCRRTD-MRVPVSSYSA-N 0 0 179.219 1.242 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]1c1ccc(F)cc1 257859150 573738752 /nfs/dbraw/zinc/73/87/52/573738752.db2.gz QNQRSPZEGATMSY-RKDXNWHRSA-N 0 0 195.193 1.171 10 0 ADAERN CCC(=O)c1cc[nH]n1 143232895 573738756 /nfs/dbraw/zinc/73/87/56/573738756.db2.gz GXMZKSUWPJHWHY-UHFFFAOYSA-N 0 0 124.143 1.002 10 0 ADAERN O=C([O-])[C@H]1CCCC[C@@H]1[NH+]1CCC1 108295828 573738759 /nfs/dbraw/zinc/73/87/59/573738759.db2.gz LPUPXXLZAMXWJA-IUCAKERBSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H](CO)c1cccc2ocnc12 258114751 573738765 /nfs/dbraw/zinc/73/87/65/573738765.db2.gz ZHDXRSFLKRZRSZ-SSDOTTSWSA-N 0 0 177.203 1.924 10 0 ADAERN C/C=C1/CO[C@H](C)[C@H]1CC(C)=O 238071433 573738773 /nfs/dbraw/zinc/73/87/73/573738773.db2.gz GWJINWXYCCAAFS-SZGBIDFHSA-N 0 0 168.236 1.947 10 0 ADAERN Cc1nc2ccc(CO)nc2o1 238500404 573738775 /nfs/dbraw/zinc/73/87/75/573738775.db2.gz JKXHJNMUJVASIE-UHFFFAOYSA-N 0 0 164.164 1.024 10 0 ADAERN CC(=O)C(C)=CC=CC(CO)CO 393559524 573738779 /nfs/dbraw/zinc/73/87/79/573738779.db2.gz XEXDPKFFZUWCRB-VOGDQUTBSA-N 0 0 184.235 1.161 10 0 ADAERN CC[C@@H](C)[C@H]1C(N)=NC(=O)N1CC 87009666 573738780 /nfs/dbraw/zinc/73/87/80/573738780.db2.gz DWWFVQIIYPTANG-RQJHMYQMSA-N 0 0 183.255 1.423 10 0 ADAERN CCN1C(=O)N=C(N)[C@@]1(C)C(C)C 87009905 573738790 /nfs/dbraw/zinc/73/87/90/573738790.db2.gz ZEGQEGUPQXKKHI-SECBINFHSA-N 0 0 183.255 1.423 10 0 ADAERN OCC[C@H]1CCc2c(O)cccc21 78169852 573738797 /nfs/dbraw/zinc/73/87/97/573738797.db2.gz SJODHMCSNQAHNG-MRVPVSSYSA-N 0 0 178.231 1.804 10 0 ADAERN COC[C@@H](CO)c1cccc(O)c1 258114435 573738800 /nfs/dbraw/zinc/73/88/00/573738800.db2.gz KYRXMMWYUFYVDW-SECBINFHSA-N 0 0 182.219 1.115 10 0 ADAERN C[C@@H]1CCCC[C@]12C(N)=NC(=O)N2C 87009326 573738802 /nfs/dbraw/zinc/73/88/02/573738802.db2.gz PVXFNXOUKNPOTB-GMSGAONNSA-N 0 0 195.266 1.568 10 0 ADAERN C[C@H]1C[C@@H](O)C(C)(C)OC1(C)C 238502360 573738814 /nfs/dbraw/zinc/73/88/14/573738814.db2.gz JZRSCXZJNSEVRU-JGVFFNPUSA-N 0 0 172.268 1.961 10 0 ADAERN CC(=O)Oc1ccc2c(c1)O[C@@H](C)N2 238500316 573738818 /nfs/dbraw/zinc/73/88/18/573738818.db2.gz LCAKKXHXAHDCAQ-LURJTMIESA-N 0 0 193.202 1.762 10 0 ADAERN Cc1ccc(F)n2cnnc12 238500115 573738831 /nfs/dbraw/zinc/73/88/31/573738831.db2.gz AKSDJTRZHKOTRI-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN Oc1cccc2c1OC=CCO2 143287748 573738832 /nfs/dbraw/zinc/73/88/32/573738832.db2.gz UXDOBLCEWHNZJU-UHFFFAOYSA-N 0 0 164.160 1.677 10 0 ADAERN CC(=O)c1cnc(NC2CC2)s1 238075467 573738835 /nfs/dbraw/zinc/73/88/35/573738835.db2.gz GQFQYBGSMSEQPE-UHFFFAOYSA-N 0 0 182.248 1.920 10 0 ADAERN C[C@@H](O)c1cc(-c2ccncc2)no1 143285312 573738839 /nfs/dbraw/zinc/73/88/39/573738839.db2.gz SDLZTMFNZLMVJL-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN COCCCC[C@@H](N)C(F)(F)F 238335016 573738849 /nfs/dbraw/zinc/73/88/49/573738849.db2.gz CHZIJKCEPKBSGN-ZCFIWIBFSA-N 0 0 185.189 1.693 10 0 ADAERN CC[C@H]1C(N)=NC(=O)N1CC1CC1 87011447 573738867 /nfs/dbraw/zinc/73/88/67/573738867.db2.gz SCGULKGZVDXLIK-ZETCQYMHSA-N 0 0 181.239 1.177 10 0 ADAERN OCC[C@H]1CCc2cccc(F)c2N1 257859212 573738869 /nfs/dbraw/zinc/73/88/69/573738869.db2.gz QQCBCGZQYSXNIY-SECBINFHSA-N 0 0 195.237 1.935 10 0 ADAERN CN1C(=O)N=C(N)[C@@]1(C)C1CCCC1 87009440 573738879 /nfs/dbraw/zinc/73/88/79/573738879.db2.gz WVNPXYXFMJOVIM-SNVBAGLBSA-N 0 0 195.266 1.568 10 0 ADAERN CC(=O)c1ncc2ccc(F)cc2n1 257858575 573738883 /nfs/dbraw/zinc/73/88/83/573738883.db2.gz QMNUJDTXDLNULA-UHFFFAOYSA-N 0 0 190.177 1.972 10 0 ADAERN CC(=O)c1cccc2c1OC[C@H](O)C2 238074271 573738894 /nfs/dbraw/zinc/73/88/94/573738894.db2.gz TWZAOFVLWLHHIR-SECBINFHSA-N 0 0 192.214 1.185 10 0 ADAERN Cc1nc2cc(Cl)[nH+][n-]c-2n1 258114783 573738898 /nfs/dbraw/zinc/73/88/98/573738898.db2.gz ZHQTYSIIUWVMHV-UHFFFAOYSA-N 0 0 168.587 1.315 10 0 ADAERN NC(=O)[C@H](O)c1cccc(C2CC2)c1 87012992 573738899 /nfs/dbraw/zinc/73/88/99/573738899.db2.gz IXLWUKAEHSRZSE-SNVBAGLBSA-N 0 0 191.230 1.083 10 0 ADAERN CC(=O)[C@@H]1CC=C(CO)CC1 238072042 573738901 /nfs/dbraw/zinc/73/89/01/573738901.db2.gz PDLBHDBHPOGBIK-SECBINFHSA-N 0 0 154.209 1.294 10 0 ADAERN C[C@]12CC(=O)O[C@H]1CCCC2=O 238500208 573738923 /nfs/dbraw/zinc/73/89/23/573738923.db2.gz OLBFWZYUMKDIEC-IONNQARKSA-N 0 0 168.192 1.061 10 0 ADAERN Cc1ccc([C@@H]2COC[C@H](C)N2)o1 108293713 573738929 /nfs/dbraw/zinc/73/89/29/573738929.db2.gz XNWRXQPKYLNPHS-CBAPKCEASA-N 0 0 181.235 1.637 10 0 ADAERN NNCc1ccc(C2CC2)cc1 87012256 573738934 /nfs/dbraw/zinc/73/89/34/573738934.db2.gz RCXBYQNHFCBMEV-UHFFFAOYSA-N 0 0 162.236 1.527 10 0 ADAERN CC(C)N1C(=O)N=C(N)C12CCCC2 87010411 573738945 /nfs/dbraw/zinc/73/89/45/573738945.db2.gz PACGHXMDWSOWKX-UHFFFAOYSA-N 0 0 195.266 1.710 10 0 ADAERN NOCc1cccc2c1OCCC2 258114857 573738961 /nfs/dbraw/zinc/73/89/61/573738961.db2.gz ZIQSCNITZYUMLA-UHFFFAOYSA-N 0 0 179.219 1.402 10 0 ADAERN CN1C(=O)N=C(N)[C@H]1CC(C)(C)C 87009422 573738972 /nfs/dbraw/zinc/73/89/72/573738972.db2.gz MIBREZQDYOFDJW-ZCFIWIBFSA-N 0 0 183.255 1.423 10 0 ADAERN C[C@@]1(c2ccccc2)CCN1C(N)=O 238501635 573743161 /nfs/dbraw/zinc/74/31/61/573743161.db2.gz NRBNZTLAUUTQRQ-NSHDSACASA-N 0 0 190.246 1.686 10 0 ADAERN COc1c(F)cccc1[C@H](F)CO 108299842 573743170 /nfs/dbraw/zinc/74/31/70/573743170.db2.gz IMONJEUUDKSYKO-MRVPVSSYSA-N 0 0 188.173 1.837 10 0 ADAERN C[C@H]1Nc2ccccc2SC[C@@H]1O 238501099 573743172 /nfs/dbraw/zinc/74/31/72/573743172.db2.gz YNUIAJDRARTDLB-APPZFPTMSA-N 0 0 195.287 1.954 10 0 ADAERN Cc1c2cccccc-2[nH]c1=O 238500101 573742441 /nfs/dbraw/zinc/74/24/41/573742441.db2.gz WGESUXONDFMXED-UHFFFAOYSA-N 0 0 159.188 1.788 10 0 ADAERN Cc1ccc(C(=O)c2nc[nH]n2)s1 84007632 573742444 /nfs/dbraw/zinc/74/24/44/573742444.db2.gz YIJLDAQVODAXFQ-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN Cc1ccc2c(c1N)C(=O)CCO2 238500057 573742454 /nfs/dbraw/zinc/74/24/54/573742454.db2.gz FQEXONWVTNQPIT-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN COC(=O)Cc1cc(CC(C)C)n[nH]1 259619323 573742463 /nfs/dbraw/zinc/74/24/63/573742463.db2.gz HTJLCACFBIISNP-UHFFFAOYSA-N 0 0 196.250 1.324 10 0 ADAERN COCc1cc(C[C@H](C)O)ccc1F 258103679 573742468 /nfs/dbraw/zinc/74/24/68/573742468.db2.gz OZRGZMJRHAHDGK-QMMMGPOBSA-N 0 0 198.237 1.895 10 0 ADAERN O[C@@]1([C@@H]2CCCOC2)C=CCCC1 224991285 573742471 /nfs/dbraw/zinc/74/24/71/573742471.db2.gz OJABGNUEBXZPKG-MNOVXSKESA-N 0 0 182.263 1.884 10 0 ADAERN CC(C)(C)C[C@@H]1[NH2+]CCC[C@H]1C(=O)[O-] 238076440 573742489 /nfs/dbraw/zinc/74/24/89/573742489.db2.gz ZLZKREVVHNMRBK-BDAKNGLRSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1F)CCO2 258103630 573742501 /nfs/dbraw/zinc/74/25/01/573742501.db2.gz OYSGWDCOPGWZJF-ZETCQYMHSA-N 0 0 196.221 1.684 10 0 ADAERN Nc1cc(C[C@H]2CCCS2)[nH]n1 258420362 573742502 /nfs/dbraw/zinc/74/25/02/573742502.db2.gz DTGGBRUJICDHOA-SSDOTTSWSA-N 0 0 183.280 1.430 10 0 ADAERN CC[C@H](C)[C@H]1OCCCC1=O 205906462 573742507 /nfs/dbraw/zinc/74/25/07/573742507.db2.gz RTBHJBNFGACYRO-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1ccc2c(c1O)C(=O)CCO2 238500080 573742521 /nfs/dbraw/zinc/74/25/21/573742521.db2.gz WKDFTLJJHOGVAM-UHFFFAOYSA-N 0 0 178.187 1.666 10 0 ADAERN CC[NH2+]Cc1cc(C(=O)OC)co1 126908283 573742523 /nfs/dbraw/zinc/74/25/23/573742523.db2.gz MQRYBNGYGFOUJV-UHFFFAOYSA-N 0 0 183.207 1.176 10 0 ADAERN Cc1cc(N)nn1-c1nccs1 124990424 573742527 /nfs/dbraw/zinc/74/25/27/573742527.db2.gz BURDILQIVIOZOF-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CC(=O)C1CC[C@H]2O[C@@H]2CC1 238075704 573742545 /nfs/dbraw/zinc/74/25/45/573742545.db2.gz MUNGDSVGWWHBCK-RKDXNWHRSA-N 0 0 154.209 1.533 10 0 ADAERN COc1ccc(N[C@H](C)CO)c(N)c1 125000508 573742553 /nfs/dbraw/zinc/74/25/53/573742553.db2.gz IYPONXKQPVEHKX-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN CN[C@H]([C@@H]1CCCO1)C(F)(F)F 97989795 573742554 /nfs/dbraw/zinc/74/25/54/573742554.db2.gz LTXUFIINVYTSGJ-NTSWFWBYSA-N 0 0 183.173 1.316 10 0 ADAERN COc1cc(CNO)cc2c1OCC2 258103580 573742565 /nfs/dbraw/zinc/74/25/65/573742565.db2.gz OXQPQJRZGKFCQY-UHFFFAOYSA-N 0 0 195.218 1.109 10 0 ADAERN CN1CCc2cccc(CON)c21 258103766 573742572 /nfs/dbraw/zinc/74/25/72/573742572.db2.gz YCIZZPLQHLLJHV-UHFFFAOYSA-N 0 0 178.235 1.069 10 0 ADAERN OCC[C@@H]1CCc2c(O)cccc21 78169857 573742578 /nfs/dbraw/zinc/74/25/78/573742578.db2.gz SJODHMCSNQAHNG-QMMMGPOBSA-N 0 0 178.231 1.804 10 0 ADAERN N#Cc1ccc2ccc(C=O)nc2c1 144872463 573742585 /nfs/dbraw/zinc/74/25/85/573742585.db2.gz HRBGHGHAIIQCME-UHFFFAOYSA-N 0 0 182.182 1.919 10 0 ADAERN COCCCc1ncc(C[C@H](C)O)o1 258115524 573742589 /nfs/dbraw/zinc/74/25/89/573742589.db2.gz OJEGLKYJRWEBBV-QMMMGPOBSA-N 0 0 199.250 1.177 10 0 ADAERN Cc1ccc2c[nH]c(=O)n2c1 258419961 573742591 /nfs/dbraw/zinc/74/25/91/573742591.db2.gz BVMNQRYKVSHOHQ-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN CCc1cc(CCO)c(O)c(OC)c1 258103583 573742612 /nfs/dbraw/zinc/74/26/12/573742612.db2.gz OXSVITLLEQNGFZ-UHFFFAOYSA-N 0 0 196.246 1.498 10 0 ADAERN C/C=C/[C@H]1C[C@@H](C(C)=O)[C@@H](C)O1 238062169 573742613 /nfs/dbraw/zinc/74/26/13/573742613.db2.gz ULKJYHMHCKECRF-RQYQQKASSA-N 0 0 168.236 1.945 10 0 ADAERN COCc1cnc2cccc(N)n12 258513650 573742639 /nfs/dbraw/zinc/74/26/39/573742639.db2.gz KZZHAEIBLYCZHM-UHFFFAOYSA-N 0 0 177.207 1.063 10 0 ADAERN Cc1cc(C=O)c(C(=O)CN)cc1C 258115914 573742667 /nfs/dbraw/zinc/74/26/67/573742667.db2.gz QADCRHVOGORZJS-UHFFFAOYSA-N 0 0 191.230 1.257 10 0 ADAERN CC(C)(C)C[C@@H]1[NH2+]CCC[C@@H]1C(=O)[O-] 238076336 573742688 /nfs/dbraw/zinc/74/26/88/573742688.db2.gz ZLZKREVVHNMRBK-IUCAKERBSA-N 0 0 199.294 1.875 10 0 ADAERN NOc1ccc(Cl)s1 258115060 573742690 /nfs/dbraw/zinc/74/26/90/573742690.db2.gz ZBBBBLGLJIDJRM-UHFFFAOYSA-N 0 0 149.602 1.654 10 0 ADAERN COC[C@H]1CC(=O)c2cc[nH]c2C1 223535290 573742701 /nfs/dbraw/zinc/74/27/01/573742701.db2.gz SCVRLFMCIUXKKQ-SSDOTTSWSA-N 0 0 179.219 1.406 10 0 ADAERN C[C@H](O)Cc1noc(C2CCCC2)n1 258115104 573742702 /nfs/dbraw/zinc/74/27/02/573742702.db2.gz SWAKWUUUPLDXOI-ZETCQYMHSA-N 0 0 196.250 1.651 10 0 ADAERN Cc1ccc(F)c([C@@H]2COC[C@H]2O)c1 687965988 573742708 /nfs/dbraw/zinc/74/27/08/573742708.db2.gz WHIIYRIOEZCBFD-GXSJLCMTSA-N 0 0 196.221 1.609 10 0 ADAERN NOCc1cc(Cl)c2c(c1)CCO2 258102821 573742712 /nfs/dbraw/zinc/74/27/12/573742712.db2.gz KPEUTVPVZHPVLF-UHFFFAOYSA-N 0 0 199.637 1.665 10 0 ADAERN CC(=O)c1cnc2n[nH]cc2c1Cl 238075795 573742713 /nfs/dbraw/zinc/74/27/13/573742713.db2.gz BLXROXYUHWREPE-UHFFFAOYSA-N 0 0 195.609 1.814 10 0 ADAERN CC(=O)NC1=NOCc2ccccc21 238076154 573742725 /nfs/dbraw/zinc/74/27/25/573742725.db2.gz XPRVYAYSYDXYRS-UHFFFAOYSA-N 0 0 190.202 1.015 10 0 ADAERN C[C@H](O)Cc1c(O)ccc2c1OCO2 258103635 573742736 /nfs/dbraw/zinc/74/27/36/573742736.db2.gz OYUVDJIIKUGLRD-LURJTMIESA-N 0 0 196.202 1.044 10 0 ADAERN Cc1ccc([C@@]2(O)CCOC2)s1 84006925 573742758 /nfs/dbraw/zinc/74/27/58/573742758.db2.gz JHFUEQWCMXMHSY-SECBINFHSA-N 0 0 184.260 1.664 10 0 ADAERN Cc1ccc2c(c1)O[C@H](C)[C@H]2O 87016387 573742767 /nfs/dbraw/zinc/74/27/67/573742767.db2.gz XLHAVLYJVZOCEE-GMSGAONNSA-N 0 0 164.204 1.809 10 0 ADAERN CC(C)c1ncc2n1CCC[C@@H]2CO 258420804 573742782 /nfs/dbraw/zinc/74/27/82/573742782.db2.gz VUKVWKBUHNDEOH-SECBINFHSA-N 0 0 194.278 1.876 10 0 ADAERN COc1cc(NN)c(OC)c(C)c1C 259174523 573742787 /nfs/dbraw/zinc/74/27/87/573742787.db2.gz JMNUNLPDUHDVFK-UHFFFAOYSA-N 0 0 196.250 1.606 10 0 ADAERN OCCCn1nncc1C1CCCC1 258103672 573742809 /nfs/dbraw/zinc/74/28/09/573742809.db2.gz ODCAPYXXQRJMTF-UHFFFAOYSA-N 0 0 195.266 1.318 10 0 ADAERN CN[C@H]([C@H]1CCCO1)C(F)(F)F 97989797 573742813 /nfs/dbraw/zinc/74/28/13/573742813.db2.gz LTXUFIINVYTSGJ-PHDIDXHHSA-N 0 0 183.173 1.316 10 0 ADAERN CC(C)(C[NH2+]CC1CCC1)CC(=O)[O-] 258903883 573742818 /nfs/dbraw/zinc/74/28/18/573742818.db2.gz ONEDOOOJYDXSGV-UHFFFAOYSA-N 0 0 199.294 1.877 10 0 ADAERN Cc1ccc([C@H](O)c2nc[nH]n2)s1 84007804 573742819 /nfs/dbraw/zinc/74/28/19/573742819.db2.gz ONZQJEQADNKOJO-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN CC(=CC(=O)NC(C)C)NC(C)C 223490089 573742825 /nfs/dbraw/zinc/74/28/25/573742825.db2.gz CKPOXINQBIIZTK-RMKNXTFCSA-N 0 0 184.283 1.413 10 0 ADAERN Cc1ccc([C@]2(O)CCOC2)s1 84006924 573742829 /nfs/dbraw/zinc/74/28/29/573742829.db2.gz JHFUEQWCMXMHSY-VIFPVBQESA-N 0 0 184.260 1.664 10 0 ADAERN C[C@H](O)c1ccc(CCON)cc1 258103747 573742833 /nfs/dbraw/zinc/74/28/33/573742833.db2.gz YBIAMPNPBNSGKM-QMMMGPOBSA-N 0 0 181.235 1.173 10 0 ADAERN CC[C@@H](CC1CCSCC1)NN 126914590 573742840 /nfs/dbraw/zinc/74/28/40/573742840.db2.gz CUHYZDNTRBASJY-VIFPVBQESA-N 0 0 188.340 1.762 10 0 ADAERN OCCc1c(F)ccc2c1COCO2 258103542 573742845 /nfs/dbraw/zinc/74/28/45/573742845.db2.gz OWXDEHVLWHDVBF-UHFFFAOYSA-N 0 0 198.193 1.227 10 0 ADAERN COc1ccccc1C[C@H](F)C(N)=O 258103638 573742851 /nfs/dbraw/zinc/74/28/51/573742851.db2.gz OCNOXPCYQOBJRT-QMMMGPOBSA-N 0 0 197.209 1.061 10 0 ADAERN CSc1cc(C)c(O)cc1CNO 258102855 573742875 /nfs/dbraw/zinc/74/28/75/573742875.db2.gz KPPPMYLQAXTBJK-UHFFFAOYSA-N 0 0 199.275 1.901 10 0 ADAERN Nc1n[nH]c2c1-c1ccccc1OC2 108299369 573742889 /nfs/dbraw/zinc/74/28/89/573742889.db2.gz LSXDWUVVPUAQGO-UHFFFAOYSA-N 0 0 187.202 1.551 10 0 ADAERN C[N@@H+]1CCC[C@H](C/C=C\CC(=O)[O-])C1 258102558 573742890 /nfs/dbraw/zinc/74/28/90/573742890.db2.gz HEBOLUMYBMPIGC-ZMWSMAPVSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1ccc(F)c([C@@H]2COC[C@@H]2O)c1 687965996 573742898 /nfs/dbraw/zinc/74/28/98/573742898.db2.gz WHIIYRIOEZCBFD-ONGXEEELSA-N 0 0 196.221 1.609 10 0 ADAERN NOCc1ccc2occc2c1F 258114979 573742911 /nfs/dbraw/zinc/74/29/11/573742911.db2.gz ZLSLIGBLXKVKJS-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN OCC(F)(F)Cc1ccc(O)cc1 257859232 573742924 /nfs/dbraw/zinc/74/29/24/573742924.db2.gz QRAMOVTWQYYIQC-UHFFFAOYSA-N 0 0 188.173 1.562 10 0 ADAERN CC(=O)[C@@H]1CNc2ccc(O)cc21 258102418 573742929 /nfs/dbraw/zinc/74/29/29/573742929.db2.gz OBNQDCRJIXJANG-VIFPVBQESA-N 0 0 177.203 1.490 10 0 ADAERN Cc1c([C@@H](C)CO)ccc2c1OCO2 258103701 573742936 /nfs/dbraw/zinc/74/29/36/573742936.db2.gz OZYXTOKNYIPVAZ-ZETCQYMHSA-N 0 0 194.230 1.820 10 0 ADAERN CN1N=CC(=O)C1C1CCC1 258419883 573742945 /nfs/dbraw/zinc/74/29/45/573742945.db2.gz BVBVENIJZFKGDN-UHFFFAOYSA-N 0 0 152.197 1.393 10 0 ADAERN Nc1cnoc1[C@@H]1CCCS1 258420290 573742985 /nfs/dbraw/zinc/74/29/85/573742985.db2.gz BYJCNGMKTDRYFA-LURJTMIESA-N 0 0 170.237 1.825 10 0 ADAERN [NH3+]Cc1c(F)c([O-])cc(F)c1F 258102049 573742990 /nfs/dbraw/zinc/74/29/90/573742990.db2.gz XYGPNWVUSPHKHH-UHFFFAOYSA-N 0 0 177.125 1.268 10 0 ADAERN Cc1ccc(F)c([C@H]2COC[C@@H]2O)c1 687965993 573743028 /nfs/dbraw/zinc/74/30/28/573743028.db2.gz WHIIYRIOEZCBFD-KOLCDFICSA-N 0 0 196.221 1.609 10 0 ADAERN Cc1nccc(C(=O)[C@H]2CCOC2)n1 125020072 573743047 /nfs/dbraw/zinc/74/30/47/573743047.db2.gz ZUWIBYDEEZDDMH-QMMMGPOBSA-N 0 0 192.218 1.004 10 0 ADAERN CC(=O)c1cncc(OC2CC2)c1 238076251 573743062 /nfs/dbraw/zinc/74/30/62/573743062.db2.gz VXYJCYGSMWZTJZ-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN CC(=O)[C@H]1CCC[C@]1(C)C(C)=O 238076387 573743071 /nfs/dbraw/zinc/74/30/71/573743071.db2.gz KVYUWJIJCOLVQB-NXEZZACHSA-N 0 0 168.236 1.971 10 0 ADAERN COc1cc(C)sc1[C@H]([NH3+])CO 108299542 573743080 /nfs/dbraw/zinc/74/30/80/573743080.db2.gz ABWGRKCFGACLQZ-ZCFIWIBFSA-N 0 0 187.264 1.057 10 0 ADAERN COc1ccc(CCO)c(C=O)c1 258102098 573743095 /nfs/dbraw/zinc/74/30/95/573743095.db2.gz XZTQXRXGLDXYPR-UHFFFAOYSA-N 0 0 180.203 1.043 10 0 ADAERN Cc1cnc(CN2CCCO2)o1 306314543 573743104 /nfs/dbraw/zinc/74/31/04/573743104.db2.gz YYUSWTCJDGXWHY-UHFFFAOYSA-N 0 0 168.196 1.120 10 0 ADAERN Cc1ncc(CC(C)C)c(=O)[nH]1 258422089 573743121 /nfs/dbraw/zinc/74/31/21/573743121.db2.gz CTQFWCPKVMQCBE-UHFFFAOYSA-N 0 0 166.224 1.689 10 0 ADAERN CCC[C@H](NN)c1csc(C)n1 127015026 573745816 /nfs/dbraw/zinc/74/58/16/573745816.db2.gz JEFFYXBHJMHJRT-ZETCQYMHSA-N 0 0 185.296 1.756 10 0 ADAERN CC[C@@H](C)[C@@H]1OCCCC1=O 205906482 573745839 /nfs/dbraw/zinc/74/58/39/573745839.db2.gz RTBHJBNFGACYRO-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@H]1Nc2ccccc2OC[C@H]1O 238501073 573745840 /nfs/dbraw/zinc/74/58/40/573745840.db2.gz XQUPEUZDEVJGDY-VXNVDRBHSA-N 0 0 179.219 1.240 10 0 ADAERN CN[C@@H](C)c1nnc([C@H](N)C(C)C)o1 238336950 573745850 /nfs/dbraw/zinc/74/58/50/573745850.db2.gz JJHKVWFNKUEIOB-NKWVEPMBSA-N 0 0 198.270 1.006 10 0 ADAERN CCC[C@H](CCc1ccncc1)NN 127035405 573745858 /nfs/dbraw/zinc/74/58/58/573745858.db2.gz BMQXDRWHCUGVTR-LLVKDONJSA-N 0 0 193.294 1.646 10 0 ADAERN C[S@@](=O)c1ccc(OC2CC2)cc1 238501430 573745244 /nfs/dbraw/zinc/74/52/44/573745244.db2.gz LWMATAVOPLSWJU-CYBMUJFWSA-N 0 0 196.271 1.965 10 0 ADAERN CCc1nc2c(s1)C[C@H](O)CC2 257863633 573745263 /nfs/dbraw/zinc/74/52/63/573745263.db2.gz CVACUWBMQIKRKM-ZCFIWIBFSA-N 0 0 183.276 1.555 10 0 ADAERN CC(=O)N1C(=S)N[C@H]2CCCC[C@@H]21 238062497 573745270 /nfs/dbraw/zinc/74/52/70/573745270.db2.gz SLXQPFLWFLOTHW-YUMQZZPRSA-N 0 0 198.291 1.034 10 0 ADAERN Cc1ccc2c(c1)O[C@@H](C)[C@H]2O 87016389 573745271 /nfs/dbraw/zinc/74/52/71/573745271.db2.gz XLHAVLYJVZOCEE-OIBJUYFYSA-N 0 0 164.204 1.809 10 0 ADAERN CCC[C@@H](NN)c1ccncc1OC 127036919 573745296 /nfs/dbraw/zinc/74/52/96/573745296.db2.gz VVIDMVNQPPQWLW-SECBINFHSA-N 0 0 195.266 1.395 10 0 ADAERN COCc1nc(N)cn1C(C)C 257873370 573745306 /nfs/dbraw/zinc/74/53/06/573745306.db2.gz IPTRMKBUUMNTPS-UHFFFAOYSA-N 0 0 169.228 1.193 10 0 ADAERN Cc1cc([C@H]2COC[C@@H]2O)cnc1C 687965933 573745307 /nfs/dbraw/zinc/74/53/07/573745307.db2.gz VMWXMIVYQGERHU-MNOVXSKESA-N 0 0 193.246 1.173 10 0 ADAERN C[C@H]1Nc2ccccc2-c2nnnn21 238501432 573745310 /nfs/dbraw/zinc/74/53/10/573745310.db2.gz OAPMYQDSBJQWAC-LURJTMIESA-N 0 0 187.206 1.284 10 0 ADAERN CC(=O)Cc1ccccc1NC(N)=O 108302190 573745313 /nfs/dbraw/zinc/74/53/13/573745313.db2.gz DJDLRZGBSXAWEO-UHFFFAOYSA-N 0 0 192.218 1.309 10 0 ADAERN CCSCc1nc(N)co1 257864184 573745314 /nfs/dbraw/zinc/74/53/14/573745314.db2.gz GMJYFEQWCSJGIV-UHFFFAOYSA-N 0 0 158.226 1.510 10 0 ADAERN COC(C)(C)C[C@H](O)c1ccc[nH]1 393561768 573745320 /nfs/dbraw/zinc/74/53/20/573745320.db2.gz FOITUUXNGQXCKP-VIFPVBQESA-N 0 0 183.251 1.863 10 0 ADAERN O=C([O-])[C@@H]1C2CC(C2)[N@@H+]1C1CCCC1 257863103 573745321 /nfs/dbraw/zinc/74/53/21/573745321.db2.gz RKLBYLGUFZRLCY-GDRRJGKNSA-N 0 0 195.262 1.476 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1C(N)=O 144860348 573745327 /nfs/dbraw/zinc/74/53/27/573745327.db2.gz ANJKOOKVQNZPTQ-CSMHCCOUSA-N 0 0 155.241 1.544 10 0 ADAERN COc1ccc([C@@H]2CC(=O)NO2)cc1 257863852 573745334 /nfs/dbraw/zinc/74/53/34/573745334.db2.gz RQGPPBPAMOMULC-VIFPVBQESA-N 0 0 193.202 1.188 10 0 ADAERN CCc1ccsc1-c1nc(N)no1 87017562 573745345 /nfs/dbraw/zinc/74/53/45/573745345.db2.gz JAFVZTIYBRUKAJ-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN C[S@@](=O)c1cc(F)cc2c1CCN2 238501152 573745366 /nfs/dbraw/zinc/74/53/66/573745366.db2.gz DJKPCRKIPKAURM-CYBMUJFWSA-N 0 0 199.250 1.531 10 0 ADAERN CC(C)n1c(=O)[nH]c2c(N)cccc21 108301314 573745393 /nfs/dbraw/zinc/74/53/93/573745393.db2.gz LEGMNHGUYHAFBJ-UHFFFAOYSA-N 0 0 191.234 1.905 10 0 ADAERN C=CC(=O)N1C[C@H](C)CC[C@H]1C 84047368 573745464 /nfs/dbraw/zinc/74/54/64/573745464.db2.gz GWQQVHKVGHFYNN-RKDXNWHRSA-N 0 0 167.252 1.819 10 0 ADAERN CCc1ccsc1CO 87017292 573745478 /nfs/dbraw/zinc/74/54/78/573745478.db2.gz ZVSCUUIVFHMDGJ-UHFFFAOYSA-N 0 0 142.223 1.803 10 0 ADAERN CC(C)n1c(CO)nc2cccnc21 76047177 573745490 /nfs/dbraw/zinc/74/54/90/573745490.db2.gz CNSWBBWGEDJWSJ-UHFFFAOYSA-N 0 0 191.234 1.505 10 0 ADAERN CC(=O)N1Cc2cc(N)ccc2CO1 238060504 573745524 /nfs/dbraw/zinc/74/55/24/573745524.db2.gz OLLROADTNBZCTI-UHFFFAOYSA-N 0 0 192.218 1.063 10 0 ADAERN COc1ccc(F)cc1[C@@H](F)CO 108299856 573745555 /nfs/dbraw/zinc/74/55/55/573745555.db2.gz CWIVVURNJHHOPU-QMMMGPOBSA-N 0 0 188.173 1.837 10 0 ADAERN Cc1ccc2c(c1)[C@@](C)(O)CCO2 238500860 573745558 /nfs/dbraw/zinc/74/55/58/573745558.db2.gz WLVGOUTZHKDWIS-NSHDSACASA-N 0 0 178.231 1.985 10 0 ADAERN C[C@@]1(O)CCCC[C@]1(C)CO 238500675 573745568 /nfs/dbraw/zinc/74/55/68/573745568.db2.gz QEWAZEVUOTZLNF-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN O=C(CCO)NCC1CCCCC1 258902116 573745572 /nfs/dbraw/zinc/74/55/72/573745572.db2.gz RZXSYJNPINLIOC-UHFFFAOYSA-N 0 0 185.267 1.065 10 0 ADAERN Cc1ccc2c(c1)[C@](C)(O)CCO2 238500595 573745606 /nfs/dbraw/zinc/74/56/06/573745606.db2.gz WLVGOUTZHKDWIS-LLVKDONJSA-N 0 0 178.231 1.985 10 0 ADAERN CCNC(=O)Nc1ccc(C=O)cc1 79124988 573745628 /nfs/dbraw/zinc/74/56/28/573745628.db2.gz OTANUNWCNKJPBC-UHFFFAOYSA-N 0 0 192.218 1.641 10 0 ADAERN Cc1cc2c(F)cccc2n1N 238501831 573745634 /nfs/dbraw/zinc/74/56/34/573745634.db2.gz LGTLWXBPMBAAJM-UHFFFAOYSA-N 0 0 164.183 1.803 10 0 ADAERN Cc1nn(C)c([C@H](F)CO)c1Cl 108302648 573745653 /nfs/dbraw/zinc/74/56/53/573745653.db2.gz FYTAHRFTECPPAV-RXMQYKEDSA-N 0 0 192.621 1.385 10 0 ADAERN CC(=O)N[C@]1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 238062133 573745659 /nfs/dbraw/zinc/74/56/59/573745659.db2.gz XUYHVMOLVPWKKP-VPOLOUISSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@@H]1CC[C@@H](C)[N@H+](C/C=C/C(=O)[O-])C1 84049806 573745661 /nfs/dbraw/zinc/74/56/61/573745661.db2.gz CMXURDURHINLIJ-HIHHVFROSA-N 0 0 197.278 1.748 10 0 ADAERN O=C1Cc2c(CCCO)cccc2N1 258116156 573745677 /nfs/dbraw/zinc/74/56/77/573745677.db2.gz QDVFZCASBNUEQA-UHFFFAOYSA-N 0 0 191.230 1.106 10 0 ADAERN CCc1ccsc1-c1nnc(N)o1 87016946 573745687 /nfs/dbraw/zinc/74/56/87/573745687.db2.gz YSUVUMARFHFFJD-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CC(C)n1cc(N)nc1N1CCCC1 257864055 573745688 /nfs/dbraw/zinc/74/56/88/573745688.db2.gz GICJORIXJUHPKN-UHFFFAOYSA-N 0 0 194.282 1.646 10 0 ADAERN C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H](C)C(=O)[O-] 84049402 573745705 /nfs/dbraw/zinc/74/57/05/573745705.db2.gz JLIBXOXFODKUFV-VGMNWLOBSA-N 0 0 185.267 1.580 10 0 ADAERN Cc1cc([C@@H]2COC[C@@H]2O)cnc1C 687965934 573745712 /nfs/dbraw/zinc/74/57/12/573745712.db2.gz VMWXMIVYQGERHU-QWRGUYRKSA-N 0 0 193.246 1.173 10 0 ADAERN O[C@H]1CCn2c(C3CCC3)cnc2C1 257863838 573745716 /nfs/dbraw/zinc/74/57/16/573745716.db2.gz RQBUFDKMKOQGCF-VIFPVBQESA-N 0 0 192.262 1.458 10 0 ADAERN Nc1cncc(NCc2ccon2)c1 122450885 573745717 /nfs/dbraw/zinc/74/57/17/573745717.db2.gz DLUNFRSAUDVTDK-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN CC(=O)c1cc([C@H]2CCCN2C)[nH]n1 259174571 573745719 /nfs/dbraw/zinc/74/57/19/573745719.db2.gz JFEVYPZULPYGQM-SNVBAGLBSA-N 0 0 193.250 1.379 10 0 ADAERN C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](C)C(=O)[O-])C1 84049565 573745726 /nfs/dbraw/zinc/74/57/26/573745726.db2.gz MFZDGBVRLPINIW-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1coc([C@H](O)[C@@H]2[C@H]3COC[C@H]32)c1 716150742 573745743 /nfs/dbraw/zinc/74/57/43/573745743.db2.gz AYUSCGFETDFLMZ-URPMGSGRSA-N 0 0 194.230 1.514 10 0 ADAERN COc1cccc([C@@H](F)CO)c1O 108298745 573745756 /nfs/dbraw/zinc/74/57/56/573745756.db2.gz MKIHLCBLFLWPJL-ZETCQYMHSA-N 0 0 186.182 1.404 10 0 ADAERN ONCCC1CCC1 257873259 573745757 /nfs/dbraw/zinc/74/57/57/573745757.db2.gz YPQRPKBTZBFMEW-UHFFFAOYSA-N 0 0 115.176 1.155 10 0 ADAERN CC[C@H](O)C[C@@H](C)[C@@H](C)O 79129598 573745770 /nfs/dbraw/zinc/74/57/70/573745770.db2.gz OORRBWLVIVLEFE-PRJMDXOYSA-N 0 0 146.230 1.164 10 0 ADAERN Cc1cccc(-c2c[nH]nc2CO)c1 257862976 573745774 /nfs/dbraw/zinc/74/57/74/573745774.db2.gz WATDVAMVANURSJ-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN Cc1coc([C@@H](O)[C@@H]2[C@H]3COC[C@H]32)c1 716150795 573745777 /nfs/dbraw/zinc/74/57/77/573745777.db2.gz AYUSCGFETDFLMZ-YKDSUIRESA-N 0 0 194.230 1.514 10 0 ADAERN Cc1ccsc1[C@@H](O)c1nc[nH]n1 87021549 573745784 /nfs/dbraw/zinc/74/57/84/573745784.db2.gz QPRMZFOPPUEMRL-ZCFIWIBFSA-N 0 0 195.247 1.256 10 0 ADAERN C[S@@](=O)c1ccc2c(c1)NCC2 238501516 573745786 /nfs/dbraw/zinc/74/57/86/573745786.db2.gz ZLEGCLGWBAJWPI-GFCCVEGCSA-N 0 0 181.260 1.392 10 0 ADAERN CC(=O)CCNc1cc[nH]c1 258903471 573747054 /nfs/dbraw/zinc/74/70/54/573747054.db2.gz LALDQZBCYRVKSB-UHFFFAOYSA-N 0 0 152.197 1.406 10 0 ADAERN Nc1coc(N2CCCCC2)n1 257864154 573747064 /nfs/dbraw/zinc/74/70/64/573747064.db2.gz GLDOBIDGWVMQEJ-UHFFFAOYSA-N 0 0 167.212 1.247 10 0 ADAERN Cc1nc(C)c([C@](C)(F)C[NH3+])s1 108300077 573747081 /nfs/dbraw/zinc/74/70/81/573747081.db2.gz VFXHJLCMWRTWCO-MRVPVSSYSA-N 0 0 188.271 1.903 10 0 ADAERN C1CC(CCNc2nnns2)C1 258900829 573747112 /nfs/dbraw/zinc/74/71/12/573747112.db2.gz HQDXPTAVTYAALJ-UHFFFAOYSA-N 0 0 184.268 1.535 10 0 ADAERN C[C@@H]1CC(=O)N(c2ccccc2O)O1 257863884 573747115 /nfs/dbraw/zinc/74/71/15/573747115.db2.gz RQQLDCIVYUHAJP-SSDOTTSWSA-N 0 0 193.202 1.449 10 0 ADAERN COc1cc([C@@H](F)CO)ccc1O 108298752 573747136 /nfs/dbraw/zinc/74/71/36/573747136.db2.gz LUTLEISVUAFNSB-ZETCQYMHSA-N 0 0 186.182 1.404 10 0 ADAERN O=C(CCO)Nc1cccs1 258902071 573747141 /nfs/dbraw/zinc/74/71/41/573747141.db2.gz RZBYXUIQDBJXAA-UHFFFAOYSA-N 0 0 171.221 1.069 10 0 ADAERN CC(C)c1cc([C@H](F)CO)n(C)n1 108298814 573747142 /nfs/dbraw/zinc/74/71/42/573747142.db2.gz VRSHFACQLFQKHM-SSDOTTSWSA-N 0 0 186.230 1.546 10 0 ADAERN C=CC(=O)N1C[C@H](C)CC[C@@H]1C 84047361 573747157 /nfs/dbraw/zinc/74/71/57/573747157.db2.gz GWQQVHKVGHFYNN-BDAKNGLRSA-N 0 0 167.252 1.819 10 0 ADAERN Cc1nn(C2CCC2)c(C)c1CCO 257863111 573747167 /nfs/dbraw/zinc/74/71/67/573747167.db2.gz RLACKYSAQNUNIU-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN O[C@H]1CCC[C@@H]1n1nccc1Cl 108299253 573747185 /nfs/dbraw/zinc/74/71/85/573747185.db2.gz HAOQNSJSSJMSRU-BQBZGAKWSA-N 0 0 186.642 1.622 10 0 ADAERN Nc1c(F)cccc1C[C@@H]1CCOC1 257863155 573747206 /nfs/dbraw/zinc/74/72/06/573747206.db2.gz RMMPQCRRPZLLOX-QMMMGPOBSA-N 0 0 195.237 1.987 10 0 ADAERN Cc1ccc(F)cc1[C@@H]1COC[C@H]1O 687966050 573747209 /nfs/dbraw/zinc/74/72/09/573747209.db2.gz XLUSQMRKCLYMDJ-WDEREUQCSA-N 0 0 196.221 1.609 10 0 ADAERN C=C(NC(C)=O)c1ccsc1 238064603 573747747 /nfs/dbraw/zinc/74/77/47/573747747.db2.gz KRMPMTWAZGZXDE-UHFFFAOYSA-N 0 0 167.233 1.855 10 0 ADAERN CC[C@@H](C)[C@H]1OCCCC1=O 205906441 573747229 /nfs/dbraw/zinc/74/72/29/573747229.db2.gz RTBHJBNFGACYRO-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN COc1ccc([C@@H](F)CO)c(F)c1 108299851 573747245 /nfs/dbraw/zinc/74/72/45/573747245.db2.gz BTNQILNTPMKIDY-VIFPVBQESA-N 0 0 188.173 1.837 10 0 ADAERN CN(Cc1cc(N)no1)c1cc[nH]c1 259174595 573747258 /nfs/dbraw/zinc/74/72/58/573747258.db2.gz HWXRBIUZUFRAPI-UHFFFAOYSA-N 0 0 192.222 1.221 10 0 ADAERN CCOc1ccncc1[C@H](CC)NN 308700788 573747260 /nfs/dbraw/zinc/74/72/60/573747260.db2.gz UXFSGSIYSYISID-VIFPVBQESA-N 0 0 195.266 1.395 10 0 ADAERN C[C@H]1CC[C@@H](C)C[N@H+]1C[C@@H](C)C(=O)[O-] 84049560 573747265 /nfs/dbraw/zinc/74/72/65/573747265.db2.gz MFZDGBVRLPINIW-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN COC1(C[C@H](O)C2=COCC2)CCC1 308701401 573747272 /nfs/dbraw/zinc/74/72/72/573747272.db2.gz VCMBKBAXCPUCDX-JTQLQIEISA-N 0 0 198.262 1.611 10 0 ADAERN CNc1nccnc1CC(C)C 84027856 573747291 /nfs/dbraw/zinc/74/72/91/573747291.db2.gz ZSDCXHQEAJRWHB-UHFFFAOYSA-N 0 0 165.240 1.717 10 0 ADAERN NCC(F)(F)c1ccc2c(c1)OCC2 257873224 573747303 /nfs/dbraw/zinc/74/73/03/573747303.db2.gz YOAWABWLXINXRH-UHFFFAOYSA-N 0 0 199.200 1.672 10 0 ADAERN CCCOCC[C@H](CCC)NN 127006911 573747307 /nfs/dbraw/zinc/74/73/07/573747307.db2.gz NBYHJBBCZONRQD-VIFPVBQESA-N 0 0 174.288 1.435 10 0 ADAERN C[C@H](O)[C@H]1CN(C)c2ccc(O)cc21 258115975 573747308 /nfs/dbraw/zinc/74/73/08/573747308.db2.gz OUYLMZLFFRGXBU-OIBJUYFYSA-N 0 0 193.246 1.306 10 0 ADAERN C/C=C\[C@H](O)C(=O)C(C)(C)C 221800719 573747327 /nfs/dbraw/zinc/74/73/27/573747327.db2.gz CVDDBKSGXKMBSN-RBSILHGTSA-N 0 0 156.225 1.539 10 0 ADAERN Nn1cnc(-c2ccc3c(c2)CCC3)c1 74215015 573747336 /nfs/dbraw/zinc/74/73/36/573747336.db2.gz WCRVRWJHJBMDIY-UHFFFAOYSA-N 0 0 199.257 1.753 10 0 ADAERN COC(C)(C)C[C@@H](O)c1ccc[nH]1 393561767 573747342 /nfs/dbraw/zinc/74/73/42/573747342.db2.gz FOITUUXNGQXCKP-SECBINFHSA-N 0 0 183.251 1.863 10 0 ADAERN Cc1cc(Cl)c(Cl)c(=O)[nH]1 238497276 573747356 /nfs/dbraw/zinc/74/73/56/573747356.db2.gz YVLBUCGFSNLNJI-UHFFFAOYSA-N 0 0 178.018 1.990 10 0 ADAERN Cn1nc(C=O)c2c1CCC[C@]2(C)F 257863760 573747365 /nfs/dbraw/zinc/74/73/65/573747365.db2.gz RNSBCNPIZJCYFK-JTQLQIEISA-N 0 0 196.225 1.754 10 0 ADAERN CC(C)(C)c1cnc2n1CC[C@H](O)C2 257863047 573747378 /nfs/dbraw/zinc/74/73/78/573747378.db2.gz RIDMAMFQSKGLER-QMMMGPOBSA-N 0 0 194.278 1.488 10 0 ADAERN CCc1ccccc1[C@H]1COC[C@@H]1O 687965936 573747385 /nfs/dbraw/zinc/74/73/85/573747385.db2.gz VRGVPCOKLAWJKO-NEPJUHHUSA-N 0 0 192.258 1.724 10 0 ADAERN CCNC(=O)C1=C(NC(C)C)CCC1 223492084 573747390 /nfs/dbraw/zinc/74/73/90/573747390.db2.gz HOUHWZZBADHLJP-UHFFFAOYSA-N 0 0 196.294 1.559 10 0 ADAERN CCC[C@H](NN)c1cnn(C)c1C 127014311 573747393 /nfs/dbraw/zinc/74/73/93/573747393.db2.gz DXNHWZZMPSJIAK-VIFPVBQESA-N 0 0 182.271 1.033 10 0 ADAERN CC(=O)c1cc2scnc2cn1 238065760 573747396 /nfs/dbraw/zinc/74/73/96/573747396.db2.gz HTEJMCTUVSPPDW-UHFFFAOYSA-N 0 0 178.216 1.894 10 0 ADAERN Cc1c(N)noc1-c1ccccc1O 257863167 573747403 /nfs/dbraw/zinc/74/74/03/573747403.db2.gz RMZUCZHMRHLFJZ-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CCCC(F)(F)[C@H](C)O 258422115 573747413 /nfs/dbraw/zinc/74/74/13/573747413.db2.gz CBFZONZDUFDHGA-YFKPBYRVSA-N 0 0 138.157 1.803 10 0 ADAERN Cc1cccc(Nc2nccnn2)c1 238498019 573747435 /nfs/dbraw/zinc/74/74/35/573747435.db2.gz HYOOVIMZPKYDKB-UHFFFAOYSA-N 0 0 186.218 1.924 10 0 ADAERN C[C@@]1(F)CCCC(=O)[C@@H]1F 238497753 573747471 /nfs/dbraw/zinc/74/74/71/573747471.db2.gz QYCCHPDRPXGDAC-NKWVEPMBSA-N 0 0 148.152 1.806 10 0 ADAERN Cc1cc(OC(N)=O)c(C)s1 238497493 573747479 /nfs/dbraw/zinc/74/74/79/573747479.db2.gz RULSHJBEPMNHSC-UHFFFAOYSA-N 0 0 171.221 1.822 10 0 ADAERN CCC[C@@H](CCc1ccncc1)NN 127035174 573747480 /nfs/dbraw/zinc/74/74/80/573747480.db2.gz BMQXDRWHCUGVTR-NSHDSACASA-N 0 0 193.294 1.646 10 0 ADAERN Cc1nccc(C(=O)C2CC2)n1 125030161 573747493 /nfs/dbraw/zinc/74/74/93/573747493.db2.gz FJNXVIUBKQDZCB-UHFFFAOYSA-N 0 0 162.192 1.378 10 0 ADAERN CCC[C@H](NN)c1scnc1C 126993996 573747498 /nfs/dbraw/zinc/74/74/98/573747498.db2.gz FXWNMLKQSASFEW-ZETCQYMHSA-N 0 0 185.296 1.756 10 0 ADAERN CC(=O)O[C@@H]1COc2ccncc21 238067926 573747516 /nfs/dbraw/zinc/74/75/16/573747516.db2.gz ZMHMWOLKCFROSX-SECBINFHSA-N 0 0 179.175 1.078 10 0 ADAERN CO/C=C\C/C=C/NC(=O)OC 214838442 573747529 /nfs/dbraw/zinc/74/75/29/573747529.db2.gz CNMGXHICCXNAAA-GUBXDBFYSA-N 0 0 171.196 1.406 10 0 ADAERN CC(=O)N[C@@]12CC=C[C@@H](CCC1)C2=O 238062819 573747532 /nfs/dbraw/zinc/74/75/32/573747532.db2.gz HYDOBXPYKXXVSJ-ONGXEEELSA-N 0 0 193.246 1.190 10 0 ADAERN Cc1cc(OC(F)F)nc(C)c1N 238497400 573747552 /nfs/dbraw/zinc/74/75/52/573747552.db2.gz NIXJRPSQAPJJBX-UHFFFAOYSA-N 0 0 188.177 1.882 10 0 ADAERN CNc1nc(C)c(C)nc1C 84028032 573747556 /nfs/dbraw/zinc/74/75/56/573747556.db2.gz QFYHNPYYOBKAQI-UHFFFAOYSA-N 0 0 151.213 1.444 10 0 ADAERN C[C@@]1(F)CCC[C@@H]1O 238497878 573747560 /nfs/dbraw/zinc/74/75/60/573747560.db2.gz NHZTYERKPKNWIL-NTSWFWBYSA-N 0 0 118.151 1.259 10 0 ADAERN COC(C[C@@]1(C)N=C(C)C=CN1)OC 238341192 573747561 /nfs/dbraw/zinc/74/75/61/573747561.db2.gz ICUHTJXGWXYZEW-SNVBAGLBSA-N 0 0 198.266 1.289 10 0 ADAERN CC(=O)C1=N[C@H]1c1ccccc1 238067677 573747563 /nfs/dbraw/zinc/74/75/63/573747563.db2.gz XYPAFJIQJKSMPN-JTQLQIEISA-N 0 0 159.188 1.771 10 0 ADAERN CCC[C@H](NN)c1coc(C)c1 127018786 573747565 /nfs/dbraw/zinc/74/75/65/573747565.db2.gz GDZQPYHZDVCYQU-VIFPVBQESA-N 0 0 168.240 1.893 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)N=CN2 238496934 573747569 /nfs/dbraw/zinc/74/75/69/573747569.db2.gz YNPINFQVXHBUDL-VIFPVBQESA-N 0 0 162.192 1.249 10 0 ADAERN C/C=C/[C@H]1OC(C)(C)O[C@@]1(C)CO 238063805 573747586 /nfs/dbraw/zinc/74/75/86/573747586.db2.gz RCBZXXNEQLDJHU-BKWSBRGOSA-N 0 0 186.251 1.465 10 0 ADAERN Cn1nc(C=O)c2c1CCC[C@@]2(C)F 257863761 573747595 /nfs/dbraw/zinc/74/75/95/573747595.db2.gz RNSBCNPIZJCYFK-SNVBAGLBSA-N 0 0 196.225 1.754 10 0 ADAERN CNCC(F)(F)c1ccco1 257863848 573747675 /nfs/dbraw/zinc/74/76/75/573747675.db2.gz WHEQGIWHABZZOE-UHFFFAOYSA-N 0 0 161.151 1.591 10 0 ADAERN COCCCCn1ccc(CO)c1 131072566 573747682 /nfs/dbraw/zinc/74/76/82/573747682.db2.gz VEZASQIBBSMVOC-UHFFFAOYSA-N 0 0 183.251 1.407 10 0 ADAERN CN[C@@H]([C@H]1CCCO1)C(F)(F)F 97989796 573747699 /nfs/dbraw/zinc/74/76/99/573747699.db2.gz LTXUFIINVYTSGJ-RITPCOANSA-N 0 0 183.173 1.316 10 0 ADAERN C[C@@]1([C@@H]2CCCSC2)CNC(=O)C1 257862556 573747707 /nfs/dbraw/zinc/74/77/07/573747707.db2.gz OXLJBNOXTTVVAA-SCZZXKLOSA-N 0 0 199.319 1.656 10 0 ADAERN CNC(=O)c1cc2c(cc1C)OCO2 223538042 573747709 /nfs/dbraw/zinc/74/77/09/573747709.db2.gz IVOJQWBASNBJET-UHFFFAOYSA-N 0 0 193.202 1.083 10 0 ADAERN CCCOCCCNC(=O)OCC 131069644 573747716 /nfs/dbraw/zinc/74/77/16/573747716.db2.gz NVDRTBLDYVYGKS-UHFFFAOYSA-N 0 0 189.255 1.549 10 0 ADAERN Cc1cccc(C[S@@](C)=O)c1O 238497208 573747719 /nfs/dbraw/zinc/74/77/19/573747719.db2.gz ODPOCCXCMLPTKL-GFCCVEGCSA-N 0 0 184.260 1.579 10 0 ADAERN Cc1ccc2c(n1)C(=O)CCCN2 238498279 573747727 /nfs/dbraw/zinc/74/77/27/573747727.db2.gz XXGPHZTVNJSBHW-UHFFFAOYSA-N 0 0 176.219 1.778 10 0 ADAERN CCC[C@H](NN)[C@@H]1CCO[C@@H]1C 126997659 573750742 /nfs/dbraw/zinc/75/07/42/573750742.db2.gz ZEODOPAADMXJRM-HLTSFMKQSA-N 0 0 172.272 1.043 10 0 ADAERN Cc1cc(F)ccc1[C@H](C[NH3+])C(=O)[O-] 108307801 573749952 /nfs/dbraw/zinc/74/99/52/573749952.db2.gz QHHJXKRBWBQRJP-VIFPVBQESA-N 0 0 197.209 1.261 10 0 ADAERN COCCCCn1ccc(C=O)c1 131070195 573749955 /nfs/dbraw/zinc/74/99/55/573749955.db2.gz MREXBZVVQXRWLK-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN Cc1ccccc1Cc1ccc(N)nn1 74215049 573749961 /nfs/dbraw/zinc/74/99/61/573749961.db2.gz QDRJTAKBOSRCCC-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN C=C/C=C/[C@@]1(C)C[C@@H]1CO 238497348 573749981 /nfs/dbraw/zinc/74/99/81/573749981.db2.gz KSGMUWNFUPMBBS-VJIGKBMESA-N 0 0 138.210 1.747 10 0 ADAERN Cc1ccsc1[C@@H]1CN(C)C(=O)N1 259619620 573749989 /nfs/dbraw/zinc/74/99/89/573749989.db2.gz XMXXPBULVVKOTK-ZETCQYMHSA-N 0 0 196.275 1.753 10 0 ADAERN CCCOCC[C@@H](CCC)NN 127007145 573749990 /nfs/dbraw/zinc/74/99/90/573749990.db2.gz NBYHJBBCZONRQD-SECBINFHSA-N 0 0 174.288 1.435 10 0 ADAERN C[C@]12CC[C@@H]1[C@@](C)(O)C(=O)C2 238498262 573750022 /nfs/dbraw/zinc/75/00/22/573750022.db2.gz ZXVGXZKHMPKIOK-NBEYISGCSA-N 0 0 154.209 1.127 10 0 ADAERN CCC[C@@H](NN)[C@@H](C)C(C)C 127027664 573750064 /nfs/dbraw/zinc/75/00/64/573750064.db2.gz SGEUNELPZUFGDS-DTWKUNHWSA-N 0 0 158.289 1.911 10 0 ADAERN O=C([O-])[C@@H]1[C@@H]2C[C@@H]2C[N@@H+]1C1CCCC1 257865429 573750087 /nfs/dbraw/zinc/75/00/87/573750087.db2.gz RXCMHBDHMDUXHW-QNSHHTMESA-N 0 0 195.262 1.334 10 0 ADAERN COC(=O)[C@H](ON)c1ccccc1C 257865436 573750112 /nfs/dbraw/zinc/75/01/12/573750112.db2.gz RXIIHOOYOBFXMJ-SECBINFHSA-N 0 0 195.218 1.099 10 0 ADAERN CC(=O)N[C@]12CCCC[C@@H]1CC2 238062678 573750120 /nfs/dbraw/zinc/75/01/20/573750120.db2.gz MQGRUGCKIHTUIB-ZJUUUORDSA-N 0 0 167.252 1.845 10 0 ADAERN C/C=C1/C=C(C)C2(CC2)[C@@](C)(O)[C@@H]1O 238076885 573750138 /nfs/dbraw/zinc/75/01/38/573750138.db2.gz SBQQUUWVEIZPIM-BMMYIHMSSA-N 0 0 194.274 1.785 10 0 ADAERN Cc1cc2c(C(N)=O)nccc2o1 238497083 573750151 /nfs/dbraw/zinc/75/01/51/573750151.db2.gz AFGAIPZKKVKMIA-UHFFFAOYSA-N 0 0 176.175 1.235 10 0 ADAERN C[C@H](O)[C@H]1CCCCCC1=O 143320597 573750159 /nfs/dbraw/zinc/75/01/59/573750159.db2.gz MPIYNLAFIPTJCU-JGVFFNPUSA-N 0 0 156.225 1.517 10 0 ADAERN CSc1nc(N)c2c(n1)OCCC2 108308037 573750191 /nfs/dbraw/zinc/75/01/91/573750191.db2.gz MGNFRUDOJLEGGK-UHFFFAOYSA-N 0 0 197.263 1.106 10 0 ADAERN CC[C@@H]1CSC[C@@H]1O 122464869 573750206 /nfs/dbraw/zinc/75/02/06/573750206.db2.gz OQXLDTAMAANFSQ-RITPCOANSA-N 0 0 132.228 1.120 10 0 ADAERN CCC[C@@H](CCOCC)NN 127033774 573750207 /nfs/dbraw/zinc/75/02/07/573750207.db2.gz GNEAUULZOKPXJH-QMMMGPOBSA-N 0 0 160.261 1.045 10 0 ADAERN COC(=O)C(F)(F)[C@H]1CCCS1 257873721 573750212 /nfs/dbraw/zinc/75/02/12/573750212.db2.gz UEHHENZXENJOSF-RXMQYKEDSA-N 0 0 196.218 1.690 10 0 ADAERN C[C@]1(F)C(=O)CCC[C@H]1F 238498050 573750217 /nfs/dbraw/zinc/75/02/17/573750217.db2.gz HIYIUZWCPPLWBQ-IYSWYEEDSA-N 0 0 148.152 1.806 10 0 ADAERN FC1(F)CCCN[C@@]12CCSC2 258908561 573750244 /nfs/dbraw/zinc/75/02/44/573750244.db2.gz ORAYNDZJLNREJA-SSDOTTSWSA-N 0 0 193.262 1.881 10 0 ADAERN Cc1oc(N)nc1-c1cccc(O)c1 257873557 573750290 /nfs/dbraw/zinc/75/02/90/573750290.db2.gz UBFZYYBFBRLSTG-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CN1N=CC(=O)C1c1cccc(O)c1 257864429 573750334 /nfs/dbraw/zinc/75/03/34/573750334.db2.gz RRRHDMUWTNFBDU-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN Nc1cncc(NCC(F)F)c1 122458500 573750366 /nfs/dbraw/zinc/75/03/66/573750366.db2.gz XLCCWFZXJARLRA-UHFFFAOYSA-N 0 0 173.166 1.341 10 0 ADAERN CC(C)Sc1ncc(N)o1 257865041 573750369 /nfs/dbraw/zinc/75/03/69/573750369.db2.gz GPKHMXVLWDYDLM-UHFFFAOYSA-N 0 0 158.226 1.757 10 0 ADAERN Cc1ccc2c(n1)NCCC(=S)N2 238497857 573750371 /nfs/dbraw/zinc/75/03/71/573750371.db2.gz OFFCXQMHLLNHHA-UHFFFAOYSA-N 0 0 193.275 1.945 10 0 ADAERN O=C1CCCCCC[C@H]1CO 143337436 573750447 /nfs/dbraw/zinc/75/04/47/573750447.db2.gz NVNKIMUXFNKBKN-QMMMGPOBSA-N 0 0 156.225 1.518 10 0 ADAERN Cc1sc(C2CC2)nc1C[NH3+] 238498207 573750461 /nfs/dbraw/zinc/75/04/61/573750461.db2.gz JABNHQICCWRMGX-UHFFFAOYSA-N 0 0 168.265 1.788 10 0 ADAERN C[C@](F)(C[NH3+])c1ccc2c(c1)OCO2 108307796 573750462 /nfs/dbraw/zinc/75/04/62/573750462.db2.gz CRZHPBWTSKFLJA-JTQLQIEISA-N 0 0 197.209 1.559 10 0 ADAERN Oc1ccc(OCc2ncco2)cc1 257865070 573750500 /nfs/dbraw/zinc/75/05/00/573750500.db2.gz GQSRDVBGFJSTGK-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN C[C@@]1(F)CCC[C@H](F)C1=O 238497924 573750516 /nfs/dbraw/zinc/75/05/16/573750516.db2.gz BDELRVLXESPTSR-CAHLUQPWSA-N 0 0 148.152 1.806 10 0 ADAERN CCC[C@@H]1CC(=O)[C@H](CO)C1 143311342 573750549 /nfs/dbraw/zinc/75/05/49/573750549.db2.gz SOQLMLQOJHYGOB-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1c(O)cc2c(c1C)OCC2=O 238497128 573750557 /nfs/dbraw/zinc/75/05/57/573750557.db2.gz GSHJMXSQQVDESJ-UHFFFAOYSA-N 0 0 178.187 1.584 10 0 ADAERN CN1C=Cc2ccccc2[C@H]1O 143325027 573750571 /nfs/dbraw/zinc/75/05/71/573750571.db2.gz ILSQXXALVLEOAO-SNVBAGLBSA-N 0 0 161.204 1.594 10 0 ADAERN CC(C)[C@H]1C[C@@H](CO)[C@H](O)C1 143339291 573750583 /nfs/dbraw/zinc/75/05/83/573750583.db2.gz ZSWACVWJZPYYTD-XHNCKOQMSA-N 0 0 158.241 1.022 10 0 ADAERN Cc1c(CO)cc(C(F)F)nc1F 238497671 573750609 /nfs/dbraw/zinc/75/06/09/573750609.db2.gz UTMAFLHUWIWIPK-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(C)[C@]1(CO)CCCC[C@@H]1O 143317717 573750633 /nfs/dbraw/zinc/75/06/33/573750633.db2.gz ACROBIRWYHRIQE-VHSXEESVSA-N 0 0 172.268 1.556 10 0 ADAERN CCC[C@H](NN)c1cc(C)nn1CC 127021374 573750640 /nfs/dbraw/zinc/75/06/40/573750640.db2.gz LQQHJCLGSDVDPQ-VIFPVBQESA-N 0 0 196.298 1.516 10 0 ADAERN CC(C)(C)[C@@H]1CCON1 257864806 573750644 /nfs/dbraw/zinc/75/06/44/573750644.db2.gz WRBBZPRYTFKSNS-LURJTMIESA-N 0 0 129.203 1.326 10 0 ADAERN COC(=O)c1noc(N)c1C1CCC1 257873639 573750649 /nfs/dbraw/zinc/75/06/49/573750649.db2.gz UCNURUSQJATBQY-UHFFFAOYSA-N 0 0 196.206 1.311 10 0 ADAERN C=C(NC(C)=O)c1cccc(F)c1 238064405 573750651 /nfs/dbraw/zinc/75/06/51/573750651.db2.gz MFYDQRWNSCYTIX-UHFFFAOYSA-N 0 0 179.194 1.933 10 0 ADAERN Cc1cc(F)ccc1[C@@H](C[NH3+])C(=O)[O-] 108307799 573750665 /nfs/dbraw/zinc/75/06/65/573750665.db2.gz QHHJXKRBWBQRJP-SECBINFHSA-N 0 0 197.209 1.261 10 0 ADAERN C[C@@H]1COCC[N@@H+]1C1CCC(O)CC1 108311226 573750674 /nfs/dbraw/zinc/75/06/74/573750674.db2.gz DXMDIGAWLPCUFO-KPPDAEKUSA-N 0 0 199.294 1.011 10 0 ADAERN O=c1ccccc(Cl)c1 238496742 573750687 /nfs/dbraw/zinc/75/06/87/573750687.db2.gz BZLBVXVNSWLFLO-UHFFFAOYSA-N 0 0 140.569 1.700 10 0 ADAERN C[C@H]1CC[C@@H](C)[N@H+](C/C=C/C(=O)[O-])C1 84049809 573750696 /nfs/dbraw/zinc/75/06/96/573750696.db2.gz CMXURDURHINLIJ-FCVPOFOPSA-N 0 0 197.278 1.748 10 0 ADAERN COC(=O)c1cc2c(o1)COCC2 259565126 573754059 /nfs/dbraw/zinc/75/40/59/573754059.db2.gz IRHDAMSWKYMFGA-UHFFFAOYSA-N 0 0 182.175 1.139 10 0 ADAERN CC(=O)C[C@@H]1CCCOCC1 143441315 573754070 /nfs/dbraw/zinc/75/40/70/573754070.db2.gz IHFXGCHUVPWAKJ-SECBINFHSA-N 0 0 156.225 1.782 10 0 ADAERN Cc1cnc(C(F)(F)F)cc1CO 238499001 573754072 /nfs/dbraw/zinc/75/40/72/573754072.db2.gz YYVLVCCIODATNO-UHFFFAOYSA-N 0 0 191.152 1.901 10 0 ADAERN FC1(F)CCCN[C@]12CCSC2 258908571 573754077 /nfs/dbraw/zinc/75/40/77/573754077.db2.gz ORAYNDZJLNREJA-ZETCQYMHSA-N 0 0 193.262 1.881 10 0 ADAERN CC(=O)[C@H]1CC[C@H](F)C1 238078340 573754088 /nfs/dbraw/zinc/75/40/88/573754088.db2.gz PSZKPKIZLJNKOP-BQBZGAKWSA-N 0 0 130.162 1.714 10 0 ADAERN CCOCc1nsc(Cl)n1 84065492 573754093 /nfs/dbraw/zinc/75/40/93/573754093.db2.gz DWBQEAYCTXTOOV-UHFFFAOYSA-N 0 0 178.644 1.728 10 0 ADAERN CCc1nc(N)nc2cc(F)ccc12 257873559 573754098 /nfs/dbraw/zinc/75/40/98/573754098.db2.gz UBKBBLQOSPBDTP-UHFFFAOYSA-N 0 0 191.209 1.914 10 0 ADAERN Cc1c(F)ncc(C(F)F)c1CO 238498503 573754107 /nfs/dbraw/zinc/75/41/07/573754107.db2.gz QTHOVVQIEZIEKU-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(=O)NC(=S)Oc1ccccc1 238068510 573754110 /nfs/dbraw/zinc/75/41/10/573754110.db2.gz WGHLEDVWAWRBLB-UHFFFAOYSA-N 0 0 195.243 1.486 10 0 ADAERN CC1C[NH+]([C@@H]2CC[C@@H](CC(=O)[O-])C2)C1 108308156 573753279 /nfs/dbraw/zinc/75/32/79/573753279.db2.gz HFIRHPDKEIQSQW-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN CCOC[C@@H](O)c1ccco1 84063544 573753290 /nfs/dbraw/zinc/75/32/90/573753290.db2.gz GINRQQOCCYAILE-SSDOTTSWSA-N 0 0 156.181 1.350 10 0 ADAERN CCOCc1nc(C)c(C)c(N)n1 84065081 573753298 /nfs/dbraw/zinc/75/32/98/573753298.db2.gz QCAQMNZQUQFEKV-UHFFFAOYSA-N 0 0 181.239 1.212 10 0 ADAERN Cc1cc(S(C)(=O)=O)cc(C)c1N 238499808 573754126 /nfs/dbraw/zinc/75/41/26/573754126.db2.gz KBZAPDXPRWOHGV-UHFFFAOYSA-N 0 0 199.275 1.289 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)N(C)CC2 257865818 573753312 /nfs/dbraw/zinc/75/33/12/573753312.db2.gz HPEPNOOMKODUOP-SECBINFHSA-N 0 0 191.274 1.775 10 0 ADAERN C[C@]12CC(=O)CC[C@@H]1CC(=O)C2 238499395 573753313 /nfs/dbraw/zinc/75/33/13/573753313.db2.gz DJSDIKMYAVWZHK-GMSGAONNSA-N 0 0 166.220 1.725 10 0 ADAERN OC1CCC(CNc2cc[nH]c2)CC1 258908897 573753318 /nfs/dbraw/zinc/75/33/18/573753318.db2.gz LWDQTMUOCYWNTR-UHFFFAOYSA-N 0 0 194.278 1.978 10 0 ADAERN CC[C@H]1COC[C@@]1(O)c1cscn1 687952115 573753328 /nfs/dbraw/zinc/75/33/28/573753328.db2.gz AJDGZTKQJGWNTM-CBAPKCEASA-N 0 0 199.275 1.387 10 0 ADAERN C[C@@]1(O)C/C=C/C=CCC1=O 238499285 573754129 /nfs/dbraw/zinc/75/41/29/573754129.db2.gz OJXXKDPXDILIJH-XOPKLJGDSA-N 0 0 152.193 1.213 10 0 ADAERN Cc1ccccc1-c1noc(N)c1N 98101401 573753344 /nfs/dbraw/zinc/75/33/44/573753344.db2.gz AJYOLSPMCLIJSL-UHFFFAOYSA-N 0 0 189.218 1.814 10 0 ADAERN CC(=O)[C@H]1C(C)=C(C)C[C@@]1(C)O 238068243 573753345 /nfs/dbraw/zinc/75/33/45/573753345.db2.gz XHUGCLVEEJXLBO-NXEZZACHSA-N 0 0 168.236 1.683 10 0 ADAERN CC(=O)[C@H]1CC[C@]1(C)F 238078897 573753354 /nfs/dbraw/zinc/75/33/54/573753354.db2.gz OAIGBFGSMYQFGT-RQJHMYQMSA-N 0 0 130.162 1.714 10 0 ADAERN C/C=C/c1nnc([C@H](N)C(C)C)o1 238068543 573753363 /nfs/dbraw/zinc/75/33/63/573753363.db2.gz TXYJOCQEZZHIAF-WTSVBCDHSA-N 0 0 181.239 1.759 10 0 ADAERN Cc1cnn(CC(=O)OC(C)(C)C)c1 143321426 573753407 /nfs/dbraw/zinc/75/34/07/573753407.db2.gz QBEWGUHMYMPZDW-UHFFFAOYSA-N 0 0 196.250 1.533 10 0 ADAERN CC(=O)NC(=S)SC(C)(C)C 238068553 573753408 /nfs/dbraw/zinc/75/34/08/573753408.db2.gz YEOOFAJEAZARTP-UHFFFAOYSA-N 0 0 191.321 1.939 10 0 ADAERN C[C@@]1([C@H]2CCCCC2=O)CO1 238499157 573753413 /nfs/dbraw/zinc/75/34/13/573753413.db2.gz NFOOQIWRGSQIRE-CBAPKCEASA-N 0 0 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573760160 /nfs/dbraw/zinc/76/01/60/573760160.db2.gz ZENXPOIGWOZKAH-SECBINFHSA-N 0 0 162.192 1.249 10 0 ADAERN CC(C)(C)c1cc(N)cnn1 258120825 573760179 /nfs/dbraw/zinc/76/01/79/573760179.db2.gz ZMAUWTLMJUPOAB-UHFFFAOYSA-N 0 0 151.213 1.356 10 0 ADAERN C[C@]12CCCC(=O)[C@@]1(C)C(=O)O2 238506436 573760186 /nfs/dbraw/zinc/76/01/86/573760186.db2.gz YVJBVXNMBGAKOD-IUCAKERBSA-N 0 0 168.192 1.061 10 0 ADAERN CC(C)c1cc(=O)[nH]c(C=O)n1 108332134 573760196 /nfs/dbraw/zinc/76/01/96/573760196.db2.gz GPAZHTWDDRLQGJ-UHFFFAOYSA-N 0 0 166.180 1.118 10 0 ADAERN CC(C)[C@@H](CC1CC[NH2+]CC1)C(=O)[O-] 258119833 573760209 /nfs/dbraw/zinc/76/02/09/573760209.db2.gz PIEBXYLERZVJLO-SNVBAGLBSA-N 0 0 199.294 1.733 10 0 ADAERN ONCc1cccc(OC2CC2)c1 258120225 573760219 /nfs/dbraw/zinc/76/02/19/573760219.db2.gz ZWOJSTSZVZMUGR-UHFFFAOYSA-N 0 0 179.219 1.707 10 0 ADAERN CC(=O)C(C)(C)/C=C/[C@H]1O[C@@H]1C 238505104 573760668 /nfs/dbraw/zinc/76/06/68/573760668.db2.gz KCXVXWAVEMETPG-VZRAIFRISA-N 0 0 168.236 1.945 10 0 ADAERN CC(=O)C[C@]1(C)O[C@@H]1C 238505766 573760237 /nfs/dbraw/zinc/76/02/37/573760237.db2.gz BXBBTNLFAHKVPU-RQJHMYQMSA-N 0 0 128.171 1.143 10 0 ADAERN Cn1nc([C@@]2(C)CCCOC2)cc1N 258119911 573760243 /nfs/dbraw/zinc/76/02/43/573760243.db2.gz PJBAAULIPCWNOW-JTQLQIEISA-N 0 0 195.266 1.070 10 0 ADAERN COc1cc(NCC[C@H](C)O)ccn1 127062914 573760256 /nfs/dbraw/zinc/76/02/56/573760256.db2.gz YNXHJIWKJGYIDL-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN C/C=C/C=C\OCCCO 214829074 573760284 /nfs/dbraw/zinc/76/02/84/573760284.db2.gz DYFLTLSMCGRMTL-SWBALALESA-N 0 0 142.198 1.475 10 0 ADAERN NOCc1ccc2oc(=O)sc2c1 258121176 573760294 /nfs/dbraw/zinc/76/02/94/573760294.db2.gz QPIHDYCHWLHNDN-UHFFFAOYSA-N 0 0 197.215 1.245 10 0 ADAERN C[C@@H](O)c1nc2c(F)c(F)ccc2[nH]1 76079509 573760300 /nfs/dbraw/zinc/76/03/00/573760300.db2.gz NOKOURSZRQLJPD-SCSAIBSYSA-N 0 0 198.172 1.894 10 0 ADAERN CSc1nnc(C2CCC2)[nH]1 108332896 573760308 /nfs/dbraw/zinc/76/03/08/573760308.db2.gz GUILSIZZPKNMAZ-UHFFFAOYSA-N 0 0 169.253 1.794 10 0 ADAERN C[S@](=O)[C@@]1(C)CCCCC1=O 238505971 573760311 /nfs/dbraw/zinc/76/03/11/573760311.db2.gz LVLQJCQAXMMHPB-KWQFWETISA-N 0 0 174.265 1.267 10 0 ADAERN Cc1cc([C@@H](C)N[C@@H]2C[C@@H]2CO)no1 308696735 573760312 /nfs/dbraw/zinc/76/03/12/573760312.db2.gz RTRKVPZDPQERNI-NQMVMOMDSA-N 0 0 196.250 1.014 10 0 ADAERN COc1cc(NCC[C@@H](C)O)ccn1 127063125 573760314 /nfs/dbraw/zinc/76/03/14/573760314.db2.gz YNXHJIWKJGYIDL-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN CC(=O)CCN1CC[C@H](C)CC1=O 108336300 573760318 /nfs/dbraw/zinc/76/03/18/573760318.db2.gz AOFSLDGFWUFGKB-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1cc(C)c(F)c(CON)c1 258120089 573760319 /nfs/dbraw/zinc/76/03/19/573760319.db2.gz ZUZTWKQHJHAFOZ-UHFFFAOYSA-N 0 0 169.199 1.833 10 0 ADAERN O[C@H](COc1cccnc1)C1CCC1 258119100 573760324 /nfs/dbraw/zinc/76/03/24/573760324.db2.gz FVGUAUBJECWMHN-LLVKDONJSA-N 0 0 193.246 1.621 10 0 ADAERN OC[C@@H](F)c1ccc(O)cc1F 257869170 573760333 /nfs/dbraw/zinc/76/03/33/573760333.db2.gz XWTYBULWWVYYMR-MRVPVSSYSA-N 0 0 174.146 1.534 10 0 ADAERN CN(C[NH3+])c1ccc(F)cc1F 258915078 573760338 /nfs/dbraw/zinc/76/03/38/573760338.db2.gz PTKWUUDQPDFWCY-UHFFFAOYSA-N 0 0 172.178 1.317 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2c(F)cccc2N1C 258120526 573760339 /nfs/dbraw/zinc/76/03/39/573760339.db2.gz JPDYGXKBNJRSBZ-HQJQHLMTSA-N 0 0 195.237 1.567 10 0 ADAERN Cc1cc([C@@H]2CCC(=O)N2)ccc1O 238506179 573760346 /nfs/dbraw/zinc/76/03/46/573760346.db2.gz XJJDFFXGDYPYOL-VIFPVBQESA-N 0 0 191.230 1.652 10 0 ADAERN COC[C@@]1(O)CCc2c(O)cccc21 257870232 573760349 /nfs/dbraw/zinc/76/03/49/573760349.db2.gz STORQKZWEDEJNT-NSHDSACASA-N 0 0 194.230 1.172 10 0 ADAERN COc1c(CCO)cnn1CC(C)C 257869294 573760354 /nfs/dbraw/zinc/76/03/54/573760354.db2.gz DLXNHUIAAOEJCP-UHFFFAOYSA-N 0 0 198.266 1.083 10 0 ADAERN OCCc1ccc2c(c1)NCCCC2 257870291 573760360 /nfs/dbraw/zinc/76/03/60/573760360.db2.gz SVVBOVWNCQFOCS-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN O=C(Nc1cccs1)C1(CO)CC1 258909368 573760368 /nfs/dbraw/zinc/76/03/68/573760368.db2.gz JJEQUKGTJNUVPP-UHFFFAOYSA-N 0 0 197.259 1.459 10 0 ADAERN Cn1cc(Cc2ccccc2)[nH]c1=O 143450316 573760373 /nfs/dbraw/zinc/76/03/73/573760373.db2.gz CNAJZODCFJFQDP-UHFFFAOYSA-N 0 0 188.230 1.304 10 0 ADAERN CC(=O)[C@H]1O[C@H](C)C1(C)C 238506317 573760379 /nfs/dbraw/zinc/76/03/79/573760379.db2.gz IBWMLRUQBJLDPE-RNFRBKRXSA-N 0 0 142.198 1.389 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C[C@H]1C(C)(C)C 257869027 573760383 /nfs/dbraw/zinc/76/03/83/573760383.db2.gz SPXZUDCKVLLTAP-VIFPVBQESA-N 0 0 197.278 1.748 10 0 ADAERN Nc1ccccc1[C@]1(O)CCSC1 257869064 573760397 /nfs/dbraw/zinc/76/03/97/573760397.db2.gz SRLQLXCWMJODFD-JTQLQIEISA-N 0 0 195.287 1.593 10 0 ADAERN Cc1cc(Cl)cc2c1C(=O)NC2 238506084 573760411 /nfs/dbraw/zinc/76/04/11/573760411.db2.gz OPNFUNLCYWVDDO-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN Cc1cnc(OC(C)C)o1 257868447 573760420 /nfs/dbraw/zinc/76/04/20/573760420.db2.gz HPZOGDZEWFFBLQ-UHFFFAOYSA-N 0 0 141.170 1.770 10 0 ADAERN [NH3+]Cc1cc(Cl)ccc1C(=O)[O-] 259620242 573760422 /nfs/dbraw/zinc/76/04/22/573760422.db2.gz FDZJUGADFDEVDP-UHFFFAOYSA-N 0 0 185.610 1.497 10 0 ADAERN C[S@](=O)Cc1ccccc1CO 238505438 573760432 /nfs/dbraw/zinc/76/04/32/573760432.db2.gz FDHNGFKNMZQTHM-LBPRGKRZSA-N 0 0 184.260 1.057 10 0 ADAERN CO[C@@H](c1ccc(F)cc1)[C@H](C)O 143449353 573760433 /nfs/dbraw/zinc/76/04/33/573760433.db2.gz WIYGKSCYHGDXLU-OIBJUYFYSA-N 0 0 184.210 1.894 10 0 ADAERN C[C@]12CCCC(=O)[C@@H]1CC[C@@H]2O 238506322 573760453 /nfs/dbraw/zinc/76/04/53/573760453.db2.gz FKMAXYXDRSOIBS-HGNGGELXSA-N 0 0 168.236 1.517 10 0 ADAERN C[C@@H]1O[C@H](C)[C@@H](O)c2ccc(O)cc21 238505527 573760459 /nfs/dbraw/zinc/76/04/59/573760459.db2.gz CANRTTQTDIEDHK-MVKOHCKWSA-N 0 0 194.230 1.905 10 0 ADAERN C[C@@H]1CC(=O)N(c2ccc(O)cc2)N1 257870280 573760461 /nfs/dbraw/zinc/76/04/61/573760461.db2.gz SVQSLXAYKDWWLX-SSDOTTSWSA-N 0 0 192.218 1.022 10 0 ADAERN CC(C)[C@@H](CO)N(C)c1ccc[nH]1 258911734 573760462 /nfs/dbraw/zinc/76/04/62/573760462.db2.gz SVCRIGCESLUVKL-SECBINFHSA-N 0 0 182.267 1.468 10 0 ADAERN C[C@@H](CC(=O)[O-])C[N@H+](C)C1CCC1 258911945 573760466 /nfs/dbraw/zinc/76/04/66/573760466.db2.gz PKLWWPWTFIJCDX-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CC1=NC(=O)Nc2ccccc2N1 238505492 573760475 /nfs/dbraw/zinc/76/04/75/573760475.db2.gz PMJPSUIGMOOPSC-UHFFFAOYSA-N 0 0 175.191 1.885 10 0 ADAERN CC(C)SCc1cc(N)n[nH]1 257869585 573760487 /nfs/dbraw/zinc/76/04/87/573760487.db2.gz DWRURBUJXXPJGM-UHFFFAOYSA-N 0 0 171.269 1.634 10 0 ADAERN O=C1C[C@H](c2ncccc2Cl)CN1 238506596 573760537 /nfs/dbraw/zinc/76/05/37/573760537.db2.gz UTJYLXCTYZBJQS-LURJTMIESA-N 0 0 196.637 1.339 10 0 ADAERN Cc1ccc2c(c1C(=O)[O-])OC[C@H]2[NH3+] 238506583 573760548 /nfs/dbraw/zinc/76/05/48/573760548.db2.gz WDTUWMGDNPBFDZ-SSDOTTSWSA-N 0 0 193.202 1.085 10 0 ADAERN Cc1cc([S@](C)=O)cc(C)c1O 238506472 573760580 /nfs/dbraw/zinc/76/05/80/573760580.db2.gz FSMDMRDJWUQRQD-LBPRGKRZSA-N 0 0 184.260 1.746 10 0 ADAERN CCc1cc(-n2cccn2)nc(C)n1 84082447 573760588 /nfs/dbraw/zinc/76/05/88/573760588.db2.gz UDUJNOJSCOBEKH-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN C[C@]12CCCC(=O)[C@@H]1CC2=O 238506234 573760606 /nfs/dbraw/zinc/76/06/06/573760606.db2.gz WRWIIYSOZISCBT-RCOVLWMOSA-N 0 0 152.193 1.335 10 0 ADAERN CO[C@@H](c1ccc(F)cc1)[C@@H](C)O 143449009 573760637 /nfs/dbraw/zinc/76/06/37/573760637.db2.gz WIYGKSCYHGDXLU-GMSGAONNSA-N 0 0 184.210 1.894 10 0 ADAERN CNOc1ccc(Cl)o1 257868669 573760638 /nfs/dbraw/zinc/76/06/38/573760638.db2.gz CQKTUMZLJACNJZ-UHFFFAOYSA-N 0 0 147.561 1.446 10 0 ADAERN Cc1ncc([C@](C)(O)C2CC2)s1 642819213 573760640 /nfs/dbraw/zinc/76/06/40/573760640.db2.gz AFSPDLLMSYNGLS-SECBINFHSA-N 0 0 182.268 1.957 10 0 ADAERN CC(=O)[C@]1(C)O[C@H](C)C1(C)C 238505338 573760645 /nfs/dbraw/zinc/76/06/45/573760645.db2.gz DNLAGXVAUGBIKJ-APPZFPTMSA-N 0 0 156.225 1.779 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2ccccc2)n1 143436112 573759920 /nfs/dbraw/zinc/75/99/20/573759920.db2.gz SCMYNNBZYBKKEV-JTQLQIEISA-N 0 0 188.230 1.800 10 0 ADAERN COc1c(C)ccc(CON)c1OC 258123954 573764352 /nfs/dbraw/zinc/76/43/52/573764352.db2.gz QWKUUBSJPVXEJP-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN C[C@H](CO)CN(C)C(=O)[C@@H]1CC1(C)C 688720883 573763626 /nfs/dbraw/zinc/76/36/26/573763626.db2.gz OATCKSHUIRUMOJ-IUCAKERBSA-N 0 0 199.294 1.119 10 0 ADAERN C[C@@H](O)c1nc2cccc(F)c2n1C 76079549 573763649 /nfs/dbraw/zinc/76/36/49/573763649.db2.gz QIGVDONPCWRAFW-ZCFIWIBFSA-N 0 0 194.209 1.766 10 0 ADAERN Cc1ccc(N)c([C@H]2CCC(=O)N2)c1 238507578 573763668 /nfs/dbraw/zinc/76/36/68/573763668.db2.gz OZGNQTJWAODIOC-SNVBAGLBSA-N 0 0 190.246 1.528 10 0 ADAERN C[S@](=O)c1c[nH]c(=O)c(Cl)c1 238508164 573763677 /nfs/dbraw/zinc/76/36/77/573763677.db2.gz MCQJJPPTNNPRKC-NSHDSACASA-N 0 0 191.639 1.178 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(C)ccc2O1 258122675 573763682 /nfs/dbraw/zinc/76/36/82/573763682.db2.gz PEQYWVLWJWCYCO-NSHDSACASA-N 0 0 176.215 1.888 10 0 ADAERN Nc1c[nH]c(Oc2ccc(F)cc2)n1 257868354 573763727 /nfs/dbraw/zinc/76/37/27/573763727.db2.gz HMVURRMMPHNAOS-UHFFFAOYSA-N 0 0 193.181 1.923 10 0 ADAERN O=c1c2c([n-]n1C1CCCC1)C[NH2+]C2 257869022 573763740 /nfs/dbraw/zinc/76/37/40/573763740.db2.gz SPRZITXCDREFGX-UHFFFAOYSA-N 0 0 193.250 1.307 10 0 ADAERN CC(=O)c1nc(C(C)C)nn1C 108332330 573763750 /nfs/dbraw/zinc/76/37/50/573763750.db2.gz ZEOMGCKBYQQINK-UHFFFAOYSA-N 0 0 167.212 1.141 10 0 ADAERN Nc1c[nH]c(Oc2ccccc2F)n1 257869586 573763755 /nfs/dbraw/zinc/76/37/55/573763755.db2.gz HVFFSQFJONBWSU-UHFFFAOYSA-N 0 0 193.181 1.923 10 0 ADAERN C[C@]1(c2nnc(N)s2)CCCCO1 258123654 573763769 /nfs/dbraw/zinc/76/37/69/573763769.db2.gz PQPKLEXTEDPKGL-MRVPVSSYSA-N 0 0 199.279 1.536 10 0 ADAERN CC(=O)Nc1cccc2c(C)[nH]nc12 238091118 573763778 /nfs/dbraw/zinc/76/37/78/573763778.db2.gz GSVPLAKNQOCLQU-UHFFFAOYSA-N 0 0 189.218 1.830 10 0 ADAERN O[C@@H]1CC[C@H](c2cccnc2F)C1 143469775 573763792 /nfs/dbraw/zinc/76/37/92/573763792.db2.gz AOVYOEKRBKNKIE-JGVFFNPUSA-N 0 0 181.210 1.849 10 0 ADAERN OCCS[C@H]1CCCCC[C@@H]1O 84082632 573763796 /nfs/dbraw/zinc/76/37/96/573763796.db2.gz SOXJOAYZNCETOP-IUCAKERBSA-N 0 0 190.308 1.406 10 0 ADAERN Cc1ccc(C)n1Cc1c[nH]cn1 84081481 573763801 /nfs/dbraw/zinc/76/38/01/573763801.db2.gz SKWUHTZCOBUFQE-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN CC(=O)CCCNc1cc[nH]c1 258919544 573763826 /nfs/dbraw/zinc/76/38/26/573763826.db2.gz NIJSSUUCEUSJLO-UHFFFAOYSA-N 0 0 166.224 1.796 10 0 ADAERN Cc1ccc(N)c([C@@H]2CCC(=O)N2)c1 238507051 573763836 /nfs/dbraw/zinc/76/38/36/573763836.db2.gz OZGNQTJWAODIOC-JTQLQIEISA-N 0 0 190.246 1.528 10 0 ADAERN CC[C@@H](C[NH2+]CCC1CCC1)C(=O)[O-] 258930518 573763848 /nfs/dbraw/zinc/76/38/48/573763848.db2.gz HTPQUTYACCVINR-JTQLQIEISA-N 0 0 199.294 1.877 10 0 ADAERN Cc1nc(=S)c2[nH]cnc2n1C 238508232 573763851 /nfs/dbraw/zinc/76/38/51/573763851.db2.gz QGALCSSUFSMRIF-UHFFFAOYSA-N 0 0 180.236 1.334 10 0 ADAERN O[C@@H]1CC[C@@H]2N=C(C3CC3)S[C@@H]2C1 258121301 573763859 /nfs/dbraw/zinc/76/38/59/573763859.db2.gz WGUXWUYYPIOHEZ-HRDYMLBCSA-N 0 0 197.303 1.824 10 0 ADAERN COC(=O)C1CN(c2ccccc2)C1 259566191 573763866 /nfs/dbraw/zinc/76/38/66/573763866.db2.gz ISYVPKNTDLQAIF-UHFFFAOYSA-N 0 0 191.230 1.296 10 0 ADAERN Nc1n[nH]nc1-c1ccccc1Cl 257870248 573763867 /nfs/dbraw/zinc/76/38/67/573763867.db2.gz SUWVPBLRECHVRB-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN O[C@@H]1CC[C@@H]2N=C(C3CC3)S[C@H]2C1 258121304 573763875 /nfs/dbraw/zinc/76/38/75/573763875.db2.gz WGUXWUYYPIOHEZ-VGMNWLOBSA-N 0 0 197.303 1.824 10 0 ADAERN O=CNC1(Cl)CCCCC1 238506973 573763915 /nfs/dbraw/zinc/76/39/15/573763915.db2.gz DAWJRZKBFGHDBN-UHFFFAOYSA-N 0 0 161.632 1.632 10 0 ADAERN CC(=O)c1nccc(C2CC2)n1 108332007 573763928 /nfs/dbraw/zinc/76/39/28/573763928.db2.gz BWHJVCBDYLSMOT-UHFFFAOYSA-N 0 0 162.192 1.557 10 0 ADAERN CC(=O)c1ccc2c(=O)on(C)c2c1 257870236 573763932 /nfs/dbraw/zinc/76/39/32/573763932.db2.gz SUCJEKLQPXGWHW-UHFFFAOYSA-N 0 0 191.186 1.334 10 0 ADAERN O=Cc1ccnn1[C@H]1CCCSC1 257869047 573763956 /nfs/dbraw/zinc/76/39/56/573763956.db2.gz SRDIYVIIRRHMGS-VIFPVBQESA-N 0 0 196.275 1.764 10 0 ADAERN Cn1cc(OC2CCC2)cn1 238507294 573763958 /nfs/dbraw/zinc/76/39/58/573763958.db2.gz JTEAOQZVHTTWNN-UHFFFAOYSA-N 0 0 152.197 1.351 10 0 ADAERN CC(=O)CN1C[C@@H](C(C)C)CC1=O 108336334 573763980 /nfs/dbraw/zinc/76/39/80/573763980.db2.gz RCWHKMWNBYEYDX-VIFPVBQESA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1CNc2c(CON)cccc21 258122615 573763987 /nfs/dbraw/zinc/76/39/87/573763987.db2.gz PEBWEGWJIUYPQJ-ZETCQYMHSA-N 0 0 178.235 1.606 10 0 ADAERN Cc1nccc(NCc2c[nH]cn2)n1 84081358 573763995 /nfs/dbraw/zinc/76/39/95/573763995.db2.gz NOYLMXZWBNLGGA-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN C[S@](=O)c1cccc2[nH]ccc12 238507277 573764014 /nfs/dbraw/zinc/76/40/14/573764014.db2.gz MUKVECMKRXWPCJ-LBPRGKRZSA-N 0 0 179.244 1.905 10 0 ADAERN CC(=O)C=C1CC(C)(C)[NH+]=C([S-])N1 238088974 573764017 /nfs/dbraw/zinc/76/40/17/573764017.db2.gz XUMGSUXLSKRQSA-UHFFFAOYSA-N 0 0 198.291 1.106 10 0 ADAERN C[NH2+]Cc1coc([C@H]2CCCN2C)n1 258122575 573764019 /nfs/dbraw/zinc/76/40/19/573764019.db2.gz ORAVKALQUIHUIB-SECBINFHSA-N 0 0 195.266 1.161 10 0 ADAERN Cc1cnc(C(F)F)c(N)c1C=O 238507949 573764020 /nfs/dbraw/zinc/76/40/20/573764020.db2.gz LCGZSBGISSOJEP-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN O=C1C[C@H](O)CCN1C1CCCCC1 259184560 573764023 /nfs/dbraw/zinc/76/40/23/573764023.db2.gz BHHQGQIQWHEGJE-SNVBAGLBSA-N 0 0 197.278 1.302 10 0 ADAERN CC(=O)CC(CC(C)=O)N=O 238087455 573764039 /nfs/dbraw/zinc/76/40/39/573764039.db2.gz YFBHIPDHFIUHAF-UHFFFAOYSA-N 0 0 157.169 1.080 10 0 ADAERN Clc1ccncc1O[C@@H]1CCOC1 238508258 573764045 /nfs/dbraw/zinc/76/40/45/573764045.db2.gz ASVMHJFETYPOAZ-SSDOTTSWSA-N 0 0 199.637 1.903 10 0 ADAERN OCC[C@@H]1Cc2cc(F)ccc2N1 258122790 573764048 /nfs/dbraw/zinc/76/40/48/573764048.db2.gz PFZLDKKNFFOSQE-SECBINFHSA-N 0 0 181.210 1.545 10 0 ADAERN C[S@](=O)c1ccc([O-])c(Cl)c1 238507018 573764057 /nfs/dbraw/zinc/76/40/57/573764057.db2.gz MOCKZWMNLRFYQT-NSHDSACASA-N 0 0 190.651 1.783 10 0 ADAERN Oc1ccc2c(c1)N[C@@H]1C[C@H]21 257869608 573764061 /nfs/dbraw/zinc/76/40/61/573764061.db2.gz DXISBRYELNKNJC-VXNVDRBHSA-N 0 0 147.177 1.674 10 0 ADAERN C[C@](F)(CO)c1ccc(O)cc1F 257869057 573764070 /nfs/dbraw/zinc/76/40/70/573764070.db2.gz XQZOBBMKSWBVHR-VIFPVBQESA-N 0 0 188.173 1.708 10 0 ADAERN CC(=O)NCCS[Si](C)(C)C 238090832 573764082 /nfs/dbraw/zinc/76/40/82/573764082.db2.gz PXRKONMSYLDMPS-UHFFFAOYSA-N 0 0 191.372 1.691 10 0 ADAERN CCn1c(CO)cc2cc(O)ccc21 257870014 573764086 /nfs/dbraw/zinc/76/40/86/573764086.db2.gz IFMKAZXAHUKAEE-UHFFFAOYSA-N 0 0 191.230 1.859 10 0 ADAERN C[C@]1(c2noc(N)n2)CCCSC1 258123680 573764099 /nfs/dbraw/zinc/76/40/99/573764099.db2.gz PRTOYEFFDSNWAG-QMMMGPOBSA-N 0 0 199.279 1.437 10 0 ADAERN Oc1ccc2nnc(C3CCC3)n2c1 258123999 573764116 /nfs/dbraw/zinc/76/41/16/573764116.db2.gz ZBDBQXZCCGVZCF-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN CC(=O)CC1=CCC(=O)CC1 238089115 573764164 /nfs/dbraw/zinc/76/41/64/573764164.db2.gz AUNAENWGEACXSL-UHFFFAOYSA-N 0 0 152.193 1.645 10 0 ADAERN CC(=O)CC1(C)OCC=CCO1 238088064 573764184 /nfs/dbraw/zinc/76/41/84/573764184.db2.gz ASUWQQLSALUPHF-UHFFFAOYSA-N 0 0 170.208 1.285 10 0 ADAERN C[C@H]1CC(=O)N(c2ccc(O)cc2)N1 257870282 573764186 /nfs/dbraw/zinc/76/41/86/573764186.db2.gz SVQSLXAYKDWWLX-ZETCQYMHSA-N 0 0 192.218 1.022 10 0 ADAERN CC(C)n1cnc2c1CCC[C@@H]2O 76088096 573764230 /nfs/dbraw/zinc/76/42/30/573764230.db2.gz OTSQAKULTWRXEK-VIFPVBQESA-N 0 0 180.251 1.834 10 0 ADAERN Cc1cc(O)c(F)c(CCON)c1 258121264 573764231 /nfs/dbraw/zinc/76/42/31/573764231.db2.gz QSCSNPJNEUBRSN-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN Nc1cc(F)ccc1Cc1cn[nH]c1 257868988 573764242 /nfs/dbraw/zinc/76/42/42/573764242.db2.gz SOUWHYIBFJVUIA-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN CC(=O)NCC[C@H]1CCCCC1=O 238091411 573764245 /nfs/dbraw/zinc/76/42/45/573764245.db2.gz SMMKBUBTUKECBG-SECBINFHSA-N 0 0 183.251 1.272 10 0 ADAERN C[NH2+]Cc1coc([C@@H]2CCCN2C)n1 258122577 573764270 /nfs/dbraw/zinc/76/42/70/573764270.db2.gz ORAVKALQUIHUIB-VIFPVBQESA-N 0 0 195.266 1.161 10 0 ADAERN O=C([O-])CC(F)(F)[C@H]1CCC[NH2+]C1 257869040 573764285 /nfs/dbraw/zinc/76/42/85/573764285.db2.gz SQYVNZKIFCNCJL-LURJTMIESA-N 0 0 193.193 1.096 10 0 ADAERN CC(=O)O[C@H]1CC(C)(C)C=C(C)[C@@H]1O 238091021 573764286 /nfs/dbraw/zinc/76/42/86/573764286.db2.gz LVHRAJTXHOSEFL-UWVGGRQHSA-N 0 0 198.262 1.655 10 0 ADAERN Cc1cnc(C(F)F)c(N)c1CO 238508092 573764297 /nfs/dbraw/zinc/76/42/97/573764297.db2.gz RCVBUEIXLCCICO-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cn1c(CON)cc2ccc(F)cc21 258123341 573764330 /nfs/dbraw/zinc/76/43/30/573764330.db2.gz JQAGOASBZRSJHY-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN C[C@H]1Oc2c[nH]cc2O[C@@H]1C 238509205 573767105 /nfs/dbraw/zinc/76/71/05/573767105.db2.gz YOSHGJDOFPNZLL-PHDIDXHHSA-N 0 0 153.181 1.563 10 0 ADAERN Cc1cccc(S(=O)(=O)[C@H](C)N)c1 259177417 573767108 /nfs/dbraw/zinc/76/71/08/573767108.db2.gz IEYFDLPLQQNFHB-MRVPVSSYSA-N 0 0 199.275 1.073 10 0 ADAERN CCOC[C@H](C)C(=O)C(C)C 146416785 573767110 /nfs/dbraw/zinc/76/71/10/573767110.db2.gz MCHHHYOQHOWALW-QMMMGPOBSA-N 0 0 158.241 1.884 10 0 ADAERN CC(=O)[C@H]1Sc2ccccc2[C@@H]1O 238093157 573767114 /nfs/dbraw/zinc/76/71/14/573767114.db2.gz YKFMPDLAYJPRBN-VHSXEESVSA-N 0 0 194.255 1.783 10 0 ADAERN CCC(C)(C)[N@H+](C)[C@H](C(=O)[O-])C1CC1 84095033 573767117 /nfs/dbraw/zinc/76/71/17/573767117.db2.gz ZLELBAKHVKBPTL-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN CO[C@](C)(CO)Cc1ccc(C)cc1 257872446 573767956 /nfs/dbraw/zinc/76/79/56/573767956.db2.gz TYGHXNWGBAGMPP-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN CC(=O)NCCc1cc(C)c[nH]1 238091690 573767122 /nfs/dbraw/zinc/76/71/22/573767122.db2.gz FVESTHOYUDDJQZ-UHFFFAOYSA-N 0 0 166.224 1.002 10 0 ADAERN CC(=O)c1nccc(C(F)(F)F)n1 108340567 573767135 /nfs/dbraw/zinc/76/71/35/573767135.db2.gz WZZBTVWLXJAMOQ-UHFFFAOYSA-N 0 0 190.124 1.698 10 0 ADAERN Cc1cc(C(F)F)c(O)c(N)n1 238509692 573767137 /nfs/dbraw/zinc/76/71/37/573767137.db2.gz DHOANGWWONSLQA-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN OCCc1cnc(-c2ccco2)o1 258124783 573767162 /nfs/dbraw/zinc/76/71/62/573767162.db2.gz OXUTUJKUQGHKHE-UHFFFAOYSA-N 0 0 179.175 1.469 10 0 ADAERN c1cc(OC2CC2)c2n[nH]nc2c1 238092990 573767177 /nfs/dbraw/zinc/76/71/77/573767177.db2.gz VPKWNUXRPSUYMR-UHFFFAOYSA-N 0 0 175.191 1.499 10 0 ADAERN Cc1cc(C(F)F)c([O-])c(C[NH3+])n1 238509535 573767178 /nfs/dbraw/zinc/76/71/78/573767178.db2.gz GJWDMUDTAFJLCW-UHFFFAOYSA-N 0 0 188.177 1.492 10 0 ADAERN Cc1nc(N)oc1C(F)(F)F 258422195 573767198 /nfs/dbraw/zinc/76/71/98/573767198.db2.gz CBMFAWQOAOHFLM-UHFFFAOYSA-N 0 0 166.102 1.584 10 0 ADAERN C[C@H](O)Cc1ccncc1Cl 84086146 573767217 /nfs/dbraw/zinc/76/72/17/573767217.db2.gz FWGYZLALUHSBFT-LURJTMIESA-N 0 0 171.627 1.658 10 0 ADAERN Cc1ccc(N)c(SC(N)=O)c1 238509668 573767237 /nfs/dbraw/zinc/76/72/37/573767237.db2.gz OETCCJBMHMXKCN-UHFFFAOYSA-N 0 0 182.248 1.748 10 0 ADAERN C[C@]12CCCC[C@@H]1C(=O)NC2 238508887 573767247 /nfs/dbraw/zinc/76/72/47/573767247.db2.gz AOOASDVDOYWUQY-VXNVDRBHSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@H](O)CCN1CC[C@@H](C)CC1=O 108338324 573767259 /nfs/dbraw/zinc/76/72/59/573767259.db2.gz GGEHICPQUCUHHE-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN CC(C)(C)[C@H]1CC[C@@](C)(O)[C@@H](O)C1 238093669 573767264 /nfs/dbraw/zinc/76/72/64/573767264.db2.gz GWOVLGQUWWGELF-ATZCPNFKSA-N 0 0 186.295 1.945 10 0 ADAERN Cc1cccc([C@@H]2CNC(=O)C2)c1N 238510115 573767270 /nfs/dbraw/zinc/76/72/70/573767270.db2.gz VCWSHSNRFGQEBA-QMMMGPOBSA-N 0 0 190.246 1.181 10 0 ADAERN CC(=O)Nc1ccccc(=O)c1 238093068 573767294 /nfs/dbraw/zinc/76/72/94/573767294.db2.gz WHCQMFCQRXCAOR-UHFFFAOYSA-N 0 0 163.176 1.005 10 0 ADAERN Cc1cc(C(F)F)c(O)c(=O)[nH]1 238509721 573767304 /nfs/dbraw/zinc/76/73/04/573767304.db2.gz DMVMWHCHCXOYMB-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN CC[C@H](O)c1ccnc(C)n1 122566787 573767321 /nfs/dbraw/zinc/76/73/21/573767321.db2.gz TZMGEJPNNYWDFS-QMMMGPOBSA-N 0 0 152.197 1.228 10 0 ADAERN C[N@@H+](CC1CCC1)C[C@H]1C[C@H]1C(=O)[O-] 258926372 573767347 /nfs/dbraw/zinc/76/73/47/573767347.db2.gz RCHGGSZJDIMYAU-NXEZZACHSA-N 0 0 197.278 1.439 10 0 ADAERN CC(=O)O[C@H]1CCCC(=O)CC1 238092365 573767375 /nfs/dbraw/zinc/76/73/75/573767375.db2.gz HFUKUPUEHYYXJF-VIFPVBQESA-N 0 0 170.208 1.451 10 0 ADAERN Cc1cc(O)ccc1[C@@H](F)CO 257870557 573767387 /nfs/dbraw/zinc/76/73/87/573767387.db2.gz YDHUFSIFFILDSP-VIFPVBQESA-N 0 0 170.183 1.704 10 0 ADAERN CC(=O)[C@H]1Sc2ccccc2[C@H]1O 238093193 573767389 /nfs/dbraw/zinc/76/73/89/573767389.db2.gz YKFMPDLAYJPRBN-NXEZZACHSA-N 0 0 194.255 1.783 10 0 ADAERN CCN1CCNc2cccc(N)c21 259177683 573767407 /nfs/dbraw/zinc/76/74/07/573767407.db2.gz JNDIOCCBHVJHOA-UHFFFAOYSA-N 0 0 177.251 1.521 10 0 ADAERN CC(=O)CCN1CCC(C)(C)CC1=O 108343404 573767439 /nfs/dbraw/zinc/76/74/39/573767439.db2.gz PVFOKSUPXSXBHC-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN c1[nH]nc(C2CC2)c1OC1CC1 238092604 573767459 /nfs/dbraw/zinc/76/74/59/573767459.db2.gz KVRLGGQXWRKWNR-UHFFFAOYSA-N 0 0 164.208 1.828 10 0 ADAERN c1cnc2c(OC3CC3)cnn2c1 238093602 573767481 /nfs/dbraw/zinc/76/74/81/573767481.db2.gz OHVMPZMEGGTGFG-UHFFFAOYSA-N 0 0 175.191 1.271 10 0 ADAERN C[C@H](O)CN1CCC(C)(C)CC1=O 108338314 573767499 /nfs/dbraw/zinc/76/74/99/573767499.db2.gz NGTXAQUUYRHGDF-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1c(N)cccc1NC/C=C/CO 717554765 573767503 /nfs/dbraw/zinc/76/75/03/573767503.db2.gz XBUPIAXZQUFVIJ-NSCUHMNNSA-N 0 0 192.262 1.538 10 0 ADAERN CC(=O)[C@@H]1CC(=O)[C@]2(C)C[C@@H]2C1 238092398 573767508 /nfs/dbraw/zinc/76/75/08/573767508.db2.gz BZOXODYSAZYYNZ-OYNCUSHFSA-N 0 0 166.220 1.581 10 0 ADAERN CC[C@H](O)c1ccncc1F 122567397 573767524 /nfs/dbraw/zinc/76/75/24/573767524.db2.gz ZDVSXLXIYDBRHO-QMMMGPOBSA-N 0 0 155.172 1.664 10 0 ADAERN C[C@]12CCCCC[C@H]1NC(=O)O2 238508493 573767547 /nfs/dbraw/zinc/76/75/47/573767547.db2.gz MDICRNQKKULYCV-APPZFPTMSA-N 0 0 169.224 1.818 10 0 ADAERN Cc1cc(C(F)F)c(N)nc1CO 238509020 573767575 /nfs/dbraw/zinc/76/75/75/573767575.db2.gz WLXJUVRJWOIVBS-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC1=C(C)[C@H]2C(Cl)=NC=N[C@@H]2N1 100049821 573767624 /nfs/dbraw/zinc/76/76/24/573767624.db2.gz VUOHEKDKTKGLRQ-POYBYMJQSA-N 0 0 183.642 1.505 10 0 ADAERN CCn1c(CCOC)cnc1Cl 258422367 573767647 /nfs/dbraw/zinc/76/76/47/573767647.db2.gz CWRXNFLYCVMSSO-UHFFFAOYSA-N 0 0 188.658 1.745 10 0 ADAERN CC[C@@H](O)[C@@H]1C[C@H]1C 122560090 573767688 /nfs/dbraw/zinc/76/76/88/573767688.db2.gz BLNMNBHHOXRJRI-FSDSQADBSA-N 0 0 114.188 1.413 10 0 ADAERN COc1cccc([C@@H]2CC(=O)CN2)c1 258926912 573767709 /nfs/dbraw/zinc/76/77/09/573767709.db2.gz QFGGHGPYJRSMDZ-NSHDSACASA-N 0 0 191.230 1.299 10 0 ADAERN C[C@]12CCCC[C@@H]1NC(=O)NC2 238509711 573767712 /nfs/dbraw/zinc/76/77/12/573767712.db2.gz BSBIYALOJBUORS-IONNQARKSA-N 0 0 168.240 1.248 10 0 ADAERN C[S@](=O)c1cnc2[nH]ccc2c1F 238509797 573767718 /nfs/dbraw/zinc/76/77/18/573767718.db2.gz LQYWXUJAYDQBHC-ZDUSSCGKSA-N 0 0 198.222 1.439 10 0 ADAERN CC(=O)Nc1cccc2nc(C)cn12 238092242 573767764 /nfs/dbraw/zinc/76/77/64/573767764.db2.gz VYUVWFVPCXYLDW-UHFFFAOYSA-N 0 0 189.218 1.601 10 0 ADAERN Cc1cc(C(F)F)c(O)c(C=O)n1 238509411 573767837 /nfs/dbraw/zinc/76/78/37/573767837.db2.gz IYAGBOLLNVRYAO-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN c1cc(OC2CC2)n2ccnc2c1 238092947 573767839 /nfs/dbraw/zinc/76/78/39/573767839.db2.gz VUHYADYNDKKKBR-UHFFFAOYSA-N 0 0 174.203 1.876 10 0 ADAERN O=c1nc(C2CCC2)o[nH]1 257871506 573767840 /nfs/dbraw/zinc/76/78/40/573767840.db2.gz AHWAJMJVHFOVFV-UHFFFAOYSA-N 0 0 140.142 1.043 10 0 ADAERN CN1CC(=O)Nc2c1ccnc2Cl 257872363 573767847 /nfs/dbraw/zinc/76/78/47/573767847.db2.gz TWORPUJFRGWFMU-UHFFFAOYSA-N 0 0 197.625 1.123 10 0 ADAERN Nc1cc(F)ccc1C(=O)CCCO 257871335 573767870 /nfs/dbraw/zinc/76/78/70/573767870.db2.gz SZRQSOGDNNQDJV-UHFFFAOYSA-N 0 0 197.209 1.363 10 0 ADAERN Nc1nc(C[C@H]2CCCSC2)no1 258124540 573767932 /nfs/dbraw/zinc/76/79/32/573767932.db2.gz UGRQESDAJCLWRD-ZCFIWIBFSA-N 0 0 199.279 1.338 10 0 ADAERN O=Cc1nc([C@H]2CCCSC2)no1 257872616 573767938 /nfs/dbraw/zinc/76/79/38/573767938.db2.gz AKGPHQBKYPXBAE-LURJTMIESA-N 0 0 198.247 1.493 10 0 ADAERN CC(=O)Nc1cccc2nnsc12 238092785 573767946 /nfs/dbraw/zinc/76/79/46/573767946.db2.gz NTAVPJUTFSOWTA-UHFFFAOYSA-N 0 0 193.231 1.650 10 0 ADAERN C[C@@H](O)Cc1ccncc1Cl 84086148 573767947 /nfs/dbraw/zinc/76/79/47/573767947.db2.gz FWGYZLALUHSBFT-ZCFIWIBFSA-N 0 0 171.627 1.658 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1N[C@H]2C=C[C@@H]1C2 238096872 573770208 /nfs/dbraw/zinc/77/02/08/573770208.db2.gz GSTRKECNVFQHGF-HRDYMLBCSA-N 0 0 195.262 1.245 10 0 ADAERN COC(=O)c1[nH]nc(N)c1C(C)(C)C 257871368 573770237 /nfs/dbraw/zinc/77/02/37/573770237.db2.gz TUFNXVZRFMPIJN-UHFFFAOYSA-N 0 0 197.238 1.076 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)CC1CC1 689989428 573770246 /nfs/dbraw/zinc/77/02/46/573770246.db2.gz MTQCPWZUBQKFKP-VXNVDRBHSA-N 0 0 154.209 1.391 10 0 ADAERN CC(=O)C1=C(N)C(C(N)=O)=C(C)C1 100067902 573770253 /nfs/dbraw/zinc/77/02/53/573770253.db2.gz IZNUDJXKIIQGHL-VNDWZNMCSA-N 0 0 180.207 1.044 10 0 ADAERN CC(C)Cc1coc(C=O)n1 258424014 573770263 /nfs/dbraw/zinc/77/02/63/573770263.db2.gz CFOZEQDYXNQSEA-UHFFFAOYSA-N 0 0 153.181 1.686 10 0 ADAERN COC[C@@H]1CCNc2c(O)cccc21 257872332 573770264 /nfs/dbraw/zinc/77/02/64/573770264.db2.gz TWFWWKJLXHCHNX-QMMMGPOBSA-N 0 0 193.246 1.938 10 0 ADAERN O=C1Nc2ccccc2CN1CCO 108340864 573770269 /nfs/dbraw/zinc/77/02/69/573770269.db2.gz MFUCIMKUYKXUPY-UHFFFAOYSA-N 0 0 192.218 1.026 10 0 ADAERN COC(=O)[C@H](C1CC1)n1cc(C)cn1 84092506 573770276 /nfs/dbraw/zinc/77/02/76/573770276.db2.gz SCWHJEWZJJEEBW-VIFPVBQESA-N 0 0 194.234 1.316 10 0 ADAERN CC(C)CC1=N[C@@H]2CC[C@H](O)C[C@H]2O1 258126121 573770293 /nfs/dbraw/zinc/77/02/93/573770293.db2.gz WLYLDCZXNNZZSN-IVZWLZJFSA-N 0 0 197.278 1.743 10 0 ADAERN C/C=C\[C@H](O)C(F)(F)C(=O)OCC 214958967 573770298 /nfs/dbraw/zinc/77/02/98/573770298.db2.gz WROWHWZYZZBAGX-LMXCLXGDSA-N 0 0 194.177 1.122 10 0 ADAERN COc1ccc2nncc(N)c2c1 259620600 573770307 /nfs/dbraw/zinc/77/03/07/573770307.db2.gz FGBYOFWFHFWRPS-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN C[C@]1(c2ccccc2F)CCC(=O)N1 257871426 573770322 /nfs/dbraw/zinc/77/03/22/573770322.db2.gz TWAFVCDHBKBGCL-LLVKDONJSA-N 0 0 193.221 1.951 10 0 ADAERN Cc1cc(C(F)F)c(O)c(CO)n1 238509555 573770328 /nfs/dbraw/zinc/77/03/28/573770328.db2.gz DLTIGYUSFBPFSS-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(C)Cn1nc2c(c1N)CCOC2 257872401 573770337 /nfs/dbraw/zinc/77/03/37/573770337.db2.gz TXOROHGKSRDLNY-UHFFFAOYSA-N 0 0 195.266 1.194 10 0 ADAERN Nc1cccc2[nH]c(CO)cc12 258125172 573770343 /nfs/dbraw/zinc/77/03/43/573770343.db2.gz UNVJDOLPHYPSQD-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN CC(C)(C)[C@H]1C[C@@](C)(O)C(=S)N1 238096729 573770345 /nfs/dbraw/zinc/77/03/45/573770345.db2.gz QPLJBRYOXSXDMN-HZGVNTEJSA-N 0 0 187.308 1.473 10 0 ADAERN CCC(=O)[C@@H](O)c1cccc(OC)c1 258933409 573770348 /nfs/dbraw/zinc/77/03/48/573770348.db2.gz XPCRKOMLUJNTBD-NSHDSACASA-N 0 0 194.230 1.708 10 0 ADAERN Cc1cc(N)ccc1NC/C=C\CO 717553808 573770368 /nfs/dbraw/zinc/77/03/68/573770368.db2.gz OKBJBGKJRXCMEL-IHWYPQMZSA-N 0 0 192.262 1.538 10 0 ADAERN CO[C@@](C)(CO)Cc1ccc(C)cc1 257872443 573770383 /nfs/dbraw/zinc/77/03/83/573770383.db2.gz TYGHXNWGBAGMPP-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN CC(C)(Oc1ccc(O)cc1)C(N)=O 238096447 573770389 /nfs/dbraw/zinc/77/03/89/573770389.db2.gz ABXFOYBGBMBCJL-UHFFFAOYSA-N 0 0 195.218 1.035 10 0 ADAERN CCC[C@H](O)c1ncc(C)cn1 122581046 573770398 /nfs/dbraw/zinc/77/03/98/573770398.db2.gz WJFRYJNNNXRADC-QMMMGPOBSA-N 0 0 166.224 1.619 10 0 ADAERN CCOCC(=O)c1ncccc1F 131149629 573770403 /nfs/dbraw/zinc/77/04/03/573770403.db2.gz HYVFBHDISCPCHC-UHFFFAOYSA-N 0 0 183.182 1.440 10 0 ADAERN Cc1cccc(-n2ncc(N)c2F)c1 259620677 573770410 /nfs/dbraw/zinc/77/04/10/573770410.db2.gz FGHCKYLXHLJJNN-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN C=COCCCC(C)=O 238097060 573770430 /nfs/dbraw/zinc/77/04/30/573770430.db2.gz NGDUHWPFMXIAGX-UHFFFAOYSA-N 0 0 128.171 1.516 10 0 ADAERN C[S@](=O)c1nc2[nH]ccc2cc1F 238509911 573770475 /nfs/dbraw/zinc/77/04/75/573770475.db2.gz NFEIPQDECFONEE-ZDUSSCGKSA-N 0 0 198.222 1.439 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)CC1CC1 689989421 573770482 /nfs/dbraw/zinc/77/04/82/573770482.db2.gz MTQCPWZUBQKFKP-APPZFPTMSA-N 0 0 154.209 1.391 10 0 ADAERN Nc1cccc2c1NCC1(CC1)CN2 258422647 573770484 /nfs/dbraw/zinc/77/04/84/573770484.db2.gz DXQDRAHDEJRJNK-UHFFFAOYSA-N 0 0 189.262 1.886 10 0 ADAERN C[C@]12CCCC[C@@H]1NC2=O 238509741 573770499 /nfs/dbraw/zinc/77/04/99/573770499.db2.gz XXBLLYBHNMXEHC-XPUUQOCRSA-N 0 0 139.198 1.065 10 0 ADAERN COc1ccc([C@@](C)(F)CO)cc1 257871909 573770514 /nfs/dbraw/zinc/77/05/14/573770514.db2.gz YLQWIMQLDNZGHV-JTQLQIEISA-N 0 0 184.210 1.872 10 0 ADAERN CC(=O)CCN(C)C(=O)C(C)(C)C 308434755 573770537 /nfs/dbraw/zinc/77/05/37/573770537.db2.gz VMQMGRVJZROSJO-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN COC(=O)c1[nH]c(=O)[nH]c1C(C)C 258125695 573770539 /nfs/dbraw/zinc/77/05/39/573770539.db2.gz MZFHITBOVBWAIE-UHFFFAOYSA-N 0 0 184.195 1.025 10 0 ADAERN CNOCCc1ccc(C)o1 257871659 573770545 /nfs/dbraw/zinc/77/05/45/573770545.db2.gz DDPJAKUESIUQJZ-UHFFFAOYSA-N 0 0 155.197 1.282 10 0 ADAERN Cc1cnc(C(F)F)cc1C(N)=O 238509441 573770566 /nfs/dbraw/zinc/77/05/66/573770566.db2.gz HEPOUCCENLGBBM-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN CC(C)Cc1ncc(CCO)o1 258124753 573770596 /nfs/dbraw/zinc/77/05/96/573770596.db2.gz OXIPXOXAHIUNSY-UHFFFAOYSA-N 0 0 169.224 1.408 10 0 ADAERN COC(=O)N1C[C@@H]2C(C)=C[C@H]21 100078619 573770615 /nfs/dbraw/zinc/77/06/15/573770615.db2.gz JSRKZOUYVYTMSV-RNFRBKRXSA-N 0 0 153.181 1.013 10 0 ADAERN C[S@]1(=O)=NC(=O)Nc2ccccc21 238510117 573770649 /nfs/dbraw/zinc/77/06/49/573770649.db2.gz UXXFHRHYJYNRNE-CYBMUJFWSA-N 0 0 196.231 1.689 10 0 ADAERN Cc1nc2cncc(C=O)c2n1C 238509032 573770694 /nfs/dbraw/zinc/77/06/94/573770694.db2.gz JRXZKUPIPAZUEJ-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN CC(=O)CCCSC(C)=O 238097205 573770704 /nfs/dbraw/zinc/77/07/04/573770704.db2.gz GRHUKOJWGQVQPB-UHFFFAOYSA-N 0 0 160.238 1.635 10 0 ADAERN CCSCc1nc(C)cn1C 257870900 573770705 /nfs/dbraw/zinc/77/07/05/573770705.db2.gz HZTAPGLECNGUCA-UHFFFAOYSA-N 0 0 170.281 1.982 10 0 ADAERN CCn1ncc(Cl)c1[C@@H](C)O 122578539 573770726 /nfs/dbraw/zinc/77/07/26/573770726.db2.gz RMYHXOPMPGYGQT-RXMQYKEDSA-N 0 0 174.631 1.610 10 0 ADAERN O=c1[nH]n(C2CC2)c2c1CCSC2 257872381 573770727 /nfs/dbraw/zinc/77/07/27/573770727.db2.gz TXEBINJUWADFOF-UHFFFAOYSA-N 0 0 196.275 1.713 10 0 ADAERN CC1(C)Nc2cccc(O)c2OC1=O 259177602 573770739 /nfs/dbraw/zinc/77/07/39/573770739.db2.gz JKYMVVNOYYEVLM-UHFFFAOYSA-N 0 0 193.202 1.502 10 0 ADAERN CC(C)N(CCCO)c1ccncn1 40863632 573770768 /nfs/dbraw/zinc/77/07/68/573770768.db2.gz IMOICUXCAHXGDE-UHFFFAOYSA-N 0 0 195.266 1.074 10 0 ADAERN O=Cc1n[nH]cc1-c1ccccc1O 257871894 573770769 /nfs/dbraw/zinc/77/07/69/573770769.db2.gz YKLIQFSGSJRYOP-UHFFFAOYSA-N 0 0 188.186 1.595 10 0 ADAERN Cc1cc2ccc(C)n2c(=O)[nH]1 238509597 573770778 /nfs/dbraw/zinc/77/07/78/573770778.db2.gz HMMFSNNOMRKNSZ-UHFFFAOYSA-N 0 0 162.192 1.244 10 0 ADAERN CCC/C=C/N1CCOCC1 100096887 573770818 /nfs/dbraw/zinc/77/08/18/573770818.db2.gz WOXMXYYZKGMTFP-SNAWJCMRSA-N 0 0 155.241 1.632 10 0 ADAERN C[C@](O)(CO)CCc1cccc(O)c1 257870382 573770828 /nfs/dbraw/zinc/77/08/28/573770828.db2.gz SYCZBABYDTUMHH-LLVKDONJSA-N 0 0 196.246 1.068 10 0 ADAERN C[S@](=O)c1cccc2c1C(=O)CC2 238509532 573770851 /nfs/dbraw/zinc/77/08/51/573770851.db2.gz PYVKVIASYQFCHU-ZDUSSCGKSA-N 0 0 194.255 1.553 10 0 ADAERN Cc1cn(C)c(CN2CCCCC2)n1 257870827 573770876 /nfs/dbraw/zinc/77/08/76/573770876.db2.gz HZDHHZGTPOHFPP-UHFFFAOYSA-N 0 0 193.294 1.714 10 0 ADAERN S=C1N=CC(c2ccncc2)=N1 100076671 573770878 /nfs/dbraw/zinc/77/08/78/573770878.db2.gz NGAARZNRONVIOK-UHFFFAOYSA-N 0 0 175.216 1.240 10 0 ADAERN CC(C)CC1=N[C@@H]2CC[C@H](O)C[C@@H]2O1 258126117 573770882 /nfs/dbraw/zinc/77/08/82/573770882.db2.gz WLYLDCZXNNZZSN-AEJSXWLSSA-N 0 0 197.278 1.743 10 0 ADAERN CCCNc1[nH+]ccc(C(=O)[O-])c1N 84095239 573770907 /nfs/dbraw/zinc/77/09/07/573770907.db2.gz VRTUECOZZUKYPJ-UHFFFAOYSA-N 0 0 195.222 1.184 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2O[C@@H]2C)cc1 238509714 573770910 /nfs/dbraw/zinc/77/09/10/573770910.db2.gz OSOTZQIJCDDFEI-LDYMZIIASA-N 0 0 176.215 1.965 10 0 ADAERN CC1=NN(c2ccccc2)C(=O)C1N 100071943 573770917 /nfs/dbraw/zinc/77/09/17/573770917.db2.gz QXLLMUATXAEVJJ-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN Cc1cc2ccc(=O)ccc2n1C 238508996 573770924 /nfs/dbraw/zinc/77/09/24/573770924.db2.gz KWUROABSNVVDBU-UHFFFAOYSA-N 0 0 173.215 1.847 10 0 ADAERN CC(C)Nc1[nH+]ccc(C(=O)[O-])c1N 84095265 573770940 /nfs/dbraw/zinc/77/09/40/573770940.db2.gz BIGNMAGPIADYSF-UHFFFAOYSA-N 0 0 195.222 1.182 10 0 ADAERN OC[C@H](COc1cccnc1)C1CC1 258125451 573770971 /nfs/dbraw/zinc/77/09/71/573770971.db2.gz FZXMNUSKCBYHDS-SNVBAGLBSA-N 0 0 193.246 1.479 10 0 ADAERN CC(C)C[C@@H](CO)Nc1ccncn1 40863394 573770979 /nfs/dbraw/zinc/77/09/79/573770979.db2.gz OOLBFQSJWNGUTG-VIFPVBQESA-N 0 0 195.266 1.296 10 0 ADAERN CC(=O)[C@H]1C[C@H]2C[C@@H]12 100078929 573770986 /nfs/dbraw/zinc/77/09/86/573770986.db2.gz BIXJPMLZFYZDJE-RRKCRQDMSA-N 0 0 110.156 1.231 10 0 ADAERN C[S@](=O)c1cccc2c1CCN2 238509611 573770988 /nfs/dbraw/zinc/77/09/88/573770988.db2.gz ZMOPHVGBFQKFOD-LBPRGKRZSA-N 0 0 181.260 1.392 10 0 ADAERN CN1CCCC[C@@H]1c1ncc(C=O)o1 258124721 573770995 /nfs/dbraw/zinc/77/09/95/573770995.db2.gz OWOTXAZGJVSOOR-SECBINFHSA-N 0 0 194.234 1.644 10 0 ADAERN Cc1nc2cnc(=S)n(C)c2[nH]1 238508797 573771012 /nfs/dbraw/zinc/77/10/12/573771012.db2.gz FTXNPHLWMCRHFL-UHFFFAOYSA-N 0 0 180.236 1.334 10 0 ADAERN COC(=O)N1C[C@H]2C(C)=C[C@@H]21 100078625 573771014 /nfs/dbraw/zinc/77/10/14/573771014.db2.gz JSRKZOUYVYTMSV-BQBZGAKWSA-N 0 0 153.181 1.013 10 0 ADAERN Cc1ncsc1[C@H]1CNC(=O)C1 238508676 573771061 /nfs/dbraw/zinc/77/10/61/573771061.db2.gz RZWQMCIYWFLTAP-ZCFIWIBFSA-N 0 0 182.248 1.055 10 0 ADAERN C[C@@H]1C=Cc2cc(C=O)c(O)cc2O1 238509568 573771083 /nfs/dbraw/zinc/77/10/83/573771083.db2.gz CGAFIABPFOCAES-SSDOTTSWSA-N 0 0 190.198 1.999 10 0 ADAERN O=C1Nc2ccccc2C1O 100067181 573771086 /nfs/dbraw/zinc/77/10/86/573771086.db2.gz PGNRLPTYNKQQDY-UHFFFAOYSA-N 0 0 149.149 1.579 10 0 in-vitro ADAERN Cc1ccc([C@@H]2CCC(=O)N2)cc1N 238511368 573772418 /nfs/dbraw/zinc/77/24/18/573772418.db2.gz GFXDISUBSNMDJY-JTQLQIEISA-N 0 0 190.246 1.528 10 0 ADAERN Cc1cc2ccc(N)c(N)c2[nH]1 238510272 573772433 /nfs/dbraw/zinc/77/24/33/573772433.db2.gz LEWZUOYWXJVODL-UHFFFAOYSA-N 0 0 161.208 1.641 10 0 ADAERN C[C@H]1O[C@](C)(O)c2cnccc21 238511105 573772442 /nfs/dbraw/zinc/77/24/42/573772442.db2.gz OWVCGXHZPVPOBC-MUWHJKNJSA-N 0 0 165.192 1.338 10 0 ADAERN CCO[C@H](C)CNC(=O)C1=CCC1 308435136 573772447 /nfs/dbraw/zinc/77/24/47/573772447.db2.gz VVWJFKRJCPOBIN-MRVPVSSYSA-N 0 0 183.251 1.248 10 0 ADAERN Cc1cc(-c2ccc[nH]2)nc(CO)n1 259179557 573772449 /nfs/dbraw/zinc/77/24/49/573772449.db2.gz GCEULODVMPVJIC-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN Cc1ccc([C@@H]2CCC(=O)N2)cc1O 238511399 573772451 /nfs/dbraw/zinc/77/24/51/573772451.db2.gz HGILWTZSTUFQBD-VIFPVBQESA-N 0 0 191.230 1.652 10 0 ADAERN Cc1cc2ccccc(=O)c2n1C 238511641 573772475 /nfs/dbraw/zinc/77/24/75/573772475.db2.gz IJMQSOOFRODBGY-UHFFFAOYSA-N 0 0 173.215 1.847 10 0 ADAERN CCO[C@@H]1C[C@@H]1NC(=O)CC(C)C 308435151 573772481 /nfs/dbraw/zinc/77/24/81/573772481.db2.gz VWQLMYLQXXSTHV-DTWKUNHWSA-N 0 0 185.267 1.326 10 0 ADAERN Cn1cccc1[C@@H]1CCCC1=O 238511404 573772501 /nfs/dbraw/zinc/77/25/01/573772501.db2.gz AMJFQUFMSUNVHZ-QMMMGPOBSA-N 0 0 163.220 1.862 10 0 ADAERN CCn1cc([C@@H](N)C(F)(F)F)cn1 122605610 573772510 /nfs/dbraw/zinc/77/25/10/573772510.db2.gz VPQZVHBLKZKVOU-ZCFIWIBFSA-N 0 0 193.172 1.465 10 0 ADAERN CN(CC1CC1)c1ccc(CO)cn1 40879220 573772513 /nfs/dbraw/zinc/77/25/13/573772513.db2.gz NHUPAZUYIQRUKK-UHFFFAOYSA-N 0 0 192.262 1.420 10 0 ADAERN O=Cc1c(F)c[nH]c1Br 108365490 573772530 /nfs/dbraw/zinc/77/25/30/573772530.db2.gz ZAYNXXXBGVBRGK-UHFFFAOYSA-N 0 0 191.987 1.729 10 0 ADAERN COC(=O)[C@]1(c2ccn(C)c2)C[C@@H]1C 259567948 573772555 /nfs/dbraw/zinc/77/25/55/573772555.db2.gz IYRJCCQCADGKOJ-GZMMTYOYSA-N 0 0 193.246 1.476 10 0 ADAERN Cc1ccc2[nH]cnc2c1O 238511629 573772563 /nfs/dbraw/zinc/77/25/63/573772563.db2.gz APFHHNQVPCPYSH-UHFFFAOYSA-N 0 0 148.165 1.577 10 0 ADAERN Cc1cc(C(F)F)cc(C(N)=O)n1 238511248 573772583 /nfs/dbraw/zinc/77/25/83/573772583.db2.gz XCNUKOKYXQBDRN-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN ClC1(C2CCOCC2)COC1 259178912 573772584 /nfs/dbraw/zinc/77/25/84/573772584.db2.gz VYWUDLJIFYBRHR-UHFFFAOYSA-N 0 0 176.643 1.421 10 0 ADAERN CCCN(CC)c1ccc(CO)cn1 40877292 573772589 /nfs/dbraw/zinc/77/25/89/573772589.db2.gz FRWOEKALYGAQGK-UHFFFAOYSA-N 0 0 194.278 1.810 10 0 ADAERN OCc1cscc1F 108365429 573772592 /nfs/dbraw/zinc/77/25/92/573772592.db2.gz XPLXMACAVAWAPA-UHFFFAOYSA-N 0 0 132.159 1.380 10 0 ADAERN CC(C)[C@H](C[C@H]1CC[N@H+](C)C1)C(=O)[O-] 258128227 573772604 /nfs/dbraw/zinc/77/26/04/573772604.db2.gz QCUDXEMYTYEKOA-ZJUUUORDSA-N 0 0 199.294 1.685 10 0 ADAERN CCCCCOc1ccc(CO)nn1 40884155 573772612 /nfs/dbraw/zinc/77/26/12/573772612.db2.gz XKRYABOSPVZCFY-UHFFFAOYSA-N 0 0 196.250 1.538 10 0 ADAERN CC(C)[C@@H](C)c1nnc(CN)s1 84116963 573772623 /nfs/dbraw/zinc/77/26/23/573772623.db2.gz NLCJYXVKDHDQSP-ZCFIWIBFSA-N 0 0 185.296 1.756 10 0 ADAERN C/C=C/C(=O)N(CCOC)C(C)C 131175212 573772626 /nfs/dbraw/zinc/77/26/26/573772626.db2.gz OAQWFPHENMFOHO-AATRIKPKSA-N 0 0 185.267 1.446 10 0 ADAERN OC1(CCC(F)(F)F)CC1 84124846 573772672 /nfs/dbraw/zinc/77/26/72/573772672.db2.gz WHVOWXOPHGOZCV-UHFFFAOYSA-N 0 0 154.131 1.854 10 0 ADAERN CC(C)CN(C)c1ccc(CO)cn1 40877539 573772681 /nfs/dbraw/zinc/77/26/81/573772681.db2.gz QAFKHEBARBYRNK-UHFFFAOYSA-N 0 0 194.278 1.666 10 0 ADAERN Oc1ccc2c(c1)OCCCCN2 258423040 573772703 /nfs/dbraw/zinc/77/27/03/573772703.db2.gz WBONINOZQQOXSL-UHFFFAOYSA-N 0 0 179.219 1.977 10 0 ADAERN CC(=O)Nc1nc(C)n2ccccc12 238101805 573772713 /nfs/dbraw/zinc/77/27/13/573772713.db2.gz KPEFZQNYOYJXDJ-UHFFFAOYSA-N 0 0 189.218 1.601 10 0 ADAERN C/C=C/CCNC(=O)[C@H](CC)CO 308435504 573772717 /nfs/dbraw/zinc/77/27/17/573772717.db2.gz WBHQZRNDFBUCCL-HYYFJVDXSA-N 0 0 185.267 1.087 10 0 ADAERN COc1cc(C)c(O)cc1C1(O)CC1 258126412 573772722 /nfs/dbraw/zinc/77/27/22/573772722.db2.gz QZSNFRBVUAFCAK-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CC(C)CN(C)c1ncccc1CO 40877521 573772723 /nfs/dbraw/zinc/77/27/23/573772723.db2.gz LNDPEQIVWIZGPR-UHFFFAOYSA-N 0 0 194.278 1.666 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+][C@@H]1CC[C@@H](C)C1 308435781 573772739 /nfs/dbraw/zinc/77/27/39/573772739.db2.gz NWFHGENZPTXYSV-VGEVTBTPSA-N 0 0 197.278 1.796 10 0 ADAERN CC(C)Cc1cnc2n1CCC[C@H]2O 257874479 573772749 /nfs/dbraw/zinc/77/27/49/573772749.db2.gz UHTPWYPUTGGZAL-SNVBAGLBSA-N 0 0 194.278 1.909 10 0 ADAERN CC[NH2+]Cc1nc2cnccc2n1C 84132317 573772750 /nfs/dbraw/zinc/77/27/50/573772750.db2.gz DDWDKVURVXMGSW-UHFFFAOYSA-N 0 0 190.250 1.078 10 0 ADAERN Cc1ccc(N)c2[nH]cc(CO)c12 238510797 573772758 /nfs/dbraw/zinc/77/27/58/573772758.db2.gz NSNQJWLZVJIWTO-UHFFFAOYSA-N 0 0 176.219 1.551 10 0 ADAERN CN[C@H](C)c1nnc(C(F)F)s1 84119974 573772765 /nfs/dbraw/zinc/77/27/65/573772765.db2.gz PMEOJAKMJMVGOL-GSVOUGTGSA-N 0 0 193.222 1.756 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1CCC[C@@H]1O 238099368 573772770 /nfs/dbraw/zinc/77/27/70/573772770.db2.gz ZNKWTYBVOJOOIK-YUMQZZPRSA-N 0 0 186.251 1.489 10 0 ADAERN CCn1cc(-c2ncccc2N)cn1 122609693 573772782 /nfs/dbraw/zinc/77/27/82/573772782.db2.gz WVXGHLJJTQQMCF-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Cc1ccc2c(c1)NC(=O)C=CN2 238511390 573772795 /nfs/dbraw/zinc/77/27/95/573772795.db2.gz KFNCOVQHPPZVRH-UHFFFAOYSA-N 0 0 174.203 1.873 10 0 ADAERN O=Cc1c(F)coc1Br 108365462 573772805 /nfs/dbraw/zinc/77/28/05/573772805.db2.gz NHDVLVQAFIDYTA-UHFFFAOYSA-N 0 0 192.971 1.994 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1CCC[C@H]1O 238099404 573772807 /nfs/dbraw/zinc/77/28/07/573772807.db2.gz ZNKWTYBVOJOOIK-JGVFFNPUSA-N 0 0 186.251 1.489 10 0 ADAERN C[C@]12CCCC[C@H]1C(=O)NC2 238510755 573772817 /nfs/dbraw/zinc/77/28/17/573772817.db2.gz AOOASDVDOYWUQY-IONNQARKSA-N 0 0 153.225 1.313 10 0 ADAERN CC(C)[C@H]1CCCN1C(=O)C1([NH3+])CC1 84126132 573772837 /nfs/dbraw/zinc/77/28/37/573772837.db2.gz LBJXIEKSHTZJKD-SECBINFHSA-N 0 0 196.294 1.125 10 0 ADAERN CCOC(=O)C(=O)c1c(C)ccn1C 259567914 573772856 /nfs/dbraw/zinc/77/28/56/573772856.db2.gz IXXISEHDJXTODW-UHFFFAOYSA-N 0 0 195.218 1.079 10 0 ADAERN Cc1ccc2[nH]cc(C(=O)C=O)c2c1 238510488 573772865 /nfs/dbraw/zinc/77/28/65/573772865.db2.gz XUHJXXPASVBZQQ-UHFFFAOYSA-N 0 0 187.198 1.858 10 0 ADAERN O=C(OCc1ccccc1)[C@@H]1C[C@@H]1O 257874428 573772866 /nfs/dbraw/zinc/77/28/66/573772866.db2.gz UGEOZHQSYDZDGR-ZJUUUORDSA-N 0 0 192.214 1.111 10 0 ADAERN Cc1ccsc1N(C)CO 258934232 573772874 /nfs/dbraw/zinc/77/28/74/573772874.db2.gz PIRRBVZEIXFAPW-UHFFFAOYSA-N 0 0 157.238 1.443 10 0 ADAERN CC(C)(C)[C@H]1OCC(C)(C)[C@H](O)O1 238099493 573772876 /nfs/dbraw/zinc/77/28/76/573772876.db2.gz YIFOCLQBGYGVFC-SFYZADRCSA-N 0 0 188.267 1.750 10 0 ADAERN O=C1CNc2cc(CO)ccc2S1 258422957 573772883 /nfs/dbraw/zinc/77/28/83/573772883.db2.gz FCLLTHZBOARFMV-UHFFFAOYSA-N 0 0 195.243 1.223 10 0 ADAERN Cc1ccc(N2C[C@@H](O)C=N2)cc1 238510894 573772888 /nfs/dbraw/zinc/77/28/88/573772888.db2.gz JQGGNNLJDPIZDU-JTQLQIEISA-N 0 0 176.219 1.162 10 0 ADAERN CC(C)(c1ccccc1)[C@@H](O)CO 238102227 573772893 /nfs/dbraw/zinc/77/28/93/573772893.db2.gz CHGZOAHEDXBMDL-JTQLQIEISA-N 0 0 180.247 1.317 10 0 ADAERN Cc1ccc(N2C(=O)C=C[C@@H]2O)cc1 238511264 573772911 /nfs/dbraw/zinc/77/29/11/573772911.db2.gz USJPXFYDXRZAKN-JTQLQIEISA-N 0 0 189.214 1.216 10 0 ADAERN COCc1ccc(C(C)=O)[nH]1 108366521 573772913 /nfs/dbraw/zinc/77/29/13/573772913.db2.gz FHPDAGQRDWKMQV-UHFFFAOYSA-N 0 0 153.181 1.364 10 0 ADAERN CONCc1ccc(C[C@@H](C)O)cc1 258126486 573772914 /nfs/dbraw/zinc/77/29/14/573772914.db2.gz RBWWECXPFDSRHZ-SECBINFHSA-N 0 0 195.262 1.261 10 0 ADAERN C[NH2+][C@H](C)c1nc2cnccc2n1C 84132249 573772936 /nfs/dbraw/zinc/77/29/36/573772936.db2.gz MZQKWXXRDVHOML-SSDOTTSWSA-N 0 0 190.250 1.249 10 0 ADAERN CCn1c(C[NH2+]C)nc2cnccc21 84132503 573772961 /nfs/dbraw/zinc/77/29/61/573772961.db2.gz DWKYPYSZFUUCHA-UHFFFAOYSA-N 0 0 190.250 1.171 10 0 ADAERN CCCCNc1cccc(C(N)=O)n1 308719117 573772964 /nfs/dbraw/zinc/77/29/64/573772964.db2.gz CJNVBYPJNOZNJK-UHFFFAOYSA-N 0 0 193.250 1.393 10 0 ADAERN CC(C)(C)Cc1oncc1CO 259180836 573772975 /nfs/dbraw/zinc/77/29/75/573772975.db2.gz JPNRVUYBJXCWIL-UHFFFAOYSA-N 0 0 169.224 1.756 10 0 ADAERN CN(C)[C@H](N)c1cc(F)ccc1F 259567525 573772976 /nfs/dbraw/zinc/77/29/76/573772976.db2.gz OZRVOZXQIIQMJE-VIFPVBQESA-N 0 0 186.205 1.484 10 0 ADAERN Cc1c(-c2ncccc2N)cnn1C 122624390 573773004 /nfs/dbraw/zinc/77/30/04/573773004.db2.gz CNIWHGVNHXECLK-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cc(C)n(-c2ccc(O)cn2)n1 238510610 573773016 /nfs/dbraw/zinc/77/30/16/573773016.db2.gz ASGDFUDBLSBZDV-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]2CCS[C@@H]2C1 259567721 573773020 /nfs/dbraw/zinc/77/30/20/573773020.db2.gz IWRXQBGOYZOQJZ-XLPZGREQSA-N 0 0 186.276 1.691 10 0 ADAERN CC(C)OCC(=O)c1ncccc1F 131160000 573773056 /nfs/dbraw/zinc/77/30/56/573773056.db2.gz PMQJPQZWJUOJCF-UHFFFAOYSA-N 0 0 197.209 1.828 10 0 ADAERN CONCc1ccc(C[C@H](C)O)cc1 258126487 573773061 /nfs/dbraw/zinc/77/30/61/573773061.db2.gz RBWWECXPFDSRHZ-VIFPVBQESA-N 0 0 195.262 1.261 10 0 ADAERN CCO[C@@H](C)C(=O)O[C@H](C)C(C)C 308434986 573773086 /nfs/dbraw/zinc/77/30/86/573773086.db2.gz VUUVVHFXVVZYRM-BDAKNGLRSA-N 0 0 188.267 1.999 10 0 ADAERN CC[C@H](C)N(C)c1ncccc1CO 40865160 573773096 /nfs/dbraw/zinc/77/30/96/573773096.db2.gz WZJKFRWUFQOEPP-VIFPVBQESA-N 0 0 194.278 1.809 10 0 ADAERN Cc1nc(C)c2c(n1)NC(C)(C)C2 238511256 573773132 /nfs/dbraw/zinc/77/31/32/573773132.db2.gz BGERHXKYIGHLBJ-UHFFFAOYSA-N 0 0 177.251 1.840 10 0 ADAERN COCCCC(=O)[C@H]1CCO[C@H]1C 122613875 573773134 /nfs/dbraw/zinc/77/31/34/573773134.db2.gz KCAQIGXEGCIQOP-IUCAKERBSA-N 0 0 186.251 1.407 10 0 ADAERN C[C@@H](N)c1nnc(C(F)F)s1 84117444 573773135 /nfs/dbraw/zinc/77/31/35/573773135.db2.gz YPTFHAGOPLBQTJ-UWTATZPHSA-N 0 0 179.195 1.495 10 0 ADAERN OCc1cnoc1-c1ccco1 259180842 573773144 /nfs/dbraw/zinc/77/31/44/573773144.db2.gz JPRHMQDEQQMNGG-UHFFFAOYSA-N 0 0 165.148 1.427 10 0 ADAERN Cc1c(F)cc(CCON)cc1F 258126508 573773150 /nfs/dbraw/zinc/77/31/50/573773150.db2.gz RCQMANNSGSAIDF-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN COc1cc(F)cc(O)c1[C@H](C)O 258126457 573773155 /nfs/dbraw/zinc/77/31/55/573773155.db2.gz RASORKKFJQUJLA-YFKPBYRVSA-N 0 0 186.182 1.593 10 0 ADAERN CN(C)[C@H](O)c1ccc(F)cc1 259567854 573773158 /nfs/dbraw/zinc/77/31/58/573773158.db2.gz PBSJKEYKQZBGMD-SECBINFHSA-N 0 0 169.199 1.378 10 0 ADAERN C[C@H](C[NH2+]CC1CCC1)CC(=O)[O-] 258932181 573773161 /nfs/dbraw/zinc/77/31/61/573773161.db2.gz RVZLRLXTWJUBOA-QMMMGPOBSA-N 0 0 185.267 1.487 10 0 ADAERN CC(=O)CNc1ccc(F)cc1F 258934179 573773168 /nfs/dbraw/zinc/77/31/68/573773168.db2.gz PGYNYZFEXBFIJX-UHFFFAOYSA-N 0 0 185.173 1.966 10 0 ADAERN Cc1cc(C(F)F)cc(CO)n1 238511496 573773170 /nfs/dbraw/zinc/77/31/70/573773170.db2.gz ZTCMMCJCSKQVCW-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN CNC(NC)c1cc(C)ccc1C 259180187 573773177 /nfs/dbraw/zinc/77/31/77/573773177.db2.gz DRTRRESPFZFHHU-UHFFFAOYSA-N 0 0 178.279 1.741 10 0 ADAERN CC(C)C1CC(n2cnc(CO)c2)C1 714745284 573773180 /nfs/dbraw/zinc/77/31/80/573773180.db2.gz NTXNJMDNHMIREB-UHFFFAOYSA-N 0 0 194.278 1.983 10 0 ADAERN [O-]c1cccnc1C[NH2+]CCC1CC1 308719858 573773183 /nfs/dbraw/zinc/77/31/83/573773183.db2.gz CSJYROXZGPSQBB-UHFFFAOYSA-N 0 0 192.262 1.677 10 0 ADAERN O=C(OCc1ccccc1)[C@H]1C[C@@H]1O 257874425 573773187 /nfs/dbraw/zinc/77/31/87/573773187.db2.gz UGEOZHQSYDZDGR-UWVGGRQHSA-N 0 0 192.214 1.111 10 0 ADAERN CC(=O)NCc1ccccc1N=O 238102136 573773196 /nfs/dbraw/zinc/77/31/96/573773196.db2.gz WJSSPPOHMCCKMD-UHFFFAOYSA-N 0 0 178.191 1.721 10 0 ADAERN Cc1nnn(-c2ccc(F)cc2)c1N 257874507 573773205 /nfs/dbraw/zinc/77/32/05/573773205.db2.gz UIXRUNUNNCNFDZ-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC(=O)[C@]1(C)CC(C)(C)N=N1 238099952 573773213 /nfs/dbraw/zinc/77/32/13/573773213.db2.gz RHJYUBOHISOPEX-QMMMGPOBSA-N 0 0 154.213 1.969 10 0 ADAERN CC[C@H](C)N(C)c1ccc(CO)nn1 40865215 573773214 /nfs/dbraw/zinc/77/32/14/573773214.db2.gz VPLSLRJYSVMNMQ-QMMMGPOBSA-N 0 0 195.266 1.204 10 0 ADAERN Nc1cc(Cc2ccco2)on1 259180984 573773217 /nfs/dbraw/zinc/77/32/17/573773217.db2.gz JSBPAZIWRXCMCP-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Cc1cc2cccc(C(N)=O)c2o1 238510922 573773246 /nfs/dbraw/zinc/77/32/46/573773246.db2.gz DXSNQVHKQIPXOQ-UHFFFAOYSA-N 0 0 175.187 1.840 10 0 ADAERN CC(C)CCOc1ccc(CO)nn1 40883360 573774165 /nfs/dbraw/zinc/77/41/65/573774165.db2.gz JHNATWKPUXXKSI-UHFFFAOYSA-N 0 0 196.250 1.394 10 0 ADAERN C[C@@H](N)c1nnc([C@H]2CCCO2)s1 84117310 573774166 /nfs/dbraw/zinc/77/41/66/573774166.db2.gz MTNNAMNFDVLOCZ-PHDIDXHHSA-N 0 0 199.279 1.409 10 0 ADAERN Cc1cc2ccc(=O)[nH]c2nc1N 238510754 573774170 /nfs/dbraw/zinc/77/41/70/573774170.db2.gz XKRKMOKDJUXEMJ-UHFFFAOYSA-N 0 0 175.191 1.226 10 0 ADAERN COC(=O)C=CNC(C1CC1)C1CC1 308436437 573774180 /nfs/dbraw/zinc/77/41/80/573774180.db2.gz PICVCABNXUJMBB-SREVYHEPSA-N 0 0 195.262 1.451 10 0 ADAERN Cc1nc(-c2cnccc2C)no1 306703024 573774193 /nfs/dbraw/zinc/77/41/93/573774193.db2.gz AQLXUCNLKIGXKQ-UHFFFAOYSA-N 0 0 175.191 1.748 10 0 ADAERN CC(=O)Nc1nc(C)oc1C 238102033 573774194 /nfs/dbraw/zinc/77/41/94/573774194.db2.gz YDHLBAUUKJAFAQ-UHFFFAOYSA-N 0 0 154.169 1.250 10 0 ADAERN Cn1nccc1-c1ncccc1N 122611429 573774202 /nfs/dbraw/zinc/77/42/02/573774202.db2.gz ZAOUQNRECZRYID-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC[C@@H](N)c1nnc(C(F)F)s1 84117859 573774206 /nfs/dbraw/zinc/77/42/06/573774206.db2.gz SPWLAGODZNBHNU-GSVOUGTGSA-N 0 0 193.222 1.886 10 0 ADAERN CCc1[n-]n(CC)c(=O)c1CCC[NH3+] 257874459 573774222 /nfs/dbraw/zinc/77/42/22/573774222.db2.gz DPFSNXJDACUQOJ-UHFFFAOYSA-N 0 0 197.282 1.062 10 0 ADAERN CC(C)CCOc1cc(CO)ccn1 40883354 573774226 /nfs/dbraw/zinc/77/42/26/573774226.db2.gz MRCHZFAMVMJPIT-UHFFFAOYSA-N 0 0 195.262 1.999 10 0 ADAERN C[C@@H]1CN(C)c2cccc(N)c2N1 258422751 573774240 /nfs/dbraw/zinc/77/42/40/573774240.db2.gz DZDFSZUUYBCUMU-SSDOTTSWSA-N 0 0 177.251 1.519 10 0 ADAERN CC(=O)[C@]1(C)SCC[C@@H](O)S1 238101863 573774241 /nfs/dbraw/zinc/77/42/41/573774241.db2.gz QRTXQQRUOYOWCR-NKWVEPMBSA-N 0 0 192.305 1.480 10 0 ADAERN O=Cc1cc(Cl)cc2c1OCO2 108365960 573774256 /nfs/dbraw/zinc/77/42/56/573774256.db2.gz KTVDRGOICKYINE-UHFFFAOYSA-N 0 0 184.578 1.881 10 0 ADAERN CC(=O)CCNc1ccccc1O 238099800 573774299 /nfs/dbraw/zinc/77/42/99/573774299.db2.gz KZTVYJVFFXUQJL-UHFFFAOYSA-N 0 0 179.219 1.783 10 0 ADAERN Cn1cc(-c2c[nH]nc2Cl)cn1 238511286 573774304 /nfs/dbraw/zinc/77/43/04/573774304.db2.gz SWOIWGJIIOEEBJ-UHFFFAOYSA-N 0 0 182.614 1.464 10 0 ADAERN CCO[C@H]1C[C@@H]1NC(=O)CC(C)C 308435152 573774335 /nfs/dbraw/zinc/77/43/35/573774335.db2.gz VWQLMYLQXXSTHV-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN CCN(c1ncccc1CO)C1CC1 40877487 573774337 /nfs/dbraw/zinc/77/43/37/573774337.db2.gz ZKVROOJSTCFEJS-UHFFFAOYSA-N 0 0 192.262 1.563 10 0 ADAERN CC[S@](N)(=O)=N[C@H]1CC[C@@H](C)C1 404785272 573774343 /nfs/dbraw/zinc/77/43/43/573774343.db2.gz ISEYAYFDXWNQHU-RGNHYFCHSA-N 0 0 190.312 1.537 10 0 ADAERN CC1=CC(C)=NC2=NC(=O)CN12 84251176 573774347 /nfs/dbraw/zinc/77/43/47/573774347.db2.gz XPXSVNBISFBCEQ-UHFFFAOYSA-N 0 0 163.180 1.052 10 0 ADAERN CCC(CC)Nc1nn(C)cc1C[NH3+] 127133276 573774348 /nfs/dbraw/zinc/77/43/48/573774348.db2.gz FWAWQWMMGGSLIC-UHFFFAOYSA-N 0 0 196.298 1.479 10 0 ADAERN C/C=C\C(=O)O[C@H](CC)C(=O)OC 308435555 573774363 /nfs/dbraw/zinc/77/43/63/573774363.db2.gz WEABUKTXRFCVMN-FXXDRWHHSA-N 0 0 186.207 1.057 10 0 ADAERN Cc1ccc([C@@H]2CCC(=O)N2)[nH]1 238511077 573774371 /nfs/dbraw/zinc/77/43/71/573774371.db2.gz KFHOJIAFNMJAIY-QMMMGPOBSA-N 0 0 164.208 1.274 10 0 ADAERN CCCN(C)c1ncccc1CO 40865218 573774382 /nfs/dbraw/zinc/77/43/82/573774382.db2.gz NTGUSGQEUOVBSR-UHFFFAOYSA-N 0 0 180.251 1.420 10 0 ADAERN CCN(c1ccc(CO)cn1)C1CC1 40877504 573774391 /nfs/dbraw/zinc/77/43/91/573774391.db2.gz NWEYLTHPVGDJJM-UHFFFAOYSA-N 0 0 192.262 1.563 10 0 ADAERN COC(=O)C1(C(=O)C(C)(C)C)CC1 259178788 573774401 /nfs/dbraw/zinc/77/44/01/573774401.db2.gz QGQAUFCCUQMXIN-UHFFFAOYSA-N 0 0 184.235 1.555 10 0 ADAERN CCCN(CC)c1ncccc1CO 40877274 573774404 /nfs/dbraw/zinc/77/44/04/573774404.db2.gz BGOOEFXCYKWZTR-UHFFFAOYSA-N 0 0 194.278 1.810 10 0 ADAERN Cc1c(OC2CC2)cnn1C 238510541 573774409 /nfs/dbraw/zinc/77/44/09/573774409.db2.gz IPZJEFFKUQKFAQ-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN CC(=O)CCNc1ccc(C)o1 258934131 573774418 /nfs/dbraw/zinc/77/44/18/573774418.db2.gz PFAKEKHEKVXYKB-UHFFFAOYSA-N 0 0 167.208 1.979 10 0 ADAERN CC(C)CN(C)c1ccc(CO)nn1 40877551 573774440 /nfs/dbraw/zinc/77/44/40/573774440.db2.gz AVKRYPGYLNUSKR-UHFFFAOYSA-N 0 0 195.266 1.061 10 0 ADAERN CCCN(CC)c1ccc(CO)nn1 40877306 573774454 /nfs/dbraw/zinc/77/44/54/573774454.db2.gz LCCGQINKBDNZMP-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN CC/C=C\C(=O)OCc1cnns1 308435903 573774467 /nfs/dbraw/zinc/77/44/67/573774467.db2.gz WKGOWDSJUJYXEE-ARJAWSKDSA-N 0 0 198.247 1.548 10 0 ADAERN Cc1cc2ccc(F)cc2n1N 238510191 573774473 /nfs/dbraw/zinc/77/44/73/573774473.db2.gz MFOXSLSRVOJBIP-UHFFFAOYSA-N 0 0 164.183 1.803 10 0 ADAERN CCC[C@@H]([C@@H](C)CC(=O)[O-])[NH+](C)C 259567646 573774484 /nfs/dbraw/zinc/77/44/84/573774484.db2.gz PAFNPKQTKLJROB-IUCAKERBSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@H](N)c1nnc([C@@H]2CCCO2)s1 84117307 573774508 /nfs/dbraw/zinc/77/45/08/573774508.db2.gz MTNNAMNFDVLOCZ-WDSKDSINSA-N 0 0 199.279 1.409 10 0 ADAERN C[C@H](O)Cc1cccc2cnncc12 258126366 573774512 /nfs/dbraw/zinc/77/45/12/573774512.db2.gz QXXDAQXNHFZXPZ-QMMMGPOBSA-N 0 0 188.230 1.553 10 0 ADAERN NC(=O)[C@@H]1CCc2ccc(F)cc2N1 257874484 573774534 /nfs/dbraw/zinc/77/45/34/573774534.db2.gz UHXCFSJNBLFZDV-QMMMGPOBSA-N 0 0 194.209 1.038 10 0 ADAERN CC[C@H](C)Oc1cc(CO)ccn1 40884186 573774535 /nfs/dbraw/zinc/77/45/35/573774535.db2.gz RSQRJIMUIRIRQW-QMMMGPOBSA-N 0 0 181.235 1.751 10 0 ADAERN CC(C)COc1ccc(CO)cn1 40883203 573774550 /nfs/dbraw/zinc/77/45/50/573774550.db2.gz BUZOGMYTAWVKID-UHFFFAOYSA-N 0 0 181.235 1.609 10 0 ADAERN CC(=O)[C@]1(C)C[C@@]1(C)Cl 238101305 573774553 /nfs/dbraw/zinc/77/45/53/573774553.db2.gz ZJULYTBRODYSGA-NKWVEPMBSA-N 0 0 146.617 1.983 10 0 ADAERN CCCCN(C)c1ncccc1CO 40864311 573774563 /nfs/dbraw/zinc/77/45/63/573774563.db2.gz PDTYDAVQVBTHGK-UHFFFAOYSA-N 0 0 194.278 1.810 10 0 ADAERN CCn1c(=NN)[nH]c2c(F)cccc21 258127292 573774566 /nfs/dbraw/zinc/77/45/66/573774566.db2.gz KFMPUUDMCSDAEI-UHFFFAOYSA-N 0 0 194.213 1.481 10 0 ADAERN CCCc1[nH+]cc2c(N)cccn12 258423761 573774572 /nfs/dbraw/zinc/77/45/72/573774572.db2.gz VZJVUGUOROKMGC-UHFFFAOYSA-N 0 0 175.235 1.869 10 0 ADAERN CCc1cc(C)nc(CCC(C)=O)n1 259180904 573774598 /nfs/dbraw/zinc/77/45/98/573774598.db2.gz UXFYCSJJAGWQPJ-UHFFFAOYSA-N 0 0 192.262 1.869 10 0 ADAERN Nc1c2c(nn1C1CCC1)CCOC2 257874370 573774599 /nfs/dbraw/zinc/77/45/99/573774599.db2.gz UFBBYCIWGYVSCJ-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN COC(=O)[C@@H]1C[C@H]2CCS[C@@H]2C1 259567704 573774603 /nfs/dbraw/zinc/77/46/03/573774603.db2.gz IWRXQBGOYZOQJZ-BWZBUEFSSA-N 0 0 186.276 1.691 10 0 ADAERN C[C@@H]1C(=O)Nc2ccc(O)cc2N1C 259180817 573774606 /nfs/dbraw/zinc/77/46/06/573774606.db2.gz JOPYDJVNMKMHIM-ZCFIWIBFSA-N 0 0 192.218 1.169 10 0 ADAERN O=Cc1cccc2c1N1CCN2CC1 100101022 573774621 /nfs/dbraw/zinc/77/46/21/573774621.db2.gz XTLHUIAHKGMMGB-UHFFFAOYSA-N 0 0 188.230 1.139 10 0 ADAERN O=C(c1ccccc1)[C@@H]1N=C1Cl 238510867 573774628 /nfs/dbraw/zinc/77/46/28/573774628.db2.gz DBKYWOLTDIVDBY-ZETCQYMHSA-N 0 0 179.606 1.889 10 0 ADAERN Cc1nc2nc(Cl)ccc2c(=O)o1 238510410 573774633 /nfs/dbraw/zinc/77/46/33/573774633.db2.gz PJSMDYNJVAWYNS-UHFFFAOYSA-N 0 0 196.593 1.545 10 0 ADAERN COc1c(F)ccc(C)c1CON 258126498 573774652 /nfs/dbraw/zinc/77/46/52/573774652.db2.gz RCDVQFKVHWELPD-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN CC1(C)CNc2ccc(N)cc2N1 259180980 573774653 /nfs/dbraw/zinc/77/46/53/573774653.db2.gz JRZJGEPUFLQHFU-UHFFFAOYSA-N 0 0 177.251 1.885 10 0 ADAERN Cc1ccncc1NC(=O)N(C)C 122626544 573774656 /nfs/dbraw/zinc/77/46/56/573774656.db2.gz NPQBYBYCWXJGKX-UHFFFAOYSA-N 0 0 179.223 1.484 10 0 ADAERN Cc1nc2ncccc2cc1N 238511711 573774662 /nfs/dbraw/zinc/77/46/62/573774662.db2.gz HBQUELIOELFPDQ-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN NCc1nc(-c2cccc(F)c2)co1 257875423 573774664 /nfs/dbraw/zinc/77/46/64/573774664.db2.gz ULQXWCSFHTXOEM-UHFFFAOYSA-N 0 0 192.193 1.939 10 0 ADAERN COC(=O)[C@H]1C[C@@H]2SCC[C@H]2C1 259567716 573774673 /nfs/dbraw/zinc/77/46/73/573774673.db2.gz IWRXQBGOYZOQJZ-RNJXMRFFSA-N 0 0 186.276 1.691 10 0 ADAERN CC[C@@H](C)Oc1cc(CO)ccn1 40884184 573774677 /nfs/dbraw/zinc/77/46/77/573774677.db2.gz RSQRJIMUIRIRQW-MRVPVSSYSA-N 0 0 181.235 1.751 10 0 ADAERN CN(C)[C@@H](O)c1ccc(F)cc1 259567858 573774694 /nfs/dbraw/zinc/77/46/94/573774694.db2.gz PBSJKEYKQZBGMD-VIFPVBQESA-N 0 0 169.199 1.378 10 0 ADAERN CC1CCC([NH2+]C/C=C\C(=O)[O-])CC1 308435373 573774729 /nfs/dbraw/zinc/77/47/29/573774729.db2.gz MACRDKVBDGHDCE-IHWYPQMZSA-N 0 0 197.278 1.796 10 0 ADAERN ON(C(F)(F)F)C(F)(F)F 100116655 573774738 /nfs/dbraw/zinc/77/47/38/573774738.db2.gz WCSUJXFRQYJSAW-UHFFFAOYSA-N 0 0 168.016 1.674 10 0 ADAERN O=C(c1ccccc1)[C@H]1N=C1Cl 238510827 573774739 /nfs/dbraw/zinc/77/47/39/573774739.db2.gz DBKYWOLTDIVDBY-SSDOTTSWSA-N 0 0 179.606 1.889 10 0 ADAERN CC(C)[C@@H](C[C@H]1CC[N@H+](C)C1)C(=O)[O-] 258128205 573774746 /nfs/dbraw/zinc/77/47/46/573774746.db2.gz QCUDXEMYTYEKOA-NXEZZACHSA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@H](C)Oc1ncccc1CO 40884159 573774749 /nfs/dbraw/zinc/77/47/49/573774749.db2.gz WWRYNZVFUASYFF-QMMMGPOBSA-N 0 0 181.235 1.751 10 0 ADAERN OCc1cc(OCC2CC2)ccn1 40884020 573774757 /nfs/dbraw/zinc/77/47/57/573774757.db2.gz BTTKRGLIPIKLIM-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN C[C@H]1Oc2nc(Cl)ccc2NC1=O 238510943 573774766 /nfs/dbraw/zinc/77/47/66/573774766.db2.gz GEOPDSWTHWPTHG-SCSAIBSYSA-N 0 0 198.609 1.454 10 0 ADAERN Cc1cc([C@@H]2CCOC2)nc(Cl)n1 238511196 573774772 /nfs/dbraw/zinc/77/47/72/573774772.db2.gz RNLFZKHUYSNILQ-SSDOTTSWSA-N 0 0 198.653 1.942 10 0 ADAERN C[C@H]1CN(C)c2cccc(N)c2N1 258422755 573774775 /nfs/dbraw/zinc/77/47/75/573774775.db2.gz DZDFSZUUYBCUMU-ZETCQYMHSA-N 0 0 177.251 1.519 10 0 ADAERN Cc1occc1-c1nnc(CN)s1 84116975 573774780 /nfs/dbraw/zinc/77/47/80/573774780.db2.gz PRUBVASXUGYWRE-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN C[C@H]1O[C@H]1/C=C/Br 238510744 573774781 /nfs/dbraw/zinc/77/47/81/573774781.db2.gz ONEFUUSVGLGVDR-ZRUBAPSRSA-N 0 0 163.014 1.682 10 0 ADAERN CC[C@H](C)Oc1ccc(CO)nn1 40884194 573774802 /nfs/dbraw/zinc/77/48/02/573774802.db2.gz UNQCPHUOAAWOHX-ZETCQYMHSA-N 0 0 182.223 1.146 10 0 ADAERN OCc1cccnc1OCC1CC1 40884014 573774819 /nfs/dbraw/zinc/77/48/19/573774819.db2.gz MUODPISQIKCUPJ-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN CCC[C@H](O)COc1ccccc1O 258127474 573774822 /nfs/dbraw/zinc/77/48/22/573774822.db2.gz LRRNSFJHZOACEX-VIFPVBQESA-N 0 0 196.246 1.932 10 0 ADAERN Cc1nc(C)c2c(n1)NC=CC2 238511283 573774830 /nfs/dbraw/zinc/77/48/30/573774830.db2.gz CONXGXKXLWJLIM-UHFFFAOYSA-N 0 0 161.208 1.575 10 0 ADAERN Cc1nn(C)cc1-c1ncccc1N 122622719 573774832 /nfs/dbraw/zinc/77/48/32/573774832.db2.gz ZGRRGGPUNJZURL-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@@H]1COc2c(O)cccc2N1 259180889 573774843 /nfs/dbraw/zinc/77/48/43/573774843.db2.gz JQOSMLZPTJJBKU-ZCFIWIBFSA-N 0 0 165.192 1.585 10 0 ADAERN CC(C)(CCO)c1cnco1 238101233 573774869 /nfs/dbraw/zinc/77/48/69/573774869.db2.gz VDIKTJGRWNQRQQ-UHFFFAOYSA-N 0 0 155.197 1.335 10 0 ADAERN OCc1cnoc1[C@H]1CCCOC1 259180880 573774883 /nfs/dbraw/zinc/77/48/83/573774883.db2.gz JQIVPLPHNDZPLP-ZETCQYMHSA-N 0 0 183.207 1.061 10 0 ADAERN CCCCOc1cc(CO)ccn1 40884132 573774902 /nfs/dbraw/zinc/77/49/02/573774902.db2.gz JOGQOSGMJQBELZ-UHFFFAOYSA-N 0 0 181.235 1.753 10 0 ADAERN OCCCc1cccc2c1CCOC2 258126375 573774903 /nfs/dbraw/zinc/77/49/03/573774903.db2.gz QYFCHONFKJVQAZ-UHFFFAOYSA-N 0 0 192.258 1.684 10 0 ADAERN CCCCCNC1(C(=O)OC)CC1 308435118 573774904 /nfs/dbraw/zinc/77/49/04/573774904.db2.gz VVARCPSMSFCBAI-UHFFFAOYSA-N 0 0 185.267 1.472 10 0 ADAERN CC(C)[N@@H+]1C[C@@H](C(=O)[O-])CCC1(C)C 259567304 573774909 /nfs/dbraw/zinc/77/49/09/573774909.db2.gz YKQVIPNQCHQNQS-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN CCO[C@@H]1C[C@H]1NC(=O)CC(C)C 308435154 573774922 /nfs/dbraw/zinc/77/49/22/573774922.db2.gz VWQLMYLQXXSTHV-RKDXNWHRSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)(C)Cc1nnc(CN)s1 84116966 573774926 /nfs/dbraw/zinc/77/49/26/573774926.db2.gz HIWSHZFVFNWGAZ-UHFFFAOYSA-N 0 0 185.296 1.585 10 0 ADAERN Cn1cccc1[C@@H]([NH3+])C(C)(C)C(=O)[O-] 238510991 573774928 /nfs/dbraw/zinc/77/49/28/573774928.db2.gz NSABWAZEOQUUCD-MRVPVSSYSA-N 0 0 196.250 1.136 10 0 ADAERN CC1(CO)OCc2ccccc2CO1 258127424 573774937 /nfs/dbraw/zinc/77/49/37/573774937.db2.gz KHCGIXKHLZBZAU-UHFFFAOYSA-N 0 0 194.230 1.442 10 0 ADAERN CCCn1c(=O)[nH]c2cccc(O)c21 257874857 573774953 /nfs/dbraw/zinc/77/49/53/573774953.db2.gz GDDIFVQNYUSGAD-UHFFFAOYSA-N 0 0 192.218 1.445 10 0 ADAERN Cc1ccncc1NC(=O)NC1CC1 122625984 573774960 /nfs/dbraw/zinc/77/49/60/573774960.db2.gz VCLNFIPQNMMZTL-UHFFFAOYSA-N 0 0 191.234 1.674 10 0 ADAERN CCCCCN(C)C(=O)C1(CO)CC1 258931750 573774144 /nfs/dbraw/zinc/77/41/44/573774144.db2.gz LMTMOZQTFFQEBB-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CNCNc1cc(F)ccc1OC 258940505 573776286 /nfs/dbraw/zinc/77/62/86/573776286.db2.gz SZADGOJFVDLIPH-UHFFFAOYSA-N 0 0 184.214 1.423 10 0 ADAERN CCn1c(N)nc2cnccc21 84132416 573776326 /nfs/dbraw/zinc/77/63/26/573776326.db2.gz POFPOFJKKUVJJP-UHFFFAOYSA-N 0 0 162.196 1.033 10 0 ADAERN C[C@@H](N)c1nnc([C@@H]2CCCO2)s1 84117308 573776329 /nfs/dbraw/zinc/77/63/29/573776329.db2.gz MTNNAMNFDVLOCZ-RITPCOANSA-N 0 0 199.279 1.409 10 0 ADAERN Cc1nc(C)c(N)c(Cl)c1N 238512305 573776351 /nfs/dbraw/zinc/77/63/51/573776351.db2.gz PIILEHKHLCGMTM-UHFFFAOYSA-N 0 0 171.631 1.516 10 0 ADAERN CC(C)n1ccnc1[C@@H]1COCCN1 76136915 573776360 /nfs/dbraw/zinc/77/63/60/573776360.db2.gz AXFNEKIMMYGSNR-VIFPVBQESA-N 0 0 195.266 1.125 10 0 ADAERN Cn1cccc1[C@@H]1C=CNC(Cl)=N1 238513744 573776368 /nfs/dbraw/zinc/77/63/68/573776368.db2.gz AJHTUZIMVPOQDR-ZETCQYMHSA-N 0 0 195.653 1.778 10 0 ADAERN Cc1nc(C)c([C@H](O)C(F)(F)F)[nH]1 238512839 573776390 /nfs/dbraw/zinc/77/63/90/573776390.db2.gz KRZICJJROKTERS-LURJTMIESA-N 0 0 194.156 1.622 10 0 ADAERN C[C@]12CCCC[C@]1(O)CC(=O)C2 238512578 573776400 /nfs/dbraw/zinc/77/64/00/573776400.db2.gz CZMIGRIBILJSNE-ZJUUUORDSA-N 0 0 168.236 1.661 10 0 ADAERN COC(=O)[C@](C)(F)c1ccccc1O 257877196 573776409 /nfs/dbraw/zinc/77/64/09/573776409.db2.gz USEAEBYNWFDGCD-SNVBAGLBSA-N 0 0 198.193 1.750 10 0 ADAERN Nc1nnc(CCC(F)(F)F)s1 84123857 573776414 /nfs/dbraw/zinc/77/64/14/573776414.db2.gz ZHJYQHSETUARAF-UHFFFAOYSA-N 0 0 197.185 1.615 10 0 ADAERN Cc1cc(C(F)F)cnc1N 238512304 573776424 /nfs/dbraw/zinc/77/64/24/573776424.db2.gz FLUBKQSAMBHHSI-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CC(C)n1c(CO)nc2c1CCCC2 76121998 573776430 /nfs/dbraw/zinc/77/64/30/573776430.db2.gz BMVRDAFIVITZCE-UHFFFAOYSA-N 0 0 194.278 1.835 10 0 ADAERN Cc1ccc(Cl)cc1[C@@H]([NH3+])C(=O)[O-] 76135431 573776443 /nfs/dbraw/zinc/77/64/43/573776443.db2.gz SMYANTCUNKZWFW-MRVPVSSYSA-N 0 0 199.637 1.733 10 0 ADAERN CC(C)[C@@H]1CCCN1C=O 84128315 573776444 /nfs/dbraw/zinc/77/64/44/573776444.db2.gz XLCVQVLGTMLFIA-QMMMGPOBSA-N 0 0 141.214 1.263 10 0 ADAERN CC(C)[C@H]1CCCN1C(N)=S 84125814 573776449 /nfs/dbraw/zinc/77/64/49/573776449.db2.gz CQZFKGISFGOWSA-SSDOTTSWSA-N 0 0 172.297 1.350 10 0 ADAERN O[C@@]12CC[C@H]1c1ccccc12 100205645 573776464 /nfs/dbraw/zinc/77/64/64/573776464.db2.gz VFAXRGMYEDYTFF-VHSXEESVSA-N 0 0 146.189 1.765 10 0 ADAERN C[C@]12CCCO[C@@H]1CC(=O)CC2 238513206 573776479 /nfs/dbraw/zinc/77/64/79/573776479.db2.gz WMTISAXRUFDQEY-NXEZZACHSA-N 0 0 168.236 1.925 10 0 ADAERN CNCc1nnc([C@@H]2CCCO2)s1 84118417 573776483 /nfs/dbraw/zinc/77/64/83/573776483.db2.gz MTJNLFRRTGNBGO-LURJTMIESA-N 0 0 199.279 1.109 10 0 ADAERN C[C@H]1SC(C)(C)C1=O 238512515 573776487 /nfs/dbraw/zinc/77/64/87/573776487.db2.gz UEOGYTKTXVPSCN-SCSAIBSYSA-N 0 0 130.212 1.469 10 0 ADAERN O[C@]12CC[C@@H]1c1ccccc12 100205640 573776506 /nfs/dbraw/zinc/77/65/06/573776506.db2.gz VFAXRGMYEDYTFF-ZJUUUORDSA-N 0 0 146.189 1.765 10 0 ADAERN Cn1cc2c(C(=O)[O-])ccc-2c[nH+]1 238512491 573776509 /nfs/dbraw/zinc/77/65/09/573776509.db2.gz PRCVGPCBAWIDQS-UHFFFAOYSA-N 0 0 176.175 1.223 10 0 ADAERN C[C@]12CCC[C@@H](O)[C@@H]1CCC2=O 238513867 573776517 /nfs/dbraw/zinc/77/65/17/573776517.db2.gz KAKDCKKWTWMXKE-XKSSXDPKSA-N 0 0 168.236 1.517 10 0 ADAERN CCCc1nnc(CNC2CC2)s1 84119344 573776525 /nfs/dbraw/zinc/77/65/25/573776525.db2.gz ZQDBCYYEDQQVPI-UHFFFAOYSA-N 0 0 197.307 1.743 10 0 ADAERN [NH3+]Cc1nc2cnccc2n1C1CC1 84132712 573776545 /nfs/dbraw/zinc/77/65/45/573776545.db2.gz BTDWRZZIECHKOR-UHFFFAOYSA-N 0 0 188.234 1.225 10 0 ADAERN O=Cc1ccc2c(c1)OCS2 108367494 573776626 /nfs/dbraw/zinc/77/66/26/573776626.db2.gz KOGOWSGRKGKVBT-UHFFFAOYSA-N 0 0 166.201 1.941 10 0 ADAERN C[C@H](N)c1nnc(C(F)F)s1 84117443 573776652 /nfs/dbraw/zinc/77/66/52/573776652.db2.gz YPTFHAGOPLBQTJ-REOHCLBHSA-N 0 0 179.195 1.495 10 0 ADAERN CC(=O)O[C@]1(C)CCC[C@H](O)C1 238108240 573776659 /nfs/dbraw/zinc/77/66/59/573776659.db2.gz HJHLAGOHFSYJLK-DTWKUNHWSA-N 0 0 172.224 1.243 10 0 ADAERN Cc1nc(C)c(NC=O)c(Cl)n1 238512429 573776660 /nfs/dbraw/zinc/77/66/60/573776660.db2.gz YOZFMASAIDNPMK-UHFFFAOYSA-N 0 0 185.614 1.315 10 0 ADAERN Cc1c(N)nn(C)c1[C@H]1CCCCO1 257876318 573776671 /nfs/dbraw/zinc/77/66/71/573776671.db2.gz UQCDCNDCKBRSHV-MRVPVSSYSA-N 0 0 195.266 1.552 10 0 ADAERN O=c1cc[nH]c2nc3ccccc3n12 100178718 573776707 /nfs/dbraw/zinc/77/67/07/573776707.db2.gz CGZQZQJXCXOPDW-UHFFFAOYSA-N 0 0 185.186 1.176 10 0 ADAERN CC(=O)[C@]12CCC[C@@H]1C[C@@H](O)C2 238107793 573776722 /nfs/dbraw/zinc/77/67/22/573776722.db2.gz VTSYKYCUMKRLGJ-OPRDCNLKSA-N 0 0 168.236 1.517 10 0 ADAERN OC[C@H]1CCc2cc(O)ccc2C1 108369254 573776733 /nfs/dbraw/zinc/77/67/33/573776733.db2.gz WXXXHQWZICJNOM-QMMMGPOBSA-N 0 0 178.231 1.489 10 0 ADAERN CC(=O)[C@]12CCC[C@@H]1CC[C@@H](O)C2 238107710 573776739 /nfs/dbraw/zinc/77/67/39/573776739.db2.gz OJAORKZIQZPXIC-GMTAPVOTSA-N 0 0 182.263 1.907 10 0 ADAERN C[C@H](O)c1nc2c([nH]1)CCCC2 76122027 573776743 /nfs/dbraw/zinc/77/67/43/573776743.db2.gz JDNTYJPGYGWVSD-LURJTMIESA-N 0 0 166.224 1.342 10 0 ADAERN C[C@H](O)c1ccc2c(c1)CN(C)C2 258117741 573776748 /nfs/dbraw/zinc/77/67/48/573776748.db2.gz ZRGPNDWXHMDATF-QMMMGPOBSA-N 0 0 177.247 1.685 10 0 ADAERN O=C1NN=C(C2CCC2)C1F 108366684 573776753 /nfs/dbraw/zinc/77/67/53/573776753.db2.gz WMTKJHBAGKDIIH-UHFFFAOYSA-N 0 0 156.160 1.522 10 0 ADAERN Cc1cnc(C)c(C)c1CO 238512728 573776764 /nfs/dbraw/zinc/77/67/64/573776764.db2.gz XGUBFTOLDCLFLG-UHFFFAOYSA-N 0 0 151.209 1.499 10 0 ADAERN C[C@@H](O)c1nc2c([nH]1)CCCC2 76122028 573776772 /nfs/dbraw/zinc/77/67/72/573776772.db2.gz JDNTYJPGYGWVSD-ZCFIWIBFSA-N 0 0 166.224 1.342 10 0 ADAERN CC(C)n1cc(N)nc1C[NH2+]C1CC1 257875825 573776785 /nfs/dbraw/zinc/77/67/85/573776785.db2.gz JBZHOSSSDLFPHK-UHFFFAOYSA-N 0 0 194.282 1.298 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)CN(C)C2 258117724 573776788 /nfs/dbraw/zinc/77/67/88/573776788.db2.gz ZRGPNDWXHMDATF-MRVPVSSYSA-N 0 0 177.247 1.685 10 0 ADAERN Cc1ccsc1-c1cc(CO)[nH]n1 84122123 573776811 /nfs/dbraw/zinc/77/68/11/573776811.db2.gz QALVEHTUAGCGCZ-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN OCc1cc(C2CCCC2)n[nH]1 84122109 573776837 /nfs/dbraw/zinc/77/68/37/573776837.db2.gz CIAPNMIGVUHHKH-UHFFFAOYSA-N 0 0 166.224 1.560 10 0 ADAERN C=Cc1nc(C)c(O)c(C=O)c1CO 238513592 573776838 /nfs/dbraw/zinc/77/68/38/573776838.db2.gz WOACGQJWDRCCLA-UHFFFAOYSA-N 0 0 193.202 1.043 10 0 ADAERN Cc1cc(/C=C\[N+](=O)[O-])c(C)n1C 211230179 573776840 /nfs/dbraw/zinc/77/68/40/573776840.db2.gz BMOZMGOFIUNTJB-PLNGDYQASA-N 0 0 180.207 1.889 10 0 ADAERN C[C@]12CCCO[C@H]1CCCC2=O 238513278 573776861 /nfs/dbraw/zinc/77/68/61/573776861.db2.gz OHNFXOHRPQEXHY-VHSXEESVSA-N 0 0 168.236 1.925 10 0 ADAERN [NH3+][C@H](CCCC(=O)[O-])c1cc[nH]c1 259569853 573776877 /nfs/dbraw/zinc/77/68/77/573776877.db2.gz YLPQEJWMFWAZOP-MRVPVSSYSA-N 0 0 182.223 1.269 10 0 ADAERN Cc1c(N)c(=O)oc2cc(F)ccc12 238512522 573776890 /nfs/dbraw/zinc/77/68/90/573776890.db2.gz OMCRJTDAPZWCKO-UHFFFAOYSA-N 0 0 193.177 1.823 10 0 ADAERN Cc1ccc2c(c1)OC(=O)C2=O 238512526 573776918 /nfs/dbraw/zinc/77/69/18/573776918.db2.gz YKMDDPGFMVLEEK-UHFFFAOYSA-N 0 0 162.144 1.097 10 0 ADAERN CCn1cc(CO)c2c(O)cccc21 257876690 573776927 /nfs/dbraw/zinc/77/69/27/573776927.db2.gz JETPOSGWSWHFAD-UHFFFAOYSA-N 0 0 191.230 1.859 10 0 ADAERN CC(=O)c1c(F)ccc2c1OCO2 108369758 573776941 /nfs/dbraw/zinc/77/69/41/573776941.db2.gz RAVSUZXLZKITKW-UHFFFAOYSA-N 0 0 182.150 1.757 10 0 ADAERN COc1ccc2c(c1)NC[C@@H](C)N2 125082125 573776946 /nfs/dbraw/zinc/77/69/46/573776946.db2.gz ABWRTJOSJMFSFD-SSDOTTSWSA-N 0 0 178.235 1.921 10 0 ADAERN CN1N=C(C2CC2)C(F)C1=O 108366680 573776968 /nfs/dbraw/zinc/77/69/68/573776968.db2.gz NGXCOZBOZATUIJ-UHFFFAOYSA-N 0 0 156.160 1.142 10 0 ADAERN OCc1cc(-c2ccccc2F)n[nH]1 84122105 573776974 /nfs/dbraw/zinc/77/69/74/573776974.db2.gz PUAIDISZGAAWSB-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN Cc1cc(F)c(O)c(CCO)c1 258117843 573777000 /nfs/dbraw/zinc/77/70/00/573777000.db2.gz ZSJIHSNJDWIOIS-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN C[C@]12CCCO[C@H]1CC(=O)CC2 238513262 573777003 /nfs/dbraw/zinc/77/70/03/573777003.db2.gz WMTISAXRUFDQEY-VHSXEESVSA-N 0 0 168.236 1.925 10 0 ADAERN CC(C)C1CC=CC(=O)C(=O)C1 238108042 573777021 /nfs/dbraw/zinc/77/70/21/573777021.db2.gz UCALBPWVULQMJC-SECBINFHSA-N 0 0 166.220 1.941 10 0 ADAERN C1CCn2c(nnc2[C@@H]2CCCO2)C1 258423678 573777023 /nfs/dbraw/zinc/77/70/23/573777023.db2.gz VXXOCNRYCZMGIZ-QMMMGPOBSA-N 0 0 193.250 1.466 10 0 ADAERN Cc1cc2c(cc1N)CCC(=O)N2 257876123 573777026 /nfs/dbraw/zinc/77/70/26/573777026.db2.gz GGHPSYOXFZZYOD-UHFFFAOYSA-N 0 0 176.219 1.462 10 0 ADAERN OCC[C@H](F)C1CCC1 257876692 573777032 /nfs/dbraw/zinc/77/70/32/573777032.db2.gz ZMJZTAXOMVOEBI-ZETCQYMHSA-N 0 0 132.178 1.507 10 0 ADAERN CC(C)C1=CCC[C@]1([NH3+])C(=O)[O-] 238108731 573777037 /nfs/dbraw/zinc/77/70/37/573777037.db2.gz AQEJWMXANIGZAP-SECBINFHSA-N 0 0 169.224 1.145 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)C2)c(C)s1 238513220 573777061 /nfs/dbraw/zinc/77/70/61/573777061.db2.gz NXKJVHZKYFUOIZ-QMMMGPOBSA-N 0 0 195.287 1.968 10 0 ADAERN COc1cccc2c1[C@@H]1C[C@@H]1N2 257876219 573777065 /nfs/dbraw/zinc/77/70/65/573777065.db2.gz GJQXMRKHHONYKH-SVRRBLITSA-N 0 0 161.204 1.977 10 0 ADAERN COc1c(O)cc(C(C)=O)cc1F 258118833 573777070 /nfs/dbraw/zinc/77/70/70/573777070.db2.gz QMELLJAHZJBMEB-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN Nc1cc2sccc2[nH]c1=O 258117847 573778291 /nfs/dbraw/zinc/77/82/91/573778291.db2.gz ZSKNKAOYKYWOFZ-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc(CN)s1 84116924 573778294 /nfs/dbraw/zinc/77/82/94/573778294.db2.gz ITSCQTACZWJKHR-WHFBIAKZSA-N 0 0 169.253 1.120 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)C2)cnc1F 238513588 573778298 /nfs/dbraw/zinc/77/82/98/573778298.db2.gz NHINIFDAOZMIOX-QMMMGPOBSA-N 0 0 194.209 1.133 10 0 ADAERN CC(C)C[C@H](C)N(C)N 87100854 573779060 /nfs/dbraw/zinc/77/90/60/573779060.db2.gz AWUNIIIZINAJQN-ZETCQYMHSA-N 0 0 130.235 1.227 10 0 ADAERN c1nc2c3c(n1)ncn3CCCCN2 238108831 573779068 /nfs/dbraw/zinc/77/90/68/573779068.db2.gz DUURXEITHWEXNS-UHFFFAOYSA-N 0 0 189.222 1.032 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)C2)c(C)n1C 238513170 573779070 /nfs/dbraw/zinc/77/90/70/573779070.db2.gz LQCNCYVHUNYAHT-VIFPVBQESA-N 0 0 192.262 1.245 10 0 ADAERN Cn1c(N)cnc1Oc1ccccc1 257875850 573779084 /nfs/dbraw/zinc/77/90/84/573779084.db2.gz JCNBQBKVIPQBGN-UHFFFAOYSA-N 0 0 189.218 1.795 10 0 ADAERN CCCNc1nc2ccc(C)cn2n1 87101476 573779093 /nfs/dbraw/zinc/77/90/93/573779093.db2.gz MAYTYVJATFEFTJ-UHFFFAOYSA-N 0 0 190.250 1.860 10 0 ADAERN C[C@H]1CCCCCN1N 87100665 573779098 /nfs/dbraw/zinc/77/90/98/573779098.db2.gz SJDUEVBZURAGGW-ZETCQYMHSA-N 0 0 128.219 1.125 10 0 ADAERN CCCNc1nc2ccccn2n1 87100994 573778308 /nfs/dbraw/zinc/77/83/08/573778308.db2.gz PZTIHUOYCPYOJN-UHFFFAOYSA-N 0 0 176.223 1.551 10 0 ADAERN CC(C)CCCCn1nnnc1N 147869693 573778334 /nfs/dbraw/zinc/77/83/34/573778334.db2.gz IFFLDVCDMVMJBQ-UHFFFAOYSA-N 0 0 183.259 1.082 10 0 ADAERN CC(C)[N@H+](C)C[C@@H](C)CC(=O)[O-] 258935480 573778336 /nfs/dbraw/zinc/77/83/36/573778336.db2.gz SHCMXCHFEGNCMV-QMMMGPOBSA-N 0 0 173.256 1.437 10 0 ADAERN C[C@H]1CCCC[C@@H]1N(C)N 87100825 573778351 /nfs/dbraw/zinc/77/83/51/573778351.db2.gz JVIOKFXJDYLCJB-YUMQZZPRSA-N 0 0 142.246 1.371 10 0 ADAERN OC[C@@H]1Cc2ccc(F)cc2O1 108367591 573778362 /nfs/dbraw/zinc/77/83/62/573778362.db2.gz RPMUNBCWYXOEIM-QMMMGPOBSA-N 0 0 168.167 1.122 10 0 ADAERN C[C@]1(CO)Cc2cccc(F)c2O1 108369780 573778380 /nfs/dbraw/zinc/77/83/80/573778380.db2.gz PJHABISRQXEXGL-SNVBAGLBSA-N 0 0 182.194 1.512 10 0 ADAERN CC(=O)CCn1cncc1C 238108258 573778448 /nfs/dbraw/zinc/77/84/48/573778448.db2.gz PFKDUAURCZLNHZ-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN C[C@H](O)C(F)(F)CC1CCOCC1 257875464 573778452 /nfs/dbraw/zinc/77/84/52/573778452.db2.gz ULYQTTJJBZXOLV-ZETCQYMHSA-N 0 0 194.221 1.819 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)C2)ccc1O 238513532 573778453 /nfs/dbraw/zinc/77/84/53/573778453.db2.gz FKLPHVCMLUNYDV-VIFPVBQESA-N 0 0 191.230 1.304 10 0 ADAERN CC(C)n1c2c([nH]c1=O)CCCN2 76131525 573778476 /nfs/dbraw/zinc/77/84/76/573778476.db2.gz AWJFDFNJEGJWGJ-UHFFFAOYSA-N 0 0 181.239 1.528 10 0 ADAERN Nc1ccccc1[C@@H]1COC(=O)N1 108369188 573778480 /nfs/dbraw/zinc/77/84/80/573778480.db2.gz HOKBVWAOIGJNPJ-QMMMGPOBSA-N 0 0 178.191 1.050 10 0 ADAERN CC(C)[C@H](C)c1nnc(CN)s1 84116964 573778482 /nfs/dbraw/zinc/77/84/82/573778482.db2.gz NLCJYXVKDHDQSP-LURJTMIESA-N 0 0 185.296 1.756 10 0 ADAERN CCc1c(C)nc(CCOC)nc1N 50845546 573778497 /nfs/dbraw/zinc/77/84/97/573778497.db2.gz HSUOJGDZYWNION-UHFFFAOYSA-N 0 0 195.266 1.119 10 0 ADAERN CCCn1c(C[NH3+])nc2cnccc21 84132579 573778499 /nfs/dbraw/zinc/77/84/99/573778499.db2.gz ACZJDYDPYFSIPT-UHFFFAOYSA-N 0 0 190.250 1.300 10 0 ADAERN CNOCCCc1ccccc1F 258117949 573778514 /nfs/dbraw/zinc/77/85/14/573778514.db2.gz ZFXSMVALGPUDPC-UHFFFAOYSA-N 0 0 183.226 1.909 10 0 ADAERN Oc1cccc(OCc2ncco2)c1 257875803 573778532 /nfs/dbraw/zinc/77/85/32/573778532.db2.gz JBLREKGZPIXOBQ-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN CC[C@H](CN[C@@H]1CCOC1=O)C(C)C 308733359 573778538 /nfs/dbraw/zinc/77/85/38/573778538.db2.gz KMECRAKLPBNACR-NXEZZACHSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1ccc(F)c(CCON)c1O 258118584 573778547 /nfs/dbraw/zinc/77/85/47/573778547.db2.gz QHOVKNXPXMOAOX-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN CO[C@]1(CO)CCc2cc(O)ccc21 257876256 573778549 /nfs/dbraw/zinc/77/85/49/573778549.db2.gz UOSUFOBGUBYUNL-NSHDSACASA-N 0 0 194.230 1.172 10 0 ADAERN Cc1ccc2c(=O)ccccc2n1 238513314 573778554 /nfs/dbraw/zinc/77/85/54/573778554.db2.gz KYYDBQULQMNENC-UHFFFAOYSA-N 0 0 171.199 1.903 10 0 ADAERN Cc1ccn2nc(NC3CC3)nc2c1 87101544 573778566 /nfs/dbraw/zinc/77/85/66/573778566.db2.gz KQBKTQPVDOSOIX-UHFFFAOYSA-N 0 0 188.234 1.612 10 0 ADAERN CC(=O)O[C@]1(Cl)CCCC[C@@H]1O 238108700 573778568 /nfs/dbraw/zinc/77/85/68/573778568.db2.gz ZZJSCCLRBDQKMP-JGVFFNPUSA-N 0 0 192.642 1.420 10 0 ADAERN Cn1cccc1[C@H]1C=CNC(Cl)=N1 238512210 573778585 /nfs/dbraw/zinc/77/85/85/573778585.db2.gz AJHTUZIMVPOQDR-SSDOTTSWSA-N 0 0 195.653 1.778 10 0 ADAERN CC(=O)[C@]12CCC[C@@H]1CN=N2 238107752 573778587 /nfs/dbraw/zinc/77/85/87/573778587.db2.gz STHGBPBJNGYFMJ-HTQZYQBOSA-N 0 0 152.197 1.580 10 0 ADAERN Nc1cc(F)ccc1C[C@H]1CCOC1 257876240 573778621 /nfs/dbraw/zinc/77/86/21/573778621.db2.gz UNJFYVQERUPDNC-MRVPVSSYSA-N 0 0 195.237 1.987 10 0 ADAERN COCc1ccc(C(C)=O)n1C 108367529 573778622 /nfs/dbraw/zinc/77/86/22/573778622.db2.gz QXFUZUUJZRPLDS-UHFFFAOYSA-N 0 0 167.208 1.374 10 0 ADAERN Cc1c(N)c(C(F)F)c[nH]c1=O 238513496 573778625 /nfs/dbraw/zinc/77/86/25/573778625.db2.gz JRWIIWXNPWTODJ-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN OC[C@H]1Cc2cccc(F)c2O1 108367587 573778631 /nfs/dbraw/zinc/77/86/31/573778631.db2.gz UWOCHNNRMCCPTF-SSDOTTSWSA-N 0 0 168.167 1.122 10 0 ADAERN O[C@@H]1CCc2nc(C3CC3)[nH]c2C1 257877043 573778643 /nfs/dbraw/zinc/77/86/43/573778643.db2.gz FFFNLIMBJPOEJI-SSDOTTSWSA-N 0 0 178.235 1.137 10 0 ADAERN CN[C@@H](C)c1nnc(C(F)F)s1 84119972 573778648 /nfs/dbraw/zinc/77/86/48/573778648.db2.gz PMEOJAKMJMVGOL-VKHMYHEASA-N 0 0 193.222 1.756 10 0 ADAERN Nc1nc2cnccc2n1C1CC1 84132706 573778666 /nfs/dbraw/zinc/77/86/66/573778666.db2.gz UJKLOGRFBLXAAU-UHFFFAOYSA-N 0 0 174.207 1.348 10 0 ADAERN CC(=O)CC[C@]1(C)CO1 238106401 573778708 /nfs/dbraw/zinc/77/87/08/573778708.db2.gz GJTIGQZURAGZCN-SSDOTTSWSA-N 0 0 128.171 1.145 10 0 ADAERN C[C@@H]1C(=O)O[C@H](c2ccoc2)C[C@@H]1O 238513216 573778719 /nfs/dbraw/zinc/77/87/19/573778719.db2.gz GCVDNDZYJDLTDQ-XVYDVKMFSA-N 0 0 196.202 1.265 10 0 ADAERN CC(=O)CCn1cnc(C)c1 238108215 573778739 /nfs/dbraw/zinc/77/87/39/573778739.db2.gz KSUDGSPALVXZNC-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN CC[C@@H]([NH3+])c1nc2cnccc2n1C 84132161 573778741 /nfs/dbraw/zinc/77/87/41/573778741.db2.gz ACSRYBDJHHCTMP-SSDOTTSWSA-N 0 0 190.250 1.378 10 0 ADAERN C[C@H](O)C[C@H]1COc2cccc(O)c21 258118249 573778753 /nfs/dbraw/zinc/77/87/53/573778753.db2.gz OZBJBSGPWNLRRF-YUMQZZPRSA-N 0 0 194.230 1.639 10 0 ADAERN CCCNc1nc2cc(C)ccn2n1 87101468 573778755 /nfs/dbraw/zinc/77/87/55/573778755.db2.gz QWUMTWVNMAEKPW-UHFFFAOYSA-N 0 0 190.250 1.860 10 0 ADAERN CC1(C)CCC[C@](C)(C(=O)[O-])[NH2+]1 258117442 573778771 /nfs/dbraw/zinc/77/87/71/573778771.db2.gz ZPWKXEGIUPCHLD-SECBINFHSA-N 0 0 171.240 1.382 10 0 ADAERN C[C@H]1C[C@H]1c1nnc(CN)s1 84116928 573778810 /nfs/dbraw/zinc/77/88/10/573778810.db2.gz ITSCQTACZWJKHR-CRCLSJGQSA-N 0 0 169.253 1.120 10 0 ADAERN Cn1nc(C2CCCC2)cc(N)c1=O 258117875 573778811 /nfs/dbraw/zinc/77/88/11/573778811.db2.gz ZDTOYFOILWBZTR-UHFFFAOYSA-N 0 0 193.250 1.020 10 0 ADAERN Cc1ccc2c(c1)O[C@@H](CO)C2 108367393 573778816 /nfs/dbraw/zinc/77/88/16/573778816.db2.gz HHXPVSPZXFEXBJ-SECBINFHSA-N 0 0 164.204 1.291 10 0 ADAERN Cc1ccccc1CC[C@@H](C)NN 127155343 573778826 /nfs/dbraw/zinc/77/88/26/573778826.db2.gz QWMOLCPVYNHECC-SNVBAGLBSA-N 0 0 178.279 1.779 10 0 ADAERN CC(C)[C@@H]1CCCN(N)CC1 87100901 573778830 /nfs/dbraw/zinc/77/88/30/573778830.db2.gz VSBXJRTUYBMTKW-SECBINFHSA-N 0 0 156.273 1.618 10 0 ADAERN OC[C@H]1Cc2ccc(F)cc2O1 108367594 573778848 /nfs/dbraw/zinc/77/88/48/573778848.db2.gz RPMUNBCWYXOEIM-MRVPVSSYSA-N 0 0 168.167 1.122 10 0 ADAERN CC[C@H](C)CN(N)CC 87100972 573778849 /nfs/dbraw/zinc/77/88/49/573778849.db2.gz QTUYSJUINFGWBZ-ZETCQYMHSA-N 0 0 130.235 1.228 10 0 ADAERN C[C@H](O)c1ccccc1-n1ccnn1 258118843 573778851 /nfs/dbraw/zinc/77/88/51/573778851.db2.gz QMEYWXTWUFMOHT-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN CC(C)n1c(N)nc2cnccc21 84132645 573778855 /nfs/dbraw/zinc/77/88/55/573778855.db2.gz TZCUBKZFUWOBTL-UHFFFAOYSA-N 0 0 176.223 1.594 10 0 ADAERN CC(C)N1CCC[C@@H]1c1noc(N)n1 258128987 573778858 /nfs/dbraw/zinc/77/88/58/573778858.db2.gz UPADSQXNNJKQTH-SSDOTTSWSA-N 0 0 196.254 1.197 10 0 ADAERN Cc1ccc2nc(NC3CC3)nn2c1 87101553 573778870 /nfs/dbraw/zinc/77/88/70/573778870.db2.gz PKCMFCHEJFMCBW-UHFFFAOYSA-N 0 0 188.234 1.612 10 0 ADAERN C[NH+](C)Cc1cccc(C[NH3+])c1F 108369816 573778874 /nfs/dbraw/zinc/77/88/74/573778874.db2.gz GIYLNCWHRFSZRQ-UHFFFAOYSA-N 0 0 182.242 1.346 10 0 ADAERN Cn1cc(C2CCC2)c(CO)n1 257876635 573778909 /nfs/dbraw/zinc/77/89/09/573778909.db2.gz ZJUVWWPMQNPTHX-UHFFFAOYSA-N 0 0 166.224 1.180 10 0 ADAERN CO[C@@H]1CCC[C@@H](OC[C@H](C)O)C1 131193546 573778924 /nfs/dbraw/zinc/77/89/24/573778924.db2.gz QYPDBDAWPNSNPQ-IVZWLZJFSA-N 0 0 188.267 1.341 10 0 ADAERN Cc1cc(CCON)cc(O)c1C 258117434 573778925 /nfs/dbraw/zinc/77/89/25/573778925.db2.gz ZPVSXOGZEZNBEC-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN CSCc1nnc([C@H](C)N)s1 84117349 573778928 /nfs/dbraw/zinc/77/89/28/573778928.db2.gz JXBBOAISPCUCTD-BYPYZUCNSA-N 0 0 189.309 1.421 10 0 ADAERN ONc1ncccc1Cl 79238358 573778932 /nfs/dbraw/zinc/77/89/32/573778932.db2.gz WJTATIYXSZLLMA-UHFFFAOYSA-N 0 0 144.561 1.536 10 0 ADAERN OCc1nc2c(n1C1CC1)CCCC2 76121997 573778940 /nfs/dbraw/zinc/77/89/40/573778940.db2.gz DHUBOBVYUOLOGQ-UHFFFAOYSA-N 0 0 192.262 1.589 10 0 ADAERN CC[C@@H]1CCCN(N)CC1 87100911 573778941 /nfs/dbraw/zinc/77/89/41/573778941.db2.gz OSOVNLZVTDSCGK-MRVPVSSYSA-N 0 0 142.246 1.372 10 0 ADAERN O=Cc1ccc2c(c1)SCO2 108367489 573778942 /nfs/dbraw/zinc/77/89/42/573778942.db2.gz OMTWDBGOSCQIKQ-UHFFFAOYSA-N 0 0 166.201 1.941 10 0 ADAERN Cc1nc(C)n2ccnc2c1Cl 238512252 573778967 /nfs/dbraw/zinc/77/89/67/573778967.db2.gz NKSKVZNPYSYLSM-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN CCC(C)(C)c1nnc(CN)s1 84117052 573778976 /nfs/dbraw/zinc/77/89/76/573778976.db2.gz WRYCVZOCTWYMLL-UHFFFAOYSA-N 0 0 185.296 1.684 10 0 ADAERN CCCc1cn2ccc(N)cc2n1 258117382 573778977 /nfs/dbraw/zinc/77/89/77/573778977.db2.gz YQQXYUWBPRBCHH-UHFFFAOYSA-N 0 0 175.235 1.869 10 0 ADAERN CCCNc1nc2ccc(F)cn2n1 87101483 573778989 /nfs/dbraw/zinc/77/89/89/573778989.db2.gz CENWZYDVQWZHQC-UHFFFAOYSA-N 0 0 194.213 1.690 10 0 ADAERN COC[C@H]1Cc2cc(F)ccc2C[NH2+]1 257875550 573779003 /nfs/dbraw/zinc/77/90/03/573779003.db2.gz UMPBXGDQHNDFEG-LLVKDONJSA-N 0 0 195.237 1.486 10 0 ADAERN CCCCN(N)[C@H](C)CC 87100894 573779014 /nfs/dbraw/zinc/77/90/14/573779014.db2.gz PVEZIYPCYKERCP-MRVPVSSYSA-N 0 0 144.262 1.761 10 0 ADAERN FCOc1ccc2c(c1)CC[NH2+]C2 257875590 573779022 /nfs/dbraw/zinc/77/90/22/573779022.db2.gz AURFAGYLTLCOTH-UHFFFAOYSA-N 0 0 181.210 1.638 10 0 ADAERN CC(C)N(N)CC(F)(F)F 87100737 573779028 /nfs/dbraw/zinc/77/90/28/573779028.db2.gz VSAWEHBQZBGWHO-UHFFFAOYSA-N 0 0 156.151 1.133 10 0 ADAERN NN1CCC[C@@H]2CCCC[C@@H]21 87100556 573779040 /nfs/dbraw/zinc/77/90/40/573779040.db2.gz TYGNBYWXADQYGC-IUCAKERBSA-N 0 0 154.257 1.515 10 0 ADAERN c1cc2c(cc1OC1COC1)C[NH2+]C2 257875579 573779042 /nfs/dbraw/zinc/77/90/42/573779042.db2.gz AUNKCEPGWWXYHU-UHFFFAOYSA-N 0 0 191.230 1.067 10 0 ADAERN CC1(C)COc2c(O)cccc2N1 258422830 573778286 /nfs/dbraw/zinc/77/82/86/573778286.db2.gz FAAQKLSIDNIKNR-UHFFFAOYSA-N 0 0 179.219 1.975 10 0 ADAERN C[C@@H]1CCCCCN1N 87100663 573781002 /nfs/dbraw/zinc/78/10/02/573781002.db2.gz SJDUEVBZURAGGW-SSDOTTSWSA-N 0 0 128.219 1.125 10 0 ADAERN C[C@@H]1CCCC[C@H]1N(C)N 87100827 573781011 /nfs/dbraw/zinc/78/10/11/573781011.db2.gz JVIOKFXJDYLCJB-HTQZYQBOSA-N 0 0 142.246 1.371 10 0 ADAERN Nc1coc(NC2CCC2)n1 257877039 573781013 /nfs/dbraw/zinc/78/10/13/573781013.db2.gz JILCQIPLLKVJJH-UHFFFAOYSA-N 0 0 153.185 1.221 10 0 ADAERN C[C@H]1Oc2c(ccc(F)c2F)[C@@H]1O 84150872 573781026 /nfs/dbraw/zinc/78/10/26/573781026.db2.gz ZTDVMERRSAOXMG-SPGJFGJESA-N 0 0 186.157 1.779 10 0 ADAERN COc1cc(C)cc2c1OC[C@H]2O 84149982 573781890 /nfs/dbraw/zinc/78/18/90/573781890.db2.gz KERBLTNLOLYFOD-MRVPVSSYSA-N 0 0 180.203 1.429 10 0 ADAERN COc1cc(C)cc2c1OC[C@@H]2O 84149981 573781032 /nfs/dbraw/zinc/78/10/32/573781032.db2.gz KERBLTNLOLYFOD-QMMMGPOBSA-N 0 0 180.203 1.429 10 0 ADAERN CCNc1nc2c(C)cccn2n1 87101642 573781050 /nfs/dbraw/zinc/78/10/50/573781050.db2.gz VTMQAPUZLJJBBK-UHFFFAOYSA-N 0 0 176.223 1.470 10 0 ADAERN OCC[C@@H](F)C1CCC1 257876689 573781062 /nfs/dbraw/zinc/78/10/62/573781062.db2.gz ZMJZTAXOMVOEBI-SSDOTTSWSA-N 0 0 132.178 1.507 10 0 ADAERN CCO[C@@H](C)CNC(=O)C(C)(F)F 308436973 573781893 /nfs/dbraw/zinc/78/18/93/573781893.db2.gz XCBMLXSIRBBPOW-LURJTMIESA-N 0 0 195.209 1.183 10 0 ADAERN CC[C@H]1Oc2c(OC)cccc2[C@H]1O 84149999 573781076 /nfs/dbraw/zinc/78/10/76/573781076.db2.gz YOQBZYRFZQLKBH-PSASIEDQSA-N 0 0 194.230 1.900 10 0 ADAERN C[C@@H](O)C[C@@H]1COc2cccc(O)c21 258118240 573781086 /nfs/dbraw/zinc/78/10/86/573781086.db2.gz OZBJBSGPWNLRRF-HTQZYQBOSA-N 0 0 194.230 1.639 10 0 ADAERN COC(=O)[C@H](N)C[C@H](F)C(C)(C)C 257877202 573781088 /nfs/dbraw/zinc/78/10/88/573781088.db2.gz USENUCYIJNZKAZ-RQJHMYQMSA-N 0 0 191.246 1.261 10 0 ADAERN Cc1ccc2c(c1C)OC[C@@H]2O 84150240 573781094 /nfs/dbraw/zinc/78/10/94/573781094.db2.gz OYGKIBCDOJXSBJ-VIFPVBQESA-N 0 0 164.204 1.729 10 0 ADAERN CC[C@@H](C)CN(N)CC 87100970 573781096 /nfs/dbraw/zinc/78/10/96/573781096.db2.gz QTUYSJUINFGWBZ-SSDOTTSWSA-N 0 0 130.235 1.228 10 0 ADAERN C[C@H]1Oc2cc3c(cc2[C@@H]1O)CCC3 84150316 573781098 /nfs/dbraw/zinc/78/10/98/573781098.db2.gz XHEKBADCABVFPQ-JMCQJSRRSA-N 0 0 190.242 1.990 10 0 ADAERN COCCc1ccc2c(c1)[C@@H](O)CO2 84150659 573781105 /nfs/dbraw/zinc/78/11/05/573781105.db2.gz LBJSJXUUUQPVCW-JTQLQIEISA-N 0 0 194.230 1.301 10 0 ADAERN CCn1c(C(C)=O)nc2cnccc21 84148871 573781109 /nfs/dbraw/zinc/78/11/09/573781109.db2.gz UADYIGJLPCGJJA-UHFFFAOYSA-N 0 0 189.218 1.654 10 0 ADAERN C[C@@H]1Oc2c(F)ccc(F)c2[C@H]1O 84150901 573781135 /nfs/dbraw/zinc/78/11/35/573781135.db2.gz AUDJIOHRRLVDEC-NVNXEXLPSA-N 0 0 186.157 1.779 10 0 ADAERN CCOc1ccc2c(c1)[C@@H](O)[C@H](C)O2 84150327 573781152 /nfs/dbraw/zinc/78/11/52/573781152.db2.gz RLOAWJCQIAUEPA-CPCISQLKSA-N 0 0 194.230 1.900 10 0 ADAERN CCCN(N)CC(F)(F)F 87100743 573781158 /nfs/dbraw/zinc/78/11/58/573781158.db2.gz JJCURPUHZZTVRR-UHFFFAOYSA-N 0 0 156.151 1.134 10 0 ADAERN Cc1cc2ccc(CON)cc2cn1 258118715 573781166 /nfs/dbraw/zinc/78/11/66/573781166.db2.gz QKNQJCSFOBQZLG-UHFFFAOYSA-N 0 0 188.230 1.934 10 0 ADAERN Cc1cccn2nc(NC3CC3)nc12 87101549 573781169 /nfs/dbraw/zinc/78/11/69/573781169.db2.gz RATCKPTUODCYOL-UHFFFAOYSA-N 0 0 188.234 1.612 10 0 ADAERN Cc1ccc(F)c2c1[C@@H](O)CCO2 84150943 573781172 /nfs/dbraw/zinc/78/11/72/573781172.db2.gz RYNTYGGIACOXQS-QMMMGPOBSA-N 0 0 182.194 1.950 10 0 ADAERN CC(C)n1ccnc1[C@H]1COCCN1 76136916 573781176 /nfs/dbraw/zinc/78/11/76/573781176.db2.gz AXFNEKIMMYGSNR-SECBINFHSA-N 0 0 195.266 1.125 10 0 ADAERN C[C@H]1Oc2cc(F)cc(F)c2[C@H]1O 84150856 573781184 /nfs/dbraw/zinc/78/11/84/573781184.db2.gz YWFUYFJJVPTWAT-MOFOKWOHSA-N 0 0 186.157 1.779 10 0 ADAERN CCN(N)C1CCCC1 87100504 573781186 /nfs/dbraw/zinc/78/11/86/573781186.db2.gz WNGOOHBMEZUPLL-UHFFFAOYSA-N 0 0 128.219 1.125 10 0 ADAERN CCOc1ccc2c(c1)[C@@H](O)[C@@H](C)O2 84150329 573781196 /nfs/dbraw/zinc/78/11/96/573781196.db2.gz RLOAWJCQIAUEPA-HQJQHLMTSA-N 0 0 194.230 1.900 10 0 ADAERN CN1N=C(C(C)(C)C)C(F)C1=O 108368079 573781208 /nfs/dbraw/zinc/78/12/08/573781208.db2.gz DTBJFNKAWRCTGI-UHFFFAOYSA-N 0 0 172.203 1.562 10 0 ADAERN COC(=O)[C@@H](N)[C@H](F)C1CCCC1 257875530 573781233 /nfs/dbraw/zinc/78/12/33/573781233.db2.gz UMHKJHXWAMJZDK-SFYZADRCSA-N 0 0 189.230 1.015 10 0 ADAERN CC(=O)CCNc1ncc(C)cn1 259186184 573781235 /nfs/dbraw/zinc/78/12/35/573781235.db2.gz HFIZBMOEELMZCM-UHFFFAOYSA-N 0 0 179.223 1.176 10 0 ADAERN Nc1nnn(C2CCC2)c1C1CCC1 257876350 573781251 /nfs/dbraw/zinc/78/12/51/573781251.db2.gz URFKUQZYPQPPDK-UHFFFAOYSA-N 0 0 192.266 1.853 10 0 ADAERN CC(C)N1CCC[C@H]1c1noc(N)n1 258128990 573781255 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84148891 573781305 /nfs/dbraw/zinc/78/13/05/573781305.db2.gz KTQTXKNWJFEBAY-UHFFFAOYSA-N 0 0 191.234 1.505 10 0 ADAERN CCC1(CC)CCN(N)CC1 87100698 573781310 /nfs/dbraw/zinc/78/13/10/573781310.db2.gz BVSYMVGMEQYXNY-UHFFFAOYSA-N 0 0 156.273 1.762 10 0 ADAERN Cc1cc(C)c2c(c1)[C@@H](O)CO2 84150532 573781311 /nfs/dbraw/zinc/78/13/11/573781311.db2.gz UCWSCUMDCZCGLS-VIFPVBQESA-N 0 0 164.204 1.729 10 0 ADAERN CC(C)(CO)c1cccc2c1COC2 258118786 573781312 /nfs/dbraw/zinc/78/13/12/573781312.db2.gz QLJQBKAZAVFKQV-UHFFFAOYSA-N 0 0 192.258 1.987 10 0 ADAERN Cc1nc(N)nc(Cl)c1F 108367330 573781323 /nfs/dbraw/zinc/78/13/23/573781323.db2.gz JNCHETBCCQKKKD-UHFFFAOYSA-N 0 0 161.567 1.160 10 0 ADAERN CNc1nc2c(C)cccn2n1 87101611 573781326 /nfs/dbraw/zinc/78/13/26/573781326.db2.gz YHODXTWWXXFIAQ-UHFFFAOYSA-N 0 0 162.196 1.079 10 0 ADAERN O=Cc1n[nH]cc1-c1cccc(O)c1 257876610 573781337 /nfs/dbraw/zinc/78/13/37/573781337.db2.gz ZJIWUNICDGOSIQ-UHFFFAOYSA-N 0 0 188.186 1.595 10 0 ADAERN CCCn1c(C=O)nc2cnccc21 84148874 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/nfs/dbraw/zinc/78/32/33/573783233.db2.gz RLOAWJCQIAUEPA-RDDDGLTNSA-N 0 0 194.230 1.900 10 0 ADAERN CCn1c(C=O)nc2cnccc21 84148872 573783241 /nfs/dbraw/zinc/78/32/41/573783241.db2.gz CJPRSNIPUZTUAU-UHFFFAOYSA-N 0 0 175.191 1.264 10 0 ADAERN Cc1ccc2c(c1)C[NH2+][C@@H]2C(=O)[O-] 238503328 573783253 /nfs/dbraw/zinc/78/32/53/573783253.db2.gz MYAUVUNOBDXQLI-VIFPVBQESA-N 0 0 177.203 1.224 10 0 ADAERN C[C@@H]1Oc2cc(F)cc(F)c2[C@H]1O 84150857 573783278 /nfs/dbraw/zinc/78/32/78/573783278.db2.gz YWFUYFJJVPTWAT-IGJIYHIXSA-N 0 0 186.157 1.779 10 0 ADAERN C[C@H]1Oc2c(F)ccc(F)c2[C@H]1O 84150900 573783286 /nfs/dbraw/zinc/78/32/86/573783286.db2.gz AUDJIOHRRLVDEC-VHWMUFPASA-N 0 0 186.157 1.779 10 0 ADAERN COc1cc(C)cc2c1OCC[C@@H]2O 84149978 573783293 /nfs/dbraw/zinc/78/32/93/573783293.db2.gz YODHNKDVSAOBAX-VIFPVBQESA-N 0 0 194.230 1.820 10 0 ADAERN COc1cc(C)cc2c1O[C@H](C)[C@@H]2O 84149983 573783301 /nfs/dbraw/zinc/78/33/01/573783301.db2.gz KDBLBSKSPURKJB-XCBNKYQSSA-N 0 0 194.230 1.818 10 0 ADAERN 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/nfs/dbraw/zinc/78/34/06/573783406.db2.gz SLKITLQLZDCQKG-VHWMUFPASA-N 0 0 186.157 1.779 10 0 ADAERN C[NH+](C)Cc1c(F)cccc1C(=O)[O-] 108374489 573783418 /nfs/dbraw/zinc/78/34/18/573783418.db2.gz DNNZTGKDKXXGPB-UHFFFAOYSA-N 0 0 197.209 1.586 10 0 ADAERN CC[C@@H]1Oc2cc(OC)ccc2[C@@H]1O 84150963 573783433 /nfs/dbraw/zinc/78/34/33/573783433.db2.gz UXCLCUWIHZMTFS-ONGXEEELSA-N 0 0 194.230 1.900 10 0 ADAERN Cc1cc2c(N)n[nH]c2nc1C 238502876 573783435 /nfs/dbraw/zinc/78/34/35/573783435.db2.gz YREISYQAQIIBFW-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN c1ccc2c(c1)CCN1CCCN[C@@H]21 238111235 573783436 /nfs/dbraw/zinc/78/34/36/573783436.db2.gz YOUOECUBTYTKBE-GFCCVEGCSA-N 0 0 188.274 1.537 10 0 ADAERN O[C@@H]1CCOc2cc3c(cc21)OCO3 84150405 573783461 /nfs/dbraw/zinc/78/34/61/573783461.db2.gz RMEHVCPAIWOUJT-SSDOTTSWSA-N 0 0 194.186 1.231 10 0 ADAERN Cn1ccnc1-c1noc(Cl)n1 122653007 573783463 /nfs/dbraw/zinc/78/34/63/573783463.db2.gz HVQPAGOSCPBDHV-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN C[C@H]1CC(=O)NN1c1ccccc1O 108372995 573783485 /nfs/dbraw/zinc/78/34/85/573783485.db2.gz OCHDQYGYMIKREU-ZETCQYMHSA-N 0 0 192.218 1.022 10 0 ADAERN CCOc1nc2ccc(OC)nc2[nH]1 87117246 573783498 /nfs/dbraw/zinc/78/34/98/573783498.db2.gz ASLSDFJYXWHXHJ-UHFFFAOYSA-N 0 0 193.206 1.365 10 0 ADAERN COc1ccc2c(c1)O[C@H](C)[C@@H]2O 84150956 573783519 /nfs/dbraw/zinc/78/35/19/573783519.db2.gz XUKQMIVIQLNEFP-LDWIPMOCSA-N 0 0 180.203 1.510 10 0 ADAERN CCOc1ccc2c(c1)[C@@H](O)CO2 84150325 573783538 /nfs/dbraw/zinc/78/35/38/573783538.db2.gz JCIQZBGRDHZJRQ-VIFPVBQESA-N 0 0 180.203 1.511 10 0 ADAERN COCCCC[C@@H](C)[C@H](C)O 131100694 573783540 /nfs/dbraw/zinc/78/35/40/573783540.db2.gz WBBHLDHAAYUPMF-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CCCn1c(CO)nc2cnccc21 84148888 573783552 /nfs/dbraw/zinc/78/35/52/573783552.db2.gz FYPDRJCDPPFVDB-UHFFFAOYSA-N 0 0 191.234 1.334 10 0 ADAERN CCn1c([C@H](C)O)nc2cnccc21 84148884 573783562 /nfs/dbraw/zinc/78/35/62/573783562.db2.gz FVRHUHOPZIQHDL-ZETCQYMHSA-N 0 0 191.234 1.505 10 0 ADAERN CN1CC(Oc2ccccc2C=O)C1 108372525 573783572 /nfs/dbraw/zinc/78/35/72/573783572.db2.gz XZAWMSFTWLDDCQ-UHFFFAOYSA-N 0 0 191.230 1.192 10 0 ADAERN CCO[C@H](C)CNC(=O)C(C)(F)F 308436974 573783576 /nfs/dbraw/zinc/78/35/76/573783576.db2.gz XCBMLXSIRBBPOW-ZCFIWIBFSA-N 0 0 195.209 1.183 10 0 ADAERN C[C@H]1C[C@@H](O)N(C)C(=S)S1 238503440 573783578 /nfs/dbraw/zinc/78/35/78/573783578.db2.gz UGGAMHHTGRCJEV-CRCLSJGQSA-N 0 0 177.294 1.047 10 0 ADAERN CCCOc1ccc2c(c1)[C@@H](O)CO2 84150339 573783605 /nfs/dbraw/zinc/78/36/05/573783605.db2.gz QFQHGHHBSOJJAZ-JTQLQIEISA-N 0 0 194.230 1.901 10 0 ADAERN Nc1cnnc(Cc2ccco2)c1 257877402 573783608 /nfs/dbraw/zinc/78/36/08/573783608.db2.gz DZGUJEUNATZBSB-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN Brc1cnn2c1OCC2 108371878 573783610 /nfs/dbraw/zinc/78/36/10/573783610.db2.gz XOXBTEVVYDCNOQ-UHFFFAOYSA-N 0 0 189.012 1.038 10 0 ADAERN CC(C)c1nc(N)nc(Cl)c1F 108372165 573783617 /nfs/dbraw/zinc/78/36/17/573783617.db2.gz KLEJRSGEDYZCMW-UHFFFAOYSA-N 0 0 189.621 1.975 10 0 ADAERN O=C1CCCN(c2ccccc2)C1=O 108371884 573783632 /nfs/dbraw/zinc/78/36/32/573783632.db2.gz CJCLPILHVBPHTM-UHFFFAOYSA-N 0 0 189.214 1.383 10 0 ADAERN C[C@@]12C=CC[C@@]1(O)CC(=O)CC2 238503312 573783649 /nfs/dbraw/zinc/78/36/49/573783649.db2.gz UKXWNYOBJYYEMN-VHSXEESVSA-N 0 0 166.220 1.437 10 0 ADAERN COC1(C2CCC2)COC1 259187039 573783677 /nfs/dbraw/zinc/78/36/77/573783677.db2.gz WNEAEHQHBBLQHX-UHFFFAOYSA-N 0 0 142.198 1.202 10 0 ADAERN C[C@@]1(c2ccccc2)NCC(=S)N1 238502763 573783680 /nfs/dbraw/zinc/78/36/80/573783680.db2.gz NWECYAAAOGOAMS-SNVBAGLBSA-N 0 0 192.287 1.380 10 0 ADAERN Cc1cc(C(F)F)c(CO)c(F)n1 238504170 573783692 /nfs/dbraw/zinc/78/36/92/573783692.db2.gz KQLBDRXDQCNBMG-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(C)CCOC(=O)NCCCO 258514621 573783696 /nfs/dbraw/zinc/78/36/96/573783696.db2.gz FSHXFSLWBAJITC-UHFFFAOYSA-N 0 0 189.255 1.141 10 0 ADAERN Cc1ccc2c(c1O)CO[C@@H]2CCO 238503605 573783703 /nfs/dbraw/zinc/78/37/03/573783703.db2.gz UBDUHSNVMNXAJX-SNVBAGLBSA-N 0 0 194.230 1.654 10 0 ADAERN CC[C@@H](C)ONC(=O)CCC(F)F 308436966 573783709 /nfs/dbraw/zinc/78/37/09/573783709.db2.gz XBQASYCHYFMKKF-ZCFIWIBFSA-N 0 0 195.209 1.878 10 0 ADAERN CC(=O)[C@]1(C)O[C@@H]2OCCC[C@@H]21 238111138 573783722 /nfs/dbraw/zinc/78/37/22/573783722.db2.gz OCNPMDCSVPAZFE-CIUDSAMLSA-N 0 0 170.208 1.117 10 0 ADAERN CC(C)=C(C)CC[C@H](O)CO 238111303 573783759 /nfs/dbraw/zinc/78/37/59/573783759.db2.gz NGPQZEVXACPEPM-VIFPVBQESA-N 0 0 158.241 1.476 10 0 ADAERN CC/C(=C\C[NH2+][C@@H](C)C1CC1)C(=O)[O-] 308436775 573783771 /nfs/dbraw/zinc/78/37/71/573783771.db2.gz QMUUYEPEGONVQJ-CYXIBPNKSA-N 0 0 197.278 1.796 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@H]1CC=CCC1 308432459 573783778 /nfs/dbraw/zinc/78/37/78/573783778.db2.gz GGIKJQGCVOVEHC-PCYYEKQGSA-N 0 0 195.262 1.716 10 0 ADAERN OCc1n[nH]cc1-c1ccc(F)cc1 257877771 573783794 /nfs/dbraw/zinc/78/37/94/573783794.db2.gz ZRHOKPHLEXBYPD-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN CCCCC[C@@H](O)[C@@H]1COC(=O)O1 215410986 573783800 /nfs/dbraw/zinc/78/38/00/573783800.db2.gz KEQVMRNXMHRDJJ-SFYZADRCSA-N 0 0 188.223 1.463 10 0 ADAERN C[C@@H](O)C(F)(F)c1ccccc1O 257877235 573783812 /nfs/dbraw/zinc/78/38/12/573783812.db2.gz UTJAPHKVIKJSDJ-ZCFIWIBFSA-N 0 0 188.173 1.865 10 0 ADAERN Cc1ccccc2nc(N)nc1-2 238503431 573783817 /nfs/dbraw/zinc/78/38/17/573783817.db2.gz PPNSBKWDTURACZ-UHFFFAOYSA-N 0 0 159.192 1.472 10 0 ADAERN COc1nnc(-c2cccc(N)c2)o1 87116935 573783832 /nfs/dbraw/zinc/78/38/32/573783832.db2.gz VOUJHCXQZFDNBQ-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN C[C@@]12C=CC[C@]1(O)CC(=O)CC2 238502904 573783844 /nfs/dbraw/zinc/78/38/44/573783844.db2.gz UKXWNYOBJYYEMN-UWVGGRQHSA-N 0 0 166.220 1.437 10 0 ADAERN CCn1c([C@@H](C)O)nc2cnccc21 84148883 573782997 /nfs/dbraw/zinc/78/29/97/573782997.db2.gz FVRHUHOPZIQHDL-SSDOTTSWSA-N 0 0 191.234 1.505 10 0 ADAERN CC1=NN(C(C)C)C(=O)[C@H]1C(C)C 108373736 573782999 /nfs/dbraw/zinc/78/29/99/573782999.db2.gz BLIRTKDHZVMMRQ-VIFPVBQESA-N 0 0 182.267 1.885 10 0 ADAERN C1=CN2CCCN[C@H]2c2ccccc21 238111189 573783012 /nfs/dbraw/zinc/78/30/12/573783012.db2.gz BXSOAEABPWYYPK-GFCCVEGCSA-N 0 0 186.258 1.965 10 0 ADAERN CC(C)(C)[Si](C)(C)[C@H]([NH3+])C(=O)[O-] 238114246 573787000 /nfs/dbraw/zinc/78/70/00/573787000.db2.gz YHYCLIBYCWFBCU-LURJTMIESA-N 0 0 189.331 1.446 10 0 ADAERN C[C@@]1(c2ccccc2O)CC[C@@H](O)O1 238504084 573786286 /nfs/dbraw/zinc/78/62/86/573786286.db2.gz AUUWLTSKDMIDBT-QWRGUYRKSA-N 0 0 194.230 1.736 10 0 ADAERN CC(C)CC[C@@H](C)N1CN[C@H](C)C1=O 127204472 573787008 /nfs/dbraw/zinc/78/70/08/573787008.db2.gz JFLFLPVYAAGRLD-NXEZZACHSA-N 0 0 198.310 1.589 10 0 ADAERN COc1nc(-c2ccc(O)cc2)no1 87117060 573787017 /nfs/dbraw/zinc/78/70/17/573787017.db2.gz NSSSYDRAJTVPTJ-UHFFFAOYSA-N 0 0 192.174 1.451 10 0 ADAERN C=Cc1ccc(OC(C)=O)cc1O 238114819 573787026 /nfs/dbraw/zinc/78/70/26/573787026.db2.gz JKRWVYPOWLQUSB-UHFFFAOYSA-N 0 0 178.187 1.961 10 0 ADAERN CC(=O)Oc1cc(C)cc(C)c1N 238113283 573787040 /nfs/dbraw/zinc/78/70/40/573787040.db2.gz NJRDISFNUIMWBA-UHFFFAOYSA-N 0 0 179.219 1.811 10 0 ADAERN Cc1ncccc1[C@@]1(O)C[C@@H]1C 87123631 573787042 /nfs/dbraw/zinc/78/70/42/573787042.db2.gz PNXSWLUHNWEUBT-OIBJUYFYSA-N 0 0 163.220 1.617 10 0 ADAERN Cc1c(N)cc(C(F)F)[nH]c1=O 238517130 573787051 /nfs/dbraw/zinc/78/70/51/573787051.db2.gz JBZJSXRMTIFLPR-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@H]1CCC=C[C@@H]1C 238348644 573786292 /nfs/dbraw/zinc/78/62/92/573786292.db2.gz IIUHXZFOYSZRDO-LPEHRKFASA-N 0 0 197.278 1.651 10 0 ADAERN Cn1c(C2CCCC2)ccc(N)c1=O 257877272 573786315 /nfs/dbraw/zinc/78/63/15/573786315.db2.gz UVVNROGZFNCMFD-UHFFFAOYSA-N 0 0 192.262 1.625 10 0 ADAERN CN1C(=O)OC[C@H]1c1cccc(N)c1 108372964 573786319 /nfs/dbraw/zinc/78/63/19/573786319.db2.gz RFSMBEKZJZHCCN-VIFPVBQESA-N 0 0 192.218 1.392 10 0 ADAERN CC[C@@H](CC1CC1)N[C@H]1CCOC1=O 308739137 573786322 /nfs/dbraw/zinc/78/63/22/573786322.db2.gz NMAYSYCOKXLCMM-UWVGGRQHSA-N 0 0 197.278 1.470 10 0 ADAERN COc1nc(-c2ccccc2N)no1 87117322 573786323 /nfs/dbraw/zinc/78/63/23/573786323.db2.gz WSOGDMHKMNKVMQ-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN COCCCC[C@H](C)[C@@H](C)O 131100056 573786353 /nfs/dbraw/zinc/78/63/53/573786353.db2.gz WBBHLDHAAYUPMF-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CCCc1nnc2ccc(O)cn12 257877537 573786364 /nfs/dbraw/zinc/78/63/64/573786364.db2.gz BVMOKOMOAMDCGN-UHFFFAOYSA-N 0 0 177.207 1.387 10 0 ADAERN CCCCNc1cccnc1C(N)=O 308742191 573786368 /nfs/dbraw/zinc/78/63/68/573786368.db2.gz PKTMWVHMWGWGJV-UHFFFAOYSA-N 0 0 193.250 1.393 10 0 ADAERN COc1ccc(N[C@H](C)[C@@H](C)O)cn1 87125982 573786372 /nfs/dbraw/zinc/78/63/72/573786372.db2.gz MQEAWSXMFVDCAG-HTQZYQBOSA-N 0 0 196.250 1.271 10 0 ADAERN Cc1cccc(C(C)(C)O)c1O 238502621 573786377 /nfs/dbraw/zinc/78/63/77/573786377.db2.gz UNPUVKALJOGSTP-UHFFFAOYSA-N 0 0 166.220 1.928 10 0 ADAERN COc1ccc(N[C@@H](C)[C@@H](C)O)cn1 87125981 573786379 /nfs/dbraw/zinc/78/63/79/573786379.db2.gz MQEAWSXMFVDCAG-JGVFFNPUSA-N 0 0 196.250 1.271 10 0 ADAERN Cc1c[nH]nc1CNCC1(F)CCC1 308737289 573786383 /nfs/dbraw/zinc/78/63/83/573786383.db2.gz MGPCXIAFNNQLHQ-UHFFFAOYSA-N 0 0 197.257 1.700 10 0 ADAERN Cc1cc(C(F)F)c(CO)c(=O)[nH]1 238504266 573786384 /nfs/dbraw/zinc/78/63/84/573786384.db2.gz SNHGSHADAHFYCM-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN C[C@]12CCC(=O)C[C@H]1CC[C@@H]2C(N)=O 238503180 573786391 /nfs/dbraw/zinc/78/63/91/573786391.db2.gz HRTDJQABKMGCKG-ZOFUNIGCSA-N 0 0 195.262 1.257 10 0 ADAERN Cc1cccc([C@@H](C[NH3+])C(=O)[O-])c1F 108374474 573786409 /nfs/dbraw/zinc/78/64/09/573786409.db2.gz JTXHFGHFNJDBPG-MRVPVSSYSA-N 0 0 197.209 1.261 10 0 ADAERN C[C@@]1(c2cccc(N)c2)CNC(=O)O1 257877256 573786415 /nfs/dbraw/zinc/78/64/15/573786415.db2.gz UVCUAWSDWQICBM-JTQLQIEISA-N 0 0 192.218 1.224 10 0 ADAERN COC[S@@](=O)c1cccc(F)c1 87114709 573786422 /nfs/dbraw/zinc/78/64/22/573786422.db2.gz LDYUGVHMBWJRPG-LBPRGKRZSA-N 0 0 188.223 1.537 10 0 ADAERN Cc1cc(F)cc(C(=O)[C@@H](C)N)c1O 108374468 573786440 /nfs/dbraw/zinc/78/64/40/573786440.db2.gz BZIHSEWKHJQXPV-ZCFIWIBFSA-N 0 0 197.209 1.370 10 0 ADAERN COc1nc2c(C)cccc2[nH]1 87117218 573786463 /nfs/dbraw/zinc/78/64/63/573786463.db2.gz HCYVMEFTKBGOIX-UHFFFAOYSA-N 0 0 162.192 1.880 10 0 ADAERN Cc1ncccc1-c1nnc(N)o1 87121579 573786492 /nfs/dbraw/zinc/78/64/92/573786492.db2.gz XPXQZYLJXIIORA-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN OCCc1cnn([C@@H]2CCCS2)c1 257877881 573786501 /nfs/dbraw/zinc/78/65/01/573786501.db2.gz RMFAZGIAQYQWLX-VIFPVBQESA-N 0 0 198.291 1.444 10 0 ADAERN COc1nc2nc(N(C)C)ccc2[nH]1 87117275 573786503 /nfs/dbraw/zinc/78/65/03/573786503.db2.gz QIXHWLCHEGOLKD-UHFFFAOYSA-N 0 0 192.222 1.033 10 0 ADAERN CCCN1C(=O)CN[C@@]1(C)CC(C)C 308742000 573786519 /nfs/dbraw/zinc/78/65/19/573786519.db2.gz PHJAZDNRPNPRKZ-LLVKDONJSA-N 0 0 198.310 1.591 10 0 ADAERN CC[C@H](F)C[N@@H+]1CC[C@@H](C)[C@H]1CO 308432346 573786555 /nfs/dbraw/zinc/78/65/55/573786555.db2.gz UIYTYBRVSAUPSG-KXUCPTDWSA-N 0 0 189.274 1.437 10 0 ADAERN CN1C(=O)OC[C@@H]1c1ccccc1N 108372974 573786576 /nfs/dbraw/zinc/78/65/76/573786576.db2.gz DVCNRWGADKIHTF-SECBINFHSA-N 0 0 192.218 1.392 10 0 ADAERN [NH3+]Cc1nc(C2CCC2)c(F)c(=O)[n-]1 108374493 573786607 /nfs/dbraw/zinc/78/66/07/573786607.db2.gz YEGDYMRBKQUZSX-UHFFFAOYSA-N 0 0 197.213 1.048 10 0 ADAERN COc1cccc2cnc(C(C)=O)n12 257877270 573786619 /nfs/dbraw/zinc/78/66/19/573786619.db2.gz UVUNOZQUNSADBY-UHFFFAOYSA-N 0 0 190.202 1.546 10 0 ADAERN COc1nc2c(C)ccnc2[nH]1 87117210 573786645 /nfs/dbraw/zinc/78/66/45/573786645.db2.gz WRBUYCAKMLYDSC-UHFFFAOYSA-N 0 0 163.180 1.275 10 0 ADAERN Cc1ncccc1C1(O)CC1 87123622 573786658 /nfs/dbraw/zinc/78/66/58/573786658.db2.gz IQZUMWQNZWWSNI-UHFFFAOYSA-N 0 0 149.193 1.371 10 0 ADAERN C[C@]1(c2cccc(N)c2)CNC(=O)O1 257877258 573786678 /nfs/dbraw/zinc/78/66/78/573786678.db2.gz UVCUAWSDWQICBM-SNVBAGLBSA-N 0 0 192.218 1.224 10 0 ADAERN Cc1ncccc1-c1[nH]nc(N)c1C 87123094 573786683 /nfs/dbraw/zinc/78/66/83/573786683.db2.gz SDRCWYZUBNWMSB-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CCCN1N=C(C)[C@H](C(C)C)C1=O 108373748 573786684 /nfs/dbraw/zinc/78/66/84/573786684.db2.gz GZLVDECTSQQWMV-VIFPVBQESA-N 0 0 182.267 1.887 10 0 ADAERN C[C@@H](CCCc1cccs1)NN 127203021 573786691 /nfs/dbraw/zinc/78/66/91/573786691.db2.gz KCPZNAZHNRRPBW-QMMMGPOBSA-N 0 0 184.308 1.923 10 0 ADAERN COC[C@H]1CCOc2ccc(N)cc21 257877291 573786715 /nfs/dbraw/zinc/78/67/15/573786715.db2.gz UWNBPEZCAHGDIU-MRVPVSSYSA-N 0 0 193.246 1.781 10 0 ADAERN CCC[C@H](O)CNc1ncns1 127178173 573786721 /nfs/dbraw/zinc/78/67/21/573786721.db2.gz KDPUIMMYGPDFFT-LURJTMIESA-N 0 0 187.268 1.111 10 0 ADAERN CC1=NN(C(C)C)C(=O)[C@@H]1C(C)C 108373732 573786730 /nfs/dbraw/zinc/78/67/30/573786730.db2.gz BLIRTKDHZVMMRQ-SECBINFHSA-N 0 0 182.267 1.885 10 0 ADAERN CCC[C@H]([NH2+]C)C(C)(C)CC(=O)[O-] 259568418 573786755 /nfs/dbraw/zinc/78/67/55/573786755.db2.gz WODUSCGJJAADPT-QMMMGPOBSA-N 0 0 187.283 1.875 10 0 ADAERN COc1nc([C@@H](N)C(C)(C)C)no1 87117404 573786764 /nfs/dbraw/zinc/78/67/64/573786764.db2.gz KZMHXQPEYRYIAK-RXMQYKEDSA-N 0 0 185.227 1.124 10 0 ADAERN [O-]c1cnn(CC[NH+]2CCCCC2)c1 257877329 573786770 /nfs/dbraw/zinc/78/67/70/573786770.db2.gz DVTPDTVUIGYXEU-UHFFFAOYSA-N 0 0 195.266 1.075 10 0 ADAERN Cc1ncccc1[C@]1(O)C[C@@H]1C 87123627 573786777 /nfs/dbraw/zinc/78/67/77/573786777.db2.gz PNXSWLUHNWEUBT-XVKPBYJWSA-N 0 0 163.220 1.617 10 0 ADAERN CCOc1nc2cc(OC)ccc2[nH]1 87117240 573786782 /nfs/dbraw/zinc/78/67/82/573786782.db2.gz PALYPXGZHGZRPX-UHFFFAOYSA-N 0 0 192.218 1.970 10 0 ADAERN C[C@H](O)C(F)(F)c1ccccc1O 257877234 573786797 /nfs/dbraw/zinc/78/67/97/573786797.db2.gz UTJAPHKVIKJSDJ-LURJTMIESA-N 0 0 188.173 1.865 10 0 ADAERN Cc1ncccc1[C@@]1(O)C[C@H]1C 87123637 573786808 /nfs/dbraw/zinc/78/68/08/573786808.db2.gz PNXSWLUHNWEUBT-GMSGAONNSA-N 0 0 163.220 1.617 10 0 ADAERN CC(=O)C[C@@H](O)[C@H]1CC=CCC1 238114217 573786812 /nfs/dbraw/zinc/78/68/12/573786812.db2.gz MBYFSDUBFQWNGS-VHSXEESVSA-N 0 0 168.236 1.683 10 0 ADAERN CNOCCOc1ccc(F)cc1 257877377 573786820 /nfs/dbraw/zinc/78/68/20/573786820.db2.gz DYEDSHQGJBFYDY-UHFFFAOYSA-N 0 0 185.198 1.356 10 0 ADAERN CCOc1n[nH]c(C2CC2)n1 87117098 573786822 /nfs/dbraw/zinc/78/68/22/573786822.db2.gz XPVQVLGDJRRBNY-UHFFFAOYSA-N 0 0 153.185 1.081 10 0 ADAERN COc1nnc2cc(Cl)nc(C)n12 87117143 573786841 /nfs/dbraw/zinc/78/68/41/573786841.db2.gz PXTDOFBXKWKRMW-UHFFFAOYSA-N 0 0 198.613 1.095 10 0 ADAERN COc1nc2cc(F)c(F)cc2[nH]1 87117202 573786846 /nfs/dbraw/zinc/78/68/46/573786846.db2.gz FEIXCRFXNBSOOV-UHFFFAOYSA-N 0 0 184.145 1.850 10 0 ADAERN CC(=O)Oc1cc(N=O)c(O)cc1O 238113934 573786849 /nfs/dbraw/zinc/78/68/49/573786849.db2.gz UWYVVYODAHSDPZ-UHFFFAOYSA-N 0 0 197.146 1.421 10 0 ADAERN Cc1cc(F)cc(C(=O)[C@H](C)N)c1O 108374471 573786855 /nfs/dbraw/zinc/78/68/55/573786855.db2.gz BZIHSEWKHJQXPV-LURJTMIESA-N 0 0 197.209 1.370 10 0 ADAERN CC(=O)Oc1cc(C)cc(C)c1O 238113319 573786862 /nfs/dbraw/zinc/78/68/62/573786862.db2.gz CCZDHEKYXMRXLC-UHFFFAOYSA-N 0 0 180.203 1.934 10 0 ADAERN CCCc1nc(OCC)n[nH]1 87117093 573786873 /nfs/dbraw/zinc/78/68/73/573786873.db2.gz WMAAWTSYKJSSPO-UHFFFAOYSA-N 0 0 155.201 1.156 10 0 ADAERN FC1(F)CNCC[C@H]1c1cccnc1 258514529 573786888 /nfs/dbraw/zinc/78/68/88/573786888.db2.gz FRBWSJYZKIWVJA-VIFPVBQESA-N 0 0 198.216 1.794 10 0 ADAERN CC(=O)C[C@@H](O)[C@@H]1CCC=CO1 238114265 573786902 /nfs/dbraw/zinc/78/69/02/573786902.db2.gz LIORBEJDSNYXHS-BDAKNGLRSA-N 0 0 170.208 1.019 10 0 ADAERN Cc1ncccc1C1N=NC(=O)O1 87123771 573786914 /nfs/dbraw/zinc/78/69/14/573786914.db2.gz UCWPCFOENJHGPB-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN Cn1c(=O)oc2cc(C=O)cc(F)c21 108374010 573786934 /nfs/dbraw/zinc/78/69/34/573786934.db2.gz DTOLIVXXEBMMBE-UHFFFAOYSA-N 0 0 195.149 1.083 10 0 ADAERN C[C@]1(F)CCc2[nH]nc(C=O)c21 258426019 573786937 /nfs/dbraw/zinc/78/69/37/573786937.db2.gz CIZFZTAWEALCDB-QMMMGPOBSA-N 0 0 168.171 1.353 10 0 ADAERN Cc1cc2nc(Cl)cc(N)n2n1 238517843 573786974 /nfs/dbraw/zinc/78/69/74/573786974.db2.gz LUOXEMSTZLCHBA-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN CC(C)(CO)[C@@H]1CC[C@@H](O)C1 238120301 573786981 /nfs/dbraw/zinc/78/69/81/573786981.db2.gz CEGDSWRJDBUUMJ-HTQZYQBOSA-N 0 0 158.241 1.166 10 0 ADAERN COc1nc2cc(F)ccc2[nH]1 87117229 573786992 /nfs/dbraw/zinc/78/69/92/573786992.db2.gz NWBFWHZTCBHAHW-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN CNc1nccc(N2CC[C@H](F)C2)n1 689822672 573792101 /nfs/dbraw/zinc/79/21/01/573792101.db2.gz ABSAAKSTHPXWSG-ZETCQYMHSA-N 0 0 196.229 1.067 10 0 ADAERN CN[C@H](N)c1cc(C)ccc1OC 259185262 573792108 /nfs/dbraw/zinc/79/21/08/573792108.db2.gz FKWKVKGGAGWOMA-JTQLQIEISA-N 0 0 180.251 1.180 10 0 ADAERN Cc1cc([C@H]2CCC(=O)C2)c[nH]c1=O 238521428 573792983 /nfs/dbraw/zinc/79/29/83/573792983.db2.gz XRQMBXOMKIMILK-QMMMGPOBSA-N 0 0 191.230 1.932 10 0 ADAERN CNCC(=O)O[C@@H]1CCC[C@H](C)C1 40953465 573792132 /nfs/dbraw/zinc/79/21/32/573792132.db2.gz KWHLSLUAZLDVID-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN N[C@@H](c1cccnc1)C(F)F 84192638 573792144 /nfs/dbraw/zinc/79/21/44/573792144.db2.gz PQHPLSZRHANSOG-LURJTMIESA-N 0 0 158.151 1.347 10 0 ADAERN C[C@H]1Nc2ccc(O)cc2SC1=O 259187811 573792147 /nfs/dbraw/zinc/79/21/47/573792147.db2.gz JYOHPTFJZGUOGF-RXMQYKEDSA-N 0 0 195.243 1.825 10 0 ADAERN CC(=O)[C@]1(F)CCCC1=O 238103548 573792151 /nfs/dbraw/zinc/79/21/51/573792151.db2.gz OTPJAWWVJFLLRM-SSDOTTSWSA-N 0 0 144.145 1.037 10 0 ADAERN CCCCCOC(=O)[C@@H](N)CCC 40954334 573792155 /nfs/dbraw/zinc/79/21/55/573792155.db2.gz OMHHAWHMQFPCSX-VIFPVBQESA-N 0 0 187.283 1.847 10 0 ADAERN CO[C@H](C)COC(=O)CCC(F)F 308434016 573792156 /nfs/dbraw/zinc/79/21/56/573792156.db2.gz VCGOQVULWIUPSS-ZCFIWIBFSA-N 0 0 196.193 1.610 10 0 ADAERN C[C@@H](O)[C@H](C)CC(=O)C1CC1 87131778 573792159 /nfs/dbraw/zinc/79/21/59/573792159.db2.gz NKPAJSXWFLQKOD-RNFRBKRXSA-N 0 0 156.225 1.373 10 0 ADAERN CCC/C=C/[C@@H]1O[C@H](C)O[C@H]1CO 393563139 573792205 /nfs/dbraw/zinc/79/22/05/573792205.db2.gz JFESLHKKWDNREB-JKNZDJNPSA-N 0 0 186.251 1.465 10 0 ADAERN CCCOc1cccc([C@H](C)NN)c1 127213926 573792215 /nfs/dbraw/zinc/79/22/15/573792215.db2.gz FOECCUOYGXCSAV-VIFPVBQESA-N 0 0 194.278 2.000 10 0 ADAERN CO[C@@H](C)COC(=O)CCC(F)F 308434015 573792216 /nfs/dbraw/zinc/79/22/16/573792216.db2.gz VCGOQVULWIUPSS-LURJTMIESA-N 0 0 196.193 1.610 10 0 ADAERN COCCCC[C@H]1CSC[C@@H]1O 131108816 573792229 /nfs/dbraw/zinc/79/22/29/573792229.db2.gz CMZGEZMBQYMSST-IUCAKERBSA-N 0 0 190.308 1.527 10 0 ADAERN Cc1ccc([C@]2(CO)C[C@H]2C)o1 258945421 573792242 /nfs/dbraw/zinc/79/22/42/573792242.db2.gz DCDCONVRJPWVKJ-XCBNKYQSSA-N 0 0 166.220 1.858 10 0 ADAERN C[N@@H+](C/C=C/c1ccco1)CCO 308434236 573792244 /nfs/dbraw/zinc/79/22/44/573792244.db2.gz VFQZCNBZTOYPDN-DUXPYHPUSA-N 0 0 181.235 1.217 10 0 ADAERN CC(=O)N[C@@H]1CCn2cccc21 238119693 573792258 /nfs/dbraw/zinc/79/22/58/573792258.db2.gz CXQIDEMSFABCJA-MRVPVSSYSA-N 0 0 164.208 1.069 10 0 ADAERN CSc1nnc(C(C)(C)O)o1 259187549 573792263 /nfs/dbraw/zinc/79/22/63/573792263.db2.gz MAETTWUCHYSDSX-UHFFFAOYSA-N 0 0 174.225 1.019 10 0 ADAERN Cc1ccc(C)n1N[C@@H](C)[C@@H](C)O 87130703 573792264 /nfs/dbraw/zinc/79/22/64/573792264.db2.gz YKFWSOODJFQMBX-VHSXEESVSA-N 0 0 182.267 1.418 10 0 ADAERN C[C@H](Nc1ccsc1)[C@@H](C)O 87130653 573792283 /nfs/dbraw/zinc/79/22/83/573792283.db2.gz CHRBSZHULLQNBB-NKWVEPMBSA-N 0 0 171.265 1.929 10 0 ADAERN OCCc1cccc2c1COCC2 84283685 573792288 /nfs/dbraw/zinc/79/22/88/573792288.db2.gz YZPAYLQROLQYBF-UHFFFAOYSA-N 0 0 178.231 1.294 10 0 ADAERN CC(=O)CC[C@@H]1CCCO[C@H]1O 238102524 573792290 /nfs/dbraw/zinc/79/22/90/573792290.db2.gz IBSRYYKHHVBHPT-DTWKUNHWSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1ccncc1N 87131238 573792322 /nfs/dbraw/zinc/79/23/22/573792322.db2.gz LKJWMJRVKYNSGW-NKWVEPMBSA-N 0 0 198.291 1.525 10 0 ADAERN CCCCCCOC(=O)CNC 40952869 573792323 /nfs/dbraw/zinc/79/23/23/573792323.db2.gz WMQKPCUCYFPMBD-UHFFFAOYSA-N 0 0 173.256 1.329 10 0 ADAERN Cc1ccc([C@]2(CO)C[C@@H]2C)o1 258945424 573792378 /nfs/dbraw/zinc/79/23/78/573792378.db2.gz DCDCONVRJPWVKJ-XVKPBYJWSA-N 0 0 166.220 1.858 10 0 ADAERN CC(C)C1(O)CCC(CO)CC1 238103821 573792399 /nfs/dbraw/zinc/79/23/99/573792399.db2.gz WYTMMOKWJWHGKX-UHFFFAOYSA-N 0 0 172.268 1.556 10 0 ADAERN CCCCCOC(=O)[C@H]1CCCCN1 40954262 573792403 /nfs/dbraw/zinc/79/24/03/573792403.db2.gz SDQOVBGBMCUAML-SNVBAGLBSA-N 0 0 199.294 1.862 10 0 ADAERN CC(=O)CC[C@@]1(C)CO1 238104078 573792404 /nfs/dbraw/zinc/79/24/04/573792404.db2.gz GJTIGQZURAGZCN-ZETCQYMHSA-N 0 0 128.171 1.145 10 0 ADAERN CC(C)C(=O)C[C@@H](C)[C@@H](C)O 87131717 573792413 /nfs/dbraw/zinc/79/24/13/573792413.db2.gz VMSMDVBUPCLIQM-HTQZYQBOSA-N 0 0 158.241 1.619 10 0 ADAERN CNCC(=O)O[C@H]1CCC[C@H](C)C1 40953461 573792415 /nfs/dbraw/zinc/79/24/15/573792415.db2.gz KWHLSLUAZLDVID-IUCAKERBSA-N 0 0 185.267 1.328 10 0 ADAERN CC[NH2+][C@H](C)c1cnc(CO)s1 127208369 573792430 /nfs/dbraw/zinc/79/24/30/573792430.db2.gz GLJCOYDUEINPBA-ZCFIWIBFSA-N 0 0 186.280 1.306 10 0 ADAERN CC(C)C(=O)C[C@H](C)[C@H](C)O 87131720 573792434 /nfs/dbraw/zinc/79/24/34/573792434.db2.gz VMSMDVBUPCLIQM-YUMQZZPRSA-N 0 0 158.241 1.619 10 0 ADAERN C[C@H](O)[C@@H](F)c1ccccc1O 258514787 573792440 /nfs/dbraw/zinc/79/24/40/573792440.db2.gz LRTPMIWTKMQBKL-IMTBSYHQSA-N 0 0 170.183 1.784 10 0 ADAERN C[C@H](O)[C@H](C)CC(=O)C1CC1 87131780 573792460 /nfs/dbraw/zinc/79/24/60/573792460.db2.gz NKPAJSXWFLQKOD-RQJHMYQMSA-N 0 0 156.225 1.373 10 0 ADAERN CCC/C=C\[C@@H]1O[C@H](C)O[C@H]1CO 393563140 573792470 /nfs/dbraw/zinc/79/24/70/573792470.db2.gz JFESLHKKWDNREB-ZIZOKTCZSA-N 0 0 186.251 1.465 10 0 ADAERN CCCCCOC(=O)[C@@H](C)N 40954230 573792490 /nfs/dbraw/zinc/79/24/90/573792490.db2.gz LVQOUOQYHMUCIY-SSDOTTSWSA-N 0 0 159.229 1.067 10 0 ADAERN C=CO[C@@H]1CCCC[C@H]1NC=O 238103705 573792499 /nfs/dbraw/zinc/79/24/99/573792499.db2.gz GGHKTUZXLAOUMD-RKDXNWHRSA-N 0 0 169.224 1.204 10 0 ADAERN Cn1cc(N)c(-c2ccc(O)cc2)c1 258130627 573792500 /nfs/dbraw/zinc/79/25/00/573792500.db2.gz NQQRDOGDXFFMQK-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)C2)cc1O 238521330 573792504 /nfs/dbraw/zinc/79/25/04/573792504.db2.gz JMOVRIGEISTFHA-VIFPVBQESA-N 0 0 191.230 1.304 10 0 ADAERN CC(=O)C[C@@H]1C[C@](C)(O)C1(C)C 238120188 573792509 /nfs/dbraw/zinc/79/25/09/573792509.db2.gz ACWRWPUTIUGXHR-SCZZXKLOSA-N 0 0 170.252 1.763 10 0 ADAERN CCCc1nnc2n1CCCC2 223425511 573792512 /nfs/dbraw/zinc/79/25/12/573792512.db2.gz GDZYFSAMBOGWLL-UHFFFAOYSA-N 0 0 165.240 1.567 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]1C[NH2+]CC1CCCC1 258949226 573792520 /nfs/dbraw/zinc/79/25/20/573792520.db2.gz UNQPUYRSDAKUJR-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@H](O)[C@H](F)c1ccccc1O 258514809 573792537 /nfs/dbraw/zinc/79/25/37/573792537.db2.gz LRTPMIWTKMQBKL-RCOVLWMOSA-N 0 0 170.183 1.784 10 0 ADAERN CC(=O)Nc1ncn(C)c1Cl 238104037 573792540 /nfs/dbraw/zinc/79/25/40/573792540.db2.gz JEOOCWDZHBOXHR-UHFFFAOYSA-N 0 0 173.603 1.032 10 0 ADAERN COCCCCC[C@@H](O)COC 131105485 573792545 /nfs/dbraw/zinc/79/25/45/573792545.db2.gz KPDNFUWJUDSJQY-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN CC(=O)[C@@]1(O)CC=CCC1 238104183 573792576 /nfs/dbraw/zinc/79/25/76/573792576.db2.gz JUAMLRHXBNIFNZ-MRVPVSSYSA-N 0 0 140.182 1.047 10 0 ADAERN Cc1ccnc2c1C=CC2 100305672 573792580 /nfs/dbraw/zinc/79/25/80/573792580.db2.gz BBXGHAKTWHZIBP-UHFFFAOYSA-N 0 0 131.178 1.959 10 0 ADAERN Cc1cc(C(F)F)[nH]c(=O)c1CO 238520375 573792582 /nfs/dbraw/zinc/79/25/82/573792582.db2.gz LDOPLDYMJNVBNL-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN COC[C@H](C)C[C@@H](CC(C)C)NN 127298138 573792594 /nfs/dbraw/zinc/79/25/94/573792594.db2.gz XJBDDVXRBKQBAM-NXEZZACHSA-N 0 0 188.315 1.537 10 0 ADAERN Cc1c(N)cccc1C(O)=S 238521422 573792614 /nfs/dbraw/zinc/79/26/14/573792614.db2.gz VWFLPKYUWTZCHY-UHFFFAOYSA-N 0 0 167.233 1.811 10 0 ADAERN CC(=O)[C@]1(F)CCCC[C@@H]1O 238103575 573792621 /nfs/dbraw/zinc/79/26/21/573792621.db2.gz IEHBDPFVQQBIAV-JGVFFNPUSA-N 0 0 160.188 1.219 10 0 ADAERN CC(=O)c1cc([C@@H]2CCSC2)n[nH]1 259187730 573792633 /nfs/dbraw/zinc/79/26/33/573792633.db2.gz JYFJMKIEFVGNCZ-SSDOTTSWSA-N 0 0 196.275 1.833 10 0 ADAERN CNC(=O)Nc1cc(N)ccc1Cl 125115001 573792662 /nfs/dbraw/zinc/79/26/62/573792662.db2.gz WSRWCQKTODVXHF-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]1CCC[C@@H]([NH3+])C1 238103053 573792667 /nfs/dbraw/zinc/79/26/67/573792667.db2.gz TYGDIXPEPJRULI-HTQZYQBOSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1ccc([C@@]2(CO)C[C@H]2C)o1 258945416 573792678 /nfs/dbraw/zinc/79/26/78/573792678.db2.gz DCDCONVRJPWVKJ-GMSGAONNSA-N 0 0 166.220 1.858 10 0 ADAERN C[C@]12CCNC(=O)C=C1CCCC2=O 238520333 573792686 /nfs/dbraw/zinc/79/26/86/573792686.db2.gz AINURWUOIWAVBP-NSHDSACASA-N 0 0 193.246 1.192 10 0 ADAERN C[Si](C)(C)C1=C[C@@H](O)CC1 238521089 573792718 /nfs/dbraw/zinc/79/27/18/573792718.db2.gz NGQMRAOMMBBJTP-ZETCQYMHSA-N 0 0 156.301 1.945 10 0 ADAERN CC(C)(C)OC(=O)c1cncc(N)n1 238103092 573792724 /nfs/dbraw/zinc/79/27/24/573792724.db2.gz JGMHJGKBOWWVHS-UHFFFAOYSA-N 0 0 195.222 1.014 10 0 ADAERN CCC[C@H](O)CNc1cc(F)ccn1 308727886 573792730 /nfs/dbraw/zinc/79/27/30/573792730.db2.gz HOHGEFOWWJNFSP-VIFPVBQESA-N 0 0 198.241 1.794 10 0 ADAERN C[C@H](Oc1cccnc1)[C@@H](C)O 87139281 573792738 /nfs/dbraw/zinc/79/27/38/573792738.db2.gz UVYZBGNUERYYIX-SFYZADRCSA-N 0 0 167.208 1.230 10 0 ADAERN O=c1sccn1CCCC(F)F 688741836 573792755 /nfs/dbraw/zinc/79/27/55/573792755.db2.gz XFPCGTOUMQHQGQ-UHFFFAOYSA-N 0 0 193.218 1.955 10 0 ADAERN CCCOc1cccc([C@@H](C)NN)c1 127213678 573792777 /nfs/dbraw/zinc/79/27/77/573792777.db2.gz FOECCUOYGXCSAV-SECBINFHSA-N 0 0 194.278 2.000 10 0 ADAERN CC(=O)[C@H](C)[C@@H](C)[C@@H](C)O 87131722 573792780 /nfs/dbraw/zinc/79/27/80/573792780.db2.gz IEYZUIJDBGQNGY-FSDSQADBSA-N 0 0 144.214 1.228 10 0 ADAERN C[C@]12CCOC[C@@H]1C(=O)CC2 238520599 573792791 /nfs/dbraw/zinc/79/27/91/573792791.db2.gz YBKWXYOPUIRQBG-APPZFPTMSA-N 0 0 154.209 1.392 10 0 ADAERN C=CON1C(=O)C2=CCCC[C@@H]2C1=O 238103589 573792825 /nfs/dbraw/zinc/79/28/25/573792825.db2.gz XZLGKQQQBZQNKL-QMMMGPOBSA-N 0 0 193.202 1.157 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1cccnc1 87139271 573792829 /nfs/dbraw/zinc/79/28/29/573792829.db2.gz UVYZBGNUERYYIX-JGVFFNPUSA-N 0 0 167.208 1.230 10 0 ADAERN CC(C)(CO)[C@@H](O)C1CCCCC1 238119791 573792856 /nfs/dbraw/zinc/79/28/56/573792856.db2.gz PZWFRZJRPVLAAZ-JTQLQIEISA-N 0 0 186.295 1.946 10 0 ADAERN Cc1c(N)cccc1C(N)=S 238521396 573792868 /nfs/dbraw/zinc/79/28/68/573792868.db2.gz DGSGHUNOJSNMEZ-UHFFFAOYSA-N 0 0 166.249 1.211 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)C2)c(N)c1 238521145 573792890 /nfs/dbraw/zinc/79/28/90/573792890.db2.gz KQNZLIDJEWWQSO-QMMMGPOBSA-N 0 0 190.246 1.181 10 0 ADAERN CCCc1nnc2cccc(C=O)n12 258130464 573792896 /nfs/dbraw/zinc/79/28/96/573792896.db2.gz ZRMFJGHXSDCYIV-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN O=c1cc2[nH]cccc-2o1 100306274 573792920 /nfs/dbraw/zinc/79/29/20/573792920.db2.gz DZXONXBNMAFQHC-UHFFFAOYSA-N 0 0 135.122 1.533 10 0 ADAERN COc1cccc([C@@H](C)NN)c1OC 127211050 573792921 /nfs/dbraw/zinc/79/29/21/573792921.db2.gz UYUJBMXVATWTED-SSDOTTSWSA-N 0 0 196.250 1.228 10 0 ADAERN CCCCCNc1ccc(=O)n(C)n1 308729291 573792959 /nfs/dbraw/zinc/79/29/59/573792959.db2.gz IISSWWHLUZRGCI-UHFFFAOYSA-N 0 0 195.266 1.382 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1ccc(N)cn1 87131247 573792969 /nfs/dbraw/zinc/79/29/69/573792969.db2.gz FDXMZVFZKBDVFP-RNFRBKRXSA-N 0 0 198.291 1.525 10 0 ADAERN COc1cc(C=O)cc2cn(C)nc12 259569558 573794088 /nfs/dbraw/zinc/79/40/88/573794088.db2.gz WGQSNWSVJMKIJO-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN CCOC(=O)CCCc1c[nH]cn1 35784278 573794103 /nfs/dbraw/zinc/79/41/03/573794103.db2.gz IXYJLACULHVSFE-UHFFFAOYSA-N 0 0 182.223 1.296 10 0 ADAERN CCCCCCNC(=O)[C@H](O)CC 308441949 573794125 /nfs/dbraw/zinc/79/41/25/573794125.db2.gz ZDRFMQMKNFGAIW-SECBINFHSA-N 0 0 187.283 1.454 10 0 ADAERN C/C(=C\C[NH2+]C[C@H](C)C(C)C)C(=O)[O-] 308440524 573793378 /nfs/dbraw/zinc/79/33/78/573793378.db2.gz ZBJSYVNDNYVJAZ-CYNRKNSPSA-N 0 0 199.294 1.899 10 0 ADAERN C[C@@H](O)[C@@H](F)c1ccccc1O 258514780 573793382 /nfs/dbraw/zinc/79/33/82/573793382.db2.gz LRTPMIWTKMQBKL-HZGVNTEJSA-N 0 0 170.183 1.784 10 0 ADAERN N#CN1Cc2ccccc2C1=O 259187917 573793391 /nfs/dbraw/zinc/79/33/91/573793391.db2.gz HYCNTTSWLNYVMX-UHFFFAOYSA-N 0 0 158.160 1.123 10 0 ADAERN CC1(C)[C@@H](O)CCCN1C(=O)C1CC1 259187302 573793429 /nfs/dbraw/zinc/79/34/29/573793429.db2.gz OXWLOAHDMOVBKX-VIFPVBQESA-N 0 0 197.278 1.158 10 0 ADAERN c1cc(-c2ncc[nH]2)c2c[nH]nc2c1 76188862 573793434 /nfs/dbraw/zinc/79/34/34/573793434.db2.gz ZFSOXEFENNTIPN-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN CCOCC[C@H](CC(C)C)NN 127291610 573793441 /nfs/dbraw/zinc/79/34/41/573793441.db2.gz RSWXEPSZCXVANO-SECBINFHSA-N 0 0 174.288 1.291 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)C2)c(O)c1 238521169 573793448 /nfs/dbraw/zinc/79/34/48/573793448.db2.gz DFAZBURPZLDLAE-QMMMGPOBSA-N 0 0 191.230 1.304 10 0 ADAERN O[C@@H]1C[C@H]2CC(F)(F)C[C@H]2C1 258514931 573793454 /nfs/dbraw/zinc/79/34/54/573793454.db2.gz LSKOGCGJZBLMAE-ZMONIFLSSA-N 0 0 162.179 1.803 10 0 ADAERN C=CO[C@H]1CCCC[C@@H]1NC=O 238103986 573793500 /nfs/dbraw/zinc/79/35/00/573793500.db2.gz GGHKTUZXLAOUMD-IUCAKERBSA-N 0 0 169.224 1.204 10 0 ADAERN CC(=O)[C@H](C)[C@H](C)[C@@H](C)O 87131721 573793505 /nfs/dbraw/zinc/79/35/05/573793505.db2.gz IEYZUIJDBGQNGY-RRKCRQDMSA-N 0 0 144.214 1.228 10 0 ADAERN Cc1ccc(C)n1N[C@H](C)[C@@H](C)O 87130705 573793514 /nfs/dbraw/zinc/79/35/14/573793514.db2.gz YKFWSOODJFQMBX-NXEZZACHSA-N 0 0 182.267 1.418 10 0 ADAERN CO/C=C/CCC(=O)OC 33841864 573793535 /nfs/dbraw/zinc/79/35/35/573793535.db2.gz PFYUVRCOQDJTCR-GQCTYLIASA-N 0 0 144.170 1.100 10 0 ADAERN C[C@H](O)[C@H](C)Sc1ncccc1N 87131244 573793544 /nfs/dbraw/zinc/79/35/44/573793544.db2.gz SAHZHWJUARYFBV-BQBZGAKWSA-N 0 0 198.291 1.525 10 0 ADAERN CC/C=C/C(=O)N[C@@H]1C[C@H]1OCC 308442029 573793554 /nfs/dbraw/zinc/79/35/54/573793554.db2.gz ZERQONPWLPFFEH-JKKBLNIGSA-N 0 0 183.251 1.246 10 0 ADAERN CC[C@H](C(C)=O)[C@H](C)[C@@H](C)O 87131727 573793615 /nfs/dbraw/zinc/79/36/15/573793615.db2.gz SQCXSOGLEUYNRF-BHNWBGBOSA-N 0 0 158.241 1.619 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)C2)c(C)n1 238521002 573793633 /nfs/dbraw/zinc/79/36/33/573793633.db2.gz HNRMSYBRJBNSAS-VIFPVBQESA-N 0 0 190.246 1.302 10 0 ADAERN CC(C)(C[C@@H]([NH3+])C(C)(C)C)C(=O)[O-] 259185270 573793656 /nfs/dbraw/zinc/79/36/56/573793656.db2.gz FKXDYGYPJVHHAO-SSDOTTSWSA-N 0 0 187.283 1.861 10 0 ADAERN CC(=O)C[C@@H]1C[C@H](O)[C@@H]2CCC=C[C@@H]12 238119973 573793666 /nfs/dbraw/zinc/79/36/66/573793666.db2.gz SOSAFKOUYQPOGW-KXNHARMFSA-N 0 0 194.274 1.929 10 0 ADAERN Cc1nccc([C@@H](N)c2ccco2)n1 125119430 573793681 /nfs/dbraw/zinc/79/36/81/573793681.db2.gz DFZHILJRVUIHKM-SNVBAGLBSA-N 0 0 189.218 1.426 10 0 ADAERN COc1ccc2[nH]c(=O)c(C)c-2[nH]1 108460425 573793687 /nfs/dbraw/zinc/79/36/87/573793687.db2.gz XWGJFCQBDJJTDN-RXMQYKEDSA-N 0 0 178.191 1.146 10 0 ADAERN CC(C)(C(N)=O)[C@@H]1CC[C@@](C)(O)C1 238103479 573793692 /nfs/dbraw/zinc/79/36/92/573793692.db2.gz ANBQTUIGTXNVFE-GMSGAONNSA-N 0 0 185.267 1.049 10 0 ADAERN CNC(=O)Nc1cc(F)ccc1N 125126803 573793710 /nfs/dbraw/zinc/79/37/10/573793710.db2.gz JBHVJMVJUREGSE-UHFFFAOYSA-N 0 0 183.186 1.159 10 0 ADAERN CC(=O)CC[C@@H]1CON=C1Cl 238102948 573793712 /nfs/dbraw/zinc/79/37/12/573793712.db2.gz XTHQLNRRYQUCME-ZCFIWIBFSA-N 0 0 175.615 1.554 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/nfs/dbraw/zinc/79/38/73/573793873.db2.gz FCFQLCNTBNKPNX-UHFFFAOYSA-N 0 0 178.191 1.161 10 0 ADAERN CCCCCOC(=O)[C@@H]1CCCCN1 40954261 573793880 /nfs/dbraw/zinc/79/38/80/573793880.db2.gz SDQOVBGBMCUAML-JTQLQIEISA-N 0 0 199.294 1.862 10 0 ADAERN OCc1ccn(-c2ccc(F)cc2)n1 84179385 573793884 /nfs/dbraw/zinc/79/38/84/573793884.db2.gz LKXJHNJPHMJOFY-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN CC(=O)O[C@H]1O[C@@H](O)c2ccccc21 238103409 573793887 /nfs/dbraw/zinc/79/38/87/573793887.db2.gz ZJYUIJRMDXSCGB-ZJUUUORDSA-N 0 0 194.186 1.269 10 0 ADAERN Cc1c(N)ccc2c1COCO2 238520271 573793889 /nfs/dbraw/zinc/79/38/89/573793889.db2.gz SXCYSQUOHCBBPX-UHFFFAOYSA-N 0 0 165.192 1.444 10 0 ADAERN CC(=O)Nc1ncnc2scnc12 238104470 573793895 /nfs/dbraw/zinc/79/38/95/573793895.db2.gz DMPAWMHHQRKORP-UHFFFAOYSA-N 0 0 194.219 1.045 10 0 ADAERN F/C(=C\Cl)n1ccnc1 223418779 573793902 /nfs/dbraw/zinc/79/39/02/573793902.db2.gz QBDLOENYKAJXBP-HWKANZROSA-N 0 0 146.552 1.847 10 0 ADAERN CC(C)C1(C(=O)[O-])C=CC(C[NH3+])C=C1 238102634 573793917 /nfs/dbraw/zinc/79/39/17/573793917.db2.gz RUDIFUHJWROMHY-UHFFFAOYSA-N 0 0 195.262 1.414 10 0 ADAERN CCO[C@H](C)C(=O)OC[C@@H]1C[C@@H]1C 308441413 573793935 /nfs/dbraw/zinc/79/39/35/573793935.db2.gz YYYUQDJBYWVNOR-YIZRAAEISA-N 0 0 186.251 1.611 10 0 ADAERN Cc1cnc(C[NH3+])c([O-])c1C(F)F 238520549 573793943 /nfs/dbraw/zinc/79/39/43/573793943.db2.gz AOJZUBXOTRJSLB-UHFFFAOYSA-N 0 0 188.177 1.492 10 0 ADAERN C1=NN[C@@H]2C1=C1C[C@@H]1C21CCCC1 238103088 573793944 /nfs/dbraw/zinc/79/39/44/573793944.db2.gz LJCFWIRBHZOIFZ-VHSXEESVSA-N 0 0 174.247 1.835 10 0 ADAERN CC(=O)C[C@@H]1C[C@@](C)(O)C1(C)C 238119879 573793986 /nfs/dbraw/zinc/79/39/86/573793986.db2.gz ACWRWPUTIUGXHR-PSASIEDQSA-N 0 0 170.252 1.763 10 0 ADAERN C1=NN[C@@H]2C1=C1C[C@H]1C21CCCC1 238103042 573793993 /nfs/dbraw/zinc/79/39/93/573793993.db2.gz LJCFWIRBHZOIFZ-NXEZZACHSA-N 0 0 174.247 1.835 10 0 ADAERN CCCCCOC(=O)CNC1CC1 40954390 573793997 /nfs/dbraw/zinc/79/39/97/573793997.db2.gz SWDVKRCNFQXHGD-UHFFFAOYSA-N 0 0 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573799045 /nfs/dbraw/zinc/79/90/45/573799045.db2.gz GBJIMZHMVFUZDR-VIFPVBQESA-N 0 0 160.257 1.414 10 0 ADAERN [NH3+]C1SC=CC1=S 84225242 573799054 /nfs/dbraw/zinc/79/90/54/573799054.db2.gz MACFWBNLSNOHSB-UHFFFAOYSA-N 0 0 131.225 1.619 10 0 ADAERN Cc1cnc(C=O)c(C(F)F)c1N 238514042 573799055 /nfs/dbraw/zinc/79/90/55/573799055.db2.gz JLINKCHWGKGKGJ-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CO[C@H](c1noc([C@H](C)N)n1)C1CC1 131240389 573799065 /nfs/dbraw/zinc/79/90/65/573799065.db2.gz BZWDSMZJFCAMMZ-FSPLSTOPSA-N 0 0 197.238 1.187 10 0 ADAERN Cc1nc(C)c(C[C@@H](C)O)s1 84286230 573799070 /nfs/dbraw/zinc/79/90/70/573799070.db2.gz LIVKQGFSRXRIGD-RXMQYKEDSA-N 0 0 171.265 1.683 10 0 ADAERN CC/C=C\C(=O)N1CCCSCC1 393590459 573799072 /nfs/dbraw/zinc/79/90/72/573799072.db2.gz NGZLFHHEDCXCCW-HYXAFXHYSA-N 0 0 199.319 1.918 10 0 ADAERN Cc1nc(C=O)c(C(F)F)cc1N 238514026 573799102 /nfs/dbraw/zinc/79/91/02/573799102.db2.gz BANJUWXRDZKGIX-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN O=Cc1cc([C@@H]2CCCSC2)n[nH]1 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C[C@H](O)C1(CC(C)(C)O)CC1 642820022 573799176 /nfs/dbraw/zinc/79/91/76/573799176.db2.gz DVNDOIZZDGIDHE-ZETCQYMHSA-N 0 0 158.241 1.308 10 0 ADAERN Cc1ccc(N(C)C)c(CCON)c1 258128716 573799177 /nfs/dbraw/zinc/79/91/77/573799177.db2.gz RHALKVWRTHPMJA-UHFFFAOYSA-N 0 0 194.278 1.494 10 0 ADAERN CC(C)=C1SCCNC1=O 238125284 573799193 /nfs/dbraw/zinc/79/91/93/573799193.db2.gz HJUIFRIKKPPLAY-UHFFFAOYSA-N 0 0 157.238 1.143 10 0 ADAERN C[C@H](CO)c1c(O)ccc(F)c1F 258131280 573799194 /nfs/dbraw/zinc/79/91/94/573799194.db2.gz RNHANYLKYHHTEK-RXMQYKEDSA-N 0 0 188.173 1.766 10 0 ADAERN Cc1c2c(c(C)n1C)CC(=O)C2 238514672 573799210 /nfs/dbraw/zinc/79/92/10/573799210.db2.gz GWGKXRWXMMXWKV-UHFFFAOYSA-N 0 0 163.220 1.310 10 0 ADAERN C[C@@H](O)C[C@@H](O)/C=C\c1ccccc1 308438817 573799211 /nfs/dbraw/zinc/79/92/11/573799211.db2.gz AGMGAWQHGXPHJP-ALPGUUAYSA-N 0 0 192.258 1.832 10 0 ADAERN COCc1ccc(C[C@@H](C)O)cc1F 258130931 573799221 /nfs/dbraw/zinc/79/92/21/573799221.db2.gz RKSYCWJQGXRLBP-MRVPVSSYSA-N 0 0 198.237 1.895 10 0 ADAERN CC(C)CC[C@H]1C[C@@H](O)CC1=O 238125765 573799225 /nfs/dbraw/zinc/79/92/25/573799225.db2.gz MHJFFJGORJYUEH-DTWKUNHWSA-N 0 0 170.252 1.763 10 0 ADAERN CC(=O)c1cc(C(C)=O)c(=O)[nH]c1C 238128877 573799246 /nfs/dbraw/zinc/79/92/46/573799246.db2.gz QWRBTUMJZWASMV-UHFFFAOYSA-N 0 0 193.202 1.089 10 0 ADAERN Cc1nc(C=O)cc(C(F)F)c1N 238514879 573799268 /nfs/dbraw/zinc/79/92/68/573799268.db2.gz MQPSGBAUOAKANN-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC(=O)c1c(O)ccc(O)c1Cl 238124690 573799271 /nfs/dbraw/zinc/79/92/71/573799271.db2.gz VWRFHUIYMXLUTD-UHFFFAOYSA-N 0 0 186.594 1.954 10 0 ADAERN CC(=O)CC[C@H]1CON=C1Cl 238105630 573799290 /nfs/dbraw/zinc/79/92/90/573799290.db2.gz XTHQLNRRYQUCME-LURJTMIESA-N 0 0 175.615 1.554 10 0 ADAERN CC(C)(O)c1ccc2c(c1F)CCO2 258128714 573799296 /nfs/dbraw/zinc/79/92/96/573799296.db2.gz RGUZFZPDXXSDSZ-UHFFFAOYSA-N 0 0 196.221 1.988 10 0 ADAERN CC(C)(C)SC[C@@H]1CC(=O)N1 238125539 573799308 /nfs/dbraw/zinc/79/93/08/573799308.db2.gz IGQFHXNBCDLGJZ-LURJTMIESA-N 0 0 173.281 1.407 10 0 ADAERN Cc1c(N)c(C)c(O)c(C)c1N 238514289 573799315 /nfs/dbraw/zinc/79/93/15/573799315.db2.gz AGJKTQHBIBIENL-UHFFFAOYSA-N 0 0 166.224 1.482 10 0 ADAERN CCN1CCC[C@H]1c1cc(C=O)no1 259191575 573799324 /nfs/dbraw/zinc/79/93/24/573799324.db2.gz KFDRSPJTYBAEMR-VIFPVBQESA-N 0 0 194.234 1.644 10 0 ADAERN COc1c(CON)cc(C)c(C)c1O 258128656 573799331 /nfs/dbraw/zinc/79/93/31/573799331.db2.gz RGHWHJGFTTUIQI-UHFFFAOYSA-N 0 0 197.234 1.408 10 0 ADAERN OCC[C@H]1CCC[C@H](CO)C1 221911695 573799345 /nfs/dbraw/zinc/79/93/45/573799345.db2.gz JAIGOOOVECVZIN-BDAKNGLRSA-N 0 0 158.241 1.168 10 0 ADAERN C[C@H](O)[C@H]1Cc2c(O)cccc2N1C 258131325 573799348 /nfs/dbraw/zinc/79/93/48/573799348.db2.gz KFCPSABEPYJVMW-OIBJUYFYSA-N 0 0 193.246 1.134 10 0 ADAERN CC[C@H](O)C(=O)NCCCC(C)C 308443378 573799354 /nfs/dbraw/zinc/79/93/54/573799354.db2.gz ZVYHRBQVFCPOQB-VIFPVBQESA-N 0 0 187.283 1.310 10 0 ADAERN C[C@H]1CCO[C@@H]1c1nc(N)ns1 125139312 573799358 /nfs/dbraw/zinc/79/93/58/573799358.db2.gz JBRUYJWYUSJZQC-WHFBIAKZSA-N 0 0 185.252 1.218 10 0 ADAERN C[C@H](O)C(=O)N(C)c1cccs1 258954356 573799363 /nfs/dbraw/zinc/79/93/63/573799363.db2.gz XGHHPKCCMSUAEI-LURJTMIESA-N 0 0 185.248 1.092 10 0 ADAERN CC(C)C[C@@H]([NH2+][C@H](C)C1CC1)C(=O)[O-] 43432051 573799374 /nfs/dbraw/zinc/79/93/74/573799374.db2.gz JUNSQTCJFNNMTN-PSASIEDQSA-N 0 0 199.294 1.874 10 0 ADAERN CCn1[nH]c(=O)c2c(C=O)cccc21 257878437 573799375 /nfs/dbraw/zinc/79/93/75/573799375.db2.gz VBHLCQYWDPKGJO-UHFFFAOYSA-N 0 0 190.202 1.574 10 0 ADAERN CC(C)Oc1ncc(N)n1C(C)C 258131175 573799381 /nfs/dbraw/zinc/79/93/81/573799381.db2.gz KEKVWJDARBFLCY-UHFFFAOYSA-N 0 0 183.255 1.833 10 0 ADAERN Cc1cc([C@@H](O)C(C)(C)O)oc1C 238514054 573799386 /nfs/dbraw/zinc/79/93/86/573799386.db2.gz BYSSPTKFNRPGEC-SECBINFHSA-N 0 0 184.235 1.701 10 0 ADAERN Cc1nc2cc([C@@H](C)O)ccc2[nH]1 76209683 573799389 /nfs/dbraw/zinc/79/93/89/573799389.db2.gz XOIKQUGFCRSIMZ-ZCFIWIBFSA-N 0 0 176.219 1.925 10 0 ADAERN Cc1noc2c(CCON)cccc12 258131342 573799393 /nfs/dbraw/zinc/79/93/93/573799393.db2.gz RNTUYTKJNNDCIF-UHFFFAOYSA-N 0 0 192.218 1.569 10 0 ADAERN CN(CO)Cc1cc(F)ccc1F 258951884 573799427 /nfs/dbraw/zinc/79/94/27/573799427.db2.gz RMXDXGSFAUZIFK-UHFFFAOYSA-N 0 0 187.189 1.346 10 0 ADAERN Nc1oc(C=O)cc1Br 84229381 573799440 /nfs/dbraw/zinc/79/94/40/573799440.db2.gz AOJSVLYJWSLQDG-UHFFFAOYSA-N 0 0 189.996 1.437 10 0 ADAERN C[C@@H](CCO)Nc1noc(C2CC2)n1 308747386 573799466 /nfs/dbraw/zinc/79/94/66/573799466.db2.gz RXQUKRVJYXVSPZ-LURJTMIESA-N 0 0 197.238 1.130 10 0 ADAERN Cc1nc(C2CC2)sc1C(=O)CN 257878439 573799467 /nfs/dbraw/zinc/79/94/67/573799467.db2.gz VBHPRVSCRVVGLA-UHFFFAOYSA-N 0 0 196.275 1.470 10 0 ADAERN C[C@H](O)c1ccc2ncn(C)c2c1 76208538 573799478 /nfs/dbraw/zinc/79/94/78/573799478.db2.gz ZWTZSKAZLKCCQL-ZETCQYMHSA-N 0 0 176.219 1.627 10 0 ADAERN Oc1c(C2(O)CC2)ccc2c1CCC2 258128751 573799515 /nfs/dbraw/zinc/79/95/15/573799515.db2.gz RHMFKRNIOBVKIT-UHFFFAOYSA-N 0 0 190.242 1.862 10 0 ADAERN C[C@@H](O)C(=O)N(C)c1cccs1 258954360 573799522 /nfs/dbraw/zinc/79/95/22/573799522.db2.gz XGHHPKCCMSUAEI-ZCFIWIBFSA-N 0 0 185.248 1.092 10 0 ADAERN C/C=C\C(=O)N[C@@H](C)c1ncc(C)o1 308437559 573799527 /nfs/dbraw/zinc/79/95/27/573799527.db2.gz ADCNOLITSSLFOL-LGYSABEFSA-N 0 0 194.234 1.736 10 0 ADAERN CC(=O)C[C@H](O)c1ccccc1NO 238127094 573799536 /nfs/dbraw/zinc/79/95/36/573799536.db2.gz QQISTOUIJSQCOS-JTQLQIEISA-N 0 0 195.218 1.500 10 0 ADAERN CN(CC1(CO)CC1)c1cc[nH]c1 258952184 573799539 /nfs/dbraw/zinc/79/95/39/573799539.db2.gz QUSQUMZJUPYKNN-UHFFFAOYSA-N 0 0 180.251 1.223 10 0 ADAERN COC(OC)[C@H](C1C=CC=C1)[C@@H](C)O 238350520 573799548 /nfs/dbraw/zinc/79/95/48/573799548.db2.gz VTWADXXRNZHUND-SCZZXKLOSA-N 0 0 198.262 1.345 10 0 ADAERN Cc1ccc([C@@H]2CNC2=O)cc1 238521445 573799573 /nfs/dbraw/zinc/79/95/73/573799573.db2.gz KOOJCAWIGYHGQN-VIFPVBQESA-N 0 0 161.204 1.208 10 0 ADAERN C[C@H](C(=O)[O-])c1nc(C(C)(C)C)c[nH]1 107237119 573799578 /nfs/dbraw/zinc/79/95/78/573799578.db2.gz QEWMTGYZORJRAK-LURJTMIESA-N 0 0 196.250 1.895 10 0 ADAERN C[C@]12CCC[C@@H]1C[C@@H](O)[C@@H](O)C2 238514819 573799586 /nfs/dbraw/zinc/79/95/86/573799586.db2.gz VKOHGCRDIAZRJW-DOLQZWNJSA-N 0 0 170.252 1.308 10 0 ADAERN OCCSc1ccc2ncoc2c1 259190094 573799664 /nfs/dbraw/zinc/79/96/64/573799664.db2.gz YAEWKYXPOQNRPF-UHFFFAOYSA-N 0 0 195.243 1.912 10 0 ADAERN Cn1ccc(Cc2ccc(N)o2)c1 238514586 573799676 /nfs/dbraw/zinc/79/96/76/573799676.db2.gz LYIFERSCQYIMDE-UHFFFAOYSA-N 0 0 176.219 1.791 10 0 ADAERN CC(C)CC[C@H]1CNC(=O)C1 238125442 573799677 /nfs/dbraw/zinc/79/96/77/573799677.db2.gz ZJRJLPFPGDFHON-MRVPVSSYSA-N 0 0 155.241 1.559 10 0 ADAERN Cc1ccc(N)cc1[C@H]([NH3+])CC(=O)[O-] 238514218 573799720 /nfs/dbraw/zinc/79/97/20/573799720.db2.gz BLOFPVYRPYUAKO-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN CC1=C(C(C)C)SN(C(N)=O)C1 238105317 573799722 /nfs/dbraw/zinc/79/97/22/573799722.db2.gz QWIAANKKAPLQBL-UHFFFAOYSA-N 0 0 186.280 1.959 10 0 ADAERN Cc1[nH]c2ccc(N(C)C)cc2[nH+]1 76209558 573799723 /nfs/dbraw/zinc/79/97/23/573799723.db2.gz IEEFIUGQKANOMF-UHFFFAOYSA-N 0 0 175.235 1.937 10 0 ADAERN Cc1nccc([C@@H](N)c2ccoc2)n1 125140864 573799729 /nfs/dbraw/zinc/79/97/29/573799729.db2.gz HAVDKYIZOBKJCE-JTQLQIEISA-N 0 0 189.218 1.426 10 0 ADAERN C[C@H](O)C[C@@H]1CCSC1 84288332 573799737 /nfs/dbraw/zinc/79/97/37/573799737.db2.gz IARSWNNAQNPLAX-BQBZGAKWSA-N 0 0 146.255 1.510 10 0 ADAERN Cc1coc(COc2cccnc2)n1 257878742 573799745 /nfs/dbraw/zinc/79/97/45/573799745.db2.gz JTOCPNMOUUBCFD-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN NOCc1cc2ccc(F)cc2o1 258128609 573799755 /nfs/dbraw/zinc/79/97/55/573799755.db2.gz KAOUOWJNTUXNAM-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN CCC[C@@H]1CN(C#N)C(=O)N1C 259191002 573799778 /nfs/dbraw/zinc/79/97/78/573799778.db2.gz ARWAONISDXSAJI-SSDOTTSWSA-N 0 0 167.212 1.004 10 0 ADAERN C=C/C=C\CCCO 33842147 573799787 /nfs/dbraw/zinc/79/97/87/573799787.db2.gz WNWNZFFQYAFLGP-ARJAWSKDSA-N 0 0 112.172 1.501 10 0 ADAERN Cc1coc([C@H](N)c2ccncn2)c1 716186676 573799792 /nfs/dbraw/zinc/79/97/92/573799792.db2.gz ADXPBJMHBMYNTD-SNVBAGLBSA-N 0 0 189.218 1.426 10 0 ADAERN COc1ccc(Cl)c(CNO)c1 258131081 573799793 /nfs/dbraw/zinc/79/97/93/573799793.db2.gz RLOYALPNDIMDSP-UHFFFAOYSA-N 0 0 187.626 1.827 10 0 ADAERN CC(=O)[C@]12CC(C)(C)[C@H]1C=CO2 238105154 573799794 /nfs/dbraw/zinc/79/97/94/573799794.db2.gz BUJAPQJRPWVSBI-PSASIEDQSA-N 0 0 166.220 1.904 10 0 ADAERN Cc1cccc(OCC[C@@H](C)NN)c1 127227634 573799818 /nfs/dbraw/zinc/79/98/18/573799818.db2.gz XOXFMUSFZGLHBI-SNVBAGLBSA-N 0 0 194.278 1.616 10 0 ADAERN CC(C)Cc1csc(=NN)[nH]1 259189093 573799819 /nfs/dbraw/zinc/79/98/19/573799819.db2.gz HLLBEKGJYMMULS-UHFFFAOYSA-N 0 0 171.269 1.627 10 0 ADAERN CC(=O)c1c[nH]c2cc(N)ccc12 238126075 573799844 /nfs/dbraw/zinc/79/98/44/573799844.db2.gz OULYMBQCHBGNBO-UHFFFAOYSA-N 0 0 174.203 1.953 10 0 ADAERN Cc1cccc([C@H](O)C2COC2)c1 238514518 573799857 /nfs/dbraw/zinc/79/98/57/573799857.db2.gz LEWOBBKDACBBQQ-NSHDSACASA-N 0 0 178.231 1.675 10 0 ADAERN CCc1ccc(OC)c(N(C)CO)c1 258949832 573799863 /nfs/dbraw/zinc/79/98/63/573799863.db2.gz RGQKJLGUXPSPKB-UHFFFAOYSA-N 0 0 195.262 1.644 10 0 ADAERN C[C@H]1C[C@@](C)(O)CCC1=O 238514507 573799868 /nfs/dbraw/zinc/79/98/68/573799868.db2.gz TYVNOCVDBRPZEK-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H](CO)c1c(O)ccc(F)c1F 258131287 573799869 /nfs/dbraw/zinc/79/98/69/573799869.db2.gz RNHANYLKYHHTEK-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN Cc1ccc(N)c(N2CC[C@H](O)C2)c1 87150130 573799887 /nfs/dbraw/zinc/79/98/87/573799887.db2.gz XEJOUFFWAQOAPE-VIFPVBQESA-N 0 0 192.262 1.148 10 0 ADAERN Cc1ccc(F)c(CCCO)c1O 258128593 573799891 /nfs/dbraw/zinc/79/98/91/573799891.db2.gz RERHTSJHLDIGKO-UHFFFAOYSA-N 0 0 184.210 1.765 10 0 ADAERN CC1(C)CNc2c(N)cccc2N1 258427242 573799905 /nfs/dbraw/zinc/79/99/05/573799905.db2.gz FMDXEKFGHKCGAS-UHFFFAOYSA-N 0 0 177.251 1.885 10 0 ADAERN CC(C)(C)C(=O)N[C@@H]1CCCC(=O)C1 238125639 573799907 /nfs/dbraw/zinc/79/99/07/573799907.db2.gz XONBHAILWJOJEK-MRVPVSSYSA-N 0 0 197.278 1.660 10 0 ADAERN CC(C)[C@]1(CO)CCOC1 87155590 573799914 /nfs/dbraw/zinc/79/99/14/573799914.db2.gz HTOIXIDAPFWFJA-QMMMGPOBSA-N 0 0 144.214 1.041 10 0 ADAERN Cc1cc2c[nH]c(=O)nc2cc1C 238514484 573799915 /nfs/dbraw/zinc/79/99/15/573799915.db2.gz TWQRLTIEGWKQDQ-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN CC(=O)c1coc(-c2cccnc2)n1 258131070 573799925 /nfs/dbraw/zinc/79/99/25/573799925.db2.gz PGFFNZGNKLVMCK-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2CC(=O)C[C@H]21 238515207 573799933 /nfs/dbraw/zinc/79/99/33/573799933.db2.gz LAZUIVKXXILOIO-HAFWLYHUSA-N 0 0 152.193 1.191 10 0 ADAERN FC(F)(F)c1nc2c([nH]1)CN=CN2 238514911 573799945 /nfs/dbraw/zinc/79/99/45/573799945.db2.gz UTBZGGOQEFPMDS-UHFFFAOYSA-N 0 0 190.128 1.192 10 0 ADAERN C[C@H](O)C[C@@H](O)/C=C\c1ccccc1 308438818 573799948 /nfs/dbraw/zinc/79/99/48/573799948.db2.gz AGMGAWQHGXPHJP-RUSZENMMSA-N 0 0 192.258 1.832 10 0 ADAERN CC[C@H](C)[C@H](CO)Nc1ncccn1 308747733 573799952 /nfs/dbraw/zinc/79/99/52/573799952.db2.gz SIOAZJMHQXYBJK-IUCAKERBSA-N 0 0 195.266 1.296 10 0 ADAERN CCCc1nc(N(C)C2CC2)no1 308443463 573799956 /nfs/dbraw/zinc/79/99/56/573799956.db2.gz AASYJSIDDBCNKK-UHFFFAOYSA-N 0 0 181.239 1.621 10 0 ADAERN OC1(Cc2ccc3c(c2)OCC3)CC1 258128672 573799959 /nfs/dbraw/zinc/79/99/59/573799959.db2.gz RGLKOZPIHNYJNS-UHFFFAOYSA-N 0 0 190.242 1.689 10 0 ADAERN CSc1cc(C(=O)CN)ccc1C 258130845 573799968 /nfs/dbraw/zinc/79/99/68/573799968.db2.gz RJVBHBHZORBBTG-UHFFFAOYSA-N 0 0 195.287 1.858 10 0 ADAERN C[C@@H]1C(=O)[C@@H]2CC=C[C@@H]12 238514742 573799978 /nfs/dbraw/zinc/79/99/78/573799978.db2.gz LVQQHTLYHQNUBZ-LYFYHCNISA-N 0 0 122.167 1.398 10 0 ADAERN COC(=O)Cc1cc(Cl)c(C)[nH]1 259572001 573799992 /nfs/dbraw/zinc/79/99/92/573799992.db2.gz JJYVTSFKEFXCPF-UHFFFAOYSA-N 0 0 187.626 1.692 10 0 ADAERN CC(=O)[C@]1(C)C[C@H](C)C1=O 238513937 573800034 /nfs/dbraw/zinc/80/00/34/573800034.db2.gz VRWRYMGPVINZQW-XNCJUZBTSA-N 0 0 140.182 1.191 10 0 ADAERN Cc1nc(C)c(C[C@H](C)O)s1 84286231 573800046 /nfs/dbraw/zinc/80/00/46/573800046.db2.gz LIVKQGFSRXRIGD-YFKPBYRVSA-N 0 0 171.265 1.683 10 0 ADAERN C[C@H](O)C[C@H]1CCSC1 84288334 573800089 /nfs/dbraw/zinc/80/00/89/573800089.db2.gz IARSWNNAQNPLAX-NKWVEPMBSA-N 0 0 146.255 1.510 10 0 ADAERN FC(F)C(F)(F)c1c[nH]cn1 238521267 573800094 /nfs/dbraw/zinc/80/00/94/573800094.db2.gz RFWSNNFZMYIESG-UHFFFAOYSA-N 0 0 168.093 1.767 10 0 ADAERN C[NH2+][C@H](C)C1CCC(C(=O)[O-])CC1 259188626 573800097 /nfs/dbraw/zinc/80/00/97/573800097.db2.gz DYCXCKJJQIPJND-AFPNSQJFSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1c(N)c(N)nc(Cl)c1Cl 238515427 573800119 /nfs/dbraw/zinc/80/01/19/573800119.db2.gz SMWWVJDLDHSISW-UHFFFAOYSA-N 0 0 192.049 1.861 10 0 ADAERN CC(=O)CCCN(C)c1cccnc1 258949835 573800132 /nfs/dbraw/zinc/80/01/32/573800132.db2.gz RGUGSJLZWOHEQD-UHFFFAOYSA-N 0 0 192.262 1.887 10 0 ADAERN C[C@@H]1C(=O)C[C@H]2CC(=O)C[C@@H]12 238515184 573800154 /nfs/dbraw/zinc/80/01/54/573800154.db2.gz LAZUIVKXXILOIO-BBVRLYRLSA-N 0 0 152.193 1.191 10 0 ADAERN CO[C@@H](C)Cc1ccc(CNO)cc1 258131011 573800158 /nfs/dbraw/zinc/80/01/58/573800158.db2.gz RLHVQCKDNMBMEV-VIFPVBQESA-N 0 0 195.262 1.743 10 0 ADAERN Cc1cc(Cl)cn2cnnc12 238515043 573800166 /nfs/dbraw/zinc/80/01/66/573800166.db2.gz RCMFTGNJANMRSB-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN C[C@H](O)c1coc(C2CCOCC2)n1 258130819 573800173 /nfs/dbraw/zinc/80/01/73/573800173.db2.gz PFOYNCVZRXINPI-ZETCQYMHSA-N 0 0 197.234 1.622 10 0 ADAERN C[C@H]1C[C@@]1(CO)c1ccc[nH]1 258951631 573800174 /nfs/dbraw/zinc/80/01/74/573800174.db2.gz FBTFRWXBQABZFA-CBAPKCEASA-N 0 0 151.209 1.285 10 0 ADAERN CC(=O)CC[C@H]1CCCCNC1=O 238105232 573800180 /nfs/dbraw/zinc/80/01/80/573800180.db2.gz JAFMLVKEDSYZRD-SECBINFHSA-N 0 0 183.251 1.272 10 0 ADAERN CC[C@@](C)(CO)CNc1ncccn1 308748639 573800193 /nfs/dbraw/zinc/80/01/93/573800193.db2.gz SQNYPBQDKSCFQL-SNVBAGLBSA-N 0 0 195.266 1.297 10 0 ADAERN Cc1ccc(-c2cc(CO)n(C)n2)o1 258427274 573800207 /nfs/dbraw/zinc/80/02/07/573800207.db2.gz FMYRSHSTHZRDCG-UHFFFAOYSA-N 0 0 192.218 1.481 10 0 ADAERN Cc1cccc(OCC[C@H](C)NN)c1 127227872 573800214 /nfs/dbraw/zinc/80/02/14/573800214.db2.gz XOXFMUSFZGLHBI-JTQLQIEISA-N 0 0 194.278 1.616 10 0 ADAERN CC(C)(C)C(=O)N[C@H]1CCCC(=O)C1 238125998 573800216 /nfs/dbraw/zinc/80/02/16/573800216.db2.gz XONBHAILWJOJEK-QMMMGPOBSA-N 0 0 197.278 1.660 10 0 ADAERN CC(C)(CO)c1cc(O)ccc1O 238125458 573800234 /nfs/dbraw/zinc/80/02/34/573800234.db2.gz WIQDTXNQFMBGRR-UHFFFAOYSA-N 0 0 182.219 1.368 10 0 ADAERN Cc1cc(C(F)F)nc(C=O)c1N 238514908 573800235 /nfs/dbraw/zinc/80/02/35/573800235.db2.gz GAYRULZMRWLHMY-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN COCc1ccc(C[C@H](C)O)cc1F 258130937 573800237 /nfs/dbraw/zinc/80/02/37/573800237.db2.gz RKSYCWJQGXRLBP-QMMMGPOBSA-N 0 0 198.237 1.895 10 0 ADAERN Cc1c(C(F)F)cnc(C=O)c1N 238514416 573800258 /nfs/dbraw/zinc/80/02/58/573800258.db2.gz CRBOYIWDFNYGJF-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1ccc(N)c(N[C@H](C)CO)c1 87149659 573800279 /nfs/dbraw/zinc/80/02/79/573800279.db2.gz NJXYPPDYWNHQOK-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1nc(Cl)c2c(n1)C[NH2+]CC2 84227111 573800293 /nfs/dbraw/zinc/80/02/93/573800293.db2.gz FEBORWOLNHSWKT-UHFFFAOYSA-N 0 0 183.642 1.084 10 0 ADAERN C[C@H]1OCC[C@]1(C)[NH2+]C/C=C/Cl 235649672 573800311 /nfs/dbraw/zinc/80/03/11/573800311.db2.gz GAMOBMLRSCWDRY-ZHBVTVBMSA-N 0 0 189.686 1.896 10 0 ADAERN CC(=O)Nc1nc2cccccc-2n1 238125731 573800340 /nfs/dbraw/zinc/80/03/40/573800340.db2.gz JGWXIQKDALCJGA-UHFFFAOYSA-N 0 0 187.202 1.540 10 0 ADAERN Cc1ccc(N)c(NC2CC(O)C2)c1 87150402 573800344 /nfs/dbraw/zinc/80/03/44/573800344.db2.gz BHDROWFPHOUQMK-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN CC(C)(CO)[C@H]1OC1(C)C 238124782 573800347 /nfs/dbraw/zinc/80/03/47/573800347.db2.gz KRLOTOBDBGUZSG-ZCFIWIBFSA-N 0 0 144.214 1.182 10 0 ADAERN COc1cc(CC(C)=O)cc(F)c1O 258128681 573800361 /nfs/dbraw/zinc/80/03/61/573800361.db2.gz RGOHFFFJRUNOQR-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN Cc1cnc(C=O)nc1Cl 238515040 573800369 /nfs/dbraw/zinc/80/03/69/573800369.db2.gz JXQWQQNBXCXURI-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN O=c1[nH]c2cc(C3(O)CC3)ccc2o1 258131193 573800373 /nfs/dbraw/zinc/80/03/73/573800373.db2.gz RMOSOXBORHRYKG-UHFFFAOYSA-N 0 0 191.186 1.103 10 0 ADAERN COc1cc(C)c(NCO)cc1OC 258949828 573800380 /nfs/dbraw/zinc/80/03/80/573800380.db2.gz RGHFGHCLIHURGU-UHFFFAOYSA-N 0 0 197.234 1.374 10 0 ADAERN Cc1cccc([C@H](O)[C@H]2CO2)c1 238514629 573800397 /nfs/dbraw/zinc/80/03/97/573800397.db2.gz DLENEVRGPWYKBB-ZJUUUORDSA-N 0 0 164.204 1.427 10 0 ADAERN C[C@]([NH3+])(C[Si](C)(C)C)C(=O)[O-] 238514951 573800418 /nfs/dbraw/zinc/80/04/18/573800418.db2.gz ZCUSTQZFLSBKBE-ZETCQYMHSA-N 0 0 175.304 1.127 10 0 ADAERN Cc1nc(CCc2ccccn2)c[nH]1 238514342 573800431 /nfs/dbraw/zinc/80/04/31/573800431.db2.gz RBPJHDWMFGIBNI-UHFFFAOYSA-N 0 0 187.246 1.898 10 0 ADAERN CC(C)(C)C(=O)Nc1cncnc1N 238126761 573800826 /nfs/dbraw/zinc/80/08/26/573800826.db2.gz SRATWMXBFQLCPL-UHFFFAOYSA-N 0 0 194.238 1.043 10 0 ADAERN CC(=O)[C@]12CCCCC[C@H]1O2 238105606 573800830 /nfs/dbraw/zinc/80/08/30/573800830.db2.gz ZHUARIPULATLFQ-RKDXNWHRSA-N 0 0 154.209 1.677 10 0 ADAERN CCn1cncc1/C=C(\C)C(=O)[O-] 211835614 573800836 /nfs/dbraw/zinc/80/08/36/573800836.db2.gz GWNUWVGISTXPKQ-QPJJXVBHSA-N 0 0 180.207 1.391 10 0 ADAERN Cc1ccc2c(c1)NC[C@@H](C)C(=O)N2 87151238 573800850 /nfs/dbraw/zinc/80/08/50/573800850.db2.gz HRMHXUVUCHKKJW-MRVPVSSYSA-N 0 0 190.246 1.995 10 0 ADAERN Cn1nc(CCCO)c2ccccc21 84243168 573800860 /nfs/dbraw/zinc/80/08/60/573800860.db2.gz DUCGNDHXQKWGRW-UHFFFAOYSA-N 0 0 190.246 1.498 10 0 ADAERN CC(C)CC(=O)[C@@H]1O[C@@H]1C 238124844 573800863 /nfs/dbraw/zinc/80/08/63/573800863.db2.gz BIVGMEQLABAZOE-HTRCEHHLSA-N 0 0 142.198 1.389 10 0 ADAERN CN(CCCO)c1cccc(N)c1 43444350 573800876 /nfs/dbraw/zinc/80/08/76/573800876.db2.gz HMOVNFLZJIJELX-UHFFFAOYSA-N 0 0 180.251 1.087 10 0 ADAERN C=Cc1c(C)[nH+]c(N)c(N)c1C 209741733 573800897 /nfs/dbraw/zinc/80/08/97/573800897.db2.gz ZOJMYGBTJNSPIC-UHFFFAOYSA-N 0 0 163.224 1.506 10 0 ADAERN CC(=O)C[C@H](O)c1ccccc1F 238127059 573800901 /nfs/dbraw/zinc/80/09/01/573800901.db2.gz KKZMCMVPJZCOON-JTQLQIEISA-N 0 0 182.194 1.838 10 0 ADAERN C[C@H]1C[C@@](C)(O)c2cc(N)ccc21 238514671 573800902 /nfs/dbraw/zinc/80/09/02/573800902.db2.gz DFGSWTRSPMOCFH-WRWORJQWSA-N 0 0 177.247 1.984 10 0 ADAERN C[C@@H]1C(=O)N[C@@]2(C)C(Cl)=C[C@@H]12 238514628 573800908 /nfs/dbraw/zinc/80/09/08/573800908.db2.gz BHGQEWXOETYWBS-ZVQZEWSASA-N 0 0 171.627 1.264 10 0 ADAERN Nc1n[nH]cc1-c1ccc(O)cc1F 258128840 573800920 /nfs/dbraw/zinc/80/09/20/573800920.db2.gz RJBMIOLBPICQMN-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN C[C@@H]1C(=O)CO[C@@H]1c1ccccc1 238514156 573800939 /nfs/dbraw/zinc/80/09/39/573800939.db2.gz JBUYPOJYMVZTPB-KCJUWKMLSA-N 0 0 176.215 1.963 10 0 ADAERN C[C@@H](O)[C@H]1Cc2c(O)cccc2N1C 258131318 573800960 /nfs/dbraw/zinc/80/09/60/573800960.db2.gz KFCPSABEPYJVMW-GMSGAONNSA-N 0 0 193.246 1.134 10 0 ADAERN OCCc1cc(F)c2c(c1)OCO2 258130996 573800966 /nfs/dbraw/zinc/80/09/66/573800966.db2.gz RLDZMNJUDYWFIQ-UHFFFAOYSA-N 0 0 184.166 1.089 10 0 ADAERN CC(=O)Nc1nncc2sccc12 238105298 573800970 /nfs/dbraw/zinc/80/09/70/573800970.db2.gz JONYDMONXBVYDT-UHFFFAOYSA-N 0 0 193.231 1.650 10 0 ADAERN CC(=O)[C@]12CC(C)(C)[C@@H]1C=CO2 238105123 573800971 /nfs/dbraw/zinc/80/09/71/573800971.db2.gz BUJAPQJRPWVSBI-WCBMZHEXSA-N 0 0 166.220 1.904 10 0 ADAERN CC(C)C1(CO)CCOCC1 87155556 573800983 /nfs/dbraw/zinc/80/09/83/573800983.db2.gz RLOAVLHNCAUUMT-UHFFFAOYSA-N 0 0 158.241 1.432 10 0 ADAERN CN(C)C(=S)Nc1cccc(O)c1 33842700 573800986 /nfs/dbraw/zinc/80/09/86/573800986.db2.gz UOBFDJSGMUWSSS-UHFFFAOYSA-N 0 0 196.275 1.651 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1[NH+]1CCCCCC1 259193870 573800989 /nfs/dbraw/zinc/80/09/89/573800989.db2.gz JTMYDCYXLIHDPO-IUCAKERBSA-N 0 0 183.251 1.336 10 0 ADAERN CC(=O)[C@]12CC=CC[C@@H]1CCC2=O 238105197 573800998 /nfs/dbraw/zinc/80/09/98/573800998.db2.gz IHENBURXLXBDSG-MWLCHTKSSA-N 0 0 178.231 1.891 10 0 ADAERN Cc1c(C(F)F)ncc(CO)c1N 238514698 573801020 /nfs/dbraw/zinc/80/10/20/573801020.db2.gz MGDNROXBRORXNE-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)(C)OC(=O)N1C=C[C@H](O)C1 238124837 573801033 /nfs/dbraw/zinc/80/10/33/573801033.db2.gz MBCGPMXBWVLHIG-ZETCQYMHSA-N 0 0 185.223 1.112 10 0 ADAERN Cc1ncccc1OCC(C)(C)O 87154761 573801037 /nfs/dbraw/zinc/80/10/37/573801037.db2.gz BXAFIHYDULNQTA-UHFFFAOYSA-N 0 0 181.235 1.540 10 0 ADAERN Cc1cc2coccc-2c1NN 238515453 573801045 /nfs/dbraw/zinc/80/10/45/573801045.db2.gz HPHJDMZURPVOQS-UHFFFAOYSA-N 0 0 162.192 1.978 10 0 ADAERN C[N@H+](C/C=C\C(=O)[O-])CC1CCC1 211951351 573801047 /nfs/dbraw/zinc/80/10/47/573801047.db2.gz DDBDSLROTOVUMQ-UTCJRWHESA-N 0 0 183.251 1.359 10 0 ADAERN CC(C)CC[C@H]1CNC(=O)CC1=O 238125473 573801048 /nfs/dbraw/zinc/80/10/48/573801048.db2.gz FGKHUQAOIISFBL-QMMMGPOBSA-N 0 0 183.251 1.128 10 0 ADAERN CCOc1cccc(NCCCO)c1 43444267 573801059 /nfs/dbraw/zinc/80/10/59/573801059.db2.gz UUHLEOCMPAPRBD-UHFFFAOYSA-N 0 0 195.262 1.880 10 0 ADAERN CC[C@H](C)[C@@H](CO)Nc1ncccn1 308747731 573801084 /nfs/dbraw/zinc/80/10/84/573801084.db2.gz SIOAZJMHQXYBJK-DTWKUNHWSA-N 0 0 195.266 1.296 10 0 ADAERN Cc1ccc(N)c(-n2cncn2)c1 87150459 573801095 /nfs/dbraw/zinc/80/10/95/573801095.db2.gz WEYGYTUYCXQQHX-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]1[NH+]1CCCCCC1 259193872 573801097 /nfs/dbraw/zinc/80/10/97/573801097.db2.gz JTMYDCYXLIHDPO-RKDXNWHRSA-N 0 0 183.251 1.336 10 0 ADAERN Cc1cccc([C@H]2CCC(=O)N2)c1 238515032 573801098 /nfs/dbraw/zinc/80/10/98/573801098.db2.gz NPICEIQTZMIGBP-SNVBAGLBSA-N 0 0 175.231 1.946 10 0 ADAERN NC1=NO[C@@H](C2CCCC2)C1 258428134 573801101 /nfs/dbraw/zinc/80/11/01/573801101.db2.gz CRQAIYKFDJPYBY-SSDOTTSWSA-N 0 0 154.213 1.238 10 0 ADAERN CC(=O)Nc1noc(-c2ccco2)n1 238127017 573801102 /nfs/dbraw/zinc/80/11/02/573801102.db2.gz WNWAVZFFTXTWOL-UHFFFAOYSA-N 0 0 193.162 1.288 10 0 ADAERN C[C@H]1SCCSCC1=O 238514854 573801107 /nfs/dbraw/zinc/80/11/07/573801107.db2.gz DIANDOZHGZAVHY-RXMQYKEDSA-N 0 0 162.279 1.424 10 0 ADAERN Cc1cc2cncc(O)c2o1 238515017 573801114 /nfs/dbraw/zinc/80/11/14/573801114.db2.gz ANZDSLPZQSKWKT-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN CC(C)(CO)[C@]1(O)Cc2ccccc21 238125100 573801116 /nfs/dbraw/zinc/80/11/16/573801116.db2.gz ORJWLNGJNVQJLW-LBPRGKRZSA-N 0 0 192.258 1.449 10 0 ADAERN COCN(C)c1ccc(C)o1 259191791 573801160 /nfs/dbraw/zinc/80/11/60/573801160.db2.gz VVZFHYLUGDFAIW-UHFFFAOYSA-N 0 0 155.197 1.628 10 0 ADAERN CC[C@H](CO)Nc1cc(C)ccc1N 87149651 573801168 /nfs/dbraw/zinc/80/11/68/573801168.db2.gz GBSLPRYREWXSBI-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN O=C([O-])/C=C\C[NH2+]C1CCCCCC1 308438707 573801177 /nfs/dbraw/zinc/80/11/77/573801177.db2.gz VTJAZLABEDUHTA-YVMONPNESA-N 0 0 197.278 1.940 10 0 ADAERN Cc1c(N)c(C)c(F)c(C)c1N 238514231 573801187 /nfs/dbraw/zinc/80/11/87/573801187.db2.gz ZIFKEQQYBHKBNF-UHFFFAOYSA-N 0 0 168.215 1.915 10 0 ADAERN C[C@H](C[NH2+]C/C=C\C(=O)[O-])C(C)(C)C 308438242 573801190 /nfs/dbraw/zinc/80/11/90/573801190.db2.gz UUMKNOKWAVGDBW-SSJHQANKSA-N 0 0 199.294 1.899 10 0 ADAERN Cc1cnc(C=O)c2occc12 238514852 573801193 /nfs/dbraw/zinc/80/11/93/573801193.db2.gz HUDDZPRQYXDIEB-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN COc1ccc([C@H](O)[C@@H](C)N=O)cc1 238352659 573801198 /nfs/dbraw/zinc/80/11/98/573801198.db2.gz GMHUNQCMRQOASX-GMSGAONNSA-N 0 0 195.218 1.884 10 0 ADAERN Cc1cnc(CO)c(C(F)F)c1F 238521262 573801220 /nfs/dbraw/zinc/80/12/20/573801220.db2.gz IGCVHWGMUITTIP-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN COCN(C)Cc1ccccc1F 258954887 573801223 /nfs/dbraw/zinc/80/12/23/573801223.db2.gz ACLHQQJDFIDJNQ-UHFFFAOYSA-N 0 0 183.226 1.861 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)C2)cc1N 238521303 573801256 /nfs/dbraw/zinc/80/12/56/573801256.db2.gz HOKZREHQAXPGQM-VIFPVBQESA-N 0 0 190.246 1.181 10 0 ADAERN C[C@@H](C[NH2+]C/C=C\C(=O)[O-])C(C)(C)C 308438244 573801258 /nfs/dbraw/zinc/80/12/58/573801258.db2.gz UUMKNOKWAVGDBW-UDIARPCQSA-N 0 0 199.294 1.899 10 0 ADAERN CC(C)c1ccc(CNCNN)cc1 258954957 573801274 /nfs/dbraw/zinc/80/12/74/573801274.db2.gz AEADRFYDFJLKSR-UHFFFAOYSA-N 0 0 193.294 1.320 10 0 ADAERN COC(=O)[C@H](C)Oc1cccnc1C 87153688 573801287 /nfs/dbraw/zinc/80/12/87/573801287.db2.gz DAVGIBHKKNOUKE-QMMMGPOBSA-N 0 0 195.218 1.330 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1n1cccn1 238514519 573801307 /nfs/dbraw/zinc/80/13/07/573801307.db2.gz XKKCMNOWUHDLKV-YUMQZZPRSA-N 0 0 164.208 1.423 10 0 ADAERN Nc1oncc1-c1cc(O)ccc1O 258128611 573801311 /nfs/dbraw/zinc/80/13/11/573801311.db2.gz REXWLTIASTYOMN-UHFFFAOYSA-N 0 0 192.174 1.335 10 0 ADAERN C[C@]12CCC[C@@H]1CC(=O)CC2=O 238514536 573801320 /nfs/dbraw/zinc/80/13/20/573801320.db2.gz YDQSMODUSIYQCC-XCBNKYQSSA-N 0 0 166.220 1.725 10 0 ADAERN O[C@H]1CCC[C@@H]1CNc1nncs1 84233597 573801341 /nfs/dbraw/zinc/80/13/41/573801341.db2.gz KDMNVOZWQYBHAD-RQJHMYQMSA-N 0 0 199.279 1.111 10 0 ADAERN C[C@@H]1C(=O)[C@@H]1c1ccccc1 238513907 573801349 /nfs/dbraw/zinc/80/13/49/573801349.db2.gz GQQVUEVRXRWUDL-CBAPKCEASA-N 0 0 146.189 1.989 10 0 ADAERN Cc1ccc2c(c1)N(C)CCC(=O)N2 87151364 573801353 /nfs/dbraw/zinc/80/13/53/573801353.db2.gz PFNUDGRHYHYAIR-UHFFFAOYSA-N 0 0 190.246 1.773 10 0 ADAERN C1CCC(NN2CCCC2)C1 81198447 573801365 /nfs/dbraw/zinc/80/13/65/573801365.db2.gz GERGEXXEGMLTCV-UHFFFAOYSA-N 0 0 154.257 1.529 10 0 ADAERN CON(C)c1cc(C)ccc1N 87149762 573801366 /nfs/dbraw/zinc/80/13/66/573801366.db2.gz XVDTZQJXWDZBCB-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN CN(CC(C)(C)C)C(=O)[C@H]1CCO1 308443408 573801367 /nfs/dbraw/zinc/80/13/67/573801367.db2.gz ZXRVIPAWUDLZJL-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN NOCc1ccc2c(Cl)n[nH]c2c1 258131394 573801369 /nfs/dbraw/zinc/80/13/69/573801369.db2.gz RNYHBOPOUADDCA-UHFFFAOYSA-N 0 0 197.625 1.607 10 0 ADAERN Cc1cnccc1-c1cnc(N)nc1 127239159 573801406 /nfs/dbraw/zinc/80/14/06/573801406.db2.gz PLYGODZNDVQGSQ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ncccc1OC1CC(O)C1 87155147 573801410 /nfs/dbraw/zinc/80/14/10/573801410.db2.gz CQRTYJGXUVXNDU-UHFFFAOYSA-N 0 0 179.219 1.292 10 0 ADAERN Cc1ccc(Cl)c(CON)c1O 258131320 573801441 /nfs/dbraw/zinc/80/14/41/573801441.db2.gz RNLOOHHZJBIRFS-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN CCc1cnc2n1CCC[C@@H]2O 258428060 573801446 /nfs/dbraw/zinc/80/14/46/573801446.db2.gz CPFIZQRGWJSLHX-QMMMGPOBSA-N 0 0 166.224 1.273 10 0 ADAERN CON(C(=O)N(C)C)C1CCCC1 308443483 573801452 /nfs/dbraw/zinc/80/14/52/573801452.db2.gz ABSAOOZUKBOAGG-UHFFFAOYSA-N 0 0 186.255 1.474 10 0 ADAERN Cn1cccc1-c1cccnc1N 238514505 573801464 /nfs/dbraw/zinc/80/14/64/573801464.db2.gz GJWRURYQCDTJNP-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN CNc1ccc(OCCCCO)cc1 43444799 573801486 /nfs/dbraw/zinc/80/14/86/573801486.db2.gz QGFSEAIUKUTVQV-UHFFFAOYSA-N 0 0 195.262 1.880 10 0 ADAERN COc1ccc(NCCCO)cc1F 43444155 573801548 /nfs/dbraw/zinc/80/15/48/573801548.db2.gz IDKKSLWGFYVGMP-UHFFFAOYSA-N 0 0 199.225 1.629 10 0 ADAERN CCc1cnc2n1CCC[C@H]2O 258428059 573801550 /nfs/dbraw/zinc/80/15/50/573801550.db2.gz CPFIZQRGWJSLHX-MRVPVSSYSA-N 0 0 166.224 1.273 10 0 ADAERN O=C1Cc2ccc(CCCO)cc2N1 258128889 573801558 /nfs/dbraw/zinc/80/15/58/573801558.db2.gz RJSKHAIRPLXZBY-UHFFFAOYSA-N 0 0 191.230 1.106 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nc(N)ns1 125139553 573801564 /nfs/dbraw/zinc/80/15/64/573801564.db2.gz JBRUYJWYUSJZQC-RFZPGFLSSA-N 0 0 185.252 1.218 10 0 ADAERN Cc1ccc(N)c(NCC[C@H](C)O)c1 87150329 573801582 /nfs/dbraw/zinc/80/15/82/573801582.db2.gz BOMOZDSFWSIUGL-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN Cc1coc([C@H](N)c2nccn2C)c1 716190701 573801595 /nfs/dbraw/zinc/80/15/95/573801595.db2.gz SGJPWJWCVZRVIL-VIFPVBQESA-N 0 0 191.234 1.370 10 0 ADAERN C[C@H](O)c1ccc2[nH]cnc2c1 76208275 573801598 /nfs/dbraw/zinc/80/15/98/573801598.db2.gz BXLZPOPEIBXLDT-LURJTMIESA-N 0 0 162.192 1.616 10 0 ADAERN Cc1cnc(C=O)c2ccoc12 238514773 573801600 /nfs/dbraw/zinc/80/16/00/573801600.db2.gz OQRIJFBWNCQDJN-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN Cc1ncccc1O[C@@H](C)[C@H](C)O 87154767 573802827 /nfs/dbraw/zinc/80/28/27/573802827.db2.gz GVWQKFUHDHSCKP-IUCAKERBSA-N 0 0 181.235 1.538 10 0 ADAERN CC(C)C[C@@H](NN)[C@@H](C)C1CC1 127253437 573802840 /nfs/dbraw/zinc/80/28/40/573802840.db2.gz FQZXBBMALAGNFR-WCBMZHEXSA-N 0 0 170.300 1.911 10 0 ADAERN CC(=O)N[C@@H]1CCCC[C@H]2C[C@@H]21 238128728 573802841 /nfs/dbraw/zinc/80/28/41/573802841.db2.gz QFOCSEYTACDVES-LPEHRKFASA-N 0 0 167.252 1.701 10 0 ADAERN CC(=O)[C@]1(C)C[C@H](C)N=N1 238513952 573802070 /nfs/dbraw/zinc/80/20/70/573802070.db2.gz ABEQRBNVZIAMRK-FSPLSTOPSA-N 0 0 140.186 1.579 10 0 ADAERN COC1(OC)CCCC[C@H]1F 38258412 573802077 /nfs/dbraw/zinc/80/20/77/573802077.db2.gz CTRZZHUMDNBANC-SSDOTTSWSA-N 0 0 162.204 1.888 10 0 ADAERN Cc1ccc(-c2cc(N)n[nH]2)cc1O 258133823 573802085 /nfs/dbraw/zinc/80/20/85/573802085.db2.gz RUPBPBVFMIJBRK-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN C=Cc1ccnc(C[NH3+])c1C 209742690 573802866 /nfs/dbraw/zinc/80/28/66/573802866.db2.gz QTXMREAXSOQOED-UHFFFAOYSA-N 0 0 148.209 1.492 10 0 ADAERN Cc1nccc([C@H](N)c2ccoc2)n1 125140623 573802101 /nfs/dbraw/zinc/80/21/01/573802101.db2.gz HAVDKYIZOBKJCE-SNVBAGLBSA-N 0 0 189.218 1.426 10 0 ADAERN Cc1ncccc1O[C@@H](C)[C@@H](C)O 87154763 573802127 /nfs/dbraw/zinc/80/21/27/573802127.db2.gz GVWQKFUHDHSCKP-BDAKNGLRSA-N 0 0 181.235 1.538 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2CC=C[C@H]21 238514756 573802142 /nfs/dbraw/zinc/80/21/42/573802142.db2.gz ONSIJYPXAVDYQU-FXQIFTODSA-N 0 0 136.194 1.788 10 0 ADAERN C[C@@]12CC=CNC(=O)[C@H]1CCC2 238514422 573802151 /nfs/dbraw/zinc/80/21/51/573802151.db2.gz PNYXEDXJWZHFNJ-PSASIEDQSA-N 0 0 165.236 1.826 10 0 ADAERN CC(=O)c1nc(N)oc1CC(C)C 258952802 573802192 /nfs/dbraw/zinc/80/21/92/573802192.db2.gz ZCNLKTUHGAFKGB-UHFFFAOYSA-N 0 0 182.223 1.658 10 0 ADAERN COc1ccc(CON)c(C)c1OC 258133705 573802218 /nfs/dbraw/zinc/80/22/18/573802218.db2.gz RSIXGAZIIFVLEN-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN CC[C@@H](CO)Nc1cc(C)ccc1N 87149649 573802220 /nfs/dbraw/zinc/80/22/20/573802220.db2.gz GBSLPRYREWXSBI-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CC(=O)Cc1ccc(C)c(F)c1O 258133701 573802225 /nfs/dbraw/zinc/80/22/25/573802225.db2.gz RSBKNBYVHKGVBS-UHFFFAOYSA-N 0 0 182.194 1.971 10 0 ADAERN CCC/C=C\C1OCCO1 221941153 573802229 /nfs/dbraw/zinc/80/22/29/573802229.db2.gz HGPHKSDKXYRGNO-PLNGDYQASA-N 0 0 142.198 1.716 10 0 ADAERN CC(C)=C1CCC2=C1CNN2 238120824 573802258 /nfs/dbraw/zinc/80/22/58/573802258.db2.gz RQOCNXLLEMKDEF-UHFFFAOYSA-N 0 0 150.225 1.479 10 0 ADAERN C[C@H]1CCO[C@H]1c1nc(N)ns1 125139750 573802269 /nfs/dbraw/zinc/80/22/69/573802269.db2.gz JBRUYJWYUSJZQC-CRCLSJGQSA-N 0 0 185.252 1.218 10 0 ADAERN C=Cc1ccnc(CO)c1C 209742734 573802273 /nfs/dbraw/zinc/80/22/73/573802273.db2.gz KTVAMQQNGGHIDI-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN CC(C)CNC(=O)c1ccc(F)[nH]1 238128549 573802324 /nfs/dbraw/zinc/80/23/24/573802324.db2.gz RXDAYESSHSMVFT-UHFFFAOYSA-N 0 0 184.214 1.540 10 0 ADAERN OCCC1(c2ccccc2F)COC1 258952815 573802350 /nfs/dbraw/zinc/80/23/50/573802350.db2.gz ZCXZOLAPARLHGQ-UHFFFAOYSA-N 0 0 196.221 1.476 10 0 ADAERN C=Cc1cc[nH]c(=O)c1C 209742878 573802356 /nfs/dbraw/zinc/80/23/56/573802356.db2.gz ODYJEQYBUBSLMK-UHFFFAOYSA-N 0 0 135.166 1.326 10 0 ADAERN Cc1ccc(N)c(NC[C@@H](C)CO)c1 87150339 573802374 /nfs/dbraw/zinc/80/23/74/573802374.db2.gz XQWWWMWFKLZSGW-SECBINFHSA-N 0 0 194.278 1.618 10 0 ADAERN C[C@@H](O)Cc1nn(C)c2ccccc12 84242946 573802380 /nfs/dbraw/zinc/80/23/80/573802380.db2.gz GXVAZBAPSXUCKA-MRVPVSSYSA-N 0 0 190.246 1.497 10 0 ADAERN COCCCc1ncc(C=O)o1 258135590 573802407 /nfs/dbraw/zinc/80/24/07/573802407.db2.gz PNTDSXUDARMFFR-UHFFFAOYSA-N 0 0 169.180 1.066 10 0 ADAERN CC1C[C@@H](C)C(C(N)=O)[C@H](C)C1 224690619 573802416 /nfs/dbraw/zinc/80/24/16/573802416.db2.gz ZFOMYTUZGPWTRX-OMRMXDSLSA-N 0 0 169.268 1.790 10 0 ADAERN NOC[C@@H]1COc2cccc(F)c21 258133125 573802445 /nfs/dbraw/zinc/80/24/45/573802445.db2.gz PYQIOEPTJNFUCT-LURJTMIESA-N 0 0 183.182 1.192 10 0 ADAERN COC(=O)Cc1cn(C)c(C)c1C 259570808 573802472 /nfs/dbraw/zinc/80/24/72/573802472.db2.gz JGELRLOHMMQFRH-UHFFFAOYSA-N 0 0 181.235 1.357 10 0 ADAERN CCc1nc(N)oc1-c1ccc[nH]1 259194895 573802485 /nfs/dbraw/zinc/80/24/85/573802485.db2.gz PXLHGKSYENUGOH-UHFFFAOYSA-N 0 0 177.207 1.814 10 0 ADAERN Cc1ccc(N)c(NC[C@@H](C)O)c1 87149654 573802489 /nfs/dbraw/zinc/80/24/89/573802489.db2.gz VROBYKNYULUCBE-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ncccc1O[C@H]1CCC[C@@H]1O 87154754 573802503 /nfs/dbraw/zinc/80/25/03/573802503.db2.gz VEEBOEKBYQVGDQ-ONGXEEELSA-N 0 0 193.246 1.682 10 0 ADAERN C=Cc1cc[nH+]c(N)c1C 209742829 573802547 /nfs/dbraw/zinc/80/25/47/573802547.db2.gz BBKPKSSTRAGLSY-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN CCC[C@@H](O)/C=C/C=C\C(=O)OCC 308438860 573802549 /nfs/dbraw/zinc/80/25/49/573802549.db2.gz AMMBVDHZVVWUTL-CKXGXOKKSA-N 0 0 198.262 1.823 10 0 ADAERN C/C=C\C(=O)N[C@H](C)c1ncc(C)o1 308437560 573802561 /nfs/dbraw/zinc/80/25/61/573802561.db2.gz ADCNOLITSSLFOL-PULIVWKDSA-N 0 0 194.234 1.736 10 0 ADAERN C[C@@]1(C[NH3+])Oc2ccc(F)cc2O1 258132643 573802571 /nfs/dbraw/zinc/80/25/71/573802571.db2.gz KMBCXCOZQIWEFI-SECBINFHSA-N 0 0 183.182 1.272 10 0 ADAERN CCC(CC)NOC 87157200 573802573 /nfs/dbraw/zinc/80/25/73/573802573.db2.gz WMZRQGUPBGMACF-UHFFFAOYSA-N 0 0 117.192 1.326 10 0 ADAERN CCN1CC(=O)Nc2ccc(C)cc21 87151332 573802580 /nfs/dbraw/zinc/80/25/80/573802580.db2.gz WIUHQECHALWTIU-UHFFFAOYSA-N 0 0 190.246 1.773 10 0 ADAERN CCc1ccc([C@@H](NN)N(C)C)cc1 259193200 573802599 /nfs/dbraw/zinc/80/25/99/573802599.db2.gz NZSLGPYLHNSQHI-NSHDSACASA-N 0 0 193.294 1.273 10 0 ADAERN NOCCc1cc2[nH]ccc2cc1F 258133634 573802605 /nfs/dbraw/zinc/80/26/05/573802605.db2.gz RPZSSHHARLPSCU-UHFFFAOYSA-N 0 0 194.209 1.740 10 0 ADAERN Nc1cnnc(C[C@H]2CCCCO2)c1 259571242 573802628 /nfs/dbraw/zinc/80/26/28/573802628.db2.gz XJZKRQKXPBDGQV-SNVBAGLBSA-N 0 0 193.250 1.170 10 0 ADAERN OCCC1(C2CCCC2)COC1 258952771 573802629 /nfs/dbraw/zinc/80/26/29/573802629.db2.gz ZBVOMEDFWOZNSM-UHFFFAOYSA-N 0 0 170.252 1.576 10 0 ADAERN CN(CC(C)(C)C)C(=O)[C@@H]1CCO1 308443409 573802630 /nfs/dbraw/zinc/80/26/30/573802630.db2.gz ZXRVIPAWUDLZJL-QMMMGPOBSA-N 0 0 185.267 1.280 10 0 ADAERN CCCn1cc(/C=C\[C@@H](C)O)cn1 393563350 573802639 /nfs/dbraw/zinc/80/26/39/573802639.db2.gz KGGMTADWRIMNBJ-XRVBUDJMSA-N 0 0 180.251 1.687 10 0 ADAERN O[C@H]1CCC[C@H]1CNc1nccs1 84233866 573802652 /nfs/dbraw/zinc/80/26/52/573802652.db2.gz QELVROFESQORKQ-YUMQZZPRSA-N 0 0 198.291 1.716 10 0 ADAERN OC[C@]12CC=CC[C@]1(O)CCC2 224691159 573802659 /nfs/dbraw/zinc/80/26/59/573802659.db2.gz NPVJCKRKUCMVIJ-ZJUUUORDSA-N 0 0 168.236 1.230 10 0 ADAERN Cc1ccc(N)c(NC(C)(C)CO)c1 87149652 573802664 /nfs/dbraw/zinc/80/26/64/573802664.db2.gz VBHPBYBSLUZYQT-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN C[C@H](O)c1nc(Cc2ccco2)no1 258133152 573802672 /nfs/dbraw/zinc/80/26/72/573802672.db2.gz UUYRHMUDLPAJEM-LURJTMIESA-N 0 0 194.190 1.307 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+][C@@H](C)CC1CC1 308443306 573802714 /nfs/dbraw/zinc/80/27/14/573802714.db2.gz LDNRRTMHDKHGPD-RDOCRHDPSA-N 0 0 197.278 1.796 10 0 ADAERN CC1CC(=O)C(C(C)C)C(=O)C1 100407409 573802739 /nfs/dbraw/zinc/80/27/39/573802739.db2.gz ZZQRHXWLKHSPRK-UHFFFAOYSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ccc(N)c(NCCCO)c1 87149565 573802784 /nfs/dbraw/zinc/80/27/84/573802784.db2.gz XSEIFYFNWNMLJR-UHFFFAOYSA-N 0 0 180.251 1.372 10 0 ADAERN Cn1nc(CC(C)(C)C)cc1C=O 259194832 573802786 /nfs/dbraw/zinc/80/27/86/573802786.db2.gz KIYFYCWLTDQGAF-UHFFFAOYSA-N 0 0 180.251 1.821 10 0 ADAERN O=C1CCCC[C@H]2C[C@@H]12 84239306 573802800 /nfs/dbraw/zinc/80/28/00/573802800.db2.gz AKDQJROTPGHKES-NKWVEPMBSA-N 0 0 124.183 1.766 10 0 ADAERN Cc1ccc(NCO)c(C)c1C 258953754 573802806 /nfs/dbraw/zinc/80/28/06/573802806.db2.gz RXVKHJLSCIEOIN-UHFFFAOYSA-N 0 0 165.236 1.974 10 0 ADAERN CN1C=CN(CO)N1C1CCCCC1 238515602 573802921 /nfs/dbraw/zinc/80/29/21/573802921.db2.gz QMXGKZGCVVYORG-UHFFFAOYSA-N 0 0 197.282 1.120 10 0 ADAERN Cc1nn(C)cc1OC1CC1 238516740 573802927 /nfs/dbraw/zinc/80/29/27/573802927.db2.gz VDZQFMBVYFVCRY-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN OCCc1ccc2[nH]nc(Cl)c2c1 258133712 573802929 /nfs/dbraw/zinc/80/29/29/573802929.db2.gz RSPSMCFGRVZBSE-UHFFFAOYSA-N 0 0 196.637 1.751 10 0 ADAERN OCCCC1(c2cccnc2)COC1 258952776 573802932 /nfs/dbraw/zinc/80/29/32/573802932.db2.gz ZBZIWNRYFLIHFW-UHFFFAOYSA-N 0 0 193.246 1.122 10 0 ADAERN CC(=O)[C@@H](C)Cc1cc(C)nn1C 84245493 573803791 /nfs/dbraw/zinc/80/37/91/573803791.db2.gz XNKLROUPGQXEPC-ZETCQYMHSA-N 0 0 180.251 1.496 10 0 ADAERN Cc1cc(C2(O)CC2)cc(O)c1F 258133622 573802944 /nfs/dbraw/zinc/80/29/44/573802944.db2.gz RPHVFOWKHSJWQN-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN O=C1[C@H]2CC[C@H]2C1(Cl)Cl 238516051 573802945 /nfs/dbraw/zinc/80/29/45/573802945.db2.gz GIKGYTSKYZXSOL-IUYQGCFVSA-N 0 0 165.019 1.769 10 0 ADAERN C[C@H]1CC([C@@H]2CCCOC2)N=NC1=N 84240100 573802955 /nfs/dbraw/zinc/80/29/55/573802955.db2.gz ZFRTYICROXDCKV-JGVFFNPUSA-N 0 0 195.266 1.166 10 0 ADAERN CCS(=O)(=O)c1cc(C)ccc1N 87150563 573802956 /nfs/dbraw/zinc/80/29/56/573802956.db2.gz KDSHWARGXWNBFF-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN CCc1cc(CON)c(O)c(OC)c1 258133679 573802958 /nfs/dbraw/zinc/80/29/58/573802958.db2.gz RRGROXXDYBEYFP-UHFFFAOYSA-N 0 0 197.234 1.354 10 0 ADAERN CC(=O)C(=O)NCCC1CCCCC1 258953049 573802980 /nfs/dbraw/zinc/80/29/80/573802980.db2.gz NGFODFJWKQWBQA-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN CC(=O)[C@H](C)Cc1cc(C)nn1C 84245491 573802991 /nfs/dbraw/zinc/80/29/91/573802991.db2.gz XNKLROUPGQXEPC-SSDOTTSWSA-N 0 0 180.251 1.496 10 0 ADAERN CC(C)(O)c1ccc(CCO)cc1 259571140 573803005 /nfs/dbraw/zinc/80/30/05/573803005.db2.gz XHNLNLLAHCLCOF-UHFFFAOYSA-N 0 0 180.247 1.449 10 0 ADAERN COc1ccc(OCCCO)c(N)c1 43443859 573803019 /nfs/dbraw/zinc/80/30/19/573803019.db2.gz CRLXKIFCXMNJNM-UHFFFAOYSA-N 0 0 197.234 1.039 10 0 ADAERN Nc1cccc(OCCCCO)c1 43444797 573803800 /nfs/dbraw/zinc/80/38/00/573803800.db2.gz GNKTXZMIXIRDDO-UHFFFAOYSA-N 0 0 181.235 1.420 10 0 ADAERN O[C@@H]1CCC[C@H]1CNc1nncs1 84233600 573803029 /nfs/dbraw/zinc/80/30/29/573803029.db2.gz KDMNVOZWQYBHAD-NKWVEPMBSA-N 0 0 199.279 1.111 10 0 ADAERN C=Cc1c(N)[nH+]cc(N)c1C 209741919 573803052 /nfs/dbraw/zinc/80/30/52/573803052.db2.gz QCQLREWBXRPKNJ-UHFFFAOYSA-N 0 0 149.197 1.197 10 0 ADAERN CCO[C@@H](C)CNc1nccc(C)n1 127252370 573803065 /nfs/dbraw/zinc/80/30/65/573803065.db2.gz TUUSAFHEZYXTKC-VIFPVBQESA-N 0 0 195.266 1.622 10 0 ADAERN C[C@H]1CC(c2ccncc2)=NNC1=N 84240119 573803126 /nfs/dbraw/zinc/80/31/26/573803126.db2.gz SACDTVWRFLIERQ-ZETCQYMHSA-N 0 0 188.234 1.183 10 0 ADAERN Cc1ccc2c(c1)N(C)[C@@H](C)C(=O)N2 87151233 573803144 /nfs/dbraw/zinc/80/31/44/573803144.db2.gz SSGSPHZNYMSMID-QMMMGPOBSA-N 0 0 190.246 1.772 10 0 ADAERN CCC(CC)[NH2+]C1(C(=O)[O-])CC1 87156618 573803150 /nfs/dbraw/zinc/80/31/50/573803150.db2.gz PQNYGZUXUACCMD-UHFFFAOYSA-N 0 0 171.240 1.382 10 0 ADAERN O[C@H]1CCC[C@@H]1CNc1nccs1 84233869 573803163 /nfs/dbraw/zinc/80/31/63/573803163.db2.gz QELVROFESQORKQ-SFYZADRCSA-N 0 0 198.291 1.716 10 0 ADAERN CC(C)C[C@@H](NN)[C@H](C)C1CC1 127253882 573803171 /nfs/dbraw/zinc/80/31/71/573803171.db2.gz FQZXBBMALAGNFR-PSASIEDQSA-N 0 0 170.300 1.911 10 0 ADAERN COc1c(CCO)ccc(F)c1C 258133641 573803172 /nfs/dbraw/zinc/80/31/72/573803172.db2.gz RQDOGBQJLRAXDG-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN Cc1ccc(N)c(NC[C@H](C)O)c1 87149655 573803184 /nfs/dbraw/zinc/80/31/84/573803184.db2.gz VROBYKNYULUCBE-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN COc1cccc(OC)c1CCON 258133662 573803194 /nfs/dbraw/zinc/80/31/94/573803194.db2.gz RQZGPNSPSRPTAT-UHFFFAOYSA-N 0 0 197.234 1.137 10 0 ADAERN CONCc1ccc(C)c(O)c1OC 258133789 573803204 /nfs/dbraw/zinc/80/32/04/573803204.db2.gz RUBADPCWJFNGLY-UHFFFAOYSA-N 0 0 197.234 1.360 10 0 ADAERN CCCn1cc(/C=C\[C@H](C)O)cn1 393563349 573803213 /nfs/dbraw/zinc/80/32/13/573803213.db2.gz KGGMTADWRIMNBJ-WBSSQXGSSA-N 0 0 180.251 1.687 10 0 ADAERN COc1cc(F)ccc1NCCCO 43444269 573803215 /nfs/dbraw/zinc/80/32/15/573803215.db2.gz PSNYJKSQBYOOTK-UHFFFAOYSA-N 0 0 199.225 1.629 10 0 ADAERN CCc1cc(C[C@H](C)C(C)=O)n(C)n1 84245481 573803237 /nfs/dbraw/zinc/80/32/37/573803237.db2.gz HHLOWVLDBOQDIH-QMMMGPOBSA-N 0 0 194.278 1.750 10 0 ADAERN O[C@@H]1CCC[C@H]1CNc1nccs1 84233874 573803297 /nfs/dbraw/zinc/80/32/97/573803297.db2.gz QELVROFESQORKQ-JGVFFNPUSA-N 0 0 198.291 1.716 10 0 ADAERN OC1(c2ccccc2C2COC2)CC1 258133728 573803300 /nfs/dbraw/zinc/80/33/00/573803300.db2.gz RSYLYDHICQRAAF-UHFFFAOYSA-N 0 0 190.242 1.782 10 0 ADAERN OC1([C@H]2CCCCO2)CCC1 258135776 573803304 /nfs/dbraw/zinc/80/33/04/573803304.db2.gz VDIZRGMDWYQXDH-MRVPVSSYSA-N 0 0 156.225 1.471 10 0 ADAERN COc1ccc(C(C)(C)CO)c(O)c1 258133827 573803311 /nfs/dbraw/zinc/80/33/11/573803311.db2.gz RUPUXLSOHMWWPO-UHFFFAOYSA-N 0 0 196.246 1.671 10 0 ADAERN Cc1c(O)cccc1OCCCO 43444463 573803337 /nfs/dbraw/zinc/80/33/37/573803337.db2.gz QFGCSSPLGZRRJH-UHFFFAOYSA-N 0 0 182.219 1.462 10 0 ADAERN C=Cc1c(C)c(Cl)c[nH]c1=O 209742061 573803342 /nfs/dbraw/zinc/80/33/42/573803342.db2.gz YAIDXPJZGLDDBX-UHFFFAOYSA-N 0 0 169.611 1.980 10 0 ADAERN Cc1ccc(N)c(N(C)C[C@@H](C)O)c1 87150078 573803365 /nfs/dbraw/zinc/80/33/65/573803365.db2.gz ICQQSCZVPVJHRC-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN C[C@@H](CCCC(=O)[O-])[N@@H+]1CC[C@H]1C 122723429 573803383 /nfs/dbraw/zinc/80/33/83/573803383.db2.gz FPMVHONBNLYJGA-DTWKUNHWSA-N 0 0 185.267 1.724 10 0 ADAERN Cc1noc(C)c1OC1CC1 238528269 573803386 /nfs/dbraw/zinc/80/33/86/573803386.db2.gz PCIGDALLNQIIAY-UHFFFAOYSA-N 0 0 153.181 1.833 10 0 ADAERN Cc1ccc(N)cc1OCCCO 43443870 573803387 /nfs/dbraw/zinc/80/33/87/573803387.db2.gz WZZVPIJBGFZSMH-UHFFFAOYSA-N 0 0 181.235 1.338 10 0 ADAERN Cc1ccc(CON)c(Cl)c1O 258133699 573803390 /nfs/dbraw/zinc/80/33/90/573803390.db2.gz RRYUIPZYJBQBTE-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN CC(C)C[C@H](NN)[C@H](C)C1CC1 127253652 573803400 /nfs/dbraw/zinc/80/34/00/573803400.db2.gz FQZXBBMALAGNFR-SCZZXKLOSA-N 0 0 170.300 1.911 10 0 ADAERN C[C@@H](O)c1cnc(Cc2ccco2)o1 258133098 573803412 /nfs/dbraw/zinc/80/34/12/573803412.db2.gz PHVJGUUKHYCRML-SSDOTTSWSA-N 0 0 193.202 1.912 10 0 ADAERN O=C1N=C2c3ncccc3CC2S1 716192665 573803421 /nfs/dbraw/zinc/80/34/21/573803421.db2.gz HIYAERGQNMTAQS-UHFFFAOYSA-N 0 0 190.227 1.815 10 0 ADAERN CC(=O)N[C@@H]1CO[C@H]1c1ccccc1 238120739 573803431 /nfs/dbraw/zinc/80/34/31/573803431.db2.gz UBXZDXOBVPXQAK-MNOVXSKESA-N 0 0 191.230 1.263 10 0 ADAERN Cc1ncccc1O[C@H](C)[C@H](C)O 87154769 573803443 /nfs/dbraw/zinc/80/34/43/573803443.db2.gz GVWQKFUHDHSCKP-DTWKUNHWSA-N 0 0 181.235 1.538 10 0 ADAERN NCc1nnc([C@@H]2CCCSC2)o1 258134164 573803450 /nfs/dbraw/zinc/80/34/50/573803450.db2.gz QMTLRFNHUYTJNM-ZCFIWIBFSA-N 0 0 199.279 1.139 10 0 ADAERN Cc1ccc2c(c1)N(C)[C@H](C)C(=O)N2 87151232 573803455 /nfs/dbraw/zinc/80/34/55/573803455.db2.gz SSGSPHZNYMSMID-MRVPVSSYSA-N 0 0 190.246 1.772 10 0 ADAERN Cn1ccc([C@H]2CCCC2=O)c1 238516704 573803470 /nfs/dbraw/zinc/80/34/70/573803470.db2.gz GXUKRNPQGHHDGJ-SECBINFHSA-N 0 0 163.220 1.862 10 0 ADAERN C=Cc1cc(N)c(N)[nH+]c1C 209742305 573803473 /nfs/dbraw/zinc/80/34/73/573803473.db2.gz QDPJTCQHVZGGRA-UHFFFAOYSA-N 0 0 149.197 1.197 10 0 ADAERN C[C@@H]1CC([C@H]2CCCOC2)N=NC1=N 84240102 573803487 /nfs/dbraw/zinc/80/34/87/573803487.db2.gz ZFRTYICROXDCKV-SFYZADRCSA-N 0 0 195.266 1.166 10 0 ADAERN Cc1ccc2c(c1)NC[C@H](C)C(=O)N2 87151235 573803494 /nfs/dbraw/zinc/80/34/94/573803494.db2.gz HRMHXUVUCHKKJW-QMMMGPOBSA-N 0 0 190.246 1.995 10 0 ADAERN O=Cc1nc(Cl)c2[nH]ccc2n1 238515818 573803496 /nfs/dbraw/zinc/80/34/96/573803496.db2.gz ODRQGOVMHWCORP-UHFFFAOYSA-N 0 0 181.582 1.424 10 0 ADAERN COC(=O)CNc1cc(C)ccc1N 87149495 573803499 /nfs/dbraw/zinc/80/34/99/573803499.db2.gz CNUDPCNSAPCLHB-UHFFFAOYSA-N 0 0 194.234 1.162 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1[NH+]1CCCCCC1 259193867 573803502 /nfs/dbraw/zinc/80/35/02/573803502.db2.gz JTMYDCYXLIHDPO-DTWKUNHWSA-N 0 0 183.251 1.336 10 0 ADAERN CC(C)CC[C@@H](C)N1CNCC1=O 127251037 573803515 /nfs/dbraw/zinc/80/35/15/573803515.db2.gz YTIQVQLWKVLBHO-SECBINFHSA-N 0 0 184.283 1.200 10 0 ADAERN Cc1cc(C(F)F)nc(CO)c1N 238516781 573803522 /nfs/dbraw/zinc/80/35/22/573803522.db2.gz ZTGIEKRFOQIDNR-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Nc1ccccc1C[C@@H]1CCOC1 257878811 573803557 /nfs/dbraw/zinc/80/35/57/573803557.db2.gz LPZUJJQNDNGLIL-VIFPVBQESA-N 0 0 177.247 1.848 10 0 ADAERN CN(CO)c1cn(C)c2ccccc12 258953594 573803563 /nfs/dbraw/zinc/80/35/63/573803563.db2.gz RTEAGMHGFOWMHK-UHFFFAOYSA-N 0 0 190.246 1.564 10 0 ADAERN CCOC(=O)[C@@]1(CO)[C@H]2CCCC[C@H]21 308439554 573803566 /nfs/dbraw/zinc/80/35/66/573803566.db2.gz BYMTWBXUEGZNLZ-DOFRTFSJSA-N 0 0 198.262 1.348 10 0 ADAERN Cc1nc(Cl)c2n1C[C@@H](O)CC2 258135067 573803569 /nfs/dbraw/zinc/80/35/69/573803569.db2.gz GOVUAMKLTAIOMD-LURJTMIESA-N 0 0 186.642 1.152 10 0 ADAERN C/C=C\COC(=O)[C@H](CC)N(C)C 308439725 573803577 /nfs/dbraw/zinc/80/35/77/573803577.db2.gz YLQRPWCLWGDSPU-PGBBXKAQSA-N 0 0 185.267 1.446 10 0 ADAERN Nc1ccccc1OCCCCO 43444798 573803604 /nfs/dbraw/zinc/80/36/04/573803604.db2.gz JPIVNZKNEKRBCC-UHFFFAOYSA-N 0 0 181.235 1.420 10 0 ADAERN CC(=O)CNc1ccc(C)o1 258953656 573803609 /nfs/dbraw/zinc/80/36/09/573803609.db2.gz RVIXDJGSVQMECR-UHFFFAOYSA-N 0 0 153.181 1.589 10 0 ADAERN Cc1ccc(N)cc1OCCCCO 43444947 573803613 /nfs/dbraw/zinc/80/36/13/573803613.db2.gz HENUMYLIWKFYSH-UHFFFAOYSA-N 0 0 195.262 1.729 10 0 ADAERN CC(C)C[C@H](NN)[C@@H](C)C1CC1 127253218 573803623 /nfs/dbraw/zinc/80/36/23/573803623.db2.gz FQZXBBMALAGNFR-WPRPVWTQSA-N 0 0 170.300 1.911 10 0 ADAERN O=Cc1nc(-c2ccc(Cl)o2)no1 258135693 573803628 /nfs/dbraw/zinc/80/36/28/573803628.db2.gz UZOGBHSYDCRIGK-UHFFFAOYSA-N 0 0 198.565 1.796 10 0 ADAERN Cc1cc(F)c(C(=O)[O-])cc1C[NH3+] 258133774 573803635 /nfs/dbraw/zinc/80/36/35/573803635.db2.gz RTVLXWZLKGJXII-UHFFFAOYSA-N 0 0 183.182 1.291 10 0 ADAERN Cc1c(N)c(O)cc2c1C(=O)CC2 238515719 573803647 /nfs/dbraw/zinc/80/36/47/573803647.db2.gz KPPVXJXGBOLUHJ-UHFFFAOYSA-N 0 0 177.203 1.412 10 0 ADAERN CC(C)N1Cc2c(nn(C)c2N)[C@H]1C 107235705 573803653 /nfs/dbraw/zinc/80/36/53/573803653.db2.gz HFJGCNDGHVUMNH-SSDOTTSWSA-N 0 0 194.282 1.287 10 0 ADAERN COCc1ccc(CCON)cc1F 258131922 573803662 /nfs/dbraw/zinc/80/36/62/573803662.db2.gz NEHAGCHNBVWDSO-UHFFFAOYSA-N 0 0 199.225 1.405 10 0 ADAERN CONCc1cc(OC)ccc1F 258133643 573803667 /nfs/dbraw/zinc/80/36/67/573803667.db2.gz RQDWVCNGVNPWGQ-UHFFFAOYSA-N 0 0 185.198 1.485 10 0 ADAERN O[C@H]1CCC[C@H]1CNc1nncs1 84233587 573803675 /nfs/dbraw/zinc/80/36/75/573803675.db2.gz KDMNVOZWQYBHAD-BQBZGAKWSA-N 0 0 199.279 1.111 10 0 ADAERN Cc1c[nH]c(O)c2c(=O)cccc1-2 258135507 573803677 /nfs/dbraw/zinc/80/36/77/573803677.db2.gz KPZWVEZECZISSM-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN COc1cc(O)cc(C)c1CCO 258133734 573803694 /nfs/dbraw/zinc/80/36/94/573803694.db2.gz RSZQHSLGERIJHU-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN CC(=O)[C@]1(Br)C[C@@H]1C 238515780 573803696 /nfs/dbraw/zinc/80/36/96/573803696.db2.gz PJIPBDUUBURDEO-NJGYIYPDSA-N 0 0 177.041 1.749 10 0 ADAERN CC(C)CC[C@H](C)N1CNCC1=O 127251270 573803700 /nfs/dbraw/zinc/80/37/00/573803700.db2.gz YTIQVQLWKVLBHO-VIFPVBQESA-N 0 0 184.283 1.200 10 0 ADAERN CC(C)[NH2+][C@@H](C)CCCC(=O)[O-] 122714217 573803705 /nfs/dbraw/zinc/80/37/05/573803705.db2.gz UYZZRUSYVNIHDR-QMMMGPOBSA-N 0 0 173.256 1.628 10 0 ADAERN Cc1cc[nH]c1[C@@H](N)C(F)(F)F 238528158 573803709 /nfs/dbraw/zinc/80/37/09/573803709.db2.gz QFMICVBCKAUOGY-ZCFIWIBFSA-N 0 0 178.157 1.885 10 0 ADAERN Cc1cc(CO)c2cccnc2c1O 238528108 573803718 /nfs/dbraw/zinc/80/37/18/573803718.db2.gz MMTJAQFINNLGOV-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN OC[C@@]12CC=CC[C@]1(O)CCCC2 224691310 573803743 /nfs/dbraw/zinc/80/37/43/573803743.db2.gz GEHCRTISGRNRNP-QWRGUYRKSA-N 0 0 182.263 1.620 10 0 ADAERN Cc1ncccc1O[C@H](C)[C@@H](C)O 87154765 573803751 /nfs/dbraw/zinc/80/37/51/573803751.db2.gz GVWQKFUHDHSCKP-RKDXNWHRSA-N 0 0 181.235 1.538 10 0 ADAERN Cc1ncccc1OC1CC(=O)C1 87155125 573803758 /nfs/dbraw/zinc/80/37/58/573803758.db2.gz QFNJECUUIXASIL-UHFFFAOYSA-N 0 0 177.203 1.500 10 0 ADAERN Nc1ncccc1NC1CCOCC1 122718134 573803762 /nfs/dbraw/zinc/80/37/62/573803762.db2.gz SQHZQPCJNGVIPP-UHFFFAOYSA-N 0 0 193.250 1.255 10 0 ADAERN CCN(OC)C(=O)CCC(F)(F)F 308443518 573803764 /nfs/dbraw/zinc/80/37/64/573803764.db2.gz AEEWKNHJKUMRBC-UHFFFAOYSA-N 0 0 199.172 1.739 10 0 ADAERN COc1ccc(NCCCO)cc1C 43444257 573802913 /nfs/dbraw/zinc/80/29/13/573802913.db2.gz IUPHIIFAIFORQR-UHFFFAOYSA-N 0 0 195.262 1.798 10 0 ADAERN C[C@@H](O)c1nc(Cc2ccco2)no1 258133157 573802914 /nfs/dbraw/zinc/80/29/14/573802914.db2.gz UUYRHMUDLPAJEM-ZCFIWIBFSA-N 0 0 194.190 1.307 10 0 ADAERN CCC(CC)[C@H](C(C)=O)C(=O)OC 87157171 573802915 /nfs/dbraw/zinc/80/29/15/573802915.db2.gz CVMCAVGFDIRZGQ-VIFPVBQESA-N 0 0 186.251 1.801 10 0 ADAERN CC(=O)N[C@@H]1COc2c(C)cccc21 238120844 573805798 /nfs/dbraw/zinc/80/57/98/573805798.db2.gz SRZBBXVOVOHHNN-SNVBAGLBSA-N 0 0 191.230 1.565 10 0 ADAERN CCC(CC)C1(O)CCOCC1 87158501 573805810 /nfs/dbraw/zinc/80/58/10/573805810.db2.gz SHXPYWXKAXCSNM-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1[nH]c(=O)[nH]c1CCC(C)C 238128421 573805811 /nfs/dbraw/zinc/80/58/11/573805811.db2.gz PJBDBUSMETYRPR-UHFFFAOYSA-N 0 0 168.240 1.600 10 0 ADAERN COC(OC)c1c(O)cccc1C=O 238353537 573805812 /nfs/dbraw/zinc/80/58/12/573805812.db2.gz VFMYTQMKKZPQAY-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN OCCNc1ncc(C2CCC2)cn1 259194873 573805823 /nfs/dbraw/zinc/80/58/23/573805823.db2.gz HSUWNERMZNQDSW-UHFFFAOYSA-N 0 0 193.250 1.148 10 0 ADAERN OCCCCOc1cccc(CO)c1 43445842 573806716 /nfs/dbraw/zinc/80/67/16/573806716.db2.gz LIAWTCKMCLBZAY-UHFFFAOYSA-N 0 0 196.246 1.330 10 0 ADAERN CC(C)OC[C@@H](O)c1ncccc1F 131265399 573806718 /nfs/dbraw/zinc/80/67/18/573806718.db2.gz UECZLODXBFNYHF-SECBINFHSA-N 0 0 199.225 1.679 10 0 ADAERN Cc1cccc2nc(N)nc-2c1 238528369 573805841 /nfs/dbraw/zinc/80/58/41/573805841.db2.gz WIXMVICDTCQHMM-UHFFFAOYSA-N 0 0 159.192 1.472 10 0 ADAERN Cc1cc(C[C@](C)(O)C(C)C)n(C)n1 84261877 573806721 /nfs/dbraw/zinc/80/67/21/573806721.db2.gz RCCAAMUUGGTFIL-NSHDSACASA-N 0 0 196.294 1.678 10 0 ADAERN Cc1cc(Cn2ccnc2C)n(C)n1 84268563 573806730 /nfs/dbraw/zinc/80/67/30/573806730.db2.gz AHKRGCFMDWXCPL-UHFFFAOYSA-N 0 0 190.250 1.282 10 0 ADAERN Cc1nn(C)cc1OC1CCC1 238516773 573806761 /nfs/dbraw/zinc/80/67/61/573806761.db2.gz VACBFZGKHMRPIQ-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN Nc1n[nH]cc1-c1cccc2c[nH]nc12 258131888 573805846 /nfs/dbraw/zinc/80/58/46/573805846.db2.gz NDIDDHBEALOTOI-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN CC(C)(C)c1ccnn1CO 238128607 573805858 /nfs/dbraw/zinc/80/58/58/573805858.db2.gz OXMLOCLLRASAMK-UHFFFAOYSA-N 0 0 154.213 1.130 10 0 ADAERN COc1cccc2c1OCCCN2 259194612 573806769 /nfs/dbraw/zinc/80/67/69/573806769.db2.gz KHDLQXMNWNHFEJ-UHFFFAOYSA-N 0 0 179.219 1.890 10 0 ADAERN O=c1[nH]c(C2CCOCC2)cs1 259196708 573806776 /nfs/dbraw/zinc/80/67/76/573806776.db2.gz KRHUQQYJDKMACP-UHFFFAOYSA-N 0 0 185.248 1.743 10 0 ADAERN c1c[nH]c(-c2ccc3nccn3n2)c1 259192233 573805867 /nfs/dbraw/zinc/80/58/67/573805867.db2.gz YAYJWZYFYADVKD-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN C[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 238515530 573805881 /nfs/dbraw/zinc/80/58/81/573805881.db2.gz ICUSOQHTIOMJQC-LAEOZQHASA-N 0 0 180.247 1.971 10 0 ADAERN Cc1cc(F)c(F)c(C(=O)CN)c1 258133725 573805882 /nfs/dbraw/zinc/80/58/82/573805882.db2.gz RSYBOVFBUURCCT-UHFFFAOYSA-N 0 0 185.173 1.415 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1cnc(CN)o1 125156031 573805886 /nfs/dbraw/zinc/80/58/86/573805886.db2.gz XVXTVSXJXRHFTO-MUWHJKNJSA-N 0 0 182.223 1.231 10 0 ADAERN CCCOC[C@@H](O)c1ncccc1F 131264958 573805892 /nfs/dbraw/zinc/80/58/92/573805892.db2.gz CHIJTPSISMPZPL-SECBINFHSA-N 0 0 199.225 1.681 10 0 ADAERN Cc1ccc(N)c(OCCCO)c1 43443861 573805908 /nfs/dbraw/zinc/80/59/08/573805908.db2.gz AKOPFUPLEHAHLO-UHFFFAOYSA-N 0 0 181.235 1.338 10 0 ADAERN COc1cccc2c1[C@@H](CCO)CO2 258133153 573805913 /nfs/dbraw/zinc/80/59/13/573805913.db2.gz PYYILIUYZXNXCG-QMMMGPOBSA-N 0 0 194.230 1.554 10 0 ADAERN CC(=O)C[C@H](O)c1ccsc1 238127161 573805915 /nfs/dbraw/zinc/80/59/15/573805915.db2.gz UDMZPJUZWXLWJO-QMMMGPOBSA-N 0 0 170.233 1.761 10 0 ADAERN Cc1c(O)cccc1OCCCCO 43444464 573805916 /nfs/dbraw/zinc/80/59/16/573805916.db2.gz LNBKKDGUIFSJQC-UHFFFAOYSA-N 0 0 196.246 1.852 10 0 ADAERN Cc1ncc(N2CCCCC2)c(=O)[nH]1 238516659 573805930 /nfs/dbraw/zinc/80/59/30/573805930.db2.gz GBSHKZZYSWRRMS-UHFFFAOYSA-N 0 0 193.250 1.069 10 0 ADAERN OC[C@]12CC=CC[C@]1(O)CCCC2 224691256 573805943 /nfs/dbraw/zinc/80/59/43/573805943.db2.gz GEHCRTISGRNRNP-MNOVXSKESA-N 0 0 182.263 1.620 10 0 ADAERN Cc1cccc(OCCCO)c1N 43443869 573805948 /nfs/dbraw/zinc/80/59/48/573805948.db2.gz JUZWEOWKPCKDBA-UHFFFAOYSA-N 0 0 181.235 1.338 10 0 ADAERN COC(=O)CC/C=C/CCCCO 238353884 573805967 /nfs/dbraw/zinc/80/59/67/573805967.db2.gz FAEXIDGPLGQHCO-DUXPYHPUSA-N 0 0 186.251 1.658 10 0 ADAERN Cc1nn(CCCCO)c(C)c1C=O 43444782 573805969 /nfs/dbraw/zinc/80/59/69/573805969.db2.gz IWHLZGHNKQHVKJ-UHFFFAOYSA-N 0 0 196.250 1.085 10 0 ADAERN Cc1cccc(OCCCCO)c1N 43444946 573805980 /nfs/dbraw/zinc/80/59/80/573805980.db2.gz ALPGYQMLDNZULY-UHFFFAOYSA-N 0 0 195.262 1.729 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H](O)c2ncn(C)n2)C1 714746496 573805984 /nfs/dbraw/zinc/80/59/84/573805984.db2.gz AUWLTPDYJJXUIX-IWSPIJDZSA-N 0 0 195.266 1.285 10 0 ADAERN C[C@]12CCC[C@@]1(O)CC(=O)C2 238516253 573805986 /nfs/dbraw/zinc/80/59/86/573805986.db2.gz QWDPKRUVSKOTLJ-RKDXNWHRSA-N 0 0 154.209 1.271 10 0 ADAERN CCC(CC)[C@H](O)c1ncccn1 87169468 573805997 /nfs/dbraw/zinc/80/59/97/573805997.db2.gz PRAVDRILDXKDSX-VIFPVBQESA-N 0 0 180.251 1.946 10 0 ADAERN CC/C=C/C(=O)NC[C@H](C)CCO 308443514 573806007 /nfs/dbraw/zinc/80/60/07/573806007.db2.gz AEDBWEXRLDKWKN-XNPJLODASA-N 0 0 185.267 1.087 10 0 ADAERN OCCCOc1cccc(O)c1 43444469 573806008 /nfs/dbraw/zinc/80/60/08/573806008.db2.gz CIUMRHCLTZXURI-UHFFFAOYSA-N 0 0 168.192 1.153 10 0 ADAERN CC(=O)C[C@H]1CCC(C)(C)O1 238128541 573806010 /nfs/dbraw/zinc/80/60/10/573806010.db2.gz XAMFJUSKPBDEJY-MRVPVSSYSA-N 0 0 156.225 1.923 10 0 ADAERN OCNc1c[nH]c2ccccc12 258957874 573806025 /nfs/dbraw/zinc/80/60/25/573806025.db2.gz SMKYXOWXIHRLBN-UHFFFAOYSA-N 0 0 162.192 1.530 10 0 ADAERN O=C1[C@@H]2CC[C@@H]2C1(Cl)Cl 238516744 573806031 /nfs/dbraw/zinc/80/60/31/573806031.db2.gz GIKGYTSKYZXSOL-DMTCNVIQSA-N 0 0 165.019 1.769 10 0 ADAERN Cc1cc(OC2CC2)c2ncnn2c1 238516376 573806045 /nfs/dbraw/zinc/80/60/45/573806045.db2.gz MKMSUHZMONWUGD-UHFFFAOYSA-N 0 0 189.218 1.579 10 0 ADAERN CC[C@H](C)C(=O)CN(C)CC(F)F 122708291 573806046 /nfs/dbraw/zinc/80/60/46/573806046.db2.gz RABAASJRYIFZFF-ZETCQYMHSA-N 0 0 193.237 1.799 10 0 ADAERN O=C1[C@@H]2CC[C@H]2C1(Cl)Cl 238516098 573806077 /nfs/dbraw/zinc/80/60/77/573806077.db2.gz GIKGYTSKYZXSOL-QWWZWVQMSA-N 0 0 165.019 1.769 10 0 ADAERN CC1C[C@H](C)C(C(N)=O)[C@@H](C)C1 224690663 573806087 /nfs/dbraw/zinc/80/60/87/573806087.db2.gz ZFOMYTUZGPWTRX-QXNPHUFVSA-N 0 0 169.268 1.790 10 0 ADAERN C=Cc1cc(CO)cnc1C 209742202 573806091 /nfs/dbraw/zinc/80/60/91/573806091.db2.gz RPXZNBUMEVGOOE-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN CC(=O)C[C@H]1CC=C[C@@H]1C(C)=O 238128355 573806096 /nfs/dbraw/zinc/80/60/96/573806096.db2.gz ODRUMCRMXDMZOG-NXEZZACHSA-N 0 0 166.220 1.747 10 0 ADAERN C[C@@H]1C=C[C@H](O)CS1 238515836 573806122 /nfs/dbraw/zinc/80/61/22/573806122.db2.gz BCQGANIZMJCQJG-RITPCOANSA-N 0 0 130.212 1.039 10 0 ADAERN Cc1c(N)cccc1OCCCO 43443868 573806150 /nfs/dbraw/zinc/80/61/50/573806150.db2.gz KNCFBVQIINXNEY-UHFFFAOYSA-N 0 0 181.235 1.338 10 0 ADAERN C[C@@H]1CCO[C@H]1c1cnc(CN)o1 125156451 573806168 /nfs/dbraw/zinc/80/61/68/573806168.db2.gz XVXTVSXJXRHFTO-HZGVNTEJSA-N 0 0 182.223 1.231 10 0 ADAERN C/C=C\COC(=O)[C@@H](CC)N(C)C 308439727 573806177 /nfs/dbraw/zinc/80/61/77/573806177.db2.gz YLQRPWCLWGDSPU-WILPJHFFSA-N 0 0 185.267 1.446 10 0 ADAERN COC(=O)[C@@H]1C[C@H]2CCOC[C@H]2C1 259570795 573806194 /nfs/dbraw/zinc/80/61/94/573806194.db2.gz JFYHOLARMXKITG-IWSPIJDZSA-N 0 0 184.235 1.222 10 0 ADAERN Cc1cc(C(F)F)nc(CO)c1F 238516717 573806198 /nfs/dbraw/zinc/80/61/98/573806198.db2.gz JQHWWWPZHUMQBS-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN OC/C=C\Cc1ccccc1F 258134607 573806208 /nfs/dbraw/zinc/80/62/08/573806208.db2.gz JFQCLUJLXFQNNK-ARJAWSKDSA-N 0 0 166.195 1.917 10 0 ADAERN Oc1cc(F)ccc1CC1(O)CC1 258133624 573806221 /nfs/dbraw/zinc/80/62/21/573806221.db2.gz RPOIRIGHYOBQQY-UHFFFAOYSA-N 0 0 182.194 1.599 10 0 ADAERN CC(C)OC[C@H](O)c1ncccc1F 131265179 573806231 /nfs/dbraw/zinc/80/62/31/573806231.db2.gz UECZLODXBFNYHF-VIFPVBQESA-N 0 0 199.225 1.679 10 0 ADAERN C[C@@]1(CO)CN(C2CCCC2)C(=O)O1 258132641 573806246 /nfs/dbraw/zinc/80/62/46/573806246.db2.gz WUYVSHVTEPKWFS-JTQLQIEISA-N 0 0 199.250 1.132 10 0 ADAERN OCCCOc1ccccc1O 43444467 573806284 /nfs/dbraw/zinc/80/62/84/573806284.db2.gz FJTJVPJLCASRGA-UHFFFAOYSA-N 0 0 168.192 1.153 10 0 ADAERN Cc1cc(CC(=O)C2CCC2)n(C)n1 84263945 573806297 /nfs/dbraw/zinc/80/62/97/573806297.db2.gz WNIKYVXKHHYULK-UHFFFAOYSA-N 0 0 192.262 1.640 10 0 ADAERN C[C@@]1(F)CCc2onc(N)c21 258430316 573806306 /nfs/dbraw/zinc/80/63/06/573806306.db2.gz CUOXMXCWSBJVOH-SSDOTTSWSA-N 0 0 156.160 1.388 10 0 ADAERN CC/C=C/COC(=O)[C@H](C)COC 308443527 573806312 /nfs/dbraw/zinc/80/63/12/573806312.db2.gz AFFJJBBZHGGMOL-VUHVRTRXSA-N 0 0 186.251 1.778 10 0 ADAERN CCOCCC[C@@H](CC(C)C)NN 127263597 573806330 /nfs/dbraw/zinc/80/63/30/573806330.db2.gz VGMICDYEJZTAJN-JTQLQIEISA-N 0 0 188.315 1.681 10 0 ADAERN NOC[C@H]1COc2cccc(F)c21 258133128 573806343 /nfs/dbraw/zinc/80/63/43/573806343.db2.gz PYQIOEPTJNFUCT-ZCFIWIBFSA-N 0 0 183.182 1.192 10 0 ADAERN Cc1ccc([C@@H]2CC[NH2+]2)cc1C(=O)[O-] 238516123 573806351 /nfs/dbraw/zinc/80/63/51/573806351.db2.gz WORDLXSLYHHQEC-JTQLQIEISA-N 0 0 191.230 1.728 10 0 ADAERN Cc1cc(C[C@H](O)C2CCC2)n(C)n1 84264343 573806353 /nfs/dbraw/zinc/80/63/53/573806353.db2.gz RJQXDWMYIPRCCO-NSHDSACASA-N 0 0 194.278 1.432 10 0 ADAERN Cc1cc(CC(=O)[C@H]2C[C@@H]2C)n(C)n1 84264109 573806360 /nfs/dbraw/zinc/80/63/60/573806360.db2.gz GNVUBWUBWSHIHC-XVKPBYJWSA-N 0 0 192.262 1.496 10 0 ADAERN CC(=O)N[C@@H]1CCCC[C@@H]2C[C@@H]21 238128670 573806369 /nfs/dbraw/zinc/80/63/69/573806369.db2.gz QFOCSEYTACDVES-KXUCPTDWSA-N 0 0 167.252 1.701 10 0 ADAERN CC(=O)C[C@H]1CC=C[C@H]1C(C)=O 238128414 573806412 /nfs/dbraw/zinc/80/64/12/573806412.db2.gz ODRUMCRMXDMZOG-ZJUUUORDSA-N 0 0 166.220 1.747 10 0 ADAERN CC[C@](C)(O)Cc1cc(C)nn1C 84261836 573806417 /nfs/dbraw/zinc/80/64/17/573806417.db2.gz YSYIZQCJJRIRBK-JTQLQIEISA-N 0 0 182.267 1.432 10 0 ADAERN Cc1c2c(c(O)c3c1CC3)CC2 238516692 573806420 /nfs/dbraw/zinc/80/64/20/573806420.db2.gz CZASXOZZEMDSOE-UHFFFAOYSA-N 0 0 160.216 1.898 10 0 ADAERN CSCC[C@@H](CC(C)C)NN 127269302 573806466 /nfs/dbraw/zinc/80/64/66/573806466.db2.gz YHXBACQHDNWDAB-QMMMGPOBSA-N 0 0 176.329 1.618 10 0 ADAERN OC1(c2cc3c(cc2F)OCO3)CC1 258131446 573806482 /nfs/dbraw/zinc/80/64/82/573806482.db2.gz ROFWYIBEMUVWKL-UHFFFAOYSA-N 0 0 196.177 1.536 10 0 ADAERN Cc1cc(C[C@@](C)(O)C(C)C)n(C)n1 84261879 573806498 /nfs/dbraw/zinc/80/64/98/573806498.db2.gz RCCAAMUUGGTFIL-LLVKDONJSA-N 0 0 196.294 1.678 10 0 ADAERN CCC(CC)[C@@]1(O)CCCOC1 87158712 573806503 /nfs/dbraw/zinc/80/65/03/573806503.db2.gz JOBLRWUVZLTOBG-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@]12CCC[C@@]1(CO)C2 238516185 573806511 /nfs/dbraw/zinc/80/65/11/573806511.db2.gz YDYZRTHGLNRMDW-SFYZADRCSA-N 0 0 126.199 1.559 10 0 ADAERN CCCN(C)CC(=O)OC(C)C 43447004 573806529 /nfs/dbraw/zinc/80/65/29/573806529.db2.gz CGZQZLJHFDPKPU-UHFFFAOYSA-N 0 0 173.256 1.280 10 0 ADAERN O=C1CC=CCCC1 100491250 573806534 /nfs/dbraw/zinc/80/65/34/573806534.db2.gz PKTLJWUNHIKVME-UHFFFAOYSA-N 0 0 110.156 1.686 10 0 ADAERN C[C@H]1CCO[C@@H]1c1cnc(CN)o1 125156259 573806536 /nfs/dbraw/zinc/80/65/36/573806536.db2.gz XVXTVSXJXRHFTO-RCOVLWMOSA-N 0 0 182.223 1.231 10 0 ADAERN FC(F)(F)c1ncc2[nH]ccc2n1 238515968 573806551 /nfs/dbraw/zinc/80/65/51/573806551.db2.gz XAQRYGVYOYGQKR-UHFFFAOYSA-N 0 0 187.124 1.977 10 0 ADAERN Cc1nn(C)c2c1[C@H](O)CCS2 238515560 573806556 /nfs/dbraw/zinc/80/65/56/573806556.db2.gz XLNYWJAZCLUGGU-ZCFIWIBFSA-N 0 0 184.264 1.258 10 0 ADAERN C[C@]12CCC[C@@]1(CO)CC2=O 238516201 573806575 /nfs/dbraw/zinc/80/65/75/573806575.db2.gz SHLQTSVQJZIGMZ-BDAKNGLRSA-N 0 0 154.209 1.128 10 0 ADAERN Cc1cc(C[C@H]2CCC(=O)C2)n(C)n1 84268715 573806580 /nfs/dbraw/zinc/80/65/80/573806580.db2.gz DOQQMAPKJCYQLG-SECBINFHSA-N 0 0 192.262 1.640 10 0 ADAERN Cc1nc([C@@H](O)c2ccccc2)no1 238528149 573806586 /nfs/dbraw/zinc/80/65/86/573806586.db2.gz RLDQAMLMQDRAPE-VIFPVBQESA-N 0 0 190.202 1.460 10 0 ADAERN C=Cc1cc(C)c(N)cn1 209746349 573806596 /nfs/dbraw/zinc/80/65/96/573806596.db2.gz ZPELFMYFBQFBRD-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN Cc1ncc(OC2CC2)n1C 238516775 573806602 /nfs/dbraw/zinc/80/66/02/573806602.db2.gz IEQBITYGOGIJJZ-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN CCC(CC)[C@]1(O)CCCOC1 87158710 573806625 /nfs/dbraw/zinc/80/66/25/573806625.db2.gz JOBLRWUVZLTOBG-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)c1nc([C@@H](C)C[NH3+])cc(=O)[nH]1 107236504 573806628 /nfs/dbraw/zinc/80/66/28/573806628.db2.gz GUNZBMPYAMQXKH-ZETCQYMHSA-N 0 0 195.266 1.368 10 0 ADAERN Cc1ccn(Cc2cc(C)nn2C)n1 84268571 573806637 /nfs/dbraw/zinc/80/66/37/573806637.db2.gz CSAAADYGQVMVQA-UHFFFAOYSA-N 0 0 190.250 1.282 10 0 ADAERN CC[C@H](Cc1cc[nH]c1)C(=O)OC 259571401 573806646 /nfs/dbraw/zinc/80/66/46/573806646.db2.gz YPLQCOMSSSRROD-SECBINFHSA-N 0 0 181.235 1.756 10 0 ADAERN Nc1c(C2CC2)nnn1C1CC1 258430276 573806662 /nfs/dbraw/zinc/80/66/62/573806662.db2.gz CTXQFZQLHCOJIB-UHFFFAOYSA-N 0 0 164.212 1.073 10 0 ADAERN C[C@@H]1CNc2cccc(CO)c2N1C 258429634 573806668 /nfs/dbraw/zinc/80/66/68/573806668.db2.gz FOEIWSWPUJKETE-MRVPVSSYSA-N 0 0 192.262 1.429 10 0 ADAERN NC(=O)/C=C/OC1CCCCC1 224686262 573806688 /nfs/dbraw/zinc/80/66/88/573806688.db2.gz OKQCVXMURCWPGQ-VOTSOKGWSA-N 0 0 169.224 1.335 10 0 ADAERN Cc1c(C(F)F)cc(CO)nc1N 238528111 573806693 /nfs/dbraw/zinc/80/66/93/573806693.db2.gz QLQQZDNGOBBZAR-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cc1ncc(OC2CCC2)n1C 238516804 573806707 /nfs/dbraw/zinc/80/67/07/573806707.db2.gz RFYDWSYTUNLWSN-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN O=c1cnccn1C[C@@H]1CC=CCC1 402338070 573810175 /nfs/dbraw/zinc/81/01/75/573810175.db2.gz IBMRRXSLKMFKLX-SNVBAGLBSA-N 0 0 190.246 1.600 10 0 ADAERN Cc1ccc2ccnn2c1C 238529965 573810177 /nfs/dbraw/zinc/81/01/77/573810177.db2.gz HOYBQJKGYNCJPF-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN C[C@H](O)[C@@H]1Cc2cc(O)ccc2N1 258137482 573810203 /nfs/dbraw/zinc/81/02/03/573810203.db2.gz QCPPUDJAYDNSPK-WKEGUHRASA-N 0 0 179.219 1.110 10 0 ADAERN CC(=O)c1cccc2c(=O)n(C)[nH]c12 257879387 573810204 /nfs/dbraw/zinc/81/02/04/573810204.db2.gz VELFDPFCPRENIL-UHFFFAOYSA-N 0 0 190.202 1.069 10 0 ADAERN Cc1cc(C[C@H](O)[C@@H]2C[C@@H]2C)n(C)n1 84264574 573810214 /nfs/dbraw/zinc/81/02/14/573810214.db2.gz QMECNDBIIDUFBQ-XROYCOCOSA-N 0 0 194.278 1.288 10 0 ADAERN Cc1nc(CO)ccc1OC(F)F 238528411 573810219 /nfs/dbraw/zinc/81/02/19/573810219.db2.gz ZJUPNTLCDDECAO-UHFFFAOYSA-N 0 0 189.161 1.484 10 0 ADAERN Cc1cc(C[C@@H]2CCC(=O)C2)n(C)n1 84268713 573810220 /nfs/dbraw/zinc/81/02/20/573810220.db2.gz DOQQMAPKJCYQLG-VIFPVBQESA-N 0 0 192.262 1.640 10 0 ADAERN C[C@@H](O)[C@H]1Cc2cc(O)ccc2N1 258137476 573810224 /nfs/dbraw/zinc/81/02/24/573810224.db2.gz QCPPUDJAYDNSPK-LHLIQPBNSA-N 0 0 179.219 1.110 10 0 ADAERN Cc1cc(F)cc2c1CNC2=O 238529545 573809263 /nfs/dbraw/zinc/80/92/63/573809263.db2.gz BBPCSCCIEFXHLJ-UHFFFAOYSA-N 0 0 165.167 1.378 10 0 ADAERN C[C@H](CO)c1c(O)ccc2c1CCC2 258136146 573809276 /nfs/dbraw/zinc/80/92/76/573809276.db2.gz RYAAHXSNCJOQKC-MRVPVSSYSA-N 0 0 192.258 1.977 10 0 ADAERN CC(C)(C)c1nc2c(o1)C[C@H](O)CC2 257882227 573809282 /nfs/dbraw/zinc/80/92/82/573809282.db2.gz FSAMVMNUAVHSTM-SSDOTTSWSA-N 0 0 195.262 1.822 10 0 ADAERN C[C@H](CO)c1ccc2oc(=O)[nH]c2c1 258138422 573809292 /nfs/dbraw/zinc/80/92/92/573809292.db2.gz SCDUBEIAKXDRQA-ZCFIWIBFSA-N 0 0 193.202 1.217 10 0 ADAERN Cc1cccc2c1[C@@H]1NC(=O)C[C@@H]1C2 238529193 573809308 /nfs/dbraw/zinc/80/93/08/573809308.db2.gz WGJBVMOBJWAVKA-JOYOIKCWSA-N 0 0 187.242 1.728 10 0 ADAERN C[C@@H](CO)c1ccc2oc(=O)[nH]c2c1 258138419 573809315 /nfs/dbraw/zinc/80/93/15/573809315.db2.gz SCDUBEIAKXDRQA-LURJTMIESA-N 0 0 193.202 1.217 10 0 ADAERN Cc1ccc(-c2nc(CCO)co2)o1 257879786 573809326 /nfs/dbraw/zinc/80/93/26/573809326.db2.gz AGDUFMWDWXOICS-UHFFFAOYSA-N 0 0 193.202 1.778 10 0 ADAERN Cc1cc(C)n(C2CCC2)c(=O)c1N 257879283 573809333 /nfs/dbraw/zinc/80/93/33/573809333.db2.gz VCHAPJGVKSCQRT-UHFFFAOYSA-N 0 0 192.262 1.772 10 0 ADAERN C[C@]1(F)CCc2onc(N)c21 258430320 573809339 /nfs/dbraw/zinc/80/93/39/573809339.db2.gz CUOXMXCWSBJVOH-ZETCQYMHSA-N 0 0 156.160 1.388 10 0 ADAERN COc1nc(C(C)=O)nc2c1CCC2 257882372 573809367 /nfs/dbraw/zinc/80/93/67/573809367.db2.gz VRCAWUUATGPXSO-UHFFFAOYSA-N 0 0 192.218 1.177 10 0 ADAERN Cc1cccc2c1[C@H]1NC(=O)C[C@H]1C2 238529005 573809386 /nfs/dbraw/zinc/80/93/86/573809386.db2.gz WGJBVMOBJWAVKA-SKDRFNHKSA-N 0 0 187.242 1.728 10 0 ADAERN O=C1COCc2nc(Cl)ccc21 238529240 573809423 /nfs/dbraw/zinc/80/94/23/573809423.db2.gz IYCVVLNFLRRVBG-UHFFFAOYSA-N 0 0 183.594 1.448 10 0 ADAERN C[C@](F)(C[NH3+])COc1ccccc1O 257882733 573809438 /nfs/dbraw/zinc/80/94/38/573809438.db2.gz SGONYPRBGZXPJL-JTQLQIEISA-N 0 0 199.225 1.458 10 0 ADAERN Cc1cnc(N)c(C(F)F)c1CO 238529919 573809441 /nfs/dbraw/zinc/80/94/41/573809441.db2.gz RMAPQNHBGOYBPS-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC[C@H]1NCC(=O)N1CCCC(C)C 125166492 573809458 /nfs/dbraw/zinc/80/94/58/573809458.db2.gz FVNDATLASYMZJA-JTQLQIEISA-N 0 0 198.310 1.591 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1ccc(Cl)cc1N 257882625 573809464 /nfs/dbraw/zinc/80/94/64/573809464.db2.gz SFLZOCPUUWFDBO-RXMQYKEDSA-N 0 0 198.653 1.452 10 0 ADAERN CC(=O)Oc1ccc2c(c1)C(=O)CC2 238123129 573809474 /nfs/dbraw/zinc/80/94/74/573809474.db2.gz AUHGGRJHVYREDN-UHFFFAOYSA-N 0 0 190.198 1.741 10 0 ADAERN CC(=O)[C@@H]1CNc2cccc(O)c21 258137533 573809476 /nfs/dbraw/zinc/80/94/76/573809476.db2.gz QDDAMMGMGUIPKJ-ZETCQYMHSA-N 0 0 177.203 1.490 10 0 ADAERN O=C1SC=CC1F 100501091 573809478 /nfs/dbraw/zinc/80/94/78/573809478.db2.gz GBVYJXUPIBZIPI-UHFFFAOYSA-N 0 0 118.132 1.593 10 0 ADAERN COc1ccc(C)c(C)c1CCON 258138428 573809481 /nfs/dbraw/zinc/80/94/81/573809481.db2.gz SCFVQKDEFWRAMV-UHFFFAOYSA-N 0 0 195.262 1.745 10 0 ADAERN O=C1CCCOc2c(O)cccc2N1 258137770 573809500 /nfs/dbraw/zinc/80/95/00/573809500.db2.gz GPBIGGORNXCBID-UHFFFAOYSA-N 0 0 193.202 1.503 10 0 ADAERN OCCc1cnc(-c2cccnc2)o1 258137408 573809503 /nfs/dbraw/zinc/80/95/03/573809503.db2.gz PPLCRICLTIEPDQ-UHFFFAOYSA-N 0 0 190.202 1.271 10 0 ADAERN O=C1NCCC[C@@H]1c1cccc(F)c1 257879005 573809505 /nfs/dbraw/zinc/80/95/05/573809505.db2.gz GWSSJXVNIRWVLC-SNVBAGLBSA-N 0 0 193.221 1.819 10 0 ADAERN Cc1nc([C@@H]2CCCO2)[nH]c1C 238528681 573809523 /nfs/dbraw/zinc/80/95/23/573809523.db2.gz CJJGZXSRFYFYOD-QMMMGPOBSA-N 0 0 166.224 1.878 10 0 ADAERN C[C@H]1C[C@]1(CO)c1cc[nH]c1 258955845 573809535 /nfs/dbraw/zinc/80/95/35/573809535.db2.gz FVLSDGGMAYTMIR-IONNQARKSA-N 0 0 151.209 1.285 10 0 ADAERN CC(C)(C)c1nc2c(o1)C[C@@H](O)CC2 257882230 573809548 /nfs/dbraw/zinc/80/95/48/573809548.db2.gz FSAMVMNUAVHSTM-ZETCQYMHSA-N 0 0 195.262 1.822 10 0 ADAERN NOCCc1cccc2cnsc12 258138685 573809564 /nfs/dbraw/zinc/80/95/64/573809564.db2.gz SGMVAUUXCCVBAW-UHFFFAOYSA-N 0 0 194.259 1.729 10 0 ADAERN CCn1nc(C=O)cc1CC(C)C 257882158 573809571 /nfs/dbraw/zinc/80/95/71/573809571.db2.gz MEZOGSPXSJJAFH-UHFFFAOYSA-N 0 0 180.251 1.914 10 0 ADAERN COCc1cccc(CCCO)c1F 258136604 573809602 /nfs/dbraw/zinc/80/96/02/573809602.db2.gz NMPLZUQASMPYCB-UHFFFAOYSA-N 0 0 198.237 1.897 10 0 ADAERN C[C@H](O)c1cnc([C@H]2CCCCN2)o1 257879756 573809606 /nfs/dbraw/zinc/80/96/06/573809606.db2.gz AFRLBTINTAIDPG-JGVFFNPUSA-N 0 0 196.250 1.543 10 0 ADAERN CN[C@@H](O)c1cc(Cl)ccc1F 259196227 573809611 /nfs/dbraw/zinc/80/96/11/573809611.db2.gz FERYZKDFYWMZMS-QMMMGPOBSA-N 0 0 189.617 1.689 10 0 ADAERN CC(=O)[C@H]1CNc2cccc(O)c21 258137529 573809622 /nfs/dbraw/zinc/80/96/22/573809622.db2.gz QDDAMMGMGUIPKJ-SSDOTTSWSA-N 0 0 177.203 1.490 10 0 ADAERN Cc1cnc(N)c(C(F)F)c1 238529581 573809638 /nfs/dbraw/zinc/80/96/38/573809638.db2.gz QBVWYEAWJCYZGJ-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN C[C@H](O)c1cnc([C@@H]2CCOC2)o1 258137465 573809645 /nfs/dbraw/zinc/80/96/45/573809645.db2.gz PQBHLZRXUBQREH-NKWVEPMBSA-N 0 0 183.207 1.232 10 0 ADAERN COCc1nccn1C(C)C 257882591 573809666 /nfs/dbraw/zinc/80/96/66/573809666.db2.gz KLBZEGSKPPLGMI-UHFFFAOYSA-N 0 0 154.213 1.610 10 0 ADAERN CC(=O)C[C@]1(O)C=C(C)CCC1 238123701 573809669 /nfs/dbraw/zinc/80/96/69/573809669.db2.gz SDPCWVMGHMLZGM-SNVBAGLBSA-N 0 0 168.236 1.827 10 0 ADAERN O=C1OC2(CCCC2)CCN1CCO 257882451 573809682 /nfs/dbraw/zinc/80/96/82/573809682.db2.gz SEOHBSHEJVFZET-UHFFFAOYSA-N 0 0 199.250 1.134 10 0 ADAERN CCCCOC(=O)C[S@](=O)CC 43447714 573809686 /nfs/dbraw/zinc/80/96/86/573809686.db2.gz DXEKFHPOOMYXJX-LBPRGKRZSA-N 0 0 192.280 1.098 10 0 ADAERN CC(C)(CO)[C@H](O)C1CCCCC1 238124063 573809687 /nfs/dbraw/zinc/80/96/87/573809687.db2.gz PZWFRZJRPVLAAZ-SNVBAGLBSA-N 0 0 186.295 1.946 10 0 ADAERN Cc1cc(F)cc2c1C(=O)OCC2 238529665 573809725 /nfs/dbraw/zinc/80/97/25/573809725.db2.gz AWRARYPLLUYPCY-UHFFFAOYSA-N 0 0 180.178 1.847 10 0 ADAERN CCn1nc(C)cc1C[C@@H](C)O 84262728 573809750 /nfs/dbraw/zinc/80/97/50/573809750.db2.gz XYMWICMUZVZXPZ-MRVPVSSYSA-N 0 0 168.240 1.135 10 0 ADAERN O=C1CCNc2ccnc(Cl)c2N1 257879318 573809760 /nfs/dbraw/zinc/80/97/60/573809760.db2.gz VDCVFDPDTDBKBM-UHFFFAOYSA-N 0 0 197.625 1.489 10 0 ADAERN C[C@@H](O)c1cc2c(cc1F)OCC2 258138436 573809769 /nfs/dbraw/zinc/80/97/69/573809769.db2.gz SCGLUGHOCHGYKU-ZCFIWIBFSA-N 0 0 182.194 1.814 10 0 ADAERN COc1ccc(C[C@H](F)C(N)=O)cc1 258138183 573809775 /nfs/dbraw/zinc/80/97/75/573809775.db2.gz QWLRTEWCRVJVFA-VIFPVBQESA-N 0 0 197.209 1.061 10 0 ADAERN CCc1cc(C[C@@H](O)C2CC2)n(C)n1 84262527 573809776 /nfs/dbraw/zinc/80/97/76/573809776.db2.gz DFDLRDGUQZONIC-LLVKDONJSA-N 0 0 194.278 1.296 10 0 ADAERN Cc1cc(C[C@@H]2CC[C@H](O)C2)n(C)n1 84269318 573809795 /nfs/dbraw/zinc/80/97/95/573809795.db2.gz SYEGPKRVQJJECQ-ONGXEEELSA-N 0 0 194.278 1.432 10 0 ADAERN CC(C)c1c[nH]c(CCCO)n1 259195546 573809798 /nfs/dbraw/zinc/80/97/98/573809798.db2.gz XDLHVVIWROIFMC-UHFFFAOYSA-N 0 0 168.240 1.458 10 0 ADAERN Cc1c(C(F)F)c[nH]c(=O)c1C=O 238530226 573809799 /nfs/dbraw/zinc/80/97/99/573809799.db2.gz HZUFMYVGKHHYGN-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CC(C)(C)[C@@]1(C)COC(=O)N1 258430324 573809804 /nfs/dbraw/zinc/80/98/04/573809804.db2.gz CUXNTPBUPXJOEZ-MRVPVSSYSA-N 0 0 157.213 1.531 10 0 ADAERN CC(=O)Oc1ccc2c(c1)CCCN2 238123477 573809805 /nfs/dbraw/zinc/80/98/05/573809805.db2.gz CHSQUYHBNJTLSZ-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN Cc1cc(CC(C)(C)O)n(C)n1 84261820 573809819 /nfs/dbraw/zinc/80/98/19/573809819.db2.gz XAMIXERXUFDYNL-UHFFFAOYSA-N 0 0 168.240 1.042 10 0 ADAERN O=C([O-])C/C=C\C[C@@H]1CCCC[NH2+]1 258136425 573809826 /nfs/dbraw/zinc/80/98/26/573809826.db2.gz JJCPVHMXKCXFHS-JKERVTFKSA-N 0 0 183.251 1.550 10 0 ADAERN COC(=O)CC(=O)[C@H]1CC2CC1C2 257879011 573809835 /nfs/dbraw/zinc/80/98/35/573809835.db2.gz LRABEIHAMODHAD-RRQHEKLDSA-N 0 0 182.219 1.165 10 0 ADAERN Cc1cc(Cc2ccc(N)o2)n[nH]1 238530059 573809840 /nfs/dbraw/zinc/80/98/40/573809840.db2.gz KBIDVWJJXSRDMW-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN CCn1nc(C)cc1Cn1cccn1 84268543 573809842 /nfs/dbraw/zinc/80/98/42/573809842.db2.gz LOAGHFCIAYMOCB-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN O=C1NCCC[C@H]1c1cccc(F)c1 257879002 573809846 /nfs/dbraw/zinc/80/98/46/573809846.db2.gz GWSSJXVNIRWVLC-JTQLQIEISA-N 0 0 193.221 1.819 10 0 ADAERN Cc1noc(C)c1[C@@H](O)C(F)(F)F 238528916 573809848 /nfs/dbraw/zinc/80/98/48/573809848.db2.gz NHQMMPGYDNPJBD-ZCFIWIBFSA-N 0 0 195.140 1.887 10 0 ADAERN Nc1c(F)cccc1[C@@H](O)CCCO 257879241 573809855 /nfs/dbraw/zinc/80/98/55/573809855.db2.gz RUQIVRJPCGHVQS-VIFPVBQESA-N 0 0 199.225 1.214 10 0 ADAERN CC(C)(C)PCCCO 238123417 573809858 /nfs/dbraw/zinc/80/98/58/573809858.db2.gz AJOCCYQARODBQZ-UHFFFAOYSA-N 0 0 148.186 1.846 10 0 ADAERN Cc1cc(CC(=O)[C@@H]2C[C@@H]2C)n(C)n1 84264107 573809861 /nfs/dbraw/zinc/80/98/61/573809861.db2.gz GNVUBWUBWSHIHC-OIBJUYFYSA-N 0 0 192.262 1.496 10 0 ADAERN O=c1cnccn1C[C@H]1CC=CCC1 402338069 573809868 /nfs/dbraw/zinc/80/98/68/573809868.db2.gz IBMRRXSLKMFKLX-JTQLQIEISA-N 0 0 190.246 1.600 10 0 ADAERN CCC(CC)[C@H](O)c1nc[nH]n1 87169597 573809878 /nfs/dbraw/zinc/80/98/78/573809878.db2.gz IRKVWCAKECDKAS-ZETCQYMHSA-N 0 0 169.228 1.274 10 0 ADAERN Cc1cc(CC(=O)C2CC2)n(C)n1 84263723 573809903 /nfs/dbraw/zinc/80/99/03/573809903.db2.gz UDSZTUSJHUXLNQ-UHFFFAOYSA-N 0 0 178.235 1.250 10 0 ADAERN CC(C)=C1CC[C@H](C(N)=O)C1 238122591 573809904 /nfs/dbraw/zinc/80/99/04/573809904.db2.gz DFHLAYNEJAYHFL-QMMMGPOBSA-N 0 0 153.225 1.608 10 0 ADAERN C=Cc1cc(C)c(O)cn1 209747459 573809905 /nfs/dbraw/zinc/80/99/05/573809905.db2.gz WYPMFAURUVIQFJ-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN CC(=O)[C@H]1COc2ccc(F)cc21 258137582 573809909 /nfs/dbraw/zinc/80/99/09/573809909.db2.gz QDVFSARPTNHCFZ-SECBINFHSA-N 0 0 180.178 1.891 10 0 ADAERN CCc1cc(Cn2cccn2)n(C)n1 84268541 573809920 /nfs/dbraw/zinc/80/99/20/573809920.db2.gz PODKFMXKCZOKRY-UHFFFAOYSA-N 0 0 190.250 1.227 10 0 ADAERN CC(=O)c1cc(F)c(F)cc1C=O 258138531 573809926 /nfs/dbraw/zinc/80/99/26/573809926.db2.gz SDRQVSBCHZBZCB-UHFFFAOYSA-N 0 0 184.141 1.980 10 0 ADAERN Cc1cc(CC[C@@H](C)O)n(C)n1 84266497 573809935 /nfs/dbraw/zinc/80/99/35/573809935.db2.gz ISFCGHRZBKQWAU-MRVPVSSYSA-N 0 0 168.240 1.042 10 0 ADAERN CC1C[C@@H]2C[N@@H+](C)C[C@H](C1)C2C(=O)[O-] 258136176 573809947 /nfs/dbraw/zinc/80/99/47/573809947.db2.gz QRTUQXDVVIPYTG-XWJSGITJSA-N 0 0 197.278 1.295 10 0 ADAERN Cc1cnc(N)c(C=O)c1C(F)F 238530291 573809951 /nfs/dbraw/zinc/80/99/51/573809951.db2.gz OFQKNNPXCIIPCH-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1cc(CC2(O)CCCC2)n(C)n1 84261801 573809954 /nfs/dbraw/zinc/80/99/54/573809954.db2.gz YYHMPVMNCXDWMA-UHFFFAOYSA-N 0 0 194.278 1.576 10 0 ADAERN CC(C)=C1CC[C@@H](C(N)=O)C1 238121686 573809964 /nfs/dbraw/zinc/80/99/64/573809964.db2.gz DFHLAYNEJAYHFL-MRVPVSSYSA-N 0 0 153.225 1.608 10 0 ADAERN C[C@H]1CN(C)c2cc(N)ccc2N1 259197349 573809965 /nfs/dbraw/zinc/80/99/65/573809965.db2.gz KLVVWMCNHDOMPM-ZETCQYMHSA-N 0 0 177.251 1.519 10 0 ADAERN C[C@@H](O)CCC(=O)C1CCCC1 127257773 573809987 /nfs/dbraw/zinc/80/99/87/573809987.db2.gz JYSCYFWLHFXCIQ-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN CC(C)(CO)c1ccc2n[nH]cc2c1 258136196 573809994 /nfs/dbraw/zinc/80/99/94/573809994.db2.gz RYZFMFLZRYOTLD-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN OCCc1cc(F)c2c(c1)OCCO2 258138597 573810009 /nfs/dbraw/zinc/81/00/09/573810009.db2.gz SEUWOTIFPHTZPZ-UHFFFAOYSA-N 0 0 198.193 1.132 10 0 ADAERN Cc1cccc(N(O)C(N)=O)c1 238528608 573810018 /nfs/dbraw/zinc/81/00/18/573810018.db2.gz FHDKVJQMGSAZGU-UHFFFAOYSA-N 0 0 166.180 1.269 10 0 ADAERN CC(=O)Nc1ccc2snnc2c1 238121299 573810021 /nfs/dbraw/zinc/81/00/21/573810021.db2.gz SIHLUJJNQPUWGY-UHFFFAOYSA-N 0 0 193.231 1.650 10 0 ADAERN CCC(CC)n1cncn1 87174337 573810058 /nfs/dbraw/zinc/81/00/58/573810058.db2.gz ULIJMTNDFSVQAD-UHFFFAOYSA-N 0 0 139.202 1.639 10 0 ADAERN Cc1cc(C[C@@H](O)C(C)C)n(C)n1 84262332 573810075 /nfs/dbraw/zinc/81/00/75/573810075.db2.gz BILYFQWQIKIOOU-SNVBAGLBSA-N 0 0 182.267 1.288 10 0 ADAERN Cn1c[nH+]c2cc([O-])c(F)c(F)c21 238528974 573810105 /nfs/dbraw/zinc/81/01/05/573810105.db2.gz CGLSSWAVDZQHAF-UHFFFAOYSA-N 0 0 184.145 1.557 10 0 ADAERN C[NH2+]Cc1coc([C@H]2CCCO2)n1 257882935 573810108 /nfs/dbraw/zinc/81/01/08/573810108.db2.gz ALFZBKFLZCKLEJ-MRVPVSSYSA-N 0 0 182.223 1.246 10 0 ADAERN CC(C)(C)C(=O)C[C@@H]1C[C@]1(C)O 238122545 573810116 /nfs/dbraw/zinc/81/01/16/573810116.db2.gz RJIZVBPODFTEMN-XCBNKYQSSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1cc(CC2=C[C@@H](O)CC2)n(C)n1 84269523 573810138 /nfs/dbraw/zinc/81/01/38/573810138.db2.gz FDQNMLMCYJHSGZ-NSHDSACASA-N 0 0 192.262 1.352 10 0 ADAERN CCc1cc(CC(C)(C)O)n(C)n1 84261826 573810145 /nfs/dbraw/zinc/81/01/45/573810145.db2.gz LJPFWBFYFMLZDU-UHFFFAOYSA-N 0 0 182.267 1.296 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@@H](C(=O)[O-])C2CC2)C1 258138007 573810157 /nfs/dbraw/zinc/81/01/57/573810157.db2.gz QUMSBLCLDMLOCV-PSASIEDQSA-N 0 0 197.278 1.439 10 0 ADAERN CC[C@@H](C)[C@H](CO)Nc1cnccn1 308744234 573812463 /nfs/dbraw/zinc/81/24/63/573812463.db2.gz QOHQTIRDFOWSOW-BDAKNGLRSA-N 0 0 195.266 1.296 10 0 ADAERN Nc1c(C2CCCC2)cn[nH]c1=O 257880471 573812480 /nfs/dbraw/zinc/81/24/80/573812480.db2.gz FGGUPHVXRKHXDG-UHFFFAOYSA-N 0 0 179.223 1.422 10 0 ADAERN Cc1ccc2ccnn2c1CO 238530113 573811635 /nfs/dbraw/zinc/81/16/35/573811635.db2.gz DQTUMTGJYMADAG-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])C1CC1 41047635 573811660 /nfs/dbraw/zinc/81/16/60/573811660.db2.gz ZACKNGJSBCZRDG-HTRCEHHLSA-N 0 0 171.240 1.238 10 0 ADAERN CC(C)=C1CC[C@H](CNC(N)=O)C1 238122783 573812518 /nfs/dbraw/zinc/81/25/18/573812518.db2.gz GKBZFZDCWFVWFE-QMMMGPOBSA-N 0 0 182.267 1.791 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1C(C)(C)[NH3+] 238529192 573811680 /nfs/dbraw/zinc/81/16/80/573811680.db2.gz BLJOBGXHOSWWRB-UHFFFAOYSA-N 0 0 193.246 1.887 10 0 ADAERN Oc1cccc(Cn2cccn2)c1 87183503 573811701 /nfs/dbraw/zinc/81/17/01/573811701.db2.gz SYRAYGFUBLQCKO-UHFFFAOYSA-N 0 0 174.203 1.637 10 0 ADAERN CC(C)=C1C[C@@H]1CO 238123779 573811704 /nfs/dbraw/zinc/81/17/04/573811704.db2.gz XWSFTGCIKYEHOR-ZCFIWIBFSA-N 0 0 112.172 1.335 10 0 ADAERN Cc1cc(F)c(C(=O)[O-])cc1CC[NH3+] 258140803 573811706 /nfs/dbraw/zinc/81/17/06/573811706.db2.gz SIHMYOZVMATYEL-UHFFFAOYSA-N 0 0 197.209 1.334 10 0 ADAERN C[C@@H](O)[C@H](C)Cc1ccc(O)cc1 87182162 573811710 /nfs/dbraw/zinc/81/17/10/573811710.db2.gz RESCETUFUOZIBG-RKDXNWHRSA-N 0 0 180.247 1.952 10 0 ADAERN Oc1ccc(C[C@@H](O)C2CC2)cc1 87179744 573811716 /nfs/dbraw/zinc/81/17/16/573811716.db2.gz AAXZNYLYLDDWNS-LLVKDONJSA-N 0 0 178.231 1.706 10 0 ADAERN COc1nc2c(cc1C(C)=O)COC2 257882240 573811721 /nfs/dbraw/zinc/81/17/21/573811721.db2.gz VPMULPWDTGAWGX-UHFFFAOYSA-N 0 0 193.202 1.323 10 0 ADAERN CC[C@@H](C)C[C@@H](NN)c1ccnn1C 131313333 573811738 /nfs/dbraw/zinc/81/17/38/573811738.db2.gz LECRVJXOZUKRAM-RKDXNWHRSA-N 0 0 196.298 1.361 10 0 ADAERN COCCC[C@H](C)C(=O)OC1CC1 308443913 573811743 /nfs/dbraw/zinc/81/17/43/573811743.db2.gz AKAOIFVTFSGTLQ-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)Oc1ccc(O)c2c1CCC2 238122666 573811756 /nfs/dbraw/zinc/81/17/56/573811756.db2.gz UNKIANPRABYFGJ-UHFFFAOYSA-N 0 0 192.214 1.806 10 0 ADAERN C[C@@]1(C2CCOCC2)CCOC(=O)N1 257882701 573811765 /nfs/dbraw/zinc/81/17/65/573811765.db2.gz SFZQEMZDEPRNRT-JTQLQIEISA-N 0 0 199.250 1.302 10 0 ADAERN CC(=O)C[C@@]1(C)CC(C)(C)C(=O)N1 238122585 573811772 /nfs/dbraw/zinc/81/17/72/573811772.db2.gz RVDQGVOWDKVYDJ-JTQLQIEISA-N 0 0 183.251 1.270 10 0 ADAERN Nc1cnnc(C(F)(F)F)c1 257878937 573811786 /nfs/dbraw/zinc/81/17/86/573811786.db2.gz FDJKHWNCXLUKTP-UHFFFAOYSA-N 0 0 163.102 1.078 10 0 ADAERN COc1cc(F)cc(C[C@@H](C)O)c1 258140981 573811799 /nfs/dbraw/zinc/81/17/99/573811799.db2.gz SNXNVXXFGOKVBB-SSDOTTSWSA-N 0 0 184.210 1.758 10 0 ADAERN Cc1ccc(/C=C/[C@@H](O)CO)cc1 238529149 573811811 /nfs/dbraw/zinc/81/18/11/573811811.db2.gz GIVZZEHIDJCPQH-XUIVZRPNSA-N 0 0 178.231 1.361 10 0 ADAERN CC[C@@H](C)N[C@@H](C(=O)OC)C1CC1 41047639 573811833 /nfs/dbraw/zinc/81/18/33/573811833.db2.gz FKUXZXMZVLRPES-VXNVDRBHSA-N 0 0 185.267 1.326 10 0 ADAERN O=C([O-])CC[C@H]1[NH2+]Cc2ccccc21 258140599 573811853 /nfs/dbraw/zinc/81/18/53/573811853.db2.gz MQVIMMZJFPEWPX-SNVBAGLBSA-N 0 0 191.230 1.696 10 0 ADAERN CC(C)C1CC(N2C[C@@H](O)CC2=O)C1 714749693 573811857 /nfs/dbraw/zinc/81/18/57/573811857.db2.gz ZWNDATKWQBVHQW-RTBKNWGFSA-N 0 0 197.278 1.014 10 0 ADAERN CCCC1(CCC)NCC(=O)N1CC 308744216 573811860 /nfs/dbraw/zinc/81/18/60/573811860.db2.gz QLTKXRYYRDRHCH-UHFFFAOYSA-N 0 0 198.310 1.735 10 0 ADAERN CC[C@H](C)[C@@H](CO)Nc1cnccn1 308744235 573811891 /nfs/dbraw/zinc/81/18/91/573811891.db2.gz QOHQTIRDFOWSOW-DTWKUNHWSA-N 0 0 195.266 1.296 10 0 ADAERN CC(C)=C1CCO[C@H]1O 238121648 573811907 /nfs/dbraw/zinc/81/19/07/573811907.db2.gz HISSNWGXZMFBII-SSDOTTSWSA-N 0 0 128.171 1.062 10 0 ADAERN Cc1ccc(=O)c(O)c(C)c1 238529617 573811908 /nfs/dbraw/zinc/81/19/08/573811908.db2.gz BLPWGWWPXSTIKO-UHFFFAOYSA-N 0 0 150.177 1.369 10 0 ADAERN Cc1c(N)ncc(C=O)c1C(F)F 238529171 573811921 /nfs/dbraw/zinc/81/19/21/573811921.db2.gz HLQOHAHXGLKWSW-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1cccc2c1[C@H]1NC(=O)C[C@@H]1C2 238529174 573811933 /nfs/dbraw/zinc/81/19/33/573811933.db2.gz WGJBVMOBJWAVKA-CABZTGNLSA-N 0 0 187.242 1.728 10 0 ADAERN C[C@@H]1Cc2cc(CCON)ccc2O1 258140984 573811936 /nfs/dbraw/zinc/81/19/36/573811936.db2.gz SNYVGDHVKNVCFM-MRVPVSSYSA-N 0 0 193.246 1.443 10 0 ADAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])C1CC1 41047634 573811960 /nfs/dbraw/zinc/81/19/60/573811960.db2.gz ZACKNGJSBCZRDG-XPUUQOCRSA-N 0 0 171.240 1.238 10 0 ADAERN CCOc1cc(OC)ccc1CNO 258145325 573811963 /nfs/dbraw/zinc/81/19/63/573811963.db2.gz SUVTTXMOCAFZCY-UHFFFAOYSA-N 0 0 197.234 1.573 10 0 ADAERN C[NH2+][C@@H](c1ccccc1OC)[C@H](C)O 259198316 573811964 /nfs/dbraw/zinc/81/19/64/573811964.db2.gz IBJSIIUUNFVENA-GZMMTYOYSA-N 0 0 195.262 1.337 10 0 ADAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])C1CC1 41047633 573811969 /nfs/dbraw/zinc/81/19/69/573811969.db2.gz ZACKNGJSBCZRDG-SVRRBLITSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@@H](C)OC(=O)c1cc(N)c[nH]1 41046630 573811971 /nfs/dbraw/zinc/81/19/71/573811971.db2.gz SSIVQNFKYUQVNI-ZCFIWIBFSA-N 0 0 182.223 1.552 10 0 ADAERN CCC(=O)Cc1cccc(O)c1 87180326 573812007 /nfs/dbraw/zinc/81/20/07/573812007.db2.gz MSVDKXRGJBQQQU-UHFFFAOYSA-N 0 0 164.204 1.914 10 0 ADAERN C[C@H](O)Cc1cn2ccsc2n1 84286302 573812011 /nfs/dbraw/zinc/81/20/11/573812011.db2.gz CWWFETMISHLUMV-LURJTMIESA-N 0 0 182.248 1.319 10 0 ADAERN Oc1cccc(C[C@H](O)C2CC2)c1 87179738 573812015 /nfs/dbraw/zinc/81/20/15/573812015.db2.gz RNLQUVQTAOXFFE-NSHDSACASA-N 0 0 178.231 1.706 10 0 ADAERN CC[C@@H](C)C1(CO)CCOCC1 87176050 573812022 /nfs/dbraw/zinc/81/20/22/573812022.db2.gz KIOFDFPZHVNYNU-SECBINFHSA-N 0 0 172.268 1.822 10 0 ADAERN O=C1Nc2c(F)cccc2OC12CC2 259197627 573812037 /nfs/dbraw/zinc/81/20/37/573812037.db2.gz KQNRKXKQXBGHFT-UHFFFAOYSA-N 0 0 193.177 1.689 10 0 ADAERN Cc1c(CCO)cc2n1CCC2 84284035 573812040 /nfs/dbraw/zinc/81/20/40/573812040.db2.gz NPJKACWIMDAPAZ-UHFFFAOYSA-N 0 0 165.236 1.278 10 0 ADAERN NOCCc1cccc2c1OCCC2 258140974 573812046 /nfs/dbraw/zinc/81/20/46/573812046.db2.gz SNIQILHTLAXQPG-UHFFFAOYSA-N 0 0 193.246 1.444 10 0 ADAERN C[C@H](O)Cc1nc2ccccc2o1 84286430 573812062 /nfs/dbraw/zinc/81/20/62/573812062.db2.gz XSJNIWVBITWVDM-ZETCQYMHSA-N 0 0 177.203 1.751 10 0 ADAERN Cc1noc(C)c1-c1nnc(N)s1 238529678 573812085 /nfs/dbraw/zinc/81/20/85/573812085.db2.gz OMYCWVHALHKDBX-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN Cc1cc(Cc2ccc(N)o2)no1 238530086 573812101 /nfs/dbraw/zinc/81/21/01/573812101.db2.gz HTJKCPDKTCTLPV-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Nc1cc(-c2ccc(O)cc2)c[nH]1 258130696 573812111 /nfs/dbraw/zinc/81/21/11/573812111.db2.gz NRFNOGNETDDLPY-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN Oc1cccc(Cn2cncn2)c1 87183509 573812129 /nfs/dbraw/zinc/81/21/29/573812129.db2.gz ZCDSVZKTTPKXQE-UHFFFAOYSA-N 0 0 175.191 1.032 10 0 ADAERN C[NH2+][C@H](c1ccccc1OC)[C@H](C)O 259198324 573812146 /nfs/dbraw/zinc/81/21/46/573812146.db2.gz IBJSIIUUNFVENA-KWQFWETISA-N 0 0 195.262 1.337 10 0 ADAERN CC[C@@H](C)C[C@@H](COC(C)C)NN 131297071 573812155 /nfs/dbraw/zinc/81/21/55/573812155.db2.gz ZAIVICLNXPNWER-ZJUUUORDSA-N 0 0 188.315 1.680 10 0 ADAERN C[N@@H+]1CCC=C(CCCC(=O)[O-])C1 258139561 573812156 /nfs/dbraw/zinc/81/21/56/573812156.db2.gz QJUFRSCIFHDTBF-UHFFFAOYSA-N 0 0 183.251 1.503 10 0 ADAERN Cc1ccc2ccnn2c1F 238530165 573812178 /nfs/dbraw/zinc/81/21/78/573812178.db2.gz RBCVGSWEWUYRNQ-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN Cc1ccc(O)c(N2CCOCC2)c1 238528802 573812190 /nfs/dbraw/zinc/81/21/90/573812190.db2.gz XKWYMBRSDAQHAM-UHFFFAOYSA-N 0 0 193.246 1.537 10 0 ADAERN CCOC(=O)[C@H](N(C)C)C(C)(C)C 259198986 573812198 /nfs/dbraw/zinc/81/21/98/573812198.db2.gz OMCGHDOUVGCPCR-QMMMGPOBSA-N 0 0 187.283 1.526 10 0 ADAERN CC(C)CC(=O)C[C@]1(C)CO1 238121341 573812202 /nfs/dbraw/zinc/81/22/02/573812202.db2.gz IYGXUDJGEJZZEB-SECBINFHSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1ccc(O)c(N2CCCC2=O)c1 238528661 573812203 /nfs/dbraw/zinc/81/22/03/573812203.db2.gz HINGJEDHCQTIOB-UHFFFAOYSA-N 0 0 191.230 1.827 10 0 ADAERN CC(C)CC(=O)N[C@@H]1CCCCO1 238122580 573812223 /nfs/dbraw/zinc/81/22/23/573812223.db2.gz OTLCHCDZNJLBCI-JTQLQIEISA-N 0 0 185.267 1.675 10 0 ADAERN Cc1cc(F)cc2c1C(=O)NC2 238529742 573812227 /nfs/dbraw/zinc/81/22/27/573812227.db2.gz RPCSGDXIDCFKOT-UHFFFAOYSA-N 0 0 165.167 1.378 10 0 ADAERN OCc1noc2c1[C@@H](F)CCC2 258433872 573812255 /nfs/dbraw/zinc/81/22/55/573812255.db2.gz DHTOYWIRDTVSIM-YFKPBYRVSA-N 0 0 171.171 1.514 10 0 ADAERN CC(C)CC(=O)N[C@H]1CCCCO1 238122690 573812261 /nfs/dbraw/zinc/81/22/61/573812261.db2.gz OTLCHCDZNJLBCI-SNVBAGLBSA-N 0 0 185.267 1.675 10 0 ADAERN CC[C@@H](Cc1cc[nH]c1)C(=O)OC 259571402 573812309 /nfs/dbraw/zinc/81/23/09/573812309.db2.gz YPLQCOMSSSRROD-VIFPVBQESA-N 0 0 181.235 1.756 10 0 ADAERN ONCc1cc(F)ccc1OC1CC1 258145342 573812317 /nfs/dbraw/zinc/81/23/17/573812317.db2.gz SVMOWEPHOXYPKR-UHFFFAOYSA-N 0 0 197.209 1.846 10 0 ADAERN N=C(N)c1ccc(Cl)o1 84298053 573812331 /nfs/dbraw/zinc/81/23/31/573812331.db2.gz DLMGSOLRUWARGD-UHFFFAOYSA-N 0 0 144.561 1.217 10 0 ADAERN CC[C@H](C)C1(CO)CC1 87176068 573812332 /nfs/dbraw/zinc/81/23/32/573812332.db2.gz JJWPHLCAHNVQBV-ZETCQYMHSA-N 0 0 128.215 1.805 10 0 ADAERN C[C@H](O)c1ccc2c(c1)C(=O)N(C)C2 258141007 573812347 /nfs/dbraw/zinc/81/23/47/573812347.db2.gz SOONFSUGPHBBKM-ZETCQYMHSA-N 0 0 191.230 1.326 10 0 ADAERN CC(=O)C[C@@](C)(O)C1CC1 238122294 573812359 /nfs/dbraw/zinc/81/23/59/573812359.db2.gz RUQLEZQOLDNCDS-MRVPVSSYSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)C[C@]1(C)OC=CCCO1 238123369 573812369 /nfs/dbraw/zinc/81/23/69/573812369.db2.gz NFPAHBKWQVKVEF-SECBINFHSA-N 0 0 170.208 1.632 10 0 ADAERN C[C@@H](O)Cc1ccc(C2(O)CC2)cc1 258145348 573812391 /nfs/dbraw/zinc/81/23/91/573812391.db2.gz SVRZZKVBNZHTMV-SECBINFHSA-N 0 0 192.258 1.591 10 0 ADAERN CC[C@H](C)N[C@H](C(=O)OC)C1CC1 41047638 573812393 /nfs/dbraw/zinc/81/23/93/573812393.db2.gz FKUXZXMZVLRPES-CBAPKCEASA-N 0 0 185.267 1.326 10 0 ADAERN CCOC(=O)[C@@H](N(C)C)C(C)(C)C 259198983 573812395 /nfs/dbraw/zinc/81/23/95/573812395.db2.gz OMCGHDOUVGCPCR-MRVPVSSYSA-N 0 0 187.283 1.526 10 0 ADAERN CC[C@@H](C)C1(CO)CC1 87176066 573812403 /nfs/dbraw/zinc/81/24/03/573812403.db2.gz 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238137084 573818936 /nfs/dbraw/zinc/81/89/36/573818936.db2.gz RWXLHHDRBBCZBS-UHFFFAOYSA-N 0 0 166.176 1.609 10 0 ADAERN CC(=O)Cc1cc(=O)cc(C)o1 238136340 573818959 /nfs/dbraw/zinc/81/89/59/573818959.db2.gz WTIUJUBAEZIEOI-UHFFFAOYSA-N 0 0 166.176 1.080 10 0 ADAERN CC[C@@H](C)[C@H]([NH2+]CC1CC1)C(=O)[O-] 41050341 573818971 /nfs/dbraw/zinc/81/89/71/573818971.db2.gz YVMNPBSEZFJZKJ-APPZFPTMSA-N 0 0 185.267 1.485 10 0 ADAERN NOCc1cc2cccc(O)c2[nH]1 258146924 573819021 /nfs/dbraw/zinc/81/90/21/573819021.db2.gz LDKJVHUNDWNGNE-UHFFFAOYSA-N 0 0 178.191 1.264 10 0 ADAERN C[C@@H](O)c1cc2cc(O)ccc2[nH]1 258146807 573819031 /nfs/dbraw/zinc/81/90/31/573819031.db2.gz LCSBMCULCTWPFM-ZCFIWIBFSA-N 0 0 177.203 1.927 10 0 ADAERN O=C(c1ccncc1)[C@H]1CCCOC1 225017237 573819626 /nfs/dbraw/zinc/81/96/26/573819626.db2.gz IGISSPCUHIIBPV-JTQLQIEISA-N 0 0 191.230 1.691 10 0 ADAERN O=C1CSc2cccc(O)c2N1 259200279 573819069 /nfs/dbraw/zinc/81/90/69/573819069.db2.gz KREMEUJYUPPDPO-UHFFFAOYSA-N 0 0 181.216 1.436 10 0 ADAERN 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257883654 573819334 /nfs/dbraw/zinc/81/93/34/573819334.db2.gz FSSUJTALAMJFSX-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN CC(=O)OC12CCC(C)(CC1)[C@H](O)C2 238135106 573819338 /nfs/dbraw/zinc/81/93/38/573819338.db2.gz XLPDQHMZBJUYKH-KPPDAEKUSA-N 0 0 198.262 1.633 10 0 ADAERN COc1ccc(F)c(C)c1CNO 258148003 573819346 /nfs/dbraw/zinc/81/93/46/573819346.db2.gz TXASVHHBXCSLHX-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN CC(=O)[C@H]1CC[C@H](C)[C@@H](O)C1 143486063 573819347 /nfs/dbraw/zinc/81/93/47/573819347.db2.gz HRRFEPUZFUHYGX-XVYDVKMFSA-N 0 0 156.225 1.373 10 0 ADAERN C=Cc1ccc2c(c1)OCC(=O)N2 238136156 573819351 /nfs/dbraw/zinc/81/93/51/573819351.db2.gz ALRGXIXLTMNVJL-UHFFFAOYSA-N 0 0 175.187 1.661 10 0 ADAERN OCC[C@@H]1Cc2cccc(F)c2C1 257883330 573819373 /nfs/dbraw/zinc/81/93/73/573819373.db2.gz MKCQCMBEHQYTAC-MRVPVSSYSA-N 0 0 180.222 1.923 10 0 ADAERN NOCCc1cccc(C2COC2)c1 258145426 573819400 /nfs/dbraw/zinc/81/94/00/573819400.db2.gz SXKCOPGAENZUKS-UHFFFAOYSA-N 0 0 193.246 1.233 10 0 ADAERN 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/nfs/dbraw/zinc/82/06/52/573820652.db2.gz JYGDVZFZAMIPAM-UHFFFAOYSA-N 0 0 192.262 1.906 10 0 ADAERN CCOCC(=O)c1cnccc1OC 308447645 573821376 /nfs/dbraw/zinc/82/13/76/573821376.db2.gz AEEDQTRUAVMYIB-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN CC(C)(C)OC(=O)N1C=C[C@@H](O)C1 238136169 573821382 /nfs/dbraw/zinc/82/13/82/573821382.db2.gz MBCGPMXBWVLHIG-SSDOTTSWSA-N 0 0 185.223 1.112 10 0 ADAERN O=C(c1ccncn1)[C@@H]1CCCOC1 225019722 573821383 /nfs/dbraw/zinc/82/13/83/573821383.db2.gz ALEQHRBUDUQXGI-MRVPVSSYSA-N 0 0 192.218 1.086 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])[C@H](C)CC 41050203 573821401 /nfs/dbraw/zinc/82/14/01/573821401.db2.gz ISHKRNXLVREQBA-SFYZADRCSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])C(C)(C)C 41051899 573821408 /nfs/dbraw/zinc/82/14/08/573821408.db2.gz ZYZSXYUAQULPBZ-JGVFFNPUSA-N 0 0 187.283 1.874 10 0 ADAERN CC(=O)Cc1cc(O)c(C)c(O)c1C 238137012 573820664 /nfs/dbraw/zinc/82/06/64/573820664.db2.gz LTJFTYWAEYNMMP-UHFFFAOYSA-N 0 0 194.230 1.846 10 0 ADAERN c1ccc(CCc2ncon2)cc1 79371452 573820702 /nfs/dbraw/zinc/82/07/02/573820702.db2.gz SARQOCVEQPGYLJ-UHFFFAOYSA-N 0 0 174.203 1.855 10 0 ADAERN COC[C@H](CO)C1CCSCC1 258146779 573820725 /nfs/dbraw/zinc/82/07/25/573820725.db2.gz MSTKDKBHXROCIQ-VIFPVBQESA-N 0 0 190.308 1.385 10 0 ADAERN COCCCCn1cc(C=O)cn1 131201860 573820736 /nfs/dbraw/zinc/82/07/36/573820736.db2.gz AOULKFOJFLHRRX-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN Cc1c(N)cccc1[C@@H]1CCC(=O)N1 238523940 573820741 /nfs/dbraw/zinc/82/07/41/573820741.db2.gz CYBWIQFNXWEPHJ-JTQLQIEISA-N 0 0 190.246 1.528 10 0 ADAERN CO[C@]1(CO)CCc2cc(C)ccc21 257883420 573820742 /nfs/dbraw/zinc/82/07/42/573820742.db2.gz VUZMPMVBQMTNAD-LBPRGKRZSA-N 0 0 192.258 1.775 10 0 ADAERN CC[C@@H](C)[C@@H]([NH2+]C1CC1)C(=O)[O-] 41050211 573820754 /nfs/dbraw/zinc/82/07/54/573820754.db2.gz MQPJFFIBMXZMIR-HTRCEHHLSA-N 0 0 171.240 1.238 10 0 ADAERN COC[C@]1(C)Cc2c(O)cccc2N1 258146790 573820757 /nfs/dbraw/zinc/82/07/57/573820757.db2.gz LCQJXJYJSNMCEJ-NSHDSACASA-N 0 0 193.246 1.765 10 0 ADAERN Cc1cc2sc(=O)n(C)c2cc1N 238524314 573820780 /nfs/dbraw/zinc/82/07/80/573820780.db2.gz WVGJOXAWCLPXFO-UHFFFAOYSA-N 0 0 194.259 1.491 10 0 ADAERN CC(C)(C)C1=CC(C)(C)[C@@H](O)OC1=O 238137253 573820789 /nfs/dbraw/zinc/82/07/89/573820789.db2.gz VWAUKSYGZQBIIW-VIFPVBQESA-N 0 0 198.262 1.860 10 0 ADAERN Cc1ccc(-c2cnoc2N)c(O)c1 258147805 573820795 /nfs/dbraw/zinc/82/07/95/573820795.db2.gz TUTMUDGEDFRJSI-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN NOCCc1ccc2c(c1F)CCO2 258145488 573820810 /nfs/dbraw/zinc/82/08/10/573820810.db2.gz SYKFZKDNQPJAJY-UHFFFAOYSA-N 0 0 197.209 1.193 10 0 ADAERN CC[C@H](C)[C@@H](CO)NCC(F)(F)F 41050477 573820832 /nfs/dbraw/zinc/82/08/32/573820832.db2.gz PLXKJBQALBAJGX-NKWVEPMBSA-N 0 0 199.216 1.545 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nnc(CN)s1 125189930 573820844 /nfs/dbraw/zinc/82/08/44/573820844.db2.gz KGKQTNCGILQQDH-IYSWYEEDSA-N 0 0 199.279 1.094 10 0 ADAERN CC(=O)c1ccc(O[C@@H](C)CO)cc1 308447801 573820887 /nfs/dbraw/zinc/82/08/87/573820887.db2.gz AGDMXXZWEAZCLW-QMMMGPOBSA-N 0 0 194.230 1.649 10 0 ADAERN Clc1cnccc1CNC1COC1 87195427 573820924 /nfs/dbraw/zinc/82/09/24/573820924.db2.gz WGOWQYZCHDJJMO-UHFFFAOYSA-N 0 0 198.653 1.223 10 0 ADAERN OCC[C@H]1COc2ccc(O)cc21 258145869 573820927 /nfs/dbraw/zinc/82/09/27/573820927.db2.gz QQQCWDDAHWIYGA-ZETCQYMHSA-N 0 0 180.203 1.251 10 0 ADAERN CC(=O)c1ccc(=O)oc1C 238138810 573820945 /nfs/dbraw/zinc/82/09/45/573820945.db2.gz FNFVMLBMWQDJHY-UHFFFAOYSA-N 0 0 152.149 1.151 10 0 ADAERN C=Cc1cnc2ccccn2c1=O 238138865 573820967 /nfs/dbraw/zinc/82/09/67/573820967.db2.gz JNHSWYIWLDAQDM-UHFFFAOYSA-N 0 0 172.187 1.338 10 0 ADAERN Cn1c(C=O)nc2ccc(Cl)nc21 238530638 573820995 /nfs/dbraw/zinc/82/09/95/573820995.db2.gz MBXLPEDJUVXZFC-UHFFFAOYSA-N 0 0 195.609 1.434 10 0 ADAERN FC(F)Oc1c[nH]cn1 238524460 573820999 /nfs/dbraw/zinc/82/09/99/573820999.db2.gz ZAIXUZAHXIMSFL-UHFFFAOYSA-N 0 0 134.085 1.011 10 0 ADAERN CC(C)C[C@@H](C)[C@H](O)c1cnn(C)n1 308447246 573821000 /nfs/dbraw/zinc/82/10/00/573821000.db2.gz BAHBNOUSLODQBN-SCZZXKLOSA-N 0 0 197.282 1.531 10 0 ADAERN CC(C)(C)C1=CC[C@H]1O 238137949 573821001 /nfs/dbraw/zinc/82/10/01/573821001.db2.gz FVIAYKDDDSEBOU-SSDOTTSWSA-N 0 0 126.199 1.724 10 0 ADAERN CC(=O)[C@@H]1CC[C@H](C)[C@@H](O)C1 143486261 573821052 /nfs/dbraw/zinc/82/10/52/573821052.db2.gz HRRFEPUZFUHYGX-ZQARSLAVSA-N 0 0 156.225 1.373 10 0 ADAERN CCCc1ncc2c(O)cccn12 258147636 573821072 /nfs/dbraw/zinc/82/10/72/573821072.db2.gz HPOAGUGHDCJQPY-UHFFFAOYSA-N 0 0 176.219 1.992 10 0 ADAERN CCNC(=O)N[C@@H](C)c1nccs1 122772753 573821096 /nfs/dbraw/zinc/82/10/96/573821096.db2.gz DBSOBFBSPXCQAE-LURJTMIESA-N 0 0 199.279 1.523 10 0 ADAERN CC(=O)[C@@H](CO)c1cc(C)oc1C 238136718 573821131 /nfs/dbraw/zinc/82/11/31/573821131.db2.gz XUXPEZQCVXGHLR-SNVBAGLBSA-N 0 0 182.219 1.561 10 0 ADAERN CO[C@H](c1noc([C@@H](C)N)n1)C(C)C 131198111 573821135 /nfs/dbraw/zinc/82/11/35/573821135.db2.gz GKCVJOXQNAGNIW-RQJHMYQMSA-N 0 0 199.254 1.433 10 0 ADAERN CC(=O)OC1=C[C@@H]2CC(=O)C[C@H]2C1 238138514 573821140 /nfs/dbraw/zinc/82/11/40/573821140.db2.gz RNCWZAMUKFRWOY-YUMQZZPRSA-N 0 0 180.203 1.432 10 0 ADAERN Cc1oc(CN)nc1C1CCC1 258435366 573821154 /nfs/dbraw/zinc/82/11/54/573821154.db2.gz DKZIDUXBUSXWRP-UHFFFAOYSA-N 0 0 166.224 1.709 10 0 ADAERN CC(=O)Nc1ccc(SC=O)cc1 259202570 573821160 /nfs/dbraw/zinc/82/11/60/573821160.db2.gz KTECZTKCKXOKMU-UHFFFAOYSA-N 0 0 195.243 1.927 10 0 ADAERN CNc1cc(C)c(N)c(C(=O)OC)c1 87185517 573821163 /nfs/dbraw/zinc/82/11/63/573821163.db2.gz PIFOLXSLNHXDKM-UHFFFAOYSA-N 0 0 194.234 1.406 10 0 ADAERN COC(=O)C(F)(F)C(=O)C1CCC1 257883387 573821174 /nfs/dbraw/zinc/82/11/74/573821174.db2.gz VUAJQXJOKADYBH-UHFFFAOYSA-N 0 0 192.161 1.164 10 0 ADAERN CC[C@@H](C)[C@@H]([NH2+]CC1CC1)C(=O)[O-] 41050343 573821180 /nfs/dbraw/zinc/82/11/80/573821180.db2.gz YVMNPBSEZFJZKJ-VXNVDRBHSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)N[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C 238134879 573821198 /nfs/dbraw/zinc/82/11/98/573821198.db2.gz UJGQIZBMSJYRAL-QXEWZRGKSA-N 0 0 197.278 1.062 10 0 ADAERN C[NH2+]C[C@@H]1CCCC[C@@H]1C(=O)[O-] 84306965 573821245 /nfs/dbraw/zinc/82/12/45/573821245.db2.gz KXDUMBDYPAZTAY-YUMQZZPRSA-N 0 0 171.240 1.097 10 0 ADAERN C[C@H](O)Cc1cccc2oc(=O)[nH]c12 258147853 573821264 /nfs/dbraw/zinc/82/12/64/573821264.db2.gz TVNVQDUICRPPDG-LURJTMIESA-N 0 0 193.202 1.457 10 0 ADAERN Clc1nccn1[C@@H]1CCCO1 84302235 573821298 /nfs/dbraw/zinc/82/12/98/573821298.db2.gz ITJOILNJTQRLJT-LURJTMIESA-N 0 0 172.615 1.846 10 0 ADAERN Nc1cc(O)ccc1C[C@@H]1CCCO1 257883558 573821299 /nfs/dbraw/zinc/82/12/99/573821299.db2.gz VYAMOQGITLOWHK-JTQLQIEISA-N 0 0 193.246 1.696 10 0 ADAERN CC(C)(C)C1=N[C@](C)(CO)CO1 238139470 573821316 /nfs/dbraw/zinc/82/13/16/573821316.db2.gz HAXDXHSBVBQKHO-SECBINFHSA-N 0 0 171.240 1.212 10 0 ADAERN Cc1cc(C(N)=O)cc(C(F)F)n1 238523315 573821332 /nfs/dbraw/zinc/82/13/32/573821332.db2.gz GPLAKHOOTBBURL-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN C[NH2+]C[C@H]1CCCC[C@@H]1C(=O)[O-] 84306968 573821348 /nfs/dbraw/zinc/82/13/48/573821348.db2.gz KXDUMBDYPAZTAY-SFYZADRCSA-N 0 0 171.240 1.097 10 0 ADAERN COCC(=O)OCCCCC1CC1 308447049 573821351 /nfs/dbraw/zinc/82/13/51/573821351.db2.gz BVDUTFBYHYKUPI-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CCn1cc(C2CC(=O)C2)cn1 87199327 573822396 /nfs/dbraw/zinc/82/23/96/573822396.db2.gz ZPYAEJCVGZLMJP-UHFFFAOYSA-N 0 0 164.208 1.350 10 0 ADAERN CC(=O)CN(C)c1ccccn1 258963502 573822399 /nfs/dbraw/zinc/82/23/99/573822399.db2.gz TXPNIFWOQLOQEO-UHFFFAOYSA-N 0 0 164.208 1.107 10 0 ADAERN Cc1ccc(-c2nc(CCO)no2)o1 257885407 573822433 /nfs/dbraw/zinc/82/24/33/573822433.db2.gz BVBNIEHQUCQWTK-UHFFFAOYSA-N 0 0 194.190 1.173 10 0 ADAERN COc1c([C@H](O)C(C)C)c(C)nn1C 87198623 573822467 /nfs/dbraw/zinc/82/24/67/573822467.db2.gz BBMBBKFRXWPYLV-SECBINFHSA-N 0 0 198.266 1.427 10 0 ADAERN CCn1nc(C)c(C2CC(O)C2)c1C 87200185 573822472 /nfs/dbraw/zinc/82/24/72/573822472.db2.gz FJLZDWZWDFZGRR-UHFFFAOYSA-N 0 0 194.278 1.758 10 0 ADAERN O=C([O-])CC[NH2+][C@H]1C=CCCCCC1 308447819 573822474 /nfs/dbraw/zinc/82/24/74/573822474.db2.gz AANUUNAQUJVKFB-JTQLQIEISA-N 0 0 197.278 1.940 10 0 ADAERN CC(=O)C[C@H]1CCC[C@@H]1NC(C)=O 238129541 573822476 /nfs/dbraw/zinc/82/24/76/573822476.db2.gz XRHZLRSUMSYWJV-ZJUUUORDSA-N 0 0 183.251 1.270 10 0 ADAERN COC(=O)[C@@H](NC1CC1)C(C)(C)C 41051802 573822511 /nfs/dbraw/zinc/82/25/11/573822511.db2.gz NSQRZEPFHZOJJJ-MRVPVSSYSA-N 0 0 185.267 1.326 10 0 ADAERN CC(=O)[C@@H](N)c1c(C)cccc1CO 238139730 573822518 /nfs/dbraw/zinc/82/25/18/573822518.db2.gz BTAHWBJKMHSGIL-LLVKDONJSA-N 0 0 193.246 1.076 10 0 ADAERN Cc1cc2occc2c(C=O)n1 238523913 573822526 /nfs/dbraw/zinc/82/25/26/573822526.db2.gz OVDKUPDKPIAKKR-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN Cc1cc2oc(C)nc2c(=O)[nH]1 238523351 573822537 /nfs/dbraw/zinc/82/25/37/573822537.db2.gz PHYSNEPHVWKANP-UHFFFAOYSA-N 0 0 164.164 1.133 10 0 ADAERN C[NH2+]C[C@@H]1CCCC[C@H]1C(=O)[O-] 84306973 573822563 /nfs/dbraw/zinc/82/25/63/573822563.db2.gz KXDUMBDYPAZTAY-JGVFFNPUSA-N 0 0 171.240 1.097 10 0 ADAERN CC[C@H](O)c1c(C)nn(C)c1OC 87198619 573822614 /nfs/dbraw/zinc/82/26/14/573822614.db2.gz YLDSQJKXSZHVLU-ZETCQYMHSA-N 0 0 184.239 1.181 10 0 ADAERN OC1CC(c2ccsc2)C1 87200299 573822620 /nfs/dbraw/zinc/82/26/20/573822620.db2.gz FFZQSXLJYHTVIG-UHFFFAOYSA-N 0 0 154.234 1.986 10 0 ADAERN OC1CC(c2ccccn2)C1 87200166 573822627 /nfs/dbraw/zinc/82/26/27/573822627.db2.gz CLWMBQYHAMQQJB-UHFFFAOYSA-N 0 0 149.193 1.320 10 0 ADAERN COC(=O)C(C)(C)NCC(C)(C)C 41051323 573822643 /nfs/dbraw/zinc/82/26/43/573822643.db2.gz MIWWPALBXFRUDH-UHFFFAOYSA-N 0 0 187.283 1.574 10 0 ADAERN CC(=O)c1ccc(O[C@H](C)CO)cc1 308447799 573822644 /nfs/dbraw/zinc/82/26/44/573822644.db2.gz AGDMXXZWEAZCLW-MRVPVSSYSA-N 0 0 194.230 1.649 10 0 ADAERN CC[C@@H](C)[C@H]([NH2+]CC(C)C)C(=O)[O-] 41050329 573822658 /nfs/dbraw/zinc/82/26/58/573822658.db2.gz MXLCEJWGYZUSKT-BDAKNGLRSA-N 0 0 187.283 1.731 10 0 ADAERN O=C1CC(c2cncc(F)c2)C1 87199368 573822666 /nfs/dbraw/zinc/82/26/66/573822666.db2.gz YPZYATLVJULFBU-UHFFFAOYSA-N 0 0 165.167 1.667 10 0 ADAERN CC[C@@H](O)c1c(C)nn(C)c1OC 87198621 573822715 /nfs/dbraw/zinc/82/27/15/573822715.db2.gz YLDSQJKXSZHVLU-SSDOTTSWSA-N 0 0 184.239 1.181 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]2CC1=O 238129941 573822758 /nfs/dbraw/zinc/82/27/58/573822758.db2.gz NIMMMKALRMUADS-IVZWLZJFSA-N 0 0 195.262 1.270 10 0 ADAERN CC[C@H](C)[C@@H]([NH2+]C1CC1)C(=O)[O-] 41050212 573822781 /nfs/dbraw/zinc/82/27/81/573822781.db2.gz MQPJFFIBMXZMIR-POYBYMJQSA-N 0 0 171.240 1.238 10 0 ADAERN C[Si](C)(C)CCCS(N)(=O)=O 238523594 573822808 /nfs/dbraw/zinc/82/28/08/573822808.db2.gz LMFGYIHQIGVBKU-UHFFFAOYSA-N 0 0 195.360 1.003 10 0 ADAERN CC[C@H](O)C(=O)NC1(CC)CCC1 308447448 573822833 /nfs/dbraw/zinc/82/28/33/573822833.db2.gz BZWGLGKCWNGBJF-QMMMGPOBSA-N 0 0 185.267 1.206 10 0 ADAERN C/C=C/C(=O)Nn1cccc1 87198208 573822879 /nfs/dbraw/zinc/82/28/79/573822879.db2.gz XGBWSPLNOOAGCE-GORDUTHDSA-N 0 0 150.181 1.134 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H](c2ccccc2)O1 238129789 573822900 /nfs/dbraw/zinc/82/29/00/573822900.db2.gz CMWZGSBIEDSBMA-QWRGUYRKSA-N 0 0 191.230 1.610 10 0 ADAERN Cc1nn(C)cc1C1CC(=O)C1 87199325 573822915 /nfs/dbraw/zinc/82/29/15/573822915.db2.gz LLSXKVANMRORND-UHFFFAOYSA-N 0 0 164.208 1.175 10 0 ADAERN COCCCCn1cc([C@@H](C)O)cn1 131208227 573822929 /nfs/dbraw/zinc/82/29/29/573822929.db2.gz HIXZXQDLJYVIQC-SECBINFHSA-N 0 0 198.266 1.363 10 0 ADAERN CCC[C@H](C)C(=O)N[C@H](C)[C@@H](C)O 393592691 573822980 /nfs/dbraw/zinc/82/29/80/573822980.db2.gz XPMWPLNAPQAJIE-DJLDLDEBSA-N 0 0 187.283 1.308 10 0 ADAERN CC(C)COC(=O)NCc1cc[nH]n1 40693304 573822981 /nfs/dbraw/zinc/82/29/81/573822981.db2.gz HALPRPQFQKBVLD-UHFFFAOYSA-N 0 0 197.238 1.292 10 0 ADAERN CC[C@@](C)(CO)COC(C)C 393592552 573823028 /nfs/dbraw/zinc/82/30/28/573823028.db2.gz QVCYBNYAPBMRMF-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN OC1CC(c2cccnc2)C1 87200276 573823047 /nfs/dbraw/zinc/82/30/47/573823047.db2.gz CEIGMAUWAMUPMC-UHFFFAOYSA-N 0 0 149.193 1.320 10 0 ADAERN CC(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C 238131075 573823068 /nfs/dbraw/zinc/82/30/68/573823068.db2.gz JIEQZLAZMFBNFH-KXUCPTDWSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1nn(C)c(Cl)c1[C@@H](C)O 87198526 573823076 /nfs/dbraw/zinc/82/30/76/573823076.db2.gz XKLTVNIAMQUXBY-RXMQYKEDSA-N 0 0 174.631 1.435 10 0 ADAERN Cc1nc(C=O)sc1Cl 84305838 573823078 /nfs/dbraw/zinc/82/30/78/573823078.db2.gz CETPRBUBVZEGIN-UHFFFAOYSA-N 0 0 161.613 1.917 10 0 ADAERN COc1cnn(C)c1[C@H](O)C1CCC1 122799965 573823079 /nfs/dbraw/zinc/82/30/79/573823079.db2.gz AEIJPIHVLLXVIK-SNVBAGLBSA-N 0 0 196.250 1.262 10 0 ADAERN CC[C@@H](C)[N@@H+]1CCC/C(=C/C(=O)[O-])C1 259202794 573823105 /nfs/dbraw/zinc/82/31/05/573823105.db2.gz NDUQAYCXKWIKAZ-SBMLRHLQSA-N 0 0 197.278 1.892 10 0 ADAERN CSc1cnn(C(C)(C)C)c1N 87196126 573823106 /nfs/dbraw/zinc/82/31/06/573823106.db2.gz NPCHEBUMVUPNRT-UHFFFAOYSA-N 0 0 185.296 1.942 10 0 ADAERN COCCCCn1cc([C@H](C)O)cn1 131208016 573823212 /nfs/dbraw/zinc/82/32/12/573823212.db2.gz HIXZXQDLJYVIQC-VIFPVBQESA-N 0 0 198.266 1.363 10 0 ADAERN CCn1cc([C@H](O)C=C(C)C)cn1 87198873 573823122 /nfs/dbraw/zinc/82/31/22/573823122.db2.gz DWGALVUJJZELKE-SNVBAGLBSA-N 0 0 180.251 1.903 10 0 ADAERN CC(=O)S[C@@H](O)c1ccccc1 238130689 573823158 /nfs/dbraw/zinc/82/31/58/573823158.db2.gz KUMORMPKFXCZPK-SECBINFHSA-N 0 0 182.244 1.957 10 0 ADAERN NNCNc1ccc2c(c1)CCCC2 259204346 573823159 /nfs/dbraw/zinc/82/31/59/573823159.db2.gz WUDTTXDQMGRPOL-UHFFFAOYSA-N 0 0 191.278 1.398 10 0 ADAERN Cc1nn(C)c(Cl)c1[C@H](C)O 87198528 573823178 /nfs/dbraw/zinc/82/31/78/573823178.db2.gz XKLTVNIAMQUXBY-YFKPBYRVSA-N 0 0 174.631 1.435 10 0 ADAERN CC[C@](C)(CO)COC(C)C 393592551 573823195 /nfs/dbraw/zinc/82/31/95/573823195.db2.gz QVCYBNYAPBMRMF-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)CCc1ncncc1O 238130706 573823197 /nfs/dbraw/zinc/82/31/97/573823197.db2.gz APZJKCADGGBUMC-UHFFFAOYSA-N 0 0 166.224 1.771 10 0 ADAERN CC(C)(C)[C@@H](N)C(=O)c1cncnc1 122777951 573825064 /nfs/dbraw/zinc/82/50/64/573825064.db2.gz ICFSEUSWNJHXQU-VIFPVBQESA-N 0 0 193.250 1.033 10 0 ADAERN COc1cc([C@@H](C)O)oc(=O)c1C 198593153 573825081 /nfs/dbraw/zinc/82/50/81/573825081.db2.gz AVNQQAWDCPSNKU-ZCFIWIBFSA-N 0 0 184.191 1.010 10 0 ADAERN CC[C@H](CC1CC1)NC=CC(=O)OC 308444402 573825107 /nfs/dbraw/zinc/82/51/07/573825107.db2.gz MSYHMOZYXDVWEU-JYESYGNLSA-N 0 0 197.278 1.841 10 0 ADAERN C=Cc1c[nH]c(=S)[nH]c1=O 238131120 573825114 /nfs/dbraw/zinc/82/51/14/573825114.db2.gz GKZDAROEPNKPKP-UHFFFAOYSA-N 0 0 154.194 1.075 10 0 ADAERN C[C@@]12C=CCC(=O)[C@@H]1CC2 238526379 573824342 /nfs/dbraw/zinc/82/43/42/573824342.db2.gz KDEDTBZUCWIUOJ-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN CCOC[C@@H](O)c1ncccc1F 131210563 573824343 /nfs/dbraw/zinc/82/43/43/573824343.db2.gz CGWDCLOAGRODML-MRVPVSSYSA-N 0 0 185.198 1.291 10 0 ADAERN Cc1ccc([C@@H]2NN=C(N)S2)o1 238524752 573825116 /nfs/dbraw/zinc/82/51/16/573825116.db2.gz HVQGUZWDYKUKNP-ZCFIWIBFSA-N 0 0 183.236 1.153 10 0 ADAERN CC(=O)C[C@H]1CC[C@H]1F 238130337 573824366 /nfs/dbraw/zinc/82/43/66/573824366.db2.gz FYTPAYTVCXWUHT-RNFRBKRXSA-N 0 0 130.162 1.714 10 0 ADAERN CC1(C)C[C@H]([NH3+])[C@@H]2C[C@@H](C(=O)[O-])[C@@H]2C1 257884492 573824378 /nfs/dbraw/zinc/82/43/78/573824378.db2.gz VYVIIBMHXFSLTG-BGZDPUMWSA-N 0 0 197.278 1.471 10 0 ADAERN CC(=O)SCc1cc(O)ccc1O 238129810 573824398 /nfs/dbraw/zinc/82/43/98/573824398.db2.gz OYWAFGZBXQSEDY-UHFFFAOYSA-N 0 0 198.243 1.878 10 0 ADAERN C[Si](C)(C)CC[C@H]1CC(N)=NO1 238525161 573824415 /nfs/dbraw/zinc/82/44/15/573824415.db2.gz CUKUWJODIGSBEG-ZETCQYMHSA-N 0 0 186.331 1.776 10 0 ADAERN C[C@]1(/C=C\CO)CCCC12OCCO2 215416354 573824472 /nfs/dbraw/zinc/82/44/72/573824472.db2.gz MMAYDABHOKXHSH-TZGMSPROSA-N 0 0 198.262 1.468 10 0 ADAERN C=Cn1ncc(=O)c2ccccc21 238139637 573824477 /nfs/dbraw/zinc/82/44/77/573824477.db2.gz VVQQDXXRLRBYMV-UHFFFAOYSA-N 0 0 172.187 1.497 10 0 ADAERN OC[C@H]1CCCC[C@@H]1Cn1cnnc1 84319908 573824501 /nfs/dbraw/zinc/82/45/01/573824501.db2.gz RSOQMNKXKCNGIH-NXEZZACHSA-N 0 0 195.266 1.077 10 0 ADAERN COC(=O)C[C@@H](CO)C(C)(C)C 257884945 573824502 /nfs/dbraw/zinc/82/45/02/573824502.db2.gz MNPRYTXDFKVASM-ZETCQYMHSA-N 0 0 174.240 1.204 10 0 ADAERN C=C(OC(C)=O)/C(C)=C/CO 238130377 573824531 /nfs/dbraw/zinc/82/45/31/573824531.db2.gz SVGCLQXNACFFKY-GQCTYLIASA-N 0 0 156.181 1.002 10 0 ADAERN CC(=O)C[C@H]1CC[C@]1(C)O 238130389 573824539 /nfs/dbraw/zinc/82/45/39/573824539.db2.gz OKTZCPGPAJXPHD-SFYZADRCSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)C[C@H]1CC[C@H](O)C1 238130308 573824555 /nfs/dbraw/zinc/82/45/55/573824555.db2.gz CRRKDXBKSDFXMU-SFYZADRCSA-N 0 0 142.198 1.127 10 0 ADAERN CCc1ncoc1[C@H](CC)C(=O)OC 259572263 573824562 /nfs/dbraw/zinc/82/45/62/573824562.db2.gz DHZGWDJDPAVTEY-ZETCQYMHSA-N 0 0 197.234 1.904 10 0 ADAERN CC(=O)N[C@@H]1C[C@H]2CCC[C@@H]2CC1=O 238130276 573824572 /nfs/dbraw/zinc/82/45/72/573824572.db2.gz NIMMMKALRMUADS-OPRDCNLKSA-N 0 0 195.262 1.270 10 0 ADAERN ClC=C1OCCCO1 238525265 573824584 /nfs/dbraw/zinc/82/45/84/573824584.db2.gz SUAMXBORXUZCPF-UHFFFAOYSA-N 0 0 134.562 1.461 10 0 ADAERN ClC=C1CC1 238525162 573824589 /nfs/dbraw/zinc/82/45/89/573824589.db2.gz ANWBXURIIGHADI-UHFFFAOYSA-N 0 0 88.537 1.903 10 0 ADAERN C[C@@]12CCC(=O)[C@@H]1[C@@H](O)CC2 238526149 573824596 /nfs/dbraw/zinc/82/45/96/573824596.db2.gz BGVBBEZPCJDKTB-CNUIFLNQSA-N 0 0 154.209 1.127 10 0 ADAERN CC1=CC=CC(=C2NNC(=O)O2)C1=O 238526285 573824604 /nfs/dbraw/zinc/82/46/04/573824604.db2.gz BOCDTTWUSFAQFD-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN Cc1c(N)cnc(C(F)F)c1C=O 238525802 573824620 /nfs/dbraw/zinc/82/46/20/573824620.db2.gz GRPRASUQYUGINW-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C[C@@]1(/C=C\CO)CCCC12OCCO2 215416401 573824633 /nfs/dbraw/zinc/82/46/33/573824633.db2.gz MMAYDABHOKXHSH-ATPLWMGHSA-N 0 0 198.262 1.468 10 0 ADAERN CCn1cc([C@@H](O)C=C(C)C)cn1 87198875 573824636 /nfs/dbraw/zinc/82/46/36/573824636.db2.gz DWGALVUJJZELKE-JTQLQIEISA-N 0 0 180.251 1.903 10 0 ADAERN CC(=O)C[C@H]1C[C@@](C)(O)C1(C)C 238130795 573824639 /nfs/dbraw/zinc/82/46/39/573824639.db2.gz ACWRWPUTIUGXHR-WCBMZHEXSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)(C)Sc1ncnc(N)n1 238129060 573824653 /nfs/dbraw/zinc/82/46/53/573824653.db2.gz XNFGBJSBIOFLCO-UHFFFAOYSA-N 0 0 184.268 1.344 10 0 ADAERN CC(=O)N[C@@H]1C[C@H](c2ccccc2)O1 238130144 573824660 /nfs/dbraw/zinc/82/46/60/573824660.db2.gz CMWZGSBIEDSBMA-MNOVXSKESA-N 0 0 191.230 1.610 10 0 ADAERN Cc1nc2ccc3c(n[nH]n3C)c2n1 238524547 573824673 /nfs/dbraw/zinc/82/46/73/573824673.db2.gz JADHUZUMUSRWIT-UHFFFAOYSA-N 0 0 187.206 1.153 10 0 ADAERN CN(C)c1nc(Br)c[nH]1 257884970 573824680 /nfs/dbraw/zinc/82/46/80/573824680.db2.gz KXVZSAMYCAPOPF-UHFFFAOYSA-N 0 0 190.044 1.238 10 0 ADAERN NN[C@H](C[C@H]1CCCO1)c1ccc[nH]1 308445602 573824712 /nfs/dbraw/zinc/82/47/12/573824712.db2.gz AFFJMSWMVVGIKI-PSASIEDQSA-N 0 0 195.266 1.088 10 0 ADAERN CCCC[C@@H](NC)C(=O)OCC 41053359 573824718 /nfs/dbraw/zinc/82/47/18/573824718.db2.gz SZHWSPDQKNTYRK-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN OC1CC(c2cncc(F)c2)C1 87200302 573824734 /nfs/dbraw/zinc/82/47/34/573824734.db2.gz LUKLOCZQWXDSMW-UHFFFAOYSA-N 0 0 167.183 1.459 10 0 ADAERN COc1ncc([C@H](C)C[C@H](C)O)cn1 308444715 573824737 /nfs/dbraw/zinc/82/47/37/573824737.db2.gz ANTDHIRYCTUEDB-SFYZADRCSA-N 0 0 196.250 1.360 10 0 ADAERN C=Cn1c(C=O)nc2c1CCCC2 238139850 573824738 /nfs/dbraw/zinc/82/47/38/573824738.db2.gz QRDVSKBJNJWSAQ-UHFFFAOYSA-N 0 0 176.219 1.675 10 0 ADAERN Cc1ccc(Nc2nccnn2)cc1 238526506 573824756 /nfs/dbraw/zinc/82/47/56/573824756.db2.gz VNPXLBLUHINDJT-UHFFFAOYSA-N 0 0 186.218 1.924 10 0 ADAERN CC[C@@H](C)[C@H](CO)Nc1cccnn1 308752592 573824789 /nfs/dbraw/zinc/82/47/89/573824789.db2.gz VALSSUAPGJFVSK-BDAKNGLRSA-N 0 0 195.266 1.296 10 0 ADAERN CC(C)=CC1=C(Cl)C(=O)O[C@H]1O 238139611 573824799 /nfs/dbraw/zinc/82/47/99/573824799.db2.gz XTCVOHSHCASLAG-SSDOTTSWSA-N 0 0 188.610 1.321 10 0 ADAERN Cc1cc([C@H]2CNC(=O)C2)c(C)n1C 238526488 573824820 /nfs/dbraw/zinc/82/48/20/573824820.db2.gz LQCNCYVHUNYAHT-SECBINFHSA-N 0 0 192.262 1.245 10 0 ADAERN OC1CC(c2cccs2)C1 87200388 573824821 /nfs/dbraw/zinc/82/48/21/573824821.db2.gz LLBBTJJTBRDZSO-UHFFFAOYSA-N 0 0 154.234 1.986 10 0 ADAERN Cc1cccc(-c2nn(C)nc2N)c1 238526030 573824835 /nfs/dbraw/zinc/82/48/35/573824835.db2.gz OCSRYZRMJPMGLD-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nn(C)c(C)c1C1CC(O)C1 87200354 573824885 /nfs/dbraw/zinc/82/48/85/573824885.db2.gz HCCARTWLFPAMMP-UHFFFAOYSA-N 0 0 180.251 1.275 10 0 ADAERN Cc1cc(F)c(CO)c(C(F)F)n1 238524628 573824886 /nfs/dbraw/zinc/82/48/86/573824886.db2.gz USFXFAWWDORMQO-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(=O)OC(=N)Nc1ccc(F)cc1 238130513 573824890 /nfs/dbraw/zinc/82/48/90/573824890.db2.gz SNCWKTCVKFNDRZ-UHFFFAOYSA-N 0 0 196.181 1.735 10 0 ADAERN Cn1c(CO)cc2ccc(O)cc21 257884088 573824899 /nfs/dbraw/zinc/82/48/99/573824899.db2.gz KGIIOOVAUNHTEQ-UHFFFAOYSA-N 0 0 177.203 1.376 10 0 ADAERN Cc1nc(Cl)c(C=O)cc1F 238530664 573824960 /nfs/dbraw/zinc/82/49/60/573824960.db2.gz KKOKTBZBKLXTRZ-UHFFFAOYSA-N 0 0 173.574 1.995 10 0 ADAERN CC1(C)C[C@@H]1Nc1cccnc1N 122780641 573824983 /nfs/dbraw/zinc/82/49/83/573824983.db2.gz VDVOJAGJUYEFDO-QMMMGPOBSA-N 0 0 177.251 1.874 10 0 ADAERN N=Cc1c[nH]c2ncnc(Cl)c12 238526255 573824984 /nfs/dbraw/zinc/82/49/84/573824984.db2.gz MAWJHDXNVKGLQS-UHFFFAOYSA-N 0 0 180.598 1.609 10 0 ADAERN Cc1cc([C@H]2CNC(=O)C2)c(C)o1 238526499 573824992 /nfs/dbraw/zinc/82/49/92/573824992.db2.gz PUMNNHYSASPKFD-MRVPVSSYSA-N 0 0 179.219 1.500 10 0 ADAERN C[C@H]1CNc2c(N)cccc2OC1 258431905 573824995 /nfs/dbraw/zinc/82/49/95/573824995.db2.gz FTENWBOWEJUGIY-ZETCQYMHSA-N 0 0 178.235 1.709 10 0 ADAERN CC(C)CC1(O)CCC(=O)CC1 84323203 573825009 /nfs/dbraw/zinc/82/50/09/573825009.db2.gz XUESLILGFYUBSO-UHFFFAOYSA-N 0 0 170.252 1.907 10 0 ADAERN Cc1cc2sc(N)nc2nc1F 238524940 573825018 /nfs/dbraw/zinc/82/50/18/573825018.db2.gz XZTGSHPQXGJPEQ-UHFFFAOYSA-N 0 0 183.211 1.721 10 0 ADAERN COc1ncc([C@@H](C)C[C@H](C)O)cn1 308444720 573825021 /nfs/dbraw/zinc/82/50/21/573825021.db2.gz ANTDHIRYCTUEDB-YUMQZZPRSA-N 0 0 196.250 1.360 10 0 ADAERN C[C@]1(CO)CCOCC1(F)F 258431432 573825037 /nfs/dbraw/zinc/82/50/37/573825037.db2.gz CYHSUTHXZPVKIA-ZCFIWIBFSA-N 0 0 166.167 1.041 10 0 ADAERN O=C1CCc2c(Cl)ncnc21 238525955 573825043 /nfs/dbraw/zinc/82/50/43/573825043.db2.gz DDTWPECZVJKKMY-UHFFFAOYSA-N 0 0 168.583 1.259 10 0 ADAERN Cc1nc(Nc2ccccc2)nn1C 238525867 573825050 /nfs/dbraw/zinc/82/50/50/573825050.db2.gz KHKFHFRROLCIFE-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN CC[C@@]1(C)COCCN1[C@H](C)C(C)=O 687948216 573825052 /nfs/dbraw/zinc/82/50/52/573825052.db2.gz ZNBHTOAUGHBKQU-KOLCDFICSA-N 0 0 199.294 1.465 10 0 ADAERN C[C@]12CC[C@H](O)C[C@H]1CC(=O)C2 238525931 573825054 /nfs/dbraw/zinc/82/50/54/573825054.db2.gz ABXBKVFKZYQDCY-OYNCUSHFSA-N 0 0 168.236 1.517 10 0 ADAERN COCC(=O)CCC=C(C)C 43504912 573825993 /nfs/dbraw/zinc/82/59/93/573825993.db2.gz DSFGFANFSCBWDH-UHFFFAOYSA-N 0 0 156.225 1.948 10 0 ADAERN COC[C@H](N)C(F)(F)C(F)(F)F 238355343 573826004 /nfs/dbraw/zinc/82/60/04/573826004.db2.gz FUTXIANYRUGWKY-VKHMYHEASA-N 0 0 193.115 1.158 10 0 ADAERN Cc1cnc(F)c(CO)c1C(F)F 238526052 573826020 /nfs/dbraw/zinc/82/60/20/573826020.db2.gz YXANAAWELRYJIQ-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(=O)C[C@H]1CC[C@@H]1F 238130169 573826034 /nfs/dbraw/zinc/82/60/34/573826034.db2.gz FYTPAYTVCXWUHT-RQJHMYQMSA-N 0 0 130.162 1.714 10 0 ADAERN O=C1Nc2c(O)cccc2OC12CC2 259205641 573825257 /nfs/dbraw/zinc/82/52/57/573825257.db2.gz KZRUMDKNLYVDPG-UHFFFAOYSA-N 0 0 191.186 1.256 10 0 ADAERN CC[C@H](O)c1c(C)nn(C)c1Cl 87198399 573825268 /nfs/dbraw/zinc/82/52/68/573825268.db2.gz UUIOQPKWRYOYBB-LURJTMIESA-N 0 0 188.658 1.825 10 0 ADAERN CC(C)Sc1cnn(C)c1N 87196210 573825274 /nfs/dbraw/zinc/82/52/74/573825274.db2.gz YARRBKONEXEKMJ-UHFFFAOYSA-N 0 0 171.269 1.503 10 0 ADAERN C[C@@]1(CO)CCOCC1(F)F 258431429 573825284 /nfs/dbraw/zinc/82/52/84/573825284.db2.gz CYHSUTHXZPVKIA-LURJTMIESA-N 0 0 166.167 1.041 10 0 ADAERN OC1CC(c2ccc3c(c2)COC3)C1 87200339 573825318 /nfs/dbraw/zinc/82/53/18/573825318.db2.gz KGOBAPMPSFVPND-UHFFFAOYSA-N 0 0 190.242 1.955 10 0 ADAERN CCn1ncc(SC)c1N 87196147 573825327 /nfs/dbraw/zinc/82/53/27/573825327.db2.gz UKSSMUAXDNZVIN-UHFFFAOYSA-N 0 0 157.242 1.207 10 0 ADAERN [NH3+][C@H](C[C@@H](F)c1ccccc1)C(=O)[O-] 257884662 573825338 /nfs/dbraw/zinc/82/53/38/573825338.db2.gz WBCWAOROYPPNRU-RKDXNWHRSA-N 0 0 197.209 1.499 10 0 ADAERN Cc1cc([C@H]2CNC(=O)C2)c(C)s1 238526512 573825361 /nfs/dbraw/zinc/82/53/61/573825361.db2.gz NXKJVHZKYFUOIZ-MRVPVSSYSA-N 0 0 195.287 1.968 10 0 ADAERN Cc1c(N)ccnc1C(F)F 238525555 573825368 /nfs/dbraw/zinc/82/53/68/573825368.db2.gz ZFLCWCACQNLGGP-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CC[C@]1(C)COCCN1[C@@H](C)C(C)=O 687948213 573825386 /nfs/dbraw/zinc/82/53/86/573825386.db2.gz ZNBHTOAUGHBKQU-GXSJLCMTSA-N 0 0 199.294 1.465 10 0 ADAERN O=C1CCCc2c(Cl)ncnc21 238525939 573825387 /nfs/dbraw/zinc/82/53/87/573825387.db2.gz ZALIHIRGWBZASH-UHFFFAOYSA-N 0 0 182.610 1.649 10 0 ADAERN CC(C)n1[nH]c(=O)c2c1COC2 258431640 573825389 /nfs/dbraw/zinc/82/53/89/573825389.db2.gz DAMQAFVYMGNCLE-UHFFFAOYSA-N 0 0 168.196 1.200 10 0 ADAERN CCSc1cnn(CC)c1N 87196246 573825390 /nfs/dbraw/zinc/82/53/90/573825390.db2.gz YYPNKHSOWMEIHT-UHFFFAOYSA-N 0 0 171.269 1.597 10 0 ADAERN CC(=O)c1cc(C(C)=O)nc(C)n1 238128996 573825391 /nfs/dbraw/zinc/82/53/91/573825391.db2.gz YSEKOOQBXAWVNZ-UHFFFAOYSA-N 0 0 178.191 1.190 10 0 ADAERN CCCC[C@H](NC)C(=O)OCC 41053358 573825402 /nfs/dbraw/zinc/82/54/02/573825402.db2.gz SZHWSPDQKNTYRK-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN CN(CC(F)F)[C@@H]1CCC[C@H](O)C1 122796174 573825408 /nfs/dbraw/zinc/82/54/08/573825408.db2.gz KHROOFYGOUNNDD-SFYZADRCSA-N 0 0 193.237 1.487 10 0 ADAERN CCSc1cnn(C)c1N 87196209 573825414 /nfs/dbraw/zinc/82/54/14/573825414.db2.gz ZLSXQZPAAUZJOI-UHFFFAOYSA-N 0 0 157.242 1.114 10 0 ADAERN CC[C@@H](CC1CC1)NC=CC(=O)OC 308444398 573825422 /nfs/dbraw/zinc/82/54/22/573825422.db2.gz MSYHMOZYXDVWEU-GFVADAIESA-N 0 0 197.278 1.841 10 0 ADAERN C[C@]12CC[C@H](O)C[C@@H]1CC(=O)C2 238525903 573825425 /nfs/dbraw/zinc/82/54/25/573825425.db2.gz ABXBKVFKZYQDCY-KHQFGBGNSA-N 0 0 168.236 1.517 10 0 ADAERN CC(=O)Cn1ccc(=S)cc1 238140068 573825462 /nfs/dbraw/zinc/82/54/62/573825462.db2.gz MNUFXSMLRIUWGZ-UHFFFAOYSA-N 0 0 167.233 1.807 10 0 ADAERN O=c1nc([C@@H]2CCCS2)o[nH]1 257883960 573825473 /nfs/dbraw/zinc/82/54/73/573825473.db2.gz BQUWECGYNQGWSO-BYPYZUCNSA-N 0 0 172.209 1.343 10 0 ADAERN CC[C@]1(C)COCCN1[C@H](C)C(C)=O 687948218 573825493 /nfs/dbraw/zinc/82/54/93/573825493.db2.gz ZNBHTOAUGHBKQU-MWLCHTKSSA-N 0 0 199.294 1.465 10 0 ADAERN COc1cc([C@@H](C)[C@@H](C)O)oc(=O)c1 198593259 573825531 /nfs/dbraw/zinc/82/55/31/573825531.db2.gz YHUYXKZLGRZKAJ-NKWVEPMBSA-N 0 0 198.218 1.133 10 0 ADAERN CC1(C)C[C@H]([NH3+])[C@@H]2C[C@H](C(=O)[O-])[C@H]2C1 257884503 573825534 /nfs/dbraw/zinc/82/55/34/573825534.db2.gz VYVIIBMHXFSLTG-XGEHTFHBSA-N 0 0 197.278 1.471 10 0 ADAERN CC[C@@]1(C)COCCN1[C@@H](C)C(C)=O 687948219 573825578 /nfs/dbraw/zinc/82/55/78/573825578.db2.gz ZNBHTOAUGHBKQU-ONGXEEELSA-N 0 0 199.294 1.465 10 0 ADAERN C[C@@]12CC(=O)OC1=CCCC2=O 222711574 573825600 /nfs/dbraw/zinc/82/56/00/573825600.db2.gz NMXKTSBWUVVVRL-VIFPVBQESA-N 0 0 166.176 1.186 10 0 ADAERN Brc1ncc2ncccn12 257884448 573825604 /nfs/dbraw/zinc/82/56/04/573825604.db2.gz VYNZRIKECCIIJS-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN CN(C)c1cccc(Cl)c1CCO 258148732 573825664 /nfs/dbraw/zinc/82/56/64/573825664.db2.gz OQZFZXZJVHKIEN-UHFFFAOYSA-N 0 0 199.681 1.941 10 0 ADAERN Cc1c(N)cnc(C(F)F)c1O 238525980 573825666 /nfs/dbraw/zinc/82/56/66/573825666.db2.gz XHXCWZRFGGMWPL-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN OCc1cnoc1C[C@@H]1CCSC1 258431846 573825667 /nfs/dbraw/zinc/82/56/67/573825667.db2.gz FSVWINUVGXNSDB-ZETCQYMHSA-N 0 0 199.275 1.463 10 0 ADAERN CC[C@@H](C)[C@@H](CO)Nc1cccnn1 308752595 573825673 /nfs/dbraw/zinc/82/56/73/573825673.db2.gz VALSSUAPGJFVSK-RKDXNWHRSA-N 0 0 195.266 1.296 10 0 ADAERN Cn1c(=O)cnc2cccc(F)c21 238525298 573825699 /nfs/dbraw/zinc/82/56/99/573825699.db2.gz NYPPEROOQRCZLV-UHFFFAOYSA-N 0 0 178.166 1.073 10 0 ADAERN Cn1c(=O)cnc2cccc(Cl)c21 238525282 573825704 /nfs/dbraw/zinc/82/57/04/573825704.db2.gz UCNIRQLRRARHPQ-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN Cc1ccc(NCNN)c(C)c1C 258964259 573825705 /nfs/dbraw/zinc/82/57/05/573825705.db2.gz BAICYQLPOCLOKR-UHFFFAOYSA-N 0 0 179.267 1.445 10 0 ADAERN Cc1c(N)cnc(CO)c1C(F)F 238526197 573825719 /nfs/dbraw/zinc/82/57/19/573825719.db2.gz CGSCGLGEYITLNL-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN O[C@@H]1CC[C@H](O[C@@H]2CCCCO2)C1 198597474 573825733 /nfs/dbraw/zinc/82/57/33/573825733.db2.gz OCEIJRRNMZBRNC-KXUCPTDWSA-N 0 0 186.251 1.443 10 0 ADAERN Cn1c(=O)cnc2ccc(F)cc21 238525230 573825742 /nfs/dbraw/zinc/82/57/42/573825742.db2.gz STYKWDCQOONTBY-UHFFFAOYSA-N 0 0 178.166 1.073 10 0 ADAERN CC(=O)c1cc(C)c(C=O)cn1 238130627 573825748 /nfs/dbraw/zinc/82/57/48/573825748.db2.gz VLXAJIVJHRVVLP-UHFFFAOYSA-N 0 0 163.176 1.405 10 0 ADAERN Cc1ccccc1CCN(C)C#N 259622826 573825750 /nfs/dbraw/zinc/82/57/50/573825750.db2.gz BQRBCWVBHZSPOO-UHFFFAOYSA-N 0 0 174.247 1.950 10 0 ADAERN O=C1CCC(O)(c2ccoc2)CC1 84323109 573825755 /nfs/dbraw/zinc/82/57/55/573825755.db2.gz NXKBQDJDCIRHDA-UHFFFAOYSA-N 0 0 180.203 1.610 10 0 ADAERN Cn1c(=O)cnc2c(F)cccc21 238525078 573825759 /nfs/dbraw/zinc/82/57/59/573825759.db2.gz GEBZCQWMLVAGJH-UHFFFAOYSA-N 0 0 178.166 1.073 10 0 ADAERN C[C@@H]1CNc2c(N)cccc2OC1 258431901 573825765 /nfs/dbraw/zinc/82/57/65/573825765.db2.gz FTENWBOWEJUGIY-SSDOTTSWSA-N 0 0 178.235 1.709 10 0 ADAERN C[C@@]12C=C[C@@H](CC1)C2=O 238524979 573825766 /nfs/dbraw/zinc/82/57/66/573825766.db2.gz VUZZUWLFWKUMMB-POYBYMJQSA-N 0 0 122.167 1.542 10 0 ADAERN CC(=O)C[C@H]1CC[C@@H](O)C1 238130141 573825768 /nfs/dbraw/zinc/82/57/68/573825768.db2.gz CRRKDXBKSDFXMU-HTQZYQBOSA-N 0 0 142.198 1.127 10 0 ADAERN NN[C@@H](C[C@H]1CCCO1)c1ccc[nH]1 308445606 573825783 /nfs/dbraw/zinc/82/57/83/573825783.db2.gz AFFJMSWMVVGIKI-SCZZXKLOSA-N 0 0 195.266 1.088 10 0 ADAERN Oc1ccccc1[C@@]1(O)CCOC1 257884922 573825790 /nfs/dbraw/zinc/82/57/90/573825790.db2.gz MNEHRUSDCPZJIY-SNVBAGLBSA-N 0 0 180.203 1.000 10 0 ADAERN Cc1c(N)ccnc1C(F)(F)F 238525537 573825810 /nfs/dbraw/zinc/82/58/10/573825810.db2.gz QFOHOAKSKFYSFE-UHFFFAOYSA-N 0 0 176.141 1.991 10 0 ADAERN CCN(C)c1ccc(N)cc1OC 222710730 573825822 /nfs/dbraw/zinc/82/58/22/573825822.db2.gz XUNNCWQTQSIVQQ-UHFFFAOYSA-N 0 0 180.251 1.734 10 0 ADAERN CCOc1ncnc(SC)c1N 87206513 573825826 /nfs/dbraw/zinc/82/58/26/573825826.db2.gz WJANGSUDBFOLOM-UHFFFAOYSA-N 0 0 185.252 1.179 10 0 ADAERN COc1cc(Cl)c(O)cc1C=O 257884915 573825860 /nfs/dbraw/zinc/82/58/60/573825860.db2.gz MMYJGFVMVDGLIR-UHFFFAOYSA-N 0 0 186.594 1.867 10 0 ADAERN Cc1cc(=O)n2cc(F)ccc2n1 238525280 573825871 /nfs/dbraw/zinc/82/58/71/573825871.db2.gz AZDBMGQAMGUNKP-UHFFFAOYSA-N 0 0 178.166 1.142 10 0 ADAERN COc1ncc([C@H](C)C[C@@H](C)O)cn1 308444705 573825892 /nfs/dbraw/zinc/82/58/92/573825892.db2.gz ANTDHIRYCTUEDB-HTQZYQBOSA-N 0 0 196.250 1.360 10 0 ADAERN CCCC[C@H]([NH2+]CC)C(=O)[O-] 41053340 573825897 /nfs/dbraw/zinc/82/58/97/573825897.db2.gz IIVUKYTTXBEJRB-ZETCQYMHSA-N 0 0 159.229 1.239 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CCCCNC1=O 238130862 573825900 /nfs/dbraw/zinc/82/59/00/573825900.db2.gz HQTSJHYOMMVHAF-QMMMGPOBSA-N 0 0 197.278 1.518 10 0 ADAERN O=C1C[C@@H](c2cccnc2Cl)CN1 238524575 573825902 /nfs/dbraw/zinc/82/59/02/573825902.db2.gz IWSACFZKXFKRPJ-ZCFIWIBFSA-N 0 0 196.637 1.339 10 0 ADAERN Nc1c(C2CCC2)nnn1C1CCC1 257884570 573825910 /nfs/dbraw/zinc/82/59/10/573825910.db2.gz VZUOHIPFBWDBFU-UHFFFAOYSA-N 0 0 192.266 1.853 10 0 ADAERN COC(=O)C[C@H](CO)C(C)(C)C 257884938 573825917 /nfs/dbraw/zinc/82/59/17/573825917.db2.gz MNPRYTXDFKVASM-SSDOTTSWSA-N 0 0 174.240 1.204 10 0 ADAERN CC(=O)N[C@@H]1OC=C[C@@H]2CCC[C@@H]21 238130816 573825932 /nfs/dbraw/zinc/82/59/32/573825932.db2.gz WEUHTVXTRJLGFC-LPEHRKFASA-N 0 0 181.235 1.409 10 0 ADAERN c1cn2nc(C3CCC3)ccc2n1 258964213 573825936 /nfs/dbraw/zinc/82/59/36/573825936.db2.gz CHZXVTUTNSQNLU-UHFFFAOYSA-N 0 0 173.219 1.997 10 0 ADAERN C/C=C\[C@@H](O)C(F)(F)C(=O)OCC 214958918 573825939 /nfs/dbraw/zinc/82/59/39/573825939.db2.gz WROWHWZYZZBAGX-CWVDAHFDSA-N 0 0 194.177 1.122 10 0 ADAERN C[C@]12CC[C@H](O)[C@@H]1CCCC2=O 238526054 573825972 /nfs/dbraw/zinc/82/59/72/573825972.db2.gz QWYXCUDAMYMSIP-NRPADANISA-N 0 0 168.236 1.517 10 0 ADAERN Cc1cnc(N)nc1-c1ccccn1 87203637 573827581 /nfs/dbraw/zinc/82/75/81/573827581.db2.gz ZYNHAZRTZWSEAX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(C)(C)C1=NC(=O)C=N1 238131561 573827599 /nfs/dbraw/zinc/82/75/99/573827599.db2.gz OONVWYZACULRHM-UHFFFAOYSA-N 0 0 138.170 1.042 10 0 ADAERN [NH3+][C@H](C[C@H](F)c1ccccc1)C(=O)[O-] 257884657 573827605 /nfs/dbraw/zinc/82/76/05/573827605.db2.gz WBCWAOROYPPNRU-DTWKUNHWSA-N 0 0 197.209 1.499 10 0 ADAERN C[C@H](O)[C@@H](C)OC[C@H]1CCCCO1 131221978 573827625 /nfs/dbraw/zinc/82/76/25/573827625.db2.gz CERSSYICQRIETF-IVZWLZJFSA-N 0 0 188.267 1.341 10 0 ADAERN O=c1nc([C@H]2CCCS2)o[nH]1 257883961 573827639 /nfs/dbraw/zinc/82/76/39/573827639.db2.gz BQUWECGYNQGWSO-SCSAIBSYSA-N 0 0 172.209 1.343 10 0 ADAERN COc1ncc([C@@H](C)C[C@@H](C)O)cn1 308444710 573827644 /nfs/dbraw/zinc/82/76/44/573827644.db2.gz ANTDHIRYCTUEDB-JGVFFNPUSA-N 0 0 196.250 1.360 10 0 ADAERN CCOCc1nnc(C2CC2)[nH]1 41057571 573827654 /nfs/dbraw/zinc/82/76/54/573827654.db2.gz QHHPRBAHWMBCIR-UHFFFAOYSA-N 0 0 167.212 1.219 10 0 ADAERN COc1ncnc(SC(C)C)c1N 87206102 573827666 /nfs/dbraw/zinc/82/76/66/573827666.db2.gz FYOWGVYVRRHQKN-UHFFFAOYSA-N 0 0 199.279 1.568 10 0 ADAERN CCCC1(O)CCC(=O)CC1 84323135 573827694 /nfs/dbraw/zinc/82/76/94/573827694.db2.gz IURCWWFYBVTZGJ-UHFFFAOYSA-N 0 0 156.225 1.661 10 0 ADAERN CC(C)OCCO[C@H](C)C(N)=S 43515024 573827710 /nfs/dbraw/zinc/82/77/10/573827710.db2.gz YPMIUZPMBJEGAJ-SSDOTTSWSA-N 0 0 191.296 1.103 10 0 ADAERN C[C@]12CC[C@H](C[C@@H]1[NH3+])[C@@]2(C)C(=O)[O-] 238525526 573826995 /nfs/dbraw/zinc/82/69/95/573826995.db2.gz WEHVWLUJERKANU-KKHAAJSZSA-N 0 0 183.251 1.225 10 0 ADAERN CCCC[C@H](CO)NCC(F)(F)F 41053509 573827001 /nfs/dbraw/zinc/82/70/01/573827001.db2.gz KVVXCYVZDPOTPW-SSDOTTSWSA-N 0 0 199.216 1.689 10 0 ADAERN Cc1nc(C[NH3+])cc(N)c1C(F)F 238525345 573827002 /nfs/dbraw/zinc/82/70/02/573827002.db2.gz QIHXMKLJIGRMLS-UHFFFAOYSA-N 0 0 187.193 1.369 10 0 ADAERN Cc1nnsc1Nc1cccnc1 238525532 573827041 /nfs/dbraw/zinc/82/70/41/573827041.db2.gz VOTMPOIBWOXELG-UHFFFAOYSA-N 0 0 192.247 1.985 10 0 ADAERN CC1(C)C[C@H]1COC(=O)C1COC1 393592964 573827045 /nfs/dbraw/zinc/82/70/45/573827045.db2.gz YUEBQZYOTZGGOO-QMMMGPOBSA-N 0 0 184.235 1.222 10 0 ADAERN COC(=O)c1nc(C(C)=O)sc1C 257884862 573827058 /nfs/dbraw/zinc/82/70/58/573827058.db2.gz SNNBMKQIJBPTAK-UHFFFAOYSA-N 0 0 199.231 1.441 10 0 ADAERN Cc1nc(CN)oc1Br 238525798 573827091 /nfs/dbraw/zinc/82/70/91/573827091.db2.gz YNYFUONKYVVZJL-UHFFFAOYSA-N 0 0 191.028 1.204 10 0 ADAERN COCC(=O)Cc1ccc(OC)cc1 43504876 573827114 /nfs/dbraw/zinc/82/71/14/573827114.db2.gz IUYUBYOUUXINAJ-UHFFFAOYSA-N 0 0 194.230 1.453 10 0 ADAERN CCCC[C@@H]([NH2+]C1CC1)C(=O)[O-] 41053347 573827146 /nfs/dbraw/zinc/82/71/46/573827146.db2.gz ALPNMPNFBRJPGK-MRVPVSSYSA-N 0 0 171.240 1.382 10 0 ADAERN O=Cc1nn(C2CC2)c2c1CSC2 257884593 573827720 /nfs/dbraw/zinc/82/77/20/573827720.db2.gz WACNFUVRTSDWOP-UHFFFAOYSA-N 0 0 194.259 1.777 10 0 ADAERN Cc1nc(N)nc(C)c1OC(C)C 257884709 573827153 /nfs/dbraw/zinc/82/71/53/573827153.db2.gz MLGJZPFAGGDMGT-UHFFFAOYSA-N 0 0 181.239 1.463 10 0 ADAERN Oc1ccccc1[C@]1(O)CCOC1 257884921 573827196 /nfs/dbraw/zinc/82/71/96/573827196.db2.gz MNEHRUSDCPZJIY-JTQLQIEISA-N 0 0 180.203 1.000 10 0 ADAERN Cc1c(N)c[nH]c(=O)c1C(F)F 238526335 573827225 /nfs/dbraw/zinc/82/72/25/573827225.db2.gz MDLVWYYTUZKXAH-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN Cc1cnc(CNC(C)(C)CF)n1C 308751670 573827227 /nfs/dbraw/zinc/82/72/27/573827227.db2.gz UQRKHDIXIFBUDX-UHFFFAOYSA-N 0 0 199.273 1.566 10 0 ADAERN O=C1CCn2cnc(Cl)c21 238525647 573827230 /nfs/dbraw/zinc/82/72/30/573827230.db2.gz MZNPHXASHJTNBK-UHFFFAOYSA-N 0 0 156.572 1.123 10 0 ADAERN OCc1coc([C@@H]2CCCOC2)n1 257884505 573827243 /nfs/dbraw/zinc/82/72/43/573827243.db2.gz AOCGGIRZOIHJLO-SSDOTTSWSA-N 0 0 183.207 1.061 10 0 ADAERN Cc1cnc(F)c(C(F)F)c1CO 238525673 573827246 /nfs/dbraw/zinc/82/72/46/573827246.db2.gz XHIWFQIBTRYOME-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C/C=C\[C@H](O)[C@](C)(O)c1ccncc1 308444808 573827258 /nfs/dbraw/zinc/82/72/58/573827258.db2.gz KMTUTVIDCYRFPZ-CBZSPVTBSA-N 0 0 193.246 1.226 10 0 ADAERN CC(C)(C)Cn1nnc2cccnc21 258148918 573827270 /nfs/dbraw/zinc/82/72/70/573827270.db2.gz DHBOSQLRQPIBEB-UHFFFAOYSA-N 0 0 190.250 1.872 10 0 ADAERN COCC(=O)Cc1cc(F)ccc1C 43504845 573827302 /nfs/dbraw/zinc/82/73/02/573827302.db2.gz WQYSBHVMASAACX-UHFFFAOYSA-N 0 0 196.221 1.892 10 0 ADAERN CCCOc1nc[nH]c(=S)c1N 87206845 573827303 /nfs/dbraw/zinc/82/73/03/573827303.db2.gz XJKPVOIUOFJOMV-UHFFFAOYSA-N 0 0 185.252 1.510 10 0 ADAERN Cc1c(N)cnc(C(F)F)c1N 238525938 573827321 /nfs/dbraw/zinc/82/73/21/573827321.db2.gz DWCNZMJBPIVJBR-UHFFFAOYSA-N 0 0 173.166 1.492 10 0 ADAERN ClC=C1COCOC1 238525246 573827328 /nfs/dbraw/zinc/82/73/28/573827328.db2.gz CDQFHFBMPDUGDW-UHFFFAOYSA-N 0 0 134.562 1.113 10 0 ADAERN C=Cc1ccc(C=O)[nH]1 238131473 573827373 /nfs/dbraw/zinc/82/73/73/573827373.db2.gz XWGKXRWMYGKDFB-UHFFFAOYSA-N 0 0 121.139 1.470 10 0 ADAERN CC(=O)c1cc(C)cc(O)c1N 238131423 573827445 /nfs/dbraw/zinc/82/74/45/573827445.db2.gz REXJZKNAVFUNKY-UHFFFAOYSA-N 0 0 165.192 1.485 10 0 ADAERN CC(=O)S[C@@]1(C)CCC[C@H]1O 238131604 573827491 /nfs/dbraw/zinc/82/74/91/573827491.db2.gz KFOBDXATLVCJFM-SFYZADRCSA-N 0 0 174.265 1.570 10 0 ADAERN CC(=O)S[C@@]1(C)CCC[C@@H]1O 238131575 573827496 /nfs/dbraw/zinc/82/74/96/573827496.db2.gz KFOBDXATLVCJFM-YUMQZZPRSA-N 0 0 174.265 1.570 10 0 ADAERN OCc1coc([C@H]2CCCOC2)n1 257884508 573827505 /nfs/dbraw/zinc/82/75/05/573827505.db2.gz AOCGGIRZOIHJLO-ZETCQYMHSA-N 0 0 183.207 1.061 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)C[C@@H]1C[C@@H]1C 308445338 573827516 /nfs/dbraw/zinc/82/75/16/573827516.db2.gz AYXCZFPFULFYER-JXUBOQSCSA-N 0 0 181.279 1.947 10 0 ADAERN CCC[C@H](O)[C@H](O)c1cnsc1 404789721 573827523 /nfs/dbraw/zinc/82/75/23/573827523.db2.gz 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/nfs/dbraw/zinc/83/01/60/573830160.db2.gz WOTFSQPDWFBFCT-UHFFFAOYSA-N 0 0 185.252 1.509 10 0 ADAERN O=C1CCC[C@H]([C@@H]2CCCO2)C1 222715981 573830184 /nfs/dbraw/zinc/83/01/84/573830184.db2.gz MHOXAOANOSWBMI-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN CC(=O)N[C@H]1COc2c(C)cccc21 238147848 573830192 /nfs/dbraw/zinc/83/01/92/573830192.db2.gz SRZBBXVOVOHHNN-JTQLQIEISA-N 0 0 191.230 1.565 10 0 ADAERN Cn1c(=S)[nH]c2ncncc21 238527309 573830203 /nfs/dbraw/zinc/83/02/03/573830203.db2.gz JUNWVLREDIXQEG-UHFFFAOYSA-N 0 0 166.209 1.026 10 0 ADAERN C[C@@H](CC(C)(C)C)ON 259573278 573830207 /nfs/dbraw/zinc/83/02/07/573830207.db2.gz YDIDRHINYHOWOF-LURJTMIESA-N 0 0 131.219 1.701 10 0 ADAERN CC(C)OC[C@H](NN)[C@H]1C[C@@H]2C[C@@H]2C1 252973994 573830213 /nfs/dbraw/zinc/83/02/13/573830213.db2.gz UHILHWXDBDEPTB-VLEAKVRGSA-N 0 0 198.310 1.289 10 0 ADAERN COc1cncc(NCCC2CC2)n1 308756154 573835146 /nfs/dbraw/zinc/83/51/46/573835146.db2.gz WLLWCDABIHRGIU-UHFFFAOYSA-N 0 0 193.250 1.697 10 0 ADAERN CC(=O)c1[nH]nc2nc(Cl)ccc12 238155838 573835165 /nfs/dbraw/zinc/83/51/65/573835165.db2.gz AWWPVHLDODPCMS-UHFFFAOYSA-N 0 0 195.609 1.814 10 0 ADAERN C[C@H](CO)c1cc(F)c(O)c(F)c1 258152999 573835183 /nfs/dbraw/zinc/83/51/83/573835183.db2.gz UHMYDONFALJBDX-RXMQYKEDSA-N 0 0 188.173 1.766 10 0 ADAERN C[C@H](O)c1cnc(C[C@@H]2CCCO2)o1 257887524 573835184 /nfs/dbraw/zinc/83/51/84/573835184.db2.gz ATKGVCWZTUGPJT-YUMQZZPRSA-N 0 0 197.234 1.449 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@]1(C)CCCO1 87226944 573835185 /nfs/dbraw/zinc/83/51/85/573835185.db2.gz ZGPFNPLCGITIKC-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN CCN(C)c1[nH]c2ccc(N)cc2[nH+]1 87225333 573835193 /nfs/dbraw/zinc/83/51/93/573835193.db2.gz NBFCGLFPLFZQCM-UHFFFAOYSA-N 0 0 190.250 1.601 10 0 ADAERN Cc1nc(-c2ccc(C[NH3+])s2)c[nH]1 238532826 573835195 /nfs/dbraw/zinc/83/51/95/573835195.db2.gz IPXWKVXUBRLROQ-UHFFFAOYSA-N 0 0 193.275 1.905 10 0 ADAERN CCOCc1ccc(N)c(F)c1 87225654 573834494 /nfs/dbraw/zinc/83/44/94/573834494.db2.gz HVCNBNNTRMFDLH-UHFFFAOYSA-N 0 0 169.199 1.944 10 0 ADAERN Cc1cc(=O)[nH]c([C@]2(C)CCCO2)n1 87226507 573834499 /nfs/dbraw/zinc/83/44/99/573834499.db2.gz WOITWIDLXGLUND-JTQLQIEISA-N 0 0 194.234 1.104 10 0 ADAERN CC(C)=CCC(C)(O)O 238141135 573834505 /nfs/dbraw/zinc/83/45/05/573834505.db2.gz BEYSPOTYUUWGQT-UHFFFAOYSA-N 0 0 130.187 1.044 10 0 ADAERN CC(C)C(=O)[C@]1(C)CCCO1 87226794 573834509 /nfs/dbraw/zinc/83/45/09/573834509.db2.gz XHHOFGJNODEJQF-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN CCCOc1nc2cc(N)ccc2[nH]1 87225471 573834518 /nfs/dbraw/zinc/83/45/18/573834518.db2.gz QQEVHQRMLIDRLR-UHFFFAOYSA-N 0 0 191.234 1.934 10 0 ADAERN Cc1nc(C)c(C2(CO)CC2)s1 259206966 573834532 /nfs/dbraw/zinc/83/45/32/573834532.db2.gz HSAJNUNVKGGQDP-UHFFFAOYSA-N 0 0 183.276 1.784 10 0 ADAERN C[C@@H](CO)c1cc(F)c(O)c(F)c1 258153001 573834535 /nfs/dbraw/zinc/83/45/35/573834535.db2.gz UHMYDONFALJBDX-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN CON(C)C(=O)C[C@@H]1CCC[C@@H]1C 308448076 573834568 /nfs/dbraw/zinc/83/45/68/573834568.db2.gz CCQSAWSYQDIZHH-IUCAKERBSA-N 0 0 185.267 1.833 10 0 ADAERN CC(C)(C)C1OCC(CCO)CO1 238140887 573834602 /nfs/dbraw/zinc/83/46/02/573834602.db2.gz FRRXFLBAKISEFC-UHFFFAOYSA-N 0 0 188.267 1.404 10 0 ADAERN CC(C)CO[C@@H]1OCCC[C@H]1O 238154865 573834606 /nfs/dbraw/zinc/83/46/06/573834606.db2.gz HMSZQHGXWMTMPA-BDAKNGLRSA-N 0 0 174.240 1.156 10 0 ADAERN Cc1cc(Cl)c2c(c1N)C(=O)OC2 238532854 573834607 /nfs/dbraw/zinc/83/46/07/573834607.db2.gz FZORXNONNMKJQE-UHFFFAOYSA-N 0 0 197.621 1.901 10 0 ADAERN CCC[C@H](O)[C@@]1(C)CCCO1 87227249 573834610 /nfs/dbraw/zinc/83/46/10/573834610.db2.gz YBQDVEOAOUHDKC-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN Cc1cc(Cl)c2c(c1)CNC2=O 238532635 573834617 /nfs/dbraw/zinc/83/46/17/573834617.db2.gz AWWUJWNCJKRMIE-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN OC1(Cc2ccco2)CCOCC1 84336677 573834626 /nfs/dbraw/zinc/83/46/26/573834626.db2.gz WKSPGDRWICHXBZ-UHFFFAOYSA-N 0 0 182.219 1.364 10 0 ADAERN CC(C)(C)[C@H](O)[C@@]1(C)CCCO1 87226946 573834634 /nfs/dbraw/zinc/83/46/34/573834634.db2.gz ZGPFNPLCGITIKC-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cc(Cl)c2c(c1)[C@H](O)OC2=O 238532654 573834648 /nfs/dbraw/zinc/83/46/48/573834648.db2.gz VCPLSHBBUGFKOC-MRVPVSSYSA-N 0 0 198.605 1.810 10 0 ADAERN C[C@]1([C@@H](O)C2CC2)CCCO1 87227054 573834655 /nfs/dbraw/zinc/83/46/55/573834655.db2.gz XFLJSZXEKMHMOP-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@]12C[C@H]1CCC[C@@H]2O 238533064 573834656 /nfs/dbraw/zinc/83/46/56/573834656.db2.gz BJNQHZNTLGBLAP-CSMHCCOUSA-N 0 0 126.199 1.557 10 0 ADAERN FC(F)Oc1ncc[nH]1 238532720 573834664 /nfs/dbraw/zinc/83/46/64/573834664.db2.gz MZMZBULVXVUQNK-UHFFFAOYSA-N 0 0 134.085 1.011 10 0 ADAERN CCc1cc(CON)c(OC)cc1F 258151647 573834674 /nfs/dbraw/zinc/83/46/74/573834674.db2.gz OVHQOUUFXFHLSB-UHFFFAOYSA-N 0 0 199.225 1.787 10 0 ADAERN Cc1nonc1C[C@H](O)c1ccco1 238532808 573834696 /nfs/dbraw/zinc/83/46/96/573834696.db2.gz SNCFDMDFQSCQNQ-QMMMGPOBSA-N 0 0 194.190 1.247 10 0 ADAERN CC[C@@H](O)[C@@]1(C)CCCO1 87227023 573834723 /nfs/dbraw/zinc/83/47/23/573834723.db2.gz PAZYTPSZKTWQQU-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@]1(c2nc(C=O)cs2)CCCO1 87226498 573834733 /nfs/dbraw/zinc/83/47/33/573834733.db2.gz REHCNZNQJWXDDZ-VIFPVBQESA-N 0 0 197.259 1.981 10 0 ADAERN CC1(C)CC(=O)C2(CC(=O)C2)C(=O)C1 257886597 573834743 /nfs/dbraw/zinc/83/47/43/573834743.db2.gz WJPFBBGWWDYFHE-UHFFFAOYSA-N 0 0 194.230 1.294 10 0 ADAERN CC(C)(C)[C@@H](O)[C@]1(C)CCCO1 87226945 573834746 /nfs/dbraw/zinc/83/47/46/573834746.db2.gz ZGPFNPLCGITIKC-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H]([NH3+])c1ccnn1[C@@H]1CCCOC1 257886566 573834770 /nfs/dbraw/zinc/83/47/70/573834770.db2.gz WIZQISFETYQQRL-RKDXNWHRSA-N 0 0 195.266 1.254 10 0 ADAERN Cn1cc([C@@H](O)[C@]2(C)CCCO2)cn1 87227487 573834773 /nfs/dbraw/zinc/83/47/73/573834773.db2.gz FVISPQYBOFQLBJ-ZJUUUORDSA-N 0 0 196.250 1.023 10 0 ADAERN CCCC1=N[C@@H]2C[C@H](O)CC[C@@H]2O1 258153464 573834779 /nfs/dbraw/zinc/83/47/79/573834779.db2.gz YCQLCXQSDWWUKF-HLTSFMKQSA-N 0 0 183.251 1.497 10 0 ADAERN C[C@]1(c2nc(C=O)cs2)CCCO1 87226497 573834780 /nfs/dbraw/zinc/83/47/80/573834780.db2.gz REHCNZNQJWXDDZ-SECBINFHSA-N 0 0 197.259 1.981 10 0 ADAERN CC(=O)[C@H](N=O)Nc1ccccn1 238154666 573834787 /nfs/dbraw/zinc/83/47/87/573834787.db2.gz PZSJMLJGOREBFA-QMMMGPOBSA-N 0 0 179.179 1.175 10 0 ADAERN Cn1c(CNC=O)cc2ccccc21 238532539 573834793 /nfs/dbraw/zinc/83/47/93/573834793.db2.gz PBBCGCFXHIGBNU-UHFFFAOYSA-N 0 0 188.230 1.424 10 0 ADAERN CC[C@@H]1COC[C@@]12CCC(=O)O2 687973369 573834810 /nfs/dbraw/zinc/83/48/10/573834810.db2.gz VROUCSOHCBUWHY-APPZFPTMSA-N 0 0 170.208 1.119 10 0 ADAERN COC(=O)[C@@H](O)C1CCCCCC1 84330265 573834815 /nfs/dbraw/zinc/83/48/15/573834815.db2.gz HVQHAVYYVPLDQC-VIFPVBQESA-N 0 0 186.251 1.491 10 0 ADAERN CC#CCC[NH+]1CC([C@@H](C)C(=O)[O-])C1 130102485 573834826 /nfs/dbraw/zinc/83/48/26/573834826.db2.gz XRRFDFWFPGIHHP-SECBINFHSA-N 0 0 195.262 1.052 10 0 ADAERN CC1CCC(C2=NO[C@H](CO)C2)CC1 84339461 573834843 /nfs/dbraw/zinc/83/48/43/573834843.db2.gz HPZVNBROWIAYTF-RTBKNWGFSA-N 0 0 197.278 1.950 10 0 ADAERN CC(=O)[C@@H](O)CC1CCCCC1 238155522 573834849 /nfs/dbraw/zinc/83/48/49/573834849.db2.gz AZAQPAAPZAWNCB-JTQLQIEISA-N 0 0 170.252 1.907 10 0 ADAERN C[C@]1(C(=O)c2cccnc2)CCCO1 87226752 573834858 /nfs/dbraw/zinc/83/48/58/573834858.db2.gz AMKRTEBYYGLLBD-LLVKDONJSA-N 0 0 191.230 1.833 10 0 ADAERN C[C@]1([C@@H](O)c2ccco2)CCCO1 87227145 573834865 /nfs/dbraw/zinc/83/48/65/573834865.db2.gz FTFFDGVPLUMWDR-VHSXEESVSA-N 0 0 182.219 1.882 10 0 ADAERN Cc1nn(C)cc1C(=O)C(C)C 84330883 573834932 /nfs/dbraw/zinc/83/49/32/573834932.db2.gz JQGVNTOFOTWGHN-UHFFFAOYSA-N 0 0 166.224 1.567 10 0 ADAERN O[C@@H]1CO[C@@]2(CCc3cccnc32)C1 716230100 573835216 /nfs/dbraw/zinc/83/52/16/573835216.db2.gz LDGNXYACZOBUJE-ONGXEEELSA-N 0 0 191.230 1.004 10 0 ADAERN C[S@](=O)Cc1ccc(N)c(F)c1 87225903 573835217 /nfs/dbraw/zinc/83/52/17/573835217.db2.gz CHIAQPSYWOLTFM-GFCCVEGCSA-N 0 0 187.239 1.286 10 0 ADAERN Cc1cc(C(=O)OC(C)(C)C)n[nH]1 87222867 573834951 /nfs/dbraw/zinc/83/49/51/573834951.db2.gz XODVIOZOMDRHAC-UHFFFAOYSA-N 0 0 182.223 1.673 10 0 ADAERN CC(C)(C)[C@H](O)[C@]1(C)CCCO1 87226947 573834957 /nfs/dbraw/zinc/83/49/57/573834957.db2.gz ZGPFNPLCGITIKC-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CC(=O)C1=C(C)NC[C@H]1C(C)C 238155057 573834975 /nfs/dbraw/zinc/83/49/75/573834975.db2.gz JVGHQLQXKXYPTH-UWVGGRQHSA-N 0 0 167.252 1.938 10 0 ADAERN C[C@H](C[NH2+]CC1CCCC1)CC(=O)[O-] 258966278 573834998 /nfs/dbraw/zinc/83/49/98/573834998.db2.gz WKWSFYILPDTMBT-VIFPVBQESA-N 0 0 199.294 1.877 10 0 ADAERN CC[C@@H](O)C(=O)N[C@H](C)C1CCC1 308451672 573835006 /nfs/dbraw/zinc/83/50/06/573835006.db2.gz DOYIAPPKFYLXCG-VXNVDRBHSA-N 0 0 185.267 1.062 10 0 ADAERN CON(C)Cc1ccc(N)c(F)c1 87225547 573835038 /nfs/dbraw/zinc/83/50/38/573835038.db2.gz VDGVVCOKXWCVCY-UHFFFAOYSA-N 0 0 184.214 1.401 10 0 ADAERN CNC(=O)Nc1cccc(O)c1C 125224889 573835058 /nfs/dbraw/zinc/83/50/58/573835058.db2.gz QCYIVXZRLJWDSQ-UHFFFAOYSA-N 0 0 180.207 1.452 10 0 ADAERN CC(C)OC(=O)CNCc1ccc[nH]1 308763167 573835065 /nfs/dbraw/zinc/83/50/65/573835065.db2.gz IARIJZSAMOREAN-UHFFFAOYSA-N 0 0 196.250 1.056 10 0 ADAERN CCC[C@H](O)[C@]1(C)CCCO1 87227247 573835066 /nfs/dbraw/zinc/83/50/66/573835066.db2.gz YBQDVEOAOUHDKC-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN OC/C=C\C1CCSCC1 258151642 573835072 /nfs/dbraw/zinc/83/50/72/573835072.db2.gz KKCOGRZBTRJJJQ-UPHRSURJSA-N 0 0 158.266 1.678 10 0 ADAERN COCc1cc(C(C)=O)no1 87224150 573835073 /nfs/dbraw/zinc/83/50/73/573835073.db2.gz WDKAOVQBOGEYQM-UHFFFAOYSA-N 0 0 155.153 1.024 10 0 ADAERN C[C@]1(C(=O)C2CC2)CCCO1 87226666 573835076 /nfs/dbraw/zinc/83/50/76/573835076.db2.gz VJPRHESZFQLYIJ-SECBINFHSA-N 0 0 154.209 1.535 10 0 ADAERN FC(F)(F)Oc1cc[nH]c1 238532901 573835078 /nfs/dbraw/zinc/83/50/78/573835078.db2.gz RGWVHHXIXBCBKJ-UHFFFAOYSA-N 0 0 151.087 1.913 10 0 ADAERN [NH3+][C@@H](O)c1ccc2c(c1)CCCC2 259207274 573835097 /nfs/dbraw/zinc/83/50/97/573835097.db2.gz DSLSGHHLMZWYKR-NSHDSACASA-N 0 0 177.247 1.515 10 0 ADAERN CC(=O)[C@@H](O)C(C)(C)Br 238154813 573835102 /nfs/dbraw/zinc/83/51/02/573835102.db2.gz RGBRCTGFYHGFBM-RXMQYKEDSA-N 0 0 195.056 1.110 10 0 ADAERN Cc1cccc(N=O)c1C(=O)CO 238532412 573835106 /nfs/dbraw/zinc/83/51/06/573835106.db2.gz WTHQGQLINJWLLH-UHFFFAOYSA-N 0 0 179.175 1.568 10 0 ADAERN Cn1nccc1[C@@H](O)[C@@]1(C)CCCO1 87227422 573835117 /nfs/dbraw/zinc/83/51/17/573835117.db2.gz QCXDXTQVYRGZQW-NXEZZACHSA-N 0 0 196.250 1.023 10 0 ADAERN C[C@]1(c2ncc(C=O)cn2)CCCO1 87229261 573838442 /nfs/dbraw/zinc/83/84/42/573838442.db2.gz OCJBJNVAGWHBEU-SNVBAGLBSA-N 0 0 192.218 1.315 10 0 ADAERN Cc1cc(C)nc(N[C@H]2CC[C@@H]2O)n1 585297591 573838451 /nfs/dbraw/zinc/83/84/51/573838451.db2.gz HBCPRVHFDAJBIP-IUCAKERBSA-N 0 0 193.250 1.029 10 0 ADAERN C[C@H](CCNN)c1ccccc1 43535598 573838457 /nfs/dbraw/zinc/83/84/57/573838457.db2.gz PTQZDHNFCNJEGV-SECBINFHSA-N 0 0 164.252 1.644 10 0 ADAERN Cc1cc(F)cc([C@H]2COC[C@@H]2O)c1 687966479 573838463 /nfs/dbraw/zinc/83/84/63/573838463.db2.gz YFGSPQJPPQXFOL-MNOVXSKESA-N 0 0 196.221 1.609 10 0 ADAERN CC/C=C/COC(=O)CC1COC1 308451694 573838479 /nfs/dbraw/zinc/83/84/79/573838479.db2.gz DQFCTJGQHKUGFP-ONEGZZNKSA-N 0 0 184.235 1.532 10 0 ADAERN COCN(C)c1cccs1 258969146 573838485 /nfs/dbraw/zinc/83/84/85/573838485.db2.gz BIYDAEIFFVYNJT-UHFFFAOYSA-N 0 0 157.238 1.788 10 0 ADAERN C[C@H](N)c1nnc([C@]2(C)CCCO2)o1 87231301 573838498 /nfs/dbraw/zinc/83/84/98/573838498.db2.gz VCADFYVUDXFGJH-RCOVLWMOSA-N 0 0 197.238 1.115 10 0 ADAERN Cc1c(C(=O)[O-])ccc2c1[C@@H]([NH3+])CC2 238534859 573838499 /nfs/dbraw/zinc/83/84/99/573838499.db2.gz VTNYCWUUQPTLGF-VIFPVBQESA-N 0 0 191.230 1.639 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)NC(=O)N(C)C2=O 125234154 573838509 /nfs/dbraw/zinc/83/85/09/573838509.db2.gz ANZXYTCRILGVHW-GMSGAONNSA-N 0 0 196.250 1.117 10 0 ADAERN CC1(C)COc2cccc(O)c2N1 259208876 573838512 /nfs/dbraw/zinc/83/85/12/573838512.db2.gz LBQOOWFELPTGMH-UHFFFAOYSA-N 0 0 179.219 1.975 10 0 ADAERN C[C@@]1(c2nccc(N)n2)CCCO1 87229140 573838516 /nfs/dbraw/zinc/83/85/16/573838516.db2.gz MMZYTUWRTVKWKT-VIFPVBQESA-N 0 0 179.223 1.084 10 0 ADAERN O=C([O-])[C@H](C[NH2+]C1CC1)c1ccco1 258153639 573838526 /nfs/dbraw/zinc/83/85/26/573838526.db2.gz NDKDIINWHGUZBM-MRVPVSSYSA-N 0 0 195.218 1.200 10 0 ADAERN COC/C=C\C(=O)OCC[C@H](C)F 308448125 573838527 /nfs/dbraw/zinc/83/85/27/573838527.db2.gz CFKMSQGPTQPCPU-VEMNSZJBSA-N 0 0 190.214 1.480 10 0 ADAERN Cc1c[nH]c(=O)c(N)c1C(F)F 238534184 573838531 /nfs/dbraw/zinc/83/85/31/573838531.db2.gz ZDJVHEAHOVSERI-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CON(CC(C)(C)C)[C@@H]1CCOC1 308448520 573838535 /nfs/dbraw/zinc/83/85/35/573838535.db2.gz CFZVJBMLXICDQI-SECBINFHSA-N 0 0 187.283 1.685 10 0 ADAERN Cn1nnc2c1NC=N[C@@H]2C(C)(C)C 238535525 573838548 /nfs/dbraw/zinc/83/85/48/573838548.db2.gz OFXBVOFXLIVYPP-ZETCQYMHSA-N 0 0 193.254 1.165 10 0 ADAERN CC(C)CO[P@](C)(=O)[C@H](C)O 238157165 573838551 /nfs/dbraw/zinc/83/85/51/573838551.db2.gz JFQDOIDTRVJUMD-HQJQHLMTSA-N 0 0 180.184 1.905 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H](O)CCC1=O 238156628 573838565 /nfs/dbraw/zinc/83/85/65/573838565.db2.gz DPYVJXMRYQGOED-JGVFFNPUSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@]1([C@@H](O)c2cc[nH]c2)CCCO1 87230871 573838589 /nfs/dbraw/zinc/83/85/89/573838589.db2.gz CCQWJIDFJNAWDE-VHSXEESVSA-N 0 0 181.235 1.617 10 0 ADAERN CON(CC(C)(C)C)[C@H]1CCOC1 308448521 573838620 /nfs/dbraw/zinc/83/86/20/573838620.db2.gz CFZVJBMLXICDQI-VIFPVBQESA-N 0 0 187.283 1.685 10 0 ADAERN C[C@]1(C2N=NC(=S)N2)CCCO1 87230314 573838621 /nfs/dbraw/zinc/83/86/21/573838621.db2.gz SQIIGTJTLBODSL-SSDOTTSWSA-N 0 0 185.252 1.119 10 0 ADAERN Cc1c(O)c(C)c(O)c(C=O)c1O 238533910 573838634 /nfs/dbraw/zinc/83/86/34/573838634.db2.gz LKMZMJIHTPUSSL-UHFFFAOYSA-N 0 0 182.175 1.233 10 0 ADAERN C[C@H](N)c1nnc([C@@]2(C)CCCO2)o1 87231303 573838635 /nfs/dbraw/zinc/83/86/35/573838635.db2.gz VCADFYVUDXFGJH-IMTBSYHQSA-N 0 0 197.238 1.115 10 0 ADAERN CC[C@H](C)OCn1ccc(C)cc1=O 308448312 573838638 /nfs/dbraw/zinc/83/86/38/573838638.db2.gz 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/nfs/dbraw/zinc/83/87/21/573838721.db2.gz LBZIDFSKIHIUPI-ZETCQYMHSA-N 0 0 196.275 1.453 10 0 ADAERN COCOC(=O)/C=C\c1ccco1 308449356 573838740 /nfs/dbraw/zinc/83/87/40/573838740.db2.gz CTGPRACDDSENQZ-PLNGDYQASA-N 0 0 182.175 1.440 10 0 ADAERN CNOCCOc1cccc(F)c1 257886911 573838741 /nfs/dbraw/zinc/83/87/41/573838741.db2.gz GDAYAYFFYMKHIG-UHFFFAOYSA-N 0 0 185.198 1.356 10 0 ADAERN Cc1cc(-c2cc[nH]n2)c(N)c(C)n1 238534970 573838750 /nfs/dbraw/zinc/83/87/50/573838750.db2.gz UZGLLHMVGFDVDE-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN Cc1c(C(F)F)[nH]cc(CO)c1=O 238534724 573838753 /nfs/dbraw/zinc/83/87/53/573838753.db2.gz HLLXCLJTEBNPRL-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(C)NC(=O)c1ccc(F)c(O)c1 238157067 573838768 /nfs/dbraw/zinc/83/87/68/573838768.db2.gz RGORYIBBJZPCPA-UHFFFAOYSA-N 0 0 197.209 1.670 10 0 ADAERN Cn1nc(N)cc1-c1ccccc1O 257886584 573838777 /nfs/dbraw/zinc/83/87/77/573838777.db2.gz WJMPYTFLMOGNNS-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CC(=O)[C@]1(C)O[C@@H]1CC(C)C 238156769 573838783 /nfs/dbraw/zinc/83/87/83/573838783.db2.gz VERRHZKNOULORZ-BDAKNGLRSA-N 0 0 156.225 1.779 10 0 ADAERN C[C@H]1CCC[C@](C[NH+](C)C)(C(=O)[O-])C1 84347253 573838794 /nfs/dbraw/zinc/83/87/94/573838794.db2.gz NDVOQGSSLYYWIK-ONGXEEELSA-N 0 0 199.294 1.829 10 0 ADAERN CCC1([C@H](O)c2ncn(C)n2)CCC1 714756982 573838801 /nfs/dbraw/zinc/83/88/01/573838801.db2.gz GJAVPALFYVARHO-MRVPVSSYSA-N 0 0 195.266 1.429 10 0 ADAERN O=Cc1noc([C@@H]2CCCSC2)n1 257886998 573838807 /nfs/dbraw/zinc/83/88/07/573838807.db2.gz BZNGTZQJXBLYAW-ZCFIWIBFSA-N 0 0 198.247 1.493 10 0 ADAERN COC(=O)[C@@H](O)/C=C\c1ccc(C)o1 308449537 573838813 /nfs/dbraw/zinc/83/88/13/573838813.db2.gz QBDFNTBEEUAIDT-UDIARPCQSA-N 0 0 196.202 1.135 10 0 ADAERN CC1CCC([C@@H]2COC(=O)N2)CC1 84340296 573838823 /nfs/dbraw/zinc/83/88/23/573838823.db2.gz KAGCSYJTNOTDGK-HACHORDNSA-N 0 0 183.251 1.921 10 0 ADAERN CCCc1ccnc(OC)n1 259208640 573838838 /nfs/dbraw/zinc/83/88/38/573838838.db2.gz XALIQBOXNGPNII-UHFFFAOYSA-N 0 0 152.197 1.438 10 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185.230 1.650 10 0 ADAERN C[C@H](CO)Oc1ccc(F)cc1C=O 308448369 573838988 /nfs/dbraw/zinc/83/89/88/573838988.db2.gz AJVOCOMDGLJAFX-SSDOTTSWSA-N 0 0 198.193 1.398 10 0 ADAERN CN(c1ccccn1)[C@H]1COC[C@H]1F 585297512 573838990 /nfs/dbraw/zinc/83/89/90/573838990.db2.gz FWTXSUSDMHORJD-BDAKNGLRSA-N 0 0 196.225 1.255 10 0 ADAERN CON(CCC(C)C)C(=O)C(F)F 308448128 573839047 /nfs/dbraw/zinc/83/90/47/573839047.db2.gz CFSVATWNXCBOSF-UHFFFAOYSA-N 0 0 195.209 1.688 10 0 ADAERN CC(=O)[C@@H](O)[C@H]1CC=C(C)CC1 238156261 573839050 /nfs/dbraw/zinc/83/90/50/573839050.db2.gz ADHUZWYOLQODSL-VHSXEESVSA-N 0 0 168.236 1.683 10 0 ADAERN Cc1oc(N)nc1[C@@H]1CCSC1 259623075 573839053 /nfs/dbraw/zinc/83/90/53/573839053.db2.gz FKWSFMLSJYGTRO-ZCFIWIBFSA-N 0 0 184.264 1.786 10 0 ADAERN CCC[C@@H]1C[C@@H](CO)CCO1 84348291 573839076 /nfs/dbraw/zinc/83/90/76/573839076.db2.gz DUHOFIFZSMPYNY-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@]1(C(=O)c2ccc[nH]2)CCCO1 87229799 573839079 /nfs/dbraw/zinc/83/90/79/573839079.db2.gz CIVUCQQNOYOXAH-JTQLQIEISA-N 0 0 179.219 1.767 10 0 ADAERN C[C@@H]1CCC[C@](C[NH+](C)C)(C(=O)[O-])C1 84347246 573839084 /nfs/dbraw/zinc/83/90/84/573839084.db2.gz NDVOQGSSLYYWIK-KOLCDFICSA-N 0 0 199.294 1.829 10 0 ADAERN O=Cc1nn(C2CCC2)c2c1CCC2 257886601 573839091 /nfs/dbraw/zinc/83/90/91/573839091.db2.gz WJPYXYBFHLFDLZ-UHFFFAOYSA-N 0 0 190.246 1.909 10 0 ADAERN C[C@@]1(C(=O)c2cc[nH]c2)CCCO1 87229801 573839119 /nfs/dbraw/zinc/83/91/19/573839119.db2.gz RCQRUMISNYRDCA-JTQLQIEISA-N 0 0 179.219 1.767 10 0 ADAERN COC(=O)[C@]1(c2cccnc2)C[C@@H]1C 258968916 573839130 /nfs/dbraw/zinc/83/91/30/573839130.db2.gz HUYYMQHQJIPHSP-GZMMTYOYSA-N 0 0 191.230 1.532 10 0 ADAERN Cc1cc(N)nc([C@]2(C)CCCO2)n1 87229129 573839163 /nfs/dbraw/zinc/83/91/63/573839163.db2.gz PGIVEZWNQMQXAU-JTQLQIEISA-N 0 0 193.250 1.393 10 0 ADAERN Cc1c2cc(F)cc(N)c2nn1C 259573948 573839166 /nfs/dbraw/zinc/83/91/66/573839166.db2.gz WNKNVPHMMHNFQK-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN CNc1ccnc([C@@]2(C)CCCO2)n1 87229149 573839169 /nfs/dbraw/zinc/83/91/69/573839169.db2.gz PEMXOYXCASQIOO-SNVBAGLBSA-N 0 0 193.250 1.544 10 0 ADAERN OCC[C@H]1Cc2cc(O)ccc2S1 258150411 573839178 /nfs/dbraw/zinc/83/91/78/573839178.db2.gz QZTLILODJFPZJY-VIFPVBQESA-N 0 0 196.271 1.791 10 0 ADAERN OCc1cc([C@@H]2CCCOC2)on1 259208748 573839180 /nfs/dbraw/zinc/83/91/80/573839180.db2.gz LAYWVJXPPMSPIX-SSDOTTSWSA-N 0 0 183.207 1.061 10 0 ADAERN OCC[C@@H]1Cc2cc(O)ccc2S1 258150408 573839183 /nfs/dbraw/zinc/83/91/83/573839183.db2.gz QZTLILODJFPZJY-SECBINFHSA-N 0 0 196.271 1.791 10 0 ADAERN C[C@@H]1CCC[C@@H](c2ncn(N)c2N)C1 84342234 573839199 /nfs/dbraw/zinc/83/91/99/573839199.db2.gz SZBGZLFKVNNKPW-HTQZYQBOSA-N 0 0 194.282 1.473 10 0 ADAERN CC(=O)c1nc(N)ccc1C 238157392 573839204 /nfs/dbraw/zinc/83/92/04/573839204.db2.gz KGEXTEYJBQXDEJ-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H]2CNC(=O)O2)C1 84348233 573839884 /nfs/dbraw/zinc/83/98/84/573839884.db2.gz DJNSACKAXAGZTN-HLTSFMKQSA-N 0 0 183.251 1.921 10 0 ADAERN 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179.219 1.767 10 0 ADAERN NOC[C@@H]1CSc2ccc(F)cc21 258150352 573841694 /nfs/dbraw/zinc/84/16/94/573841694.db2.gz QZADQGLQUODTMD-ZCFIWIBFSA-N 0 0 199.250 1.905 10 0 ADAERN CC[C@H](OCC1CC1)C(N)=S 43541742 573841698 /nfs/dbraw/zinc/84/16/98/573841698.db2.gz OLAFKQPIICNJHB-ZETCQYMHSA-N 0 0 173.281 1.478 10 0 ADAERN Cc1nc([C@H](C)CO)co1 258150079 573839914 /nfs/dbraw/zinc/83/99/14/573839914.db2.gz QLNUIQHKTNLHFU-RXMQYKEDSA-N 0 0 141.170 1.079 10 0 ADAERN Cn1nnc2c1NC=N[C@H]2C(C)(C)C 238535578 573839951 /nfs/dbraw/zinc/83/99/51/573839951.db2.gz OFXBVOFXLIVYPP-SSDOTTSWSA-N 0 0 193.254 1.165 10 0 ADAERN CC(C)(C)[C@@H]1OCC(C)(C)[C@H](O)O1 238158896 573839956 /nfs/dbraw/zinc/83/99/56/573839956.db2.gz YIFOCLQBGYGVFC-HTQZYQBOSA-N 0 0 188.267 1.750 10 0 ADAERN OCc1cc([C@H]2CCCOC2)on1 259208756 573839977 /nfs/dbraw/zinc/83/99/77/573839977.db2.gz LAYWVJXPPMSPIX-ZETCQYMHSA-N 0 0 183.207 1.061 10 0 ADAERN C[C@]1([C@H](O)c2ccc[nH]2)CCCO1 87230865 573839978 /nfs/dbraw/zinc/83/99/78/573839978.db2.gz 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258968921 573840059 /nfs/dbraw/zinc/84/00/59/573840059.db2.gz HUYYMQHQJIPHSP-KCJUWKMLSA-N 0 0 191.230 1.532 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H]([NH3+])c1cc[nH]c1 259207397 573840076 /nfs/dbraw/zinc/84/00/76/573840076.db2.gz DSYUUYAZCHAOFQ-DTWKUNHWSA-N 0 0 196.250 1.371 10 0 ADAERN CC1CCC([C@@H]2COC(N)=N2)CC1 84340292 573840084 /nfs/dbraw/zinc/84/00/84/573840084.db2.gz YZLOIJIQULDUHB-HACHORDNSA-N 0 0 182.267 1.526 10 0 ADAERN O[C@@]1(Cc2ccoc2)CCSC1 84344768 573840095 /nfs/dbraw/zinc/84/00/95/573840095.db2.gz PYEISLDQXVHTRW-SECBINFHSA-N 0 0 184.260 1.690 10 0 ADAERN C[C@]1([C@@H](O)c2ccc[nH]2)CCCO1 87230867 573840098 /nfs/dbraw/zinc/84/00/98/573840098.db2.gz SCHZPZVKAVAYGD-VHSXEESVSA-N 0 0 181.235 1.617 10 0 ADAERN CC(C)[C@H]1CC[N@H+](C)CC[C@@H]1C(=O)[O-] 214988383 573840116 /nfs/dbraw/zinc/84/01/16/573840116.db2.gz ZWDRGLITODLEDY-ZJUUUORDSA-N 0 0 199.294 1.685 10 0 ADAERN CN(c1cnccn1)[C@H]1CCC[C@@H]1F 585297088 573840117 /nfs/dbraw/zinc/84/01/17/573840117.db2.gz 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/nfs/dbraw/zinc/84/03/23/573840323.db2.gz JPHJPKZITFNBOT-JTQLQIEISA-N 0 0 193.246 1.706 10 0 ADAERN COCCCCCC[C@H](C)O 131322504 573840341 /nfs/dbraw/zinc/84/03/41/573840341.db2.gz OETHFQHWPAMYBE-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN Nc1ccc(-c2cncc(F)c2)nc1 122868241 573840343 /nfs/dbraw/zinc/84/03/43/573840343.db2.gz IGEMHSWRTSAZFI-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN C[C@@](F)(CC(=O)[O-])C[NH+]1CCCC1 257887497 573840405 /nfs/dbraw/zinc/84/04/05/573840405.db2.gz WMMSPQUPUTWPNX-SECBINFHSA-N 0 0 189.230 1.285 10 0 ADAERN O[C@]1(Cc2ccoc2)CCSC1 84344773 573840422 /nfs/dbraw/zinc/84/04/22/573840422.db2.gz PYEISLDQXVHTRW-VIFPVBQESA-N 0 0 184.260 1.690 10 0 ADAERN CCOC(=N)[C@@]1(C)CCCO1 87228992 573840440 /nfs/dbraw/zinc/84/04/40/573840440.db2.gz GHDAEAUYTKDWKJ-MRVPVSSYSA-N 0 0 157.213 1.569 10 0 ADAERN CC[C@]1(C)C[C@H](CO)CCO1 84348640 573840475 /nfs/dbraw/zinc/84/04/75/573840475.db2.gz LHHVAVNYUARDHH-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN 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/nfs/dbraw/zinc/84/05/41/573840541.db2.gz NXJQXONJGYUTHC-CAHLUQPWSA-N 0 0 189.305 1.071 10 0 ADAERN C[C@H](O)c1nc([C@]2(C)CCCO2)no1 87229415 573840547 /nfs/dbraw/zinc/84/05/47/573840547.db2.gz RLJICQUJZQMGMI-RCOVLWMOSA-N 0 0 198.222 1.149 10 0 ADAERN C[C@@H]1CCC[C@@H](C2=NO[C@H](CO)C2)C1 84343327 573840551 /nfs/dbraw/zinc/84/05/51/573840551.db2.gz SYWYKLZBRBUGNM-BBBLOLIVSA-N 0 0 197.278 1.950 10 0 ADAERN C[N@H+](CCC1(C(=O)[O-])CC1)C(C)(C)C 214989116 573843962 /nfs/dbraw/zinc/84/39/62/573843962.db2.gz QLOOBLIZKZTBQL-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN COCc1cc(F)ccc1NCCO 308759536 573843964 /nfs/dbraw/zinc/84/39/64/573843964.db2.gz XJKIRPABDBHCRM-UHFFFAOYSA-N 0 0 199.225 1.376 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]2CNC(=O)O2)C1 84348224 573843972 /nfs/dbraw/zinc/84/39/72/573843972.db2.gz DJNSACKAXAGZTN-VGMNWLOBSA-N 0 0 183.251 1.921 10 0 ADAERN CN(c1nccs1)[C@@H]1CC[C@H]1O 585298307 573845743 /nfs/dbraw/zinc/84/57/43/573845743.db2.gz TYTURXPLSHWADK-RNFRBKRXSA-N 0 0 184.264 1.103 10 0 ADAERN CONC[C@@H](O)c1ccc(C)cc1 308449834 573844050 /nfs/dbraw/zinc/84/40/50/573844050.db2.gz CZXMFNOJQCRKMV-SNVBAGLBSA-N 0 0 181.235 1.179 10 0 ADAERN COC(=O)[C@@H](O)C1CCC(C)CC1 84339788 573844059 /nfs/dbraw/zinc/84/40/59/573844059.db2.gz OPKVRUYHMKNHTQ-HACHORDNSA-N 0 0 186.251 1.347 10 0 ADAERN O=C1CC[C@@H](c2cccc(F)c2F)N1 238536348 573844064 /nfs/dbraw/zinc/84/40/64/573844064.db2.gz MFUOJKLOVPTOGK-QMMMGPOBSA-N 0 0 197.184 1.916 10 0 ADAERN CC(C)NC(=S)c1ccccc1N 238160029 573844087 /nfs/dbraw/zinc/84/40/87/573844087.db2.gz NJHHMFDJYZHIMM-UHFFFAOYSA-N 0 0 194.303 1.942 10 0 ADAERN COC(=O)[C@@]1(c2ccccn2)C[C@@H]1C 258967106 573844096 /nfs/dbraw/zinc/84/40/96/573844096.db2.gz HOHINAZQYBOSMZ-KWQFWETISA-N 0 0 191.230 1.532 10 0 ADAERN Cc1ccc([C@H]2CCC(=O)N2)cc1N 238535861 573844099 /nfs/dbraw/zinc/84/40/99/573844099.db2.gz GFXDISUBSNMDJY-SNVBAGLBSA-N 0 0 190.246 1.528 10 0 ADAERN COC/C=C/C(=O)N[C@@H]1CC[C@H]1C 308451701 573844100 /nfs/dbraw/zinc/84/41/00/573844100.db2.gz 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/nfs/dbraw/zinc/84/41/40/573844140.db2.gz LWLAMJGXBNRLMO-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN Cn1oc(=O)c(-c2ccccc2)c1N 238535938 573844165 /nfs/dbraw/zinc/84/41/65/573844165.db2.gz WSZRSHNRWKEYDR-UHFFFAOYSA-N 0 0 190.202 1.228 10 0 ADAERN COc1ccc(CNO)c(SC)c1 214987278 573844167 /nfs/dbraw/zinc/84/41/67/573844167.db2.gz PSYFIILFICQSGE-UHFFFAOYSA-N 0 0 199.275 1.896 10 0 ADAERN COCC=C1CCC(=O)CC1 716245829 573844189 /nfs/dbraw/zinc/84/41/89/573844189.db2.gz DLXBRCGAPHHGQJ-UHFFFAOYSA-N 0 0 154.209 1.702 10 0 ADAERN CN(Cc1ncon1)[C@H]1CCC[C@H]1F 585296833 573844231 /nfs/dbraw/zinc/84/42/31/573844231.db2.gz MAYZMWMWUUKNLA-SFYZADRCSA-N 0 0 199.229 1.392 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1C[C@H]1COC(N)=O 33853680 573844241 /nfs/dbraw/zinc/84/42/41/573844241.db2.gz RJNNLAGCIGXQEP-NKWVEPMBSA-N 0 0 199.250 1.333 10 0 ADAERN Cc1ccnc(N[C@@H]2COC[C@H]2F)c1 585297605 573844242 /nfs/dbraw/zinc/84/42/42/573844242.db2.gz HGRWOVFVFUTUDQ-RKDXNWHRSA-N 0 0 196.225 1.539 10 0 ADAERN CC(=O)[C@@H]1C(C)=C(C)C[C@@]1(C)O 238159744 573844256 /nfs/dbraw/zinc/84/42/56/573844256.db2.gz XHUGCLVEEJXLBO-VHSXEESVSA-N 0 0 168.236 1.683 10 0 ADAERN CC(C)(C)[C@@H]1CC[NH2+]CC[C@H]1C(=O)[O-] 214988538 573844276 /nfs/dbraw/zinc/84/42/76/573844276.db2.gz YYVJNPLCOBLXDM-RKDXNWHRSA-N 0 0 199.294 1.733 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)C[C@@H]2O[C@@H]21 238160023 573844278 /nfs/dbraw/zinc/84/42/78/573844278.db2.gz BVDYBYYQHBKSRF-HRDYMLBCSA-N 0 0 168.236 1.779 10 0 ADAERN O=C(N[C@@H]1CCC[C@@H]1F)c1ccno1 585297469 573844291 /nfs/dbraw/zinc/84/42/91/573844291.db2.gz DXWGZTDOXQNPSO-NKWVEPMBSA-N 0 0 198.197 1.295 10 0 ADAERN Cc1nc(CN[C@@H]2CC23CC3)oc1C 715356861 573844305 /nfs/dbraw/zinc/84/43/05/573844305.db2.gz RUIZNVJAGLBPLQ-SECBINFHSA-N 0 0 192.262 1.934 10 0 ADAERN Cc1oc(C)c2c(=O)c1CC2 238537154 573844326 /nfs/dbraw/zinc/84/43/26/573844326.db2.gz CAQJULSNTGYIFF-UHFFFAOYSA-N 0 0 150.177 1.355 10 0 ADAERN CC[C@@H](O)/C(C)=C/C(C)=C/C(=O)OC 308450395 573844347 /nfs/dbraw/zinc/84/43/47/573844347.db2.gz QWWRNFRNQYXMPL-RHRNTJBDSA-N 0 0 198.262 1.823 10 0 ADAERN CC(=O)[C@@H]1CC(=O)CC1(C)C 238160633 573844369 /nfs/dbraw/zinc/84/43/69/573844369.db2.gz ZILABYSUWQPSEE-QMMMGPOBSA-N 0 0 154.209 1.581 10 0 ADAERN Cc1csc(N(C)[C@@H]2CC[C@H]2O)n1 585297402 573844397 /nfs/dbraw/zinc/84/43/97/573844397.db2.gz COFYIVPHOSPVCB-HTQZYQBOSA-N 0 0 198.291 1.411 10 0 ADAERN Cc1c(N)cnc2c(O)cccc12 257887307 573844403 /nfs/dbraw/zinc/84/44/03/573844403.db2.gz MVDKFKQCGRUQDY-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN [NH3+]C1(c2ccc(O)cc2C(=O)[O-])CC1 257887469 573844423 /nfs/dbraw/zinc/84/44/23/573844423.db2.gz WLRIDPJZOVMAOG-UHFFFAOYSA-N 0 0 193.202 1.038 10 0 ADAERN CC(=O)C1=C(C)NCC1(C)C 238159860 573844427 /nfs/dbraw/zinc/84/44/27/573844427.db2.gz WQHDFIBISWPMON-QMMMGPOBSA-N 0 0 153.225 1.692 10 0 ADAERN CC(C)C[N@H+](C)CCC1(C(=O)[O-])CC1 214989181 573844446 /nfs/dbraw/zinc/84/44/46/573844446.db2.gz MBRJRCKQJIIMED-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN COC(=O)CCN(C)c1ccc[nH]1 258966876 573844447 /nfs/dbraw/zinc/84/44/47/573844447.db2.gz UPBXGTUBDCUZSG-UHFFFAOYSA-N 0 0 182.223 1.014 10 0 ADAERN Cc1c(C(=O)[O-])nc2n1CCCC2 238536347 573844467 /nfs/dbraw/zinc/84/44/67/573844467.db2.gz WJPIWHJCHZHJIO-UHFFFAOYSA-N 0 0 180.207 1.226 10 0 ADAERN CCC[C@H](C)[C@H](O)c1ncnn1CC 308450611 573844488 /nfs/dbraw/zinc/84/44/88/573844488.db2.gz CCUPHZVQXDDMSQ-IUCAKERBSA-N 0 0 197.282 1.768 10 0 ADAERN CC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1O 585297288 573844494 /nfs/dbraw/zinc/84/44/94/573844494.db2.gz AHOFOQSSXJHOFP-MNOVXSKESA-N 0 0 197.278 1.301 10 0 ADAERN CC(=O)c1nccc2oc(C)nc12 238159767 573844512 /nfs/dbraw/zinc/84/45/12/573844512.db2.gz YRAPSUVGNKVKNS-UHFFFAOYSA-N 0 0 176.175 1.734 10 0 ADAERN CC(=O)CC[C@H]1CCCOC1 84349381 573844516 /nfs/dbraw/zinc/84/45/16/573844516.db2.gz XBIDXWPVYXUKCG-SECBINFHSA-N 0 0 156.225 1.782 10 0 ADAERN Cc1cc(N)c(C)c2c1COC2 198612819 573844532 /nfs/dbraw/zinc/84/45/32/573844532.db2.gz YIZNGEMRPMSAEX-UHFFFAOYSA-N 0 0 163.220 1.916 10 0 ADAERN CC[C@@H](C)C[C@@H](C)N1CNCC1=O 127402744 573844534 /nfs/dbraw/zinc/84/45/34/573844534.db2.gz QJWUDWJTWCKSRE-RKDXNWHRSA-N 0 0 184.283 1.200 10 0 ADAERN CC1(C)C[C@H](C(=O)[O-])C[N@@H+]1C1CC1 259209981 573844542 /nfs/dbraw/zinc/84/45/42/573844542.db2.gz CNGOAWKRWKGRQF-ZETCQYMHSA-N 0 0 183.251 1.334 10 0 ADAERN CC(C)OCc1cncc(N)c1 257887352 573844555 /nfs/dbraw/zinc/84/45/55/573844555.db2.gz IGHJHSHKEJRGAP-UHFFFAOYSA-N 0 0 166.224 1.589 10 0 ADAERN CN(c1ncccn1)[C@@H]1CCC[C@H]1F 585297249 573844558 /nfs/dbraw/zinc/84/45/58/573844558.db2.gz ZNIOBLBZGGZSPX-RKDXNWHRSA-N 0 0 195.241 1.803 10 0 ADAERN O=C(N[C@H]1CCC[C@H]1F)c1ccno1 585297471 573844565 /nfs/dbraw/zinc/84/45/65/573844565.db2.gz DXWGZTDOXQNPSO-RQJHMYQMSA-N 0 0 198.197 1.295 10 0 ADAERN Cc1nn(C)c(C)c1CC[C@@H](C)O 84350439 573844567 /nfs/dbraw/zinc/84/45/67/573844567.db2.gz ZQQAIUQLPCMLTB-SSDOTTSWSA-N 0 0 182.267 1.350 10 0 ADAERN Cc1c(O)cc(C(F)F)[nH]c1=O 238537174 573844568 /nfs/dbraw/zinc/84/45/68/573844568.db2.gz SDAXQISAJRRTMO-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN C[C@H](O)CCc1cn2ccccc2n1 84350713 573844632 /nfs/dbraw/zinc/84/46/32/573844632.db2.gz GARRPFFWYAYVDD-VIFPVBQESA-N 0 0 190.246 1.648 10 0 ADAERN C[C@@H](O)Cc1ccc(F)c2c1OCO2 258158077 573844639 /nfs/dbraw/zinc/84/46/39/573844639.db2.gz UVKSRDFZEDRZTI-ZCFIWIBFSA-N 0 0 198.193 1.478 10 0 ADAERN CC(C)[C@H](O)COc1cccc(O)c1 258160476 573844647 /nfs/dbraw/zinc/84/46/47/573844647.db2.gz NMTZMANHNYRMLG-LLVKDONJSA-N 0 0 196.246 1.788 10 0 ADAERN C[C@@]1(c2nc(N)ns2)CCCO1 87231489 573844665 /nfs/dbraw/zinc/84/46/65/573844665.db2.gz VJGCDUWBDDXTOS-ZETCQYMHSA-N 0 0 185.252 1.146 10 0 ADAERN C[C@@H](CO)c1cccc2cnncc12 258158060 573844680 /nfs/dbraw/zinc/84/46/80/573844680.db2.gz UUXSHMRKJZZSLP-QMMMGPOBSA-N 0 0 188.230 1.726 10 0 ADAERN Cc1nc2c3nc(N)nc-3cccc2[nH]1 238524699 573844691 /nfs/dbraw/zinc/84/46/91/573844691.db2.gz PNVZTNJNZFGSOL-UHFFFAOYSA-N 0 0 199.217 1.348 10 0 ADAERN COc1ccc(C[C@H](C)O)c(C=O)c1 258158093 573844696 /nfs/dbraw/zinc/84/46/96/573844696.db2.gz UWOYLZXVHROQOK-QMMMGPOBSA-N 0 0 194.230 1.431 10 0 ADAERN COc1c(C)ccc(CCON)c1O 258160573 573845764 /nfs/dbraw/zinc/84/57/64/573845764.db2.gz UXXJGMKVISPEHV-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN CC(=O)c1nccc2n[nH]cc12 238159271 573845766 /nfs/dbraw/zinc/84/57/66/573845766.db2.gz HXDNSZBHGQOPER-UHFFFAOYSA-N 0 0 161.164 1.161 10 0 ADAERN Cn1oc(N)c(-c2ccccc2)c1=O 238535983 573845773 /nfs/dbraw/zinc/84/57/73/573845773.db2.gz DWOOGZPVSMIGJY-UHFFFAOYSA-N 0 0 190.202 1.228 10 0 ADAERN C[NH2+]CCCc1cccc(C(=O)[O-])c1 259574420 573845791 /nfs/dbraw/zinc/84/57/91/573845791.db2.gz TWEOBHYUMCMXFX-UHFFFAOYSA-N 0 0 193.246 1.537 10 0 ADAERN COCC[N@H+](C(C)C)[C@H]1CCCC1=O 131355767 573845798 /nfs/dbraw/zinc/84/57/98/573845798.db2.gz UEMWZIXIQHHOQP-JTQLQIEISA-N 0 0 199.294 1.465 10 0 ADAERN Cc1cc(C=O)cc2cn(C)nc12 259574062 573845819 /nfs/dbraw/zinc/84/58/19/573845819.db2.gz WRMAZCVEUQWDPZ-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN CC(=O)C(=O)N(C)c1ccccc1F 258970507 573845853 /nfs/dbraw/zinc/84/58/53/573845853.db2.gz OVAQBGLVLRYWHJ-UHFFFAOYSA-N 0 0 195.193 1.378 10 0 ADAERN C/C(=C\C[NH2+][C@@H](C)C1CCC1)C(=O)[O-] 308452757 573845887 /nfs/dbraw/zinc/84/58/87/573845887.db2.gz UGFDVPMVECDWPU-ORZBULNSSA-N 0 0 197.278 1.796 10 0 ADAERN Cc1nccc(-c2nc(Cl)n[nH]2)n1 125246367 573845890 /nfs/dbraw/zinc/84/58/90/573845890.db2.gz OEDNDYGJMXERMW-UHFFFAOYSA-N 0 0 195.613 1.224 10 0 ADAERN Cn1c(CON)cc2cc(F)ccc21 258160747 573845892 /nfs/dbraw/zinc/84/58/92/573845892.db2.gz LSZLHXUXMVVIHE-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN CCc1nc(CN(O)C(C)C)no1 308452503 573845895 /nfs/dbraw/zinc/84/58/95/573845895.db2.gz FAMNMQGBZXWTSP-UHFFFAOYSA-N 0 0 185.227 1.232 10 0 ADAERN F[C@@H]1COC[C@@H]1Nc1nccs1 585298205 573845897 /nfs/dbraw/zinc/84/58/97/573845897.db2.gz RIWPKBXVMDLGCC-RITPCOANSA-N 0 0 188.227 1.292 10 0 ADAERN NOCCc1cc(F)cc(F)c1O 258160594 573845920 /nfs/dbraw/zinc/84/59/20/573845920.db2.gz UYUPHDMICPIHNL-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN CC(C)n1[n-]c2c(c1=O)[C@@H](C)[NH2+]C2 259623275 573845935 /nfs/dbraw/zinc/84/59/35/573845935.db2.gz FOXAGMPHUSPZLX-ZCFIWIBFSA-N 0 0 181.239 1.334 10 0 ADAERN CN(Cc1cocn1)[C@@H]1CCC[C@H]1O 585298670 573845958 /nfs/dbraw/zinc/84/59/58/573845958.db2.gz YXKCLBGIDMIKIE-NXEZZACHSA-N 0 0 196.250 1.020 10 0 ADAERN Cc1[nH]c2ccccc2c1NCO 258970247 573846008 /nfs/dbraw/zinc/84/60/08/573846008.db2.gz UYSUFADDBMQRGA-UHFFFAOYSA-N 0 0 176.219 1.838 10 0 ADAERN C[C@H](O)CCc1cccn1C 84350509 573846055 /nfs/dbraw/zinc/84/60/55/573846055.db2.gz BQQQHQTVSDNZLO-QMMMGPOBSA-N 0 0 153.225 1.339 10 0 ADAERN CC(C)C[C@@H]1NC(=O)N[C@@H]1C 238160314 573846069 /nfs/dbraw/zinc/84/60/69/573846069.db2.gz AQVODMGPVMCICS-RQJHMYQMSA-N 0 0 156.229 1.102 10 0 ADAERN Cc1ccc2nc[nH]c(=O)c2c1Cl 238536508 573846082 /nfs/dbraw/zinc/84/60/82/573846082.db2.gz ONULHIQCLVHYHA-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN F[C@H]1COC[C@H]1Nc1nccs1 585298203 573846098 /nfs/dbraw/zinc/84/60/98/573846098.db2.gz RIWPKBXVMDLGCC-NTSWFWBYSA-N 0 0 188.227 1.292 10 0 ADAERN CC(C)c1cnc([C@@H]2COCCN2)o1 257888565 573846106 /nfs/dbraw/zinc/84/61/06/573846106.db2.gz WQCPNUUFDKQQDG-QMMMGPOBSA-N 0 0 196.250 1.459 10 0 ADAERN C[C@H]([NH3+])c1c(F)c([O-])cc(F)c1F 258160514 573846107 /nfs/dbraw/zinc/84/61/07/573846107.db2.gz UXEJLDMSKIKZPD-VKHMYHEASA-N 0 0 191.152 1.829 10 0 ADAERN O=C1Nc2ccc(F)cc2C2(CC2)N1 259623329 573846127 /nfs/dbraw/zinc/84/61/27/573846127.db2.gz FPPPFCPGBSGBDH-UHFFFAOYSA-N 0 0 192.193 1.950 10 0 ADAERN C[C@@H](O)[C@@H]1CSc2ccc(O)cc21 258159988 573846142 /nfs/dbraw/zinc/84/61/42/573846142.db2.gz RMWODSKVFQQVGW-MUWHJKNJSA-N 0 0 196.271 1.962 10 0 ADAERN C[N@H+](C[C@H]1C[C@H]1C(=O)[O-])C1CCC1 258971849 573846171 /nfs/dbraw/zinc/84/61/71/573846171.db2.gz XCKCQRKBCRBSQY-VXNVDRBHSA-N 0 0 183.251 1.191 10 0 ADAERN CCN(OC)C(=O)C[C@@H]1C=CCC1 308453221 573846182 /nfs/dbraw/zinc/84/61/82/573846182.db2.gz FEICMFQCYVOERD-SECBINFHSA-N 0 0 183.251 1.753 10 0 ADAERN Cn1c(=S)[nH]c(=S)n1C 238536503 573846192 /nfs/dbraw/zinc/84/61/92/573846192.db2.gz ZIHBAVSRAOZMIH-UHFFFAOYSA-N 0 0 161.255 1.151 10 0 ADAERN CC(=O)c1nccc2c[nH]nc12 238159591 573846203 /nfs/dbraw/zinc/84/62/03/573846203.db2.gz RVVWIGAHNMWTET-UHFFFAOYSA-N 0 0 161.164 1.161 10 0 ADAERN COP(=O)(OC)[C@@H](C)O[C@@H](C)O 238359825 573846205 /nfs/dbraw/zinc/84/62/05/573846205.db2.gz ANIDSZXAQKLHEA-WDSKDSINSA-N 0 0 198.155 1.173 10 0 ADAERN CCC[C@H](C)[C@H]1COC[C@H]1O 687966525 573846217 /nfs/dbraw/zinc/84/62/17/573846217.db2.gz LIPIFLDPMRXZEZ-DJLDLDEBSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)COc1cnc(N)nc1 238159415 573846272 /nfs/dbraw/zinc/84/62/72/573846272.db2.gz BNNYZIDDNPDUTR-UHFFFAOYSA-N 0 0 167.212 1.094 10 0 ADAERN Cc1cc(O)c2[nH]cc(C=O)c2c1 257888171 573846282 /nfs/dbraw/zinc/84/62/82/573846282.db2.gz MZCURTYVPKQEEJ-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN C[C@]1(c2cnc(CN)o2)CCCO1 87231502 573846298 /nfs/dbraw/zinc/84/62/98/573846298.db2.gz VIMUZPNKNSBNNR-SECBINFHSA-N 0 0 182.223 1.159 10 0 ADAERN OC[C@@H]1CCOc2ccc(O)cc21 257889334 573846301 /nfs/dbraw/zinc/84/63/01/573846301.db2.gz NDLSSMTUMGDKJE-ZETCQYMHSA-N 0 0 180.203 1.251 10 0 ADAERN Cc1nn(-c2ccccc2O)nc1C 238536810 573846311 /nfs/dbraw/zinc/84/63/11/573846311.db2.gz BHUFCWHNRDZYFW-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN Cn1c(N)cc(=S)n(C)c1=S 238536431 573846320 /nfs/dbraw/zinc/84/63/20/573846320.db2.gz VFJJWVGAVBDRJU-UHFFFAOYSA-N 0 0 187.293 1.405 10 0 ADAERN Cc1cc(C)c(N(C)CNN)cc1C 258972304 573846346 /nfs/dbraw/zinc/84/63/46/573846346.db2.gz BRQCXTYHVJQLDR-UHFFFAOYSA-N 0 0 193.294 1.469 10 0 ADAERN C[C@H](O)[C@H]1CSc2ccc(O)cc21 258159984 573846353 /nfs/dbraw/zinc/84/63/53/573846353.db2.gz RMWODSKVFQQVGW-IMTBSYHQSA-N 0 0 196.271 1.962 10 0 ADAERN C[C@@]12O[C@@H](C=C1Cl)CC2=O 238536825 573846355 /nfs/dbraw/zinc/84/63/55/573846355.db2.gz WZGNXEKZAMSAHD-MHTLYPKNSA-N 0 0 158.584 1.239 10 0 ADAERN Cc1ccc([C@H]2CCC(=O)N2)cc1O 238535875 573846361 /nfs/dbraw/zinc/84/63/61/573846361.db2.gz HGILWTZSTUFQBD-SECBINFHSA-N 0 0 191.230 1.652 10 0 ADAERN Oc1cc2c(cc1C1(O)CC1)COC2 258158075 573846363 /nfs/dbraw/zinc/84/63/63/573846363.db2.gz UVJRIIVERHTMHP-UHFFFAOYSA-N 0 0 192.214 1.404 10 0 ADAERN COCCCC[C@@H]1CC[C@@H](O)C1 131323269 573846371 /nfs/dbraw/zinc/84/63/71/573846371.db2.gz ATQJZNQFGKQOSY-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1nc(F)c(C(F)F)cc1CO 238536717 573846372 /nfs/dbraw/zinc/84/63/72/573846372.db2.gz BADLODCXPJXHDK-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C[C@H](N)c1ncc([C@@]2(C)CCCO2)o1 87231506 573849609 /nfs/dbraw/zinc/84/96/09/573849609.db2.gz NMFJVMLVTXYFEH-OIBJUYFYSA-N 0 0 196.250 1.720 10 0 ADAERN CC(C)(O)CCNC(=O)[C@@H]1CC1(C)C 308451825 573849625 /nfs/dbraw/zinc/84/96/25/573849625.db2.gz BRHRTVQTAPHGCT-QMMMGPOBSA-N 0 0 199.294 1.310 10 0 ADAERN CN(c1ccccn1)[C@@H]1CC[C@@H]1O 585298545 573849647 /nfs/dbraw/zinc/84/96/47/573849647.db2.gz XAHAZQFVZLPHOO-BDAKNGLRSA-N 0 0 178.235 1.041 10 0 ADAERN COc1ccc(C2(O)COC2)cc1C 258517023 573849662 /nfs/dbraw/zinc/84/96/62/573849662.db2.gz GPRKHMJWWDTWOI-UHFFFAOYSA-N 0 0 194.230 1.221 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccncc1Cl 585298407 573848928 /nfs/dbraw/zinc/84/89/28/573848928.db2.gz VGBSRYVCFKFPIG-DTWKUNHWSA-N 0 0 198.653 1.092 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ncccc1F 585298281 573848940 /nfs/dbraw/zinc/84/89/40/573848940.db2.gz SJUJLHMOSVFHNG-YUMQZZPRSA-N 0 0 182.198 1.156 10 0 ADAERN CC(=O)c1cnc(C(C)=O)s1 238153092 573848941 /nfs/dbraw/zinc/84/89/41/573848941.db2.gz KTUREEUSVXRCCW-UHFFFAOYSA-N 0 0 169.205 1.548 10 0 ADAERN COCCCCC[C@H](C)CO 131327953 573848945 /nfs/dbraw/zinc/84/89/45/573848945.db2.gz QJARQGIKRSPGEE-VIFPVBQESA-N 0 0 160.257 1.822 10 0 ADAERN CC(C)C[N@@H+]1CCC[C@@H](C(=O)[O-])[C@@H]1C 238150432 573848958 /nfs/dbraw/zinc/84/89/58/573848958.db2.gz LADXNTLNKYSLDJ-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccc(Cl)cn1 585298557 573849677 /nfs/dbraw/zinc/84/96/77/573849677.db2.gz XEVLIXRHIDAPLA-JGVFFNPUSA-N 0 0 198.653 1.670 10 0 ADAERN CC(C)OCCN(C)C(=O)N(C)C 131347338 573849679 /nfs/dbraw/zinc/84/96/79/573849679.db2.gz FTIRODVLEPRPES-UHFFFAOYSA-N 0 0 188.271 1.025 10 0 ADAERN CC1(C)CCN(c2ncc(N)cn2)C1 87232423 573849688 /nfs/dbraw/zinc/84/96/88/573849688.db2.gz RJMSHNVWXUGDBU-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN F[C@H]1COC[C@@H]1Nc1nccs1 585298206 573849022 /nfs/dbraw/zinc/84/90/22/573849022.db2.gz RIWPKBXVMDLGCC-WDSKDSINSA-N 0 0 188.227 1.292 10 0 ADAERN CC(=O)c1cn(C)c2cccc(N)c12 238152410 573849040 /nfs/dbraw/zinc/84/90/40/573849040.db2.gz FDPZIHZGQPBBPY-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN COc1c(CO)cnn1CC(C)C 258161226 573849044 /nfs/dbraw/zinc/84/90/44/573849044.db2.gz YKVMZWCGRYIBLC-UHFFFAOYSA-N 0 0 184.239 1.040 10 0 ADAERN CC(=O)c1cc[nH]c(=O)c1F 238151795 573849063 /nfs/dbraw/zinc/84/90/63/573849063.db2.gz CKXICDHVMKLVOS-UHFFFAOYSA-N 0 0 155.128 1.129 10 0 ADAERN C[C@H](O)CC[C@@H]1CCCOC1 84350749 573849079 /nfs/dbraw/zinc/84/90/79/573849079.db2.gz BNOQAXQXOHCGGI-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)Oc1cc(N)cnc1F 238151985 573849083 /nfs/dbraw/zinc/84/90/83/573849083.db2.gz MIVISWSQRRLTPQ-UHFFFAOYSA-N 0 0 170.187 1.590 10 0 ADAERN C[C@@]1(c2cnc(CN)o2)CCCO1 87231503 573849100 /nfs/dbraw/zinc/84/91/00/573849100.db2.gz VIMUZPNKNSBNNR-VIFPVBQESA-N 0 0 182.223 1.159 10 0 ADAERN COC(C)(C)CO[C@@H]1CCC(=O)C1 393593671 573849101 /nfs/dbraw/zinc/84/91/01/573849101.db2.gz UMBYZOCCSNCLBL-SECBINFHSA-N 0 0 186.251 1.550 10 0 ADAERN CN(CC(C)(C)O)c1ccc[nH]1 258972294 573849142 /nfs/dbraw/zinc/84/91/42/573849142.db2.gz ZCGGLKQTFZZSJY-UHFFFAOYSA-N 0 0 168.240 1.222 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)C[C@H](C)OC 308452933 573849168 /nfs/dbraw/zinc/84/91/68/573849168.db2.gz FAZRZYPBXUYJNX-YIZRAAEISA-N 0 0 185.267 1.326 10 0 ADAERN CN(Cc1cocn1)[C@H]1CCC[C@H]1O 585298672 573849174 /nfs/dbraw/zinc/84/91/74/573849174.db2.gz YXKCLBGIDMIKIE-VHSXEESVSA-N 0 0 196.250 1.020 10 0 ADAERN OCC[C@H](F)C1CCCC1 258516970 573849178 /nfs/dbraw/zinc/84/91/78/573849178.db2.gz LWPCJROGPRNQCU-QMMMGPOBSA-N 0 0 146.205 1.897 10 0 ADAERN Cc1nc([C@@H](CC2CCC2)NN)co1 308452507 573849187 /nfs/dbraw/zinc/84/91/87/573849187.db2.gz CTMZSWHAYSFZDT-SECBINFHSA-N 0 0 195.266 1.678 10 0 ADAERN CC(=O)c1cnc(C(C)(C)F)nc1 238153051 573849192 /nfs/dbraw/zinc/84/91/92/573849192.db2.gz UUSHHNLKOJIVTK-UHFFFAOYSA-N 0 0 182.198 1.884 10 0 ADAERN CC(=O)Nc1cc(OC(C)C)ncn1 238152155 573849223 /nfs/dbraw/zinc/84/92/23/573849223.db2.gz HGTKWDLLPUWGFJ-UHFFFAOYSA-N 0 0 195.222 1.222 10 0 ADAERN CCOC(=O)c1cn(C)c(Cl)n1 259574834 573849263 /nfs/dbraw/zinc/84/92/63/573849263.db2.gz JQNVZVMXRHFRIZ-UHFFFAOYSA-N 0 0 188.614 1.250 10 0 ADAERN CC(C)C[C@@H](O)[C@H]1COC(C)(C)O1 238153033 573849267 /nfs/dbraw/zinc/84/92/67/573849267.db2.gz BJIBUHISHNJRCG-RKDXNWHRSA-N 0 0 188.267 1.545 10 0 ADAERN CC(C)(C(=O)[O-])C1CCC([NH3+])CC1 238152175 573849354 /nfs/dbraw/zinc/84/93/54/573849354.db2.gz LVHZNXAJQYYHHQ-UHFFFAOYSA-N 0 0 185.267 1.615 10 0 ADAERN OC[C@H]1CCOc2ccc(O)cc21 257889333 573849380 /nfs/dbraw/zinc/84/93/80/573849380.db2.gz NDLSSMTUMGDKJE-SSDOTTSWSA-N 0 0 180.203 1.251 10 0 ADAERN FC(F)CNCCOC(F)(F)F 147599859 573849411 /nfs/dbraw/zinc/84/94/11/573849411.db2.gz MLCIRKWIIHNSME-UHFFFAOYSA-N 0 0 193.115 1.378 10 0 ADAERN CC[C@H](C[C@](C)(O)CC)[C@H](C)O 253287149 573849499 /nfs/dbraw/zinc/84/94/99/573849499.db2.gz PDMOFEFEGKBIAO-IVZWLZJFSA-N 0 0 174.284 1.945 10 0 ADAERN Nc1c(CO)cnn1C1CCCCC1 257887972 573849512 /nfs/dbraw/zinc/84/95/12/573849512.db2.gz GHTVFDDJMANSIV-UHFFFAOYSA-N 0 0 195.266 1.463 10 0 ADAERN CN(c1ccc(F)cn1)[C@H]1CC[C@@H]1O 585298190 573849519 /nfs/dbraw/zinc/84/95/19/573849519.db2.gz RFTGEDUZUSQBQZ-IUCAKERBSA-N 0 0 196.225 1.180 10 0 ADAERN CC(=O)c1cn(C)c2cc(N)ccc12 238152349 573849529 /nfs/dbraw/zinc/84/95/29/573849529.db2.gz DRZYENLETGIGCB-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN O=C1N[C@@H](c2ccccc2)[C@H]1F 238531093 573849568 /nfs/dbraw/zinc/84/95/68/573849568.db2.gz YIWIHTWNUFNIPO-SFYZADRCSA-N 0 0 165.167 1.196 10 0 ADAERN Cn1cnc(C(=O)[C@@H]2CC2(C)C)n1 714758870 573851260 /nfs/dbraw/zinc/85/12/60/573851260.db2.gz OGINPHKXZJOYOS-LURJTMIESA-N 0 0 179.223 1.044 10 0 ADAERN COc1cc2c(cc1CON)OCC2 258163076 573850618 /nfs/dbraw/zinc/85/06/18/573850618.db2.gz VEXYBVGHOXMIRD-UHFFFAOYSA-N 0 0 195.218 1.020 10 0 ADAERN Cc1nc(COc2cccnc2)c[nH]1 258154260 573851270 /nfs/dbraw/zinc/85/12/70/573851270.db2.gz LMFFYEHXZFHNBL-UHFFFAOYSA-N 0 0 189.218 1.692 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)CC[C@H]1O 238150553 573851273 /nfs/dbraw/zinc/85/12/73/573851273.db2.gz VPHQHPQTZNLQDK-RKDXNWHRSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@]1(O)CCCSC1 84327377 573851288 /nfs/dbraw/zinc/85/12/88/573851288.db2.gz KXVRSNJZRNYSSV-ZCFIWIBFSA-N 0 0 132.228 1.264 10 0 ADAERN CC(C)[C@H](O)c1cccc(O)c1N 257889306 573851292 /nfs/dbraw/zinc/85/12/92/573851292.db2.gz NCGNBGVYAPDQBC-JTQLQIEISA-N 0 0 181.235 1.664 10 0 ADAERN C[C@H]1C[C@H]1CN(C)C(=O)NC1CC1 127403359 573851322 /nfs/dbraw/zinc/85/13/22/573851322.db2.gz RLUIGONIAGXGDM-YUMQZZPRSA-N 0 0 182.267 1.446 10 0 ADAERN CC(=O)OCNC(=O)OC(C)(C)C 238150949 573851330 /nfs/dbraw/zinc/85/13/30/573851330.db2.gz XPQGLWNLNDCAFQ-UHFFFAOYSA-N 0 0 189.211 1.032 10 0 ADAERN CC(C)([NH3+])c1ccc(F)cc1C(=O)[O-] 238153116 573851342 /nfs/dbraw/zinc/85/13/42/573851342.db2.gz UMAYZDCHQBZTOE-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN CC1(O)CN(CCc2ccsc2)C1 84356139 573850635 /nfs/dbraw/zinc/85/06/35/573850635.db2.gz ZFDGGGKXUYYLGX-UHFFFAOYSA-N 0 0 197.303 1.357 10 0 ADAERN Cc1nc2c(n1CO)CCCC2 238539359 573850641 /nfs/dbraw/zinc/85/06/41/573850641.db2.gz KAIASRCVPJKGRA-UHFFFAOYSA-N 0 0 166.224 1.020 10 0 ADAERN CC(C)(C)[C@H]([NH3+])[C@H]1C[C@@H]1C(=O)[O-] 259213026 573850651 /nfs/dbraw/zinc/85/06/51/573850651.db2.gz GMRLRVLPAOKAPI-LYFYHCNISA-N 0 0 171.240 1.081 10 0 ADAERN C[C@@]1(Cn2cn[nH]c2=S)CCCO1 87257003 573850662 /nfs/dbraw/zinc/85/06/62/573850662.db2.gz VGFGPVISJUQOPD-QMMMGPOBSA-N 0 0 199.279 1.510 10 0 ADAERN CCC1(O)CN(c2ccc(C)cn2)C1 84358892 573850681 /nfs/dbraw/zinc/85/06/81/573850681.db2.gz VXMXXWSPZLQLCG-UHFFFAOYSA-N 0 0 192.262 1.351 10 0 ADAERN CC(C)([NH3+])c1ccc(F)c(C(=O)[O-])c1 238152813 573850687 /nfs/dbraw/zinc/85/06/87/573850687.db2.gz HZNXNHVYXLFRTE-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN CCC1(CC)CCN(N)C1 87260394 573850693 /nfs/dbraw/zinc/85/06/93/573850693.db2.gz ULEQXRJUFGXNFM-UHFFFAOYSA-N 0 0 142.246 1.372 10 0 ADAERN Cc1ncc([C@H](C)CO)o1 257889218 573850699 /nfs/dbraw/zinc/85/06/99/573850699.db2.gz AXPRPAMGQXORFF-RXMQYKEDSA-N 0 0 141.170 1.079 10 0 ADAERN CC(=O)[C@@H](C)[N@@H+]1CCC(C)(C)C1 87256862 573850706 /nfs/dbraw/zinc/85/07/06/573850706.db2.gz JNBGPEMXUFDHEQ-MRVPVSSYSA-N 0 0 169.268 1.696 10 0 ADAERN CCNc1nc(COC)ncc1OC 308454074 573850718 /nfs/dbraw/zinc/85/07/18/573850718.db2.gz CQWCYINCQXBSFQ-UHFFFAOYSA-N 0 0 197.238 1.063 10 0 ADAERN CC(C)[C@@H](CO)CCC1OCCO1 238151595 573850755 /nfs/dbraw/zinc/85/07/55/573850755.db2.gz LPZPVIBXBWKGGW-SECBINFHSA-N 0 0 188.267 1.404 10 0 ADAERN CCn1nc(C)c2c1N[C@@H](C)CN2 87260538 573850758 /nfs/dbraw/zinc/85/07/58/573850758.db2.gz VCEPTUDDSJYUJZ-LURJTMIESA-N 0 0 180.255 1.437 10 0 ADAERN CC(=O)c1cc[nH]c(=O)c1C 238151752 573850774 /nfs/dbraw/zinc/85/07/74/573850774.db2.gz ZYOIDDLAMUBRON-UHFFFAOYSA-N 0 0 151.165 1.298 10 0 ADAERN Cc1nc2c(nc1C)SCC(=N)N2 238541533 573850791 /nfs/dbraw/zinc/85/07/91/573850791.db2.gz ODAPNKXCCXKEJX-UHFFFAOYSA-N 0 0 194.263 1.188 10 0 ADAERN C[C@@](O)(CNN)C1CCCCCC1 257889349 573850793 /nfs/dbraw/zinc/85/07/93/573850793.db2.gz NDTALASTEHQWGH-SNVBAGLBSA-N 0 0 186.299 1.171 10 0 ADAERN Cc1cc2c(c([C@@H](C)O)c1)OCCO2 258155339 573850794 /nfs/dbraw/zinc/85/07/94/573850794.db2.gz ULNAYFOBWMQQOQ-MRVPVSSYSA-N 0 0 194.230 1.820 10 0 ADAERN CC(C)([NH3+])c1cc([O-])c(F)c(F)c1 238150988 573850805 /nfs/dbraw/zinc/85/08/05/573850805.db2.gz PHQHIFMBLYVOMR-UHFFFAOYSA-N 0 0 187.189 1.864 10 0 ADAERN Cc1ccc2c(c1)NC[C@@](C)(O)C2 257889312 573850825 /nfs/dbraw/zinc/85/08/25/573850825.db2.gz NCLYQDOHAKZELV-NSHDSACASA-N 0 0 177.247 1.714 10 0 ADAERN Cc1ccc(O)c([C@H]2CNC(=O)C2)c1 238530696 573850826 /nfs/dbraw/zinc/85/08/26/573850826.db2.gz CZIJCJRJDOIKHW-MRVPVSSYSA-N 0 0 191.230 1.304 10 0 ADAERN CCc1ccsc1CNC(N)=O 87257020 573850894 /nfs/dbraw/zinc/85/08/94/573850894.db2.gz PIVBTWQETKFRNG-UHFFFAOYSA-N 0 0 184.264 1.479 10 0 ADAERN O[C@H]1CC[C@@H]1N1CCc2ccccc21 585298752 573850905 /nfs/dbraw/zinc/85/09/05/573850905.db2.gz CKDWYEVYXYJYNO-RYUDHWBXSA-N 0 0 189.258 1.572 10 0 ADAERN C[C@@H]1CCC[C@@H](OCCC(N)=O)C1 43639452 573850919 /nfs/dbraw/zinc/85/09/19/573850919.db2.gz VKVIJWNJTKDBRU-RKDXNWHRSA-N 0 0 185.267 1.457 10 0 ADAERN CCOC(=N)[C@H](C)OC 79531510 573850926 /nfs/dbraw/zinc/85/09/26/573850926.db2.gz RMANEJTYADOPSW-YFKPBYRVSA-N 0 0 131.175 1.035 10 0 ADAERN CN(c1ccc(O)cc1)[C@H]1CC[C@H]1O 585298907 573850932 /nfs/dbraw/zinc/85/09/32/573850932.db2.gz QVVJFXOTHOGBFS-WDEREUQCSA-N 0 0 193.246 1.352 10 0 ADAERN Cc1ccc(O)c(N[C@@H]2CC[C@H]2O)c1 585298729 573850945 /nfs/dbraw/zinc/85/09/45/573850945.db2.gz ATWIMIUPTHGAJE-PSASIEDQSA-N 0 0 193.246 1.636 10 0 ADAERN CCCCCCOCC(N)=O 43639442 573850947 /nfs/dbraw/zinc/85/09/47/573850947.db2.gz QBEGDQFPZCAZOR-UHFFFAOYSA-N 0 0 159.229 1.069 10 0 ADAERN CC(C)Oc1cc(N)c(N)c(F)c1 238151543 573850980 /nfs/dbraw/zinc/85/09/80/573850980.db2.gz QOIMEOSKNWVUHA-UHFFFAOYSA-N 0 0 184.214 1.777 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCC(C)(C)C1 87256600 573850985 /nfs/dbraw/zinc/85/09/85/573850985.db2.gz VKHJNSGVBLJPHR-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1cccc([C@@H](F)C(N)=O)c1 238541552 573850986 /nfs/dbraw/zinc/85/09/86/573850986.db2.gz KALJWXWEUKESGS-MRVPVSSYSA-N 0 0 167.183 1.491 10 0 ADAERN Cc1cc(F)c(O)c(C2(O)CC2)c1 258155361 573851013 /nfs/dbraw/zinc/85/10/13/573851013.db2.gz ULXUXCJKDZRVFE-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN Cc1cc2cccnc2n1C[C@H](C)O 258162046 573851023 /nfs/dbraw/zinc/85/10/23/573851023.db2.gz QPJMZBVOVUXTLN-VIFPVBQESA-N 0 0 190.246 1.726 10 0 ADAERN CC(C)[C@@H]1CC[C@](C)(NC(N)=O)C1 238153024 573851032 /nfs/dbraw/zinc/85/10/32/573851032.db2.gz MGSXFBXWACRORH-SCZZXKLOSA-N 0 0 184.283 1.870 10 0 ADAERN F[C@@H]1CCC[C@H]1Nc1cnsn1 585297858 573851056 /nfs/dbraw/zinc/85/10/56/573851056.db2.gz LEMYRDRVHPUMJU-PHDIDXHHSA-N 0 0 187.243 1.841 10 0 ADAERN CC(C)=CCOCCCO 238152974 573851067 /nfs/dbraw/zinc/85/10/67/573851067.db2.gz RYEAVUARNBDEGO-UHFFFAOYSA-N 0 0 144.214 1.352 10 0 ADAERN [NH3+]Cc1cc(C(=O)[O-])c(F)cc1F 257889340 573851093 /nfs/dbraw/zinc/85/10/93/573851093.db2.gz NDNPQCBTQJFORR-UHFFFAOYSA-N 0 0 187.145 1.122 10 0 ADAERN Cc1ccn2c(N)cnc2c1F 238539738 573851118 /nfs/dbraw/zinc/85/11/18/573851118.db2.gz QGZJGPHUWCRACU-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN CCCn1ncnc1[C@H](O)CC1CC1 308455448 573851120 /nfs/dbraw/zinc/85/11/20/573851120.db2.gz DMTXLUZFFOOHHX-SECBINFHSA-N 0 0 195.266 1.522 10 0 ADAERN COC(=O)[C@@H](C)O[C@H](C)CC(C)C 43625748 573851141 /nfs/dbraw/zinc/85/11/41/573851141.db2.gz DWHISMPGWZAHHA-RKDXNWHRSA-N 0 0 188.267 1.999 10 0 ADAERN COC(=O)[C@H](C)NCCC1CCCC1 43627177 573851150 /nfs/dbraw/zinc/85/11/50/573851150.db2.gz AGBMAZIGXLDDPG-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN COCCC(=O)C1=C(O)CC[C@H](C)C1 43651500 573851168 /nfs/dbraw/zinc/85/11/68/573851168.db2.gz IIDOMKUTBJHETO-IUCAKERBSA-N 0 0 198.262 1.597 10 0 ADAERN CCONCc1nc(C)cs1 87254803 573851174 /nfs/dbraw/zinc/85/11/74/573851174.db2.gz JMXVAQCOMKIQFE-UHFFFAOYSA-N 0 0 172.253 1.493 10 0 ADAERN Cc1nc(F)ccc1[C@@H]1CNC(=O)C1 238539829 573851175 /nfs/dbraw/zinc/85/11/75/573851175.db2.gz UJOKCEFLKNOWAQ-ZETCQYMHSA-N 0 0 194.209 1.133 10 0 ADAERN C[C@@H](OCCC(N)=O)c1ccccc1 43639374 573851196 /nfs/dbraw/zinc/85/11/96/573851196.db2.gz JRKZCOMFWHIHGC-SECBINFHSA-N 0 0 193.246 1.640 10 0 ADAERN CC(C)C[C@H]1CSCCC(=O)N1 238150753 573851199 /nfs/dbraw/zinc/85/11/99/573851199.db2.gz CHBNHHDQFMKKFE-QMMMGPOBSA-N 0 0 187.308 1.654 10 0 ADAERN CNc1nccc(NCCCCF)n1 308454840 573851203 /nfs/dbraw/zinc/85/12/03/573851203.db2.gz BHYOGXGJGVUQIO-UHFFFAOYSA-N 0 0 198.245 1.680 10 0 ADAERN CC(C)Oc1cc(F)c(N)cc1N 238150665 573851206 /nfs/dbraw/zinc/85/12/06/573851206.db2.gz GPGOGXHUTIHZNZ-UHFFFAOYSA-N 0 0 184.214 1.777 10 0 ADAERN CC(C)(C)CO/C=C/CO 238153023 573851216 /nfs/dbraw/zinc/85/12/16/573851216.db2.gz QKHRJCPMFBDILQ-GQCTYLIASA-N 0 0 144.214 1.555 10 0 ADAERN O[C@@H]1CC[C@H]1N1CCc2ccccc21 585298753 573851237 /nfs/dbraw/zinc/85/12/37/573851237.db2.gz CKDWYEVYXYJYNO-VXGBXAGGSA-N 0 0 189.258 1.572 10 0 ADAERN CC(C)C[C@H]1CSCCNC1=O 238150830 573850602 /nfs/dbraw/zinc/85/06/02/573850602.db2.gz VJNVXEBEZZKXQS-QMMMGPOBSA-N 0 0 187.308 1.512 10 0 ADAERN CCC1(O)CN(c2ccccn2)C1 84358881 573852668 /nfs/dbraw/zinc/85/26/68/573852668.db2.gz NNZLRNROQQQZDG-UHFFFAOYSA-N 0 0 178.235 1.043 10 0 ADAERN COCc1cccc(CO)c1OC 258163109 573852669 /nfs/dbraw/zinc/85/26/69/573852669.db2.gz VGAKBGYDABFKOJ-UHFFFAOYSA-N 0 0 182.219 1.334 10 0 ADAERN COc1ccc2c(c1)C[C@](C)(O)CN2 257887616 573852670 /nfs/dbraw/zinc/85/26/70/573852670.db2.gz WPJNERPBFRJINQ-NSHDSACASA-N 0 0 193.246 1.414 10 0 ADAERN COCc1ccc(F)c(CNOC)c1 258163052 573852675 /nfs/dbraw/zinc/85/26/75/573852675.db2.gz PPUMOKZTTSHSHK-UHFFFAOYSA-N 0 0 199.225 1.623 10 0 ADAERN Cc1[nH]c(=O)[nH]c1-c1ccccc1 101234319 573852691 /nfs/dbraw/zinc/85/26/91/573852691.db2.gz HVZKIBHWASAHTK-UHFFFAOYSA-N 0 0 174.203 1.678 10 0 ADAERN CCN(C[C@@H](C)O)C(=O)C=C(C)C 308455568 573852707 /nfs/dbraw/zinc/85/27/07/573852707.db2.gz FYKHFBBGAIKPBJ-SECBINFHSA-N 0 0 185.267 1.182 10 0 ADAERN Clc1ccc2c(c1)CNNC2 238531087 573852718 /nfs/dbraw/zinc/85/27/18/573852718.db2.gz CPDMSHRVVNVJOI-UHFFFAOYSA-N 0 0 168.627 1.448 10 0 ADAERN Cc1cccc2c1C[C@@H]1CC(=O)N[C@@H]21 238531073 573852728 /nfs/dbraw/zinc/85/27/28/573852728.db2.gz KWCVOBZDOPTZMV-PRHODGIISA-N 0 0 187.242 1.728 10 0 ADAERN C[C@]1(CNc2nncs2)CCCO1 87256160 573853387 /nfs/dbraw/zinc/85/33/87/573853387.db2.gz FYQFDXOZSLUJHP-MRVPVSSYSA-N 0 0 199.279 1.519 10 0 ADAERN O=C1O[C@@H]2C=CC[C@H]2/C1=C/Cl 238539681 573853392 /nfs/dbraw/zinc/85/33/92/573853392.db2.gz SHJNTUIHRPKBBM-ZKLKHFGNSA-N 0 0 170.595 1.611 10 0 ADAERN Cc1cncc(CO)c1C(F)F 238541412 573853406 /nfs/dbraw/zinc/85/34/06/573853406.db2.gz WXAVLMMWKFJTCV-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN F[C@H]1CCC[C@@H]1Nc1cnsn1 585297860 573852756 /nfs/dbraw/zinc/85/27/56/573852756.db2.gz LEMYRDRVHPUMJU-WDSKDSINSA-N 0 0 187.243 1.841 10 0 ADAERN COC(=O)[C@@H](C)N[C@@H]1C[C@H]2CC=C[C@H]21 308454777 573852760 /nfs/dbraw/zinc/85/27/60/573852760.db2.gz DLYGHPWVCMPSRO-ZYUZMQFOSA-N 0 0 195.262 1.102 10 0 ADAERN OCC(F)(F)c1ccc2[nH]cnc2c1 258972778 573852763 /nfs/dbraw/zinc/85/27/63/573852763.db2.gz IKZMFIPDXCNBMI-UHFFFAOYSA-N 0 0 198.172 1.647 10 0 ADAERN Cc1c(O)ccc2c(N)cc(=O)oc12 238540030 573852764 /nfs/dbraw/zinc/85/27/64/573852764.db2.gz BZVLFNMFGSPAKE-UHFFFAOYSA-N 0 0 191.186 1.378 10 0 ADAERN CC(C)CCCOCCC(N)=O 43639440 573852766 /nfs/dbraw/zinc/85/27/66/573852766.db2.gz YNVBRJDPLIGOQP-UHFFFAOYSA-N 0 0 173.256 1.315 10 0 ADAERN CCC1(O)CN(Cc2ccncc2)C1 84359356 573852774 /nfs/dbraw/zinc/85/27/74/573852774.db2.gz YUVNSPREGKHBTL-UHFFFAOYSA-N 0 0 192.262 1.038 10 0 ADAERN O=C1OCCc2cc(F)c(F)cc21 238541626 573852788 /nfs/dbraw/zinc/85/27/88/573852788.db2.gz ZYNZFSOSMQTSJE-UHFFFAOYSA-N 0 0 184.141 1.678 10 0 ADAERN CN(c1ccc(O)cc1)[C@@H]1CC[C@H]1O 585298904 573852826 /nfs/dbraw/zinc/85/28/26/573852826.db2.gz QVVJFXOTHOGBFS-GHMZBOCLSA-N 0 0 193.246 1.352 10 0 ADAERN Cc1cc(C)n([C@@H]2CC[C@@H]2O)n1 585298928 573852834 /nfs/dbraw/zinc/85/28/34/573852834.db2.gz TVJZNJBZJCYRAA-BDAKNGLRSA-N 0 0 166.224 1.196 10 0 ADAERN O[C@H]1CC[C@H]1N1CCc2ccccc21 585298750 573852842 /nfs/dbraw/zinc/85/28/42/573852842.db2.gz CKDWYEVYXYJYNO-NEPJUHHUSA-N 0 0 189.258 1.572 10 0 ADAERN CC(=O)[C@@H]1CC[C@H]1C(C)=O 238166907 573852843 /nfs/dbraw/zinc/85/28/43/573852843.db2.gz LCWPMKJHJOWKTN-YUMQZZPRSA-N 0 0 140.182 1.191 10 0 ADAERN CC(=O)c1cnc2sc(CO)cn12 238154007 573852850 /nfs/dbraw/zinc/85/28/50/573852850.db2.gz INOVTANPJXJXFV-UHFFFAOYSA-N 0 0 196.231 1.091 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1cccc(F)c1F 585298983 573852851 /nfs/dbraw/zinc/85/28/51/573852851.db2.gz XZGDXBXXZDJZKG-IONNQARKSA-N 0 0 199.200 1.900 10 0 ADAERN CONCc1c(F)cccc1N(C)C 258163006 573852872 /nfs/dbraw/zinc/85/28/72/573852872.db2.gz POVHKISIVLIDOI-UHFFFAOYSA-N 0 0 198.241 1.543 10 0 ADAERN Cc1cncc(C(F)F)c1C(N)=O 238539920 573852881 /nfs/dbraw/zinc/85/28/81/573852881.db2.gz WEMLADOCUMUSGJ-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN COc1cc(C)cc(C)c1NCNN 259211892 573852901 /nfs/dbraw/zinc/85/29/01/573852901.db2.gz XGLDLLCUJXDMME-UHFFFAOYSA-N 0 0 195.266 1.145 10 0 ADAERN COc1ccccc1N[C@@H]1CC[C@@H]1O 585298853 573852909 /nfs/dbraw/zinc/85/29/09/573852909.db2.gz NGMNVFNQMICZJN-SCZZXKLOSA-N 0 0 193.246 1.630 10 0 ADAERN Cc1nc2c(nc1C)NCCC2 238539504 573852911 /nfs/dbraw/zinc/85/29/11/573852911.db2.gz XDUQPNBMCJKOGZ-UHFFFAOYSA-N 0 0 163.224 1.452 10 0 ADAERN F[C@@H]1CCC[C@@H]1Nc1cnsn1 585297859 573852915 /nfs/dbraw/zinc/85/29/15/573852915.db2.gz LEMYRDRVHPUMJU-RITPCOANSA-N 0 0 187.243 1.841 10 0 ADAERN C[C@@H]1CCC[C@H](OCCC(N)=O)C1 43639450 573852922 /nfs/dbraw/zinc/85/29/22/573852922.db2.gz VKVIJWNJTKDBRU-BDAKNGLRSA-N 0 0 185.267 1.457 10 0 ADAERN CON(C)C(=O)/C=C\C1=CCCC1 308454583 573852923 /nfs/dbraw/zinc/85/29/23/573852923.db2.gz FSYCKVVQZMTHFT-FPLPWBNLSA-N 0 0 181.235 1.673 10 0 ADAERN OCc1cnc([C@H]2CCSC2)o1 258154886 573852928 /nfs/dbraw/zinc/85/29/28/573852928.db2.gz QSNCSHFKPVWXQU-LURJTMIESA-N 0 0 185.248 1.387 10 0 ADAERN CC(C)(C)[C@H]([NH3+])[C@H]1C[C@H]1C(=O)[O-] 259213033 573852929 /nfs/dbraw/zinc/85/29/29/573852929.db2.gz GMRLRVLPAOKAPI-RRKCRQDMSA-N 0 0 171.240 1.081 10 0 ADAERN CC(C)c1ccccc(=O)c1N 238166260 573852930 /nfs/dbraw/zinc/85/29/30/573852930.db2.gz IAZAEVXSDRCIGN-UHFFFAOYSA-N 0 0 163.220 1.752 10 0 ADAERN CC(C)C[C@H]1[NH2+]CCCC[C@H]1C(=O)[O-] 238154471 573852946 /nfs/dbraw/zinc/85/29/46/573852946.db2.gz PYXMGEFPEIPUGQ-NXEZZACHSA-N 0 0 199.294 1.875 10 0 ADAERN O[C@]1(Cc2ccccn2)CCSC1 84358328 573852952 /nfs/dbraw/zinc/85/29/52/573852952.db2.gz IWDXXKHSRLASNP-JTQLQIEISA-N 0 0 195.287 1.492 10 0 ADAERN CC(C)c1nccn1[C@H]1CC[C@H]1O 585298881 573852956 /nfs/dbraw/zinc/85/29/56/573852956.db2.gz POQXSQGWLTXJEV-DTWKUNHWSA-N 0 0 180.251 1.702 10 0 ADAERN CC(C)(C)[C@@H]1CCO[C@H]1O 238154372 573852960 /nfs/dbraw/zinc/85/29/60/573852960.db2.gz OOLMDJYCJPSXPC-RNFRBKRXSA-N 0 0 144.214 1.387 10 0 ADAERN CCC(CC)OCn1ccnc1C=O 308454003 573852971 /nfs/dbraw/zinc/85/29/71/573852971.db2.gz COXVCHDEPGQTHR-UHFFFAOYSA-N 0 0 196.250 1.858 10 0 ADAERN O[C@H]1CC[C@H]1Nc1cccc(F)c1F 585298981 573852979 /nfs/dbraw/zinc/85/29/79/573852979.db2.gz XZGDXBXXZDJZKG-APPZFPTMSA-N 0 0 199.200 1.900 10 0 ADAERN CC(C)([NH3+])c1ccc(N)cc1C(=O)[O-] 238153874 573852985 /nfs/dbraw/zinc/85/29/85/573852985.db2.gz QQGUNFUJPNKUDS-UHFFFAOYSA-N 0 0 194.234 1.161 10 0 ADAERN CC(C)C[C@@H]1NC2(CCCC2)OC1=O 238165870 573852997 /nfs/dbraw/zinc/85/29/97/573852997.db2.gz WQFNCSSDRZABQJ-VIFPVBQESA-N 0 0 197.278 1.818 10 0 ADAERN C[C@](O)(/C=C/CO)c1ccccc1 224724468 573853005 /nfs/dbraw/zinc/85/30/05/573853005.db2.gz XZXYETXARRYLAS-BWNDKRECSA-N 0 0 178.231 1.443 10 0 ADAERN CC(C)[C@@H](C)[C@H](O)/C=C/CO 101236349 573853030 /nfs/dbraw/zinc/85/30/30/573853030.db2.gz JIBUNHUPNHOGAN-HOMPQPGZSA-N 0 0 158.241 1.188 10 0 ADAERN CC(C)(C)[C@@H]1CCC[C@@H](O)C1=O 238153674 573853043 /nfs/dbraw/zinc/85/30/43/573853043.db2.gz LMZVXSSZRZKPQY-HTQZYQBOSA-N 0 0 170.252 1.763 10 0 ADAERN CC1=C(N=O)SC(=O)C1C(N)=O 238530817 573853045 /nfs/dbraw/zinc/85/30/45/573853045.db2.gz MUPPCHPNHXQCES-UHFFFAOYSA-N 0 0 186.192 1.259 10 0 ADAERN CC(=O)[C@@H]1C[C@H](C(C)C)C(=O)O1 238166162 573853058 /nfs/dbraw/zinc/85/30/58/573853058.db2.gz KNZZIMLLXZKXNH-SFYZADRCSA-N 0 0 170.208 1.163 10 0 ADAERN CC(=O)[C@@H]1CC[C@H](F)C1 238166789 573853081 /nfs/dbraw/zinc/85/30/81/573853081.db2.gz PSZKPKIZLJNKOP-RQJHMYQMSA-N 0 0 130.162 1.714 10 0 ADAERN CCCC[C@@H](CC)COCC(N)=O 43639434 573853082 /nfs/dbraw/zinc/85/30/82/573853082.db2.gz WUDGDMILVQBIHH-SECBINFHSA-N 0 0 187.283 1.705 10 0 ADAERN CN1C(=O)NCC2(CCCCC2)C1=O 125257590 573853086 /nfs/dbraw/zinc/85/30/86/573853086.db2.gz JYSADAGEZYKFMY-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN C[C@@]1(CNc2ccncn2)CCCO1 87256230 573853092 /nfs/dbraw/zinc/85/30/92/573853092.db2.gz XBTLKEXENICDLF-JTQLQIEISA-N 0 0 193.250 1.458 10 0 ADAERN CC[C@H](CO)C1CC1 79522720 573853098 /nfs/dbraw/zinc/85/30/98/573853098.db2.gz RXMLHIMZRXYYFO-ZCFIWIBFSA-N 0 0 114.188 1.415 10 0 ADAERN COCCC(=O)C1=C(O)CC[C@H](C)C1 43651496 573853114 /nfs/dbraw/zinc/85/31/14/573853114.db2.gz IIDOMKUTBJHETO-DTWKUNHWSA-N 0 0 198.262 1.597 10 0 ADAERN CC[C@@H](CO)C1CC1 79522716 573853129 /nfs/dbraw/zinc/85/31/29/573853129.db2.gz RXMLHIMZRXYYFO-LURJTMIESA-N 0 0 114.188 1.415 10 0 ADAERN CCC(=O)C[N@@H+]1CCC(C)(C)C1 87256842 573853138 /nfs/dbraw/zinc/85/31/38/573853138.db2.gz OGSPDWNPQADAGY-UHFFFAOYSA-N 0 0 169.268 1.697 10 0 ADAERN C[C@H](O)c1cc(O)cc2c1OCCO2 258163154 573853151 /nfs/dbraw/zinc/85/31/51/573853151.db2.gz VHRKNZDZCBCOCX-LURJTMIESA-N 0 0 196.202 1.217 10 0 ADAERN CCC1(O)CN(c2cc(C)ccn2)C1 84359023 573853156 /nfs/dbraw/zinc/85/31/56/573853156.db2.gz TZEXRXRKNSAMCS-UHFFFAOYSA-N 0 0 192.262 1.351 10 0 ADAERN CCCC[S@@](=O)[C@H](C)C(=O)OC 43637467 573853178 /nfs/dbraw/zinc/85/31/78/573853178.db2.gz VRXADLVBJHPTBU-KRTXAFLBSA-N 0 0 192.280 1.097 10 0 ADAERN CC(C)CC1=C(C(=O)[O-])CC[N@H+](C)C1 257888777 573853202 /nfs/dbraw/zinc/85/32/02/573853202.db2.gz WTLJWWUYEISEGF-UHFFFAOYSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1cnc2c(c1)NC[C@@H](C)N2 87260534 573853220 /nfs/dbraw/zinc/85/32/20/573853220.db2.gz MSDJZHNWAROBRU-SSDOTTSWSA-N 0 0 163.224 1.616 10 0 ADAERN NC(=O)[C@@H]1CCC(c2ccccc2)=N1 238541563 573853235 /nfs/dbraw/zinc/85/32/35/573853235.db2.gz NNTTWNJDSJEVNU-JTQLQIEISA-N 0 0 188.230 1.123 10 0 ADAERN Cc1nc2c(s1)CC(=O)C2 238539062 573853253 /nfs/dbraw/zinc/85/32/53/573853253.db2.gz KWWRENFTNRRPDE-UHFFFAOYSA-N 0 0 153.206 1.119 10 0 ADAERN CC(=O)[C@@H]1CC[C@@]1(C)C(C)=O 238166436 573853264 /nfs/dbraw/zinc/85/32/64/573853264.db2.gz HTYSPNQBXXSLHM-IUCAKERBSA-N 0 0 154.209 1.581 10 0 ADAERN CON(C)C(=O)/C=C/C1=CCCC1 308454581 573853267 /nfs/dbraw/zinc/85/32/67/573853267.db2.gz FSYCKVVQZMTHFT-BQYQJAHWSA-N 0 0 181.235 1.673 10 0 ADAERN CC1(C)CCN(C(=O)CCCO)C1 87259666 573853281 /nfs/dbraw/zinc/85/32/81/573853281.db2.gz QXPSLLAFWDZTMZ-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN CN1CCC(=O)Nc2ccc(O)cc21 258437094 573853284 /nfs/dbraw/zinc/85/32/84/573853284.db2.gz GEXQBJXHLDIZJU-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN COC(=O)CN(CC(C)(C)C)OC 308455432 573853298 /nfs/dbraw/zinc/85/32/98/573853298.db2.gz FWQSSOZNYQXKIL-UHFFFAOYSA-N 0 0 189.255 1.069 10 0 ADAERN C[C@@]1(Cn2cncc2C=O)CCCO1 87260249 573853300 /nfs/dbraw/zinc/85/33/00/573853300.db2.gz PSWYLVBHHSEEFG-JTQLQIEISA-N 0 0 194.234 1.265 10 0 ADAERN CC(=N)C1=NCC(C)(C)CC1=O 238165967 573853319 /nfs/dbraw/zinc/85/33/19/573853319.db2.gz PVDWDWPEWFHWJA-UHFFFAOYSA-N 0 0 166.224 1.466 10 0 ADAERN Oc1ccccc1N[C@@H]1CC[C@H]1O 585298908 573853334 /nfs/dbraw/zinc/85/33/34/573853334.db2.gz RHYLOLTZUBYJKJ-PSASIEDQSA-N 0 0 179.219 1.327 10 0 ADAERN Cc1nc2c(cc1C(N)=O)CCCC2 238539325 573852665 /nfs/dbraw/zinc/85/26/65/573852665.db2.gz VOLQXUXWIXLKRV-UHFFFAOYSA-N 0 0 190.246 1.368 10 0 ADAERN CC(C)C[C@]12CCC(=O)[C@H]1O2 238166633 573855187 /nfs/dbraw/zinc/85/51/87/573855187.db2.gz DPCGISVWFVQDCK-RKDXNWHRSA-N 0 0 154.209 1.533 10 0 ADAERN O[C@@]1(Cc2cccnc2)CCSC1 84358316 573855203 /nfs/dbraw/zinc/85/52/03/573855203.db2.gz NIEKDVTUINVEJP-SNVBAGLBSA-N 0 0 195.287 1.492 10 0 ADAERN C[C@@H]1CNc2cccc(O)c2O1 259212368 573855205 /nfs/dbraw/zinc/85/52/05/573855205.db2.gz LINKIFFZPDQBPG-ZCFIWIBFSA-N 0 0 165.192 1.585 10 0 ADAERN C/C(=C\[C@H]1CCSC1)CO 224724529 573855207 /nfs/dbraw/zinc/85/52/07/573855207.db2.gz YQXBNJTXYVGDFV-RXLGXGPVSA-N 0 0 158.266 1.678 10 0 ADAERN Cc1cc(C)c(NC=O)cc1NC=O 238543033 573855213 /nfs/dbraw/zinc/85/52/13/573855213.db2.gz JQPCETUZCBMTFN-UHFFFAOYSA-N 0 0 192.218 1.440 10 0 ADAERN C[C@@H](C[N@@H+]1CCC(C)(C)C1)C(=O)[O-] 87256626 573854536 /nfs/dbraw/zinc/85/45/36/573854536.db2.gz TXFQHPKVUHWFNH-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN Cc1cc([C@@H]([NH3+])C(=O)[O-])cc(O)c1C 258155402 573854545 /nfs/dbraw/zinc/85/45/45/573854545.db2.gz UMZQVOVLKBXBGH-SECBINFHSA-N 0 0 195.218 1.093 10 0 ADAERN C[C@H](CC(=O)[O-])[N@@H+]1CCC(C)(C)C1 87256619 573854579 /nfs/dbraw/zinc/85/45/79/573854579.db2.gz AAKXOTZNMJQVFK-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CCC(O)(CC)CNc1nnco1 308454440 573854583 /nfs/dbraw/zinc/85/45/83/573854583.db2.gz FNURNNURRCRKGT-UHFFFAOYSA-N 0 0 185.227 1.033 10 0 ADAERN CC(=O)[C@@H]1CC[C@@](C)(C(C)=O)C1 238166350 573854603 /nfs/dbraw/zinc/85/46/03/573854603.db2.gz YKDQNBWHVGFTBQ-NXEZZACHSA-N 0 0 168.236 1.971 10 0 ADAERN COc1cccc(N[C@H]2CC[C@H]2O)c1 585298795 573854607 /nfs/dbraw/zinc/85/46/07/573854607.db2.gz JTKMTFWZAVBPTA-WDEREUQCSA-N 0 0 193.246 1.630 10 0 ADAERN CC(C)=C[C@H]1C(=O)CCC[C@H]1O 238166608 573854616 /nfs/dbraw/zinc/85/46/16/573854616.db2.gz RXRIGKSMKLEONL-RKDXNWHRSA-N 0 0 168.236 1.683 10 0 ADAERN COC[C@@H]1CCOc2c(N)cccc21 257888655 573854632 /nfs/dbraw/zinc/85/46/32/573854632.db2.gz WRWRQGUOKBYONJ-QMMMGPOBSA-N 0 0 193.246 1.781 10 0 ADAERN O[C@@H]1CC[C@H]1n1cnc2ccccc21 585298972 573854662 /nfs/dbraw/zinc/85/46/62/573854662.db2.gz XNACMLRSCVTZFB-GHMZBOCLSA-N 0 0 188.230 1.732 10 0 ADAERN COCc1cccc([C@@H](C)O)c1OC 258163115 573854664 /nfs/dbraw/zinc/85/46/64/573854664.db2.gz VGFULKVJMWUAAX-MRVPVSSYSA-N 0 0 196.246 1.895 10 0 ADAERN CCN(C)c1ccc2[nH]c(=O)[nH]c2c1 259211806 573855249 /nfs/dbraw/zinc/85/52/49/573855249.db2.gz XEQZJXKBTDQINW-UHFFFAOYSA-N 0 0 191.234 1.312 10 0 ADAERN Cc1cc2[nH]cc3c(=O)cccc-3n2n1 238526774 573854673 /nfs/dbraw/zinc/85/46/73/573854673.db2.gz WXHHAUSRQDRGQK-UHFFFAOYSA-N 0 0 199.213 1.897 10 0 ADAERN COc1c(C(=O)CN)ccc(C)c1F 258155365 573854675 /nfs/dbraw/zinc/85/46/75/573854675.db2.gz UMCGBYAGQSBCTR-UHFFFAOYSA-N 0 0 197.209 1.284 10 0 ADAERN O[C@@]1(Cc2ccccn2)CCSC1 84358325 573854683 /nfs/dbraw/zinc/85/46/83/573854683.db2.gz IWDXXKHSRLASNP-SNVBAGLBSA-N 0 0 195.287 1.492 10 0 ADAERN CC(=O)c1nccc(-c2ccncc2)n1 258969203 573854692 /nfs/dbraw/zinc/85/46/92/573854692.db2.gz AEOUVKOOUUIOGX-UHFFFAOYSA-N 0 0 199.213 1.741 10 0 ADAERN Cc1cc(C)n([C@H]2CC[C@H]2O)n1 585298929 573854701 /nfs/dbraw/zinc/85/47/01/573854701.db2.gz TVJZNJBZJCYRAA-DTWKUNHWSA-N 0 0 166.224 1.196 10 0 ADAERN O=Cc1ccnc2ccoc12 258437079 573854705 /nfs/dbraw/zinc/85/47/05/573854705.db2.gz DQYFYLDBIOIIBK-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN CC1(C)N[C@@H](c2ccccc2)C(=O)O1 238172697 573854706 /nfs/dbraw/zinc/85/47/06/573854706.db2.gz LKFASSWSBIJXHC-VIFPVBQESA-N 0 0 191.230 1.610 10 0 ADAERN CC[C@H](C)[S@@](=O)[C@@H](C)C(=O)OC 43637400 573854723 /nfs/dbraw/zinc/85/47/23/573854723.db2.gz MVXXIHWYOICBSQ-WSFZALMZSA-N 0 0 192.280 1.095 10 0 ADAERN Cc1cc(F)c2nc(N)[nH]c2c1 238542640 573854727 /nfs/dbraw/zinc/85/47/27/573854727.db2.gz INUAEOJWJVAPLL-UHFFFAOYSA-N 0 0 165.171 1.593 10 0 ADAERN CC(C)[C@@H]1C[C@H](C(C)C)NC1=O 238166195 573854729 /nfs/dbraw/zinc/85/47/29/573854729.db2.gz GRKPDKLDAJHDRO-DTWKUNHWSA-N 0 0 169.268 1.803 10 0 ADAERN Fc1ccc2c(c1F)NCCN2 87260561 573854732 /nfs/dbraw/zinc/85/47/32/573854732.db2.gz VTTNBPFGMYQLOU-UHFFFAOYSA-N 0 0 170.162 1.802 10 0 ADAERN CC(C)([NH3+])c1ccc(N)c(C(=O)[O-])c1 238153618 573854739 /nfs/dbraw/zinc/85/47/39/573854739.db2.gz NTJWZMWHFZYFBD-UHFFFAOYSA-N 0 0 194.234 1.161 10 0 ADAERN C[C@@]1(CNc2ncns2)CCCO1 87256219 573854740 /nfs/dbraw/zinc/85/47/40/573854740.db2.gz JFDWPZDWHMTYLU-QMMMGPOBSA-N 0 0 199.279 1.519 10 0 ADAERN CC[C@@H]1CCCC[C@H]1OCCC(N)=O 43639361 573854751 /nfs/dbraw/zinc/85/47/51/573854751.db2.gz ANIZMYAXIKEXKG-NXEZZACHSA-N 0 0 199.294 1.847 10 0 ADAERN CCCC[C@H](CC)COCC(N)=O 43639435 573854759 /nfs/dbraw/zinc/85/47/59/573854759.db2.gz WUDGDMILVQBIHH-VIFPVBQESA-N 0 0 187.283 1.705 10 0 ADAERN CC(C)NC(=O)[C@@H]1CCCCC1=O 238153571 573854762 /nfs/dbraw/zinc/85/47/62/573854762.db2.gz RITUUGQGKNRKKG-MRVPVSSYSA-N 0 0 183.251 1.270 10 0 ADAERN CC(=O)[C@@H]1CC[C@](C)(C(C)=O)C1 238167076 573854782 /nfs/dbraw/zinc/85/47/82/573854782.db2.gz YKDQNBWHVGFTBQ-ZJUUUORDSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)[N@H+]1CC=C([C@H](C)C(=O)[O-])CC1 258162036 573854795 /nfs/dbraw/zinc/85/47/95/573854795.db2.gz RPMRMRHFHOXBDV-VIFPVBQESA-N 0 0 197.278 1.748 10 0 ADAERN CCn1nc(C)c2c1NCCCN2 87260485 573854828 /nfs/dbraw/zinc/85/48/28/573854828.db2.gz HJQMWAOHSDFNJU-UHFFFAOYSA-N 0 0 180.255 1.439 10 0 ADAERN ClNCc1cccnc1 238541835 573854832 /nfs/dbraw/zinc/85/48/32/573854832.db2.gz NYHHNLVFZMTLCH-UHFFFAOYSA-N 0 0 142.589 1.325 10 0 ADAERN CC(C)(C)[C@@H]1CCO[C@@H]1O 238154343 573854833 /nfs/dbraw/zinc/85/48/33/573854833.db2.gz OOLMDJYCJPSXPC-RQJHMYQMSA-N 0 0 144.214 1.387 10 0 ADAERN CC(C)[C@@H]1[N-]C(=S)SC1=[NH2+] 238167155 573854839 /nfs/dbraw/zinc/85/48/39/573854839.db2.gz DPJYTOOSVSEFHD-BYPYZUCNSA-N 0 0 174.294 1.610 10 0 ADAERN CCC1(O)CN(c2ncccc2F)C1 84358883 573854845 /nfs/dbraw/zinc/85/48/45/573854845.db2.gz UZUADJRWDLYXMF-UHFFFAOYSA-N 0 0 196.225 1.182 10 0 ADAERN C[C@@]1(CNc2nncs2)CCCO1 87256162 573854861 /nfs/dbraw/zinc/85/48/61/573854861.db2.gz FYQFDXOZSLUJHP-QMMMGPOBSA-N 0 0 199.279 1.519 10 0 ADAERN CC[C@H](C(=O)OC)N(C)C1CC1 259211979 573854884 /nfs/dbraw/zinc/85/48/84/573854884.db2.gz ZSQUYCLYYBOADW-MRVPVSSYSA-N 0 0 171.240 1.032 10 0 ADAERN COc1cccc(N[C@@H]2CC[C@@H]2O)c1 585298793 573854906 /nfs/dbraw/zinc/85/49/06/573854906.db2.gz JTKMTFWZAVBPTA-MNOVXSKESA-N 0 0 193.246 1.630 10 0 ADAERN Cc1cc(F)c2ncc(N)n2c1 238542761 573854909 /nfs/dbraw/zinc/85/49/09/573854909.db2.gz WFFBDJKKTXGRMO-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN Cc1ccc(CN[C@@H]2COC[C@H]2F)o1 585297929 573854915 /nfs/dbraw/zinc/85/49/15/573854915.db2.gz MMVMWMILTNWDKB-NXEZZACHSA-N 0 0 199.225 1.415 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CCC(C)(C)C1 87256567 573854919 /nfs/dbraw/zinc/85/49/19/573854919.db2.gz LKVLDGQTXWGLKB-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1ccnc(N(C)[C@H]2CC[C@@H]2O)c1 585298008 573854939 /nfs/dbraw/zinc/85/49/39/573854939.db2.gz NRYMBXAJIACHBJ-UWVGGRQHSA-N 0 0 192.262 1.350 10 0 ADAERN CCC(C)(C)O[C@H](C)C(=O)OC 43625831 573854941 /nfs/dbraw/zinc/85/49/41/573854941.db2.gz VBIPOYBPNUBHFJ-SSDOTTSWSA-N 0 0 174.240 1.753 10 0 ADAERN C[C@]1(CNc2ccncn2)CCCO1 87256228 573854988 /nfs/dbraw/zinc/85/49/88/573854988.db2.gz XBTLKEXENICDLF-SNVBAGLBSA-N 0 0 193.250 1.458 10 0 ADAERN NC(=O)[C@@H]1CC[C@@H]2CCC[C@@H]2C1 238542505 573854989 /nfs/dbraw/zinc/85/49/89/573854989.db2.gz JNLYOTOPFRNWTQ-DJLDLDEBSA-N 0 0 167.252 1.688 10 0 ADAERN Oc1cccc(N[C@H]2CC[C@@H]2O)c1 585298776 573855003 /nfs/dbraw/zinc/85/50/03/573855003.db2.gz GSBBBSXOBQKKED-UWVGGRQHSA-N 0 0 179.219 1.327 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1OCCC(N)=O 43639359 573855007 /nfs/dbraw/zinc/85/50/07/573855007.db2.gz ANIZMYAXIKEXKG-ZJUUUORDSA-N 0 0 199.294 1.847 10 0 ADAERN OCc1cnoc1C1CCSCC1 259212507 573855049 /nfs/dbraw/zinc/85/50/49/573855049.db2.gz LJQYVRGAPNZCAY-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN Cc1c(C)c(O)c(C=O)c(O)c1C 238542766 573855059 /nfs/dbraw/zinc/85/50/59/573855059.db2.gz SNTKYUDOQGYROV-UHFFFAOYSA-N 0 0 180.203 1.836 10 0 ADAERN C/C=C\[C@H](O)[C@](C)(O)c1ccccn1 308454363 573855062 /nfs/dbraw/zinc/85/50/62/573855062.db2.gz UZMFQMVBEQVJFX-QUQTYHIESA-N 0 0 193.246 1.226 10 0 ADAERN C[C@H]1CC=CC[C@@H]1COCC(N)=O 43639318 573855066 /nfs/dbraw/zinc/85/50/66/573855066.db2.gz VADYGUDNZBVCKK-DTWKUNHWSA-N 0 0 183.251 1.091 10 0 ADAERN C[C@@H]1CC=CC[C@@H]1COCC(N)=O 43639317 573855076 /nfs/dbraw/zinc/85/50/76/573855076.db2.gz VADYGUDNZBVCKK-RKDXNWHRSA-N 0 0 183.251 1.091 10 0 ADAERN CN(c1cccs1)C(C)(C)CO 258969729 573855101 /nfs/dbraw/zinc/85/51/01/573855101.db2.gz YSNIIBRQYUDCOB-UHFFFAOYSA-N 0 0 185.292 1.955 10 0 ADAERN Cc1cc(F)c2ccnn2c1 238542227 573855105 /nfs/dbraw/zinc/85/51/05/573855105.db2.gz CKLBIUBELFPQFK-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN Cc1nc(NC(C)C)n2nccc2n1 238165837 573855107 /nfs/dbraw/zinc/85/51/07/573855107.db2.gz QAEOSSDPTYDTQA-UHFFFAOYSA-N 0 0 191.238 1.253 10 0 ADAERN Cn1nc(Cc2cccs2)cc1N 258437077 573855110 /nfs/dbraw/zinc/85/51/10/573855110.db2.gz GDWGCZRLRUEVOY-UHFFFAOYSA-N 0 0 193.275 1.655 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ncc(Cl)cn1 585298644 573855112 /nfs/dbraw/zinc/85/51/12/573855112.db2.gz YMGCSABDVLHQTO-BQBZGAKWSA-N 0 0 199.641 1.065 10 0 ADAERN C1CC[C@H](C2=NC[C@H](C3CC3)O2)[NH2+]C1 258155757 573856285 /nfs/dbraw/zinc/85/62/85/573856285.db2.gz LLTWENNCYQFBST-NXEZZACHSA-N 0 0 194.278 1.336 10 0 ADAERN CC(C)=C[C@@H]1[C@H](NC(N)=O)C1(C)C 238166581 573856290 /nfs/dbraw/zinc/85/62/90/573856290.db2.gz YBBQRQUBSHSETP-SFYZADRCSA-N 0 0 182.267 1.646 10 0 ADAERN Cc1ccc(N[C@H]2CC[C@@H]2O)cc1O 585298991 573856315 /nfs/dbraw/zinc/85/63/15/573856315.db2.gz YINMUAYFNFVTSY-UWVGGRQHSA-N 0 0 193.246 1.636 10 0 ADAERN CC(C)(C)[C@@H]1CCC[C@H](O)C1=O 238153987 573856318 /nfs/dbraw/zinc/85/63/18/573856318.db2.gz LMZVXSSZRZKPQY-SFYZADRCSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H]1Cc2ccc(O)cc2OC1=O 153801938 573856319 /nfs/dbraw/zinc/85/63/19/573856319.db2.gz PIOJZOLSPWPUKP-ZCFIWIBFSA-N 0 0 178.187 1.490 10 0 ADAERN Oc1ccc2c(c1C1(O)CC1)CCC2 258155507 573856321 /nfs/dbraw/zinc/85/63/21/573856321.db2.gz UPPNOSMFWFTBOI-UHFFFAOYSA-N 0 0 190.242 1.862 10 0 ADAERN CC1(C)CCN(c2nc(N)ns2)C1 87260274 573856324 /nfs/dbraw/zinc/85/63/24/573856324.db2.gz LLEGHJALJGYIPE-UHFFFAOYSA-N 0 0 198.295 1.357 10 0 ADAERN c1cc(-c2ccc3nccn3n2)ccn1 258973434 573856337 /nfs/dbraw/zinc/85/63/37/573856337.db2.gz DJBGFVJHEMERON-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN NC(=O)[C@@H]1CCC[C@@H]2CCC[C@@H]21 238542241 573856341 /nfs/dbraw/zinc/85/63/41/573856341.db2.gz CXSDGHCNSZVOQF-XHNCKOQMSA-N 0 0 167.252 1.688 10 0 ADAERN CC(C)(O)c1cccc2c1CCOC2 258157952 573856350 /nfs/dbraw/zinc/85/63/50/573856350.db2.gz USVYZQDADSOZOT-UHFFFAOYSA-N 0 0 192.258 1.987 10 0 ADAERN Cc1nc(N[C@@H]2CC[C@@H]2O)sc1C 585298040 573856355 /nfs/dbraw/zinc/85/63/55/573856355.db2.gz OKHDNDCIWITIMD-SFYZADRCSA-N 0 0 198.291 1.695 10 0 ADAERN CN(C(=O)C1CCCC1)[C@@H]1CC[C@H]1O 585298519 573856379 /nfs/dbraw/zinc/85/63/79/573856379.db2.gz WMAXTNGIHHNETB-NXEZZACHSA-N 0 0 197.278 1.158 10 0 ADAERN CC(=O)[C@@H]1CC[C@@]2(CO)CCC[C@@H]12 238166579 573856392 /nfs/dbraw/zinc/85/63/92/573856392.db2.gz UPGDMHXIWXFBPD-GARJFASQSA-N 0 0 182.263 1.764 10 0 ADAERN CCN1C[C@H]([C@H](C)O)c2ccccc21 257889932 573856402 /nfs/dbraw/zinc/85/64/02/573856402.db2.gz KZDHGZVPNUZAMV-GXSJLCMTSA-N 0 0 191.274 1.991 10 0 ADAERN CN1CC2=CC=CC=C[C@@H]2C1=O 197073050 573856408 /nfs/dbraw/zinc/85/64/08/573856408.db2.gz FRNHEUDLLMTGLL-VIFPVBQESA-N 0 0 161.204 1.127 10 0 ADAERN C[C@@H](CC(N)=O)OCc1ccccc1 101224926 573856415 /nfs/dbraw/zinc/85/64/15/573856415.db2.gz DBDRITVINRHBEW-VIFPVBQESA-N 0 0 193.246 1.467 10 0 ADAERN CCC1(O)CN(CC=C(C)C)C1 84360088 573856425 /nfs/dbraw/zinc/85/64/25/573856425.db2.gz SAFDNQJPQILCQS-UHFFFAOYSA-N 0 0 169.268 1.409 10 0 ADAERN CN(c1ccc(O)cc1)[C@@H]1CC[C@@H]1O 585298905 573856433 /nfs/dbraw/zinc/85/64/33/573856433.db2.gz QVVJFXOTHOGBFS-MNOVXSKESA-N 0 0 193.246 1.352 10 0 ADAERN CC1(C)CC[N@H+](CC(=O)C2CC2)C1 87256841 573856441 /nfs/dbraw/zinc/85/64/41/573856441.db2.gz DGCPQSZDYNDCJF-UHFFFAOYSA-N 0 0 181.279 1.697 10 0 ADAERN O=C(c1cncs1)C1CCOCC1 84361178 573856445 /nfs/dbraw/zinc/85/64/45/573856445.db2.gz CJXKZRRCSOHWTF-UHFFFAOYSA-N 0 0 197.259 1.752 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccc(F)cc1F 585298747 573856450 /nfs/dbraw/zinc/85/64/50/573856450.db2.gz CIIMCZVPTSKTPQ-UWVGGRQHSA-N 0 0 199.200 1.900 10 0 ADAERN Cc1cc(C)c(N)c(O)c1N 238541830 573856454 /nfs/dbraw/zinc/85/64/54/573856454.db2.gz YCZNEGLJHMTVCL-UHFFFAOYSA-N 0 0 152.197 1.173 10 0 ADAERN CCC1(O)CN(C[C@@H]2CCCCO2)C1 84360355 573856458 /nfs/dbraw/zinc/85/64/58/573856458.db2.gz JGPODKSGAHIBJO-JTQLQIEISA-N 0 0 199.294 1.012 10 0 ADAERN COC[C@H](CO)C1CCC1 258157102 573856462 /nfs/dbraw/zinc/85/64/62/573856462.db2.gz HNQVDTUAPZZMMA-QMMMGPOBSA-N 0 0 144.214 1.041 10 0 ADAERN CCCc1nn(C)c2c1NCCN2 87260558 573856466 /nfs/dbraw/zinc/85/64/66/573856466.db2.gz WMWQDHPDQQDLQL-UHFFFAOYSA-N 0 0 180.255 1.210 10 0 ADAERN COc1cc2c(cc1F)NCCN2C 87260584 573856472 /nfs/dbraw/zinc/85/64/72/573856472.db2.gz XBOCZUVOAQAQTG-UHFFFAOYSA-N 0 0 196.225 1.696 10 0 ADAERN CCCC1(O)CN(c2ccccn2)C1 84362824 573856483 /nfs/dbraw/zinc/85/64/83/573856483.db2.gz YIBLLHMREWHIQQ-UHFFFAOYSA-N 0 0 192.262 1.433 10 0 ADAERN CC(C)=C[C@H]1C(=O)CCC[C@@H]1O 238166076 573856510 /nfs/dbraw/zinc/85/65/10/573856510.db2.gz RXRIGKSMKLEONL-BDAKNGLRSA-N 0 0 168.236 1.683 10 0 ADAERN O=C([O-])[C@H](CC1CC[NH2+]CC1)C1CC1 258157606 573856514 /nfs/dbraw/zinc/85/65/14/573856514.db2.gz SMPRPBIQUXZPMK-SNVBAGLBSA-N 0 0 197.278 1.487 10 0 ADAERN CON(C)C(=O)C[C@@H]1C=CCCC1 308456163 573856522 /nfs/dbraw/zinc/85/65/22/573856522.db2.gz GBUKVVSGWBWECT-SECBINFHSA-N 0 0 183.251 1.753 10 0 ADAERN C[C@H]1CCO[C@H]1c1ocnc1CO 125271109 573856528 /nfs/dbraw/zinc/85/65/28/573856528.db2.gz ZWOHCTVQGWQGLK-POYBYMJQSA-N 0 0 183.207 1.264 10 0 ADAERN CC(=O)c1cnc(OC(C)(C)C)nc1 238153928 573856543 /nfs/dbraw/zinc/85/65/43/573856543.db2.gz CCLOKZNSTPQJMW-UHFFFAOYSA-N 0 0 194.234 1.857 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)CC(C)(F)F 308455978 573856556 /nfs/dbraw/zinc/85/65/56/573856556.db2.gz FZEWNIMFGXCMHG-NKWVEPMBSA-N 0 0 191.221 1.946 10 0 ADAERN CC(C)=C[C@@](C)(O)C(C)(C)CO 238167133 573856557 /nfs/dbraw/zinc/85/65/57/573856557.db2.gz XVBDQFDZXFWAGC-SNVBAGLBSA-N 0 0 172.268 1.722 10 0 ADAERN Cc1[nH][nH]c2c(C(C)C)[nH]c(=O)c1-2 238166875 573856574 /nfs/dbraw/zinc/85/65/74/573856574.db2.gz IDXILLSOOOHNGK-ZETCQYMHSA-N 0 0 179.223 1.159 10 0 ADAERN O=c1[n-]nc(-c2ccc(Cl)nc2)o1 258157780 573856576 /nfs/dbraw/zinc/85/65/76/573856576.db2.gz SPBZLCXSOHKCHG-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN [NH3+]C[C@@H](F)CNc1ccc(F)cc1 257890390 573856579 /nfs/dbraw/zinc/85/65/79/573856579.db2.gz NIVBQPOETRMMDV-MRVPVSSYSA-N 0 0 186.205 1.534 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)OCCC2 238542979 573856593 /nfs/dbraw/zinc/85/65/93/573856593.db2.gz XFJIZPRJRQCCBX-UHFFFAOYSA-N 0 0 165.192 1.008 10 0 ADAERN Cc1ccccc1[C@H]1CNNC(=O)O1 257890624 573856598 /nfs/dbraw/zinc/85/65/98/573856598.db2.gz WYIQDOWYDPQRLE-SECBINFHSA-N 0 0 192.218 1.281 10 0 ADAERN CC(C)Nc1ncn(C)c2ncnc1-2 238167237 573856611 /nfs/dbraw/zinc/85/66/11/573856611.db2.gz VSXUMXBHKLVSAQ-UHFFFAOYSA-N 0 0 191.238 1.135 10 0 ADAERN CC(=O)C1=C(O)C[C@@H](C(C)C)C1 238166134 573856618 /nfs/dbraw/zinc/85/66/18/573856618.db2.gz XTJOBPYMNBWTGL-IUCAKERBSA-N 0 0 168.236 1.827 10 0 ADAERN CC(C)C[N@@H+]1CC[C@H]2C[C@@]2(C(=O)[O-])C1 238154437 573856629 /nfs/dbraw/zinc/85/66/29/573856629.db2.gz OISFFCDXPUYWCE-GXSJLCMTSA-N 0 0 197.278 1.439 10 0 ADAERN O[C@H]1CCC[C@@H](Nc2ccncn2)C1 79554048 573856638 /nfs/dbraw/zinc/85/66/38/573856638.db2.gz HZNPIPMIZNQTEV-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN Cc1o[nH]c2c(C(C)C)[nH]c(=O)c1-2 238166902 573856669 /nfs/dbraw/zinc/85/66/69/573856669.db2.gz TVDJHVCCYRBORN-ZETCQYMHSA-N 0 0 180.207 1.424 10 0 ADAERN CC(C)OC(=O)CN[C@H]1C=CCCC1 308769499 573856687 /nfs/dbraw/zinc/85/66/87/573856687.db2.gz YEROAIGLIFGVPB-JTQLQIEISA-N 0 0 197.278 1.636 10 0 ADAERN CCN1C[C@H]([C@@H](C)O)c2ccccc21 257889938 573856691 /nfs/dbraw/zinc/85/66/91/573856691.db2.gz KZDHGZVPNUZAMV-MWLCHTKSSA-N 0 0 191.274 1.991 10 0 ADAERN OC/C=C/[C@@H]1CCSC1 224724378 573856715 /nfs/dbraw/zinc/85/67/15/573856715.db2.gz QUWVMCVCZUMNSX-QOHHWTFISA-N 0 0 144.239 1.288 10 0 ADAERN Cc1nc2[nH]cnc2cc1Cl 238542972 573856723 /nfs/dbraw/zinc/85/67/23/573856723.db2.gz MRMKLQWLPUKWLI-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN CN[C@@H](C1CCOCC1)C(F)(F)F 84360784 573856756 /nfs/dbraw/zinc/85/67/56/573856756.db2.gz RAMLTHPDLYZFOC-ZETCQYMHSA-N 0 0 197.200 1.563 10 0 ADAERN CCCC1(O)CN(c2nccs2)C1 84362972 573856776 /nfs/dbraw/zinc/85/67/76/573856776.db2.gz JPBORYUWHWZFDW-UHFFFAOYSA-N 0 0 198.291 1.494 10 0 ADAERN CC(=O)[C@@H](CC(C)C)[C@@H](C)O 238154164 573856788 /nfs/dbraw/zinc/85/67/88/573856788.db2.gz ZURZRAAAEZNTTI-APPZFPTMSA-N 0 0 158.241 1.619 10 0 ADAERN O=C(NCl)NC(=O)c1ccccc1 238541740 573856790 /nfs/dbraw/zinc/85/67/90/573856790.db2.gz LBGHVRIUMRDCLV-UHFFFAOYSA-N 0 0 198.609 1.280 10 0 ADAERN NC(=O)[C@@H]1CC[C@H]2CCC[C@@H]2C1 238542644 573856802 /nfs/dbraw/zinc/85/68/02/573856802.db2.gz JNLYOTOPFRNWTQ-IWSPIJDZSA-N 0 0 167.252 1.688 10 0 ADAERN CCCC1(O)C[NH+](C(C)C)C1 84363585 573856807 /nfs/dbraw/zinc/85/68/07/573856807.db2.gz KAUDFOUAQQIWOK-UHFFFAOYSA-N 0 0 157.257 1.242 10 0 ADAERN C[C@H]1CCO[C@@H]1c1ocnc1CO 125270645 573856808 /nfs/dbraw/zinc/85/68/08/573856808.db2.gz ZWOHCTVQGWQGLK-XPUUQOCRSA-N 0 0 183.207 1.264 10 0 ADAERN CON(C)C(=O)[C@@H](C)C1CCCC1 308456234 573856826 /nfs/dbraw/zinc/85/68/26/573856826.db2.gz GCCZODVDLDKYGO-QMMMGPOBSA-N 0 0 185.267 1.833 10 0 ADAERN C[C@@H](O)Cc1cnc([C@@H]2CCCO2)o1 257890608 573856832 /nfs/dbraw/zinc/85/68/32/573856832.db2.gz BBEWUTFCFJMQOW-APPZFPTMSA-N 0 0 197.234 1.449 10 0 ADAERN CC1(C)OC(=O)N[C@@H]1c1ccco1 238166863 573856837 /nfs/dbraw/zinc/85/68/37/573856837.db2.gz FFMOLRVPKDLDTL-SSDOTTSWSA-N 0 0 181.191 1.839 10 0 ADAERN CCN1C[C@@H]([C@H](C)O)c2ccccc21 257889940 573856860 /nfs/dbraw/zinc/85/68/60/573856860.db2.gz KZDHGZVPNUZAMV-ONGXEEELSA-N 0 0 191.274 1.991 10 0 ADAERN [NH3+]C1(c2ccc3c(c2F)CCO3)CC1 258163172 573856879 /nfs/dbraw/zinc/85/68/79/573856879.db2.gz VIADQWXQPOCFPE-UHFFFAOYSA-N 0 0 193.221 1.708 10 0 ADAERN CC[C@@H](O)[C@H](C)n1cnc(C(C)C)n1 308456464 573856885 /nfs/dbraw/zinc/85/68/85/573856885.db2.gz DEPYFFCWGZRJAS-DTWKUNHWSA-N 0 0 197.282 1.733 10 0 ADAERN CC(=O)[C@H]1C=C[C@@](C)(O)CC1 238167130 573856892 /nfs/dbraw/zinc/85/68/92/573856892.db2.gz PLMRVYZOTDNMRT-DTWKUNHWSA-N 0 0 154.209 1.293 10 0 ADAERN CCc1c(N)nn(C)c1CC(C)C 257890353 573856900 /nfs/dbraw/zinc/85/69/00/573856900.db2.gz NIANSVSSINTWJU-UHFFFAOYSA-N 0 0 181.283 1.763 10 0 ADAERN Cc1ccc2c(c1[C@H](C)O)OCCO2 258158013 573856937 /nfs/dbraw/zinc/85/69/37/573856937.db2.gz UULTZODRXNIBSA-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN Cc1ccc(CC2(O)COC2)cc1 84333978 573857042 /nfs/dbraw/zinc/85/70/42/573857042.db2.gz XJJPPBVWACPLHG-UHFFFAOYSA-N 0 0 178.231 1.299 10 0 ADAERN CC1=CC[C@@H](C)[C@@H]1O 197071690 573857045 /nfs/dbraw/zinc/85/70/45/573857045.db2.gz IRQKXYDZHRJRLF-RNFRBKRXSA-N 0 0 112.172 1.333 10 0 ADAERN CCc1nn(C)c2c1NC[C@H](CC)N2 87261172 573857726 /nfs/dbraw/zinc/85/77/26/573857726.db2.gz PCCIHWUCZBVDLP-ZETCQYMHSA-N 0 0 194.282 1.599 10 0 ADAERN CC(C)C[C@@H]1COC[C@H]1[C@H](C)O 716278187 573857753 /nfs/dbraw/zinc/85/77/53/573857753.db2.gz IHDZRPZGBNBRDD-AEJSXWLSSA-N 0 0 172.268 1.676 10 0 ADAERN CC(C)OCC[C@@H]1CCC[C@H]1O 43656318 573857756 /nfs/dbraw/zinc/85/77/56/573857756.db2.gz QGMWBBUCFVRWGI-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN COC[C@H](C)Nc1cc(C)n(C)n1 125283020 573857765 /nfs/dbraw/zinc/85/77/65/573857765.db2.gz IKGXLDWXUXPDLQ-ZETCQYMHSA-N 0 0 183.255 1.175 10 0 ADAERN CC(C)C[C@@H]1COC[C@@H]1[C@H](C)O 716278195 573857073 /nfs/dbraw/zinc/85/70/73/573857073.db2.gz IHDZRPZGBNBRDD-IVZWLZJFSA-N 0 0 172.268 1.676 10 0 ADAERN COc1ncnc2c1NCC(C)(C)N2 87261548 573857075 /nfs/dbraw/zinc/85/70/75/573857075.db2.gz WTUZLQBRFJXVPX-UHFFFAOYSA-N 0 0 194.238 1.101 10 0 ADAERN c1cnc2c(c1)NCCN2CC1CC1 87262138 573857081 /nfs/dbraw/zinc/85/70/81/573857081.db2.gz LHGKVLQJXGDMJT-UHFFFAOYSA-N 0 0 189.262 1.724 10 0 ADAERN Cc1cc(C)c2c(c1)C(=O)OC2 197062547 573857103 /nfs/dbraw/zinc/85/71/03/573857103.db2.gz TWHRMRIAZJBYSU-UHFFFAOYSA-N 0 0 162.188 1.974 10 0 ADAERN COc1cccc(F)c1CC1(O)CC1 258155609 573857107 /nfs/dbraw/zinc/85/71/07/573857107.db2.gz URKDJEAAKMMSRA-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN Cc1nn(C)c2c1NC[C@@H](C)CN2 87261511 573857110 /nfs/dbraw/zinc/85/71/10/573857110.db2.gz UFDAGNGMNAOYHH-ZCFIWIBFSA-N 0 0 180.255 1.202 10 0 ADAERN CC(=O)c1cccc(=O)n1C(C)C 257890307 573857122 /nfs/dbraw/zinc/85/71/22/573857122.db2.gz NGPDSCFVNGJYCS-UHFFFAOYSA-N 0 0 179.219 1.632 10 0 ADAERN CC1(C)CC[C@H](O)C(=O)C1 101258567 573857157 /nfs/dbraw/zinc/85/71/57/573857157.db2.gz WATCMVWBMYXVNZ-LURJTMIESA-N 0 0 142.198 1.127 10 0 ADAERN c1cnc2c(c1)NCCN2C1CC1 87262015 573857170 /nfs/dbraw/zinc/85/71/70/573857170.db2.gz NMTPUFLUJGOPSP-UHFFFAOYSA-N 0 0 175.235 1.476 10 0 ADAERN CCCn1ncnc1[C@](C)(O)CC 393565931 573857179 /nfs/dbraw/zinc/85/71/79/573857179.db2.gz KVLBLNIALQOPFV-SECBINFHSA-N 0 0 183.255 1.306 10 0 ADAERN O=C1CCc2c(F)cc3n[nH]cc3c21 238544198 573857181 /nfs/dbraw/zinc/85/71/81/573857181.db2.gz ADWQBWAZTIJJEQ-UHFFFAOYSA-N 0 0 190.177 1.831 10 0 ADAERN OC1(C2CCCCC2)COC1 84328983 573857187 /nfs/dbraw/zinc/85/71/87/573857187.db2.gz ARLXJVAGLURHIE-UHFFFAOYSA-N 0 0 156.225 1.328 10 0 ADAERN CCCN1CCNc2cccnc21 87261316 573857192 /nfs/dbraw/zinc/85/71/92/573857192.db2.gz NBDZJKRLILDXBI-UHFFFAOYSA-N 0 0 177.251 1.724 10 0 ADAERN Cc1cnc2c(c1)NC[C@@H](C)N2C 87261735 573857200 /nfs/dbraw/zinc/85/72/00/573857200.db2.gz FPVDLWDWZJKXTL-MRVPVSSYSA-N 0 0 177.251 1.640 10 0 ADAERN O=C1C[C@@H](c2cccc(O)c2)CO1 257890396 573857202 /nfs/dbraw/zinc/85/72/02/573857202.db2.gz NIVHGHPYFOQJIZ-MRVPVSSYSA-N 0 0 178.187 1.423 10 0 ADAERN OCc1nccc(C2CCCC2)n1 258973540 573857216 /nfs/dbraw/zinc/85/72/16/573857216.db2.gz AQKJBBXINXDOCK-UHFFFAOYSA-N 0 0 178.235 1.627 10 0 ADAERN CC[C@H]1CNc2cccnc2N1C 87262280 573857238 /nfs/dbraw/zinc/85/72/38/573857238.db2.gz CPYXHXVJYIMWLL-QMMMGPOBSA-N 0 0 177.251 1.722 10 0 ADAERN OC1(c2cccc(F)c2)COC1 84331357 573857258 /nfs/dbraw/zinc/85/72/58/573857258.db2.gz NUTMORXEYPPUPX-UHFFFAOYSA-N 0 0 168.167 1.044 10 0 ADAERN [NH3+]C1(Cc2cc(F)c(O)cc2F)CC1 258157172 573857283 /nfs/dbraw/zinc/85/72/83/573857283.db2.gz PDHMSJXFIAOAPQ-UHFFFAOYSA-N 0 0 199.200 1.704 10 0 ADAERN CCC1(O)CN(Cc2ccccn2)C1 84360424 573857286 /nfs/dbraw/zinc/85/72/86/573857286.db2.gz BZOWFODZIQBWMD-UHFFFAOYSA-N 0 0 192.262 1.038 10 0 ADAERN COc1ncnc2c1NCC[C@@H](C)N2 87261231 573857297 /nfs/dbraw/zinc/85/72/97/573857297.db2.gz QNGDXAOHDACZNM-ZCFIWIBFSA-N 0 0 194.238 1.101 10 0 ADAERN C[C@H](O)Cc1cc2c(cc1O)COC2 258155627 573857315 /nfs/dbraw/zinc/85/73/15/573857315.db2.gz URMHFSQLHXWNQM-ZETCQYMHSA-N 0 0 194.230 1.346 10 0 ADAERN OCC/C=C\C[C@@H]1CCCCO1 258156454 573857324 /nfs/dbraw/zinc/85/73/24/573857324.db2.gz KRIABBAMTWUNPX-JWXWKVPASA-N 0 0 170.252 1.884 10 0 ADAERN Cc1c(O)cnc(C(F)F)c1O 238544403 573857326 /nfs/dbraw/zinc/85/73/26/573857326.db2.gz ZPUGUEAMGWMQSQ-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN O=CNc1cnc2ccccc2n1 79597381 573857346 /nfs/dbraw/zinc/85/73/46/573857346.db2.gz RQZGSCUWEWXSGI-UHFFFAOYSA-N 0 0 173.175 1.198 10 0 ADAERN C=Cc1[nH]nc(C=O)c1C 238544249 573857366 /nfs/dbraw/zinc/85/73/66/573857366.db2.gz LZUKAEWMMIYIKW-UHFFFAOYSA-N 0 0 136.154 1.174 10 0 ADAERN COc1cc([C@@H](C)O)cc(C)c1O 258157946 573857373 /nfs/dbraw/zinc/85/73/73/573857373.db2.gz USSBMMKTKOOMHA-SSDOTTSWSA-N 0 0 182.219 1.763 10 0 ADAERN Cc1nn(C)c2c1NCC[C@@H](C)N2 87261243 573857374 /nfs/dbraw/zinc/85/73/74/573857374.db2.gz KBEJZQOXFNVMDR-ZCFIWIBFSA-N 0 0 180.255 1.345 10 0 ADAERN CC[C@H](O)[C@H](C)n1cnc(C(C)C)n1 308456465 573857375 /nfs/dbraw/zinc/85/73/75/573857375.db2.gz DEPYFFCWGZRJAS-IUCAKERBSA-N 0 0 197.282 1.733 10 0 ADAERN CC(C)C[C@@H]1COC[C@H]1[C@@H](C)O 716278193 573857376 /nfs/dbraw/zinc/85/73/76/573857376.db2.gz IHDZRPZGBNBRDD-BBBLOLIVSA-N 0 0 172.268 1.676 10 0 ADAERN O=C([O-])[C@@H](CC1CC[NH2+]CC1)C1CC1 258157602 573857385 /nfs/dbraw/zinc/85/73/85/573857385.db2.gz SMPRPBIQUXZPMK-JTQLQIEISA-N 0 0 197.278 1.487 10 0 ADAERN O=C(c1cscn1)C1CCOCC1 84361179 573857387 /nfs/dbraw/zinc/85/73/87/573857387.db2.gz ZKQURWBOJPKXBD-UHFFFAOYSA-N 0 0 197.259 1.752 10 0 ADAERN CCc1ccsc1CNC(C)=O 87263249 573857400 /nfs/dbraw/zinc/85/74/00/573857400.db2.gz RUQNZUFZQSEPPR-UHFFFAOYSA-N 0 0 183.276 1.947 10 0 ADAERN COc1cc(O)cc(C)c1[C@@H](C)CO 258155637 573857407 /nfs/dbraw/zinc/85/74/07/573857407.db2.gz URVDBNYVMFPIEQ-QMMMGPOBSA-N 0 0 196.246 1.805 10 0 ADAERN CCC1(O)CN(C[C@H]2CCCCO2)C1 84360358 573857411 /nfs/dbraw/zinc/85/74/11/573857411.db2.gz JGPODKSGAHIBJO-SNVBAGLBSA-N 0 0 199.294 1.012 10 0 ADAERN COC(=O)c1nc(C)c2cc[nH]c2n1 259210858 573857415 /nfs/dbraw/zinc/85/74/15/573857415.db2.gz AOHBEPSVYKETMD-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN Cc1nn(C)c2c1NCC1(CC1)N2 87261354 573857417 /nfs/dbraw/zinc/85/74/17/573857417.db2.gz NKRVDFGJRHGTND-UHFFFAOYSA-N 0 0 178.239 1.099 10 0 ADAERN OCCc1nc([C@@H]2CCCS2)co1 258157793 573857426 /nfs/dbraw/zinc/85/74/26/573857426.db2.gz SPESFXWGCXBCLD-QMMMGPOBSA-N 0 0 199.275 1.778 10 0 ADAERN Cc1nn(C)c2c1NCCN2C1CC1 87262023 573857438 /nfs/dbraw/zinc/85/74/38/573857438.db2.gz BVOWFYZYRPZQHP-UHFFFAOYSA-N 0 0 192.266 1.123 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)CCC1CCC1 689996159 573857454 /nfs/dbraw/zinc/85/74/54/573857454.db2.gz WVMWPXYSLHHMKZ-GARJFASQSA-N 0 0 184.279 1.963 10 0 ADAERN CC[C@H]1CNc2cccnc2NC1 87262461 573857461 /nfs/dbraw/zinc/85/74/61/573857461.db2.gz YDSBMTUUGIOZAH-QMMMGPOBSA-N 0 0 177.251 1.945 10 0 ADAERN O=C1N[C@H]2c3c(F)cccc3C[C@H]12 238544346 573857484 /nfs/dbraw/zinc/85/74/84/573857484.db2.gz VZKSORDYBGXCBL-IMTBSYHQSA-N 0 0 177.178 1.169 10 0 ADAERN Cc1cc(F)cc([C@@H]2CNC(=O)C2)c1 238544295 573857502 /nfs/dbraw/zinc/85/75/02/573857502.db2.gz CCLQKTUDWZMWSD-VIFPVBQESA-N 0 0 193.221 1.738 10 0 ADAERN CC(C)c1nc(CO)[nH]c1C1CC1 257890375 573857504 /nfs/dbraw/zinc/85/75/04/573857504.db2.gz NINGTTOLWJSCMU-UHFFFAOYSA-N 0 0 180.251 1.903 10 0 ADAERN CC(=O)[C@@H]1C[C@@]2(C)CCC[C@@]12O 238169629 573857512 /nfs/dbraw/zinc/85/75/12/573857512.db2.gz SQIJAFHXHYYWLI-IVZWLZJFSA-N 0 0 168.236 1.517 10 0 ADAERN CC(C)C[C@@H](C)[N@@H+]1CCC[C@H]1C(=O)[O-] 238169487 573857524 /nfs/dbraw/zinc/85/75/24/573857524.db2.gz JZECYAYOIDGDJQ-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN O=C1N[C@H]2c3c(F)cccc3C[C@@H]12 238544280 573857529 /nfs/dbraw/zinc/85/75/29/573857529.db2.gz VZKSORDYBGXCBL-HZGVNTEJSA-N 0 0 177.178 1.169 10 0 ADAERN c1cc2c(c(OC3COC3)c1)NCC2 257891744 573857533 /nfs/dbraw/zinc/85/75/33/573857533.db2.gz CPKWMTBSHXKYIL-UHFFFAOYSA-N 0 0 191.230 1.432 10 0 ADAERN CCC1(O)CN(Cc2ccsc2)C1 84359820 573857534 /nfs/dbraw/zinc/85/75/34/573857534.db2.gz FQLVGDOIVPZOIY-UHFFFAOYSA-N 0 0 197.303 1.705 10 0 ADAERN CC(=O)C[C@H](C)n1cnc(C(C)C)n1 308455668 573857546 /nfs/dbraw/zinc/85/75/46/573857546.db2.gz DBSJKNATDDHTMH-QMMMGPOBSA-N 0 0 195.266 1.942 10 0 ADAERN CC[C@@H]1CNc2c(C)nn(C)c2NC1 87262476 573857552 /nfs/dbraw/zinc/85/75/52/573857552.db2.gz XYMUMGSUMLBBEG-MRVPVSSYSA-N 0 0 194.282 1.592 10 0 ADAERN CON(C)C(=O)C[C@H]1C=CCCC1 308456168 573857559 /nfs/dbraw/zinc/85/75/59/573857559.db2.gz GBUKVVSGWBWECT-VIFPVBQESA-N 0 0 183.251 1.753 10 0 ADAERN OC[C@H](O)CCc1ccccc1F 257890298 573857564 /nfs/dbraw/zinc/85/75/64/573857564.db2.gz NGMWDOISSIIMAV-SECBINFHSA-N 0 0 184.210 1.112 10 0 ADAERN CC(C)C[C@@H]1CN=C([C@@H]2CCC[NH2+]2)O1 258155738 573857568 /nfs/dbraw/zinc/85/75/68/573857568.db2.gz LLMZGWPXDSOXTM-ZJUUUORDSA-N 0 0 196.294 1.582 10 0 ADAERN O=C1N[C@@H]2c3c(F)cccc3C[C@H]12 238544359 573857579 /nfs/dbraw/zinc/85/75/79/573857579.db2.gz VZKSORDYBGXCBL-RCOVLWMOSA-N 0 0 177.178 1.169 10 0 ADAERN Cc1nn(C)c2c1NCCC(C)(C)N2 87261782 573857580 /nfs/dbraw/zinc/85/75/80/573857580.db2.gz DTVXCQZJAKXCLU-UHFFFAOYSA-N 0 0 194.282 1.735 10 0 ADAERN Cc1nn(C)c2c1NCC[C@H](C)N2 87261244 573857604 /nfs/dbraw/zinc/85/76/04/573857604.db2.gz KBEJZQOXFNVMDR-LURJTMIESA-N 0 0 180.255 1.345 10 0 ADAERN CC(C)[N@@H+]1C[C@H](C(=O)[O-])CC12CC2 257890324 573857627 /nfs/dbraw/zinc/85/76/27/573857627.db2.gz NHDHJGCHNZPIEW-MRVPVSSYSA-N 0 0 183.251 1.334 10 0 ADAERN Cc1cc2cc(C=O)[nH]c2cn1 109568229 573857639 /nfs/dbraw/zinc/85/76/39/573857639.db2.gz DBUHAHXGIPAXQL-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN O=C1C[C@H](c2cccc(O)c2)CO1 257890397 573857645 /nfs/dbraw/zinc/85/76/45/573857645.db2.gz NIVHGHPYFOQJIZ-QMMMGPOBSA-N 0 0 178.187 1.423 10 0 ADAERN CCC1(O)CN(Cc2cccnc2)C1 84360420 573857647 /nfs/dbraw/zinc/85/76/47/573857647.db2.gz JEAIWALHAQTWNZ-UHFFFAOYSA-N 0 0 192.262 1.038 10 0 ADAERN CC(C)Nc1ncnc2cc[nH]c12 238167326 573857649 /nfs/dbraw/zinc/85/76/49/573857649.db2.gz UOVOWVNFJMZUNM-UHFFFAOYSA-N 0 0 176.223 1.778 10 0 ADAERN O=C(Cc1ncccn1)c1ccc[nH]1 259213361 573857681 /nfs/dbraw/zinc/85/76/81/573857681.db2.gz RAUFGCZQJNKQNX-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN Nc1cc(-c2cc(F)ccc2O)on1 258155648 573857688 /nfs/dbraw/zinc/85/76/88/573857688.db2.gz USCLYACYQJWSOT-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN COC(=O)[C@@H](F)c1ccccc1O 257890284 573857694 /nfs/dbraw/zinc/85/76/94/573857694.db2.gz NGJBIOLZQXFCPY-QMMMGPOBSA-N 0 0 184.166 1.576 10 0 ADAERN CCCCCN1CC(=O)NC1(C)C 308456278 573857710 /nfs/dbraw/zinc/85/77/10/573857710.db2.gz GCNYFTPQYBDUIP-UHFFFAOYSA-N 0 0 184.283 1.345 10 0 ADAERN CCn1nc(C)c2c1N[C@H](C)CCN2 87261254 573857015 /nfs/dbraw/zinc/85/70/15/573857015.db2.gz RTLYCULMKKCQPS-SSDOTTSWSA-N 0 0 194.282 1.827 10 0 ADAERN CC[C@@H](O)c1ccc(OC)cc1N 257890418 573858004 /nfs/dbraw/zinc/85/80/04/573858004.db2.gz NJIWTKNFHJKIAP-SNVBAGLBSA-N 0 0 181.235 1.721 10 0 ADAERN CCN1CCNc2c(C)nn(CC)c21 87261762 573858012 /nfs/dbraw/zinc/85/80/12/573858012.db2.gz YARYRYPWYZBLHC-UHFFFAOYSA-N 0 0 194.282 1.463 10 0 ADAERN Cc1nn(C)c2c1NC[C@@H](C(C)C)N2 87260748 573858528 /nfs/dbraw/zinc/85/85/28/573858528.db2.gz TWFJPXQSHWLJGY-QMMMGPOBSA-N 0 0 194.282 1.591 10 0 ADAERN COCC[C@H]1CNc2cccnc2N1 87261903 573858567 /nfs/dbraw/zinc/85/85/67/573858567.db2.gz WCUNZBGZERVAIJ-QMMMGPOBSA-N 0 0 193.250 1.324 10 0 ADAERN Cc1cncc2sc(N)nc12 238544030 573858568 /nfs/dbraw/zinc/85/85/68/573858568.db2.gz VKONMHXCEQOARU-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN CCCCC(=O)N1CC(O)(CCC)C1 84361957 573858570 /nfs/dbraw/zinc/85/85/70/573858570.db2.gz JNYKSBPEESUAMC-UHFFFAOYSA-N 0 0 199.294 1.550 10 0 ADAERN c1ccc2c(c1)NC[C@]1(CCOC1)N2 87262645 573860049 /nfs/dbraw/zinc/86/00/49/573860049.db2.gz OAVIBJJXIMNGIO-NSHDSACASA-N 0 0 190.246 1.683 10 0 ADAERN CC[C@H](CCCOC)[C@@H](C)O 43656846 573860057 /nfs/dbraw/zinc/86/00/57/573860057.db2.gz JTFZRERDGBXIKF-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccc(F)cn1 585298709 573858023 /nfs/dbraw/zinc/85/80/23/573858023.db2.gz ZQQXRGWADLSRTC-JGVFFNPUSA-N 0 0 182.198 1.156 10 0 ADAERN CCON(C)C(=O)COC(C)(C)C 393565666 573858029 /nfs/dbraw/zinc/85/80/29/573858029.db2.gz RDLUJGUCFXAYNK-UHFFFAOYSA-N 0 0 189.255 1.211 10 0 ADAERN CC(C)(O)/C=C/[C@H](O)C(F)(F)F 238167318 573858030 /nfs/dbraw/zinc/85/80/30/573858030.db2.gz ISVQBPZFDBVFBP-BHYDHMSTSA-N 0 0 184.157 1.237 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccc(F)cn1 585298711 573858032 /nfs/dbraw/zinc/85/80/32/573858032.db2.gz ZQQXRGWADLSRTC-YUMQZZPRSA-N 0 0 182.198 1.156 10 0 ADAERN CC1=C(C=O)OC=CC1O 238543926 573858038 /nfs/dbraw/zinc/85/80/38/573858038.db2.gz FKJQZZNNUQMSPW-QPJJXVBHSA-N 0 0 140.138 1.762 10 0 ADAERN Cc1c[nH]cc2nc(Cl)nc1-2 238543972 573858052 /nfs/dbraw/zinc/85/80/52/573858052.db2.gz ZPAJODOBVMYXBJ-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN Cc1cnc2c(c1)NC[C@H]1CCCN21 87261129 573858055 /nfs/dbraw/zinc/85/80/55/573858055.db2.gz YSGKNAJXZAWTCF-SECBINFHSA-N 0 0 189.262 1.784 10 0 ADAERN CC(C)c1[nH+]cc2n1C[C@H](CO)CC2 258163243 573858056 /nfs/dbraw/zinc/85/80/56/573858056.db2.gz IFVWWVQIBYLGDA-SECBINFHSA-N 0 0 194.278 1.561 10 0 ADAERN CC(C)(C)[C@H](CO)CC1OCCO1 238168699 573858085 /nfs/dbraw/zinc/85/80/85/573858085.db2.gz KWLVTBOKQYMJSX-QMMMGPOBSA-N 0 0 188.267 1.404 10 0 ADAERN Cc1cnc2c(c1)NCCN2C1CC1 87262020 573858091 /nfs/dbraw/zinc/85/80/91/573858091.db2.gz GCHPAADCAQWKIZ-UHFFFAOYSA-N 0 0 189.262 1.784 10 0 ADAERN C[C@H](F)[C@@]([NH3+])(C(=O)[O-])C1CCCC1 257891745 573858096 /nfs/dbraw/zinc/85/80/96/573858096.db2.gz XFEBEJOXTOMYHJ-RCOVLWMOSA-N 0 0 189.230 1.317 10 0 ADAERN Cc1c(CCCO)ccc2c1OCO2 258155478 573858104 /nfs/dbraw/zinc/85/81/04/573858104.db2.gz UOHNPIJDKMFZMP-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN C/C=C/CN1CC(O)(CC)C1 84360724 573858122 /nfs/dbraw/zinc/85/81/22/573858122.db2.gz LCMJROJARVUPGR-HWKANZROSA-N 0 0 155.241 1.019 10 0 ADAERN COCCOCn1ccc(C(C)=O)c1 308455643 573858133 /nfs/dbraw/zinc/85/81/33/573858133.db2.gz CZRQMPOGJYDTRI-UHFFFAOYSA-N 0 0 197.234 1.311 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccccn1 585298706 573858155 /nfs/dbraw/zinc/85/81/55/573858155.db2.gz ZNFXQTBYBQESCW-JGVFFNPUSA-N 0 0 164.208 1.017 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccc(F)cn1 585298710 573860087 /nfs/dbraw/zinc/86/00/87/573860087.db2.gz ZQQXRGWADLSRTC-SFYZADRCSA-N 0 0 182.198 1.156 10 0 ADAERN OCCc1nc([C@H]2CCCS2)co1 258157790 573860089 /nfs/dbraw/zinc/86/00/89/573860089.db2.gz SPESFXWGCXBCLD-MRVPVSSYSA-N 0 0 199.275 1.778 10 0 ADAERN CC(=O)[C@@H]1CSCC[C@@]1(C)O 238167927 573860096 /nfs/dbraw/zinc/86/00/96/573860096.db2.gz ZGBLOLRGALMFIP-JGVFFNPUSA-N 0 0 174.265 1.080 10 0 ADAERN O[C@H](c1cn2ccccc2n1)C1CC1 84375455 573860098 /nfs/dbraw/zinc/86/00/98/573860098.db2.gz VXWOOYGJUZKOAM-NSHDSACASA-N 0 0 188.230 1.778 10 0 ADAERN CSC[C@H](C)Nc1ncccc1N 122937812 573858188 /nfs/dbraw/zinc/85/81/88/573858188.db2.gz LTYVKHHGDSMKNX-ZETCQYMHSA-N 0 0 197.307 1.827 10 0 ADAERN CC(C)c1[nH+]cc2n1C[C@@H](CO)CC2 258163246 573858190 /nfs/dbraw/zinc/85/81/90/573858190.db2.gz IFVWWVQIBYLGDA-VIFPVBQESA-N 0 0 194.278 1.561 10 0 ADAERN CC(C)(C)CC1=N[C@H]2C[NH2+]C[C@H]2O1 257890385 573858202 /nfs/dbraw/zinc/85/82/02/573858202.db2.gz GLSKHZQUEDPKKM-JGVFFNPUSA-N 0 0 182.267 1.192 10 0 ADAERN COCCCN(CC(C)(C)C)OC 308456865 573858234 /nfs/dbraw/zinc/85/82/34/573858234.db2.gz GEKLHMATEGKPOZ-UHFFFAOYSA-N 0 0 189.299 1.932 10 0 ADAERN O=C([O-])C1(C[NH2+]CC2CCC2)CC1 258973194 573858248 /nfs/dbraw/zinc/85/82/48/573858248.db2.gz TUMAPLWHXCBZEQ-UHFFFAOYSA-N 0 0 183.251 1.241 10 0 ADAERN CC(C)(C)CC1=N[C@@H]2C[NH2+]C[C@@H]2O1 257890387 573858259 /nfs/dbraw/zinc/85/82/59/573858259.db2.gz GLSKHZQUEDPKKM-SFYZADRCSA-N 0 0 182.267 1.192 10 0 ADAERN CC(C)Oc1cc2n[nH]nc2cc1F 238168788 573858260 /nfs/dbraw/zinc/85/82/60/573858260.db2.gz PQXNURRVEHRLKC-UHFFFAOYSA-N 0 0 195.197 1.884 10 0 ADAERN COc1cc(O)cc2c1CCN2 101252787 573858265 /nfs/dbraw/zinc/85/82/65/573858265.db2.gz AAFJWRYOIIZQQX-UHFFFAOYSA-N 0 0 165.192 1.369 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)CC(C)(F)F 308455974 573858270 /nfs/dbraw/zinc/85/82/70/573858270.db2.gz FZEWNIMFGXCMHG-BQBZGAKWSA-N 0 0 191.221 1.946 10 0 ADAERN O[C@@H]1CC[C@H]2N=C(C3CC3)O[C@@H]2C1 258156237 573858279 /nfs/dbraw/zinc/85/82/79/573858279.db2.gz YEXVPZMOFHFEDK-IWSPIJDZSA-N 0 0 181.235 1.107 10 0 ADAERN Cc1cccc(C2(O)COC2)c1 84330158 573858284 /nfs/dbraw/zinc/85/82/84/573858284.db2.gz LZIXJNQKAVPEGF-UHFFFAOYSA-N 0 0 164.204 1.213 10 0 ADAERN CN[C@H](C1CCOCC1)C(F)(F)F 84360787 573858292 /nfs/dbraw/zinc/85/82/92/573858292.db2.gz RAMLTHPDLYZFOC-SSDOTTSWSA-N 0 0 197.200 1.563 10 0 ADAERN O=C1Cc2cccc(F)c2C12CC2 238544096 573858307 /nfs/dbraw/zinc/85/83/07/573858307.db2.gz TXZCFQNPILMFON-UHFFFAOYSA-N 0 0 176.190 1.983 10 0 ADAERN CC[C@H](O)c1ccc(OC)cc1N 257890416 573858325 /nfs/dbraw/zinc/85/83/25/573858325.db2.gz NJIWTKNFHJKIAP-JTQLQIEISA-N 0 0 181.235 1.721 10 0 ADAERN CC1(C)CCC(=O)C(C)(C)C1=O 224739072 573858348 /nfs/dbraw/zinc/85/83/48/573858348.db2.gz FMXLCHRWKQZHLK-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1cc2c(cc1CO)CCC2 238544205 573858354 /nfs/dbraw/zinc/85/83/54/573858354.db2.gz OPCXLZCHCCIDLP-UHFFFAOYSA-N 0 0 162.232 1.976 10 0 ADAERN O=C1N[C@@H]2c3c(F)cccc3C[C@@H]12 238544296 573858361 /nfs/dbraw/zinc/85/83/61/573858361.db2.gz VZKSORDYBGXCBL-MUWHJKNJSA-N 0 0 177.178 1.169 10 0 ADAERN NC(=O)c1cc2c(cn1)CCCC2 238544421 573858368 /nfs/dbraw/zinc/85/83/68/573858368.db2.gz HSOTZPXLLLVBRW-UHFFFAOYSA-N 0 0 176.219 1.059 10 0 ADAERN CC(C)[C@@H]1N[C@@H](C(C)(C)C)N(C)C1=O 238169332 573858402 /nfs/dbraw/zinc/85/84/02/573858402.db2.gz KOBOSYJKUWOHSW-WCBMZHEXSA-N 0 0 198.310 1.445 10 0 ADAERN O=CC(=O)Cc1c(F)cccc1F 238544341 573858425 /nfs/dbraw/zinc/85/84/25/573858425.db2.gz OMWXRHSDTGZPJB-UHFFFAOYSA-N 0 0 184.141 1.275 10 0 ADAERN CC(C)[C@]1(O)CCCSC1 84329693 573858447 /nfs/dbraw/zinc/85/84/47/573858447.db2.gz USBYAUAXVFTHOH-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN Cc1c(O)cnc(C(F)F)c1CO 238544278 573858451 /nfs/dbraw/zinc/85/84/51/573858451.db2.gz DZXIUVLVFGQJPH-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CCC1(O)CN(Cc2ccc(C)o2)C1 84360941 573858459 /nfs/dbraw/zinc/85/84/59/573858459.db2.gz PQZAUBKBFQWOHR-UHFFFAOYSA-N 0 0 195.262 1.545 10 0 ADAERN CC(=O)[C@@H]1CC[C@]2(CO)CCC[C@@H]12 238167328 573858481 /nfs/dbraw/zinc/85/84/81/573858481.db2.gz UPGDMHXIWXFBPD-DCAQKATOSA-N 0 0 182.263 1.764 10 0 ADAERN CC(=O)[C@@H]1COC[C@@H]1C(C)(C)C 238167745 573858490 /nfs/dbraw/zinc/85/84/90/573858490.db2.gz PTKNWTXILDJNES-IUCAKERBSA-N 0 0 170.252 1.884 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCC[C@@H]1CC(=O)[O-] 238167758 573858495 /nfs/dbraw/zinc/85/84/95/573858495.db2.gz ABMKJFSINGJOBC-SCZZXKLOSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)c1nc2ccc(CO)nc2[nH]1 238169656 573858501 /nfs/dbraw/zinc/85/85/01/573858501.db2.gz YRFXHGRNASYPKI-UHFFFAOYSA-N 0 0 191.234 1.574 10 0 ADAERN CN1CC2=CC=CC=C[C@H]2C1=O 197073064 573858513 /nfs/dbraw/zinc/85/85/13/573858513.db2.gz FRNHEUDLLMTGLL-SECBINFHSA-N 0 0 161.204 1.127 10 0 ADAERN CC[C@H]1CNc2c(ncnc2OC)N1 87261188 573860816 /nfs/dbraw/zinc/86/08/16/573860816.db2.gz FFWLDUACVWUEIM-LURJTMIESA-N 0 0 194.238 1.101 10 0 ADAERN Cc1nn(C)c2c1NCC(C)(C)N2 87261554 573861588 /nfs/dbraw/zinc/86/15/88/573861588.db2.gz YELZGAFZXVCFRG-UHFFFAOYSA-N 0 0 180.255 1.345 10 0 ADAERN Cc1nc(N)c(O)cc1C(F)F 238548037 573860890 /nfs/dbraw/zinc/86/08/90/573860890.db2.gz JYBXMXJEKOCCEH-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN Cc1cccc(C2=NCCO2)c1O 238547442 573860900 /nfs/dbraw/zinc/86/09/00/573860900.db2.gz UCYLHSJIJUAXDE-UHFFFAOYSA-N 0 0 177.203 1.477 10 0 ADAERN CCn1nc(C)c2c1NC(C)(C)CN2 87261558 573860907 /nfs/dbraw/zinc/86/09/07/573860907.db2.gz QVOWTNPUTPGAJQ-UHFFFAOYSA-N 0 0 194.282 1.827 10 0 ADAERN Cc1nc(N)c(C=O)cc1C(F)F 238547109 573860916 /nfs/dbraw/zinc/86/09/16/573860916.db2.gz UFOBKVYGJHEGNC-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CCOC(=O)CC[C@@H]1CCS1 259576089 573860925 /nfs/dbraw/zinc/86/09/25/573860925.db2.gz JRVJVSXVKOCQPY-SSDOTTSWSA-N 0 0 174.265 1.835 10 0 ADAERN CCOC(=O)/C(=C/C(C)=C\CO)CC 308458329 573860948 /nfs/dbraw/zinc/86/09/48/573860948.db2.gz YQYKHFKZKIXMPM-NULKZJHKSA-N 0 0 198.262 1.825 10 0 ADAERN CC(C)[C@@]1(O)CCCSC1 84329695 573860951 /nfs/dbraw/zinc/86/09/51/573860951.db2.gz USBYAUAXVFTHOH-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN CC(C)[C@H]1C[C@@](C)(O)C(=S)N1 238169408 573860963 /nfs/dbraw/zinc/86/09/63/573860963.db2.gz XRGBRCPYJGJAJY-HTRCEHHLSA-N 0 0 173.281 1.083 10 0 ADAERN CCc1nn(C)c2c1NC[C@@H](CC)N2 87261171 573860972 /nfs/dbraw/zinc/86/09/72/573860972.db2.gz PCCIHWUCZBVDLP-SSDOTTSWSA-N 0 0 194.282 1.599 10 0 ADAERN CC(=O)CC[C@@H](O)C=C(C)C 238169347 573860976 /nfs/dbraw/zinc/86/09/76/573860976.db2.gz PMEHWNMPRUISCT-SECBINFHSA-N 0 0 156.225 1.683 10 0 ADAERN CC[C@]1(O)CCCSC1 84328024 573861001 /nfs/dbraw/zinc/86/10/01/573861001.db2.gz CLCHVLPQOHQLRE-ZETCQYMHSA-N 0 0 146.255 1.655 10 0 ADAERN CCN1C[C@H](C)CNc2cccnc21 87262229 573861012 /nfs/dbraw/zinc/86/10/12/573861012.db2.gz LQPNDHNZFOKMAE-SECBINFHSA-N 0 0 191.278 1.970 10 0 ADAERN Cc1cnc2c(c1)NCC1(CC1)N2 87261351 573861024 /nfs/dbraw/zinc/86/10/24/573861024.db2.gz WVQCPOHQGBJYTN-UHFFFAOYSA-N 0 0 175.235 1.760 10 0 ADAERN C[C@@H]1CCCc2cncn21 222352332 573861032 /nfs/dbraw/zinc/86/10/32/573861032.db2.gz MKIIWLKYHMDOKD-SSDOTTSWSA-N 0 0 136.198 1.780 10 0 ADAERN CC(C)(C)[C@@]1(O)CCCOCC1 84375393 573861046 /nfs/dbraw/zinc/86/10/46/573861046.db2.gz ASHXPNPYLYMPDZ-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN COCCOCC[C@@H](O)c1ccc[nH]1 308458180 573861074 /nfs/dbraw/zinc/86/10/74/573861074.db2.gz FIQNGNAGNMWEKS-SNVBAGLBSA-N 0 0 199.250 1.101 10 0 ADAERN C[C@@H]1C[C@@](O)(C2CC2)CCO1 84375214 573861082 /nfs/dbraw/zinc/86/10/82/573861082.db2.gz VGMTWHBCRQXGIX-VXNVDRBHSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)[C@@H]1N[C@H](C(C)(C)C)N(C)C1=O 238169605 573861086 /nfs/dbraw/zinc/86/10/86/573861086.db2.gz KOBOSYJKUWOHSW-WPRPVWTQSA-N 0 0 198.310 1.445 10 0 ADAERN Cc1c(C(F)F)c(N)c[nH]c1=O 238547567 573861088 /nfs/dbraw/zinc/86/10/88/573861088.db2.gz BFZDBCNRDRICSM-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN c1nsnc1N1CCCCC1 76500879 573861126 /nfs/dbraw/zinc/86/11/26/573861126.db2.gz SLJWGNPIRVMMKR-UHFFFAOYSA-N 0 0 169.253 1.528 10 0 ADAERN CC[C@@H]1CNc2c(C)nn(C)c2N1 87261197 573861133 /nfs/dbraw/zinc/86/11/33/573861133.db2.gz BAFGRBJNYWKUBA-SSDOTTSWSA-N 0 0 180.255 1.345 10 0 ADAERN CC[C@@H]1CNc2c(C)nn(CC)c2N1 87261205 573861138 /nfs/dbraw/zinc/86/11/38/573861138.db2.gz SGUDTORECGIDGW-MRVPVSSYSA-N 0 0 194.282 1.827 10 0 ADAERN Cc1ccc(O)c(NC(N)=O)c1 101253383 573861139 /nfs/dbraw/zinc/86/11/39/573861139.db2.gz PGGPAGNDNZAGHC-UHFFFAOYSA-N 0 0 166.180 1.191 10 0 ADAERN NOCc1cccc([C@H]2CCOC2)c1 258165675 573861160 /nfs/dbraw/zinc/86/11/60/573861160.db2.gz VJMWHNZLSNJYNP-NSHDSACASA-N 0 0 193.246 1.581 10 0 ADAERN CC(C)(O)/C=C/[C@@H](O)C(F)(F)F 238167260 573861161 /nfs/dbraw/zinc/86/11/61/573861161.db2.gz ISVQBPZFDBVFBP-QLSVQJPWSA-N 0 0 184.157 1.237 10 0 ADAERN CC(=O)[C@@H]1C[C@]2(C)C=C[C@@]1(C)O2 238169737 573861167 /nfs/dbraw/zinc/86/11/67/573861167.db2.gz RBUGVHAHSZHNBH-LPEHRKFASA-N 0 0 166.220 1.699 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)CCC1CCC1 689996161 573861176 /nfs/dbraw/zinc/86/11/76/573861176.db2.gz WVMWPXYSLHHMKZ-GMTAPVOTSA-N 0 0 184.279 1.963 10 0 ADAERN CC(=O)[C@@H]1CSN=C1C 238168001 573861184 /nfs/dbraw/zinc/86/11/84/573861184.db2.gz ARAMVTOPUXAGLQ-ZCFIWIBFSA-N 0 0 143.211 1.314 10 0 ADAERN Fc1cc2n[nH]nc2cc1OC1CC1 238547012 573861198 /nfs/dbraw/zinc/86/11/98/573861198.db2.gz SPQUIFMEGIWLBF-UHFFFAOYSA-N 0 0 193.181 1.638 10 0 ADAERN CC[C@@H]1C[C@@](O)(C2CC2)CCO1 84375222 573861218 /nfs/dbraw/zinc/86/12/18/573861218.db2.gz AVIZTCCBWQTKGS-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN CSC[C@@H](C)Nc1ncccc1N 122938045 573861230 /nfs/dbraw/zinc/86/12/30/573861230.db2.gz LTYVKHHGDSMKNX-SSDOTTSWSA-N 0 0 197.307 1.827 10 0 ADAERN CC[C@H]1CNc2c(C)nn(C)c2N1 87261198 573861238 /nfs/dbraw/zinc/86/12/38/573861238.db2.gz BAFGRBJNYWKUBA-ZETCQYMHSA-N 0 0 180.255 1.345 10 0 ADAERN CC[C@@]1(O)CCCSC1 84328026 573861243 /nfs/dbraw/zinc/86/12/43/573861243.db2.gz CLCHVLPQOHQLRE-SSDOTTSWSA-N 0 0 146.255 1.655 10 0 ADAERN CCn1nc(C)c2c1NC[C@H](C)CN2 87261520 573861245 /nfs/dbraw/zinc/86/12/45/573861245.db2.gz ZYEUHRABEFAZFM-SSDOTTSWSA-N 0 0 194.282 1.685 10 0 ADAERN CC[C@@H](OC)C(=O)O[C@H]1C=CCC1 308457657 573861246 /nfs/dbraw/zinc/86/12/46/573861246.db2.gz GKWIDARTWONJJB-DTWKUNHWSA-N 0 0 184.235 1.673 10 0 ADAERN Cc1noc(-c2sc(N)cc2C)n1 101316656 573861249 /nfs/dbraw/zinc/86/12/49/573861249.db2.gz OWDVEDIQOKQRQD-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1nn(C)c2c1NC[C@H](C1CC1)N2 87262431 573861259 /nfs/dbraw/zinc/86/12/59/573861259.db2.gz ZJQMIIOXAGYXEY-MRVPVSSYSA-N 0 0 192.266 1.345 10 0 ADAERN Cc1nc(N)c(C(F)F)cc1N 238546728 573861271 /nfs/dbraw/zinc/86/12/71/573861271.db2.gz DQTNTCNAKVGGTD-UHFFFAOYSA-N 0 0 173.166 1.492 10 0 ADAERN NC(=O)[C@H]1[C@H]2[C@H]3CCC[C@H]3C[C@H]21 238546755 573861285 /nfs/dbraw/zinc/86/12/85/573861285.db2.gz PXYFIVWURXPOMU-VRGHQRLXSA-N 0 0 165.236 1.154 10 0 ADAERN CC(C)[C@H]1N=C(N)OC1(C)C 238172799 573861350 /nfs/dbraw/zinc/86/13/50/573861350.db2.gz JSKNUNLMQQBQQP-ZCFIWIBFSA-N 0 0 156.229 1.135 10 0 ADAERN CCc1nn(C)c2c1NC[C@@H](C)N2C 87261725 573861354 /nfs/dbraw/zinc/86/13/54/573861354.db2.gz ONLRUUIAVZAKSV-SSDOTTSWSA-N 0 0 194.282 1.233 10 0 ADAERN Cc1ccc(C2(O)COC2)cc1 84330159 573861355 /nfs/dbraw/zinc/86/13/55/573861355.db2.gz YMZYERPDAGXSMW-UHFFFAOYSA-N 0 0 164.204 1.213 10 0 ADAERN Cc1cnc2c(c1)NC[C@@H]1CCCN21 87261130 573861386 /nfs/dbraw/zinc/86/13/86/573861386.db2.gz YSGKNAJXZAWTCF-VIFPVBQESA-N 0 0 189.262 1.784 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)C2)cc1N 238546919 573861397 /nfs/dbraw/zinc/86/13/97/573861397.db2.gz HOKZREHQAXPGQM-SECBINFHSA-N 0 0 190.246 1.181 10 0 ADAERN O[C@@]1(C2CC2)CCCOCC1 84375395 573861403 /nfs/dbraw/zinc/86/14/03/573861403.db2.gz BFCVGQMTNSDUII-VIFPVBQESA-N 0 0 156.225 1.328 10 0 ADAERN CCc1nn(C)c2c1NC[C@H](C)CN2 87261484 573861408 /nfs/dbraw/zinc/86/14/08/573861408.db2.gz OGJTZGANTXHHSR-ZETCQYMHSA-N 0 0 194.282 1.456 10 0 ADAERN C[C@@H]1CNc2ccc(N)cc2N(C)C1 259215718 573861415 /nfs/dbraw/zinc/86/14/15/573861415.db2.gz LMLLKSWMKARYOW-MRVPVSSYSA-N 0 0 191.278 1.767 10 0 ADAERN CC[C@H]1CNc2c(C)nn(C)c2NC1 87262477 573861418 /nfs/dbraw/zinc/86/14/18/573861418.db2.gz XYMUMGSUMLBBEG-QMMMGPOBSA-N 0 0 194.282 1.592 10 0 ADAERN CNCC(F)(F)[C@@H]1CCCOC1 257891196 573861420 /nfs/dbraw/zinc/86/14/20/573861420.db2.gz NLQXTNHRKFICPW-SSDOTTSWSA-N 0 0 179.210 1.268 10 0 ADAERN Cc1c(C(F)F)c(C=O)c[nH]c1=O 238547211 573861424 /nfs/dbraw/zinc/86/14/24/573861424.db2.gz IJGSRKXYHZJGKO-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN NC(=O)[C@H]1[C@H]2c3ccccc3S[C@H]21 238546797 573861427 /nfs/dbraw/zinc/86/14/27/573861427.db2.gz JCEOQGIMVMTONB-HRDYMLBCSA-N 0 0 191.255 1.360 10 0 ADAERN COC1(c2ccccc2F)COC1 258517280 573861438 /nfs/dbraw/zinc/86/14/38/573861438.db2.gz GSSMMDUYWWASOM-UHFFFAOYSA-N 0 0 182.194 1.698 10 0 ADAERN CC[C@@H]1CNc2cccnc2NC1 87262460 573861445 /nfs/dbraw/zinc/86/14/45/573861445.db2.gz YDSBMTUUGIOZAH-MRVPVSSYSA-N 0 0 177.251 1.945 10 0 ADAERN CN[C@@H](C)c1nncc(C(C)(C)C)n1 257890753 573861448 /nfs/dbraw/zinc/86/14/48/573861448.db2.gz XAYPZPWVSVTXAS-ZETCQYMHSA-N 0 0 194.282 1.450 10 0 ADAERN CCN1C[C@@H](C)CNc2cccnc21 87262230 573861455 /nfs/dbraw/zinc/86/14/55/573861455.db2.gz LQPNDHNZFOKMAE-VIFPVBQESA-N 0 0 191.278 1.970 10 0 ADAERN CC(C)C[C@@H](C)C(N)=O 101350583 573861463 /nfs/dbraw/zinc/86/14/63/573861463.db2.gz POLRBXCXVRASTG-ZCFIWIBFSA-N 0 0 129.203 1.154 10 0 ADAERN CC(C)(C)[C@]1(O)CCCOC1 84375252 573861480 /nfs/dbraw/zinc/86/14/80/573861480.db2.gz CYCGVSNQHBXDKA-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN O=C1NC[C@@H](C2CCCCCC2)N1 257891169 573861483 /nfs/dbraw/zinc/86/14/83/573861483.db2.gz NKVVNFHUCLRDKP-VIFPVBQESA-N 0 0 182.267 1.638 10 0 ADAERN c1nsnc1NC[C@@H]1CCCO1 76500900 573861490 /nfs/dbraw/zinc/86/14/90/573861490.db2.gz PJTFPPFUPCLCOQ-LURJTMIESA-N 0 0 185.252 1.129 10 0 ADAERN CC(C)Oc1cc(C2CC2)[nH]c(=O)n1 238167734 573861512 /nfs/dbraw/zinc/86/15/12/573861512.db2.gz QZIOCZCFFWZTOO-UHFFFAOYSA-N 0 0 194.234 1.847 10 0 ADAERN CCC(=O)c1cccn1CCOC 150014007 573861558 /nfs/dbraw/zinc/86/15/58/573861558.db2.gz PMDLAKKZACCNHS-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN CC(C)=C[C@H]1CCC1(CO)CO 238170230 573864169 /nfs/dbraw/zinc/86/41/69/573864169.db2.gz GJIVCFGIDRVOCA-SECBINFHSA-N 0 0 170.252 1.334 10 0 ADAERN 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/nfs/dbraw/zinc/86/44/50/573864450.db2.gz RTARYDUCEYUOBI-SECBINFHSA-N 0 0 179.219 1.189 10 0 ADAERN Cc1ncncc1-c1nccc(F)n1 689996236 573864451 /nfs/dbraw/zinc/86/44/51/573864451.db2.gz AEHBWQIRIHNECS-UHFFFAOYSA-N 0 0 190.181 1.381 10 0 ADAERN Cc1cccn2nc(C(C)(C)O)nc12 259576697 573864453 /nfs/dbraw/zinc/86/44/53/573864453.db2.gz UAQZZXPKJFOLTN-UHFFFAOYSA-N 0 0 191.234 1.265 10 0 ADAERN CN1CC2(CCCCCC2)OC(=O)N1 257890864 573864458 /nfs/dbraw/zinc/86/44/58/573864458.db2.gz UFOUKSYKXZKMMR-UHFFFAOYSA-N 0 0 198.266 1.666 10 0 ADAERN Cc1ccccc1[C@@H]1CNNC(=O)O1 257890627 573864476 /nfs/dbraw/zinc/86/44/76/573864476.db2.gz WYIQDOWYDPQRLE-VIFPVBQESA-N 0 0 192.218 1.281 10 0 ADAERN CC(C)C[C@@]1(O)CCCC1=O 238171669 573864500 /nfs/dbraw/zinc/86/45/00/573864500.db2.gz HVPLAPBWHKVXMZ-VIFPVBQESA-N 0 0 156.225 1.517 10 0 ADAERN Cc1ccsc1N(C)CCO 258975752 573864507 /nfs/dbraw/zinc/86/45/07/573864507.db2.gz KRWPZVQSQAUDAE-UHFFFAOYSA-N 0 0 171.265 1.485 10 0 ADAERN O=C1C[C@H](c2ccnc(Cl)c2)CN1 238549058 573864540 /nfs/dbraw/zinc/86/45/40/573864540.db2.gz MZJUHNQSDPQYIJ-ZETCQYMHSA-N 0 0 196.637 1.339 10 0 ADAERN Nc1nc2c(s1)[C@H](F)CC2 258438695 573864546 /nfs/dbraw/zinc/86/45/46/573864546.db2.gz DUMOANBTYQDGQC-GSVOUGTGSA-N 0 0 158.201 1.682 10 0 ADAERN O=C1CC[C@@H]2C[C@@H](F)CC[C@@H]2N1 238549274 573864558 /nfs/dbraw/zinc/86/45/58/573864558.db2.gz MSUVJQPERNONQN-CSMHCCOUSA-N 0 0 171.215 1.403 10 0 ADAERN CC(C)=C[C@H]1[C@H](NC(N)=O)C1(C)C 238171839 573864574 /nfs/dbraw/zinc/86/45/74/573864574.db2.gz YBBQRQUBSHSETP-YUMQZZPRSA-N 0 0 182.267 1.646 10 0 ADAERN COC[C@](C)(O)c1ccc(C)c(F)c1 87283819 573864590 /nfs/dbraw/zinc/86/45/90/573864590.db2.gz WZOJBVUJHFFZRT-NSHDSACASA-N 0 0 198.237 1.988 10 0 ADAERN CC(C)[C@@H]1OC(=O)N[C@@]2(O)CCC[C@@H]12 238170286 573864597 /nfs/dbraw/zinc/86/45/97/573864597.db2.gz BUHWCOZNERYPNJ-OYNCUSHFSA-N 0 0 199.250 1.240 10 0 ADAERN CC1(C)NCCCC1(F)F 259214171 573864908 /nfs/dbraw/zinc/86/49/08/573864908.db2.gz JPAMGHUYVGWSSD-UHFFFAOYSA-N 0 0 149.184 1.784 10 0 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214998535 573871325 /nfs/dbraw/zinc/87/13/25/573871325.db2.gz XSPFJOUJEUKICX-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN CC[C@@H]1CO[C@H](c2ccoc2)C[NH2+]1 87290797 573871357 /nfs/dbraw/zinc/87/13/57/573871357.db2.gz MVHAYHDLEZNYGT-ZJUUUORDSA-N 0 0 181.235 1.719 10 0 ADAERN Cc1c(C=O)cc2c(c1C)OCO2 238541365 573871378 /nfs/dbraw/zinc/87/13/78/573871378.db2.gz BKOKNNXOUZSZPU-UHFFFAOYSA-N 0 0 178.187 1.845 10 0 ADAERN COC[C@@H](C)N(C)C(=O)C1=CCC1 393567346 573871390 /nfs/dbraw/zinc/87/13/90/573871390.db2.gz NRQCIGGTMSNJJV-MRVPVSSYSA-N 0 0 183.251 1.200 10 0 ADAERN CC(C)[C@@H]([NH3+])NC(=O)OC(C)(C)C 238163410 573871393 /nfs/dbraw/zinc/87/13/93/573871393.db2.gz SPPJLXIQDSYNCB-ZETCQYMHSA-N 0 0 188.271 1.452 10 0 ADAERN O[C@@]1(c2cccnc2)CCCSC1 84358347 573871411 /nfs/dbraw/zinc/87/14/11/573871411.db2.gz NENWSMPTIUTYQG-JTQLQIEISA-N 0 0 195.287 1.796 10 0 ADAERN OCCCc1ccc2c(c1)NCCC2 257889587 573871451 /nfs/dbraw/zinc/87/14/51/573871451.db2.gz WUNNMPCZZDUVES-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN CC(=O)c1ccc([C@@H](C)CO)cc1 80028402 573871463 /nfs/dbraw/zinc/87/14/63/573871463.db2.gz QEBNVOQZXGSKNJ-QMMMGPOBSA-N 0 0 178.231 1.985 10 0 ADAERN CSC[C@@H](C)[NH2+]C[C@H](C)C(=O)[O-] 127486953 573871495 /nfs/dbraw/zinc/87/14/95/573871495.db2.gz PLNQGHXLHCKOML-NKWVEPMBSA-N 0 0 191.296 1.048 10 0 ADAERN CC(C)[C@H]([NH3+])N1CCCCC1 238165403 573871500 /nfs/dbraw/zinc/87/15/00/573871500.db2.gz PNXHMDNODSECAQ-SECBINFHSA-N 0 0 156.273 1.413 10 0 ADAERN COC(=O)[C@]1(C2CCOCC2)C[C@@H]1C 258979900 573871504 /nfs/dbraw/zinc/87/15/04/573871504.db2.gz JKGOMBVEJSARMQ-GZMMTYOYSA-N 0 0 198.262 1.612 10 0 ADAERN Cc1nc(NC(=O)C(C)(C)C)no1 238555633 573871520 /nfs/dbraw/zinc/87/15/20/573871520.db2.gz WXVPVGQIMFXZEA-UHFFFAOYSA-N 0 0 183.211 1.363 10 0 ADAERN Cc1c[nH]c2c(=O)ccccc12 238555648 573871552 /nfs/dbraw/zinc/87/15/52/573871552.db2.gz LVIRFJPFPPILEQ-UHFFFAOYSA-N 0 0 159.188 1.837 10 0 ADAERN CC[C@@H]([NH2+]C)[C@H](C)CC(=O)[O-] 259215028 573871568 /nfs/dbraw/zinc/87/15/68/573871568.db2.gz 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/nfs/dbraw/zinc/87/16/34/573871634.db2.gz GMSRHIWDGMJLML-ZCFIWIBFSA-N 0 0 185.248 1.387 10 0 ADAERN CC(C)=C[C@@H]1CCC1(CO)CO 238164247 573871635 /nfs/dbraw/zinc/87/16/35/573871635.db2.gz GJIVCFGIDRVOCA-VIFPVBQESA-N 0 0 170.252 1.334 10 0 ADAERN O=C1N[C@H](c2ccccc2)[C@@H]1F 238550660 573871683 /nfs/dbraw/zinc/87/16/83/573871683.db2.gz YIWIHTWNUFNIPO-JGVFFNPUSA-N 0 0 165.167 1.196 10 0 ADAERN CC(C)[C@H]1COC(=O)[C@H](C(C)(C)C)N1 238165159 573871734 /nfs/dbraw/zinc/87/17/34/573871734.db2.gz FJHQCLMQEPMFLJ-RKDXNWHRSA-N 0 0 199.294 1.572 10 0 ADAERN CC(C)n1oc(=O)c2c(O)cccc21 257889715 573871760 /nfs/dbraw/zinc/87/17/60/573871760.db2.gz WYBIXLJMBYQHKW-UHFFFAOYSA-N 0 0 193.202 1.881 10 0 ADAERN CC(C)Oc1cncn1C 238163926 573871773 /nfs/dbraw/zinc/87/17/73/573871773.db2.gz HHYNMSJFNXHNTL-UHFFFAOYSA-N 0 0 140.186 1.207 10 0 ADAERN CC(=C=C[C@@H](O)CO)C(C)(C)C 238164490 573871798 /nfs/dbraw/zinc/87/17/98/573871798.db2.gz BUFDACSNVCPHCR-OLAZFDQMSA-N 0 0 170.252 1.487 10 0 ADAERN CC1(c2oc(=O)[nH]c2N)CCC1 686129271 573871811 /nfs/dbraw/zinc/87/18/11/573871811.db2.gz SOKVMWZPBGOHFJ-YFKPBYRVSA-N 0 0 168.196 1.262 10 0 ADAERN COc1ccc(NCO)c(Cl)c1 258978179 573871819 /nfs/dbraw/zinc/87/18/19/573871819.db2.gz WCOQCMWFDNDVGJ-UHFFFAOYSA-N 0 0 187.626 1.710 10 0 ADAERN Cc1coc2c1[C@H](O)CCC2 238549695 573871850 /nfs/dbraw/zinc/87/18/50/573871850.db2.gz PRHWPXBPTICXSY-SSDOTTSWSA-N 0 0 152.193 1.958 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)COC(F)F 308459359 573872238 /nfs/dbraw/zinc/87/22/38/573872238.db2.gz GZIIBTNJXGEJCX-RITPCOANSA-N 0 0 193.193 1.140 10 0 ADAERN CC1(C)C[NH2+]C[C@H](c2ccoc2)O1 87290835 573872265 /nfs/dbraw/zinc/87/22/65/573872265.db2.gz XDRGMERDNLYUML-SECBINFHSA-N 0 0 181.235 1.719 10 0 ADAERN O=C1C[C@@H]2CC[C@@H]2C[C@@H]1F 238550334 573872276 /nfs/dbraw/zinc/87/22/76/573872276.db2.gz IKELMLQFBVKOAZ-VQVTYTSYSA-N 0 0 142.173 1.714 10 0 ADAERN CC(C)C[C@H]1C(=O)N[C@H](C)[C@@H]1C 238163481 573872290 /nfs/dbraw/zinc/87/22/90/573872290.db2.gz QANQEIZKEUIXCC-DJLDLDEBSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)[C@H]1COC(=O)CS1 238165000 573872311 /nfs/dbraw/zinc/87/23/11/573872311.db2.gz UDWFWNXYHXVSPY-ZCFIWIBFSA-N 0 0 160.238 1.301 10 0 ADAERN COC(=O)[C@@]1(c2ccc[nH]2)C[C@@H]1C 258976416 573872316 /nfs/dbraw/zinc/87/23/16/573872316.db2.gz IZPUDRFKLMMGNG-XVKPBYJWSA-N 0 0 179.219 1.465 10 0 ADAERN CC1(C)C[C@]1(CO)c1ccncc1 258977659 573872342 /nfs/dbraw/zinc/87/23/42/573872342.db2.gz JANGNFNDOMYJBM-NSHDSACASA-N 0 0 177.247 1.742 10 0 ADAERN Cc1cnn([C@H](C)c2ccoc2)c1N 87290546 573872371 /nfs/dbraw/zinc/87/23/71/573872371.db2.gz BJUXLKMDQQEVHY-MRVPVSSYSA-N 0 0 191.234 1.976 10 0 ADAERN CC1(CC/C=C/CO)OCCO1 238172533 573872387 /nfs/dbraw/zinc/87/23/87/573872387.db2.gz OZLWXKPUQZDCRH-DUXPYHPUSA-N 0 0 172.224 1.078 10 0 ADAERN CC(=O)[C@@H]1OCC1(C)C 238172650 573872420 /nfs/dbraw/zinc/87/24/20/573872420.db2.gz WDEVZUZYLNJTJK-LURJTMIESA-N 0 0 128.171 1.000 10 0 ADAERN C[C@@]1(C(N)=O)C[C@H]1c1ccccc1 80021849 573872424 /nfs/dbraw/zinc/87/24/24/573872424.db2.gz NDFFYUFJJVYUQP-GXSJLCMTSA-N 0 0 175.231 1.666 10 0 ADAERN C[C@H](O)C[C@@H](C)c1cnn(C)c1 84400774 573872430 /nfs/dbraw/zinc/87/24/30/573872430.db2.gz KNDVTULBXVFSQD-SFYZADRCSA-N 0 0 168.240 1.295 10 0 ADAERN C[C@H](F)[C@](C[NH3+])(C(=O)[O-])C1CCC1 257889575 573872432 /nfs/dbraw/zinc/87/24/32/573872432.db2.gz WUGOACJZIVHTPI-RCOVLWMOSA-N 0 0 189.230 1.174 10 0 ADAERN Cc1c(OC(C)C)cnn1C 238164071 573872455 /nfs/dbraw/zinc/87/24/55/573872455.db2.gz XHXZFMNAWLNSEB-UHFFFAOYSA-N 0 0 154.213 1.516 10 0 ADAERN O=C1C=CCc2cccc(F)c2N1 238550793 573872468 /nfs/dbraw/zinc/87/24/68/573872468.db2.gz HXJIBELNHAFYRT-UHFFFAOYSA-N 0 0 177.178 1.877 10 0 ADAERN CC(C)Oc1cnn2cccnc12 238164100 573872473 /nfs/dbraw/zinc/87/24/73/573872473.db2.gz HGWPAYNMLFAGHB-UHFFFAOYSA-N 0 0 177.207 1.517 10 0 ADAERN Cn1ccc([C@H]([NH3+])C(C)(C)C(=O)[O-])c1 238550342 573872503 /nfs/dbraw/zinc/87/25/03/573872503.db2.gz SCBHKGCHDRDDMR-QMMMGPOBSA-N 0 0 196.250 1.136 10 0 ADAERN CCOC(=O)N(CCOC)C(C)C 131430078 573872512 /nfs/dbraw/zinc/87/25/12/573872512.db2.gz BVTGDMXBYKGGMH-UHFFFAOYSA-N 0 0 189.255 1.500 10 0 ADAERN Cc1coc2c1C[C@H](CO)CC2 238549735 573872513 /nfs/dbraw/zinc/87/25/13/573872513.db2.gz NACFDJDBIKFQCB-MRVPVSSYSA-N 0 0 166.220 1.685 10 0 ADAERN CN1C=CC(Cl)=C/C1=C/N 238549762 573872519 /nfs/dbraw/zinc/87/25/19/573872519.db2.gz QXMKKEDBWKKQGN-ALCCZGGFSA-N 0 0 156.616 1.368 10 0 ADAERN COc1cc(C)c(NCO)c(C)c1C 258975956 573872535 /nfs/dbraw/zinc/87/25/35/573872535.db2.gz VQRNJGWKXYTNBZ-UHFFFAOYSA-N 0 0 195.262 1.982 10 0 ADAERN ONCc1cc(Cl)c2c(c1)CCO2 214998609 573872548 /nfs/dbraw/zinc/87/25/48/573872548.db2.gz WZGLUJOIZFUTJF-UHFFFAOYSA-N 0 0 199.637 1.754 10 0 ADAERN N/C=C/C=C/c1cccc(N)n1 238549716 573872567 /nfs/dbraw/zinc/87/25/67/573872567.db2.gz JPBCTLPVXFZVNZ-BQJQTIKASA-N 0 0 161.208 1.149 10 0 ADAERN CCCC(=O)CN(CC)[C@H]1CCOC1 308459487 573872568 /nfs/dbraw/zinc/87/25/68/573872568.db2.gz CTWDPVXNWIEZDV-JTQLQIEISA-N 0 0 199.294 1.466 10 0 ADAERN C=C=C(C)[C@H]1CCCC(=O)N1 238163692 573872599 /nfs/dbraw/zinc/87/25/99/573872599.db2.gz HBYYWXSQHBJBFO-MRVPVSSYSA-N 0 0 151.209 1.386 10 0 ADAERN CC(O)=C1CCCSC1=O 238164506 573872641 /nfs/dbraw/zinc/87/26/41/573872641.db2.gz SODLWOAYEVXVMZ-LURJTMIESA-N 0 0 158.222 1.245 10 0 ADAERN Cc1cccc2c1C(=O)C2 238550186 573872654 /nfs/dbraw/zinc/87/26/54/573872654.db2.gz BBZRWBMRRQDZMW-UHFFFAOYSA-N 0 0 132.162 1.734 10 0 ADAERN Cc1cscc1-c1noc(CO)n1 87289148 573872659 /nfs/dbraw/zinc/87/26/59/573872659.db2.gz XNAPWAIXCWNYNZ-UHFFFAOYSA-N 0 0 196.231 1.599 10 0 ADAERN CC(C)[C@@H]1NC(=O)C(C)(C)S1 238164688 573872662 /nfs/dbraw/zinc/87/26/62/573872662.db2.gz GBABXCCNXHWAET-ZCFIWIBFSA-N 0 0 173.281 1.610 10 0 ADAERN CC(C)[C@@H]1O[C@H](C)CC1=O 238172505 573872694 /nfs/dbraw/zinc/87/26/94/573872694.db2.gz ZTRJNBWYAAXTRP-SVRRBLITSA-N 0 0 142.198 1.389 10 0 ADAERN Cc1cc(N)n([C@@H](C)c2ccoc2)n1 87290547 573872702 /nfs/dbraw/zinc/87/27/02/573872702.db2.gz JTIRJLCVQKYSDR-QMMMGPOBSA-N 0 0 191.234 1.976 10 0 ADAERN C[C@H](O)[C@H]1CNc2cccc(O)c21 258168631 573872717 /nfs/dbraw/zinc/87/27/17/573872717.db2.gz RYLHVFBKTCJCIJ-NKWVEPMBSA-N 0 0 179.219 1.282 10 0 ADAERN COC(=O)/C=C\N1CCC[C@H](C)[C@H]1C 211629359 573872723 /nfs/dbraw/zinc/87/27/23/573872723.db2.gz FISIJUJSHKVEIS-BWAOMENWSA-N 0 0 197.278 1.794 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](C(=O)[O-])CC1(C)C 259216630 573872760 /nfs/dbraw/zinc/87/27/60/573872760.db2.gz CVFJNLMQUBDZTB-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN O=C1CCNC(=O)c2c(F)cccc21 238550401 573872761 /nfs/dbraw/zinc/87/27/61/573872761.db2.gz MLKJIXIEXJVNDZ-UHFFFAOYSA-N 0 0 193.177 1.142 10 0 ADAERN CC(C)[C@@H]1CO[C@H](c2ccoc2)C[NH2+]1 87290851 573872767 /nfs/dbraw/zinc/87/27/67/573872767.db2.gz WJFCNLRXGPCEHG-QWRGUYRKSA-N 0 0 195.262 1.965 10 0 ADAERN CC(C)[C@H]1CO[C@@H](c2ccoc2)C[NH2+]1 87290854 573872789 /nfs/dbraw/zinc/87/27/89/573872789.db2.gz WJFCNLRXGPCEHG-GHMZBOCLSA-N 0 0 195.262 1.965 10 0 ADAERN CC(O)=C1C(=O)OC[C@@H]1C(C)C 238165239 573872805 /nfs/dbraw/zinc/87/28/05/573872805.db2.gz PEBPNNABPWRPRC-SFYZADRCSA-N 0 0 170.208 1.021 10 0 ADAERN CC(C)C[C@H]([NH3+])C1(C(=O)[O-])CCC1 259624569 573872817 /nfs/dbraw/zinc/87/28/17/573872817.db2.gz YBVWKDGCGFZFKW-QMMMGPOBSA-N 0 0 185.267 1.615 10 0 ADAERN Fc1cnc2c(c1)NCCOC2 238550226 573872823 /nfs/dbraw/zinc/87/28/23/573872823.db2.gz QHXCGIYWPJTSCD-UHFFFAOYSA-N 0 0 168.171 1.163 10 0 ADAERN CCC[C@H](O)[C@@H]1C[C@H]1OCC 689893853 573872844 /nfs/dbraw/zinc/87/28/44/573872844.db2.gz QUSHFCICMULCRJ-XHNCKOQMSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@@H](CO)C(=O)c1cc[nH]c1 259215059 573872846 /nfs/dbraw/zinc/87/28/46/573872846.db2.gz SYPKMYLHBKCEBK-ZETCQYMHSA-N 0 0 167.208 1.216 10 0 ADAERN CC(C)[C@H]1COC(=O)[C@@H](C(C)(C)C)N1 238165066 573872858 /nfs/dbraw/zinc/87/28/58/573872858.db2.gz FJHQCLMQEPMFLJ-BDAKNGLRSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1cscc1-c1noc(C=O)n1 87289141 573872867 /nfs/dbraw/zinc/87/28/67/573872867.db2.gz FGBPFQHFQSANMX-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN Cc1cc(F)ncc1[C@H]1CNC(=O)C1 238540920 573872882 /nfs/dbraw/zinc/87/28/82/573872882.db2.gz MIUZOMIWHBCXPM-SSDOTTSWSA-N 0 0 194.209 1.133 10 0 ADAERN COC[C@H](C)N(C)C(=O)C1=CCC1 393567347 573872889 /nfs/dbraw/zinc/87/28/89/573872889.db2.gz NRQCIGGTMSNJJV-QMMMGPOBSA-N 0 0 183.251 1.200 10 0 ADAERN C[NH2+]Cc1cc(-c2ccoc2)n[nH]1 87290955 573872890 /nfs/dbraw/zinc/87/28/90/573872890.db2.gz RUOXETVXIMIPKX-UHFFFAOYSA-N 0 0 177.207 1.389 10 0 ADAERN C[C@H]([NH2+]C1CC(O)C1)c1ccoc1 87290459 573872927 /nfs/dbraw/zinc/87/29/27/573872927.db2.gz NMIWEPPOZPZCGV-WFRXLMHJSA-N 0 0 181.235 1.454 10 0 ADAERN Cc1nc(N)ccc1[C@@H]1CCCC1=O 238550803 573872930 /nfs/dbraw/zinc/87/29/30/573872930.db2.gz HYJTZRNBDYBDKS-VIFPVBQESA-N 0 0 190.246 1.809 10 0 ADAERN O=C1C[C@@H](c2ccnc(Cl)c2)CN1 238550639 573872955 /nfs/dbraw/zinc/87/29/55/573872955.db2.gz MZJUHNQSDPQYIJ-SSDOTTSWSA-N 0 0 196.637 1.339 10 0 ADAERN Cn1ccc([C@@H]([NH3+])C(C)(C)C(=O)[O-])c1 238550152 573872974 /nfs/dbraw/zinc/87/29/74/573872974.db2.gz SCBHKGCHDRDDMR-MRVPVSSYSA-N 0 0 196.250 1.136 10 0 ADAERN CC1=N[C@@H](C(C)(C)C)N=C1C=O 238172568 573872975 /nfs/dbraw/zinc/87/29/75/573872975.db2.gz PJXWINIHXPLJEH-MRVPVSSYSA-N 0 0 166.224 1.473 10 0 ADAERN Cc1csc2cnc(N)nc12 238555619 573873030 /nfs/dbraw/zinc/87/30/30/573873030.db2.gz IAMPLNMDESLBTK-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN C[C@H]([NH3+])c1nc(-c2ccoc2)c[nH]1 87290863 573873035 /nfs/dbraw/zinc/87/30/35/573873035.db2.gz KNRVGZOJWJKWQE-LURJTMIESA-N 0 0 177.207 1.689 10 0 ADAERN O=C1OCNc2c(F)cccc21 238550585 573873048 /nfs/dbraw/zinc/87/30/48/573873048.db2.gz GUIVLXHQBHWEND-UHFFFAOYSA-N 0 0 167.139 1.366 10 0 ADAERN Cc1c[nH]c(OC(C)C)n1 238164389 573873054 /nfs/dbraw/zinc/87/30/54/573873054.db2.gz RAICCXKNKCWVDA-UHFFFAOYSA-N 0 0 140.186 1.505 10 0 ADAERN CC(C)[C@@H]1C[C@](C)(O)C(=S)N1 238163237 573873069 /nfs/dbraw/zinc/87/30/69/573873069.db2.gz XRGBRCPYJGJAJY-XPUUQOCRSA-N 0 0 173.281 1.083 10 0 ADAERN CC(C)[C@@H]([NH3+])NC(=O)C(C)(C)C 238163384 573874658 /nfs/dbraw/zinc/87/46/58/573874658.db2.gz ZQNWKEZSRWEWJG-ZETCQYMHSA-N 0 0 172.272 1.090 10 0 ADAERN C[C@]1(C(N)=O)C[C@H]1c1ccccc1 80021848 573874684 /nfs/dbraw/zinc/87/46/84/573874684.db2.gz NDFFYUFJJVYUQP-ONGXEEELSA-N 0 0 175.231 1.666 10 0 ADAERN CC(=O)Cc1nccc(C2CCC2)n1 259216766 573873794 /nfs/dbraw/zinc/87/37/94/573873794.db2.gz XRLAFUKLOUSNDG-UHFFFAOYSA-N 0 0 190.246 1.876 10 0 ADAERN Cc1cn(C)c(OC(C)C)n1 238164531 573873802 /nfs/dbraw/zinc/87/38/02/573873802.db2.gz DUPWCZZJKJWQAI-UHFFFAOYSA-N 0 0 154.213 1.516 10 0 ADAERN CC(C)Nc1nc(=N)ss1 238165214 573873806 /nfs/dbraw/zinc/87/38/06/573873806.db2.gz PZVHGUIGRIPOPL-UHFFFAOYSA-N 0 0 175.282 1.504 10 0 ADAERN C/C=C(\CC)C(=O)N[C@H](C)[C@H](C)O 393567089 573873840 /nfs/dbraw/zinc/87/38/40/573873840.db2.gz VGLXNSGHXBSQRK-JGIWROLQSA-N 0 0 185.267 1.228 10 0 ADAERN C[C@@]1(c2ccccn2)CNC(=O)O1 258441370 573873841 /nfs/dbraw/zinc/87/38/41/573873841.db2.gz PBOVPXUOOOHPKM-VIFPVBQESA-N 0 0 178.191 1.037 10 0 ADAERN O=Cc1ccc(NO)cc1 80020327 573873844 /nfs/dbraw/zinc/87/38/44/573873844.db2.gz ICODFSSQTITYTI-UHFFFAOYSA-N 0 0 137.138 1.300 10 0 ADAERN C[NH2+]Cc1nc(-c2ccoc2)c[nH]1 87290881 573873906 /nfs/dbraw/zinc/87/39/06/573873906.db2.gz XQTZJKXNFBXIBO-UHFFFAOYSA-N 0 0 177.207 1.389 10 0 ADAERN CCOP(=O)(C=O)OCC 80021724 573873921 /nfs/dbraw/zinc/87/39/21/573873921.db2.gz ROOOFIGWSLRHSP-UHFFFAOYSA-N 0 0 166.113 1.443 10 0 ADAERN Cc1cscc1-c1ncnc(N)n1 87289174 573873923 /nfs/dbraw/zinc/87/39/23/573873923.db2.gz WXCJQLVGZSGCPC-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@H]1C[NH2+]C[C@H](c2ccoc2)O1 87290804 573873980 /nfs/dbraw/zinc/87/39/80/573873980.db2.gz UXQFWSKQXKNAGA-IONNQARKSA-N 0 0 167.208 1.329 10 0 ADAERN O=CNCC12CC3CC(CC(C3)C1)C2 80020340 573873989 /nfs/dbraw/zinc/87/39/89/573873989.db2.gz VDHJXCGLVJLMSH-UHFFFAOYSA-N 0 0 193.290 1.949 10 0 ADAERN CCc1nc2cc(Cl)ccn2n1 257895184 573873994 /nfs/dbraw/zinc/87/39/94/573873994.db2.gz FEYLDFUMFDMHRE-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN CC1(c2oc(=O)[nH]c2N)CCC1 686129270 573874010 /nfs/dbraw/zinc/87/40/10/573874010.db2.gz SOKVMWZPBGOHFJ-RXMQYKEDSA-N 0 0 168.196 1.262 10 0 ADAERN COC(=O)[C@@]1(c2ccc[nH]2)C[C@H]1C 258976414 573874050 /nfs/dbraw/zinc/87/40/50/573874050.db2.gz IZPUDRFKLMMGNG-XCBNKYQSSA-N 0 0 179.219 1.465 10 0 ADAERN [NH3+]Cc1nc(-c2ccoc2)c[nH]1 87290862 573874056 /nfs/dbraw/zinc/87/40/56/573874056.db2.gz IYJATYSJEHSXHU-UHFFFAOYSA-N 0 0 163.180 1.128 10 0 ADAERN CCN(CC)c1ccnc(N(C)C)n1 308459889 573874058 /nfs/dbraw/zinc/87/40/58/573874058.db2.gz FEQKZJZNOMOIAX-UHFFFAOYSA-N 0 0 194.282 1.389 10 0 ADAERN Nc1ncc([C@]2(O)C=CCCC2)s1 165922012 573874071 /nfs/dbraw/zinc/87/40/71/573874071.db2.gz NGGAHHSNWHGNKA-VIFPVBQESA-N 0 0 196.275 1.653 10 0 ADAERN Cc1cc(C)c(N(C)CO)cc1C 258975974 573874076 /nfs/dbraw/zinc/87/40/76/573874076.db2.gz VSHNTASXOFELQX-UHFFFAOYSA-N 0 0 179.263 1.998 10 0 ADAERN Cc1cscc1-c1nc(CO)c[nH]1 87289117 573874080 /nfs/dbraw/zinc/87/40/80/573874080.db2.gz GOQGRUHDSKOHBM-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN COC(=O)[C@@]1(C2CCOCC2)C[C@H]1C 258979902 573874145 /nfs/dbraw/zinc/87/41/45/573874145.db2.gz JKGOMBVEJSARMQ-KCJUWKMLSA-N 0 0 198.262 1.612 10 0 ADAERN CC(C)C[C@H]1C(=O)N[C@@H](C)[C@@H]1C 238163513 573874164 /nfs/dbraw/zinc/87/41/64/573874164.db2.gz QANQEIZKEUIXCC-XHNCKOQMSA-N 0 0 169.268 1.803 10 0 ADAERN O[C@H]1CC[C@@H]2CC[C@@H]2C1 76571408 573874181 /nfs/dbraw/zinc/87/41/81/573874181.db2.gz WKNYPGYKMKZIEY-RNJXMRFFSA-N 0 0 126.199 1.557 10 0 ADAERN Fc1nc(Cl)c2[nH]ccc2n1 238552362 573874216 /nfs/dbraw/zinc/87/42/16/573874216.db2.gz SSXFKGNXFMHPEG-UHFFFAOYSA-N 0 0 171.562 1.750 10 0 ADAERN CC(C)CC[C@H]1CC[C@H](C(=O)[O-])[NH2+]1 125342982 573874222 /nfs/dbraw/zinc/87/42/22/573874222.db2.gz PXYFKYOWVBLLKX-DTWKUNHWSA-N 0 0 185.267 1.628 10 0 ADAERN CC[N@H+](C)C[C@H](C(=O)[O-])C(C)C 258976294 573874263 /nfs/dbraw/zinc/87/42/63/573874263.db2.gz LVEWMQOCSJTNOR-QMMMGPOBSA-N 0 0 173.256 1.295 10 0 ADAERN CC(C)[C@@H]1NC(=O)CCC1(C)C 238164911 573874272 /nfs/dbraw/zinc/87/42/72/573874272.db2.gz XHHPNHCIYABPNH-VIFPVBQESA-N 0 0 169.268 1.947 10 0 ADAERN CC(C)[C@@H]1N=C(N)OC1(C)C 238164503 573874279 /nfs/dbraw/zinc/87/42/79/573874279.db2.gz JSKNUNLMQQBQQP-LURJTMIESA-N 0 0 156.229 1.135 10 0 ADAERN CC(=O)[C@H]1CNc2cccc(F)c21 258168857 573874288 /nfs/dbraw/zinc/87/42/88/573874288.db2.gz SAPKMZUJZBWAPE-SSDOTTSWSA-N 0 0 179.194 1.924 10 0 ADAERN O[C@H]1CCCn2nc(C3CCC3)nc21 258169123 573874347 /nfs/dbraw/zinc/87/43/47/573874347.db2.gz DVUNOQPMXKJONQ-QMMMGPOBSA-N 0 0 193.250 1.373 10 0 ADAERN C[C@]([NH3+])(C(=O)[O-])c1ccsc1 101544813 573874351 /nfs/dbraw/zinc/87/43/51/573874351.db2.gz ONTACQLSDXBILH-SSDOTTSWSA-N 0 0 171.221 1.007 10 0 ADAERN CC(=O)[C@@]1(C)O[C@H]1CC(C)C 238163285 573874388 /nfs/dbraw/zinc/87/43/88/573874388.db2.gz VERRHZKNOULORZ-DTWKUNHWSA-N 0 0 156.225 1.779 10 0 ADAERN Nc1ccc(OCCC2CC2)cn1 393566884 573874389 /nfs/dbraw/zinc/87/43/89/573874389.db2.gz DEBOIMUSHDGGGR-UHFFFAOYSA-N 0 0 178.235 1.673 10 0 ADAERN CC(=O)[C@@H]1CCCC[C@H]1CO 238164188 573874395 /nfs/dbraw/zinc/87/43/95/573874395.db2.gz SZVDLTVFTVDZFM-IUCAKERBSA-N 0 0 156.225 1.374 10 0 ADAERN CC[C@H]([NH2+]C)[C@H](C)CC(=O)[O-] 259215029 573874398 /nfs/dbraw/zinc/87/43/98/573874398.db2.gz FXALQHFWUKUVMX-RQJHMYQMSA-N 0 0 159.229 1.095 10 0 ADAERN Cn1ccc2c(N)nc(Cl)nc21 238551073 573874423 /nfs/dbraw/zinc/87/44/23/573874423.db2.gz UYJOOZSFYKUKDC-UHFFFAOYSA-N 0 0 182.614 1.204 10 0 ADAERN Cc1cc(C)c(C)c([C@H](N)NN)c1C 259216636 573874476 /nfs/dbraw/zinc/87/44/76/573874476.db2.gz DZOXMCFJIVWWQN-LLVKDONJSA-N 0 0 193.294 1.341 10 0 ADAERN CC(C)[C@H]1C=C[C@H](C(C)C)NC(=O)N1 238165384 573874495 /nfs/dbraw/zinc/87/44/95/573874495.db2.gz YLEBJUAYQFMINW-NXEZZACHSA-N 0 0 196.294 1.905 10 0 ADAERN CC[C@H]([NH2+]C)[C@@H](C)CC(=O)[O-] 259215024 573874542 /nfs/dbraw/zinc/87/45/42/573874542.db2.gz FXALQHFWUKUVMX-BQBZGAKWSA-N 0 0 159.229 1.095 10 0 ADAERN Cc1nc2c(o1)[C@@H](C(C)C)C[NH2+]C2 238163451 573874565 /nfs/dbraw/zinc/87/45/65/573874565.db2.gz BHXKBIVGWFWBKY-MRVPVSSYSA-N 0 0 180.251 1.826 10 0 ADAERN CC1=C(C)[C@H](C(C)C)NC1=O 238164730 573874572 /nfs/dbraw/zinc/87/45/72/573874572.db2.gz ICDCIGYFWLTAEH-QMMMGPOBSA-N 0 0 153.225 1.477 10 0 ADAERN NCc1nc(C2CCC2)co1 258441020 573874581 /nfs/dbraw/zinc/87/45/81/573874581.db2.gz FBSXMYDUMMRWEW-UHFFFAOYSA-N 0 0 152.197 1.401 10 0 ADAERN OCc1ccc2c(ccc3nncn32)c1 258170058 573874582 /nfs/dbraw/zinc/87/45/82/573874582.db2.gz UHXREFGPNCBBNC-UHFFFAOYSA-N 0 0 199.213 1.375 10 0 ADAERN Cc1cc2ccsc2c(=O)[nH]1 125352755 573874630 /nfs/dbraw/zinc/87/46/30/573874630.db2.gz SASMGHMZYJZKIB-UHFFFAOYSA-N 0 0 165.217 1.898 10 0 ADAERN CC(C)C[C@@]1(C(=O)[O-])C=CC[NH2+]1 238164347 573874635 /nfs/dbraw/zinc/87/46/35/573874635.db2.gz YHXVCVBKOONWKX-SECBINFHSA-N 0 0 169.224 1.015 10 0 ADAERN CC(C)(C)[C@@]1(C)CC(=O)N1 238164974 573874636 /nfs/dbraw/zinc/87/46/36/573874636.db2.gz GUGMOBZHBSNHLI-MRVPVSSYSA-N 0 0 141.214 1.311 10 0 ADAERN CC(C)Nc1cncc(O)c1 238165113 573874640 /nfs/dbraw/zinc/87/46/40/573874640.db2.gz DKKKGHHWTFULHM-UHFFFAOYSA-N 0 0 152.197 1.608 10 0 ADAERN CCCCN(C)c1cncc(=O)[nH]1 308455423 573874643 /nfs/dbraw/zinc/87/46/43/573874643.db2.gz FWFQJAPZKYZOKH-UHFFFAOYSA-N 0 0 181.239 1.419 10 0 ADAERN CCc1nc(N)cc2ncn(C)c12 257895727 573874654 /nfs/dbraw/zinc/87/46/54/573874654.db2.gz OCBQTIVXYOSPGX-UHFFFAOYSA-N 0 0 176.223 1.113 10 0 ADAERN CC/C=C/C(=O)O[C@H](C)C(=O)CC 308460090 573875669 /nfs/dbraw/zinc/87/56/69/573875669.db2.gz HBULFJYYTJCQIK-HYDMIIDASA-N 0 0 184.235 1.863 10 0 ADAERN C=C=C(C)[C@@H]1OC(C)(C)[C@@H]2C(=O)N[C@H]12 238163438 573875677 /nfs/dbraw/zinc/87/56/77/573875677.db2.gz ZOUPOLDKYJIZFP-CIUDSAMLSA-N 0 0 193.246 1.010 10 0 ADAERN CCC[C@@]1(C)OC[C@@H](CCO)O1 258442007 573875692 /nfs/dbraw/zinc/87/56/92/573875692.db2.gz CQCARMLTSQWWEA-BDAKNGLRSA-N 0 0 174.240 1.301 10 0 ADAERN CN(CCCF)c1ccc(C=O)cn1 716820259 573875704 /nfs/dbraw/zinc/87/57/04/573875704.db2.gz SHMKUEZDOWMQOH-UHFFFAOYSA-N 0 0 196.225 1.690 10 0 ADAERN C[C@@]1(c2ccoc2)CNC(=O)C1 87307970 573874823 /nfs/dbraw/zinc/87/48/23/573874823.db2.gz MOKAETKANZQXTI-VIFPVBQESA-N 0 0 165.192 1.057 10 0 ADAERN CC(=O)[C@@H]1CCC[C@@H]1C[C@@H]1CO1 238164863 573874845 /nfs/dbraw/zinc/87/48/45/573874845.db2.gz JYZORVVVEGPTIZ-BBBLOLIVSA-N 0 0 168.236 1.781 10 0 ADAERN Cc1cn(-c2ncccc2N)cn1 238552212 573874858 /nfs/dbraw/zinc/87/48/58/573874858.db2.gz JWRMMGRILYNHTB-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN COc1ccc([C@@H](NN)C2CC2)cn1 308460511 573874863 /nfs/dbraw/zinc/87/48/63/573874863.db2.gz DCNVPURTQNQDSA-JTQLQIEISA-N 0 0 193.250 1.005 10 0 ADAERN CC(=O)c1ccc([C@H](C)CO)cc1 80028407 573874884 /nfs/dbraw/zinc/87/48/84/573874884.db2.gz QEBNVOQZXGSKNJ-MRVPVSSYSA-N 0 0 178.231 1.985 10 0 ADAERN CC(C)(C)[C@@](C)(CO)CCO 238163539 573874913 /nfs/dbraw/zinc/87/49/13/573874913.db2.gz GBJIMZHMVFUZDR-SECBINFHSA-N 0 0 160.257 1.414 10 0 ADAERN C[N@@H+]1C[C@H](C(C)(C)C)C[C@@H]1C(=O)[O-] 257895784 573874915 /nfs/dbraw/zinc/87/49/15/573874915.db2.gz OCYCCTWKRQBYCM-HTQZYQBOSA-N 0 0 185.267 1.437 10 0 ADAERN Cc1cc([C@H](O)C(C)(C)O)ccc1F 235757385 573875736 /nfs/dbraw/zinc/87/57/36/573875736.db2.gz ZKMBOTIDVVCWIO-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN C[C@H]1CCCn2cc(CCCO)nc21 258441376 573874947 /nfs/dbraw/zinc/87/49/47/573874947.db2.gz PBOXSYIRVUVYIR-VIFPVBQESA-N 0 0 194.278 1.705 10 0 ADAERN CC(=C/CO)/C=C/[C@H]1OC1(C)C 238165321 573874960 /nfs/dbraw/zinc/87/49/60/573874960.db2.gz RQMREQMEAUWPPP-UXONWFPBSA-N 0 0 168.236 1.659 10 0 ADAERN CC(=O)c1c(N)c2c([nH]c1=O)CCC2 238164179 573874968 /nfs/dbraw/zinc/87/49/68/573874968.db2.gz UKOHECLLSRXQNI-UHFFFAOYSA-N 0 0 192.218 1.061 10 0 ADAERN CC(=C=C[C@H](O)CO)C(C)(C)C 238164518 573874989 /nfs/dbraw/zinc/87/49/89/573874989.db2.gz BUFDACSNVCPHCR-YQFNKJDISA-N 0 0 170.252 1.487 10 0 ADAERN C[C@@H](CO)c1cnc([C@H]2CCCO2)o1 257895183 573875001 /nfs/dbraw/zinc/87/50/01/573875001.db2.gz BKCAMKWXHIOMOA-JGVFFNPUSA-N 0 0 197.234 1.622 10 0 ADAERN O=C1CNc2cccc(O)c2S1 258441704 573875010 /nfs/dbraw/zinc/87/50/10/573875010.db2.gz GPDQXAFVRXIULN-UHFFFAOYSA-N 0 0 181.216 1.436 10 0 ADAERN CC(C)(C)[C@]1(C)CCC(=O)N1 222393581 573875034 /nfs/dbraw/zinc/87/50/34/573875034.db2.gz XAYDSTOALPIENL-VIFPVBQESA-N 0 0 155.241 1.701 10 0 ADAERN CN1CCC(=O)N(C2CCCC2)C1=O 87312790 573875038 /nfs/dbraw/zinc/87/50/38/573875038.db2.gz QUILYPLPSUYDDY-UHFFFAOYSA-N 0 0 196.250 1.213 10 0 ADAERN C[C@@]1(C(N)=O)C[C@@H]1c1ccccc1 80021847 573875044 /nfs/dbraw/zinc/87/50/44/573875044.db2.gz NDFFYUFJJVYUQP-MWLCHTKSSA-N 0 0 175.231 1.666 10 0 ADAERN c1ccc(CNN2CCOCC2)cc1 101477700 573875054 /nfs/dbraw/zinc/87/50/54/573875054.db2.gz KXKOMUZNTIPIHQ-UHFFFAOYSA-N 0 0 192.262 1.023 10 0 ADAERN CCCC(=O)OC1CN(CCC)C1 308460289 573875056 /nfs/dbraw/zinc/87/50/56/573875056.db2.gz HDMKZJBIQHUXMQ-UHFFFAOYSA-N 0 0 185.267 1.424 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)NC1CCCC1 87312535 573875067 /nfs/dbraw/zinc/87/50/67/573875067.db2.gz NFIHTDHAUZAHRE-SSDOTTSWSA-N 0 0 198.266 1.206 10 0 ADAERN CCC[C@H](O)[C@H]1C[C@H]1OCC 689893839 573875076 /nfs/dbraw/zinc/87/50/76/573875076.db2.gz QUSHFCICMULCRJ-HRDYMLBCSA-N 0 0 158.241 1.572 10 0 ADAERN O=[S@@]1CCCN[C@H](c2ccoc2)C1 87307729 573875084 /nfs/dbraw/zinc/87/50/84/573875084.db2.gz DWEKQKAIKNVZRV-ZANVPECISA-N 0 0 199.275 1.063 10 0 ADAERN NC(=O)C[C@@H]1C=C(Cl)CCC1 238555905 573875092 /nfs/dbraw/zinc/87/50/92/573875092.db2.gz YWHOPTTWZWWFEC-LURJTMIESA-N 0 0 173.643 1.785 10 0 ADAERN Cc1cscc1CN1CCC(=O)C1 87310855 573875100 /nfs/dbraw/zinc/87/51/00/573875100.db2.gz RUOMUWYRNURHRZ-UHFFFAOYSA-N 0 0 195.287 1.831 10 0 ADAERN CCO[C@H]1C[C@@H](OC(=O)C(F)F)C1 393566639 573875130 /nfs/dbraw/zinc/87/51/30/573875130.db2.gz UULJLVXOKHKVKA-OLQVQODUSA-N 0 0 194.177 1.362 10 0 ADAERN C/C=C(C)/C=C\CCO 215319645 573875132 /nfs/dbraw/zinc/87/51/32/573875132.db2.gz HFEMKCDBEJZPCG-MROOEUIUSA-N 0 0 126.199 1.891 10 0 ADAERN Cc1cn(-c2cccnc2N)cn1 238551817 573875136 /nfs/dbraw/zinc/87/51/36/573875136.db2.gz SEIISIHUYJNTNX-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN COC(=O)[C@@]1(C2CCOCC2)C[C@@H]1C 258979903 573875175 /nfs/dbraw/zinc/87/51/75/573875175.db2.gz JKGOMBVEJSARMQ-KWQFWETISA-N 0 0 198.262 1.612 10 0 ADAERN C[C@H](CO)c1cnc([C@H]2CCCO2)o1 257895181 573875176 /nfs/dbraw/zinc/87/51/76/573875176.db2.gz BKCAMKWXHIOMOA-HTQZYQBOSA-N 0 0 197.234 1.622 10 0 ADAERN Cc1ccc(C[C@H](C)ON)cc1 259575837 573875192 /nfs/dbraw/zinc/87/51/92/573875192.db2.gz YFNXPYKHSLSMLZ-VIFPVBQESA-N 0 0 165.236 1.816 10 0 ADAERN C/C=C\C[C@]1(C(=O)[O-])CCC[NH2+]C1 211749799 573875207 /nfs/dbraw/zinc/87/52/07/573875207.db2.gz UFWAIMARDCXRJO-ZMWSMAPVSA-N 0 0 183.251 1.407 10 0 ADAERN OCNc1coc2ccccc12 258975995 573875214 /nfs/dbraw/zinc/87/52/14/573875214.db2.gz VTGIIHYJWTVLAR-UHFFFAOYSA-N 0 0 163.176 1.795 10 0 ADAERN CCC(C)(C)CNCC(F)(F)CO 393567363 573875220 /nfs/dbraw/zinc/87/52/20/573875220.db2.gz NTCPCQFGRQGYIW-UHFFFAOYSA-N 0 0 195.253 1.640 10 0 ADAERN CC(C)c1ccnn1C[C@H](C)O 238172666 573875231 /nfs/dbraw/zinc/87/52/31/573875231.db2.gz ZQHVDSAGPHZDES-QMMMGPOBSA-N 0 0 168.240 1.387 10 0 ADAERN C[C@]1(c2ccoc2)CC(=O)CCO1 87307669 573875236 /nfs/dbraw/zinc/87/52/36/573875236.db2.gz WESRVXRGCJPTGF-SNVBAGLBSA-N 0 0 180.203 1.874 10 0 ADAERN CCc1ncc2c(OC)cccn12 258169121 573875264 /nfs/dbraw/zinc/87/52/64/573875264.db2.gz ILLCECOGTQKVIL-UHFFFAOYSA-N 0 0 176.219 1.905 10 0 ADAERN CCC(CC)CNC(=O)C1COC1 308460415 573875282 /nfs/dbraw/zinc/87/52/82/573875282.db2.gz HHTDEDHKZWWVKA-UHFFFAOYSA-N 0 0 185.267 1.185 10 0 ADAERN CC(C)c1nc(-c2cnccn2)c[nH]1 238163279 573875296 /nfs/dbraw/zinc/87/52/96/573875296.db2.gz BTHHJTLCNKIUNJ-UHFFFAOYSA-N 0 0 188.234 1.990 10 0 ADAERN C/C=C(/CC)C(=O)N[C@H](C)[C@H](C)O 393567095 573875298 /nfs/dbraw/zinc/87/52/98/573875298.db2.gz VGLXNSGHXBSQRK-XGLHQDMESA-N 0 0 185.267 1.228 10 0 ADAERN CC(C)(C)[C@@](C)(O)/C(Cl)=C/CO 238163959 573875305 /nfs/dbraw/zinc/87/53/05/573875305.db2.gz PCMZOZJPDRCQKM-PGBBXKAQSA-N 0 0 192.686 1.899 10 0 ADAERN Cc1[nH+]c(N)ccc1[C@H]1CCC(=O)C1 238551400 573875339 /nfs/dbraw/zinc/87/53/39/573875339.db2.gz SYNZVECIEWGOMO-QMMMGPOBSA-N 0 0 190.246 1.809 10 0 ADAERN Nc1cnc(NC2CCC2)o1 257895607 573875376 /nfs/dbraw/zinc/87/53/76/573875376.db2.gz NETKMAPGLYSTIH-UHFFFAOYSA-N 0 0 153.185 1.221 10 0 ADAERN Cc1ccc([C@]2(O)CCC(=O)N2)cc1 238551752 573875381 /nfs/dbraw/zinc/87/53/81/573875381.db2.gz MWOMIQDAAKCPMD-LLVKDONJSA-N 0 0 191.230 1.050 10 0 ADAERN O[C@H]1Cc2[nH]c3ccccc3c2C1 257895803 573875383 /nfs/dbraw/zinc/87/53/83/573875383.db2.gz ODCNEUGKNLVLRB-SSDOTTSWSA-N 0 0 173.215 1.627 10 0 ADAERN C[C@]1(c2ccccn2)CNC(=O)O1 258441367 573875425 /nfs/dbraw/zinc/87/54/25/573875425.db2.gz PBOVPXUOOOHPKM-SECBINFHSA-N 0 0 178.191 1.037 10 0 ADAERN CC1(C)C[C@@]1(CO)c1ccncc1 258977658 573875434 /nfs/dbraw/zinc/87/54/34/573875434.db2.gz JANGNFNDOMYJBM-LLVKDONJSA-N 0 0 177.247 1.742 10 0 ADAERN CC(C)=C[C@@H]1C[C@H]1CO 238164792 573875445 /nfs/dbraw/zinc/87/54/45/573875445.db2.gz NCQVFTGQCZGIGL-SFYZADRCSA-N 0 0 126.199 1.581 10 0 ADAERN CC(=O)[C@@H]1CCCC[C@@H]1CO 238163862 573875452 /nfs/dbraw/zinc/87/54/52/573875452.db2.gz SZVDLTVFTVDZFM-BDAKNGLRSA-N 0 0 156.225 1.374 10 0 ADAERN CCC[C@H](O)[C@@H]1C[C@@H]1OCC 689893821 573875467 /nfs/dbraw/zinc/87/54/67/573875467.db2.gz QUSHFCICMULCRJ-CIUDSAMLSA-N 0 0 158.241 1.572 10 0 ADAERN C[N@@H+]1C[C@H](C(C)(C)C)C[C@H]1C(=O)[O-] 257895789 573875471 /nfs/dbraw/zinc/87/54/71/573875471.db2.gz OCYCCTWKRQBYCM-SFYZADRCSA-N 0 0 185.267 1.437 10 0 ADAERN CC(C)=C[C@@H]1CC=C(CO)C(=O)O1 238164128 573875484 /nfs/dbraw/zinc/87/54/84/573875484.db2.gz OEPSCUYAPHDBAH-VIFPVBQESA-N 0 0 182.219 1.187 10 0 ADAERN CC(C)=C[C@]1(C)OC[C@H](CO)O1 238172575 573875494 /nfs/dbraw/zinc/87/54/94/573875494.db2.gz NSQUNUNJEMZGBE-DTWKUNHWSA-N 0 0 172.224 1.077 10 0 ADAERN CC(C)(C)[C@@](O)(CO)c1ccccc1 238164776 573875504 /nfs/dbraw/zinc/87/55/04/573875504.db2.gz AXSNDMIEMHTOIJ-GFCCVEGCSA-N 0 0 194.274 1.913 10 0 ADAERN CC[N@@H+]1CCC[C@@H](c2cc(N)no2)C1 259217032 573875516 /nfs/dbraw/zinc/87/55/16/573875516.db2.gz LPTRJCZMZDVIGF-MRVPVSSYSA-N 0 0 195.266 1.456 10 0 ADAERN C[C@]1(c2ccoc2)C[C@@H](O)CCO1 87307667 573875530 /nfs/dbraw/zinc/87/55/30/573875530.db2.gz YMYROLKKOMCIMR-VHSXEESVSA-N 0 0 182.219 1.666 10 0 ADAERN CC(C)c1ccnn1C[C@@H](C)O 238172645 573875548 /nfs/dbraw/zinc/87/55/48/573875548.db2.gz ZQHVDSAGPHZDES-MRVPVSSYSA-N 0 0 168.240 1.387 10 0 ADAERN CC(C)(C)[C@@]1(C)C[C@@H](O)CCO1 238165163 573875556 /nfs/dbraw/zinc/87/55/56/573875556.db2.gz NBQYMRCOPRTBER-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)Nc1cnco1 76571387 573875586 /nfs/dbraw/zinc/87/55/86/573875586.db2.gz YYGQJSGBYANTQH-UHFFFAOYSA-N 0 0 126.159 1.495 10 0 ADAERN CC(=O)[C@@H]1CCC[C@@]1(C)C(C)=O 238164969 573875603 /nfs/dbraw/zinc/87/56/03/573875603.db2.gz KVYUWJIJCOLVQB-UWVGGRQHSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1ccc(C)c(CC2(O)COC2)c1 84352597 573875649 /nfs/dbraw/zinc/87/56/49/573875649.db2.gz ZJIMMEYFEQYIPE-UHFFFAOYSA-N 0 0 192.258 1.607 10 0 ADAERN C[C@@]1(c2ccoc2)C[C@H](O)CCO1 87307666 573877195 /nfs/dbraw/zinc/87/71/95/573877195.db2.gz YMYROLKKOMCIMR-ZJUUUORDSA-N 0 0 182.219 1.666 10 0 ADAERN COc1c(O)ccc([C@H](C)O)c1F 258171010 573877211 /nfs/dbraw/zinc/87/72/11/573877211.db2.gz VTNHEUJCPAYDPS-YFKPBYRVSA-N 0 0 186.182 1.593 10 0 ADAERN CN(CC[S@](C)=O)c1ccccc1 308460359 573877239 /nfs/dbraw/zinc/87/72/39/573877239.db2.gz HFSARGFDNUGTMA-ZDUSSCGKSA-N 0 0 197.303 1.501 10 0 ADAERN CN(CC[S@@](C)=O)c1ccccc1 308460356 573877247 /nfs/dbraw/zinc/87/72/47/573877247.db2.gz HFSARGFDNUGTMA-CYBMUJFWSA-N 0 0 197.303 1.501 10 0 ADAERN O=S(=O)(/C=C/Cl)C(F)(F)F 238552028 573877249 /nfs/dbraw/zinc/87/72/49/573877249.db2.gz SYZSLEXSRNRMAT-OWOJBTEDSA-N 0 0 194.561 1.631 10 0 ADAERN CC(C)[C@H]1CO[C@H](O)C1(F)F 238165698 573877250 /nfs/dbraw/zinc/87/72/50/573877250.db2.gz KOKDPQHTYGXWJE-RITPCOANSA-N 0 0 166.167 1.243 10 0 ADAERN O[C@H](Cc1cccc(F)c1)C(F)F 122973841 573877267 /nfs/dbraw/zinc/87/72/67/573877267.db2.gz CXJHJENZPMOCFJ-MRVPVSSYSA-N 0 0 190.164 1.994 10 0 ADAERN O=C1OCCc2cccc(F)c21 238551085 573877268 /nfs/dbraw/zinc/87/72/68/573877268.db2.gz YSBIDSQIIGYXCX-UHFFFAOYSA-N 0 0 166.151 1.539 10 0 ADAERN C[C@H]1CC(=O)N(C2CCCC2)C(=O)N1 87312666 573877295 /nfs/dbraw/zinc/87/72/95/573877295.db2.gz VJNQWHDGKQDNAQ-ZETCQYMHSA-N 0 0 196.250 1.259 10 0 ADAERN CC1(C)NC(=O)C[C@@]1(C)c1ccoc1 87307977 573877300 /nfs/dbraw/zinc/87/73/00/573877300.db2.gz OJHLGKTZECSZSC-NSHDSACASA-N 0 0 193.246 1.836 10 0 ADAERN CCC[C@@H](C)[C@H](O)c1ccncn1 233282341 573877305 /nfs/dbraw/zinc/87/73/05/573877305.db2.gz ACZMDIZIWAJNGZ-SCZZXKLOSA-N 0 0 180.251 1.946 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]2CCCCN2O1 238176124 573877308 /nfs/dbraw/zinc/87/73/08/573877308.db2.gz LCZMMAANLNXIGC-IUCAKERBSA-N 0 0 169.224 1.134 10 0 ADAERN CNOCCCc1ccc(O)cc1 257889805 573877309 /nfs/dbraw/zinc/87/73/09/573877309.db2.gz GNSZQTCUGYFFGF-UHFFFAOYSA-N 0 0 181.235 1.476 10 0 ADAERN CCC[NH+]1CCC(C)(CC(=O)[O-])CC1 259578857 573877339 /nfs/dbraw/zinc/87/73/39/573877339.db2.gz ZBXJEYKMHKHTMC-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC(C)(O)CC1=CCC[C@@H]1O 238176103 573877345 /nfs/dbraw/zinc/87/73/45/573877345.db2.gz NKKGNOUFRHIYGH-QMMMGPOBSA-N 0 0 156.225 1.229 10 0 ADAERN CC(=O)C[C@@H]1C(=O)Nc2ccccc21 101721082 573877350 /nfs/dbraw/zinc/87/73/50/573877350.db2.gz PLIHTLQTXUWOKR-VIFPVBQESA-N 0 0 189.214 1.701 10 0 ADAERN O[C@@H]1CCCCC[C@H]1c1ncc[nH]1 80163198 573877357 /nfs/dbraw/zinc/87/73/57/573877357.db2.gz CDYTZWUKBPTGMI-RKDXNWHRSA-N 0 0 180.251 1.818 10 0 ADAERN COC(=N)C1CCSCC1 402368913 573877378 /nfs/dbraw/zinc/87/73/78/573877378.db2.gz GECVVSZIUKZHEN-UHFFFAOYSA-N 0 0 159.254 1.753 10 0 ADAERN CCn1cc(NCc2cnco2)cn1 84413824 573877383 /nfs/dbraw/zinc/87/73/83/573877383.db2.gz JTQDYNLYZJOXCE-UHFFFAOYSA-N 0 0 192.222 1.503 10 0 ADAERN C[C@H]1CCC[C@@H](Nc2nnc(N)o2)C1 235661834 573877384 /nfs/dbraw/zinc/87/73/84/573877384.db2.gz VIWAMZMGZSKXMT-NKWVEPMBSA-N 0 0 196.254 1.642 10 0 ADAERN CCc1oc(CN)nc1CC(C)C 257895811 573877390 /nfs/dbraw/zinc/87/73/90/573877390.db2.gz ODHGWCSLWDCMDX-UHFFFAOYSA-N 0 0 182.267 1.894 10 0 ADAERN C[C@H](O)c1cc(F)c2c(c1)OCO2 258171083 573877398 /nfs/dbraw/zinc/87/73/98/573877398.db2.gz VUXXZXBAIISLIL-YFKPBYRVSA-N 0 0 184.166 1.608 10 0 ADAERN COc1ccc(F)cc1NCO 258982341 573877413 /nfs/dbraw/zinc/87/74/13/573877413.db2.gz WPXDUQGRYOEWCZ-UHFFFAOYSA-N 0 0 171.171 1.196 10 0 ADAERN COCCCc1cn2ccccc2n1 257895751 573877416 /nfs/dbraw/zinc/87/74/16/573877416.db2.gz HFJCYYYSILHMDW-UHFFFAOYSA-N 0 0 190.246 1.913 10 0 ADAERN CCC(CO)(CO)CCCCOC 131454856 573877452 /nfs/dbraw/zinc/87/74/52/573877452.db2.gz GVAPXWCBPIGHQQ-UHFFFAOYSA-N 0 0 190.283 1.184 10 0 ADAERN Cc1ccc2c(c1)C[C@H](CON)S2 257895509 573877460 /nfs/dbraw/zinc/87/74/60/573877460.db2.gz ABCRRTRYEUPTHN-SECBINFHSA-N 0 0 195.287 1.902 10 0 ADAERN CC(C)(NO)[C@H]1CCCC(=O)C1 238165584 573877478 /nfs/dbraw/zinc/87/74/78/573877478.db2.gz RYRKBGCWCBTNNR-ZETCQYMHSA-N 0 0 171.240 1.503 10 0 ADAERN Cc1ccsc1CNC(N)=S 87308724 573877493 /nfs/dbraw/zinc/87/74/93/573877493.db2.gz OTZKWDRNWXCGBU-UHFFFAOYSA-N 0 0 186.305 1.390 10 0 ADAERN CCC1(c2nnc(N)o2)CCCC1 87315938 573877497 /nfs/dbraw/zinc/87/74/97/573877497.db2.gz NJBWMKSUJHFMRQ-UHFFFAOYSA-N 0 0 181.239 1.874 10 0 ADAERN O[C@@H]1Cc2[nH]c3ccccc3c2C1 257895807 573877505 /nfs/dbraw/zinc/87/75/05/573877505.db2.gz ODCNEUGKNLVLRB-ZETCQYMHSA-N 0 0 173.215 1.627 10 0 ADAERN COc1ccc(CN(C)CO)cc1 258981805 573877509 /nfs/dbraw/zinc/87/75/09/573877509.db2.gz WKIOAKVXRWXRMG-UHFFFAOYSA-N 0 0 181.235 1.077 10 0 ADAERN O[C@H]1CCC[C@H](F)C1 76570946 573877514 /nfs/dbraw/zinc/87/75/14/573877514.db2.gz XVHYGZFXBBUDTA-WDSKDSINSA-N 0 0 118.151 1.259 10 0 ADAERN C[C@H](O)CC[C@H](C)[C@@H](C)O 80170524 573877520 /nfs/dbraw/zinc/87/75/20/573877520.db2.gz VWRMHWAYIOHUNG-BIIVOSGPSA-N 0 0 146.230 1.164 10 0 ADAERN C[NH2+][C@H]([C@@H](C)C(=O)[O-])C(C)(C)C 259217450 573877523 /nfs/dbraw/zinc/87/75/23/573877523.db2.gz FYLHZQKLEDBCST-RNFRBKRXSA-N 0 0 173.256 1.341 10 0 ADAERN Cc1n[nH]c(C)c1NCc1cnco1 84413833 573877537 /nfs/dbraw/zinc/87/75/37/573877537.db2.gz CUJNNPGRXTYAMH-UHFFFAOYSA-N 0 0 192.222 1.627 10 0 ADAERN Nc1cccc(-n2ncc3c2CCC3)c1 257895040 573877549 /nfs/dbraw/zinc/87/75/49/573877549.db2.gz VCMWDXJYCFPSAH-UHFFFAOYSA-N 0 0 199.257 1.943 10 0 ADAERN CC[C@H](OC)c1nccc(C(C)=O)n1 308460538 573877557 /nfs/dbraw/zinc/87/75/57/573877557.db2.gz DDKVQINKMCWQIK-VIFPVBQESA-N 0 0 194.234 1.777 10 0 ADAERN Cc1c(C(=O)[O-])[nH+]c(NC(C)C)n1C 238165482 573877559 /nfs/dbraw/zinc/87/75/59/573877559.db2.gz RQJFSVKIZWFOJA-UHFFFAOYSA-N 0 0 197.238 1.247 10 0 ADAERN Cc1cccc2c1[C@H]([C@H](C)O)CO2 258169771 573877570 /nfs/dbraw/zinc/87/75/70/573877570.db2.gz MGUUDRYHBXPMPV-IUCAKERBSA-N 0 0 178.231 1.852 10 0 ADAERN Cc1cccc2c1[C@H]([C@@H](C)O)CO2 258169761 573877598 /nfs/dbraw/zinc/87/75/98/573877598.db2.gz MGUUDRYHBXPMPV-BDAKNGLRSA-N 0 0 178.231 1.852 10 0 ADAERN NC(=O)C[C@@H]1C=CCCCC1 238555944 573877612 /nfs/dbraw/zinc/87/76/12/573877612.db2.gz KCNGLXQPFPZXDV-MRVPVSSYSA-N 0 0 153.225 1.608 10 0 ADAERN CC(=O)[C@@H]1CO[C@@H]2CCCC[C@@H]12 238175892 573877615 /nfs/dbraw/zinc/87/76/15/573877615.db2.gz REYLMAICRKLGCG-LPEHRKFASA-N 0 0 168.236 1.781 10 0 ADAERN CC[C@H](C)C[C@H]1COC[C@@H]1O 687966909 573877618 /nfs/dbraw/zinc/87/76/18/573877618.db2.gz OLDHGOMRNQPDDL-CIUDSAMLSA-N 0 0 158.241 1.430 10 0 ADAERN CN1C[C@H](c2ccccn2)N(C)C1=O 259218326 573877621 /nfs/dbraw/zinc/87/76/21/573877621.db2.gz BUXQSVNAVWYBRS-SECBINFHSA-N 0 0 191.234 1.120 10 0 ADAERN CC(C)[C@H]1CO[C@@H](O)C1(F)F 238165626 573877642 /nfs/dbraw/zinc/87/76/42/573877642.db2.gz KOKDPQHTYGXWJE-PHDIDXHHSA-N 0 0 166.167 1.243 10 0 ADAERN Cc1[nH+]c(N[C@@H]2CCOC2)ccc1N 122977045 573877658 /nfs/dbraw/zinc/87/76/58/573877658.db2.gz VEBUSWMHSSUMFE-MRVPVSSYSA-N 0 0 193.250 1.173 10 0 ADAERN c1cc(-c2ccoc2)on1 87307926 573877664 /nfs/dbraw/zinc/87/76/64/573877664.db2.gz MEWAUEYEACYLCQ-UHFFFAOYSA-N 0 0 135.122 1.935 10 0 ADAERN Cc1cc(N(C)CC(N)=O)ccc1F 258982095 573877678 /nfs/dbraw/zinc/87/76/78/573877678.db2.gz CNYLVGGACKKFPQ-UHFFFAOYSA-N 0 0 196.225 1.056 10 0 ADAERN O=C(CO)[C@@H]1CCc2ccccc21 80116836 573877683 /nfs/dbraw/zinc/87/76/83/573877683.db2.gz SRCKZLWEQDVUOI-SNVBAGLBSA-N 0 0 176.215 1.278 10 0 ADAERN C[C@H]1NC(=O)C[C@@]1(C)c1ccoc1 87307974 573877695 /nfs/dbraw/zinc/87/76/95/573877695.db2.gz SSRAUYHGXFHHJH-GMSGAONNSA-N 0 0 179.219 1.446 10 0 ADAERN CC(=O)[C@@H]1CNc2cccc(F)c21 258170935 573877721 /nfs/dbraw/zinc/87/77/21/573877721.db2.gz SAPKMZUJZBWAPE-ZETCQYMHSA-N 0 0 179.194 1.924 10 0 ADAERN CC[C@H](C)C[C@H]1COC[C@H]1O 687966916 573877724 /nfs/dbraw/zinc/87/77/24/573877724.db2.gz OLDHGOMRNQPDDL-XHNCKOQMSA-N 0 0 158.241 1.430 10 0 ADAERN O[C@H]1CCCCC[C@@H]1c1ncc[nH]1 80163193 573877733 /nfs/dbraw/zinc/87/77/33/573877733.db2.gz CDYTZWUKBPTGMI-IUCAKERBSA-N 0 0 180.251 1.818 10 0 ADAERN CC(=O)[C@@H]1C[C@H]2CCC(=O)[C@@]21C 238176546 573877737 /nfs/dbraw/zinc/87/77/37/573877737.db2.gz NOUGEDLDCAZAPF-WEDXCCLWSA-N 0 0 166.220 1.581 10 0 ADAERN C[NH2+][C@@H]([C@H](C)C(=O)[O-])C(C)(C)C 259217443 573877745 /nfs/dbraw/zinc/87/77/45/573877745.db2.gz FYLHZQKLEDBCST-BQBZGAKWSA-N 0 0 173.256 1.341 10 0 ADAERN CC(=O)[C@@H]1CCC[C@]12CCCC(=O)N2 238165588 573877746 /nfs/dbraw/zinc/87/77/46/573877746.db2.gz ZSUZTFLAQMKHRD-ONGXEEELSA-N 0 0 195.262 1.414 10 0 ADAERN CNc1cc(-c2ccoc2)[nH]n1 87307604 573877750 /nfs/dbraw/zinc/87/77/50/573877750.db2.gz JGMBBQOXUZOHKU-UHFFFAOYSA-N 0 0 163.180 1.711 10 0 ADAERN CC(C)[C@H]1C(=O)CCC(=O)[C@H]1C 238176564 573877753 /nfs/dbraw/zinc/87/77/53/573877753.db2.gz ATJPSLOFBWPJPB-GMSGAONNSA-N 0 0 168.236 1.827 10 0 ADAERN CC1=C[C@@H](Cc2ccccc2)NC1=O 238176314 573877783 /nfs/dbraw/zinc/87/77/83/573877783.db2.gz ISXINLLYXNQGGW-NSHDSACASA-N 0 0 187.242 1.674 10 0 ADAERN C[C@@]1(C(N)=O)CC1(Cl)Cl 101682101 573877802 /nfs/dbraw/zinc/87/78/02/573877802.db2.gz IKMBXSNZBCGRAE-BYPYZUCNSA-N 0 0 168.023 1.056 10 0 ADAERN C[C@H](c1ccoc1)[C@@H]1CC(=O)NC1=O 87307793 573877810 /nfs/dbraw/zinc/87/78/10/573877810.db2.gz BXUZHTDABSXVET-SVRRBLITSA-N 0 0 193.202 1.046 10 0 ADAERN Fc1nc(Cl)c2cccnc2n1 238552388 573877841 /nfs/dbraw/zinc/87/78/41/573877841.db2.gz OWMISRUYNITUDK-UHFFFAOYSA-N 0 0 183.573 1.817 10 0 ADAERN CC(=O)C[C@H]1COC[C@@H]1C(C)C 238165531 573877843 /nfs/dbraw/zinc/87/78/43/573877843.db2.gz FFXFVSAKXVHNIA-VHSXEESVSA-N 0 0 170.252 1.884 10 0 ADAERN C[C@@H](c1ccoc1)[NH+]1CC(C(=O)[O-])C1 87307884 573877856 /nfs/dbraw/zinc/87/78/56/573877856.db2.gz IEPLBKGMYZZLHH-ZETCQYMHSA-N 0 0 195.218 1.357 10 0 ADAERN COC(=O)[C@@]1(c2ccc[nH]2)CC1(C)C 258981024 573877879 /nfs/dbraw/zinc/87/78/79/573877879.db2.gz JOLIQACQZRNWIE-NSHDSACASA-N 0 0 193.246 1.855 10 0 ADAERN O=C1NCCc2c(F)cccc2N1 238551911 573877890 /nfs/dbraw/zinc/87/78/90/573877890.db2.gz VVYLOXIREWTEBF-UHFFFAOYSA-N 0 0 180.182 1.503 10 0 ADAERN O[C@H]1CCCCC[C@H]1c1ncc[nH]1 80163188 573877924 /nfs/dbraw/zinc/87/79/24/573877924.db2.gz CDYTZWUKBPTGMI-BDAKNGLRSA-N 0 0 180.251 1.818 10 0 ADAERN COc1cc(O)cc(C)c1[C@H](C)O 258171226 573877937 /nfs/dbraw/zinc/87/79/37/573877937.db2.gz VXUKVASWCPVSQO-ZETCQYMHSA-N 0 0 182.219 1.763 10 0 ADAERN CC(=O)[C@@H]1CO[C@H]2CCCC[C@H]21 238175913 573877964 /nfs/dbraw/zinc/87/79/64/573877964.db2.gz REYLMAICRKLGCG-GUBZILKMSA-N 0 0 168.236 1.781 10 0 ADAERN CC(C)=CCO[C@@H](C)CCO 238368966 573877971 /nfs/dbraw/zinc/87/79/71/573877971.db2.gz KMBDCBVDDQKCOT-VIFPVBQESA-N 0 0 158.241 1.740 10 0 ADAERN CC(=O)[C@@H]1CCC[C@]1(C)C(C)=O 238165500 573877972 /nfs/dbraw/zinc/87/79/72/573877972.db2.gz KVYUWJIJCOLVQB-VHSXEESVSA-N 0 0 168.236 1.971 10 0 ADAERN OCc1cnn(C2CC2)c1Cl 257895712 573877984 /nfs/dbraw/zinc/87/79/84/573877984.db2.gz GYPVNRYALLQVDM-UHFFFAOYSA-N 0 0 172.615 1.364 10 0 ADAERN Cc1ccc(F)c(CNO)c1 235756681 573877996 /nfs/dbraw/zinc/87/79/96/573877996.db2.gz IJAXMPGBVMYKKU-UHFFFAOYSA-N 0 0 155.172 1.613 10 0 ADAERN Cc1cc([C@H](C)O)oc1C 80123710 573879908 /nfs/dbraw/zinc/87/99/08/573879908.db2.gz YEJXQRROWGZSEB-LURJTMIESA-N 0 0 140.182 1.950 10 0 ADAERN Cc1noc2c1c(N)cn2C 76578199 573879183 /nfs/dbraw/zinc/87/91/83/573879183.db2.gz KZTIJPQMFZUWPM-UHFFFAOYSA-N 0 0 151.169 1.057 10 0 ADAERN COc1cc(C)c(NCNN)cc1C 258982239 573879210 /nfs/dbraw/zinc/87/92/10/573879210.db2.gz CPEVSYVSOODTEJ-UHFFFAOYSA-N 0 0 195.266 1.145 10 0 ADAERN Cc1nc(-c2ccc[nH]2)sc1NN 259217425 573879216 /nfs/dbraw/zinc/87/92/16/573879216.db2.gz IHGKVCTVQFRQMM-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN CC1(C)NC(=O)C[C@]1(C)c1ccoc1 87307976 573879228 /nfs/dbraw/zinc/87/92/28/573879228.db2.gz OJHLGKTZECSZSC-LLVKDONJSA-N 0 0 193.246 1.836 10 0 ADAERN NC(=O)C[C@H]1C=CCCCC1 238553079 573879246 /nfs/dbraw/zinc/87/92/46/573879246.db2.gz KCNGLXQPFPZXDV-QMMMGPOBSA-N 0 0 153.225 1.608 10 0 ADAERN C[C@H](CN1CCOCC1)C(F)(F)F 306348453 573879256 /nfs/dbraw/zinc/87/92/56/573879256.db2.gz TZXCJRUZLIVBSC-SSDOTTSWSA-N 0 0 197.200 1.517 10 0 ADAERN CC1(C(=O)[C@@H]2CCCOC2)CC1 225029675 573879260 /nfs/dbraw/zinc/87/92/60/573879260.db2.gz TYZXODSYWHZELF-MRVPVSSYSA-N 0 0 168.236 1.782 10 0 ADAERN O=[S@@]1CCCN[C@@H](c2ccoc2)C1 87307730 573879275 /nfs/dbraw/zinc/87/92/75/573879275.db2.gz DWEKQKAIKNVZRV-RNCFNFMXSA-N 0 0 199.275 1.063 10 0 ADAERN CC(C)C(F)(F)C[C@@H]([NH3+])C(=O)[O-] 257892449 573879276 /nfs/dbraw/zinc/87/92/76/573879276.db2.gz NOAYGYPYXHIJJT-RXMQYKEDSA-N 0 0 181.182 1.080 10 0 ADAERN Cc1nc(N)oc1Br 238553934 573879282 /nfs/dbraw/zinc/87/92/82/573879282.db2.gz GLDMBMGYMNVOOR-UHFFFAOYSA-N 0 0 177.001 1.328 10 0 ADAERN Cc1cn2c(Cl)nccc2n1 238553497 573879310 /nfs/dbraw/zinc/87/93/10/573879310.db2.gz ZTOQPAMJZLFGAB-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN C[C@H](O)C[C@H]1CCCC1=O 76575388 573879324 /nfs/dbraw/zinc/87/93/24/573879324.db2.gz CSWMSEDIIWLVMD-NKWVEPMBSA-N 0 0 142.198 1.127 10 0 ADAERN O=C(C[C@@H]1CCOC1)[C@@H]1CCCOC1 225032992 573879331 /nfs/dbraw/zinc/87/93/31/573879331.db2.gz SFTVNMSVOGMBLI-VHSXEESVSA-N 0 0 198.262 1.409 10 0 ADAERN COc1cc(C)c(C)c(C=O)c1O 223691767 573879365 /nfs/dbraw/zinc/87/93/65/573879365.db2.gz QDWAMGFDQPETCN-UHFFFAOYSA-N 0 0 180.203 1.830 10 0 ADAERN COc1cc(C(C)=O)cc(OC)c1N 258171044 573879368 /nfs/dbraw/zinc/87/93/68/573879368.db2.gz VULPSTBESHSPCK-UHFFFAOYSA-N 0 0 195.218 1.489 10 0 ADAERN COC(=O)/C(C)=C/CC/C=C/CO 238370081 573879381 /nfs/dbraw/zinc/87/93/81/573879381.db2.gz AJBOQCAFHLFXPE-ADIUVMHLSA-N 0 0 184.235 1.434 10 0 ADAERN CC[C@@H]1C[C@@H](C(=O)OC)CC[N@@H+]1C 257892445 573879406 /nfs/dbraw/zinc/87/94/06/573879406.db2.gz NNZQIWGAHBNUQN-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN Cn1cccc(CO)c1=S 238552631 573879410 /nfs/dbraw/zinc/87/94/10/573879410.db2.gz ZCWWWOARYPXNFL-UHFFFAOYSA-N 0 0 155.222 1.247 10 0 ADAERN COc1nc(C2CCC2)c[nH]1 259218633 573879414 /nfs/dbraw/zinc/87/94/14/573879414.db2.gz ZCICUORNTCYMJP-UHFFFAOYSA-N 0 0 152.197 1.686 10 0 ADAERN CCN1C[C@@H](C(C)(C)C)NC1=O 259218383 573879422 /nfs/dbraw/zinc/87/94/22/573879422.db2.gz BWFWTQULTONSCS-ZETCQYMHSA-N 0 0 170.256 1.446 10 0 ADAERN CC(C)(C)[C@H]([NH3+])c1ccncc1CO 238176289 573879425 /nfs/dbraw/zinc/87/94/25/573879425.db2.gz DUEHUORVTMTSMO-SNVBAGLBSA-N 0 0 194.278 1.620 10 0 ADAERN CC(C)Oc1cnc2[nH]cnc2c1 238176451 573879483 /nfs/dbraw/zinc/87/94/83/573879483.db2.gz CXKCXNLNMFCTED-UHFFFAOYSA-N 0 0 177.207 1.745 10 0 ADAERN Cn1ccc(NCc2cnco2)n1 84414219 573879499 /nfs/dbraw/zinc/87/94/99/573879499.db2.gz AOMRSYMOKUCICC-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN O=c1[nH]c(Cl)cc2c1CCC2 238553824 573879528 /nfs/dbraw/zinc/87/95/28/573879528.db2.gz SOBOETVZUOGISQ-UHFFFAOYSA-N 0 0 169.611 1.517 10 0 ADAERN C[C@H](CO)C[C@H](C)[C@@H](C)O 101731953 573879531 /nfs/dbraw/zinc/87/95/31/573879531.db2.gz XTYRJOKNCLJXJF-BIIVOSGPSA-N 0 0 146.230 1.022 10 0 ADAERN CCc1nc([C@@H](C)CO)co1 257892203 573879547 /nfs/dbraw/zinc/87/95/47/573879547.db2.gz BDRXOOVQAWWRHC-LURJTMIESA-N 0 0 155.197 1.333 10 0 ADAERN C[C@@]1(C(=O)[C@@H]2CCCOC2)CCCO1 225028814 573879550 /nfs/dbraw/zinc/87/95/50/573879550.db2.gz BNVUACFXJBOLSJ-KOLCDFICSA-N 0 0 198.262 1.551 10 0 ADAERN CC(C)(O)CC1=CCC[C@H]1O 238176118 573879557 /nfs/dbraw/zinc/87/95/57/573879557.db2.gz NKKGNOUFRHIYGH-MRVPVSSYSA-N 0 0 156.225 1.229 10 0 ADAERN CC[C@@H](CO)C(=O)C1CCOCC1 259217548 573879562 /nfs/dbraw/zinc/87/95/62/573879562.db2.gz TWFUDPTZDKIDBN-QMMMGPOBSA-N 0 0 186.251 1.001 10 0 ADAERN Fc1ncc(OC2CCCC2)cn1 238553252 573879563 /nfs/dbraw/zinc/87/95/63/573879563.db2.gz WPYMXFQZHSOMAK-UHFFFAOYSA-N 0 0 182.198 1.937 10 0 ADAERN CC(C)(NO)[C@@H]1CCCC(=O)C1 238165554 573879571 /nfs/dbraw/zinc/87/95/71/573879571.db2.gz RYRKBGCWCBTNNR-SSDOTTSWSA-N 0 0 171.240 1.503 10 0 ADAERN Cc1ccncc1NCc1cnco1 84415142 573879579 /nfs/dbraw/zinc/87/95/79/573879579.db2.gz HUHUHJNCJXMBGS-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1csc2[nH]c(=O)[nH]c(=S)c12 238553970 573879585 /nfs/dbraw/zinc/87/95/85/573879585.db2.gz UWBIRPNFWQTODX-UHFFFAOYSA-N 0 0 198.272 1.956 10 0 ADAERN CO[C@@H](C)C(=O)[C@@H]1CCCOC1 225027119 573879609 /nfs/dbraw/zinc/87/96/09/573879609.db2.gz KZWPIPYKWDSZAN-JGVFFNPUSA-N 0 0 172.224 1.017 10 0 ADAERN O=Cc1cc2c(cc1C=O)CCC2 222765972 573879619 /nfs/dbraw/zinc/87/96/19/573879619.db2.gz AYSQWBREMPWLRT-UHFFFAOYSA-N 0 0 174.199 1.800 10 0 ADAERN CC(C)=CC(N)=CC(=S)N(C)C 145031096 573879633 /nfs/dbraw/zinc/87/96/33/573879633.db2.gz LSPOHGASYNELNY-SOFGYWHQSA-N 0 0 184.308 1.684 10 0 ADAERN CO[C@@H](C)C(=O)c1ccccn1 225035972 573879634 /nfs/dbraw/zinc/87/96/34/573879634.db2.gz MWTWULCIWIOROE-ZETCQYMHSA-N 0 0 165.192 1.299 10 0 ADAERN OCc1csc(Cc2ccco2)n1 257892245 573879635 /nfs/dbraw/zinc/87/96/35/573879635.db2.gz BEIYGASKFYQPND-UHFFFAOYSA-N 0 0 195.243 1.819 10 0 ADAERN CC(C)Oc1cnc2nccnc2c1 238176506 573879639 /nfs/dbraw/zinc/87/96/39/573879639.db2.gz TZLVRFSQMULSGF-UHFFFAOYSA-N 0 0 189.218 1.812 10 0 ADAERN CC(=O)[C@H](c1ccc[nH]1)N(C)C 259217557 573879642 /nfs/dbraw/zinc/87/96/42/573879642.db2.gz JDCXHNBKBXOLND-SECBINFHSA-N 0 0 166.224 1.206 10 0 ADAERN C[C@H](O)CC(C)(C)c1ccnn1C 84417989 573879645 /nfs/dbraw/zinc/87/96/45/573879645.db2.gz ZERMMWAYGWOJPW-QMMMGPOBSA-N 0 0 182.267 1.469 10 0 ADAERN CC[C@H]1C[C@H](C(=O)OC)CC[N@@H+]1C 257892444 573879650 /nfs/dbraw/zinc/87/96/50/573879650.db2.gz NNZQIWGAHBNUQN-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN CC[C@H](C[N@H+](C)C1CCCC1)C(=O)[O-] 258981581 573879665 /nfs/dbraw/zinc/87/96/65/573879665.db2.gz MEDIBQZWNVEGHG-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC1CC(=S)NC(=S)C1 238176393 573879668 /nfs/dbraw/zinc/87/96/68/573879668.db2.gz WYOUHZJSWNLCBW-UHFFFAOYSA-N 0 0 159.279 1.661 10 0 ADAERN CC(=O)C[C@@H]1COC[C@@H]1C(C)C 238165568 573879677 /nfs/dbraw/zinc/87/96/77/573879677.db2.gz FFXFVSAKXVHNIA-NXEZZACHSA-N 0 0 170.252 1.884 10 0 ADAERN C/C=C/C(=O)OCCF 101659628 573879678 /nfs/dbraw/zinc/87/96/78/573879678.db2.gz BOXQWVDIRMGKGQ-NSCUHMNNSA-N 0 0 132.134 1.075 10 0 ADAERN CC(C)[C@H]1c2cc(O)ccc2O[C@@H]1O 238175887 573879689 /nfs/dbraw/zinc/87/96/89/573879689.db2.gz IGGGGTUSTBVUMD-QWRGUYRKSA-N 0 0 194.230 1.843 10 0 ADAERN C[C@H](O)CC[C@@H](C)[C@@H](C)O 80170526 573879694 /nfs/dbraw/zinc/87/96/94/573879694.db2.gz VWRMHWAYIOHUNG-GJMOJQLCSA-N 0 0 146.230 1.164 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]2CC[C@@H]21 238176224 573879696 /nfs/dbraw/zinc/87/96/96/573879696.db2.gz CFDJXEUHIFCYAH-FXQIFTODSA-N 0 0 124.183 1.622 10 0 ADAERN COC1(C(=O)[C@@H]2CCCOC2)CCC1 225034415 573879705 /nfs/dbraw/zinc/87/97/05/573879705.db2.gz VPYONQZQFRQDJA-SECBINFHSA-N 0 0 198.262 1.551 10 0 ADAERN O=C(Nc1ncc(Cl)cn1)C1CC1 238556088 573879713 /nfs/dbraw/zinc/87/97/13/573879713.db2.gz MJQBSDLSOKWRQM-UHFFFAOYSA-N 0 0 197.625 1.479 10 0 ADAERN O=C(C[C@H]1CCOC1)[C@@H]1CCCOC1 225033041 573879719 /nfs/dbraw/zinc/87/97/19/573879719.db2.gz SFTVNMSVOGMBLI-NXEZZACHSA-N 0 0 198.262 1.409 10 0 ADAERN COCCc1cn2c(O)cccc2n1 257895864 573879729 /nfs/dbraw/zinc/87/97/29/573879729.db2.gz HHDFEQFPRYGJRC-UHFFFAOYSA-N 0 0 192.218 1.229 10 0 ADAERN C[C@H]1SCC[C@H]1Nn1cccc1 235662280 573879749 /nfs/dbraw/zinc/87/97/49/573879749.db2.gz SXDGPPRVXYPHTA-RKDXNWHRSA-N 0 0 182.292 1.926 10 0 ADAERN O=C1C[C@@H]2C=C[C@@]2(Cl)C1 238556075 573879764 /nfs/dbraw/zinc/87/97/64/573879764.db2.gz QBCZYFMKYVIGRN-CAHLUQPWSA-N 0 0 142.585 1.513 10 0 ADAERN Cc1c[nH]c(=O)c2sccc12 238553186 573879776 /nfs/dbraw/zinc/87/97/76/573879776.db2.gz KRGJXPVFAUOARX-UHFFFAOYSA-N 0 0 165.217 1.898 10 0 ADAERN Cc1cnc(NC(C)C)o1 76574289 573879809 /nfs/dbraw/zinc/87/98/09/573879809.db2.gz QLAHXCJGMMYGNW-UHFFFAOYSA-N 0 0 140.186 1.803 10 0 ADAERN COC(C)(C)C(=O)[C@H]1CCCOC1 225026864 573879825 /nfs/dbraw/zinc/87/98/25/573879825.db2.gz XCXIMLDOJHUDMX-QMMMGPOBSA-N 0 0 186.251 1.407 10 0 ADAERN CC[C@H](CO)C(=O)C1CCOCC1 259217544 573879838 /nfs/dbraw/zinc/87/98/38/573879838.db2.gz TWFUDPTZDKIDBN-MRVPVSSYSA-N 0 0 186.251 1.001 10 0 ADAERN OCCc1c(F)ccc2c1OCC2 258171231 573879846 /nfs/dbraw/zinc/87/98/46/573879846.db2.gz VXZRUFRJNWARLT-UHFFFAOYSA-N 0 0 182.194 1.295 10 0 ADAERN CC1(C)CCC[C@@H](NC=O)C1 80085051 573879852 /nfs/dbraw/zinc/87/98/52/573879852.db2.gz WFDVKMFACFRYLT-MRVPVSSYSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@H](CC1CC1)NN 252999181 573879882 /nfs/dbraw/zinc/87/98/82/573879882.db2.gz IKEUVCDFZIGRKN-HGNGGELXSA-N 0 0 184.283 1.043 10 0 ADAERN CC[C@@H](C[N@H+](C)C1CCCC1)C(=O)[O-] 258981583 573879901 /nfs/dbraw/zinc/87/99/01/573879901.db2.gz MEDIBQZWNVEGHG-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN c1ncc(CNc2cn[nH]c2)o1 84413823 573879902 /nfs/dbraw/zinc/87/99/02/573879902.db2.gz USFKPTLMZRTVPY-UHFFFAOYSA-N 0 0 164.168 1.010 10 0 ADAERN CC1=C[C@@H]2CC[C@@H](O)[C@@H]12 238178859 573880362 /nfs/dbraw/zinc/88/03/62/573880362.db2.gz SXEOYWIRTJZBNT-RNJXMRFFSA-N 0 0 124.183 1.333 10 0 ADAERN O=Cc1cc2nc(Cl)ccn2n1 238553613 573880376 /nfs/dbraw/zinc/88/03/76/573880376.db2.gz XYYRXIXWLKZLFB-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN Cc1ccc(C2N=NC(=O)O2)c(F)c1 87333245 573880378 /nfs/dbraw/zinc/88/03/78/573880378.db2.gz KJTHGJMELVBWSE-UHFFFAOYSA-N 0 0 194.165 1.890 10 0 ADAERN CC1(C)OC(=O)c2cccc(N)c21 238178195 573880384 /nfs/dbraw/zinc/88/03/84/573880384.db2.gz RYFYUWQTFHTDIZ-UHFFFAOYSA-N 0 0 177.203 1.674 10 0 ADAERN CC(C)[C@](O)(CO)c1ccccc1 80130796 573880388 /nfs/dbraw/zinc/88/03/88/573880388.db2.gz HEYRHDCXPZCMNV-LLVKDONJSA-N 0 0 180.247 1.523 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@H]2C[C@@H]2C(=O)[O-])o1 259579220 573880392 /nfs/dbraw/zinc/88/03/92/573880392.db2.gz ZBPPMPGSHGNLDM-ACLDMZEESA-N 0 0 195.218 1.309 10 0 ADAERN CC(=O)[C@@H]1[C@@H]2CCCC(=O)[C@@H]21 238177628 573880413 /nfs/dbraw/zinc/88/04/13/573880413.db2.gz SLMKGZSNFNFDGZ-NBEYISGCSA-N 0 0 152.193 1.191 10 0 ADAERN CC[C@@](C)(Cl)CO 101786269 573880429 /nfs/dbraw/zinc/88/04/29/573880429.db2.gz KHRMWZLCKDAFJC-RXMQYKEDSA-N 0 0 122.595 1.386 10 0 ADAERN Cc1cc(C=O)c2n1CCO2 76578151 573880436 /nfs/dbraw/zinc/88/04/36/573880436.db2.gz CKFZLBVUWZJDPY-UHFFFAOYSA-N 0 0 151.165 1.001 10 0 ADAERN O=Cc1cccc2cnoc12 76577294 573880452 /nfs/dbraw/zinc/88/04/52/573880452.db2.gz NENDPUPMMVQQMB-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN CC(=O)[C@H]1[C@@H]2C=CC=CC[C@@H]21 238178326 573880456 /nfs/dbraw/zinc/88/04/56/573880456.db2.gz LRTWPKAUXARSNA-UTLUCORTSA-N 0 0 148.205 1.954 10 0 ADAERN ClC1=CC2=CCCC2=NN1 238552680 573880458 /nfs/dbraw/zinc/88/04/58/573880458.db2.gz HAIBWFDSYOYVTM-UHFFFAOYSA-N 0 0 154.600 1.746 10 0 ADAERN c1occ2c1NCCCN2 76573638 573880478 /nfs/dbraw/zinc/88/04/78/573880478.db2.gz KNEPVYJFWFQVBC-UHFFFAOYSA-N 0 0 138.170 1.507 10 0 ADAERN C[C@H]([NH2+]Cc1cncs1)[C@@H](C)O 131478860 573880505 /nfs/dbraw/zinc/88/05/05/573880505.db2.gz YVJQHVXJNDTDII-NKWVEPMBSA-N 0 0 186.280 1.002 10 0 ADAERN c1cncc(NCc2cnco2)c1 84413130 573880525 /nfs/dbraw/zinc/88/05/25/573880525.db2.gz GOKNWQYQPHCWKH-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CC(C)[C@H]1OC(=O)C=C([O-])[C@H]1C 238177691 573880526 /nfs/dbraw/zinc/88/05/26/573880526.db2.gz PWEYSYNYQWNPLW-HZGVNTEJSA-N 0 0 170.208 1.163 10 0 ADAERN Cn1cc(NCc2cnco2)cn1 84413814 573880533 /nfs/dbraw/zinc/88/05/33/573880533.db2.gz PKSZQSJZBYHPBN-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN OC1(c2ccc(Cl)s2)C[NH2+]C1 87335556 573880534 /nfs/dbraw/zinc/88/05/34/573880534.db2.gz HXXXWIGZMYRHHH-UHFFFAOYSA-N 0 0 189.667 1.192 10 0 ADAERN CSc1cc(C=O)ccc1N 259217351 573880537 /nfs/dbraw/zinc/88/05/37/573880537.db2.gz OEZAHYWPEXUTNH-UHFFFAOYSA-N 0 0 167.233 1.803 10 0 ADAERN Oc1cccc(NCc2cnco2)c1 84413608 573880546 /nfs/dbraw/zinc/88/05/46/573880546.db2.gz WGIVRVXLVWHVCS-UHFFFAOYSA-N 0 0 190.202 1.992 10 0 ADAERN CN(C#N)c1ccc2oc(=O)[nH]c2c1 259218408 573880547 /nfs/dbraw/zinc/88/05/47/573880547.db2.gz ASMAFLVJVVXCLD-UHFFFAOYSA-N 0 0 189.174 1.038 10 0 ADAERN OCC1=CCc2ccccc2C1 80135720 573880560 /nfs/dbraw/zinc/88/05/60/573880560.db2.gz XUGTXRGIFBUPJI-UHFFFAOYSA-N 0 0 160.216 1.704 10 0 ADAERN Cc1ccc(C(=O)NC(C)C)c(N)c1 87332047 573880587 /nfs/dbraw/zinc/88/05/87/573880587.db2.gz BHPUPELYIZRFRN-UHFFFAOYSA-N 0 0 192.262 1.715 10 0 ADAERN O=C(c1ncc[nH]1)[C@@H]1CCCOC1 225029275 573880606 /nfs/dbraw/zinc/88/06/06/573880606.db2.gz KHKGJOIBDAGASO-SSDOTTSWSA-N 0 0 180.207 1.019 10 0 ADAERN C/C=C/C(=O)Nc1nnc(C2CC2)o1 87333672 573880609 /nfs/dbraw/zinc/88/06/09/573880609.db2.gz HNDOGVSZTGMVEP-NSCUHMNNSA-N 0 0 193.206 1.462 10 0 ADAERN C[C@]1(C(=O)[C@H]2CCCOC2)CCCO1 225028929 573880613 /nfs/dbraw/zinc/88/06/13/573880613.db2.gz BNVUACFXJBOLSJ-GXSJLCMTSA-N 0 0 198.262 1.551 10 0 ADAERN CCC(CC)c1nnc(N)o1 19266121 573880614 /nfs/dbraw/zinc/88/06/14/573880614.db2.gz NLABOLVGUIVERY-UHFFFAOYSA-N 0 0 155.201 1.555 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@H](C(=O)[O-])[C@@H]1C 238177490 573880617 /nfs/dbraw/zinc/88/06/17/573880617.db2.gz PVJDPECGXWLKKD-UWVGGRQHSA-N 0 0 199.294 1.970 10 0 ADAERN C[NH2+][C@H]([C@H](C)C(=O)[O-])C(C)(C)C 259217447 573880647 /nfs/dbraw/zinc/88/06/47/573880647.db2.gz FYLHZQKLEDBCST-NKWVEPMBSA-N 0 0 173.256 1.341 10 0 ADAERN Oc1ccc(NCc2cnco2)cc1 84414138 573880649 /nfs/dbraw/zinc/88/06/49/573880649.db2.gz HAWSTEVSOHDPIS-UHFFFAOYSA-N 0 0 190.202 1.992 10 0 ADAERN CC1CCC(NC(=O)C[C@@H](C)O)CC1 238178617 573880679 /nfs/dbraw/zinc/88/06/79/573880679.db2.gz BLCSEAQHWNGXFV-HWOCKDDLSA-N 0 0 199.294 1.452 10 0 ADAERN C/C=C\CC1(C(=O)[O-])CC[NH2+]CC1 211749012 573880701 /nfs/dbraw/zinc/88/07/01/573880701.db2.gz JTNWUQRMBZSLJI-IHWYPQMZSA-N 0 0 183.251 1.407 10 0 ADAERN CC1CCC(O)([C@@H](C)CCO)CC1 238179077 573880717 /nfs/dbraw/zinc/88/07/17/573880717.db2.gz TXNHCGXOUGQMFX-YVNMAJEFSA-N 0 0 186.295 1.946 10 0 ADAERN CC1(C)OC(=O)[C@@H]2NCCCC[C@@H]21 238177465 573880726 /nfs/dbraw/zinc/88/07/26/573880726.db2.gz NHNQGFQGXVXCPZ-JGVFFNPUSA-N 0 0 183.251 1.080 10 0 ADAERN NC(=O)[C@H](F)Sc1ccccc1 238553588 573880735 /nfs/dbraw/zinc/88/07/35/573880735.db2.gz LHSMOUDAACFNGO-SSDOTTSWSA-N 0 0 185.223 1.560 10 0 ADAERN CC(C)P(C)CO 238178555 573880739 /nfs/dbraw/zinc/88/07/39/573880739.db2.gz KIAHBQKMOXJFDU-UHFFFAOYSA-N 0 0 120.132 1.456 10 0 ADAERN C[C@H]1CC(=O)c2cc(O)ccc2N1 257892452 573880751 /nfs/dbraw/zinc/88/07/51/573880751.db2.gz NOBSWOKSROJHEM-LURJTMIESA-N 0 0 177.203 1.779 10 0 ADAERN C=CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 101713207 573880781 /nfs/dbraw/zinc/88/07/81/573880781.db2.gz WSJZKXIZTGKXIM-OCAPTIKFSA-N 0 0 177.203 1.081 10 0 ADAERN CC(C)[C@@H]([NH3+])C1CCC(C(=O)[O-])CC1 259218579 573880787 /nfs/dbraw/zinc/88/07/87/573880787.db2.gz GUGOWTZSQDTQBS-UDNWOFFPSA-N 0 0 199.294 1.861 10 0 ADAERN CCN1C[C@H](C(C)(C)C)NC1=O 259218381 573880811 /nfs/dbraw/zinc/88/08/11/573880811.db2.gz BWFWTQULTONSCS-SSDOTTSWSA-N 0 0 170.256 1.446 10 0 ADAERN O=C(COC1CCC1)NC1CCCC1 717676633 573880818 /nfs/dbraw/zinc/88/08/18/573880818.db2.gz DVTOVZPIQYEMHF-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CC1(C2N=NC(=S)N2)CCCC1 87317395 573880889 /nfs/dbraw/zinc/88/08/89/573880889.db2.gz NQDYMTMWEZUEIW-UHFFFAOYSA-N 0 0 183.280 1.925 10 0 ADAERN C/C=C/C(=O)Nn1c(C)ccc1C 87333857 573880900 /nfs/dbraw/zinc/88/09/00/573880900.db2.gz SCJAILFFGZSZLL-SNAWJCMRSA-N 0 0 178.235 1.751 10 0 ADAERN Cc1cn2c(C)nc(=O)cc2[nH]1 238553250 573880904 /nfs/dbraw/zinc/88/09/04/573880904.db2.gz LEEOYWOSSYWCCH-UHFFFAOYSA-N 0 0 163.180 1.052 10 0 ADAERN Cc1c[nH]c(=O)c2ccn(C)c12 238553086 573880914 /nfs/dbraw/zinc/88/09/14/573880914.db2.gz KJKLPKRGJNMDGW-UHFFFAOYSA-N 0 0 162.192 1.175 10 0 ADAERN COC(=O)[C@](N)(CC(C)C)[C@H](C)F 257891801 573880924 /nfs/dbraw/zinc/88/09/24/573880924.db2.gz XFWFFZHZBYDWHY-CBAPKCEASA-N 0 0 191.246 1.261 10 0 ADAERN O=C1CC[C@@H]2CC=CC[C@@H]2N1 101674893 573880929 /nfs/dbraw/zinc/88/09/29/573880929.db2.gz AOZHYGYPDSGYSO-YUMQZZPRSA-N 0 0 151.209 1.231 10 0 ADAERN OCCC(F)(F)C1CCOCC1 258981220 573880953 /nfs/dbraw/zinc/88/09/53/573880953.db2.gz JRYSMALSMBCXQN-UHFFFAOYSA-N 0 0 180.194 1.431 10 0 ADAERN CC(C)[C@H]1OC(=O)C=C([O-])[C@@H]1C 238177671 573881006 /nfs/dbraw/zinc/88/10/06/573881006.db2.gz PWEYSYNYQWNPLW-IMTBSYHQSA-N 0 0 170.208 1.163 10 0 ADAERN CCC1(C(=O)NC(N)=O)CCCC1 87330376 573881024 /nfs/dbraw/zinc/88/10/24/573881024.db2.gz MQFDZNGCLHOJSU-UHFFFAOYSA-N 0 0 184.239 1.152 10 0 ADAERN Cc1csc2c1C(=O)NCCC2 238553664 573881038 /nfs/dbraw/zinc/88/10/38/573881038.db2.gz MNQUMHAYXNPQRM-UHFFFAOYSA-N 0 0 181.260 1.733 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)[C@@H]1CCCOC1 225023308 573881043 /nfs/dbraw/zinc/88/10/43/573881043.db2.gz XZLWRGFJFDCHHE-HLTSFMKQSA-N 0 0 168.236 1.638 10 0 ADAERN COC(=O)C/C=C\C[C@H]1CCCOC1 258170483 573881081 /nfs/dbraw/zinc/88/10/81/573881081.db2.gz LLGFXYUQRZMGCQ-ZMWSMAPVSA-N 0 0 198.262 1.922 10 0 ADAERN CC(C)[C@@H]1CC(=O)[C@H]2O[C@@]2(C)C1 238178704 573881098 /nfs/dbraw/zinc/88/10/98/573881098.db2.gz DVSZXZMVUQDGEG-QNSHHTMESA-N 0 0 168.236 1.779 10 0 ADAERN O=C1CC[C@@H]2CC=CC[C@H]2N1 101674897 573881137 /nfs/dbraw/zinc/88/11/37/573881137.db2.gz AOZHYGYPDSGYSO-JGVFFNPUSA-N 0 0 151.209 1.231 10 0 ADAERN CNc1cc(C)ccc1C(N)=O 87332192 573881140 /nfs/dbraw/zinc/88/11/40/573881140.db2.gz UQYXUXBVOCZCDO-UHFFFAOYSA-N 0 0 164.208 1.136 10 0 ADAERN C[C@@H]1NCN(CCCCC2CC2)C1=O 716327913 573881168 /nfs/dbraw/zinc/88/11/68/573881168.db2.gz MQBYXPXVFDPJCA-VIFPVBQESA-N 0 0 196.294 1.345 10 0 ADAERN CC[C@@H](C)[C@H](O)C1(O)CCCC1 101970924 573883849 /nfs/dbraw/zinc/88/38/49/573883849.db2.gz HDCXFQJQWPFHOZ-BDAKNGLRSA-N 0 0 172.268 1.699 10 0 ADAERN CC(=O)c1ccc(N(C)[C@@H](C)CO)o1 131582904 573883857 /nfs/dbraw/zinc/88/38/57/573883857.db2.gz IIJWTMWVHNSGMA-ZETCQYMHSA-N 0 0 197.234 1.299 10 0 ADAERN Nc1cccc(NC2CC(O)C2)c1 84422123 573883888 /nfs/dbraw/zinc/88/38/88/573883888.db2.gz ZNHDNTGEGSNILK-UHFFFAOYSA-N 0 0 178.235 1.204 10 0 ADAERN CCCCCN1CC[C@@H](O)CC1=O 259219597 573883904 /nfs/dbraw/zinc/88/39/04/573883904.db2.gz CXBYMFGRPYQXED-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN CC(C)c1noc(C2CC(O)C2)n1 84421250 573883906 /nfs/dbraw/zinc/88/39/06/573883906.db2.gz LHRBCSJCSYIUHB-UHFFFAOYSA-N 0 0 182.223 1.431 10 0 ADAERN CC(C)C[C@@H](C)C(=O)c1ncn(C)n1 714767594 573883931 /nfs/dbraw/zinc/88/39/31/573883931.db2.gz BSUZNLHYEKKENU-MRVPVSSYSA-N 0 0 195.266 1.680 10 0 ADAERN CC(C)[C@@H]1CC2(CC2)[C@H]1O 238178900 573883941 /nfs/dbraw/zinc/88/39/41/573883941.db2.gz ITLYAWJFNUYIJP-YUMQZZPRSA-N 0 0 140.226 1.803 10 0 ADAERN Cc1ccc(-c2nnc(N)o2)c(F)c1 87331490 573883942 /nfs/dbraw/zinc/88/39/42/573883942.db2.gz XJHOSBUWKHZCMR-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CNOCCOc1cccc(OC)c1 257892617 573883947 /nfs/dbraw/zinc/88/39/47/573883947.db2.gz GWHJGJQOHFXSSY-UHFFFAOYSA-N 0 0 197.234 1.225 10 0 ADAERN Cc1cccc2c1O[C@@H](O)CC2=O 238549444 573883960 /nfs/dbraw/zinc/88/39/60/573883960.db2.gz DTEFHGLUIAVKIK-SECBINFHSA-N 0 0 178.187 1.279 10 0 ADAERN Oc1cc2c(c(C3(O)CC3)c1)OCO2 258171141 573883246 /nfs/dbraw/zinc/88/32/46/573883246.db2.gz VVXWKIHJUKYXGF-UHFFFAOYSA-N 0 0 194.186 1.102 10 0 ADAERN C=Cc1ccc2n[nH]nc2c1 80222452 573883257 /nfs/dbraw/zinc/88/32/57/573883257.db2.gz CDTYDMKRNQVPFQ-UHFFFAOYSA-N 0 0 145.165 1.601 10 0 ADAERN Cn1cncc1C(=O)[C@H]1CCCOC1 225032606 573883260 /nfs/dbraw/zinc/88/32/60/573883260.db2.gz YNKHVNBXKFRWGM-QMMMGPOBSA-N 0 0 194.234 1.029 10 0 ADAERN Nc1cc(F)cc(NC2CC(O)C2)c1 84421939 573883268 /nfs/dbraw/zinc/88/32/68/573883268.db2.gz MZPHFHNTQGPCMW-UHFFFAOYSA-N 0 0 196.225 1.343 10 0 ADAERN CO[C@@H](C)[C@H](O)CC(=O)C(C)(C)C 393568254 573883275 /nfs/dbraw/zinc/88/32/75/573883275.db2.gz QSANOOICYYVISE-JGVFFNPUSA-N 0 0 188.267 1.388 10 0 ADAERN Cc1nc(C(F)F)c(CO)s1 716336037 573883285 /nfs/dbraw/zinc/88/32/85/573883285.db2.gz SFGIGMRGYONPID-UHFFFAOYSA-N 0 0 179.191 1.881 10 0 ADAERN CC(=O)OCc1ncc(C)cc1F 716328019 573883302 /nfs/dbraw/zinc/88/33/02/573883302.db2.gz GZULAEJQORGIMF-UHFFFAOYSA-N 0 0 183.182 1.592 10 0 ADAERN CCC(=O)[C@H](C)C[C@H](C)O 76576639 573883307 /nfs/dbraw/zinc/88/33/07/573883307.db2.gz QNEMOJXDBZQRHG-RQJHMYQMSA-N 0 0 144.214 1.373 10 0 ADAERN CC(=O)c1c[nH]c2c(F)nccc12 101924367 573883310 /nfs/dbraw/zinc/88/33/10/573883310.db2.gz OYQGFEXVPTVSJY-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN Nc1ncc(COc2ccccc2)o1 258172248 573883323 /nfs/dbraw/zinc/88/33/23/573883323.db2.gz MJPQCSAFBRGURB-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@H]2C[C@H]2C(=O)[O-])o1 259579227 573883340 /nfs/dbraw/zinc/88/33/40/573883340.db2.gz ZBPPMPGSHGNLDM-LKEWCRSYSA-N 0 0 195.218 1.309 10 0 ADAERN CC(C)[C@H]1CCNC(=O)O1 258445259 573883345 /nfs/dbraw/zinc/88/33/45/573883345.db2.gz FITBPTWUWUNCRJ-ZCFIWIBFSA-N 0 0 143.186 1.141 10 0 ADAERN C[C@@H]1CC(=O)c2cc(O)ccc2N1 257892453 573883369 /nfs/dbraw/zinc/88/33/69/573883369.db2.gz NOBSWOKSROJHEM-ZCFIWIBFSA-N 0 0 177.203 1.779 10 0 ADAERN CNc1ncc(Cc2cccnc2)o1 258518848 573883373 /nfs/dbraw/zinc/88/33/73/573883373.db2.gz FZMGIOJVTVZSJA-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN OC1CC(CNc2ccccc2)C1 84421198 573883396 /nfs/dbraw/zinc/88/33/96/573883396.db2.gz NZPGXUFNYGESHG-UHFFFAOYSA-N 0 0 177.247 1.869 10 0 ADAERN CNCc1nnc(C2(C)CCCC2)o1 87319030 573883400 /nfs/dbraw/zinc/88/34/00/573883400.db2.gz QYIDKIDEWRQJKS-UHFFFAOYSA-N 0 0 195.266 1.621 10 0 ADAERN CC(C)c1ncncc1C=O 76578004 573883404 /nfs/dbraw/zinc/88/34/04/573883404.db2.gz GNNWYOFTVFYEMO-UHFFFAOYSA-N 0 0 150.181 1.413 10 0 ADAERN CCNC(=O)[C@@H](C)n1cnc(C)c1C 80305235 573883405 /nfs/dbraw/zinc/88/34/05/573883405.db2.gz BUYDYIBVMRLTON-SECBINFHSA-N 0 0 195.266 1.197 10 0 ADAERN O=C(CC1CCCC1)NC1CC(O)C1 84422746 573883417 /nfs/dbraw/zinc/88/34/17/573883417.db2.gz AOIWIHVKCVHGFO-UHFFFAOYSA-N 0 0 197.278 1.206 10 0 ADAERN CC(C)[C@H]1OCCC[C@H](CO)O1 238178882 573883420 /nfs/dbraw/zinc/88/34/20/573883420.db2.gz GRWQLPNKBCVYGO-BDAKNGLRSA-N 0 0 174.240 1.156 10 0 ADAERN CC[C@@H]1C[C@H](C(=O)OC)CC[N@@H+]1C 257892447 573883468 /nfs/dbraw/zinc/88/34/68/573883468.db2.gz NNZQIWGAHBNUQN-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN OCCCc1nc([C@H]2CCOC2)co1 258171898 573883482 /nfs/dbraw/zinc/88/34/82/573883482.db2.gz UJAJQJITRHXGHZ-QMMMGPOBSA-N 0 0 197.234 1.103 10 0 ADAERN C[C@@H](O)[C@@H](C)[NH2+]Cc1cncs1 131479063 573883499 /nfs/dbraw/zinc/88/34/99/573883499.db2.gz YVJQHVXJNDTDII-RNFRBKRXSA-N 0 0 186.280 1.002 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1cccc(F)n1 122984846 573883514 /nfs/dbraw/zinc/88/35/14/573883514.db2.gz ZUCXXTCAXVQAAU-XPUUQOCRSA-N 0 0 194.209 1.359 10 0 ADAERN C=CC1=CC[C@@H](O)COC1(C)C 238178126 573883544 /nfs/dbraw/zinc/88/35/44/573883544.db2.gz MWRNMCRECQBAGV-SECBINFHSA-N 0 0 168.236 1.659 10 0 ADAERN CC(C)[C@H]1OCC2=NOC[C@@H]21 238178720 573883554 /nfs/dbraw/zinc/88/35/54/573883554.db2.gz NEJTZOPGXSOVTP-POYBYMJQSA-N 0 0 155.197 1.044 10 0 ADAERN NC(=O)c1nc(-c2cccs2)c[nH]1 258983909 573883555 /nfs/dbraw/zinc/88/35/55/573883555.db2.gz ADIZBCVGQFQHBT-UHFFFAOYSA-N 0 0 193.231 1.237 10 0 ADAERN CC[C@@H](C)[C@@H](O)C1(O)CCCC1 101970932 573883563 /nfs/dbraw/zinc/88/35/63/573883563.db2.gz HDCXFQJQWPFHOZ-RKDXNWHRSA-N 0 0 172.268 1.699 10 0 ADAERN C[NH2+][C@H]([C@@H](C)CC(=O)[O-])C(C)(C)C 259220314 573883567 /nfs/dbraw/zinc/88/35/67/573883567.db2.gz GCMQZDNUBBHXCN-IONNQARKSA-N 0 0 187.283 1.731 10 0 ADAERN Nc1ccc(F)cc1NC1CC(O)C1 84422192 573883570 /nfs/dbraw/zinc/88/35/70/573883570.db2.gz GUEKYIMLWDKRSO-UHFFFAOYSA-N 0 0 196.225 1.343 10 0 ADAERN CC[C@H](O)[C@@H](C)N(C)CC(F)(F)F 44161316 573883578 /nfs/dbraw/zinc/88/35/78/573883578.db2.gz NGULQPAIEJRWDQ-RQJHMYQMSA-N 0 0 199.216 1.640 10 0 ADAERN COc1ccc(F)cc1N(C)CO 258984164 573883582 /nfs/dbraw/zinc/88/35/82/573883582.db2.gz WVPOGEFHTFDUOC-UHFFFAOYSA-N 0 0 185.198 1.220 10 0 ADAERN CC/C=C(/CCC)C(N)=O 101863134 573883588 /nfs/dbraw/zinc/88/35/88/573883588.db2.gz RKMBLTWJMFPDNH-ALCCZGGFSA-N 0 0 141.214 1.608 10 0 ADAERN C=C=C[C@H](O)C[C@H]1COC(C)(C)O1 238177746 573883598 /nfs/dbraw/zinc/88/35/98/573883598.db2.gz MDEDNQSVKRFOHQ-IUCAKERBSA-N 0 0 184.235 1.230 10 0 ADAERN CC(C)[C@@H]1CC2(CC2)[C@@H]1O 238178874 573883658 /nfs/dbraw/zinc/88/36/58/573883658.db2.gz ITLYAWJFNUYIJP-JGVFFNPUSA-N 0 0 140.226 1.803 10 0 ADAERN Cc1c(F)nc(-c2cn[nH]c2)nc1F 690000992 573883682 /nfs/dbraw/zinc/88/36/82/573883682.db2.gz GWHNNYKHPLGSDA-UHFFFAOYSA-N 0 0 196.160 1.453 10 0 ADAERN CC(C)[C@H]1OCC2=NOC[C@H]21 238178694 573883687 /nfs/dbraw/zinc/88/36/87/573883687.db2.gz NEJTZOPGXSOVTP-HTRCEHHLSA-N 0 0 155.197 1.044 10 0 ADAERN CC(C)[C@@H]1CCNC(=O)O1 258445253 573883690 /nfs/dbraw/zinc/88/36/90/573883690.db2.gz FITBPTWUWUNCRJ-LURJTMIESA-N 0 0 143.186 1.141 10 0 ADAERN CC[C@H](C)c1noc(C2CC(O)C2)n1 84421223 573883717 /nfs/dbraw/zinc/88/37/17/573883717.db2.gz AJNAQJUGSAFTAC-KKMMWDRVSA-N 0 0 196.250 1.821 10 0 ADAERN CC1([C@@H](O)Cc2ncc[nH]2)CCCC1 87318339 573883726 /nfs/dbraw/zinc/88/37/26/573883726.db2.gz GQSAHOUSWYSGMD-VIFPVBQESA-N 0 0 194.278 1.893 10 0 ADAERN NC(=O)Nc1cccc2ccncc12 87333629 573883736 /nfs/dbraw/zinc/88/37/36/573883736.db2.gz GTLJOGPPYKFRBZ-UHFFFAOYSA-N 0 0 187.202 1.725 10 0 ADAERN C/C=C\C(=O)N(CCC)OC 393568389 573883822 /nfs/dbraw/zinc/88/38/22/573883822.db2.gz GNDFRMWQUCNPRX-XQRVVYSFSA-N 0 0 157.213 1.363 10 0 ADAERN CC(C)[C@@H]1CC2(CC2)CNC1=O 238178842 573883831 /nfs/dbraw/zinc/88/38/31/573883831.db2.gz XXOBNUWNVGLKHH-QMMMGPOBSA-N 0 0 167.252 1.559 10 0 ADAERN O=C1C[C@@H](c2cc(Cl)ccn2)CN1 238554514 573885217 /nfs/dbraw/zinc/88/52/17/573885217.db2.gz DXIMXONTIZSIAS-ZCFIWIBFSA-N 0 0 196.637 1.339 10 0 ADAERN OCC[C@@H]1CNc2ccc(O)cc2C1 257893893 573885222 /nfs/dbraw/zinc/88/52/22/573885222.db2.gz XRDLBSWQDKFJDD-QMMMGPOBSA-N 0 0 193.246 1.359 10 0 ADAERN Cc1nc(N)nc2c1CCSCC2 257893854 573885249 /nfs/dbraw/zinc/88/52/49/573885249.db2.gz XQEHEGQOGVFMDZ-UHFFFAOYSA-N 0 0 195.291 1.199 10 0 ADAERN CC(C)C[C@H](C)[C@H](C)C(N)=O 238179862 573885262 /nfs/dbraw/zinc/88/52/62/573885262.db2.gz QKDWCODXGKCDKL-YUMQZZPRSA-N 0 0 157.257 1.790 10 0 ADAERN CC1(C)CC(=O)CC[C@@]1(C)CO 238179865 573885294 /nfs/dbraw/zinc/88/52/94/573885294.db2.gz CNSKQYDZJOXBAK-JTQLQIEISA-N 0 0 170.252 1.764 10 0 ADAERN Cc1ccc(C(=O)CNC=O)c(C)c1 238549562 573885310 /nfs/dbraw/zinc/88/53/10/573885310.db2.gz UHWRANSESFPNCM-UHFFFAOYSA-N 0 0 191.230 1.232 10 0 ADAERN NCc1nc(-c2cccc(O)c2)co1 257892926 573885335 /nfs/dbraw/zinc/88/53/35/573885335.db2.gz XMTCMYBYMALYEP-UHFFFAOYSA-N 0 0 190.202 1.506 10 0 ADAERN N#CNC(=N)N(C#N)C1CCCCC1 238554969 573885360 /nfs/dbraw/zinc/88/53/60/573885360.db2.gz JEKCASOAOBQGDV-UHFFFAOYSA-N 0 0 191.238 1.108 10 0 ADAERN CCOc1ccc(ON)cc1 76589545 573885406 /nfs/dbraw/zinc/88/54/06/573885406.db2.gz WTCDWRLEHDBEAI-UHFFFAOYSA-N 0 0 153.181 1.338 10 0 ADAERN Cc1cn2cc(CO)sc2n1 238554135 573885411 /nfs/dbraw/zinc/88/54/11/573885411.db2.gz SQQKPLXZVLRTJO-UHFFFAOYSA-N 0 0 168.221 1.197 10 0 ADAERN CC(=O)c1cnc(-c2ncc[nH]2)s1 87342422 573885429 /nfs/dbraw/zinc/88/54/29/573885429.db2.gz VIRPRLWCALSHIW-UHFFFAOYSA-N 0 0 193.231 1.736 10 0 ADAERN Nc1cc(C[C@@H]2CC[C@H]3C[C@@H]23)on1 717570054 573885435 /nfs/dbraw/zinc/88/54/35/573885435.db2.gz IYZMGPJNBWNSPW-ZKWXMUAHSA-N 0 0 178.235 1.845 10 0 ADAERN Cc1cc(CON)ccc1F 76590505 573885463 /nfs/dbraw/zinc/88/54/63/573885463.db2.gz KQPBWQPKXPDTMD-UHFFFAOYSA-N 0 0 155.172 1.524 10 0 ADAERN C[C@@H]1C(=O)Nc2ccc(N)cc2N1C 259220296 573885465 /nfs/dbraw/zinc/88/54/65/573885465.db2.gz LSMKXSUGODCQRK-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN Cc1coc([C@H](C)O)c1 102080876 573885473 /nfs/dbraw/zinc/88/54/73/573885473.db2.gz LBFMUHAZYALIHU-LURJTMIESA-N 0 0 126.155 1.641 10 0 ADAERN CCn1nnc(C2CCCC2)c1C=O 257893846 573885486 /nfs/dbraw/zinc/88/54/86/573885486.db2.gz XPZJCNDAYGRFOE-UHFFFAOYSA-N 0 0 193.250 1.768 10 0 ADAERN C[NH2+][C@@H]([C@H](C)CC(=O)[O-])C(C)(C)C 259220309 573885925 /nfs/dbraw/zinc/88/59/25/573885925.db2.gz GCMQZDNUBBHXCN-APPZFPTMSA-N 0 0 187.283 1.731 10 0 ADAERN C[NH2+][C@@H](C1CCC1)[C@@H](C)C(=O)[O-] 259220318 573885544 /nfs/dbraw/zinc/88/55/44/573885544.db2.gz GCNGJSOWHBQGSN-HTRCEHHLSA-N 0 0 171.240 1.095 10 0 ADAERN Cc1cc([C@H](O)c2ncc[nH]2)cs1 87339899 573885591 /nfs/dbraw/zinc/88/55/91/573885591.db2.gz FLQKVLWBQVOLAI-QMMMGPOBSA-N 0 0 194.259 1.861 10 0 ADAERN Cc1ccc(C(=O)CNC=O)cc1C 238549591 573885595 /nfs/dbraw/zinc/88/55/95/573885595.db2.gz GOAZARZLWSBGJP-UHFFFAOYSA-N 0 0 191.230 1.232 10 0 ADAERN N#CN[C@@H]1NC=Cc2ccccc21 238554581 573885604 /nfs/dbraw/zinc/88/56/04/573885604.db2.gz ABIUSIOVOKFNCT-JTQLQIEISA-N 0 0 171.203 1.330 10 0 ADAERN C/C=C\C(=O)N(C)CCOC(C)(C)C 690069353 573885606 /nfs/dbraw/zinc/88/56/06/573885606.db2.gz DHNGWDHOWLUZOC-SREVYHEPSA-N 0 0 199.294 1.836 10 0 ADAERN OCCN1CCNc2cccc(F)c21 258171836 573885607 /nfs/dbraw/zinc/88/56/07/573885607.db2.gz OAUXGNBZHBPTND-UHFFFAOYSA-N 0 0 196.225 1.050 10 0 ADAERN Cc1ccc([C@@H](O)c2ncc[nH]2)s1 87340331 573885621 /nfs/dbraw/zinc/88/56/21/573885621.db2.gz ROQHFTSMLHZNCQ-MRVPVSSYSA-N 0 0 194.259 1.861 10 0 ADAERN Cc1cccc2c(CON)cn(C)c12 258172135 573885625 /nfs/dbraw/zinc/88/56/25/573885625.db2.gz MHOBDOCHNPJXOR-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN OC1CC(c2nc(C3CC3)no2)C1 84421251 573885628 /nfs/dbraw/zinc/88/56/28/573885628.db2.gz KHFBVTMJNGOYGO-UHFFFAOYSA-N 0 0 180.207 1.185 10 0 ADAERN C[C@@H](O)c1noc(Cc2ccco2)n1 257893047 573885636 /nfs/dbraw/zinc/88/56/36/573885636.db2.gz CQSAAZIOGYPCGZ-ZCFIWIBFSA-N 0 0 194.190 1.307 10 0 ADAERN CC[C@H](CCCC(=O)[O-])[NH2+]C 259577225 573885657 /nfs/dbraw/zinc/88/56/57/573885657.db2.gz XAEUYOUEZJGYBK-SSDOTTSWSA-N 0 0 159.229 1.239 10 0 ADAERN C[C@H]([NH3+])c1cnc(-c2ncc[nH]2)s1 87342462 573885669 /nfs/dbraw/zinc/88/56/69/573885669.db2.gz YWYDTFJCQXZWFU-YFKPBYRVSA-N 0 0 194.263 1.553 10 0 ADAERN Cc1nc(N)cc(C=O)c1C(F)F 238549547 573885681 /nfs/dbraw/zinc/88/56/81/573885681.db2.gz CQGLZVVISNHSRW-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C=CSc1c[nH]c(=O)o1 145048768 573885682 /nfs/dbraw/zinc/88/56/82/573885682.db2.gz ACDWFEHCLDOOSA-UHFFFAOYSA-N 0 0 143.167 1.204 10 0 ADAERN CC1=NO[C@H]2CCCCC(=O)[C@H]12 144910728 573885725 /nfs/dbraw/zinc/88/57/25/573885725.db2.gz BJMZAEIFIHKGBE-IUCAKERBSA-N 0 0 167.208 1.520 10 0 ADAERN Cc1c(N)cccc1NC1CC(O)C1 84421942 573885731 /nfs/dbraw/zinc/88/57/31/573885731.db2.gz ZWCYRHNFPOKPFP-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN CC1=C[C@@H]2[C@@H](O)CC[C@@H]12 238179748 573885732 /nfs/dbraw/zinc/88/57/32/573885732.db2.gz HCPDIGUAWVVHGT-FXQIFTODSA-N 0 0 124.183 1.333 10 0 ADAERN O=C1CCSC[C@@H](C2CCC2)N1 257893631 573885741 /nfs/dbraw/zinc/88/57/41/573885741.db2.gz NUWZLORTDWPUFN-QMMMGPOBSA-N 0 0 185.292 1.408 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@H]1CCCO1 258445193 573885747 /nfs/dbraw/zinc/88/57/47/573885747.db2.gz FINZXHOTJUXCTA-RNJXMRFFSA-N 0 0 162.204 1.274 10 0 ADAERN CC[C@@H](C)n1ccnc1C(N)=S 87343815 573885751 /nfs/dbraw/zinc/88/57/51/573885751.db2.gz MXYYPERSZGVOPZ-ZCFIWIBFSA-N 0 0 183.280 1.488 10 0 ADAERN CC1=C[C@H]2[C@H](C[C@H]2O)C1(C)C 238179982 573885762 /nfs/dbraw/zinc/88/57/62/573885762.db2.gz RXTHDYDYERDLCA-XHNCKOQMSA-N 0 0 152.237 1.970 10 0 ADAERN Cc1cc(N)ccc1NC1CC(O)C1 84422024 573885772 /nfs/dbraw/zinc/88/57/72/573885772.db2.gz GUCUIFTXLVCQFI-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN CCN(CC(F)(F)F)[C@H](C)[C@@H](C)O 44163725 573885774 /nfs/dbraw/zinc/88/57/74/573885774.db2.gz MQDDGTJWDLRQQE-RNFRBKRXSA-N 0 0 199.216 1.640 10 0 ADAERN O[C@@H]1CC[C@@H]2OC(C3CCC3)=N[C@@H]2C1 257892948 573885799 /nfs/dbraw/zinc/88/57/99/573885799.db2.gz GSPJZFWXCWULFI-BBBLOLIVSA-N 0 0 195.262 1.497 10 0 ADAERN C[C@H]1C[C@@H]1c1noc(C2CC(O)C2)n1 84421392 573885800 /nfs/dbraw/zinc/88/58/00/573885800.db2.gz MSONSUGOOWATPU-UMULYZNJSA-N 0 0 194.234 1.431 10 0 ADAERN O=c1[nH]cc([C@@H]2CO2)cc1Cl 238549410 573885806 /nfs/dbraw/zinc/88/58/06/573885806.db2.gz NYDWULYGZXZEKS-LURJTMIESA-N 0 0 171.583 1.100 10 0 ADAERN Nc1cc(C[C@@H]2CC[C@@H]3C[C@H]23)on1 717570048 573885807 /nfs/dbraw/zinc/88/58/07/573885807.db2.gz IYZMGPJNBWNSPW-LKEWCRSYSA-N 0 0 178.235 1.845 10 0 ADAERN Cc1cc([C@@H](O)c2ncc[nH]2)cs1 87339901 573885808 /nfs/dbraw/zinc/88/58/08/573885808.db2.gz FLQKVLWBQVOLAI-MRVPVSSYSA-N 0 0 194.259 1.861 10 0 ADAERN O=C1C[C@H](c2cc(Cl)ccn2)CN1 238554386 573885813 /nfs/dbraw/zinc/88/58/13/573885813.db2.gz DXIMXONTIZSIAS-LURJTMIESA-N 0 0 196.637 1.339 10 0 ADAERN CC[C@@H](C)c1noc(C2CC(O)C2)n1 84421221 573885818 /nfs/dbraw/zinc/88/58/18/573885818.db2.gz AJNAQJUGSAFTAC-JECWYVHBSA-N 0 0 196.250 1.821 10 0 ADAERN Cc1ccc([C@H](N)c2ncc[nH]2)s1 87340967 573885823 /nfs/dbraw/zinc/88/58/23/573885823.db2.gz LEEORLIPFNBCRZ-QMMMGPOBSA-N 0 0 193.275 1.828 10 0 ADAERN N#CN=c1[nH]c2c(o1)CCCC2 238554812 573885847 /nfs/dbraw/zinc/88/58/47/573885847.db2.gz UNQPJGIWJGHLDK-UHFFFAOYSA-N 0 0 163.180 1.446 10 0 ADAERN CCc1cc(=O)[nH]c(-c2ncc[nH]2)n1 87339152 573885886 /nfs/dbraw/zinc/88/58/86/573885886.db2.gz VZKBIFMSKGEIQJ-UHFFFAOYSA-N 0 0 190.206 1.135 10 0 ADAERN CC(C)[C@@H]1CC[C@@]2(C)OC(N)=N[C@@H]2C1 238182329 573885904 /nfs/dbraw/zinc/88/59/04/573885904.db2.gz HQWRAYLBPOTMOH-FXPVBKGRSA-N 0 0 196.294 1.915 10 0 ADAERN [NH3+]C1(c2cc(F)c([O-])cc2F)CC1 238561586 573890031 /nfs/dbraw/zinc/89/00/31/573890031.db2.gz WYJHGPUPQPDPHL-UHFFFAOYSA-N 0 0 185.173 1.618 10 0 ADAERN CCC[C@H](O)[C@H](CC)n1cccn1 44182684 573890033 /nfs/dbraw/zinc/89/00/33/573890033.db2.gz ZKCINFZZHUHPGX-UWVGGRQHSA-N 0 0 182.267 1.995 10 0 ADAERN Cc1cccc([C@@H]([NH3+])/C=C/C(=O)[O-])c1 259221229 573890059 /nfs/dbraw/zinc/89/00/59/573890059.db2.gz FEKGSRQXOGSDEI-PORFMDCZSA-N 0 0 191.230 1.636 10 0 ADAERN CC(=O)C1=C(O)C[C@@H](C)CC1 197107968 573890086 /nfs/dbraw/zinc/89/00/86/573890086.db2.gz GUVXBBCECQQPQU-XPUUQOCRSA-N 0 0 154.209 1.581 10 0 ADAERN O=Cc1c[nH]nc1[C@H]1CCCCO1 257894791 573890092 /nfs/dbraw/zinc/89/00/92/573890092.db2.gz OANRHDGAIDKQRK-MRVPVSSYSA-N 0 0 180.207 1.464 10 0 ADAERN N=C1NC(=O)C(c2cccs2)S1 238562760 573890095 /nfs/dbraw/zinc/89/00/95/573890095.db2.gz ONSGQPJWLDBPND-YFKPBYRVSA-N 0 0 198.272 1.587 10 0 ADAERN C[C@@H](O)c1cnc(-c2ncc[nH]2)s1 87342594 573890107 /nfs/dbraw/zinc/89/01/07/573890107.db2.gz SYYSDFYOHAFVFX-RXMQYKEDSA-N 0 0 195.247 1.587 10 0 ADAERN CC1=C[C@@](C)(c2ccccc2)NC1=O 238180439 573890112 /nfs/dbraw/zinc/89/01/12/573890112.db2.gz QQEFMBCWYRGUHZ-LBPRGKRZSA-N 0 0 187.242 1.978 10 0 ADAERN CC(C)Cn1ccnc1C(N)=S 87343481 573890114 /nfs/dbraw/zinc/89/01/14/573890114.db2.gz CFKCCXYBMGSCDB-UHFFFAOYSA-N 0 0 183.280 1.173 10 0 ADAERN Cc1ccncc1[C@H](O)c1ncc[nH]1 87339815 573889417 /nfs/dbraw/zinc/88/94/17/573889417.db2.gz BGFPUPIKLONAAA-VIFPVBQESA-N 0 0 189.218 1.195 10 0 ADAERN CCCCCCN1CN[C@@H](C)C1=O 127521921 573889423 /nfs/dbraw/zinc/88/94/23/573889423.db2.gz PLNFCRTWFYVWSF-VIFPVBQESA-N 0 0 184.283 1.345 10 0 ADAERN OCc1cnc(-c2ncc[nH]2)s1 87344615 573889425 /nfs/dbraw/zinc/88/94/25/573889425.db2.gz HPSUNADTCUPQTP-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN C[C@@H](N)C(F)(F)c1cc[nH]c1 258986893 573889428 /nfs/dbraw/zinc/88/94/28/573889428.db2.gz AKWQYNTUOMYYRS-RXMQYKEDSA-N 0 0 160.167 1.454 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@H](C(=O)[O-])C(C)C 259223683 573889435 /nfs/dbraw/zinc/88/94/35/573889435.db2.gz FHNQIHONTSQTEY-DTWKUNHWSA-N 0 0 187.283 1.717 10 0 ADAERN C[C@@H]1Cc2c(C=O)cccc2O1 76594195 573889449 /nfs/dbraw/zinc/88/94/49/573889449.db2.gz AOXMIMCJNIZRDH-SSDOTTSWSA-N 0 0 162.188 1.823 10 0 ADAERN Cc1ccsc1[C@H](O)c1ncc[nH]1 87339834 573889463 /nfs/dbraw/zinc/88/94/63/573889463.db2.gz RLVMGUFYCWSPEE-ZETCQYMHSA-N 0 0 194.259 1.861 10 0 ADAERN c1csc(-c2ccon2)n1 102185176 573889465 /nfs/dbraw/zinc/88/94/65/573889465.db2.gz ZMRZACGVYSJJLD-UHFFFAOYSA-N 0 0 152.178 1.798 10 0 ADAERN Cc1ccc(C(=O)CN)c(F)c1 84428534 573889466 /nfs/dbraw/zinc/88/94/66/573889466.db2.gz UOCRNZCMUPDEIW-UHFFFAOYSA-N 0 0 167.183 1.276 10 0 ADAERN CN1CC[C@](F)(c2ccccc2O)C1 257894871 573889469 /nfs/dbraw/zinc/88/94/69/573889469.db2.gz XUGPDCVNOVJEER-LLVKDONJSA-N 0 0 195.237 1.893 10 0 ADAERN Cc1cccc([C@H]([NH3+])/C=C/C(=O)[O-])c1 259221223 573889487 /nfs/dbraw/zinc/88/94/87/573889487.db2.gz FEKGSRQXOGSDEI-BRAIEQGRSA-N 0 0 191.230 1.636 10 0 ADAERN Cc1cc([C@H](N)c2ncc[nH]2)cs1 87340421 573889491 /nfs/dbraw/zinc/88/94/91/573889491.db2.gz JYSKGVMIZVTMRS-QMMMGPOBSA-N 0 0 193.275 1.828 10 0 ADAERN CC[C@H](O)c1noc([C@@H]2C[C@H]2OC)n1 690070451 573889494 /nfs/dbraw/zinc/88/94/94/573889494.db2.gz AXYFBIHRCMKSCC-DSYKOEDSSA-N 0 0 198.222 1.015 10 0 ADAERN Nc1csc(NC2CCCCC2)n1 238562084 573889501 /nfs/dbraw/zinc/88/95/01/573889501.db2.gz NVNIXGBTQCRWKJ-UHFFFAOYSA-N 0 0 197.307 1.989 10 0 ADAERN O[C@@H](Cc1ccccc1)c1ncc[nH]1 87340022 573889504 /nfs/dbraw/zinc/88/95/04/573889504.db2.gz LHETUUWISPHUOL-JTQLQIEISA-N 0 0 188.230 1.686 10 0 ADAERN CCOCc1nc(N)cn1CC 257894123 573889522 /nfs/dbraw/zinc/88/95/22/573889522.db2.gz MYIOWLYAFKAYBF-UHFFFAOYSA-N 0 0 169.228 1.022 10 0 ADAERN N[C@@H](c1ncc[nH]1)c1ccco1 87340951 573889530 /nfs/dbraw/zinc/88/95/30/573889530.db2.gz QWICLDQSKHLAJA-SSDOTTSWSA-N 0 0 163.180 1.051 10 0 ADAERN CC1=C[C@@]2(C)CC(=O)[C@@H]2C1 238180621 573889532 /nfs/dbraw/zinc/88/95/32/573889532.db2.gz VCBGVMJGBLWTMD-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN C[C@@H](CC[N@H+](C)C1CCCC1)C(=O)[O-] 258989964 573889538 /nfs/dbraw/zinc/88/95/38/573889538.db2.gz ZAYLRECYUYOWDZ-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H](CC[N@H+](C)C1CCCC1)C(=O)[O-] 258989961 573889549 /nfs/dbraw/zinc/88/95/49/573889549.db2.gz ZAYLRECYUYOWDZ-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ccsc1[C@@H](N)c1ncc[nH]1 87340921 573889550 /nfs/dbraw/zinc/88/95/50/573889550.db2.gz JCYDQCJKXJCASO-SSDOTTSWSA-N 0 0 193.275 1.828 10 0 ADAERN CC1(C)OC[C@@H]([C@H](O)c2ccc[nH]2)O1 238181184 573889556 /nfs/dbraw/zinc/88/95/56/573889556.db2.gz LMPMZCRRXBTATP-DTWKUNHWSA-N 0 0 197.234 1.200 10 0 ADAERN O=C(CC1CCC1)c1ncc[nH]1 87339291 573889562 /nfs/dbraw/zinc/88/95/62/573889562.db2.gz WSBASFVFVHMXMH-UHFFFAOYSA-N 0 0 164.208 1.783 10 0 ADAERN C[C@@H]1Sc2cccc(N)c2NC1=O 259223746 573889577 /nfs/dbraw/zinc/88/95/77/573889577.db2.gz LWHWTTSNNQIRRT-YFKPBYRVSA-N 0 0 194.259 1.702 10 0 ADAERN N[C@H](c1ncc[nH]1)c1cccs1 87340840 573889584 /nfs/dbraw/zinc/88/95/84/573889584.db2.gz GBCQOUAZPKXDDX-ZETCQYMHSA-N 0 0 179.248 1.519 10 0 ADAERN N[C@H](c1cccc(F)c1)c1ncc[nH]1 87340700 573889603 /nfs/dbraw/zinc/88/96/03/573889603.db2.gz SJIVSTPNKMQKDZ-SECBINFHSA-N 0 0 191.209 1.597 10 0 ADAERN O[C@H](Cc1cccs1)c1ncc[nH]1 87340368 573889614 /nfs/dbraw/zinc/88/96/14/573889614.db2.gz NFQHOWTULXZYAI-MRVPVSSYSA-N 0 0 194.259 1.747 10 0 ADAERN NC(=O)[C@H]1CC[C@H]2C=CC[C@@H]1S2 238562544 573889639 /nfs/dbraw/zinc/88/96/39/573889639.db2.gz AUYLZHRBWVPIJL-CSMHCCOUSA-N 0 0 183.276 1.312 10 0 ADAERN CC1(C)CC(=O)NC(=S)S1 238181161 573889644 /nfs/dbraw/zinc/88/96/44/573889644.db2.gz SVDKBICGPCOOEL-UHFFFAOYSA-N 0 0 175.278 1.303 10 0 ADAERN NC(=O)n1ncc2ccc(Cl)cc21 238562783 573889646 /nfs/dbraw/zinc/88/96/46/573889646.db2.gz KRGJFQFNKOCVSS-UHFFFAOYSA-N 0 0 195.609 1.617 10 0 ADAERN c1coc(Cc2nc3ccccn3n2)c1 257894179 573889654 /nfs/dbraw/zinc/88/96/54/573889654.db2.gz GZFBFBHHYHTVJN-UHFFFAOYSA-N 0 0 199.213 1.913 10 0 ADAERN CC/C(Cl)=C(\C)CO 238180752 573889670 /nfs/dbraw/zinc/88/96/70/573889670.db2.gz GBBSJEWVGMHAMD-WAYWQWQTSA-N 0 0 134.606 1.902 10 0 ADAERN OCc1csc(-c2ncc[nH]2)n1 87344613 573889671 /nfs/dbraw/zinc/88/96/71/573889671.db2.gz LEQYRUMXHNKGHE-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN CC(C)Cc1ccc(N)c(=O)n1C 257894753 573889674 /nfs/dbraw/zinc/88/96/74/573889674.db2.gz NYWYGCLCIBZETC-UHFFFAOYSA-N 0 0 180.251 1.166 10 0 ADAERN COC(=O)c1cc(C)c(C=O)c(C)c1 145045956 573889678 /nfs/dbraw/zinc/88/96/78/573889678.db2.gz JXUFGZSFTGZZNF-UHFFFAOYSA-N 0 0 192.214 1.903 10 0 ADAERN NC(=O)[C@H]1CC[C@H]1Cc1ccccc1 238562777 573889682 /nfs/dbraw/zinc/88/96/82/573889682.db2.gz WWSIIZGZSXMOTN-QWRGUYRKSA-N 0 0 189.258 1.741 10 0 ADAERN CC1=C[C@@]2(C)NC(=O)[C@]2(C)C1 238180933 573889688 /nfs/dbraw/zinc/88/96/88/573889688.db2.gz NPFABTVPCQULJV-DTWKUNHWSA-N 0 0 151.209 1.231 10 0 ADAERN CCNc1ncc(F)c(NC)n1 84442621 573889706 /nfs/dbraw/zinc/88/97/06/573889706.db2.gz QDBHUHZWWAWXCU-UHFFFAOYSA-N 0 0 170.191 1.089 10 0 ADAERN CC(C)C[C@@H]1CSCC1=O 76593197 573889707 /nfs/dbraw/zinc/88/97/07/573889707.db2.gz NRUCIVRGHCESHH-SSDOTTSWSA-N 0 0 158.266 1.965 10 0 ADAERN CC(C)C[C@H]1CSCC1=O 76593199 573889734 /nfs/dbraw/zinc/88/97/34/573889734.db2.gz NRUCIVRGHCESHH-ZETCQYMHSA-N 0 0 158.266 1.965 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CCC(=O)C1 238180938 573889746 /nfs/dbraw/zinc/88/97/46/573889746.db2.gz XLMSPPMWLSLJIY-IONNQARKSA-N 0 0 170.252 1.763 10 0 ADAERN CCO[C@@H]1C[C@H]1c1nnc(C)[nH]1 690070445 573889748 /nfs/dbraw/zinc/88/97/48/573889748.db2.gz AXXKSIFIKPJKPA-RNFRBKRXSA-N 0 0 167.212 1.006 10 0 ADAERN C[C@H](COc1cccc(F)c1)C(N)=O 41207471 573889779 /nfs/dbraw/zinc/88/97/79/573889779.db2.gz DEQOUHZSOFKBET-SSDOTTSWSA-N 0 0 197.209 1.326 10 0 ADAERN CC[C@H]([NH2+]C)c1ncc[nH]1 87341613 573889802 /nfs/dbraw/zinc/88/98/02/573889802.db2.gz XJHHUWZLNHZYOD-LURJTMIESA-N 0 0 139.202 1.080 10 0 ADAERN CC1(C)CNc2cccc(O)c2O1 259220953 573889824 /nfs/dbraw/zinc/88/98/24/573889824.db2.gz LVPDCUJXEVTHEE-UHFFFAOYSA-N 0 0 179.219 1.975 10 0 ADAERN CNc1nccc(NC2CC2)n1 84427728 573889830 /nfs/dbraw/zinc/88/98/30/573889830.db2.gz QCNMTHICEOHUKE-UHFFFAOYSA-N 0 0 164.212 1.093 10 0 ADAERN CNc1cc(C)nc(-c2ncc[nH]2)n1 87342792 573889840 /nfs/dbraw/zinc/88/98/40/573889840.db2.gz OUASIFKVLOZRLJ-UHFFFAOYSA-N 0 0 189.222 1.217 10 0 ADAERN CC[C@H](C)[C@H]1COCCC1=O 76591757 573889843 /nfs/dbraw/zinc/88/98/43/573889843.db2.gz VKZYGQNLOYHTCV-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN C[C@@H](F)[C@@]([NH3+])(C(=O)[O-])C(C)(C)C 257894755 573889849 /nfs/dbraw/zinc/88/98/49/573889849.db2.gz NYZDTTDDWNBHMV-SVGQVSJJSA-N 0 0 177.219 1.173 10 0 ADAERN CCCCCO[C@@H](C)[C@@H](C)O 44235657 573889855 /nfs/dbraw/zinc/88/98/55/573889855.db2.gz CJSLGFAWNVOWIO-BDAKNGLRSA-N 0 0 160.257 1.963 10 0 ADAERN Cc1ccc(-c2cnc(N)cn2)o1 238560960 573889857 /nfs/dbraw/zinc/88/98/57/573889857.db2.gz STRATJYHNNAYKJ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 259221106 573889866 /nfs/dbraw/zinc/88/98/66/573889866.db2.gz LWHRIGKJNKSJBG-SNVBAGLBSA-N 0 0 195.266 1.059 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H]1c1nc(N)no1 257894556 573889867 /nfs/dbraw/zinc/88/98/67/573889867.db2.gz CXAVWYXRPFDCPQ-ZETCQYMHSA-N 0 0 196.254 1.197 10 0 ADAERN COC(=O)C1(CON)CCCCC1 257894714 573889890 /nfs/dbraw/zinc/88/98/90/573889890.db2.gz NXPHGGKTSDKPIP-UHFFFAOYSA-N 0 0 187.239 1.000 10 0 ADAERN NOCc1cccc2c1OCCCO2 258173722 573889895 /nfs/dbraw/zinc/88/98/95/573889895.db2.gz WAWMRFVENMKLAW-UHFFFAOYSA-N 0 0 195.218 1.238 10 0 ADAERN CC[C@@H](O)[C@H](C)OCC1CC1 44231949 573889904 /nfs/dbraw/zinc/88/99/04/573889904.db2.gz JUDCAGZLSICWAM-IONNQARKSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1ccc([C@@H](N)c2ncc[nH]2)s1 87340968 573889911 /nfs/dbraw/zinc/88/99/11/573889911.db2.gz LEEORLIPFNBCRZ-MRVPVSSYSA-N 0 0 193.275 1.828 10 0 ADAERN CCCNc1ccnc(NC)n1 84428447 573889918 /nfs/dbraw/zinc/88/99/18/573889918.db2.gz UAIGLZZWOLYHOS-UHFFFAOYSA-N 0 0 166.228 1.340 10 0 ADAERN C[C@@H]([NH3+])c1csc(-c2ncc[nH]2)n1 87342479 573889921 /nfs/dbraw/zinc/88/99/21/573889921.db2.gz AYADPXPGIJWFQN-RXMQYKEDSA-N 0 0 194.263 1.553 10 0 ADAERN CCC[NH2+]CC(C)(C)C(=O)[O-] 84427346 573889935 /nfs/dbraw/zinc/88/99/35/573889935.db2.gz DLMQMVPMQWBDFQ-UHFFFAOYSA-N 0 0 159.229 1.097 10 0 ADAERN C[C@H](F)[C@]([NH3+])(C(=O)[O-])C(C)(C)C 257894756 573889958 /nfs/dbraw/zinc/88/99/58/573889958.db2.gz NYZDTTDDWNBHMV-XNCJUZBTSA-N 0 0 177.219 1.173 10 0 ADAERN Cc1cccc(-n2ccnc2C[NH3+])n1 87343397 573889967 /nfs/dbraw/zinc/88/99/67/573889967.db2.gz GETLPFDOWWMJMA-UHFFFAOYSA-N 0 0 188.234 1.034 10 0 ADAERN Nc1cccc(-c2coc(N)n2)c1 257894699 573889978 /nfs/dbraw/zinc/88/99/78/573889978.db2.gz NXIXQBHJGUYCDF-UHFFFAOYSA-N 0 0 175.191 1.506 10 0 ADAERN O=C(Cc1ccncc1)c1ncc[nH]1 87339441 573889982 /nfs/dbraw/zinc/88/99/82/573889982.db2.gz ZWUHLCBGOWRKHK-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN CO[C@H]1CC(=O)c2ccccc21 144963690 573889985 /nfs/dbraw/zinc/88/99/85/573889985.db2.gz VQFGUCCRMISZRV-JTQLQIEISA-N 0 0 162.188 1.961 10 0 ADAERN COC(=O)NC[C@@H](C)C(C)C 125381422 573889996 /nfs/dbraw/zinc/88/99/96/573889996.db2.gz OFPWUINVUIPVQH-SSDOTTSWSA-N 0 0 159.229 1.635 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@@H](C(=O)[O-])C(C)C 259223685 573893829 /nfs/dbraw/zinc/89/38/29/573893829.db2.gz FHNQIHONTSQTEY-IUCAKERBSA-N 0 0 187.283 1.717 10 0 ADAERN Oc1cc(F)c2c(c1)CCCO2 144947934 573893833 /nfs/dbraw/zinc/89/38/33/573893833.db2.gz WWUGXZBGFFDYIM-UHFFFAOYSA-N 0 0 168.167 1.856 10 0 ADAERN CSCC(=O)O[C@@H](C)C(F)F 393596412 573893849 /nfs/dbraw/zinc/89/38/49/573893849.db2.gz ZYOHICKPSXGJMI-BYPYZUCNSA-N 0 0 184.207 1.546 10 0 ADAERN CC(=O)[C@@H](O)c1ccc(Cl)cc1 84449257 573893859 /nfs/dbraw/zinc/89/38/59/573893859.db2.gz FGDWKJQEZLTPQJ-SECBINFHSA-N 0 0 184.622 1.962 10 0 ADAERN CCN(CC)c1cncc(NC)c1 84446068 573893881 /nfs/dbraw/zinc/89/38/81/573893881.db2.gz NAFYITSVACRLAG-UHFFFAOYSA-N 0 0 179.267 1.970 10 0 ADAERN C[C@H](CO)c1cccc2cnn(C)c12 258173815 573893890 /nfs/dbraw/zinc/89/38/90/573893890.db2.gz WCDRLNDGABPJTN-MRVPVSSYSA-N 0 0 190.246 1.669 10 0 ADAERN O=C1CCCc2cnccc2C1 145001565 573893200 /nfs/dbraw/zinc/89/32/00/573893200.db2.gz LBIXCWGPVISDTA-UHFFFAOYSA-N 0 0 161.204 1.530 10 0 ADAERN C[C@H](O)c1cccc(OCCCO)c1 41207333 573893205 /nfs/dbraw/zinc/89/32/05/573893205.db2.gz DRMCVXUVARFDBP-VIFPVBQESA-N 0 0 196.246 1.501 10 0 ADAERN Cc1cc(Cl)cc(C(=O)CN)c1 84448209 573893217 /nfs/dbraw/zinc/89/32/17/573893217.db2.gz LXQOYUDNZKQSNC-UHFFFAOYSA-N 0 0 183.638 1.790 10 0 ADAERN CC[C@@H](O)[C@H](C)OCCCOC 44190201 573893229 /nfs/dbraw/zinc/89/32/29/573893229.db2.gz XTJXKGJGPQTPJW-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN CC12CCC(CC1)[C@@]2(C)C(N)=O 238180781 573893231 /nfs/dbraw/zinc/89/32/31/573893231.db2.gz PBPPGCXYXBZHRS-GDRRJGKNSA-N 0 0 167.252 1.688 10 0 ADAERN CCc1c(C)nn(CC[C@@H](C)O)c1C 44187967 573893255 /nfs/dbraw/zinc/89/32/55/573893255.db2.gz UUGBCMJGGVRMKE-MRVPVSSYSA-N 0 0 196.294 1.833 10 0 ADAERN C[C@H]1C(=O)N[C@H]2CCCC[C@@H]21 144933122 573893258 /nfs/dbraw/zinc/89/32/58/573893258.db2.gz MJLAOVZVESNDMT-PRJMDXOYSA-N 0 0 153.225 1.311 10 0 ADAERN Cc1cc(C=O)c2c(c1)OCCO2 257894741 573893261 /nfs/dbraw/zinc/89/32/61/573893261.db2.gz NYRMYHYEUJVLHI-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN CCC[C@@H](O)[C@H](CC)n1ccnc1 44180563 573893263 /nfs/dbraw/zinc/89/32/63/573893263.db2.gz RARLVXIDHIYWFY-VHSXEESVSA-N 0 0 182.267 1.995 10 0 ADAERN CC(C)(O)C[C@@H]1[C@@H](CO)C1(C)C 238180957 573893284 /nfs/dbraw/zinc/89/32/84/573893284.db2.gz PTNKIDPPRZBTQX-HTQZYQBOSA-N 0 0 172.268 1.412 10 0 ADAERN COC[C@@]1(C)CC(=O)C(C)(C)O1 144997759 573893293 /nfs/dbraw/zinc/89/32/93/573893293.db2.gz HZTLANXXIJAZEF-SECBINFHSA-N 0 0 172.224 1.160 10 0 ADAERN CC[C@@H](C)[C@@H]1COCCC1=O 76591748 573893298 /nfs/dbraw/zinc/89/32/98/573893298.db2.gz VKZYGQNLOYHTCV-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN CCC(CC)Nc1ncnc(N)n1 238180546 573893307 /nfs/dbraw/zinc/89/33/07/573893307.db2.gz NPDCNEPXSXPHBZ-UHFFFAOYSA-N 0 0 181.243 1.054 10 0 ADAERN C[C@H]1NCN(C2CCCCC2)C1=O 84447557 573893312 /nfs/dbraw/zinc/89/33/12/573893312.db2.gz XHOQKUXWEXKHKW-MRVPVSSYSA-N 0 0 182.267 1.097 10 0 ADAERN O=C(c1cccc(F)c1)[C@H]1CO1 144938535 573893314 /nfs/dbraw/zinc/89/33/14/573893314.db2.gz YMJOALBKJDBPSZ-MRVPVSSYSA-N 0 0 166.151 1.407 10 0 ADAERN Cn1cc(N)c(-c2cccs2)n1 84445583 573893335 /nfs/dbraw/zinc/89/33/35/573893335.db2.gz XWYACBRIWLXKTL-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN ClC1(C2CCC2)COC1 258987190 573893339 /nfs/dbraw/zinc/89/33/39/573893339.db2.gz ANQCDJAHKPIOTL-UHFFFAOYSA-N 0 0 146.617 1.794 10 0 ADAERN CN[C@@H](N)c1ccccc1F 259223773 573893342 /nfs/dbraw/zinc/89/33/42/573893342.db2.gz FIDZBPVTOUOXRI-MRVPVSSYSA-N 0 0 154.188 1.002 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1ccco1 123005019 573893368 /nfs/dbraw/zinc/89/33/68/573893368.db2.gz NDPREJZHOYBQNA-XVKPBYJWSA-N 0 0 180.203 1.887 10 0 ADAERN CCC[C@H](O)[C@@H](CC)n1ccnc1 44180557 573893372 /nfs/dbraw/zinc/89/33/72/573893372.db2.gz RARLVXIDHIYWFY-ZJUUUORDSA-N 0 0 182.267 1.995 10 0 ADAERN O=CNc1cccs1 80310446 573893378 /nfs/dbraw/zinc/89/33/78/573893378.db2.gz SQICNHICBKAAHF-UHFFFAOYSA-N 0 0 127.168 1.316 10 0 ADAERN CCNc1nccc(NC2CC2)n1 84444988 573893389 /nfs/dbraw/zinc/89/33/89/573893389.db2.gz OWAPECMEMMMPKG-UHFFFAOYSA-N 0 0 178.239 1.483 10 0 ADAERN O=C1C[C@@H]2CSCC[C@H]2C1 76591920 573893390 /nfs/dbraw/zinc/89/33/90/573893390.db2.gz BKTFLFZTWZLJSE-NKWVEPMBSA-N 0 0 156.250 1.719 10 0 ADAERN CCCCNc1ccnc(NC)n1 84446419 573893401 /nfs/dbraw/zinc/89/34/01/573893401.db2.gz WKMIPCVDXPRDDD-UHFFFAOYSA-N 0 0 180.255 1.730 10 0 ADAERN COc1ccccc1C(=O)[C@@H](C)O 84446155 573893414 /nfs/dbraw/zinc/89/34/14/573893414.db2.gz NGWBEALIWVUZLE-SSDOTTSWSA-N 0 0 180.203 1.259 10 0 ADAERN OCCc1nc(-c2cc[nH]c2)cs1 259222762 573893434 /nfs/dbraw/zinc/89/34/34/573893434.db2.gz LZLZEDPIQAJEKN-UHFFFAOYSA-N 0 0 194.259 1.673 10 0 ADAERN C[C@H](N)C(F)(F)c1cc[nH]c1 258986896 573893463 /nfs/dbraw/zinc/89/34/63/573893463.db2.gz AKWQYNTUOMYYRS-YFKPBYRVSA-N 0 0 160.167 1.454 10 0 ADAERN CCc1ccccc1C1(O)COC1 150092610 573893491 /nfs/dbraw/zinc/89/34/91/573893491.db2.gz AATDFKVTAZAUSE-UHFFFAOYSA-N 0 0 178.231 1.467 10 0 ADAERN Nc1c(C(F)F)ncc(C[NH3+])c1F 238563170 573893492 /nfs/dbraw/zinc/89/34/92/573893492.db2.gz LOVSLCLUSQVYFE-UHFFFAOYSA-N 0 0 191.156 1.199 10 0 ADAERN O=C1CNCN1C1CCCCCC1 84447551 573893505 /nfs/dbraw/zinc/89/35/05/573893505.db2.gz FEPFMBQSPVHUDH-UHFFFAOYSA-N 0 0 182.267 1.099 10 0 ADAERN NC(=O)n1cc(-c2ccccc2)cn1 238563090 573893520 /nfs/dbraw/zinc/89/35/20/573893520.db2.gz QSJWDZRSRAMASG-UHFFFAOYSA-N 0 0 187.202 1.477 10 0 ADAERN CC[S@@](=O)CCNc1cc[nH+]cc1 217388653 573893533 /nfs/dbraw/zinc/89/35/33/573893533.db2.gz IMIAISVTOIPEKK-CYBMUJFWSA-N 0 0 198.291 1.262 10 0 ADAERN Cc1cc2c(o1)CN(C)CC2=O 76595055 573893538 /nfs/dbraw/zinc/89/35/38/573893538.db2.gz KHSMTDZUSXNRFN-UHFFFAOYSA-N 0 0 165.192 1.216 10 0 ADAERN CC(=O)Oc1cccc2c1CCCN2 80356385 573893548 /nfs/dbraw/zinc/89/35/48/573893548.db2.gz OBUNRANDXAGARZ-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN CC(C)OC(=O)NCc1cn[nH]c1 44240531 573893556 /nfs/dbraw/zinc/89/35/56/573893556.db2.gz UINXBLQZGMMSAP-UHFFFAOYSA-N 0 0 183.211 1.044 10 0 ADAERN NOCc1ccccc1C1(CO)CC1 259577411 573893572 /nfs/dbraw/zinc/89/35/72/573893572.db2.gz XXTRUBILGDIWLE-UHFFFAOYSA-N 0 0 193.246 1.101 10 0 ADAERN CSCC[C@H](C)N=[S@](C)(N)=O 404838051 573893589 /nfs/dbraw/zinc/89/35/89/573893589.db2.gz LMZXWJYUZDUCNT-KGFZYKRKSA-N 0 0 196.341 1.100 10 0 ADAERN CCCc1cnc(NCCCO)nc1 259222522 573893598 /nfs/dbraw/zinc/89/35/98/573893598.db2.gz JKLWOVQFXKEIJX-UHFFFAOYSA-N 0 0 195.266 1.223 10 0 ADAERN CN1CCc2ccc(O)cc2NC1=O 144938993 573893605 /nfs/dbraw/zinc/89/36/05/573893605.db2.gz HUEAQNZOSUNLNY-UHFFFAOYSA-N 0 0 192.218 1.412 10 0 ADAERN Cc1nc([C@@]2(C)CCCO2)oc1C=O 258174141 573893606 /nfs/dbraw/zinc/89/36/06/573893606.db2.gz UNQRRTGBRUXFKA-SNVBAGLBSA-N 0 0 195.218 1.821 10 0 ADAERN CC1([C@](C)(O)c2c[nH+]ccc2N)CC1 87365474 573893613 /nfs/dbraw/zinc/89/36/13/573893613.db2.gz IQVIYDZDIDLXBD-LLVKDONJSA-N 0 0 192.262 1.671 10 0 ADAERN CC1(C)CC(=O)C[C@@]1(C)CO 238180464 573893620 /nfs/dbraw/zinc/89/36/20/573893620.db2.gz IZZVQJSWTORBPA-VIFPVBQESA-N 0 0 156.225 1.374 10 0 ADAERN CC(C)C[C@@H]1CN(C)CCC1=O 76597577 573893629 /nfs/dbraw/zinc/89/36/29/573893629.db2.gz KGZXWZXVUCVJHN-SECBINFHSA-N 0 0 169.268 1.553 10 0 ADAERN CC[C@H](O)[C@@H](C)OC[C@@H]1CCOC1 44237903 573893630 /nfs/dbraw/zinc/89/36/30/573893630.db2.gz WGLVWVJPJJAAJU-BBBLOLIVSA-N 0 0 188.267 1.199 10 0 ADAERN Nc1c(C=O)cnc(C(F)F)c1F 238563712 573893639 /nfs/dbraw/zinc/89/36/39/573893639.db2.gz FBHONJSRQSOXDL-UHFFFAOYSA-N 0 0 190.124 1.553 10 0 ADAERN CC1=C[C@H]([C@@H](O)c2ccoc2)OC1=O 238182397 573893662 /nfs/dbraw/zinc/89/36/62/573893662.db2.gz GUPDPOCEOZWWPL-BDAKNGLRSA-N 0 0 194.186 1.185 10 0 ADAERN CN1CCCc2cccc(CON)c21 258173857 573893664 /nfs/dbraw/zinc/89/36/64/573893664.db2.gz WCOWHXDXFGTKKN-UHFFFAOYSA-N 0 0 192.262 1.459 10 0 ADAERN CC12CCC(CC1)[C@]2(C)C(N)=O 238181140 573893687 /nfs/dbraw/zinc/89/36/87/573893687.db2.gz PBPPGCXYXBZHRS-YXGXMSFMSA-N 0 0 167.252 1.688 10 0 ADAERN NC(=O)n1cc2c(n1)CCCCC2 238563143 573893691 /nfs/dbraw/zinc/89/36/91/573893691.db2.gz JTYKWTKBEQBBCY-UHFFFAOYSA-N 0 0 179.223 1.079 10 0 ADAERN Cc1nc(Cl)c2n1CCC[C@@H]2O 258174262 573893692 /nfs/dbraw/zinc/89/36/92/573893692.db2.gz IGWKEWIZUBYENV-LURJTMIESA-N 0 0 186.642 1.672 10 0 ADAERN O=C1NC[C@H]2C[C@@]12c1ccc(F)s1 238563386 573893697 /nfs/dbraw/zinc/89/36/97/573893697.db2.gz QDMSUJXFZBSHQP-MLUIRONXSA-N 0 0 197.234 1.275 10 0 ADAERN CC(C)C[C@@H]([NH3+])[C@@H](C(=O)[O-])C(C)C 259223680 573893698 /nfs/dbraw/zinc/89/36/98/573893698.db2.gz FHNQIHONTSQTEY-BDAKNGLRSA-N 0 0 187.283 1.717 10 0 ADAERN CCOc1ccc([C@H](O)COC)cc1 44192983 573893705 /nfs/dbraw/zinc/89/37/05/573893705.db2.gz MBVMWOADSGNFDM-LLVKDONJSA-N 0 0 196.246 1.765 10 0 ADAERN CC(=O)c1cc(F)c2c(c1)OCCO2 258173718 573893717 /nfs/dbraw/zinc/89/37/17/573893717.db2.gz WAVPWODPZCIHON-UHFFFAOYSA-N 0 0 196.177 1.800 10 0 ADAERN CCCCCO[C@H]1COCC[C@H]1O 44235638 573893730 /nfs/dbraw/zinc/89/37/30/573893730.db2.gz JTKGWBMPBAHMDR-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN Cc1cc(NC2CC(O)C2)nc(C)n1 84443954 573893734 /nfs/dbraw/zinc/89/37/34/573893734.db2.gz WVNJKKOMHNNMHX-UHFFFAOYSA-N 0 0 193.250 1.029 10 0 ADAERN C=Cc1cccc2c1[C@H]([NH3+])CC2=O 238562957 573893745 /nfs/dbraw/zinc/89/37/45/573893745.db2.gz SHYCHMONCCGABT-SECBINFHSA-N 0 0 173.215 1.916 10 0 ADAERN CC1(C)CC[C@H](O)[C@]2(C)OC(=O)C=C12 145003459 573893747 /nfs/dbraw/zinc/89/37/47/573893747.db2.gz JNNPCJIRIXBHMP-GZMMTYOYSA-N 0 0 196.246 1.409 10 0 ADAERN CN[C@H](N)c1ccccc1F 259223776 573893749 /nfs/dbraw/zinc/89/37/49/573893749.db2.gz FIDZBPVTOUOXRI-QMMMGPOBSA-N 0 0 154.188 1.002 10 0 ADAERN CC1([C@@](C)([NH3+])c2ncon2)CC1 87365287 573893773 /nfs/dbraw/zinc/89/37/73/573893773.db2.gz FNOVZJSYFNVXPM-QMMMGPOBSA-N 0 0 167.212 1.044 10 0 ADAERN CCn1nccc1[C@@](C)(O)C1(C)CC1 87365348 573893785 /nfs/dbraw/zinc/89/37/85/573893785.db2.gz ILADLUNDZNMZCI-LLVKDONJSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@H](n1nccc1N)C1(C)CC1 87363384 573893800 /nfs/dbraw/zinc/89/38/00/573893800.db2.gz CWCHEEBNNRZTPD-ZETCQYMHSA-N 0 0 165.240 1.826 10 0 ADAERN Cc1cc(C)c(CNCNN)c(C)c1 258987177 573893806 /nfs/dbraw/zinc/89/38/06/573893806.db2.gz DANIDUADKUPHAX-UHFFFAOYSA-N 0 0 193.294 1.122 10 0 ADAERN O=Cc1nccc(-c2ccc[nH]2)n1 258987120 573893816 /nfs/dbraw/zinc/89/38/16/573893816.db2.gz BVUVTUKEXGMVAX-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN Cc1nc(NC2CC(O)C2)sc1C 84443768 573894933 /nfs/dbraw/zinc/89/49/33/573894933.db2.gz LBAXILDCMFFUJT-UHFFFAOYSA-N 0 0 198.291 1.695 10 0 ADAERN COc1ccc(C)c(O)c1CCCO 258173591 573894939 /nfs/dbraw/zinc/89/49/39/573894939.db2.gz VYEKJEDEMZKRTD-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN CC(C)CCO[C@@H]1COCC[C@@H]1O 44218054 573894941 /nfs/dbraw/zinc/89/49/41/573894941.db2.gz MTAKGRKZWSOFNO-VHSXEESVSA-N 0 0 188.267 1.199 10 0 ADAERN CCC(CC)C[C@@H]([NH3+])C(=O)[O-] 44283615 573894966 /nfs/dbraw/zinc/89/49/66/573894966.db2.gz FNTZSUXNNTXOEI-SSDOTTSWSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@H](C(=O)OC)c1nc(C)c[nH]1 258993364 573894996 /nfs/dbraw/zinc/89/49/96/573894996.db2.gz BGGMTFPHAJTGHY-ZETCQYMHSA-N 0 0 182.223 1.385 10 0 ADAERN CSCC[C@@H](C)N=[S@](C)(N)=O 404838048 573895017 /nfs/dbraw/zinc/89/50/17/573895017.db2.gz LMZXWJYUZDUCNT-KBUNVGBDSA-N 0 0 196.341 1.100 10 0 ADAERN O=c1nc(-c2cccc(O)c2)o[nH]1 257902387 573895046 /nfs/dbraw/zinc/89/50/46/573895046.db2.gz DPLLWCWTWMSKLK-UHFFFAOYSA-N 0 0 178.147 1.148 10 0 ADAERN O=c1nc(C[C@H]2CCSC2)o[nH]1 257902408 573895063 /nfs/dbraw/zinc/89/50/63/573895063.db2.gz DPUGBLQEGQEJFI-RXMQYKEDSA-N 0 0 186.236 1.071 10 0 ADAERN CCCc1nnc([C@@H]2C[C@H]2OC)[nH]1 690071298 573895072 /nfs/dbraw/zinc/89/50/72/573895072.db2.gz CAHHTTUSNAQEHK-RNFRBKRXSA-N 0 0 181.239 1.260 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1cc[nH]c1 123027596 573895073 /nfs/dbraw/zinc/89/50/73/573895073.db2.gz YAVRNOBLFJYRJD-XCBNKYQSSA-N 0 0 179.219 1.622 10 0 ADAERN CC(C)N1C(=O)NCC12CCCC2 238174132 573895107 /nfs/dbraw/zinc/89/51/07/573895107.db2.gz ASDZLRXORMPOKV-UHFFFAOYSA-N 0 0 182.267 1.733 10 0 ADAERN CC(C)CCC1(CO)COC1 259224671 573895120 /nfs/dbraw/zinc/89/51/20/573895120.db2.gz HAKVEKJWCGSUPA-UHFFFAOYSA-N 0 0 158.241 1.432 10 0 ADAERN CCc1cc(C)nc([C@@H](CC)CO)n1 259222081 573895162 /nfs/dbraw/zinc/89/51/62/573895162.db2.gz YBAXBNXWANAOSL-VIFPVBQESA-N 0 0 194.278 1.833 10 0 ADAERN CC[C@H](O)[C@H](C)OCCOC(C)C 44223590 573895169 /nfs/dbraw/zinc/89/51/69/573895169.db2.gz PEPHYSYVTZJOQZ-UWVGGRQHSA-N 0 0 190.283 1.587 10 0 ADAERN CCCCOCCOCC[C@H](C)O 44225102 573895191 /nfs/dbraw/zinc/89/51/91/573895191.db2.gz BYGZUWCOKHUEIV-JTQLQIEISA-N 0 0 190.283 1.591 10 0 ADAERN CC1=N[C@H](O)[C@H](C(C)(C)C)S1 238174894 573895205 /nfs/dbraw/zinc/89/52/05/573895205.db2.gz VMELFAAOZMZEQH-RNFRBKRXSA-N 0 0 173.281 1.885 10 0 ADAERN CCOC(=O)C=C(N)Cl 197106577 573895207 /nfs/dbraw/zinc/89/52/07/573895207.db2.gz BSDNTOVHGLVBPL-UHFFFAOYSA-N 0 0 149.577 1.156 10 0 ADAERN CC1([C@](C)([NH3+])c2ncon2)CC1 87365286 573895215 /nfs/dbraw/zinc/89/52/15/573895215.db2.gz FNOVZJSYFNVXPM-MRVPVSSYSA-N 0 0 167.212 1.044 10 0 ADAERN C[C@H]1CN(C)c2c1cn(C)c2C=O 76602802 573895234 /nfs/dbraw/zinc/89/52/34/573895234.db2.gz MDHMFPVSBKOLQD-ZETCQYMHSA-N 0 0 178.235 1.391 10 0 ADAERN Cn1cc(N)cc1Cc1ccco1 76601421 573895262 /nfs/dbraw/zinc/89/52/62/573895262.db2.gz ZAQGRWHSZNUKKL-UHFFFAOYSA-N 0 0 176.219 1.791 10 0 ADAERN Cn1nc(N)cc1-c1cccnc1 84444016 573895266 /nfs/dbraw/zinc/89/52/66/573895266.db2.gz BCDDTAVKECEYTO-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCC(=O)NCC1C2(CC2)C12CC2 716350010 573895273 /nfs/dbraw/zinc/89/52/73/573895273.db2.gz YGOGPYYZUBKZGL-UHFFFAOYSA-N 0 0 179.263 1.703 10 0 ADAERN CC(C)[C@H]1C(=O)CCC(=O)[C@@H]1C 238174061 573895283 /nfs/dbraw/zinc/89/52/83/573895283.db2.gz ATJPSLOFBWPJPB-OIBJUYFYSA-N 0 0 168.236 1.827 10 0 ADAERN CC(=O)[C@@H]1CC(c2ccco2)=NO1 238174561 573895348 /nfs/dbraw/zinc/89/53/48/573895348.db2.gz MSJOSQWTDNBODB-VIFPVBQESA-N 0 0 179.175 1.362 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1ccc[nH]1 123026684 573895391 /nfs/dbraw/zinc/89/53/91/573895391.db2.gz UGZCXWSNPDFSAL-XCBNKYQSSA-N 0 0 179.219 1.622 10 0 ADAERN CCNc1nccc(NC(C)C)n1 84446417 573895393 /nfs/dbraw/zinc/89/53/93/573895393.db2.gz NRNMNEGMUYGVSS-UHFFFAOYSA-N 0 0 180.255 1.729 10 0 ADAERN CC(=O)OCc1occc1Cl 238174783 573895424 /nfs/dbraw/zinc/89/54/24/573895424.db2.gz CEGNJUASELKNJN-UHFFFAOYSA-N 0 0 174.583 1.996 10 0 ADAERN CC(=O)c1cc([C@H]2CCCO2)[nH]n1 259226852 573895426 /nfs/dbraw/zinc/89/54/26/573895426.db2.gz MGEUOFWBFMHHRN-SECBINFHSA-N 0 0 180.207 1.464 10 0 ADAERN CC(=O)[C@@H]1C(C)(C)C[C@H](O)[C@H]2O[C@]21C 238174494 573895437 /nfs/dbraw/zinc/89/54/37/573895437.db2.gz WPBHEQZDKMMLNN-SJQPAMGKSA-N 0 0 198.262 1.140 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)Cc1nccs1 690002008 573895458 /nfs/dbraw/zinc/89/54/58/573895458.db2.gz CHSQOFLQSNDECW-XPUUQOCRSA-N 0 0 197.259 1.290 10 0 ADAERN CC[C@@H](C)Nc1ccnc(NC)n1 84446424 573895474 /nfs/dbraw/zinc/89/54/74/573895474.db2.gz QKOSUMDRAOYCRO-SSDOTTSWSA-N 0 0 180.255 1.729 10 0 ADAERN CC(C)OCCO[C@H](C)[C@@H](C)O 44223373 573895476 /nfs/dbraw/zinc/89/54/76/573895476.db2.gz IGJSJWNSDKCBOJ-RKDXNWHRSA-N 0 0 176.256 1.197 10 0 ADAERN CC(C)=Cc1cnc(C)nc1N 238174435 573895481 /nfs/dbraw/zinc/89/54/81/573895481.db2.gz MWAYWGOXIZNXAR-UHFFFAOYSA-N 0 0 163.224 1.790 10 0 ADAERN CC[C@@H](CO)OC(C)C 102277670 573895482 /nfs/dbraw/zinc/89/54/82/573895482.db2.gz XCEFTUZXRMBIES-ZETCQYMHSA-N 0 0 132.203 1.182 10 0 ADAERN CCCNCc1nc(C(C)C)no1 44301443 573895484 /nfs/dbraw/zinc/89/54/84/573895484.db2.gz VNPACHDQVYJGIJ-UHFFFAOYSA-N 0 0 183.255 1.693 10 0 ADAERN CC[C@H](CO)OC(C)C 102277677 573895507 /nfs/dbraw/zinc/89/55/07/573895507.db2.gz XCEFTUZXRMBIES-SSDOTTSWSA-N 0 0 132.203 1.182 10 0 ADAERN Cn1cc(-c2cnc3ccnn3c2)cn1 238539112 573895535 /nfs/dbraw/zinc/89/55/35/573895535.db2.gz OAQDFPDLRXWAKN-UHFFFAOYSA-N 0 0 199.217 1.130 10 0 ADAERN CSc1ccc(OC(N)=O)cc1 102299327 573895538 /nfs/dbraw/zinc/89/55/38/573895538.db2.gz WNNZAHBBDIVWBB-UHFFFAOYSA-N 0 0 183.232 1.866 10 0 ADAERN CC[NH2+][C@H](COC)c1ncccc1F 131611401 573895541 /nfs/dbraw/zinc/89/55/41/573895541.db2.gz MKDXUKGROBVQHY-SECBINFHSA-N 0 0 198.241 1.518 10 0 ADAERN O=C1CNCC[C@H]1Cc1ccco1 76603185 573895551 /nfs/dbraw/zinc/89/55/51/573895551.db2.gz DMJSUMKPGWHBPD-QMMMGPOBSA-N 0 0 179.219 1.001 10 0 ADAERN CC(C)c1cnc(F)c(N)c1 238173951 573895573 /nfs/dbraw/zinc/89/55/73/573895573.db2.gz OHZWCSUDYQRSSO-UHFFFAOYSA-N 0 0 154.188 1.926 10 0 ADAERN CC(=O)[C@@H]1CC=C[C@@H]2CCC(=O)[C@@H]21 238174682 573895580 /nfs/dbraw/zinc/89/55/80/573895580.db2.gz JRCJNWJJOQKIJP-YWVKMMECSA-N 0 0 178.231 1.747 10 0 ADAERN CCOCCO[C@@H](C)[C@@H](O)CC 44217179 573895593 /nfs/dbraw/zinc/89/55/93/573895593.db2.gz JLDMJAQHSOXYEO-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@@H](CF)N1C(=O)Cc2ccccc21 102278785 573895610 /nfs/dbraw/zinc/89/56/10/573895610.db2.gz NJECSVXYBLFHMG-QMMMGPOBSA-N 0 0 193.221 1.934 10 0 ADAERN C[C@@](O)(CCCO)c1cccnc1 259224116 573895630 /nfs/dbraw/zinc/89/56/30/573895630.db2.gz JKDHHUXNQVXHAK-SNVBAGLBSA-N 0 0 181.235 1.062 10 0 ADAERN COCCO[C@@H]1C[C@@H](C)CC[C@@H]1O 44222506 573895633 /nfs/dbraw/zinc/89/56/33/573895633.db2.gz LZARLLFXJXZNME-LPEHRKFASA-N 0 0 188.267 1.199 10 0 ADAERN C[C@H](CC[N@H+](C)C1CCC1)C(=O)[O-] 258993571 573895635 /nfs/dbraw/zinc/89/56/35/573895635.db2.gz ZLBVJNVQSMLMPE-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CCCCOCCO[C@H](C)[C@@H](C)O 44225170 573895639 /nfs/dbraw/zinc/89/56/39/573895639.db2.gz ADLZTVLVEBBODD-NXEZZACHSA-N 0 0 190.283 1.589 10 0 ADAERN CC[C@@H](O)[C@@H](C)OCC(C)C 44219682 573895650 /nfs/dbraw/zinc/89/56/50/573895650.db2.gz OLFZTPFBBRXKCF-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN Cn1/c(=N/O)sc2ccccc21 102415182 573895652 /nfs/dbraw/zinc/89/56/52/573895652.db2.gz IONNAMKZAMTVGD-HJWRWDBZSA-N 0 0 180.232 1.530 10 0 ADAERN O=Cc1nc2occn2c1Cl 76598405 573895656 /nfs/dbraw/zinc/89/56/56/573895656.db2.gz AHQJULSZHYLHBA-UHFFFAOYSA-N 0 0 170.555 1.393 10 0 ADAERN C[C@@H]1NCN(C2CCCCC2)C1=O 84447560 573895662 /nfs/dbraw/zinc/89/56/62/573895662.db2.gz XHOQKUXWEXKHKW-QMMMGPOBSA-N 0 0 182.267 1.097 10 0 ADAERN ClC1(c2ccc[nH]2)COC1 258989046 573895689 /nfs/dbraw/zinc/89/56/89/573895689.db2.gz ARVRLPSYKLKJGI-UHFFFAOYSA-N 0 0 157.600 1.479 10 0 ADAERN CC(C)CCO[C@H](C)[C@H](C)O 44218098 573895694 /nfs/dbraw/zinc/89/56/94/573895694.db2.gz LBLAXOVOBALASS-DTWKUNHWSA-N 0 0 160.257 1.818 10 0 ADAERN CC(C)n1nc(CO)c2c1CC[C@@H]2F 257902167 573895708 /nfs/dbraw/zinc/89/57/08/573895708.db2.gz VYSRLDWXZSWKAH-ZETCQYMHSA-N 0 0 198.241 1.913 10 0 ADAERN CNc1cc(CC(C)C)n(C)n1 259224316 573895716 /nfs/dbraw/zinc/89/57/16/573895716.db2.gz OLGWPZRHJVTFJK-UHFFFAOYSA-N 0 0 167.256 1.660 10 0 ADAERN Cc1nn(C)c2cccc(C=O)c12 76600274 573895732 /nfs/dbraw/zinc/89/57/32/573895732.db2.gz WJYGBVAMCVMAHG-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN Cc1ccc(F)c([C@@H](O)CO)c1 235765029 573895757 /nfs/dbraw/zinc/89/57/57/573895757.db2.gz ROWWOBPJBRHOHY-VIFPVBQESA-N 0 0 170.183 1.160 10 0 ADAERN C[C@@H](O)[C@@H](C)C(=O)N1CCCCC1 80405212 573895805 /nfs/dbraw/zinc/89/58/05/573895805.db2.gz NNFLIXMWMIIQOL-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN CCOCCO[C@H](C)[C@H](O)CC 44217176 573896718 /nfs/dbraw/zinc/89/67/18/573896718.db2.gz JLDMJAQHSOXYEO-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN COC(=O)C1(Cc2ccncc2)CC1 259226978 573896754 /nfs/dbraw/zinc/89/67/54/573896754.db2.gz USEUSFFTKMIAGT-UHFFFAOYSA-N 0 0 191.230 1.577 10 0 ADAERN CC(=O)[C@@H]1CCC[C@@H]2O[C@@]21C 238175114 573896765 /nfs/dbraw/zinc/89/67/65/573896765.db2.gz CLUFRABGKDLDAQ-XHNCKOQMSA-N 0 0 154.209 1.533 10 0 ADAERN CC1(C)Nc2ccccc2O[C@@H]1O 238174734 573895843 /nfs/dbraw/zinc/89/58/43/573895843.db2.gz JVRWVTLDFDPJHK-VIFPVBQESA-N 0 0 179.219 1.588 10 0 ADAERN Nc1ccc2scc(O)c2c1 80445685 573895853 /nfs/dbraw/zinc/89/58/53/573895853.db2.gz MZJSTWTYNRCFFR-UHFFFAOYSA-N 0 0 165.217 1.557 10 0 ADAERN C[C@H](O)[C@H](C)OC[C@@H]1CCCCO1 44220978 573895864 /nfs/dbraw/zinc/89/58/64/573895864.db2.gz CERSSYICQRIETF-GUBZILKMSA-N 0 0 188.267 1.341 10 0 ADAERN CNc1nccc(N2CCCC2)n1 84444990 573895866 /nfs/dbraw/zinc/89/58/66/573895866.db2.gz IEQGCGJQAOZTGV-UHFFFAOYSA-N 0 0 178.239 1.119 10 0 ADAERN OC1CC(Nc2ccnc(Cl)n2)C1 84444948 573895905 /nfs/dbraw/zinc/89/59/05/573895905.db2.gz HRKZLPCQBIRHJS-UHFFFAOYSA-N 0 0 199.641 1.065 10 0 ADAERN CCCc1nnc([C@H]2C[C@H]2OC)[nH]1 690071276 573895959 /nfs/dbraw/zinc/89/59/59/573895959.db2.gz CAHHTTUSNAQEHK-NKWVEPMBSA-N 0 0 181.239 1.260 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1ccc[nH]1 123026867 573895982 /nfs/dbraw/zinc/89/59/82/573895982.db2.gz UGZCXWSNPDFSAL-XVKPBYJWSA-N 0 0 179.219 1.622 10 0 ADAERN CC(C)N1C(=O)Cc2cc(O)ccc21 238173938 573896019 /nfs/dbraw/zinc/89/60/19/573896019.db2.gz ZEHXRRZMCLZGHV-UHFFFAOYSA-N 0 0 191.230 1.690 10 0 ADAERN C[C@H]1Nc2cccc(F)c2NC1=O 76603725 573896020 /nfs/dbraw/zinc/89/60/20/573896020.db2.gz BWGVSGGPJTYBBZ-RXMQYKEDSA-N 0 0 180.182 1.578 10 0 ADAERN CC1=CCc2cc(C(N)=O)ccc2O1 238175018 573896038 /nfs/dbraw/zinc/89/60/38/573896038.db2.gz PRQKFMIQWLOFLH-UHFFFAOYSA-N 0 0 189.214 1.624 10 0 ADAERN CCc1nc([C@@](C)([NH3+])C2(C)CC2)no1 87365294 573896040 /nfs/dbraw/zinc/89/60/40/573896040.db2.gz BZHMXSZHQPVQLH-SNVBAGLBSA-N 0 0 195.266 1.606 10 0 ADAERN Nc1cc(F)ccc1[C@H](O)CCCO 257895025 573896072 /nfs/dbraw/zinc/89/60/72/573896072.db2.gz VCAPJPNWLCUUBH-SNVBAGLBSA-N 0 0 199.225 1.214 10 0 ADAERN Cc1ccc(-c2nn(C)cc2N)o1 84444656 573896089 /nfs/dbraw/zinc/89/60/89/573896089.db2.gz XDXHSBKCFMXDEO-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CC(C)OCCO[C@H]1CCC[C@@H]1O 44223941 573896104 /nfs/dbraw/zinc/89/61/04/573896104.db2.gz TZYIAVXHFWEFLQ-UWVGGRQHSA-N 0 0 188.267 1.341 10 0 ADAERN Cn1ccc([C@@H](N)c2ncco2)c1 76602082 573896134 /nfs/dbraw/zinc/89/61/34/573896134.db2.gz NLFXPCKJJBEEEG-MRVPVSSYSA-N 0 0 177.207 1.061 10 0 ADAERN CC(C)CCO[C@@H]1CCC[C@H]1O 44218565 573896155 /nfs/dbraw/zinc/89/61/55/573896155.db2.gz MJKYIMNFXONJFM-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)(O)c1cccc2c1OCC2 102393756 573896171 /nfs/dbraw/zinc/89/61/71/573896171.db2.gz SWHRQQJDBVOZGK-UHFFFAOYSA-N 0 0 178.231 1.849 10 0 ADAERN CC(=O)OCc1scnc1Cl 238174993 573896179 /nfs/dbraw/zinc/89/61/79/573896179.db2.gz INWKVRPFAZLBCT-UHFFFAOYSA-N 0 0 191.639 1.860 10 0 ADAERN CC1=N[C@](C)(C(=O)NC(C)(C)C)CO1 238175120 573896186 /nfs/dbraw/zinc/89/61/86/573896186.db2.gz SNCGKSUJYVOSGL-JTQLQIEISA-N 0 0 198.266 1.108 10 0 ADAERN CC(=O)OCc1csc(=S)[nH]1 238174054 573896190 /nfs/dbraw/zinc/89/61/90/573896190.db2.gz NVLQXUPUMVKPTO-UHFFFAOYSA-N 0 0 189.261 1.869 10 0 ADAERN CCOCCOC[C@@H](O)C(C)(C)C 44217417 573896202 /nfs/dbraw/zinc/89/62/02/573896202.db2.gz PRBHPEAYSBIWBT-SECBINFHSA-N 0 0 190.283 1.447 10 0 ADAERN CC1=N[C@H](O)C(C)(C)C1 238174831 573896271 /nfs/dbraw/zinc/89/62/71/573896271.db2.gz BHKSWOIQDQTYLS-ZCFIWIBFSA-N 0 0 127.187 1.196 10 0 ADAERN CCC(=O)[C@@H](C)Cc1cc(C)n[nH]1 76604271 573896273 /nfs/dbraw/zinc/89/62/73/573896273.db2.gz FDPDUGYRPCWHJX-ZETCQYMHSA-N 0 0 180.251 1.876 10 0 ADAERN Cn1cc(N)cc1C1CCOCC1 76604130 573896293 /nfs/dbraw/zinc/89/62/93/573896293.db2.gz ZGCYSGLUOCZCRU-UHFFFAOYSA-N 0 0 180.251 1.501 10 0 ADAERN Cc1o[nH]c2c(C(C)C)[nH]c(=O)c1-2 238174822 573896300 /nfs/dbraw/zinc/89/63/00/573896300.db2.gz TVDJHVCCYRBORN-SSDOTTSWSA-N 0 0 180.207 1.424 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCO2)[nH]n1 259226855 573896312 /nfs/dbraw/zinc/89/63/12/573896312.db2.gz MGEUOFWBFMHHRN-VIFPVBQESA-N 0 0 180.207 1.464 10 0 ADAERN Cc1nc2cccc(C=O)c2n1C 76600284 573896323 /nfs/dbraw/zinc/89/63/23/573896323.db2.gz BMEKUJDCLFZUHL-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN c1ncc(NC2CCOCC2)cn1 76603282 573896333 /nfs/dbraw/zinc/89/63/33/573896333.db2.gz BLBVZWUTLLUCJG-UHFFFAOYSA-N 0 0 179.223 1.068 10 0 ADAERN CC(C)[C@@H]1CC[C@@H]2OC(=O)N[C@@H]2C1 238182172 573896355 /nfs/dbraw/zinc/89/63/55/573896355.db2.gz HFOQLQQAFSLSRS-HLTSFMKQSA-N 0 0 183.251 1.920 10 0 ADAERN CCn1ccnc1[C@@](C)(O)C1(C)CC1 87365466 573896377 /nfs/dbraw/zinc/89/63/77/573896377.db2.gz YTUMMMLKPQNPHL-LLVKDONJSA-N 0 0 194.278 1.911 10 0 ADAERN Cc1nc(CN(C)C)cn1C(C)C 258175712 573896381 /nfs/dbraw/zinc/89/63/81/573896381.db2.gz MPCLJQDDZBTCGC-UHFFFAOYSA-N 0 0 181.283 1.834 10 0 ADAERN COc1cccc2c1SC(=O)CN2 259223934 573896382 /nfs/dbraw/zinc/89/63/82/573896382.db2.gz LZBCAULDBXHRLU-UHFFFAOYSA-N 0 0 195.243 1.739 10 0 ADAERN Cc1csc(NCC2CC(O)C2)n1 84448580 573896394 /nfs/dbraw/zinc/89/63/94/573896394.db2.gz PXRXTOQPPKQKKK-UHFFFAOYSA-N 0 0 198.291 1.634 10 0 ADAERN CC(C)c1nc2c(o1)CNCC2=O 76603884 573896406 /nfs/dbraw/zinc/89/64/06/573896406.db2.gz MFBVLXFXUNVOFP-UHFFFAOYSA-N 0 0 180.207 1.084 10 0 ADAERN C[NH2+][C@H](Cc1ccoc1)C(OC)OC 131603063 573896417 /nfs/dbraw/zinc/89/64/17/573896417.db2.gz QAGDHIXZCSASEE-SECBINFHSA-N 0 0 199.250 1.029 10 0 ADAERN CNc1ncc(F)c(NC(C)C)n1 84448427 573896422 /nfs/dbraw/zinc/89/64/22/573896422.db2.gz JTRFCNBSRNUJLH-UHFFFAOYSA-N 0 0 184.218 1.478 10 0 ADAERN CC(=O)OCc1nc(C)cc(C)n1 238174253 573896431 /nfs/dbraw/zinc/89/64/31/573896431.db2.gz SKMMSDGCBHZGQE-UHFFFAOYSA-N 0 0 180.207 1.157 10 0 ADAERN C[C@H](O)N(C)C(=O)OC(C)(C)C 85486026 573896434 /nfs/dbraw/zinc/89/64/34/573896434.db2.gz LAADXNGDTNGGRK-LURJTMIESA-N 0 0 175.228 1.192 10 0 ADAERN Cc1[nH]c2ccccc2c1CON 76601415 573896443 /nfs/dbraw/zinc/89/64/43/573896443.db2.gz XQILRVDTWZTAGR-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN OC1CC(Nc2cccc(Cl)n2)C1 84444953 573896444 /nfs/dbraw/zinc/89/64/44/573896444.db2.gz VAPLSXYPNIAWNE-UHFFFAOYSA-N 0 0 198.653 1.670 10 0 ADAERN CC(C)Cc1c[nH]c(C2(CO)CC2)n1 258993357 573896446 /nfs/dbraw/zinc/89/64/46/573896446.db2.gz BGCYAZPUSSNNTF-UHFFFAOYSA-N 0 0 194.278 1.632 10 0 ADAERN CC(C)c1cnccc1C(N)=S 238174941 573896497 /nfs/dbraw/zinc/89/64/97/573896497.db2.gz SENOQHIEFVCCJN-UHFFFAOYSA-N 0 0 180.276 1.839 10 0 ADAERN C[C@H](OC[C@@H]1CCCCO1)[C@@H](C)O 44220982 573896518 /nfs/dbraw/zinc/89/65/18/573896518.db2.gz CERSSYICQRIETF-UTLUCORTSA-N 0 0 188.267 1.341 10 0 ADAERN Cc1ccc(CC2(CO)CC2)o1 259224132 573896523 /nfs/dbraw/zinc/89/65/23/573896523.db2.gz UMMUHGMUESCNME-UHFFFAOYSA-N 0 0 166.220 1.903 10 0 ADAERN OC1CC(Nc2cc(Cl)ncn2)C1 84444976 573896526 /nfs/dbraw/zinc/89/65/26/573896526.db2.gz NPGGYEOHSJUZEK-UHFFFAOYSA-N 0 0 199.641 1.065 10 0 ADAERN CC[C@H](CO)C(=O)c1ccc(C)o1 259226973 573896533 /nfs/dbraw/zinc/89/65/33/573896533.db2.gz USDHAOYJBVFTNW-MRVPVSSYSA-N 0 0 182.219 1.789 10 0 ADAERN CC(C)CCC[C@@H](C)[NH2+]CC(=O)[O-] 44317645 573896554 /nfs/dbraw/zinc/89/65/54/573896554.db2.gz ANXGPKZLEHDCQP-SECBINFHSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)c1nnc2n1[C@H](C)CNC2 238174202 573896556 /nfs/dbraw/zinc/89/65/56/573896556.db2.gz IGKOBAXRXNANJR-SSDOTTSWSA-N 0 0 180.255 1.066 10 0 ADAERN CN1c2cccnc2NCC1(C)C 76602324 573896567 /nfs/dbraw/zinc/89/65/67/573896567.db2.gz UJJSKZOMKPSTPT-UHFFFAOYSA-N 0 0 177.251 1.722 10 0 ADAERN COC(=O)/C(C)=C\[C@H](C)[C@@H](C)O 215529169 573896570 /nfs/dbraw/zinc/89/65/70/573896570.db2.gz FJCPHGVIALCHMO-YRQJFVFOSA-N 0 0 172.224 1.123 10 0 ADAERN C[C@@H]1OCc2sc(N)c(C(N)=O)c21 102295760 573896601 /nfs/dbraw/zinc/89/66/01/573896601.db2.gz KEXVGVIAUPPPNV-VKHMYHEASA-N 0 0 198.247 1.020 10 0 ADAERN CCCO[C@H]1CCCCC1=O 145025277 573896607 /nfs/dbraw/zinc/89/66/07/573896607.db2.gz LBYXICCBVQDSRF-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN Cc1cnc(C)c(NC2CC(O)C2)n1 84443928 573896620 /nfs/dbraw/zinc/89/66/20/573896620.db2.gz CUIVJKDRRVNROT-UHFFFAOYSA-N 0 0 193.250 1.029 10 0 ADAERN CN1C[C@H](c2ccccc2F)NC1=O 259224557 573896632 /nfs/dbraw/zinc/89/66/32/573896632.db2.gz CDRNNRDHRXXGBO-SECBINFHSA-N 0 0 194.209 1.522 10 0 ADAERN CCC[C@H]1CN(CC)C(=O)N1C 259578577 573896644 /nfs/dbraw/zinc/89/66/44/573896644.db2.gz VMRORDWIZBKXDU-QMMMGPOBSA-N 0 0 170.256 1.542 10 0 ADAERN CN1C(=O)Cc2cc(N)c(Cl)cc21 257902496 573896651 /nfs/dbraw/zinc/89/66/51/573896651.db2.gz KUJJTTSFAXZTGC-UHFFFAOYSA-N 0 0 196.637 1.441 10 0 ADAERN C[C@@H]1Nc2cc(O)ccc2OC1=O 259223850 573896663 /nfs/dbraw/zinc/89/66/63/573896663.db2.gz LXXBGUGQVVFYSR-YFKPBYRVSA-N 0 0 179.175 1.112 10 0 ADAERN OC1CC(Nc2ncccc2Cl)C1 84443864 573896665 /nfs/dbraw/zinc/89/66/65/573896665.db2.gz TUJUVCDCIMKDBA-UHFFFAOYSA-N 0 0 198.653 1.670 10 0 ADAERN Cc1cccc(NC2CC(O)C2)n1 84443804 573896673 /nfs/dbraw/zinc/89/66/73/573896673.db2.gz IUYAZBOSHMPENN-UHFFFAOYSA-N 0 0 178.235 1.325 10 0 ADAERN CC(C)[C@H]1C(=O)NC(=O)[C@@H]1C(C)C 238173790 573896690 /nfs/dbraw/zinc/89/66/90/573896690.db2.gz RONXIJICSUHTJR-HTQZYQBOSA-N 0 0 183.251 1.187 10 0 ADAERN CNc1cc(Nc2cc[nH]c2)ncn1 258988807 573897745 /nfs/dbraw/zinc/89/77/45/573897745.db2.gz BEDPEHVRLINXNY-UHFFFAOYSA-N 0 0 189.222 1.590 10 0 ADAERN CC(=O)c1cc(C[C@H]2CCOC2)on1 259224104 573897762 /nfs/dbraw/zinc/89/77/62/573897762.db2.gz MBJZSCCAPOYHOG-MRVPVSSYSA-N 0 0 195.218 1.456 10 0 ADAERN CCc1ccc(OC)c([C@H](N)NC)c1 259224519 573897770 /nfs/dbraw/zinc/89/77/70/573897770.db2.gz GYKDIVGFJJKILS-LLVKDONJSA-N 0 0 194.278 1.434 10 0 ADAERN C/C=C/CCNC(=O)[C@@H]1CC[C@@H](C)O1 131637013 573897805 /nfs/dbraw/zinc/89/78/05/573897805.db2.gz QHQXNFQYWDSEPL-OKWQPMOJSA-N 0 0 197.278 1.636 10 0 ADAERN Nc1cc(F)ccc1[C@@H](O)CCCO 257895023 573897817 /nfs/dbraw/zinc/89/78/17/573897817.db2.gz VCAPJPNWLCUUBH-JTQLQIEISA-N 0 0 199.225 1.214 10 0 ADAERN OC1CC(CNc2cccc(F)n2)C1 84449762 573897837 /nfs/dbraw/zinc/89/78/37/573897837.db2.gz DTEYEPSFOOWQIF-UHFFFAOYSA-N 0 0 196.225 1.404 10 0 ADAERN CC1([C@@](C)(C(=O)[O-])[NH+]2CCCC2)CC1 87366425 573897885 /nfs/dbraw/zinc/89/78/85/573897885.db2.gz SNSREVKNMODYHF-LLVKDONJSA-N 0 0 197.278 1.726 10 0 ADAERN CC1(C/C=C/CO)C(=O)CCCC1=O 238174844 573897889 /nfs/dbraw/zinc/89/78/89/573897889.db2.gz IFJNYDPHYUMMQZ-NSCUHMNNSA-N 0 0 196.246 1.253 10 0 ADAERN C[C@](O)(CCCO)c1cccnc1 259224111 573897890 /nfs/dbraw/zinc/89/78/90/573897890.db2.gz JKDHHUXNQVXHAK-JTQLQIEISA-N 0 0 181.235 1.062 10 0 ADAERN CC(C)c1nnc2n1CCC(=O)CC2 238174039 573897900 /nfs/dbraw/zinc/89/79/00/573897900.db2.gz NTBIMUVCCMLOJG-UHFFFAOYSA-N 0 0 193.250 1.307 10 0 ADAERN Nc1cc([C@H]2CCCSC2)on1 259226713 573897925 /nfs/dbraw/zinc/89/79/25/573897925.db2.gz MCMCJLVHWXTSCV-LURJTMIESA-N 0 0 184.264 1.867 10 0 ADAERN CC1(Cl)C(=O)CCCC1=O 238174901 573897926 /nfs/dbraw/zinc/89/79/26/573897926.db2.gz RKBVPGVAWFPTOY-UHFFFAOYSA-N 0 0 160.600 1.306 10 0 ADAERN CC(C)CCO[C@H]1CCC[C@@H]1O 44218561 573897942 /nfs/dbraw/zinc/89/79/42/573897942.db2.gz MJKYIMNFXONJFM-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN COc1ccc(CNO)cc1SC 258174402 573897953 /nfs/dbraw/zinc/89/79/53/573897953.db2.gz QHWCIQDGPOYBEE-UHFFFAOYSA-N 0 0 199.275 1.896 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1ccc[nH]1 123027375 573897957 /nfs/dbraw/zinc/89/79/57/573897957.db2.gz UGZCXWSNPDFSAL-OIBJUYFYSA-N 0 0 179.219 1.622 10 0 ADAERN CC1(c2ccno2)CC1 87368787 573897974 /nfs/dbraw/zinc/89/79/74/573897974.db2.gz PUYPJCVHLPNOON-UHFFFAOYSA-N 0 0 123.155 1.726 10 0 ADAERN CC1(C)Nc2cc(N)ccc2OC1=O 238174004 573898005 /nfs/dbraw/zinc/89/80/05/573898005.db2.gz NQIYXDHBDCHVMU-UHFFFAOYSA-N 0 0 192.218 1.378 10 0 ADAERN COC(=O)[C@]12CCCC[C@H]1CC(=O)C2 257894923 573898017 /nfs/dbraw/zinc/89/80/17/573898017.db2.gz XUXICUOPSJXEJB-KWQFWETISA-N 0 0 196.246 1.699 10 0 ADAERN CC(=O)[C@@H]1CC=C[C@H]2CCC(=O)[C@@H]21 238174718 573898020 /nfs/dbraw/zinc/89/80/20/573898020.db2.gz JRCJNWJJOQKIJP-QXEWZRGKSA-N 0 0 178.231 1.747 10 0 ADAERN Cc1cc(CO)c2cc[nH]c2c1 80407294 573898030 /nfs/dbraw/zinc/89/80/30/573898030.db2.gz NTECKSIVLBSVAL-UHFFFAOYSA-N 0 0 161.204 1.969 10 0 ADAERN CC1([C@](C)(O)[C@@H]2CCOC2)CC1 87365576 573898037 /nfs/dbraw/zinc/89/80/37/573898037.db2.gz JHMFUOSXXGHHFF-PSASIEDQSA-N 0 0 170.252 1.574 10 0 ADAERN CCCCOCCOCC[C@@H](C)O 44225097 573898046 /nfs/dbraw/zinc/89/80/46/573898046.db2.gz BYGZUWCOKHUEIV-SNVBAGLBSA-N 0 0 190.283 1.591 10 0 ADAERN CC(C)CCC[C@H](C)[NH2+]CC(=O)[O-] 44317646 573898054 /nfs/dbraw/zinc/89/80/54/573898054.db2.gz ANXGPKZLEHDCQP-VIFPVBQESA-N 0 0 187.283 1.875 10 0 ADAERN CN1C(=O)Cc2c1ccc(N)c2Cl 257902534 573898055 /nfs/dbraw/zinc/89/80/55/573898055.db2.gz KVEPERXNHXINTJ-UHFFFAOYSA-N 0 0 196.637 1.441 10 0 ADAERN COC(=O)c1nc(C2CCC2)c[nH]1 258993537 573898059 /nfs/dbraw/zinc/89/80/59/573898059.db2.gz BKEQZQSEHCYFNA-UHFFFAOYSA-N 0 0 180.207 1.464 10 0 ADAERN C[C@H](O)c1cnc2ccccc2n1 102293508 573898065 /nfs/dbraw/zinc/89/80/65/573898065.db2.gz ITKXKFKCUFGLDI-ZETCQYMHSA-N 0 0 174.203 1.683 10 0 ADAERN C/C(=C1\CC(=O)NC1=O)C1(C)CC1 87368036 573898078 /nfs/dbraw/zinc/89/80/78/573898078.db2.gz SAVCNQYHKVWWCD-SREVYHEPSA-N 0 0 179.219 1.150 10 0 ADAERN CN(C)C(=O)Nc1cccc(CO)c1 80399258 573898079 /nfs/dbraw/zinc/89/80/79/573898079.db2.gz RXTSYXZBIKYUIP-UHFFFAOYSA-N 0 0 194.234 1.272 10 0 ADAERN CNc1ncnc(Cl)c1N=O 102300473 573898080 /nfs/dbraw/zinc/89/80/80/573898080.db2.gz DEHNLHZBVBKRRV-UHFFFAOYSA-N 0 0 172.575 1.570 10 0 ADAERN C/C=C/CCNC(=O)[C@H]1CC[C@@H](C)O1 131637228 573898085 /nfs/dbraw/zinc/89/80/85/573898085.db2.gz QHQXNFQYWDSEPL-HIHHVFROSA-N 0 0 197.278 1.636 10 0 ADAERN CC(C)(C)OC(=O)N=O 80438124 573898087 /nfs/dbraw/zinc/89/80/87/573898087.db2.gz VNOOCKOUUMIAAY-UHFFFAOYSA-N 0 0 131.131 1.688 10 0 ADAERN Cc1cnn(-c2ccc(N)c(C)n2)c1 123028542 573898092 /nfs/dbraw/zinc/89/80/92/573898092.db2.gz SHEZDOHQMWKGND-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC(C)[C@H]([NH3+])C1=NCC([O-])=C1 238174051 573898102 /nfs/dbraw/zinc/89/81/02/573898102.db2.gz OCMVQUVOZLJEHV-QMMMGPOBSA-N 0 0 154.213 1.376 10 0 ADAERN CNc1cc(C2(C)CC2)[nH]n1 87367515 573898107 /nfs/dbraw/zinc/89/81/07/573898107.db2.gz DSORVQFLYRSNHJ-UHFFFAOYSA-N 0 0 151.213 1.503 10 0 ADAERN Cc1ccccc1-c1cnnc(C=O)n1 257902017 573898117 /nfs/dbraw/zinc/89/81/17/573898117.db2.gz VWSYNVZONKQTFK-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1cc[nH]c1 123028053 573898140 /nfs/dbraw/zinc/89/81/40/573898140.db2.gz YAVRNOBLFJYRJD-GMSGAONNSA-N 0 0 179.219 1.622 10 0 ADAERN Cc1ncc([C@H](C)O)o1 257901636 573898156 /nfs/dbraw/zinc/89/81/56/573898156.db2.gz BVRPRWKAXZCMPV-BYPYZUCNSA-N 0 0 127.143 1.036 10 0 ADAERN c1cn(CCC2CC2)nn1 80454522 573898159 /nfs/dbraw/zinc/89/81/59/573898159.db2.gz LRSKSAUZPVMFKP-UHFFFAOYSA-N 0 0 137.186 1.078 10 0 ADAERN C[C@H]1Nc2cc(N)ccc2N(C)C1=O 259226863 573898171 /nfs/dbraw/zinc/89/81/71/573898171.db2.gz MGFUKYKZJOGXOB-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN C[C@H]1NC(=O)C[C@]1(C)C1(C)CC1 87369037 573898173 /nfs/dbraw/zinc/89/81/73/573898173.db2.gz NCOLWWTVXSRMNQ-XCBNKYQSSA-N 0 0 167.252 1.701 10 0 ADAERN CNc1nccc(C2(C)CC2)n1 87367675 573898227 /nfs/dbraw/zinc/89/82/27/573898227.db2.gz WCOFECPYWPJJFW-UHFFFAOYSA-N 0 0 163.224 1.570 10 0 ADAERN CC[C@H](C)N(C=O)CC 80498703 573898242 /nfs/dbraw/zinc/89/82/42/573898242.db2.gz AYWADBHRVJHYNG-ZETCQYMHSA-N 0 0 129.203 1.263 10 0 ADAERN CC1([C@](C)(O)[C@H]2CCOC2)CC1 87365580 573898256 /nfs/dbraw/zinc/89/82/56/573898256.db2.gz JHMFUOSXXGHHFF-WCBMZHEXSA-N 0 0 170.252 1.574 10 0 ADAERN NC(=O)OCc1ccccc1Cl 102299301 573898268 /nfs/dbraw/zinc/89/82/68/573898268.db2.gz ZIWFMLAKPXPSNC-UHFFFAOYSA-N 0 0 185.610 1.935 10 0 ADAERN CC1(C[C@@H](N)C(F)(F)F)OCCO1 238174227 573898270 /nfs/dbraw/zinc/89/82/70/573898270.db2.gz ZAVYUAUHTSWLRW-RXMQYKEDSA-N 0 0 199.172 1.029 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XVVFIYDUMXCQFM-UHFFFAOYSA-N 0 0 192.174 1.197 10 0 ADAERN COC[C@](C)(O)C1(C)CC1 87365746 573898330 /nfs/dbraw/zinc/89/83/30/573898330.db2.gz VWRCMRQHSGRHEE-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1ncc([C@@H](C)O)o1 257901637 573898351 /nfs/dbraw/zinc/89/83/51/573898351.db2.gz BVRPRWKAXZCMPV-SCSAIBSYSA-N 0 0 127.143 1.036 10 0 ADAERN CNc1ccc(C2(C)CC2)nn1 87367190 573898383 /nfs/dbraw/zinc/89/83/83/573898383.db2.gz JWDKLKWCYXFYCC-UHFFFAOYSA-N 0 0 163.224 1.570 10 0 ADAERN CCCc1nnc([C@@H]2C[C@@H]2OC)[nH]1 690071301 573898387 /nfs/dbraw/zinc/89/83/87/573898387.db2.gz CAHHTTUSNAQEHK-RQJHMYQMSA-N 0 0 181.239 1.260 10 0 ADAERN CCN1C(=O)N=C(N)[C@@]1(C)C1(C)CC1 87369643 573898388 /nfs/dbraw/zinc/89/83/88/573898388.db2.gz QVIFSGXMIJMAAH-JTQLQIEISA-N 0 0 195.266 1.568 10 0 ADAERN OC1(CC[C@H]2CCOC2)CCC1 257902458 573898395 /nfs/dbraw/zinc/89/83/95/573898395.db2.gz DREWKFDWIIPSLC-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN Cc1cccc2c1N[C@@H](C)C(=O)N2 76601351 573898401 /nfs/dbraw/zinc/89/84/01/573898401.db2.gz YDPPFWGOMGCKGS-ZETCQYMHSA-N 0 0 176.219 1.748 10 0 ADAERN CCCC[C@@]1(O)CCCC[C@H]1O 80450361 573898404 /nfs/dbraw/zinc/89/84/04/573898404.db2.gz XGPHLRAPCPJCLR-NXEZZACHSA-N 0 0 172.268 1.843 10 0 ADAERN CC1([C@]2(C)CNC(=O)C2)CC1 87369035 573898409 /nfs/dbraw/zinc/89/84/09/573898409.db2.gz RQLPNWPEJUAUJX-VIFPVBQESA-N 0 0 153.225 1.313 10 0 ADAERN COC(=O)C(C)(C)C1=CCOCC1 223652181 573898423 /nfs/dbraw/zinc/89/84/23/573898423.db2.gz VCXMESFCQURFOJ-UHFFFAOYSA-N 0 0 184.235 1.532 10 0 ADAERN CC(=O)c1c2c(nn1C)CCCCC2 257828500 573898425 /nfs/dbraw/zinc/89/84/25/573898425.db2.gz IJRUGQKYWWKVLZ-UHFFFAOYSA-N 0 0 192.262 1.892 10 0 ADAERN CCCCOCCO[C@@H](C)[C@@H](C)O 44225166 573898459 /nfs/dbraw/zinc/89/84/59/573898459.db2.gz ADLZTVLVEBBODD-ZJUUUORDSA-N 0 0 190.283 1.589 10 0 ADAERN C[C@H]([N@@H+]1CCC[C@@H]1C(=O)[O-])C1(C)CC1 87368120 573898461 /nfs/dbraw/zinc/89/84/61/573898461.db2.gz ILFKVLKLRLQYHZ-DTWKUNHWSA-N 0 0 197.278 1.724 10 0 ADAERN CCC(=O)[C@H](C)Cc1cc(C)n[nH]1 76604274 573898464 /nfs/dbraw/zinc/89/84/64/573898464.db2.gz FDPDUGYRPCWHJX-SSDOTTSWSA-N 0 0 180.251 1.876 10 0 ADAERN CC(C)[C@H](CO)C[C@@H](C)O 80405754 573898471 /nfs/dbraw/zinc/89/84/71/573898471.db2.gz GVBPPHRWPUZNJZ-SFYZADRCSA-N 0 0 146.230 1.022 10 0 ADAERN O=c1nc(C[C@@H]2CCSC2)o[nH]1 257902409 573898480 /nfs/dbraw/zinc/89/84/80/573898480.db2.gz DPUGBLQEGQEJFI-YFKPBYRVSA-N 0 0 186.236 1.071 10 0 ADAERN C[C@H](O)C[C@@H]1CCCCCC1=O 76598057 573898487 /nfs/dbraw/zinc/89/84/87/573898487.db2.gz RMLZIISIYXCIBB-IUCAKERBSA-N 0 0 170.252 1.907 10 0 ADAERN C/C=C\C1(O)CCCC1 205931350 573898490 /nfs/dbraw/zinc/89/84/90/573898490.db2.gz FRHPIEBOJQGXAM-DJWKRKHSSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@@H]([N@@H+]1CC[C@H](C(=O)[O-])C1)C1(C)CC1 87368363 573898507 /nfs/dbraw/zinc/89/85/07/573898507.db2.gz HAZXLQGKVJXULD-BDAKNGLRSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)OCCO[C@@H](C)[C@H](C)O 44223377 573898515 /nfs/dbraw/zinc/89/85/15/573898515.db2.gz IGJSJWNSDKCBOJ-IUCAKERBSA-N 0 0 176.256 1.197 10 0 ADAERN c1ncc(N[C@H]2CCCOC2)cn1 76603287 573898523 /nfs/dbraw/zinc/89/85/23/573898523.db2.gz UZVXIKGQWMPBMH-QMMMGPOBSA-N 0 0 179.223 1.068 10 0 ADAERN C[C@H]1Nc2ccc(F)cc2OC1=O 259226718 573898540 /nfs/dbraw/zinc/89/85/40/573898540.db2.gz MCPRPCUWIRVBFW-RXMQYKEDSA-N 0 0 181.166 1.545 10 0 ADAERN CC(C)(O)C1(C)CC1 87365953 573898556 /nfs/dbraw/zinc/89/85/56/573898556.db2.gz SLWJJLUQLVJUPZ-UHFFFAOYSA-N 0 0 114.188 1.557 10 0 ADAERN Cc1cccc2c1OC[C@@H](CO)C2 235764241 573898557 /nfs/dbraw/zinc/89/85/57/573898557.db2.gz CJWYDVQIUBMLLB-SECBINFHSA-N 0 0 178.231 1.538 10 0 ADAERN CCOC[C@](C)(O)C1(C)CC1 87365630 573898579 /nfs/dbraw/zinc/89/85/79/573898579.db2.gz SVCPBNNPDHJYKH-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)CCO[C@@H]1CCC[C@@H]1O 44218558 573898595 /nfs/dbraw/zinc/89/85/95/573898595.db2.gz MJKYIMNFXONJFM-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC1(C2(C)CC(=O)NC(=O)C2)CC1 87367671 573898602 /nfs/dbraw/zinc/89/86/02/573898602.db2.gz ZEPRWGCODKMPLG-UHFFFAOYSA-N 0 0 181.235 1.229 10 0 ADAERN O=Cc1cc[nH]c2cc(=O)ccc1-2 76599609 573898608 /nfs/dbraw/zinc/89/86/08/573898608.db2.gz JATDKGHZGSTLDZ-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN O[C@H]1COC[C@@H]1C1CCCC1 687967160 573898615 /nfs/dbraw/zinc/89/86/15/573898615.db2.gz RAWMWKHXJDHKOD-BDAKNGLRSA-N 0 0 156.225 1.184 10 0 ADAERN CC(C)CCO[C@@H](C)[C@@H](C)O 44218087 573898622 /nfs/dbraw/zinc/89/86/22/573898622.db2.gz LBLAXOVOBALASS-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@H+](C)[C@@H](C)C1(C)CC1 87368374 573898642 /nfs/dbraw/zinc/89/86/42/573898642.db2.gz GVQGKBNPMLZQEH-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN O=Cc1cccc(-n2nccn2)c1 76599618 573897742 /nfs/dbraw/zinc/89/77/42/573897742.db2.gz LZCFRDCBWMMBCP-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN OCc1c[nH]c2cc(O)ccc12 257901771 573898643 /nfs/dbraw/zinc/89/86/43/573898643.db2.gz BASMDZVGGYPIJP-UHFFFAOYSA-N 0 0 163.176 1.366 10 0 ADAERN CC(C)[C@@H]1[C@@H](O)CC12CC2 238175632 573900193 /nfs/dbraw/zinc/90/01/93/573900193.db2.gz KISFBFPDVNYANH-JGVFFNPUSA-N 0 0 140.226 1.803 10 0 ADAERN Cc1coc(N[C@@H]2CCCOC2)n1 76606546 573900984 /nfs/dbraw/zinc/90/09/84/573900984.db2.gz CQELWJYOUNBSNJ-MRVPVSSYSA-N 0 0 182.223 1.574 10 0 ADAERN Cn1nccc1[C@@](C)(O)C1(C)CC1 87366180 573900200 /nfs/dbraw/zinc/90/02/00/573900200.db2.gz FRWHWWMAMNHJQL-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H]([C@@H](C)CO)C(C)(C)O 80399337 573900201 /nfs/dbraw/zinc/90/02/01/573900201.db2.gz PKJRYBRCZGCXPB-BQBZGAKWSA-N 0 0 146.230 1.022 10 0 ADAERN CC1([C@](C)(O)C2CC2)CC1 87365905 573900204 /nfs/dbraw/zinc/90/02/04/573900204.db2.gz NUHCWKOWLPQFPM-SECBINFHSA-N 0 0 140.226 1.948 10 0 ADAERN CC(=O)[C@@]12CC[C@H]1C(C)(C)N=N2 238189469 573900212 /nfs/dbraw/zinc/90/02/12/573900212.db2.gz VZTVKMBERNMZRJ-CBAPKCEASA-N 0 0 166.224 1.969 10 0 ADAERN CC(C)n1nnnc1[C@H](O)C(C)(C)C 238190933 573900221 /nfs/dbraw/zinc/90/02/21/573900221.db2.gz OFKFVUWQURYBGH-ZETCQYMHSA-N 0 0 198.270 1.334 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])SC1CCCC1 259230428 573900990 /nfs/dbraw/zinc/90/09/90/573900990.db2.gz NBAPAJJHKJZHIL-SSDOTTSWSA-N 0 0 189.280 1.422 10 0 ADAERN CC1([C@@]2(C)CC(=O)CCO2)CC1 87367747 573900226 /nfs/dbraw/zinc/90/02/26/573900226.db2.gz JVFZNANWBTZJNC-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1ccc(-c2nn(C)cc2N)cc1 84450678 573900245 /nfs/dbraw/zinc/90/02/45/573900245.db2.gz LNKDOPOOTXYKKG-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CO[C@](C)(CCO)c1cccc(O)c1 257902884 573900280 /nfs/dbraw/zinc/90/02/80/573900280.db2.gz ZAWMEBNXTRWOPD-LLVKDONJSA-N 0 0 196.246 1.636 10 0 ADAERN C[C@@H]1Nc2c(csc2N)NC1=O 76607947 573900303 /nfs/dbraw/zinc/90/03/03/573900303.db2.gz LBCJKLGKVPZMIF-VKHMYHEASA-N 0 0 183.236 1.083 10 0 ADAERN CC1([C@@]2(C)C[C@@H](O)CCO2)CC1 87367717 573900307 /nfs/dbraw/zinc/90/03/07/573900307.db2.gz FTTNVPVJXFYQLJ-WCBMZHEXSA-N 0 0 170.252 1.717 10 0 ADAERN CC1(C(N)=O)C2CC3CC(C2)CC1C3 238190577 573900313 /nfs/dbraw/zinc/90/03/13/573900313.db2.gz QUPXSTOSBHSCCP-UHFFFAOYSA-N 0 0 193.290 1.934 10 0 ADAERN CC(C)(O)[C@H](O)/C=C/c1ccccc1 238189765 573900318 /nfs/dbraw/zinc/90/03/18/573900318.db2.gz OPGXRJNKAJDFMZ-ANYFNZRUSA-N 0 0 192.258 1.832 10 0 ADAERN COC(=O)COCCC(F)(F)F 131534309 573900320 /nfs/dbraw/zinc/90/03/20/573900320.db2.gz VCBWOHYCTDDCKU-UHFFFAOYSA-N 0 0 186.129 1.128 10 0 ADAERN C[C@@H]1NC(=O)C[C@]1(C)C1(C)CC1 87369040 573900332 /nfs/dbraw/zinc/90/03/32/573900332.db2.gz NCOLWWTVXSRMNQ-XVKPBYJWSA-N 0 0 167.252 1.701 10 0 ADAERN COCCC[C@H](O)c1ccc(F)nc1 686129465 573900349 /nfs/dbraw/zinc/90/03/49/573900349.db2.gz RZHCWMMDTOJWGG-VIFPVBQESA-N 0 0 199.225 1.681 10 0 ADAERN CC(C)Cn1cccc(O)c1=O 258443254 573900367 /nfs/dbraw/zinc/90/03/67/573900367.db2.gz FFBUTILIPPJQPS-UHFFFAOYSA-N 0 0 167.208 1.210 10 0 ADAERN Cc1ccccc1CCNO 258443517 573900383 /nfs/dbraw/zinc/90/03/83/573900383.db2.gz FHHOLSFGYSDJFS-UHFFFAOYSA-N 0 0 151.209 1.516 10 0 ADAERN CC[C@@H](C)N(C=O)CC 80498699 573900398 /nfs/dbraw/zinc/90/03/98/573900398.db2.gz AYWADBHRVJHYNG-SSDOTTSWSA-N 0 0 129.203 1.263 10 0 ADAERN CC(C)(O)[C@H]1CC[C@@H](CCO)C1 238190571 573900419 /nfs/dbraw/zinc/90/04/19/573900419.db2.gz QUKFVOHOYSEXOK-IUCAKERBSA-N 0 0 172.268 1.556 10 0 ADAERN O=C1CSC[C@@H](C2CCC2)N1 257902710 573900444 /nfs/dbraw/zinc/90/04/44/573900444.db2.gz PCYADQKNDZXTQY-ZETCQYMHSA-N 0 0 171.265 1.018 10 0 ADAERN COC[C@@](C)(O)C1(C)CC1 87365744 573900447 /nfs/dbraw/zinc/90/04/47/573900447.db2.gz VWRCMRQHSGRHEE-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)(C)CCNC=O 80437317 573900457 /nfs/dbraw/zinc/90/04/57/573900457.db2.gz QOCXLGWYHYULLD-UHFFFAOYSA-N 0 0 129.203 1.169 10 0 ADAERN C[C@]1([C@H]2CCCOC2)CCC(=O)N1 257902726 573900472 /nfs/dbraw/zinc/90/04/72/573900472.db2.gz PDWNDNUXNUYIFV-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN CC(C)(O)[C@H]1C=CCC[C@H]1CO 238189934 573900473 /nfs/dbraw/zinc/90/04/73/573900473.db2.gz IIYFZQQKVBQPEV-IUCAKERBSA-N 0 0 170.252 1.332 10 0 ADAERN COC(=O)[C@H](N)CCCCC(C)C 258992086 573900479 /nfs/dbraw/zinc/90/04/79/573900479.db2.gz GBCNRXBJYGOXHM-SECBINFHSA-N 0 0 187.283 1.703 10 0 ADAERN Cc1ccc(F)c([C@H](O)C(C)(C)O)c1 235767511 573900480 /nfs/dbraw/zinc/90/04/80/573900480.db2.gz AOBXBSDCNVRYTL-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN Nc1ccc([C@H]2CCSC2)nn1 259583550 573900482 /nfs/dbraw/zinc/90/04/82/573900482.db2.gz YYLUMXVYQPTOGJ-LURJTMIESA-N 0 0 181.264 1.279 10 0 ADAERN COc1ccccc1N(C)C=O 80438520 573900487 /nfs/dbraw/zinc/90/04/87/573900487.db2.gz XXCFUYBMLLEKMY-UHFFFAOYSA-N 0 0 165.192 1.288 10 0 ADAERN CC1=NCC(c2ccccc2)=NN1 238190678 573900513 /nfs/dbraw/zinc/90/05/13/573900513.db2.gz KDKDOMIJJWPLPT-UHFFFAOYSA-N 0 0 173.219 1.412 10 0 ADAERN CC1([C@@](C)(O)c2cccnc2N)CC1 87365853 573900514 /nfs/dbraw/zinc/90/05/14/573900514.db2.gz AIJPGYQJZAQRQZ-NSHDSACASA-N 0 0 192.262 1.671 10 0 ADAERN CSCCNC(=O)OC(C)C 127429377 573900515 /nfs/dbraw/zinc/90/05/15/573900515.db2.gz CFOGKSFYGBVEKY-UHFFFAOYSA-N 0 0 177.269 1.484 10 0 ADAERN Cc1cccc2c1OC[C@H](CO)C2 235764192 573900518 /nfs/dbraw/zinc/90/05/18/573900518.db2.gz CJWYDVQIUBMLLB-VIFPVBQESA-N 0 0 178.231 1.538 10 0 ADAERN CC1([C@@]2(C)CNC(=O)O2)CC1 87368861 573900546 /nfs/dbraw/zinc/90/05/46/573900546.db2.gz ANJYGEMEPMITRM-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN CC1(C)O[C@H]1C(=O)Nc1nccs1 238189832 573900576 /nfs/dbraw/zinc/90/05/76/573900576.db2.gz LSRREENMTNKGDD-YFKPBYRVSA-N 0 0 198.247 1.259 10 0 ADAERN CC(C)n1[nH]c(=O)c2c1CSC2 257902678 573900587 /nfs/dbraw/zinc/90/05/87/573900587.db2.gz PAXCGSIKUYOQOG-UHFFFAOYSA-N 0 0 184.264 1.916 10 0 ADAERN C[C@H]1C(=O)NC(=O)C[C@]1(C)C1(C)CC1 87369414 573900632 /nfs/dbraw/zinc/90/06/32/573900632.db2.gz FMWMRPFMTWEWMN-CPCISQLKSA-N 0 0 195.262 1.475 10 0 ADAERN CC1(C)CC(=O)CN1C[C@@H]1CCCO1 259231255 573900638 /nfs/dbraw/zinc/90/06/38/573900638.db2.gz DIVWLBGVWNPRRR-JTQLQIEISA-N 0 0 197.278 1.219 10 0 ADAERN CC1([C@@]2(C)C[NH2+]C[C@H]2C(=O)[O-])CC1 87367702 573900656 /nfs/dbraw/zinc/90/06/56/573900656.db2.gz CDLJLNYTSAZQGV-XVKPBYJWSA-N 0 0 183.251 1.097 10 0 ADAERN CC(=O)NCc1snnc1C(C)C 238190875 573900660 /nfs/dbraw/zinc/90/06/60/573900660.db2.gz GPDDHRZYCSZYKE-UHFFFAOYSA-N 0 0 199.279 1.298 10 0 ADAERN CC[C@@](C)(O)C1(C)CC1 87366107 573900663 /nfs/dbraw/zinc/90/06/63/573900663.db2.gz VRVOZMOBCOPWEI-MRVPVSSYSA-N 0 0 128.215 1.948 10 0 ADAERN COC(=O)[C@@H](N)CCCCC(C)C 258992091 573900664 /nfs/dbraw/zinc/90/06/64/573900664.db2.gz GBCNRXBJYGOXHM-VIFPVBQESA-N 0 0 187.283 1.703 10 0 ADAERN C/C=C\CCNC(=O)c1cncnc1 308461291 573900668 /nfs/dbraw/zinc/90/06/68/573900668.db2.gz WYSSGEMXPWHOTO-IHWYPQMZSA-N 0 0 191.234 1.173 10 0 ADAERN CC1(C)C[C@@H](C(C)(C)O)CC1=O 238189951 573900678 /nfs/dbraw/zinc/90/06/78/573900678.db2.gz JCTBNVDATZKZRG-ZETCQYMHSA-N 0 0 170.252 1.763 10 0 ADAERN CCOC(=O)CC[C@H]1CC[C@H]1O 259578761 573900699 /nfs/dbraw/zinc/90/06/99/573900699.db2.gz KBVRRTVIEOWMKG-HTQZYQBOSA-N 0 0 172.224 1.101 10 0 ADAERN CC[C@H]1C[C@@]2(CCCC2=O)C(=O)N1 76605103 573900702 /nfs/dbraw/zinc/90/07/02/573900702.db2.gz VONLYSJUXLUCLI-OIBJUYFYSA-N 0 0 181.235 1.024 10 0 ADAERN O=C1CCc2cccc(O)c2C12CC2 259230629 573900724 /nfs/dbraw/zinc/90/07/24/573900724.db2.gz KGPQOBRPVBHSFX-UHFFFAOYSA-N 0 0 188.226 1.939 10 0 ADAERN CC[C@@H]1C[C@@]2(CCCC2=O)C(=O)N1 76605099 573900727 /nfs/dbraw/zinc/90/07/27/573900727.db2.gz VONLYSJUXLUCLI-GMSGAONNSA-N 0 0 181.235 1.024 10 0 ADAERN CC(C)c1nnc2ccc(CO)cn12 238190455 573900756 /nfs/dbraw/zinc/90/07/56/573900756.db2.gz QZAXGLJKFFJRBY-UHFFFAOYSA-N 0 0 191.234 1.345 10 0 ADAERN CO[C@@](C)(CCO)c1cccc(O)c1 257902886 573900761 /nfs/dbraw/zinc/90/07/61/573900761.db2.gz ZAWMEBNXTRWOPD-NSHDSACASA-N 0 0 196.246 1.636 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@]1(C)C1(C)CC1 87369408 573900767 /nfs/dbraw/zinc/90/07/67/573900767.db2.gz FMWMRPFMTWEWMN-HQJQHLMTSA-N 0 0 195.262 1.475 10 0 ADAERN CCn1cc(CO)c2ccc(O)cc21 257903036 573900810 /nfs/dbraw/zinc/90/08/10/573900810.db2.gz MRIIYJMOSBFTHK-UHFFFAOYSA-N 0 0 191.230 1.859 10 0 ADAERN C[C@@H]([N@@H+]1CCC[C@@H]1C(=O)[O-])C1(C)CC1 87368122 573900815 /nfs/dbraw/zinc/90/08/15/573900815.db2.gz ILFKVLKLRLQYHZ-RKDXNWHRSA-N 0 0 197.278 1.724 10 0 ADAERN CC1(C)CC(=O)CN1C[C@H]1CCCO1 259231261 573900820 /nfs/dbraw/zinc/90/08/20/573900820.db2.gz DIVWLBGVWNPRRR-SNVBAGLBSA-N 0 0 197.278 1.219 10 0 ADAERN CC(C)(O)[C@H]1C=CCC[C@@H]1CO 238189917 573900833 /nfs/dbraw/zinc/90/08/33/573900833.db2.gz IIYFZQQKVBQPEV-BDAKNGLRSA-N 0 0 170.252 1.332 10 0 ADAERN OC/C=C\C[C@@H]1CCCS1 258175085 573900841 /nfs/dbraw/zinc/90/08/41/573900841.db2.gz LSKYVDDOLWKSTJ-SLYZXXNYSA-N 0 0 158.266 1.821 10 0 ADAERN CC1(C)C(=O)CCN1C(=O)C1CCC1 258992151 573900853 /nfs/dbraw/zinc/90/08/53/573900853.db2.gz BNBVBHAIMPWDGE-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN CC1([C@@]2(C)C[NH2+]C[C@@H]2C(=O)[O-])CC1 87367697 573900854 /nfs/dbraw/zinc/90/08/54/573900854.db2.gz CDLJLNYTSAZQGV-XCBNKYQSSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@H]1Nc2c(csc2N)NC1=O 76607946 573900877 /nfs/dbraw/zinc/90/08/77/573900877.db2.gz LBCJKLGKVPZMIF-GSVOUGTGSA-N 0 0 183.236 1.083 10 0 ADAERN Nc1c(Cl)[nH]c2c(N)cccc12 76606310 573900883 /nfs/dbraw/zinc/90/08/83/573900883.db2.gz ZMKVIIQYLJFFPR-UHFFFAOYSA-N 0 0 181.626 1.986 10 0 ADAERN CC1([C@@]2(C)C[C@H](O)CCO2)CC1 87367713 573900884 /nfs/dbraw/zinc/90/08/84/573900884.db2.gz FTTNVPVJXFYQLJ-PSASIEDQSA-N 0 0 170.252 1.717 10 0 ADAERN CCCNc1nccc(NC2CC2)n1 84453415 573900885 /nfs/dbraw/zinc/90/08/85/573900885.db2.gz KZLXBHVDKIWRJU-UHFFFAOYSA-N 0 0 192.266 1.873 10 0 ADAERN O=C1CCOC[C@H]1CC(F)(F)F 76606348 573900904 /nfs/dbraw/zinc/90/09/04/573900904.db2.gz PVRYXUHLAKUVHL-RXMQYKEDSA-N 0 0 182.141 1.544 10 0 ADAERN Cc1sc2c(c1N)NCC(=O)N2 76607928 573900910 /nfs/dbraw/zinc/90/09/10/573900910.db2.gz FPHLUXYQPDKKJD-UHFFFAOYSA-N 0 0 183.236 1.003 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)c1cc[nH]c1 690071782 573900913 /nfs/dbraw/zinc/90/09/13/573900913.db2.gz GSZQFTUZAGOION-YIZRAAEISA-N 0 0 167.208 1.083 10 0 ADAERN C[C@@]1([C@@H]2CCCOC2)CCC(=O)N1 257902725 573900928 /nfs/dbraw/zinc/90/09/28/573900928.db2.gz PDWNDNUXNUYIFV-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN Nc1[nH]cc(-c2ccccc2C=O)[nH+]1 257902728 573900930 /nfs/dbraw/zinc/90/09/30/573900930.db2.gz PDYVNOQMVHGEOM-UHFFFAOYSA-N 0 0 187.202 1.471 10 0 ADAERN CCOC(=O)CC[C@H]1CC[C@@H]1O 259578763 573900950 /nfs/dbraw/zinc/90/09/50/573900950.db2.gz KBVRRTVIEOWMKG-SFYZADRCSA-N 0 0 172.224 1.101 10 0 ADAERN CC(=O)[C@H]1CN(C)c2ccc(F)cc21 258175680 573900952 /nfs/dbraw/zinc/90/09/52/573900952.db2.gz SKXQDHUNXRYGGT-SNVBAGLBSA-N 0 0 193.221 1.948 10 0 ADAERN CCN(C)C(=O)N(CC1CC1)C1CC1 127465623 573902529 /nfs/dbraw/zinc/90/25/29/573902529.db2.gz JXDYHBNVQUYTCF-UHFFFAOYSA-N 0 0 196.294 1.933 10 0 ADAERN C1CCC(Nc2nnns2)C1 258998573 573902530 /nfs/dbraw/zinc/90/25/30/573902530.db2.gz PYTRNDYLPPCETA-UHFFFAOYSA-N 0 0 170.241 1.288 10 0 ADAERN O=Cc1nccn1Cc1nccs1 87393877 573902562 /nfs/dbraw/zinc/90/25/62/573902562.db2.gz SAZBUASTJFSKOY-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN OCC1(Cc2nccs2)CC1 87398429 573902565 /nfs/dbraw/zinc/90/25/65/573902565.db2.gz CXZVUWIMFVODAH-UHFFFAOYSA-N 0 0 169.249 1.458 10 0 ADAERN CCO[C@H]1C[C@@H]1c1csc(N)n1 690005959 573902582 /nfs/dbraw/zinc/90/25/82/573902582.db2.gz POHYHCKKCMOLNK-VDTYLAMSSA-N 0 0 184.264 1.618 10 0 ADAERN O=C(Cc1cccnn1)c1cccnc1 259229890 573901882 /nfs/dbraw/zinc/90/18/82/573901882.db2.gz RYVGVVUXXKVOFE-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN C[NH2+]C[C@H](Cc1cccs1)C(=O)[O-] 258443800 573901884 /nfs/dbraw/zinc/90/18/84/573901884.db2.gz XCRBZYWDXNDBPT-ZETCQYMHSA-N 0 0 199.275 1.211 10 0 ADAERN CC1=NN(c2ccccc2)C[C@@H]1O 238189928 573901889 /nfs/dbraw/zinc/90/18/89/573901889.db2.gz AAIZAXKMHLFOBQ-JTQLQIEISA-N 0 0 176.219 1.243 10 0 ADAERN CC(=O)[C@@]12OC=C[C@H]1CC2(C)C 238190023 573901923 /nfs/dbraw/zinc/90/19/23/573901923.db2.gz GMBVYPGQAJKMBL-WCBMZHEXSA-N 0 0 166.220 1.904 10 0 ADAERN CN1CC[C@@H](CC(C)(C)C)C(=O)C1 76608560 573901946 /nfs/dbraw/zinc/90/19/46/573901946.db2.gz KMKIETSIDVHZEJ-VIFPVBQESA-N 0 0 183.295 1.943 10 0 ADAERN CCc1nccn1[C@@H](C)C(=O)N(C)C 41392215 573902603 /nfs/dbraw/zinc/90/26/03/573902603.db2.gz NWJZLBTYCXWSGC-QMMMGPOBSA-N 0 0 195.266 1.095 10 0 ADAERN Nc1cc2c(s1)NC(=O)CCN2 76607936 573901959 /nfs/dbraw/zinc/90/19/59/573901959.db2.gz NEMYNFLKTZVAKZ-UHFFFAOYSA-N 0 0 183.236 1.084 10 0 ADAERN CCC(=O)C(C)(C)[C@@H](C)O 238190249 573901968 /nfs/dbraw/zinc/90/19/68/573901968.db2.gz UFGLCHSTNPVGOW-ZCFIWIBFSA-N 0 0 144.214 1.373 10 0 ADAERN CC(C)C(=O)Cc1cc(O)cc(O)c1 238190981 573901974 /nfs/dbraw/zinc/90/19/74/573901974.db2.gz BKEVHWFIYHVWFS-UHFFFAOYSA-N 0 0 194.230 1.865 10 0 ADAERN CCN(CCO)c1ccc(C(C)=O)o1 131544764 573901975 /nfs/dbraw/zinc/90/19/75/573901975.db2.gz JIQHHARLJFIUCU-UHFFFAOYSA-N 0 0 197.234 1.301 10 0 ADAERN Cc1coc(N[C@H]2CCCOC2)n1 76606549 573902607 /nfs/dbraw/zinc/90/26/07/573902607.db2.gz CQELWJYOUNBSNJ-QMMMGPOBSA-N 0 0 182.223 1.574 10 0 ADAERN CC(=O)OCn1cc[nH]c1=S 238175751 573902011 /nfs/dbraw/zinc/90/20/11/573902011.db2.gz BKNYHFGUWJYCAQ-UHFFFAOYSA-N 0 0 172.209 1.066 10 0 ADAERN CCOCC(=O)c1ncnn1C(C)C 308461144 573902022 /nfs/dbraw/zinc/90/20/22/573902022.db2.gz GFTFIVDVEOXCDV-UHFFFAOYSA-N 0 0 197.238 1.078 10 0 ADAERN CC[C@@H](O)CCc1nccs1 87395825 573902026 /nfs/dbraw/zinc/90/20/26/573902026.db2.gz OLEZVIINNZFCTQ-SSDOTTSWSA-N 0 0 171.265 1.847 10 0 ADAERN Cc1ccnn1Cc1nccs1 87397337 573902073 /nfs/dbraw/zinc/90/20/73/573902073.db2.gz YRDDNNSAFCNGGV-UHFFFAOYSA-N 0 0 179.248 1.696 10 0 ADAERN CC[C@H](OCCC(F)(F)F)C(N)=O 131690272 573902080 /nfs/dbraw/zinc/90/20/80/573902080.db2.gz AOUISTXDNRFTIA-YFKPBYRVSA-N 0 0 199.172 1.219 10 0 ADAERN CC1(C)C/C(=C\COC=O)CC[C@@H]1O 238175656 573902104 /nfs/dbraw/zinc/90/21/04/573902104.db2.gz FEMICAMUQQOFIE-BSKOKIOFSA-N 0 0 198.262 1.657 10 0 ADAERN CC1(C)O[C@H]1C1=NO[C@](C)(CCO)C1 238189970 573902109 /nfs/dbraw/zinc/90/21/09/573902109.db2.gz HWBAUWZUUQCSGP-WCBMZHEXSA-N 0 0 199.250 1.081 10 0 ADAERN CC[C@@H]1C[C@]2(CCCC2=O)C(=O)N1 76605107 573902116 /nfs/dbraw/zinc/90/21/16/573902116.db2.gz VONLYSJUXLUCLI-XCBNKYQSSA-N 0 0 181.235 1.024 10 0 ADAERN CCO[C@H]1C[C@H]1c1csc(N)n1 690005939 573902136 /nfs/dbraw/zinc/90/21/36/573902136.db2.gz POHYHCKKCMOLNK-FSPLSTOPSA-N 0 0 184.264 1.618 10 0 ADAERN C[C@]1([C@@H]2CCCOC2)CCC(=O)N1 257902724 573902139 /nfs/dbraw/zinc/90/21/39/573902139.db2.gz PDWNDNUXNUYIFV-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN CCn1c(N)cnc1COC(C)C 257903551 573902145 /nfs/dbraw/zinc/90/21/45/573902145.db2.gz OOJSQAVNNNMFJE-UHFFFAOYSA-N 0 0 183.255 1.410 10 0 ADAERN CC(=O)c1ccc(N(C)C[C@@H](C)O)o1 131558174 573902159 /nfs/dbraw/zinc/90/21/59/573902159.db2.gz FGSSZBIEMYCKPU-SSDOTTSWSA-N 0 0 197.234 1.299 10 0 ADAERN C[C@@H]1Nc2sc(N)cc2NC1=O 76607967 573902162 /nfs/dbraw/zinc/90/21/62/573902162.db2.gz DKBUZSDNVBSPBR-VKHMYHEASA-N 0 0 183.236 1.083 10 0 ADAERN OCC1(c2ccc3c(c2)CCN3)CC1 259225384 573902173 /nfs/dbraw/zinc/90/21/73/573902173.db2.gz OTRDNGRBVILACY-UHFFFAOYSA-N 0 0 189.258 1.679 10 0 ADAERN Cc1c(N)sc2c1NC(=O)CN2 76607953 573902181 /nfs/dbraw/zinc/90/21/81/573902181.db2.gz BZIMSRHHRYGSMV-UHFFFAOYSA-N 0 0 183.236 1.003 10 0 ADAERN O=C1NCC[C@H](c2cccc(O)c2)N1 257902928 573902191 /nfs/dbraw/zinc/90/21/91/573902191.db2.gz ZBNGGOGTYOQAEV-SECBINFHSA-N 0 0 192.218 1.136 10 0 ADAERN CC[C@H](C)C[C@H](C)N1C(=O)CN[C@H]1C 127441355 573902198 /nfs/dbraw/zinc/90/21/98/573902198.db2.gz ZFEMSCZUENRNJV-LPEHRKFASA-N 0 0 198.310 1.589 10 0 ADAERN Cc1cc(F)ccc1CCNC=O 87374726 573902220 /nfs/dbraw/zinc/90/22/20/573902220.db2.gz QILHZJYBNOWADZ-UHFFFAOYSA-N 0 0 181.210 1.423 10 0 ADAERN CC(=O)SCC(=O)C(C)C 238189938 573902230 /nfs/dbraw/zinc/90/22/30/573902230.db2.gz MXNUALOUMXOMOA-UHFFFAOYSA-N 0 0 160.238 1.491 10 0 ADAERN CC1=C[C@H](O)[C@@H](C(C)C)C(=O)C1 238175591 573902274 /nfs/dbraw/zinc/90/22/74/573902274.db2.gz ORXOHVOZOHQUKA-WCBMZHEXSA-N 0 0 168.236 1.539 10 0 ADAERN COC(=O)c1ccc2oncc2c1N 257902919 573902313 /nfs/dbraw/zinc/90/23/13/573902313.db2.gz ZBGULSWJIOBOGU-UHFFFAOYSA-N 0 0 192.174 1.197 10 0 ADAERN CCC(C)(C)[C@@H]1CC[C@@H](CO)O1 238190246 573902320 /nfs/dbraw/zinc/90/23/20/573902320.db2.gz DNYUBEVCKYIOLJ-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1nc(N[C@@H]2CCOC2)oc1C 76606534 573902337 /nfs/dbraw/zinc/90/23/37/573902337.db2.gz CJOBMNATSGNWBE-MRVPVSSYSA-N 0 0 182.223 1.492 10 0 ADAERN C[C@]1(c2ccc(O)cc2)CNC(=O)O1 257902793 573902342 /nfs/dbraw/zinc/90/23/42/573902342.db2.gz YXVKBAOGGJDYRH-SNVBAGLBSA-N 0 0 193.202 1.347 10 0 ADAERN O=Cc1c2c(nn1C1CCC1)CCC2 257902843 573902354 /nfs/dbraw/zinc/90/23/54/573902354.db2.gz YZMKCXNLSMYHRX-UHFFFAOYSA-N 0 0 190.246 1.909 10 0 ADAERN O=CSc1ccc2c(c1)OCO2 259225385 573902357 /nfs/dbraw/zinc/90/23/57/573902357.db2.gz MRXRLLCDXZGXHU-UHFFFAOYSA-N 0 0 182.200 1.698 10 0 ADAERN COCCCCC(=O)[C@@H]1C[C@H]1OC 690004871 573902368 /nfs/dbraw/zinc/90/23/68/573902368.db2.gz KYBNQARLBRPLNM-WCBMZHEXSA-N 0 0 186.251 1.407 10 0 ADAERN COCCCCC(=O)[C@H]1C[C@@H]1OC 690004870 573902373 /nfs/dbraw/zinc/90/23/73/573902373.db2.gz KYBNQARLBRPLNM-SCZZXKLOSA-N 0 0 186.251 1.407 10 0 ADAERN C[NH2+]C[C@@H](Cc1cccs1)C(=O)[O-] 258443799 573902376 /nfs/dbraw/zinc/90/23/76/573902376.db2.gz XCRBZYWDXNDBPT-SSDOTTSWSA-N 0 0 199.275 1.211 10 0 ADAERN CC[C@@H](O)[C@H](C)n1cnc(C2CC2)n1 308460900 573902379 /nfs/dbraw/zinc/90/23/79/573902379.db2.gz FNDSVEJLYBFJNX-IONNQARKSA-N 0 0 195.266 1.487 10 0 ADAERN Cc1csc(CC[C@H](C)O)n1 87395791 573902386 /nfs/dbraw/zinc/90/23/86/573902386.db2.gz IBCXGROGDILWDU-ZETCQYMHSA-N 0 0 171.265 1.765 10 0 ADAERN Nc1scc2c1NCCC(=O)N2 76607950 573902406 /nfs/dbraw/zinc/90/24/06/573902406.db2.gz DUOAJXWSECRNJH-UHFFFAOYSA-N 0 0 183.236 1.084 10 0 ADAERN Cc1ccc([C@H](C)NC=O)cc1F 87374735 573902411 /nfs/dbraw/zinc/90/24/11/573902411.db2.gz GQNWSRKBYOYRNW-QMMMGPOBSA-N 0 0 181.210 1.941 10 0 ADAERN CCOCCc1nc2c([nH]1)CCCC2 127451616 573902422 /nfs/dbraw/zinc/90/24/22/573902422.db2.gz KQNYCEMGJSBTES-UHFFFAOYSA-N 0 0 194.278 1.868 10 0 ADAERN c1cc(N[C@@H]2CCCSC2)n[nH]1 76608239 573902425 /nfs/dbraw/zinc/90/24/25/573902425.db2.gz ORCBXMFQJWFXCQ-SSDOTTSWSA-N 0 0 183.280 1.717 10 0 ADAERN CC(C)CC[C@@H]1CN(C)CCC1=O 76608584 573902427 /nfs/dbraw/zinc/90/24/27/573902427.db2.gz FYBZHAGLWQRFIC-SNVBAGLBSA-N 0 0 183.295 1.943 10 0 ADAERN Nc1cc2c(s1)NCCC(=O)N2 76607969 573902447 /nfs/dbraw/zinc/90/24/47/573902447.db2.gz LTKNVNPNUFFWPX-UHFFFAOYSA-N 0 0 183.236 1.084 10 0 ADAERN COCCCCC(=O)[C@@H]1C[C@@H]1OC 690004873 573902465 /nfs/dbraw/zinc/90/24/65/573902465.db2.gz KYBNQARLBRPLNM-WPRPVWTQSA-N 0 0 186.251 1.407 10 0 ADAERN CCC[C@@H](COC)NC(=O)N(C)C 127454196 573902486 /nfs/dbraw/zinc/90/24/86/573902486.db2.gz SJJCKWJREGLLIH-QMMMGPOBSA-N 0 0 188.271 1.073 10 0 ADAERN O=C1CSC[C@H](C2CCC2)N1 257902709 573902490 /nfs/dbraw/zinc/90/24/90/573902490.db2.gz PCYADQKNDZXTQY-SSDOTTSWSA-N 0 0 171.265 1.018 10 0 ADAERN Cc1csc(CNn2cccc2)n1 87376398 573902492 /nfs/dbraw/zinc/90/24/92/573902492.db2.gz BIRJSYGUGLYLON-UHFFFAOYSA-N 0 0 193.275 1.997 10 0 ADAERN COCN(C)c1ccccc1F 259225633 573902494 /nfs/dbraw/zinc/90/24/94/573902494.db2.gz XZSNNWYGUSZMDQ-UHFFFAOYSA-N 0 0 169.199 1.866 10 0 ADAERN Cc1c(N)sc2c1NCC(=O)N2 76607930 573902499 /nfs/dbraw/zinc/90/24/99/573902499.db2.gz JIABPFQADZAWRO-UHFFFAOYSA-N 0 0 183.236 1.003 10 0 ADAERN COc1ccc(C[C@@H](C)O)c(O)c1C 258176649 573904198 /nfs/dbraw/zinc/90/41/98/573904198.db2.gz WHUSONJEDPMLAR-SSDOTTSWSA-N 0 0 196.246 1.633 10 0 ADAERN Cc1csc(CC2(CO)CC2)n1 87398428 573904200 /nfs/dbraw/zinc/90/42/00/573904200.db2.gz BGQUYQIDQDBXPC-UHFFFAOYSA-N 0 0 183.276 1.767 10 0 ADAERN CCn1nc(N)cc1C1CCOCC1 257895993 573904237 /nfs/dbraw/zinc/90/42/37/573904237.db2.gz XXGIHZGEALJNJA-UHFFFAOYSA-N 0 0 195.266 1.379 10 0 ADAERN CC1(C)C(=O)Cc2ccc(O)cc21 238192761 573904239 /nfs/dbraw/zinc/90/42/39/573904239.db2.gz FGBWSHSAEDDYQC-UHFFFAOYSA-N 0 0 176.215 1.795 10 0 ADAERN O=C(CCSCC1CC1)N1CCC1 393569104 573904254 /nfs/dbraw/zinc/90/42/54/573904254.db2.gz RZORFIFDNLSZRW-UHFFFAOYSA-N 0 0 199.319 1.752 10 0 ADAERN OCc1cccn1Cc1nccs1 87393925 573904263 /nfs/dbraw/zinc/90/42/63/573904263.db2.gz PJUMZHFVBGLSJI-UHFFFAOYSA-N 0 0 194.259 1.485 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](CCO)CN2 257896070 573904298 /nfs/dbraw/zinc/90/42/98/573904298.db2.gz XYIPUFPJDZNZSR-SNVBAGLBSA-N 0 0 191.274 1.962 10 0 ADAERN CCC[C@@H](C)Nc1cncc(N)n1 84544761 573904300 /nfs/dbraw/zinc/90/43/00/573904300.db2.gz PIBRHUQEIIRZQM-SSDOTTSWSA-N 0 0 180.255 1.659 10 0 ADAERN COCC[C@@H](C)[C@@]1(CO)CCOC1 131542297 573904325 /nfs/dbraw/zinc/90/43/25/573904325.db2.gz FTXDUKYGUMKHHG-NXEZZACHSA-N 0 0 188.267 1.058 10 0 ADAERN CC1(C)C[C@@H](C(=O)[O-])CC[N@@H+]1C1CC1 259225370 573904328 /nfs/dbraw/zinc/90/43/28/573904328.db2.gz DFNLVUXHVYLVBG-QMMMGPOBSA-N 0 0 197.278 1.724 10 0 ADAERN CC(C)C(=O)Cc1cccn1C 238191047 573904337 /nfs/dbraw/zinc/90/43/37/573904337.db2.gz HODWCVPJOMQRCD-UHFFFAOYSA-N 0 0 165.236 1.793 10 0 ADAERN O=c1ccc2ccc(O)cc2s1 222791882 573904343 /nfs/dbraw/zinc/90/43/43/573904343.db2.gz QAPUPAUNIOBKEP-UHFFFAOYSA-N 0 0 178.212 1.967 10 0 ADAERN CC(C)(O)c1c(O)cccc1O 238193156 573904346 /nfs/dbraw/zinc/90/43/46/573904346.db2.gz COXYJMNWMNZJEN-UHFFFAOYSA-N 0 0 168.192 1.325 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)c1cc[nH]c1 690071773 573904354 /nfs/dbraw/zinc/90/43/54/573904354.db2.gz GSZQFTUZAGOION-IWSPIJDZSA-N 0 0 167.208 1.083 10 0 ADAERN Cc1ccccc1[C@@H](O)[C@H](O)C1CC1 235783547 573904355 /nfs/dbraw/zinc/90/43/55/573904355.db2.gz DYPCNXFCMVXBIO-VXGBXAGGSA-N 0 0 192.258 1.799 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])SC1CCCC1 259230432 573904356 /nfs/dbraw/zinc/90/43/56/573904356.db2.gz NBAPAJJHKJZHIL-ZETCQYMHSA-N 0 0 189.280 1.422 10 0 ADAERN CCONCc1csc(C)n1 84605910 573904361 /nfs/dbraw/zinc/90/43/61/573904361.db2.gz BRHKKLYMGZNVLP-UHFFFAOYSA-N 0 0 172.253 1.493 10 0 ADAERN CC1=N[C@@H]2CC(=O)C[C@@H]2S1 238192620 573904363 /nfs/dbraw/zinc/90/43/63/573904363.db2.gz NSQSCYIEWSLZMV-RQJHMYQMSA-N 0 0 155.222 1.252 10 0 ADAERN C[C@H](CO)Cc1nccs1 87398455 573904365 /nfs/dbraw/zinc/90/43/65/573904365.db2.gz FVSGVQYPYFQHBK-LURJTMIESA-N 0 0 157.238 1.314 10 0 ADAERN OCCc1[nH+]cc2cc(Cl)ccn12 257904215 573904389 /nfs/dbraw/zinc/90/43/89/573904389.db2.gz ZGAZZWGXTKTRJQ-UHFFFAOYSA-N 0 0 196.637 1.523 10 0 ADAERN COC(=O)NCC(C)(C)C(C)(C)O 393569667 573904392 /nfs/dbraw/zinc/90/43/92/573904392.db2.gz UKAZGANACYRARM-UHFFFAOYSA-N 0 0 189.255 1.140 10 0 ADAERN Cc1nc(CON)sc1C 87391958 573904395 /nfs/dbraw/zinc/90/43/95/573904395.db2.gz HROKFMNXEPLWOH-UHFFFAOYSA-N 0 0 158.226 1.150 10 0 ADAERN C/C(=C/NC(=O)C(C)C)N(C)C 238191717 573904400 /nfs/dbraw/zinc/90/44/00/573904400.db2.gz SJEZPCOENULYTD-VURMDHGXSA-N 0 0 170.256 1.182 10 0 ADAERN CC(C)(O)[C@H]1O[C@H]1c1cccc(O)c1 238191596 573904406 /nfs/dbraw/zinc/90/44/06/573904406.db2.gz YFWKGBSMICEVPM-UWVGGRQHSA-N 0 0 194.230 1.603 10 0 ADAERN CC[C@@](C)(O)CC[C@H](C)O 80675922 573904427 /nfs/dbraw/zinc/90/44/27/573904427.db2.gz NKWKZLRCUPYPSO-JGVFFNPUSA-N 0 0 146.230 1.308 10 0 ADAERN NOCC[C@@H]1CCSC1 258451794 573904438 /nfs/dbraw/zinc/90/44/38/573904438.db2.gz GCSDMUGGYNSKRB-ZCFIWIBFSA-N 0 0 147.243 1.020 10 0 ADAERN CCc1nccn1[C@H](C)C(=O)N(C)C 41392217 573904440 /nfs/dbraw/zinc/90/44/40/573904440.db2.gz NWJZLBTYCXWSGC-MRVPVSSYSA-N 0 0 195.266 1.095 10 0 ADAERN CCONCc1nccs1 87376191 573904459 /nfs/dbraw/zinc/90/44/59/573904459.db2.gz BYQPHMFCBRJOER-UHFFFAOYSA-N 0 0 158.226 1.184 10 0 ADAERN C[C@H](C(=O)N[C@H]1CC12CC2)C1CC1 335493592 573904463 /nfs/dbraw/zinc/90/44/63/573904463.db2.gz AJSJDRBEQQFQET-CBAPKCEASA-N 0 0 179.263 1.701 10 0 ADAERN CC1=NO[C@@H](c2ccccc2)[C@@H]1O 238191274 573904468 /nfs/dbraw/zinc/90/44/68/573904468.db2.gz DCIGNDVAEIGKDH-ZJUUUORDSA-N 0 0 177.203 1.495 10 0 ADAERN NOCC[C@H]1CCSC1 258451791 573904500 /nfs/dbraw/zinc/90/45/00/573904500.db2.gz GCSDMUGGYNSKRB-LURJTMIESA-N 0 0 147.243 1.020 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)c1cc[nH]c1 690071756 573904502 /nfs/dbraw/zinc/90/45/02/573904502.db2.gz GSZQFTUZAGOION-HLTSFMKQSA-N 0 0 167.208 1.083 10 0 ADAERN [NH3+]Cc1cc2c([nH]c1=O)CSCC2 257904191 573904508 /nfs/dbraw/zinc/90/45/08/573904508.db2.gz ZFMGPWKAXPPTEZ-UHFFFAOYSA-N 0 0 196.275 1.035 10 0 ADAERN O=C1C2CCCCC2=NN1C1CC1 257883322 573904512 /nfs/dbraw/zinc/90/45/12/573904512.db2.gz MJXOJJLURZHYCH-UHFFFAOYSA-N 0 0 178.235 1.802 10 0 ADAERN CCC[C@@H](N)C(=O)c1scnc1C 74237355 573904513 /nfs/dbraw/zinc/90/45/13/573904513.db2.gz YXNYHBJVPYSRCK-SSDOTTSWSA-N 0 0 198.291 1.762 10 0 ADAERN CC1=N[C@@H](O)[C@H](c2ccccc2)O1 238192267 573904536 /nfs/dbraw/zinc/90/45/36/573904536.db2.gz QTTVOKQWWJHWJV-UWVGGRQHSA-N 0 0 177.203 1.495 10 0 ADAERN Cc1cc(N)cnc1-c1ccnn1C 235787738 573904577 /nfs/dbraw/zinc/90/45/77/573904577.db2.gz OJXSXWWNCJQLLZ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@H](O)CCCOCC(F)(F)F 44469676 573904586 /nfs/dbraw/zinc/90/45/86/573904586.db2.gz IDTAISJCNXMYTE-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)c1cnsc1 689911980 573904629 /nfs/dbraw/zinc/90/46/29/573904629.db2.gz ABZADIPIOBRWAI-BQBZGAKWSA-N 0 0 183.232 1.361 10 0 ADAERN CC1(C)CC=C[C@@](C)(O)C1=O 238192255 573904673 /nfs/dbraw/zinc/90/46/73/573904673.db2.gz LTJBUTMCWAHCTQ-SECBINFHSA-N 0 0 154.209 1.293 10 0 ADAERN CC(C)C[C@H](C)C1(O)COC1 642821721 573904681 /nfs/dbraw/zinc/90/46/81/573904681.db2.gz HCUPQKQORUSXLT-QMMMGPOBSA-N 0 0 158.241 1.430 10 0 ADAERN CCC(CC)[C@H]1CNC(=S)N1 238192973 573904694 /nfs/dbraw/zinc/90/46/94/573904694.db2.gz UFSYMYLPWHBTJB-SSDOTTSWSA-N 0 0 172.297 1.269 10 0 ADAERN CC1(C)C(=O)Cc2cccc(N)c21 238192953 573904704 /nfs/dbraw/zinc/90/47/04/573904704.db2.gz FEXRRCSOPPAEQP-UHFFFAOYSA-N 0 0 175.231 1.672 10 0 ADAERN CC1=NO[C@@H](c2ccc(C)cc2)[C@H]1O 238191222 573904722 /nfs/dbraw/zinc/90/47/22/573904722.db2.gz RDMHCVQDDBYFQE-QWRGUYRKSA-N 0 0 191.230 1.803 10 0 ADAERN CC(=O)[C@@]1(c2ccccc2)N=C1C 238191083 573904739 /nfs/dbraw/zinc/90/47/39/573904739.db2.gz HJIVKKRZKWIGMX-NSHDSACASA-N 0 0 173.215 1.945 10 0 ADAERN C[NH2+][C@H](/C=C/C(=O)[O-])c1ccccc1 259230178 573904745 /nfs/dbraw/zinc/90/47/45/573904745.db2.gz GKKXRPDRBNGUDO-QROSGCPLSA-N 0 0 191.230 1.588 10 0 ADAERN C[C@H](O)[C@H]1CCCC[C@@H]1F 258450226 573904759 /nfs/dbraw/zinc/90/47/59/573904759.db2.gz FUJJBFAYYFDJFR-RNJXMRFFSA-N 0 0 146.205 1.896 10 0 ADAERN Cc1cnc([C@H]2CSCCN2)o1 257903729 573904785 /nfs/dbraw/zinc/90/47/85/573904785.db2.gz PHAMKICZKSYZOO-SSDOTTSWSA-N 0 0 184.264 1.361 10 0 ADAERN CC1=NO[C@H](c2ccc(C)cc2)[C@H]1O 238191594 573904795 /nfs/dbraw/zinc/90/47/95/573904795.db2.gz RDMHCVQDDBYFQE-WDEREUQCSA-N 0 0 191.230 1.803 10 0 ADAERN Cc1ccccc1-n1nnc(C)c1N 257896061 573904798 /nfs/dbraw/zinc/90/47/98/573904798.db2.gz XYEUGKXTCPBKGS-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC1(C)SC(C)(C)[C@H](O)C1=O 238193258 573904828 /nfs/dbraw/zinc/90/48/28/573904828.db2.gz GQCNBFSGSDQKEJ-RXMQYKEDSA-N 0 0 174.265 1.220 10 0 ADAERN CC(C)=C[C@@H](O)C1=S=CC(C)=N1 642823110 573904834 /nfs/dbraw/zinc/90/48/34/573904834.db2.gz VOZFETSGCQQBCY-MRVPVSSYSA-N 0 0 183.276 1.085 10 0 ADAERN CC1(C)CC=C(CO)[C@](C)(O)C1 238191085 573904835 /nfs/dbraw/zinc/90/48/35/573904835.db2.gz KRDPGIIVRCTDLV-SNVBAGLBSA-N 0 0 170.252 1.476 10 0 ADAERN CC1(C)C(=O)Cc2cccc(CO)c21 238192875 573904840 /nfs/dbraw/zinc/90/48/40/573904840.db2.gz OBKVXYWTZKRNEV-UHFFFAOYSA-N 0 0 190.242 1.582 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](n2cc([O-])cn2)C1 257903886 573904844 /nfs/dbraw/zinc/90/48/44/573904844.db2.gz ICHZRHZAAWXJNC-SECBINFHSA-N 0 0 195.266 1.244 10 0 ADAERN CC1(C)CCC(=O)C(C)(C)O1 238193174 573904848 /nfs/dbraw/zinc/90/48/48/573904848.db2.gz JOQXRBMBGBZCNW-UHFFFAOYSA-N 0 0 156.225 1.923 10 0 ADAERN Cc1ccc2c(c1)C[C@H](CCO)CN2 257896068 573904863 /nfs/dbraw/zinc/90/48/63/573904863.db2.gz XYIPUFPJDZNZSR-JTQLQIEISA-N 0 0 191.274 1.962 10 0 ADAERN CONC(=O)[C@H](C)c1ccccc1 80698466 573904870 /nfs/dbraw/zinc/90/48/70/573904870.db2.gz CFVATHLYBHQXBU-MRVPVSSYSA-N 0 0 179.219 1.468 10 0 ADAERN CSc1ccc(N(C)CNN)cc1 259225648 573904872 /nfs/dbraw/zinc/90/48/72/573904872.db2.gz XZVKQULETHCJHM-UHFFFAOYSA-N 0 0 197.307 1.266 10 0 ADAERN CCOc1ccc([C@@H](N)NC)cc1F 259230086 573904890 /nfs/dbraw/zinc/90/48/90/573904890.db2.gz HFMMMPKFSRMGGZ-JTQLQIEISA-N 0 0 198.241 1.401 10 0 ADAERN Cc1ncoc1C(=O)N[C@H]1CC12CC2 335496934 573904908 /nfs/dbraw/zinc/90/49/08/573904908.db2.gz VCURHUGSCZRKEU-ZETCQYMHSA-N 0 0 192.218 1.265 10 0 ADAERN CC(=O)Cc1noc(CC(C)C)n1 257896166 573904910 /nfs/dbraw/zinc/90/49/10/573904910.db2.gz CYOKOXGJPXBJHJ-UHFFFAOYSA-N 0 0 182.223 1.400 10 0 ADAERN COC(=O)C=C(NC1CC1)C(C)C 308461612 573904925 /nfs/dbraw/zinc/90/49/25/573904925.db2.gz HQQYHCMJUAHMHM-TWGQIWQCSA-N 0 0 183.251 1.451 10 0 ADAERN CC1(C)C[C@H](C(=O)[O-])CC[N@@H+]1C1CC1 259225366 573904938 /nfs/dbraw/zinc/90/49/38/573904938.db2.gz DFNLVUXHVYLVBG-MRVPVSSYSA-N 0 0 197.278 1.724 10 0 ADAERN CC1=N[C@@](C)(c2ccccc2)C(=O)N1 238193196 573904940 /nfs/dbraw/zinc/90/49/40/573904940.db2.gz WZZMONMGTRNZHF-NSHDSACASA-N 0 0 188.230 1.450 10 0 ADAERN Cc1ccn(Cc2nccs2)n1 87397334 573904944 /nfs/dbraw/zinc/90/49/44/573904944.db2.gz WZRSHUSXSGZYIG-UHFFFAOYSA-N 0 0 179.248 1.696 10 0 ADAERN CCC(=O)C1=NC[C@H](C)S1 238192847 573904947 /nfs/dbraw/zinc/90/49/47/573904947.db2.gz FDELAFHJBGUAAR-YFKPBYRVSA-N 0 0 157.238 1.499 10 0 ADAERN CCCc1c[nH]c(C2(CO)CCC2)n1 259226381 573904955 /nfs/dbraw/zinc/90/49/55/573904955.db2.gz ZVTSXOMGVYNICU-UHFFFAOYSA-N 0 0 194.278 1.776 10 0 ADAERN Cc1coc(N[C@H]2CCSC2)n1 76628935 573904959 /nfs/dbraw/zinc/90/49/59/573904959.db2.gz XBQLTDFINASSBJ-ZETCQYMHSA-N 0 0 184.264 1.900 10 0 ADAERN CC1(C)O[C@]2(C)[C@H](C1=O)C2(C)C 238192604 573904962 /nfs/dbraw/zinc/90/49/62/573904962.db2.gz HBEILRRZMUPKPD-LHLIQPBNSA-N 0 0 168.236 1.779 10 0 ADAERN C[N@@H+]1CCC(C2CCC2)=C(C(=O)[O-])C1 257904259 573906056 /nfs/dbraw/zinc/90/60/56/573906056.db2.gz ZGUBKQXEVFDGSZ-UHFFFAOYSA-N 0 0 195.262 1.503 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)c1cnsc1 689911994 573906059 /nfs/dbraw/zinc/90/60/59/573906059.db2.gz ABZADIPIOBRWAI-RNFRBKRXSA-N 0 0 183.232 1.361 10 0 ADAERN Cc1csc(C[C@]2(O)CCOC2)n1 87394297 573906066 /nfs/dbraw/zinc/90/60/66/573906066.db2.gz TYZFJDLZZPMQDD-SECBINFHSA-N 0 0 199.275 1.145 10 0 ADAERN Nc1cncc(OCC2CCC2)c1 257904083 573906070 /nfs/dbraw/zinc/90/60/70/573906070.db2.gz PLFCDJDOXBQUGP-UHFFFAOYSA-N 0 0 178.235 1.843 10 0 ADAERN Cc1nc(Cl)nc(C)c1CCO 258177954 573906074 /nfs/dbraw/zinc/90/60/74/573906074.db2.gz ZJEUBQLSYMETMN-UHFFFAOYSA-N 0 0 186.642 1.282 10 0 ADAERN CCn1nnc(C(C)C)c1C=O 258450205 573906082 /nfs/dbraw/zinc/90/60/82/573906082.db2.gz FSYGLOZNTRPYGR-UHFFFAOYSA-N 0 0 167.212 1.234 10 0 ADAERN OCC1(Cc2nccs2)CCC1 87398425 573906123 /nfs/dbraw/zinc/90/61/23/573906123.db2.gz XIGOCGPYDLIMRR-UHFFFAOYSA-N 0 0 183.276 1.848 10 0 ADAERN Cc1cc(N)cnc1-c1ccn(C)n1 235787695 573906128 /nfs/dbraw/zinc/90/61/28/573906128.db2.gz TXGAWJGWTSHIEP-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)[N@@H+]1C[C@H](CC(=O)[O-])CC1(C)C 259228897 573906150 /nfs/dbraw/zinc/90/61/50/573906150.db2.gz DHHNFQYVFZVTTR-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN CC1=NO[C@H](c2ccc(C)cc2)[C@@H]1O 238191576 573906171 /nfs/dbraw/zinc/90/61/71/573906171.db2.gz RDMHCVQDDBYFQE-GHMZBOCLSA-N 0 0 191.230 1.803 10 0 ADAERN Cc1csc(C[C@@]2(O)CCOC2)n1 87394299 573906203 /nfs/dbraw/zinc/90/62/03/573906203.db2.gz TYZFJDLZZPMQDD-VIFPVBQESA-N 0 0 199.275 1.145 10 0 ADAERN OC[C@@H]1CCCc2nc(C3CC3)nn21 258451980 573906227 /nfs/dbraw/zinc/90/62/27/573906227.db2.gz PMKDRZAZXMZPLY-QMMMGPOBSA-N 0 0 193.250 1.025 10 0 ADAERN CONC(=O)[C@@H](C)c1ccccc1 80698457 573906233 /nfs/dbraw/zinc/90/62/33/573906233.db2.gz CFVATHLYBHQXBU-QMMMGPOBSA-N 0 0 179.219 1.468 10 0 ADAERN CC1(C)C(=O)Cc2c(CO)cccc21 238192194 573906241 /nfs/dbraw/zinc/90/62/41/573906241.db2.gz GFYBRSVSFYKPSN-UHFFFAOYSA-N 0 0 190.242 1.582 10 0 ADAERN CC(=O)c1ccccc1[C@@H](C)O 80674726 573906909 /nfs/dbraw/zinc/90/69/09/573906909.db2.gz VYUGBSHERCSIDQ-SSDOTTSWSA-N 0 0 164.204 1.943 10 0 ADAERN Cc1ccc(C[C@@H](O)C(C)(C)O)cc1 235788481 573906287 /nfs/dbraw/zinc/90/62/87/573906287.db2.gz OARHMFIBXXAODN-LLVKDONJSA-N 0 0 194.274 1.669 10 0 ADAERN Oc1cccc([C@]2(O)CCCOC2)c1 257896086 573906298 /nfs/dbraw/zinc/90/62/98/573906298.db2.gz XYVQRZSSPYYDQC-NSHDSACASA-N 0 0 194.230 1.390 10 0 ADAERN COCCOCOc1cccc(N)c1 308461719 573906304 /nfs/dbraw/zinc/90/63/04/573906304.db2.gz FTAPSOREZBTDMZ-UHFFFAOYSA-N 0 0 197.234 1.268 10 0 ADAERN CC[C@H](C[NH2+]C)c1n[n-]c(=S)o1 259233402 573906307 /nfs/dbraw/zinc/90/63/07/573906307.db2.gz PEGPPNIDKMYOGR-RXMQYKEDSA-N 0 0 187.268 1.071 10 0 ADAERN CC(C)c1cnc(N(C)CCO)nc1 259233894 573906319 /nfs/dbraw/zinc/90/63/19/573906319.db2.gz CNSFYNLMYPKQEX-UHFFFAOYSA-N 0 0 195.266 1.029 10 0 ADAERN CC[C@H](O)COCCC(F)(F)F 131691407 573906326 /nfs/dbraw/zinc/90/63/26/573906326.db2.gz TYACBTCQPHDTBS-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN C[C@@]1(C2CCC2)CCNC(=O)N1 258521001 573906333 /nfs/dbraw/zinc/90/63/33/573906333.db2.gz MFWDCNMINCQUMG-VIFPVBQESA-N 0 0 168.240 1.248 10 0 ADAERN CCc1c(N)n[nH]c1[C@@H]1CCCCO1 257895971 573906340 /nfs/dbraw/zinc/90/63/40/573906340.db2.gz XWYMIFHURBZNPY-QMMMGPOBSA-N 0 0 195.266 1.796 10 0 ADAERN COC(=O)CN(C)c1ccc(C)o1 259000654 573906343 /nfs/dbraw/zinc/90/63/43/573906343.db2.gz YXZLGNLKVADQKT-UHFFFAOYSA-N 0 0 183.207 1.197 10 0 ADAERN O=C([O-])/C=C/C[NH2+]CCCCC1CC1 716384476 573906357 /nfs/dbraw/zinc/90/63/57/573906357.db2.gz HWAVIRCRTUXKGD-HWKANZROSA-N 0 0 197.278 1.797 10 0 ADAERN O=C(CO)CC1CCCCC1 80687219 573906372 /nfs/dbraw/zinc/90/63/72/573906372.db2.gz HSSDYGWHUURFJR-UHFFFAOYSA-N 0 0 156.225 1.518 10 0 ADAERN OCC[C@H]1Cc2cc(O)ccc2O1 258177522 573906380 /nfs/dbraw/zinc/90/63/80/573906380.db2.gz SMBDFFDRVIEJSC-VIFPVBQESA-N 0 0 180.203 1.078 10 0 ADAERN CC[C@H](O)c1cc(O)ccc1N 258445785 573906387 /nfs/dbraw/zinc/90/63/87/573906387.db2.gz FMLUJQZISVJIEU-VIFPVBQESA-N 0 0 167.208 1.418 10 0 ADAERN Cc1cc(N)cnc1-c1cncnc1 235788048 573906390 /nfs/dbraw/zinc/90/63/90/573906390.db2.gz XBTIPPDKORJRDM-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCOc1cccc(NC=O)c1 80624637 573906396 /nfs/dbraw/zinc/90/63/96/573906396.db2.gz OLMIYRRLHYXYQS-UHFFFAOYSA-N 0 0 165.192 1.654 10 0 ADAERN Oc1cccc([C@@]2(O)CCCOC2)c1 257896084 573906419 /nfs/dbraw/zinc/90/64/19/573906419.db2.gz XYVQRZSSPYYDQC-LLVKDONJSA-N 0 0 194.230 1.390 10 0 ADAERN C[C@H](c1ncc(CO)o1)C1CC1 642821833 573906439 /nfs/dbraw/zinc/90/64/39/573906439.db2.gz OOOYYVOWBKBFST-LURJTMIESA-N 0 0 166.200 1.098 10 0 ADAERN COC(=O)C1(c2nc(C)cs2)CC1 259232033 573906450 /nfs/dbraw/zinc/90/64/50/573906450.db2.gz JVQJECJEXOTMFJ-UHFFFAOYSA-N 0 0 197.259 1.656 10 0 ADAERN CCc1oc(CO)nc1C(C)C 258450218 573906461 /nfs/dbraw/zinc/90/64/61/573906461.db2.gz FUBWFEFIQHWSTB-UHFFFAOYSA-N 0 0 169.224 1.853 10 0 ADAERN CCc1nccn1C[C@H](C)C(=O)OC 41671730 573906463 /nfs/dbraw/zinc/90/64/63/573906463.db2.gz FFZRHNWWHAZAMZ-QMMMGPOBSA-N 0 0 196.250 1.255 10 0 ADAERN Cc1[nH]cc2c1CCC2 45802977 573906497 /nfs/dbraw/zinc/90/64/97/573906497.db2.gz AKFFMWPASGGNQC-UHFFFAOYSA-N 0 0 121.183 1.812 10 0 ADAERN CC(C)C(=O)NC(=O)C1=CCCCC1 238193632 573906511 /nfs/dbraw/zinc/90/65/11/573906511.db2.gz UQAQNUQALQQXHT-UHFFFAOYSA-N 0 0 195.262 1.786 10 0 ADAERN Cc1[nH]cnc1-c1ccc(C=O)o1 45820880 573906539 /nfs/dbraw/zinc/90/65/39/573906539.db2.gz USILJYXKZNZZMU-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1ccc([C@@]2(C)OC[C@H](CO)O2)o1 258450004 573906554 /nfs/dbraw/zinc/90/65/54/573906554.db2.gz DBDVMRQSKZDGPI-WPRPVWTQSA-N 0 0 198.218 1.168 10 0 ADAERN O[C@@H]1CC[C@@H](OCCC(F)(F)F)C1 131699991 573906568 /nfs/dbraw/zinc/90/65/68/573906568.db2.gz JPSCDZMVLPILPQ-RNFRBKRXSA-N 0 0 198.184 1.869 10 0 ADAERN CCC[N@H+](CC1CC1)[C@H](C)C(=O)[O-] 44384059 573906607 /nfs/dbraw/zinc/90/66/07/573906607.db2.gz GLSOVZUQTFHBKP-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN O=Cc1cc([C@@H]2CCCO2)no1 45814244 573906616 /nfs/dbraw/zinc/90/66/16/573906616.db2.gz HFGLNMKTCJMXQB-QMMMGPOBSA-N 0 0 167.164 1.339 10 0 ADAERN CC[C@@](C)([NH2+]CC1CCC1)C(=O)[O-] 41792379 573906622 /nfs/dbraw/zinc/90/66/22/573906622.db2.gz JKYIXSUQBAQCGD-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN CCn1nc(N)c2c1CC[C@]2(C)F 257903907 573906654 /nfs/dbraw/zinc/90/66/54/573906654.db2.gz PJXJSFGIWVBBDS-VIFPVBQESA-N 0 0 183.230 1.616 10 0 ADAERN O=Cc1noc([C@@H]2CCSC2)n1 257896159 573906660 /nfs/dbraw/zinc/90/66/60/573906660.db2.gz CYNTXPQUJOIBHE-RXMQYKEDSA-N 0 0 184.220 1.103 10 0 ADAERN Oc1cccc2c1[C@@H](O)CCO2 258451648 573906678 /nfs/dbraw/zinc/90/66/78/573906678.db2.gz FZNGKSFIXOCQGB-ZETCQYMHSA-N 0 0 166.176 1.208 10 0 ADAERN CC1(C)CCC(=S)NC1=O 238195073 573906689 /nfs/dbraw/zinc/90/66/89/573906689.db2.gz MVMCQMCZYFSMHI-UHFFFAOYSA-N 0 0 157.238 1.250 10 0 ADAERN CC(C)Cc1cc(C2([NH3+])CC2)nn1C 257904064 573906699 /nfs/dbraw/zinc/90/66/99/573906699.db2.gz ZDBFUCHRKBHVSX-UHFFFAOYSA-N 0 0 193.294 1.566 10 0 ADAERN CCC(O)(CC)c1ncnn1C(C)C 308461918 573906730 /nfs/dbraw/zinc/90/67/30/573906730.db2.gz GLHVHCWMLWFDAH-UHFFFAOYSA-N 0 0 197.282 1.867 10 0 ADAERN OCc1nc(-c2ccccc2O)co1 257895996 573906745 /nfs/dbraw/zinc/90/67/45/573906745.db2.gz XXGODFNWRUDFGR-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN COCCC[NH2+][C@@H](C(F)F)C1CC1 308461653 573906766 /nfs/dbraw/zinc/90/67/66/573906766.db2.gz HSNBYVXXVQTPGM-MRVPVSSYSA-N 0 0 193.237 1.656 10 0 ADAERN Cc1cnc([C@@H]2CSCCN2)o1 257903731 573906785 /nfs/dbraw/zinc/90/67/85/573906785.db2.gz PHAMKICZKSYZOO-ZETCQYMHSA-N 0 0 184.264 1.361 10 0 ADAERN C[NH2+]C1(c2cccc(O)c2)CC(F)C1 257904117 573906789 /nfs/dbraw/zinc/90/67/89/573906789.db2.gz ZEANDJNZYOYNHJ-UHFFFAOYSA-N 0 0 195.237 1.939 10 0 ADAERN C[C@@H](O)CCOCCC(F)(F)F 131696751 573906802 /nfs/dbraw/zinc/90/68/02/573906802.db2.gz ZEWBVLLRCTVDAC-ZCFIWIBFSA-N 0 0 186.173 1.726 10 0 ADAERN Cc1c[nH]c(C(=O)N(C)C)c1 45823877 573906804 /nfs/dbraw/zinc/90/68/04/573906804.db2.gz CMISHEJEPMDLSW-UHFFFAOYSA-N 0 0 152.197 1.025 10 0 ADAERN Cc1oc(CCCO)cc1CO 44396091 573906822 /nfs/dbraw/zinc/90/68/22/573906822.db2.gz IMZGFWRSUFMRQT-UHFFFAOYSA-N 0 0 170.208 1.005 10 0 ADAERN OC[C@]1(c2ccccc2F)CCO1 258450871 573906833 /nfs/dbraw/zinc/90/68/33/573906833.db2.gz GCUVOHYJHLRLIB-JTQLQIEISA-N 0 0 182.194 1.434 10 0 ADAERN Oc1ccc([C@@]2(F)CCC[NH2+]C2)cc1 257903981 573906836 /nfs/dbraw/zinc/90/68/36/573906836.db2.gz ZCEUJNLNWXKRTR-LLVKDONJSA-N 0 0 195.237 1.940 10 0 ADAERN Cc1coc(N[C@@H]2CCSC2)n1 76628930 573906876 /nfs/dbraw/zinc/90/68/76/573906876.db2.gz XBQLTDFINASSBJ-SSDOTTSWSA-N 0 0 184.264 1.900 10 0 ADAERN COc1cccc2c1C[C@@H](O)CN2 257895922 573906881 /nfs/dbraw/zinc/90/68/81/573906881.db2.gz OFMGHIHZOCVQOQ-SSDOTTSWSA-N 0 0 179.219 1.024 10 0 ADAERN C[C@H](O)c1ccnc(N(C)C2CC2)c1 87414407 573906887 /nfs/dbraw/zinc/90/68/87/573906887.db2.gz STHDTYVKINRULV-QMMMGPOBSA-N 0 0 192.262 1.734 10 0 ADAERN C=C/C=C\[C@@H](O)CCC1=CCOC1=O 213035866 573908326 /nfs/dbraw/zinc/90/83/26/573908326.db2.gz VCPAODUVEGGQTM-UMBAGQNISA-N 0 0 194.230 1.353 10 0 ADAERN Cc1c([C@@H]([NH3+])CC(C)C)o[n-]c1=O 238194244 573908346 /nfs/dbraw/zinc/90/83/46/573908346.db2.gz WQHCZYMQGJVSMB-ZETCQYMHSA-N 0 0 184.239 1.322 10 0 ADAERN CCCc1cnnc([C@H](C)NC)n1 257896760 573908359 /nfs/dbraw/zinc/90/83/59/573908359.db2.gz OHIAPYMOQKNDTD-ZETCQYMHSA-N 0 0 180.255 1.105 10 0 ADAERN COC[N@H+](C)C1CCC1 259229020 573908364 /nfs/dbraw/zinc/90/83/64/573908364.db2.gz YEFFGDAFBRJSBD-UHFFFAOYSA-N 0 0 129.203 1.075 10 0 ADAERN CCC[C@@H](O)/C=C\C(=O)OCC 215804764 573908377 /nfs/dbraw/zinc/90/83/77/573908377.db2.gz QBWJOBQGZHROSL-NFXKFNAJSA-N 0 0 172.224 1.267 10 0 ADAERN CC[N@@H+]1CC[C@H](N(C)CC(F)F)C1 308462349 573908407 /nfs/dbraw/zinc/90/84/07/573908407.db2.gz HYHHBFLDLRYJLZ-QMMMGPOBSA-N 0 0 192.253 1.278 10 0 ADAERN COC[C@@H](CO)c1cccc(OC)c1 258179211 573908417 /nfs/dbraw/zinc/90/84/17/573908417.db2.gz OKMDYUPDNHRVHU-SNVBAGLBSA-N 0 0 196.246 1.418 10 0 ADAERN CC(=O)Cc1noc(C2CCC2)n1 257896252 573908422 /nfs/dbraw/zinc/90/84/22/573908422.db2.gz DAZARLZBWSTJPQ-UHFFFAOYSA-N 0 0 180.207 1.469 10 0 ADAERN CC[C@@H](C[NH2+]C)c1n[n-]c(=S)o1 259233404 573908430 /nfs/dbraw/zinc/90/84/30/573908430.db2.gz PEGPPNIDKMYOGR-YFKPBYRVSA-N 0 0 187.268 1.071 10 0 ADAERN C[C@H](O)[C@@H]1Cc2cc(F)ccc2N1C 258179819 573908454 /nfs/dbraw/zinc/90/84/54/573908454.db2.gz SOVFYBGBDLNIAW-CPCISQLKSA-N 0 0 195.237 1.567 10 0 ADAERN O[C@H]1CCC[C@@H]1OCCC(F)(F)F 131696142 573908455 /nfs/dbraw/zinc/90/84/55/573908455.db2.gz CIEPLGFGGMVCLB-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN Oc1cccc2c1[C@H](O)CCO2 258451644 573908480 /nfs/dbraw/zinc/90/84/80/573908480.db2.gz FZNGKSFIXOCQGB-SSDOTTSWSA-N 0 0 166.176 1.208 10 0 ADAERN CCC[C@@H]1OC[C@@H](CC)N1C(C)=O 307999640 573908488 /nfs/dbraw/zinc/90/84/88/573908488.db2.gz RMHFQFPPQWGNAU-ZJUUUORDSA-N 0 0 185.267 1.770 10 0 ADAERN COC(=O)[C@H](ON)c1ccc(C)cc1 257896911 573908492 /nfs/dbraw/zinc/90/84/92/573908492.db2.gz YBMKAWUGPRDRSW-SECBINFHSA-N 0 0 195.218 1.099 10 0 ADAERN CCO[C@H]1OC(=N)c2cnccc21 205804114 573908513 /nfs/dbraw/zinc/90/85/13/573908513.db2.gz JKXFZYXSUQIKIZ-VIFPVBQESA-N 0 0 178.191 1.472 10 0 ADAERN CN1CCCC[C@H]1c1cc(C=O)no1 259232546 573908521 /nfs/dbraw/zinc/90/85/21/573908521.db2.gz MPLJBXNBNJTQIP-VIFPVBQESA-N 0 0 194.234 1.644 10 0 ADAERN CCC[C@H](C)Nc1cncc(N)n1 84544763 573908528 /nfs/dbraw/zinc/90/85/28/573908528.db2.gz PIBRHUQEIIRZQM-ZETCQYMHSA-N 0 0 180.255 1.659 10 0 ADAERN N#CNc1ncc(-c2cc[nH]c2)cn1 259228619 573908534 /nfs/dbraw/zinc/90/85/34/573908534.db2.gz JVBVLMPCOAFCDP-UHFFFAOYSA-N 0 0 185.190 1.365 10 0 ADAERN CN1CCC[C@@H](NCC(C)(F)F)C1 642821675 573908543 /nfs/dbraw/zinc/90/85/43/573908543.db2.gz CHPDCMBVPBMCFT-MRVPVSSYSA-N 0 0 192.253 1.325 10 0 ADAERN CC1(C)O[C@@](C)([C@H]2CO2)CC[C@@H]1O 238193960 573908574 /nfs/dbraw/zinc/90/85/74/573908574.db2.gz MZCXXJXIYVGDLS-QXFUBDJGSA-N 0 0 186.251 1.094 10 0 ADAERN CCc1ncc2n1[C@H](O)CCC2 258449672 573908578 /nfs/dbraw/zinc/90/85/78/573908578.db2.gz WVFGUWAOHFDPSI-SECBINFHSA-N 0 0 166.224 1.273 10 0 ADAERN CC(C)(O)c1ccc(N)c(N)c1F 238194298 573908580 /nfs/dbraw/zinc/90/85/80/573908580.db2.gz LGRSMMMEBMJSBQ-UHFFFAOYSA-N 0 0 184.214 1.218 10 0 ADAERN OCCCOCCC(F)(F)F 131693888 573908581 /nfs/dbraw/zinc/90/85/81/573908581.db2.gz KXQIZNOMUAEGTM-UHFFFAOYSA-N 0 0 172.146 1.338 10 0 ADAERN CCc1nnc([C@@H](N)CC(C)C)o1 11586570 573908582 /nfs/dbraw/zinc/90/85/82/573908582.db2.gz UHAPEFMIYDOMRO-ZETCQYMHSA-N 0 0 183.255 1.678 10 0 ADAERN CC(C)(O)c1cccccc1=O 238194949 573908601 /nfs/dbraw/zinc/90/86/01/573908601.db2.gz PVGSALVFFHEKPJ-UHFFFAOYSA-N 0 0 164.204 1.274 10 0 ADAERN CC1(C)O[C@H]2C=CCC(=O)[C@@H]2O1 238194792 573908605 /nfs/dbraw/zinc/90/86/05/573908605.db2.gz CSMYFOQNWBXUAS-YUMQZZPRSA-N 0 0 168.192 1.036 10 0 ADAERN CCN1N=CC(=O)C1C1CCC1 258451628 573908606 /nfs/dbraw/zinc/90/86/06/573908606.db2.gz FZDKMULYXIHJRI-UHFFFAOYSA-N 0 0 166.224 1.876 10 0 ADAERN C[C@H](O)[C@H]1Cc2cc(F)ccc2N1C 258179835 573908616 /nfs/dbraw/zinc/90/86/16/573908616.db2.gz SOVFYBGBDLNIAW-WRWORJQWSA-N 0 0 195.237 1.567 10 0 ADAERN O[C@@H]1CCC[C@@H]1OCCC(F)(F)F 131696361 573908620 /nfs/dbraw/zinc/90/86/20/573908620.db2.gz CIEPLGFGGMVCLB-RQJHMYQMSA-N 0 0 198.184 1.869 10 0 ADAERN Oc1ccc2c(c1)N1CCC[C@H]1CN2 76634402 573908633 /nfs/dbraw/zinc/90/86/33/573908633.db2.gz BCDRNRFRJPQGHB-QMMMGPOBSA-N 0 0 190.246 1.787 10 0 ADAERN C[C@@](O)(CON)C1CCCCC1 257896824 573908646 /nfs/dbraw/zinc/90/86/46/573908646.db2.gz OIMXSCSMRDFHEW-SECBINFHSA-N 0 0 173.256 1.208 10 0 ADAERN C=COc1ccco1 80771690 573908674 /nfs/dbraw/zinc/90/86/74/573908674.db2.gz OSQJVOSBVBYUMQ-UHFFFAOYSA-N 0 0 110.112 1.802 10 0 ADAERN Oc1ccc2c(c1)NC[C@H]1CCCN21 76634398 573908679 /nfs/dbraw/zinc/90/86/79/573908679.db2.gz QZYGXPGIIYTAAV-MRVPVSSYSA-N 0 0 190.246 1.787 10 0 ADAERN CC(C)[C@@](C[NH3+])(C(=O)[O-])C(C)(C)F 257896885 573908694 /nfs/dbraw/zinc/90/86/94/573908694.db2.gz YBGJNQHIPLYKCS-VIFPVBQESA-N 0 0 191.246 1.420 10 0 ADAERN CC[C@@H](CO)c1nc(C)cc(C)n1 258999863 573908697 /nfs/dbraw/zinc/90/86/97/573908697.db2.gz DAZVBKJQSYJZOK-VIFPVBQESA-N 0 0 180.251 1.579 10 0 ADAERN C[C@@H](O)c1ccnc(-n2cccn2)c1 87414573 573908713 /nfs/dbraw/zinc/90/87/13/573908713.db2.gz LNVPJGOIPRUJIQ-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN C[C@H](O)CCOCCC(F)(F)F 131696575 573908744 /nfs/dbraw/zinc/90/87/44/573908744.db2.gz ZEWBVLLRCTVDAC-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN C[NH2+][C@@H](C)c1coc(CC[NH+](C)C)n1 257896634 573908752 /nfs/dbraw/zinc/90/87/52/573908752.db2.gz 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/nfs/dbraw/zinc/90/88/27/573908827.db2.gz RPAIBUMCIVKMSU-LURJTMIESA-N 0 0 185.292 1.931 10 0 ADAERN CC(=O)CCN(C)c1cccnc1 259000506 573908831 /nfs/dbraw/zinc/90/88/31/573908831.db2.gz YVPAEQLLPBKCTI-UHFFFAOYSA-N 0 0 178.235 1.497 10 0 ADAERN CN(C)C(=O)N(C)/C(Cl)=C/Cl 222798191 573908837 /nfs/dbraw/zinc/90/88/37/573908837.db2.gz QMPFIYYOQAWCRD-SNAWJCMRSA-N 0 0 197.065 1.876 10 0 ADAERN Cn1ccc(N)c1Cc1cccnc1 76632472 573908838 /nfs/dbraw/zinc/90/88/38/573908838.db2.gz QTFZPZJWKQKCJW-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN CCn1[nH]c(=O)c2c1CCSC2 257896782 573908843 /nfs/dbraw/zinc/90/88/43/573908843.db2.gz OHWLGZVLPUQGBS-UHFFFAOYSA-N 0 0 184.264 1.398 10 0 ADAERN C=CC(=O)Nc1ccc(OCC)nc1 87399234 573908846 /nfs/dbraw/zinc/90/88/46/573908846.db2.gz LPVLMYNEHHYDHD-UHFFFAOYSA-N 0 0 192.218 1.605 10 0 ADAERN C[C@@H](F)c1cc(CCO)ccc1O 258179017 573908856 /nfs/dbraw/zinc/90/88/56/573908856.db2.gz WKCAHCCVNCQTCP-SSDOTTSWSA-N 0 0 184.210 1.958 10 0 ADAERN CCC(C)(C)[C@H]1CC[C@@H](CO)O1 238194447 573908859 /nfs/dbraw/zinc/90/88/59/573908859.db2.gz DNYUBEVCKYIOLJ-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN CCOc1ccc(NC)cn1 87399535 573908873 /nfs/dbraw/zinc/90/88/73/573908873.db2.gz VZBWHAHOGHIRLZ-UHFFFAOYSA-N 0 0 152.197 1.522 10 0 ADAERN C[C@@H]1C[C@]1(CO)C1CCC1 259000042 573908875 /nfs/dbraw/zinc/90/88/75/573908875.db2.gz MTFVIXSQJQAVKE-VXNVDRBHSA-N 0 0 140.226 1.805 10 0 ADAERN C[C@@H](O)c1ccnc(N(C)C2CC2)c1 87414408 573908878 /nfs/dbraw/zinc/90/88/78/573908878.db2.gz STHDTYVKINRULV-MRVPVSSYSA-N 0 0 192.262 1.734 10 0 ADAERN Cn1nc(N)cc1C1CCSCC1 257896948 573908879 /nfs/dbraw/zinc/90/88/79/573908879.db2.gz YCCCAIDJBSLVGD-UHFFFAOYSA-N 0 0 197.307 1.613 10 0 ADAERN Cc1cc(=O)n(-c2ccccc2N)[nH]1 102959198 573908895 /nfs/dbraw/zinc/90/88/95/573908895.db2.gz BLTNZUIEECRNOY-UHFFFAOYSA-N 0 0 189.218 1.381 10 0 ADAERN COc1ncccc1Cn1cccc1 87415452 573908897 /nfs/dbraw/zinc/90/88/97/573908897.db2.gz UFLHDWNGHUGXBK-UHFFFAOYSA-N 0 0 188.230 1.940 10 0 ADAERN C[C@@H]1CC[C@@H](CC(=O)[O-])[N@H+](C)CC1 76630579 573908904 /nfs/dbraw/zinc/90/89/04/573908904.db2.gz XUHVTTSSUQRKIC-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCOc1ccc(CCON)c(F)c1 258179800 573908915 /nfs/dbraw/zinc/90/89/15/573908915.db2.gz QSYGCNMGMMDBMD-UHFFFAOYSA-N 0 0 199.225 1.657 10 0 ADAERN Nc1c[nH]cc1-c1ccc(O)cc1 258179492 573908931 /nfs/dbraw/zinc/90/89/31/573908931.db2.gz SHVNMCPQNGNOQP-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN COc1ccc2c(c1)[C@H](C(C)=O)CO2 258179789 573908940 /nfs/dbraw/zinc/90/89/40/573908940.db2.gz SOQCSDRZZWHAAG-JTQLQIEISA-N 0 0 192.214 1.760 10 0 ADAERN Cn1cc(N)cc1Cc1ccccn1 76632500 573908947 /nfs/dbraw/zinc/90/89/47/573908947.db2.gz XUQOALZBDVLNKT-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN CC1=C(C)C(C)(C)[C@H]1O 238195109 573908952 /nfs/dbraw/zinc/90/89/52/573908952.db2.gz SIYDBDZWUJCCMT-ZETCQYMHSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)Cc1ccc[nH]1 306788772 573908960 /nfs/dbraw/zinc/90/89/60/573908960.db2.gz OVTZTDKHQIMSRW-APPZFPTMSA-N 0 0 178.235 1.082 10 0 ADAERN C[C@H]1CC[C@@H](CC(=O)[O-])[N@H+](C)CC1 76630584 573908964 /nfs/dbraw/zinc/90/89/64/573908964.db2.gz XUHVTTSSUQRKIC-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](CO)c1ccc2nccnc2c1 258179033 573908970 /nfs/dbraw/zinc/90/89/70/573908970.db2.gz WKKDAKUWDPAFMQ-QMMMGPOBSA-N 0 0 188.230 1.726 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](Cc1ccco1)NN 253005228 573908990 /nfs/dbraw/zinc/90/89/90/573908990.db2.gz MHQGTVSSEDELAX-JEZHCXPESA-N 0 0 180.251 1.310 10 0 ADAERN CC(C)[C@H]1C[C@H](O)[C@]2(C)O[C@@H]2C1 238195556 573909008 /nfs/dbraw/zinc/90/90/08/573909008.db2.gz YILPJEBLOPVZOL-QEYWKRMJSA-N 0 0 170.252 1.571 10 0 ADAERN CCn1c(Cl)cnc1N(C)C 258453779 573909018 /nfs/dbraw/zinc/90/90/18/573909018.db2.gz GMNMIFFFCTYKCN-UHFFFAOYSA-N 0 0 173.647 1.622 10 0 ADAERN COC(=O)[C@@H](O)CC1(C)CCCC1 393570778 573909021 /nfs/dbraw/zinc/90/90/21/573909021.db2.gz XQOPHISHRQGZSV-QMMMGPOBSA-N 0 0 186.251 1.491 10 0 ADAERN CCn1ncc2[nH]c(C=O)cc21 258454903 573909048 /nfs/dbraw/zinc/90/90/48/573909048.db2.gz GJVYOWQCBCWIOI-UHFFFAOYSA-N 0 0 163.180 1.197 10 0 ADAERN COC[C@H](CO)c1cccc(OC)c1 258179206 573909065 /nfs/dbraw/zinc/90/90/65/573909065.db2.gz OKMDYUPDNHRVHU-JTQLQIEISA-N 0 0 196.246 1.418 10 0 ADAERN C[C@H]1Nc2c(O)cccc2NC1=O 259232564 573909073 /nfs/dbraw/zinc/90/90/73/573909073.db2.gz MPTCJMHEVHARIH-RXMQYKEDSA-N 0 0 178.191 1.145 10 0 ADAERN CC[NH2+][C@@H]1CCCC[C@H]1C(=O)[O-] 80741897 573909075 /nfs/dbraw/zinc/90/90/75/573909075.db2.gz YLFODCOFBWELKE-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN CC1=N[C@H](O)[C@@H](c2ccccc2)O1 238193625 573909084 /nfs/dbraw/zinc/90/90/84/573909084.db2.gz QTTVOKQWWJHWJV-NXEZZACHSA-N 0 0 177.203 1.495 10 0 ADAERN COC(=O)[C@@H]1[C@H](OC)C12CCCC2 259580064 573909090 /nfs/dbraw/zinc/90/90/90/573909090.db2.gz KCANQDRMCVBWCG-YUMQZZPRSA-N 0 0 184.235 1.365 10 0 ADAERN COC(=O)[C@H](O)CC1(C)CCCC1 393570777 573909126 /nfs/dbraw/zinc/90/91/26/573909126.db2.gz XQOPHISHRQGZSV-MRVPVSSYSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)N(C)c1cc([C@H](C)O)ccn1 87414388 573909160 /nfs/dbraw/zinc/90/91/60/573909160.db2.gz KOTIOYLQURPQKO-VIFPVBQESA-N 0 0 194.278 1.980 10 0 ADAERN CCc1nccn1[C@@H](C)CC(=O)OC 41671742 573909166 /nfs/dbraw/zinc/90/91/66/573909166.db2.gz PAEWDNOXBRLBAR-QMMMGPOBSA-N 0 0 196.250 1.570 10 0 ADAERN CCCCCOCO[C@H](C)[C@H](C)O 238194526 573909172 /nfs/dbraw/zinc/90/91/72/573909172.db2.gz UOVSVYRSXYCXSC-VHSXEESVSA-N 0 0 190.283 1.937 10 0 ADAERN CC1=Nc2c[nH]c(=O)nc2NC1(C)C 238195739 573909177 /nfs/dbraw/zinc/90/91/77/573909177.db2.gz PFBZIHXQPHQAJV-UHFFFAOYSA-N 0 0 192.222 1.066 10 0 ADAERN Cc1csc(N[C@@H]2CCOC2)n1 76628962 573909179 /nfs/dbraw/zinc/90/91/79/573909179.db2.gz DYWUWNQQMUFSGU-SSDOTTSWSA-N 0 0 184.264 1.652 10 0 ADAERN COc1cccc2c1[C@H](CO)C2 258521322 573909180 /nfs/dbraw/zinc/90/91/80/573909180.db2.gz MIXKNNWLSYBMMF-QMMMGPOBSA-N 0 0 164.204 1.327 10 0 ADAERN CC1(C)SC[C@H](C(N)=O)S1 238194596 573909183 /nfs/dbraw/zinc/90/91/83/573909183.db2.gz MVCOSWITOWOJSC-SCSAIBSYSA-N 0 0 177.294 1.056 10 0 ADAERN CC(C)[C@H]1C[C@H]2CON=C2CO1 238195675 573909210 /nfs/dbraw/zinc/90/92/10/573909210.db2.gz KUBPDTBXNSBLDV-IONNQARKSA-N 0 0 169.224 1.434 10 0 ADAERN O=c1[nH]c2cc(NC3CC3)ccc2o1 76634049 573909212 /nfs/dbraw/zinc/90/92/12/573909212.db2.gz SUDXQNUUENPOMZ-UHFFFAOYSA-N 0 0 190.202 1.695 10 0 ADAERN CCC[C@H](O)[C@H](C)OCC 80742644 573909245 /nfs/dbraw/zinc/90/92/45/573909245.db2.gz NNMPOXCPCIBEJC-YUMQZZPRSA-N 0 0 146.230 1.572 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@@H]1C 84725305 573909248 /nfs/dbraw/zinc/90/92/48/573909248.db2.gz BGHQRKUUMDJGPV-ORZBULNSSA-N 0 0 183.251 1.502 10 0 ADAERN C[C@@H]1CC[N@H+](C)C[C@H](CC(=O)[O-])C1 76630774 573909255 /nfs/dbraw/zinc/90/92/55/573909255.db2.gz IKOFQYAJQCDHRG-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@](O)(CON)C1CCCCC1 257896826 573909267 /nfs/dbraw/zinc/90/92/67/573909267.db2.gz OIMXSCSMRDFHEW-VIFPVBQESA-N 0 0 173.256 1.208 10 0 ADAERN CN1CCc2cccc(C3(O)CC3)c21 258178989 573909869 /nfs/dbraw/zinc/90/98/69/573909869.db2.gz WJLDISRTFJVVBG-UHFFFAOYSA-N 0 0 189.258 1.660 10 0 ADAERN C[C@H]1CC[C@H](CC(=O)[O-])[N@H+](C)CC1 76630576 573909874 /nfs/dbraw/zinc/90/98/74/573909874.db2.gz XUHVTTSSUQRKIC-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN COc1cc(OC)nc(NC2CC2)n1 80809040 573909878 /nfs/dbraw/zinc/90/98/78/573909878.db2.gz OCYDOSALRZGCBQ-UHFFFAOYSA-N 0 0 195.222 1.068 10 0 ADAERN O[C@H]1CCC[C@H]1OCCC(F)(F)F 131695663 573909887 /nfs/dbraw/zinc/90/98/87/573909887.db2.gz CIEPLGFGGMVCLB-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN CC(=O)[C@@H](F)C[C@@H]1CCCOC1 257896853 573909918 /nfs/dbraw/zinc/90/99/18/573909918.db2.gz OJEFLSAFLRCVMU-IUCAKERBSA-N 0 0 174.215 1.730 10 0 ADAERN Cc1cc(F)c(CCON)cc1F 258179212 573909922 /nfs/dbraw/zinc/90/99/22/573909922.db2.gz WMPNQIUMMIEOJP-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN CCC(=O)CC1=CCCO1 238195080 573909957 /nfs/dbraw/zinc/90/99/57/573909957.db2.gz MPBLICGQFAMEPU-UHFFFAOYSA-N 0 0 140.182 1.660 10 0 ADAERN C[C@H](O)c1ccnc(-n2ccnc2)c1 87414578 573909960 /nfs/dbraw/zinc/90/99/60/573909960.db2.gz HJAPYZZSHCYLGJ-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN CCc1ccnc(C(C)(C)O)n1 258999974 573909962 /nfs/dbraw/zinc/90/99/62/573909962.db2.gz DDFUHPSJZKNEJW-UHFFFAOYSA-N 0 0 166.224 1.266 10 0 ADAERN Cc1cnccc1-c1nc(O)c[nH]1 235793113 573909971 /nfs/dbraw/zinc/90/99/71/573909971.db2.gz PTKZABBPNWHRNF-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN CO[C@@H](c1cc[nH]c1)N(C)C 259232315 573909973 /nfs/dbraw/zinc/90/99/73/573909973.db2.gz QTAPHGNFWBEHFA-QMMMGPOBSA-N 0 0 154.213 1.221 10 0 ADAERN CCN(C)c1cc([C@H](C)O)ccn1 87414404 573909988 /nfs/dbraw/zinc/90/99/88/573909988.db2.gz XXAYKZKCVAMPLN-QMMMGPOBSA-N 0 0 180.251 1.591 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])c1cccs1 41672124 573909989 /nfs/dbraw/zinc/90/99/89/573909989.db2.gz SJSHZJMCNRTXHB-QMMMGPOBSA-N 0 0 199.275 1.873 10 0 ADAERN CC1=C(C)C(C)(C)[C@@H]1O 238195085 573910006 /nfs/dbraw/zinc/91/00/06/573910006.db2.gz SIYDBDZWUJCCMT-SSDOTTSWSA-N 0 0 126.199 1.724 10 0 ADAERN OC[C@H](O)/C=C\c1ccccc1F 393570158 573910013 /nfs/dbraw/zinc/91/00/13/573910013.db2.gz VRRUOHRBJYWZEP-SSJHQANKSA-N 0 0 182.194 1.192 10 0 ADAERN CC1(C)O[C@@](C)([C@@H]2CO2)CC[C@@H]1O 238193944 573910014 /nfs/dbraw/zinc/91/00/14/573910014.db2.gz MZCXXJXIYVGDLS-OYNCUSHFSA-N 0 0 186.251 1.094 10 0 ADAERN Cc1ccc(C(=O)CCO)c(N)c1 257896835 573910017 /nfs/dbraw/zinc/91/00/17/573910017.db2.gz OIYDYTVOMNPNTK-UHFFFAOYSA-N 0 0 179.219 1.142 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)[C@@H]1CCOC1 84686683 573910018 /nfs/dbraw/zinc/91/00/18/573910018.db2.gz CXQQZQZDGUKVEG-MXWKQRLJSA-N 0 0 184.279 1.964 10 0 ADAERN CCC(=O)CC1(O)CCCC1 238195003 573910029 /nfs/dbraw/zinc/91/00/29/573910029.db2.gz AGNAGTCZPDBDLJ-UHFFFAOYSA-N 0 0 156.225 1.661 10 0 ADAERN O=C([O-])/C=C\C[NH2+]CCCCC1CC1 716384559 573910031 /nfs/dbraw/zinc/91/00/31/573910031.db2.gz HWAVIRCRTUXKGD-HYXAFXHYSA-N 0 0 197.278 1.797 10 0 ADAERN O=C([O-])CC12CCCC[NH+]1CCCC2 80723671 573910045 /nfs/dbraw/zinc/91/00/45/573910045.db2.gz QVRNVGOAAZHVKC-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN O=C1c2ccccc2N[C@@H]2OCC[C@@H]12 76633353 573910047 /nfs/dbraw/zinc/91/00/47/573910047.db2.gz VRQZNGDIROTSFL-GZMMTYOYSA-N 0 0 189.214 1.657 10 0 ADAERN CC(=O)Cc1nc(C(C)(C)C)no1 84672598 573910055 /nfs/dbraw/zinc/91/00/55/573910055.db2.gz DJPVEUASEBKFCE-UHFFFAOYSA-N 0 0 182.223 1.499 10 0 ADAERN CCC(=O)[C@H](C)CCCO 80810997 573910082 /nfs/dbraw/zinc/91/00/82/573910082.db2.gz SAVCDSSVZCAMGH-SSDOTTSWSA-N 0 0 144.214 1.374 10 0 ADAERN Nc1cccc2c1[C@H](O)CCO2 258455034 573910083 /nfs/dbraw/zinc/91/00/83/573910083.db2.gz GMKUZBNQYWUPPY-SSDOTTSWSA-N 0 0 165.192 1.085 10 0 ADAERN C[C@@H](CO)Cc1nccs1 87398456 573910086 /nfs/dbraw/zinc/91/00/86/573910086.db2.gz FVSGVQYPYFQHBK-ZCFIWIBFSA-N 0 0 157.238 1.314 10 0 ADAERN CCCc1nc(CO)co1 257896626 573910102 /nfs/dbraw/zinc/91/01/02/573910102.db2.gz BMUVGHIHCDKJKA-UHFFFAOYSA-N 0 0 141.170 1.119 10 0 ADAERN CN(C)C(=O)c1ccc(=S)[nH]c1 87414910 573910107 /nfs/dbraw/zinc/91/01/07/573910107.db2.gz KDVNTKNPCGWNMR-UHFFFAOYSA-N 0 0 182.248 1.072 10 0 ADAERN CCc1nccn1CCC(=O)OC 41671777 573910108 /nfs/dbraw/zinc/91/01/08/573910108.db2.gz JYRSMGKYJNOJCS-UHFFFAOYSA-N 0 0 182.223 1.009 10 0 ADAERN O[C@H](c1ccc[nH]1)c1ccco1 84717799 573910111 /nfs/dbraw/zinc/91/01/11/573910111.db2.gz ILJQXMXZGDLRBP-SECBINFHSA-N 0 0 163.176 1.689 10 0 ADAERN COc1cc(NC=O)cc(OC)c1 80777687 573910136 /nfs/dbraw/zinc/91/01/36/573910136.db2.gz MFLMTMFMKVDVSI-UHFFFAOYSA-N 0 0 181.191 1.272 10 0 ADAERN Cc1cc(C)c2[nH]c(C=O)cc2n1 257896844 573910157 /nfs/dbraw/zinc/91/01/57/573910157.db2.gz OJAYKUHWERIGJG-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN CC[C@H](C)[C@H](NN)[C@]1(C)CCCO1 253005935 573910166 /nfs/dbraw/zinc/91/01/66/573910166.db2.gz MSIPKKUCWFODDC-GUBZILKMSA-N 0 0 186.299 1.434 10 0 ADAERN CCCc1cn2c(n1)CCC[C@H]2O 258454824 573910192 /nfs/dbraw/zinc/91/01/92/573910192.db2.gz PROSBBLRZZBDJJ-SNVBAGLBSA-N 0 0 180.251 1.663 10 0 ADAERN c1cc2cc(NC3COC3)ccc2[nH]1 76632965 573910216 /nfs/dbraw/zinc/91/02/16/573910216.db2.gz QAVYYIANUYPKCL-UHFFFAOYSA-N 0 0 188.230 1.979 10 0 ADAERN COc1cccc2c(=O)o[nH]c12 258453424 573910229 /nfs/dbraw/zinc/91/02/29/573910229.db2.gz GHVYBYVNJIWGGX-UHFFFAOYSA-N 0 0 165.148 1.130 10 0 ADAERN CC(=O)[C@@H](F)C[C@H]1CCCOC1 257896849 573910277 /nfs/dbraw/zinc/91/02/77/573910277.db2.gz OJEFLSAFLRCVMU-BDAKNGLRSA-N 0 0 174.215 1.730 10 0 ADAERN CCc1nccn1C[C@@H](C)C(=O)OC 41671727 573910285 /nfs/dbraw/zinc/91/02/85/573910285.db2.gz FFZRHNWWHAZAMZ-MRVPVSSYSA-N 0 0 196.250 1.255 10 0 ADAERN O[C@@H](CC(F)(F)F)[C@H]1CCOC1 84686826 573910287 /nfs/dbraw/zinc/91/02/87/573910287.db2.gz VVPXZTZSMPPPPF-WDSKDSINSA-N 0 0 184.157 1.336 10 0 ADAERN Oc1ccc2c(c1)NC[C@@H]1CCCN21 76634399 573910307 /nfs/dbraw/zinc/91/03/07/573910307.db2.gz QZYGXPGIIYTAAV-QMMMGPOBSA-N 0 0 190.246 1.787 10 0 ADAERN C[C@@H]1CNc2cccc(O)c2N(C)C1 259232583 573910332 /nfs/dbraw/zinc/91/03/32/573910332.db2.gz MPWOKXCIJYSEJG-MRVPVSSYSA-N 0 0 192.262 1.890 10 0 ADAERN CC(=O)c1noc([C@H]2CCCO2)n1 258179011 573910335 /nfs/dbraw/zinc/91/03/35/573910335.db2.gz XZGDAYHLNLPJKM-ZCFIWIBFSA-N 0 0 182.179 1.124 10 0 ADAERN CCCc1cnnc([C@@H](C)NC)n1 257896758 573910337 /nfs/dbraw/zinc/91/03/37/573910337.db2.gz OHIAPYMOQKNDTD-SSDOTTSWSA-N 0 0 180.255 1.105 10 0 ADAERN C[C@H]1C[C@@]1(CO)C1CCC1 259000037 573910351 /nfs/dbraw/zinc/91/03/51/573910351.db2.gz MTFVIXSQJQAVKE-CBAPKCEASA-N 0 0 140.226 1.805 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CC[C@@H](C)C1 84725323 573910360 /nfs/dbraw/zinc/91/03/60/573910360.db2.gz DQAAZYYKIHZOGX-CBVZUMJXSA-N 0 0 183.251 1.359 10 0 ADAERN CCc1nc(C=O)oc1CC 258521174 573910365 /nfs/dbraw/zinc/91/03/65/573910365.db2.gz MGYQKCFFWOMFPN-UHFFFAOYSA-N 0 0 153.181 1.612 10 0 ADAERN C/C(=C/CC1(C)OCCO1)CO 215499956 573910379 /nfs/dbraw/zinc/91/03/79/573910379.db2.gz SMEAQCSJECOMQV-BAQGIRSFSA-N 0 0 172.224 1.078 10 0 ADAERN CC[C@H](CO)c1nc(C)cc(C)n1 258999860 573910381 /nfs/dbraw/zinc/91/03/81/573910381.db2.gz DAZVBKJQSYJZOK-SECBINFHSA-N 0 0 180.251 1.579 10 0 ADAERN CC[C@H](C[NH2+]C1CCC1)C(=O)[O-] 258179095 573910404 /nfs/dbraw/zinc/91/04/04/573910404.db2.gz OKAFBXAUSNIKSK-SSDOTTSWSA-N 0 0 171.240 1.239 10 0 ADAERN O=S1(=O)C(Cl)=CN=C1C1CC1 258521078 573910420 /nfs/dbraw/zinc/91/04/20/573910420.db2.gz LPIGABHDLVPAOK-UHFFFAOYSA-N 0 0 191.639 1.261 10 0 ADAERN Cc1cnccc1C1=NC(=O)CN1C 235793164 573910438 /nfs/dbraw/zinc/91/04/38/573910438.db2.gz DRALTDYJJNIFOH-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN OC[C@]1(Cc2nccs2)CCOC1 87398512 573910459 /nfs/dbraw/zinc/91/04/59/573910459.db2.gz XDFARTYSIIJIDO-SECBINFHSA-N 0 0 199.275 1.085 10 0 ADAERN CC(=O)[C@@]1(C)C=CCCC1=O 238182466 573910469 /nfs/dbraw/zinc/91/04/69/573910469.db2.gz GDUMYBGKKPPEKT-SECBINFHSA-N 0 0 152.193 1.501 10 0 ADAERN COC(=O)/C=C\c1ccc(O)cc1C 215500397 573910475 /nfs/dbraw/zinc/91/04/75/573910475.db2.gz JTWBYPDPPJPVCN-XQRVVYSFSA-N 0 0 192.214 1.887 10 0 ADAERN CCOc1cc(C(C)=O)ccn1 87400552 573910478 /nfs/dbraw/zinc/91/04/78/573910478.db2.gz RJSORIZLJRDNJK-UHFFFAOYSA-N 0 0 165.192 1.683 10 0 ADAERN CC[C@H]1CC(=O)N(C(C)(C)C)N1 258521066 573910480 /nfs/dbraw/zinc/91/04/80/573910480.db2.gz MGGCMZOURLIVOK-ZETCQYMHSA-N 0 0 170.256 1.300 10 0 ADAERN O=C1c2ccccc2N[C@H]2OCC[C@H]12 76633352 573910481 /nfs/dbraw/zinc/91/04/81/573910481.db2.gz VRQZNGDIROTSFL-KCJUWKMLSA-N 0 0 189.214 1.657 10 0 ADAERN Cc1cnccc1-c1cn[nH]c(=O)c1 235792115 573910488 /nfs/dbraw/zinc/91/04/88/573910488.db2.gz NSQSTLDCEUDFHP-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN C[C@H]1COC[C@]1(O)CC(C)(C)C 642823494 573910489 /nfs/dbraw/zinc/91/04/89/573910489.db2.gz VDSISLDYVJHZKE-WCBMZHEXSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])c1cccs1 41672133 573910493 /nfs/dbraw/zinc/91/04/93/573910493.db2.gz ZOGBWHBNFJYJFY-MRVPVSSYSA-N 0 0 199.275 1.872 10 0 ADAERN CC(C)[C@@H]1C(=O)O[C@@H](C)[C@@H]1C 238183986 573910494 /nfs/dbraw/zinc/91/04/94/573910494.db2.gz DELFVBYXDUJTTH-FXQIFTODSA-N 0 0 156.225 1.840 10 0 ADAERN C[C@H]1CNc2cccc(O)c2N(C)C1 259232588 573910504 /nfs/dbraw/zinc/91/05/04/573910504.db2.gz MPWOKXCIJYSEJG-QMMMGPOBSA-N 0 0 192.262 1.890 10 0 ADAERN CCC(=O)[C@@H](C)CCCO 80810996 573910508 /nfs/dbraw/zinc/91/05/08/573910508.db2.gz SAVCDSSVZCAMGH-ZETCQYMHSA-N 0 0 144.214 1.374 10 0 ADAERN CC(C)n1cc(C=O)c2cncnc21 238182874 573910537 /nfs/dbraw/zinc/91/05/37/573910537.db2.gz XFKHAGUHBKWWQB-UHFFFAOYSA-N 0 0 189.218 1.825 10 0 ADAERN CC(C)[C@@H](C)COC(N)=O 84730514 573910543 /nfs/dbraw/zinc/91/05/43/573910543.db2.gz SGGABIGYBNIADX-LURJTMIESA-N 0 0 145.202 1.374 10 0 ADAERN COc1ccc([C@@H](C)O)c(O)c1OC 258179255 573910544 /nfs/dbraw/zinc/91/05/44/573910544.db2.gz WNDVFRAGJFNDAX-ZCFIWIBFSA-N 0 0 198.218 1.463 10 0 ADAERN CC(C)=CC[C@@H](CO)[C@@H](C)O 80775982 573910550 /nfs/dbraw/zinc/91/05/50/573910550.db2.gz FVDOZPZAGYXWRS-BDAKNGLRSA-N 0 0 158.241 1.332 10 0 ADAERN C[C@@H]1CC[C@H](CC(=O)[O-])[N@H+](C)CC1 76630573 573910561 /nfs/dbraw/zinc/91/05/61/573910561.db2.gz XUHVTTSSUQRKIC-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1nnc(Cn2cccc2)o1 84728307 573910579 /nfs/dbraw/zinc/91/05/79/573910579.db2.gz WXLVLQWONAUDTA-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN CC/C(=C\[C@H]1CCCOC1)[N+](=O)[O-] 84718506 573910585 /nfs/dbraw/zinc/91/05/85/573910585.db2.gz BUXMDVUMVQAXPU-GTUWVTDSSA-N 0 0 185.223 1.984 10 0 ADAERN CN(c1cccnc1)c1nnns1 259232452 573910600 /nfs/dbraw/zinc/91/06/00/573910600.db2.gz YAURYKKKQOXJDO-UHFFFAOYSA-N 0 0 193.235 1.096 10 0 ADAERN Cc1nc(C[C@@H](C)CO)sc1C 87398459 573910616 /nfs/dbraw/zinc/91/06/16/573910616.db2.gz RPAIBUMCIVKMSU-ZCFIWIBFSA-N 0 0 185.292 1.931 10 0 ADAERN COCc1cc(Br)n[nH]1 257896990 573910618 /nfs/dbraw/zinc/91/06/18/573910618.db2.gz YDMGLQJCTVJCIP-UHFFFAOYSA-N 0 0 191.028 1.319 10 0 ADAERN CC(C)[C@@H]1C(=O)CCC(=O)[C@@H]1C 238183527 573910621 /nfs/dbraw/zinc/91/06/21/573910621.db2.gz ATJPSLOFBWPJPB-XVKPBYJWSA-N 0 0 168.236 1.827 10 0 ADAERN C[C@H](O)c1ccnc(N2CCCC2)c1 87414357 573910622 /nfs/dbraw/zinc/91/06/22/573910622.db2.gz IODXDNWFUXVTAH-VIFPVBQESA-N 0 0 192.262 1.735 10 0 ADAERN O=C1COCc2nc3cc[nH]cc-3c21 76632852 573910635 /nfs/dbraw/zinc/91/06/35/573910635.db2.gz GRWXJWYDIVJJBM-UHFFFAOYSA-N 0 0 188.186 1.276 10 0 ADAERN CCOC[C@H](NN)[C@@H]1CC[C@H](C)C1 253005232 573910759 /nfs/dbraw/zinc/91/07/59/573910759.db2.gz MHSWPSITRIBTCD-AEJSXWLSSA-N 0 0 186.299 1.291 10 0 ADAERN CC(=O)O[C@@H]1CCC(=O)C1(C)C 238183397 573910760 /nfs/dbraw/zinc/91/07/60/573910760.db2.gz QHVDMQBKDYEKJA-MRVPVSSYSA-N 0 0 170.208 1.307 10 0 ADAERN CC1(C)CC(=O)[C@@H](O)C1(C)C 238182469 573911527 /nfs/dbraw/zinc/91/15/27/573911527.db2.gz RDEXNMKMBXGDMN-SSDOTTSWSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@H](O)c1ccnc(-n2ccnc2)c1 87414577 573910776 /nfs/dbraw/zinc/91/07/76/573910776.db2.gz HJAPYZZSHCYLGJ-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN C/C=C/C=C/N 80725661 573910787 /nfs/dbraw/zinc/91/07/87/573910787.db2.gz FJNLGRCWQZQBSR-MQQKCMAXSA-N 0 0 83.134 1.035 10 0 ADAERN CC(C)(C)n1ncc(Cl)c1N 87418683 573910794 /nfs/dbraw/zinc/91/07/94/573910794.db2.gz IKJJEYYHVGAPFG-UHFFFAOYSA-N 0 0 173.647 1.874 10 0 ADAERN COC(C)(C)c1ncc(CO)s1 642822673 573910798 /nfs/dbraw/zinc/91/07/98/573910798.db2.gz BODLMGNLNHFODW-UHFFFAOYSA-N 0 0 186.256 1.194 10 0 ADAERN Cn1nccc1-c1ccc(C=O)n1C 76633456 573910813 /nfs/dbraw/zinc/91/08/13/573910813.db2.gz QPGNREJDCYSUEU-UHFFFAOYSA-N 0 0 189.218 1.238 10 0 ADAERN CCC[C@H](O)[C@@H]1CCOC1 84686820 573910824 /nfs/dbraw/zinc/91/08/24/573910824.db2.gz MWAXQKFSRYNRDF-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN O[C@H]1CC[C@H](OCCC(F)(F)F)C1 131700217 573910859 /nfs/dbraw/zinc/91/08/59/573910859.db2.gz JPSCDZMVLPILPQ-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN CCC[C@@H](O)[C@@H]1CCOC1 84686822 573910863 /nfs/dbraw/zinc/91/08/63/573910863.db2.gz MWAXQKFSRYNRDF-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN O=C1c2ccccc2N[C@H]2OCC[C@@H]12 76633350 573911530 /nfs/dbraw/zinc/91/15/30/573911530.db2.gz VRQZNGDIROTSFL-KWQFWETISA-N 0 0 189.214 1.657 10 0 ADAERN O=Cc1ccc([C@@]2(O)CCOC2)cc1 257896185 573910873 /nfs/dbraw/zinc/91/08/73/573910873.db2.gz YAQAFZWJWACPTR-LLVKDONJSA-N 0 0 192.214 1.107 10 0 ADAERN Fc1cccc(NC2COC2)c1 84696658 573910877 /nfs/dbraw/zinc/91/08/77/573910877.db2.gz BICOISURSVOEAN-UHFFFAOYSA-N 0 0 167.183 1.636 10 0 ADAERN CC(C)OC(=O)NC1CC1 80822144 573910884 /nfs/dbraw/zinc/91/08/84/573910884.db2.gz NAOYBKMZUCATMV-UHFFFAOYSA-N 0 0 143.186 1.283 10 0 ADAERN COC(=O)C(C)(C)C(=O)C1CCCC1 127555721 573910891 /nfs/dbraw/zinc/91/08/91/573910891.db2.gz YBJTUKMCINKBBD-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN CCC[C@@H](O)[C@H](C)OCC 80742646 573910897 /nfs/dbraw/zinc/91/08/97/573910897.db2.gz NNMPOXCPCIBEJC-JGVFFNPUSA-N 0 0 146.230 1.572 10 0 ADAERN CC(=O)[C@H]1CC=NN(C(C)C)C1 238182559 573910910 /nfs/dbraw/zinc/91/09/10/573910910.db2.gz CIIKTORZFMEBEZ-VIFPVBQESA-N 0 0 168.240 1.292 10 0 ADAERN C[C@H](O)c1ccnc(N(C)C)c1 87414397 573910911 /nfs/dbraw/zinc/91/09/11/573910911.db2.gz DGPVNIGSOGMZDW-ZETCQYMHSA-N 0 0 166.224 1.201 10 0 ADAERN OC[C@@]1(Cc2nccs2)CCOC1 87398511 573910925 /nfs/dbraw/zinc/91/09/25/573910925.db2.gz XDFARTYSIIJIDO-VIFPVBQESA-N 0 0 199.275 1.085 10 0 ADAERN CC(=O)O[C@@H]1CC(C)(C)C=C(C)[C@@H]1O 238182985 573910927 /nfs/dbraw/zinc/91/09/27/573910927.db2.gz LVHRAJTXHOSEFL-ZJUUUORDSA-N 0 0 198.262 1.655 10 0 ADAERN CCO[C@H](C)c1nc(C)cc(=O)[nH]1 80742338 573910945 /nfs/dbraw/zinc/91/09/45/573910945.db2.gz TYOSEONVRJNSDA-SSDOTTSWSA-N 0 0 182.223 1.176 10 0 ADAERN CC[NH+]1CC(C(F)(F)CC(=O)[O-])C1 257897108 573910947 /nfs/dbraw/zinc/91/09/47/573910947.db2.gz YFAGRNISEJFLQI-UHFFFAOYSA-N 0 0 193.193 1.048 10 0 ADAERN Cc1ccc(C[C@H](O)C(C)(C)O)cc1 235793984 573910958 /nfs/dbraw/zinc/91/09/58/573910958.db2.gz OARHMFIBXXAODN-NSHDSACASA-N 0 0 194.274 1.669 10 0 ADAERN COCCc1nc2cc(C)ccn2n1 257896462 573910965 /nfs/dbraw/zinc/91/09/65/573910965.db2.gz FHJLVQDGAPKRIE-UHFFFAOYSA-N 0 0 191.234 1.227 10 0 ADAERN CC(C)CCCOC[C@H](C)O 44473742 573910966 /nfs/dbraw/zinc/91/09/66/573910966.db2.gz BVNHUHDKTDZSBA-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN Cc1cccc([C@H]2CCNO2)c1 258454898 573911029 /nfs/dbraw/zinc/91/10/29/573911029.db2.gz GJKOTMMZLJXDTK-SNVBAGLBSA-N 0 0 163.220 1.961 10 0 ADAERN COCN(C)CCc1ccccc1 259231988 573911035 /nfs/dbraw/zinc/91/10/35/573911035.db2.gz YLVQVKTXUOUKJE-UHFFFAOYSA-N 0 0 179.263 1.765 10 0 ADAERN CC(C)[C@@H]1C(=O)NC(=O)[C@@H]1C(C)C 238183280 573911050 /nfs/dbraw/zinc/91/10/50/573911050.db2.gz RONXIJICSUHTJR-OCAPTIKFSA-N 0 0 183.251 1.187 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@H]1C 84725301 573911055 /nfs/dbraw/zinc/91/10/55/573911055.db2.gz BGHQRKUUMDJGPV-BNICOGTQSA-N 0 0 183.251 1.502 10 0 ADAERN ONCC[C@H]1CCCCS1 258521099 573911064 /nfs/dbraw/zinc/91/10/64/573911064.db2.gz MGLLMGLGODFHRU-SSDOTTSWSA-N 0 0 161.270 1.641 10 0 ADAERN CC(C)OC(=O)c1ccc(N)o1 238183777 573911069 /nfs/dbraw/zinc/91/10/69/573911069.db2.gz CHPCRBWWYPRDHD-UHFFFAOYSA-N 0 0 169.180 1.427 10 0 ADAERN CCC[C@H](O)[C@@H](C)OCC 80742641 573911078 /nfs/dbraw/zinc/91/10/78/573911078.db2.gz NNMPOXCPCIBEJC-SFYZADRCSA-N 0 0 146.230 1.572 10 0 ADAERN CC[C@@H](C)[N@H+](C)C(C)(C)C(=O)[O-] 41854371 573911087 /nfs/dbraw/zinc/91/10/87/573911087.db2.gz YCYXKEMINUKZLG-SSDOTTSWSA-N 0 0 173.256 1.580 10 0 ADAERN C[C@@H](O)[C@H]1Cc2cc(F)ccc2N1C 258179830 573911105 /nfs/dbraw/zinc/91/11/05/573911105.db2.gz SOVFYBGBDLNIAW-RDDDGLTNSA-N 0 0 195.237 1.567 10 0 ADAERN OCC[C@H](F)c1ccc(O)cc1 258521141 573911118 /nfs/dbraw/zinc/91/11/18/573911118.db2.gz MGSVTQDPFYARQA-VIFPVBQESA-N 0 0 170.183 1.785 10 0 ADAERN CCOc1ccc(NCCOC)cn1 87399537 573911142 /nfs/dbraw/zinc/91/11/42/573911142.db2.gz QGBZZMNCEKACJM-UHFFFAOYSA-N 0 0 196.250 1.539 10 0 ADAERN CCC[N@H+](CC1CC1)[C@@H](C)C(=O)[O-] 44384055 573911157 /nfs/dbraw/zinc/91/11/57/573911157.db2.gz GLSOVZUQTFHBKP-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN O=Cc1ccc([C@]2(O)CCOC2)cc1 257896187 573911166 /nfs/dbraw/zinc/91/11/66/573911166.db2.gz YAQAFZWJWACPTR-NSHDSACASA-N 0 0 192.214 1.107 10 0 ADAERN CC(C)[C@@H](C)[N@H+](C)C(C)(C)C(=O)[O-] 41877750 573911196 /nfs/dbraw/zinc/91/11/96/573911196.db2.gz ZIGOOJUYIVPTPK-MRVPVSSYSA-N 0 0 187.283 1.826 10 0 ADAERN CC(C)c1ncc(CO)c(C=O)c1O 238183801 573911198 /nfs/dbraw/zinc/91/11/98/573911198.db2.gz GQWOLXDEYMJZIB-UHFFFAOYSA-N 0 0 195.218 1.215 10 0 ADAERN O[C@H](COCCC(F)(F)F)C1CC1 131694084 573911199 /nfs/dbraw/zinc/91/11/99/573911199.db2.gz LJKJMWWPTQCDDV-SSDOTTSWSA-N 0 0 198.184 1.726 10 0 ADAERN C=CC1=CC[C@H](O)CC1 80772276 573911208 /nfs/dbraw/zinc/91/12/08/573911208.db2.gz WHHGRUKEWATTMY-QMMMGPOBSA-N 0 0 124.183 1.644 10 0 ADAERN CC(C)n1cc(Cl)nn1 238183212 573911225 /nfs/dbraw/zinc/91/12/25/573911225.db2.gz QTWWZLTVXPXEAK-UHFFFAOYSA-N 0 0 145.593 1.512 10 0 ADAERN O=Cc1nc(C2CCCC2)no1 84718612 573911242 /nfs/dbraw/zinc/91/12/42/573911242.db2.gz BBDQFIIOXVMSLG-UHFFFAOYSA-N 0 0 166.180 1.540 10 0 ADAERN CC1(C)CC[C@H](CCCC(=O)[O-])[NH2+]1 76630666 573911253 /nfs/dbraw/zinc/91/12/53/573911253.db2.gz BAOXBLLDHSTKLJ-QMMMGPOBSA-N 0 0 185.267 1.772 10 0 ADAERN Cc1ccc([C@H]2CCON2)cc1 258451599 573911264 /nfs/dbraw/zinc/91/12/64/573911264.db2.gz FYXXPFUAWLJILO-SNVBAGLBSA-N 0 0 163.220 1.961 10 0 ADAERN Cc1nn(C2CC2)c(C)c1CCCO 257897057 573911265 /nfs/dbraw/zinc/91/12/65/573911265.db2.gz YEKSUBDQBLKIOS-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN COc1ncccc1Cn1cccn1 87415449 573911276 /nfs/dbraw/zinc/91/12/76/573911276.db2.gz SBVCCNOJEYNABJ-UHFFFAOYSA-N 0 0 189.218 1.335 10 0 ADAERN COCCCc1noc(C(C)C)n1 308462510 573911281 /nfs/dbraw/zinc/91/12/81/573911281.db2.gz HYOHVOYQJYGKSL-UHFFFAOYSA-N 0 0 184.239 1.772 10 0 ADAERN O=Cc1nc(-c2ccccc2O)co1 257897070 573911289 /nfs/dbraw/zinc/91/12/89/573911289.db2.gz YERDWZKWUUVICK-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CC[C@@H](CO)Cc1nccs1 87398500 573911292 /nfs/dbraw/zinc/91/12/92/573911292.db2.gz FHMPUAFRFDESQM-SSDOTTSWSA-N 0 0 171.265 1.704 10 0 ADAERN Cc1cc(N=O)c(O)cc1O 80823255 573911299 /nfs/dbraw/zinc/91/12/99/573911299.db2.gz VFQHNALIEJEQMY-UHFFFAOYSA-N 0 0 153.137 1.804 10 0 ADAERN CC(=O)[C@@H]1CC=NN(C(C)C)C1 238183773 573911305 /nfs/dbraw/zinc/91/13/05/573911305.db2.gz CIIKTORZFMEBEZ-SECBINFHSA-N 0 0 168.240 1.292 10 0 ADAERN Cn1cc(N)c2c3c(ccc21)OCC3 76632996 573911322 /nfs/dbraw/zinc/91/13/22/573911322.db2.gz PKKONDZYFGMJEJ-UHFFFAOYSA-N 0 0 188.230 1.695 10 0 ADAERN CC1CCC(O)([C@H]2CCOC2)CC1 84686655 573911329 /nfs/dbraw/zinc/91/13/29/573911329.db2.gz JQRSXPAAKQBXHB-YVNMAJEFSA-N 0 0 184.279 1.964 10 0 ADAERN OCC[C@@H](F)c1ccc(O)cc1 258521135 573911332 /nfs/dbraw/zinc/91/13/32/573911332.db2.gz MGSVTQDPFYARQA-SECBINFHSA-N 0 0 170.183 1.785 10 0 ADAERN CC(C)[C@@H]1CC[C@H]2O[C@@H]2C(=O)C1 238183318 573911334 /nfs/dbraw/zinc/91/13/34/573911334.db2.gz AZHOYBCMDQBGBT-SZEHBUNVSA-N 0 0 168.236 1.779 10 0 ADAERN C[NH2+]Cc1cc(C(=O)[O-])cs1 87414702 573911341 /nfs/dbraw/zinc/91/13/41/573911341.db2.gz PSAFXGQLHILWDR-UHFFFAOYSA-N 0 0 171.221 1.166 10 0 ADAERN CC[NH2+][C@H]1CCCC[C@@H]1C(=O)[O-] 80741893 573911350 /nfs/dbraw/zinc/91/13/50/573911350.db2.gz YLFODCOFBWELKE-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN Cc1cccc(C[C@@H](O)C(C)(C)O)c1 235785346 573911386 /nfs/dbraw/zinc/91/13/86/573911386.db2.gz VDKIVBDXVUWTMG-LLVKDONJSA-N 0 0 194.274 1.669 10 0 ADAERN CC(C)c1coc(C2(N)CC2)n1 258521291 573911396 /nfs/dbraw/zinc/91/13/96/573911396.db2.gz MIHVZABYXKKEAW-UHFFFAOYSA-N 0 0 166.224 1.746 10 0 ADAERN Cc1cccnc1C(=O)[C@H]1CCOC1 84686788 573911398 /nfs/dbraw/zinc/91/13/98/573911398.db2.gz ZTSUQRFLCMJFGL-VIFPVBQESA-N 0 0 191.230 1.609 10 0 ADAERN Cn1cc(N)cc1Cc1cccnc1 76632490 573911404 /nfs/dbraw/zinc/91/14/04/573911404.db2.gz SMDYTPFMLFNFKY-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN CC1(C)CC(=O)[C@@H](O)[C@@](C)(Cl)C1 238182564 573911417 /nfs/dbraw/zinc/91/14/17/573911417.db2.gz FGVUKQHTFQJELL-APPZFPTMSA-N 0 0 190.670 1.734 10 0 ADAERN C[C@H](CO)c1ccc2nccnc2c1 258179032 573911423 /nfs/dbraw/zinc/91/14/23/573911423.db2.gz WKKDAKUWDPAFMQ-MRVPVSSYSA-N 0 0 188.230 1.726 10 0 ADAERN Cc1nc(C(F)F)ncc1N 258521204 573911425 /nfs/dbraw/zinc/91/14/25/573911425.db2.gz MHGMYVMOVNEBJR-UHFFFAOYSA-N 0 0 159.139 1.305 10 0 ADAERN C[C@H](O)c1ccnc(-n2cccn2)c1 87414574 573911430 /nfs/dbraw/zinc/91/14/30/573911430.db2.gz LNVPJGOIPRUJIQ-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN ONCC[C@@H]1CCCCS1 258521104 573911434 /nfs/dbraw/zinc/91/14/34/573911434.db2.gz MGLLMGLGODFHRU-ZETCQYMHSA-N 0 0 161.270 1.641 10 0 ADAERN CC[C@H](OC)C(=O)Cc1ccco1 131703339 573911438 /nfs/dbraw/zinc/91/14/38/573911438.db2.gz LPQAAEHGRZATTL-JTQLQIEISA-N 0 0 182.219 1.816 10 0 ADAERN C[C@H](O)c1ncc2c(F)cccn12 257896771 573911444 /nfs/dbraw/zinc/91/14/44/573911444.db2.gz OHOMNGZNPJXFQV-LURJTMIESA-N 0 0 180.182 1.527 10 0 ADAERN CC(C)OCC1CC(O)C1 258453454 573911455 /nfs/dbraw/zinc/91/14/55/573911455.db2.gz GIYZUKFPIVMHFZ-UHFFFAOYSA-N 0 0 144.214 1.182 10 0 ADAERN CCOC[C@H](NN)[C@H]1CC[C@H](C)C1 253005233 573911470 /nfs/dbraw/zinc/91/14/70/573911470.db2.gz MHSWPSITRIBTCD-GUBZILKMSA-N 0 0 186.299 1.291 10 0 ADAERN CCOC(=O)N[C@H]1CCC[C@H]1C 84673144 573911492 /nfs/dbraw/zinc/91/14/92/573911492.db2.gz BJEGMUYETGEXDB-SFYZADRCSA-N 0 0 171.240 1.921 10 0 ADAERN Cc1ccc(Cn2cccn2)o1 84728233 573911501 /nfs/dbraw/zinc/91/15/01/573911501.db2.gz XOKLXYJVPFHNMV-UHFFFAOYSA-N 0 0 162.192 1.833 10 0 ADAERN C[NH2+][C@H](C)c1coc(CC[NH+](C)C)n1 257896633 573911504 /nfs/dbraw/zinc/91/15/04/573911504.db2.gz BMXWLQPBIFSFBQ-MRVPVSSYSA-N 0 0 197.282 1.059 10 0 ADAERN CC1(C)O[C@@H]1C(=O)Nc1nccs1 238183595 573911508 /nfs/dbraw/zinc/91/15/08/573911508.db2.gz LSRREENMTNKGDD-RXMQYKEDSA-N 0 0 198.247 1.259 10 0 ADAERN Cn1cc(N)c(-c2ccccc2O)c1 258179524 573911514 /nfs/dbraw/zinc/91/15/14/573911514.db2.gz SICIVDFRUVRYHB-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN CC[C@@H](NC=O)C(C)C 80775416 573911520 /nfs/dbraw/zinc/91/15/20/573911520.db2.gz KVMIYBBJASJFKS-SSDOTTSWSA-N 0 0 129.203 1.167 10 0 ADAERN COCCc1ccc2c(c1)NCCO2 87439554 573913474 /nfs/dbraw/zinc/91/34/74/573913474.db2.gz QJGLBXSCTXIYSA-UHFFFAOYSA-N 0 0 193.246 1.680 10 0 ADAERN CC(C)[S@@](=O)CCCCCO 78709128 573913481 /nfs/dbraw/zinc/91/34/81/573913481.db2.gz BVEHJZKAGMDLBU-LLVKDONJSA-N 0 0 178.297 1.306 10 0 ADAERN Cc1oc(=O)[nH]c1C1CCC1 258454905 573913490 /nfs/dbraw/zinc/91/34/90/573913490.db2.gz GKCYKYFMRNTCKU-UHFFFAOYSA-N 0 0 153.181 1.956 10 0 ADAERN Cc1c(O)cnc2c(O)cccc12 257897983 573913501 /nfs/dbraw/zinc/91/35/01/573913501.db2.gz OJICNHYYYPAELS-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN O[C@H](c1cc[nH]c1)[C@@H]1CCOC1 84717844 573913506 /nfs/dbraw/zinc/91/35/06/573913506.db2.gz QWPHIPZIHLYCFN-RKDXNWHRSA-N 0 0 167.208 1.085 10 0 ADAERN C[C@@]1(c2ccco2)CC[C@H](C(=O)[O-])[NH2+]1 76636347 573913546 /nfs/dbraw/zinc/91/35/46/573913546.db2.gz RFVNOQUEFXGSDR-XCBNKYQSSA-N 0 0 195.218 1.331 10 0 ADAERN CC1(C)OC[C@@]2(CCCC2=O)O1 238182980 573913554 /nfs/dbraw/zinc/91/35/54/573913554.db2.gz XTIMNMYDVPPDOO-SECBINFHSA-N 0 0 170.208 1.261 10 0 ADAERN CC1=C[C@H]2CCC(=O)[C@@]12C 238183411 573913560 /nfs/dbraw/zinc/91/35/60/573913560.db2.gz QZZIJEJCMKBOEA-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN Cc1[nH]nc(NC(=O)CC2CC2)c1N 87419342 573912791 /nfs/dbraw/zinc/91/27/91/573912791.db2.gz NBCOHEOMPDCMLF-UHFFFAOYSA-N 0 0 194.238 1.039 10 0 ADAERN CONCc1cc(F)cc(OC)c1 258179275 573912806 /nfs/dbraw/zinc/91/28/06/573912806.db2.gz WNJRZZPQLQDUPB-UHFFFAOYSA-N 0 0 185.198 1.485 10 0 ADAERN CCCc1ccc(NCC(C)=O)nn1 259237573 573912821 /nfs/dbraw/zinc/91/28/21/573912821.db2.gz KOIYMSVQZNZFNL-UHFFFAOYSA-N 0 0 193.250 1.430 10 0 ADAERN CC(C)(C)CN1NCCCC1=O 258453426 573912822 /nfs/dbraw/zinc/91/28/22/573912822.db2.gz GHWUSHOOMCHQGA-UHFFFAOYSA-N 0 0 170.256 1.160 10 0 ADAERN CC1C[C@@H](O)C(C)(C)[C@H](O)C1 238183690 573912826 /nfs/dbraw/zinc/91/28/26/573912826.db2.gz KGCVFWBZERVYEH-HTQZYQBOSA-N 0 0 158.241 1.164 10 0 ADAERN CC(=O)[C@@]1(C)C[C@]1(C)C(C)=O 238183764 573912836 /nfs/dbraw/zinc/91/28/36/573912836.db2.gz ANPJJEMIHXBZOP-RKDXNWHRSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@]1(c2ccco2)CC[C@@H](C(=O)[O-])[NH2+]1 76636348 573912840 /nfs/dbraw/zinc/91/28/40/573912840.db2.gz RFVNOQUEFXGSDR-OIBJUYFYSA-N 0 0 195.218 1.331 10 0 ADAERN O[C@@H](c1ccc[nH]1)c1ccco1 84717798 573912864 /nfs/dbraw/zinc/91/28/64/573912864.db2.gz ILJQXMXZGDLRBP-VIFPVBQESA-N 0 0 163.176 1.689 10 0 ADAERN CC[NH2+][C@H]1CCCC[C@H]1C(=O)[O-] 80741900 573912868 /nfs/dbraw/zinc/91/28/68/573912868.db2.gz YLFODCOFBWELKE-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN Cc1cnccc1-c1cccc(=O)[nH]1 235791901 573912873 /nfs/dbraw/zinc/91/28/73/573912873.db2.gz PKUGVMVLNKVWLD-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN O[C@@H](C1CCCCC1)[C@H]1CCOC1 84686815 573912898 /nfs/dbraw/zinc/91/28/98/573912898.db2.gz YZXSLGZXFMNBDO-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN COc1ccc(O)cc1C[C@@H](C)O 258179230 573912910 /nfs/dbraw/zinc/91/29/10/573912910.db2.gz WMYKYHHYRDLTMP-SSDOTTSWSA-N 0 0 182.219 1.324 10 0 ADAERN CCSCc1cnsc1N 257897544 573912919 /nfs/dbraw/zinc/91/29/19/573912919.db2.gz JZXSWKULTVQHIY-UHFFFAOYSA-N 0 0 174.294 1.978 10 0 ADAERN COC[C@H]1CCC[C@@H]1CCO 258453399 573912927 /nfs/dbraw/zinc/91/29/27/573912927.db2.gz GHHQUPZTUHPUOP-RKDXNWHRSA-N 0 0 158.241 1.432 10 0 ADAERN COc1ccc([C@@H](O)N(C)C)cc1F 259581220 573912991 /nfs/dbraw/zinc/91/29/91/573912991.db2.gz PRDLOIRVDXGOMQ-SNVBAGLBSA-N 0 0 199.225 1.387 10 0 ADAERN CC(C)[C@@H](C)C(=O)Nc1n[nH]cc1N 87419087 573912993 /nfs/dbraw/zinc/91/29/93/573912993.db2.gz BFMFHWAJXWEYFI-ZCFIWIBFSA-N 0 0 196.254 1.223 10 0 ADAERN S=C1N=NC(C[C@H]2CCCCO2)N1 87419801 573913006 /nfs/dbraw/zinc/91/30/06/573913006.db2.gz FFZWQBJMCQAZOV-ZCFIWIBFSA-N 0 0 199.279 1.205 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CC[C@H](C)C1 84725328 573913010 /nfs/dbraw/zinc/91/30/10/573913010.db2.gz DQAAZYYKIHZOGX-MOIHINDBSA-N 0 0 183.251 1.359 10 0 ADAERN CC(C)[C@@H]1CC[C@H]2OC(=O)N[C@@H]2C1 238183296 573913030 /nfs/dbraw/zinc/91/30/30/573913030.db2.gz HFOQLQQAFSLSRS-IWSPIJDZSA-N 0 0 183.251 1.920 10 0 ADAERN CCOCCC[C@@H](O)C(F)(F)F 78709498 573913077 /nfs/dbraw/zinc/91/30/77/573913077.db2.gz AIXJZRJZOZKLOY-ZCFIWIBFSA-N 0 0 186.173 1.726 10 0 ADAERN Cc1nc2cc(NCO)ccc2o1 259002272 573913078 /nfs/dbraw/zinc/91/30/78/573913078.db2.gz ZDQSLQUDAWKOMN-UHFFFAOYSA-N 0 0 178.191 1.498 10 0 ADAERN CNOCCC[C@H]1CCCOC1 257897263 573913081 /nfs/dbraw/zinc/91/30/81/573913081.db2.gz HICVTKVRLJJIEU-SECBINFHSA-N 0 0 173.256 1.344 10 0 ADAERN CCC(CC)C(=O)Nc1n[nH]cc1N 87419127 573913086 /nfs/dbraw/zinc/91/30/86/573913086.db2.gz LWDNHXDQLAPWIE-UHFFFAOYSA-N 0 0 196.254 1.367 10 0 ADAERN Cc1cc(F)c(CCON)cc1C 258179071 573913087 /nfs/dbraw/zinc/91/30/87/573913087.db2.gz WLFANGKUALUHGV-UHFFFAOYSA-N 0 0 183.226 1.875 10 0 ADAERN CN(O)C[C@@H]1CCCCS1 258453392 573913097 /nfs/dbraw/zinc/91/30/97/573913097.db2.gz GHHPUHNPIRSRRA-ZETCQYMHSA-N 0 0 161.270 1.593 10 0 ADAERN CC1=C[C@H](c2ccccc2)C(=O)N1 238182667 573913103 /nfs/dbraw/zinc/91/31/03/573913103.db2.gz PXFAPCUKBMIRFA-SNVBAGLBSA-N 0 0 173.215 1.804 10 0 ADAERN [NH3+][C@H](C1CCCCC1)[C@H]1C[C@H]1C(=O)[O-] 259235994 573913107 /nfs/dbraw/zinc/91/31/07/573913107.db2.gz HLIQPZXCYPOYJC-IVZWLZJFSA-N 0 0 197.278 1.615 10 0 ADAERN CC(C)=CC[C@@H](CO)[C@H](C)O 80775981 573913109 /nfs/dbraw/zinc/91/31/09/573913109.db2.gz FVDOZPZAGYXWRS-IUCAKERBSA-N 0 0 158.241 1.332 10 0 ADAERN Cn1cc(C=O)cc1CC(F)(F)F 76634831 573913121 /nfs/dbraw/zinc/91/31/21/573913121.db2.gz VIZAZOSNHJJMCA-UHFFFAOYSA-N 0 0 191.152 1.942 10 0 ADAERN Cc1ccoc1C1=NC(C)(C)C(=O)N1 235798994 573913131 /nfs/dbraw/zinc/91/31/31/573913131.db2.gz HXGNPJSXPYPQMM-UHFFFAOYSA-N 0 0 192.218 1.243 10 0 ADAERN O[C@H](C1CCCCC1)[C@@H]1CCOC1 84686813 573913137 /nfs/dbraw/zinc/91/31/37/573913137.db2.gz YZXSLGZXFMNBDO-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)[C@@H]1Nc2cccnc2NC1=O 76635023 573913143 /nfs/dbraw/zinc/91/31/43/573913143.db2.gz CRJGHCUNYDVWOM-QMMMGPOBSA-N 0 0 191.234 1.470 10 0 ADAERN C[C@@](F)(C[C@H]1CCC[NH2+]C1)C(=O)[O-] 257898177 573913155 /nfs/dbraw/zinc/91/31/55/573913155.db2.gz YHMCZZAOZNEARG-VXNVDRBHSA-N 0 0 189.230 1.189 10 0 ADAERN CC(=O)[C@@]1(C)CC(C)(C)N=N1 238182566 573913158 /nfs/dbraw/zinc/91/31/58/573913158.db2.gz RHJYUBOHISOPEX-MRVPVSSYSA-N 0 0 154.213 1.969 10 0 ADAERN C/C=C\Cn1cnc(C)cc1=O 388456730 573913168 /nfs/dbraw/zinc/91/31/68/573913168.db2.gz CBVZRGCTRSTVOM-ARJAWSKDSA-N 0 0 164.208 1.128 10 0 ADAERN C[C@H]1COc2ccc(O)cc2NC1=O 259238424 573913173 /nfs/dbraw/zinc/91/31/73/573913173.db2.gz MYDOVXSROBDNAU-LURJTMIESA-N 0 0 193.202 1.359 10 0 ADAERN COc1ccc(O)cc1C[C@H](C)O 258179235 573913174 /nfs/dbraw/zinc/91/31/74/573913174.db2.gz WMYKYHHYRDLTMP-ZETCQYMHSA-N 0 0 182.219 1.324 10 0 ADAERN COc1ccc([C@H](O)N(C)C)cc1F 259581216 573913189 /nfs/dbraw/zinc/91/31/89/573913189.db2.gz PRDLOIRVDXGOMQ-JTQLQIEISA-N 0 0 199.225 1.387 10 0 ADAERN CCC[C@@H](O)[C@@H](C)OCC 80742643 573913214 /nfs/dbraw/zinc/91/32/14/573913214.db2.gz NNMPOXCPCIBEJC-HTQZYQBOSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H](O)c1nc(C2CCCC2)no1 84672607 573913217 /nfs/dbraw/zinc/91/32/17/573913217.db2.gz RAFWZDBWTICCDP-LURJTMIESA-N 0 0 182.223 1.781 10 0 ADAERN OCCC(F)(F)c1cccc(O)c1 257897130 573913218 /nfs/dbraw/zinc/91/32/18/573913218.db2.gz YFDWGRFAMVLELL-UHFFFAOYSA-N 0 0 188.173 1.866 10 0 ADAERN CC(=O)Cc1nc(C(C)(C)C)c[nH]1 259004016 573913233 /nfs/dbraw/zinc/91/32/33/573913233.db2.gz CIZSJYNBJRXWFY-UHFFFAOYSA-N 0 0 180.251 1.839 10 0 ADAERN COc1cnn(C)c1C(=O)C(C)(C)C 123060477 573913242 /nfs/dbraw/zinc/91/32/42/573913242.db2.gz QKKJXQZIQLDDFI-UHFFFAOYSA-N 0 0 196.250 1.658 10 0 ADAERN C[C@@](O)(CO)CCc1cccc(F)c1 257897333 573913257 /nfs/dbraw/zinc/91/32/57/573913257.db2.gz VJRZDMAOUBMGKR-NSHDSACASA-N 0 0 198.237 1.502 10 0 ADAERN COC(=O)[C@H](F)C[C@H]1CCCCO1 257898197 573913258 /nfs/dbraw/zinc/91/32/58/573913258.db2.gz YIKHBWLONVVIEU-HTQZYQBOSA-N 0 0 190.214 1.457 10 0 ADAERN CCOC(=O)N[C@@H]1CCC[C@@H]1C 84673140 573913260 /nfs/dbraw/zinc/91/32/60/573913260.db2.gz BJEGMUYETGEXDB-JGVFFNPUSA-N 0 0 171.240 1.921 10 0 ADAERN COC[C@H](C)C[C@]1(O)C[C@@H]1C 87438562 573913262 /nfs/dbraw/zinc/91/32/62/573913262.db2.gz GDUIWWDGKFIVLV-VGMNWLOBSA-N 0 0 158.241 1.430 10 0 ADAERN c1cc2c(cc1NC1COC1)CCO2 76634984 573913271 /nfs/dbraw/zinc/91/32/71/573913271.db2.gz NXKDFCJWCLEUQA-UHFFFAOYSA-N 0 0 191.230 1.432 10 0 ADAERN CC12NCCCC1CCC[NH2+]2 238182619 573913272 /nfs/dbraw/zinc/91/32/72/573913272.db2.gz BQOUNSCJTHVEIA-UHFFFAOYSA-N 0 0 154.257 1.086 10 0 ADAERN OCc1cc(Cc2ccccc2)n[nH]1 259238412 573913277 /nfs/dbraw/zinc/91/32/77/573913277.db2.gz MYCZTCRCCJGZBT-UHFFFAOYSA-N 0 0 188.230 1.493 10 0 ADAERN CN(O)C[C@H]1CCCCS1 258453390 573913278 /nfs/dbraw/zinc/91/32/78/573913278.db2.gz GHHPUHNPIRSRRA-SSDOTTSWSA-N 0 0 161.270 1.593 10 0 ADAERN CC(C)(C[C@@H]([NH3+])c1cc[nH]c1)C(=O)[O-] 259236077 573913296 /nfs/dbraw/zinc/91/32/96/573913296.db2.gz HMDBZZMRZCPCAT-MRVPVSSYSA-N 0 0 196.250 1.515 10 0 ADAERN Cc1ccccc1CC(=O)C(C)(C)O 235795972 573913301 /nfs/dbraw/zinc/91/33/01/573913301.db2.gz JCTLLPCCGAXBHT-UHFFFAOYSA-N 0 0 192.258 1.878 10 0 ADAERN CC1(C)CC(=O)[C@@]2(C)C=CO[C@H]12 238183159 573913306 /nfs/dbraw/zinc/91/33/06/573913306.db2.gz OICHTAYPIQXROV-PSASIEDQSA-N 0 0 166.220 1.904 10 0 ADAERN COCCC[C@@]1(O)C[C@@H]1C 87438565 573913342 /nfs/dbraw/zinc/91/33/42/573913342.db2.gz AKMYIIRNSQVONB-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1n[nH]c(C[C@@H]2CCCCO2)n1 87419790 573913344 /nfs/dbraw/zinc/91/33/44/573913344.db2.gz GVGBHHMROUFUFC-QMMMGPOBSA-N 0 0 181.239 1.225 10 0 ADAERN O=C1N[C@H](Cc2cccs2)CO1 258454773 573913351 /nfs/dbraw/zinc/91/33/51/573913351.db2.gz PPZVOOLRTSMCDL-ZCFIWIBFSA-N 0 0 183.232 1.399 10 0 ADAERN CC(C)CCC(=O)[C@@H](C)O 80727520 573913378 /nfs/dbraw/zinc/91/33/78/573913378.db2.gz RRFIDLDBZJMLAN-SSDOTTSWSA-N 0 0 144.214 1.373 10 0 ADAERN COc1ccc([C@H](C)O)c(O)c1OC 258179251 573913407 /nfs/dbraw/zinc/91/34/07/573913407.db2.gz WNDVFRAGJFNDAX-LURJTMIESA-N 0 0 198.218 1.463 10 0 ADAERN O[C@@H](c1cc[nH]c1)[C@@H]1CCOC1 84717842 573913409 /nfs/dbraw/zinc/91/34/09/573913409.db2.gz QWPHIPZIHLYCFN-BDAKNGLRSA-N 0 0 167.208 1.085 10 0 ADAERN CC(=O)[C@@]1(C)CC12CC2 238182607 573913412 /nfs/dbraw/zinc/91/34/12/573913412.db2.gz JRXFEHRNOIGCMF-SSDOTTSWSA-N 0 0 124.183 1.766 10 0 ADAERN CSC[C@H](C)[NH2+]CCCC(=O)[O-] 127556763 573913415 /nfs/dbraw/zinc/91/34/15/573913415.db2.gz PPWMWWOXOSQFFY-ZETCQYMHSA-N 0 0 191.296 1.192 10 0 ADAERN Nc1cnc(N2CCCCCC2)o1 257897412 573913427 /nfs/dbraw/zinc/91/34/27/573913427.db2.gz NNJKTRPFXOISAM-UHFFFAOYSA-N 0 0 181.239 1.637 10 0 ADAERN CC/C(=C\[C@@H]1CCCOC1)[N+](=O)[O-] 84718505 573913434 /nfs/dbraw/zinc/91/34/34/573913434.db2.gz BUXMDVUMVQAXPU-CYXIBPNKSA-N 0 0 185.223 1.984 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@H]1CCCO1 257898013 573913435 /nfs/dbraw/zinc/91/34/35/573913435.db2.gz OJROYHAJXSPHPS-RNFRBKRXSA-N 0 0 180.194 1.572 10 0 ADAERN CC(=O)[C@@]1(C)CC(=O)C1(C)C 238182509 573913438 /nfs/dbraw/zinc/91/34/38/573913438.db2.gz CZQZZPPFZNNUEX-SECBINFHSA-N 0 0 154.209 1.581 10 0 ADAERN O[C@H](c1cc[nH]c1)[C@H]1CCOC1 84717848 573913445 /nfs/dbraw/zinc/91/34/45/573913445.db2.gz QWPHIPZIHLYCFN-DTWKUNHWSA-N 0 0 167.208 1.085 10 0 ADAERN CC(C)CCN1NCCCC1=O 258455040 573913454 /nfs/dbraw/zinc/91/34/54/573913454.db2.gz GMLZQYCDDQJHGD-UHFFFAOYSA-N 0 0 170.256 1.160 10 0 ADAERN Cc1ccc2c(c1)OCCC(=O)N2 87439579 573913457 /nfs/dbraw/zinc/91/34/57/573913457.db2.gz FVDFXIQSMSRTHL-UHFFFAOYSA-N 0 0 177.203 1.716 10 0 ADAERN CC(C)(O)[C@@H]1C=CCC[C@H]1CO 238184790 573916460 /nfs/dbraw/zinc/91/64/60/573916460.db2.gz IIYFZQQKVBQPEV-DTWKUNHWSA-N 0 0 170.252 1.332 10 0 ADAERN CCC[C@@](C[NH3+])(C(=O)[O-])C(C)(C)F 257899375 573916471 /nfs/dbraw/zinc/91/64/71/573916471.db2.gz YLZNAWKDCJIEHK-SECBINFHSA-N 0 0 191.246 1.564 10 0 ADAERN COc1c(CON)ccc(F)c1F 258181672 573916547 /nfs/dbraw/zinc/91/65/47/573916547.db2.gz WOKXTKXVDCZINZ-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN C[C@@H](O)C(C)(C)Br 80900029 573916558 /nfs/dbraw/zinc/91/65/58/573916558.db2.gz SDOJHTSXRDLLHY-SCSAIBSYSA-N 0 0 167.046 1.541 10 0 ADAERN Nc1cccc2c1NC(=O)CCS2 259238507 573916568 /nfs/dbraw/zinc/91/65/68/573916568.db2.gz MYVFPSHLCOJFHM-UHFFFAOYSA-N 0 0 194.259 1.703 10 0 ADAERN Fc1cccc([C@@H]2CCNO2)c1 258455119 573916570 /nfs/dbraw/zinc/91/65/70/573916570.db2.gz GNDFMOHZIPEOLH-VIFPVBQESA-N 0 0 167.183 1.792 10 0 ADAERN CC(=O)[C@@]1(O)CCC=C1C 238185305 573916583 /nfs/dbraw/zinc/91/65/83/573916583.db2.gz LBKOMIZDTJOXNJ-MRVPVSSYSA-N 0 0 140.182 1.047 10 0 ADAERN CCC[C@](C[NH3+])(C(=O)[O-])C(C)(C)F 257899378 573916587 /nfs/dbraw/zinc/91/65/87/573916587.db2.gz YLZNAWKDCJIEHK-VIFPVBQESA-N 0 0 191.246 1.564 10 0 ADAERN CC[C@@](C)(CO)Nc1nncs1 80882359 573916601 /nfs/dbraw/zinc/91/66/01/573916601.db2.gz JEHNOLVVMWRSRR-ZETCQYMHSA-N 0 0 187.268 1.111 10 0 ADAERN CC(=O)[C@@]1(Cl)CCCC[C@@H]1O 238184706 573917321 /nfs/dbraw/zinc/91/73/21/573917321.db2.gz IZQODLUQVXODPQ-YUMQZZPRSA-N 0 0 176.643 1.488 10 0 ADAERN CC(C)[C@H]1CC[C@@H](C)[C@H](CO)C1=O 103210845 573916629 /nfs/dbraw/zinc/91/66/29/573916629.db2.gz HNIXJWGXJSXUMR-BBBLOLIVSA-N 0 0 184.279 1.866 10 0 ADAERN CCC[C@@](C)(O)c1ncnn1C(C)C 308462775 573916633 /nfs/dbraw/zinc/91/66/33/573916633.db2.gz GUWJXIYHNZCVGF-SNVBAGLBSA-N 0 0 197.282 1.867 10 0 ADAERN O[C@@H]1CNc2cccc(F)c2C1 257898291 573916643 /nfs/dbraw/zinc/91/66/43/573916643.db2.gz VKKMYZVESPJXKV-LURJTMIESA-N 0 0 167.183 1.155 10 0 ADAERN C[C@@H]1[C@H](c2ccccc2)OCN1CO 145063797 573916645 /nfs/dbraw/zinc/91/66/45/573916645.db2.gz PCBMTPKDENUAOQ-MWLCHTKSSA-N 0 0 193.246 1.356 10 0 ADAERN COC(=O)CCN(C)c1cccnc1 259006429 573916646 /nfs/dbraw/zinc/91/66/46/573916646.db2.gz ZPOBZBYIVOZQDW-UHFFFAOYSA-N 0 0 194.234 1.081 10 0 ADAERN CC[C@](C)(CO)Nc1ccncn1 80882193 573916650 /nfs/dbraw/zinc/91/66/50/573916650.db2.gz MHRRNWIZYUDACC-SECBINFHSA-N 0 0 181.239 1.050 10 0 ADAERN CC1=NC(=S)N2N=CS[C@@H]2C1 238184290 573916655 /nfs/dbraw/zinc/91/66/55/573916655.db2.gz URSSLUGQGFMLNR-RXMQYKEDSA-N 0 0 185.277 1.097 10 0 ADAERN CC(C)(C[C@H]([NH3+])c1cc[nH]c1)C(=O)[O-] 259236081 573916704 /nfs/dbraw/zinc/91/67/04/573916704.db2.gz HMDBZZMRZCPCAT-QMMMGPOBSA-N 0 0 196.250 1.515 10 0 ADAERN C[C@@H](N=O)c1nccs1 217511706 573916711 /nfs/dbraw/zinc/91/67/11/573916711.db2.gz REGWIPPFVAWPNL-SCSAIBSYSA-N 0 0 142.183 1.971 10 0 ADAERN CC(C)C1=N[C@@H]2CC[C@H](O)C[C@@H]2O1 257898628 573916716 /nfs/dbraw/zinc/91/67/16/573916716.db2.gz HGTYRHVJTHCCTL-YIZRAAEISA-N 0 0 183.251 1.353 10 0 ADAERN CCC[C@@H](CC)[N@H+](C)CC(=O)[O-] 233283732 573916734 /nfs/dbraw/zinc/91/67/34/573916734.db2.gz ZGZMXHGOSCUDCY-MRVPVSSYSA-N 0 0 173.256 1.582 10 0 ADAERN Cc1cccc2nnc(C3CC3)n12 257899627 573916748 /nfs/dbraw/zinc/91/67/48/573916748.db2.gz FSMPUTOELYHGHL-UHFFFAOYSA-N 0 0 173.219 1.915 10 0 ADAERN OCC[C@]1(O)CCc2ccccc2C1 145068519 573916752 /nfs/dbraw/zinc/91/67/52/573916752.db2.gz OLMHYKQBUUHWCS-GFCCVEGCSA-N 0 0 192.258 1.289 10 0 ADAERN Cc1cccc(CNC2=NCCO2)c1 103195301 573916774 /nfs/dbraw/zinc/91/67/74/573916774.db2.gz FQWBQBFMPNHWOC-UHFFFAOYSA-N 0 0 190.246 1.471 10 0 ADAERN CCn1cc(C)nc1COC 257898830 573916778 /nfs/dbraw/zinc/91/67/78/573916778.db2.gz NQOHWPAJMVIQDW-UHFFFAOYSA-N 0 0 154.213 1.358 10 0 ADAERN CC(=O)[C@H](C)OCCC(F)(F)F 131673305 573916822 /nfs/dbraw/zinc/91/68/22/573916822.db2.gz MRUOMUOETHRJOM-LURJTMIESA-N 0 0 184.157 1.933 10 0 ADAERN CC[C@](C)(CO)Nc1ccc(F)cn1 80882649 573916829 /nfs/dbraw/zinc/91/68/29/573916829.db2.gz ZWDRVWANDHIAQI-SNVBAGLBSA-N 0 0 198.241 1.794 10 0 ADAERN CO[C@](C)(CO)c1cccc(O)c1 257899320 573916849 /nfs/dbraw/zinc/91/68/49/573916849.db2.gz OQDGNPDZAKXZHE-SNVBAGLBSA-N 0 0 182.219 1.246 10 0 ADAERN CCC[C@@H](O)c1cnn(C)c1Cl 642823698 573916871 /nfs/dbraw/zinc/91/68/71/573916871.db2.gz OIEPPYVWAPBZHG-SSDOTTSWSA-N 0 0 187.650 1.332 10 0 ADAERN COC[C@H](O)[C@H](O)c1ccc(C)cc1 308462890 573916872 /nfs/dbraw/zinc/91/68/72/573916872.db2.gz DKGYOQQGYCMTLZ-WDEREUQCSA-N 0 0 196.246 1.036 10 0 ADAERN CCNCC(F)(F)Br 80881797 573916881 /nfs/dbraw/zinc/91/68/81/573916881.db2.gz CVFVSMMJQQTPMX-UHFFFAOYSA-N 0 0 188.015 1.584 10 0 ADAERN COc1cccc(C[C@H](F)C(N)=O)c1 258180373 573916900 /nfs/dbraw/zinc/91/69/00/573916900.db2.gz UYRHTJVQOOFWIR-VIFPVBQESA-N 0 0 197.209 1.061 10 0 ADAERN CC[C@@](C)(CO)Nc1ccccc1N 80885847 573916909 /nfs/dbraw/zinc/91/69/09/573916909.db2.gz OSKMLAXRKLJTJO-NSHDSACASA-N 0 0 194.278 1.842 10 0 ADAERN COC[C@H](O)[C@@H](O)c1ccc(C)cc1 308462889 573916919 /nfs/dbraw/zinc/91/69/19/573916919.db2.gz DKGYOQQGYCMTLZ-QWRGUYRKSA-N 0 0 196.246 1.036 10 0 ADAERN CC[C@@]1(C)OC(C)(C)CC1=O 145061465 573916944 /nfs/dbraw/zinc/91/69/44/573916944.db2.gz GTUBQMBMKBMUMM-SECBINFHSA-N 0 0 156.225 1.923 10 0 ADAERN CC(C)(O)[C@@H]1C=CCC[C@@H]1CO 238184772 573916945 /nfs/dbraw/zinc/91/69/45/573916945.db2.gz IIYFZQQKVBQPEV-RKDXNWHRSA-N 0 0 170.252 1.332 10 0 ADAERN CCn1oc(=O)c2cc(N)ccc21 257899349 573916956 /nfs/dbraw/zinc/91/69/56/573916956.db2.gz ORBADZKPBIZADD-UHFFFAOYSA-N 0 0 178.191 1.197 10 0 ADAERN CC1(C)CNc2cc(N)ccc2N1 259238385 573917006 /nfs/dbraw/zinc/91/70/06/573917006.db2.gz MYCFHGKDLKBXBA-UHFFFAOYSA-N 0 0 177.251 1.885 10 0 ADAERN Nc1oncc1[C@H]1CCCO1 258457101 573917060 /nfs/dbraw/zinc/91/70/60/573917060.db2.gz GPMHHELKZOMHDW-ZCFIWIBFSA-N 0 0 154.169 1.108 10 0 ADAERN CC(C)[C@@H](CO)CNc1cc[nH]c1 259009188 573917064 /nfs/dbraw/zinc/91/70/64/573917064.db2.gz ONWQCCLGYZUZAJ-SECBINFHSA-N 0 0 182.267 1.691 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2SC[C@@H]2C1 259581488 573917066 /nfs/dbraw/zinc/91/70/66/573917066.db2.gz KHTGWZXQSTXWMH-CSMHCCOUSA-N 0 0 186.276 1.691 10 0 ADAERN COc1ccc(CCN(C)O)cc1 257899416 573917067 /nfs/dbraw/zinc/91/70/67/573917067.db2.gz OTDAZQUXWVIUHU-UHFFFAOYSA-N 0 0 181.235 1.559 10 0 ADAERN CCN[C@@]1(C(F)F)CO[C@H](C)C1 401520093 573917110 /nfs/dbraw/zinc/91/71/10/573917110.db2.gz QIFZFBHBPZCAQN-HTRCEHHLSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@H]1[C@H](CO)CC(=O)N1C1CCCC1 259237044 573917115 /nfs/dbraw/zinc/91/71/15/573917115.db2.gz DRTPSDSDUQGFQK-IUCAKERBSA-N 0 0 197.278 1.158 10 0 ADAERN CC1=C[C@]2(C)NC(=O)[C@@]2(C)C1 238185448 573917125 /nfs/dbraw/zinc/91/71/25/573917125.db2.gz NPFABTVPCQULJV-BDAKNGLRSA-N 0 0 151.209 1.231 10 0 ADAERN COC(=O)/C(=C\Br)OC 215883893 573917137 /nfs/dbraw/zinc/91/71/37/573917137.db2.gz ZXTQQKFAKBMPFJ-ONEGZZNKSA-N 0 0 195.012 1.042 10 0 ADAERN CO[C@H]1CC[C@@H](C)CO1 145062773 573917149 /nfs/dbraw/zinc/91/71/49/573917149.db2.gz IBSIWBVFAQVTEB-RNFRBKRXSA-N 0 0 130.187 1.405 10 0 ADAERN CC[C@@](C)(CO)Nc1ccncn1 80882192 573917157 /nfs/dbraw/zinc/91/71/57/573917157.db2.gz MHRRNWIZYUDACC-VIFPVBQESA-N 0 0 181.239 1.050 10 0 ADAERN CC(=O)CCOCCC(F)(F)F 131674775 573917159 /nfs/dbraw/zinc/91/71/59/573917159.db2.gz CPQNFARVPBLKTG-UHFFFAOYSA-N 0 0 184.157 1.935 10 0 ADAERN CC1(C)CC(=O)[C@H](O)[C@](C)(Cl)C1 238185449 573917177 /nfs/dbraw/zinc/91/71/77/573917177.db2.gz FGVUKQHTFQJELL-IONNQARKSA-N 0 0 190.670 1.734 10 0 ADAERN CN1C[C@@H](CCO)c2cc(F)ccc21 257898716 573917183 /nfs/dbraw/zinc/91/71/83/573917183.db2.gz AIXZPFKDIWTUJU-MRVPVSSYSA-N 0 0 195.237 1.742 10 0 ADAERN Cc1cc(Nc2ncccn2)n[nH]1 145055743 573917206 /nfs/dbraw/zinc/91/72/06/573917206.db2.gz HYNMWNICOJUROU-UHFFFAOYSA-N 0 0 175.195 1.252 10 0 ADAERN O=Cc1cccc2[nH][nH]c(=O)c12 258455158 573917213 /nfs/dbraw/zinc/91/72/13/573917213.db2.gz GNLQPKMXGPRBGA-UHFFFAOYSA-N 0 0 162.148 1.081 10 0 ADAERN c1coc(-c2nnc3cnccn23)c1 103215104 573917241 /nfs/dbraw/zinc/91/72/41/573917241.db2.gz GYKUPZKMRBIZQG-UHFFFAOYSA-N 0 0 186.174 1.384 10 0 ADAERN CC(C)OC(C)(C)[C@@H](C)O 238185289 573917265 /nfs/dbraw/zinc/91/72/65/573917265.db2.gz AUKWQKRAEANQBC-SSDOTTSWSA-N 0 0 146.230 1.571 10 0 ADAERN Cc1ccc2c(n1)NCCOC2 145063272 573917288 /nfs/dbraw/zinc/91/72/88/573917288.db2.gz STOYJTORLYEGFT-UHFFFAOYSA-N 0 0 164.208 1.332 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H](C)[NH+](C)C 259239952 573917293 /nfs/dbraw/zinc/91/72/93/573917293.db2.gz BDFSKPUFWIHPPA-YUMQZZPRSA-N 0 0 173.256 1.293 10 0 ADAERN CCSc1cnn(C(C)C)c1N 642823942 573919058 /nfs/dbraw/zinc/91/90/58/573919058.db2.gz XNPAYZCZCIOOIN-UHFFFAOYSA-N 0 0 184.288 1.380 10 0 ADAERN C[C@H](N=O)c1nccs1 217511636 573919067 /nfs/dbraw/zinc/91/90/67/573919067.db2.gz REGWIPPFVAWPNL-BYPYZUCNSA-N 0 0 142.183 1.971 10 0 ADAERN CNC(=O)Oc1nc2ccccc2[nH]1 103199961 573919081 /nfs/dbraw/zinc/91/90/81/573919081.db2.gz ZAIRCVNISFRBHW-UHFFFAOYSA-N 0 0 191.190 1.281 10 0 ADAERN CC(C)(C)OC(=O)N[C@@H]1C=CCOC1 238185807 573919149 /nfs/dbraw/zinc/91/91/49/573919149.db2.gz PVACWFLIZLVCPB-MRVPVSSYSA-N 0 0 199.250 1.466 10 0 ADAERN COc1ccc([C@@]2(CO)C[C@H]2C)cc1 259007333 573918276 /nfs/dbraw/zinc/91/82/76/573918276.db2.gz NPVSAWGNEAJXJB-BXKDBHETSA-N 0 0 192.258 1.965 10 0 ADAERN CC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 197138382 573918323 /nfs/dbraw/zinc/91/83/23/573918323.db2.gz UUYQIFODBYTPSK-MRVPVSSYSA-N 0 0 199.250 1.585 10 0 ADAERN Cc1cn(C)c(Oc2cccnc2)n1 257898954 573918324 /nfs/dbraw/zinc/91/83/24/573918324.db2.gz NTCSPAPWYUXODW-UHFFFAOYSA-N 0 0 189.218 1.916 10 0 ADAERN [NH3+][C@H](C[C@@H](F)C1CCCC1)C(=O)[O-] 257899466 573918354 /nfs/dbraw/zinc/91/83/54/573918354.db2.gz YOTJENGKZRTMCY-HTQZYQBOSA-N 0 0 189.230 1.317 10 0 ADAERN CC(=O)Cc1noc(CC(C)(C)C)n1 258181746 573918356 /nfs/dbraw/zinc/91/83/56/573918356.db2.gz YBCFBCQDENAFPT-UHFFFAOYSA-N 0 0 196.250 1.790 10 0 ADAERN COc1cc(F)cc(CON)c1F 258181793 573918396 /nfs/dbraw/zinc/91/83/96/573918396.db2.gz WPTQCEXXEHABMG-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN CCC[C@@H](C)[C@](C)(O)C(OC)OC 233283755 573918422 /nfs/dbraw/zinc/91/84/22/573918422.db2.gz FTVGOCMABNEBIS-SCZZXKLOSA-N 0 0 190.283 1.793 10 0 ADAERN OCCCc1nccc(C2CCC2)n1 259007597 573918424 /nfs/dbraw/zinc/91/84/24/573918424.db2.gz DUSKLSLBQOIFOA-UHFFFAOYSA-N 0 0 192.262 1.669 10 0 ADAERN CCCCC[C@](C)(O)c1ncnn1C 308462673 573918431 /nfs/dbraw/zinc/91/84/31/573918431.db2.gz GSFIQHLWMODEGF-JTQLQIEISA-N 0 0 197.282 1.603 10 0 ADAERN O=c1ncc2c([nH]1)CCSCC2 257899391 573918461 /nfs/dbraw/zinc/91/84/61/573918461.db2.gz ORYYPJPEJBAPMO-UHFFFAOYSA-N 0 0 182.248 1.014 10 0 ADAERN CC(=O)[C@@]12CCCC[C@H]1CCO2 238186511 573918487 /nfs/dbraw/zinc/91/84/87/573918487.db2.gz KFDZXVSZFKXZBA-UWVGGRQHSA-N 0 0 168.236 1.925 10 0 ADAERN CC(=O)[C@@]12CC=CC[C@@H]1CCC2=O 238186032 573918525 /nfs/dbraw/zinc/91/85/25/573918525.db2.gz IHENBURXLXBDSG-KOLCDFICSA-N 0 0 178.231 1.891 10 0 ADAERN Cc1c(C=O)ncn1C(C)C 238186757 573918532 /nfs/dbraw/zinc/91/85/32/573918532.db2.gz JSEWWPPXUROHCX-UHFFFAOYSA-N 0 0 152.197 1.585 10 0 ADAERN C[C@H]1C[C@@]1(CO)c1cccnc1 259005833 573918538 /nfs/dbraw/zinc/91/85/38/573918538.db2.gz NKLMJULAHHAWKA-WPRPVWTQSA-N 0 0 163.220 1.352 10 0 ADAERN COc1cccc(/C=C(\C)[C@@H](C)O)n1 393653650 573918542 /nfs/dbraw/zinc/91/85/42/573918542.db2.gz CDHCQGYVNRARPR-FCZSHJHJSA-N 0 0 193.246 1.874 10 0 ADAERN CC1(C)OCc2c(Cl)ncnc21 238185646 573918556 /nfs/dbraw/zinc/91/85/56/573918556.db2.gz UKWIVQPFQANLDF-UHFFFAOYSA-N 0 0 184.626 1.895 10 0 ADAERN CCN1CCC[C@@H]1n1cc([O-])cn1 257898896 573918563 /nfs/dbraw/zinc/91/85/63/573918563.db2.gz HNQZGMCZMXMQLT-VIFPVBQESA-N 0 0 181.239 1.203 10 0 ADAERN Nc1cccc(N2OCCCC2=O)c1 257899452 573918587 /nfs/dbraw/zinc/91/85/87/573918587.db2.gz YNYQKWVQSWNIPV-UHFFFAOYSA-N 0 0 192.218 1.327 10 0 ADAERN COC(=O)[C@@H](C)c1ccc(F)cc1O 145092590 573918591 /nfs/dbraw/zinc/91/85/91/573918591.db2.gz ICVYNHFCZHLUHA-LURJTMIESA-N 0 0 198.193 1.808 10 0 ADAERN C[S@@](=O)Cc1ccc(N)cc1F 84837280 573918597 /nfs/dbraw/zinc/91/85/97/573918597.db2.gz IPNRVDJAJDEMAK-LBPRGKRZSA-N 0 0 187.239 1.286 10 0 ADAERN CC(C)[C@H](CO)CNc1cc[nH]c1 259009189 573918607 /nfs/dbraw/zinc/91/86/07/573918607.db2.gz ONWQCCLGYZUZAJ-VIFPVBQESA-N 0 0 182.267 1.691 10 0 ADAERN CC(C)n1ccc(C(=O)N(C)C)c1N 257898949 573918653 /nfs/dbraw/zinc/91/86/53/573918653.db2.gz KEKXLQPNNOVDOH-UHFFFAOYSA-N 0 0 195.266 1.353 10 0 ADAERN CC[C@H](NC)C(=O)OC1CCCC1 44626789 573918660 /nfs/dbraw/zinc/91/86/60/573918660.db2.gz PXZWMSQCAAHNSY-VIFPVBQESA-N 0 0 185.267 1.470 10 0 ADAERN COc1cccc(C[C@@H](F)C(N)=O)c1 258180370 573918721 /nfs/dbraw/zinc/91/87/21/573918721.db2.gz UYRHTJVQOOFWIR-SECBINFHSA-N 0 0 197.209 1.061 10 0 ADAERN COCCCc1nc(C[C@@H](C)O)co1 257899155 573918756 /nfs/dbraw/zinc/91/87/56/573918756.db2.gz DHUBGJULLAMYFZ-MRVPVSSYSA-N 0 0 199.250 1.177 10 0 ADAERN Cc1onc([C@@H]([NH3+])C(C)C)c1C(=O)[O-] 238186165 573918771 /nfs/dbraw/zinc/91/87/71/573918771.db2.gz AYWAUEQGQMBCMS-ZETCQYMHSA-N 0 0 198.222 1.337 10 0 ADAERN Nc1oncc1[C@@H]1CCCO1 258457096 573918786 /nfs/dbraw/zinc/91/87/86/573918786.db2.gz GPMHHELKZOMHDW-LURJTMIESA-N 0 0 154.169 1.108 10 0 ADAERN CCc1noc([C@H](CC)NC)n1 44625860 573918793 /nfs/dbraw/zinc/91/87/93/573918793.db2.gz DAQZWVUPIQOAEG-LURJTMIESA-N 0 0 169.228 1.303 10 0 ADAERN CCc1c(Cl)ccnc1N 80867333 573918812 /nfs/dbraw/zinc/91/88/12/573918812.db2.gz OBEPJGGZOFWIPY-UHFFFAOYSA-N 0 0 156.616 1.880 10 0 ADAERN CC(=O)[C@@]12CC=CC[C@H]1CCC2=O 238186055 573918847 /nfs/dbraw/zinc/91/88/47/573918847.db2.gz IHENBURXLXBDSG-ONGXEEELSA-N 0 0 178.231 1.891 10 0 ADAERN OC[C@H](F)Cc1ccc(O)cc1 258457259 573918878 /nfs/dbraw/zinc/91/88/78/573918878.db2.gz GRYTXPYTLRVUPY-MRVPVSSYSA-N 0 0 170.183 1.265 10 0 ADAERN CC(=O)[C@@]1(O)C[C@H]2CC[C@@H]1C2 238185732 573918916 /nfs/dbraw/zinc/91/89/16/573918916.db2.gz PRBBKCTUBHGEHN-YIZRAAEISA-N 0 0 154.209 1.127 10 0 ADAERN C[S@](=O)Cc1ccco1 80874778 573918922 /nfs/dbraw/zinc/91/89/22/573918922.db2.gz RVBNVHBRYODBLU-SECBINFHSA-N 0 0 144.195 1.158 10 0 ADAERN CC[C@H]1CCN1C(=O)N[C@@H]1CC12CC2 335137728 573918935 /nfs/dbraw/zinc/91/89/35/573918935.db2.gz OWBJYTFIMDGKNL-DTWKUNHWSA-N 0 0 194.278 1.733 10 0 ADAERN COC(=O)CC[C@@H]1SCCC1=O 259582221 573918938 /nfs/dbraw/zinc/91/89/38/573918938.db2.gz KIWGFMVNULJWDU-ZETCQYMHSA-N 0 0 188.248 1.014 10 0 ADAERN CC(C)C(=O)C(=S)N(C)C 238186489 573918951 /nfs/dbraw/zinc/91/89/51/573918951.db2.gz LQVVOSJWVSOTPH-UHFFFAOYSA-N 0 0 159.254 1.101 10 0 ADAERN CCCOC[C@H](O)CC(C)C 44653209 573918963 /nfs/dbraw/zinc/91/89/63/573918963.db2.gz XKEGANLQWICIFP-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CCOC(=O)CC[C@H]1SCC1=O 259582436 573918966 /nfs/dbraw/zinc/91/89/66/573918966.db2.gz KMETVILVMWYHPO-SSDOTTSWSA-N 0 0 188.248 1.014 10 0 ADAERN CC[C@@](C)(CO)Nc1cc(C)ccn1 80882908 573918974 /nfs/dbraw/zinc/91/89/74/573918974.db2.gz LNEGRDZIBWDPLL-NSHDSACASA-N 0 0 194.278 1.963 10 0 ADAERN CCOC[C@@H](O)C(C)(C)CC 123073774 573918998 /nfs/dbraw/zinc/91/89/98/573918998.db2.gz LFTTYLRHWYWJNU-MRVPVSSYSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)C(=O)C(=O)NC1CCCCC1 238186286 573919023 /nfs/dbraw/zinc/91/90/23/573919023.db2.gz YIXGRJQSBFKTGE-UHFFFAOYSA-N 0 0 197.278 1.660 10 0 ADAERN CC[C@@H](OC)C(=O)c1ccoc1 131663586 573919041 /nfs/dbraw/zinc/91/90/41/573919041.db2.gz BXBRXFKFCBXGOH-MRVPVSSYSA-N 0 0 168.192 1.887 10 0 ADAERN Cc1cc(CNO)cc2c1OCCO2 258181940 573920228 /nfs/dbraw/zinc/92/02/28/573920228.db2.gz WRIVWTOYMYFAFH-UHFFFAOYSA-N 0 0 195.218 1.245 10 0 ADAERN CC1(C)O[C@@]12CCCC2=O 238185959 573920253 /nfs/dbraw/zinc/92/02/53/573920253.db2.gz PDIJOBYOIPPLEE-MRVPVSSYSA-N 0 0 140.182 1.287 10 0 ADAERN CCn1cc([C@@H]2CCC(=O)[C@@H]2C)cn1 84870061 573920255 /nfs/dbraw/zinc/92/02/55/573920255.db2.gz NKIPDGRGYLYYMF-PSASIEDQSA-N 0 0 192.262 1.986 10 0 ADAERN C[C@]1(c2ccccc2N)CNC(=O)O1 257899460 573920256 /nfs/dbraw/zinc/92/02/56/573920256.db2.gz YOPPWFUKESYEBG-SNVBAGLBSA-N 0 0 192.218 1.224 10 0 ADAERN CCCCOC(=O)[C@H](CC)NC 44626727 573921083 /nfs/dbraw/zinc/92/10/83/573921083.db2.gz LVDJTXCXKZFXLW-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN CCCNCC(=O)O[C@H](C)CC 44626739 573921097 /nfs/dbraw/zinc/92/10/97/573921097.db2.gz GUCSSIJYCDZGOL-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CSCCn1cc(C(C)=O)c(C)n1 393571261 573921110 /nfs/dbraw/zinc/92/11/10/573921110.db2.gz YFWJDNLDWSZVOI-UHFFFAOYSA-N 0 0 198.291 1.757 10 0 ADAERN [NH3+][C@@H](/C=C/C(=O)[O-])C1CCCC1 259581786 573920262 /nfs/dbraw/zinc/92/02/62/573920262.db2.gz WDAUWNFVEDIGCX-GJIOHYHPSA-N 0 0 169.224 1.145 10 0 ADAERN CC(C)SC[C@H](O)C(C)(C)O 238186027 573920306 /nfs/dbraw/zinc/92/03/06/573920306.db2.gz NDHUZOCIFVQTNT-ZETCQYMHSA-N 0 0 178.297 1.260 10 0 ADAERN CCc1c[nH]c([C@@H](CO)C(C)C)n1 259005669 573920324 /nfs/dbraw/zinc/92/03/24/573920324.db2.gz CQVRTXHWMRLFTK-VIFPVBQESA-N 0 0 182.267 1.704 10 0 ADAERN C[N@@H+](C1CCC1)[C@H](C(=O)[O-])C1CC1 127580180 573921146 /nfs/dbraw/zinc/92/11/46/573921146.db2.gz OBPUDKLPWMLCAN-VIFPVBQESA-N 0 0 183.251 1.334 10 0 ADAERN CCC(CC)C[C@@H](O)c1cnn(C)n1 308463150 573920332 /nfs/dbraw/zinc/92/03/32/573920332.db2.gz GYVBXGGCUVGLDD-SNVBAGLBSA-N 0 0 197.282 1.675 10 0 ADAERN C[C@H]1CCCN1C(=O)N[C@H]1CC12CC2 335142433 573920336 /nfs/dbraw/zinc/92/03/36/573920336.db2.gz VANYCYGSCAJLHG-IUCAKERBSA-N 0 0 194.278 1.733 10 0 ADAERN CCOC(=O)CC[C@@H]1SCC1=O 259582438 573920340 /nfs/dbraw/zinc/92/03/40/573920340.db2.gz KMETVILVMWYHPO-ZETCQYMHSA-N 0 0 188.248 1.014 10 0 ADAERN CC1=CC(=O)N(CC2(C)CC2)C1=O 235807292 573920344 /nfs/dbraw/zinc/92/03/44/573920344.db2.gz BCZHQGMSHALNEO-UHFFFAOYSA-N 0 0 179.219 1.102 10 0 ADAERN CC(C)Cc1ccc2c(N)n[nH]c2n1 238186474 573920373 /nfs/dbraw/zinc/92/03/73/573920373.db2.gz FYHYPBRESJFKKQ-UHFFFAOYSA-N 0 0 190.250 1.739 10 0 ADAERN COCCCCNc1ccc(N)nc1 44656854 573920412 /nfs/dbraw/zinc/92/04/12/573920412.db2.gz MVINWJLFYKCDGU-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN CC(C)N1C(=S)SC[C@H]1O 238186421 573920431 /nfs/dbraw/zinc/92/04/31/573920431.db2.gz AKVZOMHTHKIHJD-RXMQYKEDSA-N 0 0 177.294 1.047 10 0 ADAERN CCCCn1cnc(COC)c1N 393571328 573920461 /nfs/dbraw/zinc/92/04/61/573920461.db2.gz YKDZJRDSZSBWSR-UHFFFAOYSA-N 0 0 183.255 1.412 10 0 ADAERN CC(C)(O)[C@@H]1CC[C@H](CCO)C1 238185962 573920492 /nfs/dbraw/zinc/92/04/92/573920492.db2.gz QUKFVOHOYSEXOK-RKDXNWHRSA-N 0 0 172.268 1.556 10 0 ADAERN COC(=O)Nc1ccc(C)c(O)c1 84844489 573920502 /nfs/dbraw/zinc/92/05/02/573920502.db2.gz CXLDVCHKDQNLKM-UHFFFAOYSA-N 0 0 181.191 1.879 10 0 ADAERN O=CN[C@@H]1CCOc2ccccc21 84889074 573920519 /nfs/dbraw/zinc/92/05/19/573920519.db2.gz WOUYRXWFVZTTDZ-SECBINFHSA-N 0 0 177.203 1.256 10 0 ADAERN Cc1cc2oncc2cc1C=O 259582549 573920520 /nfs/dbraw/zinc/92/05/20/573920520.db2.gz XOASWCGCAVWUJT-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CC1(C)ON=C(c2ccccc2N)O1 238185917 573920529 /nfs/dbraw/zinc/92/05/29/573920529.db2.gz IPWHJBQTHCSVTQ-UHFFFAOYSA-N 0 0 192.218 1.713 10 0 ADAERN CC1=CS(=O)(=O)C(OC(C)C)=N1 257898911 573920538 /nfs/dbraw/zinc/92/05/38/573920538.db2.gz NSELCMXXNLMNIQ-UHFFFAOYSA-N 0 0 189.236 1.057 10 0 ADAERN CCNCC(=O)OCc1cccs1 44627167 573920548 /nfs/dbraw/zinc/92/05/48/573920548.db2.gz CZAOECBDXWMPGI-UHFFFAOYSA-N 0 0 199.275 1.401 10 0 ADAERN CC[C@](O)(C1CC1)[C@H]1CCOC1 84877445 573920553 /nfs/dbraw/zinc/92/05/53/573920553.db2.gz DJZDMTCDYWXWSP-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1nc2nsc(N)c2s1 145079127 573920555 /nfs/dbraw/zinc/92/05/55/573920555.db2.gz NUNULPBFJYFGSH-UHFFFAOYSA-N 0 0 171.250 1.643 10 0 ADAERN COC(=O)C(C)(C)n1ccc(C)n1 259582211 573920562 /nfs/dbraw/zinc/92/05/62/573920562.db2.gz KITYSRQPWSXXJC-UHFFFAOYSA-N 0 0 182.223 1.100 10 0 ADAERN CCCCOC(=O)[C@@H](CC)NC 44626725 573920565 /nfs/dbraw/zinc/92/05/65/573920565.db2.gz LVDJTXCXKZFXLW-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN C[C@H]1CC(=O)Nc2cc(N)ccc2N1 103178930 573920579 /nfs/dbraw/zinc/92/05/79/573920579.db2.gz ZUJFJRKGNNHMRQ-LURJTMIESA-N 0 0 191.234 1.411 10 0 ADAERN CC1(C)OCc2cc(N)ccc2O1 238185735 573920599 /nfs/dbraw/zinc/92/05/99/573920599.db2.gz ZJCWSBUMJKJALM-UHFFFAOYSA-N 0 0 179.219 1.914 10 0 ADAERN COC(=O)[C@H](C)N(C)C1CCC1 127579662 573920627 /nfs/dbraw/zinc/92/06/27/573920627.db2.gz BQDVPDLQORMGHA-ZETCQYMHSA-N 0 0 171.240 1.032 10 0 ADAERN CCCCCOC(=O)[C@H](CC)NC 44627141 573920630 /nfs/dbraw/zinc/92/06/30/573920630.db2.gz YWJBKIXTGUASGD-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN CCCC(=O)N(C)c1ccncc1N 42140482 573920636 /nfs/dbraw/zinc/92/06/36/573920636.db2.gz UKXJDYVMCPHSHR-UHFFFAOYSA-N 0 0 193.250 1.427 10 0 ADAERN C[C@@H]1C[C@]1(CO)c1cccnc1 259005827 573920655 /nfs/dbraw/zinc/92/06/55/573920655.db2.gz NKLMJULAHHAWKA-PSASIEDQSA-N 0 0 163.220 1.352 10 0 ADAERN CCCCN1C(=O)[C@H](CC)N(C)C1=O 44626475 573920668 /nfs/dbraw/zinc/92/06/68/573920668.db2.gz ZRECFUKQPWBYGL-QMMMGPOBSA-N 0 0 198.266 1.459 10 0 ADAERN COC(=O)CC[C@H]1SCCC1=O 259582219 573920698 /nfs/dbraw/zinc/92/06/98/573920698.db2.gz KIWGFMVNULJWDU-SSDOTTSWSA-N 0 0 188.248 1.014 10 0 ADAERN CCCC(Cl)(Cl)C(N)=O 238185806 573920702 /nfs/dbraw/zinc/92/07/02/573920702.db2.gz VLTKZYUPOWQJJB-UHFFFAOYSA-N 0 0 170.039 1.446 10 0 ADAERN C[C@H]1C[C@]1(CO)c1cccnc1 259005831 573920703 /nfs/dbraw/zinc/92/07/03/573920703.db2.gz NKLMJULAHHAWKA-WCBMZHEXSA-N 0 0 163.220 1.352 10 0 ADAERN CC1(C)CC(=O)[C@]2(C)C=CO[C@H]12 238185876 573920746 /nfs/dbraw/zinc/92/07/46/573920746.db2.gz OICHTAYPIQXROV-SCZZXKLOSA-N 0 0 166.220 1.904 10 0 ADAERN CON[C@@H]1CC[C@@H](C)[C@@H](C)C1 84882813 573920749 /nfs/dbraw/zinc/92/07/49/573920749.db2.gz YSCAIKVFHMVUNO-HRDYMLBCSA-N 0 0 157.257 1.962 10 0 ADAERN CCOC(=O)[C@]1(F)CCCC[C@@H]1O 145076451 573920770 /nfs/dbraw/zinc/92/07/70/573920770.db2.gz NDKDIEOYJKYBSI-CBAPKCEASA-N 0 0 190.214 1.193 10 0 ADAERN CCOc1cccc(OC)c1CON 258182017 573920796 /nfs/dbraw/zinc/92/07/96/573920796.db2.gz WSQDLVHGPDHHMR-UHFFFAOYSA-N 0 0 197.234 1.484 10 0 ADAERN COc1cc2c(C)n(C)nc2cc1N 259582616 573920805 /nfs/dbraw/zinc/92/08/05/573920805.db2.gz XQSZIQRFOBMLGM-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN FC(F)CNC1C2(CC2)C12CC2 642824120 573920828 /nfs/dbraw/zinc/92/08/28/573920828.db2.gz OTYXPBOWKGRBGJ-UHFFFAOYSA-N 0 0 173.206 1.784 10 0 ADAERN C/C=C/C[N@@H+]1CCCCC[C@@H]1C(=O)[O-] 80992280 573920831 /nfs/dbraw/zinc/92/08/31/573920831.db2.gz SESXHJDUWWVOAO-VMZHVLLKSA-N 0 0 197.278 1.892 10 0 ADAERN CC1=Cc2ccccc2N(C(N)=O)C1 238186445 573920833 /nfs/dbraw/zinc/92/08/33/573920833.db2.gz PLYFENGGADVOEQ-UHFFFAOYSA-N 0 0 188.230 1.989 10 0 ADAERN COCCONC[C@@H](C)CC(F)F 688727607 573920849 /nfs/dbraw/zinc/92/08/49/573920849.db2.gz OMTSXRCNGUQGSD-ZETCQYMHSA-N 0 0 197.225 1.445 10 0 ADAERN O=CNc1ccc(F)c(F)c1F 84889062 573920856 /nfs/dbraw/zinc/92/08/56/573920856.db2.gz DHRQEUMXYZSYGN-UHFFFAOYSA-N 0 0 175.109 1.672 10 0 ADAERN CC(C)(C)CCNc1nnns1 259007950 573920863 /nfs/dbraw/zinc/92/08/63/573920863.db2.gz NLOLGIQUBWIKGH-UHFFFAOYSA-N 0 0 186.284 1.781 10 0 ADAERN CC(C)[C@H](O)n1nc2ccccc2n1 145077454 573920871 /nfs/dbraw/zinc/92/08/71/573920871.db2.gz GOUFSHMDCJCGDB-JTQLQIEISA-N 0 0 191.234 1.578 10 0 ADAERN Cc1noc(NCCC(F)(F)F)n1 235804645 573920877 /nfs/dbraw/zinc/92/08/77/573920877.db2.gz LOQKDDIRXKLIPI-UHFFFAOYSA-N 0 0 195.144 1.742 10 0 ADAERN O=C(C1CCC1)C1CCOCC1 84888065 573920899 /nfs/dbraw/zinc/92/08/99/573920899.db2.gz AZGFRXQLOQXNCC-UHFFFAOYSA-N 0 0 168.236 1.782 10 0 ADAERN CC(=O)[C@@]12CCC[C@@H]1CN=N2 238186930 573920909 /nfs/dbraw/zinc/92/09/09/573920909.db2.gz STHGBPBJNGYFMJ-SFYZADRCSA-N 0 0 152.197 1.580 10 0 ADAERN CCCCn1cnc(N)c2ncnc1-2 103155508 573920944 /nfs/dbraw/zinc/92/09/44/573920944.db2.gz ZMPHCGXTTKSPRB-UHFFFAOYSA-N 0 0 191.238 1.160 10 0 ADAERN CC[C@H](NC)C(=O)O[C@H](C)CC 44626745 573920947 /nfs/dbraw/zinc/92/09/47/573920947.db2.gz VRJIHFISPADBFP-SFYZADRCSA-N 0 0 173.256 1.326 10 0 ADAERN C=C=C(CC)[C@@H](C)O 238185710 573920955 /nfs/dbraw/zinc/92/09/55/573920955.db2.gz PHYJIZJZWNGLNO-ZCFIWIBFSA-N 0 0 112.172 1.489 10 0 ADAERN CC(=O)N[C@H]1CC[C@H](C)[C@H]1C 84876944 573920961 /nfs/dbraw/zinc/92/09/61/573920961.db2.gz IRSVBWDQOMRUIT-OOZYFLPDSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1c(C=O)ccc2cn(C)nc12 259582577 573920979 /nfs/dbraw/zinc/92/09/79/573920979.db2.gz XOWKZCUUNPIZNG-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN COc1ccc([C@]2(CO)C[C@H]2C)cc1 259007336 573920988 /nfs/dbraw/zinc/92/09/88/573920988.db2.gz NPVSAWGNEAJXJB-SKDRFNHKSA-N 0 0 192.258 1.965 10 0 ADAERN C=C=C(CC)[C@H](C)O 238185790 573920995 /nfs/dbraw/zinc/92/09/95/573920995.db2.gz PHYJIZJZWNGLNO-LURJTMIESA-N 0 0 112.172 1.489 10 0 ADAERN CONC1C[C@@H](C)C[C@H](C)C1 84882804 573920997 /nfs/dbraw/zinc/92/09/97/573920997.db2.gz XDMKEYWWASITIL-YUMQZZPRSA-N 0 0 157.257 1.962 10 0 ADAERN CC(C)N1C(=S)SC[C@@H]1O 238185644 573921000 /nfs/dbraw/zinc/92/10/00/573921000.db2.gz AKVZOMHTHKIHJD-YFKPBYRVSA-N 0 0 177.294 1.047 10 0 ADAERN Cc1ccccc1-c1cn[nH]c(=O)c1 235803700 573921007 /nfs/dbraw/zinc/92/10/07/573921007.db2.gz UAFJUAQMIQOBSI-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN C[N@H+](CC(C)(C)C(=O)[O-])C1CCC1 127581087 573921011 /nfs/dbraw/zinc/92/10/11/573921011.db2.gz OHHAJSTYENPXRQ-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN CCN(CC1CCC1)C(=O)NOC 308464217 573921022 /nfs/dbraw/zinc/92/10/22/573921022.db2.gz IMLXZSPEPAHDCF-UHFFFAOYSA-N 0 0 186.255 1.379 10 0 ADAERN O=C(OC1CCC1)[C@@H]1CCCCCN1 80989873 573922921 /nfs/dbraw/zinc/92/29/21/573922921.db2.gz FIILKJLRIDXDGE-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN OC[C@@]1(O)CCc2c(F)cccc2C1 257901408 573922025 /nfs/dbraw/zinc/92/20/25/573922025.db2.gz YTWJTYNHBKXEBE-LLVKDONJSA-N 0 0 196.221 1.038 10 0 ADAERN CCn1cc([C@H]2CCC(=O)[C@@H]2C)cn1 84870062 573922042 /nfs/dbraw/zinc/92/20/42/573922042.db2.gz NKIPDGRGYLYYMF-SCZZXKLOSA-N 0 0 192.262 1.986 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@H](C)[C@@H]1C 84876957 573922928 /nfs/dbraw/zinc/92/29/28/573922928.db2.gz FJKKMOJDHVAWSS-XHNCKOQMSA-N 0 0 169.268 1.947 10 0 ADAERN CC(C)[C@@H]1C[C@@H]2[C@@H](O)CCC[C@H]2O1 238186871 573922063 /nfs/dbraw/zinc/92/20/63/573922063.db2.gz JORPNTZFSMFOPQ-YTWAJWBKSA-N 0 0 184.279 1.961 10 0 ADAERN CC[C@@H](NC)C(=O)OCC(C)C 44626900 573922067 /nfs/dbraw/zinc/92/20/67/573922067.db2.gz ISCUQAGOOSKVDA-MRVPVSSYSA-N 0 0 173.256 1.184 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@@H](C)[C@H]1C(=O)[O-] 299908188 573922078 /nfs/dbraw/zinc/92/20/78/573922078.db2.gz IMHSJSGKQGJKCT-SCZZXKLOSA-N 0 0 199.294 1.970 10 0 ADAERN CC(=O)[C@@H]1C(C)[C@H]1C(C)=O 238186080 573922091 /nfs/dbraw/zinc/92/20/91/573922091.db2.gz VXUHIJZLBKMBDZ-YUMQZZPRSA-N 0 0 140.182 1.047 10 0 ADAERN CC1(C)O[C@@]2(C)[C@@H](C1=O)C2(C)C 238187028 573922095 /nfs/dbraw/zinc/92/20/95/573922095.db2.gz HBEILRRZMUPKPD-WKEGUHRASA-N 0 0 168.236 1.779 10 0 ADAERN OC1CCC(Oc2cccnc2)CC1 259582105 573922096 /nfs/dbraw/zinc/92/20/96/573922096.db2.gz OWBDDSBYKMSONZ-UHFFFAOYSA-N 0 0 193.246 1.764 10 0 ADAERN CC[C@H](C)OC(=O)[C@@H](CC)NC 44626743 573922113 /nfs/dbraw/zinc/92/21/13/573922113.db2.gz VRJIHFISPADBFP-JGVFFNPUSA-N 0 0 173.256 1.326 10 0 ADAERN Cc1cnc(C)c(S[C@H](C)CO)n1 642824121 573922118 /nfs/dbraw/zinc/92/21/18/573922118.db2.gz OZINJFYZVHDVDX-SSDOTTSWSA-N 0 0 198.291 1.466 10 0 ADAERN CC1=Cc2cc(C)[nH]c(=O)c2CO1 238186176 573922123 /nfs/dbraw/zinc/92/21/23/573922123.db2.gz VSKWRKPVDBIKFR-UHFFFAOYSA-N 0 0 177.203 1.574 10 0 ADAERN Nc1cc(-c2cccc(F)c2O)no1 258181986 573922126 /nfs/dbraw/zinc/92/21/26/573922126.db2.gz WRZMWXPNEXCVLP-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN NOCc1cc2cccc(O)c2s1 258182276 573922194 /nfs/dbraw/zinc/92/21/94/573922194.db2.gz MZSVVJBXFBHBTQ-UHFFFAOYSA-N 0 0 195.243 1.997 10 0 ADAERN O=CN[C@H](c1ccccc1)C1CC1 84889078 573922207 /nfs/dbraw/zinc/92/22/07/573922207.db2.gz DDBIXZVIOZQERV-LLVKDONJSA-N 0 0 175.231 1.884 10 0 ADAERN Nc1cc(CC(=O)C2CCC2)ccn1 84888082 573922216 /nfs/dbraw/zinc/92/22/16/573922216.db2.gz WLRZBHYQIPYGFE-UHFFFAOYSA-N 0 0 190.246 1.576 10 0 ADAERN C[C@H](O)[C@H](F)C[C@@H]1CCCCO1 257900160 573922218 /nfs/dbraw/zinc/92/22/18/573922218.db2.gz OTIOVSKRRYYMJY-XHNCKOQMSA-N 0 0 176.231 1.665 10 0 ADAERN CC[C@@](O)(C1CC1)[C@H]1CCOC1 84877443 573922250 /nfs/dbraw/zinc/92/22/50/573922250.db2.gz DJZDMTCDYWXWSP-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1cc(=O)[nH]c2cc(N)c(O)cc12 145078047 573922259 /nfs/dbraw/zinc/92/22/59/573922259.db2.gz HWJAGXLPPYXMQH-UHFFFAOYSA-N 0 0 190.202 1.124 10 0 ADAERN CCCOCc1ncc(C=O)s1 44654620 573922273 /nfs/dbraw/zinc/92/22/73/573922273.db2.gz XLFBBEJAELRKEC-UHFFFAOYSA-N 0 0 185.248 1.882 10 0 ADAERN COCCCCNc1ncccc1N 44657109 573922296 /nfs/dbraw/zinc/92/22/96/573922296.db2.gz BHRFHRQYKBNPMF-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN CC(=O)C[C@H]1Cc2c(O)cccc2O1 258182253 573922303 /nfs/dbraw/zinc/92/23/03/573922303.db2.gz MZLPKYDRABNCTJ-QMMMGPOBSA-N 0 0 192.214 1.675 10 0 ADAERN [NH3+][C@H](/C=C/C(=O)[O-])C1CCCC1 259581787 573922327 /nfs/dbraw/zinc/92/23/27/573922327.db2.gz WDAUWNFVEDIGCX-HQZHTGGTSA-N 0 0 169.224 1.145 10 0 ADAERN CCOC(=O)[C@]1(F)CCCC[C@H]1O 145076868 573922334 /nfs/dbraw/zinc/92/23/34/573922334.db2.gz NDKDIEOYJKYBSI-APPZFPTMSA-N 0 0 190.214 1.193 10 0 ADAERN OC[C@H]1CCN2CCC[C@H]2C1(F)F 257900589 573922368 /nfs/dbraw/zinc/92/23/68/573922368.db2.gz YSVUCLRDPISETO-SFYZADRCSA-N 0 0 191.221 1.098 10 0 ADAERN CCCC(Cl)(Cl)[C@H](O)OC 238186001 573922377 /nfs/dbraw/zinc/92/23/77/573922377.db2.gz HHYXBCZCYNSOJO-RXMQYKEDSA-N 0 0 187.066 1.925 10 0 ADAERN Cc1cc(=O)[nH]c(C2CCC2)n1 84888058 573922385 /nfs/dbraw/zinc/92/23/85/573922385.db2.gz ZXHVBUINWAXHDT-UHFFFAOYSA-N 0 0 164.208 1.346 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@@H]1C1CCCCC1 257900211 573922386 /nfs/dbraw/zinc/92/23/86/573922386.db2.gz OTNYROREVOHREU-DTWKUNHWSA-N 0 0 183.251 1.239 10 0 ADAERN CC(C)Cn1[nH]c(=O)c2c1CCOC2 257900374 573922392 /nfs/dbraw/zinc/92/23/92/573922392.db2.gz YQYNIRAYNCTUJW-UHFFFAOYSA-N 0 0 196.250 1.317 10 0 ADAERN OC[C@@H]1CCN2CCC[C@@H]2C1(F)F 257900587 573922420 /nfs/dbraw/zinc/92/24/20/573922420.db2.gz YSVUCLRDPISETO-JGVFFNPUSA-N 0 0 191.221 1.098 10 0 ADAERN CC[C@H](NC)C(=O)OCC(C)C 44626898 573922458 /nfs/dbraw/zinc/92/24/58/573922458.db2.gz ISCUQAGOOSKVDA-QMMMGPOBSA-N 0 0 173.256 1.184 10 0 ADAERN C[C@H](NC=O)c1cccc(F)c1 84889006 573922484 /nfs/dbraw/zinc/92/24/84/573922484.db2.gz MQSCGQYYFPMOTH-ZETCQYMHSA-N 0 0 167.183 1.633 10 0 ADAERN O=CNc1cccc(OC(F)F)c1 84889019 573922497 /nfs/dbraw/zinc/92/24/97/573922497.db2.gz QPZCAINEKZEGIW-UHFFFAOYSA-N 0 0 187.145 1.856 10 0 ADAERN O[C@@H]1CCCn2c1cnc2C1CC1 258457841 573922528 /nfs/dbraw/zinc/92/25/28/573922528.db2.gz PTUNZXCUFHPALF-SECBINFHSA-N 0 0 178.235 1.588 10 0 ADAERN C[C@H]1CN(C)c2c(CCO)cccc21 257900201 573922529 /nfs/dbraw/zinc/92/25/29/573922529.db2.gz AMQKNQQSUADJGP-VIFPVBQESA-N 0 0 191.274 1.775 10 0 ADAERN Cn1nccc1C(=O)C1CCC1 84888080 573922537 /nfs/dbraw/zinc/92/25/37/573922537.db2.gz JJHDCIYKDBYNPX-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN [NH3+][C@@H](C[C@H](F)C1CCCC1)C(=O)[O-] 257900204 573922569 /nfs/dbraw/zinc/92/25/69/573922569.db2.gz YOTJENGKZRTMCY-YUMQZZPRSA-N 0 0 189.230 1.317 10 0 ADAERN CCCNCC(=O)OC1CCCC1 44626787 573922618 /nfs/dbraw/zinc/92/26/18/573922618.db2.gz BCWXFELRLDQUBW-UHFFFAOYSA-N 0 0 185.267 1.472 10 0 ADAERN OC[C@]1(O)CCc2c(F)cccc2C1 257901409 573922619 /nfs/dbraw/zinc/92/26/19/573922619.db2.gz YTWJTYNHBKXEBE-NSHDSACASA-N 0 0 196.221 1.038 10 0 ADAERN CCCCCOC(=O)[C@@H](CC)NC 44627139 573922650 /nfs/dbraw/zinc/92/26/50/573922650.db2.gz YWJBKIXTGUASGD-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN CC[C@H](CO)[C@H](CO)c1ccccc1 308463856 573922664 /nfs/dbraw/zinc/92/26/64/573922664.db2.gz DVYBIVLSKIVUPZ-PWSUYJOCSA-N 0 0 194.274 1.781 10 0 ADAERN C[C@@H](NC=O)c1cccc(F)c1 84889007 573922670 /nfs/dbraw/zinc/92/26/70/573922670.db2.gz MQSCGQYYFPMOTH-SSDOTTSWSA-N 0 0 167.183 1.633 10 0 ADAERN CC(C)[N@@H+]1CCCCC[C@H]1C(=O)[O-] 80992075 573922686 /nfs/dbraw/zinc/92/26/86/573922686.db2.gz GCJUXIWBJPQKAV-VIFPVBQESA-N 0 0 185.267 1.724 10 0 ADAERN CCC(=O)[C@@H](C)[S@@](=O)CC 84864297 573922703 /nfs/dbraw/zinc/92/27/03/573922703.db2.gz KWKHWUMMXFQZKV-LHLIQPBNSA-N 0 0 162.254 1.123 10 0 ADAERN CC[C@@H](CO)[C@H](CO)c1ccccc1 308463854 573922705 /nfs/dbraw/zinc/92/27/05/573922705.db2.gz DVYBIVLSKIVUPZ-JQWIXIFHSA-N 0 0 194.274 1.781 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H](C)[C@H]1C 84876947 573922710 /nfs/dbraw/zinc/92/27/10/573922710.db2.gz IRSVBWDQOMRUIT-LKEWCRSYSA-N 0 0 155.241 1.557 10 0 ADAERN COC(=O)[C@@](C)(NC1CC1)C1CCC1 393597943 573922729 /nfs/dbraw/zinc/92/27/29/573922729.db2.gz LQLJKJRRKCLDOT-NSHDSACASA-N 0 0 197.278 1.470 10 0 ADAERN CCCNCc1nc(C(C)(C)C)no1 44625908 573922740 /nfs/dbraw/zinc/92/27/40/573922740.db2.gz QSVOYQCJGBPFOD-UHFFFAOYSA-N 0 0 197.282 1.867 10 0 ADAERN CC(C)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] 80992074 573922744 /nfs/dbraw/zinc/92/27/44/573922744.db2.gz GCJUXIWBJPQKAV-SECBINFHSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H](CCC1=CCC[N@H+](C)C1)C(=O)[O-] 257900545 573922748 /nfs/dbraw/zinc/92/27/48/573922748.db2.gz ANYAATPDEDNNOA-SECBINFHSA-N 0 0 197.278 1.749 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@H]1CCCCO1 257900164 573922768 /nfs/dbraw/zinc/92/27/68/573922768.db2.gz OTIOVSKRRYYMJY-YIZRAAEISA-N 0 0 176.231 1.665 10 0 ADAERN O=Cc1cccc([C@@]2(O)CCOC2)c1 257900300 573922774 /nfs/dbraw/zinc/92/27/74/573922774.db2.gz YQACSZPXDKKTFS-LLVKDONJSA-N 0 0 192.214 1.107 10 0 ADAERN CCC(CC)[C@H](NN)[C@@H]1C[C@H]1C 253007822 573922776 /nfs/dbraw/zinc/92/27/76/573922776.db2.gz OZQKFHINIBRQMI-QNSHHTMESA-N 0 0 170.300 1.911 10 0 ADAERN O[C@@H](c1cccnc1)C1CCC1 84888145 573922797 /nfs/dbraw/zinc/92/27/97/573922797.db2.gz LSJLJXZKBVEHFC-SNVBAGLBSA-N 0 0 163.220 1.915 10 0 ADAERN Nc1c(C(=O)[O-])c[nH+]c2c1CCCC2 257900570 573922807 /nfs/dbraw/zinc/92/28/07/573922807.db2.gz YSSYFRRJPFZLEZ-UHFFFAOYSA-N 0 0 192.218 1.241 10 0 ADAERN CC(C)[C@](C)(CO)Cc1cnn(C)n1 308463597 573922831 /nfs/dbraw/zinc/92/28/31/573922831.db2.gz FIJJGHFDNQIRKY-JTQLQIEISA-N 0 0 197.282 1.012 10 0 ADAERN OC[C@H]1CCN2CCC[C@@H]2C1(F)F 257900584 573922839 /nfs/dbraw/zinc/92/28/39/573922839.db2.gz YSVUCLRDPISETO-HTQZYQBOSA-N 0 0 191.221 1.098 10 0 ADAERN CC[C@@H](C)[C@H](C)C(=O)C(=O)OC 716413551 573922868 /nfs/dbraw/zinc/92/28/68/573922868.db2.gz KRNFRPHRSWYTKI-RQJHMYQMSA-N 0 0 172.224 1.411 10 0 ADAERN CC(C)N1CC2(CCC2)NC1=O 238187943 573922871 /nfs/dbraw/zinc/92/28/71/573922871.db2.gz OSVQLWAKXQPHHT-UHFFFAOYSA-N 0 0 168.240 1.343 10 0 ADAERN CCCOC[C@H](O)c1cccnc1 44653281 573922876 /nfs/dbraw/zinc/92/28/76/573922876.db2.gz SSUIBPIVLLKLDS-JTQLQIEISA-N 0 0 181.235 1.542 10 0 ADAERN CCC(=O)[C@H](C)[S@@](=O)CC 84864298 573922885 /nfs/dbraw/zinc/92/28/85/573922885.db2.gz KWKHWUMMXFQZKV-QUBYGPBYSA-N 0 0 162.254 1.123 10 0 ADAERN CCOc1ncc(Br)o1 257900522 573922911 /nfs/dbraw/zinc/92/29/11/573922911.db2.gz OBLNNTPBKQGDAS-UHFFFAOYSA-N 0 0 192.012 1.836 10 0 ADAERN CCC(CC)[C@@H]1CNC(=S)N1 238187646 573926408 /nfs/dbraw/zinc/92/64/08/573926408.db2.gz UFSYMYLPWHBTJB-ZETCQYMHSA-N 0 0 172.297 1.269 10 0 ADAERN CC(C)Sc1cc(C(N)=O)ccn1 238187519 573926418 /nfs/dbraw/zinc/92/64/18/573926418.db2.gz KAQZCQCAKTVLDC-UHFFFAOYSA-N 0 0 196.275 1.681 10 0 ADAERN COC[NH2+]CCc1cccc(OC)c1 259010334 573926419 /nfs/dbraw/zinc/92/64/19/573926419.db2.gz GBSDMUKRDWMKJO-UHFFFAOYSA-N 0 0 195.262 1.431 10 0 ADAERN CCOC(=O)c1cnc(C(C)C)n1C 259240281 573926420 /nfs/dbraw/zinc/92/64/20/573926420.db2.gz CVLBNVUXRSOPDP-UHFFFAOYSA-N 0 0 196.250 1.720 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)CC(F)(F)F 308464309 573926432 /nfs/dbraw/zinc/92/64/32/573926432.db2.gz IQABZFMSQMPEEI-NTSWFWBYSA-N 0 0 195.184 1.854 10 0 ADAERN C[C@@H]1CN(C)c2c(CCO)cccc21 257900195 573923462 /nfs/dbraw/zinc/92/34/62/573923462.db2.gz AMQKNQQSUADJGP-SECBINFHSA-N 0 0 191.274 1.775 10 0 ADAERN C[C@@H]1COc2c(CCO)cccc21 258182435 573923471 /nfs/dbraw/zinc/92/34/71/573923471.db2.gz STBXUEDGAGUDOU-MRVPVSSYSA-N 0 0 178.231 1.717 10 0 ADAERN CC(=O)[C@@]12CC[C@@H]1C(C)(C)N=N2 238189118 573923473 /nfs/dbraw/zinc/92/34/73/573923473.db2.gz VZTVKMBERNMZRJ-APPZFPTMSA-N 0 0 166.224 1.969 10 0 ADAERN CCC(=O)Nc1ccc(CO)cc1 84844337 573923532 /nfs/dbraw/zinc/92/35/32/573923532.db2.gz OJKRJJMLENZFSU-UHFFFAOYSA-N 0 0 179.219 1.527 10 0 ADAERN CC(=O)[C@@]12CCC[C@H]1CN=N2 238187268 573923562 /nfs/dbraw/zinc/92/35/62/573923562.db2.gz STHGBPBJNGYFMJ-YUMQZZPRSA-N 0 0 152.197 1.580 10 0 ADAERN CC(=O)N[C@@H](CO)c1ccc(C)cc1 259238793 573923564 /nfs/dbraw/zinc/92/35/64/573923564.db2.gz KBHQXDPCVWKSRU-NSHDSACASA-N 0 0 193.246 1.165 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1CCCCCN1 80989706 573923604 /nfs/dbraw/zinc/92/36/04/573923604.db2.gz BJYRCNMUNXPDKL-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN CC(C)[C@H]1[C@H](O)CC12CC2 238187191 573923605 /nfs/dbraw/zinc/92/36/05/573923605.db2.gz KISFBFPDVNYANH-SFYZADRCSA-N 0 0 140.226 1.803 10 0 ADAERN CCC(CC)[C@@](C)([NH3+])C(=O)[O-] 238188016 573923620 /nfs/dbraw/zinc/92/36/20/573923620.db2.gz XFLIUNKDZMRNPV-MRVPVSSYSA-N 0 0 159.229 1.225 10 0 ADAERN CC1(C)C=C(C(N)=O)C(C)(C)C1 238187200 573923627 /nfs/dbraw/zinc/92/36/27/573923627.db2.gz JWHDOQSSFUHQDW-UHFFFAOYSA-N 0 0 167.252 1.854 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@H]1C1CCCCC1 257900218 573923643 /nfs/dbraw/zinc/92/36/43/573923643.db2.gz OTNYROREVOHREU-IUCAKERBSA-N 0 0 183.251 1.239 10 0 ADAERN C[C@H]1CN=C(Cl)S1 145097870 573923679 /nfs/dbraw/zinc/92/36/79/573923679.db2.gz PTOAWAAPKXOFQA-VKHMYHEASA-N 0 0 135.619 1.717 10 0 ADAERN CC(C)OC(=O)c1ncsc1N 257900767 573923687 /nfs/dbraw/zinc/92/36/87/573923687.db2.gz KNWMQCLCWXSHQS-UHFFFAOYSA-N 0 0 186.236 1.291 10 0 ADAERN CC(C)[C@H]1CC2(CC2)[C@H]1O 238188134 573923709 /nfs/dbraw/zinc/92/37/09/573923709.db2.gz ITLYAWJFNUYIJP-SFYZADRCSA-N 0 0 140.226 1.803 10 0 ADAERN O=Cc1cccc([C@]2(O)CCOC2)c1 257900304 573923725 /nfs/dbraw/zinc/92/37/25/573923725.db2.gz YQACSZPXDKKTFS-NSHDSACASA-N 0 0 192.214 1.107 10 0 ADAERN Cc1[nH]nc2c(F)cc(C=O)cc12 259584732 573923741 /nfs/dbraw/zinc/92/37/41/573923741.db2.gz XUKJGVQOITYTDS-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN CCN1C[C@@H](c2cccs2)NC1=O 259239583 573923757 /nfs/dbraw/zinc/92/37/57/573923757.db2.gz CVYYYSJZLWDIBF-ZETCQYMHSA-N 0 0 196.275 1.834 10 0 ADAERN CCn1cc([C@@H]2CCC(=O)[C@H]2C)cn1 84870063 573923759 /nfs/dbraw/zinc/92/37/59/573923759.db2.gz NKIPDGRGYLYYMF-WCBMZHEXSA-N 0 0 192.262 1.986 10 0 ADAERN COCC[C@@H](C)C(=O)N(C)C1CC1 393571608 573923765 /nfs/dbraw/zinc/92/37/65/573923765.db2.gz YYUPTAIGQXFMIO-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN CC[C@@H](NC)C(=O)OC1CCCC1 44626791 573923767 /nfs/dbraw/zinc/92/37/67/573923767.db2.gz PXZWMSQCAAHNSY-SECBINFHSA-N 0 0 185.267 1.470 10 0 ADAERN CONC1C[C@H](C)C[C@@H](C)C1 84882807 573923804 /nfs/dbraw/zinc/92/38/04/573923804.db2.gz XDMKEYWWASITIL-HTQZYQBOSA-N 0 0 157.257 1.962 10 0 ADAERN CNOC/C=C/C(C)C 258520818 573923813 /nfs/dbraw/zinc/92/38/13/573923813.db2.gz GEPADJRZEHWMOM-SNAWJCMRSA-N 0 0 129.203 1.350 10 0 ADAERN COc1cc(C)ccc1NC=O 84889033 573923814 /nfs/dbraw/zinc/92/38/14/573923814.db2.gz NQKOEOLFQWIGGB-UHFFFAOYSA-N 0 0 165.192 1.572 10 0 ADAERN CCC[C@@H](CC)N1CNC2(CC2)C1=O 123081643 573923817 /nfs/dbraw/zinc/92/38/17/573923817.db2.gz PHJYEJIAHLPHIJ-SECBINFHSA-N 0 0 196.294 1.487 10 0 ADAERN CC[C@@H](NC)C(=O)OC1CCCCC1 44626783 573923822 /nfs/dbraw/zinc/92/38/22/573923822.db2.gz SSJVRUQSDBIFIL-SNVBAGLBSA-N 0 0 199.294 1.860 10 0 ADAERN CC1=NNC(=O)[C@H]1c1cccc(C)c1 103376713 573923828 /nfs/dbraw/zinc/92/38/28/573923828.db2.gz HGAUJBYXWLGCTR-SNVBAGLBSA-N 0 0 188.230 1.584 10 0 ADAERN CCCOC[C@@H](O)c1cccnc1 44653284 573923838 /nfs/dbraw/zinc/92/38/38/573923838.db2.gz SSUIBPIVLLKLDS-SNVBAGLBSA-N 0 0 181.235 1.542 10 0 ADAERN CC(C)C(=O)CCC1OCCO1 238188892 573923855 /nfs/dbraw/zinc/92/38/55/573923855.db2.gz ARNQBZWKXHPUGJ-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN CCCCCOC(=O)CNCC 44627135 573923887 /nfs/dbraw/zinc/92/38/87/573923887.db2.gz MNFVBXFURHIUHU-UHFFFAOYSA-N 0 0 173.256 1.329 10 0 ADAERN CC(C)(O)CCCCCCO 80927220 573923945 /nfs/dbraw/zinc/92/39/45/573923945.db2.gz WYJGGEDPCHKILK-UHFFFAOYSA-N 0 0 160.257 1.700 10 0 ADAERN CC(C)[C@H]1CC2(CC2)[C@@H]1O 238188121 573923949 /nfs/dbraw/zinc/92/39/49/573923949.db2.gz ITLYAWJFNUYIJP-HTQZYQBOSA-N 0 0 140.226 1.803 10 0 ADAERN [NH3+][C@@H](CCCC(=O)[O-])C1CCCC1 259583340 573923958 /nfs/dbraw/zinc/92/39/58/573923958.db2.gz ZHYMEFHFCAJCNN-VIFPVBQESA-N 0 0 185.267 1.759 10 0 ADAERN CC1=NN(C(N)=O)[C@H]2CCCC[C@@H]12 238188636 573923967 /nfs/dbraw/zinc/92/39/67/573923967.db2.gz LPBCDWGVJXLCLE-YUMQZZPRSA-N 0 0 181.239 1.315 10 0 ADAERN Cc1cc(O)c(SC(C)C)c(=O)[nH]1 238187461 573923976 /nfs/dbraw/zinc/92/39/76/573923976.db2.gz WEWVMCRMZMOTFH-UHFFFAOYSA-N 0 0 199.275 1.889 10 0 ADAERN CC(=O)C(=O)Nc1cccs1 259011540 573923977 /nfs/dbraw/zinc/92/39/77/573923977.db2.gz SAGIJOYLOPGDNV-UHFFFAOYSA-N 0 0 169.205 1.276 10 0 ADAERN CCCNCC(=O)OCCC(C)C 44626928 573923979 /nfs/dbraw/zinc/92/39/79/573923979.db2.gz GWUYCCCHYPBKBZ-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN COC(=O)CCOc1ccccc1O 258181921 573923980 /nfs/dbraw/zinc/92/39/80/573923980.db2.gz OPASUHKSNRWEBR-UHFFFAOYSA-N 0 0 196.202 1.334 10 0 ADAERN CC(C)[C@@](C)(CO)Cc1cnn(C)n1 308463598 573924000 /nfs/dbraw/zinc/92/40/00/573924000.db2.gz FIJJGHFDNQIRKY-SNVBAGLBSA-N 0 0 197.282 1.012 10 0 ADAERN COc1nc(C2CCOCC2)c[nH]1 259009959 573924001 /nfs/dbraw/zinc/92/40/01/573924001.db2.gz CXTJIPWTOQNDBB-UHFFFAOYSA-N 0 0 182.223 1.312 10 0 ADAERN CCNC(=O)Nc1ccc(C)c(O)c1 84844494 573924031 /nfs/dbraw/zinc/92/40/31/573924031.db2.gz WZBIDWHBLRGTPX-UHFFFAOYSA-N 0 0 194.234 1.842 10 0 ADAERN C=CC1=C[C@H](O)C(C)(C)C1 238187901 573924063 /nfs/dbraw/zinc/92/40/63/573924063.db2.gz MNULQNOXYHTKKI-QMMMGPOBSA-N 0 0 138.210 1.890 10 0 ADAERN C[C@@H](CCC1=CCC[N@H+](C)C1)C(=O)[O-] 257900550 573924088 /nfs/dbraw/zinc/92/40/88/573924088.db2.gz ANYAATPDEDNNOA-VIFPVBQESA-N 0 0 197.278 1.749 10 0 ADAERN CC(=O)[C@]12CCC(=O)C[C@H]1CC2 238189159 573924093 /nfs/dbraw/zinc/92/40/93/573924093.db2.gz NUOPAUGUYUPNLF-SCZZXKLOSA-N 0 0 166.220 1.725 10 0 ADAERN CC1=NC2(CCCCC2)NC1=O 238187708 573924121 /nfs/dbraw/zinc/92/41/21/573924121.db2.gz CSVUDWFRIYLDEB-UHFFFAOYSA-N 0 0 166.224 1.238 10 0 ADAERN CCCNCC(=O)O[C@@H](C)CC 44626737 573924129 /nfs/dbraw/zinc/92/41/29/573924129.db2.gz GUCSSIJYCDZGOL-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN C=C1C=C([C@H](O)CCC)C(=O)O1 103299591 573924147 /nfs/dbraw/zinc/92/41/47/573924147.db2.gz HIDWFLAHHFBYRO-MRVPVSSYSA-N 0 0 168.192 1.144 10 0 ADAERN CSCc1nc(C)cn1C 257900086 573924148 /nfs/dbraw/zinc/92/41/48/573924148.db2.gz NVZJHIBMSJCFLY-UHFFFAOYSA-N 0 0 156.254 1.592 10 0 ADAERN CCCCCC1(CO)OCCO1 238188848 573924154 /nfs/dbraw/zinc/92/41/54/573924154.db2.gz ONOZIKMFVKYKIR-UHFFFAOYSA-N 0 0 174.240 1.302 10 0 ADAERN CCOC(=O)c1nc(C(C)(C)C)c[nH]1 259011441 573924162 /nfs/dbraw/zinc/92/41/62/573924162.db2.gz DFLPJICMBAGIFH-UHFFFAOYSA-N 0 0 196.250 1.884 10 0 ADAERN CC(C)(C)CCN1NCCCC1=O 257901442 573926453 /nfs/dbraw/zinc/92/64/53/573926453.db2.gz OYTLPXFWXBOVSG-UHFFFAOYSA-N 0 0 184.283 1.550 10 0 ADAERN Nc1nonc1-c1ccc(F)cc1F 80963922 573924191 /nfs/dbraw/zinc/92/41/91/573924191.db2.gz NCVBGBNIMUUUEP-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN CC1=NC(=O)[C@@H](c2ccccc2)N1 238187325 573924208 /nfs/dbraw/zinc/92/42/08/573924208.db2.gz PXDCSOPQAZUXQP-SECBINFHSA-N 0 0 174.203 1.276 10 0 ADAERN O[C@H]1CCCn2c1cnc2C1CC1 258457842 573924236 /nfs/dbraw/zinc/92/42/36/573924236.db2.gz PTUNZXCUFHPALF-VIFPVBQESA-N 0 0 178.235 1.588 10 0 ADAERN CCCOC[C@@H](O)C1CCCC1 44653206 573924267 /nfs/dbraw/zinc/92/42/67/573924267.db2.gz IGMCENCHPNZBFA-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN C[N@@H+](C1CCC1)[C@@H](C(=O)[O-])C1CC1 127580437 573924268 /nfs/dbraw/zinc/92/42/68/573924268.db2.gz OBPUDKLPWMLCAN-SECBINFHSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H]1COc2c(CCO)cccc21 258182439 573924269 /nfs/dbraw/zinc/92/42/69/573924269.db2.gz STBXUEDGAGUDOU-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN CC[C@@H](C)OC(=O)[C@@H](CC)NC 44626741 573924275 /nfs/dbraw/zinc/92/42/75/573924275.db2.gz VRJIHFISPADBFP-HTQZYQBOSA-N 0 0 173.256 1.326 10 0 ADAERN CC(C)C[C@H](NN)[C@@H]1OCC[C@H]1C 253007686 573924285 /nfs/dbraw/zinc/92/42/85/573924285.db2.gz OUUXROLMCZTWRT-KXUCPTDWSA-N 0 0 186.299 1.289 10 0 ADAERN COC(=O)C1(Cc2ccc[nH]2)CC1 259239440 573924289 /nfs/dbraw/zinc/92/42/89/573924289.db2.gz VOTODCCVSJUUCX-UHFFFAOYSA-N 0 0 179.219 1.510 10 0 ADAERN COC[C@H]1CNc2ccc(F)cc2O1 87504864 573930606 /nfs/dbraw/zinc/93/06/06/573930606.db2.gz XZTJHNPVFBBSOG-MRVPVSSYSA-N 0 0 197.209 1.645 10 0 ADAERN CC(C)[C@](O)(C1=CCCC1)[C@H](C)O 238199419 573930618 /nfs/dbraw/zinc/93/06/18/573930618.db2.gz NEUDNSKLRFLHIR-GXSJLCMTSA-N 0 0 184.279 1.865 10 0 ADAERN CC(C)[C@H](C)CNC(N)=S 81050044 573930627 /nfs/dbraw/zinc/93/06/27/573930627.db2.gz PPEXYEXDMMCLTC-ZCFIWIBFSA-N 0 0 160.286 1.112 10 0 ADAERN CC[C@H](C)[NH2+]C[C@H](C)CCC(=O)[O-] 131739638 573930644 /nfs/dbraw/zinc/93/06/44/573930644.db2.gz XTXDSSHJKVIKEG-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CC1=C(C)O[C@@H](O)CC1 238199644 573930646 /nfs/dbraw/zinc/93/06/46/573930646.db2.gz LMCFBCKGGGPVLZ-SSDOTTSWSA-N 0 0 128.171 1.409 10 0 ADAERN C[C@H]1CC=CC[C@H]1C(=O)OCCO 215020739 573930683 /nfs/dbraw/zinc/93/06/83/573930683.db2.gz LVDBZHUYSFXLIN-DTWKUNHWSA-N 0 0 184.235 1.124 10 0 ADAERN CC[C@@H](C)OC(=O)[C@]1(C)CCCCN1 127586544 573929930 /nfs/dbraw/zinc/92/99/30/573929930.db2.gz VBEQQUJVFZMGSF-KOLCDFICSA-N 0 0 199.294 1.860 10 0 ADAERN 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259013109 573930348 /nfs/dbraw/zinc/93/03/48/573930348.db2.gz ONTFWMRMSFXRAO-UHFFFAOYSA-N 0 0 186.205 1.911 10 0 ADAERN NC(=S)Cc1ccc(NC=O)cc1 84889101 573930357 /nfs/dbraw/zinc/93/03/57/573930357.db2.gz IYDVMZFGDLIXRS-UHFFFAOYSA-N 0 0 194.259 1.084 10 0 ADAERN COC[C@@](O)(C(C)C)C1CC1 87496599 573930374 /nfs/dbraw/zinc/93/03/74/573930374.db2.gz LFRYUGZNXJUUCV-SECBINFHSA-N 0 0 158.241 1.430 10 0 ADAERN CCC(C)(CC)C(=O)NC(N)=O 238198862 573930391 /nfs/dbraw/zinc/93/03/91/573930391.db2.gz IQYXEOQPWQDKFY-UHFFFAOYSA-N 0 0 172.228 1.008 10 0 ADAERN CCN[C@]1(C(F)(F)F)CO[C@H](C)C1 401525857 573930396 /nfs/dbraw/zinc/93/03/96/573930396.db2.gz TYHVPXZOBXFUNO-RQJHMYQMSA-N 0 0 197.200 1.706 10 0 ADAERN CC(C)[C@@H](C)CN1C(=O)C=CC1=O 81068127 573930415 /nfs/dbraw/zinc/93/04/15/573930415.db2.gz OINICZAWKYQHPP-QMMMGPOBSA-N 0 0 181.235 1.204 10 0 ADAERN CNc1cncc(NC[C@H](C)OC)c1 224740554 573930432 /nfs/dbraw/zinc/93/04/32/573930432.db2.gz ARXWURDYAIUQMB-QMMMGPOBSA-N 0 0 195.266 1.570 10 0 ADAERN 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573932016 /nfs/dbraw/zinc/93/20/16/573932016.db2.gz LTWZSEGRWKMYCR-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1ccc([C@]2(O)CCSC2)cc1 257909435 573932021 /nfs/dbraw/zinc/93/20/21/573932021.db2.gz ZYWNPIGRWSZTMG-JTQLQIEISA-N 0 0 195.287 1.593 10 0 ADAERN CCC(=O)NCc1cnoc1C 585363675 573932026 /nfs/dbraw/zinc/93/20/26/573932026.db2.gz CVYYBOPLXRTDAM-UHFFFAOYSA-N 0 0 168.196 1.009 10 0 ADAERN Cc1cc(OC2CC2)nc(Cl)n1 642825206 573932041 /nfs/dbraw/zinc/93/20/41/573932041.db2.gz RLFZCBINMNTZHE-UHFFFAOYSA-N 0 0 184.626 1.708 10 0 ADAERN CC1(C)C=C2COCC[C@H]2C1=O 238197101 573932045 /nfs/dbraw/zinc/93/20/45/573932045.db2.gz ODUOZVUUALAFJV-MRVPVSSYSA-N 0 0 166.220 1.558 10 0 ADAERN COC[C@]1(C2CC2)CC(=O)CCO1 87499287 573932057 /nfs/dbraw/zinc/93/20/57/573932057.db2.gz DPWIYMAHIFEQIU-JTQLQIEISA-N 0 0 184.235 1.161 10 0 ADAERN Cc1cc(=O)c2cc(CO)ccc2[nH]1 81165697 573932061 /nfs/dbraw/zinc/93/20/61/573932061.db2.gz LUEGCMNHWCMVLB-UHFFFAOYSA-N 0 0 189.214 1.329 10 0 ADAERN Nc1cccc2oc(C=O)nc12 103440367 573932064 /nfs/dbraw/zinc/93/20/64/573932064.db2.gz IRDMDHYZVGOZHL-UHFFFAOYSA-N 0 0 162.148 1.223 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]([NH3+])C1CCCC1 259242820 573932081 /nfs/dbraw/zinc/93/20/81/573932081.db2.gz GBFCFWUCVROZEF-BDAKNGLRSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H](CCC(=O)[O-])C[NH+]1CC2(CC2)C1 131740773 573932131 /nfs/dbraw/zinc/93/21/31/573932131.db2.gz JFYJCVVUQINKIX-VIFPVBQESA-N 0 0 197.278 1.583 10 0 ADAERN CC1(C)C=C2COCC[C@@H]2C1=O 238197078 573932134 /nfs/dbraw/zinc/93/21/34/573932134.db2.gz ODUOZVUUALAFJV-QMMMGPOBSA-N 0 0 166.220 1.558 10 0 ADAERN CCCC(=O)C[N@H+](C)C1CCC1 127627456 573932167 /nfs/dbraw/zinc/93/21/67/573932167.db2.gz IYAYRRFUUWCTIV-UHFFFAOYSA-N 0 0 169.268 1.840 10 0 ADAERN CNc1ccc(O[C@@H](C)O)c(N)c1 81119475 573932168 /nfs/dbraw/zinc/93/21/68/573932168.db2.gz KJXVRKVGEWMCJE-LURJTMIESA-N 0 0 182.223 1.028 10 0 ADAERN Cc1ccc(C)c([C@@H](NN)N(C)C)c1 259242434 573932175 /nfs/dbraw/zinc/93/21/75/573932175.db2.gz RMXYIDYMPWNVKZ-NSHDSACASA-N 0 0 193.294 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308465760 573932497 /nfs/dbraw/zinc/93/24/97/573932497.db2.gz JAHWBQIOWMWKEZ-ZZGNMTITSA-N 0 0 183.251 1.198 10 0 ADAERN FCc1ncncc1Br 257905387 573932503 /nfs/dbraw/zinc/93/25/03/573932503.db2.gz ZKYHIMDIMAMOBF-UHFFFAOYSA-N 0 0 191.003 1.709 10 0 ADAERN CC[C@@H](C)[NH2+]C[C@H](C)CCC(=O)[O-] 131739409 573932514 /nfs/dbraw/zinc/93/25/14/573932514.db2.gz XTXDSSHJKVIKEG-RKDXNWHRSA-N 0 0 187.283 1.875 10 0 ADAERN COC[C@@]1(C(C)C)CC(=O)NC1(C)C 87501577 573932521 /nfs/dbraw/zinc/93/25/21/573932521.db2.gz NOKOOXFRJBKQOW-LLVKDONJSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)CCCN1CCCN(N)C1=O 127720240 573932543 /nfs/dbraw/zinc/93/25/43/573932543.db2.gz DKSQONPSBBFUCD-UHFFFAOYSA-N 0 0 199.298 1.424 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)ccc1CO 238197330 573932550 /nfs/dbraw/zinc/93/25/50/573932550.db2.gz QIEOBUWUKANGEB-NSHDSACASA-N 0 0 193.246 1.076 10 0 ADAERN C[C@@H](CCC(=O)[O-])C[NH+]1CCCC1 131736815 573932562 /nfs/dbraw/zinc/93/25/62/573932562.db2.gz GSEDSUYFYAYXRZ-VIFPVBQESA-N 0 0 185.267 1.583 10 0 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CCC[C@@H]([NH+](C)C)C1(C(=O)[O-])CC1 259586498 573933594 /nfs/dbraw/zinc/93/35/94/573933594.db2.gz PYHHIWMGNLZZNP-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CCCC1(C(C)C)C(=O)NC1=O 238196269 573933602 /nfs/dbraw/zinc/93/36/02/573933602.db2.gz RUTKLELJWDLMNJ-UHFFFAOYSA-N 0 0 169.224 1.085 10 0 ADAERN COC[C@H]1CNc2ccc(C)cc2O1 87504261 573933607 /nfs/dbraw/zinc/93/36/07/573933607.db2.gz KPOXOBUKZUXLJZ-SECBINFHSA-N 0 0 193.246 1.814 10 0 ADAERN Cc1cn(C)c(=S)[nH]1 81132075 573933617 /nfs/dbraw/zinc/93/36/17/573933617.db2.gz MANYILQBXPSNED-UHFFFAOYSA-N 0 0 128.200 1.391 10 0 ADAERN Nc1ccc([C@@]2(O)CCSC2)cc1 257909438 573933627 /nfs/dbraw/zinc/93/36/27/573933627.db2.gz ZYWNPIGRWSZTMG-SNVBAGLBSA-N 0 0 195.287 1.593 10 0 ADAERN Cc1cc(C(C)(C)C)nc(CO)n1 259243436 573933630 /nfs/dbraw/zinc/93/36/30/573933630.db2.gz JUJMINLYYSYVQT-UHFFFAOYSA-N 0 0 180.251 1.575 10 0 ADAERN CCC[N@@H+]1CCC/C(=C/C(=O)[O-])C1 259242178 573933641 /nfs/dbraw/zinc/93/36/41/573933641.db2.gz PXYHSVYCFFLIHY-CLFYSBASSA-N 0 0 183.251 1.503 10 0 ADAERN COc1ccc2c(c1)C[C@H]([C@@H](C)O)O2 257905257 573933674 /nfs/dbraw/zinc/93/36/74/573933674.db2.gz AXXXXKZZYCZDLR-RDDDGLTNSA-N 0 0 194.230 1.380 10 0 ADAERN CC(C)[C@@](C)(O)C(=O)NC(C)(C)C 238196102 573933695 /nfs/dbraw/zinc/93/36/95/573933695.db2.gz UVQIZJLKISLDII-SNVBAGLBSA-N 0 0 187.283 1.308 10 0 ADAERN CC(C)[C@@H](CO)C(=O)c1ccccn1 259242082 573933708 /nfs/dbraw/zinc/93/37/08/573933708.db2.gz VXFFPXXDCGCJSB-SECBINFHSA-N 0 0 193.246 1.529 10 0 ADAERN CCCCCCN1C(=O)CN[C@H]1CC 127630902 573933711 /nfs/dbraw/zinc/93/37/11/573933711.db2.gz DEDWUGGHHWHZAZ-SNVBAGLBSA-N 0 0 198.310 1.735 10 0 ADAERN Cc1ccc2c(c1)NC[C@H](CCO)C2 257905374 573933717 /nfs/dbraw/zinc/93/37/17/573933717.db2.gz ZKMSITGOSWHQMU-SNVBAGLBSA-N 0 0 191.274 1.962 10 0 ADAERN Cc1noc2cc(N)c(N)cc12 259584876 573933722 /nfs/dbraw/zinc/93/37/22/573933722.db2.gz XVOUKUMLSGOTAS-UHFFFAOYSA-N 0 0 163.180 1.301 10 0 ADAERN CCC(CC)OCn1ccnc1CO 308465375 573933725 /nfs/dbraw/zinc/93/37/25/573933725.db2.gz GZOCDMZLZFKKET-UHFFFAOYSA-N 0 0 198.266 1.538 10 0 ADAERN CC(C)C[C@H]([NH3+])C[C@@H](C)C(=O)[O-] 259585233 573933726 /nfs/dbraw/zinc/93/37/26/573933726.db2.gz ZKUJFDYKNBCEAI-SFYZADRCSA-N 0 0 173.256 1.471 10 0 ADAERN CCCN(C(=O)C(C)C)[C@@H]1CCOC1 308465540 573933731 /nfs/dbraw/zinc/93/37/31/573933731.db2.gz GDXDJUXCXSEEFJ-SNVBAGLBSA-N 0 0 199.294 1.670 10 0 ADAERN OCCC/C=C/Cl 81146297 573933735 /nfs/dbraw/zinc/93/37/35/573933735.db2.gz DOEWIRNVBKXBBM-DUXPYHPUSA-N 0 0 120.579 1.511 10 0 ADAERN COC[C@@]1(C2CC2)CC(=O)NC1(C)C 87501584 573933738 /nfs/dbraw/zinc/93/37/38/573933738.db2.gz ANUQTPCJTLHRSQ-LLVKDONJSA-N 0 0 197.278 1.328 10 0 ADAERN Oc1ccccc1[C@@]1(O)CCSC1 257905355 573933742 /nfs/dbraw/zinc/93/37/42/573933742.db2.gz ZJWATMQBSVKXHW-SNVBAGLBSA-N 0 0 196.271 1.717 10 0 ADAERN CC[C@@H](C)[N@@H+]1CC[C@@H](C(=O)[O-])C1(C)C 259243245 573933754 /nfs/dbraw/zinc/93/37/54/573933754.db2.gz DXFONAQRYDBJNJ-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN S=C1N=NC(c2cccnc2)=N1 103565194 573933756 /nfs/dbraw/zinc/93/37/56/573933756.db2.gz VDRFAORKUCQNOB-UHFFFAOYSA-N 0 0 176.204 1.579 10 0 ADAERN CC(C)[C@@](F)(Cl)C(N)=O 238197431 573936465 /nfs/dbraw/zinc/93/64/65/573936465.db2.gz SHRSGBMGQQOZHI-YFKPBYRVSA-N 0 0 153.584 1.032 10 0 ADAERN C[C@H](CO)Cn1cccc1 81126050 573936477 /nfs/dbraw/zinc/93/64/77/573936477.db2.gz LKTNMFHUWCIRQN-QMMMGPOBSA-N 0 0 139.198 1.117 10 0 ADAERN CNC1(C(=O)O[C@@H](C)C(C)C)CCC1 308466192 573936491 /nfs/dbraw/zinc/93/64/91/573936491.db2.gz GKTANPLZORSGPM-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN Cc1ccncc1-c1cc(=O)[nH]cn1 235816295 573936493 /nfs/dbraw/zinc/93/64/93/573936493.db2.gz QJNZLLQKDOLNDG-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CCN1CC(=O)Nc2c(N)cccc21 259244289 573936514 /nfs/dbraw/zinc/93/65/14/573936514.db2.gz NJSBBFQEQUUCDX-UHFFFAOYSA-N 0 0 191.234 1.047 10 0 ADAERN Cc1nc(OC(C)C)ccc1N 123127263 573936551 /nfs/dbraw/zinc/93/65/51/573936551.db2.gz LZOAYQYICCACAO-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN Cc1cccn(C[C@@H](O)C(C)C)c1=O 87539187 573936555 /nfs/dbraw/zinc/93/65/55/573936555.db2.gz VDSHALDPJIPJJE-SNVBAGLBSA-N 0 0 195.262 1.174 10 0 ADAERN Cc1nc2cc(C(N)N)ccc2o1 259585278 573936563 /nfs/dbraw/zinc/93/65/63/573936563.db2.gz ZLGJSNMIWALXAJ-UHFFFAOYSA-N 0 0 177.207 1.052 10 0 ADAERN CC(C)S(=O)(=O)NCC[C@@H](C)F 393501662 573937262 /nfs/dbraw/zinc/93/72/62/573937262.db2.gz ZYKLAOJINMSFBT-SSDOTTSWSA-N 0 0 197.275 1.062 10 0 ADAERN Cc1sccc1[C@H](O)C(C)(C)O 235820609 573937272 /nfs/dbraw/zinc/93/72/72/573937272.db2.gz XLKLKNSYKJPITM-QMMMGPOBSA-N 0 0 186.276 1.861 10 0 ADAERN CCC[C@H]([NH+](C)C)C1(C(=O)[O-])CC1 259586503 573936604 /nfs/dbraw/zinc/93/66/04/573936604.db2.gz PYHHIWMGNLZZNP-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1cc(C)n(C[C@H](O)C(C)C)n1 87538961 573937275 /nfs/dbraw/zinc/93/72/75/573937275.db2.gz TUXLYVAEUHYEHJ-JTQLQIEISA-N 0 0 182.267 1.517 10 0 ADAERN CC1(C)CCC=C(CO)[C@H]1CCO 238197773 573937276 /nfs/dbraw/zinc/93/72/76/573937276.db2.gz HGWDRFCINQVNDE-SNVBAGLBSA-N 0 0 184.279 1.724 10 0 ADAERN C[C@@H](O)CSc1ncns1 87514961 573936651 /nfs/dbraw/zinc/93/66/51/573936651.db2.gz RGVPJBLAUXXNQE-SCSAIBSYSA-N 0 0 176.266 1.011 10 0 ADAERN CC(=O)[C@H](C)Sc1ncns1 87515723 573936655 /nfs/dbraw/zinc/93/66/55/573936655.db2.gz OWYRJVXWYFLYMS-YFKPBYRVSA-N 0 0 188.277 1.608 10 0 ADAERN CC1(C)C2CCC(CC2)[C@@H]1NC(N)=O 238196440 573936665 /nfs/dbraw/zinc/93/66/65/573936665.db2.gz LSTHQIYIOQQILU-HACHORDNSA-N 0 0 196.294 1.870 10 0 ADAERN CC(C)(O)c1cc2oncc2cc1N 238196529 573936680 /nfs/dbraw/zinc/93/66/80/573936680.db2.gz KCTLOKNABNTIEN-UHFFFAOYSA-N 0 0 192.218 1.637 10 0 ADAERN Cc1cnn(C)c1CCC(=O)C1CC1 308465934 573936692 /nfs/dbraw/zinc/93/66/92/573936692.db2.gz HWIWIGOBCQOKEY-UHFFFAOYSA-N 0 0 192.262 1.640 10 0 ADAERN Nc1cccc(-c2ccnc(N)n2)c1 103821446 573936721 /nfs/dbraw/zinc/93/67/21/573936721.db2.gz JCGJBQBCEYMKRT-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN CNC1(C(=O)O[C@H](C)C(C)C)CCC1 308466191 573936725 /nfs/dbraw/zinc/93/67/25/573936725.db2.gz GKTANPLZORSGPM-SECBINFHSA-N 0 0 199.294 1.716 10 0 ADAERN Clc1ncccc1-n1cccn1 87511962 573936757 /nfs/dbraw/zinc/93/67/57/573936757.db2.gz BPUZJHBJMYPBEK-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN CCC1([C@H](NC)C(=O)OC)CCC1 686132514 573936768 /nfs/dbraw/zinc/93/67/68/573936768.db2.gz INVAEFXHVKFUSY-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CSCc1cc(N)nn1C(C)C 257905707 573936773 /nfs/dbraw/zinc/93/67/73/573936773.db2.gz LJKLFDXZJLBCGX-UHFFFAOYSA-N 0 0 185.296 1.909 10 0 ADAERN CC[C@H](C)N1C(=O)C[C@@H](CO)C1(C)C 259245608 573936788 /nfs/dbraw/zinc/93/67/88/573936788.db2.gz LYVLDEGOBJELIG-IUCAKERBSA-N 0 0 199.294 1.404 10 0 ADAERN Cc1cccc(=O)n1C[C@@H](O)C(C)C 87539064 573936816 /nfs/dbraw/zinc/93/68/16/573936816.db2.gz DBOMXTUCYMRENC-SNVBAGLBSA-N 0 0 195.262 1.174 10 0 ADAERN C[C@@H]1C[C@@]1(C(=O)[O-])C1CC[NH+](C)CC1 259020406 573936824 /nfs/dbraw/zinc/93/68/24/573936824.db2.gz PPJFMVRVBDDCJE-KCJUWKMLSA-N 0 0 197.278 1.439 10 0 ADAERN CCOC[C@H]([NH3+])c1ccc(CC)o1 131764132 573936828 /nfs/dbraw/zinc/93/68/28/573936828.db2.gz FQEZGRNDVQEXKL-VIFPVBQESA-N 0 0 183.251 1.878 10 0 ADAERN Cc1oncc1CNC(=O)C(C)C 585363735 573936857 /nfs/dbraw/zinc/93/68/57/573936857.db2.gz IEHXAAOTSFJWGX-UHFFFAOYSA-N 0 0 182.223 1.255 10 0 ADAERN O=C([O-])c1ncsc1C[NH2+]C1CC1 257905528 573936870 /nfs/dbraw/zinc/93/68/70/573936870.db2.gz LFQIXSXUUASYML-UHFFFAOYSA-N 0 0 198.247 1.093 10 0 ADAERN CCCCC[C@@H](C)N1C(=O)C=CC1=O 42313141 573936882 /nfs/dbraw/zinc/93/68/82/573936882.db2.gz GTLNSBINIGMLLU-SECBINFHSA-N 0 0 195.262 1.880 10 0 ADAERN C[C@@H]1C(=O)CN1Cc1ccccc1 222809351 573937292 /nfs/dbraw/zinc/93/72/92/573937292.db2.gz NGCSQURCYDVOQF-SECBINFHSA-N 0 0 175.231 1.460 10 0 ADAERN CC(C)(C)c1c[nH]c(CCCO)n1 259018740 573936912 /nfs/dbraw/zinc/93/69/12/573936912.db2.gz FDBJTKZJBQQHBY-UHFFFAOYSA-N 0 0 182.267 1.632 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1C(N)=S 22178215 573936947 /nfs/dbraw/zinc/93/69/47/573936947.db2.gz UBPCGOIOBFHYDC-RNFRBKRXSA-N 0 0 172.297 1.493 10 0 ADAERN CC(=O)[C@@H](C)Sc1ncns1 87515724 573937299 /nfs/dbraw/zinc/93/72/99/573937299.db2.gz OWYRJVXWYFLYMS-RXMQYKEDSA-N 0 0 188.277 1.608 10 0 ADAERN CN(CC1CCC1)C(=S)NC1CC1 123134268 573937300 /nfs/dbraw/zinc/93/73/00/573937300.db2.gz WYBYIDXUCAATEG-UHFFFAOYSA-N 0 0 198.335 1.755 10 0 ADAERN CC[NH+](CC)[C@]1(C(=O)[O-])CC[C@@H]2C[C@@H]21 308465945 573937011 /nfs/dbraw/zinc/93/70/11/573937011.db2.gz HWKDKJSNCCVLKB-WCABBAIRSA-N 0 0 197.278 1.582 10 0 ADAERN CNC(=O)c1ccc(SC)c(N)c1 110402022 573937038 /nfs/dbraw/zinc/93/70/38/573937038.db2.gz XZKKYOXDOKOTIG-UHFFFAOYSA-N 0 0 196.275 1.350 10 0 ADAERN CC[C@H](OC)[C@@H](NN)c1ccoc1 123134883 573937309 /nfs/dbraw/zinc/93/73/09/573937309.db2.gz KZOYQQZIZBBMOF-IUCAKERBSA-N 0 0 184.239 1.209 10 0 ADAERN CC[NH+](CC)[C@]1(C(=O)[O-])CC[C@H]2C[C@H]21 308465943 573937087 /nfs/dbraw/zinc/93/70/87/573937087.db2.gz HWKDKJSNCCVLKB-IQJOONFLSA-N 0 0 197.278 1.582 10 0 ADAERN CCCCC[C@H](C)N1C(=O)C=CC1=O 42313143 573937099 /nfs/dbraw/zinc/93/70/99/573937099.db2.gz GTLNSBINIGMLLU-VIFPVBQESA-N 0 0 195.262 1.880 10 0 ADAERN CCOC(=O)Oc1ccc(O)c(N)c1 103767369 573937104 /nfs/dbraw/zinc/93/71/04/573937104.db2.gz JPMBTOXOUXBYMY-UHFFFAOYSA-N 0 0 197.190 1.510 10 0 ADAERN C[C@@H](O)Cc1ccc(CCON)cc1 258184292 573937115 /nfs/dbraw/zinc/93/71/15/573937115.db2.gz WUWBZANBYVPVAD-SECBINFHSA-N 0 0 195.262 1.043 10 0 ADAERN CC(C)[C@@H](O)CN1CCCCC1=O 87539034 573937143 /nfs/dbraw/zinc/93/71/43/573937143.db2.gz HMUIPDBPZPGSIX-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN CC[C@H]([NH3+])C1CCC(C(=O)[O-])CC1 259244031 573937151 /nfs/dbraw/zinc/93/71/51/573937151.db2.gz HUYDSMKNPPSAMI-HACHORDNSA-N 0 0 185.267 1.615 10 0 ADAERN CC(C)[C@H](O)CN1CCCCC1=O 87539033 573937169 /nfs/dbraw/zinc/93/71/69/573937169.db2.gz HMUIPDBPZPGSIX-SECBINFHSA-N 0 0 185.267 1.016 10 0 ADAERN CC[C@@H](C)C(=O)CSc1nc[nH]n1 87537293 573937176 /nfs/dbraw/zinc/93/71/76/573937176.db2.gz LMGGPNZUVJZGFT-ZCFIWIBFSA-N 0 0 199.279 1.512 10 0 ADAERN Cc1ccn(C[C@@H](O)C(C)C)n1 87539235 573937191 /nfs/dbraw/zinc/93/71/91/573937191.db2.gz DOYSUQLNVGCXEX-SECBINFHSA-N 0 0 168.240 1.208 10 0 ADAERN Cc1nn(C[C@H](O)C(C)C)c(C)c1C 87539069 573937196 /nfs/dbraw/zinc/93/71/96/573937196.db2.gz VDLRPLNLHPUKTD-NSHDSACASA-N 0 0 196.294 1.825 10 0 ADAERN CC1(C)CCC=C1C(N)=O 238198099 573937202 /nfs/dbraw/zinc/93/72/02/573937202.db2.gz HXLUCYNOKXOLIH-UHFFFAOYSA-N 0 0 139.198 1.218 10 0 ADAERN CC[C@@H](C)[C@H](O)Cn1cnc(C)c1C 87539128 573937213 /nfs/dbraw/zinc/93/72/13/573937213.db2.gz HOBUTHJWJNIOFY-LDYMZIIASA-N 0 0 196.294 1.907 10 0 ADAERN CC1(C)CCC=C(CC(N)=O)C1 238197639 573937231 /nfs/dbraw/zinc/93/72/31/573937231.db2.gz DTPKWOHRCRLODM-UHFFFAOYSA-N 0 0 167.252 1.998 10 0 ADAERN O[C@@H]1CCCc2cnc(C3CCC3)n21 258184860 573937254 /nfs/dbraw/zinc/93/72/54/573937254.db2.gz JELIQBMXNDMXLR-SNVBAGLBSA-N 0 0 192.262 1.978 10 0 ADAERN CC(C)N1C[C@@H](c2cc[nH]c2)NC1=O 259245110 573938269 /nfs/dbraw/zinc/93/82/69/573938269.db2.gz DBUJTZUJRMDEOK-VIFPVBQESA-N 0 0 193.250 1.489 10 0 ADAERN Cc1cc(O)c(CC2(O)CC2)cc1O 258184229 573938300 /nfs/dbraw/zinc/93/83/00/573938300.db2.gz WTMXAELAPAFWRL-UHFFFAOYSA-N 0 0 194.230 1.474 10 0 ADAERN Cc1cccc(=O)n1C[C@H](O)C(C)C 87539063 573938303 /nfs/dbraw/zinc/93/83/03/573938303.db2.gz DBOMXTUCYMRENC-JTQLQIEISA-N 0 0 195.262 1.174 10 0 ADAERN COC(=O)OC1CCCC1 81223426 573938310 /nfs/dbraw/zinc/93/83/10/573938310.db2.gz ZFUQGJPCODCGDO-UHFFFAOYSA-N 0 0 144.170 1.712 10 0 ADAERN CC(=O)CCSc1ncns1 87515758 573938313 /nfs/dbraw/zinc/93/83/13/573938313.db2.gz ATMQEYLFGRMAJA-UHFFFAOYSA-N 0 0 188.277 1.609 10 0 ADAERN [NH3+][C@@H]1c2cc(F)ccc2C[C@H]1C(=O)[O-] 258184711 573938319 /nfs/dbraw/zinc/93/83/19/573938319.db2.gz VIOSYEAGZRPENT-RKDXNWHRSA-N 0 0 195.193 1.082 10 0 ADAERN CCONC(=O)c1cccc(N)c1C 110402119 573938381 /nfs/dbraw/zinc/93/83/81/573938381.db2.gz YGCCMDBNZWNEGX-UHFFFAOYSA-N 0 0 194.234 1.259 10 0 ADAERN Cc1ccn(C[C@H](O)C(C)C)c(=O)c1 87539172 573938382 /nfs/dbraw/zinc/93/83/82/573938382.db2.gz LMBMGRZXFUEFSF-JTQLQIEISA-N 0 0 195.262 1.174 10 0 ADAERN CCc1nc(CC(C)C)cc(NN)[nH+]1 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CCC(=O)C[C@@]1(C)CC(C)(C)C(=O)N1 238201679 573940163 /nfs/dbraw/zinc/94/01/63/573940163.db2.gz CNNRDEQFKFMJQN-NSHDSACASA-N 0 0 197.278 1.660 10 0 ADAERN Cc1nc([C@@H]2CCC[N@@H+](C)C2)c[nH]1 259022232 573940183 /nfs/dbraw/zinc/94/01/83/573940183.db2.gz FKPKPMLHAPNEAD-SECBINFHSA-N 0 0 179.267 1.527 10 0 ADAERN CC1(C)CC(=O)[C@@](C)([C@H]2CO2)C1 238201301 573940191 /nfs/dbraw/zinc/94/01/91/573940191.db2.gz WQUUFRUPQBTDMH-SCZZXKLOSA-N 0 0 168.236 1.781 10 0 ADAERN COC[C@@H](OC)c1cccc(CO)c1 258184308 573940197 /nfs/dbraw/zinc/94/01/97/573940197.db2.gz WVGGMDDAKJCCJY-LLVKDONJSA-N 0 0 196.246 1.513 10 0 ADAERN Nc1noc2nc3c(cc12)CCCC3 87545277 573940198 /nfs/dbraw/zinc/94/01/98/573940198.db2.gz VMZKRJDRHMFQBV-UHFFFAOYSA-N 0 0 189.218 1.684 10 0 ADAERN Nc1noc2nc3c(cc12)CCC3 87545279 573940268 /nfs/dbraw/zinc/94/02/68/573940268.db2.gz OKTYRMCNUXXPKK-UHFFFAOYSA-N 0 0 175.191 1.294 10 0 ADAERN CC(C)(N)c1nc(C2(C)CC2)no1 87548576 573940278 /nfs/dbraw/zinc/94/02/78/573940278.db2.gz UZSYPMILZIVFNG-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CC(C)C(=O)[C@H]1C=C[C@H](O)C1 238201361 573940303 /nfs/dbraw/zinc/94/03/03/573940303.db2.gz AJBCDMWJAUZOMJ-YUMQZZPRSA-N 0 0 154.209 1.149 10 0 ADAERN CC(C)[C@@H](O)COC(C)(C)C 87539568 573940304 /nfs/dbraw/zinc/94/03/04/573940304.db2.gz QVHWWBWEEKCCHP-QMMMGPOBSA-N 0 0 160.257 1.818 10 0 ADAERN COC[C@H](O)c1ccnc(Cl)c1 87545693 573940311 /nfs/dbraw/zinc/94/03/11/573940311.db2.gz MBLYRODFEFXWOJ-ZETCQYMHSA-N 0 0 187.626 1.415 10 0 ADAERN COC(=O)/C(C)=C\COCCC1CC1 308467476 573940319 /nfs/dbraw/zinc/94/03/19/573940319.db2.gz MZACUAAKKVMBKO-UITAMQMPSA-N 0 0 198.262 1.922 10 0 ADAERN COCC(=O)c1ccc(Cl)nc1 87545972 573940321 /nfs/dbraw/zinc/94/03/21/573940321.db2.gz KUSOXTRJZNKANN-UHFFFAOYSA-N 0 0 185.610 1.564 10 0 ADAERN CC[C@H](C(=O)OC)C(=O)C1CC1 43502627 573941983 /nfs/dbraw/zinc/94/19/83/573941983.db2.gz VEPZLHBSAKOSOO-ZETCQYMHSA-N 0 0 170.208 1.165 10 0 ADAERN C/C=C(\CC)OCCO 238214709 573941989 /nfs/dbraw/zinc/94/19/89/573941989.db2.gz TVWKFLFFPSKBSU-XVNBXDOJSA-N 0 0 130.187 1.309 10 0 ADAERN Cc1nc([C@H]2CCC[N@@H+](C)C2)c[nH]1 259022236 573942002 /nfs/dbraw/zinc/94/20/02/573942002.db2.gz FKPKPMLHAPNEAD-VIFPVBQESA-N 0 0 179.267 1.527 10 0 ADAERN C[C@@H]1CCc2c(CO)noc21 87547605 573942024 /nfs/dbraw/zinc/94/20/24/573942024.db2.gz AODHSYFCUIHDOQ-RXMQYKEDSA-N 0 0 153.181 1.217 10 0 ADAERN CC(C)[C@H]1OC[C@H]2CON=C21 238200413 573942064 /nfs/dbraw/zinc/94/20/64/573942064.db2.gz ZIUFTJXKCLNTHW-POYBYMJQSA-N 0 0 155.197 1.044 10 0 ADAERN COC(=O)Cc1nc(C(C)(C)C)c[nH]1 259024264 573942080 /nfs/dbraw/zinc/94/20/80/573942080.db2.gz FTAHJXGHDIGXLO-UHFFFAOYSA-N 0 0 196.250 1.423 10 0 ADAERN CCC(=O)N[C@@H]1[C@H]2C=CC=CC[C@@H]21 238214514 573942096 /nfs/dbraw/zinc/94/20/96/573942096.db2.gz RSPPWQSVRIENRI-ATZCPNFKSA-N 0 0 177.247 1.643 10 0 ADAERN CC(C)[C@]1(O)Nc2ccccc2C1=O 238214963 573942129 /nfs/dbraw/zinc/94/21/29/573942129.db2.gz FMCKUBMIVUQXMN-LLVKDONJSA-N 0 0 191.230 1.639 10 0 ADAERN CC[C@@H](C)c1cc(CO)no1 87547557 573942132 /nfs/dbraw/zinc/94/21/32/573942132.db2.gz DXAVUQMTUKYRKS-ZCFIWIBFSA-N 0 0 155.197 1.680 10 0 ADAERN Cc1cccc(C=O)c1CO 78238094 573942133 /nfs/dbraw/zinc/94/21/33/573942133.db2.gz YZNMAWYHSQWUPK-UHFFFAOYSA-N 0 0 150.177 1.300 10 0 ADAERN CC[C@@H](N)c1nc(C2(C)CC2)no1 87548595 573942138 /nfs/dbraw/zinc/94/21/38/573942138.db2.gz CKHDIKVWNKDYRS-ZCFIWIBFSA-N 0 0 181.239 1.531 10 0 ADAERN CC(C)n1cnnc1COC1CCC1 716866498 573942148 /nfs/dbraw/zinc/94/21/48/573942148.db2.gz AJONAFIWJJTYMF-UHFFFAOYSA-N 0 0 195.266 1.928 10 0 ADAERN CC(C)c1cc(=O)[nH]c(C2(C)CC2)n1 87548735 573942158 /nfs/dbraw/zinc/94/21/58/573942158.db2.gz AQVYVNCNQAYXEV-UHFFFAOYSA-N 0 0 192.262 1.945 10 0 ADAERN CC(C)[NH2+]Cc1ccncc1C(=O)[O-] 257907095 573942161 /nfs/dbraw/zinc/94/21/61/573942161.db2.gz LMHHTZLNSPFDKB-UHFFFAOYSA-N 0 0 194.234 1.278 10 0 ADAERN COc1ccc(N)c(N[C@@H](C)CO)c1 87543844 573942164 /nfs/dbraw/zinc/94/21/64/573942164.db2.gz RTQFLEOCHGMISD-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN C[C@H]1CCC[C@H](Nc2nnc(N)o2)C1 235669884 573942175 /nfs/dbraw/zinc/94/21/75/573942175.db2.gz VIWAMZMGZSKXMT-BQBZGAKWSA-N 0 0 196.254 1.642 10 0 ADAERN COc1ccc(N)c(N(C)C2CC2)c1 87543786 573942176 /nfs/dbraw/zinc/94/21/76/573942176.db2.gz HJLYSZYJCPWTRQ-UHFFFAOYSA-N 0 0 192.262 1.876 10 0 ADAERN Cc1nc(C2(C)CC2)[nH]c(=O)c1C 87548739 573942181 /nfs/dbraw/zinc/94/21/81/573942181.db2.gz RWRDZXDUXAQSPU-UHFFFAOYSA-N 0 0 178.235 1.438 10 0 ADAERN CO[C@](C)(CN1CCC(=O)C1)C1CC1 308469282 573942183 /nfs/dbraw/zinc/94/21/83/573942183.db2.gz HLJDPBDHBVCHBH-LLVKDONJSA-N 0 0 197.278 1.076 10 0 ADAERN COc1ccc(N)c(N[C@H](C)CO)c1 87543846 573942203 /nfs/dbraw/zinc/94/22/03/573942203.db2.gz RTQFLEOCHGMISD-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN CSc1cc(C(=O)CN)ccc1F 258185569 573942211 /nfs/dbraw/zinc/94/22/11/573942211.db2.gz RDCYOUQWWRGNGM-UHFFFAOYSA-N 0 0 199.250 1.689 10 0 ADAERN Cc1cc(=O)[nH]c(C2(C)CC2)n1 87548727 573942222 /nfs/dbraw/zinc/94/22/22/573942222.db2.gz PTYXKCLFOBIEQZ-UHFFFAOYSA-N 0 0 164.208 1.130 10 0 ADAERN CC(C)[C@@H](O)COC1CCC1 87539676 573942234 /nfs/dbraw/zinc/94/22/34/573942234.db2.gz GKEDIBMFZJLWCZ-VIFPVBQESA-N 0 0 158.241 1.572 10 0 ADAERN OCc1cc(C2CCCC2)on1 87547682 573942239 /nfs/dbraw/zinc/94/22/39/573942239.db2.gz HXXHSHUOEBJYFJ-UHFFFAOYSA-N 0 0 167.208 1.825 10 0 ADAERN Cn1c(CCO)cc2cccc(O)c21 258186555 573942244 /nfs/dbraw/zinc/94/22/44/573942244.db2.gz NERMJFSJKJHFLV-UHFFFAOYSA-N 0 0 191.230 1.419 10 0 ADAERN CC1(c2noc(C3(N)CC3)n2)CC1 87548586 573942247 /nfs/dbraw/zinc/94/22/47/573942247.db2.gz RZAKDZXTUVMBSF-UHFFFAOYSA-N 0 0 179.223 1.069 10 0 ADAERN CCc1c(C)nc(C2(C)CC2)[nH]c1=O 87548741 573942257 /nfs/dbraw/zinc/94/22/57/573942257.db2.gz CRDACKJORSGJKE-UHFFFAOYSA-N 0 0 192.262 1.692 10 0 ADAERN C[C@H]1CCc2c(CNC3CC3)noc21 87547374 573942266 /nfs/dbraw/zinc/94/22/66/573942266.db2.gz XFJZLVBFMJBQGY-ZETCQYMHSA-N 0 0 192.262 1.976 10 0 ADAERN NNc1nc(-c2cccs2)c[nH]1 259022452 573942270 /nfs/dbraw/zinc/94/22/70/573942270.db2.gz FNICGWVMYANYHL-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN C[C@@H]1CCc2onc(CO)c2C1 87547702 573942294 /nfs/dbraw/zinc/94/22/94/573942294.db2.gz BJNSJDZXGLEUAV-ZCFIWIBFSA-N 0 0 167.208 1.292 10 0 ADAERN Cc1c(CO)noc1-c1ccco1 87547656 573942307 /nfs/dbraw/zinc/94/23/07/573942307.db2.gz UYODKYQCJVUKEM-UHFFFAOYSA-N 0 0 179.175 1.735 10 0 ADAERN C[C@@H]1CCCc2c(CO)noc21 87547679 573942342 /nfs/dbraw/zinc/94/23/42/573942342.db2.gz RFRFEYCVLDUKPL-ZCFIWIBFSA-N 0 0 167.208 1.607 10 0 ADAERN CO[C@@](C)(CN1CCC(=O)C1)C1CC1 308469283 573942351 /nfs/dbraw/zinc/94/23/51/573942351.db2.gz HLJDPBDHBVCHBH-NSHDSACASA-N 0 0 197.278 1.076 10 0 ADAERN CONCc1cc(C)c(C)c(N)c1 259247547 573942374 /nfs/dbraw/zinc/94/23/74/573942374.db2.gz ABTLREPVNYLAPJ-UHFFFAOYSA-N 0 0 180.251 1.537 10 0 ADAERN OC/C=C\[C@@H]1CCCSC1 258018672 573942377 /nfs/dbraw/zinc/94/23/77/573942377.db2.gz BLYTZPBIGMEKHY-XKKRXVNHSA-N 0 0 158.266 1.678 10 0 ADAERN CC(C)[C@@H]1CCc2onc(CO)c2C1 87547601 573942392 /nfs/dbraw/zinc/94/23/92/573942392.db2.gz NEHXSTIULHLJPZ-MRVPVSSYSA-N 0 0 195.262 1.928 10 0 ADAERN CCC(=O)Cc1cncc(C)n1 238203262 573942395 /nfs/dbraw/zinc/94/23/95/573942395.db2.gz RFIWXDVVXOIFAB-UHFFFAOYSA-N 0 0 164.208 1.307 10 0 ADAERN CC(C)O[C@H](O)[C@]1(Cl)O[C@@H]1C 238203334 573942413 /nfs/dbraw/zinc/94/24/13/573942413.db2.gz UGPYMWONTAURIZ-DSYKOEDSSA-N 0 0 180.631 1.084 10 0 ADAERN CO[C@@H]1C[C@H]1c1[nH]nc(N)c1C(C)C 690017784 573942418 /nfs/dbraw/zinc/94/24/18/573942418.db2.gz VJYGFSFYMGLQML-RNFRBKRXSA-N 0 0 195.266 1.618 10 0 ADAERN CC(C)C[C@H](C)[C@]1(C(=O)[O-])CC[NH2+]C1 308470124 573942425 /nfs/dbraw/zinc/94/24/25/573942425.db2.gz IXSIPYWZTZBRGE-ONGXEEELSA-N 0 0 199.294 1.733 10 0 ADAERN Fc1ncccc1OCc1ncon1 87542410 573942426 /nfs/dbraw/zinc/94/24/26/573942426.db2.gz CJLQXIQATXSEAB-UHFFFAOYSA-N 0 0 195.153 1.183 10 0 ADAERN COc1cc(C)c2c(c1OC)NCC2 257907657 573942433 /nfs/dbraw/zinc/94/24/33/573942433.db2.gz ZQWACACBWCYYQP-UHFFFAOYSA-N 0 0 193.246 1.980 10 0 ADAERN Cc1[nH]c([C@@H]2CCCO2)nc1O 235833565 573942434 /nfs/dbraw/zinc/94/24/34/573942434.db2.gz FJWDTLGQFOUQCW-LURJTMIESA-N 0 0 168.196 1.275 10 0 ADAERN CC(CO)=C1COC(C)(C)OC1 238203673 573942444 /nfs/dbraw/zinc/94/24/44/573942444.db2.gz JGQOMAAPZGETAQ-UHFFFAOYSA-N 0 0 172.224 1.078 10 0 ADAERN CO[C@@H]1C[C@@H]1c1[nH]nc(N)c1C(C)C 690017779 573942459 /nfs/dbraw/zinc/94/24/59/573942459.db2.gz VJYGFSFYMGLQML-NKWVEPMBSA-N 0 0 195.266 1.618 10 0 ADAERN CC1(C)Oc2ccc(CO)c(O)c2O1 238203639 573942495 /nfs/dbraw/zinc/94/24/95/573942495.db2.gz MXNHXXDMPXJVMP-UHFFFAOYSA-N 0 0 196.202 1.392 10 0 ADAERN CC[C@H](C)c1cc(CO)no1 87547558 573942503 /nfs/dbraw/zinc/94/25/03/573942503.db2.gz DXAVUQMTUKYRKS-LURJTMIESA-N 0 0 155.197 1.680 10 0 ADAERN CC(C)C(=O)[C@]1(C)CCC(=O)C1 238203415 573942504 /nfs/dbraw/zinc/94/25/04/573942504.db2.gz WBFONQRGVJXPMB-SNVBAGLBSA-N 0 0 168.236 1.971 10 0 ADAERN CC1=C(C)[C@@H]2C(=O)CC[C@@H]12 238203089 573942516 /nfs/dbraw/zinc/94/25/16/573942516.db2.gz RGNMACJNZWLVON-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN CN[C@H](C)c1nc(C2(C)CC2)no1 87548358 573942531 /nfs/dbraw/zinc/94/25/31/573942531.db2.gz RQHGTWUECCTEPQ-ZCFIWIBFSA-N 0 0 181.239 1.402 10 0 ADAERN CC(=O)c1cn2c(C)cc(C)nc2n1 87546384 573942544 /nfs/dbraw/zinc/94/25/44/573942544.db2.gz RGEXRWBUVBLDEE-UHFFFAOYSA-N 0 0 189.218 1.549 10 0 ADAERN Cc1ccc(F)cc1CCON 257907111 573942557 /nfs/dbraw/zinc/94/25/57/573942557.db2.gz ABGHVZWKELZICN-UHFFFAOYSA-N 0 0 169.199 1.567 10 0 ADAERN Cc1c(N)c(C)n(C(C)C)c(=O)c1N 257907635 573942564 /nfs/dbraw/zinc/94/25/64/573942564.db2.gz ZQMRUYVNKOEDOF-UHFFFAOYSA-N 0 0 195.266 1.210 10 0 ADAERN C[C@H](CC(=O)[O-])[N@H+](C)CC(C)(C)C 45083802 573942571 /nfs/dbraw/zinc/94/25/71/573942571.db2.gz KOVHTZFXYUIQBI-MRVPVSSYSA-N 0 0 187.283 1.828 10 0 ADAERN CC1(C)Oc2ccc(N)cc2C1=O 238203843 573942573 /nfs/dbraw/zinc/94/25/73/573942573.db2.gz ZERBGYBIMSIHDZ-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN COCC[C@@H](C)C(=O)c1coc(C)n1 308471378 573942576 /nfs/dbraw/zinc/94/25/76/573942576.db2.gz 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CC1=C(C)[C@@H]2C(=O)[C@H]3C=C[C@H]3[C@H]12 238203146 573942678 /nfs/dbraw/zinc/94/26/78/573942678.db2.gz KRRNGBGCNHTELN-KATARQTJSA-N 0 0 160.216 1.954 10 0 ADAERN CNc1nccnc1C1(C)CCC1 686124946 573942682 /nfs/dbraw/zinc/94/26/82/573942682.db2.gz DLFVKJJMPDSTGI-UHFFFAOYSA-N 0 0 177.251 1.960 10 0 ADAERN COCOc1cccnc1F 87542407 573942718 /nfs/dbraw/zinc/94/27/18/573942718.db2.gz BUJOQLVBJDLBQA-UHFFFAOYSA-N 0 0 157.144 1.203 10 0 ADAERN CC(O)=C1C(=O)O[C@]1(C)C(C)C 238203794 573942723 /nfs/dbraw/zinc/94/27/23/573942723.db2.gz WLGNSUSNZNFSQM-VXNVDRBHSA-N 0 0 170.208 1.163 10 0 ADAERN C[C@H](O)c1cccc2c1CC(=O)N2C 258186778 573942737 /nfs/dbraw/zinc/94/27/37/573942737.db2.gz WYKWDXZCIRLWIT-ZETCQYMHSA-N 0 0 191.230 1.259 10 0 ADAERN Fc1ncccc1OCC(F)F 87542468 573942739 /nfs/dbraw/zinc/94/27/39/573942739.db2.gz CCLHURAWTFHNEV-UHFFFAOYSA-N 0 0 177.125 1.865 10 0 ADAERN CC1(C)CCC[C@H](O)[C@H]1CO 238215251 573942741 /nfs/dbraw/zinc/94/27/41/573942741.db2.gz XVOQRPZACATOQZ-SFYZADRCSA-N 0 0 158.241 1.166 10 0 ADAERN COc1ccc(N)c(NC[C@@H](C)O)c1 87543842 573942766 /nfs/dbraw/zinc/94/27/66/573942766.db2.gz NVZPKICKMTXKCE-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN CC1([C@H](O)c2cncnc2)CC1 87549785 573943506 /nfs/dbraw/zinc/94/35/06/573943506.db2.gz RYAHXKSSOTYXAO-MRVPVSSYSA-N 0 0 164.208 1.310 10 0 ADAERN O=C1COC[C@@H]2c3ccccc3CN12 257907262 573943527 /nfs/dbraw/zinc/94/35/27/573943527.db2.gz ADSFHPZMCTZEAO-SNVBAGLBSA-N 0 0 189.214 1.100 10 0 ADAERN C[C@@H](C1CC1)[N@H+](C)C1(C(=O)[O-])CCC1 308470006 573943555 /nfs/dbraw/zinc/94/35/55/573943555.db2.gz HSUDYLAWXADPHO-QMMMGPOBSA-N 0 0 197.278 1.724 10 0 ADAERN CN1CCCC[C@H]1c1noc(C=O)n1 258012438 573943592 /nfs/dbraw/zinc/94/35/92/573943592.db2.gz MYCZOFGLUZROLH-ZETCQYMHSA-N 0 0 195.222 1.039 10 0 ADAERN CC1([C@@H](O)Cc2ccnc(N)c2)CC1 87549857 573943597 /nfs/dbraw/zinc/94/35/97/573943597.db2.gz WYJBKZQPACADTP-VIFPVBQESA-N 0 0 192.262 1.367 10 0 ADAERN C[C@@H](O)COc1ccc(Cl)nc1 87542956 573942847 /nfs/dbraw/zinc/94/28/47/573942847.db2.gz 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/nfs/dbraw/zinc/94/29/84/573942984.db2.gz SNINEXYDKADGGN-UHFFFAOYSA-N 0 0 199.217 1.154 10 0 ADAERN CCCC1=NN(C(N)=O)C(C)=CC1 238202763 573942997 /nfs/dbraw/zinc/94/29/97/573942997.db2.gz XCKDUCHCOCAOFD-UHFFFAOYSA-N 0 0 181.239 1.831 10 0 ADAERN OCc1noc2c1CCCCCC2 87547651 573943001 /nfs/dbraw/zinc/94/30/01/573943001.db2.gz NWJQUEXDSSUNHA-UHFFFAOYSA-N 0 0 181.235 1.826 10 0 ADAERN CC1([C@H](O)Cc2ccnc(N)c2)CC1 87549855 573943623 /nfs/dbraw/zinc/94/36/23/573943623.db2.gz WYJBKZQPACADTP-SECBINFHSA-N 0 0 192.262 1.367 10 0 ADAERN OC[C@H](Nc1ccncn1)C1CCC1 717575351 573943005 /nfs/dbraw/zinc/94/30/05/573943005.db2.gz FBAGCAZNRQFDKE-VIFPVBQESA-N 0 0 193.250 1.050 10 0 ADAERN OCCc1c(O)ccc(F)c1F 257907325 573943012 /nfs/dbraw/zinc/94/30/12/573943012.db2.gz AEPCXZHQEHOAGR-UHFFFAOYSA-N 0 0 174.146 1.205 10 0 ADAERN CCc1c(C=O)nnn1C1CCC1 257907626 573943037 /nfs/dbraw/zinc/94/30/37/573943037.db2.gz PWJGBKNHOPIJAE-UHFFFAOYSA-N 0 0 179.223 1.378 10 0 ADAERN CC1(C)CC(=O)[C@](C)([C@H]2CO2)C1 238202051 573943627 /nfs/dbraw/zinc/94/36/27/573943627.db2.gz WQUUFRUPQBTDMH-PSASIEDQSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1Cc2c(CO)noc2[C@H](C)C1 87547628 573943041 /nfs/dbraw/zinc/94/30/41/573943041.db2.gz LOYXZUKRDOVTIO-NKWVEPMBSA-N 0 0 181.235 1.853 10 0 ADAERN COC[NH2+]CC(C)(C)c1ccncc1 259244439 573943051 /nfs/dbraw/zinc/94/30/51/573943051.db2.gz ZIXJRDPURWBZOW-UHFFFAOYSA-N 0 0 194.278 1.553 10 0 ADAERN CCCC1=NO[C@H](C(C)C)N1 238202919 573943080 /nfs/dbraw/zinc/94/30/80/573943080.db2.gz DWUHXOPNNBLSLD-MRVPVSSYSA-N 0 0 156.229 1.702 10 0 ADAERN COc1ccc(N)c(NC[C@H](C)O)c1 87543840 573943084 /nfs/dbraw/zinc/94/30/84/573943084.db2.gz NVZPKICKMTXKCE-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN Cc1nccnc1[C@H]1C[C@H](O)C1(C)C 235827866 573943088 /nfs/dbraw/zinc/94/30/88/573943088.db2.gz JJXWJKIEZUQNNB-BDAKNGLRSA-N 0 0 192.262 1.659 10 0 ADAERN Cc1cc([C@H](C)CO)cc2c1OCO2 258186751 573943095 /nfs/dbraw/zinc/94/30/95/573943095.db2.gz WYECVADEXZZQTL-MRVPVSSYSA-N 0 0 194.230 1.820 10 0 ADAERN CC[C@H](N)c1nc(C2(C)CC2)no1 87548593 573943136 /nfs/dbraw/zinc/94/31/36/573943136.db2.gz CKHDIKVWNKDYRS-LURJTMIESA-N 0 0 181.239 1.531 10 0 ADAERN CC(C)C(=O)[C@@H]1C=C[C@H](O)C1 238202916 573943139 /nfs/dbraw/zinc/94/31/39/573943139.db2.gz AJBCDMWJAUZOMJ-SFYZADRCSA-N 0 0 154.209 1.149 10 0 ADAERN CC1(c2noc([C@@H](N)C3CC3)n2)CC1 87548372 573943172 /nfs/dbraw/zinc/94/31/72/573943172.db2.gz AFCRIFSKZZTAHD-ZETCQYMHSA-N 0 0 193.250 1.531 10 0 ADAERN CC(C)[C@]1(C)C=C[C@@H](O)C1 238201871 573943177 /nfs/dbraw/zinc/94/31/77/573943177.db2.gz NURGCUUBIWJPGW-RKDXNWHRSA-N 0 0 140.226 1.970 10 0 ADAERN CCN(C)c1ccc2[nH]c(=O)oc2c1 259244442 573943186 /nfs/dbraw/zinc/94/31/86/573943186.db2.gz ZIYOULGSQNCDMX-UHFFFAOYSA-N 0 0 192.218 1.577 10 0 ADAERN CC[C@H](CO)C(=O)c1ccccn1 259022481 573943197 /nfs/dbraw/zinc/94/31/97/573943197.db2.gz AJUPPSINPDVZJL-MRVPVSSYSA-N 0 0 179.219 1.283 10 0 ADAERN CC1(C)CCc2c(CO)noc21 87547609 573943206 /nfs/dbraw/zinc/94/32/06/573943206.db2.gz CMULYBQRZSKNLB-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/94/33/65/573943365.db2.gz ZMFKCAKNCFITIZ-UHFFFAOYSA-N 0 0 193.294 1.156 10 0 ADAERN CCC(CC)[C@@H](O)Cc1cnn(C)n1 308469312 573943411 /nfs/dbraw/zinc/94/34/11/573943411.db2.gz HNBUWEBZCIQOJX-JTQLQIEISA-N 0 0 197.282 1.155 10 0 ADAERN O=C1CN[C@@H](c2ccccc2Cl)C1 258186563 573943421 /nfs/dbraw/zinc/94/34/21/573943421.db2.gz VLWPEMHPGQVHNE-SNVBAGLBSA-N 0 0 195.649 1.944 10 0 ADAERN CC(CO)(CO)CC=C1CC1 238202718 573943423 /nfs/dbraw/zinc/94/34/23/573943423.db2.gz WYOKHFGJZRVHDC-UHFFFAOYSA-N 0 0 156.225 1.088 10 0 ADAERN CC1(C)O[C@](C)([C@H]2CO2)CC[C@@H]1O 238202636 573943430 /nfs/dbraw/zinc/94/34/30/573943430.db2.gz MZCXXJXIYVGDLS-XKSSXDPKSA-N 0 0 186.251 1.094 10 0 ADAERN CO[C@@H]1CNc2ccc(C)cc2C1 257907537 573943441 /nfs/dbraw/zinc/94/34/41/573943441.db2.gz PUMKXBMEONNGPV-JTQLQIEISA-N 0 0 177.247 1.978 10 0 ADAERN CC(C)C(=O)C1=C(O)[C@@H](C)CC1 238202866 573943469 /nfs/dbraw/zinc/94/34/69/573943469.db2.gz BOICJFOPRVYYGE-JGVFFNPUSA-N 0 0 168.236 1.827 10 0 ADAERN 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573944635 /nfs/dbraw/zinc/94/46/35/573944635.db2.gz BGPBTGXYDOFTCD-VIFPVBQESA-N 0 0 197.278 1.160 10 0 ADAERN CCC(=O)Cc1ccncc1F 238203220 573944648 /nfs/dbraw/zinc/94/46/48/573944648.db2.gz XDAYNRNLNHLQSA-UHFFFAOYSA-N 0 0 167.183 1.742 10 0 ADAERN CC(=O)[C@H](N)c1ccc(C)c(C)c1N 238201813 573944658 /nfs/dbraw/zinc/94/46/58/573944658.db2.gz BJFJNDLMNATJSP-NSHDSACASA-N 0 0 192.262 1.474 10 0 ADAERN CCCc1noc(C2(NC)CCC2)n1 308469935 573944701 /nfs/dbraw/zinc/94/47/01/573944701.db2.gz HPXDFUIBMQXUCY-UHFFFAOYSA-N 0 0 195.266 1.621 10 0 ADAERN CC(CO)=C1CCC(C)(O)CC1 238203634 573944718 /nfs/dbraw/zinc/94/47/18/573944718.db2.gz QSILFJCMSFSQNR-UHFFFAOYSA-N 0 0 170.252 1.620 10 0 ADAERN Cc1[nH]c(C2(C)CC2)nc1O 235828798 573944738 /nfs/dbraw/zinc/94/47/38/573944738.db2.gz HEETWDCGSITRIL-UHFFFAOYSA-N 0 0 152.197 1.475 10 0 ADAERN COC1(CN(C)N)CCCCCC1 257907585 573944751 /nfs/dbraw/zinc/94/47/51/573944751.db2.gz PVHLVZIMCCXTJG-UHFFFAOYSA-N 0 0 186.299 1.531 10 0 ADAERN CC1([C@H](O)[C@@H]2CCOC2)CC1 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OAYJRTODZSQRSK-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)(C)c1nc(N)cc2nc[nH]c12 257907544 573945735 /nfs/dbraw/zinc/94/57/35/573945735.db2.gz ZPKFVKWPEIMWOO-UHFFFAOYSA-N 0 0 190.250 1.838 10 0 ADAERN CC(C)C[C@@H](C)[C@@]1(C(=O)[O-])CC[NH2+]C1 308470123 573945747 /nfs/dbraw/zinc/94/57/47/573945747.db2.gz IXSIPYWZTZBRGE-MWLCHTKSSA-N 0 0 199.294 1.733 10 0 ADAERN CCCC1CC(CO)(CO)C1 238203205 573945760 /nfs/dbraw/zinc/94/57/60/573945760.db2.gz KWRHVWKTWGGIOA-UHFFFAOYSA-N 0 0 158.241 1.168 10 0 ADAERN CC(C)C[C@H](C)C(=O)[C@@H]1COCCN1 308469668 573945761 /nfs/dbraw/zinc/94/57/61/573945761.db2.gz ITUOLUHLFZQWLN-UWVGGRQHSA-N 0 0 199.294 1.226 10 0 ADAERN CC1(C(=O)c2cnccn2)CC1 87549270 573945762 /nfs/dbraw/zinc/94/57/62/573945762.db2.gz NXYXOVFNZSGKCJ-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN CNc1nc(COC)nc(C)c1F 85005566 573945774 /nfs/dbraw/zinc/94/57/74/573945774.db2.gz PCAUPBPJDNZJTR-UHFFFAOYSA-N 0 0 185.202 1.112 10 0 ADAERN Cc1oncc1CNc1cccnc1 585365043 573945775 /nfs/dbraw/zinc/94/57/75/573945775.db2.gz YOOCALFTLUROHH-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1c(N)nc([C@@H]2CC2(C)C)[nH]c1=O 235826125 573945778 /nfs/dbraw/zinc/94/57/78/573945778.db2.gz LPYRAVFDMNGVDB-LURJTMIESA-N 0 0 193.250 1.174 10 0 ADAERN CCC[C@@H](C)n1nnc2c1CCNC2 85004572 573945786 /nfs/dbraw/zinc/94/57/86/573945786.db2.gz PXBDYFZKLFYINL-MRVPVSSYSA-N 0 0 194.282 1.285 10 0 ADAERN CCc1c(CCO)cc(F)cc1OC 258185536 573945795 /nfs/dbraw/zinc/94/57/95/573945795.db2.gz RCPIFCFLJPGQAC-UHFFFAOYSA-N 0 0 198.237 1.932 10 0 ADAERN CC(C)C[C@@H](C)[C@]1(C(=O)[O-])CC[NH2+]C1 308470122 573945815 /nfs/dbraw/zinc/94/58/15/573945815.db2.gz IXSIPYWZTZBRGE-KOLCDFICSA-N 0 0 199.294 1.733 10 0 ADAERN Cc1ccnc(N)c1C(=O)C1(C)CC1 87549130 573945818 /nfs/dbraw/zinc/94/58/18/573945818.db2.gz XBDFMPJNJXPQBE-UHFFFAOYSA-N 0 0 190.246 1.955 10 0 ADAERN C[C@@]1(c2nc(C=O)cs2)CCOC1 258186689 573945829 /nfs/dbraw/zinc/94/58/29/573945829.db2.gz VNGOMYNWQHRNBN-SECBINFHSA-N 0 0 197.259 1.634 10 0 ADAERN COCc1cccc(CCCO)c1 257907386 573945833 /nfs/dbraw/zinc/94/58/33/573945833.db2.gz AFEYFBISKJBKFY-UHFFFAOYSA-N 0 0 180.247 1.758 10 0 ADAERN CCCC1C(=O)CC(C)CC1=O 238203104 573945841 /nfs/dbraw/zinc/94/58/41/573945841.db2.gz CZCFNWDPAUWUAK-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1ccnc(N)c1[C@@H](O)C1(C)CC1 87549680 573945858 /nfs/dbraw/zinc/94/58/58/573945858.db2.gz ZXMLMTHZJPIKAX-SECBINFHSA-N 0 0 192.262 1.806 10 0 ADAERN CC1(C(=O)[C@@H]2CCOC2)CC1 87548981 573945879 /nfs/dbraw/zinc/94/58/79/573945879.db2.gz YZKOZWJUAZBEFC-SSDOTTSWSA-N 0 0 154.209 1.392 10 0 ADAERN CCC1=N[C@H](O)c2ccccc2N1 238202944 573945884 /nfs/dbraw/zinc/94/58/84/573945884.db2.gz MOLWAOMHCZKLQK-SNVBAGLBSA-N 0 0 176.219 1.721 10 0 ADAERN CC1([C@@H](O)CC2CCOCC2)CC1 87550437 573945885 /nfs/dbraw/zinc/94/58/85/573945885.db2.gz AYAQDNINQCEMKE-JTQLQIEISA-N 0 0 184.279 1.964 10 0 ADAERN Cn1cc([C@@H](O)C2(C)CC2)cn1 87550431 573945896 /nfs/dbraw/zinc/94/58/96/573945896.db2.gz QAVSRLYTNDEJMF-MRVPVSSYSA-N 0 0 166.224 1.254 10 0 ADAERN CNOCCC[C@H]1CCCS1 257907514 573945904 /nfs/dbraw/zinc/94/59/04/573945904.db2.gz IPRSBVNWRCELDA-QMMMGPOBSA-N 0 0 175.297 1.813 10 0 ADAERN CCc1nccn1[C@H](C)CC(N)=S 42419859 573945911 /nfs/dbraw/zinc/94/59/11/573945911.db2.gz OTDCMEJPQSQSJY-SSDOTTSWSA-N 0 0 197.307 1.683 10 0 ADAERN CCSCc1cnn(C)c1N 257907472 573945914 /nfs/dbraw/zinc/94/59/14/573945914.db2.gz LQJGUSPNECSDLS-UHFFFAOYSA-N 0 0 171.269 1.255 10 0 ADAERN CCn1nccc1[C@@H](O)C1(C)CC1 87549676 573945930 /nfs/dbraw/zinc/94/59/30/573945930.db2.gz VFRBIPJGKVNIKX-SECBINFHSA-N 0 0 180.251 1.737 10 0 ADAERN CCNc1nc(CC)nc(C)c1F 85005653 573945940 /nfs/dbraw/zinc/94/59/40/573945940.db2.gz WZHQLPDFWZMOSU-UHFFFAOYSA-N 0 0 183.230 1.918 10 0 ADAERN C[C@H](O)Cc1ccc(O)cc1C=O 257907225 573945946 /nfs/dbraw/zinc/94/59/46/573945946.db2.gz ADIOKQVVFGYNMC-ZETCQYMHSA-N 0 0 180.203 1.128 10 0 ADAERN CC(C)N1C(=O)C[C@@H]2CCC(=O)C[C@@H]21 238202355 573945957 /nfs/dbraw/zinc/94/59/57/573945957.db2.gz VNLQIZMCYYYJSY-WPRPVWTQSA-N 0 0 195.262 1.365 10 0 ADAERN CCC1=N[C@H](c2ccccc2)C(=O)N1 238202759 573945971 /nfs/dbraw/zinc/94/59/71/573945971.db2.gz ZQDDGYGBAVJINF-SNVBAGLBSA-N 0 0 188.230 1.666 10 0 ADAERN Cn1ccnc1CC(=O)C1(C)CC1 87549090 573945991 /nfs/dbraw/zinc/94/59/91/573945991.db2.gz GEPWHIXOEJPWNW-UHFFFAOYSA-N 0 0 178.235 1.332 10 0 ADAERN CCCOCC(=O)C1(C)CC1 87548992 573946006 /nfs/dbraw/zinc/94/60/06/573946006.db2.gz PVPHLORSQXGJNY-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN CCN(C(=O)OC)c1ccc(N)cn1 259244515 573946020 /nfs/dbraw/zinc/94/60/20/573946020.db2.gz SHVUXGZNNZIPKN-UHFFFAOYSA-N 0 0 195.222 1.257 10 0 ADAERN CC(C)[C@](F)(Br)C(N)=O 238205516 573946834 /nfs/dbraw/zinc/94/68/34/573946834.db2.gz MEFXRKVOCJEXMD-RXMQYKEDSA-N 0 0 198.035 1.188 10 0 ADAERN CCOC[C@H](O)c1cncs1 87573338 573947389 /nfs/dbraw/zinc/94/73/89/573947389.db2.gz TVOLRTWRXFKMPY-LURJTMIESA-N 0 0 173.237 1.213 10 0 ADAERN CC(C)n1ncc2[nH]c(C=O)cc21 257913869 573947397 /nfs/dbraw/zinc/94/73/97/573947397.db2.gz QPJBFDBZJUUYPC-UHFFFAOYSA-N 0 0 177.207 1.758 10 0 ADAERN Cc1ccc(N(C)C)c(CNO)c1 257915502 573947420 /nfs/dbraw/zinc/94/74/20/573947420.db2.gz BLNLJYJNNSUDGA-UHFFFAOYSA-N 0 0 180.251 1.540 10 0 ADAERN Nc1nnc(C2C[C@@H]3C[C@@H]3C2)s1 87564569 573947461 /nfs/dbraw/zinc/94/74/61/573947461.db2.gz PYGQIQPFMVQWFY-XEAPYIEGSA-N 0 0 181.264 1.634 10 0 ADAERN CCc1nc(N)nc(C2(C)CC2)n1 87554260 573947466 /nfs/dbraw/zinc/94/74/66/573947466.db2.gz JLRMOPGWMFUKMY-UHFFFAOYSA-N 0 0 178.239 1.068 10 0 ADAERN CCC[C@@H](NN)C(OCC)OCC 127649830 573947481 /nfs/dbraw/zinc/94/74/81/573947481.db2.gz JKFVZGLYIGVYSZ-MRVPVSSYSA-N 0 0 190.287 1.018 10 0 ADAERN O[C@@H]1CCCc2nnc(C3CCC3)n21 258461569 573947497 /nfs/dbraw/zinc/94/74/97/573947497.db2.gz XJFYXHVAXSTBQR-SECBINFHSA-N 0 0 193.250 1.373 10 0 ADAERN CCn1c(=NN)[nH]c2c(C)cccc21 257914261 573947503 /nfs/dbraw/zinc/94/75/03/573947503.db2.gz AJXWBKMNAIWRNX-UHFFFAOYSA-N 0 0 190.250 1.650 10 0 ADAERN C[C@H](O)c1nc(C2(C)CC2)no1 87554128 573947505 /nfs/dbraw/zinc/94/75/05/573947505.db2.gz PBYNXHHPQFNRNY-YFKPBYRVSA-N 0 0 168.196 1.174 10 0 ADAERN CC(C)NC(=O)/C(Cl)=C/Cl 238206017 573947509 /nfs/dbraw/zinc/94/75/09/573947509.db2.gz BHSMVIQZBBDXJK-HYXAFXHYSA-N 0 0 182.050 1.830 10 0 ADAERN Cc1nc(C2CCC2)nc(NN)c1F 85006149 573947516 /nfs/dbraw/zinc/94/75/16/573947516.db2.gz JUMJYHYEBKBESQ-UHFFFAOYSA-N 0 0 196.229 1.477 10 0 ADAERN CC(C)[C@](C)(O)C(=O)NC(C)(C)C 238204654 573947520 /nfs/dbraw/zinc/94/75/20/573947520.db2.gz UVQIZJLKISLDII-JTQLQIEISA-N 0 0 187.283 1.308 10 0 ADAERN CCOC(=N)C1(C)CC1 87553421 573947522 /nfs/dbraw/zinc/94/75/22/573947522.db2.gz VVCRHHYGOLBLIM-UHFFFAOYSA-N 0 0 127.187 1.800 10 0 ADAERN CC(C)[C@H](C(N)=O)C1CCCC1 238206395 573947540 /nfs/dbraw/zinc/94/75/40/573947540.db2.gz KVBCEPCTVLLXPD-VIFPVBQESA-N 0 0 169.268 1.934 10 0 ADAERN CC(C)[C@@]1(O)CCC(=O)C1 238206150 573946838 /nfs/dbraw/zinc/94/68/38/573946838.db2.gz RRJICOFCYJNXCU-MRVPVSSYSA-N 0 0 142.198 1.127 10 0 ADAERN CC(C)[C@H](C)n1nnc2c1CCNC2 85004606 573946851 /nfs/dbraw/zinc/94/68/51/573946851.db2.gz LQZMKDAKZNUMMX-QMMMGPOBSA-N 0 0 194.282 1.141 10 0 ADAERN CCC[C@H](O)C1(C)CC1 87550025 573946856 /nfs/dbraw/zinc/94/68/56/573946856.db2.gz QEHQUUDCEBEBHE-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN CC1=C(CC(N)=O)CCCC1 238206411 573946868 /nfs/dbraw/zinc/94/68/68/573946868.db2.gz DLQHNUMRMWFGRL-UHFFFAOYSA-N 0 0 153.225 1.752 10 0 ADAERN CC[C@]1(CO)Cc2ccc(O)cc2N1 258185817 573946876 /nfs/dbraw/zinc/94/68/76/573946876.db2.gz NBILQRGQNNBXDM-LLVKDONJSA-N 0 0 193.246 1.501 10 0 ADAERN CC(C)NC(=O)C1C=CC=CC=C1 238206244 573946880 /nfs/dbraw/zinc/94/68/80/573946880.db2.gz UGHRUTIZJNRVRL-UHFFFAOYSA-N 0 0 177.247 1.809 10 0 ADAERN CC(Cl)(Cl)C(N)=S 238204968 573946888 /nfs/dbraw/zinc/94/68/88/573946888.db2.gz JRCPFWDFOKOHCD-UHFFFAOYSA-N 0 0 158.053 1.466 10 0 ADAERN CC(C)OC[C@@H](O)C1(C)CC1 87550468 573946889 /nfs/dbraw/zinc/94/68/89/573946889.db2.gz ORVUNTHGYQXELN-MRVPVSSYSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)n1ccnc1N(C)C 257914813 573946893 /nfs/dbraw/zinc/94/68/93/573946893.db2.gz QIALUQFDMLWGBX-UHFFFAOYSA-N 0 0 153.229 1.530 10 0 ADAERN NOCc1cc(F)cc(F)c1O 257915273 573946901 /nfs/dbraw/zinc/94/69/01/573946901.db2.gz BGVLOSDAUWIGQL-UHFFFAOYSA-N 0 0 175.134 1.061 10 0 ADAERN CC(C)O[C@H]1NC(=O)c2ccccc21 238204031 573946911 /nfs/dbraw/zinc/94/69/11/573946911.db2.gz BUFCKWLMFFTUQX-LLVKDONJSA-N 0 0 191.230 1.854 10 0 ADAERN CC1(C)S[C@H](c2ccco2)NC1=O 238205672 573946914 /nfs/dbraw/zinc/94/69/14/573946914.db2.gz SWYAWKVKFGHGKJ-SSDOTTSWSA-N 0 0 197.259 1.920 10 0 ADAERN Cc1c2c(F)cc(N)cc2nn1C 259247789 573946923 /nfs/dbraw/zinc/94/69/23/573946923.db2.gz AHFJYVHWWMACFD-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN C/C=C(\C)[C@@H]1CCC1(CO)CO 216145983 573946925 /nfs/dbraw/zinc/94/69/25/573946925.db2.gz WQQMSDSSYUSFRY-IPQKIJNHSA-N 0 0 170.252 1.334 10 0 ADAERN Cc1nc(C2CC2)nc(NN)c1F 85006080 573946947 /nfs/dbraw/zinc/94/69/47/573946947.db2.gz PBEGDJCUDUCOTL-UHFFFAOYSA-N 0 0 182.202 1.087 10 0 ADAERN Nc1cccc2c1SCCN2 259247159 573946954 /nfs/dbraw/zinc/94/69/54/573946954.db2.gz NOPACZHGABOKQC-UHFFFAOYSA-N 0 0 166.249 1.786 10 0 ADAERN CN1c2ccc(F)cc2C[C@@H]1CON 257913850 573946962 /nfs/dbraw/zinc/94/69/62/573946962.db2.gz BNPDNAPZSOUYDL-SECBINFHSA-N 0 0 196.225 1.077 10 0 ADAERN Cc1cc(O)c(CCON)cc1C 257913558 573946967 /nfs/dbraw/zinc/94/69/67/573946967.db2.gz BCTBKTSJFBMDPQ-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN Cc1nc(CC(C)C)nc(N)c1F 85005445 573946969 /nfs/dbraw/zinc/94/69/69/573946969.db2.gz QWXXJABOVXLCCT-UHFFFAOYSA-N 0 0 183.230 1.705 10 0 ADAERN CC1(C)CCCC[C@]1(O)CCO 238205128 573946979 /nfs/dbraw/zinc/94/69/79/573946979.db2.gz ZKZLIFLWODDKSB-JTQLQIEISA-N 0 0 172.268 1.700 10 0 ADAERN C[C@@H]1CN(C)c2cccc(O)c2N1 259247172 573946987 /nfs/dbraw/zinc/94/69/87/573946987.db2.gz NOVQFRHKCAFTCO-SSDOTTSWSA-N 0 0 178.235 1.642 10 0 ADAERN CC1(C)Oc2ncccc2C[C@H]1O 238204809 573947002 /nfs/dbraw/zinc/94/70/02/573947002.db2.gz JSKDNGULDFPLLY-MRVPVSSYSA-N 0 0 179.219 1.156 10 0 ADAERN C=CC1=C(C)CC(CO)(CO)C1 238204512 573947040 /nfs/dbraw/zinc/94/70/40/573947040.db2.gz PHIVFQIZMUCWDA-UHFFFAOYSA-N 0 0 168.236 1.254 10 0 ADAERN Nc1cc(C2CC2)n(C2CC2)c(=O)c1 257907743 573947115 /nfs/dbraw/zinc/94/71/15/573947115.db2.gz ZSTFSYGOHZNPGH-UHFFFAOYSA-N 0 0 190.246 1.643 10 0 ADAERN CC1(C)[C@@H](CC[NH3+])C[C@H]1C(=O)[O-] 238205908 573947131 /nfs/dbraw/zinc/94/71/31/573947131.db2.gz PAGDHBGEIOFGCI-BQBZGAKWSA-N 0 0 171.240 1.082 10 0 ADAERN Cc1c(O)ccc(CCCO)c1C 257915510 573947153 /nfs/dbraw/zinc/94/71/53/573947153.db2.gz BLQYXHKKQIYYKI-UHFFFAOYSA-N 0 0 180.247 1.934 10 0 ADAERN Cc1nc([C@H]2C[C@@H]2C)nc(NN)c1F 85006038 573947162 /nfs/dbraw/zinc/94/71/62/573947162.db2.gz HAVVGNOPIWXKLM-NJGYIYPDSA-N 0 0 196.229 1.333 10 0 ADAERN O[C@H](c1cncs1)[C@@H]1CCOC1 87573204 573947164 /nfs/dbraw/zinc/94/71/64/573947164.db2.gz KNTIFGQCFGRYHD-SVRRBLITSA-N 0 0 185.248 1.213 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)C(C)(C)C)CO1 402382975 573947168 /nfs/dbraw/zinc/94/71/68/573947168.db2.gz OAYJRTODZSQRSK-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN Cc1[nH]c(Cc2cccnc2)nc1O 235832232 573947176 /nfs/dbraw/zinc/94/71/76/573947176.db2.gz LTOOQNBPOVREKX-UHFFFAOYSA-N 0 0 189.218 1.410 10 0 ADAERN CC1(C)S[C@@H](c2ccco2)NC1=O 238205096 573947178 /nfs/dbraw/zinc/94/71/78/573947178.db2.gz SWYAWKVKFGHGKJ-ZETCQYMHSA-N 0 0 197.259 1.920 10 0 ADAERN Cc1nc(N2CCCC2)nc(N)c1F 85005489 573947206 /nfs/dbraw/zinc/94/72/06/573947206.db2.gz XAEQJEJGGNGXPY-UHFFFAOYSA-N 0 0 196.229 1.107 10 0 ADAERN Cc1noc(N[C@H]2CCO[C@@H](C)C2)n1 235672535 573947207 /nfs/dbraw/zinc/94/72/07/573947207.db2.gz DDSPWTNYOZFPKB-XPUUQOCRSA-N 0 0 197.238 1.357 10 0 ADAERN C=CC1=C(C)[C@@H](O)[C@H](CO)CC1 238204561 573947227 /nfs/dbraw/zinc/94/72/27/573947227.db2.gz PGMCCQXQWRRUQZ-VHSXEESVSA-N 0 0 168.236 1.252 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2C)nc(NN)c1F 85006040 573947229 /nfs/dbraw/zinc/94/72/29/573947229.db2.gz HAVVGNOPIWXKLM-INEUFUBQSA-N 0 0 196.229 1.333 10 0 ADAERN Cc1nc(C2CCC2)nc(N)c1F 85005364 573947240 /nfs/dbraw/zinc/94/72/40/573947240.db2.gz DBEPQDOQORHXPB-UHFFFAOYSA-N 0 0 181.214 1.774 10 0 ADAERN CC(C)n1[nH]c(=O)c2c1CCOC2 257914180 573947242 /nfs/dbraw/zinc/94/72/42/573947242.db2.gz QRYVJYDNSKSTMO-UHFFFAOYSA-N 0 0 182.223 1.242 10 0 ADAERN CC(C)C(=O)N1C[C@H](O)CC1(C)C 259244372 573947264 /nfs/dbraw/zinc/94/72/64/573947264.db2.gz SEAJHVCANYZHCE-MRVPVSSYSA-N 0 0 185.267 1.014 10 0 ADAERN C=CC1=C(C)[C@H](O)[C@@H](CO)CC1 238204624 573947270 /nfs/dbraw/zinc/94/72/70/573947270.db2.gz PGMCCQXQWRRUQZ-ZJUUUORDSA-N 0 0 168.236 1.252 10 0 ADAERN C[C@@H](O)C(F)(F)[C@H]1CCCS1 257913905 573947288 /nfs/dbraw/zinc/94/72/88/573947288.db2.gz QPXKYXGFPROTFU-PHDIDXHHSA-N 0 0 182.235 1.898 10 0 ADAERN CNc1nc(N(C)C)nc(C)c1F 85005524 573947292 /nfs/dbraw/zinc/94/72/92/573947292.db2.gz UDPOKZGZZFLJAN-UHFFFAOYSA-N 0 0 184.218 1.032 10 0 ADAERN CC(=O)c1nc(C2(C)CC2)no1 87554106 573947293 /nfs/dbraw/zinc/94/72/93/573947293.db2.gz ZXYNFZKDXSZWRU-UHFFFAOYSA-N 0 0 166.180 1.324 10 0 ADAERN Cc1ccc2c(c1CO)OCO2 257915447 573947294 /nfs/dbraw/zinc/94/72/94/573947294.db2.gz BJRAVJLETFTUES-UHFFFAOYSA-N 0 0 166.176 1.216 10 0 ADAERN CC1=C(CC(N)=O)CCC1(C)C 238206387 573947302 /nfs/dbraw/zinc/94/73/02/573947302.db2.gz WAIKTKFYDWYIAM-UHFFFAOYSA-N 0 0 167.252 1.998 10 0 ADAERN CCCc1nc(C)c(F)c(N)n1 85005405 573947317 /nfs/dbraw/zinc/94/73/17/573947317.db2.gz GODBGGQMKWKSSO-UHFFFAOYSA-N 0 0 169.203 1.459 10 0 ADAERN NOc1ccc(Br)o1 257915509 573947320 /nfs/dbraw/zinc/94/73/20/573947320.db2.gz JJQOVQLHMZEKPF-UHFFFAOYSA-N 0 0 177.985 1.295 10 0 ADAERN CC(C)O[P@@]1(=O)CC[C@@H](CO)C1 238205232 573947359 /nfs/dbraw/zinc/94/73/59/573947359.db2.gz FZVRBUZNOJPNTF-UFBFGSQYSA-N 0 0 192.195 1.702 10 0 ADAERN C=CC1=C(C)[C@H](O)[C@H](CO)CC1 238204576 573947365 /nfs/dbraw/zinc/94/73/65/573947365.db2.gz PGMCCQXQWRRUQZ-UWVGGRQHSA-N 0 0 168.236 1.252 10 0 ADAERN Cc1nc(-c2ccco2)nc(N)c1F 85005312 573947380 /nfs/dbraw/zinc/94/73/80/573947380.db2.gz LGHRCMNIOPSLNS-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cn1c(CO)cc2ccc(F)cc21 257910501 573951696 /nfs/dbraw/zinc/95/16/96/573951696.db2.gz NIWFDSICFABWQB-UHFFFAOYSA-N 0 0 179.194 1.810 10 0 ADAERN CCc1nn(C)c(OC2CCC2)c1N 85021336 573951716 /nfs/dbraw/zinc/95/17/16/573951716.db2.gz RNXMCLDEKIRVFD-UHFFFAOYSA-N 0 0 195.266 1.496 10 0 ADAERN COCc1cc(Cl)n(C)n1 85018551 573951737 /nfs/dbraw/zinc/95/17/37/573951737.db2.gz JUJHVVJXPBYTIX-UHFFFAOYSA-N 0 0 160.604 1.220 10 0 ADAERN CCc1nn(C)c(N(C)CC)c1N 85020766 573951746 /nfs/dbraw/zinc/95/17/46/573951746.db2.gz IIYZMPUHPLMVRE-UHFFFAOYSA-N 0 0 182.271 1.021 10 0 ADAERN CC(C)Oc1c[nH]cn1 238207103 573951757 /nfs/dbraw/zinc/95/17/57/573951757.db2.gz OWXPWJUFPAYGPZ-UHFFFAOYSA-N 0 0 126.159 1.197 10 0 ADAERN CC(C)c1[nH]n(C)c(=S)c1N 85022159 573951758 /nfs/dbraw/zinc/95/17/58/573951758.db2.gz MJAVZSRLJBPKFY-UHFFFAOYSA-N 0 0 171.269 1.414 10 0 ADAERN CCc1nn(C)c(NC(C)(C)C)c1N 85020741 573951767 /nfs/dbraw/zinc/95/17/67/573951767.db2.gz HGIBEPZVXPSYDC-UHFFFAOYSA-N 0 0 196.298 1.775 10 0 ADAERN CCC1CC[NH+](C[C@H](C)C(=O)[O-])CC1 42447020 573951769 /nfs/dbraw/zinc/95/17/69/573951769.db2.gz PSRXNMQQGKHPFU-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CCCCn1c2c([nH]c1=O)CCCC2 238207241 573951770 /nfs/dbraw/zinc/95/17/70/573951770.db2.gz OMFCNDOBOSSSIZ-UHFFFAOYSA-N 0 0 194.278 1.855 10 0 ADAERN CC[C@H](C)/C=C\OCCO 213878086 573951771 /nfs/dbraw/zinc/95/17/71/573951771.db2.gz WRDRQQVFNLNRFW-HORMHSFOSA-N 0 0 144.214 1.555 10 0 ADAERN CCc1cc(N)nc(CC2CC2)n1 87583428 573951776 /nfs/dbraw/zinc/95/17/76/573951776.db2.gz DOIXCUXLGARSAE-UHFFFAOYSA-N 0 0 177.251 1.574 10 0 ADAERN Cc1[nH]c([C@H]2CCCS2)nc1O 235834750 573951777 /nfs/dbraw/zinc/95/17/77/573951777.db2.gz PDLBUGYEFTVAIM-ZCFIWIBFSA-N 0 0 184.264 1.992 10 0 ADAERN Cc1nn(C)cc1-c1cccc(N)c1 85017702 573951783 /nfs/dbraw/zinc/95/17/83/573951783.db2.gz RRRABXKROGGTJL-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1nccc1[C@H](O)CC1CC1 87581497 573951789 /nfs/dbraw/zinc/95/17/89/573951789.db2.gz ZSUJSIZENHDAFN-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN CC[C@H](O)c1cncs1 87573010 573950976 /nfs/dbraw/zinc/95/09/76/573950976.db2.gz QNBFBKGQLOOWOL-YFKPBYRVSA-N 0 0 143.211 1.587 10 0 ADAERN Nc1ccccc1-n1ncc2c1CCC2 257910795 573950981 /nfs/dbraw/zinc/95/09/81/573950981.db2.gz WWDVTKOQCNLJBV-UHFFFAOYSA-N 0 0 199.257 1.943 10 0 ADAERN CCn1nc(C)c(N)c1N1CCCC1 85022222 573950987 /nfs/dbraw/zinc/95/09/87/573950987.db2.gz RLUJTWLRJIJVQT-UHFFFAOYSA-N 0 0 194.282 1.394 10 0 ADAERN CCn1nc(C)c(N)c1NC1CC1 85022290 573950994 /nfs/dbraw/zinc/95/09/94/573950994.db2.gz XUECGONKIMSFNL-UHFFFAOYSA-N 0 0 180.255 1.368 10 0 ADAERN CCC[C@@H](C)n1cnc(CNC)n1 233286690 573951001 /nfs/dbraw/zinc/95/10/01/573951001.db2.gz PGIWFRREDBYXSG-MRVPVSSYSA-N 0 0 182.271 1.359 10 0 ADAERN CC1(c2nc(N)cc(C3CC3)n2)CC1 87553741 573951006 /nfs/dbraw/zinc/95/10/06/573951006.db2.gz LPWCMUTUIWXKGD-UHFFFAOYSA-N 0 0 189.262 1.988 10 0 ADAERN COC(=O)[C@H](CC(C)(C)C)[C@@H](C)O 393554205 573951007 /nfs/dbraw/zinc/95/10/07/573951007.db2.gz ZLQOUQPENOEPFF-HTQZYQBOSA-N 0 0 188.267 1.593 10 0 ADAERN CC(=O)CCCc1cc[nH]c1 259026170 573951038 /nfs/dbraw/zinc/95/10/38/573951038.db2.gz AZEYSTHIGCJBTQ-UHFFFAOYSA-N 0 0 151.209 1.926 10 0 ADAERN CCn1nc(C=O)cc1C1CCC1 257915669 573951069 /nfs/dbraw/zinc/95/10/69/573951069.db2.gz QUEXPOFCXOSXIC-UHFFFAOYSA-N 0 0 178.235 1.983 10 0 ADAERN CC(C)S(=O)(=O)N[C@H]1CC1(C)C 81572205 573951094 /nfs/dbraw/zinc/95/10/94/573951094.db2.gz QBZSMNBYDAHDDQ-ZETCQYMHSA-N 0 0 191.296 1.113 10 0 ADAERN COC(CCn1cc(C)nc1C)OC 715083453 573951130 /nfs/dbraw/zinc/95/11/30/573951130.db2.gz HOWZPVZJXUZHFK-UHFFFAOYSA-N 0 0 198.266 1.509 10 0 ADAERN CCCc1nn(C)c(SC)c1N 85021825 573951131 /nfs/dbraw/zinc/95/11/31/573951131.db2.gz VICZBZUSRUJJPP-UHFFFAOYSA-N 0 0 185.296 1.677 10 0 ADAERN CO[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C 81561273 573951138 /nfs/dbraw/zinc/95/11/38/573951138.db2.gz WTMRULXHDQTUCS-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN Cc1nn(C)cc1-c1ccc(N)nc1 85017721 573951140 /nfs/dbraw/zinc/95/11/40/573951140.db2.gz NTKNBTLGJSIEAN-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN OCCc1cnc(-c2ccncc2)o1 257910423 573951141 /nfs/dbraw/zinc/95/11/41/573951141.db2.gz CLBCZZSFIQPGPO-UHFFFAOYSA-N 0 0 190.202 1.271 10 0 ADAERN CC1(C)CCC[C@@H](CCO)[C@@H]1O 238208083 573951147 /nfs/dbraw/zinc/95/11/47/573951147.db2.gz BASKWDZYGLLGIZ-IUCAKERBSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1cc(C)c(C)c(C(=O)CN)c1 257909893 573951175 /nfs/dbraw/zinc/95/11/75/573951175.db2.gz ALXGAIMEIOQKJL-UHFFFAOYSA-N 0 0 177.247 1.753 10 0 ADAERN Nc1noc2c1C[C@@H](F)CC2 257909769 573951182 /nfs/dbraw/zinc/95/11/82/573951182.db2.gz AHCMUGVQAVCXEH-BYPYZUCNSA-N 0 0 156.160 1.084 10 0 ADAERN CC(C)C(C)(C)NC1=NCCO1 238206839 573951206 /nfs/dbraw/zinc/95/12/06/573951206.db2.gz PCYZHAIMLIVCNC-UHFFFAOYSA-N 0 0 170.256 1.397 10 0 ADAERN CCc1ccn(-c2ncccn2)n1 85020218 573951208 /nfs/dbraw/zinc/95/12/08/573951208.db2.gz GSVOHEKVNBGHES-UHFFFAOYSA-N 0 0 174.207 1.225 10 0 ADAERN CC(C)S(=O)(=O)N[C@@H]1CC1(C)C 81572203 573951215 /nfs/dbraw/zinc/95/12/15/573951215.db2.gz QBZSMNBYDAHDDQ-SSDOTTSWSA-N 0 0 191.296 1.113 10 0 ADAERN CC1(C)CCC(=O)[C@@H]2C[C@H](O)[C@@H]21 238206529 573951217 /nfs/dbraw/zinc/95/12/17/573951217.db2.gz NADKVOGXHXVFFZ-CNUIFLNQSA-N 0 0 168.236 1.373 10 0 ADAERN CCC(O)(CC)[C@@H](C)[C@H](C)O 238206897 573951229 /nfs/dbraw/zinc/95/12/29/573951229.db2.gz ZOMOEWVRPOSKGO-YUMQZZPRSA-N 0 0 160.257 1.554 10 0 ADAERN Cc1c(O)cccc1[C@@H](C)CO 257910204 573951253 /nfs/dbraw/zinc/95/12/53/573951253.db2.gz ARWGAENNIXUEER-ZETCQYMHSA-N 0 0 166.220 1.796 10 0 ADAERN CC[C@H]([NH2+]Cc1cnn(C)n1)C(C)C 393654616 573951254 /nfs/dbraw/zinc/95/12/54/573951254.db2.gz DUBSQIVHJIFSSW-JTQLQIEISA-N 0 0 196.298 1.339 10 0 ADAERN CCc1cc(Cl)n[nH]1 85018766 573951264 /nfs/dbraw/zinc/95/12/64/573951264.db2.gz QUTMZQGJLFMYKF-UHFFFAOYSA-N 0 0 130.578 1.626 10 0 ADAERN COc1ccc2c(c1)[C@@H](CON)CO2 258186996 573951287 /nfs/dbraw/zinc/95/12/87/573951287.db2.gz SYFRMRASBSNCSO-SSDOTTSWSA-N 0 0 195.218 1.062 10 0 ADAERN Cc1cc(O)cc(C[C@@H](C)O)c1 257909972 573951309 /nfs/dbraw/zinc/95/13/09/573951309.db2.gz AOFSIESIECCUQW-MRVPVSSYSA-N 0 0 166.220 1.624 10 0 ADAERN O=C1N[C@H]([C@@H]2CCCCS2)CO1 258187570 573951318 /nfs/dbraw/zinc/95/13/18/573951318.db2.gz FJSKKVPIOLPIHS-BQBZGAKWSA-N 0 0 187.264 1.381 10 0 ADAERN CC(C)SC(=O)c1ccnc(N)n1 257910788 573951322 /nfs/dbraw/zinc/95/13/22/573951322.db2.gz LYBSGDWXRZHDJD-UHFFFAOYSA-N 0 0 197.263 1.341 10 0 ADAERN Cc1ccc(C[C@@H](C)O)c(C=O)c1 257910185 573951337 /nfs/dbraw/zinc/95/13/37/573951337.db2.gz ARVRLQOKMLAMDA-SECBINFHSA-N 0 0 178.231 1.731 10 0 ADAERN CO[C@H]1CCC[C@@H]1NC(=O)C(C)C 81561259 573951338 /nfs/dbraw/zinc/95/13/38/573951338.db2.gz LMYALNLJYJNCQK-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN CCCNc1c(N)c(C(C)C)nn1C 85021850 573951376 /nfs/dbraw/zinc/95/13/76/573951376.db2.gz VHFMETZXKDOTRM-UHFFFAOYSA-N 0 0 196.298 1.948 10 0 ADAERN CCc1nn(C)c(N[C@H]2C[C@@H]2C)c1N 85021043 573951397 /nfs/dbraw/zinc/95/13/97/573951397.db2.gz KDKCJWOQWUVKKR-XPUUQOCRSA-N 0 0 194.282 1.385 10 0 ADAERN CC1(C)CCC[C@@H](CCO)[C@H]1O 238208100 573951400 /nfs/dbraw/zinc/95/14/00/573951400.db2.gz BASKWDZYGLLGIZ-DTWKUNHWSA-N 0 0 172.268 1.556 10 0 ADAERN CCc1nn(C)c(Cl)c1C 85018543 573951419 /nfs/dbraw/zinc/95/14/19/573951419.db2.gz FCJMCGCRTSRKRL-UHFFFAOYSA-N 0 0 158.632 1.944 10 0 ADAERN CC(=O)N(C)C[C@H]1C[C@H]2CC[C@@H]1C2 81559078 573951434 /nfs/dbraw/zinc/95/14/34/573951434.db2.gz QZZZEMXEBZAOQM-HBNTYKKESA-N 0 0 181.279 1.901 10 0 ADAERN CC(C)[C@@]1([C@@H](C)O)C=CCCC1=O 238206889 573951436 /nfs/dbraw/zinc/95/14/36/573951436.db2.gz MKNJGPVFGANSOO-MWLCHTKSSA-N 0 0 182.263 1.929 10 0 ADAERN CCCc1ccn(-c2ncccn2)n1 85020216 573951438 /nfs/dbraw/zinc/95/14/38/573951438.db2.gz MJSDSDBUASXRJL-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN CC1=C[C@H](C)C[C@@H]1O 197854104 573951445 /nfs/dbraw/zinc/95/14/45/573951445.db2.gz WOTLBVYNLWFEJE-FSPLSTOPSA-N 0 0 112.172 1.333 10 0 ADAERN CCCCn1cnc2ncnc-2c1N 238207533 573951446 /nfs/dbraw/zinc/95/14/46/573951446.db2.gz UKRWRQVROSOFPN-UHFFFAOYSA-N 0 0 191.238 1.039 10 0 ADAERN C[C@@H]1Cc2ccccc2[C@H](C(=O)[O-])[NH2+]1 85017467 573951447 /nfs/dbraw/zinc/95/14/47/573951447.db2.gz FKDVPCJCOHIVCL-GMSGAONNSA-N 0 0 191.230 1.347 10 0 ADAERN CCC(=O)N(C)C[C@@H]1C[C@@H]1C 81559558 573951450 /nfs/dbraw/zinc/95/14/50/573951450.db2.gz YATBXRFRLKNQCM-YUMQZZPRSA-N 0 0 155.241 1.511 10 0 ADAERN CCOc1ncnc2ccc(N)cc12 81593350 573951471 /nfs/dbraw/zinc/95/14/71/573951471.db2.gz ONBVJCCVJLJAML-UHFFFAOYSA-N 0 0 189.218 1.611 10 0 ADAERN C=C=C1[C@H](CO)C1(C)C 238206517 573951480 /nfs/dbraw/zinc/95/14/80/573951480.db2.gz ONZZDUZLAURNGV-ZETCQYMHSA-N 0 0 124.183 1.346 10 0 ADAERN COC(=O)c1ncn(C(C)C)c1C 259587275 573951491 /nfs/dbraw/zinc/95/14/91/573951491.db2.gz KWDDISZBFYEDSD-UHFFFAOYSA-N 0 0 182.223 1.559 10 0 ADAERN CCc1nn(C)c(NCC(C)C)c1N 85020666 573951507 /nfs/dbraw/zinc/95/15/07/573951507.db2.gz RPYULDSTXGDNKF-UHFFFAOYSA-N 0 0 196.298 1.633 10 0 ADAERN CCCOc1c(N)c(CC)nn1C 85021294 573951520 /nfs/dbraw/zinc/95/15/20/573951520.db2.gz JBQWMEGAAQZJAV-UHFFFAOYSA-N 0 0 183.255 1.354 10 0 ADAERN CCc1cnc(NCC(C)=O)nc1 259249340 573951522 /nfs/dbraw/zinc/95/15/22/573951522.db2.gz LEKIMHYFWSHYJP-UHFFFAOYSA-N 0 0 179.223 1.040 10 0 ADAERN CCc1ccn(-c2ccc(C)nn2)n1 85020481 573951525 /nfs/dbraw/zinc/95/15/25/573951525.db2.gz ILZXVMUVJPDHRX-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN CC(C)c1ccn(-c2ncccn2)n1 85020223 573951531 /nfs/dbraw/zinc/95/15/31/573951531.db2.gz BLYWUQPZZXMGCI-UHFFFAOYSA-N 0 0 188.234 1.786 10 0 ADAERN CCCc1nn(C)c(NC2CC2)c1N 85021518 573951541 /nfs/dbraw/zinc/95/15/41/573951541.db2.gz SMXCJKMVMHWKJF-UHFFFAOYSA-N 0 0 194.282 1.529 10 0 ADAERN Cc1[nH]c(-c2ccc(F)cn2)nc1O 235836172 573951553 /nfs/dbraw/zinc/95/15/53/573951553.db2.gz IXQQAXJAHPZLQU-UHFFFAOYSA-N 0 0 193.181 1.625 10 0 ADAERN CC1(C)CCC[C@@H](O)[C@@H]1CCO 238208484 573951554 /nfs/dbraw/zinc/95/15/54/573951554.db2.gz ZFZJLZGYDUHGBZ-DTWKUNHWSA-N 0 0 172.268 1.556 10 0 ADAERN CCc1nn(C)c(N[C@H]2C[C@H]2C)c1N 85021047 573951555 /nfs/dbraw/zinc/95/15/55/573951555.db2.gz KDKCJWOQWUVKKR-SVRRBLITSA-N 0 0 194.282 1.385 10 0 ADAERN COC[C@H](O)C1(C)CCCC1 123176392 573951823 /nfs/dbraw/zinc/95/18/23/573951823.db2.gz CHOFTSOOCJQIDP-QMMMGPOBSA-N 0 0 158.241 1.574 10 0 ADAERN CC1(C)CCCO[C@H]1O 238207669 573951559 /nfs/dbraw/zinc/95/15/59/573951559.db2.gz KLNKIBKZWMDVKU-ZCFIWIBFSA-N 0 0 130.187 1.141 10 0 ADAERN Nc1nccc(-c2ccccc2C=O)n1 257910890 573951573 /nfs/dbraw/zinc/95/15/73/573951573.db2.gz WXBXPKNRZLTIRR-UHFFFAOYSA-N 0 0 199.213 1.538 10 0 ADAERN CC(=O)[C@@H]1C[C@@]1(C(C)=O)C(C)C 238206766 573951588 /nfs/dbraw/zinc/95/15/88/573951588.db2.gz QHJLOOIRJYCOQY-UWVGGRQHSA-N 0 0 168.236 1.827 10 0 ADAERN CC[C@H](C)NS(=O)(=O)C(C)(C)C 81567775 573951594 /nfs/dbraw/zinc/95/15/94/573951594.db2.gz MDGOLYJXKUXAST-ZETCQYMHSA-N 0 0 193.312 1.503 10 0 ADAERN CCc1[nH]nc(Cl)c1C 85018750 573951596 /nfs/dbraw/zinc/95/15/96/573951596.db2.gz FXNVWWXHONFZAG-UHFFFAOYSA-N 0 0 144.605 1.934 10 0 ADAERN FC(F)c1ccn(-c2ncccn2)n1 85020219 573951600 /nfs/dbraw/zinc/95/16/00/573951600.db2.gz LTNGBBFZONMLIX-UHFFFAOYSA-N 0 0 196.160 1.600 10 0 ADAERN C[C@H](C[NH3+])Cc1ccc(C(=O)[O-])cc1 259248899 573951608 /nfs/dbraw/zinc/95/16/08/573951608.db2.gz AEDFPIZTPBLUHX-QMMMGPOBSA-N 0 0 193.246 1.522 10 0 ADAERN Cc1nccnc1-c1ccon1 235834473 573951614 /nfs/dbraw/zinc/95/16/14/573951614.db2.gz FFDHQQZYQOLUKI-UHFFFAOYSA-N 0 0 161.164 1.440 10 0 ADAERN FC(F)(F)C1(c2cc[nH]c2)COC1 259248652 573951626 /nfs/dbraw/zinc/95/16/26/573951626.db2.gz NMPFNMHKMUZGQQ-UHFFFAOYSA-N 0 0 191.152 1.845 10 0 ADAERN CCC(=O)N1[C@H]2CC[C@@H]1CC(=O)C2 238206848 573951634 /nfs/dbraw/zinc/95/16/34/573951634.db2.gz FZLOEUYQEBEVTH-OCAPTIKFSA-N 0 0 181.235 1.119 10 0 ADAERN CCCc1[nH]n(C)c(=S)c1N 85021813 573951642 /nfs/dbraw/zinc/95/16/42/573951642.db2.gz BUCURFQETYCREQ-UHFFFAOYSA-N 0 0 171.269 1.244 10 0 ADAERN Cc1nc(CC(=O)C(C)(C)O)cs1 235834903 573951658 /nfs/dbraw/zinc/95/16/58/573951658.db2.gz LZIMWZYLRSANIT-UHFFFAOYSA-N 0 0 199.275 1.334 10 0 ADAERN OCc1ccnc(-c2cncs2)n1 87575255 573951659 /nfs/dbraw/zinc/95/16/59/573951659.db2.gz UBDMZMJLEOFYDI-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN CC1(C)C(=O)N[C@@H]1C[Si](C)(C)C 238207245 573951660 /nfs/dbraw/zinc/95/16/60/573951660.db2.gz FATBAVAZVPHAQF-SSDOTTSWSA-N 0 0 185.343 1.849 10 0 ADAERN Cc1c[nH]c(-c2cncs2)n1 87574943 573951668 /nfs/dbraw/zinc/95/16/68/573951668.db2.gz QXZRSLIDXBLALS-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN CCSc1c(N)c(CC)nn1C 85021418 573951677 /nfs/dbraw/zinc/95/16/77/573951677.db2.gz KJQZYMYZLZRJAZ-UHFFFAOYSA-N 0 0 185.296 1.677 10 0 ADAERN Cc1nn(C)cc1-c1cnc(N)s1 85017696 573951681 /nfs/dbraw/zinc/95/16/81/573951681.db2.gz PZHWLWSFHXKKBF-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1nc(CC2CC2)nc(N)c1F 87583510 573951682 /nfs/dbraw/zinc/95/16/82/573951682.db2.gz FXWIEMDIAZSNAG-UHFFFAOYSA-N 0 0 181.214 1.459 10 0 ADAERN Cc1cnc(CNC(=O)C(C)C)cn1 81561374 573951683 /nfs/dbraw/zinc/95/16/83/573951683.db2.gz BIUVQJPRCOYAIF-UHFFFAOYSA-N 0 0 193.250 1.057 10 0 ADAERN c1ccn2c([C@@H]3CCOC3)nnc2c1 257911170 573951690 /nfs/dbraw/zinc/95/16/90/573951690.db2.gz GXNHUXHEWZYKEJ-MRVPVSSYSA-N 0 0 189.218 1.233 10 0 ADAERN OC[C@H](F)C[C@H]1CCCSC1 257910115 573953204 /nfs/dbraw/zinc/95/32/04/573953204.db2.gz QDZIKXYXHFTBJB-HTQZYQBOSA-N 0 0 178.272 1.850 10 0 ADAERN Cc1ccnc(N)c1[C@@H](O)CC1CC1 87581107 573953231 /nfs/dbraw/zinc/95/32/31/573953231.db2.gz FJYKODCDCZGCEH-VIFPVBQESA-N 0 0 192.262 1.806 10 0 ADAERN CCc1nn(C)c(N[C@@H]2C[C@H]2C)c1N 85021045 573953245 /nfs/dbraw/zinc/95/32/45/573953245.db2.gz KDKCJWOQWUVKKR-HTRCEHHLSA-N 0 0 194.282 1.385 10 0 ADAERN C[C@H]1Cc2ccccc2[C@@H](C(=O)[O-])[NH2+]1 85017471 573953249 /nfs/dbraw/zinc/95/32/49/573953249.db2.gz FKDVPCJCOHIVCL-XVKPBYJWSA-N 0 0 191.230 1.347 10 0 ADAERN Cc1ccc2c(c1C=O)CCO2 257910220 573953282 /nfs/dbraw/zinc/95/32/82/573953282.db2.gz ASJAASDDGMTABW-UHFFFAOYSA-N 0 0 162.188 1.742 10 0 ADAERN Cc1nc(CC2CC2)ncc1[C@H](C)O 87583798 573953284 /nfs/dbraw/zinc/95/32/84/573953284.db2.gz RCORCYPFHMBJQI-QMMMGPOBSA-N 0 0 192.262 1.791 10 0 ADAERN C[C@@H](C[NH3+])Cc1ccc(C(=O)[O-])cc1 259248895 573953305 /nfs/dbraw/zinc/95/33/05/573953305.db2.gz AEDFPIZTPBLUHX-MRVPVSSYSA-N 0 0 193.246 1.522 10 0 ADAERN CC(C)[C@H](/C=C/C(=O)[O-])[NH+](C)C 259249300 573953354 /nfs/dbraw/zinc/95/33/54/573953354.db2.gz BJUPWCRRWPUJGV-GJIOHYHPSA-N 0 0 171.240 1.213 10 0 ADAERN CCC(O)(CC)[C@H](C)C(C)=O 238207396 573953373 /nfs/dbraw/zinc/95/33/73/573953373.db2.gz KWQIIFYHLCUFAJ-SSDOTTSWSA-N 0 0 158.241 1.763 10 0 ADAERN CC(C)Oc1c(N)c(C(C)C)nn1C 85022104 573953389 /nfs/dbraw/zinc/95/33/89/573953389.db2.gz RTURDGLMXBNDAX-UHFFFAOYSA-N 0 0 197.282 1.913 10 0 ADAERN Nc1c(C2CCC2)cnnc1Cl 257915557 573953398 /nfs/dbraw/zinc/95/33/98/573953398.db2.gz JKMQELWBRSHDGW-UHFFFAOYSA-N 0 0 183.642 1.980 10 0 ADAERN CCc1nn(C)c(SC)c1N 85021450 573953404 /nfs/dbraw/zinc/95/34/04/573953404.db2.gz ZWJBWKGAAKNWQS-UHFFFAOYSA-N 0 0 171.269 1.287 10 0 ADAERN OC1CC(c2nc(CC3CC3)no2)C1 87584178 573953416 /nfs/dbraw/zinc/95/34/16/573953416.db2.gz PQXKTUNOBFSJBO-UHFFFAOYSA-N 0 0 194.234 1.260 10 0 ADAERN CC(C)[C@]1(C(=O)[O-])C[C@@]1(C)C[NH3+] 238207498 573953433 /nfs/dbraw/zinc/95/34/33/573953433.db2.gz CSYKZORRTRFRQV-IUCAKERBSA-N 0 0 171.240 1.082 10 0 ADAERN CCc1nn(C)c(N(C)C2CC2)c1N 85020770 573953434 /nfs/dbraw/zinc/95/34/34/573953434.db2.gz MBTATEAEIZWLCY-UHFFFAOYSA-N 0 0 194.282 1.163 10 0 ADAERN C=Cc1nc(CC2CC2)no1 87580002 573953453 /nfs/dbraw/zinc/95/34/53/573953453.db2.gz ZDUZAIIVFHTNCO-UHFFFAOYSA-N 0 0 150.181 1.665 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)C=C2C(N)=O 238215414 573953459 /nfs/dbraw/zinc/95/34/59/573953459.db2.gz HFIWJNCEJRJSFP-KCJUWKMLSA-N 0 0 179.263 1.854 10 0 ADAERN OCc1csc(-c2cncs2)n1 87575496 573953472 /nfs/dbraw/zinc/95/34/72/573953472.db2.gz MBJTVTSKXMMMDO-UHFFFAOYSA-N 0 0 198.272 1.759 10 0 ADAERN Cc1nc(OC(C)C)c[nH]1 238207079 573953485 /nfs/dbraw/zinc/95/34/85/573953485.db2.gz LTVJAIIZVVFLDI-UHFFFAOYSA-N 0 0 140.186 1.505 10 0 ADAERN CC(=O)CN1C[C@@H](C(C)(C)C)NC1=O 259248537 573953493 /nfs/dbraw/zinc/95/34/93/573953493.db2.gz DEEKFDRNLRIVKV-QMMMGPOBSA-N 0 0 198.266 1.015 10 0 ADAERN COC(=O)C(F)(F)C1CC1 257910212 573953494 /nfs/dbraw/zinc/95/34/94/573953494.db2.gz AJSNKWUSSWYNJG-UHFFFAOYSA-N 0 0 150.124 1.205 10 0 ADAERN Clc1n[nH]c(-c2cncs2)n1 87575482 573953500 /nfs/dbraw/zinc/95/35/00/573953500.db2.gz MQAYYCHALGRGJQ-UHFFFAOYSA-N 0 0 186.627 1.582 10 0 ADAERN CC1(C)[C@@H](CO)CCC12OCCO2 238206693 573953513 /nfs/dbraw/zinc/95/35/13/573953513.db2.gz AAGXUXLHHNDYRS-MRVPVSSYSA-N 0 0 186.251 1.158 10 0 ADAERN Clc1nc(-c2cncs2)no1 87574940 573953520 /nfs/dbraw/zinc/95/35/20/573953520.db2.gz WDWBYAGXILFVBJ-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN COCc1ccn(C(C)(C)C)n1 85020170 573953524 /nfs/dbraw/zinc/95/35/24/573953524.db2.gz ZVECMOQKMLNKEG-UHFFFAOYSA-N 0 0 168.240 1.785 10 0 ADAERN OC[C@H]1CC[C@@H]1c1ccccc1O 257910167 573953574 /nfs/dbraw/zinc/95/35/74/573953574.db2.gz QENPBSGBCQRTFO-BDAKNGLRSA-N 0 0 178.231 1.878 10 0 ADAERN CC1(C)CCCO[C@@H]1O 238207646 573953575 /nfs/dbraw/zinc/95/35/75/573953575.db2.gz KLNKIBKZWMDVKU-LURJTMIESA-N 0 0 130.187 1.141 10 0 ADAERN O=Cc1ccc(Cc2c[nH]cn2)cc1 104100042 573953583 /nfs/dbraw/zinc/95/35/83/573953583.db2.gz VWIUECCYSFARAZ-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN CCc1nn(C)c(NCC2CC2)c1N 85020680 573953585 /nfs/dbraw/zinc/95/35/85/573953585.db2.gz NAMISEKYJUZOIZ-UHFFFAOYSA-N 0 0 194.282 1.387 10 0 ADAERN CNc1ccnc(CC2CC2)n1 87583473 573953594 /nfs/dbraw/zinc/95/35/94/573953594.db2.gz BQTPWTUMKIKELR-UHFFFAOYSA-N 0 0 163.224 1.471 10 0 ADAERN O=Cc1c[nH]c(CC2CC2)n1 87584191 573953611 /nfs/dbraw/zinc/95/36/11/573953611.db2.gz NIIPDEKDKBPAOJ-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN CC(=O)c1cc(C2CCC2)n(C)n1 257915620 573953626 /nfs/dbraw/zinc/95/36/26/573953626.db2.gz QSVBZKGILYEQJE-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN Cc1nc(CC2CC2)nc(N)c1C 87583435 573953628 /nfs/dbraw/zinc/95/36/28/573953628.db2.gz SXFRMVVLCILBFO-UHFFFAOYSA-N 0 0 177.251 1.628 10 0 ADAERN CCc1nn(C)c(NC2CC2)c1N 85020664 573953636 /nfs/dbraw/zinc/95/36/36/573953636.db2.gz VIDWLSLEJFYCFH-UHFFFAOYSA-N 0 0 180.255 1.139 10 0 ADAERN C[C@H](CO)c1ccc(O)c(F)c1 257910002 573953639 /nfs/dbraw/zinc/95/36/39/573953639.db2.gz APCQMEJKYQXYFQ-ZCFIWIBFSA-N 0 0 170.183 1.627 10 0 ADAERN CCC(O)(CC)[C@H](C)[C@H](C)O 238207489 573953641 /nfs/dbraw/zinc/95/36/41/573953641.db2.gz ZOMOEWVRPOSKGO-SFYZADRCSA-N 0 0 160.257 1.554 10 0 ADAERN CC(=O)[C@H]1C[C@@]1(C(C)=O)C(C)C 238206717 573953667 /nfs/dbraw/zinc/95/36/67/573953667.db2.gz QHJLOOIRJYCOQY-ZJUUUORDSA-N 0 0 168.236 1.827 10 0 ADAERN C[C@@H](CO)c1ccc(O)c(F)c1 257910000 573953674 /nfs/dbraw/zinc/95/36/74/573953674.db2.gz APCQMEJKYQXYFQ-LURJTMIESA-N 0 0 170.183 1.627 10 0 ADAERN CC(C)[C@@](O)(C1=CCCC1)[C@H](C)O 238206599 573953676 /nfs/dbraw/zinc/95/36/76/573953676.db2.gz NEUDNSKLRFLHIR-ONGXEEELSA-N 0 0 184.279 1.865 10 0 ADAERN CC(C)c1nc(N)nc(CC2CC2)n1 87584187 573953689 /nfs/dbraw/zinc/95/36/89/573953689.db2.gz WWFGACYDAGMNTR-UHFFFAOYSA-N 0 0 192.266 1.530 10 0 ADAERN C[C@H]1SCC[C@]1(O)C(F)(F)F 235674372 573953691 /nfs/dbraw/zinc/95/36/91/573953691.db2.gz MTUVYYUJVGXDKE-RFZPGFLSSA-N 0 0 186.198 1.805 10 0 ADAERN Cc1cnc(Oc2cccnc2)n1C 257909691 573953699 /nfs/dbraw/zinc/95/36/99/573953699.db2.gz PPIDCURSNZDPPO-UHFFFAOYSA-N 0 0 189.218 1.916 10 0 ADAERN Cc1ccc(F)c(O)c1CON 257915555 573953704 /nfs/dbraw/zinc/95/37/04/573953704.db2.gz BMNPODRFLYPXRH-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN CC(=O)CCc1nc(C)cc(C)n1 259026953 573953706 /nfs/dbraw/zinc/95/37/06/573953706.db2.gz GTOQDWAAMSLEDM-UHFFFAOYSA-N 0 0 178.235 1.615 10 0 ADAERN CC(C)[C@@](O)(C1=CCCC1)[C@@H](C)O 238206523 573953707 /nfs/dbraw/zinc/95/37/07/573953707.db2.gz NEUDNSKLRFLHIR-KOLCDFICSA-N 0 0 184.279 1.865 10 0 ADAERN CC1(C)CCC[C@@H](O)[C@@]1(C)O 238208577 573953713 /nfs/dbraw/zinc/95/37/13/573953713.db2.gz RJGDGBWNTNWYDJ-VXNVDRBHSA-N 0 0 158.241 1.308 10 0 ADAERN OCc1cc(O)c(F)cc1F 258026787 573953726 /nfs/dbraw/zinc/95/37/26/573953726.db2.gz OSGSFCUDDYVOIG-UHFFFAOYSA-N 0 0 160.119 1.163 10 0 ADAERN Nc1nc(CC2CC2)nc2c1CCC2 87583417 573953736 /nfs/dbraw/zinc/95/37/36/573953736.db2.gz ODOYGMPKGPEUKB-UHFFFAOYSA-N 0 0 189.262 1.500 10 0 ADAERN C[C@@H](N)C(F)(F)c1cccc(O)c1 257910273 573953745 /nfs/dbraw/zinc/95/37/45/573953745.db2.gz QFQBDNGCZUDDES-ZCFIWIBFSA-N 0 0 187.189 1.831 10 0 ADAERN COC(=O)CC1(CON)CCCC1 257910294 573953755 /nfs/dbraw/zinc/95/37/55/573953755.db2.gz QFWNHRIDFWWMKP-UHFFFAOYSA-N 0 0 187.239 1.000 10 0 ADAERN CCCn1nc(SC)cc1N 87584266 573953771 /nfs/dbraw/zinc/95/37/71/573953771.db2.gz APQRQQFNIHGNRE-UHFFFAOYSA-N 0 0 171.269 1.597 10 0 ADAERN Cn1ccnc1C(=O)CC1CC1 87580665 573953775 /nfs/dbraw/zinc/95/37/75/573953775.db2.gz QECBXERHQIDYLN-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN Cc1cc(O)cc(C[C@H](C)O)c1 257909975 573953784 /nfs/dbraw/zinc/95/37/84/573953784.db2.gz AOFSIESIECCUQW-QMMMGPOBSA-N 0 0 166.220 1.624 10 0 ADAERN OCc1csc(CC2CC2)n1 87584210 573953785 /nfs/dbraw/zinc/95/37/85/573953785.db2.gz DAWKYDAVUILQHP-UHFFFAOYSA-N 0 0 169.249 1.588 10 0 ADAERN CCc1nn(C)c(N(C)C(C)C)c1N 85020621 573953801 /nfs/dbraw/zinc/95/38/01/573953801.db2.gz SCWSNGPKFFDLFK-UHFFFAOYSA-N 0 0 196.298 1.409 10 0 ADAERN CCn1nc(N)cc1C1CCC1 257909785 573953804 /nfs/dbraw/zinc/95/38/04/573953804.db2.gz AHEBTMFAGMRJCH-UHFFFAOYSA-N 0 0 165.240 1.753 10 0 ADAERN CCCc1nn(C)c(NC(C)C)c1N 85021511 573953810 /nfs/dbraw/zinc/95/38/10/573953810.db2.gz LIBODNZSDVCOBA-UHFFFAOYSA-N 0 0 196.298 1.775 10 0 ADAERN CN(C)c1ccc(F)cc1CNO 258189692 573953818 /nfs/dbraw/zinc/95/38/18/573953818.db2.gz XJGCQCJZVZMMHR-UHFFFAOYSA-N 0 0 184.214 1.371 10 0 ADAERN CCCCCN1CCCN(N)C1=O 127687805 573953827 /nfs/dbraw/zinc/95/38/27/573953827.db2.gz CGNAYWGWMAPJJP-UHFFFAOYSA-N 0 0 185.271 1.178 10 0 ADAERN COCc1cc(Cl)n[nH]1 85018758 573953843 /nfs/dbraw/zinc/95/38/43/573953843.db2.gz LNRXPRLLXQCYCP-UHFFFAOYSA-N 0 0 146.577 1.210 10 0 ADAERN CNc1nc(CC2CC2)ns1 87584202 573953867 /nfs/dbraw/zinc/95/38/67/573953867.db2.gz ZGQBGIYOWXSXNG-UHFFFAOYSA-N 0 0 169.253 1.532 10 0 ADAERN CCc1nn(C)c(NC2CCC2)c1N 85021040 573953868 /nfs/dbraw/zinc/95/38/68/573953868.db2.gz JKMQRZIUYZOHGM-UHFFFAOYSA-N 0 0 194.282 1.529 10 0 ADAERN CC(C)Cc1nc(C=O)co1 258188856 573953870 /nfs/dbraw/zinc/95/38/70/573953870.db2.gz SKOIYHZQRNUUSA-UHFFFAOYSA-N 0 0 153.181 1.686 10 0 ADAERN CCc1nn(C)c(NC(C)C)c1N 85020654 573953874 /nfs/dbraw/zinc/95/38/74/573953874.db2.gz GKCOAKCOLKQUJR-UHFFFAOYSA-N 0 0 182.271 1.385 10 0 ADAERN O[C@H](CC1CC1)c1cncnc1 87581175 573953882 /nfs/dbraw/zinc/95/38/82/573953882.db2.gz HKILUMHIMAWOJT-SECBINFHSA-N 0 0 164.208 1.310 10 0 ADAERN CCn1cc(C(=O)CC2CC2)cn1 87580761 573953887 /nfs/dbraw/zinc/95/38/87/573953887.db2.gz MDCHKPXJPZKQGT-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCC[C@@H](C2CC2)C1 81643519 573953910 /nfs/dbraw/zinc/95/39/10/573953910.db2.gz UZXLZKNHIZEGHV-SCZZXKLOSA-N 0 0 183.251 1.369 10 0 ADAERN CCc1nn(C)c(N[C@@H]2C[C@@H]2C)c1N 85021042 573953911 /nfs/dbraw/zinc/95/39/11/573953911.db2.gz KDKCJWOQWUVKKR-POYBYMJQSA-N 0 0 194.282 1.385 10 0 ADAERN CCc1nn(C)c(OC(C)(C)C)c1N 85021270 573953918 /nfs/dbraw/zinc/95/39/18/573953918.db2.gz NUYWYQRWEVAKEL-UHFFFAOYSA-N 0 0 197.282 1.742 10 0 ADAERN CC(C)C[C@@H]1CC(C=O)=NO1 257910179 573953919 /nfs/dbraw/zinc/95/39/19/573953919.db2.gz AJQUEYVGFGYUJA-MRVPVSSYSA-N 0 0 155.197 1.376 10 0 ADAERN COCc1ccn(-c2ccccn2)n1 85020086 573953923 /nfs/dbraw/zinc/95/39/23/573953923.db2.gz AYMUUCVKJHORAX-UHFFFAOYSA-N 0 0 189.218 1.414 10 0 ADAERN CCN(C)c1c(N)c(C(C)C)nn1C 85021925 573953935 /nfs/dbraw/zinc/95/39/35/573953935.db2.gz MURRBKTZGYJRMM-UHFFFAOYSA-N 0 0 196.298 1.582 10 0 ADAERN Nc1nc(CC2CC2)nc(C2CC2)n1 87584188 573953967 /nfs/dbraw/zinc/95/39/67/573953967.db2.gz GFWOQBUIRJNICT-UHFFFAOYSA-N 0 0 190.250 1.284 10 0 ADAERN CCCNc1c(N)c(CC)nn1C 85020649 573953972 /nfs/dbraw/zinc/95/39/72/573953972.db2.gz HOFVRHASFYPGGB-UHFFFAOYSA-N 0 0 182.271 1.387 10 0 ADAERN Cc1nc(CC2CC2)ncc1[C@@H](C)O 87583796 573953983 /nfs/dbraw/zinc/95/39/83/573953983.db2.gz RCORCYPFHMBJQI-MRVPVSSYSA-N 0 0 192.262 1.791 10 0 ADAERN Cc1cc(N)nc(CC2CC2)n1 87583420 573953988 /nfs/dbraw/zinc/95/39/88/573953988.db2.gz LHLRCDBFOLGFJE-UHFFFAOYSA-N 0 0 163.224 1.320 10 0 ADAERN CCn1nc(C)c(N)c1NC(C)C 85022280 573953989 /nfs/dbraw/zinc/95/39/89/573953989.db2.gz BOXMXOBXNRSUFS-UHFFFAOYSA-N 0 0 182.271 1.614 10 0 ADAERN C[C@@H]1COc2cccc(CCO)c21 257910395 573953993 /nfs/dbraw/zinc/95/39/93/573953993.db2.gz BICSSHDSMAXPOH-MRVPVSSYSA-N 0 0 178.231 1.717 10 0 ADAERN Cc1ccc(O)c(C(=O)CN(C)C)c1 104097149 573953994 /nfs/dbraw/zinc/95/39/94/573953994.db2.gz UAXSKCBVBGTUPW-UHFFFAOYSA-N 0 0 193.246 1.445 10 0 ADAERN Cc1nc(Cl)nc(C)c1CO 257909883 573953998 /nfs/dbraw/zinc/95/39/98/573953998.db2.gz IETPKZYXZYQQCW-UHFFFAOYSA-N 0 0 172.615 1.239 10 0 ADAERN CCSc1cc(N)on1 87584366 573954012 /nfs/dbraw/zinc/95/40/12/573954012.db2.gz QOZBZLSRPQQZQF-UHFFFAOYSA-N 0 0 144.199 1.369 10 0 ADAERN CC(C)C[C@H]1CC(C=O)=NO1 257910195 573954017 /nfs/dbraw/zinc/95/40/17/573954017.db2.gz AJQUEYVGFGYUJA-QMMMGPOBSA-N 0 0 155.197 1.376 10 0 ADAERN CCOC(=O)C1(c2ccco2)CC1 257910218 573954025 /nfs/dbraw/zinc/95/40/25/573954025.db2.gz QFCFLZXWLZIRTC-UHFFFAOYSA-N 0 0 180.203 1.874 10 0 ADAERN C[C@@H](O)c1nc(CC2CC2)no1 87583995 573954035 /nfs/dbraw/zinc/95/40/35/573954035.db2.gz YFYXHYWEWCMGIW-RXMQYKEDSA-N 0 0 168.196 1.075 10 0 ADAERN CCC(=O)C(C(N)=O)c1ccccc1 238210640 573954055 /nfs/dbraw/zinc/95/40/55/573954055.db2.gz BKZUFQYYNAXFRU-KTKRTIGZSA-N 0 0 191.230 1.851 10 0 ADAERN OCc1cnc(-c2cncs2)nc1 87575256 573953193 /nfs/dbraw/zinc/95/31/93/573953193.db2.gz BUABULPWUJAEKF-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN Cc1ccc(C(=O)[C@H](O)C2CC2)cc1 235842662 573955306 /nfs/dbraw/zinc/95/53/06/573955306.db2.gz CGZSNONWSVOJKU-GFCCVEGCSA-N 0 0 190.242 1.949 10 0 ADAERN O=Cc1noc2c1CC[C@@H]2F 257911534 573955308 /nfs/dbraw/zinc/95/53/08/573955308.db2.gz ALTHDVZNILOPIB-YFKPBYRVSA-N 0 0 155.128 1.444 10 0 ADAERN CCCCNc1ncnc2ocnc12 238210571 573955311 /nfs/dbraw/zinc/95/53/11/573955311.db2.gz LCBWCLZGBJNNMA-UHFFFAOYSA-N 0 0 192.222 1.830 10 0 ADAERN CCCCNc1ncc(F)c(=O)n1C 238210238 573955315 /nfs/dbraw/zinc/95/53/15/573955315.db2.gz COABGZDVDJPIBZ-UHFFFAOYSA-N 0 0 199.229 1.131 10 0 ADAERN CO[C@H]1CCc2ccc(N)cc21 258462035 573955326 /nfs/dbraw/zinc/95/53/26/573955326.db2.gz HFGYUJJSDLLVNR-JTQLQIEISA-N 0 0 163.220 1.903 10 0 ADAERN COC(CC1CC1)(OC)OC 87583367 573955337 /nfs/dbraw/zinc/95/53/37/573955337.db2.gz SDSFNLBSWUEZQA-UHFFFAOYSA-N 0 0 160.213 1.380 10 0 ADAERN CCn1nc(C)c(N)c1NCC1CC1 85022303 573955353 /nfs/dbraw/zinc/95/53/53/573955353.db2.gz WSBLFLIYGNOZMW-UHFFFAOYSA-N 0 0 194.282 1.616 10 0 ADAERN CC(=O)c1cnc(CC2CC2)nc1C 87583727 573954476 /nfs/dbraw/zinc/95/44/76/573954476.db2.gz NUEBIVSRWNHJEW-UHFFFAOYSA-N 0 0 190.246 1.940 10 0 ADAERN CC(C)Oc1cccc(C(N)=S)n1 81618202 573954477 /nfs/dbraw/zinc/95/44/77/573954477.db2.gz BAAGLTZBTVNJPO-UHFFFAOYSA-N 0 0 196.275 1.503 10 0 ADAERN CC1(C)[C@@H](O)CCCCC[C@@H]1O 238209321 573954483 /nfs/dbraw/zinc/95/44/83/573954483.db2.gz PBTCTMXANAAEFF-IUCAKERBSA-N 0 0 172.268 1.699 10 0 ADAERN CCc1c(C)nc(CC2CC2)nc1N 87583422 573954486 /nfs/dbraw/zinc/95/44/86/573954486.db2.gz ASKWLHSPYZFXGL-UHFFFAOYSA-N 0 0 191.278 1.882 10 0 ADAERN CC1(C)C(C2CC2)=NO[C@@H]1O 238209984 573954498 /nfs/dbraw/zinc/95/44/98/573954498.db2.gz FXKJCVQDDCRWML-ZETCQYMHSA-N 0 0 155.197 1.127 10 0 ADAERN CCN(C)c1cccc(C(N)=S)n1 81614630 573954501 /nfs/dbraw/zinc/95/45/01/573954501.db2.gz OSGAJLLPDBKRHX-UHFFFAOYSA-N 0 0 195.291 1.172 10 0 ADAERN CC(=C=O)NC(=O)c1ccccc1 238208863 573954513 /nfs/dbraw/zinc/95/45/13/573954513.db2.gz AWWCCVQVMAISIT-UHFFFAOYSA-N 0 0 175.187 1.152 10 0 ADAERN O=Cc1ccnc(CC2CC2)n1 87583723 573954515 /nfs/dbraw/zinc/95/45/15/573954515.db2.gz LYFNKNUGXBSJIO-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN CC1=C=CCCC(=O)[C@H](O)CCC1 238215449 573954525 /nfs/dbraw/zinc/95/45/25/573954525.db2.gz VERHABPQEKRTJL-JDLXGLENSA-N 0 0 180.247 1.982 10 0 ADAERN Cc1cnc(N)c([C@H](O)CC2CC2)c1 87581378 573954530 /nfs/dbraw/zinc/95/45/30/573954530.db2.gz SGHFAAPBHXCAPM-SNVBAGLBSA-N 0 0 192.262 1.806 10 0 ADAERN Cn1cc(N)c(-c2ccc(N)cc2)c1 258188816 573954540 /nfs/dbraw/zinc/95/45/40/573954540.db2.gz UCIPTPYUSXUCOZ-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN CCC(CC)CN1CCCN(N)C1=O 127705498 573954548 /nfs/dbraw/zinc/95/45/48/573954548.db2.gz NQQFAFGBACUPJD-UHFFFAOYSA-N 0 0 199.298 1.424 10 0 ADAERN O=C(CC1CC1)c1cncnc1 87580861 573954563 /nfs/dbraw/zinc/95/45/63/573954563.db2.gz NHJPFAIGRQJKKJ-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN COc1c(O)cccc1CC1(O)CC1 258189651 573954565 /nfs/dbraw/zinc/95/45/65/573954565.db2.gz XHXHHHJYLJGFMF-UHFFFAOYSA-N 0 0 194.230 1.468 10 0 ADAERN C1CCC([C@H]2CCON2)C1 258462001 573954574 /nfs/dbraw/zinc/95/45/74/573954574.db2.gz HELQTWIZGHJUER-MRVPVSSYSA-N 0 0 141.214 1.470 10 0 ADAERN CCn1[nH]c(C)c(N)c1=S 85023020 573954606 /nfs/dbraw/zinc/95/46/06/573954606.db2.gz KMYDTJFCQAVDOR-UHFFFAOYSA-N 0 0 157.242 1.082 10 0 ADAERN CCC1CC[NH+]([C@H](C)CC(=O)[O-])CC1 42447012 573954626 /nfs/dbraw/zinc/95/46/26/573954626.db2.gz YLKYXNWGZVGTQW-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)[C@@H](O)[C@]1(C)CCOC1 642825230 573954627 /nfs/dbraw/zinc/95/46/27/573954627.db2.gz UOAMCJNZMILQPQ-RKDXNWHRSA-N 0 0 158.241 1.430 10 0 ADAERN Cn1ccnc1[C@@H](O)CC1CC1 87581031 573954629 /nfs/dbraw/zinc/95/46/29/573954629.db2.gz UASGLAOCOBFEDU-QMMMGPOBSA-N 0 0 166.224 1.254 10 0 ADAERN C[N@@H+]1CC[C@@H](CC(C)(C)CC(=O)[O-])C1 259252112 573954636 /nfs/dbraw/zinc/95/46/36/573954636.db2.gz WRUGUOSWEPSFAA-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@@H](C)NC=S 104087218 573954643 /nfs/dbraw/zinc/95/46/43/573954643.db2.gz UKAHSLCSRSPHGJ-RXMQYKEDSA-N 0 0 117.217 1.332 10 0 ADAERN COCC[C@@H](C)C(=O)c1cn(C)cn1 234668529 573954653 /nfs/dbraw/zinc/95/46/53/573954653.db2.gz XBKQEFPLZYHAJO-MRVPVSSYSA-N 0 0 196.250 1.275 10 0 ADAERN O[C@@H](CC1CC1)c1cncnc1 87581177 573954654 /nfs/dbraw/zinc/95/46/54/573954654.db2.gz HKILUMHIMAWOJT-VIFPVBQESA-N 0 0 164.208 1.310 10 0 ADAERN C[C@H]1CN(C)c2cccc(O)c2N1 259249833 573954662 /nfs/dbraw/zinc/95/46/62/573954662.db2.gz NOVQFRHKCAFTCO-ZETCQYMHSA-N 0 0 178.235 1.642 10 0 ADAERN CCCCNc1nc(C)c(N)c(C)n1 238209619 573954681 /nfs/dbraw/zinc/95/46/81/573954681.db2.gz CDVPVHFEALLYMX-UHFFFAOYSA-N 0 0 194.282 1.888 10 0 ADAERN CCn1nc(C)c(N)c1N[C@H]1C[C@H]1C 85022657 573954689 /nfs/dbraw/zinc/95/46/89/573954689.db2.gz VVQWXSFAQAMFMI-SVRRBLITSA-N 0 0 194.282 1.614 10 0 ADAERN CCn1nc(C)c(N)c1SC 85023044 573954694 /nfs/dbraw/zinc/95/46/94/573954694.db2.gz MDUUVGUFVWIOQN-UHFFFAOYSA-N 0 0 171.269 1.516 10 0 ADAERN CC(C)(O)C(=O)N[C@]1(C)CC1(C)C 642825244 573954701 /nfs/dbraw/zinc/95/47/01/573954701.db2.gz VDBQDWDHULNIJZ-SNVBAGLBSA-N 0 0 185.267 1.062 10 0 ADAERN CCCCNc1nc(=N)ss1 238209419 573954707 /nfs/dbraw/zinc/95/47/07/573954707.db2.gz OALVHNBSYYYMBT-UHFFFAOYSA-N 0 0 189.309 1.896 10 0 ADAERN O=Cc1csc(CC2CC2)n1 87580485 573954712 /nfs/dbraw/zinc/95/47/12/573954712.db2.gz SGUJOEUGRPJMIA-UHFFFAOYSA-N 0 0 167.233 1.908 10 0 ADAERN CC(C)[C@@]12NC(=O)C[C@@H](C)[C@@H]1C=NO2 238209951 573954725 /nfs/dbraw/zinc/95/47/25/573954725.db2.gz DWLOYGHLIQWSEA-WEDXCCLWSA-N 0 0 196.250 1.127 10 0 ADAERN CC1=C(CO)[C@@H](O)CC(C)(C)C1 238210085 573954741 /nfs/dbraw/zinc/95/47/41/573954741.db2.gz RCAQFUOVNTZXKV-VIFPVBQESA-N 0 0 170.252 1.476 10 0 ADAERN CCOC(=O)C[C@H]1SCCC1=O 259587363 573954757 /nfs/dbraw/zinc/95/47/57/573954757.db2.gz KYMWGWVJLQHWRH-SSDOTTSWSA-N 0 0 188.248 1.014 10 0 ADAERN CC(C)OCC(=O)CC1CC1 87580915 573954758 /nfs/dbraw/zinc/95/47/58/573954758.db2.gz URJAFEKWCFRAQL-UHFFFAOYSA-N 0 0 156.225 1.781 10 0 ADAERN COC(=O)[C@]1(O)CCC[C@H](C2CC2)C1 81648627 573954769 /nfs/dbraw/zinc/95/47/69/573954769.db2.gz LRXRZLHMJGKBNL-ONGXEEELSA-N 0 0 198.262 1.491 10 0 ADAERN Cc1nc(CC2CC2)[nH]c(=O)c1C 87580505 573954790 /nfs/dbraw/zinc/95/47/90/573954790.db2.gz HNWPQZXAVXMOPA-UHFFFAOYSA-N 0 0 178.235 1.339 10 0 ADAERN CCc1cnc2c(O)cccn12 258462026 573954795 /nfs/dbraw/zinc/95/47/95/573954795.db2.gz HEUCNIYTAKYPFB-UHFFFAOYSA-N 0 0 162.192 1.602 10 0 ADAERN Cc1oc(CCO)nc1[C@@H]1CCOC1 258188612 573954805 /nfs/dbraw/zinc/95/48/05/573954805.db2.gz VQOKCUNZEHMXDV-MRVPVSSYSA-N 0 0 197.234 1.022 10 0 ADAERN C[C@@H](O)c1nc(-c2cncs2)no1 87575371 573954809 /nfs/dbraw/zinc/95/48/09/573954809.db2.gz LIHAPJALOZLGRE-SCSAIBSYSA-N 0 0 197.219 1.246 10 0 ADAERN CCCCNc1nc(C)c(C)c(=O)[nH]1 238209556 573954815 /nfs/dbraw/zinc/95/48/15/573954815.db2.gz RZCYQFLDEQBUJB-UHFFFAOYSA-N 0 0 195.266 1.599 10 0 ADAERN CC(=O)Cc1cc(O)cc2c1OCO2 258189684 573954834 /nfs/dbraw/zinc/95/48/34/573954834.db2.gz XIZFIJNULNZYMI-UHFFFAOYSA-N 0 0 194.186 1.252 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCC[C@H](C2CC2)C1 81643523 573954840 /nfs/dbraw/zinc/95/48/40/573954840.db2.gz UZXLZKNHIZEGHV-WCBMZHEXSA-N 0 0 183.251 1.369 10 0 ADAERN CC1(C)C(=O)C(Cl)(Cl)[C@@H]1O 238209120 573954848 /nfs/dbraw/zinc/95/48/48/573954848.db2.gz JMEGOBUXTPLWCC-GSVOUGTGSA-N 0 0 183.034 1.130 10 0 ADAERN CC(=C1CC1)[C@@H](O)C1CC1 238210158 573954854 /nfs/dbraw/zinc/95/48/54/573954854.db2.gz VEBXHAGHLVOTSQ-SECBINFHSA-N 0 0 138.210 1.868 10 0 ADAERN CC1=C([C@@H](O)C(C)C)OC(=O)C1 238210816 573954860 /nfs/dbraw/zinc/95/48/60/573954860.db2.gz HWFIHEGKNGCMJF-QMMMGPOBSA-N 0 0 170.208 1.224 10 0 ADAERN Cc1cnc(N)c(C(=O)CC2CC2)c1 87580945 573954863 /nfs/dbraw/zinc/95/48/63/573954863.db2.gz XKYWINUNFBJBMP-UHFFFAOYSA-N 0 0 190.246 1.955 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCC[C@H](C2CC2)C1 81643517 573954864 /nfs/dbraw/zinc/95/48/64/573954864.db2.gz UZXLZKNHIZEGHV-WPRPVWTQSA-N 0 0 183.251 1.369 10 0 ADAERN CCNc1nc(CC2CC2)no1 87583677 573954880 /nfs/dbraw/zinc/95/48/80/573954880.db2.gz TWYFPWVIPMZSKU-UHFFFAOYSA-N 0 0 167.212 1.454 10 0 ADAERN C[C@H](O)c1nc(-c2cncs2)no1 87575370 573954890 /nfs/dbraw/zinc/95/48/90/573954890.db2.gz LIHAPJALOZLGRE-BYPYZUCNSA-N 0 0 197.219 1.246 10 0 ADAERN Cc1c(-c2ccccn2)nc[nH]c1=O 235842789 573954895 /nfs/dbraw/zinc/95/48/95/573954895.db2.gz FVZRSXFHCCDHRT-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Oc1cccc([C@@H]2CCON2)c1 257911703 573954905 /nfs/dbraw/zinc/95/49/05/573954905.db2.gz AOGQZCJVPRLIKS-VIFPVBQESA-N 0 0 165.192 1.358 10 0 ADAERN CCSc1c(N)c(C)nn1CC 85023011 573954918 /nfs/dbraw/zinc/95/49/18/573954918.db2.gz APSBIAHZLQKMBF-UHFFFAOYSA-N 0 0 185.296 1.906 10 0 ADAERN Nc1ccn(C2CCC2)c(=O)c1 258462119 573954921 /nfs/dbraw/zinc/95/49/21/573954921.db2.gz HHKDVMMAFCDYEV-UHFFFAOYSA-N 0 0 164.208 1.156 10 0 ADAERN CC(C)C(O)(C(C)C)[C@H](C)O 238209658 573954938 /nfs/dbraw/zinc/95/49/38/573954938.db2.gz AOUNOKAZCDGZIX-QMMMGPOBSA-N 0 0 160.257 1.410 10 0 ADAERN CC(C)[C@@]1(C(N)=O)Cc2ccccc21 238210364 573954963 /nfs/dbraw/zinc/95/49/63/573954963.db2.gz JCZUGLAQLDKRBZ-LBPRGKRZSA-N 0 0 189.258 1.622 10 0 ADAERN CNc1nc(-c2cncs2)ns1 87575488 573954969 /nfs/dbraw/zinc/95/49/69/573954969.db2.gz HIEWBWTVAOITQX-UHFFFAOYSA-N 0 0 198.276 1.703 10 0 ADAERN COCN(C)Cc1cccc(F)c1 259027070 573954989 /nfs/dbraw/zinc/95/49/89/573954989.db2.gz HRFOQXWEKXXZAK-UHFFFAOYSA-N 0 0 183.226 1.861 10 0 ADAERN CCn1nc(C)c(N)c1N[C@@H]1C[C@H]1C 85022655 573955004 /nfs/dbraw/zinc/95/50/04/573955004.db2.gz VVQWXSFAQAMFMI-HTRCEHHLSA-N 0 0 194.282 1.614 10 0 ADAERN Cc1ccnc(N)c1C(=O)CC1CC1 87580823 573955005 /nfs/dbraw/zinc/95/50/05/573955005.db2.gz QTYVYAHNPUFADQ-UHFFFAOYSA-N 0 0 190.246 1.955 10 0 ADAERN CNOCC1CCCCC1 258462014 573955013 /nfs/dbraw/zinc/95/50/13/573955013.db2.gz HENMXLPTXKEDIS-UHFFFAOYSA-N 0 0 143.230 1.718 10 0 ADAERN CC1=C(CO)CCC(=O)C1 238209690 573955039 /nfs/dbraw/zinc/95/50/39/573955039.db2.gz ONUUOIBCXUPJBD-UHFFFAOYSA-N 0 0 140.182 1.048 10 0 ADAERN C[C@H](O)c1cnc(C2CCC2)o1 258189170 573955046 /nfs/dbraw/zinc/95/50/46/573955046.db2.gz SMHDSKOSIXYCQA-LURJTMIESA-N 0 0 167.208 1.995 10 0 ADAERN Cn1ccnc1[C@H](O)CC1CC1 87581028 573955047 /nfs/dbraw/zinc/95/50/47/573955047.db2.gz UASGLAOCOBFEDU-MRVPVSSYSA-N 0 0 166.224 1.254 10 0 ADAERN CC(=C1CC1)[C@H](O)C1CC1 238210387 573955049 /nfs/dbraw/zinc/95/50/49/573955049.db2.gz VEBXHAGHLVOTSQ-VIFPVBQESA-N 0 0 138.210 1.868 10 0 ADAERN C[C@H](O)c1cccc2c1NC(=O)CC2 258189676 573955050 /nfs/dbraw/zinc/95/50/50/573955050.db2.gz XITXPUJFYMAORQ-ZETCQYMHSA-N 0 0 191.230 1.625 10 0 ADAERN O=c1ccon1CC[C@@H]1CCCO1 306464202 573955051 /nfs/dbraw/zinc/95/50/51/573955051.db2.gz JAGVAWZGUWMPIJ-QMMMGPOBSA-N 0 0 183.207 1.010 10 0 ADAERN OC1(c2ccc3ocnc3c2)CC1 257911575 573955056 /nfs/dbraw/zinc/95/50/56/573955056.db2.gz ATDYOHCODOXALF-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN CCNC1=C=C(Cl)N=C=C1CO 642825247 573955099 /nfs/dbraw/zinc/95/50/99/573955099.db2.gz VRLOUXBUSQIXMU-UHFFFAOYSA-N 0 0 183.618 1.303 10 0 ADAERN C[NH2+]Cc1ccc(C(=O)[O-])c(OC)c1 258188707 573955102 /nfs/dbraw/zinc/95/51/02/573955102.db2.gz TYXXQGWGHRELMC-UHFFFAOYSA-N 0 0 195.218 1.113 10 0 ADAERN CCOc1cccc(C(N)=S)n1 81618099 573955135 /nfs/dbraw/zinc/95/51/35/573955135.db2.gz HZIXAFFRHAJOPY-UHFFFAOYSA-N 0 0 182.248 1.115 10 0 ADAERN Nc1cc(C2CC2)nc(CC2CC2)n1 87583498 573955162 /nfs/dbraw/zinc/95/51/62/573955162.db2.gz OBIJGDNDGCLPNM-UHFFFAOYSA-N 0 0 189.262 1.889 10 0 ADAERN CCNc1c(N)c(C)nn1CC 85022300 573955190 /nfs/dbraw/zinc/95/51/90/573955190.db2.gz PMNMBGZEJHQLIS-UHFFFAOYSA-N 0 0 168.244 1.225 10 0 ADAERN C[C@@H]1C(=O)N(C)c2ccc(N)cc21 104091057 573955199 /nfs/dbraw/zinc/95/51/99/573955199.db2.gz IDHLMQKXCJVAMA-LURJTMIESA-N 0 0 176.219 1.349 10 0 ADAERN CCOC(=O)C[C@@H]1SCCC1=O 259587365 573955211 /nfs/dbraw/zinc/95/52/11/573955211.db2.gz KYMWGWVJLQHWRH-ZETCQYMHSA-N 0 0 188.248 1.014 10 0 ADAERN CC1=C(CO)CC[C@H]1C1(C)OCCO1 238209888 573955213 /nfs/dbraw/zinc/95/52/13/573955213.db2.gz UDKIMGNJZHEGNC-SNVBAGLBSA-N 0 0 198.262 1.468 10 0 ADAERN CC1=C(CNC(N)=O)CCC1(C)C 238209496 573955214 /nfs/dbraw/zinc/95/52/14/573955214.db2.gz UOXIEIJMMYKRGX-UHFFFAOYSA-N 0 0 182.267 1.791 10 0 ADAERN CC(C)[NH2+]C[C@@H]1CC[C@@H](C(=O)[O-])C1 257911442 573955224 /nfs/dbraw/zinc/95/52/24/573955224.db2.gz QHVXJDWPLHIGPS-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN CCCCNc1nc(O)cc(=O)[nH]1 238210100 573955231 /nfs/dbraw/zinc/95/52/31/573955231.db2.gz LAORJJGPTFADHE-UHFFFAOYSA-N 0 0 183.211 1.100 10 0 ADAERN Oc1ccc([C@@H]2CCNO2)cc1 257911675 573955233 /nfs/dbraw/zinc/95/52/33/573955233.db2.gz ANZXMPCHOILWHK-VIFPVBQESA-N 0 0 165.192 1.358 10 0 ADAERN CCNc1nc(-c2cncs2)no1 87575183 573955236 /nfs/dbraw/zinc/95/52/36/573955236.db2.gz BYDYRAIQXFGNIZ-UHFFFAOYSA-N 0 0 196.235 1.625 10 0 ADAERN O=Cc1cc(C[C@@H]2CCCOC2)[nH]n1 259249935 573955245 /nfs/dbraw/zinc/95/52/45/573955245.db2.gz NQBXUKQBHOLLJH-QMMMGPOBSA-N 0 0 194.234 1.191 10 0 ADAERN CC(=O)Nc1c(O)cccc1C(C)=O 258189701 573955259 /nfs/dbraw/zinc/95/52/59/573955259.db2.gz XJRGYNZIVICCPY-UHFFFAOYSA-N 0 0 193.202 1.553 10 0 ADAERN CCc1nc(CN)oc1CC 258462104 573955269 /nfs/dbraw/zinc/95/52/69/573955269.db2.gz HHDHKJXMYLILGF-UHFFFAOYSA-N 0 0 154.213 1.258 10 0 ADAERN Nc1ncccc1[C@@H](O)CC1CC1 87581292 573955273 /nfs/dbraw/zinc/95/52/73/573955273.db2.gz RFCMLKYMFWZEDS-VIFPVBQESA-N 0 0 178.235 1.497 10 0 ADAERN COC(=O)[C@]1(O)CCC[C@@H](C2CC2)C1 81648634 573955292 /nfs/dbraw/zinc/95/52/92/573955292.db2.gz LRXRZLHMJGKBNL-KOLCDFICSA-N 0 0 198.262 1.491 10 0 ADAERN CCC1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 42447010 573955293 /nfs/dbraw/zinc/95/52/93/573955293.db2.gz YLKYXNWGZVGTQW-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)c1cnoc1[C@H]1CCCOC1 259249852 573957156 /nfs/dbraw/zinc/95/71/56/573957156.db2.gz NOWVGPREFDHDHR-QMMMGPOBSA-N 0 0 195.218 1.771 10 0 ADAERN CC(C)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])C1 257911441 573957173 /nfs/dbraw/zinc/95/71/73/573957173.db2.gz QHVXJDWPLHIGPS-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN CCSC(=O)c1nnsc1N 257912591 573957180 /nfs/dbraw/zinc/95/71/80/573957180.db2.gz MGQDBQHVTFPLFL-UHFFFAOYSA-N 0 0 189.265 1.014 10 0 ADAERN C[C@H](O)C[C@H](O)/C=C/c1ccccc1 35923655 573957187 /nfs/dbraw/zinc/95/71/87/573957187.db2.gz AGMGAWQHGXPHJP-PXYQHZOESA-N 0 0 192.258 1.832 10 0 ADAERN OC[C@]1(Cc2ccco2)CCOC1 85041749 573957192 /nfs/dbraw/zinc/95/71/92/573957192.db2.gz UKYWSSPKMZMFRD-SNVBAGLBSA-N 0 0 182.219 1.221 10 0 ADAERN CC(=O)c1n[nH]c2c1CSC2 258463796 573957203 /nfs/dbraw/zinc/95/72/03/573957203.db2.gz HKUUDNJGCHETPZ-UHFFFAOYSA-N 0 0 168.221 1.359 10 0 ADAERN C[C@H]1C(=O)NC(=O)C[C@H]1C1CCC1 87586577 573957217 /nfs/dbraw/zinc/95/72/17/573957217.db2.gz ZTBHAVUTAGZWNH-HTRCEHHLSA-N 0 0 181.235 1.085 10 0 ADAERN O=C1CCO[C@H](C2CCC2)C1 87586223 573957227 /nfs/dbraw/zinc/95/72/27/573957227.db2.gz BFRSCCPXBUYOFM-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN Nc1c(C2CCC2)nc(C2CC2)n1N 87586010 573957277 /nfs/dbraw/zinc/95/72/77/573957277.db2.gz GLVRMBHXOPLRTL-UHFFFAOYSA-N 0 0 192.266 1.324 10 0 ADAERN C[C@H]1N=C(c2ccsc2)NC1=O 235676063 573957303 /nfs/dbraw/zinc/95/73/03/573957303.db2.gz GJUDFAGBONNDBG-RXMQYKEDSA-N 0 0 180.232 1.013 10 0 ADAERN COC(=O)C1(Cc2cccnc2)CC1 259249797 573957341 /nfs/dbraw/zinc/95/73/41/573957341.db2.gz WLINRSMPHNKBII-UHFFFAOYSA-N 0 0 191.230 1.577 10 0 ADAERN CCCN(CCO)c1cccc(N)c1 42452620 573957384 /nfs/dbraw/zinc/95/73/84/573957384.db2.gz LNLGYMRXBDKSAK-UHFFFAOYSA-N 0 0 194.278 1.478 10 0 ADAERN OC[C@H]1CCCO[C@@H]1C1CCC1 87586757 573957387 /nfs/dbraw/zinc/95/73/87/573957387.db2.gz HLPQZJHNCPWJLC-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN CCC(=O)[C@H](O)c1ccc(C)o1 259251901 573957403 /nfs/dbraw/zinc/95/74/03/573957403.db2.gz TXPRSQVOSSIWQU-VIFPVBQESA-N 0 0 168.192 1.601 10 0 ADAERN CC[C@@H]1CC(=N)N=NC1C1CCC1 87586359 573957409 /nfs/dbraw/zinc/95/74/09/573957409.db2.gz RSMAPLNSEAUEDJ-SSDOTTSWSA-N 0 0 179.267 1.930 10 0 ADAERN CO[C@@H](C)CC(=O)c1cccnc1 127887365 573957417 /nfs/dbraw/zinc/95/74/17/573957417.db2.gz YEMQZYCQAJJONJ-QMMMGPOBSA-N 0 0 179.219 1.689 10 0 ADAERN CC1(C)[C@@H](O)[C@@]1(O)c1ccccc1 238210324 573957425 /nfs/dbraw/zinc/95/74/25/573957425.db2.gz HEVFWEWJXMVCTC-KOLCDFICSA-N 0 0 178.231 1.275 10 0 ADAERN CCCCNc1cnc2ncccn12 238209219 573957432 /nfs/dbraw/zinc/95/74/32/573957432.db2.gz YGHILQNYCVJCTF-UHFFFAOYSA-N 0 0 190.250 1.941 10 0 ADAERN C[C@@H]1CC(=N)N=NC1C1CCC1 87586361 573957469 /nfs/dbraw/zinc/95/74/69/573957469.db2.gz CBVDRMFLNVDYGX-ZCFIWIBFSA-N 0 0 165.240 1.540 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+][C@H]1C[C@@H]1C1CC1 716496229 573957506 /nfs/dbraw/zinc/95/75/06/573957506.db2.gz MUXXTLOWVHISOO-QNSHHTMESA-N 0 0 197.278 1.628 10 0 ADAERN CCN1C(=O)N=C(N)[C@H]1C1CCC1 87586813 573957509 /nfs/dbraw/zinc/95/75/09/573957509.db2.gz PVORMARRJJLLSE-SSDOTTSWSA-N 0 0 181.239 1.177 10 0 ADAERN CCn1cc(CO)c2cccc(N)c21 257911659 573957520 /nfs/dbraw/zinc/95/75/20/573957520.db2.gz PULLYCMYILIFGR-UHFFFAOYSA-N 0 0 190.246 1.736 10 0 ADAERN C[C@H](CO)Cc1cscn1 85038860 573957528 /nfs/dbraw/zinc/95/75/28/573957528.db2.gz JQTVWTNZYAICOC-LURJTMIESA-N 0 0 157.238 1.314 10 0 ADAERN OC1(c2ccc3ncoc3c2)CC1 257911865 573957559 /nfs/dbraw/zinc/95/75/59/573957559.db2.gz AVVUYQNJPFLWBA-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN OC[C@@H]1CCO[C@@H]1C1CCC1 87586751 573957561 /nfs/dbraw/zinc/95/75/61/573957561.db2.gz BDKCDPUCCWINQQ-DTWKUNHWSA-N 0 0 156.225 1.184 10 0 ADAERN CC(C)N1C(=O)N=C(N)[C@H]1C1CCC1 87586817 573957575 /nfs/dbraw/zinc/95/75/75/573957575.db2.gz AAJRIXIGNOZLSK-MRVPVSSYSA-N 0 0 195.266 1.566 10 0 ADAERN Nc1c(C(F)(F)F)cnnc1Cl 257911388 573957584 /nfs/dbraw/zinc/95/75/84/573957584.db2.gz JAXKNXDZARIFJN-UHFFFAOYSA-N 0 0 197.547 1.731 10 0 ADAERN CCCn1cnnc1COC1CC1 716872301 573957585 /nfs/dbraw/zinc/95/75/85/573957585.db2.gz NAFUTFYNRBBHRY-UHFFFAOYSA-N 0 0 181.239 1.367 10 0 ADAERN CCCN1C(=O)N=C(N)[C@H]1C1CCC1 87586807 573957588 /nfs/dbraw/zinc/95/75/88/573957588.db2.gz YVTCNZCHQOFDPK-MRVPVSSYSA-N 0 0 195.266 1.568 10 0 ADAERN O[C@H]1CCO[C@@H](C2CCC2)C1 87586222 573957618 /nfs/dbraw/zinc/95/76/18/573957618.db2.gz ZMOAEBBUEJRFPI-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)c1cn2c(n1)[C@@H](O)CCC2 257911523 573957626 /nfs/dbraw/zinc/95/76/26/573957626.db2.gz QJDPKAXDZYQZIE-VIFPVBQESA-N 0 0 180.251 1.834 10 0 ADAERN CCC[C@]1(CO)CCOC1 85041986 573957632 /nfs/dbraw/zinc/95/76/32/573957632.db2.gz LIFUOCRHHWRQNX-MRVPVSSYSA-N 0 0 144.214 1.186 10 0 ADAERN N=C1CCC(C2CCC2)N=N1 87586358 573957633 /nfs/dbraw/zinc/95/76/33/573957633.db2.gz QYRZIMHWTYTTQS-UHFFFAOYSA-N 0 0 151.213 1.294 10 0 ADAERN CC(C)C[C@H](CO)Cc1ncnn1C 85039971 573957645 /nfs/dbraw/zinc/95/76/45/573957645.db2.gz QAZZXWUPLDPYSX-VIFPVBQESA-N 0 0 197.282 1.012 10 0 ADAERN OC[C@@]1(Cc2ccsc2)CCOC1 85042073 573957650 /nfs/dbraw/zinc/95/76/50/573957650.db2.gz HUIJLTMBYDCRFV-JTQLQIEISA-N 0 0 198.287 1.690 10 0 ADAERN Oc1ccc([C@H]2CCNO2)cc1 257911671 573957664 /nfs/dbraw/zinc/95/76/64/573957664.db2.gz ANZXMPCHOILWHK-SECBINFHSA-N 0 0 165.192 1.358 10 0 ADAERN Cc1ncc(C[C@@H](C)CO)s1 85038912 573957677 /nfs/dbraw/zinc/95/76/77/573957677.db2.gz WYNRMKBICJTMBQ-ZCFIWIBFSA-N 0 0 171.265 1.622 10 0 ADAERN S=c1[nH]c(Br)co1 257911821 573957681 /nfs/dbraw/zinc/95/76/81/573957681.db2.gz PXKUWJGIOMXUOB-UHFFFAOYSA-N 0 0 180.026 1.726 10 0 ADAERN CC(C)C[C@@H]1CONC(=O)O1 257911476 573957721 /nfs/dbraw/zinc/95/77/21/573957721.db2.gz AKGQFUVLTQLJOI-ZCFIWIBFSA-N 0 0 159.185 1.073 10 0 ADAERN CC[C@H]1CC(=N)N=NC1C1CCC1 87586360 573957722 /nfs/dbraw/zinc/95/77/22/573957722.db2.gz RSMAPLNSEAUEDJ-ZETCQYMHSA-N 0 0 179.267 1.930 10 0 ADAERN CCCC[C@H](O)c1cn(C)nc1OC 35923686 573957723 /nfs/dbraw/zinc/95/77/23/573957723.db2.gz KWNOOAPXWGVCEK-VIFPVBQESA-N 0 0 198.266 1.652 10 0 ADAERN Cn1nc([C@H]2CCCS2)cc1C=O 259249945 573957726 /nfs/dbraw/zinc/95/77/26/573957726.db2.gz NQFHZCMIFDSTDR-SECBINFHSA-N 0 0 196.275 1.801 10 0 ADAERN OCC(F)(F)[C@@H]1CCCSC1 257911444 573957728 /nfs/dbraw/zinc/95/77/28/573957728.db2.gz QHWMSVZMNUPXHF-ZCFIWIBFSA-N 0 0 182.235 1.757 10 0 ADAERN O=C1CCO[C@@H](C2CCC2)C1 87586224 573957737 /nfs/dbraw/zinc/95/77/37/573957737.db2.gz BFRSCCPXBUYOFM-SECBINFHSA-N 0 0 154.209 1.535 10 0 ADAERN CC(C)[C@H]1COC(CCCCCO)=N1 35923690 573957748 /nfs/dbraw/zinc/95/77/48/573957748.db2.gz UGFQFWZNHNPTMQ-SNVBAGLBSA-N 0 0 199.294 1.992 10 0 ADAERN CC[C@H](CO)Cc1cc(C)nn1C 85041177 573957749 /nfs/dbraw/zinc/95/77/49/573957749.db2.gz ZDOANAZWKKLLFN-VIFPVBQESA-N 0 0 182.267 1.290 10 0 ADAERN CCCc1nc(C2CCC2)c(N)n1N 87586011 573957770 /nfs/dbraw/zinc/95/77/70/573957770.db2.gz PYAIWIINVBHZRJ-UHFFFAOYSA-N 0 0 194.282 1.399 10 0 ADAERN CCC[C@@H](CO)CCOC 85040179 573957773 /nfs/dbraw/zinc/95/77/73/573957773.db2.gz SVZCOMPMGXHTLY-MRVPVSSYSA-N 0 0 146.230 1.432 10 0 ADAERN COCc1cccc(C[C@@H](C)O)c1 257911686 573957791 /nfs/dbraw/zinc/95/77/91/573957791.db2.gz AUYSJNMKFDYSMV-SECBINFHSA-N 0 0 180.247 1.756 10 0 ADAERN Cc1ccc(CNO)c(F)c1F 257911794 573957800 /nfs/dbraw/zinc/95/78/00/573957800.db2.gz AVJYVAGYQWHSRB-UHFFFAOYSA-N 0 0 173.162 1.752 10 0 ADAERN CCCC[C@@]1(CO)CCOC1 85041715 573957802 /nfs/dbraw/zinc/95/78/02/573957802.db2.gz FFTPXPGARXQTPF-VIFPVBQESA-N 0 0 158.241 1.576 10 0 ADAERN CSCCS[C@H](C)[C@H](C)O 222831830 573957826 /nfs/dbraw/zinc/95/78/26/573957826.db2.gz GHMJQUZMYLOVAQ-NKWVEPMBSA-N 0 0 180.338 1.852 10 0 ADAERN OC[C@H]1CCO[C@@H]1C1CCC1 87586753 573957841 /nfs/dbraw/zinc/95/78/41/573957841.db2.gz BDKCDPUCCWINQQ-RKDXNWHRSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@@H](C[C@@H]1CCCSC1)ON 259587970 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0 172.268 1.699 10 0 ADAERN CN[C@H]1C(=O)c2occc2S[C@@H]1C 74239612 573959330 /nfs/dbraw/zinc/95/93/30/573959330.db2.gz SJRRPXKVJJYGAK-IYSWYEEDSA-N 0 0 197.259 1.545 10 0 ADAERN O=C([S-])CCC1CC[NH2+]CC1 257912970 573959335 /nfs/dbraw/zinc/95/93/35/573959335.db2.gz JCGDHWQKGVZHMJ-UHFFFAOYSA-N 0 0 173.281 1.223 10 0 ADAERN C[C@@H]1CC(C2CCC2)N=NC1=N 87586363 573959344 /nfs/dbraw/zinc/95/93/44/573959344.db2.gz WLCOUUQCZNLASG-ZCFIWIBFSA-N 0 0 165.240 1.540 10 0 ADAERN CC(=O)c1noc(C2CCCC2)n1 257913129 573959356 /nfs/dbraw/zinc/95/93/56/573959356.db2.gz FOSKNZFYTDSAQI-UHFFFAOYSA-N 0 0 180.207 1.930 10 0 ADAERN CC1=C(Cl)C[C@@](C)(Cl)C(=O)N1 238210923 573959358 /nfs/dbraw/zinc/95/93/58/573959358.db2.gz XJYSSEJNMDQYEH-SSDOTTSWSA-N 0 0 194.061 1.974 10 0 ADAERN C[C@@H](F)CCn1cncc1C=O 212432016 573959371 /nfs/dbraw/zinc/95/93/71/573959371.db2.gz FPHFCBVSVPUHKK-SSDOTTSWSA-N 0 0 170.187 1.444 10 0 ADAERN OC[C@@]1(Cc2ccco2)CCOC1 85041747 573959411 /nfs/dbraw/zinc/95/94/11/573959411.db2.gz UKYWSSPKMZMFRD-JTQLQIEISA-N 0 0 182.219 1.221 10 0 ADAERN CSC(=O)c1sncc1N 258191191 573959443 /nfs/dbraw/zinc/95/94/43/573959443.db2.gz UGMZMTBZPWYGLU-UHFFFAOYSA-N 0 0 174.250 1.229 10 0 ADAERN CSC[C@H](C)NC(=O)n1ccnc1 127886121 573959448 /nfs/dbraw/zinc/95/94/48/573959448.db2.gz FUQPATMYKZWURI-ZETCQYMHSA-N 0 0 199.279 1.192 10 0 ADAERN Cc1ncc(C[C@H](C)CO)s1 85038913 573959457 /nfs/dbraw/zinc/95/94/57/573959457.db2.gz WYNRMKBICJTMBQ-LURJTMIESA-N 0 0 171.265 1.622 10 0 ADAERN O=C1CC[C@@H]([C@@H]2CCCSC2)N1 257920049 573962248 /nfs/dbraw/zinc/96/22/48/573962248.db2.gz RHQJYRUFYUHRDN-SFYZADRCSA-N 0 0 185.292 1.408 10 0 ADAERN O=C1CC[C@H]2CCCC[C@@H]2CN1 197155090 573962282 /nfs/dbraw/zinc/96/22/82/573962282.db2.gz MRUKUUUFLZLYKO-RKDXNWHRSA-N 0 0 167.252 1.703 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CC[C@@H](C)C1=O 238217167 573962362 /nfs/dbraw/zinc/96/23/62/573962362.db2.gz FAFOCDLTNDPKLS-VGMNWLOBSA-N 0 0 170.252 1.619 10 0 ADAERN COCCc1nc2n(n1)[C@H](C)CCC2 258463476 573962386 /nfs/dbraw/zinc/96/23/86/573962386.db2.gz PYYGXWZCNFRGQE-MRVPVSSYSA-N 0 0 195.266 1.364 10 0 ADAERN CC(C)OC[C@H](O)c1cccc(O)c1 258190529 573962390 /nfs/dbraw/zinc/96/23/90/573962390.db2.gz VVKLIAFKESLNNS-NSHDSACASA-N 0 0 196.246 1.851 10 0 ADAERN CC(C)Nc1nc(N)n(C(C)C)n1 87587089 573962411 /nfs/dbraw/zinc/96/24/11/573962411.db2.gz GUSIGVGFEPLZNR-UHFFFAOYSA-N 0 0 183.259 1.262 10 0 ADAERN Cn1cnc(C(=O)[C@]23CCC[C@H]2C3)n1 714779921 573962418 /nfs/dbraw/zinc/96/24/18/573962418.db2.gz PVDLMKPQOXDVQZ-XVKPBYJWSA-N 0 0 191.234 1.188 10 0 ADAERN CC(C)C[C@@H](C)OC(=O)[C@@H](C)N 42462838 573962428 /nfs/dbraw/zinc/96/24/28/573962428.db2.gz OEMFVPHMHGEUQG-HTQZYQBOSA-N 0 0 173.256 1.311 10 0 ADAERN CSC(=O)c1cccc(N)n1 257921046 573962537 /nfs/dbraw/zinc/96/25/37/573962537.db2.gz NNJPKQUNCMJFTN-UHFFFAOYSA-N 0 0 168.221 1.167 10 0 ADAERN CC[C@H](C)n1nc(SC)nc1N 87586891 573962554 /nfs/dbraw/zinc/96/25/54/573962554.db2.gz HOXSVWREFMBYHB-YFKPBYRVSA-N 0 0 186.284 1.553 10 0 ADAERN CCC[C@H](O)c1ccc(O)cc1N 257920826 573962626 /nfs/dbraw/zinc/96/26/26/573962626.db2.gz RJTKFNPXQVFJCR-JTQLQIEISA-N 0 0 181.235 1.808 10 0 ADAERN CC[C@@H](C)n1nc(NC(C)C)nc1N 87587141 573962664 /nfs/dbraw/zinc/96/26/64/573962664.db2.gz QBGDHUHZKPMNLC-SSDOTTSWSA-N 0 0 197.286 1.652 10 0 ADAERN CCNc1nc(N)n(C2CCCC2)n1 87587109 573962672 /nfs/dbraw/zinc/96/26/72/573962672.db2.gz RVPJALLEWPVHDF-UHFFFAOYSA-N 0 0 195.270 1.407 10 0 ADAERN CN[C@H]1C(=O)c2occc2S[C@H]1C 74239614 573962712 /nfs/dbraw/zinc/96/27/12/573962712.db2.gz SJRRPXKVJJYGAK-CAHLUQPWSA-N 0 0 197.259 1.545 10 0 ADAERN CC[S@](=O)c1ccccc1NC 197148915 573962749 /nfs/dbraw/zinc/96/27/49/573962749.db2.gz UJWPHXSULRTENT-LBPRGKRZSA-N 0 0 183.276 1.856 10 0 ADAERN C[C@@H]1CCc2c[nH]c(=O)n2C1 257912889 573962751 /nfs/dbraw/zinc/96/27/51/573962751.db2.gz APOWFXWPSMARFU-ZCFIWIBFSA-N 0 0 152.197 1.171 10 0 ADAERN CCCn1nc(NC(C)C)nc1N 87587104 573962758 /nfs/dbraw/zinc/96/27/58/573962758.db2.gz NMNROLJSXMAHAC-UHFFFAOYSA-N 0 0 183.259 1.091 10 0 ADAERN CC[C@@H](C)n1nc(SC)nc1N 87586890 573962812 /nfs/dbraw/zinc/96/28/12/573962812.db2.gz HOXSVWREFMBYHB-RXMQYKEDSA-N 0 0 186.284 1.553 10 0 ADAERN CC[C@H](N)c1nc(C[C@@H](C)OC)no1 127795233 573962813 /nfs/dbraw/zinc/96/28/13/573962813.db2.gz WNULNYKHAXEZON-RQJHMYQMSA-N 0 0 199.254 1.057 10 0 ADAERN CCn1cc(Cl)cc(N)c1=O 257920831 573962822 /nfs/dbraw/zinc/96/28/22/573962822.db2.gz RJTMLEZTFMLQQS-UHFFFAOYSA-N 0 0 172.615 1.104 10 0 ADAERN Nc1nc(N)n(C2CCCCCC2)n1 87586887 573962823 /nfs/dbraw/zinc/96/28/23/573962823.db2.gz QYONDWZTNAIOKN-UHFFFAOYSA-N 0 0 195.270 1.338 10 0 ADAERN CCC/C=C/[C@@H]1C[C@H](O)C(=O)O1 238216052 573962861 /nfs/dbraw/zinc/96/28/61/573962861.db2.gz HLQPBOHIORZKLK-VWFQECGMSA-N 0 0 170.208 1.019 10 0 ADAERN CC[C@H](C)n1nc(NC2CC2)nc1N 87587134 573962882 /nfs/dbraw/zinc/96/28/82/573962882.db2.gz MSLGVGQLSHGHMN-LURJTMIESA-N 0 0 195.270 1.406 10 0 ADAERN CCNc1nc(N)n([C@H](C)CC)n1 87587135 573962913 /nfs/dbraw/zinc/96/29/13/573962913.db2.gz SCBDAJNIFCBLCY-ZCFIWIBFSA-N 0 0 183.259 1.263 10 0 ADAERN O=Cc1ncnc2cc(F)ccc12 257912914 573962947 /nfs/dbraw/zinc/96/29/47/573962947.db2.gz QNZMCYHJCKPNCT-UHFFFAOYSA-N 0 0 176.150 1.581 10 0 ADAERN C[C@H](CO)c1c(F)ccc2c1OCO2 258189550 573962948 /nfs/dbraw/zinc/96/29/48/573962948.db2.gz XFQRGKBBYYBOSN-ZCFIWIBFSA-N 0 0 198.193 1.650 10 0 ADAERN CCC[C@@H]1CC[C@@]2(C)[NH2+]CCN2C1 238216790 573962954 /nfs/dbraw/zinc/96/29/54/573962954.db2.gz GXPJMMKZVQDSOB-MNOVXSKESA-N 0 0 182.311 1.818 10 0 ADAERN CN(C)c1nc(N)n(C2CCCC2)n1 87587795 573962962 /nfs/dbraw/zinc/96/29/62/573962962.db2.gz ZRLMFTOWBCRQQX-UHFFFAOYSA-N 0 0 195.270 1.041 10 0 ADAERN COc1cccc(CCO)c1CF 258189460 573962969 /nfs/dbraw/zinc/96/29/69/573962969.db2.gz XEBVOSMCWQRYDK-UHFFFAOYSA-N 0 0 184.210 1.700 10 0 ADAERN CC(C)Oc1cccc(O)c1CO 197152519 573962977 /nfs/dbraw/zinc/96/29/77/573962977.db2.gz CRROKCPPXXAPQS-UHFFFAOYSA-N 0 0 182.219 1.672 10 0 ADAERN CC[C@](N)(C(=O)OC)C(C)(C)F 257921000 573962979 /nfs/dbraw/zinc/96/29/79/573962979.db2.gz ROEQJHISOZTZGP-QMMMGPOBSA-N 0 0 177.219 1.015 10 0 ADAERN CCCc1ccc(N)c(=O)n1CC 257920245 573963000 /nfs/dbraw/zinc/96/30/00/573963000.db2.gz RIWMWXAPEMCXAL-UHFFFAOYSA-N 0 0 180.251 1.403 10 0 ADAERN Cn1cnc2ccc(C(C)(C)O)cc21 258189595 573963002 /nfs/dbraw/zinc/96/30/02/573963002.db2.gz XGXOLDNQPICHCG-UHFFFAOYSA-N 0 0 190.246 1.801 10 0 ADAERN CC(C)OCc1nc(N)co1 257913497 573963012 /nfs/dbraw/zinc/96/30/12/573963012.db2.gz QFMYWXWZQUAZMU-UHFFFAOYSA-N 0 0 156.185 1.182 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CC12CC2 238216899 573963026 /nfs/dbraw/zinc/96/30/26/573963026.db2.gz GBLQZVPTSYYAIM-YUMQZZPRSA-N 0 0 140.226 1.803 10 0 ADAERN CC1(C)CCN2C(=O)CC[C@H]2[C@@H]1CO 238216263 573963048 /nfs/dbraw/zinc/96/30/48/573963048.db2.gz QSCQHZTZZLOQPG-IUCAKERBSA-N 0 0 197.278 1.016 10 0 ADAERN O=C1CC[C@H]2CCCC[C@H]2CN1 197155104 573963064 /nfs/dbraw/zinc/96/30/64/573963064.db2.gz MRUKUUUFLZLYKO-BDAKNGLRSA-N 0 0 167.252 1.703 10 0 ADAERN O=C1CC[C@@H]2CCCC[C@@H]2CN1 197155064 573963073 /nfs/dbraw/zinc/96/30/73/573963073.db2.gz MRUKUUUFLZLYKO-DTWKUNHWSA-N 0 0 167.252 1.703 10 0 ADAERN CC1=C[C@@H]([C@@H](O)C(C)C)C(=O)O1 238216857 573963093 /nfs/dbraw/zinc/96/30/93/573963093.db2.gz ULGVHXOSYBYYFF-YUMQZZPRSA-N 0 0 170.208 1.080 10 0 ADAERN CCn1nc(C=O)c2c1CC[C@@H]2F 257922313 573963111 /nfs/dbraw/zinc/96/31/11/573963111.db2.gz RQNGPBSVOFRYII-LURJTMIESA-N 0 0 182.198 1.672 10 0 ADAERN C[NH+](C)C1(C)CCC(C(=O)[O-])CC1 715217731 573963112 /nfs/dbraw/zinc/96/31/12/573963112.db2.gz JWUYMZJLZHSULI-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN COCc1cc(N)c(F)cc1C 257913542 573963118 /nfs/dbraw/zinc/96/31/18/573963118.db2.gz AWCKGLWLQKTZMI-UHFFFAOYSA-N 0 0 169.199 1.863 10 0 ADAERN CC1(C)CCN2C(=O)CC[C@@H]2[C@@H]1CO 238216283 573963121 /nfs/dbraw/zinc/96/31/21/573963121.db2.gz QSCQHZTZZLOQPG-DTWKUNHWSA-N 0 0 197.278 1.016 10 0 ADAERN CC(C)n1nc(N2CCCC2)nc1N 87587847 573963145 /nfs/dbraw/zinc/96/31/45/573963145.db2.gz HZDPGJGFQMGRHJ-UHFFFAOYSA-N 0 0 195.270 1.041 10 0 ADAERN CC[C@@H](C)n1nc(NC2CC2)nc1N 87587133 573963164 /nfs/dbraw/zinc/96/31/64/573963164.db2.gz MSLGVGQLSHGHMN-ZCFIWIBFSA-N 0 0 195.270 1.406 10 0 ADAERN COCC[C@@H](O)CC(F)(F)F 53785806 573963180 /nfs/dbraw/zinc/96/31/80/573963180.db2.gz DQRSTEVLCUIWLF-RXMQYKEDSA-N 0 0 172.146 1.336 10 0 ADAERN CC(C)Cn1nc(NC2CC2)nc1N 87587039 573963196 /nfs/dbraw/zinc/96/31/96/573963196.db2.gz WVETYJONMFISTO-UHFFFAOYSA-N 0 0 195.270 1.091 10 0 ADAERN C[C@@H](CO)c1c(O)ccc2c1COC2 258191884 573967305 /nfs/dbraw/zinc/96/73/05/573967305.db2.gz XKOUMQXSBXXMJH-ZETCQYMHSA-N 0 0 194.230 1.518 10 0 ADAERN CCC(CC)N(CCO)C(C)=O 42506504 573967306 /nfs/dbraw/zinc/96/73/06/573967306.db2.gz IWRRQOKFUNAZQH-UHFFFAOYSA-N 0 0 173.256 1.016 10 0 ADAERN Cc1ccccc1[C@H](O)c1cn[nH]n1 87599117 573967310 /nfs/dbraw/zinc/96/73/10/573967310.db2.gz WLQWGMZMKZQHDY-JTQLQIEISA-N 0 0 189.218 1.195 10 0 ADAERN C[C@H](CO)c1c(F)ccc2c1OCC2 258191878 573967315 /nfs/dbraw/zinc/96/73/15/573967315.db2.gz XKMGYQVXMFIJLU-SSDOTTSWSA-N 0 0 196.221 1.856 10 0 ADAERN CC(C)[C@H](O)[C@H]1CCN(C)C1=S 238219327 573967316 /nfs/dbraw/zinc/96/73/16/573967316.db2.gz HOMHXUHCHWULPY-SFYZADRCSA-N 0 0 187.308 1.282 10 0 ADAERN COCN(C)c1ccc2[nH]cnc2c1 259029412 573967324 /nfs/dbraw/zinc/96/73/24/573967324.db2.gz HUBNTICLZYAOML-UHFFFAOYSA-N 0 0 191.234 1.603 10 0 ADAERN Nc1cccc2c1CCS2 82320460 573967337 /nfs/dbraw/zinc/96/73/37/573967337.db2.gz PXBUQKUMITXWFN-UHFFFAOYSA-N 0 0 151.234 1.917 10 0 ADAERN c1cc(NC2COC2)c2c[nH]nc2c1 87597315 573967340 /nfs/dbraw/zinc/96/73/40/573967340.db2.gz ATIIZYHIEBRSEU-UHFFFAOYSA-N 0 0 189.218 1.374 10 0 ADAERN CC1(C)CC[C@@H]2OC(=O)N[C@H]2C1 238218599 573967352 /nfs/dbraw/zinc/96/73/52/573967352.db2.gz IJAKLGBIZBTDLF-BQBZGAKWSA-N 0 0 169.224 1.674 10 0 ADAERN Cc1cc(C2(O)CC2)ccn1 235852594 573967358 /nfs/dbraw/zinc/96/73/58/573967358.db2.gz MDLJZTJOYCTBBB-UHFFFAOYSA-N 0 0 149.193 1.371 10 0 ADAERN Oc1ccc(NC2COC2)cc1F 87597412 573967380 /nfs/dbraw/zinc/96/73/80/573967380.db2.gz BPJXUNTXZATFEF-UHFFFAOYSA-N 0 0 183.182 1.342 10 0 ADAERN CC(=O)CCc1nc(C)c[nH]1 259030001 573967383 /nfs/dbraw/zinc/96/73/83/573967383.db2.gz GGIXBTWIBQNLGZ-UHFFFAOYSA-N 0 0 152.197 1.240 10 0 ADAERN N[C@H](c1ccoc1)c1cscn1 87589651 573967388 /nfs/dbraw/zinc/96/73/88/573967388.db2.gz GDRCRJVVAMFILY-MRVPVSSYSA-N 0 0 180.232 1.784 10 0 ADAERN CC(=O)c1nc(-c2cscn2)no1 87596331 573967395 /nfs/dbraw/zinc/96/73/95/573967395.db2.gz PMRLCLHYNLRPMO-UHFFFAOYSA-N 0 0 195.203 1.396 10 0 ADAERN CCOCC[C@@H](O)CC(F)(F)F 53785820 573967419 /nfs/dbraw/zinc/96/74/19/573967419.db2.gz NIXWYQLXKWTYTH-ZCFIWIBFSA-N 0 0 186.173 1.726 10 0 ADAERN C[C@@H](CO)c1cc2c(cc1F)OCC2 258191905 573967435 /nfs/dbraw/zinc/96/74/35/573967435.db2.gz XLACTAJCUDXKOR-ZETCQYMHSA-N 0 0 196.221 1.856 10 0 ADAERN OCc1ccnc(-c2cscn2)n1 87596193 573967437 /nfs/dbraw/zinc/96/74/37/573967437.db2.gz QOVVQGRTOWLQGX-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN Cc1ccc(F)c(O)c1C[C@@H](C)O 258192027 573967452 /nfs/dbraw/zinc/96/74/52/573967452.db2.gz XNYADEUPTFBLJJ-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN O=C(c1cscn1)[C@H]1CCOC1 87588912 573967455 /nfs/dbraw/zinc/96/74/55/573967455.db2.gz DSSURGHHGJEQKN-LURJTMIESA-N 0 0 183.232 1.362 10 0 ADAERN Cc1cc(-c2ccc(=O)[nH]n2)ccn1 235856637 573967466 /nfs/dbraw/zinc/96/74/66/573967466.db2.gz AVSLBHPWTLEMLM-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1cc(O)c([C@H](C)CO)cc1F 258192015 573967497 /nfs/dbraw/zinc/96/74/97/573967497.db2.gz XNQKEQGHLHHFHI-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN CCOC[C@@H](O)c1cscn1 87589278 573967501 /nfs/dbraw/zinc/96/75/01/573967501.db2.gz ZFTODNTXYOSGLQ-SSDOTTSWSA-N 0 0 173.237 1.213 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)c1ncccn1 53785065 573967527 /nfs/dbraw/zinc/96/75/27/573967527.db2.gz RKDBYISYPPFZGN-DTWKUNHWSA-N 0 0 194.234 1.079 10 0 ADAERN O=C(c1ccoc1)c1cscn1 87588975 573967530 /nfs/dbraw/zinc/96/75/30/573967530.db2.gz OHVAFFFORHLMIX-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN COC[C@H](C)N(C)c1cccc(F)n1 42519986 573967536 /nfs/dbraw/zinc/96/75/36/573967536.db2.gz 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573969952 /nfs/dbraw/zinc/96/99/52/573969952.db2.gz RVXKAIJPCQEFEL-VGMNWLOBSA-N 0 0 187.283 1.874 10 0 ADAERN CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](C)C(=O)[O-] 42555382 573969967 /nfs/dbraw/zinc/96/99/67/573969967.db2.gz SASULNMHNITTRZ-IWSPIJDZSA-N 0 0 187.283 1.731 10 0 ADAERN CC1(C)COC2(C=C[C@@H](O)CC2)OC1 238228750 573970003 /nfs/dbraw/zinc/97/00/03/573970003.db2.gz WLYHDHZMVICFLA-SECBINFHSA-N 0 0 198.262 1.467 10 0 ADAERN CCC1(CC)NC(=O)C1(C)C 238227717 573970015 /nfs/dbraw/zinc/97/00/15/573970015.db2.gz SHYIVLPIPHSICZ-UHFFFAOYSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H](O)[C@@H]1CSc2cccc(O)c21 258191583 573970026 /nfs/dbraw/zinc/97/00/26/573970026.db2.gz TYOKUZDZJSPOMJ-BQBZGAKWSA-N 0 0 196.271 1.962 10 0 ADAERN CC[C@H](C)[C@H](C)NC(=O)CC(C)=O 42559103 573970044 /nfs/dbraw/zinc/97/00/44/573970044.db2.gz GUTAXFQKQMRMQQ-CBAPKCEASA-N 0 0 185.267 1.516 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](CC(C)C)C1CC1 42558017 573970050 /nfs/dbraw/zinc/97/00/50/573970050.db2.gz VDHQRSNXIRLXRT-SNVBAGLBSA-N 0 0 199.294 1.970 10 0 ADAERN CN[C@H](C=C(C)C)c1cn[nH]n1 87600569 573972113 /nfs/dbraw/zinc/97/21/13/573972113.db2.gz MKQGYPIKTRYYFQ-SSDOTTSWSA-N 0 0 166.228 1.031 10 0 ADAERN CC(=O)N(C(N)=O)c1ccccc1 104395057 573972180 /nfs/dbraw/zinc/97/21/80/573972180.db2.gz PISQNYYKVIWAKE-UHFFFAOYSA-N 0 0 178.191 1.118 10 0 ADAERN C[C@H](CS(C)(=O)=O)n1cccc1 81905700 573972195 /nfs/dbraw/zinc/97/21/95/573972195.db2.gz MWZKGRARCPFXSZ-MRVPVSSYSA-N 0 0 187.264 1.094 10 0 ADAERN CC1CCC([C@H](O)c2cn[nH]n2)CC1 87599582 573972214 /nfs/dbraw/zinc/97/22/14/573972214.db2.gz UUQGNNBTDRMQJJ-KTOWXAHTSA-N 0 0 195.266 1.664 10 0 ADAERN CO[C@H]1CCc2c(N)cccc21 258463580 573972238 /nfs/dbraw/zinc/97/22/38/573972238.db2.gz HIQZNQKQUONAOY-JTQLQIEISA-N 0 0 163.220 1.903 10 0 ADAERN CN[C@H](c1cn[nH]n1)c1cccs1 87600837 573972254 /nfs/dbraw/zinc/97/22/54/573972254.db2.gz TXYCGYPRQSNKHY-MRVPVSSYSA-N 0 0 194.263 1.175 10 0 ADAERN C[NH2+][C@H](c1cnn[n-]1)C(C)(C)C 87600652 573972274 /nfs/dbraw/zinc/97/22/74/573972274.db2.gz XVGUMIXCIHQNRS-SSDOTTSWSA-N 0 0 168.244 1.111 10 0 ADAERN CC(C)(ON)C1CCC1 259590367 573972286 /nfs/dbraw/zinc/97/22/86/573972286.db2.gz ZMTMGIIZKVWYKH-UHFFFAOYSA-N 0 0 129.203 1.455 10 0 ADAERN COc1cc[nH+]c(C)c1O 81915515 573972293 /nfs/dbraw/zinc/97/22/93/573972293.db2.gz UAMIZXZBZBMPGQ-UHFFFAOYSA-N 0 0 139.154 1.104 10 0 ADAERN CC1(C)CO[C@](C)(c2ccccn2)N1 238229631 573972309 /nfs/dbraw/zinc/97/23/09/573972309.db2.gz YVYASCMQTLCPLS-LLVKDONJSA-N 0 0 192.262 1.653 10 0 ADAERN COc1cnc2c(C)[nH]nc2c1 104395129 573972319 /nfs/dbraw/zinc/97/23/19/573972319.db2.gz ZAQYSRPKLFYGTL-UHFFFAOYSA-N 0 0 163.180 1.275 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]1([NH3+])C(=O)[O-] 104391642 573972323 /nfs/dbraw/zinc/97/23/23/573972323.db2.gz HWHURYCMIFVWFY-IMTBSYHQSA-N 0 0 171.240 1.225 10 0 ADAERN O[C@H](c1cn[nH]n1)C1CCCC1 87599542 573972334 /nfs/dbraw/zinc/97/23/34/573972334.db2.gz AYPZFWUNRKBECO-QMMMGPOBSA-N 0 0 167.212 1.028 10 0 ADAERN CCCC(=O)N1CCC(=O)C1(C)C 259255007 573972336 /nfs/dbraw/zinc/97/23/36/573972336.db2.gz SWFOTQOXHNCFHS-UHFFFAOYSA-N 0 0 183.251 1.367 10 0 ADAERN FC(F)(Cl)[C@H]1CN=CO1 104393642 573972340 /nfs/dbraw/zinc/97/23/40/573972340.db2.gz UWZYXHVTBVNSLU-GSVOUGTGSA-N 0 0 155.531 1.245 10 0 ADAERN CC[C@@H]1COC[C@@]1(O)C1CC1 687952953 573972347 /nfs/dbraw/zinc/97/23/47/573972347.db2.gz IKKURCZNIHVELT-APPZFPTMSA-N 0 0 156.225 1.184 10 0 ADAERN Cc1nn(C)c2c(C)cc(N)cc12 259253965 573972373 /nfs/dbraw/zinc/97/23/73/573972373.db2.gz AQXFOSXJXRAKJK-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN CC(C)[C@H](CC[C@@H](C)[NH3+])CC(=O)[O-] 238229885 573972381 /nfs/dbraw/zinc/97/23/81/573972381.db2.gz UVFOONUACGJWDQ-RKDXNWHRSA-N 0 0 187.283 1.861 10 0 ADAERN C[NH2+][C@H](c1cnn[n-]1)C1CCCC1 87600813 573972383 /nfs/dbraw/zinc/97/23/83/573972383.db2.gz ABVOEKQGWMIREH-VIFPVBQESA-N 0 0 180.255 1.255 10 0 ADAERN CC[C@@H](C)[S@](=O)CCCC(C)=O 81915179 573972402 /nfs/dbraw/zinc/97/24/02/573972402.db2.gz PHMGMKWEMDUAPL-SKDRFNHKSA-N 0 0 190.308 1.903 10 0 ADAERN Cc1ccc(-c2ncc[nH]2)o1 104398960 573972430 /nfs/dbraw/zinc/97/24/30/573972430.db2.gz RHVWSAVWDITCLM-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN CNC(=O)O/C=C(\C)SC 104398431 573972433 /nfs/dbraw/zinc/97/24/33/573972433.db2.gz ORCJFQRLHBZNEI-SNAWJCMRSA-N 0 0 161.226 1.567 10 0 ADAERN CN1CCCC[C@@H]1c1coc(CO)n1 258192712 573972442 /nfs/dbraw/zinc/97/24/42/573972442.db2.gz WCRSJFOPCIYUSP-SECBINFHSA-N 0 0 196.250 1.324 10 0 ADAERN CCC1(CC)C=C[C@@H](O)O1 238229693 573972445 /nfs/dbraw/zinc/97/24/45/573972445.db2.gz OIGOYZPRZYLYNK-ZETCQYMHSA-N 0 0 142.198 1.450 10 0 ADAERN CO[C@@H]1CCc2c(N)cccc21 258463585 573972469 /nfs/dbraw/zinc/97/24/69/573972469.db2.gz HIQZNQKQUONAOY-SNVBAGLBSA-N 0 0 163.220 1.903 10 0 ADAERN CCCNC(=O)/C(Cl)=C/Cl 238230047 573972475 /nfs/dbraw/zinc/97/24/75/573972475.db2.gz JAEWIRUBTUAIRA-PLNGDYQASA-N 0 0 182.050 1.832 10 0 ADAERN CCOC(=O)N(C)c1ccc(N)nc1 259030113 573972501 /nfs/dbraw/zinc/97/25/01/573972501.db2.gz FHHKSSSFQJSGLK-UHFFFAOYSA-N 0 0 195.222 1.257 10 0 ADAERN CC(C)c1cc(CCO)no1 238229562 573972515 /nfs/dbraw/zinc/97/25/15/573972515.db2.gz WCWDQFHZRSRQRE-UHFFFAOYSA-N 0 0 155.197 1.333 10 0 ADAERN O=C([O-])Cc1cncn1C1CCCC1 104398930 573972523 /nfs/dbraw/zinc/97/25/23/573972523.db2.gz PBPVRESVUYYPMV-UHFFFAOYSA-N 0 0 194.234 1.625 10 0 ADAERN O=Cc1nccn1C1CCCC1 104393148 573972534 /nfs/dbraw/zinc/97/25/34/573972534.db2.gz WDDYTOBMWFLHEC-UHFFFAOYSA-N 0 0 164.208 1.811 10 0 ADAERN Cc1nnc(C(C)C)cc1C=O 238229075 573972550 /nfs/dbraw/zinc/97/25/50/573972550.db2.gz KXENMCSWGNUFEY-UHFFFAOYSA-N 0 0 164.208 1.721 10 0 ADAERN Cc1nc(-c2cc[nH]c2)sc1NN 259253988 573972560 /nfs/dbraw/zinc/97/25/60/573972560.db2.gz KNHTYYKRPOLRAF-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN CC1(C)[C@H]2C[C@@H]3[C@H](C2=O)[C@@]31C 238228975 573972586 /nfs/dbraw/zinc/97/25/86/573972586.db2.gz HBQAIGVKSCIBIV-JTGULSINSA-N 0 0 150.221 1.868 10 0 ADAERN C[C@@H](CS(C)(=O)=O)n1cccc1 81905699 573972605 /nfs/dbraw/zinc/97/26/05/573972605.db2.gz MWZKGRARCPFXSZ-QMMMGPOBSA-N 0 0 187.264 1.094 10 0 ADAERN CC[C@@H]1CCC[C@]1(C)O 104395801 573972608 /nfs/dbraw/zinc/97/26/08/573972608.db2.gz JLXXWMMFKNHSEO-SFYZADRCSA-N 0 0 128.215 1.948 10 0 ADAERN CC1(C)CCC[C@H](O)O1 81915252 573972638 /nfs/dbraw/zinc/97/26/38/573972638.db2.gz NQDQKPGBVHXFEZ-ZCFIWIBFSA-N 0 0 130.187 1.284 10 0 ADAERN Nc1nnccc1Cc1ccccc1 104397259 573972654 /nfs/dbraw/zinc/97/26/54/573972654.db2.gz SKRNSGAJBKNLIG-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Cc1cc(Cl)c(N)nc1N 104392654 573972695 /nfs/dbraw/zinc/97/26/95/573972695.db2.gz DBIFVELLWBGNSP-UHFFFAOYSA-N 0 0 157.604 1.208 10 0 ADAERN CCC1(CC)SC[NH2+][C@@H]1C(=O)[O-] 238230005 573972697 /nfs/dbraw/zinc/97/26/97/573972697.db2.gz BNKXPADHWCQBPB-ZCFIWIBFSA-N 0 0 189.280 1.292 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCCO1 81915319 573972739 /nfs/dbraw/zinc/97/27/39/573972739.db2.gz QQFGIEKVRKWTCS-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@@H](C)[S@@](=O)CC(C)=O 81914531 573972756 /nfs/dbraw/zinc/97/27/56/573972756.db2.gz ZNEMWASRIZUGLY-GMSGAONNSA-N 0 0 162.254 1.123 10 0 ADAERN COc1c(O)ccc(C)c1C(C)(C)O 258194471 573972793 /nfs/dbraw/zinc/97/27/93/573972793.db2.gz XUSHQFFNABNVLV-UHFFFAOYSA-N 0 0 196.246 1.937 10 0 ADAERN CC[C@H](C)[S@](=O)CC(C)=O 81914543 573972812 /nfs/dbraw/zinc/97/28/12/573972812.db2.gz ZNEMWASRIZUGLY-XVKPBYJWSA-N 0 0 162.254 1.123 10 0 ADAERN CC(=O)Cc1cc(F)c(O)c(F)c1 104394481 573972830 /nfs/dbraw/zinc/97/28/30/573972830.db2.gz QAHZIEKZQOFJPK-UHFFFAOYSA-N 0 0 186.157 1.802 10 0 ADAERN CC(C)c1cc(C=O)cnn1 238229255 573972857 /nfs/dbraw/zinc/97/28/57/573972857.db2.gz VAOGFORULQXDAL-UHFFFAOYSA-N 0 0 150.181 1.413 10 0 ADAERN CC[C@H](C)[S@@](=O)CC(C)=O 81914535 573972892 /nfs/dbraw/zinc/97/28/92/573972892.db2.gz ZNEMWASRIZUGLY-OIBJUYFYSA-N 0 0 162.254 1.123 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccc[nH]1 259254541 573972909 /nfs/dbraw/zinc/97/29/09/573972909.db2.gz GOHYZAFWQKVRFQ-IUCAKERBSA-N 0 0 196.250 1.371 10 0 ADAERN CC1(C)C(=O)[C@@H]2C[C@H]1[C@@H]1C[C@H]21 238230022 573974729 /nfs/dbraw/zinc/97/47/29/573974729.db2.gz FQBUCVMCAXVPPS-OSMVPFSASA-N 0 0 150.221 1.868 10 0 ADAERN Cc1nnc(C(C)C)cc1CO 238229943 573974759 /nfs/dbraw/zinc/97/47/59/573974759.db2.gz VHDIIUAQBRSDSO-UHFFFAOYSA-N 0 0 166.224 1.401 10 0 ADAERN CC1(C)[C@]2(C)CC[C@@]1(C)[C@@H]([NH3+])C2=O 238229008 573974775 /nfs/dbraw/zinc/97/47/75/573974775.db2.gz OPXVKVXPCDYQBB-BKDNQFJXSA-N 0 0 181.279 1.729 10 0 ADAERN C[C@@H]1CCCC(C)(C)[C@@]1([NH3+])C(=O)[O-] 104391611 573974809 /nfs/dbraw/zinc/97/48/09/573974809.db2.gz JBRGMPCLGVAIGY-XCBNKYQSSA-N 0 0 185.267 1.615 10 0 ADAERN COC(F)(F)CF 81914880 573974827 /nfs/dbraw/zinc/97/48/27/573974827.db2.gz DGVQGDJEGZBBBK-UHFFFAOYSA-N 0 0 114.066 1.195 10 0 ADAERN O=C(Cc1cnccn1)c1ccc[nH]1 259254250 573974847 /nfs/dbraw/zinc/97/48/47/573974847.db2.gz UCQNNXKIPAKAJA-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN CC(C)c1cc(CO)c(Cl)nn1 238229963 573974858 /nfs/dbraw/zinc/97/48/58/573974858.db2.gz FMTMYWQTAMBRET-UHFFFAOYSA-N 0 0 186.642 1.746 10 0 ADAERN CC[N@@H+]1CCC[C@@H](CC(=O)[O-])[C@@H]1C 238229689 573974873 /nfs/dbraw/zinc/97/48/73/573974873.db2.gz RMAZMAGCXFNFBJ-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CCC1(CC)O[C@@H](C)C[C@@H]1O 238229277 573974885 /nfs/dbraw/zinc/97/48/85/573974885.db2.gz UILULPYDHUCCOH-YUMQZZPRSA-N 0 0 158.241 1.715 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@@](C)(O)C1 104392125 573974911 /nfs/dbraw/zinc/97/49/11/573974911.db2.gz PFIVGGPSGSAIKB-PRJMDXOYSA-N 0 0 128.215 1.803 10 0 ADAERN C/C=C/[C@@H](C)OC(C)=O 104393681 573974924 /nfs/dbraw/zinc/97/49/24/573974924.db2.gz ICPQNSSICXBOIU-BMMSZFGTSA-N 0 0 128.171 1.514 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@]1([NH3+])C(=O)[O-] 104391645 573974930 /nfs/dbraw/zinc/97/49/30/573974930.db2.gz HWHURYCMIFVWFY-MUWHJKNJSA-N 0 0 171.240 1.225 10 0 ADAERN COCOc1ccc2c(c1)CC(=O)C2 104398506 573974938 /nfs/dbraw/zinc/97/49/38/573974938.db2.gz QUQZPNVKGXCEMX-UHFFFAOYSA-N 0 0 192.214 1.337 10 0 ADAERN CC[C@@H]1CCC[C@@]1(C)O 104395796 573974964 /nfs/dbraw/zinc/97/49/64/573974964.db2.gz JLXXWMMFKNHSEO-HTQZYQBOSA-N 0 0 128.215 1.948 10 0 ADAERN COc1cc(C)c(F)c(N)n1 104392992 573974982 /nfs/dbraw/zinc/97/49/82/573974982.db2.gz FTEDIKKNTWACIX-UHFFFAOYSA-N 0 0 156.160 1.120 10 0 ADAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1(O)C(N)=O 238229194 573975001 /nfs/dbraw/zinc/97/50/01/573975001.db2.gz MRHRFBRUFOMLEB-WHGOUJPWSA-N 0 0 197.278 1.049 10 0 ADAERN C[C@@H]1CC(C)(O)C[C@H]1C 104395473 573975018 /nfs/dbraw/zinc/97/50/18/573975018.db2.gz LCBYBUZITFRHLW-RNFRBKRXSA-N 0 0 128.215 1.803 10 0 ADAERN CNC(=O)OCC(C)(C)C 81914367 573975026 /nfs/dbraw/zinc/97/50/26/573975026.db2.gz XHTVYMJXNXZHIB-UHFFFAOYSA-N 0 0 145.202 1.389 10 0 ADAERN CN1C(=O)N(C#N)C[C@@H]1C1CCCC1 259255275 573975027 /nfs/dbraw/zinc/97/50/27/573975027.db2.gz DNKDBSHXHKJFAT-SECBINFHSA-N 0 0 193.250 1.394 10 0 ADAERN CCC(=O)[C@]1(C)C(=O)[C@@H](C)[C@@H]1C 238229195 573975033 /nfs/dbraw/zinc/97/50/33/573975033.db2.gz DUEGOJAUOCYPRA-MHYGZLNHSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ccc([C@H](O)c2cn[nH]n2)cc1 87599536 573975093 /nfs/dbraw/zinc/97/50/93/573975093.db2.gz OJMOINVHUFNQHJ-JTQLQIEISA-N 0 0 189.218 1.195 10 0 ADAERN CC[C@H](C)COC(N)=O 81914615 573975113 /nfs/dbraw/zinc/97/51/13/573975113.db2.gz TVDAXWXGTHFBOO-YFKPBYRVSA-N 0 0 131.175 1.128 10 0 ADAERN COC(=O)[C@]1(C)C[C@H]2C=C[C@@H]1C2 104396771 573975124 /nfs/dbraw/zinc/97/51/24/573975124.db2.gz AEBDJCUTXUYLDC-QXFUBDJGSA-N 0 0 166.220 1.762 10 0 ADAERN CC(=O)c1nc(N)ccc1F 104392275 573975132 /nfs/dbraw/zinc/97/51/32/573975132.db2.gz NLZRGFIEDFAGKC-UHFFFAOYSA-N 0 0 154.144 1.006 10 0 ADAERN CC1CCC([C@@H](O)c2cn[nH]n2)CC1 87599584 573975136 /nfs/dbraw/zinc/97/51/36/573975136.db2.gz UUQGNNBTDRMQJJ-SFVIPPHHSA-N 0 0 195.266 1.664 10 0 ADAERN CC1(C)CNC(=O)CC(C)(C)N1N=O 238229316 573975144 /nfs/dbraw/zinc/97/51/44/573975144.db2.gz DSWGBLHBSMTKDC-UHFFFAOYSA-N 0 0 199.254 1.047 10 0 ADAERN Cc1cc(C)c([C@@H](N)NN)c(C)c1 259254550 573975152 /nfs/dbraw/zinc/97/51/52/573975152.db2.gz GOLIIGBBYZKEMV-JTQLQIEISA-N 0 0 179.267 1.032 10 0 ADAERN C[C@H](CCC1CC1)NC=O 81915005 573975158 /nfs/dbraw/zinc/97/51/58/573975158.db2.gz PINUUIILXCZOQF-SSDOTTSWSA-N 0 0 141.214 1.311 10 0 ADAERN CN[C@@H](C=C(C)C)c1cn[nH]n1 87600568 573975228 /nfs/dbraw/zinc/97/52/28/573975228.db2.gz MKQGYPIKTRYYFQ-ZETCQYMHSA-N 0 0 166.228 1.031 10 0 ADAERN CC(C)c1cc(CO)cnn1 238230055 573975252 /nfs/dbraw/zinc/97/52/52/573975252.db2.gz FNWGYXNNJLKJIT-UHFFFAOYSA-N 0 0 152.197 1.092 10 0 ADAERN CC1=C[C@@H](O)C[C@H](C)C1 81915551 573975266 /nfs/dbraw/zinc/97/52/66/573975266.db2.gz DJYRWBAIPZTBAJ-HTQZYQBOSA-N 0 0 126.199 1.724 10 0 ADAERN CCC[C@H]1C[C@H](C(N)=S)CCO1 238229378 573975300 /nfs/dbraw/zinc/97/53/00/573975300.db2.gz JFLQSXFRUZSVGI-SFYZADRCSA-N 0 0 187.308 1.868 10 0 ADAERN CN1C(=O)N(C#N)C[C@H]1C1CCCC1 259255278 573975316 /nfs/dbraw/zinc/97/53/16/573975316.db2.gz DNKDBSHXHKJFAT-VIFPVBQESA-N 0 0 193.250 1.394 10 0 ADAERN CCOC(=O)C1=C(C)NCC=C1C 104394156 573975321 /nfs/dbraw/zinc/97/53/21/573975321.db2.gz XOXUANLIPUVFOG-UHFFFAOYSA-N 0 0 181.235 1.373 10 0 ADAERN COc1nc(N)c(F)cc1C 104392988 573975366 /nfs/dbraw/zinc/97/53/66/573975366.db2.gz VGHYJJLPCSSHLI-UHFFFAOYSA-N 0 0 156.160 1.120 10 0 ADAERN CCC(=O)[C@@]1(C)CCCC1=O 238228978 573975370 /nfs/dbraw/zinc/97/53/70/573975370.db2.gz RFUHAPYXHXOOQU-SECBINFHSA-N 0 0 154.209 1.725 10 0 ADAERN CC1=CCCC(C)(C)[C@]1(O)CCO 238229572 573975375 /nfs/dbraw/zinc/97/53/75/573975375.db2.gz FIWDXAOQJPKEIX-NSHDSACASA-N 0 0 184.279 1.866 10 0 ADAERN CC1(C)CO[C@@H]([C@H]2CCC=CO2)[NH2+]1 238229181 573975384 /nfs/dbraw/zinc/97/53/84/573975384.db2.gz SBOFJUQEFALSIN-BDAKNGLRSA-N 0 0 183.251 1.404 10 0 ADAERN CC[C@@H](C)[S@](=O)CC(C)=O 81914541 573975404 /nfs/dbraw/zinc/97/54/04/573975404.db2.gz ZNEMWASRIZUGLY-XCBNKYQSSA-N 0 0 162.254 1.123 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@H](O)c2cn[nH]n2)C1 87599307 573975415 /nfs/dbraw/zinc/97/54/15/573975415.db2.gz DPOSNWSJDWEFLV-MRTMQBJTSA-N 0 0 195.266 1.664 10 0 ADAERN CCOC(=O)c1cnc(C)n1CC 259254366 573975418 /nfs/dbraw/zinc/97/54/18/573975418.db2.gz FBODOGVIWZBBBH-UHFFFAOYSA-N 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/nfs/dbraw/zinc/97/80/59/573978059.db2.gz UCNMPDVFPZZSDS-SNVBAGLBSA-N 0 0 162.254 1.123 10 0 ADAERN CC(C)Cc1ncc(C[C@H](C)O)o1 258193740 573978068 /nfs/dbraw/zinc/97/80/68/573978068.db2.gz SSHZOCMMEJZLEK-QMMMGPOBSA-N 0 0 183.251 1.796 10 0 ADAERN COc1cc(N)cc2c(C)n(C)nc12 259257154 573978070 /nfs/dbraw/zinc/97/80/70/573978070.db2.gz AVDGXAGANOADDP-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN Fc1ccccc1Oc1nnns1 259030252 573978076 /nfs/dbraw/zinc/97/80/76/573978076.db2.gz KCEIJVVCBADMBA-UHFFFAOYSA-N 0 0 197.194 1.865 10 0 ADAERN CC(=O)C[S@](=O)C1CCCC1 81919284 573978094 /nfs/dbraw/zinc/97/80/94/573978094.db2.gz DBUMFYQJVGQSMR-LLVKDONJSA-N 0 0 174.265 1.267 10 0 ADAERN CCCCC(=S)NC 81954125 573978103 /nfs/dbraw/zinc/97/81/03/573978103.db2.gz NWZZXCVDVIJFQO-UHFFFAOYSA-N 0 0 131.244 1.723 10 0 ADAERN COc1c(O)ccc(CCO)c1F 258194280 573978108 /nfs/dbraw/zinc/97/81/08/573978108.db2.gz XRGSJQWWEKWBIH-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN C[C@@H]1c2cc(O)ccc2CC[C@H]1O 259257125 573978150 /nfs/dbraw/zinc/97/81/50/573978150.db2.gz LJBIQXJSQUYQDH-RDDDGLTNSA-N 0 0 178.231 1.803 10 0 ADAERN COC(OC)[C@]1(C)NCCCS1 87603565 573978156 /nfs/dbraw/zinc/97/81/56/573978156.db2.gz UBKZSJLYPNPXEA-MRVPVSSYSA-N 0 0 191.296 1.048 10 0 ADAERN CC(C)(C)[S@](=O)C1=C(O)CCC1 81915974 573978163 /nfs/dbraw/zinc/97/81/63/573978163.db2.gz GRFNJEBJORBAPK-PELKAZGASA-N 0 0 188.292 1.655 10 0 ADAERN CC(=O)[C@H](C)[S@@](=O)C(C)C 81918630 573978227 /nfs/dbraw/zinc/97/82/27/573978227.db2.gz RPERQWIVQMNWPI-OIBJUYFYSA-N 0 0 162.254 1.121 10 0 ADAERN [NH2+]=C1CCCc2cnncc2C1 238561756 573978229 /nfs/dbraw/zinc/97/82/29/573978229.db2.gz FHGVNJLLXOAADA-UHFFFAOYSA-N 0 0 161.208 1.375 10 0 ADAERN CCC[S@](=O)C1=C(O)CCC1 81916176 573978234 /nfs/dbraw/zinc/97/82/34/573978234.db2.gz LCBGDSZFBHCWIG-GZMMTYOYSA-N 0 0 174.265 1.267 10 0 ADAERN CC(C)[S@@](=O)C1=C(O)CCC1 81918761 573978238 /nfs/dbraw/zinc/97/82/38/573978238.db2.gz GVGOLHHPEWBZQH-KWQFWETISA-N 0 0 174.265 1.265 10 0 ADAERN CC(C)C[C@@H](C)[N@H+](C)[C@@H](C)C(=O)[O-] 42585468 573978245 /nfs/dbraw/zinc/97/82/45/573978245.db2.gz HBTOYBPOKXHKQJ-BDAKNGLRSA-N 0 0 187.283 1.826 10 0 ADAERN CC[S@](=O)[C@H]1CCCCC1=O 81915744 573978246 /nfs/dbraw/zinc/97/82/46/573978246.db2.gz OVVCJTVHEGSNOY-GZMMTYOYSA-N 0 0 174.265 1.267 10 0 ADAERN Cc1nc(-c2cc(C)sc2N)n[nH]1 110778368 573978353 /nfs/dbraw/zinc/97/83/53/573978353.db2.gz RMZBXBCCRZSTLC-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN CCCCC(=N)Nc1cc[nH]n1 238222021 573978419 /nfs/dbraw/zinc/97/84/19/573978419.db2.gz SQVMVUNIABLKTR-UHFFFAOYSA-N 0 0 166.228 1.989 10 0 ADAERN CC1(C)[C@H]2C[C@@H](O)[C@]1(C)C[C@H]2O 104402263 573978437 /nfs/dbraw/zinc/97/84/37/573978437.db2.gz HLVIHBJQDKVEAL-WHQQTDPMSA-N 0 0 170.252 1.164 10 0 ADAERN CC(C)(C)Nc1ncco1 104401713 573978443 /nfs/dbraw/zinc/97/84/43/573978443.db2.gz MSASIXVAMJSWKI-UHFFFAOYSA-N 0 0 140.186 1.885 10 0 ADAERN CC[S@](=O)[C@@H]1CCCCC1=O 81915742 573978464 /nfs/dbraw/zinc/97/84/64/573978464.db2.gz OVVCJTVHEGSNOY-LDYMZIIASA-N 0 0 174.265 1.267 10 0 ADAERN CC(C)(C)[S@@](=O)C1=C(O)CCC1 81915975 573978526 /nfs/dbraw/zinc/97/85/26/573978526.db2.gz GRFNJEBJORBAPK-QPUJVOFHSA-N 0 0 188.292 1.655 10 0 ADAERN CCC(=O)Oc1ccc(O)cc1F 238221863 573978535 /nfs/dbraw/zinc/97/85/35/573978535.db2.gz ODUOXNKOFGCJSO-UHFFFAOYSA-N 0 0 184.166 1.847 10 0 ADAERN CC1(C)CC[C@]2(OCC[C@H]2O)O1 238221413 573978555 /nfs/dbraw/zinc/97/85/55/573978555.db2.gz NQOTYJLBIVHJJQ-APPZFPTMSA-N 0 0 172.224 1.053 10 0 ADAERN C[NH+](C)C[C@H](Cc1ccco1)C(=O)[O-] 258194076 573978577 /nfs/dbraw/zinc/97/85/77/573978577.db2.gz JAXSJEAJZAFNRG-QMMMGPOBSA-N 0 0 197.234 1.085 10 0 ADAERN COc1ccc(-c2nccn2N)cc1 104399961 573978635 /nfs/dbraw/zinc/97/86/35/573978635.db2.gz AIMNGCFYHBLXMA-UHFFFAOYSA-N 0 0 189.218 1.273 10 0 ADAERN CC(C)c1cn2ccnc(N)c2n1 238221018 573978662 /nfs/dbraw/zinc/97/86/62/573978662.db2.gz BAEDRABZCVURHK-UHFFFAOYSA-N 0 0 176.223 1.435 10 0 ADAERN CCC1(CC)S[C@@H](C)NC1=O 238230101 573978667 /nfs/dbraw/zinc/97/86/67/573978667.db2.gz GCVOARCAJZQPSJ-LURJTMIESA-N 0 0 173.281 1.754 10 0 ADAERN COC(=O)[C@@H](O)c1cccc(CF)c1 258194222 573978678 /nfs/dbraw/zinc/97/86/78/573978678.db2.gz XQGFJKRRYRZQSS-VIFPVBQESA-N 0 0 198.193 1.363 10 0 ADAERN Cc1ccc(C)c(S[C@@H](O)C[NH3+])c1 259256169 573980343 /nfs/dbraw/zinc/98/03/43/573980343.db2.gz PJBGUZGCEBUNJF-SNVBAGLBSA-N 0 0 197.303 1.673 10 0 ADAERN CC1=CC(C)(C)CC2=NCCN[C@H]12 238223755 573980365 /nfs/dbraw/zinc/98/03/65/573980365.db2.gz IAMRHFGUWXUIHL-SNVBAGLBSA-N 0 0 178.279 1.775 10 0 ADAERN CCc1cc(-c2nc[nH]n2)c(N)s1 110774210 573980380 /nfs/dbraw/zinc/98/03/80/573980380.db2.gz RXHMKUVIRWSLES-UHFFFAOYSA-N 0 0 194.263 1.678 10 0 ADAERN CC[C@@H](C)[C@H](O)c1c[nH]cn1 104401397 573980383 /nfs/dbraw/zinc/98/03/83/573980383.db2.gz POTZHSFOYCZEMF-SVRRBLITSA-N 0 0 154.213 1.489 10 0 ADAERN C1=C[C@@H]2C[C@H]1C[C@H]2C1OCCO1 104406177 573979495 /nfs/dbraw/zinc/97/94/95/573979495.db2.gz BHNFGALCFATBNA-DJLDLDEBSA-N 0 0 166.220 1.572 10 0 ADAERN Cc1cc([C@@H](NN)C2CCC2)ccn1 235865268 573979518 /nfs/dbraw/zinc/97/95/18/573979518.db2.gz YMXBCIKVIOOTGN-NSHDSACASA-N 0 0 191.278 1.695 10 0 ADAERN CCCCC(=O)C1(O)CCC1 238222674 573979541 /nfs/dbraw/zinc/97/95/41/573979541.db2.gz SESIZAHUCGBEDO-UHFFFAOYSA-N 0 0 156.225 1.661 10 0 ADAERN CCC[S@@](=O)CCC(C)=O 81916055 573979543 /nfs/dbraw/zinc/97/95/43/573979543.db2.gz ICVKSYNIWVPJEE-JTQLQIEISA-N 0 0 162.254 1.124 10 0 ADAERN CC1(C)CCC(=O)[C@H](O)CC1 238223991 573979566 /nfs/dbraw/zinc/97/95/66/573979566.db2.gz HKSRPPZLHKLYIK-SSDOTTSWSA-N 0 0 156.225 1.517 10 0 ADAERN CCS[C@H](CC)CO 81947802 573979577 /nfs/dbraw/zinc/97/95/77/573979577.db2.gz SYUNKXGLOUFKSU-ZCFIWIBFSA-N 0 0 134.244 1.510 10 0 ADAERN C[C@H]1Nc2cc(N)ccc2SC1=O 259256079 573979586 /nfs/dbraw/zinc/97/95/86/573979586.db2.gz OBOJOQVCFCPTDK-RXMQYKEDSA-N 0 0 194.259 1.702 10 0 ADAERN CCC1(CC)C(=O)N[C@H](C)[C@@H](C)C1=O 238223595 573979587 /nfs/dbraw/zinc/97/95/87/573979587.db2.gz PJWDFPYMEKROMG-HTQZYQBOSA-N 0 0 197.278 1.516 10 0 ADAERN CCCc1c[nH]c(=O)[nH]c1=S 238223258 573979595 /nfs/dbraw/zinc/97/95/95/573979595.db2.gz BOCHNKXWKCSTSS-UHFFFAOYSA-N 0 0 170.237 1.011 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H]1N[C@H](C)CS1 87603522 573979596 /nfs/dbraw/zinc/97/95/96/573979596.db2.gz GQSFBOQNDNMCBY-MLUIRONXSA-N 0 0 197.307 1.750 10 0 ADAERN CONCc1cc(F)c(C)cc1F 258194291 573979609 /nfs/dbraw/zinc/97/96/09/573979609.db2.gz XRKUEWMAUGYCTB-UHFFFAOYSA-N 0 0 187.189 1.924 10 0 ADAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@]1([NH3+])C(=O)[O-] 104401471 573979660 /nfs/dbraw/zinc/97/96/60/573979660.db2.gz WUBBLPSXFGSIIA-WHGOUJPWSA-N 0 0 197.278 1.615 10 0 ADAERN Nn1ccnc1CCc1ccccc1 104399623 573979667 /nfs/dbraw/zinc/97/96/67/573979667.db2.gz VBDVUHXDXSKLQV-UHFFFAOYSA-N 0 0 187.246 1.382 10 0 ADAERN CC(C)C[N@H+](C(C)C)[C@H](C)C(=O)[O-] 42585770 573979680 /nfs/dbraw/zinc/97/96/80/573979680.db2.gz JSBQYFIWYRPUEF-SECBINFHSA-N 0 0 187.283 1.826 10 0 ADAERN Cc1ccc(C)c(S[C@H](O)C[NH3+])c1 259256165 573979705 /nfs/dbraw/zinc/97/97/05/573979705.db2.gz PJBGUZGCEBUNJF-JTQLQIEISA-N 0 0 197.303 1.673 10 0 ADAERN CC(=O)[C@H](C)[S@](=O)CC(C)C 81917263 573979738 /nfs/dbraw/zinc/97/97/38/573979738.db2.gz JWXMTJUZMCPTTQ-KWQFWETISA-N 0 0 176.281 1.369 10 0 ADAERN CC(=O)CC[S@](=O)C(C)C 81918623 573979745 /nfs/dbraw/zinc/97/97/45/573979745.db2.gz FINVYICRRWAFBN-SNVBAGLBSA-N 0 0 162.254 1.123 10 0 ADAERN C=C/C=C\CC[C@H](COC1CC1)NN 716890789 573979751 /nfs/dbraw/zinc/97/97/51/573979751.db2.gz CAKYVRNJABKVMS-UMBAGQNISA-N 0 0 196.294 1.520 10 0 ADAERN CC/C=C/COC(=O)CC 81948576 573979753 /nfs/dbraw/zinc/97/97/53/573979753.db2.gz TVWTWFOQTIIHEO-AATRIKPKSA-N 0 0 142.198 1.906 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)ncn2C 258194251 573979758 /nfs/dbraw/zinc/97/97/58/573979758.db2.gz XQRAJRHMRLHCRF-MRVPVSSYSA-N 0 0 190.246 1.669 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H]1N[C@@H](C)CS1 87603524 573979761 /nfs/dbraw/zinc/97/97/61/573979761.db2.gz GQSFBOQNDNMCBY-SSDLBLMSSA-N 0 0 197.307 1.750 10 0 ADAERN CC(=O)C[C@H]([NH3+])c1ccccc1F 259256949 573979783 /nfs/dbraw/zinc/97/97/83/573979783.db2.gz GRQYLHCTGZKBDE-JTQLQIEISA-N 0 0 181.210 1.805 10 0 ADAERN CCCc1cnc(=O)[nH]c1Cl 238223677 573979785 /nfs/dbraw/zinc/97/97/85/573979785.db2.gz GDEJGRBUXDJMNZ-UHFFFAOYSA-N 0 0 172.615 1.788 10 0 ADAERN CC(=O)CC[S@@](=O)C(C)(C)C 81915827 573979786 /nfs/dbraw/zinc/97/97/86/573979786.db2.gz UCKICQDOQZJVCV-NSHDSACASA-N 0 0 176.281 1.513 10 0 ADAERN CCc1c[nH]c(-c2nc(CC)c[nH]2)n1 104401929 573979805 /nfs/dbraw/zinc/97/98/05/573979805.db2.gz NKXUOSPRSZNALD-UHFFFAOYSA-N 0 0 190.250 1.925 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](CC1CC1)C(C)C 42585955 573979809 /nfs/dbraw/zinc/97/98/09/573979809.db2.gz MMYLHGUMDWGTDU-SNVBAGLBSA-N 0 0 199.294 1.970 10 0 ADAERN Nc1ccc(F)c(Cc2c[nH]cn2)c1 104399625 573979831 /nfs/dbraw/zinc/97/98/31/573979831.db2.gz XBRZKWIZMCQPDW-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN CC(=O)[C@H](C)[S@@](=O)CC(C)C 81917264 573979846 /nfs/dbraw/zinc/97/98/46/573979846.db2.gz JWXMTJUZMCPTTQ-GZMMTYOYSA-N 0 0 176.281 1.369 10 0 ADAERN CC(=O)[C@@H](C)[S@](=O)C(C)C 81918631 573979852 /nfs/dbraw/zinc/97/98/52/573979852.db2.gz RPERQWIVQMNWPI-XCBNKYQSSA-N 0 0 162.254 1.121 10 0 ADAERN CCC(=O)CCSCCOC 393600944 573979882 /nfs/dbraw/zinc/97/98/82/573979882.db2.gz SCSVIBOTEZNSPR-UHFFFAOYSA-N 0 0 176.281 1.735 10 0 ADAERN Nc1ccc(C2CC([NH3+])C2)cc1[S-] 259255580 573979896 /nfs/dbraw/zinc/97/98/96/573979896.db2.gz AMCLKYMSIMIGBJ-UHFFFAOYSA-N 0 0 194.303 1.762 10 0 ADAERN CC[C@]1(C)CCOC(=O)N1 258463662 573979897 /nfs/dbraw/zinc/97/98/97/573979897.db2.gz HJIWEGBTEXODGE-SSDOTTSWSA-N 0 0 143.186 1.285 10 0 ADAERN CC(=O)Cc1cc(O)cc(C)c1F 258194216 573979926 /nfs/dbraw/zinc/97/99/26/573979926.db2.gz XQFUDNPVYUEPTH-UHFFFAOYSA-N 0 0 182.194 1.971 10 0 ADAERN CCC1(C/C=C(/C)CO)OCCO1 238222560 573979947 /nfs/dbraw/zinc/97/99/47/573979947.db2.gz AIZFOKUNTSLQTL-WTKPLQERSA-N 0 0 186.251 1.468 10 0 ADAERN COc1cc(N)cc2c(C)[nH]nc12 259257059 573979955 /nfs/dbraw/zinc/97/99/55/573979955.db2.gz ATXZKWTXMGMOOK-UHFFFAOYSA-N 0 0 177.207 1.462 10 0 ADAERN COc1cc(C=O)cc2cnoc12 259257161 573979963 /nfs/dbraw/zinc/97/99/63/573979963.db2.gz AVGOLLGTQGATAJ-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN Cc1ccc2sc(=O)[nH]c(=O)c2c1 81956791 573980018 /nfs/dbraw/zinc/98/00/18/573980018.db2.gz KTJCDSSAAMVGNA-UHFFFAOYSA-N 0 0 193.227 1.258 10 0 ADAERN Cc1c(-c2ccc(N)nc2)cnn1C 85112253 573980020 /nfs/dbraw/zinc/98/00/20/573980020.db2.gz RIORWIAXSKESEF-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCC(=O)[C@@H](C)[C@H](C)C(C)=O 238224221 573980039 /nfs/dbraw/zinc/98/00/39/573980039.db2.gz TYFDYNINVWBRDS-BQBZGAKWSA-N 0 0 156.225 1.827 10 0 ADAERN C[NH2+][C@H](CCC(C)=O)c1ccccn1 259256211 573980072 /nfs/dbraw/zinc/98/00/72/573980072.db2.gz HKNSEPFCTXLEJD-SNVBAGLBSA-N 0 0 192.262 1.711 10 0 ADAERN CCCPC 81948010 573980084 /nfs/dbraw/zinc/98/00/84/573980084.db2.gz LVVACMOOTCZPBO-UHFFFAOYSA-N 0 0 90.106 1.705 10 0 ADAERN C[C@@H]1Nc2cc(N)ccc2SC1=O 259256083 573980087 /nfs/dbraw/zinc/98/00/87/573980087.db2.gz OBOJOQVCFCPTDK-YFKPBYRVSA-N 0 0 194.259 1.702 10 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/nfs/dbraw/zinc/98/01/80/573980180.db2.gz NNCKCRLOJDLIKI-JOYOIKCWSA-N 0 0 188.292 1.657 10 0 ADAERN CCCCc1nc([C@@H](N)COC)no1 127966223 573980198 /nfs/dbraw/zinc/98/01/98/573980198.db2.gz ANNZOLHFLPAKMS-ZETCQYMHSA-N 0 0 199.254 1.058 10 0 ADAERN Oc1cccc(O)c1-c1ncc[nH]1 104401419 573980206 /nfs/dbraw/zinc/98/02/06/573980206.db2.gz OASKCZZWITYIPR-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN C[C@H]1C[C@H](C)CC(C[NH3+])(CC(=O)[O-])C1 85113704 573980213 /nfs/dbraw/zinc/98/02/13/573980213.db2.gz RITSSYUURQCBAD-IUCAKERBSA-N 0 0 199.294 1.862 10 0 ADAERN CC(=O)[C@@H](C)[S@](=O)C1CCCC1 81919252 573980214 /nfs/dbraw/zinc/98/02/14/573980214.db2.gz ZBKFXHUEMWABPU-PRHODGIISA-N 0 0 188.292 1.655 10 0 ADAERN Oc1ccccc1[C@@H]1C[C@@H]1O 259257017 573980215 /nfs/dbraw/zinc/98/02/15/573980215.db2.gz LHUGEPKPKXRQGA-CBAPKCEASA-N 0 0 150.177 1.240 10 0 ADAERN CCC(=O)C[S@](=O)C(C)C 81918796 573980218 /nfs/dbraw/zinc/98/02/18/573980218.db2.gz MLQKXAWKROJYGB-SNVBAGLBSA-N 0 0 162.254 1.123 10 0 ADAERN CCC[N@H+](C)C[C@@H](C(=O)[O-])C(C)C 259031687 573980226 /nfs/dbraw/zinc/98/02/26/573980226.db2.gz QLADILOXONWCGW-SECBINFHSA-N 0 0 187.283 1.685 10 0 ADAERN CC1=CC(C)(C)C[C@H](O)O1 238223965 573980227 /nfs/dbraw/zinc/98/02/27/573980227.db2.gz XMLIDUMITZIFOT-SSDOTTSWSA-N 0 0 142.198 1.655 10 0 ADAERN CC(C)C[C@H](C)[N@H+](C)[C@@H](C)C(=O)[O-] 42585470 573980234 /nfs/dbraw/zinc/98/02/34/573980234.db2.gz HBTOYBPOKXHKQJ-IUCAKERBSA-N 0 0 187.283 1.826 10 0 ADAERN CCCC[S@@](=O)CC(C)=O 81917991 573980236 /nfs/dbraw/zinc/98/02/36/573980236.db2.gz YHNGEQOMJIKEOY-JTQLQIEISA-N 0 0 162.254 1.124 10 0 ADAERN CCC[C@H](CO)[C@@H](C)CO 81948695 573980250 /nfs/dbraw/zinc/98/02/50/573980250.db2.gz VKYYRXODWWYJHR-JGVFFNPUSA-N 0 0 146.230 1.023 10 0 ADAERN C[C@@](F)(C[NH3+])Cc1ccc(O)cc1 158228769 573980253 /nfs/dbraw/zinc/98/02/53/573980253.db2.gz IAOJBJVSKTZNAZ-JTQLQIEISA-N 0 0 183.226 1.622 10 0 ADAERN CCC[C@H](CO)[C@H](C)CO 81948698 573980264 /nfs/dbraw/zinc/98/02/64/573980264.db2.gz VKYYRXODWWYJHR-HTQZYQBOSA-N 0 0 146.230 1.023 10 0 ADAERN COC(=O)c1nc(C)nc2c1CCC2 259589124 573980290 /nfs/dbraw/zinc/98/02/90/573980290.db2.gz YHYRXCRKXDBGLZ-UHFFFAOYSA-N 0 0 192.218 1.060 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H]1NC[C@@H](C)S1 87603009 573980298 /nfs/dbraw/zinc/98/02/98/573980298.db2.gz IRRKSIHTMPKVEM-MLUIRONXSA-N 0 0 197.307 1.750 10 0 ADAERN CCOc1ccc(NCNN)cc1C 259031676 573980327 /nfs/dbraw/zinc/98/03/27/573980327.db2.gz IDCYCVQYWPOGBX-UHFFFAOYSA-N 0 0 195.266 1.226 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H]1NC[C@H](C)S1 87603007 573980329 /nfs/dbraw/zinc/98/03/29/573980329.db2.gz IRRKSIHTMPKVEM-SSDLBLMSSA-N 0 0 197.307 1.750 10 0 ADAERN Nn1ccnc1-c1ccccc1 104399959 573980335 /nfs/dbraw/zinc/98/03/35/573980335.db2.gz QWWFWOOTFZWVSB-UHFFFAOYSA-N 0 0 159.192 1.264 10 0 ADAERN CC[NH2+][C@](C)(CSCC)C(=O)[O-] 45553335 573983864 /nfs/dbraw/zinc/98/38/64/573983864.db2.gz LUVUYQRCWGZGTH-MRVPVSSYSA-N 0 0 191.296 1.192 10 0 ADAERN CC1(C)CNC(=O)C2(CC2)C1 238224821 573983871 /nfs/dbraw/zinc/98/38/71/573983871.db2.gz RJWOJRWYLJMHNR-UHFFFAOYSA-N 0 0 153.225 1.313 10 0 ADAERN CCCCC[C@@H](C)NC(=S)NN 42572109 573983874 /nfs/dbraw/zinc/98/38/74/573983874.db2.gz QQJCTYNZYKDZOO-SSDOTTSWSA-N 0 0 189.328 1.293 10 0 ADAERN C[C@H](O)Cc1cccc([C@H](C)CO)c1 259257779 573983897 /nfs/dbraw/zinc/98/38/97/573983897.db2.gz AIKLIMZBYYYBDE-ZJUUUORDSA-N 0 0 194.274 1.706 10 0 ADAERN CC1=CC(C)(C)[C@@H](CO)C[C@H]1O 238224740 573983899 /nfs/dbraw/zinc/98/38/99/573983899.db2.gz AJUJKMWVNWXOIA-RKDXNWHRSA-N 0 0 170.252 1.332 10 0 ADAERN CCCc1nc(C)c(C=O)o1 238225805 573983904 /nfs/dbraw/zinc/98/39/04/573983904.db2.gz JPLJFOZGYBRIRK-UHFFFAOYSA-N 0 0 153.181 1.748 10 0 ADAERN CCC[C@H](C)OCCO 82048030 573983941 /nfs/dbraw/zinc/98/39/41/573983941.db2.gz OJJUCAQFBVCYIW-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN CC1=CC(C)(C)[C@@H](CO)C[C@@H]1O 238224729 573983978 /nfs/dbraw/zinc/98/39/78/573983978.db2.gz AJUJKMWVNWXOIA-BDAKNGLRSA-N 0 0 170.252 1.332 10 0 ADAERN C[C@H]([NH3+])[C@@](C)(CC(=O)[O-])C1CC1 85115915 573983986 /nfs/dbraw/zinc/98/39/86/573983986.db2.gz TWAOYXXLRXGHGG-IMTBSYHQSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]1CCC[C@](C[NH3+])(CC(=O)[O-])[C@@H]1C 85114075 573983995 /nfs/dbraw/zinc/98/39/95/573983995.db2.gz JQZIJMXECBOBJK-FXPVBKGRSA-N 0 0 199.294 1.862 10 0 ADAERN CC1(C)CC[C@@](C)(O)C(=O)C1 238225113 573983317 /nfs/dbraw/zinc/98/33/17/573983317.db2.gz NNXUYRGIDPXCOW-SECBINFHSA-N 0 0 156.225 1.517 10 0 ADAERN OCc1ccccc1-c1ncccn1 104453255 573983324 /nfs/dbraw/zinc/98/33/24/573983324.db2.gz OYTXNBXUGPRKHT-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN CC1=CC(C)(C)[C@H](CC(N)=O)C1 238225009 573983343 /nfs/dbraw/zinc/98/33/43/573983343.db2.gz SNZHAPASPMBOQN-QMMMGPOBSA-N 0 0 167.252 1.854 10 0 ADAERN CC[C@@](C)(CO)[C@@H](C)CO 82058559 573983367 /nfs/dbraw/zinc/98/33/67/573983367.db2.gz UPFQUOWXDNUBNS-YUMQZZPRSA-N 0 0 146.230 1.023 10 0 ADAERN CCSC[C@@H]([NH2+]C(C)C)C(=O)[O-] 45553510 573983380 /nfs/dbraw/zinc/98/33/80/573983380.db2.gz FCOWKKJVOYABOY-SSDOTTSWSA-N 0 0 191.296 1.191 10 0 ADAERN CCC1(CC)CCC(=O)O[C@H]1O 238224430 573983386 /nfs/dbraw/zinc/98/33/86/573983386.db2.gz GAFGHNDTEWFPQD-MRVPVSSYSA-N 0 0 172.224 1.448 10 0 ADAERN CCCNc1ncc2ncn(C)c2n1 238225767 573983419 /nfs/dbraw/zinc/98/34/19/573983419.db2.gz QCWLATHRGIZJOX-UHFFFAOYSA-N 0 0 191.238 1.185 10 0 ADAERN CC(C)[C@@H](C)N(C)C=O 82039980 573983424 /nfs/dbraw/zinc/98/34/24/573983424.db2.gz WJBFOGYGXQSIRX-SSDOTTSWSA-N 0 0 129.203 1.119 10 0 ADAERN NNSc1ccc(F)cc1 259258335 573983447 /nfs/dbraw/zinc/98/34/47/573983447.db2.gz PPNKERCHEFSPJD-UHFFFAOYSA-N 0 0 158.201 1.296 10 0 ADAERN C[NH2+][C@@H](CCCO)c1ccccc1F 259589454 573983481 /nfs/dbraw/zinc/98/34/81/573983481.db2.gz XRRPRILUDWTYPU-NSHDSACASA-N 0 0 197.253 1.859 10 0 ADAERN O[C@H]1CCc2ccc(F)cc2C1 82088533 573983492 /nfs/dbraw/zinc/98/34/92/573983492.db2.gz JQVAWADGKQIRSM-JTQLQIEISA-N 0 0 166.195 1.675 10 0 ADAERN CC/C=C1/C[C@H]1CO 238225547 573983496 /nfs/dbraw/zinc/98/34/96/573983496.db2.gz WSUZIHPSEJUYBK-NFNQMPKISA-N 0 0 112.172 1.335 10 0 ADAERN CC1(C)CC[C@@H](O)[C@@](C)(O)C1 238224365 573983530 /nfs/dbraw/zinc/98/35/30/573983530.db2.gz GCBXNJYFIFSHRO-APPZFPTMSA-N 0 0 158.241 1.308 10 0 ADAERN CCCNS(=O)(=O)C1CCCC1 40642715 573983532 /nfs/dbraw/zinc/98/35/32/573983532.db2.gz SNUVCCXWRQHNEF-UHFFFAOYSA-N 0 0 191.296 1.258 10 0 ADAERN CCC(=O)C1C(=O)Nc2ccccc21 238225811 573983535 /nfs/dbraw/zinc/98/35/35/573983535.db2.gz IWXZRFYPVLAJOK-SNVBAGLBSA-N 0 0 189.214 1.701 10 0 ADAERN CCCNc1ncc2nccnc2n1 238225745 573983562 /nfs/dbraw/zinc/98/35/62/573983562.db2.gz DCDUPAKQTWZERN-UHFFFAOYSA-N 0 0 189.222 1.242 10 0 ADAERN O[C@@H]1CCc2ccc(F)cc2C1 82088532 573983616 /nfs/dbraw/zinc/98/36/16/573983616.db2.gz JQVAWADGKQIRSM-SNVBAGLBSA-N 0 0 166.195 1.675 10 0 ADAERN CCOC(=O)[C@](C)(N)CSCC 45553344 573983619 /nfs/dbraw/zinc/98/36/19/573983619.db2.gz HVQPEFUYSRYRPK-MRVPVSSYSA-N 0 0 191.296 1.020 10 0 ADAERN CN1CCCC[C@@H]1c1ncc(CO)o1 258195743 573983630 /nfs/dbraw/zinc/98/36/30/573983630.db2.gz SUQCBWRZBZZMHY-SECBINFHSA-N 0 0 196.250 1.324 10 0 ADAERN Cc1ccc(Cc2cc(N)cnn2)cc1 259257653 573983644 /nfs/dbraw/zinc/98/36/44/573983644.db2.gz AHIGCJPJZBLLBX-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN Cn1cc2ccc(N)c(F)c2n1 259257369 573983654 /nfs/dbraw/zinc/98/36/54/573983654.db2.gz AXUPSESBQWXFRL-UHFFFAOYSA-N 0 0 165.171 1.295 10 0 ADAERN CCc1cc(=O)c2nc(C)ccc2[nH]1 82055293 573983656 /nfs/dbraw/zinc/98/36/56/573983656.db2.gz RYDMYWGTPWEVTP-UHFFFAOYSA-N 0 0 188.230 1.794 10 0 ADAERN C[C@@H]1Nc2nc(Cl)ccc2NC1=O 82077589 573983667 /nfs/dbraw/zinc/98/36/67/573983667.db2.gz CRVCEKLNTIQYBI-BYPYZUCNSA-N 0 0 197.625 1.488 10 0 ADAERN CC1(C)C(=O)N[C@H]2CCCC[C@@H]21 238225293 573983678 /nfs/dbraw/zinc/98/36/78/573983678.db2.gz YGBFLWNTCUVTJK-YUMQZZPRSA-N 0 0 167.252 1.701 10 0 ADAERN Nc1cc(CNO)ccc1Cl 259257691 573983751 /nfs/dbraw/zinc/98/37/51/573983751.db2.gz AHORWKJPVMQAJV-UHFFFAOYSA-N 0 0 172.615 1.401 10 0 ADAERN CCOC(=O)[C@@H]1CSC[C@H]1F 259589578 573983754 /nfs/dbraw/zinc/98/37/54/573983754.db2.gz LCYVMQLPVPHLLY-PHDIDXHHSA-N 0 0 178.228 1.251 10 0 ADAERN c1ncc(-c2nccs2)cn1 82094381 573983758 /nfs/dbraw/zinc/98/37/58/573983758.db2.gz NPPXHDKUFPXODG-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN O=Cc1cc2ncccc2cc1O 82076938 573983770 /nfs/dbraw/zinc/98/37/70/573983770.db2.gz UAVFQBBMQICGJM-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN Cc1ccc([C@@H](CC(=O)[O-])[C@@H](C)[NH3+])o1 85115398 573983835 /nfs/dbraw/zinc/98/38/35/573983835.db2.gz AUTDPNVLVXWMDN-SFYZADRCSA-N 0 0 197.234 1.494 10 0 ADAERN CC(C)C(=O)OC1CC1 82094802 573983840 /nfs/dbraw/zinc/98/38/40/573983840.db2.gz AZRCGDDLBHZMCT-UHFFFAOYSA-N 0 0 128.171 1.348 10 0 ADAERN CC1(C)CNC(=O)C2(CCC2)C1 238224838 573983841 /nfs/dbraw/zinc/98/38/41/573983841.db2.gz JFIIGAZIEXSFDZ-UHFFFAOYSA-N 0 0 167.252 1.703 10 0 ADAERN Cc1ccc([C@@]2(C)CC(=O)N[C@H]2C)o1 85134882 573986532 /nfs/dbraw/zinc/98/65/32/573986532.db2.gz REUQRXISTLOFPZ-KWQFWETISA-N 0 0 193.246 1.754 10 0 ADAERN 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PAIJKPYZYFWTES-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN C[C@H]1NC(=O)C[C@]12CCOC(C)(C)C2 85134825 573986627 /nfs/dbraw/zinc/98/66/27/573986627.db2.gz XZOAOPBWLOCNTJ-KCJUWKMLSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ccc(-c2nccc(N)n2)cn1 104458327 573986633 /nfs/dbraw/zinc/98/66/33/573986633.db2.gz JJLHAQYBHHNNGG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCC[NH2+][C@@](C)(CSC)C(=O)[O-] 45595008 573986637 /nfs/dbraw/zinc/98/66/37/573986637.db2.gz TYSRQWHSZIHYAZ-QMMMGPOBSA-N 0 0 191.296 1.192 10 0 ADAERN C[C@H]1NC(=O)C[C@]12CCCOCC2 85135256 573986645 /nfs/dbraw/zinc/98/66/45/573986645.db2.gz QCWZEJWUZFTLRR-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@@H](C)[C@@H]1CNC(=O)C1 85134155 573986650 /nfs/dbraw/zinc/98/66/50/573986650.db2.gz RYZOJNSYZSUZTD-RQJHMYQMSA-N 0 0 141.214 1.169 10 0 ADAERN CC(C)CC[C@]1(C)CNC(=O)C1 85134052 573986674 /nfs/dbraw/zinc/98/66/74/573986674.db2.gz ANYBSSCEWNJHFD-JTQLQIEISA-N 0 0 169.268 1.949 10 0 ADAERN COC(C)(C)C[C@@]1(C)CC(=O)N[C@@H]1C 85134626 573986687 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104460051 573987459 /nfs/dbraw/zinc/98/74/59/573987459.db2.gz JPEVHCWKSDQJKD-SECBINFHSA-N 0 0 194.278 1.276 10 0 ADAERN CC1(C)CCC(=O)[C@@H](O)CC1 238226637 573987466 /nfs/dbraw/zinc/98/74/66/573987466.db2.gz HKSRPPZLHKLYIK-ZETCQYMHSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1c1ccc(F)cc1 85134497 573987472 /nfs/dbraw/zinc/98/74/72/573987472.db2.gz WJUAXLNPTVZXSF-OIBJUYFYSA-N 0 0 193.221 1.818 10 0 ADAERN CC[C@@H]1C[C@]2(CCO1)CNC(=O)C2 85134190 573987486 /nfs/dbraw/zinc/98/74/86/573987486.db2.gz GKSXOBQQBNAWHF-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H](C)[C@@]1(C)CC(=O)N[C@@H]1C 85134943 573987491 /nfs/dbraw/zinc/98/74/91/573987491.db2.gz QIHSPYJTXBWZHE-QXFUBDJGSA-N 0 0 169.268 1.947 10 0 ADAERN COC(C)(C)C[C@@]1(C)CNC(=O)C1 85133669 573987496 /nfs/dbraw/zinc/98/74/96/573987496.db2.gz BWEQGIKITSJXSE-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN Cc1ccsc1[C@@]1(C)CNC(=O)C1 85133757 573987501 /nfs/dbraw/zinc/98/75/01/573987501.db2.gz BEUYNMPXHHVHNV-SNVBAGLBSA-N 0 0 195.287 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/nfs/dbraw/zinc/98/76/39/573987639.db2.gz RRFORHIDRUWQAT-GXSJLCMTSA-N 0 0 189.258 1.754 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@H]2CNC(=O)C2)C1 85134428 573987645 /nfs/dbraw/zinc/98/76/45/573987645.db2.gz IGLVELHTOHRPTO-OPRDCNLKSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]([NH3+])C1CCCC1 259260397 573987648 /nfs/dbraw/zinc/98/76/48/573987648.db2.gz INTSCYWHGRIFTI-OIBJUYFYSA-N 0 0 185.267 1.615 10 0 ADAERN C1=CC[C@H](Cn2cncn2)CC1 402402031 573987665 /nfs/dbraw/zinc/98/76/65/573987665.db2.gz PXAQDDZRIPYDIX-VIFPVBQESA-N 0 0 163.224 1.634 10 0 ADAERN Cc1cc([C@@]2(C)CNC(=O)C2)c(C)o1 85134210 573987668 /nfs/dbraw/zinc/98/76/68/573987668.db2.gz IEDGWRBHNDNEMA-LLVKDONJSA-N 0 0 193.246 1.674 10 0 ADAERN CC[C@@H](OCCO)C(C)C 82110828 573989516 /nfs/dbraw/zinc/98/95/16/573989516.db2.gz AKSFKEVZVFQYRO-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN C[C@@H](CO)c1c(O)cc(F)cc1F 258196598 573989528 /nfs/dbraw/zinc/98/95/28/573989528.db2.gz XZWGIGPXUSISLW-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN 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/nfs/dbraw/zinc/99/28/39/573992839.db2.gz QKXBCIDDSWNZJL-UHFFFAOYSA-N 0 0 191.209 1.930 10 0 ADAERN CC[C@H]1NC(=O)C[C@]12CCCSC2 85137181 573992865 /nfs/dbraw/zinc/99/28/65/573992865.db2.gz ARFWUJXQYFZOPI-SCZZXKLOSA-N 0 0 199.319 1.798 10 0 ADAERN COC(=O)[C@@H](C)c1ncoc1C 259590858 573992871 /nfs/dbraw/zinc/99/28/71/573992871.db2.gz BXSOXTVJJNIKRQ-YFKPBYRVSA-N 0 0 169.180 1.260 10 0 ADAERN Clc1cnc2nnc(Cl)n2c1 104468068 573992884 /nfs/dbraw/zinc/99/28/84/573992884.db2.gz VSQXDUOVVWWDKM-UHFFFAOYSA-N 0 0 189.005 1.431 10 0 ADAERN COC(=O)c1cn2occ(C)c2n1 259590897 573992896 /nfs/dbraw/zinc/99/28/96/573992896.db2.gz BYICPHXLCJZZIR-UHFFFAOYSA-N 0 0 180.163 1.022 10 0 ADAERN CC1=CCC[C@](C)(CO)[C@@H]1O 238233179 573992903 /nfs/dbraw/zinc/99/29/03/573992903.db2.gz KEWFXMSAWWXRBN-RKDXNWHRSA-N 0 0 156.225 1.086 10 0 ADAERN CCC(=O)[C@H]1CCC[C@H]1O 238233861 573992908 /nfs/dbraw/zinc/99/29/08/573992908.db2.gz OBUHEZUCTPBYAV-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@H]1Sc2cccc(O)c2NC1=O 259262609 573992912 /nfs/dbraw/zinc/99/29/12/573992912.db2.gz OMROIVRMSBNZKJ-RXMQYKEDSA-N 0 0 195.243 1.825 10 0 ADAERN C[C@H]([NH2+]C1(C)CCCCC1)C(=O)[O-] 82244851 573992926 /nfs/dbraw/zinc/99/29/26/573992926.db2.gz CSHAWTRQEBXNBU-QMMMGPOBSA-N 0 0 185.267 1.772 10 0 ADAERN Cc1cc(N)n(C(=O)C(C)C)n1 82255483 573992941 /nfs/dbraw/zinc/99/29/41/573992941.db2.gz KINVSJHKTVWUJJ-UHFFFAOYSA-N 0 0 167.212 1.070 10 0 ADAERN CCC[C@](C)(O)c1nccn1C 87649277 573992957 /nfs/dbraw/zinc/99/29/57/573992957.db2.gz RIAWNUNPQGCHKY-VIFPVBQESA-N 0 0 168.240 1.428 10 0 ADAERN CC(C)c1ccc(C(=O)C(N)=O)cc1 238233974 573992964 /nfs/dbraw/zinc/99/29/64/573992964.db2.gz VVCTZTRJGRWVEC-UHFFFAOYSA-N 0 0 191.230 1.478 10 0 ADAERN O=Cc1c(F)ccc2oncc12 259260945 573992966 /nfs/dbraw/zinc/99/29/66/573992966.db2.gz BEOOHRNQCJFOED-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN O=C1CN2C=C(C3CCC3)C=NC2=N1 104465789 573992984 /nfs/dbraw/zinc/99/29/84/573992984.db2.gz FXTVRJGWRDRSGO-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN Cc1ccc(F)o1 82229677 573992986 /nfs/dbraw/zinc/99/29/86/573992986.db2.gz WUQGISYDPUNAEN-UHFFFAOYSA-N 0 0 100.092 1.727 10 0 ADAERN COC(=O)c1cccc2conc12 259590902 573992995 /nfs/dbraw/zinc/99/29/95/573992995.db2.gz BYMKNJNPASLCPH-UHFFFAOYSA-N 0 0 177.159 1.614 10 0 ADAERN O=c1ccc(-c2ncc[nH]2)c[nH]1 104467142 573993007 /nfs/dbraw/zinc/99/30/07/573993007.db2.gz SQQCCGXHBOVCDT-UHFFFAOYSA-N 0 0 161.164 1.177 10 0 ADAERN CC1=CCC[C@H]2CC(=O)[C@@H](C1)O2 238233031 573993008 /nfs/dbraw/zinc/99/30/08/573993008.db2.gz VPLLVSBFLFUKEZ-WCBMZHEXSA-N 0 0 166.220 1.843 10 0 ADAERN CCONC(=O)c1csc(C)n1 82238991 573993033 /nfs/dbraw/zinc/99/30/33/573993033.db2.gz JPHYKWZKHCHZBJ-UHFFFAOYSA-N 0 0 186.236 1.133 10 0 ADAERN CCc1nc(N)oc1C1CCOCC1 259261456 573993034 /nfs/dbraw/zinc/99/30/34/573993034.db2.gz ULOJAFZLAZTPAH-UHFFFAOYSA-N 0 0 196.250 1.713 10 0 ADAERN CCC1(OC(N)=O)CCC(O)CC1 238233432 573993045 /nfs/dbraw/zinc/99/30/45/573993045.db2.gz BTVVAIVSAWZZGR-UHFFFAOYSA-N 0 0 187.239 1.165 10 0 ADAERN 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ADAERN C[C@@H]([NH2+]C1(C)CCCCC1)C(=O)[O-] 82244852 573993945 /nfs/dbraw/zinc/99/39/45/573993945.db2.gz CSHAWTRQEBXNBU-MRVPVSSYSA-N 0 0 185.267 1.772 10 0 ADAERN Cc1[nH]nc2cc(C=O)cc(F)c12 259263771 573993954 /nfs/dbraw/zinc/99/39/54/573993954.db2.gz BHXVEJYBDZUYME-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN CCc1nccn1C(=O)OC 82254733 573993965 /nfs/dbraw/zinc/99/39/65/573993965.db2.gz GDZUGOOHAAAFET-UHFFFAOYSA-N 0 0 154.169 1.060 10 0 ADAERN C[C@@H](CCO)Sc1nncs1 85143749 573993966 /nfs/dbraw/zinc/99/39/66/573993966.db2.gz VGCHQLYFQTYBEN-YFKPBYRVSA-N 0 0 190.293 1.401 10 0 ADAERN C/C=C/C(=O)n1ccnc1 82255039 573994032 /nfs/dbraw/zinc/99/40/32/573994032.db2.gz NVRSCZFKESKFEM-NSCUHMNNSA-N 0 0 136.154 1.099 10 0 ADAERN O=C(c1cccc(O)c1)n1ccnc1 82260025 573997514 /nfs/dbraw/zinc/99/75/14/573997514.db2.gz KVMJPCBVORPNBH-UHFFFAOYSA-N 0 0 188.186 1.277 10 0 ADAERN CSc1ccc(C2(O)COC2)cc1 259302098 573997532 /nfs/dbraw/zinc/99/75/32/573997532.db2.gz QVCOVDJMYYJUGY-UHFFFAOYSA-N 0 0 196.271 1.626 10 0 ADAERN FC(F)(F)c1ccc2nncn2c1 104468108 573997533 /nfs/dbraw/zinc/99/75/33/573997533.db2.gz LKXBBTFRLVNWLN-UHFFFAOYSA-N 0 0 187.124 1.748 10 0 ADAERN CONCc1cn(C)nc1C(C)(C)C 127941561 573997557 /nfs/dbraw/zinc/99/75/57/573997557.db2.gz VREQHZWTLKKNJR-UHFFFAOYSA-N 0 0 197.282 1.369 10 0 ADAERN C/C=C/CSC[C@@H](C)CO 85139443 573997562 /nfs/dbraw/zinc/99/75/62/573997562.db2.gz ARCQVTWKPWBXNS-RTMURIBGSA-N 0 0 160.282 1.924 10 0 ADAERN C/C=C/C(=O)N[C@H](C)c1nccs1 82275398 573997577 /nfs/dbraw/zinc/99/75/77/573997577.db2.gz SSLFFHJJCOJYMZ-KGGZQZJCSA-N 0 0 196.275 1.896 10 0 ADAERN Cc1ncc([C@H](C)CO)s1 259262795 573997586 /nfs/dbraw/zinc/99/75/86/573997586.db2.gz OPCFCLXCLZLMIQ-RXMQYKEDSA-N 0 0 157.238 1.547 10 0 ADAERN CC(C)C(=O)N[C@H](C)c1nccs1 82275763 573997588 /nfs/dbraw/zinc/99/75/88/573997588.db2.gz QSRBNGLUOOSESQ-SSDOTTSWSA-N 0 0 198.291 1.976 10 0 ADAERN C/C=C/C=C/C(=O)Nc1ccncn1 82257688 573997603 /nfs/dbraw/zinc/99/76/03/573997603.db2.gz PNACDFQLTJQFGE-MQQKCMAXSA-N 0 0 189.218 1.547 10 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COCc1cc(F)ccc1CNOC 258198253 574002985 /nfs/dbraw/zinc/00/29/85/574002985.db2.gz SEPDCBPOKQAFJE-UHFFFAOYSA-N 0 0 199.225 1.623 10 0 ADAERN CC1(C)[C@H](O)[C@@H]2CC[C@@]1(C)C2=O 238237239 574002992 /nfs/dbraw/zinc/00/29/92/574002992.db2.gz BQJLERNUJIGNPL-PJKMHFRUSA-N 0 0 168.236 1.373 10 0 ADAERN CCC1OCCC1=S 238238921 574002999 /nfs/dbraw/zinc/00/29/99/574002999.db2.gz DIGXJRCYDQKHSQ-UHFFFAOYSA-N 0 0 130.212 1.958 10 0 ADAERN CCCNC(=O)NC(=O)C1CCC1 238238243 574003026 /nfs/dbraw/zinc/00/30/26/574003026.db2.gz FMFFEDMNIOZCOS-UHFFFAOYSA-N 0 0 184.239 1.022 10 0 ADAERN CCN1CC(Oc2nccs2)C1 585379370 574003027 /nfs/dbraw/zinc/00/30/27/574003027.db2.gz KCKZQNRDIPJZMM-UHFFFAOYSA-N 0 0 184.264 1.226 10 0 ADAERN Cn1cncc1[C@H](O)c1ccoc1 85171732 574003034 /nfs/dbraw/zinc/00/30/34/574003034.db2.gz ZMMDUWMHLYHMGZ-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN Nc1cccnc1[C@H](N)C(F)(F)F 104488513 574003752 /nfs/dbraw/zinc/00/37/52/574003752.db2.gz ZRQZOPXAWYCZTK-LURJTMIESA-N 0 0 191.156 1.226 10 0 ADAERN CO[C@H](C)C[C@H](O)Cc1ccncc1 128094504 574003755 /nfs/dbraw/zinc/00/37/55/574003755.db2.gz HJASDBHFSAWBPB-KOLCDFICSA-N 0 0 195.262 1.410 10 0 ADAERN CC1=CC[C@@H](/C=C/C(N)=O)CC1 238238514 574003779 /nfs/dbraw/zinc/00/37/79/574003779.db2.gz NBWADQOCUUQUTJ-XCODYQFDSA-N 0 0 165.236 1.774 10 0 ADAERN COc1ccc2c(cnn2C)c1N 259271095 574003794 /nfs/dbraw/zinc/00/37/94/574003794.db2.gz BUQYOUMYTPWXOZ-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN CC1(NC2=NCCO2)CCCCC1 238239057 574003798 /nfs/dbraw/zinc/00/37/98/574003798.db2.gz NUVAQPFXQGOCFD-UHFFFAOYSA-N 0 0 182.267 1.685 10 0 ADAERN CCCSc1cc(C)nc(=O)[nH]1 238238608 574003805 /nfs/dbraw/zinc/00/38/05/574003805.db2.gz XCSLKTCRFNXPTC-UHFFFAOYSA-N 0 0 184.264 1.580 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2COC[C@H]2C1 259591445 574003816 /nfs/dbraw/zinc/00/38/16/574003816.db2.gz LJWTWEHWDXXLAT-HRDYMLBCSA-N 0 0 184.235 1.222 10 0 ADAERN CO[C@@H](C)C[C@@H](O)Cc1ccncc1 128094771 574003824 /nfs/dbraw/zinc/00/38/24/574003824.db2.gz HJASDBHFSAWBPB-GXSJLCMTSA-N 0 0 195.262 1.410 10 0 ADAERN Nc1cncc([C@H](N)C(F)(F)F)c1 104488521 574003827 /nfs/dbraw/zinc/00/38/27/574003827.db2.gz PNCBRWHZHSQTLN-LURJTMIESA-N 0 0 191.156 1.226 10 0 ADAERN CCC[C@H](O)c1cncn1C 85171193 574003839 /nfs/dbraw/zinc/00/38/39/574003839.db2.gz GOUKZXWWGSPOBU-QMMMGPOBSA-N 0 0 154.213 1.254 10 0 ADAERN CC1=CC[C@@H](O)C(C)(C)C[C@@H]1O 238237863 574003853 /nfs/dbraw/zinc/00/38/53/574003853.db2.gz DZWJKKBQECHZJN-DTWKUNHWSA-N 0 0 170.252 1.475 10 0 ADAERN Cn1cncc1[C@@H](O)c1ccco1 85171809 574003864 /nfs/dbraw/zinc/00/38/64/574003864.db2.gz JRVKQVIYWKFESF-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN Nc1ccc2c(c1)CC[C@]2(O)C1CC1 87654521 574003876 /nfs/dbraw/zinc/00/38/76/574003876.db2.gz OSFUALDPOQLJNT-LBPRGKRZSA-N 0 0 189.258 1.813 10 0 ADAERN CC1(C)C[C@@H](O)C=CO1 238238893 574003878 /nfs/dbraw/zinc/00/38/78/574003878.db2.gz YOUWIUBFEKADKO-LURJTMIESA-N 0 0 128.171 1.060 10 0 ADAERN CCCc1cc(N)c2[nH]cnc2n1 238238215 574003939 /nfs/dbraw/zinc/00/39/39/574003939.db2.gz JNEXIBGMSLNPEE-UHFFFAOYSA-N 0 0 176.223 1.493 10 0 ADAERN CC(=O)[C@H](N)c1ccc2cc[nH]c2c1 104486852 574003968 /nfs/dbraw/zinc/00/39/68/574003968.db2.gz FTSHXIAIXHQGME-NSHDSACASA-N 0 0 188.230 1.757 10 0 ADAERN C=Cc1nc(OCC)ccc1N 209778213 574003982 /nfs/dbraw/zinc/00/39/82/574003982.db2.gz HLRYTUQQLGSTGI-UHFFFAOYSA-N 0 0 164.208 1.706 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](c2ccsc2)[NH2+]1 104487447 574003987 /nfs/dbraw/zinc/00/39/87/574003987.db2.gz GMMKSCIYTRTTRR-YUMQZZPRSA-N 0 0 197.259 1.626 10 0 ADAERN CC[C@H]([NH3+])c1ccc(C(=O)[O-])s1 104486504 574003994 /nfs/dbraw/zinc/00/39/94/574003994.db2.gz NTSCVLQMZMOFPW-YFKPBYRVSA-N 0 0 185.248 1.856 10 0 ADAERN NC(=O)N1CC[C@@H]2CCCC[C@H]21 111250505 574004001 /nfs/dbraw/zinc/00/40/01/574004001.db2.gz BRYSSGATOBHNMH-JGVFFNPUSA-N 0 0 168.240 1.330 10 0 ADAERN COc1nsc([C@@H](C)O)c1Cl 642836958 574004009 /nfs/dbraw/zinc/00/40/09/574004009.db2.gz DWAICVRGXJZGRW-GSVOUGTGSA-N 0 0 193.655 1.858 10 0 ADAERN C[C@H]1CCCN(C(=O)c2cnoc2)C1 82318981 574004016 /nfs/dbraw/zinc/00/40/16/574004016.db2.gz PWRZKCGVAADXKH-QMMMGPOBSA-N 0 0 194.234 1.547 10 0 ADAERN CC1(C)[C@H](O)[C@]1(O)c1ccccc1 238237468 574004026 /nfs/dbraw/zinc/00/40/26/574004026.db2.gz HEVFWEWJXMVCTC-GXSJLCMTSA-N 0 0 178.231 1.275 10 0 ADAERN COc1cc([C@@H](C)[NH3+])ccc1C(=O)[O-] 104484573 574004027 /nfs/dbraw/zinc/00/40/27/574004027.db2.gz ZXDNHQZMEHQHCS-ZCFIWIBFSA-N 0 0 195.218 1.413 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1cc(O)cc(F)c1 104487694 574004032 /nfs/dbraw/zinc/00/40/32/574004032.db2.gz OEZVMPVKQQVIMX-QMMMGPOBSA-N 0 0 199.181 1.006 10 0 ADAERN CC1(C)[C@H](O)[C@@]1(O)c1ccccc1 238237296 574004047 /nfs/dbraw/zinc/00/40/47/574004047.db2.gz HEVFWEWJXMVCTC-ONGXEEELSA-N 0 0 178.231 1.275 10 0 ADAERN CC(=O)COc1cccc(C(C)=O)c1 48403286 574004055 /nfs/dbraw/zinc/00/40/55/574004055.db2.gz NXOQEKCTGCTNHG-UHFFFAOYSA-N 0 0 192.214 1.857 10 0 ADAERN CC1(C)CC(=O)N2CC[C@@H](CO)[C@H]2C1 238237703 574004081 /nfs/dbraw/zinc/00/40/81/574004081.db2.gz JVWBPJVALRPWRV-DTWKUNHWSA-N 0 0 197.278 1.016 10 0 ADAERN Nc1cc([C@H](N)C(F)(F)F)ccn1 104488504 574004106 /nfs/dbraw/zinc/00/41/06/574004106.db2.gz NTQFIPWWPQOSIH-LURJTMIESA-N 0 0 191.156 1.226 10 0 ADAERN CCCS[C@@H](CO)C(C)=O 238237439 574004117 /nfs/dbraw/zinc/00/41/17/574004117.db2.gz WSMFPKUKBGFUSQ-ZETCQYMHSA-N 0 0 162.254 1.080 10 0 ADAERN CONCc1cccc2oc(=O)[nH]c12 258198916 574004120 /nfs/dbraw/zinc/00/41/20/574004120.db2.gz YGORRLZBTPSOLJ-UHFFFAOYSA-N 0 0 194.190 1.184 10 0 ADAERN C1=C[C@H]2CC[C@@H](C1)N2c1cnsn1 585378923 574004143 /nfs/dbraw/zinc/00/41/43/574004143.db2.gz BLPYREQEBVNEIB-JGVFFNPUSA-N 0 0 193.275 1.835 10 0 ADAERN NOCc1coc2cc(F)ccc12 258200821 574004144 /nfs/dbraw/zinc/00/41/44/574004144.db2.gz ODUIEZKUCWCQLS-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN CCC(=O)c1c(O)cc(O)c(C)c1O 238238890 574004150 /nfs/dbraw/zinc/00/41/50/574004150.db2.gz OIABYBLXUPXVPR-UHFFFAOYSA-N 0 0 196.202 1.705 10 0 ADAERN C[C@@]([NH3+])(C(=O)[O-])c1ccc(Cl)o1 104485378 574004189 /nfs/dbraw/zinc/00/41/89/574004189.db2.gz QWNTTYQUBWBRRJ-ZETCQYMHSA-N 0 0 189.598 1.192 10 0 ADAERN CC1(C)CC(=O)[C@H]2CC(=O)[C@@H]2C1 238237686 574004193 /nfs/dbraw/zinc/00/41/93/574004193.db2.gz SZURZJRCYZEUFX-NKWVEPMBSA-N 0 0 166.220 1.581 10 0 ADAERN CC(=O)[C@@H](N)c1cc2ccccc2[nH]1 104488262 574004200 /nfs/dbraw/zinc/00/42/00/574004200.db2.gz RDJFCDLVIBJHLJ-LLVKDONJSA-N 0 0 188.230 1.757 10 0 ADAERN CCNc1cncc(-n2ccnc2)n1 82304075 574004206 /nfs/dbraw/zinc/00/42/06/574004206.db2.gz SKZOXXYATCIMDZ-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CCc1ccc(O)cc1[C@H]([NH3+])C(=O)[O-] 104485186 574004209 /nfs/dbraw/zinc/00/42/09/574004209.db2.gz ACHKEBBWEYBOQS-VIFPVBQESA-N 0 0 195.218 1.039 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1cc(O)ccc1F 104486044 574004218 /nfs/dbraw/zinc/00/42/18/574004218.db2.gz SYNJIUYBCFNYAV-MRVPVSSYSA-N 0 0 199.181 1.006 10 0 ADAERN COc1cc(O)ccc1C[C@@H](C)O 258198825 574004237 /nfs/dbraw/zinc/00/42/37/574004237.db2.gz YEGHCSWKDLMIMN-SSDOTTSWSA-N 0 0 182.219 1.324 10 0 ADAERN C[C@]1(O)CCc2cc(N)ccc21 87654513 574004250 /nfs/dbraw/zinc/00/42/50/574004250.db2.gz KNXRUPOEXFMDHC-JTQLQIEISA-N 0 0 163.220 1.423 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1cccs1 104489249 574004251 /nfs/dbraw/zinc/00/42/51/574004251.db2.gz DTNBVGMAIKQCCV-ZETCQYMHSA-N 0 0 199.275 1.859 10 0 ADAERN CC1(C)[C@H](O)[C@]2(C)C[C@H]12 238237515 574004255 /nfs/dbraw/zinc/00/42/55/574004255.db2.gz SVGOVFGIUGJROG-GKROBHDKSA-N 0 0 126.199 1.413 10 0 ADAERN CCCC[C@@H](C(=O)[O-])[C@H](C)[NH3+] 147826889 574004259 /nfs/dbraw/zinc/00/42/59/574004259.db2.gz XJDLYSRZKWNOFL-NKWVEPMBSA-N 0 0 159.229 1.225 10 0 ADAERN CC1=CC[C@@H](CNC(N)=O)C1(C)C 238237558 574004269 /nfs/dbraw/zinc/00/42/69/574004269.db2.gz VBBZZCUPDMLIEY-QMMMGPOBSA-N 0 0 182.267 1.647 10 0 ADAERN Cc1ccc(N2CC(F)(F)C2)nn1 585380226 574004276 /nfs/dbraw/zinc/00/42/76/574004276.db2.gz KBQNIACVKUDEAV-UHFFFAOYSA-N 0 0 185.177 1.240 10 0 ADAERN Cn1c(N)ccc1-c1ccccc1O 258200930 574004305 /nfs/dbraw/zinc/00/43/05/574004305.db2.gz VIRIOMSINUVLPU-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN CC(=O)[C@@H](N)c1cc(F)cc(F)c1C 104487713 574004328 /nfs/dbraw/zinc/00/43/28/574004328.db2.gz TZPWVHVGVVQXEL-SNVBAGLBSA-N 0 0 199.200 1.862 10 0 ADAERN COc1c(O)ccc(C)c1[C@H](C)CO 258198847 574004332 /nfs/dbraw/zinc/00/43/32/574004332.db2.gz YETAQNDLTAUABK-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN CC(C)(C)c1nnc2n1CCC[C@H]2O 258524066 574004333 /nfs/dbraw/zinc/00/43/33/574004333.db2.gz RZAADWNQQXOVFW-SSDOTTSWSA-N 0 0 195.266 1.403 10 0 ADAERN O=C(c1cnoc1)N1CCCCCC1 82319900 574004337 /nfs/dbraw/zinc/00/43/37/574004337.db2.gz MPOVMISSEXWSLJ-UHFFFAOYSA-N 0 0 194.234 1.691 10 0 ADAERN CCCn1cncc1[C@@H](C)O 85187168 574004340 /nfs/dbraw/zinc/00/43/40/574004340.db2.gz LBRGTCXLAIFGJR-SSDOTTSWSA-N 0 0 154.213 1.346 10 0 ADAERN O=C([O-])Cc1cc([C@@H]2CC[NH2+]2)cs1 104485747 574004347 /nfs/dbraw/zinc/00/43/47/574004347.db2.gz LVHVCFNYGWGZRH-QMMMGPOBSA-N 0 0 197.259 1.410 10 0 ADAERN CCCCN(C)C(=O)c1coc(N)n1 82317960 574004351 /nfs/dbraw/zinc/00/43/51/574004351.db2.gz GIEOOTXUEOBZEX-UHFFFAOYSA-N 0 0 197.238 1.129 10 0 ADAERN CCCc1cc(NC2CC2)n[nH]1 259270655 574004371 /nfs/dbraw/zinc/00/43/71/574004371.db2.gz QWVYIDDIUOTUQN-UHFFFAOYSA-N 0 0 165.240 1.937 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1cc(O)cc(F)c1 104487690 574004377 /nfs/dbraw/zinc/00/43/77/574004377.db2.gz OEZVMPVKQQVIMX-MRVPVSSYSA-N 0 0 199.181 1.006 10 0 ADAERN CC(=O)Cc1cc(O)c(F)cc1F 258201089 574004394 /nfs/dbraw/zinc/00/43/94/574004394.db2.gz YJWNYYCVDQOCTQ-UHFFFAOYSA-N 0 0 186.157 1.802 10 0 ADAERN CSc1ccc2c(c1)NC(=O)[C@H]2O 111225305 574004403 /nfs/dbraw/zinc/00/44/03/574004403.db2.gz MOQXYXCMXUQLNP-QMMMGPOBSA-N 0 0 195.243 1.394 10 0 ADAERN Cc1scnc1C(=O)N1CCCC1 82300521 574004406 /nfs/dbraw/zinc/00/44/06/574004406.db2.gz NUXLKJYPAZQMEN-UHFFFAOYSA-N 0 0 196.275 1.688 10 0 ADAERN CCn1cncc1[C@@H](O)C1CC1 85185151 574004416 /nfs/dbraw/zinc/00/44/16/574004416.db2.gz XNNFHUXCKVTKHE-VIFPVBQESA-N 0 0 166.224 1.346 10 0 ADAERN CC(=O)[C@@H](N)c1ccc2cc[nH]c2c1 104486858 574004417 /nfs/dbraw/zinc/00/44/17/574004417.db2.gz FTSHXIAIXHQGME-LLVKDONJSA-N 0 0 188.230 1.757 10 0 ADAERN C1=C[C@H]2CC[C@@H](C1)N2Cc1cocn1 585379582 574004430 /nfs/dbraw/zinc/00/44/30/574004430.db2.gz MZJDEUOBXBSWDG-WDEREUQCSA-N 0 0 190.246 1.968 10 0 ADAERN Cc1ccc([C@@H]([NH3+])C(C)(C)C(=O)[O-])o1 104488743 574004438 /nfs/dbraw/zinc/00/44/38/574004438.db2.gz QCGCNPYRDATMFQ-MRVPVSSYSA-N 0 0 197.234 1.699 10 0 ADAERN Cc1cc2c(o1)C[C@H](C)[NH2+][C@H]2C(=O)[O-] 74245047 574004440 /nfs/dbraw/zinc/00/44/40/574004440.db2.gz TYRJJUOEJXOBQM-SSDLBLMSSA-N 0 0 195.218 1.248 10 0 ADAERN CC(=O)[C@H](N)c1c(F)ccc(C)c1F 104487706 574004722 /nfs/dbraw/zinc/00/47/22/574004722.db2.gz HNSZDYZUZKUGLG-JTQLQIEISA-N 0 0 199.200 1.862 10 0 ADAERN C=Cc1ccc(C(=O)NCC)nc1 209775008 574004738 /nfs/dbraw/zinc/00/47/38/574004738.db2.gz CQZPQITZKHBACI-UHFFFAOYSA-N 0 0 176.219 1.474 10 0 ADAERN COc1cc(CCON)cc(C)c1C 258201036 574004760 /nfs/dbraw/zinc/00/47/60/574004760.db2.gz YICDIRQBMWXGTJ-UHFFFAOYSA-N 0 0 195.262 1.745 10 0 ADAERN Cc1csc(N2CC(F)(F)C2)n1 585379675 574004766 /nfs/dbraw/zinc/00/47/66/574004766.db2.gz AULBQUYAAMWBPL-UHFFFAOYSA-N 0 0 190.218 1.907 10 0 ADAERN Cc1cc(C)nc(N2CC(F)(F)C2)n1 585380018 574004772 /nfs/dbraw/zinc/00/47/72/574004772.db2.gz HPKSZFRJDXLWOR-UHFFFAOYSA-N 0 0 199.204 1.549 10 0 ADAERN CC(=O)[C@@H](N)c1cnc2[nH]ccc2c1 104485345 574004797 /nfs/dbraw/zinc/00/47/97/574004797.db2.gz DOZQEWYCOMVYJC-SECBINFHSA-N 0 0 189.218 1.152 10 0 ADAERN COCCOc1ccc(CON)cc1 258201000 574004812 /nfs/dbraw/zinc/00/48/12/574004812.db2.gz YHCLPZLLNRCHIT-UHFFFAOYSA-N 0 0 197.234 1.102 10 0 ADAERN O=c1oc2c(CNO)cccc2s1 258198906 574004816 /nfs/dbraw/zinc/00/48/16/574004816.db2.gz YGFFJBGXVRFRAX-UHFFFAOYSA-N 0 0 197.215 1.333 10 0 ADAERN Oc1ccc(F)c([C@@H]2COCCN2)c1 104485617 574004819 /nfs/dbraw/zinc/00/48/19/574004819.db2.gz MZKOZDCVFDMWCF-JTQLQIEISA-N 0 0 197.209 1.192 10 0 ADAERN CCn1cncc1[C@@H](O)c1ccoc1 85185210 574004839 /nfs/dbraw/zinc/00/48/39/574004839.db2.gz YEHROCPSGDAZNT-JTQLQIEISA-N 0 0 192.218 1.578 10 0 ADAERN Cc1c(C(F)F)ccnc1C(N)=O 223722241 574004852 /nfs/dbraw/zinc/00/48/52/574004852.db2.gz QQLXXSVTQCPLPO-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN CCCCC1=CCOC(=O)[C@@H]1O 238240389 574004859 /nfs/dbraw/zinc/00/48/59/574004859.db2.gz VMYVSZGRIWHCPZ-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN NC(=O)N1CC[C@H]2CCCC[C@@H]21 111250513 574004862 /nfs/dbraw/zinc/00/48/62/574004862.db2.gz BRYSSGATOBHNMH-SFYZADRCSA-N 0 0 168.240 1.330 10 0 ADAERN Cc1cnoc1C(=O)NC(C)(C)C 82317018 574004866 /nfs/dbraw/zinc/00/48/66/574004866.db2.gz VQOKCFNJCVSGTF-UHFFFAOYSA-N 0 0 182.223 1.511 10 0 ADAERN CCCc1cc2cc(C)nn2c(N)n1 238239768 574004874 /nfs/dbraw/zinc/00/48/74/574004874.db2.gz FZJIHLIMSJUTSP-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN FC1(F)CN(C2CCOCC2)C1 585379863 574004895 /nfs/dbraw/zinc/00/48/95/574004895.db2.gz DXAUGGYAFCVLOU-UHFFFAOYSA-N 0 0 177.194 1.116 10 0 ADAERN CC[C@@H](CC(=O)[O-])[NH+]1CC(C)(C)C1 128031511 574004902 /nfs/dbraw/zinc/00/49/02/574004902.db2.gz SFRBSPULIXEACE-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1scnc1C(=O)NC(C)(C)C 82316876 574004905 /nfs/dbraw/zinc/00/49/05/574004905.db2.gz RNQQMVKDGKDCQQ-UHFFFAOYSA-N 0 0 198.291 1.980 10 0 ADAERN Nc1ccc2c(c1)CC[C@@]2(O)C1CC1 87654522 574004908 /nfs/dbraw/zinc/00/49/08/574004908.db2.gz OSFUALDPOQLJNT-GFCCVEGCSA-N 0 0 189.258 1.813 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(C)c(F)c1F 104489081 574004913 /nfs/dbraw/zinc/00/49/13/574004913.db2.gz CEKGEHGBSGQPNA-SNVBAGLBSA-N 0 0 199.200 1.862 10 0 ADAERN CCCCC1=C(C)[C@@H](O)C12OCCO2 238239156 574004926 /nfs/dbraw/zinc/00/49/26/574004926.db2.gz DDPWMQLYCXORJT-SNVBAGLBSA-N 0 0 198.262 1.611 10 0 ADAERN NOCCc1cccc(Cl)c1F 258201038 574004942 /nfs/dbraw/zinc/00/49/42/574004942.db2.gz YIJQPNZRSVGZOP-UHFFFAOYSA-N 0 0 189.617 1.912 10 0 ADAERN c1ncn(C2CC2)c1[C@@H]1NCCS1 85189985 574004945 /nfs/dbraw/zinc/00/49/45/574004945.db2.gz WEGMSIKLXVCSCU-SECBINFHSA-N 0 0 195.291 1.553 10 0 ADAERN Cc1cnoc1C(=O)N1CCCC1 82300619 574004946 /nfs/dbraw/zinc/00/49/46/574004946.db2.gz LBVCLGTXEFTDEW-UHFFFAOYSA-N 0 0 180.207 1.219 10 0 ADAERN CCn1cncc1[C@@H]1C[C@@H]1C(C)=O 85183311 574004973 /nfs/dbraw/zinc/00/49/73/574004973.db2.gz LHJOBFMERHEEHD-RKDXNWHRSA-N 0 0 178.235 1.596 10 0 ADAERN Cc1cc(F)cc([C@@](C)([NH3+])C(=O)[O-])c1 104488706 574004974 /nfs/dbraw/zinc/00/49/74/574004974.db2.gz PMHMEOWXLWDLQV-SNVBAGLBSA-N 0 0 197.209 1.393 10 0 ADAERN CCNc1cncc(N2CCCC2)n1 82304040 574004992 /nfs/dbraw/zinc/00/49/92/574004992.db2.gz OCCUKQVFSATVJC-UHFFFAOYSA-N 0 0 192.266 1.509 10 0 ADAERN CCCn1cncc1[C@H]1COC(=O)N1 85187603 574005000 /nfs/dbraw/zinc/00/50/00/574005000.db2.gz GYXDFDILPDWPFH-SSDOTTSWSA-N 0 0 195.222 1.074 10 0 ADAERN Nc1n[nH]cc1-c1ccc(O)cc1O 258201074 574005014 /nfs/dbraw/zinc/00/50/14/574005014.db2.gz YJLHBTWJYAAQJB-UHFFFAOYSA-N 0 0 191.190 1.070 10 0 ADAERN CNSc1ccc(OC)cc1OC 259270581 574005015 /nfs/dbraw/zinc/00/50/15/574005015.db2.gz QXVHHTHAJBBGEQ-UHFFFAOYSA-N 0 0 199.275 1.930 10 0 ADAERN Cn1c(N)ccc1-c1ccc(N)cc1 258200658 574005020 /nfs/dbraw/zinc/00/50/20/574005020.db2.gz VELDTSZAUIJYKK-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN CCc1cccc(F)c1[C@H]([NH3+])C(=O)[O-] 104487289 574005023 /nfs/dbraw/zinc/00/50/23/574005023.db2.gz QITCAUAWLWGPOB-VIFPVBQESA-N 0 0 197.209 1.473 10 0 ADAERN CC1(C)C[C@H](O)[C@H](C2OCCO2)C1 238240234 574005030 /nfs/dbraw/zinc/00/50/30/574005030.db2.gz FNDNDLQNISZSKZ-SFYZADRCSA-N 0 0 186.251 1.156 10 0 ADAERN CC(C)n1cncc1[C@@H]1CNC(=O)C1 85189527 574005045 /nfs/dbraw/zinc/00/50/45/574005045.db2.gz XRQFVOIAMFBBBH-QMMMGPOBSA-N 0 0 193.250 1.068 10 0 ADAERN CCC[C@@H](O)c1cncn1CC 85185001 574005069 /nfs/dbraw/zinc/00/50/69/574005069.db2.gz KHUQCGVFTYBDHM-SECBINFHSA-N 0 0 168.240 1.737 10 0 ADAERN NC(=O)N1CC[C@H]2CCCC[C@H]21 111250511 574005075 /nfs/dbraw/zinc/00/50/75/574005075.db2.gz BRYSSGATOBHNMH-HTQZYQBOSA-N 0 0 168.240 1.330 10 0 ADAERN C=Cc1cnc(OCC)c(N)c1 209779075 574005088 /nfs/dbraw/zinc/00/50/88/574005088.db2.gz LCUVIFPVKNEGIE-UHFFFAOYSA-N 0 0 164.208 1.706 10 0 ADAERN CCn1cncc1[C@H]1C[C@H]1C(C)=O 85183317 574005089 /nfs/dbraw/zinc/00/50/89/574005089.db2.gz LHJOBFMERHEEHD-IUCAKERBSA-N 0 0 178.235 1.596 10 0 ADAERN CC1(C)C(=O)C[C@]2(C)CC[C@H]1O2 238240064 574005094 /nfs/dbraw/zinc/00/50/94/574005094.db2.gz XAFCSHNSSBBFTR-SCZZXKLOSA-N 0 0 168.236 1.923 10 0 ADAERN CC(C)n1cncc1[C@H](C)O 85189021 574005108 /nfs/dbraw/zinc/00/51/08/574005108.db2.gz CAVYNGZDCCWOSK-ZETCQYMHSA-N 0 0 154.213 1.517 10 0 ADAERN CC(C)n1cncc1[C@H]1NCCS1 85188135 574005118 /nfs/dbraw/zinc/00/51/18/574005118.db2.gz DAJJXVDPSAZSRX-VIFPVBQESA-N 0 0 197.307 1.799 10 0 ADAERN CCOC(=O)[C@H]1CC[C@H]1C 209776569 574005121 /nfs/dbraw/zinc/00/51/21/574005121.db2.gz RWYKHULTDJBCDD-RQJHMYQMSA-N 0 0 142.198 1.596 10 0 ADAERN CC1(C)C[C@@H](O)OC1(C)C 238239369 574005124 /nfs/dbraw/zinc/00/51/24/574005124.db2.gz NPHCKBNQXOQOEQ-LURJTMIESA-N 0 0 144.214 1.530 10 0 ADAERN Cc1cc(F)cc([C@](C)([NH3+])C(=O)[O-])c1 104488702 574005128 /nfs/dbraw/zinc/00/51/28/574005128.db2.gz PMHMEOWXLWDLQV-JTQLQIEISA-N 0 0 197.209 1.393 10 0 ADAERN CC1(C)C[C@H](O)[C@]2(C)C[C@@H]2C1=O 238240365 574005130 /nfs/dbraw/zinc/00/51/30/574005130.db2.gz IPZGLJUGHRNYOS-MATHAZKKSA-N 0 0 168.236 1.373 10 0 ADAERN Cc1ccsc1[C@@](C)([NH3+])CC(=O)[O-] 104487838 574005164 /nfs/dbraw/zinc/00/51/64/574005164.db2.gz JQMUQULBDUSMRM-VIFPVBQESA-N 0 0 199.275 1.705 10 0 ADAERN CCC[N@H+](CCO)Cc1cc[nH]c1 128034913 574005167 /nfs/dbraw/zinc/00/51/67/574005167.db2.gz YJAWEEFIEJMRFE-UHFFFAOYSA-N 0 0 182.267 1.219 10 0 ADAERN COc1cc(O)ccc1C[C@H](C)O 258198827 574005176 /nfs/dbraw/zinc/00/51/76/574005176.db2.gz YEGHCSWKDLMIMN-ZETCQYMHSA-N 0 0 182.219 1.324 10 0 ADAERN CCCc1ccc([C@H]2CNC(=O)C2)o1 238245510 574005182 /nfs/dbraw/zinc/00/51/82/574005182.db2.gz BDRIMIUVUDWSHE-MRVPVSSYSA-N 0 0 193.246 1.836 10 0 ADAERN CCCSc1cnc(N)nc1 238239767 574005188 /nfs/dbraw/zinc/00/51/88/574005188.db2.gz ADDUTXMPNFDHBN-UHFFFAOYSA-N 0 0 169.253 1.561 10 0 ADAERN CCc1cc(N2CC(F)(F)C2)ncn1 585379762 574005218 /nfs/dbraw/zinc/00/52/18/574005218.db2.gz CBNRLYZRFFTOAD-UHFFFAOYSA-N 0 0 199.204 1.494 10 0 ADAERN CNC(=O)c1c(C)cc(C)cc1OC 259270956 574005225 /nfs/dbraw/zinc/00/52/25/574005225.db2.gz QXRPJURJYWTDFW-UHFFFAOYSA-N 0 0 193.246 1.672 10 0 ADAERN CC[C@@]1(O)CCc2cc(N)ccc21 87654548 574005232 /nfs/dbraw/zinc/00/52/32/574005232.db2.gz XATIVUGUEKGYPG-LLVKDONJSA-N 0 0 177.247 1.813 10 0 ADAERN Nc1cncc([C@@H](N)C(F)(F)F)c1 104488527 574005275 /nfs/dbraw/zinc/00/52/75/574005275.db2.gz PNCBRWHZHSQTLN-ZCFIWIBFSA-N 0 0 191.156 1.226 10 0 ADAERN CCc1cc(Cl)c(N)nn1 259591944 574005277 /nfs/dbraw/zinc/00/52/77/574005277.db2.gz ZBGIIDVCEVONRF-UHFFFAOYSA-N 0 0 157.604 1.275 10 0 ADAERN CC(C)c1ccc(N)c(=O)cc1 238239230 574005285 /nfs/dbraw/zinc/00/52/85/574005285.db2.gz FRJKPNQXTASNEM-UHFFFAOYSA-N 0 0 163.220 1.752 10 0 ADAERN CNC(=S)N[C@H](C)CC1CC1 123367386 574005312 /nfs/dbraw/zinc/00/53/12/574005312.db2.gz APWQGHUMAPZQQV-ZCFIWIBFSA-N 0 0 172.297 1.269 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1cc(O)ccc1F 104487658 574005350 /nfs/dbraw/zinc/00/53/50/574005350.db2.gz SYNJIUYBCFNYAV-QMMMGPOBSA-N 0 0 199.181 1.006 10 0 ADAERN CC(C)c1ccc(N)c(O)c(=O)c1 238239417 574005365 /nfs/dbraw/zinc/00/53/65/574005365.db2.gz IPLWIZYPTMUEDV-UHFFFAOYSA-N 0 0 179.219 1.458 10 0 ADAERN Cc1cccc(F)c1[C@H]([NH3+])CC(=O)[O-] 104485643 574005367 /nfs/dbraw/zinc/00/53/67/574005367.db2.gz FGOFKYTYBRUKNC-MRVPVSSYSA-N 0 0 197.209 1.609 10 0 ADAERN COc1cc(C=O)cc2oncc12 259270954 574005370 /nfs/dbraw/zinc/00/53/70/574005370.db2.gz BTGHERHFWCXJJA-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN CCCSc1cnc(N)nc1C 238239787 574005372 /nfs/dbraw/zinc/00/53/72/574005372.db2.gz RNIDLNXIBWHBTJ-UHFFFAOYSA-N 0 0 183.280 1.869 10 0 ADAERN CC[C@H](CC(=O)[O-])[NH+]1CC2(CCC2)C1 128032281 574005376 /nfs/dbraw/zinc/00/53/76/574005376.db2.gz XIJJXHXHUZMBCY-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC1(C)C[C@@H](O)S1 238239423 574005378 /nfs/dbraw/zinc/00/53/78/574005378.db2.gz ZYYYQMJDNMNQDI-BYPYZUCNSA-N 0 0 118.201 1.220 10 0 ADAERN C[C@@H]1CCCN(C(=O)c2cnoc2)C1 82318978 574005386 /nfs/dbraw/zinc/00/53/86/574005386.db2.gz PWRZKCGVAADXKH-MRVPVSSYSA-N 0 0 194.234 1.547 10 0 ADAERN Cc1cc([C@@](C)([NH3+])C(=O)[O-])sc1C 104486234 574005398 /nfs/dbraw/zinc/00/53/98/574005398.db2.gz TWKKVDAEVPFUGF-SECBINFHSA-N 0 0 199.275 1.623 10 0 ADAERN CC1(C)Cc2nc[nH]c2[C@@H](NC=O)C1 238239540 574005400 /nfs/dbraw/zinc/00/54/00/574005400.db2.gz MJALKTBWYOWVJU-QMMMGPOBSA-N 0 0 193.250 1.169 10 0 ADAERN CC(C)N1CC(Oc2nccs2)C1 585378958 574006839 /nfs/dbraw/zinc/00/68/39/574006839.db2.gz BZCICSKVVHJKEL-UHFFFAOYSA-N 0 0 198.291 1.615 10 0 ADAERN CC(C)n1cncc1[C@H](O)C1CC1 85188992 574006841 /nfs/dbraw/zinc/00/68/41/574006841.db2.gz VCOWNUNPHQDAFH-SNVBAGLBSA-N 0 0 180.251 1.907 10 0 ADAERN CCn1cncc1[C@H](O)c1ccoc1 85185207 574006853 /nfs/dbraw/zinc/00/68/53/574006853.db2.gz YEHROCPSGDAZNT-SNVBAGLBSA-N 0 0 192.218 1.578 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1[NH2+]CCc2occc21 74245205 574006867 /nfs/dbraw/zinc/00/68/67/574006867.db2.gz MBBFNZSVOBHWGO-IMTBSYHQSA-N 0 0 195.218 1.187 10 0 ADAERN OC1(CN2CC(F)(F)C2)CCCC1 585380433 574006876 /nfs/dbraw/zinc/00/68/76/574006876.db2.gz OIUOSXRQGMXXLY-UHFFFAOYSA-N 0 0 191.221 1.242 10 0 ADAERN C[C@@]1(CO)CCc2c(O)cccc2N1 258200815 574006879 /nfs/dbraw/zinc/00/68/79/574006879.db2.gz ODLWOCGJGKQNGE-NSHDSACASA-N 0 0 193.246 1.501 10 0 ADAERN CC(=O)[C@@H](N)c1cccc2[nH]ccc12 104485267 574006896 /nfs/dbraw/zinc/00/68/96/574006896.db2.gz AWLZSZRRNJFTLY-LLVKDONJSA-N 0 0 188.230 1.757 10 0 ADAERN CC1(C)C[C@H](O)C[C@@H]2OC(=O)C[C@@]21C 238239945 574006900 /nfs/dbraw/zinc/00/69/00/574006900.db2.gz QSPPLEHHCRPDJZ-FYBVGQRMSA-N 0 0 198.262 1.489 10 0 ADAERN C1=C[C@H]2CC[C@@H](C1)N2c1nncs1 585379510 574006922 /nfs/dbraw/zinc/00/69/22/574006922.db2.gz LDYWBVBZNCQNBL-JGVFFNPUSA-N 0 0 193.275 1.835 10 0 ADAERN O=C1CCN(C[C@@H]2CCCS2)CC1 87669444 574006923 /nfs/dbraw/zinc/00/69/23/574006923.db2.gz VYIHPNBZCKOEBO-JTQLQIEISA-N 0 0 199.319 1.547 10 0 ADAERN CCNc1cncc(NCC2CC2)n1 82304083 574006963 /nfs/dbraw/zinc/00/69/63/574006963.db2.gz LFYISVKBMBRYLJ-UHFFFAOYSA-N 0 0 192.266 1.730 10 0 ADAERN CCCC1C[NH+]([C@@H](CC)CC(=O)[O-])C1 128032553 574006967 /nfs/dbraw/zinc/00/69/67/574006967.db2.gz BKBOJUBPCGOONI-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@H]1[C@@H](O)CC12CC2 238240015 574006980 /nfs/dbraw/zinc/00/69/80/574006980.db2.gz BXWFJQNRPVVPNT-YUMQZZPRSA-N 0 0 140.226 1.948 10 0 ADAERN O=C(NC1CCCCC1)c1cnoc1 82301359 574006984 /nfs/dbraw/zinc/00/69/84/574006984.db2.gz BNDTXSFPQRYXAI-UHFFFAOYSA-N 0 0 194.234 1.737 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)NC(=O)C2 258198870 574007006 /nfs/dbraw/zinc/00/70/06/574007006.db2.gz YFBZTHGJECGRIG-ZETCQYMHSA-N 0 0 191.230 1.277 10 0 ADAERN CCn1cncc1[C@@H](O)C(C)(C)C 85185201 574007027 /nfs/dbraw/zinc/00/70/27/574007027.db2.gz AUZZUGDQCZHOTJ-SECBINFHSA-N 0 0 182.267 1.983 10 0 ADAERN CCC1=CC(=O)NCC(C)(C)C1 238239382 574007029 /nfs/dbraw/zinc/00/70/29/574007029.db2.gz SJURLKHEYWORFY-UHFFFAOYSA-N 0 0 167.252 1.869 10 0 ADAERN CC(C)n1cncc1[C@H]1CC(=O)N1 85189415 574007051 /nfs/dbraw/zinc/00/70/51/574007051.db2.gz CSMUNMYMCPMDKP-SSDOTTSWSA-N 0 0 179.223 1.025 10 0 ADAERN Nc1nnc([C@H]2CCCCS2)o1 87679812 574007054 /nfs/dbraw/zinc/00/70/54/574007054.db2.gz ZSLUWFWARCIAHS-RXMQYKEDSA-N 0 0 185.252 1.610 10 0 ADAERN CCCn1cncc1[C@H]1NCCS1 85186349 574007062 /nfs/dbraw/zinc/00/70/62/574007062.db2.gz GSCNOPCAWFWHFO-VIFPVBQESA-N 0 0 197.307 1.628 10 0 ADAERN Cc1cc2c(o1)C[C@@H](C)[NH2+][C@H]2C(=O)[O-] 74245049 574007068 /nfs/dbraw/zinc/00/70/68/574007068.db2.gz TYRJJUOEJXOBQM-MLUIRONXSA-N 0 0 195.218 1.248 10 0 ADAERN CCCn1cncc1[C@H]1CNC(=O)O1 85187608 574007073 /nfs/dbraw/zinc/00/70/73/574007073.db2.gz NSPKMFXTWUJFLG-MRVPVSSYSA-N 0 0 195.222 1.074 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cncn1C1CC1 85189756 574007092 /nfs/dbraw/zinc/00/70/92/574007092.db2.gz MNJBVIBHPMQCME-ZJUUUORDSA-N 0 0 190.246 1.911 10 0 ADAERN COc1cc(O)cc(C)c1C(C)(C)O 258201115 574007104 /nfs/dbraw/zinc/00/71/04/574007104.db2.gz 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574013505 /nfs/dbraw/zinc/01/35/05/574013505.db2.gz IHSPXLCPAPYFPQ-QMMMGPOBSA-N 0 0 187.283 1.559 10 0 ADAERN CCC[C@H](C)Cc1nc(CNC)no1 393604078 574013565 /nfs/dbraw/zinc/01/35/65/574013565.db2.gz IAAIYIANEGFPRH-QMMMGPOBSA-N 0 0 197.282 1.768 10 0 ADAERN CO[C@H](C)C[C@@H](O)c1cncc(C)c1 128052153 574013569 /nfs/dbraw/zinc/01/35/69/574013569.db2.gz FFRPFHVPPGYOTC-MWLCHTKSSA-N 0 0 195.262 1.848 10 0 ADAERN CCC[C@H](N)C(=O)OC1CCCC1 48632285 574013529 /nfs/dbraw/zinc/01/35/29/574013529.db2.gz CUWUDIYTTLMYHS-VIFPVBQESA-N 0 0 185.267 1.600 10 0 ADAERN O=Cc1cncn1Cc1cscn1 85194957 574013530 /nfs/dbraw/zinc/01/35/30/574013530.db2.gz PPQZUYQVEZXWMQ-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN C[C@@](O)(c1ccoc1)C(F)F 87687882 574013532 /nfs/dbraw/zinc/01/35/32/574013532.db2.gz HSBAAWKKTADQSF-SSDOTTSWSA-N 0 0 162.135 1.752 10 0 ADAERN C[C@@](O)(c1cccc(O)c1)C(F)F 87687748 574013536 /nfs/dbraw/zinc/01/35/36/574013536.db2.gz JKFPDCRCOVBDFJ-SECBINFHSA-N 0 0 188.173 1.865 10 0 ADAERN 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0 173.256 1.485 10 0 ADAERN Cc1cc(=O)n(C2CCCC2)cn1 585384781 574017801 /nfs/dbraw/zinc/01/78/01/574017801.db2.gz DIINOIPJSATKKN-UHFFFAOYSA-N 0 0 178.235 1.667 10 0 ADAERN Cc1cnccc1[C@H](N)C(F)(F)F 104501511 574017813 /nfs/dbraw/zinc/01/78/13/574017813.db2.gz AELKWFIIPALHHX-ZETCQYMHSA-N 0 0 190.168 1.952 10 0 ADAERN Cc1cc(C(=O)[O-])c([C@@H](C)[NH3+])cc1F 104503871 574017817 /nfs/dbraw/zinc/01/78/17/574017817.db2.gz LDEGCWUBRZOWOJ-ZCFIWIBFSA-N 0 0 197.209 1.852 10 0 ADAERN Nc1nnc(COC2CCCC2)s1 87692638 574017830 /nfs/dbraw/zinc/01/78/30/574017830.db2.gz PVQBLVIJVSFXOD-UHFFFAOYSA-N 0 0 199.279 1.580 10 0 ADAERN [NH3+][C@@H](c1csc(C(=O)[O-])c1)C1CC1 104500806 574017840 /nfs/dbraw/zinc/01/78/40/574017840.db2.gz BRFWXFBCWMSRLW-MRVPVSSYSA-N 0 0 197.259 1.856 10 0 ADAERN F[C@H]1OCCC[C@H]1Nc1ncccn1 585384602 574017844 /nfs/dbraw/zinc/01/78/44/574017844.db2.gz SPOFECJDTKWPQM-SFYZADRCSA-N 0 0 197.213 1.363 10 0 ADAERN C[C@H](O)[C@H]1CCCS1 87703382 574017855 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87692793 574018050 /nfs/dbraw/zinc/01/80/50/574018050.db2.gz BHOYRYFUJPQULG-UHFFFAOYSA-N 0 0 185.252 1.189 10 0 ADAERN Cn1ccnc1C(=O)[C@H]1CCCS1 87701098 574018056 /nfs/dbraw/zinc/01/80/56/574018056.db2.gz WFTDIATWHRUNPR-SSDOTTSWSA-N 0 0 196.275 1.498 10 0 ADAERN CO[C@H](C)C[C@H](O)c1ccco1 128123862 574018057 /nfs/dbraw/zinc/01/80/57/574018057.db2.gz MOYXWNKPLSVILL-SFYZADRCSA-N 0 0 170.208 1.738 10 0 ADAERN O=c1ccnc([C@@H]2CCCS2)[nH]1 87700658 574018058 /nfs/dbraw/zinc/01/80/58/574018058.db2.gz QLAJTBZTTZIDDF-LURJTMIESA-N 0 0 182.248 1.338 10 0 ADAERN NC(=S)[C@@H]1CCCS1 87699606 574018063 /nfs/dbraw/zinc/01/80/63/574018063.db2.gz OXPYXRLBNTVGFB-BYPYZUCNSA-N 0 0 147.268 1.168 10 0 ADAERN CCOC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 87689843 574018094 /nfs/dbraw/zinc/01/80/94/574018094.db2.gz DJZIKKVPKWVRNA-PRJMDXOYSA-N 0 0 185.223 1.052 10 0 ADAERN CCOC[C@@H](O)[C@H]1CCCS1 87703062 574018100 /nfs/dbraw/zinc/01/81/00/574018100.db2.gz PYCZXWSPGNDIDP-HTQZYQBOSA-N 0 0 176.281 1.279 10 0 ADAERN 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/nfs/dbraw/zinc/01/82/73/574018273.db2.gz XKMKLAPSNYELAM-UHFFFAOYSA-N 0 0 189.309 1.833 10 0 ADAERN CCNC1(C(F)F)CCC1 87689206 574018279 /nfs/dbraw/zinc/01/82/79/574018279.db2.gz LCCLLHZXOVYARW-UHFFFAOYSA-N 0 0 149.184 1.784 10 0 ADAERN CCC[C@H](C[C@H](C)C(=O)[O-])[NH2+]C 259273125 574018286 /nfs/dbraw/zinc/01/82/86/574018286.db2.gz IAYZZGQXVJIGMZ-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@H]([NH3+])c1cccc(C(=O)[O-])c1F 104504643 574018315 /nfs/dbraw/zinc/01/83/15/574018315.db2.gz JHKUAICHNAFRLK-QMMMGPOBSA-N 0 0 197.209 1.934 10 0 ADAERN Cc1ccc([C@H](N)c2ncc[nH]2)o1 259274954 574018335 /nfs/dbraw/zinc/01/83/35/574018335.db2.gz VIEAEQQBGLEGMV-QMMMGPOBSA-N 0 0 177.207 1.359 10 0 ADAERN O[C@@H](c1cncnc1)[C@H]1CCCS1 87702928 574018359 /nfs/dbraw/zinc/01/83/59/574018359.db2.gz FCHYVQYCPVAJAQ-BDAKNGLRSA-N 0 0 196.275 1.406 10 0 ADAERN COc1cccnc1CC(C)(C)O 259273233 574018361 /nfs/dbraw/zinc/01/83/61/574018361.db2.gz MAJRYCXWXRDXJR-UHFFFAOYSA-N 0 0 181.235 1.404 10 0 ADAERN CCCSCc1nnc(N)s1 87692903 574018384 /nfs/dbraw/zinc/01/83/84/574018384.db2.gz HNRHDTWBLULCMW-UHFFFAOYSA-N 0 0 189.309 1.764 10 0 ADAERN c1nocc1OC[C@H]1CCSC1 258467454 574018411 /nfs/dbraw/zinc/01/84/11/574018411.db2.gz KTFBAIMKOQJVAM-SSDOTTSWSA-N 0 0 185.248 1.807 10 0 ADAERN Cn1ccnc1[C@H](O)[C@H]1CCCS1 87702278 574018413 /nfs/dbraw/zinc/01/84/13/574018413.db2.gz VMMBOFAXNKJCBP-HTQZYQBOSA-N 0 0 198.291 1.349 10 0 ADAERN O=C([O-])c1cc([C@H]2CCC[NH2+]2)cs1 104501777 574017676 /nfs/dbraw/zinc/01/76/76/574017676.db2.gz MQOFDIBTVUDIQG-SSDOTTSWSA-N 0 0 197.259 1.871 10 0 ADAERN CC(C)n1cnc(C(F)F)cc1=O 585385289 574019596 /nfs/dbraw/zinc/01/95/96/574019596.db2.gz WDXWUBAALRZAOC-UHFFFAOYSA-N 0 0 188.177 1.762 10 0 ADAERN F[C@H]1CCC[C@@H]1NCc1c[nH]cn1 585385831 574020384 /nfs/dbraw/zinc/02/03/84/574020384.db2.gz HZYROWQWAOKCTD-IUCAKERBSA-N 0 0 183.230 1.390 10 0 ADAERN COC(=O)C1(C(=O)C(C)(C)C)CCC1 259274406 574019618 /nfs/dbraw/zinc/01/96/18/574019618.db2.gz YMGHSDLSIJZXLN-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN Cc1nc(CN[C@@H]2CCC[C@H]2F)no1 585385845 574019627 /nfs/dbraw/zinc/01/96/27/574019627.db2.gz IRUFWPAIPJZZLV-HTQZYQBOSA-N 0 0 199.229 1.358 10 0 ADAERN Fc1cnc(N[C@H]2CCC[C@@H]2F)nc1 585385953 574019637 /nfs/dbraw/zinc/01/96/37/574019637.db2.gz MFYDCIKHSGQUAK-YUMQZZPRSA-N 0 0 199.204 1.918 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccc(O)cc1 85231070 574019638 /nfs/dbraw/zinc/01/96/38/574019638.db2.gz PGMMAHOEVJBNJP-SSDOTTSWSA-N 0 0 195.218 1.366 10 0 ADAERN O[C@H](c1cnccn1)[C@H]1CCCS1 87703684 574019647 /nfs/dbraw/zinc/01/96/47/574019647.db2.gz HBJUAEZSNDTBHU-RKDXNWHRSA-N 0 0 196.275 1.406 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]([NH3+])c1ccc[nH]1 259276329 574019670 /nfs/dbraw/zinc/01/96/70/574019670.db2.gz JBHMCNWOHSUUQC-HZGVNTEJSA-N 0 0 182.223 1.125 10 0 ADAERN CCCCCC[C@H](F)[C@@H](O)CO 223850574 574019680 /nfs/dbraw/zinc/01/96/80/574019680.db2.gz YQFQPQXVLIXANL-IUCAKERBSA-N 0 0 178.247 1.648 10 0 ADAERN COC(=N)[C@@H]1CCCCS1 87714802 574019705 /nfs/dbraw/zinc/01/97/05/574019705.db2.gz KQLBXPNFIBKLSP-LURJTMIESA-N 0 0 159.254 1.896 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(F)c(C(=O)[O-])c1 104504636 574019710 /nfs/dbraw/zinc/01/97/10/574019710.db2.gz ORZBPJJANUNLNX-SECBINFHSA-N 0 0 197.209 1.934 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]([NH3+])c1ccc[nH]1 259276334 574019730 /nfs/dbraw/zinc/01/97/30/574019730.db2.gz JBHMCNWOHSUUQC-MUWHJKNJSA-N 0 0 182.223 1.125 10 0 ADAERN C[NH2+]Cc1cnc([C@@H]2CCCS2)[nH]1 87716555 574019738 /nfs/dbraw/zinc/01/97/38/574019738.db2.gz OCPIEBVTRFQZPK-QMMMGPOBSA-N 0 0 197.307 1.697 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(O)c(Cl)c1 104504206 574019740 /nfs/dbraw/zinc/01/97/40/574019740.db2.gz KERNTZBWYHDPPZ-SECBINFHSA-N 0 0 199.637 1.634 10 0 ADAERN O=c1cc2c(nn1CC1CC1)CCC2 585385105 574019761 /nfs/dbraw/zinc/01/97/61/574019761.db2.gz OUKSCFHYMYDQQA-UHFFFAOYSA-N 0 0 190.246 1.142 10 0 ADAERN Cc1ncn(C2CCC2)c(=O)c1C 585385320 574019771 /nfs/dbraw/zinc/01/97/71/574019771.db2.gz XKZAMMPJFBCYBK-UHFFFAOYSA-N 0 0 178.235 1.585 10 0 ADAERN CC(=O)[C@H](N)c1ccc(O)c(Cl)c1 104504202 574019790 /nfs/dbraw/zinc/01/97/90/574019790.db2.gz KERNTZBWYHDPPZ-VIFPVBQESA-N 0 0 199.637 1.634 10 0 ADAERN [O-]c1c(F)cc([C@H]2CC[NH2+]2)cc1F 104505046 574019817 /nfs/dbraw/zinc/01/98/17/574019817.db2.gz LTCQSYYRUQADDG-MRVPVSSYSA-N 0 0 185.173 1.705 10 0 ADAERN O=C(c1ccc[nH]1)C1(CO)CCC1 259274245 574019825 /nfs/dbraw/zinc/01/98/25/574019825.db2.gz YKWAGMDFXOTZOR-UHFFFAOYSA-N 0 0 179.219 1.360 10 0 ADAERN Cc1cc(N)nc([C@@H]2CCCS2)n1 87715432 574019827 /nfs/dbraw/zinc/01/98/27/574019827.db2.gz VIMRMFVUQQUZBO-ZETCQYMHSA-N 0 0 195.291 1.935 10 0 ADAERN F[C@@H]1CCC[C@H]1Nc1ncccn1 585385692 574019838 /nfs/dbraw/zinc/01/98/38/574019838.db2.gz FTBJEDSOKRNLOR-HTQZYQBOSA-N 0 0 181.214 1.779 10 0 ADAERN Cc1oncc1CN[C@H]1CCC[C@H]1F 585385495 574019844 /nfs/dbraw/zinc/01/98/44/574019844.db2.gz BWBDAKBSDPHAEF-ZJUUUORDSA-N 0 0 198.241 1.963 10 0 ADAERN CONCc1ccc(C)cc1N(C)C 259274282 574019865 /nfs/dbraw/zinc/01/98/65/574019865.db2.gz BWNIYAWCRFZRBV-UHFFFAOYSA-N 0 0 194.278 1.712 10 0 ADAERN Cc1c([C@H](C)[NH3+])csc1C(=O)[O-] 104504273 574019884 /nfs/dbraw/zinc/01/98/84/574019884.db2.gz SHMNLBPRKMHCBF-YFKPBYRVSA-N 0 0 185.248 1.774 10 0 ADAERN O=c1cc2c(nn1C1CCC1)CCC2 585385191 574019935 /nfs/dbraw/zinc/01/99/35/574019935.db2.gz SHPRXQOGVKOWBY-UHFFFAOYSA-N 0 0 190.246 1.457 10 0 ADAERN CN(Cc1cocn1)[C@H]1CCC[C@@H]1F 585386236 574019946 /nfs/dbraw/zinc/01/99/46/574019946.db2.gz WMOMGHURWJPFMJ-UWVGGRQHSA-N 0 0 198.241 1.997 10 0 ADAERN OCc1c[nH]c([C@@H]2CCCS2)n1 87716511 574019969 /nfs/dbraw/zinc/01/99/69/574019969.db2.gz TYQAWKIDERFSRJ-ZETCQYMHSA-N 0 0 184.264 1.470 10 0 ADAERN Cc1cc(CN[C@H]2CCC[C@@H]2F)on1 585385789 574019978 /nfs/dbraw/zinc/01/99/78/574019978.db2.gz GWXPLBSMGIMZPZ-UWVGGRQHSA-N 0 0 198.241 1.963 10 0 ADAERN CC(C)C[C@@H]([NH3+])/C=C/C(=O)[O-] 111450212 574019986 /nfs/dbraw/zinc/01/99/86/574019986.db2.gz LSOZONHCHUEHFF-SDLBARTOSA-N 0 0 157.213 1.001 10 0 ADAERN Cc1nc(CN[C@@H]2CCC[C@@H]2F)no1 585385846 574020000 /nfs/dbraw/zinc/02/00/00/574020000.db2.gz IRUFWPAIPJZZLV-JGVFFNPUSA-N 0 0 199.229 1.358 10 0 ADAERN CNc1ccc(N(C)CCOC)cc1 259274225 574020004 /nfs/dbraw/zinc/02/00/04/574020004.db2.gz NWTDZCKZXPLCEG-UHFFFAOYSA-N 0 0 194.278 1.811 10 0 ADAERN C[NH2+]Cc1cnc([C@H]2CCCS2)[nH]1 87716556 574020007 /nfs/dbraw/zinc/02/00/07/574020007.db2.gz OCPIEBVTRFQZPK-MRVPVSSYSA-N 0 0 197.307 1.697 10 0 ADAERN NN=Cc1cnc2ccc(Cl)cn12 393554978 574020012 /nfs/dbraw/zinc/02/00/12/574020012.db2.gz OUIWZTGEFXPVIH-UHFFFAOYSA-N 0 0 194.625 1.280 10 0 ADAERN CN(C)c1ccc(=O)n(C2CCC2)n1 585383756 574020019 /nfs/dbraw/zinc/02/00/19/574020019.db2.gz FBQOEEFVJQSEIP-UHFFFAOYSA-N 0 0 193.250 1.034 10 0 ADAERN OCc1ccnc([C@H]2CCCS2)n1 87716268 574020024 /nfs/dbraw/zinc/02/00/24/574020024.db2.gz JFRKOQXVEBNFTR-MRVPVSSYSA-N 0 0 196.275 1.537 10 0 ADAERN CN(Cc1ncno1)C1CCC1 585383583 574020025 /nfs/dbraw/zinc/02/00/25/574020025.db2.gz LSGLCGQYUZNRMV-UHFFFAOYSA-N 0 0 167.212 1.054 10 0 ADAERN COC[C@H](O)[C@@H]1CCCCS1 87704836 574020047 /nfs/dbraw/zinc/02/00/47/574020047.db2.gz YAJVTWMCTWOILI-YUMQZZPRSA-N 0 0 176.281 1.279 10 0 ADAERN OCc1c[nH]c([C@@H]2CCCCS2)n1 87716508 574020091 /nfs/dbraw/zinc/02/00/91/574020091.db2.gz YSNISRVGGBNGIK-QMMMGPOBSA-N 0 0 198.291 1.860 10 0 ADAERN Nc1ccc(C=O)c2nsnc12 104508803 574020092 /nfs/dbraw/zinc/02/00/92/574020092.db2.gz SZHTYKGRQTTWHR-UHFFFAOYSA-N 0 0 179.204 1.086 10 0 ADAERN [NH3+][C@@H](c1cc(O)cc(F)c1)C1CC1 104506527 574020104 /nfs/dbraw/zinc/02/01/04/574020104.db2.gz CVLMZBZJWIVYGS-SNVBAGLBSA-N 0 0 181.210 1.941 10 0 ADAERN F[C@H]1CCC[C@@H]1NCc1ncon1 585385893 574020114 /nfs/dbraw/zinc/02/01/14/574020114.db2.gz JZTSHHBEVTZIID-BQBZGAKWSA-N 0 0 185.202 1.050 10 0 ADAERN CCOC(=N)[C@@H]1CCCS1 87714812 574020117 /nfs/dbraw/zinc/02/01/17/574020117.db2.gz PCBAOORJPWGOAU-LURJTMIESA-N 0 0 159.254 1.896 10 0 ADAERN F[C@@H]1CCC[C@H]1NCc1cocn1 585385529 574020119 /nfs/dbraw/zinc/02/01/19/574020119.db2.gz COIKLPLIUNQRJD-RKDXNWHRSA-N 0 0 184.214 1.655 10 0 ADAERN O=Cc1nc([C@@H]2CCCCS2)no1 87716807 574020142 /nfs/dbraw/zinc/02/01/42/574020142.db2.gz INEZOATTYTTYTR-LURJTMIESA-N 0 0 198.247 1.840 10 0 ADAERN OCc1ccnc([C@@H]2CCCS2)n1 87716266 574020161 /nfs/dbraw/zinc/02/01/61/574020161.db2.gz JFRKOQXVEBNFTR-QMMMGPOBSA-N 0 0 196.275 1.537 10 0 ADAERN Cc1ncn(C2CCCC2)c(=O)c1C 585385318 574020162 /nfs/dbraw/zinc/02/01/62/574020162.db2.gz XFCOLFADTXNKHP-UHFFFAOYSA-N 0 0 192.262 1.975 10 0 ADAERN Cc1ocnc1CN[C@H]1CCC[C@H]1F 585385598 574020170 /nfs/dbraw/zinc/02/01/70/574020170.db2.gz DKGMKODKEMZACH-BDAKNGLRSA-N 0 0 198.241 1.963 10 0 ADAERN COC[C@@H](O)[C@@H]1CCCCS1 87704838 574020182 /nfs/dbraw/zinc/02/01/82/574020182.db2.gz YAJVTWMCTWOILI-SFYZADRCSA-N 0 0 176.281 1.279 10 0 ADAERN O=c1[nH]nccc1C1CCC1 104508824 574020183 /nfs/dbraw/zinc/02/01/83/574020183.db2.gz KPJNERKAFDBKOY-UHFFFAOYSA-N 0 0 150.181 1.037 10 0 ADAERN CO[C@@H](C)C[C@H](O)Cc1ccco1 128131052 574020185 /nfs/dbraw/zinc/02/01/85/574020185.db2.gz XCKGWJJJBWYEKA-IUCAKERBSA-N 0 0 184.235 1.608 10 0 ADAERN OCc1c[nH]c([C@H]2CCCCS2)n1 87716510 574020186 /nfs/dbraw/zinc/02/01/86/574020186.db2.gz YSNISRVGGBNGIK-MRVPVSSYSA-N 0 0 198.291 1.860 10 0 ADAERN Clc1cncc([C@H]2COCCN2)c1 104504846 574020206 /nfs/dbraw/zinc/02/02/06/574020206.db2.gz QPGWVHLKUQSDPI-SECBINFHSA-N 0 0 198.653 1.396 10 0 ADAERN CC[C@H]([NH3+])c1csc(C(=O)[O-])c1 104504277 574020212 /nfs/dbraw/zinc/02/02/12/574020212.db2.gz PJSLGWUSGSXASO-LURJTMIESA-N 0 0 185.248 1.856 10 0 ADAERN CN(Cc1cocn1)[C@@H]1CCC[C@H]1F 585386235 574020213 /nfs/dbraw/zinc/02/02/13/574020213.db2.gz WMOMGHURWJPFMJ-NXEZZACHSA-N 0 0 198.241 1.997 10 0 ADAERN CCCC[C@@H](O)C[C@H](C)OC 128137299 574020234 /nfs/dbraw/zinc/02/02/34/574020234.db2.gz AJCHXOSLYQTOOI-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN CC[C@H]([NH3+])c1cc(F)ccc1C(=O)[O-] 104504620 574020249 /nfs/dbraw/zinc/02/02/49/574020249.db2.gz PDWXONJNKAYLSP-VIFPVBQESA-N 0 0 197.209 1.934 10 0 ADAERN CC(C)n1cnc(C2CC2)cc1=O 585385281 574020251 /nfs/dbraw/zinc/02/02/51/574020251.db2.gz VXGGBZQMPGXRBY-UHFFFAOYSA-N 0 0 178.235 1.702 10 0 ADAERN Cc1c([C@@H](C)[NH3+])csc1C(=O)[O-] 104504269 574020262 /nfs/dbraw/zinc/02/02/62/574020262.db2.gz SHMNLBPRKMHCBF-RXMQYKEDSA-N 0 0 185.248 1.774 10 0 ADAERN C[C@@H]([NH3+])c1csc(CC(=O)[O-])c1 104504286 574020265 /nfs/dbraw/zinc/02/02/65/574020265.db2.gz UCLBJYANWOTAFX-RXMQYKEDSA-N 0 0 185.248 1.395 10 0 ADAERN CC[C@@H]([NH3+])c1cccc(C(=O)[O-])c1F 104504647 574020289 /nfs/dbraw/zinc/02/02/89/574020289.db2.gz JHKUAICHNAFRLK-MRVPVSSYSA-N 0 0 197.209 1.934 10 0 ADAERN COc1ccc2c(c1)C[C@@H]2OC 258524264 574020290 /nfs/dbraw/zinc/02/02/90/574020290.db2.gz MQQVRFLTATWEJW-JTQLQIEISA-N 0 0 164.204 1.939 10 0 ADAERN CC[C@H]([NH3+])c1cnc(C(=O)[O-])c(F)c1 104504049 574020291 /nfs/dbraw/zinc/02/02/91/574020291.db2.gz FQIJWYMIBPKELD-ZETCQYMHSA-N 0 0 198.197 1.329 10 0 ADAERN OCc1nc([C@@H]2CCCS2)no1 87716917 574020298 /nfs/dbraw/zinc/02/02/98/574020298.db2.gz SCANDRJBZFIEHG-YFKPBYRVSA-N 0 0 186.236 1.130 10 0 ADAERN Cc1ccc(=O)n(CC(F)(F)F)n1 585383711 574020305 /nfs/dbraw/zinc/02/03/05/574020305.db2.gz BLQMBAKLALPFCC-UHFFFAOYSA-N 0 0 192.140 1.114 10 0 ADAERN Cc1oncc1CN[C@H]1CCC[C@@H]1F 585385493 574020322 /nfs/dbraw/zinc/02/03/22/574020322.db2.gz BWBDAKBSDPHAEF-UWVGGRQHSA-N 0 0 198.241 1.963 10 0 ADAERN O=Cc1nc([C@H]2CCCS2)no1 87716745 574020332 /nfs/dbraw/zinc/02/03/32/574020332.db2.gz NQOMIUALJRFVJU-RXMQYKEDSA-N 0 0 184.220 1.450 10 0 ADAERN O=Cc1cnc([C@@H]2CCCS2)nc1 87716113 574020337 /nfs/dbraw/zinc/02/03/37/574020337.db2.gz OYJRSYFFZZNPKJ-QMMMGPOBSA-N 0 0 194.259 1.857 10 0 ADAERN O=c1ccncn1C1CCCC1 585385273 574020339 /nfs/dbraw/zinc/02/03/39/574020339.db2.gz VPDZBQWFQOXGAM-UHFFFAOYSA-N 0 0 164.208 1.358 10 0 ADAERN CN1CCCC[C@H]1Oc1cnsc1 258467459 574020372 /nfs/dbraw/zinc/02/03/72/574020372.db2.gz KTGIZIIYKIKDOH-SECBINFHSA-N 0 0 198.291 1.964 10 0 ADAERN Cc1cc(=O)n(CC2CC2)c(C)n1 585385280 574020373 /nfs/dbraw/zinc/02/03/73/574020373.db2.gz VXFBUBOFTXELNE-UHFFFAOYSA-N 0 0 178.235 1.270 10 0 ADAERN Nc1ccc2nc(CO)ccc2c1 104506965 574020381 /nfs/dbraw/zinc/02/03/81/574020381.db2.gz UGFOVDGLUZEDBV-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN CCc1[nH]c(=O)[nH]c1C1CCC1 258524236 574020382 /nfs/dbraw/zinc/02/03/82/574020382.db2.gz MPAUONCPUSSFKV-UHFFFAOYSA-N 0 0 166.224 1.945 10 0 ADAERN O=c1[nH]nccc1C1CCCCC1 104509576 574021323 /nfs/dbraw/zinc/02/13/23/574021323.db2.gz FRSCNYVLUPIOMV-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN C[C@@H]([NH3+])c1cc(C(=O)[O-])c(N)cc1F 104511412 574021338 /nfs/dbraw/zinc/02/13/38/574021338.db2.gz DLKSEPBPDBZKIC-SCSAIBSYSA-N 0 0 198.197 1.126 10 0 ADAERN CC(=O)c1nc([C@@H]2CCCS2)no1 87716728 574021339 /nfs/dbraw/zinc/02/13/39/574021339.db2.gz SSBBMPHGRRINAL-LURJTMIESA-N 0 0 198.247 1.840 10 0 ADAERN CO[C@@H](C)C[C@H](O)Cc1ccccn1 128145764 574021346 /nfs/dbraw/zinc/02/13/46/574021346.db2.gz CYXFFVJPPFGQFT-ONGXEEELSA-N 0 0 195.262 1.410 10 0 ADAERN COC(=N)[C@@H]1CCCS1 87714805 574021348 /nfs/dbraw/zinc/02/13/48/574021348.db2.gz OTDAAVFSBCGCKQ-YFKPBYRVSA-N 0 0 145.227 1.506 10 0 ADAERN O=Cc1cnc([C@H]2CCCS2)nc1 87716115 574021350 /nfs/dbraw/zinc/02/13/50/574021350.db2.gz OYJRSYFFZZNPKJ-MRVPVSSYSA-N 0 0 194.259 1.857 10 0 ADAERN CO[C@@H](C)C[C@H](O)CC1CC1 128143965 574021371 /nfs/dbraw/zinc/02/13/71/574021371.db2.gz LMJSNDPYULOSFS-CBAPKCEASA-N 0 0 158.241 1.572 10 0 ADAERN CNc1nc([C@H]2CCCS2)no1 87716029 574021372 /nfs/dbraw/zinc/02/13/72/574021372.db2.gz ABXBDAVEPCMIMI-RXMQYKEDSA-N 0 0 185.252 1.679 10 0 ADAERN CNOCc1ccccc1O 258524282 574021378 /nfs/dbraw/zinc/02/13/78/574021378.db2.gz MRHZJNTYIWVSMS-UHFFFAOYSA-N 0 0 153.181 1.043 10 0 ADAERN COC[C@H](O)[C@H]1CCCCS1 87704840 574021381 /nfs/dbraw/zinc/02/13/81/574021381.db2.gz YAJVTWMCTWOILI-JGVFFNPUSA-N 0 0 176.281 1.279 10 0 ADAERN CO[C@H](C)C[C@H](O)Cc1ccccn1 128146021 574021408 /nfs/dbraw/zinc/02/14/08/574021408.db2.gz CYXFFVJPPFGQFT-KOLCDFICSA-N 0 0 195.262 1.410 10 0 ADAERN COc1ccc2c(c1)C[C@H]2OC 258524265 574021435 /nfs/dbraw/zinc/02/14/35/574021435.db2.gz MQQVRFLTATWEJW-SNVBAGLBSA-N 0 0 164.204 1.939 10 0 ADAERN Cn1nccc1[C@@H](O)[C@H]1CCCS1 87703538 574021457 /nfs/dbraw/zinc/02/14/57/574021457.db2.gz HTGGLDMQVIWJSD-RKDXNWHRSA-N 0 0 198.291 1.349 10 0 ADAERN O=Cc1ccnc([C@H]2CCCS2)n1 87716101 574021467 /nfs/dbraw/zinc/02/14/67/574021467.db2.gz DBMUQVQURKZCDW-MRVPVSSYSA-N 0 0 194.259 1.857 10 0 ADAERN Cc1cc(N)cc2c1CCC2=O 104511884 574021491 /nfs/dbraw/zinc/02/14/91/574021491.db2.gz IUFZOMRDKUJIKR-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN CC[C@@H]([NH3+])c1cc(OC)c(O)cc1F 104514025 574021495 /nfs/dbraw/zinc/02/14/95/574021495.db2.gz KPUYSKHRUUSKQS-MRVPVSSYSA-N 0 0 199.225 1.950 10 0 ADAERN Cn1cc([C@@H](O)[C@@H]2CCCS2)cn1 87703657 574021500 /nfs/dbraw/zinc/02/15/00/574021500.db2.gz LWRBOJDUDRHKPZ-DTWKUNHWSA-N 0 0 198.291 1.349 10 0 ADAERN CCCn1nncc1C(=O)C(F)F 128153570 574021535 /nfs/dbraw/zinc/02/15/35/574021535.db2.gz BNOOUQLAHAWYFU-UHFFFAOYSA-N 0 0 189.165 1.136 10 0 ADAERN Cc1cc([C@](C)([NH3+])CO)cs1 104513953 574021593 /nfs/dbraw/zinc/02/15/93/574021593.db2.gz JURILCXFAPGESJ-MRVPVSSYSA-N 0 0 171.265 1.223 10 0 ADAERN CCCNC(=O)N1CC(CF)C1 585390475 574021609 /nfs/dbraw/zinc/02/16/09/574021609.db2.gz VUOCGGYNLNUUDZ-UHFFFAOYSA-N 0 0 174.219 1.007 10 0 ADAERN CCn1nncc1N[C@H]1CC12CC2 715225011 574021610 /nfs/dbraw/zinc/02/16/10/574021610.db2.gz WBECBWGYUHJXFY-ZETCQYMHSA-N 0 0 178.239 1.262 10 0 ADAERN Nc1cccc(NC2CCOCC2)[nH+]1 87725952 574021691 /nfs/dbraw/zinc/02/16/91/574021691.db2.gz RZGBUWCRSJVXAL-UHFFFAOYSA-N 0 0 193.250 1.255 10 0 ADAERN Nc1cncc(Oc2cccnc2)n1 87725294 574021724 /nfs/dbraw/zinc/02/17/24/574021724.db2.gz VXHBKGONEUBOLN-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN Nc1cc(F)c2c(c1)C(=O)CCC2 104511078 574021733 /nfs/dbraw/zinc/02/17/33/574021733.db2.gz YEZGTQPQGOFMKO-UHFFFAOYSA-N 0 0 179.194 1.927 10 0 ADAERN Nc1cc(C[C@@H]2CCCCS2)[nH]n1 259277116 574021734 /nfs/dbraw/zinc/02/17/34/574021734.db2.gz PJIXJKALKFTFJC-QMMMGPOBSA-N 0 0 197.307 1.820 10 0 ADAERN C[NH2+][C@H](CO)c1ccc2cc[nH]c2c1 104516666 574021747 /nfs/dbraw/zinc/02/17/47/574021747.db2.gz BIBKQMDZOJHNCZ-LLVKDONJSA-N 0 0 190.246 1.421 10 0 ADAERN Nc1cccc(NCC2CC2)[nH+]1 87725752 574021750 /nfs/dbraw/zinc/02/17/50/574021750.db2.gz NAUTWSCRAJEGEN-UHFFFAOYSA-N 0 0 163.224 1.486 10 0 ADAERN CCOC(=O)N1CC(CF)C1 585390333 574021778 /nfs/dbraw/zinc/02/17/78/574021778.db2.gz MMTASLPAYXIMEJ-UHFFFAOYSA-N 0 0 161.176 1.044 10 0 ADAERN O=C1CCCC[C@]12NCCS2 104512725 574021785 /nfs/dbraw/zinc/02/17/85/574021785.db2.gz MJLGGQVWFZGAQW-MRVPVSSYSA-N 0 0 171.265 1.162 10 0 ADAERN CCC(C)(C)N(C)c1cncc(N)n1 87725066 574021803 /nfs/dbraw/zinc/02/18/03/574021803.db2.gz KJUCDKOPBKUOHM-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN Nc1cccc(NC[C@H]2CCCO2)[nH+]1 87725832 574021816 /nfs/dbraw/zinc/02/18/16/574021816.db2.gz USCDEJUVSPLJSD-MRVPVSSYSA-N 0 0 193.250 1.255 10 0 ADAERN CSCCNc1cccc(N)[nH+]1 87726368 574021832 /nfs/dbraw/zinc/02/18/32/574021832.db2.gz KUDFMFOCHMTQGR-UHFFFAOYSA-N 0 0 183.280 1.439 10 0 ADAERN COc1ccc(C(=O)[O-])c([C@@H](C)[NH3+])c1 104510042 574021845 /nfs/dbraw/zinc/02/18/45/574021845.db2.gz AWHRHBGHHZKSFH-ZCFIWIBFSA-N 0 0 195.218 1.413 10 0 ADAERN CC[C@H]([NH3+])c1ccc(C(=O)[O-])o1 104509857 574021856 /nfs/dbraw/zinc/02/18/56/574021856.db2.gz JTXKAXHLTJKCCD-YFKPBYRVSA-N 0 0 169.180 1.388 10 0 ADAERN O=C1CCc2c(CO)cc(F)cc21 104511063 574021861 /nfs/dbraw/zinc/02/18/61/574021861.db2.gz GTMKVBGNXVADLO-UHFFFAOYSA-N 0 0 180.178 1.447 10 0 ADAERN C[C@H]1C[C@H]1Nc1cccc(N)[nH+]1 87726319 574021862 /nfs/dbraw/zinc/02/18/62/574021862.db2.gz XBETYZBICVNNPA-NKWVEPMBSA-N 0 0 163.224 1.484 10 0 ADAERN CC(C)CC(=O)N1CC(CF)C1 585390450 574021863 /nfs/dbraw/zinc/02/18/63/574021863.db2.gz VBLBIMKRIKYIRJ-UHFFFAOYSA-N 0 0 173.231 1.460 10 0 ADAERN O=c1cc(C2CCC2)cn[nH]1 104509587 574021873 /nfs/dbraw/zinc/02/18/73/574021873.db2.gz MFNKMZVXWZLHBC-UHFFFAOYSA-N 0 0 150.181 1.037 10 0 ADAERN O=Cc1ccc(OCC2CC2)nc1 87718072 574021879 /nfs/dbraw/zinc/02/18/79/574021879.db2.gz JAZGZNUKSCDSDF-UHFFFAOYSA-N 0 0 177.203 1.683 10 0 ADAERN CC(C)[C@@H](C)N(C)c1cncc(N)n1 87724777 574021890 /nfs/dbraw/zinc/02/18/90/574021890.db2.gz LOJAGWKZVSQRGW-MRVPVSSYSA-N 0 0 194.282 1.540 10 0 ADAERN C[C@@H](Nc1cccc(N)[nH+]1)C1CC1 87725909 574021903 /nfs/dbraw/zinc/02/19/03/574021903.db2.gz XZBZCXRKYXCKKB-SSDOTTSWSA-N 0 0 177.251 1.874 10 0 ADAERN CC[C@H](C)CC(=O)N1CC(CF)C1 585390524 574021908 /nfs/dbraw/zinc/02/19/08/574021908.db2.gz XVTIRFXUBRMEOZ-QMMMGPOBSA-N 0 0 187.258 1.851 10 0 ADAERN CO[C@H](C)C[C@@H](O)CC(C)C 128154306 574021920 /nfs/dbraw/zinc/02/19/20/574021920.db2.gz DTTKIIVLNLUVKM-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN CC[C@@H](C)N(C)c1cccc(N)[nH+]1 87726956 574021922 /nfs/dbraw/zinc/02/19/22/574021922.db2.gz FHQYDXMAIJESBH-MRVPVSSYSA-N 0 0 179.267 1.899 10 0 ADAERN CC[C@@H](C)Oc1cncc(N)n1 87725330 574021935 /nfs/dbraw/zinc/02/19/35/574021935.db2.gz ADPFPQOJUMNRSH-ZCFIWIBFSA-N 0 0 167.212 1.236 10 0 ADAERN c1cc2c(c(C[NH2+]C3CC3)c1)NCC2 87723660 574021939 /nfs/dbraw/zinc/02/19/39/574021939.db2.gz KSMHTGVXGFLUPM-UHFFFAOYSA-N 0 0 188.274 1.907 10 0 ADAERN CCC(CC)C(=O)N1CC(CF)C1 585390440 574021942 /nfs/dbraw/zinc/02/19/42/574021942.db2.gz UKVXEWDTMXIMMV-UHFFFAOYSA-N 0 0 187.258 1.851 10 0 ADAERN CC[C@H](C)N(C)c1cccc(N)[nH+]1 87726959 574021957 /nfs/dbraw/zinc/02/19/57/574021957.db2.gz FHQYDXMAIJESBH-QMMMGPOBSA-N 0 0 179.267 1.899 10 0 ADAERN Cc1cc(CO)cnc1N(C)C(C)C 87718282 574021964 /nfs/dbraw/zinc/02/19/64/574021964.db2.gz UXQLRMDQWNITCC-UHFFFAOYSA-N 0 0 194.278 1.727 10 0 ADAERN O[C@H]1CCCN(c2cccc(F)c2)C1 259278481 574021968 /nfs/dbraw/zinc/02/19/68/574021968.db2.gz KHGLOSXZGLBNHR-NSHDSACASA-N 0 0 195.237 1.787 10 0 ADAERN NNCc1sccc1Cl 87720980 574021980 /nfs/dbraw/zinc/02/19/80/574021980.db2.gz DUHYTJGMFGGCDQ-UHFFFAOYSA-N 0 0 162.645 1.365 10 0 ADAERN C[C@@H]1CN(c2cccc(N)[nH+]2)C[C@H]1C 87731548 574021986 /nfs/dbraw/zinc/02/19/86/574021986.db2.gz BZTPSNLWAJCRGI-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN CCCNc1cccc(N)[nH+]1 87725733 574021991 /nfs/dbraw/zinc/02/19/91/574021991.db2.gz ATWAVZWKOXYYSG-UHFFFAOYSA-N 0 0 151.213 1.486 10 0 ADAERN N#CNC(=O)c1sccc1Cl 87721526 574022010 /nfs/dbraw/zinc/02/20/10/574022010.db2.gz YLWSPIBBFZRESY-UHFFFAOYSA-N 0 0 186.623 1.612 10 0 ADAERN Nc1cncc(Nc2ccccc2)n1 87724572 574022020 /nfs/dbraw/zinc/02/20/20/574022020.db2.gz QLMJPOYKSAZGQL-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN CO[C@H](C)C[C@H](O)CC(C)C 128154513 574022026 /nfs/dbraw/zinc/02/20/26/574022026.db2.gz DTTKIIVLNLUVKM-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN Nc1cccc(NCC(F)(F)F)[nH+]1 87725785 574022027 /nfs/dbraw/zinc/02/20/27/574022027.db2.gz SEJWEAHGKWXFOF-UHFFFAOYSA-N 0 0 191.156 1.638 10 0 ADAERN CC1(Nc2cncc(N)n2)CCCC1 87724277 574022047 /nfs/dbraw/zinc/02/20/47/574022047.db2.gz YLMTURUCMYTLQG-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN CNc1ccc2c(c1)C(=O)CC2 104511890 574022074 /nfs/dbraw/zinc/02/20/74/574022074.db2.gz XNTILGYVDLGZCN-UHFFFAOYSA-N 0 0 161.204 1.857 10 0 ADAERN COc1c(N)ccc2c(C)noc12 259278131 574022076 /nfs/dbraw/zinc/02/20/76/574022076.db2.gz CDUDRXZRTRTZNM-UHFFFAOYSA-N 0 0 178.191 1.727 10 0 ADAERN CCOC(=O)[C@](C)(NC)C1CCC1 393605041 574022080 /nfs/dbraw/zinc/02/20/80/574022080.db2.gz YGWSKBBROFEZFM-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)CN(C)c1cccc(N)[nH+]1 87726960 574022082 /nfs/dbraw/zinc/02/20/82/574022082.db2.gz DSHLEBRYCMNOOL-UHFFFAOYSA-N 0 0 179.267 1.756 10 0 ADAERN O=Cc1ccc(SC2COC2)nc1 87719790 574022110 /nfs/dbraw/zinc/02/21/10/574022110.db2.gz MHDMBPLGPIZRNH-UHFFFAOYSA-N 0 0 195.243 1.385 10 0 ADAERN O=C(CC1CC1)N1CC(CF)C1 585390159 574022117 /nfs/dbraw/zinc/02/21/17/574022117.db2.gz GFXIEAMMEIRTHA-UHFFFAOYSA-N 0 0 171.215 1.214 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cccc(N)[nH+]1 87726315 574022142 /nfs/dbraw/zinc/02/21/42/574022142.db2.gz XBETYZBICVNNPA-BQBZGAKWSA-N 0 0 163.224 1.484 10 0 ADAERN CC(C)CSc1cncc(N)n1 87725592 574022148 /nfs/dbraw/zinc/02/21/48/574022148.db2.gz RTNRZJFPCGLGKG-UHFFFAOYSA-N 0 0 183.280 1.807 10 0 ADAERN C[C@H](O)COc1ccc2[nH]ccc2c1 87723378 574022209 /nfs/dbraw/zinc/02/22/09/574022209.db2.gz GPHHZJBYLMEDNU-QMMMGPOBSA-N 0 0 191.230 1.928 10 0 ADAERN CC[C@@H](C)N(C)c1cncc(N)n1 87724746 574022213 /nfs/dbraw/zinc/02/22/13/574022213.db2.gz XTNROGRREUBRRY-SSDOTTSWSA-N 0 0 180.255 1.294 10 0 ADAERN [NH3+][C@@H]1CCOc2c([S-])cccc21 104513646 574022226 /nfs/dbraw/zinc/02/22/26/574022226.db2.gz UPHTWGBIHDBQGR-SSDOTTSWSA-N 0 0 181.260 1.758 10 0 ADAERN OCc1ccc(SC2COC2)nc1 87720522 574022250 /nfs/dbraw/zinc/02/22/50/574022250.db2.gz YNSHKLWPWQGBAB-UHFFFAOYSA-N 0 0 197.259 1.065 10 0 ADAERN O=C1CCCC[C@@]12NCCS2 104512729 574022251 /nfs/dbraw/zinc/02/22/51/574022251.db2.gz MJLGGQVWFZGAQW-QMMMGPOBSA-N 0 0 171.265 1.162 10 0 ADAERN CCCN(C)c1ncc(CO)cc1C 87718313 574022256 /nfs/dbraw/zinc/02/22/56/574022256.db2.gz RSELSKNAJRVSPT-UHFFFAOYSA-N 0 0 194.278 1.729 10 0 ADAERN Cc1nc(N)nc([C@@H]2CCCS2)n1 87717175 574022265 /nfs/dbraw/zinc/02/22/65/574022265.db2.gz LAWZYFBPGWPZLB-LURJTMIESA-N 0 0 196.279 1.330 10 0 ADAERN Cc1ccc(-c2cc(N)no2)cc1N 259278225 574022269 /nfs/dbraw/zinc/02/22/69/574022269.db2.gz CGCOCMFUDSJMGX-UHFFFAOYSA-N 0 0 189.218 1.814 10 0 ADAERN Nc1cccc(NC[C@@H]2CCCO2)[nH+]1 87725830 574022290 /nfs/dbraw/zinc/02/22/90/574022290.db2.gz USCDEJUVSPLJSD-QMMMGPOBSA-N 0 0 193.250 1.255 10 0 ADAERN Cc1cc(CO)cnc1N(C)C1CC1 87718302 574022311 /nfs/dbraw/zinc/02/23/11/574022311.db2.gz CENGOHQHQTTYNC-UHFFFAOYSA-N 0 0 192.262 1.481 10 0 ADAERN CC(C)Sc1cncc(N)n1 87725626 574022350 /nfs/dbraw/zinc/02/23/50/574022350.db2.gz VYTNLKCRTLCKIP-UHFFFAOYSA-N 0 0 169.253 1.559 10 0 ADAERN C[NH2+][C@H](CO)c1ccc2occc2c1 104516684 574022360 /nfs/dbraw/zinc/02/23/60/574022360.db2.gz DTFGTRYQSNNPOD-SNVBAGLBSA-N 0 0 191.230 1.686 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1cccc(N)[nH+]1 87731472 574022361 /nfs/dbraw/zinc/02/23/61/574022361.db2.gz BZCFAAMKKSNDMB-BDAKNGLRSA-N 0 0 191.278 1.756 10 0 ADAERN CC[C@H](C)NC(=O)N1CC(CF)C1 585390433 574022363 /nfs/dbraw/zinc/02/23/63/574022363.db2.gz SYUZVKFTYPRKDT-ZETCQYMHSA-N 0 0 188.246 1.396 10 0 ADAERN [NH3+][C@@H]1CCc2cc(F)c(C(=O)[O-])cc21 104514336 574022376 /nfs/dbraw/zinc/02/23/76/574022376.db2.gz WTMWGWDIEAECMP-SECBINFHSA-N 0 0 195.193 1.470 10 0 ADAERN Nc1cncc(OCC2CCCC2)n1 87725464 574022380 /nfs/dbraw/zinc/02/23/80/574022380.db2.gz DJFNXYCXTIICSF-UHFFFAOYSA-N 0 0 193.250 1.628 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1cncc(N)n1 87724289 574022402 /nfs/dbraw/zinc/02/24/02/574022402.db2.gz IPBGTPICHFGRAO-YUMQZZPRSA-N 0 0 194.282 1.905 10 0 ADAERN Nc1ncnc([C@H]2CCCCS2)n1 87717181 574022408 /nfs/dbraw/zinc/02/24/08/574022408.db2.gz ROVJGULKZQMUAI-ZCFIWIBFSA-N 0 0 196.279 1.412 10 0 ADAERN CN(c1cccc(N)[nH+]1)C1CC1 87726951 574022428 /nfs/dbraw/zinc/02/24/28/574022428.db2.gz XMNLLVAJAQVELI-UHFFFAOYSA-N 0 0 163.224 1.262 10 0 ADAERN C[N@@H+]1CCC(C)(C)[C@H](C(=O)[O-])C1 259278094 574022449 /nfs/dbraw/zinc/02/24/49/574022449.db2.gz OESVRMGJWBLQIU-ZETCQYMHSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1cncc(N)n1 87725072 574022468 /nfs/dbraw/zinc/02/24/68/574022468.db2.gz YQRUPKWYCURYGN-SFYZADRCSA-N 0 0 192.266 1.151 10 0 ADAERN Nc1cncc(NCC(F)(F)F)n1 87724151 574022480 /nfs/dbraw/zinc/02/24/80/574022480.db2.gz MULRUMIFQONUOV-UHFFFAOYSA-N 0 0 192.144 1.033 10 0 ADAERN Nc1cncc(Nc2cccnc2)n1 87724581 574022506 /nfs/dbraw/zinc/02/25/06/574022506.db2.gz WHEKYGIMHBMAIX-UHFFFAOYSA-N 0 0 187.206 1.197 10 0 ADAERN Cc1cc(O)c(C)c(C)c1CCON 259277903 574022507 /nfs/dbraw/zinc/02/25/07/574022507.db2.gz BHALLELMACQROY-UHFFFAOYSA-N 0 0 195.262 1.750 10 0 ADAERN CN(c1cncc(N)n1)C1CCCC1 87724738 574022510 /nfs/dbraw/zinc/02/25/10/574022510.db2.gz KLECSFLIVLUFRH-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN O=C1CCc2cc(F)c([O-])c(F)c21 104514454 574022531 /nfs/dbraw/zinc/02/25/31/574022531.db2.gz NGCRAKMRUCUPLM-UHFFFAOYSA-N 0 0 184.141 1.799 10 0 ADAERN CC(C)(C)Nc1cccc(N)[nH+]1 87726741 574022539 /nfs/dbraw/zinc/02/25/39/574022539.db2.gz XEGCMOTUFPDJFS-UHFFFAOYSA-N 0 0 165.240 1.874 10 0 ADAERN CC(C)(C)Nc1cncc(N)n1 87724577 574022553 /nfs/dbraw/zinc/02/25/53/574022553.db2.gz MFVFFJHNXCPNLE-UHFFFAOYSA-N 0 0 166.228 1.269 10 0 ADAERN CN(CC1CC1)c1cccc(N)[nH+]1 87727073 574022564 /nfs/dbraw/zinc/02/25/64/574022564.db2.gz CTIGIJZDJHINLQ-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN Nc1cc(F)c2c(c1)C(=O)CC2 104515255 574022575 /nfs/dbraw/zinc/02/25/75/574022575.db2.gz XLXAVHNFUZGBOQ-UHFFFAOYSA-N 0 0 165.167 1.537 10 0 ADAERN CC(C)Nc1cccc(N)[nH+]1 87725735 574022583 /nfs/dbraw/zinc/02/25/83/574022583.db2.gz AIKKEQMMUJBCNY-UHFFFAOYSA-N 0 0 151.213 1.484 10 0 ADAERN CC(C)[C@@H](C)Oc1cncc(N)n1 87725472 574022639 /nfs/dbraw/zinc/02/26/39/574022639.db2.gz WFHYPNNQHCGIAB-SSDOTTSWSA-N 0 0 181.239 1.482 10 0 ADAERN CC[C@](C)(O)CNc1cccc(N)[nH+]1 87726497 574022642 /nfs/dbraw/zinc/02/26/42/574022642.db2.gz OJOLWHJDWQOWTL-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN C=CC(=O)NCCc1ccsc1 49164595 574022677 /nfs/dbraw/zinc/02/26/77/574022677.db2.gz XHBVFXMQFLBVEH-UHFFFAOYSA-N 0 0 181.260 1.593 10 0 ADAERN COc1ccc(O)c(F)c1C=O 104511991 574022688 /nfs/dbraw/zinc/02/26/88/574022688.db2.gz XHEFFJOVSKZULK-UHFFFAOYSA-N 0 0 170.139 1.352 10 0 ADAERN Nc1cccc(NCCC2CC2)[nH+]1 87726618 574022712 /nfs/dbraw/zinc/02/27/12/574022712.db2.gz BKHKGJQIKKBFBI-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN CC(C)C[C@H](C)Nc1cncc(N)n1 87724175 574022721 /nfs/dbraw/zinc/02/27/21/574022721.db2.gz RXCKYLJIHQYRMW-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@]1(C2CCC2)CNC(=O)OC1 258524312 574022732 /nfs/dbraw/zinc/02/27/32/574022732.db2.gz MSBGPXYXZSLYCL-VIFPVBQESA-N 0 0 169.224 1.533 10 0 ADAERN Cc1ccccc1C(=O)CON 258524314 574022741 /nfs/dbraw/zinc/02/27/41/574022741.db2.gz MSFKHNHDYJYYKL-UHFFFAOYSA-N 0 0 165.192 1.068 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1cccc(N)[nH+]1 87731469 574022745 /nfs/dbraw/zinc/02/27/45/574022745.db2.gz BZCFAAMKKSNDMB-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN Cn1nc([C@@H]2CCCO2)cc1C=O 259277100 574022771 /nfs/dbraw/zinc/02/27/71/574022771.db2.gz PJHAHOKMWMPMMU-VIFPVBQESA-N 0 0 180.207 1.084 10 0 ADAERN COC[C@H](C)Nc1cccc(N)[nH+]1 87725764 574022785 /nfs/dbraw/zinc/02/27/85/574022785.db2.gz NJGNUQFMXOGQIM-ZETCQYMHSA-N 0 0 181.239 1.111 10 0 ADAERN CO[C@@H](C)C[C@@H](O)CC1CC1 128144455 574022788 /nfs/dbraw/zinc/02/27/88/574022788.db2.gz LMJSNDPYULOSFS-IONNQARKSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@@H](C)CC(=O)N1CC(CF)C1 585390523 574022795 /nfs/dbraw/zinc/02/27/95/574022795.db2.gz XVTIRFXUBRMEOZ-MRVPVSSYSA-N 0 0 187.258 1.851 10 0 ADAERN C[C@@H]1CCCN1c1cccc(N)[nH+]1 87727070 574022817 /nfs/dbraw/zinc/02/28/17/574022817.db2.gz NKDRBDBWQNSQMX-MRVPVSSYSA-N 0 0 177.251 1.653 10 0 ADAERN CC1(C)CCCN1c1cncc(N)n1 87725029 574022823 /nfs/dbraw/zinc/02/28/23/574022823.db2.gz FZPKHNIZUOGOPF-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN CO[C@H](C)C[C@@H](O)CC1CC1 128144676 574022826 /nfs/dbraw/zinc/02/28/26/574022826.db2.gz LMJSNDPYULOSFS-VXNVDRBHSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H](CC1CC1)Nc1cncc(N)n1 87724427 574022831 /nfs/dbraw/zinc/02/28/31/574022831.db2.gz JNVHROUGPURKKS-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN CC[C@@H]1CCCN1c1cncc(N)n1 87724804 574022836 /nfs/dbraw/zinc/02/28/36/574022836.db2.gz SZIJTZHCXRYRMI-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN CCN(c1cccc(N)[nH+]1)C1CC1 87726942 574022839 /nfs/dbraw/zinc/02/28/39/574022839.db2.gz IWMXECZTVCLOQN-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN CO[C@@H](C)C[C@@H](O)Cc1ccccn1 128146194 574022848 /nfs/dbraw/zinc/02/28/48/574022848.db2.gz CYXFFVJPPFGQFT-GXSJLCMTSA-N 0 0 195.262 1.410 10 0 ADAERN CC[C@H](C)Sc1cncc(N)n1 87725538 574022872 /nfs/dbraw/zinc/02/28/72/574022872.db2.gz KMXWYWGSLRLBKA-LURJTMIESA-N 0 0 183.280 1.949 10 0 ADAERN Nc1cccc(NCc2ccco2)[nH+]1 87725738 574022875 /nfs/dbraw/zinc/02/28/75/574022875.db2.gz NOLYGPADRYBEEX-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cccc(N)[nH+]1 87726313 574022884 /nfs/dbraw/zinc/02/28/84/574022884.db2.gz XBETYZBICVNNPA-RQJHMYQMSA-N 0 0 163.224 1.484 10 0 ADAERN CC(C)N(C)c1cccc(N)[nH+]1 87726805 574022917 /nfs/dbraw/zinc/02/29/17/574022917.db2.gz MTZGEWWRUYMYRA-UHFFFAOYSA-N 0 0 165.240 1.508 10 0 ADAERN CCSc1ncc(CO)cc1C 87720336 574022926 /nfs/dbraw/zinc/02/29/26/574022926.db2.gz AOCVVRACBCPIBI-UHFFFAOYSA-N 0 0 183.276 1.994 10 0 ADAERN O=C1CCc2c(F)ccc(CO)c21 104511066 574022932 /nfs/dbraw/zinc/02/29/32/574022932.db2.gz WCULTTUCSKDTCV-UHFFFAOYSA-N 0 0 180.178 1.447 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cccc(N)[nH+]1 87726317 574022941 /nfs/dbraw/zinc/02/29/41/574022941.db2.gz XBETYZBICVNNPA-RNFRBKRXSA-N 0 0 163.224 1.484 10 0 ADAERN Nc1cncc(Nc2ccsc2)n1 87725110 574022950 /nfs/dbraw/zinc/02/29/50/574022950.db2.gz RYMYFBAOGIAQPF-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN CCCCN(CCO)c1ccccn1 49011833 574022956 /nfs/dbraw/zinc/02/29/56/574022956.db2.gz MVSMMZZSKMSESO-UHFFFAOYSA-N 0 0 194.278 1.680 10 0 ADAERN C[C@H](C1CC1)N(C)c1cncc(N)n1 87724784 574022981 /nfs/dbraw/zinc/02/29/81/574022981.db2.gz RZBREXKVYIQGOB-SSDOTTSWSA-N 0 0 192.266 1.294 10 0 ADAERN CC[C@@H](C)Sc1cncc(N)n1 87725536 574022991 /nfs/dbraw/zinc/02/29/91/574022991.db2.gz KMXWYWGSLRLBKA-ZCFIWIBFSA-N 0 0 183.280 1.949 10 0 ADAERN CC[C@H]1CCCN1c1cncc(N)n1 87724806 574022201 /nfs/dbraw/zinc/02/22/01/574022201.db2.gz SZIJTZHCXRYRMI-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN CC(C)C[C@H](C)Nc1cnc(N)cn1 87732326 574024890 /nfs/dbraw/zinc/02/48/90/574024890.db2.gz CZYDIXBSCQGRED-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN CC[C@@H]([NH3+])c1cccc(F)n1 104520724 574024893 /nfs/dbraw/zinc/02/48/93/574024893.db2.gz XUYFMMQPJMBCMW-ZCFIWIBFSA-N 0 0 154.188 1.631 10 0 ADAERN C[C@H]1CN(c2cnc(N)cn2)C[C@@H]1C 87734051 574024904 /nfs/dbraw/zinc/02/49/04/574024904.db2.gz WRVHZZMYHYSZBL-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN C[C@H]1C[C@@H]1c1cc(N)no1 85278484 574024905 /nfs/dbraw/zinc/02/49/05/574024905.db2.gz PQRYAOICUYAZAP-WHFBIAKZSA-N 0 0 138.170 1.380 10 0 ADAERN CC[C@@H](C)Nc1cnc(N)cn1 87732181 574024913 /nfs/dbraw/zinc/02/49/13/574024913.db2.gz JIKKTRMYKIDMSP-ZCFIWIBFSA-N 0 0 166.228 1.269 10 0 ADAERN Nc1cnc(OCc2ccco2)cn1 87734145 574024924 /nfs/dbraw/zinc/02/49/24/574024924.db2.gz UHROSBMSXUQAMQ-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN CC[C@@H]1CCCN1c1cnc(N)cn1 87733527 574025619 /nfs/dbraw/zinc/02/56/19/574025619.db2.gz BYOWGIXTOJTBBB-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN CCSCC[C@]1(CO)CCOC1 131819174 574024940 /nfs/dbraw/zinc/02/49/40/574024940.db2.gz HOKQSNWCTSPTII-VIFPVBQESA-N 0 0 190.308 1.529 10 0 ADAERN CCCCOCCN1CCC(=O)CC1 49262318 574024941 /nfs/dbraw/zinc/02/49/41/574024941.db2.gz WFMVVYGGWLQXMZ-UHFFFAOYSA-N 0 0 199.294 1.468 10 0 ADAERN Nc1cnc(Nc2cccnc2)cn1 87733213 574024943 /nfs/dbraw/zinc/02/49/43/574024943.db2.gz PZLDINXGGSLVSF-UHFFFAOYSA-N 0 0 187.206 1.197 10 0 ADAERN C[C@H](C1CC1)N(C)c1cnc(N)cn1 87733482 574024951 /nfs/dbraw/zinc/02/49/51/574024951.db2.gz VCFVQDLPSSBVAR-SSDOTTSWSA-N 0 0 192.266 1.294 10 0 ADAERN Cc1c(N)noc1CCc1ccco1 85278324 574024959 /nfs/dbraw/zinc/02/49/59/574024959.db2.gz SJQFODBFRKPLJP-UHFFFAOYSA-N 0 0 192.218 1.943 10 0 ADAERN Nc1cccc(Oc2cccnc2)n1 87731735 574024967 /nfs/dbraw/zinc/02/49/67/574024967.db2.gz VZBMYOPZIQPMCM-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN CC(C)(C)OC(=O)N[C@@H]1[C@@H]2C=CO[C@@H]21 104519581 574024972 /nfs/dbraw/zinc/02/49/72/574024972.db2.gz PVJZZWFDUFEBSE-RNJXMRFFSA-N 0 0 197.234 1.422 10 0 ADAERN Nc1ccc(O)cc1C1CCOCC1 259280239 574024985 /nfs/dbraw/zinc/02/49/85/574024985.db2.gz AKMCBRWKHXMFDQ-UHFFFAOYSA-N 0 0 193.246 1.868 10 0 ADAERN CN(CC1CCC1)c1cnc(N)cn1 87733864 574024987 /nfs/dbraw/zinc/02/49/87/574024987.db2.gz XPKGRLYIRWWMOQ-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN C[C@H](Nc1cnc(N)cn1)C1CC1 87732357 574024991 /nfs/dbraw/zinc/02/49/91/574024991.db2.gz VOCOWFOTIKCBOK-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN CC[C@@H](C)[C@H](C)Nc1cnc(N)cn1 87732560 574024995 /nfs/dbraw/zinc/02/49/95/574024995.db2.gz GLYGCPOLZREYMW-SFYZADRCSA-N 0 0 194.282 1.905 10 0 ADAERN CCCSc1cnc(N)cn1 87734504 574024998 /nfs/dbraw/zinc/02/49/98/574024998.db2.gz BWVSCWKGLKBMLI-UHFFFAOYSA-N 0 0 169.253 1.561 10 0 ADAERN Nc1cc(CC[C@H]2CCCCO2)on1 85278471 574025004 /nfs/dbraw/zinc/02/50/04/574025004.db2.gz BFZQNTSKMXXSLA-MRVPVSSYSA-N 0 0 196.250 1.759 10 0 ADAERN C[NH2+][C@H](C)c1cc(O)cc(O)c1 104523113 574025010 /nfs/dbraw/zinc/02/50/10/574025010.db2.gz NADUNMRSIZBZKU-ZCFIWIBFSA-N 0 0 167.208 1.378 10 0 ADAERN Cc1c(N)noc1[C@H]1C[C@@H]1C 85278168 574025020 /nfs/dbraw/zinc/02/50/20/574025020.db2.gz CVRXMYXMATZCOP-NJGYIYPDSA-N 0 0 152.197 1.689 10 0 ADAERN CC[C@@H](C)N(C)c1cnc(N)cn1 87733420 574025040 /nfs/dbraw/zinc/02/50/40/574025040.db2.gz KTRKXMQRPDIVCF-SSDOTTSWSA-N 0 0 180.255 1.294 10 0 ADAERN Cc1nc([C@H]([NH3+])C2CC2)ccc1F 104523636 574025048 /nfs/dbraw/zinc/02/50/48/574025048.db2.gz WXUMSHPENCWNOB-SNVBAGLBSA-N 0 0 180.226 1.939 10 0 ADAERN CC[C@@H](C)CNc1cnc(N)cn1 87732747 574025053 /nfs/dbraw/zinc/02/50/53/574025053.db2.gz BFYBWANQZZBGRR-SSDOTTSWSA-N 0 0 180.255 1.517 10 0 ADAERN CC[C@@H](C)n1cc(C=O)nn1 85272154 574025054 /nfs/dbraw/zinc/02/50/54/574025054.db2.gz DQKLSSRZDUZDDU-ZCFIWIBFSA-N 0 0 153.185 1.062 10 0 ADAERN C[NH2+][C@H](CO)c1cccc(F)c1C 104524118 574025065 /nfs/dbraw/zinc/02/50/65/574025065.db2.gz RMTZIFKZGXSLGO-SNVBAGLBSA-N 0 0 183.226 1.387 10 0 ADAERN CC(C)COc1cccc(N)n1 87731646 574025071 /nfs/dbraw/zinc/02/50/71/574025071.db2.gz IYIKCCZOQNKNQP-UHFFFAOYSA-N 0 0 166.224 1.699 10 0 ADAERN C[C@@H]([NH3+])c1cccn1-c1ccccn1 104523782 574025072 /nfs/dbraw/zinc/02/50/72/574025072.db2.gz UGLZMCHFYNYWAP-SECBINFHSA-N 0 0 187.246 1.892 10 0 ADAERN CCC[C@H](C)Nc1cnc(N)cn1 87732214 574025075 /nfs/dbraw/zinc/02/50/75/574025075.db2.gz MUMDORCZCRGTGN-ZETCQYMHSA-N 0 0 180.255 1.659 10 0 ADAERN Cc1ncn(-c2cccc(N)n2)c1C 87731946 574025088 /nfs/dbraw/zinc/02/50/88/574025088.db2.gz NPFURCIKMLJTOD-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Nc1cnc(N[C@H]2CC=CCC2)cn1 87733088 574025095 /nfs/dbraw/zinc/02/50/95/574025095.db2.gz SYCPHUXRSCPJTB-QMMMGPOBSA-N 0 0 190.250 1.579 10 0 ADAERN C[C@@H]1C[C@H]1c1cc(N)no1 85278486 574025101 /nfs/dbraw/zinc/02/51/01/574025101.db2.gz PQRYAOICUYAZAP-RFZPGFLSSA-N 0 0 138.170 1.380 10 0 ADAERN Cc1nc([C@@H](C)[NH3+])ccc1F 104520697 574025102 /nfs/dbraw/zinc/02/51/02/574025102.db2.gz WTOBWOPLMOIGLW-RXMQYKEDSA-N 0 0 154.188 1.549 10 0 ADAERN C[C@H](CC1CC1)Nc1cnc(N)cn1 87732841 574025626 /nfs/dbraw/zinc/02/56/26/574025626.db2.gz VKDAEMUOSHSTEB-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN [NH3+][C@@H](c1ccc(C(=O)[O-])o1)C1CC1 104519015 574025168 /nfs/dbraw/zinc/02/51/68/574025168.db2.gz IVLLCEVDBRHTRA-MRVPVSSYSA-N 0 0 181.191 1.388 10 0 ADAERN Cc1ccoc1-c1cc(N)no1 85278494 574025171 /nfs/dbraw/zinc/02/51/71/574025171.db2.gz CNKLQSWVKKNEJC-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C[C@]1(c2nsc(N)n2)CCCCO1 87761297 574025173 /nfs/dbraw/zinc/02/51/73/574025173.db2.gz PDLLWQQNAGVPER-MRVPVSSYSA-N 0 0 199.279 1.536 10 0 ADAERN CCN[C@@H](C1CC1)C(F)(F)F 85277276 574025188 /nfs/dbraw/zinc/02/51/88/574025188.db2.gz XTPCTBWQVHCMAT-LURJTMIESA-N 0 0 167.174 1.937 10 0 ADAERN CCN(c1cnc(N)cn1)C1CC1 87733404 574025192 /nfs/dbraw/zinc/02/51/92/574025192.db2.gz BMUGDGBVIATJEI-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN CN[C@@H]([C@H]1CCCOC1)C(F)(F)F 85276558 574025216 /nfs/dbraw/zinc/02/52/16/574025216.db2.gz QNMYPBCIAREFIN-BQBZGAKWSA-N 0 0 197.200 1.563 10 0 ADAERN N[C@H](c1ncccc1F)C(F)(F)F 104522460 574025217 /nfs/dbraw/zinc/02/52/17/574025217.db2.gz WPMSDSJOKJHZEN-ZCFIWIBFSA-N 0 0 194.131 1.783 10 0 ADAERN CCC(C)(C)Nc1cnc(N)cn1 87733194 574025224 /nfs/dbraw/zinc/02/52/24/574025224.db2.gz IJULKWAMSLATKW-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN CN[C@]1(C(F)(F)F)CCCOC1 85276686 574025232 /nfs/dbraw/zinc/02/52/32/574025232.db2.gz UBXNIXCAOZVMTB-ZCFIWIBFSA-N 0 0 183.173 1.317 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1cnc(N)cn1 87732846 574025233 /nfs/dbraw/zinc/02/52/33/574025233.db2.gz UYTCIQCMUJLIPD-YUMQZZPRSA-N 0 0 192.266 1.659 10 0 ADAERN O=Cc1cn(Cc2cccs2)nn1 85272165 574025236 /nfs/dbraw/zinc/02/52/36/574025236.db2.gz DBPQDUWOPSCGCN-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(C(=O)[O-])nc1 104522355 574025247 /nfs/dbraw/zinc/02/52/47/574025247.db2.gz FTAVPAGPMNVRDF-SSDOTTSWSA-N 0 0 180.207 1.190 10 0 ADAERN [NH3+][C@@H](c1ccncc1C(=O)[O-])C1CC1 104517895 574025251 /nfs/dbraw/zinc/02/52/51/574025251.db2.gz MPLLGKFKMUROHN-SECBINFHSA-N 0 0 192.218 1.190 10 0 ADAERN C[C@H]1C(=O)Nc2cccc(N)c2N1C 259279999 574025253 /nfs/dbraw/zinc/02/52/53/574025253.db2.gz PLDOVNVOIJBDJC-LURJTMIESA-N 0 0 191.234 1.046 10 0 ADAERN CCCSc1c[nH]cn1 104522195 574025254 /nfs/dbraw/zinc/02/52/54/574025254.db2.gz XDLKRMOTQDBBEX-UHFFFAOYSA-N 0 0 142.227 1.912 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cccc(CO)n1 104523038 574025257 /nfs/dbraw/zinc/02/52/57/574025257.db2.gz GPHXKAREWIPAGQ-SNVBAGLBSA-N 0 0 180.251 1.230 10 0 ADAERN C[C@H](Cn1ccnc1)NCC(F)F 49235079 574025261 /nfs/dbraw/zinc/02/52/61/574025261.db2.gz HHMAFPTTWNFNIM-SSDOTTSWSA-N 0 0 189.209 1.126 10 0 ADAERN S=c1cnc(Br)c[nH]1 104520429 574025265 /nfs/dbraw/zinc/02/52/65/574025265.db2.gz UAOQQYXZEDSMJM-UHFFFAOYSA-N 0 0 191.053 1.528 10 0 ADAERN C[C@@H]1C[C@@H]1c1cc(N)no1 85278482 574025267 /nfs/dbraw/zinc/02/52/67/574025267.db2.gz PQRYAOICUYAZAP-UHNVWZDZSA-N 0 0 138.170 1.380 10 0 ADAERN COc1ncccc1-c1cc(N)no1 85278458 574025271 /nfs/dbraw/zinc/02/52/71/574025271.db2.gz JYSSCUDZXLSNQZ-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN CCC(CC)Nc1cnc(N)cn1 87732191 574025273 /nfs/dbraw/zinc/02/52/73/574025273.db2.gz OCVDRBRMEQFRNI-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN Nc1cnc(OCC2CCCC2)cn1 87734431 574025284 /nfs/dbraw/zinc/02/52/84/574025284.db2.gz IUFXXYZUQYYOJS-UHFFFAOYSA-N 0 0 193.250 1.628 10 0 ADAERN Nc1cnc(Nc2ccccc2)cn1 87733192 574025289 /nfs/dbraw/zinc/02/52/89/574025289.db2.gz ZFDVWUOMWPKAFV-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN CC(C)(C)Nc1cnc(N)cn1 87733198 574025294 /nfs/dbraw/zinc/02/52/94/574025294.db2.gz YJWQMDRLLYFLJT-UHFFFAOYSA-N 0 0 166.228 1.269 10 0 ADAERN C[C@@H](C1CC1)N(C)c1cnc(N)cn1 87733481 574025298 /nfs/dbraw/zinc/02/52/98/574025298.db2.gz VCFVQDLPSSBVAR-ZETCQYMHSA-N 0 0 192.266 1.294 10 0 ADAERN [NH3+][C@@H](c1cccc(F)n1)C1CC1 104524035 574025300 /nfs/dbraw/zinc/02/53/00/574025300.db2.gz LBCZCZXODDPNRU-SECBINFHSA-N 0 0 166.199 1.631 10 0 ADAERN CCN[C@@](C)(CCOC)C(F)(F)F 85277433 574025301 /nfs/dbraw/zinc/02/53/01/574025301.db2.gz XWDYHHJESBVSMG-ZETCQYMHSA-N 0 0 199.216 1.953 10 0 ADAERN CCC(C)(C)c1cc(N)no1 85278560 574025304 /nfs/dbraw/zinc/02/53/04/574025304.db2.gz AJZPKCNMAULNPR-UHFFFAOYSA-N 0 0 154.213 1.944 10 0 ADAERN CC[C@H]1CCCN1c1cnc(N)cn1 87733529 574025305 /nfs/dbraw/zinc/02/53/05/574025305.db2.gz BYOWGIXTOJTBBB-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN C[NH2+][C@H](CO)c1ccc(Cl)o1 104523191 574025312 /nfs/dbraw/zinc/02/53/12/574025312.db2.gz WTMHGYZJWPXADM-RXMQYKEDSA-N 0 0 175.615 1.186 10 0 ADAERN C[C@@]1(c2nccc(=O)[nH]2)CCCCO1 87761311 574025332 /nfs/dbraw/zinc/02/53/32/574025332.db2.gz ZITWFHKSJQPZCB-JTQLQIEISA-N 0 0 194.234 1.186 10 0 ADAERN CCN(CC1CC1)c1cnc(N)cn1 87733996 574025339 /nfs/dbraw/zinc/02/53/39/574025339.db2.gz SWTJLIQWKABGOT-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@@H]([NH3+])c1cncc(C(=O)[O-])c1 104522360 574025342 /nfs/dbraw/zinc/02/53/42/574025342.db2.gz KTGOGEBNTRDQPN-MRVPVSSYSA-N 0 0 180.207 1.190 10 0 ADAERN C[C@@]1(C(=O)[C@H]2CCOC2)CCCCO1 87761496 574025343 /nfs/dbraw/zinc/02/53/43/574025343.db2.gz UEUCKQKNFQTXKB-ONGXEEELSA-N 0 0 198.262 1.551 10 0 ADAERN Cc1c(N)noc1C1CCC1 85278156 574025344 /nfs/dbraw/zinc/02/53/44/574025344.db2.gz NRZQVXGGFDOBLU-UHFFFAOYSA-N 0 0 152.197 1.833 10 0 ADAERN Cc1cc(N)nc(COC(C)(C)C)n1 87735483 574025351 /nfs/dbraw/zinc/02/53/51/574025351.db2.gz KPFVHUJHPUWPNR-UHFFFAOYSA-N 0 0 195.266 1.682 10 0 ADAERN Nc1cccc(OCc2ccco2)n1 87731631 574025360 /nfs/dbraw/zinc/02/53/60/574025360.db2.gz YXWMIWGWOMYDSY-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN C/C=C/COc1cccc(N)n1 87731813 574025377 /nfs/dbraw/zinc/02/53/77/574025377.db2.gz JZZLQSRYHAFULB-NSCUHMNNSA-N 0 0 164.208 1.619 10 0 ADAERN CC(C)CCNc1cnc(N)cn1 87732231 574025396 /nfs/dbraw/zinc/02/53/96/574025396.db2.gz ULBOVNFKBBDIDH-UHFFFAOYSA-N 0 0 180.255 1.517 10 0 ADAERN CCN[C@]1(C(F)(F)F)CCCOC1 85277323 574025402 /nfs/dbraw/zinc/02/54/02/574025402.db2.gz ORZJGKCUYMPGAN-SSDOTTSWSA-N 0 0 197.200 1.707 10 0 ADAERN CC(C)[C@H](C)Oc1cnc(N)cn1 87734440 574025405 /nfs/dbraw/zinc/02/54/05/574025405.db2.gz KGIURNWFEFXZKR-ZETCQYMHSA-N 0 0 181.239 1.482 10 0 ADAERN Nc1cnc(NCC(F)(F)F)cn1 87732237 574025411 /nfs/dbraw/zinc/02/54/11/574025411.db2.gz FBHHKDVQJGWBRD-UHFFFAOYSA-N 0 0 192.144 1.033 10 0 ADAERN CC(C)CN(C)c1cnc(N)cn1 87733423 574025413 /nfs/dbraw/zinc/02/54/13/574025413.db2.gz ABILYTUWBGMZHS-UHFFFAOYSA-N 0 0 180.255 1.151 10 0 ADAERN Nc1cc([C@H]2CCCOC2)on1 85278543 574025427 /nfs/dbraw/zinc/02/54/27/574025427.db2.gz ANRPLWFOFTURQB-LURJTMIESA-N 0 0 168.196 1.151 10 0 ADAERN Nc1cc(-c2ccoc2)on1 85278454 574025433 /nfs/dbraw/zinc/02/54/33/574025433.db2.gz QPUZTFKHSAJFPM-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN CCN[C@H](C1CC1)C(F)(F)F 85277278 574025439 /nfs/dbraw/zinc/02/54/39/574025439.db2.gz XTPCTBWQVHCMAT-ZCFIWIBFSA-N 0 0 167.174 1.937 10 0 ADAERN CC[C@H](C)Oc1cnc(N)cn1 87734298 574025447 /nfs/dbraw/zinc/02/54/47/574025447.db2.gz BRTNBMSARDJBRX-LURJTMIESA-N 0 0 167.212 1.236 10 0 ADAERN [NH3+][C@H](c1cccnc1C(=O)[O-])C1CC1 104517150 574025449 /nfs/dbraw/zinc/02/54/49/574025449.db2.gz XQVKMQXVTOUUHN-QMMMGPOBSA-N 0 0 192.218 1.190 10 0 ADAERN CC(C)n1cccc1[C@H]([NH3+])CO 104524192 574025452 /nfs/dbraw/zinc/02/54/52/574025452.db2.gz MEUOWVASNJSXKD-MRVPVSSYSA-N 0 0 168.240 1.061 10 0 ADAERN CC[C@H](C)N(C)c1cnc(N)cn1 87733422 574025457 /nfs/dbraw/zinc/02/54/57/574025457.db2.gz KTRKXMQRPDIVCF-ZETCQYMHSA-N 0 0 180.255 1.294 10 0 ADAERN CC(C)Sc1cnc(N)cn1 87734586 574025484 /nfs/dbraw/zinc/02/54/84/574025484.db2.gz ISHPBMNJZXIFLC-UHFFFAOYSA-N 0 0 169.253 1.559 10 0 ADAERN CN[C@@]1(C(F)(F)F)CCO[C@H](C)C1 85276467 574025518 /nfs/dbraw/zinc/02/55/18/574025518.db2.gz DOLMYABHUKLXQK-RQJHMYQMSA-N 0 0 197.200 1.706 10 0 ADAERN CCC(=O)[C@@]1(C)CCCCO1 87761500 574025546 /nfs/dbraw/zinc/02/55/46/574025546.db2.gz QNQPOYTWIRLUGK-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN C[C@@]1(C(N)=S)CCCCO1 87761151 574025567 /nfs/dbraw/zinc/02/55/67/574025567.db2.gz LVQJGEZFOINTHO-ZETCQYMHSA-N 0 0 159.254 1.232 10 0 ADAERN Nc1cnc(NCC2CCCC2)cn1 87732328 574025572 /nfs/dbraw/zinc/02/55/72/574025572.db2.gz QAIXNBZEZONHPN-UHFFFAOYSA-N 0 0 192.266 1.661 10 0 ADAERN CC(C)C[C@@H](C)Nc1cnc(N)cn1 87732324 574025579 /nfs/dbraw/zinc/02/55/79/574025579.db2.gz CZYDIXBSCQGRED-MRVPVSSYSA-N 0 0 194.282 1.905 10 0 ADAERN [NH3+][C@@H](c1ccc(O)cn1)C1CC1 104523630 574025586 /nfs/dbraw/zinc/02/55/86/574025586.db2.gz SOXFBMJCCBGDJX-SECBINFHSA-N 0 0 164.208 1.197 10 0 ADAERN CCN[C@@]1(C(F)(F)F)CCOC1 85277398 574025591 /nfs/dbraw/zinc/02/55/91/574025591.db2.gz RZLOSHJDKJLTCL-LURJTMIESA-N 0 0 183.173 1.317 10 0 ADAERN CN[C@@](C)(COC)C(F)(F)F 85276290 574025597 /nfs/dbraw/zinc/02/55/97/574025597.db2.gz ODGUQQBZHWOKKL-YFKPBYRVSA-N 0 0 171.162 1.173 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cnccc1C(=O)[O-] 104517129 574025598 /nfs/dbraw/zinc/02/55/98/574025598.db2.gz PJCJRJHDGIEKSW-SECBINFHSA-N 0 0 194.234 1.436 10 0 ADAERN Nc1cnc(Oc2cccnc2)cn1 87734254 574025599 /nfs/dbraw/zinc/02/55/99/574025599.db2.gz DTXFJXDGLFTERD-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN CCN[C@@]1(C(F)(F)F)CCN(C)C1 85277317 574025600 /nfs/dbraw/zinc/02/56/00/574025600.db2.gz JJYJKDMHICECCM-ZETCQYMHSA-N 0 0 196.216 1.233 10 0 ADAERN CNc1cc(C)nc(COC(C)C)n1 87735472 574025605 /nfs/dbraw/zinc/02/56/05/574025605.db2.gz OBZXJMODURBLKV-UHFFFAOYSA-N 0 0 195.266 1.752 10 0 ADAERN CC[C@H](C)Sc1cnc(N)cn1 87734497 574025609 /nfs/dbraw/zinc/02/56/09/574025609.db2.gz LIQNIBQEQIVIOA-LURJTMIESA-N 0 0 183.280 1.949 10 0 ADAERN CC1(C)CC[C@@](O)(c2cncnc2)C1 87773042 574027602 /nfs/dbraw/zinc/02/76/02/574027602.db2.gz CFPTUMCLUGKJMJ-NSHDSACASA-N 0 0 192.262 1.874 10 0 ADAERN CCCc1onc(N)c1CC 85278764 574027605 /nfs/dbraw/zinc/02/76/05/574027605.db2.gz ZKJINSRTLZKAAP-UHFFFAOYSA-N 0 0 154.213 1.772 10 0 ADAERN CCc1c(N)noc1[C@H]1CCCOC1 85278783 574027612 /nfs/dbraw/zinc/02/76/12/574027612.db2.gz JVEDEUKAOPMFJG-ZETCQYMHSA-N 0 0 196.250 1.713 10 0 ADAERN Cn1ccnc1[C@]1(O)CCC(C)(C)C1 87773054 574027627 /nfs/dbraw/zinc/02/76/27/574027627.db2.gz ZFNINVSRDCPPLC-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CCc1c(N)noc1-c1ccncc1 85278858 574027650 /nfs/dbraw/zinc/02/76/50/574027650.db2.gz VBQHOTZEQDODJD-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CC(F)(F)c1nsc(N)n1 258467011 574027665 /nfs/dbraw/zinc/02/76/65/574027665.db2.gz HTFWGSVIFFMIMU-UHFFFAOYSA-N 0 0 165.168 1.232 10 0 ADAERN Cn1ccnc1[C@@]1(O)CCC(C)(C)C1 87773053 574027691 /nfs/dbraw/zinc/02/76/91/574027691.db2.gz ZFNINVSRDCPPLC-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN CCOC(=N)[C@@]1(C)CCCCO1 87764366 574027711 /nfs/dbraw/zinc/02/77/11/574027711.db2.gz FIYFSQRNMJUDMQ-SECBINFHSA-N 0 0 171.240 1.959 10 0 ADAERN CCc1c(N)noc1-c1cn[nH]c1 85278669 574027724 /nfs/dbraw/zinc/02/77/24/574027724.db2.gz IKNSWBXSSLJLPR-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN CC1(C)CC[C@@]2(CC(=O)NC2=O)C1 87769673 574027749 /nfs/dbraw/zinc/02/77/49/574027749.db2.gz LXFRSRJUVBQTRP-SNVBAGLBSA-N 0 0 181.235 1.229 10 0 ADAERN CNc1nc([C@@]2(C)CCCCO2)no1 87764646 574027752 /nfs/dbraw/zinc/02/77/52/574027752.db2.gz DSQMCCOJPATABY-SECBINFHSA-N 0 0 197.238 1.527 10 0 ADAERN CN[C@]1(C(=O)OC)CCC(C)(C)C1 87772742 574027776 /nfs/dbraw/zinc/02/77/76/574027776.db2.gz QZRXAFQLAUBXOL-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN CC1(C)CC[C@@H]([NH2+]CC(=O)[O-])C1 87769839 574027796 /nfs/dbraw/zinc/02/77/96/574027796.db2.gz QKOYLKCKPUBXFD-SSDOTTSWSA-N 0 0 171.240 1.239 10 0 ADAERN COC(=O)CNCCc1ccsc1 49181589 574027818 /nfs/dbraw/zinc/02/78/18/574027818.db2.gz SSLHCISPGSXAOA-UHFFFAOYSA-N 0 0 199.275 1.053 10 0 ADAERN CC(C)CCOCCSCCO 49267756 574027861 /nfs/dbraw/zinc/02/78/61/574027861.db2.gz NTVGPKNGDONOBU-UHFFFAOYSA-N 0 0 192.324 1.775 10 0 ADAERN CC1(C)CC[C@@](C)(O)C1 87773027 574027882 /nfs/dbraw/zinc/02/78/82/574027882.db2.gz WSJHVFRHJYXQCP-MRVPVSSYSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@]1(c2nc(CO)c[nH]2)CCCCO1 87764771 574027895 /nfs/dbraw/zinc/02/78/95/574027895.db2.gz OFJTXDPWPBONGR-SNVBAGLBSA-N 0 0 196.250 1.318 10 0 ADAERN O=C([O-])CC[NH2+]CCc1ccsc1 49181415 574027952 /nfs/dbraw/zinc/02/79/52/574027952.db2.gz LIYJIQMVOTUDDF-UHFFFAOYSA-N 0 0 199.275 1.355 10 0 ADAERN C[C@@]1(c2nc(C=O)c[nH]2)CCCCO1 87764903 574027975 /nfs/dbraw/zinc/02/79/75/574027975.db2.gz YHYFNNORUUIVRJ-JTQLQIEISA-N 0 0 194.234 1.638 10 0 ADAERN C[C@]1(c2nccc(N)n2)CCCCO1 87764520 574027981 /nfs/dbraw/zinc/02/79/81/574027981.db2.gz RCIGXVKVGJMNJR-SNVBAGLBSA-N 0 0 193.250 1.475 10 0 ADAERN C[C@H](Cc1ccsc1)[NH2+]CC(=O)[O-] 49182338 574027982 /nfs/dbraw/zinc/02/79/82/574027982.db2.gz BSHXAPSXJRQQBN-SSDOTTSWSA-N 0 0 199.275 1.353 10 0 ADAERN COC(=O)[C@H](O)[C@H]1CCC(C)(C)C1 87770991 574027999 /nfs/dbraw/zinc/02/79/99/574027999.db2.gz ZOHHDMRZWVNLGI-JGVFFNPUSA-N 0 0 186.251 1.347 10 0 ADAERN COC(=O)[C@H](O)[C@@H]1CCC(C)(C)C1 87770993 574028021 /nfs/dbraw/zinc/02/80/21/574028021.db2.gz ZOHHDMRZWVNLGI-HTQZYQBOSA-N 0 0 186.251 1.347 10 0 ADAERN C[C@@H](Cc1ccsc1)[NH2+]CC(=O)[O-] 49182336 574028068 /nfs/dbraw/zinc/02/80/68/574028068.db2.gz BSHXAPSXJRQQBN-ZETCQYMHSA-N 0 0 199.275 1.353 10 0 ADAERN CCOC(=N)[C@]1(C)CCCCO1 87764364 574028070 /nfs/dbraw/zinc/02/80/70/574028070.db2.gz FIYFSQRNMJUDMQ-VIFPVBQESA-N 0 0 171.240 1.959 10 0 ADAERN C[C@]1(c2nc(C=O)c[nH]2)CCCCO1 87764901 574028142 /nfs/dbraw/zinc/02/81/42/574028142.db2.gz YHYFNNORUUIVRJ-SNVBAGLBSA-N 0 0 194.234 1.638 10 0 ADAERN CN(O)CC[C@H]1CCSC1 258466966 574028154 /nfs/dbraw/zinc/02/81/54/574028154.db2.gz HSZGFQGHVVLOGD-ZETCQYMHSA-N 0 0 161.270 1.451 10 0 ADAERN CCc1c(N)noc1C1CCOCC1 85278660 574028174 /nfs/dbraw/zinc/02/81/74/574028174.db2.gz SGHSEVUANWRSPV-UHFFFAOYSA-N 0 0 196.250 1.713 10 0 ADAERN Cn1cc(CCn2cccc2)cn1 87766931 574028185 /nfs/dbraw/zinc/02/81/85/574028185.db2.gz DAHCZHOQCJCVFF-UHFFFAOYSA-N 0 0 175.235 1.464 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCC(C)(C)C1 87772725 574028205 /nfs/dbraw/zinc/02/82/05/574028205.db2.gz GTLWSQDERAQMRB-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN O=Cc1n[nH]c2c1[C@@H](F)CC2 258467060 574028206 /nfs/dbraw/zinc/02/82/06/574028206.db2.gz HTVNRQMNLJPKEK-BYPYZUCNSA-N 0 0 154.144 1.179 10 0 ADAERN C[C@]1(c2noc(C=O)n2)CCCCO1 87764856 574028226 /nfs/dbraw/zinc/02/82/26/574028226.db2.gz YXIFLUBHFFPSFN-SECBINFHSA-N 0 0 196.206 1.298 10 0 ADAERN C[C@@]1(c2noc(C=O)n2)CCCCO1 87764858 574028252 /nfs/dbraw/zinc/02/82/52/574028252.db2.gz YXIFLUBHFFPSFN-VIFPVBQESA-N 0 0 196.206 1.298 10 0 ADAERN C[C@@]1(c2nccc(N)n2)CCCCO1 87764522 574028254 /nfs/dbraw/zinc/02/82/54/574028254.db2.gz RCIGXVKVGJMNJR-JTQLQIEISA-N 0 0 193.250 1.475 10 0 ADAERN CCc1c(N)noc1[C@H]1C[C@@H]1C 85278732 574028268 /nfs/dbraw/zinc/02/82/68/574028268.db2.gz GUYRFTKCNQVZHC-FSPLSTOPSA-N 0 0 166.224 1.943 10 0 ADAERN CC1(C)CC[C@@H](CO)C1 87770877 574028269 /nfs/dbraw/zinc/02/82/69/574028269.db2.gz LSZXVUJJTONWHR-SSDOTTSWSA-N 0 0 128.215 1.805 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC(C)(C)C1 87772724 574028273 /nfs/dbraw/zinc/02/82/73/574028273.db2.gz GTLWSQDERAQMRB-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC(C)(C)C1 87772726 574028369 /nfs/dbraw/zinc/02/83/69/574028369.db2.gz SSNKREHNWDWFSD-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN CCc1c(N)noc1-c1ccccn1 85278663 574028375 /nfs/dbraw/zinc/02/83/75/574028375.db2.gz DTUJIDLNVWUWEG-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CC1(C)CC[C@](O)(c2cncnc2)C1 87773041 574028403 /nfs/dbraw/zinc/02/84/03/574028403.db2.gz CFPTUMCLUGKJMJ-LLVKDONJSA-N 0 0 192.262 1.874 10 0 ADAERN CCc1c(N)noc1[C@@H]1C[C@H]1C 85278734 574028432 /nfs/dbraw/zinc/02/84/32/574028432.db2.gz GUYRFTKCNQVZHC-IYSWYEEDSA-N 0 0 166.224 1.943 10 0 ADAERN CCO[C@H](C)O[C@H](C)/C=C(/C)CO 388680410 574028438 /nfs/dbraw/zinc/02/84/38/574028438.db2.gz AEEALOUAQXMSPN-VCNAMUQVSA-N 0 0 188.267 1.713 10 0 ADAERN COCc1ccc2c(c1)CCN2C 259284110 574028477 /nfs/dbraw/zinc/02/84/77/574028477.db2.gz TWJBXUKIPAKYNA-UHFFFAOYSA-N 0 0 177.247 1.825 10 0 ADAERN COc1ccc(NCCF)cn1 87774540 574029024 /nfs/dbraw/zinc/02/90/24/574029024.db2.gz WRSLOFVRVAAZPF-UHFFFAOYSA-N 0 0 170.187 1.472 10 0 ADAERN C[C@@H]1CN[C@H](c2ccncn2)S1 85300890 574029906 /nfs/dbraw/zinc/02/99/06/574029906.db2.gz MWOYOUAOWRDVCR-SVRRBLITSA-N 0 0 181.264 1.200 10 0 ADAERN Nc1ccc2c(c1)OCC1(CC1)CN2 259283414 574029919 /nfs/dbraw/zinc/02/99/19/574029919.db2.gz PRMZVNBDZVMDIB-UHFFFAOYSA-N 0 0 190.246 1.853 10 0 ADAERN CC1(C)CC[C@@](O)(c2cnccn2)C1 87773181 574029054 /nfs/dbraw/zinc/02/90/54/574029054.db2.gz DPLKJGUIGIAGKW-NSHDSACASA-N 0 0 192.262 1.874 10 0 ADAERN CNc1c(C2CCOCC2)n[nH]c1C 259284207 574029067 /nfs/dbraw/zinc/02/90/67/574029067.db2.gz RNLNMOFCGDNLRV-UHFFFAOYSA-N 0 0 195.266 1.654 10 0 ADAERN CC1(C)CC[C@@]2(CC(=O)N2)C1 87773674 574029104 /nfs/dbraw/zinc/02/91/04/574029104.db2.gz ZRNBOXIZBXBIGF-SECBINFHSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@H]1CN[C@@H](C(F)(F)F)CS1 85303520 574029137 /nfs/dbraw/zinc/02/91/37/574029137.db2.gz NXWMYZHAGBAGDC-RFZPGFLSSA-N 0 0 185.214 1.642 10 0 ADAERN C1CCC(S[C@H]2COCCN2)C1 259285182 574029159 /nfs/dbraw/zinc/02/91/59/574029159.db2.gz SEOHRIGUGMPNCD-VIFPVBQESA-N 0 0 187.308 1.608 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCC(C)(C)C1 87773796 574029178 /nfs/dbraw/zinc/02/91/78/574029178.db2.gz WAYHDSQFQMXDHN-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCC(C)(C)C1 87773713 574029182 /nfs/dbraw/zinc/02/91/82/574029182.db2.gz XWBCQIKGVBXLAG-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1CN[C@@H](c2cnn(C)c2)S1 85302363 574029184 /nfs/dbraw/zinc/02/91/84/574029184.db2.gz JKAXKWBVNXCSKF-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CN[C@@H](c2cnn(C)c2)S1 85302359 574029216 /nfs/dbraw/zinc/02/92/16/574029216.db2.gz JKAXKWBVNXCSKF-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@H]1CN[C@H](C(F)(F)F)CS1 85303517 574029222 /nfs/dbraw/zinc/02/92/22/574029222.db2.gz NXWMYZHAGBAGDC-WHFBIAKZSA-N 0 0 185.214 1.642 10 0 ADAERN CC1(C)CC[C@]2(CNC(=O)C2)C1 87773878 574029231 /nfs/dbraw/zinc/02/92/31/574029231.db2.gz RDJWDZURNKBDSS-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN CN1C(=O)N=C(N)[C@@]12CCC(C)(C)C2 87774024 574029233 /nfs/dbraw/zinc/02/92/33/574029233.db2.gz YCORNWQIOCULKP-JTQLQIEISA-N 0 0 195.266 1.568 10 0 ADAERN OCCn1cc2ccccc2n1 223773892 574029238 /nfs/dbraw/zinc/02/92/38/574029238.db2.gz YKKZOHDZPPHABF-UHFFFAOYSA-N 0 0 162.192 1.029 10 0 ADAERN CCOC(=O)[C@]1(O)CCC(C)(C)C1 87773444 574029240 /nfs/dbraw/zinc/02/92/40/574029240.db2.gz ACRMLMWUQYSGDB-JTQLQIEISA-N 0 0 186.251 1.491 10 0 ADAERN CCOC[C@@]1(O)CCC(C)(C)C1 87773275 574029241 /nfs/dbraw/zinc/02/92/41/574029241.db2.gz AICYKIMXBMKNQJ-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CCOC[C@]1(O)CCC(C)(C)C1 87773274 574029256 /nfs/dbraw/zinc/02/92/56/574029256.db2.gz AICYKIMXBMKNQJ-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H](C[NH3+])SCCCCC(=O)[O-] 85300680 574029262 /nfs/dbraw/zinc/02/92/62/574029262.db2.gz RTKVMUOCDSIDBY-SSDOTTSWSA-N 0 0 191.296 1.322 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC(C)(C)C1 87773795 574029263 /nfs/dbraw/zinc/02/92/63/574029263.db2.gz WAYHDSQFQMXDHN-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN Cn1cc([C@@]2(O)CCC(C)(C)C2)cn1 87773248 574029265 /nfs/dbraw/zinc/02/92/65/574029265.db2.gz HAFJXEDCNVAXGQ-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN O=C(COC1CC1)Cc1cncs1 716947283 574029268 /nfs/dbraw/zinc/02/92/68/574029268.db2.gz OZQPJFNAHIFSQA-UHFFFAOYSA-N 0 0 197.259 1.434 10 0 ADAERN CO[C@H](C)Cc1cccc(CON)c1 259284875 574029272 /nfs/dbraw/zinc/02/92/72/574029272.db2.gz BRLCXBGCONEFGN-SECBINFHSA-N 0 0 195.262 1.654 10 0 ADAERN COc1ccc([C@@H](C)NC#N)cc1 85300153 574029276 /nfs/dbraw/zinc/02/92/76/574029276.db2.gz JVACSYSIRWSWKJ-MRVPVSSYSA-N 0 0 176.219 1.827 10 0 ADAERN Cc1cc2nn(C)cc2cc1N 259285093 574029308 /nfs/dbraw/zinc/02/93/08/574029308.db2.gz CNBSRJUOZYQYOV-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN COC(=O)[C@]1(O)CCC(C)(C)C1 87773443 574029309 /nfs/dbraw/zinc/02/93/09/574029309.db2.gz VZVXASKSIDSTSE-VIFPVBQESA-N 0 0 172.224 1.101 10 0 ADAERN Nc1cc(F)c(OCCF)cc1F 87774149 574029312 /nfs/dbraw/zinc/02/93/12/574029312.db2.gz IKUTVAXLOTUCOW-UHFFFAOYSA-N 0 0 191.152 1.895 10 0 ADAERN CC(C)(C)[C@]1(C)COC(=O)C1 258467138 574029315 /nfs/dbraw/zinc/02/93/15/574029315.db2.gz HUZUQUSFAUALPG-VIFPVBQESA-N 0 0 156.225 1.986 10 0 ADAERN Cc1cc(C=O)nn1C1CC1 259284113 574029321 /nfs/dbraw/zinc/02/93/21/574029321.db2.gz MNFUGOJOTYEILL-UHFFFAOYSA-N 0 0 150.181 1.339 10 0 ADAERN Cc1ccc2c(c1)OC[C@@H](C)C(=O)N2 259283313 574029325 /nfs/dbraw/zinc/02/93/25/574029325.db2.gz PQZHSNLHKPLIAQ-MRVPVSSYSA-N 0 0 191.230 1.962 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccco2)C[S@@]1=O 85304981 574029352 /nfs/dbraw/zinc/02/93/52/574029352.db2.gz VIZJEVQUEQXYFS-OTPXZMOZSA-N 0 0 199.275 1.061 10 0 ADAERN COC[C@@]1(O)CCC(C)(C)C1 87773322 574029376 /nfs/dbraw/zinc/02/93/76/574029376.db2.gz IBPDPKDRSMEQGQ-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN C[NH+](C)[C@@]1(CC(=O)[O-])CCC(C)(C)C1 87773667 574029386 /nfs/dbraw/zinc/02/93/86/574029386.db2.gz BPVPBUNIKBMLHU-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN COc1ccc([C@H](C)NC#N)cc1 85300151 574029393 /nfs/dbraw/zinc/02/93/93/574029393.db2.gz JVACSYSIRWSWKJ-QMMMGPOBSA-N 0 0 176.219 1.827 10 0 ADAERN Cc1cc(CO)c(C)cc1CO 111914205 574029395 /nfs/dbraw/zinc/02/93/95/574029395.db2.gz VNMZUQPYTXUYJM-UHFFFAOYSA-N 0 0 166.220 1.288 10 0 ADAERN CCn1cncc1[C@H]1NC[C@H](C)S1 85301370 574029396 /nfs/dbraw/zinc/02/93/96/574029396.db2.gz HMORLQSYCUKLRI-CBAPKCEASA-N 0 0 197.307 1.627 10 0 ADAERN Cn1cc([C@]2(O)CCC(C)(C)C2)cn1 87773249 574029416 /nfs/dbraw/zinc/02/94/16/574029416.db2.gz HAFJXEDCNVAXGQ-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CC1(C)CC[C@@]([NH3+])(CC(=O)[O-])C1 87773676 574029435 /nfs/dbraw/zinc/02/94/35/574029435.db2.gz PZVQCGYQIYYQFT-SECBINFHSA-N 0 0 171.240 1.369 10 0 ADAERN CC1(C)CC[C@@]2(CNC(=O)C2)C1 87773877 574029445 /nfs/dbraw/zinc/02/94/45/574029445.db2.gz RDJWDZURNKBDSS-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN CC1(C)CC[C@]([NH3+])(CC(=O)[O-])C1 87773675 574029448 /nfs/dbraw/zinc/02/94/48/574029448.db2.gz PZVQCGYQIYYQFT-VIFPVBQESA-N 0 0 171.240 1.369 10 0 ADAERN CC1(C)CC/C(=C2\CC(=O)NC2=O)C1 87773657 574029468 /nfs/dbraw/zinc/02/94/68/574029468.db2.gz JOTYYHBBHGIUBJ-FPLPWBNLSA-N 0 0 193.246 1.540 10 0 ADAERN Oc1ccc(O)c(C2CCOCC2)c1 259284192 574029488 /nfs/dbraw/zinc/02/94/88/574029488.db2.gz AMPVQTBHKVWUMN-UHFFFAOYSA-N 0 0 194.230 1.992 10 0 ADAERN CC1(C)CC[C@@]2(C1)NC(=O)N=C2N 87774018 574029494 /nfs/dbraw/zinc/02/94/94/574029494.db2.gz JZENZYYEFDXWMT-VIFPVBQESA-N 0 0 181.239 1.225 10 0 ADAERN C[NH+](C)[C@@]1(C(=O)[O-])CCC(C)(C)C1 87773373 574029503 /nfs/dbraw/zinc/02/95/03/574029503.db2.gz SXDIEGDAHXZLRK-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN CCn1nccc1C(=O)COC1CC1 716947083 574029523 /nfs/dbraw/zinc/02/95/23/574029523.db2.gz OHYUUJKRIQZNSA-UHFFFAOYSA-N 0 0 194.234 1.265 10 0 ADAERN C[C@H]1CN[C@@H](C(F)(F)F)CS1 85303523 574029540 /nfs/dbraw/zinc/02/95/40/574029540.db2.gz NXWMYZHAGBAGDC-CRCLSJGQSA-N 0 0 185.214 1.642 10 0 ADAERN Cc1ccccc1[C@H]([NH3+])/C=C/C(=O)[O-] 259284767 574029553 /nfs/dbraw/zinc/02/95/53/574029553.db2.gz HNBDUGLYRAYAKP-VQCYPWCPSA-N 0 0 191.230 1.636 10 0 ADAERN CC1(C)CC[C@@](O)([C@H]2CCOC2)C1 87773253 574029567 /nfs/dbraw/zinc/02/95/67/574029567.db2.gz XOKMLCUXNSKGMA-ONGXEEELSA-N 0 0 184.279 1.964 10 0 ADAERN CC1(C)CC[C@@]2(COC(=O)N2)C1 87773828 574029570 /nfs/dbraw/zinc/02/95/70/574029570.db2.gz ACMHBIOVHNHTND-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN Cn1nccc1[C@]1(O)CCC(C)(C)C1 87773145 574029601 /nfs/dbraw/zinc/02/96/01/574029601.db2.gz BGSWDQKTJSESSM-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN C[NH2+][C@H](Sc1ccccc1)C(=O)[O-] 259285154 574029605 /nfs/dbraw/zinc/02/96/05/574029605.db2.gz SDWRLMKHFFIANF-MRVPVSSYSA-N 0 0 197.259 1.409 10 0 ADAERN Cc1ccc(OCCF)c(N)n1 87774142 574029611 /nfs/dbraw/zinc/02/96/11/574029611.db2.gz VREGWSCRSGEAKA-UHFFFAOYSA-N 0 0 170.187 1.321 10 0 ADAERN CC1(C)CC[C@@]2(COC(N)=N2)C1 87773826 574029621 /nfs/dbraw/zinc/02/96/21/574029621.db2.gz FCPBDDQBLLCFJG-VIFPVBQESA-N 0 0 168.240 1.280 10 0 ADAERN CC1(C)CC[C@]2(COC(N)=N2)C1 87773825 574029631 /nfs/dbraw/zinc/02/96/31/574029631.db2.gz FCPBDDQBLLCFJG-SECBINFHSA-N 0 0 168.240 1.280 10 0 ADAERN CC1(C)CC[C@](O)(c2cnccn2)C1 87773180 574029653 /nfs/dbraw/zinc/02/96/53/574029653.db2.gz DPLKJGUIGIAGKW-LLVKDONJSA-N 0 0 192.262 1.874 10 0 ADAERN C[NH+](C)[C@]1(CC(=O)[O-])CCC(C)(C)C1 87773666 574029674 /nfs/dbraw/zinc/02/96/74/574029674.db2.gz BPVPBUNIKBMLHU-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)c1cnc(OC)n1C(C)C 259284802 574029681 /nfs/dbraw/zinc/02/96/81/574029681.db2.gz HKDLYAQBDHGXRO-UHFFFAOYSA-N 0 0 198.222 1.259 10 0 ADAERN COC(=O)[C@@]1(O)CCC(C)(C)C1 87773442 574029693 /nfs/dbraw/zinc/02/96/93/574029693.db2.gz VZVXASKSIDSTSE-SECBINFHSA-N 0 0 172.224 1.101 10 0 ADAERN COc1cc(C)c(F)cc1C=O 111932455 574029711 /nfs/dbraw/zinc/02/97/11/574029711.db2.gz NITRKSZVWHKTSE-UHFFFAOYSA-N 0 0 168.167 1.955 10 0 ADAERN CC1(C)CC[C@@H]([NH+]2CC(C(=O)[O-])C2)C1 87773756 574029728 /nfs/dbraw/zinc/02/97/28/574029728.db2.gz 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/nfs/dbraw/zinc/02/98/79/574029879.db2.gz YGEZDFJWJZSOSI-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN FCCn1cccc1 87777377 574032499 /nfs/dbraw/zinc/03/24/99/574032499.db2.gz MUMUMSWEHHSTFI-UHFFFAOYSA-N 0 0 113.135 1.458 10 0 ADAERN C[C@H]1CS[C@H](c2cncn2C)N1 85309858 574032500 /nfs/dbraw/zinc/03/25/00/574032500.db2.gz WYKKJTNAUJUKBO-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN CC(C)[C@H](CO)c1ccncc1 259286137 574031574 /nfs/dbraw/zinc/03/15/74/574031574.db2.gz PPSMPLGEKASCGR-JTQLQIEISA-N 0 0 165.236 1.814 10 0 ADAERN CC(=O)[C@H]1CCCCN1CCF 87775530 574031579 /nfs/dbraw/zinc/03/15/79/574031579.db2.gz DMRGBKPIPZULDT-SECBINFHSA-N 0 0 173.231 1.399 10 0 ADAERN C[C@@H]1CS[C@H](c2cnn(C)c2)N1 85310256 574031585 /nfs/dbraw/zinc/03/15/85/574031585.db2.gz DQUZWRWPASGXQN-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN OCCCSCCF 87776554 574031630 /nfs/dbraw/zinc/03/16/30/574031630.db2.gz YQJMIZXHVOMGNL-UHFFFAOYSA-N 0 0 138.207 1.072 10 0 ADAERN C[C@@H](O)c1ccn2ccnc2c1 143745277 574032506 /nfs/dbraw/zinc/03/25/06/574032506.db2.gz ITVWJRBUPUDWQA-SSDOTTSWSA-N 0 0 162.192 1.388 10 0 ADAERN Cc1sc(CO)nc1-c1cc[nH]c1 259286672 574031650 /nfs/dbraw/zinc/03/16/50/574031650.db2.gz PUCLESVSZVGLSG-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN C[C@H]1CS[C@@H](c2ccccn2)N1 85309899 574031684 /nfs/dbraw/zinc/03/16/84/574031684.db2.gz YVOWDDGCHMKDJS-CBAPKCEASA-N 0 0 180.276 1.805 10 0 ADAERN Oc1ccccc1OCCF 87776111 574031708 /nfs/dbraw/zinc/03/17/08/574031708.db2.gz OZKMEBHPILEMCQ-UHFFFAOYSA-N 0 0 156.156 1.741 10 0 ADAERN C[C@H]1CSC[C@H](C(F)(F)F)N1 85311026 574031764 /nfs/dbraw/zinc/03/17/64/574031764.db2.gz BSDWMFWBPBYYDY-CRCLSJGQSA-N 0 0 185.214 1.642 10 0 ADAERN COC(=O)[C@H](F)CCC(C)C 258468935 574031776 /nfs/dbraw/zinc/03/17/76/574031776.db2.gz HXWPVFDVVJNZAK-SSDOTTSWSA-N 0 0 162.204 1.934 10 0 ADAERN CCn1cncc1[C@@H]1N[C@H](C)CS1 85309762 574031780 /nfs/dbraw/zinc/03/17/80/574031780.db2.gz SIZGFKHADCVPAQ-VXNVDRBHSA-N 0 0 197.307 1.627 10 0 ADAERN C[C@@H]1CS[C@H](c2cncn2C)N1 85309856 574031804 /nfs/dbraw/zinc/03/18/04/574031804.db2.gz WYKKJTNAUJUKBO-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@H]1CS[C@H](c2cnn(C)c2)N1 85310258 574031875 /nfs/dbraw/zinc/03/18/75/574031875.db2.gz DQUZWRWPASGXQN-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN Cc1cc(CNCCF)no1 87775009 574031902 /nfs/dbraw/zinc/03/19/02/574031902.db2.gz SFDYQZAWAGIPIX-UHFFFAOYSA-N 0 0 158.176 1.042 10 0 ADAERN CCn1cncc1[C@@H]1N[C@@H](C)CS1 85309765 574031911 /nfs/dbraw/zinc/03/19/11/574031911.db2.gz SIZGFKHADCVPAQ-IONNQARKSA-N 0 0 197.307 1.627 10 0 ADAERN C[C@H]1CS[C@H](c2ccncn2)N1 85309460 574031931 /nfs/dbraw/zinc/03/19/31/574031931.db2.gz NXLXWPJMXQDQRZ-POYBYMJQSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@@H]1CS[C@@H](c2cccnc2)N1 85310016 574031957 /nfs/dbraw/zinc/03/19/57/574031957.db2.gz UXAHUAMMMNJXIE-APPZFPTMSA-N 0 0 180.276 1.805 10 0 ADAERN CC[C@H](CCF)C(C)=O 87776204 574031971 /nfs/dbraw/zinc/03/19/71/574031971.db2.gz KJAJRQUIJAJAAS-SSDOTTSWSA-N 0 0 132.178 1.961 10 0 ADAERN Nc1ccc2c(c1)CN(CCF)CC2 87775919 574031981 /nfs/dbraw/zinc/03/19/81/574031981.db2.gz WFQGSOIXPKKYED-UHFFFAOYSA-N 0 0 194.253 1.596 10 0 ADAERN C[C@H]1c2ccccc2CCN1O 143806749 574032009 /nfs/dbraw/zinc/03/20/09/574032009.db2.gz WWFQVNDUKXWHMC-QMMMGPOBSA-N 0 0 163.220 1.995 10 0 ADAERN COc1c[nH]c2ccccc2c1=O 143773815 574032014 /nfs/dbraw/zinc/03/20/14/574032014.db2.gz AXJGIZYBFNZKJH-UHFFFAOYSA-N 0 0 175.187 1.537 10 0 ADAERN CC(=O)C1CCN(CCF)CC1 87775528 574032024 /nfs/dbraw/zinc/03/20/24/574032024.db2.gz KFAMRYAFLQKCHW-UHFFFAOYSA-N 0 0 173.231 1.257 10 0 ADAERN C[C@H]1CS[C@@H](c2cnn(C)c2)N1 85310262 574032044 /nfs/dbraw/zinc/03/20/44/574032044.db2.gz DQUZWRWPASGXQN-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN Cc1c(OC(C)C)cc[n+]([O-])c1C 143791615 574032049 /nfs/dbraw/zinc/03/20/49/574032049.db2.gz WYSUXIKDQKBTJC-UHFFFAOYSA-N 0 0 181.235 1.724 10 0 ADAERN CCSc1nc(=O)[nH]c(C)c1C 143807161 574032069 /nfs/dbraw/zinc/03/20/69/574032069.db2.gz MUUAAWPQPQQZCH-UHFFFAOYSA-N 0 0 184.264 1.499 10 0 ADAERN C[C@@H]1CS[C@@H](c2cncn2C)N1 85309860 574032095 /nfs/dbraw/zinc/03/20/95/574032095.db2.gz WYKKJTNAUJUKBO-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN O=C(CCCF)C1CC1 87776244 574032110 /nfs/dbraw/zinc/03/21/10/574032110.db2.gz DODCKYFYFDWARO-UHFFFAOYSA-N 0 0 130.162 1.715 10 0 ADAERN Cc1ccc(C)n1NCCF 87775363 574032117 /nfs/dbraw/zinc/03/21/17/574032117.db2.gz YMCKXURTEPVNLK-UHFFFAOYSA-N 0 0 156.204 1.618 10 0 ADAERN Nc1cnccc1SCCF 87775736 574032120 /nfs/dbraw/zinc/03/21/20/574032120.db2.gz SWKCISSJSHBJBQ-UHFFFAOYSA-N 0 0 172.228 1.725 10 0 ADAERN Nc1cccnc1SCCF 87775737 574032124 /nfs/dbraw/zinc/03/21/24/574032124.db2.gz PQIKTZPHRVBNAZ-UHFFFAOYSA-N 0 0 172.228 1.725 10 0 ADAERN CCC(=O)[C@@H](C)CCF 87776245 574032127 /nfs/dbraw/zinc/03/21/27/574032127.db2.gz ZADUPMIDUBSXIO-LURJTMIESA-N 0 0 132.178 1.961 10 0 ADAERN O[C@@H]1COc2cc(OCCF)ccc21 87775994 574032167 /nfs/dbraw/zinc/03/21/67/574032167.db2.gz PTLGXGDCVDTEDX-SECBINFHSA-N 0 0 198.193 1.461 10 0 ADAERN FCCN[C@H]1COc2ccccc21 87775205 574032176 /nfs/dbraw/zinc/03/21/76/574032176.db2.gz MHMNKSCEARPGPH-VIFPVBQESA-N 0 0 181.210 1.679 10 0 ADAERN C[C@@H]1C[S@@](=O)C[C@H](c2ccco2)N1 85312064 574032180 /nfs/dbraw/zinc/03/21/80/574032180.db2.gz MTVRIKSZFVESGS-RBDZCENOSA-N 0 0 199.275 1.061 10 0 ADAERN C[C@@H]1C[S@](=O)C[C@H](c2ccco2)N1 85312068 574032190 /nfs/dbraw/zinc/03/21/90/574032190.db2.gz MTVRIKSZFVESGS-OTPXZMOZSA-N 0 0 199.275 1.061 10 0 ADAERN OC[C@@H]1Cc2ccc(Cl)nc2C1 143721546 574032228 /nfs/dbraw/zinc/03/22/28/574032228.db2.gz UBLPNIGKZGWDKN-ZCFIWIBFSA-N 0 0 183.638 1.442 10 0 ADAERN C[C@H](CO)C(=O)C1CCCCC1 143743490 574032244 /nfs/dbraw/zinc/03/22/44/574032244.db2.gz VMBNCGAXOKUYJQ-MRVPVSSYSA-N 0 0 170.252 1.764 10 0 ADAERN C[C@H]1CS[C@@H](c2cccnc2)N1 85310018 574032259 /nfs/dbraw/zinc/03/22/59/574032259.db2.gz UXAHUAMMMNJXIE-CBAPKCEASA-N 0 0 180.276 1.805 10 0 ADAERN C/C(=C\C[N@@H+](C)CC1CCC1)C(=O)[O-] 214556188 574032260 /nfs/dbraw/zinc/03/22/60/574032260.db2.gz WOSIVNVTDLRBTQ-RMKNXTFCSA-N 0 0 197.278 1.749 10 0 ADAERN C[C@@H]1c2ccccc2CCN1O 143806569 574032317 /nfs/dbraw/zinc/03/23/17/574032317.db2.gz WWFQVNDUKXWHMC-MRVPVSSYSA-N 0 0 163.220 1.995 10 0 ADAERN O=C1CNc2nc3ccccc3cc21 143836406 574032327 /nfs/dbraw/zinc/03/23/27/574032327.db2.gz OLXIFOLYOLHGDF-UHFFFAOYSA-N 0 0 184.198 1.843 10 0 ADAERN C[C@H]1CS[C@@H](c2ccncn2)N1 85309465 574032331 /nfs/dbraw/zinc/03/23/31/574032331.db2.gz NXLXWPJMXQDQRZ-XPUUQOCRSA-N 0 0 181.264 1.200 10 0 ADAERN O=C1CCOc2c(O)ccc(F)c21 143793408 574032338 /nfs/dbraw/zinc/03/23/38/574032338.db2.gz DMHMWBKGPAONRZ-UHFFFAOYSA-N 0 0 182.150 1.497 10 0 ADAERN C[C@H]1CS[C@@H](c2cncn2C)N1 85309861 574032353 /nfs/dbraw/zinc/03/23/53/574032353.db2.gz WYKKJTNAUJUKBO-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H]1O 143777787 574032363 /nfs/dbraw/zinc/03/23/63/574032363.db2.gz MEBSIULCUCPNNI-IEBDPFPHSA-N 0 0 178.231 1.755 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CO)C2 258468888 574032371 /nfs/dbraw/zinc/03/23/71/574032371.db2.gz HVZZGGQKOPOIRK-SECBINFHSA-N 0 0 148.205 1.627 10 0 ADAERN C[C@@H]1CSC[C@H](C(F)(F)F)N1 85311024 574032374 /nfs/dbraw/zinc/03/23/74/574032374.db2.gz BSDWMFWBPBYYDY-RFZPGFLSSA-N 0 0 185.214 1.642 10 0 ADAERN CC[C@H]1Cc2c(ccc(N)c2N)C1=O 143810708 574032397 /nfs/dbraw/zinc/03/23/97/574032397.db2.gz UEXHHDDYPSGICE-LURJTMIESA-N 0 0 190.246 1.616 10 0 ADAERN C[C@@H]1CS[C@H](c2ccccn2)N1 85309894 574032400 /nfs/dbraw/zinc/03/24/00/574032400.db2.gz YVOWDDGCHMKDJS-VXNVDRBHSA-N 0 0 180.276 1.805 10 0 ADAERN C[C@@H]1CS[C@@H](c2cnn(C)c2)N1 85310260 574032427 /nfs/dbraw/zinc/03/24/27/574032427.db2.gz DQUZWRWPASGXQN-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN CC[C@@H](C[C@@H](C)CO)C(C)=O 128283921 574032434 /nfs/dbraw/zinc/03/24/34/574032434.db2.gz HJGJIHYTXBHMSV-APPZFPTMSA-N 0 0 158.241 1.620 10 0 ADAERN C[C@H]1CS[C@H](c2cccnc2)N1 85310015 574032438 /nfs/dbraw/zinc/03/24/38/574032438.db2.gz UXAHUAMMMNJXIE-IONNQARKSA-N 0 0 180.276 1.805 10 0 ADAERN O[C@@H]1CCCC[C@@H]1CCF 87776982 574032443 /nfs/dbraw/zinc/03/24/43/574032443.db2.gz GAKKHLRDCKOQHK-HTQZYQBOSA-N 0 0 146.205 1.897 10 0 ADAERN COc1ccc2cnncc2c1OC 143803566 574032449 /nfs/dbraw/zinc/03/24/49/574032449.db2.gz CLIJLQQCUIBNDI-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN Cl/C=C(/Cl)CN[C@H]1CCOC1 87786059 574036353 /nfs/dbraw/zinc/03/63/53/574036353.db2.gz MWLJRDMHXGHORR-ZAXDUSRUSA-N 0 0 196.077 1.684 10 0 ADAERN CCCCN1C(=O)C[C@@H](CO)[C@H]1C 259288298 574036359 /nfs/dbraw/zinc/03/63/59/574036359.db2.gz GVZGUOUHENBPAQ-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN CCCNc1nc(C)nc2n[nH]cc12 87792596 574036361 /nfs/dbraw/zinc/03/63/61/574036361.db2.gz MKKHCECKENVAAK-UHFFFAOYSA-N 0 0 191.238 1.483 10 0 ADAERN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)[O-])o1 49353610 574036382 /nfs/dbraw/zinc/03/63/82/574036382.db2.gz DAHYSDYTPGYUHL-SFYZADRCSA-N 0 0 197.234 1.712 10 0 ADAERN O=C(CCOC1CCC1)C1CC1 716966274 574036391 /nfs/dbraw/zinc/03/63/91/574036391.db2.gz TYMVCKCMCGLYNK-UHFFFAOYSA-N 0 0 168.236 1.925 10 0 ADAERN CO[C@H](C)C[C@H](O)COC(C)C 128185591 574036408 /nfs/dbraw/zinc/03/64/08/574036408.db2.gz YQWOZRCPVYWBPF-BDAKNGLRSA-N 0 0 176.256 1.197 10 0 ADAERN C[C@H]1CCS[C@@H](c2ccncn2)N1 85318447 574036413 /nfs/dbraw/zinc/03/64/13/574036413.db2.gz XYHORERXAIXZJU-CBAPKCEASA-N 0 0 195.291 1.590 10 0 ADAERN C[C@H]1CCS[C@@H](c2cnn(C)c2)N1 85318559 574036419 /nfs/dbraw/zinc/03/64/19/574036419.db2.gz CNQYULOQJDXKHB-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CCS[C@H](c2ccncn2)N1 85318445 574036431 /nfs/dbraw/zinc/03/64/31/574036431.db2.gz XYHORERXAIXZJU-IONNQARKSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@H](O)[C@@H](F)C(F)(F)F 258469019 574036457 /nfs/dbraw/zinc/03/64/57/574036457.db2.gz IABRJRMUMUWCDG-STHAYSLISA-N 0 0 146.083 1.268 10 0 ADAERN CC(C)Nc1cn[nH]c(=O)c1Cl 87798185 574036470 /nfs/dbraw/zinc/03/64/70/574036470.db2.gz LZSYVVGBUUTPRL-UHFFFAOYSA-N 0 0 187.630 1.244 10 0 ADAERN Nc1ncc(F)c(N2CCCCC2)n1 87806192 574036494 /nfs/dbraw/zinc/03/64/94/574036494.db2.gz STZVHNSVJBWYKO-UHFFFAOYSA-N 0 0 196.229 1.188 10 0 ADAERN CNc1cc(N[C@H](C)C(C)C)ncn1 87801270 574036504 /nfs/dbraw/zinc/03/65/04/574036504.db2.gz WOYDMPQZLRARDZ-MRVPVSSYSA-N 0 0 194.282 1.975 10 0 ADAERN CNc1cncc(N[C@@H](C)C(C)C)n1 87801344 574036522 /nfs/dbraw/zinc/03/65/22/574036522.db2.gz MKMGDMUUNRCOLM-QMMMGPOBSA-N 0 0 194.282 1.975 10 0 ADAERN CNc1ncnc(N(C)C(C)C)c1C 87806169 574036544 /nfs/dbraw/zinc/03/65/44/574036544.db2.gz ICJNICVXPRKVNT-UHFFFAOYSA-N 0 0 194.282 1.671 10 0 ADAERN Cc1c(N)ncnc1N1CCCCC1 87806209 574036550 /nfs/dbraw/zinc/03/65/50/574036550.db2.gz TVNJBZTXFDNPPC-UHFFFAOYSA-N 0 0 192.266 1.358 10 0 ADAERN CCNc1ncc(F)c(NC2CC2)n1 87807096 574036563 /nfs/dbraw/zinc/03/65/63/574036563.db2.gz LMKGXIKXIALKEW-UHFFFAOYSA-N 0 0 196.229 1.622 10 0 ADAERN CCCNc1cncc(N(C)C)n1 87806443 574036568 /nfs/dbraw/zinc/03/65/68/574036568.db2.gz RJPRLSPMLIPXCQ-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN CC[C@@H](C)Nc1ncnc(N)c1C 87806957 574036571 /nfs/dbraw/zinc/03/65/71/574036571.db2.gz NBUQMXHRLOBSAU-ZCFIWIBFSA-N 0 0 180.255 1.578 10 0 ADAERN CCCNc1ccnc(NCC)n1 87806679 574036603 /nfs/dbraw/zinc/03/66/03/574036603.db2.gz HVHQLNDQSKYJGH-UHFFFAOYSA-N 0 0 180.255 1.730 10 0 ADAERN CCCNc1ncnc(N(C)C)c1C 87806481 574036618 /nfs/dbraw/zinc/03/66/18/574036618.db2.gz PJDGCFAYNFMFKG-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN Cc1[nH]c(CC(C)C)cc1C(N)=O 259292563 574036633 /nfs/dbraw/zinc/03/66/33/574036633.db2.gz SAGWEODGJOGYOT-UHFFFAOYSA-N 0 0 180.251 1.621 10 0 ADAERN CCCNc1nc(N)cn2ccnc12 87806623 574036644 /nfs/dbraw/zinc/03/66/44/574036644.db2.gz ZAQFQXYQBRYRSD-UHFFFAOYSA-N 0 0 191.238 1.133 10 0 ADAERN NNCc1cc2sccc2s1 87794696 574036653 /nfs/dbraw/zinc/03/66/53/574036653.db2.gz YJPVOKIQHMYTLS-UHFFFAOYSA-N 0 0 184.289 1.926 10 0 ADAERN CCCNc1ncc(F)c(N(C)C)n1 87806429 574036657 /nfs/dbraw/zinc/03/66/57/574036657.db2.gz KKOOCTQVUGKKDA-UHFFFAOYSA-N 0 0 198.245 1.504 10 0 ADAERN CCC(CC)Nc1nc(N)ncc1F 87807240 574036666 /nfs/dbraw/zinc/03/66/66/574036666.db2.gz UGESNSWYQQNRMH-UHFFFAOYSA-N 0 0 198.245 1.798 10 0 ADAERN CNc1ncc(C)c(NCC(C)C)n1 87807165 574036669 /nfs/dbraw/zinc/03/66/69/574036669.db2.gz PTCSHBXWFAKMIP-UHFFFAOYSA-N 0 0 194.282 1.895 10 0 ADAERN CCCNc1ncnc(NC)c1C 87806678 574036677 /nfs/dbraw/zinc/03/66/77/574036677.db2.gz LTOFFLUSTDSIEJ-UHFFFAOYSA-N 0 0 180.255 1.649 10 0 ADAERN CCCNc1cncc(NCC)n1 87806698 574037234 /nfs/dbraw/zinc/03/72/34/574037234.db2.gz UAHRHKYEILXBPY-UHFFFAOYSA-N 0 0 180.255 1.730 10 0 ADAERN CCN(CC)c1ncnc(NC)c1C 87805842 574036721 /nfs/dbraw/zinc/03/67/21/574036721.db2.gz YFNKKJNJLGWCOV-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN CCc1c(N)ncnc1NC1CC1 87807053 574036730 /nfs/dbraw/zinc/03/67/30/574036730.db2.gz ZJDYSAVSZAZXOE-UHFFFAOYSA-N 0 0 178.239 1.196 10 0 ADAERN [NH3+]Cc1cnoc1C[C@H]1CCCOC1 259290661 574036736 /nfs/dbraw/zinc/03/67/36/574036736.db2.gz QDGXMJUDLRFTOR-MRVPVSSYSA-N 0 0 196.250 1.102 10 0 ADAERN CC(C)[C@@H](C)Nc1cc(N)ncn1 87801213 574036739 /nfs/dbraw/zinc/03/67/39/574036739.db2.gz DYUJWIIJGMJMNG-SSDOTTSWSA-N 0 0 180.255 1.515 10 0 ADAERN COCCC(=O)[C@@H]1C[C@H]1C 686240721 574036747 /nfs/dbraw/zinc/03/67/47/574036747.db2.gz ORYMJZVTQOOYDC-RNFRBKRXSA-N 0 0 142.198 1.248 10 0 ADAERN Cc1sc(C(=O)[O-])cc1C[NH+](C)C 87794335 574036751 /nfs/dbraw/zinc/03/67/51/574036751.db2.gz ZIURGTFOAKAHBA-UHFFFAOYSA-N 0 0 199.275 1.816 10 0 ADAERN Nc1cnc(N[C@H]2C[C@@H]2C2CC2)s1 716976186 574036755 /nfs/dbraw/zinc/03/67/55/574036755.db2.gz IKFYRLDTVWJLCB-RQJHMYQMSA-N 0 0 195.291 1.936 10 0 ADAERN CC(C)Nc1nc(N)ncc1F 87806706 574036767 /nfs/dbraw/zinc/03/67/67/574036767.db2.gz VSXQQJVQJAFACD-UHFFFAOYSA-N 0 0 170.191 1.018 10 0 ADAERN CNc1ncnc(N(C)C)c1C(C)C 87806416 574036776 /nfs/dbraw/zinc/03/67/76/574036776.db2.gz GPSQEYCPWWYECX-UHFFFAOYSA-N 0 0 194.282 1.708 10 0 ADAERN Nc1cnc(N[C@@H]2C[C@@H]2C2CC2)s1 716976183 574036785 /nfs/dbraw/zinc/03/67/85/574036785.db2.gz IKFYRLDTVWJLCB-RNFRBKRXSA-N 0 0 195.291 1.936 10 0 ADAERN CCN(CC)c1nc(NC)ncc1F 87805814 574036788 /nfs/dbraw/zinc/03/67/88/574036788.db2.gz VOBAQVDVGFSQIW-UHFFFAOYSA-N 0 0 198.245 1.504 10 0 ADAERN Cn1nc(C[C@@H]2CCCS2)cc1N 259290618 574036790 /nfs/dbraw/zinc/03/67/90/574036790.db2.gz QDBBRHGTTUPWHR-QMMMGPOBSA-N 0 0 197.307 1.440 10 0 ADAERN CNc1cc(N(C)C(C)C)ncn1 87806133 574036799 /nfs/dbraw/zinc/03/67/99/574036799.db2.gz NVTIJRDVPCAUCS-UHFFFAOYSA-N 0 0 180.255 1.363 10 0 ADAERN Nc1ncc(Cl)c(N2CCCC2)n1 87805739 574036806 /nfs/dbraw/zinc/03/68/06/574036806.db2.gz JPKPLRJGLRTJGI-UHFFFAOYSA-N 0 0 198.657 1.312 10 0 ADAERN CC(C)(C)Nc1cc(N)ncn1 87801684 574036815 /nfs/dbraw/zinc/03/68/15/574036815.db2.gz XLAAQFNRXLSKHA-UHFFFAOYSA-N 0 0 166.228 1.269 10 0 ADAERN [NH3+]Cc1cnoc1C[C@@H]1CCCOC1 259290671 574036827 /nfs/dbraw/zinc/03/68/27/574036827.db2.gz QDGXMJUDLRFTOR-QMMMGPOBSA-N 0 0 196.250 1.102 10 0 ADAERN CCCNc1cncc(NC2CC2)n1 87807076 574036831 /nfs/dbraw/zinc/03/68/31/574036831.db2.gz JBQOUUUMOUVERJ-UHFFFAOYSA-N 0 0 192.266 1.873 10 0 ADAERN CNc1ncc(F)c(NC(C)(C)C)n1 87801724 574036859 /nfs/dbraw/zinc/03/68/59/574036859.db2.gz MVSKVLIQKHJVNQ-UHFFFAOYSA-N 0 0 198.245 1.868 10 0 ADAERN Cc1cnc(N)nc1NCC(C)C 87807169 574036869 /nfs/dbraw/zinc/03/68/69/574036869.db2.gz RMVVZZBWCFLQRS-UHFFFAOYSA-N 0 0 180.255 1.435 10 0 ADAERN CC(C)(C)Nc1ccnc(N)n1 87801811 574036889 /nfs/dbraw/zinc/03/68/89/574036889.db2.gz UUTZRTIOKGWHOC-UHFFFAOYSA-N 0 0 166.228 1.269 10 0 ADAERN CNc1ncc(C)c(NC2CC2)n1 87807087 574036911 /nfs/dbraw/zinc/03/69/11/574036911.db2.gz OPRNWTCHPZAADC-UHFFFAOYSA-N 0 0 178.239 1.401 10 0 ADAERN CC(=O)CCNc1ccc(C)nn1 259291881 574036915 /nfs/dbraw/zinc/03/69/15/574036915.db2.gz NTAPQHNZQICTJV-UHFFFAOYSA-N 0 0 179.223 1.176 10 0 ADAERN CCN[C@@H](c1coc(C)n1)C(F)F 686240654 574036919 /nfs/dbraw/zinc/03/69/19/574036919.db2.gz CTNITOQFONIWIF-ZETCQYMHSA-N 0 0 190.193 1.899 10 0 ADAERN CCNc1cc(NC2CC2)nc(N)n1 87807061 574036921 /nfs/dbraw/zinc/03/69/21/574036921.db2.gz SVXZIXSKIBBMPJ-UHFFFAOYSA-N 0 0 193.254 1.065 10 0 ADAERN CN[C@H](c1ccnc(C)n1)C(F)F 686240740 574036925 /nfs/dbraw/zinc/03/69/25/574036925.db2.gz TVYONXNXUXXPOB-SSDOTTSWSA-N 0 0 187.193 1.311 10 0 ADAERN CCN(CC)c1nc(N)ncc1F 87805795 574036926 /nfs/dbraw/zinc/03/69/26/574036926.db2.gz VCIJFTPMACJZKN-UHFFFAOYSA-N 0 0 184.218 1.044 10 0 ADAERN Cc1c(N)c(C2CCC2)nn1C 259292595 574036929 /nfs/dbraw/zinc/03/69/29/574036929.db2.gz SALWHXFOEBAVPW-UHFFFAOYSA-N 0 0 165.240 1.578 10 0 ADAERN CNc1ncc(F)c(N2CCCC2)n1 87805713 574036938 /nfs/dbraw/zinc/03/69/38/574036938.db2.gz LPUABAMYFBFLEC-UHFFFAOYSA-N 0 0 196.229 1.258 10 0 ADAERN CCNc1nccc(NCC(C)C)n1 87807174 574036945 /nfs/dbraw/zinc/03/69/45/574036945.db2.gz ZKHBAFVGBRMUIG-UHFFFAOYSA-N 0 0 194.282 1.976 10 0 ADAERN Nc1nc(Cl)cc(OC2CCC2)n1 87795685 574036951 /nfs/dbraw/zinc/03/69/51/574036951.db2.gz RGFMRHAKYANDME-UHFFFAOYSA-N 0 0 199.641 1.644 10 0 ADAERN CCN[C@@H](C(F)F)C1(OC)CCC1 686240656 574036953 /nfs/dbraw/zinc/03/69/53/574036953.db2.gz CYUCUNVKRSCORO-ZETCQYMHSA-N 0 0 193.237 1.799 10 0 ADAERN CC[C@H](C)Nc1cncc(NC)n1 87806974 574036957 /nfs/dbraw/zinc/03/69/57/574036957.db2.gz ZLIPLMIVCIUUJA-ZETCQYMHSA-N 0 0 180.255 1.729 10 0 ADAERN Cc1cc(C)nc([C@H](N)C(F)F)c1 686240704 574036961 /nfs/dbraw/zinc/03/69/61/574036961.db2.gz NUENSESHVUGDHW-QMMMGPOBSA-N 0 0 186.205 1.963 10 0 ADAERN C[C@@]1(CNC=O)CCCS1 87797655 574036964 /nfs/dbraw/zinc/03/69/64/574036964.db2.gz BDLAZMMJHKWECI-ZETCQYMHSA-N 0 0 159.254 1.018 10 0 ADAERN Cc1cnc(N)nc1N[C@@H](C)C(C)C 87801361 574036966 /nfs/dbraw/zinc/03/69/66/574036966.db2.gz NNUDIWXCRRSFMG-QMMMGPOBSA-N 0 0 194.282 1.824 10 0 ADAERN CNc1cncc(NC(C)C)n1 87806750 574036973 /nfs/dbraw/zinc/03/69/73/574036973.db2.gz XZWCMPDFNWHQOG-UHFFFAOYSA-N 0 0 166.228 1.339 10 0 ADAERN Cc1cc(C)nc([C@@H](N)C(F)F)c1 686240703 574036992 /nfs/dbraw/zinc/03/69/92/574036992.db2.gz NUENSESHVUGDHW-MRVPVSSYSA-N 0 0 186.205 1.963 10 0 ADAERN CCc1c(N)ncnc1NCC(C)C 87807135 574037002 /nfs/dbraw/zinc/03/70/02/574037002.db2.gz MLIZPCFJJBDXMJ-UHFFFAOYSA-N 0 0 194.282 1.689 10 0 ADAERN CCC(C)(C)Nc1nc(N)ncc1F 87801580 574037018 /nfs/dbraw/zinc/03/70/18/574037018.db2.gz FBRXOSJUYQCGBU-UHFFFAOYSA-N 0 0 198.245 1.798 10 0 ADAERN CNc1cncc(NC2CC2)n1 87807082 574037021 /nfs/dbraw/zinc/03/70/21/574037021.db2.gz NQWSQNBFVDUHNE-UHFFFAOYSA-N 0 0 164.212 1.093 10 0 ADAERN CNc1ncc(C)c(N(C)C(C)C)n1 87806160 574037036 /nfs/dbraw/zinc/03/70/36/574037036.db2.gz ZHDRBKWYHBDFID-UHFFFAOYSA-N 0 0 194.282 1.671 10 0 ADAERN Cc1noc(Cc2ccccc2O)n1 87797908 574037039 /nfs/dbraw/zinc/03/70/39/574037039.db2.gz FYVTURSIUCETMN-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN CCCNc1ncnc(N)c1C 87806657 574037042 /nfs/dbraw/zinc/03/70/42/574037042.db2.gz UWYLJZWPWOKLKX-UHFFFAOYSA-N 0 0 166.228 1.189 10 0 ADAERN CC(C)[C@@H](C)Nc1nc(N)ncc1F 87801217 574037049 /nfs/dbraw/zinc/03/70/49/574037049.db2.gz UAPHKTWEAWBLMO-ZCFIWIBFSA-N 0 0 198.245 1.654 10 0 ADAERN CC[C@@H](C)Nc1cc(NC)nc(N)n1 87807021 574037054 /nfs/dbraw/zinc/03/70/54/574037054.db2.gz BUVICSBGTLCSIB-ZCFIWIBFSA-N 0 0 195.270 1.311 10 0 ADAERN CC(C)c1c(N)ncnc1N(C)C 87806410 574037059 /nfs/dbraw/zinc/03/70/59/574037059.db2.gz GARVGBMJGVZIHU-UHFFFAOYSA-N 0 0 180.255 1.248 10 0 ADAERN CCNc1cc(NC(C)C)ncn1 87806742 574037065 /nfs/dbraw/zinc/03/70/65/574037065.db2.gz XWJUSCAFJWAOBI-UHFFFAOYSA-N 0 0 180.255 1.729 10 0 ADAERN C[C@@H]1CCN[C@@H](c2ccncn2)S1 85341880 574037071 /nfs/dbraw/zinc/03/70/71/574037071.db2.gz YHZDPPCRYOGUQT-VXNVDRBHSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1c(N)ncnc1NCC(C)C 87807153 574037073 /nfs/dbraw/zinc/03/70/73/574037073.db2.gz UVXWLOGHFYXTJP-UHFFFAOYSA-N 0 0 180.255 1.435 10 0 ADAERN CCN(CC)c1nc(NC)ncc1C 87805835 574037084 /nfs/dbraw/zinc/03/70/84/574037084.db2.gz NWAPICMVMNFUBQ-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN CCCNc1nc(N)ncc1Cl 87806675 574037092 /nfs/dbraw/zinc/03/70/92/574037092.db2.gz JGUHUGWRCJHLEG-UHFFFAOYSA-N 0 0 186.646 1.534 10 0 ADAERN CCN1C[C@H](c2cc[nH]c2)NC1=O 259291764 574037093 /nfs/dbraw/zinc/03/70/93/574037093.db2.gz FVVIXPROXURLHE-MRVPVSSYSA-N 0 0 179.223 1.101 10 0 ADAERN Nc1ncc(Cl)c(NC2CC2)n1 87807093 574037097 /nfs/dbraw/zinc/03/70/97/574037097.db2.gz GXUJLFWRIJFFIS-UHFFFAOYSA-N 0 0 184.630 1.287 10 0 ADAERN FC(F)C1=COCCC1 259291586 574037098 /nfs/dbraw/zinc/03/70/98/574037098.db2.gz MTUHRLWJSFZMAP-UHFFFAOYSA-N 0 0 134.125 1.946 10 0 ADAERN Cn1ccc2cc(N)c(N)cc21 259291137 574037108 /nfs/dbraw/zinc/03/71/08/574037108.db2.gz CWYUGCIYYWIWJY-UHFFFAOYSA-N 0 0 161.208 1.343 10 0 ADAERN CC(=O)C[C@@H](C)NC(=O)NCC1CC1 716972271 574037124 /nfs/dbraw/zinc/03/71/24/574037124.db2.gz SLJAJVOKNFAUSP-SSDOTTSWSA-N 0 0 198.266 1.063 10 0 ADAERN CCNc1cncc(N(C)C(C)C)n1 87806186 574037125 /nfs/dbraw/zinc/03/71/25/574037125.db2.gz QGOAHBFSBRAUGQ-UHFFFAOYSA-N 0 0 194.282 1.753 10 0 ADAERN CN[C@@H](c1ccnc(C)n1)C(F)F 686240742 574037138 /nfs/dbraw/zinc/03/71/38/574037138.db2.gz TVYONXNXUXXPOB-ZETCQYMHSA-N 0 0 187.193 1.311 10 0 ADAERN C[C@H]1CN[C@H](c2ccncn2)SC1 85337729 574037139 /nfs/dbraw/zinc/03/71/39/574037139.db2.gz BYDNESSDEBULOA-CBAPKCEASA-N 0 0 195.291 1.448 10 0 ADAERN CN1C(=O)C(=O)c2cc(F)c(F)cc21 87798672 574037141 /nfs/dbraw/zinc/03/71/41/574037141.db2.gz BWEYWQLNYXQASA-UHFFFAOYSA-N 0 0 197.140 1.124 10 0 ADAERN C[C@H](ON)c1cccc(O)c1 259292387 574037148 /nfs/dbraw/zinc/03/71/48/574037148.db2.gz BAPMWCADBUIHRH-LURJTMIESA-N 0 0 153.181 1.344 10 0 ADAERN CCCNc1nc(NCC)ncc1F 87806680 574037158 /nfs/dbraw/zinc/03/71/58/574037158.db2.gz SBTWEWZLFNGUIL-UHFFFAOYSA-N 0 0 198.245 1.869 10 0 ADAERN CC(=O)C[C@H](C)NC(=O)NCC1CC1 716972272 574037162 /nfs/dbraw/zinc/03/71/62/574037162.db2.gz SLJAJVOKNFAUSP-ZETCQYMHSA-N 0 0 198.266 1.063 10 0 ADAERN C[C@@H](ON)c1cccc(O)c1 259292390 574037171 /nfs/dbraw/zinc/03/71/71/574037171.db2.gz BAPMWCADBUIHRH-ZCFIWIBFSA-N 0 0 153.181 1.344 10 0 ADAERN OC[C@H](c1ccc(F)cc1)C1COC1 258470106 574037175 /nfs/dbraw/zinc/03/71/75/574037175.db2.gz AJCULNLDSJPPCD-LLVKDONJSA-N 0 0 196.221 1.548 10 0 ADAERN Cc1nc(C)c(CN2CCCO2)s1 306972561 574037178 /nfs/dbraw/zinc/03/71/78/574037178.db2.gz WCQUWVDFZDAZNU-UHFFFAOYSA-N 0 0 198.291 1.897 10 0 ADAERN C[C@H]1CCN[C@H](c2cncn2C)S1 85342250 574037193 /nfs/dbraw/zinc/03/71/93/574037193.db2.gz CZUPISJFQLQKTN-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN C[C@@H](Cc1ccccc1O)ON 259292347 574037201 /nfs/dbraw/zinc/03/72/01/574037201.db2.gz BAKJNYUIZHILQD-ZETCQYMHSA-N 0 0 167.208 1.214 10 0 ADAERN C[C@@H]1CCN[C@H](c2cnn(C)c2)S1 85342230 574037210 /nfs/dbraw/zinc/03/72/10/574037210.db2.gz XDIOIKPSPSVMSS-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN Cc1cccc(N(C)C)c1CON 259291826 574037211 /nfs/dbraw/zinc/03/72/11/574037211.db2.gz BYXPIYCSMSWFSO-UHFFFAOYSA-N 0 0 180.251 1.451 10 0 ADAERN CC(=O)[C@H](O)c1cc(F)ccc1F 259292240 574037217 /nfs/dbraw/zinc/03/72/17/574037217.db2.gz WGPKLGDLKNDFNX-VIFPVBQESA-N 0 0 186.157 1.587 10 0 ADAERN Nc1nccc(NCc2ccco2)n1 87806813 574038274 /nfs/dbraw/zinc/03/82/74/574038274.db2.gz MQGXRCZJZSKJBK-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN CNc1ncnc(N2CCCC2)c1C 87805741 574038276 /nfs/dbraw/zinc/03/82/76/574038276.db2.gz GLTIXFFMOSXILA-UHFFFAOYSA-N 0 0 192.266 1.427 10 0 ADAERN CCN(c1cc(NC)ncn1)C(C)C 87808948 574039133 /nfs/dbraw/zinc/03/91/33/574039133.db2.gz RWBNTMXAKKXMCS-UHFFFAOYSA-N 0 0 194.282 1.753 10 0 ADAERN CCCN[C@@H](c1cn[nH]c1)C(F)F 686240662 574038289 /nfs/dbraw/zinc/03/82/89/574038289.db2.gz GBTNXDRMFFZUSN-ZETCQYMHSA-N 0 0 189.209 1.716 10 0 ADAERN [NH3+][C@H](c1ccc[nH]1)C1(C(=O)[O-])CCC1 259295005 574038291 /nfs/dbraw/zinc/03/82/91/574038291.db2.gz HXPYAPIMPARTAU-MRVPVSSYSA-N 0 0 194.234 1.269 10 0 ADAERN CNc1nccc(N(C)C(C)C)n1 87806182 574038294 /nfs/dbraw/zinc/03/82/94/574038294.db2.gz PAQOBHVWUOIAEW-UHFFFAOYSA-N 0 0 180.255 1.363 10 0 ADAERN CCC[C@H](C)[C@H]1CC(=O)NC1=O 112557559 574038295 /nfs/dbraw/zinc/03/82/95/574038295.db2.gz CKCABHBZOQBGLF-NKWVEPMBSA-N 0 0 169.224 1.085 10 0 ADAERN CCCc1c(N)ncnc1NC(C)C 87806722 574038298 /nfs/dbraw/zinc/03/82/98/574038298.db2.gz DUJZWSXEFGOUSM-UHFFFAOYSA-N 0 0 194.282 1.832 10 0 ADAERN C[C@]1(CNC=O)CCCS1 87797653 574038315 /nfs/dbraw/zinc/03/83/15/574038315.db2.gz BDLAZMMJHKWECI-SSDOTTSWSA-N 0 0 159.254 1.018 10 0 ADAERN CC[C@H](C(C)C)[C@H]1CC(=O)NC1=O 112557551 574038318 /nfs/dbraw/zinc/03/83/18/574038318.db2.gz QJKZEDKWSBJISN-HTQZYQBOSA-N 0 0 183.251 1.331 10 0 ADAERN CCNc1cc(N(C)C(C)C)ncn1 87806148 574038323 /nfs/dbraw/zinc/03/83/23/574038323.db2.gz XMOAOBZKGRAHPA-UHFFFAOYSA-N 0 0 194.282 1.753 10 0 ADAERN CCCNc1nccc(N(C)C)n1 87806418 574038339 /nfs/dbraw/zinc/03/83/39/574038339.db2.gz DAHPNCXPPVCFAD-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN O=CO[C@H]1C=Cc2ccccc2[C@@H]1O 197924011 574038342 /nfs/dbraw/zinc/03/83/42/574038342.db2.gz VDUJYQAAPRPZFR-QWRGUYRKSA-N 0 0 190.198 1.288 10 0 ADAERN CCc1c(N)ncnc1N[C@@H](C)CC 87806923 574038344 /nfs/dbraw/zinc/03/83/44/574038344.db2.gz JHEMDJKYDHZZAE-ZETCQYMHSA-N 0 0 194.282 1.832 10 0 ADAERN CC[C@H](C)Nc1nc(NC)ncc1F 87806936 574038367 /nfs/dbraw/zinc/03/83/67/574038367.db2.gz PTIDUKRBBHRHGD-LURJTMIESA-N 0 0 198.245 1.868 10 0 ADAERN CC[C@@H](C)Nc1nc(NC)ncc1F 87806935 574038370 /nfs/dbraw/zinc/03/83/70/574038370.db2.gz PTIDUKRBBHRHGD-ZCFIWIBFSA-N 0 0 198.245 1.868 10 0 ADAERN Nc1cc(F)cc(O[C@@H]2CCOC2)c1 87800289 574038373 /nfs/dbraw/zinc/03/83/73/574038373.db2.gz RBIMQQHESFYGJI-SECBINFHSA-N 0 0 197.209 1.576 10 0 ADAERN C[C@@H]1CN[C@@H](C(F)(F)F)CSC1 85339108 574038377 /nfs/dbraw/zinc/03/83/77/574038377.db2.gz QUGNMRRUERCJPE-PHDIDXHHSA-N 0 0 199.241 1.890 10 0 ADAERN CCc1c(N)ncnc1N[C@H](C)CC 87806924 574038378 /nfs/dbraw/zinc/03/83/78/574038378.db2.gz JHEMDJKYDHZZAE-SSDOTTSWSA-N 0 0 194.282 1.832 10 0 ADAERN Cc1nccn1-c1cc(N)cc(F)c1 87799945 574038384 /nfs/dbraw/zinc/03/83/84/574038384.db2.gz WZSGDBAWLTVCIG-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN C[C@H]1CN[C@H](c2cnn(C)c2)SC1 85337242 574038395 /nfs/dbraw/zinc/03/83/95/574038395.db2.gz JUBLOBSUVGJOGG-CBAPKCEASA-N 0 0 197.307 1.391 10 0 ADAERN NNSc1cccc(Cl)c1 259292929 574038401 /nfs/dbraw/zinc/03/84/01/574038401.db2.gz SUSFKXYIHQOOFS-UHFFFAOYSA-N 0 0 174.656 1.810 10 0 ADAERN Cc1cnc(N)nc1N(C)C(C)C 87806165 574038402 /nfs/dbraw/zinc/03/84/02/574038402.db2.gz FXZOECFSTSGLTJ-UHFFFAOYSA-N 0 0 180.255 1.212 10 0 ADAERN CO[C@@H](C)C[C@H](O)Cc1ccoc1 128224795 574038403 /nfs/dbraw/zinc/03/84/03/574038403.db2.gz KUBNREDULJCHPH-WPRPVWTQSA-N 0 0 184.235 1.608 10 0 ADAERN CC(C)Nc1nc(N)ncc1Cl 87806759 574038409 /nfs/dbraw/zinc/03/84/09/574038409.db2.gz QLUJHIQRTHWOCS-UHFFFAOYSA-N 0 0 186.646 1.533 10 0 ADAERN CNc1cc(NC(C)(C)C)nc(N)n1 87801806 574038413 /nfs/dbraw/zinc/03/84/13/574038413.db2.gz WCENNRRAOVTKFF-UHFFFAOYSA-N 0 0 195.270 1.311 10 0 ADAERN CNc1cncc(N(C)C(C)C)n1 87806156 574038446 /nfs/dbraw/zinc/03/84/46/574038446.db2.gz FBCNKIRIAXFMBI-UHFFFAOYSA-N 0 0 180.255 1.363 10 0 ADAERN CC(=O)c1cc(C2CCC2)n[nH]1 258470547 574038465 /nfs/dbraw/zinc/03/84/65/574038465.db2.gz IFFGDXVGWKAYCX-UHFFFAOYSA-N 0 0 164.208 1.880 10 0 ADAERN CCNc1nccc(N(C)C(C)C)n1 87806170 574038477 /nfs/dbraw/zinc/03/84/77/574038477.db2.gz FRSGMYAHLHVNHD-UHFFFAOYSA-N 0 0 194.282 1.753 10 0 ADAERN CC1CCC([C@H]2CC(=O)NC2=O)CC1 112557252 574038496 /nfs/dbraw/zinc/03/84/96/574038496.db2.gz ZXZOYQJNIQUUBP-AMDVSUOASA-N 0 0 195.262 1.475 10 0 ADAERN CNc1ncnc(NC(C)C)c1C 87806762 574038501 /nfs/dbraw/zinc/03/85/01/574038501.db2.gz HKMQVLTZVOBHEU-UHFFFAOYSA-N 0 0 180.255 1.647 10 0 ADAERN CNc1ncc(F)c(N(C)C(C)C)n1 87806134 574038507 /nfs/dbraw/zinc/03/85/07/574038507.db2.gz FAKIVWBLXMIEQU-UHFFFAOYSA-N 0 0 198.245 1.502 10 0 ADAERN CNc1cncc(N[C@H](C)C(C)C)n1 87801341 574038511 /nfs/dbraw/zinc/03/85/11/574038511.db2.gz MKMGDMUUNRCOLM-MRVPVSSYSA-N 0 0 194.282 1.975 10 0 ADAERN CC[C@H](C)C[C@H]1CC(=O)NC1=O 112557356 574038513 /nfs/dbraw/zinc/03/85/13/574038513.db2.gz YAVUEJOHGUMQFJ-BQBZGAKWSA-N 0 0 169.224 1.085 10 0 ADAERN CCN(C)c1cc(Cl)nc(N)n1 87795732 574038514 /nfs/dbraw/zinc/03/85/14/574038514.db2.gz ICQCZBDTWACXLP-UHFFFAOYSA-N 0 0 186.646 1.168 10 0 ADAERN COCCC(=O)[C@H]1C[C@@H]1C 686240717 574038525 /nfs/dbraw/zinc/03/85/25/574038525.db2.gz ORYMJZVTQOOYDC-BQBZGAKWSA-N 0 0 142.198 1.248 10 0 ADAERN C[C@]1(CNC(N)=S)CCCS1 87796502 574038527 /nfs/dbraw/zinc/03/85/27/574038527.db2.gz LJZWXLHPSOVUQA-SSDOTTSWSA-N 0 0 190.337 1.105 10 0 ADAERN CCc1c(N)ncnc1N(C)C(C)C 87806128 574038529 /nfs/dbraw/zinc/03/85/29/574038529.db2.gz ACXAMFQHMBRIKA-UHFFFAOYSA-N 0 0 194.282 1.466 10 0 ADAERN O=CO[C@H]1C=Cc2ccccc2[C@H]1O 197924005 574038532 /nfs/dbraw/zinc/03/85/32/574038532.db2.gz VDUJYQAAPRPZFR-WDEREUQCSA-N 0 0 190.198 1.288 10 0 ADAERN C[C@@H]1CN[C@@H](c2cnn(C)c2)SC1 85337245 574038534 /nfs/dbraw/zinc/03/85/34/574038534.db2.gz JUBLOBSUVGJOGG-VXNVDRBHSA-N 0 0 197.307 1.391 10 0 ADAERN Nc1nc(Cl)cc(OCC2CC2)n1 87795624 574038543 /nfs/dbraw/zinc/03/85/43/574038543.db2.gz QZBQIHFLRFNEBQ-UHFFFAOYSA-N 0 0 199.641 1.501 10 0 ADAERN Fc1ccccc1[C@@H]1CCON1 258470543 574038550 /nfs/dbraw/zinc/03/85/50/574038550.db2.gz IFBFBXMDWPBXJP-VIFPVBQESA-N 0 0 167.183 1.792 10 0 ADAERN CNc1cc(NCC(C)C)nc(N)n1 87807186 574038551 /nfs/dbraw/zinc/03/85/51/574038551.db2.gz ZBYOZUFRNMHNKV-UHFFFAOYSA-N 0 0 195.270 1.168 10 0 ADAERN CO[C@@H](C)C[C@H](O)c1cnccc1C 128218010 574038552 /nfs/dbraw/zinc/03/85/52/574038552.db2.gz QZKDOUMYNWOJHU-ONGXEEELSA-N 0 0 195.262 1.848 10 0 ADAERN CCNc1ncnc(N(C)C)c1C 87806412 574038560 /nfs/dbraw/zinc/03/85/60/574038560.db2.gz BAVMWYYWRMKOME-UHFFFAOYSA-N 0 0 180.255 1.283 10 0 ADAERN CC(C)C[C@@H](C)[C@H]1CC(=O)NC1=O 112557561 574038567 /nfs/dbraw/zinc/03/85/67/574038567.db2.gz VGWXUMLTPSTMKK-HTQZYQBOSA-N 0 0 183.251 1.331 10 0 ADAERN CCN(CC)c1cncc(NC)n1 87805832 574038572 /nfs/dbraw/zinc/03/85/72/574038572.db2.gz DPMGKVCVJXAPHA-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN CNc1nc(OC)ncc1Cl 87798805 574038574 /nfs/dbraw/zinc/03/85/74/574038574.db2.gz JYAMNGMMXNKXSW-UHFFFAOYSA-N 0 0 173.603 1.180 10 0 ADAERN CCc1c(N)ncnc1NC(C)C 87806721 574038578 /nfs/dbraw/zinc/03/85/78/574038578.db2.gz WMILAVTUHHYADZ-UHFFFAOYSA-N 0 0 180.255 1.442 10 0 ADAERN CO[C@@H](C)C[C@H](O)c1cncc(F)c1 128231117 574038586 /nfs/dbraw/zinc/03/85/86/574038586.db2.gz OWJXHYMZQQSGAP-XVKPBYJWSA-N 0 0 199.225 1.679 10 0 ADAERN CCc1c(NC)ncnc1N(C)C 87806436 574038591 /nfs/dbraw/zinc/03/85/91/574038591.db2.gz LNPBHJVIESNZHL-UHFFFAOYSA-N 0 0 180.255 1.147 10 0 ADAERN CCCNc1nc(N)ncc1F 87806621 574038609 /nfs/dbraw/zinc/03/86/09/574038609.db2.gz SCWWHPAZQIWWRX-UHFFFAOYSA-N 0 0 170.191 1.020 10 0 ADAERN Cc1c(N)ncnc1N(C)C(C)C 87806147 574038612 /nfs/dbraw/zinc/03/86/12/574038612.db2.gz QVTMTEZBCZVRSW-UHFFFAOYSA-N 0 0 180.255 1.212 10 0 ADAERN CCc1c(NC)ncnc1NC1CC1 87807067 574038619 /nfs/dbraw/zinc/03/86/19/574038619.db2.gz SRQDQZNYVPQJMI-UHFFFAOYSA-N 0 0 192.266 1.655 10 0 ADAERN C[C@H](C1CCCC1)[C@@H]1CC(=O)NC1=O 112557499 574038621 /nfs/dbraw/zinc/03/86/21/574038621.db2.gz XDKADBNDOLXEOP-APPZFPTMSA-N 0 0 195.262 1.475 10 0 ADAERN CCC(C)(C)Nc1nc(N)ncc1C 87801646 574038644 /nfs/dbraw/zinc/03/86/44/574038644.db2.gz HYZYTTKEGSNQGG-UHFFFAOYSA-N 0 0 194.282 1.968 10 0 ADAERN CCC(C)(C)Nc1cc(N)nc(N)n1 87801635 574038656 /nfs/dbraw/zinc/03/86/56/574038656.db2.gz LSMLZBIKRZUOEP-UHFFFAOYSA-N 0 0 195.270 1.242 10 0 ADAERN C[C@H]1CN[C@H](C(F)(F)F)CSC1 85339105 574038668 /nfs/dbraw/zinc/03/86/68/574038668.db2.gz QUGNMRRUERCJPE-WDSKDSINSA-N 0 0 199.241 1.890 10 0 ADAERN CC(C)C[C@H](C)[C@H]1CC(=O)NC1=O 112557563 574038670 /nfs/dbraw/zinc/03/86/70/574038670.db2.gz VGWXUMLTPSTMKK-JGVFFNPUSA-N 0 0 183.251 1.331 10 0 ADAERN CO[C@H](C)C[C@H](O)c1cncc(F)c1 128231312 574038671 /nfs/dbraw/zinc/03/86/71/574038671.db2.gz OWJXHYMZQQSGAP-XCBNKYQSSA-N 0 0 199.225 1.679 10 0 ADAERN C[C@H]1CCN[C@@H](c2cnn(C)c2)S1 85342234 574038680 /nfs/dbraw/zinc/03/86/80/574038680.db2.gz XDIOIKPSPSVMSS-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN CCc1c(N)ncnc1NC(C)(C)C 87801713 574038686 /nfs/dbraw/zinc/03/86/86/574038686.db2.gz BYPVRLUKYDRVQV-UHFFFAOYSA-N 0 0 194.282 1.832 10 0 ADAERN C[C@@H]1CCN[C@@H](c2cnn(C)c2)S1 85342233 574038694 /nfs/dbraw/zinc/03/86/94/574038694.db2.gz XDIOIKPSPSVMSS-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN Cc1c(N)ncnc1NC1CCCC1 87807214 574038713 /nfs/dbraw/zinc/03/87/13/574038713.db2.gz MXDAXBKEYQHYCT-UHFFFAOYSA-N 0 0 192.266 1.722 10 0 ADAERN CCCNc1nc(NC)ncc1C 87806671 574038728 /nfs/dbraw/zinc/03/87/28/574038728.db2.gz LYCLFHBKRLDEFF-UHFFFAOYSA-N 0 0 180.255 1.649 10 0 ADAERN C[C@@]1(CNC(N)=S)CCCS1 87796504 574038743 /nfs/dbraw/zinc/03/87/43/574038743.db2.gz LJZWXLHPSOVUQA-ZETCQYMHSA-N 0 0 190.337 1.105 10 0 ADAERN Cc1cnc(N)nc1N1CCCCC1 87806219 574038768 /nfs/dbraw/zinc/03/87/68/574038768.db2.gz VCACSRGFCHHBOS-UHFFFAOYSA-N 0 0 192.266 1.358 10 0 ADAERN O=C1C[C@H](CC2CCCC2)C(=O)N1 112557300 574038773 /nfs/dbraw/zinc/03/87/73/574038773.db2.gz JUZGEUNBRMYVDG-QMMMGPOBSA-N 0 0 181.235 1.229 10 0 ADAERN C[NH2+][C@@H](C(C)C)[C@H](C)CC(=O)[O-] 259293978 574038784 /nfs/dbraw/zinc/03/87/84/574038784.db2.gz IUKNRAKZMOJLPP-APPZFPTMSA-N 0 0 173.256 1.341 10 0 ADAERN CCC1(C(C)(C)O)COC1 258470454 574038788 /nfs/dbraw/zinc/03/87/88/574038788.db2.gz AJUXCKXPKGJBIP-UHFFFAOYSA-N 0 0 144.214 1.184 10 0 ADAERN CO[C@H](C)C[C@H](O)c1cnccc1C 128217582 574038807 /nfs/dbraw/zinc/03/88/07/574038807.db2.gz QZKDOUMYNWOJHU-KOLCDFICSA-N 0 0 195.262 1.848 10 0 ADAERN CCCC(C)(C)C[C@H]([NH3+])C(=O)[O-] 258467981 574038821 /nfs/dbraw/zinc/03/88/21/574038821.db2.gz ABRAMURRXFSEGA-ZETCQYMHSA-N 0 0 173.256 1.615 10 0 ADAERN Nc1cccnc1N[C@H]1C[C@H]1C1CC1 716981076 574038834 /nfs/dbraw/zinc/03/88/34/574038834.db2.gz ZWPZWHNPFXZXKZ-WPRPVWTQSA-N 0 0 189.262 1.874 10 0 ADAERN C[C@H]1CN[C@@H](c2ccncn2)SC1 85337734 574038872 /nfs/dbraw/zinc/03/88/72/574038872.db2.gz BYDNESSDEBULOA-IONNQARKSA-N 0 0 195.291 1.448 10 0 ADAERN C[C@H](c1ccco1)[C@H]1CC(=O)NC1=O 112557567 574038876 /nfs/dbraw/zinc/03/88/76/574038876.db2.gz TYIAOWXQHVENLP-NKWVEPMBSA-N 0 0 193.202 1.046 10 0 ADAERN CC(C)CCN1C(=O)C[C@@H](CO)[C@@H]1C 259294264 574038889 /nfs/dbraw/zinc/03/88/89/574038889.db2.gz HESZRJICMOTQKS-UWVGGRQHSA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)CCN1C(=O)C[C@@H](CO)[C@H]1C 259294269 574038891 /nfs/dbraw/zinc/03/88/91/574038891.db2.gz HESZRJICMOTQKS-ZJUUUORDSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@@H](C(C)C)[C@H]1CC(=O)NC1=O 112557552 574038903 /nfs/dbraw/zinc/03/89/03/574038903.db2.gz QJKZEDKWSBJISN-JGVFFNPUSA-N 0 0 183.251 1.331 10 0 ADAERN O=CO[C@@H]1C=Cc2ccccc2[C@@H]1O 197924015 574038906 /nfs/dbraw/zinc/03/89/06/574038906.db2.gz VDUJYQAAPRPZFR-MNOVXSKESA-N 0 0 190.198 1.288 10 0 ADAERN c1ccc2c(c1)C[C@@H]2Nc1cnccn1 393610718 574038911 /nfs/dbraw/zinc/03/89/11/574038911.db2.gz OKEHBCGRDXVOTI-NSHDSACASA-N 0 0 197.241 1.608 10 0 ADAERN CCC(CC)C[C@@H]([NH2+]C)c1cnn[nH]1 128223133 574038915 /nfs/dbraw/zinc/03/89/15/574038915.db2.gz PEYBTKKAUKZUGT-SECBINFHSA-N 0 0 196.298 1.892 10 0 ADAERN CCCC(C)(C)C[C@@H]([NH3+])C(=O)[O-] 258467977 574038949 /nfs/dbraw/zinc/03/89/49/574038949.db2.gz ABRAMURRXFSEGA-SSDOTTSWSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H]1CCN[C@H](c2cncn2C)S1 85342247 574038952 /nfs/dbraw/zinc/03/89/52/574038952.db2.gz CZUPISJFQLQKTN-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN CCC[C@@H](C)Nc1cc(N)nc(N)n1 87807715 574038971 /nfs/dbraw/zinc/03/89/71/574038971.db2.gz MXIQWSLFTSNRCR-ZCFIWIBFSA-N 0 0 195.270 1.242 10 0 ADAERN [NH3+][C@@H](c1ccc[nH]1)C1(C(=O)[O-])CCC1 259295012 574038987 /nfs/dbraw/zinc/03/89/87/574038987.db2.gz HXPYAPIMPARTAU-QMMMGPOBSA-N 0 0 194.234 1.269 10 0 ADAERN CN(c1ccnc(N)n1)C1CCCC1 87809044 574039009 /nfs/dbraw/zinc/03/90/09/574039009.db2.gz XBSKPXWCRASWHH-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN O=C1C[C@H](C(C2CC2)C2CC2)C(=O)N1 112557425 574039010 /nfs/dbraw/zinc/03/90/10/574039010.db2.gz LVBHQCAUPDWHJJ-MRVPVSSYSA-N 0 0 193.246 1.085 10 0 ADAERN C[C@@H]1CN[C@H](c2cnn(C)c2)SC1 85337241 574039020 /nfs/dbraw/zinc/03/90/20/574039020.db2.gz JUBLOBSUVGJOGG-APPZFPTMSA-N 0 0 197.307 1.391 10 0 ADAERN CNc1nccc(N(C)CC(C)C)n1 87809298 574039059 /nfs/dbraw/zinc/03/90/59/574039059.db2.gz RZAOICAUBFOXBC-UHFFFAOYSA-N 0 0 194.282 1.611 10 0 ADAERN C[C@H]1CN[C@@H](c2cnn(C)c2)SC1 85337247 574039074 /nfs/dbraw/zinc/03/90/74/574039074.db2.gz JUBLOBSUVGJOGG-IONNQARKSA-N 0 0 197.307 1.391 10 0 ADAERN C[NH2+][C@H](C(C)C)[C@@H](C)CC(=O)[O-] 259293985 574039077 /nfs/dbraw/zinc/03/90/77/574039077.db2.gz IUKNRAKZMOJLPP-IONNQARKSA-N 0 0 173.256 1.341 10 0 ADAERN Cc1cnc(N)nc1NCCC(C)C 87808046 574039078 /nfs/dbraw/zinc/03/90/78/574039078.db2.gz YXGXCKLMEWIAFM-UHFFFAOYSA-N 0 0 194.282 1.825 10 0 ADAERN CNc1nccc(NCC2CCC2)n1 87809890 574039088 /nfs/dbraw/zinc/03/90/88/574039088.db2.gz MSFIRYVKXGAION-UHFFFAOYSA-N 0 0 192.266 1.730 10 0 ADAERN CCCCNc1nc(NC)ncc1F 87807906 574041170 /nfs/dbraw/zinc/04/11/70/574041170.db2.gz ZCMWECJXOUQSGX-UHFFFAOYSA-N 0 0 198.245 1.869 10 0 ADAERN CCN(c1cc(N)ncn1)C(C)C 87808933 574042233 /nfs/dbraw/zinc/04/22/33/574042233.db2.gz WVQGEJYXZDDNIQ-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN CC[C@@]1(C)C[C@H]1c1nc(CNC)no1 393611841 574042235 /nfs/dbraw/zinc/04/22/35/574042235.db2.gz ICQIAQHJRFUXLN-XVKPBYJWSA-N 0 0 195.266 1.693 10 0 ADAERN CCNc1ncnc(NCC)c1CC 87807425 574041182 /nfs/dbraw/zinc/04/11/82/574041182.db2.gz IXJZZEPWRGHATR-UHFFFAOYSA-N 0 0 194.282 1.903 10 0 ADAERN Cc1cccc(-c2nncnc2N)c1 259295997 574041195 /nfs/dbraw/zinc/04/11/95/574041195.db2.gz SHGCLMXSXOMEFU-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[C@@H](C)N(C)c1cc(NC)ncn1 87809336 574041247 /nfs/dbraw/zinc/04/12/47/574041247.db2.gz BDRBGFZNIFEOHI-MRVPVSSYSA-N 0 0 194.282 1.753 10 0 ADAERN CCCNc1nccc(NCC)n1 87807427 574041256 /nfs/dbraw/zinc/04/12/56/574041256.db2.gz OJNCIYKUZPAFLQ-UHFFFAOYSA-N 0 0 180.255 1.730 10 0 ADAERN CCNc1ncnc(N)c1CC 87807431 574041272 /nfs/dbraw/zinc/04/12/72/574041272.db2.gz SZOMZNDQYXQGLP-UHFFFAOYSA-N 0 0 166.228 1.053 10 0 ADAERN CCNc1cc(NC)nc(SC)n1 87807355 574041306 /nfs/dbraw/zinc/04/13/06/574041306.db2.gz BRKCNWXLNMZLTG-UHFFFAOYSA-N 0 0 198.295 1.672 10 0 ADAERN Cc1cnc2ccc(=O)c(N)c-2[nH]1 259295825 574041309 /nfs/dbraw/zinc/04/13/09/574041309.db2.gz BDNFIUGKORISKL-UHFFFAOYSA-N 0 0 175.191 1.226 10 0 ADAERN O=Cc1cc([C@@H]2CCCO2)on1 259294408 574041326 /nfs/dbraw/zinc/04/13/26/574041326.db2.gz QINHQUPRXCFZMD-ZETCQYMHSA-N 0 0 167.164 1.339 10 0 ADAERN CCN(c1nc(N)ncc1C)C1CC1 87808833 574041336 /nfs/dbraw/zinc/04/13/36/574041336.db2.gz WXOOVAWMCCMBJF-UHFFFAOYSA-N 0 0 192.266 1.356 10 0 ADAERN CCNc1ncc(C)c(NC)n1 87807360 574041351 /nfs/dbraw/zinc/04/13/51/574041351.db2.gz CBLKRNJCZXQNCE-UHFFFAOYSA-N 0 0 166.228 1.259 10 0 ADAERN CCNc1ncc(F)c(N(C)CC)n1 87808766 574041402 /nfs/dbraw/zinc/04/14/02/574041402.db2.gz CSEJVTNOXCNTBT-UHFFFAOYSA-N 0 0 198.245 1.504 10 0 ADAERN CNc1cncc(NCC2CCC2)n1 87809856 574041430 /nfs/dbraw/zinc/04/14/30/574041430.db2.gz OOLDEHQWBIXXJD-UHFFFAOYSA-N 0 0 192.266 1.730 10 0 ADAERN CCN(c1cncc(NC)n1)C(C)C 87808966 574041441 /nfs/dbraw/zinc/04/14/41/574041441.db2.gz DTDZQFOESMCBBQ-UHFFFAOYSA-N 0 0 194.282 1.753 10 0 ADAERN Cc1oc(N)nc1-c1ccc[nH]1 259294495 574041447 /nfs/dbraw/zinc/04/14/47/574041447.db2.gz WKLFUXXYKHECGS-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CCN(c1ccnc(NC)n1)C(C)C 87808983 574041463 /nfs/dbraw/zinc/04/14/63/574041463.db2.gz QEOVGBWFTDUQIC-UHFFFAOYSA-N 0 0 194.282 1.753 10 0 ADAERN CNc1ncnc(N)c1C(C)C 87807298 574041488 /nfs/dbraw/zinc/04/14/88/574041488.db2.gz XIBBSFIWZPPRHA-UHFFFAOYSA-N 0 0 166.228 1.224 10 0 ADAERN CCNc1ncnc(N(C)CC)c1C 87808704 574041495 /nfs/dbraw/zinc/04/14/95/574041495.db2.gz YUCJGUYTICDACV-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN CCN(C)c1ncnc(NC)c1C 87808764 574041520 /nfs/dbraw/zinc/04/15/20/574041520.db2.gz MVXZYUWDRBTVNA-UHFFFAOYSA-N 0 0 180.255 1.283 10 0 ADAERN CCCN(C)c1nc(N)ncc1F 87809170 574041542 /nfs/dbraw/zinc/04/15/42/574041542.db2.gz ISVFRUNOWHEVAE-UHFFFAOYSA-N 0 0 184.218 1.044 10 0 ADAERN CC[C@H]1CS[C@H](C)[NH2+]1 85347159 574041557 /nfs/dbraw/zinc/04/15/57/574041557.db2.gz WTVANKKUWLHZKO-RITPCOANSA-N 0 0 131.244 1.447 10 0 ADAERN CCCNc1ncc(C)c(NC)n1 87807361 574041571 /nfs/dbraw/zinc/04/15/71/574041571.db2.gz MAFIODVRYUBQOR-UHFFFAOYSA-N 0 0 180.255 1.649 10 0 ADAERN COc1ccc(SNN)c(C)c1 259295584 574041622 /nfs/dbraw/zinc/04/16/22/574041622.db2.gz TWDJSYKTBCOOLI-UHFFFAOYSA-N 0 0 184.264 1.474 10 0 ADAERN CCCCNc1nc(N)ncc1F 87807886 574041686 /nfs/dbraw/zinc/04/16/86/574041686.db2.gz QMJVXKPWJLKSMS-UHFFFAOYSA-N 0 0 184.218 1.410 10 0 ADAERN COc1ccc([C@H](N)C(C)=O)cc1C 259297503 574041723 /nfs/dbraw/zinc/04/17/23/574041723.db2.gz NDVISMPVGQXMKA-LLVKDONJSA-N 0 0 193.246 1.592 10 0 ADAERN COc1ccc(C2(OC)COC2)cc1 258468090 574041744 /nfs/dbraw/zinc/04/17/44/574041744.db2.gz ABYVNOKWNFGVIK-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN COc1ccc([C@@H](N)C(C)=O)cc1C 259297508 574041747 /nfs/dbraw/zinc/04/17/47/574041747.db2.gz NDVISMPVGQXMKA-NSHDSACASA-N 0 0 193.246 1.592 10 0 ADAERN CC[C@H](C)N(C)c1nc(N)ncc1C 87809383 574041806 /nfs/dbraw/zinc/04/18/06/574041806.db2.gz NYNZILZUKMUYLB-QMMMGPOBSA-N 0 0 194.282 1.602 10 0 ADAERN CCNc1cc(N(C)C2CC2)ncn1 87808889 574041824 /nfs/dbraw/zinc/04/18/24/574041824.db2.gz SDALBDKWCXSQLW-UHFFFAOYSA-N 0 0 192.266 1.507 10 0 ADAERN CNc1nccc(NCC2CC2)n1 87807618 574041881 /nfs/dbraw/zinc/04/18/81/574041881.db2.gz OTYHBKBDWCPUBC-UHFFFAOYSA-N 0 0 178.239 1.340 10 0 ADAERN CCNc1ncnc(N)c1C(C)C 87807423 574041889 /nfs/dbraw/zinc/04/18/89/574041889.db2.gz MKUZEELADQKUDF-UHFFFAOYSA-N 0 0 180.255 1.614 10 0 ADAERN Cc1cc(C(C)C)nc(CCO)n1 259295451 574041892 /nfs/dbraw/zinc/04/18/92/574041892.db2.gz MUKXDTOIKCRPHE-UHFFFAOYSA-N 0 0 180.251 1.443 10 0 ADAERN CCC[C@@H](C)Nc1nc(N)ncc1C 87807729 574041898 /nfs/dbraw/zinc/04/18/98/574041898.db2.gz AXEGIMZYJZWONL-MRVPVSSYSA-N 0 0 194.282 1.968 10 0 ADAERN CCN(c1nc(N)ncc1F)C(C)C 87808934 574041923 /nfs/dbraw/zinc/04/19/23/574041923.db2.gz DVMBJJCUDLSXBQ-UHFFFAOYSA-N 0 0 198.245 1.433 10 0 ADAERN CCCc1c(N)ncnc1NC 87807311 574041940 /nfs/dbraw/zinc/04/19/40/574041940.db2.gz TXLOSSCGQHUDKS-UHFFFAOYSA-N 0 0 166.228 1.053 10 0 ADAERN CCCCNc1cc(NC)nc(N)n1 87807949 574041948 /nfs/dbraw/zinc/04/19/48/574041948.db2.gz SMEBAPAZIWZOAR-UHFFFAOYSA-N 0 0 195.270 1.313 10 0 ADAERN CC(C)c1csc(CNN)n1 259294777 574041949 /nfs/dbraw/zinc/04/19/49/574041949.db2.gz NXLYMYZXCDMJTF-UHFFFAOYSA-N 0 0 171.269 1.230 10 0 ADAERN CCNc1cn2ccnc2c(NC)n1 87807365 574041956 /nfs/dbraw/zinc/04/19/56/574041956.db2.gz ASUDMTJOGJAANI-UHFFFAOYSA-N 0 0 191.238 1.203 10 0 ADAERN CC1(C)Nc2cccc(F)c2OC1=O 259294392 574041972 /nfs/dbraw/zinc/04/19/72/574041972.db2.gz QHKFOOXRUWALRY-UHFFFAOYSA-N 0 0 195.193 1.935 10 0 ADAERN CCc1c(NC)ncnc1NC 87807324 574041976 /nfs/dbraw/zinc/04/19/76/574041976.db2.gz FFWNWGXAZZNMDM-UHFFFAOYSA-N 0 0 166.228 1.122 10 0 ADAERN CCC[C@H](C)Nc1ncnc(N)c1C 87807704 574041983 /nfs/dbraw/zinc/04/19/83/574041983.db2.gz HSUFYBHOGQVWCH-ZETCQYMHSA-N 0 0 194.282 1.968 10 0 ADAERN CNC1(c2cccc(F)c2)COC1 258468115 574041999 /nfs/dbraw/zinc/04/19/99/574041999.db2.gz ACIPBUVVUZINQD-UHFFFAOYSA-N 0 0 181.210 1.271 10 0 ADAERN CNc1cncc(NCCC(C)C)n1 87808041 574042049 /nfs/dbraw/zinc/04/20/49/574042049.db2.gz HVIWVZZWHJCBJO-UHFFFAOYSA-N 0 0 194.282 1.976 10 0 ADAERN CCC(=O)C[C@@H]1OC(=O)C[C@@H]1C 209655036 574042055 /nfs/dbraw/zinc/04/20/55/574042055.db2.gz PTZXSEJQYDHSJN-XPUUQOCRSA-N 0 0 170.208 1.307 10 0 ADAERN CC[C@]1(C)C[C@@H]1c1nc(CNC)no1 393611826 574042060 /nfs/dbraw/zinc/04/20/60/574042060.db2.gz ICQIAQHJRFUXLN-GMSGAONNSA-N 0 0 195.266 1.693 10 0 ADAERN O=Cc1cc([C@H]2CCCO2)on1 259294407 574042076 /nfs/dbraw/zinc/04/20/76/574042076.db2.gz QINHQUPRXCFZMD-SSDOTTSWSA-N 0 0 167.164 1.339 10 0 ADAERN Nc1ncc(F)c(NCC2CCC2)n1 87809792 574042085 /nfs/dbraw/zinc/04/20/85/574042085.db2.gz PCZYJQFODFETCC-UHFFFAOYSA-N 0 0 196.229 1.410 10 0 ADAERN CCCN(C)c1cncc(NC)n1 87809214 574042089 /nfs/dbraw/zinc/04/20/89/574042089.db2.gz GYWPRCRKLBJBOJ-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN CN1C[C@H](C2CCCC2)NC1=O 259294947 574042097 /nfs/dbraw/zinc/04/20/97/574042097.db2.gz FYEWWHKKNUUPLI-MRVPVSSYSA-N 0 0 168.240 1.200 10 0 ADAERN Cc1ccccc1C[C@H](C)ON 259295924 574042110 /nfs/dbraw/zinc/04/21/10/574042110.db2.gz BEODJIWMPPJGLK-VIFPVBQESA-N 0 0 165.236 1.816 10 0 ADAERN CO[C@H](C)C[C@@H](O)c1cncc(F)c1 128231759 574042121 /nfs/dbraw/zinc/04/21/21/574042121.db2.gz OWJXHYMZQQSGAP-GMSGAONNSA-N 0 0 199.225 1.679 10 0 ADAERN NC(=O)N[C@@H]1CCC=CCCC1 238596469 574042137 /nfs/dbraw/zinc/04/21/37/574042137.db2.gz MTONLEIIJGKOEI-MRVPVSSYSA-N 0 0 168.240 1.544 10 0 ADAERN CCCCNc1cncc(NC)n1 87807925 574042167 /nfs/dbraw/zinc/04/21/67/574042167.db2.gz HBPCYYKOOAXKFJ-UHFFFAOYSA-N 0 0 180.255 1.730 10 0 ADAERN Cc1c(N)ncnc1NCC1CC1 87807583 574042208 /nfs/dbraw/zinc/04/22/08/574042208.db2.gz KNAJBPHIRNJBBE-UHFFFAOYSA-N 0 0 178.239 1.189 10 0 ADAERN CNc1cncc(N(C)CC2CC2)n1 87820480 574043239 /nfs/dbraw/zinc/04/32/39/574043239.db2.gz YJYFKTWQGKCVJU-UHFFFAOYSA-N 0 0 192.266 1.365 10 0 ADAERN Cc1c(N)ncnc1N[C@H](C)C1CC1 87811900 574043306 /nfs/dbraw/zinc/04/33/06/574043306.db2.gz YZQJGLQNERYIEH-SSDOTTSWSA-N 0 0 192.266 1.578 10 0 ADAERN CNc1cc(N[C@@H]2CC2(C)C)ncn1 87825717 574043314 /nfs/dbraw/zinc/04/33/14/574043314.db2.gz OCYDZIZOVSOWCB-SSDOTTSWSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@@H]1CCN(c2nc(N)ncc2F)C1 87820765 574043332 /nfs/dbraw/zinc/04/33/32/574043332.db2.gz XDSSNXUNWHVRRY-ZCFIWIBFSA-N 0 0 196.229 1.044 10 0 ADAERN CC1N=NC(=S)N1[C@H]1C[C@@H]1C1CC1 716988250 574043352 /nfs/dbraw/zinc/04/33/52/574043352.db2.gz ROGGCBLTMDFAHM-SFYZADRCSA-N 0 0 195.291 1.846 10 0 ADAERN CCNc1cc(N[C@H]2C[C@@H]2C)ncn1 87827468 574043370 /nfs/dbraw/zinc/04/33/70/574043370.db2.gz BMGUOGBDUNMPBW-YUMQZZPRSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1cc(N)ncn1 87830366 574043378 /nfs/dbraw/zinc/04/33/78/574043378.db2.gz ZHCIFIZZRRMPQM-SFYZADRCSA-N 0 0 192.266 1.151 10 0 ADAERN CC1N=NC(=S)N1[C@@H]1C[C@@H]1C1CC1 716988243 574043393 /nfs/dbraw/zinc/04/33/93/574043393.db2.gz ROGGCBLTMDFAHM-HTQZYQBOSA-N 0 0 195.291 1.846 10 0 ADAERN CC[C@H](C)CNc1cc(NC)ncn1 87828152 574043394 /nfs/dbraw/zinc/04/33/94/574043394.db2.gz BFAQTEGHTYWYSJ-QMMMGPOBSA-N 0 0 194.282 1.976 10 0 ADAERN CNc1cc(N[C@@H]2C[C@H]2C)ncn1 87827352 574043925 /nfs/dbraw/zinc/04/39/25/574043925.db2.gz QCBLXAYKDZMOCQ-RNFRBKRXSA-N 0 0 178.239 1.339 10 0 ADAERN CC1N=NC(=S)N1[C@@H]1C[C@H]1C1CC1 716988247 574043402 /nfs/dbraw/zinc/04/34/02/574043402.db2.gz ROGGCBLTMDFAHM-JGVFFNPUSA-N 0 0 195.291 1.846 10 0 ADAERN CNc1cncc(N2CCC[C@@H]2C)n1 87820198 574043404 /nfs/dbraw/zinc/04/34/04/574043404.db2.gz RNDGHLUHRRVLPF-QMMMGPOBSA-N 0 0 192.266 1.507 10 0 ADAERN CC[C@H]1CCCN1c1cc(N)ncn1 87820291 574043430 /nfs/dbraw/zinc/04/34/30/574043430.db2.gz VVWADKMOMRTYNO-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H]1Nc2ccc(O)cc2N(C)C1=O 259297737 574043442 /nfs/dbraw/zinc/04/34/42/574043442.db2.gz QNJGUDFUNRYWSM-ZCFIWIBFSA-N 0 0 192.218 1.169 10 0 ADAERN CNc1ncc(F)c(N[C@@H]2C[C@@H]2C)n1 87827362 574043490 /nfs/dbraw/zinc/04/34/90/574043490.db2.gz AIHQJBREKNPIEY-CAHLUQPWSA-N 0 0 196.229 1.478 10 0 ADAERN CNc1cncc(N[C@H](C)C2CC2)n1 87811930 574043493 /nfs/dbraw/zinc/04/34/93/574043493.db2.gz QRVWZHNZNDBCET-SSDOTTSWSA-N 0 0 192.266 1.729 10 0 ADAERN Cc1c(N)ncnc1N(C)CC1CC1 87820467 574043522 /nfs/dbraw/zinc/04/35/22/574043522.db2.gz QFUXGFIABIYHHC-UHFFFAOYSA-N 0 0 192.266 1.213 10 0 ADAERN Cc1cnc(N)nc1N[C@H]1CC1(C)C 87825806 574043530 /nfs/dbraw/zinc/04/35/30/574043530.db2.gz MVAKLNHJKXAEAT-ZETCQYMHSA-N 0 0 192.266 1.578 10 0 ADAERN CC(C)(C)CNc1nc(N)ncc1F 87820588 574043538 /nfs/dbraw/zinc/04/35/38/574043538.db2.gz MDUPBGVXUHBZKC-UHFFFAOYSA-N 0 0 198.245 1.656 10 0 ADAERN CC[C@@H]1CCCN1c1cc(N)ncn1 87820289 574043555 /nfs/dbraw/zinc/04/35/55/574043555.db2.gz VVWADKMOMRTYNO-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN CC[C@H](C)CNc1ncnc(N)c1C 87828192 574043563 /nfs/dbraw/zinc/04/35/63/574043563.db2.gz IIDMGYIDPJGOAV-ZETCQYMHSA-N 0 0 194.282 1.825 10 0 ADAERN Clc1cnc(-c2nc[nH]n2)s1 85352244 574043576 /nfs/dbraw/zinc/04/35/76/574043576.db2.gz KPTPHBJYIWFBQL-UHFFFAOYSA-N 0 0 186.627 1.582 10 0 ADAERN CC[N@@H+]1C[C@H](CC(=O)[O-])CC1(C)C 259297002 574043581 /nfs/dbraw/zinc/04/35/81/574043581.db2.gz HHPBVUVYDLPHSC-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H]1C[C@H]1Nc1nc(N)ncc1Cl 87827609 574043589 /nfs/dbraw/zinc/04/35/89/574043589.db2.gz QHERBOFFFAPIMG-UJURSFKZSA-N 0 0 198.657 1.533 10 0 ADAERN NN=c1[nH]cc(Br)s1 85352184 574043623 /nfs/dbraw/zinc/04/36/23/574043623.db2.gz ZLAPLANYUXSVJX-UHFFFAOYSA-N 0 0 194.057 1.191 10 0 ADAERN CC[C@@H](C)CNc1nc(N)ncc1F 87828094 574043633 /nfs/dbraw/zinc/04/36/33/574043633.db2.gz LHHVWJFWVCSQQR-ZCFIWIBFSA-N 0 0 198.245 1.656 10 0 ADAERN CC[N@@H+]1C[C@@H](CC(=O)[O-])CC1(C)C 259297003 574043659 /nfs/dbraw/zinc/04/36/59/574043659.db2.gz HHPBVUVYDLPHSC-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CCNc1nccc(N[C@H]2C[C@H]2C)n1 87827640 574043688 /nfs/dbraw/zinc/04/36/88/574043688.db2.gz UMTJJZKMBJQZLM-SFYZADRCSA-N 0 0 192.266 1.729 10 0 ADAERN CC[C@H]1CCCN1c1ccnc(N)n1 87820408 574043691 /nfs/dbraw/zinc/04/36/91/574043691.db2.gz KWTWKAYYXSMILS-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN Cc1c(N)ncnc1N[C@@H](C)C1CC1 87811898 574043695 /nfs/dbraw/zinc/04/36/95/574043695.db2.gz YZQJGLQNERYIEH-ZETCQYMHSA-N 0 0 192.266 1.578 10 0 ADAERN CC1(C)C[C@@H]1Nc1nc(N)ncc1F 87825660 574043716 /nfs/dbraw/zinc/04/37/16/574043716.db2.gz WIQGOEYWTCDZCW-LURJTMIESA-N 0 0 196.229 1.408 10 0 ADAERN CNc1nccc(N[C@@H]2C[C@@H]2C)n1 87827734 574043725 /nfs/dbraw/zinc/04/37/25/574043725.db2.gz OVJTZTWJDNVOGI-NKWVEPMBSA-N 0 0 178.239 1.339 10 0 ADAERN CNc1nccc(N[C@@H]2C[C@H]2C)n1 87827732 574043736 /nfs/dbraw/zinc/04/37/36/574043736.db2.gz OVJTZTWJDNVOGI-RNFRBKRXSA-N 0 0 178.239 1.339 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1ccnc(N)n1 87830452 574043746 /nfs/dbraw/zinc/04/37/46/574043746.db2.gz OWTPZXCNAHGOHX-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1cc(N)ncn1 87830367 574043755 /nfs/dbraw/zinc/04/37/55/574043755.db2.gz ZHCIFIZZRRMPQM-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN CNc1nccc(N[C@@H]2CC2(C)C)n1 87825857 574043761 /nfs/dbraw/zinc/04/37/61/574043761.db2.gz APDXXWKRKDAOPP-SSDOTTSWSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1cncc(NCC(C)(C)C)n1 87820658 574043765 /nfs/dbraw/zinc/04/37/65/574043765.db2.gz KGQXSWILWDEATI-UHFFFAOYSA-N 0 0 194.282 1.976 10 0 ADAERN CNc1cc(N[C@H]2C[C@H]2C)ncn1 87827348 574043772 /nfs/dbraw/zinc/04/37/72/574043772.db2.gz QCBLXAYKDZMOCQ-RQJHMYQMSA-N 0 0 178.239 1.339 10 0 ADAERN CNc1ncnc(N[C@@H]2C[C@@H]2C)c1C 87827626 574043778 /nfs/dbraw/zinc/04/37/78/574043778.db2.gz JNCBZCMDQJNBKC-POYBYMJQSA-N 0 0 192.266 1.647 10 0 ADAERN CCOC[C@H](O)C[C@H]1CCCCO1 128249719 574043784 /nfs/dbraw/zinc/04/37/84/574043784.db2.gz MIHUXVOOOPGLHP-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CC1(C)C[C@H]1Nc1nc(N)ncc1F 87825662 574043809 /nfs/dbraw/zinc/04/38/09/574043809.db2.gz WIQGOEYWTCDZCW-ZCFIWIBFSA-N 0 0 196.229 1.408 10 0 ADAERN Cc1c(N)ncnc1NCC(C)(C)C 87820642 574043815 /nfs/dbraw/zinc/04/38/15/574043815.db2.gz DOACRBJJZPAAQK-UHFFFAOYSA-N 0 0 194.282 1.825 10 0 ADAERN CNc1nccc(N2CC[C@H](C)C2)n1 87820961 574043824 /nfs/dbraw/zinc/04/38/24/574043824.db2.gz HQFXFYSEHNZJOL-QMMMGPOBSA-N 0 0 192.266 1.365 10 0 ADAERN CC[C@@H](C)CNc1cc(NC)ncn1 87828150 574043826 /nfs/dbraw/zinc/04/38/26/574043826.db2.gz BFAQTEGHTYWYSJ-MRVPVSSYSA-N 0 0 194.282 1.976 10 0 ADAERN Cn1cc([C@@H]2NC(C)(C)CS2)cn1 85349690 574043834 /nfs/dbraw/zinc/04/38/34/574043834.db2.gz JAOFEMBKKJTROL-MRVPVSSYSA-N 0 0 197.307 1.534 10 0 ADAERN CC[C@@H](C)CNc1ccnc(NC)n1 87828286 574043835 /nfs/dbraw/zinc/04/38/35/574043835.db2.gz CSDYCOBAQSMHKP-MRVPVSSYSA-N 0 0 194.282 1.976 10 0 ADAERN C[C@@H]1C[C@H]1Nc1nc(N)ncc1F 87827187 574043846 /nfs/dbraw/zinc/04/38/46/574043846.db2.gz JEJLHMAOHKRAKC-INEUFUBQSA-N 0 0 182.202 1.018 10 0 ADAERN C[C@@H]1C[C@H]1Nc1nc(N)ncc1Cl 87827607 574043857 /nfs/dbraw/zinc/04/38/57/574043857.db2.gz QHERBOFFFAPIMG-INEUFUBQSA-N 0 0 198.657 1.533 10 0 ADAERN Cc1cnc(N)nc1N1CC[C@@H](C)C1 87820911 574043860 /nfs/dbraw/zinc/04/38/60/574043860.db2.gz NDSACDHTEHXRGZ-SSDOTTSWSA-N 0 0 192.266 1.213 10 0 ADAERN Nc1ncc(F)c(NC2CCC2)n1 87827032 574043864 /nfs/dbraw/zinc/04/38/64/574043864.db2.gz UHKGZNDPDGTPDX-UHFFFAOYSA-N 0 0 182.202 1.162 10 0 ADAERN CNc1ncnc(N[C@@H]2C[C@H]2C)c1C 87827630 574043877 /nfs/dbraw/zinc/04/38/77/574043877.db2.gz JNCBZCMDQJNBKC-HTRCEHHLSA-N 0 0 192.266 1.647 10 0 ADAERN CCCSc1ncnc(N)c1C 87850140 574047442 /nfs/dbraw/zinc/04/74/42/574047442.db2.gz NIBPWSAQEIGUAH-UHFFFAOYSA-N 0 0 183.280 1.869 10 0 ADAERN CC[C@H](C)Sc1ccnc(N)n1 87849904 574047444 /nfs/dbraw/zinc/04/74/44/574047444.db2.gz GIRNYWWHOWMOQU-LURJTMIESA-N 0 0 183.280 1.949 10 0 ADAERN CNc1nccc(O[C@H](C)C(C)C)n1 87849290 574047446 /nfs/dbraw/zinc/04/74/46/574047446.db2.gz TTWOSWRGHHLWRQ-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN CC(C)(C)[C@@H](C(=O)[O-])[NH+]1CC=CC1 113215579 574047450 /nfs/dbraw/zinc/04/74/50/574047450.db2.gz FQTANPXQAIZUAU-MRVPVSSYSA-N 0 0 183.251 1.358 10 0 ADAERN C/C=C/COc1nc(N)ncc1C 87842925 574047453 /nfs/dbraw/zinc/04/74/53/574047453.db2.gz WQFGVHDKVJVOCG-ONEGZZNKSA-N 0 0 179.223 1.322 10 0 ADAERN CNc1ncc(C)c(OC2CCC2)n1 87842961 574047456 /nfs/dbraw/zinc/04/74/56/574047456.db2.gz NFPVMCYGXBXYSE-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN CCSc1ccnc(NC)n1 87849948 574047458 /nfs/dbraw/zinc/04/74/58/574047458.db2.gz LLVLYAHYVVEAER-UHFFFAOYSA-N 0 0 169.253 1.630 10 0 ADAERN CNc1ncnc(SC)c1C 87851061 574047463 /nfs/dbraw/zinc/04/74/63/574047463.db2.gz BBGGEBIOLYFEKE-UHFFFAOYSA-N 0 0 169.253 1.549 10 0 ADAERN CSc1nc(C)nc(Cl)n1 113235500 574047466 /nfs/dbraw/zinc/04/74/66/574047466.db2.gz UVGQOEDNLWEICY-UHFFFAOYSA-N 0 0 175.644 1.555 10 0 ADAERN CNc1cccc(O[C@@H]2CCOC2)n1 87848858 574047471 /nfs/dbraw/zinc/04/74/71/574047471.db2.gz XKNXRUQHCOVWEC-MRVPVSSYSA-N 0 0 194.234 1.291 10 0 ADAERN CNc1cccc(SC)n1 87850984 574047473 /nfs/dbraw/zinc/04/74/73/574047473.db2.gz JPJUAHODUOPWPY-UHFFFAOYSA-N 0 0 154.238 1.845 10 0 ADAERN CNc1cccc(O[C@H]2CCOC2)n1 87848859 574047476 /nfs/dbraw/zinc/04/74/76/574047476.db2.gz XKNXRUQHCOVWEC-QMMMGPOBSA-N 0 0 194.234 1.291 10 0 ADAERN C[C@@]1(F)OC(=O)O[C@@]1(C)F 113196799 574047477 /nfs/dbraw/zinc/04/74/77/574047477.db2.gz RMYFSKOGEWSTQR-RFZPGFLSSA-N 0 0 152.096 1.525 10 0 ADAERN COc1cccc2c1NC(=O)[C@@H](C)O2 259301602 574047482 /nfs/dbraw/zinc/04/74/82/574047482.db2.gz QTYYFIDFJBYDRP-ZCFIWIBFSA-N 0 0 193.202 1.415 10 0 ADAERN CNc1cn2ccnc2c(SC)n1 87851030 574047487 /nfs/dbraw/zinc/04/74/87/574047487.db2.gz KCXPKWKYFLAZGZ-UHFFFAOYSA-N 0 0 194.263 1.493 10 0 ADAERN CC(=O)OC1CCC1 113194378 574047500 /nfs/dbraw/zinc/04/75/00/574047500.db2.gz IUVCECHSUQJXMM-UHFFFAOYSA-N 0 0 114.144 1.102 10 0 ADAERN O=C([O-])C1CCC([NH+]2CC=CC2)CC1 113215371 574047502 /nfs/dbraw/zinc/04/75/02/574047502.db2.gz LVBHKXZXQRYSID-UHFFFAOYSA-N 0 0 195.262 1.502 10 0 ADAERN CCc1c(N)ncnc1SC 87851027 574047503 /nfs/dbraw/zinc/04/75/03/574047503.db2.gz MJDDTGQGLHQSFM-UHFFFAOYSA-N 0 0 169.253 1.343 10 0 ADAERN CCNc1cc(OC2CCC2)ncn1 87842975 574047510 /nfs/dbraw/zinc/04/75/10/574047510.db2.gz DEDRKZSVWBKYCQ-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN C/C=C/COc1ccnc(NC)n1 87842947 574047516 /nfs/dbraw/zinc/04/75/16/574047516.db2.gz WXOLKAJBOKOMSY-ONEGZZNKSA-N 0 0 179.223 1.473 10 0 ADAERN C/C=C/COc1ncnc(NC)c1C 87842900 574047523 /nfs/dbraw/zinc/04/75/23/574047523.db2.gz YWNRPMCONANWTQ-SNAWJCMRSA-N 0 0 193.250 1.782 10 0 ADAERN C/C=C/COc1nc(N)ncc1F 87842928 574047543 /nfs/dbraw/zinc/04/75/43/574047543.db2.gz HDNQWEAVWZHYAH-NSCUHMNNSA-N 0 0 183.186 1.153 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]([NH+]2CC=CC2)C1 113215554 574047544 /nfs/dbraw/zinc/04/75/44/574047544.db2.gz NPMUWZAWXSCCCW-ZJUUUORDSA-N 0 0 195.262 1.502 10 0 ADAERN CCc1nn(C)c2cc(N)ccc12 224156122 574047558 /nfs/dbraw/zinc/04/75/58/574047558.db2.gz HKXCFCLCEKKCMZ-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN CC(C)[C@H](C)Oc1ccnc(N)n1 87849237 574047563 /nfs/dbraw/zinc/04/75/63/574047563.db2.gz HVBRONLKHDYZAS-ZETCQYMHSA-N 0 0 181.239 1.482 10 0 ADAERN Cc1cc(OC2CCC2)nc(N)n1 87842985 574047565 /nfs/dbraw/zinc/04/75/65/574047565.db2.gz QWZQMKJCWZMXQT-UHFFFAOYSA-N 0 0 179.223 1.299 10 0 ADAERN CSc1ncnc(N)c1C(C)C 87851010 574047567 /nfs/dbraw/zinc/04/75/67/574047567.db2.gz BJITZANDJOZWSE-UHFFFAOYSA-N 0 0 183.280 1.904 10 0 ADAERN CNc1cncc(SC2COC2)n1 87852125 574047575 /nfs/dbraw/zinc/04/75/75/574047575.db2.gz MVSAGWAEKTWZDW-UHFFFAOYSA-N 0 0 197.263 1.009 10 0 ADAERN CCNc1cncc(OC2CCC2)n1 87842970 574047581 /nfs/dbraw/zinc/04/75/81/574047581.db2.gz KETKVAFJUGFONN-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CCCSc1nc(N)ncc1C 87850192 574047588 /nfs/dbraw/zinc/04/75/88/574047588.db2.gz MTJIJXWZZAPSLT-UHFFFAOYSA-N 0 0 183.280 1.869 10 0 ADAERN CC[C@@H](C)Oc1nc(N)ncc1F 87842170 574047590 /nfs/dbraw/zinc/04/75/90/574047590.db2.gz CGLZGLVKIHKAAU-RXMQYKEDSA-N 0 0 185.202 1.375 10 0 ADAERN CSc1nc(N)ncc1C 87851056 574047604 /nfs/dbraw/zinc/04/76/04/574047604.db2.gz AIAQOTMSTKPAHS-UHFFFAOYSA-N 0 0 155.226 1.089 10 0 ADAERN C[C@@](C(=O)[O-])(C1CC1)[NH+]1CC=CC1 113215681 574047607 /nfs/dbraw/zinc/04/76/07/574047607.db2.gz ABEIHQKUMZKWEW-JTQLQIEISA-N 0 0 181.235 1.112 10 0 ADAERN C/C=C/COc1ccnc(N)n1 87842906 574047612 /nfs/dbraw/zinc/04/76/12/574047612.db2.gz XERSCFGBZYTNRJ-NSCUHMNNSA-N 0 0 165.196 1.014 10 0 ADAERN CCSc1ncnc(N)c1CC 87849982 574047626 /nfs/dbraw/zinc/04/76/26/574047626.db2.gz XEHLETOPRUVSLB-UHFFFAOYSA-N 0 0 183.280 1.733 10 0 ADAERN CCSc1nc(C)nc(N)c1C 87849938 574047632 /nfs/dbraw/zinc/04/76/32/574047632.db2.gz OITWWPOIKAEHCZ-UHFFFAOYSA-N 0 0 183.280 1.788 10 0 ADAERN CNc1cccc(SCCO)n1 87850597 574047645 /nfs/dbraw/zinc/04/76/45/574047645.db2.gz FWUSGTSIFPWVIA-UHFFFAOYSA-N 0 0 184.264 1.208 10 0 ADAERN CCSc1nc(N)ncc1C 87850012 574047648 /nfs/dbraw/zinc/04/76/48/574047648.db2.gz VBMCFYSLIXCFKN-UHFFFAOYSA-N 0 0 169.253 1.479 10 0 ADAERN COC(=O)[C@@H](c1cc[nH]c1)C(C)C 259301362 574047649 /nfs/dbraw/zinc/04/76/49/574047649.db2.gz QKBAVLUXNONXSA-SECBINFHSA-N 0 0 181.235 1.927 10 0 ADAERN Oc1cccc2c1NCC1(CC1)CO2 259301650 574047651 /nfs/dbraw/zinc/04/76/51/574047651.db2.gz QVPPUQMBBUVQHJ-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN Cc1nc(N)cc(OC2CCC2)n1 87843004 574047670 /nfs/dbraw/zinc/04/76/70/574047670.db2.gz HFNWHASABFQTRU-UHFFFAOYSA-N 0 0 179.223 1.299 10 0 ADAERN CC(C)[C@H](C)Oc1nc(N)ncc1F 87849269 574047679 /nfs/dbraw/zinc/04/76/79/574047679.db2.gz ZRSKBZGFAKSBFH-LURJTMIESA-N 0 0 199.229 1.621 10 0 ADAERN Nc1ncc(Cl)c(OC2CCC2)n1 87843029 574047689 /nfs/dbraw/zinc/04/76/89/574047689.db2.gz NKNNYLUDIDKIDG-UHFFFAOYSA-N 0 0 199.641 1.644 10 0 ADAERN CC[C@H](C)Oc1cc(N)nc(C)n1 87842157 574047692 /nfs/dbraw/zinc/04/76/92/574047692.db2.gz LLSAWEXTTYVUJL-LURJTMIESA-N 0 0 181.239 1.545 10 0 ADAERN Cc1c(N)ncnc1SC(C)C 87850865 574047697 /nfs/dbraw/zinc/04/76/97/574047697.db2.gz OOGJXBWAFKJLNW-UHFFFAOYSA-N 0 0 183.280 1.868 10 0 ADAERN CNc1nc(C)cc(OC2CCC2)n1 87842986 574047707 /nfs/dbraw/zinc/04/77/07/574047707.db2.gz KXXFBSNFUDGBBB-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN CC(C)(ON)c1ccco1 259300234 574047716 /nfs/dbraw/zinc/04/77/16/574047716.db2.gz BNUMOCMUMRPPCN-UHFFFAOYSA-N 0 0 141.170 1.405 10 0 ADAERN O=C1CCC2(CC1)OCCCO2 113204082 574047728 /nfs/dbraw/zinc/04/77/28/574047728.db2.gz YMJPMXKEULIGDX-UHFFFAOYSA-N 0 0 170.208 1.263 10 0 ADAERN C[NH+]1CCC(CC/C=C/C(=O)[O-])CC1 259301190 574047753 /nfs/dbraw/zinc/04/77/53/574047753.db2.gz NFRQHCWAUJZVNH-HWKANZROSA-N 0 0 197.278 1.749 10 0 ADAERN NC(=O)NSc1ccccc1 113226943 574047764 /nfs/dbraw/zinc/04/77/64/574047764.db2.gz IGXIQOFPTUWHFL-UHFFFAOYSA-N 0 0 168.221 1.362 10 0 ADAERN CONCc1ccc(F)c(N(C)C)c1 259301318 574047770 /nfs/dbraw/zinc/04/77/70/574047770.db2.gz DNXNXKRYZPLXAC-UHFFFAOYSA-N 0 0 198.241 1.543 10 0 ADAERN O=C([O-])C1([NH+]2CC=CC2)CCCCC1 113215451 574047771 /nfs/dbraw/zinc/04/77/71/574047771.db2.gz DDZKCBMLXJCLCS-UHFFFAOYSA-N 0 0 195.262 1.646 10 0 ADAERN C[NH2+][C@@H](C1CCCC1)C(C)(C)C(=O)[O-] 259301757 574047789 /nfs/dbraw/zinc/04/77/89/574047789.db2.gz JCBSXHLCHLSKKQ-VIFPVBQESA-N 0 0 199.294 1.875 10 0 ADAERN C[C@](C(=O)[O-])(C1CC1)[NH+]1CC=CC1 113215678 574047792 /nfs/dbraw/zinc/04/77/92/574047792.db2.gz ABEIHQKUMZKWEW-SNVBAGLBSA-N 0 0 181.235 1.112 10 0 ADAERN CC(C)[C@@H](C)Nc1cncc(=NN)[nH]1 87884321 574047799 /nfs/dbraw/zinc/04/77/99/574047799.db2.gz FOQPCHMQHJCHQI-SSDOTTSWSA-N 0 0 195.270 1.219 10 0 ADAERN Cc1nnc(-c2cc[nH]c2)c(Cl)n1 259300374 574047802 /nfs/dbraw/zinc/04/78/02/574047802.db2.gz SKISGYGJMPASSJ-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN Cc1ccc(-c2cc[nH]c(=O)c2)nn1 113226674 574047825 /nfs/dbraw/zinc/04/78/25/574047825.db2.gz DMNGDJMPUCLKDZ-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CC(C)(O)c1cccc(CNO)c1 259301312 574047827 /nfs/dbraw/zinc/04/78/27/574047827.db2.gz CPWIIIPFURZXNW-UHFFFAOYSA-N 0 0 181.235 1.393 10 0 ADAERN CCc1c(C(=O)OC)ccc(N)c1C 113188559 574047831 /nfs/dbraw/zinc/04/78/31/574047831.db2.gz GAYIJUYDPUESGU-UHFFFAOYSA-N 0 0 193.246 1.926 10 0 ADAERN CC(C)(CC(=O)[O-])[NH+]1CC=CC1 113215688 574047847 /nfs/dbraw/zinc/04/78/47/574047847.db2.gz ZWAOUELLDSHLAQ-UHFFFAOYSA-N 0 0 169.224 1.112 10 0 ADAERN CCSc1ncnc(NN)c1CC 87889811 574047888 /nfs/dbraw/zinc/04/78/88/574047888.db2.gz WIGHWLUKJZDGOT-UHFFFAOYSA-N 0 0 198.295 1.437 10 0 ADAERN O=C1CN=C2C=CC=C(F)N12 258526127 574047910 /nfs/dbraw/zinc/04/79/10/574047910.db2.gz MUQVNOXSYUNRAK-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN CC(C)(CO)c1ccc(CCO)cc1 259301277 574047937 /nfs/dbraw/zinc/04/79/37/574047937.db2.gz CPCUNRPAVFMXAF-UHFFFAOYSA-N 0 0 194.274 1.491 10 0 ADAERN O=C([O-])CCCCCC[NH+]1CC=CC1 113215200 574047962 /nfs/dbraw/zinc/04/79/62/574047962.db2.gz AYZBZZHBLVLURJ-UHFFFAOYSA-N 0 0 197.278 1.893 10 0 ADAERN Nc1ccc2ccoc(=O)c2c1 113234942 574047975 /nfs/dbraw/zinc/04/79/75/574047975.db2.gz FOHUMFIQHBSPGD-UHFFFAOYSA-N 0 0 161.160 1.375 10 0 ADAERN CCC(=O)N[C@@H]1CCC12CCOCC2 585409898 574047977 /nfs/dbraw/zinc/04/79/77/574047977.db2.gz UOYNTXXOGRZFIN-SECBINFHSA-N 0 0 197.278 1.472 10 0 ADAERN Cc1c2cc(F)c(N)cc2nn1C 259301208 574048020 /nfs/dbraw/zinc/04/80/20/574048020.db2.gz DNMKSUUGIQHIJS-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN C[C@@H](O)Oc1ccsc1 197948785 574048038 /nfs/dbraw/zinc/04/80/38/574048038.db2.gz GNMWKEKJMUJKJO-YFKPBYRVSA-N 0 0 144.195 1.465 10 0 ADAERN C=CC(=O)O[C@H](C)OCC 113210333 574048043 /nfs/dbraw/zinc/04/80/43/574048043.db2.gz DBZKLCIHFPDWMJ-ZCFIWIBFSA-N 0 0 144.170 1.098 10 0 ADAERN CCSc1ncnc(NN)c1C 87889781 574048067 /nfs/dbraw/zinc/04/80/67/574048067.db2.gz PDRBRDIKSRMYKW-UHFFFAOYSA-N 0 0 184.268 1.183 10 0 ADAERN CC(C)(C)NC(=O)C1=C(N)CCC1 113248844 574048079 /nfs/dbraw/zinc/04/80/79/574048079.db2.gz FTFVAYBVEIWRPO-UHFFFAOYSA-N 0 0 182.267 1.298 10 0 ADAERN CC(C)(C)Sc1cncc(NN)n1 87889885 574048085 /nfs/dbraw/zinc/04/80/85/574048085.db2.gz LWFDFVJHSZEFBL-UHFFFAOYSA-N 0 0 198.295 1.653 10 0 ADAERN COc1cccc2c1NC(=O)[C@H](C)O2 259301598 574048092 /nfs/dbraw/zinc/04/80/92/574048092.db2.gz QTYYFIDFJBYDRP-LURJTMIESA-N 0 0 193.202 1.415 10 0 ADAERN C[C@@]1(F)OC(=O)O[C@]1(C)F 113196800 574048101 /nfs/dbraw/zinc/04/81/01/574048101.db2.gz RMYFSKOGEWSTQR-SYDPRGILSA-N 0 0 152.096 1.525 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]([NH+]2CC=CC2)C1 113215546 574048106 /nfs/dbraw/zinc/04/81/06/574048106.db2.gz NPMUWZAWXSCCCW-VHSXEESVSA-N 0 0 195.262 1.502 10 0 ADAERN COC(=O)[C@H](c1cc[nH]c1)C(C)C 259301369 574048112 /nfs/dbraw/zinc/04/81/12/574048112.db2.gz QKBAVLUXNONXSA-VIFPVBQESA-N 0 0 181.235 1.927 10 0 ADAERN CCC(C)(C)Nc1cncc(=NN)[nH]1 87885672 574048114 /nfs/dbraw/zinc/04/81/14/574048114.db2.gz KYGPEFZLPGZJER-UHFFFAOYSA-N 0 0 195.270 1.363 10 0 ADAERN CCC(=O)N[C@H]1CCC12CCOCC2 585409900 574048115 /nfs/dbraw/zinc/04/81/15/574048115.db2.gz UOYNTXXOGRZFIN-VIFPVBQESA-N 0 0 197.278 1.472 10 0 ADAERN CC(C)Sc1cncc(NN)n1 87892171 574048162 /nfs/dbraw/zinc/04/81/62/574048162.db2.gz QPEJHIVKVJNKQD-UHFFFAOYSA-N 0 0 184.268 1.263 10 0 ADAERN C[C@H](O)[C@@H](F)C1CCCC1 258526141 574048175 /nfs/dbraw/zinc/04/81/75/574048175.db2.gz MUWSTQJEZDYKEI-POYBYMJQSA-N 0 0 146.205 1.896 10 0 ADAERN Nc1nccc(Oc2cccnc2)n1 87842507 574047426 /nfs/dbraw/zinc/04/74/26/574047426.db2.gz CHCCLZBFLSADJQ-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN COc1cccc(NCC(C)=O)c1 197958276 574047428 /nfs/dbraw/zinc/04/74/28/574047428.db2.gz UUEQGFLHQKCQAO-UHFFFAOYSA-N 0 0 179.219 1.696 10 0 ADAERN CCC[C@H]1CN(C)C(=O)N1C 259300649 574047431 /nfs/dbraw/zinc/04/74/31/574047431.db2.gz GEAGCRMUJRFSCG-ZETCQYMHSA-N 0 0 156.229 1.152 10 0 ADAERN OCc1[nH]nc2c1[C@@H](F)CCC2 258526061 574048176 /nfs/dbraw/zinc/04/81/76/574048176.db2.gz MTZCGRCTKXAIGG-YFKPBYRVSA-N 0 0 170.187 1.249 10 0 ADAERN C/C=C/COc1nc(NC)ncc1C 87842878 574047433 /nfs/dbraw/zinc/04/74/33/574047433.db2.gz OUMWGKQWYLHZKR-SNAWJCMRSA-N 0 0 193.250 1.782 10 0 ADAERN O=C(CCCCCO)NCCC1CC1 1148388073 760663837 /nfs/dbraw/zinc/66/38/37/760663837.db2.gz KKVCFZUYMWTLJY-UHFFFAOYSA-N 0 0 199.294 1.455 10 0 ADAERN C=C/C=C\CC(=O)NC1(C)COC1 1151281988 760664823 /nfs/dbraw/zinc/66/48/23/760664823.db2.gz PKDSMDPHVPQNOU-PLNGDYQASA-N 0 0 181.235 1.024 10 0 ADAERN COC/C=C\C(=O)N1CC2(CCC2)C1 1150289629 760665641 /nfs/dbraw/zinc/66/56/41/760665641.db2.gz QACSGHQOFWRMKR-RQOWECAXSA-N 0 0 195.262 1.202 10 0 ADAERN C=C/C=C/CC(=O)NCC[C@@H](O)CC 1149707933 760666453 /nfs/dbraw/zinc/66/64/53/760666453.db2.gz HLEOXSKCLPQKKQ-PORFMDCZSA-N 0 0 197.278 1.396 10 0 ADAERN CC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F 1148407377 760666958 /nfs/dbraw/zinc/66/69/58/760666958.db2.gz NTDSVHBNNINFLL-RQJHMYQMSA-N 0 0 175.178 1.120 10 0 ADAERN C=C/C=C\CC(=O)NCC[C@H](O)CC 1149707934 760667781 /nfs/dbraw/zinc/66/77/81/760667781.db2.gz HLEOXSKCLPQKKQ-WWQCOOJYSA-N 0 0 197.278 1.396 10 0 ADAERN C=C/C=C/CC(=O)NC1(C)COC1 1151281990 760668064 /nfs/dbraw/zinc/66/80/64/760668064.db2.gz PKDSMDPHVPQNOU-SNAWJCMRSA-N 0 0 181.235 1.024 10 0 ADAERN COC/C=C/C(=O)N1CC2(CCC2)C1 1150289628 760668084 /nfs/dbraw/zinc/66/80/84/760668084.db2.gz QACSGHQOFWRMKR-DUXPYHPUSA-N 0 0 195.262 1.202 10 0 ADAERN CC(=O)N1CC[C@H]2[C@@H](C1)C2(F)F 1148407375 760669127 /nfs/dbraw/zinc/66/91/27/760669127.db2.gz NTDSVHBNNINFLL-NKWVEPMBSA-N 0 0 175.178 1.120 10 0 ADAERN CC1(CNC(=O)C2CC(=O)C2)CCC1 1148767219 760670320 /nfs/dbraw/zinc/67/03/20/760670320.db2.gz VFTQMHFIIUBJHL-UHFFFAOYSA-N 0 0 195.262 1.272 10 0 ADAERN C=C/C=C/CC(=O)NCC[C@H](O)CC 1149707931 760670324 /nfs/dbraw/zinc/67/03/24/760670324.db2.gz HLEOXSKCLPQKKQ-BRAIEQGRSA-N 0 0 197.278 1.396 10 0 ADAERN C=C/C=C\CC(=O)NCC[C@@H](O)CC 1149707932 760673231 /nfs/dbraw/zinc/67/32/31/760673231.db2.gz HLEOXSKCLPQKKQ-OMMCCPJFSA-N 0 0 197.278 1.396 10 0 ADAERN Cc1c(C(=O)N(C)C)ccc(F)c1F 1148593820 760673402 /nfs/dbraw/zinc/67/34/02/760673402.db2.gz NXAMRPFFYIYYMG-UHFFFAOYSA-N 0 0 199.200 1.975 10 0 ADAERN C=C/C=C/CC(=O)N(C)CCOCC 1152485455 760674811 /nfs/dbraw/zinc/67/48/11/760674811.db2.gz ZEASGCRUIHPUHF-VOTSOKGWSA-N 0 0 197.278 1.614 10 0 ADAERN CCN1CC[C@H]1C(=O)NCC=C(C)C 1154271745 760675954 /nfs/dbraw/zinc/67/59/54/760675954.db2.gz UVHVJAGBFGYXQH-JTQLQIEISA-N 0 0 196.294 1.163 10 0 ADAERN O=C(Nc1ccsn1)c1ncc[nH]1 1152974965 760676623 /nfs/dbraw/zinc/67/66/23/760676623.db2.gz ZQHABYQQIFPEDU-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN O=C(CCF)Nc1ccsn1 1152974532 760677291 /nfs/dbraw/zinc/67/72/91/760677291.db2.gz VDZNFLPGZFTMEJ-UHFFFAOYSA-N 0 0 174.200 1.441 10 0 ADAERN CC(C)CC(=O)N1[C@H](C)CC[C@@H]1CO 1153406427 760678209 /nfs/dbraw/zinc/67/82/09/760678209.db2.gz MVQPUGPQNDNRCT-NXEZZACHSA-N 0 0 199.294 1.404 10 0 ADAERN CN(C)C(=O)c1cc2ncccc2o1 1153692333 760678576 /nfs/dbraw/zinc/67/85/76/760678576.db2.gz RXAKTHVLOLLGNO-UHFFFAOYSA-N 0 0 190.202 1.530 10 0 ADAERN C=C/C=C\CCNC(=O)c1cc[nH]c1 1153737151 760678666 /nfs/dbraw/zinc/67/86/66/760678666.db2.gz NFNVBJRZUNVRLK-ARJAWSKDSA-N 0 0 190.246 1.877 10 0 ADAERN C=C/C=C\CC(=O)N(C)CCOCC 1152485454 760678699 /nfs/dbraw/zinc/67/86/99/760678699.db2.gz ZEASGCRUIHPUHF-SREVYHEPSA-N 0 0 197.278 1.614 10 0 ADAERN C=C/C=C\CCNC(=O)c1cnco1 1153737695 760678926 /nfs/dbraw/zinc/67/89/26/760678926.db2.gz XSTBPIFHZZSUSK-ARJAWSKDSA-N 0 0 192.218 1.537 10 0 ADAERN CCN1CC[C@@H]1C(=O)NCC=C(C)C 1154271747 760679422 /nfs/dbraw/zinc/67/94/22/760679422.db2.gz UVHVJAGBFGYXQH-SNVBAGLBSA-N 0 0 196.294 1.163 10 0 ADAERN C=C/C=C/CCNC(=O)c1cc[nH]c1 1153737152 760680121 /nfs/dbraw/zinc/68/01/21/760680121.db2.gz NFNVBJRZUNVRLK-ONEGZZNKSA-N 0 0 190.246 1.877 10 0 ADAERN O=C1CC(C(=O)Nc2ccsn2)C1 1152974956 760680276 /nfs/dbraw/zinc/68/02/76/760680276.db2.gz ZGNSWOBOJDYYIK-UHFFFAOYSA-N 0 0 196.231 1.061 10 0 ADAERN C=C/C=C/CCNC(=O)c1cnco1 1153737696 760680451 /nfs/dbraw/zinc/68/04/51/760680451.db2.gz XSTBPIFHZZSUSK-ONEGZZNKSA-N 0 0 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QUMJXSCHMFEANN-VQCYPWCPSA-N 0 0 197.278 1.660 10 0 ADAERN O=C(CCCCCO)NC1CCC1 1161122013 760814487 /nfs/dbraw/zinc/81/44/87/760814487.db2.gz ZAYBLTYYXYVLGQ-UHFFFAOYSA-N 0 0 185.267 1.208 10 0 ADAERN CC(C)C1(C(=O)N(C)CCO)CCC1 1161105902 760815002 /nfs/dbraw/zinc/81/50/02/760815002.db2.gz QYTKMRGJADESFU-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)c1n[nH]cc1F 1161542050 760817456 /nfs/dbraw/zinc/81/74/56/760817456.db2.gz URMXKRLLQFXDBU-LURJTMIESA-N 0 0 197.213 1.077 10 0 ADAERN CNc1ccnc(NCC(C)(C)C)n1 1161637012 760819746 /nfs/dbraw/zinc/81/97/46/760819746.db2.gz YIYXMHKXUDLCGM-UHFFFAOYSA-N 0 0 194.282 1.976 10 0 ADAERN Cc1cc(C(=O)OC(C)C)cnc1N 1161693817 760820831 /nfs/dbraw/zinc/82/08/31/760820831.db2.gz GYYJKTUSJSCUSE-UHFFFAOYSA-N 0 0 194.234 1.537 10 0 ADAERN Nc1ccc(F)c(C2OCCO2)c1 1161698493 760821288 /nfs/dbraw/zinc/82/12/88/760821288.db2.gz BTQJTXHUFSJFJT-UHFFFAOYSA-N 0 0 183.182 1.453 10 0 ADAERN Cc1cncnc1N[C@@H](CO)C(C)C 1161740387 760822365 /nfs/dbraw/zinc/82/23/65/760822365.db2.gz DPEGOUNKSVKHRL-VIFPVBQESA-N 0 0 195.266 1.214 10 0 ADAERN CNc1ccnc(NCC(F)F)n1 1161809458 760823811 /nfs/dbraw/zinc/82/38/11/760823811.db2.gz IQIYJUCNJZAZGP-UHFFFAOYSA-N 0 0 188.181 1.195 10 0 ADAERN FC(F)CNc1cccnc1 1161813499 760824443 /nfs/dbraw/zinc/82/44/43/760824443.db2.gz JCRZUJFKLUOXSC-UHFFFAOYSA-N 0 0 158.151 1.759 10 0 ADAERN NC(=O)CNc1ccc(CF)cc1 1161842226 760825304 /nfs/dbraw/zinc/82/53/04/760825304.db2.gz LFBOJKDEANJFIL-UHFFFAOYSA-N 0 0 182.198 1.053 10 0 ADAERN Cc1ncc(C)c(-n2ccnc2)n1 1162004528 760825630 /nfs/dbraw/zinc/82/56/30/760825630.db2.gz RVNHRTUHPINRJP-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CCc1cccc(NCC2COC2)n1 1161951544 760825868 /nfs/dbraw/zinc/82/58/68/760825868.db2.gz UYGUAIMCCKKUTL-UHFFFAOYSA-N 0 0 192.262 1.702 10 0 ADAERN CC(C)c1cccc(NCC(N)=O)n1 1161840722 760826343 /nfs/dbraw/zinc/82/63/43/760826343.db2.gz QLTULTRAEFPBFO-UHFFFAOYSA-N 0 0 193.250 1.102 10 0 ADAERN CON(C)c1nc2ccc(F)cc2o1 1161923670 760826838 /nfs/dbraw/zinc/82/68/38/760826838.db2.gz GYZYIOVHVHLDBB-UHFFFAOYSA-N 0 0 196.181 1.965 10 0 ADAERN Clc1ccnc(NCC2COC2)n1 1161951431 760827249 /nfs/dbraw/zinc/82/72/49/760827249.db2.gz PBRXUDZIHYZORD-UHFFFAOYSA-N 0 0 199.641 1.188 10 0 ADAERN NC(=O)CNc1ccccc1C1CC1 1161845862 760827337 /nfs/dbraw/zinc/82/73/37/760827337.db2.gz UAOJASZBQJXICB-UHFFFAOYSA-N 0 0 190.246 1.461 10 0 ADAERN CNc1ccnc(NC2CC(F)C2)n1 1162209341 760827959 /nfs/dbraw/zinc/82/79/59/760827959.db2.gz GZKQDHQUKGSNCU-UHFFFAOYSA-N 0 0 196.229 1.431 10 0 ADAERN CCc1cnc(N[C@H](CC)CO)nc1 1163042198 760830954 /nfs/dbraw/zinc/83/09/54/760830954.db2.gz BSWIFEQHLJDCEV-SECBINFHSA-N 0 0 195.266 1.222 10 0 ADAERN CC[C@H](CO)Nc1nccc(C)c1F 1163045968 760831075 /nfs/dbraw/zinc/83/10/75/760831075.db2.gz VZHWTHPWKJEURC-MRVPVSSYSA-N 0 0 198.241 1.712 10 0 ADAERN CC[C@@H](CO)Nc1nc(C)ncc1C 1163045115 760831441 /nfs/dbraw/zinc/83/14/41/760831441.db2.gz LCUDJUQWYIZQDH-VIFPVBQESA-N 0 0 195.266 1.276 10 0 ADAERN CC[C@@H](CO)Nc1nccc(C)c1F 1163045969 760831756 /nfs/dbraw/zinc/83/17/56/760831756.db2.gz VZHWTHPWKJEURC-QMMMGPOBSA-N 0 0 198.241 1.712 10 0 ADAERN CC[C@H](CO)Nc1ncc(F)cc1C 1163043255 760831880 /nfs/dbraw/zinc/83/18/80/760831880.db2.gz RDSBAWGXPPIREX-SECBINFHSA-N 0 0 198.241 1.712 10 0 ADAERN CCc1cnc(N[C@@H](CC)CO)nc1 1163042200 760832446 /nfs/dbraw/zinc/83/24/46/760832446.db2.gz BSWIFEQHLJDCEV-VIFPVBQESA-N 0 0 195.266 1.222 10 0 ADAERN CC[C@H](CO)Nc1nc(C)ncc1C 1163045113 760832469 /nfs/dbraw/zinc/83/24/69/760832469.db2.gz LCUDJUQWYIZQDH-SECBINFHSA-N 0 0 195.266 1.276 10 0 ADAERN CC[C@@H](CO)Nc1ncc(F)cc1C 1163043256 760832526 /nfs/dbraw/zinc/83/25/26/760832526.db2.gz RDSBAWGXPPIREX-VIFPVBQESA-N 0 0 198.241 1.712 10 0 ADAERN Cc1ncc(C)c(N2CCC2)n1 1163534104 760839614 /nfs/dbraw/zinc/83/96/14/760839614.db2.gz IZRLTUJAVUFOLB-UHFFFAOYSA-N 0 0 163.224 1.304 10 0 ADAERN Cc1cc(F)cnc1N1CCC1 1163534141 760839724 /nfs/dbraw/zinc/83/97/24/760839724.db2.gz KSULBKDXTLQMHV-UHFFFAOYSA-N 0 0 166.199 1.739 10 0 ADAERN COC(=O)c1cccnc1N1CCC1 1163533678 760840151 /nfs/dbraw/zinc/84/01/51/760840151.db2.gz ACVJQTVOARORGI-UHFFFAOYSA-N 0 0 192.218 1.078 10 0 ADAERN Cc1cc(F)cnc1N(C)C 1163567253 760842018 /nfs/dbraw/zinc/84/20/18/760842018.db2.gz QGOCNOAKNMHUEZ-UHFFFAOYSA-N 0 0 154.188 1.595 10 0 ADAERN CN(C)c1nc(Cl)ccc1F 1163567195 760842201 /nfs/dbraw/zinc/84/22/01/760842201.db2.gz NTNQJMQYYWYGJM-UHFFFAOYSA-N 0 0 174.606 1.940 10 0 ADAERN COC(=O)c1ccnc(N(C)C)c1C 1163567479 760842285 /nfs/dbraw/zinc/84/22/85/760842285.db2.gz VFZKQXWWXNPVSY-UHFFFAOYSA-N 0 0 194.234 1.243 10 0 ADAERN Cc1ccnc(N(C)C)c1F 1163569290 760842399 /nfs/dbraw/zinc/84/23/99/760842399.db2.gz NYRPDXXNWOHJQK-UHFFFAOYSA-N 0 0 154.188 1.595 10 0 ADAERN COC(=O)c1cc(N(C)C)ncc1C 1163569016 760842633 /nfs/dbraw/zinc/84/26/33/760842633.db2.gz DHOJWHSGRQKIKK-UHFFFAOYSA-N 0 0 194.234 1.243 10 0 ADAERN CN(C)c1ncc2ncsc2n1 1163569570 760842871 /nfs/dbraw/zinc/84/28/71/760842871.db2.gz UFNOBTURENKIKF-UHFFFAOYSA-N 0 0 180.236 1.152 10 0 ADAERN CN(C)c1ncc(OC(F)F)cn1 1163569560 760843209 /nfs/dbraw/zinc/84/32/09/760843209.db2.gz TUXDHXHTZWPMMJ-UHFFFAOYSA-N 0 0 189.165 1.144 10 0 ADAERN CN(C)c1cc(F)ccn1 1163567225 760843254 /nfs/dbraw/zinc/84/32/54/760843254.db2.gz PFOTUQIVNNECGQ-UHFFFAOYSA-N 0 0 140.161 1.287 10 0 ADAERN COc1cc(N(C)C)nc(SC)n1 1163569490 760843298 /nfs/dbraw/zinc/84/32/98/760843298.db2.gz QTHMBVAXOOSMPA-UHFFFAOYSA-N 0 0 199.279 1.273 10 0 ADAERN COCc1ccc(N(C)C)nc1 1163573084 760843754 /nfs/dbraw/zinc/84/37/54/760843754.db2.gz WZYQUQJYICESDG-UHFFFAOYSA-N 0 0 166.224 1.294 10 0 ADAERN CN(C)c1nccc(C(F)F)n1 1163572429 760844013 /nfs/dbraw/zinc/84/40/13/760844013.db2.gz IGNFTYAABWJJTJ-UHFFFAOYSA-N 0 0 173.166 1.480 10 0 ADAERN CN(C)c1nc2ccc(Cl)nc2[nH]1 1163573108 760844450 /nfs/dbraw/zinc/84/44/50/760844450.db2.gz YYKHQXGWLHMVTR-UHFFFAOYSA-N 0 0 196.641 1.677 10 0 ADAERN CN(C)c1ncc(C2CC2)cn1 1163569761 760844791 /nfs/dbraw/zinc/84/47/91/760844791.db2.gz ZAEVOTOXJNGODR-UHFFFAOYSA-N 0 0 163.224 1.420 10 0 ADAERN CCN(C)c1cc(C)nc(SC)n1 1163579659 760844948 /nfs/dbraw/zinc/84/49/48/760844948.db2.gz OTPWCHFSFRQQSL-UHFFFAOYSA-N 0 0 197.307 1.963 10 0 ADAERN CCN(C)c1ncccc1C(=O)OC 1163582580 760845197 /nfs/dbraw/zinc/84/51/97/760845197.db2.gz CAEINVOMLUFYIL-UHFFFAOYSA-N 0 0 194.234 1.324 10 0 ADAERN CCN(C)c1ncc(F)cc1C 1163583641 760845221 /nfs/dbraw/zinc/84/52/21/760845221.db2.gz NPIQSRKSHAVMSZ-UHFFFAOYSA-N 0 0 168.215 1.985 10 0 ADAERN CCOC(=O)c1cccc(N(C)C)n1 1163569734 760845365 /nfs/dbraw/zinc/84/53/65/760845365.db2.gz XTDFCKBXFGLXLC-UHFFFAOYSA-N 0 0 194.234 1.324 10 0 ADAERN Cc1ncc(C)c(N2CC(C)(C)C2)n1 1163724729 760847667 /nfs/dbraw/zinc/84/76/67/760847667.db2.gz QDSZFKRYKUTVRV-UHFFFAOYSA-N 0 0 191.278 1.940 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 1163878849 760849974 /nfs/dbraw/zinc/84/99/74/760849974.db2.gz YVZNEDCHVLGXPQ-HZWFCMDNSA-N 0 0 195.262 1.246 10 0 ADAERN Cc1ncc(C)c(N2CC=CC2)n1 1163917200 760850050 /nfs/dbraw/zinc/85/00/50/760850050.db2.gz NEVLRPRPEKNTSF-UHFFFAOYSA-N 0 0 175.235 1.470 10 0 ADAERN C/C=C\C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 1163878850 760850069 /nfs/dbraw/zinc/85/00/69/760850069.db2.gz YVZNEDCHVLGXPQ-IJIRVMTASA-N 0 0 195.262 1.246 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 1163878853 760850435 /nfs/dbraw/zinc/85/04/35/760850435.db2.gz YVZNEDCHVLGXPQ-MHVMFOFASA-N 0 0 195.262 1.246 10 0 ADAERN Cc1ncc(C)c(N2CCCCO2)n1 1163927355 760850879 /nfs/dbraw/zinc/85/08/79/760850879.db2.gz MRQJGYOLXSMRTE-UHFFFAOYSA-N 0 0 193.250 1.625 10 0 ADAERN C/C=C\C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 1163878852 760850975 /nfs/dbraw/zinc/85/09/75/760850975.db2.gz YVZNEDCHVLGXPQ-JJMHPRIZSA-N 0 0 195.262 1.246 10 0 ADAERN CNc1ccnc(NC2(C)CCC2)n1 1164025253 760851884 /nfs/dbraw/zinc/85/18/84/760851884.db2.gz MFTKBCVEMRVFEN-UHFFFAOYSA-N 0 0 192.266 1.873 10 0 ADAERN CC1(Nc2nnc(Cl)nn2)CCC1 1164025523 760852841 /nfs/dbraw/zinc/85/28/41/760852841.db2.gz VYZSRQLIRQHRGE-UHFFFAOYSA-N 0 0 199.645 1.275 10 0 ADAERN Fc1nccnc1NC/C=C\Cl 1164302711 760854124 /nfs/dbraw/zinc/85/41/24/760854124.db2.gz FRJSVNYATUVDSR-UPHRSURJSA-N 0 0 187.605 1.780 10 0 ADAERN Fc1nccnc1NC/C=C/Cl 1164302710 760855203 /nfs/dbraw/zinc/85/52/03/760855203.db2.gz FRJSVNYATUVDSR-OWOJBTEDSA-N 0 0 187.605 1.780 10 0 ADAERN COC(=O)CNc1cnn(C(C)C)c1 1164558333 760856401 /nfs/dbraw/zinc/85/64/01/760856401.db2.gz GKAJYKYACVLMOV-UHFFFAOYSA-N 0 0 197.238 1.049 10 0 ADAERN CCc1cccc(NCC(=O)OC)n1 1164566192 760856723 /nfs/dbraw/zinc/85/67/23/760856723.db2.gz ODWBISVCPFEUEJ-UHFFFAOYSA-N 0 0 194.234 1.229 10 0 ADAERN CCc1cccc(N[C@@H](C)CCO)n1 1165938098 760858043 /nfs/dbraw/zinc/85/80/43/760858043.db2.gz LMPRIDUDNROGBW-VIFPVBQESA-N 0 0 194.278 1.827 10 0 ADAERN Cc1nc(NC(=O)[C@H]2C[C@H]2C)oc1C 1167297462 760865259 /nfs/dbraw/zinc/86/52/59/760865259.db2.gz VKPRHSLTRHOLLT-XRGYYRRGSA-N 0 0 194.234 1.886 10 0 ADAERN CCc1cccc(N[C@H](C)CCO)n1 1165938097 760858472 /nfs/dbraw/zinc/85/84/72/760858472.db2.gz LMPRIDUDNROGBW-SECBINFHSA-N 0 0 194.278 1.827 10 0 ADAERN COCC(C)(C)Nc1ncncc1C 1166002768 760859009 /nfs/dbraw/zinc/85/90/09/760859009.db2.gz PLDASFHZBWKIOX-UHFFFAOYSA-N 0 0 195.266 1.622 10 0 ADAERN O=C1CN(c2cccc(C3CC3)n2)C1 1166740021 760860562 /nfs/dbraw/zinc/86/05/62/760860562.db2.gz UEWATFOISHAXNQ-UHFFFAOYSA-N 0 0 188.230 1.348 10 0 ADAERN CCc1cn(Cc2nnc(C)o2)cn1 1166823002 760860609 /nfs/dbraw/zinc/86/06/09/760860609.db2.gz PWMGZAZQKHUNTC-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN Cc1cc(C)nc(N2CC(=O)C2)c1 1166735270 760860956 /nfs/dbraw/zinc/86/09/56/760860956.db2.gz YUPFFPITVVDXJD-UHFFFAOYSA-N 0 0 176.219 1.088 10 0 ADAERN CCOCCn1cnc(CC)c1 1166823821 760861634 /nfs/dbraw/zinc/86/16/34/760861634.db2.gz YEIOJSGIOCUEAF-UHFFFAOYSA-N 0 0 168.240 1.482 10 0 ADAERN CCc1cn(Cc2nc(C)no2)cn1 1166822870 760861915 /nfs/dbraw/zinc/86/19/15/760861915.db2.gz OJCDGGBUIRDGAD-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN Cc1nc(NC(=O)[C@@H]2C[C@@H]2C)oc1C 1167297463 760864287 /nfs/dbraw/zinc/86/42/87/760864287.db2.gz VKPRHSLTRHOLLT-YLWLKBPMSA-N 0 0 194.234 1.886 10 0 ADAERN Cc1nc(NC(=O)[C@@H]2C[C@H]2C)oc1C 1167297460 760864624 /nfs/dbraw/zinc/86/46/24/760864624.db2.gz VKPRHSLTRHOLLT-SVGQVSJJSA-N 0 0 194.234 1.886 10 0 ADAERN Cc1nc(NC(=O)[C@H]2C[C@@H]2C)oc1C 1167297461 760865762 /nfs/dbraw/zinc/86/57/62/760865762.db2.gz VKPRHSLTRHOLLT-XNCJUZBTSA-N 0 0 194.234 1.886 10 0 ADAERN Cc1cncnc1NC(C)(C)CCO 1167739446 760869333 /nfs/dbraw/zinc/86/93/33/760869333.db2.gz JIBCRNKYSUQXTN-UHFFFAOYSA-N 0 0 195.266 1.358 10 0 ADAERN O=c1cc(Cn2ccnc2)cc[nH]1 1167728196 760869268 /nfs/dbraw/zinc/86/92/68/760869268.db2.gz KMNSCTXQCMRGAC-UHFFFAOYSA-N 0 0 175.191 1.032 10 0 ADAERN CCCOCCNc1ncncc1C 1167873471 760874521 /nfs/dbraw/zinc/87/45/21/760874521.db2.gz VWAPEZOHIUSGPG-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN FC1(F)C[C@H]1N[C@H]1C[C@@H]2C[C@@H]2C1 1167892033 760876481 /nfs/dbraw/zinc/87/64/81/760876481.db2.gz RBKHLKWYOSPOGZ-ULAWRXDQSA-N 0 0 173.206 1.782 10 0 ADAERN FC1(F)C[C@@H]1N[C@H]1C[C@@H]2C[C@@H]2C1 1167892039 760876536 /nfs/dbraw/zinc/87/65/36/760876536.db2.gz RBKHLKWYOSPOGZ-YWIQKCBGSA-N 0 0 173.206 1.782 10 0 ADAERN FC1(F)C[C@@H]1N[C@@H]1C[C@@H]2C[C@@H]2C1 1167892026 760877268 /nfs/dbraw/zinc/87/72/68/760877268.db2.gz RBKHLKWYOSPOGZ-OSMVPFSASA-N 0 0 173.206 1.782 10 0 ADAERN FC1(F)C[C@H]1N[C@@H]1C[C@@H]2C[C@@H]2C1 1167892035 760877373 /nfs/dbraw/zinc/87/73/73/760877373.db2.gz RBKHLKWYOSPOGZ-VGRMVHKJSA-N 0 0 173.206 1.782 10 0 ADAERN CC[C@H](C)Nc1nnc(Cl)nn1 1167997786 760887109 /nfs/dbraw/zinc/88/71/09/760887109.db2.gz BLXOCIOKYPOHKQ-BYPYZUCNSA-N 0 0 187.634 1.130 10 0 ADAERN CC[C@@H](C)Nc1nnc(Cl)nn1 1167997793 760888344 /nfs/dbraw/zinc/88/83/44/760888344.db2.gz BLXOCIOKYPOHKQ-SCSAIBSYSA-N 0 0 187.634 1.130 10 0 ADAERN CC[C@H](C)Nc1ncncc1C 1168000971 760889219 /nfs/dbraw/zinc/88/92/19/760889219.db2.gz URQIZKHBPOYCDU-QMMMGPOBSA-N 0 0 165.240 1.995 10 0 ADAERN CC[C@@H](C)Nc1ncncc1C 1168000970 760890016 /nfs/dbraw/zinc/89/00/16/760890016.db2.gz URQIZKHBPOYCDU-MRVPVSSYSA-N 0 0 165.240 1.995 10 0 ADAERN C[C@@H]1C[C@H](N[C@H]2CC2(F)F)CCO1 1168071749 760890560 /nfs/dbraw/zinc/89/05/60/760890560.db2.gz NCHOBUVYDQHDEX-PRJMDXOYSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@@H]1C[C@@H](N[C@H]2CC2(F)F)CCO1 1168071747 760891525 /nfs/dbraw/zinc/89/15/25/760891525.db2.gz NCHOBUVYDQHDEX-CSMHCCOUSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@@H]1C[C@@H](N[C@@H]2CC2(F)F)CCO1 1168071748 760891946 /nfs/dbraw/zinc/89/19/46/760891946.db2.gz NCHOBUVYDQHDEX-GJMOJQLCSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@@H]1C[C@H](N[C@@H]2CC2(F)F)CCO1 1168071746 760892097 /nfs/dbraw/zinc/89/20/97/760892097.db2.gz NCHOBUVYDQHDEX-BWZBUEFSSA-N 0 0 191.221 1.551 10 0 ADAERN CCCNc1ccc(OC)c(OC)n1 1168130512 760892899 /nfs/dbraw/zinc/89/28/99/760892899.db2.gz HOYUFPGPFORJNT-UHFFFAOYSA-N 0 0 196.250 1.921 10 0 ADAERN CCCNc1ccc(N(C)C)cn1 1168131453 760893216 /nfs/dbraw/zinc/89/32/16/760893216.db2.gz DTSSIZSMGOBOON-UHFFFAOYSA-N 0 0 179.267 1.970 10 0 ADAERN CCCNc1cc(C(=O)OC)cnn1 1168132954 760895760 /nfs/dbraw/zinc/89/57/60/760895760.db2.gz ULLJOSRUXISZAW-UHFFFAOYSA-N 0 0 195.222 1.085 10 0 ADAERN CCCNc1cc(OC)cnn1 1168132044 760895765 /nfs/dbraw/zinc/89/57/65/760895765.db2.gz DJWIXSVPVHMFJA-UHFFFAOYSA-N 0 0 167.212 1.307 10 0 ADAERN CCCNc1ccnc(OC)n1 1168132944 760896326 /nfs/dbraw/zinc/89/63/26/760896326.db2.gz SNSARGQYBNCTFT-UHFFFAOYSA-N 0 0 167.212 1.307 10 0 ADAERN CCCNc1cncnc1CC 1168137674 760897415 /nfs/dbraw/zinc/89/74/15/760897415.db2.gz UKQNVHXQOLVTQE-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN Cc1cncnc1NC[C@H]1C[C@H](F)C1 1168238057 760898927 /nfs/dbraw/zinc/89/89/27/760898927.db2.gz RTAMRZGLXSGMLM-KYZUINATSA-N 0 0 195.241 1.945 10 0 ADAERN Cc1cncnc1NCC1CC(=O)C1 1168394857 760899193 /nfs/dbraw/zinc/89/91/93/760899193.db2.gz RYYJRVCUBGXLSE-UHFFFAOYSA-N 0 0 191.234 1.176 10 0 ADAERN CCc1ncncc1NC1CSC1 1168364830 760899224 /nfs/dbraw/zinc/89/92/24/760899224.db2.gz UZBQGRWOIKAMLA-UHFFFAOYSA-N 0 0 195.291 1.566 10 0 ADAERN CNc1ccnc(NC2CSC2)n1 1168359309 760899979 /nfs/dbraw/zinc/89/99/79/760899979.db2.gz HIVVBMGMVKTYNH-UHFFFAOYSA-N 0 0 196.279 1.046 10 0 ADAERN N#CNc1ncc(C(F)(F)F)cn1 1168630702 760905124 /nfs/dbraw/zinc/90/51/24/760905124.db2.gz BCSBCTLNTSMMGM-UHFFFAOYSA-N 0 0 188.112 1.388 10 0 ADAERN CN(C)c1ccc(NC#N)nc1 1168630682 760906024 /nfs/dbraw/zinc/90/60/24/760906024.db2.gz ANOSSYLZKJNLIR-UHFFFAOYSA-N 0 0 162.196 1.041 10 0 ADAERN Cc1nc(C)c(NC#N)nc1C 1168627936 760907944 /nfs/dbraw/zinc/90/79/44/760907944.db2.gz LBKPEDUZGHUXIA-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN N#CNc1cccn2ccnc12 1168628706 760911340 /nfs/dbraw/zinc/91/13/40/760911340.db2.gz SUZFHOWTCQOCDH-UHFFFAOYSA-N 0 0 158.164 1.227 10 0 ADAERN Cn1c(=O)oc2cc(NC#N)ccc21 1168630923 760915938 /nfs/dbraw/zinc/91/59/38/760915938.db2.gz IENGAGYZWDXFBR-UHFFFAOYSA-N 0 0 189.174 1.024 10 0 ADAERN Cc1cc(NC#N)cnc1C 1168631022 760921215 /nfs/dbraw/zinc/92/12/15/760921215.db2.gz JKEOOZLCEKXARL-UHFFFAOYSA-N 0 0 147.181 1.591 10 0 ADAERN NC(=O)CCNc1ccc(CF)cc1 1168954000 760925858 /nfs/dbraw/zinc/92/58/58/760925858.db2.gz FEVLGODARAIABV-UHFFFAOYSA-N 0 0 196.225 1.443 10 0 ADAERN Fc1ccc(NCC2OCCO2)nc1 1169064525 760927757 /nfs/dbraw/zinc/92/77/57/760927757.db2.gz PLRYVLLRDROKIV-UHFFFAOYSA-N 0 0 198.197 1.006 10 0 ADAERN Cc1ccc(NCC2OCCO2)nc1 1169059937 760929571 /nfs/dbraw/zinc/92/95/71/760929571.db2.gz IRUOHOJBRWDKEV-UHFFFAOYSA-N 0 0 194.234 1.175 10 0 ADAERN Nc1cccc(NCC2OCCO2)c1 1169065260 760931425 /nfs/dbraw/zinc/93/14/25/760931425.db2.gz AAEZTTCQCMFBMH-UHFFFAOYSA-N 0 0 194.234 1.054 10 0 ADAERN Fc1cccc(NCC2OCCO2)n1 1169064309 760931606 /nfs/dbraw/zinc/93/16/06/760931606.db2.gz KJZJDBQXVOFEEG-UHFFFAOYSA-N 0 0 198.197 1.006 10 0 ADAERN Cc1cccnc1NCC1OCCO1 1169059931 760936988 /nfs/dbraw/zinc/93/69/88/760936988.db2.gz IMICZNIQSOROEP-UHFFFAOYSA-N 0 0 194.234 1.175 10 0 ADAERN C=C/C=C\CC(=O)N[C@H]1C[C@H](OC)C1 1169561532 760967769 /nfs/dbraw/zinc/96/77/69/760967769.db2.gz SZOIGTMGOFDPAL-XJDKVVEHSA-N 0 0 195.262 1.412 10 0 ADAERN C=C/C=C/CC(=O)N[C@H]1C[C@H](OC)C1 1169561530 760981295 /nfs/dbraw/zinc/98/12/95/760981295.db2.gz SZOIGTMGOFDPAL-IDIHVXFPSA-N 0 0 195.262 1.412 10 0 ADAERN CCc1ncncc1NC[C@H](C)OC 1169776790 760995019 /nfs/dbraw/zinc/99/50/19/760995019.db2.gz LYDBVAXWYASHHW-QMMMGPOBSA-N 0 0 195.266 1.486 10 0 ADAERN CC[C@H]1C[C@@H](NC#N)CCO1 1170174912 761038835 /nfs/dbraw/zinc/03/88/35/761038835.db2.gz GFCLCGAMUAUWNO-YUMQZZPRSA-N 0 0 154.213 1.015 10 0 ADAERN CC[C@H]1C[C@H](NC#N)CCO1 1170174911 761040241 /nfs/dbraw/zinc/04/02/41/761040241.db2.gz GFCLCGAMUAUWNO-SFYZADRCSA-N 0 0 154.213 1.015 10 0 ADAERN CC[C@@H]1C[C@H](NC#N)CCO1 1170174909 761043869 /nfs/dbraw/zinc/04/38/69/761043869.db2.gz GFCLCGAMUAUWNO-HTQZYQBOSA-N 0 0 154.213 1.015 10 0 ADAERN CC[C@@H]1C[C@@H](NC#N)CCO1 1170174910 761044243 /nfs/dbraw/zinc/04/42/43/761044243.db2.gz GFCLCGAMUAUWNO-JGVFFNPUSA-N 0 0 154.213 1.015 10 0 ADAERN CC[C@H]1C[C@H]([N@H+](C)CC(C)=O)CCO1 1170208731 761044684 /nfs/dbraw/zinc/04/46/84/761044684.db2.gz RHDFAILQUIGYSX-MNOVXSKESA-N 0 0 199.294 1.465 10 0 ADAERN CC[C@@H]1C[C@H]([N@H+](C)CCF)CCO1 1170243008 761045940 /nfs/dbraw/zinc/04/59/40/761045940.db2.gz LLEFWLUFURYWJB-NXEZZACHSA-N 0 0 189.274 1.845 10 0 ADAERN CC[C@@H]1C[C@@H]([N@H+](C)CCF)CCO1 1170243011 761046278 /nfs/dbraw/zinc/04/62/78/761046278.db2.gz LLEFWLUFURYWJB-VHSXEESVSA-N 0 0 189.274 1.845 10 0 ADAERN CC[C@H]1C[C@@H]([N@H+](C)CC(C)=O)CCO1 1170208732 761046415 /nfs/dbraw/zinc/04/64/15/761046415.db2.gz RHDFAILQUIGYSX-QWRGUYRKSA-N 0 0 199.294 1.465 10 0 ADAERN CC[C@H]1C[C@H]([N@H+](C)CCF)CCO1 1170243012 761047663 /nfs/dbraw/zinc/04/76/63/761047663.db2.gz LLEFWLUFURYWJB-ZJUUUORDSA-N 0 0 189.274 1.845 10 0 ADAERN CC[C@H]1C[C@@H]([N@H+](C)CCF)CCO1 1170243010 761048201 /nfs/dbraw/zinc/04/82/01/761048201.db2.gz LLEFWLUFURYWJB-UWVGGRQHSA-N 0 0 189.274 1.845 10 0 ADAERN CCC(=O)N[C@@H]1CC(C)(C)CC[C@H]1O 1170482692 761048317 /nfs/dbraw/zinc/04/83/17/761048317.db2.gz VSCRZUPKDKUUBH-RKDXNWHRSA-N 0 0 199.294 1.452 10 0 ADAERN CC[C@@H]1C[C@H]([N@H+](C)CC(C)=O)CCO1 1170208730 761049042 /nfs/dbraw/zinc/04/90/42/761049042.db2.gz RHDFAILQUIGYSX-GHMZBOCLSA-N 0 0 199.294 1.465 10 0 ADAERN CC[C@@H]1C[C@@H]([N@H+](C)CC(C)=O)CCO1 1170208733 761050411 /nfs/dbraw/zinc/05/04/11/761050411.db2.gz RHDFAILQUIGYSX-WDEREUQCSA-N 0 0 199.294 1.465 10 0 ADAERN FC1(F)C[C@H]1N[C@H]1CCCOCC1 1170771226 761062734 /nfs/dbraw/zinc/06/27/34/761062734.db2.gz PVPXLZNVVLXCAX-JGVFFNPUSA-N 0 0 191.221 1.553 10 0 ADAERN FC1(F)C[C@H]1N[C@@H]1CCCOCC1 1170771225 761063834 /nfs/dbraw/zinc/06/38/34/761063834.db2.gz PVPXLZNVVLXCAX-HTQZYQBOSA-N 0 0 191.221 1.553 10 0 ADAERN FC1(F)C[C@@H]1N[C@H]1CCCOCC1 1170771228 761064014 /nfs/dbraw/zinc/06/40/14/761064014.db2.gz PVPXLZNVVLXCAX-YUMQZZPRSA-N 0 0 191.221 1.553 10 0 ADAERN FC1(F)C[C@@H]1N[C@@H]1CCCOCC1 1170771227 761065342 /nfs/dbraw/zinc/06/53/42/761065342.db2.gz PVPXLZNVVLXCAX-SFYZADRCSA-N 0 0 191.221 1.553 10 0 ADAERN C[C@H]1CC(=O)NN1CCC(F)(F)F 1170958110 761075334 /nfs/dbraw/zinc/07/53/34/761075334.db2.gz JMDPRFDBRAWPAO-YFKPBYRVSA-N 0 0 196.172 1.064 10 0 ADAERN C[C@@H]1CC(=O)NN1CCC(F)(F)F 1170958109 761075643 /nfs/dbraw/zinc/07/56/43/761075643.db2.gz JMDPRFDBRAWPAO-RXMQYKEDSA-N 0 0 196.172 1.064 10 0 ADAERN CC1(C)C[C@@H](N[C@H]2CC2(F)F)CO1 1172266865 761093925 /nfs/dbraw/zinc/09/39/25/761093925.db2.gz PUYXYNLPKXCTST-RQJHMYQMSA-N 0 0 191.221 1.551 10 0 ADAERN CC1(C)C[C@H](N[C@H]2CC2(F)F)CO1 1172266861 761095041 /nfs/dbraw/zinc/09/50/41/761095041.db2.gz PUYXYNLPKXCTST-BQBZGAKWSA-N 0 0 191.221 1.551 10 0 ADAERN CC1(C)C[C@@H](N[C@@H]2CC2(F)F)CO1 1172266864 761096262 /nfs/dbraw/zinc/09/62/62/761096262.db2.gz PUYXYNLPKXCTST-RNFRBKRXSA-N 0 0 191.221 1.551 10 0 ADAERN CC1(C)C[C@H](N[C@@H]2CC2(F)F)CO1 1172266863 761096711 /nfs/dbraw/zinc/09/67/11/761096711.db2.gz PUYXYNLPKXCTST-NKWVEPMBSA-N 0 0 191.221 1.551 10 0 ADAERN CC1(F)CN([C@H]2COC(C)(C)C2)C1 1172283336 761099797 /nfs/dbraw/zinc/09/97/97/761099797.db2.gz JYUKNMXYKTWZTR-MRVPVSSYSA-N 0 0 187.258 1.598 10 0 ADAERN CC1(C)C[C@@H](N2CCC23COC3)CO1 1172286702 761099433 /nfs/dbraw/zinc/09/94/33/761099433.db2.gz LDCLVTHIWJJUCM-SECBINFHSA-N 0 0 197.278 1.029 10 0 ADAERN C[C@@H]1COCC[N@@H+]1[C@@H]1COC(C)(C)C1 1172283743 761099924 /nfs/dbraw/zinc/09/99/24/761099924.db2.gz LTMWNTXVIWZZBT-ZJUUUORDSA-N 0 0 199.294 1.275 10 0 ADAERN CC1(C)C[C@@H](N2CCCCO2)CO1 1172284804 761100368 /nfs/dbraw/zinc/10/03/68/761100368.db2.gz YFPZVHYWDIBOKR-SECBINFHSA-N 0 0 185.267 1.581 10 0 ADAERN CC1(F)CN([C@@H]2COC(C)(C)C2)C1 1172283338 761100860 /nfs/dbraw/zinc/10/08/60/761100860.db2.gz JYUKNMXYKTWZTR-QMMMGPOBSA-N 0 0 187.258 1.598 10 0 ADAERN COC1(C)CN([C@H]2COC(C)(C)C2)C1 1172282498 761101153 /nfs/dbraw/zinc/10/11/53/761101153.db2.gz CXVVUMLOJNICIT-SECBINFHSA-N 0 0 199.294 1.275 10 0 ADAERN CC1(C)C[C@H](N2CC(F)(F)C2)CO1 1172281084 761101417 /nfs/dbraw/zinc/10/14/17/761101417.db2.gz YBBQZVCTFDLLFK-ZETCQYMHSA-N 0 0 191.221 1.505 10 0 ADAERN CC1(C)C[C@@H](N2CCCC(=O)C2)CO1 1172287126 761102344 /nfs/dbraw/zinc/10/23/44/761102344.db2.gz QUWPOHMRZTXHBW-SECBINFHSA-N 0 0 197.278 1.219 10 0 ADAERN CC1(C)C[C@@H](N2CC(F)(F)C2)CO1 1172281083 761102465 /nfs/dbraw/zinc/10/24/65/761102465.db2.gz YBBQZVCTFDLLFK-SSDOTTSWSA-N 0 0 191.221 1.505 10 0 ADAERN CC1(C)C[C@H](N2CCO[C@H]3C[C@H]32)CO1 1172293496 761102823 /nfs/dbraw/zinc/10/28/23/761102823.db2.gz QQVABEKTLAXBQB-AEJSXWLSSA-N 0 0 197.278 1.027 10 0 ADAERN CC1(C)C[C@H](N2C[C@@H]3C[C@H](C2)O3)CO1 1172287983 761103391 /nfs/dbraw/zinc/10/33/91/761103391.db2.gz DFOZWVAYJAGTDA-LPEHRKFASA-N 0 0 197.278 1.027 10 0 ADAERN C[C@@H]1COCC[N@@H+]1[C@H]1COC(C)(C)C1 1172283737 761103585 /nfs/dbraw/zinc/10/35/85/761103585.db2.gz LTMWNTXVIWZZBT-NXEZZACHSA-N 0 0 199.294 1.275 10 0 ADAERN CC1(C)C[C@H](N2CC3(CCO3)C2)CO1 1172287652 761104792 /nfs/dbraw/zinc/10/47/92/761104792.db2.gz ACDLUIDNYHMCGN-VIFPVBQESA-N 0 0 197.278 1.029 10 0 ADAERN CC1(C)C[C@H](N2CCC23COC3)CO1 1172286703 761105116 /nfs/dbraw/zinc/10/51/16/761105116.db2.gz LDCLVTHIWJJUCM-VIFPVBQESA-N 0 0 197.278 1.029 10 0 ADAERN CC1(C)C[C@H](N2CC(F)C2)CO1 1172281086 761105642 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KYIKRYYUYMMAOY-QMMMGPOBSA-N 0 0 163.224 1.071 10 0 ADAERN c1cc(CN2CC[C@@]23CCOC3)no1 1209569090 762321051 /nfs/dbraw/zinc/32/10/51/762321051.db2.gz CVQUUNQKRIYBPO-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN C[C@@H]1CCN1Cc1cnccn1 1209782919 762321101 /nfs/dbraw/zinc/32/11/01/762321101.db2.gz KYIKRYYUYMMAOY-MRVPVSSYSA-N 0 0 163.224 1.071 10 0 ADAERN COc1cc(CN(C)CCF)ccn1 1209645289 762321545 /nfs/dbraw/zinc/32/15/45/762321545.db2.gz XPRNLXMJMPBNRZ-UHFFFAOYSA-N 0 0 198.241 1.492 10 0 ADAERN c1cnc(CN2CCCCO2)cn1 1209783098 762321580 /nfs/dbraw/zinc/32/15/80/762321580.db2.gz ORKXNJDWCKMGMW-UHFFFAOYSA-N 0 0 179.223 1.004 10 0 ADAERN F[C@H]1CCN(Cc2cnccn2)C1 1209782552 762321653 /nfs/dbraw/zinc/32/16/53/762321653.db2.gz JESXHVQFUFQOJY-QMMMGPOBSA-N 0 0 181.214 1.020 10 0 ADAERN c1cc(CN2CC[C@]23CCOC3)no1 1209569092 762322047 /nfs/dbraw/zinc/32/20/47/762322047.db2.gz CVQUUNQKRIYBPO-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN CC1(F)CN(Cc2cnccn2)C1 1209783886 762322446 /nfs/dbraw/zinc/32/24/46/762322446.db2.gz ZNCNXMVHISDSSR-UHFFFAOYSA-N 0 0 181.214 1.020 10 0 ADAERN Cc1ccc(-n2nccc2N)nc1 1211007129 762357493 /nfs/dbraw/zinc/35/74/93/762357493.db2.gz ODGRGBJMLMGBSE-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccc(-n2nc(C)cc2N)nc1 1211006282 762358647 /nfs/dbraw/zinc/35/86/47/762358647.db2.gz KONGDAJMTMBLJI-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Nc1ncccc1Nc1nccs1 1212389381 762370191 /nfs/dbraw/zinc/37/01/91/762370191.db2.gz SRVBMMSCGDQPQP-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN Nc1ncccc1Nc1ncco1 1212391493 762371869 /nfs/dbraw/zinc/37/18/69/762371869.db2.gz PNZIWKIJNKFHFW-UHFFFAOYSA-N 0 0 176.179 1.395 10 0 ADAERN CN[C@@H](C)c1nnc([C@@H]2C[C@H]2C)o1 1217698270 763883621 /nfs/dbraw/zinc/88/36/21/763883621.db2.gz GZHQHCLWTVMRMH-DSYKOEDSSA-N 0 0 181.239 1.473 10 0 ADAERN CO[C@@H](COCCO)c1ccccc1 1217834487 763895669 /nfs/dbraw/zinc/89/56/69/763895669.db2.gz FKAXMOSFMREELN-NSHDSACASA-N 0 0 196.246 1.383 10 0 ADAERN CC1(C)CC(COC2CC(O)C2)C1 1217847525 763897576 /nfs/dbraw/zinc/89/75/76/763897576.db2.gz BUBAKUMGJFFLPR-UHFFFAOYSA-N 0 0 184.279 1.963 10 0 ADAERN OC1CC(OCc2ccsc2)C1 1217848720 763897645 /nfs/dbraw/zinc/89/76/45/763897645.db2.gz FAIHGAOALHOZCL-UHFFFAOYSA-N 0 0 184.260 1.788 10 0 ADAERN OCCCO[C@@H]1CCCC[C@@H]1F 1217896035 763908215 /nfs/dbraw/zinc/90/82/15/763908215.db2.gz HHAXPDJCAZCIQX-DTWKUNHWSA-N 0 0 176.231 1.666 10 0 ADAERN OCCCO[C@H]1CCCC[C@@H]1F 1217896036 763909263 /nfs/dbraw/zinc/90/92/63/763909263.db2.gz HHAXPDJCAZCIQX-IUCAKERBSA-N 0 0 176.231 1.666 10 0 ADAERN C[C@@H]1CCC[C@H](OCCO)[C@@H]1C 1217892828 763909546 /nfs/dbraw/zinc/90/95/46/763909546.db2.gz IHMOBOFNGAFMBZ-BBBLOLIVSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H]1[C@@H](OCCO)CCC[C@H]1C 1217892831 763909953 /nfs/dbraw/zinc/90/99/53/763909953.db2.gz IHMOBOFNGAFMBZ-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN OCCCO[C@H]1CCCC[C@H]1F 1217896034 763911066 /nfs/dbraw/zinc/91/10/66/763911066.db2.gz HHAXPDJCAZCIQX-BDAKNGLRSA-N 0 0 176.231 1.666 10 0 ADAERN C[C@@H]1CCC[C@@H](OCCO)[C@@H]1C 1217892830 763911468 /nfs/dbraw/zinc/91/14/68/763911468.db2.gz IHMOBOFNGAFMBZ-OPRDCNLKSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H]1[C@H](C)CCC[C@H]1OCCO 1217892829 763911706 /nfs/dbraw/zinc/91/17/06/763911706.db2.gz IHMOBOFNGAFMBZ-KXUCPTDWSA-N 0 0 172.268 1.820 10 0 ADAERN OCCCO[C@@H]1CCCC[C@H]1F 1217896037 763912037 /nfs/dbraw/zinc/91/20/37/763912037.db2.gz HHAXPDJCAZCIQX-RKDXNWHRSA-N 0 0 176.231 1.666 10 0 ADAERN OCCO[C@@H]1CCCC[C@@H]1F 1217897657 763914841 /nfs/dbraw/zinc/91/48/41/763914841.db2.gz QTUMTHMZWMNOTD-JGVFFNPUSA-N 0 0 162.204 1.276 10 0 ADAERN OCCO[C@H]1CCCC[C@H]1F 1217897660 763916080 /nfs/dbraw/zinc/91/60/80/763916080.db2.gz QTUMTHMZWMNOTD-SFYZADRCSA-N 0 0 162.204 1.276 10 0 ADAERN OCCO[C@@H]1CCCC[C@H]1F 1217897655 763916415 /nfs/dbraw/zinc/91/64/15/763916415.db2.gz QTUMTHMZWMNOTD-HTQZYQBOSA-N 0 0 162.204 1.276 10 0 ADAERN OCCO[C@H]1CCCC[C@@H]1F 1217897663 763917268 /nfs/dbraw/zinc/91/72/68/763917268.db2.gz QTUMTHMZWMNOTD-YUMQZZPRSA-N 0 0 162.204 1.276 10 0 ADAERN CO[C@H](C)COc1ncccc1N 1218285405 763945450 /nfs/dbraw/zinc/94/54/50/763945450.db2.gz BNZVNLGIFOIPGZ-SSDOTTSWSA-N 0 0 182.223 1.078 10 0 ADAERN O[C@H]1C[C@H](COc2cccnc2)C1 1218423016 763955070 /nfs/dbraw/zinc/95/50/70/763955070.db2.gz AVWDYQLMMADHPO-KYZUINATSA-N 0 0 179.219 1.231 10 0 ADAERN O[C@H]1C[C@@H](COc2cccnc2)C1 1218429515 763957764 /nfs/dbraw/zinc/95/77/64/763957764.db2.gz AVWDYQLMMADHPO-DTORHVGOSA-N 0 0 179.219 1.231 10 0 ADAERN O[C@H]1C[C@H](COc2ccccc2)C1 1218423887 763962827 /nfs/dbraw/zinc/96/28/27/763962827.db2.gz PLPUYSLDBBOEBB-MGCOHNPYSA-N 0 0 178.231 1.836 10 0 ADAERN C[C@@H]([NH3+])C(=O)Nc1ccccc1[S-] 1218830689 763976862 /nfs/dbraw/zinc/97/68/62/763976862.db2.gz KHXPOAKEXXGWJA-ZCFIWIBFSA-N 0 0 196.275 1.261 10 0 ADAERN CCC[C@H](CC)Nc1nnn[n-]1 95276760 1423307363 /nfs/dbraw/zinc/30/73/63/1423307363.db2.gz CFTGSDFCXRBUTN-LURJTMIESA-N 0 0 169.232 1.190 10 0 ADAERN CO[C@@H](C)CC(=O)OC(C)(C)C 1222699221 764086754 /nfs/dbraw/zinc/08/67/54/764086754.db2.gz NWMBYMAFFASDOE-ZETCQYMHSA-N 0 0 174.240 1.753 10 0 ADAERN Fc1cc(F)cc(Nc2nnn[n-]2)c1 95336868 1423317098 /nfs/dbraw/zinc/31/70/98/1423317098.db2.gz YGVRPDYYWZPIJJ-UHFFFAOYSA-N 0 0 197.148 1.222 10 0 ADAERN CCCCC[C@@H](C)[NH2+]Cc1nnn[n-]1 44928095 1423351797 /nfs/dbraw/zinc/35/17/97/1423351797.db2.gz GCAIWKUDMZFOOT-MRVPVSSYSA-N 0 0 197.286 1.258 10 0 ADAERN O=C1CC(OCc2ccsc2)C1 1223336984 764160466 /nfs/dbraw/zinc/16/04/66/764160466.db2.gz SIWKVPJDAUXZEW-UHFFFAOYSA-N 0 0 182.244 1.996 10 0 ADAERN COCCCCO[C@H](C)C(C)=O 1224319229 764187614 /nfs/dbraw/zinc/18/76/14/764187614.db2.gz FQLHFQJRGBVTCC-SECBINFHSA-N 0 0 174.240 1.407 10 0 ADAERN COCCCCO[C@@H](C)C(C)=O 1224319230 764187748 /nfs/dbraw/zinc/18/77/48/764187748.db2.gz FQLHFQJRGBVTCC-VIFPVBQESA-N 0 0 174.240 1.407 10 0 ADAERN COCCCCOC1CC(=O)C1 1224316808 764189554 /nfs/dbraw/zinc/18/95/54/764189554.db2.gz FAGOSLTWGFVOAY-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN CC(C)C(C(C)C)[C@H]([NH3+])c1nnn[n-]1 308499547 1423413559 /nfs/dbraw/zinc/41/35/59/1423413559.db2.gz VGXBZQCEDXIGHH-QMMMGPOBSA-N 0 0 197.286 1.128 10 0 ADAERN C[C@@H]1CCCC[C@@H]1Nc1nnn[n-]1 95254913 1423416814 /nfs/dbraw/zinc/41/68/14/1423416814.db2.gz CGFSCZHCUPTRFK-RQJHMYQMSA-N 0 0 181.243 1.190 10 0 ADAERN COC(=O)/C=C/CO[C@H]1CC[C@H](C)C1 1224492214 764216177 /nfs/dbraw/zinc/21/61/77/764216177.db2.gz JEJTUCASCZPIIG-OHINUGQQSA-N 0 0 198.262 1.921 10 0 ADAERN COC(=O)/C=C/CO[C@H]1CC[C@@H](C)C1 1224492215 764216831 /nfs/dbraw/zinc/21/68/31/764216831.db2.gz JEJTUCASCZPIIG-OKWQPMOJSA-N 0 0 198.262 1.921 10 0 ADAERN COC(=O)/C=C/COC1CC=CC1 1224494271 764217751 /nfs/dbraw/zinc/21/77/51/764217751.db2.gz MKIRUDKROVZFAL-QPJJXVBHSA-N 0 0 182.219 1.451 10 0 ADAERN C[C@@H](OCCF)C(=O)OC(C)(C)C 1224673151 764243571 /nfs/dbraw/zinc/24/35/71/764243571.db2.gz ZNILFPPKKOTTKL-SSDOTTSWSA-N 0 0 192.230 1.703 10 0 ADAERN CCOC(=O)[C@H](CC)OCCF 1224671930 764244941 /nfs/dbraw/zinc/24/49/41/764244941.db2.gz MJTIBXYEDUVBMB-ZETCQYMHSA-N 0 0 178.203 1.314 10 0 ADAERN CCOC(=O)[C@@H](CC)OCCF 1224671929 764245003 /nfs/dbraw/zinc/24/50/03/764245003.db2.gz MJTIBXYEDUVBMB-SSDOTTSWSA-N 0 0 178.203 1.314 10 0 ADAERN CCC[C@@H](OCCF)C(=O)OCC 1224675062 764245931 /nfs/dbraw/zinc/24/59/31/764245931.db2.gz TWAVOPFJUVHAQY-MRVPVSSYSA-N 0 0 192.230 1.704 10 0 ADAERN CCC[C@H](OCCF)C(=O)OCC 1224675066 764246108 /nfs/dbraw/zinc/24/61/08/764246108.db2.gz TWAVOPFJUVHAQY-QMMMGPOBSA-N 0 0 192.230 1.704 10 0 ADAERN COC(=O)C[C@@H](C)OCCC1CC1 1224758808 764259380 /nfs/dbraw/zinc/25/93/80/764259380.db2.gz MQGZNTYMHSOUBH-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN NC(=O)CCO[C@@H]1CCCC[C@H]1F 1224817978 764268491 /nfs/dbraw/zinc/26/84/91/764268491.db2.gz FOHKUSRWTOKQDY-HTQZYQBOSA-N 0 0 189.230 1.159 10 0 ADAERN NC(=O)CCO[C@H]1CCCC[C@@H]1F 1224817981 764269182 /nfs/dbraw/zinc/26/91/82/764269182.db2.gz FOHKUSRWTOKQDY-YUMQZZPRSA-N 0 0 189.230 1.159 10 0 ADAERN NC(=O)CCO[C@@H]1CCCC[C@@H]1F 1224817979 764269449 /nfs/dbraw/zinc/26/94/49/764269449.db2.gz FOHKUSRWTOKQDY-JGVFFNPUSA-N 0 0 189.230 1.159 10 0 ADAERN CCC[C@@H](CC)OCCC(N)=O 1224813653 764269576 /nfs/dbraw/zinc/26/95/76/764269576.db2.gz ICURNVPVDFRMSM-MRVPVSSYSA-N 0 0 173.256 1.457 10 0 ADAERN CCC[C@H](CC)OCCC(N)=O 1224813654 764270454 /nfs/dbraw/zinc/27/04/54/764270454.db2.gz ICURNVPVDFRMSM-QMMMGPOBSA-N 0 0 173.256 1.457 10 0 ADAERN NC(=O)CCO[C@H]1CCCC[C@H]1F 1224817980 764270926 /nfs/dbraw/zinc/27/09/26/764270926.db2.gz FOHKUSRWTOKQDY-SFYZADRCSA-N 0 0 189.230 1.159 10 0 ADAERN C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1nnn[n-]1 44924843 1423474122 /nfs/dbraw/zinc/47/41/22/1423474122.db2.gz WXQABTIJUKAKNQ-BQBZGAKWSA-N 0 0 195.270 1.039 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H]([NH3+])c2nnn[n-]2)C1 227549098 1423474536 /nfs/dbraw/zinc/47/45/36/1423474536.db2.gz SZNHVKUSJKRSQA-BWZBUEFSSA-N 0 0 195.270 1.026 10 0 ADAERN CCCCCC[C@H]([NH3+])c1nnn[n-]1 40396994 1423479047 /nfs/dbraw/zinc/47/90/47/1423479047.db2.gz GJMWBWWTXSRCOZ-ZETCQYMHSA-N 0 0 183.259 1.170 10 0 ADAERN COC(=O)C[C@@H](C)OCCSC 1225039221 764283098 /nfs/dbraw/zinc/28/30/98/764283098.db2.gz HEWNLZYUBPAVFL-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN C[C@H]1OCC[C@H]1COc1cccnc1 1225283187 764298472 /nfs/dbraw/zinc/29/84/72/764298472.db2.gz GVKVWRILNNXILP-ZJUUUORDSA-N 0 0 193.246 1.885 10 0 ADAERN CCn1c(C)cc(OC(C)C)cc1=O 1225440887 764312223 /nfs/dbraw/zinc/31/22/23/764312223.db2.gz JFNXRTFBRNJILJ-UHFFFAOYSA-N 0 0 195.262 1.964 10 0 ADAERN CC(C)C[C@H](C)[NH2+][C@H](C)c1nnn[n-]1 44888520 1423522277 /nfs/dbraw/zinc/52/22/77/1423522277.db2.gz YLJPRQSIYGXPBL-JGVFFNPUSA-N 0 0 197.286 1.285 10 0 ADAERN CO[C@H](C)COc1cccc(N)n1 1225754665 764332550 /nfs/dbraw/zinc/33/25/50/764332550.db2.gz AVEDSZMTQHLESU-SSDOTTSWSA-N 0 0 182.223 1.078 10 0 ADAERN Cc1cc(OC2COC2)cnc1Cl 1225821662 764334616 /nfs/dbraw/zinc/33/46/16/764334616.db2.gz BJFSTVHIXTWEMA-UHFFFAOYSA-N 0 0 199.637 1.821 10 0 ADAERN Cc1c(OC(C)C)nc[nH]c1=O 1226071542 764339180 /nfs/dbraw/zinc/33/91/80/764339180.db2.gz RPIHALWJUOUUFD-UHFFFAOYSA-N 0 0 168.196 1.278 10 0 ADAERN COC(=O)[C@@H](C)Oc1cccnc1F 1226184694 764341884 /nfs/dbraw/zinc/34/18/84/764341884.db2.gz JUORMCMDLMUKKH-ZCFIWIBFSA-N 0 0 199.181 1.161 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@H]([NH3+])c1nnn[n-]1 307032274 1423533568 /nfs/dbraw/zinc/53/35/68/1423533568.db2.gz PXSQBEFTLINCNI-PRJMDXOYSA-N 0 0 195.270 1.026 10 0 ADAERN CO[C@H](C)COc1cccc(F)n1 1226191371 764346194 /nfs/dbraw/zinc/34/61/94/764346194.db2.gz ZXOVUNKCYQJQDI-SSDOTTSWSA-N 0 0 185.198 1.634 10 0 ADAERN CO[C@H](C)COc1ccc(N)nc1 1226778696 764384804 /nfs/dbraw/zinc/38/48/04/764384804.db2.gz YSSAPRWKYWXAQU-SSDOTTSWSA-N 0 0 182.223 1.078 10 0 ADAERN CC[C@@H](COc1cccc[n+]1[O-])OC 1226799807 764384846 /nfs/dbraw/zinc/38/48/46/764384846.db2.gz BEWKGKRLBSHGFY-VIFPVBQESA-N 0 0 197.234 1.124 10 0 ADAERN CO[C@H](C)COc1ccnc(F)c1 1226788857 764385651 /nfs/dbraw/zinc/38/56/51/764385651.db2.gz ZOMIXDQVXUYPAL-SSDOTTSWSA-N 0 0 185.198 1.634 10 0 ADAERN CC[C@H](COc1cccc[n+]1[O-])OC 1226799806 764386575 /nfs/dbraw/zinc/38/65/75/764386575.db2.gz BEWKGKRLBSHGFY-SECBINFHSA-N 0 0 197.234 1.124 10 0 ADAERN CC(=O)c1ncccc1OC1CC1 1227984434 764446283 /nfs/dbraw/zinc/44/62/83/764446283.db2.gz SZBDLAVWXLIBHR-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN CC(C)CC[C@H](C)[NH2+]Cc1nnn[n-]1 44928029 1423622517 /nfs/dbraw/zinc/62/25/17/1423622517.db2.gz AIKRWDALHYKHCZ-QMMMGPOBSA-N 0 0 197.286 1.114 10 0 ADAERN C[C@H]1OCC[C@H]1COc1cn[nH]c1 1228322163 764470807 /nfs/dbraw/zinc/47/08/07/764470807.db2.gz CQSPWAJFZJWGSX-SFYZADRCSA-N 0 0 182.223 1.214 10 0 ADAERN C[C@H]1CCC[C@H](Nc2nnn[n-]2)C1 95254233 1423654845 /nfs/dbraw/zinc/65/48/45/1423654845.db2.gz DTJZJUVHODEAQK-BQBZGAKWSA-N 0 0 181.243 1.190 10 0 ADAERN C[C@@H](F)CCNC(=O)N1CCC1 1228954662 764487492 /nfs/dbraw/zinc/48/74/92/764487492.db2.gz OOWOISVCAWEDSP-SSDOTTSWSA-N 0 0 174.219 1.150 10 0 ADAERN C[C@@H](F)CCNC(=O)N1CCCO1 1228956776 764487916 /nfs/dbraw/zinc/48/79/16/764487916.db2.gz YOJBGYUGUKWLIF-SSDOTTSWSA-N 0 0 190.218 1.081 10 0 ADAERN C[C@H](F)CCNC(=O)N1CCCO1 1228956780 764489936 /nfs/dbraw/zinc/48/99/36/764489936.db2.gz YOJBGYUGUKWLIF-ZETCQYMHSA-N 0 0 190.218 1.081 10 0 ADAERN C[C@H](F)CCNC(=O)N1CCC1 1228954667 764490944 /nfs/dbraw/zinc/49/09/44/764490944.db2.gz OOWOISVCAWEDSP-ZETCQYMHSA-N 0 0 174.219 1.150 10 0 ADAERN O=c1cc[nH]cc1OC1CCCC1 1229509333 764502545 /nfs/dbraw/zinc/50/25/45/764502545.db2.gz MDHCOUWSCJQPTH-UHFFFAOYSA-N 0 0 179.219 1.696 10 0 ADAERN Fc1ccccc1Nc1nnn[n-]1 95237736 1423674252 /nfs/dbraw/zinc/67/42/52/1423674252.db2.gz POFFICIYHIJKNB-UHFFFAOYSA-N 0 0 179.158 1.082 10 0 ADAERN Cn1cc(O[C@H]2C=CCC2)cn1 1231184005 764526424 /nfs/dbraw/zinc/52/64/24/764526424.db2.gz YLCIULQKVFYZJD-QMMMGPOBSA-N 0 0 164.208 1.518 10 0 ADAERN Cn1cc(O[C@@H]2C=CCC2)cn1 1231184004 764528155 /nfs/dbraw/zinc/52/81/55/764528155.db2.gz YLCIULQKVFYZJD-MRVPVSSYSA-N 0 0 164.208 1.518 10 0 ADAERN CCOc1ccc(CN2CCC2)cn1 1231649293 764534790 /nfs/dbraw/zinc/53/47/90/764534790.db2.gz LATSWAADZSEIHJ-UHFFFAOYSA-N 0 0 192.262 1.686 10 0 ADAERN c1cc(CN2CCC23COC3)sn1 1232192178 764535894 /nfs/dbraw/zinc/53/58/94/764535894.db2.gz VUKQPELGOHYQIZ-UHFFFAOYSA-N 0 0 196.275 1.118 10 0 ADAERN CN(CCF)Cc1cnsc1 1232232403 764536035 /nfs/dbraw/zinc/53/60/35/764536035.db2.gz QOAWDJOGJKDAPZ-UHFFFAOYSA-N 0 0 174.244 1.544 10 0 ADAERN CC1(F)CN(Cc2cnsc2)C1 1232226528 764536587 /nfs/dbraw/zinc/53/65/87/764536587.db2.gz UJCCHRNUMIOCBX-UHFFFAOYSA-N 0 0 186.255 1.687 10 0 ADAERN C[C@@H]1CCN1Cc1cnsc1 1232225261 764536624 /nfs/dbraw/zinc/53/66/24/764536624.db2.gz ZAVAGBBHMGZHCG-SSDOTTSWSA-N 0 0 168.265 1.737 10 0 ADAERN C1=CCN(Cc2ccns2)C1 1232189036 764536823 /nfs/dbraw/zinc/53/68/23/764536823.db2.gz TZBYEXOZFHZAMH-UHFFFAOYSA-N 0 0 166.249 1.515 10 0 ADAERN F[C@H]1CCN(Cc2cnsc2)C1 1232226139 764536874 /nfs/dbraw/zinc/53/68/74/764536874.db2.gz NPIQXZCUKTWPLE-QMMMGPOBSA-N 0 0 186.255 1.687 10 0 ADAERN Cc1nnc(CN2CC[C@H]2C)s1 1232242015 764537379 /nfs/dbraw/zinc/53/73/79/764537379.db2.gz BWTSSNPAESDPKN-ZCFIWIBFSA-N 0 0 183.280 1.441 10 0 ADAERN CN(Cc1cnsc1)C1(C)COC1 1232230001 764537579 /nfs/dbraw/zinc/53/75/79/764537579.db2.gz BQMRIGBGVIMSCU-UHFFFAOYSA-N 0 0 198.291 1.364 10 0 ADAERN c1nscc1CN1CCO[C@H]2C[C@H]21 1232229720 764537707 /nfs/dbraw/zinc/53/77/07/764537707.db2.gz UOKUXOCANNYXGE-BDAKNGLRSA-N 0 0 196.275 1.116 10 0 ADAERN c1nscc1CN1CCC12COC2 1232226949 764537997 /nfs/dbraw/zinc/53/79/97/764537997.db2.gz HHHJBFPNMJESLG-UHFFFAOYSA-N 0 0 196.275 1.118 10 0 ADAERN c1nscc1CN1CCC1 1232224673 764538705 /nfs/dbraw/zinc/53/87/05/764538705.db2.gz OSKVRQJFMSIFRY-UHFFFAOYSA-N 0 0 154.238 1.349 10 0 ADAERN C[C@H]1CCN1Cc1cnsc1 1232225262 764538882 /nfs/dbraw/zinc/53/88/82/764538882.db2.gz ZAVAGBBHMGZHCG-ZETCQYMHSA-N 0 0 168.265 1.737 10 0 ADAERN c1cc(CN2C[C@@H]3C[C@H]2CO3)sn1 1232191985 764539082 /nfs/dbraw/zinc/53/90/82/764539082.db2.gz OKZHACFKXALDEZ-YUMQZZPRSA-N 0 0 196.275 1.116 10 0 ADAERN C[C@H]1CCN1Cc1ccns1 1232189142 764539193 /nfs/dbraw/zinc/53/91/93/764539193.db2.gz VYDUXVAZSZHGOS-ZETCQYMHSA-N 0 0 168.265 1.737 10 0 ADAERN F[C@@H]1CCN(Cc2cnsc2)C1 1232226137 764539277 /nfs/dbraw/zinc/53/92/77/764539277.db2.gz NPIQXZCUKTWPLE-MRVPVSSYSA-N 0 0 186.255 1.687 10 0 ADAERN c1cc(CN2CCCCO2)sn1 1232188423 764539313 /nfs/dbraw/zinc/53/93/13/764539313.db2.gz AMBLUFMKXHGQIA-UHFFFAOYSA-N 0 0 184.264 1.671 10 0 ADAERN CN(Cc1ccns1)C1(C)COC1 1232191711 764540378 /nfs/dbraw/zinc/54/03/78/764540378.db2.gz ACMDBRHAECDNNE-UHFFFAOYSA-N 0 0 198.291 1.364 10 0 ADAERN c1nscc1CN1CCO[C@@H]2C[C@@H]21 1232229721 764540391 /nfs/dbraw/zinc/54/03/91/764540391.db2.gz UOKUXOCANNYXGE-DTWKUNHWSA-N 0 0 196.275 1.116 10 0 ADAERN c1cc(C[NH+]2CC3CC(C3)C2)sn1 1232194113 764540565 /nfs/dbraw/zinc/54/05/65/764540565.db2.gz NUYWUCPAZBQCMD-UHFFFAOYSA-N 0 0 194.303 1.985 10 0 ADAERN c1nscc1CN1CCCO1 1232224437 764540584 /nfs/dbraw/zinc/54/05/84/764540584.db2.gz KUJAVRDQTPGYCG-UHFFFAOYSA-N 0 0 170.237 1.280 10 0 ADAERN c1nscc1CN1C[C@@H]2C[C@H](C1)O2 1232230585 764540707 /nfs/dbraw/zinc/54/07/07/764540707.db2.gz OTCVHBZMAVWAJQ-DTORHVGOSA-N 0 0 196.275 1.116 10 0 ADAERN CC1(F)CN(Cc2ccns2)C1 1232188646 764541413 /nfs/dbraw/zinc/54/14/13/764541413.db2.gz HWTIRKIKLLAMSZ-UHFFFAOYSA-N 0 0 186.255 1.687 10 0 ADAERN c1cc(CN2CC3(CCO3)C2)sn1 1232191897 764541770 /nfs/dbraw/zinc/54/17/70/764541770.db2.gz MJNQNEMHAFYYAV-UHFFFAOYSA-N 0 0 196.275 1.118 10 0 ADAERN Cc1nnc(CN2CC[C@@H]2C)s1 1232242004 764541853 /nfs/dbraw/zinc/54/18/53/764541853.db2.gz BWTSSNPAESDPKN-LURJTMIESA-N 0 0 183.280 1.441 10 0 ADAERN c1nscc1CN1C[C@@H]2C[C@H]1CO2 1232227747 764542069 /nfs/dbraw/zinc/54/20/69/764542069.db2.gz RVLIPJBKXZFTLJ-IUCAKERBSA-N 0 0 196.275 1.116 10 0 ADAERN C[C@@H]1CCN1Cc1ccns1 1232189098 764542109 /nfs/dbraw/zinc/54/21/09/764542109.db2.gz VYDUXVAZSZHGOS-SSDOTTSWSA-N 0 0 168.265 1.737 10 0 ADAERN C1=CCN(Cc2cnsc2)C1 1232225264 764542381 /nfs/dbraw/zinc/54/23/81/764542381.db2.gz ZCSBLPIIDSJQPU-UHFFFAOYSA-N 0 0 166.249 1.515 10 0 ADAERN c1cc(CN2C[C@@H]3C[C@H](C2)O3)sn1 1232191776 764542429 /nfs/dbraw/zinc/54/24/29/764542429.db2.gz FMMBBJDNKSVBES-OCAPTIKFSA-N 0 0 196.275 1.116 10 0 ADAERN c1nscc1CN1CC2(CCO2)C1 1232230581 764542679 /nfs/dbraw/zinc/54/26/79/764542679.db2.gz OLTDDGFDHZTVSO-UHFFFAOYSA-N 0 0 196.275 1.118 10 0 ADAERN C[C@@H]1CN(Cc2cnsc2)CCO1 1232226772 764542785 /nfs/dbraw/zinc/54/27/85/764542785.db2.gz XAVSTUZYOSRQIG-MRVPVSSYSA-N 0 0 198.291 1.364 10 0 ADAERN c1nscc1CN1CCCCO1 1232224659 764543124 /nfs/dbraw/zinc/54/31/24/764543124.db2.gz NTVMZZNKJZZFGE-UHFFFAOYSA-N 0 0 184.264 1.671 10 0 ADAERN FC1CN(Cc2cnsc2)C1 1232224754 764543135 /nfs/dbraw/zinc/54/31/35/764543135.db2.gz SERMWXIHFKOCMM-UHFFFAOYSA-N 0 0 172.228 1.297 10 0 ADAERN CN(C)Cc1cccc(O)c1F 1233049196 764560031 /nfs/dbraw/zinc/56/00/31/764560031.db2.gz JWTWRHDGTRXJEF-UHFFFAOYSA-N 0 0 169.199 1.593 10 0 ADAERN CCCCCCC[C@H]([NH3+])c1nnn[n-]1 103512644 1423722132 /nfs/dbraw/zinc/72/21/32/1423722132.db2.gz OPCGKKDHLBDXJP-QMMMGPOBSA-N 0 0 197.286 1.560 10 0 ADAERN CC(C)Oc1cn(C)ccc1=O 1234031220 764573042 /nfs/dbraw/zinc/57/30/42/764573042.db2.gz RKROBVBBJZOIGU-UHFFFAOYSA-N 0 0 167.208 1.173 10 0 ADAERN Cc1ncn(C)c1CN1CC[C@@H](F)C1 1235539384 764601381 /nfs/dbraw/zinc/60/13/81/764601381.db2.gz USSRZMKPIHXNPU-SECBINFHSA-N 0 0 197.257 1.272 10 0 ADAERN Cc1ncn(C)c1CN1CCCCO1 1235539955 764601978 /nfs/dbraw/zinc/60/19/78/764601978.db2.gz FCJUTYZNVQXYQR-UHFFFAOYSA-N 0 0 195.266 1.256 10 0 ADAERN Cc1ncn(C)c1CN(C)CCF 1235568140 764603319 /nfs/dbraw/zinc/60/33/19/764603319.db2.gz MAWRSMOYLBWFMA-UHFFFAOYSA-N 0 0 185.246 1.130 10 0 ADAERN Cc1ncn(C)c1CN1CC(C)(F)C1 1235536804 764603441 /nfs/dbraw/zinc/60/34/41/764603441.db2.gz FVKMFEGOBOJTFK-UHFFFAOYSA-N 0 0 197.257 1.272 10 0 ADAERN Cc1ncn(C)c1CN1CC[C@H](F)C1 1235539385 764604449 /nfs/dbraw/zinc/60/44/49/764604449.db2.gz USSRZMKPIHXNPU-VIFPVBQESA-N 0 0 197.257 1.272 10 0 ADAERN CC(C)CC[C@H](C)Nc1nnn[n-]1 95225151 1423759974 /nfs/dbraw/zinc/75/99/74/1423759974.db2.gz SJVOPFNDXDYUOD-ZETCQYMHSA-N 0 0 183.259 1.436 10 0 ADAERN OCCCCN1Cc2ncsc2C1 1236183831 764634620 /nfs/dbraw/zinc/63/46/20/764634620.db2.gz KXRDHGLOAXBFLC-UHFFFAOYSA-N 0 0 198.291 1.231 10 0 ADAERN Cc1cncnc1-c1ccc(N)nc1 1236309352 764653222 /nfs/dbraw/zinc/65/32/22/764653222.db2.gz VRGKJQFYPJDYNP-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cncnc1-c1cncc(O)c1 1236573791 764656019 /nfs/dbraw/zinc/65/60/19/764656019.db2.gz NSARARVZXNBGQF-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1nc2c(s1)CN(CCCO)C2 1236422075 764658482 /nfs/dbraw/zinc/65/84/82/764658482.db2.gz ASJMGIJNQLUDAX-UHFFFAOYSA-N 0 0 198.291 1.150 10 0 ADAERN Cc1cncc(-c2cncc(O)c2)n1 1236575312 764663759 /nfs/dbraw/zinc/66/37/59/764663759.db2.gz LZNOPHKZPKIZDR-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1ncc(-c2cncc(O)c2)cn1 1236581146 764666444 /nfs/dbraw/zinc/66/64/44/764666444.db2.gz NXDLUYRGGCTGAW-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN C[C@H]1CCN1Cc1nccnc1Cl 1236614250 764667832 /nfs/dbraw/zinc/66/78/32/764667832.db2.gz UFOVFLAHFMHCRS-ZETCQYMHSA-N 0 0 197.669 1.724 10 0 ADAERN C[C@@H]1CCN1Cc1nccnc1Cl 1236614249 764668565 /nfs/dbraw/zinc/66/85/65/764668565.db2.gz UFOVFLAHFMHCRS-SSDOTTSWSA-N 0 0 197.669 1.724 10 0 ADAERN C[C@@H]1CCCC[C@@H]1CNc1nnn[n-]1 95254869 1423825451 /nfs/dbraw/zinc/82/54/51/1423825451.db2.gz FCFLSJDCYGKHCN-HTQZYQBOSA-N 0 0 195.270 1.438 10 0 ADAERN c1nc(CN2CCC23CCCC3)n[nH]1 1237601635 764683142 /nfs/dbraw/zinc/68/31/42/764683142.db2.gz MIZIJMXDZRSKMX-UHFFFAOYSA-N 0 0 192.266 1.323 10 0 ADAERN C[C@@]1(F)CCCN(Cc2nc[nH]n2)C1 1237598111 764683481 /nfs/dbraw/zinc/68/34/81/764683481.db2.gz ANHWWZLLOXVIEX-SECBINFHSA-N 0 0 198.245 1.129 10 0 ADAERN C[C@]1(F)CCCN(Cc2nc[nH]n2)C1 1237598112 764686149 /nfs/dbraw/zinc/68/61/49/764686149.db2.gz ANHWWZLLOXVIEX-VIFPVBQESA-N 0 0 198.245 1.129 10 0 ADAERN CCn1cncc1CN1CCCO1 1237587382 764690743 /nfs/dbraw/zinc/69/07/43/764690743.db2.gz CUUQJCXWMHMMSP-UHFFFAOYSA-N 0 0 181.239 1.040 10 0 ADAERN CC1(C)CCCN1Cc1nc[nH]n1 1237601585 764690919 /nfs/dbraw/zinc/69/09/19/764690919.db2.gz MBOXLTKBUKKDPR-UHFFFAOYSA-N 0 0 180.255 1.179 10 0 ADAERN CCn1cncc1CN1CC=CC1 1237587442 764691995 /nfs/dbraw/zinc/69/19/95/764691995.db2.gz DRMWQOWGTSXCGY-UHFFFAOYSA-N 0 0 177.251 1.275 10 0 ADAERN CCn1cncc1CN1CCC1 1237592218 764693675 /nfs/dbraw/zinc/69/36/75/764693675.db2.gz VUISUUVQLGOAQO-UHFFFAOYSA-N 0 0 165.240 1.109 10 0 ADAERN CN(C)Cc1cc2ccccn2n1 1237440280 764693736 /nfs/dbraw/zinc/69/37/36/764693736.db2.gz DINNZWWDBBXUDZ-UHFFFAOYSA-N 0 0 175.235 1.396 10 0 ADAERN Cc1cnc(CN2CC[C@@H]2C)nc1 1237799349 764710677 /nfs/dbraw/zinc/71/06/77/764710677.db2.gz AFMIYNBTGBLICY-VIFPVBQESA-N 0 0 177.251 1.379 10 0 ADAERN Cc1sccc1CN(C)C1COC1 1237970085 764710892 /nfs/dbraw/zinc/71/08/92/764710892.db2.gz GDYYQUKWCWCAPT-UHFFFAOYSA-N 0 0 197.303 1.887 10 0 ADAERN Cc1cnc(CN2CC[C@H]2C)nc1 1237799341 764715668 /nfs/dbraw/zinc/71/56/68/764715668.db2.gz AFMIYNBTGBLICY-SECBINFHSA-N 0 0 177.251 1.379 10 0 ADAERN Cc1ncncc1CN1CC=CC1 1238164952 764722381 /nfs/dbraw/zinc/72/23/81/764722381.db2.gz PQLKUDUUIVMAID-UHFFFAOYSA-N 0 0 175.235 1.157 10 0 ADAERN Cc1ncncc1CN(C)CCF 1238172904 764722554 /nfs/dbraw/zinc/72/25/54/764722554.db2.gz KEDYFRQMJHFGAJ-UHFFFAOYSA-N 0 0 183.230 1.186 10 0 ADAERN Nc1cccc(NC(=O)OCCF)c1 1239312218 764763246 /nfs/dbraw/zinc/76/32/46/764763246.db2.gz VCMHDFWUTPFJGM-UHFFFAOYSA-N 0 0 198.197 1.787 10 0 ADAERN CN(CCO)C(=O)OCC(C)(C)C 1239337869 764768877 /nfs/dbraw/zinc/76/88/77/764768877.db2.gz IJMLYQQPSCOCJJ-UHFFFAOYSA-N 0 0 189.255 1.093 10 0 ADAERN NC(=O)c1ncc(-c2ccccc2)cn1 1239467949 764788661 /nfs/dbraw/zinc/78/86/61/764788661.db2.gz VOPPNEASRDDWPX-UHFFFAOYSA-N 0 0 199.213 1.243 10 0 ADAERN CCC(CC)C[C@H](C[NH3+])c1nnn[n-]1 34216763 1423926010 /nfs/dbraw/zinc/92/60/10/1423926010.db2.gz ILESGMIMNCRTES-MRVPVSSYSA-N 0 0 197.286 1.068 10 0 ADAERN [NH3+]Cc1cccc(-c2ccncc2)n1 1239609201 764809919 /nfs/dbraw/zinc/80/99/19/764809919.db2.gz KIOMMRYMJXJVDF-UHFFFAOYSA-N 0 0 185.230 1.602 10 0 ADAERN c1nc(-c2ccoc2)c2nc[nH]c2n1 1239686420 764815966 /nfs/dbraw/zinc/81/59/66/764815966.db2.gz PXAMXALLOIXRJB-UHFFFAOYSA-N 0 0 186.174 1.613 10 0 ADAERN C1=C(c2ncnc3[nH]cnc23)CCC1 1239783585 764824559 /nfs/dbraw/zinc/82/45/59/764824559.db2.gz KWNJNCCZYAKXFV-UHFFFAOYSA-N 0 0 186.218 1.920 10 0 ADAERN Cc1cnc(C)c(-c2cn[nH]c2)n1 1240239250 764837555 /nfs/dbraw/zinc/83/75/55/764837555.db2.gz CCWQKAVITOQTQY-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1cnc(-c2cn[nH]c2)cn1 1240239679 764837787 /nfs/dbraw/zinc/83/77/87/764837787.db2.gz OYEYIQRWSDTZIB-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Cc1ccnc(-c2cn[nH]c2)c1F 1240239001 764838494 /nfs/dbraw/zinc/83/84/94/764838494.db2.gz FMLGPULYFOXIBQ-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN CCc1cnc(-c2cn[nH]c2)nc1 1240239363 764839137 /nfs/dbraw/zinc/83/91/37/764839137.db2.gz HHHHKKFVVNTRPY-UHFFFAOYSA-N 0 0 174.207 1.429 10 0 ADAERN COc1cccnc1-c1cn[nH]c1 1240239200 764839257 /nfs/dbraw/zinc/83/92/57/764839257.db2.gz AVZQNGPWDBZACA-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN Fc1ccnc(-c2cn[nH]c2)c1 1240239620 764839991 /nfs/dbraw/zinc/83/99/91/764839991.db2.gz MXVAANJUIDPDMS-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Cc1ccnnc1-c1cn[nH]c1 1240239847 764841048 /nfs/dbraw/zinc/84/10/48/764841048.db2.gz ZWLOKIOXWOPUGE-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Cc1cnc(-c2cn[nH]c2)c(F)c1 1240239793 764841492 /nfs/dbraw/zinc/84/14/92/764841492.db2.gz XCRHUFBWADKGEF-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN Cc1nccnc1-c1cn[nH]c1 1240239774 764842090 /nfs/dbraw/zinc/84/20/90/764842090.db2.gz VWVQASJFTSXXNR-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Cc1cc(F)cnc1-c1cn[nH]c1 1240239843 764842196 /nfs/dbraw/zinc/84/21/96/764842196.db2.gz ZRHAOBUSUAFSAJ-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN Cc1ncnc(-c2cn[nH]c2)c1C 1240239849 764842208 /nfs/dbraw/zinc/84/22/08/764842208.db2.gz ZYWAWAMQKLSURL-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1nnc(-c2cn[nH]c2)c(C)c1C 1240240366 764842826 /nfs/dbraw/zinc/84/28/26/764842826.db2.gz PGXDJZYAZZKWBB-UHFFFAOYSA-N 0 0 188.234 1.792 10 0 ADAERN Cc1ncccc1-c1cn[nH]c1 1240241635 764842866 /nfs/dbraw/zinc/84/28/66/764842866.db2.gz BZBWRNROLSWVIO-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN COc1cncc(-c2cn[nH]c2)c1 1240242121 764844113 /nfs/dbraw/zinc/84/41/13/764844113.db2.gz HDLWSFZDHZLSGC-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN COc1ccc(-c2cn[nH]c2)nc1F 1240241894 764844656 /nfs/dbraw/zinc/84/46/56/764844656.db2.gz GTYRAZSCMSTGQJ-UHFFFAOYSA-N 0 0 193.181 1.619 10 0 ADAERN COc1ncc(-c2cn[nH]c2)cc1C 1240241870 764844708 /nfs/dbraw/zinc/84/47/08/764844708.db2.gz DRXAVHJJJJNEGF-UHFFFAOYSA-N 0 0 189.218 1.789 10 0 ADAERN Cc1ncncc1-c1cn[nH]c1 1240241856 764845020 /nfs/dbraw/zinc/84/50/20/764845020.db2.gz ZYTCFQDTQMLCEG-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN CN(C)c1ccc(-c2cn[nH]c2)cn1 1240242332 764845361 /nfs/dbraw/zinc/84/53/61/764845361.db2.gz NMBJRIHFJGNJHU-UHFFFAOYSA-N 0 0 188.234 1.538 10 0 ADAERN Cn1cnc2cc(-c3cn[nH]c3)ccc21 1240242679 764846287 /nfs/dbraw/zinc/84/62/87/764846287.db2.gz ULLGXGDHESEKTJ-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CN(C)c1ncccc1-c1cn[nH]c1 1240242040 764846701 /nfs/dbraw/zinc/84/67/01/764846701.db2.gz YUTADLGGRKHCFX-UHFFFAOYSA-N 0 0 188.234 1.538 10 0 ADAERN COc1cc(-c2cn[nH]c2)cc(C)n1 1240243683 764846826 /nfs/dbraw/zinc/84/68/26/764846826.db2.gz MLUWYWNPHYLQKC-UHFFFAOYSA-N 0 0 189.218 1.789 10 0 ADAERN Cc1n[nH]cc1-c1cncc(N)c1 1240518848 764857690 /nfs/dbraw/zinc/85/76/90/764857690.db2.gz RTPLQOMYUKITPR-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1n[nH]cc1-c1cccc(F)n1 1240517257 764857865 /nfs/dbraw/zinc/85/78/65/764857865.db2.gz NRURWVGTBWQACO-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN Cc1n[nH]cc1-c1cccc(N)n1 1240516350 764857885 /nfs/dbraw/zinc/85/78/85/764857885.db2.gz PTHSULBZSQFBMD-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1n[nH]cc1-c1ccc(=S)[nH]n1 1240519355 764858194 /nfs/dbraw/zinc/85/81/94/764858194.db2.gz PEPDTBFDXDSGIJ-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN Cc1n[nH]cc1-c1cc(F)ccn1 1240516353 764858776 /nfs/dbraw/zinc/85/87/76/764858776.db2.gz COYWEUPPRKVCIJ-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN Cc1n[nH]cc1-c1cc(N)ccn1 1240517399 764859328 /nfs/dbraw/zinc/85/93/28/764859328.db2.gz QWPKTFAWIPLCIA-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1n[nH]cc1-c1ncccc1N 1240516822 764859592 /nfs/dbraw/zinc/85/95/92/764859592.db2.gz WJMWYCVJLZKFHL-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1n[nH]cc1-c1ccc(N)cn1 1240517135 764859923 /nfs/dbraw/zinc/85/99/23/764859923.db2.gz JYUKTGODJHWDHM-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1n[nH]cc1-c1cnc(F)nc1 1240519115 764859985 /nfs/dbraw/zinc/85/99/85/764859985.db2.gz YAWBCSNBQFVIGK-UHFFFAOYSA-N 0 0 178.170 1.314 10 0 ADAERN CCCC[C@@H](CC)[NH2+]Cc1nnn[n-]1 68987360 1423979227 /nfs/dbraw/zinc/97/92/27/1423979227.db2.gz ZPKDFQYWNOKREZ-MRVPVSSYSA-N 0 0 197.286 1.258 10 0 ADAERN CC(C)=Cc1ncnc2[nH]cnc12 1240631978 764860586 /nfs/dbraw/zinc/86/05/86/764860586.db2.gz CQNBMGDKVFHBNH-UHFFFAOYSA-N 0 0 174.207 1.776 10 0 ADAERN Cc1n[nH]cc1-c1ccnc(N)c1 1240521410 764862679 /nfs/dbraw/zinc/86/26/79/764862679.db2.gz OPJIZRIDRGIXQM-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN C=Cc1ncc(CC)cn1 1240826215 764880145 /nfs/dbraw/zinc/88/01/45/764880145.db2.gz CRONPMSSBDJLPQ-UHFFFAOYSA-N 0 0 134.182 1.682 10 0 ADAERN C=Cc1ncc(C(=O)OCC)cn1 1240826431 764884462 /nfs/dbraw/zinc/88/44/62/764884462.db2.gz GVKZLQORMNRVIC-UHFFFAOYSA-N 0 0 178.191 1.296 10 0 ADAERN C=Cc1ccc(OC)c(OC)n1 1240828664 764886149 /nfs/dbraw/zinc/88/61/49/764886149.db2.gz YMQBNNODRVESBI-UHFFFAOYSA-N 0 0 165.192 1.742 10 0 ADAERN C=Cc1cccn(C)c1=O 1240830393 764893889 /nfs/dbraw/zinc/89/38/89/764893889.db2.gz YFACAXOCMWCDQO-UHFFFAOYSA-N 0 0 135.166 1.028 10 0 ADAERN C=Cc1c(OC)cncc1OC 1240830357 764894954 /nfs/dbraw/zinc/89/49/54/764894954.db2.gz XBIZNHOCLSHZBP-UHFFFAOYSA-N 0 0 165.192 1.742 10 0 ADAERN C=Cc1cc(OC)ncc1OC 1240831002 764894965 /nfs/dbraw/zinc/89/49/65/764894965.db2.gz NPHPYTSEEDDUMP-UHFFFAOYSA-N 0 0 165.192 1.742 10 0 ADAERN C=Cc1ccc(OC)c(C(=O)OC)n1 1240831956 764896039 /nfs/dbraw/zinc/89/60/39/764896039.db2.gz QZDIPAMXIOZCBC-UHFFFAOYSA-N 0 0 193.202 1.520 10 0 ADAERN C[C@H](c1nnn[n-]1)[N@H+](C)C1CCCC1 95137308 1424019320 /nfs/dbraw/zinc/01/93/20/1424019320.db2.gz QQCHZLPRRLRNLJ-SSDOTTSWSA-N 0 0 195.270 1.135 10 0 ADAERN CC(C)CC[C@@H](C)[NH2+]Cc1nnn[n-]1 44928028 1424037078 /nfs/dbraw/zinc/03/70/78/1424037078.db2.gz AIKRWDALHYKHCZ-MRVPVSSYSA-N 0 0 197.286 1.114 10 0 ADAERN O=c1[nH]cccc1-c1ccc(F)cn1 1241100209 764948042 /nfs/dbraw/zinc/94/80/42/764948042.db2.gz AKOLLKAZSDQQIE-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Nc1ccccc1-c1ccnnc1 1241072796 764948920 /nfs/dbraw/zinc/94/89/20/764948920.db2.gz ZYAWHTZFUQVPEL-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN Cc1nccnc1-c1ccc[nH]c1=O 1241100271 764953879 /nfs/dbraw/zinc/95/38/79/764953879.db2.gz BGIFBKUYUKYFDT-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1cc(-c2ccc[nH]c2=O)ncn1 1241100312 764954418 /nfs/dbraw/zinc/95/44/18/764954418.db2.gz CCKBEAGDMSEFIF-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1cncc(-c2ccnc(N)c2)n1 1241156393 764954897 /nfs/dbraw/zinc/95/48/97/764954897.db2.gz LCAPSUBDWZYZRS-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cncnc1-c1ccnc(N)c1 1241152952 764954919 /nfs/dbraw/zinc/95/49/19/764954919.db2.gz ZKMDQDDSZJKGER-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1ncccc1-c1ccc[nH]c1=O 1241112736 764955884 /nfs/dbraw/zinc/95/58/84/764955884.db2.gz SIVBACYFJRLSBE-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Cn1cnc(-c2ccc[nH]c2=O)c1 1241113569 764955972 /nfs/dbraw/zinc/95/59/72/764955972.db2.gz LTXXHBXMYUTYAX-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1ccc(-c2ccc[nH]c2=O)n1 1241113161 764956318 /nfs/dbraw/zinc/95/63/18/764956318.db2.gz FFFNTQPFMGHDBN-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Nc1ccc(-c2ccc[nH]c2=O)cn1 1241112709 764956380 /nfs/dbraw/zinc/95/63/80/764956380.db2.gz QKDVXKKXXWQVNB-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Cc1nccc(-c2ccc[nH]c2=O)n1 1241101767 764957131 /nfs/dbraw/zinc/95/71/31/764957131.db2.gz SKNNWJNRELLXJU-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN O=c1[nH]cccc1-c1cncc(F)c1 1241112763 764957213 /nfs/dbraw/zinc/95/72/13/764957213.db2.gz URHXGWCWEBAZRU-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Cc1cncc(-c2ccc[nH]c2=O)n1 1241100717 764958151 /nfs/dbraw/zinc/95/81/51/764958151.db2.gz JUJZZWXVQQKLDC-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN O=c1[nH]cccc1-c1ccncc1F 1241114234 764958391 /nfs/dbraw/zinc/95/83/91/764958391.db2.gz XIRAZRVXNRFADR-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Cn1cncc1-c1ccc[nH]c1=O 1241114355 764959072 /nfs/dbraw/zinc/95/90/72/764959072.db2.gz ZMIJMEDMNWLHBP-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Nc1cc[nH+]cc1-c1ccc[nH]c1=O 1241112788 764959131 /nfs/dbraw/zinc/95/91/31/764959131.db2.gz VRCXAHLTNLLOLS-UHFFFAOYSA-N 0 0 187.202 1.262 10 0 ADAERN Cc1cncnc1-c1ccc[nH]c1=O 1241101718 764961170 /nfs/dbraw/zinc/96/11/70/764961170.db2.gz RNBWOTGWBRWGEZ-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1cc(-c2ccc[nH]c2=O)n(C)n1 1241113846 764962753 /nfs/dbraw/zinc/96/27/53/764962753.db2.gz RSVDOXWZBIPSAR-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN C[C@H]1CCCC[C@H]1CNc1nnn[n-]1 95254872 1424078435 /nfs/dbraw/zinc/07/84/35/1424078435.db2.gz FCFLSJDCYGKHCN-YUMQZZPRSA-N 0 0 195.270 1.438 10 0 ADAERN Cc1nc(N)ncc1-c1nccs1 1241645214 764981804 /nfs/dbraw/zinc/98/18/04/764981804.db2.gz HTMPHPFHUQDQLV-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCC(CC)C[C@@H](C[NH3+])c1nnn[n-]1 34216762 1424091807 /nfs/dbraw/zinc/09/18/07/1424091807.db2.gz ILESGMIMNCRTES-QMMMGPOBSA-N 0 0 197.286 1.068 10 0 ADAERN [NH3+]Cc1cccc(-c2cscn2)n1 1241887299 764991096 /nfs/dbraw/zinc/99/10/96/764991096.db2.gz FWAYCDOROHGSHY-UHFFFAOYSA-N 0 0 191.259 1.664 10 0 ADAERN Cc1cnc(-c2ncc[nH]2)cc1N 1242012974 765000265 /nfs/dbraw/zinc/00/02/65/765000265.db2.gz JKEWAMKDXRLXHU-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1cc(F)cnc1-c1ncc[nH]1 1242013803 765000665 /nfs/dbraw/zinc/00/06/65/765000665.db2.gz YCWFZMIINJARRM-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN Cc1cnc(C)c(-c2ncc[nH]2)n1 1242013425 765002150 /nfs/dbraw/zinc/00/21/50/765002150.db2.gz HTXQNMZKBWLWLG-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1cncnc1-c1ncc[nH]1 1242013239 765002835 /nfs/dbraw/zinc/00/28/35/765002835.db2.gz CGLMSTWGLFWPNT-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Nc1cccc(-c2ccnnc2)n1 1242043991 765008513 /nfs/dbraw/zinc/00/85/13/765008513.db2.gz JDSLIQNFEACABK-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN S=c1ccc(-c2ccnnc2)n[nH]1 1242047460 765009386 /nfs/dbraw/zinc/00/93/86/765009386.db2.gz OORYICUUTWVAKX-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN COc1ccc(-c2ncc[nH]2)nc1F 1242018574 765009592 /nfs/dbraw/zinc/00/95/92/765009592.db2.gz QYQHAQGBFDFNPU-UHFFFAOYSA-N 0 0 193.181 1.619 10 0 ADAERN Fc1cccc(-c2ccnnc2)n1 1242044348 765010196 /nfs/dbraw/zinc/01/01/96/765010196.db2.gz QZUBZBHANHBMSY-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Fc1ccnc(-c2ccnnc2)c1 1242044518 765010399 /nfs/dbraw/zinc/01/03/99/765010399.db2.gz VHIYZYBTTYWAEQ-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Fc1ccc(-c2ccnnc2)cn1 1242055981 765012093 /nfs/dbraw/zinc/01/20/93/765012093.db2.gz PZFFSNOAYVOHBN-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Cc1ncc(-c2ccc(=O)[nH]c2)cn1 1242063384 765012829 /nfs/dbraw/zinc/01/28/29/765012829.db2.gz MPLWNTXSVXAHSS-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Nc1ncccc1-c1ccnnc1 1242052281 765012995 /nfs/dbraw/zinc/01/29/95/765012995.db2.gz WRWVONUGDIRAND-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN S=c1ccc(-c2ccnnc2)c[nH]1 1242055418 765013501 /nfs/dbraw/zinc/01/35/01/765013501.db2.gz DQFQRGAIEOSLTO-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN Cc1cncnc1-c1ccc(=O)[nH]c1 1242059580 765013737 /nfs/dbraw/zinc/01/37/37/765013737.db2.gz NMJHISGZAOUYGN-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN CC[C@H](CC1CC1)Nc1nnn[n-]1 95262072 1424112952 /nfs/dbraw/zinc/11/29/52/1424112952.db2.gz BESSCYDATKDLRQ-SSDOTTSWSA-N 0 0 181.243 1.190 10 0 ADAERN Fc1ncc(-c2ccnnc2)cn1 1242051307 765014521 /nfs/dbraw/zinc/01/45/21/765014521.db2.gz DHKGUQXUNQMERS-UHFFFAOYSA-N 0 0 176.154 1.073 10 0 ADAERN C[C@H](Nc1nnn[n-]1)c1ccccc1 95248429 1424129241 /nfs/dbraw/zinc/12/92/41/1424129241.db2.gz WGSLOJRNYTULGG-ZETCQYMHSA-N 0 0 189.222 1.373 10 0 ADAERN Cc1cncc(-c2cncc(N)c2)n1 1242498109 765032163 /nfs/dbraw/zinc/03/21/63/765032163.db2.gz FBHIXHIRSGWLDT-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cncnc1-c1cncc(N)c1 1242498071 765034547 /nfs/dbraw/zinc/03/45/47/765034547.db2.gz CETLMXRPVRJMFT-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCC[C@H](C)[NH2+]C[C@@H](C)c1nnn[n-]1 95288291 1424134522 /nfs/dbraw/zinc/13/45/22/1424134522.db2.gz KMTKDLMUAXVMQO-SFYZADRCSA-N 0 0 197.286 1.081 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@@H]([NH3+])c1nnn[n-]1 307032271 1424147037 /nfs/dbraw/zinc/14/70/37/1424147037.db2.gz PXSQBEFTLINCNI-BWZBUEFSSA-N 0 0 195.270 1.026 10 0 ADAERN CCC[C@H](C)[NH2+]C[C@H](C)c1nnn[n-]1 95288293 1424147500 /nfs/dbraw/zinc/14/75/00/1424147500.db2.gz KMTKDLMUAXVMQO-YUMQZZPRSA-N 0 0 197.286 1.081 10 0 ADAERN Cc1cncnc1-c1cccnc1N 1243469365 765080795 /nfs/dbraw/zinc/08/07/95/765080795.db2.gz JLBDAFLFBJIYKC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cncc(-c2cccnc2N)n1 1243470361 765083867 /nfs/dbraw/zinc/08/38/67/765083867.db2.gz GCVLNMPQAZDLPA-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cncnc1-c1cccc(=O)[nH]1 1243732227 765085746 /nfs/dbraw/zinc/08/57/46/765085746.db2.gz KVPRPUXQWWWOJN-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN O=c1cccc(-c2ccnnc2)[nH]1 1243737497 765085794 /nfs/dbraw/zinc/08/57/94/765085794.db2.gz IBIWPZRMDNURAN-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Cc1ncc(-c2cccc(=O)[nH]2)cn1 1243736709 765086206 /nfs/dbraw/zinc/08/62/06/765086206.db2.gz FYEJABBDCCSBMP-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1cncc(-c2cccc(=O)[nH]2)n1 1243735563 765086474 /nfs/dbraw/zinc/08/64/74/765086474.db2.gz YWEFQPWHQNJPOL-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN CC(C)(C)CC[C@@H](C[NH3+])c1nnn[n-]1 38812129 1424186882 /nfs/dbraw/zinc/18/68/82/1424186882.db2.gz WWNKKAZFBUOMCH-ZETCQYMHSA-N 0 0 197.286 1.068 10 0 ADAERN CCCNC(=S)NCc1ncco1 1244834141 765099168 /nfs/dbraw/zinc/09/91/68/765099168.db2.gz CYENRPBREOOSNQ-UHFFFAOYSA-N 0 0 199.279 1.049 10 0 ADAERN CCCNC(=S)N[C@@H]1CC1(F)F 1244897700 765099898 /nfs/dbraw/zinc/09/98/98/765099898.db2.gz BWKQNCQKVAPPPG-RXMQYKEDSA-N 0 0 194.250 1.268 10 0 ADAERN CCCNC(=S)N[C@H]1CC1(F)F 1244897701 765101417 /nfs/dbraw/zinc/10/14/17/765101417.db2.gz BWKQNCQKVAPPPG-YFKPBYRVSA-N 0 0 194.250 1.268 10 0 ADAERN Cc1cnc(-c2cc[nH]n2)cc1N 1245309344 765107304 /nfs/dbraw/zinc/10/73/04/765107304.db2.gz FNXCGSWHFHUWAP-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CC(C)CNC(=S)N[C@@H]1C[C@H]1F 1245261134 765110898 /nfs/dbraw/zinc/11/08/98/765110898.db2.gz FAYFZLPSIXNHHI-RNFRBKRXSA-N 0 0 190.287 1.217 10 0 ADAERN Cc1cnc(-c2cc[nH]n2)c(C)n1 1245312567 765114944 /nfs/dbraw/zinc/11/49/44/765114944.db2.gz SVCAKPGWDRTKIT-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1cnc(C)c(-c2cc[nH]n2)n1 1245312574 765115348 /nfs/dbraw/zinc/11/53/48/765115348.db2.gz TULJSJXDJPJMOE-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN COc1ccc(-c2cc[nH]n2)nc1F 1245313250 765116899 /nfs/dbraw/zinc/11/68/99/765116899.db2.gz QFMOBQNXXQIZJN-UHFFFAOYSA-N 0 0 193.181 1.619 10 0 ADAERN Nc1cncc(-c2cc[nH]n2)c1 1245314315 765118999 /nfs/dbraw/zinc/11/89/99/765118999.db2.gz PAKSBMWIIQLVDY-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Cc1cnnc(-n2ccnc2)c1C 1245534455 765123360 /nfs/dbraw/zinc/12/33/60/765123360.db2.gz KDTKHRGSPNWYBC-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CCCNc1ncncc1C 1245534192 765124115 /nfs/dbraw/zinc/12/41/15/765124115.db2.gz WYXREOFQPSIQMU-UHFFFAOYSA-N 0 0 151.213 1.607 10 0 ADAERN CCOc1ncccc1OC 1245535232 765127755 /nfs/dbraw/zinc/12/77/55/765127755.db2.gz KHFAXVZEZQOVLZ-UHFFFAOYSA-N 0 0 153.181 1.489 10 0 ADAERN Clc1cccc(Nc2nnn[n-]2)c1 95221103 1424247212 /nfs/dbraw/zinc/24/72/12/1424247212.db2.gz MEDXKRSHLDAUGM-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN C[C@@H](c1nnn[n-]1)[N@H+](C)C1CCCC1 95137305 1424269293 /nfs/dbraw/zinc/26/92/93/1424269293.db2.gz QQCHZLPRRLRNLJ-ZETCQYMHSA-N 0 0 195.270 1.135 10 0 ADAERN CCCCC[C@H](C)[NH2+]Cc1nnn[n-]1 44928096 1424306853 /nfs/dbraw/zinc/30/68/53/1424306853.db2.gz GCAIWKUDMZFOOT-QMMMGPOBSA-N 0 0 197.286 1.258 10 0 ADAERN CC[C@@H](C)C[N@H+](C)[C@@H](C)c1nnn[n-]1 95274686 1424338488 /nfs/dbraw/zinc/33/84/88/1424338488.db2.gz JMWPOHFDBGIPIR-SFYZADRCSA-N 0 0 197.286 1.239 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@H]([NH3+])c1nnn[n-]1 307032272 1424344140 /nfs/dbraw/zinc/34/41/40/1424344140.db2.gz PXSQBEFTLINCNI-CSMHCCOUSA-N 0 0 195.270 1.026 10 0 ADAERN Cc1cc(C)nc(CN2CC[C@H]2C)n1 1248939691 765351085 /nfs/dbraw/zinc/35/10/85/765351085.db2.gz JSCZGYBAHQAMBK-SNVBAGLBSA-N 0 0 191.278 1.688 10 0 ADAERN Cc1cc(C)nc(CN2CC[C@@H]2C)n1 1248939689 765353786 /nfs/dbraw/zinc/35/37/86/765353786.db2.gz JSCZGYBAHQAMBK-JTQLQIEISA-N 0 0 191.278 1.688 10 0 ADAERN CCC[C@@H]([NH2+]C(C)C)c1nnn[n-]1 84448119 1424411851 /nfs/dbraw/zinc/41/18/51/1424411851.db2.gz IRVIOWQIJVTKDZ-SSDOTTSWSA-N 0 0 183.259 1.039 10 0 ADAERN CC(C)(C)C(=O)Cc1ccnnc1 1249919545 765371187 /nfs/dbraw/zinc/37/11/87/765371187.db2.gz SMYOVDCDEHUJDF-UHFFFAOYSA-N 0 0 178.235 1.634 10 0 ADAERN Cc1ncc(CC(=O)C(C)(C)C)cn1 1249919803 765371741 /nfs/dbraw/zinc/37/17/41/765371741.db2.gz YSFDTSOCYYOZAS-UHFFFAOYSA-N 0 0 192.262 1.943 10 0 ADAERN CCC(=O)Cc1cnc(C)nc1 1249921418 765372714 /nfs/dbraw/zinc/37/27/14/765372714.db2.gz KGYJPOCWDXXXCJ-UHFFFAOYSA-N 0 0 164.208 1.307 10 0 ADAERN COCCc1ccnc(C(C)=O)c1 1249938477 765385700 /nfs/dbraw/zinc/38/57/00/765385700.db2.gz YOUXEZZLZAKSLX-UHFFFAOYSA-N 0 0 179.219 1.473 10 0 ADAERN COCCc1cc(F)ccc1O 1249938631 765386612 /nfs/dbraw/zinc/38/66/12/765386612.db2.gz IBOYSIKPIOBTFD-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN COCCc1cc(F)ccc1N 1249938552 765387064 /nfs/dbraw/zinc/38/70/64/765387064.db2.gz ZNODZFBPZUOYIG-UHFFFAOYSA-N 0 0 169.199 1.597 10 0 ADAERN COCCc1cc(O)ccc1C 1249938291 765387469 /nfs/dbraw/zinc/38/74/69/765387469.db2.gz UNUBERDZMXPXIN-UHFFFAOYSA-N 0 0 166.220 1.890 10 0 ADAERN COCCc1cc(F)ccc1CO 1249938735 765387505 /nfs/dbraw/zinc/38/75/05/765387505.db2.gz JPYDGOYIIJFOTR-UHFFFAOYSA-N 0 0 184.210 1.507 10 0 ADAERN COCCc1ccc(O)cc1F 1249938337 765387634 /nfs/dbraw/zinc/38/76/34/765387634.db2.gz AGIYUWRQJXNIBN-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN COCCc1cccc(CO)c1C 1249938293 765387796 /nfs/dbraw/zinc/38/77/96/765387796.db2.gz UPTLJPWOHYEJBU-UHFFFAOYSA-N 0 0 180.247 1.676 10 0 ADAERN COCCc1cccc(O)c1F 1249938373 765388695 /nfs/dbraw/zinc/38/86/95/765388695.db2.gz XRAAUFSSYZNMSK-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN COCCc1ccc(CO)c(F)c1 1249938274 765388704 /nfs/dbraw/zinc/38/87/04/765388704.db2.gz TVKJIQAUFJHZFL-UHFFFAOYSA-N 0 0 184.210 1.507 10 0 ADAERN COCCc1cc(O)ccc1F 1249938203 765388713 /nfs/dbraw/zinc/38/87/13/765388713.db2.gz OOUVSESCIKRBDN-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN COCCc1cccc(F)c1O 1249938437 765388752 /nfs/dbraw/zinc/38/87/52/765388752.db2.gz DMFDIWDMWRMFMB-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN COCCc1cc(N)ccc1F 1249938007 765388766 /nfs/dbraw/zinc/38/87/66/765388766.db2.gz HUOFOVDZWVMOIU-UHFFFAOYSA-N 0 0 169.199 1.597 10 0 ADAERN COCCc1ccc(C(C)=O)nc1 1249938706 765388814 /nfs/dbraw/zinc/38/88/14/765388814.db2.gz JIYCPTKCVMRURR-UHFFFAOYSA-N 0 0 179.219 1.473 10 0 ADAERN COCCc1ccc(N)cc1F 1249938618 765389026 /nfs/dbraw/zinc/38/90/26/765389026.db2.gz HNSZWDYVBCGYSN-UHFFFAOYSA-N 0 0 169.199 1.597 10 0 ADAERN COCCc1ccc(O)c(F)c1F 1249938225 765389217 /nfs/dbraw/zinc/38/92/17/765389217.db2.gz QGJNMEDTUPJCNM-UHFFFAOYSA-N 0 0 188.173 1.859 10 0 ADAERN COCCC1=CCC2(CC1)OCCO2 1249938627 765389325 /nfs/dbraw/zinc/38/93/25/765389325.db2.gz HUWSZIUPOLZTQG-UHFFFAOYSA-N 0 0 198.262 1.876 10 0 ADAERN COCCc1cc(O)cc(F)c1 1249939294 765390148 /nfs/dbraw/zinc/39/01/48/765390148.db2.gz WKPQVELTRSVYTK-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN COCCc1ccc(O)c(F)c1 1249939090 765390199 /nfs/dbraw/zinc/39/01/99/765390199.db2.gz YSGQOYNOGKJHKK-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN COCCc1cc(O)ccc1OC 1249939260 765390880 /nfs/dbraw/zinc/39/08/80/765390880.db2.gz VTZNFNJJWSFAEF-UHFFFAOYSA-N 0 0 182.219 1.590 10 0 ADAERN COCCc1cc(C)cc(O)c1 1249939904 765391653 /nfs/dbraw/zinc/39/16/53/765391653.db2.gz GXACNYSUOHIDJK-UHFFFAOYSA-N 0 0 166.220 1.890 10 0 ADAERN COCCc1ccc(N)c(OC)c1 1249939767 765392300 /nfs/dbraw/zinc/39/23/00/765392300.db2.gz CZLLLECSXYIBPQ-UHFFFAOYSA-N 0 0 181.235 1.466 10 0 ADAERN COCCc1ccc(F)cc1O 1249938793 765393137 /nfs/dbraw/zinc/39/31/37/765393137.db2.gz LZYBOWMEQDNXEM-UHFFFAOYSA-N 0 0 170.183 1.720 10 0 ADAERN CC1([C@H]([NH3+])c2nnn[n-]2)CCCCC1 307473509 1424449321 /nfs/dbraw/zinc/44/93/21/1424449321.db2.gz HRFGSGYUSLNCHH-SSDOTTSWSA-N 0 0 195.270 1.170 10 0 ADAERN CC(C)=CCc1ccnnc1 1249950988 765408418 /nfs/dbraw/zinc/40/84/18/765408418.db2.gz CJDQWTHOASWUSM-UHFFFAOYSA-N 0 0 148.209 1.985 10 0 ADAERN CCOC(=O)CCc1ccc[nH]c1=O 1249962519 765420026 /nfs/dbraw/zinc/42/00/26/765420026.db2.gz VBXNUWZLHOPMQX-UHFFFAOYSA-N 0 0 195.218 1.283 10 0 ADAERN COC(=O)CCc1cc(C)cnc1F 1249957176 765423263 /nfs/dbraw/zinc/42/32/63/765423263.db2.gz FSYNFEFMHWKFAR-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CC(C)CCc1cnc(N)nc1 1249965450 765424588 /nfs/dbraw/zinc/42/45/88/765424588.db2.gz SSNGZOWJJBKGGQ-UHFFFAOYSA-N 0 0 165.240 1.647 10 0 ADAERN CCCCc1cnc(N)nc1C 1249978136 765432305 /nfs/dbraw/zinc/43/23/05/765432305.db2.gz FXWMXARDZYBECC-UHFFFAOYSA-N 0 0 165.240 1.710 10 0 ADAERN CC(C)(C)CC[C@H](C[NH3+])c1nnn[n-]1 38812130 1424481414 /nfs/dbraw/zinc/48/14/14/1424481414.db2.gz WWNKKAZFBUOMCH-SSDOTTSWSA-N 0 0 197.286 1.068 10 0 ADAERN Cc1n[nH]cc1C1CC1 1250032170 765443407 /nfs/dbraw/zinc/44/34/07/765443407.db2.gz BUPZISVIAAEERZ-UHFFFAOYSA-N 0 0 122.171 1.596 10 0 ADAERN OCc1cncc(C2CC2)c1 1250032723 765443764 /nfs/dbraw/zinc/44/37/64/765443764.db2.gz FZCCQIGCNCHULW-UHFFFAOYSA-N 0 0 149.193 1.451 10 0 ADAERN Cc1nc(N)ncc1C1CC1 1250032541 765444251 /nfs/dbraw/zinc/44/42/51/765444251.db2.gz RLRSFETZGGHLRP-UHFFFAOYSA-N 0 0 149.197 1.245 10 0 ADAERN O=c1[nH]cccc1CC1CC1 1250036775 765452117 /nfs/dbraw/zinc/45/21/17/765452117.db2.gz CVECMJVJVKNUHT-UHFFFAOYSA-N 0 0 149.193 1.740 10 0 ADAERN COC(=O)c1ccc(C2CC2)cc1N 1250036644 765453330 /nfs/dbraw/zinc/45/33/30/765453330.db2.gz ZRHWLIHAMRVREG-UHFFFAOYSA-N 0 0 191.230 1.933 10 0 ADAERN Cc1nc(N)ncc1CC1CC1 1250037547 765454685 /nfs/dbraw/zinc/45/46/85/765454685.db2.gz YWXFTXGQGQPWFX-UHFFFAOYSA-N 0 0 163.224 1.320 10 0 ADAERN C[C@H]1[C@H](C)CCC[C@H]1Nc1nnn[n-]1 693740133 1424517124 /nfs/dbraw/zinc/51/71/24/1424517124.db2.gz UJCDRLUBJLICNT-GJMOJQLCSA-N 0 0 195.270 1.436 10 0 ADAERN CC(C)(C)CCNc1nnn[n-]1 83339983 1424530969 /nfs/dbraw/zinc/53/09/69/1424530969.db2.gz INVNUIVSFTUROQ-UHFFFAOYSA-N 0 0 169.232 1.048 10 0 ADAERN CCCC[C@H](CC)[NH2+]Cc1nnn[n-]1 68987363 1424538957 /nfs/dbraw/zinc/53/89/57/1424538957.db2.gz ZPKDFQYWNOKREZ-QMMMGPOBSA-N 0 0 197.286 1.258 10 0 ADAERN CC(C)C[N@H+](Cc1nnn[n-]1)C(C)C 95206972 1424548986 /nfs/dbraw/zinc/54/89/86/1424548986.db2.gz HGJNRUZDECRXNS-UHFFFAOYSA-N 0 0 197.286 1.066 10 0 ADAERN CC[C@H](C)C[N@H+](C)[C@@H](C)c1nnn[n-]1 95274687 1424550082 /nfs/dbraw/zinc/55/00/82/1424550082.db2.gz JMWPOHFDBGIPIR-YUMQZZPRSA-N 0 0 197.286 1.239 10 0 ADAERN CCC[C@@H](C)[NH2+]C[C@@H](C)c1nnn[n-]1 95288290 1424589454 /nfs/dbraw/zinc/58/94/54/1424589454.db2.gz KMTKDLMUAXVMQO-HTQZYQBOSA-N 0 0 197.286 1.081 10 0 ADAERN CCCCCCC[C@@H]([NH3+])c1nnn[n-]1 103512646 1424596528 /nfs/dbraw/zinc/59/65/28/1424596528.db2.gz OPCGKKDHLBDXJP-MRVPVSSYSA-N 0 0 197.286 1.560 10 0 ADAERN Clc1ccc(CNc2nnn[n-]2)o1 306458591 1424638781 /nfs/dbraw/zinc/63/87/81/1424638781.db2.gz ZWLMPYCDFULEMF-UHFFFAOYSA-N 0 0 199.601 1.058 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H]([NH3+])c1nnn[n-]1 307032273 1424651335 /nfs/dbraw/zinc/65/13/35/1424651335.db2.gz PXSQBEFTLINCNI-GJMOJQLCSA-N 0 0 195.270 1.026 10 0 ADAERN CC1([C@@H]([NH3+])c2nnn[n-]2)CCCCC1 307473510 1424713619 /nfs/dbraw/zinc/71/36/19/1424713619.db2.gz HRFGSGYUSLNCHH-ZETCQYMHSA-N 0 0 195.270 1.170 10 0 ADAERN CCCCCC[C@](C)([NH3+])c1nnn[n-]1 40396978 1424720385 /nfs/dbraw/zinc/72/03/85/1424720385.db2.gz SSLUXODHXRKJGJ-VIFPVBQESA-N 0 0 197.286 1.344 10 0 ADAERN CCC[C@@H](C)[NH2+]C[C@H](C)c1nnn[n-]1 95288292 1424754751 /nfs/dbraw/zinc/75/47/51/1424754751.db2.gz KMTKDLMUAXVMQO-JGVFFNPUSA-N 0 0 197.286 1.081 10 0 ADAERN Cc1ccc(F)c(Nc2nnn[n-]2)c1 95212113 1424808754 /nfs/dbraw/zinc/80/87/54/1424808754.db2.gz OMKUWDIZOVYGDY-UHFFFAOYSA-N 0 0 193.185 1.391 10 0 ADAERN CC(C)C(C(C)C)[C@@H]([NH3+])c1nnn[n-]1 308499546 1424825379 /nfs/dbraw/zinc/82/53/79/1424825379.db2.gz VGXBZQCEDXIGHH-MRVPVSSYSA-N 0 0 197.286 1.128 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]([NH3+])c2nnn[n-]2)C1 227549105 1424862880 /nfs/dbraw/zinc/86/28/80/1424862880.db2.gz SZNHVKUSJKRSQA-GJMOJQLCSA-N 0 0 195.270 1.026 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1Nc1nnn[n-]1 693727161 1424956951 /nfs/dbraw/zinc/95/69/51/1424956951.db2.gz GEWBSQYCPHJKEC-RQJHMYQMSA-N 0 0 181.243 1.046 10 0 ADAERN CC(C)C[C@@H](C)[N@H+](C)Cc1nnn[n-]1 95241740 1424957081 /nfs/dbraw/zinc/95/70/81/1424957081.db2.gz PJYYYVCNSYBQNJ-MRVPVSSYSA-N 0 0 197.286 1.066 10 0 ADAERN C(C[C@@H]1C[C@@H]1C1CC1)Nc1nnn[n-]1 712812357 1425036305 /nfs/dbraw/zinc/03/63/05/1425036305.db2.gz QHIAUQXZOXRHJL-HTQZYQBOSA-N 0 0 193.254 1.048 10 0 ADAERN CC[C@@H](C)C[C@@]([NH3+])(CC)c1nnn[n-]1 40397330 1425044575 /nfs/dbraw/zinc/04/45/75/1425044575.db2.gz KYSNENJEJJEAET-APPZFPTMSA-N 0 0 197.286 1.200 10 0 ADAERN C1CCC2(C1)CC[C@@H]2Nc1nnn[n-]1 693784811 1425090020 /nfs/dbraw/zinc/09/00/20/1425090020.db2.gz QLZLWXUJZCXZDO-ZETCQYMHSA-N 0 0 193.254 1.334 10 0 ADAERN CCC(CC)C[NH2+][C@@H](C)c1nnn[n-]1 44888872 1425119979 /nfs/dbraw/zinc/11/99/79/1425119979.db2.gz VDRSOHNPCSVJJJ-ZETCQYMHSA-N 0 0 197.286 1.287 10 0 ADAERN C[C@@H]([NH2+]C1CCCCC1)c1nnn[n-]1 44887653 1425198703 /nfs/dbraw/zinc/19/87/03/1425198703.db2.gz GKBDBHGANZZJRU-SSDOTTSWSA-N 0 0 195.270 1.183 10 0 ADAERN CC(C)C[NH2+][C@@H](c1nnn[n-]1)C(C)C 95207191 1425206400 /nfs/dbraw/zinc/20/64/00/1425206400.db2.gz NYRWNGAUVAFLJG-MRVPVSSYSA-N 0 0 197.286 1.142 10 0 ADAERN C[C@H]([NH2+]CCC(C)(C)C)c1nnn[n-]1 61839603 1425308301 /nfs/dbraw/zinc/30/83/01/1425308301.db2.gz RSPAYFLSNOFDCV-ZETCQYMHSA-N 0 0 197.286 1.287 10 0 ADAERN C[NH2+][C@H](c1nnn[n-]1)C1CCCCC1 95189521 1425345218 /nfs/dbraw/zinc/34/52/18/1425345218.db2.gz AHNZARCMSRHFNF-QMMMGPOBSA-N 0 0 195.270 1.041 10 0 ADAERN CCC(CC)[NH2+][C@@H](C)c1nnn[n-]1 44922813 1425783331 /nfs/dbraw/zinc/78/33/31/1425783331.db2.gz UAJCVSUVMBHQBF-LURJTMIESA-N 0 0 183.259 1.039 10 0 ADAERN CCCCCC[NH2+][C@@H](C)c1nnn[n-]1 44887628 1425788193 /nfs/dbraw/zinc/78/81/93/1425788193.db2.gz ADSUIIDLZUAKKC-QMMMGPOBSA-N 0 0 197.286 1.431 10 0 ADAERN NC(=O)Cc1ccc(C2CCC2)cc1 1250082675 766908989 /nfs/dbraw/zinc/90/89/89/766908989.db2.gz IGYBIDQWDVRHDX-UHFFFAOYSA-N 0 0 189.258 1.982 10 0 ADAERN Cc1cc(F)c(CC(N)=O)cc1F 1250083019 766913486 /nfs/dbraw/zinc/91/34/86/766913486.db2.gz DWORHYCCWJDYLO-UHFFFAOYSA-N 0 0 185.173 1.301 10 0 ADAERN CCNC(=O)Cc1cc(F)ccc1O 1250137127 766936554 /nfs/dbraw/zinc/93/65/54/766936554.db2.gz NQOHBYDTXFJWRK-UHFFFAOYSA-N 0 0 197.209 1.210 10 0 ADAERN CCNC(=O)CC=C(C)C 1250136240 766936720 /nfs/dbraw/zinc/93/67/20/766936720.db2.gz BUCAKQHMZOHNSB-UHFFFAOYSA-N 0 0 141.214 1.479 10 0 ADAERN CCNC(=O)Cc1ccc(O)cc1C 1250136325 766942963 /nfs/dbraw/zinc/94/29/63/766942963.db2.gz FPZMAZBKIWIBQL-UHFFFAOYSA-N 0 0 193.246 1.379 10 0 ADAERN Cc1nc(N)ncc1CC1CCC1 1250141524 766962177 /nfs/dbraw/zinc/96/21/77/766962177.db2.gz RKOLJRGAJUFDJD-UHFFFAOYSA-N 0 0 177.251 1.710 10 0 ADAERN FC(F)(F)CCc1cn[nH]c1 1250145898 766969731 /nfs/dbraw/zinc/96/97/31/766969731.db2.gz BAZHXSKXRPSRLE-UHFFFAOYSA-N 0 0 164.130 1.905 10 0 ADAERN O=c1[nH]cccc1Cc1cccnc1 1250169864 766996618 /nfs/dbraw/zinc/99/66/18/766996618.db2.gz IDOBUKHKBFBZQB-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN CC(C)=CCC(=O)N1CCOCC1 1250278937 767019129 /nfs/dbraw/zinc/01/91/29/767019129.db2.gz CNXOKJFFZLHFCV-UHFFFAOYSA-N 0 0 183.251 1.202 10 0 ADAERN O=c1[nH]cccc1Cc1ccncc1 1250313117 767024544 /nfs/dbraw/zinc/02/45/44/767024544.db2.gz SAZVEBRPNUQSJI-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN O=c1ccc(Cc2ccncc2)c[nH]1 1250313073 767025106 /nfs/dbraw/zinc/02/51/06/767025106.db2.gz QOZXIIVEBCWECJ-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN O=c1ccc(Cc2ccccn2)c[nH]1 1250319130 767030313 /nfs/dbraw/zinc/03/03/13/767030313.db2.gz BBGAOICLGWGGDS-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN COC(C)(C)Cc1cn[nH]c1 1250350819 767032379 /nfs/dbraw/zinc/03/23/79/767032379.db2.gz QDTZUZMDRHRQHW-UHFFFAOYSA-N 0 0 154.213 1.377 10 0 ADAERN CC(C)=CCC(=O)NC1CC1 1250379436 767034880 /nfs/dbraw/zinc/03/48/80/767034880.db2.gz QBOOIEZLHPXOOT-UHFFFAOYSA-N 0 0 153.225 1.621 10 0 ADAERN FC(F)Cc1nccs1 1250389322 767038738 /nfs/dbraw/zinc/03/87/38/767038738.db2.gz DYGMXTOWBIWGAK-UHFFFAOYSA-N 0 0 149.165 1.951 10 0 ADAERN FC(F)Cc1ncc[nH]1 1250390537 767041614 /nfs/dbraw/zinc/04/16/14/767041614.db2.gz CPVNBVPCSXWAJC-UHFFFAOYSA-N 0 0 132.113 1.217 10 0 ADAERN Cc1nc(N)ncc1CC(F)F 1250391370 767043228 /nfs/dbraw/zinc/04/32/28/767043228.db2.gz SEDNNLQKYDQUSQ-UHFFFAOYSA-N 0 0 173.166 1.175 10 0 ADAERN Cc1ncc(-c2cnccn2)s1 1250443441 767055613 /nfs/dbraw/zinc/05/56/13/767055613.db2.gz ZZZMKMGKOHFBPE-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN c1cnc(-c2cncs2)cn1 1250440246 767056822 /nfs/dbraw/zinc/05/68/22/767056822.db2.gz FPFPRSUAXQUMHK-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN Cc1ccnc(-c2ccc[nH]c2=O)n1 1250454172 767059481 /nfs/dbraw/zinc/05/94/81/767059481.db2.gz ZRYRQLBUQBBBKH-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1cnc(-c2ccc[nH]c2=O)nc1 1250498051 767066156 /nfs/dbraw/zinc/06/61/56/767066156.db2.gz QPYMLPAXWCNCOC-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN COc1ncccc1-c1cn[nH]c1 1250531541 767070018 /nfs/dbraw/zinc/07/00/18/767070018.db2.gz DBGZGFRZYYDAOC-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN Cc1ccc(-c2cccc(=O)[nH]2)nn1 1250519142 767070538 /nfs/dbraw/zinc/07/05/38/767070538.db2.gz GNFDTVFPNQYJTI-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1ccc(-c2ccc[nH]c2=O)nn1 1250519321 767071212 /nfs/dbraw/zinc/07/12/12/767071212.db2.gz GGRLQCBOKGRPLN-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1ccc(-c2cncc(O)c2)nn1 1250518761 767071703 /nfs/dbraw/zinc/07/17/03/767071703.db2.gz COSCGDRCXSQMDM-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1ccc(-c2ccnc(N)c2)nn1 1250519131 767071821 /nfs/dbraw/zinc/07/18/21/767071821.db2.gz GETSMKZFZRIXGO-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[C@@H](O)CNc1ncc(C)nc1C 1251759196 767080005 /nfs/dbraw/zinc/08/00/05/767080005.db2.gz HYNFQSZSMUVQER-SECBINFHSA-N 0 0 195.266 1.276 10 0 ADAERN CCc1cccc(NC[C@H](O)CC)n1 1251761321 767082751 /nfs/dbraw/zinc/08/27/51/767082751.db2.gz XSUHVDXZLKTTSW-SNVBAGLBSA-N 0 0 194.278 1.827 10 0 ADAERN CC[C@@H](O)CN1Cc2ncsc2C1 1251780123 767085454 /nfs/dbraw/zinc/08/54/54/767085454.db2.gz FXFHZNHLPKTXGU-SSDOTTSWSA-N 0 0 198.291 1.230 10 0 ADAERN Cc1nc2c(s1)CN(C[C@H](C)O)C2 1251962110 767093301 /nfs/dbraw/zinc/09/33/01/767093301.db2.gz BLNCCOKSWVASER-LURJTMIESA-N 0 0 198.291 1.148 10 0 ADAERN CCc1cccc(NC[C@H](C)O)n1 1251957148 767094728 /nfs/dbraw/zinc/09/47/28/767094728.db2.gz MLXIEPOIHJBEES-QMMMGPOBSA-N 0 0 180.251 1.437 10 0 ADAERN CCCC[C@H](O)CNCc1ncco1 1252077072 767116501 /nfs/dbraw/zinc/11/65/01/767116501.db2.gz DDQXWDDGUXAHAK-VIFPVBQESA-N 0 0 198.266 1.315 10 0 ADAERN CCCC[C@@H](O)CNCc1ncco1 1252077071 767117720 /nfs/dbraw/zinc/11/77/20/767117720.db2.gz DDQXWDDGUXAHAK-SECBINFHSA-N 0 0 198.266 1.315 10 0 ADAERN CCCC[C@H](O)CN[C@@H]1CC1(F)F 1252106879 767118685 /nfs/dbraw/zinc/11/86/85/767118685.db2.gz RKLALUWJBWTVPF-JGVFFNPUSA-N 0 0 193.237 1.535 10 0 ADAERN CCCC[C@@H](O)CN[C@@H]1CC1(F)F 1252106877 767121700 /nfs/dbraw/zinc/12/17/00/767121700.db2.gz RKLALUWJBWTVPF-HTQZYQBOSA-N 0 0 193.237 1.535 10 0 ADAERN CCCC[C@H](O)CN[C@H]1CC1(F)F 1252106882 767122521 /nfs/dbraw/zinc/12/25/21/767122521.db2.gz RKLALUWJBWTVPF-YUMQZZPRSA-N 0 0 193.237 1.535 10 0 ADAERN CCCC[C@@H](O)CN[C@H]1CC1(F)F 1252106881 767123946 /nfs/dbraw/zinc/12/39/46/767123946.db2.gz RKLALUWJBWTVPF-SFYZADRCSA-N 0 0 193.237 1.535 10 0 ADAERN CCc1cccc(NCC(C)(C)O)n1 1252348861 767126500 /nfs/dbraw/zinc/12/65/00/767126500.db2.gz RBUSOOOQYMHULL-UHFFFAOYSA-N 0 0 194.278 1.827 10 0 ADAERN CC(C)(O)CN1Cc2ncsc2C1 1252356211 767131597 /nfs/dbraw/zinc/13/15/97/767131597.db2.gz UBXXWSMQNMNVAI-UHFFFAOYSA-N 0 0 198.291 1.230 10 0 ADAERN O=C(NC1CC=CC1)NC1CSC1 1252682750 767188828 /nfs/dbraw/zinc/18/88/28/767188828.db2.gz IIOIMOVCVIOCTD-UHFFFAOYSA-N 0 0 198.291 1.120 10 0 ADAERN CCC[C@H](O)CNc1ccnnc1 1252774626 767194315 /nfs/dbraw/zinc/19/43/15/767194315.db2.gz SAZVUFRRSSLGBD-VIFPVBQESA-N 0 0 181.239 1.050 10 0 ADAERN CCC[C@@H](O)CNc1ccnnc1 1252774625 767195471 /nfs/dbraw/zinc/19/54/71/767195471.db2.gz SAZVUFRRSSLGBD-SECBINFHSA-N 0 0 181.239 1.050 10 0 ADAERN CCC[C@H](O)CN[C@@H]1CC1(F)F 1252795794 767196723 /nfs/dbraw/zinc/19/67/23/767196723.db2.gz FDYZCNZRGBMOPS-NKWVEPMBSA-N 0 0 179.210 1.145 10 0 ADAERN CCC[C@H](O)CN[C@H]1CC1(F)F 1252795793 767196753 /nfs/dbraw/zinc/19/67/53/767196753.db2.gz FDYZCNZRGBMOPS-BQBZGAKWSA-N 0 0 179.210 1.145 10 0 ADAERN CCC[C@@H](O)CN[C@@H]1CC1(F)F 1252795795 767199633 /nfs/dbraw/zinc/19/96/33/767199633.db2.gz FDYZCNZRGBMOPS-RNFRBKRXSA-N 0 0 179.210 1.145 10 0 ADAERN CCC[C@@H](O)CN[C@H]1CC1(F)F 1252795796 767200457 /nfs/dbraw/zinc/20/04/57/767200457.db2.gz FDYZCNZRGBMOPS-RQJHMYQMSA-N 0 0 179.210 1.145 10 0 ADAERN Cc1nnc(CCc2cccnc2)o1 1253362231 767207267 /nfs/dbraw/zinc/20/72/67/767207267.db2.gz BJPHJUIJBIWFBE-UHFFFAOYSA-N 0 0 189.218 1.558 10 0 ADAERN COC(=O)CCCCc1nnc(C)o1 1253397340 767210320 /nfs/dbraw/zinc/21/03/20/767210320.db2.gz OBRHGDGSHXABPH-UHFFFAOYSA-N 0 0 198.222 1.264 10 0 ADAERN Cc1nnc(-c2ccnc(F)c2F)o1 1253436676 767214209 /nfs/dbraw/zinc/21/42/09/767214209.db2.gz FJTNZQIBMNMISL-UHFFFAOYSA-N 0 0 197.144 1.718 10 0 ADAERN Cc1ccnc(-c2nnc(C)o2)n1 1253444867 767214406 /nfs/dbraw/zinc/21/44/06/767214406.db2.gz YLSHWJZIDBNTRJ-UHFFFAOYSA-N 0 0 176.179 1.143 10 0 ADAERN COCc1ccc(-c2nnc(C)o2)o1 1253436764 767215438 /nfs/dbraw/zinc/21/54/38/767215438.db2.gz HPNMFHGPOUXHOT-UHFFFAOYSA-N 0 0 194.190 1.784 10 0 ADAERN CC(C)(C)[C@H](O)CN[C@H]1CC1(F)F 1253740091 767269253 /nfs/dbraw/zinc/26/92/53/767269253.db2.gz NZBAIKPNMYAKER-NKWVEPMBSA-N 0 0 193.237 1.391 10 0 ADAERN CC(C)(C)[C@H](O)CN[C@@H]1CC1(F)F 1253740092 767270183 /nfs/dbraw/zinc/27/01/83/767270183.db2.gz NZBAIKPNMYAKER-RNFRBKRXSA-N 0 0 193.237 1.391 10 0 ADAERN CC(C)(C)[C@@H](O)CN[C@H]1CC1(F)F 1253740090 767271954 /nfs/dbraw/zinc/27/19/54/767271954.db2.gz NZBAIKPNMYAKER-BQBZGAKWSA-N 0 0 193.237 1.391 10 0 ADAERN CC(C)(C)[C@@H](O)CN[C@@H]1CC1(F)F 1253740093 767272532 /nfs/dbraw/zinc/27/25/32/767272532.db2.gz NZBAIKPNMYAKER-RQJHMYQMSA-N 0 0 193.237 1.391 10 0 ADAERN CC(C)[C@H](O)CN[C@@H]1CC1(F)F 1253777317 767273029 /nfs/dbraw/zinc/27/30/29/767273029.db2.gz NHPPYXVQRTUFPU-RNFRBKRXSA-N 0 0 179.210 1.001 10 0 ADAERN CC(C)[C@@H](O)CN[C@@H]1CC1(F)F 1253777316 767274900 /nfs/dbraw/zinc/27/49/00/767274900.db2.gz NHPPYXVQRTUFPU-NKWVEPMBSA-N 0 0 179.210 1.001 10 0 ADAERN CC(C)[C@@H](O)CN[C@H]1CC1(F)F 1253777315 767275756 /nfs/dbraw/zinc/27/57/56/767275756.db2.gz NHPPYXVQRTUFPU-BQBZGAKWSA-N 0 0 179.210 1.001 10 0 ADAERN CC(C)[C@H](O)CN[C@H]1CC1(F)F 1253777318 767276080 /nfs/dbraw/zinc/27/60/80/767276080.db2.gz NHPPYXVQRTUFPU-RQJHMYQMSA-N 0 0 179.210 1.001 10 0 ADAERN C[C@H]1CCCC[C@@]1(C)Nc1nnn[n-]1 693729243 1426169250 /nfs/dbraw/zinc/16/92/50/1426169250.db2.gz DQASSAMBHCELBD-IONNQARKSA-N 0 0 195.270 1.580 10 0 ADAERN CC[C@](C)(Nc1nnn[n-]1)C1CC1 693669028 1426197416 /nfs/dbraw/zinc/19/74/16/1426197416.db2.gz DDGSZZXUSKMYMK-QMMMGPOBSA-N 0 0 181.243 1.190 10 0 ADAERN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1nnn[n-]1 306750470 1426253635 /nfs/dbraw/zinc/25/36/35/1426253635.db2.gz IZMLWWXNSUWJFX-RNFRBKRXSA-N 0 0 195.270 1.039 10 0 ADAERN CC(F)(F)CCCNc1nnn[n-]1 693696440 1426305037 /nfs/dbraw/zinc/30/50/37/1426305037.db2.gz NNGKBWIGXMCJDT-UHFFFAOYSA-N 0 0 191.185 1.047 10 0 ADAERN C[C@H](CC1CCCC1)n1[n-]nnc1=[NH2+] 712551428 1426513921 /nfs/dbraw/zinc/51/39/21/1426513921.db2.gz OMAQFKPDPMYVGM-SSDOTTSWSA-N 0 0 195.270 1.227 10 0 ADAERN C[C@@H]([NH2+]CC1CCCC1)c1nnn[n-]1 50272006 1426659199 /nfs/dbraw/zinc/65/91/99/1426659199.db2.gz MGPTVKICBKOQEP-SSDOTTSWSA-N 0 0 195.270 1.041 10 0 ADAERN CCCCC[NH2+][C@@H](C)c1nnn[n-]1 44923833 1426759201 /nfs/dbraw/zinc/75/92/01/1426759201.db2.gz BRLLCIPIYMGNBZ-ZETCQYMHSA-N 0 0 183.259 1.041 10 0 ADAERN CC(C)C[C@@H](C)[NH2+][C@H](C)c1nnn[n-]1 44888518 1426787833 /nfs/dbraw/zinc/78/78/33/1426787833.db2.gz YLJPRQSIYGXPBL-HTQZYQBOSA-N 0 0 197.286 1.285 10 0 ADAERN CCN(c1nnn[n-]1)[C@H](C)C(C)C 706501479 1426823400 /nfs/dbraw/zinc/82/34/00/1426823400.db2.gz QAFLRSBNPBMCND-SSDOTTSWSA-N 0 0 183.259 1.071 10 0 ADAERN CCCC1([C@@H]([NH3+])c2nnn[n-]2)CCC1 686136311 1426838876 /nfs/dbraw/zinc/83/88/76/1426838876.db2.gz OPPFBSKHBMDECM-ZETCQYMHSA-N 0 0 195.270 1.170 10 0 ADAERN CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnn[n-]1 251861088 1426860584 /nfs/dbraw/zinc/86/05/84/1426860584.db2.gz OKAXHJGFLTXSGI-BIIVOSGPSA-N 0 0 197.286 1.285 10 0 ADAERN C[C@H]([NH2+]C1CC(C)(C)C1)c1nnn[n-]1 307477531 1426960039 /nfs/dbraw/zinc/96/00/39/1426960039.db2.gz MDRKAANJJYWAGC-LURJTMIESA-N 0 0 195.270 1.039 10 0 ADAERN C[C@@H]([NH2+]CC1(C)CCC1)c1nnn[n-]1 687269442 1426973382 /nfs/dbraw/zinc/97/33/82/1426973382.db2.gz WJMZOAYEWGVHJE-SSDOTTSWSA-N 0 0 195.270 1.041 10 0 ADAERN CC(C)(C)[C@H](Nc1nnn[n-]1)C1CC1 693728250 1426995744 /nfs/dbraw/zinc/99/57/44/1426995744.db2.gz WRYJPKFIMJIKFV-SSDOTTSWSA-N 0 0 195.270 1.436 10 0 ADAERN CC(C)C[C@@H](C)[NH2+][C@@H](C)c1nnn[n-]1 44888514 1427303120 /nfs/dbraw/zinc/30/31/20/1427303120.db2.gz YLJPRQSIYGXPBL-SFYZADRCSA-N 0 0 197.286 1.285 10 0 ADAERN CC(C)C[C@H]1CCCN1c1nnn[n-]1 693728931 1427802172 /nfs/dbraw/zinc/80/21/72/1427802172.db2.gz CIOKJYYVGSXMJO-MRVPVSSYSA-N 0 0 195.270 1.215 10 0 ADAERN C[C@H]1CCC[C@H](N(C)c2nnn[n-]2)C1 693680420 1427812718 /nfs/dbraw/zinc/81/27/18/1427812718.db2.gz MNEIYBRFNSZXOP-YUMQZZPRSA-N 0 0 195.270 1.215 10 0 ADAERN CC[C@@H](C)C[C@]([NH3+])(CC)c1nnn[n-]1 40397334 1427886453 /nfs/dbraw/zinc/88/64/53/1427886453.db2.gz KYSNENJEJJEAET-VXNVDRBHSA-N 0 0 197.286 1.200 10 0 ADAERN CC[C@@H]([NH2+][C@@H](C)c1nnn[n-]1)C1CC1 83056156 1428314781 /nfs/dbraw/zinc/31/47/81/1428314781.db2.gz GVRAKUDTGCRNFB-POYBYMJQSA-N 0 0 195.270 1.039 10 0 ADAERN CC(C)CCC[C@H]([NH3+])c1nnn[n-]1 703986853 1428403160 /nfs/dbraw/zinc/40/31/60/1428403160.db2.gz JYNIPINGHWEVTD-ZETCQYMHSA-N 0 0 183.259 1.026 10 0 ADAERN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1nnn[n-]1 70643768 1428635435 /nfs/dbraw/zinc/63/54/35/1428635435.db2.gz COFVQTKRIPWZEA-GJMOJQLCSA-N 0 0 195.270 1.039 10 0 ADAERN CCCCCC[C@@H](C[NH3+])c1nnn[n-]1 36143301 1428877505 /nfs/dbraw/zinc/87/75/05/1428877505.db2.gz RBUYCBXWSPQQMT-QMMMGPOBSA-N 0 0 197.286 1.212 10 0 ADAERN [NH3+][C@H](c1nnn[n-]1)C1CCCCCC1 84330260 1428935338 /nfs/dbraw/zinc/93/53/38/1428935338.db2.gz CPPWMZRHTHNHMY-QMMMGPOBSA-N 0 0 195.270 1.170 10 0 ADAERN CC[C@@H](C)CCNc1nnn[n-]1 693711381 1428937044 /nfs/dbraw/zinc/93/70/44/1428937044.db2.gz RBZNNBXEOYOEQQ-ZCFIWIBFSA-N 0 0 169.232 1.048 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]1CNc1nnn[n-]1 699744441 1428941587 /nfs/dbraw/zinc/94/15/87/1428941587.db2.gz DQXROIHZRHWCBM-RNFRBKRXSA-N 0 0 195.270 1.294 10 0 ADAERN CC[C@H](C1CCC1)N(C)c1nnn[n-]1 693677532 1429170375 /nfs/dbraw/zinc/17/03/75/1429170375.db2.gz LMKVEXBAZFSQLH-MRVPVSSYSA-N 0 0 195.270 1.215 10 0 ADAERN CC(C)[C@H](C)C[NH2+][C@H](C)c1nnn[n-]1 95227276 1429193866 /nfs/dbraw/zinc/19/38/66/1429193866.db2.gz LWSVFTTVRVYZRR-HTQZYQBOSA-N 0 0 197.286 1.142 10 0 ADAERN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1nnn[n-]1 306750464 1429321271 /nfs/dbraw/zinc/32/12/71/1429321271.db2.gz IZMLWWXNSUWJFX-NKWVEPMBSA-N 0 0 195.270 1.039 10 0 ADAERN CC(C)C1([C@@H]([NH3+])c2nnn[n-]2)CCC1 686136346 1429390726 /nfs/dbraw/zinc/39/07/26/1429390726.db2.gz POEOARTWEGIXNI-ZETCQYMHSA-N 0 0 195.270 1.026 10 0 ADAERN C[C@H](O)C1CCC(=O)CC1 149133229 560044603 /nfs/dbraw/zinc/04/46/03/560044603.db2.gz HULMWORCWDJDCV-LURJTMIESA-N 0 0 142.198 1.127 10 0 biogenic,in-vitro ADAERN CC[C@@H](O)C1CCC(=O)CC1 84154567 560045807 /nfs/dbraw/zinc/04/58/07/560045807.db2.gz XBUUYYORWQIYJO-SECBINFHSA-N 0 0 156.225 1.517 10 0 biogenic,in-vitro ADAERN CC1=CC[C@@H]2[C@H](C1)[C@]2(C)CO 95099138 560062658 /nfs/dbraw/zinc/06/26/58/560062658.db2.gz YPFHKSCCUJXMAG-KXUCPTDWSA-N 0 0 152.237 1.971 10 0 biogenic,in-vitro ADAERN CC1=CC[C@@H]2[C@H](C1)[C@@]2(C)CO 95099137 560062669 /nfs/dbraw/zinc/06/26/69/560062669.db2.gz YPFHKSCCUJXMAG-UTLUCORTSA-N 0 0 152.237 1.971 10 0 biogenic,in-vitro ADAERN O[C@@H]1C[C@H]2C=C[C@@H]1CC2 85488744 560075708 /nfs/dbraw/zinc/07/57/08/560075708.db2.gz KEXYAVHJBNJUCG-XLPZGREQSA-N 0 0 124.183 1.333 10 0 biogenic,in-vitro ADAERN CCC1(O)CCC(=O)CC1 84887955 560076279 /nfs/dbraw/zinc/07/62/79/560076279.db2.gz DTEDYTYLWQAGIX-UHFFFAOYSA-N 0 0 142.198 1.271 10 0 biogenic,in-vitro ADAERN CC(C)[C@@]12C[C@@H]1[C@](C)(O)[C@H](O)C2 39104406 560081976 /nfs/dbraw/zinc/08/19/76/560081976.db2.gz PRHLXOXJZCCENK-IMSYWVGJSA-N 0 0 170.252 1.164 10 0 biogenic,in-vitro ADAERN CCc1cc(OC)c2c(c1)OCO2 60249608 560082173 /nfs/dbraw/zinc/08/21/73/560082173.db2.gz LJCIESHRVPWJJM-UHFFFAOYSA-N 0 0 180.203 1.986 10 0 biogenic,in-vitro ADAERN CC1=C[C@@H](O)[C@H](C(C)C)C[C@H]1O 59589151 560082585 /nfs/dbraw/zinc/08/25/85/560082585.db2.gz CDEBGVXOFDWUAF-IVZWLZJFSA-N 0 0 170.252 1.330 10 0 biogenic,in-vitro ADAERN CC1(C)[C@@H]2CC[C@@H](C2)[C@]1(O)CO 33961492 560087606 /nfs/dbraw/zinc/08/76/06/560087606.db2.gz AVCGLLALGWYORY-KHQFGBGNSA-N 0 0 170.252 1.166 10 0 biogenic,in-vitro ADAERN C[C@@H]1CCc2c(C(N)=O)cncc21 33832899 560088094 /nfs/dbraw/zinc/08/80/94/560088094.db2.gz CPWSAKUPXWXJPQ-ZCFIWIBFSA-N 0 0 176.219 1.230 10 0 biogenic,in-vitro ADAERN C[C@]1(CO)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 14860433 560098454 /nfs/dbraw/zinc/09/84/54/560098454.db2.gz NMQKRFRZSBQYQF-KATARQTJSA-N 0 0 170.252 1.166 10 0 biogenic ADAERN CCO[C@H](c1ccc(O)cc1)[C@H](C)O 14504491 560102319 /nfs/dbraw/zinc/10/23/19/560102319.db2.gz DEWMLNMGECEYBQ-KWQFWETISA-N 0 0 196.246 1.851 10 0 biogenic ADAERN CCO[C@H](c1ccc(O)cc1)[C@@H](C)O 14504485 560102328 /nfs/dbraw/zinc/10/23/28/560102328.db2.gz DEWMLNMGECEYBQ-KCJUWKMLSA-N 0 0 196.246 1.851 10 0 biogenic ADAERN C[C@]12CC[C@H](C[C@@H]1O)[C@@]2(C)CO 13378693 560104672 /nfs/dbraw/zinc/10/46/72/560104672.db2.gz NMQKRFRZSBQYQF-XFWSIPNHSA-N 0 0 170.252 1.166 10 0 biogenic ADAERN CC1=C2CC[C@H](C)C[C@]2(O)OC1=O 6037454 560109691 /nfs/dbraw/zinc/10/96/91/560109691.db2.gz LBNWZGLSMCTAQB-WKEGUHRASA-N 0 0 182.219 1.368 10 0 endogenous,in-man ADAERN [NH3+][C@@H](c1nnn[n-]1)C1CCCCCC1 84330261 1429537177 /nfs/dbraw/zinc/53/71/77/1429537177.db2.gz CPPWMZRHTHNHMY-MRVPVSSYSA-N 0 0 195.270 1.170 10 0 ADAERN CC1(C)O[C@]2(C)CC[C@H]1[C@@H](O)C2 901645 560179775 /nfs/dbraw/zinc/17/97/75/560179775.db2.gz WHIKIYRWRMRQNK-OYNCUSHFSA-N 0 0 170.252 1.715 10 0 in-vitro ADAERN Cc1cc2oc(=O)ccc2cc1O 384863 560178036 /nfs/dbraw/zinc/17/80/36/560178036.db2.gz JSKYRABEGKTTPD-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 biogenic,in-vitro ADAERN CC1(C)O[C@@]2(C)CC[C@@H]1CC2=O 895410 560178728 /nfs/dbraw/zinc/17/87/28/560178728.db2.gz CCBAAZXPXFYPBE-XCBNKYQSSA-N 0 0 168.236 1.923 10 0 in-vitro ADAERN CC1(C)O[C@]2(C)CC[C@H]1CC2=O 895409 560178787 /nfs/dbraw/zinc/17/87/87/560178787.db2.gz CCBAAZXPXFYPBE-OIBJUYFYSA-N 0 0 168.236 1.923 10 0 in-vitro ADAERN Oc1cc(O)c2c(O)cccc2c1 895520 560178796 /nfs/dbraw/zinc/17/87/96/560178796.db2.gz USWUTUCXLQBQCG-UHFFFAOYSA-N 0 0 176.171 1.957 10 0 biogenic,in-vitro ADAERN CC1=N[C@@H]2CC(=O)[C@H]1[C@@H](C)C2 899037 560179324 /nfs/dbraw/zinc/17/93/24/560179324.db2.gz XWZBTIGBVQYTRB-GCHGDONOSA-N 0 0 151.209 1.445 10 0 in-vitro ADAERN CC1(C)O[C@]2(C)CC[C@H]1CC(=O)O2 902149 560180024 /nfs/dbraw/zinc/18/00/24/560180024.db2.gz KAUZXNDCPVMFCH-OIBJUYFYSA-N 0 0 184.235 1.855 10 0 in-vitro ADAERN CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@@H]2O 968160 560180228 /nfs/dbraw/zinc/18/02/28/560180228.db2.gz DJQYBVLXBVJHMU-BYULHYEWSA-N 0 0 168.236 1.373 10 0 in-vitro ADAERN CC1(C)O[C@@]2(C)CC[C@@H]1[C@H](O)C2 968155 560180212 /nfs/dbraw/zinc/18/02/12/560180212.db2.gz WHIKIYRWRMRQNK-MRTMQBJTSA-N 0 0 170.252 1.715 10 0 biogenic,in-vitro ADAERN C1=Cc2cccn2C1 1570201 560182313 /nfs/dbraw/zinc/18/23/13/560182313.db2.gz HHONATOJHSQDPZ-UHFFFAOYSA-N 0 0 105.140 1.515 10 0 in-vitro ADAERN C/C=C/CCC(=O)C[C@@H](O)CCO 1581653 560182585 /nfs/dbraw/zinc/18/25/85/560182585.db2.gz SHHVNLZCXWAKNG-PBKGFPTLSA-N 0 0 186.251 1.045 10 0 in-vitro ADAERN CCCC(=O)NC(=O)c1ccccc1 1594314 560182751 /nfs/dbraw/zinc/18/27/51/560182751.db2.gz IZASOBLABHUGCO-UHFFFAOYSA-N 0 0 191.230 1.743 10 0 in-vitro ADAERN CC1(C)[C@@H]2CC(=O)[C@@]1(C)[C@@H](O)C2 2023020 560185770 /nfs/dbraw/zinc/18/57/70/560185770.db2.gz UNOCSJVDJYDPTN-MHYGZLNHSA-N 0 0 168.236 1.373 10 0 in-vitro ADAERN C[C@@H]1CCCCOC1=O 3640700 560189038 /nfs/dbraw/zinc/18/90/38/560189038.db2.gz IYBOGQYZTIIPNI-ZCFIWIBFSA-N 0 0 128.171 1.350 10 0 in-vitro ADAERN CC1(C)O[C@@]2(C)CC[C@@H]1[C@@H](O)C2 4096021 560193727 /nfs/dbraw/zinc/19/37/27/560193727.db2.gz WHIKIYRWRMRQNK-WEDXCCLWSA-N 0 0 170.252 1.715 10 0 in-vitro ADAERN CC[C@H](C)C[C@]([NH3+])(CC)c1nnn[n-]1 40397336 1429631112 /nfs/dbraw/zinc/63/11/12/1429631112.db2.gz KYSNENJEJJEAET-IONNQARKSA-N 0 0 197.286 1.200 10 0 ADAERN C[C@@H]1CO[C@H](O)[C@@H]2[C@@H](C)CC[C@H]12 4098345 560195533 /nfs/dbraw/zinc/19/55/33/560195533.db2.gz DUQRVHURUWMFMN-CHHOWFRJSA-N 0 0 170.252 1.633 10 0 in-vitro ADAERN C[C@@H]1CC[C@@H]2CC(=O)OC[C@H]12 4098335 560195569 /nfs/dbraw/zinc/19/55/69/560195569.db2.gz VGWJUWSHYRJZKH-BWZBUEFSSA-N 0 0 154.209 1.596 10 0 biogenic,in-vitro ADAERN CC1=CO[C@@H](O)[C@H]2[C@@H]1CC[C@H]2C 4102145 560196501 /nfs/dbraw/zinc/19/65/01/560196501.db2.gz OJGPEAXUHQRLNC-PEBGCTIMSA-N 0 0 168.236 1.901 10 0 in-vitro ADAERN O[C@H]1CC[C@H](c2cccnc2)O1 5162006 560201123 /nfs/dbraw/zinc/20/11/23/560201123.db2.gz LHGVLZHIYVKZBT-RKDXNWHRSA-N 0 0 165.192 1.252 10 0 in-vitro ADAERN CC1(C)[C@@H]2CC(=O)O[C@@]1(C)CC2=O 4654617 560198838 /nfs/dbraw/zinc/19/88/38/560198838.db2.gz UDJVKSCOEHSXBZ-LDWIPMOCSA-N 0 0 182.219 1.307 10 0 in-vitro ADAERN C[C@@H]1CC(=O)c2c(O)cccc2[C@@H]1O 4654690 560198910 /nfs/dbraw/zinc/19/89/10/560198910.db2.gz YUPNHTWYVBHLMG-KSBSHMNSSA-N 0 0 192.214 1.648 10 0 biogenic,in-vitro ADAERN CC1(C)[C@@H]2CC(=O)O[C@@]1(C)C[C@H]2O 4654626 560198920 /nfs/dbraw/zinc/19/89/20/560198920.db2.gz CLHVOQQIYBCJNZ-XSSZXYGBSA-N 0 0 184.235 1.099 10 0 in-vitro ADAERN CC1(C)[C@H]2CC(=O)O[C@]1(C)C[C@H]2O 4654625 560198960 /nfs/dbraw/zinc/19/89/60/560198960.db2.gz CLHVOQQIYBCJNZ-NYNCVSEMSA-N 0 0 184.235 1.099 10 0 in-vitro ADAERN N#[N+]c1ccccc1S(=O)(=O)[O-] 4654885 560199302 /nfs/dbraw/zinc/19/93/02/560199302.db2.gz FVBQLLGDMXIQEI-UHFFFAOYSA-O 0 0 185.184 1.418 10 0 in-vitro ADAERN Cc1ccc2c(c1)[C@@H](O)[C@@H](O)C=C2 4655013 560199386 /nfs/dbraw/zinc/19/93/86/560199386.db2.gz ISBMHLUJIIODOL-WDEREUQCSA-N 0 0 176.215 1.416 10 0 in-vitro ADAERN Cc1cccc2c1[C@@H](O)[C@@H](O)C=C2 4655002 560199401 /nfs/dbraw/zinc/19/94/01/560199401.db2.gz DHOOIOZYXOGWHB-ONGXEEELSA-N 0 0 176.215 1.416 10 0 in-vitro ADAERN ONc1cccc(O)c1 4655218 560199615 /nfs/dbraw/zinc/19/96/15/560199615.db2.gz NAKOPKHXTPVJIZ-UHFFFAOYSA-N 0 0 125.127 1.193 10 0 in-vitro ADAERN N#[N+]c1ccccc1C(=O)[O-] 5103417 560200598 /nfs/dbraw/zinc/20/05/98/560200598.db2.gz FKZBDLSCPJIJRH-UHFFFAOYSA-O 0 0 149.129 1.869 10 0 in-vitro ADAERN CC12C(=O)CC(CC1=O)C2(C)C 5734324 560202868 /nfs/dbraw/zinc/20/28/68/560202868.db2.gz PCEVUTCFZAQRKV-UHFFFAOYSA-N 0 0 166.220 1.581 10 0 in-vitro ADAERN O=C(c1ccccc1)c1cn[nH]c1 5946553 560203834 /nfs/dbraw/zinc/20/38/34/560203834.db2.gz NPRXQXFTKCBAAY-UHFFFAOYSA-N 0 0 172.187 1.641 10 0 in-vitro ADAERN CCCCC[C@@H](C)NC=O 5978207 560204039 /nfs/dbraw/zinc/20/40/39/560204039.db2.gz GFVRKPKAQHTAQK-MRVPVSSYSA-N 0 0 143.230 1.701 10 0 in-vitro ADAERN O=C(NCCc1ccccc1)C(F)F 8381142 560208850 /nfs/dbraw/zinc/20/88/50/560208850.db2.gz CGDCREPVVSVRFJ-UHFFFAOYSA-N 0 0 199.200 1.610 10 0 in-vitro ADAERN CC1=CC[C@H]2[C@@H](O)[C@@H]1C2(C)C 12153155 560211510 /nfs/dbraw/zinc/21/15/10/560211510.db2.gz IRZWAJHUWGZMMT-DJLDLDEBSA-N 0 0 152.237 1.970 10 0 biogenic,in-vitro ADAERN CC1(C)CCC[C@@]2(C)OC(=O)C[C@@]12O 13308533 560214100 /nfs/dbraw/zinc/21/41/00/560214100.db2.gz TWGFYQIUSFIVDO-GHMZBOCLSA-N 0 0 198.262 1.633 10 0 biogenic,in-vitro ADAERN CC[C@@H]1CC[C@H](Nc2nnn[n-]2)[C@H]1C 693666314 1429653763 /nfs/dbraw/zinc/65/37/63/1429653763.db2.gz BIYCJJZGVHURDQ-RNJXMRFFSA-N 0 0 195.270 1.436 10 0 ADAERN C[C@H]1Cc2c(O)ccc(O)c2C(=O)O1 13459786 560216899 /nfs/dbraw/zinc/21/68/99/560216899.db2.gz OYNVCZYCJBELMQ-YFKPBYRVSA-N 0 0 194.186 1.199 10 0 biogenic,in-vitro ADAERN C[C@@H]1Cc2c(O)ccc(O)c2C(=O)O1 13459784 560216906 /nfs/dbraw/zinc/21/69/06/560216906.db2.gz OYNVCZYCJBELMQ-RXMQYKEDSA-N 0 0 194.186 1.199 10 0 biogenic,in-vitro ADAERN Cc1ccc2c(c1O)C(=O)O[C@@H](C)C2 13460774 560217009 /nfs/dbraw/zinc/21/70/09/560217009.db2.gz SLYRNFYMGDTQEZ-ZETCQYMHSA-N 0 0 192.214 1.802 10 0 biogenic,in-vitro ADAERN CC1(C)C[C@@H](O)c2cc(O)ccc2O1 13460320 560217053 /nfs/dbraw/zinc/21/70/53/560217053.db2.gz QAIKLSOPCIZDKK-SECBINFHSA-N 0 0 194.230 1.987 10 0 biogenic,in-vitro ADAERN C[C@@H]1C[C@@H](O)c2c(O)cccc2O1 13462815 560217142 /nfs/dbraw/zinc/21/71/42/560217142.db2.gz BXFIHDMPMGLIDF-HTRCEHHLSA-N 0 0 180.203 1.597 10 0 biogenic,in-vitro ADAERN CC(C)CC[C@@H]1C(=O)O[C@@H](C)[C@@H]1O 13461841 560217147 /nfs/dbraw/zinc/21/71/47/560217147.db2.gz KBJCRTCKPJQWOP-CIUDSAMLSA-N 0 0 186.251 1.345 10 0 in-vitro ADAERN C[C@H](N(C)c1nnn[n-]1)C(C)(C)C 693696551 1429659375 /nfs/dbraw/zinc/65/93/75/1429659375.db2.gz PUJKOPRTSUNPFO-LURJTMIESA-N 0 0 183.259 1.071 10 0 ADAERN CC1(C)[C@H]2CC(=O)[C@]1(C)[C@@H](O)C2 14444527 560221565 /nfs/dbraw/zinc/22/15/65/560221565.db2.gz UNOCSJVDJYDPTN-FWWHASMVSA-N 0 0 168.236 1.373 10 0 in-vitro ADAERN CC1(C)[C@H]2CC(=O)[C@]1(C)[C@H](O)C2 14444525 560221632 /nfs/dbraw/zinc/22/16/32/560221632.db2.gz UNOCSJVDJYDPTN-XSSZXYGBSA-N 0 0 168.236 1.373 10 0 in-vitro ADAERN CC(=O)[C@@H](O)c1ccc(C)cc1O 14455279 560221700 /nfs/dbraw/zinc/22/17/00/560221700.db2.gz FOHLVJQDZBALFM-SNVBAGLBSA-N 0 0 180.203 1.323 10 0 biogenic,in-vitro ADAERN CO[C@H](CO)c1ccc(O)cc1 14503470 560222010 /nfs/dbraw/zinc/22/20/10/560222010.db2.gz UHDDGONMYAQWBV-SECBINFHSA-N 0 0 168.192 1.072 10 0 biogenic,in-vitro ADAERN CC1(C)[C@H]2C[C@@H]1[C@@H](CO)CC2=O 14505887 560222143 /nfs/dbraw/zinc/22/21/43/560222143.db2.gz ZRBRUAVSMJRQMW-PRJMDXOYSA-N 0 0 168.236 1.230 10 0 in-vitro ADAERN CC(C)C1=CC[C@](C)(O)[C@H](O)C1 14588829 560222588 /nfs/dbraw/zinc/22/25/88/560222588.db2.gz JXEBWOKMCCSZAX-ZJUUUORDSA-N 0 0 170.252 1.475 10 0 biogenic,in-vitro ADAERN CC1=CC[C@](O)(C(C)C)C[C@@H]1O 14588760 560222619 /nfs/dbraw/zinc/22/26/19/560222619.db2.gz MQTSOTIFLOKJLU-VHSXEESVSA-N 0 0 170.252 1.475 10 0 biogenic,in-vitro ADAERN CC1=CC[C@H](C(C)C)[C@@H](O)[C@@H]1O 14588775 560222625 /nfs/dbraw/zinc/22/26/25/560222625.db2.gz IZVTYOJWVVOBBO-OPRDCNLKSA-N 0 0 170.252 1.330 10 0 biogenic,in-vitro ADAERN C=C/C=C(/CO)c1cc(O)ccc1O 14612127 560222910 /nfs/dbraw/zinc/22/29/10/560222910.db2.gz ZUPUPHLFVHTOID-BAQGIRSFSA-N 0 0 192.214 1.660 10 0 in-vitro ADAERN Cc1ccoc1C[C@@H](O)C(C)(C)O 15150831 560228965 /nfs/dbraw/zinc/22/89/65/560228965.db2.gz GVWLWKOBGSTYTA-SECBINFHSA-N 0 0 184.235 1.262 10 0 biogenic,in-vitro ADAERN CC[C@@]1(C)CNC(=S)O1 15205216 560229194 /nfs/dbraw/zinc/22/91/94/560229194.db2.gz GMDUYWRBDHXKMS-LURJTMIESA-N 0 0 145.227 1.060 10 0 biogenic,in-vitro ADAERN CC(C)CCN(c1nnn[n-]1)C1CC1 693680650 1429732801 /nfs/dbraw/zinc/73/28/01/1429732801.db2.gz PZBAMICWDJKIHQ-UHFFFAOYSA-N 0 0 195.270 1.215 10 0 ADAERN CC(C)C[C@@H]([NH2+]C1CC1)c1nnn[n-]1 95206616 1429806467 /nfs/dbraw/zinc/80/64/67/1429806467.db2.gz TZEUVAXQOZGUNX-MRVPVSSYSA-N 0 0 195.270 1.039 10 0 ADAERN c1cc(OC2CC2)ccn1 18859065 1169057817 /nfs/dbraw/zinc/05/78/17/1169057817.db2.gz DCRPKUUWZJPDLZ-UHFFFAOYSA-N 0 0 135.166 1.623 10 0 ADAERN CC(=O)N1CCC[C@@H]2C[C@@H]21 21064973 1169061859 /nfs/dbraw/zinc/06/18/59/1169061859.db2.gz DDAPJEKLWIPMDW-SFYZADRCSA-N 0 0 139.198 1.017 10 0 ADAERN CCc1cnn2cccnc12 24728261 1169062108 /nfs/dbraw/zinc/06/21/08/1169062108.db2.gz LEVPJHCBKJFAEI-UHFFFAOYSA-N 0 0 147.181 1.292 10 0 ADAERN Cc1cnn2cccnc12 26049732 1169062874 /nfs/dbraw/zinc/06/28/74/1169062874.db2.gz IWHCRXIOIHHNHX-UHFFFAOYSA-N 0 0 133.154 1.038 10 0 ADAERN c1cnnc(C2CCC2)c1 23894182 1169063371 /nfs/dbraw/zinc/06/33/71/1169063371.db2.gz RIQDEOLFMWFZLI-UHFFFAOYSA-N 0 0 134.182 1.744 10 0 ADAERN CC(=O)N1CCC[C@H]2C[C@H]21 21064976 1169063485 /nfs/dbraw/zinc/06/34/85/1169063485.db2.gz DDAPJEKLWIPMDW-JGVFFNPUSA-N 0 0 139.198 1.017 10 0 ADAERN Cc1nc(CN(C)C)cs1 26511164 1169063791 /nfs/dbraw/zinc/06/37/91/1169063791.db2.gz CQAXPUYMDSNRNR-UHFFFAOYSA-N 0 0 156.254 1.513 10 0 ADAERN C=Cc1nc(C)cnc1C 32164304 1169064650 /nfs/dbraw/zinc/06/46/50/1169064650.db2.gz JLPZQZIYSREPPU-UHFFFAOYSA-N 0 0 134.182 1.736 10 0 ADAERN O=C1OCC[C@H]1Oc1ccccc1 33800545 1169064973 /nfs/dbraw/zinc/06/49/73/1169064973.db2.gz FZRRWAWIWGYIRQ-SECBINFHSA-N 0 0 178.187 1.381 10 0 ADAERN CC[C@H](C)OC(=O)NC 32165546 1169065039 /nfs/dbraw/zinc/06/50/39/1169065039.db2.gz HIUBXHVDRUPDIY-YFKPBYRVSA-N 0 0 131.175 1.141 10 0 ADAERN CC(C)Oc1ccc(CC(N)=O)cc1 27710529 1169065230 /nfs/dbraw/zinc/06/52/30/1169065230.db2.gz NTASSWZOMHRKQT-UHFFFAOYSA-N 0 0 193.246 1.502 10 0 ADAERN C=Cc1ccn(C)n1 32134601 1169065300 /nfs/dbraw/zinc/06/53/00/1169065300.db2.gz WPRZWOWXBPBJDN-UHFFFAOYSA-N 0 0 108.144 1.063 10 0 ADAERN CCc1nc2cc3c(cc2[nH]1)OCO3 31944007 1169066016 /nfs/dbraw/zinc/06/60/16/1169066016.db2.gz VCXTWCUPDFFGJS-UHFFFAOYSA-N 0 0 190.202 1.854 10 0 ADAERN CC[C@H](C)Nc1cccc[n+]1[O-] 31860725 1169066288 /nfs/dbraw/zinc/06/62/88/1169066288.db2.gz ASADIRGCZYRKMI-QMMMGPOBSA-N 0 0 166.224 1.530 10 0 ADAERN CCOc1cc(CO)cc(CO)c1 32221984 1169066608 /nfs/dbraw/zinc/06/66/08/1169066608.db2.gz IGDXNDNZCMCLOU-UHFFFAOYSA-N 0 0 182.219 1.070 10 0 ADAERN c1coc(-c2cnccn2)c1 32175211 1169066638 /nfs/dbraw/zinc/06/66/38/1169066638.db2.gz XAZULAQXFJZQTJ-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN CC[C@@H](C)Nc1cccc[n+]1[O-] 31860723 1169066712 /nfs/dbraw/zinc/06/67/12/1169066712.db2.gz ASADIRGCZYRKMI-MRVPVSSYSA-N 0 0 166.224 1.530 10 0 ADAERN O=C1OCC[C@@H]1Oc1ccccc1 33800546 1169067016 /nfs/dbraw/zinc/06/70/16/1169067016.db2.gz FZRRWAWIWGYIRQ-VIFPVBQESA-N 0 0 178.187 1.381 10 0 ADAERN C[C@@H]1C=CCCO1 32154329 1169067324 /nfs/dbraw/zinc/06/73/24/1169067324.db2.gz QGXRIEQVMZFYOR-ZCFIWIBFSA-N 0 0 98.145 1.351 10 0 ADAERN CC1(C)C(=O)Nc2cccc(O)c21 32202008 1169067533 /nfs/dbraw/zinc/06/75/33/1169067533.db2.gz ZDLJMUHGWNWHCS-UHFFFAOYSA-N 0 0 177.203 1.622 10 0 ADAERN CC[C@@H](C)OC(=O)NC 32165544 1169067555 /nfs/dbraw/zinc/06/75/55/1169067555.db2.gz HIUBXHVDRUPDIY-RXMQYKEDSA-N 0 0 131.175 1.141 10 0 ADAERN c1ccc(-c2cnc3ncnn3c2)cc1 34180264 1169067928 /nfs/dbraw/zinc/06/79/28/1169067928.db2.gz KALPLZDXYJOPGS-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CCOC(=O)[C@H](C)c1cccnc1 34413888 1169071956 /nfs/dbraw/zinc/07/19/56/1169071956.db2.gz RPEUEJTZHRHZQD-MRVPVSSYSA-N 0 0 179.219 1.748 10 0 ADAERN NC(=O)CCCCCc1cccnc1 34088710 1169068108 /nfs/dbraw/zinc/06/81/08/1169068108.db2.gz DFIHHAIPALBPAW-UHFFFAOYSA-N 0 0 192.262 1.670 10 0 ADAERN COC(=O)CCc1cc(C)ccc1O 34480454 1169072946 /nfs/dbraw/zinc/07/29/46/1169072946.db2.gz AQVKSYNOEHTLSO-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN CCCCOC[C@@H]1COC(=O)O1 34027401 1169068566 /nfs/dbraw/zinc/06/85/66/1169068566.db2.gz UYAXUQISKHVJNR-SSDOTTSWSA-N 0 0 174.196 1.339 10 0 ADAERN C=CC[C@@H]1CCCO1 34108013 1169068995 /nfs/dbraw/zinc/06/89/95/1169068995.db2.gz XZDANOMTLOHFOZ-SSDOTTSWSA-N 0 0 112.172 1.742 10 0 ADAERN O=C1CSCN1c1ccccc1 34170042 1169069028 /nfs/dbraw/zinc/06/90/28/1169069028.db2.gz RRNZCBCXCGGYFL-UHFFFAOYSA-N 0 0 179.244 1.724 10 0 ADAERN CC(=O)C(=O)N(C(C)C)C(C)C 36466511 1169075575 /nfs/dbraw/zinc/07/55/75/1169075575.db2.gz NBGDVAYTFKOQHF-UHFFFAOYSA-N 0 0 171.240 1.221 10 0 ADAERN C=CC[C@H]1CCCO1 34108014 1169069447 /nfs/dbraw/zinc/06/94/47/1169069447.db2.gz XZDANOMTLOHFOZ-ZETCQYMHSA-N 0 0 112.172 1.742 10 0 ADAERN CCCCOC[C@H]1COC(=O)O1 34027402 1169069513 /nfs/dbraw/zinc/06/95/13/1169069513.db2.gz UYAXUQISKHVJNR-ZETCQYMHSA-N 0 0 174.196 1.339 10 0 ADAERN COC(=O)c1[nH]ccc1OC(C)C 34238092 1169069621 /nfs/dbraw/zinc/06/96/21/1169069621.db2.gz YBSFHTSEHZFDIZ-UHFFFAOYSA-N 0 0 183.207 1.589 10 0 ADAERN CSc1ccncn1 33835584 1169069811 /nfs/dbraw/zinc/06/98/11/1169069811.db2.gz JPFCCCDVVRPQQF-UHFFFAOYSA-N 0 0 126.184 1.199 10 0 ADAERN c1cncc(-c2ccc3nncn3n2)c1 34265174 1169069985 /nfs/dbraw/zinc/06/99/85/1169069985.db2.gz GWJBBUIQCPXHGH-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN CCNC(=S)N[C@@H]1C[C@@H]2CC[C@H]1C2 34114997 1169070149 /nfs/dbraw/zinc/07/01/49/1169070149.db2.gz DCOVYUKVQPNBEK-HRDYMLBCSA-N 0 0 198.335 1.659 10 0 ADAERN N#CNc1nc(Cl)nc(Cl)n1 34110748 1169070296 /nfs/dbraw/zinc/07/02/96/1169070296.db2.gz HDPJIGZQNDXIJC-UHFFFAOYSA-N 0 0 189.993 1.071 10 0 ADAERN c1cncc(-c2cccn3cnnc23)c1 34081322 1169070305 /nfs/dbraw/zinc/07/03/05/1169070305.db2.gz AODLIEIMFBFBEZ-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CCCCCOC(=O)C[C@@H](C)O 34300703 1169070893 /nfs/dbraw/zinc/07/08/93/1169070893.db2.gz GNYIQDNGLKBFCP-MRVPVSSYSA-N 0 0 174.240 1.491 10 0 ADAERN CC(C)=CCCOC(=O)[C@H](C)O 34484438 1169071254 /nfs/dbraw/zinc/07/12/54/1169071254.db2.gz AQKZLTPNICHZBL-QMMMGPOBSA-N 0 0 172.224 1.267 10 0 ADAERN COCCCc1c(C)noc1C 34477913 1169071293 /nfs/dbraw/zinc/07/12/93/1169071293.db2.gz FWUYSTXHJKRWCL-UHFFFAOYSA-N 0 0 169.224 1.870 10 0 ADAERN CC[C@H](O)C(=O)OCC(C)(C)C 34479402 1169071378 /nfs/dbraw/zinc/07/13/78/1169071378.db2.gz LERRQBWEKYTEJL-ZETCQYMHSA-N 0 0 174.240 1.347 10 0 ADAERN CN(C)C(=O)c1nc2ccccc2o1 34408450 1169071823 /nfs/dbraw/zinc/07/18/23/1169071823.db2.gz ZSUAIOJWTVCPOY-UHFFFAOYSA-N 0 0 190.202 1.530 10 0 ADAERN CC[C@@H](O)C(=O)OCC(C)(C)C 34479404 1169071971 /nfs/dbraw/zinc/07/19/71/1169071971.db2.gz LERRQBWEKYTEJL-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)[C@@H](C)c1cccnc1 34413886 1169072356 /nfs/dbraw/zinc/07/23/56/1169072356.db2.gz RPEUEJTZHRHZQD-QMMMGPOBSA-N 0 0 179.219 1.748 10 0 ADAERN C[C@@H](O)CC(=O)Oc1ccccc1 34475466 1169072963 /nfs/dbraw/zinc/07/29/63/1169072963.db2.gz MIIQPRIXWCBVMJ-MRVPVSSYSA-N 0 0 180.203 1.363 10 0 ADAERN C=CCCO[C@H](C)CC(=O)OC 35740676 1169073156 /nfs/dbraw/zinc/07/31/56/1169073156.db2.gz QXRQJBLIKKFVRN-MRVPVSSYSA-N 0 0 172.224 1.531 10 0 ADAERN C=CCO[C@H](C)CC(=O)OC 35740664 1169073361 /nfs/dbraw/zinc/07/33/61/1169073361.db2.gz TXAIDVJCIXXYKI-SSDOTTSWSA-N 0 0 158.197 1.141 10 0 ADAERN CC[C@@H](CO)NC(=O)OCC(C)C 35233714 1169073751 /nfs/dbraw/zinc/07/37/51/1169073751.db2.gz RGTLSXJKXUYORZ-QMMMGPOBSA-N 0 0 189.255 1.140 10 0 ADAERN COC(=O)[C@@H](C)COC1CCCC1 36323918 1169074122 /nfs/dbraw/zinc/07/41/22/1169074122.db2.gz NTWUFYXQWMBJRC-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)C[C@@H](C)OC1CCCC1 36323887 1169074212 /nfs/dbraw/zinc/07/42/12/1169074212.db2.gz SWTYUDBHTHTWLD-MRVPVSSYSA-N 0 0 186.251 1.897 10 0 ADAERN Cc1ccc(-c2noc(CO)n2)cc1 36757633 1169074344 /nfs/dbraw/zinc/07/43/44/1169074344.db2.gz SPOPEBUBSIMGGT-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN C#CCOc1cccc(OC(C)=O)c1 36404651 1169074495 /nfs/dbraw/zinc/07/44/95/1169074495.db2.gz FNABYLYAANWTIL-UHFFFAOYSA-N 0 0 190.198 1.624 10 0 ADAERN CC(C)COC(=O)NC(C)(C)CO 35609462 1169074499 /nfs/dbraw/zinc/07/44/99/1169074499.db2.gz GNCDMOZFLVIUQR-UHFFFAOYSA-N 0 0 189.255 1.140 10 0 ADAERN CCCCO[C@H](C)CC(=O)OC 35740860 1169074959 /nfs/dbraw/zinc/07/49/59/1169074959.db2.gz IGBMNEAFWHFVAT-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN COC(=O)C[C@@H](C)OCc1ccco1 35740479 1169075050 /nfs/dbraw/zinc/07/50/50/1169075050.db2.gz XBUNYJRCYSLSFE-MRVPVSSYSA-N 0 0 198.218 1.748 10 0 ADAERN CC[C@H](CO)NC(=O)OCC(C)C 35233715 1169075286 /nfs/dbraw/zinc/07/52/86/1169075286.db2.gz RGTLSXJKXUYORZ-MRVPVSSYSA-N 0 0 189.255 1.140 10 0 ADAERN COC(=O)[C@H](C)COC1CCCC1 36323920 1169075457 /nfs/dbraw/zinc/07/54/57/1169075457.db2.gz NTWUFYXQWMBJRC-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)C[C@@H](C)OCC(C)C 35740509 1169076353 /nfs/dbraw/zinc/07/63/53/1169076353.db2.gz SPJKXTFMMNGCQL-MRVPVSSYSA-N 0 0 174.240 1.611 10 0 ADAERN CCCO[C@H](C)CC(=O)OC 35740854 1169076417 /nfs/dbraw/zinc/07/64/17/1169076417.db2.gz NUVLYHFXIVWRFY-SSDOTTSWSA-N 0 0 160.213 1.365 10 0 ADAERN COC(=O)C[C@@H](C)OCC1CC1 35740555 1169076381 /nfs/dbraw/zinc/07/63/81/1169076381.db2.gz WZZYHGFFPLMQTQ-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN C#CCc1c(OC)cccc1OC 36436973 1169076491 /nfs/dbraw/zinc/07/64/91/1169076491.db2.gz FTLRFHQAPZWKJC-UHFFFAOYSA-N 0 0 176.215 1.880 10 0 ADAERN CC[C@H](C)N[C@H](CC)C(=O)OC 38067233 1169078835 /nfs/dbraw/zinc/07/88/35/1169078835.db2.gz UVHTYOLJOHAWCP-JGVFFNPUSA-N 0 0 173.256 1.326 10 0 ADAERN O=C1c2ccccc2[C@]2(O)CCCN12 38292955 1169077387 /nfs/dbraw/zinc/07/73/87/1169077387.db2.gz AEEWRCLMCFNCEL-LLVKDONJSA-N 0 0 189.214 1.081 10 0 ADAERN CC[C@H](C)NC1(C(=O)OC)CCCC1 38067009 1169077584 /nfs/dbraw/zinc/07/75/84/1169077584.db2.gz JPZMCULUNOXZTD-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN CCOC(=O)C(C)(C)N[C@H](C)CC 38067412 1169077684 /nfs/dbraw/zinc/07/76/84/1169077684.db2.gz XAXBIRKFECWFDX-MRVPVSSYSA-N 0 0 187.283 1.716 10 0 ADAERN CCOC(=O)[C@@H](CC)N[C@@H](C)CC 38067911 1169077889 /nfs/dbraw/zinc/07/78/89/1169077889.db2.gz GEKQWDWCLRYIOI-DTWKUNHWSA-N 0 0 187.283 1.716 10 0 ADAERN Cc1ccc(N)c(-c2cnn(C)c2)c1 38069389 1169078318 /nfs/dbraw/zinc/07/83/18/1169078318.db2.gz BJOTZTNGBIPTIU-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC[C@H](N[C@H](C)CC)C(=O)OC 38067230 1169078349 /nfs/dbraw/zinc/07/83/49/1169078349.db2.gz UVHTYOLJOHAWCP-SFYZADRCSA-N 0 0 173.256 1.326 10 0 ADAERN CC[C@@H](C)N[C@H](CC)C(=O)OC 38067232 1169078663 /nfs/dbraw/zinc/07/86/63/1169078663.db2.gz UVHTYOLJOHAWCP-HTQZYQBOSA-N 0 0 173.256 1.326 10 0 ADAERN CCOC(=O)[C@H](CC)N[C@@H](C)CC 38067909 1169079236 /nfs/dbraw/zinc/07/92/36/1169079236.db2.gz GEKQWDWCLRYIOI-IUCAKERBSA-N 0 0 187.283 1.716 10 0 ADAERN CC[C@H](C)N[C@@H](CC)C(=O)OC 38067231 1169079445 /nfs/dbraw/zinc/07/94/45/1169079445.db2.gz UVHTYOLJOHAWCP-YUMQZZPRSA-N 0 0 173.256 1.326 10 0 ADAERN c1ccc(COC[C@@H]2CCO2)cc1 38220594 1169079379 /nfs/dbraw/zinc/07/93/79/1169079379.db2.gz LMLDXXXZBRCPIP-NSHDSACASA-N 0 0 178.231 1.992 10 0 ADAERN O=C1c2ccccc2[C@@]2(O)CCCN12 38292954 1169079632 /nfs/dbraw/zinc/07/96/32/1169079632.db2.gz AEEWRCLMCFNCEL-NSHDSACASA-N 0 0 189.214 1.081 10 0 ADAERN C=CC(=O)NCCCC(C)C 38093707 1169079652 /nfs/dbraw/zinc/07/96/52/1169079652.db2.gz CVXFWFNFQJHANL-UHFFFAOYSA-N 0 0 155.241 1.725 10 0 ADAERN COC(=O)c1cc2c(o1)CCCC2 38312410 1169079664 /nfs/dbraw/zinc/07/96/64/1169079664.db2.gz ICRXFAUWTOBRDZ-UHFFFAOYSA-N 0 0 180.203 1.945 10 0 ADAERN CCC[C@H](N[C@H](C)CC)C(=O)OC 38067236 1169079723 /nfs/dbraw/zinc/07/97/23/1169079723.db2.gz UUSYILDLACRLLC-BDAKNGLRSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@H](N[C@@H](C)CC)C(=O)OC 38067234 1169080080 /nfs/dbraw/zinc/08/00/80/1169080080.db2.gz UUSYILDLACRLLC-IUCAKERBSA-N 0 0 187.283 1.716 10 0 ADAERN CCOC(=O)[C@H](CC)N[C@H](C)CC 38067908 1169080437 /nfs/dbraw/zinc/08/04/37/1169080437.db2.gz GEKQWDWCLRYIOI-BDAKNGLRSA-N 0 0 187.283 1.716 10 0 ADAERN CC[C@@H](C)NC1(C(=O)OC)CCCC1 38067008 1169080753 /nfs/dbraw/zinc/08/07/53/1169080753.db2.gz JPZMCULUNOXZTD-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN CCOC(=O)C(C)(C)N[C@@H](C)CC 38067413 1169080714 /nfs/dbraw/zinc/08/07/14/1169080714.db2.gz XAXBIRKFECWFDX-QMMMGPOBSA-N 0 0 187.283 1.716 10 0 ADAERN CCOC(=O)[C@@H](CC)N[C@H](C)CC 38067910 1169080836 /nfs/dbraw/zinc/08/08/36/1169080836.db2.gz GEKQWDWCLRYIOI-RKDXNWHRSA-N 0 0 187.283 1.716 10 0 ADAERN C=CC(=O)NCCc1ccco1 38059567 1169081063 /nfs/dbraw/zinc/08/10/63/1169081063.db2.gz DMYVHGSLUPOOJO-UHFFFAOYSA-N 0 0 165.192 1.124 10 0 ADAERN CC(=O)O[C@H](C)Cc1ccno1 39113323 1169081946 /nfs/dbraw/zinc/08/19/46/1169081946.db2.gz LXPZUOPBSDDUBM-ZCFIWIBFSA-N 0 0 169.180 1.169 10 0 ADAERN COC(=O)[C@@H](C)Oc1ccccc1O 39149003 1169082000 /nfs/dbraw/zinc/08/20/00/1169082000.db2.gz YOSMWHNZHJXFFW-SSDOTTSWSA-N 0 0 196.202 1.333 10 0 ADAERN C[C@@H](O)CC(=O)OCC(C)(C)C 39017616 1169082374 /nfs/dbraw/zinc/08/23/74/1169082374.db2.gz ZVRWXKCBOLAVEB-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN Cc1cc(C(C)C)n(C)n1 39115745 1169082757 /nfs/dbraw/zinc/08/27/57/1169082757.db2.gz VGIPFSZAJPAOPJ-UHFFFAOYSA-N 0 0 138.214 1.852 10 0 ADAERN Cc1nn(C)c2ccccc12 38888812 1169082977 /nfs/dbraw/zinc/08/29/77/1169082977.db2.gz KEBBJRHTOMKVKH-UHFFFAOYSA-N 0 0 146.193 1.882 10 0 ADAERN CC[C@@H](C)O[C@@H](C)C(C)=O 39069329 1169083069 /nfs/dbraw/zinc/08/30/69/1169083069.db2.gz UEEUFZDGVWPNMM-SVRRBLITSA-N 0 0 144.214 1.779 10 0 ADAERN CC[C@@H](C)O[C@H](C)C(C)=O 39069331 1169083173 /nfs/dbraw/zinc/08/31/73/1169083173.db2.gz UEEUFZDGVWPNMM-HTRCEHHLSA-N 0 0 144.214 1.779 10 0 ADAERN CCN(OC)C(=O)c1ccccc1 39257832 1169083312 /nfs/dbraw/zinc/08/33/12/1169083312.db2.gz HSXWWZFUUHIHIE-UHFFFAOYSA-N 0 0 179.219 1.710 10 0 ADAERN CC(=O)O[C@@H](C)Cc1ccno1 39113322 1169083855 /nfs/dbraw/zinc/08/38/55/1169083855.db2.gz LXPZUOPBSDDUBM-LURJTMIESA-N 0 0 169.180 1.169 10 0 ADAERN COCc1ccnc(SC)n1 38416028 1169083928 /nfs/dbraw/zinc/08/39/28/1169083928.db2.gz QHEAYFATNDQOKX-UHFFFAOYSA-N 0 0 170.237 1.345 10 0 ADAERN CC[C@H](C)O[C@H](C)C(C)=O 39069332 1169084135 /nfs/dbraw/zinc/08/41/35/1169084135.db2.gz UEEUFZDGVWPNMM-POYBYMJQSA-N 0 0 144.214 1.779 10 0 ADAERN CC[C@H](C)O[C@@H](C)C(C)=O 39069330 1169084372 /nfs/dbraw/zinc/08/43/72/1169084372.db2.gz UEEUFZDGVWPNMM-XPUUQOCRSA-N 0 0 144.214 1.779 10 0 ADAERN COCCCc1ccccc1N 39191591 1169085020 /nfs/dbraw/zinc/08/50/20/1169085020.db2.gz UVZWJYTXBPEOKQ-UHFFFAOYSA-N 0 0 165.236 1.848 10 0 ADAERN COC(=O)NC(C)(C)CC(C)=O 39215784 1169085100 /nfs/dbraw/zinc/08/51/00/1169085100.db2.gz YDOZVMOCSOUIFL-UHFFFAOYSA-N 0 0 173.212 1.100 10 0 ADAERN COC(=O)Nc1cc(O)ccc1F 39128734 1169085249 /nfs/dbraw/zinc/08/52/49/1169085249.db2.gz AIDJCDOXMGSOQC-UHFFFAOYSA-N 0 0 185.154 1.710 10 0 ADAERN CC(C)Oc1cc(O)cc(O)c1 39291076 1169085781 /nfs/dbraw/zinc/08/57/81/1169085781.db2.gz VSPQBBRXBYKVIS-UHFFFAOYSA-N 0 0 168.192 1.885 10 0 ADAERN Cc1nc2ccccc2nc1NC#N 39285911 1169085793 /nfs/dbraw/zinc/08/57/93/1169085793.db2.gz RABPHLDJPFIORV-UHFFFAOYSA-N 0 0 184.202 1.831 10 0 ADAERN CC/C=C/C(C)(C)O 39347446 1169085825 /nfs/dbraw/zinc/08/58/25/1169085825.db2.gz ITIFCBAIIXZGGT-AATRIKPKSA-N 0 0 114.188 1.724 10 0 ADAERN CC[C@H](C)c1ccc(=O)[nH]c1 39644048 1169086537 /nfs/dbraw/zinc/08/65/37/1169086537.db2.gz URJCXXHOPXMGRM-ZETCQYMHSA-N 0 0 151.209 1.888 10 0 ADAERN CC(C)OCCC1OCCO1 39416227 1169086569 /nfs/dbraw/zinc/08/65/69/1169086569.db2.gz ANWQGLAJVYTUGN-UHFFFAOYSA-N 0 0 160.213 1.174 10 0 ADAERN COC(=O)COC1CCCCCC1 40227695 1169086685 /nfs/dbraw/zinc/08/66/85/1169086685.db2.gz RKESUMCBLSJZGA-UHFFFAOYSA-N 0 0 186.251 1.899 10 0 ADAERN Cn1cc(-c2ccccc2)ncc1=O 39260809 1169087293 /nfs/dbraw/zinc/08/72/93/1169087293.db2.gz NCDWUKVINDQPCI-UHFFFAOYSA-N 0 0 186.214 1.447 10 0 ADAERN C/C=C(\C)CC(=O)OC 39393973 1169088022 /nfs/dbraw/zinc/08/80/22/1169088022.db2.gz OUARJKDCCMXOEF-GQCTYLIASA-N 0 0 128.171 1.516 10 0 ADAERN CC(C)Oc1ccc2n[nH]nc2c1 40538876 1169088838 /nfs/dbraw/zinc/08/88/38/1169088838.db2.gz DPMXIYONESYTLT-UHFFFAOYSA-N 0 0 177.207 1.745 10 0 ADAERN CN(C)c1nccc2ncccc12 40539553 1169089184 /nfs/dbraw/zinc/08/91/84/1169089184.db2.gz USYKTPOOTOGDPL-UHFFFAOYSA-N 0 0 173.219 1.696 10 0 ADAERN CC(C)NS(=O)(=O)C1CCCC1 40642716 1169089269 /nfs/dbraw/zinc/08/92/69/1169089269.db2.gz PQYCLLBBIYGNMV-UHFFFAOYSA-N 0 0 191.296 1.257 10 0 ADAERN O=S(=O)(NC1CC1)C1CCCC1 40642717 1169089344 /nfs/dbraw/zinc/08/93/44/1169089344.db2.gz BBEJZDMQVHMZKN-UHFFFAOYSA-N 0 0 189.280 1.011 10 0 ADAERN CCCSCCOC 41366497 1169089914 /nfs/dbraw/zinc/08/99/14/1169089914.db2.gz UUJJWEFIDZSODC-UHFFFAOYSA-N 0 0 134.244 1.776 10 0 ADAERN Cc1cc(N)ccc1C(=O)NC1CC1 44748016 1169090616 /nfs/dbraw/zinc/09/06/16/1169090616.db2.gz ICBKRDBFTGGVDM-UHFFFAOYSA-N 0 0 190.246 1.469 10 0 ADAERN COC(=O)C[C@@H](C)OC(C)C 48033012 1169091019 /nfs/dbraw/zinc/09/10/19/1169091019.db2.gz MHJKCEQCZKULQC-SSDOTTSWSA-N 0 0 160.213 1.363 10 0 ADAERN COC(=O)[C@@H](C)COC1CCC1 50518972 1169091785 /nfs/dbraw/zinc/09/17/85/1169091785.db2.gz ANRLLQAIVRRGBQ-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN CCCNc1ncnc(C)c1C 50864391 1169091825 /nfs/dbraw/zinc/09/18/25/1169091825.db2.gz XRBFUWAUJSXYKL-UHFFFAOYSA-N 0 0 165.240 1.915 10 0 ADAERN Cc1cccnc1NC1CCOCC1 51040945 1169091896 /nfs/dbraw/zinc/09/18/96/1169091896.db2.gz OXHQOOOIWFJUPV-UHFFFAOYSA-N 0 0 192.262 1.981 10 0 ADAERN C/C=C/CO[C@H](C)C(=O)OC 51173541 1169092378 /nfs/dbraw/zinc/09/23/78/1169092378.db2.gz SSTRGRRANXIRLX-SMMXGFFBSA-N 0 0 158.197 1.141 10 0 ADAERN Cc1cc(-c2ccc(N)nn2)c(C)o1 50867745 1169092481 /nfs/dbraw/zinc/09/24/81/1169092481.db2.gz MGTMCQRSQLYKBC-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN C/C=C/CO[C@H](C)CC(=O)OCC 51173609 1169092544 /nfs/dbraw/zinc/09/25/44/1169092544.db2.gz RFSAATJLJNQSMX-OTQAPUNGSA-N 0 0 186.251 1.921 10 0 ADAERN COC(=O)[C@H](C)COC1CCC1 50518973 1169092601 /nfs/dbraw/zinc/09/26/01/1169092601.db2.gz ANRLLQAIVRRGBQ-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN C/C=C/CO[C@H](C)CC(=O)OC 51173587 1169093314 /nfs/dbraw/zinc/09/33/14/1169093314.db2.gz KCNSNVWONZAAAN-WTSVBCDHSA-N 0 0 172.224 1.531 10 0 ADAERN Nc1ccc(COCC2CC2)cn1 50832583 1169093350 /nfs/dbraw/zinc/09/33/50/1169093350.db2.gz MVRLXGIKFICLAH-UHFFFAOYSA-N 0 0 178.235 1.590 10 0 ADAERN CCCNc1cccc(C(=O)NC)n1 51069275 1169093367 /nfs/dbraw/zinc/09/33/67/1169093367.db2.gz NXQSJBAJBSEALD-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CCNc1ncnc(C)c1C 50864286 1169093435 /nfs/dbraw/zinc/09/34/35/1169093435.db2.gz GJSROGJZOUZZKQ-UHFFFAOYSA-N 0 0 151.213 1.525 10 0 ADAERN CCC(=O)Cc1cnn(CC)c1 50541846 1169093536 /nfs/dbraw/zinc/09/35/36/1169093536.db2.gz VRSOIYUOQZXQRJ-UHFFFAOYSA-N 0 0 166.224 1.425 10 0 ADAERN Nc1cc2c(nn1)-c1ccccc1OC2 54931009 1169093753 /nfs/dbraw/zinc/09/37/53/1169093753.db2.gz KAOSTKQOYWLOQA-UHFFFAOYSA-N 0 0 199.213 1.618 10 0 ADAERN CCOCCc1ccc(O)cc1 79753076 1169102703 /nfs/dbraw/zinc/10/27/03/1169102703.db2.gz PVJBTJCXIGHIAO-UHFFFAOYSA-N 0 0 166.220 1.971 10 0 ADAERN c1ccc(COC2COCOC2)cc1 60166514 1169097777 /nfs/dbraw/zinc/09/77/77/1169097777.db2.gz UAESGIBOJCAHQP-UHFFFAOYSA-N 0 0 194.230 1.576 10 0 ADAERN CC[C@H](C)NC(=O)NCC(F)(F)F 59942311 1169097909 /nfs/dbraw/zinc/09/79/09/1169097909.db2.gz FKNNZZODOIJVMQ-YFKPBYRVSA-N 0 0 198.188 1.646 10 0 ADAERN COc1cc(N)n(-c2ccccc2)n1 59900867 1169098117 /nfs/dbraw/zinc/09/81/17/1169098117.db2.gz CZCGGAOOGDSGIK-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN c1ccc(Cc2ncc[nH]2)nc1 59979575 1169098269 /nfs/dbraw/zinc/09/82/69/1169098269.db2.gz SQEUYNQLUMQWKJ-UHFFFAOYSA-N 0 0 159.192 1.396 10 0 ADAERN CCCCOC(=O)N1CCC(=O)C1 59716640 1169098459 /nfs/dbraw/zinc/09/84/59/1169098459.db2.gz CJNFWCJBDXJLQW-UHFFFAOYSA-N 0 0 185.223 1.198 10 0 ADAERN CCCCNC(=O)NCC(F)(F)F 59942309 1169099006 /nfs/dbraw/zinc/09/90/06/1169099006.db2.gz WLLPZEVOIAWBHQ-UHFFFAOYSA-N 0 0 198.188 1.648 10 0 ADAERN CO/C(=C/c1ccccc1)C(N)=O 59868856 1169099048 /nfs/dbraw/zinc/09/90/48/1169099048.db2.gz COFAUHKRVYHZDW-VQHVLOKHSA-N 0 0 177.203 1.159 10 0 ADAERN CC[C@@H](C)NC(=O)NCC(F)(F)F 59942310 1169099235 /nfs/dbraw/zinc/09/92/35/1169099235.db2.gz FKNNZZODOIJVMQ-RXMQYKEDSA-N 0 0 198.188 1.646 10 0 ADAERN CC(C)(C)NC(=O)NCC(F)(F)F 59942312 1169099433 /nfs/dbraw/zinc/09/94/33/1169099433.db2.gz JGBGIKIFWMZWBL-UHFFFAOYSA-N 0 0 198.188 1.646 10 0 ADAERN CCCCOC(=O)NCCC 60151623 1169099828 /nfs/dbraw/zinc/09/98/28/1169099828.db2.gz USDWDNIMFQHPMA-UHFFFAOYSA-N 0 0 159.229 1.923 10 0 ADAERN CCc1cccc(S(C)(=O)=O)c1 60105279 1169099934 /nfs/dbraw/zinc/09/99/34/1169099934.db2.gz RVLJXOPJFBGOBZ-UHFFFAOYSA-N 0 0 184.260 1.653 10 0 ADAERN CC(=O)CNC(=O)Oc1ccccc1 60253697 1169100312 /nfs/dbraw/zinc/10/03/12/1169100312.db2.gz HVJLCLCPTLDOOM-UHFFFAOYSA-N 0 0 193.202 1.364 10 0 ADAERN CCCNC(=O)NCC(F)(F)F 59942306 1169100571 /nfs/dbraw/zinc/10/05/71/1169100571.db2.gz NOCAZCHPKYJOGC-UHFFFAOYSA-N 0 0 184.161 1.258 10 0 ADAERN CC(C)OC1CCC1 79124330 1169102673 /nfs/dbraw/zinc/10/26/73/1169102673.db2.gz AWHVHVGHMQLOFG-UHFFFAOYSA-N 0 0 114.188 1.964 10 0 ADAERN CCC(CC)OCCO 79924513 1169102687 /nfs/dbraw/zinc/10/26/87/1169102687.db2.gz MZXGXWPUTAHLFU-UHFFFAOYSA-N 0 0 132.203 1.184 10 0 ADAERN c1ccc2[nH]c(-c3cn[nH]n3)nc2c1 79789022 1169102994 /nfs/dbraw/zinc/10/29/94/1169102994.db2.gz NLOXYFLUIXGLPW-UHFFFAOYSA-N 0 0 185.190 1.348 10 0 ADAERN COc1cc(OC(C)=O)ccc1C=O 79407632 1169103154 /nfs/dbraw/zinc/10/31/54/1169103154.db2.gz PPIOKNUCIBXREP-UHFFFAOYSA-N 0 0 194.186 1.433 10 0 ADAERN CCCOC[C@H](C)OC[C@@H](C)OC 79109086 1169103337 /nfs/dbraw/zinc/10/33/37/1169103337.db2.gz RZXAHVCTRLTLNA-ZJUUUORDSA-N 0 0 190.283 1.853 10 0 ADAERN CCCOC[C@@H](C)OC[C@@H](C)OC 79109082 1169103367 /nfs/dbraw/zinc/10/33/67/1169103367.db2.gz RZXAHVCTRLTLNA-NXEZZACHSA-N 0 0 190.283 1.853 10 0 ADAERN CCCc1cc(C)nn1C 79455594 1169104054 /nfs/dbraw/zinc/10/40/54/1169104054.db2.gz XGMNLFBEBFSNIM-UHFFFAOYSA-N 0 0 138.214 1.681 10 0 ADAERN CCCOC[C@@H](C)OC[C@H](C)OC 79109089 1169104088 /nfs/dbraw/zinc/10/40/88/1169104088.db2.gz RZXAHVCTRLTLNA-VHSXEESVSA-N 0 0 190.283 1.853 10 0 ADAERN CCCOC[C@H](C)OC[C@H](C)OC 79109092 1169104204 /nfs/dbraw/zinc/10/42/04/1169104204.db2.gz RZXAHVCTRLTLNA-UWVGGRQHSA-N 0 0 190.283 1.853 10 0 ADAERN CC[C@@H](C)CNS(=O)(=O)C(C)C 81570461 1169105360 /nfs/dbraw/zinc/10/53/60/1169105360.db2.gz KAIMMQITDFXUHK-MRVPVSSYSA-N 0 0 193.312 1.360 10 0 ADAERN CCCS(=O)(=O)N[C@H]1CC1(C)C 81572215 1169105558 /nfs/dbraw/zinc/10/55/58/1169105558.db2.gz XTIGVRWIPXDGDX-ZETCQYMHSA-N 0 0 191.296 1.114 10 0 ADAERN C/C=C/C=C\C(=O)NCC 80774399 1169105776 /nfs/dbraw/zinc/10/57/76/1169105776.db2.gz FZNCPAQPZYDRKC-WZWXSLMZSA-N 0 0 139.198 1.255 10 0 ADAERN CCCC[C@@H](C)NS(=O)(=O)CC 81570305 1169105855 /nfs/dbraw/zinc/10/58/55/1169105855.db2.gz DPQZZBWUCPBEIF-MRVPVSSYSA-N 0 0 193.312 1.504 10 0 ADAERN CC[C@H](C)CNS(=O)(=O)C(C)C 81570464 1169106048 /nfs/dbraw/zinc/10/60/48/1169106048.db2.gz KAIMMQITDFXUHK-QMMMGPOBSA-N 0 0 193.312 1.360 10 0 ADAERN CCCCCOC(=O)[C@@H](O)CC 82122467 1169106438 /nfs/dbraw/zinc/10/64/38/1169106438.db2.gz INKDEHIVVRNUKO-QMMMGPOBSA-N 0 0 174.240 1.491 10 0 ADAERN CC(=O)OCC(C)(C)n1ccnc1 82122163 1169106588 /nfs/dbraw/zinc/10/65/88/1169106588.db2.gz YNXZFDLKYVKMRF-UHFFFAOYSA-N 0 0 182.223 1.181 10 0 ADAERN c1cc(C2CC2)cnn1 82034800 1169106637 /nfs/dbraw/zinc/10/66/37/1169106637.db2.gz GMLZWETWPCOSLC-UHFFFAOYSA-N 0 0 120.155 1.354 10 0 ADAERN Fc1ncccc1-c1cn[nH]c1 82041330 1169106648 /nfs/dbraw/zinc/10/66/48/1169106648.db2.gz LHNMRZJUFJDCOD-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN CCCC[C@@H](C)NS(C)(=O)=O 81570314 1169106684 /nfs/dbraw/zinc/10/66/84/1169106684.db2.gz MVWGTYOKOKXSJD-SSDOTTSWSA-N 0 0 179.285 1.114 10 0 ADAERN CCCCCOC(=O)[C@H](O)CC 82122466 1169106717 /nfs/dbraw/zinc/10/67/17/1169106717.db2.gz INKDEHIVVRNUKO-MRVPVSSYSA-N 0 0 174.240 1.491 10 0 ADAERN CO[C@H](C)C(F)(F)F 81915122 1169107005 /nfs/dbraw/zinc/10/70/05/1169107005.db2.gz KVRDTYTVCCKIMF-GSVOUGTGSA-N 0 0 128.093 1.584 10 0 ADAERN COCCc1ccc(OC)c(OC)c1 80865827 1169107184 /nfs/dbraw/zinc/10/71/84/1169107184.db2.gz HSWVACBDFHBBQF-UHFFFAOYSA-N 0 0 196.246 1.893 10 0 ADAERN CCCS(=O)(=O)NC[C@H](C)CC 81570496 1169107195 /nfs/dbraw/zinc/10/71/95/1169107195.db2.gz YRQRHCARDOTABF-MRVPVSSYSA-N 0 0 193.312 1.362 10 0 ADAERN CCCS(=O)(=O)NC[C@@H](C)CC 81570489 1169107668 /nfs/dbraw/zinc/10/76/68/1169107668.db2.gz YRQRHCARDOTABF-QMMMGPOBSA-N 0 0 193.312 1.362 10 0 ADAERN NC(=O)c1ccccc1-c1ccncc1 82131631 1169107874 /nfs/dbraw/zinc/10/78/74/1169107874.db2.gz FEZXAARIHJJMMT-UHFFFAOYSA-N 0 0 198.225 1.848 10 0 ADAERN C#CCc1cnc(C)s1 82006354 1169107882 /nfs/dbraw/zinc/10/78/82/1169107882.db2.gz HANWNYSLOQIYCW-UHFFFAOYSA-N 0 0 137.207 1.627 10 0 ADAERN CO[C@@H](C)C(F)(F)F 81915133 1169107896 /nfs/dbraw/zinc/10/78/96/1169107896.db2.gz KVRDTYTVCCKIMF-VKHMYHEASA-N 0 0 128.093 1.584 10 0 ADAERN Nc1cncc(-c2cnoc2)c1 82405140 1169108617 /nfs/dbraw/zinc/10/86/17/1169108617.db2.gz USWDISKBURBXMB-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Cc1ncc(-c2cccnc2N)cn1 82392324 1169108891 /nfs/dbraw/zinc/10/88/91/1169108891.db2.gz NJXZMSFMWDAMFN-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1cnccc1-c1cnoc1 82405157 1169108934 /nfs/dbraw/zinc/10/89/34/1169108934.db2.gz VEURXKWXVZRFTM-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN COc1cc(C2CC2)ccn1 82408616 1169109118 /nfs/dbraw/zinc/10/91/18/1169109118.db2.gz BNAPJNHKQDLDCH-UHFFFAOYSA-N 0 0 149.193 1.968 10 0 ADAERN Cc1ncncc1-c1cccnc1N 82392323 1169109139 /nfs/dbraw/zinc/10/91/39/1169109139.db2.gz ONEPYUGAGOGLFC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ncc(-c2ccnc(N)c2)cn1 82392326 1169109181 /nfs/dbraw/zinc/10/91/81/1169109181.db2.gz NYGALVXPTNPTOJ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1ccc(-c2cnoc2)cn1 82405182 1169109393 /nfs/dbraw/zinc/10/93/93/1169109393.db2.gz WGXAVULSBUSFSU-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Cn1ccc(-c2ccncc2N)n1 82399383 1169109399 /nfs/dbraw/zinc/10/93/99/1169109399.db2.gz LSJKWNHIXRECPP-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Nc1cccc(-c2cnoc2)n1 82405177 1169109485 /nfs/dbraw/zinc/10/94/85/1169109485.db2.gz GAZLGDWRJNFAKP-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cncc(CC(F)(F)F)c1 82398941 1169109553 /nfs/dbraw/zinc/10/95/53/1169109553.db2.gz WDCVDBLWJJMOCL-UHFFFAOYSA-N 0 0 176.141 1.769 10 0 ADAERN Nc1cccnc1-c1cncs1 82398274 1169109940 /nfs/dbraw/zinc/10/99/40/1169109940.db2.gz ORVKXPOVRQWSIQ-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1ncc(-c2ncccc2N)cn1 82392322 1169110004 /nfs/dbraw/zinc/11/00/04/1169110004.db2.gz BSVNRDYKNYQUID-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1ccc(-c2cncs2)nc1 82398272 1169110008 /nfs/dbraw/zinc/11/00/08/1169110008.db2.gz RTKXGQMDMXUMSC-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnccc1-c1cncs1 82398278 1169110084 /nfs/dbraw/zinc/11/00/84/1169110084.db2.gz ZEJJBFOHCPHPCR-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ncccc1-c1cnoc1 82405151 1169110110 /nfs/dbraw/zinc/11/01/10/1169110110.db2.gz KHGWAHDLYGSLEO-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Cn1ccc(-c2ncccc2N)n1 82399379 1169110144 /nfs/dbraw/zinc/11/01/44/1169110144.db2.gz KUCFEUGKLOGCBD-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cc1ncc(-c2ccncc2N)cn1 82392328 1169110150 /nfs/dbraw/zinc/11/01/50/1169110150.db2.gz BCZVKWOWBQEFJX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1ncccc1-c1cncs1 82398275 1169110184 /nfs/dbraw/zinc/11/01/84/1169110184.db2.gz PXKMJLHGSGJWEU-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cn1ccc(-c2ccc(N)cn2)n1 82399378 1169110250 /nfs/dbraw/zinc/11/02/50/1169110250.db2.gz DZDJBLACDFIIJG-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cc1ncc(-c2cncc(N)c2)cn1 82392319 1169110337 /nfs/dbraw/zinc/11/03/37/1169110337.db2.gz SZCIATAKVOYKKA-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1cccnc1-c1cnoc1 82405149 1169110473 /nfs/dbraw/zinc/11/04/73/1169110473.db2.gz COHYOAKLGRBRLA-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cc(-c2cnoc2)ccn1 82405153 1169110485 /nfs/dbraw/zinc/11/04/85/1169110485.db2.gz FNSQDKFEKUBXLZ-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cc(-c2nccs2)ccn1 82398277 1169110611 /nfs/dbraw/zinc/11/06/11/1169110611.db2.gz NMLZYQKQEXGBCR-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc(-c2cnoc2)nc1 82405146 1169110733 /nfs/dbraw/zinc/11/07/33/1169110733.db2.gz CFMWFMFCHZSWIR-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Cc1ncncc1-c1ccnc(N)c1 82392325 1169110882 /nfs/dbraw/zinc/11/08/82/1169110882.db2.gz WPZNAIVIVKSQRG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1cccnc1-c1nccs1 82398273 1169110943 /nfs/dbraw/zinc/11/09/43/1169110943.db2.gz GZCRGUMZLGERHS-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cc(-c2cncs2)ccn1 82398276 1169110988 /nfs/dbraw/zinc/11/09/88/1169110988.db2.gz KUTFASDHOBMXJV-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1ncncc1-c1cncc(N)c1 82392318 1169111021 /nfs/dbraw/zinc/11/10/21/1169111021.db2.gz INRZWAKSCMPZOJ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCC[C@@H](N)c1nnc(C)o1 83339970 1169112175 /nfs/dbraw/zinc/11/21/75/1169112175.db2.gz YMYKYCZCXPNIOL-SSDOTTSWSA-N 0 0 169.228 1.568 10 0 ADAERN CCC[C@@H](N)c1nnc(CC)o1 83339968 1169112632 /nfs/dbraw/zinc/11/26/32/1169112632.db2.gz LCIMQWVUZSRTNN-ZCFIWIBFSA-N 0 0 169.228 1.432 10 0 ADAERN CCCC[C@H](N)c1nnc(CC)o1 83340847 1169112888 /nfs/dbraw/zinc/11/28/88/1169112888.db2.gz NBFXZHSZCPSDTB-ZETCQYMHSA-N 0 0 183.255 1.822 10 0 ADAERN Cc1nnc([C@@H](N)C2CCCC2)o1 83340593 1169112901 /nfs/dbraw/zinc/11/29/01/1169112901.db2.gz HASCMBRWSMDCFX-QMMMGPOBSA-N 0 0 181.239 1.568 10 0 ADAERN CCc1nnc([C@@H](N)[C@@H](C)CC)o1 83340849 1169113071 /nfs/dbraw/zinc/11/30/71/1169113071.db2.gz QNWKPRCUUCJEBD-XPUUQOCRSA-N 0 0 183.255 1.678 10 0 ADAERN CCc1nnc([C@H](N)C(C)(C)C)o1 83340851 1169113171 /nfs/dbraw/zinc/11/31/71/1169113171.db2.gz WLVITPWHVYQAOX-ZETCQYMHSA-N 0 0 183.255 1.678 10 0 ADAERN CCc1nnc([C@@H](N)C2CCCC2)o1 83342343 1169113676 /nfs/dbraw/zinc/11/36/76/1169113676.db2.gz METFVWLXQRQFEP-VIFPVBQESA-N 0 0 195.266 1.822 10 0 ADAERN CCC[C@@H](N)c1nnc(C2CC2)o1 83340600 1169113697 /nfs/dbraw/zinc/11/36/97/1169113697.db2.gz UBDLZCFYJLSBQI-SSDOTTSWSA-N 0 0 181.239 1.747 10 0 ADAERN Cc1nnc([C@@H](N)C2CCCCC2)o1 83342349 1169114030 /nfs/dbraw/zinc/11/40/30/1169114030.db2.gz ONWUGJTVNHSLCO-VIFPVBQESA-N 0 0 195.266 1.958 10 0 ADAERN CC(C)[C@H](N)c1nnc(C2CCC2)o1 83342369 1169114094 /nfs/dbraw/zinc/11/40/94/1169114094.db2.gz CHHUWZUNXNGECG-QMMMGPOBSA-N 0 0 195.266 1.993 10 0 ADAERN CC[C@H](C)[C@H](N)c1nnc(C)o1 83339971 1169114104 /nfs/dbraw/zinc/11/41/04/1169114104.db2.gz QGJPHRBVGYZZBQ-FSPLSTOPSA-N 0 0 169.228 1.424 10 0 ADAERN CC[C@H](C)[C@H](N)c1nnc(C2CC2)o1 83342363 1169114124 /nfs/dbraw/zinc/11/41/24/1169114124.db2.gz XLXCRLNFULENBC-XPUUQOCRSA-N 0 0 195.266 1.993 10 0 ADAERN Cc1nnc(C2([NH3+])CCCC2)o1 82852897 1169114204 /nfs/dbraw/zinc/11/42/04/1169114204.db2.gz HJWKTNCOPHTMCC-UHFFFAOYSA-N 0 0 167.212 1.106 10 0 ADAERN CCCC[C@@H](N)c1nnc(CC)o1 83340848 1169114510 /nfs/dbraw/zinc/11/45/10/1169114510.db2.gz NBFXZHSZCPSDTB-SSDOTTSWSA-N 0 0 183.255 1.822 10 0 ADAERN CCCC[C@H](N)c1nnc(C)o1 83339969 1169114536 /nfs/dbraw/zinc/11/45/36/1169114536.db2.gz YMYKYCZCXPNIOL-ZETCQYMHSA-N 0 0 169.228 1.568 10 0 ADAERN Nc1ccnn1-c1ccc2[nH]ncc2c1 84363090 1169115568 /nfs/dbraw/zinc/11/55/68/1169115568.db2.gz IJAYKVVKZONVBV-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN Cc1cncnc1NC(C)C 84426666 1169115680 /nfs/dbraw/zinc/11/56/80/1169115680.db2.gz IIKRMBKTUAILIO-UHFFFAOYSA-N 0 0 151.213 1.605 10 0 ADAERN Nc1cccc(Cc2ccncc2)n1 83951212 1169116606 /nfs/dbraw/zinc/11/66/06/1169116606.db2.gz RRWXDAIHBBVTSI-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN COc1ccc(N)c2[nH]ccc12 84311249 1169117070 /nfs/dbraw/zinc/11/70/70/1169117070.db2.gz QNNRELMBJPJFMH-UHFFFAOYSA-N 0 0 162.192 1.759 10 0 ADAERN Cc1ccc(-c2cc(N)ncn2)cn1 84026614 1169117392 /nfs/dbraw/zinc/11/73/92/1169117392.db2.gz UBWRQHKGBZUVBQ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCc1nnc(CNC2CC2)s1 83964921 1169117485 /nfs/dbraw/zinc/11/74/85/1169117485.db2.gz RIQGSEMICCZPHG-UHFFFAOYSA-N 0 0 183.280 1.353 10 0 ADAERN COc1cccc(F)c1NC[C@H](C)O 84929673 1169118467 /nfs/dbraw/zinc/11/84/67/1169118467.db2.gz ZNDDVBDDEPXWRA-ZETCQYMHSA-N 0 0 199.225 1.627 10 0 ADAERN Cc1cccc(-n2nccc2N)c1F 84929693 1169118511 /nfs/dbraw/zinc/11/85/11/1169118511.db2.gz FYGQXJJZKQVUHO-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CCCc1nnc(C(C)=O)o1 84426807 1169118543 /nfs/dbraw/zinc/11/85/43/1169118543.db2.gz LBWFDHPVSSEVRB-UHFFFAOYSA-N 0 0 154.169 1.225 10 0 ADAERN Cc1cccc(-n2cc(N)cn2)c1F 84929717 1169118708 /nfs/dbraw/zinc/11/87/08/1169118708.db2.gz XLRFAWVNLORVGL-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1nn(C)cc1-c1cccc(N)n1 85017733 1169118815 /nfs/dbraw/zinc/11/88/15/1169118815.db2.gz VZDVUXLWJYGKLO-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Clc1ccc(O[C@@H]2CCOC2)nc1 85316413 1169118917 /nfs/dbraw/zinc/11/89/17/1169118917.db2.gz SQYNHBRVHHTRJI-MRVPVSSYSA-N 0 0 199.637 1.903 10 0 ADAERN CCCCNc1nccc(NC)n1 84446406 1169119205 /nfs/dbraw/zinc/11/92/05/1169119205.db2.gz BKUQTIWWTLORFT-UHFFFAOYSA-N 0 0 180.255 1.730 10 0 ADAERN C[C@H](O)CNc1cccs1 84929680 1169119275 /nfs/dbraw/zinc/11/92/75/1169119275.db2.gz PBYVEOMIFKHBQF-LURJTMIESA-N 0 0 157.238 1.541 10 0 ADAERN COc1cccc(NC[C@H](C)O)c1F 84929669 1169119361 /nfs/dbraw/zinc/11/93/61/1169119361.db2.gz NXEXBGZKQCETGH-ZETCQYMHSA-N 0 0 199.225 1.627 10 0 ADAERN CCOC(=O)CCc1cnccc1C 85491078 1169119521 /nfs/dbraw/zinc/11/95/21/1169119521.db2.gz YUCKMKQENSYMSF-UHFFFAOYSA-N 0 0 193.246 1.886 10 0 ADAERN Cc1ccc2c(c1)CCC(=O)N2C 84767098 1169120093 /nfs/dbraw/zinc/12/00/93/1169120093.db2.gz UHRPKSNMJFMVKY-UHFFFAOYSA-N 0 0 175.231 1.904 10 0 ADAERN Cc1cnccc1-c1cc(N)ncn1 85425045 1169120139 /nfs/dbraw/zinc/12/01/39/1169120139.db2.gz XXIOLBCEPKTBLM-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCNC(=O)Cc1ccc(C)c(N)c1 84902209 1169120192 /nfs/dbraw/zinc/12/01/92/1169120192.db2.gz REQIRHSGNHKEOR-UHFFFAOYSA-N 0 0 192.262 1.256 10 0 ADAERN CC(=O)c1nnc(C2CCCC2)o1 84446185 1169120216 /nfs/dbraw/zinc/12/02/16/1169120216.db2.gz BOADMLFFABFDNF-UHFFFAOYSA-N 0 0 180.207 1.930 10 0 ADAERN Cc1ccncc1-c1cc(N)ncn1 85443230 1169120580 /nfs/dbraw/zinc/12/05/80/1169120580.db2.gz HANUIXKQTTXMCJ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccncc1-c1ccc(N)nn1 85443220 1169120772 /nfs/dbraw/zinc/12/07/72/1169120772.db2.gz VOSSFCXSNQBMDL-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[C@@H](C)Nc1nccc(NC)n1 84446409 1169120868 /nfs/dbraw/zinc/12/08/68/1169120868.db2.gz CXZCXTVGAZRQLW-SSDOTTSWSA-N 0 0 180.255 1.729 10 0 ADAERN CNc1ccnc(NCC(C)C)n1 84446408 1169120983 /nfs/dbraw/zinc/12/09/83/1169120983.db2.gz MEEVIPQRUMMZSK-UHFFFAOYSA-N 0 0 180.255 1.586 10 0 ADAERN CC[C@H](C)Nc1nccc(NC)n1 84446412 1169121054 /nfs/dbraw/zinc/12/10/54/1169121054.db2.gz CXZCXTVGAZRQLW-ZETCQYMHSA-N 0 0 180.255 1.729 10 0 ADAERN Cc1ccc(CC(=O)N(C)C)cc1N 84897245 1169121165 /nfs/dbraw/zinc/12/11/65/1169121165.db2.gz USBLSMULEUTYIB-UHFFFAOYSA-N 0 0 192.262 1.208 10 0 ADAERN CC/C=C(/C)C(=O)N[C@@H](CO)C(C)C 86128895 1169122115 /nfs/dbraw/zinc/12/21/15/1169122115.db2.gz AZIGHFNYTMNREQ-MBACFSSFSA-N 0 0 199.294 1.476 10 0 ADAERN CC(C)=CC(=O)N[C@@H](CO)C(C)C 86128869 1169122603 /nfs/dbraw/zinc/12/26/03/1169122603.db2.gz PDSHQYJRUTUXKP-VIFPVBQESA-N 0 0 185.267 1.086 10 0 ADAERN Cc1cccc2[nH]c(CCCO)nc12 86085554 1169122892 /nfs/dbraw/zinc/12/28/92/1169122892.db2.gz LVJCCZZIJGMRAR-UHFFFAOYSA-N 0 0 190.246 1.796 10 0 ADAERN C/C=C/C=C/C(=O)N[C@@H](CO)C(C)C 86128720 1169123171 /nfs/dbraw/zinc/12/31/71/1169123171.db2.gz PTPZDLJBSWKXBR-KPMJTYEXSA-N 0 0 197.278 1.252 10 0 ADAERN CC(C)[C@H](CO)NC(=O)C1CC=CC1 86128831 1169123205 /nfs/dbraw/zinc/12/32/05/1169123205.db2.gz OBXXLEVCOCNTMK-JTQLQIEISA-N 0 0 197.278 1.086 10 0 ADAERN COC(=O)CCc1ccc(N)cc1C 88190038 1169126239 /nfs/dbraw/zinc/12/62/39/1169126239.db2.gz PFUCHFQQAZBFDR-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN Cc1ccc(F)c(S(C)(=O)=O)c1 90377527 1169125133 /nfs/dbraw/zinc/12/51/33/1169125133.db2.gz VSYXOFJZQHGRIS-UHFFFAOYSA-N 0 0 188.223 1.538 10 0 ADAERN C=CCc1ccnnc1 90158134 1169125151 /nfs/dbraw/zinc/12/51/51/1169125151.db2.gz NBGALNUIDIPBLN-UHFFFAOYSA-N 0 0 120.155 1.205 10 0 ADAERN COC(=O)Cc1ccc(O)cc1C 88189788 1169125224 /nfs/dbraw/zinc/12/52/24/1169125224.db2.gz ZBQBSRXDNRKDPZ-UHFFFAOYSA-N 0 0 180.203 1.416 10 0 ADAERN CC(=O)[C@@H](C)Oc1cccc(O)c1 90756252 1169125726 /nfs/dbraw/zinc/12/57/26/1169125726.db2.gz UJGCBIBFXMEXNM-MRVPVSSYSA-N 0 0 180.203 1.749 10 0 ADAERN C#CCc1cc(OC)cc(OC)c1 88263229 1169125758 /nfs/dbraw/zinc/12/57/58/1169125758.db2.gz WKINMIPHWXXRMX-UHFFFAOYSA-N 0 0 176.215 1.880 10 0 ADAERN Oc1ccccc1-c1cnccn1 90715349 1169126067 /nfs/dbraw/zinc/12/60/67/1169126067.db2.gz ZBGPAQPJWFTMLC-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN CCCN(C)C(=O)CCCCCO 88366835 1169126107 /nfs/dbraw/zinc/12/61/07/1169126107.db2.gz BGWKPXJXGJXQIK-UHFFFAOYSA-N 0 0 187.283 1.408 10 0 ADAERN COc1ccc(-c2cnn(C)c2)cn1 88384811 1169126202 /nfs/dbraw/zinc/12/62/02/1169126202.db2.gz IXGKSMHEMXDAJO-UHFFFAOYSA-N 0 0 189.218 1.491 10 0 ADAERN CC(=O)[C@H](C)Oc1cccc(O)c1 90756251 1169127188 /nfs/dbraw/zinc/12/71/88/1169127188.db2.gz UJGCBIBFXMEXNM-QMMMGPOBSA-N 0 0 180.203 1.749 10 0 ADAERN Cc1ccc(S(C)(=O)=O)c(F)c1 90377414 1169127314 /nfs/dbraw/zinc/12/73/14/1169127314.db2.gz GHLKMUFOKGPMRY-UHFFFAOYSA-N 0 0 188.223 1.538 10 0 ADAERN C=Cc1cccc(-c2nn[nH]n2)c1 95129124 1169127686 /nfs/dbraw/zinc/12/76/86/1169127686.db2.gz LETPWFJWVAEZFH-UHFFFAOYSA-N 0 0 172.191 1.510 10 0 ADAERN O=c1ccc(-c2nccs2)c[nH]1 88384841 1169127733 /nfs/dbraw/zinc/12/77/33/1169127733.db2.gz LWHHPKNOCSIAIN-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN CNC(=O)c1ccc2cccnc2c1 90133092 1169127798 /nfs/dbraw/zinc/12/77/98/1169127798.db2.gz GCJYRIRCTQDLJX-UHFFFAOYSA-N 0 0 186.214 1.594 10 0 ADAERN COC(=O)Cc1cccc(Cl)c1N 88189780 1169128078 /nfs/dbraw/zinc/12/80/78/1169128078.db2.gz NODQZLZALRNLJC-UHFFFAOYSA-N 0 0 199.637 1.638 10 0 ADAERN CCCCCCOC(=O)[C@@H](O)CC 95574628 1169128549 /nfs/dbraw/zinc/12/85/49/1169128549.db2.gz XNHHSKNFXPNYEB-VIFPVBQESA-N 0 0 188.267 1.881 10 0 ADAERN CC(C)Oc1cc(O)cc(C(N)=O)c1 95710619 1169128924 /nfs/dbraw/zinc/12/89/24/1169128924.db2.gz OUFSDOMMRSRMSW-UHFFFAOYSA-N 0 0 195.218 1.278 10 0 ADAERN CC(C)Oc1cc(O)ccc1C(N)=O 95710655 1169128965 /nfs/dbraw/zinc/12/89/65/1169128965.db2.gz HBANYUGOMXNANO-UHFFFAOYSA-N 0 0 195.218 1.278 10 0 ADAERN CC(C)Oc1c[nH]ccc1=O 95710855 1169128984 /nfs/dbraw/zinc/12/89/84/1169128984.db2.gz QFCZNUNFPNCDDF-UHFFFAOYSA-N 0 0 153.181 1.162 10 0 ADAERN CNC(=O)c1ccc(OC2CC2)cc1 95725095 1169129186 /nfs/dbraw/zinc/12/91/86/1169129186.db2.gz DMNQXJJAPRLUNG-UHFFFAOYSA-N 0 0 191.230 1.587 10 0 ADAERN CC(C)Oc1cccc(O)c1C(N)=O 95710824 1169129199 /nfs/dbraw/zinc/12/91/99/1169129199.db2.gz WBYNYEHEFDISLT-UHFFFAOYSA-N 0 0 195.218 1.278 10 0 ADAERN CCC(=CC(N)=O)CC 95721238 1169129330 /nfs/dbraw/zinc/12/93/30/1169129330.db2.gz UVRCNEIYXSRHNT-UHFFFAOYSA-N 0 0 127.187 1.218 10 0 ADAERN c1ccc2[nH]c(-c3ncc[nH]3)nc2c1 95923054 1169129927 /nfs/dbraw/zinc/12/99/27/1169129927.db2.gz FYEWLNDAMUOKTG-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN CCCCCNc1ncnc(N)n1 95864231 1169130371 /nfs/dbraw/zinc/13/03/71/1169130371.db2.gz NETNNUKACRIJOX-UHFFFAOYSA-N 0 0 181.243 1.056 10 0 ADAERN Cc1ncccc1OC1CC1 95723061 1169130427 /nfs/dbraw/zinc/13/04/27/1169130427.db2.gz FNCMHNUNPXKVLU-UHFFFAOYSA-N 0 0 149.193 1.931 10 0 ADAERN CNC(=O)c1cccc(OC2CC2)c1 95726879 1169130823 /nfs/dbraw/zinc/13/08/23/1169130823.db2.gz SQBQGDMHTWAQKE-UHFFFAOYSA-N 0 0 191.230 1.587 10 0 ADAERN Cc1ccc(N)nc1F 95768654 1169130895 /nfs/dbraw/zinc/13/08/95/1169130895.db2.gz BMAYQKSRDPSASH-UHFFFAOYSA-N 0 0 126.134 1.111 10 0 ADAERN CC(C)Oc1cc(=O)cc[nH]1 95710857 1169130937 /nfs/dbraw/zinc/13/09/37/1169130937.db2.gz CNCHNKJQDBCJDJ-UHFFFAOYSA-N 0 0 153.181 1.574 10 0 ADAERN Cc1c(C=O)c(Cl)nn1C 96862209 1169131769 /nfs/dbraw/zinc/13/17/69/1169131769.db2.gz GMVXGELXGRNICU-UHFFFAOYSA-N 0 0 158.588 1.194 10 0 ADAERN Nc1ncc(-c2cccc(O)c2)cn1 96312568 1169131980 /nfs/dbraw/zinc/13/19/80/1169131980.db2.gz XLPWZBNMKZOGJZ-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ncc(-c2ccc(F)nc2)cn1 96312487 1169132091 /nfs/dbraw/zinc/13/20/91/1169132091.db2.gz HBEDSKNVVXNUOU-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN COCC(=O)NCCCCC(C)C 96866979 1169132111 /nfs/dbraw/zinc/13/21/11/1169132111.db2.gz WIEBNSVEALFISW-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN c1cncc(-c2nnc3ccccn23)c1 95933574 1169132138 /nfs/dbraw/zinc/13/21/38/1169132138.db2.gz XKCWVBXYIPZJAQ-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN Nc1ncc(-c2ccc(O)cc2)cn1 96312529 1169132259 /nfs/dbraw/zinc/13/22/59/1169132259.db2.gz PCYAGOZRIGCULR-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ncc(-c2cccnc2F)cn1 96312430 1169132618 /nfs/dbraw/zinc/13/26/18/1169132618.db2.gz DFSWSXSPOUKTNS-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1ncc(-c2ccccc2O)cn1 96312573 1169132758 /nfs/dbraw/zinc/13/27/58/1169132758.db2.gz KNAALOCBRABLKM-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN CN(C)c1ncc2ccccc2n1 96032346 1169132827 /nfs/dbraw/zinc/13/28/27/1169132827.db2.gz BJILMFOQIKLOAR-UHFFFAOYSA-N 0 0 173.219 1.696 10 0 ADAERN CCc1ccc(C(=O)OC)c(N)c1 95932399 1169132896 /nfs/dbraw/zinc/13/28/96/1169132896.db2.gz QTXREZLNABTYQK-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN C[C@H]1[C@H](C)CCC[C@H]1OC(=O)CO 306330716 673916050 /nfs/dbraw/zinc/91/60/50/673916050.db2.gz CQCDEKVGTGFRFU-HRDYMLBCSA-N 0 0 186.251 1.347 10 0 ADAERN C[C@H]1COCCN1Cc1ccoc1 306321864 673916119 /nfs/dbraw/zinc/91/61/19/673916119.db2.gz XLDXMXPAGBTXGU-VIFPVBQESA-N 0 0 181.235 1.500 10 0 ADAERN O=C(NN1CCCC1)C1CC=CC1 306922043 673915509 /nfs/dbraw/zinc/91/55/09/673915509.db2.gz SXIIXMDYGPKTOH-UHFFFAOYSA-N 0 0 180.251 1.080 10 0 ADAERN c1cnc2cnn([C@@H]3CCOC3)c2c1 757122854 673914365 /nfs/dbraw/zinc/91/43/65/673914365.db2.gz YKPKZHYNONLWCU-MRVPVSSYSA-N 0 0 189.218 1.393 10 0 ADAERN CCc1nc(C(=O)C2CC2)sc1N 757122907 673914400 /nfs/dbraw/zinc/91/44/00/673914400.db2.gz GFEXJGNCZXCPII-UHFFFAOYSA-N 0 0 196.275 1.880 10 0 ADAERN CCc1nc(C(C)=O)sc1N 757122011 673914431 /nfs/dbraw/zinc/91/44/31/673914431.db2.gz DHQUXTSODWEBLN-UHFFFAOYSA-N 0 0 170.237 1.490 10 0 ADAERN CNCc1csc(C(C)=O)n1 757122819 673914466 /nfs/dbraw/zinc/91/44/66/673914466.db2.gz FMRVTVSILZKWJR-UHFFFAOYSA-N 0 0 170.237 1.065 10 0 ADAERN CCc1ccoc1C(=N)NO 757122613 673914495 /nfs/dbraw/zinc/91/44/95/673914495.db2.gz RBHSFFRCYTUTMF-UHFFFAOYSA-N 0 0 154.169 1.146 10 0 ADAERN Cc1ncc(CNC2CSC2)o1 306764210 673914514 /nfs/dbraw/zinc/91/45/14/673914514.db2.gz ZCWFXGRJJTZIBR-UHFFFAOYSA-N 0 0 184.264 1.188 10 0 ADAERN c1cnc2cnn(C3CC3)c2c1 757122756 673914584 /nfs/dbraw/zinc/91/45/84/673914584.db2.gz VRBHLEJSCIQIAP-UHFFFAOYSA-N 0 0 159.192 1.766 10 0 ADAERN CCCC(=O)c1nc(CO)cs1 757122003 673914626 /nfs/dbraw/zinc/91/46/26/673914626.db2.gz DAWDNVIKVDEUHC-UHFFFAOYSA-N 0 0 185.248 1.618 10 0 ADAERN CC(C)c1ccoc1C(=N)NO 757122815 673914669 /nfs/dbraw/zinc/91/46/69/673914669.db2.gz WXKXPWRAESYCHA-UHFFFAOYSA-N 0 0 168.196 1.707 10 0 ADAERN CC(C)c1ccoc1C(=N)NN 757122847 673914737 /nfs/dbraw/zinc/91/47/37/673914737.db2.gz YAZKLLMAGKFIRL-UHFFFAOYSA-N 0 0 167.212 1.192 10 0 ADAERN CCCc1c[nH]ccc1=O 757122647 673914755 /nfs/dbraw/zinc/91/47/55/673914755.db2.gz UAFUYZFLVUEGEW-UHFFFAOYSA-N 0 0 137.182 1.327 10 0 ADAERN CC1([C@H](O)c2nccs2)CC1 757121986 673914767 /nfs/dbraw/zinc/91/47/67/673914767.db2.gz CZBZVWLGGRDQAZ-ZCFIWIBFSA-N 0 0 169.249 1.977 10 0 ADAERN CCCc1ccoc1C(=N)NO 757122835 673914772 /nfs/dbraw/zinc/91/47/72/673914772.db2.gz XROKJROSWNJBKH-UHFFFAOYSA-N 0 0 168.196 1.536 10 0 ADAERN CC(C)CC(=O)c1nc(CO)cs1 757122004 673914810 /nfs/dbraw/zinc/91/48/10/673914810.db2.gz DCLUJHGFLMTOFD-UHFFFAOYSA-N 0 0 199.275 1.864 10 0 ADAERN Cc1nc(C(=O)C(C)C)sc1CO 757122926 673914823 /nfs/dbraw/zinc/91/48/23/673914823.db2.gz GULDGOFYHFTIDX-UHFFFAOYSA-N 0 0 199.275 1.783 10 0 ADAERN CCC(=O)c1nc(CO)cs1 757122832 673914839 /nfs/dbraw/zinc/91/48/39/673914839.db2.gz FQRWLGHZSIRSPU-UHFFFAOYSA-N 0 0 171.221 1.228 10 0 ADAERN CC1([C@@H](O)c2nccs2)CC1 757121984 673914874 /nfs/dbraw/zinc/91/48/74/673914874.db2.gz CZBZVWLGGRDQAZ-LURJTMIESA-N 0 0 169.249 1.977 10 0 ADAERN CCCCc1ccoc1C(=N)NN 757122032 673914909 /nfs/dbraw/zinc/91/49/09/673914909.db2.gz NOEWZAXFLMAVAJ-UHFFFAOYSA-N 0 0 181.239 1.411 10 0 ADAERN C/C=C/C(=O)NCC1=CCOCC1 306890166 673915035 /nfs/dbraw/zinc/91/50/35/673915035.db2.gz UVVGHIYJJZWTLU-NSCUHMNNSA-N 0 0 181.235 1.025 10 0 ADAERN c1ccc(-n2ncc3ncccc32)nc1 757122031 673915087 /nfs/dbraw/zinc/91/50/87/673915087.db2.gz NGRRBNSLHVSWEG-UHFFFAOYSA-N 0 0 196.213 1.816 10 0 ADAERN c1cnc(-n2ncc3ncccc32)nc1 757122685 673915147 /nfs/dbraw/zinc/91/51/47/673915147.db2.gz UFIPRZPDBXPPPA-UHFFFAOYSA-N 0 0 197.201 1.211 10 0 ADAERN CC(C)Cc1ccoc1C(=N)NN 757122688 673915199 /nfs/dbraw/zinc/91/51/99/673915199.db2.gz UGEYWNLHCAMAPT-UHFFFAOYSA-N 0 0 181.239 1.267 10 0 ADAERN CC1(C(=O)c2nc(CO)cs2)CC1 757122839 673915221 /nfs/dbraw/zinc/91/52/21/673915221.db2.gz FSAPORQJCRQIQO-UHFFFAOYSA-N 0 0 197.259 1.618 10 0 ADAERN c1cnc2cnn([C@H]3CCOC3)c2c1 757122862 673915226 /nfs/dbraw/zinc/91/52/26/673915226.db2.gz YKPKZHYNONLWCU-QMMMGPOBSA-N 0 0 189.218 1.393 10 0 ADAERN CCC(=O)c1nc(CNC)cs1 757122690 673915273 /nfs/dbraw/zinc/91/52/73/673915273.db2.gz FEMGMBTWZAPJLE-UHFFFAOYSA-N 0 0 184.264 1.455 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)/C=C/C1CC1 306925697 673915443 /nfs/dbraw/zinc/91/54/43/673915443.db2.gz NHQJAXKBHYMHHC-HZMPTLLJSA-N 0 0 165.236 1.477 10 0 ADAERN Cc1cnc(N[C@H](C)[C@@H](C)O)nc1C 306925434 673915519 /nfs/dbraw/zinc/91/55/19/673915519.db2.gz MGMXPCPBOZUYMP-RKDXNWHRSA-N 0 0 195.266 1.275 10 0 ADAERN CC[C@H](COC)Nc1cc(C)cnn1 234027499 673915622 /nfs/dbraw/zinc/91/56/22/673915622.db2.gz SUOWKTQMIQJQMR-SECBINFHSA-N 0 0 195.266 1.622 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)/C=C/C1CC1 306925698 673915679 /nfs/dbraw/zinc/91/56/79/673915679.db2.gz NHQJAXKBHYMHHC-JSRGBMGHSA-N 0 0 165.236 1.477 10 0 ADAERN C#CCc1cc(C)ccc1O 100979881 1169135225 /nfs/dbraw/zinc/13/52/25/1169135225.db2.gz DYCXWVYTTZKTKS-UHFFFAOYSA-N 0 0 146.189 1.876 10 0 ADAERN CC(=O)NOCCC(C)C 306321446 673915884 /nfs/dbraw/zinc/91/58/84/673915884.db2.gz BXBYMGWBNBSQRR-UHFFFAOYSA-N 0 0 145.202 1.100 10 0 ADAERN 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AXNMTDAYQBZCHZ-UHFFFAOYSA-N 0 0 175.297 1.606 10 0 ADAERN Fc1cccnc1-c1cc[nH]n1 118157130 1169162774 /nfs/dbraw/zinc/16/27/74/1169162774.db2.gz CRCJZTUPEARUBP-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN C/C=C/C[S@@](=O)CCOCC 307855923 673943415 /nfs/dbraw/zinc/94/34/15/673943415.db2.gz CMWFBOQDQGWDTH-JOAKQRRISA-N 0 0 176.281 1.348 10 0 ADAERN CON(C)C(=O)CSCC(C)C 307985580 673943693 /nfs/dbraw/zinc/94/36/93/673943693.db2.gz QYJWUULWKSIKMZ-UHFFFAOYSA-N 0 0 191.296 1.395 10 0 ADAERN C[C@@H](C[C@@H](C)O)Nc1nncs1 122544917 1169163415 /nfs/dbraw/zinc/16/34/15/1169163415.db2.gz CGARHUAHWHIBOG-NTSWFWBYSA-N 0 0 187.268 1.109 10 0 ADAERN C/C=C\C(=O)N1[C@H](C)CC[C@H]1C 307994402 673943720 /nfs/dbraw/zinc/94/37/20/673943720.db2.gz AWQHNBCWTFCISS-UVSMVFJQSA-N 0 0 167.252 1.962 10 0 ADAERN CCC[C@@H](C)OC(=O)C1COC1 307976688 673943739 /nfs/dbraw/zinc/94/37/39/673943739.db2.gz LUFLGFFSHILDAD-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN C=CCOC(=O)[C@H](O)[C@H](C)CC 168489059 673943756 /nfs/dbraw/zinc/94/37/56/673943756.db2.gz CIZRKQANBJWJFL-HTQZYQBOSA-N 0 0 172.224 1.123 10 0 ADAERN C[C@H](O)C[C@H](C)Nc1nncs1 122545342 1169163495 /nfs/dbraw/zinc/16/34/95/1169163495.db2.gz CGARHUAHWHIBOG-WDSKDSINSA-N 0 0 187.268 1.109 10 0 ADAERN CCNC(=S)N(C)CC1CCC1 123133810 1169163556 /nfs/dbraw/zinc/16/35/56/1169163556.db2.gz MVZVZDLXJKMUFD-UHFFFAOYSA-N 0 0 186.324 1.613 10 0 ADAERN COC(=O)Nc1cc(C)no1 122590780 1169163616 /nfs/dbraw/zinc/16/36/16/1169163616.db2.gz OSWMTQVEXXWTDR-UHFFFAOYSA-N 0 0 156.141 1.161 10 0 ADAERN COC(=O)N[C@H](C)c1nccs1 122765996 1169163634 /nfs/dbraw/zinc/16/36/34/1169163634.db2.gz NIAIAVHRZFYKJI-RXMQYKEDSA-N 0 0 186.236 1.560 10 0 ADAERN COCC[N@H+](CCF)CC(C)C 307992592 673943954 /nfs/dbraw/zinc/94/39/54/673943954.db2.gz UPBATKADSLDESN-UHFFFAOYSA-N 0 0 177.263 1.560 10 0 ADAERN CCCNC(=S)N1CC[C@@H]1CC 307994457 673944044 /nfs/dbraw/zinc/94/40/44/673944044.db2.gz VJJNJRSBYQCJFB-QMMMGPOBSA-N 0 0 186.324 1.755 10 0 ADAERN COC(=O)N[C@@H](C)c1nccs1 122765828 1169163708 /nfs/dbraw/zinc/16/37/08/1169163708.db2.gz NIAIAVHRZFYKJI-YFKPBYRVSA-N 0 0 186.236 1.560 10 0 ADAERN CNC(=O)NC1(C)CC(F)(F)C1 720970066 673944428 /nfs/dbraw/zinc/94/44/28/673944428.db2.gz DLAYATPAXAJXQF-UHFFFAOYSA-N 0 0 178.182 1.103 10 0 ADAERN OC[C@@H]1C[C@@H](F)CN1C/C=C\Cl 308141460 673944443 /nfs/dbraw/zinc/94/44/43/673944443.db2.gz HONNWODDFFAPHW-DREYKADXSA-N 0 0 193.649 1.144 10 0 ADAERN CC1CN(C(=O)C[C@@H](C)C2CC2)C1 308141334 673944465 /nfs/dbraw/zinc/94/44/65/673944465.db2.gz ITEAIKYFXZDQPH-SECBINFHSA-N 0 0 181.279 1.901 10 0 ADAERN CNC(=S)N(C)CC1CCC1 123132553 1169164353 /nfs/dbraw/zinc/16/43/53/1169164353.db2.gz KUCDEVGDLWOWCQ-UHFFFAOYSA-N 0 0 172.297 1.223 10 0 ADAERN C[C@H](O)c1cc([C@H]2CCCO2)no1 721508878 673944788 /nfs/dbraw/zinc/94/47/88/673944788.db2.gz NBKDNRIQQRGDTN-POYBYMJQSA-N 0 0 183.207 1.579 10 0 ADAERN CCC/C=C\COC(=O)[C@@H](C)OC 308414527 673944818 /nfs/dbraw/zinc/94/48/18/673944818.db2.gz QDLGFSXOKXXXNA-ATJFRQLMSA-N 0 0 186.251 1.921 10 0 ADAERN COCCOC(=O)/C=C/C(C)(C)C 308427295 673944822 /nfs/dbraw/zinc/94/48/22/673944822.db2.gz RRNLAGGAHFEFPP-AATRIKPKSA-N 0 0 186.251 1.778 10 0 ADAERN CC[C@@H](C)OCC(=O)OC1CCC1 308410820 673944866 /nfs/dbraw/zinc/94/48/66/673944866.db2.gz LKZPJHJBUOLHCT-MRVPVSSYSA-N 0 0 186.251 1.897 10 0 ADAERN C[C@@H](O)c1cc([C@@H]2CCCO2)no1 721508881 673945018 /nfs/dbraw/zinc/94/50/18/673945018.db2.gz NBKDNRIQQRGDTN-SVRRBLITSA-N 0 0 183.207 1.579 10 0 ADAERN CO[C@H](C)CNC(=O)/C=C/C1CC1 308423719 673945030 /nfs/dbraw/zinc/94/50/30/673945030.db2.gz PURXISOOTRJCAV-HQZHTGGTSA-N 0 0 183.251 1.104 10 0 ADAERN O=C(OCCC(F)(F)F)C1COC1 308426428 673945075 /nfs/dbraw/zinc/94/50/75/673945075.db2.gz XAGPWESFVDFIJP-UHFFFAOYSA-N 0 0 198.140 1.128 10 0 ADAERN CC(=O)CCN(C)Cc1nccs1 308414403 673945179 /nfs/dbraw/zinc/94/51/79/673945179.db2.gz MSWHEKAIQRBAKU-UHFFFAOYSA-N 0 0 198.291 1.554 10 0 ADAERN CCCOC(=O)CC1(C)COC1 924111657 673945526 /nfs/dbraw/zinc/94/55/26/673945526.db2.gz TWWOIQLCWXMEAM-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN CC1(CC(=O)OCCC2CC2)COC1 924115858 673945553 /nfs/dbraw/zinc/94/55/53/673945553.db2.gz MRTQDVFNLYMFDZ-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN NC(=O)/C=C\c1ccsc1 116029289 673945632 /nfs/dbraw/zinc/94/56/32/673945632.db2.gz HMFMZDVRUBMBII-UPHRSURJSA-N 0 0 153.206 1.247 10 0 ADAERN C[C@H](O)C[C@@H](C)Nc1nncs1 122545541 1169165263 /nfs/dbraw/zinc/16/52/63/1169165263.db2.gz CGARHUAHWHIBOG-RITPCOANSA-N 0 0 187.268 1.109 10 0 ADAERN CC1(CC(=O)OCCCF)COC1 924116024 673945669 /nfs/dbraw/zinc/94/56/69/673945669.db2.gz SLRGDXNTQTYTOX-UHFFFAOYSA-N 0 0 190.214 1.316 10 0 ADAERN C[C@@H](O)C[C@@H](C)Nc1nncs1 122545123 1169165434 /nfs/dbraw/zinc/16/54/34/1169165434.db2.gz CGARHUAHWHIBOG-PHDIDXHHSA-N 0 0 187.268 1.109 10 0 ADAERN Cn1cc(Nc2cccnc2N)cn1 122868776 1169165463 /nfs/dbraw/zinc/16/54/63/1169165463.db2.gz NXFUQVCOKMAZKR-UHFFFAOYSA-N 0 0 189.222 1.141 10 0 ADAERN Cc1nn(C)cc1-c1cc(N)ccn1 122750353 1169165536 /nfs/dbraw/zinc/16/55/36/1169165536.db2.gz FDICYKUVOGSMTC-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCNC(=O)N[C@H](C)c1nccs1 122772993 1169165560 /nfs/dbraw/zinc/16/55/60/1169165560.db2.gz DBSOBFBSPXCQAE-ZCFIWIBFSA-N 0 0 199.279 1.523 10 0 ADAERN CC1(CC(=O)OC2CCCC2)COC1 924116681 673945945 /nfs/dbraw/zinc/94/59/45/673945945.db2.gz QZRSHXWYAOPCCP-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN CC1(CC(=O)OCC2CC2)COC1 924115522 673946049 /nfs/dbraw/zinc/94/60/49/673946049.db2.gz AOZALXFFPBQREU-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN Cn1ccc(CC(=O)C(C)(C)C)n1 124124877 1169166071 /nfs/dbraw/zinc/16/60/71/1169166071.db2.gz NPYGXBIXNZIQIK-UHFFFAOYSA-N 0 0 180.251 1.578 10 0 ADAERN CC1(O)CN(CCCC(F)(F)F)C1 124178717 1169167093 /nfs/dbraw/zinc/16/70/93/1169167093.db2.gz DTWUOTDBDAADON-UHFFFAOYSA-N 0 0 197.200 1.396 10 0 ADAERN Cn1ccc(CSCCCO)n1 123979964 1169167272 /nfs/dbraw/zinc/16/72/72/1169167272.db2.gz QGPCQILZEJPSGJ-UHFFFAOYSA-N 0 0 186.280 1.036 10 0 ADAERN CCC[C@H](O)CNc1nncs1 123513481 1169167347 /nfs/dbraw/zinc/16/73/47/1169167347.db2.gz PKCFKCPVLUYMOS-LURJTMIESA-N 0 0 187.268 1.111 10 0 ADAERN COCC(C)(C)Nc1cc(C)ncn1 123470510 1169167417 /nfs/dbraw/zinc/16/74/17/1169167417.db2.gz UZNMVHIGEHLZOI-UHFFFAOYSA-N 0 0 195.266 1.622 10 0 ADAERN CN(CC(F)(F)F)C(=O)NC1CC1 123832412 1169167769 /nfs/dbraw/zinc/16/77/69/1169167769.db2.gz ZAUVGJIDZKPXKV-UHFFFAOYSA-N 0 0 196.172 1.353 10 0 ADAERN CC(C)(CCO)Nc1ccccn1 123667249 1169167833 /nfs/dbraw/zinc/16/78/33/1169167833.db2.gz FKEOHAURVYPHOP-UHFFFAOYSA-N 0 0 180.251 1.655 10 0 ADAERN CC(C)(O)CCN1CC[C@@H]1C(F)F 931422286 673948122 /nfs/dbraw/zinc/94/81/22/673948122.db2.gz VNPCKUZYZOSTBO-SSDOTTSWSA-N 0 0 193.237 1.487 10 0 ADAERN Cc1cc(CN2CCCC2=O)on1 197185886 673948223 /nfs/dbraw/zinc/94/82/23/673948223.db2.gz GPMAZJNIWOGQNY-UHFFFAOYSA-N 0 0 180.207 1.105 10 0 ADAERN CC(C)(O)CCN1CC[C@H]1C(F)F 931422287 673948229 /nfs/dbraw/zinc/94/82/29/673948229.db2.gz VNPCKUZYZOSTBO-ZETCQYMHSA-N 0 0 193.237 1.487 10 0 ADAERN FC(F)[C@H]1CCN1CC(F)(F)F 931421868 673948238 /nfs/dbraw/zinc/94/82/38/673948238.db2.gz MUHZBMVDHRNEGO-SCSAIBSYSA-N 0 0 189.127 1.888 10 0 ADAERN CC(=O)OCC[C@H](C)COC(C)=O 197254276 673948264 /nfs/dbraw/zinc/94/82/64/673948264.db2.gz BHMHFYWLBXKFJE-ZETCQYMHSA-N 0 0 188.223 1.139 10 0 ADAERN CCOC(=O)Cc1cncc(OC)c1 124375584 1169168047 /nfs/dbraw/zinc/16/80/47/1169168047.db2.gz NHXAQYXOEVZYRV-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN CCC[C@@H](O)CNc1nncs1 123513687 1169168056 /nfs/dbraw/zinc/16/80/56/1169168056.db2.gz PKCFKCPVLUYMOS-ZCFIWIBFSA-N 0 0 187.268 1.111 10 0 ADAERN FC(F)[C@@H]1CCN1CC(F)(F)F 931421862 673948486 /nfs/dbraw/zinc/94/84/86/673948486.db2.gz MUHZBMVDHRNEGO-BYPYZUCNSA-N 0 0 189.127 1.888 10 0 ADAERN Cc1ccnc(NC(C)(C)CCO)c1 123668531 1169168419 /nfs/dbraw/zinc/16/84/19/1169168419.db2.gz JOSHDOFJBKBSOZ-UHFFFAOYSA-N 0 0 194.278 1.963 10 0 ADAERN OC1CN(CCCC(F)(F)F)C1 124177559 1169168435 /nfs/dbraw/zinc/16/84/35/1169168435.db2.gz QAOSTFZKJZYRIF-UHFFFAOYSA-N 0 0 183.173 1.005 10 0 ADAERN O=c1ccccn1CC(F)(F)F 123859578 1169168478 /nfs/dbraw/zinc/16/84/78/1169168478.db2.gz VCMZJDCTOSLTLN-UHFFFAOYSA-N 0 0 177.125 1.411 10 0 ADAERN CC1(NC(=O)NCC(F)(F)F)CC1 124462066 1169169059 /nfs/dbraw/zinc/16/90/59/1169169059.db2.gz PGAUVFIWGCDBTE-UHFFFAOYSA-N 0 0 196.172 1.400 10 0 ADAERN CNC(=S)N1CC[C@H](C)C[C@H]1C 125455104 1169169137 /nfs/dbraw/zinc/16/91/37/1169169137.db2.gz CFXVVPRROUTUMM-JGVFFNPUSA-N 0 0 186.324 1.611 10 0 ADAERN COC/C(C)=C\CN1CCCCCO1 931533469 673949406 /nfs/dbraw/zinc/94/94/06/673949406.db2.gz QFPKQJURDIUKHT-WDZFZDKYSA-N 0 0 199.294 1.997 10 0 ADAERN COCC(C)(C)Nc1cncc(N)c1 125708773 1169172896 /nfs/dbraw/zinc/17/28/96/1169172896.db2.gz WFDZZOFLOCTIJA-UHFFFAOYSA-N 0 0 195.266 1.501 10 0 ADAERN CC[C@@H]1CCC(=O)C[C@H]1O 206046148 673949474 /nfs/dbraw/zinc/94/94/74/673949474.db2.gz BMEKNPUOCLKBEX-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)O[C@H]1CCn2c(C)cnc21 893517647 673949466 /nfs/dbraw/zinc/94/94/66/673949466.db2.gz GYUQWKVLXPJQNV-QMMMGPOBSA-N 0 0 180.207 1.199 10 0 ADAERN CC(=O)O[C@@H]1CCn2c(C)cnc21 893517646 673949533 /nfs/dbraw/zinc/94/95/33/673949533.db2.gz GYUQWKVLXPJQNV-MRVPVSSYSA-N 0 0 180.207 1.199 10 0 ADAERN COC/C(C)=C/CN1CCCCCO1 931533468 673949598 /nfs/dbraw/zinc/94/95/98/673949598.db2.gz QFPKQJURDIUKHT-IZZDOVSWSA-N 0 0 199.294 1.997 10 0 ADAERN CCCCOC(=O)[C@H](CC)OC 147050864 673949605 /nfs/dbraw/zinc/94/96/05/673949605.db2.gz AKPGKEPGAYWANB-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN Cc1ncc(CN2CCCCCO2)o1 931533006 673949617 /nfs/dbraw/zinc/94/96/17/673949617.db2.gz KKJGAFUGOZKNHK-UHFFFAOYSA-N 0 0 196.250 1.901 10 0 ADAERN Cn1nccc1C(=O)OC1CCC1 307687505 673956561 /nfs/dbraw/zinc/95/65/61/673956561.db2.gz DPGZGQBSOCIHDU-UHFFFAOYSA-N 0 0 180.207 1.129 10 0 ADAERN OCc1ccc(OC2CC2)cc1 125468085 1169169662 /nfs/dbraw/zinc/16/96/62/1169169662.db2.gz IYBLKXVJNKRRNW-UHFFFAOYSA-N 0 0 164.204 1.720 10 0 ADAERN Cn1cc(-c2ccc(C=O)cc2)nn1 82951960 673950048 /nfs/dbraw/zinc/95/00/48/673950048.db2.gz PWJZIEZHWORVEQ-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN COC(=O)/C(C)=C\CSC 214624882 673950298 /nfs/dbraw/zinc/95/02/98/673950298.db2.gz CHHHKYWZMLWDRO-XQRVVYSFSA-N 0 0 160.238 1.469 10 0 ADAERN CNC(=S)N1CC[C@@H](C)C[C@@H]1C 125455332 1169170357 /nfs/dbraw/zinc/17/03/57/1169170357.db2.gz CFXVVPRROUTUMM-SFYZADRCSA-N 0 0 186.324 1.611 10 0 ADAERN CC[C@@H](O)CNc1cnc(C)c(C)n1 125059985 1169170508 /nfs/dbraw/zinc/17/05/08/1169170508.db2.gz JYUOWZALDXTYPT-SECBINFHSA-N 0 0 195.266 1.276 10 0 ADAERN CCCC[C@@H]1CC[NH2+]C[C@@H]1C(=O)[O-] 214424465 673950414 /nfs/dbraw/zinc/95/04/14/673950414.db2.gz IVVFKMYGWPWSIP-BDAKNGLRSA-N 0 0 185.267 1.487 10 0 ADAERN CC1(C)CCC(OCCO)CC1 124923294 1169170545 /nfs/dbraw/zinc/17/05/45/1169170545.db2.gz SWDQMULYOBNGFM-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN COCC(C)(C)Nc1ccncn1 125423014 1169170563 /nfs/dbraw/zinc/17/05/63/1169170563.db2.gz DJGFZBVFVQDPDY-UHFFFAOYSA-N 0 0 181.239 1.314 10 0 ADAERN COC(=O)N1CC[C@H](C)C[C@@H]1C 125579319 1169173002 /nfs/dbraw/zinc/17/30/02/1169173002.db2.gz MGVABTMLUQIEOV-YUMQZZPRSA-N 0 0 171.240 1.873 10 0 ADAERN CNC(=S)N1CC[C@H](C)C[C@@H]1C 125455524 1169170805 /nfs/dbraw/zinc/17/08/05/1169170805.db2.gz CFXVVPRROUTUMM-YUMQZZPRSA-N 0 0 186.324 1.611 10 0 ADAERN CC(=O)OC[C@H]1CC=CCC1 32164413 673950846 /nfs/dbraw/zinc/95/08/46/673950846.db2.gz UYBXBOOBIVAIJM-VIFPVBQESA-N 0 0 154.209 1.906 10 0 ADAERN COCC(C)(C)Nc1nccc(C)n1 124668626 1169171038 /nfs/dbraw/zinc/17/10/38/1169171038.db2.gz TZNVNNQCSFOBQR-UHFFFAOYSA-N 0 0 195.266 1.622 10 0 ADAERN CC(=O)OC[C@@H]1CC=CCC1 32164415 673951022 /nfs/dbraw/zinc/95/10/22/673951022.db2.gz UYBXBOOBIVAIJM-SECBINFHSA-N 0 0 154.209 1.906 10 0 ADAERN CCCNC(=O)NC1(C)CC1 124474530 1169171343 /nfs/dbraw/zinc/17/13/43/1169171343.db2.gz WDBYRKDXTUMLLW-UHFFFAOYSA-N 0 0 156.229 1.248 10 0 ADAERN CCC(=O)O[C@@H](C)C(C)C 32161325 673951131 /nfs/dbraw/zinc/95/11/31/673951131.db2.gz RYYMZRUXQWULCT-ZETCQYMHSA-N 0 0 144.214 1.984 10 0 ADAERN CC(C)(F)C(=O)N1Cc2c[nH]nc2C1 307014455 673951154 /nfs/dbraw/zinc/95/11/54/673951154.db2.gz PBCMBNHKYNHLDV-UHFFFAOYSA-N 0 0 197.213 1.000 10 0 ADAERN COC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 125211941 1169171381 /nfs/dbraw/zinc/17/13/81/1169171381.db2.gz MEQORXZCRGHURV-XLPZGREQSA-N 0 0 169.224 1.531 10 0 ADAERN CC[C@@H](O)CNc1nc(C)cs1 125055307 1169171392 /nfs/dbraw/zinc/17/13/92/1169171392.db2.gz BFZNLEHNVBCJBP-SSDOTTSWSA-N 0 0 186.280 1.634 10 0 ADAERN CC(C)[C@@H](O)CNCC(F)(F)F 124789954 1169171405 /nfs/dbraw/zinc/17/14/05/1169171405.db2.gz LDPHPASPXUAZML-LURJTMIESA-N 0 0 185.189 1.155 10 0 ADAERN CC(C)OC(=O)[C@@H]1CCO[C@H]1C1CC1 722388876 673951283 /nfs/dbraw/zinc/95/12/83/673951283.db2.gz ZTZMSHUGDYNZRE-ZJUUUORDSA-N 0 0 198.262 1.753 10 0 ADAERN COCC(C)(C)Nc1ccccn1 125417864 1169171584 /nfs/dbraw/zinc/17/15/84/1169171584.db2.gz SFOCNXFIEDAAQJ-UHFFFAOYSA-N 0 0 180.251 1.919 10 0 ADAERN CC(C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 722387405 673951497 /nfs/dbraw/zinc/95/14/97/673951497.db2.gz ONFSXRFTUVKBAV-ZJUUUORDSA-N 0 0 197.278 1.326 10 0 ADAERN CC(C)[C@H](O)CNCC(F)(F)F 124789742 1169171937 /nfs/dbraw/zinc/17/19/37/1169171937.db2.gz LDPHPASPXUAZML-ZCFIWIBFSA-N 0 0 185.189 1.155 10 0 ADAERN CCO[C@H](C(=O)OC)C1CCCC1 261105855 673951706 /nfs/dbraw/zinc/95/17/06/673951706.db2.gz AHJCUMDDEFJXKX-VIFPVBQESA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)(CCO)Nc1ncccc1F 125794934 1169172314 /nfs/dbraw/zinc/17/23/14/1169172314.db2.gz KTNNIJCQWFXPSV-UHFFFAOYSA-N 0 0 198.241 1.794 10 0 ADAERN CCC(=O)[C@H](CC)OC 125485045 1169172322 /nfs/dbraw/zinc/17/23/22/1169172322.db2.gz QJEDVPGOFZTRBC-ZETCQYMHSA-N 0 0 130.187 1.391 10 0 ADAERN CN(C)C(=O)C[C@H]1CC=CCC1 231523371 673952188 /nfs/dbraw/zinc/95/21/88/673952188.db2.gz PDDQVZNFYSIUOM-VIFPVBQESA-N 0 0 167.252 1.821 10 0 ADAERN CC(C)(CCO)Nc1cccc(N)c1 125603016 1169172616 /nfs/dbraw/zinc/17/26/16/1169172616.db2.gz SQTKMLZNQYNVBP-UHFFFAOYSA-N 0 0 194.278 1.842 10 0 ADAERN C/C=C\C(=O)N1CCC(=O)[C@@H](C)C1 308289108 673952227 /nfs/dbraw/zinc/95/22/27/673952227.db2.gz GAOMXVDVOBQYHF-VEMNSZJBSA-N 0 0 181.235 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1169191598 /nfs/dbraw/zinc/19/15/98/1169191598.db2.gz KCUSFDHBYILEQK-UHFFFAOYSA-N 0 0 196.250 1.273 10 0 ADAERN C[C@H](NCc1ccon1)C(F)F 228517761 673970538 /nfs/dbraw/zinc/97/05/38/673970538.db2.gz YCBGYGRLLPPJGC-YFKPBYRVSA-N 0 0 176.166 1.418 10 0 ADAERN C[C@@H](NCc1ccon1)C(F)F 228517756 673970542 /nfs/dbraw/zinc/97/05/42/673970542.db2.gz YCBGYGRLLPPJGC-RXMQYKEDSA-N 0 0 176.166 1.418 10 0 ADAERN COCC[C@@H](C)N[C@H](C)C(F)F 228514802 673970547 /nfs/dbraw/zinc/97/05/47/673970547.db2.gz SMROMSXIMLTOEP-RNFRBKRXSA-N 0 0 181.226 1.655 10 0 ADAERN Cc1cc(CN[C@H](C)C(F)F)no1 228511031 673970615 /nfs/dbraw/zinc/97/06/15/673970615.db2.gz IBURSHGELWVYIK-ZCFIWIBFSA-N 0 0 190.193 1.726 10 0 ADAERN CC1(C)C[C@H]1C(=O)N1CCCC1 228630448 673970620 /nfs/dbraw/zinc/97/06/20/673970620.db2.gz CHQLCXXACBFAMN-QMMMGPOBSA-N 0 0 167.252 1.655 10 0 ADAERN C[C@@H](N[C@H](C)C(F)F)c1ncc[nH]1 228522054 673970621 /nfs/dbraw/zinc/97/06/21/673970621.db2.gz MYWSZZTUYSEMML-PHDIDXHHSA-N 0 0 189.209 1.714 10 0 ADAERN C=CC(=O)N1C[C@H](C)C[C@@H]1C 135396462 1169191725 /nfs/dbraw/zinc/19/17/25/1169191725.db2.gz CUVQHEXLMIJDMI-SFYZADRCSA-N 0 0 153.225 1.429 10 0 ADAERN C[C@H](CCO)N[C@H](C)C(F)F 228519813 673970634 /nfs/dbraw/zinc/97/06/34/673970634.db2.gz GNXHOONLMJCBGT-PHDIDXHHSA-N 0 0 167.199 1.001 10 0 ADAERN CO[C@@H]1CCC[C@H]1N[C@@H](C)C(F)F 228511671 673970643 /nfs/dbraw/zinc/97/06/43/673970643.db2.gz SFBFZOANVNNNJN-XLPZGREQSA-N 0 0 193.237 1.797 10 0 ADAERN COCC[C@@H](C)N[C@@H](C)C(F)F 228514788 673970662 /nfs/dbraw/zinc/97/06/62/673970662.db2.gz SMROMSXIMLTOEP-RQJHMYQMSA-N 0 0 181.226 1.655 10 0 ADAERN C[C@H](N[C@H](C)c1ncc[nH]1)C(F)F 228522042 673970720 /nfs/dbraw/zinc/97/07/20/673970720.db2.gz MYWSZZTUYSEMML-NTSWFWBYSA-N 0 0 189.209 1.714 10 0 ADAERN C[C@H](NCc1c[nH]cn1)C(F)F 228515624 673970748 /nfs/dbraw/zinc/97/07/48/673970748.db2.gz SRKVAYMTJCEDGF-YFKPBYRVSA-N 0 0 175.182 1.153 10 0 ADAERN C=CC(=O)N1C[C@H](C)C[C@H]1C 135396504 1169191855 /nfs/dbraw/zinc/19/18/55/1169191855.db2.gz CUVQHEXLMIJDMI-HTQZYQBOSA-N 0 0 153.225 1.429 10 0 ADAERN C=CC(=O)N1C[C@@H](C)C[C@@H]1C 135396483 1169191870 /nfs/dbraw/zinc/19/18/70/1169191870.db2.gz CUVQHEXLMIJDMI-YUMQZZPRSA-N 0 0 153.225 1.429 10 0 ADAERN COCC[C@H](C)N[C@H](C)C(F)F 228514808 673970819 /nfs/dbraw/zinc/97/08/19/673970819.db2.gz SMROMSXIMLTOEP-NKWVEPMBSA-N 0 0 181.226 1.655 10 0 ADAERN Cc1cc(CN[C@@H](C)C(F)F)no1 228511025 673970846 /nfs/dbraw/zinc/97/08/46/673970846.db2.gz IBURSHGELWVYIK-LURJTMIESA-N 0 0 190.193 1.726 10 0 ADAERN CC(=O)NCCCCCn1ccnc1 169945268 673970848 /nfs/dbraw/zinc/97/08/48/673970848.db2.gz XDECKVPSKPLYFE-UHFFFAOYSA-N 0 0 195.266 1.190 10 0 ADAERN C=CC(=O)N1CC[C@@H]2CCCC[C@@H]21 134812588 1169192093 /nfs/dbraw/zinc/19/20/93/1169192093.db2.gz HFOBTYXTAOTKLC-UWVGGRQHSA-N 0 0 179.263 1.964 10 0 ADAERN Cc1cnnc(NCCCCCO)c1 229142979 673971189 /nfs/dbraw/zinc/97/11/89/673971189.db2.gz AISXJJCEUGRTTC-UHFFFAOYSA-N 0 0 195.266 1.360 10 0 ADAERN COC(=O)[C@@H](C)OCc1ccncc1 135514259 1169192575 /nfs/dbraw/zinc/19/25/75/1169192575.db2.gz KASOCFZTZSOEEK-MRVPVSSYSA-N 0 0 195.218 1.160 10 0 ADAERN COC(=O)[C@@H](C)OCc1cccnc1 135517456 1169192600 /nfs/dbraw/zinc/19/26/00/1169192600.db2.gz HSOIXTVLJSEGAG-MRVPVSSYSA-N 0 0 195.218 1.160 10 0 ADAERN COC(=O)[C@@H](C)OCc1ccccn1 135511774 1169192652 /nfs/dbraw/zinc/19/26/52/1169192652.db2.gz LTEBOGZEBYEMHH-MRVPVSSYSA-N 0 0 195.218 1.160 10 0 ADAERN CC1(C)C[C@H]1C(=O)NCCCCCO 229153607 673971540 /nfs/dbraw/zinc/97/15/40/673971540.db2.gz WRDVIOOECIKKJR-VIFPVBQESA-N 0 0 199.294 1.311 10 0 ADAERN CCN(CC1CCC1)S(C)(=O)=O 229178543 673971665 /nfs/dbraw/zinc/97/16/65/673971665.db2.gz GQPQUWXQJMOGNC-UHFFFAOYSA-N 0 0 191.296 1.068 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)C(F)(F)F 231692393 673972231 /nfs/dbraw/zinc/97/22/31/673972231.db2.gz XAIHCQWZSKONJL-WDSKDSINSA-N 0 0 195.184 1.854 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@@H]1CCC 231691165 673972312 /nfs/dbraw/zinc/97/23/12/673972312.db2.gz XIPLHTZXTVADSC-HNEWHRDISA-N 0 0 167.252 1.867 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)C(F)(F)F 231692389 673972314 /nfs/dbraw/zinc/97/23/14/673972314.db2.gz XAIHCQWZSKONJL-RITPCOANSA-N 0 0 195.184 1.854 10 0 ADAERN CCCNC(=S)N(C)CC 136399686 1169193377 /nfs/dbraw/zinc/19/33/77/1169193377.db2.gz ILZRIKIKOVNNJB-UHFFFAOYSA-N 0 0 160.286 1.223 10 0 ADAERN c1ccc(CO[C@@H]2CCOC2)cc1 138015294 1169193407 /nfs/dbraw/zinc/19/34/07/1169193407.db2.gz WQKYFKFXPHPCJF-LLVKDONJSA-N 0 0 178.231 1.992 10 0 ADAERN CCCCNC(=S)N(C)CC 136399425 1169193634 /nfs/dbraw/zinc/19/36/34/1169193634.db2.gz KJJQBCXRYJDQFM-UHFFFAOYSA-N 0 0 174.313 1.613 10 0 ADAERN CCOC1CC2(C1)C[C@@H]2NC(=O)CC 721269396 673972930 /nfs/dbraw/zinc/97/29/30/673972930.db2.gz IRVKXLGSCADJDF-YUCVTWSNSA-N 0 0 197.278 1.470 10 0 ADAERN CCOC1CC2(C1)C[C@H]2NC(=O)CC 721269393 673972966 /nfs/dbraw/zinc/97/29/66/673972966.db2.gz IRVKXLGSCADJDF-INWMGODYSA-N 0 0 197.278 1.470 10 0 ADAERN CCN(C)C(=S)NCC(C)C 136399175 1169193899 /nfs/dbraw/zinc/19/38/99/1169193899.db2.gz YRSSEACGSYPAFQ-UHFFFAOYSA-N 0 0 174.313 1.469 10 0 ADAERN CCCOCCOC(=O)c1cocn1 730695653 673973189 /nfs/dbraw/zinc/97/31/89/673973189.db2.gz DRAAHUJAOGEINB-UHFFFAOYSA-N 0 0 199.206 1.258 10 0 ADAERN CCCOCCOC(=O)c1ccoc1 730697243 673973213 /nfs/dbraw/zinc/97/32/13/673973213.db2.gz DQSPHYAPBFXKSD-UHFFFAOYSA-N 0 0 198.218 1.863 10 0 ADAERN CCN(C)C(=O)NCC(F)(F)F 136407650 1169194104 /nfs/dbraw/zinc/19/41/04/1169194104.db2.gz ZGFMPQHQVMTYDV-UHFFFAOYSA-N 0 0 184.161 1.210 10 0 ADAERN CCCOCCOC(=O)c1ccco1 730697260 673973223 /nfs/dbraw/zinc/97/32/23/673973223.db2.gz FUOVEZVGDCQJJR-UHFFFAOYSA-N 0 0 198.218 1.863 10 0 ADAERN C=CC[C@@H](C)OC(=O)CC 32161359 673973391 /nfs/dbraw/zinc/97/33/91/673973391.db2.gz QTJLXWLLLXXECC-SSDOTTSWSA-N 0 0 142.198 1.904 10 0 ADAERN CC(C)OCCC(=O)N[C@@H](C)C1CC1 914718305 673973423 /nfs/dbraw/zinc/97/34/23/673973423.db2.gz COWPAJIQLRNMQA-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN CCC(=O)O[C@H](C)C(C)C 32161327 673973430 /nfs/dbraw/zinc/97/34/30/673973430.db2.gz RYYMZRUXQWULCT-SSDOTTSWSA-N 0 0 144.214 1.984 10 0 ADAERN C=CC[C@H](C)OC(=O)CC 32161357 673973706 /nfs/dbraw/zinc/97/37/06/673973706.db2.gz QTJLXWLLLXXECC-ZETCQYMHSA-N 0 0 142.198 1.904 10 0 ADAERN CNC(=O)Cc1ccc(Cl)cc1N 137959314 1169194576 /nfs/dbraw/zinc/19/45/76/1169194576.db2.gz VGAVDFWIHUETOY-UHFFFAOYSA-N 0 0 198.653 1.211 10 0 ADAERN COc1cccc(NC(N)=O)c1OC 137680586 1169194841 /nfs/dbraw/zinc/19/48/41/1169194841.db2.gz ABMYDJSNSIXAQV-UHFFFAOYSA-N 0 0 196.206 1.194 10 0 ADAERN COc1ccnc(-c2cccnc2)n1 137744352 1169194911 /nfs/dbraw/zinc/19/49/11/1169194911.db2.gz QPMDMWXBCAPPMX-UHFFFAOYSA-N 0 0 187.202 1.547 10 0 ADAERN C[C@@H](F)CCNC(=O)C(F)F 702602294 673981283 /nfs/dbraw/zinc/98/12/83/673981283.db2.gz LZTHZIXEJYABFX-SCSAIBSYSA-N 0 0 169.146 1.116 10 0 ADAERN C=CC(=O)N1CCCC(F)(F)CC1 702795605 673981284 /nfs/dbraw/zinc/98/12/84/673981284.db2.gz ATFIFXSDEZURRQ-UHFFFAOYSA-N 0 0 189.205 1.820 10 0 ADAERN COc1ccc(-c2cccnc2)nn1 137502985 1169195085 /nfs/dbraw/zinc/19/50/85/1169195085.db2.gz VBHBRAKSUQCHAW-UHFFFAOYSA-N 0 0 187.202 1.547 10 0 ADAERN CCc1nnc(CC)o1 137975248 1169195307 /nfs/dbraw/zinc/19/53/07/1169195307.db2.gz GDHAVOCWGPYRCQ-UHFFFAOYSA-N 0 0 126.159 1.194 10 0 ADAERN Cc1ccc([C@H](C)N[C@H]2CNOC2)o1 703326666 673981907 /nfs/dbraw/zinc/98/19/07/673981907.db2.gz YSRPQOYUYCKQCM-IUCAKERBSA-N 0 0 196.250 1.142 10 0 ADAERN CCCN(C)C(=O)NCC(F)(F)F 136311117 1169195323 /nfs/dbraw/zinc/19/53/23/1169195323.db2.gz QYKBETPFLDGJCS-UHFFFAOYSA-N 0 0 198.188 1.600 10 0 ADAERN CSCCC(=O)Nc1cccnn1 243497977 673974807 /nfs/dbraw/zinc/97/48/07/673974807.db2.gz NTSWTTVTOWLAEU-UHFFFAOYSA-N 0 0 197.263 1.168 10 0 ADAERN COC(=O)Cc1cc(F)cc(OC)c1 137537673 1169195423 /nfs/dbraw/zinc/19/54/23/1169195423.db2.gz KTJFGMKBXRSHFX-UHFFFAOYSA-N 0 0 198.193 1.550 10 0 ADAERN CCC(CC)N(C)C(=O)OC 136235482 1169195427 /nfs/dbraw/zinc/19/54/27/1169195427.db2.gz AABGDIGBXZLAKO-UHFFFAOYSA-N 0 0 159.229 1.873 10 0 ADAERN O=c1ccccn1-c1cccnc1 136253624 1169195567 /nfs/dbraw/zinc/19/55/67/1169195567.db2.gz TWJXQRDYHZADOB-UHFFFAOYSA-N 0 0 172.187 1.233 10 0 ADAERN CCC1(CC)CCCN1C(=O)NC 722004938 673975212 /nfs/dbraw/zinc/97/52/12/673975212.db2.gz VSXFVCCFOWSUSN-UHFFFAOYSA-N 0 0 184.283 1.980 10 0 ADAERN CCC(=O)NC[C@@H]1C[C@H]1C(F)(F)F 921617699 673975565 /nfs/dbraw/zinc/97/55/65/673975565.db2.gz AQXITIXFFHPXIO-NTSWFWBYSA-N 0 0 195.184 1.711 10 0 ADAERN CCOC(=O)[C@@H](N)C[Si](C)(C)C 196196681 673975572 /nfs/dbraw/zinc/97/55/72/673975572.db2.gz DEGZAKARWGMOJO-ZETCQYMHSA-N 0 0 189.331 1.215 10 0 ADAERN CCC(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 921614924 673975608 /nfs/dbraw/zinc/97/56/08/673975608.db2.gz NBHIBDYUVQKFGT-AEJSXWLSSA-N 0 0 195.262 1.104 10 0 ADAERN CCCCNc1cnc(F)cn1 725344888 673975861 /nfs/dbraw/zinc/97/58/61/673975861.db2.gz BEWSIKPCQGKSOE-UHFFFAOYSA-N 0 0 169.203 1.828 10 0 ADAERN Cc1ncccc1-c1cnc(N)nc1 139148861 1169196536 /nfs/dbraw/zinc/19/65/36/1169196536.db2.gz RVTIDQGTFPZRGE-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(C)[C@@]([NH3+])(CC(=O)[O-])C1CC1 84443172 673975959 /nfs/dbraw/zinc/97/59/59/673975959.db2.gz ASNPFQMHYMSZOK-VIFPVBQESA-N 0 0 171.240 1.225 10 0 ADAERN CC(C)[C@]([NH3+])(CC(=O)[O-])C1CC1 84443174 673975979 /nfs/dbraw/zinc/97/59/79/673975979.db2.gz ASNPFQMHYMSZOK-SECBINFHSA-N 0 0 171.240 1.225 10 0 ADAERN COC(=O)/C=C/c1cccc(OC)n1 84817903 673976136 /nfs/dbraw/zinc/97/61/36/673976136.db2.gz BQBVRFQRZQUANE-VOTSOKGWSA-N 0 0 193.202 1.276 10 0 ADAERN CCOC(=O)CCc1ccccc1N 139020779 1169196734 /nfs/dbraw/zinc/19/67/34/1169196734.db2.gz YDATWQWXAZIABW-UHFFFAOYSA-N 0 0 193.246 1.765 10 0 ADAERN CCOC(=O)/C=C/c1cncn1CC 84818013 673976175 /nfs/dbraw/zinc/97/61/75/673976175.db2.gz OSYFSJZECYGIAD-AATRIKPKSA-N 0 0 194.234 1.479 10 0 ADAERN Fc1nccnc1N1C[C@H]2CCC[C@@H]21 706895450 673976333 /nfs/dbraw/zinc/97/63/33/673976333.db2.gz BGLAPZPESAIZOL-SFYZADRCSA-N 0 0 193.225 1.604 10 0 ADAERN Fc1cc(N2C[C@@H]3CCC[C@@H]32)ncn1 706881171 673976335 /nfs/dbraw/zinc/97/63/35/673976335.db2.gz JQZZUNHLLHRSHQ-YUMQZZPRSA-N 0 0 193.225 1.604 10 0 ADAERN Fc1nccnc1N1C[C@@H]2CCC[C@H]21 706895433 673976339 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/nfs/dbraw/zinc/02/20/59/674022059.db2.gz DKHAYNILJDZXAP-ZETCQYMHSA-N 0 0 184.308 1.413 10 0 ADAERN COC(=O)Cc1ccc(C)cc1F 148034890 1169239942 /nfs/dbraw/zinc/23/99/42/1169239942.db2.gz FLPUVZYNPPHUJF-UHFFFAOYSA-N 0 0 182.194 1.850 10 0 ADAERN Cc1cc(N[C@H]2CC23CC3)nc(F)n1 715586406 674022066 /nfs/dbraw/zinc/02/20/66/674022066.db2.gz YYUWEQJIDAJRAN-ZETCQYMHSA-N 0 0 193.225 1.889 10 0 ADAERN c1cn(C[C@@H]2CC[C@H](C3CC3)O2)nn1 715393317 674022075 /nfs/dbraw/zinc/02/20/75/674022075.db2.gz MSLMQJZBEKVYCS-VHSXEESVSA-N 0 0 193.250 1.236 10 0 ADAERN Fc1nccnc1N[C@H]1CC12CC2 715577370 674022077 /nfs/dbraw/zinc/02/20/77/674022077.db2.gz DRMWXHRYCTZWEN-LURJTMIESA-N 0 0 179.198 1.580 10 0 ADAERN Cc1c[nH]nc1Cn1ccnc1C 715489559 674022101 /nfs/dbraw/zinc/02/21/01/674022101.db2.gz VYLWYNUBHJBFGN-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN CC(C)NC(=S)N[C@H]1CC12CC2 715548541 674022112 /nfs/dbraw/zinc/02/21/12/674022112.db2.gz MJTNIKPTEZRTOG-ZETCQYMHSA-N 0 0 184.308 1.411 10 0 ADAERN Fc1cc(N[C@H]2CC23CC3)ncn1 715556984 674022115 /nfs/dbraw/zinc/02/21/15/674022115.db2.gz ZCIRTZCPUBUFDK-LURJTMIESA-N 0 0 179.198 1.580 10 0 ADAERN CC(C)CNC(=S)N[C@H]1CC12CC2 715551349 674022122 /nfs/dbraw/zinc/02/21/22/674022122.db2.gz WRIFKFIEGQFDRL-QMMMGPOBSA-N 0 0 198.335 1.659 10 0 ADAERN CC(=O)N1CC[C@H](c2nccs2)C1 715368201 674022168 /nfs/dbraw/zinc/02/21/68/674022168.db2.gz HBPCSPYKHCILRG-QMMMGPOBSA-N 0 0 196.275 1.479 10 0 ADAERN CCONC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716477373 674024941 /nfs/dbraw/zinc/02/49/41/674024941.db2.gz IEHSIYMYGCXXAC-JQCXWYLXSA-N 0 0 183.251 1.346 10 0 ADAERN Cc1c[nH]nc1CS[C@H](C)CO 715382303 674022210 /nfs/dbraw/zinc/02/22/10/674022210.db2.gz MJHCAKBSRAHBBA-SSDOTTSWSA-N 0 0 186.280 1.332 10 0 ADAERN Cc1cc(N[C@@H]2CC23CC3)nc(F)n1 715586404 674022224 /nfs/dbraw/zinc/02/22/24/674022224.db2.gz YYUWEQJIDAJRAN-SSDOTTSWSA-N 0 0 193.225 1.889 10 0 ADAERN c1cn(C[C@H]2CC[C@@H](C3CC3)O2)nn1 715393319 674022230 /nfs/dbraw/zinc/02/22/30/674022230.db2.gz MSLMQJZBEKVYCS-ZJUUUORDSA-N 0 0 193.250 1.236 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716475955 674024944 /nfs/dbraw/zinc/02/49/44/674024944.db2.gz FACHWDSJLYJYPL-AXTSPUMRSA-N 0 0 181.279 1.803 10 0 ADAERN Fc1cc(N[C@@H]2CC23CC3)ncn1 715556985 674022273 /nfs/dbraw/zinc/02/22/73/674022273.db2.gz ZCIRTZCPUBUFDK-ZCFIWIBFSA-N 0 0 179.198 1.580 10 0 ADAERN Cc1c[nH]nc1CS[C@@H](C)CO 715382305 674022284 /nfs/dbraw/zinc/02/22/84/674022284.db2.gz MJHCAKBSRAHBBA-ZETCQYMHSA-N 0 0 186.280 1.332 10 0 ADAERN C/C=C\C(=O)N1C[C@@H]2[C@H](C1)C2(F)F 715535985 674022298 /nfs/dbraw/zinc/02/22/98/674022298.db2.gz GGKFXPHWWDOSFK-SSWQERKWSA-N 0 0 187.189 1.286 10 0 ADAERN Cc1c[nH]nc1CSCCCO 715381621 674022326 /nfs/dbraw/zinc/02/23/26/674022326.db2.gz JNGDCZNNOKFBOZ-UHFFFAOYSA-N 0 0 186.280 1.334 10 0 ADAERN O=C(N[C@H]1CC12CC2)N1CCCCC1 715556319 674022369 /nfs/dbraw/zinc/02/23/69/674022369.db2.gz SVGAOEMMLRYTGN-VIFPVBQESA-N 0 0 194.278 1.734 10 0 ADAERN Cc1c[nH]nc1Cn1cnc(C)c1C 715492351 674022374 /nfs/dbraw/zinc/02/23/74/674022374.db2.gz KLVDQXPJOKARBZ-UHFFFAOYSA-N 0 0 190.250 1.580 10 0 ADAERN CCCNC(=S)N[C@@H]1CC12CC2 715547130 674022390 /nfs/dbraw/zinc/02/23/90/674022390.db2.gz DKHAYNILJDZXAP-SSDOTTSWSA-N 0 0 184.308 1.413 10 0 ADAERN O=C(N[C@@H]1CC12CC2)N1CCCC1 715555334 674022418 /nfs/dbraw/zinc/02/24/18/674022418.db2.gz OWRBYMATOPPPLQ-MRVPVSSYSA-N 0 0 180.251 1.344 10 0 ADAERN CCNC(=S)N[C@@H]1CC12CC2 715550662 674022419 /nfs/dbraw/zinc/02/24/19/674022419.db2.gz SHHBQLRZBUXJKC-ZCFIWIBFSA-N 0 0 170.281 1.023 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CC12CC2 715691741 674022428 /nfs/dbraw/zinc/02/24/28/674022428.db2.gz KCYRVUHKHFKEMM-QMMMGPOBSA-N 0 0 165.236 1.621 10 0 ADAERN CCCCNC(=S)N[C@@H]1CC12CC2 715547910 674022452 /nfs/dbraw/zinc/02/24/52/674022452.db2.gz IBLLVJKSQZXRRQ-MRVPVSSYSA-N 0 0 198.335 1.803 10 0 ADAERN C/C=C\C(=O)N[C@H]1CC12CC2 715692299 674022484 /nfs/dbraw/zinc/02/24/84/674022484.db2.gz MFKHVGNDBLZEJS-XDVGHUOJSA-N 0 0 151.209 1.231 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1CC12CC2 715691740 674022493 /nfs/dbraw/zinc/02/24/93/674022493.db2.gz KCYRVUHKHFKEMM-MRVPVSSYSA-N 0 0 165.236 1.621 10 0 ADAERN C/C=C/C(=O)N1C[C@@H]2[C@H](C1)C2(F)F 715535983 674022494 /nfs/dbraw/zinc/02/24/94/674022494.db2.gz GGKFXPHWWDOSFK-KUWHSHSISA-N 0 0 187.189 1.286 10 0 ADAERN CCc1nccn1Cc1n[nH]cc1C 715495297 674022505 /nfs/dbraw/zinc/02/25/05/674022505.db2.gz ZKDHICODAPANEJ-UHFFFAOYSA-N 0 0 190.250 1.525 10 0 ADAERN c1cn(C[C@@H]2CC[C@@H](C3CC3)O2)nn1 715393314 674022519 /nfs/dbraw/zinc/02/25/19/674022519.db2.gz MSLMQJZBEKVYCS-UWVGGRQHSA-N 0 0 193.250 1.236 10 0 ADAERN S=C(NC1CC1)N[C@H]1CC12CC2 715547958 674022521 /nfs/dbraw/zinc/02/25/21/674022521.db2.gz JKTVELUFSAUWJD-ZETCQYMHSA-N 0 0 182.292 1.165 10 0 ADAERN CC(C)NC(=S)N[C@@H]1CC12CC2 715548540 674022522 /nfs/dbraw/zinc/02/25/22/674022522.db2.gz MJTNIKPTEZRTOG-SSDOTTSWSA-N 0 0 184.308 1.411 10 0 ADAERN CC(C)CNC(=S)N[C@@H]1CC12CC2 715551348 674022529 /nfs/dbraw/zinc/02/25/29/674022529.db2.gz WRIFKFIEGQFDRL-MRVPVSSYSA-N 0 0 198.335 1.659 10 0 ADAERN CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716445997 674024981 /nfs/dbraw/zinc/02/49/81/674024981.db2.gz BJBIDBNDTVJJGL-JQCXWYLXSA-N 0 0 168.236 1.842 10 0 ADAERN CC(C)Oc1cc[nH]c(=S)n1 147816547 1169240477 /nfs/dbraw/zinc/24/04/77/1169240477.db2.gz WPRPBKFZWVQDTB-UHFFFAOYSA-N 0 0 170.237 1.926 10 0 ADAERN CC[C@H](C)OC(=O)N1CCC(=O)CC1 148037098 1169240555 /nfs/dbraw/zinc/24/05/55/1169240555.db2.gz UBVQZPMYJSYIHI-QMMMGPOBSA-N 0 0 199.250 1.586 10 0 ADAERN CNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716473242 674024991 /nfs/dbraw/zinc/02/49/91/674024991.db2.gz JQAZMBIQDCLTPV-RULNZFCNSA-N 0 0 153.225 1.025 10 0 ADAERN CNC(=O)N[C@@H](C)c1ccns1 716362367 674024992 /nfs/dbraw/zinc/02/49/92/674024992.db2.gz KQNMQDQBGLYWJE-YFKPBYRVSA-N 0 0 185.252 1.133 10 0 ADAERN CC(C)(O)C(=O)NCCCCC1CC1 716379618 674024993 /nfs/dbraw/zinc/02/49/93/674024993.db2.gz PHOPFJWZXUGWLH-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CCNC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716476177 674024995 /nfs/dbraw/zinc/02/49/95/674024995.db2.gz FWMJXDFTZRAELP-BZNPZCIMSA-N 0 0 167.252 1.415 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716475442 674024999 /nfs/dbraw/zinc/02/49/99/674024999.db2.gz DEDUYIDYWUWYOV-JQCXWYLXSA-N 0 0 183.251 1.298 10 0 ADAERN CCONC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716477375 674025001 /nfs/dbraw/zinc/02/50/01/674025001.db2.gz IEHSIYMYGCXXAC-RBXMUDONSA-N 0 0 183.251 1.346 10 0 ADAERN C[C@@H]([NH2+][C@H]1CC12CC2)c1cn(C)nn1 715883278 674022832 /nfs/dbraw/zinc/02/28/32/674022832.db2.gz NAUSAGXXPMVVJK-APPZFPTMSA-N 0 0 192.266 1.018 10 0 ADAERN OCCO[C@@H]1CCC=CCCC1 147871705 1169240670 /nfs/dbraw/zinc/24/06/70/1169240670.db2.gz NFMXXBBCDIEIJX-SNVBAGLBSA-N 0 0 170.252 1.884 10 0 ADAERN C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)C(=O)[O-] 716439786 674025005 /nfs/dbraw/zinc/02/50/05/674025005.db2.gz VTIIHRSBTCKCEI-WLRJLXCNSA-N 0 0 197.278 1.341 10 0 ADAERN CC1CC([NH2+][C@@H](C)c2cn(C)nn2)C1 715881943 674022870 /nfs/dbraw/zinc/02/28/70/674022870.db2.gz ZXPOFMLOWUKKCS-MGURRDGZSA-N 0 0 194.282 1.264 10 0 ADAERN COCC[NH2+][C@H](C)c1ccns1 715897771 674022891 /nfs/dbraw/zinc/02/28/91/674022891.db2.gz FMZYVPLJSXBGIV-SSDOTTSWSA-N 0 0 186.280 1.440 10 0 ADAERN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cn(C)nn1 715883287 674022893 /nfs/dbraw/zinc/02/28/93/674022893.db2.gz NAUSAGXXPMVVJK-VXNVDRBHSA-N 0 0 192.266 1.018 10 0 ADAERN COCC[NH2+][C@@H](C)c1ccns1 715897774 674022901 /nfs/dbraw/zinc/02/29/01/674022901.db2.gz FMZYVPLJSXBGIV-ZETCQYMHSA-N 0 0 186.280 1.440 10 0 ADAERN C[C@H]([NH2+][C@H]1CCOC1)c1ccns1 715900429 674022903 /nfs/dbraw/zinc/02/29/03/674022903.db2.gz SBKXGLSILLYILI-YUMQZZPRSA-N 0 0 198.291 1.583 10 0 ADAERN CCNC(=O)NCCCCC1CC1 716371089 674025013 /nfs/dbraw/zinc/02/50/13/674025013.db2.gz VNEAVWXPWPRSEI-UHFFFAOYSA-N 0 0 184.283 1.886 10 0 ADAERN C[C@H]([NH2+][C@@H]1CCOC1)c1ccns1 715900427 674022948 /nfs/dbraw/zinc/02/29/48/674022948.db2.gz SBKXGLSILLYILI-JGVFFNPUSA-N 0 0 198.291 1.583 10 0 ADAERN C[C@@H]([NH2+]C1CC1)c1ccns1 715900395 674023006 /nfs/dbraw/zinc/02/30/06/674023006.db2.gz RNUOLXXMZKJWKK-ZCFIWIBFSA-N 0 0 168.265 1.956 10 0 ADAERN C[C@H]([NH2+][C@H]1CC12CC2)c1cn(C)nn1 715883281 674023033 /nfs/dbraw/zinc/02/30/33/674023033.db2.gz NAUSAGXXPMVVJK-CBAPKCEASA-N 0 0 192.266 1.018 10 0 ADAERN CC1CC([NH2+][C@H](C)c2cn(C)nn2)C1 715881944 674023046 /nfs/dbraw/zinc/02/30/46/674023046.db2.gz ZXPOFMLOWUKKCS-QJAFJHJLSA-N 0 0 194.282 1.264 10 0 ADAERN C[C@@H]([NH2+][C@@H]1CCOC1)c1ccns1 715900426 674023109 /nfs/dbraw/zinc/02/31/09/674023109.db2.gz SBKXGLSILLYILI-HTQZYQBOSA-N 0 0 198.291 1.583 10 0 ADAERN C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)C(=O)[O-] 716439787 674025031 /nfs/dbraw/zinc/02/50/31/674025031.db2.gz VTIIHRSBTCKCEI-WYCDGMCDSA-N 0 0 197.278 1.341 10 0 ADAERN C[C@@H]([NH2+][C@H]1CCOC1)c1ccns1 715900428 674023314 /nfs/dbraw/zinc/02/33/14/674023314.db2.gz SBKXGLSILLYILI-SFYZADRCSA-N 0 0 198.291 1.583 10 0 ADAERN NC(=O)NC[C@H]1CCC2(CCC2)CO1 716558193 674025041 /nfs/dbraw/zinc/02/50/41/674025041.db2.gz QXGLTFXZVOHJEV-MRVPVSSYSA-N 0 0 198.266 1.004 10 0 ADAERN O=Cc1ccc(OCCO)cc1F 147734627 1169241026 /nfs/dbraw/zinc/24/10/26/1169241026.db2.gz AHBUQRJSBJCNOO-UHFFFAOYSA-N 0 0 184.166 1.009 10 0 ADAERN CCONC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716477370 674025048 /nfs/dbraw/zinc/02/50/48/674025048.db2.gz IEHSIYMYGCXXAC-BZNPZCIMSA-N 0 0 183.251 1.346 10 0 ADAERN C[C@@H](NC(=O)N(C)C)c1ccns1 716363106 674025049 /nfs/dbraw/zinc/02/50/49/674025049.db2.gz NDRXLQZVIGTBQL-ZCFIWIBFSA-N 0 0 199.279 1.475 10 0 ADAERN CCC[C@H](C)OC[C@H](C)O 147753634 1169241172 /nfs/dbraw/zinc/24/11/72/1169241172.db2.gz HGERSUQOJQWENV-YUMQZZPRSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H](NC(=O)N(C)C)c1ccns1 716363105 674025052 /nfs/dbraw/zinc/02/50/52/674025052.db2.gz NDRXLQZVIGTBQL-LURJTMIESA-N 0 0 199.279 1.475 10 0 ADAERN CCNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716476579 674025056 /nfs/dbraw/zinc/02/50/56/674025056.db2.gz FWMJXDFTZRAELP-FNCVBFRFSA-N 0 0 167.252 1.415 10 0 ADAERN 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IALXEOWIRNAEDA-YUCVTWSNSA-N 0 0 196.246 1.509 10 0 ADAERN CC(C)=CCOC(=O)c1cccnn1 860263375 674040714 /nfs/dbraw/zinc/04/07/14/674040714.db2.gz PYTBAFJTVGXOMH-UHFFFAOYSA-N 0 0 192.218 1.600 10 0 ADAERN O=C(OCc1ccno1)C12CC(C1)C2 860268419 674040716 /nfs/dbraw/zinc/04/07/16/674040716.db2.gz NNHKZRXBETZULP-UHFFFAOYSA-N 0 0 193.202 1.518 10 0 ADAERN O=C(OCCC1CC1)c1cccnn1 860262274 674040717 /nfs/dbraw/zinc/04/07/17/674040717.db2.gz BZYRHKOVCVAILH-UHFFFAOYSA-N 0 0 192.218 1.434 10 0 ADAERN O=C(OCC1CC1)c1cccnn1 860264562 674040718 /nfs/dbraw/zinc/04/07/18/674040718.db2.gz VZYSLILVZDIDLR-UHFFFAOYSA-N 0 0 178.191 1.043 10 0 ADAERN CC[C@@H](C)OC(=O)c1cccnn1 860264087 674040719 /nfs/dbraw/zinc/04/07/19/674040719.db2.gz OTMMVCXLEHCLPY-SSDOTTSWSA-N 0 0 180.207 1.432 10 0 ADAERN CC[C@H](C)COC(=O)c1cccnn1 860264458 674040720 /nfs/dbraw/zinc/04/07/20/674040720.db2.gz VBESJVFYEHCOIO-QMMMGPOBSA-N 0 0 194.234 1.680 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)c1cccnn1 860263130 674040722 /nfs/dbraw/zinc/04/07/22/674040722.db2.gz ZDNVQRQOUPCHDS-SFYZADRCSA-N 0 0 192.218 1.289 10 0 ADAERN OCCNc1cc2ccccc2[nH]1 201410850 674040723 /nfs/dbraw/zinc/04/07/23/674040723.db2.gz RDDFCUPMKORJRS-UHFFFAOYSA-N 0 0 176.219 1.572 10 0 ADAERN O=C(OCCCCO)C12CC(C1)C2 860271148 674040725 /nfs/dbraw/zinc/04/07/25/674040725.db2.gz MECQFGRBEDJKAF-UHFFFAOYSA-N 0 0 184.235 1.102 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)c1cccnn1 860263129 674040821 /nfs/dbraw/zinc/04/08/21/674040821.db2.gz ZDNVQRQOUPCHDS-JGVFFNPUSA-N 0 0 192.218 1.289 10 0 ADAERN CC[C@H](C)OC(=O)c1cccnn1 860264088 674040827 /nfs/dbraw/zinc/04/08/27/674040827.db2.gz OTMMVCXLEHCLPY-ZETCQYMHSA-N 0 0 180.207 1.432 10 0 ADAERN O=C(OCCCCF)c1cccnn1 860263505 674040863 /nfs/dbraw/zinc/04/08/63/674040863.db2.gz UROADVNNGDQSAI-UHFFFAOYSA-N 0 0 198.197 1.383 10 0 ADAERN CCOC(=O)CCOC(=O)C(C)C 201422600 674040877 /nfs/dbraw/zinc/04/08/77/674040877.db2.gz HMMRTVBFYOTYEN-UHFFFAOYSA-N 0 0 188.223 1.139 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)c1cccnn1 860263128 674040886 /nfs/dbraw/zinc/04/08/86/674040886.db2.gz ZDNVQRQOUPCHDS-HTQZYQBOSA-N 0 0 192.218 1.289 10 0 ADAERN CC(C)CCOC(=O)c1cccnn1 860265834 674040921 /nfs/dbraw/zinc/04/09/21/674040921.db2.gz XJUPFQSYHAAQRG-UHFFFAOYSA-N 0 0 194.234 1.680 10 0 ADAERN O=C(OC1CCCC1)c1cccnn1 860263973 674040939 /nfs/dbraw/zinc/04/09/39/674040939.db2.gz KOMGUFKOGABFPI-UHFFFAOYSA-N 0 0 192.218 1.576 10 0 ADAERN CC(C)COC(=O)c1cccnn1 860264901 674040944 /nfs/dbraw/zinc/04/09/44/674040944.db2.gz HDEYFOOOPIUUGO-UHFFFAOYSA-N 0 0 180.207 1.289 10 0 ADAERN CCC(CC)OC(=O)c1cccnn1 860263486 674040956 /nfs/dbraw/zinc/04/09/56/674040956.db2.gz UDKKRIQSIPTCDZ-UHFFFAOYSA-N 0 0 194.234 1.822 10 0 ADAERN CCCCCOC(=O)c1cccnn1 860263533 674040961 /nfs/dbraw/zinc/04/09/61/674040961.db2.gz VLTLJMPKLSALQE-UHFFFAOYSA-N 0 0 194.234 1.824 10 0 ADAERN CC[C@@H](C)COC(=O)c1cccnn1 860264456 674040992 /nfs/dbraw/zinc/04/09/92/674040992.db2.gz VBESJVFYEHCOIO-MRVPVSSYSA-N 0 0 194.234 1.680 10 0 ADAERN CCOC(=O)c1nnc([C@H]2C[C@@H]2C)o1 159297009 1169259800 /nfs/dbraw/zinc/25/98/00/1169259800.db2.gz QEFHQCBOSFXAPA-WDSKDSINSA-N 0 0 196.206 1.370 10 0 ADAERN CC1(C)CC[C@@H]1C(=O)Nn1cccn1 862769100 674041126 /nfs/dbraw/zinc/04/11/26/674041126.db2.gz CHIFFGZYQDYMEZ-MRVPVSSYSA-N 0 0 193.250 1.389 10 0 ADAERN CCC(CC)CC(=O)Nn1cccn1 862768558 674041132 /nfs/dbraw/zinc/04/11/32/674041132.db2.gz KAOVIMZGLRBIMW-UHFFFAOYSA-N 0 0 195.266 1.780 10 0 ADAERN CC/C(C)=C(\C)C(=O)Nn1cccn1 862768879 674041152 /nfs/dbraw/zinc/04/11/52/674041152.db2.gz SXSZQVLDRLQPEF-CMDGGOBGSA-N 0 0 193.250 1.700 10 0 ADAERN CCC1(C(=O)Nn2cccn2)CCC1 862768415 674041159 /nfs/dbraw/zinc/04/11/59/674041159.db2.gz FUGWORJNWGZWSU-UHFFFAOYSA-N 0 0 193.250 1.534 10 0 ADAERN CC1(C(=O)Nn2cccn2)CCC1 862769008 674041161 /nfs/dbraw/zinc/04/11/61/674041161.db2.gz XPFYKCWDIKPKPI-UHFFFAOYSA-N 0 0 179.223 1.143 10 0 ADAERN C[C@H]1CC[C@H](C(=O)Nn2cccn2)C1 862768950 674041167 /nfs/dbraw/zinc/04/11/67/674041167.db2.gz WBSKQYLTLRJRCD-IUCAKERBSA-N 0 0 193.250 1.389 10 0 ADAERN O=C(CCC1CCC1)Nn1cccn1 862768311 674041182 /nfs/dbraw/zinc/04/11/82/674041182.db2.gz CWDCGDZDFHAECR-UHFFFAOYSA-N 0 0 193.250 1.534 10 0 ADAERN CC[C@H](SC)C(=O)Nn1cccn1 862768464 674041190 /nfs/dbraw/zinc/04/11/90/674041190.db2.gz HAZZXGAVTRALBX-ZETCQYMHSA-N 0 0 199.279 1.095 10 0 ADAERN CC1(C)CC[C@H]1C(=O)Nn1cccn1 862769101 674041192 /nfs/dbraw/zinc/04/11/92/674041192.db2.gz CHIFFGZYQDYMEZ-QMMMGPOBSA-N 0 0 193.250 1.389 10 0 ADAERN O=C(Nn1cccn1)C1=CCCC1 862768460 674041194 /nfs/dbraw/zinc/04/11/94/674041194.db2.gz GZGPZZFSEFNKGO-UHFFFAOYSA-N 0 0 177.207 1.064 10 0 ADAERN CC/C(C)=C(/C)C(=O)Nn1cccn1 862768880 674041197 /nfs/dbraw/zinc/04/11/97/674041197.db2.gz SXSZQVLDRLQPEF-HJWRWDBZSA-N 0 0 193.250 1.700 10 0 ADAERN CCC(=CC(=O)Nn1cccn1)CC 862768628 674041206 /nfs/dbraw/zinc/04/12/06/674041206.db2.gz MAUPSEJTJSQKSN-UHFFFAOYSA-N 0 0 193.250 1.700 10 0 ADAERN CS[C@H](C)CC(=O)Nn1cccn1 862768800 674041208 /nfs/dbraw/zinc/04/12/08/674041208.db2.gz QXTXNFNNOSVXFX-SSDOTTSWSA-N 0 0 199.279 1.095 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)Nn2cccn2)C1 862768949 674041210 /nfs/dbraw/zinc/04/12/10/674041210.db2.gz WBSKQYLTLRJRCD-DTWKUNHWSA-N 0 0 193.250 1.389 10 0 ADAERN CC[C@@H](SC)C(=O)Nn1cccn1 862768463 674041215 /nfs/dbraw/zinc/04/12/15/674041215.db2.gz HAZZXGAVTRALBX-SSDOTTSWSA-N 0 0 199.279 1.095 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)Nn2cccn2)C1 862768948 674041216 /nfs/dbraw/zinc/04/12/16/674041216.db2.gz WBSKQYLTLRJRCD-BDAKNGLRSA-N 0 0 193.250 1.389 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)Nn2cccn2)C1 862768952 674041217 /nfs/dbraw/zinc/04/12/17/674041217.db2.gz WBSKQYLTLRJRCD-RKDXNWHRSA-N 0 0 193.250 1.389 10 0 ADAERN CS[C@@H](C)CC(=O)Nn1cccn1 862768801 674041219 /nfs/dbraw/zinc/04/12/19/674041219.db2.gz QXTXNFNNOSVXFX-ZETCQYMHSA-N 0 0 199.279 1.095 10 0 ADAERN O=C(C=C1CCC1)Nn1cccn1 862768608 674041220 /nfs/dbraw/zinc/04/12/20/674041220.db2.gz LHLSCAITYRILSX-UHFFFAOYSA-N 0 0 177.207 1.064 10 0 ADAERN CC(C)CCCC(=O)Nn1cccn1 862769413 674041221 /nfs/dbraw/zinc/04/12/21/674041221.db2.gz FYRCIFKUMYOYMJ-UHFFFAOYSA-N 0 0 195.266 1.780 10 0 ADAERN Cn1cc(-c2cc(N)ccc2F)cn1 160056923 1169260158 /nfs/dbraw/zinc/26/01/58/1169260158.db2.gz ODPPFFZYOVCNEI-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN CCOc1cccnc1NC[C@H](C)O 160204619 1169260185 /nfs/dbraw/zinc/26/01/85/1169260185.db2.gz NOSLAIMXUWKGHT-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN CCCc1nnc(C(=O)OCC)o1 159296713 1169260237 /nfs/dbraw/zinc/26/02/37/1169260237.db2.gz QQOYHOPAWIKBAD-UHFFFAOYSA-N 0 0 184.195 1.199 10 0 ADAERN CCOC(=O)c1nnc([C@@H]2C[C@@H]2C)o1 159296875 1169260247 /nfs/dbraw/zinc/26/02/47/1169260247.db2.gz QEFHQCBOSFXAPA-NTSWFWBYSA-N 0 0 196.206 1.370 10 0 ADAERN C/C=C\CNC(=O)C[C@@H]1CCCOC1 863114366 674041490 /nfs/dbraw/zinc/04/14/90/674041490.db2.gz HWHZFJSXJGINOF-ZMWSMAPVSA-N 0 0 197.278 1.495 10 0 ADAERN CC=CCNC(=O)c1c[nH]c(=S)[nH]1 863115370 674041513 /nfs/dbraw/zinc/04/15/13/674041513.db2.gz MDOWXFNLUQEJNR-NSCUHMNNSA-N 0 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/nfs/dbraw/zinc/04/15/67/674041567.db2.gz MDOWXFNLUQEJNR-IHWYPQMZSA-N 0 0 197.263 1.004 10 0 ADAERN C/C=C/CNC(=O)C[C@@H]1CCCOC1 863114364 674041569 /nfs/dbraw/zinc/04/15/69/674041569.db2.gz HWHZFJSXJGINOF-PBKGFPTLSA-N 0 0 197.278 1.495 10 0 ADAERN C/C=C/CNC(=O)c1[nH]ccc1C 863114444 674041575 /nfs/dbraw/zinc/04/15/75/674041575.db2.gz KATUXIZCZGBQRF-ONEGZZNKSA-N 0 0 178.235 1.629 10 0 ADAERN C/C=C/CNC(=O)C[C@H]1CCCOC1 863114365 674041583 /nfs/dbraw/zinc/04/15/83/674041583.db2.gz HWHZFJSXJGINOF-VMZHVLLKSA-N 0 0 197.278 1.495 10 0 ADAERN C/C=C\CNC(=O)C(C)(Cl)Cl 863115478 674041584 /nfs/dbraw/zinc/04/15/84/674041584.db2.gz PYFFTVMNWVCYGP-ARJAWSKDSA-N 0 0 196.077 1.873 10 0 ADAERN C/C=C\CNC(=O)[C@H](F)C(C)C 863115178 674041588 /nfs/dbraw/zinc/04/15/88/674041588.db2.gz FUTYUSKMDJVBLG-PULIVWKDSA-N 0 0 173.231 1.673 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1CCC=CO1 863115545 674041594 /nfs/dbraw/zinc/04/15/94/674041594.db2.gz RVXPUXISPQQMRR-XADBCAIWSA-N 0 0 181.235 1.371 10 0 ADAERN C/C=C\CNC(=O)c1[nH]ccc1C 863114443 674041595 /nfs/dbraw/zinc/04/15/95/674041595.db2.gz KATUXIZCZGBQRF-ARJAWSKDSA-N 0 0 178.235 1.629 10 0 ADAERN CCOC(=O)c1nnc([C@H]2C[C@H]2C)o1 159297197 1169260718 /nfs/dbraw/zinc/26/07/18/1169260718.db2.gz QEFHQCBOSFXAPA-RITPCOANSA-N 0 0 196.206 1.370 10 0 ADAERN CC(C)C(=O)NC[C@H]1CC(C)(C)CO1 717339580 674046706 /nfs/dbraw/zinc/04/67/06/674046706.db2.gz ROCAHTVHJZMARJ-SECBINFHSA-N 0 0 199.294 1.574 10 0 ADAERN CCCC(=O)NC1CC2(CSC2)C1 717858289 674042487 /nfs/dbraw/zinc/04/24/87/674042487.db2.gz JRYKASIDSQEHDQ-UHFFFAOYSA-N 0 0 199.319 1.798 10 0 ADAERN CCOC(=O)c1nnc(CC(C)C)o1 159295204 1169261473 /nfs/dbraw/zinc/26/14/73/1169261473.db2.gz YYAJUVBDWIFOCS-UHFFFAOYSA-N 0 0 198.222 1.445 10 0 ADAERN CC(C)OCCNc1nncs1 159257540 1169261571 /nfs/dbraw/zinc/26/15/71/1169261571.db2.gz YBPKWENDIQXTMZ-UHFFFAOYSA-N 0 0 187.268 1.375 10 0 ADAERN COC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 717111695 674042877 /nfs/dbraw/zinc/04/28/77/674042877.db2.gz 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AGPMRDQUDFLSJU-QMMMGPOBSA-N 0 0 187.283 1.716 10 0 ADAERN COC(C)(C)[C@H](C)NC(=O)C1CC1 720060900 674066263 /nfs/dbraw/zinc/06/62/63/674066263.db2.gz JUQSUBDLQLKMHJ-ZETCQYMHSA-N 0 0 185.267 1.326 10 0 ADAERN CCC(=O)N[C@@H](C)C(C)(C)OC 720060406 674066276 /nfs/dbraw/zinc/06/62/76/674066276.db2.gz HNIQNUYXQJKOKE-ZETCQYMHSA-N 0 0 173.256 1.326 10 0 ADAERN COC(C)(C)[C@H](C)NC(=O)C(C)C 720062381 674066286 /nfs/dbraw/zinc/06/62/86/674066286.db2.gz OHLBHXJNKBIHNJ-QMMMGPOBSA-N 0 0 187.283 1.572 10 0 ADAERN c1cn(CCc2ccns2)cn1 719895962 674066335 /nfs/dbraw/zinc/06/63/35/674066335.db2.gz ZRNOLUXUWJMEIG-UHFFFAOYSA-N 0 0 179.248 1.582 10 0 ADAERN C1=CCN(CCc2ccns2)NC1 719888491 674066344 /nfs/dbraw/zinc/06/63/44/674066344.db2.gz GPNGGQNYZYSALL-UHFFFAOYSA-N 0 0 195.291 1.062 10 0 ADAERN Cc1nccn1CCc1ccns1 719893319 674066378 /nfs/dbraw/zinc/06/63/78/674066378.db2.gz JXBDHALDZDFUDR-UHFFFAOYSA-N 0 0 193.275 1.891 10 0 ADAERN CO[C@H](C)COc1cccnc1 167613345 1169285216 /nfs/dbraw/zinc/28/52/16/1169285216.db2.gz VSZZEHWIFIXLMD-MRVPVSSYSA-N 0 0 167.208 1.495 10 0 ADAERN CCC(=O)N[C@H](C)C(C)(C)OC 720060404 674066429 /nfs/dbraw/zinc/06/64/29/674066429.db2.gz HNIQNUYXQJKOKE-SSDOTTSWSA-N 0 0 173.256 1.326 10 0 ADAERN CNC(=O)c1ccccc1C(F)F 167801995 1169285315 /nfs/dbraw/zinc/28/53/15/1169285315.db2.gz BTJLCFZCGBDVNU-UHFFFAOYSA-N 0 0 185.173 1.984 10 0 ADAERN CCNC(=O)N[C@@H](C)C(C)(C)OC 720072973 674066649 /nfs/dbraw/zinc/06/66/49/674066649.db2.gz OJCUEDOJTALZHA-ZETCQYMHSA-N 0 0 188.271 1.119 10 0 ADAERN CCNC(=O)N[C@H](C)C(C)(C)OC 720072972 674066666 /nfs/dbraw/zinc/06/66/66/674066666.db2.gz OJCUEDOJTALZHA-SSDOTTSWSA-N 0 0 188.271 1.119 10 0 ADAERN COC(C)(C)[C@@H](C)NC(=O)C=C(C)C 720111502 674066673 /nfs/dbraw/zinc/06/66/73/674066673.db2.gz AYHNQJGFUMDOQX-SECBINFHSA-N 0 0 199.294 1.882 10 0 ADAERN C/C=C\C(=O)N[C@@H](C)C(C)(C)OC 720115004 674066774 /nfs/dbraw/zinc/06/67/74/674066774.db2.gz VZKGDDIAVFJPCA-UAPHAKCISA-N 0 0 185.267 1.492 10 0 ADAERN COC(C)(C)[C@@H](C)NC(=O)N(C)C 720070929 674066783 /nfs/dbraw/zinc/06/67/83/674066783.db2.gz JTUVCHJJOKWXIW-SSDOTTSWSA-N 0 0 188.271 1.071 10 0 ADAERN COC(C)(C)[C@H](C)NC(=O)N(C)C 720070930 674066789 /nfs/dbraw/zinc/06/67/89/674066789.db2.gz JTUVCHJJOKWXIW-ZETCQYMHSA-N 0 0 188.271 1.071 10 0 ADAERN COC(=O)N[C@@H](C)C(C)(C)OC 720070143 674066815 /nfs/dbraw/zinc/06/68/15/674066815.db2.gz HSQPCGZMSZSICM-LURJTMIESA-N 0 0 175.228 1.156 10 0 ADAERN C/C=C/C(=O)N[C@H](C)C(C)(C)OC 720115001 674066873 /nfs/dbraw/zinc/06/68/73/674066873.db2.gz VZKGDDIAVFJPCA-HYDMIIDASA-N 0 0 185.267 1.492 10 0 ADAERN CC[C@@H](Sc1cccnn1)C(C)=O 720144881 674066875 /nfs/dbraw/zinc/06/68/75/674066875.db2.gz GPRJYNFGOWVTKG-MRVPVSSYSA-N 0 0 196.275 1.936 10 0 ADAERN COC(=O)N[C@H](C)C(C)(C)OC 720070145 674066886 /nfs/dbraw/zinc/06/68/86/674066886.db2.gz HSQPCGZMSZSICM-ZCFIWIBFSA-N 0 0 175.228 1.156 10 0 ADAERN C/C=C(/C)C(=O)OCC1COC1 167417664 1169285781 /nfs/dbraw/zinc/28/57/81/1169285781.db2.gz CALSYTHICFJYMR-CLTKARDFSA-N 0 0 170.208 1.142 10 0 ADAERN CC[C@H](Sc1cccnn1)C(C)=O 720144884 674066909 /nfs/dbraw/zinc/06/69/09/674066909.db2.gz GPRJYNFGOWVTKG-QMMMGPOBSA-N 0 0 196.275 1.936 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)C(C)(C)OC 720114999 674066951 /nfs/dbraw/zinc/06/69/51/674066951.db2.gz VZKGDDIAVFJPCA-CZEYKFRCSA-N 0 0 185.267 1.492 10 0 ADAERN C[C@H](C(=O)NC1CC1)[C@H]1CCCO1 720615777 674070699 /nfs/dbraw/zinc/07/06/99/674070699.db2.gz SGSRLQFAZLOEGQ-IONNQARKSA-N 0 0 183.251 1.080 10 0 ADAERN C/C=C\C(=O)N[C@H](C)C(C)(C)OC 720115002 674066913 /nfs/dbraw/zinc/06/69/13/674066913.db2.gz VZKGDDIAVFJPCA-NFXKFNAJSA-N 0 0 185.267 1.492 10 0 ADAERN Cc1cc(CSCCO)c(C)nn1 720581566 674070700 /nfs/dbraw/zinc/07/07/00/674070700.db2.gz HDKGOYRHOZJXBO-UHFFFAOYSA-N 0 0 198.291 1.319 10 0 ADAERN COC(C)(C)[C@H](C)NC(=O)C(F)F 720064501 674066932 /nfs/dbraw/zinc/06/69/32/674066932.db2.gz WYICRPDRDMCKRE-YFKPBYRVSA-N 0 0 195.209 1.181 10 0 ADAERN COC(C)(C)[C@@H](C)NC(=O)C(F)F 720064499 674066960 /nfs/dbraw/zinc/06/69/60/674066960.db2.gz WYICRPDRDMCKRE-RXMQYKEDSA-N 0 0 195.209 1.181 10 0 ADAERN COC(C)(C)[C@H](C)NC(=O)C=C(C)C 720111503 674066964 /nfs/dbraw/zinc/06/69/64/674066964.db2.gz AYHNQJGFUMDOQX-VIFPVBQESA-N 0 0 199.294 1.882 10 0 ADAERN CCC(COC(C)=O)COC(C)=O 38220751 674066984 /nfs/dbraw/zinc/06/69/84/674066984.db2.gz MSOSUEPHLBQQAV-UHFFFAOYSA-N 0 0 188.223 1.139 10 0 ADAERN CC(C)OC(=O)[C@H](C)[C@@H]1CCCO1 720598819 674070707 /nfs/dbraw/zinc/07/07/07/674070707.db2.gz SYSKCOUYTCGUGY-BDAKNGLRSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@@H](C(=O)NC1CCC1)[C@H]1CCCO1 720622838 674071315 /nfs/dbraw/zinc/07/13/15/674071315.db2.gz XKDPROAVEAJNAS-PSASIEDQSA-N 0 0 197.278 1.470 10 0 ADAERN Nc1ccc(-c2ccc(F)cn2)cn1 167704771 1169285977 /nfs/dbraw/zinc/28/59/77/1169285977.db2.gz VDXYXSGJSQHDEA-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN COC(C)(C)[C@@H](C)Nc1cnccn1 720221291 674067132 /nfs/dbraw/zinc/06/71/32/674067132.db2.gz CFIZDPWAUPXHFM-MRVPVSSYSA-N 0 0 195.266 1.702 10 0 ADAERN CN(CCCO)C1(C(F)(F)F)CC1 720303601 674067197 /nfs/dbraw/zinc/06/71/97/674067197.db2.gz XOJDUEOTGRIJCP-UHFFFAOYSA-N 0 0 197.200 1.396 10 0 ADAERN COC(C)(C)[C@H](C)Nc1ncccn1 720228448 674067238 /nfs/dbraw/zinc/06/72/38/674067238.db2.gz PLYIAURNGUGIOV-QMMMGPOBSA-N 0 0 195.266 1.702 10 0 ADAERN C[C@H](O)CN(C)C1(C(F)(F)F)CC1 720301047 674067252 /nfs/dbraw/zinc/06/72/52/674067252.db2.gz LYEOZVBREVCGHB-LURJTMIESA-N 0 0 197.200 1.394 10 0 ADAERN COC(C)(C)[C@H](C)Nc1cnccn1 720221293 674067285 /nfs/dbraw/zinc/06/72/85/674067285.db2.gz CFIZDPWAUPXHFM-QMMMGPOBSA-N 0 0 195.266 1.702 10 0 ADAERN C[C@@H](O)CN(C)C1(C(F)(F)F)CC1 720301049 674067296 /nfs/dbraw/zinc/06/72/96/674067296.db2.gz LYEOZVBREVCGHB-ZCFIWIBFSA-N 0 0 197.200 1.394 10 0 ADAERN COC(C)(C)[C@@H](C)Nc1ncccn1 720228447 674067304 /nfs/dbraw/zinc/06/73/04/674067304.db2.gz PLYIAURNGUGIOV-MRVPVSSYSA-N 0 0 195.266 1.702 10 0 ADAERN CC[C@H](C)NC(=O)[C@H](C)[C@@H]1CCCO1 720621741 674070717 /nfs/dbraw/zinc/07/07/17/674070717.db2.gz SILXXBHDSHHPGZ-AEJSXWLSSA-N 0 0 199.294 1.716 10 0 ADAERN Cc1conc1CN1CCCCC1 720346351 674067554 /nfs/dbraw/zinc/06/75/54/674067554.db2.gz ZEAJOLFLCDKCKU-UHFFFAOYSA-N 0 0 180.251 1.969 10 0 ADAERN CC/C=C\CNC(C)=O 167371639 1169286619 /nfs/dbraw/zinc/28/66/19/1169286619.db2.gz UFUWYKFSJRSDGS-PLNGDYQASA-N 0 0 127.187 1.089 10 0 ADAERN COC[C@@H](C)NCc1nocc1C 720346326 674067718 /nfs/dbraw/zinc/06/77/18/674067718.db2.gz XXSSSBZRMIYLFE-MRVPVSSYSA-N 0 0 184.239 1.108 10 0 ADAERN Fc1ncccc1OCc1ccon1 720351046 674067762 /nfs/dbraw/zinc/06/77/62/674067762.db2.gz APLSJVJIZWWGJN-UHFFFAOYSA-N 0 0 194.165 1.788 10 0 ADAERN COC[C@H](C)NCc1nocc1C 720346327 674067853 /nfs/dbraw/zinc/06/78/53/674067853.db2.gz XXSSSBZRMIYLFE-QMMMGPOBSA-N 0 0 184.239 1.108 10 0 ADAERN Cc1conc1CNc1ccn(C)n1 720349996 674067857 /nfs/dbraw/zinc/06/78/57/674067857.db2.gz HLDRTCIDLZOEOB-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN CCC(CC)OC(=O)C[C@@H](O)CC 38266389 674068129 /nfs/dbraw/zinc/06/81/29/674068129.db2.gz YFZBBCYCQJNHBE-QMMMGPOBSA-N 0 0 188.267 1.879 10 0 ADAERN Cc1conc1CN[C@@H]1CCO[C@@H]1C 720352319 674068162 /nfs/dbraw/zinc/06/81/62/674068162.db2.gz CSBILNRPHSVPPU-RKDXNWHRSA-N 0 0 196.250 1.250 10 0 ADAERN Cc1conc1CN(C)CC(C)(C)O 720356467 674068182 /nfs/dbraw/zinc/06/81/82/674068182.db2.gz NZQXSNMEMMYDPQ-UHFFFAOYSA-N 0 0 198.266 1.186 10 0 ADAERN Cc1conc1CN(C)CC[C@H](C)O 720355648 674068221 /nfs/dbraw/zinc/06/82/21/674068221.db2.gz LBBRPAUIUJPICQ-VIFPVBQESA-N 0 0 198.266 1.186 10 0 ADAERN Fc1ccc(OCc2ccon2)cn1 720351778 674068238 /nfs/dbraw/zinc/06/82/38/674068238.db2.gz FRZIARRBIAEUJM-UHFFFAOYSA-N 0 0 194.165 1.788 10 0 ADAERN Cc1conc1CN(CCO)C(C)C 720354843 674068265 /nfs/dbraw/zinc/06/82/65/674068265.db2.gz IYWHMDZZJNINFI-UHFFFAOYSA-N 0 0 198.266 1.186 10 0 ADAERN Cc1conc1CN(C)C(C)(C)CO 720356598 674068277 /nfs/dbraw/zinc/06/82/77/674068277.db2.gz PTJSSUIERKEMHC-UHFFFAOYSA-N 0 0 198.266 1.186 10 0 ADAERN Cc1conc1CN(C)CC[C@@H](C)O 720355647 674068302 /nfs/dbraw/zinc/06/83/02/674068302.db2.gz LBBRPAUIUJPICQ-SECBINFHSA-N 0 0 198.266 1.186 10 0 ADAERN CCCN(CCO)Cc1nocc1C 720352235 674068310 /nfs/dbraw/zinc/06/83/10/674068310.db2.gz ADCRMVSYPQMNKM-UHFFFAOYSA-N 0 0 198.266 1.187 10 0 ADAERN CCN(CCCO)Cc1nocc1C 720359637 674068321 /nfs/dbraw/zinc/06/83/21/674068321.db2.gz YMGTWVJLPLFTQP-UHFFFAOYSA-N 0 0 198.266 1.187 10 0 ADAERN CCCC[C@@H](C)OCCCO 167739964 1169287544 /nfs/dbraw/zinc/28/75/44/1169287544.db2.gz DTHZZZXSEZHIBT-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN Cc1cn(Cc2nocc2C)c(C)n1 720399925 674068616 /nfs/dbraw/zinc/06/86/16/674068616.db2.gz HODLECLVZBRYPE-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN CC(=O)CN(C)C1(C(F)(F)F)CC1 720385708 674068641 /nfs/dbraw/zinc/06/86/41/674068641.db2.gz HVBQLEABMINWRQ-UHFFFAOYSA-N 0 0 195.184 1.602 10 0 ADAERN Cc1conc1CN[C@@H]1COC[C@H]1C 720372460 674068647 /nfs/dbraw/zinc/06/86/47/674068647.db2.gz IRBXRLNPORDEES-GMSGAONNSA-N 0 0 196.250 1.108 10 0 ADAERN CC(=O)N(C)C1(C(F)(F)F)CC1 720394014 674068665 /nfs/dbraw/zinc/06/86/65/674068665.db2.gz ISSVYQMRBTWCHB-UHFFFAOYSA-N 0 0 181.157 1.560 10 0 ADAERN Cc1conc1Cn1cnc(C)c1C 720391085 674068715 /nfs/dbraw/zinc/06/87/15/674068715.db2.gz WWNMDWLOPCJLHX-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN Cc1conc1CN[C@@H]1COC[C@@H]1C 720372462 674068719 /nfs/dbraw/zinc/06/87/19/674068719.db2.gz IRBXRLNPORDEES-OIBJUYFYSA-N 0 0 196.250 1.108 10 0 ADAERN Cc1conc1Cn1cccn1 720388456 674068727 /nfs/dbraw/zinc/06/87/27/674068727.db2.gz CZHNFMIBDCCUIR-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN COC(=O)CCc1ccnc(OC)c1 167830275 1169287728 /nfs/dbraw/zinc/28/77/28/1169287728.db2.gz FYTWXMZUVFYMNA-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COCC(C)(C)NCc1nocc1C 720361533 674068754 /nfs/dbraw/zinc/06/87/54/674068754.db2.gz ACBCOBMCLOTPNB-UHFFFAOYSA-N 0 0 198.266 1.498 10 0 ADAERN Cc1conc1CN[C@H]1COC[C@H]1C 720372464 674068763 /nfs/dbraw/zinc/06/87/63/674068763.db2.gz IRBXRLNPORDEES-XCBNKYQSSA-N 0 0 196.250 1.108 10 0 ADAERN CC[C@@H](CO)N(C)Cc1nocc1C 720369650 674068800 /nfs/dbraw/zinc/06/88/00/674068800.db2.gz MWISUCCEQOVQSX-VIFPVBQESA-N 0 0 198.266 1.186 10 0 ADAERN CCc1nccn1Cc1nocc1C 720388460 674068858 /nfs/dbraw/zinc/06/88/58/674068858.db2.gz DBANGMVPVZUBNR-UHFFFAOYSA-N 0 0 191.234 1.790 10 0 ADAERN CCC(=O)N(C)C1(C(F)(F)F)CC1 720395420 674068846 /nfs/dbraw/zinc/06/88/46/674068846.db2.gz QMSMBRPSLZEHSO-UHFFFAOYSA-N 0 0 195.184 1.950 10 0 ADAERN Cc1conc1Cn1ccsc1=O 720391047 674068924 /nfs/dbraw/zinc/06/89/24/674068924.db2.gz WIQIVFSAQIQCCU-UHFFFAOYSA-N 0 0 196.231 1.255 10 0 ADAERN Cc1conc1CN(C)CCCCO 720369688 674068954 /nfs/dbraw/zinc/06/89/54/674068954.db2.gz NQNJAHMICGBFGC-UHFFFAOYSA-N 0 0 198.266 1.187 10 0 ADAERN Cc1cc(CN[C@@H](C)CF)no1 720384051 674068976 /nfs/dbraw/zinc/06/89/76/674068976.db2.gz SLAXAUCKEDGBJE-LURJTMIESA-N 0 0 172.203 1.431 10 0 ADAERN CC[C@H](CO)N(C)Cc1nocc1C 720369649 674069002 /nfs/dbraw/zinc/06/90/02/674069002.db2.gz MWISUCCEQOVQSX-SECBINFHSA-N 0 0 198.266 1.186 10 0 ADAERN Cc1conc1Cn1ccnc1C 720388353 674069030 /nfs/dbraw/zinc/06/90/30/674069030.db2.gz CAMCCJLLFQGEJC-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN Cc1conc1Cn1ccnc1 720388540 674069058 /nfs/dbraw/zinc/06/90/58/674069058.db2.gz FCTSTRLZHGXWKA-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN Cc1cc(C)n(Cc2nocc2C)n1 720389122 674069069 /nfs/dbraw/zinc/06/90/69/674069069.db2.gz JKZBEZLJGRVVAO-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN Cc1conc1CN[C@H]1COC[C@@H]1C 720372466 674069074 /nfs/dbraw/zinc/06/90/74/674069074.db2.gz IRBXRLNPORDEES-XVKPBYJWSA-N 0 0 196.250 1.108 10 0 ADAERN NC(=O)c1nc(C2CC2)cs1 167957332 1169288121 /nfs/dbraw/zinc/28/81/21/1169288121.db2.gz BKXFUDHDEUNHRH-UHFFFAOYSA-N 0 0 168.221 1.119 10 0 ADAERN CS[C@H]1CC[C@@H]1NCc1ccon1 720407656 674069641 /nfs/dbraw/zinc/06/96/41/674069641.db2.gz AOTOARQWCGRLBF-IUCAKERBSA-N 0 0 198.291 1.658 10 0 ADAERN Cc1conc1CSCCCO 720406830 674069646 /nfs/dbraw/zinc/06/96/46/674069646.db2.gz VYJQIQBBFANYGP-UHFFFAOYSA-N 0 0 187.264 1.599 10 0 ADAERN C/C=C\C(=O)N1CCO[C@H](C)CC1 720403915 674069655 /nfs/dbraw/zinc/06/96/55/674069655.db2.gz GBCAUTYXMHLDBE-ZBJFTSOASA-N 0 0 183.251 1.200 10 0 ADAERN C[C@H]1CCN(C(=O)C2CC2)CCO1 720461702 674069671 /nfs/dbraw/zinc/06/96/71/674069671.db2.gz VPSUFYYJTUBAMN-QMMMGPOBSA-N 0 0 183.251 1.034 10 0 ADAERN Cc1conc1CS[C@H](C)CO 720404684 674069675 /nfs/dbraw/zinc/06/96/75/674069675.db2.gz HXROTGAJSPORQZ-SSDOTTSWSA-N 0 0 187.264 1.597 10 0 ADAERN C/C=C\C(=O)N1CCO[C@@H](C)CC1 720403913 674069682 /nfs/dbraw/zinc/06/96/82/674069682.db2.gz GBCAUTYXMHLDBE-TYRPZCRBSA-N 0 0 183.251 1.200 10 0 ADAERN CC(C)C(=O)N1CCO[C@H](C)CC1 720457144 674069692 /nfs/dbraw/zinc/06/96/92/674069692.db2.gz HKMVZIZZDMVFFA-SECBINFHSA-N 0 0 185.267 1.280 10 0 ADAERN C/C=C/C(=O)N1CCO[C@H](C)CC1 720403911 674069716 /nfs/dbraw/zinc/06/97/16/674069716.db2.gz GBCAUTYXMHLDBE-CDAZIORVSA-N 0 0 183.251 1.200 10 0 ADAERN C[C@@H]1CCN(C(=O)C(C)(C)C)CCO1 720461208 674069717 /nfs/dbraw/zinc/06/97/17/674069717.db2.gz SVRXRNITKVOSKQ-SECBINFHSA-N 0 0 199.294 1.670 10 0 ADAERN CCN(CC)Cc1nocc1C 720420601 674069719 /nfs/dbraw/zinc/06/97/19/674069719.db2.gz VCIAILCZABBVNP-UHFFFAOYSA-N 0 0 168.240 1.825 10 0 ADAERN CS[C@@H]1CC[C@@H]1NCc1ccon1 720407655 674069722 /nfs/dbraw/zinc/06/97/22/674069722.db2.gz AOTOARQWCGRLBF-DTWKUNHWSA-N 0 0 198.291 1.658 10 0 ADAERN C[C@H]1CCN(C(=O)C(C)(C)C)CCO1 720461211 674069734 /nfs/dbraw/zinc/06/97/34/674069734.db2.gz SVRXRNITKVOSKQ-VIFPVBQESA-N 0 0 199.294 1.670 10 0 ADAERN CC(C)C(=O)N1CCO[C@@H](C)CC1 720457145 674069773 /nfs/dbraw/zinc/06/97/73/674069773.db2.gz HKMVZIZZDMVFFA-VIFPVBQESA-N 0 0 185.267 1.280 10 0 ADAERN CC(C)=CC(=O)N1CCO[C@@H](C)CC1 720408165 674069779 /nfs/dbraw/zinc/06/97/79/674069779.db2.gz PYPMAFMVDLLNBK-JTQLQIEISA-N 0 0 197.278 1.590 10 0 ADAERN CS[C@H]1CC[C@H]1NCc1ccon1 720407654 674069800 /nfs/dbraw/zinc/06/98/00/674069800.db2.gz AOTOARQWCGRLBF-BDAKNGLRSA-N 0 0 198.291 1.658 10 0 ADAERN CCCC(=O)N1CCO[C@H](C)CC1 720461605 674069956 /nfs/dbraw/zinc/06/99/56/674069956.db2.gz UYMRAPBURANWLX-SECBINFHSA-N 0 0 185.267 1.424 10 0 ADAERN CCCCCCOC(=O)C[C@@H](C)O 168491856 1169289165 /nfs/dbraw/zinc/28/91/65/1169289165.db2.gz NUOMIZNYSYMUJI-SECBINFHSA-N 0 0 188.267 1.881 10 0 ADAERN CC(C)=CC(=O)N1CCO[C@H](C)CC1 720408168 674070104 /nfs/dbraw/zinc/07/01/04/674070104.db2.gz PYPMAFMVDLLNBK-SNVBAGLBSA-N 0 0 197.278 1.590 10 0 ADAERN C[C@@H]1CCN(C(=O)C2CC2)CCO1 720461699 674070150 /nfs/dbraw/zinc/07/01/50/674070150.db2.gz VPSUFYYJTUBAMN-MRVPVSSYSA-N 0 0 183.251 1.034 10 0 ADAERN CS[C@@H]1CC[C@H]1NCc1ccon1 720407657 674070180 /nfs/dbraw/zinc/07/01/80/674070180.db2.gz AOTOARQWCGRLBF-RKDXNWHRSA-N 0 0 198.291 1.658 10 0 ADAERN CCOC(=O)/C=C/c1ncccc1C 38292994 674070188 /nfs/dbraw/zinc/07/01/88/674070188.db2.gz NRLGDQZMQMFGCL-VOTSOKGWSA-N 0 0 191.230 1.966 10 0 ADAERN C/C=C/C(=O)N1CCO[C@@H](C)CC1 720403912 674070196 /nfs/dbraw/zinc/07/01/96/674070196.db2.gz GBCAUTYXMHLDBE-NWALNABHSA-N 0 0 183.251 1.200 10 0 ADAERN Cc1conc1CS[C@@H](C)CO 720404685 674070202 /nfs/dbraw/zinc/07/02/02/674070202.db2.gz HXROTGAJSPORQZ-ZETCQYMHSA-N 0 0 187.264 1.597 10 0 ADAERN CC1CN(C(=O)OC(C)C)C1 168470690 1169289318 /nfs/dbraw/zinc/28/93/18/1169289318.db2.gz LDRXNPQQJZYKAQ-UHFFFAOYSA-N 0 0 157.213 1.483 10 0 ADAERN Cc1ccnc(-c2cccnc2)n1 168885027 1169289379 /nfs/dbraw/zinc/28/93/79/1169289379.db2.gz LXDRJHZNVAENOA-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN CC[C@@H](C)OC(=O)C[C@@H](C)O 168494267 1169289482 /nfs/dbraw/zinc/28/94/82/1169289482.db2.gz RXLZODKXOXBSPB-RNFRBKRXSA-N 0 0 160.213 1.099 10 0 ADAERN COc1ccc(OC(C)C)cn1 168385051 1169289584 /nfs/dbraw/zinc/28/95/84/1169289584.db2.gz LBHKGVXUMVOPJB-UHFFFAOYSA-N 0 0 167.208 1.877 10 0 ADAERN CCCNC(=O)[C@@H](C)[C@@H]1CCCO1 720609549 674070529 /nfs/dbraw/zinc/07/05/29/674070529.db2.gz IBBSSGDTGFAXRL-IUCAKERBSA-N 0 0 185.267 1.328 10 0 ADAERN CCCNC(=O)[C@@H](C)[C@H]1CCCO1 720609547 674070547 /nfs/dbraw/zinc/07/05/47/674070547.db2.gz IBBSSGDTGFAXRL-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN CCCOC(=O)[C@H](C)[C@H]1CCCO1 720599182 674070552 /nfs/dbraw/zinc/07/05/52/674070552.db2.gz VVDSSSOOXKOTQN-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1cc(Cn2ccnc2)c(C)nn1 720605822 674070586 /nfs/dbraw/zinc/07/05/86/674070586.db2.gz GKPYEPBXGIAZQU-UHFFFAOYSA-N 0 0 188.234 1.338 10 0 ADAERN CCCCN(O)C(C)=O 168415852 1169289704 /nfs/dbraw/zinc/28/97/04/1169289704.db2.gz ANBLVRIGWDGYBI-UHFFFAOYSA-N 0 0 131.175 1.024 10 0 ADAERN C[C@@H](C(=O)NC(C)(C)C)[C@@H]1CCCO1 720616249 674070614 /nfs/dbraw/zinc/07/06/14/674070614.db2.gz WZHKDHTZONPVHZ-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H](C)[C@@H]1CCCO1 720621742 674070636 /nfs/dbraw/zinc/07/06/36/674070636.db2.gz SILXXBHDSHHPGZ-GUBZILKMSA-N 0 0 199.294 1.716 10 0 ADAERN CCN(CC)C(=O)[C@H](C)[C@@H]1CCCO1 720609933 674070648 /nfs/dbraw/zinc/07/06/48/674070648.db2.gz JLYPHTRGHVRYNB-ZJUUUORDSA-N 0 0 199.294 1.670 10 0 ADAERN CC(C)CNC(=O)[C@@H](C)[C@H]1CCCO1 720619914 674070652 /nfs/dbraw/zinc/07/06/52/674070652.db2.gz KZKYYFIGVXYOCS-VHSXEESVSA-N 0 0 199.294 1.574 10 0 ADAERN C=Cc1ccc(C(=O)OCC)nc1 168647428 1169289749 /nfs/dbraw/zinc/28/97/49/1169289749.db2.gz ZZTINWDLDINYIB-UHFFFAOYSA-N 0 0 177.203 1.901 10 0 ADAERN CCCOC(=O)[C@H](C)[C@@H]1CCCO1 720599177 674070678 /nfs/dbraw/zinc/07/06/78/674070678.db2.gz VVDSSSOOXKOTQN-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@@H](C(=O)N1CCCC1)[C@H]1CCCO1 720614711 674070729 /nfs/dbraw/zinc/07/07/29/674070729.db2.gz NGQHZLQJZVFNEE-NXEZZACHSA-N 0 0 197.278 1.424 10 0 ADAERN CCN(CC)C(=O)[C@@H](C)[C@H]1CCCO1 720609930 674070732 /nfs/dbraw/zinc/07/07/32/674070732.db2.gz JLYPHTRGHVRYNB-VHSXEESVSA-N 0 0 199.294 1.670 10 0 ADAERN CCC(=O)N1CCO[C@@H](C)CC1 720462708 674070759 /nfs/dbraw/zinc/07/07/59/674070759.db2.gz YSNMSWZBXZZWIB-QMMMGPOBSA-N 0 0 171.240 1.034 10 0 ADAERN C[C@@H](C(=O)NC1CC1)[C@H]1CCCO1 720615778 674070772 /nfs/dbraw/zinc/07/07/72/674070772.db2.gz SGSRLQFAZLOEGQ-VXNVDRBHSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H](C(=O)N1CCCC1)[C@@H]1CCCO1 720614712 674070777 /nfs/dbraw/zinc/07/07/77/674070777.db2.gz NGQHZLQJZVFNEE-UWVGGRQHSA-N 0 0 197.278 1.424 10 0 ADAERN C[C@H]1CCN(Cc2ncc[nH]2)CCO1 720503231 674070781 /nfs/dbraw/zinc/07/07/81/674070781.db2.gz SUGKDWWKLGGIGF-VIFPVBQESA-N 0 0 195.266 1.021 10 0 ADAERN C[C@H](C(=O)NC(C)(C)C)[C@H]1CCCO1 720616250 674070786 /nfs/dbraw/zinc/07/07/86/674070786.db2.gz WZHKDHTZONPVHZ-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H](C)NC(=O)[C@H](C)[C@H]1CCCO1 720621744 674070804 /nfs/dbraw/zinc/07/08/04/674070804.db2.gz SILXXBHDSHHPGZ-IVZWLZJFSA-N 0 0 199.294 1.716 10 0 ADAERN C[C@@H](C(=O)NC(C)(C)C)[C@H]1CCCO1 720616252 674070807 /nfs/dbraw/zinc/07/08/07/674070807.db2.gz WZHKDHTZONPVHZ-RKDXNWHRSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)OC(=O)[C@@H](C)[C@H]1CCCO1 720598820 674070810 /nfs/dbraw/zinc/07/08/10/674070810.db2.gz SYSKCOUYTCGUGY-DTWKUNHWSA-N 0 0 186.251 1.753 10 0 ADAERN CCN(CC)C(=O)[C@@H](C)[C@@H]1CCCO1 720609928 674070835 /nfs/dbraw/zinc/07/08/35/674070835.db2.gz JLYPHTRGHVRYNB-UWVGGRQHSA-N 0 0 199.294 1.670 10 0 ADAERN CCCNC(=O)[C@H](C)[C@H]1CCCO1 720609550 674070854 /nfs/dbraw/zinc/07/08/54/674070854.db2.gz IBBSSGDTGFAXRL-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)OC(=O)[C@@H](C)[C@@H]1CCCO1 720598821 674070858 /nfs/dbraw/zinc/07/08/58/674070858.db2.gz SYSKCOUYTCGUGY-IUCAKERBSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@H](C(=O)NC1CC1)[C@@H]1CCCO1 720615776 674070862 /nfs/dbraw/zinc/07/08/62/674070862.db2.gz SGSRLQFAZLOEGQ-CBAPKCEASA-N 0 0 183.251 1.080 10 0 ADAERN CCN(CC)C(=O)[C@H](C)[C@H]1CCCO1 720609926 674070864 /nfs/dbraw/zinc/07/08/64/674070864.db2.gz JLYPHTRGHVRYNB-NXEZZACHSA-N 0 0 199.294 1.670 10 0 ADAERN CCCOC(=O)[C@@H](C)[C@H]1CCCO1 720599179 674070870 /nfs/dbraw/zinc/07/08/70/674070870.db2.gz VVDSSSOOXKOTQN-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@H](C(=O)NC(C)(C)C)[C@@H]1CCCO1 720616251 674070871 /nfs/dbraw/zinc/07/08/71/674070871.db2.gz WZHKDHTZONPVHZ-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN CCCNC(=O)[C@H](C)[C@@H]1CCCO1 720609546 674070872 /nfs/dbraw/zinc/07/08/72/674070872.db2.gz IBBSSGDTGFAXRL-BDAKNGLRSA-N 0 0 185.267 1.328 10 0 ADAERN CON(C)C(=O)C1(C)CC(F)(F)C1 720490398 674070875 /nfs/dbraw/zinc/07/08/75/674070875.db2.gz DWMHJGMVCPAOOL-UHFFFAOYSA-N 0 0 193.193 1.442 10 0 ADAERN C[C@@H]1CCN(Cc2ncc[nH]2)CCO1 720503228 674070876 /nfs/dbraw/zinc/07/08/76/674070876.db2.gz SUGKDWWKLGGIGF-SECBINFHSA-N 0 0 195.266 1.021 10 0 ADAERN C[C@@H](C(=O)N1CCCC1)[C@@H]1CCCO1 720614714 674070881 /nfs/dbraw/zinc/07/08/81/674070881.db2.gz NGQHZLQJZVFNEE-ZJUUUORDSA-N 0 0 197.278 1.424 10 0 ADAERN Cc1cc(Cn2cccn2)c(C)nn1 720607335 674070893 /nfs/dbraw/zinc/07/08/93/674070893.db2.gz RNTZVVJQVJPZNZ-UHFFFAOYSA-N 0 0 188.234 1.338 10 0 ADAERN CCC(=O)N1CCO[C@H](C)CC1 720462707 674070907 /nfs/dbraw/zinc/07/09/07/674070907.db2.gz YSNMSWZBXZZWIB-MRVPVSSYSA-N 0 0 171.240 1.034 10 0 ADAERN C[C@@H](C(=O)NC1CC1)[C@@H]1CCCO1 720615775 674070909 /nfs/dbraw/zinc/07/09/09/674070909.db2.gz SGSRLQFAZLOEGQ-APPZFPTMSA-N 0 0 183.251 1.080 10 0 ADAERN CCCOC(=O)[C@@H](C)[C@@H]1CCCO1 720599180 674070913 /nfs/dbraw/zinc/07/09/13/674070913.db2.gz VVDSSSOOXKOTQN-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN CCCC(=O)N1CCO[C@@H](C)CC1 720461608 674070915 /nfs/dbraw/zinc/07/09/15/674070915.db2.gz UYMRAPBURANWLX-VIFPVBQESA-N 0 0 185.267 1.424 10 0 ADAERN C[C@H](C(=O)N1CCCC1)[C@H]1CCCO1 720614713 674070935 /nfs/dbraw/zinc/07/09/35/674070935.db2.gz NGQHZLQJZVFNEE-VHSXEESVSA-N 0 0 197.278 1.424 10 0 ADAERN CC(C)CNC(=O)[C@H](C)[C@@H]1CCCO1 720619916 674070938 /nfs/dbraw/zinc/07/09/38/674070938.db2.gz KZKYYFIGVXYOCS-ZJUUUORDSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)CNC(=O)[C@@H](C)[C@@H]1CCCO1 720619911 674070943 /nfs/dbraw/zinc/07/09/43/674070943.db2.gz KZKYYFIGVXYOCS-UWVGGRQHSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)CNC(=O)[C@H](C)[C@H]1CCCO1 720619908 674070944 /nfs/dbraw/zinc/07/09/44/674070944.db2.gz KZKYYFIGVXYOCS-NXEZZACHSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)OC(=O)[C@H](C)[C@H]1CCCO1 720598822 674070951 /nfs/dbraw/zinc/07/09/51/674070951.db2.gz SYSKCOUYTCGUGY-RKDXNWHRSA-N 0 0 186.251 1.753 10 0 ADAERN CC(C)C(=O)N1CC=CC1 168800410 1169290197 /nfs/dbraw/zinc/29/01/97/1169290197.db2.gz LHPSFBBWOPMGAT-UHFFFAOYSA-N 0 0 139.198 1.041 10 0 ADAERN Cn1ccc(-c2ccncc2)n1 168660845 1169290208 /nfs/dbraw/zinc/29/02/08/1169290208.db2.gz VUHNMXKVBVJWFE-UHFFFAOYSA-N 0 0 159.192 1.482 10 0 ADAERN C[C@H](C(=O)NC1CCC1)[C@H]1CCCO1 720622841 674071293 /nfs/dbraw/zinc/07/12/93/674071293.db2.gz XKDPROAVEAJNAS-WCBMZHEXSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ncc(F)c(C)n1 168835032 1169290373 /nfs/dbraw/zinc/29/03/73/1169290373.db2.gz VWLHFPYDMKSVGD-UHFFFAOYSA-N 0 0 126.134 1.233 10 0 ADAERN C[C@H](C(=O)NC1CCC1)[C@@H]1CCCO1 720622842 674071351 /nfs/dbraw/zinc/07/13/51/674071351.db2.gz XKDPROAVEAJNAS-WPRPVWTQSA-N 0 0 197.278 1.470 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H](C)[C@H]1CCCO1 720621745 674071357 /nfs/dbraw/zinc/07/13/57/674071357.db2.gz SILXXBHDSHHPGZ-LPEHRKFASA-N 0 0 199.294 1.716 10 0 ADAERN Cc1c[nH]nc1NC(=O)C1(C)CCC1 720671914 674071365 /nfs/dbraw/zinc/07/13/65/674071365.db2.gz WTIOLQGUEWQKQV-UHFFFAOYSA-N 0 0 193.250 1.847 10 0 ADAERN C[C@@H](C(=O)NC1CCC1)[C@@H]1CCCO1 720622839 674071480 /nfs/dbraw/zinc/07/14/80/674071480.db2.gz XKDPROAVEAJNAS-SCZZXKLOSA-N 0 0 197.278 1.470 10 0 ADAERN COC(=O)N(C)C1(C(F)(F)F)CC1 720632681 674071567 /nfs/dbraw/zinc/07/15/67/674071567.db2.gz LQKLJKDCKQWOSM-UHFFFAOYSA-N 0 0 197.156 1.780 10 0 ADAERN COC(C)(C)c1nnc(C)o1 168601183 1169290914 /nfs/dbraw/zinc/29/09/14/1169290914.db2.gz ZNZNZTRHVRVBJB-UHFFFAOYSA-N 0 0 156.185 1.260 10 0 ADAERN CC[C@H](C)OC(=O)C[C@@H](C)O 168494357 1169291229 /nfs/dbraw/zinc/29/12/29/1169291229.db2.gz RXLZODKXOXBSPB-RQJHMYQMSA-N 0 0 160.213 1.099 10 0 ADAERN c1cn(C[C@@H]2C[C@H]3CCC[C@H]3O2)cn1 720864879 674072087 /nfs/dbraw/zinc/07/20/87/674072087.db2.gz MPOBTYVXCOHIKK-OUAUKWLOSA-N 0 0 192.262 1.841 10 0 ADAERN C[C@H](N[C@H]1CCOC1=O)C1CCCC1 306371907 674072194 /nfs/dbraw/zinc/07/21/94/674072194.db2.gz PSBATLUCGPUCLH-WPRPVWTQSA-N 0 0 197.278 1.470 10 0 ADAERN c1cn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)cn1 720864878 674072284 /nfs/dbraw/zinc/07/22/84/674072284.db2.gz MPOBTYVXCOHIKK-GARJFASQSA-N 0 0 192.262 1.841 10 0 ADAERN C[C@H](C(=O)NN1CCCC1)C1CC1 306415051 674072515 /nfs/dbraw/zinc/07/25/15/674072515.db2.gz PHGSBZRCLQLACP-QMMMGPOBSA-N 0 0 182.267 1.160 10 0 ADAERN CCCc1c[nH]nc1C 168596080 1169291918 /nfs/dbraw/zinc/29/19/18/1169291918.db2.gz HDVJEDRKLPCAHW-UHFFFAOYSA-N 0 0 124.187 1.671 10 0 ADAERN c1cn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cn1 720864875 674072722 /nfs/dbraw/zinc/07/27/22/674072722.db2.gz MPOBTYVXCOHIKK-DCAQKATOSA-N 0 0 192.262 1.841 10 0 ADAERN O=C(OC1CCC1)C1=COCCC1 306371338 674072739 /nfs/dbraw/zinc/07/27/39/674072739.db2.gz IYWQZBSRLQOOQP-UHFFFAOYSA-N 0 0 182.219 1.776 10 0 ADAERN c1cnc(N2CC[C@@H]3C[C@@H]32)nc1 306364678 674072910 /nfs/dbraw/zinc/07/29/10/674072910.db2.gz BDNNNIBDMNHQAT-SFYZADRCSA-N 0 0 161.208 1.075 10 0 ADAERN C[C@@H](N[C@H]1CCOC1=O)C1CCCC1 306371905 674072941 /nfs/dbraw/zinc/07/29/41/674072941.db2.gz PSBATLUCGPUCLH-SCZZXKLOSA-N 0 0 197.278 1.470 10 0 ADAERN Fc1ccc(NCc2cn[nH]c2)cn1 306368277 674072957 /nfs/dbraw/zinc/07/29/57/674072957.db2.gz DTBCDKIGWYCGBE-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN C[C@@H](ONC(N)=O)c1ccccc1 306418800 674072962 /nfs/dbraw/zinc/07/29/62/674072962.db2.gz VVMFGTKRSXQZJG-SSDOTTSWSA-N 0 0 180.207 1.348 10 0 ADAERN C[C@@H](N[C@@H]1CCOC1=O)C1CCCC1 306371904 674072967 /nfs/dbraw/zinc/07/29/67/674072967.db2.gz PSBATLUCGPUCLH-PSASIEDQSA-N 0 0 197.278 1.470 10 0 ADAERN c1cnc(N2CC[C@H]3C[C@H]32)nc1 306364672 674072981 /nfs/dbraw/zinc/07/29/81/674072981.db2.gz BDNNNIBDMNHQAT-JGVFFNPUSA-N 0 0 161.208 1.075 10 0 ADAERN CCCNC(=O)c1cnc(NC)s1 306413721 674072986 /nfs/dbraw/zinc/07/29/86/674072986.db2.gz MYQLKYZFVMZIBN-UHFFFAOYSA-N 0 0 199.279 1.325 10 0 ADAERN CC(C)[C@H](F)C(=O)N1CCCCC1 306366370 674072999 /nfs/dbraw/zinc/07/29/99/674072999.db2.gz GUXHOHVWNGCMMM-VIFPVBQESA-N 0 0 187.258 1.993 10 0 ADAERN C[C@H](N[C@@H]1CCOC1=O)C1CCCC1 306371906 674073082 /nfs/dbraw/zinc/07/30/82/674073082.db2.gz PSBATLUCGPUCLH-WCBMZHEXSA-N 0 0 197.278 1.470 10 0 ADAERN c1cn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)cn1 720864880 674073130 /nfs/dbraw/zinc/07/31/30/674073130.db2.gz MPOBTYVXCOHIKK-VWYCJHECSA-N 0 0 192.262 1.841 10 0 ADAERN C[C@]1(OC(=O)C2CC2)CCOC1 306382296 674073147 /nfs/dbraw/zinc/07/31/47/674073147.db2.gz ATPLHHQSULEDEZ-VIFPVBQESA-N 0 0 170.208 1.119 10 0 ADAERN CC(C)(F)C(=O)Nc1cnoc1 306366640 674073169 /nfs/dbraw/zinc/07/31/69/674073169.db2.gz GPCJMOVPDREEFE-UHFFFAOYSA-N 0 0 172.159 1.361 10 0 ADAERN CCC(=O)O[C@@H]1CCO[C@H]1C 306385148 674073178 /nfs/dbraw/zinc/07/31/78/674073178.db2.gz BAHBJAULPYBOTM-NKWVEPMBSA-N 0 0 158.197 1.117 10 0 ADAERN C[C@H](ONC(N)=O)c1ccccc1 306418801 674073237 /nfs/dbraw/zinc/07/32/37/674073237.db2.gz VVMFGTKRSXQZJG-ZETCQYMHSA-N 0 0 180.207 1.348 10 0 ADAERN COC[C@H](C)Oc1ccc(F)nc1 169213626 1169292755 /nfs/dbraw/zinc/29/27/55/1169292755.db2.gz VJJOHICSKJQQLT-ZETCQYMHSA-N 0 0 185.198 1.634 10 0 ADAERN O=C(c1cccs1)N1CC=CC1 169444078 1169292863 /nfs/dbraw/zinc/29/28/63/1169292863.db2.gz HAJZHCAGTJBORM-UHFFFAOYSA-N 0 0 179.244 1.760 10 0 ADAERN CSCOc1cc(C)c(C)nn1 306437863 674073661 /nfs/dbraw/zinc/07/36/61/674073661.db2.gz HMXKPCBVQXJUEG-UHFFFAOYSA-N 0 0 184.264 1.793 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1C[C@H]1C1CC1 306506734 674073700 /nfs/dbraw/zinc/07/37/00/674073700.db2.gz WBSFGPBSRPMVKT-VHSXEESVSA-N 0 0 179.263 1.867 10 0 ADAERN CON(C)c1nc(C)nc(C)c1C 306435444 674073744 /nfs/dbraw/zinc/07/37/44/674073744.db2.gz DAJPNAWCJNZVNX-UHFFFAOYSA-N 0 0 181.239 1.399 10 0 ADAERN Cc1ccc(C)c(OC(=O)CO)c1 306501805 674073747 /nfs/dbraw/zinc/07/37/47/674073747.db2.gz HBRBSMBNRYIJKX-UHFFFAOYSA-N 0 0 180.203 1.201 10 0 ADAERN CSCS(=O)(=O)C(F)(F)F 306438396 674073749 /nfs/dbraw/zinc/07/37/49/674073749.db2.gz IEWQCLXKUJFDHY-UHFFFAOYSA-N 0 0 194.199 1.242 10 0 ADAERN CCC(=O)OC1CC(C)C1 306504527 674073758 /nfs/dbraw/zinc/07/37/58/674073758.db2.gz ZSQOWHMKVSIUMY-UHFFFAOYSA-N 0 0 142.198 1.738 10 0 ADAERN Cc1ccnc(NCC[C@@H](C)F)n1 306505812 674073805 /nfs/dbraw/zinc/07/38/05/674073805.db2.gz FVMHKRORDMDPHZ-SSDOTTSWSA-N 0 0 183.230 1.945 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)O[C@@H]1CCCOC1 306503111 674073937 /nfs/dbraw/zinc/07/39/37/674073937.db2.gz PICMJQJKOSSFTN-IWSPIJDZSA-N 0 0 184.235 1.365 10 0 ADAERN Cc1noc(OC/C=C/Cl)n1 306503463 674073960 /nfs/dbraw/zinc/07/39/60/674073960.db2.gz HVPWEGGPHZHAJT-NSCUHMNNSA-N 0 0 174.587 1.509 10 0 ADAERN C/C=C(/C)C(=O)NC[C@@H]1C[C@@H]1C 306508528 674073982 /nfs/dbraw/zinc/07/39/82/674073982.db2.gz AZUSSPXTPKUTFP-LSRCEVBISA-N 0 0 167.252 1.725 10 0 ADAERN Cc1ccnc(NCC[C@H](C)F)n1 306505814 674073983 /nfs/dbraw/zinc/07/39/83/674073983.db2.gz FVMHKRORDMDPHZ-ZETCQYMHSA-N 0 0 183.230 1.945 10 0 ADAERN CCC(=O)OCCCCF 306505679 674074098 /nfs/dbraw/zinc/07/40/98/674074098.db2.gz FPLBTFVFZXNAPZ-UHFFFAOYSA-N 0 0 148.177 1.689 10 0 ADAERN CC(C)c1nnnn1C[Si](C)(C)C 306508395 674074196 /nfs/dbraw/zinc/07/41/96/674074196.db2.gz ALTYBDASVCYJGQ-UHFFFAOYSA-N 0 0 198.346 1.674 10 0 ADAERN CC(C)C(=O)NC1(C)CC(F)(F)C1 720912894 674074464 /nfs/dbraw/zinc/07/44/64/674074464.db2.gz QZZLSHRJIGXXIC-UHFFFAOYSA-N 0 0 191.221 1.946 10 0 ADAERN CC1(NC(=O)C2CC2)CC(F)(F)C1 720914121 674074486 /nfs/dbraw/zinc/07/44/86/674074486.db2.gz YOZCCZUBLZQTJJ-UHFFFAOYSA-N 0 0 189.205 1.700 10 0 ADAERN CC[C@H](C)Cc1nc(C2(N)CC2)no1 721044240 674076010 /nfs/dbraw/zinc/07/60/10/674076010.db2.gz UGCNTHXNOHKPPN-ZETCQYMHSA-N 0 0 195.266 1.606 10 0 ADAERN CNC(=S)NC1(C)CC(F)(F)C1 720942435 674074615 /nfs/dbraw/zinc/07/46/15/674074615.db2.gz FIQSUDMLTKZCCH-UHFFFAOYSA-N 0 0 194.250 1.268 10 0 ADAERN C=CC(=O)NCC1(C)CC(F)(F)C1 720949958 674076025 /nfs/dbraw/zinc/07/60/25/674076025.db2.gz RVYASNDNUOBVHF-UHFFFAOYSA-N 0 0 189.205 1.724 10 0 ADAERN CCC(=O)NCC1(C)CC(F)(F)C1 720911188 674074850 /nfs/dbraw/zinc/07/48/50/674074850.db2.gz HREAMCLNDQQQPE-UHFFFAOYSA-N 0 0 191.221 1.948 10 0 ADAERN CC1(NC(=O)C(F)F)CC(F)(F)C1 720911166 674074862 /nfs/dbraw/zinc/07/48/62/674074862.db2.gz HEDWULALCAOUHX-UHFFFAOYSA-N 0 0 199.147 1.556 10 0 ADAERN CNC(=O)NCC1(C)CC(F)(F)C1 720944867 674075029 /nfs/dbraw/zinc/07/50/29/674075029.db2.gz QXSCNZBJFKVSJL-UHFFFAOYSA-N 0 0 192.209 1.351 10 0 ADAERN CC(=O)NCC1(C)CC(F)(F)C1 720912284 674075094 /nfs/dbraw/zinc/07/50/94/674075094.db2.gz OCXLMBXXAAUUPF-UHFFFAOYSA-N 0 0 177.194 1.558 10 0 ADAERN C=CC(=O)NC1(C)CC(F)(F)C1 720935722 674075129 /nfs/dbraw/zinc/07/51/29/674075129.db2.gz CQSVVFDORBYURP-UHFFFAOYSA-N 0 0 175.178 1.476 10 0 ADAERN CCC(=O)NC1(C)CC(F)(F)C1 720910669 674075132 /nfs/dbraw/zinc/07/51/32/674075132.db2.gz BQFCMGNFWYBFDK-UHFFFAOYSA-N 0 0 177.194 1.700 10 0 ADAERN CC1(CNC(N)=O)CC(F)(F)C1 720944347 674075146 /nfs/dbraw/zinc/07/51/46/674075146.db2.gz OHSXSTJOUCISDZ-UHFFFAOYSA-N 0 0 178.182 1.090 10 0 ADAERN COC(=O)NCC1(C)CC(F)(F)C1 720943973 674075170 /nfs/dbraw/zinc/07/51/70/674075170.db2.gz MCQLMSAWSKUSME-UHFFFAOYSA-N 0 0 193.193 1.778 10 0 ADAERN CC[C@@H](C)Cc1nc(C2(N)CC2)no1 721044238 674075986 /nfs/dbraw/zinc/07/59/86/674075986.db2.gz UGCNTHXNOHKPPN-SSDOTTSWSA-N 0 0 195.266 1.606 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(C2(N)CC2)no1 721041419 674076002 /nfs/dbraw/zinc/07/60/02/674076002.db2.gz XHPONFVFDMYSLP-WDSKDSINSA-N 0 0 179.223 1.141 10 0 ADAERN O=C(Oc1ccccc1)N1CCC1 196030261 1169294770 /nfs/dbraw/zinc/29/47/70/1169294770.db2.gz WNWYMOVPYPGMRU-UHFFFAOYSA-N 0 0 177.203 1.891 10 0 ADAERN CCC1(c2nc(C3(N)CC3)no2)CC1 721044208 674076030 /nfs/dbraw/zinc/07/60/30/674076030.db2.gz LXMPUNLVNJYSIL-UHFFFAOYSA-N 0 0 193.250 1.459 10 0 ADAERN C=Cc1cc(C)nn1C 196039582 1169294784 /nfs/dbraw/zinc/29/47/84/1169294784.db2.gz VPLOAXPECGVSGU-UHFFFAOYSA-N 0 0 122.171 1.372 10 0 ADAERN CN(C)C(=O)NC1(C)CC(F)(F)C1 720970634 674076032 /nfs/dbraw/zinc/07/60/32/674076032.db2.gz GEZUUMAUKJWVKN-UHFFFAOYSA-N 0 0 192.209 1.445 10 0 ADAERN CC1CC(c2nc(C3(N)CC3)no2)C1 721063009 674076042 /nfs/dbraw/zinc/07/60/42/674076042.db2.gz DPDUTAAUYPJEKE-UHFFFAOYSA-N 0 0 193.250 1.531 10 0 ADAERN CCNC(=O)NC1(C)CC(F)(F)C1 720978949 674075524 /nfs/dbraw/zinc/07/55/24/674075524.db2.gz UOTREIAACFGSMP-UHFFFAOYSA-N 0 0 192.209 1.493 10 0 ADAERN CC(C)[C@@H](C)c1nc(C2(N)CC2)no1 721044251 674075538 /nfs/dbraw/zinc/07/55/38/674075538.db2.gz ZNTLSWYIMGSRSE-SSDOTTSWSA-N 0 0 195.266 1.777 10 0 ADAERN CCC[C@@H](C)c1nc(C2(N)CC2)no1 721044234 674075568 /nfs/dbraw/zinc/07/55/68/674075568.db2.gz SZZLYUDPKDZFTO-SSDOTTSWSA-N 0 0 195.266 1.921 10 0 ADAERN C[C@H]1C[C@H]1c1nc(C2(N)CC2)no1 721041409 674075570 /nfs/dbraw/zinc/07/55/70/674075570.db2.gz XHPONFVFDMYSLP-NTSWFWBYSA-N 0 0 179.223 1.141 10 0 ADAERN C[C@@H](c1nc(C2(N)CC2)no1)C1CC1 721044243 674075578 /nfs/dbraw/zinc/07/55/78/674075578.db2.gz ULWPSWZDOJPNSL-ZCFIWIBFSA-N 0 0 193.250 1.531 10 0 ADAERN COC(=O)NC1(C)CC(F)(F)C1 720969897 674075581 /nfs/dbraw/zinc/07/55/81/674075581.db2.gz BOVPRKTZXJWOSE-UHFFFAOYSA-N 0 0 179.166 1.530 10 0 ADAERN C/C=C/C(=O)NC1(C)CC(F)(F)C1 720950013 674075584 /nfs/dbraw/zinc/07/55/84/674075584.db2.gz TXYQGEOQIGKCDK-ONEGZZNKSA-N 0 0 189.205 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DTOVLBHWUONESO-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN C=CS(=O)(=O)Nc1cccc(C)c1 202237571 1169308402 /nfs/dbraw/zinc/30/84/02/1169308402.db2.gz OPYGIYMTGCVEJF-UHFFFAOYSA-N 0 0 197.259 1.880 10 0 ADAERN Cc1nc(C(=O)OCC(C)C)co1 202367221 1169308826 /nfs/dbraw/zinc/30/88/26/1169308826.db2.gz CODOYWMEJZCAMU-UHFFFAOYSA-N 0 0 183.207 1.796 10 0 ADAERN CC(=O)[C@@H](C)OC(C)C 202308080 1169308857 /nfs/dbraw/zinc/30/88/57/1169308857.db2.gz GYSOODZMSXFVBP-SSDOTTSWSA-N 0 0 130.187 1.389 10 0 ADAERN CC(=O)[C@H](C)OC(C)C 202308208 1169308903 /nfs/dbraw/zinc/30/89/03/1169308903.db2.gz GYSOODZMSXFVBP-ZETCQYMHSA-N 0 0 130.187 1.389 10 0 ADAERN CC(C)COC(=O)NCC1CC1 202939224 1169309689 /nfs/dbraw/zinc/30/96/89/1169309689.db2.gz JKTQZOADIGHBAZ-UHFFFAOYSA-N 0 0 171.240 1.779 10 0 ADAERN CCc1cnc(N2CCCC2)nc1 203960718 1169310254 /nfs/dbraw/zinc/31/02/54/1169310254.db2.gz ULHYBCPSQDUYRN-UHFFFAOYSA-N 0 0 177.251 1.639 10 0 ADAERN C=Cc1cc2c(nn1)CCOC2 203992894 1169310673 /nfs/dbraw/zinc/31/06/73/1169310673.db2.gz XXLUWRPQGSQDOF-UHFFFAOYSA-N 0 0 162.192 1.192 10 0 ADAERN C=Cc1ccc(S(C)(=O)=O)nc1 204256743 1169311129 /nfs/dbraw/zinc/31/11/29/1169311129.db2.gz MEPVPQHQUHINQX-UHFFFAOYSA-N 0 0 183.232 1.128 10 0 ADAERN C=Cc1cc(C(=O)OC)ccn1 204309579 1169311140 /nfs/dbraw/zinc/31/11/40/1169311140.db2.gz WNSKIJAFKRRAAB-UHFFFAOYSA-N 0 0 163.176 1.511 10 0 ADAERN CCCNc1nnc2ccccc2n1 203832170 1169311801 /nfs/dbraw/zinc/31/18/01/1169311801.db2.gz DFIUOBIRCUUXFO-UHFFFAOYSA-N 0 0 188.234 1.847 10 0 ADAERN Cn1cc(-c2ccc3nccn3n2)cn1 204163394 1169311966 /nfs/dbraw/zinc/31/19/66/1169311966.db2.gz BIWGOPINZAJALH-UHFFFAOYSA-N 0 0 199.217 1.130 10 0 ADAERN CNc1nccc(C[NH+]2CCCC2)n1 203911123 1169312415 /nfs/dbraw/zinc/31/24/15/1169312415.db2.gz OWJZIEUUMATYBB-UHFFFAOYSA-N 0 0 192.266 1.114 10 0 ADAERN OCc1ccc(-c2cccnn2)cc1 203930466 1169312676 /nfs/dbraw/zinc/31/26/76/1169312676.db2.gz MNGDRERBSQUJHR-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN C=Cc1cc2c(nn1)CCC2 203983834 1169312960 /nfs/dbraw/zinc/31/29/60/1169312960.db2.gz YULHZLQDIGRUDN-UHFFFAOYSA-N 0 0 146.193 1.608 10 0 ADAERN CC(C)Oc1ccc(C(N)=O)c(F)c1 204340662 1169313765 /nfs/dbraw/zinc/31/37/65/1169313765.db2.gz BHBSXXKOPSVVAB-UHFFFAOYSA-N 0 0 197.209 1.712 10 0 ADAERN CNC(=S)Nc1nc(C)ccc1C 205132792 1169313965 /nfs/dbraw/zinc/31/39/65/1169313965.db2.gz XOVWGPKAXXNSTK-UHFFFAOYSA-N 0 0 195.291 1.615 10 0 ADAERN NC(=O)OCc1cccc(Cl)c1 204695103 1169314064 /nfs/dbraw/zinc/31/40/64/1169314064.db2.gz BWHRPAUKSWKZKJ-UHFFFAOYSA-N 0 0 185.610 1.935 10 0 ADAERN Cc1cnc(-c2nccs2)cn1 204876461 1169315300 /nfs/dbraw/zinc/31/53/00/1169315300.db2.gz KMXHGACSHWTSKV-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN Cc1cncc(F)c1C 204758968 1169315510 /nfs/dbraw/zinc/31/55/10/1169315510.db2.gz CESHAJKAXZYCHJ-UHFFFAOYSA-N 0 0 125.146 1.838 10 0 ADAERN Cc1nnc(C2(C)CC2)o1 204453477 1169315576 /nfs/dbraw/zinc/31/55/76/1169315576.db2.gz MRRQKBCGQJZAAH-UHFFFAOYSA-N 0 0 138.170 1.430 10 0 ADAERN COCCc1ccc(O)c(OC)c1 204396063 1169315584 /nfs/dbraw/zinc/31/55/84/1169315584.db2.gz CNDNBDYHLLTAOO-UHFFFAOYSA-N 0 0 182.219 1.590 10 0 ADAERN NC(=O)C1(Sc2ccccc2)CC1 204625818 1169315718 /nfs/dbraw/zinc/31/57/18/1169315718.db2.gz AUWOLDDTXOKROY-UHFFFAOYSA-N 0 0 193.271 1.797 10 0 ADAERN c1cnc(-c2ccn3ccnc3c2)nc1 204746255 1169316160 /nfs/dbraw/zinc/31/61/60/1169316160.db2.gz NOSGSPYLJQRILE-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN C[C@H](O)C(=O)OCC1CCCC1 205159667 1169316193 /nfs/dbraw/zinc/31/61/93/1169316193.db2.gz XVXUSHKLXFRCHH-ZETCQYMHSA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)Cc1cc(O)ccc1F 204807404 1169316228 /nfs/dbraw/zinc/31/62/28/1169316228.db2.gz YABMTWVIFKOLHO-UHFFFAOYSA-N 0 0 184.166 1.247 10 0 ADAERN C=Cc1cncc(C(=O)OC)c1C 205134879 1169316302 /nfs/dbraw/zinc/31/63/02/1169316302.db2.gz IRAAVFAXWIGVHF-UHFFFAOYSA-N 0 0 177.203 1.820 10 0 ADAERN CCc1ccc(C(=O)NC)nc1 204556570 1169316719 /nfs/dbraw/zinc/31/67/19/1169316719.db2.gz JULQOXJATSNKSC-UHFFFAOYSA-N 0 0 164.208 1.004 10 0 ADAERN CN(C)C(=O)Cc1cc(F)cc(F)c1 204321055 1169317022 /nfs/dbraw/zinc/31/70/22/1169317022.db2.gz BAKKWFUHJULWQV-UHFFFAOYSA-N 0 0 199.200 1.596 10 0 ADAERN CC[C@H](C)OCn1cncn1 204562730 1169317114 /nfs/dbraw/zinc/31/71/14/1169317114.db2.gz CKWKTIKRJOEWAQ-ZETCQYMHSA-N 0 0 155.201 1.051 10 0 ADAERN CC[C@@H](C)OCn1cncn1 204562717 1169317256 /nfs/dbraw/zinc/31/72/56/1169317256.db2.gz CKWKTIKRJOEWAQ-SSDOTTSWSA-N 0 0 155.201 1.051 10 0 ADAERN COC(=O)Cc1cccc(O)c1C 204768650 1169317277 /nfs/dbraw/zinc/31/72/77/1169317277.db2.gz XGVZNEUPAUSZDA-UHFFFAOYSA-N 0 0 180.203 1.416 10 0 ADAERN Cc1cccc(O[C@@H]2CCOC2=O)c1 205397924 1169317851 /nfs/dbraw/zinc/31/78/51/1169317851.db2.gz YVWHQNOJMCYRHA-SNVBAGLBSA-N 0 0 192.214 1.689 10 0 ADAERN COCCc1ccnc(OC)c1 205321682 1169317904 /nfs/dbraw/zinc/31/79/04/1169317904.db2.gz FEOGLGFWAMCDHJ-UHFFFAOYSA-N 0 0 167.208 1.279 10 0 ADAERN CC(C)Oc1ccc2c(N)n[nH]c2c1 205504324 1169318206 /nfs/dbraw/zinc/31/82/06/1169318206.db2.gz SNRASIDEDGPZCA-UHFFFAOYSA-N 0 0 191.234 1.932 10 0 ADAERN O=C1CCCC[C@@H]1Oc1cccnc1 205302632 1169318226 /nfs/dbraw/zinc/31/82/26/1169318226.db2.gz USUYKHKHPGIVDL-NSHDSACASA-N 0 0 191.230 1.972 10 0 ADAERN Cc1cccc(O[C@H]2CCOC2=O)c1 205397936 1169318267 /nfs/dbraw/zinc/31/82/67/1169318267.db2.gz YVWHQNOJMCYRHA-JTQLQIEISA-N 0 0 192.214 1.689 10 0 ADAERN CCCc1ccc2c(c1)OCC(=O)N2 205503391 1169318553 /nfs/dbraw/zinc/31/85/53/1169318553.db2.gz YIUIRSGJTSYPHJ-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN CN(C)Cc1ncccc1F 205306281 1169320046 /nfs/dbraw/zinc/32/00/46/1169320046.db2.gz FZFSPCGQOJFZTF-UHFFFAOYSA-N 0 0 154.188 1.282 10 0 ADAERN COCCc1ccc(O)c(C#N)c1 205238644 1169318674 /nfs/dbraw/zinc/31/86/74/1169318674.db2.gz XKPGXLWWOILCJL-UHFFFAOYSA-N 0 0 177.203 1.453 10 0 ADAERN CCCCc1cnn(C)c1 205545430 1169319024 /nfs/dbraw/zinc/31/90/24/1169319024.db2.gz QTCJYVJPWUREDL-UHFFFAOYSA-N 0 0 138.214 1.763 10 0 ADAERN COC(=O)CCc1ncccc1F 205256489 1169319415 /nfs/dbraw/zinc/31/94/15/1169319415.db2.gz NALXRLDTZRRFJD-UHFFFAOYSA-N 0 0 183.182 1.326 10 0 ADAERN COCCc1cccc(OC)n1 205321621 1169319537 /nfs/dbraw/zinc/31/95/37/1169319537.db2.gz LUDRZEMPGPIUDD-UHFFFAOYSA-N 0 0 167.208 1.279 10 0 ADAERN CN(C)Cc1ncc(Cl)cn1 205306594 1169320241 /nfs/dbraw/zinc/32/02/41/1169320241.db2.gz JLWGGTUQOGUBJL-UHFFFAOYSA-N 0 0 171.631 1.192 10 0 ADAERN O=C1CCCC[C@H]1Oc1cccnc1 205302617 1169320258 /nfs/dbraw/zinc/32/02/58/1169320258.db2.gz USUYKHKHPGIVDL-LLVKDONJSA-N 0 0 191.230 1.972 10 0 ADAERN CC(C)OCC1CCOCC1 205764451 1169320400 /nfs/dbraw/zinc/32/04/00/1169320400.db2.gz NCTINABYTOPXAN-UHFFFAOYSA-N 0 0 158.241 1.838 10 0 ADAERN CCOc1ccc2c(N)n[nH]c2c1 205506923 1169321213 /nfs/dbraw/zinc/32/12/13/1169321213.db2.gz FENSIVQLZNKXRC-UHFFFAOYSA-N 0 0 177.207 1.544 10 0 ADAERN C=Cc1ccc(NC(C)=O)nc1C 208350286 1169321518 /nfs/dbraw/zinc/32/15/18/1169321518.db2.gz SPYGJQADQNXYFO-UHFFFAOYSA-N 0 0 176.219 1.991 10 0 ADAERN C=Cc1cnc(OC)c(OC)c1 209809276 1169321550 /nfs/dbraw/zinc/32/15/50/1169321550.db2.gz RUGZRKIWNHMXGL-UHFFFAOYSA-N 0 0 165.192 1.742 10 0 ADAERN NC(=O)/C=C/c1cnc2ccccc2n1 208765024 1169321586 /nfs/dbraw/zinc/32/15/86/1169321586.db2.gz OZINRCRYMUBWJV-AATRIKPKSA-N 0 0 199.213 1.128 10 0 ADAERN CCC/C(C)=C\C(N)=O 208745299 1169321677 /nfs/dbraw/zinc/32/16/77/1169321677.db2.gz LDSQZVGQWZYTCM-WAYWQWQTSA-N 0 0 127.187 1.218 10 0 ADAERN CC(C)(C)Cc1ccc(C(N)=O)nc1 207656631 1169321651 /nfs/dbraw/zinc/32/16/51/1169321651.db2.gz SLASXOVKIKVKNW-UHFFFAOYSA-N 0 0 192.262 1.769 10 0 ADAERN C=Cc1cnc2c(c1)OCCO2 208345070 1169321712 /nfs/dbraw/zinc/32/17/12/1169321712.db2.gz DYMKHDROQWGXPZ-UHFFFAOYSA-N 0 0 163.176 1.496 10 0 ADAERN C=Cc1ccc(C)c(N)n1 209756730 1169321783 /nfs/dbraw/zinc/32/17/83/1169321783.db2.gz LSGNFSWWYSAPEJ-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN C=Cc1ccc(C(=O)NC)nc1 209790355 1169322200 /nfs/dbraw/zinc/32/22/00/1169322200.db2.gz DKFHDJCQTOJYPF-UHFFFAOYSA-N 0 0 162.192 1.084 10 0 ADAERN C=Cc1cnc(OC)c(F)c1 209809090 1169322378 /nfs/dbraw/zinc/32/23/78/1169322378.db2.gz UYFRZRXFQCMJLT-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN CC(C)OC(=O)N[C@@H]1CCC[C@@H]1O 208346552 1169322520 /nfs/dbraw/zinc/32/25/20/1169322520.db2.gz MWNRWDAICDXOKE-SFYZADRCSA-N 0 0 187.239 1.034 10 0 ADAERN C=Cc1cc(F)cnc1OC 209809117 1169322669 /nfs/dbraw/zinc/32/26/69/1169322669.db2.gz VRJUIKLFSHWNSD-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1cc(F)ncc1OC 209807753 1169322715 /nfs/dbraw/zinc/32/27/15/1169322715.db2.gz IUDNJCWFTYIFNQ-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1ccncc1N 209822395 1169322861 /nfs/dbraw/zinc/32/28/61/1169322861.db2.gz BFYMEVDGVGEYGK-UHFFFAOYSA-N 0 0 120.155 1.307 10 0 ADAERN CC/C(C)=C\C(=O)NC 209408311 1169322871 /nfs/dbraw/zinc/32/28/71/1169322871.db2.gz DXTNKKNHDRUDPB-WAYWQWQTSA-N 0 0 127.187 1.089 10 0 ADAERN C=Cc1ccnc(F)c1OC 209807934 1169322878 /nfs/dbraw/zinc/32/28/78/1169322878.db2.gz JSPVUAPKZDKMRD-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1cc(OC)ncc1F 209807707 1169322922 /nfs/dbraw/zinc/32/29/22/1169322922.db2.gz NGYMJBCHOJNJGV-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN CO[C@@H]1CCCC2(C1)OCCO2 206919632 1169323076 /nfs/dbraw/zinc/32/30/76/1169323076.db2.gz PQXOGTIVELICCU-MRVPVSSYSA-N 0 0 172.224 1.319 10 0 ADAERN C=Cc1ccc(OC)nc1F 209806916 1169323198 /nfs/dbraw/zinc/32/31/98/1169323198.db2.gz ZCCJKTBEYVEJLT-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1cc(OC)cnc1F 209806867 1169323289 /nfs/dbraw/zinc/32/32/89/1169323289.db2.gz YPYZSHOIPCMVSB-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C/C=C\C(=O)NCC1CC1 209853848 1169323562 /nfs/dbraw/zinc/32/35/62/1169323562.db2.gz RPOJIZYYJQJMJR-IHWYPQMZSA-N 0 0 139.198 1.089 10 0 ADAERN C=Cc1cc(OC)c(F)cn1 209807528 1169323630 /nfs/dbraw/zinc/32/36/30/1169323630.db2.gz SZMRCKOGSUASRF-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1cnccc1F 209822444 1169323746 /nfs/dbraw/zinc/32/37/46/1169323746.db2.gz XZAFSPICOJGWBW-UHFFFAOYSA-N 0 0 123.130 1.864 10 0 ADAERN CO[C@H]1CCCC2(C1)OCCO2 206919672 1169324105 /nfs/dbraw/zinc/32/41/05/1169324105.db2.gz PQXOGTIVELICCU-QMMMGPOBSA-N 0 0 172.224 1.319 10 0 ADAERN C=Cc1nc(F)ccc1OC 209807400 1169324215 /nfs/dbraw/zinc/32/42/15/1169324215.db2.gz MVYPOJGGQMXZQQ-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1nccc(OC)c1F 209807448 1169324255 /nfs/dbraw/zinc/32/42/55/1169324255.db2.gz YCRKJXZTRVSMOS-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1ccc(COC)cn1 209805291 1169324289 /nfs/dbraw/zinc/32/42/89/1169324289.db2.gz JEAMPAZEELXKDG-UHFFFAOYSA-N 0 0 149.193 1.871 10 0 ADAERN C=Cc1c(OC)ccnc1F 209806968 1169324613 /nfs/dbraw/zinc/32/46/13/1169324613.db2.gz DTMNJSRPINGDGB-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN CCC/C=C\C(=O)NC 208748597 1169324695 /nfs/dbraw/zinc/32/46/95/1169324695.db2.gz NWKOBYCRQRQNAL-WAYWQWQTSA-N 0 0 127.187 1.089 10 0 ADAERN C=Cc1cnc2c(c1)NC(=O)CO2 208344246 1169324760 /nfs/dbraw/zinc/32/47/60/1169324760.db2.gz LUJRRMHDFLLRGN-UHFFFAOYSA-N 0 0 176.175 1.056 10 0 ADAERN C=Cc1ccc(OC)c(F)n1 209807208 1169324794 /nfs/dbraw/zinc/32/47/94/1169324794.db2.gz WHKZLHMUUMEUGN-UHFFFAOYSA-N 0 0 153.156 1.872 10 0 ADAERN C=Cc1cc(COC)ccn1 209805250 1169324810 /nfs/dbraw/zinc/32/48/10/1169324810.db2.gz MOIWKWJRMAXWGM-UHFFFAOYSA-N 0 0 149.193 1.871 10 0 ADAERN C=Cc1cc(N)c(F)cn1 209823683 1169324974 /nfs/dbraw/zinc/32/49/74/1169324974.db2.gz FJNOTVNCNHXYSO-UHFFFAOYSA-N 0 0 138.145 1.446 10 0 ADAERN CC(=O)[C@H](C)Oc1ccc(O)cc1 210364546 1169325079 /nfs/dbraw/zinc/32/50/79/1169325079.db2.gz ZUVKWWIHADJAII-QMMMGPOBSA-N 0 0 180.203 1.749 10 0 ADAERN C[C@H]([NH2+][C@H](C)c1nnn[n-]1)C(C)(C)C 686247329 1430136224 /nfs/dbraw/zinc/13/62/24/1430136224.db2.gz XLOJQTDHQUEEHL-RQJHMYQMSA-N 0 0 197.286 1.285 10 0 ADAERN CC/C=C(\C)C(=O)N[C@@H](CO)C(C)C 211124974 1169325516 /nfs/dbraw/zinc/32/55/16/1169325516.db2.gz AZIGHFNYTMNREQ-ZKXNXJMVSA-N 0 0 199.294 1.476 10 0 ADAERN Cc1n[nH]cc1Nc1ncccc1N 211398289 1169325751 /nfs/dbraw/zinc/32/57/51/1169325751.db2.gz DGCSHHZZKFNYSQ-UHFFFAOYSA-N 0 0 189.222 1.439 10 0 ADAERN Nc1cccnc1Nc1cn[nH]c1 211394966 1169326412 /nfs/dbraw/zinc/32/64/12/1169326412.db2.gz ZXJMOEANNWTYDO-UHFFFAOYSA-N 0 0 175.195 1.131 10 0 ADAERN C/C=C\C(=O)N(C)C[C@H]1CCCCO1 211187481 1169326443 /nfs/dbraw/zinc/32/64/43/1169326443.db2.gz DWCXFPVCQVKLDK-XICOKMJESA-N 0 0 197.278 1.590 10 0 ADAERN Nc1cccnc1Nc1ccncn1 211383857 1169326553 /nfs/dbraw/zinc/32/65/53/1169326553.db2.gz AELASNWWVSROKX-UHFFFAOYSA-N 0 0 187.206 1.197 10 0 ADAERN Nc1cccnc1Nc1cncnc1 211382512 1169326586 /nfs/dbraw/zinc/32/65/86/1169326586.db2.gz ZBZIMNGQPWHORT-UHFFFAOYSA-N 0 0 187.206 1.197 10 0 ADAERN C/C=C\C(=O)Nc1ccc(CO)cc1 211215520 1169326834 /nfs/dbraw/zinc/32/68/34/1169326834.db2.gz OWLPMABQNFBCAB-IHWYPQMZSA-N 0 0 191.230 1.694 10 0 ADAERN C/C=C/C=C\C(=O)N[C@@H](CO)C(C)C 211123018 1169327046 /nfs/dbraw/zinc/32/70/46/1169327046.db2.gz PTPZDLJBSWKXBR-IAYQKGBCSA-N 0 0 197.278 1.252 10 0 ADAERN Nc1cnccc1-c1cc[nH]n1 212090103 1169330988 /nfs/dbraw/zinc/33/09/88/1169330988.db2.gz YKJCWBRPVCKNOL-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN C/C=C\C(=O)N(C)C[C@@H]1CCCCO1 211187424 1169328890 /nfs/dbraw/zinc/32/88/90/1169328890.db2.gz DWCXFPVCQVKLDK-NWPZZWLHSA-N 0 0 197.278 1.590 10 0 ADAERN C/C=C\C(=O)N(C)CCC(F)(F)F 211195369 1169329141 /nfs/dbraw/zinc/32/91/41/1169329141.db2.gz DDKPQCHDOXOTGZ-ARJAWSKDSA-N 0 0 195.184 1.973 10 0 ADAERN O=C1CC[C@H](CNc2ccccc2)N1 212420252 1169330010 /nfs/dbraw/zinc/33/00/10/1169330010.db2.gz CWCPUAHEVQYPHC-SNVBAGLBSA-N 0 0 190.246 1.377 10 0 ADAERN Oc1ccc(OC2COC2)cc1 212238608 1169330138 /nfs/dbraw/zinc/33/01/38/1169330138.db2.gz WPOYVTONWSIZCS-UHFFFAOYSA-N 0 0 166.176 1.170 10 0 ADAERN COc1ncc(N)c2ccccc12 211745154 1169330327 /nfs/dbraw/zinc/33/03/27/1169330327.db2.gz PDFXBZBPFXAEOQ-UHFFFAOYSA-N 0 0 174.203 1.826 10 0 ADAERN Nc1ccnc(-c2cc[nH]n2)c1 212089823 1169330718 /nfs/dbraw/zinc/33/07/18/1169330718.db2.gz YUYUGBKWOVCDMY-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN CN1CC(Oc2ccc(O)cc2)C1 212811370 1169330857 /nfs/dbraw/zinc/33/08/57/1169330857.db2.gz HLKWLJCXFRNHID-UHFFFAOYSA-N 0 0 179.219 1.085 10 0 ADAERN COC(=O)c1ccc2oncc2c1 212687122 1169331006 /nfs/dbraw/zinc/33/10/06/1169331006.db2.gz GLKUSCPYBWNWTL-UHFFFAOYSA-N 0 0 177.159 1.614 10 0 ADAERN Oc1ccccc1OC1COC1 212238419 1169331095 /nfs/dbraw/zinc/33/10/95/1169331095.db2.gz ZQSMGKPUXJHLDA-UHFFFAOYSA-N 0 0 166.176 1.170 10 0 ADAERN CN1CC(Oc2cccc(O)c2)C1 212811180 1169331258 /nfs/dbraw/zinc/33/12/58/1169331258.db2.gz OVGNGVFTIQIPQJ-UHFFFAOYSA-N 0 0 179.219 1.085 10 0 ADAERN CN1CC(Oc2ccccc2O)C1 212810998 1169331556 /nfs/dbraw/zinc/33/15/56/1169331556.db2.gz JLONFPFHFZZLMO-UHFFFAOYSA-N 0 0 179.219 1.085 10 0 ADAERN CSc1cc(N(C)C)ncn1 212659089 1169332097 /nfs/dbraw/zinc/33/20/97/1169332097.db2.gz VIPYGEPUMNIBDP-UHFFFAOYSA-N 0 0 169.253 1.265 10 0 ADAERN CCCCCOC[C@@H]1COC(=O)O1 211794385 1169332244 /nfs/dbraw/zinc/33/22/44/1169332244.db2.gz HBAVKSNTFWMQPU-MRVPVSSYSA-N 0 0 188.223 1.729 10 0 ADAERN Nc1ccc(-c2cc[nH]n2)cc1F 212759065 1169332322 /nfs/dbraw/zinc/33/23/22/1169332322.db2.gz XRZVHGXGMZXAFU-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Oc1cccc(OC2COC2)c1 212238508 1169332404 /nfs/dbraw/zinc/33/24/04/1169332404.db2.gz UNEPKHDARMFLSU-UHFFFAOYSA-N 0 0 166.176 1.170 10 0 ADAERN Nc1cccc(-c2cc[nH]n2)n1 212090014 1169332618 /nfs/dbraw/zinc/33/26/18/1169332618.db2.gz HZHCTVHUETTZMN-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN COc1ccncc1NC(C)C 212252224 1169332646 /nfs/dbraw/zinc/33/26/46/1169332646.db2.gz PQOJMZYLWPAQIW-UHFFFAOYSA-N 0 0 166.224 1.911 10 0 ADAERN CCc1cncc(C(C)(C)O)c1 212222349 1169332663 /nfs/dbraw/zinc/33/26/63/1169332663.db2.gz LDPDZCZUHZBANR-UHFFFAOYSA-N 0 0 165.236 1.871 10 0 ADAERN CCCCCOC[C@H]1COC(=O)O1 211794467 1169332736 /nfs/dbraw/zinc/33/27/36/1169332736.db2.gz HBAVKSNTFWMQPU-QMMMGPOBSA-N 0 0 188.223 1.729 10 0 ADAERN OCc1cccc(CC(F)F)c1 212512099 1169332894 /nfs/dbraw/zinc/33/28/94/1169332894.db2.gz IKOBLOVWRUVRHB-UHFFFAOYSA-N 0 0 172.174 1.987 10 0 ADAERN Nc1ccc(-c2cc[nH]n2)nc1 212089911 1169333016 /nfs/dbraw/zinc/33/30/16/1169333016.db2.gz DMCBZRCQWXKPKR-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN OCc1ccc(CC(F)F)cc1 212512377 1169333165 /nfs/dbraw/zinc/33/31/65/1169333165.db2.gz FNAHKFYHXIDYIV-UHFFFAOYSA-N 0 0 172.174 1.987 10 0 ADAERN COc1ccc(O)cc1OC1CC1 212851349 1169333632 /nfs/dbraw/zinc/33/36/32/1169333632.db2.gz NEAACAIHNNGRHM-UHFFFAOYSA-N 0 0 180.203 1.942 10 0 ADAERN COc1cccc(O)c1OC1CC1 212851444 1169333693 /nfs/dbraw/zinc/33/36/93/1169333693.db2.gz PLGGGQNCIKJPOS-UHFFFAOYSA-N 0 0 180.203 1.942 10 0 ADAERN Nc1ccccc1-c1ncccc1N 213513766 1169333709 /nfs/dbraw/zinc/33/37/09/1169333709.db2.gz MOYMJRIBLCNSCF-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN COc1cc(O)ccc1OC1CC1 212851252 1169333924 /nfs/dbraw/zinc/33/39/24/1169333924.db2.gz JEUXBHUWRMUIJS-UHFFFAOYSA-N 0 0 180.203 1.942 10 0 ADAERN Cc1nccnc1Nc1cnn(C)c1 214364390 1169334905 /nfs/dbraw/zinc/33/49/05/1169334905.db2.gz TWSOTMARFCRSFU-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN Cc1nccnc1NCC(F)(F)F 214456397 1169334948 /nfs/dbraw/zinc/33/49/48/1169334948.db2.gz GRXBRCLSVFKDGJ-UHFFFAOYSA-N 0 0 191.156 1.759 10 0 ADAERN CC[C@H](C)Nc1nccnc1C 214383062 1169334957 /nfs/dbraw/zinc/33/49/57/1169334957.db2.gz LZHXFIZXUMCSAU-ZETCQYMHSA-N 0 0 165.240 1.995 10 0 ADAERN CC[C@@H](C)Nc1nccnc1C 214383001 1169334984 /nfs/dbraw/zinc/33/49/84/1169334984.db2.gz LZHXFIZXUMCSAU-SSDOTTSWSA-N 0 0 165.240 1.995 10 0 ADAERN Cc1nccnc1N[C@@H](CO)C(C)C 214404971 1169335038 /nfs/dbraw/zinc/33/50/38/1169335038.db2.gz RMCKNGOKIMVMBZ-VIFPVBQESA-N 0 0 195.266 1.214 10 0 ADAERN CCO[C@H]1CCn2ccnc21 216319616 1169335637 /nfs/dbraw/zinc/33/56/37/1169335637.db2.gz JQWPXXDXBYRHIY-ZETCQYMHSA-N 0 0 152.197 1.364 10 0 ADAERN O=C1OCC[C@@H]1Oc1ccc(O)cc1 217097721 1169335906 /nfs/dbraw/zinc/33/59/06/1169335906.db2.gz WLPLXVQHDAKKHD-VIFPVBQESA-N 0 0 194.186 1.087 10 0 ADAERN O=C1OCC[C@H]1Oc1ccc(O)cc1 217097702 1169336508 /nfs/dbraw/zinc/33/65/08/1169336508.db2.gz WLPLXVQHDAKKHD-SECBINFHSA-N 0 0 194.186 1.087 10 0 ADAERN N#Cc1ccc(SCCON)cc1 217433773 1169336627 /nfs/dbraw/zinc/33/66/27/1169336627.db2.gz XTTRLWRENDRBKH-UHFFFAOYSA-N 0 0 194.259 1.541 10 0 ADAERN Cc1cncc(-c2cn[nH]c2)n1 217585561 1169338336 /nfs/dbraw/zinc/33/83/36/1169338336.db2.gz BNGDLHHKLYNRKR-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN CC(C)Oc1c(N)ncnc1Cl 218677874 1169340189 /nfs/dbraw/zinc/34/01/89/1169340189.db2.gz HZKJGIMGLMRAMM-UHFFFAOYSA-N 0 0 187.630 1.499 10 0 ADAERN CC(=O)O[C@@H](C)C1CCC1 218203949 1169340260 /nfs/dbraw/zinc/34/02/60/1169340260.db2.gz WRGWQOYMQRZVPI-LURJTMIESA-N 0 0 142.198 1.738 10 0 ADAERN CC[C@@H](O)CCNc1nncs1 218861442 1169340409 /nfs/dbraw/zinc/34/04/09/1169340409.db2.gz CVTDVADHXGPZAH-ZCFIWIBFSA-N 0 0 187.268 1.111 10 0 ADAERN CC[C@H](O)CCNc1nncs1 218861504 1169341671 /nfs/dbraw/zinc/34/16/71/1169341671.db2.gz CVTDVADHXGPZAH-LURJTMIESA-N 0 0 187.268 1.111 10 0 ADAERN Nc1nc(Cl)cc2nccnc12 218551410 1169341691 /nfs/dbraw/zinc/34/16/91/1169341691.db2.gz FEOJHZPYDXTIKE-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN CN(C)Cc1nnc(C(C)(C)C)o1 218374952 1169341776 /nfs/dbraw/zinc/34/17/76/1169341776.db2.gz BYCXNZWMXLXFKO-UHFFFAOYSA-N 0 0 183.255 1.429 10 0 ADAERN CNC(=O)/C=C/c1ccc(C=O)cc1 218658053 1169341798 /nfs/dbraw/zinc/34/17/98/1169341798.db2.gz IISKXMVUIJLBBI-VOTSOKGWSA-N 0 0 189.214 1.258 10 0 ADAERN Nc1ccc(-c2cn[nH]c2)nc1 218643039 1169341977 /nfs/dbraw/zinc/34/19/77/1169341977.db2.gz ZDNGQOMMWATOGZ-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN CC(=O)Nc1cc(C2CC2)nn1C 218793369 1169342912 /nfs/dbraw/zinc/34/29/12/1169342912.db2.gz ZSMFGGCWVAATBO-UHFFFAOYSA-N 0 0 179.223 1.256 10 0 ADAERN CCCc1nnc(C(=O)C2CC2)o1 218968785 1169344261 /nfs/dbraw/zinc/34/42/61/1169344261.db2.gz LKQFTSXVKWNPMN-UHFFFAOYSA-N 0 0 180.207 1.615 10 0 ADAERN CCSC[C@@H](C)N1CCC(=O)C1 219541841 1169345345 /nfs/dbraw/zinc/34/53/45/1169345345.db2.gz NNIDCZZGOQVONJ-MRVPVSSYSA-N 0 0 187.308 1.403 10 0 ADAERN CCSC[C@@H](C)NCC(F)F 219468087 1169345785 /nfs/dbraw/zinc/34/57/85/1169345785.db2.gz JELNEBMTPDITMM-ZCFIWIBFSA-N 0 0 183.267 1.983 10 0 ADAERN CCCNc1ncc(CC)cn1 219724539 1169345862 /nfs/dbraw/zinc/34/58/62/1169345862.db2.gz UPJBBYNRSYNJHD-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN CCSC[C@H](C)N1CCC(=O)C1 219541912 1169345928 /nfs/dbraw/zinc/34/59/28/1169345928.db2.gz NNIDCZZGOQVONJ-QMMMGPOBSA-N 0 0 187.308 1.403 10 0 ADAERN CC(C)(O)c1nnc(C2CCCC2)o1 219536921 1169346047 /nfs/dbraw/zinc/34/60/47/1169346047.db2.gz FWXKBUDYOOZIOY-UHFFFAOYSA-N 0 0 196.250 1.955 10 0 ADAERN CC[C@@H](C)S(=O)(=O)N(C)CC 219597257 1169346076 /nfs/dbraw/zinc/34/60/76/1169346076.db2.gz QZPYOSZKAYDXQA-SSDOTTSWSA-N 0 0 179.285 1.066 10 0 ADAERN CCc1nc(C)cc(N(C)C)n1 219671821 1169346283 /nfs/dbraw/zinc/34/62/83/1169346283.db2.gz YCLWOBFJMVSSFQ-UHFFFAOYSA-N 0 0 165.240 1.413 10 0 ADAERN CCSC[C@H](C)NCC(F)F 219468163 1169346386 /nfs/dbraw/zinc/34/63/86/1169346386.db2.gz JELNEBMTPDITMM-LURJTMIESA-N 0 0 183.267 1.983 10 0 ADAERN CC[C@H](C)S(=O)(=O)N(C)CC 219597332 1169346447 /nfs/dbraw/zinc/34/64/47/1169346447.db2.gz QZPYOSZKAYDXQA-ZETCQYMHSA-N 0 0 179.285 1.066 10 0 ADAERN O=C(NO)c1ccc2scnc2c1 219566662 1169346501 /nfs/dbraw/zinc/34/65/01/1169346501.db2.gz VQLSJNDBJHZPTO-UHFFFAOYSA-N 0 0 194.215 1.415 10 0 ADAERN CNC(=O)/C=C/C1(C)CCOCC1 219924176 1169346694 /nfs/dbraw/zinc/34/66/94/1169346694.db2.gz AVVHRGHVMUMIFE-ONEGZZNKSA-N 0 0 183.251 1.105 10 0 ADAERN CCSC[C@H](C)NC#N 219502275 1169346940 /nfs/dbraw/zinc/34/69/40/1169346940.db2.gz LGFILIIAXRXUSC-LURJTMIESA-N 0 0 144.243 1.199 10 0 ADAERN CCSC[C@@H](C)NC#N 219502204 1169347398 /nfs/dbraw/zinc/34/73/98/1169347398.db2.gz LGFILIIAXRXUSC-ZCFIWIBFSA-N 0 0 144.243 1.199 10 0 ADAERN COC(=O)Nc1ccncc1C 219908283 1169347443 /nfs/dbraw/zinc/34/74/43/1169347443.db2.gz BMNSOUKIRWBHDD-UHFFFAOYSA-N 0 0 166.180 1.568 10 0 ADAERN Cc1cc2cc(N)ncc2[nH]1 219843652 1169347779 /nfs/dbraw/zinc/34/77/79/1169347779.db2.gz QGCQGSNXLUMKTQ-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN CC(C)c1cnn(CC(C)(C)O)c1 220007450 1169348581 /nfs/dbraw/zinc/34/85/81/1169348581.db2.gz HHJCCLACYNMLSX-UHFFFAOYSA-N 0 0 182.267 1.777 10 0 ADAERN C/C=C\C(=O)N(C)CC 219967564 1169348644 /nfs/dbraw/zinc/34/86/44/1169348644.db2.gz KMJRDOJYALQIFZ-XQRVVYSFSA-N 0 0 127.187 1.041 10 0 ADAERN Cc1noc(N[C@@H]2CCCC[C@H]2O)n1 221240795 1169349027 /nfs/dbraw/zinc/34/90/27/1169349027.db2.gz TWNSEVOIVBLJHB-HTQZYQBOSA-N 0 0 197.238 1.093 10 0 ADAERN COC(=O)C1(c2cc(C)no2)CC1 221069391 1169349145 /nfs/dbraw/zinc/34/91/45/1169349145.db2.gz CVVGCOOHVZNANH-UHFFFAOYSA-N 0 0 181.191 1.188 10 0 ADAERN Cc1noc(NC(C2CC2)C2CC2)n1 221232652 1169350047 /nfs/dbraw/zinc/35/00/47/1169350047.db2.gz YSZGEMFQFZSFDZ-UHFFFAOYSA-N 0 0 193.250 1.979 10 0 ADAERN Cc1noc(N[C@@H](CCO)C(C)C)n1 221249133 1169350314 /nfs/dbraw/zinc/35/03/14/1169350314.db2.gz RBLVEIHIQUUQCT-QMMMGPOBSA-N 0 0 199.254 1.197 10 0 ADAERN CCC(O)(CC)CNc1nc(C)no1 221240261 1169350640 /nfs/dbraw/zinc/35/06/40/1169350640.db2.gz LXVJDGHDHYCLLT-UHFFFAOYSA-N 0 0 199.254 1.341 10 0 ADAERN Cc1cccc(O[C@@H]2CCOC2)n1 221300821 1169351059 /nfs/dbraw/zinc/35/10/59/1169351059.db2.gz UGGJCNUVSHJGLU-SECBINFHSA-N 0 0 179.219 1.558 10 0 ADAERN Cc1noc(N[C@H]2CCCC[C@@H]2O)n1 221240739 1169351066 /nfs/dbraw/zinc/35/10/66/1169351066.db2.gz TWNSEVOIVBLJHB-YUMQZZPRSA-N 0 0 197.238 1.093 10 0 ADAERN CCCCCS(=O)(=O)C(F)F 220795770 1169351286 /nfs/dbraw/zinc/35/12/86/1169351286.db2.gz WNFGABCGJZDYNE-UHFFFAOYSA-N 0 0 186.223 1.814 10 0 ADAERN CC[C@H](CCO)CNc1nc(C)no1 221251365 1169351398 /nfs/dbraw/zinc/35/13/98/1169351398.db2.gz SLHAWWLDCAUCDP-MRVPVSSYSA-N 0 0 199.254 1.199 10 0 ADAERN Cc1cc(CNc2nc(C)no2)on1 221238606 1169351620 /nfs/dbraw/zinc/35/16/20/1169351620.db2.gz CCFVBTJJONVGNV-UHFFFAOYSA-N 0 0 194.194 1.287 10 0 ADAERN Cc1noc(N[C@H](CCO)C(C)C)n1 221249194 1169351947 /nfs/dbraw/zinc/35/19/47/1169351947.db2.gz RBLVEIHIQUUQCT-MRVPVSSYSA-N 0 0 199.254 1.197 10 0 ADAERN CC[C@@H](CCO)CNc1nc(C)no1 221251303 1169351976 /nfs/dbraw/zinc/35/19/76/1169351976.db2.gz SLHAWWLDCAUCDP-QMMMGPOBSA-N 0 0 199.254 1.199 10 0 ADAERN CCc1cnn(C2CCOCC2)c1 221291205 1169352080 /nfs/dbraw/zinc/35/20/80/1169352080.db2.gz SWEONMSHYRKSMV-UHFFFAOYSA-N 0 0 180.251 1.797 10 0 ADAERN Cc1noc(N[C@@H](CO)CC(C)C)n1 221242846 1169352226 /nfs/dbraw/zinc/35/22/26/1169352226.db2.gz RZBCENJHNGUJQX-MRVPVSSYSA-N 0 0 199.254 1.197 10 0 ADAERN C[C@H]1CCN(C(=O)C2CCC2)C[C@@H]1O 221836788 1169352721 /nfs/dbraw/zinc/35/27/21/1169352721.db2.gz DRNRXKBUXDNHAZ-WPRPVWTQSA-N 0 0 197.278 1.016 10 0 ADAERN CCCOC(=O)CCC[C@@H](C)O 221501365 1169352823 /nfs/dbraw/zinc/35/28/23/1169352823.db2.gz KXWAYLHUDAQIFA-MRVPVSSYSA-N 0 0 174.240 1.491 10 0 ADAERN C[C@H]1CCN(C(=O)C2CCC2)C[C@H]1O 221836897 1169354124 /nfs/dbraw/zinc/35/41/24/1169354124.db2.gz DRNRXKBUXDNHAZ-WCBMZHEXSA-N 0 0 197.278 1.016 10 0 ADAERN c1ccn2c(C3CC3)nnc2c1 222825152 1169359599 /nfs/dbraw/zinc/35/95/99/1169359599.db2.gz UDYZGYUPECYTNZ-UHFFFAOYSA-N 0 0 159.192 1.607 10 0 ADAERN C[C@@H]1CCN(C(=O)C2CCC2)C[C@H]1O 221836845 1169353275 /nfs/dbraw/zinc/35/32/75/1169353275.db2.gz DRNRXKBUXDNHAZ-PSASIEDQSA-N 0 0 197.278 1.016 10 0 ADAERN CCCOC(=O)CCC[C@H](C)O 221501420 1169353738 /nfs/dbraw/zinc/35/37/38/1169353738.db2.gz KXWAYLHUDAQIFA-QMMMGPOBSA-N 0 0 174.240 1.491 10 0 ADAERN CCc1ccc(CO)cc1OC 221875367 1169354501 /nfs/dbraw/zinc/35/45/01/1169354501.db2.gz XVDIMIRMZWGAFF-UHFFFAOYSA-N 0 0 166.220 1.750 10 0 ADAERN Nc1ncc(CCc2ccccc2)cn1 221513331 1169354794 /nfs/dbraw/zinc/35/47/94/1169354794.db2.gz DSPLWEOOSACWCB-UHFFFAOYSA-N 0 0 199.257 1.844 10 0 ADAERN COC(=O)c1ccc(OC2CC2)cn1 221450352 1169354801 /nfs/dbraw/zinc/35/48/01/1169354801.db2.gz NBBOXSHLCZDMBT-UHFFFAOYSA-N 0 0 193.202 1.409 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](O)C1 221867626 1169354960 /nfs/dbraw/zinc/35/49/60/1169354960.db2.gz MOOAZCLQCNHHDJ-AEJSXWLSSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1O 221836736 1169355110 /nfs/dbraw/zinc/35/51/10/1169355110.db2.gz DRNRXKBUXDNHAZ-SCZZXKLOSA-N 0 0 197.278 1.016 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@H](C)[C@@H](O)C1 221867734 1169355419 /nfs/dbraw/zinc/35/54/19/1169355419.db2.gz MOOAZCLQCNHHDJ-GUBZILKMSA-N 0 0 199.294 1.262 10 0 ADAERN CCNc1ncncc1C 221822278 1169355910 /nfs/dbraw/zinc/35/59/10/1169355910.db2.gz GCVCIKBRPSEYQC-UHFFFAOYSA-N 0 0 137.186 1.217 10 0 ADAERN C/C=C(\C)C(=O)NC1CC1 221688009 1169356054 /nfs/dbraw/zinc/35/60/54/1169356054.db2.gz ARMFPDIBDHRSQP-ZZXKWVIFSA-N 0 0 139.198 1.231 10 0 ADAERN CC[C@@H](C)S(=O)(=O)N1CCCC1 222525382 1169357764 /nfs/dbraw/zinc/35/77/64/1169357764.db2.gz KGSRSWMUTVHVPH-MRVPVSSYSA-N 0 0 191.296 1.211 10 0 ADAERN CCOC(=O)CCCc1ncc[nH]1 222601012 1169358026 /nfs/dbraw/zinc/35/80/26/1169358026.db2.gz PXPSJCRGDVGOKD-UHFFFAOYSA-N 0 0 182.223 1.296 10 0 ADAERN COC(=O)c1cc2ccncc2o1 222440178 1169359049 /nfs/dbraw/zinc/35/90/49/1169359049.db2.gz VZMGTXQESYPCDY-UHFFFAOYSA-N 0 0 177.159 1.614 10 0 ADAERN CC[C@H](C)S(=O)(=O)N1CCCC1 222525446 1169359131 /nfs/dbraw/zinc/35/91/31/1169359131.db2.gz KGSRSWMUTVHVPH-QMMMGPOBSA-N 0 0 191.296 1.211 10 0 ADAERN C[C@H]1CC[C@@H](OCCO)C1 223973305 1169360204 /nfs/dbraw/zinc/36/02/04/1169360204.db2.gz CKUJHKHACJDICI-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN CCCN([C@@H](C)CC)S(C)(=O)=O 223698278 1169360426 /nfs/dbraw/zinc/36/04/26/1169360426.db2.gz NGXMWENNEJPCNF-QMMMGPOBSA-N 0 0 193.312 1.457 10 0 ADAERN CNC(=O)c1cc2ncccc2o1 223974167 1169360477 /nfs/dbraw/zinc/36/04/77/1169360477.db2.gz YJRNXFLZZCAUEW-UHFFFAOYSA-N 0 0 176.175 1.187 10 0 ADAERN NC(=O)Cc1c(F)ccc(F)c1F 224018348 1169360710 /nfs/dbraw/zinc/36/07/10/1169360710.db2.gz XAQHZRFTWAVMBN-UHFFFAOYSA-N 0 0 189.136 1.132 10 0 ADAERN Cc1nccc(Nc2ccccn2)n1 224047964 1169360831 /nfs/dbraw/zinc/36/08/31/1169360831.db2.gz ZHRQAUGZCGTPAE-UHFFFAOYSA-N 0 0 186.218 1.924 10 0 ADAERN COc1cc(C(N)=O)ccc1C(C)C 224147558 1169361149 /nfs/dbraw/zinc/36/11/49/1169361149.db2.gz SVLIBSVDYYXXID-UHFFFAOYSA-N 0 0 193.246 1.918 10 0 ADAERN FC(F)(F)COc1cnccn1 224078745 1169362045 /nfs/dbraw/zinc/36/20/45/1169362045.db2.gz NIOFCYRJNZTXQC-UHFFFAOYSA-N 0 0 178.113 1.418 10 0 ADAERN C[C@@H]1CC[C@@H](OCCO)C1 223973259 1169362473 /nfs/dbraw/zinc/36/24/73/1169362473.db2.gz CKUJHKHACJDICI-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1cncc(OC2CC2)c1 223923025 1169362749 /nfs/dbraw/zinc/36/27/49/1169362749.db2.gz JGZSZIKGAOPPQO-UHFFFAOYSA-N 0 0 149.193 1.931 10 0 ADAERN CC(C)S(=O)(=O)NCC1(C)CC1 224011288 1169363115 /nfs/dbraw/zinc/36/31/15/1169363115.db2.gz XRYKRLYTCCWEQX-UHFFFAOYSA-N 0 0 191.296 1.114 10 0 ADAERN Nc1ccc(F)cc1C(=O)N1CCC1 224910185 1169363851 /nfs/dbraw/zinc/36/38/51/1169363851.db2.gz SUYYOYJSAJITBI-UHFFFAOYSA-N 0 0 194.209 1.254 10 0 ADAERN COc1cccc(NC[C@H](C)OC)n1 224357498 1169363900 /nfs/dbraw/zinc/36/39/00/1169363900.db2.gz POFHEWPRBAHPQL-QMMMGPOBSA-N 0 0 196.250 1.537 10 0 ADAERN CO[C@@H](C)CNc1ncccc1C 224335857 1169364164 /nfs/dbraw/zinc/36/41/64/1169364164.db2.gz ANEHAGPVOOSJSP-VIFPVBQESA-N 0 0 180.251 1.837 10 0 ADAERN COc1cccc(NC[C@@H](C)OC)n1 224357449 1169364267 /nfs/dbraw/zinc/36/42/67/1169364267.db2.gz POFHEWPRBAHPQL-MRVPVSSYSA-N 0 0 196.250 1.537 10 0 ADAERN CO[C@H](C)CNc1ccc(CO)cn1 224526915 1169365079 /nfs/dbraw/zinc/36/50/79/1169365079.db2.gz ONFWRMCETHCVBA-MRVPVSSYSA-N 0 0 196.250 1.021 10 0 ADAERN COC(=O)Cc1cnn(C(C)(C)C)c1 224682626 1169365375 /nfs/dbraw/zinc/36/53/75/1169365375.db2.gz AWNUKGXTMVDOTH-UHFFFAOYSA-N 0 0 196.250 1.354 10 0 ADAERN CN[C@@H](C)c1nnc([C@H]2C[C@@H]2C)o1 224820221 1169365727 /nfs/dbraw/zinc/36/57/27/1169365727.db2.gz GZHQHCLWTVMRMH-ACZMJKKPSA-N 0 0 181.239 1.473 10 0 ADAERN COC(=O)c1ncc(CC(C)C)cn1 224652039 1169365861 /nfs/dbraw/zinc/36/58/61/1169365861.db2.gz ZCRPZOKXKLCGEA-UHFFFAOYSA-N 0 0 194.234 1.462 10 0 ADAERN C=Cc1ccc(-n2cncn2)c(C#N)c1 224851444 1169366351 /nfs/dbraw/zinc/36/63/51/1169366351.db2.gz DGJRUGFVOWCFSG-UHFFFAOYSA-N 0 0 196.213 1.782 10 0 ADAERN CN[C@@H](C)c1nnc([C@@H]2C[C@@H]2C)o1 224820177 1169366440 /nfs/dbraw/zinc/36/64/40/1169366440.db2.gz GZHQHCLWTVMRMH-LYFYHCNISA-N 0 0 181.239 1.473 10 0 ADAERN CO[C@@H](C)CNc1ccc(CO)cn1 224526864 1169367092 /nfs/dbraw/zinc/36/70/92/1169367092.db2.gz ONFWRMCETHCVBA-QMMMGPOBSA-N 0 0 196.250 1.021 10 0 ADAERN Nc1cc(F)ccc1C(=O)N1CCC1 224880191 1169367118 /nfs/dbraw/zinc/36/71/18/1169367118.db2.gz CYRISLIPXYCGPG-UHFFFAOYSA-N 0 0 194.209 1.254 10 0 ADAERN Cc1noc(C)c1NC(=O)N(C)C 225214974 1169367786 /nfs/dbraw/zinc/36/77/86/1169367786.db2.gz LICAJGAKTFBRQW-UHFFFAOYSA-N 0 0 183.211 1.385 10 0 ADAERN CC(C)S(=O)(=O)N(C)C(C)(C)C 225557896 1169367803 /nfs/dbraw/zinc/36/78/03/1169367803.db2.gz KIRFOGRIROVTNS-UHFFFAOYSA-N 0 0 193.312 1.455 10 0 ADAERN Cc1cnn(Cc2ccncc2)c1 225008883 1169368415 /nfs/dbraw/zinc/36/84/15/1169368415.db2.gz GESXFJQPTLEKDT-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN Fc1ccc(O[C@@H]2CCCOC2)cn1 225357618 1169368451 /nfs/dbraw/zinc/36/84/51/1169368451.db2.gz HREHBWCVTRUWKX-SECBINFHSA-N 0 0 197.209 1.779 10 0 ADAERN Fc1ncccc1O[C@H]1CCCOC1 225356942 1169368492 /nfs/dbraw/zinc/36/84/92/1169368492.db2.gz CVFLIVQKJVGUJE-QMMMGPOBSA-N 0 0 197.209 1.779 10 0 ADAERN O=C(Nc1cccnc1)N1CCC1 224926698 1169368515 /nfs/dbraw/zinc/36/85/15/1169368515.db2.gz UQJJJTDDAJPRHZ-UHFFFAOYSA-N 0 0 177.207 1.319 10 0 ADAERN Fc1ccc(O[C@H]2CCCOC2)cn1 225357658 1169368936 /nfs/dbraw/zinc/36/89/36/1169368936.db2.gz HREHBWCVTRUWKX-VIFPVBQESA-N 0 0 197.209 1.779 10 0 ADAERN CCOC(=O)CCCCc1cn[nH]c1 225347104 1169369144 /nfs/dbraw/zinc/36/91/44/1169369144.db2.gz JCOAUXHDKJZGNX-UHFFFAOYSA-N 0 0 196.250 1.686 10 0 ADAERN c1cncc(O[C@@H]2CCCOC2)c1 225344532 1169369191 /nfs/dbraw/zinc/36/91/91/1169369191.db2.gz OTUIZCANQHLVLJ-SNVBAGLBSA-N 0 0 179.219 1.639 10 0 ADAERN CC(C)(CO)CO[C@@H]1CCCOC1 224979055 1169369686 /nfs/dbraw/zinc/36/96/86/1169369686.db2.gz HKDTWEBLEFOYCM-SECBINFHSA-N 0 0 188.267 1.201 10 0 ADAERN Fc1ncccc1O[C@@H]1CCCOC1 225356903 1169369664 /nfs/dbraw/zinc/36/96/64/1169369664.db2.gz CVFLIVQKJVGUJE-MRVPVSSYSA-N 0 0 197.209 1.779 10 0 ADAERN CCOC(=O)CCCc1cn[nH]c1 225318418 1169370122 /nfs/dbraw/zinc/37/01/22/1169370122.db2.gz ZVZRTHPOTGTUKK-UHFFFAOYSA-N 0 0 182.223 1.296 10 0 ADAERN CCNC(=O)c1c(C)cccc1F 225150569 1169370168 /nfs/dbraw/zinc/37/01/68/1169370168.db2.gz RXLAOVBVJGPQMH-UHFFFAOYSA-N 0 0 181.210 1.884 10 0 ADAERN CC(C)(CO)CO[C@H]1CCCOC1 224979097 1169370248 /nfs/dbraw/zinc/37/02/48/1169370248.db2.gz HKDTWEBLEFOYCM-VIFPVBQESA-N 0 0 188.267 1.201 10 0 ADAERN c1cncc(O[C@H]2CCCOC2)c1 225344567 1169370846 /nfs/dbraw/zinc/37/08/46/1169370846.db2.gz OTUIZCANQHLVLJ-JTQLQIEISA-N 0 0 179.219 1.639 10 0 ADAERN CSCCOC[C@@H]1CCCCO1 225765413 1169371368 /nfs/dbraw/zinc/37/13/68/1169371368.db2.gz YCSCSMAARPVSDL-VIFPVBQESA-N 0 0 190.308 1.935 10 0 ADAERN CCC[C@@H](CC(=O)OCC)OC 225905937 1169371508 /nfs/dbraw/zinc/37/15/08/1169371508.db2.gz RQYBDPQGWQDWMH-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN C[C@@H](C(N)=O)[C@@H](C)C(C)(C)C 225882149 1169371643 /nfs/dbraw/zinc/37/16/43/1169371643.db2.gz IOMYWLGLLAZEOQ-RNFRBKRXSA-N 0 0 157.257 1.790 10 0 ADAERN C[C@H](C(N)=O)[C@H](C)C(C)(C)C 225882165 1169371908 /nfs/dbraw/zinc/37/19/08/1169371908.db2.gz IOMYWLGLLAZEOQ-BQBZGAKWSA-N 0 0 157.257 1.790 10 0 ADAERN C[C@@H]([C@@H](C)C(N)=O)C(C)(C)C 225882181 1169371917 /nfs/dbraw/zinc/37/19/17/1169371917.db2.gz IOMYWLGLLAZEOQ-RQJHMYQMSA-N 0 0 157.257 1.790 10 0 ADAERN COC(C)(C)C(=O)N(C)CC1CCC1 225732944 1169372009 /nfs/dbraw/zinc/37/20/09/1169372009.db2.gz YWANUOFPHHXOCW-UHFFFAOYSA-N 0 0 199.294 1.670 10 0 ADAERN CSCCOC[C@H]1CCCCO1 225765430 1169372038 /nfs/dbraw/zinc/37/20/38/1169372038.db2.gz YCSCSMAARPVSDL-SECBINFHSA-N 0 0 190.308 1.935 10 0 ADAERN CCC[C@H](CC(=O)OCC)OC 225905954 1169372183 /nfs/dbraw/zinc/37/21/83/1169372183.db2.gz RQYBDPQGWQDWMH-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN C[C@H](C(N)=O)[C@@H](C)C(C)(C)C 225882134 1169372201 /nfs/dbraw/zinc/37/22/01/1169372201.db2.gz IOMYWLGLLAZEOQ-NKWVEPMBSA-N 0 0 157.257 1.790 10 0 ADAERN c1cncc(COc2cnccn2)c1 225903573 1169372780 /nfs/dbraw/zinc/37/27/80/1169372780.db2.gz HWDCSKZVSGIDKN-UHFFFAOYSA-N 0 0 187.202 1.451 10 0 ADAERN CSCCOC(C)C 226382296 1169373224 /nfs/dbraw/zinc/37/32/24/1169373224.db2.gz CNRRIZJZFHNBEZ-UHFFFAOYSA-N 0 0 134.244 1.774 10 0 ADAERN Cc1noc(NC[C@@H](O)CC(C)C)n1 226132490 1169373569 /nfs/dbraw/zinc/37/35/69/1169373569.db2.gz WHAWOVLVUNHYSH-QMMMGPOBSA-N 0 0 199.254 1.197 10 0 ADAERN CC(C)CN(CCO)CC(F)(F)F 226199194 1169373593 /nfs/dbraw/zinc/37/35/93/1169373593.db2.gz JUGIMPVCFBDYSB-UHFFFAOYSA-N 0 0 199.216 1.499 10 0 ADAERN Cc1nn(C)cc1Nc1ncccn1 226226715 1169373744 /nfs/dbraw/zinc/37/37/44/1169373744.db2.gz WYHYKWBFSMWJBS-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN C[C@@H](OC(C)(C)C)[C@H]1COC(=O)N1 226111841 1169373820 /nfs/dbraw/zinc/37/38/20/1169373820.db2.gz OSAYOZFIIYKOOW-RNFRBKRXSA-N 0 0 187.239 1.298 10 0 ADAERN Cc1nn(C)cc1NC(=O)NC1CC1 226230398 1169374149 /nfs/dbraw/zinc/37/41/49/1169374149.db2.gz XCPICMAYMUZVIY-UHFFFAOYSA-N 0 0 194.238 1.012 10 0 ADAERN CCONC(=O)c1ccc(O)cc1F 226267534 1169375651 /nfs/dbraw/zinc/37/56/51/1169375651.db2.gz PQYGVPVUZOXVIQ-UHFFFAOYSA-N 0 0 199.181 1.213 10 0 ADAERN CCCS(=O)(=O)c1cccnc1 226372782 1169375793 /nfs/dbraw/zinc/37/57/93/1169375793.db2.gz CZFJMAVQQSENBQ-UHFFFAOYSA-N 0 0 185.248 1.265 10 0 ADAERN Cc1noc(NC[C@H](O)CC(C)C)n1 226132498 1169376279 /nfs/dbraw/zinc/37/62/79/1169376279.db2.gz WHAWOVLVUNHYSH-MRVPVSSYSA-N 0 0 199.254 1.197 10 0 ADAERN CCOC(=O)c1ccc(C(=O)OC)o1 226494503 1169377629 /nfs/dbraw/zinc/37/76/29/1169377629.db2.gz BTVUKTBYLQXYLX-UHFFFAOYSA-N 0 0 198.174 1.243 10 0 ADAERN COC(=O)C1(NC2CCCC2)CC1 226559560 1169378377 /nfs/dbraw/zinc/37/83/77/1169378377.db2.gz RLUQWJXAHVERBP-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CC(C)CONC(=O)[C@@H]1CC1(C)C 228735275 1169380797 /nfs/dbraw/zinc/38/07/97/1169380797.db2.gz PPNRLQDNRZKYSB-QMMMGPOBSA-N 0 0 185.267 1.736 10 0 ADAERN CO[C@H](C)CN[C@H](C)C(F)F 228522821 1169381008 /nfs/dbraw/zinc/38/10/08/1169381008.db2.gz OZWONOFBLDOVOU-PHDIDXHHSA-N 0 0 167.199 1.265 10 0 ADAERN Cc1noc(NCCC[C@@H](C)CO)n1 228426958 1169382159 /nfs/dbraw/zinc/38/21/59/1169382159.db2.gz UZHHSSKNEIQPGI-SSDOTTSWSA-N 0 0 199.254 1.199 10 0 ADAERN Cc1cncc(-c2cc(N)ncn2)c1 227972567 1169382189 /nfs/dbraw/zinc/38/21/89/1169382189.db2.gz LYBBLYMHSXKQOG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cncc(-c2cnc(N)cn2)c1 227963213 1169382441 /nfs/dbraw/zinc/38/24/41/1169382441.db2.gz QSEJYOFLRGBZOU-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN COC[C@H](C)N[C@@H](C)C(F)F 228478518 1169382446 /nfs/dbraw/zinc/38/24/46/1169382446.db2.gz BGBAYKJLKLKJLX-WDSKDSINSA-N 0 0 167.199 1.265 10 0 ADAERN CC1(C)C[C@@H]1C(=O)NCc1cn[nH]c1 228774501 1169382679 /nfs/dbraw/zinc/38/26/79/1169382679.db2.gz URBGRBDWBPYDER-MRVPVSSYSA-N 0 0 193.250 1.072 10 0 ADAERN COC[C@@H](C)N[C@H](C)C(F)F 228478526 1169382667 /nfs/dbraw/zinc/38/26/67/1169382667.db2.gz BGBAYKJLKLKJLX-PHDIDXHHSA-N 0 0 167.199 1.265 10 0 ADAERN Cc1cncc(-c2ccc(N)nn2)c1 227971996 1169383038 /nfs/dbraw/zinc/38/30/38/1169383038.db2.gz LOCFORKOGPVJJN-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN COC[C@H](C)N[C@H](C)C(F)F 228478529 1169383062 /nfs/dbraw/zinc/38/30/62/1169383062.db2.gz BGBAYKJLKLKJLX-NTSWFWBYSA-N 0 0 167.199 1.265 10 0 ADAERN CO[C@@H](C)CN[C@@H](C)C(F)F 228522806 1169383188 /nfs/dbraw/zinc/38/31/88/1169383188.db2.gz OZWONOFBLDOVOU-WDSKDSINSA-N 0 0 167.199 1.265 10 0 ADAERN CO[C@H](C)CN[C@@H](C)C(F)F 228522811 1169383399 /nfs/dbraw/zinc/38/33/99/1169383399.db2.gz OZWONOFBLDOVOU-RITPCOANSA-N 0 0 167.199 1.265 10 0 ADAERN Cc1noc(NCCC[C@H](C)CO)n1 228426971 1169383602 /nfs/dbraw/zinc/38/36/02/1169383602.db2.gz UZHHSSKNEIQPGI-ZETCQYMHSA-N 0 0 199.254 1.199 10 0 ADAERN COC[C@@H](C)N[C@@H](C)C(F)F 228478512 1169383681 /nfs/dbraw/zinc/38/36/81/1169383681.db2.gz BGBAYKJLKLKJLX-RITPCOANSA-N 0 0 167.199 1.265 10 0 ADAERN Cc1nc(CNC2CCCCC2)no1 228300652 1169383739 /nfs/dbraw/zinc/38/37/39/1169383739.db2.gz OXVVVSXAHKRQSV-UHFFFAOYSA-N 0 0 195.266 1.800 10 0 ADAERN CO[C@@H](C)CN[C@H](C)C(F)F 228522815 1169384010 /nfs/dbraw/zinc/38/40/10/1169384010.db2.gz OZWONOFBLDOVOU-NTSWFWBYSA-N 0 0 167.199 1.265 10 0 ADAERN CSCC[C@@H](C)N1CCC(=O)C1 228966296 1169385080 /nfs/dbraw/zinc/38/50/80/1169385080.db2.gz AJLHZNGXTUMTQS-MRVPVSSYSA-N 0 0 187.308 1.403 10 0 ADAERN CSCC[C@H](C)N1CCC(=O)C1 228966303 1169385141 /nfs/dbraw/zinc/38/51/41/1169385141.db2.gz AJLHZNGXTUMTQS-QMMMGPOBSA-N 0 0 187.308 1.403 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CCC[C@H]1CO 229571282 1169391980 /nfs/dbraw/zinc/39/19/80/1169391980.db2.gz SNVRFMAWWFMIKF-UWVGGRQHSA-N 0 0 197.278 1.230 10 0 ADAERN COC(=O)[C@@H](C)OCCC1CC1 229407157 1169386214 /nfs/dbraw/zinc/38/62/14/1169386214.db2.gz WQYGZCCZFLITNL-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN CSCCCC[NH2+][C@H](C)C(=O)[O-] 229213694 1169386757 /nfs/dbraw/zinc/38/67/57/1169386757.db2.gz XOVPZLRJLVPFDC-SSDOTTSWSA-N 0 0 191.296 1.192 10 0 ADAERN Cn1cc[nH+]c1Nc1cccnc1 229311553 1169387253 /nfs/dbraw/zinc/38/72/53/1169387253.db2.gz SUBYMRAHGSCTLN-UHFFFAOYSA-N 0 0 174.207 1.559 10 0 ADAERN CC(=O)[C@@H](C)OCCC1CC1 229506398 1169387378 /nfs/dbraw/zinc/38/73/78/1169387378.db2.gz DDTUFPQPDMCICS-MRVPVSSYSA-N 0 0 156.225 1.781 10 0 ADAERN CCOC(=O)[C@H](C)OCCC1CC1 229407466 1169387401 /nfs/dbraw/zinc/38/74/01/1169387401.db2.gz NKTTTWSPZMNZQD-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1ccoc1C[NH2+][C@@H](CO)C(C)C 229478612 1169387715 /nfs/dbraw/zinc/38/77/15/1169387715.db2.gz IGNUNIBTOHPQQZ-JTQLQIEISA-N 0 0 197.278 1.695 10 0 ADAERN CC(C)OC(=O)COCCC1CC1 229407481 1169388462 /nfs/dbraw/zinc/38/84/62/1169388462.db2.gz IBNUJXYHBYVCPL-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)[C@H](C)OCCC1CC1 229506409 1169388662 /nfs/dbraw/zinc/38/86/62/1169388662.db2.gz DDTUFPQPDMCICS-QMMMGPOBSA-N 0 0 156.225 1.781 10 0 ADAERN CCCNC(=O)N1CCC(=O)[C@H](C)C1 229501824 1169389349 /nfs/dbraw/zinc/38/93/49/1169389349.db2.gz CNYARVUBAOTBQH-MRVPVSSYSA-N 0 0 198.266 1.017 10 0 ADAERN CSCCCC[NH2+][C@@H](C)C(=O)[O-] 229213685 1169389758 /nfs/dbraw/zinc/38/97/58/1169389758.db2.gz XOVPZLRJLVPFDC-ZETCQYMHSA-N 0 0 191.296 1.192 10 0 ADAERN CCCNC(=O)N1CCC(=O)[C@@H](C)C1 229501810 1169390094 /nfs/dbraw/zinc/39/00/94/1169390094.db2.gz CNYARVUBAOTBQH-QMMMGPOBSA-N 0 0 198.266 1.017 10 0 ADAERN CCOC(=O)CCc1ccnc(C)c1 229586483 1169391057 /nfs/dbraw/zinc/39/10/57/1169391057.db2.gz UQSJLSJQVXITMK-UHFFFAOYSA-N 0 0 193.246 1.886 10 0 ADAERN COC[C@H](C)NC1(C(F)(F)F)CC1 229650285 1169391200 /nfs/dbraw/zinc/39/12/00/1169391200.db2.gz PXJRIOZNFDJYJT-LURJTMIESA-N 0 0 197.200 1.706 10 0 ADAERN CCNC(=O)NC1(C(F)(F)F)CC1 229671202 1169391661 /nfs/dbraw/zinc/39/16/61/1169391661.db2.gz DKIQIOJLQHXCBO-UHFFFAOYSA-N 0 0 196.172 1.400 10 0 ADAERN CC(C)CC(=O)N[C@H]1CCC[C@H]1CO 229561994 1169391693 /nfs/dbraw/zinc/39/16/93/1169391693.db2.gz ZSCNYLJEMSIDIP-UWVGGRQHSA-N 0 0 199.294 1.310 10 0 ADAERN COC[C@@H](C)NC1(C(F)(F)F)CC1 229650278 1169392017 /nfs/dbraw/zinc/39/20/17/1169392017.db2.gz PXJRIOZNFDJYJT-ZCFIWIBFSA-N 0 0 197.200 1.706 10 0 ADAERN COC(=O)NC1(C(F)(F)F)CC1 229671144 1169392226 /nfs/dbraw/zinc/39/22/26/1169392226.db2.gz GZRWLLXFSXDLCW-UHFFFAOYSA-N 0 0 183.129 1.437 10 0 ADAERN C=CC(=O)NC1(C(F)(F)F)CC1 229670482 1169392350 /nfs/dbraw/zinc/39/23/50/1169392350.db2.gz GIKICGRXBCHBOT-UHFFFAOYSA-N 0 0 179.141 1.384 10 0 ADAERN Cc1cc(-c2cc(N)ncn2)ccn1 229600047 1169392672 /nfs/dbraw/zinc/39/26/72/1169392672.db2.gz JIIUXDYBRWIYAH-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN O=C1CC(OCCC2CC2)C1 229586330 1169392725 /nfs/dbraw/zinc/39/27/25/1169392725.db2.gz OFDLZQRQKVOHTL-UHFFFAOYSA-N 0 0 154.209 1.535 10 0 ADAERN CCC1(Nc2cc(N)ncn2)CCC1 229571191 1169392798 /nfs/dbraw/zinc/39/27/98/1169392798.db2.gz GJLIDECDRGEFLY-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CO 229563713 1169392834 /nfs/dbraw/zinc/39/28/34/1169392834.db2.gz MQDKZMWYERGNKS-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN CCC1(Nc2ccnc(N)n2)CCC1 229573034 1169392864 /nfs/dbraw/zinc/39/28/64/1169392864.db2.gz SWULYZLOIJPYTB-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN Cc1cc(-c2cnc(N)cn2)ccn1 229579928 1169392924 /nfs/dbraw/zinc/39/29/24/1169392924.db2.gz UWAPGMULUZRRNR-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN O=C(N[C@@H]1CCC[C@@H]1CO)C1CCC1 229566267 1169393171 /nfs/dbraw/zinc/39/31/71/1169393171.db2.gz HPKMKGLFSNTZDJ-NXEZZACHSA-N 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/nfs/dbraw/zinc/39/53/88/1169395388.db2.gz WXDBDXLZZSTWNA-MRVPVSSYSA-N 0 0 189.255 1.140 10 0 ADAERN Cc1ccc(NC[C@H](O)C(C)C)nc1 229997143 1169395672 /nfs/dbraw/zinc/39/56/72/1169395672.db2.gz YFJFBUGRKNXHCI-JTQLQIEISA-N 0 0 194.278 1.819 10 0 ADAERN C[C@H]1CCN(c2nccs2)C[C@@H]1O 230264611 1169395770 /nfs/dbraw/zinc/39/57/70/1169395770.db2.gz DKOHQMWYICFPCD-YUMQZZPRSA-N 0 0 198.291 1.350 10 0 ADAERN COc1cc(-c2nccs2)ncn1 230186023 1169395916 /nfs/dbraw/zinc/39/59/16/1169395916.db2.gz GSQDPNFEMZPFHP-UHFFFAOYSA-N 0 0 193.231 1.609 10 0 ADAERN C[C@@H]1CCN(c2nccs2)C[C@@H]1O 230264606 1169396253 /nfs/dbraw/zinc/39/62/53/1169396253.db2.gz DKOHQMWYICFPCD-SFYZADRCSA-N 0 0 198.291 1.350 10 0 ADAERN CC[C@@H](O)CNc1ccnc(F)c1 230011981 1169396907 /nfs/dbraw/zinc/39/69/07/1169396907.db2.gz QMQFKYUFBNNGOC-MRVPVSSYSA-N 0 0 184.214 1.404 10 0 ADAERN CC(C)[C@@H](O)CNc1ccnc(F)c1 230012486 1169396642 /nfs/dbraw/zinc/39/66/42/1169396642.db2.gz KDGHLMJPQSSEKK-VIFPVBQESA-N 0 0 198.241 1.650 10 0 ADAERN C=CC(=O)N1CC[C@@H](C)[C@@H](OC)C1 230234094 1169396949 /nfs/dbraw/zinc/39/69/49/1169396949.db2.gz CEKIURLMIFRADG-BDAKNGLRSA-N 0 0 183.251 1.056 10 0 ADAERN CC(C)[C@H](O)CNc1ccnc(F)c1 230012487 1169397104 /nfs/dbraw/zinc/39/71/04/1169397104.db2.gz KDGHLMJPQSSEKK-SECBINFHSA-N 0 0 198.241 1.650 10 0 ADAERN CCC[C@@H](C)OCC(=O)OC 230426637 1169397498 /nfs/dbraw/zinc/39/74/98/1169397498.db2.gz JLLHKZVHYDBEAG-SSDOTTSWSA-N 0 0 160.213 1.365 10 0 ADAERN CCC[C@@H](C)OCCC(N)=O 230591528 1169397649 /nfs/dbraw/zinc/39/76/49/1169397649.db2.gz RNXODVOKUYRYPE-SSDOTTSWSA-N 0 0 159.229 1.067 10 0 ADAERN O=c1[nH]cccc1Nc1ccccn1 230481268 1169398556 /nfs/dbraw/zinc/39/85/56/1169398556.db2.gz OWBQXBLDIGPAOX-UHFFFAOYSA-N 0 0 187.202 1.514 10 0 ADAERN CCCNC(=O)c1ccc(O)cc1C 230304045 1169398857 /nfs/dbraw/zinc/39/88/57/1169398857.db2.gz FHBNMGHIPOQXMV-UHFFFAOYSA-N 0 0 193.246 1.840 10 0 ADAERN O=C(Cc1ccccc1)N1CC=CC1 230455338 1169398990 /nfs/dbraw/zinc/39/89/90/1169398990.db2.gz FUSMJXHEOKRHMK-UHFFFAOYSA-N 0 0 187.242 1.628 10 0 ADAERN CCC[C@H](C)OCC(OC)OC 230554886 1169399128 /nfs/dbraw/zinc/39/91/28/1169399128.db2.gz QKAJSGBKKWYIOX-QMMMGPOBSA-N 0 0 176.256 1.811 10 0 ADAERN CCC[C@@H](C)OCCC(=O)OC 230427129 1169399588 /nfs/dbraw/zinc/39/95/88/1169399588.db2.gz CDUQJSSKTIEHLS-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN CCC[C@@H](C)OCC(OC)OC 230554850 1169399648 /nfs/dbraw/zinc/39/96/48/1169399648.db2.gz QKAJSGBKKWYIOX-MRVPVSSYSA-N 0 0 176.256 1.811 10 0 ADAERN CCC[C@H](C)OCC(=O)OC 230426638 1169400051 /nfs/dbraw/zinc/40/00/51/1169400051.db2.gz JLLHKZVHYDBEAG-ZETCQYMHSA-N 0 0 160.213 1.365 10 0 ADAERN CCC[C@H](C)OCC(=O)OCC 230427352 1169400193 /nfs/dbraw/zinc/40/01/93/1169400193.db2.gz ILBJBMMQDTVAFD-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN CCNC(=O)Nc1cc(C)nc(C)c1 230524342 1169400389 /nfs/dbraw/zinc/40/03/89/1169400389.db2.gz YKKBYVHFGABLKX-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN Cc1cc(O)ccc1C(=O)NC(C)C 230303884 1169400458 /nfs/dbraw/zinc/40/04/58/1169400458.db2.gz VDKDCACRQWCHIF-UHFFFAOYSA-N 0 0 193.246 1.839 10 0 ADAERN CCN(C)C(=O)c1ccc(O)cc1C 230304339 1169400488 /nfs/dbraw/zinc/40/04/88/1169400488.db2.gz DLONQLGDINRBAZ-UHFFFAOYSA-N 0 0 193.246 1.793 10 0 ADAERN CCC[C@H](C)OCCC(N)=O 230591565 1169400624 /nfs/dbraw/zinc/40/06/24/1169400624.db2.gz RNXODVOKUYRYPE-ZETCQYMHSA-N 0 0 159.229 1.067 10 0 ADAERN CC(C)(C)ONC(=O)[C@@H]1CC1(C)C 230513164 1169400685 /nfs/dbraw/zinc/40/06/85/1169400685.db2.gz BLRBGJAFFIBMHK-ZETCQYMHSA-N 0 0 185.267 1.879 10 0 ADAERN CCC[C@H](C)OCCC(=O)OC 230427133 1169400760 /nfs/dbraw/zinc/40/07/60/1169400760.db2.gz CDUQJSSKTIEHLS-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN Cc1nn(C)cc1Nc1cccnn1 230908322 1169401522 /nfs/dbraw/zinc/40/15/22/1169401522.db2.gz RFAWSNANUVZTAA-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN OC[C@@H]1CCC[C@@H]1Nc1cccnn1 230912171 1169401533 /nfs/dbraw/zinc/40/15/33/1169401533.db2.gz JIDMQZZZILBOTO-IUCAKERBSA-N 0 0 193.250 1.050 10 0 ADAERN CCC[C@@](C)(O)CNc1nc(C)no1 230716493 1169401707 /nfs/dbraw/zinc/40/17/07/1169401707.db2.gz LHUKBFQDRZKBEK-SECBINFHSA-N 0 0 199.254 1.341 10 0 ADAERN CC[C@H](C)Oc1nccnc1N 230672622 1169401780 /nfs/dbraw/zinc/40/17/80/1169401780.db2.gz QZRGSQPWRUFABJ-LURJTMIESA-N 0 0 167.212 1.236 10 0 ADAERN CC[C@@H](C)Oc1nccnc1N 230672619 1169401848 /nfs/dbraw/zinc/40/18/48/1169401848.db2.gz QZRGSQPWRUFABJ-ZCFIWIBFSA-N 0 0 167.212 1.236 10 0 ADAERN CCC[C@](C)(O)CNc1nc(C)no1 230716494 1169401922 /nfs/dbraw/zinc/40/19/22/1169401922.db2.gz LHUKBFQDRZKBEK-VIFPVBQESA-N 0 0 199.254 1.341 10 0 ADAERN Fc1cccc(-c2cncnc2)n1 231246719 1169402723 /nfs/dbraw/zinc/40/27/23/1169402723.db2.gz GGCYDBDPMWBTBU-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN OC[C@@H]1CCC[C@@H]1Nc1ccncn1 231324196 1169402840 /nfs/dbraw/zinc/40/28/40/1169402840.db2.gz FWYOLUDBXHTECL-IUCAKERBSA-N 0 0 193.250 1.050 10 0 ADAERN CO[C@@H]1CC[C@H](Nc2cnccn2)C1 231683890 1169403681 /nfs/dbraw/zinc/40/36/81/1169403681.db2.gz SPIHSOBGDWAFRK-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN CCCC(=O)N[C@H]1CC[C@@H](OC)C1 231687465 1169403805 /nfs/dbraw/zinc/40/38/05/1169403805.db2.gz GFQPNVJRNSJXDF-DTWKUNHWSA-N 0 0 185.267 1.470 10 0 ADAERN CO[C@@H]1CC[C@@H](Nc2ncccn2)C1 231682207 1169403835 /nfs/dbraw/zinc/40/38/35/1169403835.db2.gz CXAZCBJIECGWFA-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)C1 231679520 1169403868 /nfs/dbraw/zinc/40/38/68/1169403868.db2.gz JFUVOQYFAHVJOL-BDAKNGLRSA-N 0 0 195.266 1.067 10 0 ADAERN CCCC(=O)N[C@@H]1CC[C@H](OC)C1 231687468 1169403999 /nfs/dbraw/zinc/40/39/99/1169403999.db2.gz GFQPNVJRNSJXDF-BDAKNGLRSA-N 0 0 185.267 1.470 10 0 ADAERN CO[C@H]1CC[C@@H](Nc2cnccn2)C1 231683887 1169404076 /nfs/dbraw/zinc/40/40/76/1169404076.db2.gz SPIHSOBGDWAFRK-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@H]1CC[C@@H](Nc2ncccn2)C1 231682210 1169404088 /nfs/dbraw/zinc/40/40/88/1169404088.db2.gz CXAZCBJIECGWFA-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@H]1CC[C@H](Nc2ncccn2)C1 231682216 1169404114 /nfs/dbraw/zinc/40/41/14/1169404114.db2.gz CXAZCBJIECGWFA-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 231679526 1169404169 /nfs/dbraw/zinc/40/41/69/1169404169.db2.gz JFUVOQYFAHVJOL-IUCAKERBSA-N 0 0 195.266 1.067 10 0 ADAERN CO[C@@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)C1 231679518 1169404179 /nfs/dbraw/zinc/40/41/79/1169404179.db2.gz JFUVOQYFAHVJOL-RKDXNWHRSA-N 0 0 195.266 1.067 10 0 ADAERN CCCC(=O)N[C@@H]1CC[C@@H](OC)C1 231687462 1169404257 /nfs/dbraw/zinc/40/42/57/1169404257.db2.gz GFQPNVJRNSJXDF-RKDXNWHRSA-N 0 0 185.267 1.470 10 0 ADAERN CCCC(=O)N[C@H]1CC[C@H](OC)C1 231687471 1169404319 /nfs/dbraw/zinc/40/43/19/1169404319.db2.gz GFQPNVJRNSJXDF-IUCAKERBSA-N 0 0 185.267 1.470 10 0 ADAERN CO[C@H]1CC[C@H](Nc2cnccn2)C1 231683894 1169404423 /nfs/dbraw/zinc/40/44/23/1169404423.db2.gz SPIHSOBGDWAFRK-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 231679523 1169404520 /nfs/dbraw/zinc/40/45/20/1169404520.db2.gz JFUVOQYFAHVJOL-DTWKUNHWSA-N 0 0 195.266 1.067 10 0 ADAERN CO[C@@H]1CC[C@@H](Nc2cnccn2)C1 231683884 1169404570 /nfs/dbraw/zinc/40/45/70/1169404570.db2.gz SPIHSOBGDWAFRK-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@@H]1CC[C@H](Nc2ncccn2)C1 231682213 1169404700 /nfs/dbraw/zinc/40/47/00/1169404700.db2.gz CXAZCBJIECGWFA-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN C=CC(=O)Nc1cncc(C)c1 232074302 1169405270 /nfs/dbraw/zinc/40/52/70/1169405270.db2.gz IBNWCJJNBGSPTL-UHFFFAOYSA-N 0 0 162.192 1.515 10 0 ADAERN Cn1ccc(-c2cc(N)ccc2F)n1 231978087 1169405278 /nfs/dbraw/zinc/40/52/78/1169405278.db2.gz PSETVVSIDNBBME-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN CO[C@H](C)[C@@H](C)Nc1nncs1 232288366 1169405321 /nfs/dbraw/zinc/40/53/21/1169405321.db2.gz XAAANLTUSCLLKO-PHDIDXHHSA-N 0 0 187.268 1.373 10 0 ADAERN CC(C)(C)NC(=O)NCc1ccno1 231884908 1169405369 /nfs/dbraw/zinc/40/53/69/1169405369.db2.gz TZHUYRQXJQVMQF-UHFFFAOYSA-N 0 0 197.238 1.272 10 0 ADAERN Cc1ccnc(NCc2ncon2)c1 231828177 1169405448 /nfs/dbraw/zinc/40/54/48/1169405448.db2.gz NGVLTDBCEVKHDH-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1nc(N)ccc1-c1ccn(C)n1 231977969 1169405532 /nfs/dbraw/zinc/40/55/32/1169405532.db2.gz LGGMPCBNNGEQNM-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCn1ncc(NCC(C)C)cc1=O 232383180 1169405579 /nfs/dbraw/zinc/40/55/79/1169405579.db2.gz GRNJMUJMQPZEJK-UHFFFAOYSA-N 0 0 195.266 1.331 10 0 ADAERN Fc1cccc(NCc2ncon2)n1 231838985 1169405691 /nfs/dbraw/zinc/40/56/91/1169405691.db2.gz YDJWMSNEXJYITM-UHFFFAOYSA-N 0 0 194.169 1.216 10 0 ADAERN Fc1ccc(NCc2ncon2)nc1 231827533 1169405718 /nfs/dbraw/zinc/40/57/18/1169405718.db2.gz LZSSELOIXZZHBK-UHFFFAOYSA-N 0 0 194.169 1.216 10 0 ADAERN CO[C@@H](C)[C@@H](C)Nc1nncs1 232288364 1169405830 /nfs/dbraw/zinc/40/58/30/1169405830.db2.gz XAAANLTUSCLLKO-RITPCOANSA-N 0 0 187.268 1.373 10 0 ADAERN Cc1cc(O)cc(O[C@@H]2CCOC2)c1 232396405 1169405879 /nfs/dbraw/zinc/40/58/79/1169405879.db2.gz DAQIGDCMQBSFJG-SNVBAGLBSA-N 0 0 194.230 1.868 10 0 ADAERN CO[C@H](C)[C@H](C)Nc1nncs1 232288369 1169405892 /nfs/dbraw/zinc/40/58/92/1169405892.db2.gz XAAANLTUSCLLKO-NTSWFWBYSA-N 0 0 187.268 1.373 10 0 ADAERN Cc1ccc(CNc2cncnc2)o1 232086744 1169405911 /nfs/dbraw/zinc/40/59/11/1169405911.db2.gz JSZKJYKJGVQWPO-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1c(N)cccc1-c1ccn(C)n1 232216912 1169406181 /nfs/dbraw/zinc/40/61/81/1169406181.db2.gz FHCRGAVGBCGQMK-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ccc(-c2ccc(O)c(F)c2)n1 231989363 1169406238 /nfs/dbraw/zinc/40/62/38/1169406238.db2.gz IOKCWQIRAQHNPH-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN Cc1ccc(NCc2ncon2)nc1 231827893 1169406304 /nfs/dbraw/zinc/40/63/04/1169406304.db2.gz NZLBQZKQHJKJNX-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cn1ccc(-c2ccc(O)cc2F)n1 231989493 1169406329 /nfs/dbraw/zinc/40/63/29/1169406329.db2.gz KRQWVQYWGWJUSH-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CO[C@@H](C)[C@H](C)Nc1nncs1 232288367 1169406487 /nfs/dbraw/zinc/40/64/87/1169406487.db2.gz XAAANLTUSCLLKO-WDSKDSINSA-N 0 0 187.268 1.373 10 0 ADAERN C[C@H]1CC[C@@H](COc2cnn(C)c2)O1 232053306 1169406493 /nfs/dbraw/zinc/40/64/93/1169406493.db2.gz DIKFUZSETOGYHZ-IUCAKERBSA-N 0 0 196.250 1.366 10 0 ADAERN CSCCCNc1cncnc1 232085191 1169406695 /nfs/dbraw/zinc/40/66/95/1169406695.db2.gz ZYCUTYXJRNDNNG-UHFFFAOYSA-N 0 0 183.280 1.642 10 0 ADAERN Cn1cccc1CNc1cncnc1 232086321 1169406810 /nfs/dbraw/zinc/40/68/10/1169406810.db2.gz LLPAGMGZDZIEDO-UHFFFAOYSA-N 0 0 188.234 1.427 10 0 ADAERN N#CNc1ccncc1F 232110912 1169406828 /nfs/dbraw/zinc/40/68/28/1169406828.db2.gz WVSSVHWLPUSUFG-UHFFFAOYSA-N 0 0 137.117 1.114 10 0 ADAERN Cc1cc(-c2ccn(C)n2)cnc1N 231978111 1169406865 /nfs/dbraw/zinc/40/68/65/1169406865.db2.gz BUXBOCWFGZPBQA-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)NC(=S)NCc1ccno1 231884334 1169406875 /nfs/dbraw/zinc/40/68/75/1169406875.db2.gz XDJCOWWAKLDVOB-UHFFFAOYSA-N 0 0 199.279 1.047 10 0 ADAERN COC[C@H](C)OCCSC 231932606 1169406883 /nfs/dbraw/zinc/40/68/83/1169406883.db2.gz OZIOZONWKUBUEG-ZETCQYMHSA-N 0 0 164.270 1.401 10 0 ADAERN Cc1cc(N)ncc1-c1ccn(C)n1 231978057 1169406888 /nfs/dbraw/zinc/40/68/88/1169406888.db2.gz LYQUXOADZXDJEU-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cc(N)ccc1-c1ccn(C)n1 231978040 1169406912 /nfs/dbraw/zinc/40/69/12/1169406912.db2.gz WLPQXDMFPCCARR-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ccc(-c2cc(N)ccn2)n1 231978013 1169406952 /nfs/dbraw/zinc/40/69/52/1169406952.db2.gz MQMMZBYYPVOFOU-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCCNC(=S)NCc1ccno1 231884429 1169406973 /nfs/dbraw/zinc/40/69/73/1169406973.db2.gz LSQVEJPETVIWLO-UHFFFAOYSA-N 0 0 199.279 1.049 10 0 ADAERN Fc1cccnc1NCc1ncon1 231827783 1169407021 /nfs/dbraw/zinc/40/70/21/1169407021.db2.gz PHBDDQDURFGKSY-UHFFFAOYSA-N 0 0 194.169 1.216 10 0 ADAERN Cc1ccc(-c2ccn(C)n2)c(N)c1 231978066 1169407178 /nfs/dbraw/zinc/40/71/78/1169407178.db2.gz CGYIOEKTWXPJLQ-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ccc(-c2cc(F)ccn2)n1 231982572 1169407292 /nfs/dbraw/zinc/40/72/92/1169407292.db2.gz ISKHSPJCOWLYLD-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN CSCCOCCOC(C)C 231932394 1169407341 /nfs/dbraw/zinc/40/73/41/1169407341.db2.gz ZGOFKBOYHWWQJG-UHFFFAOYSA-N 0 0 178.297 1.791 10 0 ADAERN Cc1cccnc1NCc1ncon1 231827477 1169407374 /nfs/dbraw/zinc/40/73/74/1169407374.db2.gz PZHFDSOXAGIDOB-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN CCCNc1ccc(OC)cn1 233194821 1169408346 /nfs/dbraw/zinc/40/83/46/1169408346.db2.gz YMQSWEOFZGBXAB-UHFFFAOYSA-N 0 0 166.224 1.912 10 0 ADAERN CCCNc1ncc(F)cc1C(N)=O 233200908 1169408867 /nfs/dbraw/zinc/40/88/67/1169408867.db2.gz ONMZXAPHMQGJJL-UHFFFAOYSA-N 0 0 197.213 1.142 10 0 ADAERN CCC1(CNc2nc(C)no2)CC1 232989829 1169409296 /nfs/dbraw/zinc/40/92/96/1169409296.db2.gz QUDXNQQNKFAJCS-UHFFFAOYSA-N 0 0 181.239 1.980 10 0 ADAERN CCCCCNc1nc(C)no1 232977560 1169409317 /nfs/dbraw/zinc/40/93/17/1169409317.db2.gz VWUGXCDSERJWNZ-UHFFFAOYSA-N 0 0 169.228 1.980 10 0 ADAERN CCCNc1ncnc2c1COCC2 233220154 1169409595 /nfs/dbraw/zinc/40/95/95/1169409595.db2.gz XVEXXSZEFYWJPQ-UHFFFAOYSA-N 0 0 193.250 1.371 10 0 ADAERN CCCOCCNc1ccn(C)n1 233229417 1169409610 /nfs/dbraw/zinc/40/96/10/1169409610.db2.gz PZBTZDFNEJYHDC-UHFFFAOYSA-N 0 0 183.255 1.259 10 0 ADAERN CCC[C@@H](C)NCc1noc(C)n1 233277787 1169409621 /nfs/dbraw/zinc/40/96/21/1169409621.db2.gz XJEMPJFZNRQQDK-SSDOTTSWSA-N 0 0 183.255 1.656 10 0 ADAERN C=CC(=O)NCC1(CC)CCC1 232896994 1169409960 /nfs/dbraw/zinc/40/99/60/1169409960.db2.gz AVAHRCZOEWRRTB-UHFFFAOYSA-N 0 0 167.252 1.869 10 0 ADAERN CC1(CN2CCC(=O)C2)CCOCC1 232820936 1169410225 /nfs/dbraw/zinc/41/02/25/1169410225.db2.gz AVDMFBCYZCEURC-UHFFFAOYSA-N 0 0 197.278 1.078 10 0 ADAERN CCCCOCCNc1nc(C)no1 232983674 1169410247 /nfs/dbraw/zinc/41/02/47/1169410247.db2.gz LTLMEFPHAYQNKO-UHFFFAOYSA-N 0 0 199.254 1.607 10 0 ADAERN CCC[C@@H](C)Oc1cc(=O)[nH]cn1 233279812 1169410322 /nfs/dbraw/zinc/41/03/22/1169410322.db2.gz JMENFADMLWYYJY-SSDOTTSWSA-N 0 0 182.223 1.337 10 0 ADAERN CCCNc1cnc(C(=O)OC)cn1 233196037 1169410463 /nfs/dbraw/zinc/41/04/63/1169410463.db2.gz HQMFIOXJRIDNLM-UHFFFAOYSA-N 0 0 195.222 1.085 10 0 ADAERN CCC[C@@H](C)N1CCCC(=O)C1 233276315 1169410522 /nfs/dbraw/zinc/41/05/22/1169410522.db2.gz CNKWRBBWZDUOHO-SECBINFHSA-N 0 0 169.268 1.840 10 0 ADAERN C=CC(=O)NCC1(CCC)CC1 232919744 1169410923 /nfs/dbraw/zinc/41/09/23/1169410923.db2.gz DTXGYMBQKOQOSW-UHFFFAOYSA-N 0 0 167.252 1.869 10 0 ADAERN C1CC1COC1CC1 238090362 1169417884 /nfs/dbraw/zinc/41/78/84/1169417884.db2.gz YZYNBEOKESITGG-UHFFFAOYSA-N 0 0 112.172 1.575 10 0 ADAERN CCC[C@H](C)Oc1cc(=O)[nH]cn1 233340055 1169413606 /nfs/dbraw/zinc/41/36/06/1169413606.db2.gz JMENFADMLWYYJY-ZETCQYMHSA-N 0 0 182.223 1.337 10 0 ADAERN Cc1noc(N[C@H](C)[C@H]2CCOC2)n1 235211447 1169416452 /nfs/dbraw/zinc/41/64/52/1169416452.db2.gz SYZBOWMUIGSBKY-SVRRBLITSA-N 0 0 197.238 1.215 10 0 ADAERN CCOC[C@H](C)Nc1nc(C)no1 233740887 1169411455 /nfs/dbraw/zinc/41/14/55/1169411455.db2.gz KXVOJZNFWFBUMH-LURJTMIESA-N 0 0 185.227 1.215 10 0 ADAERN CCOC[C@H](C)Oc1ncccc1N 233801363 1169411506 /nfs/dbraw/zinc/41/15/06/1169411506.db2.gz ZKGAELQVIUPSKK-QMMMGPOBSA-N 0 0 196.250 1.468 10 0 ADAERN CCC[C@H](C)NCc1noc(C)n1 233337838 1169411656 /nfs/dbraw/zinc/41/16/56/1169411656.db2.gz XJEMPJFZNRQQDK-ZETCQYMHSA-N 0 0 183.255 1.656 10 0 ADAERN CCC[C@H](C)n1cnc(CN)n1 233343683 1169411937 /nfs/dbraw/zinc/41/19/37/1169411937.db2.gz UZZITGXVLCPUPO-ZETCQYMHSA-N 0 0 168.244 1.098 10 0 ADAERN CCc1nc(O[C@H](C)CC)cc(=O)[nH]1 233853901 1169412009 /nfs/dbraw/zinc/41/20/09/1169412009.db2.gz UASHLJWMCANBGM-SSDOTTSWSA-N 0 0 196.250 1.510 10 0 ADAERN CCC[C@@H](C)Oc1cnn(C)c1 233282672 1169412100 /nfs/dbraw/zinc/41/21/00/1169412100.db2.gz PAIQINQSHBBIDY-MRVPVSSYSA-N 0 0 168.240 1.988 10 0 ADAERN CCOC[C@H](C)O[C@H](C)C(C)=O 233786807 1169412278 /nfs/dbraw/zinc/41/22/78/1169412278.db2.gz SDNHHRQLDZFPRQ-IONNQARKSA-N 0 0 174.240 1.406 10 0 ADAERN CCOC[C@H](C)O[C@@H](C)C(C)=O 233780711 1169412310 /nfs/dbraw/zinc/41/23/10/1169412310.db2.gz SDNHHRQLDZFPRQ-CBAPKCEASA-N 0 0 174.240 1.406 10 0 ADAERN CCC[C@H](C)N1CCCC(=O)C1 233334694 1169412365 /nfs/dbraw/zinc/41/23/65/1169412365.db2.gz CNKWRBBWZDUOHO-VIFPVBQESA-N 0 0 169.268 1.840 10 0 ADAERN CCOC[C@@H](C)O[C@@H](C)C(C)=O 233750688 1169412415 /nfs/dbraw/zinc/41/24/15/1169412415.db2.gz SDNHHRQLDZFPRQ-APPZFPTMSA-N 0 0 174.240 1.406 10 0 ADAERN CCOC(C)(C)CNc1nc(C)no1 233703457 1169412513 /nfs/dbraw/zinc/41/25/13/1169412513.db2.gz TUGFFQMYSMWLRO-UHFFFAOYSA-N 0 0 199.254 1.605 10 0 ADAERN CCOC[C@@H](C)OCC(OC)OC 233723005 1169412560 /nfs/dbraw/zinc/41/25/60/1169412560.db2.gz XAGJJAVNHFKJRU-MRVPVSSYSA-N 0 0 192.255 1.047 10 0 ADAERN CC[C@@H](COC)Nc1nc(C)no1 233887336 1169412711 /nfs/dbraw/zinc/41/27/11/1169412711.db2.gz RCBXICUBGXROTA-ZETCQYMHSA-N 0 0 185.227 1.215 10 0 ADAERN CCC[C@H](C)Oc1cnn(C)c1 233343340 1169412784 /nfs/dbraw/zinc/41/27/84/1169412784.db2.gz PAIQINQSHBBIDY-QMMMGPOBSA-N 0 0 168.240 1.988 10 0 ADAERN CCOC[C@@H](C)Oc1cccc(N)n1 233775871 1169412974 /nfs/dbraw/zinc/41/29/74/1169412974.db2.gz QRLSQDVMPCNXNF-MRVPVSSYSA-N 0 0 196.250 1.468 10 0 ADAERN CCOC[C@@H](C)Oc1ncccc1N 233782039 1169413355 /nfs/dbraw/zinc/41/33/55/1169413355.db2.gz ZKGAELQVIUPSKK-MRVPVSSYSA-N 0 0 196.250 1.468 10 0 ADAERN CCC[C@@H]1C[C@H]1Nc1nc(C)no1 233311544 1169413080 /nfs/dbraw/zinc/41/30/80/1169413080.db2.gz UFVYVFRUAHYQQT-HTQZYQBOSA-N 0 0 181.239 1.979 10 0 ADAERN CCOCCCNc1nc(C)no1 233745932 1169413108 /nfs/dbraw/zinc/41/31/08/1169413108.db2.gz ZHNXQTCZFIHFJP-UHFFFAOYSA-N 0 0 185.227 1.217 10 0 ADAERN CCOCCc1nccs1 233735279 1169413292 /nfs/dbraw/zinc/41/32/92/1169413292.db2.gz UWPCXDMKKTUHCK-UHFFFAOYSA-N 0 0 157.238 1.722 10 0 ADAERN CC[C@@H](C)NC1(C(=O)OC)CC1 233860640 1169413334 /nfs/dbraw/zinc/41/33/34/1169413334.db2.gz CLUCSMBTMDKVCH-SSDOTTSWSA-N 0 0 171.240 1.080 10 0 ADAERN CCOC[C@@H](C)OCC(=O)CC 233762206 1169413365 /nfs/dbraw/zinc/41/33/65/1169413365.db2.gz MLQXJGFKTMZIII-MRVPVSSYSA-N 0 0 174.240 1.407 10 0 ADAERN CCOC(=O)C1(N[C@@H](C)CC)CC1 233678592 1169413587 /nfs/dbraw/zinc/41/35/87/1169413587.db2.gz IQTMCAMDSWVSML-QMMMGPOBSA-N 0 0 185.267 1.470 10 0 ADAERN CCOC[C@@H](C)O[C@H](C)C(C)=O 233760948 1169413623 /nfs/dbraw/zinc/41/36/23/1169413623.db2.gz SDNHHRQLDZFPRQ-VXNVDRBHSA-N 0 0 174.240 1.406 10 0 ADAERN CC[C@@H](C)NCc1noc(C)n1 233863120 1169413655 /nfs/dbraw/zinc/41/36/55/1169413655.db2.gz ZNLUDGUPWVINKM-ZCFIWIBFSA-N 0 0 169.228 1.266 10 0 ADAERN CCOC[C@H](C)Oc1cccc(N)n1 233797975 1169413680 /nfs/dbraw/zinc/41/36/80/1169413680.db2.gz QRLSQDVMPCNXNF-QMMMGPOBSA-N 0 0 196.250 1.468 10 0 ADAERN CCOC(=O)C1(N[C@H](C)CC)CC1 233678726 1169413735 /nfs/dbraw/zinc/41/37/35/1169413735.db2.gz IQTMCAMDSWVSML-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN CCOC[C@H](C)OCC(=O)CC 233757658 1169413775 /nfs/dbraw/zinc/41/37/75/1169413775.db2.gz MLQXJGFKTMZIII-QMMMGPOBSA-N 0 0 174.240 1.407 10 0 ADAERN CCOC[C@H](C)OCC(OC)OC 233760027 1169413807 /nfs/dbraw/zinc/41/38/07/1169413807.db2.gz XAGJJAVNHFKJRU-QMMMGPOBSA-N 0 0 192.255 1.047 10 0 ADAERN CCC[C@@H](C)n1cnc(CN)n1 233286684 1169413884 /nfs/dbraw/zinc/41/38/84/1169413884.db2.gz UZZITGXVLCPUPO-SSDOTTSWSA-N 0 0 168.244 1.098 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ccncn2)CCO1 235356654 1169415140 /nfs/dbraw/zinc/41/51/40/1169415140.db2.gz NYWHYLQORPQQHT-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](CC(F)(F)F)N1CCC(=O)C1 235090026 1169415163 /nfs/dbraw/zinc/41/51/63/1169415163.db2.gz ANORBZPQYCPGJM-LURJTMIESA-N 0 0 195.184 1.602 10 0 ADAERN CC[C@H](C)NCc1noc(C)n1 233991874 1169415328 /nfs/dbraw/zinc/41/53/28/1169415328.db2.gz ZNLUDGUPWVINKM-LURJTMIESA-N 0 0 169.228 1.266 10 0 ADAERN CC[C@H](COC)Nc1nc(C)no1 234032188 1169415485 /nfs/dbraw/zinc/41/54/85/1169415485.db2.gz RCBXICUBGXROTA-SSDOTTSWSA-N 0 0 185.227 1.215 10 0 ADAERN CCn1cc(Nc2[nH]cc[nH+]2)cn1 234240688 1169415768 /nfs/dbraw/zinc/41/57/68/1169415768.db2.gz WVAXMLPYNPGXOE-UHFFFAOYSA-N 0 0 177.211 1.370 10 0 ADAERN Cc1noc(NCC(C)(C)[NH+](C)C)n1 234256045 1169415783 /nfs/dbraw/zinc/41/57/83/1169415783.db2.gz NGQGAEAKDHUSFZ-UHFFFAOYSA-N 0 0 198.270 1.130 10 0 ADAERN C[C@H](CC(F)(F)F)N1CCC(=O)C1 235408156 1169415800 /nfs/dbraw/zinc/41/58/00/1169415800.db2.gz ANORBZPQYCPGJM-ZCFIWIBFSA-N 0 0 195.184 1.602 10 0 ADAERN Cc1noc(N[C@H](C)[C@@H]2CCOC2)n1 235211398 1169415888 /nfs/dbraw/zinc/41/58/88/1169415888.db2.gz SYZBOWMUIGSBKY-HTRCEHHLSA-N 0 0 197.238 1.215 10 0 ADAERN COCC(C)(C)Nc1cc(C)cnn1 234583701 1169416106 /nfs/dbraw/zinc/41/61/06/1169416106.db2.gz BFWRGWPWTHOJPP-UHFFFAOYSA-N 0 0 195.266 1.622 10 0 ADAERN CC[C@H](C)NC1(C(=O)OC)CC1 233992480 1169416601 /nfs/dbraw/zinc/41/66/01/1169416601.db2.gz CLUCSMBTMDKVCH-ZETCQYMHSA-N 0 0 171.240 1.080 10 0 ADAERN CCc1nc(O[C@@H](C)CC)cc(=O)[nH]1 234017729 1169416838 /nfs/dbraw/zinc/41/68/38/1169416838.db2.gz UASHLJWMCANBGM-ZETCQYMHSA-N 0 0 196.250 1.510 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1C(=O)C(C)(C)O 235342866 1169416873 /nfs/dbraw/zinc/41/68/73/1169416873.db2.gz PNLSPZDODCYJFN-RKDXNWHRSA-N 0 0 199.294 1.547 10 0 ADAERN COc1ccc2nc(C)nc(N)c2c1 235016045 1169417146 /nfs/dbraw/zinc/41/71/46/1169417146.db2.gz YJIFETUZZWSLPT-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN Cc1noc(NC[C@@H](C)C2CC2)n1 235487653 1169417241 /nfs/dbraw/zinc/41/72/41/1169417241.db2.gz AALYXIQRMQORGZ-ZCFIWIBFSA-N 0 0 181.239 1.836 10 0 ADAERN c1n[nH]cc1OC1CCC1 238006896 1169417795 /nfs/dbraw/zinc/41/77/95/1169417795.db2.gz UTNFLLYIVGSPOM-UHFFFAOYSA-N 0 0 138.170 1.341 10 0 ADAERN C/C=C/[C@@H](O)C(=O)NC1CCCCC1 238031689 1169417837 /nfs/dbraw/zinc/41/78/37/1169417837.db2.gz XOONNNGOPGLTPU-GCEAOBNSSA-N 0 0 197.278 1.372 10 0 ADAERN c1c[nH]c(OC2CCC2)n1 238007651 1169417841 /nfs/dbraw/zinc/41/78/41/1169417841.db2.gz CLZSLHGVYRZQFO-UHFFFAOYSA-N 0 0 138.170 1.341 10 0 ADAERN Cc1nonc1NC(=O)OCC(C)C 238145928 1169417938 /nfs/dbraw/zinc/41/79/38/1169417938.db2.gz WGXIHVCXLKQBIA-UHFFFAOYSA-N 0 0 199.210 1.583 10 0 ADAERN Cc1ccncc1-c1cccc(=O)[nH]1 235776607 1169418035 /nfs/dbraw/zinc/41/80/35/1169418035.db2.gz WUNLGHDKIJIMGP-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN c1cc2c(cc1OC1CC1)OCO2 238050541 1169418134 /nfs/dbraw/zinc/41/81/34/1169418134.db2.gz VNLWIMRAEKJJLZ-UHFFFAOYSA-N 0 0 178.187 1.957 10 0 ADAERN c1cc2n[nH]nc2cc1OC1CC1 238094617 1169418167 /nfs/dbraw/zinc/41/81/67/1169418167.db2.gz BOMZSZKBYISNOK-UHFFFAOYSA-N 0 0 175.191 1.499 10 0 ADAERN c1cc(OC2CCC2)c2n[nH]nc2c1 238053818 1169418198 /nfs/dbraw/zinc/41/81/98/1169418198.db2.gz UDHGDWVPGNBDAO-UHFFFAOYSA-N 0 0 189.218 1.889 10 0 ADAERN Cc1cncc(-c2cccc(=O)[nH]2)c1 235931653 1169418468 /nfs/dbraw/zinc/41/84/68/1169418468.db2.gz QTFJMCQRBFSMGG-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1noc(N[C@@H]2CCO[C@@H](C)C2)n1 235713162 1169418580 /nfs/dbraw/zinc/41/85/80/1169418580.db2.gz DDSPWTNYOZFPKB-POYBYMJQSA-N 0 0 197.238 1.357 10 0 ADAERN C1CC(OCC2CCOCC2)C1 238006707 1169418695 /nfs/dbraw/zinc/41/86/95/1169418695.db2.gz FEJUHUCNAFYCGR-UHFFFAOYSA-N 0 0 170.252 1.982 10 0 ADAERN c1cc2n[nH]nc2cc1OC1CCC1 238054841 1169418736 /nfs/dbraw/zinc/41/87/36/1169418736.db2.gz QGLXRLYCFIDPLJ-UHFFFAOYSA-N 0 0 189.218 1.889 10 0 ADAERN Cc1noc(NC[C@@H]2CCCCO2)n1 235964827 1169418844 /nfs/dbraw/zinc/41/88/44/1169418844.db2.gz UEWKDKBXYXSIMX-QMMMGPOBSA-N 0 0 197.238 1.359 10 0 ADAERN O=c1cccc(-c2ccncc2F)[nH]1 236158266 1169418904 /nfs/dbraw/zinc/41/89/04/1169418904.db2.gz KMFIBNSZPPCGAU-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN Cc1noc(NCCC2CCC2)n1 235964107 1169418930 /nfs/dbraw/zinc/41/89/30/1169418930.db2.gz VICSSLJBQRMJSO-UHFFFAOYSA-N 0 0 181.239 1.980 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1C(=O)C(C)(C)O 235615375 1169418968 /nfs/dbraw/zinc/41/89/68/1169418968.db2.gz PNLSPZDODCYJFN-DTORHVGOSA-N 0 0 199.294 1.547 10 0 ADAERN Cc1cnc(-c2ccn(C)n2)c(N)c1 235926139 1169418984 /nfs/dbraw/zinc/41/89/84/1169418984.db2.gz UECDLPWMMDSZCN-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)(C)NC(=S)Nc1cnoc1 238102294 1169419097 /nfs/dbraw/zinc/41/90/97/1169419097.db2.gz ODNUOORSWZTVMV-UHFFFAOYSA-N 0 0 199.279 1.760 10 0 ADAERN c1cn2cc(OC3CC3)ccc2n1 238094491 1169419177 /nfs/dbraw/zinc/41/91/77/1169419177.db2.gz AJDVIGXFLKGNSJ-UHFFFAOYSA-N 0 0 174.203 1.876 10 0 ADAERN C1CC(COC2CC2)CCO1 238006294 1169419306 /nfs/dbraw/zinc/41/93/06/1169419306.db2.gz JURHHJLEHQXZKI-UHFFFAOYSA-N 0 0 156.225 1.592 10 0 ADAERN CC(C)Oc1cccc(=O)[nH]1 238158469 1169419321 /nfs/dbraw/zinc/41/93/21/1169419321.db2.gz BPWRFZBHKLFNNM-UHFFFAOYSA-N 0 0 153.181 1.574 10 0 ADAERN Oc1cccc(OC[C@@H]2COCO2)c1 238681083 1169421650 /nfs/dbraw/zinc/42/16/50/1169421650.db2.gz DDZZMUFCAWETBF-JTQLQIEISA-N 0 0 196.202 1.144 10 0 ADAERN C=C=CCNC(=O)c1ccco1 238034273 1169419430 /nfs/dbraw/zinc/41/94/30/1169419430.db2.gz BEIMPUOCWQRSHQ-UHFFFAOYSA-N 0 0 163.176 1.351 10 0 ADAERN CC(C)(C)OC(=O)COC1CC1 238119690 1169419465 /nfs/dbraw/zinc/41/94/65/1169419465.db2.gz HLYVAXDRTQVYMN-UHFFFAOYSA-N 0 0 172.224 1.507 10 0 ADAERN C1CC(OCC2CC2)C1 238006657 1169419571 /nfs/dbraw/zinc/41/95/71/1169419571.db2.gz LQEDGVFYOFCFRJ-UHFFFAOYSA-N 0 0 126.199 1.966 10 0 ADAERN COC(=O)Cc1ccc([C@@H](C)O)cc1 238393978 1169420123 /nfs/dbraw/zinc/42/01/23/1169420123.db2.gz CXJWMOPBXDWJIC-MRVPVSSYSA-N 0 0 194.230 1.455 10 0 ADAERN COC(=O)Cc1ccc([C@H](C)O)cc1 238394042 1169420166 /nfs/dbraw/zinc/42/01/66/1169420166.db2.gz CXJWMOPBXDWJIC-QMMMGPOBSA-N 0 0 194.230 1.455 10 0 ADAERN COc1cccc([C@@H](C)OCCO)c1 238387604 1169420181 /nfs/dbraw/zinc/42/01/81/1169420181.db2.gz ZZKURUMETYMTFW-SECBINFHSA-N 0 0 196.246 1.765 10 0 ADAERN CNC(=O)c1ccc2ccncc2c1 238353820 1169420186 /nfs/dbraw/zinc/42/01/86/1169420186.db2.gz BDXZUAMZRSDJFV-UHFFFAOYSA-N 0 0 186.214 1.594 10 0 ADAERN COc1ccc([C@@H](C)OCCO)cc1 238398377 1169420213 /nfs/dbraw/zinc/42/02/13/1169420213.db2.gz PVEOCLSMXMKVPA-SECBINFHSA-N 0 0 196.246 1.765 10 0 ADAERN COCCCCOC1CCC1 238333794 1169420242 /nfs/dbraw/zinc/42/02/42/1169420242.db2.gz GLWCXGUNLAGDEP-UHFFFAOYSA-N 0 0 158.241 1.982 10 0 ADAERN CNc1cc(Cl)cnc1N 238328418 1169420258 /nfs/dbraw/zinc/42/02/58/1169420258.db2.gz PLSWLJGAUJRKSG-UHFFFAOYSA-N 0 0 157.604 1.359 10 0 ADAERN COc1cccc([C@H](C)OCCO)c1 238392132 1169420285 /nfs/dbraw/zinc/42/02/85/1169420285.db2.gz ZZKURUMETYMTFW-VIFPVBQESA-N 0 0 196.246 1.765 10 0 ADAERN COC(=O)Cc1cccc(F)c1OC 238394989 1169420307 /nfs/dbraw/zinc/42/03/07/1169420307.db2.gz FIVANIZCFVTHGW-UHFFFAOYSA-N 0 0 198.193 1.550 10 0 ADAERN COC(=O)CCc1c(O)cccc1F 238354701 1169420454 /nfs/dbraw/zinc/42/04/54/1169420454.db2.gz SNUYPEPLDBPDOU-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN COCNC(=S)Nc1ccccc1 238338540 1169420600 /nfs/dbraw/zinc/42/06/00/1169420600.db2.gz HDKSHSGTWKAICT-UHFFFAOYSA-N 0 0 196.275 1.577 10 0 ADAERN COc1ccc([C@H](C)OCCO)cc1 238344717 1169420637 /nfs/dbraw/zinc/42/06/37/1169420637.db2.gz PVEOCLSMXMKVPA-VIFPVBQESA-N 0 0 196.246 1.765 10 0 ADAERN Nc1ccc(C2=CCOCC2)nc1 238636877 1169421256 /nfs/dbraw/zinc/42/12/56/1169421256.db2.gz DWGODXZVDJQJRP-UHFFFAOYSA-N 0 0 176.219 1.468 10 0 ADAERN CC(C)[C@@H](N)c1nnc(C2CCC2)o1 238792088 1169421435 /nfs/dbraw/zinc/42/14/35/1169421435.db2.gz CHHUWZUNXNGECG-MRVPVSSYSA-N 0 0 195.266 1.993 10 0 ADAERN Nc1ccccc1-c1cccnc1N 238650673 1169421463 /nfs/dbraw/zinc/42/14/63/1169421463.db2.gz UNXOMIUPBMYHKN-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1cccnc1-c1cccnc1N 238654998 1169421454 /nfs/dbraw/zinc/42/14/54/1169421454.db2.gz PZPUZEPTIQNHFH-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN O=C(Nc1ccncc1)OCCF 238683025 1169421617 /nfs/dbraw/zinc/42/16/17/1169421617.db2.gz DDCLPPNVIJGIFM-UHFFFAOYSA-N 0 0 184.170 1.600 10 0 ADAERN O=C1COc2cc(C3CC3)ccc2N1 238636829 1169421622 /nfs/dbraw/zinc/42/16/22/1169421622.db2.gz PRFGQXFVDGZJTM-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN O=C1CN(C2CCCCC2)C1 238618167 1169421627 /nfs/dbraw/zinc/42/16/27/1169421627.db2.gz CKXBMINZOYJKST-UHFFFAOYSA-N 0 0 153.225 1.204 10 0 ADAERN FCCOC1CCCC1 238683131 1169421602 /nfs/dbraw/zinc/42/16/02/1169421602.db2.gz MIWLPNQZXAGCGG-UHFFFAOYSA-N 0 0 132.178 1.915 10 0 ADAERN Nc1cccnc1-c1cn[nH]c1 238655034 1169421667 /nfs/dbraw/zinc/42/16/67/1169421667.db2.gz HGSJQZCZAUYUEK-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccc2[nH]cnc2c1F 238616288 1169421672 /nfs/dbraw/zinc/42/16/72/1169421672.db2.gz ZBANRSYNCMABPL-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Oc1ccccc1OC[C@@H]1COCO1 238727909 1169421726 /nfs/dbraw/zinc/42/17/26/1169421726.db2.gz GPNWCRNBIWZLDE-QMMMGPOBSA-N 0 0 196.202 1.144 10 0 ADAERN Oc1ccc(OC[C@@H]2COCO2)cc1 238728315 1169421786 /nfs/dbraw/zinc/42/17/86/1169421786.db2.gz IZSPZBQRVLWBPQ-JTQLQIEISA-N 0 0 196.202 1.144 10 0 ADAERN c1cn2cc(-c3cn[nH]c3)ncc2n1 238688938 1169421794 /nfs/dbraw/zinc/42/17/94/1169421794.db2.gz UOHFSVQQUJOZPL-UHFFFAOYSA-N 0 0 185.190 1.119 10 0 ADAERN NC(=O)c1ocnc1-c1ccccc1 238665740 1169421841 /nfs/dbraw/zinc/42/18/41/1169421841.db2.gz PKEMMWIMLKXJSF-UHFFFAOYSA-N 0 0 188.186 1.441 10 0 ADAERN O=C1Cc2ccc(OC3CC3)cc2N1 238652140 1169421859 /nfs/dbraw/zinc/42/18/59/1169421859.db2.gz DKLLMHILWSQKBY-UHFFFAOYSA-N 0 0 189.214 1.722 10 0 ADAERN Nc1ccnc(-c2ncc[nH]2)c1 238649126 1169421868 /nfs/dbraw/zinc/42/18/68/1169421868.db2.gz NSZMRBYJCPYRRY-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1cccc(OC2CC2)n1 238630123 1169421871 /nfs/dbraw/zinc/42/18/71/1169421871.db2.gz HCBOVZWKYKALAG-UHFFFAOYSA-N 0 0 150.181 1.205 10 0 ADAERN O=C1Cc2c(cccc2OC2CC2)N1 238634024 1169421880 /nfs/dbraw/zinc/42/18/80/1169421880.db2.gz WHXGREIRKTWNRF-UHFFFAOYSA-N 0 0 189.214 1.722 10 0 ADAERN Oc1ccc(-c2ccnnc2)cc1 238729987 1169421899 /nfs/dbraw/zinc/42/18/99/1169421899.db2.gz XPGPTCHUJDBXDN-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN Oc1ccccc1OC[C@H]1COCO1 238727919 1169421906 /nfs/dbraw/zinc/42/19/06/1169421906.db2.gz GPNWCRNBIWZLDE-MRVPVSSYSA-N 0 0 196.202 1.144 10 0 ADAERN O=C1Cc2cc(OC3CC3)ccc2N1 238651750 1169421947 /nfs/dbraw/zinc/42/19/47/1169421947.db2.gz NIKIAHNLGRBFIM-UHFFFAOYSA-N 0 0 189.214 1.722 10 0 ADAERN Nc1nccc(-c2ncccc2F)n1 238624467 1169421950 /nfs/dbraw/zinc/42/19/50/1169421950.db2.gz FPEOPLOBHWLMBA-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1cccc(C2=CCOCC2)n1 238627239 1169421993 /nfs/dbraw/zinc/42/19/93/1169421993.db2.gz RSPBJYMFZDMTMB-UHFFFAOYSA-N 0 0 176.219 1.468 10 0 ADAERN OCCCO[C@@H]1C=CCCC1 238673495 1169422069 /nfs/dbraw/zinc/42/20/69/1169422069.db2.gz XJFMFUFQIRJORR-SECBINFHSA-N 0 0 156.225 1.494 10 0 ADAERN O=C(Nc1cccnc1)OCCF 238683002 1169422104 /nfs/dbraw/zinc/42/21/04/1169422104.db2.gz CZCPFWZPDYZZPU-UHFFFAOYSA-N 0 0 184.170 1.600 10 0 ADAERN Nc1cccc(-c2cn[nH]c2)n1 238636779 1169422114 /nfs/dbraw/zinc/42/21/14/1169422114.db2.gz GQWJKUUVFHTQPK-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Oc1cccc(Nc2cnccn2)c1 238680892 1169422119 /nfs/dbraw/zinc/42/21/19/1169422119.db2.gz LMALVCAJQXCQND-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN Nc1ncc(OC2CCCCC2)cn1 238617051 1169422129 /nfs/dbraw/zinc/42/21/29/1169422129.db2.gz ZBSQZROSYZVCNG-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN FCCOC1CC1 238683075 1169422135 /nfs/dbraw/zinc/42/21/35/1169422135.db2.gz KUSXSUIFSXDSIW-UHFFFAOYSA-N 0 0 104.124 1.135 10 0 ADAERN OCCO[C@@H]1CCc2ccccc2C1 238645259 1169422150 /nfs/dbraw/zinc/42/21/50/1169422150.db2.gz NBLUXVMLINQHOD-GFCCVEGCSA-N 0 0 192.258 1.553 10 0 ADAERN O=c1[nH]cccc1-c1cncnc1 238711567 1169422325 /nfs/dbraw/zinc/42/23/25/1169422325.db2.gz DPWUYOBKJXUXHZ-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Oc1cccc(OC[C@H]2COCO2)c1 238681126 1169422342 /nfs/dbraw/zinc/42/23/42/1169422342.db2.gz DDZZMUFCAWETBF-SNVBAGLBSA-N 0 0 196.202 1.144 10 0 ADAERN Nc1cc(-c2ccccc2N)ccn1 238620432 1169422386 /nfs/dbraw/zinc/42/23/86/1169422386.db2.gz SEYQKPIHKYLEGV-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Fc1ccc2cnncc2c1 238623855 1169422396 /nfs/dbraw/zinc/42/23/96/1169422396.db2.gz XQFXPSUINBSCSB-UHFFFAOYSA-N 0 0 148.140 1.769 10 0 ADAERN NC(=O)c1ccc(C(F)F)nc1 238619686 1169422441 /nfs/dbraw/zinc/42/24/41/1169422441.db2.gz HSOOYORGDNDMEZ-UHFFFAOYSA-N 0 0 172.134 1.118 10 0 ADAERN OCCCO[C@H]1C=CCCC1 238673289 1169422479 /nfs/dbraw/zinc/42/24/79/1169422479.db2.gz XJFMFUFQIRJORR-VIFPVBQESA-N 0 0 156.225 1.494 10 0 ADAERN OCCO[C@H]1CCc2ccccc2C1 238646654 1169422490 /nfs/dbraw/zinc/42/24/90/1169422490.db2.gz NBLUXVMLINQHOD-LBPRGKRZSA-N 0 0 192.258 1.553 10 0 ADAERN Oc1cccc(-c2cccnn2)c1 238685435 1169422546 /nfs/dbraw/zinc/42/25/46/1169422546.db2.gz LVYIKLSNIMWPDU-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN OCc1ccc(-c2ccncc2)cn1 238690137 1169422552 /nfs/dbraw/zinc/42/25/52/1169422552.db2.gz BNGOGXPIPSCWHE-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN Nc1ccccc1-c1cc[nH]c(=O)c1 238650036 1169422680 /nfs/dbraw/zinc/42/26/80/1169422680.db2.gz QSXAFIRIABTYPA-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1nncc2cc(F)ccc12 238707704 1169422703 /nfs/dbraw/zinc/42/27/03/1169422703.db2.gz CYCJRJRNCRYSBG-UHFFFAOYSA-N 0 0 163.155 1.351 10 0 ADAERN O=C1COc2ccc(C3CC3)cc2N1 238636936 1169422729 /nfs/dbraw/zinc/42/27/29/1169422729.db2.gz VZSZXJVAZVKDSG-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN c1nc(-c2cnoc2)c2nc[nH]c2n1 238690409 1169422787 /nfs/dbraw/zinc/42/27/87/1169422787.db2.gz ACYZBUJTQPKNQZ-UHFFFAOYSA-N 0 0 187.162 1.008 10 0 ADAERN Nc1cnccc1-c1cn[nH]c1 238609620 1169422823 /nfs/dbraw/zinc/42/28/23/1169422823.db2.gz SFYHSXZDASKMBV-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ncccc1-c1ccncn1 238702270 1169422858 /nfs/dbraw/zinc/42/28/58/1169422858.db2.gz ZSDHNVKSAJHNQX-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN FCCOC1CCC1 238683102 1169422837 /nfs/dbraw/zinc/42/28/37/1169422837.db2.gz PJXLHOAEOPWBKE-UHFFFAOYSA-N 0 0 118.151 1.525 10 0 ADAERN O=C(Nc1ccccn1)OCCF 238682981 1169423009 /nfs/dbraw/zinc/42/30/09/1169423009.db2.gz OFJUZMSYDUPXBX-UHFFFAOYSA-N 0 0 184.170 1.600 10 0 ADAERN Oc1ccc(OC[C@H]2COCO2)cc1 238728322 1169423056 /nfs/dbraw/zinc/42/30/56/1169423056.db2.gz IZSPZBQRVLWBPQ-SNVBAGLBSA-N 0 0 196.202 1.144 10 0 ADAERN O=C(CCCCCO)N1CCCC1 238654375 1169423095 /nfs/dbraw/zinc/42/30/95/1169423095.db2.gz JFLLAXCHSWLOFI-UHFFFAOYSA-N 0 0 185.267 1.162 10 0 ADAERN O[C@@H]1CN(Cc2ccccc2)C[C@@H]1F 250651585 1169426292 /nfs/dbraw/zinc/42/62/92/1169426292.db2.gz QKRSMFPWIPKTNZ-WDEREUQCSA-N 0 0 195.237 1.201 10 0 ADAERN CC[C@H](N)c1nnc([C@@H]2C[C@H]2C)o1 251322508 1169429253 /nfs/dbraw/zinc/42/92/53/1169429253.db2.gz WYZSCEBMHCQZRA-QYNIQEEDSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@@H]1CC[C@H](OCCC(N)=O)C[C@H]1C 251534448 1169429334 /nfs/dbraw/zinc/42/93/34/1169429334.db2.gz AKVRLMUIFGDDRD-BBBLOLIVSA-N 0 0 199.294 1.703 10 0 ADAERN CC[C@H](N)c1nnc([C@H]2C[C@H]2C)o1 251322511 1169429497 /nfs/dbraw/zinc/42/94/97/1169429497.db2.gz WYZSCEBMHCQZRA-VQVTYTSYSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@@H]1CC[C@@H](OCCC(N)=O)C[C@H]1C 251534459 1169429707 /nfs/dbraw/zinc/42/97/07/1169429707.db2.gz AKVRLMUIFGDDRD-OPRDCNLKSA-N 0 0 199.294 1.703 10 0 ADAERN COC(=O)CN[C@@H]1CC[C@@H](C)[C@H](C)C1 251589202 1169430480 /nfs/dbraw/zinc/43/04/80/1169430480.db2.gz CGGOVSBQKLBZRK-OPRDCNLKSA-N 0 0 199.294 1.574 10 0 ADAERN COC(=O)CN[C@@H]1CC[C@H](C)[C@H](C)C1 251589192 1169430613 /nfs/dbraw/zinc/43/06/13/1169430613.db2.gz CGGOVSBQKLBZRK-IVZWLZJFSA-N 0 0 199.294 1.574 10 0 ADAERN COC(=O)CN[C@@H]1C[C@@H](C)C[C@@H](C)C1 252167955 1169432253 /nfs/dbraw/zinc/43/22/53/1169432253.db2.gz QSVXRGGHYGLIFJ-MYJAWHEDSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H](OCCC(N)=O)C1 252201561 1169433119 /nfs/dbraw/zinc/43/31/19/1169433119.db2.gz WJSMOMSXGBAQTH-MYJAWHEDSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@H](OCCO)c1cccc(F)c1 253179889 1169435551 /nfs/dbraw/zinc/43/55/51/1169435551.db2.gz CEDHIUCJMHXDQA-QMMMGPOBSA-N 0 0 184.210 1.896 10 0 ADAERN OCCCOC1CCSCC1 253186488 1169435724 /nfs/dbraw/zinc/43/57/24/1169435724.db2.gz RVVKCMHJEKLKHG-UHFFFAOYSA-N 0 0 176.281 1.281 10 0 ADAERN CC[C@H](CO)NC(=O)/C=C/C(C)C 253467606 1169436107 /nfs/dbraw/zinc/43/61/07/1169436107.db2.gz ZXUBMFGCPVKYJO-VUHVRTRXSA-N 0 0 185.267 1.086 10 0 ADAERN CC[C@@H](C)OC(=O)Nc1cccnn1 253460790 1169436183 /nfs/dbraw/zinc/43/61/83/1169436183.db2.gz IDHJTQNWEIGPQC-SSDOTTSWSA-N 0 0 195.222 1.824 10 0 ADAERN CC[C@@H](CO)NC(=O)/C=C/C(C)C 253467603 1169436424 /nfs/dbraw/zinc/43/64/24/1169436424.db2.gz ZXUBMFGCPVKYJO-CYNONHLPSA-N 0 0 185.267 1.086 10 0 ADAERN C[C@H](OCCCO)C1CC1 253186475 1169436678 /nfs/dbraw/zinc/43/66/78/1169436678.db2.gz RSNBPSZJDDOUAP-ZETCQYMHSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@@H](OCCO)c1cccc(F)c1 253179888 1169436702 /nfs/dbraw/zinc/43/67/02/1169436702.db2.gz CEDHIUCJMHXDQA-MRVPVSSYSA-N 0 0 184.210 1.896 10 0 ADAERN CC(C)/C=C/C(=O)NCCCCCO 253457121 1169436713 /nfs/dbraw/zinc/43/67/13/1169436713.db2.gz BUCULAGQWCAGEJ-VOTSOKGWSA-N 0 0 199.294 1.477 10 0 ADAERN C[C@@H](OCCCO)C1CC1 253186473 1169436857 /nfs/dbraw/zinc/43/68/57/1169436857.db2.gz RSNBPSZJDDOUAP-SSDOTTSWSA-N 0 0 144.214 1.184 10 0 ADAERN COC(=O)CCCc1cn(C)nc1C 259766207 1169442503 /nfs/dbraw/zinc/44/25/03/1169442503.db2.gz LKGVUGUEZYKUOY-UHFFFAOYSA-N 0 0 196.250 1.224 10 0 ADAERN CC[C@H](C)OC(=O)Nc1cccnn1 253460791 1169437676 /nfs/dbraw/zinc/43/76/76/1169437676.db2.gz IDHJTQNWEIGPQC-ZETCQYMHSA-N 0 0 195.222 1.824 10 0 ADAERN Cn1nccc1Cc1ccccc1O 259680659 1169438756 /nfs/dbraw/zinc/43/87/56/1169438756.db2.gz JDHBKVCNJKMKLN-UHFFFAOYSA-N 0 0 188.230 1.717 10 0 ADAERN Nc1ccccc1Nc1cncnc1 259651462 1169439403 /nfs/dbraw/zinc/43/94/03/1169439403.db2.gz HDBLBBNHDTUMLD-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN COc1ncc(C2CC2)cc1N 258655099 1169440292 /nfs/dbraw/zinc/44/02/92/1169440292.db2.gz ZSFXJNIYHLQDRK-UHFFFAOYSA-N 0 0 164.208 1.550 10 0 ADAERN COC(=O)Cc1ccc(C)nc1C 259590861 1169440347 /nfs/dbraw/zinc/44/03/47/1169440347.db2.gz BXSSCULXWVYMTK-UHFFFAOYSA-N 0 0 179.219 1.414 10 0 ADAERN COC(=O)N1CCC(=O)C(C)(C)C1 259282693 1169440391 /nfs/dbraw/zinc/44/03/91/1169440391.db2.gz VGWRJTBIGNLMCM-UHFFFAOYSA-N 0 0 185.223 1.054 10 0 ADAERN CN(CC(F)(F)F)C1CCOCC1 259222402 1169440499 /nfs/dbraw/zinc/44/04/99/1169440499.db2.gz XWZWSUJSLWVPRU-UHFFFAOYSA-N 0 0 197.200 1.660 10 0 ADAERN COC(=O)Cc1cnccc1Cl 259472305 1169440951 /nfs/dbraw/zinc/44/09/51/1169440951.db2.gz BQCLIFUHVHFEJO-UHFFFAOYSA-N 0 0 185.610 1.451 10 0 ADAERN CC(=O)CN(C)Cc1ccc[nH]1 258893218 1169441005 /nfs/dbraw/zinc/44/10/05/1169441005.db2.gz JTCVHWQXJBXZKR-UHFFFAOYSA-N 0 0 166.224 1.036 10 0 ADAERN Cn1nccc1Cc1ccccc1N 259659924 1169441100 /nfs/dbraw/zinc/44/11/00/1169441100.db2.gz HSMJUAVMZOYWPP-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN Cn1cc(OC2CCSCC2)cn1 258571436 1169441120 /nfs/dbraw/zinc/44/11/20/1169441120.db2.gz PJOCCUNNKHGRQV-UHFFFAOYSA-N 0 0 198.291 1.695 10 0 ADAERN COC(=O)Cc1ccn2ccnc2c1 259797511 1169441679 /nfs/dbraw/zinc/44/16/79/1169441679.db2.gz JJAUTTDCJXTDTH-UHFFFAOYSA-N 0 0 190.202 1.050 10 0 ADAERN COC(=O)CCCc1cncs1 259781672 1169441710 /nfs/dbraw/zinc/44/17/10/1169441710.db2.gz HSYIFJZBMWYKEC-UHFFFAOYSA-N 0 0 185.248 1.639 10 0 ADAERN CCOC(=O)[C@@H](C)c1ccncn1 259837526 1169441778 /nfs/dbraw/zinc/44/17/78/1169441778.db2.gz PGGYXMFRGLMNLU-ZETCQYMHSA-N 0 0 180.207 1.143 10 0 ADAERN CC(C)OCC(=O)c1ccccc1O 259832005 1169441826 /nfs/dbraw/zinc/44/18/26/1169441826.db2.gz VAELWKOJTOCIGX-UHFFFAOYSA-N 0 0 194.230 2.000 10 0 ADAERN CCOC(=O)[C@@H](C)c1cnoc1 259821988 1169441939 /nfs/dbraw/zinc/44/19/39/1169441939.db2.gz MWDFBZKWRFTOIB-LURJTMIESA-N 0 0 169.180 1.341 10 0 ADAERN COC(=O)Cc1cnccc1C 259822153 1169441961 /nfs/dbraw/zinc/44/19/61/1169441961.db2.gz NAZIOKCQQQMICS-UHFFFAOYSA-N 0 0 165.192 1.106 10 0 ADAERN COC(=O)CCc1cnccc1C 259810454 1169441968 /nfs/dbraw/zinc/44/19/68/1169441968.db2.gz LEUHXGFYNMVSAO-UHFFFAOYSA-N 0 0 179.219 1.496 10 0 ADAERN CCOC(=O)[C@H](C)c1ccncn1 259837524 1169441990 /nfs/dbraw/zinc/44/19/90/1169441990.db2.gz PGGYXMFRGLMNLU-SSDOTTSWSA-N 0 0 180.207 1.143 10 0 ADAERN Oc1ccccc1Nc1ccncn1 259702475 1169442039 /nfs/dbraw/zinc/44/20/39/1169442039.db2.gz KJLSBEQRMUOITL-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN CCOC(=O)[C@H](C)c1cnoc1C 259850059 1169442085 /nfs/dbraw/zinc/44/20/85/1169442085.db2.gz QWMSSAZLXRBOEL-ZCFIWIBFSA-N 0 0 183.207 1.650 10 0 ADAERN CCOC(=O)[C@@H](C)c1cncn1C 259800878 1169442107 /nfs/dbraw/zinc/44/21/07/1169442107.db2.gz JYCKHPXSIJATDU-ZETCQYMHSA-N 0 0 182.223 1.087 10 0 ADAERN O=C1OCC[C@H]1Oc1cccc(O)c1 259727604 1169442163 /nfs/dbraw/zinc/44/21/63/1169442163.db2.gz XSBUBZCENLXXSA-SECBINFHSA-N 0 0 194.186 1.087 10 0 ADAERN CCOC(=O)[C@@H](C)c1cnoc1C 259850055 1169442296 /nfs/dbraw/zinc/44/22/96/1169442296.db2.gz QWMSSAZLXRBOEL-LURJTMIESA-N 0 0 183.207 1.650 10 0 ADAERN COC(=O)Cc1cccc2c1OCO2 259846843 1169442372 /nfs/dbraw/zinc/44/23/72/1169442372.db2.gz QLQIPJISIWWLKW-UHFFFAOYSA-N 0 0 194.186 1.131 10 0 ADAERN CCOC(=O)[C@H](C)c1ccn(C)n1 259862883 1169442479 /nfs/dbraw/zinc/44/24/79/1169442479.db2.gz SMWZCFBROQLVBC-SSDOTTSWSA-N 0 0 182.223 1.087 10 0 ADAERN COC(=O)CCCc1cnoc1C 259856850 1169442531 /nfs/dbraw/zinc/44/25/31/1169442531.db2.gz RSXUGULHMTUDFN-UHFFFAOYSA-N 0 0 183.207 1.479 10 0 ADAERN CCOC(=O)CCc1cnoc1C 259797553 1169442555 /nfs/dbraw/zinc/44/25/55/1169442555.db2.gz JJPRTRWACICCFN-UHFFFAOYSA-N 0 0 183.207 1.479 10 0 ADAERN Oc1ccc(Nc2ccncn2)cc1 259740793 1169442588 /nfs/dbraw/zinc/44/25/88/1169442588.db2.gz NGYREPQQVYTBTI-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN COC(=O)CCc1conc1C 259813541 1169442682 /nfs/dbraw/zinc/44/26/82/1169442682.db2.gz LTGLIIXEGQQCPO-UHFFFAOYSA-N 0 0 169.180 1.089 10 0 ADAERN CCOC(=O)[C@H](C)c1cnc(C)nc1 259810366 1169442755 /nfs/dbraw/zinc/44/27/55/1169442755.db2.gz LDEDBLDVJLFSCX-SSDOTTSWSA-N 0 0 194.234 1.452 10 0 ADAERN CC(C)OCC(=O)c1cccc(O)c1 259793748 1169442864 /nfs/dbraw/zinc/44/28/64/1169442864.db2.gz RJYBMGRZSMUADF-UHFFFAOYSA-N 0 0 194.230 2.000 10 0 ADAERN CCOC(=O)[C@@H](C)c1cnc(C)nc1 259810369 1169443001 /nfs/dbraw/zinc/44/30/01/1169443001.db2.gz LDEDBLDVJLFSCX-ZETCQYMHSA-N 0 0 194.234 1.452 10 0 ADAERN O=C1OCC[C@@H]1Oc1cccc(O)c1 259727608 1169443023 /nfs/dbraw/zinc/44/30/23/1169443023.db2.gz XSBUBZCENLXXSA-VIFPVBQESA-N 0 0 194.186 1.087 10 0 ADAERN Oc1ccccc1Nc1ncccn1 259868917 1169443121 /nfs/dbraw/zinc/44/31/21/1169443121.db2.gz XOZKNHYRQULLPR-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN COC(=O)CCCc1c[nH]nc1C 259802162 1169443264 /nfs/dbraw/zinc/44/32/64/1169443264.db2.gz JYZIBTOEWIJEGZ-UHFFFAOYSA-N 0 0 182.223 1.214 10 0 ADAERN CCOC(=O)[C@H](C)c1cnoc1 259821991 1169443387 /nfs/dbraw/zinc/44/33/87/1169443387.db2.gz MWDFBZKWRFTOIB-ZCFIWIBFSA-N 0 0 169.180 1.341 10 0 ADAERN CCOC(=O)[C@H](C)c1cncn1C 259800877 1169443609 /nfs/dbraw/zinc/44/36/09/1169443609.db2.gz JYCKHPXSIJATDU-SSDOTTSWSA-N 0 0 182.223 1.087 10 0 ADAERN Cn1nccc1Cc1cccc(O)c1 259821558 1169443714 /nfs/dbraw/zinc/44/37/14/1169443714.db2.gz UBMFSZXBPLOBJB-UHFFFAOYSA-N 0 0 188.230 1.717 10 0 ADAERN COC(=O)c1cc2ncncc2s1 259760303 1169443756 /nfs/dbraw/zinc/44/37/56/1169443756.db2.gz FPCMYLAXDQOFAX-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN CCOC(=O)[C@@H](C)c1ccn(C)n1 259862886 1169443777 /nfs/dbraw/zinc/44/37/77/1169443777.db2.gz SMWZCFBROQLVBC-ZETCQYMHSA-N 0 0 182.223 1.087 10 0 ADAERN CCOC(=O)[C@@H](C)c1c[nH]nc1C 259918536 1169445360 /nfs/dbraw/zinc/44/53/60/1169445360.db2.gz ZOANBACAZKQPJK-LURJTMIESA-N 0 0 182.223 1.385 10 0 ADAERN Cc1cc(C[NH3+])nn1C1CCCC1 259741287 1169444057 /nfs/dbraw/zinc/44/40/57/1169444057.db2.gz NMJKSPZTPYOSHS-UHFFFAOYSA-N 0 0 179.267 1.765 10 0 ADAERN CCOC(=O)[C@H](C)c1c[nH]nc1C 259918539 1169444832 /nfs/dbraw/zinc/44/48/32/1169444832.db2.gz ZOANBACAZKQPJK-ZCFIWIBFSA-N 0 0 182.223 1.385 10 0 ADAERN CCOC(=O)[C@H](C)O[C@H](C)C1CC1 259905524 1169445089 /nfs/dbraw/zinc/44/50/89/1169445089.db2.gz ABQIAYKWDILZIW-SFYZADRCSA-N 0 0 186.251 1.753 10 0 ADAERN CCOC(=O)CC1=CCCOC1 260109789 1169445138 /nfs/dbraw/zinc/44/51/38/1169445138.db2.gz MAXFDPZMEUDXFY-UHFFFAOYSA-N 0 0 170.208 1.286 10 0 ADAERN COC(=O)Cc1cc(CO)ccc1F 260128459 1169445159 /nfs/dbraw/zinc/44/51/59/1169445159.db2.gz MHCBGKHHZPPPJA-UHFFFAOYSA-N 0 0 198.193 1.034 10 0 ADAERN CCOC(=O)[C@H](C)c1cncs1 259916875 1169445205 /nfs/dbraw/zinc/44/52/05/1169445205.db2.gz ZGQLFGJPFLKETE-ZCFIWIBFSA-N 0 0 185.248 1.810 10 0 ADAERN COC(=O)CCc1ccc(C)cc1O 260010664 1169445317 /nfs/dbraw/zinc/44/53/17/1169445317.db2.gz GJFZLRLOUVRHSW-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN CCc1cncc(CCC(=O)OC)c1 260014252 1169445434 /nfs/dbraw/zinc/44/54/34/1169445434.db2.gz JNRPRMCTRMLXEP-UHFFFAOYSA-N 0 0 193.246 1.750 10 0 ADAERN COC(=O)Cc1ccc2nccn2c1 260041674 1169445462 /nfs/dbraw/zinc/44/54/62/1169445462.db2.gz HOYDDCWMMCDGGZ-UHFFFAOYSA-N 0 0 190.202 1.050 10 0 ADAERN CCOC(=O)[C@H](C)O[C@@H](C)C1CC1 259905526 1169445476 /nfs/dbraw/zinc/44/54/76/1169445476.db2.gz ABQIAYKWDILZIW-YUMQZZPRSA-N 0 0 186.251 1.753 10 0 ADAERN COC(=O)CCC1=CCOCC1 259877121 1169445519 /nfs/dbraw/zinc/44/55/19/1169445519.db2.gz AXIIJYVCJDJSKS-UHFFFAOYSA-N 0 0 170.208 1.286 10 0 ADAERN CCOC(=O)Cc1ccc(C)nc1C 259900724 1169445568 /nfs/dbraw/zinc/44/55/68/1169445568.db2.gz XMGJCDZSTUBLKP-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CCOC(=O)Cc1cc(C)nc(C)c1 260051306 1169445632 /nfs/dbraw/zinc/44/56/32/1169445632.db2.gz HYQCMIDWGYFTAU-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CCOC(=O)Cc1cnoc1C 259908261 1169445683 /nfs/dbraw/zinc/44/56/83/1169445683.db2.gz YLJUKKDNOYMJFH-UHFFFAOYSA-N 0 0 169.180 1.089 10 0 ADAERN COC(=O)c1ncc(C(C)C)cn1 259981673 1169445824 /nfs/dbraw/zinc/44/58/24/1169445824.db2.gz AQZRGPNPEUFIQM-UHFFFAOYSA-N 0 0 180.207 1.387 10 0 ADAERN CCOC(=O)[C@@H](C)c1cncs1 259916874 1169445783 /nfs/dbraw/zinc/44/57/83/1169445783.db2.gz ZGQLFGJPFLKETE-LURJTMIESA-N 0 0 185.248 1.810 10 0 ADAERN CCOC(=O)[C@H](C)c1cn[nH]c1 259918480 1169445878 /nfs/dbraw/zinc/44/58/78/1169445878.db2.gz ZMELEJYDQCRFJL-ZCFIWIBFSA-N 0 0 168.196 1.076 10 0 ADAERN CCOC(=O)[C@@H](C)O[C@@H](C)C1CC1 259905519 1169445896 /nfs/dbraw/zinc/44/58/96/1169445896.db2.gz ABQIAYKWDILZIW-JGVFFNPUSA-N 0 0 186.251 1.753 10 0 ADAERN CCOC(=O)[C@@H](C)c1cn[nH]c1 259918478 1169446018 /nfs/dbraw/zinc/44/60/18/1169446018.db2.gz ZMELEJYDQCRFJL-LURJTMIESA-N 0 0 168.196 1.076 10 0 ADAERN CCOC(=O)CCCc1cnoc1C 259908211 1169446283 /nfs/dbraw/zinc/44/62/83/1169446283.db2.gz YKUNJEDJIQZPEP-UHFFFAOYSA-N 0 0 197.234 1.869 10 0 ADAERN COC(=O)Cc1nnc(C2CCC2)o1 260057805 1169446577 /nfs/dbraw/zinc/44/65/77/1169446577.db2.gz MHWYKSZQJZHZBG-UHFFFAOYSA-N 0 0 196.206 1.053 10 0 ADAERN CCOC(=O)CCc1conc1C 259916843 1169446634 /nfs/dbraw/zinc/44/66/34/1169446634.db2.gz ZFYHMGQBRRGAMH-UHFFFAOYSA-N 0 0 183.207 1.479 10 0 ADAERN COC(=O)CCCc1cnc(C)s1 259885419 1169446685 /nfs/dbraw/zinc/44/66/85/1169446685.db2.gz WZTMSARFDGTWIX-UHFFFAOYSA-N 0 0 199.275 1.947 10 0 ADAERN COC(=O)CC1=CCSCC1 259950317 1169446877 /nfs/dbraw/zinc/44/68/77/1169446877.db2.gz COXBLCUYSYASER-UHFFFAOYSA-N 0 0 172.249 1.613 10 0 ADAERN CCOc1ccc(CC(=O)OC)cn1 260134508 1169446818 /nfs/dbraw/zinc/44/68/18/1169446818.db2.gz QOZYFXZWKJIQPX-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN CCOC(=O)[C@@H](C)O[C@H](C)C1CC1 259905515 1169446848 /nfs/dbraw/zinc/44/68/48/1169446848.db2.gz ABQIAYKWDILZIW-HTQZYQBOSA-N 0 0 186.251 1.753 10 0 ADAERN CCOC(=O)CCCc1cncnc1 259888939 1169446858 /nfs/dbraw/zinc/44/68/58/1169446858.db2.gz WCFMZRKMMKODGW-UHFFFAOYSA-N 0 0 194.234 1.362 10 0 ADAERN CCOC(=O)CCCc1cnn(C)c1 259884617 1169446913 /nfs/dbraw/zinc/44/69/13/1169446913.db2.gz VWFQWJSEKTVIAR-UHFFFAOYSA-N 0 0 196.250 1.306 10 0 ADAERN CCOC(=O)Cc1cccnc1OC 260503242 1169447463 /nfs/dbraw/zinc/44/74/63/1169447463.db2.gz QHCUKKSMCRJJNC-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN CCOC(=O)[C@@H](C)c1cnn(C)c1C 260398625 1169447585 /nfs/dbraw/zinc/44/75/85/1169447585.db2.gz KUEXJLCBJXXQAI-ZETCQYMHSA-N 0 0 196.250 1.395 10 0 ADAERN CCOC(=O)[C@H](C)OCCCF 260455819 1169447763 /nfs/dbraw/zinc/44/77/63/1169447763.db2.gz FEVSPVGFVWIVLJ-ZETCQYMHSA-N 0 0 178.203 1.314 10 0 ADAERN COC(=O)Cc1cc(C)c(F)c(O)c1 260286193 1169448273 /nfs/dbraw/zinc/44/82/73/1169448273.db2.gz WHSCZLCORNSXOT-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN Nc1cccnc1O[C@H]1C[C@@H]2C[C@@H]2C1 260267934 1169448312 /nfs/dbraw/zinc/44/83/12/1169448312.db2.gz XHCFHWNCRDVJSF-AYMMMOKOSA-N 0 0 190.246 1.841 10 0 ADAERN CCOC(=O)[C@@H](C)c1ccncc1F 260297083 1169448391 /nfs/dbraw/zinc/44/83/91/1169448391.db2.gz WOYSAFZHEIYUFI-ZETCQYMHSA-N 0 0 197.209 1.887 10 0 ADAERN COC(=O)Cc1ccc(F)c(CO)c1 260313108 1169448480 /nfs/dbraw/zinc/44/84/80/1169448480.db2.gz XXFSGKIZRNRGFB-UHFFFAOYSA-N 0 0 198.193 1.034 10 0 ADAERN COC(=O)CCc1ccc(C)cn1 260492209 1169448497 /nfs/dbraw/zinc/44/84/97/1169448497.db2.gz PRDOYXATUFWYDI-UHFFFAOYSA-N 0 0 179.219 1.496 10 0 ADAERN CCOC(=O)c1ccnnc1OCC 260375560 1169448527 /nfs/dbraw/zinc/44/85/27/1169448527.db2.gz ZXRDFOCBXHLYTR-UHFFFAOYSA-N 0 0 196.206 1.052 10 0 ADAERN CCOC(=O)CCC1=CCOCC1 260334387 1169448571 /nfs/dbraw/zinc/44/85/71/1169448571.db2.gz YHZKRRHNPREVJL-UHFFFAOYSA-N 0 0 184.235 1.676 10 0 ADAERN COC(=O)Cc1cccc2c1OCC2 260457896 1169448794 /nfs/dbraw/zinc/44/87/94/1169448794.db2.gz NWUVERCPAATEEE-UHFFFAOYSA-N 0 0 192.214 1.337 10 0 ADAERN COC(=O)CCCc1cccc(O)c1 260162289 1169448801 /nfs/dbraw/zinc/44/88/01/1169448801.db2.gz OBSYWWBZEMMYNU-UHFFFAOYSA-N 0 0 194.230 1.888 10 0 ADAERN CCOC(=O)[C@H](C)c1ccncc1F 260297081 1169448959 /nfs/dbraw/zinc/44/89/59/1169448959.db2.gz WOYSAFZHEIYUFI-SSDOTTSWSA-N 0 0 197.209 1.887 10 0 ADAERN CCOC(=O)[C@@H](C)c1cc(C)nn1C 260405359 1169449031 /nfs/dbraw/zinc/44/90/31/1169449031.db2.gz LAQGLHSZOBAHNI-QMMMGPOBSA-N 0 0 196.250 1.395 10 0 ADAERN CCOC(=O)CCCc1ccncn1 260516770 1169449135 /nfs/dbraw/zinc/44/91/35/1169449135.db2.gz WJLAWEVEWIMYGP-UHFFFAOYSA-N 0 0 194.234 1.362 10 0 ADAERN CCOC(=O)CCc1cc(C)nn1C 260422402 1169449242 /nfs/dbraw/zinc/44/92/42/1169449242.db2.gz LYPBLAWZDLDFCB-UHFFFAOYSA-N 0 0 196.250 1.224 10 0 ADAERN COC(=O)Cc1cnc(C)cc1C 260334030 1169449443 /nfs/dbraw/zinc/44/94/43/1169449443.db2.gz XLACJGAWOQMQOK-UHFFFAOYSA-N 0 0 179.219 1.414 10 0 ADAERN COC(=O)Cc1cccc2c[nH]nc12 260422308 1169449592 /nfs/dbraw/zinc/44/95/92/1169449592.db2.gz LYBIGLBKUCHNIW-UHFFFAOYSA-N 0 0 190.202 1.278 10 0 ADAERN CCOC(=O)[C@H](C)c1cnn(C)c1C 260398617 1169449644 /nfs/dbraw/zinc/44/96/44/1169449644.db2.gz KUEXJLCBJXXQAI-SSDOTTSWSA-N 0 0 196.250 1.395 10 0 ADAERN CCOC(=O)[C@H](C)c1cc(C)nn1C 260405356 1169449683 /nfs/dbraw/zinc/44/96/83/1169449683.db2.gz LAQGLHSZOBAHNI-MRVPVSSYSA-N 0 0 196.250 1.395 10 0 ADAERN COC(=O)CCc1ccnc(C)c1 260538647 1169449797 /nfs/dbraw/zinc/44/97/97/1169449797.db2.gz SCGBKTXOZZPFST-UHFFFAOYSA-N 0 0 179.219 1.496 10 0 ADAERN CCOC(=O)[C@H](C)c1ccc(=O)[nH]c1 260923335 1169450296 /nfs/dbraw/zinc/45/02/96/1169450296.db2.gz VPRCZKIXFKMDRZ-SSDOTTSWSA-N 0 0 195.218 1.454 10 0 ADAERN CCC(CC)OCCC(=O)OC 261037292 1169450340 /nfs/dbraw/zinc/45/03/40/1169450340.db2.gz HACAMPJOZINEDX-UHFFFAOYSA-N 0 0 174.240 1.755 10 0 ADAERN CCOC(=O)[C@H](C)c1cccc(=O)[nH]1 260872758 1169450672 /nfs/dbraw/zinc/45/06/72/1169450672.db2.gz LWFIXSKSKMDFNT-SSDOTTSWSA-N 0 0 195.218 1.454 10 0 ADAERN COC(=O)CCc1cnccc1OC 260679805 1169450733 /nfs/dbraw/zinc/45/07/33/1169450733.db2.gz XBCKTXGWOCBVMH-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COC(=O)CCc1ccncc1F 260986756 1169450753 /nfs/dbraw/zinc/45/07/53/1169450753.db2.gz OWAQVZIDKIIFQK-UHFFFAOYSA-N 0 0 183.182 1.326 10 0 ADAERN CCOC(=O)Cc1ccnn1C(C)C 261026211 1169450762 /nfs/dbraw/zinc/45/07/62/1169450762.db2.gz AZQNXGZNOKHQMN-UHFFFAOYSA-N 0 0 196.250 1.570 10 0 ADAERN CCOC(=O)[C@H](C)OC1CC1 261045067 1169450898 /nfs/dbraw/zinc/45/08/98/1169450898.db2.gz IKKLWLOWVDXOHG-LURJTMIESA-N 0 0 158.197 1.117 10 0 ADAERN CCOC(=O)[C@H](C)c1cn(C)nc1C 260644422 1169451264 /nfs/dbraw/zinc/45/12/64/1169451264.db2.gz ZVBNRDSPYSVPDT-SSDOTTSWSA-N 0 0 196.250 1.395 10 0 ADAERN CCOC(=O)[C@H](C)c1ccnn1CC 261023477 1169451412 /nfs/dbraw/zinc/45/14/12/1169451412.db2.gz AYIWBSLVFOIHJD-MRVPVSSYSA-N 0 0 196.250 1.570 10 0 ADAERN CCOC(=O)[C@H](C)c1cc[nH]c(=O)c1 260943312 1169451713 /nfs/dbraw/zinc/45/17/13/1169451713.db2.gz ZOSJIJWJQSDVNX-SSDOTTSWSA-N 0 0 195.218 1.454 10 0 ADAERN CCOC(=O)Cc1cncc(CC)c1 260963207 1169451862 /nfs/dbraw/zinc/45/18/62/1169451862.db2.gz JDIKSSAHVWPBEI-UHFFFAOYSA-N 0 0 193.246 1.750 10 0 ADAERN CCOC(=O)[C@@H](C)c1ccc[nH]c1=O 260942622 1169451935 /nfs/dbraw/zinc/45/19/35/1169451935.db2.gz ZKMYKWMEDGLPNL-ZETCQYMHSA-N 0 0 195.218 1.454 10 0 ADAERN CCn1nccc1CCC(=O)OC 261017157 1169451958 /nfs/dbraw/zinc/45/19/58/1169451958.db2.gz XSHSLXUDTNBSPL-UHFFFAOYSA-N 0 0 182.223 1.009 10 0 ADAERN CCOC(=O)[C@@H](C)c1cc[nH]c(=O)c1 260943315 1169452148 /nfs/dbraw/zinc/45/21/48/1169452148.db2.gz ZOSJIJWJQSDVNX-ZETCQYMHSA-N 0 0 195.218 1.454 10 0 ADAERN CCOC(=O)CCc1cccc(=O)[nH]1 260935605 1169452192 /nfs/dbraw/zinc/45/21/92/1169452192.db2.gz XXZDSFBBYJSOAP-UHFFFAOYSA-N 0 0 195.218 1.283 10 0 ADAERN CCOC(=O)[C@@H](C)c1ccc(=O)[nH]c1 260923337 1169452451 /nfs/dbraw/zinc/45/24/51/1169452451.db2.gz VPRCZKIXFKMDRZ-ZETCQYMHSA-N 0 0 195.218 1.454 10 0 ADAERN CCOC(=O)[C@H](C)c1ccc[nH]c1=O 260942621 1169452357 /nfs/dbraw/zinc/45/23/57/1169452357.db2.gz ZKMYKWMEDGLPNL-SSDOTTSWSA-N 0 0 195.218 1.454 10 0 ADAERN COC(=O)c1cccc2ncncc12 260957382 1169452408 /nfs/dbraw/zinc/45/24/08/1169452408.db2.gz IBECHCUVGPPTPN-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN CCOC(=O)[C@@H](C)c1cccc(=O)[nH]1 260872761 1169452414 /nfs/dbraw/zinc/45/24/14/1169452414.db2.gz LWFIXSKSKMDFNT-ZETCQYMHSA-N 0 0 195.218 1.454 10 0 ADAERN CCOC(=O)[C@H](C)C1=CCOCC1 260900243 1169452554 /nfs/dbraw/zinc/45/25/54/1169452554.db2.gz QUMJWOHQLVDFPC-MRVPVSSYSA-N 0 0 184.235 1.532 10 0 ADAERN CCOC(=O)Cc1ccncc1OC 261045274 1169452633 /nfs/dbraw/zinc/45/26/33/1169452633.db2.gz KZTJNJCJMRAVJX-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN CCOC(=O)[C@@H](C)C1=CCOCC1 260900245 1169452637 /nfs/dbraw/zinc/45/26/37/1169452637.db2.gz QUMJWOHQLVDFPC-QMMMGPOBSA-N 0 0 184.235 1.532 10 0 ADAERN CCOC(=O)[C@@H](C)c1cn(C)nc1C 260644429 1169452649 /nfs/dbraw/zinc/45/26/49/1169452649.db2.gz ZVBNRDSPYSVPDT-ZETCQYMHSA-N 0 0 196.250 1.395 10 0 ADAERN CCOC(=O)[C@@H](C)OC1CC1 261045069 1169452665 /nfs/dbraw/zinc/45/26/65/1169452665.db2.gz IKKLWLOWVDXOHG-ZCFIWIBFSA-N 0 0 158.197 1.117 10 0 ADAERN CCOC(=O)[C@@H](C)c1ccnn1CC 261023482 1169452812 /nfs/dbraw/zinc/45/28/12/1169452812.db2.gz AYIWBSLVFOIHJD-QMMMGPOBSA-N 0 0 196.250 1.570 10 0 ADAERN COC(=O)Cc1cc(C)cnc1C 261029645 1169453035 /nfs/dbraw/zinc/45/30/35/1169453035.db2.gz ZOIGQVLWFAJHJW-UHFFFAOYSA-N 0 0 179.219 1.414 10 0 ADAERN CCn1nccc1CCCC(=O)OC 261026459 1169453170 /nfs/dbraw/zinc/45/31/70/1169453170.db2.gz BOUMSSKJMIFCBU-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN COC(=O)Cc1ccc(C2CC2)nc1 261147242 1169453850 /nfs/dbraw/zinc/45/38/50/1169453850.db2.gz QJBKHWGVMASYPG-UHFFFAOYSA-N 0 0 191.230 1.675 10 0 ADAERN COC(=O)CCc1ccnn1C(C)C 261119011 1169453983 /nfs/dbraw/zinc/45/39/83/1169453983.db2.gz GJBQJUSVYPAENI-UHFFFAOYSA-N 0 0 196.250 1.570 10 0 ADAERN COC(=O)CO[C@H]1CCCC[C@@H]1F 261136336 1169454096 /nfs/dbraw/zinc/45/40/96/1169454096.db2.gz NDNZFFNDAHGPSZ-YUMQZZPRSA-N 0 0 190.214 1.457 10 0 ADAERN CCO[C@@H]1CCC[C@@H](C(=O)OC)C1 261137908 1169454180 /nfs/dbraw/zinc/45/41/80/1169454180.db2.gz NCRIZRWULZHMKC-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN CCOC(=O)[C@H](C)O[C@@H](C)C(C)C 261084217 1169454257 /nfs/dbraw/zinc/45/42/57/1169454257.db2.gz SUCUPMHPKMVIQR-IUCAKERBSA-N 0 0 188.267 1.999 10 0 ADAERN COC(=O)[C@H](OC)c1ccccc1F 261143594 1169454307 /nfs/dbraw/zinc/45/43/07/1169454307.db2.gz PAIVCSBCTJQWKC-SECBINFHSA-N 0 0 198.193 1.686 10 0 ADAERN CCOC(=O)C1(CF)CCC1 261135546 1169454314 /nfs/dbraw/zinc/45/43/14/1169454314.db2.gz NJVWACAVBCOUGJ-UHFFFAOYSA-N 0 0 160.188 1.689 10 0 ADAERN CCOC(=O)[C@@H](C)O[C@@H](C)C(C)C 261084215 1169454322 /nfs/dbraw/zinc/45/43/22/1169454322.db2.gz SUCUPMHPKMVIQR-DTWKUNHWSA-N 0 0 188.267 1.999 10 0 ADAERN CCOC(=O)[C@H](OC(C)C)C1CC1 261189702 1169454355 /nfs/dbraw/zinc/45/43/55/1169454355.db2.gz NMFMWVFYYUEVAJ-SECBINFHSA-N 0 0 186.251 1.753 10 0 ADAERN COC(=O)[C@@H](OC)c1ccccc1F 261143596 1169454362 /nfs/dbraw/zinc/45/43/62/1169454362.db2.gz PAIVCSBCTJQWKC-VIFPVBQESA-N 0 0 198.193 1.686 10 0 ADAERN COC(=O)Cc1ccnn1C(C)C 261114046 1169454368 /nfs/dbraw/zinc/45/43/68/1169454368.db2.gz FHUJULPTVUCVID-UHFFFAOYSA-N 0 0 182.223 1.180 10 0 ADAERN COC(=O)CO[C@@H]1CCCC[C@@H]1F 261136334 1169454442 /nfs/dbraw/zinc/45/44/42/1169454442.db2.gz NDNZFFNDAHGPSZ-JGVFFNPUSA-N 0 0 190.214 1.457 10 0 ADAERN CCOC(=O)[C@H](C)O[C@H](C)CC 261093915 1169454739 /nfs/dbraw/zinc/45/47/39/1169454739.db2.gz WESCEUNTMYLXHD-SFYZADRCSA-N 0 0 174.240 1.753 10 0 ADAERN COC(=O)CCc1cnn(C2CC2)c1 261115192 1169454779 /nfs/dbraw/zinc/45/47/79/1169454779.db2.gz GZLMCQXJXJDEJS-UHFFFAOYSA-N 0 0 194.234 1.324 10 0 ADAERN CCOC(=O)CCO[C@@H](C)C1CC1 261104099 1169454805 /nfs/dbraw/zinc/45/48/05/1169454805.db2.gz ZKWSUJXZPZTTHI-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)[C@@H]1CC[C@H](OC(C)C)C1 261124110 1169454875 /nfs/dbraw/zinc/45/48/75/1169454875.db2.gz IAKJSUZXJXNVQR-BDAKNGLRSA-N 0 0 186.251 1.753 10 0 ADAERN CCOC(=O)CCOC1CC1 261105151 1169454932 /nfs/dbraw/zinc/45/49/32/1169454932.db2.gz ZWVOJYUUMGDZCC-UHFFFAOYSA-N 0 0 158.197 1.119 10 0 ADAERN CC[C@@H](C)O[C@H](C)C(=O)OC 261077018 1169454966 /nfs/dbraw/zinc/45/49/66/1169454966.db2.gz QVWQMZYRHUIHDK-RNFRBKRXSA-N 0 0 160.213 1.363 10 0 ADAERN CCOC(=O)[C@H](C)O[C@@H](C)CC 261093916 1169455016 /nfs/dbraw/zinc/45/50/16/1169455016.db2.gz WESCEUNTMYLXHD-YUMQZZPRSA-N 0 0 174.240 1.753 10 0 ADAERN CCOC(=O)COC(CC)CC 261089006 1169455130 /nfs/dbraw/zinc/45/51/30/1169455130.db2.gz UTMIQDFQMLPHOQ-UHFFFAOYSA-N 0 0 174.240 1.755 10 0 ADAERN CCOC(=O)Cc1cnn(C(C)C)c1 261119600 1169455158 /nfs/dbraw/zinc/45/51/58/1169455158.db2.gz GOAURRMHLQMHOO-UHFFFAOYSA-N 0 0 196.250 1.570 10 0 ADAERN COC(=O)[C@H](OC)c1cccc(F)c1 261144011 1169455168 /nfs/dbraw/zinc/45/51/68/1169455168.db2.gz PBRVLVCICVSFET-SECBINFHSA-N 0 0 198.193 1.686 10 0 ADAERN CCOC(=O)[C@H](C)O[C@H](C)C(C)C 261084213 1169455172 /nfs/dbraw/zinc/45/51/72/1169455172.db2.gz SUCUPMHPKMVIQR-BDAKNGLRSA-N 0 0 188.267 1.999 10 0 ADAERN CCOC(=O)[C@@H](C)O[C@H](C)C(C)C 261084219 1169455200 /nfs/dbraw/zinc/45/52/00/1169455200.db2.gz SUCUPMHPKMVIQR-RKDXNWHRSA-N 0 0 188.267 1.999 10 0 ADAERN COC(=O)CO[C@@H]1CCCC[C@H]1F 261136333 1169455247 /nfs/dbraw/zinc/45/52/47/1169455247.db2.gz NDNZFFNDAHGPSZ-HTQZYQBOSA-N 0 0 190.214 1.457 10 0 ADAERN COC(=O)C1(COC2CC2)CC1 261168079 1169455274 /nfs/dbraw/zinc/45/52/74/1169455274.db2.gz XZVWVMYNZFNVII-UHFFFAOYSA-N 0 0 170.208 1.119 10 0 ADAERN CCOC(=O)[C@@H](C)O[C@@H](C)CC 261093914 1169455297 /nfs/dbraw/zinc/45/52/97/1169455297.db2.gz WESCEUNTMYLXHD-JGVFFNPUSA-N 0 0 174.240 1.753 10 0 ADAERN CCOC(=O)[C@@H](OC(C)C)C1CC1 261189703 1169455321 /nfs/dbraw/zinc/45/53/21/1169455321.db2.gz NMFMWVFYYUEVAJ-VIFPVBQESA-N 0 0 186.251 1.753 10 0 ADAERN COC(=O)Cc1cnccc1C1CC1 261136981 1169455353 /nfs/dbraw/zinc/45/53/53/1169455353.db2.gz MUHJIJGHUCEJGB-UHFFFAOYSA-N 0 0 191.230 1.675 10 0 ADAERN COC(=O)CCO[C@@H](C)C1CC1 261093990 1169455367 /nfs/dbraw/zinc/45/53/67/1169455367.db2.gz WHESDSUNBDFSML-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN COC(=O)CCO[C@H](C)C1CC1 261093989 1169455377 /nfs/dbraw/zinc/45/53/77/1169455377.db2.gz WHESDSUNBDFSML-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN COC(=O)CO[C@H]1CCCC[C@H]1F 261136335 1169455421 /nfs/dbraw/zinc/45/54/21/1169455421.db2.gz NDNZFFNDAHGPSZ-SFYZADRCSA-N 0 0 190.214 1.457 10 0 ADAERN CCOC(=O)Cc1cnn(C2CC2)c1 261183782 1169455429 /nfs/dbraw/zinc/45/54/29/1169455429.db2.gz KMOUXUYLQYARQA-UHFFFAOYSA-N 0 0 194.234 1.324 10 0 ADAERN COC(=O)C1(COC(C)C)CC1 261130857 1169455512 /nfs/dbraw/zinc/45/55/12/1169455512.db2.gz LLDHKEMOGAHRLY-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)CCO[C@H](C)C1CC1 261103948 1169455520 /nfs/dbraw/zinc/45/55/20/1169455520.db2.gz ZKWSUJXZPZTTHI-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)[C@@H](OC)c1cccc(F)c1 261144012 1169455542 /nfs/dbraw/zinc/45/55/42/1169455542.db2.gz PBRVLVCICVSFET-VIFPVBQESA-N 0 0 198.193 1.686 10 0 ADAERN COC(=O)C1(COC2CCC2)CC1 261171778 1169455547 /nfs/dbraw/zinc/45/55/47/1169455547.db2.gz YXVJAFUBPDJEJF-UHFFFAOYSA-N 0 0 184.235 1.509 10 0 ADAERN CCOC(=O)[C@@H](C)O[C@H](C)CC 261093913 1169455583 /nfs/dbraw/zinc/45/55/83/1169455583.db2.gz WESCEUNTMYLXHD-HTQZYQBOSA-N 0 0 174.240 1.753 10 0 ADAERN COC(=O)C1(CF)CCC1 261164492 1169455604 /nfs/dbraw/zinc/45/56/04/1169455604.db2.gz XZAHMXSRSFCQKH-UHFFFAOYSA-N 0 0 146.161 1.299 10 0 ADAERN COC(=O)COC1CCSCC1 261089016 1169455664 /nfs/dbraw/zinc/45/56/64/1169455664.db2.gz UTNZRMOJPHFPGM-UHFFFAOYSA-N 0 0 190.264 1.072 10 0 ADAERN COC(=O)C1(COC2CCCC2)CC1 261115145 1169455746 /nfs/dbraw/zinc/45/57/46/1169455746.db2.gz GYCYCWUPFBWTAQ-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN CC[C@H](C)O[C@H](C)C(=O)OC 261077017 1169455784 /nfs/dbraw/zinc/45/57/84/1169455784.db2.gz QVWQMZYRHUIHDK-NKWVEPMBSA-N 0 0 160.213 1.363 10 0 ADAERN CCO[C@@H]1CCC[C@H](C(=O)OC)C1 261137906 1169455798 /nfs/dbraw/zinc/45/57/98/1169455798.db2.gz NCRIZRWULZHMKC-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN CCC(CC)OCC(=O)OC 261077006 1169455860 /nfs/dbraw/zinc/45/58/60/1169455860.db2.gz QVVNBYDSDXLFHN-UHFFFAOYSA-N 0 0 160.213 1.365 10 0 ADAERN COC(=O)CCc1cnc(C)cc1C 261137618 1169455961 /nfs/dbraw/zinc/45/59/61/1169455961.db2.gz NATUHQCPXVVWTP-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN COC(=O)Cc1cccc([C@H](C)O)c1 261292302 1169456642 /nfs/dbraw/zinc/45/66/42/1169456642.db2.gz MBSJPLJOKWCYAM-QMMMGPOBSA-N 0 0 194.230 1.455 10 0 ADAERN COC(=O)c1ccc(CN2CCC2)[nH]1 261312428 1169456700 /nfs/dbraw/zinc/45/67/00/1169456700.db2.gz XVYSVUKDPHPLQT-UHFFFAOYSA-N 0 0 194.234 1.007 10 0 ADAERN COC(=O)Cc1cnn(C2CCC2)c1 261211718 1169456709 /nfs/dbraw/zinc/45/67/09/1169456709.db2.gz IFBFREBXPWKVTE-UHFFFAOYSA-N 0 0 194.234 1.324 10 0 ADAERN COC(=O)c1ccnc(OC(C)C)n1 261236239 1169456733 /nfs/dbraw/zinc/45/67/33/1169456733.db2.gz WYXOQINRPZVYHQ-UHFFFAOYSA-N 0 0 196.206 1.050 10 0 ADAERN CCn1cc(CCCC(=O)OC)cn1 261231230 1169456737 /nfs/dbraw/zinc/45/67/37/1169456737.db2.gz SOTREUCEPFAPCG-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN CCOC(=O)Cc1cnccc1OC 261238815 1169456750 /nfs/dbraw/zinc/45/67/50/1169456750.db2.gz YTXZBQVJLOBHPA-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COC(=O)CCCc1cc(C)nn1C 261216369 1169456767 /nfs/dbraw/zinc/45/67/67/1169456767.db2.gz KRPHGCVMHQQBIF-UHFFFAOYSA-N 0 0 196.250 1.224 10 0 ADAERN COC(=O)CCCc1ccc(C)nc1 261207377 1169456813 /nfs/dbraw/zinc/45/68/13/1169456813.db2.gz FUQDNIBDIZBSBE-UHFFFAOYSA-N 0 0 193.246 1.886 10 0 ADAERN COC(=O)Cc1ccc(OC)nc1C 261304080 1169456844 /nfs/dbraw/zinc/45/68/44/1169456844.db2.gz SNNNSSBSVDULKR-UHFFFAOYSA-N 0 0 195.218 1.114 10 0 ADAERN CCOc1ncccc1CC(=O)OC 261237508 1169456879 /nfs/dbraw/zinc/45/68/79/1169456879.db2.gz XYUPFJBWETYVLZ-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COC(=O)CCCc1cnc(C)nc1 261300376 1169456913 /nfs/dbraw/zinc/45/69/13/1169456913.db2.gz QGRCRWJGBKXGKQ-UHFFFAOYSA-N 0 0 194.234 1.281 10 0 ADAERN COC(=O)CCCc1ccc(C)cn1 261221018 1169457029 /nfs/dbraw/zinc/45/70/29/1169457029.db2.gz NKHLTOWEPCTWQB-UHFFFAOYSA-N 0 0 193.246 1.886 10 0 ADAERN COC(=O)CCc1ccncc1C 261289446 1169457052 /nfs/dbraw/zinc/45/70/52/1169457052.db2.gz ZQNNUQNUVGUBEO-UHFFFAOYSA-N 0 0 179.219 1.496 10 0 ADAERN COC(=O)CCCc1cnccc1C 261206505 1169457058 /nfs/dbraw/zinc/45/70/58/1169457058.db2.gz FHSJXLXECGDQRR-UHFFFAOYSA-N 0 0 193.246 1.886 10 0 ADAERN COC(=O)Cc1cnn(CC(C)C)c1 261228618 1169457080 /nfs/dbraw/zinc/45/70/80/1169457080.db2.gz RRAASZBCQANXQY-UHFFFAOYSA-N 0 0 196.250 1.255 10 0 ADAERN COC(=O)c1cc(OC(C)C)ncn1 261232321 1169457161 /nfs/dbraw/zinc/45/71/61/1169457161.db2.gz UGHWAPAZUYYAHB-UHFFFAOYSA-N 0 0 196.206 1.050 10 0 ADAERN COC(=O)Cc1cc(C)nc(OC)c1 261227299 1169457286 /nfs/dbraw/zinc/45/72/86/1169457286.db2.gz QXEPPRHAFHIXPC-UHFFFAOYSA-N 0 0 195.218 1.114 10 0 ADAERN CCOc1cc(CC(=O)OC)ccn1 261233119 1169457304 /nfs/dbraw/zinc/45/73/04/1169457304.db2.gz UZQMBPGKMBHJAT-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COC(=O)CCc1ccn(C(C)C)n1 261257770 1169457310 /nfs/dbraw/zinc/45/73/10/1169457310.db2.gz CXSJBYGHSSNKKA-UHFFFAOYSA-N 0 0 196.250 1.570 10 0 ADAERN CCOC(=O)CCCc1cncn1C 261243701 1169457318 /nfs/dbraw/zinc/45/73/18/1169457318.db2.gz CKOREVUPCQVCCK-UHFFFAOYSA-N 0 0 196.250 1.306 10 0 ADAERN COC(=O)c1ccncc1OC(C)C 261227675 1169457334 /nfs/dbraw/zinc/45/73/34/1169457334.db2.gz RDFGAQTWNITHQW-UHFFFAOYSA-N 0 0 195.218 1.655 10 0 ADAERN COC(=O)c1cnc(OC(C)C)nc1 261207799 1169457539 /nfs/dbraw/zinc/45/75/39/1169457539.db2.gz GBMGLPTWGCQRIM-UHFFFAOYSA-N 0 0 196.206 1.050 10 0 ADAERN COC(=O)CCc1ccncc1Cl 261327416 1169457721 /nfs/dbraw/zinc/45/77/21/1169457721.db2.gz RFEBNFNIGQVLMF-UHFFFAOYSA-N 0 0 199.637 1.841 10 0 ADAERN COC(=O)Cc1cnc(C2CC2)nc1 261264615 1169457774 /nfs/dbraw/zinc/45/77/74/1169457774.db2.gz MINQVBVASVNWJI-UHFFFAOYSA-N 0 0 192.218 1.070 10 0 ADAERN COC(=O)CCCc1cccc(=O)[nH]1 261223689 1169457792 /nfs/dbraw/zinc/45/77/92/1169457792.db2.gz ORVAGZACPBZQKI-UHFFFAOYSA-N 0 0 195.218 1.283 10 0 ADAERN COC(=O)Cc1cccc([C@@H](C)O)c1 261292301 1169457818 /nfs/dbraw/zinc/45/78/18/1169457818.db2.gz MBSJPLJOKWCYAM-MRVPVSSYSA-N 0 0 194.230 1.455 10 0 ADAERN CCOc1cncc(CC(=O)OC)c1 261222103 1169457824 /nfs/dbraw/zinc/45/78/24/1169457824.db2.gz NVOYBAYLSSBRBW-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COC(=O)c1cncnc1OC(C)C 261222937 1169457852 /nfs/dbraw/zinc/45/78/52/1169457852.db2.gz OKFQWIAKOMIUPB-UHFFFAOYSA-N 0 0 196.206 1.050 10 0 ADAERN Cc1noc(N[C@H]2CC[C@H](O)CC2)n1 300063099 1169459861 /nfs/dbraw/zinc/45/98/61/1169459861.db2.gz QXZUZNXKATYOSY-ZKCHVHJHSA-N 0 0 197.238 1.093 10 0 ADAERN CCC(CC)CNc1cnnn1C 300792546 1169461127 /nfs/dbraw/zinc/46/11/27/1169461127.db2.gz BXEGJXRWKOPALA-UHFFFAOYSA-N 0 0 182.271 1.663 10 0 ADAERN CCn1nccc1-c1cncc(N)c1 300839761 1169461440 /nfs/dbraw/zinc/46/14/40/1169461440.db2.gz ILKNDWIYNCLTGU-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Cn1nncc1NCC(C)(C)C 300752506 1169461423 /nfs/dbraw/zinc/46/14/23/1169461423.db2.gz HUQCCNNXDXKJLM-UHFFFAOYSA-N 0 0 168.244 1.273 10 0 ADAERN Cc1c(-c2cncc(N)c2)cnn1C 300830743 1169461505 /nfs/dbraw/zinc/46/15/05/1169461505.db2.gz HHEKXXJEOBCJJT-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CO[C@H]1CC[C@H](Nc2nc(C)no2)C1 300380747 1169461780 /nfs/dbraw/zinc/46/17/80/1169461780.db2.gz DHPGGPHCCCQYQM-YUMQZZPRSA-N 0 0 197.238 1.357 10 0 ADAERN CC(C)=CC(=O)N1CCC1 300795418 1169462034 /nfs/dbraw/zinc/46/20/34/1169462034.db2.gz ZQBSYNVESBDFJD-UHFFFAOYSA-N 0 0 139.198 1.185 10 0 ADAERN Nc1cncc(Cc2ccccn2)c1 301003444 1169462913 /nfs/dbraw/zinc/46/29/13/1169462913.db2.gz WHBTZEKGOHSKPD-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Cc1nn(C)cc1-c1cncc(N)c1 300992540 1169463502 /nfs/dbraw/zinc/46/35/02/1169463502.db2.gz UKDBOGUVISCHBF-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1ccc(CNc2cnnn2C)o1 301008082 1169463635 /nfs/dbraw/zinc/46/36/35/1169463635.db2.gz XDACDCVOIBZXTJ-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN COc1cc(-c2cnoc2)ccn1 306150981 1169463739 /nfs/dbraw/zinc/46/37/39/1169463739.db2.gz GEGBJTYNXSVTJF-UHFFFAOYSA-N 0 0 176.175 1.745 10 0 ADAERN Cc1cc(NC[C@H](O)C(C)C)nn1C 300923450 1169463759 /nfs/dbraw/zinc/46/37/59/1169463759.db2.gz USPYMMAKOGUYDJ-VIFPVBQESA-N 0 0 197.282 1.157 10 0 ADAERN Cc1noc(N[C@@H]2CCOC[C@H]2C)n1 300958613 1169463768 /nfs/dbraw/zinc/46/37/68/1169463768.db2.gz GBQMLYASDVXNPT-HTRCEHHLSA-N 0 0 197.238 1.215 10 0 ADAERN Cc1noc(N[C@@H]2CCOC[C@@H]2C)n1 300958616 1169463914 /nfs/dbraw/zinc/46/39/14/1169463914.db2.gz GBQMLYASDVXNPT-POYBYMJQSA-N 0 0 197.238 1.215 10 0 ADAERN Cc1noc(N[C@H]2CCOC[C@H]2C)n1 300958618 1169463978 /nfs/dbraw/zinc/46/39/78/1169463978.db2.gz GBQMLYASDVXNPT-SVRRBLITSA-N 0 0 197.238 1.215 10 0 ADAERN Cc1nn(C)cc1NC[C@H](O)C(C)C 300917833 1169464082 /nfs/dbraw/zinc/46/40/82/1169464082.db2.gz SYQDNIYOOBRDJV-JTQLQIEISA-N 0 0 197.282 1.157 10 0 ADAERN Cc1noc(N[C@H]2CCOC[C@@H]2C)n1 300958620 1169464094 /nfs/dbraw/zinc/46/40/94/1169464094.db2.gz GBQMLYASDVXNPT-XPUUQOCRSA-N 0 0 197.238 1.215 10 0 ADAERN Cc1nn(C)cc1NC[C@@H](O)C(C)C 300917835 1169464116 /nfs/dbraw/zinc/46/41/16/1169464116.db2.gz SYQDNIYOOBRDJV-SNVBAGLBSA-N 0 0 197.282 1.157 10 0 ADAERN COc1ccc(C)c(NC[C@H](C)O)c1 300898012 1169464245 /nfs/dbraw/zinc/46/42/45/1169464245.db2.gz PRQNZBBIJXHCGY-VIFPVBQESA-N 0 0 195.262 1.796 10 0 ADAERN Nc1cncc(Cc2cccnc2)c1 300928763 1169464292 /nfs/dbraw/zinc/46/42/92/1169464292.db2.gz MCCISHHMAXLEOH-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1cncc(-c2ccncc2F)c1 300858655 1169464326 /nfs/dbraw/zinc/46/43/26/1169464326.db2.gz KJWIXHBWEXSJLV-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Cc1cc(NC[C@@H](O)C(C)C)nn1C 300923448 1169464408 /nfs/dbraw/zinc/46/44/08/1169464408.db2.gz USPYMMAKOGUYDJ-SECBINFHSA-N 0 0 197.282 1.157 10 0 ADAERN Cn1cnc(-c2ccc(O)cc2F)c1 306154617 1169464711 /nfs/dbraw/zinc/46/47/11/1169464711.db2.gz DQZKZJXIFWECIZ-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN COc1cccnc1N(C)C 306154192 1169464847 /nfs/dbraw/zinc/46/48/47/1169464847.db2.gz GRIBZYPJJQNDQR-UHFFFAOYSA-N 0 0 152.197 1.156 10 0 ADAERN COC(=O)Nc1ccc(F)cn1 306177553 1169465263 /nfs/dbraw/zinc/46/52/63/1169465263.db2.gz OFUSBKFSSVGYMT-UHFFFAOYSA-N 0 0 170.143 1.399 10 0 ADAERN Cn1nccc1Cn1cc(Cl)cn1 306179819 1169465355 /nfs/dbraw/zinc/46/53/55/1169465355.db2.gz RJYJKVHJOMFGLR-UHFFFAOYSA-N 0 0 196.641 1.318 10 0 ADAERN C=CS(=O)(=O)N1CCCCCC1 306178296 1169465411 /nfs/dbraw/zinc/46/54/11/1169465411.db2.gz QZUGLISIYGFRRH-UHFFFAOYSA-N 0 0 189.280 1.336 10 0 ADAERN C=CC(=O)NCCCCF 306206562 1169466426 /nfs/dbraw/zinc/46/64/26/1169466426.db2.gz IRGHBUYDKYHHKU-UHFFFAOYSA-N 0 0 145.177 1.038 10 0 ADAERN C[C@H]1CC[C@@H](COc2cn[nH]c2)O1 306207365 1169466452 /nfs/dbraw/zinc/46/64/52/1169466452.db2.gz XRPBEBXQDKGVFR-YUMQZZPRSA-N 0 0 182.223 1.356 10 0 ADAERN Cc1noc(N[C@@H]2CCCOCC2)n1 306206379 1169466505 /nfs/dbraw/zinc/46/65/05/1169466505.db2.gz VGWSCXYTIXXYQW-MRVPVSSYSA-N 0 0 197.238 1.359 10 0 ADAERN Cc1noc(N[C@H]2CCCOCC2)n1 306206382 1169466509 /nfs/dbraw/zinc/46/65/09/1169466509.db2.gz VGWSCXYTIXXYQW-QMMMGPOBSA-N 0 0 197.238 1.359 10 0 ADAERN S=C(NC1CC1)N[C@@H]1C[C@@H]1C1CC1 306228780 1169466992 /nfs/dbraw/zinc/46/69/92/1169466992.db2.gz ISRCBWQVKBZQOH-RKDXNWHRSA-N 0 0 196.319 1.411 10 0 ADAERN S=C(NC1CC1)N[C@H]1C[C@@H]1C1CC1 306228777 1169467096 /nfs/dbraw/zinc/46/70/96/1169467096.db2.gz ISRCBWQVKBZQOH-BDAKNGLRSA-N 0 0 196.319 1.411 10 0 ADAERN C[C@H](CC1CC1)N1CC(F)C1 306230063 1169467436 /nfs/dbraw/zinc/46/74/36/1169467436.db2.gz KBDYTFSQYPJAAB-SSDOTTSWSA-N 0 0 157.232 1.829 10 0 ADAERN Cc1nnc(CCc2ccco2)o1 306226992 1169467459 /nfs/dbraw/zinc/46/74/59/1169467459.db2.gz GMGUIBUXXDVGTR-UHFFFAOYSA-N 0 0 178.191 1.756 10 0 ADAERN CCc1nnc(C2(CC)COC2)o1 306232895 1169467491 /nfs/dbraw/zinc/46/74/91/1169467491.db2.gz APWSGFUFDDGNLP-UHFFFAOYSA-N 0 0 182.223 1.310 10 0 ADAERN S=C(NC1CC1)N[C@H]1C[C@H]1C1CC1 306228779 1169467878 /nfs/dbraw/zinc/46/78/78/1169467878.db2.gz ISRCBWQVKBZQOH-IUCAKERBSA-N 0 0 196.319 1.411 10 0 ADAERN O=C1CCC(OCc2ncc[nH]2)CC1 306234678 1169467907 /nfs/dbraw/zinc/46/79/07/1169467907.db2.gz GGVFITPHGYBYAC-UHFFFAOYSA-N 0 0 194.234 1.438 10 0 ADAERN CC(C)S(=O)(=O)N1CC(C)(C)C1 306229088 1169467944 /nfs/dbraw/zinc/46/79/44/1169467944.db2.gz HVIWIODXDUHJMK-UHFFFAOYSA-N 0 0 191.296 1.066 10 0 ADAERN Cn1cc(CN[C@@H]2C=CCCC2)nn1 306237420 1169468091 /nfs/dbraw/zinc/46/80/91/1169468091.db2.gz IABHZQMPNLJFPV-SECBINFHSA-N 0 0 192.266 1.013 10 0 ADAERN Cn1cc(CN[C@H]2C=CCCC2)nn1 306237428 1169468127 /nfs/dbraw/zinc/46/81/27/1169468127.db2.gz IABHZQMPNLJFPV-VIFPVBQESA-N 0 0 192.266 1.013 10 0 ADAERN Cc1nnc(-c2cc(C)n(C)n2)o1 306233677 1169468173 /nfs/dbraw/zinc/46/81/73/1169468173.db2.gz CVGUHWHQPQEHNO-UHFFFAOYSA-N 0 0 178.195 1.087 10 0 ADAERN Cn1cnc(-c2ccc(N)cc2F)c1 306230288 1169468196 /nfs/dbraw/zinc/46/81/96/1169468196.db2.gz ZCEKWGCTQAQVDG-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN C[C@@H](CC1CC1)N1CC(F)C1 306230064 1169468219 /nfs/dbraw/zinc/46/82/19/1169468219.db2.gz KBDYTFSQYPJAAB-ZETCQYMHSA-N 0 0 157.232 1.829 10 0 ADAERN CCNC(=O)NCC1(F)CCC1 306254521 1169468812 /nfs/dbraw/zinc/46/88/12/1169468812.db2.gz OLBOPCNYTARBNY-UHFFFAOYSA-N 0 0 174.219 1.198 10 0 ADAERN Cc1nc([C@@H](C)NC2CSC2)no1 306258940 1169469035 /nfs/dbraw/zinc/46/90/35/1169469035.db2.gz IYNTZZKROVGBBP-RXMQYKEDSA-N 0 0 199.279 1.144 10 0 ADAERN CC1(C)CN(c2nncs2)CCO1 306252483 1169469058 /nfs/dbraw/zinc/46/90/58/1169469058.db2.gz MKKZYXCMGKESHY-UHFFFAOYSA-N 0 0 199.279 1.153 10 0 ADAERN CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1O 306253142 1169469135 /nfs/dbraw/zinc/46/91/35/1169469135.db2.gz KDSPZJJMHPZQCZ-AEJSXWLSSA-N 0 0 199.294 1.308 10 0 ADAERN CC[C@H](C)Nc1cncc2nncn12 306249835 1169469323 /nfs/dbraw/zinc/46/93/23/1169469323.db2.gz RGLDBZJXUIXKPE-ZETCQYMHSA-N 0 0 191.238 1.335 10 0 ADAERN Cc1nc([C@H](C)NC2CSC2)no1 306258942 1169469464 /nfs/dbraw/zinc/46/94/64/1169469464.db2.gz IYNTZZKROVGBBP-YFKPBYRVSA-N 0 0 199.279 1.144 10 0 ADAERN Cc1cc(=O)n(-c2cccnc2)[nH]1 306258704 1169469533 /nfs/dbraw/zinc/46/95/33/1169469533.db2.gz YZPSCQWPYSVOAS-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN COC(=O)CN1C[C@H]2CCCC[C@H]21 306274477 1169470150 /nfs/dbraw/zinc/47/01/50/1169470150.db2.gz FNYZIDCPFBDJMN-RKDXNWHRSA-N 0 0 183.251 1.034 10 0 ADAERN CCN(C)C(=O)c1cnc(Cl)nc1 306389435 1169477878 /nfs/dbraw/zinc/47/78/78/1169477878.db2.gz WXXAFOMKHAZJFH-UHFFFAOYSA-N 0 0 199.641 1.222 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)N1CCCCC1 306273905 1169470253 /nfs/dbraw/zinc/47/02/53/1169470253.db2.gz JQQIKCBEEWGNTP-VHSXEESVSA-N 0 0 196.294 1.980 10 0 ADAERN Cc1nnc([C@H]2CCO[C@H]2C)o1 306277238 1169470325 /nfs/dbraw/zinc/47/03/25/1169470325.db2.gz FOADROSOKCUZSD-FSPLSTOPSA-N 0 0 168.196 1.270 10 0 ADAERN CCc1ncc(CN2CCC2)s1 306274356 1169470330 /nfs/dbraw/zinc/47/03/30/1169470330.db2.gz BRTNDOHPHRWGFF-UHFFFAOYSA-N 0 0 182.292 1.911 10 0 ADAERN Cc1nnc([C@H]2CCO[C@@H]2C)o1 306277241 1169470396 /nfs/dbraw/zinc/47/03/96/1169470396.db2.gz FOADROSOKCUZSD-VDTYLAMSSA-N 0 0 168.196 1.270 10 0 ADAERN Cc1nnc([C@@H]2CCO[C@@H]2C)o1 306277240 1169470402 /nfs/dbraw/zinc/47/04/02/1169470402.db2.gz FOADROSOKCUZSD-IYSWYEEDSA-N 0 0 168.196 1.270 10 0 ADAERN c1ncn(COC2CCCCC2)n1 306275951 1169470430 /nfs/dbraw/zinc/47/04/30/1169470430.db2.gz GPOVJSKAFRSHPO-UHFFFAOYSA-N 0 0 181.239 1.585 10 0 ADAERN COC(C)(C)CNc1cccnc1 306273217 1169470451 /nfs/dbraw/zinc/47/04/51/1169470451.db2.gz ZUSAQGGUVQLRRD-UHFFFAOYSA-N 0 0 180.251 1.919 10 0 ADAERN Cn1cnc(-c2cc(N)ccc2F)c1 306272021 1169470540 /nfs/dbraw/zinc/47/05/40/1169470540.db2.gz WRFTWQSRIUKVEO-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN COC(=O)N1CC[C@@H](C)C(F)(F)C1 306272259 1169470635 /nfs/dbraw/zinc/47/06/35/1169470635.db2.gz XCWOFOZDOBRIFE-ZCFIWIBFSA-N 0 0 193.193 1.730 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)N1CCCCC1 306273894 1169470711 /nfs/dbraw/zinc/47/07/11/1169470711.db2.gz JQQIKCBEEWGNTP-UWVGGRQHSA-N 0 0 196.294 1.980 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)N1CCCCC1 306273884 1169470793 /nfs/dbraw/zinc/47/07/93/1169470793.db2.gz JQQIKCBEEWGNTP-NXEZZACHSA-N 0 0 196.294 1.980 10 0 ADAERN Cc1nnc([C@@H]2CCO[C@H]2C)o1 306277236 1169470908 /nfs/dbraw/zinc/47/09/08/1169470908.db2.gz FOADROSOKCUZSD-CAHLUQPWSA-N 0 0 168.196 1.270 10 0 ADAERN Cc1ccc(-c2nnc(C)o2)nc1 306273131 1169470941 /nfs/dbraw/zinc/47/09/41/1169470941.db2.gz YSCHMSRCVSAKNE-UHFFFAOYSA-N 0 0 175.191 1.748 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)N1CCCCC1 306273914 1169470976 /nfs/dbraw/zinc/47/09/76/1169470976.db2.gz JQQIKCBEEWGNTP-ZJUUUORDSA-N 0 0 196.294 1.980 10 0 ADAERN COC(=O)N1CC[C@H](C)C(F)(F)C1 306272258 1169471155 /nfs/dbraw/zinc/47/11/55/1169471155.db2.gz XCWOFOZDOBRIFE-LURJTMIESA-N 0 0 193.193 1.730 10 0 ADAERN CCCNC(=O)N1C2CCC1CC2 306334515 1169472377 /nfs/dbraw/zinc/47/23/77/1169472377.db2.gz RLXGQNXGGGDIOF-UHFFFAOYSA-N 0 0 182.267 1.733 10 0 ADAERN CCCNC(=O)N1CCC(F)(F)C1 306332818 1169472492 /nfs/dbraw/zinc/47/24/92/1169472492.db2.gz FAAASIPIKFBVHW-UHFFFAOYSA-N 0 0 192.209 1.447 10 0 ADAERN CCC1(CNc2ccn(C)n2)COC1 306371749 1169473406 /nfs/dbraw/zinc/47/34/06/1169473406.db2.gz HQOSLOONVRBFIA-UHFFFAOYSA-N 0 0 195.266 1.259 10 0 ADAERN C(=C/C1CC1)\CNc1nncs1 306358677 1169473444 /nfs/dbraw/zinc/47/34/44/1169473444.db2.gz BFVCORUYYMTEHI-OWOJBTEDSA-N 0 0 181.264 1.916 10 0 ADAERN O=C(c1ccnc(F)c1)N1CC=CC1 306365926 1169473565 /nfs/dbraw/zinc/47/35/65/1169473565.db2.gz JHFANIONQLFGKM-UHFFFAOYSA-N 0 0 192.193 1.233 10 0 ADAERN COc1ccc(/C(C)=C/C(N)=O)cc1 306367479 1169473651 /nfs/dbraw/zinc/47/36/51/1169473651.db2.gz HPFNMAYYICYOLP-BQYQJAHWSA-N 0 0 191.230 1.584 10 0 ADAERN C[C@H]1C[C@H](N(C)CC(F)F)CCO1 306378765 1169473730 /nfs/dbraw/zinc/47/37/30/1169473730.db2.gz NNRPMUAQBKHBMP-JGVFFNPUSA-N 0 0 193.237 1.751 10 0 ADAERN Cc1nnc([C@@H](C(C)C)N(C)C)o1 306361440 1169473925 /nfs/dbraw/zinc/47/39/25/1169473925.db2.gz PIJRJRWPPNKCNH-MRVPVSSYSA-N 0 0 183.255 1.637 10 0 ADAERN C[C@H]1C[C@@H](N(C)CC(F)F)CCO1 306378773 1169474081 /nfs/dbraw/zinc/47/40/81/1169474081.db2.gz NNRPMUAQBKHBMP-YUMQZZPRSA-N 0 0 193.237 1.751 10 0 ADAERN CCCOC(=O)Nc1cc(C)no1 306364387 1169474843 /nfs/dbraw/zinc/47/48/43/1169474843.db2.gz BBFUMKYATVFFGV-UHFFFAOYSA-N 0 0 184.195 1.942 10 0 ADAERN O=c1[nH]cc(NCC2CCC2)c(=O)[nH]1 306372549 1169474960 /nfs/dbraw/zinc/47/49/60/1169474960.db2.gz RCJVUWHBVIQYMC-UHFFFAOYSA-N 0 0 195.222 1.100 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)NC1(C)CC1 306396951 1169475856 /nfs/dbraw/zinc/47/58/56/1169475856.db2.gz IHFGXLKMZBTHJV-YUMQZZPRSA-N 0 0 182.267 1.494 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)NC1(C)CC1 306396950 1169475869 /nfs/dbraw/zinc/47/58/69/1169475869.db2.gz IHFGXLKMZBTHJV-SFYZADRCSA-N 0 0 182.267 1.494 10 0 ADAERN CC(C)OC(=O)Nc1ccc(=O)[nH]c1 306393214 1169475913 /nfs/dbraw/zinc/47/59/13/1169475913.db2.gz DLNREUGGOXUIIJ-UHFFFAOYSA-N 0 0 196.206 1.744 10 0 ADAERN CC(C)(C)[C@H](CO)Nc1cccnn1 306388866 1169476705 /nfs/dbraw/zinc/47/67/05/1169476705.db2.gz WCGJFNQECRQOGA-QMMMGPOBSA-N 0 0 195.266 1.296 10 0 ADAERN CCCNc1nc(C)ncc1OC 306388116 1169477166 /nfs/dbraw/zinc/47/71/66/1169477166.db2.gz NHQFAVWLJLSOSM-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN COc1cccnc1CN(C)C 306389837 1169477515 /nfs/dbraw/zinc/47/75/15/1169477515.db2.gz XMOBPVUPJLPRCG-UHFFFAOYSA-N 0 0 166.224 1.152 10 0 ADAERN CCNC(=O)Cc1cncc(C)c1 306382130 1169477663 /nfs/dbraw/zinc/47/76/63/1169477663.db2.gz PEJFRZLRPIRUMX-UHFFFAOYSA-N 0 0 178.235 1.069 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)NC1(C)CC1 306396948 1169477812 /nfs/dbraw/zinc/47/78/12/1169477812.db2.gz IHFGXLKMZBTHJV-HTQZYQBOSA-N 0 0 182.267 1.494 10 0 ADAERN CCCc1nnc(-c2ccon2)o1 306391698 1169477824 /nfs/dbraw/zinc/47/78/24/1169477824.db2.gz DIQBVGDYESRECK-UHFFFAOYSA-N 0 0 179.179 1.677 10 0 ADAERN Cc1noc(NCCC(F)F)n1 306402004 1169477895 /nfs/dbraw/zinc/47/78/95/1169477895.db2.gz CTCDLZGDLUCBTK-UHFFFAOYSA-N 0 0 177.154 1.445 10 0 ADAERN CCCCNc1ccn(C)c(=O)c1 306380082 1169477939 /nfs/dbraw/zinc/47/79/39/1169477939.db2.gz QTDCXCOZKDXGAF-UHFFFAOYSA-N 0 0 180.251 1.597 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)NC1(C)CC1 306396949 1169477957 /nfs/dbraw/zinc/47/79/57/1169477957.db2.gz IHFGXLKMZBTHJV-JGVFFNPUSA-N 0 0 182.267 1.494 10 0 ADAERN CONC(=O)c1occ(C)c1C 306422689 1169478827 /nfs/dbraw/zinc/47/88/27/1169478827.db2.gz AUEKQCKGGWIGRA-UHFFFAOYSA-N 0 0 169.180 1.188 10 0 ADAERN COc1cccc(-c2cnoc2)n1 306422176 1169479257 /nfs/dbraw/zinc/47/92/57/1169479257.db2.gz HKBDBKBHJMRVQH-UHFFFAOYSA-N 0 0 176.175 1.745 10 0 ADAERN CCC(C)(C)CNc1ncnc(N)n1 306416736 1169479480 /nfs/dbraw/zinc/47/94/80/1169479480.db2.gz RBAHTVRKKFLLFH-UHFFFAOYSA-N 0 0 195.270 1.302 10 0 ADAERN Cc1nnc(CN2CCC2)s1 306425434 1169479514 /nfs/dbraw/zinc/47/95/14/1169479514.db2.gz JLYYGUCWFJXBRT-UHFFFAOYSA-N 0 0 169.253 1.052 10 0 ADAERN CCc1cccc(CO)c1F 306436142 1169480213 /nfs/dbraw/zinc/48/02/13/1169480213.db2.gz CGXWEXWKPRCLHM-UHFFFAOYSA-N 0 0 154.184 1.880 10 0 ADAERN C[C@H](CC(F)(F)F)[N@@H+]1CC[C@@H](O)C1 306435050 1169480263 /nfs/dbraw/zinc/48/02/63/1169480263.db2.gz KUJSYYPHNYGTDR-RNFRBKRXSA-N 0 0 197.200 1.394 10 0 ADAERN C[C@@H](CC(F)(F)F)[N@@H+]1CC[C@@H](O)C1 306435047 1169480391 /nfs/dbraw/zinc/48/03/91/1169480391.db2.gz KUJSYYPHNYGTDR-NKWVEPMBSA-N 0 0 197.200 1.394 10 0 ADAERN CC(C)(C)[C@H](O)CN1CCC(=O)CC1 306459866 1169480738 /nfs/dbraw/zinc/48/07/38/1169480738.db2.gz DUVCDMCZRWDHMR-SNVBAGLBSA-N 0 0 199.294 1.058 10 0 ADAERN Cc1noc([C@@H]2CC2(C)C)n1 306458925 1169481042 /nfs/dbraw/zinc/48/10/42/1169481042.db2.gz FYUMILPDIZRYRV-LURJTMIESA-N 0 0 152.197 1.892 10 0 ADAERN CC[C@@H](OC)c1nnc(C)o1 306460834 1169481089 /nfs/dbraw/zinc/48/10/89/1169481089.db2.gz HZNUWNVLVSFDRH-ZCFIWIBFSA-N 0 0 156.185 1.476 10 0 ADAERN CS[C@H](C)[C@@H](C)OC(C)=O 306455714 1169481100 /nfs/dbraw/zinc/48/11/00/1169481100.db2.gz QYGGQIAMBJLUFA-PHDIDXHHSA-N 0 0 162.254 1.690 10 0 ADAERN CS[C@H](C)[C@H](C)OC(C)=O 306455713 1169481265 /nfs/dbraw/zinc/48/12/65/1169481265.db2.gz QYGGQIAMBJLUFA-NTSWFWBYSA-N 0 0 162.254 1.690 10 0 ADAERN CS[C@@H](C)[C@@H](C)OC(C)=O 306455715 1169481642 /nfs/dbraw/zinc/48/16/42/1169481642.db2.gz QYGGQIAMBJLUFA-RITPCOANSA-N 0 0 162.254 1.690 10 0 ADAERN CC[C@H](OC)c1nnc(C)o1 306460833 1169481674 /nfs/dbraw/zinc/48/16/74/1169481674.db2.gz HZNUWNVLVSFDRH-LURJTMIESA-N 0 0 156.185 1.476 10 0 ADAERN CS[C@@H](C)[C@H](C)OC(C)=O 306455716 1169481748 /nfs/dbraw/zinc/48/17/48/1169481748.db2.gz QYGGQIAMBJLUFA-WDSKDSINSA-N 0 0 162.254 1.690 10 0 ADAERN CC(C)(C)[C@@H](O)CN1CCC(=O)CC1 306459865 1169481734 /nfs/dbraw/zinc/48/17/34/1169481734.db2.gz DUVCDMCZRWDHMR-JTQLQIEISA-N 0 0 199.294 1.058 10 0 ADAERN O[C@H]1CCCC[C@@H]1Cn1ccnc1 306577979 1169483943 /nfs/dbraw/zinc/48/39/43/1169483943.db2.gz VPFCHNRPBUVVPK-ZJUUUORDSA-N 0 0 180.251 1.434 10 0 ADAERN O[C@@H]1CCCC[C@H]1Cn1ccnc1 306577978 1169483999 /nfs/dbraw/zinc/48/39/99/1169483999.db2.gz VPFCHNRPBUVVPK-VHSXEESVSA-N 0 0 180.251 1.434 10 0 ADAERN O[C@H]1CCCC[C@H]1Cn1ccnc1 306577977 1169484024 /nfs/dbraw/zinc/48/40/24/1169484024.db2.gz VPFCHNRPBUVVPK-UWVGGRQHSA-N 0 0 180.251 1.434 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Cn1ccnc1 306577976 1169484037 /nfs/dbraw/zinc/48/40/37/1169484037.db2.gz VPFCHNRPBUVVPK-NXEZZACHSA-N 0 0 180.251 1.434 10 0 ADAERN Cn1cnc(-c2cc(O)cc(F)c2)c1 306608186 1169484764 /nfs/dbraw/zinc/48/47/64/1169484764.db2.gz IZYPJWLNKVENKV-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CC[C@H]1CCN(C(=O)[C@H](C)O)[C@H]1C 306701109 1169486652 /nfs/dbraw/zinc/48/66/52/1169486652.db2.gz GJOHPRGHTCSZSI-CIUDSAMLSA-N 0 0 185.267 1.014 10 0 ADAERN Fc1ccc(F)c(OC2COC2)c1 306685168 1169486687 /nfs/dbraw/zinc/48/66/87/1169486687.db2.gz ISVNMAPPCXWLIY-UHFFFAOYSA-N 0 0 186.157 1.742 10 0 ADAERN Cc1noc(N2CCC(C)CC2)n1 306689735 1169486773 /nfs/dbraw/zinc/48/67/73/1169486773.db2.gz LNHDZMBELZRUGO-UHFFFAOYSA-N 0 0 181.239 1.614 10 0 ADAERN CC(C)Oc1c(O)cccc1O 306681247 1169487020 /nfs/dbraw/zinc/48/70/20/1169487020.db2.gz NLTYLRVZSNYOSP-UHFFFAOYSA-N 0 0 168.192 1.885 10 0 ADAERN CC[S@](=O)Cc1cc(C)ncn1 306670155 1169487075 /nfs/dbraw/zinc/48/70/75/1169487075.db2.gz XIJWAFHJIHTGGU-LBPRGKRZSA-N 0 0 184.264 1.054 10 0 ADAERN CCc1nnc([C@@H]2CCO[C@H]2C)o1 306950090 1169494274 /nfs/dbraw/zinc/49/42/74/1169494274.db2.gz XWTCATRNEWAQGG-NKWVEPMBSA-N 0 0 182.223 1.524 10 0 ADAERN COC(=O)Cc1cncc(F)c1C 306699160 1169487393 /nfs/dbraw/zinc/48/73/93/1169487393.db2.gz IGJDMODVNLUJDB-UHFFFAOYSA-N 0 0 183.182 1.245 10 0 ADAERN Cn1cccc(-c2cscn2)c1=O 306687867 1169487400 /nfs/dbraw/zinc/48/74/00/1169487400.db2.gz ILCGQTLKOGXQFX-UHFFFAOYSA-N 0 0 192.243 1.509 10 0 ADAERN C=CC(=O)NC(C)(C)C1CCC1 306881421 1169491035 /nfs/dbraw/zinc/49/10/35/1169491035.db2.gz HOYQSWZMYCEINM-UHFFFAOYSA-N 0 0 167.252 1.867 10 0 ADAERN COc1ccnc(-c2cc[nH]n2)c1 306687855 1169487556 /nfs/dbraw/zinc/48/75/56/1169487556.db2.gz IJDLYRIBTOEUSC-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN CC[S@@](=O)Cc1cc(C)ncn1 306670153 1169487823 /nfs/dbraw/zinc/48/78/23/1169487823.db2.gz XIJWAFHJIHTGGU-GFCCVEGCSA-N 0 0 184.264 1.054 10 0 ADAERN CC[C@H]1CCN(C(=O)[C@H](C)O)[C@@H]1C 306701116 1169487833 /nfs/dbraw/zinc/48/78/33/1169487833.db2.gz GJOHPRGHTCSZSI-VGMNWLOBSA-N 0 0 185.267 1.014 10 0 ADAERN Cc1nnc(-c2nccs2)o1 306683008 1169487856 /nfs/dbraw/zinc/48/78/56/1169487856.db2.gz UGTDMIAHHFQEQO-UHFFFAOYSA-N 0 0 167.193 1.502 10 0 ADAERN Cc1nnc(-c2cccnc2F)o1 306682634 1169487864 /nfs/dbraw/zinc/48/78/64/1169487864.db2.gz RXZBMLVNUSAHFM-UHFFFAOYSA-N 0 0 179.154 1.579 10 0 ADAERN FC1CN(C2CCSCC2)C1 306754536 1169489234 /nfs/dbraw/zinc/48/92/34/1169489234.db2.gz PQDUGKRVBDVFGM-UHFFFAOYSA-N 0 0 175.272 1.536 10 0 ADAERN Cc1cccc(-c2ccncn2)n1 306795561 1169489889 /nfs/dbraw/zinc/48/98/89/1169489889.db2.gz UYNKBJZPAKCTPJ-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN C[C@H](O)[C@H](C)N[C@H]1CCCC1(F)F 306853147 1169490511 /nfs/dbraw/zinc/49/05/11/1169490511.db2.gz SYIVTUGIEJEIMP-FXQIFTODSA-N 0 0 193.237 1.533 10 0 ADAERN CCn1cc(C(N)=O)c(C(C)C)n1 306858023 1169490548 /nfs/dbraw/zinc/49/05/48/1169490548.db2.gz BTNLHISZCROCDB-UHFFFAOYSA-N 0 0 181.239 1.125 10 0 ADAERN C[C@H](O)[C@H](C)N[C@@H]1CCCC1(F)F 306853145 1169490618 /nfs/dbraw/zinc/49/06/18/1169490618.db2.gz SYIVTUGIEJEIMP-BIIVOSGPSA-N 0 0 193.237 1.533 10 0 ADAERN Cc1noc(NC[C@]2(C)CCOC2)n1 306890988 1169490767 /nfs/dbraw/zinc/49/07/67/1169490767.db2.gz WGFZENFTDIMWMC-VIFPVBQESA-N 0 0 197.238 1.217 10 0 ADAERN O=c1cc(C(F)(F)F)c(CO)c[nH]1 306883625 1169490813 /nfs/dbraw/zinc/49/08/13/1169490813.db2.gz KNLSIBGUPRDWOC-UHFFFAOYSA-N 0 0 193.124 1.298 10 0 ADAERN C[C@H](O)[C@@H](C)N[C@H]1CCCC1(F)F 306853146 1169490849 /nfs/dbraw/zinc/49/08/49/1169490849.db2.gz SYIVTUGIEJEIMP-CSMHCCOUSA-N 0 0 193.237 1.533 10 0 ADAERN Cc1noc(NCCC2(O)CCC2)n1 306884179 1169491045 /nfs/dbraw/zinc/49/10/45/1169491045.db2.gz LLLIQIYQSQJJDP-UHFFFAOYSA-N 0 0 197.238 1.095 10 0 ADAERN C[C@H](O)[C@@H](C)N[C@@H]1CCCC1(F)F 306853148 1169491518 /nfs/dbraw/zinc/49/15/18/1169491518.db2.gz SYIVTUGIEJEIMP-GJMOJQLCSA-N 0 0 193.237 1.533 10 0 ADAERN Cc1ccc(-c2cn(C)cn2)c(N)c1 306895911 1169491659 /nfs/dbraw/zinc/49/16/59/1169491659.db2.gz OFFJUVXFGJPZFD-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN COC(=O)Cc1cnc(F)cc1C 306856973 1169491679 /nfs/dbraw/zinc/49/16/79/1169491679.db2.gz ZAPSJSYVMYWSEZ-UHFFFAOYSA-N 0 0 183.182 1.245 10 0 ADAERN CSCSc1ncccn1 306858824 1169491751 /nfs/dbraw/zinc/49/17/51/1169491751.db2.gz BCUURTPQMCFPNG-UHFFFAOYSA-N 0 0 172.278 1.889 10 0 ADAERN Cc1nnc(-c2cnoc2)o1 306853639 1169491917 /nfs/dbraw/zinc/49/19/17/1169491917.db2.gz ULNRDXQCWGWMAJ-UHFFFAOYSA-N 0 0 151.125 1.033 10 0 ADAERN Cc1noc(NC[C@@]2(C)CCOC2)n1 306890985 1169492036 /nfs/dbraw/zinc/49/20/36/1169492036.db2.gz WGFZENFTDIMWMC-SECBINFHSA-N 0 0 197.238 1.217 10 0 ADAERN Cn1cnc(-c2cc(F)ccc2N)c1 306925901 1169492565 /nfs/dbraw/zinc/49/25/65/1169492565.db2.gz NXMHETUBUHWSHK-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN C=CC(=O)Nc1sc(C)nc1C 306924336 1169493036 /nfs/dbraw/zinc/49/30/36/1169493036.db2.gz IYMGNWPNUFRFIA-UHFFFAOYSA-N 0 0 182.248 1.884 10 0 ADAERN CC1(NS(=O)(=O)C(F)F)CCC1 306922315 1169493431 /nfs/dbraw/zinc/49/34/31/1169493431.db2.gz VAKUWZKMLRWMCQ-UHFFFAOYSA-N 0 0 199.222 1.071 10 0 ADAERN CCc1nnc([C@H]2CCO[C@H]2C)o1 306950089 1169494316 /nfs/dbraw/zinc/49/43/16/1169494316.db2.gz XWTCATRNEWAQGG-BQBZGAKWSA-N 0 0 182.223 1.524 10 0 ADAERN Cc1nnc([C@@H](C)n2ccnc2)o1 306944883 1169494398 /nfs/dbraw/zinc/49/43/98/1169494398.db2.gz ZBWPSCWJKTUKEG-ZCFIWIBFSA-N 0 0 178.195 1.184 10 0 ADAERN Cc1cncc(CN2CCC(=O)C2)c1 306939629 1169494467 /nfs/dbraw/zinc/49/44/67/1169494467.db2.gz OJXGRXLZTAHTEV-UHFFFAOYSA-N 0 0 190.246 1.165 10 0 ADAERN C[C@@H]1CCN1C(=O)NCC(F)(F)F 306964653 1169494573 /nfs/dbraw/zinc/49/45/73/1169494573.db2.gz MQWIHSXMWJRLMA-RXMQYKEDSA-N 0 0 196.172 1.353 10 0 ADAERN CCc1nnc([C@H]2CCO[C@@H]2C)o1 306950092 1169495045 /nfs/dbraw/zinc/49/50/45/1169495045.db2.gz XWTCATRNEWAQGG-RQJHMYQMSA-N 0 0 182.223 1.524 10 0 ADAERN C=CC(=O)N1CCC=C(F)C1 306939685 1169495524 /nfs/dbraw/zinc/49/55/24/1169495524.db2.gz BANSUHOTTNJGMV-UHFFFAOYSA-N 0 0 155.172 1.258 10 0 ADAERN CCCNC(=O)N1CCC2(CC2)C1 306960098 1169495632 /nfs/dbraw/zinc/49/56/32/1169495632.db2.gz BCOCGFFMVQJVBG-UHFFFAOYSA-N 0 0 182.267 1.592 10 0 ADAERN CC1(C)CC(Nc2ncnc(N)n2)C1 306963091 1169495921 /nfs/dbraw/zinc/49/59/21/1169495921.db2.gz CGHWWYJMLBBIKP-UHFFFAOYSA-N 0 0 193.254 1.054 10 0 ADAERN O=C(Nc1ccccc1)C1COC1 306968034 1169496257 /nfs/dbraw/zinc/49/62/57/1169496257.db2.gz QIRNMRKIURMGPA-UHFFFAOYSA-N 0 0 177.203 1.272 10 0 ADAERN C[C@H]1CCN1C(=O)NCC(F)(F)F 306964654 1169496373 /nfs/dbraw/zinc/49/63/73/1169496373.db2.gz MQWIHSXMWJRLMA-YFKPBYRVSA-N 0 0 196.172 1.353 10 0 ADAERN CCc1nnc([C@@H]2CCO[C@@H]2C)o1 306950091 1169496640 /nfs/dbraw/zinc/49/66/40/1169496640.db2.gz XWTCATRNEWAQGG-RNFRBKRXSA-N 0 0 182.223 1.524 10 0 ADAERN CC(C)(C)CCNc1ncnc(N)n1 307023014 1169497882 /nfs/dbraw/zinc/49/78/82/1169497882.db2.gz FJIVAMZGBHTCHA-UHFFFAOYSA-N 0 0 195.270 1.302 10 0 ADAERN Cc1c(F)ccc(N)c1C(=O)N(C)C 307016517 1169497930 /nfs/dbraw/zinc/49/79/30/1169497930.db2.gz RLQVUBVFTTTYPX-UHFFFAOYSA-N 0 0 196.225 1.418 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CCC(O)CC1 307054906 1169498741 /nfs/dbraw/zinc/49/87/41/1169498741.db2.gz YDFPCIGFHOSPKA-PSASIEDQSA-N 0 0 197.278 1.016 10 0 ADAERN CCc1nnc(Cc2ccc[nH]2)o1 307056094 1169499084 /nfs/dbraw/zinc/49/90/84/1169499084.db2.gz AESVSIGASCTASP-UHFFFAOYSA-N 0 0 177.207 1.551 10 0 ADAERN OC1(CCNc2nncs2)CCC1 307053718 1169499315 /nfs/dbraw/zinc/49/93/15/1169499315.db2.gz KPZOCMPCEJARQO-UHFFFAOYSA-N 0 0 199.279 1.255 10 0 ADAERN FC(F)(F)CN1CCO[C@@H]2C[C@@H]21 307066068 1169499506 /nfs/dbraw/zinc/49/95/06/1169499506.db2.gz UYYGPEUDACGKPR-NTSWFWBYSA-N 0 0 181.157 1.022 10 0 ADAERN C(=C/C1CC1)\CNc1ncccn1 307060490 1169499514 /nfs/dbraw/zinc/49/95/14/1169499514.db2.gz DKFZLXXMNMXPEZ-HNQUOIGGSA-N 0 0 175.235 1.855 10 0 ADAERN FC1CN(C2CCCC2)C1 307062165 1169499827 /nfs/dbraw/zinc/49/98/27/1169499827.db2.gz FWODCWCOFDYUKF-UHFFFAOYSA-N 0 0 143.205 1.583 10 0 ADAERN FC(F)(F)CN1CCO[C@H]2C[C@H]21 307066071 1169499920 /nfs/dbraw/zinc/49/99/20/1169499920.db2.gz UYYGPEUDACGKPR-RITPCOANSA-N 0 0 181.157 1.022 10 0 ADAERN COc1ncc(-c2ccncc2)cn1 307100432 1169500408 /nfs/dbraw/zinc/50/04/08/1169500408.db2.gz TVQRGBNTKVQCOP-UHFFFAOYSA-N 0 0 187.202 1.547 10 0 ADAERN CC1(F)CN(C[C@H](O)C(C)(C)C)C1 307097240 1169500546 /nfs/dbraw/zinc/50/05/46/1169500546.db2.gz PTVYUZZMSCAILH-QMMMGPOBSA-N 0 0 189.274 1.437 10 0 ADAERN OCCN1CCC[C@@H]1c1nccs1 307097333 1169500850 /nfs/dbraw/zinc/50/08/50/1169500850.db2.gz PWZLVXUDHSSHGC-MRVPVSSYSA-N 0 0 198.291 1.272 10 0 ADAERN CSC[C@H](C)C(=O)Nc1c[nH]cn1 307082214 1169501083 /nfs/dbraw/zinc/50/10/83/1169501083.db2.gz JRGJVMDDSAZHDE-LURJTMIESA-N 0 0 199.279 1.347 10 0 ADAERN Cc1ncccc1-c1cccnn1 307098944 1169501145 /nfs/dbraw/zinc/50/11/45/1169501145.db2.gz RGSNNVDBEPWFQX-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN OCCN1CCC[C@H]1c1nccs1 307097336 1169501260 /nfs/dbraw/zinc/50/12/60/1169501260.db2.gz PWZLVXUDHSSHGC-QMMMGPOBSA-N 0 0 198.291 1.272 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1ncnc(N)n1 307094981 1169501369 /nfs/dbraw/zinc/50/13/69/1169501369.db2.gz FOIGINCIPUHBFV-NKWVEPMBSA-N 0 0 193.254 1.054 10 0 ADAERN CSC[C@@H](C)C(=O)Nc1c[nH]cn1 307082217 1169501425 /nfs/dbraw/zinc/50/14/25/1169501425.db2.gz JRGJVMDDSAZHDE-ZCFIWIBFSA-N 0 0 199.279 1.347 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1ncnc(N)n1 307094982 1169501477 /nfs/dbraw/zinc/50/14/77/1169501477.db2.gz FOIGINCIPUHBFV-RNFRBKRXSA-N 0 0 193.254 1.054 10 0 ADAERN Cc1noc(NC[C@H]2CC[C@H](C)O2)n1 307098743 1169501511 /nfs/dbraw/zinc/50/15/11/1169501511.db2.gz WJVGBRJNSOETTI-POYBYMJQSA-N 0 0 197.238 1.357 10 0 ADAERN CC1(F)CN(C[C@@H](O)C(C)(C)C)C1 307097237 1169501765 /nfs/dbraw/zinc/50/17/65/1169501765.db2.gz PTVYUZZMSCAILH-MRVPVSSYSA-N 0 0 189.274 1.437 10 0 ADAERN CCNC(=S)N[C@H](C)c1ccoc1 307101056 1169501961 /nfs/dbraw/zinc/50/19/61/1169501961.db2.gz HIYBJXOTZNAXNA-SSDOTTSWSA-N 0 0 198.291 1.825 10 0 ADAERN Cc1coc(NC[C@H](O)C(C)(C)C)n1 307085223 1169502284 /nfs/dbraw/zinc/50/22/84/1169502284.db2.gz MBGPMSNWZXGMGZ-QMMMGPOBSA-N 0 0 198.266 1.802 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1ncnc(N)n1 307094980 1169502433 /nfs/dbraw/zinc/50/24/33/1169502433.db2.gz FOIGINCIPUHBFV-BQBZGAKWSA-N 0 0 193.254 1.054 10 0 ADAERN Cc1noc(NC[C@@H]2CC[C@@H](C)O2)n1 307098744 1169502834 /nfs/dbraw/zinc/50/28/34/1169502834.db2.gz WJVGBRJNSOETTI-SVRRBLITSA-N 0 0 197.238 1.357 10 0 ADAERN Cc1noc(NC[C@H]2CC[C@@H](C)O2)n1 307098742 1169502911 /nfs/dbraw/zinc/50/29/11/1169502911.db2.gz WJVGBRJNSOETTI-HTRCEHHLSA-N 0 0 197.238 1.357 10 0 ADAERN CC(C)(O)CNc1ccc(CO)cc1 307081468 1169503134 /nfs/dbraw/zinc/50/31/34/1169503134.db2.gz JIMMAZXYMOVLBW-UHFFFAOYSA-N 0 0 195.262 1.362 10 0 ADAERN CCNC(=S)N[C@@H](C)c1ccoc1 307101057 1169503196 /nfs/dbraw/zinc/50/31/96/1169503196.db2.gz HIYBJXOTZNAXNA-ZETCQYMHSA-N 0 0 198.291 1.825 10 0 ADAERN Cc1noc(NC[C@@H]2CC[C@H](C)O2)n1 307098745 1169503212 /nfs/dbraw/zinc/50/32/12/1169503212.db2.gz WJVGBRJNSOETTI-XPUUQOCRSA-N 0 0 197.238 1.357 10 0 ADAERN Cc1coc(NC[C@@H](O)C(C)(C)C)n1 307085222 1169503262 /nfs/dbraw/zinc/50/32/62/1169503262.db2.gz MBGPMSNWZXGMGZ-MRVPVSSYSA-N 0 0 198.266 1.802 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1ncnc(N)n1 307094983 1169503386 /nfs/dbraw/zinc/50/33/86/1169503386.db2.gz FOIGINCIPUHBFV-RQJHMYQMSA-N 0 0 193.254 1.054 10 0 ADAERN CC[S@@](=O)Cc1ccnc(C)n1 307102984 1169504015 /nfs/dbraw/zinc/50/40/15/1169504015.db2.gz BGVAJCLDJWULHE-GFCCVEGCSA-N 0 0 184.264 1.054 10 0 ADAERN CC[S@](=O)Cc1ccnc(C)n1 307102987 1169504023 /nfs/dbraw/zinc/50/40/23/1169504023.db2.gz BGVAJCLDJWULHE-LBPRGKRZSA-N 0 0 184.264 1.054 10 0 ADAERN Cc1ncccc1-c1cncnc1 307102141 1169504059 /nfs/dbraw/zinc/50/40/59/1169504059.db2.gz VROATTHSGUESFI-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN CC[C@H](Nc1nncs1)[C@@H](C)O 307136682 1169504314 /nfs/dbraw/zinc/50/43/14/1169504314.db2.gz VIGGKINFXOMGKT-RITPCOANSA-N 0 0 187.268 1.109 10 0 ADAERN COC(=O)Nc1cnc(C)s1 307136336 1169504332 /nfs/dbraw/zinc/50/43/32/1169504332.db2.gz UGXFRFBRZLPADP-UHFFFAOYSA-N 0 0 172.209 1.630 10 0 ADAERN CC[C@@H](Nc1nncs1)[C@@H](C)O 307136681 1169504544 /nfs/dbraw/zinc/50/45/44/1169504544.db2.gz VIGGKINFXOMGKT-PHDIDXHHSA-N 0 0 187.268 1.109 10 0 ADAERN CC[C@H](Nc1nncs1)[C@H](C)O 307136683 1169504575 /nfs/dbraw/zinc/50/45/75/1169504575.db2.gz VIGGKINFXOMGKT-WDSKDSINSA-N 0 0 187.268 1.109 10 0 ADAERN CC[C@@H](Nc1nncs1)[C@H](C)O 307136680 1169504532 /nfs/dbraw/zinc/50/45/32/1169504532.db2.gz VIGGKINFXOMGKT-NTSWFWBYSA-N 0 0 187.268 1.109 10 0 ADAERN Cc1nnc(-c2cccc(=O)[nH]2)o1 307161351 1169505067 /nfs/dbraw/zinc/50/50/67/1169505067.db2.gz GAJVIVJLWXHBCI-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN COc1cnn(-c2ccccc2N)c1 307164972 1169505439 /nfs/dbraw/zinc/50/54/39/1169505439.db2.gz KKIQQBOAFJGZFN-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN Cc1ncncc1-c1nccs1 307158868 1169505205 /nfs/dbraw/zinc/50/52/05/1169505205.db2.gz BUXZQSZXVCSJFP-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN Cc1ncccc1O[C@@H]1CCOC1 307156872 1169505407 /nfs/dbraw/zinc/50/54/07/1169505407.db2.gz XJJLPLRTVMBJMH-SECBINFHSA-N 0 0 179.219 1.558 10 0 ADAERN c1cc(CN2CCC[C@@H]3C[C@@H]32)no1 307204631 1169506064 /nfs/dbraw/zinc/50/60/64/1169506064.db2.gz FZJVYJNHUMBSNY-SCZZXKLOSA-N 0 0 178.235 1.659 10 0 ADAERN C[C@@H]1CC[C@@H](O)CN1CC(F)(F)F 307205695 1169506174 /nfs/dbraw/zinc/50/61/74/1169506174.db2.gz GURZDIYGYZREFG-RNFRBKRXSA-N 0 0 197.200 1.394 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1ncnc(N)n1 307197731 1169506773 /nfs/dbraw/zinc/50/67/73/1169506773.db2.gz SFPFYESHIXMJHO-RNFRBKRXSA-N 0 0 195.270 1.300 10 0 ADAERN CC[C@H](C)[C@@H](C)Nc1ncnc(N)n1 307197730 1169506894 /nfs/dbraw/zinc/50/68/94/1169506894.db2.gz SFPFYESHIXMJHO-NKWVEPMBSA-N 0 0 195.270 1.300 10 0 ADAERN Cc1nccnc1-c1cscn1 307206413 1169507208 /nfs/dbraw/zinc/50/72/08/1169507208.db2.gz KYFXBJRLCJKTQC-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN CC[C@@H](C)[C@H](C)Nc1ncnc(N)n1 307197732 1169507287 /nfs/dbraw/zinc/50/72/87/1169507287.db2.gz SFPFYESHIXMJHO-RQJHMYQMSA-N 0 0 195.270 1.300 10 0 ADAERN Cc1cncc(CC(=O)N(C)C)c1 307207024 1169507430 /nfs/dbraw/zinc/50/74/30/1169507430.db2.gz IFTJPLNDHCUHLH-UHFFFAOYSA-N 0 0 178.235 1.021 10 0 ADAERN Cc1nc(CN(C)C2CC2)c[nH]1 307197334 1169507583 /nfs/dbraw/zinc/50/75/83/1169507583.db2.gz VPJLSDUOUPGFFG-UHFFFAOYSA-N 0 0 165.240 1.312 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1ncnc(N)n1 307197729 1169508134 /nfs/dbraw/zinc/50/81/34/1169508134.db2.gz SFPFYESHIXMJHO-BQBZGAKWSA-N 0 0 195.270 1.300 10 0 ADAERN COC(=O)Cc1cc(C)cnc1F 307213403 1169508413 /nfs/dbraw/zinc/50/84/13/1169508413.db2.gz QGHYLGJPBRAFMD-UHFFFAOYSA-N 0 0 183.182 1.245 10 0 ADAERN CCC(CC)Nc1c[nH]c(=O)[nH]c1=O 307207199 1169508420 /nfs/dbraw/zinc/50/84/20/1169508420.db2.gz IFXRSUHMDACXTE-UHFFFAOYSA-N 0 0 197.238 1.488 10 0 ADAERN CCCc1nnc(-c2cnsn2)o1 307202694 1169508838 /nfs/dbraw/zinc/50/88/38/1169508838.db2.gz DNODYJTTYMZPIB-UHFFFAOYSA-N 0 0 196.235 1.541 10 0 ADAERN Cc1noc(N(C)CC2CC2)n1 307203234 1169509195 /nfs/dbraw/zinc/50/91/95/1169509195.db2.gz CZFGEBCYCBJAKX-UHFFFAOYSA-N 0 0 167.212 1.224 10 0 ADAERN Cc1nnc(C2(C(F)(F)F)CC2)o1 307221134 1169509810 /nfs/dbraw/zinc/50/98/10/1169509810.db2.gz XTKOFRNIIQFGKO-UHFFFAOYSA-N 0 0 192.140 1.972 10 0 ADAERN CCC(=O)N1C[C@H](CO)CC[C@@H]1C 307223540 1169509823 /nfs/dbraw/zinc/50/98/23/1169509823.db2.gz RTEYMRXZDWCUBO-DTWKUNHWSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1cnnc(NCCC(C)(C)O)c1 307226030 1169509964 /nfs/dbraw/zinc/50/99/64/1169509964.db2.gz FNKWCAQKSKNZTP-UHFFFAOYSA-N 0 0 195.266 1.358 10 0 ADAERN CCC(=O)N1C[C@H](CO)CC[C@H]1C 307223542 1169510246 /nfs/dbraw/zinc/51/02/46/1169510246.db2.gz RTEYMRXZDWCUBO-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN CCC(=O)N1C[C@@H](CO)CC[C@H]1C 307223539 1169510693 /nfs/dbraw/zinc/51/06/93/1169510693.db2.gz RTEYMRXZDWCUBO-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1noc(NCCC(C)(F)F)n1 307243542 1169510798 /nfs/dbraw/zinc/51/07/98/1169510798.db2.gz SXINMCXPQLREIC-UHFFFAOYSA-N 0 0 191.181 1.835 10 0 ADAERN C/C(=C/c1ccco1)C(N)=O 307233653 1169511628 /nfs/dbraw/zinc/51/16/28/1169511628.db2.gz MDIIPRVEUZERLW-WAYWQWQTSA-N 0 0 151.165 1.168 10 0 ADAERN O=C(c1ccc(F)nc1)N1CC=CC1 307220079 1169511873 /nfs/dbraw/zinc/51/18/73/1169511873.db2.gz HPZBIGDQRMDLKZ-UHFFFAOYSA-N 0 0 192.193 1.233 10 0 ADAERN CCC(=O)N1C[C@@H](CO)CC[C@@H]1C 307223541 1169512260 /nfs/dbraw/zinc/51/22/60/1169512260.db2.gz RTEYMRXZDWCUBO-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN CS/C=C/c1nnc(C)o1 307258697 1169512670 /nfs/dbraw/zinc/51/26/70/1169512670.db2.gz CTRGWJOXBIJCAI-ONEGZZNKSA-N 0 0 156.210 1.712 10 0 ADAERN Cc1noc(N2CC[C@H](C)C2)n1 307258932 1169512800 /nfs/dbraw/zinc/51/28/00/1169512800.db2.gz GAMMANAUMKNLSL-LURJTMIESA-N 0 0 167.212 1.224 10 0 ADAERN Cc1noc(N2CC[C@@H](C)C2)n1 307258933 1169512812 /nfs/dbraw/zinc/51/28/12/1169512812.db2.gz GAMMANAUMKNLSL-ZCFIWIBFSA-N 0 0 167.212 1.224 10 0 ADAERN Cc1noc(N2CCC[C@@H](C)C2)n1 307298044 1169513267 /nfs/dbraw/zinc/51/32/67/1169513267.db2.gz QHWHFKYYMWUGAO-SSDOTTSWSA-N 0 0 181.239 1.614 10 0 ADAERN CCCOC(=O)Nc1cc(C)n(C)n1 307294141 1169513347 /nfs/dbraw/zinc/51/33/47/1169513347.db2.gz FTZQRXVRZOFSIS-UHFFFAOYSA-N 0 0 197.238 1.687 10 0 ADAERN Cc1noc(N2CCC[C@H](C)C2)n1 307298045 1169513502 /nfs/dbraw/zinc/51/35/02/1169513502.db2.gz QHWHFKYYMWUGAO-ZETCQYMHSA-N 0 0 181.239 1.614 10 0 ADAERN CCCNC(=S)N1CCC[C@H]2C[C@H]21 307320919 1169514406 /nfs/dbraw/zinc/51/44/06/1169514406.db2.gz POYHLUIORFPHJZ-DTWKUNHWSA-N 0 0 198.335 1.755 10 0 ADAERN c1ncc(-c2nnc(C3CC3)o2)o1 307324105 1169515282 /nfs/dbraw/zinc/51/52/82/1169515282.db2.gz DNRCRJXEXYCIDW-UHFFFAOYSA-N 0 0 177.163 1.602 10 0 ADAERN CCCNC(=S)N1CCC[C@@H]2C[C@@H]21 307320918 1169515500 /nfs/dbraw/zinc/51/55/00/1169515500.db2.gz POYHLUIORFPHJZ-BDAKNGLRSA-N 0 0 198.335 1.755 10 0 ADAERN CO[C@@H](C)CNc1ccc(O)cc1 307321115 1169515610 /nfs/dbraw/zinc/51/56/10/1169515610.db2.gz PXJMMAAKYIDXTE-QMMMGPOBSA-N 0 0 181.235 1.839 10 0 ADAERN C[C@H](CCO)Nc1cc(F)ccn1 307354728 1169516456 /nfs/dbraw/zinc/51/64/56/1169516456.db2.gz STTBNXPVRJIPLR-SSDOTTSWSA-N 0 0 184.214 1.404 10 0 ADAERN CC(C)Cc1ccc(CO)nc1 307375040 1169516659 /nfs/dbraw/zinc/51/66/59/1169516659.db2.gz USNXYWMKTBQONE-UHFFFAOYSA-N 0 0 165.236 1.772 10 0 ADAERN Nc1cncc(Nc2cccnc2)c1 307360016 1169516729 /nfs/dbraw/zinc/51/67/29/1169516729.db2.gz DTZBKIFHBPOKBN-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN O=C(c1ccccc1O)N1CC=CC1 307351174 1169516869 /nfs/dbraw/zinc/51/68/69/1169516869.db2.gz JTLMLVSQPLMZCQ-UHFFFAOYSA-N 0 0 189.214 1.404 10 0 ADAERN Cc1ncc(NC(=O)OC(C)C)cn1 307352403 1169516875 /nfs/dbraw/zinc/51/68/75/1169516875.db2.gz BDNSHUBLOWVTIH-UHFFFAOYSA-N 0 0 195.222 1.742 10 0 ADAERN C=CS(=O)(=O)N1CCCC1(C)C 307356581 1169517046 /nfs/dbraw/zinc/51/70/46/1169517046.db2.gz YYOMOYGYBZSFPY-UHFFFAOYSA-N 0 0 189.280 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/nfs/dbraw/zinc/52/04/13/1169520413.db2.gz VKHGTRMKAUKDJA-UHFFFAOYSA-N 0 0 194.165 1.890 10 0 ADAERN Cc1cc(CNc2cccnc2)on1 307400927 1169520941 /nfs/dbraw/zinc/52/09/41/1169520941.db2.gz HSIDSTXQQGXXPY-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN CCc1cc(CC)nc(N(C)C)n1 307469518 1169523997 /nfs/dbraw/zinc/52/39/97/1169523997.db2.gz UFRBEKXNTSOMFO-UHFFFAOYSA-N 0 0 179.267 1.667 10 0 ADAERN C[C@@H](N[C@@H]1COCC1(C)C)C(F)F 307435045 1169521755 /nfs/dbraw/zinc/52/17/55/1169521755.db2.gz NEGNACJBWYOURQ-RNFRBKRXSA-N 0 0 193.237 1.655 10 0 ADAERN C=CC(=O)N1CCC(C)(OC)CC1 307442807 1169522539 /nfs/dbraw/zinc/52/25/39/1169522539.db2.gz ARMWAQTYGUCKDP-UHFFFAOYSA-N 0 0 183.251 1.200 10 0 ADAERN Cc1ccnc(C)c1NC#N 307438699 1169522640 /nfs/dbraw/zinc/52/26/40/1169522640.db2.gz WEWWUNYRIQZRJX-UHFFFAOYSA-N 0 0 147.181 1.591 10 0 ADAERN C[C@@H](N[C@H]1COCC1(C)C)C(F)F 307435046 1169522651 /nfs/dbraw/zinc/52/26/51/1169522651.db2.gz NEGNACJBWYOURQ-RQJHMYQMSA-N 0 0 193.237 1.655 10 0 ADAERN 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1.288 10 0 ADAERN C=CC(=O)NCCc1ncccc1C 404900144 1169682778 /nfs/dbraw/zinc/68/27/78/1169682778.db2.gz ALHJOANNPYKEKM-UHFFFAOYSA-N 0 0 190.246 1.235 10 0 ADAERN C=CC(=O)N(C)CC(C)(C)OC 404209482 1169682827 /nfs/dbraw/zinc/68/28/27/1169682827.db2.gz FBABKNDEBWMRCU-UHFFFAOYSA-N 0 0 171.240 1.056 10 0 ADAERN CC(=O)CN(C)Cc1cc(C)ns1 404493157 1169682884 /nfs/dbraw/zinc/68/28/84/1169682884.db2.gz XSTBEYXWRGDASP-UHFFFAOYSA-N 0 0 198.291 1.472 10 0 ADAERN C=CC(=O)N1CCCC(F)(F)C1 405071929 1169683488 /nfs/dbraw/zinc/68/34/88/1169683488.db2.gz CCPFWGWDSPULGW-UHFFFAOYSA-N 0 0 175.178 1.430 10 0 ADAERN C=CC(=O)N1CC(C)(C)OC[C@@H]1CC 403771181 1169683606 /nfs/dbraw/zinc/68/36/06/1169683606.db2.gz CTPCURVDYAKBQO-VIFPVBQESA-N 0 0 197.278 1.588 10 0 ADAERN Cn1cnc(-c2ccc(CO)cc2)c1 404799284 1169683734 /nfs/dbraw/zinc/68/37/34/1169683734.db2.gz UQMHBLBACSTFKF-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN Cn1cnc(-c2cccc(CO)c2)c1 404886771 1169683846 /nfs/dbraw/zinc/68/38/46/1169683846.db2.gz FVDPXUMSYDXJBW-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN C=CC(=O)N1CC(C)(C)OC[C@H]1CC 403771176 1169683970 /nfs/dbraw/zinc/68/39/70/1169683970.db2.gz CTPCURVDYAKBQO-SECBINFHSA-N 0 0 197.278 1.588 10 0 ADAERN C[C@H](Oc1ncc(F)cn1)C1CC1 585651141 1169689710 /nfs/dbraw/zinc/68/97/10/1169689710.db2.gz KYYFGKYXDMJLDK-LURJTMIESA-N 0 0 182.198 1.793 10 0 ADAERN CCO[C@@H]1CCCC2(C1)OCCO2 606260423 1169692125 /nfs/dbraw/zinc/69/21/25/1169692125.db2.gz ARAFQFFZVNQSQY-SECBINFHSA-N 0 0 186.251 1.709 10 0 ADAERN CC1(C)CCc2nc(N)ncc2C1=O 575440804 1169687987 /nfs/dbraw/zinc/68/79/87/1169687987.db2.gz GPWDKWPQDNSVSH-UHFFFAOYSA-N 0 0 191.234 1.214 10 0 ADAERN Nc1ccc(C2=CCCCC2)nn1 575476611 1169688027 /nfs/dbraw/zinc/68/80/27/1169688027.db2.gz RZUHVOODLCPOSX-UHFFFAOYSA-N 0 0 175.235 2.016 10 0 ADAERN Cc1nccc(O[C@@H]2CCSC2)n1 585651276 1169689031 /nfs/dbraw/zinc/68/90/31/1169689031.db2.gz BYJVVTZXEDYCOW-MRVPVSSYSA-N 0 0 196.275 1.669 10 0 ADAERN C[C@@H](Oc1ncc(F)cn1)C1CC1 585651142 1169689149 /nfs/dbraw/zinc/68/91/49/1169689149.db2.gz KYYFGKYXDMJLDK-ZCFIWIBFSA-N 0 0 182.198 1.793 10 0 ADAERN Cc1cccc(OC2COC2)n1 585654794 1169689195 /nfs/dbraw/zinc/68/91/95/1169689195.db2.gz LZZMPGFEZDORRD-UHFFFAOYSA-N 0 0 165.192 1.168 10 0 ADAERN c1cc(C2CC2)nnc1OC1COC1 585652495 1169689213 /nfs/dbraw/zinc/68/92/13/1169689213.db2.gz ODXHCMRKFSMANT-UHFFFAOYSA-N 0 0 192.218 1.132 10 0 ADAERN C[C@@H](Oc1ncccn1)C(F)(F)F 585654328 1169689254 /nfs/dbraw/zinc/68/92/54/1169689254.db2.gz QTSROLRFQNBFQC-RXMQYKEDSA-N 0 0 192.140 1.806 10 0 ADAERN CN(C)c1ccnc(OC2CCC2)n1 585650892 1169689267 /nfs/dbraw/zinc/68/92/67/1169689267.db2.gz HGEKTIDGAWUREN-UHFFFAOYSA-N 0 0 193.250 1.474 10 0 ADAERN Cc1ccnc(O[C@H]2CCSC2)n1 585650918 1169689280 /nfs/dbraw/zinc/68/92/80/1169689280.db2.gz HSTQWNRSUNPFAQ-QMMMGPOBSA-N 0 0 196.275 1.669 10 0 ADAERN Cc1ccnc(OC2COC2)c1 585654640 1169689329 /nfs/dbraw/zinc/68/93/29/1169689329.db2.gz KCVOSGGEBUAHNP-UHFFFAOYSA-N 0 0 165.192 1.168 10 0 ADAERN Cc1ccnc(O[C@@H]2CCSC2)n1 585650916 1169689400 /nfs/dbraw/zinc/68/94/00/1169689400.db2.gz HSTQWNRSUNPFAQ-MRVPVSSYSA-N 0 0 196.275 1.669 10 0 ADAERN C[C@H](Oc1ncccn1)C(F)(F)F 585654331 1169689415 /nfs/dbraw/zinc/68/94/15/1169689415.db2.gz QTSROLRFQNBFQC-YFKPBYRVSA-N 0 0 192.140 1.806 10 0 ADAERN Cc1nccc(O[C@H]2CCSC2)n1 585651277 1169689423 /nfs/dbraw/zinc/68/94/23/1169689423.db2.gz BYJVVTZXEDYCOW-QMMMGPOBSA-N 0 0 196.275 1.669 10 0 ADAERN Cc1ccnc(OCC2CCC2)n1 585651176 1169689540 /nfs/dbraw/zinc/68/95/40/1169689540.db2.gz LDZYEGSDBOALNO-UHFFFAOYSA-N 0 0 178.235 1.964 10 0 ADAERN Cc1ccc(OC2CCC2)nn1 585650854 1169689548 /nfs/dbraw/zinc/68/95/48/1169689548.db2.gz GTOYVFIKPAZHRG-UHFFFAOYSA-N 0 0 164.208 1.716 10 0 ADAERN c1cc(COc2cnccn2)ccn1 585655188 1169689556 /nfs/dbraw/zinc/68/95/56/1169689556.db2.gz WEAKZKVPMOTEGQ-UHFFFAOYSA-N 0 0 187.202 1.451 10 0 ADAERN CC(C)c1nccc(OC2COC2)n1 585652471 1169689563 /nfs/dbraw/zinc/68/95/63/1169689563.db2.gz NPBXAUBPVLJKGL-UHFFFAOYSA-N 0 0 194.234 1.378 10 0 ADAERN Clc1cccnc1OC1COC1 585654376 1169689608 /nfs/dbraw/zinc/68/96/08/1169689608.db2.gz HNBAEXIRHKAYDH-UHFFFAOYSA-N 0 0 185.610 1.513 10 0 ADAERN Cc1ccc(OCC2CC2)nn1 585651097 1169689617 /nfs/dbraw/zinc/68/96/17/1169689617.db2.gz KGQYETRSZTVALQ-UHFFFAOYSA-N 0 0 164.208 1.574 10 0 ADAERN Cc1nccc(OC2CCC2)n1 585651227 1169689648 /nfs/dbraw/zinc/68/96/48/1169689648.db2.gz BIPXRNJIBZBKCK-UHFFFAOYSA-N 0 0 164.208 1.716 10 0 ADAERN c1cnc(OCc2ccncc2)nc1 585651343 1169689665 /nfs/dbraw/zinc/68/96/65/1169689665.db2.gz NVIQUDNPPOYHAD-UHFFFAOYSA-N 0 0 187.202 1.451 10 0 ADAERN Cc1nccnc1OC[C@@H]1CCCO1 585651398 1169689671 /nfs/dbraw/zinc/68/96/71/1169689671.db2.gz LNPVNXMZGVTVIT-VIFPVBQESA-N 0 0 194.234 1.343 10 0 ADAERN Cc1nccnc1OC1CCC1 585651178 1169689735 /nfs/dbraw/zinc/68/97/35/1169689735.db2.gz LFSXKANLOVMJGH-UHFFFAOYSA-N 0 0 164.208 1.716 10 0 ADAERN Cc1nccnc1OC[C@H]1CCCO1 585651397 1169689768 /nfs/dbraw/zinc/68/97/68/1169689768.db2.gz LNPVNXMZGVTVIT-SECBINFHSA-N 0 0 194.234 1.343 10 0 ADAERN Clc1cnc(OCC2CC2)nc1 585651011 1169689777 /nfs/dbraw/zinc/68/97/77/1169689777.db2.gz IKPNJWUAENXTPH-UHFFFAOYSA-N 0 0 184.626 1.919 10 0 ADAERN CCCC(=O)Nc1ccsn1 606251256 1169690204 /nfs/dbraw/zinc/69/02/04/1169690204.db2.gz YOOIUSFOVYBHQO-UHFFFAOYSA-N 0 0 170.237 1.882 10 0 ADAERN O=C(Nc1ccsn1)C1CC1 606250746 1169690341 /nfs/dbraw/zinc/69/03/41/1169690341.db2.gz DVAYJEWHTWDMEP-UHFFFAOYSA-N 0 0 168.221 1.492 10 0 ADAERN CC(=O)Nc1cnn(C)c1Cl 606253094 1169690395 /nfs/dbraw/zinc/69/03/95/1169690395.db2.gz XYTMBZJZOAYAEG-UHFFFAOYSA-N 0 0 173.603 1.032 10 0 ADAERN CNC(=O)c1cscc1Cl 606253499 1169690458 /nfs/dbraw/zinc/69/04/58/1169690458.db2.gz QVAGMRXFCQIYCH-UHFFFAOYSA-N 0 0 175.640 1.761 10 0 ADAERN CC(C)C(=O)Nc1ccns1 606250780 1169690503 /nfs/dbraw/zinc/69/05/03/1169690503.db2.gz BYGLRRBYPSMNSU-UHFFFAOYSA-N 0 0 170.237 1.738 10 0 ADAERN CC(C)C(=O)Nc1ccsn1 606250799 1169690621 /nfs/dbraw/zinc/69/06/21/1169690621.db2.gz CHYAXWCQBHWBBR-UHFFFAOYSA-N 0 0 170.237 1.738 10 0 ADAERN C=CC(=O)N1CC(C)(C)C1(C)C 606250291 1169690637 /nfs/dbraw/zinc/69/06/37/1169690637.db2.gz AMFSAPRXGNRNCQ-UHFFFAOYSA-N 0 0 167.252 1.819 10 0 ADAERN O=C(Nc1ccns1)C1CC1 606250795 1169690725 /nfs/dbraw/zinc/69/07/25/1169690725.db2.gz HFDNMMSQSPKFKL-UHFFFAOYSA-N 0 0 168.221 1.492 10 0 ADAERN Cn1cnc(-c2cscn2)c1 606249864 1169690793 /nfs/dbraw/zinc/69/07/93/1169690793.db2.gz UGXGVFFIKWVJPE-UHFFFAOYSA-N 0 0 165.221 1.544 10 0 ADAERN CCCC(=O)Nc1ccns1 606251070 1169690907 /nfs/dbraw/zinc/69/09/07/1169690907.db2.gz OZYLXBQSZKHXAX-UHFFFAOYSA-N 0 0 170.237 1.882 10 0 ADAERN CN(C)Cc1ncccc1Cl 606251607 1169690917 /nfs/dbraw/zinc/69/09/17/1169690917.db2.gz WOWNZTJVKRLARV-UHFFFAOYSA-N 0 0 170.643 1.797 10 0 ADAERN Oc1c(F)cccc1-c1cncnc1 606262016 1169691646 /nfs/dbraw/zinc/69/16/46/1169691646.db2.gz MXTCRGDTPUBYCW-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Cn1cncc1-c1cc(F)ccc1O 606263499 1169691661 /nfs/dbraw/zinc/69/16/61/1169691661.db2.gz SFJHYRFUWYXONJ-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN Cn1cncc1-c1ccc(N)c(F)c1 606262851 1169691759 /nfs/dbraw/zinc/69/17/59/1169691759.db2.gz HNYQLUSITITIBI-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cn1cncc1-c1cc(F)ccc1N 606263052 1169691818 /nfs/dbraw/zinc/69/18/18/1169691818.db2.gz UNWMVHOQJBURCG-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cn1cc(Nc2ccncc2F)cn1 606263521 1169691840 /nfs/dbraw/zinc/69/18/40/1169691840.db2.gz XSUSHJLKDPLJCG-UHFFFAOYSA-N 0 0 192.197 1.120 10 0 ADAERN Nc1cnc(-c2cncc(F)c2)nc1 606262017 1169691861 /nfs/dbraw/zinc/69/18/61/1169691861.db2.gz MYULYCAFDVPRJN-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN CNC(=S)N1CCC2(CC1)CC2 606260108 1169691919 /nfs/dbraw/zinc/69/19/19/1169691919.db2.gz UOJVJHPWBHQKRU-UHFFFAOYSA-N 0 0 184.308 1.367 10 0 ADAERN Cc1c[nH]c(CNc2cccnc2)n1 606261228 1169691938 /nfs/dbraw/zinc/69/19/38/1169691938.db2.gz KHJCJRDRAJIHLS-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN CCO[C@H]1CCCC2(C1)OCCO2 606260424 1169692006 /nfs/dbraw/zinc/69/20/06/1169692006.db2.gz ARAFQFFZVNQSQY-VIFPVBQESA-N 0 0 186.251 1.709 10 0 ADAERN Cn1cc(-c2cccc(N)c2F)cn1 606263057 1169692037 /nfs/dbraw/zinc/69/20/37/1169692037.db2.gz VVAAPXTUTXFQHG-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cc1cc(-c2ncc(N)cn2)ccn1 606260620 1169692049 /nfs/dbraw/zinc/69/20/49/1169692049.db2.gz ZTIVLXSPQMGBHQ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCNc1nccc2nccnc12 606260693 1169692064 /nfs/dbraw/zinc/69/20/64/1169692064.db2.gz FEHDPLYCLIAOTJ-UHFFFAOYSA-N 0 0 188.234 1.847 10 0 ADAERN Cc1cc(-c2cccnc2N)n(C)n1 606261224 1169692109 /nfs/dbraw/zinc/69/21/09/1169692109.db2.gz IPEPFFVGBZYLNX-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCC(=O)Nc1cnn(C)c1Cl 606260253 1169692193 /nfs/dbraw/zinc/69/21/93/1169692193.db2.gz GPHXHUPRKKPWOF-UHFFFAOYSA-N 0 0 187.630 1.422 10 0 ADAERN CNC(=S)N1CCC12CCCC2 606259813 1169692211 /nfs/dbraw/zinc/69/22/11/1169692211.db2.gz NTHKROOWFWDGAM-UHFFFAOYSA-N 0 0 184.308 1.509 10 0 ADAERN CC(C)(C)NC(=O)NC1CSC1 606261661 1169692345 /nfs/dbraw/zinc/69/23/45/1169692345.db2.gz MCDGQSFOYYUUHN-UHFFFAOYSA-N 0 0 188.296 1.200 10 0 ADAERN COC(=O)Nc1cncc(Cl)c1 606259714 1169692445 /nfs/dbraw/zinc/69/24/45/1169692445.db2.gz LJAPEJNFHQDIKV-UHFFFAOYSA-N 0 0 186.598 1.913 10 0 ADAERN O=C(NC1CC1)N1CCC12CCCC2 606269086 1169693042 /nfs/dbraw/zinc/69/30/42/1169693042.db2.gz UMBPJPLNZPOZHX-UHFFFAOYSA-N 0 0 194.278 1.877 10 0 ADAERN Cn1cc(NCc2cnsc2)cn1 606269079 1169693116 /nfs/dbraw/zinc/69/31/16/1169693116.db2.gz TTZJHCQZSOUBFM-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN CC(C)=CC(=O)Nc1nnn(C)c1C 606267615 1169693447 /nfs/dbraw/zinc/69/34/47/1169693447.db2.gz XTNOKECMIWVKBX-UHFFFAOYSA-N 0 0 194.238 1.028 10 0 ADAERN Cc1cc(N2CCCCC2)nc(F)n1 606269713 1169693558 /nfs/dbraw/zinc/69/35/58/1169693558.db2.gz ROHVWUIXWPBWHB-UHFFFAOYSA-N 0 0 195.241 1.914 10 0 ADAERN CCNC(=O)Nc1cc(C)cc(O)c1 606267450 1169693565 /nfs/dbraw/zinc/69/35/65/1169693565.db2.gz QJBJOZRSJCHSMI-UHFFFAOYSA-N 0 0 194.234 1.842 10 0 ADAERN Nc1ccnn1-c1ccncc1Cl 606268446 1169693570 /nfs/dbraw/zinc/69/35/70/1169693570.db2.gz IXIWBSGHGJJRRV-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN O=C(Nc1ccsn1)c1ccco1 606267279 1169693689 /nfs/dbraw/zinc/69/36/89/1169693689.db2.gz ICYINBQEKWICEX-UHFFFAOYSA-N 0 0 194.215 1.988 10 0 ADAERN CNC(=S)N1CCC12CCCCC2 606274408 1169694228 /nfs/dbraw/zinc/69/42/28/1169694228.db2.gz AUINUNOCUHALHS-UHFFFAOYSA-N 0 0 198.335 1.899 10 0 ADAERN CCNC(=O)Nc1c(O)cccc1F 606273385 1169694322 /nfs/dbraw/zinc/69/43/22/1169694322.db2.gz VPUXFWZMFPNZHX-UHFFFAOYSA-N 0 0 198.197 1.673 10 0 ADAERN C/C=C/C(=O)Nc1cnn(C)c1Cl 606271972 1169694332 /nfs/dbraw/zinc/69/43/32/1169694332.db2.gz AMHOAVCXPMFDGP-ONEGZZNKSA-N 0 0 199.641 1.588 10 0 ADAERN COC1CCC(N2CCC(=O)C2)CC1 606271837 1169694421 /nfs/dbraw/zinc/69/44/21/1169694421.db2.gz BLMNSGBAJYNQLS-UHFFFAOYSA-N 0 0 197.278 1.219 10 0 ADAERN C/C=C\C(=O)Nc1cnn(C)c1Cl 606271951 1169694477 /nfs/dbraw/zinc/69/44/77/1169694477.db2.gz AMHOAVCXPMFDGP-ARJAWSKDSA-N 0 0 199.641 1.588 10 0 ADAERN C[C@@H]1CCN1C(=S)NC1CCCC1 606274773 1169694589 /nfs/dbraw/zinc/69/45/89/1169694589.db2.gz NVCKZQWYOUXHHA-MRVPVSSYSA-N 0 0 198.335 1.898 10 0 ADAERN Cn1ncc(NC(=O)C2CC2)c1Cl 606272728 1169694595 /nfs/dbraw/zinc/69/45/95/1169694595.db2.gz OSSVHEZTAZWSJV-UHFFFAOYSA-N 0 0 199.641 1.422 10 0 ADAERN CC(C)=CC(=O)N1CC[C@@H](O)C[C@H]1C 606271876 1169694886 /nfs/dbraw/zinc/69/48/86/1169694886.db2.gz HCWPVVJARLVAFE-NXEZZACHSA-N 0 0 197.278 1.324 10 0 ADAERN CCNC(=S)N1CCC12CCCC2 606274525 1169694944 /nfs/dbraw/zinc/69/49/44/1169694944.db2.gz IGOCPPZDIZNGPE-UHFFFAOYSA-N 0 0 198.335 1.899 10 0 ADAERN O=C1CCCN(C[C@@H]2CCCOC2)C1 606272571 1169694966 /nfs/dbraw/zinc/69/49/66/1169694966.db2.gz PYJGUHUBUAMMHU-JTQLQIEISA-N 0 0 197.278 1.078 10 0 ADAERN C[C@H]1CCN1C(=S)NC1CCCC1 606274774 1169695183 /nfs/dbraw/zinc/69/51/83/1169695183.db2.gz NVCKZQWYOUXHHA-QMMMGPOBSA-N 0 0 198.335 1.898 10 0 ADAERN CCNC(=S)N1CCC2(CC1)CC2 606274743 1169695222 /nfs/dbraw/zinc/69/52/22/1169695222.db2.gz LAOYGBXNEQVWCI-UHFFFAOYSA-N 0 0 198.335 1.757 10 0 ADAERN 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FUZJDEFWRVLLRH-MRVPVSSYSA-N 0 0 172.224 1.507 10 0 ADAERN CCC[C@H](O)CN1C[C@H](F)[C@H](F)C1 714654952 1169735961 /nfs/dbraw/zinc/73/59/61/1169735961.db2.gz JWZFQNYHVQRYFB-XHNCKOQMSA-N 0 0 193.237 1.139 10 0 ADAERN OCCCCCN1C[C@@H](F)[C@H](F)C1 714678158 1169736057 /nfs/dbraw/zinc/73/60/57/1169736057.db2.gz QSBPATQMYIGXCF-RKDXNWHRSA-N 0 0 193.237 1.141 10 0 ADAERN Cn1ccc(-c2ccc(=S)[nH]n2)n1 714779646 1169736078 /nfs/dbraw/zinc/73/60/78/1169736078.db2.gz CZLKHWDGFXYGMA-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN CCCOCCNc1ccccn1 715026562 1169736109 /nfs/dbraw/zinc/73/61/09/1169736109.db2.gz BNDAHSPHGKDSKJ-UHFFFAOYSA-N 0 0 180.251 1.920 10 0 ADAERN Cc1ncccc1-c1cnc(N)cn1 715171973 1169736122 /nfs/dbraw/zinc/73/61/22/1169736122.db2.gz KOGYXQZJOFVTDA-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCOCCNc1ncc(C)cn1 715035433 1169736148 /nfs/dbraw/zinc/73/61/48/1169736148.db2.gz WHXBCZLYUPUHES-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN CCCOCCNc1ccnc(C)n1 715033696 1169736326 /nfs/dbraw/zinc/73/63/26/1169736326.db2.gz JBCNFXZMLNLGTP-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN CCCOCCNc1ccncc1F 715057508 1169736557 /nfs/dbraw/zinc/73/65/57/1169736557.db2.gz ZGRRPNMXHGRADI-UHFFFAOYSA-N 0 0 198.241 1.481 10 0 ADAERN CCCOCCNc1cc(C)ncn1 715035920 1169736707 /nfs/dbraw/zinc/73/67/07/1169736707.db2.gz ZQNACFFFXBBRDK-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN CCCOCCNc1cnccn1 715026679 1169736761 /nfs/dbraw/zinc/73/67/61/1169736761.db2.gz FIEGMEGHSQSUMN-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CCCOCCNc1ncc(F)cn1 715032678 1169736882 /nfs/dbraw/zinc/73/68/82/1169736882.db2.gz DAKBIDALDSGLTN-UHFFFAOYSA-N 0 0 199.229 1.454 10 0 ADAERN CCCOCCNc1ccncn1 715026824 1169736894 /nfs/dbraw/zinc/73/68/94/1169736894.db2.gz JTBLAOJCYVVCKK-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CCCOCCNC(=O)c1ccco1 714975302 1169737003 /nfs/dbraw/zinc/73/70/03/1169737003.db2.gz RFSJQYIJJMPEMY-UHFFFAOYSA-N 0 0 197.234 1.436 10 0 ADAERN Nc1ccc(N2C[C@@H](F)[C@H](F)C2)nc1 714707658 1169737149 /nfs/dbraw/zinc/73/71/49/1169737149.db2.gz LFGSFPSLLKSQEV-HTQZYQBOSA-N 0 0 199.204 1.160 10 0 ADAERN Cc1ncccc1-c1cc(N)ncn1 715172409 1169737281 /nfs/dbraw/zinc/73/72/81/1169737281.db2.gz MYJDHMDUCOMKAG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCOCCNC(=O)OCCC 714964175 1169737289 /nfs/dbraw/zinc/73/72/89/1169737289.db2.gz UJLDLUOPUQAKQR-UHFFFAOYSA-N 0 0 189.255 1.549 10 0 ADAERN Nc1cccnc1N1C[C@@H](F)[C@H](F)C1 714708393 1169737324 /nfs/dbraw/zinc/73/73/24/1169737324.db2.gz SRBFQDMIRBNVFD-RNFRBKRXSA-N 0 0 199.204 1.160 10 0 ADAERN CCCOCCNc1ccc(N)cn1 714957636 1169737338 /nfs/dbraw/zinc/73/73/38/1169737338.db2.gz QYYZPMJCXQOPOV-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN CCC[C@@H](O)CN1C[C@H](F)[C@H](F)C1 714654949 1169737359 /nfs/dbraw/zinc/73/73/59/1169737359.db2.gz JWZFQNYHVQRYFB-HLTSFMKQSA-N 0 0 193.237 1.139 10 0 ADAERN CCCOC(=O)N1C[C@@H](F)[C@H](F)C1 714702813 1169737452 /nfs/dbraw/zinc/73/74/52/1169737452.db2.gz ZNXAFUASARJLKY-RNFRBKRXSA-N 0 0 193.193 1.525 10 0 ADAERN Cn1ccc(-c2cccc(=O)[nH]2)n1 714780847 1169737540 /nfs/dbraw/zinc/73/75/40/1169737540.db2.gz WUWDKJWULJHNTB-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN CCCOCCNc1cc(C)cnn1 715033183 1169737615 /nfs/dbraw/zinc/73/76/15/1169737615.db2.gz GPCMOFSVRWSLBQ-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN CCCOCCNc1ccc(N)nc1 714958169 1169737840 /nfs/dbraw/zinc/73/78/40/1169737840.db2.gz VFWOKUULKKPKBZ-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN Cc1ncccc1-c1cnc(F)nc1 715213389 1169737879 /nfs/dbraw/zinc/73/78/79/1169737879.db2.gz UWIXJNVWICIINL-UHFFFAOYSA-N 0 0 189.193 1.986 10 0 ADAERN CCCOCCNc1nccc(C)n1 715033703 1169737951 /nfs/dbraw/zinc/73/79/51/1169737951.db2.gz JFUCFCPUPNZRSG-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN Cc1ncccc1-c1ccc(N)nn1 715172937 1169737963 /nfs/dbraw/zinc/73/79/63/1169737963.db2.gz RROMCHSSAKCJOH-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCOCCNc1cccnn1 715026635 1169737988 /nfs/dbraw/zinc/73/79/88/1169737988.db2.gz DKHLUPKZSFVLBS-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CCCOCCNc1ncccc1N 714957785 1169738307 /nfs/dbraw/zinc/73/83/07/1169738307.db2.gz SOSXJPMKZHKUCC-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN CCCOCCNC(=O)NC(C)C 714996566 1169738355 /nfs/dbraw/zinc/73/83/55/1169738355.db2.gz RHEAEFWYCFJSGP-UHFFFAOYSA-N 0 0 188.271 1.121 10 0 ADAERN CCCOCCNc1ncccn1 715026678 1169738384 /nfs/dbraw/zinc/73/83/84/1169738384.db2.gz FHXJGLQDNKUBDH-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CCC[C@H](O)CN1C[C@@H](F)[C@H](F)C1 714654946 1169738433 /nfs/dbraw/zinc/73/84/33/1169738433.db2.gz JWZFQNYHVQRYFB-DJLDLDEBSA-N 0 0 193.237 1.139 10 0 ADAERN OCCCCCN1C[C@H](F)[C@H](F)C1 714678151 1169738609 /nfs/dbraw/zinc/73/86/09/1169738609.db2.gz QSBPATQMYIGXCF-DTORHVGOSA-N 0 0 193.237 1.141 10 0 ADAERN CCCOCCNC(=O)OC(C)C 714995774 1169738870 /nfs/dbraw/zinc/73/88/70/1169738870.db2.gz LNTFCFPFAHYFNI-UHFFFAOYSA-N 0 0 189.255 1.548 10 0 ADAERN Cc1ncccc1-n1cc(N)cn1 715228631 1169738932 /nfs/dbraw/zinc/73/89/32/1169738932.db2.gz RGKNACJIWTZWCA-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCCOCCNc1cncc(N)c1 715020593 1169739007 /nfs/dbraw/zinc/73/90/07/1169739007.db2.gz WZTDRLVELDUEEH-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN CCCNC(=O)N[C@H]1CCCC(=O)C1 715691657 1169739367 /nfs/dbraw/zinc/73/93/67/1169739367.db2.gz FBKPBQAYGUUOCK-QMMMGPOBSA-N 0 0 198.266 1.207 10 0 ADAERN Oc1ccc(-c2ncccn2)c(F)c1 715767401 1169739392 /nfs/dbraw/zinc/73/93/92/1169739392.db2.gz CEIFOXCXARCYFG-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Oc1cc(F)cc(-c2ncccn2)c1 715767735 1169739419 /nfs/dbraw/zinc/73/94/19/1169739419.db2.gz DMQCTVNKKBBZJY-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Cc1ccnc(-c2cccnc2N)n1 715739826 1169739455 /nfs/dbraw/zinc/73/94/55/1169739455.db2.gz ZYGJUCIWAJZSTD-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(C)OC(=O)N[C@@H]1CCCC(=O)C1 715693304 1169739505 /nfs/dbraw/zinc/73/95/05/1169739505.db2.gz MAAJCRSJBQYTGW-MRVPVSSYSA-N 0 0 199.250 1.633 10 0 ADAERN Cc1ccnc(-c2cncc(O)c2)n1 715769641 1169739527 /nfs/dbraw/zinc/73/95/27/1169739527.db2.gz FUQMQNPHKNLOHY-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1cc(C)nc(-c2cnn(C)c2)n1 715432460 1169739534 /nfs/dbraw/zinc/73/95/34/1169739534.db2.gz APEMLSBIBMFVIN-UHFFFAOYSA-N 0 0 188.234 1.494 10 0 ADAERN Cc1cc(C)nc(-c2ccn(C)n2)n1 715440179 1169739558 /nfs/dbraw/zinc/73/95/58/1169739558.db2.gz FGKQJOUPMMFTLQ-UHFFFAOYSA-N 0 0 188.234 1.494 10 0 ADAERN CCCOC(=O)N[C@H]1CCCC(=O)C1 715692512 1169739584 /nfs/dbraw/zinc/73/95/84/1169739584.db2.gz HJQHKDHANDJMDL-QMMMGPOBSA-N 0 0 199.250 1.634 10 0 ADAERN CCCNC(=O)N[C@@H]1CCCC(=O)C1 715691656 1169739589 /nfs/dbraw/zinc/73/95/89/1169739589.db2.gz FBKPBQAYGUUOCK-MRVPVSSYSA-N 0 0 198.266 1.207 10 0 ADAERN Cc1cc(-c2ncccn2)cnc1N 715726191 1169739627 /nfs/dbraw/zinc/73/96/27/1169739627.db2.gz SWPIFMYEPFQPJW-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccnc(-c2cncc(N)c2)n1 715739289 1169739690 /nfs/dbraw/zinc/73/96/90/1169739690.db2.gz YAUVXLIXUTXULC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCNC(=O)N[C@@H]1CCCCC1=O 716054607 1169739720 /nfs/dbraw/zinc/73/97/20/1169739720.db2.gz JRICEWAVKAEHCY-MRVPVSSYSA-N 0 0 198.266 1.207 10 0 ADAERN Cc1cnc(-c2cncc(O)c2)nc1 715550666 1169739731 /nfs/dbraw/zinc/73/97/31/1169739731.db2.gz SISHKIIIKWAMDS-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CCCC(=O)C1 715694249 1169739743 /nfs/dbraw/zinc/73/97/43/1169739743.db2.gz PBEPPDWCSYWAAT-MRVPVSSYSA-N 0 0 198.266 1.206 10 0 ADAERN CC(C)OC(=O)N[C@@H]1CCCCC1=O 716057528 1169739761 /nfs/dbraw/zinc/73/97/61/1169739761.db2.gz RBGAKDCNPIPMLV-MRVPVSSYSA-N 0 0 199.250 1.633 10 0 ADAERN CC(C)NC(=O)N[C@H]1CCCCC1=O 716060604 1169739795 /nfs/dbraw/zinc/73/97/95/1169739795.db2.gz XWYXCKDBWRBEDR-QMMMGPOBSA-N 0 0 198.266 1.206 10 0 ADAERN Nc1ncc(-c2ncccn2)cc1F 715762455 1169739927 /nfs/dbraw/zinc/73/99/27/1169739927.db2.gz WOPYLPYELCDQTK-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN CCCOC(=O)N[C@@H]1CCCCC1=O 716054573 1169740026 /nfs/dbraw/zinc/74/00/26/1169740026.db2.gz JFEJKKYNFGPTRR-MRVPVSSYSA-N 0 0 199.250 1.634 10 0 ADAERN Cc1cc(C)nc(-c2cncn2C)n1 715438544 1169740139 /nfs/dbraw/zinc/74/01/39/1169740139.db2.gz QTVKXGNKQWIOJC-UHFFFAOYSA-N 0 0 188.234 1.494 10 0 ADAERN Cc1cnc(-c2ccc(N)nc2)nc1 715708187 1169740258 /nfs/dbraw/zinc/74/02/58/1169740258.db2.gz MPLQXCJEWLXKRW-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCNC(=O)N[C@H]1CCCCC1=O 716054610 1169740268 /nfs/dbraw/zinc/74/02/68/1169740268.db2.gz JRICEWAVKAEHCY-QMMMGPOBSA-N 0 0 198.266 1.207 10 0 ADAERN Cc1ccc(-n2cc(N)cn2)cn1 715352109 1169740315 /nfs/dbraw/zinc/74/03/15/1169740315.db2.gz GYWKJIOLTFZAEG-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cc(C)nc(-c2cncnc2)n1 715419651 1169740324 /nfs/dbraw/zinc/74/03/24/1169740324.db2.gz YQKATVMEJLJDKC-UHFFFAOYSA-N 0 0 186.218 1.550 10 0 ADAERN CC(C)OC(=O)N[C@H]1CCCCC1=O 716057533 1169740404 /nfs/dbraw/zinc/74/04/04/1169740404.db2.gz RBGAKDCNPIPMLV-QMMMGPOBSA-N 0 0 199.250 1.633 10 0 ADAERN Nc1ccc(-c2ncccn2)c(F)c1 715726879 1169740422 /nfs/dbraw/zinc/74/04/22/1169740422.db2.gz VRAKXYWLQXZPOJ-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Cc1cnc(-c2cncc(N)c2)nc1 715649681 1169740463 /nfs/dbraw/zinc/74/04/63/1169740463.db2.gz RZBCTRXFWXWXLB-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1ccc(F)cc1-c1ncccn1 715726213 1169740575 /nfs/dbraw/zinc/74/05/75/1169740575.db2.gz UAQWGVIXFDRWBX-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CCCCC1=O 716060601 1169740597 /nfs/dbraw/zinc/74/05/97/1169740597.db2.gz XWYXCKDBWRBEDR-MRVPVSSYSA-N 0 0 198.266 1.206 10 0 ADAERN Cc1ccnc(-c2ccnc(N)c2)n1 715737415 1169740645 /nfs/dbraw/zinc/74/06/45/1169740645.db2.gz MVTBSYKMCMNNEF-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN O=c1cccc(-c2ncccn2)[nH]1 715738928 1169740704 /nfs/dbraw/zinc/74/07/04/1169740704.db2.gz QDFMTARAPLKMMI-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Cc1cnc(-c2cccnc2N)nc1 715710080 1169740726 /nfs/dbraw/zinc/74/07/26/1169740726.db2.gz XJXJWWPJRCEEHU-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCOC(=O)N[C@@H]1CCCC(=O)C1 715692511 1169740803 /nfs/dbraw/zinc/74/08/03/1169740803.db2.gz HJQHKDHANDJMDL-MRVPVSSYSA-N 0 0 199.250 1.634 10 0 ADAERN Cc1cnc(-c2ccnc(N)c2)nc1 715707966 1169740915 /nfs/dbraw/zinc/74/09/15/1169740915.db2.gz KVNOBVOVXLJANA-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(=O)c1ccc(-c2ncccn2)cn1 715718007 1169740991 /nfs/dbraw/zinc/74/09/91/1169740991.db2.gz FHPUREZCJSLHHO-UHFFFAOYSA-N 0 0 199.213 1.741 10 0 ADAERN CC(C)OC(=O)N[C@H]1CCCC(=O)C1 715693307 1169741035 /nfs/dbraw/zinc/74/10/35/1169741035.db2.gz MAAJCRSJBQYTGW-QMMMGPOBSA-N 0 0 199.250 1.633 10 0 ADAERN Nc1cc(-c2ncccn2)ccn1 715719251 1169741092 /nfs/dbraw/zinc/74/10/92/1169741092.db2.gz REXXRIICLLEYDJ-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Cc1cnc(-c2cccc(=O)[nH]2)nc1 715706726 1169741272 /nfs/dbraw/zinc/74/12/72/1169741272.db2.gz FMWBMWSWDBLGSU-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Oc1cncc(-c2ncccn2)c1 715768769 1169741175 /nfs/dbraw/zinc/74/11/75/1169741175.db2.gz KTMZNZBFNASDBL-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Cc1ccnc(-c2cccc(=O)[nH]2)n1 715754294 1169741290 /nfs/dbraw/zinc/74/12/90/1169741290.db2.gz RSWBUMXBHGOQKU-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN CCCOC(=O)N[C@H]1CCCCC1=O 716054574 1169741309 /nfs/dbraw/zinc/74/13/09/1169741309.db2.gz JFEJKKYNFGPTRR-QMMMGPOBSA-N 0 0 199.250 1.634 10 0 ADAERN Oc1ccc(-c2ncccn2)cc1F 715766984 1169741329 /nfs/dbraw/zinc/74/13/29/1169741329.db2.gz AITIIOBSAQXOKE-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN CC(C)NC(=O)N[C@H]1CCCC(=O)C1 715694252 1169741379 /nfs/dbraw/zinc/74/13/79/1169741379.db2.gz PBEPPDWCSYWAAT-QMMMGPOBSA-N 0 0 198.266 1.206 10 0 ADAERN CC(C)(C)NC(=O)N[C@@H]1C[C@@H]1C1CC1 717102237 1169741749 /nfs/dbraw/zinc/74/17/49/1169741749.db2.gz GRLUFJBTSIFDSG-RKDXNWHRSA-N 0 0 196.294 1.883 10 0 ADAERN CCCCNC(=O)N[C@@H]1C[C@@H]1C1CC1 717103062 1169742074 /nfs/dbraw/zinc/74/20/74/1169742074.db2.gz JAPZDLPMAWLTPQ-NXEZZACHSA-N 0 0 196.294 1.884 10 0 ADAERN CC[C@@H](C[C@@H](C)O)Nc1nc(C)no1 716849965 1169742098 /nfs/dbraw/zinc/74/20/98/1169742098.db2.gz WPWVHRPPRFWPQC-SVRRBLITSA-N 0 0 199.254 1.339 10 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/nfs/dbraw/zinc/96/92/09/1169969209.db2.gz FGASQNSHUBWGHZ-UHFFFAOYSA-N 0 0 198.266 1.847 10 0 ADAERN C[C@H]1C[C@@H]1c1nnco1 1256609534 1169970413 /nfs/dbraw/zinc/97/04/13/1169970413.db2.gz MGNFWVOSWYWUAH-WHFBIAKZSA-N 0 0 124.143 1.193 10 0 ADAERN C[C@H]1C[C@H]1c1nnco1 1256609520 1169970608 /nfs/dbraw/zinc/97/06/08/1169970608.db2.gz MGNFWVOSWYWUAH-CRCLSJGQSA-N 0 0 124.143 1.193 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnco1 1256609533 1169970824 /nfs/dbraw/zinc/97/08/24/1169970824.db2.gz MGNFWVOSWYWUAH-UHNVWZDZSA-N 0 0 124.143 1.193 10 0 ADAERN C[C@@H]1C[C@H]1c1nnco1 1256609532 1169972286 /nfs/dbraw/zinc/97/22/86/1169972286.db2.gz MGNFWVOSWYWUAH-RFZPGFLSSA-N 0 0 124.143 1.193 10 0 ADAERN C[C@H](Cc1ccncc1)NC#N 1256722971 1169973037 /nfs/dbraw/zinc/97/30/37/1169973037.db2.gz MSHSKLFTTKXIQW-MRVPVSSYSA-N 0 0 161.208 1.083 10 0 ADAERN C[C@@H](Cc1ccncc1)NC#N 1256722972 1169973149 /nfs/dbraw/zinc/97/31/49/1169973149.db2.gz MSHSKLFTTKXIQW-QMMMGPOBSA-N 0 0 161.208 1.083 10 0 ADAERN C[C@H]1C[C@H]([N@H+](C)CCF)C[C@@H](C)O1 1257100627 1169978254 /nfs/dbraw/zinc/97/82/54/1169978254.db2.gz DAAFXJYVORSMPG-ILWJIGKKSA-N 0 0 189.274 1.844 10 0 ADAERN CCC(CC)[N@@H+]1C[C@H](F)[C@@H](OC)C1 1257294842 1169991504 /nfs/dbraw/zinc/99/15/04/1169991504.db2.gz SKLJQUHHGXCGIK-UWVGGRQHSA-N 0 0 189.274 1.844 10 0 ADAERN CCC(CC)N1CCCO1 1257294913 1169991916 /nfs/dbraw/zinc/99/19/16/1169991916.db2.gz SXLGSSTWEOAVKA-UHFFFAOYSA-N 0 0 143.230 1.812 10 0 ADAERN CCC(CC)N1CC(F)C1 1257293855 1169991966 /nfs/dbraw/zinc/99/19/66/1169991966.db2.gz DDEWTIAFHPXISE-UHFFFAOYSA-N 0 0 145.221 1.829 10 0 ADAERN CCC(CC)[N@@H+]1C[C@H](F)[C@H](OC)C1 1257294843 1169992830 /nfs/dbraw/zinc/99/28/30/1169992830.db2.gz SKLJQUHHGXCGIK-VHSXEESVSA-N 0 0 189.274 1.844 10 0 ADAERN COCCCn1cc(Cl)c(N)n1 69759566 566259695 /nfs/dbraw/zinc/25/96/95/566259695.db2.gz LBFDUKZGLWFWLY-UHFFFAOYSA-N 0 0 189.646 1.155 10 0 ADAERN CCCC[C@@H](CC)S(N)(=O)=O 68989451 566260026 /nfs/dbraw/zinc/26/00/26/566260026.db2.gz QSFMGLFKZZCCHK-SSDOTTSWSA-N 0 0 179.285 1.244 10 0 ADAERN Nc1nn(Cc2cnoc2)cc1Cl 69759669 566260302 /nfs/dbraw/zinc/26/03/02/566260302.db2.gz MWRNFDDGFQEUGG-UHFFFAOYSA-N 0 0 198.613 1.155 10 0 ADAERN COC(=O)c1cc(N)cn1CC1CC1 70264454 566260315 /nfs/dbraw/zinc/26/03/15/566260315.db2.gz PZWXSALTMQQWLF-UHFFFAOYSA-N 0 0 194.234 1.267 10 0 ADAERN Cn1ccnc1-c1cccc(N)n1 69027493 566260465 /nfs/dbraw/zinc/26/04/65/566260465.db2.gz KVLNLOJFPBXVMP-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCCCCn1cc(C)c(N)n1 70218352 566260587 /nfs/dbraw/zinc/26/05/87/566260587.db2.gz IMBDIJVEQGPUCR-UHFFFAOYSA-N 0 0 167.256 1.964 10 0 ADAERN CCCC[C@H](CC)S(N)(=O)=O 68989454 566260607 /nfs/dbraw/zinc/26/06/07/566260607.db2.gz QSFMGLFKZZCCHK-ZETCQYMHSA-N 0 0 179.285 1.244 10 0 ADAERN CCn1ccnc1-c1cccc(N)n1 69030563 566260721 /nfs/dbraw/zinc/26/07/21/566260721.db2.gz XEIBUAANMKPJIV-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCCCOCCn1cc(C)c(N)n1 69760320 566260750 /nfs/dbraw/zinc/26/07/50/566260750.db2.gz XFJLOPSYQPNZAP-UHFFFAOYSA-N 0 0 197.282 1.590 10 0 ADAERN Cc1cn(CCOC(C)C)nc1N 69760380 566261226 /nfs/dbraw/zinc/26/12/26/566261226.db2.gz DLZKEQQSARQEKO-UHFFFAOYSA-N 0 0 183.255 1.199 10 0 ADAERN CCOCCn1cc(Cl)c(N)n1 69759693 566261345 /nfs/dbraw/zinc/26/13/45/566261345.db2.gz WLWMVIBIGPYZMK-UHFFFAOYSA-N 0 0 189.646 1.155 10 0 ADAERN CC(C)OCCCn1ccc(N)n1 70944025 566262135 /nfs/dbraw/zinc/26/21/35/566262135.db2.gz OWEOJQPXSUZMFI-UHFFFAOYSA-N 0 0 183.255 1.280 10 0 ADAERN CCSCCCn1ccc(N)n1 70944072 566262627 /nfs/dbraw/zinc/26/26/27/566262627.db2.gz XQWWWXOFMREIQE-UHFFFAOYSA-N 0 0 185.296 1.609 10 0 ADAERN Nc1ncn(CCCC(F)(F)F)n1 123648668 566263610 /nfs/dbraw/zinc/26/36/10/566263610.db2.gz YDUCNJWOMPNIIS-UHFFFAOYSA-N 0 0 194.160 1.203 10 0 ADAERN Nc1ccn(CCCC(F)(F)F)n1 123648385 566263895 /nfs/dbraw/zinc/26/38/95/566263895.db2.gz GNVUFRUUSUFXFS-UHFFFAOYSA-N 0 0 193.172 1.808 10 0 ADAERN Cc1cc(C(=O)N(C)C)cs1 143514089 566266345 /nfs/dbraw/zinc/26/63/45/566266345.db2.gz QQMZLVGZZLMZQN-UHFFFAOYSA-N 0 0 169.249 1.758 10 0 ADAERN COCCCN1CCC(F)(F)C1 143807375 566267013 /nfs/dbraw/zinc/26/70/13/566267013.db2.gz BDHMAJIRTYGQOC-UHFFFAOYSA-N 0 0 179.210 1.364 10 0 ADAERN CCN(C)Cc1nc(CO)cs1 143323167 566267058 /nfs/dbraw/zinc/26/70/58/566267058.db2.gz YNGXSAIATIMOSY-UHFFFAOYSA-N 0 0 186.280 1.087 10 0 ADAERN COC(CP(=O)(OC)OC)OC 143185946 566267084 /nfs/dbraw/zinc/26/70/84/566267084.db2.gz ZBPYWQLAIDVQDF-UHFFFAOYSA-N 0 0 198.155 1.091 10 0 ADAERN CC(C)CC(=O)N(C)CC1(CO)CC1 143558750 566267099 /nfs/dbraw/zinc/26/70/99/566267099.db2.gz MSVGMMBJCUOUBX-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN CCCNC(=O)CCC(C)(C)C(C)=O 143678955 566267315 /nfs/dbraw/zinc/26/73/15/566267315.db2.gz KRAZGWDGJZYGSN-UHFFFAOYSA-N 0 0 199.294 1.908 10 0 ADAERN CCOC(=O)C1(NC(C)C)CC1 143313110 566267388 /nfs/dbraw/zinc/26/73/88/566267388.db2.gz SDUCGMFGQJPTPW-UHFFFAOYSA-N 0 0 171.240 1.080 10 0 ADAERN COc1cccc2s[nH]c(=O)c12 143229501 566267439 /nfs/dbraw/zinc/26/74/39/566267439.db2.gz HUILNLAAAZVRLP-UHFFFAOYSA-N 0 0 181.216 1.598 10 0 ADAERN CC(C)NC1(C(=O)OC(C)(C)C)CC1 143314145 566267809 /nfs/dbraw/zinc/26/78/09/566267809.db2.gz SXUNOHVIXHFCFY-UHFFFAOYSA-N 0 0 199.294 1.859 10 0 ADAERN C[C@H](CO)[C@H](C)NC(=O)C1CC=CC1 157814807 566268606 /nfs/dbraw/zinc/26/86/06/566268606.db2.gz HBWKHNXFKNIOKL-BDAKNGLRSA-N 0 0 197.278 1.086 10 0 ADAERN COCCCCn1ccccc1=O 157878207 566268682 /nfs/dbraw/zinc/26/86/82/566268682.db2.gz IAWQXYSQBFLCJT-UHFFFAOYSA-N 0 0 181.235 1.275 10 0 ADAERN C[C@H](CO)[C@H](C)NC(=O)c1ccco1 157811796 566268713 /nfs/dbraw/zinc/26/87/13/566268713.db2.gz JIRRESBODRHELM-SFYZADRCSA-N 0 0 197.234 1.026 10 0 ADAERN C[C@H](CO)[C@@H](C)NC(=O)C1CCCC1 157790295 566268727 /nfs/dbraw/zinc/26/87/27/566268727.db2.gz XEVQQLSYMLBKGZ-RKDXNWHRSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@H](NC(=O)C1CCCC1)[C@@H](C)CO 157790436 566268866 /nfs/dbraw/zinc/26/88/66/566268866.db2.gz XEVQQLSYMLBKGZ-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H](CO)[C@@H](C)NC(=O)C1CC=CC1 157814394 566268877 /nfs/dbraw/zinc/26/88/77/566268877.db2.gz HBWKHNXFKNIOKL-DTWKUNHWSA-N 0 0 197.278 1.086 10 0 ADAERN C[C@@H](CO)[C@@H](C)NC(=O)c1ccco1 157811345 566268887 /nfs/dbraw/zinc/26/88/87/566268887.db2.gz JIRRESBODRHELM-JGVFFNPUSA-N 0 0 197.234 1.026 10 0 ADAERN CC(C)CC(=O)N[C@H](C)[C@H](C)CO 157822976 566268956 /nfs/dbraw/zinc/26/89/56/566268956.db2.gz QOMRQCFVIZQVGM-RKDXNWHRSA-N 0 0 187.283 1.166 10 0 ADAERN C[C@H](CO)[C@@H](C)NC(=O)C(C)(C)C 157798933 566269017 /nfs/dbraw/zinc/26/90/17/566269017.db2.gz QSLBPEBXLNSNRF-HTQZYQBOSA-N 0 0 187.283 1.166 10 0 ADAERN CCCCC(=O)N[C@@H](C)[C@H](C)CO 157789239 566269197 /nfs/dbraw/zinc/26/91/97/566269197.db2.gz IFOYAONBQLONOT-BDAKNGLRSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@H](CO)[C@H](C)NC(=O)C(C)(C)C 157799201 566269216 /nfs/dbraw/zinc/26/92/16/566269216.db2.gz QSLBPEBXLNSNRF-SFYZADRCSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)CC(=O)N[C@@H](C)[C@@H](C)CO 157822537 566269435 /nfs/dbraw/zinc/26/94/35/566269435.db2.gz QOMRQCFVIZQVGM-IUCAKERBSA-N 0 0 187.283 1.166 10 0 ADAERN CC[C@H](C)C(=O)N[C@H](C)[C@@H](C)CO 157796923 566269828 /nfs/dbraw/zinc/26/98/28/566269828.db2.gz FCDPZOADMBPNOS-XHNCKOQMSA-N 0 0 187.283 1.166 10 0 ADAERN CCCCC(=O)N[C@@H](C)[C@@H](C)CO 157788955 566269987 /nfs/dbraw/zinc/26/99/87/566269987.db2.gz IFOYAONBQLONOT-IUCAKERBSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@H](CO)[C@@H](C)NC(=O)C1CC=CC1 157814528 566270034 /nfs/dbraw/zinc/27/00/34/566270034.db2.gz HBWKHNXFKNIOKL-RKDXNWHRSA-N 0 0 197.278 1.086 10 0 ADAERN C[C@H](NC(=O)C(C)(C)C)[C@@H](C)CO 157799074 566270058 /nfs/dbraw/zinc/27/00/58/566270058.db2.gz QSLBPEBXLNSNRF-YUMQZZPRSA-N 0 0 187.283 1.166 10 0 ADAERN C[C@@H](CO)[C@@H](C)NC(=O)C1CCCC1 157790143 566270103 /nfs/dbraw/zinc/27/01/03/566270103.db2.gz XEVQQLSYMLBKGZ-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN CC(C)CC(=O)N[C@H](C)[C@@H](C)CO 157822692 566270155 /nfs/dbraw/zinc/27/01/55/566270155.db2.gz QOMRQCFVIZQVGM-DTWKUNHWSA-N 0 0 187.283 1.166 10 0 ADAERN CC[C@H](C)C(=O)N[C@@H](C)[C@@H](C)CO 157796655 566270268 /nfs/dbraw/zinc/27/02/68/566270268.db2.gz FCDPZOADMBPNOS-CIUDSAMLSA-N 0 0 187.283 1.166 10 0 ADAERN C[C@H](CO)[C@@H](C)NC(=O)c1ccco1 157811490 566270325 /nfs/dbraw/zinc/27/03/25/566270325.db2.gz JIRRESBODRHELM-HTQZYQBOSA-N 0 0 197.234 1.026 10 0 ADAERN C[C@H](NC(=O)C1CC=CC1)[C@@H](C)CO 157814668 566270373 /nfs/dbraw/zinc/27/03/73/566270373.db2.gz HBWKHNXFKNIOKL-IUCAKERBSA-N 0 0 197.278 1.086 10 0 ADAERN C[C@@H](CO)[C@@H](C)NC(=O)C(C)(C)C 157798800 566270514 /nfs/dbraw/zinc/27/05/14/566270514.db2.gz QSLBPEBXLNSNRF-JGVFFNPUSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)CC(=O)N[C@@H](C)[C@H](C)CO 157822843 566270477 /nfs/dbraw/zinc/27/04/77/566270477.db2.gz QOMRQCFVIZQVGM-BDAKNGLRSA-N 0 0 187.283 1.166 10 0 ADAERN CCCCC(=O)N[C@H](C)[C@H](C)CO 157789390 566270540 /nfs/dbraw/zinc/27/05/40/566270540.db2.gz IFOYAONBQLONOT-RKDXNWHRSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@H](CO)[C@H](C)NC(=O)C1CCCC1 157790578 566270571 /nfs/dbraw/zinc/27/05/71/566270571.db2.gz XEVQQLSYMLBKGZ-BDAKNGLRSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@H](NC(=O)c1ccco1)[C@@H](C)CO 157811649 566270654 /nfs/dbraw/zinc/27/06/54/566270654.db2.gz JIRRESBODRHELM-YUMQZZPRSA-N 0 0 197.234 1.026 10 0 ADAERN CCCCC(=O)N[C@H](C)[C@@H](C)CO 157789102 566270663 /nfs/dbraw/zinc/27/06/63/566270663.db2.gz IFOYAONBQLONOT-DTWKUNHWSA-N 0 0 187.283 1.310 10 0 ADAERN COCc1sccc1C(=O)OC 196333375 566274705 /nfs/dbraw/zinc/27/47/05/566274705.db2.gz DYMIWOWQLWRZFC-UHFFFAOYSA-N 0 0 186.232 1.681 10 0 ADAERN CN(C#N)C(=O)COc1ccccc1 196281320 566274857 /nfs/dbraw/zinc/27/48/57/566274857.db2.gz DYZOWJIMOHYLJI-UHFFFAOYSA-N 0 0 190.202 1.005 10 0 ADAERN CCC(=O)N(C)Cc1cnn(C)c1C 196378876 566274868 /nfs/dbraw/zinc/27/48/68/566274868.db2.gz YSKRGUNLGJKEFQ-UHFFFAOYSA-N 0 0 195.266 1.097 10 0 ADAERN O=C1CCC[C@]23C[C@H](CO2)[C@H]13 196327760 566274985 /nfs/dbraw/zinc/27/49/85/566274985.db2.gz VKNDICNEHKMNHR-FTLITQJKSA-N 0 0 152.193 1.145 10 0 ADAERN CCOc1cccnc1C(=O)OC 196383770 566275053 /nfs/dbraw/zinc/27/50/53/566275053.db2.gz RUIUPJMNQCUHNG-UHFFFAOYSA-N 0 0 181.191 1.267 10 0 ADAERN CC(C)(C)C(C)(C)C(=O)NCCO 197543398 566276703 /nfs/dbraw/zinc/27/67/03/566276703.db2.gz IIOVMIVFWRPPNP-UHFFFAOYSA-N 0 0 187.283 1.167 10 0 ADAERN CCn1cnc2c(N)nccc21 218009981 566279877 /nfs/dbraw/zinc/27/98/77/566279877.db2.gz SGUPSFRNQQWUGN-UHFFFAOYSA-N 0 0 162.196 1.033 10 0 ADAERN C[C@@H]1CCCN(C(=O)N[C@H]2C[C@H]2C)C1 222967554 566280556 /nfs/dbraw/zinc/28/05/56/566280556.db2.gz HHCACNWYPAMWSF-BBBLOLIVSA-N 0 0 196.294 1.836 10 0 ADAERN C[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2C)C1 222967621 566280699 /nfs/dbraw/zinc/28/06/99/566280699.db2.gz HHCACNWYPAMWSF-OPRDCNLKSA-N 0 0 196.294 1.836 10 0 ADAERN C1CCC([C@H]2CCNc3nnnn32)C1 232472856 566282071 /nfs/dbraw/zinc/28/20/71/566282071.db2.gz VPJRFMFTXBTPSV-MRVPVSSYSA-N 0 0 193.254 1.220 10 0 ADAERN C1CCC([C@@H]2CCNc3nnnn32)C1 232470241 566282150 /nfs/dbraw/zinc/28/21/50/566282150.db2.gz VPJRFMFTXBTPSV-QMMMGPOBSA-N 0 0 193.254 1.220 10 0 ADAERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 238613344 566282767 /nfs/dbraw/zinc/28/27/67/566282767.db2.gz ZDDJQBOZZPAGQN-OPRDCNLKSA-N 0 0 179.263 1.701 10 0 ADAERN O=C(N[C@H]1CC12CC2)c1ccccc1 238613870 566283280 /nfs/dbraw/zinc/28/32/80/566283280.db2.gz YHOFXNOQKRPUOP-JTQLQIEISA-N 0 0 187.242 1.969 10 0 ADAERN NC(=O)C1CC2(CCCCC2)C1 238634592 566283549 /nfs/dbraw/zinc/28/35/49/566283549.db2.gz UZZIJKZVZZOMIJ-UHFFFAOYSA-N 0 0 167.252 1.832 10 0 ADAERN O=C(NC1CCC1)[C@H]1C[C@@H]2C[C@@H]2C1 250681458 566285465 /nfs/dbraw/zinc/28/54/65/566285465.db2.gz YNZNDBCWMDHUIC-AYMMMOKOSA-N 0 0 179.263 1.701 10 0 ADAERN Nc1ccc(C2CC2)n(C2CC2)c1=O 257811252 566289533 /nfs/dbraw/zinc/28/95/33/566289533.db2.gz BAQVGFWDDWRXHO-UHFFFAOYSA-N 0 0 190.246 1.643 10 0 ADAERN CC(C)(C)OC(=O)C[C@@H](N)C(F)F 257811880 566289609 /nfs/dbraw/zinc/28/96/09/566289609.db2.gz BLUKZRJOIYEJGB-RXMQYKEDSA-N 0 0 195.209 1.311 10 0 ADAERN Nc1c2c(nn1C1CC1)CCCC2 257830297 566289695 /nfs/dbraw/zinc/28/96/95/566289695.db2.gz JFQIDIMKFRRGNI-UHFFFAOYSA-N 0 0 177.251 1.679 10 0 ADAERN Nc1c2c(nn1C1CC1)CCSC2 257896140 566289788 /nfs/dbraw/zinc/28/97/88/566289788.db2.gz XZSODWMJWDTKED-UHFFFAOYSA-N 0 0 195.291 1.590 10 0 ADAERN OCc1cnc(C2CCOCC2)o1 257928572 566289905 /nfs/dbraw/zinc/28/99/05/566289905.db2.gz DTKFVYABHYPXHS-UHFFFAOYSA-N 0 0 183.207 1.061 10 0 ADAERN CC(C)(C)OC(=O)C[C@H](N)C(F)F 257811881 566289979 /nfs/dbraw/zinc/28/99/79/566289979.db2.gz BLUKZRJOIYEJGB-YFKPBYRVSA-N 0 0 195.209 1.311 10 0 ADAERN COC(=O)c1cnc2ncoc2c1 261215267 566291332 /nfs/dbraw/zinc/29/13/32/566291332.db2.gz RQMISYUXJDYGHZ-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN Cc1cc(N)nn1COC(C)(C)C 306224810 566292285 /nfs/dbraw/zinc/29/22/85/566292285.db2.gz BFBQSSSXSHVSRO-UHFFFAOYSA-N 0 0 183.255 1.546 10 0 ADAERN COC(=O)[C@H]1O[C@]12CCCC21CCC1 307172626 566295686 /nfs/dbraw/zinc/29/56/86/566295686.db2.gz PYNRBWWLTWWRNO-LDYMZIIASA-N 0 0 196.246 1.651 10 0 ADAERN COC(=O)[C@@H]1O[C@@]12CCCC21CCC1 307172625 566296590 /nfs/dbraw/zinc/29/65/90/566296590.db2.gz PYNRBWWLTWWRNO-KWQFWETISA-N 0 0 196.246 1.651 10 0 ADAERN CCc1cc(NCc2cn[nH]c2)no1 307181576 566296883 /nfs/dbraw/zinc/29/68/83/566296883.db2.gz MYHXVVFIKILCGS-UHFFFAOYSA-N 0 0 192.222 1.572 10 0 ADAERN COC(=O)[C@H]1O[C@@]12CCCC21CCC1 307172624 566296934 /nfs/dbraw/zinc/29/69/34/566296934.db2.gz PYNRBWWLTWWRNO-KCJUWKMLSA-N 0 0 196.246 1.651 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)[C@@H]1CCCO1 307179273 566297062 /nfs/dbraw/zinc/29/70/62/566297062.db2.gz IENKOYUDHUDUKG-CIUDSAMLSA-N 0 0 183.251 1.175 10 0 ADAERN COC(=O)[C@@H]1O[C@]12CCCC21CCC1 307172623 566297116 /nfs/dbraw/zinc/29/71/16/566297116.db2.gz PYNRBWWLTWWRNO-GZMMTYOYSA-N 0 0 196.246 1.651 10 0 ADAERN C[C@@H]1NC(=O)N(CCCC2CC2)C1=O 348912837 566302651 /nfs/dbraw/zinc/30/26/51/566302651.db2.gz PWDDHKIFMYPDSD-ZETCQYMHSA-N 0 0 196.250 1.117 10 0 ADAERN C[C@@H]1CC[C@H]1N1C(=O)[C@@H](C)N(C)C1=O 348743952 566303254 /nfs/dbraw/zinc/30/32/54/566303254.db2.gz QZOXTOXFLSAGKE-BWZBUEFSSA-N 0 0 196.250 1.067 10 0 ADAERN CC[C@H]1NC(=O)N(C2CC=CC2)C1=O 348892621 566303304 /nfs/dbraw/zinc/30/33/04/566303304.db2.gz RUTCXJZXLDGFQO-MRVPVSSYSA-N 0 0 194.234 1.035 10 0 ADAERN CCC(CC)N1C(=O)N[C@@H](CC)C1=O 348701533 566303437 /nfs/dbraw/zinc/30/34/37/566303437.db2.gz RCMKXPIEIYOLPR-QMMMGPOBSA-N 0 0 198.266 1.505 10 0 ADAERN CN1CC(=O)N(CCCC2CC2)C1=O 348908742 566303698 /nfs/dbraw/zinc/30/36/98/566303698.db2.gz KGITXRJBNYTVMU-UHFFFAOYSA-N 0 0 196.250 1.071 10 0 ADAERN C[C@H]1CC[C@H]1N1C(=O)[C@@H](C)N(C)C1=O 348760334 566303756 /nfs/dbraw/zinc/30/37/56/566303756.db2.gz QZOXTOXFLSAGKE-XLPZGREQSA-N 0 0 196.250 1.067 10 0 ADAERN C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](C)N(C)C1=O 348743955 566303777 /nfs/dbraw/zinc/30/37/77/566303777.db2.gz QZOXTOXFLSAGKE-PRJMDXOYSA-N 0 0 196.250 1.067 10 0 ADAERN C[C@H]1CC[C@@H]1N1C(=O)[C@@H](C)N(C)C1=O 348760333 566303784 /nfs/dbraw/zinc/30/37/84/566303784.db2.gz QZOXTOXFLSAGKE-RNJXMRFFSA-N 0 0 196.250 1.067 10 0 ADAERN CC[C@@H]1NC(=O)N([C@@H]2CC[C@H]2C)C1=O 348675216 566303830 /nfs/dbraw/zinc/30/38/30/566303830.db2.gz OGUAAAANYDXYOX-GJMOJQLCSA-N 0 0 196.250 1.115 10 0 ADAERN CCN1CC(=O)N(CCC(C)C)C1=O 348695515 566303836 /nfs/dbraw/zinc/30/38/36/566303836.db2.gz VWHWMEFXDCZTAC-UHFFFAOYSA-N 0 0 198.266 1.317 10 0 ADAERN CC[C@@H]1NC(=O)N([C@H]2CC[C@@H]2C)C1=O 348675215 566303874 /nfs/dbraw/zinc/30/38/74/566303874.db2.gz OGUAAAANYDXYOX-FXQIFTODSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@H]1NC(=O)N(CCCC2CC2)C1=O 348912836 566303964 /nfs/dbraw/zinc/30/39/64/566303964.db2.gz PWDDHKIFMYPDSD-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN CCC(CC)N1C(=O)N[C@H](CC)C1=O 348701532 566303976 /nfs/dbraw/zinc/30/39/76/566303976.db2.gz RCMKXPIEIYOLPR-MRVPVSSYSA-N 0 0 198.266 1.505 10 0 ADAERN CC[C@@H]1NC(=O)N([C@H]2CC[C@H]2C)C1=O 348675213 566304019 /nfs/dbraw/zinc/30/40/19/566304019.db2.gz OGUAAAANYDXYOX-CSMHCCOUSA-N 0 0 196.250 1.115 10 0 ADAERN CC[C@@H]1NC(=O)N([C@@H]2CC[C@@H]2C)C1=O 348675211 566304155 /nfs/dbraw/zinc/30/41/55/566304155.db2.gz OGUAAAANYDXYOX-BIIVOSGPSA-N 0 0 196.250 1.115 10 0 ADAERN O=C([O-])C(F)(F)C[NH2+]C1CCCC1 379392194 566304968 /nfs/dbraw/zinc/30/49/68/566304968.db2.gz RHSLGOAJTGEUFD-UHFFFAOYSA-N 0 0 193.193 1.239 10 0 ADAERN Nc1ccc(=O)n(CCCC2CC2)c1 405981218 566307560 /nfs/dbraw/zinc/30/75/60/566307560.db2.gz IXCDGAABUAOTRZ-UHFFFAOYSA-N 0 0 192.262 1.621 10 0 ADAERN Cc1cn(CCCC2CC2)nc1N 405994507 566307580 /nfs/dbraw/zinc/30/75/80/566307580.db2.gz NLMCXZLWSOVEGV-UHFFFAOYSA-N 0 0 179.267 1.794 10 0 ADAERN Nc1cn(CCCC2CC2)ccc1=O 405986791 566307597 /nfs/dbraw/zinc/30/75/97/566307597.db2.gz KQQKCTTVTSHSNH-UHFFFAOYSA-N 0 0 192.262 1.621 10 0 ADAERN Cc1cc(N)nn1CCCC1CC1 405995220 566307606 /nfs/dbraw/zinc/30/76/06/566307606.db2.gz NPCLJCJUNVBGQO-UHFFFAOYSA-N 0 0 179.267 1.794 10 0 ADAERN Nc1cccn(CCCC2CC2)c1=O 405976653 566307619 /nfs/dbraw/zinc/30/76/19/566307619.db2.gz HKUCDEJHVQVZLC-UHFFFAOYSA-N 0 0 192.262 1.621 10 0 ADAERN O[C@@H]1CCOC12CCCC2 675079364 566311294 /nfs/dbraw/zinc/31/12/94/566311294.db2.gz DECZANHRWBHXRZ-SSDOTTSWSA-N 0 0 142.198 1.080 10 0 ADAERN O[C@H]1CCOC12CCCC2 675079371 566311404 /nfs/dbraw/zinc/31/14/04/566311404.db2.gz DECZANHRWBHXRZ-ZETCQYMHSA-N 0 0 142.198 1.080 10 0 ADAERN O[C@H]1CCO[C@@]12CCCSC2 675079209 566311733 /nfs/dbraw/zinc/31/17/33/566311733.db2.gz AOUZIINZZLAOKQ-JGVFFNPUSA-N 0 0 174.265 1.033 10 0 ADAERN O[C@H]1CCO[C@]12CCCSC2 675079212 566312207 /nfs/dbraw/zinc/31/22/07/566312207.db2.gz AOUZIINZZLAOKQ-YUMQZZPRSA-N 0 0 174.265 1.033 10 0 ADAERN CCOc1cc(N)cc(C(C)=O)c1 675079009 566312546 /nfs/dbraw/zinc/31/25/46/566312546.db2.gz DJBPQSOZPNTPAZ-UHFFFAOYSA-N 0 0 179.219 1.870 10 0 ADAERN O[C@@H]1CCO[C@@]12CCCSC2 675079205 566312585 /nfs/dbraw/zinc/31/25/85/566312585.db2.gz AOUZIINZZLAOKQ-HTQZYQBOSA-N 0 0 174.265 1.033 10 0 ADAERN O[C@@H]1CCO[C@]12CCCSC2 675079211 566312808 /nfs/dbraw/zinc/31/28/08/566312808.db2.gz AOUZIINZZLAOKQ-SFYZADRCSA-N 0 0 174.265 1.033 10 0 ADAERN FC1(F)C[C@@H]1NC1CCCC1 1257342060 1170008050 /nfs/dbraw/zinc/00/80/50/1170008050.db2.gz TWGCRTJLYYABDS-ZETCQYMHSA-N 0 0 161.195 1.926 10 0 ADAERN FC1(F)C[C@H]1NC1CCCC1 1257342054 1170008221 /nfs/dbraw/zinc/00/82/21/1170008221.db2.gz TWGCRTJLYYABDS-SSDOTTSWSA-N 0 0 161.195 1.926 10 0 ADAERN CC[C@@H](C)N[C@H]1CC1(F)F 1257428191 1170021685 /nfs/dbraw/zinc/02/16/85/1170021685.db2.gz NQHINCACQSUWEJ-RITPCOANSA-N 0 0 149.184 1.782 10 0 ADAERN CC[C@H](C)N[C@@H]1CC1(F)F 1257428189 1170021811 /nfs/dbraw/zinc/02/18/11/1170021811.db2.gz NQHINCACQSUWEJ-NTSWFWBYSA-N 0 0 149.184 1.782 10 0 ADAERN CC[C@H](C)N[C@H]1CC1(F)F 1257428192 1170021875 /nfs/dbraw/zinc/02/18/75/1170021875.db2.gz NQHINCACQSUWEJ-WDSKDSINSA-N 0 0 149.184 1.782 10 0 ADAERN CC[C@@H](C)N[C@@H]1CC1(F)F 1257428190 1170022733 /nfs/dbraw/zinc/02/27/33/1170022733.db2.gz NQHINCACQSUWEJ-PHDIDXHHSA-N 0 0 149.184 1.782 10 0 ADAERN CC[C@@H](C)NC1(C(F)(F)F)COC1 1257436607 1170026489 /nfs/dbraw/zinc/02/64/89/1170026489.db2.gz SBYOAXNKLPYODW-ZCFIWIBFSA-N 0 0 197.200 1.706 10 0 ADAERN CC[C@@H](C)N1CC(F)(F)C1 1257438386 1170025875 /nfs/dbraw/zinc/02/58/75/1170025875.db2.gz WQFKWHSBGHIPME-ZCFIWIBFSA-N 0 0 149.184 1.736 10 0 ADAERN CC[C@H](C)N1CC(F)(F)C1 1257438385 1170027242 /nfs/dbraw/zinc/02/72/42/1170027242.db2.gz WQFKWHSBGHIPME-LURJTMIESA-N 0 0 149.184 1.736 10 0 ADAERN CC[C@@H](C)N1CCCCO1 1257438130 1170027425 /nfs/dbraw/zinc/02/74/25/1170027425.db2.gz RHQRAYKGHIELIC-MRVPVSSYSA-N 0 0 143.230 1.812 10 0 ADAERN CC[C@H](C)N1CCCCO1 1257438133 1170027653 /nfs/dbraw/zinc/02/76/53/1170027653.db2.gz RHQRAYKGHIELIC-QMMMGPOBSA-N 0 0 143.230 1.812 10 0 ADAERN CC[C@H](C)N1CC(C)(F)C1 1257437065 1170027700 /nfs/dbraw/zinc/02/77/00/1170027700.db2.gz AZQPLFJZXIDBPY-ZETCQYMHSA-N 0 0 145.221 1.829 10 0 ADAERN CC[C@@H](C)N1CC(C)(F)C1 1257437063 1170028240 /nfs/dbraw/zinc/02/82/40/1170028240.db2.gz AZQPLFJZXIDBPY-SSDOTTSWSA-N 0 0 145.221 1.829 10 0 ADAERN CC[C@H](C)NC1(C(F)(F)F)COC1 1257436602 1170029211 /nfs/dbraw/zinc/02/92/11/1170029211.db2.gz SBYOAXNKLPYODW-LURJTMIESA-N 0 0 197.200 1.706 10 0 ADAERN CC[C@@H](C)N1C[C@@H](F)[C@H](F)C1 1257437397 1170029290 /nfs/dbraw/zinc/02/92/90/1170029290.db2.gz IAVCEXXWPAWFHO-BWZBUEFSSA-N 0 0 163.211 1.777 10 0 ADAERN CC[C@H](C)N1C[C@@H](F)[C@H](F)C1 1257437399 1170029447 /nfs/dbraw/zinc/02/94/47/1170029447.db2.gz IAVCEXXWPAWFHO-XLPZGREQSA-N 0 0 163.211 1.777 10 0 ADAERN CC[C@@H](C)N1Cc2cnn(C)c2C1 1257443711 1170031640 /nfs/dbraw/zinc/03/16/40/1170031640.db2.gz WDYKFOMZAVTIKM-MRVPVSSYSA-N 0 0 179.267 1.534 10 0 ADAERN CC[C@H](C)N1Cc2cnn(C)c2C1 1257443713 1170032883 /nfs/dbraw/zinc/03/28/83/1170032883.db2.gz WDYKFOMZAVTIKM-QMMMGPOBSA-N 0 0 179.267 1.534 10 0 ADAERN Cc1coc(C(=O)N2CC(C)C2)c1C 1257472562 1170040128 /nfs/dbraw/zinc/04/01/28/1170040128.db2.gz LQWQXXYYEVDZLG-UHFFFAOYSA-N 0 0 193.246 1.988 10 0 ADAERN CC(C)c1nnc(C[C@@H]2CCCO2)o1 1257646390 1170045102 /nfs/dbraw/zinc/04/51/02/1170045102.db2.gz BXEYSYLVHIUDTO-QMMMGPOBSA-N 0 0 196.250 1.915 10 0 ADAERN CC(C)c1nnc(C[C@H]2CCCO2)o1 1257646389 1170046473 /nfs/dbraw/zinc/04/64/73/1170046473.db2.gz BXEYSYLVHIUDTO-MRVPVSSYSA-N 0 0 196.250 1.915 10 0 ADAERN FC1(F)C[C@@H]1N[C@@H]1CCCSC1 1257658374 1170047113 /nfs/dbraw/zinc/04/71/13/1170047113.db2.gz YCHSHNFLKPECGY-RQJHMYQMSA-N 0 0 193.262 1.879 10 0 ADAERN FC1(F)C[C@H]1N[C@@H]1CCCSC1 1257658373 1170047175 /nfs/dbraw/zinc/04/71/75/1170047175.db2.gz YCHSHNFLKPECGY-RNFRBKRXSA-N 0 0 193.262 1.879 10 0 ADAERN FC1(F)C[C@H]1N[C@H]1CCCSC1 1257658372 1170047252 /nfs/dbraw/zinc/04/72/52/1170047252.db2.gz YCHSHNFLKPECGY-NKWVEPMBSA-N 0 0 193.262 1.879 10 0 ADAERN FC1(F)C[C@@H]1N[C@H]1CCCSC1 1257658371 1170047329 /nfs/dbraw/zinc/04/73/29/1170047329.db2.gz YCHSHNFLKPECGY-BQBZGAKWSA-N 0 0 193.262 1.879 10 0 ADAERN COC(=O)CN[C@@H](C)CCC=C(C)C 1258079806 1170049915 /nfs/dbraw/zinc/04/99/15/1170049915.db2.gz VKRNEVHGIVRKQU-JTQLQIEISA-N 0 0 199.294 1.884 10 0 ADAERN COC(=O)CN[C@H](C)CCC=C(C)C 1258079807 1170052469 /nfs/dbraw/zinc/05/24/69/1170052469.db2.gz VKRNEVHGIVRKQU-SNVBAGLBSA-N 0 0 199.294 1.884 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)[C@H](O)C(C)(C)C 1258192789 1170058200 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1331552936 1170292209 /nfs/dbraw/zinc/29/22/09/1170292209.db2.gz LDHJSOFEIDKBTP-WHFBIAKZSA-N 0 0 197.250 1.508 10 0 ADAERN C/C=C/COC(=O)COCC(F)F 1331490453 1170292456 /nfs/dbraw/zinc/29/24/56/1170292456.db2.gz RTQUMOWNYIUELL-NSCUHMNNSA-N 0 0 194.177 1.387 10 0 ADAERN CS[C@H](C)C(=O)N[C@@H](C)C(F)F 1331552931 1170292512 /nfs/dbraw/zinc/29/25/12/1170292512.db2.gz LDHJSOFEIDKBTP-CRCLSJGQSA-N 0 0 197.250 1.508 10 0 ADAERN Cc1ncc(C)c(N[C@@H]2C[C@H]2C)n1 1331498544 1170292541 /nfs/dbraw/zinc/29/25/41/1170292541.db2.gz QFELXHNMYLTMBF-HZGVNTEJSA-N 0 0 177.251 1.914 10 0 ADAERN C[C@@H](NC(=O)[C@@H]1CC12CC2)C(F)F 1331530851 1170292655 /nfs/dbraw/zinc/29/26/55/1170292655.db2.gz PKUDVVVMUKSFIA-RITPCOANSA-N 0 0 189.205 1.556 10 0 ADAERN NC(=O)c1cnn(C2CCCCC2)c1 1331721081 1170292793 /nfs/dbraw/zinc/29/27/93/1170292793.db2.gz ICJRVBJMXOCEBJ-UHFFFAOYSA-N 0 0 193.250 1.487 10 0 ADAERN O=C(OCCOC1CC1)C1(F)CC1 1331511716 1170292873 /nfs/dbraw/zinc/29/28/73/1170292873.db2.gz GSDCGIQOWODUBV-UHFFFAOYSA-N 0 0 188.198 1.211 10 0 ADAERN C[C@@H](NC(=O)[C@H]1CC1(C)C)C(F)F 1331553905 1170293025 /nfs/dbraw/zinc/29/30/25/1170293025.db2.gz QICLCDFPGNROKQ-PHDIDXHHSA-N 0 0 191.221 1.802 10 0 ADAERN CC/C=C\CNC(=O)[C@@H]1C[C@@H](C)CO1 1331537581 1170293070 /nfs/dbraw/zinc/29/30/70/1170293070.db2.gz LDNAIZYCXKZRNU-OOMSKYPHSA-N 0 0 197.278 1.494 10 0 ADAERN C[C@H](NC(=O)[C@H]1CC12CC2)C(F)F 1331530834 1170293136 /nfs/dbraw/zinc/29/31/36/1170293136.db2.gz PKUDVVVMUKSFIA-NTSWFWBYSA-N 0 0 189.205 1.556 10 0 ADAERN Cc1n[nH]c(C[N@@H+](C)C2CC2)c1C 1331551526 1170293385 /nfs/dbraw/zinc/29/33/85/1170293385.db2.gz BRSDHNKXPFPXTR-UHFFFAOYSA-N 0 0 179.267 1.621 10 0 ADAERN CC(C)COC(=O)COCC(F)F 1331486188 1170293436 /nfs/dbraw/zinc/29/34/36/1170293436.db2.gz CCASVQOHBANFQX-UHFFFAOYSA-N 0 0 196.193 1.467 10 0 ADAERN C[C@H](NC(=O)[C@@H]1CC12CC2)C(F)F 1331530853 1170293469 /nfs/dbraw/zinc/29/34/69/1170293469.db2.gz PKUDVVVMUKSFIA-WDSKDSINSA-N 0 0 189.205 1.556 10 0 ADAERN CS[C@H](C)C(=O)N[C@H](C)C(F)F 1331552933 1170293698 /nfs/dbraw/zinc/29/36/98/1170293698.db2.gz LDHJSOFEIDKBTP-RFZPGFLSSA-N 0 0 197.250 1.508 10 0 ADAERN C[C@H](NC(=O)CCCF)C(F)F 1331554638 1170293794 /nfs/dbraw/zinc/29/37/94/1170293794.db2.gz WMFQJKBNKQOXPB-YFKPBYRVSA-N 0 0 183.173 1.506 10 0 ADAERN CS[C@@H](C)C(=O)N[C@H](C)C(F)F 1331552934 1170294035 /nfs/dbraw/zinc/29/40/35/1170294035.db2.gz LDHJSOFEIDKBTP-UHNVWZDZSA-N 0 0 197.250 1.508 10 0 ADAERN C/C=C\COC(=O)COCC(F)F 1331490452 1170294041 /nfs/dbraw/zinc/29/40/41/1170294041.db2.gz RTQUMOWNYIUELL-IHWYPQMZSA-N 0 0 194.177 1.387 10 0 ADAERN CC/C=C/CNC(=O)[C@@H]1C[C@H](C)CO1 1331537578 1170294097 /nfs/dbraw/zinc/29/40/97/1170294097.db2.gz LDNAIZYCXKZRNU-AWAZDUCLSA-N 0 0 197.278 1.494 10 0 ADAERN C[C@@H](NC(=O)[C@H]1CC12CC2)C(F)F 1331530849 1170294249 /nfs/dbraw/zinc/29/42/49/1170294249.db2.gz PKUDVVVMUKSFIA-PHDIDXHHSA-N 0 0 189.205 1.556 10 0 ADAERN CC/C=C/CNC(=O)[C@@H]1C[C@@H](C)CO1 1331537579 1170294271 /nfs/dbraw/zinc/29/42/71/1170294271.db2.gz LDNAIZYCXKZRNU-CFUOYWMPSA-N 0 0 197.278 1.494 10 0 ADAERN COC1(CNC(CF)CF)CCC1 1331742980 1170294425 /nfs/dbraw/zinc/29/44/25/1170294425.db2.gz UKCQDFFKGUQVAS-UHFFFAOYSA-N 0 0 193.237 1.453 10 0 ADAERN C[C@@H](C(=O)N[C@@H]1C[C@H]1C)n1cccc1 1331828016 1170295344 /nfs/dbraw/zinc/29/53/44/1170295344.db2.gz VANDFVMYUUEGRN-KXUCPTDWSA-N 0 0 192.262 1.574 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H](C)n1cccc1 1331828025 1170295602 /nfs/dbraw/zinc/29/56/02/1170295602.db2.gz VANDFVMYUUEGRN-OPRDCNLKSA-N 0 0 192.262 1.574 10 0 ADAERN CC(C)c1ncc(-c2cn[nH]c2)n1C 1331817578 1170296062 /nfs/dbraw/zinc/29/60/62/1170296062.db2.gz AQOOFPVVWIBAJB-UHFFFAOYSA-N 0 0 190.250 1.934 10 0 ADAERN COCc1nnc([C@@H]2C[C@@H]3C[C@@H]3C2)o1 1331849413 1170296115 /nfs/dbraw/zinc/29/61/15/1170296115.db2.gz JHEBIWZCPXGVNS-JIGDXULJSA-N 0 0 194.234 1.730 10 0 ADAERN CC(C)c1nnc([C@@H]2[C@H]3COC[C@H]32)o1 1331747135 1170296801 /nfs/dbraw/zinc/29/68/01/1170296801.db2.gz HHYIMILKHPHDJU-JIGDXULJSA-N 0 0 194.234 1.553 10 0 ADAERN CCc1nnc(Cc2cncs2)o1 1331893058 1170297136 /nfs/dbraw/zinc/29/71/36/1170297136.db2.gz CIQRWTQSTDQWDO-UHFFFAOYSA-N 0 0 195.247 1.679 10 0 ADAERN CC(=O)C1(NC(=O)[C@H]2CC23CC3)CC1 1332148902 1170297600 /nfs/dbraw/zinc/29/76/00/1170297600.db2.gz PAHMYMXGBZBUDX-MRVPVSSYSA-N 0 0 193.246 1.024 10 0 ADAERN O=C(CCF)N1Cc2ccncc2C1 1332083705 1170297699 /nfs/dbraw/zinc/29/76/99/1170297699.db2.gz VZZQECRGELFKCQ-UHFFFAOYSA-N 0 0 194.209 1.283 10 0 ADAERN CC(=O)C1(NC(=O)[C@@H]2CC23CC3)CC1 1332148905 1170298684 /nfs/dbraw/zinc/29/86/84/1170298684.db2.gz PAHMYMXGBZBUDX-QMMMGPOBSA-N 0 0 193.246 1.024 10 0 ADAERN CCc1[nH]nc(NC(=O)CCF)c1C 1332189821 1170300763 /nfs/dbraw/zinc/30/07/63/1170300763.db2.gz NGEIRKZQBDODRE-UHFFFAOYSA-N 0 0 199.229 1.579 10 0 ADAERN CS(C)(=O)=NC(=O)CC1CCC1 1332227607 1170301022 /nfs/dbraw/zinc/30/10/22/1170301022.db2.gz DLMUQEDZIQDBLL-UHFFFAOYSA-N 0 0 189.280 1.431 10 0 ADAERN CC/C=C(\F)C(=O)NC1(C(C)=O)CC1 1332174238 1170301029 /nfs/dbraw/zinc/30/10/29/1170301029.db2.gz BUQBMQRMRUSUDG-YWEYNIOJSA-N 0 0 199.225 1.488 10 0 ADAERN Cc1cccc(F)c1C(=O)N1CCC1 1332161856 1170301212 /nfs/dbraw/zinc/30/12/12/1170301212.db2.gz RHDUJLDYYPIWHU-UHFFFAOYSA-N 0 0 193.221 1.980 10 0 ADAERN CC1=NN(C2CCOCC2)C(=O)CC1 1332221486 1170301605 /nfs/dbraw/zinc/30/16/05/1170301605.db2.gz HDUZEGJUSMFWDU-UHFFFAOYSA-N 0 0 196.250 1.164 10 0 ADAERN CC/C=C(/F)C(=O)NC1(C(C)=O)CC1 1332174237 1170301891 /nfs/dbraw/zinc/30/18/91/1170301891.db2.gz BUQBMQRMRUSUDG-XBXARRHUSA-N 0 0 199.225 1.488 10 0 ADAERN Cc1ncoc1CNc1ccnn1C 1332267850 1170303006 /nfs/dbraw/zinc/30/30/06/1170303006.db2.gz YXJPWPLTSWSZKB-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN C[C@H]1CCN1C(=O)Cc1ccccc1 1332404176 1170303899 /nfs/dbraw/zinc/30/38/99/1170303899.db2.gz ZGGTUSUKRGACNK-JTQLQIEISA-N 0 0 189.258 1.850 10 0 ADAERN CC(=O)OCSCc1ccccn1 1332323687 1170305310 /nfs/dbraw/zinc/30/53/10/1170305310.db2.gz VXMZJDIJEJOYLZ-UHFFFAOYSA-N 0 0 197.259 1.835 10 0 ADAERN O=C(NCCCF)C1(CF)CCC1 1332482646 1170305945 /nfs/dbraw/zinc/30/59/45/1170305945.db2.gz RTUYMTCSEZDVIP-UHFFFAOYSA-N 0 0 191.221 1.602 10 0 ADAERN O=C(NCC1CC1)C1(CF)CCC1 1332465381 1170306066 /nfs/dbraw/zinc/30/60/66/1170306066.db2.gz OCFHNUFMHBYEIA-UHFFFAOYSA-N 0 0 185.242 1.652 10 0 ADAERN C[C@@H]1CCN1C(=O)Cc1ccccc1 1332404177 1170307020 /nfs/dbraw/zinc/30/70/20/1170307020.db2.gz ZGGTUSUKRGACNK-SNVBAGLBSA-N 0 0 189.258 1.850 10 0 ADAERN c1n[nH]cc1COCCOCC1CC1 1332448080 1170307633 /nfs/dbraw/zinc/30/76/33/1170307633.db2.gz MHVZWHWOYCPJFG-UHFFFAOYSA-N 0 0 196.250 1.353 10 0 ADAERN CCCN(C)C(=O)C1(CF)CCC1 1332449468 1170307813 /nfs/dbraw/zinc/30/78/13/1170307813.db2.gz ICPQZMPUEZYKFD-UHFFFAOYSA-N 0 0 187.258 1.995 10 0 ADAERN CN(CC1CC1)C(=O)C1(CF)CCC1 1332465067 1170308059 /nfs/dbraw/zinc/30/80/59/1170308059.db2.gz NVLOBFTYBDLGBR-UHFFFAOYSA-N 0 0 199.269 1.995 10 0 ADAERN CCCn1nnnc1N1CCCCC1 1332406882 1170308077 /nfs/dbraw/zinc/30/80/77/1170308077.db2.gz AIYIMKRQGQABKQ-UHFFFAOYSA-N 0 0 195.270 1.073 10 0 ADAERN CC(=O)OCSc1ccc(C)nn1 1332763361 1170308656 /nfs/dbraw/zinc/30/86/56/1170308656.db2.gz CUFSNISQUKSAEI-UHFFFAOYSA-N 0 0 198.247 1.398 10 0 ADAERN CC1(CC(=O)N2CC=CC2)CC1 1332620601 1170308873 /nfs/dbraw/zinc/30/88/73/1170308873.db2.gz CZHUVERVIJWQCJ-UHFFFAOYSA-N 0 0 165.236 1.575 10 0 ADAERN O=C(CC1CC1)Nc1ccc[n+]([O-])c1 1332695255 1170309397 /nfs/dbraw/zinc/30/93/97/1170309397.db2.gz URAIUJALNUIJIK-UHFFFAOYSA-N 0 0 192.218 1.059 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)CCF 1332574581 1170309609 /nfs/dbraw/zinc/30/96/09/1170309609.db2.gz CJNLQSCVAXNVIN-RQJHMYQMSA-N 0 0 159.204 1.261 10 0 ADAERN CC(C)CONC(=O)C1(C2CC2)CC1 1332756078 1170309895 /nfs/dbraw/zinc/30/98/95/1170309895.db2.gz GHYMENUNBRFSNJ-UHFFFAOYSA-N 0 0 197.278 1.880 10 0 ADAERN CC1(C(=O)Nc2ccns2)COC1 1332689463 1170309952 /nfs/dbraw/zinc/30/99/52/1170309952.db2.gz ZEOAHANWQMIKDT-UHFFFAOYSA-N 0 0 198.247 1.118 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)CCF 1332574576 1170310320 /nfs/dbraw/zinc/31/03/20/1170310320.db2.gz CJNLQSCVAXNVIN-NKWVEPMBSA-N 0 0 159.204 1.261 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)CCF 1332574579 1170310472 /nfs/dbraw/zinc/31/04/72/1170310472.db2.gz CJNLQSCVAXNVIN-RNFRBKRXSA-N 0 0 159.204 1.261 10 0 ADAERN C/C=C(\C)C(=O)OCCOC1CC1 1332732567 1170310771 /nfs/dbraw/zinc/31/07/71/1170310771.db2.gz DCFGFZVROMVPQN-FPYGCLRLSA-N 0 0 184.235 1.675 10 0 ADAERN C/C=C(/C)C(=O)OCCOC1CC1 1332732566 1170311418 /nfs/dbraw/zinc/31/14/18/1170311418.db2.gz DCFGFZVROMVPQN-BAQGIRSFSA-N 0 0 184.235 1.675 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)CCF 1332574540 1170311828 /nfs/dbraw/zinc/31/18/28/1170311828.db2.gz CJNLQSCVAXNVIN-BQBZGAKWSA-N 0 0 159.204 1.261 10 0 ADAERN CC12CC(CN1C(=O)CC1COC1)C2 1332694882 1170311986 /nfs/dbraw/zinc/31/19/86/1170311986.db2.gz OXIPRFCLBIXZDX-UHFFFAOYSA-N 0 0 195.262 1.034 10 0 ADAERN C[C@@H](C(=O)OCCF)[C@H]1CCCO1 1332799002 1170312354 /nfs/dbraw/zinc/31/23/54/1170312354.db2.gz YLEXJXDUGDWLSV-HTQZYQBOSA-N 0 0 190.214 1.314 10 0 ADAERN O=C(/C=C\C1CC1)N1CC2(CC2)C1 1332863311 1170313053 /nfs/dbraw/zinc/31/30/53/1170313053.db2.gz UVDVJIXLBSVSOW-ARJAWSKDSA-N 0 0 177.247 1.575 10 0 ADAERN C[C@H](C(=O)OCCF)[C@H]1CCCO1 1332799003 1170313509 /nfs/dbraw/zinc/31/35/09/1170313509.db2.gz YLEXJXDUGDWLSV-JGVFFNPUSA-N 0 0 190.214 1.314 10 0 ADAERN C[C@H](C(=O)OCCF)[C@@H]1CCCO1 1332799005 1170313829 /nfs/dbraw/zinc/31/38/29/1170313829.db2.gz YLEXJXDUGDWLSV-YUMQZZPRSA-N 0 0 190.214 1.314 10 0 ADAERN C[C@@H](C(=O)OCCF)[C@@H]1CCCO1 1332799004 1170313853 /nfs/dbraw/zinc/31/38/53/1170313853.db2.gz YLEXJXDUGDWLSV-SFYZADRCSA-N 0 0 190.214 1.314 10 0 ADAERN O=C(/C=C/C1CC1)N1CC2(CC2)C1 1332863317 1170314873 /nfs/dbraw/zinc/31/48/73/1170314873.db2.gz UVDVJIXLBSVSOW-ONEGZZNKSA-N 0 0 177.247 1.575 10 0 ADAERN C/C=C/[C@H](O)C(=O)N[C@H]1C=CCCC1 1333109973 1170315443 /nfs/dbraw/zinc/31/54/43/1170315443.db2.gz IFKFNNCOJGTYMW-BIAHNBGISA-N 0 0 195.262 1.148 10 0 ADAERN CCN1CN(CC2CC(C)C2)CC1=O 1333026513 1170316348 /nfs/dbraw/zinc/31/63/48/1170316348.db2.gz UXXDJZVMOHWMCX-UHFFFAOYSA-N 0 0 196.294 1.154 10 0 ADAERN CC[C@@H]1C[C@H]1CN1CC(=O)N(CC)C1 1333025704 1170316399 /nfs/dbraw/zinc/31/63/99/1170316399.db2.gz NZQVSGMEMDOSKM-ZJUUUORDSA-N 0 0 196.294 1.154 10 0 ADAERN C/C=C/[C@H](O)C(=O)N[C@@H]1C=CCCC1 1333109974 1170316439 /nfs/dbraw/zinc/31/64/39/1170316439.db2.gz IFKFNNCOJGTYMW-GLWCVISYSA-N 0 0 195.262 1.148 10 0 ADAERN CON(C(=O)CCF)C(C)C 1333111277 1170316809 /nfs/dbraw/zinc/31/68/09/1170316809.db2.gz OMXYUWRGZOQKIT-UHFFFAOYSA-N 0 0 163.192 1.144 10 0 ADAERN CCc1nc(-c2nnc(C)o2)c(C)o1 1333091432 1170316816 /nfs/dbraw/zinc/31/68/16/1170316816.db2.gz IHFBWFVLMIPZMU-UHFFFAOYSA-N 0 0 193.206 1.904 10 0 ADAERN C1C[C@]2(CC[N@H+]2CCOC2CC2)CO1 1333068316 1170316825 /nfs/dbraw/zinc/31/68/25/1170316825.db2.gz MRJTXDGNOFKWSC-LLVKDONJSA-N 0 0 197.278 1.030 10 0 ADAERN C/C=C\[C@H](O)C(=O)N[C@H]1C=CCCC1 1333109985 1170317153 /nfs/dbraw/zinc/31/71/53/1170317153.db2.gz IFKFNNCOJGTYMW-RCXGFQFKSA-N 0 0 195.262 1.148 10 0 ADAERN Cc1nnc(C2(CF)CCC2)o1 1333093091 1170317311 /nfs/dbraw/zinc/31/73/11/1170317311.db2.gz RURIDBXIQSWWGW-UHFFFAOYSA-N 0 0 170.187 1.769 10 0 ADAERN O=C([O-])C1(C[NH2+]Cc2ccoc2)CC1 1333122742 1170317331 /nfs/dbraw/zinc/31/73/31/1170317331.db2.gz VAUNEAJLECKIJY-UHFFFAOYSA-N 0 0 195.218 1.234 10 0 ADAERN C1C[C@@]2(CC[N@H+]2CCOC2CC2)CO1 1333068318 1170317577 /nfs/dbraw/zinc/31/75/77/1170317577.db2.gz MRJTXDGNOFKWSC-NSHDSACASA-N 0 0 197.278 1.030 10 0 ADAERN C/C=C\[C@H](O)C(=O)N[C@@H]1C=CCCC1 1333109980 1170318354 /nfs/dbraw/zinc/31/83/54/1170318354.db2.gz IFKFNNCOJGTYMW-HTHZUMFQSA-N 0 0 195.262 1.148 10 0 ADAERN CC(=O)O[C@@H](C)Sc1ncco1 1333283286 1170318870 /nfs/dbraw/zinc/31/88/70/1170318870.db2.gz HPSZCTIHSVKGBU-ZCFIWIBFSA-N 0 0 187.220 1.676 10 0 ADAERN COC/C(C)=C/C[N@H+]1CC=CCC1 1333196376 1170318967 /nfs/dbraw/zinc/31/89/67/1170318967.db2.gz SVMMWZFKQPHLOQ-IZZDOVSWSA-N 0 0 181.279 1.841 10 0 ADAERN CC(=O)O[C@H](C)S[C@H](C)CO 1333283230 1170319394 /nfs/dbraw/zinc/31/93/94/1170319394.db2.gz GZMHUMGGYMKZMF-VDTYLAMSSA-N 0 0 178.253 1.010 10 0 ADAERN CC(=O)O[C@H](C)S[C@@H](C)CO 1333283227 1170319513 /nfs/dbraw/zinc/31/95/13/1170319513.db2.gz GZMHUMGGYMKZMF-FSPLSTOPSA-N 0 0 178.253 1.010 10 0 ADAERN O=C(CCF)N1Cc2cccnc2C1 1333282117 1170319601 /nfs/dbraw/zinc/31/96/01/1170319601.db2.gz LEXMBKXNSDYYRP-UHFFFAOYSA-N 0 0 194.209 1.283 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)CC1(C)COC1 1333195939 1170319830 /nfs/dbraw/zinc/31/98/30/1170319830.db2.gz PMDYXMJALYDLQZ-RKDXNWHRSA-N 0 0 197.278 1.185 10 0 ADAERN COCc1nnc([C@@H]2C[C@@H]2C(C)C)o1 1333127990 1170320000 /nfs/dbraw/zinc/32/00/00/1170320000.db2.gz PTDVYRYFJHDQIE-HTQZYQBOSA-N 0 0 196.250 1.976 10 0 ADAERN COCc1nnc([C@@H]2C[C@H]2C(C)C)o1 1333127992 1170320349 /nfs/dbraw/zinc/32/03/49/1170320349.db2.gz PTDVYRYFJHDQIE-JGVFFNPUSA-N 0 0 196.250 1.976 10 0 ADAERN CC(=O)O[C@@H](C)S[C@@H](C)CO 1333283220 1170320447 /nfs/dbraw/zinc/32/04/47/1170320447.db2.gz GZMHUMGGYMKZMF-CAHLUQPWSA-N 0 0 178.253 1.010 10 0 ADAERN COCc1nnc([C@H]2C[C@H]2C(C)C)o1 1333127995 1170320737 /nfs/dbraw/zinc/32/07/37/1170320737.db2.gz PTDVYRYFJHDQIE-YUMQZZPRSA-N 0 0 196.250 1.976 10 0 ADAERN CCOCCOCC[N@H+]1CC=CCC1 1333192697 1170320758 /nfs/dbraw/zinc/32/07/58/1170320758.db2.gz BMGGXUKPCWCXKK-UHFFFAOYSA-N 0 0 199.294 1.301 10 0 ADAERN CC(=O)O[C@H](C)Sc1ncco1 1333283274 1170320868 /nfs/dbraw/zinc/32/08/68/1170320868.db2.gz HPSZCTIHSVKGBU-LURJTMIESA-N 0 0 187.220 1.676 10 0 ADAERN COC/C(C)=C\C[N@H+]1CC=CCC1 1333196377 1170320876 /nfs/dbraw/zinc/32/08/76/1170320876.db2.gz SVMMWZFKQPHLOQ-WDZFZDKYSA-N 0 0 181.279 1.841 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)CC1(C)COC1 1333195937 1170321104 /nfs/dbraw/zinc/32/11/04/1170321104.db2.gz PMDYXMJALYDLQZ-DTWKUNHWSA-N 0 0 197.278 1.185 10 0 ADAERN Cc1nc(C)c(-c2cn[nH]c2)o1 1333232903 1170321240 /nfs/dbraw/zinc/32/12/40/1170321240.db2.gz LIXAJKSSMGSVOI-UHFFFAOYSA-N 0 0 163.180 1.682 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)CC1(C)COC1 1333195936 1170321382 /nfs/dbraw/zinc/32/13/82/1170321382.db2.gz PMDYXMJALYDLQZ-BDAKNGLRSA-N 0 0 197.278 1.185 10 0 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CC[C@H](F)C(=O)N1CC[C@H](C)[C@@H]1C 1335838721 1170358527 /nfs/dbraw/zinc/35/85/27/1170358527.db2.gz FKJXAUVASUWKHP-CIUDSAMLSA-N 0 0 187.258 1.991 10 0 ADAERN CCC(=O)OCCOC(F)(F)F 1335765028 1170358896 /nfs/dbraw/zinc/35/88/96/1170358896.db2.gz QHJKABUZUVFDDL-UHFFFAOYSA-N 0 0 186.129 1.476 10 0 ADAERN CC[C@H](F)C(=O)N1CC[C@@H](C)[C@@H]1C 1335838723 1170359658 /nfs/dbraw/zinc/35/96/58/1170359658.db2.gz FKJXAUVASUWKHP-VGMNWLOBSA-N 0 0 187.258 1.991 10 0 ADAERN CC[C@H](F)C(=O)N1CC[C@H](C)[C@H]1C 1335838724 1170360196 /nfs/dbraw/zinc/36/01/96/1170360196.db2.gz FKJXAUVASUWKHP-YIZRAAEISA-N 0 0 187.258 1.991 10 0 ADAERN C=CC(=O)N[C@H]1CCCC[C@H]1F 1335866273 1170361035 /nfs/dbraw/zinc/36/10/35/1170361035.db2.gz HZEGGXAXPUAQLR-SFYZADRCSA-N 0 0 171.215 1.569 10 0 ADAERN CC[C@H](F)C(=O)N(CC)CCOC 1335919069 1170361066 /nfs/dbraw/zinc/36/10/66/1170361066.db2.gz FIKYVPNOQIRLES-QMMMGPOBSA-N 0 0 191.246 1.229 10 0 ADAERN CC/C=C/CNC(=O)[C@H](F)CC 1335935205 1170361155 /nfs/dbraw/zinc/36/11/55/1170361155.db2.gz GXAOIZYTPLWZJN-HQZHTGGTSA-N 0 0 173.231 1.817 10 0 ADAERN CC[C@@H](F)C(=O)N(CC)CCOC 1335919068 1170361345 /nfs/dbraw/zinc/36/13/45/1170361345.db2.gz FIKYVPNOQIRLES-MRVPVSSYSA-N 0 0 191.246 1.229 10 0 ADAERN CC[C@H](F)C(=O)N1CC(F)(F)C1 1335888234 1170361716 /nfs/dbraw/zinc/36/17/16/1170361716.db2.gz DENPRLIJRFCSLE-YFKPBYRVSA-N 0 0 181.157 1.212 10 0 ADAERN CC/C=C/CNC(=O)[C@@H](F)CC 1335935204 1170362163 /nfs/dbraw/zinc/36/21/63/1170362163.db2.gz GXAOIZYTPLWZJN-GJIOHYHPSA-N 0 0 173.231 1.817 10 0 ADAERN CC/C=C\CNC(=O)[C@H](F)CC 1335935206 1170362304 /nfs/dbraw/zinc/36/23/04/1170362304.db2.gz GXAOIZYTPLWZJN-RPSMYOMKSA-N 0 0 173.231 1.817 10 0 ADAERN C=CC(=O)N1CC(OC(C)(C)CC)C1 1335867576 1170362344 /nfs/dbraw/zinc/36/23/44/1170362344.db2.gz SXTZBTCQHFBNSU-UHFFFAOYSA-N 0 0 197.278 1.588 10 0 ADAERN CC[C@@H](F)C(=O)N1CC(F)(F)C1 1335888233 1170362367 /nfs/dbraw/zinc/36/23/67/1170362367.db2.gz DENPRLIJRFCSLE-RXMQYKEDSA-N 0 0 181.157 1.212 10 0 ADAERN CC/C=C\CNC(=O)[C@@H](F)CC 1335935208 1170362414 /nfs/dbraw/zinc/36/24/14/1170362414.db2.gz GXAOIZYTPLWZJN-SLGIHZDVSA-N 0 0 173.231 1.817 10 0 ADAERN C=CC(=O)Nc1c(C)noc1CC 1335860009 1170362990 /nfs/dbraw/zinc/36/29/90/1170362990.db2.gz FPQGZFNNPRJNNQ-UHFFFAOYSA-N 0 0 180.207 1.670 10 0 ADAERN O=C(c1ccns1)N1CC=CC1 1335951228 1170363736 /nfs/dbraw/zinc/36/37/36/1170363736.db2.gz FXYRFWMUZOPIIZ-UHFFFAOYSA-N 0 0 180.232 1.155 10 0 ADAERN CO[C@H]1CCC[C@H]1C(=O)N1CC=CC1 1335992566 1170364693 /nfs/dbraw/zinc/36/46/93/1170364693.db2.gz CJKYHZUDADFCBG-ZJUUUORDSA-N 0 0 195.262 1.200 10 0 ADAERN C[C@H]1CCN1C(=O)[C@@H]1[C@H]2CCCO[C@H]21 1336053036 1170365175 /nfs/dbraw/zinc/36/51/75/1170365175.db2.gz HUDBJHHMOIZLQI-SGIHWFKDSA-N 0 0 195.262 1.032 10 0 ADAERN CO[C@H]1CCC[C@@H]1C(=O)N1CC=CC1 1335992564 1170365712 /nfs/dbraw/zinc/36/57/12/1170365712.db2.gz CJKYHZUDADFCBG-UWVGGRQHSA-N 0 0 195.262 1.200 10 0 ADAERN CO[C@@H]1CCC[C@H]1C(=O)N1CC=CC1 1335992563 1170366397 /nfs/dbraw/zinc/36/63/97/1170366397.db2.gz CJKYHZUDADFCBG-NXEZZACHSA-N 0 0 195.262 1.200 10 0 ADAERN CO[C@@H]1CCC[C@@H]1C(=O)N1CC=CC1 1335992565 1170366416 /nfs/dbraw/zinc/36/64/16/1170366416.db2.gz CJKYHZUDADFCBG-VHSXEESVSA-N 0 0 195.262 1.200 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)NCC(C)(C)[C@@H](C)O 1336222965 1170368397 /nfs/dbraw/zinc/36/83/97/1170368397.db2.gz FPQIHHLPKGDFJA-IWSPIJDZSA-N 0 0 199.294 1.166 10 0 ADAERN C[C@H](O)C(C)(C)CNC(=O)[C@@H]1C[C@H]1C 1336222964 1170369123 /nfs/dbraw/zinc/36/91/23/1170369123.db2.gz FPQIHHLPKGDFJA-HRDYMLBCSA-N 0 0 199.294 1.166 10 0 ADAERN CC[C@H](C)N=c1nc[nH]n1CC1CC1 1336430864 1170370649 /nfs/dbraw/zinc/37/06/49/1170370649.db2.gz DCYWWVDIXOGDQH-QMMMGPOBSA-N 0 0 194.282 1.320 10 0 ADAERN CC[C@@H](C)N=c1nc[nH]n1CC1CC1 1336430863 1170371306 /nfs/dbraw/zinc/37/13/06/1170371306.db2.gz DCYWWVDIXOGDQH-MRVPVSSYSA-N 0 0 194.282 1.320 10 0 ADAERN CCc1ncoc1C(=O)N1CC=CC1 1336518810 1170373909 /nfs/dbraw/zinc/37/39/09/1170373909.db2.gz BGXBLSPNMSFFHU-UHFFFAOYSA-N 0 0 192.218 1.249 10 0 ADAERN C=CC(=O)N1CCc2c(F)cccc21 1336675018 1170376501 /nfs/dbraw/zinc/37/65/01/1170376501.db2.gz COXXNAXARWPHLI-UHFFFAOYSA-N 0 0 191.205 1.901 10 0 ADAERN CCn1ncnc1N1CCC=C(C)C1 1336621782 1170376774 /nfs/dbraw/zinc/37/67/74/1170376774.db2.gz DHEPPSTUPNSHHD-UHFFFAOYSA-N 0 0 192.266 1.454 10 0 ADAERN C=CC(=O)NCc1ccnc(F)c1 1336680987 1170377323 /nfs/dbraw/zinc/37/73/23/1170377323.db2.gz IIBXVICPXUGOCO-UHFFFAOYSA-N 0 0 180.182 1.023 10 0 ADAERN C=CC(=O)NCCCC1CCOCC1 1336675796 1170377348 /nfs/dbraw/zinc/37/73/48/1170377348.db2.gz IJBUUCGIUGZTFE-UHFFFAOYSA-N 0 0 197.278 1.495 10 0 ADAERN C=CC(=O)N[C@]12C[C@H]1COC21CCC1 1336681451 1170377536 /nfs/dbraw/zinc/37/75/36/1170377536.db2.gz LAKZOFGNUDEUNJ-GZMMTYOYSA-N 0 0 193.246 1.000 10 0 ADAERN C=CC(=O)Nc1cnc(C)c(C)c1 1336680357 1170378242 /nfs/dbraw/zinc/37/82/42/1170378242.db2.gz CSVQVCOUUUXILH-UHFFFAOYSA-N 0 0 176.219 1.823 10 0 ADAERN C=CC(=O)N1CC(C)(CC(F)F)C1 1336701330 1170378341 /nfs/dbraw/zinc/37/83/41/1170378341.db2.gz FUEHILSYUVCMRV-UHFFFAOYSA-N 0 0 189.205 1.676 10 0 ADAERN C=CC(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 1336705054 1170379086 /nfs/dbraw/zinc/37/90/86/1170379086.db2.gz GDNJNSJYDDEWCO-HRDYMLBCSA-N 0 0 165.236 1.477 10 0 ADAERN C=CC(=O)N[C@@H]1C[C@@H]2CCC[C@H]21 1336705053 1170379134 /nfs/dbraw/zinc/37/91/34/1170379134.db2.gz GDNJNSJYDDEWCO-DJLDLDEBSA-N 0 0 165.236 1.477 10 0 ADAERN C=CC(=O)N[C@@H]1C[C@H]2CCC[C@H]21 1336705055 1170379162 /nfs/dbraw/zinc/37/91/62/1170379162.db2.gz GDNJNSJYDDEWCO-IWSPIJDZSA-N 0 0 165.236 1.477 10 0 ADAERN C=CC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 1336701622 1170379225 /nfs/dbraw/zinc/37/92/25/1170379225.db2.gz KPXJYIVNWFTNEQ-KYZUINATSA-N 0 0 197.278 1.635 10 0 ADAERN C[C@@H](NC(=O)CC(C)(C)O)C1(C)CC1 1336731543 1170379409 /nfs/dbraw/zinc/37/94/09/1170379409.db2.gz JWZJLOWXFMIMNC-MRVPVSSYSA-N 0 0 199.294 1.452 10 0 ADAERN C=CC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]21 1336705057 1170379486 /nfs/dbraw/zinc/37/94/86/1170379486.db2.gz GDNJNSJYDDEWCO-XHNCKOQMSA-N 0 0 165.236 1.477 10 0 ADAERN C=CC(=O)NCCc1cnccc1C 1336702010 1170379593 /nfs/dbraw/zinc/37/95/93/1170379593.db2.gz MIIXZCXOUYSTAI-UHFFFAOYSA-N 0 0 190.246 1.235 10 0 ADAERN C=CC(=O)NCC(C)(C)C1CC1 1336706493 1170379663 /nfs/dbraw/zinc/37/96/63/1170379663.db2.gz VEXAVHDWRNZICM-UHFFFAOYSA-N 0 0 167.252 1.725 10 0 ADAERN C=CC(=O)NCc1cc(C2CC2)no1 1336704751 1170379873 /nfs/dbraw/zinc/37/98/73/1170379873.db2.gz CVGXZQDJBLMKQR-UHFFFAOYSA-N 0 0 192.218 1.354 10 0 ADAERN C[C@H](NC(=O)CC(C)(C)O)C1(C)CC1 1336731544 1170380254 /nfs/dbraw/zinc/38/02/54/1170380254.db2.gz JWZJLOWXFMIMNC-QMMMGPOBSA-N 0 0 199.294 1.452 10 0 ADAERN CC(C)C(=O)N1C[C@@H](C)OCC[C@H]1C 1336860311 1170382129 /nfs/dbraw/zinc/38/21/29/1170382129.db2.gz RRBNRJIVVARXPA-NXEZZACHSA-N 0 0 199.294 1.668 10 0 ADAERN Fc1cc(N2CC(F)(F)C2)ncn1 1336990746 1170386612 /nfs/dbraw/zinc/38/66/12/1170386612.db2.gz GLLLHNHZCCTLRI-UHFFFAOYSA-N 0 0 189.140 1.071 10 0 ADAERN Cc1cc(=O)[nH]c(N[C@H]2CC[C@@H]2C)n1 1337157821 1170387952 /nfs/dbraw/zinc/38/79/52/1170387952.db2.gz GBMYXQDZYDXVES-XPUUQOCRSA-N 0 0 193.250 1.701 10 0 ADAERN Cc1cc(=O)[nH]c(N[C@@H]2CC[C@@H]2C)n1 1337157817 1170388297 /nfs/dbraw/zinc/38/82/97/1170388297.db2.gz GBMYXQDZYDXVES-POYBYMJQSA-N 0 0 193.250 1.701 10 0 ADAERN CC[C@H](F)C(=O)NC1CC=CC1 1337249832 1170388727 /nfs/dbraw/zinc/38/87/27/1170388727.db2.gz GNYWUJCMXSWQAI-QMMMGPOBSA-N 0 0 171.215 1.569 10 0 ADAERN Cc1cc(=O)[nH]c(N[C@H]2CC[C@H]2C)n1 1337157819 1170388868 /nfs/dbraw/zinc/38/88/68/1170388868.db2.gz GBMYXQDZYDXVES-SVRRBLITSA-N 0 0 193.250 1.701 10 0 ADAERN CC[C@@H](F)C(=O)NC1CC=CC1 1337249831 1170389327 /nfs/dbraw/zinc/38/93/27/1170389327.db2.gz GNYWUJCMXSWQAI-MRVPVSSYSA-N 0 0 171.215 1.569 10 0 ADAERN Cc1cc(=O)[nH]c(N[C@@H]2CC[C@H]2C)n1 1337157814 1170389473 /nfs/dbraw/zinc/38/94/73/1170389473.db2.gz GBMYXQDZYDXVES-HTRCEHHLSA-N 0 0 193.250 1.701 10 0 ADAERN O=C(C1=COCC1)N1CCCSC1 1337388521 1170390405 /nfs/dbraw/zinc/39/04/05/1170390405.db2.gz BROMNUKWPSHFSO-UHFFFAOYSA-N 0 0 199.275 1.214 10 0 ADAERN CC[C@H](F)C(=O)N1C[C@H]2C[C@H]2C1 1337360250 1170390514 /nfs/dbraw/zinc/39/05/14/1170390514.db2.gz CLOQXZWNHQSTBP-RNJXMRFFSA-N 0 0 171.215 1.213 10 0 ADAERN CC1=NO[C@](C)(C(=O)N2CC[C@H]2C)C1 1337408166 1170391192 /nfs/dbraw/zinc/39/11/92/1170391192.db2.gz CXGVRQICGULRHS-SCZZXKLOSA-N 0 0 196.250 1.162 10 0 ADAERN CC[C@@H](F)C(=O)N1C[C@H]2C[C@H]2C1 1337360239 1170391214 /nfs/dbraw/zinc/39/12/14/1170391214.db2.gz CLOQXZWNHQSTBP-GJMOJQLCSA-N 0 0 171.215 1.213 10 0 ADAERN CC1=NO[C@@](C)(C(=O)N2CC[C@@H]2C)C1 1337408167 1170391320 /nfs/dbraw/zinc/39/13/20/1170391320.db2.gz CXGVRQICGULRHS-WCBMZHEXSA-N 0 0 196.250 1.162 10 0 ADAERN C/C=C(/C)C(=O)N1CCCSC1 1337388596 1170391537 /nfs/dbraw/zinc/39/15/37/1170391537.db2.gz FEKMAWRFMCQZFZ-BAQGIRSFSA-N 0 0 185.292 1.876 10 0 ADAERN CC1=NO[C@@](C)(C(=O)N2CC[C@H]2C)C1 1337408164 1170391649 /nfs/dbraw/zinc/39/16/49/1170391649.db2.gz CXGVRQICGULRHS-PSASIEDQSA-N 0 0 196.250 1.162 10 0 ADAERN CC1=NO[C@](C)(C(=O)N2CC[C@@H]2C)C1 1337408169 1170391931 /nfs/dbraw/zinc/39/19/31/1170391931.db2.gz CXGVRQICGULRHS-WPRPVWTQSA-N 0 0 196.250 1.162 10 0 ADAERN CC[C@H](F)C(=O)N1CC[C@@H](F)C1 1337299094 1170392106 /nfs/dbraw/zinc/39/21/06/1170392106.db2.gz BZYFGUQLSMIYGU-RQJHMYQMSA-N 0 0 177.194 1.305 10 0 ADAERN C/C=C(\C)C(=O)N1CCCSC1 1337388597 1170392213 /nfs/dbraw/zinc/39/22/13/1170392213.db2.gz FEKMAWRFMCQZFZ-FPYGCLRLSA-N 0 0 185.292 1.876 10 0 ADAERN CC[C@@H](F)C(=O)N1CC[C@@H](F)C1 1337299093 1170392918 /nfs/dbraw/zinc/39/29/18/1170392918.db2.gz BZYFGUQLSMIYGU-RNFRBKRXSA-N 0 0 177.194 1.305 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NCC(C)(C)[C@@H](C)O 1337537029 1170393383 /nfs/dbraw/zinc/39/33/83/1170393383.db2.gz FPQIHHLPKGDFJA-YIZRAAEISA-N 0 0 199.294 1.166 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CCCSC1 1337444499 1170393913 /nfs/dbraw/zinc/39/39/13/1170393913.db2.gz NMWWRKOWMODDAY-RKDXNWHRSA-N 0 0 199.319 1.956 10 0 ADAERN Cc1cc(=O)n(Cc2ccccn2)[n-]1 1337553974 1170394688 /nfs/dbraw/zinc/39/46/88/1170394688.db2.gz 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CCn1cccc1C(=O)N(C)C1CC1 1347325688 1170491811 /nfs/dbraw/zinc/49/18/11/1170491811.db2.gz AGZFLGHLTCSSKX-UHFFFAOYSA-N 0 0 192.262 1.742 10 0 ADAERN COC/C=C\C(=O)O[C@H](C)C(C)C 1347230137 1170491813 /nfs/dbraw/zinc/49/18/13/1170491813.db2.gz DQPFGUGTRWSSCO-SSJHQANKSA-N 0 0 186.251 1.777 10 0 ADAERN c1cc(OCC[C@H]2CCOC2)cnn1 1347251705 1170491843 /nfs/dbraw/zinc/49/18/43/1170491843.db2.gz FGRFAYCMENBDBM-SECBINFHSA-N 0 0 194.234 1.282 10 0 ADAERN Cc1cocc1C(=O)OC[C@@H]1CCO1 1347273923 1170491855 /nfs/dbraw/zinc/49/18/55/1170491855.db2.gz JJEBXEJRMBOKQE-QMMMGPOBSA-N 0 0 196.202 1.534 10 0 ADAERN c1cc(OCC[C@@H]2CCOC2)cnn1 1347251706 1170491863 /nfs/dbraw/zinc/49/18/63/1170491863.db2.gz FGRFAYCMENBDBM-VIFPVBQESA-N 0 0 194.234 1.282 10 0 ADAERN CCN(OC)C(=O)/C=C/[C@H]1CCCO1 1347389380 1170492307 /nfs/dbraw/zinc/49/23/07/1170492307.db2.gz DXQJTMUWJUKXQK-XCODYQFDSA-N 0 0 199.250 1.132 10 0 ADAERN O=C([C@@H]1C[C@H]1F)N1OC2CCC1CC2 1347464130 1170492885 /nfs/dbraw/zinc/49/28/85/1170492885.db2.gz 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O=C([C@H]1C[C@H]1F)N1OC2CCC1CC2 1347464129 1170493816 /nfs/dbraw/zinc/49/38/16/1170493816.db2.gz UBIDPLDLURUFGE-ABIFROTESA-N 0 0 199.225 1.429 10 0 ADAERN C=C=CCNC(=O)NCCCCF 1347619283 1170494069 /nfs/dbraw/zinc/49/40/69/1170494069.db2.gz WUDAOQQLZIVGFV-UHFFFAOYSA-N 0 0 186.230 1.376 10 0 ADAERN C[C@@H]1CC=CC[C@H]1NC(=O)[C@H]1C[C@H]1F 1347754769 1170494645 /nfs/dbraw/zinc/49/46/45/1170494645.db2.gz DVRMCVHCDKZPRC-UTINFBMNSA-N 0 0 197.253 1.815 10 0 ADAERN CCN(OC)C(=O)Cc1ccc(C)o1 1347724273 1170494919 /nfs/dbraw/zinc/49/49/19/1170494919.db2.gz DZTULJFAGRQKTF-UHFFFAOYSA-N 0 0 197.234 1.540 10 0 ADAERN C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H]1C[C@H]1F 1347754771 1170495072 /nfs/dbraw/zinc/49/50/72/1170495072.db2.gz DVRMCVHCDKZPRC-ZYUZMQFOSA-N 0 0 197.253 1.815 10 0 ADAERN C[C@@H]1CC=CC[C@H]1NC(=O)[C@H]1C[C@@H]1F 1347754770 1170495192 /nfs/dbraw/zinc/49/51/92/1170495192.db2.gz DVRMCVHCDKZPRC-XFWSIPNHSA-N 0 0 197.253 1.815 10 0 ADAERN C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H]1C[C@@H]1F 1347754768 1170495211 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/nfs/dbraw/zinc/49/75/84/1170497584.db2.gz JCTGRHDVQGZRBF-SECBINFHSA-N 0 0 198.262 1.612 10 0 ADAERN CCC/C=C/C(=O)OCC1COC1 1347960311 1170497662 /nfs/dbraw/zinc/49/76/62/1170497662.db2.gz HCPHANWYQBEBKZ-SNAWJCMRSA-N 0 0 184.235 1.532 10 0 ADAERN CCC(=O)N(Cc1ccc(C)o1)OC 1347845526 1170497728 /nfs/dbraw/zinc/49/77/28/1170497728.db2.gz CFGBSVOEGMLHSI-UHFFFAOYSA-N 0 0 197.234 1.888 10 0 ADAERN CC1(C)CC[C@H]1C(=O)OCC1COC1 1347960703 1170497781 /nfs/dbraw/zinc/49/77/81/1170497781.db2.gz JCTGRHDVQGZRBF-VIFPVBQESA-N 0 0 198.262 1.612 10 0 ADAERN CC/C(C)=C\C(=O)NOCC1CC1 1347870023 1170497809 /nfs/dbraw/zinc/49/78/09/1170497809.db2.gz GQKNPVYBVYACCJ-VURMDHGXSA-N 0 0 183.251 1.801 10 0 ADAERN CCC/C=C\C(=O)OCC1COC1 1347960310 1170497907 /nfs/dbraw/zinc/49/79/07/1170497907.db2.gz HCPHANWYQBEBKZ-PLNGDYQASA-N 0 0 184.235 1.532 10 0 ADAERN CC1(C(=O)OCC2COC2)CCCC1 1347948466 1170497999 /nfs/dbraw/zinc/49/79/99/1170497999.db2.gz HUVOBWVXFOLBHP-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN 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/nfs/dbraw/zinc/59/25/50/1170592550.db2.gz CFDYNTVYCCCEBO-FSIBCCDJSA-N 0 0 177.247 1.954 10 0 ADAERN CCO/C=C\C(=O)NC/C=C/Cl 1472262571 1170592600 /nfs/dbraw/zinc/59/26/00/1170592600.db2.gz CIWDEQLHVVOXEQ-AECUNDDTSA-N 0 0 189.642 1.405 10 0 ADAERN C=C/C=C\CC(=O)N[C@@H]1C=CCC1 1469908379 1170592669 /nfs/dbraw/zinc/59/26/69/1170592669.db2.gz CFDYNTVYCCCEBO-UMBAGQNISA-N 0 0 177.247 1.954 10 0 ADAERN CCO/C=C\C(=O)N[C@@]12CCC[C@@H]1C2 1472032778 1170592768 /nfs/dbraw/zinc/59/27/68/1170592768.db2.gz RGADUJIACRKBIH-PHHYPKRSSA-N 0 0 195.262 1.595 10 0 ADAERN C=C/C=C/CC(=O)N[C@@H](C)C(C)(C)O 1472300608 1170592821 /nfs/dbraw/zinc/59/28/21/1170592821.db2.gz KXFWIBXEFYFNQZ-UCUJLANTSA-N 0 0 197.278 1.394 10 0 ADAERN C/C=C\C(=O)Nc1ncccc1CO 1470747610 1170592953 /nfs/dbraw/zinc/59/29/53/1170592953.db2.gz FKGYYFLZWWJOGR-RQOWECAXSA-N 0 0 192.218 1.089 10 0 ADAERN Cc1nc(NC(=O)C(C)(C)O)oc1C 1470256230 1170592972 /nfs/dbraw/zinc/59/29/72/1170592972.db2.gz AWOIOYMBQNFWML-UHFFFAOYSA-N 0 0 198.222 1.001 10 0 ADAERN CN(CC1=NOCC1)Cc1ccoc1 1473118210 1170593973 /nfs/dbraw/zinc/59/39/73/1170593973.db2.gz YZAXSETXNCXCAA-UHFFFAOYSA-N 0 0 194.234 1.488 10 0 ADAERN C[C@H](O)[C@H](C)N1OC2CCC1CC2 1473727486 1170596687 /nfs/dbraw/zinc/59/66/87/1170596687.db2.gz DKCVMRUNKHZMCH-DKEVHCRPSA-N 0 0 185.267 1.314 10 0 ADAERN C[C@@H]([C@@H](C)O)N1OC2CCC1CC2 1473727485 1170596735 /nfs/dbraw/zinc/59/67/35/1170596735.db2.gz DKCVMRUNKHZMCH-AFWXGSBKSA-N 0 0 185.267 1.314 10 0 ADAERN CCON(CC)[C@@H](C)[C@H](C)O 1473728792 1170597757 /nfs/dbraw/zinc/59/77/57/1170597757.db2.gz VAWWALVYMIOPLO-YUMQZZPRSA-N 0 0 161.245 1.029 10 0 ADAERN CCON(CC)[C@H](C)[C@H](C)O 1473728791 1170598259 /nfs/dbraw/zinc/59/82/59/1170598259.db2.gz VAWWALVYMIOPLO-SFYZADRCSA-N 0 0 161.245 1.029 10 0 ADAERN CON(CCF)Cc1ccc(C)o1 1473813423 1170598468 /nfs/dbraw/zinc/59/84/68/1170598468.db2.gz KCPBIRGERQSMGE-UHFFFAOYSA-N 0 0 187.214 1.921 10 0 ADAERN CCON(CC)[C@@H](C)[C@@H](C)O 1473728789 1170599007 /nfs/dbraw/zinc/59/90/07/1170599007.db2.gz 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1170603693 /nfs/dbraw/zinc/60/36/93/1170603693.db2.gz DFGBSDSQWRQDMS-UHFFFAOYSA-N 0 0 185.226 1.761 10 0 ADAERN CCCCCN1CC(NC(=O)CC)C1 1494333241 1170605452 /nfs/dbraw/zinc/60/54/52/1170605452.db2.gz QSKISHNJBSRMCJ-UHFFFAOYSA-N 0 0 198.310 1.387 10 0 ADAERN CC[C@@H](F)C(=O)N1CC[C@H]1C 1514550242 1170608620 /nfs/dbraw/zinc/60/86/20/1170608620.db2.gz DTMZGLWWTJDFHL-RNFRBKRXSA-N 0 0 159.204 1.355 10 0 ADAERN CC[C@@H](F)C(=O)N1CC[C@@H]1C 1514550239 1170609344 /nfs/dbraw/zinc/60/93/44/1170609344.db2.gz DTMZGLWWTJDFHL-NKWVEPMBSA-N 0 0 159.204 1.355 10 0 ADAERN CC[C@H](F)C(=O)N1CC[C@@H]1C 1514550209 1170609914 /nfs/dbraw/zinc/60/99/14/1170609914.db2.gz DTMZGLWWTJDFHL-BQBZGAKWSA-N 0 0 159.204 1.355 10 0 ADAERN CCCCn1c(C)nnc1N(C)OC 1514463585 1170610090 /nfs/dbraw/zinc/61/00/90/1170610090.db2.gz PBFWKADTXRHWGP-UHFFFAOYSA-N 0 0 198.270 1.384 10 0 ADAERN CC[C@H](F)C(=O)N1CC[C@H]1C 1514550244 1170610753 /nfs/dbraw/zinc/61/07/53/1170610753.db2.gz DTMZGLWWTJDFHL-RQJHMYQMSA-N 0 0 159.204 1.355 10 0 ADAERN C[C@H](NC(=O)c1ncc[nH]1)C1(C)CC1 1514815389 1170611548 /nfs/dbraw/zinc/61/15/48/1170611548.db2.gz NQCCUMSYSFZGFL-ZETCQYMHSA-N 0 0 193.250 1.328 10 0 ADAERN C[C@@H](NC(=O)c1ncc[nH]1)C1(C)CC1 1514815386 1170611740 /nfs/dbraw/zinc/61/17/40/1170611740.db2.gz NQCCUMSYSFZGFL-SSDOTTSWSA-N 0 0 193.250 1.328 10 0 ADAERN CC(C)COCCOC(=O)CCF 1514881553 1170612603 /nfs/dbraw/zinc/61/26/03/1170612603.db2.gz DLFFIBPQFDHVDE-UHFFFAOYSA-N 0 0 192.230 1.562 10 0 ADAERN CCOCCC(=O)OC1CSC1 1516786369 1170613747 /nfs/dbraw/zinc/61/37/47/1170613747.db2.gz CILNUEWUNPDENQ-UHFFFAOYSA-N 0 0 190.264 1.072 10 0 ADAERN CC(C)(C(=O)OC[C@H]1CCO1)C1CC1 1516952119 1170613763 /nfs/dbraw/zinc/61/37/63/1170613763.db2.gz FYUILCTUJPBGPT-SECBINFHSA-N 0 0 198.262 1.755 10 0 ADAERN CC/C=C/COC(=O)COC1CC1 1515653699 1170613861 /nfs/dbraw/zinc/61/38/61/1170613861.db2.gz NQRDIPGCBOVFLZ-ONEGZZNKSA-N 0 0 184.235 1.675 10 0 ADAERN O=C(OC1CSC1)[C@@H]1C[C@@H]2C[C@@H]2C1 1516806431 1170614199 /nfs/dbraw/zinc/61/41/99/1170614199.db2.gz JCHMBEOOAUXTDE-JIGDXULJSA-N 0 0 198.287 1.691 10 0 ADAERN CC/C=C\COC(=O)COC1CC1 1515653696 1170614316 /nfs/dbraw/zinc/61/43/16/1170614316.db2.gz NQRDIPGCBOVFLZ-ARJAWSKDSA-N 0 0 184.235 1.675 10 0 ADAERN O=C(OC[C@@H]1CCO1)c1nccs1 1516951760 1170614348 /nfs/dbraw/zinc/61/43/48/1170614348.db2.gz BYTAEEZJWRTUBR-LURJTMIESA-N 0 0 199.231 1.089 10 0 ADAERN CCOCCCOC(=O)[C@@H]1C[C@@H]1F 1516623080 1170614439 /nfs/dbraw/zinc/61/44/39/1170614439.db2.gz AWWNRLFBTAHVGZ-SFYZADRCSA-N 0 0 190.214 1.314 10 0 ADAERN COCC1CC(OC(=O)C2CCC2)C1 1515688574 1170614450 /nfs/dbraw/zinc/61/44/50/1170614450.db2.gz JMWMCYPTMLYUSM-UHFFFAOYSA-N 0 0 198.262 1.755 10 0 ADAERN CCOCCCOC(=O)[C@H]1C[C@@H]1F 1516623081 1170614603 /nfs/dbraw/zinc/61/46/03/1170614603.db2.gz AWWNRLFBTAHVGZ-YUMQZZPRSA-N 0 0 190.214 1.314 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)OC1CSC1 1516788375 1170614623 /nfs/dbraw/zinc/61/46/23/1170614623.db2.gz KXRSOSQUKQQMPH-HTRCEHHLSA-N 0 0 186.276 1.691 10 0 ADAERN CC(C)(C(=O)OC[C@@H]1CCO1)C1CC1 1516952121 1170614639 /nfs/dbraw/zinc/61/46/39/1170614639.db2.gz FYUILCTUJPBGPT-VIFPVBQESA-N 0 0 198.262 1.755 10 0 ADAERN O=C(OC[C@H]1CCO1)c1nccs1 1516951761 1170614737 /nfs/dbraw/zinc/61/47/37/1170614737.db2.gz BYTAEEZJWRTUBR-ZCFIWIBFSA-N 0 0 199.231 1.089 10 0 ADAERN CCOCCCOC(=O)[C@@H]1C[C@H]1F 1516623063 1170614950 /nfs/dbraw/zinc/61/49/50/1170614950.db2.gz AWWNRLFBTAHVGZ-HTQZYQBOSA-N 0 0 190.214 1.314 10 0 ADAERN CCOCCCOC(=O)[C@H]1C[C@H]1F 1516623079 1170614957 /nfs/dbraw/zinc/61/49/57/1170614957.db2.gz AWWNRLFBTAHVGZ-JGVFFNPUSA-N 0 0 190.214 1.314 10 0 ADAERN C[C@@H]1CC(C(=O)N(C)C#N)C[C@@H](C)C1 1517614509 1170615632 /nfs/dbraw/zinc/61/56/32/1170615632.db2.gz GJIUSZONOHMTNC-IUCAKERBSA-N 0 0 194.278 1.998 10 0 ADAERN C/C=C(\CC)C(=O)OC[C@@H]1CCO1 1516954603 1170615639 /nfs/dbraw/zinc/61/56/39/1170615639.db2.gz WKKIXJSYTFOZJH-IPQKIJNHSA-N 0 0 184.235 1.675 10 0 ADAERN COC1(C(=O)N(C)C#N)CCCCC1 1517614430 1170615663 /nfs/dbraw/zinc/61/56/63/1170615663.db2.gz FYJYDBHQSFCQHX-UHFFFAOYSA-N 0 0 196.250 1.275 10 0 ADAERN O=C(Cc1ccco1)OC[C@H]1CCO1 1516953272 1170615722 /nfs/dbraw/zinc/61/57/22/1170615722.db2.gz MWTJWTNQGNUUEP-SECBINFHSA-N 0 0 196.202 1.154 10 0 ADAERN Cc1cc(C(=O)N(C)C#N)oc1C 1517615457 1170615755 /nfs/dbraw/zinc/61/57/55/1170615755.db2.gz KSQPPENGJXXJBW-UHFFFAOYSA-N 0 0 178.191 1.450 10 0 ADAERN CCc1cccnc1C(=O)N(C)C#N 1517617362 1170615833 /nfs/dbraw/zinc/61/58/33/1170615833.db2.gz UXRBEMULGLNNDQ-UHFFFAOYSA-N 0 0 189.218 1.197 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H](C(=O)N(C)C#N)C1 1517614514 1170615865 /nfs/dbraw/zinc/61/58/65/1170615865.db2.gz GJIUSZONOHMTNC-MYJAWHEDSA-N 0 0 194.278 1.998 10 0 ADAERN O=C(OC[C@H]1CCO1)c1ccsn1 1516953700 1170615912 /nfs/dbraw/zinc/61/59/12/1170615912.db2.gz RDHUDFUDVJQILW-ZCFIWIBFSA-N 0 0 199.231 1.089 10 0 ADAERN CC(C)c1cc(C(=O)N(C)C#N)no1 1517615005 1170615936 /nfs/dbraw/zinc/61/59/36/1170615936.db2.gz IMZNWIUUJCBACH-UHFFFAOYSA-N 0 0 193.206 1.351 10 0 ADAERN O=C(OC[C@H]1CCO1)C1CC2(CC2)C1 1516954887 1170616016 /nfs/dbraw/zinc/61/60/16/1170616016.db2.gz YNDSQRMXCFBAFC-SECBINFHSA-N 0 0 196.246 1.509 10 0 ADAERN CC[C@H](C)CC(=O)OC[C@@H]1CCO1 1516954884 1170616088 /nfs/dbraw/zinc/61/60/88/1170616088.db2.gz YMBSNEKQCJCRAY-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN C/C=C(/CC)C(=O)OC[C@H]1CCO1 1516954605 1170616134 /nfs/dbraw/zinc/61/61/34/1170616134.db2.gz WKKIXJSYTFOZJH-PTDYZRSTSA-N 0 0 184.235 1.675 10 0 ADAERN C[C@H]1CC(C(=O)N(C)C#N)C[C@H](C)C1 1517614516 1170616156 /nfs/dbraw/zinc/61/61/56/1170616156.db2.gz GJIUSZONOHMTNC-RKDXNWHRSA-N 0 0 194.278 1.998 10 0 ADAERN CC1=C(C(=O)N(C)C#N)CCC1 1517618066 1170616229 /nfs/dbraw/zinc/61/62/29/1170616229.db2.gz XPINVWXIGXHYPR-UHFFFAOYSA-N 0 0 164.208 1.426 10 0 ADAERN O=C(C[C@@H]1C=CCC1)OC[C@H]1CCO1 1516972602 1170616240 /nfs/dbraw/zinc/61/62/40/1170616240.db2.gz HDMTWJXXLQTSKW-NXEZZACHSA-N 0 0 196.246 1.675 10 0 ADAERN Cc1ncc(C(=O)N(C)C#N)s1 1517613979 1170616260 /nfs/dbraw/zinc/61/62/60/1170616260.db2.gz CXDFMUDAECXOSZ-UHFFFAOYSA-N 0 0 181.220 1.005 10 0 ADAERN C/C=C(\CC)C(=O)OC[C@H]1CCO1 1516954607 1170616284 /nfs/dbraw/zinc/61/62/84/1170616284.db2.gz WKKIXJSYTFOZJH-QZGLAHODSA-N 0 0 184.235 1.675 10 0 ADAERN CC(C)SCC(=O)N(C)C#N 1517602333 1170616303 /nfs/dbraw/zinc/61/63/03/1170616303.db2.gz XGSLYQRDDBHTDH-UHFFFAOYSA-N 0 0 172.253 1.067 10 0 ADAERN O=C(OCC1COC1)C1(C2CC2)CC1 1518016462 1170616341 /nfs/dbraw/zinc/61/63/41/1170616341.db2.gz AAHCOWUWVSUYOD-UHFFFAOYSA-N 0 0 196.246 1.366 10 0 ADAERN O=C(CCC(F)F)OCC1COC1 1518019283 1170616552 /nfs/dbraw/zinc/61/65/52/1170616552.db2.gz ZRFFAQRCTOTNSO-UHFFFAOYSA-N 0 0 194.177 1.221 10 0 ADAERN CN(C#N)C(=O)C1(C)CCC1 1517614415 1170616570 /nfs/dbraw/zinc/61/65/70/1170616570.db2.gz FNLBPFMFDHTKIA-UHFFFAOYSA-N 0 0 152.197 1.116 10 0 ADAERN O=C(C[C@H]1C=CCC1)OC[C@@H]1CCO1 1516972604 1170616634 /nfs/dbraw/zinc/61/66/34/1170616634.db2.gz HDMTWJXXLQTSKW-UWVGGRQHSA-N 0 0 196.246 1.675 10 0 ADAERN O=C(OCC1COC1)C1CC=CC1 1518017231 1170616644 /nfs/dbraw/zinc/61/66/44/1170616644.db2.gz HPZKUWZQVZIOIO-UHFFFAOYSA-N 0 0 182.219 1.142 10 0 ADAERN Cc1nc(C)c(C(=O)N(C)C#N)s1 1517599322 1170616710 /nfs/dbraw/zinc/61/67/10/1170616710.db2.gz IVTPCEWHMTZDLC-UHFFFAOYSA-N 0 0 195.247 1.313 10 0 ADAERN C/C=C(/CC)C(=O)OC[C@@H]1CCO1 1516954602 1170616721 /nfs/dbraw/zinc/61/67/21/1170616721.db2.gz WKKIXJSYTFOZJH-CHDHTGKKSA-N 0 0 184.235 1.675 10 0 ADAERN C[C@H]1CC[C@H](CCC(=O)N(C)C#N)O1 1517613989 1170616755 /nfs/dbraw/zinc/61/67/55/1170616755.db2.gz CXNBVWINPCSNGL-DTWKUNHWSA-N 0 0 196.250 1.274 10 0 ADAERN CC[C@H](C)CC(=O)OC[C@H]1CCO1 1516954883 1170616793 /nfs/dbraw/zinc/61/67/93/1170616793.db2.gz YMBSNEKQCJCRAY-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1cnc(F)c(C(=O)N(C)C#N)c1 1517618284 1170616819 /nfs/dbraw/zinc/61/68/19/1170616819.db2.gz XVJAGGLRMYGAKU-UHFFFAOYSA-N 0 0 193.181 1.082 10 0 ADAERN O=C(C[C@H]1C=CCC1)OC[C@H]1CCO1 1516972606 1170616835 /nfs/dbraw/zinc/61/68/35/1170616835.db2.gz HDMTWJXXLQTSKW-VHSXEESVSA-N 0 0 196.246 1.675 10 0 ADAERN CN(C#N)C(=O)CCCC(F)(F)F 1517616386 1170616878 /nfs/dbraw/zinc/61/68/78/1170616878.db2.gz OCTMZVQEGGTPEJ-UHFFFAOYSA-N 0 0 194.156 1.658 10 0 ADAERN Cc1ccoc1C(=O)N(C)C#N 1517600685 1170616881 /nfs/dbraw/zinc/61/68/81/1170616881.db2.gz MVTGJPRCMODPHB-UHFFFAOYSA-N 0 0 164.164 1.141 10 0 ADAERN CCC(CC)CC(=O)N(C)C#N 1517616384 1170616893 /nfs/dbraw/zinc/61/68/93/1170616893.db2.gz OAFLZKPVPIYPEX-UHFFFAOYSA-N 0 0 168.240 1.752 10 0 ADAERN C[C@@H](C(=O)N(C)C#N)c1ccccc1 1517615533 1170616932 /nfs/dbraw/zinc/61/69/32/1170616932.db2.gz LSNUWUOUAIUKJM-SECBINFHSA-N 0 0 188.230 1.730 10 0 ADAERN O=C(OC[C@@H]1CCO1)c1ccsn1 1516953698 1170616946 /nfs/dbraw/zinc/61/69/46/1170616946.db2.gz RDHUDFUDVJQILW-LURJTMIESA-N 0 0 199.231 1.089 10 0 ADAERN C[C@@H]1CC[C@H](CCC(=O)N(C)C#N)O1 1517613992 1170616958 /nfs/dbraw/zinc/61/69/58/1170616958.db2.gz CXNBVWINPCSNGL-RKDXNWHRSA-N 0 0 196.250 1.274 10 0 ADAERN CN(C#N)C(=O)C1CCSCC1 1517601364 1170616974 /nfs/dbraw/zinc/61/69/74/1170616974.db2.gz QHERNHYLDDWMKY-UHFFFAOYSA-N 0 0 184.264 1.069 10 0 ADAERN CC[C@@H](C)CC(=O)OC[C@@H]1CCO1 1516954882 1170616996 /nfs/dbraw/zinc/61/69/96/1170616996.db2.gz YMBSNEKQCJCRAY-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@](C)(O)CCOC(=O)C(C)C 1518050452 1170617020 /nfs/dbraw/zinc/61/70/20/1170617020.db2.gz ZJWKYFZTVYAJKX-JTQLQIEISA-N 0 0 188.267 1.737 10 0 ADAERN O=C(Cc1ccco1)OC[C@@H]1CCO1 1516953273 1170617034 /nfs/dbraw/zinc/61/70/34/1170617034.db2.gz MWTJWTNQGNUUEP-VIFPVBQESA-N 0 0 196.202 1.154 10 0 ADAERN CCc1ccnc(C(=O)N(C)C#N)c1 1517615080 1170617040 /nfs/dbraw/zinc/61/70/40/1170617040.db2.gz IYMVRQRVCLLQGK-UHFFFAOYSA-N 0 0 189.218 1.197 10 0 ADAERN O=C(OC[C@@H]1CCO1)[C@H]1C[C@@H]1C1CC1 1516953591 1170617059 /nfs/dbraw/zinc/61/70/59/1170617059.db2.gz OUYADOJETDHWLA-AEJSXWLSSA-N 0 0 196.246 1.365 10 0 ADAERN Cc1ccc(F)c(C(=O)N(C)C#N)c1 1517601304 1170617094 /nfs/dbraw/zinc/61/70/94/1170617094.db2.gz PRUPKTZVZWADEB-UHFFFAOYSA-N 0 0 192.193 1.687 10 0 ADAERN C[C@@H]1CC[C@@H](CCC(=O)N(C)C#N)O1 1517613981 1170617103 /nfs/dbraw/zinc/61/71/03/1170617103.db2.gz CXNBVWINPCSNGL-BDAKNGLRSA-N 0 0 196.250 1.274 10 0 ADAERN CC[C@@](C)(O)CCOC(=O)C(C)C 1518050469 1170617158 /nfs/dbraw/zinc/61/71/58/1170617158.db2.gz ZJWKYFZTVYAJKX-SNVBAGLBSA-N 0 0 188.267 1.737 10 0 ADAERN O=C(C[C@@H]1C=CCC1)OC[C@@H]1CCO1 1516972607 1170617186 /nfs/dbraw/zinc/61/71/86/1170617186.db2.gz HDMTWJXXLQTSKW-ZJUUUORDSA-N 0 0 196.246 1.675 10 0 ADAERN O=C(OC[C@@H]1CCO1)C1CC2(CC2)C1 1516954888 1170617287 /nfs/dbraw/zinc/61/72/87/1170617287.db2.gz YNDSQRMXCFBAFC-VIFPVBQESA-N 0 0 196.246 1.509 10 0 ADAERN O=C(OC[C@H]1CCO1)[C@H]1C[C@@H]1C1CC1 1516953593 1170617327 /nfs/dbraw/zinc/61/73/27/1170617327.db2.gz OUYADOJETDHWLA-BBBLOLIVSA-N 0 0 196.246 1.365 10 0 ADAERN CC[C@@H](C)CC(=O)OC[C@H]1CCO1 1516954885 1170617366 /nfs/dbraw/zinc/61/73/66/1170617366.db2.gz YMBSNEKQCJCRAY-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@H]1CC[C@@H](CCC(=O)N(C)C#N)O1 1517613990 1170617389 /nfs/dbraw/zinc/61/73/89/1170617389.db2.gz CXNBVWINPCSNGL-IUCAKERBSA-N 0 0 196.250 1.274 10 0 ADAERN C[C@@H]1CCOCCN1C(=O)C1(C)CC1 1518403825 1170617955 /nfs/dbraw/zinc/61/79/55/1170617955.db2.gz NIVNXPDIJBBUEL-SECBINFHSA-N 0 0 197.278 1.424 10 0 ADAERN C[C@H](OC(=O)[C@H]1C[C@H]1F)C(F)F 1518250583 1170618048 /nfs/dbraw/zinc/61/80/48/1170618048.db2.gz BUOZWKUZCUDLMI-VAYJURFESA-N 0 0 182.141 1.541 10 0 ADAERN CC(=O)NC[C@H]1C[C@@H]1C1CCCC1 1518866241 1170618077 /nfs/dbraw/zinc/61/80/77/1170618077.db2.gz MQDXETKLGQJFRG-GHMZBOCLSA-N 0 0 181.279 1.949 10 0 ADAERN CC(=O)NC[C@@H]1C[C@@H]1C1CCCC1 1518866244 1170618378 /nfs/dbraw/zinc/61/83/78/1170618378.db2.gz MQDXETKLGQJFRG-WDEREUQCSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H](OC(=O)[C@@H]1C[C@H]1F)C(F)F 1518250584 1170618599 /nfs/dbraw/zinc/61/85/99/1170618599.db2.gz BUOZWKUZCUDLMI-VPENINKCSA-N 0 0 182.141 1.541 10 0 ADAERN CC(=O)NC[C@@H]1OCc2ccccc21 1518938398 1170618783 /nfs/dbraw/zinc/61/87/83/1170618783.db2.gz RLUXZESAEUKKDD-NSHDSACASA-N 0 0 191.230 1.394 10 0 ADAERN CC(=O)NC[C@H]1C[C@H]1C1CCCC1 1518866242 1170618792 /nfs/dbraw/zinc/61/87/92/1170618792.db2.gz MQDXETKLGQJFRG-MNOVXSKESA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H](OC(=O)[C@H]1C[C@@H]1F)C(F)F 1518250586 1170618851 /nfs/dbraw/zinc/61/88/51/1170618851.db2.gz BUOZWKUZCUDLMI-YUPRTTJUSA-N 0 0 182.141 1.541 10 0 ADAERN CC(=O)C(C)(C)COC(=O)CCF 1518442075 1170619078 /nfs/dbraw/zinc/61/90/78/1170619078.db2.gz JSEHYSNKMMEXSN-UHFFFAOYSA-N 0 0 190.214 1.504 10 0 ADAERN C[C@H](OC(=O)[C@@H]1C[C@@H]1F)C(F)F 1518250578 1170619120 /nfs/dbraw/zinc/61/91/20/1170619120.db2.gz BUOZWKUZCUDLMI-LMVFSUKVSA-N 0 0 182.141 1.541 10 0 ADAERN CC(C)(C(=O)N1CCC1)C(F)(F)F 1519214719 1170619210 /nfs/dbraw/zinc/61/92/10/1170619210.db2.gz FTTJJOGTTAZMPQ-UHFFFAOYSA-N 0 0 195.184 1.807 10 0 ADAERN C[C@H]1CCOCCN1C(=O)C1(C)CC1 1518403848 1170619324 /nfs/dbraw/zinc/61/93/24/1170619324.db2.gz NIVNXPDIJBBUEL-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN CNC(=O)c1nc(C2CC2)cs1 1518849908 1170619341 /nfs/dbraw/zinc/61/93/41/1170619341.db2.gz BAJZGVBHPCZSAO-UHFFFAOYSA-N 0 0 182.248 1.380 10 0 ADAERN CC(=O)NC[C@@H]1C[C@H]1C1CCCC1 1518866243 1170619354 /nfs/dbraw/zinc/61/93/54/1170619354.db2.gz MQDXETKLGQJFRG-QWRGUYRKSA-N 0 0 181.279 1.949 10 0 ADAERN CC(=O)NC[C@H]1OCc2ccccc21 1518938385 1170619384 /nfs/dbraw/zinc/61/93/84/1170619384.db2.gz RLUXZESAEUKKDD-LLVKDONJSA-N 0 0 191.230 1.394 10 0 ADAERN O=C(CC1CC1)OC[C@@H]1CCO1 1519998384 1170620018 /nfs/dbraw/zinc/62/00/18/1170620018.db2.gz HLAXPWYSAFCWBW-QMMMGPOBSA-N 0 0 170.208 1.119 10 0 ADAERN CC/C=C(\C)C(=O)OC[C@@H]1CCO1 1519998966 1170620124 /nfs/dbraw/zinc/62/01/24/1170620124.db2.gz OITDVTHJXGFZNC-SGDMMICCSA-N 0 0 184.235 1.675 10 0 ADAERN CC/C=C(/C)C(=O)OC[C@@H]1CCO1 1519998965 1170620126 /nfs/dbraw/zinc/62/01/26/1170620126.db2.gz OITDVTHJXGFZNC-OTOXVQDCSA-N 0 0 184.235 1.675 10 0 ADAERN C/C=C(/C)C(=O)OC[C@H]1COC(=O)C1 1519366525 1170620275 /nfs/dbraw/zinc/62/02/75/1170620275.db2.gz NWFYTXVARFIMPT-LSFDQVSLSA-N 0 0 198.218 1.059 10 0 ADAERN O=C(CC1CC1)OC[C@H]1CCO1 1519998381 1170620377 /nfs/dbraw/zinc/62/03/77/1170620377.db2.gz HLAXPWYSAFCWBW-MRVPVSSYSA-N 0 0 170.208 1.119 10 0 ADAERN CCCc1nnc(N2CCCC2)n1C 1519597589 1170620463 /nfs/dbraw/zinc/62/04/63/1170620463.db2.gz HJNQSPIXKYPPJY-UHFFFAOYSA-N 0 0 194.282 1.368 10 0 ADAERN Cc1ccoc1C(=O)OC[C@@H]1CCO1 1519998029 1170620469 /nfs/dbraw/zinc/62/04/69/1170620469.db2.gz FCUUKBCZBRBALG-QMMMGPOBSA-N 0 0 196.202 1.534 10 0 ADAERN CC[C@H](F)C(=O)OCCOC1CC1 1519982533 1170620541 /nfs/dbraw/zinc/62/05/41/1170620541.db2.gz ZWYKQKIJUUCVSU-QMMMGPOBSA-N 0 0 190.214 1.457 10 0 ADAERN C[C@@H](C(=O)OC[C@@H]1CCO1)C1CC1 1519999461 1170620548 /nfs/dbraw/zinc/62/05/48/1170620548.db2.gz UATAWENYQNTORT-APPZFPTMSA-N 0 0 184.235 1.365 10 0 ADAERN O=C(OC1CSC1)C12CC(C1)C2 1519939110 1170620555 /nfs/dbraw/zinc/62/05/55/1170620555.db2.gz XFNLGJQQKAOFJG-UHFFFAOYSA-N 0 0 184.260 1.445 10 0 ADAERN C=C=CCNC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1519422305 1170620584 /nfs/dbraw/zinc/62/05/84/1170620584.db2.gz XFZAVPHHCUPZHQ-ILWJIGKKSA-N 0 0 192.262 1.425 10 0 ADAERN CC(C)CC(=O)OC[C@H]1CCO1 1519998411 1170620641 /nfs/dbraw/zinc/62/06/41/1170620641.db2.gz HRMGRTYQKQKEQZ-MRVPVSSYSA-N 0 0 172.224 1.365 10 0 ADAERN O=C(OC[C@H]1CCO1)C1CCC1 1519999725 1170620740 /nfs/dbraw/zinc/62/07/40/1170620740.db2.gz XDVZOIVGGQRURZ-MRVPVSSYSA-N 0 0 170.208 1.119 10 0 ADAERN CC/C=C(/C)C(=O)OC[C@H]1CCO1 1519998967 1170620802 /nfs/dbraw/zinc/62/08/02/1170620802.db2.gz OITDVTHJXGFZNC-USYJTPIQSA-N 0 0 184.235 1.675 10 0 ADAERN Cc1ccoc1C(=O)OC[C@H]1CCO1 1519998028 1170620942 /nfs/dbraw/zinc/62/09/42/1170620942.db2.gz FCUUKBCZBRBALG-MRVPVSSYSA-N 0 0 196.202 1.534 10 0 ADAERN O=C(C=C1CCC1)OC[C@@H]1CCO1 1519997981 1170620984 /nfs/dbraw/zinc/62/09/84/1170620984.db2.gz DJMOGZSRHSNIDZ-VIFPVBQESA-N 0 0 182.219 1.429 10 0 ADAERN C/C=C(\C)C(=O)OC[C@@H]1COC(=O)C1 1519366522 1170621043 /nfs/dbraw/zinc/62/10/43/1170621043.db2.gz NWFYTXVARFIMPT-DKCNVOGISA-N 0 0 198.218 1.059 10 0 ADAERN C/C=C(\C)C(=O)OC[C@H]1COC(=O)C1 1519366523 1170621114 /nfs/dbraw/zinc/62/11/14/1170621114.db2.gz NWFYTXVARFIMPT-HOOMWESVSA-N 0 0 198.218 1.059 10 0 ADAERN C[C@H](C(=O)OC[C@H]1CCO1)C1CC1 1519999463 1170621223 /nfs/dbraw/zinc/62/12/23/1170621223.db2.gz UATAWENYQNTORT-IONNQARKSA-N 0 0 184.235 1.365 10 0 ADAERN C[C@@H](C(=O)OC[C@H]1CCO1)C1CC1 1519999464 1170621285 /nfs/dbraw/zinc/62/12/85/1170621285.db2.gz UATAWENYQNTORT-VXNVDRBHSA-N 0 0 184.235 1.365 10 0 ADAERN O=C(C=C1CCC1)OC[C@H]1CCO1 1519997980 1170621307 /nfs/dbraw/zinc/62/13/07/1170621307.db2.gz DJMOGZSRHSNIDZ-SECBINFHSA-N 0 0 182.219 1.429 10 0 ADAERN CC/C=C(\C)C(=O)OC[C@H]1CCO1 1519998968 1170621330 /nfs/dbraw/zinc/62/13/30/1170621330.db2.gz OITDVTHJXGFZNC-VGANXODHSA-N 0 0 184.235 1.675 10 0 ADAERN CC1(C)CC(C(=O)OC[C@@H]2CCO2)C1 1519998532 1170621333 /nfs/dbraw/zinc/62/13/33/1170621333.db2.gz JFIHNJXZCOUUAM-VIFPVBQESA-N 0 0 198.262 1.755 10 0 ADAERN CC(C)CC(=O)OC[C@@H]1CCO1 1519998421 1170621395 /nfs/dbraw/zinc/62/13/95/1170621395.db2.gz HRMGRTYQKQKEQZ-QMMMGPOBSA-N 0 0 172.224 1.365 10 0 ADAERN CC(=O)OCc1cnc(Cl)n1C 1519440695 1170621401 /nfs/dbraw/zinc/62/14/01/1170621401.db2.gz CMVWGHUHVCKWSH-UHFFFAOYSA-N 0 0 188.614 1.137 10 0 ADAERN O=C(OC[C@@H]1CCO1)C1CCC1 1519999726 1170621404 /nfs/dbraw/zinc/62/14/04/1170621404.db2.gz XDVZOIVGGQRURZ-QMMMGPOBSA-N 0 0 170.208 1.119 10 0 ADAERN CC[C@@H](F)C(=O)OCCOC1CC1 1519982532 1170621406 /nfs/dbraw/zinc/62/14/06/1170621406.db2.gz ZWYKQKIJUUCVSU-MRVPVSSYSA-N 0 0 190.214 1.457 10 0 ADAERN CC1(C)CC(C(=O)OC[C@H]2CCO2)C1 1519998531 1170621462 /nfs/dbraw/zinc/62/14/62/1170621462.db2.gz JFIHNJXZCOUUAM-SECBINFHSA-N 0 0 198.262 1.755 10 0 ADAERN C[C@H](C(=O)OC[C@@H]1CCO1)C1CC1 1519999462 1170621515 /nfs/dbraw/zinc/62/15/15/1170621515.db2.gz UATAWENYQNTORT-CBAPKCEASA-N 0 0 184.235 1.365 10 0 ADAERN C/C=C(/C)C(=O)OC[C@@H]1COC(=O)C1 1519366526 1170621545 /nfs/dbraw/zinc/62/15/45/1170621545.db2.gz NWFYTXVARFIMPT-PFPYCLJUSA-N 0 0 198.218 1.059 10 0 ADAERN CC[C@](C)(O)CCOC(=O)C1CC1 1520441404 1170621953 /nfs/dbraw/zinc/62/19/53/1170621953.db2.gz KAUMXQASZIXORP-JTQLQIEISA-N 0 0 186.251 1.491 10 0 ADAERN CCN(OC)C(=O)C(F)=C1CCC1 1520701243 1170622017 /nfs/dbraw/zinc/62/20/17/1170622017.db2.gz FZSZRFMXCZABCP-UHFFFAOYSA-N 0 0 187.214 1.804 10 0 ADAERN C=C/C(C)=C/CC(=O)N(CC)OC 1520701635 1170622140 /nfs/dbraw/zinc/62/21/40/1170622140.db2.gz KSYBSFTXVIQDKO-VQHVLOKHSA-N 0 0 183.251 1.919 10 0 ADAERN O=C([C@@H]1C[C@@H]1F)N1CC(CC2CC2)C1 1520351778 1170622345 /nfs/dbraw/zinc/62/23/45/1170622345.db2.gz ANEGXVYUECFCEO-ZJUUUORDSA-N 0 0 197.253 1.603 10 0 ADAERN O=C([C@H]1C[C@H]1F)N1CC(CC2CC2)C1 1520351777 1170622591 /nfs/dbraw/zinc/62/25/91/1170622591.db2.gz ANEGXVYUECFCEO-VHSXEESVSA-N 0 0 197.253 1.603 10 0 ADAERN CC12CC(CN1C(=O)[C@@H]1C[C@@H]1F)C2 1520351750 1170622692 /nfs/dbraw/zinc/62/26/92/1170622692.db2.gz ABRUCZHZBPHHDD-CINMIUTLSA-N 0 0 183.226 1.355 10 0 ADAERN O=C([C@@H]1C[C@H]1F)N1CC(CC2CC2)C1 1520351775 1170622920 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O=C(NC1CSC1)N[C@@H]1C=CCC1 1565036448 1170667072 /nfs/dbraw/zinc/66/70/72/1170667072.db2.gz JKVIAPLVUHGWKP-SSDOTTSWSA-N 0 0 198.291 1.120 10 0 ADAERN C[C@H]1[C@@H](O)CCN1C(=O)OC1CCC1 1561570503 1170667883 /nfs/dbraw/zinc/66/78/83/1170667883.db2.gz UYAIFDADWVGIOT-CBAPKCEASA-N 0 0 199.250 1.131 10 0 ADAERN C/C=C(\C)C(=O)N1CC[C@H](C)[C@H](O)C1 1567026779 1170668906 /nfs/dbraw/zinc/66/89/06/1170668906.db2.gz MMXZHHRZOZSZRY-GNKRQNHBSA-N 0 0 197.278 1.182 10 0 ADAERN C=C/C=C/CC(=O)N[C@@H]1CCOC1 1566723689 1170669047 /nfs/dbraw/zinc/66/90/47/1170669047.db2.gz NXNAERLPXWNFFH-CDAZIORVSA-N 0 0 181.235 1.024 10 0 ADAERN C=C/C=C\CC(=O)NC[C@@H](O)CCC 1566309108 1170669288 /nfs/dbraw/zinc/66/92/88/1170669288.db2.gz NAXNRNWDXIXXMO-OMMCCPJFSA-N 0 0 197.278 1.396 10 0 ADAERN C=C/C=C/CC(=O)NCC(C)(C)OC 1565997083 1170669359 /nfs/dbraw/zinc/66/93/59/1170669359.db2.gz RXERSNAADXMSPD-VOTSOKGWSA-N 0 0 197.278 1.660 10 0 ADAERN C=C/C=C\CC(=O)N[C@H](CC)CCO 1566396968 1170669461 /nfs/dbraw/zinc/66/94/61/1170669461.db2.gz DQQANMMCSXMRMC-WWQCOOJYSA-N 0 0 197.278 1.396 10 0 ADAERN C=C/C=C\CC(=O)NCc1ccc[nH]1 1566081217 1170669645 /nfs/dbraw/zinc/66/96/45/1170669645.db2.gz JPPTWDFTTWMWTM-ARJAWSKDSA-N 0 0 190.246 1.763 10 0 ADAERN C=C/C=C\CC(=O)NCC(C)(C)CO 1566520865 1170669725 /nfs/dbraw/zinc/66/97/25/1170669725.db2.gz PCHHSXAOCJIWMR-WAYWQWQTSA-N 0 0 197.278 1.253 10 0 ADAERN C/C=C(/C)C(=O)N1CC[C@H](C)[C@H](O)C1 1567026780 1170669769 /nfs/dbraw/zinc/66/97/69/1170669769.db2.gz MMXZHHRZOZSZRY-YXCTTXFESA-N 0 0 197.278 1.182 10 0 ADAERN C/C=C(/C)C(=O)N1CC[C@H](C)[C@@H](O)C1 1567026777 1170669778 /nfs/dbraw/zinc/66/97/78/1170669778.db2.gz MMXZHHRZOZSZRY-BBYBGLFNSA-N 0 0 197.278 1.182 10 0 ADAERN C=C/C=C/CC(=O)NC[C@@H](O)CCC 1566309109 1170669831 /nfs/dbraw/zinc/66/98/31/1170669831.db2.gz NAXNRNWDXIXXMO-PORFMDCZSA-N 0 0 197.278 1.396 10 0 ADAERN C=C/C=C/CC(=O)N[C@@H](CC)CCO 1566396967 1170669848 /nfs/dbraw/zinc/66/98/48/1170669848.db2.gz DQQANMMCSXMRMC-PORFMDCZSA-N 0 0 197.278 1.396 10 0 ADAERN O=C(CCCCCO)N1CC=CCC1 1566891780 1170669933 /nfs/dbraw/zinc/66/99/33/1170669933.db2.gz ZIHMRKYWTQVZLM-UHFFFAOYSA-N 0 0 197.278 1.328 10 0 ADAERN C=C/C=C\CC(=O)N[C@H]1CCOC1 1566723691 1170670117 /nfs/dbraw/zinc/67/01/17/1170670117.db2.gz NXNAERLPXWNFFH-TYRPZCRBSA-N 0 0 181.235 1.024 10 0 ADAERN CC(C)=CC(=O)NCC[C@H](O)C(C)C 1565784942 1170670190 /nfs/dbraw/zinc/67/01/90/1170670190.db2.gz SCPVHMXDCWXWCM-JTQLQIEISA-N 0 0 199.294 1.476 10 0 ADAERN C=C/C=C\CC(=O)NC[C@H](O)CCC 1566309110 1170670373 /nfs/dbraw/zinc/67/03/73/1170670373.db2.gz NAXNRNWDXIXXMO-WWQCOOJYSA-N 0 0 197.278 1.396 10 0 ADAERN CC(C)=CC(=O)NCC[C@@H](O)C(C)C 1565784943 1170670383 /nfs/dbraw/zinc/67/03/83/1170670383.db2.gz SCPVHMXDCWXWCM-SNVBAGLBSA-N 0 0 199.294 1.476 10 0 ADAERN C/C=C(\C)C(=O)N1CC[C@H](C)[C@@H](O)C1 1567026778 1170670388 /nfs/dbraw/zinc/67/03/88/1170670388.db2.gz MMXZHHRZOZSZRY-DQRKKKBRSA-N 0 0 197.278 1.182 10 0 ADAERN C=C/C=C/CC(=O)N[C@H]1CCOC1 1566723690 1170670452 /nfs/dbraw/zinc/67/04/52/1170670452.db2.gz NXNAERLPXWNFFH-NWALNABHSA-N 0 0 181.235 1.024 10 0 ADAERN CC1(C)CCN1C(=O)CCCCCO 1565868214 1170670578 /nfs/dbraw/zinc/67/05/78/1170670578.db2.gz QJYYGUNLZSJMRD-UHFFFAOYSA-N 0 0 199.294 1.550 10 0 ADAERN C=C/C=C\CC(=O)N[C@@H]1CCOC1 1566723692 1170670642 /nfs/dbraw/zinc/67/06/42/1170670642.db2.gz NXNAERLPXWNFFH-ZBJFTSOASA-N 0 0 181.235 1.024 10 0 ADAERN C=C/C=C/CC(=O)N[C@H](CC)CCO 1566396965 1170670687 /nfs/dbraw/zinc/67/06/87/1170670687.db2.gz DQQANMMCSXMRMC-BRAIEQGRSA-N 0 0 197.278 1.396 10 0 ADAERN C=C/C=C\CC(=O)N[C@@H](CC)CCO 1566396966 1170670716 /nfs/dbraw/zinc/67/07/16/1170670716.db2.gz DQQANMMCSXMRMC-OMMCCPJFSA-N 0 0 197.278 1.396 10 0 ADAERN CC1(NC(=O)CCCCCO)CCC1 1566481056 1170670613 /nfs/dbraw/zinc/67/06/13/1170670613.db2.gz QCQGIZHPQMXMRI-UHFFFAOYSA-N 0 0 199.294 1.598 10 0 ADAERN C=CC=CCC(=O)Nc1nc(C)c[nH]1 1566306113 1170670958 /nfs/dbraw/zinc/67/09/58/1170670958.db2.gz ZBBMKFOMSGIFIW-SNAWJCMRSA-N 0 0 191.234 1.789 10 0 ADAERN C=C/C=C/CC(=O)NC[C@H](O)CCC 1566309107 1170670979 /nfs/dbraw/zinc/67/09/79/1170670979.db2.gz NAXNRNWDXIXXMO-BRAIEQGRSA-N 0 0 197.278 1.396 10 0 ADAERN C=CC=CCC(=O)Nc1nc(C)c[nH]1 1566306112 1170671002 /nfs/dbraw/zinc/67/10/02/1170671002.db2.gz ZBBMKFOMSGIFIW-PLNGDYQASA-N 0 0 191.234 1.789 10 0 ADAERN C=C/C=C\CC(=O)NCC(C)(C)OC 1565997078 1170671033 /nfs/dbraw/zinc/67/10/33/1170671033.db2.gz RXERSNAADXMSPD-SREVYHEPSA-N 0 0 197.278 1.660 10 0 ADAERN C=C/C=C/CC(=O)NCC(C)(C)CO 1566520864 1170671090 /nfs/dbraw/zinc/67/10/90/1170671090.db2.gz PCHHSXAOCJIWMR-AATRIKPKSA-N 0 0 197.278 1.253 10 0 ADAERN C=C/C=C/CC(=O)NCc1ccc[nH]1 1566081218 1170671212 /nfs/dbraw/zinc/67/12/12/1170671212.db2.gz JPPTWDFTTWMWTM-ONEGZZNKSA-N 0 0 190.246 1.763 10 0 ADAERN C=C/C=C\CC(=O)NCCCCCO 1568572496 1170672197 /nfs/dbraw/zinc/67/21/97/1170672197.db2.gz KTFBWBLRODGVNN-HYXAFXHYSA-N 0 0 197.278 1.398 10 0 ADAERN O=C(CCC(F)F)N1CCCOC1 1568852382 1170672566 /nfs/dbraw/zinc/67/25/66/1170672566.db2.gz HAUVEMCNTTWENI-UHFFFAOYSA-N 0 0 193.193 1.238 10 0 ADAERN CC1CN(C(=O)/C=C/[C@H]2CCOC2)C1 1568378490 1170672691 /nfs/dbraw/zinc/67/26/91/1170672691.db2.gz GYUJDPPLECPNOC-PBKGFPTLSA-N 0 0 195.262 1.057 10 0 ADAERN CC1CN(C(=O)/C=C\[C@H]2CCOC2)C1 1568378492 1170672833 /nfs/dbraw/zinc/67/28/33/1170672833.db2.gz GYUJDPPLECPNOC-ZMWSMAPVSA-N 0 0 195.262 1.057 10 0 ADAERN CC1CN(C(=O)/C=C\[C@@H]2CCOC2)C1 1568378489 1170672930 /nfs/dbraw/zinc/67/29/30/1170672930.db2.gz GYUJDPPLECPNOC-MXQLGCADSA-N 0 0 195.262 1.057 10 0 ADAERN C/C=C(\C)C(=O)NCCC1(CO)CC1 1569116677 1170673298 /nfs/dbraw/zinc/67/32/98/1170673298.db2.gz AINUXHHRZCAKHN-YCRREMRBSA-N 0 0 197.278 1.231 10 0 ADAERN C=C/C=C/CC(=O)NCCCCCO 1568572487 1170673483 /nfs/dbraw/zinc/67/34/83/1170673483.db2.gz KTFBWBLRODGVNN-HWKANZROSA-N 0 0 197.278 1.398 10 0 ADAERN C/C=C(/C)C(=O)NCCC1(CO)CC1 1569116676 1170673693 /nfs/dbraw/zinc/67/36/93/1170673693.db2.gz AINUXHHRZCAKHN-OQFOIZHKSA-N 0 0 197.278 1.231 10 0 ADAERN CC1CN(C(=O)/C=C/[C@@H]2CCOC2)C1 1568378491 1170673839 /nfs/dbraw/zinc/67/38/39/1170673839.db2.gz GYUJDPPLECPNOC-VMZHVLLKSA-N 0 0 195.262 1.057 10 0 ADAERN C[C@H]1[C@@H](O)CCN1C(=O)C=C1CCC1 1569137358 1170674486 /nfs/dbraw/zinc/67/44/86/1170674486.db2.gz XVTFJBGDDNYULD-WPRPVWTQSA-N 0 0 195.262 1.078 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](O)[C@@H]1C 1569137318 1170674496 /nfs/dbraw/zinc/67/44/96/1170674496.db2.gz WDALFYLSZXFQEZ-JLIMGVALSA-N 0 0 197.278 1.014 10 0 ADAERN Cc1nc(NC(=O)[C@@H]2C[C@@H]2F)oc1C 1584991955 1170765214 /nfs/dbraw/zinc/76/52/14/1170765214.db2.gz FGORAOXDJHZDGA-RQJHMYQMSA-N 0 0 198.197 1.588 10 0 ADAERN Cc1nc(NC(=O)[C@@H]2C[C@H]2F)oc1C 1584991954 1170763617 /nfs/dbraw/zinc/76/36/17/1170763617.db2.gz FGORAOXDJHZDGA-RNFRBKRXSA-N 0 0 198.197 1.588 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccsn1 1583225626 1170763626 /nfs/dbraw/zinc/76/36/26/1170763626.db2.gz YUGFRMDYMQFBGI-RITPCOANSA-N 0 0 182.248 1.738 10 0 ADAERN CCO/C=C/C(=O)Nc1conc1C 1583261402 1170763658 /nfs/dbraw/zinc/76/36/58/1170763658.db2.gz AOUQXWGMIKCZNI-SNAWJCMRSA-N 0 0 196.206 1.472 10 0 ADAERN C=C/C=C/CCNC(=O)c1cocn1 1583688111 1170763856 /nfs/dbraw/zinc/76/38/56/1170763856.db2.gz XJRMQSGBSQQTAO-ONEGZZNKSA-N 0 0 192.218 1.537 10 0 ADAERN CC(=O)Nc1ncncc1C(C)C 1584836886 1170763865 /nfs/dbraw/zinc/76/38/65/1170763865.db2.gz RJUKSLCHUQDDAL-UHFFFAOYSA-N 0 0 179.223 1.558 10 0 ADAERN CN(C#N)C(=O)C1(C)CCCC1 1585498299 1170764058 /nfs/dbraw/zinc/76/40/58/1170764058.db2.gz APDJGSWTLZPRPL-UHFFFAOYSA-N 0 0 166.224 1.506 10 0 ADAERN O=C(Nc1ccsn1)[C@@H]1CC12CC2 1583224722 1170764096 /nfs/dbraw/zinc/76/40/96/1170764096.db2.gz LSWBLXLWYGTUMO-LURJTMIESA-N 0 0 194.259 1.882 10 0 ADAERN CCC[C@H](C)C(=O)N(C)C#N 1585494572 1170764128 /nfs/dbraw/zinc/76/41/28/1170764128.db2.gz WGDKTXNLEBKEJZ-ZETCQYMHSA-N 0 0 154.213 1.362 10 0 ADAERN CCC(=O)NOc1ccc(F)cc1 1584004195 1170764285 /nfs/dbraw/zinc/76/42/85/1170764285.db2.gz RCOCGJYNJVCTHH-UHFFFAOYSA-N 0 0 183.182 1.646 10 0 ADAERN C/C(Cl)=C\C(=O)Nc1cnoc1 1584535678 1170764344 /nfs/dbraw/zinc/76/43/44/1170764344.db2.gz SHKLOADNDPXRQT-GORDUTHDSA-N 0 0 186.598 1.756 10 0 ADAERN O=C(Nc1ccsn1)[C@H]1CC12CC2 1583224723 1170764718 /nfs/dbraw/zinc/76/47/18/1170764718.db2.gz LSWBLXLWYGTUMO-ZCFIWIBFSA-N 0 0 194.259 1.882 10 0 ADAERN C/C(Cl)=C/C(=O)Nc1cnoc1 1584535674 1170764887 /nfs/dbraw/zinc/76/48/87/1170764887.db2.gz SHKLOADNDPXRQT-DJWKRKHSSA-N 0 0 186.598 1.756 10 0 ADAERN Cc1nc(NC(=O)[C@H]2C[C@H]2F)oc1C 1584991951 1170764958 /nfs/dbraw/zinc/76/49/58/1170764958.db2.gz FGORAOXDJHZDGA-NKWVEPMBSA-N 0 0 198.197 1.588 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Nc1ccsn1 1583225624 1170765220 /nfs/dbraw/zinc/76/52/20/1170765220.db2.gz YUGFRMDYMQFBGI-NTSWFWBYSA-N 0 0 182.248 1.738 10 0 ADAERN CC(C)C(=O)N1CCc2cccnc21 1583838403 1170765804 /nfs/dbraw/zinc/76/58/04/1170765804.db2.gz PFGXLLDAYACQEF-UHFFFAOYSA-N 0 0 190.246 1.627 10 0 ADAERN CCO/C=C\C(=O)Nc1conc1C 1583261401 1170765907 /nfs/dbraw/zinc/76/59/07/1170765907.db2.gz AOUQXWGMIKCZNI-PLNGDYQASA-N 0 0 196.206 1.472 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Nc1ccsn1 1583225627 1170766031 /nfs/dbraw/zinc/76/60/31/1170766031.db2.gz YUGFRMDYMQFBGI-WDSKDSINSA-N 0 0 182.248 1.738 10 0 ADAERN COCCCCN(C)C(=O)C1(C)CC1 1584096520 1170766487 /nfs/dbraw/zinc/76/64/87/1170766487.db2.gz XWVABJGMDKPYHI-UHFFFAOYSA-N 0 0 199.294 1.672 10 0 ADAERN CCC[C@@H](C)C(=O)N(C)C#N 1585494510 1170766668 /nfs/dbraw/zinc/76/66/68/1170766668.db2.gz WGDKTXNLEBKEJZ-SSDOTTSWSA-N 0 0 154.213 1.362 10 0 ADAERN C=C/C=C\CCNC(=O)c1cocn1 1583688110 1170766502 /nfs/dbraw/zinc/76/65/02/1170766502.db2.gz XJRMQSGBSQQTAO-ARJAWSKDSA-N 0 0 192.218 1.537 10 0 ADAERN C/C(Cl)=C\C(=O)Nn1cccn1 1584518584 1170766775 /nfs/dbraw/zinc/76/67/75/1170766775.db2.gz RNOGGMJVWJXBKE-AATRIKPKSA-N 0 0 185.614 1.096 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Nc1ccsn1 1583225625 1170766847 /nfs/dbraw/zinc/76/68/47/1170766847.db2.gz YUGFRMDYMQFBGI-PHDIDXHHSA-N 0 0 182.248 1.738 10 0 ADAERN Cc1nc(NC(=O)[C@H]2C[C@@H]2F)oc1C 1584991949 1170766857 /nfs/dbraw/zinc/76/68/57/1170766857.db2.gz 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0 ADAERN CC(C)C[C@H](C)CN1NC(=O)C[C@H]1C 1658920179 1170936700 /nfs/dbraw/zinc/93/67/00/1170936700.db2.gz QODRZMODEFWOJR-VHSXEESVSA-N 0 0 198.310 1.794 10 0 ADAERN CC(C)C[C@H](C)CN1NC(=O)C[C@@H]1C 1658920178 1170935310 /nfs/dbraw/zinc/93/53/10/1170935310.db2.gz QODRZMODEFWOJR-UWVGGRQHSA-N 0 0 198.310 1.794 10 0 ADAERN CC(C)C[C@@H](C)CN1NC(=O)C[C@@H]1C 1658920180 1170935750 /nfs/dbraw/zinc/93/57/50/1170935750.db2.gz QODRZMODEFWOJR-ZJUUUORDSA-N 0 0 198.310 1.794 10 0 ADAERN c1csc(CNc2c[nH]nn2)c1 1658728862 1170936841 /nfs/dbraw/zinc/93/68/41/1170936841.db2.gz GXSFOIBEBKFQJH-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN CC(C)C[C@@H](C)CN1NC(=O)C[C@H]1C 1658920173 1170937476 /nfs/dbraw/zinc/93/74/76/1170937476.db2.gz QODRZMODEFWOJR-NXEZZACHSA-N 0 0 198.310 1.794 10 0 ADAERN CCN(Cc1ccc(C)o1)OC 1660250036 1170942630 /nfs/dbraw/zinc/94/26/30/1170942630.db2.gz HKUQDUKDYUDLMV-UHFFFAOYSA-N 0 0 169.224 1.971 10 0 ADAERN C[C@H]1CCC(F)(F)CN1CCCO 1660602997 1170946744 /nfs/dbraw/zinc/94/67/44/1170946744.db2.gz LQYZEKOEPMINRK-QMMMGPOBSA-N 0 0 193.237 1.488 10 0 ADAERN C[C@@H]1CCC(F)(F)CN1CCCO 1660602996 1170947161 /nfs/dbraw/zinc/94/71/61/1170947161.db2.gz LQYZEKOEPMINRK-MRVPVSSYSA-N 0 0 193.237 1.488 10 0 ADAERN c1nncn1N[C@H]1C[C@H]2CC[C@H](C2)C1 1663400980 1170949307 /nfs/dbraw/zinc/94/93/07/1170949307.db2.gz ZYRWTPXGSXERFQ-ILWJIGKKSA-N 0 0 192.266 1.400 10 0 ADAERN c1nncn1N[C@@H]1C[C@H]2CC[C@H](C2)C1 1663400981 1170949908 /nfs/dbraw/zinc/94/99/08/1170949908.db2.gz ZYRWTPXGSXERFQ-MYJAWHEDSA-N 0 0 192.266 1.400 10 0 ADAERN C=COc1ccc(NC(N)=O)cc1 1662562224 1170950178 /nfs/dbraw/zinc/95/01/78/1170950178.db2.gz KMSXTCITNGEJHR-UHFFFAOYSA-N 0 0 178.191 1.700 10 0 ADAERN C=COc1ccc(NC(=O)NC)cc1 1662562860 1170951580 /nfs/dbraw/zinc/95/15/80/1170951580.db2.gz XHTDDNIZDGHQBH-UHFFFAOYSA-N 0 0 192.218 1.960 10 0 ADAERN CC/C=C/CCN1CC(NC(C)=O)C1 1665088995 1170954110 /nfs/dbraw/zinc/95/41/10/1170954110.db2.gz ZSWLKRMQNFJREW-SNAWJCMRSA-N 0 0 196.294 1.163 10 0 ADAERN CN1C(=O)CCCc2c[nH]c(=O)cc21 1690108273 1170959853 /nfs/dbraw/zinc/95/98/53/1170959853.db2.gz PWMXIZFAWGKDOQ-UHFFFAOYSA-N 0 0 192.218 1.086 10 0 ADAERN C/C=C(\C)C(=O)NC1CN(CCC)C1 1692187240 1170960260 /nfs/dbraw/zinc/96/02/60/1170960260.db2.gz PWVDUQVAEYMTAE-WEVVVXLNSA-N 0 0 196.294 1.163 10 0 ADAERN CN1C(=O)CCCc2cc(=O)[nH]cc21 1690108253 1170960277 /nfs/dbraw/zinc/96/02/77/1170960277.db2.gz NIUVQCYOJZERAB-UHFFFAOYSA-N 0 0 192.218 1.086 10 0 ADAERN CN1C(=O)CCCc2[nH]c(=O)ccc21 1690108290 1170960729 /nfs/dbraw/zinc/96/07/29/1170960729.db2.gz YLCYHOGNONHMFN-UHFFFAOYSA-N 0 0 192.218 1.086 10 0 ADAERN CCc1nnc(N(C)OC)n1C1CC1 1694644788 1170961063 /nfs/dbraw/zinc/96/10/63/1170961063.db2.gz CGXGCGYEJMHGNV-UHFFFAOYSA-N 0 0 196.254 1.173 10 0 ADAERN C/C=C(/C)C(=O)NC1CN(CCC)C1 1692187239 1170961134 /nfs/dbraw/zinc/96/11/34/1170961134.db2.gz PWVDUQVAEYMTAE-UITAMQMPSA-N 0 0 196.294 1.163 10 0 ADAERN Cc1nc2c(s1)CCCC(=O)N2C 1690108272 1170961271 /nfs/dbraw/zinc/96/12/71/1170961271.db2.gz PRORQSUTYXSFHG-UHFFFAOYSA-N 0 0 196.275 1.751 10 0 ADAERN Cn1ccc2ccc(Cl)nc2c1=O 1690107254 1170961307 /nfs/dbraw/zinc/96/13/07/1170961307.db2.gz HGIATSHCOMREBU-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN N=C1C=N[C@@H](c2ccccc2)N1 1690106559 1170961678 /nfs/dbraw/zinc/96/16/78/1170961678.db2.gz FWCLTCQEWFMKLG-SECBINFHSA-N 0 0 159.192 1.127 10 0 ADAERN N=C1C=N[C@H](c2ccccc2)N1 1690106560 1170961899 /nfs/dbraw/zinc/96/18/99/1170961899.db2.gz FWCLTCQEWFMKLG-VIFPVBQESA-N 0 0 159.192 1.127 10 0 ADAERN COc1cc(OC)c2c(c1)OCO2 1690107322 1170962266 /nfs/dbraw/zinc/96/22/66/1170962266.db2.gz SJLYRAGVKQQJRF-UHFFFAOYSA-N 0 0 182.175 1.433 10 0 ADAERN Cc1cc2c(=O)n(C)cc-2[nH]c1Cl 1690107306 1170962289 /nfs/dbraw/zinc/96/22/89/1170962289.db2.gz KKNORGINPIVRIP-UHFFFAOYSA-N 0 0 196.637 1.629 10 0 ADAERN Cc1nnc(N(C)C2CC2)n1C1CC1 1707855387 1170965549 /nfs/dbraw/zinc/96/55/49/1170965549.db2.gz LCQSALULBZOZOV-UHFFFAOYSA-N 0 0 192.266 1.520 10 0 ADAERN CCCC(=O)N(C)C1CN(CCC)C1 1723730752 1170970637 /nfs/dbraw/zinc/97/06/37/1170970637.db2.gz XXPKVGBEEHPAJS-UHFFFAOYSA-N 0 0 198.310 1.339 10 0 ADAERN C/C=C(/C)C(=O)N(C)C1CN(CC)C1 1733305379 1170974171 /nfs/dbraw/zinc/97/41/71/1170974171.db2.gz UDZQJVNDMHQTLZ-UITAMQMPSA-N 0 0 196.294 1.115 10 0 ADAERN C/C=C(\C)C(=O)N(C)C1CN(CC)C1 1733305380 1170974255 /nfs/dbraw/zinc/97/42/55/1170974255.db2.gz UDZQJVNDMHQTLZ-WEVVVXLNSA-N 0 0 196.294 1.115 10 0 ADAERN CCCN(C)c1nnc(C)n1C1CC1 1745559636 1170975672 /nfs/dbraw/zinc/97/56/72/1170975672.db2.gz CNKHUOXAWHDTRL-UHFFFAOYSA-N 0 0 194.282 1.768 10 0 ADAERN CON(C)c1nnc(C)n1[C@H]1C[C@@H]1C 1770250516 1170977765 /nfs/dbraw/zinc/97/77/65/1170977765.db2.gz PZOAMCSUEXAKSE-XPUUQOCRSA-N 0 0 196.254 1.165 10 0 ADAERN CON(C)c1nnc(C)n1[C@@H]1C[C@@H]1C 1770250514 1170978118 /nfs/dbraw/zinc/97/81/18/1170978118.db2.gz PZOAMCSUEXAKSE-POYBYMJQSA-N 0 0 196.254 1.165 10 0 ADAERN CON(C)c1nnc(C)n1[C@H]1C[C@H]1C 1770250515 1170978382 /nfs/dbraw/zinc/97/83/82/1170978382.db2.gz PZOAMCSUEXAKSE-SVRRBLITSA-N 0 0 196.254 1.165 10 0 ADAERN CCCn1c(CC)nnc1N(C)OC 1764389486 1170978518 /nfs/dbraw/zinc/97/85/18/1170978518.db2.gz SLGFAZJHGMHOAC-UHFFFAOYSA-N 0 0 198.270 1.248 10 0 ADAERN CON(C)c1nnc(C)n1[C@@H]1C[C@H]1C 1770250513 1170979117 /nfs/dbraw/zinc/97/91/17/1170979117.db2.gz PZOAMCSUEXAKSE-HTRCEHHLSA-N 0 0 196.254 1.165 10 0 ADAERN Clc1cnc2c(c1)nnn2C1CC1 213815740 571672333 /nfs/dbraw/zinc/67/23/33/571672333.db2.gz YDKKBMGVAKRDOI-UHFFFAOYSA-N 0 0 194.625 1.815 10 0 ADAERN O=C1CCCCCN1CCCCCO 51020163 571674525 /nfs/dbraw/zinc/67/45/25/571674525.db2.gz AIQCMDOAAYWNHR-UHFFFAOYSA-N 0 0 199.294 1.552 10 0 ADAERN O[C@@H](C1CCCCC1)[C@@H]1CCO1 213831781 571675583 /nfs/dbraw/zinc/67/55/83/571675583.db2.gz YVOXODLZMYIYAU-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1nc([C@H]2CCCCCN2)nn1C 213805036 571673431 /nfs/dbraw/zinc/67/34/31/571673431.db2.gz HRIOMIJQKRGIMB-SECBINFHSA-N 0 0 194.282 1.328 10 0 ADAERN OC[C@H](C1CC1)[C@@H]1CCCCO1 213831088 571675677 /nfs/dbraw/zinc/67/56/77/571675677.db2.gz NSDGDIPTMGMREE-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN C/C=C/COc1ccc(CO)cn1 51174140 571673441 /nfs/dbraw/zinc/67/34/41/571673441.db2.gz FUISBEAWRZHVNV-NSCUHMNNSA-N 0 0 179.219 1.529 10 0 ADAERN Nc1cccc(-c2nc(Cl)n[nH]2)c1 213816150 571673446 /nfs/dbraw/zinc/67/34/46/571673446.db2.gz MKQHJNJELANJJG-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN ONc1ccccc1O 138751014 571672204 /nfs/dbraw/zinc/67/22/04/571672204.db2.gz UYPGGNLSLMOLMU-UHFFFAOYSA-N 0 0 125.127 1.193 10 0 ADAERN CCC(C)(C)c1ncc(OC)c(=O)[nH]1 710779634 571672211 /nfs/dbraw/zinc/67/22/11/571672211.db2.gz JQWZNWINGUNZMR-UHFFFAOYSA-N 0 0 196.250 1.878 10 0 ADAERN C[C@H]1CC(=O)CC(C)(C)[C@@H]1O 138747055 571672242 /nfs/dbraw/zinc/67/22/42/571672242.db2.gz CZFNEULXUXGILY-POYBYMJQSA-N 0 0 156.225 1.373 10 0 ADAERN OC[C@@H](C1CC1)[C@H]1CCCCO1 213831031 571676577 /nfs/dbraw/zinc/67/65/77/571676577.db2.gz NSDGDIPTMGMREE-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN CSc1nc2cc(N)cnc2n1C 213791055 571672296 /nfs/dbraw/zinc/67/22/96/571672296.db2.gz LJFGBMLLHKGKBN-UHFFFAOYSA-N 0 0 194.263 1.272 10 0 ADAERN Nc1ccc(Cl)cc1-n1ccnn1 213814720 571672316 /nfs/dbraw/zinc/67/23/16/571672316.db2.gz OWRGNTPLXJMLFP-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CCCC(=O)[C@@](C)(F)C(=O)OC 213784312 571672324 /nfs/dbraw/zinc/67/23/24/571672324.db2.gz CAPIOYYJKYULHE-MRVPVSSYSA-N 0 0 176.187 1.257 10 0 ADAERN C/C=C/COc1ccnc(CO)c1 51174136 571672370 /nfs/dbraw/zinc/67/23/70/571672370.db2.gz KANLXONHBZQYQQ-NSCUHMNNSA-N 0 0 179.219 1.529 10 0 ADAERN Clc1ccnc2c1nnn2C1CC1 213815664 571672404 /nfs/dbraw/zinc/67/24/04/571672404.db2.gz SPYCVPLDDLRBNH-UHFFFAOYSA-N 0 0 194.625 1.815 10 0 ADAERN C/C=C/COCCCC(C)=O 51173920 571672455 /nfs/dbraw/zinc/67/24/55/571672455.db2.gz DVJRLCICTAQZPB-ONEGZZNKSA-N 0 0 156.225 1.948 10 0 ADAERN Cc1nc2n(c1C(C)(C)O)CCCC2 213799463 571672458 /nfs/dbraw/zinc/67/24/58/571672458.db2.gz OTNSAIHNHFQWTD-UHFFFAOYSA-N 0 0 194.278 1.755 10 0 ADAERN C/C(=C\c1ccccc1C#N)CO 379286361 571672541 /nfs/dbraw/zinc/67/25/41/571672541.db2.gz MELOSFMCYWIRRU-RMKNXTFCSA-N 0 0 173.215 1.954 10 0 ADAERN O=C1OC[C@@H](CO)N1c1ccccc1 53606 571672572 /nfs/dbraw/zinc/67/25/72/571672572.db2.gz JWVAHTLOLKDVBE-SECBINFHSA-N 0 0 193.202 1.004 10 0 ADAERN Nc1c(Cl)cccc1-n1nccn1 213815145 571672590 /nfs/dbraw/zinc/67/25/90/571672590.db2.gz AEJFEGFEBVWIPP-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN C[C@H]1CC(=O)CC(C)(C)[C@H]1O 138747280 571672602 /nfs/dbraw/zinc/67/26/02/571672602.db2.gz CZFNEULXUXGILY-XPUUQOCRSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1cc(O)c(C(=O)N(C)C)cc1C 138744483 571672606 /nfs/dbraw/zinc/67/26/06/571672606.db2.gz RKVUYUMYGQXMPB-UHFFFAOYSA-N 0 0 193.246 1.711 10 0 ADAERN Nc1c(Cl)cccc1-n1ccnn1 213815065 571672610 /nfs/dbraw/zinc/67/26/10/571672610.db2.gz GZSSSQLYGYDDJZ-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN C/C=C/COc1cccc(CO)n1 51174126 571672614 /nfs/dbraw/zinc/67/26/14/571672614.db2.gz GYORXFFOBQIEDG-NSCUHMNNSA-N 0 0 179.219 1.529 10 0 ADAERN Cc1ccc(C(=O)N(C)C)c(C)c1N 85771 571672637 /nfs/dbraw/zinc/67/26/37/571672637.db2.gz VCPZGFSQODCBNG-UHFFFAOYSA-N 0 0 192.262 1.587 10 0 ADAERN Nc1cccc(Cl)c1-n1cnnc1 213814626 571672666 /nfs/dbraw/zinc/67/26/66/571672666.db2.gz HYHHDGCMEJDHOQ-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CC(=O)c1nnnn1CC1CCCC1 213786896 571672668 /nfs/dbraw/zinc/67/26/68/571672668.db2.gz NUOVFEDQWIMDRL-UHFFFAOYSA-N 0 0 194.238 1.066 10 0 ADAERN C/C=C/COc1cc(CO)ccn1 51174129 571673474 /nfs/dbraw/zinc/67/34/74/571673474.db2.gz ZOBGNXNIFAYPBT-NSCUHMNNSA-N 0 0 179.219 1.529 10 0 ADAERN C[C@H](O)/C=C\c1ccc(O)c(F)c1 379285925 571672807 /nfs/dbraw/zinc/67/28/07/571672807.db2.gz BQPLRCLXDITPJN-XDVGHUOJSA-N 0 0 182.194 1.925 10 0 ADAERN Nc1cc(Cl)ccc1-n1nccn1 213815317 571672812 /nfs/dbraw/zinc/67/28/12/571672812.db2.gz AMEIDAQIADTMTE-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN O=C1OC[C@H](CO)N1c1ccccc1 53605 571672834 /nfs/dbraw/zinc/67/28/34/571672834.db2.gz JWVAHTLOLKDVBE-VIFPVBQESA-N 0 0 193.202 1.004 10 0 ADAERN C/C=C/COCC(=O)CCC 51174020 571672780 /nfs/dbraw/zinc/67/27/80/571672780.db2.gz XSHONHBJASLBIF-HWKANZROSA-N 0 0 156.225 1.948 10 0 ADAERN Cn1nc(C(C)(C)O)c2c1CCCC2 213799367 571672854 /nfs/dbraw/zinc/67/28/54/571672854.db2.gz GVCJAHCFTDVIHC-UHFFFAOYSA-N 0 0 194.278 1.526 10 0 ADAERN C[C@@H](O)/C=C\c1ccc(O)c(F)c1 379285917 571672863 /nfs/dbraw/zinc/67/28/63/571672863.db2.gz BQPLRCLXDITPJN-SKRYNEFJSA-N 0 0 182.194 1.925 10 0 ADAERN CSc1nc2ccc(N)nc2n1C 213791230 571672889 /nfs/dbraw/zinc/67/28/89/571672889.db2.gz JFVLCKBXLYDAKZ-UHFFFAOYSA-N 0 0 194.263 1.272 10 0 ADAERN OCc1cc(-c2ccccn2)no1 53981 571672904 /nfs/dbraw/zinc/67/29/04/571672904.db2.gz XDNGMMUZVUCMJZ-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN C/C=C/COCCC(=O)OC 51173545 571672928 /nfs/dbraw/zinc/67/29/28/571672928.db2.gz XXCFTQFOMFWQNQ-ONEGZZNKSA-N 0 0 158.197 1.142 10 0 ADAERN Nc1c[nH]c(=O)c2ccc(Cl)cc12 213813219 571672934 /nfs/dbraw/zinc/67/29/34/571672934.db2.gz RWIDYVHIDREPEA-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN C/C=C/COCC(=O)OC(C)C 51173616 571672942 /nfs/dbraw/zinc/67/29/42/571672942.db2.gz VITJCPLXZWKOCE-SNAWJCMRSA-N 0 0 172.224 1.531 10 0 ADAERN C/C(=C\[C@H](C)O)c1nccnc1C 379286033 571672954 /nfs/dbraw/zinc/67/29/54/571672954.db2.gz FAIBNOVNYGYZJT-CZEYKFRCSA-N 0 0 178.235 1.569 10 0 ADAERN CO[C@H](CC1([C@H](C)O)CC1)C1CC1 400163349 571676906 /nfs/dbraw/zinc/67/69/06/571676906.db2.gz KABXDTPYAHQSPX-WCBMZHEXSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1CC(=O)CC(C)(C)[C@H]1O 138747155 571672989 /nfs/dbraw/zinc/67/29/89/571672989.db2.gz CZFNEULXUXGILY-SVRRBLITSA-N 0 0 156.225 1.373 10 0 ADAERN CC/C=C(\F)CO 90132082 571672992 /nfs/dbraw/zinc/67/29/92/571672992.db2.gz GBTPUVIDWYSGHZ-HYXAFXHYSA-N 0 0 104.124 1.242 10 0 ADAERN CCCC(=O)[C@](C)(F)C(=O)OC 213784254 571673039 /nfs/dbraw/zinc/67/30/39/571673039.db2.gz CAPIOYYJKYULHE-QMMMGPOBSA-N 0 0 176.187 1.257 10 0 ADAERN CSc1nc2c(N)ccnc2n1C 213791137 571673062 /nfs/dbraw/zinc/67/30/62/571673062.db2.gz LTISHNFHOSDSTG-UHFFFAOYSA-N 0 0 194.263 1.272 10 0 ADAERN Cc1nc([C@@H]2CCCCCN2)nn1C 213804977 571673983 /nfs/dbraw/zinc/67/39/83/571673983.db2.gz HRIOMIJQKRGIMB-VIFPVBQESA-N 0 0 194.282 1.328 10 0 ADAERN C/C(=C\[C@@H](C)O)c1nccnc1C 379286039 571673181 /nfs/dbraw/zinc/67/31/81/571673181.db2.gz FAIBNOVNYGYZJT-HYDMIIDASA-N 0 0 178.235 1.569 10 0 ADAERN CCc1nc([C@H]2CCCCN2)nn1C 213804742 571673199 /nfs/dbraw/zinc/67/31/99/571673199.db2.gz FIHIFQLWOSYQKT-MRVPVSSYSA-N 0 0 194.282 1.192 10 0 ADAERN C/C=C/COCC(=O)OCC 51173543 571673231 /nfs/dbraw/zinc/67/32/31/571673231.db2.gz FGTOOLHTORGPHO-HWKANZROSA-N 0 0 158.197 1.142 10 0 ADAERN CCOc1cc(C=O)cc2c1OCO2 138746531 571673892 /nfs/dbraw/zinc/67/38/92/571673892.db2.gz NKTJUOLSRUDNQN-UHFFFAOYSA-N 0 0 194.186 1.627 10 0 ADAERN Nc1ccc(Cl)c(-n2nccn2)c1 213814984 571673268 /nfs/dbraw/zinc/67/32/68/571673268.db2.gz JBFWRDCMXUYQTH-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN C/C=C/CO[C@@H](C)C(=O)OC 51173540 571673300 /nfs/dbraw/zinc/67/33/00/571673300.db2.gz SSTRGRRANXIRLX-KPJROHGDSA-N 0 0 158.197 1.141 10 0 ADAERN Nc1c[nH]c(=O)c2cccc(Cl)c12 213813300 571673323 /nfs/dbraw/zinc/67/33/23/571673323.db2.gz NMNQWKLSWZYGSU-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN O=C1CCCCN1CCCCCO 51020225 571673638 /nfs/dbraw/zinc/67/36/38/571673638.db2.gz AYKFYCIXQDDWQQ-UHFFFAOYSA-N 0 0 185.267 1.162 10 0 ADAERN Nc1c(Cl)cccc1-n1cnnc1 213815223 571673683 /nfs/dbraw/zinc/67/36/83/571673683.db2.gz XAXJKPAGCVVWTC-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CCCCC[C@H]1O[C@@H](OC)C[C@@H]1O 34568153 571673696 /nfs/dbraw/zinc/67/36/96/571673696.db2.gz HNCVQYQODXGQGA-IVZWLZJFSA-N 0 0 188.267 1.689 10 0 ADAERN COc1nc(Br)ns1 213819248 571673699 /nfs/dbraw/zinc/67/36/99/571673699.db2.gz PHGNLKPBPQFMEE-UHFFFAOYSA-N 0 0 195.041 1.309 10 0 ADAERN C/C=C/COCC(=O)c1cccn1C 51174104 571673762 /nfs/dbraw/zinc/67/37/62/571673762.db2.gz SCLVVXRWWDXXOO-ONEGZZNKSA-N 0 0 193.246 1.801 10 0 ADAERN O=C([O-])CCc1nc(C2CCC2)c[nH]1 213784205 571673904 /nfs/dbraw/zinc/67/39/04/571673904.db2.gz FELJDZHEZPICCP-UHFFFAOYSA-N 0 0 194.234 1.694 10 0 ADAERN Nc1c[nH]c(=O)c2cc(Cl)ccc12 213813376 571673923 /nfs/dbraw/zinc/67/39/23/571673923.db2.gz WZYCWYCTDSRJGU-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN Cc1nnc(Nc2cccnc2)s1 74319 571673937 /nfs/dbraw/zinc/67/39/37/571673937.db2.gz QUILENUBGDVVEW-UHFFFAOYSA-N 0 0 192.247 1.985 10 0 ADAERN Cc1cc(-c2cccs2)n[nH]c1=O 78711 571673947 /nfs/dbraw/zinc/67/39/47/571673947.db2.gz VZRMTEYDZZKZDV-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CC[C@@](C)(C[N@@H+]1CC[C@H](C)C1)C(=O)[O-] 51288768 571673969 /nfs/dbraw/zinc/67/39/69/571673969.db2.gz LMFKOEXACJKGDA-ONGXEEELSA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@](C)(C[N@@H+]1CC[C@H](C)C1)C(=O)[O-] 51288770 571674065 /nfs/dbraw/zinc/67/40/65/571674065.db2.gz LMFKOEXACJKGDA-GXSJLCMTSA-N 0 0 199.294 1.829 10 0 ADAERN Clc1ccc2nnn(C3CC3)c2n1 213815830 571674095 /nfs/dbraw/zinc/67/40/95/571674095.db2.gz UIBHTBZSTIBSJN-UHFFFAOYSA-N 0 0 194.625 1.815 10 0 ADAERN C/C=C/CO[C@@H](C)C(=O)OCC 51173607 571674309 /nfs/dbraw/zinc/67/43/09/571674309.db2.gz BXCGUTSQDYQSMB-JQTRYQTASA-N 0 0 172.224 1.531 10 0 ADAERN C/C=C/COCC(=O)c1ccn(C)c1 51174043 571674311 /nfs/dbraw/zinc/67/43/11/571674311.db2.gz MVZYEVZDJNXKJD-ONEGZZNKSA-N 0 0 193.246 1.801 10 0 ADAERN O[C@H](C1CC1)[C@@H]1CCCOCC1 213834909 571674494 /nfs/dbraw/zinc/67/44/94/571674494.db2.gz DBROOJFJWRQTTK-SCZZXKLOSA-N 0 0 170.252 1.574 10 0 ADAERN OCCC[C@@H](C1CC1)[C@H]1CCO1 213832737 571674511 /nfs/dbraw/zinc/67/45/11/571674511.db2.gz HTZICQLGCJSJJT-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN OC[C@H](C1CCC1)[C@H]1CCCO1 213831354 571674528 /nfs/dbraw/zinc/67/45/28/571674528.db2.gz ISGRIVLUELTKAN-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN OC[C@H](C1CCCC1)[C@H]1CCO1 213832148 571674546 /nfs/dbraw/zinc/67/45/46/571674546.db2.gz WOISKECZKRYPNB-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN COC(=O)CCc1cc(N)cc(O)c1 213835717 571674550 /nfs/dbraw/zinc/67/45/50/571674550.db2.gz IDZMTTNYLQGATK-UHFFFAOYSA-N 0 0 195.218 1.080 10 0 ADAERN O[C@@H](C1CC1)[C@@H]1CCCOCC1 213835030 571674556 /nfs/dbraw/zinc/67/45/56/571674556.db2.gz DBROOJFJWRQTTK-PSASIEDQSA-N 0 0 170.252 1.574 10 0 ADAERN C/C=C/COCCC(=O)OCC 51173560 571674587 /nfs/dbraw/zinc/67/45/87/571674587.db2.gz UIUROBHWNGIRCO-HWKANZROSA-N 0 0 172.224 1.532 10 0 ADAERN O[C@@H](C1CC1)[C@@H]1CCCCCO1 213830873 571674644 /nfs/dbraw/zinc/67/46/44/571674644.db2.gz SSFPFSGQVIFDSV-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CCC(=O)OCCC(C)(C)OC 113192267 571674652 /nfs/dbraw/zinc/67/46/52/571674652.db2.gz OWSKJORLRSWYGK-UHFFFAOYSA-N 0 0 174.240 1.755 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1ccc(CCF)cc1 213856443 571677677 /nfs/dbraw/zinc/67/76/77/571677677.db2.gz FBBYMLANPWBIRR-MRVPVSSYSA-N 0 0 195.237 1.729 10 0 ADAERN COC(=O)CCc1cc(O)ccc1N 213836936 571675157 /nfs/dbraw/zinc/67/51/57/571675157.db2.gz IVWDLWXWTYVAGO-UHFFFAOYSA-N 0 0 195.218 1.080 10 0 ADAERN CC(C)[N@H+](C/C=C/C(=O)[O-])CC1CC1 51859853 571675159 /nfs/dbraw/zinc/67/51/59/571675159.db2.gz FDGBUKFYLNDKDP-ONEGZZNKSA-N 0 0 197.278 1.748 10 0 ADAERN OC[C@H](C1CCCC1)C1COC1 213833757 571675161 /nfs/dbraw/zinc/67/51/61/571675161.db2.gz VLYUKECQNPSNKF-SNVBAGLBSA-N 0 0 170.252 1.432 10 0 ADAERN COc1cc(C(C)=O)nc(OC)c1C 213831897 571674855 /nfs/dbraw/zinc/67/48/55/571674855.db2.gz IINANKOPRNEJTH-UHFFFAOYSA-N 0 0 195.218 1.610 10 0 ADAERN O[C@@H](C1CC1)[C@H]1CCCCCO1 213830817 571674891 /nfs/dbraw/zinc/67/48/91/571674891.db2.gz SSFPFSGQVIFDSV-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN OC[C@@H](C1CCCC1)C1COC1 213833822 571674939 /nfs/dbraw/zinc/67/49/39/571674939.db2.gz VLYUKECQNPSNKF-JTQLQIEISA-N 0 0 170.252 1.432 10 0 ADAERN OC[C@@H](C1CCC1)[C@@H]1CCOC1 213833281 571674967 /nfs/dbraw/zinc/67/49/67/571674967.db2.gz WZZGMWZZDCDEKY-ZJUUUORDSA-N 0 0 170.252 1.432 10 0 ADAERN CC(=O)c1cccn1[C@@H]1CCOC1 687715143 571674979 /nfs/dbraw/zinc/67/49/79/571674979.db2.gz ARQHSODGJVIBRF-SECBINFHSA-N 0 0 179.219 1.652 10 0 ADAERN OCC[C@H](C1CC1)[C@@H]1CCCO1 213831683 571674985 /nfs/dbraw/zinc/67/49/85/571674985.db2.gz RTHGSSZVJBZYCG-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN COC(=O)c1cc(C=O)c(C)s1 213831030 571674998 /nfs/dbraw/zinc/67/49/98/571674998.db2.gz JZWQZIVRWLNXRF-UHFFFAOYSA-N 0 0 184.216 1.656 10 0 ADAERN CC[C@](C)(O)C[C@H]1COCCC1=O 234131605 571675003 /nfs/dbraw/zinc/67/50/03/571675003.db2.gz GZMCBDQDGMHIIX-WPRPVWTQSA-N 0 0 186.251 1.143 10 0 ADAERN COC(=O)c1cc(C)c(C)c(N)c1O 213832591 571675025 /nfs/dbraw/zinc/67/50/25/571675025.db2.gz AKGDADSIUKSMIZ-UHFFFAOYSA-N 0 0 195.218 1.378 10 0 ADAERN OC[C@H](C1CCC1)[C@H]1CCOC1 213833342 571675058 /nfs/dbraw/zinc/67/50/58/571675058.db2.gz WZZGMWZZDCDEKY-VHSXEESVSA-N 0 0 170.252 1.432 10 0 ADAERN O[C@H](C1CCCCC1)C1COC1 213835178 571675063 /nfs/dbraw/zinc/67/50/63/571675063.db2.gz DPOOUGJZCMNSCG-SNVBAGLBSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@H](C1CC1)[C@H]1CCCOCC1 213834858 571675084 /nfs/dbraw/zinc/67/50/84/571675084.db2.gz DBROOJFJWRQTTK-WPRPVWTQSA-N 0 0 170.252 1.574 10 0 ADAERN OC[C@H](C1CCC1)[C@@H]1CCCO1 213831232 571675122 /nfs/dbraw/zinc/67/51/22/571675122.db2.gz ISGRIVLUELTKAN-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@H](C1CCCCC1)[C@H]1CCO1 213831957 571675130 /nfs/dbraw/zinc/67/51/30/571675130.db2.gz YVOXODLZMYIYAU-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN COC(=O)c1c(C)c(C)cc(N)c1O 213832502 571675172 /nfs/dbraw/zinc/67/51/72/571675172.db2.gz WOGVHYIQYWMJJS-UHFFFAOYSA-N 0 0 195.218 1.378 10 0 ADAERN CC[N@H+](C)[C@@H]1CC[C@@H](CC(=O)[O-])C1 249988747 571675206 /nfs/dbraw/zinc/67/52/06/571675206.db2.gz MSIRINFODNLMPN-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN OCCC[C@H](C1CC1)[C@H]1CCO1 213832686 571675682 /nfs/dbraw/zinc/67/56/82/571675682.db2.gz HTZICQLGCJSJJT-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN OCCC[C@@H](C1CC1)C1COC1 213834108 571675429 /nfs/dbraw/zinc/67/54/29/571675429.db2.gz VXWUPWSWMCNAPC-JTQLQIEISA-N 0 0 170.252 1.432 10 0 ADAERN OC[C@@H](C1CCC1)[C@@H]1CCCO1 213831298 571675433 /nfs/dbraw/zinc/67/54/33/571675433.db2.gz ISGRIVLUELTKAN-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C(C)(C)C 235222736 571675368 /nfs/dbraw/zinc/67/53/68/571675368.db2.gz SWNIGJNIRISFKE-VXNVDRBHSA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@@]([NH3+])(C(=O)[O-])C1CCCCC1 114295 571675462 /nfs/dbraw/zinc/67/54/62/571675462.db2.gz PELFHYQVZBUDHG-JTQLQIEISA-N 0 0 185.267 1.759 10 0 ADAERN OCC[C@@H](C1CC1)[C@@H]1CCCO1 213831560 571675487 /nfs/dbraw/zinc/67/54/87/571675487.db2.gz RTHGSSZVJBZYCG-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN OCCC[C@@H](C1CC1)[C@@H]1CCO1 213832621 571675567 /nfs/dbraw/zinc/67/55/67/571675567.db2.gz HTZICQLGCJSJJT-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN OCC[C@@H](C1CCC1)C1COC1 213833964 571675575 /nfs/dbraw/zinc/67/55/75/571675575.db2.gz ODIPGGSHDYHCEZ-JTQLQIEISA-N 0 0 170.252 1.432 10 0 ADAERN CC(C)c1c(O)c(N)cc2c1OCO2 213829878 571675526 /nfs/dbraw/zinc/67/55/26/571675526.db2.gz HLRJTKJKNUJASB-UHFFFAOYSA-N 0 0 195.218 1.827 10 0 ADAERN CCc1sc(C)nc1C(=O)OC 111342 571675537 /nfs/dbraw/zinc/67/55/37/571675537.db2.gz CJZOMPVUWWHPJW-UHFFFAOYSA-N 0 0 185.248 1.801 10 0 ADAERN OC[C@@H](C1CC1)[C@H]1CCCOC1 213832962 571675609 /nfs/dbraw/zinc/67/56/09/571675609.db2.gz HULSTDMHALORIL-UWVGGRQHSA-N 0 0 170.252 1.432 10 0 ADAERN OCCC[C@H](C1CC1)[C@@H]1CCO1 213832555 571675636 /nfs/dbraw/zinc/67/56/36/571675636.db2.gz HTZICQLGCJSJJT-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN COC[C@@H](O)CCOc1ccccc1 53786200 571675664 /nfs/dbraw/zinc/67/56/64/571675664.db2.gz CQZINOKVGCRXHD-JTQLQIEISA-N 0 0 196.246 1.463 10 0 ADAERN OCCC[C@H](C1CC1)C1COC1 213834053 571675691 /nfs/dbraw/zinc/67/56/91/571675691.db2.gz VXWUPWSWMCNAPC-SNVBAGLBSA-N 0 0 170.252 1.432 10 0 ADAERN OCC[C@H](C1CC1)[C@H]1CCCO1 213831621 571675697 /nfs/dbraw/zinc/67/56/97/571675697.db2.gz RTHGSSZVJBZYCG-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN Nc1ccoc1C(=O)N[C@@H]1CC12CC2 335027805 571675703 /nfs/dbraw/zinc/67/57/03/571675703.db2.gz COGIFXJZMVWIHL-SSDOTTSWSA-N 0 0 192.218 1.144 10 0 ADAERN OCC[C@H](C1CCC1)[C@H]1CCO1 213832413 571675709 /nfs/dbraw/zinc/67/57/09/571675709.db2.gz FAQHVIKYRIXTCH-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN O=C([O-])[C@H]1CCCC[C@@H]1[NH2+]CC1CC1 8698807 571675733 /nfs/dbraw/zinc/67/57/33/571675733.db2.gz RRNIXNQCZICRLA-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN CO[C@@H](CC1([C@@H](C)O)CC1)C1CC1 400163347 571675735 /nfs/dbraw/zinc/67/57/35/571675735.db2.gz KABXDTPYAHQSPX-SCZZXKLOSA-N 0 0 184.279 1.963 10 0 ADAERN OC[C@@H](C1CC1)[C@@H]1CCCOC1 213833025 571675737 /nfs/dbraw/zinc/67/57/37/571675737.db2.gz HULSTDMHALORIL-ZJUUUORDSA-N 0 0 170.252 1.432 10 0 ADAERN COc1c(N)cc2c(c1C)OCCO2 213829717 571675739 /nfs/dbraw/zinc/67/57/39/571675739.db2.gz LMGYSYFKIDYAMB-UHFFFAOYSA-N 0 0 195.218 1.357 10 0 ADAERN COc1cc(CC(C)=O)c(OC)cn1 213830031 571675745 /nfs/dbraw/zinc/67/57/45/571675745.db2.gz YZVFKKMUEWQUGE-UHFFFAOYSA-N 0 0 195.218 1.230 10 0 ADAERN COC[C@H](O)CCOc1ccccc1 53786199 571675775 /nfs/dbraw/zinc/67/57/75/571675775.db2.gz CQZINOKVGCRXHD-SNVBAGLBSA-N 0 0 196.246 1.463 10 0 ADAERN COCCC[C@@H](O)c1ncccc1C 53786727 571675778 /nfs/dbraw/zinc/67/57/78/571675778.db2.gz JKTDRJAQWGXNHP-SNVBAGLBSA-N 0 0 195.262 1.850 10 0 ADAERN OC[C@@H](C1CCCC1)[C@@H]1CCO1 213832087 571675786 /nfs/dbraw/zinc/67/57/86/571675786.db2.gz WOISKECZKRYPNB-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@@H](CC(=O)[O-])[C@@H]1CC[N@@H+]1C 213868171 571677704 /nfs/dbraw/zinc/67/77/04/571677704.db2.gz PQBPMPPFSKZHIH-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN OCC[C@H](C1CCC1)C1COC1 213833904 571675832 /nfs/dbraw/zinc/67/58/32/571675832.db2.gz ODIPGGSHDYHCEZ-SNVBAGLBSA-N 0 0 170.252 1.432 10 0 ADAERN OCC[C@H](C1CCC1)[C@@H]1CCO1 213832296 571675834 /nfs/dbraw/zinc/67/58/34/571675834.db2.gz FAQHVIKYRIXTCH-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN OCC[C@H](C1CC1)[C@H]1CCOC1 213833618 571675869 /nfs/dbraw/zinc/67/58/69/571675869.db2.gz OEGJUJIPZHEOOL-VHSXEESVSA-N 0 0 170.252 1.432 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H]1CC[N@@H+]1C 213868547 571677710 /nfs/dbraw/zinc/67/77/10/571677710.db2.gz CPWGEBRACOUSSU-SFYZADRCSA-N 0 0 171.240 1.047 10 0 ADAERN COC(=O)CCc1c(N)cccc1O 213836695 571675876 /nfs/dbraw/zinc/67/58/76/571675876.db2.gz YBBOSFNZMARNOC-UHFFFAOYSA-N 0 0 195.218 1.080 10 0 ADAERN OC[C@H](C1CC1)[C@@H]1CCCOC1 213833155 571675885 /nfs/dbraw/zinc/67/58/85/571675885.db2.gz HULSTDMHALORIL-NXEZZACHSA-N 0 0 170.252 1.432 10 0 ADAERN O=C([O-])[C@H]1CCCC[C@H]1[NH2+]CC1CC1 8698808 571675894 /nfs/dbraw/zinc/67/58/94/571675894.db2.gz RRNIXNQCZICRLA-VHSXEESVSA-N 0 0 197.278 1.629 10 0 ADAERN OCC[C@@H](C1CC1)[C@H]1CCCO1 213831504 571675902 /nfs/dbraw/zinc/67/59/02/571675902.db2.gz RTHGSSZVJBZYCG-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN OCC[C@@H](C1CCC1)[C@@H]1CCO1 213832359 571675909 /nfs/dbraw/zinc/67/59/09/571675909.db2.gz FAQHVIKYRIXTCH-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN COCCC[C@H](O)c1ncccc1C 53786728 571678339 /nfs/dbraw/zinc/67/83/39/571678339.db2.gz JKTDRJAQWGXNHP-JTQLQIEISA-N 0 0 195.262 1.850 10 0 ADAERN O[C@@H](C1CCCCC1)[C@H]1CCO1 213831890 571675944 /nfs/dbraw/zinc/67/59/44/571675944.db2.gz YVOXODLZMYIYAU-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN CC(=O)c1cccn1[C@H]1CCOC1 687715144 571675973 /nfs/dbraw/zinc/67/59/73/571675973.db2.gz ARQHSODGJVIBRF-VIFPVBQESA-N 0 0 179.219 1.652 10 0 ADAERN COc1cc(CC(C)=O)cc(OC)n1 213829951 571675985 /nfs/dbraw/zinc/67/59/85/571675985.db2.gz IDQHJGCBHMROQC-UHFFFAOYSA-N 0 0 195.218 1.230 10 0 ADAERN c1cc2c(NCC3CC3)ccnc2cn1 335054393 571675988 /nfs/dbraw/zinc/67/59/88/571675988.db2.gz AWLSRITXTYYTGF-UHFFFAOYSA-N 0 0 199.257 1.874 10 0 ADAERN Fc1ccc2c(c1)CC2 138761337 571675989 /nfs/dbraw/zinc/67/59/89/571675989.db2.gz FZNQEJFZANZLBR-UHFFFAOYSA-N 0 0 122.142 1.924 10 0 ADAERN CC[C@]([NH3+])(C(=O)[O-])C1CCCCC1 114292 571676001 /nfs/dbraw/zinc/67/60/01/571676001.db2.gz PELFHYQVZBUDHG-SNVBAGLBSA-N 0 0 185.267 1.759 10 0 ADAERN O[C@H](C1CCCCC1)[C@@H]1CCO1 213831833 571676025 /nfs/dbraw/zinc/67/60/25/571676025.db2.gz YVOXODLZMYIYAU-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN COC(=O)c1c(C)c(N)cc(C)c1O 213832335 571676033 /nfs/dbraw/zinc/67/60/33/571676033.db2.gz GRNMGMUCQXIQLU-UHFFFAOYSA-N 0 0 195.218 1.378 10 0 ADAERN OC[C@H](C1CC1)[C@H]1CCCCO1 213831150 571676057 /nfs/dbraw/zinc/67/60/57/571676057.db2.gz NSDGDIPTMGMREE-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN OC(O)[C@H](C1CCCC1)C1CC1 213834552 571676065 /nfs/dbraw/zinc/67/60/65/571676065.db2.gz DFWCKBQQFJWUEK-SECBINFHSA-N 0 0 170.252 1.514 10 0 ADAERN O=C([O-])[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 8698806 571676074 /nfs/dbraw/zinc/67/60/74/571676074.db2.gz RRNIXNQCZICRLA-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN CCCOC[C@H](O)CCOCC 53786986 571676198 /nfs/dbraw/zinc/67/61/98/571676198.db2.gz PVGULEPLFKVQTM-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN OC[C@@H](C1CC1)[C@@H]1CCCCO1 213830971 571676162 /nfs/dbraw/zinc/67/61/62/571676162.db2.gz NSDGDIPTMGMREE-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN COc1cc(C=O)c(O)cc1N(C)C 213829801 571676164 /nfs/dbraw/zinc/67/61/64/571676164.db2.gz OUJNLMHUHMXZNS-UHFFFAOYSA-N 0 0 195.218 1.279 10 0 ADAERN O[C@H](C1CC1)[C@@H]1CCCCCO1 213830764 571676180 /nfs/dbraw/zinc/67/61/80/571676180.db2.gz SSFPFSGQVIFDSV-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN OC(O)C(C1CCC1)C1CCC1 213834773 571676236 /nfs/dbraw/zinc/67/62/36/571676236.db2.gz ITQLUBXQDSADBZ-UHFFFAOYSA-N 0 0 170.252 1.514 10 0 ADAERN OCC[C@@H](C1CC1)[C@@H]1CCOC1 213833550 571676239 /nfs/dbraw/zinc/67/62/39/571676239.db2.gz OEGJUJIPZHEOOL-ZJUUUORDSA-N 0 0 170.252 1.432 10 0 ADAERN O[C@@H](C1CCCCC1)C1COC1 213835117 571676264 /nfs/dbraw/zinc/67/62/64/571676264.db2.gz DPOOUGJZCMNSCG-JTQLQIEISA-N 0 0 170.252 1.574 10 0 ADAERN O[C@H](C1CC1)[C@H]1CCCCCO1 213830708 571676330 /nfs/dbraw/zinc/67/63/30/571676330.db2.gz SSFPFSGQVIFDSV-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN COc1cc(CC(C)=O)nc(OC)c1 213830891 571676269 /nfs/dbraw/zinc/67/62/69/571676269.db2.gz KLANPYMBKWIRLY-UHFFFAOYSA-N 0 0 195.218 1.230 10 0 ADAERN OC[C@@H](C1CCC1)[C@H]1CCCO1 213831413 571676283 /nfs/dbraw/zinc/67/62/83/571676283.db2.gz ISGRIVLUELTKAN-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN OCC[C@@H](C1CCC1)[C@H]1CCO1 213832469 571676304 /nfs/dbraw/zinc/67/63/04/571676304.db2.gz FAQHVIKYRIXTCH-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN COC(=O)CCc1cc(N)ccc1O 213837329 571676322 /nfs/dbraw/zinc/67/63/22/571676322.db2.gz CABYGACIJWDWTK-UHFFFAOYSA-N 0 0 195.218 1.080 10 0 ADAERN O[C@@H](C1CC1)[C@H]1CCCOCC1 213834970 571676334 /nfs/dbraw/zinc/67/63/34/571676334.db2.gz DBROOJFJWRQTTK-WCBMZHEXSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1cccc(NC(=O)C[C@H](C)O)c1 21952566 571676372 /nfs/dbraw/zinc/67/63/72/571676372.db2.gz FKSBGLDPKWGWQT-VIFPVBQESA-N 0 0 193.246 1.704 10 0 ADAERN OC[C@@H](C1CCC1)[C@H]1CCOC1 213833404 571676424 /nfs/dbraw/zinc/67/64/24/571676424.db2.gz WZZGMWZZDCDEKY-UWVGGRQHSA-N 0 0 170.252 1.432 10 0 ADAERN OCC[C@H](C1CC1)[C@@H]1CCOC1 213833494 571676524 /nfs/dbraw/zinc/67/65/24/571676524.db2.gz OEGJUJIPZHEOOL-NXEZZACHSA-N 0 0 170.252 1.432 10 0 ADAERN Cc1cccc(NC(=O)CCCO)c1 21953246 571676568 /nfs/dbraw/zinc/67/65/68/571676568.db2.gz RCLSWUXSDGHWGZ-UHFFFAOYSA-N 0 0 193.246 1.706 10 0 ADAERN CC(C)C[N@H+](C/C=C/C(=O)[O-])C(C)C 51859852 571676617 /nfs/dbraw/zinc/67/66/17/571676617.db2.gz QGPSFEPWHSGEIC-AATRIKPKSA-N 0 0 199.294 1.994 10 0 ADAERN CC[C@](C)(C(=O)C(F)(F)F)N(C)C 687715141 571676656 /nfs/dbraw/zinc/67/66/56/571676656.db2.gz JTAVDSRCXYQUHE-SSDOTTSWSA-N 0 0 197.200 1.848 10 0 ADAERN Nc1ccoc1C(=O)N[C@H]1CC12CC2 335027806 571676827 /nfs/dbraw/zinc/67/68/27/571676827.db2.gz COGIFXJZMVWIHL-ZETCQYMHSA-N 0 0 192.218 1.144 10 0 ADAERN C[C@H]([N@H+](C)C/C=C/C(=O)[O-])C(C)(C)C 51859885 571676992 /nfs/dbraw/zinc/67/69/92/571676992.db2.gz SUUJSXGPDUVBIW-UCUJLANTSA-N 0 0 199.294 1.994 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]1CCC[N@@H+]1C 213867869 571677049 /nfs/dbraw/zinc/67/70/49/571677049.db2.gz XOYLVTIHRQKQFD-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]1CCC[N@@H+]1C 213867924 571677044 /nfs/dbraw/zinc/67/70/44/571677044.db2.gz XOYLVTIHRQKQFD-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN CCC12CCC(O)(CC1)CC2=O 136556 571677062 /nfs/dbraw/zinc/67/70/62/571677062.db2.gz RCURHPCHSDFOHE-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@H]1CC[N@@H+]1C 213868341 571677072 /nfs/dbraw/zinc/67/70/72/571677072.db2.gz PQBPMPPFSKZHIH-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H]1C(=O)c2ccccc2O[C@H]1O 134665 571677316 /nfs/dbraw/zinc/67/73/16/571677316.db2.gz BDQFZKDKPMDPMY-LHLIQPBNSA-N 0 0 178.187 1.216 10 0 ADAERN CSc1nc2cc(C[NH3+])cnc2o1 213861793 571677352 /nfs/dbraw/zinc/67/73/52/571677352.db2.gz VRVWDOCSFAIBAL-UHFFFAOYSA-N 0 0 195.247 1.403 10 0 ADAERN CCCOC[C@H](O)CCCOC 53786932 571677399 /nfs/dbraw/zinc/67/73/99/571677399.db2.gz IKBPYVLHZVJDCL-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN CO[C@@H](CC1([C@H](C)O)CC1)C1CC1 400163350 571677449 /nfs/dbraw/zinc/67/74/49/571677449.db2.gz KABXDTPYAHQSPX-WPRPVWTQSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1cc(-c2onc(C)c2CO)no1 122774 571677537 /nfs/dbraw/zinc/67/75/37/571677537.db2.gz PNMXCGJWIYUFSJ-UHFFFAOYSA-N 0 0 194.190 1.439 10 0 ADAERN CO[C@H](CC1([C@@H](C)O)CC1)C1CC1 400163346 571677557 /nfs/dbraw/zinc/67/75/57/571677557.db2.gz KABXDTPYAHQSPX-PSASIEDQSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1oc2c(c1[C@@H]([NH3+])CO)CCCC2 213868087 571677635 /nfs/dbraw/zinc/67/76/35/571677635.db2.gz AUUJCLAWYLQIHF-VIFPVBQESA-N 0 0 195.262 1.459 10 0 ADAERN CCCN[C@H](c1cn[nH]n1)C(F)F 687715172 571677642 /nfs/dbraw/zinc/67/76/42/571677642.db2.gz HKKBCDLWFJMIIX-ZCFIWIBFSA-N 0 0 190.197 1.111 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]1CCC[N@@H+]1C 213866957 571677646 /nfs/dbraw/zinc/67/76/46/571677646.db2.gz CNUJYUHPIGFLGV-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN C/C=C/C=C\C(=O)N1CCCC1 213868792 571677775 /nfs/dbraw/zinc/67/77/75/571677775.db2.gz DPIQUPOVOIMCMU-SWBALALESA-N 0 0 165.236 1.741 10 0 ADAERN CSc1nc2ncc(C[NH3+])cc2o1 213861542 571677818 /nfs/dbraw/zinc/67/78/18/571677818.db2.gz HWXOVRLLUWYQRI-UHFFFAOYSA-N 0 0 195.247 1.403 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@@H]1CC[N@@H+]1C 213868491 571677941 /nfs/dbraw/zinc/67/79/41/571677941.db2.gz CPWGEBRACOUSSU-JGVFFNPUSA-N 0 0 171.240 1.047 10 0 ADAERN C[C@H]([NH3+])C(=O)c1cccc(CCF)c1 213856674 571678068 /nfs/dbraw/zinc/67/80/68/571678068.db2.gz JPMONQCNKUFJJL-QMMMGPOBSA-N 0 0 195.237 1.729 10 0 ADAERN CCc1ccc(OC)c(OC)c1C[NH3+] 213865515 571678091 /nfs/dbraw/zinc/67/80/91/571678091.db2.gz MKXFZSKZVGZICQ-UHFFFAOYSA-N 0 0 195.262 1.725 10 0 ADAERN CC(C)C[N@H+](C/C=C/C(=O)[O-])C1CC1 51859843 571678094 /nfs/dbraw/zinc/67/80/94/571678094.db2.gz MBHDSFAHIGJRIA-ONEGZZNKSA-N 0 0 197.278 1.748 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@@H]1CC[NH2+]C1 213866236 571678119 /nfs/dbraw/zinc/67/81/19/571678119.db2.gz NSKHIGCJTPVVTR-HTQZYQBOSA-N 0 0 171.240 1.097 10 0 ADAERN Cn1cc(NCc2cnoc2)cn1 687715139 571678169 /nfs/dbraw/zinc/67/81/69/571678169.db2.gz USMCHFGAFAPIKP-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]1CCC[N@@H+]1C 213867754 571678180 /nfs/dbraw/zinc/67/81/80/571678180.db2.gz XOYLVTIHRQKQFD-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CC[N@H+](C)[C@H]1CC[C@@H](CC(=O)[O-])C1 249988744 571678201 /nfs/dbraw/zinc/67/82/01/571678201.db2.gz MSIRINFODNLMPN-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@H]1CC[N@@H+]1C 213868817 571678206 /nfs/dbraw/zinc/67/82/06/571678206.db2.gz CTNLMVXPLRIUOQ-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN C/C=C/C(=O)NC(CC)(CC)CO 53071244 571678210 /nfs/dbraw/zinc/67/82/10/571678210.db2.gz VWPJSTDKQXUFGV-QPJJXVBHSA-N 0 0 185.267 1.230 10 0 ADAERN Cc1oc2c(c1[C@H]([NH3+])CO)CCCC2 213868030 571678216 /nfs/dbraw/zinc/67/82/16/571678216.db2.gz AUUJCLAWYLQIHF-SECBINFHSA-N 0 0 195.262 1.459 10 0 ADAERN CC[C@@H](CCC(=O)[O-])C1C[NH2+]C1 213866706 571678486 /nfs/dbraw/zinc/67/84/86/571678486.db2.gz XLJFKBQAWBFJLB-ZETCQYMHSA-N 0 0 171.240 1.097 10 0 ADAERN CCCOC[C@@H](O)CCOCC 53786987 571678240 /nfs/dbraw/zinc/67/82/40/571678240.db2.gz PVGULEPLFKVQTM-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN CCN1CCC(=O)[C@H]1[C@@](C)(CC)OC 712078264 571678241 /nfs/dbraw/zinc/67/82/41/571678241.db2.gz FJLZQKFJMSWCLT-WDEREUQCSA-N 0 0 199.294 1.465 10 0 ADAERN CCc1cc(C[NH3+])c(OC)c(OC)c1 213865894 571678244 /nfs/dbraw/zinc/67/82/44/571678244.db2.gz YIYVQIFLSNBPKN-UHFFFAOYSA-N 0 0 195.262 1.725 10 0 ADAERN O=C(C[C@H]1CCCO1)c1cncs1 687715164 571678263 /nfs/dbraw/zinc/67/82/63/571678263.db2.gz BMWVWLRVSGFTDD-SSDOTTSWSA-N 0 0 197.259 1.895 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@@H]1CC[NH2+]C1 213866183 571678284 /nfs/dbraw/zinc/67/82/84/571678284.db2.gz NSKHIGCJTPVVTR-JGVFFNPUSA-N 0 0 171.240 1.097 10 0 ADAERN c1ccc2c(N3CCCN3)ccnc2c1 334983434 571678291 /nfs/dbraw/zinc/67/82/91/571678291.db2.gz LHMQDVVSAVPQFC-UHFFFAOYSA-N 0 0 199.257 1.950 10 0 ADAERN CCCN[C@@H](c1cn[nH]n1)C(F)F 687715171 571678572 /nfs/dbraw/zinc/67/85/72/571678572.db2.gz HKKBCDLWFJMIIX-LURJTMIESA-N 0 0 190.197 1.111 10 0 ADAERN C[C@H](O)C[C@H](O)c1ccc(F)cc1 21951139 571678321 /nfs/dbraw/zinc/67/83/21/571678321.db2.gz ZIFUBUOCSFCIAJ-XVKPBYJWSA-N 0 0 184.210 1.630 10 0 ADAERN C[C@H]1C(=O)c2ccccc2O[C@@H]1O 134662 571678323 /nfs/dbraw/zinc/67/83/23/571678323.db2.gz BDQFZKDKPMDPMY-WKEGUHRASA-N 0 0 178.187 1.216 10 0 ADAERN CC[C@@H](CC(=O)[O-])[C@H]1CC[N@@H+]1C 213868281 571678325 /nfs/dbraw/zinc/67/83/25/571678325.db2.gz PQBPMPPFSKZHIH-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H](O)C[C@@H](O)c1ccc(F)cc1 21951135 571678329 /nfs/dbraw/zinc/67/83/29/571678329.db2.gz ZIFUBUOCSFCIAJ-OIBJUYFYSA-N 0 0 184.210 1.630 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@@H]1CC[N@@H+]1C 213868228 571678332 /nfs/dbraw/zinc/67/83/32/571678332.db2.gz PQBPMPPFSKZHIH-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@H](CCC(=O)[O-])C1C[NH2+]C1 213866759 571678345 /nfs/dbraw/zinc/67/83/45/571678345.db2.gz XLJFKBQAWBFJLB-SSDOTTSWSA-N 0 0 171.240 1.097 10 0 ADAERN CC(C)C[C@H](C)[N@H+](C)C/C=C/C(=O)[O-] 51859847 571678359 /nfs/dbraw/zinc/67/83/59/571678359.db2.gz QUERRKHYMSAXIY-PORFMDCZSA-N 0 0 199.294 1.994 10 0 ADAERN Nc1cnn(-c2nc3ccccc3[nH]2)c1 70603337 571678434 /nfs/dbraw/zinc/67/84/34/571678434.db2.gz XCGMLXTYRKIQPW-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN C[S@@](=N)(=O)c1cccs1 125234 571678506 /nfs/dbraw/zinc/67/85/06/571678506.db2.gz NFABOTBPZUPJCQ-SECBINFHSA-N 0 0 161.251 1.784 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1cccc(CCF)c1 213856727 571678520 /nfs/dbraw/zinc/67/85/20/571678520.db2.gz JPMONQCNKUFJJL-MRVPVSSYSA-N 0 0 195.237 1.729 10 0 ADAERN CCCN(C(N)=S)C1CC1 37097274 571678528 /nfs/dbraw/zinc/67/85/28/571678528.db2.gz UEAXRJDNYGNQDE-UHFFFAOYSA-N 0 0 158.270 1.104 10 0 ADAERN CC(C)c1ccc([C@H](O)C[NH3+])c(O)c1 213868174 571678545 /nfs/dbraw/zinc/67/85/45/571678545.db2.gz MUSXUPBFANFTCF-LLVKDONJSA-N 0 0 195.262 1.508 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]1CCC[N@@H+]1C 213866843 571678553 /nfs/dbraw/zinc/67/85/53/571678553.db2.gz CNUJYUHPIGFLGV-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]([NH3+])C(=O)c1ccc(CCF)cc1 213856386 571678617 /nfs/dbraw/zinc/67/86/17/571678617.db2.gz FBBYMLANPWBIRR-QMMMGPOBSA-N 0 0 195.237 1.729 10 0 ADAERN CCCOC[C@@H](O)CCCOC 53786933 571678641 /nfs/dbraw/zinc/67/86/41/571678641.db2.gz IKBPYVLHZVJDCL-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]1CCC[N@@H+]1C 213867809 571678654 /nfs/dbraw/zinc/67/86/54/571678654.db2.gz XOYLVTIHRQKQFD-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@H]1CC[N@@H+]1C 213868875 571678662 /nfs/dbraw/zinc/67/86/62/571678662.db2.gz CTNLMVXPLRIUOQ-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@H]1CC[NH2+]C1 213866292 571678675 /nfs/dbraw/zinc/67/86/75/571678675.db2.gz NSKHIGCJTPVVTR-YUMQZZPRSA-N 0 0 171.240 1.097 10 0 ADAERN O=C1CC/C(=C/c2ccco2)O1 122404 571678706 /nfs/dbraw/zinc/67/87/06/571678706.db2.gz BNRBDGQESYMTJJ-VURMDHGXSA-N 0 0 164.160 1.958 10 0 ADAERN Nc1ccn(-c2nc3ccccc3[nH]2)n1 70603350 571678711 /nfs/dbraw/zinc/67/87/11/571678711.db2.gz AJLTYLPCWJOEHK-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN CC[C@@](C)(C(=O)C(F)(F)F)N(C)C 687715142 571678755 /nfs/dbraw/zinc/67/87/55/571678755.db2.gz JTAVDSRCXYQUHE-ZETCQYMHSA-N 0 0 197.200 1.848 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]1CCC[N@@H+]1C 213867665 571678805 /nfs/dbraw/zinc/67/88/05/571678805.db2.gz CNUJYUHPIGFLGV-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN COc1cccc(OC(C)C)c1C[NH3+] 213867410 571678814 /nfs/dbraw/zinc/67/88/14/571678814.db2.gz ANWGXLFFYJYCGQ-UHFFFAOYSA-N 0 0 195.262 1.941 10 0 ADAERN CC1(C)OC[C@@H](/C=C/CCCO)O1 8700016 571678829 /nfs/dbraw/zinc/67/88/29/571678829.db2.gz MXCPZVKQYPKOQR-OTQAPUNGSA-N 0 0 186.251 1.467 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@@H]1CC[N@@H+]1C 213868703 571678864 /nfs/dbraw/zinc/67/88/64/571678864.db2.gz CTNLMVXPLRIUOQ-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)c1ccn([C@H]2CCOC2)c1 687715183 571678885 /nfs/dbraw/zinc/67/88/85/571678885.db2.gz MZNPVAATYQEKEK-JTQLQIEISA-N 0 0 179.219 1.652 10 0 ADAERN C[C@@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C1CCC1 235222770 571678915 /nfs/dbraw/zinc/67/89/15/571678915.db2.gz QSCWJEXMJYOGNP-GMSGAONNSA-N 0 0 197.278 1.628 10 0 ADAERN CC(=O)c1ccn([C@@H]2CCOC2)c1 687715184 571678941 /nfs/dbraw/zinc/67/89/41/571678941.db2.gz MZNPVAATYQEKEK-SNVBAGLBSA-N 0 0 179.219 1.652 10 0 ADAERN COc1cc(C)c(C[NH3+])c(OC)c1C 213867039 571678966 /nfs/dbraw/zinc/67/89/66/571678966.db2.gz HNECIPYGHGNCTQ-UHFFFAOYSA-N 0 0 195.262 1.779 10 0 ADAERN C[NH2+]Cc1cc(OC)cc(C)c1OC 213866665 571678982 /nfs/dbraw/zinc/67/89/82/571678982.db2.gz RMTOAYXMZRIKDZ-UHFFFAOYSA-N 0 0 195.262 1.732 10 0 ADAERN CO[C@H](C)C(=O)C(F)(F)F 687798425 571679019 /nfs/dbraw/zinc/67/90/19/571679019.db2.gz BGZZZTWQWJEHJF-GSVOUGTGSA-N 0 0 156.103 1.153 10 0 ADAERN O=C(C[C@@H]1CCCO1)c1cncs1 687715166 571679054 /nfs/dbraw/zinc/67/90/54/571679054.db2.gz BMWVWLRVSGFTDD-ZETCQYMHSA-N 0 0 197.259 1.895 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@@H]1CC[N@@H+]1C 213868763 571679083 /nfs/dbraw/zinc/67/90/83/571679083.db2.gz CTNLMVXPLRIUOQ-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CCC[NH2+]CCCCCC(=O)[O-] 70597081 571679100 /nfs/dbraw/zinc/67/91/00/571679100.db2.gz QIICHZWOUFYGIN-UHFFFAOYSA-N 0 0 173.256 1.631 10 0 ADAERN CC(C)c1ccc([C@@H](O)C[NH3+])c(O)c1 213868227 571679119 /nfs/dbraw/zinc/67/91/19/571679119.db2.gz MUSXUPBFANFTCF-NSHDSACASA-N 0 0 195.262 1.508 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@H]1CC[N@@H+]1C 213868618 571679163 /nfs/dbraw/zinc/67/91/63/571679163.db2.gz CPWGEBRACOUSSU-HTQZYQBOSA-N 0 0 171.240 1.047 10 0 ADAERN C[C@@H]1C[C@H]1[NH2+]CCCCCC(=O)[O-] 70597272 571679266 /nfs/dbraw/zinc/67/92/66/571679266.db2.gz ZONCOFOZYYVLRM-RKDXNWHRSA-N 0 0 185.267 1.629 10 0 ADAERN CCCN(C(N)=S)C(C)C 37095965 571679355 /nfs/dbraw/zinc/67/93/55/571679355.db2.gz JEODWPVBOLJLCU-UHFFFAOYSA-N 0 0 160.286 1.350 10 0 ADAERN C[C@H]1C[C@@H]1[NH2+]CCCCCC(=O)[O-] 70597271 571679373 /nfs/dbraw/zinc/67/93/73/571679373.db2.gz ZONCOFOZYYVLRM-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H]1CCc2c(C=O)cncc21 899546 571679382 /nfs/dbraw/zinc/67/93/82/571679382.db2.gz OPRAONAUWNNOOV-ZETCQYMHSA-N 0 0 161.204 1.944 10 0 endogenous,in-man ADAERN CO[C@@H](C)C(=O)C(F)(F)F 687798426 571679408 /nfs/dbraw/zinc/67/94/08/571679408.db2.gz BGZZZTWQWJEHJF-VKHMYHEASA-N 0 0 156.103 1.153 10 0 ADAERN O=C([O-])CCCCC[NH2+]C1CC1 70596989 571679431 /nfs/dbraw/zinc/67/94/31/571679431.db2.gz USQRHKDILSGIDM-UHFFFAOYSA-N 0 0 171.240 1.383 10 0 ADAERN CC(C)c1c(C(=O)[C@H](C)N)ncn1C 213877778 571680838 /nfs/dbraw/zinc/68/08/38/571680838.db2.gz XIJAKIHNTLKOLY-ZETCQYMHSA-N 0 0 195.266 1.073 10 0 ADAERN C/C=C/C[C@](O)(CO)c1ccccc1 34568284 571679558 /nfs/dbraw/zinc/67/95/58/571679558.db2.gz WWXAEOYOYJFSLG-JDGPPOGSSA-N 0 0 192.258 1.833 10 0 ADAERN CCOCC[C@H](O)Cc1cccnc1 53787729 571679578 /nfs/dbraw/zinc/67/95/78/571679578.db2.gz QTHXKJUAODOKLK-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN O=C([O-])CCCCC[NH2+]C1CCC1 70597265 571679629 /nfs/dbraw/zinc/67/96/29/571679629.db2.gz VILGQSORJNVVFO-UHFFFAOYSA-N 0 0 185.267 1.774 10 0 ADAERN [O-]C1=[NH+][C@H]2C=C(Cl)C=CC2=CN1 22009909 571679820 /nfs/dbraw/zinc/67/98/20/571679820.db2.gz CZCMPBLFUUAIER-ZETCQYMHSA-N 0 0 182.610 1.244 10 0 ADAERN CN[C@@H](C(F)F)C1(C)CC1 687798448 571679835 /nfs/dbraw/zinc/67/98/35/571679835.db2.gz YCOYKGWLDMJGNK-YFKPBYRVSA-N 0 0 149.184 1.640 10 0 ADAERN C[C@@H]1C[C@@H]1[NH2+]CCCCCC(=O)[O-] 70597270 571679859 /nfs/dbraw/zinc/67/98/59/571679859.db2.gz ZONCOFOZYYVLRM-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H]1C[C@H]1[NH2+]CCCCCC(=O)[O-] 70597273 571679938 /nfs/dbraw/zinc/67/99/38/571679938.db2.gz ZONCOFOZYYVLRM-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN COCCCC(=O)c1ncccn1 53766409 571679945 /nfs/dbraw/zinc/67/99/45/571679945.db2.gz YFZCGIPYNVDLEC-UHFFFAOYSA-N 0 0 180.207 1.086 10 0 ADAERN CCOC(=O)CCCCCOC 70596931 571680003 /nfs/dbraw/zinc/68/00/03/571680003.db2.gz WEZARSPIKIEHQZ-UHFFFAOYSA-N 0 0 174.240 1.756 10 0 ADAERN COCCCC(=O)c1ccccn1 53763762 571680127 /nfs/dbraw/zinc/68/01/27/571680127.db2.gz ITCXTEWHUYNASF-UHFFFAOYSA-N 0 0 179.219 1.691 10 0 ADAERN CC[C@@H](C)/C=C\OCCO 213878025 571680194 /nfs/dbraw/zinc/68/01/94/571680194.db2.gz WRDRQQVFNLNRFW-RZAAKKIOSA-N 0 0 144.214 1.555 10 0 ADAERN CC(C)[N@H+](C)CCCCCC(=O)[O-] 70595949 571680206 /nfs/dbraw/zinc/68/02/06/571680206.db2.gz VRUKNPVQMNBSKM-UHFFFAOYSA-N 0 0 187.283 1.972 10 0 ADAERN COc1cc(NCC(C)C)c(N)cn1 213875670 571680280 /nfs/dbraw/zinc/68/02/80/571680280.db2.gz KWIFMAIUUVNULG-UHFFFAOYSA-N 0 0 195.266 1.740 10 0 ADAERN CCOCCC(=O)c1cnccn1 53766336 571680370 /nfs/dbraw/zinc/68/03/70/571680370.db2.gz SXCOXJVYYUILPP-UHFFFAOYSA-N 0 0 180.207 1.086 10 0 ADAERN C/C=C/COCCNCC(F)(F)F 53589730 571680421 /nfs/dbraw/zinc/68/04/21/571680421.db2.gz PQHVHOXAFNYBGR-NSCUHMNNSA-N 0 0 197.200 1.731 10 0 ADAERN CC[NH2+]CCCCCC(=O)[O-] 70596993 571680453 /nfs/dbraw/zinc/68/04/53/571680453.db2.gz IVQGWKKCFSUIBJ-UHFFFAOYSA-N 0 0 159.229 1.241 10 0 ADAERN COCCC[C@@H](O)Cc1cccnc1 53787676 571680598 /nfs/dbraw/zinc/68/05/98/571680598.db2.gz DQEVBYDJWWUJFE-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN C[C@H]1COc2cccc(C=O)c21 22005113 571680618 /nfs/dbraw/zinc/68/06/18/571680618.db2.gz KKJBIWWNCUDYGD-ZETCQYMHSA-N 0 0 162.188 1.995 10 0 ADAERN COc1nccc(NC(C)(C)C)c1N 213875240 571680682 /nfs/dbraw/zinc/68/06/82/571680682.db2.gz SYXHKYIWPZPTCS-UHFFFAOYSA-N 0 0 195.266 1.883 10 0 ADAERN CN[C@H](C(F)F)C1(C)CC1 687798447 571680695 /nfs/dbraw/zinc/68/06/95/571680695.db2.gz YCOYKGWLDMJGNK-RXMQYKEDSA-N 0 0 149.184 1.640 10 0 ADAERN COc1cc(NC(C)(C)C)c(N)cn1 213875755 571680794 /nfs/dbraw/zinc/68/07/94/571680794.db2.gz OBZJUVZBDCMXBS-UHFFFAOYSA-N 0 0 195.266 1.883 10 0 ADAERN C/C=C/C[C@@](O)(CO)c1ccccc1 34568282 571680853 /nfs/dbraw/zinc/68/08/53/571680853.db2.gz WWXAEOYOYJFSLG-QAVQXKDTSA-N 0 0 192.258 1.833 10 0 ADAERN COc1nccc(NCC(C)C)c1N 213875150 571680974 /nfs/dbraw/zinc/68/09/74/571680974.db2.gz KOUWJDRUQHQNMX-UHFFFAOYSA-N 0 0 195.266 1.740 10 0 ADAERN CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC=O 22006340 571681040 /nfs/dbraw/zinc/68/10/40/571681040.db2.gz LCCSEGCDUBRRFL-IQJOONFLSA-N 0 0 181.279 1.947 10 0 ADAERN CCOCC[C@@H](O)Cc1cccnc1 53787730 571681056 /nfs/dbraw/zinc/68/10/56/571681056.db2.gz QTHXKJUAODOKLK-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN CC1(C)CCC[C@](C)(O)C1=O 1594276 571681069 /nfs/dbraw/zinc/68/10/69/571681069.db2.gz FWCGLHYHGUHPRY-VIFPVBQESA-N 0 0 156.225 1.517 10 0 endogenous,in-man ADAERN CCCOCC(=O)CCOC 53779890 571681191 /nfs/dbraw/zinc/68/11/91/571681191.db2.gz GANWVQCPMVTBKC-UHFFFAOYSA-N 0 0 160.213 1.019 10 0 ADAERN CC(C)c1c(C(=O)[C@@H](C)N)ncn1C 213877716 571681269 /nfs/dbraw/zinc/68/12/69/571681269.db2.gz XIJAKIHNTLKOLY-SSDOTTSWSA-N 0 0 195.266 1.073 10 0 ADAERN CC[N@H+](C)[C@]1(C(=O)[O-])CCCC[C@H]1C 249989867 571681409 /nfs/dbraw/zinc/68/14/09/571681409.db2.gz MUZJKYXQUBPOLI-MWLCHTKSSA-N 0 0 199.294 1.972 10 0 ADAERN Cn1nccc1[C@@H](O)c1cccs1 22006877 571681573 /nfs/dbraw/zinc/68/15/73/571681573.db2.gz BMXHXTJSAIJFIY-SECBINFHSA-N 0 0 194.259 1.563 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@H+](CC)[C@H](C)C1CC1 324128530 571681695 /nfs/dbraw/zinc/68/16/95/571681695.db2.gz VCOLPJQXKXTDMV-SCZZXKLOSA-N 0 0 199.294 1.970 10 0 ADAERN Oc1ccc(Nc2nncs2)cc1 179912 571681811 /nfs/dbraw/zinc/68/18/11/571681811.db2.gz UHPNLGBLSACRCW-UHFFFAOYSA-N 0 0 193.231 1.987 10 0 ADAERN COCCCC(=O)CCOC 53767942 571681873 /nfs/dbraw/zinc/68/18/73/571681873.db2.gz XNZVEHAIXUTUGV-UHFFFAOYSA-N 0 0 160.213 1.019 10 0 ADAERN CCc1c(N)c2ccccc2[nH]c1=O 173551 571682007 /nfs/dbraw/zinc/68/20/07/571682007.db2.gz KCPZXJDHALIFED-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN C[C@@H](CCC(=O)[O-])C1C[NH+](C)C1 213869630 571682045 /nfs/dbraw/zinc/68/20/45/571682045.db2.gz NQYGMMUVJZKKNF-ZETCQYMHSA-N 0 0 171.240 1.049 10 0 ADAERN CC1(C)[C@@H](NC=O)[C@@]2(C)CC[C@@H]1C2 160387 571682079 /nfs/dbraw/zinc/68/20/79/571682079.db2.gz HEAPZMBCQFVXPU-KKZNHRDASA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)n1nnc([C@H]2CCCCN2)n1 213881131 571682129 /nfs/dbraw/zinc/68/21/29/571682129.db2.gz UWZJHWGADGZKQM-MRVPVSSYSA-N 0 0 195.270 1.069 10 0 ADAERN COCCCC(=O)C[C@@H]1CCCO1 53764667 571682150 /nfs/dbraw/zinc/68/21/50/571682150.db2.gz OTZIFSOQUNZPTH-JTQLQIEISA-N 0 0 186.251 1.551 10 0 ADAERN CC(C)n1nnc([C@@H]2CCCCN2)n1 213881074 571682199 /nfs/dbraw/zinc/68/21/99/571682199.db2.gz UWZJHWGADGZKQM-QMMMGPOBSA-N 0 0 195.270 1.069 10 0 ADAERN CCc1c(OC)ccc(C[NH3+])c1OC 213870004 571682204 /nfs/dbraw/zinc/68/22/04/571682204.db2.gz IJENOGSRGNBZAQ-UHFFFAOYSA-N 0 0 195.262 1.725 10 0 ADAERN CC1(C)CC[C@]12C(=O)CCN2C1CC1 712078750 571682264 /nfs/dbraw/zinc/68/22/64/571682264.db2.gz KFAUBMOMERKKSW-LBPRGKRZSA-N 0 0 193.290 1.982 10 0 ADAERN [O-]C1=[NH+][C@@H]2C=C(Cl)C=CC2=CN1 22009912 571682283 /nfs/dbraw/zinc/68/22/83/571682283.db2.gz CZCMPBLFUUAIER-SSDOTTSWSA-N 0 0 182.610 1.244 10 0 ADAERN CCCOCC(=O)CCOCC 53779903 571682328 /nfs/dbraw/zinc/68/23/28/571682328.db2.gz XMJJWIDKWIVDAD-UHFFFAOYSA-N 0 0 174.240 1.409 10 0 ADAERN COCCCC(=O)CC(F)(F)F 53767721 571682438 /nfs/dbraw/zinc/68/24/38/571682438.db2.gz VIVSIMPNTXRZTQ-UHFFFAOYSA-N 0 0 184.157 1.935 10 0 ADAERN C[C@H](O)c1ccc2sc(=O)oc2c1 213938207 571682650 /nfs/dbraw/zinc/68/26/50/571682650.db2.gz CQKLHJAJDPAVDE-YFKPBYRVSA-N 0 0 196.227 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/nfs/dbraw/zinc/69/68/18/571696818.db2.gz DCYHNRVEJOVWLS-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@@H]1CCC[C@@H](OC(=O)CNC)C1 70564124 571696836 /nfs/dbraw/zinc/69/68/36/571696836.db2.gz DCYHNRVEJOVWLS-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN Cc1ccc2nc(CO)c(Cl)n2c1 213983597 571697182 /nfs/dbraw/zinc/69/71/82/571697182.db2.gz JSVODEXPFQMLJH-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN CCO[C@@H](C)[C@H](O)C(F)F 687798473 571697076 /nfs/dbraw/zinc/69/70/76/571697076.db2.gz DVMCVUILMSRDTH-WHFBIAKZSA-N 0 0 154.156 1.037 10 0 ADAERN C[C@@H](O)C1(CCCCCO)CC1 235230480 571697114 /nfs/dbraw/zinc/69/71/14/571697114.db2.gz JSXYZJCCLIWMPB-SECBINFHSA-N 0 0 172.268 1.700 10 0 ADAERN C[C@@H](O)[C@H](O)CCCc1ccccc1 235236362 571697127 /nfs/dbraw/zinc/69/71/27/571697127.db2.gz TXIYTKHCJVMKLD-ZYHUDNBSSA-N 0 0 194.274 1.751 10 0 ADAERN COC[C@H](O)[C@@H]1CCC[C@@H](OC)C1 686318167 571697207 /nfs/dbraw/zinc/69/72/07/571697207.db2.gz SUQIIMNAOSDQLE-BBBLOLIVSA-N 0 0 188.267 1.199 10 0 ADAERN Oc1cccc([C@@H]2CC(Cl)=NN2)c1 213980780 571697330 /nfs/dbraw/zinc/69/73/30/571697330.db2.gz UOYSMRNSJBJGCX-QMMMGPOBSA-N 0 0 196.637 1.979 10 0 ADAERN O=C([O-])[C@H]1CC[N@@H+]1CCC(F)(F)F 213994152 571697416 /nfs/dbraw/zinc/69/74/16/571697416.db2.gz NASUUGNUSMQBCA-RXMQYKEDSA-N 0 0 197.156 1.098 10 0 ADAERN CC(C)C[C@H](N)c1nnc(N(C)C)o1 11587298 571697438 /nfs/dbraw/zinc/69/74/38/571697438.db2.gz RUHNRDUZBBWAMA-ZETCQYMHSA-N 0 0 198.270 1.182 10 0 ADAERN COc1cc(C=O)ccc1CCCO 113209616 571697573 /nfs/dbraw/zinc/69/75/73/571697573.db2.gz MDFBWGWRUUZRCQ-UHFFFAOYSA-N 0 0 194.230 1.433 10 0 ADAERN CCc1nnc([C@H](N)CC(C)C)o1 11586573 571697603 /nfs/dbraw/zinc/69/76/03/571697603.db2.gz UHAPEFMIYDOMRO-SSDOTTSWSA-N 0 0 183.255 1.678 10 0 ADAERN C/C=C/[C@@H](CC(C)=O)OC(C)=O 207239597 571697638 /nfs/dbraw/zinc/69/76/38/571697638.db2.gz ZARDGNOLXSERFZ-MOVJSRMASA-N 0 0 170.208 1.473 10 0 ADAERN CC[C@H](C)O[C@@H](C)C(N)=S 687798488 571697679 /nfs/dbraw/zinc/69/76/79/571697679.db2.gz LOWOBEBLXNWMFZ-WDSKDSINSA-N 0 0 161.270 1.476 10 0 ADAERN CCO[C@@H](C(C)=O)c1cscn1 687798759 571698421 /nfs/dbraw/zinc/69/84/21/571698421.db2.gz JKUMRQGERDYMIB-QMMMGPOBSA-N 0 0 185.248 1.810 10 0 ADAERN CCCN(CC(=O)[O-])c1cc[nH+]cc1 38021302 571697713 /nfs/dbraw/zinc/69/77/13/571697713.db2.gz DUSWVLFQMUXMKV-UHFFFAOYSA-N 0 0 194.234 1.383 10 0 ADAERN CCO[C@H](C)[C@H](O)C(F)F 687798472 571697740 /nfs/dbraw/zinc/69/77/40/571697740.db2.gz DVMCVUILMSRDTH-UHNVWZDZSA-N 0 0 154.156 1.037 10 0 ADAERN COC(OC)[C@@H](O)CCCC(F)F 687893785 571697747 /nfs/dbraw/zinc/69/77/47/571697747.db2.gz YUOJNTMBGZWTDJ-LURJTMIESA-N 0 0 198.209 1.402 10 0 ADAERN CCC[C@H](C)C[NH+]1CC(C(=O)[O-])C1 70569806 571697749 /nfs/dbraw/zinc/69/77/49/571697749.db2.gz REFNFKUFZJCZSF-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN Cn1nc(Cl)c2ccc(CO)cc21 213983862 571697839 /nfs/dbraw/zinc/69/78/39/571697839.db2.gz CTLZHAOUNJXHMU-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN O=C([O-])[C@@H]1CC[N@@H+]1CCC(F)(F)F 213994093 571697929 /nfs/dbraw/zinc/69/79/29/571697929.db2.gz NASUUGNUSMQBCA-YFKPBYRVSA-N 0 0 197.156 1.098 10 0 ADAERN CCO[C@@H](C)[C@@H](O)C(F)F 687798470 571697942 /nfs/dbraw/zinc/69/79/42/571697942.db2.gz DVMCVUILMSRDTH-CRCLSJGQSA-N 0 0 154.156 1.037 10 0 ADAERN CCC[NH2+][C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 70620531 571697945 /nfs/dbraw/zinc/69/79/45/571697945.db2.gz QTHFLJRKICZTSM-QCLAVDOMSA-N 0 0 197.278 1.485 10 0 ADAERN CC(C)SC[C@H](O)C(F)F 687798475 571697969 /nfs/dbraw/zinc/69/79/69/571697969.db2.gz QHVIZAXYXMJVMU-YFKPBYRVSA-N 0 0 170.224 1.754 10 0 ADAERN CC[C@@H](C)C[NH+]1CC(C(=O)[O-])C1 70569664 571698017 /nfs/dbraw/zinc/69/80/17/571698017.db2.gz TUMLLPKKXKZHBI-SSDOTTSWSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1ccn2c(Cl)c(CO)nc2c1 213983437 571698037 /nfs/dbraw/zinc/69/80/37/571698037.db2.gz NXNIBWKMPVJZSM-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN COC(OC)[C@H](C)NCc1ccco1 70622376 571698221 /nfs/dbraw/zinc/69/82/21/571698221.db2.gz SLNRPOMEOWUXKA-QMMMGPOBSA-N 0 0 199.250 1.377 10 0 ADAERN Cc1cccc2nc(CO)c(Cl)n12 213983344 571698323 /nfs/dbraw/zinc/69/83/23/571698323.db2.gz BMSLGGNXOOUNDQ-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN CC[C@@H](C)O[C@@H](C)C(N)=S 687798487 571698354 /nfs/dbraw/zinc/69/83/54/571698354.db2.gz LOWOBEBLXNWMFZ-RITPCOANSA-N 0 0 161.270 1.476 10 0 ADAERN CNc1nc(Cl)cn2cc(C)nc12 213987176 571698378 /nfs/dbraw/zinc/69/83/78/571698378.db2.gz RIIWSZFTGPJPAU-UHFFFAOYSA-N 0 0 196.641 1.733 10 0 ADAERN C[C@@H](O)c1ccn(COCC2CC2)c1 235233341 571698390 /nfs/dbraw/zinc/69/83/90/571698390.db2.gz BZWVZGVAXSDUKO-SECBINFHSA-N 0 0 195.262 1.926 10 0 ADAERN CC(C)c1cc2c(Cl)nncn2n1 213987338 571698437 /nfs/dbraw/zinc/69/84/37/571698437.db2.gz GYNHWXFHQBVGRX-UHFFFAOYSA-N 0 0 196.641 1.901 10 0 ADAERN CC(C)C[C@H](N)c1nnc(C2CC2)o1 11586583 571698479 /nfs/dbraw/zinc/69/84/79/571698479.db2.gz KCPOYTYRIRAXMT-QMMMGPOBSA-N 0 0 195.266 1.993 10 0 ADAERN CC(C)SC[C@@H](O)C(F)F 687798474 571698548 /nfs/dbraw/zinc/69/85/48/571698548.db2.gz QHVIZAXYXMJVMU-RXMQYKEDSA-N 0 0 170.224 1.754 10 0 ADAERN CCCOC(=O)CC(C)=O 144916027 571698550 /nfs/dbraw/zinc/69/85/50/571698550.db2.gz MNZFLFPWVQKJIH-AATRIKPKSA-N 0 0 144.170 1.401 10 0 ADAERN COC[C@H](O)[C@H]1CCC[C@H](OC)C1 686318169 571698562 /nfs/dbraw/zinc/69/85/62/571698562.db2.gz SUQIIMNAOSDQLE-GUBZILKMSA-N 0 0 188.267 1.199 10 0 ADAERN COC(OC)[C@H](O)CCCC(F)F 687893793 571698665 /nfs/dbraw/zinc/69/86/65/571698665.db2.gz YUOJNTMBGZWTDJ-ZCFIWIBFSA-N 0 0 198.209 1.402 10 0 ADAERN CN[C@@H](COC(C)C)C(F)F 234406841 571698660 /nfs/dbraw/zinc/69/86/60/571698660.db2.gz VTRGUSJXVWQQRQ-LURJTMIESA-N 0 0 167.199 1.265 10 0 ADAERN CC(C)C[C@@H](N)c1nnc(N(C)C)o1 11587297 571698749 /nfs/dbraw/zinc/69/87/49/571698749.db2.gz RUHNRDUZBBWAMA-SSDOTTSWSA-N 0 0 198.270 1.182 10 0 ADAERN CCC[C@@H](C)C[NH+]1CC(C(=O)[O-])C1 70569805 571698795 /nfs/dbraw/zinc/69/87/95/571698795.db2.gz REFNFKUFZJCZSF-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN CC(=O)N(CCO)c1ccccc1 11638200 571698929 /nfs/dbraw/zinc/69/89/29/571698929.db2.gz SHLOJACMEFWARO-UHFFFAOYSA-N 0 0 179.219 1.032 10 0 ADAERN COC[C@H](O)[C@@H]1CCC[C@H](OC)C1 686318170 571698964 /nfs/dbraw/zinc/69/89/64/571698964.db2.gz SUQIIMNAOSDQLE-UTLUCORTSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@@H](O)CCCNc1cc[nH+]cc1 235234585 571698971 /nfs/dbraw/zinc/69/89/71/571698971.db2.gz GTBVUPFZFDMEKH-SECBINFHSA-N 0 0 180.251 1.655 10 0 ADAERN Cn1nc(Cl)c2cc(CO)ccc21 213983779 571699004 /nfs/dbraw/zinc/69/90/04/571699004.db2.gz BTTDIVDIIFGVLJ-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN Oc1ccc([C@H]2CC(Cl)=NN2)cc1 213980999 571699134 /nfs/dbraw/zinc/69/91/34/571699134.db2.gz JEXPRGAOQAKDNV-MRVPVSSYSA-N 0 0 196.637 1.979 10 0 ADAERN CCO[C@H](C(C)=O)c1cscn1 687798758 571699190 /nfs/dbraw/zinc/69/91/90/571699190.db2.gz JKUMRQGERDYMIB-MRVPVSSYSA-N 0 0 185.248 1.810 10 0 ADAERN COC(OC)[C@@H](C)NCc1ccco1 70622377 571699214 /nfs/dbraw/zinc/69/92/14/571699214.db2.gz SLNRPOMEOWUXKA-MRVPVSSYSA-N 0 0 199.250 1.377 10 0 ADAERN C[C@@H](O)[C@H](O)CCCC(F)(F)F 235236242 571699216 /nfs/dbraw/zinc/69/92/16/571699216.db2.gz CYSPKTFIDDNEHN-PHDIDXHHSA-N 0 0 186.173 1.461 10 0 ADAERN O=C1CCCC[C@]12CCCC2=O 402071 571699351 /nfs/dbraw/zinc/69/93/51/571699351.db2.gz CJJDVNIGHOGQMJ-JTQLQIEISA-N 0 0 166.220 1.869 10 0 ADAERN CN1CCc2ccc(Cl)c(N)c2C1 213991354 571699366 /nfs/dbraw/zinc/69/93/66/571699366.db2.gz PGACKUXHGHATOU-UHFFFAOYSA-N 0 0 196.681 1.910 10 0 ADAERN CCC[NH2+][C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 70620532 571699378 /nfs/dbraw/zinc/69/93/78/571699378.db2.gz QTHFLJRKICZTSM-JXUBOQSCSA-N 0 0 197.278 1.485 10 0 ADAERN COC[C@H](O)[C@H]1CCC[C@@H](OC)C1 686318166 571699412 /nfs/dbraw/zinc/69/94/12/571699412.db2.gz SUQIIMNAOSDQLE-AEJSXWLSSA-N 0 0 188.267 1.199 10 0 ADAERN CCO[C@H](C)[C@@H](O)C(F)F 687798471 571699441 /nfs/dbraw/zinc/69/94/41/571699441.db2.gz DVMCVUILMSRDTH-RFZPGFLSSA-N 0 0 154.156 1.037 10 0 ADAERN CC(C)[NH2+][C@@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 70620518 571699456 /nfs/dbraw/zinc/69/94/56/571699456.db2.gz IFVJLJLGYHFPLP-JXUBOQSCSA-N 0 0 197.278 1.484 10 0 ADAERN CC(C)[NH2+][C@H]1[C@@H](C(=O)[O-])[C@H]2CC[C@@H]1C2 70620517 571699496 /nfs/dbraw/zinc/69/94/96/571699496.db2.gz IFVJLJLGYHFPLP-QCLAVDOMSA-N 0 0 197.278 1.484 10 0 ADAERN OC[C@H](C1CC1)[C@@H]1CCCCCO1 214001633 571700376 /nfs/dbraw/zinc/70/03/76/571700376.db2.gz CJQDKYZJZWFMFS-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@H](C)O[C@H](C)C(N)=S 687798485 571699521 /nfs/dbraw/zinc/69/95/21/571699521.db2.gz LOWOBEBLXNWMFZ-NTSWFWBYSA-N 0 0 161.270 1.476 10 0 ADAERN CC[C@@H](COC)Nc1cccnc1 70623631 571700351 /nfs/dbraw/zinc/70/03/51/571700351.db2.gz YNPHYEGQXNVGGC-VIFPVBQESA-N 0 0 180.251 1.919 10 0 ADAERN CCC(=O)N(CCO)c1ccccc1 11638244 571699568 /nfs/dbraw/zinc/69/95/68/571699568.db2.gz SRIMDBXGNUFNJV-UHFFFAOYSA-N 0 0 193.246 1.422 10 0 ADAERN Cc1cccn2c(Cl)c(CO)nc12 213983514 571699655 /nfs/dbraw/zinc/69/96/55/571699655.db2.gz OPFUPUPGYQTHMH-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN CCc1cn2cc(Cl)nc(N)c2n1 213987093 571699660 /nfs/dbraw/zinc/69/96/60/571699660.db2.gz GHAHQUIHXCGZML-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN Cc1ncnc(Nc2ccccc2)n1 408191 571699679 /nfs/dbraw/zinc/69/96/79/571699679.db2.gz RAGIRLOFDOOXOG-UHFFFAOYSA-N 0 0 186.218 1.924 10 0 ADAERN CC[C@H](C)C[NH+]1CC(C(=O)[O-])C1 70569665 571699723 /nfs/dbraw/zinc/69/97/23/571699723.db2.gz TUMLLPKKXKZHBI-ZETCQYMHSA-N 0 0 171.240 1.049 10 0 ADAERN Oc1cccc([C@H]2CC(Cl)=NN2)c1 213980842 571699746 /nfs/dbraw/zinc/69/97/46/571699746.db2.gz UOYSMRNSJBJGCX-MRVPVSSYSA-N 0 0 196.637 1.979 10 0 ADAERN CCC(=O)Nc1ccc2nonc2c1 11638241 571699752 /nfs/dbraw/zinc/69/97/52/571699752.db2.gz KWUZFIUKOLTBRT-UHFFFAOYSA-N 0 0 191.190 1.571 10 0 ADAERN CC[C@@H](C)O[C@H](C)C(N)=S 687798486 571699760 /nfs/dbraw/zinc/69/97/60/571699760.db2.gz LOWOBEBLXNWMFZ-PHDIDXHHSA-N 0 0 161.270 1.476 10 0 ADAERN CCN(C(=O)C(F)F)[C@@H](C)C1CC1 324148590 571699775 /nfs/dbraw/zinc/69/97/75/571699775.db2.gz AYWLLADIEJCDFK-LURJTMIESA-N 0 0 191.221 1.899 10 0 ADAERN CCCCC[NH+]1CC(C(=O)[O-])C1 70569576 571699794 /nfs/dbraw/zinc/69/97/94/571699794.db2.gz MRCWOCKNMTYQJL-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN Cn1nc(Cl)c2c(CO)cccc21 213983679 571699814 /nfs/dbraw/zinc/69/98/14/571699814.db2.gz ILYAUJGKJCJGNC-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ccnc(NC)n1 234134201 571699856 /nfs/dbraw/zinc/69/98/56/571699856.db2.gz UNWHRTQWEVXAQN-JGVFFNPUSA-N 0 0 192.266 1.729 10 0 ADAERN CCC[C@H](OC)C1=NNC(=N)[C@H](C)C1 386391758 571699919 /nfs/dbraw/zinc/69/99/19/571699919.db2.gz FRHFXEGMPINAEL-APPZFPTMSA-N 0 0 197.282 1.764 10 0 ADAERN OCC[C@H](C1CCC1)[C@H]1CCCO1 214002625 571700393 /nfs/dbraw/zinc/70/03/93/571700393.db2.gz OJGIUAZCOJZIRP-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@@H](C)[C@H]1C(=O)CCN1CCOC 712123206 571699946 /nfs/dbraw/zinc/69/99/46/571699946.db2.gz JGKGQHDARNTDIP-KOLCDFICSA-N 0 0 199.294 1.322 10 0 ADAERN CC[C@@H](C)[C@@H]1C(=O)CCN1CCOC 712123217 571699966 /nfs/dbraw/zinc/69/99/66/571699966.db2.gz JGKGQHDARNTDIP-MWLCHTKSSA-N 0 0 199.294 1.322 10 0 ADAERN CC(C)COC(=O)c1ccnc(N)c1 70623578 571700396 /nfs/dbraw/zinc/70/03/96/571700396.db2.gz YHRXKRFENQZXMI-UHFFFAOYSA-N 0 0 194.234 1.477 10 0 ADAERN OCC[C@@H](C1CCCC1)[C@H]1CCO1 214003430 571700212 /nfs/dbraw/zinc/70/02/12/571700212.db2.gz CCMDVZYNBMMIHB-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@]1(C(=O)[O-])CCCC[N@@H+]1C 214006358 571700220 /nfs/dbraw/zinc/70/02/20/571700220.db2.gz WXEJZTVPCBDWGS-SECBINFHSA-N 0 0 171.240 1.336 10 0 ADAERN OC[C@@H](C1CCCC1)[C@H]1CCCO1 214002434 571700244 /nfs/dbraw/zinc/70/02/44/571700244.db2.gz XABYSBQLGOOWPZ-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN COC(=O)CCc1ccc(F)c(N)c1 214010397 571700368 /nfs/dbraw/zinc/70/03/68/571700368.db2.gz SIZGPCLSABVMIY-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1ccccc1CF 214006330 571700260 /nfs/dbraw/zinc/70/02/60/571700260.db2.gz JWMIEXIUQMXLDX-SECBINFHSA-N 0 0 197.209 1.631 10 0 ADAERN OC[C@@H](C1CC1)[C@@H]1CCCOCC1 214003820 571700283 /nfs/dbraw/zinc/70/02/83/571700283.db2.gz JKUPHSVLBGOPRG-MWLCHTKSSA-N 0 0 184.279 1.822 10 0 ADAERN CC(C)[N@H+](C)CC1(C(=O)[O-])CC1 214006599 571700287 /nfs/dbraw/zinc/70/02/87/571700287.db2.gz CBKKUWCJHCMIRX-UHFFFAOYSA-N 0 0 171.240 1.191 10 0 ADAERN OC[C@H](C1CCC1)[C@H]1CCCOC1 214004421 571700293 /nfs/dbraw/zinc/70/02/93/571700293.db2.gz RMJMJDXZWMLLAD-WDEREUQCSA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@@H](C1CCC1)[C@H]1CCCO1 214002679 571700331 /nfs/dbraw/zinc/70/03/31/571700331.db2.gz OJGIUAZCOJZIRP-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@@H](COC)Nc1cn[nH]c1 70623857 571700346 /nfs/dbraw/zinc/70/03/46/571700346.db2.gz JNWBEURIAUXKGA-ZETCQYMHSA-N 0 0 169.228 1.247 10 0 ADAERN OC(O)[C@H](C1CCCC1)C1CCC1 214006508 571700431 /nfs/dbraw/zinc/70/04/31/571700431.db2.gz VNJFSLNQYPCIPI-SNVBAGLBSA-N 0 0 184.279 1.904 10 0 ADAERN COC(=O)CCc1c(N)cccc1F 214011131 571700549 /nfs/dbraw/zinc/70/05/49/571700549.db2.gz NPKHXWHUUWBUOG-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1cccc(CF)c1 214007169 571700476 /nfs/dbraw/zinc/70/04/76/571700476.db2.gz MLURSIJFSXZFFU-VIFPVBQESA-N 0 0 197.209 1.631 10 0 ADAERN OCC[C@@H](C1CCC1)[C@H]1CCOC1 214005260 571700564 /nfs/dbraw/zinc/70/05/64/571700564.db2.gz KDDZOYOFYRNRTM-QWRGUYRKSA-N 0 0 184.279 1.822 10 0 ADAERN OCCC[C@H](C1CCC1)[C@H]1CCO1 214003625 571700575 /nfs/dbraw/zinc/70/05/75/571700575.db2.gz JUYZGEJRVKUFBX-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN OCCC[C@@H](C1CC1)[C@@H]1CCCO1 214002816 571700626 /nfs/dbraw/zinc/70/06/26/571700626.db2.gz XSAGFUHYPYOQEL-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@@H](COC)Nc1ccc(N)cn1 70625099 571700634 /nfs/dbraw/zinc/70/06/34/571700634.db2.gz LGFQUIYSZJYIGX-VIFPVBQESA-N 0 0 195.266 1.501 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])c1ccc(CF)cc1 214005659 571700651 /nfs/dbraw/zinc/70/06/51/571700651.db2.gz JJDHAIOCZHJJCX-SECBINFHSA-N 0 0 197.209 1.283 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])c1ccccc1CF 214006476 571700717 /nfs/dbraw/zinc/70/07/17/571700717.db2.gz WGRFMDLUDBULKC-SECBINFHSA-N 0 0 197.209 1.283 10 0 ADAERN OC[C@H](C1CC1)[C@@H]1CCCOCC1 214003938 571700732 /nfs/dbraw/zinc/70/07/32/571700732.db2.gz JKUPHSVLBGOPRG-KOLCDFICSA-N 0 0 184.279 1.822 10 0 ADAERN OC[C@@H](C1CC1)[C@H]1CCCOCC1 214003763 571701417 /nfs/dbraw/zinc/70/14/17/571701417.db2.gz JKUPHSVLBGOPRG-GXSJLCMTSA-N 0 0 184.279 1.822 10 0 ADAERN CC[C@@H](C)OC(=O)c1ccnc(N)c1 70623568 571700735 /nfs/dbraw/zinc/70/07/35/571700735.db2.gz IPYFFBXIWSZKFN-SSDOTTSWSA-N 0 0 194.234 1.619 10 0 ADAERN CC1([NH3+])CCC(CC(=O)[O-])CC1 214005683 571700750 /nfs/dbraw/zinc/70/07/50/571700750.db2.gz BPYHRFWQEXDOKE-UHFFFAOYSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@H](COC)Nc1ccc(N)cn1 70625100 571700761 /nfs/dbraw/zinc/70/07/61/571700761.db2.gz LGFQUIYSZJYIGX-SECBINFHSA-N 0 0 195.266 1.501 10 0 ADAERN OC[C@@H](C1CCCCC1)C1COC1 214005668 571700766 /nfs/dbraw/zinc/70/07/66/571700766.db2.gz SYOXJLYXSXVDDH-NSHDSACASA-N 0 0 184.279 1.822 10 0 ADAERN CC[C@@H](COC)Nc1cnn(C)c1 70623851 571700768 /nfs/dbraw/zinc/70/07/68/571700768.db2.gz VVCKZXMZHSOVOD-QMMMGPOBSA-N 0 0 183.255 1.257 10 0 ADAERN OCC[C@@H](C1CCCC1)C1COC1 214005805 571700771 /nfs/dbraw/zinc/70/07/71/571700771.db2.gz PKIPPTQSDVBJHD-NSHDSACASA-N 0 0 184.279 1.822 10 0 ADAERN O[C@@H](C1CCC1)[C@@H]1CCCOCC1 214006588 571700800 /nfs/dbraw/zinc/70/08/00/571700800.db2.gz OAZGWJWNMFKRHG-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN COC(=O)CCc1cc(F)ccc1N 214011368 571700809 /nfs/dbraw/zinc/70/08/09/571700809.db2.gz BEWFRFRSBNTMSQ-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN CC[C@H](COC)Nc1ccn(C)n1 70624122 571700830 /nfs/dbraw/zinc/70/08/30/571700830.db2.gz UPJJESDTAYQKGU-MRVPVSSYSA-N 0 0 183.255 1.257 10 0 ADAERN OC[C@@H](C1CCCC1)[C@H]1CCOC1 214005002 571700885 /nfs/dbraw/zinc/70/08/85/571700885.db2.gz XLPFRAOWULFQOT-QWRGUYRKSA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@@H](C1CCC1)[C@@H]1CCCO1 214002566 571700888 /nfs/dbraw/zinc/70/08/88/571700888.db2.gz OJGIUAZCOJZIRP-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN O[C@@H](C1CCC1)[C@H]1CCCOCC1 214006695 571700890 /nfs/dbraw/zinc/70/08/90/571700890.db2.gz OAZGWJWNMFKRHG-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)C1(C[NH2+]C/C=C\C(=O)[O-])CC1 388669725 571700894 /nfs/dbraw/zinc/70/08/94/571700894.db2.gz GBYHVLLCFCIBKZ-ARJAWSKDSA-N 0 0 197.278 1.653 10 0 ADAERN CC[C@H](COC)n1nccc1N 70624500 571700896 /nfs/dbraw/zinc/70/08/96/571700896.db2.gz WGERELXUTZTYHG-SSDOTTSWSA-N 0 0 169.228 1.063 10 0 ADAERN OCC[C@H](C1CC1)[C@H]1CCCOC1 214004681 571700906 /nfs/dbraw/zinc/70/09/06/571700906.db2.gz JKIXHYHYRKEDLZ-WDEREUQCSA-N 0 0 184.279 1.822 10 0 ADAERN OCCC[C@@H](C1CC1)[C@@H]1CCOC1 214005398 571700950 /nfs/dbraw/zinc/70/09/50/571700950.db2.gz SBPCYWBTCVDQDY-MNOVXSKESA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@H](C1CCOCC1)C1CC1 214004215 571700955 /nfs/dbraw/zinc/70/09/55/571700955.db2.gz GFZAWRSIYKWZOP-NSHDSACASA-N 0 0 184.279 1.822 10 0 ADAERN OC[C@H](C1CCCC1)[C@@H]1CCCO1 214002248 571700960 /nfs/dbraw/zinc/70/09/60/571700960.db2.gz XABYSBQLGOOWPZ-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN COC(=O)CNC1CCC(C)(C)CC1 70622966 571700986 /nfs/dbraw/zinc/70/09/86/571700986.db2.gz KCYTZWKFMUTOPK-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN OC(O)[C@@H](C1CCCCC1)C1CC1 214006021 571700988 /nfs/dbraw/zinc/70/09/88/571700988.db2.gz IWXWAASKOAQPNO-JTQLQIEISA-N 0 0 184.279 1.904 10 0 ADAERN OCC[C@H](C1CC1)[C@H]1CCCCO1 214002161 571700989 /nfs/dbraw/zinc/70/09/89/571700989.db2.gz DCJNQIUJFMRZAQ-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])c1cccc(CF)c1 214007251 571701013 /nfs/dbraw/zinc/70/10/13/571701013.db2.gz LGRAPUAFXUQLRS-SECBINFHSA-N 0 0 197.209 1.283 10 0 ADAERN CC[C@H](COC)Nc1ncccc1N 70625084 571701081 /nfs/dbraw/zinc/70/10/81/571701081.db2.gz PHEOPHKSSDTUMU-MRVPVSSYSA-N 0 0 195.266 1.501 10 0 ADAERN CC[C@@H](COC)n1nccc1N 70624499 571701090 /nfs/dbraw/zinc/70/10/90/571701090.db2.gz WGERELXUTZTYHG-ZETCQYMHSA-N 0 0 169.228 1.063 10 0 ADAERN O[C@H](C1CCC1)[C@H]1CCCOCC1 214006759 571701099 /nfs/dbraw/zinc/70/10/99/571701099.db2.gz OAZGWJWNMFKRHG-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN Nc1cc(C(=O)OCC2CC2)ccn1 70623571 571701115 /nfs/dbraw/zinc/70/11/15/571701115.db2.gz NYOKTEKYFVCFRL-UHFFFAOYSA-N 0 0 192.218 1.231 10 0 ADAERN COC(OC)[C@@H](C)Nc1cccnc1 70622610 571701118 /nfs/dbraw/zinc/70/11/18/571701118.db2.gz IOWNSHUPOXSPQC-MRVPVSSYSA-N 0 0 196.250 1.501 10 0 ADAERN OC[C@H](C1CCC1)C1CCOCC1 214004011 571701149 /nfs/dbraw/zinc/70/11/49/571701149.db2.gz ONFZOIUNEQBKMA-LLVKDONJSA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@H](C1CC1)[C@@H]1CCCOC1 214004744 571701156 /nfs/dbraw/zinc/70/11/56/571701156.db2.gz JKIXHYHYRKEDLZ-GHMZBOCLSA-N 0 0 184.279 1.822 10 0 ADAERN COC(=O)CCOc1cccc(N)c1 38055320 571701176 /nfs/dbraw/zinc/70/11/76/571701176.db2.gz BYPNCLOXKLFBDB-UHFFFAOYSA-N 0 0 195.218 1.211 10 0 ADAERN OC(O)[C@@H](C1CCCC1)C1CCC1 214006450 571701228 /nfs/dbraw/zinc/70/12/28/571701228.db2.gz VNJFSLNQYPCIPI-JTQLQIEISA-N 0 0 184.279 1.904 10 0 ADAERN CC[C@@H](COC)Nc1c(C)n[nH]c1C 70623865 571701230 /nfs/dbraw/zinc/70/12/30/571701230.db2.gz VLONBVQKZZRAQF-VIFPVBQESA-N 0 0 197.282 1.863 10 0 ADAERN OCCC[C@@H](C1CC1)[C@H]1CCOC1 214005518 571701253 /nfs/dbraw/zinc/70/12/53/571701253.db2.gz SBPCYWBTCVDQDY-QWRGUYRKSA-N 0 0 184.279 1.822 10 0 ADAERN OC[C@@H](C1CCC1)[C@@H]1CCCOC1 214004369 571701284 /nfs/dbraw/zinc/70/12/84/571701284.db2.gz RMJMJDXZWMLLAD-MNOVXSKESA-N 0 0 184.279 1.822 10 0 ADAERN CCC[C@H]1C[N@H+](C)C[C@@H]1C(=O)[O-] 214006265 571701291 /nfs/dbraw/zinc/70/12/91/571701291.db2.gz JYMCJGFCAZRRPZ-YUMQZZPRSA-N 0 0 171.240 1.049 10 0 ADAERN OC[C@H](C1CCCCC1)C1COC1 214005611 571701325 /nfs/dbraw/zinc/70/13/25/571701325.db2.gz SYOXJLYXSXVDDH-LLVKDONJSA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@@H](C1CC1)[C@H]1CCCOC1 214004570 571701344 /nfs/dbraw/zinc/70/13/44/571701344.db2.gz JKIXHYHYRKEDLZ-QWRGUYRKSA-N 0 0 184.279 1.822 10 0 ADAERN CCCOC(=O)c1ccnc(N)c1 70623565 571701354 /nfs/dbraw/zinc/70/13/54/571701354.db2.gz GJTLXCPQTDAYMH-UHFFFAOYSA-N 0 0 180.207 1.231 10 0 ADAERN O=Cc1cccc(-c2cc(=O)o[nH]2)c1 250055228 571701383 /nfs/dbraw/zinc/70/13/83/571701383.db2.gz LVPZPZRMIXWVOG-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN COc1c(C)c(C)c(N)c(O)c1OC 214020638 571703648 /nfs/dbraw/zinc/70/36/48/571703648.db2.gz LSONBOIOSBPHCE-UHFFFAOYSA-N 0 0 197.234 1.608 10 0 ADAERN [NH3+]C[C@H](C(=O)[O-])c1ccccc1CF 214006529 571701428 /nfs/dbraw/zinc/70/14/28/571701428.db2.gz WGRFMDLUDBULKC-VIFPVBQESA-N 0 0 197.209 1.283 10 0 ADAERN OC[C@@H](C1CCC1)[C@@H]1CCCCO1 214001735 571701455 /nfs/dbraw/zinc/70/14/55/571701455.db2.gz QTADWIVODIKIJQ-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@H](COC)n1ncc(C)c1N 70624502 571701462 /nfs/dbraw/zinc/70/14/62/571701462.db2.gz AUFSJXQDYJFQFB-MRVPVSSYSA-N 0 0 183.255 1.371 10 0 ADAERN CC[C@H](COC)Nc1cnn(C)c1 70623852 571701467 /nfs/dbraw/zinc/70/14/67/571701467.db2.gz VVCKZXMZHSOVOD-MRVPVSSYSA-N 0 0 183.255 1.257 10 0 ADAERN COC(OC)[C@H](C)Nc1cccnc1 70622609 571701472 /nfs/dbraw/zinc/70/14/72/571701472.db2.gz IOWNSHUPOXSPQC-QMMMGPOBSA-N 0 0 196.250 1.501 10 0 ADAERN OCC[C@@H](C1CCCC1)[C@@H]1CCO1 214003317 571701483 /nfs/dbraw/zinc/70/14/83/571701483.db2.gz CCMDVZYNBMMIHB-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CCCCOC(=O)c1ccnc(N)c1 70623566 571701501 /nfs/dbraw/zinc/70/15/01/571701501.db2.gz ACBKVQNQIRUMRH-UHFFFAOYSA-N 0 0 194.234 1.621 10 0 ADAERN CC[N@H+](C)CCC1(C(=O)[O-])CC1 214006515 571701542 /nfs/dbraw/zinc/70/15/42/571701542.db2.gz YEOYCNDVHMZRLA-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN OC[C@H](C1CCCC1)[C@H]1CCCO1 214002372 571701554 /nfs/dbraw/zinc/70/15/54/571701554.db2.gz XABYSBQLGOOWPZ-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@H](C)[C@H]1C(=O)CCN1CCOC 712123234 571701559 /nfs/dbraw/zinc/70/15/59/571701559.db2.gz JGKGQHDARNTDIP-ONGXEEELSA-N 0 0 199.294 1.322 10 0 ADAERN OCCC[C@H](C1CC1)[C@@H]1CCCO1 214002929 571701590 /nfs/dbraw/zinc/70/15/90/571701590.db2.gz XSAGFUHYPYOQEL-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN OCC[C@@H](C1CC1)[C@H]1CCCCO1 214002051 571701605 /nfs/dbraw/zinc/70/16/05/571701605.db2.gz DCJNQIUJFMRZAQ-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN COc1ncc(O)c(C(C)=O)c1OC 213998825 571701637 /nfs/dbraw/zinc/70/16/37/571701637.db2.gz UHCCLDOHLPJDHS-UHFFFAOYSA-N 0 0 197.190 1.007 10 0 ADAERN OCC[C@@H](C1CCC1)[C@@H]1CCOC1 214005146 571701668 /nfs/dbraw/zinc/70/16/68/571701668.db2.gz KDDZOYOFYRNRTM-MNOVXSKESA-N 0 0 184.279 1.822 10 0 ADAERN CC[C@@H](COC)Nc1ncccc1N 70625083 571701687 /nfs/dbraw/zinc/70/16/87/571701687.db2.gz PHEOPHKSSDTUMU-QMMMGPOBSA-N 0 0 195.266 1.501 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1cccc(CF)c1 214007114 571701717 /nfs/dbraw/zinc/70/17/17/571701717.db2.gz MLURSIJFSXZFFU-SECBINFHSA-N 0 0 197.209 1.631 10 0 ADAERN OCC[C@@H](C1CCOCC1)C1CC1 214004154 571701741 /nfs/dbraw/zinc/70/17/41/571701741.db2.gz GFZAWRSIYKWZOP-LLVKDONJSA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@H](C1CCCC1)[C@@H]1CCO1 214003258 571701782 /nfs/dbraw/zinc/70/17/82/571701782.db2.gz CCMDVZYNBMMIHB-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1ccccc1CF 214006392 571701790 /nfs/dbraw/zinc/70/17/90/571701790.db2.gz JWMIEXIUQMXLDX-VIFPVBQESA-N 0 0 197.209 1.631 10 0 ADAERN OC[C@@H](C1CCCCC1)[C@H]1CCO1 214003180 571701795 /nfs/dbraw/zinc/70/17/95/571701795.db2.gz YMRJQMVPYXKOMC-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN COC(=O)CCc1ccc(F)cc1N 214011753 571701803 /nfs/dbraw/zinc/70/18/03/571701803.db2.gz JQAIDSRMDAGQAT-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN OC[C@H](C1CCCCC1)[C@@H]1CCO1 214003016 571701818 /nfs/dbraw/zinc/70/18/18/571701818.db2.gz YMRJQMVPYXKOMC-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN OC[C@H](C1CC1)[C@H]1CCCCCO1 214001573 571701860 /nfs/dbraw/zinc/70/18/60/571701860.db2.gz CJQDKYZJZWFMFS-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN OCC[C@H](C1CCCC1)[C@H]1CCO1 214003375 571701866 /nfs/dbraw/zinc/70/18/66/571701866.db2.gz CCMDVZYNBMMIHB-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN OC[C@@H](C1CCC1)[C@H]1CCCCO1 214001794 571701996 /nfs/dbraw/zinc/70/19/96/571701996.db2.gz QTADWIVODIKIJQ-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN OC[C@@H](C1CCCC1)[C@@H]1CCOC1 214004891 571701872 /nfs/dbraw/zinc/70/18/72/571701872.db2.gz XLPFRAOWULFQOT-MNOVXSKESA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@@H](C1CC1)[C@@H]1CCCCO1 214001988 571701904 /nfs/dbraw/zinc/70/19/04/571701904.db2.gz DCJNQIUJFMRZAQ-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1ccc(CF)cc1 214005578 571701918 /nfs/dbraw/zinc/70/19/18/571701918.db2.gz HBPASSOXENWMIF-VIFPVBQESA-N 0 0 197.209 1.631 10 0 ADAERN OC[C@@H](C1CCCC1)[C@@H]1CCCO1 214002312 571701924 /nfs/dbraw/zinc/70/19/24/571701924.db2.gz XABYSBQLGOOWPZ-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN C[NH2+]CC(=O)c1cc(CF)ccc1O 214007758 571701935 /nfs/dbraw/zinc/70/19/35/571701935.db2.gz YQZXKDVWDSWIOA-UHFFFAOYSA-N 0 0 197.209 1.264 10 0 ADAERN OCCC[C@H](C1CC1)[C@H]1CCOC1 214005456 571701948 /nfs/dbraw/zinc/70/19/48/571701948.db2.gz SBPCYWBTCVDQDY-WDEREUQCSA-N 0 0 184.279 1.822 10 0 ADAERN OC[C@H](C1CC1)[C@H]1CCCOCC1 214003874 571702018 /nfs/dbraw/zinc/70/20/18/571702018.db2.gz JKUPHSVLBGOPRG-ONGXEEELSA-N 0 0 184.279 1.822 10 0 ADAERN CC[C@H](COC)NCC(F)(F)F 70623600 571702099 /nfs/dbraw/zinc/70/20/99/571702099.db2.gz ORKBXMZCFYSBGD-ZCFIWIBFSA-N 0 0 185.189 1.563 10 0 ADAERN OC[C@H](C1CCC1)[C@@H]1CCCCO1 214001850 571702106 /nfs/dbraw/zinc/70/21/06/571702106.db2.gz QTADWIVODIKIJQ-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN OC[C@H](C1CCC1)[C@H]1CCCCO1 214001915 571702109 /nfs/dbraw/zinc/70/21/09/571702109.db2.gz QTADWIVODIKIJQ-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN OCCC[C@H](C1CC1)[C@H]1CCCO1 214002880 571702112 /nfs/dbraw/zinc/70/21/12/571702112.db2.gz XSAGFUHYPYOQEL-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN OCC[C@H](C1CCC1)[C@H]1CCOC1 214005201 571702115 /nfs/dbraw/zinc/70/21/15/571702115.db2.gz KDDZOYOFYRNRTM-WDEREUQCSA-N 0 0 184.279 1.822 10 0 ADAERN Cc1csc([C@@H](C)NN(C)C)n1 22862605 571702160 /nfs/dbraw/zinc/70/21/60/571702160.db2.gz WWEDCLJWJCBLJF-SSDOTTSWSA-N 0 0 185.296 1.579 10 0 ADAERN OCCC[C@@H](C1CCC1)C1COC1 214005933 571702170 /nfs/dbraw/zinc/70/21/70/571702170.db2.gz CNPNELGMZIEMBA-NSHDSACASA-N 0 0 184.279 1.822 10 0 ADAERN COC(=O)CCc1cc(N)cc(F)c1 214010481 571702198 /nfs/dbraw/zinc/70/21/98/571702198.db2.gz CTBPZHBCJTXIPD-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN OC[C@H](C1CCC1)[C@@H]1CCCOC1 214004307 571702212 /nfs/dbraw/zinc/70/22/12/571702212.db2.gz RMJMJDXZWMLLAD-GHMZBOCLSA-N 0 0 184.279 1.822 10 0 ADAERN OC[C@@H](C1CCCCC1)[C@@H]1CCO1 214003071 571702310 /nfs/dbraw/zinc/70/23/10/571702310.db2.gz YMRJQMVPYXKOMC-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@@]1(C(=O)[O-])CCCC[N@@H+]1C 214006421 571702273 /nfs/dbraw/zinc/70/22/73/571702273.db2.gz WXEJZTVPCBDWGS-VIFPVBQESA-N 0 0 171.240 1.336 10 0 ADAERN CC[C@@H](COC)NCC(F)(F)F 70623599 571702356 /nfs/dbraw/zinc/70/23/56/571702356.db2.gz ORKBXMZCFYSBGD-LURJTMIESA-N 0 0 185.189 1.563 10 0 ADAERN CCC[C@@H]1C[N@H+](C)C[C@@H]1C(=O)[O-] 214006209 571702376 /nfs/dbraw/zinc/70/23/76/571702376.db2.gz JYMCJGFCAZRRPZ-SFYZADRCSA-N 0 0 171.240 1.049 10 0 ADAERN [NH3+]C[C@H](C(=O)[O-])c1cccc(CF)c1 214007308 571702415 /nfs/dbraw/zinc/70/24/15/571702415.db2.gz LGRAPUAFXUQLRS-VIFPVBQESA-N 0 0 197.209 1.283 10 0 ADAERN CC[C@@H](COC)Nc1ccncn1 70626070 571704199 /nfs/dbraw/zinc/70/41/99/571704199.db2.gz BOJLJAQDARQXSZ-QMMMGPOBSA-N 0 0 181.239 1.314 10 0 ADAERN OC[C@H](C1CCCC1)[C@H]1CCOC1 214004943 571702463 /nfs/dbraw/zinc/70/24/63/571702463.db2.gz XLPFRAOWULFQOT-WDEREUQCSA-N 0 0 184.279 1.822 10 0 ADAERN OC[C@@H](C1CCC1)[C@H]1CCCOC1 214004483 571702477 /nfs/dbraw/zinc/70/24/77/571702477.db2.gz RMJMJDXZWMLLAD-QWRGUYRKSA-N 0 0 184.279 1.822 10 0 ADAERN OCC[C@H](C1CCC1)[C@@H]1CCCO1 214002512 571702498 /nfs/dbraw/zinc/70/24/98/571702498.db2.gz OJGIUAZCOJZIRP-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@@H](COC)n1ncc(C)c1N 70624501 571702517 /nfs/dbraw/zinc/70/25/17/571702517.db2.gz AUFSJXQDYJFQFB-QMMMGPOBSA-N 0 0 183.255 1.371 10 0 ADAERN [NH3+]C[C@H](C(=O)[O-])c1ccc(CF)cc1 214005713 571702533 /nfs/dbraw/zinc/70/25/33/571702533.db2.gz JJDHAIOCZHJJCX-VIFPVBQESA-N 0 0 197.209 1.283 10 0 ADAERN CC1(C)[C@@H](CO)[C@@H]1c1ccns1 404418430 571702558 /nfs/dbraw/zinc/70/25/58/571702558.db2.gz GKHNYSKVZRPDSH-POYBYMJQSA-N 0 0 183.276 1.875 10 0 ADAERN OCCC[C@H](C1CCC1)C1COC1 214005880 571702564 /nfs/dbraw/zinc/70/25/64/571702564.db2.gz CNPNELGMZIEMBA-LLVKDONJSA-N 0 0 184.279 1.822 10 0 ADAERN OC[C@H](C1CCCCC1)[C@H]1CCO1 214003127 571702575 /nfs/dbraw/zinc/70/25/75/571702575.db2.gz YMRJQMVPYXKOMC-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@H](COC)Nc1cccnc1 70623632 571702576 /nfs/dbraw/zinc/70/25/76/571702576.db2.gz YNPHYEGQXNVGGC-SECBINFHSA-N 0 0 180.251 1.919 10 0 ADAERN CC[C@H](COC)Nc1c(C)n[nH]c1C 70623866 571702614 /nfs/dbraw/zinc/70/26/14/571702614.db2.gz VLONBVQKZZRAQF-SECBINFHSA-N 0 0 197.282 1.863 10 0 ADAERN CC[C@@H](COC)Nc1ccn(C)n1 70624121 571702632 /nfs/dbraw/zinc/70/26/32/571702632.db2.gz UPJJESDTAYQKGU-QMMMGPOBSA-N 0 0 183.255 1.257 10 0 ADAERN CC[C@@H](COC)Nc1ccc(N)nc1 70625071 571702731 /nfs/dbraw/zinc/70/27/31/571702731.db2.gz JKDSZZJJFVAVML-QMMMGPOBSA-N 0 0 195.266 1.501 10 0 ADAERN CC[C@H](COC)Nc1ccc(N)nc1 70625072 571702739 /nfs/dbraw/zinc/70/27/39/571702739.db2.gz JKDSZZJJFVAVML-MRVPVSSYSA-N 0 0 195.266 1.501 10 0 ADAERN C[N@H+](CC1CCC1)[C@@H]1CC[C@H]1C(=O)[O-] 250372682 571702813 /nfs/dbraw/zinc/70/28/13/571702813.db2.gz HQSNZUXGQURWIR-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@H](C)OC(=O)c1ccnc(N)c1 70623569 571702890 /nfs/dbraw/zinc/70/28/90/571702890.db2.gz IPYFFBXIWSZKFN-ZETCQYMHSA-N 0 0 194.234 1.619 10 0 ADAERN CC(C)[C@H]([NH3+])[C@@H](C(=O)[O-])C(F)(F)F 214025996 571703679 /nfs/dbraw/zinc/70/36/79/571703679.db2.gz IWRLCASVONRPRZ-WHFBIAKZSA-N 0 0 199.172 1.233 10 0 ADAERN COc1cc(C(C)(C)O)c(OC)cn1 214021837 571702994 /nfs/dbraw/zinc/70/29/94/571702994.db2.gz GAWGIFBKBRUXPC-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN CC(C)[C@@H]([NH3+])[C@@H](C(=O)[O-])C(F)(F)F 214026055 571703538 /nfs/dbraw/zinc/70/35/38/571703538.db2.gz IWRLCASVONRPRZ-CRCLSJGQSA-N 0 0 199.172 1.233 10 0 ADAERN OCC1[C@@H]2C=CC=CC=C[C@@H]12 24053418 571703230 /nfs/dbraw/zinc/70/32/30/571703230.db2.gz YRDMVPSZGQEBHD-MGRQHWMJSA-N 0 0 148.205 1.523 10 0 ADAERN CCC[C@@H](COC)Nc1ncccn1 70626080 571703302 /nfs/dbraw/zinc/70/33/02/571703302.db2.gz FENQNOZXWAZQPT-VIFPVBQESA-N 0 0 195.266 1.704 10 0 ADAERN COc1nccc(C(C)(C)O)c1OC 214021340 571703314 /nfs/dbraw/zinc/70/33/14/571703314.db2.gz OPCQRRNTFCVIGS-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN CC(=O)c1cncc2ccncc12 214027839 571703316 /nfs/dbraw/zinc/70/33/16/571703316.db2.gz PBIBNKSXZLSDRZ-UHFFFAOYSA-N 0 0 172.187 1.832 10 0 ADAERN COc1cc(OC)nc(C(C)(C)O)c1 214021428 571703404 /nfs/dbraw/zinc/70/34/04/571703404.db2.gz XKDVKYKKXJDTKK-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN C[N@H+](CC1CCC1)[C@H]1CC[C@H]1C(=O)[O-] 250372685 571703444 /nfs/dbraw/zinc/70/34/44/571703444.db2.gz HQSNZUXGQURWIR-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CCOC(=O)C(F)(F)c1ncco1 725374215 571704311 /nfs/dbraw/zinc/70/43/11/571704311.db2.gz KBYYGBHIZBWWCG-UHFFFAOYSA-N 0 0 191.133 1.330 10 0 ADAERN CCC[C@@H](COC)Nc1cnccn1 70626094 571703591 /nfs/dbraw/zinc/70/35/91/571703591.db2.gz LTAUKKLSSINPER-VIFPVBQESA-N 0 0 195.266 1.704 10 0 ADAERN Cc1csc(CNN(C)C)n1 22862172 571703652 /nfs/dbraw/zinc/70/36/52/571703652.db2.gz ICXXSMJCILTCMN-UHFFFAOYSA-N 0 0 171.269 1.018 10 0 ADAERN CC(C)[C@H]([NH3+])[C@H](C(=O)[O-])C(F)(F)F 214026115 571703701 /nfs/dbraw/zinc/70/37/01/571703701.db2.gz IWRLCASVONRPRZ-UHNVWZDZSA-N 0 0 199.172 1.233 10 0 ADAERN COc1ccc(C(C)(C)O)nc1OC 214021746 571703733 /nfs/dbraw/zinc/70/37/33/571703733.db2.gz LQPMNKQGPLAOQR-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN C[C@H]([N@H+](C)Cc1nnn[n-]1)C(C)(C)C 95203415 571703787 /nfs/dbraw/zinc/70/37/87/571703787.db2.gz QXJGGIOSNXSIHH-ZETCQYMHSA-N 0 0 197.286 1.066 10 0 ADAERN COc1cc([C@@H](C)O)nc(OC)c1C 214022016 571703774 /nfs/dbraw/zinc/70/37/74/571703774.db2.gz XOPVJLXOWCVJLW-SSDOTTSWSA-N 0 0 197.234 1.461 10 0 ADAERN CCCSCC(=O)CCOC 687798502 571703789 /nfs/dbraw/zinc/70/37/89/571703789.db2.gz LQRLIZBIBGJXPJ-UHFFFAOYSA-N 0 0 176.281 1.735 10 0 ADAERN COc1cncc(OC)c1C(C)(C)O 214021504 571703810 /nfs/dbraw/zinc/70/38/10/571703810.db2.gz MUCXJSGKPXZYGA-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN CC(=O)c1cnc2ccncc2c1 214027758 571703837 /nfs/dbraw/zinc/70/38/37/571703837.db2.gz LZQZXYGBBIABDF-UHFFFAOYSA-N 0 0 172.187 1.832 10 0 ADAERN CCC[C@@H](COC)Nc1ccncn1 70626126 571704046 /nfs/dbraw/zinc/70/40/46/571704046.db2.gz LIJIONVKAFTIFB-VIFPVBQESA-N 0 0 195.266 1.704 10 0 ADAERN O=c1cc(C2CCCC2)[nH]o1 100279011 571704109 /nfs/dbraw/zinc/70/41/09/571704109.db2.gz CKVWYGRVCSLBFT-UHFFFAOYSA-N 0 0 153.181 1.626 10 0 ADAERN Cc1ncc(C)c2c1nc(N)n2C 39038644 571704152 /nfs/dbraw/zinc/70/41/52/571704152.db2.gz QGHXLHJOPLVOIG-UHFFFAOYSA-N 0 0 176.223 1.167 10 0 ADAERN CCSc1[nH]c(=O)ncc1C 22755574 571704157 /nfs/dbraw/zinc/70/41/57/571704157.db2.gz NSDJVEFTSRVBNB-UHFFFAOYSA-N 0 0 170.237 1.190 10 0 ADAERN COc1ccnc(C(C)(C)O)c1OC 214021670 571704195 /nfs/dbraw/zinc/70/41/95/571704195.db2.gz MBOWBMJREGEWJP-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN COc1cc(C(C)(C)O)cc(OC)n1 214021921 571704275 /nfs/dbraw/zinc/70/42/75/571704275.db2.gz ZEVIPOCDHYVGSV-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN CC(=O)c1cnc2cnccc2c1 214027678 571704282 /nfs/dbraw/zinc/70/42/82/571704282.db2.gz KRTXEKLFAYUCOQ-UHFFFAOYSA-N 0 0 172.187 1.832 10 0 ADAERN CC[C@@H](O)COc1cccc(N)c1 38055345 571704293 /nfs/dbraw/zinc/70/42/93/571704293.db2.gz DSVPRAIWEAPZKH-SECBINFHSA-N 0 0 181.235 1.419 10 0 ADAERN Brc1ncn2ccncc12 214074252 571704363 /nfs/dbraw/zinc/70/43/63/571704363.db2.gz BCZMKGUDZFGGFM-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN COc1cnc(C(C)(C)O)cc1OC 214021582 571704484 /nfs/dbraw/zinc/70/44/84/571704484.db2.gz LWMUQFCKIWUJAW-UHFFFAOYSA-N 0 0 197.234 1.326 10 0 ADAERN COc1cc([C@H](C)O)nc(OC)c1C 214022068 571704857 /nfs/dbraw/zinc/70/48/57/571704857.db2.gz 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ADAERN CC(C)[C@H](CC(=O)[O-])[C@@H]1CC[N@@H+]1C 214052669 571708529 /nfs/dbraw/zinc/70/85/29/571708529.db2.gz PUXZBSSLXPQZQH-IUCAKERBSA-N 0 0 185.267 1.437 10 0 ADAERN CC[C@@H](CC(=O)[O-])[C@H]1CCC[N@@H+]1C 214051713 571708537 /nfs/dbraw/zinc/70/85/37/571708537.db2.gz LNIDNQPJGOIPSB-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@H](C)[NH2+][C@@](C)(CC)C(=O)[O-] 38065953 571708545 /nfs/dbraw/zinc/70/85/45/571708545.db2.gz DFHOMHMJYXSIRC-CBAPKCEASA-N 0 0 173.256 1.628 10 0 ADAERN Cc1nc(Cl)c2c(n1)NC(=O)[C@H]2C 214065773 571708594 /nfs/dbraw/zinc/70/85/94/571708594.db2.gz SSTROOYAYTWHLF-VKHMYHEASA-N 0 0 197.625 1.494 10 0 ADAERN CC[C@@H](C)N[C@@](C)(C(=O)OC)C1CC1 38067026 571708595 /nfs/dbraw/zinc/70/85/95/571708595.db2.gz DPRMUFVSOLDERX-LDYMZIIASA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H]1CCC[N@@H+]1C 214051960 571708644 /nfs/dbraw/zinc/70/86/44/571708644.db2.gz GPSMKROZBIGIFC-BDAKNGLRSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@@H](O)c1nc(Cl)n2ccncc12 214065423 571708682 /nfs/dbraw/zinc/70/86/82/571708682.db2.gz VCPYVUXATZDFDI-RXMQYKEDSA-N 0 0 197.625 1.436 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[C@H]1CC[N@@H+]1C 214052793 571708695 /nfs/dbraw/zinc/70/86/95/571708695.db2.gz PUXZBSSLXPQZQH-DTWKUNHWSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@H]1CC[N@H+](C)C1 214053881 571708743 /nfs/dbraw/zinc/70/87/43/571708743.db2.gz YNLYDPJFPMZNIQ-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](O)c1nc2cnccn2c1Cl 214065690 571708747 /nfs/dbraw/zinc/70/87/47/571708747.db2.gz QXOGVOKUPZOVOY-RXMQYKEDSA-N 0 0 197.625 1.436 10 0 ADAERN C[N@@H+]1CC[C@](CC2CCC2)(C(=O)[O-])C1 214051982 571708772 /nfs/dbraw/zinc/70/87/72/571708772.db2.gz LQUSULBYNZEUEP-LLVKDONJSA-N 0 0 197.278 1.583 10 0 ADAERN CCc1cccc(CC(=O)OC)c1O 221157185 571708780 /nfs/dbraw/zinc/70/87/80/571708780.db2.gz SQBKNPNLOUFBEP-UHFFFAOYSA-N 0 0 194.230 1.670 10 0 ADAERN CC(C)[C@@H](CC(=O)[O-])[C@H]1CC[N@@H+]1C 214052733 571708810 /nfs/dbraw/zinc/70/88/10/571708810.db2.gz PUXZBSSLXPQZQH-RKDXNWHRSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H](O)c1nc2cccnn2c1Cl 214064684 571708856 /nfs/dbraw/zinc/70/88/56/571708856.db2.gz OIIBYCHLKNKWIO-YFKPBYRVSA-N 0 0 197.625 1.436 10 0 ADAERN O=C([O-])[C@@]1(CC2CCC2)CCCC[NH2+]1 214050782 571708862 /nfs/dbraw/zinc/70/88/62/571708862.db2.gz VWALTQYZCQARBK-NSHDSACASA-N 0 0 197.278 1.774 10 0 ADAERN O[C@H]1C=CNc2cccnc21 103580152 571708865 /nfs/dbraw/zinc/70/88/65/571708865.db2.gz SQLOCPITGWCLGM-ZETCQYMHSA-N 0 0 148.165 1.054 10 0 ADAERN CC(C)[C@@H](CC(=O)[O-])[C@@H]1CC[N@@H+]1C 214052599 571708894 /nfs/dbraw/zinc/70/88/94/571708894.db2.gz PUXZBSSLXPQZQH-BDAKNGLRSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H](O)c1nc(Cl)n2ccncc12 214065370 571708902 /nfs/dbraw/zinc/70/89/02/571708902.db2.gz VCPYVUXATZDFDI-YFKPBYRVSA-N 0 0 197.625 1.436 10 0 ADAERN C[C@H](O)c1cnc2cnc(Cl)cn12 214065097 571708904 /nfs/dbraw/zinc/70/89/04/571708904.db2.gz XCUATCHCOXGBGY-YFKPBYRVSA-N 0 0 197.625 1.436 10 0 ADAERN COc1nc(Cl)cn2cc(C)nc12 214064449 571708959 /nfs/dbraw/zinc/70/89/59/571708959.db2.gz VBKVCLYODQCHAA-UHFFFAOYSA-N 0 0 197.625 1.700 10 0 ADAERN CC(C)O[C@](C)(C[NH3+])c1cnn(C)c1 214052271 571708961 /nfs/dbraw/zinc/70/89/61/571708961.db2.gz NJTLSKBOWZXHSV-SNVBAGLBSA-N 0 0 197.282 1.019 10 0 ADAERN CC[C@@H](NC1COC1)c1nccs1 70634272 571708981 /nfs/dbraw/zinc/70/89/81/571708981.db2.gz LKSHHSPXLRWGQC-MRVPVSSYSA-N 0 0 198.291 1.583 10 0 ADAERN CC[C@H](CCC(=O)[O-])[C@H]1CC[NH2+]C1 214050968 571708994 /nfs/dbraw/zinc/70/89/94/571708994.db2.gz HPDILNWUSWIGJU-BDAKNGLRSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1csc(N)c1-c1nonc1C 103535533 571709016 /nfs/dbraw/zinc/70/90/16/571709016.db2.gz QLIYDUPPQCICAE-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CC[C@@H](CCC(=O)[O-])[C@H]1CC[NH2+]C1 214050914 571709053 /nfs/dbraw/zinc/70/90/53/571709053.db2.gz HPDILNWUSWIGJU-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN CC(C)[C@H](CCC(=O)[O-])C1C[NH2+]C1 214051255 571709055 /nfs/dbraw/zinc/70/90/55/571709055.db2.gz YTVWERKRILJPHS-VIFPVBQESA-N 0 0 185.267 1.343 10 0 ADAERN C[C@H](O)c1ccn2c(Cl)cnc2n1 214065499 571709061 /nfs/dbraw/zinc/70/90/61/571709061.db2.gz DXEPRGSESKTPOJ-YFKPBYRVSA-N 0 0 197.625 1.436 10 0 ADAERN CC[C@H](C)[NH2+][C@@H](C)CCC(=O)[O-] 70633098 571709080 /nfs/dbraw/zinc/70/90/80/571709080.db2.gz UKGAPIAREGWYMO-YUMQZZPRSA-N 0 0 173.256 1.628 10 0 ADAERN CC(C)(C)O[C@@](C)(C[NH3+])c1cn[nH]c1 214052482 571709082 /nfs/dbraw/zinc/70/90/82/571709082.db2.gz BYXWTXOODBONMJ-JTQLQIEISA-N 0 0 197.282 1.399 10 0 ADAERN C[C@@H](O)C1(CCc2cnn(C)c2)CC1 235250807 571709102 /nfs/dbraw/zinc/70/91/02/571709102.db2.gz AMURHEZKRWZUDQ-SECBINFHSA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@H]1CCC[N@@H+]1C 214051767 571709105 /nfs/dbraw/zinc/70/91/05/571709105.db2.gz LNIDNQPJGOIPSB-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)CC[NH2+][C@H](C)CCC(=O)[O-] 70633130 571709110 /nfs/dbraw/zinc/70/91/10/571709110.db2.gz KKXNQRPYJSRKMF-SECBINFHSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)[C@H](CO)C1CC[NH+](C)CC1 214061100 571709175 /nfs/dbraw/zinc/70/91/75/571709175.db2.gz WSFNNIWHUYXXSV-NSHDSACASA-N 0 0 185.311 1.593 10 0 ADAERN C[C@@H](O)C1(CCc2ccnn2C)CC1 235250717 571709179 /nfs/dbraw/zinc/70/91/79/571709179.db2.gz XGKQNFRMORHZGQ-SECBINFHSA-N 0 0 194.278 1.514 10 0 ADAERN [NH3+]C1(c2cc3[nH]ccc3cn2)CC1 214057625 571709185 /nfs/dbraw/zinc/70/91/85/571709185.db2.gz QOKKGGVMRZBWMC-UHFFFAOYSA-N 0 0 173.219 1.511 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@@H]1CCC[N@@H+]1C 214051653 571709196 /nfs/dbraw/zinc/70/91/96/571709196.db2.gz LNIDNQPJGOIPSB-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCCC[NH2+][C@@H](C)CCC(=O)[O-] 70633127 571709201 /nfs/dbraw/zinc/70/92/01/571709201.db2.gz SKZANLSLTMTEAD-QMMMGPOBSA-N 0 0 173.256 1.629 10 0 ADAERN C[C@@H](O)c1cnc2cnc(Cl)cn12 214065154 571709230 /nfs/dbraw/zinc/70/92/30/571709230.db2.gz XCUATCHCOXGBGY-RXMQYKEDSA-N 0 0 197.625 1.436 10 0 ADAERN CC(C)[C@@H](CO)C1CC[NH+](C)CC1 214061040 571709261 /nfs/dbraw/zinc/70/92/61/571709261.db2.gz WSFNNIWHUYXXSV-LLVKDONJSA-N 0 0 185.311 1.593 10 0 ADAERN Cc1nc(N)nc2c(C)cccc12 214058708 571709267 /nfs/dbraw/zinc/70/92/67/571709267.db2.gz YKDZJPBNYWXKJL-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN O=C([O-])CCC[NH2+]CCc1ccco1 38059501 571709312 /nfs/dbraw/zinc/70/93/12/571709312.db2.gz DBJMPJAXRXKJKH-UHFFFAOYSA-N 0 0 197.234 1.277 10 0 ADAERN Cc1cc(Cl)c2c(c1)NC(=O)CO2 214063649 571709320 /nfs/dbraw/zinc/70/93/20/571709320.db2.gz WGWHJUMQDYOONM-UHFFFAOYSA-N 0 0 197.621 1.979 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+]C1CCC1 70633546 571709321 /nfs/dbraw/zinc/70/93/21/571709321.db2.gz PPDYCCHIRCIPSB-ZETCQYMHSA-N 0 0 171.240 1.382 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+][C@@H](C)C1CC1 70633277 571709437 /nfs/dbraw/zinc/70/94/37/571709437.db2.gz MUBPJXXXOWGNAI-YUMQZZPRSA-N 0 0 185.267 1.628 10 0 ADAERN CC(=O)N1CCC[C@H]([C@@H](C)O)CC1 214053062 571709449 /nfs/dbraw/zinc/70/94/49/571709449.db2.gz YJVPURPCGMBASK-SCZZXKLOSA-N 0 0 185.267 1.016 10 0 ADAERN C[N@@H+]1CCC[C@](CC2CC2)(C(=O)[O-])C1 214050988 571709465 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116708647 571711353 /nfs/dbraw/zinc/71/13/53/571711353.db2.gz WDOCMVHHWFVKEL-VIFPVBQESA-N 0 0 180.247 1.492 10 0 ADAERN CC(C)C[NH2+][C@H](C)CCC(=O)[O-] 70633102 571711394 /nfs/dbraw/zinc/71/13/94/571711394.db2.gz BAJUETOVUGCGSA-MRVPVSSYSA-N 0 0 173.256 1.485 10 0 ADAERN OC1(c2cnc3cc[nH]c3c2)CC1 214076509 571711399 /nfs/dbraw/zinc/71/13/99/571711399.db2.gz NPJDFLLXKUBJIB-UHFFFAOYSA-N 0 0 174.203 1.544 10 0 ADAERN CCCOc1ccc(C=O)cn1 83138081 571711404 /nfs/dbraw/zinc/71/14/04/571711404.db2.gz MFIYHHBEGFWQNX-UHFFFAOYSA-N 0 0 165.192 1.683 10 0 in-vitro ADAERN CCOC1CCC(C(=O)OC)CC1 125028507 571711426 /nfs/dbraw/zinc/71/14/26/571711426.db2.gz JXJGIEAZSCIAQG-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN COc1cc(OC)c(CF)cc1C=O 214081075 571711443 /nfs/dbraw/zinc/71/14/43/571711443.db2.gz NRYVLFGTQZLXSJ-UHFFFAOYSA-N 0 0 198.193 1.986 10 0 ADAERN Cc1ccn(C(=O)c2ccncc2)n1 504474 571711511 /nfs/dbraw/zinc/71/15/11/571711511.db2.gz FKIDIDXMIARGET-UHFFFAOYSA-N 0 0 187.202 1.275 10 0 ADAERN O=C([O-])CC[C@H]1CCCC[NH2+]C1 144963409 571711516 /nfs/dbraw/zinc/71/15/16/571711516.db2.gz BQPMVADLPWDNLY-MRVPVSSYSA-N 0 0 171.240 1.241 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+][C@@H]1CC1(C)C 70633492 571711549 /nfs/dbraw/zinc/71/15/49/571711549.db2.gz FJHURGVBMUPCLU-HTQZYQBOSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@@H](C)[NH2+][C@@H](C)CCC(=O)[O-] 70633097 571711562 /nfs/dbraw/zinc/71/15/62/571711562.db2.gz UKGAPIAREGWYMO-SFYZADRCSA-N 0 0 173.256 1.628 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]CC1CCC1 70633248 571711605 /nfs/dbraw/zinc/71/16/05/571711605.db2.gz BJCAXNQUUUQBTO-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN CC(=O)Cc1cnc2cc[nH]c2c1 214077020 571711638 /nfs/dbraw/zinc/71/16/38/571711638.db2.gz GEIPEPKSVRIHSK-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN CC[C@H](C)C[NH2+][C@H](C)CCC(=O)[O-] 70633584 571711657 /nfs/dbraw/zinc/71/16/57/571711657.db2.gz BKEYDIMLYYKUPK-DTWKUNHWSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)[NH2+][C@H](C)CCC(=O)[O-] 70633094 571711718 /nfs/dbraw/zinc/71/17/18/571711718.db2.gz YZTGVYNPCGEJMW-SSDOTTSWSA-N 0 0 159.229 1.238 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+][C@H]1C[C@@H]1C 70633549 571711736 /nfs/dbraw/zinc/71/17/36/571711736.db2.gz MENVQVBHMRLUBG-FXQIFTODSA-N 0 0 171.240 1.238 10 0 ADAERN CCC(=O)CCCS(=O)(=O)CC 38085901 571711740 /nfs/dbraw/zinc/71/17/40/571711740.db2.gz RWXSSRRLTXJGOB-UHFFFAOYSA-N 0 0 192.280 1.180 10 0 ADAERN OCCc1cccc(OC2CC2)c1 125611824 571711787 /nfs/dbraw/zinc/71/17/87/571711787.db2.gz ORJKGXCTYJGMOY-UHFFFAOYSA-N 0 0 178.231 1.763 10 0 ADAERN CO[C@H]1CCCC[C@]12C(=O)CCN2C 712134934 571712037 /nfs/dbraw/zinc/71/20/37/571712037.db2.gz PYTGTCZVPXADCB-QWRGUYRKSA-N 0 0 197.278 1.219 10 0 ADAERN C[C@]1([C@@H](O)C(F)F)CCCO1 687798511 571712182 /nfs/dbraw/zinc/71/21/82/571712182.db2.gz HLJLHJPPRWYHFQ-CAHLUQPWSA-N 0 0 166.167 1.182 10 0 ADAERN CC(=O)c1cnc2ccn(C)c2c1 214077727 571712188 /nfs/dbraw/zinc/71/21/88/571712188.db2.gz GBIPEYPBOHWTFC-UHFFFAOYSA-N 0 0 174.203 1.776 10 0 ADAERN C[C@@H](O)CCc1ccc(CO)cc1 116708645 571712282 /nfs/dbraw/zinc/71/22/82/571712282.db2.gz WDOCMVHHWFVKEL-SECBINFHSA-N 0 0 180.247 1.492 10 0 ADAERN COc1cc(CF)cc(C=O)c1OC 214081146 571712289 /nfs/dbraw/zinc/71/22/89/571712289.db2.gz BYTCQIWEXVSVRI-UHFFFAOYSA-N 0 0 198.193 1.986 10 0 ADAERN NN1NC=C(c2ccccc2)S1 22129902 571712327 /nfs/dbraw/zinc/71/23/27/571712327.db2.gz QJSZXZWMKYASRV-UHFFFAOYSA-N 0 0 179.248 1.327 10 0 ADAERN Cn1nc(N)c2cc3ccccc3nc21 11727737 571712362 /nfs/dbraw/zinc/71/23/62/571712362.db2.gz LTIFIBQQBHYJHQ-UHFFFAOYSA-N 0 0 198.229 1.704 10 0 ADAERN ONCc1ccc(Cl)c(O)c1 214070275 571712436 /nfs/dbraw/zinc/71/24/36/571712436.db2.gz BVNHEUYUYJBQIX-UHFFFAOYSA-N 0 0 173.599 1.524 10 0 ADAERN C/C(=C/C[NH2+][C@@H]1CCC[C@H]1C)C(=O)[O-] 235258727 571713486 /nfs/dbraw/zinc/71/34/86/571713486.db2.gz IPKGCEURNHGKIN-VGEVTBTPSA-N 0 0 197.278 1.796 10 0 ADAERN NN=Cc1ccc(N)cc1Cl 379289945 571712489 /nfs/dbraw/zinc/71/24/89/571712489.db2.gz JCNUVKFMXIWMOK-UHFFFAOYSA-N 0 0 169.615 1.215 10 0 ADAERN Cc1cccnc1OC1CCOCC1 144954952 571712715 /nfs/dbraw/zinc/71/27/15/571712715.db2.gz BTRKUYVTPQSDTI-UHFFFAOYSA-N 0 0 193.246 1.948 10 0 ADAERN COc1cc(C=O)cc(CF)c1OC 214081238 571712733 /nfs/dbraw/zinc/71/27/33/571712733.db2.gz KREPKXDYEVFRBC-UHFFFAOYSA-N 0 0 198.193 1.986 10 0 ADAERN CCS(=O)(=O)CC[C@@H](C)C(C)=O 38085903 571712791 /nfs/dbraw/zinc/71/27/91/571712791.db2.gz XNWAUKRRHYXFDA-SSDOTTSWSA-N 0 0 192.280 1.036 10 0 ADAERN C[C@H](O)/C=C/c1cccnc1 492994 571712794 /nfs/dbraw/zinc/71/27/94/571712794.db2.gz UFKIEVRTMVECLD-ZJELKQJVSA-N 0 0 149.193 1.476 10 0 ADAERN C[C@@H](O)c1cccnc1SCCO 235263189 571712797 /nfs/dbraw/zinc/71/27/97/571712797.db2.gz YMFQZWIGHZLOGN-SSDOTTSWSA-N 0 0 199.275 1.219 10 0 ADAERN CC(C)C(=O)N(C)Cc1cnns1 400001707 571712930 /nfs/dbraw/zinc/71/29/30/571712930.db2.gz ANWIODKOJZDTSX-UHFFFAOYSA-N 0 0 199.279 1.153 10 0 ADAERN Cc1ccn(C(=O)c2cccs2)n1 504472 571712991 /nfs/dbraw/zinc/71/29/91/571712991.db2.gz PGAZYRRLTQSGCW-UHFFFAOYSA-N 0 0 192.243 1.942 10 0 ADAERN COc1cc(CF)c(OC)cc1C=O 214081312 571713054 /nfs/dbraw/zinc/71/30/54/571713054.db2.gz YHNQBEJRIKKUKZ-UHFFFAOYSA-N 0 0 198.193 1.986 10 0 ADAERN Nc1cccc(-n2nccc2N)c1 214078051 571713247 /nfs/dbraw/zinc/71/32/47/571713247.db2.gz MFQWPSLPXRABHU-UHFFFAOYSA-N 0 0 174.207 1.037 10 0 ADAERN CCSCC(=O)[C@H](C)COC 687798519 571713280 /nfs/dbraw/zinc/71/32/80/571713280.db2.gz HXVBRFPNSZJZGR-SSDOTTSWSA-N 0 0 176.281 1.591 10 0 ADAERN C[C@@]1([C@H](O)C(F)F)CCCO1 687798514 571713468 /nfs/dbraw/zinc/71/34/68/571713468.db2.gz HLJLHJPPRWYHFQ-VDTYLAMSSA-N 0 0 166.167 1.182 10 0 ADAERN C[C@@H]1CCC[C@@H]1[NH2+]C/C=C/C(=O)[O-] 235265140 571713413 /nfs/dbraw/zinc/71/34/13/571713413.db2.gz WPXNSNXURXJDBK-CTXMHQRVSA-N 0 0 183.251 1.405 10 0 ADAERN C[C@H](Cc1ccco1)[NH2+]CCC(=O)[O-] 38092958 571713559 /nfs/dbraw/zinc/71/35/59/571713559.db2.gz KHKWVDVJJSEVHY-MRVPVSSYSA-N 0 0 197.234 1.275 10 0 ADAERN C[C@@]1([C@@H](O)C(F)F)CCCO1 687798512 571713675 /nfs/dbraw/zinc/71/36/75/571713675.db2.gz HLJLHJPPRWYHFQ-FSPLSTOPSA-N 0 0 166.167 1.182 10 0 ADAERN C[C@H]1C[C@@H]1c1[nH]nc2ncc(N)cc12 116612487 571713682 /nfs/dbraw/zinc/71/36/82/571713682.db2.gz ZMJPRAULPUPYDT-FSPLSTOPSA-N 0 0 188.234 1.664 10 0 ADAERN C[C@@H]1C[C@H]1c1[nH]nc2ncc(N)cc12 116612490 571713725 /nfs/dbraw/zinc/71/37/25/571713725.db2.gz ZMJPRAULPUPYDT-IYSWYEEDSA-N 0 0 188.234 1.664 10 0 ADAERN CO[C@H]1CCCC[C@@]12C(=O)CCN2C 712134942 571713820 /nfs/dbraw/zinc/71/38/20/571713820.db2.gz PYTGTCZVPXADCB-WDEREUQCSA-N 0 0 197.278 1.219 10 0 ADAERN CC(=O)Cc1coc2ncccc12 214100860 571714021 /nfs/dbraw/zinc/71/40/21/571714021.db2.gz DESCSLKWZRTRED-UHFFFAOYSA-N 0 0 175.187 1.959 10 0 ADAERN OC1(c2ccc3conc3c2)CC1 214100142 571714321 /nfs/dbraw/zinc/71/43/21/571714321.db2.gz SDMACZUVSPQVBO-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN CCOc1cc(CO)cc(O)c1OC 214090679 571715354 /nfs/dbraw/zinc/71/53/54/571715354.db2.gz UWLIUEMSMSTEEU-UHFFFAOYSA-N 0 0 198.218 1.292 10 0 ADAERN OC1(c2coc3ccncc23)CC1 214099466 571714430 /nfs/dbraw/zinc/71/44/30/571714430.db2.gz LRBQHQBKQQVTJL-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN S=C1NC[C@H](Cc2ccccc2)N1 116625956 571714443 /nfs/dbraw/zinc/71/44/43/571714443.db2.gz AYOSMVQZZOYJPB-VIFPVBQESA-N 0 0 192.287 1.075 10 0 ADAERN COC(=O)N(C)Cc1ccc(O)cc1 38092235 571714448 /nfs/dbraw/zinc/71/44/48/571714448.db2.gz LULLQOYWZHZSBV-UHFFFAOYSA-N 0 0 195.218 1.590 10 0 ADAERN ONCc1cnc2ccncc2c1 214102448 571714452 /nfs/dbraw/zinc/71/44/52/571714452.db2.gz ZXNPMHPHBJCXFB-UHFFFAOYSA-N 0 0 175.191 1.109 10 0 ADAERN NC(=S)NC12CCC(CC1)C2 116645793 571714464 /nfs/dbraw/zinc/71/44/64/571714464.db2.gz NYKABPMOBIJFCK-UHFFFAOYSA-N 0 0 170.281 1.152 10 0 ADAERN COc1ccc(O)c([C@H](C)O)c1OC 214090250 571714493 /nfs/dbraw/zinc/71/44/93/571714493.db2.gz AZFDSMRQHOZDNZ-LURJTMIESA-N 0 0 198.218 1.463 10 0 ADAERN C[C@]1([C@H](O)C(F)F)CCCO1 687798513 571714532 /nfs/dbraw/zinc/71/45/32/571714532.db2.gz HLJLHJPPRWYHFQ-IYSWYEEDSA-N 0 0 166.167 1.182 10 0 ADAERN C/C=C\CC[C@@H](O)COC 220440355 571714556 /nfs/dbraw/zinc/71/45/56/571714556.db2.gz KBJVIMKYJBRUEF-TUUFMJSCSA-N 0 0 144.214 1.350 10 0 ADAERN CC(=O)Cc1ccc2conc2c1 214100943 571715850 /nfs/dbraw/zinc/71/58/50/571715850.db2.gz NYFFVNZGLQSULP-UHFFFAOYSA-N 0 0 175.187 1.959 10 0 ADAERN Cc1nc(CNOC(C)C)oc1C 393392031 571715936 /nfs/dbraw/zinc/71/59/36/571715936.db2.gz CFVHMIODSOLOTN-UHFFFAOYSA-N 0 0 184.239 1.721 10 0 ADAERN CC[C@H](C)n1ccc(CC(C)=O)n1 84843864 571714565 /nfs/dbraw/zinc/71/45/65/571714565.db2.gz STUQTLPAZOPIJA-QMMMGPOBSA-N 0 0 180.251 1.986 10 0 ADAERN O[C@H](c1[nH]nc2ncccc12)C1CC1 116613502 571714649 /nfs/dbraw/zinc/71/46/49/571714649.db2.gz IIJMWLUMIQGNJO-VIFPVBQESA-N 0 0 189.218 1.401 10 0 ADAERN Cc1nc(C(C)(C)C)oc1CCO 116622896 571714673 /nfs/dbraw/zinc/71/46/73/571714673.db2.gz NTKLPBFJCQGBBO-UHFFFAOYSA-N 0 0 183.251 1.815 10 0 ADAERN C[C@@H](O)[C@@H](C)SCC(=O)C1CC1 235268953 571714908 /nfs/dbraw/zinc/71/49/08/571714908.db2.gz IKGLHALEBTZUSY-RNFRBKRXSA-N 0 0 188.292 1.468 10 0 ADAERN OC1(c2cc3ccoc3cn2)CC1 214099300 571714747 /nfs/dbraw/zinc/71/47/47/571714747.db2.gz OXTQRPVVBAVZCM-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN COC1(Cn2ccnn2)CCCC1 335240858 571714766 /nfs/dbraw/zinc/71/47/66/571714766.db2.gz YFOYTIHQKKLUHK-UHFFFAOYSA-N 0 0 181.239 1.237 10 0 ADAERN CO[C@@H]1CCCC[C@@]12C(=O)CCN2C 712134910 571714851 /nfs/dbraw/zinc/71/48/51/571714851.db2.gz PYTGTCZVPXADCB-GHMZBOCLSA-N 0 0 197.278 1.219 10 0 ADAERN Nc1ncc2c(n1)-c1ccccc1NC2 214099237 571714869 /nfs/dbraw/zinc/71/48/69/571714869.db2.gz IRQHJPFKGHNZAP-UHFFFAOYSA-N 0 0 198.229 1.651 10 0 ADAERN CO[C@@H]1CCCC[C@]12C(=O)CCN2C 712134924 571714902 /nfs/dbraw/zinc/71/49/02/571714902.db2.gz PYTGTCZVPXADCB-MNOVXSKESA-N 0 0 197.278 1.219 10 0 ADAERN COC[C@@H](C)C(=O)C1CCC1 687798527 571714904 /nfs/dbraw/zinc/71/49/04/571714904.db2.gz BSCGTKXEQKZDFW-SSDOTTSWSA-N 0 0 156.225 1.638 10 0 ADAERN CC(=O)Cc1coc2ccncc12 214100694 571714959 /nfs/dbraw/zinc/71/49/59/571714959.db2.gz WNCAIGNMSWKUAT-UHFFFAOYSA-N 0 0 175.187 1.959 10 0 ADAERN COc1cc([C@@H](C)O)cc(O)c1OC 214090526 571714975 /nfs/dbraw/zinc/71/49/75/571714975.db2.gz KHYGQINZXIETNF-ZCFIWIBFSA-N 0 0 198.218 1.463 10 0 ADAERN COc1cc(O)c([C@@H](C)O)cc1OC 214090410 571715076 /nfs/dbraw/zinc/71/50/76/571715076.db2.gz HDJUIBACWUFQDA-ZCFIWIBFSA-N 0 0 198.218 1.463 10 0 ADAERN COc1cc(O)c([C@H](C)O)cc1OC 214090364 571715111 /nfs/dbraw/zinc/71/51/11/571715111.db2.gz HDJUIBACWUFQDA-LURJTMIESA-N 0 0 198.218 1.463 10 0 ADAERN C/C=C(\C)N1CCOC1=O 214093773 571715126 /nfs/dbraw/zinc/71/51/26/571715126.db2.gz MREFBRXBMRZKBF-ZZXKWVIFSA-N 0 0 141.170 1.362 10 0 ADAERN C[C@@]1(C(=O)C(F)F)CCCO1 687798522 571715183 /nfs/dbraw/zinc/71/51/83/571715183.db2.gz UNQRDPHBLUHULJ-ZETCQYMHSA-N 0 0 164.151 1.390 10 0 ADAERN CC[C@@H](C)n1ccc(CC(C)=O)n1 84843861 571715274 /nfs/dbraw/zinc/71/52/74/571715274.db2.gz STUQTLPAZOPIJA-MRVPVSSYSA-N 0 0 180.251 1.986 10 0 ADAERN OC1(c2coc3cnccc23)CC1 214099551 571715307 /nfs/dbraw/zinc/71/53/07/571715307.db2.gz KFDCNROIHBCION-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN CCCCC(=O)N1CCCC(=O)C1 133841697 571715955 /nfs/dbraw/zinc/71/59/55/571715955.db2.gz MMQBYXKQUCSEAU-UHFFFAOYSA-N 0 0 183.251 1.368 10 0 ADAERN NC(=O)Cc1ccc2cc[nH]c2c1 116653049 571715956 /nfs/dbraw/zinc/71/59/56/571715956.db2.gz PXQHLENPMDFVSC-UHFFFAOYSA-N 0 0 174.203 1.196 10 0 ADAERN OC1(c2coc3ncccc23)CC1 214099642 571715383 /nfs/dbraw/zinc/71/53/83/571715383.db2.gz YBGQUDRLFAPDFE-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN CN(/C=C\c1ccccc1)C(N)=O 113215181 571715388 /nfs/dbraw/zinc/71/53/88/571715388.db2.gz ULCQSIJQZCIQNF-FPLPWBNLSA-N 0 0 176.219 1.668 10 0 ADAERN CC(=O)c1cnc2cc(C)nn2c1 214102286 571715391 /nfs/dbraw/zinc/71/53/91/571715391.db2.gz LNSMVFVGOUXYQF-UHFFFAOYSA-N 0 0 175.191 1.240 10 0 ADAERN OCCCc1ccn(C2CCCC2)n1 84843984 571715425 /nfs/dbraw/zinc/71/54/25/571715425.db2.gz OWINBQMGIMANOW-UHFFFAOYSA-N 0 0 194.278 1.923 10 0 ADAERN OC1(c2coc3cccnc23)CC1 214099389 571715438 /nfs/dbraw/zinc/71/54/38/571715438.db2.gz ZEHJJPIGWPPNTH-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H]1C[C@H]1C 235277419 571715441 /nfs/dbraw/zinc/71/54/41/571715441.db2.gz QRNARZHQSPPIHG-DZPDEKMQSA-N 0 0 169.224 1.015 10 0 ADAERN OC1(c2cc3cnccc3o2)CC1 214099720 571715463 /nfs/dbraw/zinc/71/54/63/571715463.db2.gz SISPIEIIDXQGRY-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN CCOCC[C@H](O)CSCC 687798541 571715491 /nfs/dbraw/zinc/71/54/91/571715491.db2.gz YDOVQVRTRPKFJK-QMMMGPOBSA-N 0 0 178.297 1.527 10 0 ADAERN CC(C)Nc1n[nH]c2ncc(N)cc12 116614532 571715498 /nfs/dbraw/zinc/71/54/98/571715498.db2.gz ZUWVWFBGBXGSIN-UHFFFAOYSA-N 0 0 191.238 1.360 10 0 ADAERN On1cnc2ccc(Cl)cc21 95922894 571715569 /nfs/dbraw/zinc/71/55/69/571715569.db2.gz SJCUHXXRXQGCIF-UHFFFAOYSA-N 0 0 168.583 1.927 10 0 ADAERN OC1(c2cc3ncccc3o2)CC1 214099964 571715592 /nfs/dbraw/zinc/71/55/92/571715592.db2.gz DUVSBLNXDUXXGO-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN C[C@@H]1C[C@@H]1c1[nH]nc2ncc(N)cc12 116612484 571715640 /nfs/dbraw/zinc/71/56/40/571715640.db2.gz ZMJPRAULPUPYDT-VDTYLAMSSA-N 0 0 188.234 1.664 10 0 ADAERN CC(=O)Cc1coc2cnccc12 214100775 571715656 /nfs/dbraw/zinc/71/56/56/571715656.db2.gz KAJPATKSYJJDKM-UHFFFAOYSA-N 0 0 175.187 1.959 10 0 ADAERN O[C@@H](c1[nH]nc2ncccc12)C1CC1 116613503 571715669 /nfs/dbraw/zinc/71/56/69/571715669.db2.gz IIJMWLUMIQGNJO-SECBINFHSA-N 0 0 189.218 1.401 10 0 ADAERN COc1ccc(O)c([C@@H](C)O)c1OC 214090289 571715972 /nfs/dbraw/zinc/71/59/72/571715972.db2.gz AZFDSMRQHOZDNZ-ZCFIWIBFSA-N 0 0 198.218 1.463 10 0 ADAERN OC1(c2cc3cccnc3o2)CC1 214099884 571715862 /nfs/dbraw/zinc/71/58/62/571715862.db2.gz JSQJFZVVZOABFD-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN COc1ccc(O)c(C)c1O 116653415 571715895 /nfs/dbraw/zinc/71/58/95/571715895.db2.gz NKVHOOSGIMUZGF-UHFFFAOYSA-N 0 0 154.165 1.415 10 0 ADAERN Cc1nc(CNC[C@H]2C[C@H]2C)no1 235279246 571716087 /nfs/dbraw/zinc/71/60/87/571716087.db2.gz SCQKKHPFWMKZJI-HTRCEHHLSA-N 0 0 181.239 1.124 10 0 ADAERN O=C([O-])CC[C@H]1CC[N@@H+](C2CCC2)C1 134705884 571716110 /nfs/dbraw/zinc/71/61/10/571716110.db2.gz PWEXNWAURSAUTD-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN COC[C@H](C)C(=O)C1CCC1 687798528 571716134 /nfs/dbraw/zinc/71/61/34/571716134.db2.gz BSCGTKXEQKZDFW-ZETCQYMHSA-N 0 0 156.225 1.638 10 0 ADAERN C[C@]1(C(=O)C(F)F)CCCO1 687798521 571716257 /nfs/dbraw/zinc/71/62/57/571716257.db2.gz UNQRDPHBLUHULJ-SSDOTTSWSA-N 0 0 164.151 1.390 10 0 ADAERN CC/C=C\C[C@H](O)CCOC(C)=O 14616841 571716281 /nfs/dbraw/zinc/71/62/81/571716281.db2.gz WWZCBOHSNDHUER-LWTINBJPSA-N 0 0 186.251 1.657 10 0 endogenous,in-man ADAERN CCOCC[C@@H](O)CSCC 687798540 571716282 /nfs/dbraw/zinc/71/62/82/571716282.db2.gz YDOVQVRTRPKFJK-MRVPVSSYSA-N 0 0 178.297 1.527 10 0 ADAERN CC/C=C\C[C@@H](O)CCOC(C)=O 14616840 571716293 /nfs/dbraw/zinc/71/62/93/571716293.db2.gz WWZCBOHSNDHUER-UMCURTJPSA-N 0 0 186.251 1.657 10 0 endogenous,in-man ADAERN CC/C=C\C[C@H](O)CCO 14616839 571716354 /nfs/dbraw/zinc/71/63/54/571716354.db2.gz QTHIKVMVWXLPKQ-VEMNSZJBSA-N 0 0 144.214 1.086 10 0 endogenous,in-man ADAERN CCSCC(=O)[C@@H](C)COC 687798520 571716388 /nfs/dbraw/zinc/71/63/88/571716388.db2.gz HXVBRFPNSZJZGR-ZETCQYMHSA-N 0 0 176.281 1.591 10 0 ADAERN CCn1ncc(CNO)c1Cl 214119588 571716569 /nfs/dbraw/zinc/71/65/69/571716569.db2.gz RUFYEUNCMCGKSW-UHFFFAOYSA-N 0 0 175.619 1.035 10 0 ADAERN [NH3+]CCCNc1cccc(C(=O)[O-])c1 134133595 571716707 /nfs/dbraw/zinc/71/67/07/571716707.db2.gz GMUGQKOPLSUZSM-UHFFFAOYSA-N 0 0 194.234 1.146 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@](C)(CC)CO 113217487 571716715 /nfs/dbraw/zinc/71/67/15/571716715.db2.gz BUYHVRZQBLVJOO-AEJSXWLSSA-N 0 0 174.284 1.802 10 0 ADAERN CC(C)(C)OC(=O)N1CCC1 95836516 571716824 /nfs/dbraw/zinc/71/68/24/571716824.db2.gz LZZMOSRUOYLRAJ-UHFFFAOYSA-N 0 0 156.205 1.441 10 0 ADAERN CCCC[C@@](O)(CC)CCO 113218888 571716857 /nfs/dbraw/zinc/71/68/57/571716857.db2.gz CCKTVTGTWWNRHX-VIFPVBQESA-N 0 0 160.257 1.700 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H](O)CCCO)C1 235278303 571716863 /nfs/dbraw/zinc/71/68/63/571716863.db2.gz VXDOUAZNZLNGRC-VWYCJHECSA-N 0 0 186.295 1.946 10 0 ADAERN CC[C@@H]1CC[C@@H](N[C@@H](C)C(=O)OC)C1 70643207 571717038 /nfs/dbraw/zinc/71/70/38/571717038.db2.gz QFAJAZXMVIFPOB-IVZWLZJFSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H]1CC[C@@H]([NH2+]CC(=O)[O-])C1 70642992 571717120 /nfs/dbraw/zinc/71/71/20/571717120.db2.gz IUKULQJYUSGXBL-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN CC(=O)[C@@H](C)OC1CCCC1 687798561 571717129 /nfs/dbraw/zinc/71/71/29/571717129.db2.gz DDSFJOPXWMXKGH-MRVPVSSYSA-N 0 0 156.225 1.923 10 0 ADAERN CC[C@H]1CC[C@H]([NH2+]CC(=O)[O-])C1 70642990 571717132 /nfs/dbraw/zinc/71/71/32/571717132.db2.gz IUKULQJYUSGXBL-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN O=S1(=O)CCCc2cccc(O)c21 214104285 571717183 /nfs/dbraw/zinc/71/71/83/571717183.db2.gz NNNRGEHLYIKJDX-UHFFFAOYSA-N 0 0 198.243 1.112 10 0 ADAERN CC[C@@H]1CC[C@@H]([NH2+]CC(=O)[O-])C1 70642991 571717193 /nfs/dbraw/zinc/71/71/93/571717193.db2.gz IUKULQJYUSGXBL-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN CCOC(=O)CN[C@@H]1CC[C@@H](C)C1 70643315 571717280 /nfs/dbraw/zinc/71/72/80/571717280.db2.gz LOUUZJMWKICFMJ-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN O[C@H](C[C@H]1CCCO1)C(F)F 687798556 571717317 /nfs/dbraw/zinc/71/73/17/571717317.db2.gz ZLFGEXMPOACJJQ-PHDIDXHHSA-N 0 0 166.167 1.182 10 0 ADAERN Cc1ncc([C@H]2C(=O)CCN2C)s1 712168398 571717449 /nfs/dbraw/zinc/71/74/49/571717449.db2.gz YZEZFHRHHDCJJW-SECBINFHSA-N 0 0 196.275 1.397 10 0 ADAERN CC(C)COC(=O)N1CCCC(=O)C1 133940795 571717477 /nfs/dbraw/zinc/71/74/77/571717477.db2.gz JZFRGNBJTJHNPY-UHFFFAOYSA-N 0 0 199.250 1.444 10 0 ADAERN OC(O)[C@H](C1CC1)[C@@H]1CCSC1 214112811 571717481 /nfs/dbraw/zinc/71/74/81/571717481.db2.gz DPVWCSDHUFKLGO-HTQZYQBOSA-N 0 0 188.292 1.076 10 0 ADAERN CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)[O-])C1 70643652 571717495 /nfs/dbraw/zinc/71/74/95/571717495.db2.gz RDAPFXKTHNLFFM-CIUDSAMLSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@H]1CC[C@H]([NH2+]CCC(=O)[O-])C1 70643006 571717503 /nfs/dbraw/zinc/71/75/03/571717503.db2.gz KDDDIMIEBCZYRH-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H]1CC[C@H]([NH2+]C/C=C/C(=O)[O-])C1 235276899 571717504 /nfs/dbraw/zinc/71/75/04/571717504.db2.gz BJRLNKMZUJLTQQ-ALCGYSGWSA-N 0 0 183.251 1.405 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)C(F)F 687798555 571717533 /nfs/dbraw/zinc/71/75/33/571717533.db2.gz ZLFGEXMPOACJJQ-NTSWFWBYSA-N 0 0 166.167 1.182 10 0 ADAERN COCc1ccc(CNOC)cc1 134229058 571717552 /nfs/dbraw/zinc/71/75/52/571717552.db2.gz RIGMRFJGLBNBGV-UHFFFAOYSA-N 0 0 181.235 1.484 10 0 ADAERN [NH3+]CC[C@@H](C(=O)[O-])C1CCCC1 134231763 571717571 /nfs/dbraw/zinc/71/75/71/571717571.db2.gz HBCWKYNZNJUCRT-MRVPVSSYSA-N 0 0 171.240 1.226 10 0 ADAERN CCOC(=O)CN[C@H]1CC[C@@H](CC)C1 70643309 571717575 /nfs/dbraw/zinc/71/75/75/571717575.db2.gz GGPGDVFFWQNLLG-ZJUUUORDSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H](C(O)O)[C@H]1CCCOCC1 214109867 571717598 /nfs/dbraw/zinc/71/75/98/571717598.db2.gz BERAIIMKWGTSKJ-IUCAKERBSA-N 0 0 188.267 1.140 10 0 ADAERN CC(C)CCC(=O)N1CCCC(=O)C1 133888917 571717599 /nfs/dbraw/zinc/71/75/99/571717599.db2.gz ILZFERZWNDMWFK-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN O=C([O-])CC[C@@H]1CC[N@@H+](C2CCC2)C1 134705910 571717633 /nfs/dbraw/zinc/71/76/33/571717633.db2.gz PWEXNWAURSAUTD-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1ncoc1[C@@](C)(C[NH3+])OC(C)C 214109485 571717653 /nfs/dbraw/zinc/71/76/53/571717653.db2.gz DXVVJZFFZAYWIR-SNVBAGLBSA-N 0 0 198.266 1.582 10 0 ADAERN Cc1cc(CO)cc2ccn(C)c12 214109427 571717665 /nfs/dbraw/zinc/71/76/65/571717665.db2.gz REYHFTWJEYZSFM-UHFFFAOYSA-N 0 0 175.231 1.979 10 0 ADAERN OC(O)[C@@H](C1CCC1)C1CSC1 214113286 571717719 /nfs/dbraw/zinc/71/77/19/571717719.db2.gz XTCISDJYVZSGAW-QMMMGPOBSA-N 0 0 188.292 1.076 10 0 ADAERN [NH3+]CC[C@H](C(=O)[O-])C1CCCCC1 134222859 571717727 /nfs/dbraw/zinc/71/77/27/571717727.db2.gz CTHFQNSXDOANQC-VIFPVBQESA-N 0 0 185.267 1.616 10 0 ADAERN CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)[O-])C1 70643651 571717753 /nfs/dbraw/zinc/71/77/53/571717753.db2.gz RDAPFXKTHNLFFM-YIZRAAEISA-N 0 0 185.267 1.628 10 0 ADAERN OC(O)[C@H](C1CCC1)C1CSC1 214113346 571717784 /nfs/dbraw/zinc/71/77/84/571717784.db2.gz XTCISDJYVZSGAW-MRVPVSSYSA-N 0 0 188.292 1.076 10 0 ADAERN NC(=O)N/C=C\c1ccccc1 113212591 571717799 /nfs/dbraw/zinc/71/77/99/571717799.db2.gz UIAQKKORDMUAST-SREVYHEPSA-N 0 0 162.192 1.326 10 0 ADAERN CC[C@@H]1CC[C@@H]([NH2+]CCC(=O)[O-])C1 70643007 571717815 /nfs/dbraw/zinc/71/78/15/571717815.db2.gz KDDDIMIEBCZYRH-RKDXNWHRSA-N 0 0 185.267 1.629 10 0 ADAERN CCOC(=O)CN[C@H]1CC[C@@H](C)C1 70643316 571717825 /nfs/dbraw/zinc/71/78/25/571717825.db2.gz LOUUZJMWKICFMJ-BDAKNGLRSA-N 0 0 185.267 1.328 10 0 ADAERN CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)[O-])C1 70643653 571717843 /nfs/dbraw/zinc/71/78/43/571717843.db2.gz RDAPFXKTHNLFFM-DJLDLDEBSA-N 0 0 185.267 1.628 10 0 ADAERN CSc1c(CO)ccc2c1OCO2 214104687 571717895 /nfs/dbraw/zinc/71/78/95/571717895.db2.gz XYXZDLQRJFOIEW-UHFFFAOYSA-N 0 0 198.243 1.630 10 0 ADAERN Cc1cnc([C@](C)(C[NH3+])OC(C)C)o1 214109401 571717914 /nfs/dbraw/zinc/71/79/14/571717914.db2.gz QGJKEQNUPIJYID-JTQLQIEISA-N 0 0 198.266 1.582 10 0 ADAERN CC[C@H]1CC[C@@H](N[C@@H](C)C(=O)OC)C1 70643208 571717916 /nfs/dbraw/zinc/71/79/16/571717916.db2.gz QFAJAZXMVIFPOB-LPEHRKFASA-N 0 0 199.294 1.716 10 0 ADAERN Cc1ncoc1[C@](C)(C[NH3+])OC(C)C 214109533 571717938 /nfs/dbraw/zinc/71/79/38/571717938.db2.gz DXVVJZFFZAYWIR-JTQLQIEISA-N 0 0 198.266 1.582 10 0 ADAERN C[C@@H]1C[C@H]1[NH2+]Cc1occc1C(=O)[O-] 235281331 571717953 /nfs/dbraw/zinc/71/79/53/571717953.db2.gz WLVXGVXMQSHHOQ-HTRCEHHLSA-N 0 0 195.218 1.476 10 0 ADAERN CC[C@H]1CC[C@H](N[C@@H](C)C(=O)OC)C1 70643206 571718062 /nfs/dbraw/zinc/71/80/62/571718062.db2.gz QFAJAZXMVIFPOB-GUBZILKMSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@@H]1CC[C@H](NCC(=O)OC)C1 70642753 571718106 /nfs/dbraw/zinc/71/81/06/571718106.db2.gz HCKOVMMVDRFFGX-BDAKNGLRSA-N 0 0 185.267 1.328 10 0 ADAERN COc1cc2c(cc1CO)OCS2 214104608 571718127 /nfs/dbraw/zinc/71/81/27/571718127.db2.gz UOUGKVDMUPHKKY-UHFFFAOYSA-N 0 0 198.243 1.630 10 0 ADAERN Cc1oncc1[C@](C)(C[NH3+])OC(C)C 214109274 571718138 /nfs/dbraw/zinc/71/81/38/571718138.db2.gz LDDCAZIWBNNZLT-JTQLQIEISA-N 0 0 198.266 1.582 10 0 ADAERN CCC/C(=C(\C)C(N)=O)N(C)C 113215856 571718168 /nfs/dbraw/zinc/71/81/68/571718168.db2.gz KAQAWDGSMWUUDO-FPLPWBNLSA-N 0 0 170.256 1.107 10 0 ADAERN CCOC(=O)CN[C@H]1CC[C@H](C)C1 70643314 571718188 /nfs/dbraw/zinc/71/81/88/571718188.db2.gz LOUUZJMWKICFMJ-IUCAKERBSA-N 0 0 185.267 1.328 10 0 ADAERN OC(O)[C@@H](C1CC1)[C@H]1CCSC1 214112872 571718207 /nfs/dbraw/zinc/71/82/07/571718207.db2.gz DPVWCSDHUFKLGO-YUMQZZPRSA-N 0 0 188.292 1.076 10 0 ADAERN Cc1cnc([C@@](C)(C[NH3+])OC(C)C)o1 214109350 571718213 /nfs/dbraw/zinc/71/82/13/571718213.db2.gz QGJKEQNUPIJYID-SNVBAGLBSA-N 0 0 198.266 1.582 10 0 ADAERN CCOC(=O)CN[C@@H]1CC[C@@H](CC)C1 70643311 571718230 /nfs/dbraw/zinc/71/82/30/571718230.db2.gz GGPGDVFFWQNLLG-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN CCN(C)C(=O)[C@@H](N)c1cccs1 133961665 571718241 /nfs/dbraw/zinc/71/82/41/571718241.db2.gz FJRGRBVXEIQTRB-QMMMGPOBSA-N 0 0 198.291 1.226 10 0 ADAERN CC[C@H](C(O)O)[C@@H]1CCCOCC1 214109758 571718256 /nfs/dbraw/zinc/71/82/56/571718256.db2.gz BERAIIMKWGTSKJ-BDAKNGLRSA-N 0 0 188.267 1.140 10 0 ADAERN CO[C@H](CNN1CCCCC1)C1CC1 400194914 571718280 /nfs/dbraw/zinc/71/82/80/571718280.db2.gz OHTBNHPIULPBDW-LLVKDONJSA-N 0 0 198.310 1.402 10 0 ADAERN Cc1ncc([C@@H]2C(=O)CCN2C)s1 712168401 571718299 /nfs/dbraw/zinc/71/82/99/571718299.db2.gz YZEZFHRHHDCJJW-VIFPVBQESA-N 0 0 196.275 1.397 10 0 ADAERN CCOC(=O)CN[C@@H]1CC[C@H](C)C1 70643313 571718316 /nfs/dbraw/zinc/71/83/16/571718316.db2.gz LOUUZJMWKICFMJ-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN CC[C@H]1CC[C@@H]([NH2+]CCC(=O)[O-])C1 70643008 571718356 /nfs/dbraw/zinc/71/83/56/571718356.db2.gz KDDDIMIEBCZYRH-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)N(CCCO)C(=O)[C@H]1C[C@H]1C 38098455 571718371 /nfs/dbraw/zinc/71/83/71/571718371.db2.gz IYMKIFYOHDALDH-ZJUUUORDSA-N 0 0 199.294 1.262 10 0 ADAERN [NH3+]CC[C@H](C(=O)[O-])C1CCCC1 134231783 571718390 /nfs/dbraw/zinc/71/83/90/571718390.db2.gz HBCWKYNZNJUCRT-QMMMGPOBSA-N 0 0 171.240 1.226 10 0 ADAERN Cc1oncc1[C@@](C)(C[NH3+])OC(C)C 214109222 571718471 /nfs/dbraw/zinc/71/84/71/571718471.db2.gz LDDCAZIWBNNZLT-SNVBAGLBSA-N 0 0 198.266 1.582 10 0 ADAERN CCOC(=O)CN[C@H]1CC[C@H](CC)C1 70643310 571718496 /nfs/dbraw/zinc/71/84/96/571718496.db2.gz GGPGDVFFWQNLLG-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@@H]1CC[C@@H](NCC(=O)OC)C1 70642755 571718550 /nfs/dbraw/zinc/71/85/50/571718550.db2.gz HCKOVMMVDRFFGX-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN COC[C@@H](CO)c1ccccc1F 134064984 571718569 /nfs/dbraw/zinc/71/85/69/571718569.db2.gz QOKZCDJYSLWGJZ-MRVPVSSYSA-N 0 0 184.210 1.548 10 0 ADAERN Cc1cc([C@H]2C(=O)CCN2C)sn1 712168179 571718615 /nfs/dbraw/zinc/71/86/15/571718615.db2.gz HZZYZOUYLWHJHR-SECBINFHSA-N 0 0 196.275 1.397 10 0 ADAERN C=C=C[C@@H](O)CC 138786514 571718653 /nfs/dbraw/zinc/71/86/53/571718653.db2.gz YGPFRDUYARNNCE-LURJTMIESA-N 0 0 98.145 1.098 10 0 ADAERN OC(O)[C@H](C1CC1)[C@H]1CCSC1 214112935 571718723 /nfs/dbraw/zinc/71/87/23/571718723.db2.gz DPVWCSDHUFKLGO-JGVFFNPUSA-N 0 0 188.292 1.076 10 0 ADAERN O[C@@H](C[C@@H]1CCCO1)C(F)F 687798558 571718771 /nfs/dbraw/zinc/71/87/71/571718771.db2.gz ZLFGEXMPOACJJQ-WDSKDSINSA-N 0 0 166.167 1.182 10 0 ADAERN CO[C@@H](COC(C)=O)c1ccccc1 138843516 571718791 /nfs/dbraw/zinc/71/87/91/571718791.db2.gz AGBIXWBGICTXCB-NSHDSACASA-N 0 0 194.230 1.937 10 0 ADAERN CC[C@@H](C(O)O)[C@H]1CCCOCC1 214109924 571718811 /nfs/dbraw/zinc/71/88/11/571718811.db2.gz BERAIIMKWGTSKJ-DTWKUNHWSA-N 0 0 188.267 1.140 10 0 ADAERN COCC[C@@H](C)[C@H](NN)C(C)(F)F 393395130 571722243 /nfs/dbraw/zinc/72/22/43/571722243.db2.gz UMFFMTAORJLRJT-RQJHMYQMSA-N 0 0 196.241 1.146 10 0 ADAERN CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)[O-])C1 70643654 571718840 /nfs/dbraw/zinc/71/88/40/571718840.db2.gz RDAPFXKTHNLFFM-XHNCKOQMSA-N 0 0 185.267 1.628 10 0 ADAERN CC(C)OCC(=O)c1cccc(N)c1 139944504 571718918 /nfs/dbraw/zinc/71/89/18/571718918.db2.gz YRCDTLYVNXVENX-UHFFFAOYSA-N 0 0 193.246 1.877 10 0 ADAERN CC[C@@H]1CC[C@H]([NH2+]CCC(=O)[O-])C1 70643005 571718919 /nfs/dbraw/zinc/71/89/19/571718919.db2.gz KDDDIMIEBCZYRH-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN O[C@@H](C[C@H]1CCCO1)C(F)F 687798557 571718968 /nfs/dbraw/zinc/71/89/68/571718968.db2.gz ZLFGEXMPOACJJQ-RITPCOANSA-N 0 0 166.167 1.182 10 0 ADAERN CC[C@@H]1CC[C@H]([NH2+]CC(=O)[O-])C1 70642989 571718975 /nfs/dbraw/zinc/71/89/75/571718975.db2.gz IUKULQJYUSGXBL-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@H]1C[C@H]1[NH2+]CCCCC(=O)[O-] 235278092 571718983 /nfs/dbraw/zinc/71/89/83/571718983.db2.gz LVVIZMQDCYEKOQ-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN CCCC[C@](O)(CC)CCO 113218890 571718995 /nfs/dbraw/zinc/71/89/95/571718995.db2.gz CCKTVTGTWWNRHX-SECBINFHSA-N 0 0 160.257 1.700 10 0 ADAERN CC(=O)CCS[C@H](C)[C@@H](C)O 235276499 571719001 /nfs/dbraw/zinc/71/90/01/571719001.db2.gz DPZYVUUMKRBYFB-HTQZYQBOSA-N 0 0 176.281 1.468 10 0 ADAERN CC(=O)[C@H](C)OC1CCCC1 687798562 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/nfs/dbraw/zinc/71/94/73/571719473.db2.gz QQSOOOMYVLWKHQ-UHFFFAOYSA-N 0 0 181.235 1.484 10 0 ADAERN C[C@]1(C=Cc2ccc[nH]2)COC(=O)N1 214133491 571719536 /nfs/dbraw/zinc/71/95/36/571719536.db2.gz VMVULWORZAVWDK-LWTINBJPSA-N 0 0 192.218 1.526 10 0 ADAERN C[C@H]1CCC[C@@H](C)[N@@H+]1[C@@H](C)C(=O)[O-] 11799182 571719585 /nfs/dbraw/zinc/71/95/85/571719585.db2.gz LUEOAIWQEDEWHO-YIZRAAEISA-N 0 0 185.267 1.722 10 0 ADAERN CCO[C@@H](C)c1noc([C@H](C)NC)n1 70648447 571719593 /nfs/dbraw/zinc/71/95/93/571719593.db2.gz PJKAZQPGHWIQFG-BQBZGAKWSA-N 0 0 199.254 1.448 10 0 ADAERN COCC[C@@H](O)CC(C)(C)C 687798572 571719704 /nfs/dbraw/zinc/71/97/04/571719704.db2.gz YLPNZZUPUYZQDA-MRVPVSSYSA-N 0 0 160.257 1.820 10 0 ADAERN CC[C@H](C(O)O)[C@H]1CCCSC1 214122852 571719708 /nfs/dbraw/zinc/71/97/08/571719708.db2.gz JBQNVMXTEFMCIZ-YUMQZZPRSA-N 0 0 190.308 1.467 10 0 ADAERN CC(C)CCOC(=O)c1cc(N)n[nH]1 70647392 571719724 /nfs/dbraw/zinc/71/97/24/571719724.db2.gz PASKEYXOPFFTGR-UHFFFAOYSA-N 0 0 197.238 1.195 10 0 ADAERN O=Cc1ccc2c(c1)NC(=O)NC2 214125022 571719735 /nfs/dbraw/zinc/71/97/35/571719735.db2.gz RYKXBAJNRWVAPD-UHFFFAOYSA-N 0 0 176.175 1.134 10 0 ADAERN CC(C)[C@H](C(O)O)[C@@H]1CCSC1 214122988 571719777 /nfs/dbraw/zinc/71/97/77/571719777.db2.gz XZORBVTZRKLYAH-SFYZADRCSA-N 0 0 190.308 1.322 10 0 ADAERN CC(C)[C@@H](C(O)O)[C@@H]1CCSC1 214123049 571719863 /nfs/dbraw/zinc/71/98/63/571719863.db2.gz XZORBVTZRKLYAH-HTQZYQBOSA-N 0 0 190.308 1.322 10 0 ADAERN CC[C@H](C(O)O)[C@@H]1CCCSC1 214122738 571719865 /nfs/dbraw/zinc/71/98/65/571719865.db2.gz JBQNVMXTEFMCIZ-SFYZADRCSA-N 0 0 190.308 1.467 10 0 ADAERN Cc1cn2nc(C)c(N)c2s1 116668885 571719868 /nfs/dbraw/zinc/71/98/68/571719868.db2.gz NFYHLKNNDKYBFL-UHFFFAOYSA-N 0 0 167.237 1.595 10 0 ADAERN CC(C)n1cc(OC[C@@H](C)O)cn1 162031936 571721606 /nfs/dbraw/zinc/72/16/06/571721606.db2.gz JTLRYDYFMPNSTK-MRVPVSSYSA-N 0 0 184.239 1.224 10 0 ADAERN O=Cc1cccc2c1NC(=O)NC2 214125107 571719928 /nfs/dbraw/zinc/71/99/28/571719928.db2.gz NKGDMWGUZWNJRA-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/72/01/24/571720124.db2.gz PJKAZQPGHWIQFG-RNFRBKRXSA-N 0 0 199.254 1.448 10 0 ADAERN CCNCc1nc([C@H](C)OCC)no1 70648472 571720159 /nfs/dbraw/zinc/72/01/59/571720159.db2.gz WKTIMBLAHYVDHJ-ZETCQYMHSA-N 0 0 199.254 1.277 10 0 ADAERN O=c1ccc2cccc(CO)c2o1 214124702 571720196 /nfs/dbraw/zinc/72/01/96/571720196.db2.gz VDEFUGDYIIDACU-UHFFFAOYSA-N 0 0 176.171 1.285 10 0 ADAERN CC[C@@H](C(O)O)C1CCSCC1 214122652 571720261 /nfs/dbraw/zinc/72/02/61/571720261.db2.gz HARKDJRQGLLYCS-MRVPVSSYSA-N 0 0 190.308 1.467 10 0 ADAERN [NH3+]C1(c2cnc3c(c2)COC3)CC1 214129559 571720230 /nfs/dbraw/zinc/72/02/30/571720230.db2.gz MLBAMCYUZAYFDO-UHFFFAOYSA-N 0 0 176.219 1.060 10 0 ADAERN CCNCc1nc([C@@H](C)OCC)no1 70648471 571720327 /nfs/dbraw/zinc/72/03/27/571720327.db2.gz WKTIMBLAHYVDHJ-SSDOTTSWSA-N 0 0 199.254 1.277 10 0 ADAERN CCO[C@H](C)c1noc([C@H](N)CC)n1 70648438 571722070 /nfs/dbraw/zinc/72/20/70/571722070.db2.gz DMWJFLIMKMALJS-RNFRBKRXSA-N 0 0 199.254 1.577 10 0 ADAERN c1c[nH]c(CNCc2ncc[nH]2)c1 70646343 571720339 /nfs/dbraw/zinc/72/03/39/571720339.db2.gz UWOIZOKSJIQWIG-UHFFFAOYSA-N 0 0 176.223 1.028 10 0 ADAERN C[C@]1(/C=C\c2ccco2)COC(=O)N1 214128740 571720356 /nfs/dbraw/zinc/72/03/56/571720356.db2.gz MTCGCNZSHXTYLW-LWTINBJPSA-N 0 0 193.202 1.791 10 0 ADAERN Nc1nc(Cl)cc([C@H]2CCOC2)n1 116675715 571720386 /nfs/dbraw/zinc/72/03/86/571720386.db2.gz PRJSVTVVCHMHLA-YFKPBYRVSA-N 0 0 199.641 1.216 10 0 ADAERN Nc1nc(NO)nc2ccccc12 116693585 571720401 /nfs/dbraw/zinc/72/04/01/571720401.db2.gz VNKDILNNDHVZCX-UHFFFAOYSA-N 0 0 176.179 1.013 10 0 ADAERN CCO[C@@H](C)c1noc(C(C)(C)N)n1 70648463 571720453 /nfs/dbraw/zinc/72/04/53/571720453.db2.gz SHVLYMHHRQONGT-LURJTMIESA-N 0 0 199.254 1.361 10 0 ADAERN Cc1cc(CNO)cc2cc[nH]c12 214134575 571720459 /nfs/dbraw/zinc/72/04/59/571720459.db2.gz JSSIRIAHFWPAJV-UHFFFAOYSA-N 0 0 176.219 1.955 10 0 ADAERN CCC1(CC)OC(=O)C(=O)C1C 725390810 571720462 /nfs/dbraw/zinc/72/04/62/571720462.db2.gz SJMKECPQZLHKPW-UHFFFAOYSA-N 0 0 170.208 1.934 10 0 ADAERN CCO[C@H](C)c1noc(C(C)(C)N)n1 70648464 571720552 /nfs/dbraw/zinc/72/05/52/571720552.db2.gz SHVLYMHHRQONGT-ZCFIWIBFSA-N 0 0 199.254 1.361 10 0 ADAERN Cc1cc(Cl)cnc1C(=O)[C@@H](C)N 214134954 571720650 /nfs/dbraw/zinc/72/06/50/571720650.db2.gz YMDSLIUKBRAGHL-ZCFIWIBFSA-N 0 0 198.653 1.573 10 0 ADAERN COCC[C@H](C)[C@H](NN)C(C)(F)F 393395106 571720658 /nfs/dbraw/zinc/72/06/58/571720658.db2.gz UMFFMTAORJLRJT-BQBZGAKWSA-N 0 0 196.241 1.146 10 0 ADAERN C[C@H](C(O)O)[C@H]1CCCSCC1 214122454 571720694 /nfs/dbraw/zinc/72/06/94/571720694.db2.gz OEGPREHMYJBFRD-YUMQZZPRSA-N 0 0 190.308 1.467 10 0 ADAERN CC[C@H](C)C[C@H](O)[C@](C)(O)CC 139563939 571720763 /nfs/dbraw/zinc/72/07/63/571720763.db2.gz WUAAKLWULNPKCB-LPEHRKFASA-N 0 0 174.284 1.945 10 0 ADAERN CC(=O)N1CCC[C@H](C(=O)C2CC2)C1 214151601 571722272 /nfs/dbraw/zinc/72/22/72/571722272.db2.gz DAYKIHZIOZSZBA-JTQLQIEISA-N 0 0 195.262 1.224 10 0 ADAERN O=C1C[C@@H](C(=O)C2CCCC2)CCN1 214149900 571722273 /nfs/dbraw/zinc/72/22/73/571722273.db2.gz 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1.430 10 0 ADAERN COC[C@@H](C)C(=O)c1ccncc1 69904312 571727860 /nfs/dbraw/zinc/72/78/60/571727860.db2.gz GBYFYRJUIFTJHE-MRVPVSSYSA-N 0 0 179.219 1.547 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1ccc(C)o1 69903544 571727937 /nfs/dbraw/zinc/72/79/37/571727937.db2.gz QAXXDCWNXCHHFZ-GMSGAONNSA-N 0 0 184.235 1.904 10 0 ADAERN OCC1=CC[C@H]2CCC[C@@H]12 24282691 571727974 /nfs/dbraw/zinc/72/79/74/571727974.db2.gz CGOIPZURDNESMI-VXNVDRBHSA-N 0 0 138.210 1.725 10 0 ADAERN CCO[C@@H](C)c1ncc(C=O)cn1 70833233 571730164 /nfs/dbraw/zinc/73/01/64/571730164.db2.gz HBBPGIZTYYFVDB-ZETCQYMHSA-N 0 0 180.207 1.387 10 0 ADAERN COC[C@H](C)[C@H](O)c1ccncc1 69903574 571727979 /nfs/dbraw/zinc/72/79/79/571727979.db2.gz RGPLFEQGIFLIIY-WPRPVWTQSA-N 0 0 181.235 1.398 10 0 ADAERN CC(=O)c1cnnn1CCC(C)(C)F 214167654 571727985 /nfs/dbraw/zinc/72/79/85/571727985.db2.gz UKWRFBKGOIZPGV-UHFFFAOYSA-N 0 0 199.229 1.619 10 0 ADAERN C1=C2OCCO[C@@H]2CCC1 24186622 571728008 /nfs/dbraw/zinc/72/80/08/571728008.db2.gz LWQQVSGUKKEAPU-MRVPVSSYSA-N 0 0 140.182 1.470 10 0 ADAERN COC[C@@H](C)C(=O)C[C@H]1CCCO1 69904333 571728017 /nfs/dbraw/zinc/72/80/17/571728017.db2.gz CJZGZLKLJDEKJQ-RKDXNWHRSA-N 0 0 186.251 1.407 10 0 ADAERN O=C(COCCCO)c1ccccc1 214173690 571728022 /nfs/dbraw/zinc/72/80/22/571728022.db2.gz MNCPFNZQHKNVES-UHFFFAOYSA-N 0 0 194.230 1.268 10 0 ADAERN COC[C@@H](C)[C@H](O)c1ccc(C)o1 69903545 571728029 /nfs/dbraw/zinc/72/80/29/571728029.db2.gz QAXXDCWNXCHHFZ-XCBNKYQSSA-N 0 0 184.235 1.904 10 0 ADAERN COC[C@H](C)C(=O)c1ccncc1 69904310 571728032 /nfs/dbraw/zinc/72/80/32/571728032.db2.gz GBYFYRJUIFTJHE-QMMMGPOBSA-N 0 0 179.219 1.547 10 0 ADAERN C[C@@]12CCCC[C@]1(CO)O2 38995558 571728033 /nfs/dbraw/zinc/72/80/33/571728033.db2.gz REDGPPRVSGZTAF-HTQZYQBOSA-N 0 0 142.198 1.080 10 0 ADAERN CC(C)C[C@H]1CC[NH2+]C[C@H]1CC(=O)[O-] 214186575 571730293 /nfs/dbraw/zinc/73/02/93/571730293.db2.gz RNFGHCCKRMUXGL-NXEZZACHSA-N 0 0 199.294 1.733 10 0 ADAERN CC(C)OC(=O)c1ccc(=S)[nH]c1 38995401 571728127 /nfs/dbraw/zinc/72/81/27/571728127.db2.gz KJTRIOUSZDNLBK-UHFFFAOYSA-N 0 0 197.259 1.936 10 0 ADAERN COC[C@H](C)C(=O)Cc1ccncc1 69904439 571728128 /nfs/dbraw/zinc/72/81/28/571728128.db2.gz GQPQFKKCIWERQG-VIFPVBQESA-N 0 0 193.246 1.476 10 0 ADAERN COC[C@H](C)[C@H](O)c1ccc(C)o1 69903543 571728137 /nfs/dbraw/zinc/72/81/37/571728137.db2.gz QAXXDCWNXCHHFZ-XVKPBYJWSA-N 0 0 184.235 1.904 10 0 ADAERN CCC(=O)N[C@H](C)c1cccc(N)c1 37177518 571728143 /nfs/dbraw/zinc/72/81/43/571728143.db2.gz UMSWSPNBURSFGG-MRVPVSSYSA-N 0 0 192.262 1.856 10 0 ADAERN COC[C@@H](C)C(=O)Cc1ccncc1 69904440 571728146 /nfs/dbraw/zinc/72/81/46/571728146.db2.gz GQPQFKKCIWERQG-SECBINFHSA-N 0 0 193.246 1.476 10 0 ADAERN COC[C@H](C)[C@@H](O)c1ncccc1C 69904649 571728173 /nfs/dbraw/zinc/72/81/73/571728173.db2.gz KOCOUGPDQWBTSX-GXSJLCMTSA-N 0 0 195.262 1.706 10 0 ADAERN CCO[C@H](C)O[C@@H](C)[C@H](CC)CO 140108541 571728178 /nfs/dbraw/zinc/72/81/78/571728178.db2.gz WEGSYOFHLITQLD-LPEHRKFASA-N 0 0 190.283 1.793 10 0 ADAERN COC[C@H](C)[C@@H](O)C[C@@H]1CCCO1 69904543 571728220 /nfs/dbraw/zinc/72/82/20/571728220.db2.gz YWOVCMBCQPIJOM-GUBZILKMSA-N 0 0 188.267 1.199 10 0 ADAERN COC(=O)N1CC[C@H]1C(=O)C1CCC1 214186860 571730669 /nfs/dbraw/zinc/73/06/69/571730669.db2.gz GZUFAQQVUKVYNJ-QMMMGPOBSA-N 0 0 197.234 1.196 10 0 ADAERN COC[C@H](C)C(=O)c1ccco1 69904445 571728294 /nfs/dbraw/zinc/72/82/94/571728294.db2.gz KSXNYKXPXCNOKE-ZETCQYMHSA-N 0 0 168.192 1.745 10 0 ADAERN COC[C@H](C)[C@@H](O)c1ccc(C)o1 69903541 571728300 /nfs/dbraw/zinc/72/83/00/571728300.db2.gz QAXXDCWNXCHHFZ-OIBJUYFYSA-N 0 0 184.235 1.904 10 0 ADAERN CCCC[C@H](O)/C=C\C(=O)OC 214179806 571728238 /nfs/dbraw/zinc/72/82/38/571728238.db2.gz LAPSNADHLPLCDF-UAPHAKCISA-N 0 0 172.224 1.267 10 0 ADAERN CC[C@@H](C)C(=O)[C@@H](C)COC 69904506 571728374 /nfs/dbraw/zinc/72/83/74/571728374.db2.gz MMRHHBIFJWNHMQ-SFYZADRCSA-N 0 0 158.241 1.884 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1cc(C)ccn1 69904805 571728411 /nfs/dbraw/zinc/72/84/11/571728411.db2.gz JYBAWWIBRWBHJH-MWLCHTKSSA-N 0 0 195.262 1.706 10 0 ADAERN CCCC[C@H](CC)[C@H]1CC(=O)NC1=O 70676425 571731318 /nfs/dbraw/zinc/73/13/18/571731318.db2.gz FHBIHCPJMXVYAQ-DTWKUNHWSA-N 0 0 197.278 1.866 10 0 ADAERN CCC[C@H](O)Cn1nccc1C 70686245 571731300 /nfs/dbraw/zinc/73/13/00/571731300.db2.gz IKUKWGCCQKHCES-VIFPVBQESA-N 0 0 168.240 1.353 10 0 ADAERN COC[C@H](C)C(=O)CC(F)(F)F 69904380 571728471 /nfs/dbraw/zinc/72/84/71/571728471.db2.gz GXUTTZZMHSMIGG-YFKPBYRVSA-N 0 0 184.157 1.790 10 0 ADAERN c1cc2ccnnc2cn1 24190915 571728477 /nfs/dbraw/zinc/72/84/77/571728477.db2.gz DVXYZLCJSYRIPC-UHFFFAOYSA-N 0 0 131.138 1.025 10 0 ADAERN C1=C2OCCO[C@H]2CCC1 24186624 571728480 /nfs/dbraw/zinc/72/84/80/571728480.db2.gz LWQQVSGUKKEAPU-QMMMGPOBSA-N 0 0 140.182 1.470 10 0 ADAERN COC[C@@H](C)C(C)(C)O 69903332 571728484 /nfs/dbraw/zinc/72/84/84/571728484.db2.gz DCBRATAIRRFFOT-ZCFIWIBFSA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@H](C)[C@H](O)c1cccc(C)n1 69904798 571728509 /nfs/dbraw/zinc/72/85/09/571728509.db2.gz BCYNTACMQJYULK-KWQFWETISA-N 0 0 195.262 1.706 10 0 ADAERN OC1(c2ccnn2CC2CC2)CC1 214186278 571731325 /nfs/dbraw/zinc/73/13/25/571731325.db2.gz MYUHOEBIMPQULM-UHFFFAOYSA-N 0 0 178.235 1.275 10 0 ADAERN COC[C@H](C)C(=O)c1ccccn1 69904305 571728544 /nfs/dbraw/zinc/72/85/44/571728544.db2.gz UHSCMEZMVBPYHO-QMMMGPOBSA-N 0 0 179.219 1.547 10 0 ADAERN OC[C@@H]1CC[C@@H]2CCC[C@H]21 24255172 571728552 /nfs/dbraw/zinc/72/85/52/571728552.db2.gz CDHPUYJNAFHHLJ-XHNCKOQMSA-N 0 0 140.226 1.805 10 0 ADAERN COC[C@@H](C)[C@H](O)c1cccc(C)n1 69904801 571728585 /nfs/dbraw/zinc/72/85/85/571728585.db2.gz BCYNTACMQJYULK-KCJUWKMLSA-N 0 0 195.262 1.706 10 0 ADAERN COC[C@@H](C)[C@H](O)c1ccccn1 69903627 571728603 /nfs/dbraw/zinc/72/86/03/571728603.db2.gz OQMPABVVUNCPOL-SCZZXKLOSA-N 0 0 181.235 1.398 10 0 ADAERN COC[C@H](C)C(=O)c1ncccc1C 69904406 571728626 /nfs/dbraw/zinc/72/86/26/571728626.db2.gz WXIRJTFVXRRQNY-VIFPVBQESA-N 0 0 193.246 1.855 10 0 ADAERN COC[C@H](C)[C@H](O)c1ccccn1 69903626 571728639 /nfs/dbraw/zinc/72/86/39/571728639.db2.gz OQMPABVVUNCPOL-WPRPVWTQSA-N 0 0 181.235 1.398 10 0 ADAERN COC[C@H](C)C(=O)CSC 69904448 571728647 /nfs/dbraw/zinc/72/86/47/571728647.db2.gz JTIXYTPRPPPSFO-LURJTMIESA-N 0 0 162.254 1.201 10 0 ADAERN COC[C@H](C)C(=O)Cc1ccccn1 69904338 571728650 /nfs/dbraw/zinc/72/86/50/571728650.db2.gz UARQQLVZURLCJP-VIFPVBQESA-N 0 0 193.246 1.476 10 0 ADAERN COC[C@H](C)C(=O)c1cccnc1 69904308 571728666 /nfs/dbraw/zinc/72/86/66/571728666.db2.gz FQRAEXKEGXAPCK-QMMMGPOBSA-N 0 0 179.219 1.547 10 0 ADAERN CC[C@H](C)[C@@H](NN)C1=CCCO1 168569963 571728701 /nfs/dbraw/zinc/72/87/01/571728701.db2.gz JPEBCAQJPNPPLL-IONNQARKSA-N 0 0 170.256 1.169 10 0 ADAERN COC[C@@H](C)[C@H](O)CC(F)(F)F 69904596 571728718 /nfs/dbraw/zinc/72/87/18/571728718.db2.gz NVAGABQSBYWQHF-PHDIDXHHSA-N 0 0 186.173 1.582 10 0 ADAERN O=Cc1cccc2c1COC(=O)O2 214171955 571728721 /nfs/dbraw/zinc/72/87/21/571728721.db2.gz JXUVMIKYCZDJAI-UHFFFAOYSA-N 0 0 178.143 1.528 10 0 ADAERN COC[C@H](C)C(=O)c1cc(C)ccn1 69904512 571728724 /nfs/dbraw/zinc/72/87/24/571728724.db2.gz BYIGZBSQJBRIHK-VIFPVBQESA-N 0 0 193.246 1.855 10 0 ADAERN COC[C@H](C)[C@@H](O)c1ccccn1 69903628 571728730 /nfs/dbraw/zinc/72/87/30/571728730.db2.gz OQMPABVVUNCPOL-WCBMZHEXSA-N 0 0 181.235 1.398 10 0 ADAERN CC/C=C\[C@H](O)CC 140175207 571728736 /nfs/dbraw/zinc/72/87/36/571728736.db2.gz VOGZQUBNQCQGNN-KXTMECRCSA-N 0 0 114.188 1.724 10 0 ADAERN COC[C@H](C)C(=O)C[C@@H]1CCCO1 69904329 571728739 /nfs/dbraw/zinc/72/87/39/571728739.db2.gz CJZGZLKLJDEKJQ-IUCAKERBSA-N 0 0 186.251 1.407 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1ncccc1C 69904651 571728747 /nfs/dbraw/zinc/72/87/47/571728747.db2.gz KOCOUGPDQWBTSX-MWLCHTKSSA-N 0 0 195.262 1.706 10 0 ADAERN c1cc2c(cn1)OCCC2 24190202 571728749 /nfs/dbraw/zinc/72/87/49/571728749.db2.gz ASXVXRVWNRAECB-UHFFFAOYSA-N 0 0 135.166 1.407 10 0 ADAERN COC[C@H](C)[C@@H](O)c1cccc(C)n1 69904796 571728752 /nfs/dbraw/zinc/72/87/52/571728752.db2.gz BCYNTACMQJYULK-GZMMTYOYSA-N 0 0 195.262 1.706 10 0 ADAERN COC[C@H](C)[C@H](O)[C@@H]1CCCOC1 69903928 571728760 /nfs/dbraw/zinc/72/87/60/571728760.db2.gz CHPIQXHBOATDKY-AEJSXWLSSA-N 0 0 188.267 1.056 10 0 ADAERN CN(O)Cc1ccc2conc2c1 214178104 571728770 /nfs/dbraw/zinc/72/87/70/571728770.db2.gz ZNIMCHPGXGBITH-UHFFFAOYSA-N 0 0 178.191 1.649 10 0 ADAERN COC[C@@H](C)[C@H](O)c1cc(C)ccn1 69904806 571728777 /nfs/dbraw/zinc/72/87/77/571728777.db2.gz JYBAWWIBRWBHJH-KOLCDFICSA-N 0 0 195.262 1.706 10 0 ADAERN CN1C[C@H]([C@@H](O)C2CCCC2)CC1=O 214188754 571731332 /nfs/dbraw/zinc/73/13/32/571731332.db2.gz MLGQVWAQTGRGOX-KOLCDFICSA-N 0 0 197.278 1.016 10 0 ADAERN COC[C@@H](C)C(=O)C[C@@H]1CCCO1 69904330 571728817 /nfs/dbraw/zinc/72/88/17/571728817.db2.gz CJZGZLKLJDEKJQ-BDAKNGLRSA-N 0 0 186.251 1.407 10 0 ADAERN COC[C@@H](C)C(=O)c1ccco1 69904446 571728844 /nfs/dbraw/zinc/72/88/44/571728844.db2.gz KSXNYKXPXCNOKE-SSDOTTSWSA-N 0 0 168.192 1.745 10 0 ADAERN O=Cc1cccc2c1OC(=O)OC2 214171863 571728852 /nfs/dbraw/zinc/72/88/52/571728852.db2.gz YPQGBWOEZWHYGT-UHFFFAOYSA-N 0 0 178.143 1.528 10 0 ADAERN COC[C@H](C)C(=O)c1cccc(C)n1 69904499 571728872 /nfs/dbraw/zinc/72/88/72/571728872.db2.gz SCXQESCPDNODPK-QMMMGPOBSA-N 0 0 193.246 1.855 10 0 ADAERN COC[C@H](C)C(=O)Cc1cccnc1 69904437 571728883 /nfs/dbraw/zinc/72/88/83/571728883.db2.gz LOLADYGVUMPEHZ-VIFPVBQESA-N 0 0 193.246 1.476 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1cccc(C)n1 69904799 571728908 /nfs/dbraw/zinc/72/89/08/571728908.db2.gz BCYNTACMQJYULK-LDYMZIIASA-N 0 0 195.262 1.706 10 0 ADAERN COC[C@@H](C)C(=O)CC(C)C 69904335 571728935 /nfs/dbraw/zinc/72/89/35/571728935.db2.gz ABLYVGRIHOXNGJ-MRVPVSSYSA-N 0 0 158.241 1.884 10 0 ADAERN Cc1ccc(SCC(N)=O)c(N)c1 37193250 571728939 /nfs/dbraw/zinc/72/89/39/571728939.db2.gz HFYFPFNVDQWTNY-UHFFFAOYSA-N 0 0 196.275 1.155 10 0 ADAERN COC[C@@H](C)C(=O)Cc1cccnc1 69904438 571728966 /nfs/dbraw/zinc/72/89/66/571728966.db2.gz LOLADYGVUMPEHZ-SECBINFHSA-N 0 0 193.246 1.476 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1ccncc1 69903578 571728983 /nfs/dbraw/zinc/72/89/83/571728983.db2.gz RGPLFEQGIFLIIY-PSASIEDQSA-N 0 0 181.235 1.398 10 0 ADAERN Cc1nc(C)n2c1C=CC2=O 39017228 571729003 /nfs/dbraw/zinc/72/90/03/571729003.db2.gz LWBGDZHPJZHCSE-UHFFFAOYSA-N 0 0 148.165 1.167 10 0 ADAERN C[C@H]1CCCC[C@H]1[C@@H]1CC(=O)NC1=O 70676220 571731336 /nfs/dbraw/zinc/73/13/36/571731336.db2.gz VXDYDBZMIBDXOU-YIZRAAEISA-N 0 0 195.262 1.475 10 0 ADAERN CC(=O)N1CC[C@H]1[C@H](CCO)C1CC1 214192838 571731337 /nfs/dbraw/zinc/73/13/37/571731337.db2.gz KAGSXLZYYHEMDR-MNOVXSKESA-N 0 0 197.278 1.016 10 0 ADAERN CCOC(Cn1ccc(C)n1)OCC 70685637 571729076 /nfs/dbraw/zinc/72/90/76/571729076.db2.gz VMUOPYNCTRISCN-UHFFFAOYSA-N 0 0 198.266 1.591 10 0 ADAERN COC[C@@H](C)C(=O)c1ncccc1C 69904407 571729080 /nfs/dbraw/zinc/72/90/80/571729080.db2.gz WXIRJTFVXRRQNY-SECBINFHSA-N 0 0 193.246 1.855 10 0 ADAERN Cc1cc(N)ccc1SCC(N)=O 37193904 571729115 /nfs/dbraw/zinc/72/91/15/571729115.db2.gz JQCNYKXKEQZWRR-UHFFFAOYSA-N 0 0 196.275 1.155 10 0 ADAERN CCO[C@H](C)c1noc([C@H](C)O)n1 70833657 571729120 /nfs/dbraw/zinc/72/91/20/571729120.db2.gz IPZCXUCAGIPOLA-NTSWFWBYSA-N 0 0 186.211 1.220 10 0 ADAERN c1cnc2nnccc2c1 24190938 571729132 /nfs/dbraw/zinc/72/91/32/571729132.db2.gz BEJXOECDIXUTLN-UHFFFAOYSA-N 0 0 131.138 1.025 10 0 ADAERN COC[C@@H](C)C(=O)c1cc(C)ccn1 69904513 571729137 /nfs/dbraw/zinc/72/91/37/571729137.db2.gz BYIGZBSQJBRIHK-SECBINFHSA-N 0 0 193.246 1.855 10 0 ADAERN O=C([O-])[C@@H](C1CCCC1)[C@H]1CC[NH2+]C1 214195304 571731414 /nfs/dbraw/zinc/73/14/14/571731414.db2.gz GYJLRTGUCZIUPY-UWVGGRQHSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1ccnn1CCC(=O)NC(C)C 70688339 571729144 /nfs/dbraw/zinc/72/91/44/571729144.db2.gz OVMWGRJFIRYZOQ-UHFFFAOYSA-N 0 0 195.266 1.106 10 0 ADAERN C1=NC2=NCCC[C@@H]2CC1 24187422 571729163 /nfs/dbraw/zinc/72/91/63/571729163.db2.gz ASNMOACZTSDMOX-ZETCQYMHSA-N 0 0 136.198 1.660 10 0 ADAERN CCC[C@H](C)O[C@@H](CC)C(N)=O 687798737 571729172 /nfs/dbraw/zinc/72/91/72/571729172.db2.gz IDYRMQVIWSOEJL-YUMQZZPRSA-N 0 0 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/nfs/dbraw/zinc/72/99/46/571729946.db2.gz MRSGOWUEEXZDGE-QWRGUYRKSA-N 0 0 197.278 1.016 10 0 ADAERN O=C1C[C@@H]([C@H](O)C2CCCCC2)CN1 214188439 571730026 /nfs/dbraw/zinc/73/00/26/571730026.db2.gz TXVSPEPZWYQPHX-MWLCHTKSSA-N 0 0 197.278 1.064 10 0 ADAERN CCO[C@H](C)c1nc(C)cc(CO)n1 70833277 571730033 /nfs/dbraw/zinc/73/00/33/571730033.db2.gz JVANGUFLIUAGFN-MRVPVSSYSA-N 0 0 196.250 1.375 10 0 ADAERN O=C([O-])[C@@H](C1CCC1)[C@@H]1CCC[NH2+]C1 214194201 571730046 /nfs/dbraw/zinc/73/00/46/571730046.db2.gz JSOLPUUOOFCFNW-ZJUUUORDSA-N 0 0 197.278 1.487 10 0 ADAERN O=C1C[C@H]([C@@H](O)C2CCCCC2)CN1 214188495 571730047 /nfs/dbraw/zinc/73/00/47/571730047.db2.gz TXVSPEPZWYQPHX-ONGXEEELSA-N 0 0 197.278 1.064 10 0 ADAERN CCO[C@H](C)c1nc(C=O)c[nH]1 70833790 571730065 /nfs/dbraw/zinc/73/00/65/571730065.db2.gz USBVNAGQPRXALU-ZCFIWIBFSA-N 0 0 168.196 1.320 10 0 ADAERN COC(=O)N1CCC[C@H]1C(=O)C1CC1 214186572 571730068 /nfs/dbraw/zinc/73/00/68/571730068.db2.gz LVONCANORNIMLZ-QMMMGPOBSA-N 0 0 197.234 1.196 10 0 ADAERN CC(C)[C@H]1CC[NH2+]CC[C@@H]1CC(=O)[O-] 214186970 571730073 /nfs/dbraw/zinc/73/00/73/571730073.db2.gz CLHJWYWCJMMAAU-NXEZZACHSA-N 0 0 199.294 1.733 10 0 ADAERN CN1C[C@H]([C@H](O)C2CCCC2)CC1=O 214188627 571730083 /nfs/dbraw/zinc/73/00/83/571730083.db2.gz MLGQVWAQTGRGOX-MWLCHTKSSA-N 0 0 197.278 1.016 10 0 ADAERN CO[C@H](C(C)=O)c1nc(C)cs1 687798708 571730086 /nfs/dbraw/zinc/73/00/86/571730086.db2.gz IUYSHRPYGYNFJP-SSDOTTSWSA-N 0 0 185.248 1.728 10 0 ADAERN CC[N@@H+]1CCCC[C@@H](CCC(=O)[O-])C1 214185634 571730095 /nfs/dbraw/zinc/73/00/95/571730095.db2.gz GZAMPRZSPILREL-JTQLQIEISA-N 0 0 199.294 1.973 10 0 ADAERN CC(=O)N1CCC[C@@H]([C@@H](O)C2CC2)C1 214198529 571730112 /nfs/dbraw/zinc/73/01/12/571730112.db2.gz CBDLTVUDPRLOBS-MNOVXSKESA-N 0 0 197.278 1.016 10 0 ADAERN CN1C(=O)CC[C@H]1[C@@H](O)C1CCCC1 214187823 571730116 /nfs/dbraw/zinc/73/01/16/571730116.db2.gz CKRTUNHXTGTZNM-ONGXEEELSA-N 0 0 197.278 1.158 10 0 ADAERN Cc1cc(C2(O)CC2)c(C)cc1O 214184538 571731302 /nfs/dbraw/zinc/73/13/02/571731302.db2.gz GEAHGCWVDMOGRU-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN CN1C(=O)CC[C@@H]1[C@H](O)C1CCCC1 214187769 571730133 /nfs/dbraw/zinc/73/01/33/571730133.db2.gz CKRTUNHXTGTZNM-MWLCHTKSSA-N 0 0 197.278 1.158 10 0 ADAERN CC(=O)N1CC[C@H]1[C@@H](O)C1CCCC1 214192333 571730141 /nfs/dbraw/zinc/73/01/41/571730141.db2.gz BLAJEYJOVSQUIV-QWRGUYRKSA-N 0 0 197.278 1.158 10 0 ADAERN C[N@@H+]1CCC[C@@H]1[C@H](C(=O)[O-])C1CCC1 214197234 571731304 /nfs/dbraw/zinc/73/13/04/571731304.db2.gz AUWOAFTYVOSANJ-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(=O)N1CC[C@@H]1[C@H](O)C1CCCC1 214192166 571730146 /nfs/dbraw/zinc/73/01/46/571730146.db2.gz BLAJEYJOVSQUIV-GHMZBOCLSA-N 0 0 197.278 1.158 10 0 ADAERN CCC[C@H](O)Cn1ccc(C)n1 70686105 571730151 /nfs/dbraw/zinc/73/01/51/571730151.db2.gz OUEUCCYJWLLYLT-VIFPVBQESA-N 0 0 168.240 1.353 10 0 ADAERN Cc1cc(CO)cc2c1O[C@H](C)C2 214184855 571730154 /nfs/dbraw/zinc/73/01/54/571730154.db2.gz GRTHSGPDIMWDGM-MRVPVSSYSA-N 0 0 178.231 1.811 10 0 ADAERN CCC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 214196089 571730167 /nfs/dbraw/zinc/73/01/67/571730167.db2.gz NCSGTZXCNDTHRX-SECBINFHSA-N 0 0 197.278 1.470 10 0 ADAERN CCCOCCN1CCCSC1 687798753 571730180 /nfs/dbraw/zinc/73/01/80/571730180.db2.gz YSZPHKDYQXGVSM-UHFFFAOYSA-N 0 0 189.324 1.809 10 0 ADAERN CC(=O)N1CCC[C@H]1[C@@H](CO)C1CC1 214191968 571730181 /nfs/dbraw/zinc/73/01/81/571730181.db2.gz XOZGFEQLRAUVER-QWRGUYRKSA-N 0 0 197.278 1.016 10 0 ADAERN C[N@@H+]1CCC[C@H]1[C@H](C(=O)[O-])C1CCC1 214197288 571730188 /nfs/dbraw/zinc/73/01/88/571730188.db2.gz AUWOAFTYVOSANJ-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN COc1cc(CC(C)=O)c(Cl)cn1 214194971 571730197 /nfs/dbraw/zinc/73/01/97/571730197.db2.gz BOFGDOCOYOJEGH-UHFFFAOYSA-N 0 0 199.637 1.875 10 0 ADAERN CC(=O)N1CC([C@@H](O)C2CCCC2)C1 214199172 571730202 /nfs/dbraw/zinc/73/02/02/571730202.db2.gz NHGKGUWIEFYKDR-NSHDSACASA-N 0 0 197.278 1.016 10 0 ADAERN COC(=O)N1CC[C@H](C(=O)C2CC2)C1 214187206 571730209 /nfs/dbraw/zinc/73/02/09/571730209.db2.gz QEFYHEZGWUDCAD-QMMMGPOBSA-N 0 0 197.234 1.054 10 0 ADAERN CCC[C@@H](O)Cn1ccc(C)n1 70686108 571730214 /nfs/dbraw/zinc/73/02/14/571730214.db2.gz OUEUCCYJWLLYLT-SECBINFHSA-N 0 0 168.240 1.353 10 0 ADAERN COC(=O)N1CCC[C@@H]1C(=O)C1CC1 214186508 571730220 /nfs/dbraw/zinc/73/02/20/571730220.db2.gz LVONCANORNIMLZ-MRVPVSSYSA-N 0 0 197.234 1.196 10 0 ADAERN CO[C@@H](C)CN1C(=O)CC1(C)C 687798726 571730226 /nfs/dbraw/zinc/73/02/26/571730226.db2.gz DIVDNCJBFXHJMF-ZETCQYMHSA-N 0 0 171.240 1.032 10 0 ADAERN CCO[C@@H](C)c1nccc(C=O)n1 70833221 571730235 /nfs/dbraw/zinc/73/02/35/571730235.db2.gz GKBJJTOAKJIFQF-ZETCQYMHSA-N 0 0 180.207 1.387 10 0 ADAERN O=C([O-])[C@H](C1CCCCC1)C1C[NH2+]C1 214195871 571730237 /nfs/dbraw/zinc/73/02/37/571730237.db2.gz YLPGNXWPRNQOKI-SNVBAGLBSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1ccnn1CCOC(C)C 70688376 571730238 /nfs/dbraw/zinc/73/02/38/571730238.db2.gz TUJSAEBGKCHPFH-UHFFFAOYSA-N 0 0 168.240 1.617 10 0 ADAERN CC(=O)N1CC[C@@H]1[C@H](CO)C1CCC1 214192531 571730245 /nfs/dbraw/zinc/73/02/45/571730245.db2.gz OEINJMHHVFBKHA-GHMZBOCLSA-N 0 0 197.278 1.016 10 0 ADAERN CCCCN[S@@](=O)CC 140341800 571730250 /nfs/dbraw/zinc/73/02/50/571730250.db2.gz DXZBYFSOTAJPRI-SECBINFHSA-N 0 0 149.259 1.060 10 0 ADAERN O=C1NCC[C@H]1[C@H](O)C1CCCCC1 214189212 571730253 /nfs/dbraw/zinc/73/02/53/571730253.db2.gz CSEFJEZUGRCRFN-VHSXEESVSA-N 0 0 197.278 1.064 10 0 ADAERN C[NH+]1CC([C@@H](CC(=O)[O-])C2CCC2)C1 214199379 571730254 /nfs/dbraw/zinc/73/02/54/571730254.db2.gz KPKBAPKASJTGHH-JTQLQIEISA-N 0 0 197.278 1.439 10 0 ADAERN C[N@@H+]1CC[C@H]([C@H](C(=O)[O-])C2CCC2)C1 214197092 571730259 /nfs/dbraw/zinc/73/02/59/571730259.db2.gz OHXLUDPCDAMKMG-VHSXEESVSA-N 0 0 197.278 1.439 10 0 ADAERN CCO[C@H](C)c1nccc(C=O)n1 70833224 571730266 /nfs/dbraw/zinc/73/02/66/571730266.db2.gz GKBJJTOAKJIFQF-SSDOTTSWSA-N 0 0 180.207 1.387 10 0 ADAERN OC[C@H]1CCCn2cccc21 39017245 571730282 /nfs/dbraw/zinc/73/02/82/571730282.db2.gz PMVOVUZLKIKWDX-MRVPVSSYSA-N 0 0 151.209 1.358 10 0 ADAERN CC(=O)N1CCC[C@@H](C(=O)C(C)C)C1 214198612 571730311 /nfs/dbraw/zinc/73/03/11/571730311.db2.gz RQKUHLKXJYWOPP-SNVBAGLBSA-N 0 0 197.278 1.470 10 0 ADAERN O=C1C[C@H]([C@H](O)C2CCCCC2)CN1 214188548 571730315 /nfs/dbraw/zinc/73/03/15/571730315.db2.gz TXVSPEPZWYQPHX-GXSJLCMTSA-N 0 0 197.278 1.064 10 0 ADAERN CC[C@@H](C)[C@H](C)[C@@H]1CC(=O)NC1=O 70676207 571730316 /nfs/dbraw/zinc/73/03/16/571730316.db2.gz KAJSDBSVFGCTQO-CSMHCCOUSA-N 0 0 183.251 1.331 10 0 ADAERN CCC(=O)[C@@H]1CCCN(C(C)=O)CC1 214198095 571730319 /nfs/dbraw/zinc/73/03/19/571730319.db2.gz DJWWAXTZWMWCDO-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN CC(C)N1C[C@@H]([C@H](O)C2CC2)CC1=O 214188957 571730322 /nfs/dbraw/zinc/73/03/22/571730322.db2.gz ZXNMDMMLNMVQBR-GXSJLCMTSA-N 0 0 197.278 1.014 10 0 ADAERN CC(=O)CCCn1ccc(C)n1 70685595 571730327 /nfs/dbraw/zinc/73/03/27/571730327.db2.gz RVPZKBFNEFEWAM-UHFFFAOYSA-N 0 0 166.224 1.561 10 0 ADAERN CC(C)N1C(=O)CC[C@H]1[C@@H](O)C1CC1 214188082 571731310 /nfs/dbraw/zinc/73/13/10/571731310.db2.gz GZEKLTKINAJBGH-ONGXEEELSA-N 0 0 197.278 1.157 10 0 ADAERN CCO[C@@H](C)c1nc(C)cc(C=O)n1 70833225 571730338 /nfs/dbraw/zinc/73/03/38/571730338.db2.gz SKYBASXYTOHQTB-QMMMGPOBSA-N 0 0 194.234 1.695 10 0 ADAERN CC[C@](O)(COC)[C@@H](C)COC 70657259 571730343 /nfs/dbraw/zinc/73/03/43/571730343.db2.gz INLZKJDSYQLMEC-IUCAKERBSA-N 0 0 176.256 1.056 10 0 ADAERN O=C([O-])[C@H](C1CCC1)[C@@H]1CCC[NH2+]C1 214194258 571730344 /nfs/dbraw/zinc/73/03/44/571730344.db2.gz JSOLPUUOOFCFNW-NXEZZACHSA-N 0 0 197.278 1.487 10 0 ADAERN CCO[C@H](C)c1nc(C(=O)OC)c[nH]1 70833181 571731311 /nfs/dbraw/zinc/73/13/11/571731311.db2.gz YQVBMVCDVWMPIU-ZCFIWIBFSA-N 0 0 198.222 1.294 10 0 ADAERN CC(=O)N1CCCC[C@@H]1[C@@H](O)C1CC1 214191518 571730359 /nfs/dbraw/zinc/73/03/59/571730359.db2.gz CZEXPYGPORHKQX-MNOVXSKESA-N 0 0 197.278 1.158 10 0 ADAERN CCCC(CCC)=C1CC(=O)NC1=O 70675593 571730371 /nfs/dbraw/zinc/73/03/71/571730371.db2.gz GLPPWLLOPPRABO-UHFFFAOYSA-N 0 0 195.262 1.930 10 0 ADAERN O=Cc1occ2c1CCC2 24401730 571730378 /nfs/dbraw/zinc/73/03/78/571730378.db2.gz XUCKVTFJLZLBKA-UHFFFAOYSA-N 0 0 136.150 1.581 10 0 ADAERN CC(C)[C@@H]1CC[NH2+]CC[C@@H]1CC(=O)[O-] 214186914 571730395 /nfs/dbraw/zinc/73/03/95/571730395.db2.gz CLHJWYWCJMMAAU-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN CCO[C@H](C)c1noc(CC(C)=O)n1 70833452 571730397 /nfs/dbraw/zinc/73/03/97/571730397.db2.gz JJNGCOARWFHPBU-SSDOTTSWSA-N 0 0 198.222 1.299 10 0 ADAERN CCO[C@H](C)c1ncc(C=O)cn1 70833236 571730417 /nfs/dbraw/zinc/73/04/17/571730417.db2.gz HBBPGIZTYYFVDB-SSDOTTSWSA-N 0 0 180.207 1.387 10 0 ADAERN Cc1nc[nH]c1CN1CCSC1 687798715 571730428 /nfs/dbraw/zinc/73/04/28/571730428.db2.gz NEEQYXHBXMRGOE-UHFFFAOYSA-N 0 0 183.280 1.224 10 0 ADAERN O=C([O-])[C@H](C1CCCC1)[C@@H]1CC[NH2+]C1 214195249 571730443 /nfs/dbraw/zinc/73/04/43/571730443.db2.gz GYJLRTGUCZIUPY-NXEZZACHSA-N 0 0 197.278 1.487 10 0 ADAERN CC(C)CC[C@@H](C)[C@@H]1CC(=O)NC1=O 70676223 571730450 /nfs/dbraw/zinc/73/04/50/571730450.db2.gz NXXPFIOMWWPONB-BDAKNGLRSA-N 0 0 197.278 1.721 10 0 ADAERN COc1cc(CC(C)=O)ncc1Cl 214195537 571730451 /nfs/dbraw/zinc/73/04/51/571730451.db2.gz DEGDSKKWUYPRAT-UHFFFAOYSA-N 0 0 199.637 1.875 10 0 ADAERN CCC(=O)[C@H]1CC(=O)N(CC(C)C)C1 214196147 571730473 /nfs/dbraw/zinc/73/04/73/571730473.db2.gz NCSGTZXCNDTHRX-VIFPVBQESA-N 0 0 197.278 1.470 10 0 ADAERN CC(=O)N1CCC[C@@H]1[C@@H](CO)C1CC1 214191916 571730495 /nfs/dbraw/zinc/73/04/95/571730495.db2.gz XOZGFEQLRAUVER-WDEREUQCSA-N 0 0 197.278 1.016 10 0 ADAERN CO[C@@H](C(C)=O)c1nc(C)cs1 687798709 571730507 /nfs/dbraw/zinc/73/05/07/571730507.db2.gz IUYSHRPYGYNFJP-ZETCQYMHSA-N 0 0 185.248 1.728 10 0 ADAERN CC(C)C[C@@]1(C(=O)[O-])CCC[N@H+](C)C1 214187557 571730510 /nfs/dbraw/zinc/73/05/10/571730510.db2.gz XMLGGTBSVSPUGK-NSHDSACASA-N 0 0 199.294 1.829 10 0 ADAERN Cc1ccc(C)c(C2(O)CC2)c1O 214184612 571730519 /nfs/dbraw/zinc/73/05/19/571730519.db2.gz FILHACWJUMMLLK-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN CCO[C@H](C)c1ncc(CO)cn1 70833270 571730522 /nfs/dbraw/zinc/73/05/22/571730522.db2.gz AFFFPSXHQPYJIR-SSDOTTSWSA-N 0 0 182.223 1.066 10 0 ADAERN CCO[C@@H](C)c1nc(C=O)c[nH]1 70833788 571730548 /nfs/dbraw/zinc/73/05/48/571730548.db2.gz USBVNAGQPRXALU-LURJTMIESA-N 0 0 168.196 1.320 10 0 ADAERN CC(C)[C@H]1CC[NH2+]CC[C@H]1CC(=O)[O-] 214187084 571730550 /nfs/dbraw/zinc/73/05/50/571730550.db2.gz CLHJWYWCJMMAAU-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN CC(=O)N1CCC[C@H]1[C@H](O)C1CCC1 214191711 571730560 /nfs/dbraw/zinc/73/05/60/571730560.db2.gz FFSUXDRWCZFMKC-WDEREUQCSA-N 0 0 197.278 1.158 10 0 ADAERN CCO[C@@H](C)c1nc(C(=O)OC)c[nH]1 70833177 571730587 /nfs/dbraw/zinc/73/05/87/571730587.db2.gz YQVBMVCDVWMPIU-LURJTMIESA-N 0 0 198.222 1.294 10 0 ADAERN CC(=O)CCCn1nccc1C 70685724 571730597 /nfs/dbraw/zinc/73/05/97/571730597.db2.gz MMBDCCGATSAHIZ-UHFFFAOYSA-N 0 0 166.224 1.561 10 0 ADAERN Cc1ccnn1CCCCC(N)=S 70685395 571730601 /nfs/dbraw/zinc/73/06/01/571730601.db2.gz GBZHOAXDEGMBAA-UHFFFAOYSA-N 0 0 197.307 1.648 10 0 ADAERN O=C([O-])[C@@H](C1CC1)[C@H]1CCC[NH2+]CC1 214193550 571730612 /nfs/dbraw/zinc/73/06/12/571730612.db2.gz KCSAWRXRLCLLLZ-WCBMZHEXSA-N 0 0 197.278 1.487 10 0 ADAERN O=C([O-])[C@@H](C1CCC1)C1CC[NH2+]CC1 214193823 571730618 /nfs/dbraw/zinc/73/06/18/571730618.db2.gz RSXFYXRATLNIPM-JTQLQIEISA-N 0 0 197.278 1.487 10 0 ADAERN CC(=O)N1CCC([C@@H](O)C2CC2)CC1 214198277 571730621 /nfs/dbraw/zinc/73/06/21/571730621.db2.gz MRDAKNBCLZVCNR-NSHDSACASA-N 0 0 197.278 1.016 10 0 ADAERN O=C([O-])[C@H](C1CC1)[C@@H]1CCC[NH2+]CC1 214193497 571730636 /nfs/dbraw/zinc/73/06/36/571730636.db2.gz KCSAWRXRLCLLLZ-SCZZXKLOSA-N 0 0 197.278 1.487 10 0 ADAERN CC(=O)N1CCC[C@H]1[C@H](CO)C1CC1 214192081 571730673 /nfs/dbraw/zinc/73/06/73/571730673.db2.gz XOZGFEQLRAUVER-MNOVXSKESA-N 0 0 197.278 1.016 10 0 ADAERN O=C([O-])[C@@H](C1CCC1)[C@H]1CCC[NH2+]C1 214194315 571730666 /nfs/dbraw/zinc/73/06/66/571730666.db2.gz JSOLPUUOOFCFNW-UWVGGRQHSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@H]1CCC[C@H]([C@@H]2CC(=O)NC2=O)C1 70676030 571730668 /nfs/dbraw/zinc/73/06/68/571730668.db2.gz ZEGOCQYZIQVLAL-CIUDSAMLSA-N 0 0 195.262 1.475 10 0 ADAERN O=C([O-])CC[C@H](C1CCC1)C1C[NH2+]C1 214195693 571730677 /nfs/dbraw/zinc/73/06/77/571730677.db2.gz RWCUSUMXMVWCBT-SNVBAGLBSA-N 0 0 197.278 1.487 10 0 ADAERN CC(=O)N1CC[C@@H]1[C@@H](O)C1CCCC1 214192276 571730681 /nfs/dbraw/zinc/73/06/81/571730681.db2.gz BLAJEYJOVSQUIV-MNOVXSKESA-N 0 0 197.278 1.158 10 0 ADAERN O=C([O-])[C@H](C1CCC1)[C@H]1CCC[NH2+]C1 214194369 571730687 /nfs/dbraw/zinc/73/06/87/571730687.db2.gz JSOLPUUOOFCFNW-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN O=C([O-])[C@@H](C1CC1)[C@@H]1CCC[NH2+]CC1 214193603 571730705 /nfs/dbraw/zinc/73/07/05/571730705.db2.gz KCSAWRXRLCLLLZ-PSASIEDQSA-N 0 0 197.278 1.487 10 0 ADAERN O=C([O-])CC[C@@H](C1CC1)[C@H]1CC[NH2+]C1 214195106 571730707 /nfs/dbraw/zinc/73/07/07/571730707.db2.gz ZQOUFXQXEDFCFL-UWVGGRQHSA-N 0 0 197.278 1.487 10 0 ADAERN CCC(=O)[C@@H]1CCCCCN1C(C)=O 214196509 571730711 /nfs/dbraw/zinc/73/07/11/571730711.db2.gz JILNXWNPKRSWIP-JTQLQIEISA-N 0 0 197.278 1.757 10 0 ADAERN CC(=O)N1CCC[C@@H]([C@H](O)C2CC2)C1 214198417 571730716 /nfs/dbraw/zinc/73/07/16/571730716.db2.gz CBDLTVUDPRLOBS-GHMZBOCLSA-N 0 0 197.278 1.016 10 0 ADAERN C[N@@H+]1CCC[C@H]1[C@@H](CC(=O)[O-])C1CC1 214197439 571730725 /nfs/dbraw/zinc/73/07/25/571730725.db2.gz HWRMGGATDQKUOB-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)[C@@H]1CC[NH2+]CC[C@H]1CC(=O)[O-] 214187025 571730740 /nfs/dbraw/zinc/73/07/40/571730740.db2.gz CLHJWYWCJMMAAU-UWVGGRQHSA-N 0 0 199.294 1.733 10 0 ADAERN CN1C[C@@H]([C@@H](O)C2CCCC2)CC1=O 214188809 571730743 /nfs/dbraw/zinc/73/07/43/571730743.db2.gz MLGQVWAQTGRGOX-ONGXEEELSA-N 0 0 197.278 1.016 10 0 ADAERN CC(=O)N1CCC[C@@H]1[C@@H](O)C1CCC1 214191769 571730747 /nfs/dbraw/zinc/73/07/47/571730747.db2.gz FFSUXDRWCZFMKC-MNOVXSKESA-N 0 0 197.278 1.158 10 0 ADAERN CC(C)N1C(=O)CC[C@@H]1[C@@H](O)C1CC1 214188135 571730750 /nfs/dbraw/zinc/73/07/50/571730750.db2.gz GZEKLTKINAJBGH-KOLCDFICSA-N 0 0 197.278 1.157 10 0 ADAERN CC(=O)N1CCCC[C@H]1[C@@H](O)C1CC1 214191573 571730752 /nfs/dbraw/zinc/73/07/52/571730752.db2.gz CZEXPYGPORHKQX-QWRGUYRKSA-N 0 0 197.278 1.158 10 0 ADAERN CN1C(=O)CC[C@H]1[C@H](O)C1CCCC1 214187702 571730766 /nfs/dbraw/zinc/73/07/66/571730766.db2.gz CKRTUNHXTGTZNM-GXSJLCMTSA-N 0 0 197.278 1.158 10 0 ADAERN CC[C@H]1OCC[C@H]1C(=O)NC(C)C 234132862 571730769 /nfs/dbraw/zinc/73/07/69/571730769.db2.gz GDEQCMXNHUONSA-RKDXNWHRSA-N 0 0 185.267 1.326 10 0 ADAERN CCC[C@@H]1CC[NH2+]CC[C@H]1CC(=O)[O-] 214187272 571730774 /nfs/dbraw/zinc/73/07/74/571730774.db2.gz IQSVCWWJHFXPAI-ZJUUUORDSA-N 0 0 199.294 1.877 10 0 ADAERN O=Nc1c[nH]c2ncccc12 24410477 571730780 /nfs/dbraw/zinc/73/07/80/571730780.db2.gz VCWSDDANNVVIKJ-UHFFFAOYSA-N 0 0 147.137 1.961 10 0 ADAERN O=C([O-])[C@H](C1CC1)[C@H]1CCC[NH2+]CC1 214193440 571730797 /nfs/dbraw/zinc/73/07/97/571730797.db2.gz KCSAWRXRLCLLLZ-WPRPVWTQSA-N 0 0 197.278 1.487 10 0 ADAERN CC(C)C(=O)[C@H]1CCC(=O)N1C(C)C 214188286 571731540 /nfs/dbraw/zinc/73/15/40/571731540.db2.gz REMXLDVIBSTGTR-SECBINFHSA-N 0 0 197.278 1.611 10 0 ADAERN Cc1ccnn1CCC[C@H](C)O 70686267 571730800 /nfs/dbraw/zinc/73/08/00/571730800.db2.gz VUTDADSIZGYCQG-VIFPVBQESA-N 0 0 168.240 1.353 10 0 ADAERN CC(=O)N1CCC[C@H]([C@H](O)C2CC2)C1 214198360 571730803 /nfs/dbraw/zinc/73/08/03/571730803.db2.gz CBDLTVUDPRLOBS-WDEREUQCSA-N 0 0 197.278 1.016 10 0 ADAERN Cc1cc(C(=O)CN)cc(C)c1N 214187925 571730815 /nfs/dbraw/zinc/73/08/15/571730815.db2.gz SERVZCGNQNVTIK-UHFFFAOYSA-N 0 0 178.235 1.027 10 0 ADAERN CCO[C@H](C)c1noc(C(C)=O)n1 70833502 571730816 /nfs/dbraw/zinc/73/08/16/571730816.db2.gz BUNNCASVZNTOBY-ZCFIWIBFSA-N 0 0 184.195 1.370 10 0 ADAERN O=C([O-])CC[C@@H](C1CC1)[C@@H]1CC[NH2+]C1 214195001 571730840 /nfs/dbraw/zinc/73/08/40/571730840.db2.gz ZQOUFXQXEDFCFL-ZJUUUORDSA-N 0 0 197.278 1.487 10 0 ADAERN CC(=O)N1CCC[C@H]([C@@H](O)C2CC2)C1 214198474 571730846 /nfs/dbraw/zinc/73/08/46/571730846.db2.gz CBDLTVUDPRLOBS-QWRGUYRKSA-N 0 0 197.278 1.016 10 0 ADAERN CC(C)C[C@H]1CC[NH2+]C[C@@H]1CC(=O)[O-] 214186467 571730852 /nfs/dbraw/zinc/73/08/52/571730852.db2.gz RNFGHCCKRMUXGL-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN CC(C)C(=O)[C@@H]1CCC(=O)N1C(C)C 214188225 571730853 /nfs/dbraw/zinc/73/08/53/571730853.db2.gz REMXLDVIBSTGTR-VIFPVBQESA-N 0 0 197.278 1.611 10 0 ADAERN CC(=O)N1CCC[C@@H]1[C@H](O)C1CCC1 214191654 571730870 /nfs/dbraw/zinc/73/08/70/571730870.db2.gz FFSUXDRWCZFMKC-GHMZBOCLSA-N 0 0 197.278 1.158 10 0 ADAERN Cc1ccnn1CCCC[C@H](C)O 70686275 571730886 /nfs/dbraw/zinc/73/08/86/571730886.db2.gz LMHOVACKLSYSTR-JTQLQIEISA-N 0 0 182.267 1.743 10 0 ADAERN O=C1NCC[C@H]1[C@@H](O)C1CCCCC1 214189156 571730888 /nfs/dbraw/zinc/73/08/88/571730888.db2.gz CSEFJEZUGRCRFN-UWVGGRQHSA-N 0 0 197.278 1.064 10 0 ADAERN C[N@@H+]1CC[C@H]1[C@H](C(=O)[O-])C1CCCC1 214197732 571730898 /nfs/dbraw/zinc/73/08/98/571730898.db2.gz CUDBQMRBBFUNQG-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1ccn(CCCC[C@@H](C)O)n1 70686224 571730900 /nfs/dbraw/zinc/73/09/00/571730900.db2.gz BEIPWQAYFSTRFR-SNVBAGLBSA-N 0 0 182.267 1.743 10 0 ADAERN Cc1c(Cl)ccc(O)c1C(=O)CN 214195139 571730909 /nfs/dbraw/zinc/73/09/09/571730909.db2.gz IBMHOQNNVPQNEB-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN CC[C@@](O)(COC)[C@@H](C)COC 70657258 571730918 /nfs/dbraw/zinc/73/09/18/571730918.db2.gz INLZKJDSYQLMEC-DTWKUNHWSA-N 0 0 176.256 1.056 10 0 ADAERN CC(=O)CCCCn1ccc(C)n1 70685657 571730926 /nfs/dbraw/zinc/73/09/26/571730926.db2.gz ZKAMNJIXXUMAFN-UHFFFAOYSA-N 0 0 180.251 1.951 10 0 ADAERN CC(C)CC[C@H](C)[C@@H]1CC(=O)NC1=O 70676226 571730929 /nfs/dbraw/zinc/73/09/29/571730929.db2.gz NXXPFIOMWWPONB-IUCAKERBSA-N 0 0 197.278 1.721 10 0 ADAERN Cc1ccnn1CCCC(=O)N(C)C 70688448 571730937 /nfs/dbraw/zinc/73/09/37/571730937.db2.gz VSWYZIFXBWIQLQ-UHFFFAOYSA-N 0 0 195.266 1.060 10 0 ADAERN CC(=O)N1CC[C@@H]([C@@H](O)C2CCC2)C1 214198908 571730948 /nfs/dbraw/zinc/73/09/48/571730948.db2.gz MRSGOWUEEXZDGE-MNOVXSKESA-N 0 0 197.278 1.016 10 0 ADAERN CC(=O)N1CC[C@@H]1[C@@H](CCO)C1CC1 214192669 571730949 /nfs/dbraw/zinc/73/09/49/571730949.db2.gz KAGSXLZYYHEMDR-WDEREUQCSA-N 0 0 197.278 1.016 10 0 ADAERN C[N@@H+]1CC[C@H]([C@@H](CC(=O)[O-])C2CC2)C1 214198982 571730967 /nfs/dbraw/zinc/73/09/67/571730967.db2.gz AUICDNVVTXCZOD-UWVGGRQHSA-N 0 0 197.278 1.439 10 0 ADAERN Cc1ccn(CCCC[C@H](C)O)n1 70686227 571730969 /nfs/dbraw/zinc/73/09/69/571730969.db2.gz BEIPWQAYFSTRFR-JTQLQIEISA-N 0 0 182.267 1.743 10 0 ADAERN CC[C@@](O)(COC)[C@H](C)COC 70657260 571730975 /nfs/dbraw/zinc/73/09/75/571730975.db2.gz INLZKJDSYQLMEC-RKDXNWHRSA-N 0 0 176.256 1.056 10 0 ADAERN CC(=O)Cc1ccnn1CC1CC1 214188008 571730976 /nfs/dbraw/zinc/73/09/76/571730976.db2.gz SWWIQQNUUFJOFH-UHFFFAOYSA-N 0 0 178.235 1.425 10 0 ADAERN C[N@@H+]1CCC[C@@H]1[C@@H](CC(=O)[O-])C1CC1 214197376 571731294 /nfs/dbraw/zinc/73/12/94/571731294.db2.gz HWRMGGATDQKUOB-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN O=C1C[C@@H]([C@@H](O)C2CCCCC2)CN1 214188382 571730987 /nfs/dbraw/zinc/73/09/87/571730987.db2.gz TXVSPEPZWYQPHX-KOLCDFICSA-N 0 0 197.278 1.064 10 0 ADAERN CC(=O)N1CCC[C@@H]1[C@H](CO)C1CC1 214192024 571730994 /nfs/dbraw/zinc/73/09/94/571730994.db2.gz XOZGFEQLRAUVER-GHMZBOCLSA-N 0 0 197.278 1.016 10 0 ADAERN CCO[C@@H](C)c1noc(CC(C)=O)n1 70833449 571730998 /nfs/dbraw/zinc/73/09/98/571730998.db2.gz JJNGCOARWFHPBU-ZETCQYMHSA-N 0 0 198.222 1.299 10 0 ADAERN CCO[C@H](C)c1noc([C@@H](C)O)n1 70833652 571731016 /nfs/dbraw/zinc/73/10/16/571731016.db2.gz IPZCXUCAGIPOLA-PHDIDXHHSA-N 0 0 186.211 1.220 10 0 ADAERN CCCC(=O)Cn1nccc1C 70685707 571731033 /nfs/dbraw/zinc/73/10/33/571731033.db2.gz ZSSGRJYDTMGXDL-UHFFFAOYSA-N 0 0 166.224 1.561 10 0 ADAERN CCO[C@@H](C)c1nccc(CO)n1 70833264 571731043 /nfs/dbraw/zinc/73/10/43/571731043.db2.gz DVLATOBBYQOINT-ZETCQYMHSA-N 0 0 182.223 1.066 10 0 ADAERN Cc1ccnn1CCCC[C@@H](C)O 70686274 571731081 /nfs/dbraw/zinc/73/10/81/571731081.db2.gz LMHOVACKLSYSTR-SNVBAGLBSA-N 0 0 182.267 1.743 10 0 ADAERN CC[C@](C)(O)[C@@H](O)C1=CCCCO1 234132940 571731084 /nfs/dbraw/zinc/73/10/84/571731084.db2.gz BUGFJBJADKCJNJ-UWVGGRQHSA-N 0 0 186.251 1.203 10 0 ADAERN CCOC(Cn1nccc1C)OCC 70685754 571731089 /nfs/dbraw/zinc/73/10/89/571731089.db2.gz SUTMHLFSOSPDFC-UHFFFAOYSA-N 0 0 198.266 1.591 10 0 ADAERN CC(C)C[C@@H]1CC[NH2+]CC[C@H]1C(=O)[O-] 214186262 571731090 /nfs/dbraw/zinc/73/10/90/571731090.db2.gz VHZBXFNZVCZVKT-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN Cc1nc2ccc(CO)c(O)c2o1 214197249 571731095 /nfs/dbraw/zinc/73/10/95/571731095.db2.gz FYAZTHMPZVNAMT-UHFFFAOYSA-N 0 0 179.175 1.334 10 0 ADAERN Cc1ccn(CCC[C@H](C)O)n1 70686197 571731106 /nfs/dbraw/zinc/73/11/06/571731106.db2.gz AGFOXKAWYBYQIO-VIFPVBQESA-N 0 0 168.240 1.353 10 0 ADAERN CCC(=O)[C@H]1CCCN(C(C)=O)CC1 214198139 571731107 /nfs/dbraw/zinc/73/11/07/571731107.db2.gz DJWWAXTZWMWCDO-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN CC(C)C[C@H]1C[NH2+]CC[C@@H]1CC(=O)[O-] 214186727 571731620 /nfs/dbraw/zinc/73/16/20/571731620.db2.gz HGZYYJVRXDYDOS-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN CC[C@](C)(O)[C@@H](O)C1CCC1 234133013 571731120 /nfs/dbraw/zinc/73/11/20/571731120.db2.gz BCRSWHLUAGMCRZ-IUCAKERBSA-N 0 0 158.241 1.308 10 0 ADAERN CC(C)C[C@]1(C(=O)[O-])CCC[N@H+](C)C1 214187502 571731149 /nfs/dbraw/zinc/73/11/49/571731149.db2.gz XMLGGTBSVSPUGK-LLVKDONJSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1ccnn1CCCCCO 70685954 571731157 /nfs/dbraw/zinc/73/11/57/571731157.db2.gz KJSLTBPUUPQARE-UHFFFAOYSA-N 0 0 168.240 1.354 10 0 ADAERN CCCC(CCC)[C@@H]1CC(=O)NC1=O 70676234 571731163 /nfs/dbraw/zinc/73/11/63/571731163.db2.gz PVCWNXQUORGPEJ-VIFPVBQESA-N 0 0 197.278 1.866 10 0 ADAERN CN1C[C@@H]([C@H](O)C2CCCC2)CC1=O 214188692 571731171 /nfs/dbraw/zinc/73/11/71/571731171.db2.gz MLGQVWAQTGRGOX-GXSJLCMTSA-N 0 0 197.278 1.016 10 0 ADAERN CC(=O)N1CCC([C@H](O)C2CC2)CC1 214198225 571731193 /nfs/dbraw/zinc/73/11/93/571731193.db2.gz MRDAKNBCLZVCNR-LLVKDONJSA-N 0 0 197.278 1.016 10 0 ADAERN Cc1ccn(CCCC(N)=S)n1 70685380 571731197 /nfs/dbraw/zinc/73/11/97/571731197.db2.gz QYDQEAJYJGKEEH-UHFFFAOYSA-N 0 0 183.280 1.258 10 0 ADAERN COC(=O)CCCn1ccc(C)n1 70684973 571731215 /nfs/dbraw/zinc/73/12/15/571731215.db2.gz HFPBYRSLSKQQKD-UHFFFAOYSA-N 0 0 182.223 1.145 10 0 ADAERN CC(=O)N1CCCC[C@H]1C(=O)C(C)C 214196807 571731224 /nfs/dbraw/zinc/73/12/24/571731224.db2.gz FWBDSRZIMMBXPK-JTQLQIEISA-N 0 0 197.278 1.613 10 0 ADAERN CO[C@H](C)CN1C(=O)CC1(C)C 687798725 571731228 /nfs/dbraw/zinc/73/12/28/571731228.db2.gz DIVDNCJBFXHJMF-SSDOTTSWSA-N 0 0 171.240 1.032 10 0 ADAERN CCO[C@@H](C)c1noc([C@H](C)O)n1 70833655 571731235 /nfs/dbraw/zinc/73/12/35/571731235.db2.gz IPZCXUCAGIPOLA-WDSKDSINSA-N 0 0 186.211 1.220 10 0 ADAERN CC(=O)Nc1cccc(C=O)c1O 214197168 571731249 /nfs/dbraw/zinc/73/12/49/571731249.db2.gz FVJOCNNSRLQKPQ-UHFFFAOYSA-N 0 0 179.175 1.163 10 0 ADAERN CC(=O)Nc1ccc(O)cc1C=O 214197003 571731262 /nfs/dbraw/zinc/73/12/62/571731262.db2.gz PFNZEZIGPALFKZ-UHFFFAOYSA-N 0 0 179.175 1.163 10 0 ADAERN CCC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 214196006 571731271 /nfs/dbraw/zinc/73/12/71/571731271.db2.gz BFCXFTGJUFYGOJ-QMMMGPOBSA-N 0 0 197.278 1.613 10 0 ADAERN C[NH+]1CC([C@H](CC(=O)[O-])C2CCC2)C1 214199430 571731283 /nfs/dbraw/zinc/73/12/83/571731283.db2.gz KPKBAPKASJTGHH-SNVBAGLBSA-N 0 0 197.278 1.439 10 0 ADAERN CC(=O)N1CCC[C@H]1[C@@H](O)C1CCC1 214191826 571731316 /nfs/dbraw/zinc/73/13/16/571731316.db2.gz FFSUXDRWCZFMKC-QWRGUYRKSA-N 0 0 197.278 1.158 10 0 ADAERN CC(C)(C)[N@@H+]1CC[C@@H](CCC(=O)[O-])C1 214185209 571731340 /nfs/dbraw/zinc/73/13/40/571731340.db2.gz ZFMJPOVYPFAKPB-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN O=C([O-])[C@@H](C1CCCC1)[C@@H]1CC[NH2+]C1 214195191 571731348 /nfs/dbraw/zinc/73/13/48/571731348.db2.gz GYJLRTGUCZIUPY-ZJUUUORDSA-N 0 0 197.278 1.487 10 0 ADAERN CCC[C@H](C)O[C@H](CC)C(N)=O 687798735 571731350 /nfs/dbraw/zinc/73/13/50/571731350.db2.gz IDYRMQVIWSOEJL-JGVFFNPUSA-N 0 0 173.256 1.456 10 0 ADAERN CC(C)C[C@@H]1CC[NH2+]C[C@@H]1CC(=O)[O-] 214186412 571731355 /nfs/dbraw/zinc/73/13/55/571731355.db2.gz RNFGHCCKRMUXGL-UWVGGRQHSA-N 0 0 199.294 1.733 10 0 ADAERN Cc1ccn(CCCn2ccnc2)n1 70688047 571731362 /nfs/dbraw/zinc/73/13/62/571731362.db2.gz BQZOJEBIXHZGLV-UHFFFAOYSA-N 0 0 190.250 1.478 10 0 ADAERN CC(C)N1C(=O)CC[C@@H]1[C@H](O)C1CC1 214188021 571731379 /nfs/dbraw/zinc/73/13/79/571731379.db2.gz GZEKLTKINAJBGH-MWLCHTKSSA-N 0 0 197.278 1.157 10 0 ADAERN CC(=O)N1CC[C@H]1[C@@H](CO)C1CCC1 214192481 571731394 /nfs/dbraw/zinc/73/13/94/571731394.db2.gz OEINJMHHVFBKHA-QWRGUYRKSA-N 0 0 197.278 1.016 10 0 ADAERN C[NH+]1CC([C@H](C(=O)[O-])C2CCCC2)C1 214197528 571731403 /nfs/dbraw/zinc/73/14/03/571731403.db2.gz FEQZNAFCYQVLTK-SNVBAGLBSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)C[C@@H]1C[NH2+]CC[C@H]1CC(=O)[O-] 214186784 571731441 /nfs/dbraw/zinc/73/14/41/571731441.db2.gz HGZYYJVRXDYDOS-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN CCC(=O)[C@@H]1CCCCN(C(C)=O)C1 214196351 571731445 /nfs/dbraw/zinc/73/14/45/571731445.db2.gz KYHZPXWZVRZMPR-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN CC[C@@](O)(COC)c1ccc(C)nc1 70657196 571731452 /nfs/dbraw/zinc/73/14/52/571731452.db2.gz RFHGDCQELMGMTB-LLVKDONJSA-N 0 0 195.262 1.634 10 0 ADAERN CC(=O)N1CC[C@@H]([C@H](O)C2CCC2)C1 214198800 571731467 /nfs/dbraw/zinc/73/14/67/571731467.db2.gz MRSGOWUEEXZDGE-GHMZBOCLSA-N 0 0 197.278 1.016 10 0 ADAERN O=C1COc2c(Cl)cc(O)cc2N1 214194119 571731474 /nfs/dbraw/zinc/73/14/74/571731474.db2.gz ZAJCEVPXVZVMAX-UHFFFAOYSA-N 0 0 199.593 1.377 10 0 ADAERN CC[C@](O)(COC)[C@H](C)COC 70657261 571731479 /nfs/dbraw/zinc/73/14/79/571731479.db2.gz INLZKJDSYQLMEC-BDAKNGLRSA-N 0 0 176.256 1.056 10 0 ADAERN CCO[C@@H](C)c1nc(C)cc(CO)n1 70833273 571731489 /nfs/dbraw/zinc/73/14/89/571731489.db2.gz JVANGUFLIUAGFN-QMMMGPOBSA-N 0 0 196.250 1.375 10 0 ADAERN CCC(CC)C[C@@H]1CC(=O)NC1=O 70676460 571731492 /nfs/dbraw/zinc/73/14/92/571731492.db2.gz OTEJFPOFGRQLFK-MRVPVSSYSA-N 0 0 183.251 1.475 10 0 ADAERN CCC[C@@H](C)O[C@@H](CC)C(N)=O 687798736 571731520 /nfs/dbraw/zinc/73/15/20/571731520.db2.gz IDYRMQVIWSOEJL-SFYZADRCSA-N 0 0 173.256 1.456 10 0 ADAERN O=C(Cc1ccccc1)SCCO 214197711 571731521 /nfs/dbraw/zinc/73/15/21/571731521.db2.gz XUDCCHDVYUMAKZ-UHFFFAOYSA-N 0 0 196.271 1.481 10 0 ADAERN CCC(=O)[C@H]1CCCCN(C(C)=O)C1 214196411 571731526 /nfs/dbraw/zinc/73/15/26/571731526.db2.gz KYHZPXWZVRZMPR-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN CCO[C@H](C)c1nccc(CO)n1 70833266 571731533 /nfs/dbraw/zinc/73/15/33/571731533.db2.gz DVLATOBBYQOINT-SSDOTTSWSA-N 0 0 182.223 1.066 10 0 ADAERN COC(=O)N1CC(C(=O)C2CCC2)C1 214187350 571731550 /nfs/dbraw/zinc/73/15/50/571731550.db2.gz BJSOCNUQOABXKF-UHFFFAOYSA-N 0 0 197.234 1.054 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1[C@H](C(=O)[O-])C1CC1 214196941 571731557 /nfs/dbraw/zinc/73/15/57/571731557.db2.gz VOIMTLGZZDOOGZ-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)N1C[C@H]([C@@H](O)C2CC2)CC1=O 214189017 571731565 /nfs/dbraw/zinc/73/15/65/571731565.db2.gz ZXNMDMMLNMVQBR-KOLCDFICSA-N 0 0 197.278 1.014 10 0 ADAERN CCC[C@H]1CC[NH2+]CC[C@@H]1CC(=O)[O-] 214187217 571731573 /nfs/dbraw/zinc/73/15/73/571731573.db2.gz IQSVCWWJHFXPAI-VHSXEESVSA-N 0 0 199.294 1.877 10 0 ADAERN COc1cc(Cl)cnc1CC(C)=O 214195387 571731585 /nfs/dbraw/zinc/73/15/85/571731585.db2.gz ZYAZNJBXSZJWIQ-UHFFFAOYSA-N 0 0 199.637 1.875 10 0 ADAERN C[N@@H+]1CCCC[C@H]1[C@H](C(=O)[O-])C1CC1 214196993 571731615 /nfs/dbraw/zinc/73/16/15/571731615.db2.gz VOIMTLGZZDOOGZ-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN CC(=O)N1CC[C@H]1[C@H](O)C1CCCC1 214192221 571731627 /nfs/dbraw/zinc/73/16/27/571731627.db2.gz BLAJEYJOVSQUIV-WDEREUQCSA-N 0 0 197.278 1.158 10 0 ADAERN CC(=O)N1CCC[C@H](C(=O)C(C)C)C1 214198672 571731632 /nfs/dbraw/zinc/73/16/32/571731632.db2.gz RQKUHLKXJYWOPP-JTQLQIEISA-N 0 0 197.278 1.470 10 0 ADAERN C[NH+]1CC([C@@H](CCC(=O)[O-])C2CC2)C1 214199245 571731638 /nfs/dbraw/zinc/73/16/38/571731638.db2.gz KFRLUVSZUVXNJC-JTQLQIEISA-N 0 0 197.278 1.439 10 0 ADAERN CC(=O)N1CC[C@H]1[C@@H](CCO)C1CC1 214192727 571731643 /nfs/dbraw/zinc/73/16/43/571731643.db2.gz KAGSXLZYYHEMDR-QWRGUYRKSA-N 0 0 197.278 1.016 10 0 ADAERN CC(=O)N1CC[C@H]([C@H](O)C2CCC2)C1 214198748 571731666 /nfs/dbraw/zinc/73/16/66/571731666.db2.gz MRSGOWUEEXZDGE-WDEREUQCSA-N 0 0 197.278 1.016 10 0 ADAERN COc1cccc(C)c1C1(O)CC1 214184467 571731707 /nfs/dbraw/zinc/73/17/07/571731707.db2.gz DUDIEHKPPLVNMM-UHFFFAOYSA-N 0 0 178.231 1.985 10 0 ADAERN CC(C)C[C@@H]1CC[NH2+]CC[C@@H]1C(=O)[O-] 214186145 571731792 /nfs/dbraw/zinc/73/17/92/571731792.db2.gz VHZBXFNZVCZVKT-UWVGGRQHSA-N 0 0 199.294 1.733 10 0 ADAERN C/C(=C/CC/C(C)=C/CO)CO 15120290 571731799 /nfs/dbraw/zinc/73/17/99/571731799.db2.gz PREUOUJFXMCMSJ-KWNZIKDBSA-N 0 0 170.252 1.644 10 0 endogenous,in-man ADAERN C=C/C(C)=C/C[C@@H](O)C(C)(C)O 15120356 571731817 /nfs/dbraw/zinc/73/18/17/571731817.db2.gz BTHAWHOTHGQIKC-BNICOGTQSA-N 0 0 170.252 1.641 10 0 endogenous,in-man ADAERN CC(=O)N1CCCC[C@H]1[C@H](O)C1CC1 214191459 571731750 /nfs/dbraw/zinc/73/17/50/571731750.db2.gz CZEXPYGPORHKQX-WDEREUQCSA-N 0 0 197.278 1.158 10 0 ADAERN O=C([O-])[C@H](C1CCC1)C1CC[NH2+]CC1 214193875 571731840 /nfs/dbraw/zinc/73/18/40/571731840.db2.gz RSXFYXRATLNIPM-SNVBAGLBSA-N 0 0 197.278 1.487 10 0 ADAERN C[NH+]1CC([C@H](CCC(=O)[O-])C2CC2)C1 214199304 571731884 /nfs/dbraw/zinc/73/18/84/571731884.db2.gz KFRLUVSZUVXNJC-SNVBAGLBSA-N 0 0 197.278 1.439 10 0 ADAERN OCCc1ccc(C2(O)CC2)cc1 214184778 571731893 /nfs/dbraw/zinc/73/18/93/571731893.db2.gz AKXAQYAABFSKCX-UHFFFAOYSA-N 0 0 178.231 1.203 10 0 ADAERN COc1cccc2c1CNC(=O)O2 214197838 571731913 /nfs/dbraw/zinc/73/19/13/571731913.db2.gz SBOLLXWGHMOLNL-UHFFFAOYSA-N 0 0 179.175 1.297 10 0 ADAERN CC(C)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 214196226 571731919 /nfs/dbraw/zinc/73/19/19/571731919.db2.gz JKBRRDQCRMSUER-SECBINFHSA-N 0 0 197.278 1.468 10 0 ADAERN CC(=O)N1CC[C@@H]1[C@H](CCO)C1CC1 214192783 571731940 /nfs/dbraw/zinc/73/19/40/571731940.db2.gz KAGSXLZYYHEMDR-GHMZBOCLSA-N 0 0 197.278 1.016 10 0 ADAERN CC[N@@H+]1CCCC[C@H](CCC(=O)[O-])C1 214185573 571731944 /nfs/dbraw/zinc/73/19/44/571731944.db2.gz GZAMPRZSPILREL-SNVBAGLBSA-N 0 0 199.294 1.973 10 0 ADAERN O=C([O-])CC[C@H](C1CC1)[C@H]1CC[NH2+]C1 214195055 571731948 /nfs/dbraw/zinc/73/19/48/571731948.db2.gz ZQOUFXQXEDFCFL-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1cc(CO)cc2c1O[C@@H](C)C2 214184908 571731954 /nfs/dbraw/zinc/73/19/54/571731954.db2.gz GRTHSGPDIMWDGM-QMMMGPOBSA-N 0 0 178.231 1.811 10 0 ADAERN Cc1ccc2c(c1)OC(=S)NC2 214216574 571732330 /nfs/dbraw/zinc/73/23/30/571732330.db2.gz YPQDEQRNWZWKRZ-UHFFFAOYSA-N 0 0 179.244 1.762 10 0 ADAERN COc1cc(N)cc2c1O[C@H](C)C2 214209855 571732997 /nfs/dbraw/zinc/73/29/97/571732997.db2.gz QBSQDEWVEHOHKV-ZCFIWIBFSA-N 0 0 179.219 1.601 10 0 ADAERN O=C1NC[C@@]2(C3CCCCC3)C[C@@H]12 214221528 571732578 /nfs/dbraw/zinc/73/25/78/571732578.db2.gz BMEMZFVYTYTMMD-GXSJLCMTSA-N 0 0 179.263 1.703 10 0 ADAERN COCCCCC(=O)OC1CCC1 388673404 571732583 /nfs/dbraw/zinc/73/25/83/571732583.db2.gz YMNSOULZLBHZSR-UHFFFAOYSA-N 0 0 186.251 1.899 10 0 ADAERN CC(C)O[C@H]1C[C@H](C)CC[C@@H]1O 687798866 571732588 /nfs/dbraw/zinc/73/25/88/571732588.db2.gz BLBPVMOLKAVFTE-UTLUCORTSA-N 0 0 172.268 1.961 10 0 ADAERN COCCc1nc([C@H](C)O)cs1 70843059 571732647 /nfs/dbraw/zinc/73/26/47/571732647.db2.gz GTPPCVNNSUCXSY-LURJTMIESA-N 0 0 187.264 1.385 10 0 ADAERN COc1ccc(C)nc1C1(O)CC1 214208825 571732678 /nfs/dbraw/zinc/73/26/78/571732678.db2.gz ROFOTCJHDUVQEG-UHFFFAOYSA-N 0 0 179.219 1.380 10 0 ADAERN C/C=C\C(=O)Oc1ccccc1C=O 34924803 571732809 /nfs/dbraw/zinc/73/28/09/571732809.db2.gz MOUQACBLSHRVJO-DJWKRKHSSA-N 0 0 190.198 1.981 10 0 ADAERN CC(C)O[C@@H]1C[C@H](C)CC[C@H]1O 687798865 571732902 /nfs/dbraw/zinc/73/29/02/571732902.db2.gz BLBPVMOLKAVFTE-OPRDCNLKSA-N 0 0 172.268 1.961 10 0 ADAERN COC(OC)C(C)(C)Br 140245552 571732919 /nfs/dbraw/zinc/73/29/19/571732919.db2.gz ZUAFAIVEEWFGAR-UHFFFAOYSA-N 0 0 197.072 1.779 10 0 ADAERN O=C1NCC2(C3CCCC3)CC1C2 214222703 571732986 /nfs/dbraw/zinc/73/29/86/571732986.db2.gz SGBDBLZRVCGWDJ-UHFFFAOYSA-N 0 0 179.263 1.703 10 0 ADAERN Nc1ccc2c(c1)NC(=S)NC2 214217736 571733703 /nfs/dbraw/zinc/73/37/03/571733703.db2.gz QJPQUOOSGWRXBM-UHFFFAOYSA-N 0 0 179.248 1.069 10 0 ADAERN CC[C@H](CO)N(O)c1ccccc1 214220774 571733138 /nfs/dbraw/zinc/73/31/38/571733138.db2.gz CXYWMLMOLCIPJQ-SECBINFHSA-N 0 0 181.235 1.653 10 0 ADAERN CCOC(=O)CCc1ccncc1O 140244611 571733254 /nfs/dbraw/zinc/73/32/54/571733254.db2.gz AUXFQWLNRZVHJC-UHFFFAOYSA-N 0 0 195.218 1.283 10 0 ADAERN O=C1NC[C@@]2(CC3CCC3)CC[C@@H]12 214221775 571733301 /nfs/dbraw/zinc/73/33/01/571733301.db2.gz MAGYPFNUIOTQNY-ONGXEEELSA-N 0 0 179.263 1.703 10 0 ADAERN Nc1cccc2c1NC(=S)NC2 214217826 571733438 /nfs/dbraw/zinc/73/34/38/571733438.db2.gz CDBUFXSFFAXJBC-UHFFFAOYSA-N 0 0 179.248 1.069 10 0 ADAERN C/C=C/C(=O)Oc1cccc(C=O)c1 34924805 571733479 /nfs/dbraw/zinc/73/34/79/571733479.db2.gz GADJPVMVTQOVBL-DUXPYHPUSA-N 0 0 190.198 1.981 10 0 ADAERN COCCc1nc(C(C)=O)cs1 70848662 571733488 /nfs/dbraw/zinc/73/34/88/571733488.db2.gz KWUQTJWURGXVQV-UHFFFAOYSA-N 0 0 185.248 1.535 10 0 ADAERN Nc1cccc2c1CNC(=S)N2 214217908 571733635 /nfs/dbraw/zinc/73/36/35/571733635.db2.gz MOPGCVSHRJZOMS-UHFFFAOYSA-N 0 0 179.248 1.069 10 0 ADAERN CC(C)c1nc(Cl)c2n1CCNC2 214205491 571733645 /nfs/dbraw/zinc/73/36/45/571733645.db2.gz WSSKAEFIXFYJKK-UHFFFAOYSA-N 0 0 199.685 1.763 10 0 ADAERN CC(C)O[C@@H]1C[C@H](C)CC[C@@H]1O 687798864 571733677 /nfs/dbraw/zinc/73/36/77/571733677.db2.gz BLBPVMOLKAVFTE-KXUCPTDWSA-N 0 0 172.268 1.961 10 0 ADAERN CC(C)O[C@H]1C[C@H](C)CC[C@H]1O 687798863 571733693 /nfs/dbraw/zinc/73/36/93/571733693.db2.gz BLBPVMOLKAVFTE-BBBLOLIVSA-N 0 0 172.268 1.961 10 0 ADAERN O=C1NC[C@@]2(CC3CCCC3)C[C@@H]12 214222029 571733744 /nfs/dbraw/zinc/73/37/44/571733744.db2.gz NLWAFTFWNOMMHD-GXSJLCMTSA-N 0 0 179.263 1.703 10 0 ADAERN CCc1cc(N)cc(C(=O)OC)c1 214208749 571733763 /nfs/dbraw/zinc/73/37/63/571733763.db2.gz ZMFWBQPKTVZPPA-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN OC(O)c1cccc(Cl)c1 140484320 571733785 /nfs/dbraw/zinc/73/37/85/571733785.db2.gz DZHHNQSWIQLJIP-UHFFFAOYSA-N 0 0 158.584 1.323 10 0 ADAERN CCOC(=O)/C=C\[C@@H]1CCOC1 217657549 571733799 /nfs/dbraw/zinc/73/37/99/571733799.db2.gz BACHKFAFTCVKGP-TUUFMJSCSA-N 0 0 170.208 1.142 10 0 ADAERN CC1=CCOc2ncccc21 24601750 571733854 /nfs/dbraw/zinc/73/38/54/571733854.db2.gz LTTAKNCPCBPDAI-UHFFFAOYSA-N 0 0 147.177 1.877 10 0 ADAERN O=C1NC[C@@]2(C3CCCC3)CC[C@H]12 214221182 571733893 /nfs/dbraw/zinc/73/38/93/571733893.db2.gz MYAQVNUTHOAYCR-MWLCHTKSSA-N 0 0 179.263 1.703 10 0 ADAERN COCCc1nc([C@@H](C)O)cs1 70843068 571733918 /nfs/dbraw/zinc/73/39/18/571733918.db2.gz GTPPCVNNSUCXSY-ZCFIWIBFSA-N 0 0 187.264 1.385 10 0 ADAERN COc1cc(N)cc2c1O[C@@H](C)C2 214209913 571733927 /nfs/dbraw/zinc/73/39/27/571733927.db2.gz QBSQDEWVEHOHKV-LURJTMIESA-N 0 0 179.219 1.601 10 0 ADAERN CCCOCCc1nc(N)ns1 70838869 571733950 /nfs/dbraw/zinc/73/39/50/571733950.db2.gz ZBOFYCROHUETFD-UHFFFAOYSA-N 0 0 187.268 1.089 10 0 ADAERN COc1ccn2c1CCCC2 24564795 571734008 /nfs/dbraw/zinc/73/40/08/571734008.db2.gz YBGJKUBRCWKOBJ-UHFFFAOYSA-N 0 0 151.209 1.833 10 0 ADAERN C[NH+]1CCC([C@@H](O)C2CCCC2)CC1 214221472 571734093 /nfs/dbraw/zinc/73/40/93/571734093.db2.gz PQDBAVJLOUXEPL-LBPRGKRZSA-N 0 0 197.322 1.879 10 0 ADAERN Nc1ccc2c(c1)CNC(=S)N2 214217654 571734123 /nfs/dbraw/zinc/73/41/23/571734123.db2.gz NVDHIYZADZFCNP-UHFFFAOYSA-N 0 0 179.248 1.069 10 0 ADAERN O=C1NC[C@]2(CC3CCCC3)C[C@H]12 214221852 571734176 /nfs/dbraw/zinc/73/41/76/571734176.db2.gz NLWAFTFWNOMMHD-KOLCDFICSA-N 0 0 179.263 1.703 10 0 ADAERN CC(=O)O[C@H](C)C[C@@H](O)C(C)C 214206002 571734374 /nfs/dbraw/zinc/73/43/74/571734374.db2.gz HOAQMJASLLWQDF-VXNVDRBHSA-N 0 0 174.240 1.345 10 0 ADAERN C[C@H](CCC1CC1)N1CCC(=O)C1=O 398168087 571734309 /nfs/dbraw/zinc/73/43/09/571734309.db2.gz NGTJRCDSDRZCMJ-MRVPVSSYSA-N 0 0 195.262 1.367 10 0 ADAERN COC(=O)[C@H](C(C)=O)[C@@H](C)C(C)C 168711168 571734461 /nfs/dbraw/zinc/73/44/61/571734461.db2.gz RSBDHCKQRIZLPV-CBAPKCEASA-N 0 0 186.251 1.657 10 0 ADAERN CC[C@@H](C)CNc1nnc(N)o1 233839856 571734412 /nfs/dbraw/zinc/73/44/12/571734412.db2.gz OCPQJSUGLVIABI-RXMQYKEDSA-N 0 0 170.216 1.110 10 0 ADAERN C[C@@H]1C[C@@]2(CCO1)CCC(=O)O2 235297868 571734429 /nfs/dbraw/zinc/73/44/29/571734429.db2.gz QOOLYULIKSJYQG-APPZFPTMSA-N 0 0 170.208 1.261 10 0 ADAERN CC(C)(C)c1ncc(N)c(C=O)n1 214210761 571734449 /nfs/dbraw/zinc/73/44/49/571734449.db2.gz OWASMCNVHIXZOC-UHFFFAOYSA-N 0 0 179.223 1.169 10 0 ADAERN O=C1NCC2(CC3CCC3)CC1C2 214222367 571734460 /nfs/dbraw/zinc/73/44/60/571734460.db2.gz AKLUMKVXQWAAHI-UHFFFAOYSA-N 0 0 179.263 1.703 10 0 ADAERN O=C1NC[C@]2(CC3CCC3)CC[C@@H]12 214221722 571734524 /nfs/dbraw/zinc/73/45/24/571734524.db2.gz MAGYPFNUIOTQNY-GXSJLCMTSA-N 0 0 179.263 1.703 10 0 ADAERN OCC1[C@H]2CCCCC[C@H]12 24458332 571734559 /nfs/dbraw/zinc/73/45/59/571734559.db2.gz XDVSUGKAHYDXFJ-YUMQZZPRSA-N 0 0 140.226 1.805 10 0 ADAERN O=C1NC[C@]2(CC3CCC3)CC[C@H]12 214221609 571734563 /nfs/dbraw/zinc/73/45/63/571734563.db2.gz MAGYPFNUIOTQNY-MWLCHTKSSA-N 0 0 179.263 1.703 10 0 ADAERN OCC1[C@@H]2CCCCC[C@@H]12 24458316 571734575 /nfs/dbraw/zinc/73/45/75/571734575.db2.gz XDVSUGKAHYDXFJ-HTQZYQBOSA-N 0 0 140.226 1.805 10 0 ADAERN O=C1NC[C@@]2(C3CCCC3)CC[C@@H]12 214221300 571734603 /nfs/dbraw/zinc/73/46/03/571734603.db2.gz MYAQVNUTHOAYCR-GXSJLCMTSA-N 0 0 179.263 1.703 10 0 ADAERN O=C1NC[C@]2(C3CCCC3)CC[C@@H]12 214221242 571734608 /nfs/dbraw/zinc/73/46/08/571734608.db2.gz MYAQVNUTHOAYCR-ONGXEEELSA-N 0 0 179.263 1.703 10 0 ADAERN Cc1cccc2c1OC(=S)NC2 214216737 571734629 /nfs/dbraw/zinc/73/46/29/571734629.db2.gz AWGDORGTOGMEFN-UHFFFAOYSA-N 0 0 179.244 1.762 10 0 ADAERN CCOc1cc(C)nc(C[C@@H](C)O)n1 725419257 571734635 /nfs/dbraw/zinc/73/46/35/571734635.db2.gz AUAASNZHVYCUTP-MRVPVSSYSA-N 0 0 196.250 1.107 10 0 ADAERN Cc1cccc2c1CNC(=S)O2 214216893 571734660 /nfs/dbraw/zinc/73/46/60/571734660.db2.gz ZNUKOVLKAKHSEA-UHFFFAOYSA-N 0 0 179.244 1.762 10 0 ADAERN C[C@H](O)CCCN1CCSC1 687798885 571735191 /nfs/dbraw/zinc/73/51/91/571735191.db2.gz NKFSIEXQTBAMEK-QMMMGPOBSA-N 0 0 175.297 1.154 10 0 ADAERN 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O=Cc1noc2ncccc12 24781754 571739507 /nfs/dbraw/zinc/73/95/07/571739507.db2.gz BKSRTLLOFCAUEH-UHFFFAOYSA-N 0 0 148.121 1.035 10 0 ADAERN CC(C)C[C@H](C)[C@H](O)c1cnnn1C 301002445 571741893 /nfs/dbraw/zinc/74/18/93/571741893.db2.gz XHJNOSLWODFTEC-WPRPVWTQSA-N 0 0 197.282 1.531 10 0 ADAERN CC[C@](C)(CO)NCC(F)F 70901307 571739712 /nfs/dbraw/zinc/73/97/12/571739712.db2.gz VYIXPVLTVOAQIS-SSDOTTSWSA-N 0 0 167.199 1.002 10 0 ADAERN Clc1ccnc(-n2cncn2)c1 214251123 571739721 /nfs/dbraw/zinc/73/97/21/571739721.db2.gz RSLLZVCIQYDTRV-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Oc1cccc2c1NC(=S)NC2 214242507 571739783 /nfs/dbraw/zinc/73/97/83/571739783.db2.gz RROCRYUOCQXCNV-UHFFFAOYSA-N 0 0 180.232 1.192 10 0 ADAERN CC(C)(CO)CCCCCO 113225101 571739839 /nfs/dbraw/zinc/73/98/39/571739839.db2.gz JIOARKLKJAPCRO-UHFFFAOYSA-N 0 0 160.257 1.558 10 0 ADAERN OCc1occ2ccccc12 24737928 571739928 /nfs/dbraw/zinc/73/99/28/571739928.db2.gz LQOQARMWPVWBJX-UHFFFAOYSA-N 0 0 148.161 1.925 10 0 ADAERN Nc1ccc2c(c1)OC(=S)OC2 214264458 571739932 /nfs/dbraw/zinc/73/99/32/571739932.db2.gz JZCMYYVLERGHGG-UHFFFAOYSA-N 0 0 181.216 1.463 10 0 ADAERN Nc1cccc2c1OC(=S)NC2 214242086 571739937 /nfs/dbraw/zinc/73/99/37/571739937.db2.gz UAKAZDLTNMEOOZ-UHFFFAOYSA-N 0 0 180.232 1.036 10 0 ADAERN CCOC(=O)/C=C\c1ccccc1N 13402377 571742632 /nfs/dbraw/zinc/74/26/32/571742632.db2.gz ZKIDAZQBINIQSP-FPLPWBNLSA-N 0 0 191.230 1.845 10 0 ADAERN CC(C)CC[C@@H](C)N1CCNCC1=O 70937150 571743400 /nfs/dbraw/zinc/74/34/00/571743400.db2.gz HTWWXAPFUXGCSS-SNVBAGLBSA-N 0 0 198.310 1.243 10 0 ADAERN Nc1cccc2c1COC(=S)O2 214264618 571740100 /nfs/dbraw/zinc/74/01/00/571740100.db2.gz CLIVRMIUIAWIRS-UHFFFAOYSA-N 0 0 181.216 1.463 10 0 ADAERN O[C@@H]1CC2C3CC=CCC2C3C[C@H]1O 196061565 571740143 /nfs/dbraw/zinc/74/01/43/571740143.db2.gz FHKXWOIKAXGTBI-SKHQMIITSA-N 0 0 194.274 1.330 10 0 ADAERN CNCc1nnc(NCC2(C)CC2)o1 234417304 571743927 /nfs/dbraw/zinc/74/39/27/571743927.db2.gz BKZHASCMYQSIJE-UHFFFAOYSA-N 0 0 196.254 1.001 10 0 ADAERN 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CC[C@H](O)[C@H]1CCCN(C(C)=O)CC1 214291055 571744757 /nfs/dbraw/zinc/74/47/57/571744757.db2.gz XKWMEHYJWGOXBH-QWRGUYRKSA-N 0 0 199.294 1.406 10 0 ADAERN Cc1cc2cccnc2sc1=O 138801037 571744829 /nfs/dbraw/zinc/74/48/29/571744829.db2.gz ZVSGXPWDLFXWEK-UHFFFAOYSA-N 0 0 177.228 1.965 10 0 ADAERN C[C@@H](CCO)Oc1ccc(O)cc1 214299845 571744845 /nfs/dbraw/zinc/74/48/45/571744845.db2.gz MCAFMRRKHNWSMP-QMMMGPOBSA-N 0 0 182.219 1.542 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]1CCCCC[N@@H+]1C 214289458 571744870 /nfs/dbraw/zinc/74/48/70/571744870.db2.gz LEPNCRYWZSSPFH-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CCc1cc(CO)c(O)cc1OC 214299464 571744880 /nfs/dbraw/zinc/74/48/80/571744880.db2.gz RNWSCUHCNICIAC-UHFFFAOYSA-N 0 0 182.219 1.456 10 0 ADAERN C[C@@]1(C[C@@H](NN)C2CC2)CC1(F)F 689338670 571744881 /nfs/dbraw/zinc/74/48/81/571744881.db2.gz IBBHAWWIBXPTEZ-HTQZYQBOSA-N 0 0 190.237 1.664 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]1CCCCC[N@@H+]1C 214289260 571744884 /nfs/dbraw/zinc/74/48/84/571744884.db2.gz 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C=CC(=O)N[C@@H](CC)c1nccs1 70732123 571744932 /nfs/dbraw/zinc/74/49/32/571744932.db2.gz MZMCZQSQZGZYCB-ZETCQYMHSA-N 0 0 196.275 1.896 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@@H]1CCC[N@H+](C)C1 214291947 571744940 /nfs/dbraw/zinc/74/49/40/571744940.db2.gz IRUJSGCORPMYBE-NXEZZACHSA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@H](CCC(=O)[O-])[C@H]1CCC[N@@H+]1C 214290330 571744946 /nfs/dbraw/zinc/74/49/46/571744946.db2.gz HNSVPCMQAGSQKG-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]1CCCC[N@H+](C)C1 214288896 571744958 /nfs/dbraw/zinc/74/49/58/571744958.db2.gz BLKPSKPHURUWAV-VHSXEESVSA-N 0 0 199.294 1.829 10 0 ADAERN Oc1ccc2c(c1)OC(=S)OC2 214298962 571744990 /nfs/dbraw/zinc/74/49/90/571744990.db2.gz JAIGUYREQASJFE-UHFFFAOYSA-N 0 0 182.200 1.586 10 0 ADAERN C[C@@]1(C[C@H](NN)C2CC2)CC1(F)F 689338672 571745103 /nfs/dbraw/zinc/74/51/03/571745103.db2.gz IBBHAWWIBXPTEZ-JGVFFNPUSA-N 0 0 190.237 1.664 10 0 ADAERN C=CC(=O)N(CC1CC1)C1CC1 70736395 571745109 /nfs/dbraw/zinc/74/51/09/571745109.db2.gz WPBZEFZYCZONGY-UHFFFAOYSA-N 0 0 165.236 1.573 10 0 ADAERN CC[C@H](O)[C@@H]1CCCN(C(C)=O)CC1 214290936 571745118 /nfs/dbraw/zinc/74/51/18/571745118.db2.gz XKWMEHYJWGOXBH-MNOVXSKESA-N 0 0 199.294 1.406 10 0 ADAERN CC(=O)CC(=O)N(CC1CC1)C1CC1 70736514 571745120 /nfs/dbraw/zinc/74/51/20/571745120.db2.gz TYZKKSAHVDFQIU-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN CC(=O)N1CCC[C@H]([C@H](O)C(C)C)C1 214291808 571745176 /nfs/dbraw/zinc/74/51/76/571745176.db2.gz FFTLYNQLQFMXTP-WDEREUQCSA-N 0 0 199.294 1.262 10 0 ADAERN Oc1ccc2c(c1)COC(=S)O2 214298882 571745197 /nfs/dbraw/zinc/74/51/97/571745197.db2.gz KIUBHBDKJBBDPP-UHFFFAOYSA-N 0 0 182.200 1.586 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]1CCCCC[N@@H+]1C 214289152 571745585 /nfs/dbraw/zinc/74/55/85/571745585.db2.gz VHACBNLADFWKSK-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](CCC(=O)[O-])[C@@H]1CCC[N@@H+]1C 214290215 571745268 /nfs/dbraw/zinc/74/52/68/571745268.db2.gz HNSVPCMQAGSQKG-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@]1(C[C@@H](NN)C2CC2)CC1(F)F 689338678 571745278 /nfs/dbraw/zinc/74/52/78/571745278.db2.gz IBBHAWWIBXPTEZ-SFYZADRCSA-N 0 0 190.237 1.664 10 0 ADAERN C[C@@H](CCO)Oc1ccccc1O 214299704 571745320 /nfs/dbraw/zinc/74/53/20/571745320.db2.gz FFFXHWZVEAKWPP-QMMMGPOBSA-N 0 0 182.219 1.542 10 0 ADAERN O=C(C1CC1)[C@H]1C[C@H]2CC[C@@H]1O2 70735846 571745367 /nfs/dbraw/zinc/74/53/67/571745367.db2.gz CCIVVUGXJWNFEI-VGMNWLOBSA-N 0 0 166.220 1.533 10 0 ADAERN C[C@H](CNc1ccccc1)C(N)=O 37227080 571745422 /nfs/dbraw/zinc/74/54/22/571745422.db2.gz QIBGXVAJWSYKJY-MRVPVSSYSA-N 0 0 178.235 1.220 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@@H]1CCCC[N@@H+]1C 214289961 571745426 /nfs/dbraw/zinc/74/54/26/571745426.db2.gz NSQOXMXEGMVMMB-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@@H]1CCCC[N@@H+]1C 214289707 571745457 /nfs/dbraw/zinc/74/54/57/571745457.db2.gz NKYQJHYXJXXXNO-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CCCSC[C@](C)(O)C(=O)OC 70713428 571745481 /nfs/dbraw/zinc/74/54/81/571745481.db2.gz CRRUMCWDDMTBBA-QMMMGPOBSA-N 0 0 192.280 1.054 10 0 ADAERN CCn1cc(CCCC(C)=O)cn1 70738639 571745503 /nfs/dbraw/zinc/74/55/03/571745503.db2.gz HZIXGFPJJKSWJN-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN O=CCCc1ccncc1 140939132 571745514 /nfs/dbraw/zinc/74/55/14/571745514.db2.gz BZTRSSTYEMLIQT-XFSBKJJWSA-N 0 0 135.166 1.696 10 0 ADAERN C=CC(=O)N[C@H](CC)c1nccs1 70732124 571745531 /nfs/dbraw/zinc/74/55/31/571745531.db2.gz MZMCZQSQZGZYCB-SSDOTTSWSA-N 0 0 196.275 1.896 10 0 ADAERN CC[C@@H]1[C@@H](CC)C12OCCO2 204991317 571745545 /nfs/dbraw/zinc/74/55/45/571745545.db2.gz LTKVPLCTXBVHCC-HTQZYQBOSA-N 0 0 156.225 1.796 10 0 ADAERN CC[C@@H](C)CNC(=O)C(F)F 233854784 571745556 /nfs/dbraw/zinc/74/55/56/571745556.db2.gz HZFQUBNPVYJZSN-RXMQYKEDSA-N 0 0 165.183 1.414 10 0 ADAERN COc1cc(OC)c([C@H](C)[NH3+])cn1 214301716 571745561 /nfs/dbraw/zinc/74/55/61/571745561.db2.gz LREWFQWMYYCGAI-LURJTMIESA-N 0 0 182.223 1.119 10 0 ADAERN COC(=O)[C@](C)(O)CSC(C)C 70713503 571745564 /nfs/dbraw/zinc/74/55/64/571745564.db2.gz KIJHPRNXHQUHPD-MRVPVSSYSA-N 0 0 192.280 1.052 10 0 ADAERN C[C@H](CCO)Oc1ccc(O)cc1 214299895 571745569 /nfs/dbraw/zinc/74/55/69/571745569.db2.gz MCAFMRRKHNWSMP-MRVPVSSYSA-N 0 0 182.219 1.542 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@H+](CC1CC1)C1CC1 70736660 571745567 /nfs/dbraw/zinc/74/55/67/571745567.db2.gz YMUNWQGETIYZAH-JTQLQIEISA-N 0 0 197.278 1.724 10 0 ADAERN COc1ccc(C)c(OC)c1CO 214299535 571745630 /nfs/dbraw/zinc/74/56/30/571745630.db2.gz IUMWSIXOWZOBEE-UHFFFAOYSA-N 0 0 182.219 1.505 10 0 ADAERN C[C@@H](CCO)Oc1cccc(O)c1 214299983 571745636 /nfs/dbraw/zinc/74/56/36/571745636.db2.gz DPPGYOMWCASNLP-QMMMGPOBSA-N 0 0 182.219 1.542 10 0 ADAERN CCc1ccc(O)c(C=O)n1 140997379 571745918 /nfs/dbraw/zinc/74/59/18/571745918.db2.gz MPANAPUWSLRXGJ-UHFFFAOYSA-N 0 0 151.165 1.162 10 0 ADAERN COc1cc(CO)c(OC)cc1C=O 13546460 571745922 /nfs/dbraw/zinc/74/59/22/571745922.db2.gz ZGAUVWIZQBEQKD-UHFFFAOYSA-N 0 0 196.202 1.009 10 0 ADAERN Cn1cc(CCCC(=O)C2CC2)cn1 70739834 571747173 /nfs/dbraw/zinc/74/71/73/571747173.db2.gz FCYOTORKKZVBBM-UHFFFAOYSA-N 0 0 192.262 1.722 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[C@H]1CCC[N@@H+]1C 214290575 571746052 /nfs/dbraw/zinc/74/60/52/571746052.db2.gz NKQBFROXOZJBFU-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN O=C(C1CC1)[C@@H]1C[C@H]2CC[C@@H]1O2 70735844 571746153 /nfs/dbraw/zinc/74/61/53/571746153.db2.gz CCIVVUGXJWNFEI-HLTSFMKQSA-N 0 0 166.220 1.533 10 0 ADAERN CCOC(Cc1c[nH]cn1)OCC 686117305 571746181 /nfs/dbraw/zinc/74/61/81/571746181.db2.gz RFIHMEIOYTWLMH-UHFFFAOYSA-N 0 0 184.239 1.351 10 0 ADAERN C[C@@H](CNc1ccccc1)C(N)=O 37227079 571746183 /nfs/dbraw/zinc/74/61/83/571746183.db2.gz QIBGXVAJWSYKJY-QMMMGPOBSA-N 0 0 178.235 1.220 10 0 ADAERN CC(=O)N1CCC([C@H](O)C(C)C)CC1 214291247 571746189 /nfs/dbraw/zinc/74/61/89/571746189.db2.gz UHYISFHHEBKCDU-LLVKDONJSA-N 0 0 199.294 1.262 10 0 ADAERN COc1cc(OC)c([C@@H](C)[NH3+])cn1 214301777 571746192 /nfs/dbraw/zinc/74/61/92/571746192.db2.gz LREWFQWMYYCGAI-ZCFIWIBFSA-N 0 0 182.223 1.119 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@H]1CCC[N@H+](C)C1 214292058 571746214 /nfs/dbraw/zinc/74/62/14/571746214.db2.gz IRUJSGCORPMYBE-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](CCO)Oc1ccccc1O 214299763 571746221 /nfs/dbraw/zinc/74/62/21/571746221.db2.gz FFFXHWZVEAKWPP-MRVPVSSYSA-N 0 0 182.219 1.542 10 0 ADAERN CC[C@@H](CCC(=O)[O-])[C@H]1CCC[N@@H+]1C 214290270 571746230 /nfs/dbraw/zinc/74/62/30/571746230.db2.gz HNSVPCMQAGSQKG-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H](CCO)Oc1cccc(O)c1 214300041 571746274 /nfs/dbraw/zinc/74/62/74/571746274.db2.gz DPPGYOMWCASNLP-MRVPVSSYSA-N 0 0 182.219 1.542 10 0 ADAERN CC[C@@H](CCC(=O)[O-])[C@H]1CC[N@H+](C)C1 214292404 571746289 /nfs/dbraw/zinc/74/62/89/571746289.db2.gz UDQQIKYNSPGYIS-UWVGGRQHSA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)N1CCC([C@@H](O)C(C)C)CC1 214291197 571746314 /nfs/dbraw/zinc/74/63/14/571746314.db2.gz UHYISFHHEBKCDU-NSHDSACASA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@H]1[C@H](CC)C12OCCO2 204991301 571746321 /nfs/dbraw/zinc/74/63/21/571746321.db2.gz LTKVPLCTXBVHCC-YUMQZZPRSA-N 0 0 156.225 1.796 10 0 ADAERN COC(=O)[C@@](C)(O)CSC(C)C 70713502 571746336 /nfs/dbraw/zinc/74/63/36/571746336.db2.gz KIJHPRNXHQUHPD-QMMMGPOBSA-N 0 0 192.280 1.052 10 0 ADAERN Oc1cccc2c1OC(=S)OC2 214299047 571746343 /nfs/dbraw/zinc/74/63/43/571746343.db2.gz SMDSEUDMCJPDMA-UHFFFAOYSA-N 0 0 182.200 1.586 10 0 ADAERN CC[C@@H](CCC(=O)[O-])[C@@H]1CC[N@H+](C)C1 214292294 571746350 /nfs/dbraw/zinc/74/63/50/571746350.db2.gz UDQQIKYNSPGYIS-VHSXEESVSA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](CC1CC1)C1CC1 70736661 571746352 /nfs/dbraw/zinc/74/63/52/571746352.db2.gz YMUNWQGETIYZAH-SNVBAGLBSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@H+](CC1CC1)C1CC1 70736675 571746403 /nfs/dbraw/zinc/74/64/03/571746403.db2.gz RAQKRUKDBGGKCV-QMMMGPOBSA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@@H]([NH3+])CCCCC(=O)[O-] 13543044 571746410 /nfs/dbraw/zinc/74/64/10/571746410.db2.gz UXMZXDQTOZIONB-SSDOTTSWSA-N 0 0 159.229 1.369 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]1CCCC[N@H+](C)C1 214288819 571746417 /nfs/dbraw/zinc/74/64/17/571746417.db2.gz QEKAOQCDHWEBOG-VHSXEESVSA-N 0 0 199.294 1.829 10 0 ADAERN O=Cc1cccn1CCOC(F)F 398207176 571746434 /nfs/dbraw/zinc/74/64/34/571746434.db2.gz SEZKNJDWYZVPKG-UHFFFAOYSA-N 0 0 189.161 1.540 10 0 ADAERN C[C@@H](CCC(=O)[O-])C1CC[NH+](C)CC1 214291339 571746478 /nfs/dbraw/zinc/74/64/78/571746478.db2.gz ZPXSXEMZKSUOMT-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](CCC(=O)[O-])C1CC[NH+](C)CC1 214291405 571746492 /nfs/dbraw/zinc/74/64/92/571746492.db2.gz ZPXSXEMZKSUOMT-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)N(CC(N)=S)CC(F)F 70715825 571746578 /nfs/dbraw/zinc/74/65/78/571746578.db2.gz FXCVCIMFPFPIHN-UHFFFAOYSA-N 0 0 196.266 1.248 10 0 ADAERN CC(=O)c1cc2nc(C)[nH]c2cc1O 204974871 571746592 /nfs/dbraw/zinc/74/65/92/571746592.db2.gz FMPFCBFEDQIXCV-UHFFFAOYSA-N 0 0 190.202 1.780 10 0 ADAERN CCCn1cnc2cccnc21 140978718 571746640 /nfs/dbraw/zinc/74/66/40/571746640.db2.gz OLCRJEGGSCZGLP-UHFFFAOYSA-N 0 0 161.208 1.841 10 0 ADAERN C/C=C\[C@H](O)CC(=O)OC(C)(C)C 214306650 571746646 /nfs/dbraw/zinc/74/66/46/571746646.db2.gz WBZAGOIDYPBGKK-SLGIHZDVSA-N 0 0 186.251 1.655 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]1CCCCC[N@@H+]1C 214289314 571746653 /nfs/dbraw/zinc/74/66/53/571746653.db2.gz VHACBNLADFWKSK-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]1CCCC[N@H+](C)C1 214288656 571746673 /nfs/dbraw/zinc/74/66/73/571746673.db2.gz QEKAOQCDHWEBOG-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN CCCCC(=O)C[C@@H](O)CC 13542386 571746687 /nfs/dbraw/zinc/74/66/87/571746687.db2.gz RWFNKQUUTWDTIR-QMMMGPOBSA-N 0 0 158.241 1.907 10 0 ADAERN C[C@H](C1CC1)N(C)C(=O)n1ccnc1 32779450 571746695 /nfs/dbraw/zinc/74/66/95/571746695.db2.gz GMGJHUUUIZSNOW-MRVPVSSYSA-N 0 0 193.250 1.582 10 0 ADAERN Cn1c(N)cc2ncc(Cl)cc21 214292213 571746701 /nfs/dbraw/zinc/74/67/01/571746701.db2.gz IFYUGHLIRQOGTO-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN CC[C@@H](CC(=O)[O-])[C@@H]1CCCC[N@@H+]1C 214289654 571746704 /nfs/dbraw/zinc/74/67/04/571746704.db2.gz NKYQJHYXJXXXNO-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)N1CCC[C@H]([C@@H](O)C(C)C)C1 214291749 571746743 /nfs/dbraw/zinc/74/67/43/571746743.db2.gz FFTLYNQLQFMXTP-QWRGUYRKSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]1CCCC[N@H+](C)C1 214288761 571746753 /nfs/dbraw/zinc/74/67/53/571746753.db2.gz QEKAOQCDHWEBOG-UWVGGRQHSA-N 0 0 199.294 1.829 10 0 ADAERN CO[PH](C)(OC)OC 140921634 571746773 /nfs/dbraw/zinc/74/67/73/571746773.db2.gz LYCZOCGFFLORJK-UHFFFAOYSA-N 0 0 140.119 1.050 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@H]1CCCC[N@@H+]1C 214289821 571746778 /nfs/dbraw/zinc/74/67/78/571746778.db2.gz NKYQJHYXJXXXNO-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]1CCCC[N@H+](C)C1 214289006 571746781 /nfs/dbraw/zinc/74/67/81/571746781.db2.gz BLKPSKPHURUWAV-UWVGGRQHSA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)N1CCC[C@@H]([C@H](O)C(C)C)C1 214291689 571746814 /nfs/dbraw/zinc/74/68/14/571746814.db2.gz FFTLYNQLQFMXTP-GHMZBOCLSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@@H]1CCCC[N@@H+]1C 214289904 571746852 /nfs/dbraw/zinc/74/68/52/571746852.db2.gz NSQOXMXEGMVMMB-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC1(C)Cc2ncsc2C(=O)N1 140972643 571746855 /nfs/dbraw/zinc/74/68/55/571746855.db2.gz WJNZPCLQDZCTLA-UHFFFAOYSA-N 0 0 182.248 1.208 10 0 ADAERN COc1ccc(C)nc1CN(C)O 214300695 571746862 /nfs/dbraw/zinc/74/68/62/571746862.db2.gz YSLYDNGVUIUNQM-UHFFFAOYSA-N 0 0 182.223 1.220 10 0 ADAERN C/C=C\[C@@H](C)C[C@@H](C[NH3+])CC(=O)[O-] 141110591 571746891 /nfs/dbraw/zinc/74/68/91/571746891.db2.gz HEHWAGOHHVUWGC-UREXNXCXSA-N 0 0 185.267 1.638 10 0 ADAERN CO[C@H](C)[C@@H]1C(=O)CCN1C1CCC1 712344870 571746904 /nfs/dbraw/zinc/74/69/04/571746904.db2.gz DKFNJUSSQAKAQI-LDYMZIIASA-N 0 0 197.278 1.217 10 0 ADAERN CCn1nccc1CCC(=O)C1CC1 70739753 571747026 /nfs/dbraw/zinc/74/70/26/571747026.db2.gz GYCXPEBYDHTKIG-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN O=C(CCc1cccnc1)C1CC1 70739831 571748201 /nfs/dbraw/zinc/74/82/01/571748201.db2.gz JGXLZCKRMIFYRC-UHFFFAOYSA-N 0 0 175.231 1.993 10 0 ADAERN C=CS(=O)(=O)C[C@H](C)CC 233847284 571747088 /nfs/dbraw/zinc/74/70/88/571747088.db2.gz PCCATBSXHMRKJU-SSDOTTSWSA-N 0 0 162.254 1.591 10 0 ADAERN CCn1ccnc1CCC(=O)C1CC1 70739756 571747120 /nfs/dbraw/zinc/74/71/20/571747120.db2.gz ULVARRUVGJHAQU-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN CC(C)C(=O)CCCc1cnn(C)c1 70739603 571747153 /nfs/dbraw/zinc/74/71/53/571747153.db2.gz VOHXQRITAOGTSC-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN C[C@@H](O)[C@@H](C)SCc1cnccn1 235299233 571747158 /nfs/dbraw/zinc/74/71/58/571747158.db2.gz QOVCDESZZPPLEF-HTQZYQBOSA-N 0 0 198.291 1.479 10 0 ADAERN Cn1nccc1CCC(=O)C1CC1 70739906 571747222 /nfs/dbraw/zinc/74/72/22/571747222.db2.gz YATMFLJLGMQZIX-UHFFFAOYSA-N 0 0 178.235 1.332 10 0 ADAERN CC[C@@H](C)Oc1cc(=O)[nH]c(C)n1 233854972 571747242 /nfs/dbraw/zinc/74/72/42/571747242.db2.gz QMZZDDHCUVBGQY-ZCFIWIBFSA-N 0 0 182.223 1.668 10 0 ADAERN OCc1cc2ncc(Cl)cc2[nH]1 214317492 571747252 /nfs/dbraw/zinc/74/72/52/571747252.db2.gz QWDPCDYKSGIVAN-UHFFFAOYSA-N 0 0 182.610 1.709 10 0 ADAERN C[C@@H]1C[C@@H]1[NH2+]Cc1occc1C(=O)[O-] 235299687 571747253 /nfs/dbraw/zinc/74/72/53/571747253.db2.gz WLVXGVXMQSHHOQ-SVRRBLITSA-N 0 0 195.218 1.476 10 0 ADAERN CCCn1nccc1CCC(C)=O 70738742 571747265 /nfs/dbraw/zinc/74/72/65/571747265.db2.gz QXCOTQQUHHHDOJ-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN CCCCC[C@H](O)[C@@H](O)CCCO 141047756 571748218 /nfs/dbraw/zinc/74/82/18/571748218.db2.gz ACDWYWLYADHZOB-UWVGGRQHSA-N 0 0 190.283 1.061 10 0 ADAERN C[N@H+](CCC1(C(=O)[O-])CC1)C1CC1 214347655 571747275 /nfs/dbraw/zinc/74/72/75/571747275.db2.gz IMYXECHCPIKOSC-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN CC[C@@H](C)Cn1ncc(C)c1N 37227933 571747293 /nfs/dbraw/zinc/74/72/93/571747293.db2.gz KKCPQGFUDOCKFK-SSDOTTSWSA-N 0 0 167.256 1.820 10 0 ADAERN CCC(=O)CCc1cc(C)cnc1N 70739225 571747301 /nfs/dbraw/zinc/74/73/01/571747301.db2.gz NLJJAWDSIJMCSW-UHFFFAOYSA-N 0 0 192.262 1.884 10 0 ADAERN CCCC(=O)CCc1ccnn1C 70739481 571747310 /nfs/dbraw/zinc/74/73/10/571747310.db2.gz VXHDLWYYXFQBNJ-UHFFFAOYSA-N 0 0 180.251 1.722 10 0 ADAERN CCC(=O)CCc1cnccn1 70739219 571747313 /nfs/dbraw/zinc/74/73/13/571747313.db2.gz SUJWNPDTTYLGTF-UHFFFAOYSA-N 0 0 164.208 1.388 10 0 ADAERN COc1ccc([C@@H](CO)CF)cc1 214374856 571747333 /nfs/dbraw/zinc/74/73/33/571747333.db2.gz DAWTUJWQEWXUBM-SECBINFHSA-N 0 0 184.210 1.741 10 0 ADAERN CCC(=O)CCCc1cccnc1N 70739077 571747338 /nfs/dbraw/zinc/74/73/38/571747338.db2.gz VTGIRLCFYSHVKA-UHFFFAOYSA-N 0 0 192.262 1.966 10 0 ADAERN O=C([O-])C1(C[NH+]2CCC2)CCCC1 214347576 571747340 /nfs/dbraw/zinc/74/73/40/571747340.db2.gz HEYQETMNQAAGMO-UHFFFAOYSA-N 0 0 183.251 1.337 10 0 ADAERN [NH3+]C1([C@H]2CCCC[C@H]2C(=O)[O-])CC1 214345489 571747358 /nfs/dbraw/zinc/74/73/58/571747358.db2.gz XPJAGRRFTWOESN-SFYZADRCSA-N 0 0 183.251 1.369 10 0 ADAERN CCC(=O)C[S@@](=O)C[C@H](C)CC 233842516 571747359 /nfs/dbraw/zinc/74/73/59/571747359.db2.gz HJTUAIICJVAYBN-PELKAZGASA-N 0 0 190.308 1.760 10 0 ADAERN CCCC[C@@H](CC(=O)[O-])[C@@H](C)[NH3+] 13641454 571747362 /nfs/dbraw/zinc/74/73/62/571747362.db2.gz JPCOHXKCCIRPJX-SFYZADRCSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H](C1CC1)N(C)C(=O)n1ccnc1 32779449 571747402 /nfs/dbraw/zinc/74/74/02/571747402.db2.gz GMGJHUUUIZSNOW-QMMMGPOBSA-N 0 0 193.250 1.582 10 0 ADAERN C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CCC2)C1 214347262 571747407 /nfs/dbraw/zinc/74/74/07/571747407.db2.gz YMPLOFWPCSXJAN-DTWKUNHWSA-N 0 0 183.251 1.049 10 0 ADAERN CC(=O)CCCc1cccnc1N 70738659 571747438 /nfs/dbraw/zinc/74/74/38/571747438.db2.gz YREJGTKEEOPYNZ-UHFFFAOYSA-N 0 0 178.235 1.576 10 0 ADAERN O=C1NCCC2(CCCCCC2)N1 214311630 571747439 /nfs/dbraw/zinc/74/74/39/571747439.db2.gz JBQBADTXYMISCX-UHFFFAOYSA-N 0 0 182.267 1.782 10 0 ADAERN CC[C@H]1CC(=O)NO1 140833190 571747479 /nfs/dbraw/zinc/74/74/79/571747479.db2.gz YGJPWMLGISMJJS-BYPYZUCNSA-N 0 0 115.132 1.057 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]CC[C@@H]1C1CC1 214346738 571747491 /nfs/dbraw/zinc/74/74/91/571747491.db2.gz RCYFXXQTXDIULI-RKDXNWHRSA-N 0 0 183.251 1.097 10 0 ADAERN CCCC(=O)CCc1cncnc1 70739281 571747508 /nfs/dbraw/zinc/74/75/08/571747508.db2.gz YKSHKPQMRSIAJJ-UHFFFAOYSA-N 0 0 178.235 1.778 10 0 ADAERN CCCC[C@@H]1C=C[C@@H](CO)C[C@@H]1O 214336978 571747559 /nfs/dbraw/zinc/74/75/59/571747559.db2.gz NYJSRMQRIODCGQ-MXWKQRLJSA-N 0 0 184.279 1.722 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C2CC2)C1 214347134 571747626 /nfs/dbraw/zinc/74/76/26/571747626.db2.gz IGUFOESRRUBION-BDAKNGLRSA-N 0 0 183.251 1.049 10 0 ADAERN O=C(CC[C@H]1CCOC1)C1CC1 70739824 571747629 /nfs/dbraw/zinc/74/76/29/571747629.db2.gz IEVUGGCLPXKXCM-QMMMGPOBSA-N 0 0 168.236 1.782 10 0 ADAERN Cc1ncc2c(c1O)COCOC2 140865185 571747700 /nfs/dbraw/zinc/74/77/00/571747700.db2.gz YJSRGCIKKTVSAW-UHFFFAOYSA-N 0 0 181.191 1.100 10 0 ADAERN CCCC(=O)CCc1cccnc1N 70739441 571747757 /nfs/dbraw/zinc/74/77/57/571747757.db2.gz RMGGTPNYJSLSEJ-UHFFFAOYSA-N 0 0 192.262 1.966 10 0 ADAERN CC(=O)N/C=C\c1ccc(F)cc1 214316440 571747769 /nfs/dbraw/zinc/74/77/69/571747769.db2.gz LGHVZLQRJXDXHW-SREVYHEPSA-N 0 0 179.194 1.933 10 0 ADAERN CC(C)C(=O)CCc1cccnc1N 70739678 571747778 /nfs/dbraw/zinc/74/77/78/571747778.db2.gz YGKYVQHBEVWUSE-UHFFFAOYSA-N 0 0 192.262 1.822 10 0 ADAERN C[C@@H](O)[C@@H](C)SCc1ncon1 235300127 571747845 /nfs/dbraw/zinc/74/78/45/571747845.db2.gz ISTQPYZCZUAQMC-PHDIDXHHSA-N 0 0 188.252 1.072 10 0 ADAERN CO[C@H](C)[C@H]1C(=O)CCN1C1CCC1 712344868 571747855 /nfs/dbraw/zinc/74/78/55/571747855.db2.gz DKFNJUSSQAKAQI-KCJUWKMLSA-N 0 0 197.278 1.217 10 0 ADAERN COc1cc(CNO)cc(O)c1C 214328053 571747922 /nfs/dbraw/zinc/74/79/22/571747922.db2.gz TVLYOHCQYOPKQY-UHFFFAOYSA-N 0 0 183.207 1.188 10 0 ADAERN CCC(=O)CCc1nccn1C 70739247 571747960 /nfs/dbraw/zinc/74/79/60/571747960.db2.gz RMHKFEJSADCTBH-UHFFFAOYSA-N 0 0 166.224 1.332 10 0 ADAERN CC[C@H]1[C@@H](CC)C12OCCO2 204991285 571747965 /nfs/dbraw/zinc/74/79/65/571747965.db2.gz LTKVPLCTXBVHCC-OCAPTIKFSA-N 0 0 156.225 1.796 10 0 ADAERN CC(=O)CCCc1ccnc(N)c1 70738822 571747989 /nfs/dbraw/zinc/74/79/89/571747989.db2.gz YZSVTZKWXIWZQT-UHFFFAOYSA-N 0 0 178.235 1.576 10 0 ADAERN O=C(CCc1cnccn1)C1CC1 70739884 571748014 /nfs/dbraw/zinc/74/80/14/571748014.db2.gz ONRQLWDLDAQFQE-UHFFFAOYSA-N 0 0 176.219 1.388 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]C[C@@H]1CC1CC1 214348260 571748025 /nfs/dbraw/zinc/74/80/25/571748025.db2.gz YGUOKLXQFLOSAQ-DTWKUNHWSA-N 0 0 183.251 1.097 10 0 ADAERN COc1cccc([C@H](CO)CF)c1 214375065 571748168 /nfs/dbraw/zinc/74/81/68/571748168.db2.gz TYHYPUMYMQSTQD-VIFPVBQESA-N 0 0 184.210 1.741 10 0 ADAERN Cn1ccnc1CCC(=O)C(C)(C)C 70740089 571748044 /nfs/dbraw/zinc/74/80/44/571748044.db2.gz AKDIAVSGMGJYOX-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]C[C@H]1CC1CC1 214348082 571748060 /nfs/dbraw/zinc/74/80/60/571748060.db2.gz YGUOKLXQFLOSAQ-BDAKNGLRSA-N 0 0 183.251 1.097 10 0 ADAERN CCSC(C)(C)CCO 204992436 571748069 /nfs/dbraw/zinc/74/80/69/571748069.db2.gz PELMWLKNVFVOBH-UHFFFAOYSA-N 0 0 148.271 1.901 10 0 ADAERN CCCn1cc(CCC(C)=O)cn1 70738724 571748073 /nfs/dbraw/zinc/74/80/73/571748073.db2.gz QYHOFEAHCDGQJR-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN CCC(=O)CCCc1ccnc(N)c1 70739248 571748077 /nfs/dbraw/zinc/74/80/77/571748077.db2.gz NETFANZNTKQVIP-UHFFFAOYSA-N 0 0 192.262 1.966 10 0 ADAERN CCOc1cccc(OC(N)=O)c1 79166626 571748078 /nfs/dbraw/zinc/74/80/78/571748078.db2.gz KAFXUZAUHBEKCJ-UHFFFAOYSA-N 0 0 181.191 1.543 10 0 ADAERN O=CNc1cccc2c1CCC2 138820426 571748095 /nfs/dbraw/zinc/74/80/95/571748095.db2.gz KJBSOMHDQOLSFJ-UHFFFAOYSA-N 0 0 161.204 1.744 10 0 ADAERN CCC(=O)CCc1nccn1CC 70739073 571748123 /nfs/dbraw/zinc/74/81/23/571748123.db2.gz AQVQEORQXNEAMR-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN C[C@H](/C=C/c1ccco1)N(O)C(N)=O 13762961 571748146 /nfs/dbraw/zinc/74/81/46/571748146.db2.gz YQJQAHKVGNEMLM-SMMXGFFBSA-N 0 0 196.206 1.451 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]CC[C@H]1C1CC1 214346560 571748161 /nfs/dbraw/zinc/74/81/61/571748161.db2.gz RCYFXXQTXDIULI-IUCAKERBSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@H]1CC[C@@H]([C@]2(C)CO2)[C@@H](O)C1 138814050 571748233 /nfs/dbraw/zinc/74/82/33/571748233.db2.gz JOEZVMKNCWMKKK-IMSYWVGJSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@@H](O)[C@@H](C)SCc1ncno1 235300077 571748248 /nfs/dbraw/zinc/74/82/48/571748248.db2.gz IKAXSICNUBBNPF-PHDIDXHHSA-N 0 0 188.252 1.072 10 0 ADAERN CCn1ccnc1CCC(C)=O 70738654 571748252 /nfs/dbraw/zinc/74/82/52/571748252.db2.gz IIUFXVMDUUJZMF-UHFFFAOYSA-N 0 0 166.224 1.425 10 0 ADAERN CC1=N[C@@H](O)[C@H](C)C2(CC2)S1 138815342 571748253 /nfs/dbraw/zinc/74/82/53/571748253.db2.gz UAKMPNZHHQZOBG-FSPLSTOPSA-N 0 0 171.265 1.639 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]C[C@@H]1C1CCC1 214346886 571748268 /nfs/dbraw/zinc/74/82/68/571748268.db2.gz WXRMFEFBXVWZJJ-DTWKUNHWSA-N 0 0 183.251 1.097 10 0 ADAERN CC(C)C(=O)CCc1ccnn1C 70739706 571748326 /nfs/dbraw/zinc/74/83/26/571748326.db2.gz LTAZDIWOSZMFJS-UHFFFAOYSA-N 0 0 180.251 1.578 10 0 ADAERN CCC(=O)CCCc1cnn(C)c1 70739151 571748607 /nfs/dbraw/zinc/74/86/07/571748607.db2.gz HBUJBIUTRDOTQN-UHFFFAOYSA-N 0 0 180.251 1.722 10 0 ADAERN CC(C)C(=O)CCc1nccn1C 70739711 571748342 /nfs/dbraw/zinc/74/83/42/571748342.db2.gz CJTBJXRRIIFZOS-UHFFFAOYSA-N 0 0 180.251 1.578 10 0 ADAERN Cn1nccc1CCC(=O)C(C)(C)C 70740087 571748372 /nfs/dbraw/zinc/74/83/72/571748372.db2.gz ZWSYIQMQXKCWOX-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN CC(C)Cn1nccc1CN(C)O 214348411 571748383 /nfs/dbraw/zinc/74/83/83/571748383.db2.gz PYRXGHVBUOMPQM-UHFFFAOYSA-N 0 0 183.255 1.360 10 0 ADAERN CN[C@@H](C)c1nnc(N(C)C(C)C)o1 234422868 571748394 /nfs/dbraw/zinc/74/83/94/571748394.db2.gz JZSQUEIOZKBXBC-ZETCQYMHSA-N 0 0 198.270 1.195 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]CC[C@@H]1C1CC1 214346613 571748416 /nfs/dbraw/zinc/74/84/16/571748416.db2.gz RCYFXXQTXDIULI-BDAKNGLRSA-N 0 0 183.251 1.097 10 0 ADAERN O=C([O-])C1([NH+]2CCC2)CCCCC1 214347402 571748419 /nfs/dbraw/zinc/74/84/19/571748419.db2.gz JXHQXHUUMQDBLK-UHFFFAOYSA-N 0 0 183.251 1.480 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@H]1CC1CC1 214347940 571748441 /nfs/dbraw/zinc/74/84/41/571748441.db2.gz QEKRSDAKVZOMSP-DTWKUNHWSA-N 0 0 183.251 1.097 10 0 ADAERN CC(=O)C1(C2(C)OCCO2)CC1 138813505 571748476 /nfs/dbraw/zinc/74/84/76/571748476.db2.gz DESUABVLAVXGOR-UHFFFAOYSA-N 0 0 170.208 1.119 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]CC[C@H]1C1CC1 214346682 571748482 /nfs/dbraw/zinc/74/84/82/571748482.db2.gz RCYFXXQTXDIULI-DTWKUNHWSA-N 0 0 183.251 1.097 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]CC[C@@H]1CC1CC1 214347883 571748485 /nfs/dbraw/zinc/74/84/85/571748485.db2.gz QEKRSDAKVZOMSP-BDAKNGLRSA-N 0 0 183.251 1.097 10 0 ADAERN CC1(C)OC(=O)[C@H](N)c2ccccc21 138817740 571748490 /nfs/dbraw/zinc/74/84/90/571748490.db2.gz KWQBAGGEFXYAFN-SECBINFHSA-N 0 0 191.230 1.478 10 0 ADAERN COc1ccccc1[C@H](CO)CF 214374763 571748497 /nfs/dbraw/zinc/74/84/97/571748497.db2.gz LYXRHZQDUCBMGC-QMMMGPOBSA-N 0 0 184.210 1.741 10 0 ADAERN O=C1NCc2ccc(Cl)cc2N1 214317579 571748501 /nfs/dbraw/zinc/74/85/01/571748501.db2.gz PTBGWCCAZSAOMY-UHFFFAOYSA-N 0 0 182.610 1.975 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C2CC2)C1 214347080 571748525 /nfs/dbraw/zinc/74/85/25/571748525.db2.gz IGUFOESRRUBION-IUCAKERBSA-N 0 0 183.251 1.049 10 0 ADAERN OCc1ccc2c(CO)cccc2c1 138812494 571748563 /nfs/dbraw/zinc/74/85/63/571748563.db2.gz MRLYBLJQUZGQKE-UHFFFAOYSA-N 0 0 188.226 1.824 10 0 ADAERN Cc1cscc1[C@@H]1COCCN1 214353291 571748573 /nfs/dbraw/zinc/74/85/73/571748573.db2.gz GYUHYDLTFRCXSN-VIFPVBQESA-N 0 0 183.276 1.717 10 0 ADAERN CC(=O)OC/C=C\c1ccccc1O 214337385 571748585 /nfs/dbraw/zinc/74/85/85/571748585.db2.gz LVVKBEYERXTDCU-XQRVVYSFSA-N 0 0 192.214 1.969 10 0 ADAERN CC(C)C[P@@](=O)([O-])CCC[NH3+] 13742967 571748600 /nfs/dbraw/zinc/74/86/00/571748600.db2.gz LPDXOZQQBPOYJU-UHFFFAOYSA-N 0 0 179.200 1.262 10 0 ADAERN CC(C)C(=O)CCc1cncnc1 70739530 571748628 /nfs/dbraw/zinc/74/86/28/571748628.db2.gz OAISQZMIYWHUCH-UHFFFAOYSA-N 0 0 178.235 1.634 10 0 ADAERN CCCn1ccnc1CCC(C)=O 70738768 571748653 /nfs/dbraw/zinc/74/86/53/571748653.db2.gz XKZAVMBUUHDLCS-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN CC(C)C(=O)CCc1cnccn1 70739669 571748669 /nfs/dbraw/zinc/74/86/69/571748669.db2.gz MUSVBAWOGOONMR-UHFFFAOYSA-N 0 0 178.235 1.634 10 0 ADAERN CC(=O)CCCc1cnn(C)c1 70738729 571748678 /nfs/dbraw/zinc/74/86/78/571748678.db2.gz XZNPVWVIVDYICJ-UHFFFAOYSA-N 0 0 166.224 1.332 10 0 ADAERN COc1ccc([C@H](CO)CF)cc1 214374920 571748708 /nfs/dbraw/zinc/74/87/08/571748708.db2.gz DAWTUJWQEWXUBM-VIFPVBQESA-N 0 0 184.210 1.741 10 0 ADAERN CC(C)(C(=O)[O-])[NH+]1CC2CC(C2)C1 214346474 571748722 /nfs/dbraw/zinc/74/87/22/571748722.db2.gz HLJXUEDPWOIUKC-UHFFFAOYSA-N 0 0 183.251 1.191 10 0 ADAERN O=C(CC[C@@H]1CCOC1)C1CC1 70739821 571748734 /nfs/dbraw/zinc/74/87/34/571748734.db2.gz IEVUGGCLPXKXCM-MRVPVSSYSA-N 0 0 168.236 1.782 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]CC[C@H]1CC1CC1 214347827 571748750 /nfs/dbraw/zinc/74/87/50/571748750.db2.gz QEKRSDAKVZOMSP-IUCAKERBSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@H](C[NH+]1CC2CC(C2)C1)C(=O)[O-] 214346334 571748788 /nfs/dbraw/zinc/74/87/88/571748788.db2.gz SLZGSSOUCMEOTG-UEJVZZJDSA-N 0 0 183.251 1.049 10 0 ADAERN CCCC[P@@](=O)([O-])[C@H](C)CC[NH3+] 13743013 571748821 /nfs/dbraw/zinc/74/88/21/571748821.db2.gz AYZUSVLFFDHUGN-MRVPVSSYSA-N 0 0 193.227 1.794 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]C[C@@H]1C1CCC1 214347001 571748846 /nfs/dbraw/zinc/74/88/46/571748846.db2.gz WXRMFEFBXVWZJJ-RKDXNWHRSA-N 0 0 183.251 1.097 10 0 ADAERN C/C=C1\[C@@H](CC)[C@@H]1C(=O)OC 204982158 571748866 /nfs/dbraw/zinc/74/88/66/571748866.db2.gz YOBMPYJZQFGTQA-CTDODENGSA-N 0 0 154.209 1.762 10 0 ADAERN C=C=C[C@@H](Cc1ccccc1)C(N)=O 214344701 571748886 /nfs/dbraw/zinc/74/88/86/571748886.db2.gz WAGQPWZZKUMDDX-NSHDSACASA-N 0 0 187.242 1.672 10 0 ADAERN CCC(=O)CCc1cccnc1N 70739224 571748887 /nfs/dbraw/zinc/74/88/87/571748887.db2.gz CMIHDKFHTNBQBJ-UHFFFAOYSA-N 0 0 178.235 1.576 10 0 ADAERN O=C1CC(=Cc2ccccc2)NC1=O 214346356 571748921 /nfs/dbraw/zinc/74/89/21/571748921.db2.gz WJNKAEWMTKRUSA-RMKNXTFCSA-N 0 0 187.198 1.599 10 0 ADAERN CCC(=O)CCc1cncnc1 70739061 571748929 /nfs/dbraw/zinc/74/89/29/571748929.db2.gz MKUYVSFLGUJMGG-UHFFFAOYSA-N 0 0 164.208 1.388 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@@H]1CC1CC1 214347997 571748931 /nfs/dbraw/zinc/74/89/31/571748931.db2.gz QEKRSDAKVZOMSP-RKDXNWHRSA-N 0 0 183.251 1.097 10 0 ADAERN CCCC(=O)CCc1cnccn1 70739433 571748933 /nfs/dbraw/zinc/74/89/33/571748933.db2.gz JRKOFQLFXHTAQI-UHFFFAOYSA-N 0 0 178.235 1.778 10 0 ADAERN O=C(CCc1cncnc1)C1CC1 70739742 571748940 /nfs/dbraw/zinc/74/89/40/571748940.db2.gz XCTAMFWHBXPEDC-UHFFFAOYSA-N 0 0 176.219 1.388 10 0 ADAERN CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 38218573 571748960 /nfs/dbraw/zinc/74/89/60/571748960.db2.gz ZIKKGONIMCSXQA-XLPZGREQSA-N 0 0 153.225 1.169 10 0 ADAERN CCCC(=O)CCc1nccn1C 70739483 571749030 /nfs/dbraw/zinc/74/90/30/571749030.db2.gz UOHCJMRPYOSJEK-UHFFFAOYSA-N 0 0 180.251 1.722 10 0 ADAERN Cc1cscc1[C@H]1COCCN1 214353344 571749045 /nfs/dbraw/zinc/74/90/45/571749045.db2.gz GYUHYDLTFRCXSN-SECBINFHSA-N 0 0 183.276 1.717 10 0 ADAERN CO[C@H]1CCc2cc(=O)cccc21 138820913 571749075 /nfs/dbraw/zinc/74/90/75/571749075.db2.gz LXDCBBAQNDIYCY-NSHDSACASA-N 0 0 176.215 1.681 10 0 ADAERN Nc1ncccc1CCC(=O)C1CC1 70739889 571749086 /nfs/dbraw/zinc/74/90/86/571749086.db2.gz VAGIKFJTCAGPHD-UHFFFAOYSA-N 0 0 190.246 1.576 10 0 ADAERN CCCC[P@@](=O)([O-])[C@@H](C)CC[NH3+] 13743011 571749095 /nfs/dbraw/zinc/74/90/95/571749095.db2.gz AYZUSVLFFDHUGN-QMMMGPOBSA-N 0 0 193.227 1.794 10 0 ADAERN COC(=O)[C@@]1(NC2CCC2)CC[C@H]1C 712388432 571749214 /nfs/dbraw/zinc/74/92/14/571749214.db2.gz FRWDFJIESVDEIZ-LDYMZIIASA-N 0 0 197.278 1.470 10 0 ADAERN CC1=N[C@@H](O)[C@@H](C)C2(CC2)S1 138815215 571749251 /nfs/dbraw/zinc/74/92/51/571749251.db2.gz UAKMPNZHHQZOBG-VDTYLAMSSA-N 0 0 171.265 1.639 10 0 ADAERN O=C([O-])C1(CC[NH+]2CCC2)CCC1 214347488 571749278 /nfs/dbraw/zinc/74/92/78/571749278.db2.gz OUHYXIWFYUZTFG-UHFFFAOYSA-N 0 0 183.251 1.337 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]C[C@H]1C1CCC1 214346943 571749348 /nfs/dbraw/zinc/74/93/48/571749348.db2.gz WXRMFEFBXVWZJJ-BDAKNGLRSA-N 0 0 183.251 1.097 10 0 ADAERN CSCC[C@H]1CNC(=S)O1 205022091 571749354 /nfs/dbraw/zinc/74/93/54/571749354.db2.gz ISSUALGYVRWZCN-YFKPBYRVSA-N 0 0 177.294 1.013 10 0 ADAERN O[C@H]1CCC[C@@]12CCCS2 205032898 571749359 /nfs/dbraw/zinc/74/93/59/571749359.db2.gz DWZWGKIPJVGDCE-JGVFFNPUSA-N 0 0 158.266 1.797 10 0 ADAERN C/C=C/C(=O)OC[C@@H]1CCC[C@@H]1O 214338623 571749364 /nfs/dbraw/zinc/74/93/64/571749364.db2.gz BHWQBWLPTKXMAJ-WIYOPTIVSA-N 0 0 184.235 1.267 10 0 ADAERN C[C@@H](CCO)OC(=O)c1ccccc1 38235020 571749368 /nfs/dbraw/zinc/74/93/68/571749368.db2.gz FWFFWFOJXLWTKP-VIFPVBQESA-N 0 0 194.230 1.614 10 0 ADAERN Clc1ccc(O[C@@H]2CNOC2)cc1 141260094 571749372 /nfs/dbraw/zinc/74/93/72/571749372.db2.gz KUCIDRGFFMRWPT-SECBINFHSA-N 0 0 199.637 1.622 10 0 ADAERN Nc1nc(C2CCCC2)c(N)s1 214353940 571749395 /nfs/dbraw/zinc/74/93/95/571749395.db2.gz KSJSRNMZHQQJRJ-UHFFFAOYSA-N 0 0 183.280 1.965 10 0 ADAERN COc1cccc([C@@H](CO)CF)c1 214375010 571749418 /nfs/dbraw/zinc/74/94/18/571749418.db2.gz TYHYPUMYMQSTQD-SECBINFHSA-N 0 0 184.210 1.741 10 0 ADAERN CC[N@H+](C)[C@H]1CC[C@@H](C(=O)[O-])C1 250083702 571749421 /nfs/dbraw/zinc/74/94/21/571749421.db2.gz VBEYDZJREFLBNO-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CCCC[C@@H](NN)c1cccnc1N 229470392 571749428 /nfs/dbraw/zinc/74/94/28/571749428.db2.gz XEJUGGOCRWZCHA-SECBINFHSA-N 0 0 194.282 1.358 10 0 ADAERN C[C@H](C[NH+]1CC2CC(C2)C1)C(=O)[O-] 214346392 571749430 /nfs/dbraw/zinc/74/94/30/571749430.db2.gz SLZGSSOUCMEOTG-AFPNSQJFSA-N 0 0 183.251 1.049 10 0 ADAERN Cc1nc(Cl)nc(N)c1C 25494526 571749431 /nfs/dbraw/zinc/74/94/31/571749431.db2.gz BMOMSRIYLMTRML-UHFFFAOYSA-N 0 0 157.604 1.329 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]C[C@H]1CC1CC1 214348201 571749436 /nfs/dbraw/zinc/74/94/36/571749436.db2.gz YGUOKLXQFLOSAQ-RKDXNWHRSA-N 0 0 183.251 1.097 10 0 ADAERN CC[C@]1([C@@H]2C[C@H]2C)C(=O)CC(=O)N1C 712387778 571749446 /nfs/dbraw/zinc/74/94/46/571749446.db2.gz IMBJEXMZGZRGKO-XLDPMVHQSA-N 0 0 195.262 1.222 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]C[C@@H]1CC1CC1 214348140 571749467 /nfs/dbraw/zinc/74/94/67/571749467.db2.gz YGUOKLXQFLOSAQ-IUCAKERBSA-N 0 0 183.251 1.097 10 0 ADAERN Cc1cc(N)nc(=S)n1C 25492017 571749493 /nfs/dbraw/zinc/74/94/93/571749493.db2.gz KJJBCAWVJAIMFW-UHFFFAOYSA-N 0 0 155.226 1.040 10 0 ADAERN COC(=O)CCC[C@@H](C)CCO 214397764 571752141 /nfs/dbraw/zinc/75/21/41/571752141.db2.gz YTSWCKACEPTSGC-MRVPVSSYSA-N 0 0 174.240 1.348 10 0 ADAERN Cc1ccc(-c2c[nH]c(=O)[nH]2)o1 138843143 571750735 /nfs/dbraw/zinc/75/07/35/571750735.db2.gz YFMMROMXDSBARB-UHFFFAOYSA-N 0 0 164.164 1.271 10 0 ADAERN CCCc1c(Cl)nc(C)[nH]c1=O 25492258 571749556 /nfs/dbraw/zinc/74/95/56/571749556.db2.gz XZUOBNCWJGLQQV-UHFFFAOYSA-N 0 0 186.642 1.684 10 0 ADAERN COc1ccccc1[C@@H](CO)CF 214374706 571749588 /nfs/dbraw/zinc/74/95/88/571749588.db2.gz LYXRHZQDUCBMGC-MRVPVSSYSA-N 0 0 184.210 1.741 10 0 ADAERN CC(=O)S[C@@H]1CCC(=O)C1 138819990 571749655 /nfs/dbraw/zinc/74/96/55/571749655.db2.gz JUKFCIOVBLZZHL-SSDOTTSWSA-N 0 0 158.222 1.388 10 0 ADAERN CCOC(=O)CCCC[C@@H](C)O 14454595 571753977 /nfs/dbraw/zinc/75/39/77/571753977.db2.gz PCBIIHMJZWSPLG-MRVPVSSYSA-N 0 0 174.240 1.491 10 0 ADAERN c1nc2ccc3cc2c(n1)o3 100192922 571749709 /nfs/dbraw/zinc/74/97/09/571749709.db2.gz JFBQYUUODJFIDC-UHFFFAOYSA-N 0 0 144.133 1.814 10 0 ADAERN C[C@H](CCO)OC(=O)c1ccccc1 38235022 571749737 /nfs/dbraw/zinc/74/97/37/571749737.db2.gz FWFFWFOJXLWTKP-SECBINFHSA-N 0 0 194.230 1.614 10 0 ADAERN Cc1cccc2cc3[nH]c(=O)nc-3[nH]c12 13824583 571751134 /nfs/dbraw/zinc/75/11/34/571751134.db2.gz YZNZOJPHYDBVIZ-UHFFFAOYSA-N 0 0 199.213 1.713 10 0 in-vivo ADAERN Cc1nc(N)[nH]c(=S)c1C 25492049 571751146 /nfs/dbraw/zinc/75/11/46/571751146.db2.gz TXMPQVVMSAPEIF-UHFFFAOYSA-N 0 0 155.226 1.338 10 0 ADAERN Cc1[nH]c(=S)nc(N)c1C 25492053 571749850 /nfs/dbraw/zinc/74/98/50/571749850.db2.gz VQKNATKPSJLNQK-UHFFFAOYSA-N 0 0 155.226 1.338 10 0 ADAERN CCC[C@H](O)CC[C@H]1CCOC1 70774952 571752143 /nfs/dbraw/zinc/75/21/43/571752143.db2.gz AWKNTMMGGMQVNP-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@@H]([C@H]1C(=O)CC(=O)N1C)C(C)(C)C 712387817 571749948 /nfs/dbraw/zinc/74/99/48/571749948.db2.gz JDICZHCMSZEJGS-XVKPBYJWSA-N 0 0 197.278 1.468 10 0 ADAERN COC(=O)CCCc1cc[nH]c1 38218597 571750075 /nfs/dbraw/zinc/75/00/75/571750075.db2.gz IWUOQXNYOBSXMF-UHFFFAOYSA-N 0 0 167.208 1.510 10 0 ADAERN CC(=O)OCC[C@H](O)c1ccccc1 38235010 571750132 /nfs/dbraw/zinc/75/01/32/571750132.db2.gz FFWXGONOKFRRKL-NSHDSACASA-N 0 0 194.230 1.673 10 0 ADAERN O=C1CC[C@H]2CC=CC[C@H]12 25882300 571757278 /nfs/dbraw/zinc/75/72/78/571757278.db2.gz LOJATDUUSCWAOA-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN Clc1ccc(O[C@H]2CNOC2)cc1 141260301 571750186 /nfs/dbraw/zinc/75/01/86/571750186.db2.gz KUCIDRGFFMRWPT-VIFPVBQESA-N 0 0 199.637 1.622 10 0 ADAERN CSc1nc(=O)c2ccccc2o1 205035964 571750196 /nfs/dbraw/zinc/75/01/96/571750196.db2.gz XJFOQEMSEPSMIF-UHFFFAOYSA-N 0 0 193.227 1.910 10 0 ADAERN O=C1CO[C@@H]2CCCC[C@H]12 25878721 571757901 /nfs/dbraw/zinc/75/79/01/571757901.db2.gz FDJMYPDRQZWUDG-HTRCEHHLSA-N 0 0 140.182 1.145 10 0 ADAERN O=C(OC/C=C\CO)c1ccccc1 38234923 571750220 /nfs/dbraw/zinc/75/02/20/571750220.db2.gz OHEOYILVQDDJIW-PLNGDYQASA-N 0 0 192.214 1.392 10 0 ADAERN CC(=O)N[C@]12CC[C@H](CC1=O)C2(C)C 138847086 571751161 /nfs/dbraw/zinc/75/11/61/571751161.db2.gz XDEIUUUPFIQPTA-LDYMZIIASA-N 0 0 195.262 1.270 10 0 ADAERN C[C@@H]1CCC(=O)[C@@](C)(O)[C@@H]1C 205032435 571750293 /nfs/dbraw/zinc/75/02/93/571750293.db2.gz XXXVTDLPPAZBOX-BHNWBGBOSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@H]1CCC(=O)[C@](C)(O)[C@@H]1C 205032464 571750324 /nfs/dbraw/zinc/75/03/24/571750324.db2.gz XXXVTDLPPAZBOX-ZXFLCMHBSA-N 0 0 156.225 1.373 10 0 ADAERN C/C(=C/C[NH2+]C[C@@H]1C[C@H]1C)C(=O)[O-] 235302799 571752229 /nfs/dbraw/zinc/75/22/29/571752229.db2.gz SMJTUQUDXABIEV-IZEHPQQOSA-N 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/nfs/dbraw/zinc/75/04/70/571750470.db2.gz BSAKVJKPJIQKNP-UHFFFAOYSA-N 0 0 199.213 1.713 10 0 in-vivo ADAERN CCCCC[C@@H](O)C(=O)OCC 38234369 571750511 /nfs/dbraw/zinc/75/05/11/571750511.db2.gz OCNVZDKHNZUBQB-MRVPVSSYSA-N 0 0 174.240 1.491 10 0 ADAERN Cc1ccsc1[C@H](C[NH3+])CC(=O)[O-] 13823766 571750569 /nfs/dbraw/zinc/75/05/69/571750569.db2.gz MYDYIPWUDSWFAE-ZETCQYMHSA-N 0 0 199.275 1.574 10 0 ADAERN CC(C)OC[C@@H](O)Oc1ccccc1 38235130 571750571 /nfs/dbraw/zinc/75/05/71/571750571.db2.gz KBCWCNWTRXMGPV-NSHDSACASA-N 0 0 196.246 1.809 10 0 ADAERN CC[C@H](C)[C@@H](CC(=O)[O-])[NH+](C)C 70822509 571758889 /nfs/dbraw/zinc/75/88/89/571758889.db2.gz SGBRMXNKKZDMBH-JGVFFNPUSA-N 0 0 173.256 1.437 10 0 ADAERN CC(=O)Nc1c(C)nc(C)nc1Cl 25491543 571750636 /nfs/dbraw/zinc/75/06/36/571750636.db2.gz VSHQYOBWVNHFFB-UHFFFAOYSA-N 0 0 199.641 1.705 10 0 ADAERN CC(=O)Cn1c(C)c[nH]c1=S 25496951 571750825 /nfs/dbraw/zinc/75/08/25/571750825.db2.gz TXSVYZNYIRNPBO-UHFFFAOYSA-N 0 0 170.237 1.443 10 0 ADAERN 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YDHVXAJGJBBVGX-JTQLQIEISA-N 0 0 178.235 1.180 10 0 ADAERN Cn1nccc1CC[C@@H](O)C1CC1 70779236 571754813 /nfs/dbraw/zinc/75/48/13/571754813.db2.gz QDNYOMZMGWAEFZ-SNVBAGLBSA-N 0 0 180.251 1.124 10 0 ADAERN CC[C@H](C)C[C@](C)([NH3+])CC(=O)[O-] 13980998 571754848 /nfs/dbraw/zinc/75/48/48/571754848.db2.gz QOMLDYLGEQJULP-CBAPKCEASA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@@H](C)[C@@H](O)C(=O)OC(C)(C)C 214435637 571754865 /nfs/dbraw/zinc/75/48/65/571754865.db2.gz BDYKORLAEWHUIC-HTQZYQBOSA-N 0 0 188.267 1.735 10 0 ADAERN CC(C)[C@H]1C[N@H+](C)CC[C@@H]1C(=O)[O-] 214423552 571754878 /nfs/dbraw/zinc/75/48/78/571754878.db2.gz UGRVOXRDELPRDL-DTWKUNHWSA-N 0 0 185.267 1.295 10 0 ADAERN Cc1nccc(OCC(F)(F)F)n1 141336709 571754882 /nfs/dbraw/zinc/75/48/82/571754882.db2.gz JZVVQYRMCQSRAK-UHFFFAOYSA-N 0 0 192.140 1.726 10 0 ADAERN C/C=C/C=C/COC(=O)C=C(C)N 168888450 571754916 /nfs/dbraw/zinc/75/49/16/571754916.db2.gz UIABAXAHRLCLQS-HBJDSXITSA-N 0 0 181.235 1.524 10 0 ADAERN OC/C=C\CCCn1cccc1 38338447 571754921 /nfs/dbraw/zinc/75/49/21/571754921.db2.gz OERZHQILRJAFDY-KXFIGUGUSA-N 0 0 165.236 1.817 10 0 ADAERN CC[C@@H](O)CCCCCOC 70777250 571754954 /nfs/dbraw/zinc/75/49/54/571754954.db2.gz UXMJTIPILXKZGY-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CCC[C@H]1CC[N@H+](C)C[C@@H]1C(=O)[O-] 214423418 571754971 /nfs/dbraw/zinc/75/49/71/571754971.db2.gz BCKJHIHTQXPHCD-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN CO[C@@H]1Oc2ccccc2N(C)C1=O 14443648 571754982 /nfs/dbraw/zinc/75/49/82/571754982.db2.gz MZKZIRNOMRQULN-SNVBAGLBSA-N 0 0 193.202 1.014 10 0 ADAERN CCCC[C@H]1C[NH2+]CC[C@H]1C(=O)[O-] 214424882 571755024 /nfs/dbraw/zinc/75/50/24/571755024.db2.gz NCVKBIVWSMETJE-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN CC(C)[C@H](O)CCc1ccnn1C 70778296 571755025 /nfs/dbraw/zinc/75/50/25/571755025.db2.gz MBECRXBHTJHORX-SNVBAGLBSA-N 0 0 182.267 1.370 10 0 ADAERN CCC(=O)[C@@H](C)S(=O)(=O)C(C)C 84864258 571755077 /nfs/dbraw/zinc/75/50/77/571755077.db2.gz XCPUTBDZQRBLJN-SSDOTTSWSA-N 0 0 192.280 1.177 10 0 ADAERN COCCCCC[C@@H](O)C1CC1 70779001 571755086 /nfs/dbraw/zinc/75/50/86/571755086.db2.gz MZPPNWJWVAQPBV-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cscc1[C@H](C[NH3+])C(=O)[O-] 214422031 571755103 /nfs/dbraw/zinc/75/51/03/571755103.db2.gz PIOOIICJQNGUJJ-LURJTMIESA-N 0 0 185.248 1.183 10 0 ADAERN CC[C@@H](C)CC(=O)N1CCCN1 335496833 571755114 /nfs/dbraw/zinc/75/51/14/571755114.db2.gz PUJKJEPMQZLETD-MRVPVSSYSA-N 0 0 170.256 1.160 10 0 ADAERN CC[C@@H](O)CCc1ccnn1C 70777460 571755116 /nfs/dbraw/zinc/75/51/16/571755116.db2.gz DQEXDWSGABKUGC-SECBINFHSA-N 0 0 168.240 1.124 10 0 ADAERN C[C@@H](c1ccccc1)[C@@H]1CC(=O)NN1 214422086 571755117 /nfs/dbraw/zinc/75/51/17/571755117.db2.gz YBSMVYOSSPOZMI-WPRPVWTQSA-N 0 0 190.246 1.183 10 0 ADAERN Cn1cc(CCC[C@H](O)C2CC2)cn1 70778579 571755120 /nfs/dbraw/zinc/75/51/20/571755120.db2.gz SOTXUISEMVJUHD-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@H](C)[C@H](CC(=O)[O-])[NH+]1CCCC1 70821718 571758235 /nfs/dbraw/zinc/75/82/35/571758235.db2.gz YXXWCTCEMWOPDD-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CCCC[C@H]1C[NH2+]CC[C@@H]1C(=O)[O-] 214424772 571755132 /nfs/dbraw/zinc/75/51/32/571755132.db2.gz NCVKBIVWSMETJE-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN CC(C)[C@@]1(C(=O)[O-])CCCC[N@@H+]1C 214423969 571755646 /nfs/dbraw/zinc/75/56/46/571755646.db2.gz AIILQNHJNZZADP-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN COC(=O)c1cc(CC(C)C)no1 141437200 571755164 /nfs/dbraw/zinc/75/51/64/571755164.db2.gz ROTZRGGNYFCZGL-UHFFFAOYSA-N 0 0 183.207 1.660 10 0 ADAERN CC[NH+](CC)CCC1(C(=O)[O-])CC1 214424057 571755177 /nfs/dbraw/zinc/75/51/77/571755177.db2.gz FVFHYUHOZRRVHI-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN CO[C@@](C)(CO)C(C)C 141339951 571755188 /nfs/dbraw/zinc/75/51/88/571755188.db2.gz YKFIYWPNYJUYFI-ZETCQYMHSA-N 0 0 132.203 1.040 10 0 ADAERN CCn1nccc1CC[C@H](O)C(C)C 70778290 571755192 /nfs/dbraw/zinc/75/51/92/571755192.db2.gz FDRSLFNHJFMSDU-NSHDSACASA-N 0 0 196.294 1.853 10 0 ADAERN CC(C)(C)[C@H](O)CCc1cnccn1 70780159 571755214 /nfs/dbraw/zinc/75/52/14/571755214.db2.gz KVOMXZIWIQNHBN-SNVBAGLBSA-N 0 0 194.278 1.816 10 0 ADAERN CCCC[C@@H]1C[NH2+]CC[C@@H]1C(=O)[O-] 214424712 571755218 /nfs/dbraw/zinc/75/52/18/571755218.db2.gz NCVKBIVWSMETJE-BDAKNGLRSA-N 0 0 185.267 1.487 10 0 ADAERN CC[C@H]1CC[C@@](CC(=O)[O-])([NH+](C)C)C1 70822389 571758239 /nfs/dbraw/zinc/75/82/39/571758239.db2.gz NHNHTYJNVLTHRX-GXSJLCMTSA-N 0 0 199.294 1.972 10 0 ADAERN CO/C=C/C=C\CCO 214434775 571755228 /nfs/dbraw/zinc/75/52/28/571755228.db2.gz YXRHZPGKFGICDU-JYUXVSJCSA-N 0 0 128.171 1.085 10 0 ADAERN CC[C@H](O)CCCc1cnn(CC)c1 70776911 571755238 /nfs/dbraw/zinc/75/52/38/571755238.db2.gz MAYITCPSDYNIOC-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN COC(=O)CN[C@@H]1C[C@H]2CCCC[C@H]21 712419271 571758240 /nfs/dbraw/zinc/75/82/40/571758240.db2.gz NMYYENFKSGLHPH-OPRDCNLKSA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@@H](O)CCc1cnccn1 70777629 571755257 /nfs/dbraw/zinc/75/52/57/571755257.db2.gz UEJQNSDOGCTQPJ-SECBINFHSA-N 0 0 166.224 1.180 10 0 ADAERN C/C=C(/C(=O)OC)[C@H](O)C(C)C 38251262 571755268 /nfs/dbraw/zinc/75/52/68/571755268.db2.gz JWJWATQYUJTXSU-WVXIBAHESA-N 0 0 172.224 1.123 10 0 ADAERN CC[C@H](O)CCc1cnccn1 70777625 571755291 /nfs/dbraw/zinc/75/52/91/571755291.db2.gz UEJQNSDOGCTQPJ-VIFPVBQESA-N 0 0 166.224 1.180 10 0 ADAERN CCn1nccc1CC[C@@H](O)C(C)C 70778292 571755299 /nfs/dbraw/zinc/75/52/99/571755299.db2.gz FDRSLFNHJFMSDU-LLVKDONJSA-N 0 0 196.294 1.853 10 0 ADAERN CCC[C@H]1C[N@H+](C)CC[C@@H]1C(=O)[O-] 214423696 571755323 /nfs/dbraw/zinc/75/53/23/571755323.db2.gz HIGRRTKMIIFPDZ-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN CCCn1nccc1CC[C@@H](O)CC 70777216 571755331 /nfs/dbraw/zinc/75/53/31/571755331.db2.gz VKXZJJIESZBPGW-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN CC[C@@H]1CC[N@H+](C)CC[C@@H]1C(=O)[O-] 214423215 571755342 /nfs/dbraw/zinc/75/53/42/571755342.db2.gz ZLMKVWLJBCWFDO-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN Cc1cscc1[C@@H](C[NH3+])C(=O)[O-] 214421980 571755354 /nfs/dbraw/zinc/75/53/54/571755354.db2.gz PIOOIICJQNGUJJ-ZCFIWIBFSA-N 0 0 185.248 1.183 10 0 ADAERN CCCC[C@H](NN)c1cncc(F)c1 229472825 571755370 /nfs/dbraw/zinc/75/53/70/571755370.db2.gz QVJYJUAOZWBVEM-JTQLQIEISA-N 0 0 197.257 1.915 10 0 ADAERN CCCC[C@@H]1CC[NH2+]C[C@H]1C(=O)[O-] 214424576 571755372 /nfs/dbraw/zinc/75/53/72/571755372.db2.gz IVVFKMYGWPWSIP-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN CC[C@H]1C[C@H]1Nc1nc(N)ncc1F 234137038 571755377 /nfs/dbraw/zinc/75/53/77/571755377.db2.gz XSSFGYBRNRTODK-CAHLUQPWSA-N 0 0 196.229 1.408 10 0 ADAERN CCC[C@H](O)CCc1cncnc1 70775430 571755380 /nfs/dbraw/zinc/75/53/80/571755380.db2.gz OSRCECMNBAPATD-JTQLQIEISA-N 0 0 180.251 1.570 10 0 ADAERN O[C@H](CCc1cncc(F)c1)C1CC1 70779263 571755383 /nfs/dbraw/zinc/75/53/83/571755383.db2.gz STPAAFIKJOCKTP-LLVKDONJSA-N 0 0 195.237 1.924 10 0 ADAERN O[C@H](CCc1cnccn1)C1CC1 70779417 571755392 /nfs/dbraw/zinc/75/53/92/571755392.db2.gz YDHVXAJGJBBVGX-SNVBAGLBSA-N 0 0 178.235 1.180 10 0 ADAERN CNOC1CCCCC1 141348338 571755414 /nfs/dbraw/zinc/75/54/14/571755414.db2.gz LWYMRJIPTMILOP-UHFFFAOYSA-N 0 0 129.203 1.470 10 0 ADAERN CCCC[C@H]1CC[NH2+]C[C@@H]1C(=O)[O-] 214424515 571755415 /nfs/dbraw/zinc/75/54/15/571755415.db2.gz IVVFKMYGWPWSIP-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN CCC(=O)[C@H](C)[S@@](=O)[C@H](C)CC 84864292 571755446 /nfs/dbraw/zinc/75/54/46/571755446.db2.gz CFHKEUOHLIJAOA-RGNHYFCHSA-N 0 0 190.308 1.901 10 0 ADAERN CCC[C@@H]1C[N@H+](C)CC[C@@H]1C(=O)[O-] 214423638 571755495 /nfs/dbraw/zinc/75/54/95/571755495.db2.gz HIGRRTKMIIFPDZ-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN CCn1ccnc1CC[C@H](O)C(C)C 70778195 571756619 /nfs/dbraw/zinc/75/66/19/571756619.db2.gz HGRHKKFCZZDYLM-JTQLQIEISA-N 0 0 196.294 1.853 10 0 ADAERN CCC(=O)C(=O)NC1CCCCC1 205116923 571755537 /nfs/dbraw/zinc/75/55/37/571755537.db2.gz JTXQCDMMPPOHKC-UHFFFAOYSA-N 0 0 183.251 1.414 10 0 ADAERN CC(C)[C@H](O)CC[C@H]1CCOC1 70777865 571755538 /nfs/dbraw/zinc/75/55/38/571755538.db2.gz MSLWDCCIFSIIAX-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@H]1C[C@H]1Nc1nc(N)ncc1C 234137010 571755553 /nfs/dbraw/zinc/75/55/53/571755553.db2.gz BWXMZHVFONZSJZ-JGVFFNPUSA-N 0 0 192.266 1.578 10 0 ADAERN Cn1ccnc1CC[C@@H](O)C1CC1 70778646 571755562 /nfs/dbraw/zinc/75/55/62/571755562.db2.gz HTHVBAOMZPHPAJ-SECBINFHSA-N 0 0 180.251 1.124 10 0 ADAERN C/C=C(/C)[C@H](C)CCO 205049494 571755583 /nfs/dbraw/zinc/75/55/83/571755583.db2.gz ZAKHTSOODKPHGT-RBMBQVQZSA-N 0 0 128.215 1.971 10 0 ADAERN CC[C@@H](O)CCc1cccnc1N 70777362 571755585 /nfs/dbraw/zinc/75/55/85/571755585.db2.gz FANVVQWZMAMCSE-SECBINFHSA-N 0 0 180.251 1.367 10 0 ADAERN CC[C@@H](O)CCCc1cnn(CC)c1 70776913 571755599 /nfs/dbraw/zinc/75/55/99/571755599.db2.gz MAYITCPSDYNIOC-LLVKDONJSA-N 0 0 196.294 1.997 10 0 ADAERN CC(C)[N@H+](C)CCC1(C(=O)[O-])CC1 214424138 571755624 /nfs/dbraw/zinc/75/56/24/571755624.db2.gz JSVHWXPDSZXYNJ-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)[C@H](O)CCc1cncnc1 70778459 571755644 /nfs/dbraw/zinc/75/56/44/571755644.db2.gz ZVUWGYWOYFQOQU-SNVBAGLBSA-N 0 0 180.251 1.426 10 0 ADAERN CC[C@H](O)CCc1cncc(F)c1 70777473 571755733 /nfs/dbraw/zinc/75/57/33/571755733.db2.gz DEGHTAMPPFOPLM-JTQLQIEISA-N 0 0 183.226 1.924 10 0 ADAERN CCC(=O)[C@H](C)[S@@](=O)[C@@H](C)CC 84864294 571755737 /nfs/dbraw/zinc/75/57/37/571755737.db2.gz CFHKEUOHLIJAOA-YVZVNANGSA-N 0 0 190.308 1.901 10 0 ADAERN C[C@H]1CC[C@@H](CO)[C@@H](CO)C1 25623877 571755738 /nfs/dbraw/zinc/75/57/38/571755738.db2.gz VLTRIBKOTVZSAS-XHNCKOQMSA-N 0 0 158.241 1.023 10 0 ADAERN O=C1N[C@]2(CCCOCC2)CCO1 214411219 571755742 /nfs/dbraw/zinc/75/57/42/571755742.db2.gz AAXBLYPKUACFSP-VIFPVBQESA-N 0 0 185.223 1.056 10 0 ADAERN CC[C@H](O)/C=C/C(=O)NCC(C)C 14454746 571755772 /nfs/dbraw/zinc/75/57/72/571755772.db2.gz CHVSACQEPFATBT-CYNONHLPSA-N 0 0 185.267 1.086 10 0 ADAERN CC[C@H](O)CCc1nccn1CC 70777353 571755800 /nfs/dbraw/zinc/75/58/00/571755800.db2.gz QOPPQDPGJNECLP-VIFPVBQESA-N 0 0 182.267 1.607 10 0 ADAERN CC(C)[C@H](O)CCCc1cnn(C)c1 70777683 571755808 /nfs/dbraw/zinc/75/58/08/571755808.db2.gz LJPSLKKLXJRMRC-LLVKDONJSA-N 0 0 196.294 1.760 10 0 ADAERN CCCn1cc(CC[C@@H](O)CC)cn1 70777221 571755825 /nfs/dbraw/zinc/75/58/25/571755825.db2.gz YLEPJZDIUUTIMB-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN C[C@@H](O)CCCC(=O)OC(C)(C)C 38283330 571755838 /nfs/dbraw/zinc/75/58/38/571755838.db2.gz WOXYNSMKMHSRMM-MRVPVSSYSA-N 0 0 188.267 1.879 10 0 ADAERN CC(C)[C@H](O)CCc1cnccn1 70778490 571755843 /nfs/dbraw/zinc/75/58/43/571755843.db2.gz QJGREZZHQFUACZ-SNVBAGLBSA-N 0 0 180.251 1.426 10 0 ADAERN C[C@@H]1Cc2ccc(CC(N)=O)cc2C1 205061306 571755860 /nfs/dbraw/zinc/75/58/60/571755860.db2.gz GFJQEAKPBXFAIM-MRVPVSSYSA-N 0 0 189.258 1.449 10 0 ADAERN CC[C@@H](C)[C@H](CC(=O)[O-])[NH+]1CCCC1 70821716 571758257 /nfs/dbraw/zinc/75/82/57/571758257.db2.gz YXXWCTCEMWOPDD-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC[N@H+](C)[C@H]1CCC[C@@H](CC(=O)[O-])C1 250096894 571755913 /nfs/dbraw/zinc/75/59/13/571755913.db2.gz XYUDFBSIWFGBGD-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC[N@H+](C)[C@H]1CCC[C@@H](C(=O)[O-])C1 250091758 571755964 /nfs/dbraw/zinc/75/59/64/571755964.db2.gz WXMWXCAWNKYFPB-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCn1ccnc1CC[C@H](O)C1CC1 70779127 571755967 /nfs/dbraw/zinc/75/59/67/571755967.db2.gz AYOUGZYEPVJDRY-JTQLQIEISA-N 0 0 194.278 1.607 10 0 ADAERN Cc1cscc1C[C@@H]([NH3+])C(=O)[O-] 214422309 571755990 /nfs/dbraw/zinc/75/59/90/571755990.db2.gz IIMHIVLMKJYCIX-SSDOTTSWSA-N 0 0 185.248 1.011 10 0 ADAERN CCC(=O)[C@H](C)[S@](=O)[C@@H](C)CC 84864288 571755992 /nfs/dbraw/zinc/75/59/92/571755992.db2.gz CFHKEUOHLIJAOA-UBJUHAIHSA-N 0 0 190.308 1.901 10 0 ADAERN CC(=CC(=O)OC(C)C)NC(C)C 214416771 571755999 /nfs/dbraw/zinc/75/59/99/571755999.db2.gz LXSWQYOKZXOECQ-RMKNXTFCSA-N 0 0 185.267 1.840 10 0 ADAERN Cn1nccc1CC[C@H](O)C1CC1 70779229 571756035 /nfs/dbraw/zinc/75/60/35/571756035.db2.gz QDNYOMZMGWAEFZ-JTQLQIEISA-N 0 0 180.251 1.124 10 0 ADAERN CC[C@@H](O)/C=C/C(=O)NCC(C)C 14454745 571756045 /nfs/dbraw/zinc/75/60/45/571756045.db2.gz CHVSACQEPFATBT-VUHVRTRXSA-N 0 0 185.267 1.086 10 0 ADAERN CC[C@H](C)CC(=O)N1CCCN1 335496834 571756100 /nfs/dbraw/zinc/75/61/00/571756100.db2.gz PUJKJEPMQZLETD-QMMMGPOBSA-N 0 0 170.256 1.160 10 0 ADAERN COc1ccc2cnoc2c1OC 205094846 571756120 /nfs/dbraw/zinc/75/61/20/571756120.db2.gz RHRHQSKNTPQDRW-UHFFFAOYSA-N 0 0 179.175 1.845 10 0 ADAERN O[C@H](CCc1ccoc1)C1CC1 70779219 571756125 /nfs/dbraw/zinc/75/61/25/571756125.db2.gz GXOSOHIWXLPPNX-SNVBAGLBSA-N 0 0 166.220 1.983 10 0 ADAERN CC[C@@H](O)CCCc1cccnc1N 70777464 571756137 /nfs/dbraw/zinc/75/61/37/571756137.db2.gz WUVUOVRFZQSRHI-SNVBAGLBSA-N 0 0 194.278 1.757 10 0 ADAERN CC(C)[C@@H](O)CC[C@H]1CCOC1 70777873 571756179 /nfs/dbraw/zinc/75/61/79/571756179.db2.gz MSLWDCCIFSIIAX-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@@H](O)CCc1nccn1C 70776981 571756183 /nfs/dbraw/zinc/75/61/83/571756183.db2.gz ZZXGDFABTSOHEO-MRVPVSSYSA-N 0 0 168.240 1.124 10 0 ADAERN CCO[C@H](C)[C@@H](O)c1cnn(CC)c1 70828617 571760566 /nfs/dbraw/zinc/76/05/66/571760566.db2.gz KXDWMVOUXQFCKF-PSASIEDQSA-N 0 0 198.266 1.361 10 0 ADAERN CCCCCC[C@@H]1OC(=O)C[C@@H]1O 38312546 571756206 /nfs/dbraw/zinc/75/62/06/571756206.db2.gz HFYZTGBQDXZSHJ-IUCAKERBSA-N 0 0 186.251 1.633 10 0 ADAERN CC(C)[C@@H](O)CC[C@@H]1CCOC1 70777864 571756212 /nfs/dbraw/zinc/75/62/12/571756212.db2.gz MSLWDCCIFSIIAX-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN CCCn1ccnc1CC[C@@H](O)CC 70777090 571756242 /nfs/dbraw/zinc/75/62/42/571756242.db2.gz WGQHKCGVCFHCLY-JTQLQIEISA-N 0 0 196.294 1.997 10 0 ADAERN CC[C@@H](O)CCc1cncc(F)c1 70777475 571756249 /nfs/dbraw/zinc/75/62/49/571756249.db2.gz DEGHTAMPPFOPLM-SNVBAGLBSA-N 0 0 183.226 1.924 10 0 ADAERN O[C@@H](CC[C@H]1CCOC1)C1CC1 70778788 571756255 /nfs/dbraw/zinc/75/62/55/571756255.db2.gz RWMKXMRSUGNXQI-WPRPVWTQSA-N 0 0 170.252 1.574 10 0 ADAERN CCCCCN1CCCO1 205068595 571756262 /nfs/dbraw/zinc/75/62/62/571756262.db2.gz DIRIGLZASUYNCL-UHFFFAOYSA-N 0 0 143.230 1.814 10 0 ADAERN COC(OC)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1CO 38283538 571756275 /nfs/dbraw/zinc/75/62/75/571756275.db2.gz VNPRAEUKNFDKID-QCLAVDOMSA-N 0 0 198.262 1.036 10 0 ADAERN CCC(N)=CC1=NCCCO1 38292502 571756282 /nfs/dbraw/zinc/75/62/82/571756282.db2.gz QRFXLPUUIDSOHF-VOTSOKGWSA-N 0 0 154.213 1.058 10 0 ADAERN O=C([O-])C[NH2+][C@@H]1C[C@@H]2CCCC[C@@H]21 712412120 571756311 /nfs/dbraw/zinc/75/63/11/571756311.db2.gz AMWZOKFMAVVSHD-XHNCKOQMSA-N 0 0 183.251 1.239 10 0 ADAERN CC(=O)[C@@H](C)c1nc(CC(C)C)no1 70996715 571761482 /nfs/dbraw/zinc/76/14/82/571761482.db2.gz IXDZZWFUHNIIEB-SSDOTTSWSA-N 0 0 196.250 1.961 10 0 ADAERN CC(C)(C)[C@@H](O)CCc1cncnc1 70780139 571756358 /nfs/dbraw/zinc/75/63/58/571756358.db2.gz MEQMFMYMNDFARI-JTQLQIEISA-N 0 0 194.278 1.816 10 0 ADAERN CCCn1ccnc1CC[C@H](O)CC 70777087 571756372 /nfs/dbraw/zinc/75/63/72/571756372.db2.gz WGQHKCGVCFHCLY-SNVBAGLBSA-N 0 0 196.294 1.997 10 0 ADAERN CC(C)[C@H](O)CC[C@@H]1CCOC1 70777862 571756383 /nfs/dbraw/zinc/75/63/83/571756383.db2.gz MSLWDCCIFSIIAX-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)[C@@H](O)CCCc1cnn(C)c1 70777686 571756404 /nfs/dbraw/zinc/75/64/04/571756404.db2.gz LJPSLKKLXJRMRC-NSHDSACASA-N 0 0 196.294 1.760 10 0 ADAERN C[C@@H]1CC[C@H]2CC(=O)OC[C@H]21 14860503 571756411 /nfs/dbraw/zinc/75/64/11/571756411.db2.gz VGWJUWSHYRJZKH-CSMHCCOUSA-N 0 0 154.209 1.596 10 0 ADAERN CC[C@@H](O)CCCc1cnn(C)c1 70776907 571756412 /nfs/dbraw/zinc/75/64/12/571756412.db2.gz ALABAVJKUYCFCN-SNVBAGLBSA-N 0 0 182.267 1.514 10 0 ADAERN CCn1nccc1CC[C@@H](O)C1CC1 70779227 571756419 /nfs/dbraw/zinc/75/64/19/571756419.db2.gz DTXLXKUULKUVED-LLVKDONJSA-N 0 0 194.278 1.607 10 0 ADAERN CCOCCCC[C@H](O)C1CC1 70778611 571756424 /nfs/dbraw/zinc/75/64/24/571756424.db2.gz GCCQDDMMHDZFKW-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CC[C@H](O)C[C@H](C)F 138873689 571756429 /nfs/dbraw/zinc/75/64/29/571756429.db2.gz XJPCCWCEAMDGKM-WDSKDSINSA-N 0 0 120.167 1.505 10 0 ADAERN CCCn1cc(CC[C@H](O)CC)cn1 70777218 571756452 /nfs/dbraw/zinc/75/64/52/571756452.db2.gz YLEPJZDIUUTIMB-LLVKDONJSA-N 0 0 196.294 1.997 10 0 ADAERN Cn1ccnc1CC[C@H](O)C(C)(C)C 70779542 571757250 /nfs/dbraw/zinc/75/72/50/571757250.db2.gz OJTHDSVJOWAAFM-VIFPVBQESA-N 0 0 196.294 1.760 10 0 ADAERN CC[C@@H](O)CCc1nccn1CC 70777356 571756481 /nfs/dbraw/zinc/75/64/81/571756481.db2.gz QOPPQDPGJNECLP-SECBINFHSA-N 0 0 182.267 1.607 10 0 ADAERN COCCNCc1cc(C(C)C)on1 70797037 571756488 /nfs/dbraw/zinc/75/64/88/571756488.db2.gz SOEPDURMRAULII-UHFFFAOYSA-N 0 0 198.266 1.534 10 0 ADAERN CC[C@H](O)CCc1ccnn1C 70777458 571756492 /nfs/dbraw/zinc/75/64/92/571756492.db2.gz DQEXDWSGABKUGC-VIFPVBQESA-N 0 0 168.240 1.124 10 0 ADAERN CC1(C)C/C(=C\CO)C=C[C@H]1O 14616192 571756497 /nfs/dbraw/zinc/75/64/97/571756497.db2.gz OZMPRKSGMPJXGO-BZJXQOFCSA-N 0 0 168.236 1.252 10 0 ADAERN CCCc1noc([C@@H](C)C(C)=O)n1 70997035 571761504 /nfs/dbraw/zinc/76/15/04/571761504.db2.gz PTKTWTHUYGRGRL-LURJTMIESA-N 0 0 182.223 1.715 10 0 ADAERN Cn1ccnc1CC[C@@H](O)C(C)(C)C 70779539 571756589 /nfs/dbraw/zinc/75/65/89/571756589.db2.gz OJTHDSVJOWAAFM-SECBINFHSA-N 0 0 196.294 1.760 10 0 ADAERN CC(C)(O)C[C@@H](N)C(F)(F)F 17403628 571761820 /nfs/dbraw/zinc/76/18/20/571761820.db2.gz CULWLWJBNGHXPT-SCSAIBSYSA-N 0 0 171.162 1.037 10 0 ADAERN CC[C@H](O)CCCc1cccnc1N 70777461 571756627 /nfs/dbraw/zinc/75/66/27/571756627.db2.gz WUVUOVRFZQSRHI-JTQLQIEISA-N 0 0 194.278 1.757 10 0 ADAERN CC[C@@H](O)CCc1ccnn1CC 70777455 571756639 /nfs/dbraw/zinc/75/66/39/571756639.db2.gz UIMBAKNDSLFGKN-SNVBAGLBSA-N 0 0 182.267 1.607 10 0 ADAERN CCOCCCC[C@@H](O)CC 70776930 571756671 /nfs/dbraw/zinc/75/66/71/571756671.db2.gz KPPWRMGJZYPHJO-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN Nc1cnn(-c2ccc(C=O)cc2)c1 214475286 571756676 /nfs/dbraw/zinc/75/66/76/571756676.db2.gz KNGVCVWHNIWXHG-UHFFFAOYSA-N 0 0 187.202 1.267 10 0 ADAERN O[C@@H](CCc1cncnc1)C1CC1 70779385 571756682 /nfs/dbraw/zinc/75/66/82/571756682.db2.gz FBHQHGUTRFOGCM-JTQLQIEISA-N 0 0 178.235 1.180 10 0 ADAERN CC[C@H](O)CCCc1cnn(C)c1 70776903 571756693 /nfs/dbraw/zinc/75/66/93/571756693.db2.gz ALABAVJKUYCFCN-JTQLQIEISA-N 0 0 182.267 1.514 10 0 ADAERN CC[C@H](O)CCc1cccnc1N 70777359 571756703 /nfs/dbraw/zinc/75/67/03/571756703.db2.gz FANVVQWZMAMCSE-VIFPVBQESA-N 0 0 180.251 1.367 10 0 ADAERN CCOCCCC[C@H](O)CC 70776933 571756708 /nfs/dbraw/zinc/75/67/08/571756708.db2.gz KPPWRMGJZYPHJO-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CC(C)[C@@H](O)CCc1cnccn1 70778498 571756710 /nfs/dbraw/zinc/75/67/10/571756710.db2.gz QJGREZZHQFUACZ-JTQLQIEISA-N 0 0 180.251 1.426 10 0 ADAERN CCC[C@H](O)CCc1cnccn1 70775457 571756715 /nfs/dbraw/zinc/75/67/15/571756715.db2.gz HRCCXRKHWDSOJV-JTQLQIEISA-N 0 0 180.251 1.570 10 0 ADAERN CCn1ncc(CC(C)=O)c1Cl 214466652 571756753 /nfs/dbraw/zinc/75/67/53/571756753.db2.gz HHRXLWPBUGLYFD-UHFFFAOYSA-N 0 0 186.642 1.688 10 0 ADAERN C=C/C(C)=C/C[C@H](O)C(C)(C)O 15120357 571756774 /nfs/dbraw/zinc/75/67/74/571756774.db2.gz BTHAWHOTHGQIKC-ORZBULNSSA-N 0 0 170.252 1.641 10 0 endogenous,in-man ADAERN CC[C@@H](OC(C)(C)C)[C@H](C)O 141491641 571756793 /nfs/dbraw/zinc/75/67/93/571756793.db2.gz OWLJIZOJHQIREA-JGVFFNPUSA-N 0 0 160.257 1.961 10 0 ADAERN CC[C@@H](O)C[C@@H](C)F 138873563 571756804 /nfs/dbraw/zinc/75/68/04/571756804.db2.gz XJPCCWCEAMDGKM-PHDIDXHHSA-N 0 0 120.167 1.505 10 0 ADAERN O[C@@H](CC[C@@H]1CCOC1)C1CC1 70778780 571756813 /nfs/dbraw/zinc/75/68/13/571756813.db2.gz RWMKXMRSUGNXQI-SCZZXKLOSA-N 0 0 170.252 1.574 10 0 ADAERN Cn1nccc1CC[C@H](O)C(C)(C)C 70780022 571756845 /nfs/dbraw/zinc/75/68/45/571756845.db2.gz YSIBUDBZLVAKDG-JTQLQIEISA-N 0 0 196.294 1.760 10 0 ADAERN Cn1cc(CCC[C@@H](O)C2CC2)cn1 70778584 571756850 /nfs/dbraw/zinc/75/68/50/571756850.db2.gz SOTXUISEMVJUHD-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@H](O)CCCCCOC 70777248 571756859 /nfs/dbraw/zinc/75/68/59/571756859.db2.gz UXMJTIPILXKZGY-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN CC(C)[C@@H](O)CCc1cncnc1 70778463 571756884 /nfs/dbraw/zinc/75/68/84/571756884.db2.gz ZVUWGYWOYFQOQU-JTQLQIEISA-N 0 0 180.251 1.426 10 0 ADAERN CC(C)[C@@H](O)CCc1nccn1C 70777748 571756889 /nfs/dbraw/zinc/75/68/89/571756889.db2.gz SVHXGRYLZALCTG-VIFPVBQESA-N 0 0 182.267 1.370 10 0 ADAERN CCCC[C@H](C)[C@H]([NH3+])C(=O)[O-] 14967121 571756923 /nfs/dbraw/zinc/75/69/23/571756923.db2.gz MRVKKJOUYHWMOC-BQBZGAKWSA-N 0 0 159.229 1.225 10 0 ADAERN O[C@H](CC[C@H]1CCOC1)C1CC1 70778784 571756924 /nfs/dbraw/zinc/75/69/24/571756924.db2.gz RWMKXMRSUGNXQI-WCBMZHEXSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1nc(CNC[C@@H]2C[C@H]2C)no1 235306739 571756937 /nfs/dbraw/zinc/75/69/37/571756937.db2.gz SCQKKHPFWMKZJI-SVRRBLITSA-N 0 0 181.239 1.124 10 0 ADAERN CCC[C@H](O)CCc1ccnn1C 70775303 571756947 /nfs/dbraw/zinc/75/69/47/571756947.db2.gz ZZPHELUAWUFRJX-JTQLQIEISA-N 0 0 182.267 1.514 10 0 ADAERN CC[C@@H](O)CCCC[C@H](C)O 14614369 571756963 /nfs/dbraw/zinc/75/69/63/571756963.db2.gz GYCRPIGNULTGIK-DTWKUNHWSA-N 0 0 160.257 1.699 10 0 ADAERN O[C@H](CC[C@@H]1CCOC1)C1CC1 70778779 571756966 /nfs/dbraw/zinc/75/69/66/571756966.db2.gz RWMKXMRSUGNXQI-PSASIEDQSA-N 0 0 170.252 1.574 10 0 ADAERN O=C1CC[C@@H]2C=CCC[C@H]12 25887653 571756977 /nfs/dbraw/zinc/75/69/77/571756977.db2.gz SFACYMFIIJVGTA-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN CCn1ccnc1CC[C@@H](O)C1CC1 70779131 571756979 /nfs/dbraw/zinc/75/69/79/571756979.db2.gz AYOUGZYEPVJDRY-SNVBAGLBSA-N 0 0 194.278 1.607 10 0 ADAERN CC(C)[C@@H](O)CCc1ccnn1C 70778299 571757051 /nfs/dbraw/zinc/75/70/51/571757051.db2.gz MBECRXBHTJHORX-JTQLQIEISA-N 0 0 182.267 1.370 10 0 ADAERN Oc1ccc2c(c1)[C@H](O)CCO2 141549603 571757073 /nfs/dbraw/zinc/75/70/73/571757073.db2.gz DEIXNYIUQLLDBS-MRVPVSSYSA-N 0 0 166.176 1.208 10 0 ADAERN C=C/C=C\[C@H]1CCC(=O)N1CCCO 214454937 571757080 /nfs/dbraw/zinc/75/70/80/571757080.db2.gz JXAFZLWGUUKBQU-ATPLWMGHSA-N 0 0 195.262 1.102 10 0 ADAERN Nc1ncccc1CC[C@@H](O)C1CC1 70779141 571757142 /nfs/dbraw/zinc/75/71/42/571757142.db2.gz MUIAVSCHVXUIDU-SNVBAGLBSA-N 0 0 192.262 1.367 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cnn(C)c1Cl 712418579 571757144 /nfs/dbraw/zinc/75/71/44/571757144.db2.gz LVGRVLMRHXADSE-RNFRBKRXSA-N 0 0 198.653 1.766 10 0 ADAERN Nc1ccnn1-c1cccc(C=O)c1 214475363 571757151 /nfs/dbraw/zinc/75/71/51/571757151.db2.gz YYBRNELPLNFTSJ-UHFFFAOYSA-N 0 0 187.202 1.267 10 0 ADAERN CCCn1nccc1CC[C@H](O)CC 70777211 571757155 /nfs/dbraw/zinc/75/71/55/571757155.db2.gz VKXZJJIESZBPGW-LLVKDONJSA-N 0 0 196.294 1.997 10 0 ADAERN O=C1CC[C@H]2C=CCC[C@@H]12 25887672 571757158 /nfs/dbraw/zinc/75/71/58/571757158.db2.gz SFACYMFIIJVGTA-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN O[C@@H](CCc1cncc(F)c1)C1CC1 70779258 571757171 /nfs/dbraw/zinc/75/71/71/571757171.db2.gz STPAAFIKJOCKTP-NSHDSACASA-N 0 0 195.237 1.924 10 0 ADAERN CC[C@@H](C(C)=O)n1cccn1 141596637 571757178 /nfs/dbraw/zinc/75/71/78/571757178.db2.gz OVNRALRTAVYSJZ-QMMMGPOBSA-N 0 0 152.197 1.423 10 0 ADAERN CCOCCCC[C@@H](O)C1CC1 70778614 571757120 /nfs/dbraw/zinc/75/71/20/571757120.db2.gz GCCQDDMMHDZFKW-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CCC[C@H](O)CCc1ccnn1CC 70775297 571757127 /nfs/dbraw/zinc/75/71/27/571757127.db2.gz FZUUZLYUAHDDDL-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN CC(C)[C@H](O)CCc1cccnc1N 70778204 571757129 /nfs/dbraw/zinc/75/71/29/571757129.db2.gz WWKRCTQIIVOCEU-SNVBAGLBSA-N 0 0 194.278 1.613 10 0 ADAERN CC[C@H](O)C[C@@H](C)F 138873483 571757209 /nfs/dbraw/zinc/75/72/09/571757209.db2.gz XJPCCWCEAMDGKM-RITPCOANSA-N 0 0 120.167 1.505 10 0 ADAERN C[C@@H](O)c1csc2cncn12 138886248 571757216 /nfs/dbraw/zinc/75/72/16/571757216.db2.gz KXGMAMJXFNDXSL-RXMQYKEDSA-N 0 0 168.221 1.449 10 0 ADAERN CC(C)[C@@H]1CC(=O)[C@@H](C)CC1=O 205149118 571757222 /nfs/dbraw/zinc/75/72/22/571757222.db2.gz VYOBOCQMKRSKAN-YUMQZZPRSA-N 0 0 168.236 1.827 10 0 ADAERN NN=C1CCOc2ccc(Cl)cc21 379365528 571757227 /nfs/dbraw/zinc/75/72/27/571757227.db2.gz PAVLMWIYWYUQMT-UHFFFAOYSA-N 0 0 196.637 1.785 10 0 ADAERN Cc1cc2c(o1)CS(=O)(=O)CC2 214454136 571757235 /nfs/dbraw/zinc/75/72/35/571757235.db2.gz OAAZZHOWVKWDSJ-UHFFFAOYSA-N 0 0 186.232 1.059 10 0 ADAERN CC[C@@H](O)CCc1cncnc1 70777604 571757257 /nfs/dbraw/zinc/75/72/57/571757257.db2.gz HTSDOPGOWUZSPE-SECBINFHSA-N 0 0 166.224 1.180 10 0 ADAERN C[C@@H](O)CC[C@H](O)c1ccoc1 15221893 571757288 /nfs/dbraw/zinc/75/72/88/571757288.db2.gz AORCXYMSPVAQIZ-APPZFPTMSA-N 0 0 170.208 1.474 10 0 endogenous,in-man ADAERN N#Cc1c(F)ccc(C=NN)c1Cl 379365058 571757300 /nfs/dbraw/zinc/75/73/00/571757300.db2.gz OADOZRYPAALECQ-UHFFFAOYSA-N 0 0 197.600 1.643 10 0 ADAERN CCOCCc1nc2cc[nH]cc-2n1 70801652 571757313 /nfs/dbraw/zinc/75/73/13/571757313.db2.gz MMWCEYQDROLGSU-UHFFFAOYSA-N 0 0 191.234 1.537 10 0 ADAERN Cn1ccnc1CC[C@H](O)C1CC1 70778642 571757323 /nfs/dbraw/zinc/75/73/23/571757323.db2.gz HTHVBAOMZPHPAJ-VIFPVBQESA-N 0 0 180.251 1.124 10 0 ADAERN O=Cc1cccn1C(=O)c1ccccc1 14684333 571757326 /nfs/dbraw/zinc/75/73/26/571757326.db2.gz CWEAICWAAKYIBA-UHFFFAOYSA-N 0 0 199.209 1.989 10 0 ADAERN Nc1ccnn1-c1ccc(C=O)cc1 214475191 571757351 /nfs/dbraw/zinc/75/73/51/571757351.db2.gz MVQVEXNWZHQPBV-UHFFFAOYSA-N 0 0 187.202 1.267 10 0 ADAERN COC(=O)CCCC1(O)CCCC1 141582597 571757352 /nfs/dbraw/zinc/75/73/52/571757352.db2.gz RVCGXZBXGXFZDP-UHFFFAOYSA-N 0 0 186.251 1.635 10 0 ADAERN CCC/C=C/C=C\C(N)=O 14616366 571757354 /nfs/dbraw/zinc/75/73/54/571757354.db2.gz GSHDXSRSGKTAJL-DEQVHDEQSA-N 0 0 139.198 1.384 10 0 ADAERN CC[C@H](O)CCCC[C@H](C)O 14614370 571757362 /nfs/dbraw/zinc/75/73/62/571757362.db2.gz GYCRPIGNULTGIK-IUCAKERBSA-N 0 0 160.257 1.699 10 0 ADAERN CC/C=C\CCC(=O)OC 15272625 571757365 /nfs/dbraw/zinc/75/73/65/571757365.db2.gz CVDVXDORDMZHRW-PLNGDYQASA-N 0 0 142.198 1.906 10 0 ADAERN CCC[C@H](CC)[C@@H]([NH3+])C(=O)[O-] 14967132 571757383 /nfs/dbraw/zinc/75/73/83/571757383.db2.gz QHZZFWQHLVBJLI-NKWVEPMBSA-N 0 0 159.229 1.225 10 0 ADAERN O=C1CO[C@H]2CCCC[C@@H]12 25878733 571757409 /nfs/dbraw/zinc/75/74/09/571757409.db2.gz FDJMYPDRQZWUDG-XPUUQOCRSA-N 0 0 140.182 1.145 10 0 ADAERN NC(=O)c1ccc(-c2ccco2)o1 205136323 571757425 /nfs/dbraw/zinc/75/74/25/571757425.db2.gz NOTULVONTFGQAL-UHFFFAOYSA-N 0 0 177.159 1.639 10 0 ADAERN CCc1occc1C(=O)NC#N 234137611 571757445 /nfs/dbraw/zinc/75/74/45/571757445.db2.gz PCJPOPJRPMDHDF-UHFFFAOYSA-N 0 0 164.164 1.053 10 0 ADAERN CCC[C@@H](O)CCc1ccnn1C 70775304 571757487 /nfs/dbraw/zinc/75/74/87/571757487.db2.gz ZZPHELUAWUFRJX-SNVBAGLBSA-N 0 0 182.267 1.514 10 0 ADAERN O[C@H](CCc1cncnc1)C1CC1 70779388 571757498 /nfs/dbraw/zinc/75/74/98/571757498.db2.gz FBHQHGUTRFOGCM-SNVBAGLBSA-N 0 0 178.235 1.180 10 0 ADAERN CC[C@H](O)CCc1cncnc1 70777601 571757506 /nfs/dbraw/zinc/75/75/06/571757506.db2.gz HTSDOPGOWUZSPE-VIFPVBQESA-N 0 0 166.224 1.180 10 0 ADAERN CCC[C@@H](O)CCc1cncnc1 70775432 571757538 /nfs/dbraw/zinc/75/75/38/571757538.db2.gz OSRCECMNBAPATD-SNVBAGLBSA-N 0 0 180.251 1.570 10 0 ADAERN CCn1nccc1CC[C@H](O)C1CC1 70779223 571757574 /nfs/dbraw/zinc/75/75/74/571757574.db2.gz DTXLXKUULKUVED-NSHDSACASA-N 0 0 194.278 1.607 10 0 ADAERN O[C@@H](CCc1ccoc1)C1CC1 70779214 571757621 /nfs/dbraw/zinc/75/76/21/571757621.db2.gz GXOSOHIWXLPPNX-JTQLQIEISA-N 0 0 166.220 1.983 10 0 ADAERN CC[C@H](O)CCc1ccnn1CC 70777452 571757628 /nfs/dbraw/zinc/75/76/28/571757628.db2.gz UIMBAKNDSLFGKN-JTQLQIEISA-N 0 0 182.267 1.607 10 0 ADAERN CCn1ncc(C2(O)CC2)c1Cl 214466572 571757721 /nfs/dbraw/zinc/75/77/21/571757721.db2.gz KTFOGHDIVPSGME-UHFFFAOYSA-N 0 0 186.642 1.538 10 0 ADAERN Cc1ccccc1N1CCC[C@H](O)C1 141568517 571757722 /nfs/dbraw/zinc/75/77/22/571757722.db2.gz VAFOSTHLGGKNIW-NSHDSACASA-N 0 0 191.274 1.956 10 0 ADAERN O=C1CC[C@@H]2CC=CC[C@H]12 25882296 571757735 /nfs/dbraw/zinc/75/77/35/571757735.db2.gz LOJATDUUSCWAOA-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN O=C1CC[C@H]2CCC=C[C@@H]12 25891594 571757756 /nfs/dbraw/zinc/75/77/56/571757756.db2.gz LQQITVPNPBZYRY-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN CCOC(=O)C1=C(N)CC[C@@H]1C 205109157 571757794 /nfs/dbraw/zinc/75/77/94/571757794.db2.gz WCURPKFAMHDRAF-LURJTMIESA-N 0 0 169.224 1.192 10 0 ADAERN O[C@H](CCCC(F)F)c1cn[nH]n1 710831214 571757797 /nfs/dbraw/zinc/75/77/97/571757797.db2.gz BFTVPKQYHWNJPK-ZCFIWIBFSA-N 0 0 191.181 1.274 10 0 ADAERN Nc1cnn(-c2cccc(C=O)c2)c1 214475438 571757808 /nfs/dbraw/zinc/75/78/08/571757808.db2.gz TUZXMFIJWLITMA-UHFFFAOYSA-N 0 0 187.202 1.267 10 0 ADAERN CCC(CC)(CO)CF 138878673 571757848 /nfs/dbraw/zinc/75/78/48/571757848.db2.gz XZUFESJDDBOWHJ-UHFFFAOYSA-N 0 0 134.194 1.755 10 0 ADAERN OC/C=C1/CC12CC2 205111596 571757851 /nfs/dbraw/zinc/75/78/51/571757851.db2.gz ADRQJMKQBCVOIJ-BHQIHCQQSA-N 0 0 110.156 1.089 10 0 ADAERN Cc1cc2c(o1)CCS(=O)(=O)C2 214454195 571757858 /nfs/dbraw/zinc/75/78/58/571757858.db2.gz HDKYUOGPUGZJKX-UHFFFAOYSA-N 0 0 186.232 1.059 10 0 ADAERN CCC[C@@](C)(CO)CF 138880992 571757865 /nfs/dbraw/zinc/75/78/65/571757865.db2.gz XJDGGHYRNCSSGD-SSDOTTSWSA-N 0 0 134.194 1.755 10 0 ADAERN CC1(C)C/C(=C\CO)C=C[C@@H]1O 14616191 571757869 /nfs/dbraw/zinc/75/78/69/571757869.db2.gz OZMPRKSGMPJXGO-RDOCRHDPSA-N 0 0 168.236 1.252 10 0 ADAERN c1cnn(C[C@H]2CCC3(CCC3)O2)c1 712415096 571757879 /nfs/dbraw/zinc/75/78/79/571757879.db2.gz HKDHUUQWOQIPJG-SNVBAGLBSA-N 0 0 192.262 1.985 10 0 ADAERN C/C=C/C=C/C[C@](O)(/C=C/C)CO 14680226 571757903 /nfs/dbraw/zinc/75/79/03/571757903.db2.gz OXRRGRAFJNBWTL-OKMSJDARSA-N 0 0 182.263 1.808 10 0 ADAERN CCC[C@H](C)[C@@H](CC(=O)[O-])[NH+](C)C 70822239 571757930 /nfs/dbraw/zinc/75/79/30/571757930.db2.gz DLEBSEQMNQWBKV-DTWKUNHWSA-N 0 0 187.283 1.828 10 0 ADAERN O[C@@H]1CC[C@H]2C=CCC[C@H]21 25885038 571757951 /nfs/dbraw/zinc/75/79/51/571757951.db2.gz YQPKYIYPGJEQTO-IWSPIJDZSA-N 0 0 138.210 1.724 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[NH+]1CCCC1 70821566 571757967 /nfs/dbraw/zinc/75/79/67/571757967.db2.gz WBUTWWAFNLAIQJ-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN C/C(=C/C=C\C[C@H](C)CO)CO 15120361 571757983 /nfs/dbraw/zinc/75/79/83/571757983.db2.gz HZFJQMOCMXKPQI-QUWATPPQSA-N 0 0 170.252 1.500 10 0 ADAERN CCCC[C@@H](C)[C@@H]([NH3+])C(=O)[O-] 14967125 571757999 /nfs/dbraw/zinc/75/79/99/571757999.db2.gz MRVKKJOUYHWMOC-RNFRBKRXSA-N 0 0 159.229 1.225 10 0 ADAERN CCC[C@@H](CC)[C@H]([NH3+])C(=O)[O-] 14967144 571758023 /nfs/dbraw/zinc/75/80/23/571758023.db2.gz QHZZFWQHLVBJLI-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])[C@@H]1CC=CCC1 70822217 571758062 /nfs/dbraw/zinc/75/80/62/571758062.db2.gz FHAUXHAKBMXCPB-ZJUUUORDSA-N 0 0 197.278 1.748 10 0 ADAERN c1cnn(C[C@@H]2CCC3(CCC3)O2)c1 712415090 571758065 /nfs/dbraw/zinc/75/80/65/571758065.db2.gz HKDHUUQWOQIPJG-JTQLQIEISA-N 0 0 192.262 1.985 10 0 ADAERN CCC[C@@H](C)[C@@H](CC(=O)[O-])[NH+](C)C 70822235 571758067 /nfs/dbraw/zinc/75/80/67/571758067.db2.gz DLEBSEQMNQWBKV-RKDXNWHRSA-N 0 0 187.283 1.828 10 0 ADAERN CC[C@@H](C)[C@H](CC(=O)[O-])[NH+](C)C 70822511 571758105 /nfs/dbraw/zinc/75/81/05/571758105.db2.gz SGBRMXNKKZDMBH-SFYZADRCSA-N 0 0 173.256 1.437 10 0 ADAERN O=C1CC[C@@H]2CC=CC[C@@H]12 25882304 571758116 /nfs/dbraw/zinc/75/81/16/571758116.db2.gz LOJATDUUSCWAOA-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@H](OC(C)(C)C)[C@H](C)O 141491454 571758122 /nfs/dbraw/zinc/75/81/22/571758122.db2.gz OWLJIZOJHQIREA-YUMQZZPRSA-N 0 0 160.257 1.961 10 0 ADAERN CCC[C@H](CC)[C@H]([NH3+])C(=O)[O-] 14967136 571758134 /nfs/dbraw/zinc/75/81/34/571758134.db2.gz QHZZFWQHLVBJLI-BQBZGAKWSA-N 0 0 159.229 1.225 10 0 ADAERN CCO[C@H](C)c1nc(CC)cc(=O)[nH]1 70827139 571758139 /nfs/dbraw/zinc/75/81/39/571758139.db2.gz OOQMLHMJHUQICP-SSDOTTSWSA-N 0 0 196.250 1.430 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cnn(C)c1Cl 712418581 571758173 /nfs/dbraw/zinc/75/81/73/571758173.db2.gz LVGRVLMRHXADSE-RQJHMYQMSA-N 0 0 198.653 1.766 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])C1CCCC1 70822348 571758177 /nfs/dbraw/zinc/75/81/77/571758177.db2.gz KQRNUYHSFTUTPF-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN O[C@@H]1CC[C@H]2CCCC[C@@H]12 25874294 571758178 /nfs/dbraw/zinc/75/81/78/571758178.db2.gz WHHUTBUNHHDROB-IWSPIJDZSA-N 0 0 140.226 1.948 10 0 ADAERN CCC[C@](C)(CC(=O)[O-])[NH+](C)C 70821773 571758180 /nfs/dbraw/zinc/75/81/80/571758180.db2.gz JNGIDCOYGIGMQC-SECBINFHSA-N 0 0 173.256 1.582 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[NH+]1CCCCC1 70823269 571758198 /nfs/dbraw/zinc/75/81/98/571758198.db2.gz SFGCIHPIGVJHKM-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CCCC[C@@H](C)[C@H]([NH3+])C(=O)[O-] 14967128 571758209 /nfs/dbraw/zinc/75/82/09/571758209.db2.gz MRVKKJOUYHWMOC-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN C[C@H](O)[C@H](C)[C@@H](C)F 138877011 571758213 /nfs/dbraw/zinc/75/82/13/571758213.db2.gz UYJNFDNVJFXENL-PBXRRBTRSA-N 0 0 120.167 1.361 10 0 ADAERN CCO[C@@H](C)C(=O)c1nccn1CC 70827852 571758224 /nfs/dbraw/zinc/75/82/24/571758224.db2.gz RMKOLNFGBGVJLX-QMMMGPOBSA-N 0 0 196.250 1.511 10 0 ADAERN Oc1ccc2c(c1)[C@@H](O)CCO2 141549777 571758278 /nfs/dbraw/zinc/75/82/78/571758278.db2.gz DEIXNYIUQLLDBS-QMMMGPOBSA-N 0 0 166.176 1.208 10 0 ADAERN CCO[C@H](C)[C@@H](O)c1ccnn1CC 70829264 571758280 /nfs/dbraw/zinc/75/82/80/571758280.db2.gz BZHQFDRIICYMPJ-PSASIEDQSA-N 0 0 198.266 1.361 10 0 ADAERN CCO[C@@H](C)c1nc(CC)cc(=O)[nH]1 70827142 571758282 /nfs/dbraw/zinc/75/82/82/571758282.db2.gz OOQMLHMJHUQICP-ZETCQYMHSA-N 0 0 196.250 1.430 10 0 ADAERN COC(=O)Nc1csc2cncn12 138874447 571758283 /nfs/dbraw/zinc/75/82/83/571758283.db2.gz NYQKFTKSXCIZMD-UHFFFAOYSA-N 0 0 197.219 1.574 10 0 ADAERN CSCC[C@@H](CC(=O)[O-])[NH+](C)C 70822626 571758300 /nfs/dbraw/zinc/75/83/00/571758300.db2.gz AHHCQFDAKRVOMU-ZETCQYMHSA-N 0 0 191.296 1.144 10 0 ADAERN NC(=O)C/C=C\c1ccccc1 14651514 571758314 /nfs/dbraw/zinc/75/83/14/571758314.db2.gz MLLQDAULRWHYJT-DAXSKMNVSA-N 0 0 161.204 1.575 10 0 ADAERN CCO[C@@H](C)C(=O)c1cncc(F)c1 70827535 571758329 /nfs/dbraw/zinc/75/83/29/571758329.db2.gz HOQUBTMWSMDTCC-ZETCQYMHSA-N 0 0 197.209 1.828 10 0 ADAERN CCC[C@@H](CC)[C@@H]([NH3+])C(=O)[O-] 14967140 571758330 /nfs/dbraw/zinc/75/83/30/571758330.db2.gz QHZZFWQHLVBJLI-RNFRBKRXSA-N 0 0 159.229 1.225 10 0 ADAERN C/C(=C\CO)CCCC(C)(C)O 15120769 571758331 /nfs/dbraw/zinc/75/83/31/571758331.db2.gz JFIQWLBNEDZWHF-RMKNXTFCSA-N 0 0 172.268 1.866 10 0 ADAERN CCCC/C=C/COC[C@H](O)CO 15272768 571758343 /nfs/dbraw/zinc/75/83/43/571758343.db2.gz NCGLBKRCFGHEEP-BRAIEQGRSA-N 0 0 188.267 1.103 10 0 ADAERN C/C(=C/C=C\C[C@@H](C)CO)CO 15120360 571758352 /nfs/dbraw/zinc/75/83/52/571758352.db2.gz HZFJQMOCMXKPQI-RAMQZNLTSA-N 0 0 170.252 1.500 10 0 ADAERN CCC(CC)(CC(=O)[O-])[NH+](C)C 70822007 571758361 /nfs/dbraw/zinc/75/83/61/571758361.db2.gz QWPLKIJSHBVTMQ-UHFFFAOYSA-N 0 0 173.256 1.582 10 0 ADAERN CCO[C@@H](C)C(=O)c1cnccn1 70827858 571758365 /nfs/dbraw/zinc/75/83/65/571758365.db2.gz HTPBVCRMAJWJDM-ZETCQYMHSA-N 0 0 180.207 1.084 10 0 ADAERN O=C1CC[C@@H]2C=CCC[C@@H]12 25887666 571758378 /nfs/dbraw/zinc/75/83/78/571758378.db2.gz SFACYMFIIJVGTA-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@H](C)[C@H](CC(=O)[O-])[NH+](C)C 70822517 571758399 /nfs/dbraw/zinc/75/83/99/571758399.db2.gz SGBRMXNKKZDMBH-YUMQZZPRSA-N 0 0 173.256 1.437 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])C1CCCCC1 70822403 571758418 /nfs/dbraw/zinc/75/84/18/571758418.db2.gz PWGHUKNPJAKRDF-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CCCC[C@H](C)[C@@H]([NH3+])C(=O)[O-] 14967118 571758426 /nfs/dbraw/zinc/75/84/26/571758426.db2.gz MRVKKJOUYHWMOC-NKWVEPMBSA-N 0 0 159.229 1.225 10 0 ADAERN O=C1CC[C@H]2C=CCC[C@H]12 25887660 571758428 /nfs/dbraw/zinc/75/84/28/571758428.db2.gz SFACYMFIIJVGTA-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN CCO[C@H](C)C(=O)c1cccnc1N 70827876 571758434 /nfs/dbraw/zinc/75/84/34/571758434.db2.gz WCFQPCVXJBKIFA-SSDOTTSWSA-N 0 0 194.234 1.272 10 0 ADAERN CCOC(=O)[C@H](C)CCF 141487915 571758454 /nfs/dbraw/zinc/75/84/54/571758454.db2.gz VXNBSLYLYLNZKH-ZCFIWIBFSA-N 0 0 148.177 1.545 10 0 ADAERN c1nnc2n1NC1=C(CCCC1)S2 138878955 571758467 /nfs/dbraw/zinc/75/84/67/571758467.db2.gz NMHQWFIAOKQWCP-ZETCQYMHSA-N 0 0 194.263 1.531 10 0 ADAERN O[C@@H](CCCC(F)F)c1cn[nH]n1 710831213 571758477 /nfs/dbraw/zinc/75/84/77/571758477.db2.gz BFTVPKQYHWNJPK-LURJTMIESA-N 0 0 191.181 1.274 10 0 ADAERN CCO[C@@H](C)C(=O)c1cncnc1 70827942 571758502 /nfs/dbraw/zinc/75/85/02/571758502.db2.gz ADPBJXUMOJLBQK-ZETCQYMHSA-N 0 0 180.207 1.084 10 0 ADAERN C[C@H](O)CC[C@H](O)c1ccoc1 15221896 571758512 /nfs/dbraw/zinc/75/85/12/571758512.db2.gz AORCXYMSPVAQIZ-CBAPKCEASA-N 0 0 170.208 1.474 10 0 endogenous,in-man ADAERN CC[C@H](O)c1ccccc1C(=O)OC 141514444 571758523 /nfs/dbraw/zinc/75/85/23/571758523.db2.gz XXGQGUBCCMSLEB-JTQLQIEISA-N 0 0 194.230 1.917 10 0 ADAERN CC(C)OC(=O)CNC1(C(C)C)CC1 393429378 571758549 /nfs/dbraw/zinc/75/85/49/571758549.db2.gz HQTADOBNBDDEFF-UHFFFAOYSA-N 0 0 199.294 1.716 10 0 ADAERN CCCC[C@@H](CC(=O)[O-])[NH+](C)C 70822634 571758554 /nfs/dbraw/zinc/75/85/54/571758554.db2.gz YHDCBFFAALQLHU-QMMMGPOBSA-N 0 0 173.256 1.582 10 0 ADAERN CCO[C@@H](C)C(=O)c1ccnn1C 70827992 571758591 /nfs/dbraw/zinc/75/85/91/571758591.db2.gz PTSKLVYMCXFZPZ-ZETCQYMHSA-N 0 0 182.223 1.028 10 0 ADAERN O=C([O-])C[C@H](C1CC1)[NH+]1CCCC1 70821663 571758658 /nfs/dbraw/zinc/75/86/58/571758658.db2.gz NQFVZIAQWAULHP-SECBINFHSA-N 0 0 183.251 1.336 10 0 ADAERN CCO[C@H](C)C(=O)c1ccnn1C 70827995 571758663 /nfs/dbraw/zinc/75/86/63/571758663.db2.gz PTSKLVYMCXFZPZ-SSDOTTSWSA-N 0 0 182.223 1.028 10 0 ADAERN Cc1cc2ccccn2c1O 141583236 571758671 /nfs/dbraw/zinc/75/86/71/571758671.db2.gz OFPGETCMUKBJQY-UHFFFAOYSA-N 0 0 147.177 1.953 10 0 ADAERN CC(C)[C@@](C)(CC(=O)[O-])[NH+](C)C 70821952 571758687 /nfs/dbraw/zinc/75/86/87/571758687.db2.gz BIPSVKWHIGFINL-SECBINFHSA-N 0 0 173.256 1.437 10 0 ADAERN CCCOC(=O)NCCOC(F)F 398230891 571758697 /nfs/dbraw/zinc/75/86/97/571758697.db2.gz YSNCIOGKNSGRCG-UHFFFAOYSA-N 0 0 197.181 1.362 10 0 ADAERN CCO[C@H](C)[C@H](O)c1cccnc1N 70829042 571758698 /nfs/dbraw/zinc/75/86/98/571758698.db2.gz UKZRIQKYWPSRAH-APPZFPTMSA-N 0 0 196.250 1.122 10 0 ADAERN CC[NH+](CC)[C@](C)(CC(=O)[O-])C1CC1 70822894 571758704 /nfs/dbraw/zinc/75/87/04/571758704.db2.gz KSLHQYLMMQUMHV-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1cc(NC)ncn1 234138289 571758707 /nfs/dbraw/zinc/75/87/07/571758707.db2.gz DIPWXSKSJXWQKY-YUMQZZPRSA-N 0 0 192.266 1.729 10 0 ADAERN CN(C)C(=O)NC(=O)c1ccccc1 205105825 571758719 /nfs/dbraw/zinc/75/87/19/571758719.db2.gz IKHVHFJKROZOSD-UHFFFAOYSA-N 0 0 192.218 1.098 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+]1CCCC1 70821704 571758766 /nfs/dbraw/zinc/75/87/66/571758766.db2.gz GGVKUMVDHRZKBO-SECBINFHSA-N 0 0 185.267 1.726 10 0 ADAERN CC[C@@H](C)N(C)c1cc(N)ns1 233860867 571758767 /nfs/dbraw/zinc/75/87/67/571758767.db2.gz BFHHFLYVTDJJFT-ZCFIWIBFSA-N 0 0 185.296 1.960 10 0 ADAERN C[NH+](C)[C@H](CC(=O)[O-])C1CCCCC1 70822406 571758770 /nfs/dbraw/zinc/75/87/70/571758770.db2.gz PWGHUKNPJAKRDF-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN O=C1OC[C@@H]2CCCC=C12 25912407 571758776 /nfs/dbraw/zinc/75/87/76/571758776.db2.gz FPBHDEJPPIKJMR-LURJTMIESA-N 0 0 138.166 1.270 10 0 ADAERN CCO[C@H](C)C(=O)c1nccn1CC 70827849 571758788 /nfs/dbraw/zinc/75/87/88/571758788.db2.gz RMKOLNFGBGVJLX-MRVPVSSYSA-N 0 0 196.250 1.511 10 0 ADAERN O=C1CC[C@@H]2CCC=C[C@H]12 25891575 571758811 /nfs/dbraw/zinc/75/88/11/571758811.db2.gz LQQITVPNPBZYRY-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN CSCCN1C(=O)[C@H]2CCC[C@@H]21 687798796 571758829 /nfs/dbraw/zinc/75/88/29/571758829.db2.gz RXJGNBHAWKRVSL-YUMQZZPRSA-N 0 0 185.292 1.360 10 0 ADAERN CC[C@H]1CC[C@](CC(=O)[O-])([NH+](C)C)C1 70822395 571758833 /nfs/dbraw/zinc/75/88/33/571758833.db2.gz NHNHTYJNVLTHRX-ONGXEEELSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1nnc(N)o1 233864991 571758853 /nfs/dbraw/zinc/75/88/53/571758853.db2.gz CREVANYTEXXNBB-PHDIDXHHSA-N 0 0 184.243 1.498 10 0 ADAERN CC(C)[C@](C)(CC(=O)[O-])[NH+]1CCCC1 70821553 571758854 /nfs/dbraw/zinc/75/88/54/571758854.db2.gz STPPFVXTFKHZMZ-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CC[NH+](CC)[C@](C)(CC)CC(=O)[O-] 70822880 571758858 /nfs/dbraw/zinc/75/88/58/571758858.db2.gz SFKAUTBYBFPCDO-SNVBAGLBSA-N 0 0 187.283 1.972 10 0 ADAERN C[NH+](C)[C@H](CC(=O)[O-])c1ccsc1 70821910 571758872 /nfs/dbraw/zinc/75/88/72/571758872.db2.gz NKXSUEZWLWXCES-MRVPVSSYSA-N 0 0 199.275 1.826 10 0 ADAERN C[C@@H]1CCCC(=O)N1CC1CC1 687798822 571758881 /nfs/dbraw/zinc/75/88/81/571758881.db2.gz VMGDOFTZNCZFBT-MRVPVSSYSA-N 0 0 167.252 1.797 10 0 ADAERN C[C@](CC(=O)[O-])(C1CC1)[NH+]1CCCC1 70821604 571758882 /nfs/dbraw/zinc/75/88/82/571758882.db2.gz FLDQSFTVAYYSFD-NSHDSACASA-N 0 0 197.278 1.726 10 0 ADAERN C[C@@H]1C(=O)N[C@H]1Sc1ccccc1 205108506 571758905 /nfs/dbraw/zinc/75/89/05/571758905.db2.gz NETBYXFEFCCDGL-XCBNKYQSSA-N 0 0 193.271 1.871 10 0 ADAERN CCC[C@@](C)(CC(=O)[O-])[NH+](C)C 70821768 571758906 /nfs/dbraw/zinc/75/89/06/571758906.db2.gz JNGIDCOYGIGMQC-VIFPVBQESA-N 0 0 173.256 1.582 10 0 ADAERN O=C1CO[C@@H]2CCCC[C@@H]12 25878729 571758911 /nfs/dbraw/zinc/75/89/11/571758911.db2.gz FDJMYPDRQZWUDG-POYBYMJQSA-N 0 0 140.182 1.145 10 0 ADAERN CC(C)(CO)c1ccc(O)cc1 205122069 571758918 /nfs/dbraw/zinc/75/89/18/571758918.db2.gz VNWMHOBVNSDICP-UHFFFAOYSA-N 0 0 166.220 1.662 10 0 ADAERN CCO[C@@H](C)[C@H](O)c1ccnn1CC 70829274 571758923 /nfs/dbraw/zinc/75/89/23/571758923.db2.gz BZHQFDRIICYMPJ-WPRPVWTQSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1noc(/C=C\c2ccc[nH]2)n1 379358016 571758928 /nfs/dbraw/zinc/75/89/28/571758928.db2.gz UDTWKQVYAUOZDV-PLNGDYQASA-N 0 0 175.191 1.877 10 0 ADAERN O=C1CC[C@@H]2Nc3ccccc3CN12 205149269 571758934 /nfs/dbraw/zinc/75/89/34/571758934.db2.gz ALOLZHFDGIFNIZ-SNVBAGLBSA-N 0 0 188.230 1.561 10 0 ADAERN CCO[C@H](C)C(=O)c1cnccn1 70827862 571758951 /nfs/dbraw/zinc/75/89/51/571758951.db2.gz HTPBVCRMAJWJDM-SSDOTTSWSA-N 0 0 180.207 1.084 10 0 ADAERN CC1CCN(c2nccc(=O)[nH]2)CC1 1281301 571758955 /nfs/dbraw/zinc/75/89/55/571758955.db2.gz YOMACHKIBZMFLC-UHFFFAOYSA-N 0 0 193.250 1.006 10 0 ADAERN CCO[C@@H](C)C(=O)c1ccnn1CC 70828330 571758958 /nfs/dbraw/zinc/75/89/58/571758958.db2.gz HDXASDWAKVYYCY-QMMMGPOBSA-N 0 0 196.250 1.511 10 0 ADAERN CCO[C@H](C)C(=O)c1cncc(F)c1 70827542 571758960 /nfs/dbraw/zinc/75/89/60/571758960.db2.gz HOQUBTMWSMDTCC-SSDOTTSWSA-N 0 0 197.209 1.828 10 0 ADAERN CCO[C@@H](C)C(=O)c1cnn(C)c1 70828401 571758968 /nfs/dbraw/zinc/75/89/68/571758968.db2.gz JPKPEOXVUIBMQK-ZETCQYMHSA-N 0 0 182.223 1.028 10 0 ADAERN CCC(CC)[C@H](CC(=O)[O-])[NH+](C)C 70821824 571758979 /nfs/dbraw/zinc/75/89/79/571758979.db2.gz XZPXFQMAJWMDGB-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN CCO[C@@H](C)[C@H](O)c1cccnc1N 70829040 571758983 /nfs/dbraw/zinc/75/89/83/571758983.db2.gz UKZRIQKYWPSRAH-CBAPKCEASA-N 0 0 196.250 1.122 10 0 ADAERN CCCCC[C@@H](CC(=O)[O-])[NH+](C)C 70822476 571758995 /nfs/dbraw/zinc/75/89/95/571758995.db2.gz FBNNUXLXGABUTD-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN CCO[C@H](C)[C@H](O)C1CCOCC1 70829238 571759000 /nfs/dbraw/zinc/75/90/00/571759000.db2.gz HQAHTTWPVKFYOK-SCZZXKLOSA-N 0 0 188.267 1.199 10 0 ADAERN CCC[C@@H](C)[C@H](CC(=O)[O-])[NH+](C)C 70822242 571759017 /nfs/dbraw/zinc/75/90/17/571759017.db2.gz DLEBSEQMNQWBKV-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN CCO[C@H](C)[C@@H](O)c1cccnc1N 70829050 571759024 /nfs/dbraw/zinc/75/90/24/571759024.db2.gz UKZRIQKYWPSRAH-VXNVDRBHSA-N 0 0 196.250 1.122 10 0 ADAERN CC/C=C\C[C@H](O)CC(=O)OC 14495090 571759034 /nfs/dbraw/zinc/75/90/34/571759034.db2.gz CKUTUAFXZSQDSB-LGYSABEFSA-N 0 0 172.224 1.267 10 0 ADAERN CCO[C@@H](C)[C@H](O)C1CCOCC1 70829233 571759036 /nfs/dbraw/zinc/75/90/36/571759036.db2.gz HQAHTTWPVKFYOK-WPRPVWTQSA-N 0 0 188.267 1.199 10 0 ADAERN CC(C)C[C@@H](CC(=O)[O-])[NH+]1CCCC1 70821698 571759047 /nfs/dbraw/zinc/75/90/47/571759047.db2.gz UNNOKEYVCCECDQ-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cnn(C)c1Cl 712418577 571759055 /nfs/dbraw/zinc/75/90/55/571759055.db2.gz LVGRVLMRHXADSE-NKWVEPMBSA-N 0 0 198.653 1.766 10 0 ADAERN C/C=C/[C@H](O)[C@H](C(=O)OC)C(C)C 141575328 571759061 /nfs/dbraw/zinc/75/90/61/571759061.db2.gz WCKIYBVCUXCJKG-VFPASMGPSA-N 0 0 186.251 1.369 10 0 ADAERN CCO[C@H](C)C(=O)c1ccco1 70827845 571759110 /nfs/dbraw/zinc/75/91/10/571759110.db2.gz CJWSGPMJRLSZNF-SSDOTTSWSA-N 0 0 168.192 1.887 10 0 ADAERN C[C@@](CC(=O)[O-])(C1CC1)[NH+]1CCCC1 70821602 571759136 /nfs/dbraw/zinc/75/91/36/571759136.db2.gz FLDQSFTVAYYSFD-LLVKDONJSA-N 0 0 197.278 1.726 10 0 ADAERN C[C@H](O)CCC[C@@H]1CCO[C@@H](C)O1 14502631 571759148 /nfs/dbraw/zinc/75/91/48/571759148.db2.gz NSZRASDFTIVBDT-IVZWLZJFSA-N 0 0 188.267 1.689 10 0 ADAERN CC[NH+](CC)[C@H](CC(=O)[O-])C1CC1 70823004 571759156 /nfs/dbraw/zinc/75/91/56/571759156.db2.gz UEDCWYXSKVFRBV-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)[C@H]1CC(=O)[C@H](C)CC1=O 205149130 571759163 /nfs/dbraw/zinc/75/91/63/571759163.db2.gz VYOBOCQMKRSKAN-HTQZYQBOSA-N 0 0 168.236 1.827 10 0 ADAERN O=C1CC[C@]2(CCCCC2=O)O1 138893587 571759173 /nfs/dbraw/zinc/75/91/73/571759173.db2.gz AFJQYXWJJRZBRR-VIFPVBQESA-N 0 0 168.192 1.205 10 0 ADAERN CCNC(=O)C[C@@H](O)c1ccccc1 14504765 571759203 /nfs/dbraw/zinc/75/92/03/571759203.db2.gz LIJMTLRHZLTHSY-SNVBAGLBSA-N 0 0 193.246 1.246 10 0 ADAERN COCCCc1ccc(O)cc1 14504814 571759221 /nfs/dbraw/zinc/75/92/21/571759221.db2.gz UTCMCSUBKUIIOP-UHFFFAOYSA-N 0 0 166.220 1.971 10 0 ADAERN C=Cc1nc([C@H](C)OCC)no1 70826678 571759234 /nfs/dbraw/zinc/75/92/34/571759234.db2.gz NMOJQMYBOJYKPG-LURJTMIESA-N 0 0 168.196 1.810 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])c1ccsc1 70821909 571759241 /nfs/dbraw/zinc/75/92/41/571759241.db2.gz NKXSUEZWLWXCES-QMMMGPOBSA-N 0 0 199.275 1.826 10 0 ADAERN CCC(=O)CC/C(C)=C/CO 14490826 571759252 /nfs/dbraw/zinc/75/92/52/571759252.db2.gz IRTNHJQPZIGRLT-SOFGYWHQSA-N 0 0 156.225 1.684 10 0 ADAERN C[NH+](C)[C@@](C)(CC(=O)[O-])C1CC1 70822178 571759256 /nfs/dbraw/zinc/75/92/56/571759256.db2.gz LISSHZKRCBXXGH-VIFPVBQESA-N 0 0 171.240 1.191 10 0 ADAERN CCCCC[C@H](CC(=O)[O-])[NH+](C)C 70822480 571759282 /nfs/dbraw/zinc/75/92/82/571759282.db2.gz FBNNUXLXGABUTD-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN COC(=O)CCCC=C=CCO 14494953 571759314 /nfs/dbraw/zinc/75/93/14/571759314.db2.gz ISPVMFAFUVDHKP-UHFFFAOYSA-N 0 0 170.208 1.033 10 0 ADAERN O[C@@H]1OCC[C@]12C=CCCCC2 205109232 571759359 /nfs/dbraw/zinc/75/93/59/571759359.db2.gz STIIZKVPJUAFBB-NXEZZACHSA-N 0 0 168.236 1.842 10 0 ADAERN CCO[C@@H](c1ccc(O)cc1)[C@H](C)O 14504494 571759362 /nfs/dbraw/zinc/75/93/62/571759362.db2.gz DEWMLNMGECEYBQ-GZMMTYOYSA-N 0 0 196.246 1.851 10 0 ADAERN CC(C)C[C@H](CC(=O)[O-])[NH+]1CCCC1 70821700 571759404 /nfs/dbraw/zinc/75/94/04/571759404.db2.gz UNNOKEYVCCECDQ-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](F)[C@@H](C)C(=O)OC 220876487 571759410 /nfs/dbraw/zinc/75/94/10/571759410.db2.gz JMRQHHGQZYNZNZ-PHDIDXHHSA-N 0 0 148.177 1.544 10 0 ADAERN CN(C=O)CCc1ccc(O)cc1 14502764 571759445 /nfs/dbraw/zinc/75/94/45/571759445.db2.gz DVQFZUWVKFGZFY-UHFFFAOYSA-N 0 0 179.219 1.023 10 0 ADAERN CCCC[C@H](CC(=O)[O-])[NH+](C)C 70822639 571759448 /nfs/dbraw/zinc/75/94/48/571759448.db2.gz YHDCBFFAALQLHU-MRVPVSSYSA-N 0 0 173.256 1.582 10 0 ADAERN CC(C)=CCC/C(=C\CO)CO 14592841 571759466 /nfs/dbraw/zinc/75/94/66/571759466.db2.gz GIABTDUEDSBLGQ-UXBLZVDNSA-N 0 0 170.252 1.644 10 0 ADAERN C[C@H](O)CCC[C@H]1CCO[C@@H](C)O1 14502636 571759481 /nfs/dbraw/zinc/75/94/81/571759481.db2.gz NSZRASDFTIVBDT-AEJSXWLSSA-N 0 0 188.267 1.689 10 0 ADAERN C[NH+](C)[C@H](CC(=O)[O-])C(C)(C)C 70821827 571759486 /nfs/dbraw/zinc/75/94/86/571759486.db2.gz RLTVPCHBWNTSLS-SSDOTTSWSA-N 0 0 173.256 1.437 10 0 ADAERN C[NH+](C)[C@H](CC(=O)[O-])CC(C)(C)C 70821968 571759489 /nfs/dbraw/zinc/75/94/89/571759489.db2.gz CBPDOVDRVISMAH-MRVPVSSYSA-N 0 0 187.283 1.828 10 0 ADAERN CC/C=C\C[C@@H](O)CC(=O)OC 14495087 571759490 /nfs/dbraw/zinc/75/94/90/571759490.db2.gz CKUTUAFXZSQDSB-PULIVWKDSA-N 0 0 172.224 1.267 10 0 ADAERN CC(C)[C@@H]1CC(=O)[C@H](C)CC1=O 205149095 571759511 /nfs/dbraw/zinc/75/95/11/571759511.db2.gz VYOBOCQMKRSKAN-SFYZADRCSA-N 0 0 168.236 1.827 10 0 ADAERN CC(=O)OC/C=C/c1ccccc1O 14505082 571759587 /nfs/dbraw/zinc/75/95/87/571759587.db2.gz LVVKBEYERXTDCU-GQCTYLIASA-N 0 0 192.214 1.969 10 0 ADAERN O[C@@H]1CC[C@@H]2CCCC[C@H]21 25874286 571759602 /nfs/dbraw/zinc/75/96/02/571759602.db2.gz WHHUTBUNHHDROB-DJLDLDEBSA-N 0 0 140.226 1.948 10 0 ADAERN CCSc1c(Cl)c(=O)c1=O 205106541 571759608 /nfs/dbraw/zinc/75/96/08/571759608.db2.gz SQPSEURHNITBHJ-UHFFFAOYSA-N 0 0 176.624 1.048 10 0 ADAERN CCO[C@H](C)C(=O)c1cnn(CC)c1 70828266 571759641 /nfs/dbraw/zinc/75/96/41/571759641.db2.gz QNMHOQIKBRMDKU-MRVPVSSYSA-N 0 0 196.250 1.511 10 0 ADAERN CC[C@@H](C)[C@@H](CC(=O)[O-])[NH+](C)C 70822506 571759653 /nfs/dbraw/zinc/75/96/53/571759653.db2.gz SGBRMXNKKZDMBH-HTQZYQBOSA-N 0 0 173.256 1.437 10 0 ADAERN O=C1CC[C@H]2CC=CC[C@@H]12 25882307 571759657 /nfs/dbraw/zinc/75/96/57/571759657.db2.gz LOJATDUUSCWAOA-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN CC(C)[C@@H](CC(=O)[O-])[NH+]1CCCC1 70821565 571759658 /nfs/dbraw/zinc/75/96/58/571759658.db2.gz WBUTWWAFNLAIQJ-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN CCNC(=O)C[C@H](O)c1ccccc1 14504768 571759665 /nfs/dbraw/zinc/75/96/65/571759665.db2.gz LIJMTLRHZLTHSY-JTQLQIEISA-N 0 0 193.246 1.246 10 0 ADAERN CC[NH+](CC)[C@H](CC(=O)[O-])C(C)C 70822815 571759675 /nfs/dbraw/zinc/75/96/75/571759675.db2.gz RSJZGJLFSUCDDX-SECBINFHSA-N 0 0 187.283 1.828 10 0 ADAERN O=C1CC[C@H]2Nc3ccccc3CN12 205149287 571759686 /nfs/dbraw/zinc/75/96/86/571759686.db2.gz ALOLZHFDGIFNIZ-JTQLQIEISA-N 0 0 188.230 1.561 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+](CC)CC 70823081 571759706 /nfs/dbraw/zinc/75/97/06/571759706.db2.gz FEYRQTSYXBTOPR-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN CC[NH+](CC)[C@@](C)(CC)CC(=O)[O-] 70822878 571759715 /nfs/dbraw/zinc/75/97/15/571759715.db2.gz SFKAUTBYBFPCDO-JTQLQIEISA-N 0 0 187.283 1.972 10 0 ADAERN CC/C=C\C[C@@H](O)CC(=O)OCC 14495084 571759751 /nfs/dbraw/zinc/75/97/51/571759751.db2.gz UIWVSNIRNXLEKC-SSJHQANKSA-N 0 0 186.251 1.657 10 0 endogenous,in-man ADAERN CSCCN1C(=O)[C@H]2CCC[C@H]21 687798794 571759753 /nfs/dbraw/zinc/75/97/53/571759753.db2.gz RXJGNBHAWKRVSL-JGVFFNPUSA-N 0 0 185.292 1.360 10 0 ADAERN O=C1CC[C@H]2CCC=C[C@H]12 25891581 571759764 /nfs/dbraw/zinc/75/97/64/571759764.db2.gz LQQITVPNPBZYRY-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1Cl 712418576 571759771 /nfs/dbraw/zinc/75/97/71/571759771.db2.gz LVGRVLMRHXADSE-BQBZGAKWSA-N 0 0 198.653 1.766 10 0 ADAERN CCO[C@H](C)C(=O)c1cncnc1 70827946 571759773 /nfs/dbraw/zinc/75/97/73/571759773.db2.gz ADPBJXUMOJLBQK-SSDOTTSWSA-N 0 0 180.207 1.084 10 0 ADAERN CCO[C@@H](C)C(=O)c1nccn1C 70828452 571759779 /nfs/dbraw/zinc/75/97/79/571759779.db2.gz CQSNBBHOCNKQGC-ZETCQYMHSA-N 0 0 182.223 1.028 10 0 ADAERN O=C1CO[C@H]2CCCC[C@H]12 25878725 571759812 /nfs/dbraw/zinc/75/98/12/571759812.db2.gz FDJMYPDRQZWUDG-SVRRBLITSA-N 0 0 140.182 1.145 10 0 ADAERN C[NH+](C)[C@H](CC(=O)[O-])[C@@H]1CC=CCC1 70822218 571759827 /nfs/dbraw/zinc/75/98/27/571759827.db2.gz FHAUXHAKBMXCPB-NXEZZACHSA-N 0 0 197.278 1.748 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+]1CCCC1 70821702 571759832 /nfs/dbraw/zinc/75/98/32/571759832.db2.gz GGVKUMVDHRZKBO-VIFPVBQESA-N 0 0 185.267 1.726 10 0 ADAERN CSCCN1C(=O)[C@@H]2CCC[C@H]21 687798793 571759854 /nfs/dbraw/zinc/75/98/54/571759854.db2.gz RXJGNBHAWKRVSL-HTQZYQBOSA-N 0 0 185.292 1.360 10 0 ADAERN O=C1CC[C@@H]2CCC=C[C@@H]12 25891588 571759898 /nfs/dbraw/zinc/75/98/98/571759898.db2.gz LQQITVPNPBZYRY-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN COC(=O)CCCCCC[C@H](C)O 14492670 571759912 /nfs/dbraw/zinc/75/99/12/571759912.db2.gz WLCRWSKOIBILTE-VIFPVBQESA-N 0 0 188.267 1.881 10 0 ADAERN CCO[C@@H](c1ccc(O)cc1)[C@@H](C)O 14504488 571759932 /nfs/dbraw/zinc/75/99/32/571759932.db2.gz DEWMLNMGECEYBQ-LDYMZIIASA-N 0 0 196.246 1.851 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+](C)C 70822421 571759972 /nfs/dbraw/zinc/75/99/72/571759972.db2.gz OHTKWSNJWISQTL-SSDOTTSWSA-N 0 0 159.229 1.191 10 0 ADAERN CCO[C@H](C)C(=O)C1CCOCC1 70827604 571759977 /nfs/dbraw/zinc/75/99/77/571759977.db2.gz JWOIPBXWMFVKPU-MRVPVSSYSA-N 0 0 186.251 1.407 10 0 ADAERN c1ccn(CCCc2nnc[nH]2)c1 70820239 571759985 /nfs/dbraw/zinc/75/99/85/571759985.db2.gz OFJAOPLBWNXVIF-UHFFFAOYSA-N 0 0 176.223 1.239 10 0 ADAERN CC[C@](C)(OC)C(=O)Nc1ncc[nH]1 234138207 571759989 /nfs/dbraw/zinc/75/99/89/571759989.db2.gz YBVKLQDFZSIFEQ-VIFPVBQESA-N 0 0 197.238 1.163 10 0 ADAERN CCO[C@@H](C)[C@@H](O)C1CCOCC1 70829240 571759995 /nfs/dbraw/zinc/75/99/95/571759995.db2.gz HQAHTTWPVKFYOK-WCBMZHEXSA-N 0 0 188.267 1.199 10 0 ADAERN CC(C)OC(=O)NCc1ncc[nH]1 70819900 571759996 /nfs/dbraw/zinc/75/99/96/571759996.db2.gz WPMFTAXHCCQKBP-UHFFFAOYSA-N 0 0 183.211 1.044 10 0 ADAERN CC(C)[C@](C)(CC(=O)[O-])[NH+](C)C 70821956 571759998 /nfs/dbraw/zinc/75/99/98/571759998.db2.gz BIPSVKWHIGFINL-VIFPVBQESA-N 0 0 173.256 1.437 10 0 ADAERN CC(C)C[C@](C)(CC(=O)[O-])[NH+](C)C 70822106 571759999 /nfs/dbraw/zinc/75/99/99/571759999.db2.gz OGWGFOWRBIYGOH-SNVBAGLBSA-N 0 0 187.283 1.828 10 0 ADAERN CCO[C@@H](C)[C@@H](O)c1nccn1CC 70828765 571760000 /nfs/dbraw/zinc/76/00/00/571760000.db2.gz DCGLHCINRNANIT-DTWKUNHWSA-N 0 0 198.266 1.361 10 0 ADAERN C[C@H]1CCCC(=O)N1CC1CC1 687798823 571760001 /nfs/dbraw/zinc/76/00/01/571760001.db2.gz VMGDOFTZNCZFBT-QMMMGPOBSA-N 0 0 167.252 1.797 10 0 ADAERN CC[NH+](CC)[C@@](C)(CC(=O)[O-])C1CC1 70822887 571760002 /nfs/dbraw/zinc/76/00/02/571760002.db2.gz KSLHQYLMMQUMHV-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C)[C@@H](CC(=O)[O-])[NH+]1CCCC1 70821714 571760003 /nfs/dbraw/zinc/76/00/03/571760003.db2.gz YXXWCTCEMWOPDD-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CCO[C@H](C)C(=O)CCCOC 70828114 571760011 /nfs/dbraw/zinc/76/00/11/571760011.db2.gz VLMHKDSZTSLBJA-MRVPVSSYSA-N 0 0 174.240 1.407 10 0 ADAERN CCO[C@H](C)[C@H](O)c1cnn(CC)c1 70828620 571760015 /nfs/dbraw/zinc/76/00/15/571760015.db2.gz KXDWMVOUXQFCKF-SCZZXKLOSA-N 0 0 198.266 1.361 10 0 ADAERN CCO[C@H](C)C(=O)c1ccnn1CC 70828325 571760018 /nfs/dbraw/zinc/76/00/18/571760018.db2.gz HDXASDWAKVYYCY-MRVPVSSYSA-N 0 0 196.250 1.511 10 0 ADAERN CC(C)C[C@@](C)(CC(=O)[O-])[NH+](C)C 70822104 571760058 /nfs/dbraw/zinc/76/00/58/571760058.db2.gz OGWGFOWRBIYGOH-JTQLQIEISA-N 0 0 187.283 1.828 10 0 ADAERN CC(C)COC(=O)NCc1ncc[nH]1 70819908 571760064 /nfs/dbraw/zinc/76/00/64/571760064.db2.gz QTQLOPNCBKVLAN-UHFFFAOYSA-N 0 0 197.238 1.292 10 0 ADAERN CCO[C@H](C)C(=O)c1cnn(C)c1 70828404 571760071 /nfs/dbraw/zinc/76/00/71/571760071.db2.gz JPKPEOXVUIBMQK-SSDOTTSWSA-N 0 0 182.223 1.028 10 0 ADAERN CCO[C@@H](C)C(=O)CCCOC 70828112 571760074 /nfs/dbraw/zinc/76/00/74/571760074.db2.gz VLMHKDSZTSLBJA-QMMMGPOBSA-N 0 0 174.240 1.407 10 0 ADAERN CCC(CC)[C@@H](CC(=O)[O-])[NH+](C)C 70821820 571760093 /nfs/dbraw/zinc/76/00/93/571760093.db2.gz XZPXFQMAJWMDGB-SECBINFHSA-N 0 0 187.283 1.828 10 0 ADAERN CN(CC1CC1)c1ccnn1C 687798774 571760113 /nfs/dbraw/zinc/76/01/13/571760113.db2.gz YAMRCPQWSFAXOS-UHFFFAOYSA-N 0 0 165.240 1.266 10 0 ADAERN CC[NH+](CC)C(C)(C)CC(=O)[O-] 70823157 571760122 /nfs/dbraw/zinc/76/01/22/571760122.db2.gz XSSKMEXNQQEEEC-UHFFFAOYSA-N 0 0 173.256 1.582 10 0 ADAERN CCO[C@@H](C)[C@H](O)c1nccn1CC 70828771 571760128 /nfs/dbraw/zinc/76/01/28/571760128.db2.gz DCGLHCINRNANIT-IUCAKERBSA-N 0 0 198.266 1.361 10 0 ADAERN CCO[C@@H](C)C(=O)C1CCOCC1 70827600 571760131 /nfs/dbraw/zinc/76/01/31/571760131.db2.gz JWOIPBXWMFVKPU-QMMMGPOBSA-N 0 0 186.251 1.407 10 0 ADAERN CC[NH+](CC)[C@@H](CC(=O)[O-])C1CC1 70823000 571760142 /nfs/dbraw/zinc/76/01/42/571760142.db2.gz UEDCWYXSKVFRBV-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN CCCC[C@H](O)[C@H](C)OCC 70828925 571760144 /nfs/dbraw/zinc/76/01/44/571760144.db2.gz MITDVTIGJRJACB-IUCAKERBSA-N 0 0 160.257 1.963 10 0 ADAERN CC(C)C[C@H](CC(=O)[O-])[NH+](C)C 70822414 571760169 /nfs/dbraw/zinc/76/01/69/571760169.db2.gz YVGCPUAPFLPXPC-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN CCC[C@H](C)[C@H](CC(=O)[O-])[NH+](C)C 70822246 571760173 /nfs/dbraw/zinc/76/01/73/571760173.db2.gz DLEBSEQMNQWBKV-IUCAKERBSA-N 0 0 187.283 1.828 10 0 ADAERN CCCC[C@@H](O)[C@H](C)OCC 70828928 571760216 /nfs/dbraw/zinc/76/02/16/571760216.db2.gz MITDVTIGJRJACB-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN C/C=C\C(=O)N1CCOCC[C@@H]1C 379363673 571760226 /nfs/dbraw/zinc/76/02/26/571760226.db2.gz GOOPNCOVURFKRU-TYRPZCRBSA-N 0 0 183.251 1.200 10 0 ADAERN CCO[C@H](C)[C@@H](O)C1CCOCC1 70829243 571760230 /nfs/dbraw/zinc/76/02/30/571760230.db2.gz HQAHTTWPVKFYOK-PSASIEDQSA-N 0 0 188.267 1.199 10 0 ADAERN CC(C)Oc1noc2c1CNCC2 25964781 571760237 /nfs/dbraw/zinc/76/02/37/571760237.db2.gz AXBDODIFVCMCTK-UHFFFAOYSA-N 0 0 182.223 1.108 10 0 ADAERN COC(=O)CC(C)(C)[C@H](C)F 17503463 571760264 /nfs/dbraw/zinc/76/02/64/571760264.db2.gz YHFMKYZXMYSJLI-LURJTMIESA-N 0 0 162.204 1.934 10 0 ADAERN O=C([O-])C[C@@H](C1CC1)[NH+]1CCCC1 70821661 571760856 /nfs/dbraw/zinc/76/08/56/571760856.db2.gz NQFVZIAQWAULHP-VIFPVBQESA-N 0 0 183.251 1.336 10 0 ADAERN C[NH+](C)[C@H](CC(=O)[O-])C1CCCC1 70822352 571760266 /nfs/dbraw/zinc/76/02/66/571760266.db2.gz KQRNUYHSFTUTPF-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN CCO[C@H](C)C(=O)c1nccn1C 70828453 571760284 /nfs/dbraw/zinc/76/02/84/571760284.db2.gz CQSNBBHOCNKQGC-SSDOTTSWSA-N 0 0 182.223 1.028 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+](CC)CC 70823084 571760341 /nfs/dbraw/zinc/76/03/41/571760341.db2.gz FEYRQTSYXBTOPR-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ncc(OC)cn1 234138223 571760362 /nfs/dbraw/zinc/76/03/62/571760362.db2.gz BYKXTNQNXWFLHE-IONNQARKSA-N 0 0 193.250 1.696 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])[C@H]1CC=CCC1 70822211 571760366 /nfs/dbraw/zinc/76/03/66/571760366.db2.gz FHAUXHAKBMXCPB-UWVGGRQHSA-N 0 0 197.278 1.748 10 0 ADAERN C[NH+](C)[C@](C)(CC(=O)[O-])C1CC1 70822176 571760371 /nfs/dbraw/zinc/76/03/71/571760371.db2.gz LISSHZKRCBXXGH-SECBINFHSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)[C@@H](CC(=O)[O-])[NH+]1CCCCC1 70823265 571760374 /nfs/dbraw/zinc/76/03/74/571760374.db2.gz SFGCIHPIGVJHKM-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CCO[C@@H](C)C(=O)c1ccoc1 70828224 571760396 /nfs/dbraw/zinc/76/03/96/571760396.db2.gz QBLGTFIIKGTIIU-ZETCQYMHSA-N 0 0 168.192 1.887 10 0 ADAERN COCCC[C@@](C)(O)C1CCC1 393429979 571760397 /nfs/dbraw/zinc/76/03/97/571760397.db2.gz OMKNZGGIRYEUKM-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN C/C=C\Cn1cc(C#N)ccc1=O 379358802 571760349 /nfs/dbraw/zinc/76/03/49/571760349.db2.gz WMVFNNODZGCZBF-IHWYPQMZSA-N 0 0 174.203 1.296 10 0 ADAERN CNCC(F)(F)CC(F)(F)F 17402282 571760429 /nfs/dbraw/zinc/76/04/29/571760429.db2.gz RBNCSTGTIKAHDE-UHFFFAOYSA-N 0 0 177.116 1.794 10 0 ADAERN CCO[C@H](C)C(=O)c1cccnc1 70827731 571760430 /nfs/dbraw/zinc/76/04/30/571760430.db2.gz HQEXKKKHGSNWCD-MRVPVSSYSA-N 0 0 179.219 1.689 10 0 ADAERN C[NH2+][C@H](C)CC(C)(C)C(=O)[O-] 17532805 571760466 /nfs/dbraw/zinc/76/04/66/571760466.db2.gz JNPNLNMBXFHOCT-ZCFIWIBFSA-N 0 0 159.229 1.095 10 0 ADAERN CCO[C@@H](C)[C@H](O)c1cnn(CC)c1 70828628 571760472 /nfs/dbraw/zinc/76/04/72/571760472.db2.gz KXDWMVOUXQFCKF-WPRPVWTQSA-N 0 0 198.266 1.361 10 0 ADAERN CC[C@@H]1CC[C@@](CC(=O)[O-])([NH+](C)C)C1 70822385 571760487 /nfs/dbraw/zinc/76/04/87/571760487.db2.gz NHNHTYJNVLTHRX-MWLCHTKSSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)[C@@](C)(CC(=O)[O-])[NH+]1CCCC1 70821551 571760491 /nfs/dbraw/zinc/76/04/91/571760491.db2.gz STPPFVXTFKHZMZ-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN C=Cc1nc([C@@H](C)OCC)no1 70826681 571760529 /nfs/dbraw/zinc/76/05/29/571760529.db2.gz NMOJQMYBOJYKPG-ZCFIWIBFSA-N 0 0 168.196 1.810 10 0 ADAERN COCC(C)(C)/C=C/[C@H](C)O 17462394 571760530 /nfs/dbraw/zinc/76/05/30/571760530.db2.gz NDHGIVUJPZHILC-GJIOHYHPSA-N 0 0 158.241 1.596 10 0 ADAERN CSCC[C@H](CC(=O)[O-])[NH+](C)C 70822631 571760558 /nfs/dbraw/zinc/76/05/58/571760558.db2.gz AHHCQFDAKRVOMU-SSDOTTSWSA-N 0 0 191.296 1.144 10 0 ADAERN C/C=C\Cn1c(C)c(N)ccc1=O 379363514 571760580 /nfs/dbraw/zinc/76/05/80/571760580.db2.gz GIHOZTXVBRSRFJ-ARJAWSKDSA-N 0 0 178.235 1.315 10 0 ADAERN NN=Cc1nc2cc(F)ccc2s1 379363317 571760591 /nfs/dbraw/zinc/76/05/91/571760591.db2.gz JQJOWDVOKLOHFV-UHFFFAOYSA-N 0 0 195.222 1.728 10 0 ADAERN CCO[C@@H](C)C(=O)c1ccco1 70827844 571760604 /nfs/dbraw/zinc/76/06/04/571760604.db2.gz CJWSGPMJRLSZNF-ZETCQYMHSA-N 0 0 168.192 1.887 10 0 ADAERN CCO[C@H](C)C(=O)c1ccoc1 70828227 571760673 /nfs/dbraw/zinc/76/06/73/571760673.db2.gz QBLGTFIIKGTIIU-SSDOTTSWSA-N 0 0 168.192 1.887 10 0 ADAERN CSCCN1C(=O)[C@@H]2CCC[C@@H]21 687798795 571760685 /nfs/dbraw/zinc/76/06/85/571760685.db2.gz RXJGNBHAWKRVSL-SFYZADRCSA-N 0 0 185.292 1.360 10 0 ADAERN CC1(C)OC[C@H](/C=C/CCCO)O1 15809806 571760698 /nfs/dbraw/zinc/76/06/98/571760698.db2.gz MXCPZVKQYPKOQR-DNQSNQRASA-N 0 0 186.251 1.467 10 0 ADAERN CC[C@@](C)(CC(=O)[O-])[NH+]1CCCC1 70821596 571760699 /nfs/dbraw/zinc/76/06/99/571760699.db2.gz RKFROVDOIFJTOO-JTQLQIEISA-N 0 0 185.267 1.726 10 0 ADAERN C/C=C\C[C@@]1(C)OCCC[C@@H]1O 141689310 571760749 /nfs/dbraw/zinc/76/07/49/571760749.db2.gz HDPQSSOQPCZYQO-RWCMCFKCSA-N 0 0 170.252 1.883 10 0 ADAERN CCO[C@H](C)[C@@H](O)c1nccn1CC 70828754 571760750 /nfs/dbraw/zinc/76/07/50/571760750.db2.gz DCGLHCINRNANIT-RKDXNWHRSA-N 0 0 198.266 1.361 10 0 ADAERN CCO[C@H](C)[C@H](O)c1ccnn1CC 70829267 571760826 /nfs/dbraw/zinc/76/08/26/571760826.db2.gz BZHQFDRIICYMPJ-SCZZXKLOSA-N 0 0 198.266 1.361 10 0 ADAERN CC[C@@H]1CC[C@](CC(=O)[O-])([NH+](C)C)C1 70822392 571760845 /nfs/dbraw/zinc/76/08/45/571760845.db2.gz NHNHTYJNVLTHRX-KOLCDFICSA-N 0 0 199.294 1.972 10 0 ADAERN C[NH+](C)[C@H](CC(=O)[O-])[C@H]1CC=CCC1 70822214 571760867 /nfs/dbraw/zinc/76/08/67/571760867.db2.gz FHAUXHAKBMXCPB-VHSXEESVSA-N 0 0 197.278 1.748 10 0 ADAERN CC[C@](C)(CC(=O)[O-])[NH+]1CCCC1 70821598 571760875 /nfs/dbraw/zinc/76/08/75/571760875.db2.gz RKFROVDOIFJTOO-SNVBAGLBSA-N 0 0 185.267 1.726 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+](C)C 70822419 571760892 /nfs/dbraw/zinc/76/08/92/571760892.db2.gz OHTKWSNJWISQTL-ZETCQYMHSA-N 0 0 159.229 1.191 10 0 ADAERN CC[C@@H](C)[C@@H](CC(=O)[O-])[NH+]1CCCC1 70821711 571760900 /nfs/dbraw/zinc/76/09/00/571760900.db2.gz YXXWCTCEMWOPDD-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@](C)(O)[C@H](O)C(F)(F)F 17428734 571760907 /nfs/dbraw/zinc/76/09/07/571760907.db2.gz VUPQUXBZVMJKRZ-CRCLSJGQSA-N 0 0 172.146 1.071 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])CC(C)(C)C 70821969 571760966 /nfs/dbraw/zinc/76/09/66/571760966.db2.gz CBPDOVDRVISMAH-QMMMGPOBSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@@H](O)Cc1cc(O)ccc1O 17423018 571760987 /nfs/dbraw/zinc/76/09/87/571760987.db2.gz OJBAHOBUFNORDT-ZCFIWIBFSA-N 0 0 168.192 1.021 10 0 ADAERN COCC(C)(C)/C=C/[C@@H](C)O 17462390 571761020 /nfs/dbraw/zinc/76/10/20/571761020.db2.gz NDHGIVUJPZHILC-HQZHTGGTSA-N 0 0 158.241 1.596 10 0 ADAERN CC[NH+](CC)[C@@H](CC(=O)[O-])C(C)C 70822810 571761021 /nfs/dbraw/zinc/76/10/21/571761021.db2.gz RSJZGJLFSUCDDX-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN CCCC[C@@H](O)[C@@H](C)OCC 70828923 571761044 /nfs/dbraw/zinc/76/10/44/571761044.db2.gz MITDVTIGJRJACB-RKDXNWHRSA-N 0 0 160.257 1.963 10 0 ADAERN OC/C=C\CC1(O)CCCCC1 141689111 571761046 /nfs/dbraw/zinc/76/10/46/571761046.db2.gz RUUQXNFBELYNRW-PLNGDYQASA-N 0 0 170.252 1.620 10 0 ADAERN CCO[C@@H](C)[C@@H](O)c1cnn(CC)c1 70828625 571761058 /nfs/dbraw/zinc/76/10/58/571761058.db2.gz KXDWMVOUXQFCKF-WCBMZHEXSA-N 0 0 198.266 1.361 10 0 ADAERN COC(=O)C[C@@](C)(F)C(C)C 17503602 571761076 /nfs/dbraw/zinc/76/10/76/571761076.db2.gz CJVXZGHEOSHCJM-MRVPVSSYSA-N 0 0 162.204 1.934 10 0 ADAERN CCO[C@H](C)[C@H](O)c1nccn1CC 70828761 571761100 /nfs/dbraw/zinc/76/11/00/571761100.db2.gz DCGLHCINRNANIT-BDAKNGLRSA-N 0 0 198.266 1.361 10 0 ADAERN CC(C)C[C@@H](CC(=O)[O-])[NH+](C)C 70822411 571761113 /nfs/dbraw/zinc/76/11/13/571761113.db2.gz YVGCPUAPFLPXPC-QMMMGPOBSA-N 0 0 173.256 1.437 10 0 ADAERN CC[NH+](CC)C1(CC(=O)[O-])CCC1 70823173 571761128 /nfs/dbraw/zinc/76/11/28/571761128.db2.gz SYACKWOAHUEVTM-UHFFFAOYSA-N 0 0 185.267 1.726 10 0 ADAERN CCO[C@@H](C)[C@@H](O)c1cccnc1N 70829046 571761232 /nfs/dbraw/zinc/76/12/32/571761232.db2.gz UKZRIQKYWPSRAH-IONNQARKSA-N 0 0 196.250 1.122 10 0 ADAERN CC[C@@](C)(O)C(=O)C(F)(F)F 17434071 571761271 /nfs/dbraw/zinc/76/12/71/571761271.db2.gz FILJMLAZSKWKKL-RXMQYKEDSA-N 0 0 170.130 1.279 10 0 ADAERN C[C@@H](O)C(F)(F)CC(F)(F)F 17404537 571761294 /nfs/dbraw/zinc/76/12/94/571761294.db2.gz GTILPEKHRYLGBV-GSVOUGTGSA-N 0 0 178.100 1.955 10 0 ADAERN COCCC[C@](C)(O)C1CCC1 393429975 571761321 /nfs/dbraw/zinc/76/13/21/571761321.db2.gz OMKNZGGIRYEUKM-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN O=C1CNc2cccnc21 25924068 571761340 /nfs/dbraw/zinc/76/13/40/571761340.db2.gz MTBQSJZUCZMKFM-UHFFFAOYSA-N 0 0 134.138 1.269 10 0 ADAERN CC(C)OC[C@](C)(O)C(F)F 17546871 571761374 /nfs/dbraw/zinc/76/13/74/571761374.db2.gz YNEZFKMIEWVKRU-ZETCQYMHSA-N 0 0 168.183 1.428 10 0 ADAERN CCCC(C)(C)CNC(C)=O 17453655 571761358 /nfs/dbraw/zinc/76/13/58/571761358.db2.gz KPWRODVXEGSKLO-UHFFFAOYSA-N 0 0 157.257 1.949 10 0 ADAERN CC(C)c1noc(C[C@H](O)C2CC2)n1 70998281 571761457 /nfs/dbraw/zinc/76/14/57/571761457.db2.gz ALLJHIYXLUAFQG-QMMMGPOBSA-N 0 0 196.250 1.506 10 0 ADAERN CC(=O)CN(C)CC(C)(F)F 17409115 571761463 /nfs/dbraw/zinc/76/14/63/571761463.db2.gz LWMOJZOXEHMPFZ-UHFFFAOYSA-N 0 0 165.183 1.162 10 0 ADAERN CCOc1noc2c1CN(C)CC2 25967943 571761467 /nfs/dbraw/zinc/76/14/67/571761467.db2.gz YSHPQMMSTNNGSN-UHFFFAOYSA-N 0 0 182.223 1.061 10 0 ADAERN CC(C)[C@](C)([NH3+])CCC(=O)[O-] 17547415 571761478 /nfs/dbraw/zinc/76/14/78/571761478.db2.gz YTBKBLNMZDWBEE-MRVPVSSYSA-N 0 0 159.229 1.225 10 0 ADAERN CCc1noc(CCC(C)=O)n1 70996929 571761489 /nfs/dbraw/zinc/76/14/89/571761489.db2.gz QKKKZJNKULLKOC-UHFFFAOYSA-N 0 0 168.196 1.154 10 0 ADAERN CC(C)[C@H](O)Cc1nc(C2CC2)no1 70998346 571761568 /nfs/dbraw/zinc/76/15/68/571761568.db2.gz FZBCCWCAUDZUAA-MRVPVSSYSA-N 0 0 196.250 1.506 10 0 ADAERN CC[C@H](c1nc(C2CC2)no1)[C@@H](C)O 70998323 571761574 /nfs/dbraw/zinc/76/15/74/571761574.db2.gz DUHVUMLWNXOQBC-SVRRBLITSA-N 0 0 196.250 1.821 10 0 ADAERN CC[C@](C)(O)[C@H](O)C(F)(F)F 17428739 571761578 /nfs/dbraw/zinc/76/15/78/571761578.db2.gz VUPQUXBZVMJKRZ-WHFBIAKZSA-N 0 0 172.146 1.071 10 0 ADAERN COCC(C)(C)/C=C\[C@H](C)O 17462392 571761606 /nfs/dbraw/zinc/76/16/06/571761606.db2.gz NDHGIVUJPZHILC-SLGIHZDVSA-N 0 0 158.241 1.596 10 0 ADAERN C/C=C\C(=O)N1CCOCC[C@H]1C 379363676 571761622 /nfs/dbraw/zinc/76/16/22/571761622.db2.gz GOOPNCOVURFKRU-ZBJFTSOASA-N 0 0 183.251 1.200 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cn(C)cn1 233866066 571761626 /nfs/dbraw/zinc/76/16/26/571761626.db2.gz JVGIWGHQUJHKLR-APPZFPTMSA-N 0 0 168.240 1.500 10 0 ADAERN CC1(C)CC(F)(F)CC(=O)N1 17419066 571761627 /nfs/dbraw/zinc/76/16/27/571761627.db2.gz GUBHIEIJXFKXGJ-UHFFFAOYSA-N 0 0 163.167 1.310 10 0 ADAERN CCO[C@@H](C)[C@@H](O)c1cccnc1 70829954 571761655 /nfs/dbraw/zinc/76/16/55/571761655.db2.gz VVUOSLWNOLMBPQ-WCBMZHEXSA-N 0 0 181.235 1.540 10 0 ADAERN CC(C)c1noc(CC[C@@H](C)O)n1 70998245 571761680 /nfs/dbraw/zinc/76/16/80/571761680.db2.gz CLHCECZFNXNGDG-SSDOTTSWSA-N 0 0 184.239 1.506 10 0 ADAERN CCc1noc(CC(=O)C2CC2)n1 70996942 571761694 /nfs/dbraw/zinc/76/16/94/571761694.db2.gz SMKSVAKZFRQRKV-UHFFFAOYSA-N 0 0 180.207 1.154 10 0 ADAERN CC(=O)[C@@H](Cc1cnsn1)C(C)C 400005592 571761698 /nfs/dbraw/zinc/76/16/98/571761698.db2.gz YRGUJRWYJAOJQV-VIFPVBQESA-N 0 0 198.291 1.942 10 0 ADAERN COCC(C)(C)CC(C)(C)O 17402287 571761711 /nfs/dbraw/zinc/76/17/11/571761711.db2.gz CXOVMDXMHVZQGG-UHFFFAOYSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)OC[C@@](C)(O)C(F)F 17546869 571761721 /nfs/dbraw/zinc/76/17/21/571761721.db2.gz YNEZFKMIEWVKRU-SSDOTTSWSA-N 0 0 168.183 1.428 10 0 ADAERN CC(=O)NC1(C)CC(F)(F)C1 17424476 571761727 /nfs/dbraw/zinc/76/17/27/571761727.db2.gz MXKWJUWJSIJAKQ-UHFFFAOYSA-N 0 0 163.167 1.310 10 0 ADAERN CN(C)C(C)(C)C(=O)C(F)F 17491219 571761730 /nfs/dbraw/zinc/76/17/30/571761730.db2.gz JSKGXEVHFSDTNH-UHFFFAOYSA-N 0 0 165.183 1.161 10 0 ADAERN C[C@@H](O)CCc1nc(C(C)(C)C)no1 70997578 571761739 /nfs/dbraw/zinc/76/17/39/571761739.db2.gz XQUVFTNUDSADHZ-SSDOTTSWSA-N 0 0 198.266 1.681 10 0 ADAERN CCCc1noc([C@H](C)C(C)=O)n1 70997037 571761763 /nfs/dbraw/zinc/76/17/63/571761763.db2.gz PTKTWTHUYGRGRL-ZCFIWIBFSA-N 0 0 182.223 1.715 10 0 ADAERN CC(C)c1noc(C[C@@H](O)C(C)C)n1 70998224 571761764 /nfs/dbraw/zinc/76/17/64/571761764.db2.gz RXLNTYUSNGDJKD-MRVPVSSYSA-N 0 0 198.266 1.752 10 0 ADAERN CC(F)(F)COC(C)(C)CO 17438735 571761772 /nfs/dbraw/zinc/76/17/72/571761772.db2.gz IGFZJYCRYKSDSM-UHFFFAOYSA-N 0 0 168.183 1.429 10 0 ADAERN CC(=O)CCc1nc(C(C)(C)C)no1 70996587 571761780 /nfs/dbraw/zinc/76/17/80/571761780.db2.gz ATEXWXULGRNNKN-UHFFFAOYSA-N 0 0 196.250 1.889 10 0 ADAERN COCC(C)(C)/C=C\[C@@H](C)O 17462388 571761814 /nfs/dbraw/zinc/76/18/14/571761814.db2.gz NDHGIVUJPZHILC-RPSMYOMKSA-N 0 0 158.241 1.596 10 0 ADAERN CCCc1noc(CC(=O)CC)n1 70997022 571761815 /nfs/dbraw/zinc/76/18/15/571761815.db2.gz GYTCSTSCYVHGLX-UHFFFAOYSA-N 0 0 182.223 1.544 10 0 ADAERN CC(C)[C@@](C)([NH3+])CCC(=O)[O-] 17547413 571761834 /nfs/dbraw/zinc/76/18/34/571761834.db2.gz YTBKBLNMZDWBEE-QMMMGPOBSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@](C)(O)C(=O)C(F)(F)F 17434073 571761854 /nfs/dbraw/zinc/76/18/54/571761854.db2.gz FILJMLAZSKWKKL-YFKPBYRVSA-N 0 0 170.130 1.279 10 0 ADAERN C/C(=C\[C@@H](C)O)CC(C)(C)O 17410391 571761872 /nfs/dbraw/zinc/76/18/72/571761872.db2.gz NYLIWYGIONCENF-WVXIBAHESA-N 0 0 158.241 1.475 10 0 ADAERN CC[C@H]([NH3+])CC(C)(C)C(=O)[O-] 17505210 571761890 /nfs/dbraw/zinc/76/18/90/571761890.db2.gz XIXSLDRRDFGGKM-LURJTMIESA-N 0 0 159.229 1.225 10 0 ADAERN CC(C)c1noc(C[C@H](O)C(C)C)n1 70998221 571761912 /nfs/dbraw/zinc/76/19/12/571761912.db2.gz RXLNTYUSNGDJKD-QMMMGPOBSA-N 0 0 198.266 1.752 10 0 ADAERN CC(C)(C)CC(C)(CO)CO 17439903 571761913 /nfs/dbraw/zinc/76/19/13/571761913.db2.gz PCNIYHDSIWGFDP-UHFFFAOYSA-N 0 0 160.257 1.414 10 0 ADAERN CCc1noc([C@@H](C(C)=O)C(C)C)n1 70996938 571761934 /nfs/dbraw/zinc/76/19/34/571761934.db2.gz VHNBWKCTCHZKJY-SECBINFHSA-N 0 0 196.250 1.961 10 0 ADAERN CC[C@@H](O)Cc1nc(C(C)C)no1 70998217 571761941 /nfs/dbraw/zinc/76/19/41/571761941.db2.gz QPOMVHJSBDRLTE-SSDOTTSWSA-N 0 0 184.239 1.506 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@H]1CCC[C@@H]1C 70831541 571761946 /nfs/dbraw/zinc/76/19/46/571761946.db2.gz JBIBCPSJORLUFH-CIUDSAMLSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@@H]1C[C@@H](C)C(=O)N1C[C@@H](C)O 687799124 571761951 /nfs/dbraw/zinc/76/19/51/571761951.db2.gz VDRAXDIGYODYFC-IWSPIJDZSA-N 0 0 185.267 1.014 10 0 ADAERN CCO[C@@H](C)[C@H](O)C1CCCC1 70829894 571762023 /nfs/dbraw/zinc/76/20/23/571762023.db2.gz UHLPYYXLTZQAEU-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CSCc1noc(CC(C)=O)n1 70996523 571761988 /nfs/dbraw/zinc/76/19/88/571761988.db2.gz XIKDRGFMYJIIIT-UHFFFAOYSA-N 0 0 186.236 1.064 10 0 ADAERN CC(C)c1noc(CC[C@H](C)O)n1 70998248 571762012 /nfs/dbraw/zinc/76/20/12/571762012.db2.gz CLHCECZFNXNGDG-ZETCQYMHSA-N 0 0 184.239 1.506 10 0 ADAERN CC(C)[C@@H](O)Cc1nc(C2CC2)no1 70998347 571762035 /nfs/dbraw/zinc/76/20/35/571762035.db2.gz FZBCCWCAUDZUAA-QMMMGPOBSA-N 0 0 196.250 1.506 10 0 ADAERN CC(=O)CCc1nc(C(C)C)no1 70996846 571762061 /nfs/dbraw/zinc/76/20/61/571762061.db2.gz HDKYCIUQJXRTAZ-UHFFFAOYSA-N 0 0 182.223 1.715 10 0 ADAERN CC(F)(F)CC(C)(CO)CO 17439959 571762063 /nfs/dbraw/zinc/76/20/63/571762063.db2.gz NCDIWWUVMNYXLN-UHFFFAOYSA-N 0 0 168.183 1.023 10 0 ADAERN C[C@@H]([NH+](C)C)C(C)(C)C(=O)[O-] 17486030 571762074 /nfs/dbraw/zinc/76/20/74/571762074.db2.gz ROQKOTKZHBISHO-ZCFIWIBFSA-N 0 0 159.229 1.047 10 0 ADAERN CCCc1noc(CCC(C)=O)n1 70997032 571762107 /nfs/dbraw/zinc/76/21/07/571762107.db2.gz PBILAYCBNRRNHA-UHFFFAOYSA-N 0 0 182.223 1.544 10 0 ADAERN CC(C)Cc1noc([C@@H](C)[C@@H](C)O)n1 70997894 571762111 /nfs/dbraw/zinc/76/21/11/571762111.db2.gz NAEKHFDFVCFWLY-JGVFFNPUSA-N 0 0 198.266 1.752 10 0 ADAERN CC(=O)CCc1nc(CC(C)C)no1 70996710 571762130 /nfs/dbraw/zinc/76/21/30/571762130.db2.gz POFWSVGGEBRRMD-UHFFFAOYSA-N 0 0 196.250 1.790 10 0 ADAERN COC[C@H](C)[C@]1(O)CCOC[C@H]1C 687799446 571762132 /nfs/dbraw/zinc/76/21/32/571762132.db2.gz MIAGCSLAZLDFRZ-IVZWLZJFSA-N 0 0 188.267 1.056 10 0 ADAERN CC(=O)[C@H](C)c1nc(CC(C)C)no1 70996714 571762155 /nfs/dbraw/zinc/76/21/55/571762155.db2.gz IXDZZWFUHNIIEB-ZETCQYMHSA-N 0 0 196.250 1.961 10 0 ADAERN NC(=O)CC(F)(F)C(F)(F)F 17414725 571762157 /nfs/dbraw/zinc/76/21/57/571762157.db2.gz GJGQONAOQWWAIR-UHFFFAOYSA-N 0 0 177.072 1.059 10 0 ADAERN CCC(=O)Cc1nc(C(C)C)no1 70996833 571762190 /nfs/dbraw/zinc/76/21/90/571762190.db2.gz WSULWHKZBRFLSL-UHFFFAOYSA-N 0 0 182.223 1.715 10 0 ADAERN CCO[C@H](C)[C@@H](O)C1CCCC1 70829903 571762193 /nfs/dbraw/zinc/76/21/93/571762193.db2.gz UHLPYYXLTZQAEU-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN CCCC(C)(C)CNC(N)=O 17453679 571762207 /nfs/dbraw/zinc/76/22/07/571762207.db2.gz SXGIZYYETWCKQP-UHFFFAOYSA-N 0 0 158.245 1.481 10 0 ADAERN CC[C@](C)(O)[C@@H](O)C(F)(F)F 17428731 571762269 /nfs/dbraw/zinc/76/22/69/571762269.db2.gz VUPQUXBZVMJKRZ-UHNVWZDZSA-N 0 0 172.146 1.071 10 0 ADAERN C=CC[C@@H]1[C@@H]2CCC(=O)[C@@H]21 26284524 571762293 /nfs/dbraw/zinc/76/22/93/571762293.db2.gz BCFFPZSQULKHSO-BKPPORCPSA-N 0 0 136.194 1.788 10 0 ADAERN CCO[C@H](C)[C@H](O)c1cncc(F)c1 70830316 571762298 /nfs/dbraw/zinc/76/22/98/571762298.db2.gz KQRYKKSUWVBSOT-XCBNKYQSSA-N 0 0 199.225 1.679 10 0 ADAERN Cn1cc(N[C@@H]2C[C@H]3CC=C[C@@H]32)cn1 37259899 571762304 /nfs/dbraw/zinc/76/23/04/571762304.db2.gz SJFGRLIEEGCVHT-DVVUODLYSA-N 0 0 189.262 1.797 10 0 ADAERN CCc1noc(CC(=O)C(F)F)n1 70996940 571762321 /nfs/dbraw/zinc/76/23/21/571762321.db2.gz MJQOVODIAGEVIG-UHFFFAOYSA-N 0 0 190.149 1.009 10 0 ADAERN COC(=O)CC(C)(C)[C@@H](C)F 17503461 571762329 /nfs/dbraw/zinc/76/23/29/571762329.db2.gz YHFMKYZXMYSJLI-ZCFIWIBFSA-N 0 0 162.204 1.934 10 0 ADAERN CC(C)C(=O)Cc1nc(C(C)C)no1 70996835 571762357 /nfs/dbraw/zinc/76/23/57/571762357.db2.gz HFUZHJIZYMFAGY-UHFFFAOYSA-N 0 0 196.250 1.961 10 0 ADAERN CCC(=O)Cc1nc(CC)no1 70996920 571762359 /nfs/dbraw/zinc/76/23/59/571762359.db2.gz BSDQVLSLUUHZQY-UHFFFAOYSA-N 0 0 168.196 1.154 10 0 ADAERN O=C1C[C@H]2C=CC=CC[C@H]12 26274157 571762371 /nfs/dbraw/zinc/76/23/71/571762371.db2.gz MWYVXAGZVCSJHD-SFYZADRCSA-N 0 0 134.178 1.708 10 0 ADAERN CCC(=O)Cc1nc(C(C)(C)C)no1 70996579 571762386 /nfs/dbraw/zinc/76/23/86/571762386.db2.gz JMGIFBBEKTVCMU-UHFFFAOYSA-N 0 0 196.250 1.889 10 0 ADAERN CC[C@@H]([NH3+])CC(C)(C)C(=O)[O-] 17505208 571762389 /nfs/dbraw/zinc/76/23/89/571762389.db2.gz XIXSLDRRDFGGKM-ZCFIWIBFSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@@](C)(O)[C@@H](O)C(F)(F)F 17428727 571762402 /nfs/dbraw/zinc/76/24/02/571762402.db2.gz VUPQUXBZVMJKRZ-RFZPGFLSSA-N 0 0 172.146 1.071 10 0 ADAERN 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571763539 /nfs/dbraw/zinc/76/35/39/571763539.db2.gz JCNRAZPJHGGKMY-UHFFFAOYSA-N 0 0 189.324 1.809 10 0 ADAERN C/C=C\[C@@H](O)CC(C)(C)CO 17676443 571763558 /nfs/dbraw/zinc/76/35/58/571763558.db2.gz AVTRPVKFUWGSSO-PULIVWKDSA-N 0 0 158.241 1.332 10 0 ADAERN CCC[C@H](OCC)[C@H](N)C(F)F 687799448 571763563 /nfs/dbraw/zinc/76/35/63/571763563.db2.gz NUCMQLOWYOMLLT-BQBZGAKWSA-N 0 0 181.226 1.784 10 0 ADAERN CC[C@@H]1C[C@@H](C)C(=O)N1C[C@H](C)O 687799123 571763569 /nfs/dbraw/zinc/76/35/69/571763569.db2.gz VDRAXDIGYODYFC-HRDYMLBCSA-N 0 0 185.267 1.014 10 0 ADAERN CCO[C@@H](C)[C@@H](O)c1cncc(F)c1 70830325 571763597 /nfs/dbraw/zinc/76/35/97/571763597.db2.gz KQRYKKSUWVBSOT-OIBJUYFYSA-N 0 0 199.225 1.679 10 0 ADAERN CC[C@@H]1C[C@H](C)C(=O)N1C[C@@H](C)O 687799122 571763615 /nfs/dbraw/zinc/76/36/15/571763615.db2.gz VDRAXDIGYODYFC-DJLDLDEBSA-N 0 0 185.267 1.014 10 0 ADAERN CCC[C@H](O)CCCC(C)=O 220576660 571763618 /nfs/dbraw/zinc/76/36/18/571763618.db2.gz YOIWSXZPIFQLQJ-VIFPVBQESA-N 0 0 158.241 1.907 10 0 ADAERN CC(C)c1noc(CC(=O)C2CC2)n1 70996858 571763625 /nfs/dbraw/zinc/76/36/25/571763625.db2.gz NTBBAPXWISIPQJ-UHFFFAOYSA-N 0 0 194.234 1.715 10 0 ADAERN CCO[C@@H](C)[C@H](O)c1ccoc1 70830154 571763641 /nfs/dbraw/zinc/76/36/41/571763641.db2.gz HBOHLQKHZKPUCT-CBAPKCEASA-N 0 0 170.208 1.738 10 0 ADAERN O[C@@H]1C[C@H]2CCCCC[C@@H]12 26254730 571763647 /nfs/dbraw/zinc/76/36/47/571763647.db2.gz GNJQANDCKMOKTQ-IWSPIJDZSA-N 0 0 140.226 1.948 10 0 ADAERN CC(=O)c1nc(CCC(C)C)no1 70997336 571763665 /nfs/dbraw/zinc/76/36/65/571763665.db2.gz AKSQXGQFXUBSLE-UHFFFAOYSA-N 0 0 182.223 1.861 10 0 ADAERN O=C(Cc1nc(C2CC2)no1)C1CC1 70996900 571763699 /nfs/dbraw/zinc/76/36/99/571763699.db2.gz OJSZXDNHELNVDR-UHFFFAOYSA-N 0 0 192.218 1.469 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]1C(C)(C)C 142126943 571771235 /nfs/dbraw/zinc/77/12/35/571771235.db2.gz MNAHERGTAWFDEZ-RQJHMYQMSA-N 0 0 156.225 1.842 10 0 ADAERN [NH3+]Cc1coc2cccc(C(=O)[O-])c12 214622749 571763780 /nfs/dbraw/zinc/76/37/80/571763780.db2.gz JZHZEAAJBASWBM-UHFFFAOYSA-N 0 0 191.186 1.590 10 0 ADAERN CCSC(=O)CC(=O)CCOC 38996415 571774859 /nfs/dbraw/zinc/77/48/59/571774859.db2.gz ITLOPEDPFQGMMF-UHFFFAOYSA-N 0 0 190.264 1.262 10 0 ADAERN CCC(=O)Cc1nc(C2CC2)no1 70996877 571763793 /nfs/dbraw/zinc/76/37/93/571763793.db2.gz QPBLJAJMXNYYQC-UHFFFAOYSA-N 0 0 180.207 1.469 10 0 ADAERN CC(C)Cc1noc([C@H](C)[C@@H](C)O)n1 70997896 571763807 /nfs/dbraw/zinc/76/38/07/571763807.db2.gz NAEKHFDFVCFWLY-HTQZYQBOSA-N 0 0 198.266 1.752 10 0 ADAERN CCO[C@@H](C)[C@@H](O)CCCOC 70830410 571763817 /nfs/dbraw/zinc/76/38/17/571763817.db2.gz YXDMVXJCDVJBLO-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN Cc1cc(C2OCCO2)ncc1N 38434272 571763868 /nfs/dbraw/zinc/76/38/68/571763868.db2.gz ZRNIGNUWCNXGQI-UHFFFAOYSA-N 0 0 180.207 1.018 10 0 ADAERN CCO[C@H](C)[C@@H](O)c1ccoc1 70830167 571763885 /nfs/dbraw/zinc/76/38/85/571763885.db2.gz HBOHLQKHZKPUCT-VXNVDRBHSA-N 0 0 170.208 1.738 10 0 ADAERN C=CC[C@H]1[C@@H]2CCC(=O)[C@H]12 26284528 571763925 /nfs/dbraw/zinc/76/39/25/571763925.db2.gz BCFFPZSQULKHSO-ACLDMZEESA-N 0 0 136.194 1.788 10 0 ADAERN C[C@@H](C1CC1)[N@H+](C)C/C=C\C(=O)[O-] 220583953 571763950 /nfs/dbraw/zinc/76/39/50/571763950.db2.gz HISJGCUWXFZSMH-VEMNSZJBSA-N 0 0 183.251 1.358 10 0 ADAERN CCO[C@H](C)[C@H](O)c1ccoc1 70830159 571763996 /nfs/dbraw/zinc/76/39/96/571763996.db2.gz HBOHLQKHZKPUCT-APPZFPTMSA-N 0 0 170.208 1.738 10 0 ADAERN CCO[C@@H](C)[C@@H](O)C1CCCC1 70829899 571764030 /nfs/dbraw/zinc/76/40/30/571764030.db2.gz UHLPYYXLTZQAEU-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CCc1noc([C@H](C(C)=O)C(C)C)n1 70996937 571764069 /nfs/dbraw/zinc/76/40/69/571764069.db2.gz VHNBWKCTCHZKJY-VIFPVBQESA-N 0 0 196.250 1.961 10 0 ADAERN Cc1cc(C)n([C@@H](C)CCO)n1 26547434 571767243 /nfs/dbraw/zinc/76/72/43/571767243.db2.gz JMJNCQWEELVHOG-QMMMGPOBSA-N 0 0 168.240 1.443 10 0 ADAERN C[C@H](O)CCc1nc(C(C)(C)C)no1 70997572 571764105 /nfs/dbraw/zinc/76/41/05/571764105.db2.gz XQUVFTNUDSADHZ-ZETCQYMHSA-N 0 0 198.266 1.681 10 0 ADAERN CCO[C@H](C)[C@@H](O)CCCOC 70830412 571764107 /nfs/dbraw/zinc/76/41/07/571764107.db2.gz YXDMVXJCDVJBLO-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN Cc1[nH]cnc1-c1ccncc1 26280575 571764109 /nfs/dbraw/zinc/76/41/09/571764109.db2.gz ATYTYVKYKFABBJ-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN Cc1cnn(CC(C)(C)CO)c1 687798824 571764129 /nfs/dbraw/zinc/76/41/29/571764129.db2.gz XNOBFOXUVADBCK-UHFFFAOYSA-N 0 0 168.240 1.210 10 0 ADAERN CCOC(=O)CC(C)(C)CF 17673495 571764147 /nfs/dbraw/zinc/76/41/47/571764147.db2.gz UMURZETVJVMQPO-UHFFFAOYSA-N 0 0 162.204 1.935 10 0 ADAERN CCO[C@H](C)[C@H](O)C1CCCC1 70829897 571764149 /nfs/dbraw/zinc/76/41/49/571764149.db2.gz UHLPYYXLTZQAEU-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](O)Cc1nc(C(C)C)no1 70998215 571764153 /nfs/dbraw/zinc/76/41/53/571764153.db2.gz QPOMVHJSBDRLTE-ZETCQYMHSA-N 0 0 184.239 1.506 10 0 ADAERN CCC1(NC(=O)[C@@](C)([NH3+])CC)CCC1 229493283 571764156 /nfs/dbraw/zinc/76/41/56/571764156.db2.gz YWZGALOZZSVVAG-JTQLQIEISA-N 0 0 198.310 1.563 10 0 ADAERN CCOC(=O)c1nc(C(C)C)nn1C 71009436 571767244 /nfs/dbraw/zinc/76/72/44/571767244.db2.gz MCSAMQCBWRSMQL-UHFFFAOYSA-N 0 0 197.238 1.115 10 0 ADAERN C[C@@H]1CNc2ccoc2O1 18563200 571767245 /nfs/dbraw/zinc/76/72/45/571767245.db2.gz UJJOHBUSZIUMJS-RXMQYKEDSA-N 0 0 139.154 1.472 10 0 ADAERN COC[C@H](C)[C@@]1(O)CCOC[C@@H]1C 687799445 571764176 /nfs/dbraw/zinc/76/41/76/571764176.db2.gz MIAGCSLAZLDFRZ-GUBZILKMSA-N 0 0 188.267 1.056 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CCC[C@@H]1C 70831546 571764203 /nfs/dbraw/zinc/76/42/03/571764203.db2.gz JBIBCPSJORLUFH-XHNCKOQMSA-N 0 0 185.267 1.628 10 0 ADAERN CC(=O)CCc1nc(C2CC2)no1 70996887 571764206 /nfs/dbraw/zinc/76/42/06/571764206.db2.gz ZMBAGKBNXXDQHX-UHFFFAOYSA-N 0 0 180.207 1.469 10 0 ADAERN CC[C@@H](O)Cc1nc(C2CC2)no1 70998343 571764212 /nfs/dbraw/zinc/76/42/12/571764212.db2.gz GTCDWXHGSQPOHF-SSDOTTSWSA-N 0 0 182.223 1.260 10 0 ADAERN CCO[C@H](C)[C@@H](O)c1cncc(F)c1 70830332 571764238 /nfs/dbraw/zinc/76/42/38/571764238.db2.gz KQRYKKSUWVBSOT-GMSGAONNSA-N 0 0 199.225 1.679 10 0 ADAERN CCC(F)(F)CNCC(F)F 17618566 571764251 /nfs/dbraw/zinc/76/42/51/571764251.db2.gz JNCUIYRUPBNTGH-UHFFFAOYSA-N 0 0 173.153 1.886 10 0 ADAERN Cc1cncc(C2CC2)n1 18899231 571764320 /nfs/dbraw/zinc/76/43/20/571764320.db2.gz KZUXNGPJHQLXNC-UHFFFAOYSA-N 0 0 134.182 1.662 10 0 ADAERN FC(F)OCCNc1ncccn1 398268498 571764370 /nfs/dbraw/zinc/76/43/70/571764370.db2.gz SFZANQAKRMAQOZ-UHFFFAOYSA-N 0 0 189.165 1.128 10 0 ADAERN CC(=O)c1cccc2c1OC(=O)NC2 214621798 571764375 /nfs/dbraw/zinc/76/43/75/571764375.db2.gz JOXQIMVNFLXNAA-UHFFFAOYSA-N 0 0 191.186 1.491 10 0 ADAERN [NH3+]Cc1cccc2c(C(=O)[O-])coc12 214623081 571764429 /nfs/dbraw/zinc/76/44/29/571764429.db2.gz IEBZWEYCEVSCSH-UHFFFAOYSA-N 0 0 191.186 1.590 10 0 ADAERN CCn1c(C)cnc1OC 17810971 571764479 /nfs/dbraw/zinc/76/44/79/571764479.db2.gz PCXZFSBIDTZRTH-UHFFFAOYSA-N 0 0 140.186 1.220 10 0 ADAERN [NH3+]Cc1cc2c(C(=O)[O-])cccc2o1 214622834 571764496 /nfs/dbraw/zinc/76/44/96/571764496.db2.gz HUOGBWHEKAXWBI-UHFFFAOYSA-N 0 0 191.186 1.590 10 0 ADAERN CCC(C)(C)C[C@H](O)COC 17647313 571764499 /nfs/dbraw/zinc/76/44/99/571764499.db2.gz IFUIKANIFHASPX-QMMMGPOBSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)C[C@@H](C)[N@H+](C)C/C=C\C(=O)[O-] 220593533 571764502 /nfs/dbraw/zinc/76/45/02/571764502.db2.gz QUERRKHYMSAXIY-WWQCOOJYSA-N 0 0 199.294 1.994 10 0 ADAERN CC(=O)c1cccc2c1CNC(=O)O2 214621954 571764512 /nfs/dbraw/zinc/76/45/12/571764512.db2.gz PPNFQOWXVNWGTC-UHFFFAOYSA-N 0 0 191.186 1.491 10 0 ADAERN C/C=C\[C@H](O)CC(C)(C)CO 17676445 571764513 /nfs/dbraw/zinc/76/45/13/571764513.db2.gz AVTRPVKFUWGSSO-LGYSABEFSA-N 0 0 158.241 1.332 10 0 ADAERN C/C=C\C(=O)NC(C)(C)CF 17681539 571764528 /nfs/dbraw/zinc/76/45/28/571764528.db2.gz DSBNTXKUIQDPOR-PLNGDYQASA-N 0 0 159.204 1.427 10 0 ADAERN CCCn1c(C)nnc1C(=O)OCC 71009376 571764590 /nfs/dbraw/zinc/76/45/90/571764590.db2.gz LSLWUFADDFYQNP-UHFFFAOYSA-N 0 0 197.238 1.173 10 0 ADAERN O[C@H](CC[C@@H]1CCCO1)C1CC1 71007890 571764601 /nfs/dbraw/zinc/76/46/01/571764601.db2.gz YFNYRFIWXGCVJX-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN O=C(CC[C@@H]1CCCO1)C1CC1 71002864 571764639 /nfs/dbraw/zinc/76/46/39/571764639.db2.gz GIOFQHMAUUOCJK-VIFPVBQESA-N 0 0 168.236 1.925 10 0 ADAERN Cn1cc(CC[C@H](O)C2CC2)cn1 71007826 571764695 /nfs/dbraw/zinc/76/46/95/571764695.db2.gz AXKABYXFDHLNRP-JTQLQIEISA-N 0 0 180.251 1.124 10 0 ADAERN CC(C)N[C@@](C)(CO)C(F)F 17825300 571764725 /nfs/dbraw/zinc/76/47/25/571764725.db2.gz ZDUCOBXVCWTYIK-ZETCQYMHSA-N 0 0 167.199 1.001 10 0 ADAERN CCC/C=C\OCCO 113242905 571764730 /nfs/dbraw/zinc/76/47/30/571764730.db2.gz ZCOOWKHNQWSTCE-XQRVVYSFSA-N 0 0 130.187 1.309 10 0 ADAERN COCc1ncc(C)o1 142075424 571764742 /nfs/dbraw/zinc/76/47/42/571764742.db2.gz PCXSBTPNJYSHNV-UHFFFAOYSA-N 0 0 127.143 1.129 10 0 ADAERN COCCCC[C@H](O)C1CC1 71007956 571764760 /nfs/dbraw/zinc/76/47/60/571764760.db2.gz FPSNTAMXFMBSLR-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN O[C@@H](Cc1nc(C2CC2)no1)C1CC1 70998402 571765189 /nfs/dbraw/zinc/76/51/89/571765189.db2.gz GLUAABDVKBWLHB-QMMMGPOBSA-N 0 0 194.234 1.260 10 0 ADAERN CCn1cc(CC[C@H](O)C2CC2)cn1 71007832 571764899 /nfs/dbraw/zinc/76/48/99/571764899.db2.gz NXZDRLBRCSFNSS-NSHDSACASA-N 0 0 194.278 1.607 10 0 ADAERN CCN[C@@H](C)c1nc(CC)no1 71001290 571764924 /nfs/dbraw/zinc/76/49/24/571764924.db2.gz YNGXXKXTQPQGRP-LURJTMIESA-N 0 0 169.228 1.303 10 0 ADAERN COC(C)(C)OCCC(C)=O 17623215 571764948 /nfs/dbraw/zinc/76/49/48/571764948.db2.gz VKDVDRDNRJDRPP-UHFFFAOYSA-N 0 0 160.213 1.365 10 0 ADAERN CC(C)(O)[C@@H](F)C(F)(F)F 142028581 571765004 /nfs/dbraw/zinc/76/50/04/571765004.db2.gz RXDNZTDIMIMTAU-GSVOUGTGSA-N 0 0 160.110 1.658 10 0 ADAERN CCc1noc(C[C@@H](O)C(C)(C)C)n1 70998466 571765009 /nfs/dbraw/zinc/76/50/09/571765009.db2.gz SFRSAHUVGGYJFR-SSDOTTSWSA-N 0 0 198.266 1.582 10 0 ADAERN CCC(F)(F)CCNC(N)=O 17622273 571765019 /nfs/dbraw/zinc/76/50/19/571765019.db2.gz OPZYAQYOZBULGN-UHFFFAOYSA-N 0 0 166.171 1.090 10 0 ADAERN C1CN(NC[C@@H]2CCC3(CCC3)O2)C1 712450350 571765024 /nfs/dbraw/zinc/76/50/24/571765024.db2.gz GFDTZCLZEIORGD-JTQLQIEISA-N 0 0 196.294 1.298 10 0 ADAERN O[C@@H](CC[C@@H]1CCCO1)C1CC1 71007881 571765032 /nfs/dbraw/zinc/76/50/32/571765032.db2.gz YFNYRFIWXGCVJX-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CCCc1noc(C[C@H](O)C2CC2)n1 70998774 571765035 /nfs/dbraw/zinc/76/50/35/571765035.db2.gz DOQARQYAPTWUNL-QMMMGPOBSA-N 0 0 196.250 1.336 10 0 ADAERN CC(C)N[C@](C)(CO)C(F)F 17825302 571765071 /nfs/dbraw/zinc/76/50/71/571765071.db2.gz ZDUCOBXVCWTYIK-SSDOTTSWSA-N 0 0 167.199 1.001 10 0 ADAERN CN(CC1CC(O)C1)C(=O)C1(C)CC1 335540823 571765082 /nfs/dbraw/zinc/76/50/82/571765082.db2.gz ZOJBBYVUTOSKQQ-UHFFFAOYSA-N 0 0 197.278 1.016 10 0 ADAERN C/C=C/[C@@H](O)CC(C)(C)OC 17677466 571765117 /nfs/dbraw/zinc/76/51/17/571765117.db2.gz BMTONHYAPKLJFJ-HQZHTGGTSA-N 0 0 158.241 1.739 10 0 ADAERN C/C=C\[C@@H](O)CC(C)(C)OC 17677465 571765127 /nfs/dbraw/zinc/76/51/27/571765127.db2.gz BMTONHYAPKLJFJ-RPSMYOMKSA-N 0 0 158.241 1.739 10 0 ADAERN CCCc1noc(CC[C@@H](C)O)n1 70998739 571765128 /nfs/dbraw/zinc/76/51/28/571765128.db2.gz POAULFCHBZDICR-SSDOTTSWSA-N 0 0 184.239 1.336 10 0 ADAERN CCn1ccnc1CC(=O)C1CC1 71003016 571765167 /nfs/dbraw/zinc/76/51/67/571765167.db2.gz CWEQIOAKXFXWPS-UHFFFAOYSA-N 0 0 178.235 1.425 10 0 ADAERN CC(C)C(C)(C)/C=C\C(N)=O 17552825 571765199 /nfs/dbraw/zinc/76/51/99/571765199.db2.gz BMBCHAULUASKPX-WAYWQWQTSA-N 0 0 155.241 1.710 10 0 ADAERN CC(C)CC[C@H](C[NH3+])CC(=O)[O-] 26389509 571765205 /nfs/dbraw/zinc/76/52/05/571765205.db2.gz UBWCKSWVPHYUPA-QMMMGPOBSA-N 0 0 173.256 1.472 10 0 ADAERN CCc1noc(C[C@H](O)C(C)C)n1 70998473 571765224 /nfs/dbraw/zinc/76/52/24/571765224.db2.gz MAYDILAGHFPWQX-ZETCQYMHSA-N 0 0 184.239 1.191 10 0 ADAERN [NH3+]Cc1ccc2occ(C(=O)[O-])c2c1 214623230 571765230 /nfs/dbraw/zinc/76/52/30/571765230.db2.gz HVIKTLNLNBAZGI-UHFFFAOYSA-N 0 0 191.186 1.590 10 0 ADAERN CCc1noc([C@H](CC)[C@@H](C)O)n1 70998447 571765273 /nfs/dbraw/zinc/76/52/73/571765273.db2.gz GYBRCLREMDVWHT-RNFRBKRXSA-N 0 0 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165.183 1.558 10 0 ADAERN C1CN(NC[C@H]2CCC3(CCC3)O2)C1 712450353 571765424 /nfs/dbraw/zinc/76/54/24/571765424.db2.gz GFDTZCLZEIORGD-SNVBAGLBSA-N 0 0 196.294 1.298 10 0 ADAERN COc1coc(C)c1C=O 17797004 571765442 /nfs/dbraw/zinc/76/54/42/571765442.db2.gz IWIHHURIOKZKKI-UHFFFAOYSA-N 0 0 140.138 1.409 10 0 ADAERN CCc1noc(C[C@@H](O)C(C)C)n1 70998476 571765503 /nfs/dbraw/zinc/76/55/03/571765503.db2.gz MAYDILAGHFPWQX-SSDOTTSWSA-N 0 0 184.239 1.191 10 0 ADAERN O[C@@H]1C[C@@H]2CCCCC[C@H]21 26254720 571765512 /nfs/dbraw/zinc/76/55/12/571765512.db2.gz GNJQANDCKMOKTQ-DJLDLDEBSA-N 0 0 140.226 1.948 10 0 ADAERN CCc1noc(C[C@H](O)C(C)(C)C)n1 70998464 571765513 /nfs/dbraw/zinc/76/55/13/571765513.db2.gz SFRSAHUVGGYJFR-ZETCQYMHSA-N 0 0 198.266 1.582 10 0 ADAERN Cn1cc(CC[C@@H](O)C2CC2)cn1 71007828 571765550 /nfs/dbraw/zinc/76/55/50/571765550.db2.gz AXKABYXFDHLNRP-SNVBAGLBSA-N 0 0 180.251 1.124 10 0 ADAERN CC(=O)c1ccc2c(c1)OC(=O)NC2 214621643 571765556 /nfs/dbraw/zinc/76/55/56/571765556.db2.gz 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571771781 /nfs/dbraw/zinc/77/17/81/571771781.db2.gz ITZKNRRNFMLRIA-SSDOTTSWSA-N 0 0 165.192 1.237 10 0 ADAERN CN[C@@H](CCOC)C(F)(F)F 18681190 571771800 /nfs/dbraw/zinc/77/18/00/571771800.db2.gz BXIZCHYOYSYBDV-YFKPBYRVSA-N 0 0 171.162 1.173 10 0 ADAERN O=C1COC[C@@H]1CC1CC1 19128394 571771830 /nfs/dbraw/zinc/77/18/30/571771830.db2.gz NPHPAYHSDQEJIQ-ZETCQYMHSA-N 0 0 140.182 1.002 10 0 ADAERN CCCCC[C@@H](O)CCC(=O)OC 38811871 571771892 /nfs/dbraw/zinc/77/18/92/571771892.db2.gz SXNPPQYOBNJLAH-SECBINFHSA-N 0 0 188.267 1.881 10 0 ADAERN CCc1c(C=O)ssc1=O 196096335 571771943 /nfs/dbraw/zinc/77/19/43/571771943.db2.gz NBOOWOYYOXQFEH-UHFFFAOYSA-N 0 0 174.246 1.545 10 0 ADAERN CCC(C)(C)OCC(C)=O 37349607 571771958 /nfs/dbraw/zinc/77/19/58/571771958.db2.gz QTBCJQOASGHXML-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN CN[C@](C)(C(=O)OC)C1CCCCC1 70953505 571771989 /nfs/dbraw/zinc/77/19/89/571771989.db2.gz BTBJDAYTGOIIIH-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN CNC(=O)[C@@H]1Cc2ccccc2[C@H]1C 196087925 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571773018 /nfs/dbraw/zinc/77/30/18/571773018.db2.gz DWRMGJYYRDCTQE-UHFFFAOYSA-N 0 0 180.207 1.004 10 0 ADAERN CNC(=O)[C@@H]1Cc2ccccc2[C@@H]1C 196087934 571773044 /nfs/dbraw/zinc/77/30/44/571773044.db2.gz LABUSKBPMUXPKT-GZMMTYOYSA-N 0 0 189.258 1.708 10 0 ADAERN OCCNSc1ccccc1 196088011 571773053 /nfs/dbraw/zinc/77/30/53/571773053.db2.gz WBIAHLOZLFMBDL-UHFFFAOYSA-N 0 0 169.249 1.276 10 0 ADAERN O=C1CCCC[C@@H]1n1ccnc1 196087555 571773056 /nfs/dbraw/zinc/77/30/56/571773056.db2.gz JTLJLLSRDWMDCK-QMMMGPOBSA-N 0 0 164.208 1.567 10 0 ADAERN Cc1ccc(OC[C@H](C)O)c(C=O)c1 70955505 571773174 /nfs/dbraw/zinc/77/31/74/571773174.db2.gz DAHUOKNSGKFHLH-VIFPVBQESA-N 0 0 194.230 1.567 10 0 ADAERN O=Cc1ssc(=O)c1Cl 196096367 571773201 /nfs/dbraw/zinc/77/32/01/571773201.db2.gz KVBJQQNHHFCNGH-UHFFFAOYSA-N 0 0 180.637 1.636 10 0 ADAERN [NH3+]CCCCCC/C=C(\F)C(=O)[O-] 142439338 571773213 /nfs/dbraw/zinc/77/32/13/571773213.db2.gz FIXKECRBUWSWGO-VURMDHGXSA-N 0 0 189.230 1.834 10 0 ADAERN O=C1CCCCC[C@@H]1n1ccnc1 196087576 571773224 /nfs/dbraw/zinc/77/32/24/571773224.db2.gz IXZGJTJYGAIPGR-VIFPVBQESA-N 0 0 178.235 1.957 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@H]1CCC[C@H](C)C1 71152904 571773252 /nfs/dbraw/zinc/77/32/52/571773252.db2.gz BLTXQMGPPGOMSQ-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN COC[C@@H](C)[C@H](O)c1nccs1 687799472 571773255 /nfs/dbraw/zinc/77/32/55/571773255.db2.gz UDWFPOLWNIRCQP-RQJHMYQMSA-N 0 0 187.264 1.459 10 0 ADAERN CCCCOCC(C)=O 37351339 571773264 /nfs/dbraw/zinc/77/32/64/571773264.db2.gz UYNCDYOFUJEUQN-UHFFFAOYSA-N 0 0 130.187 1.392 10 0 ADAERN CCCCCOCC(C)=O 37351515 571773284 /nfs/dbraw/zinc/77/32/84/571773284.db2.gz YKHUVBGFDWEPTK-UHFFFAOYSA-N 0 0 144.214 1.782 10 0 ADAERN C[C@H](C(=O)c1ccc(F)cc1)N(C)C 37333547 571773365 /nfs/dbraw/zinc/77/33/65/571773365.db2.gz LKZITASMICNSHS-MRVPVSSYSA-N 0 0 195.237 1.959 10 0 ADAERN Cc1ccc(OC[C@H](C)O)c(CO)c1 70956045 571773395 /nfs/dbraw/zinc/77/33/95/571773395.db2.gz DDHNBPJWCPGOQD-VIFPVBQESA-N 0 0 196.246 1.247 10 0 ADAERN 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/nfs/dbraw/zinc/77/91/57/571779157.db2.gz YWAQABOXWRBDKC-CBAPKCEASA-N 0 0 170.208 1.165 10 0 ADAERN CCCCC[C@H](C)NC(N)=O 1641395 571779164 /nfs/dbraw/zinc/77/91/64/571779164.db2.gz BPPXJHBRJMHVSX-ZETCQYMHSA-N 0 0 158.245 1.624 10 0 ADAERN C[C@H]1CC(=O)C2=C(O)[C@@H]1CCC2 1620208 571779187 /nfs/dbraw/zinc/77/91/87/571779187.db2.gz HQDGBVACMJUNOJ-XLPZGREQSA-N 0 0 166.220 1.581 10 0 ADAERN O[C@H]1C[C@H]1Sc1ccccc1 1618041 571779199 /nfs/dbraw/zinc/77/91/99/571779199.db2.gz JTUPWHGXVRCHAG-DTWKUNHWSA-N 0 0 166.245 1.912 10 0 ADAERN C[C@H]1CSC(Nc2ccn(C)n2)=N1 37471991 571781494 /nfs/dbraw/zinc/78/14/94/571781494.db2.gz YEQAEINOXDTJPP-LURJTMIESA-N 0 0 196.279 1.323 10 0 ADAERN CC(C)(C)[C@@]1(O)CCCC[C@H]1O 1613150 571779287 /nfs/dbraw/zinc/77/92/87/571779287.db2.gz XEDWZVNPHNRMQZ-PSASIEDQSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)(C)[C@]1(O)CCCC[C@H]1O 1613151 571779309 /nfs/dbraw/zinc/77/93/09/571779309.db2.gz XEDWZVNPHNRMQZ-SCZZXKLOSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)[C@H](O)C1CC1 37465550 571779347 /nfs/dbraw/zinc/77/93/47/571779347.db2.gz NQCOXKGQNOHIPQ-ZETCQYMHSA-N 0 0 114.188 1.413 10 0 ADAERN CC[C@@H](NC1(C)CCCC1)C(=O)OC 687721667 571779376 /nfs/dbraw/zinc/77/93/76/571779376.db2.gz LCJNPALPPATQKM-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN O[C@@H]1C[C@@H]2C[C@H]1[C@H]1C=CC[C@@H]21 1590029 571779508 /nfs/dbraw/zinc/77/95/08/571779508.db2.gz LDUKQFUHJZHLRC-BQHMLIOBSA-N 0 0 150.221 1.579 10 0 ADAERN Cn1ccc(-n2cccc2)n1 37471996 571779514 /nfs/dbraw/zinc/77/95/14/571779514.db2.gz OEWWNHLCARLPOH-UHFFFAOYSA-N 0 0 147.181 1.211 10 0 ADAERN COC(=O)Nc1cn2ccsc2n1 1610328 571779520 /nfs/dbraw/zinc/77/95/20/571779520.db2.gz WRYJOYCTSAZALC-UHFFFAOYSA-N 0 0 197.219 1.574 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC(C)C 301009570 571779525 /nfs/dbraw/zinc/77/95/25/571779525.db2.gz YNGPLQVPMGWQKH-YUMQZZPRSA-N 0 0 173.256 1.341 10 0 ADAERN CC[C@@](C)(OC)C(=O)[C@@H](C)COC 687800519 571779555 /nfs/dbraw/zinc/77/95/55/571779555.db2.gz BIUNUMWAZCNNHW-WCBMZHEXSA-N 0 0 188.267 1.653 10 0 ADAERN CCc1ccc(CNC#N)cc1 234146433 571779574 /nfs/dbraw/zinc/77/95/74/571779574.db2.gz KIYNFWOXLOXSIF-UHFFFAOYSA-N 0 0 160.220 1.820 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1ccncc1C 687800639 571779580 /nfs/dbraw/zinc/77/95/80/571779580.db2.gz ZJQTUCVMZCFLQD-MWLCHTKSSA-N 0 0 195.262 1.706 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1ccnc(NC)n1 234142833 571779590 /nfs/dbraw/zinc/77/95/90/571779590.db2.gz UNWHRTQWEVXAQN-YUMQZZPRSA-N 0 0 192.266 1.729 10 0 ADAERN Cn1cncc1CN1CCCSC1 687721957 571779610 /nfs/dbraw/zinc/77/96/10/571779610.db2.gz GJFYGNBNVVXLMI-UHFFFAOYSA-N 0 0 197.307 1.317 10 0 ADAERN COC[C@H](C)[C@H](O)c1ccncc1C 687800640 571779611 /nfs/dbraw/zinc/77/96/11/571779611.db2.gz ZJQTUCVMZCFLQD-ONGXEEELSA-N 0 0 195.262 1.706 10 0 ADAERN CC(C)OCCN1C(=O)[C@@H]2CCC[C@@H]21 687721664 571779613 /nfs/dbraw/zinc/77/96/13/571779613.db2.gz GNLHRNSJKZGJDG-ZJUUUORDSA-N 0 0 197.278 1.422 10 0 ADAERN CN(c1ccnn1C)[C@H]1CCCOC1 687721706 571779618 /nfs/dbraw/zinc/77/96/18/571779618.db2.gz HMHGFBLLLNKNMW-VIFPVBQESA-N 0 0 195.266 1.035 10 0 ADAERN CCOC(C)(C)[C@H](N)C(F)(F)F 687800530 571779658 /nfs/dbraw/zinc/77/96/58/571779658.db2.gz GPJMEHBXNSCLAO-YFKPBYRVSA-N 0 0 185.189 1.691 10 0 ADAERN CC[C@@H](O)C[C@H]1CCCO1 37465062 571779695 /nfs/dbraw/zinc/77/96/95/571779695.db2.gz RXKYGHVJRBTGFC-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1noc(-c2ccc(F)c(N)c2)n1 37475114 571781518 /nfs/dbraw/zinc/78/15/18/571781518.db2.gz YFAOGHUYHBEYKT-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN O[C@H](C1CCCC1)C1CC1 37465560 571781520 /nfs/dbraw/zinc/78/15/20/571781520.db2.gz JUWVNVDAEQLWJU-SECBINFHSA-N 0 0 140.226 1.948 10 0 ADAERN CCC[C@@H](O)c1cc(OC)n(C)n1 301008764 571779732 /nfs/dbraw/zinc/77/97/32/571779732.db2.gz ZQVZIDORFPPLOQ-MRVPVSSYSA-N 0 0 184.239 1.262 10 0 ADAERN C[C@@](O)(CCCO)c1ccccc1 39074674 571779742 /nfs/dbraw/zinc/77/97/42/571779742.db2.gz OAOVWLRDALNPPH-LLVKDONJSA-N 0 0 180.247 1.667 10 0 ADAERN CCc1c(-c2ccco2)nc[nH]c1=O 234147873 571779849 /nfs/dbraw/zinc/77/98/49/571779849.db2.gz XAXYYQJRQQNPCG-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN CC(=O)c1ccc(C(C)=O)c(N)c1 1677593 571779919 /nfs/dbraw/zinc/77/99/19/571779919.db2.gz VNUYAHIHXZQWGJ-UHFFFAOYSA-N 0 0 177.203 1.674 10 0 ADAERN Cn1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)n1 37471831 571779930 /nfs/dbraw/zinc/77/99/30/571779930.db2.gz RDHUBKYHVSQUGR-KXUCPTDWSA-N 0 0 189.262 1.797 10 0 ADAERN C[C@H]1CC[C@@H](CN2CCSC2)O1 687721889 571779941 /nfs/dbraw/zinc/77/99/41/571779941.db2.gz BNYDGIKZHDDKLG-IUCAKERBSA-N 0 0 187.308 1.560 10 0 ADAERN Cc1ccoc1[C@H](CC(=O)[O-])[C@H](C)[NH3+] 229554897 571779979 /nfs/dbraw/zinc/77/99/79/571779979.db2.gz WNIOZPHVHSGSBK-JGVFFNPUSA-N 0 0 197.234 1.494 10 0 ADAERN CCCC[C@@H](C)[C@@H](COCC)NN 301010183 571779983 /nfs/dbraw/zinc/77/99/83/571779983.db2.gz ZTMKOAHGHHWUAV-NXEZZACHSA-N 0 0 188.315 1.681 10 0 ADAERN CC(=O)O[C@H]1CC(C)(C)OC1(C)C 1665910 571780027 /nfs/dbraw/zinc/78/00/27/571780027.db2.gz CKKMFIKHBWKAMD-QMMMGPOBSA-N 0 0 186.251 1.896 10 0 ADAERN CC[C@H](O)C[C@H]1CCCO1 37465060 571780032 /nfs/dbraw/zinc/78/00/32/571780032.db2.gz RXKYGHVJRBTGFC-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1CO)C2 1669086 571780101 /nfs/dbraw/zinc/78/01/01/571780101.db2.gz OYSSYNJKOVEPDS-YIZRAAEISA-N 0 0 140.226 1.805 10 0 ADAERN CNc1cnnn1-c1ccccc1 67822997 571780110 /nfs/dbraw/zinc/78/01/10/571780110.db2.gz KLELCYGASVJSGB-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN CC[C@@H](C)[C@@H](OC)C(C)=O 39069376 571780114 /nfs/dbraw/zinc/78/01/14/571780114.db2.gz WWZBQMPZQSLSFR-HTRCEHHLSA-N 0 0 144.214 1.637 10 0 ADAERN CC[C@@](C)(OC)C(=O)[C@H](C)COC 687800517 571780129 /nfs/dbraw/zinc/78/01/29/571780129.db2.gz BIUNUMWAZCNNHW-PSASIEDQSA-N 0 0 188.267 1.653 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@H](C)CC(C)C 301009569 571780149 /nfs/dbraw/zinc/78/01/49/571780149.db2.gz YNGPLQVPMGWQKH-SFYZADRCSA-N 0 0 173.256 1.341 10 0 ADAERN CCOC(C)(C)[C@@H](N)C(F)(F)F 687800529 571780154 /nfs/dbraw/zinc/78/01/54/571780154.db2.gz 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571780282 /nfs/dbraw/zinc/78/02/82/571780282.db2.gz BNYDGIKZHDDKLG-BDAKNGLRSA-N 0 0 187.308 1.560 10 0 ADAERN C[NH2+]C1(CC(=O)[O-])CC(C(C)C)C1 234353577 571781539 /nfs/dbraw/zinc/78/15/39/571781539.db2.gz IRJONNYGIYQEKF-UHFFFAOYSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@@H](C)Cn1cc(C=O)nn1 301006966 571780292 /nfs/dbraw/zinc/78/02/92/571780292.db2.gz YBGGKOPLCLPIAU-SECBINFHSA-N 0 0 195.266 1.773 10 0 ADAERN COC[C@H](C)C(=O)C1(O)CCCC1 687800566 571780311 /nfs/dbraw/zinc/78/03/11/571780311.db2.gz SQPZTJPNSFNSHH-QMMMGPOBSA-N 0 0 186.251 1.143 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1nc(N)ncc1C 234146923 571780333 /nfs/dbraw/zinc/78/03/33/571780333.db2.gz BWXMZHVFONZSJZ-YUMQZZPRSA-N 0 0 192.266 1.578 10 0 ADAERN CC(C)OCCN1C(=O)[C@H]2CCC[C@H]21 687721663 571780334 /nfs/dbraw/zinc/78/03/34/571780334.db2.gz GNLHRNSJKZGJDG-VHSXEESVSA-N 0 0 197.278 1.422 10 0 ADAERN CC1CCC(O)([C@@H](C)CO)CC1 1685178 571780331 /nfs/dbraw/zinc/78/03/31/571780331.db2.gz QVALTGJTOSETKY-KYHHOPLUSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@H]1CC(=O)N(CC(C)(C)O)[C@H]1C 687721945 571781547 /nfs/dbraw/zinc/78/15/47/571781547.db2.gz CGFKDCSWGANRLP-YUMQZZPRSA-N 0 0 185.267 1.014 10 0 ADAERN CCCO[C@](C)(C(C)=O)[C@@H](C)OC 687721820 571780378 /nfs/dbraw/zinc/78/03/78/571780378.db2.gz OFMBOEQUYXQFQA-NXEZZACHSA-N 0 0 188.267 1.796 10 0 ADAERN CC(=O)c1ccoc1C(C)=O 116811020 571780444 /nfs/dbraw/zinc/78/04/44/571780444.db2.gz FTJSRROWGKHWIU-UHFFFAOYSA-N 0 0 152.149 1.685 10 0 ADAERN Cn1ccc(N[C@@H]2C[C@@H]3CC=C[C@@H]32)n1 37471833 571780452 /nfs/dbraw/zinc/78/04/52/571780452.db2.gz RDHUBKYHVSQUGR-LPEHRKFASA-N 0 0 189.262 1.797 10 0 ADAERN CSC[C@@H](C)C(=O)c1ccn(C)n1 301008626 571780457 /nfs/dbraw/zinc/78/04/57/571780457.db2.gz XFDBOYHHIHNEAY-SSDOTTSWSA-N 0 0 198.291 1.602 10 0 ADAERN CNC(=O)Oc1cccc(C=O)c1 1669432 571780464 /nfs/dbraw/zinc/78/04/64/571780464.db2.gz OAJCIVFVLYNXOT-UHFFFAOYSA-N 0 0 179.175 1.217 10 0 ADAERN C[C@@H]1CSC(Nc2ccn(C)n2)=N1 37471990 571780527 /nfs/dbraw/zinc/78/05/27/571780527.db2.gz 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/nfs/dbraw/zinc/78/06/84/571780684.db2.gz CGDOGUUOMDFHLT-UHFFFAOYSA-N 0 0 177.203 1.952 10 0 ADAERN CCOC(C)(C)CNc1cnnn1C 301009133 571780693 /nfs/dbraw/zinc/78/06/93/571780693.db2.gz XGNNEFRVKRZVOA-UHFFFAOYSA-N 0 0 198.270 1.042 10 0 ADAERN C[C@H]1C[C@@H](C)CC2(CNC(=O)O2)C1 39094481 571780698 /nfs/dbraw/zinc/78/06/98/571780698.db2.gz QIFKTBCHACJLLW-JWHQNHQBSA-N 0 0 183.251 1.921 10 0 ADAERN CC(C)[C@@H](O)C1CC1 37465552 571780707 /nfs/dbraw/zinc/78/07/07/571780707.db2.gz NQCOXKGQNOHIPQ-SSDOTTSWSA-N 0 0 114.188 1.413 10 0 ADAERN CCC[C@H](O)c1cc(OC)n(C)n1 301008766 571780720 /nfs/dbraw/zinc/78/07/20/571780720.db2.gz ZQVZIDORFPPLOQ-QMMMGPOBSA-N 0 0 184.239 1.262 10 0 ADAERN CCc1ccnc(N(C)C)n1 27192744 571780740 /nfs/dbraw/zinc/78/07/40/571780740.db2.gz FBMAHYRRVBGBQJ-UHFFFAOYSA-N 0 0 151.213 1.105 10 0 ADAERN CC[C@](C)(OC)C(=O)[C@H](C)COC 687800518 571780787 /nfs/dbraw/zinc/78/07/87/571780787.db2.gz BIUNUMWAZCNNHW-SCZZXKLOSA-N 0 0 188.267 1.653 10 0 ADAERN S=CCCl 116840775 571780831 /nfs/dbraw/zinc/78/08/31/571780831.db2.gz WNADYADUIXAVNC-OWOJBTEDSA-N 0 0 94.566 1.626 10 0 ADAERN CC12CCC(CC1)[C@H](O)C2 1664469 571780854 /nfs/dbraw/zinc/78/08/54/571780854.db2.gz GYQGRWBWGMJRJY-QJAFJHJLSA-N 0 0 140.226 1.948 10 0 ADAERN CC(=O)OC/C=C/Cl 1681467 571780878 /nfs/dbraw/zinc/78/08/78/571780878.db2.gz MRDPKFXEUMUFQJ-NSCUHMNNSA-N 0 0 134.562 1.302 10 0 ADAERN CC[C@@H](O)C(=O)CC1CC1 233892990 571780882 /nfs/dbraw/zinc/78/08/82/571780882.db2.gz VQXIWLOQTAJEGE-SSDOTTSWSA-N 0 0 142.198 1.127 10 0 ADAERN COC(=O)Cc1cccc2c1CCC2 142885802 571781563 /nfs/dbraw/zinc/78/15/63/571781563.db2.gz BNYNYDWCTBOCJY-UHFFFAOYSA-N 0 0 190.242 1.891 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1nc(N)ncc1F 234146996 571780815 /nfs/dbraw/zinc/78/08/15/571780815.db2.gz XSSFGYBRNRTODK-FSPLSTOPSA-N 0 0 196.229 1.408 10 0 ADAERN CSC[C@H](C)C(=O)c1ccn(C)n1 301008628 571780946 /nfs/dbraw/zinc/78/09/46/571780946.db2.gz XFDBOYHHIHNEAY-ZETCQYMHSA-N 0 0 198.291 1.602 10 0 ADAERN CCc1cc(=S)[nH]c(C(=O)OC)n1 234144680 571781001 /nfs/dbraw/zinc/78/10/01/571781001.db2.gz CHTIINYYCFFFAO-UHFFFAOYSA-N 0 0 198.247 1.114 10 0 ADAERN CCc1ncccc1OC(C)=O 116855193 571781009 /nfs/dbraw/zinc/78/10/09/571781009.db2.gz CCLJSAOGKVPOFC-UHFFFAOYSA-N 0 0 165.192 1.569 10 0 ADAERN CC[C@H](O)C(F)(F)Cl 1675523 571781038 /nfs/dbraw/zinc/78/10/38/571781038.db2.gz BWINHBCYBHXWQT-VKHMYHEASA-N 0 0 144.548 1.589 10 0 ADAERN CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1CC(N)=O 1688923 571781060 /nfs/dbraw/zinc/78/10/60/571781060.db2.gz QKTIYRWRJZHQNW-DJLDLDEBSA-N 0 0 181.279 1.934 10 0 ADAERN CC[C@@](C)(O)Cc1cccnc1 1675434 571781076 /nfs/dbraw/zinc/78/10/76/571781076.db2.gz XXGMUXMTGVQHBG-SNVBAGLBSA-N 0 0 165.236 1.785 10 0 ADAERN Nc1cnc(OC2CC2)s1 142945576 571781080 /nfs/dbraw/zinc/78/10/80/571781080.db2.gz BSAJXOOYBUQFSO-UHFFFAOYSA-N 0 0 156.210 1.267 10 0 ADAERN Cc1cc(Cc2cccnc2)ncc1N 301008939 571781083 /nfs/dbraw/zinc/78/10/83/571781083.db2.gz ZTXXVHQITOLYPV-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN CCSCc1ncc(C)c(CO)n1 301010275 571781108 /nfs/dbraw/zinc/78/11/08/571781108.db2.gz ZUQJCCPQSVUCQE-UHFFFAOYSA-N 0 0 198.291 1.530 10 0 ADAERN Cc1ncc(CNC(=O)OC(C)C)o1 398294946 571781116 /nfs/dbraw/zinc/78/11/16/571781116.db2.gz CXJYJLIZQMPPFU-UHFFFAOYSA-N 0 0 198.222 1.618 10 0 ADAERN CCOC(=O)[C@@H](C)CC(OC)OC 116845557 571781132 /nfs/dbraw/zinc/78/11/32/571781132.db2.gz VWGYXQOIYRKIJV-ZETCQYMHSA-N 0 0 190.239 1.195 10 0 ADAERN O=[S@]1CC[C@@H](c2ccccc2)C1 27324222 571781135 /nfs/dbraw/zinc/78/11/35/571781135.db2.gz BJEDAGITLDRWJW-ZYHUDNBSSA-N 0 0 180.272 1.923 10 0 ADAERN CC(C)[C@H](O)Cc1ccccn1 37465371 571781141 /nfs/dbraw/zinc/78/11/41/571781141.db2.gz MUODKQJRFQSITJ-SNVBAGLBSA-N 0 0 165.236 1.641 10 0 ADAERN CCc1cc(=S)[nH]c(CN(C)C)n1 234145334 571781179 /nfs/dbraw/zinc/78/11/79/571781179.db2.gz KWAGCJFDMUGIJA-UHFFFAOYSA-N 0 0 197.307 1.389 10 0 ADAERN c1cncc(-c2nncs2)c1 116841352 571781192 /nfs/dbraw/zinc/78/11/92/571781192.db2.gz LHKPFRPLLLCANE-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN OCc1cc2ccc(O)cc2o1 143038649 571783327 /nfs/dbraw/zinc/78/33/27/571783327.db2.gz JIBINGUOPHJKNC-UHFFFAOYSA-N 0 0 164.160 1.631 10 0 ADAERN C[C@H](CC(=O)[O-])Nc1cc[nH+]cc1 37453183 571781271 /nfs/dbraw/zinc/78/12/71/571781271.db2.gz RYCBJRDRUDYUGH-SSDOTTSWSA-N 0 0 180.207 1.357 10 0 ADAERN CC(C)OCCN1C(=O)[C@@H]2CCC[C@H]21 687721661 571781325 /nfs/dbraw/zinc/78/13/25/571781325.db2.gz GNLHRNSJKZGJDG-NXEZZACHSA-N 0 0 197.278 1.422 10 0 ADAERN CCn1ccc(=O)c2ncccc21 116809526 571781339 /nfs/dbraw/zinc/78/13/39/571781339.db2.gz HZRQCNNEQSIFOR-UHFFFAOYSA-N 0 0 174.203 1.416 10 0 ADAERN CCc1oc(C)cc(=O)c1O 27187464 571781349 /nfs/dbraw/zinc/78/13/49/571781349.db2.gz MGVKFOXKPFXROH-UHFFFAOYSA-N 0 0 154.165 1.216 10 0 ADAERN C=Cc1ccc(C(=O)OC)c(N)n1 116842094 571781358 /nfs/dbraw/zinc/78/13/58/571781358.db2.gz FCWOGRJLPQHPRA-UHFFFAOYSA-N 0 0 178.191 1.093 10 0 ADAERN O=C1CC2(CCCCC2)ON1 142895878 571781373 /nfs/dbraw/zinc/78/13/73/571781373.db2.gz MKGAYPNWSNNENI-UHFFFAOYSA-N 0 0 155.197 1.141 10 0 ADAERN CC[C@H](O)[C@H](O)c1ccco1 116846155 571781383 /nfs/dbraw/zinc/78/13/83/571781383.db2.gz QQDUWRIQXNLWDY-XPUUQOCRSA-N 0 0 156.181 1.084 10 0 ADAERN CC(C)[C@@H](O)C[C@@H]1CCCO1 37465066 571781385 /nfs/dbraw/zinc/78/13/85/571781385.db2.gz HWNRJAQSMXDPCN-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN COC[C@@H](C)C(=O)C1(O)CCCC1 687800565 571781395 /nfs/dbraw/zinc/78/13/95/571781395.db2.gz SQPZTJPNSFNSHH-MRVPVSSYSA-N 0 0 186.251 1.143 10 0 ADAERN CCCO[C@](C)(C(C)=O)[C@H](C)OC 687721822 571781415 /nfs/dbraw/zinc/78/14/15/571781415.db2.gz OFMBOEQUYXQFQA-VHSXEESVSA-N 0 0 188.267 1.796 10 0 ADAERN CC(=O)N[C@@]12CC[C@@H](C1)C(C)(C)C2=O 1654594 571781418 /nfs/dbraw/zinc/78/14/18/571781418.db2.gz PZVLQNSIZXMJGA-KWQFWETISA-N 0 0 195.262 1.270 10 0 ADAERN COC[C@H](C)[C@@H](O)c1ccncc1C 687800637 571781430 /nfs/dbraw/zinc/78/14/30/571781430.db2.gz ZJQTUCVMZCFLQD-GXSJLCMTSA-N 0 0 195.262 1.706 10 0 ADAERN C[C@H]1CC(=O)N(CC(C)(C)O)[C@@H]1C 687721943 571781437 /nfs/dbraw/zinc/78/14/37/571781437.db2.gz 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/nfs/dbraw/zinc/78/52/75/571785275.db2.gz JJEGECBOROEHLV-SECBINFHSA-N 0 0 177.203 1.545 10 0 ADAERN CC[C@H]1NC(=O)c2ccccc2O1 1844906 571785867 /nfs/dbraw/zinc/78/58/67/571785867.db2.gz JJEGECBOROEHLV-VIFPVBQESA-N 0 0 177.203 1.545 10 0 ADAERN Cc1ccc(C)c(OCCNO)c1C 19727949 571785329 /nfs/dbraw/zinc/78/53/29/571785329.db2.gz ZPMPMJMFCJFZMM-UHFFFAOYSA-N 0 0 195.262 1.969 10 0 ADAERN C[C@]1(C(N)=O)CC2CCC1CC2 1843402 571785873 /nfs/dbraw/zinc/78/58/73/571785873.db2.gz RMXNMWHEZQBBGA-KTOWXAHTSA-N 0 0 167.252 1.688 10 0 ADAERN COc1cscn1 37594121 571785394 /nfs/dbraw/zinc/78/53/94/571785394.db2.gz GLCMZDPRGOZERZ-UHFFFAOYSA-N 0 0 115.157 1.152 10 0 ADAERN CN[C@@H](c1cccc(C)n1)C(F)F 687800893 571785396 /nfs/dbraw/zinc/78/53/96/571785396.db2.gz XTWBOXTUSLXFRE-QMMMGPOBSA-N 0 0 186.205 1.916 10 0 ADAERN CN[C@H](c1cccc(C)n1)C(F)F 687800892 571785398 /nfs/dbraw/zinc/78/53/98/571785398.db2.gz XTWBOXTUSLXFRE-MRVPVSSYSA-N 0 0 186.205 1.916 10 0 ADAERN Cc1ccc(OCCCNO)cc1 19727981 571785416 /nfs/dbraw/zinc/78/54/16/571785416.db2.gz RVNUJTHFUZTAEI-UHFFFAOYSA-N 0 0 181.235 1.743 10 0 ADAERN Cc1cccc(OC(N)=O)c1C 1851618 571785428 /nfs/dbraw/zinc/78/54/28/571785428.db2.gz BRCWUAZOJNULLQ-UHFFFAOYSA-N 0 0 165.192 1.761 10 0 ADAERN COC(=O)N[C@@H](OC)C(C)(C)C 39139189 571785469 /nfs/dbraw/zinc/78/54/69/571785469.db2.gz VYHUBQWELUVQLP-LURJTMIESA-N 0 0 175.228 1.361 10 0 ADAERN NOCCOc1cccc(Cl)c1 19727755 571785490 /nfs/dbraw/zinc/78/54/90/571785490.db2.gz PZAUSSKLNLUUPW-UHFFFAOYSA-N 0 0 187.626 1.609 10 0 ADAERN Cc1c(C=O)[nH]c(C=O)c1Cl 37624153 571788051 /nfs/dbraw/zinc/78/80/51/571788051.db2.gz UOOJMQODQCGVNC-UHFFFAOYSA-N 0 0 171.583 1.602 10 0 ADAERN CO/C=C\[C@@H](CO)c1ccccc1 39185044 571785501 /nfs/dbraw/zinc/78/55/01/571785501.db2.gz UCUOLVTYSGKRKM-TVRMLOFPSA-N 0 0 178.231 1.923 10 0 ADAERN Cc1ccc(OCCCON)c(C)c1 19727855 571785613 /nfs/dbraw/zinc/78/56/13/571785613.db2.gz WBCMQCDBGCVMMS-UHFFFAOYSA-N 0 0 195.262 1.963 10 0 ADAERN ONCCOc1ccccc1F 19727908 571785665 /nfs/dbraw/zinc/78/56/65/571785665.db2.gz AIDRQQZNCHLSHT-UHFFFAOYSA-N 0 0 171.171 1.183 10 0 ADAERN ONCCOc1ccc2c(c1)CCC2 19727952 571785699 /nfs/dbraw/zinc/78/56/99/571785699.db2.gz BNZLDRQGUCWBBM-UHFFFAOYSA-N 0 0 193.246 1.533 10 0 ADAERN CCc1nc(N)c2cc(O)ccc2n1 234173106 571785720 /nfs/dbraw/zinc/78/57/20/571785720.db2.gz VDPWCKVHHZRGQM-UHFFFAOYSA-N 0 0 189.218 1.480 10 0 ADAERN CCOC(=O)/C(C)=C\COC 400188900 571785772 /nfs/dbraw/zinc/78/57/72/571785772.db2.gz VNVMEPWKRURNMR-ALCCZGGFSA-N 0 0 158.197 1.142 10 0 ADAERN CC[C@](C)(OC)c1nnc(Cl)o1 234158037 571785776 /nfs/dbraw/zinc/78/57/76/571785776.db2.gz DRLVAVUOPCQHKE-ZETCQYMHSA-N 0 0 190.630 1.995 10 0 ADAERN COc1ccc(OCCNO)cc1 19727919 571785778 /nfs/dbraw/zinc/78/57/78/571785778.db2.gz DWVKHVSRCMUCMD-UHFFFAOYSA-N 0 0 183.207 1.053 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1ccncc1F 233899079 571785835 /nfs/dbraw/zinc/78/58/35/571785835.db2.gz WDIOPFCNZDKOLB-BDAKNGLRSA-N 0 0 185.198 1.025 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1ccoc1 233899097 571785837 /nfs/dbraw/zinc/78/58/37/571785837.db2.gz UGJGRSBOGSOYCA-SFYZADRCSA-N 0 0 156.181 1.084 10 0 ADAERN Cc1ccccc1OCCCNO 19727979 571785838 /nfs/dbraw/zinc/78/58/38/571785838.db2.gz IQUFNSPGXLHUAD-UHFFFAOYSA-N 0 0 181.235 1.743 10 0 ADAERN O=C1NC[C@H](CF)c2ccccc21 140193455 571785841 /nfs/dbraw/zinc/78/58/41/571785841.db2.gz XTFAKZALUUYKJS-ZETCQYMHSA-N 0 0 179.194 1.483 10 0 ADAERN Cc1ccc(OCCNO)c(C)c1 19727942 571785878 /nfs/dbraw/zinc/78/58/78/571785878.db2.gz JEZZLXYHYGUFSS-UHFFFAOYSA-N 0 0 181.235 1.661 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1cncc(F)c1 233899135 571785903 /nfs/dbraw/zinc/78/59/03/571785903.db2.gz XJHMSTCOCPLGCC-BDAKNGLRSA-N 0 0 185.198 1.025 10 0 ADAERN c1ccc2c(c1)CNO2 113275690 571785907 /nfs/dbraw/zinc/78/59/07/571785907.db2.gz GCUDWDNUXMSUIK-UHFFFAOYSA-N 0 0 121.139 1.084 10 0 ADAERN C/C=C\[C@H](C)C(C)=O 100216381 571785909 /nfs/dbraw/zinc/78/59/09/571785909.db2.gz KXOKGQNYBFVWOX-XSIKTDMUSA-N 0 0 112.172 1.788 10 0 ADAERN Cc1ccc(OCCCON)cc1 19727822 571785915 /nfs/dbraw/zinc/78/59/15/571785915.db2.gz UXTDCOOZWDYMJZ-UHFFFAOYSA-N 0 0 181.235 1.654 10 0 ADAERN O=C1NC[C@@H](CF)c2ccccc21 140193297 571785917 /nfs/dbraw/zinc/78/59/17/571785917.db2.gz XTFAKZALUUYKJS-SSDOTTSWSA-N 0 0 179.194 1.483 10 0 ADAERN OCC[C@@H]1C=CC=CCC1 140132902 571785918 /nfs/dbraw/zinc/78/59/18/571785918.db2.gz RMYJUADNNCWFLU-SECBINFHSA-N 0 0 138.210 1.891 10 0 ADAERN CC[C@]1(Cc2ccccc2)CNC1=O 1995641 571785947 /nfs/dbraw/zinc/78/59/47/571785947.db2.gz UWPKFNZGDCDBHX-LBPRGKRZSA-N 0 0 189.258 1.755 10 0 ADAERN O[C@H]1CC[C@@H]2CC=CC[C@H]12 1872939 571785952 /nfs/dbraw/zinc/78/59/52/571785952.db2.gz BJKWRGYXIAVSRP-CIUDSAMLSA-N 0 0 138.210 1.724 10 0 ADAERN COC[C@@H](C[C@@H](C)CC(C)C)NN 301013209 571785953 /nfs/dbraw/zinc/78/59/53/571785953.db2.gz ZDHCBDUGCRMSER-VHSXEESVSA-N 0 0 188.315 1.537 10 0 ADAERN CCc1ccc(OC(=O)NC)cc1 1841128 571785955 /nfs/dbraw/zinc/78/59/55/571785955.db2.gz LPTHKTMCQQFAOH-UHFFFAOYSA-N 0 0 179.219 1.967 10 0 ADAERN Cc1nc2c(N)cccc2c(=O)o1 27548043 571785958 /nfs/dbraw/zinc/78/59/58/571785958.db2.gz ZSFKGRACIOETIF-UHFFFAOYSA-N 0 0 176.175 1.079 10 0 ADAERN COC[C@H](C[C@@H](C)CC(C)C)NN 301013208 571785962 /nfs/dbraw/zinc/78/59/62/571785962.db2.gz ZDHCBDUGCRMSER-UWVGGRQHSA-N 0 0 188.315 1.537 10 0 ADAERN CCC[C@]1(c2ccccc2)CNC1=O 1855489 571785973 /nfs/dbraw/zinc/78/59/73/571785973.db2.gz ZUQCGHJXVRJGHS-GFCCVEGCSA-N 0 0 189.258 1.854 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1ccsc1 233899103 571785980 /nfs/dbraw/zinc/78/59/80/571785980.db2.gz MEPWXQRMGKBIAM-SFYZADRCSA-N 0 0 172.249 1.552 10 0 ADAERN Cc1ccccc1OCCNO 19727905 571785988 /nfs/dbraw/zinc/78/59/88/571785988.db2.gz SZIXNYNOYBGSEN-UHFFFAOYSA-N 0 0 167.208 1.353 10 0 ADAERN CCC[C@@H](C)Nc1cnnn1CC 301014324 571786003 /nfs/dbraw/zinc/78/60/03/571786003.db2.gz YGTFTZVAJSBBNL-MRVPVSSYSA-N 0 0 182.271 1.899 10 0 ADAERN Cc1nccc2nc(N)ccc12 27550220 571786005 /nfs/dbraw/zinc/78/60/05/571786005.db2.gz PXNKVYQLTJZCOT-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN C[C@H](O)C(=O)Oc1ccc(F)cc1 140158594 571786014 /nfs/dbraw/zinc/78/60/14/571786014.db2.gz JYWCVUJMEPKVHG-LURJTMIESA-N 0 0 184.166 1.112 10 0 ADAERN O=C=CC(=O)Nc1ccccc1 140188771 571786025 /nfs/dbraw/zinc/78/60/25/571786025.db2.gz WHZFOCFKEQZOFG-UHFFFAOYSA-N 0 0 161.160 1.013 10 0 ADAERN O[C@H]1CC[C@H](c2ccccc2)OC1 140174657 571786055 /nfs/dbraw/zinc/78/60/55/571786055.db2.gz DOHFJXVVZPOTHS-WDEREUQCSA-N 0 0 178.231 1.899 10 0 ADAERN CC[C@](C)(OC)c1nnc(N)s1 234158261 571786059 /nfs/dbraw/zinc/78/60/59/571786059.db2.gz LKKMRAJSZSIGJF-ZETCQYMHSA-N 0 0 187.268 1.392 10 0 ADAERN ONCCCOc1cccc(F)c1 19727983 571786100 /nfs/dbraw/zinc/78/61/00/571786100.db2.gz GDAOMOPKFQILMA-UHFFFAOYSA-N 0 0 185.198 1.573 10 0 ADAERN ONCCOc1ccccc1Cl 19727911 571786130 /nfs/dbraw/zinc/78/61/30/571786130.db2.gz YUNOOKYKHMDQHA-UHFFFAOYSA-N 0 0 187.626 1.698 10 0 ADAERN CC[C@@H](OC)C1=NC(=O)CN1C 233899687 571786156 /nfs/dbraw/zinc/78/61/56/571786156.db2.gz MQBJUNHDOKZPQK-ZCFIWIBFSA-N 0 0 170.212 1.223 10 0 ADAERN CC[C@@]1(Cc2ccccc2)CNC1=O 1995640 571786179 /nfs/dbraw/zinc/78/61/79/571786179.db2.gz UWPKFNZGDCDBHX-GFCCVEGCSA-N 0 0 189.258 1.755 10 0 ADAERN C[C@H](CCO)[C@@H]1C[C@H]1C 140129888 571786198 /nfs/dbraw/zinc/78/61/98/571786198.db2.gz LMVALELGRYQJGB-PRJMDXOYSA-N 0 0 128.215 1.661 10 0 ADAERN CC1CCC(O[C@@H](C)C(N)=O)CC1 687801026 571786232 /nfs/dbraw/zinc/78/62/32/571786232.db2.gz NRVYZHUJDNRAOV-MGURRDGZSA-N 0 0 185.267 1.456 10 0 ADAERN CCc1cccc(OCCON)c1 19727771 571786235 /nfs/dbraw/zinc/78/62/35/571786235.db2.gz RXFWCPXWUVTYOB-UHFFFAOYSA-N 0 0 181.235 1.518 10 0 ADAERN CCc1nnc([C@H]2[NH2+]CCC[C@@H]2C)[nH]1 234168325 571786269 /nfs/dbraw/zinc/78/62/69/571786269.db2.gz FAWBREAEDDRHQH-CBAPKCEASA-N 0 0 194.282 1.428 10 0 ADAERN C[C@@H](O)CC(F)F 1998511 571786288 /nfs/dbraw/zinc/78/62/88/571786288.db2.gz CTEKRDCXQUAXMK-GSVOUGTGSA-N 0 0 110.103 1.022 10 0 ADAERN ONCCOc1cccc(Cl)c1 19727912 571786293 /nfs/dbraw/zinc/78/62/93/571786293.db2.gz CKOBACNAWNRCRJ-UHFFFAOYSA-N 0 0 187.626 1.698 10 0 ADAERN C[C@@H]1Oc2ccccc2O[C@H]1CCO 2000692 571786306 /nfs/dbraw/zinc/78/63/06/571786306.db2.gz GPFXMOUKKRIXTF-IUCAKERBSA-N 0 0 194.230 1.597 10 0 ADAERN CN(C)C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 35082158 571786369 /nfs/dbraw/zinc/78/63/69/571786369.db2.gz AQELNLDWNICWFV-YIZRAAEISA-N 0 0 198.335 1.611 10 0 ADAERN CC[C@@H]1OC[C@H]2CC(=O)[C@@H]21 26231738 571786395 /nfs/dbraw/zinc/78/63/95/571786395.db2.gz TUEJBJYDVYHFSE-MHSYXAOVSA-N 0 0 140.182 1.000 10 0 ADAERN CC(=O)SC[C@@H](O)c1ccccc1 39149021 571786397 /nfs/dbraw/zinc/78/63/97/571786397.db2.gz HOLXMJCVZLULPB-SNVBAGLBSA-N 0 0 196.271 2.000 10 0 ADAERN COC[C@H](C[C@H](C)CC(C)C)NN 301013210 571786410 /nfs/dbraw/zinc/78/64/10/571786410.db2.gz ZDHCBDUGCRMSER-ZJUUUORDSA-N 0 0 188.315 1.537 10 0 ADAERN CC(=O)C1CCC(C(C)=O)CC1 37594101 571786435 /nfs/dbraw/zinc/78/64/35/571786435.db2.gz HTQKZDKIIRTXFZ-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN O=C1CC[C@@H]2C(=O)CCC[C@@H]2C1 140164149 571786440 /nfs/dbraw/zinc/78/64/40/571786440.db2.gz LNVHMXKNXAVAOD-APPZFPTMSA-N 0 0 166.220 1.725 10 0 ADAERN Cc1ccccc1CCCON 19729380 571786478 /nfs/dbraw/zinc/78/64/78/571786478.db2.gz RAEKXPYEIHSTLN-UHFFFAOYSA-N 0 0 165.236 1.818 10 0 ADAERN Cc1oc(-c2ccncc2)nc1CO 140125818 571786484 /nfs/dbraw/zinc/78/64/84/571786484.db2.gz UYTDSMHCIAPENO-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN CCC(O)=CC(C)=O 100216564 571786486 /nfs/dbraw/zinc/78/64/86/571786486.db2.gz KYUYZNGETDAULS-UTCJRWHESA-N 0 0 114.144 1.427 10 0 ADAERN CCc1ccccc1OCCON 19727769 571786496 /nfs/dbraw/zinc/78/64/96/571786496.db2.gz ATJFELLIZDUBPW-UHFFFAOYSA-N 0 0 181.235 1.518 10 0 ADAERN COc1cc(C)ccc1OCCON 19727798 571786523 /nfs/dbraw/zinc/78/65/23/571786523.db2.gz UOPSQDQPBYXLMZ-UHFFFAOYSA-N 0 0 197.234 1.273 10 0 ADAERN O[C@@H]1CC[C@@H](c2ccccc2)OC1 140174777 571786526 /nfs/dbraw/zinc/78/65/26/571786526.db2.gz DOHFJXVVZPOTHS-MNOVXSKESA-N 0 0 178.231 1.899 10 0 ADAERN O[C@@H]1COC/C(=C\c2ccccc2)C1 143181424 571786551 /nfs/dbraw/zinc/78/65/51/571786551.db2.gz AUQYJHZYOHIZPU-DSDFTUOUSA-N 0 0 190.242 1.851 10 0 ADAERN CC/C=C(C)/C=C/CO 39147368 571786585 /nfs/dbraw/zinc/78/65/85/571786585.db2.gz QFMGITRPZOYBOD-HLQBBKRNSA-N 0 0 126.199 1.891 10 0 ADAERN C1=CN=C(Nc2ccccc2)OC1 140142606 571786597 /nfs/dbraw/zinc/78/65/97/571786597.db2.gz LFCDXOCRYDQSOT-UHFFFAOYSA-N 0 0 174.203 1.998 10 0 ADAERN COC(=O)C(C)C(C)=O 100218004 571786601 /nfs/dbraw/zinc/78/66/01/571786601.db2.gz AIPOPFFJRPPOPT-SNAWJCMRSA-N 0 0 130.143 1.011 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1cncc(C)c1 233899126 571786602 /nfs/dbraw/zinc/78/66/02/571786602.db2.gz XKBIOOFAALWLJM-ZJUUUORDSA-N 0 0 181.235 1.194 10 0 ADAERN CN(C)c1cccc(OCCON)c1 19727796 571786606 /nfs/dbraw/zinc/78/66/06/571786606.db2.gz PIUMKWHQUPHRNN-UHFFFAOYSA-N 0 0 196.250 1.022 10 0 ADAERN CCCC1(C(=O)N2CCCN2)CC1 400293982 571787532 /nfs/dbraw/zinc/78/75/32/571787532.db2.gz OJPXNWJQLQRPEI-UHFFFAOYSA-N 0 0 182.267 1.304 10 0 ADAERN O=C1N[C@@]2(CCCSC2)CCO1 214495968 571786609 /nfs/dbraw/zinc/78/66/09/571786609.db2.gz OTKBZJYCMFGRBA-QMMMGPOBSA-N 0 0 187.264 1.382 10 0 ADAERN CC[C@H]1C[C@H]1n1cncc1CO 234156969 571786611 /nfs/dbraw/zinc/78/66/11/571786611.db2.gz MLBWVBKUNOCOES-IONNQARKSA-N 0 0 166.224 1.346 10 0 ADAERN CC(C)CC[C@@H]1CC(=O)NC1=O 140126033 571786617 /nfs/dbraw/zinc/78/66/17/571786617.db2.gz QRBBTZKZLWBSQG-SSDOTTSWSA-N 0 0 169.224 1.085 10 0 ADAERN C[C@@]1(C(N)=O)CC2CCC1CC2 1843401 571786631 /nfs/dbraw/zinc/78/66/31/571786631.db2.gz RMXNMWHEZQBBGA-SFVIPPHHSA-N 0 0 167.252 1.688 10 0 ADAERN O=C([O-])C1([NH2+]CCCC(F)F)CC1 710854999 571786636 /nfs/dbraw/zinc/78/66/36/571786636.db2.gz UGLCTGCZRDSKAX-UHFFFAOYSA-N 0 0 193.193 1.239 10 0 ADAERN C[C@H]1Oc2ccccc2O[C@@H]1CCO 2000691 571787533 /nfs/dbraw/zinc/78/75/33/571787533.db2.gz GPFXMOUKKRIXTF-RKDXNWHRSA-N 0 0 194.230 1.597 10 0 ADAERN CC[C@](C)(OC)c1nnc(NC)n1C 234158288 571786650 /nfs/dbraw/zinc/78/66/50/571786650.db2.gz QAHIAOSWODUMRV-VIFPVBQESA-N 0 0 198.270 1.128 10 0 ADAERN CCC(=O)N(CC)CC 100227948 571786653 /nfs/dbraw/zinc/78/66/53/571786653.db2.gz TWANJQVZFRSENW-DAXSKMNVSA-N 0 0 129.203 1.748 10 0 ADAERN CCc1nc(N)c2cccc(F)c2n1 234173633 571786679 /nfs/dbraw/zinc/78/66/79/571786679.db2.gz ZYWUGUPNFLHVCY-UHFFFAOYSA-N 0 0 191.209 1.914 10 0 ADAERN CC[C@@H](C(N)=O)C(C)C 1998481 571786680 /nfs/dbraw/zinc/78/66/80/571786680.db2.gz MIWKMBLORLMHOJ-ZCFIWIBFSA-N 0 0 129.203 1.154 10 0 ADAERN CC[C@H]1C[C@@H]1n1cncc1CO 234171646 571786682 /nfs/dbraw/zinc/78/66/82/571786682.db2.gz MLBWVBKUNOCOES-CBAPKCEASA-N 0 0 166.224 1.346 10 0 ADAERN CC[C@@]1(c2ccc(N)cc2)CNC1=O 1995642 571786698 /nfs/dbraw/zinc/78/66/98/571786698.db2.gz BPBLZEBMRIKMPJ-NSHDSACASA-N 0 0 190.246 1.046 10 0 ADAERN CC1CCC(O[C@H](C)C(N)=O)CC1 687801027 571786709 /nfs/dbraw/zinc/78/67/09/571786709.db2.gz NRVYZHUJDNRAOV-QJAFJHJLSA-N 0 0 185.267 1.456 10 0 ADAERN NOCCCc1cccc(O)c1 19729408 571786711 /nfs/dbraw/zinc/78/67/11/571786711.db2.gz LBTJWTPJIZQQBK-UHFFFAOYSA-N 0 0 167.208 1.215 10 0 ADAERN C[C@@H]1CSC(Cl)=N1 140127189 571786712 /nfs/dbraw/zinc/78/67/12/571786712.db2.gz GBZOJWNWAOPOFE-GSVOUGTGSA-N 0 0 135.619 1.717 10 0 ADAERN COc1cccc(OCCNO)c1 19727918 571787571 /nfs/dbraw/zinc/78/75/71/571787571.db2.gz NWTBCCYVCUWZGM-UHFFFAOYSA-N 0 0 183.207 1.053 10 0 ADAERN C[C@H]1CSC(Cl)=N1 140127340 571786759 /nfs/dbraw/zinc/78/67/59/571786759.db2.gz GBZOJWNWAOPOFE-VKHMYHEASA-N 0 0 135.619 1.717 10 0 ADAERN O=C(C(F)F)C(F)(F)F 1847421 571786760 /nfs/dbraw/zinc/78/67/60/571786760.db2.gz WQAWXRFLNDAOON-UHFFFAOYSA-N 0 0 148.030 1.383 10 0 ADAERN COC[C@@H](C[C@H](C)CC(C)C)NN 301013207 571786781 /nfs/dbraw/zinc/78/67/81/571786781.db2.gz ZDHCBDUGCRMSER-NXEZZACHSA-N 0 0 188.315 1.537 10 0 ADAERN CC(=O)CC[C@H](C)O 100216758 571786845 /nfs/dbraw/zinc/78/68/45/571786845.db2.gz AFALXOCQEVQFBH-QVQDZQDPSA-N 0 0 116.160 1.219 10 0 ADAERN COc1cccc(CCCON)c1 19729387 571786849 /nfs/dbraw/zinc/78/68/49/571786849.db2.gz QCIFHDNVAXWECZ-UHFFFAOYSA-N 0 0 181.235 1.518 10 0 ADAERN CC(=O)C1=C(N)CC1 100216374 571786855 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571787721 /nfs/dbraw/zinc/78/77/21/571787721.db2.gz CLUBWMGIEFXAFU-LURJTMIESA-N 0 0 152.197 1.177 10 0 ADAERN NOCCCOc1ccc(F)cc1 19727826 571787776 /nfs/dbraw/zinc/78/77/76/571787776.db2.gz QSLGLQQQBAPYGX-UHFFFAOYSA-N 0 0 185.198 1.485 10 0 ADAERN Cc1cc(C)cc(OCCON)c1 19727788 571787789 /nfs/dbraw/zinc/78/77/89/571787789.db2.gz DSGFGZISDWNERX-UHFFFAOYSA-N 0 0 181.235 1.573 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1cnccc1C 233899168 571787796 /nfs/dbraw/zinc/78/77/96/571787796.db2.gz ISBFTSZFJGUYNY-ZJUUUORDSA-N 0 0 181.235 1.194 10 0 ADAERN CC(=O)Nc1c(C)c[nH]c1C 37624237 571787803 /nfs/dbraw/zinc/78/78/03/571787803.db2.gz RHWZESYQERMENC-UHFFFAOYSA-N 0 0 152.197 1.590 10 0 ADAERN C[C@H](O)CC(F)F 1998510 571787813 /nfs/dbraw/zinc/78/78/13/571787813.db2.gz CTEKRDCXQUAXMK-VKHMYHEASA-N 0 0 110.103 1.022 10 0 ADAERN CC(=O)CCNC(=O)C1CCCCC1 19782685 571787822 /nfs/dbraw/zinc/78/78/22/571787822.db2.gz QKEYBYGUMYFWFU-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN CCc1nc(OC(C)(C)C)cc(=O)[nH]1 234162587 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10 0 ADAERN C[C@@H](O)CCCN1C(=O)CC1(C)C 687801587 571794430 /nfs/dbraw/zinc/79/44/30/571794430.db2.gz TWBITMKYDFKGCV-MRVPVSSYSA-N 0 0 185.267 1.158 10 0 ADAERN CCCC(=O)[C@@](C)(COCC)OC 687801275 571794443 /nfs/dbraw/zinc/79/44/43/571794443.db2.gz RDAPJLBFCGPMGQ-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN O[C@H]1CCC[C@H]1Oc1ccccc1 37695674 571794453 /nfs/dbraw/zinc/79/44/53/571794453.db2.gz AXHUIGRWVHNKNK-WDEREUQCSA-N 0 0 178.231 1.979 10 0 ADAERN CCOCCOc1ccc(N)nc1 19869199 571794502 /nfs/dbraw/zinc/79/45/02/571794502.db2.gz DSXYAXYLCLFWLL-UHFFFAOYSA-N 0 0 182.223 1.079 10 0 ADAERN C[C@@H]1CCCC(=O)N1CC(C)(C)O 687801276 571794186 /nfs/dbraw/zinc/79/41/86/571794186.db2.gz RKULVXBACCOSSV-MRVPVSSYSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@H](O)CCN1C(=O)C[C@H](C)[C@H]1C 687801291 571794563 /nfs/dbraw/zinc/79/45/63/571794563.db2.gz IGNDRKUTFHZYOR-XHNCKOQMSA-N 0 0 185.267 1.014 10 0 ADAERN C[C@@H]1CCCC(=O)N1CCCCO 687801278 571794662 /nfs/dbraw/zinc/79/46/62/571794662.db2.gz SQOYMNRSQKPZJZ-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN C[C@H]1Cc2cc3c(cc2C1=O)OCO3 27646362 571794685 /nfs/dbraw/zinc/79/46/85/571794685.db2.gz ZSOHEKFEVDPZKH-LURJTMIESA-N 0 0 190.198 1.790 10 0 ADAERN Cc1cnn(C[C@H](C)C(N)=S)c1 37677359 571794731 /nfs/dbraw/zinc/79/47/31/571794731.db2.gz MEWHCCWESVCNQQ-ZETCQYMHSA-N 0 0 183.280 1.114 10 0 ADAERN CCn1cnnc1[C@H]1CC1(C)C 234195027 571794745 /nfs/dbraw/zinc/79/47/45/571794745.db2.gz SFRXMCWUSBKFTB-SSDOTTSWSA-N 0 0 165.240 1.812 10 0 ADAERN C=Cc1ccc([C@@](C)([NH3+])C(=O)[O-])cc1 140294982 571794756 /nfs/dbraw/zinc/79/47/56/571794756.db2.gz NXOPANOFUHJMOQ-LLVKDONJSA-N 0 0 191.230 1.588 10 0 ADAERN CC(C)[C@](C)(O)c1cccnc1 37761309 571799872 /nfs/dbraw/zinc/79/98/72/571799872.db2.gz UOSCICFELNVYGS-JTQLQIEISA-N 0 0 165.236 1.945 10 0 ADAERN C[C@H](O)CCN1C(=O)C[C@H](C)[C@@H]1C 687801288 571794822 /nfs/dbraw/zinc/79/48/22/571794822.db2.gz IGNDRKUTFHZYOR-CIUDSAMLSA-N 0 0 185.267 1.014 10 0 ADAERN Cc1cnn(C[C@@H](C)C(N)=S)c1 37677358 571794861 /nfs/dbraw/zinc/79/48/61/571794861.db2.gz MEWHCCWESVCNQQ-SSDOTTSWSA-N 0 0 183.280 1.114 10 0 ADAERN Cc1cn(N)c2cccnc12 140286687 571794939 /nfs/dbraw/zinc/79/49/39/571794939.db2.gz XLRKPAKWOPLSCH-UHFFFAOYSA-N 0 0 147.181 1.059 10 0 ADAERN CC[C@H](O)CSC(C)C 37697389 571794972 /nfs/dbraw/zinc/79/49/72/571794972.db2.gz SLSUMEMKXUSSBC-ZETCQYMHSA-N 0 0 148.271 1.899 10 0 ADAERN CCn1cnnc1[C@@H]1CC1(C)C 234194134 571795000 /nfs/dbraw/zinc/79/50/00/571795000.db2.gz SFRXMCWUSBKFTB-ZETCQYMHSA-N 0 0 165.240 1.812 10 0 ADAERN CSC[C@H](C)[C@H](NN)C1CC1 301017510 571795022 /nfs/dbraw/zinc/79/50/22/571795022.db2.gz YYSXHXWTWBQPIO-XPUUQOCRSA-N 0 0 174.313 1.227 10 0 ADAERN C[C@@H]1COCC[C@@H]1[C@@H](CC1CC1)NN 301020099 571795029 /nfs/dbraw/zinc/79/50/29/571795029.db2.gz NIBVTHMXOXPGEG-DVVUODLYSA-N 0 0 198.310 1.291 10 0 ADAERN C[C@H]1CCCC(=O)N1CCCCO 687801279 571795049 /nfs/dbraw/zinc/79/50/49/571795049.db2.gz SQOYMNRSQKPZJZ-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN CCSC[C@@H](O)CC 37697113 571795127 /nfs/dbraw/zinc/79/51/27/571795127.db2.gz VYZVRWXBENJFBH-LURJTMIESA-N 0 0 134.244 1.510 10 0 ADAERN CCOC(=O)[C@H]1C[C@@H](O)CC[C@@H]1C 140290553 571795132 /nfs/dbraw/zinc/79/51/32/571795132.db2.gz GUPQXDHWDBBGNX-CIUDSAMLSA-N 0 0 186.251 1.347 10 0 ADAERN O=Cc1ccc2c(c1F)NC(=O)CC2 116937334 571795134 /nfs/dbraw/zinc/79/51/34/571795134.db2.gz RCTAXOWBJCKOJA-UHFFFAOYSA-N 0 0 193.177 1.523 10 0 ADAERN CC[C@H]1C[C@]1(N)C(=O)OC(C)(C)C 113691039 571795137 /nfs/dbraw/zinc/79/51/37/571795137.db2.gz IHJQXMRANKZAFZ-OIBJUYFYSA-N 0 0 185.267 1.456 10 0 ADAERN COc1cccc2c1CCNC2=S 140291007 571795142 /nfs/dbraw/zinc/79/51/42/571795142.db2.gz CFOCGAURLUUWLR-UHFFFAOYSA-N 0 0 193.271 1.516 10 0 ADAERN CC[C@H]1C[C@@]1(N)C(=O)OC(C)(C)C 113691035 571795172 /nfs/dbraw/zinc/79/51/72/571795172.db2.gz IHJQXMRANKZAFZ-XVKPBYJWSA-N 0 0 185.267 1.456 10 0 ADAERN CSCCN1CCCn2nccc21 687801258 571795208 /nfs/dbraw/zinc/79/52/08/571795208.db2.gz FBQDVOVTOAJSCT-UHFFFAOYSA-N 0 0 197.307 1.456 10 0 ADAERN CCOc1c(C)ncc(CO)c1C 116956753 571795240 /nfs/dbraw/zinc/79/52/40/571795240.db2.gz KIHOOHVASICGPR-UHFFFAOYSA-N 0 0 181.235 1.589 10 0 ADAERN CCn1c(CO)nnc1[C@@H]1CC1(C)C 234189844 571795241 /nfs/dbraw/zinc/79/52/41/571795241.db2.gz ZPSWQQAEJRMYEY-ZETCQYMHSA-N 0 0 195.266 1.304 10 0 ADAERN CCCC(=O)[C@](C)(COCC)OC 687801274 571795264 /nfs/dbraw/zinc/79/52/64/571795264.db2.gz RDAPJLBFCGPMGQ-JTQLQIEISA-N 0 0 188.267 1.797 10 0 ADAERN Cc1ncccc1-c1ccnc(N)n1 140295506 571795387 /nfs/dbraw/zinc/79/53/87/571795387.db2.gz BXGFXOUUPGGILH-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(C)SCCCCO 37687246 571795424 /nfs/dbraw/zinc/79/54/24/571795424.db2.gz PZDYGLNZPHHPFL-UHFFFAOYSA-N 0 0 148.271 1.901 10 0 ADAERN CC(F)(F)c1nc(CO)co1 116891304 571795476 /nfs/dbraw/zinc/79/54/76/571795476.db2.gz IQWNJTNPRZWVBY-UHFFFAOYSA-N 0 0 163.123 1.279 10 0 ADAERN C[C@H](O)CSc1ccncc1N 37688081 571795508 /nfs/dbraw/zinc/79/55/08/571795508.db2.gz ILLWGDXVQQHWFT-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN Brc1coc2c1CNC2 214509876 571795551 /nfs/dbraw/zinc/79/55/51/571795551.db2.gz AVHJWBHAVRIOKM-UHFFFAOYSA-N 0 0 188.024 1.645 10 0 ADAERN Cc1cc(CNO)cc(Cl)c1O 214505048 571795745 /nfs/dbraw/zinc/79/57/45/571795745.db2.gz NJWDATSLDVBWBX-UHFFFAOYSA-N 0 0 187.626 1.833 10 0 ADAERN Brc1cc2c([nH]1)COC2 214509954 571795810 /nfs/dbraw/zinc/79/58/10/571795810.db2.gz WYAOAHJMXWAHOJ-UHFFFAOYSA-N 0 0 188.024 1.807 10 0 ADAERN CC[N@H+](C(C)C)[C@@H]1CCC[C@H]1C(=O)[O-] 249993970 571795815 /nfs/dbraw/zinc/79/58/15/571795815.db2.gz NJDDVTMCUQLDHZ-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H](O)CSC(C)C 37697390 571795818 /nfs/dbraw/zinc/79/58/18/571795818.db2.gz SLSUMEMKXUSSBC-SSDOTTSWSA-N 0 0 148.271 1.899 10 0 ADAERN C[C@@H]1Cc2cc3c(cc2C1=O)OCO3 27646356 571795839 /nfs/dbraw/zinc/79/58/39/571795839.db2.gz ZSOHEKFEVDPZKH-ZCFIWIBFSA-N 0 0 190.198 1.790 10 0 ADAERN C=Cc1ccc([C@](C)([NH3+])C(=O)[O-])cc1 140295130 571795867 /nfs/dbraw/zinc/79/58/67/571795867.db2.gz NXOPANOFUHJMOQ-NSHDSACASA-N 0 0 191.230 1.588 10 0 ADAERN Cc1cc(O)cc(CNO)c1Cl 214505461 571795943 /nfs/dbraw/zinc/79/59/43/571795943.db2.gz MHXLWCVRNXQEOM-UHFFFAOYSA-N 0 0 187.626 1.833 10 0 ADAERN CN[C@@H](Cc1cncs1)C(F)F 234452215 571795957 /nfs/dbraw/zinc/79/59/57/571795957.db2.gz WZHFVWYATYZRDY-LURJTMIESA-N 0 0 192.234 1.539 10 0 ADAERN COC[C@H](C)N1C(=O)[C@@H]2CCC[C@@H]21 687801256 571796166 /nfs/dbraw/zinc/79/61/66/571796166.db2.gz ANJZBFAVXMADJB-YIZRAAEISA-N 0 0 183.251 1.032 10 0 ADAERN CCc1c(C=O)ccnc1F 116893732 571796231 /nfs/dbraw/zinc/79/62/31/571796231.db2.gz BQWPCFWYJLABRJ-UHFFFAOYSA-N 0 0 153.156 1.596 10 0 ADAERN CCn1ccnc1-c1ccoc1C=O 234187726 571796279 /nfs/dbraw/zinc/79/62/79/571796279.db2.gz LXNSBGXXYSAQQY-UHFFFAOYSA-N 0 0 190.202 1.976 10 0 ADAERN FC(F)(F)CCc1ncc[nH]1 116894841 571796323 /nfs/dbraw/zinc/79/63/23/571796323.db2.gz WAZVUTVJESAWQY-UHFFFAOYSA-N 0 0 164.130 1.905 10 0 ADAERN CCc1c([C@@H](C)O)ccnc1F 116896027 571796355 /nfs/dbraw/zinc/79/63/55/571796355.db2.gz WWLGREBTPUPXQF-ZCFIWIBFSA-N 0 0 169.199 1.836 10 0 ADAERN CC[C@@]1(O)C[C@H]2CC[C@@H]1C2 39234821 571796386 /nfs/dbraw/zinc/79/63/86/571796386.db2.gz AGVPWIGPOKZAON-DJLDLDEBSA-N 0 0 140.226 1.948 10 0 ADAERN Nc1cscc1C=O 116888774 571796390 /nfs/dbraw/zinc/79/63/90/571796390.db2.gz ZVNOZWSBCGGUAX-UHFFFAOYSA-N 0 0 127.168 1.143 10 0 ADAERN Cc1c(O)cc(CNO)cc1Cl 214505210 571796508 /nfs/dbraw/zinc/79/65/08/571796508.db2.gz OUKFOKSLFJZIPZ-UHFFFAOYSA-N 0 0 187.626 1.833 10 0 ADAERN COc1ccc2nccc(C)c2n1 116936783 571796546 /nfs/dbraw/zinc/79/65/46/571796546.db2.gz OTKGDAKLTXRFSP-UHFFFAOYSA-N 0 0 174.203 1.947 10 0 ADAERN Cc1nc2c(s1)C[C@H](CO)CC2 116884842 571796701 /nfs/dbraw/zinc/79/67/01/571796701.db2.gz QXXDTKKDDQWYBZ-SSDOTTSWSA-N 0 0 183.276 1.549 10 0 ADAERN C[C@H]1NC(=O)c2ccccc2S1 116901039 571796661 /nfs/dbraw/zinc/79/66/61/571796661.db2.gz CJPGWSVYXXCIGI-LURJTMIESA-N 0 0 179.244 1.868 10 0 ADAERN CCOC(=O)[C@@H]1C[C@@H](O)CC[C@@H]1C 140290406 571796754 /nfs/dbraw/zinc/79/67/54/571796754.db2.gz GUPQXDHWDBBGNX-XHNCKOQMSA-N 0 0 186.251 1.347 10 0 ADAERN CCn1c(CO)nnc1[C@H]1CC1(C)C 234190002 571796708 /nfs/dbraw/zinc/79/67/08/571796708.db2.gz ZPSWQQAEJRMYEY-SSDOTTSWSA-N 0 0 195.266 1.304 10 0 ADAERN CSC[C@@H](C)[C@@H](NN)C1CC1 301017504 571796802 /nfs/dbraw/zinc/79/68/02/571796802.db2.gz YYSXHXWTWBQPIO-HTRCEHHLSA-N 0 0 174.313 1.227 10 0 ADAERN O=C1COC[C@H]1CCC[C@H]1CCCO1 710863126 571796810 /nfs/dbraw/zinc/79/68/10/571796810.db2.gz GWQPFMANWKVJKI-ZJUUUORDSA-N 0 0 198.262 1.551 10 0 ADAERN C[C@H](O)CCN1C(=O)C[C@@H](C)[C@@H]1C 687801290 571796815 /nfs/dbraw/zinc/79/68/15/571796815.db2.gz IGNDRKUTFHZYOR-VGMNWLOBSA-N 0 0 185.267 1.014 10 0 ADAERN C=C(NC(C)=O)c1ccccn1 116869417 571796825 /nfs/dbraw/zinc/79/68/25/571796825.db2.gz XGSYCCMPFHYSBU-UHFFFAOYSA-N 0 0 162.192 1.188 10 0 ADAERN Cc1nc2c(s1)C[C@@H](CO)CC2 116884840 571796836 /nfs/dbraw/zinc/79/68/36/571796836.db2.gz QXXDTKKDDQWYBZ-ZETCQYMHSA-N 0 0 183.276 1.549 10 0 ADAERN COc1c(N)cc(C)c(O)c1Cl 214506323 571796984 /nfs/dbraw/zinc/79/69/84/571796984.db2.gz FOLAJAFTSNHTGL-UHFFFAOYSA-N 0 0 187.626 1.945 10 0 ADAERN COC[C@H](C)N1C(=O)[C@H]2CCC[C@H]21 687801255 571796974 /nfs/dbraw/zinc/79/69/74/571796974.db2.gz ANJZBFAVXMADJB-XHNCKOQMSA-N 0 0 183.251 1.032 10 0 ADAERN Cc1cccc2c1CCNC2=S 140293668 571796982 /nfs/dbraw/zinc/79/69/82/571796982.db2.gz OZYNKGXUYYEORJ-UHFFFAOYSA-N 0 0 177.272 1.816 10 0 ADAERN CCN(CC(F)(F)F)[C@@H](C)[C@H](C)O 249961097 571796986 /nfs/dbraw/zinc/79/69/86/571796986.db2.gz MQDDGTJWDLRQQE-BQBZGAKWSA-N 0 0 199.216 1.640 10 0 ADAERN C[C@]1(CO)CCCC2(C1)OCCO2 116886430 571797002 /nfs/dbraw/zinc/79/70/02/571797002.db2.gz NLZYZSHOSOLTAA-VIFPVBQESA-N 0 0 186.251 1.302 10 0 ADAERN CSC[C@H](C)[C@@H](NN)C1CC1 301017505 571797003 /nfs/dbraw/zinc/79/70/03/571797003.db2.gz YYSXHXWTWBQPIO-POYBYMJQSA-N 0 0 174.313 1.227 10 0 ADAERN C[C@@H]1COCC[C@H]1[C@@H](CC1CC1)NN 301020100 571797017 /nfs/dbraw/zinc/79/70/17/571797017.db2.gz NIBVTHMXOXPGEG-FBIMIBRVSA-N 0 0 198.310 1.291 10 0 ADAERN COC(=O)c1ccc(F)c(N(C)C)c1 116890740 571797048 /nfs/dbraw/zinc/79/70/48/571797048.db2.gz UAJQENYYDNNWLB-UHFFFAOYSA-N 0 0 197.209 1.678 10 0 ADAERN C[C@H](O)CCN1C(=O)C[C@@H](C)[C@H]1C 687801289 571797065 /nfs/dbraw/zinc/79/70/65/571797065.db2.gz IGNDRKUTFHZYOR-HRDYMLBCSA-N 0 0 185.267 1.014 10 0 ADAERN Cc1cc(C)n([C@H]2CCC[C@@H]2O)n1 37694431 571797095 /nfs/dbraw/zinc/79/70/95/571797095.db2.gz HDKWKDXEBFQOHD-UWVGGRQHSA-N 0 0 180.251 1.586 10 0 ADAERN Nc1ccc(-c2cccnn2)cn1 116937582 571797106 /nfs/dbraw/zinc/79/71/06/571797106.db2.gz XZTHKJQAKQVJEA-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Cc1ncc2cccn2c1C 95618075 571797181 /nfs/dbraw/zinc/79/71/81/571797181.db2.gz RWOJBYQXLMZJMR-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 endogenous,in-man ADAERN COC[C@@]1(C)CCCC(=O)C1 116885148 571797221 /nfs/dbraw/zinc/79/72/21/571797221.db2.gz MCMFLKHXHPFQHB-VIFPVBQESA-N 0 0 156.225 1.782 10 0 ADAERN COC(=O)c1cc(N)c(F)c(F)c1 116947031 571797224 /nfs/dbraw/zinc/79/72/24/571797224.db2.gz SWANLCBKKWRKNW-UHFFFAOYSA-N 0 0 187.145 1.334 10 0 ADAERN O=C1[C@H]2CC[C@H](C2)C12CC2 116886333 571797243 /nfs/dbraw/zinc/79/72/43/571797243.db2.gz ZYFYCMULISNLFT-NKWVEPMBSA-N 0 0 136.194 1.766 10 0 ADAERN Cc1cccc2c(=O)[nH]c(N)cc12 116928141 571797247 /nfs/dbraw/zinc/79/72/47/571797247.db2.gz CDHUXGUQXVYDBL-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN O=C1COC[C@@H]1CCC[C@@H]1CCCO1 710863122 571797349 /nfs/dbraw/zinc/79/73/49/571797349.db2.gz GWQPFMANWKVJKI-VHSXEESVSA-N 0 0 198.262 1.551 10 0 ADAERN COC[C@]1(C)CCCC(=O)C1 116885150 571797471 /nfs/dbraw/zinc/79/74/71/571797471.db2.gz MCMFLKHXHPFQHB-SECBINFHSA-N 0 0 156.225 1.782 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C[C@@H]1CC1(C)C 235725087 571797495 /nfs/dbraw/zinc/79/74/95/571797495.db2.gz QAKOTCULCHCXNQ-SGDMMICCSA-N 0 0 197.278 1.653 10 0 ADAERN O=Cc1cocc1Br 2245227 571797573 /nfs/dbraw/zinc/79/75/73/571797573.db2.gz YAHPWJLCYPSKEE-UHFFFAOYSA-N 0 0 174.981 1.855 10 0 ADAERN CCOC(=O)N(C)c1ccc(O)cc1 20212785 571797743 /nfs/dbraw/zinc/79/77/43/571797743.db2.gz ARBLJEXNLDKZFS-UHFFFAOYSA-N 0 0 195.218 1.985 10 0 ADAERN COc1ccnc2cc(CO)ccc12 116957278 571797635 /nfs/dbraw/zinc/79/76/35/571797635.db2.gz CRGAITLMNOBVHX-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN CCn1cnnc1-c1cncs1 234197283 571797651 /nfs/dbraw/zinc/79/76/51/571797651.db2.gz NYYOHUZIBAKPQV-UHFFFAOYSA-N 0 0 180.236 1.422 10 0 ADAERN O=Cc1cc(Cl)n2nccc2n1 116873639 571797724 /nfs/dbraw/zinc/79/77/24/571797724.db2.gz LAYMIFSJXCWIGE-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN CSc1nc(C)cn1C 143332297 571797762 /nfs/dbraw/zinc/79/77/62/571797762.db2.gz IIBXASFRKVVMLK-UHFFFAOYSA-N 0 0 142.227 1.450 10 0 ADAERN C[C@@H]1NC(=O)c2ccccc2S1 116901038 571797782 /nfs/dbraw/zinc/79/77/82/571797782.db2.gz CJPGWSVYXXCIGI-ZCFIWIBFSA-N 0 0 179.244 1.868 10 0 ADAERN CCn1cnnc1-c1ccnc(C)c1 234197148 571797789 /nfs/dbraw/zinc/79/77/89/571797789.db2.gz IMQBXFZWJCSNNE-UHFFFAOYSA-N 0 0 188.234 1.668 10 0 ADAERN CC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 221164537 571797845 /nfs/dbraw/zinc/79/78/45/571797845.db2.gz JBSRXWWWDDOZPL-IYKVGLELSA-N 0 0 193.290 1.947 10 0 ADAERN C[C@@H]1COCC[C@H]1C[NH2+]CC(F)F 301019646 571797879 /nfs/dbraw/zinc/79/78/79/571797879.db2.gz NHFRIKHFYLAVET-SFYZADRCSA-N 0 0 193.237 1.514 10 0 ADAERN CCCCC[C@@H](O)[C@H](C)C(=O)OC 39279345 571797841 /nfs/dbraw/zinc/79/78/41/571797841.db2.gz HZYIMDGYVOETSV-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C(C)(C)C1CC1 235721304 571797924 /nfs/dbraw/zinc/79/79/24/571797924.db2.gz DZTUXOGPIBLUHU-SOFGYWHQSA-N 0 0 197.278 1.796 10 0 ADAERN CSc1cncc(CO)c1 116897663 571797982 /nfs/dbraw/zinc/79/79/82/571797982.db2.gz JNUPUTCBRUXLHW-UHFFFAOYSA-N 0 0 155.222 1.296 10 0 ADAERN CC(=O)c1ccc2c(c1)CCNC2=O 116946835 571798000 /nfs/dbraw/zinc/79/80/00/571798000.db2.gz UWCDQUWJCVGSKS-UHFFFAOYSA-N 0 0 189.214 1.175 10 0 ADAERN COC(=O)c1cn(CC(C)(C)C)nn1 199824638 571798092 /nfs/dbraw/zinc/79/80/92/571798092.db2.gz GGCQSUNLBZVKNY-UHFFFAOYSA-N 0 0 197.238 1.111 10 0 ADAERN C[C@@H]1COCC[C@@H]1[C@H](CC1CC1)NN 301020102 571798103 /nfs/dbraw/zinc/79/81/03/571798103.db2.gz NIBVTHMXOXPGEG-MIMYLULJSA-N 0 0 198.310 1.291 10 0 ADAERN CCc1c([C@H](C)O)ccnc1F 116896030 571798145 /nfs/dbraw/zinc/79/81/45/571798145.db2.gz WWLGREBTPUPXQF-LURJTMIESA-N 0 0 169.199 1.836 10 0 ADAERN CCOC(=O)[C@H](C)[N@H+](C)[C@H](C)C1CC1 250698678 571798156 /nfs/dbraw/zinc/79/81/56/571798156.db2.gz RVNUCVZUXLTCQX-BDAKNGLRSA-N 0 0 199.294 1.668 10 0 ADAERN CN(O)Cc1ccc(Cl)c(O)c1 214504827 571798158 /nfs/dbraw/zinc/79/81/58/571798158.db2.gz BOTICSXIXSTENQ-UHFFFAOYSA-N 0 0 187.626 1.867 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C1(C)CCC1 235721544 571798176 /nfs/dbraw/zinc/79/81/76/571798176.db2.gz IMLAYPRKKYGNBH-SOFGYWHQSA-N 0 0 183.251 1.550 10 0 ADAERN CSCCCc1oc(=O)[nH]c1N 301017829 571798182 /nfs/dbraw/zinc/79/81/82/571798182.db2.gz MWAZGNZCIWVXSV-RXMQYKEDSA-N 0 0 188.252 1.006 10 0 ADAERN CN1C=Nc2ccccc2CC1=O 2243438 571798187 /nfs/dbraw/zinc/79/81/87/571798187.db2.gz AZQYNZKSJVKDGV-UHFFFAOYSA-N 0 0 174.203 1.361 10 0 ADAERN Cc1ccc2oc([C@H](N)CO)nc2c1 37746449 571798247 /nfs/dbraw/zinc/79/82/47/571798247.db2.gz OFKYWGCRGDZJCD-SSDOTTSWSA-N 0 0 192.218 1.128 10 0 ADAERN C[C@@]1(CO)CCCC2(C1)OCCO2 116886428 571798251 /nfs/dbraw/zinc/79/82/51/571798251.db2.gz NLZYZSHOSOLTAA-SECBINFHSA-N 0 0 186.251 1.302 10 0 ADAERN CC(C)(Cl)COC(N)=O 116887217 571798288 /nfs/dbraw/zinc/79/82/88/571798288.db2.gz DTYAECLVKSBVAR-UHFFFAOYSA-N 0 0 151.593 1.099 10 0 ADAERN CSCCCc1oc(=O)[nH]c1N 301017830 571798357 /nfs/dbraw/zinc/79/83/57/571798357.db2.gz MWAZGNZCIWVXSV-YFKPBYRVSA-N 0 0 188.252 1.006 10 0 ADAERN CC(C)n1ccccc1=O 2169025 571798365 /nfs/dbraw/zinc/79/83/65/571798365.db2.gz GTIQMQODNINJDI-UHFFFAOYSA-N 0 0 137.182 1.429 10 0 ADAERN COc1c(O)ccc2c1NCC2 116886409 571798409 /nfs/dbraw/zinc/79/84/09/571798409.db2.gz PKHUUIJWWTXSIL-UHFFFAOYSA-N 0 0 165.192 1.369 10 0 ADAERN C[C@@H]1COCC[C@@H]1C[NH2+]CC(F)F 301019644 571798439 /nfs/dbraw/zinc/79/84/39/571798439.db2.gz NHFRIKHFYLAVET-HTQZYQBOSA-N 0 0 193.237 1.514 10 0 ADAERN Cc1cc(Cl)c(O)cc1CNO 214505294 571798465 /nfs/dbraw/zinc/79/84/65/571798465.db2.gz YKKUAMKFVOBDRQ-UHFFFAOYSA-N 0 0 187.626 1.833 10 0 ADAERN COc1cc(CNO)ccc1Cl 214505761 571798474 /nfs/dbraw/zinc/79/84/74/571798474.db2.gz LKXPOSFBDLDSIV-UHFFFAOYSA-N 0 0 187.626 1.827 10 0 ADAERN Cc1cc(N(C)C)cc(F)c1C(N)=O 116940605 571798541 /nfs/dbraw/zinc/79/85/41/571798541.db2.gz JAPOAPHJTJHSFZ-UHFFFAOYSA-N 0 0 196.225 1.299 10 0 ADAERN CC[C@H](O)CN(C)c1ccccc1 39259575 571798640 /nfs/dbraw/zinc/79/86/40/571798640.db2.gz SVYWKGGVSILLKY-NSHDSACASA-N 0 0 179.263 1.894 10 0 ADAERN Cc1ccc2oc([C@@H](N)CO)nc2c1 37746450 571798666 /nfs/dbraw/zinc/79/86/66/571798666.db2.gz OFKYWGCRGDZJCD-ZETCQYMHSA-N 0 0 192.218 1.128 10 0 ADAERN CC(C)C[N@H+](C)[C@H]1CCC[C@H]1C(=O)[O-] 250544726 571798714 /nfs/dbraw/zinc/79/87/14/571798714.db2.gz DGCZEQRHIPUJRR-ZJUUUORDSA-N 0 0 199.294 1.828 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C1(C)CC1 235721519 571798723 /nfs/dbraw/zinc/79/87/23/571798723.db2.gz HMYMIQSIFVZEDJ-FNORWQNLSA-N 0 0 169.224 1.159 10 0 ADAERN Cc1nc(-c2ccsc2N)n(C)n1 104854040 571798857 /nfs/dbraw/zinc/79/88/57/571798857.db2.gz KLANCWLVKTYMMC-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN O[C@@H](C[C@H]1CCCO1)c1cccnc1 37761671 571798906 /nfs/dbraw/zinc/79/89/06/571798906.db2.gz MTVLCZNFGSIBTK-MNOVXSKESA-N 0 0 193.246 1.684 10 0 ADAERN C[C@H]1COCC[C@@H]1C[NH2+]CC(F)F 301019645 571798995 /nfs/dbraw/zinc/79/89/95/571798995.db2.gz NHFRIKHFYLAVET-JGVFFNPUSA-N 0 0 193.237 1.514 10 0 ADAERN Cc1nnc(-c2ccc(N)s2)n1C 104839580 571799018 /nfs/dbraw/zinc/79/90/18/571799018.db2.gz CNTASFDWNVBVLI-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN C[C@H]1C[C@@H](C)[C@H](O)O[C@@H]1C 27704244 571799096 /nfs/dbraw/zinc/79/90/96/571799096.db2.gz IGDSHFNDUZWNHV-LXGUWJNJSA-N 0 0 144.214 1.386 10 0 ADAERN CCc1cc(=O)[nH]c(C2CCCC2)n1 37756660 571799104 /nfs/dbraw/zinc/79/91/04/571799104.db2.gz QKFGIVYMLTXKNF-UHFFFAOYSA-N 0 0 192.262 1.990 10 0 ADAERN CCCC1=NO[C@H](C)C1 143414055 571799106 /nfs/dbraw/zinc/79/91/06/571799106.db2.gz UAAUMQKRPPOTBZ-ZCFIWIBFSA-N 0 0 127.187 1.951 10 0 ADAERN CCC(=O)CCCCOC 37754127 571799120 /nfs/dbraw/zinc/79/91/20/571799120.db2.gz LRPHQTBAPDNXLB-UHFFFAOYSA-N 0 0 144.214 1.782 10 0 ADAERN Cc1cc(N)sc1-c1ncnn1C 104853981 571799157 /nfs/dbraw/zinc/79/91/57/571799157.db2.gz RHXVOIIVWOQIPK-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CNC(=O)Nc1cc(C(C)(C)C)no1 2471217 571799207 /nfs/dbraw/zinc/79/92/07/571799207.db2.gz SCMVCKIBKAYNGT-UHFFFAOYSA-N 0 0 197.238 1.723 10 0 ADAERN CCCCC[C@H](O)[C@H](C)C(=O)OC 39279344 571799208 /nfs/dbraw/zinc/79/92/08/571799208.db2.gz HZYIMDGYVOETSV-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN CCn1ccc(=S)n2nccc12 27716393 571799248 /nfs/dbraw/zinc/79/92/48/571799248.db2.gz BAYWPLPFTCCVGI-UHFFFAOYSA-N 0 0 179.248 1.885 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C1(C)CCCC1 235721561 571799259 /nfs/dbraw/zinc/79/92/59/571799259.db2.gz LIRWHKQZGLFNSU-VQHVLOKHSA-N 0 0 197.278 1.940 10 0 ADAERN CC(C)n1c(=O)oc2ccc(N)cc21 20266715 571799349 /nfs/dbraw/zinc/79/93/49/571799349.db2.gz PMTMFBFSXJJFTP-UHFFFAOYSA-N 0 0 192.218 1.758 10 0 ADAERN CC(=O)O[C@@H](C)c1ccco1 2389351 571799443 /nfs/dbraw/zinc/79/94/43/571799443.db2.gz WOYASPSVTWXGJJ-LURJTMIESA-N 0 0 154.165 1.904 10 0 ADAERN OCCCCCF 2389909 571799463 /nfs/dbraw/zinc/79/94/63/571799463.db2.gz FQBZGBYYKHMJFU-UHFFFAOYSA-N 0 0 106.140 1.119 10 0 ADAERN Cc1nc(-c2ccc(N)s2)n(C)n1 104854073 571799478 /nfs/dbraw/zinc/79/94/78/571799478.db2.gz GBLUQJYJYWEZFD-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC(=O)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 221164591 571799511 /nfs/dbraw/zinc/79/95/11/571799511.db2.gz JBSRXWWWDDOZPL-ROHXPCBUSA-N 0 0 193.290 1.947 10 0 ADAERN Cn1ncnc1-c1ccc(N)s1 104853995 571799539 /nfs/dbraw/zinc/79/95/39/571799539.db2.gz AMIDMTQTKGGLIF-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cc(-c2ccc(C=O)s2)nn1 92108602 571799569 /nfs/dbraw/zinc/79/95/69/571799569.db2.gz UAZHHMSSFQQAER-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1nnc(-c2ccsc2N)n1C 104839529 571799576 /nfs/dbraw/zinc/79/95/76/571799576.db2.gz RJMGLFUFVOABSP-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1ccc(N)cc1N(C)CCCO 301020645 571799636 /nfs/dbraw/zinc/79/96/36/571799636.db2.gz PXKJPAKWPYPZNU-UHFFFAOYSA-N 0 0 194.278 1.396 10 0 ADAERN Cn1ncnc1-c1ccsc1N 104853962 571799654 /nfs/dbraw/zinc/79/96/54/571799654.db2.gz UWOOKABKRFZKQI-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN CCn1cnnc1-c1cnc(C)s1 234197222 571799949 /nfs/dbraw/zinc/79/99/49/571799949.db2.gz WBBLWLVFLQSPKF-UHFFFAOYSA-N 0 0 194.263 1.730 10 0 ADAERN O[C@H](C[C@H]1CCCO1)c1cccnc1 37761670 571800056 /nfs/dbraw/zinc/80/00/56/571800056.db2.gz MTVLCZNFGSIBTK-GHMZBOCLSA-N 0 0 193.246 1.684 10 0 ADAERN O=CN1C[C@H]2CCCCC[C@H]21 21033674 571800095 /nfs/dbraw/zinc/80/00/95/571800095.db2.gz JXFOVYSXZJAELD-RKDXNWHRSA-N 0 0 153.225 1.407 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C[C@H]1CC1(C)C 235725715 571800101 /nfs/dbraw/zinc/80/01/01/571800101.db2.gz QAKOTCULCHCXNQ-VGANXODHSA-N 0 0 197.278 1.653 10 0 ADAERN c1c(C2CC2)nn2c1NCC2 20643278 571800176 /nfs/dbraw/zinc/80/01/76/571800176.db2.gz KWMQZWXEJFLPSR-UHFFFAOYSA-N 0 0 149.197 1.186 10 0 ADAERN C[C@@H](CO)CCC[C@@H](C)CO 39259497 571800238 /nfs/dbraw/zinc/80/02/38/571800238.db2.gz OJGZGRBLINGMOG-RKDXNWHRSA-N 0 0 160.257 1.414 10 0 ADAERN CCCC1CCC([NH3+])(C(=O)[O-])CC1 37743093 571800242 /nfs/dbraw/zinc/80/02/42/571800242.db2.gz ATZCQMMMFSTRLQ-UHFFFAOYSA-N 0 0 185.267 1.759 10 0 ADAERN C=C(Cl)C(=O)N(CC)CCC 401119594 571800250 /nfs/dbraw/zinc/80/02/50/571800250.db2.gz HXPUBKJFNNYIOA-UHFFFAOYSA-N 0 0 175.659 1.997 10 0 ADAERN CC(C)c1cc(NN)nc(Cl)n1 73737756 571801198 /nfs/dbraw/zinc/80/11/98/571801198.db2.gz GJBIQNNIMQAOKT-UHFFFAOYSA-N 0 0 186.646 1.539 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]CCC1CC1 235723959 571801261 /nfs/dbraw/zinc/80/12/61/571801261.db2.gz CGJBVDDEAXVMBB-SOFGYWHQSA-N 0 0 183.251 1.407 10 0 ADAERN CC[C@H](C)CNc1ccc(=O)n(C)c1 37785832 571802525 /nfs/dbraw/zinc/80/25/25/571802525.db2.gz BMBMVWNBFJLRJZ-VIFPVBQESA-N 0 0 194.278 1.843 10 0 ADAERN Nc1ccc(Cc2ccncc2)cc1N 39316610 571800378 /nfs/dbraw/zinc/80/03/78/571800378.db2.gz BGXFDJRAMKQMMA-UHFFFAOYSA-N 0 0 199.257 1.837 10 0 ADAERN Cc1ccc([C@H]2NCCC2=O)cc1 107164341 571800415 /nfs/dbraw/zinc/80/04/15/571800415.db2.gz GBNLSCVKJRDTHP-LLVKDONJSA-N 0 0 175.231 1.599 10 0 ADAERN CCOC(=O)[C@@H](C)[N@H+](C)[C@H](C)C1CC1 250698681 571800573 /nfs/dbraw/zinc/80/05/73/571800573.db2.gz RVNUCVZUXLTCQX-RKDXNWHRSA-N 0 0 199.294 1.668 10 0 ADAERN C[C@H]1CC[C@H](c2cc(N)n[nH]2)O1 72226786 571801328 /nfs/dbraw/zinc/80/13/28/571801328.db2.gz BOEHUAWBEDFMDA-CAHLUQPWSA-N 0 0 167.212 1.232 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]CCCC1CC1 235724130 571800681 /nfs/dbraw/zinc/80/06/81/571800681.db2.gz VXLRWTBVNHVLOK-VQHVLOKHSA-N 0 0 197.278 1.797 10 0 ADAERN Cc1ccc([C@@H]2NCCC2=O)cc1 107164343 571800757 /nfs/dbraw/zinc/80/07/57/571800757.db2.gz GBNLSCVKJRDTHP-NSHDSACASA-N 0 0 175.231 1.599 10 0 ADAERN Cc1cc(OC(C)C)n(C)n1 72226185 571800793 /nfs/dbraw/zinc/80/07/93/571800793.db2.gz IIWJEWLJDOSXIS-UHFFFAOYSA-N 0 0 154.213 1.516 10 0 ADAERN CCO[C@H]1CC(=O)[C@@H]1C 73733707 571800827 /nfs/dbraw/zinc/80/08/27/571800827.db2.gz ZIFOLMFMBZRDLS-FSPLSTOPSA-N 0 0 128.171 1.000 10 0 ADAERN CCO[C@@H]1CC(=O)[C@H]1C 73733709 571800871 /nfs/dbraw/zinc/80/08/71/571800871.db2.gz ZIFOLMFMBZRDLS-IYSWYEEDSA-N 0 0 128.171 1.000 10 0 ADAERN C[C@](O)(CCC1CC1)[C@H]1CCOC1 235723612 571800909 /nfs/dbraw/zinc/80/09/09/571800909.db2.gz REQXKJQRDQCGMY-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H](O)[C@@H]1CC[C@@H]2C[C@@H]2C1 21115362 571800917 /nfs/dbraw/zinc/80/09/17/571800917.db2.gz HDBAIDZCTQIPQF-KDXUFGMBSA-N 0 0 140.226 1.803 10 0 ADAERN C[C@H](O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 21288002 571800997 /nfs/dbraw/zinc/80/09/97/571800997.db2.gz SGRKQHFYNWSKLV-VRGHQRLXSA-N 0 0 140.226 1.659 10 0 ADAERN CC[C@@](C)(CC(=O)[O-])[C@@H]1CCC[NH2+]1 72208380 571801000 /nfs/dbraw/zinc/80/10/00/571801000.db2.gz YKVJVKRZCIYJPF-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN FC(F)(F)[C@H]1NC[C@@H]2CC[C@@H]12 72208592 571801015 /nfs/dbraw/zinc/80/10/15/571801015.db2.gz YOAGFHPPMIXJDS-JKUQZMGJSA-N 0 0 165.158 1.547 10 0 ADAERN FC(F)(F)[C@H]1NC[C@H]2CCC[C@H]21 72208588 571801024 /nfs/dbraw/zinc/80/10/24/571801024.db2.gz KEABKQQNDCRUNK-QYNIQEEDSA-N 0 0 179.185 1.937 10 0 ADAERN CCOC(=O)N1CCC[C@@H]1/C=C\OC 687801774 571801454 /nfs/dbraw/zinc/80/14/54/571801454.db2.gz PZTPGJWPRPJWPC-JGAIRUGNSA-N 0 0 199.250 1.767 10 0 ADAERN C[C@H]1CC[C@H](C(C)(C)O)C[C@H]1O 2584550 571801107 /nfs/dbraw/zinc/80/11/07/571801107.db2.gz QTJUHINKPNOAEU-XHNCKOQMSA-N 0 0 172.268 1.554 10 0 ADAERN C[C@@H]1CC[C@@H](c2cc(N)n[nH]2)O1 72226787 571801168 /nfs/dbraw/zinc/80/11/68/571801168.db2.gz BOEHUAWBEDFMDA-VDTYLAMSSA-N 0 0 167.212 1.232 10 0 ADAERN CC(C)C[N@H+](C)[C@@H]1CCC[C@H]1C(=O)[O-] 250544722 571801220 /nfs/dbraw/zinc/80/12/20/571801220.db2.gz DGCZEQRHIPUJRR-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]CC1(C)CC1 235723125 571801272 /nfs/dbraw/zinc/80/12/72/571801272.db2.gz 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571801776 /nfs/dbraw/zinc/80/17/76/571801776.db2.gz REPADENAKPCLGX-UHFFFAOYSA-N 0 0 197.629 1.205 10 0 ADAERN CCC[C@@H](CO)C[C@H](CC)CO 39274756 571801806 /nfs/dbraw/zinc/80/18/06/571801806.db2.gz QMUHKDYJFFYPNU-VHSXEESVSA-N 0 0 174.284 1.804 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@H]1CC1(C)C 235727765 571801811 /nfs/dbraw/zinc/80/18/11/571801811.db2.gz ASEAWLMOFZWUOB-IPWDFOCMSA-N 0 0 183.251 1.405 10 0 ADAERN Cc1cc([C@H]([NH3+])CC(=O)[O-])oc1C 2597513 571801812 /nfs/dbraw/zinc/80/18/12/571801812.db2.gz ADBDACGMROCLJH-SSDOTTSWSA-N 0 0 183.207 1.371 10 0 ADAERN CCCCCCc1noc(CN)n1 73641142 571801940 /nfs/dbraw/zinc/80/19/40/571801940.db2.gz HALJWDHBYNANGI-UHFFFAOYSA-N 0 0 183.255 1.651 10 0 ADAERN C[C@H](Nc1ccc(=O)n(C)c1)C1CC1 37785223 571801955 /nfs/dbraw/zinc/80/19/55/571801955.db2.gz GIIPJRRXGBPVGF-QMMMGPOBSA-N 0 0 192.262 1.596 10 0 ADAERN OC1([C@]23CCC[C@H]2C3)CC1 20662520 571801957 /nfs/dbraw/zinc/80/19/57/571801957.db2.gz SIMBFFSIRXUYLR-YUMQZZPRSA-N 0 0 138.210 1.702 10 0 ADAERN 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/nfs/dbraw/zinc/80/23/18/571802318.db2.gz UNGZFRJQRUAFPT-BWVDBABLSA-N 0 0 140.226 1.803 10 0 ADAERN CCn1c(CC2CC2)n[nH]c1=S 73739800 571802331 /nfs/dbraw/zinc/80/23/31/571802331.db2.gz PHBLIYBTRHVSKH-UHFFFAOYSA-N 0 0 183.280 1.913 10 0 ADAERN CCOC(=O)N1CCC[C@@H]1/C=C/OC 687801770 571802340 /nfs/dbraw/zinc/80/23/40/571802340.db2.gz PZTPGJWPRPJWPC-BNICOGTQSA-N 0 0 199.250 1.767 10 0 ADAERN CCc1c(C)nc(Cl)nc1NN 73737750 571802355 /nfs/dbraw/zinc/80/23/55/571802355.db2.gz OPQQTJURTSZGQL-UHFFFAOYSA-N 0 0 186.646 1.286 10 0 ADAERN CC[C@@](C)(CC(=O)[O-])[C@@H]([NH3+])C(C)C 72208378 571802363 /nfs/dbraw/zinc/80/23/63/571802363.db2.gz MBFJJZCIRPMZPT-UWVGGRQHSA-N 0 0 187.283 1.861 10 0 ADAERN Cc1cc(C)cc([C@@H]2NCCC2=O)c1 107174433 571802377 /nfs/dbraw/zinc/80/23/77/571802377.db2.gz MIWRHNRFGVJVRC-LBPRGKRZSA-N 0 0 189.258 1.907 10 0 ADAERN O=C(N1CCCCC1)[C@]12COC[C@H]1C2 689180714 571802390 /nfs/dbraw/zinc/80/23/90/571802390.db2.gz JHGBZLSZFXOTOF-MWLCHTKSSA-N 0 0 195.262 1.035 10 0 ADAERN 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/nfs/dbraw/zinc/80/29/28/571802928.db2.gz YKVJVKRZCIYJPF-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CC[C@H](C)Cc1noc(CN)n1 73641158 571802932 /nfs/dbraw/zinc/80/29/32/571802932.db2.gz ZUFPWWWNWOWTAR-LURJTMIESA-N 0 0 169.228 1.117 10 0 ADAERN CC[C@H](C[C@H]1CCCO1)[C@H](C)O 251033807 571802939 /nfs/dbraw/zinc/80/29/39/571802939.db2.gz AWKURYCOKNKTFG-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)[N@@H+]1CCc2ncc(O)cc2C1 72221101 571802946 /nfs/dbraw/zinc/80/29/46/571802946.db2.gz XTUMQBOEYULWHE-UHFFFAOYSA-N 0 0 192.262 1.554 10 0 ADAERN O=C1CCOc2cnccc21 20975727 571803021 /nfs/dbraw/zinc/80/30/21/571803021.db2.gz OONYBZAPPAYQCQ-UHFFFAOYSA-N 0 0 149.149 1.047 10 0 ADAERN O=C(C[C@H]1CCCCO1)C(F)F 687722426 571803027 /nfs/dbraw/zinc/80/30/27/571803027.db2.gz WCKYFCMPGRCOPJ-ZCFIWIBFSA-N 0 0 178.178 1.780 10 0 ADAERN CC[C@@H](C)CNc1ccc(=O)n(C)c1 37785831 571803042 /nfs/dbraw/zinc/80/30/42/571803042.db2.gz BMBMVWNBFJLRJZ-SECBINFHSA-N 0 0 194.278 1.843 10 0 ADAERN CCO[C@H]1CC(=O)[C@H]1CC 73733721 571803100 /nfs/dbraw/zinc/80/31/00/571803100.db2.gz WXOPPZOJGDZSGY-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN C[C@@H]1CC[C@H](c2cc(N)n[nH]2)O1 72226785 571803205 /nfs/dbraw/zinc/80/32/05/571803205.db2.gz BOEHUAWBEDFMDA-IYSWYEEDSA-N 0 0 167.212 1.232 10 0 ADAERN CC(C)CCNc1ccc(=O)n(C)c1 37785463 571803237 /nfs/dbraw/zinc/80/32/37/571803237.db2.gz MBFFMNGNAGWUOA-UHFFFAOYSA-N 0 0 194.278 1.843 10 0 ADAERN CCOC(=O)N1CCC[C@H]1/C=C\OC 687801776 571803254 /nfs/dbraw/zinc/80/32/54/571803254.db2.gz PZTPGJWPRPJWPC-XZLDQRQTSA-N 0 0 199.250 1.767 10 0 ADAERN C[C@](CO)(NC1CC1)C(F)(F)F 235735086 571803328 /nfs/dbraw/zinc/80/33/28/571803328.db2.gz LTEMZRDPLSMZNL-ZCFIWIBFSA-N 0 0 183.173 1.052 10 0 ADAERN CCO[C@H]1CC(=O)[C@@H]1CC 73733718 571803340 /nfs/dbraw/zinc/80/33/40/571803340.db2.gz WXOPPZOJGDZSGY-XPUUQOCRSA-N 0 0 142.198 1.391 10 0 ADAERN CCC(CC)Nc1ccc(=O)n(C)c1 37785407 571803398 /nfs/dbraw/zinc/80/33/98/571803398.db2.gz GEXKCZYYFLWQSY-UHFFFAOYSA-N 0 0 194.278 1.986 10 0 ADAERN COC[C@H](C)C(=O)C1CC1 21413422 571803539 /nfs/dbraw/zinc/80/35/39/571803539.db2.gz IJGNSXWLQPWINL-LURJTMIESA-N 0 0 142.198 1.248 10 0 ADAERN CCCC[C@@H](C)c1noc(CN)n1 73641152 571803540 /nfs/dbraw/zinc/80/35/40/571803540.db2.gz DKERKJWRLBZVQM-SSDOTTSWSA-N 0 0 183.255 1.822 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C1CCC1 235722476 571803548 /nfs/dbraw/zinc/80/35/48/571803548.db2.gz CNFQPYQEPGLFAW-FNORWQNLSA-N 0 0 169.224 1.159 10 0 ADAERN CCc1nc([C@@H](C)n2cccn2)n[nH]1 234200315 571803628 /nfs/dbraw/zinc/80/36/28/571803628.db2.gz LKFMNUHJWFPTJG-SSDOTTSWSA-N 0 0 191.238 1.173 10 0 ADAERN c1c2c(nn1C1CC1)CCC2 20647610 571803637 /nfs/dbraw/zinc/80/36/37/571803637.db2.gz SFGIUIRASDBUAD-UHFFFAOYSA-N 0 0 148.209 1.707 10 0 ADAERN C[C@](O)(CCC1CC1)[C@@H]1CCOC1 235723577 571803906 /nfs/dbraw/zinc/80/39/06/571803906.db2.gz REQXKJQRDQCGMY-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN COC[C@@H](C)C(=O)C1CC1 21413419 571804196 /nfs/dbraw/zinc/80/41/96/571804196.db2.gz IJGNSXWLQPWINL-ZCFIWIBFSA-N 0 0 142.198 1.248 10 0 ADAERN COC(=O)C(=N)Cc1ccccc1 21990945 571804197 /nfs/dbraw/zinc/80/41/97/571804197.db2.gz JBTZFZBGJQGMQZ-UHFFFAOYSA-N 0 0 177.203 1.422 10 0 ADAERN OCC[C@@H]1CC[C@@H]2C[C@@H]2C1 20879922 571804238 /nfs/dbraw/zinc/80/42/38/571804238.db2.gz LKWSPKUHXDDBCK-YIZRAAEISA-N 0 0 140.226 1.805 10 0 ADAERN O=C(N1CCCCC1)[C@@]12COC[C@@H]1C2 689180715 571804327 /nfs/dbraw/zinc/80/43/27/571804327.db2.gz JHGBZLSZFXOTOF-ONGXEEELSA-N 0 0 195.262 1.035 10 0 ADAERN COC[C@]1(C2CC2)[C@@H](CO)C1(C)C 301025390 571808946 /nfs/dbraw/zinc/80/89/46/571808946.db2.gz RRFKBJZHHWRIHN-ONGXEEELSA-N 0 0 184.279 1.678 10 0 ADAERN CC[C@H]([NH3+])C(=O)Cc1csc(C)n1 74237275 571804435 /nfs/dbraw/zinc/80/44/35/571804435.db2.gz ISQNATBABALBOE-QMMMGPOBSA-N 0 0 198.291 1.300 10 0 ADAERN Cc1cc(C(=O)CN)cc2cc[nH]c12 214522146 571808846 /nfs/dbraw/zinc/80/88/46/571808846.db2.gz WHMWEFPFYBPDBD-UHFFFAOYSA-N 0 0 188.230 1.618 10 0 ADAERN [NH3+][C@@H](Cc1cccnc1)c1ccccn1 74215020 571804583 /nfs/dbraw/zinc/80/45/83/571804583.db2.gz ZGXOWXYFSQSYRE-NSHDSACASA-N 0 0 199.257 1.719 10 0 ADAERN CC(=O)[C@@H](C)N(C)C[C@H]1CCCCO1 251019649 571804635 /nfs/dbraw/zinc/80/46/35/571804635.db2.gz CLIOGXBCIQVFQR-MWLCHTKSSA-N 0 0 199.294 1.465 10 0 ADAERN CCOC(OCC)N(CC)CC 39332518 571804674 /nfs/dbraw/zinc/80/46/74/571804674.db2.gz AYZXEGOJMRKZCV-UHFFFAOYSA-N 0 0 175.272 1.685 10 0 ADAERN Cc1cn(-c2ccc(=S)[nH]n2)cn1 73666005 571804789 /nfs/dbraw/zinc/80/47/89/571804789.db2.gz UYKKMRGYKCJATQ-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN CC[C@@H]1C[NH2+]CC[C@@H]1CCC(=O)[O-] 34582444 571805212 /nfs/dbraw/zinc/80/52/12/571805212.db2.gz SEYILLWPBQAQEU-BDAKNGLRSA-N 0 0 185.267 1.487 10 0 ADAERN C/C=C\N1CCCC1=O 113288680 571808865 /nfs/dbraw/zinc/80/88/65/571808865.db2.gz BFYSJBXFEVRVII-DJWKRKHSSA-N 0 0 125.171 1.142 10 0 ADAERN C[C@@H]1COC[C@]1(O)Cc1nccs1 710888737 571805449 /nfs/dbraw/zinc/80/54/49/571805449.db2.gz HYMOSEFYSHRZJK-VXNVDRBHSA-N 0 0 199.275 1.083 10 0 ADAERN Cc1ccncc1[C@H]([NH3+])c1cccnc1 74214996 571809017 /nfs/dbraw/zinc/80/90/17/571809017.db2.gz OIHYEVLSALWTHQ-GFCCVEGCSA-N 0 0 199.257 1.833 10 0 ADAERN O=C([O-])C[C@H](C1CC1)[NH+]1CCCCC1 74239418 571805506 /nfs/dbraw/zinc/80/55/06/571805506.db2.gz HVAWVISUXQSBQX-SNVBAGLBSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1ccncc1[C@@H]([NH3+])c1ccccn1 74214993 571805528 /nfs/dbraw/zinc/80/55/28/571805528.db2.gz CLQJZTNWQODXGF-GFCCVEGCSA-N 0 0 199.257 1.833 10 0 ADAERN NC1=CCC=CC1=S 583935250 571805601 /nfs/dbraw/zinc/80/56/01/571805601.db2.gz YXHKWXFUXIDSDL-UHFFFAOYSA-N 0 0 124.188 1.717 10 0 ADAERN CC[C@H]1C[NH2+]CC[C@@H]1CCC(=O)[O-] 34582447 571805652 /nfs/dbraw/zinc/80/56/52/571805652.db2.gz SEYILLWPBQAQEU-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN O=C([O-])C[C@@H](C1CC1)[NH+]1CCCCC1 74239416 571805661 /nfs/dbraw/zinc/80/56/61/571805661.db2.gz HVAWVISUXQSBQX-JTQLQIEISA-N 0 0 197.278 1.726 10 0 ADAERN CCOC(=O)[C@@H](CC(C)C)N(C)C 113291244 571809440 /nfs/dbraw/zinc/80/94/40/571809440.db2.gz YIKWWZFQTKVPET-SECBINFHSA-N 0 0 187.283 1.526 10 0 ADAERN C[C@H]1COC[C@]1(O)Cc1nccs1 710888734 571805941 /nfs/dbraw/zinc/80/59/41/571805941.db2.gz HYMOSEFYSHRZJK-IONNQARKSA-N 0 0 199.275 1.083 10 0 ADAERN CCCN(CCC)C(=N)NC#N 169096337 571805962 /nfs/dbraw/zinc/80/59/62/571805962.db2.gz RHBSRXDPAMHQIT-UHFFFAOYSA-N 0 0 168.244 1.114 10 0 ADAERN COc1cccc(COC(N)=O)c1 143389266 571805971 /nfs/dbraw/zinc/80/59/71/571805971.db2.gz RHVFHZIZSIIUNU-UHFFFAOYSA-N 0 0 181.191 1.291 10 0 ADAERN CC(=O)[C@H](C)N(C)C[C@H]1CCCO1 251053803 571806014 /nfs/dbraw/zinc/80/60/14/571806014.db2.gz SUFBHWPNGASVMM-WCBMZHEXSA-N 0 0 185.267 1.075 10 0 ADAERN Cc1ccc2c(=O)[nH]c(C=O)nc2c1 214514226 571809451 /nfs/dbraw/zinc/80/94/51/571809451.db2.gz BVDFORWGFQTQBE-UHFFFAOYSA-N 0 0 188.186 1.044 10 0 ADAERN CC[C@@H]1C[NH2+]CC[C@H]1CCC(=O)[O-] 34582450 571806179 /nfs/dbraw/zinc/80/61/79/571806179.db2.gz SEYILLWPBQAQEU-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN CC[C@H]1C[NH2+]CC[C@H]1CCC(=O)[O-] 34582453 571806184 /nfs/dbraw/zinc/80/61/84/571806184.db2.gz SEYILLWPBQAQEU-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN CC(C)(CO)CCCN1CCCC1=O 393435882 571806241 /nfs/dbraw/zinc/80/62/41/571806241.db2.gz FRAHMGIPEOTCDD-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CC(=O)[C@@H](C)N(C)C[C@H]1CCCO1 251053800 571806394 /nfs/dbraw/zinc/80/63/94/571806394.db2.gz SUFBHWPNGASVMM-PSASIEDQSA-N 0 0 185.267 1.075 10 0 ADAERN COCCC(=O)C1(OC)CCC1 687722422 571806500 /nfs/dbraw/zinc/80/65/00/571806500.db2.gz UDYUHVJHCSWAHH-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN CCC[N@@H+]1CC[C@@H](CC(=O)[O-])[C@H](C)C1 73654095 571806513 /nfs/dbraw/zinc/80/65/13/571806513.db2.gz NLBYWYBFSPAPIC-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)[C@H](C)N(C)C[C@H]1CCCCO1 251019647 571806516 /nfs/dbraw/zinc/80/65/16/571806516.db2.gz CLIOGXBCIQVFQR-GXSJLCMTSA-N 0 0 199.294 1.465 10 0 ADAERN CC[C@H]([NH3+])C(=O)Cc1ccc(F)cc1 74244579 571806586 /nfs/dbraw/zinc/80/65/86/571806586.db2.gz DOEAXJDTBNHJQB-JTQLQIEISA-N 0 0 195.237 1.675 10 0 ADAERN CCC(CC)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 74214790 571806641 /nfs/dbraw/zinc/80/66/41/571806641.db2.gz YXUTXRJWUFXCOJ-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H]1COC[C@@]1(O)CC1CC1 710907115 571806731 /nfs/dbraw/zinc/80/67/31/571806731.db2.gz MZIPVDPRDAARNY-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN C/C=C\CCNC(=O)[C@]12COC[C@H]1C2 689184494 571806756 /nfs/dbraw/zinc/80/67/56/571806756.db2.gz YDMHRKTZKYCQHY-NWRGJWMSSA-N 0 0 195.262 1.105 10 0 ADAERN COC(=O)c1ccc([C@@H](O)C(C)C)o1 234590384 571806830 /nfs/dbraw/zinc/80/68/30/571806830.db2.gz KWDDLWYJNVIWCE-VIFPVBQESA-N 0 0 198.218 1.756 10 0 ADAERN [NH3+][C@H](Cc1cccnc1)c1ccccn1 74215019 571806834 /nfs/dbraw/zinc/80/68/34/571806834.db2.gz ZGXOWXYFSQSYRE-LLVKDONJSA-N 0 0 199.257 1.719 10 0 ADAERN Cc1ccc(C)c(CO)c1CO 3200779 571806845 /nfs/dbraw/zinc/80/68/45/571806845.db2.gz VEUQLUPXQJDUJB-UHFFFAOYSA-N 0 0 166.220 1.288 10 0 ADAERN COC(C)(C)C[C@@H](N)C(F)(F)F 234591157 571806927 /nfs/dbraw/zinc/80/69/27/571806927.db2.gz TXAGSPCAHNTJQG-RXMQYKEDSA-N 0 0 185.189 1.691 10 0 ADAERN C[C@H]1C[N@H+](C)CC[C@@H]1CC(=O)[O-] 73653771 571806958 /nfs/dbraw/zinc/80/69/58/571806958.db2.gz SDZGRFMDDCVKBF-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1ccncc1[C@@H]([NH3+])c1cccnc1 74214997 571806968 /nfs/dbraw/zinc/80/69/68/571806968.db2.gz OIHYEVLSALWTHQ-LBPRGKRZSA-N 0 0 199.257 1.833 10 0 ADAERN Cc1n[nH]cc1CNc1[nH]cc[nH+]1 235738022 571806980 /nfs/dbraw/zinc/80/69/80/571806980.db2.gz CVJQOVNIBWSOHB-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN C[C@H]1C[C@@H](CC(=O)[O-])CC[N@@H+]1C 73655692 571806991 /nfs/dbraw/zinc/80/69/91/571806991.db2.gz VECLAOAOLRQDDS-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN COC(=O)C=CN[C@H](C)CSC 234590517 571807192 /nfs/dbraw/zinc/80/71/92/571807192.db2.gz HJEQEPNVRUVKNR-SMMXGFFBSA-N 0 0 189.280 1.014 10 0 ADAERN CC[C@@H]1COC[C@]1(O)CC1CC1 710907068 571807253 /nfs/dbraw/zinc/80/72/53/571807253.db2.gz MZIPVDPRDAARNY-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN CCC[N@@H+]1CC[C@H](CC(=O)[O-])[C@H](C)C1 73654094 571807326 /nfs/dbraw/zinc/80/73/26/571807326.db2.gz NLBYWYBFSPAPIC-NXEZZACHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H]1C[C@H](CC(=O)[O-])CC[N@@H+]1C 73655683 571807373 /nfs/dbraw/zinc/80/73/73/571807373.db2.gz VECLAOAOLRQDDS-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@H]1COC[C@@]1(O)Cc1ccoc1 710902131 571807442 /nfs/dbraw/zinc/80/74/42/571807442.db2.gz VPGGQQGDUQUQHS-QWRGUYRKSA-N 0 0 196.246 1.610 10 0 ADAERN COc1cc(C=O)c(OC)cc1O 3198639 571807455 /nfs/dbraw/zinc/80/74/55/571807455.db2.gz BAMYKVUGRCKVHP-UHFFFAOYSA-N 0 0 182.175 1.222 10 0 ADAERN CC[C@@H]([NH3+])C(=O)Cc1csc(C)n1 74237278 571807481 /nfs/dbraw/zinc/80/74/81/571807481.db2.gz ISQNATBABALBOE-MRVPVSSYSA-N 0 0 198.291 1.300 10 0 ADAERN CCn1ccnc1[C@@H]([NH3+])[C@H]1CC1(C)C 234204663 571807556 /nfs/dbraw/zinc/80/75/56/571807556.db2.gz BQLMYOHLYIPBCJ-BDAKNGLRSA-N 0 0 193.294 1.949 10 0 ADAERN NNc1ccc(CCl)cc1 118134731 571807572 /nfs/dbraw/zinc/80/75/72/571807572.db2.gz IJLBBGZNBWGDSF-UHFFFAOYSA-N 0 0 156.616 1.711 10 0 ADAERN CC(C)Sc1ccnc(=O)[nH]1 3163191 571807627 /nfs/dbraw/zinc/80/76/27/571807627.db2.gz PMUVBXOUEUEAFT-UHFFFAOYSA-N 0 0 170.237 1.270 10 0 ADAERN CCn1cc([C@H]2CC[C@H](O)[C@@H]2C)cn1 84876574 571807736 /nfs/dbraw/zinc/80/77/36/571807736.db2.gz ULODLNOSEARURF-MIMYLULJSA-N 0 0 194.278 1.777 10 0 ADAERN Cc1nc(C=O)nc2c(O)cccc12 214514063 571807749 /nfs/dbraw/zinc/80/77/49/571807749.db2.gz SDOPFIDVGATGSG-UHFFFAOYSA-N 0 0 188.186 1.456 10 0 ADAERN CC[C@H]1COC[C@@]1(O)C1=COCCC1 710903155 571807795 /nfs/dbraw/zinc/80/77/95/571807795.db2.gz YKBWVPLZUPVJAM-ONGXEEELSA-N 0 0 198.262 1.468 10 0 ADAERN COC[C@@]1(C2CC2)[C@H](CO)C1(C)C 301025388 571807847 /nfs/dbraw/zinc/80/78/47/571807847.db2.gz RRFKBJZHHWRIHN-MWLCHTKSSA-N 0 0 184.279 1.678 10 0 ADAERN C[C@@H]1C[N@H+](C)CC[C@@H]1CC(=O)[O-] 73653768 571807871 /nfs/dbraw/zinc/80/78/71/571807871.db2.gz SDZGRFMDDCVKBF-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN CNNC(=S)Nc1ccc(C)cc1 3198671 571807941 /nfs/dbraw/zinc/80/79/41/571807941.db2.gz QXKKRYDXXFCVMK-UHFFFAOYSA-N 0 0 195.291 1.416 10 0 ADAERN CCn1cc([C@H]2CC[C@@H](O)[C@@H]2C)cn1 84876577 571807974 /nfs/dbraw/zinc/80/79/74/571807974.db2.gz ULODLNOSEARURF-DVVUODLYSA-N 0 0 194.278 1.777 10 0 ADAERN CC(C)Oc1cncnc1 200025163 571807976 /nfs/dbraw/zinc/80/79/76/571807976.db2.gz IYXYRUPBYNCTNU-UHFFFAOYSA-N 0 0 138.170 1.264 10 0 ADAERN C[C@]1(CNc2[nH]cc[nH+]2)CCCO1 235740960 571807983 /nfs/dbraw/zinc/80/79/83/571807983.db2.gz JDOHOXACENSIOS-SECBINFHSA-N 0 0 181.239 1.391 10 0 ADAERN COC(=O)C=CN[C@H](C)CC1CC1 234589800 571808006 /nfs/dbraw/zinc/80/80/06/571808006.db2.gz HLGJGNIXWSFHQU-HQZHTGGTSA-N 0 0 183.251 1.451 10 0 ADAERN Cc1cc(F)ccc1[C@H](O)CCCO 235745053 571808014 /nfs/dbraw/zinc/80/80/14/571808014.db2.gz VQAPYMXXPUZOFC-LLVKDONJSA-N 0 0 198.237 1.940 10 0 ADAERN CC(C)CCNC(=O)c1ccno1 74713641 571810092 /nfs/dbraw/zinc/81/00/92/571810092.db2.gz MUDHNQQHEFOJMG-UHFFFAOYSA-N 0 0 182.223 1.451 10 0 ADAERN CC[C@@H]([NH3+])C(=O)Cc1ccc(F)cc1 74244580 571808130 /nfs/dbraw/zinc/80/81/30/571808130.db2.gz DOEAXJDTBNHJQB-SNVBAGLBSA-N 0 0 195.237 1.675 10 0 ADAERN CC(C)Cn1c(C[NH3+])nnc1C(C)C 74241091 571808145 /nfs/dbraw/zinc/80/81/45/571808145.db2.gz QZGLWZOOWBYQJK-UHFFFAOYSA-N 0 0 196.298 1.516 10 0 ADAERN C/C=C/CCNC(=O)[C@]12COC[C@H]1C2 689184496 571808206 /nfs/dbraw/zinc/80/82/06/571808206.db2.gz YDMHRKTZKYCQHY-ONKIFHLLSA-N 0 0 195.262 1.105 10 0 ADAERN COC(=O)C=CN[C@H](C)C1CCCC1 234589510 571808266 /nfs/dbraw/zinc/80/82/66/571808266.db2.gz PPOVWCKYNQJWEX-FCZSHJHJSA-N 0 0 197.278 1.841 10 0 ADAERN C/C=C\n1cccc1 34835798 571808335 /nfs/dbraw/zinc/80/83/35/571808335.db2.gz FXWBVPHFFCAGCZ-DJWKRKHSSA-N 0 0 107.156 1.979 10 0 ADAERN CCCn1c(C[NH3+])nnc1C(C)(C)C 74241085 571808340 /nfs/dbraw/zinc/80/83/40/571808340.db2.gz DZDAJJOQHMIOIL-UHFFFAOYSA-N 0 0 196.298 1.444 10 0 ADAERN COC[C@@]1(C2CC2)[C@@H](CO)C1(C)C 301025384 571808350 /nfs/dbraw/zinc/80/83/50/571808350.db2.gz RRFKBJZHHWRIHN-GXSJLCMTSA-N 0 0 184.279 1.678 10 0 ADAERN Cn1ccc2ncc(C3(O)CC3)cc21 214518920 571808401 /nfs/dbraw/zinc/80/84/01/571808401.db2.gz YYQZFYRHCFITKS-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN Cc1c(Oc2ccccc2)no[n+]1[O-] 3165601 571808446 /nfs/dbraw/zinc/80/84/46/571808446.db2.gz OZYXPEOTTMCPMD-UHFFFAOYSA-N 0 0 192.174 1.409 10 0 ADAERN NC(=O)C[C@H](O)c1ccc(Cl)cc1 3164228 571808498 /nfs/dbraw/zinc/80/84/98/571808498.db2.gz HIMAPMKUYCCKBR-QMMMGPOBSA-N 0 0 199.637 1.249 10 0 ADAERN CCC[N@@H+]1CC[C@@H](CC(=O)[O-])C[C@@H]1C 73656006 571808640 /nfs/dbraw/zinc/80/86/40/571808640.db2.gz QIMBXBFKKBZERT-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CP(C)(=O)c1ccc(O)cc1 3165275 571808675 /nfs/dbraw/zinc/80/86/75/571808675.db2.gz ZYISJOKOKGHGCC-UHFFFAOYSA-N 0 0 170.148 1.640 10 0 ADAERN COCC(=O)[C@@H](O)C1CCCCC1 234592591 571808712 /nfs/dbraw/zinc/80/87/12/571808712.db2.gz BJNSCXQCUXCKHP-JTQLQIEISA-N 0 0 186.251 1.143 10 0 ADAERN CC[C@H]1COC[C@@]1(O)CC1CC1 710907075 571808726 /nfs/dbraw/zinc/80/87/26/571808726.db2.gz MZIPVDPRDAARNY-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN CC(=O)Cc1cnc2ccn(C)c2c1 214522227 571808777 /nfs/dbraw/zinc/80/87/77/571808777.db2.gz VOXVQAQKNIFFMX-UHFFFAOYSA-N 0 0 188.230 1.705 10 0 ADAERN CC[C@@H]1COC[C@@]1(O)Cc1ccoc1 710902130 571808889 /nfs/dbraw/zinc/80/88/89/571808889.db2.gz VPGGQQGDUQUQHS-MNOVXSKESA-N 0 0 196.246 1.610 10 0 ADAERN COC(=O)C=CN[C@H](C)C1CC1 234589438 571808895 /nfs/dbraw/zinc/80/88/95/571808895.db2.gz NATPCFDXDVAHQG-WEWAHIQMSA-N 0 0 169.224 1.061 10 0 ADAERN NC(=O)C[C@@H](O)c1ccc(Cl)cc1 3164226 571808908 /nfs/dbraw/zinc/80/89/08/571808908.db2.gz HIMAPMKUYCCKBR-MRVPVSSYSA-N 0 0 199.637 1.249 10 0 ADAERN COC(=O)C=CN[C@H](C)C1CCC1 234589473 571808937 /nfs/dbraw/zinc/80/89/37/571808937.db2.gz AKUMEJKSKCWEOH-HYDMIIDASA-N 0 0 183.251 1.451 10 0 ADAERN Cc1nc2ccccn2c1C1(O)CC1 214518994 571810117 /nfs/dbraw/zinc/81/01/17/571810117.db2.gz WQPHVJOVEGPHQX-UHFFFAOYSA-N 0 0 188.230 1.624 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H](C)C(=O)OC 251238346 571808954 /nfs/dbraw/zinc/80/89/54/571808954.db2.gz AGDULTHGPMGRNM-CIUDSAMLSA-N 0 0 188.267 1.593 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@H](C)C(=O)OC 251238349 571808999 /nfs/dbraw/zinc/80/89/99/571808999.db2.gz AGDULTHGPMGRNM-XHNCKOQMSA-N 0 0 188.267 1.593 10 0 ADAERN CCN(CC)c1nc(N)cc(F)n1 3164624 571809056 /nfs/dbraw/zinc/80/90/56/571809056.db2.gz BTZZODCZUITFGM-UHFFFAOYSA-N 0 0 184.218 1.044 10 0 ADAERN C[C@@H](CCC(=O)[O-])[N@H+](C)[C@H](C)C1CC1 251226553 571809038 /nfs/dbraw/zinc/80/90/38/571809038.db2.gz PJHCQWWZCFVRCF-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN CCC[N@@H+]1CC[C@H](CC(=O)[O-])C[C@@H]1C 73656002 571809040 /nfs/dbraw/zinc/80/90/40/571809040.db2.gz QIMBXBFKKBZERT-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CCSc1cncc(C(N)=S)n1 3133932 571809259 /nfs/dbraw/zinc/80/92/59/571809259.db2.gz DWWBLEKLRXFNTN-UHFFFAOYSA-N 0 0 199.304 1.223 10 0 ADAERN CCOC(=O)[C@H](CC(C)C)N(C)C 113291245 571809304 /nfs/dbraw/zinc/80/93/04/571809304.db2.gz YIKWWZFQTKVPET-VIFPVBQESA-N 0 0 187.283 1.526 10 0 ADAERN CC[C@@H]([NH3+])C(=O)Cc1cccc(F)c1 74244586 571809317 /nfs/dbraw/zinc/80/93/17/571809317.db2.gz LOBFQRSOMQEKDB-SNVBAGLBSA-N 0 0 195.237 1.675 10 0 ADAERN CC[C@H]([NH3+])C(=O)Cc1cccc(F)c1 74244584 571809424 /nfs/dbraw/zinc/80/94/24/571809424.db2.gz LOBFQRSOMQEKDB-JTQLQIEISA-N 0 0 195.237 1.675 10 0 ADAERN Cn1nc(-c2ccc(N)cc2)cc1N 3179210 571809411 /nfs/dbraw/zinc/80/94/11/571809411.db2.gz DFPMWZKMXMYURU-UHFFFAOYSA-N 0 0 188.234 1.252 10 0 ADAERN CCC(CC)[N@@H+]1CCC[C@H](C(=O)[O-])C1 74214789 571809412 /nfs/dbraw/zinc/80/94/12/571809412.db2.gz YXUTXRJWUFXCOJ-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CNC(=S)Nc1ncc(C)s1 3210886 571809474 /nfs/dbraw/zinc/80/94/74/571809474.db2.gz UBYYVTBWIBMBQO-UHFFFAOYSA-N 0 0 187.293 1.368 10 0 ADAERN COC(=O)C1=C(C)CCC=C1 38292471 571809482 /nfs/dbraw/zinc/80/94/82/571809482.db2.gz XPEFTNCMWXJTNW-UHFFFAOYSA-N 0 0 152.193 1.826 10 0 ADAERN Cc1nc(C=O)nc2ccc(O)cc12 214513909 571809491 /nfs/dbraw/zinc/80/94/91/571809491.db2.gz DXIJQEISZHRXBH-UHFFFAOYSA-N 0 0 188.186 1.456 10 0 ADAERN Clc1ccn2nncc2c1 34773652 571809494 /nfs/dbraw/zinc/80/94/94/571809494.db2.gz FYVYNORRNWRANR-UHFFFAOYSA-N 0 0 153.572 1.383 10 0 ADAERN COC(=O)C=CN[C@H](C)C(C)(C)C 234589366 571809503 /nfs/dbraw/zinc/80/95/03/571809503.db2.gz RARAWKSGORSPBU-HYDMIIDASA-N 0 0 185.267 1.697 10 0 ADAERN CCOC(=O)NCCn1cccc1 74799400 571811834 /nfs/dbraw/zinc/81/18/34/571811834.db2.gz MDVYVLARKMBCEQ-UHFFFAOYSA-N 0 0 182.223 1.234 10 0 ADAERN O=C1CSC=C(c2ccccc2)N1 3203582 571809514 /nfs/dbraw/zinc/80/95/14/571809514.db2.gz VXZOJAZKBAYVTA-UHFFFAOYSA-N 0 0 191.255 1.848 10 0 ADAERN CC(C)Cn1[nH]c(=O)c2c1CCCC2 143448187 571809591 /nfs/dbraw/zinc/80/95/91/571809591.db2.gz OFYKNVIIOZMICO-UHFFFAOYSA-N 0 0 194.278 1.711 10 0 ADAERN Cn1cc2cccc(-c3ncc[nH]3)c2n1 76188875 571809597 /nfs/dbraw/zinc/80/95/97/571809597.db2.gz MCQSAUSIOFVTNP-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CC(C)CNC(=O)Cn1cccc1 74694022 571809685 /nfs/dbraw/zinc/80/96/85/571809685.db2.gz XFZAABTWKCDXGU-UHFFFAOYSA-N 0 0 180.251 1.260 10 0 ADAERN Cc1cccc2c(=O)[nH]c(C=O)nc12 214514308 571809761 /nfs/dbraw/zinc/80/97/61/571809761.db2.gz JKQYQJUDFHKLJK-UHFFFAOYSA-N 0 0 188.186 1.044 10 0 ADAERN COC(=O)C=CN[C@H](C)c1ccco1 234592258 571809775 /nfs/dbraw/zinc/80/97/75/571809775.db2.gz BAJANIOINCGVPV-HQZHTGGTSA-N 0 0 195.218 1.617 10 0 ADAERN Cc1nc(=O)c2ccccc2o1 3170745 571809824 /nfs/dbraw/zinc/80/98/24/571809824.db2.gz PUJVUAVCIBLBSY-UHFFFAOYSA-N 0 0 161.160 1.496 10 0 ADAERN CC(C)CCCCNS(C)(=O)=O 74600217 571809839 /nfs/dbraw/zinc/80/98/39/571809839.db2.gz XTQWLRURNANOGQ-UHFFFAOYSA-N 0 0 193.312 1.362 10 0 ADAERN CC[C@H]1COC[C@]1(O)Cc1ccoc1 710902132 571809867 /nfs/dbraw/zinc/80/98/67/571809867.db2.gz VPGGQQGDUQUQHS-WDEREUQCSA-N 0 0 196.246 1.610 10 0 ADAERN C[C@H](C[NH2+]CC(=O)[O-])c1ccccc1 34959438 571809996 /nfs/dbraw/zinc/80/99/96/571809996.db2.gz MFEQJJZRXBXZDQ-SECBINFHSA-N 0 0 193.246 1.464 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 3201484 571810007 /nfs/dbraw/zinc/81/00/07/571810007.db2.gz AJENGVZEIVIXKF-BIIVOSGPSA-N 0 0 140.182 1.143 10 0 ADAERN CCCCNC(=O)Cc1ccc[nH]1 74701040 571810187 /nfs/dbraw/zinc/81/01/87/571810187.db2.gz NPHQUTHXLYZRFN-UHFFFAOYSA-N 0 0 180.251 1.474 10 0 ADAERN CC[C@H]1COC[C@]1(O)CC1CC1 710907113 571810229 /nfs/dbraw/zinc/81/02/29/571810229.db2.gz MZIPVDPRDAARNY-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN CC(=O)C1=C(O)C[C@H]2[C@@H]1C2(C)C 3171771 571810236 /nfs/dbraw/zinc/81/02/36/571810236.db2.gz ZKFJGRHXSHIXQG-XVYDVKMFSA-N 0 0 166.220 1.437 10 0 ADAERN CCOc1cc(CC(C)=O)ccc1O 2558096 571810285 /nfs/dbraw/zinc/81/02/85/571810285.db2.gz DLVIKUOOFQYPBE-UHFFFAOYSA-N 0 0 194.230 1.922 10 0 ADAERN CC[NH+](CC)[C@@H]1CC[C@@H](C(=O)[O-])C1 74281306 571810314 /nfs/dbraw/zinc/81/03/14/571810314.db2.gz PIXFDLHQNFZPIC-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CC[N@@H+]1CC[C@@H]1CNc1ccccn1 712560525 571810335 /nfs/dbraw/zinc/81/03/35/571810335.db2.gz FECJKEWIMVHRRT-SNVBAGLBSA-N 0 0 191.278 1.588 10 0 ADAERN CC[C@H](C(C)C)[N@H+](C)CC(=O)[O-] 74309504 571810453 /nfs/dbraw/zinc/81/04/53/571810453.db2.gz MFCYSAJUVOWAMK-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN CC[NH+](CC)[C@@H]1CC[C@H](C(=O)[O-])C1 74281302 571810615 /nfs/dbraw/zinc/81/06/15/571810615.db2.gz PIXFDLHQNFZPIC-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H](C1CCCC1)[N@H+](C)CC(=O)[O-] 74281223 571810635 /nfs/dbraw/zinc/81/06/35/571810635.db2.gz BGOQZHOQABQMDZ-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN C=CC(=O)NCC(=O)c1ccccc1 113287727 571810684 /nfs/dbraw/zinc/81/06/84/571810684.db2.gz KTXQYHHJPQVISI-UHFFFAOYSA-N 0 0 189.214 1.172 10 0 ADAERN CC[NH+](CC)[C@H]1CC[C@@H](C(=O)[O-])C1 74281307 571810686 /nfs/dbraw/zinc/81/06/86/571810686.db2.gz PIXFDLHQNFZPIC-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCCCNC(=O)Cn1cccc1 74694021 571810697 /nfs/dbraw/zinc/81/06/97/571810697.db2.gz LTWOYVCXOXJXPC-UHFFFAOYSA-N 0 0 180.251 1.404 10 0 ADAERN COCCCCNc1cc(C)cnn1 234595408 571810734 /nfs/dbraw/zinc/81/07/34/571810734.db2.gz XUFYHVWEWYMDQB-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN CCCC(C)(C)C(=O)NC(N)=O 3635618 571810926 /nfs/dbraw/zinc/81/09/26/571810926.db2.gz GKFQYYGALVVKKQ-UHFFFAOYSA-N 0 0 172.228 1.008 10 0 ADAERN CCN(CC)C(=O)CCc1ccc[nH]1 74682371 571810944 /nfs/dbraw/zinc/81/09/44/571810944.db2.gz UWHHWEURTXETDV-UHFFFAOYSA-N 0 0 194.278 1.816 10 0 ADAERN CC(C)[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1 74310472 571810953 /nfs/dbraw/zinc/81/09/53/571810953.db2.gz WOQRXEWLPJYRPZ-JGVFFNPUSA-N 0 0 171.240 1.238 10 0 ADAERN COCCCc1nc(C)cc(=S)[nH]1 234603049 571810961 /nfs/dbraw/zinc/81/09/61/571810961.db2.gz XDIJYPNSRVSSGH-UHFFFAOYSA-N 0 0 198.291 1.653 10 0 ADAERN CC(C)(C)n1cncn1 3593984 571811155 /nfs/dbraw/zinc/81/11/55/571811155.db2.gz RMEWUNSSPFOXLH-UHFFFAOYSA-N 0 0 125.175 1.033 10 0 ADAERN CCOC(=O)CCc1ccncc1N 143410995 571811171 /nfs/dbraw/zinc/81/11/71/571811171.db2.gz YZDYDOAINZMVJQ-UHFFFAOYSA-N 0 0 194.234 1.160 10 0 ADAERN CC(=O)C1(Cc2cc(C)n(C)n2)CC1 710913540 571811176 /nfs/dbraw/zinc/81/11/76/571811176.db2.gz CFVDKCWOSPVIMV-UHFFFAOYSA-N 0 0 192.262 1.640 10 0 ADAERN CCCCNC(=O)c1ccno1 74713485 571811220 /nfs/dbraw/zinc/81/12/20/571811220.db2.gz IBEXJWMPLWKBKA-UHFFFAOYSA-N 0 0 168.196 1.205 10 0 ADAERN CCCCCn1cnc(CO)c1 38301594 571811244 /nfs/dbraw/zinc/81/12/44/571811244.db2.gz JXZOKATUTIRQJI-UHFFFAOYSA-N 0 0 168.240 1.566 10 0 ADAERN CCOC(=O)NCc1oc(C)nc1C 74792185 571811322 /nfs/dbraw/zinc/81/13/22/571811322.db2.gz JGTWBYJUWGXFNP-UHFFFAOYSA-N 0 0 198.222 1.538 10 0 ADAERN CC[N@@H+]1CC[C@H]1CNc1ccccn1 712560523 571811431 /nfs/dbraw/zinc/81/14/31/571811431.db2.gz FECJKEWIMVHRRT-JTQLQIEISA-N 0 0 191.278 1.588 10 0 ADAERN C[C@@H](C1CCCC1)[N@H+](C)CC(=O)[O-] 74281221 571811475 /nfs/dbraw/zinc/81/14/75/571811475.db2.gz BGOQZHOQABQMDZ-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN COCC(=O)CC1(OC)CCC1 234601661 571811528 /nfs/dbraw/zinc/81/15/28/571811528.db2.gz UWLJKWLEOHYDPA-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN CCN(CC)C(=O)c1nc(C)cs1 74720524 571811565 /nfs/dbraw/zinc/81/15/65/571811565.db2.gz NHQJLUMZANTHNN-UHFFFAOYSA-N 0 0 198.291 1.934 10 0 ADAERN COCCOc1cc(F)ccc1C=O 200027318 571811734 /nfs/dbraw/zinc/81/17/34/571811734.db2.gz WITWMXOXSXAYIC-UHFFFAOYSA-N 0 0 198.193 1.663 10 0 ADAERN CC[NH+](CC)[C@H]1CC[C@H](C(=O)[O-])C1 74281304 571811785 /nfs/dbraw/zinc/81/17/85/571811785.db2.gz PIXFDLHQNFZPIC-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CCc1ccnn1-c1ncccc1N 214524374 571811794 /nfs/dbraw/zinc/81/17/94/571811794.db2.gz KGQCQXRXKXFPJO-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CC[C@@H](C(C)C)[N@H+](C)CC(=O)[O-] 74309503 571811797 /nfs/dbraw/zinc/81/17/97/571811797.db2.gz MFCYSAJUVOWAMK-QMMMGPOBSA-N 0 0 173.256 1.437 10 0 ADAERN CCc1ccnn1-c1ccc(N)cn1 214524054 571811884 /nfs/dbraw/zinc/81/18/84/571811884.db2.gz PXYRQIDCWXIMLS-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CN(C(N)=O)C(=O)Nc1ccccc1 3636864 571811892 /nfs/dbraw/zinc/81/18/92/571811892.db2.gz OZCUWXMMPDEUTJ-UHFFFAOYSA-N 0 0 193.206 1.229 10 0 ADAERN Cc1cc(C)n2ncc(Cl)c2n1 3629891 571812012 /nfs/dbraw/zinc/81/20/12/571812012.db2.gz YLZFCFRWCZJDSQ-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN CCC(C)C=O 113290900 571812062 /nfs/dbraw/zinc/81/20/62/571812062.db2.gz RLOISEUPMPOJMI-SNAWJCMRSA-N 0 0 86.134 1.858 10 0 ADAERN CCN(CC)C(=O)Cc1ccc[nH]1 74701195 571812079 /nfs/dbraw/zinc/81/20/79/571812079.db2.gz VFSDMWPYXWIFSH-UHFFFAOYSA-N 0 0 180.251 1.426 10 0 ADAERN CC[C@@H](C)NC(=O)Cn1cccc1 74694023 571812148 /nfs/dbraw/zinc/81/21/48/571812148.db2.gz LYNAEIOURQGBSX-SECBINFHSA-N 0 0 180.251 1.403 10 0 ADAERN NC(=O)N1Cc2ccccc2OC1=O 3631069 571812169 /nfs/dbraw/zinc/81/21/69/571812169.db2.gz KSFQRTUMPUMUJN-UHFFFAOYSA-N 0 0 192.174 1.080 10 0 ADAERN CC(C)CCC(CO)CO 3612781 571812192 /nfs/dbraw/zinc/81/21/92/571812192.db2.gz VWQPAMYYOLDISD-UHFFFAOYSA-N 0 0 146.230 1.023 10 0 ADAERN C[C@H](CCC(=O)[O-])[N@H+](C)[C@H](C)C1CC1 251226557 571812346 /nfs/dbraw/zinc/81/23/46/571812346.db2.gz PJHCQWWZCFVRCF-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN COCCCCNc1nc(C)no1 234599028 571812457 /nfs/dbraw/zinc/81/24/57/571812457.db2.gz FEJWEVVLFFQRFG-UHFFFAOYSA-N 0 0 185.227 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/nfs/dbraw/zinc/81/44/40/571814440.db2.gz SCIRNFWVWBERFO-JTQLQIEISA-N 0 0 190.283 1.589 10 0 ADAERN Cc1ccn2c1[C@@H](O)CC2 3628640 571813807 /nfs/dbraw/zinc/81/38/07/571813807.db2.gz PWKFUIKIRBWTLB-ZETCQYMHSA-N 0 0 137.182 1.234 10 0 ADAERN COC(=O)/C=C/Sc1nc(C)co1 234602830 571813564 /nfs/dbraw/zinc/81/35/64/571813564.db2.gz VTDDVKZWXIDRHT-ONEGZZNKSA-N 0 0 199.231 1.762 10 0 ADAERN Nc1ccnc(-c2ccncc2F)c1 157499051 571813812 /nfs/dbraw/zinc/81/38/12/571813812.db2.gz XHOCGISCOJFMHK-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]1C 37911320 571813874 /nfs/dbraw/zinc/81/38/74/571813874.db2.gz SMYQZANUIZDCFR-BDAKNGLRSA-N 0 0 185.267 1.580 10 0 ADAERN COC[C@]1(C(C)C)[C@@H](CO)C1(C)C 301026605 571813944 /nfs/dbraw/zinc/81/39/44/571813944.db2.gz SEHKRXCAZZMEIP-ONGXEEELSA-N 0 0 186.295 1.924 10 0 ADAERN Cc1ncn(Cc2nc[nH]c2C)c1C 687802098 571814007 /nfs/dbraw/zinc/81/40/07/571814007.db2.gz UAKGQPBWZVCGDP-UHFFFAOYSA-N 0 0 190.250 1.580 10 0 ADAERN 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/nfs/dbraw/zinc/81/96/77/571819677.db2.gz HNLDOUPSVNFDAZ-CBAPKCEASA-N 0 0 176.219 1.633 10 0 ADAERN CCC[NH2+][C@](CC)(C(=O)[O-])C1CC1 84877368 571819684 /nfs/dbraw/zinc/81/96/84/571819684.db2.gz NFDQMMSZNQMXMP-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN Cc1c(C=O)ssc1=O 39060425 571819687 /nfs/dbraw/zinc/81/96/87/571819687.db2.gz OJVYEQMVGRTUFM-UHFFFAOYSA-N 0 0 160.219 1.291 10 0 ADAERN COC1(CNCC(F)F)CCC1 234617553 571819709 /nfs/dbraw/zinc/81/97/09/571819709.db2.gz KCXHYMIBFDUSGN-UHFFFAOYSA-N 0 0 179.210 1.410 10 0 ADAERN CC(C)(C)[C@H]1COC[C@H]1O 143552990 571819771 /nfs/dbraw/zinc/81/97/71/571819771.db2.gz XFLXEOMZEDRCMR-NKWVEPMBSA-N 0 0 144.214 1.040 10 0 ADAERN COCCCC[C@@H]1COCC[C@H]1O 234610946 571819792 /nfs/dbraw/zinc/81/97/92/571819792.db2.gz QRXWKIHLBYDMEW-NXEZZACHSA-N 0 0 188.267 1.201 10 0 ADAERN CCc1c(O)cc2ccccn2c1=O 3957942 571819817 /nfs/dbraw/zinc/81/98/17/571819817.db2.gz FYUCZWWHKUPTSJ-UHFFFAOYSA-N 0 0 189.214 1.568 10 0 ADAERN CC[C@@H](NN)c1cncc(OC)c1C 687654325 571819821 /nfs/dbraw/zinc/81/98/21/571819821.db2.gz MOWQCDJCMRXWBD-SECBINFHSA-N 0 0 195.266 1.313 10 0 ADAERN COC(C)(C)C[C@@H]1OCC[C@H]1CO 234617503 571820114 /nfs/dbraw/zinc/82/01/14/571820114.db2.gz YDZXNTTUPIVKFK-IUCAKERBSA-N 0 0 188.267 1.199 10 0 ADAERN CCC(=O)NCCc1cc(C)no1 77122286 571820134 /nfs/dbraw/zinc/82/01/34/571820134.db2.gz MDAHYFNMHSFIGU-UHFFFAOYSA-N 0 0 182.223 1.052 10 0 ADAERN COCC(=O)N(C)c1cccc(O)c1 234610724 571820194 /nfs/dbraw/zinc/82/01/94/571820194.db2.gz CASUXSDFEOCKPQ-UHFFFAOYSA-N 0 0 195.218 1.001 10 0 ADAERN C[C@@H](CC(F)F)C[C@H](O)CCCO 687831232 571820221 /nfs/dbraw/zinc/82/02/21/571820221.db2.gz HCKOXZSORLYVIA-HTQZYQBOSA-N 0 0 196.237 1.801 10 0 ADAERN CCCCOC(=O)[C@H]1C[C@@H](C)CCN1 75601381 571820252 /nfs/dbraw/zinc/82/02/52/571820252.db2.gz DLSFRVJUZMXRJG-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN COCCCNc1cc(C)cnn1 234621279 571820270 /nfs/dbraw/zinc/82/02/70/571820270.db2.gz QCHGXWAETPVXQJ-UHFFFAOYSA-N 0 0 181.239 1.233 10 0 ADAERN 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/nfs/dbraw/zinc/82/99/03/571829903.db2.gz RASUNTWIEREJLM-SCZZXKLOSA-N 0 0 199.294 1.826 10 0 ADAERN C[C@@H]1Cc2cc3c(cc2C=N1)OCO3 4777739 571829924 /nfs/dbraw/zinc/82/99/24/571829924.db2.gz GJYMGPVIFSJHGS-SSDOTTSWSA-N 0 0 189.214 1.779 10 0 ADAERN CCc1ncnc(-n2cccn2)c1F 234216148 571829942 /nfs/dbraw/zinc/82/99/42/571829942.db2.gz VAYYJVKZURBBIC-UHFFFAOYSA-N 0 0 192.197 1.364 10 0 ADAERN CCn1ccc(OC)c1C=O 39062442 571829978 /nfs/dbraw/zinc/82/99/78/571829978.db2.gz HIJWXNZARKQOIY-UHFFFAOYSA-N 0 0 153.181 1.329 10 0 ADAERN COC1(C[C@@H](NN)C(C)C)CCC1 234628365 571830024 /nfs/dbraw/zinc/83/00/24/571830024.db2.gz QCAHPMRYXSBEAX-SECBINFHSA-N 0 0 186.299 1.434 10 0 ADAERN COCCC[C@H](O)[C@@H]1CC1(C)C 234629150 571830057 /nfs/dbraw/zinc/83/00/57/571830057.db2.gz IKRCXYKVLXYXEO-IUCAKERBSA-N 0 0 172.268 1.820 10 0 ADAERN COCCC[C@@H](O)c1ccc(N)cc1 234630660 571830077 /nfs/dbraw/zinc/83/00/77/571830077.db2.gz IDFBODDYUUWFLZ-LLVKDONJSA-N 0 0 195.262 1.729 10 0 ADAERN CCCCC(=O)CC[C@@H](C)O 39411192 571830099 /nfs/dbraw/zinc/83/00/99/571830099.db2.gz PCDQZCZKEJYIOE-MRVPVSSYSA-N 0 0 158.241 1.907 10 0 ADAERN CC(C)[C@H](C)[N@H+](C)[C@H](C)CC(=O)[O-] 252407874 571833253 /nfs/dbraw/zinc/83/32/53/571833253.db2.gz IEOOPAVVXUZSSJ-BDAKNGLRSA-N 0 0 187.283 1.826 10 0 ADAERN O=c1[nH][nH]c2c1CCCCCC2 4962239 571830158 /nfs/dbraw/zinc/83/01/58/571830158.db2.gz WFCPAAMZZQCTAA-UHFFFAOYSA-N 0 0 166.224 1.774 10 0 ADAERN CCC[C@@H](C)[N@H+](C)[C@H](CC)C(=O)[O-] 252424091 571830170 /nfs/dbraw/zinc/83/01/70/571830170.db2.gz DXKJKZMILLATLK-RKDXNWHRSA-N 0 0 187.283 1.970 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@H+](C)[C@H](C)C(C)C 252426054 571830221 /nfs/dbraw/zinc/83/02/21/571830221.db2.gz RVLSCUWDFLHUIR-BDAKNGLRSA-N 0 0 187.283 1.826 10 0 ADAERN COCCC[C@@H](O)[C@@H](O)C(C)(C)C 234627905 571830223 /nfs/dbraw/zinc/83/02/23/571830223.db2.gz OQNKSXDCDWBHMR-RKDXNWHRSA-N 0 0 190.283 1.181 10 0 ADAERN CC[C@H](CCCCCO)[C@H](C)O 77923893 571830239 /nfs/dbraw/zinc/83/02/39/571830239.db2.gz MICKMYQMYUJHCZ-VHSXEESVSA-N 0 0 174.284 1.946 10 0 ADAERN CCCC[C@H]1C[NH2+]C[C@H]1C(=O)[O-] 77862906 571830287 /nfs/dbraw/zinc/83/02/87/571830287.db2.gz JBOLDQKTYHLWIA-JGVFFNPUSA-N 0 0 171.240 1.097 10 0 ADAERN OCC[C@H](CO)Cc1ccccc1 39646473 571830331 /nfs/dbraw/zinc/83/03/31/571830331.db2.gz MZSIQTVSNURLNU-NSHDSACASA-N 0 0 180.247 1.220 10 0 ADAERN CC[C@@H](CCCCCO)[C@@H](C)O 77923888 571830333 /nfs/dbraw/zinc/83/03/33/571830333.db2.gz MICKMYQMYUJHCZ-ZJUUUORDSA-N 0 0 174.284 1.946 10 0 ADAERN CCO[C@@H](CC)[C@H](N)C(F)(F)F 686224871 571830389 /nfs/dbraw/zinc/83/03/89/571830389.db2.gz LSOHLFMXURNEEG-WDSKDSINSA-N 0 0 185.189 1.691 10 0 ADAERN COC[C@H](C)[C@](C)(O)[C@H](C)OC 687722902 571830400 /nfs/dbraw/zinc/83/04/00/571830400.db2.gz LGLANFUNBDUPFC-CIUDSAMLSA-N 0 0 176.256 1.055 10 0 ADAERN S=c1cc[nH]c2nn[nH]c12 5086379 571833266 /nfs/dbraw/zinc/83/32/66/571833266.db2.gz VEEAHUHFJNMBGA-UHFFFAOYSA-N 0 0 152.182 1.015 10 0 ADAERN COC[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]21 687802864 571830433 /nfs/dbraw/zinc/83/04/33/571830433.db2.gz TZAJANLWCZUJHB-IVZWLZJFSA-N 0 0 197.278 1.422 10 0 ADAERN COCCC[C@H](O)[C@H]1CC1(C)C 234629710 571830441 /nfs/dbraw/zinc/83/04/41/571830441.db2.gz IKRCXYKVLXYXEO-BDAKNGLRSA-N 0 0 172.268 1.820 10 0 ADAERN COCCN(C)c1cccc(C)c1N 234626977 571830547 /nfs/dbraw/zinc/83/05/47/571830547.db2.gz CYPWJWZVXHZPRL-UHFFFAOYSA-N 0 0 194.278 1.660 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](C)[C@H](C)C1CC1 252425885 571833383 /nfs/dbraw/zinc/83/33/83/571833383.db2.gz QSNLTISTJQRWKC-VXNVDRBHSA-N 0 0 185.267 1.580 10 0 ADAERN CCC[C@H](C)[N@H+](C)[C@H](C)C(=O)[O-] 252419735 571830857 /nfs/dbraw/zinc/83/08/57/571830857.db2.gz WSJDOEKNFFOGTA-JGVFFNPUSA-N 0 0 173.256 1.580 10 0 ADAERN COC(C)(C)[C@@H](C)NCC(F)(F)F 301033796 571830912 /nfs/dbraw/zinc/83/09/12/571830912.db2.gz WBCZOAFURNFDOE-ZCFIWIBFSA-N 0 0 199.216 1.952 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](C)[C@H](C)C(C)C 252426055 571830916 /nfs/dbraw/zinc/83/09/16/571830916.db2.gz RVLSCUWDFLHUIR-RKDXNWHRSA-N 0 0 187.283 1.826 10 0 ADAERN COC[C@H](C)[C@@](C)(O)[C@@H](C)OC 687722903 571830998 /nfs/dbraw/zinc/83/09/98/571830998.db2.gz LGLANFUNBDUPFC-DJLDLDEBSA-N 0 0 176.256 1.055 10 0 ADAERN COC(C)(C)[C@H](C)NCC(F)(F)F 301033795 571831006 /nfs/dbraw/zinc/83/10/06/571831006.db2.gz WBCZOAFURNFDOE-LURJTMIESA-N 0 0 199.216 1.952 10 0 ADAERN C/C=C1\C=C[C@@H]2[NH2+]CC[C@@H]3O[C@]123 5132642 571831007 /nfs/dbraw/zinc/83/10/07/571831007.db2.gz XFDNFSFFQFVZGJ-AMPBFVJTSA-N 0 0 163.220 1.002 10 0 ADAERN O=C1[C@H]2CCC[C@@H]2N1CCCCCO 687802902 571831057 /nfs/dbraw/zinc/83/10/57/571831057.db2.gz QULZISGZBNXTJM-UWVGGRQHSA-N 0 0 197.278 1.160 10 0 ADAERN C[C@H](O)c1ccsc1C=O 39062872 571831143 /nfs/dbraw/zinc/83/11/43/571831143.db2.gz ABSSRLRXHDWFRI-YFKPBYRVSA-N 0 0 156.206 1.614 10 0 ADAERN CC[C@H](C)[N@H+](C)[C@H](CC)C(=O)[O-] 252423742 571831158 /nfs/dbraw/zinc/83/11/58/571831158.db2.gz BFUSOSXZUDDBAW-JGVFFNPUSA-N 0 0 173.256 1.580 10 0 ADAERN CCC[C@H](C)[N@H+](C)[C@H](C)CC(=O)[O-] 252408127 571831276 /nfs/dbraw/zinc/83/12/76/571831276.db2.gz IKLNCUCQPJZRPD-DTWKUNHWSA-N 0 0 187.283 1.970 10 0 ADAERN O=C1[C@H]2CC[C@H]2C(=O)[C@@H]2CC[C@@H]12 5134564 571831281 /nfs/dbraw/zinc/83/12/81/571831281.db2.gz XVOUTQMRFQTWOB-XUTVFYLZSA-N 0 0 164.204 1.191 10 0 ADAERN CC(C)[C@@H](O)[C@H](C)CCCO 78043272 571831302 /nfs/dbraw/zinc/83/13/02/571831302.db2.gz LLKBPGJBMCZHHF-RKDXNWHRSA-N 0 0 160.257 1.412 10 0 ADAERN CCCC[C@@H](C)[C@H](O)CCO 39420097 571831355 /nfs/dbraw/zinc/83/13/55/571831355.db2.gz FIGTVDZEVVVRSM-RKDXNWHRSA-N 0 0 160.257 1.556 10 0 ADAERN CC[C@H]1C[C@H](C)N(C=O)C1 39060883 571831359 /nfs/dbraw/zinc/83/13/59/571831359.db2.gz BQSBOCPTKHIZJO-YUMQZZPRSA-N 0 0 141.214 1.263 10 0 ADAERN CC(C)[C@@H](C)[N@H+](C)[C@H](C)CC(=O)[O-] 252407875 571831363 /nfs/dbraw/zinc/83/13/63/571831363.db2.gz IEOOPAVVXUZSSJ-RKDXNWHRSA-N 0 0 187.283 1.826 10 0 ADAERN C[C@H](CC(F)F)C[C@H](O)[C@@H](C)O 687834179 571831368 /nfs/dbraw/zinc/83/13/68/571831368.db2.gz JEIYCZQDAGNYSR-XVMARJQXSA-N 0 0 182.210 1.410 10 0 ADAERN COCCCN1C(=O)[C@H]2CCCC[C@@H]21 687802920 571831370 /nfs/dbraw/zinc/83/13/70/571831370.db2.gz NQVVWFWIQVAFTI-UWVGGRQHSA-N 0 0 197.278 1.424 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@H+](C)[C@H](C)C1CC1 252415274 571831372 /nfs/dbraw/zinc/83/13/72/571831372.db2.gz RASUNTWIEREJLM-PSASIEDQSA-N 0 0 199.294 1.826 10 0 ADAERN C[C@@]12CC[C@@H](C1)[C@H](O)CC2 5046244 571831388 /nfs/dbraw/zinc/83/13/88/571831388.db2.gz ZKZMBMLVFGZNSN-YIZRAAEISA-N 0 0 140.226 1.948 10 0 ADAERN CCCC(=O)CCC[C@@H](C)O 78510408 571831395 /nfs/dbraw/zinc/83/13/95/571831395.db2.gz AKCUEVUZZIJVRM-MRVPVSSYSA-N 0 0 158.241 1.907 10 0 ADAERN Cc1cc2ccccc2n1C=O 39063416 571831399 /nfs/dbraw/zinc/83/13/99/571831399.db2.gz FUDGOBPKIHUXCU-UHFFFAOYSA-N 0 0 159.188 1.988 10 0 ADAERN C[C@H]1NC(=O)N[C@@H]1Cc1ccccc1 206371824 571831415 /nfs/dbraw/zinc/83/14/15/571831415.db2.gz ZXXWRLWFIKMASS-PSASIEDQSA-N 0 0 190.246 1.299 10 0 ADAERN CCC[C@@H](C)[N@H+](C)[C@H](C)CC(=O)[O-] 252408128 571831448 /nfs/dbraw/zinc/83/14/48/571831448.db2.gz IKLNCUCQPJZRPD-RKDXNWHRSA-N 0 0 187.283 1.970 10 0 ADAERN C[C@@H]1CCC[N@H+]1[C@H](C)CCC(=O)[O-] 252151473 571832067 /nfs/dbraw/zinc/83/20/67/571832067.db2.gz MOJPWZKVSOMKJT-RKDXNWHRSA-N 0 0 185.267 1.724 10 0 ADAERN O=C1CCC23CCCC12C(=O)CC3 5133493 571831500 /nfs/dbraw/zinc/83/15/00/571831500.db2.gz AJSCTGYMIJHROB-UHFFFAOYSA-N 0 0 178.231 1.869 10 0 ADAERN C/C=C/[C@H](O)CC(C)C 5132901 571831542 /nfs/dbraw/zinc/83/15/42/571831542.db2.gz RQAFKZOPSRTJDU-ZJELKQJVSA-N 0 0 128.215 1.970 10 0 ADAERN c1cnc2c(c1)[C@H]1[C@H]3[C@@H]2C[C@H]31 196795911 571831571 /nfs/dbraw/zinc/83/15/71/571831571.db2.gz XLMYIQMIYWSFBP-RBXMUDONSA-N 0 0 143.189 1.912 10 0 ADAERN COC1(C[C@@H](C=C(C)C)NN)CCC1 234631556 571832072 /nfs/dbraw/zinc/83/20/72/571832072.db2.gz WBVIAWWJWHBRPT-SNVBAGLBSA-N 0 0 198.310 1.744 10 0 ADAERN COC1(C[C@H](NN)C(C)C)CCC1 234631521 571831606 /nfs/dbraw/zinc/83/16/06/571831606.db2.gz QCAHPMRYXSBEAX-VIFPVBQESA-N 0 0 186.299 1.434 10 0 ADAERN CC[C@@H](CCCCCO)[C@H](C)O 77923892 571831626 /nfs/dbraw/zinc/83/16/26/571831626.db2.gz MICKMYQMYUJHCZ-UWVGGRQHSA-N 0 0 174.284 1.946 10 0 ADAERN CC[C@@H](C)OC[C@H](O)C(C)(C)OC 301033593 571831644 /nfs/dbraw/zinc/83/16/44/571831644.db2.gz VZDCKOCSHURMSM-BDAKNGLRSA-N 0 0 190.283 1.587 10 0 ADAERN CC[C@H](CCCCCO)[C@@H](C)O 77923890 571831649 /nfs/dbraw/zinc/83/16/49/571831649.db2.gz MICKMYQMYUJHCZ-NXEZZACHSA-N 0 0 174.284 1.946 10 0 ADAERN O=C1[C@@H]2CCC[C@@H]2N1CCCCCO 687802904 571831679 /nfs/dbraw/zinc/83/16/79/571831679.db2.gz QULZISGZBNXTJM-ZJUUUORDSA-N 0 0 197.278 1.160 10 0 ADAERN C[C@H](CC(F)F)C[C@@H](O)[C@H](C)O 687834161 571831690 /nfs/dbraw/zinc/83/16/90/571831690.db2.gz JEIYCZQDAGNYSR-LYFYHCNISA-N 0 0 182.210 1.410 10 0 ADAERN C/C=C1\C=C[C@H]2[NH2+]CC[C@@H]3O[C@@]132 5132641 571831736 /nfs/dbraw/zinc/83/17/36/571831736.db2.gz XFDNFSFFQFVZGJ-IMJBKRJFSA-N 0 0 163.220 1.002 10 0 ADAERN OCC[C@@H]1CC1=C1CC1 5106076 571833202 /nfs/dbraw/zinc/83/32/02/571833202.db2.gz CQUNXQREZKJNHS-SSDOTTSWSA-N 0 0 124.183 1.479 10 0 ADAERN C[C@H]1NC(=O)N[C@H]1Cc1ccccc1 206371765 571831772 /nfs/dbraw/zinc/83/17/72/571831772.db2.gz ZXXWRLWFIKMASS-SCZZXKLOSA-N 0 0 190.246 1.299 10 0 ADAERN CC[C@@H](C)OC[C@@H](O)C(C)(C)OC 301033596 571831780 /nfs/dbraw/zinc/83/17/80/571831780.db2.gz VZDCKOCSHURMSM-RKDXNWHRSA-N 0 0 190.283 1.587 10 0 ADAERN C[C@H](NC1CCC1)C(=O)OC(C)(C)C 78068632 571831806 /nfs/dbraw/zinc/83/18/06/571831806.db2.gz ICWRYAVWCBTIRH-QMMMGPOBSA-N 0 0 199.294 1.859 10 0 ADAERN CC(C)[C@@H]1CO[C@]2(C)C=CC(=O)N12 4977269 571831909 /nfs/dbraw/zinc/83/19/09/571831909.db2.gz JOXQDNAGAGXGOK-WCBMZHEXSA-N 0 0 181.235 1.156 10 0 ADAERN C[C@@H](CCc1ccco1)[NH2+]CC(=O)[O-] 35234366 571831924 /nfs/dbraw/zinc/83/19/24/571831924.db2.gz IBUGVQBECBQEPE-QMMMGPOBSA-N 0 0 197.234 1.275 10 0 ADAERN C[C@H]1CCC[N@@H+]([C@H](C)CCC(=O)[O-])C1 252140491 571831935 /nfs/dbraw/zinc/83/19/35/571831935.db2.gz METPEXPYJFMKIP-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN 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ADAERN O=Cc1nccn1CCCC(F)F 687835252 571836736 /nfs/dbraw/zinc/83/67/36/571836736.db2.gz LBORPHKMPWJZLA-UHFFFAOYSA-N 0 0 188.177 1.741 10 0 ADAERN Cc1cn(C)c2cccc(CO)c12 38220601 571836600 /nfs/dbraw/zinc/83/66/00/571836600.db2.gz XNONROJCQJBBRP-UHFFFAOYSA-N 0 0 175.231 1.979 10 0 ADAERN CC[C@@H](C)[N@H+](CC)[C@H](C)CC(=O)[O-] 252447777 571836752 /nfs/dbraw/zinc/83/67/52/571836752.db2.gz OVIASTVRMXCHQI-RKDXNWHRSA-N 0 0 187.283 1.970 10 0 ADAERN CCOc1cc(N)cc(C)c1O 5139879 571836777 /nfs/dbraw/zinc/83/67/77/571836777.db2.gz JANNGSPAQYJDAH-UHFFFAOYSA-N 0 0 167.208 1.682 10 0 ADAERN CCn1cc([C@@H]2CC(=O)CCO2)cn1 234218225 571836795 /nfs/dbraw/zinc/83/67/95/571836795.db2.gz WSYBGGJYSRREEI-JTQLQIEISA-N 0 0 194.234 1.324 10 0 ADAERN CCn1cnc2c3nc[nH]c3ccc21 5285556 571836828 /nfs/dbraw/zinc/83/68/28/571836828.db2.gz BUSZVWJBKGZVJE-UHFFFAOYSA-N 0 0 186.218 1.933 10 0 ADAERN Cc1cc(OCCCO)c(N)cc1F 235761503 571836833 /nfs/dbraw/zinc/83/68/33/571836833.db2.gz WBGFCABUPOZTIA-UHFFFAOYSA-N 0 0 199.225 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571837365 /nfs/dbraw/zinc/83/73/65/571837365.db2.gz IYOFXKAUKCDZRT-JTQLQIEISA-N 0 0 178.187 1.065 10 0 ADAERN C[C@H]1C=C2CCC[C@H]2C(=O)N1 38234633 571837369 /nfs/dbraw/zinc/83/73/69/571837369.db2.gz RVLMWTROIIXZRC-POYBYMJQSA-N 0 0 151.209 1.231 10 0 ADAERN COCCC[C@]1(O)CCOC[C@@H]1C 301039297 571837387 /nfs/dbraw/zinc/83/73/87/571837387.db2.gz VMOZLZSBUCZDAB-UWVGGRQHSA-N 0 0 188.267 1.201 10 0 ADAERN COC[C@H]1c2ccc(C)cc2O[C@H]1O 38235018 571837391 /nfs/dbraw/zinc/83/73/91/571837391.db2.gz FSVKWIVPJZSVFM-GXSJLCMTSA-N 0 0 194.230 1.436 10 0 ADAERN COC(=O)[C@@H]1[C@@H](O)C[C@@H]2CCCC[C@H]21 38235200 571837398 /nfs/dbraw/zinc/83/73/98/571837398.db2.gz KGQOVCDANBJMMN-JXUBOQSCSA-N 0 0 198.262 1.347 10 0 ADAERN CO[C@H]1C=CCC[C@@H]1C(C)=O 38234019 571837470 /nfs/dbraw/zinc/83/74/70/571837470.db2.gz GIHBJJUPWNCWOY-BDAKNGLRSA-N 0 0 154.209 1.557 10 0 ADAERN C[C@@]12CCO[C@@H]1Oc1ccc(O)cc12 38212690 571837471 /nfs/dbraw/zinc/83/74/71/571837471.db2.gz AMEMXGMNMDBQGD-MNOVXSKESA-N 0 0 192.214 1.789 10 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/nfs/dbraw/zinc/84/31/55/571843155.db2.gz MEBNCQRMZVHURS-UHFFFAOYSA-N 0 0 198.266 1.124 10 0 ADAERN CC(C)(CO)[C@H](O)c1ccc(F)cc1 38350723 571843162 /nfs/dbraw/zinc/84/31/62/571843162.db2.gz HTAHOZZLTYPZRG-SNVBAGLBSA-N 0 0 198.237 1.878 10 0 ADAERN COCCOc1cccc(F)c1C=O 200032454 571843189 /nfs/dbraw/zinc/84/31/89/571843189.db2.gz NOMAZUBQUADXND-UHFFFAOYSA-N 0 0 198.193 1.663 10 0 ADAERN CC(C)(C)OC(=O)c1cc[nH]c1 38324916 571843208 /nfs/dbraw/zinc/84/32/08/571843208.db2.gz GSQXBOPBINCMTF-UHFFFAOYSA-N 0 0 167.208 1.970 10 0 ADAERN CC(=O)NC1(N(F)F)CCCCC1 38312690 571843222 /nfs/dbraw/zinc/84/32/22/571843222.db2.gz HGCVBIIBYIUSKI-UHFFFAOYSA-N 0 0 192.209 1.854 10 0 ADAERN C[C@]1(C(=O)[O-])[NH2+]C[C@H]2CCCC[C@H]21 38350512 571843287 /nfs/dbraw/zinc/84/32/87/571843287.db2.gz WYGSKXGXYGOZAU-MRTMQBJTSA-N 0 0 183.251 1.239 10 0 ADAERN CO[C@H]1NC(=O)Oc2ccccc21 5706909 571843289 /nfs/dbraw/zinc/84/32/89/571843289.db2.gz OAUYTZJEWLBQHM-MRVPVSSYSA-N 0 0 179.175 1.434 10 0 ADAERN 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YYYGYPVDAFCPCF-RQJHMYQMSA-N 0 0 194.321 1.538 10 0 ADAERN CC[C@@H](O)c1cccc(OC)n1 233908076 571843484 /nfs/dbraw/zinc/84/34/84/571843484.db2.gz WWJXYHQSGPNNOG-MRVPVSSYSA-N 0 0 167.208 1.534 10 0 ADAERN CC[C@@H](O)c1noc(C(F)F)n1 233912964 571843534 /nfs/dbraw/zinc/84/35/34/571843534.db2.gz VRAKPBLJBFDXNP-GSVOUGTGSA-N 0 0 178.138 1.451 10 0 ADAERN CCCCn1sc2nccn2c1=O 38325243 571843535 /nfs/dbraw/zinc/84/35/35/571843535.db2.gz RZZAJMOKJQQDSG-UHFFFAOYSA-N 0 0 197.263 1.358 10 0 ADAERN CCNC1=CC(=N)O[C@]1(C)CC 5664306 571843536 /nfs/dbraw/zinc/84/35/36/571843536.db2.gz IENYIIJJVYEJPR-SECBINFHSA-N 0 0 168.240 1.656 10 0 ADAERN C[C@]1(C(=O)[O-])[NH2+]C[C@H]2CCCC[C@@H]21 38350514 571843543 /nfs/dbraw/zinc/84/35/43/571843543.db2.gz WYGSKXGXYGOZAU-WEDXCCLWSA-N 0 0 183.251 1.239 10 0 ADAERN CC(C)(CO)[C@@H](O)c1ccc(F)cc1 38350724 571843548 /nfs/dbraw/zinc/84/35/48/571843548.db2.gz HTAHOZZLTYPZRG-JTQLQIEISA-N 0 0 198.237 1.878 10 0 ADAERN COc1cc2ncc[nH]c-2cc1=O 5639649 571843563 /nfs/dbraw/zinc/84/35/63/571843563.db2.gz KRQJJTZFQLCVDP-UHFFFAOYSA-N 0 0 176.175 1.344 10 0 ADAERN O=C1C[C@H]2CNc3ccccc3[C@H]2N1 38338803 571843579 /nfs/dbraw/zinc/84/35/79/571843579.db2.gz YTSHXKLXUANLGQ-CPCISQLKSA-N 0 0 188.230 1.289 10 0 ADAERN CC(C)(C)[C@]1(O)CCCC[C@@H]1O 5714632 571843586 /nfs/dbraw/zinc/84/35/86/571843586.db2.gz XEDWZVNPHNRMQZ-WPRPVWTQSA-N 0 0 172.268 1.699 10 0 ADAERN CCOP(=O)(OC)OC 5650781 571843618 /nfs/dbraw/zinc/84/36/18/571843618.db2.gz JQVXMIPNQMYRPE-UHFFFAOYSA-N 0 0 154.102 1.424 10 0 ADAERN C/C=C/[C@@H]1O[C@H](C)CC(=O)[C@@H]1C 38338488 571843634 /nfs/dbraw/zinc/84/36/34/571843634.db2.gz LDNMCQCOIBUAPC-FWWPZPIUSA-N 0 0 168.236 1.945 10 0 ADAERN C[C@H](O)[C@H]1O[C@H]1c1ccccc1 38350311 571843639 /nfs/dbraw/zinc/84/36/39/571843639.db2.gz BBFNHPCLQITQGM-SFGNSQDASA-N 0 0 164.204 1.507 10 0 ADAERN CC(=O)Oc1cccc2c1CCC2=O 38325137 571843653 /nfs/dbraw/zinc/84/36/53/571843653.db2.gz DGZHZKIQGBBCET-UHFFFAOYSA-N 0 0 190.198 1.741 10 0 ADAERN OC[C@](F)(C(F)F)C(F)(F)F 38350484 571843685 /nfs/dbraw/zinc/84/36/85/571843685.db2.gz IWRGGPDUICGGJE-VKHMYHEASA-N 0 0 182.063 1.514 10 0 ADAERN CCNC1=CC(=N)O[C@@]1(C)CC 5666493 571843704 /nfs/dbraw/zinc/84/37/04/571843704.db2.gz IENYIIJJVYEJPR-VIFPVBQESA-N 0 0 168.240 1.656 10 0 ADAERN C[C@H](O)C1=Cc2ccccc2OC1 38324977 571843724 /nfs/dbraw/zinc/84/37/24/571843724.db2.gz LSRTVPYWKHSFLK-QMMMGPOBSA-N 0 0 176.215 1.843 10 0 ADAERN CCCC[C@@]1(C)C[C@@H](O)CO1 5647354 571843734 /nfs/dbraw/zinc/84/37/34/571843734.db2.gz RSASFMWFUQRKDA-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CCC1([C@H](NN)[C@@H]2CCCOC2)CC1 687803570 571843741 /nfs/dbraw/zinc/84/37/41/571843741.db2.gz HAESWQGSTZTIKM-NXEZZACHSA-N 0 0 198.310 1.435 10 0 ADAERN Oc1cc(F)cc2c1OCCC2 38324920 571843748 /nfs/dbraw/zinc/84/37/48/571843748.db2.gz AMYGYIUURUIYFA-UHFFFAOYSA-N 0 0 168.167 1.856 10 0 ADAERN c1cnc2c(c1)C1=NCC[C@H]1CC2 38350400 571843757 /nfs/dbraw/zinc/84/37/57/571843757.db2.gz HLIDTGCLRFKXQR-MRVPVSSYSA-N 0 0 172.231 1.837 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165.236 1.923 10 0 ADAERN CCC1([C@@H](NN)[C@H]2CCCOC2)CC1 687803571 571843927 /nfs/dbraw/zinc/84/39/27/571843927.db2.gz HAESWQGSTZTIKM-UWVGGRQHSA-N 0 0 198.310 1.435 10 0 ADAERN C[C@@]12CC=C[C@@H]1[C@H](O)C2 38325687 571843944 /nfs/dbraw/zinc/84/39/44/571843944.db2.gz RRSBWRCXIQUOMD-PRJMDXOYSA-N 0 0 124.183 1.333 10 0 ADAERN CC[C@H]([NH2+][C@H]1C[C@H]1CC(C)C)C(=O)[O-] 385390020 571843948 /nfs/dbraw/zinc/84/39/48/571843948.db2.gz SDNFCQDYZQAQEM-UTLUCORTSA-N 0 0 199.294 1.874 10 0 ADAERN COC/C=C/I 38312814 571843982 /nfs/dbraw/zinc/84/39/82/571843982.db2.gz KWFZHOGLANTOTE-NSCUHMNNSA-N 0 0 198.003 1.582 10 0 ADAERN COc1cccc2c1C[C@H](O)CC2 38338639 571844161 /nfs/dbraw/zinc/84/41/61/571844161.db2.gz QUZJUIUDXOFCHD-SECBINFHSA-N 0 0 178.231 1.545 10 0 ADAERN OCCC1=NO[C@H](c2ccccc2)C1 5666219 571844013 /nfs/dbraw/zinc/84/40/13/571844013.db2.gz FZBVHNOCMYWVSA-NSHDSACASA-N 0 0 191.230 1.886 10 0 ADAERN C[C@H]1c2ccccc2CCS1(=O)=O 5723597 571844047 /nfs/dbraw/zinc/84/40/47/571844047.db2.gz HJNWWXPAAUYFJJ-QMMMGPOBSA-N 0 0 196.271 1.719 10 0 ADAERN OCSc1ccccc1 38350093 571844060 /nfs/dbraw/zinc/84/40/60/571844060.db2.gz UKLQUFQGBTZEMZ-UHFFFAOYSA-N 0 0 140.207 1.729 10 0 ADAERN [NH3+][C@@H](c1ccccc1)[C@H](F)C(=O)[O-] 38338718 571844062 /nfs/dbraw/zinc/84/40/62/571844062.db2.gz LWGILYFFIDKASG-YUMQZZPRSA-N 0 0 183.182 1.109 10 0 ADAERN CC(C)[C@H]1[C@H](C)OC(=O)N[C@@H]1C 38338525 571844079 /nfs/dbraw/zinc/84/40/79/571844079.db2.gz XGJRMMALNTXPCE-GJMOJQLCSA-N 0 0 171.240 1.775 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1ccnc(NC)n1 233915790 571844094 /nfs/dbraw/zinc/84/40/94/571844094.db2.gz UNWHRTQWEVXAQN-HTQZYQBOSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@@H]1CCCc2c[nH]nc21 5634477 571844111 /nfs/dbraw/zinc/84/41/11/571844111.db2.gz WBCYWJUXCJYZNK-ZCFIWIBFSA-N 0 0 136.198 1.850 10 0 ADAERN O=C1CO[C@@]2(CN1)C[C@H]1CC[C@H](C1)C2 710988512 571844115 /nfs/dbraw/zinc/84/41/15/571844115.db2.gz UUACDGGMNBPCRV-DOFRTFSJSA-N 0 0 195.262 1.082 10 0 ADAERN CCO[P@](=O)(CC)OC 5650910 571844120 /nfs/dbraw/zinc/84/41/20/571844120.db2.gz GYWPLJQMSDXQDK-VIFPVBQESA-N 0 0 152.130 1.882 10 0 ADAERN CC1=C(C)C[C@@H]([NH3+])[C@@H](C(=O)[O-])C1 38338503 571844163 /nfs/dbraw/zinc/84/41/63/571844163.db2.gz PPGIICUHSAUCEM-JGVFFNPUSA-N 0 0 169.224 1.145 10 0 ADAERN c1cnc2ccc3nccn3c2c1 38350363 571844138 /nfs/dbraw/zinc/84/41/38/571844138.db2.gz ROKSWQPDDHMAOL-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN CC(C)N1C(=O)CC(=O)[C@@H]1[C@@H]1C[C@H]1C 712577020 571844151 /nfs/dbraw/zinc/84/41/51/571844151.db2.gz MGUKMJMHTPLDMB-XLDPMVHQSA-N 0 0 195.262 1.221 10 0 ADAERN CCC[C@H](OC(C)=O)N(C)N=O 5648853 571844156 /nfs/dbraw/zinc/84/41/56/571844156.db2.gz VCGFSKNCUIRVDA-ZETCQYMHSA-N 0 0 174.200 1.289 10 0 ADAERN COc1ccc(O)c2ccc(=O)oc12 38434719 571848402 /nfs/dbraw/zinc/84/84/02/571848402.db2.gz WGXILWKMBRZBIB-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN O=C([O-])[C@@H]1[NH2+]C[C@H]2C3CCC(CC3)[C@@H]21 38325213 571844199 /nfs/dbraw/zinc/84/41/99/571844199.db2.gz WZNXXJONBSOHSF-YSPNUELXSA-N 0 0 195.262 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1.437 10 0 ADAERN CCO[C@]1(C)SCCS[C@@H]1O 38325202 571844321 /nfs/dbraw/zinc/84/43/21/571844321.db2.gz YYYGYPVDAFCPCF-NKWVEPMBSA-N 0 0 194.321 1.538 10 0 ADAERN CCc1ccc(C(C)(C)O)nc1 169164000 571844373 /nfs/dbraw/zinc/84/43/73/571844373.db2.gz MDMNVMLLANLTHQ-UHFFFAOYSA-N 0 0 165.236 1.871 10 0 ADAERN CCc1nc2c(c(NC)n1)COCC2 234226802 571844382 /nfs/dbraw/zinc/84/43/82/571844382.db2.gz QURUTFQSKNWQLA-UHFFFAOYSA-N 0 0 193.250 1.153 10 0 ADAERN C[C@H](O)c1ccc(N(C)N=O)cc1 5735436 571844402 /nfs/dbraw/zinc/84/44/02/571844402.db2.gz KVQUJTYBWCGJRS-ZETCQYMHSA-N 0 0 180.207 1.858 10 0 ADAERN CO[C@H](C)[C@H](O)CCCC(F)F 687854501 571848251 /nfs/dbraw/zinc/84/82/51/571848251.db2.gz DKAXUFFSPSWTDA-RNFRBKRXSA-N 0 0 182.210 1.818 10 0 ADAERN CC[C@@H]1CC[C@H](C)N1C(=O)C(C)(C)O 233913935 571844408 /nfs/dbraw/zinc/84/44/08/571844408.db2.gz QDCNORGUCCKTIH-DTWKUNHWSA-N 0 0 199.294 1.547 10 0 ADAERN COc1ccn2c1C(=O)CC2 28352823 571844412 /nfs/dbraw/zinc/84/44/12/571844412.db2.gz VHCXDGYALDQDLC-UHFFFAOYSA-N 0 0 151.165 1.083 10 0 ADAERN c1c[nH]c2c(c1)ccc1nnnc12 38324933 571844415 /nfs/dbraw/zinc/84/44/15/571844415.db2.gz FGLRGMVWMQLOCO-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN c1ccc(Nc2nccnn2)nc1 38324953 571844426 /nfs/dbraw/zinc/84/44/26/571844426.db2.gz IEOBJLSTZVEHKQ-UHFFFAOYSA-N 0 0 173.179 1.010 10 0 ADAERN c1cnc2c(c1)C1=NCC[C@@H]1CC2 38350399 571844443 /nfs/dbraw/zinc/84/44/43/571844443.db2.gz HLIDTGCLRFKXQR-QMMMGPOBSA-N 0 0 172.231 1.837 10 0 ADAERN Cc1c[nH]nc1C(C)C 5635010 571844456 /nfs/dbraw/zinc/84/44/56/571844456.db2.gz IUUHYSDDMJYOTN-UHFFFAOYSA-N 0 0 124.187 1.842 10 0 ADAERN CCn1ncnc1CC1(O)CC(C)C1 234225786 571844492 /nfs/dbraw/zinc/84/44/92/571844492.db2.gz AGALXQQIJDKTOS-UHFFFAOYSA-N 0 0 195.266 1.002 10 0 ADAERN CCOC(=O)[C@H]1CCCc2cc[nH]c21 38312709 571844503 /nfs/dbraw/zinc/84/45/03/571844503.db2.gz AAAUHCGLLMVZGO-VIFPVBQESA-N 0 0 193.246 1.998 10 0 ADAERN C[C@H](O)C1=CCCC(=O)CC1 38350190 571844540 /nfs/dbraw/zinc/84/45/40/571844540.db2.gz JLCNHAUVNZFHCG-ZETCQYMHSA-N 0 0 154.209 1.437 10 0 ADAERN C/C=C(CC)/C(C)=C\C(N)=O 200039450 571848259 /nfs/dbraw/zinc/84/82/59/571848259.db2.gz JDRSIQPKGXAVND-AKAREZBESA-N 0 0 153.225 1.774 10 0 ADAERN CCC1([C@@H](NN)[C@@H]2CCCOC2)CC1 687803573 571844601 /nfs/dbraw/zinc/84/46/01/571844601.db2.gz HAESWQGSTZTIKM-ZJUUUORDSA-N 0 0 198.310 1.435 10 0 ADAERN CCO[C@]1(C)SCCS[C@H]1O 38325200 571844642 /nfs/dbraw/zinc/84/46/42/571844642.db2.gz YYYGYPVDAFCPCF-RNFRBKRXSA-N 0 0 194.321 1.538 10 0 ADAERN Nc1ccc(-c2coc(N)n2)cc1 38338576 571844674 /nfs/dbraw/zinc/84/46/74/571844674.db2.gz ZNPRAIBLAJFYJD-UHFFFAOYSA-N 0 0 175.191 1.506 10 0 ADAERN C[C@H](O)Cc1ccccc1N(C)C 38337814 571844687 /nfs/dbraw/zinc/84/46/87/571844687.db2.gz UYKISKDAABTLAS-VIFPVBQESA-N 0 0 179.263 1.676 10 0 ADAERN CC1(C)C[C@@H](O)C[C@@](C)(CO)C1 38338539 571844706 /nfs/dbraw/zinc/84/47/06/571844706.db2.gz SYMNXYZGEQDEPK-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN CNC1=CC(=N)OC12CCCC2 5668903 571844719 /nfs/dbraw/zinc/84/47/19/571844719.db2.gz AXBSPQVLRHLZOU-UHFFFAOYSA-N 0 0 166.224 1.410 10 0 ADAERN C[C@@H]1[C@H]2C=CC=C[C@H](O2)[C@@H]1CO 38324896 571844729 /nfs/dbraw/zinc/84/47/29/571844729.db2.gz ITPYJWMYYISAPJ-JLIMGVALSA-N 0 0 166.220 1.124 10 0 ADAERN C[C@H](O)c1cc2ccccc2c(=O)o1 38325135 571844784 /nfs/dbraw/zinc/84/47/84/571844784.db2.gz JGZQSZOUIWKENH-ZETCQYMHSA-N 0 0 190.198 1.846 10 0 ADAERN CN(C)C(=O)Nc1ccc(O)cc1N 234226508 571844896 /nfs/dbraw/zinc/84/48/96/571844896.db2.gz VLZDXURDMRNYSY-UHFFFAOYSA-N 0 0 195.222 1.068 10 0 ADAERN CCO[C@H]1C=C(Cl)C(=O)O1 5650868 571844901 /nfs/dbraw/zinc/84/49/01/571844901.db2.gz HUEWZXDISSFEPL-RXMQYKEDSA-N 0 0 162.572 1.029 10 0 ADAERN COc1cc(N)c(OC)c2c1OCO2 38338948 571844902 /nfs/dbraw/zinc/84/49/02/571844902.db2.gz PLGLAXPMZINJPA-UHFFFAOYSA-N 0 0 197.190 1.015 10 0 ADAERN Cc1ccc2[nH]cc(C(N)=O)c2c1 38363200 571844903 /nfs/dbraw/zinc/84/49/03/571844903.db2.gz DPFLRVCPRSEEQP-UHFFFAOYSA-N 0 0 174.203 1.575 10 0 ADAERN OCC(c1ccc[nH]1)c1ccc[nH]1 38338602 571844932 /nfs/dbraw/zinc/84/49/32/571844932.db2.gz QDKJCMBATBCDHB-UHFFFAOYSA-N 0 0 176.219 1.467 10 0 ADAERN C[C@H]1CCC[C@@]1([NH2+]CC1CC1)C(=O)[O-] 84902186 571844945 /nfs/dbraw/zinc/84/49/45/571844945.db2.gz UWCURKBQSYXOGB-KWQFWETISA-N 0 0 197.278 1.629 10 0 ADAERN OC[C@@H]1C[C@@H]2CCCCC[C@]12O 38363132 571844974 /nfs/dbraw/zinc/84/49/74/571844974.db2.gz MOASIAQDEMIWTK-LPEHRKFASA-N 0 0 170.252 1.310 10 0 ADAERN CCn1cc([C@@H]2C[C@@H](O)CCO2)cn1 234220739 571844976 /nfs/dbraw/zinc/84/49/76/571844976.db2.gz AUKDVVMCOGWOPA-UWVGGRQHSA-N 0 0 196.250 1.115 10 0 ADAERN O=C([O-])[C@@H]1[NH2+]C[C@@H]2C3CCC(CC3)[C@H]12 38325212 571844984 /nfs/dbraw/zinc/84/49/84/571844984.db2.gz WZNXXJONBSOHSF-PGQYJIMISA-N 0 0 195.262 1.095 10 0 ADAERN C[C@@](CO)(COCC1CC1)C1CC1 235367948 571844988 /nfs/dbraw/zinc/84/49/88/571844988.db2.gz SXNXQUYAHLAJBQ-LLVKDONJSA-N 0 0 184.279 1.822 10 0 ADAERN COCOc1cccc2c1[C@H](O)CC2 5663757 571845010 /nfs/dbraw/zinc/84/50/10/571845010.db2.gz BPNXXGPEJQIVQU-SECBINFHSA-N 0 0 194.230 1.649 10 0 ADAERN CCc1c[nH]c(CO)c1CC 38324836 571845028 /nfs/dbraw/zinc/84/50/28/571845028.db2.gz SUNMECLFQPLOGG-UHFFFAOYSA-N 0 0 153.225 1.632 10 0 ADAERN CC(C)(C)[C@@]1(O)CCCC[C@@H]1O 5714689 571845046 /nfs/dbraw/zinc/84/50/46/571845046.db2.gz XEDWZVNPHNRMQZ-WCBMZHEXSA-N 0 0 172.268 1.699 10 0 ADAERN O=C(c1ccoc1)[C@H](O)c1ccoc1 38350637 571845049 /nfs/dbraw/zinc/84/50/49/571845049.db2.gz MTSVJIHGNXJKLC-SECBINFHSA-N 0 0 192.170 1.789 10 0 ADAERN CN(O)Cc1cnc2ccn(C)c2c1 214641522 571845054 /nfs/dbraw/zinc/84/50/54/571845054.db2.gz ZRKOYCDKJDIXBV-UHFFFAOYSA-N 0 0 191.234 1.394 10 0 ADAERN CC(C)N1C(=O)CC(=O)[C@H]1[C@@H]1C[C@H]1C 712577018 571844884 /nfs/dbraw/zinc/84/48/84/571844884.db2.gz MGUKMJMHTPLDMB-SOCHQFKDSA-N 0 0 195.262 1.221 10 0 ADAERN CN1C[C@@H](c2ccccc2)N(C)C1=O 143880186 571845073 /nfs/dbraw/zinc/84/50/73/571845073.db2.gz JKLRHDKIZYUBLI-JTQLQIEISA-N 0 0 190.246 1.725 10 0 ADAERN C1=Cc2cccn2CC1 38362820 571845091 /nfs/dbraw/zinc/84/50/91/571845091.db2.gz FQKOGTWNFJGTLT-UHFFFAOYSA-N 0 0 119.167 1.905 10 0 ADAERN C[C@H](O)CCCN1C(=O)[C@@H]2CCC[C@@H]21 687803564 571845103 /nfs/dbraw/zinc/84/51/03/571845103.db2.gz PJSGTZZOVLOHSL-AEJSXWLSSA-N 0 0 197.278 1.158 10 0 ADAERN CC[C@@H](O)c1ncccc1OC 233912896 571845115 /nfs/dbraw/zinc/84/51/15/571845115.db2.gz DJSIFXQHOSLBAR-SSDOTTSWSA-N 0 0 167.208 1.534 10 0 ADAERN CC(=O)NC(=O)c1ccc(C)cc1 5698619 571845117 /nfs/dbraw/zinc/84/51/17/571845117.db2.gz JBKRKCXRVLDGMG-UHFFFAOYSA-N 0 0 177.203 1.271 10 0 ADAERN CC(C)(O)CNC1=CC(=N)OC1(C)C 5644909 571845176 /nfs/dbraw/zinc/84/51/76/571845176.db2.gz JBYMJKQSJPFVEP-UHFFFAOYSA-N 0 0 198.266 1.017 10 0 ADAERN CC(C)[C@@H](CO)C(=O)N(C)C(C)C 258880948 571845187 /nfs/dbraw/zinc/84/51/87/571845187.db2.gz XPMLGGUATXGOTA-SECBINFHSA-N 0 0 187.283 1.118 10 0 ADAERN C=C(F)S(=O)(=O)c1ccccc1 5638940 571845200 /nfs/dbraw/zinc/84/52/00/571845200.db2.gz RHJXCDAUJAIZGV-UHFFFAOYSA-N 0 0 186.207 1.901 10 0 ADAERN C[C@H](O)CCCN1C(=O)[C@@H]2CCC[C@H]21 687803566 571845216 /nfs/dbraw/zinc/84/52/16/571845216.db2.gz PJSGTZZOVLOHSL-IVZWLZJFSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@H](O)CCCN1C(=O)[C@H]2CCC[C@H]21 687803567 571845231 /nfs/dbraw/zinc/84/52/31/571845231.db2.gz PJSGTZZOVLOHSL-LPEHRKFASA-N 0 0 197.278 1.158 10 0 ADAERN O=C1C[C@@H](O)C[C@H](c2ccccc2)O1 38350643 571845236 /nfs/dbraw/zinc/84/52/36/571845236.db2.gz YLSYWCHDUMVJIL-VHSXEESVSA-N 0 0 192.214 1.426 10 0 ADAERN CC[C@H]([NH2+][C@@H]1C[C@@H]1CC(C)C)C(=O)[O-] 385390019 571845240 /nfs/dbraw/zinc/84/52/40/571845240.db2.gz SDNFCQDYZQAQEM-LPEHRKFASA-N 0 0 199.294 1.874 10 0 ADAERN COc1ccc(O)c(NC(N)=S)c1 5639801 571845330 /nfs/dbraw/zinc/84/53/30/571845330.db2.gz VVBDUSPBAKMSBJ-UHFFFAOYSA-N 0 0 198.247 1.056 10 0 ADAERN CCCCOCCn1nc(N)cc1C 67800332 571845353 /nfs/dbraw/zinc/84/53/53/571845353.db2.gz YCXKAMQQGJFGDJ-UHFFFAOYSA-N 0 0 197.282 1.590 10 0 ADAERN CCOc1cc(C(N)=O)ccc1Cl 28278367 571845361 /nfs/dbraw/zinc/84/53/61/571845361.db2.gz OICRFXQWOMVVRG-UHFFFAOYSA-N 0 0 199.637 1.838 10 0 ADAERN CCOCCC[C@@](C)(O)COC 689377362 571845395 /nfs/dbraw/zinc/84/53/95/571845395.db2.gz GKLDRBINXJINPQ-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN CC(C)(CO)NC1=CC(=N)OC1(C)C 5644908 571845454 /nfs/dbraw/zinc/84/54/54/571845454.db2.gz LPSBDNKIINZFNR-UHFFFAOYSA-N 0 0 198.266 1.017 10 0 ADAERN CCOCCC[C@H](O)CCSC 689377357 571845472 /nfs/dbraw/zinc/84/54/72/571845472.db2.gz GGMKLTVJQPPHAZ-VIFPVBQESA-N 0 0 192.324 1.917 10 0 ADAERN CCOCCC[C@@H](O)CCSC 689377354 571845475 /nfs/dbraw/zinc/84/54/75/571845475.db2.gz GGMKLTVJQPPHAZ-SECBINFHSA-N 0 0 192.324 1.917 10 0 ADAERN CNC(C)=CC(=O)OC(C)C 143804011 571845515 /nfs/dbraw/zinc/84/55/15/571845515.db2.gz MEGZGEBSOBQXKW-ALCCZGGFSA-N 0 0 157.213 1.061 10 0 ADAERN COC(C)(C)CCOC[C@H](C)O 234644455 571845553 /nfs/dbraw/zinc/84/55/53/571845553.db2.gz SVVSKEGPEYVKOO-QMMMGPOBSA-N 0 0 176.256 1.199 10 0 ADAERN CC1([C@H](Cc2cccnc2)NN)CC1 229626709 571845587 /nfs/dbraw/zinc/84/55/87/571845587.db2.gz FRPRFRMCUXZUHH-JTQLQIEISA-N 0 0 191.278 1.256 10 0 ADAERN CC[C@@H](CO)NC1=CC(=N)OC1(C)C 5663077 571845612 /nfs/dbraw/zinc/84/56/12/571845612.db2.gz NQNARNYETOGZAO-ZETCQYMHSA-N 0 0 198.266 1.017 10 0 ADAERN CNC(=O)Oc1ccc(F)c(F)c1 143802365 571845635 /nfs/dbraw/zinc/84/56/35/571845635.db2.gz RSDJZHPJVPTWBH-UHFFFAOYSA-N 0 0 187.145 1.683 10 0 ADAERN CC[C@H](CO)NC1=CC(=N)OC1(C)C 5666174 571845637 /nfs/dbraw/zinc/84/56/37/571845637.db2.gz NQNARNYETOGZAO-SSDOTTSWSA-N 0 0 198.266 1.017 10 0 ADAERN CC[C@H](C)[C@H](C)O[N+](=O)[O-] 5651431 571845651 /nfs/dbraw/zinc/84/56/51/571845651.db2.gz IEHIEWLLOPOHIZ-WDSKDSINSA-N 0 0 147.174 1.629 10 0 ADAERN O[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@H]23 5725704 571845654 /nfs/dbraw/zinc/84/56/54/571845654.db2.gz RXIGCWMZDHKCPS-YQXRAVKXSA-N 0 0 124.183 1.023 10 0 ADAERN COc1cc(C=O)c(C)c(OC)c1 38386866 571845657 /nfs/dbraw/zinc/84/56/57/571845657.db2.gz MPAYFBIOGOCGKY-UHFFFAOYSA-N 0 0 180.203 1.825 10 0 ADAERN O=C1CO[C@]2(CN1)C[C@H]1CC[C@H](C1)C2 710988514 571845668 /nfs/dbraw/zinc/84/56/68/571845668.db2.gz UUACDGGMNBPCRV-JZYVYDRUSA-N 0 0 195.262 1.082 10 0 ADAERN CCOC(=O)Nc1c(C)noc1N 38416301 571845670 /nfs/dbraw/zinc/84/56/70/571845670.db2.gz WCPHTVPPKUBONB-UHFFFAOYSA-N 0 0 185.183 1.134 10 0 ADAERN C[C@H]1Oc2ccccc2O[C@H]1CCO 5736038 571845706 /nfs/dbraw/zinc/84/57/06/571845706.db2.gz GPFXMOUKKRIXTF-BDAKNGLRSA-N 0 0 194.230 1.597 10 0 ADAERN COC(=O)C1=CC[C@H]([C@H](C)CO)CC1 143888942 571845715 /nfs/dbraw/zinc/84/57/15/571845715.db2.gz QQOOJRVNRFEYLI-BDAKNGLRSA-N 0 0 198.262 1.514 10 0 ADAERN CC1([C@H]2C(=O)CC(=O)N2C2CC2)CC1 712575679 571845727 /nfs/dbraw/zinc/84/57/27/571845727.db2.gz AEEQJPMFFIEQNW-SNVBAGLBSA-N 0 0 193.246 1.119 10 0 ADAERN C[C@H](CCO)[C@H]1CCC(=O)[C@@H]1C 38434038 571845735 /nfs/dbraw/zinc/84/57/35/571845735.db2.gz KQZSHDLIISLLGY-IWSPIJDZSA-N 0 0 170.252 1.620 10 0 ADAERN Cc1nc(C=NN(C)C)cs1 379307027 571845750 /nfs/dbraw/zinc/84/57/50/571845750.db2.gz VPGWXYFGCWPBFG-UHFFFAOYSA-N 0 0 169.253 1.347 10 0 ADAERN C[C@@H]1CCCc2ccn(CCO)c21 5672863 571845760 /nfs/dbraw/zinc/84/57/60/571845760.db2.gz ULZWBXNYXFKYDP-SECBINFHSA-N 0 0 179.263 1.920 10 0 ADAERN CC[C@@H]1CO[C@@H](C)CO1 5651194 571845767 /nfs/dbraw/zinc/84/57/67/571845767.db2.gz DPXGZEPGOMVZDJ-NKWVEPMBSA-N 0 0 130.187 1.200 10 0 ADAERN CCCCC[C@H](C)C(N)=O 38433717 571845774 /nfs/dbraw/zinc/84/57/74/571845774.db2.gz DEOUZFWSQWEPGE-ZETCQYMHSA-N 0 0 143.230 1.688 10 0 ADAERN CC1(C)C[C@H](O)[C@H]2O[C@@]2(C)C1 5647935 571845778 /nfs/dbraw/zinc/84/57/78/571845778.db2.gz QGHKPPNZUQCACP-OOZYFLPDSA-N 0 0 156.225 1.325 10 0 ADAERN CC[C@@H](C)[C@@H](C)O[N+](=O)[O-] 5651095 571845803 /nfs/dbraw/zinc/84/58/03/571845803.db2.gz IEHIEWLLOPOHIZ-PHDIDXHHSA-N 0 0 147.174 1.629 10 0 ADAERN OCC=C=C1CCCC1 38415650 571845851 /nfs/dbraw/zinc/84/58/51/571845851.db2.gz IVBIWBIUGSZPFX-UHFFFAOYSA-N 0 0 124.183 1.634 10 0 ADAERN O=C1CCC[C@@]23CCCC[C@@]12O3 38415986 571845857 /nfs/dbraw/zinc/84/58/57/571845857.db2.gz GARVYHGIMGIKEM-VHSXEESVSA-N 0 0 166.220 1.821 10 0 ADAERN CCc1occc1[C@@H](C)O 234229318 571845894 /nfs/dbraw/zinc/84/58/94/571845894.db2.gz FKKUYKSKSYYLBF-ZCFIWIBFSA-N 0 0 140.182 1.895 10 0 ADAERN C[C@H]1CC(=O)N(CCCCCCO)C1 235365237 571845911 /nfs/dbraw/zinc/84/59/11/571845911.db2.gz NZEOYICAUCBNMV-JTQLQIEISA-N 0 0 199.294 1.408 10 0 ADAERN CCCCc1c[nH]c(CO)n1 38433799 571845915 /nfs/dbraw/zinc/84/59/15/571845915.db2.gz AZFUOUHCOOVUKO-UHFFFAOYSA-N 0 0 154.213 1.245 10 0 ADAERN CN(C(=O)NC1CC1)c1ccncc1 234222146 571845919 /nfs/dbraw/zinc/84/59/19/571845919.db2.gz LNCCPSWRSXJWJO-UHFFFAOYSA-N 0 0 191.234 1.390 10 0 ADAERN CC[C@@H](O)c1noc(C(F)(F)F)n1 233912953 571845941 /nfs/dbraw/zinc/84/59/41/571845941.db2.gz KOFIOXSXAHSBKG-GSVOUGTGSA-N 0 0 196.128 1.532 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1cc(NC)ncn1 233913517 571845945 /nfs/dbraw/zinc/84/59/45/571845945.db2.gz DIPWXSKSJXWQKY-HTQZYQBOSA-N 0 0 192.266 1.729 10 0 ADAERN CC1([C@@H]2C(=O)CC(=O)N2C2CC2)CC1 712575676 571845979 /nfs/dbraw/zinc/84/59/79/571845979.db2.gz AEEQJPMFFIEQNW-JTQLQIEISA-N 0 0 193.246 1.119 10 0 ADAERN O=C1C2=C(CCCC2)[C@H]2CCCN12 38363276 571845986 /nfs/dbraw/zinc/84/59/86/571845986.db2.gz NMSVVNOFBFXVAU-SNVBAGLBSA-N 0 0 177.247 1.862 10 0 ADAERN CC1=CC[C@]2(C)CC(=O)[C@@H]12 38391887 571845994 /nfs/dbraw/zinc/84/59/94/571845994.db2.gz BGLAHPXYFCYGTG-RKDXNWHRSA-N 0 0 136.194 1.932 10 0 ADAERN O=C1C2=C(CCCC2)[C@@H]2CCCN12 38363274 571846001 /nfs/dbraw/zinc/84/60/01/571846001.db2.gz NMSVVNOFBFXVAU-JTQLQIEISA-N 0 0 177.247 1.862 10 0 ADAERN C[C@H](O)C[S@](=O)c1ccccc1 38363384 571846034 /nfs/dbraw/zinc/84/60/34/571846034.db2.gz OXMABGRJYRIPQD-QPUJVOFHSA-N 0 0 184.260 1.175 10 0 ADAERN CC(C)OC(=O)Cc1cccnc1 84922854 571846053 /nfs/dbraw/zinc/84/60/53/571846053.db2.gz AGHZAHBJYPAFLE-UHFFFAOYSA-N 0 0 179.219 1.576 10 0 ADAERN O[C@H]1CCOC[C@H]1CCCC(F)F 687851506 571846069 /nfs/dbraw/zinc/84/60/69/571846069.db2.gz VFPBVKIYMFSAPP-SFYZADRCSA-N 0 0 194.221 1.819 10 0 ADAERN CCn1ccnc1[C@H](O)[C@@H]1CC1(C)C 234230743 571846087 /nfs/dbraw/zinc/84/60/87/571846087.db2.gz XTWJIIMCALNPPJ-DTWKUNHWSA-N 0 0 194.278 1.983 10 0 ADAERN CO[C@H](C)[C@@H](O)CCCC(F)F 687854502 571846090 /nfs/dbraw/zinc/84/60/90/571846090.db2.gz DKAXUFFSPSWTDA-RQJHMYQMSA-N 0 0 182.210 1.818 10 0 ADAERN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)C1 38415867 571846100 /nfs/dbraw/zinc/84/61/00/571846100.db2.gz ANJKOOKVQNZPTQ-BWZBUEFSSA-N 0 0 155.241 1.544 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@H](C)[NH+](C)C 259239947 571846102 /nfs/dbraw/zinc/84/61/02/571846102.db2.gz BDFSKPUFWIHPPA-JGVFFNPUSA-N 0 0 173.256 1.293 10 0 ADAERN CC(=O)[C@](C)(O)C1=CC=CC1 38415817 571846104 /nfs/dbraw/zinc/84/61/04/571846104.db2.gz DIMZQUDTYIDPMF-VIFPVBQESA-N 0 0 152.193 1.213 10 0 ADAERN CCC(C)(C)C[C@@H](O)c1nnnn1C 687854151 571846133 /nfs/dbraw/zinc/84/61/33/571846133.db2.gz CZPVTCOUZNIPJX-SSDOTTSWSA-N 0 0 198.270 1.070 10 0 ADAERN C[C@H]1CC[C@]2(C[NH2+]C[C@@H]2C(=O)[O-])C1 38392096 571846177 /nfs/dbraw/zinc/84/61/77/571846177.db2.gz LLTJEHSMJBRXHF-QXFUBDJGSA-N 0 0 183.251 1.097 10 0 ADAERN CC(C)[C@H](O)[C@H]1COC(C)(C)O1 38434096 571846272 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/nfs/dbraw/zinc/84/77/22/571847722.db2.gz PGSBJLHZJUPBRC-NSHDSACASA-N 0 0 195.262 1.509 10 0 ADAERN COC(=O)CCC[C@H](C)CCO 200038187 571847724 /nfs/dbraw/zinc/84/77/24/571847724.db2.gz YTSWCKACEPTSGC-QMMMGPOBSA-N 0 0 174.240 1.348 10 0 ADAERN CCn1cc(/C=C(/C)[C@H](C)O)cn1 234228842 571847740 /nfs/dbraw/zinc/84/77/40/571847740.db2.gz YMJGCHQSIWVBDM-RDOCRHDPSA-N 0 0 180.251 1.687 10 0 ADAERN O=C1CO[C@H]2CCCCC[C@@H]12 28546558 571847743 /nfs/dbraw/zinc/84/77/43/571847743.db2.gz GQUYKXKQUHDOEH-CBAPKCEASA-N 0 0 154.209 1.535 10 0 ADAERN CCC(CC)[C@@H]1C(=O)CC(=O)N1CC 712589828 571847805 /nfs/dbraw/zinc/84/78/05/571847805.db2.gz HUQKOWLDCYTSCV-LLVKDONJSA-N 0 0 197.278 1.613 10 0 ADAERN CC(Cl)(Cl)N=O 5761726 571847814 /nfs/dbraw/zinc/84/78/14/571847814.db2.gz FALBQWHGTLHCLC-UHFFFAOYSA-N 0 0 127.958 1.904 10 0 ADAERN CC/C=C/CC(OC)OC 5761866 571847902 /nfs/dbraw/zinc/84/79/02/571847902.db2.gz AIFDKYGVVMSLMZ-AATRIKPKSA-N 0 0 144.214 1.962 10 0 ADAERN CN1CCC(C)(C)C1(F)F 38522690 571847973 /nfs/dbraw/zinc/84/79/73/571847973.db2.gz BZSBPSOVPACROP-UHFFFAOYSA-N 0 0 149.184 1.941 10 0 ADAERN Cc1cccc(CCNC(N)=O)c1C 5782390 571848002 /nfs/dbraw/zinc/84/80/02/571848002.db2.gz PZZVZUYFWZWFGQ-UHFFFAOYSA-N 0 0 192.262 1.514 10 0 ADAERN C[C@@H](NC(=O)CF)c1ccccc1 38523372 571848007 /nfs/dbraw/zinc/84/80/07/571848007.db2.gz GJBFDNAZYZRDHI-MRVPVSSYSA-N 0 0 181.210 1.833 10 0 ADAERN CCC(C)(C)C[C@H](O)c1nnnn1C 687854153 571848014 /nfs/dbraw/zinc/84/80/14/571848014.db2.gz CZPVTCOUZNIPJX-ZETCQYMHSA-N 0 0 198.270 1.070 10 0 ADAERN CCC(CO)(CO)CCCC(F)F 687925449 571848037 /nfs/dbraw/zinc/84/80/37/571848037.db2.gz SQBFYMSAWUIHMP-UHFFFAOYSA-N 0 0 196.237 1.803 10 0 ADAERN O[C@@H]1CCOC[C@@H]1CCCC(F)F 687851504 571848113 /nfs/dbraw/zinc/84/81/13/571848113.db2.gz VFPBVKIYMFSAPP-JGVFFNPUSA-N 0 0 194.221 1.819 10 0 ADAERN CCc1cc(C=O)c(OC)nc1C 38434224 571848128 /nfs/dbraw/zinc/84/81/28/571848128.db2.gz RNLDTMJKDYDWJG-UHFFFAOYSA-N 0 0 179.219 1.774 10 0 ADAERN O=C1CO[C@@H]2CCCCC[C@@H]12 28546557 571848130 /nfs/dbraw/zinc/84/81/30/571848130.db2.gz GQUYKXKQUHDOEH-IONNQARKSA-N 0 0 154.209 1.535 10 0 ADAERN CC(C)c1nc2cnc(N)nc2n1C 38523618 571848149 /nfs/dbraw/zinc/84/81/49/571848149.db2.gz SZKJMLAENKFMOV-UHFFFAOYSA-N 0 0 191.238 1.069 10 0 ADAERN Oc1ccc(O)c(C2=NCCC2)c1 5758104 571848160 /nfs/dbraw/zinc/84/81/60/571848160.db2.gz XBYPUXOLKBHFDJ-UHFFFAOYSA-N 0 0 177.203 1.681 10 0 ADAERN C[C@@H]1C(=O)N[C@@H]1SC(C)(C)C 28540527 571848173 /nfs/dbraw/zinc/84/81/73/571848173.db2.gz WKUYOCNYKNNRPP-IYSWYEEDSA-N 0 0 173.281 1.610 10 0 ADAERN O=C1N[C@]2(O)CCC[C@@H]2C12CCCC2 38523696 571848192 /nfs/dbraw/zinc/84/81/92/571848192.db2.gz PTNXUSAFHDRJBQ-KCJUWKMLSA-N 0 0 195.262 1.165 10 0 ADAERN Cc1noc2occ(C=O)c12 28483729 571848193 /nfs/dbraw/zinc/84/81/93/571848193.db2.gz KXWSUSCQAHRLQQ-UHFFFAOYSA-N 0 0 151.121 1.542 10 0 ADAERN C[C@@H]1Cc2ncnc3cccc(c23)N1 5798584 571848206 /nfs/dbraw/zinc/84/82/06/571848206.db2.gz HDFOSUBRGMBQCG-SSDOTTSWSA-N 0 0 185.230 1.986 10 0 ADAERN 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192.218 1.142 10 0 ADAERN COC(=O)N[C@H]1C=CCCC1 38482082 571848334 /nfs/dbraw/zinc/84/83/34/571848334.db2.gz FYQSWPUKUDCYFW-ZETCQYMHSA-N 0 0 155.197 1.451 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1nc(N)ncc1F 233917369 571848309 /nfs/dbraw/zinc/84/83/09/571848309.db2.gz XSSFGYBRNRTODK-IYSWYEEDSA-N 0 0 196.229 1.408 10 0 ADAERN CC1=CCC[C@@]2(C)C1=CC(=O)O[C@@H]2O 5767046 571848310 /nfs/dbraw/zinc/84/83/10/571848310.db2.gz ZBILAXAGOGCPHR-QWRGUYRKSA-N 0 0 194.230 1.534 10 0 ADAERN CC1(C)[C@@H]2C=CC[C@H]1C2=O 5765703 571848370 /nfs/dbraw/zinc/84/83/70/571848370.db2.gz OIRZSFZDNOTQGM-RQJHMYQMSA-N 0 0 136.194 1.788 10 0 ADAERN Cc1ccc(F)c(CNN(C)C)c1 234238860 571848447 /nfs/dbraw/zinc/84/84/47/571848447.db2.gz KPXQHNAYSHNWAL-UHFFFAOYSA-N 0 0 182.242 1.700 10 0 ADAERN CO[C@@H](C)[C@@H](O)CCCC(F)F 687854499 571848467 /nfs/dbraw/zinc/84/84/67/571848467.db2.gz DKAXUFFSPSWTDA-BQBZGAKWSA-N 0 0 182.210 1.818 10 0 ADAERN CNC(=O)/C=C\C(C)(C)C 144101836 571848471 /nfs/dbraw/zinc/84/84/71/571848471.db2.gz 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XCAMRIJYUJBGLS-ZETCQYMHSA-N 0 0 180.203 1.293 10 0 ADAERN COc1ccc(OC)c2c1C[C@H]2O 38434256 571848576 /nfs/dbraw/zinc/84/85/76/571848576.db2.gz XCAMRIJYUJBGLS-SSDOTTSWSA-N 0 0 180.203 1.293 10 0 ADAERN CC[C@@H](C)[C@@H](CO)NC(=O)C(C)C 144062714 571848589 /nfs/dbraw/zinc/84/85/89/571848589.db2.gz HWDGVXHPWUYOOI-RKDXNWHRSA-N 0 0 187.283 1.166 10 0 ADAERN CC1(C)[C@@H]2CC=C[C@H]1C2=O 5765360 571848660 /nfs/dbraw/zinc/84/86/60/571848660.db2.gz OIRZSFZDNOTQGM-NKWVEPMBSA-N 0 0 136.194 1.788 10 0 ADAERN C[C@@H]1CCC[C@H](C(N)=O)[C@@H]1C 38522736 571848664 /nfs/dbraw/zinc/84/86/64/571848664.db2.gz YLLLBPDHWVMPKE-PRJMDXOYSA-N 0 0 155.241 1.544 10 0 ADAERN C[C@@]1(CO)CN=C(c2ccccc2)O1 38523609 571848672 /nfs/dbraw/zinc/84/86/72/571848672.db2.gz SPWLWVAFCKOPIC-NSHDSACASA-N 0 0 191.230 1.214 10 0 ADAERN CNc1n[nH]c(-c2ccccc2)c1N 38523550 571848678 /nfs/dbraw/zinc/84/86/78/571848678.db2.gz VWTPQHWARSZPJB-UHFFFAOYSA-N 0 0 188.234 1.701 10 0 ADAERN CC1(C)C(=O)[C@@H]2CC(=O)[C@H]1C2 5765440 571848700 /nfs/dbraw/zinc/84/87/00/571848700.db2.gz AGIWFGCJRRNRSF-NTSWFWBYSA-N 0 0 152.193 1.191 10 0 ADAERN CCC[S@@](=O)C(C)C 144132979 571848707 /nfs/dbraw/zinc/84/87/07/571848707.db2.gz RNGILROQIVKDFC-QMMMGPOBSA-N 0 0 134.244 1.554 10 0 ADAERN C[N@@H+](/C=C/C(=O)[O-])CCC(F)(F)F 125782666 571848728 /nfs/dbraw/zinc/84/87/28/571848728.db2.gz CNRGVATZVKGEMG-DUXPYHPUSA-N 0 0 197.156 1.469 10 0 ADAERN CCOCCC[C@]1(O)CC[C@H]2C[C@H]21 689377786 571848731 /nfs/dbraw/zinc/84/87/31/571848731.db2.gz IGVALGQTUUOKBV-AXFHLTTASA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)CON[C@H](C)[C@@H]1CCOC1 229642590 571848763 /nfs/dbraw/zinc/84/87/63/571848763.db2.gz VNKHWRZBAISDLP-NXEZZACHSA-N 0 0 187.283 1.589 10 0 ADAERN C[C@@H](O)c1ccc(N(C)N=O)cc1 5751706 571848780 /nfs/dbraw/zinc/84/87/80/571848780.db2.gz KVQUJTYBWCGJRS-SSDOTTSWSA-N 0 0 180.207 1.858 10 0 ADAERN CC1(C)C(=O)[C@]2(C)CC(=O)[C@H]1C2 5765452 571848785 /nfs/dbraw/zinc/84/87/85/571848785.db2.gz IGMIPLUCQOIYOJ-LDWIPMOCSA-N 0 0 166.220 1.581 10 0 ADAERN COC(=O)/C=C\N1CCC[C@@H]1C(C)C 211612590 571848803 /nfs/dbraw/zinc/84/88/03/571848803.db2.gz KUNCWUKAKRDOMA-BJPMOSCESA-N 0 0 197.278 1.794 10 0 ADAERN O=c1ccc(C2(O)CCCCC2)c[nH]1 38434794 571848733 /nfs/dbraw/zinc/84/87/33/571848733.db2.gz LHRMYFKIFGXLDZ-UHFFFAOYSA-N 0 0 193.246 1.527 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1c(N)c(C)nn1C 233916477 571848735 /nfs/dbraw/zinc/84/87/35/571848735.db2.gz NNDFIMSUFPZVNN-SFYZADRCSA-N 0 0 194.282 1.521 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH3+])CC(C)C 144047775 571848741 /nfs/dbraw/zinc/84/87/41/571848741.db2.gz MKHDWVVIZQGNJI-JGVFFNPUSA-N 0 0 173.256 1.471 10 0 ADAERN CCc1nc(CC(C)C)ncc1CO 300718893 571848745 /nfs/dbraw/zinc/84/87/45/571848745.db2.gz AYPQGYBSUGSSFW-UHFFFAOYSA-N 0 0 194.278 1.730 10 0 ADAERN CO[C@@H](C)[C@H](O)CCCC(F)F 687854500 571848809 /nfs/dbraw/zinc/84/88/09/571848809.db2.gz DKAXUFFSPSWTDA-NKWVEPMBSA-N 0 0 182.210 1.818 10 0 ADAERN CCCCC[C@H](O)[C@H]1CO1 38462390 571848828 /nfs/dbraw/zinc/84/88/28/571848828.db2.gz FHHJAZSGOVDVTP-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCc1noc2c1[C@@H]([NH3+])CC2 28477402 571848830 /nfs/dbraw/zinc/84/88/30/571848830.db2.gz RMVPGQIENODMQK-YFKPBYRVSA-N 0 0 152.197 1.183 10 0 ADAERN Nc1ccc(N)c(-c2cccnc2)c1 38482175 571848839 /nfs/dbraw/zinc/84/88/39/571848839.db2.gz UEWPUMVXPDOGGA-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN CN1C(=S)Cc2cccnc21 38522859 571848847 /nfs/dbraw/zinc/84/88/47/571848847.db2.gz PMIKSFDQARCBEP-UHFFFAOYSA-N 0 0 164.233 1.401 10 0 ADAERN C[C@H]1O[C@H]2CCCC[C@@H]2CNC1=O 38434422 571848852 /nfs/dbraw/zinc/84/88/52/571848852.db2.gz OGQRZMHXBOBCDJ-HLTSFMKQSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1ocnc1-c1nnc(N)s1 38523391 571848855 /nfs/dbraw/zinc/84/88/55/571848855.db2.gz NSGWZLFXAOOODT-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1ccnc(Nc2ncccn2)c1 38476050 571848869 /nfs/dbraw/zinc/84/88/69/571848869.db2.gz XHEJFJWJQIHQSD-UHFFFAOYSA-N 0 0 186.218 1.924 10 0 ADAERN CC1=Nc2c(N)cccc2C(=O)NC1 38434611 571848872 /nfs/dbraw/zinc/84/88/72/571848872.db2.gz IKPUDFJKHRCZNA-UHFFFAOYSA-N 0 0 189.218 1.105 10 0 ADAERN CCOC(=O)[C@@H](C)c1cn(C)cn1 259832639 571848875 /nfs/dbraw/zinc/84/88/75/571848875.db2.gz OPCOHGHXADUACD-ZETCQYMHSA-N 0 0 182.223 1.087 10 0 ADAERN Cc1ccc(N)cc1NCCCCO 235763095 571848888 /nfs/dbraw/zinc/84/88/88/571848888.db2.gz XPHBBPHVHSABRQ-UHFFFAOYSA-N 0 0 194.278 1.762 10 0 ADAERN COc1cc(CO)c2c(c1)CCO2 38434267 571848899 /nfs/dbraw/zinc/84/88/99/571848899.db2.gz CSEQCBAEZUJYMX-UHFFFAOYSA-N 0 0 180.203 1.122 10 0 ADAERN CCC(CC)[C@H]1C(=O)CC(=O)N1CC 712589866 571848925 /nfs/dbraw/zinc/84/89/25/571848925.db2.gz HUQKOWLDCYTSCV-NSHDSACASA-N 0 0 197.278 1.613 10 0 ADAERN CCSc1cc(C(N)=S)ccn1 38434978 571848933 /nfs/dbraw/zinc/84/89/33/571848933.db2.gz SXHKCLNSHXDMCP-UHFFFAOYSA-N 0 0 198.316 1.828 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1cncc(NC)n1 233919648 571848935 /nfs/dbraw/zinc/84/89/35/571848935.db2.gz UUMHRKHZSVQQNI-SFYZADRCSA-N 0 0 192.266 1.729 10 0 ADAERN COC(=O)c1cc(SC)no1 169187262 571848946 /nfs/dbraw/zinc/84/89/46/571848946.db2.gz SUZCMZOMXZETLG-UHFFFAOYSA-N 0 0 173.193 1.183 10 0 ADAERN CC(C)NC(=O)Nc1ncco1 5760404 571848947 /nfs/dbraw/zinc/84/89/47/571848947.db2.gz GSRJCDLPHKEVFW-UHFFFAOYSA-N 0 0 169.184 1.205 10 0 ADAERN C[C@@]12CCC[C@@H](CC(=O)C1)O2 38522724 571848953 /nfs/dbraw/zinc/84/89/53/571848953.db2.gz FAVGZECSDDBFND-DTWKUNHWSA-N 0 0 154.209 1.677 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CO)CO2 38522855 571848956 /nfs/dbraw/zinc/84/89/56/571848956.db2.gz BBKYSOVIDJFGIK-QMMMGPOBSA-N 0 0 164.204 1.463 10 0 ADAERN C[C@]1(CO)CN=C(c2ccccc2)O1 38523608 571848985 /nfs/dbraw/zinc/84/89/85/571848985.db2.gz SPWLWVAFCKOPIC-LLVKDONJSA-N 0 0 191.230 1.214 10 0 ADAERN C[C@@H]1C(=O)N[C@H]1SC(C)(C)C 28540537 571848992 /nfs/dbraw/zinc/84/89/92/571848992.db2.gz WKUYOCNYKNNRPP-VDTYLAMSSA-N 0 0 173.281 1.610 10 0 ADAERN C[C@@H]([C@@H]([NH3+])CC(=O)[O-])C(C)(C)C 143967070 571849000 /nfs/dbraw/zinc/84/90/00/571849000.db2.gz KFXSVCSDFYHEMH-BQBZGAKWSA-N 0 0 173.256 1.471 10 0 ADAERN NC1=NC(=O)c2ccc(Cl)cc21 38523363 571849001 /nfs/dbraw/zinc/84/90/01/571849001.db2.gz OLPDMJWDFOJWIV-UHFFFAOYSA-N 0 0 180.594 1.199 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1nnc([C@@H](C)N)o1 233919282 571849028 /nfs/dbraw/zinc/84/90/28/571849028.db2.gz AUBSEJFZBPEVTO-FSDSQADBSA-N 0 0 196.254 1.300 10 0 ADAERN C[C@@H]1O[C@H]1[C@@H](O)c1ccccc1 38522852 571849038 /nfs/dbraw/zinc/84/90/38/571849038.db2.gz LZVKZAOYBXEFCJ-UJNFCWOMSA-N 0 0 164.204 1.507 10 0 ADAERN CCOC(OCC)c1cnccn1 144141016 571849063 /nfs/dbraw/zinc/84/90/63/571849063.db2.gz ABKGSSQDFJURBN-UHFFFAOYSA-N 0 0 182.223 1.548 10 0 ADAERN [NH3+]C[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 38523615 571849077 /nfs/dbraw/zinc/84/90/77/571849077.db2.gz BIRQLZATODDVBN-KOLCDFICSA-N 0 0 191.230 1.204 10 0 ADAERN O=C1NC[C@H]2CCCCC[C@H]12 28545972 571849092 /nfs/dbraw/zinc/84/90/92/571849092.db2.gz GKKVKYYUPPPKCQ-SFYZADRCSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@H](NC(=O)CF)c1ccccc1 38523371 571849155 /nfs/dbraw/zinc/84/91/55/571849155.db2.gz GJBFDNAZYZRDHI-QMMMGPOBSA-N 0 0 181.210 1.833 10 0 ADAERN O=C1CO[C@@H]2CCCCC[C@H]12 28546555 571849163 /nfs/dbraw/zinc/84/91/63/571849163.db2.gz GQUYKXKQUHDOEH-VXNVDRBHSA-N 0 0 154.209 1.535 10 0 ADAERN COC(=O)N[C@@H]1C=CCCC1 38482083 571849148 /nfs/dbraw/zinc/84/91/48/571849148.db2.gz FYQSWPUKUDCYFW-SSDOTTSWSA-N 0 0 155.197 1.451 10 0 ADAERN COc1ccnc2c1CCCC[C@@H]2O 38523658 571849158 /nfs/dbraw/zinc/84/91/58/571849158.db2.gz QXDVXIFPYXDXRE-VIFPVBQESA-N 0 0 193.246 1.850 10 0 ADAERN C[C@H]1C(=O)N[C@H]1SC(C)(C)C 28540532 571849211 /nfs/dbraw/zinc/84/92/11/571849211.db2.gz WKUYOCNYKNNRPP-FSPLSTOPSA-N 0 0 173.281 1.610 10 0 ADAERN O=C1C[C@H](OCc2ccccc2)N1 38523289 571849214 /nfs/dbraw/zinc/84/92/14/571849214.db2.gz LDNZTPOACZGHEU-JTQLQIEISA-N 0 0 177.203 1.049 10 0 ADAERN CCc1noc2c1C(=O)CC2 28479476 571849224 /nfs/dbraw/zinc/84/92/24/571849224.db2.gz RNOSXZLPMAOKNR-UHFFFAOYSA-N 0 0 151.165 1.366 10 0 ADAERN O=C1C[C@@H](OCc2ccccc2)N1 38523288 571849235 /nfs/dbraw/zinc/84/92/35/571849235.db2.gz LDNZTPOACZGHEU-SNVBAGLBSA-N 0 0 177.203 1.049 10 0 ADAERN CCc1nc(N(CC)CC)ncc1N 300719133 571849251 /nfs/dbraw/zinc/84/92/51/571849251.db2.gz BEWPUUVDYIZWFV-UHFFFAOYSA-N 0 0 194.282 1.467 10 0 ADAERN CCCCC[C@@H](O)[C@H]1CO1 38462391 571849273 /nfs/dbraw/zinc/84/92/73/571849273.db2.gz FHHJAZSGOVDVTP-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H]1C[C@@](O)(C(F)(F)F)CO1 401803750 571849277 /nfs/dbraw/zinc/84/92/77/571849277.db2.gz APPWYFDPOBPDLM-UHNVWZDZSA-N 0 0 170.130 1.089 10 0 ADAERN CC[N@@H+]1CC/C(=C\C=C\C(=O)[O-])C1 725571052 571849357 /nfs/dbraw/zinc/84/93/57/571849357.db2.gz FVALMQCOOAYDOP-BMVOEDMYSA-N 0 0 181.235 1.279 10 0 ADAERN C[NH+](C)Cc1cc(F)ccc1C(=O)[O-] 234236734 571849438 /nfs/dbraw/zinc/84/94/38/571849438.db2.gz IKRBCAAFZBCTJK-UHFFFAOYSA-N 0 0 197.209 1.586 10 0 ADAERN O=Cc1cccc2c1OCC[C@@H]2O 38523308 571849496 /nfs/dbraw/zinc/84/94/96/571849496.db2.gz YTSSFJMBRZCTRJ-VIFPVBQESA-N 0 0 178.187 1.315 10 0 ADAERN CCCCO[C@@H](C)CO 5821511 571849517 /nfs/dbraw/zinc/84/95/17/571849517.db2.gz WGKZYJXRTIPTCV-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN [NH3+]C[C@]1(C(=O)[O-])C[C@@H]1C1CCCC1 38523425 571849539 /nfs/dbraw/zinc/84/95/39/571849539.db2.gz MCVUJFHLBXTSGE-PSASIEDQSA-N 0 0 183.251 1.226 10 0 ADAERN C[C@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 38523808 571849555 /nfs/dbraw/zinc/84/95/55/571849555.db2.gz IFGUVHBGNIDWDJ-ZETCQYMHSA-N 0 0 199.250 1.790 10 0 ADAERN CCn1ncc(-c2cccnc2)n1 38523219 571849566 /nfs/dbraw/zinc/84/95/66/571849566.db2.gz XLYUSOVYOOOLQS-UHFFFAOYSA-N 0 0 174.207 1.360 10 0 ADAERN CCOC(=O)[C@H](C)c1cn(C)cn1 259832638 571849578 /nfs/dbraw/zinc/84/95/78/571849578.db2.gz OPCOHGHXADUACD-SSDOTTSWSA-N 0 0 182.223 1.087 10 0 ADAERN O[C@@H]1CCO[C@]2(CCCCS2)C1 38523563 571849629 /nfs/dbraw/zinc/84/96/29/571849629.db2.gz LZEAVUKOUFENKD-BDAKNGLRSA-N 0 0 188.292 1.771 10 0 ADAERN O[C@@H]1C=Cc2cc(F)ccc2O1 38482095 571849672 /nfs/dbraw/zinc/84/96/72/571849672.db2.gz DUNUZXAWZJITBF-VIFPVBQESA-N 0 0 166.151 1.550 10 0 ADAERN OCC(F)(F)CC(F)(F)F 38522842 571849709 /nfs/dbraw/zinc/84/97/09/571849709.db2.gz YMJVHGUGYNDUJU-UHFFFAOYSA-N 0 0 164.073 1.566 10 0 ADAERN [NH3+]C[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 38523614 571849739 /nfs/dbraw/zinc/84/97/39/571849739.db2.gz BIRQLZATODDVBN-ONGXEEELSA-N 0 0 191.230 1.204 10 0 ADAERN CN(C(=O)C1CC1)c1cccc(O)c1 234235832 571849762 /nfs/dbraw/zinc/84/97/62/571849762.db2.gz UKJOSDZRNQVSFF-UHFFFAOYSA-N 0 0 191.230 1.765 10 0 ADAERN Cn1ccc(=O)c2ccc(N)cc21 38523217 571849767 /nfs/dbraw/zinc/84/97/67/571849767.db2.gz SWLAXXQPQGWRHK-UHFFFAOYSA-N 0 0 174.203 1.121 10 0 ADAERN [NH3+]C[C@@]1(C(=O)[O-])C[C@H]1C1CCCC1 38523422 571849770 /nfs/dbraw/zinc/84/97/70/571849770.db2.gz MCVUJFHLBXTSGE-WPRPVWTQSA-N 0 0 183.251 1.226 10 0 ADAERN COc1c(N)ccc(N)c1C(C)=O 147493106 571849871 /nfs/dbraw/zinc/84/98/71/571849871.db2.gz QHUMEBIXLGOVBF-UHFFFAOYSA-N 0 0 180.207 1.062 10 0 ADAERN NC(=O)CC(Cl)=C(Cl)Cl 5828193 571849874 /nfs/dbraw/zinc/84/98/74/571849874.db2.gz XTHXVMALTZIGGE-UHFFFAOYSA-N 0 0 188.441 1.747 10 0 ADAERN Cc1cc(=O)n(-c2ccccc2O)[nH]1 38476052 571849785 /nfs/dbraw/zinc/84/97/85/571849785.db2.gz RTNRIGKGQLASIJ-UHFFFAOYSA-N 0 0 190.202 1.505 10 0 ADAERN Cc1ccccc1-c1nnc(N)n1C 28531871 571849791 /nfs/dbraw/zinc/84/97/91/571849791.db2.gz HZQBQCKDXNTRKH-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C=CC(=C)C(=O)OCC 5854471 571849793 /nfs/dbraw/zinc/84/97/93/571849793.db2.gz VCIGZCZEWQKTQR-UHFFFAOYSA-N 0 0 126.155 1.292 10 0 ADAERN C/C(=C/Cl)Cn1cnc(C#N)n1 379316483 571849891 /nfs/dbraw/zinc/84/98/91/571849891.db2.gz ZFIKDHLGTKPVBI-KXFIGUGUSA-N 0 0 182.614 1.292 10 0 ADAERN C[C@H]1C[C@](O)(C(F)(F)F)CO1 401803744 571849811 /nfs/dbraw/zinc/84/98/11/571849811.db2.gz APPWYFDPOBPDLM-CRCLSJGQSA-N 0 0 170.130 1.089 10 0 ADAERN Cc1ccc(-c2ccc[nH]c2=O)o1 38523231 571849812 /nfs/dbraw/zinc/84/98/12/571849812.db2.gz AUGPJVALRHXEON-UHFFFAOYSA-N 0 0 175.187 1.943 10 0 ADAERN [NH3+]C[C@@]1(C(=O)[O-])C[C@@H]1C1CCCC1 38523423 571849837 /nfs/dbraw/zinc/84/98/37/571849837.db2.gz MCVUJFHLBXTSGE-SCZZXKLOSA-N 0 0 183.251 1.226 10 0 ADAERN [NH3+]C[C@]1(C(=O)[O-])C[C@H]1C1CCCC1 38523424 571849851 /nfs/dbraw/zinc/84/98/51/571849851.db2.gz MCVUJFHLBXTSGE-WCBMZHEXSA-N 0 0 183.251 1.226 10 0 ADAERN C[C@@H]1O[C@H]2CCCC[C@@H]2CNC1=O 38434424 571849865 /nfs/dbraw/zinc/84/98/65/571849865.db2.gz OGQRZMHXBOBCDJ-YIZRAAEISA-N 0 0 183.251 1.080 10 0 ADAERN CCOC(=O)CC[C@@H](C)C(C)=O 5828814 571849897 /nfs/dbraw/zinc/84/98/97/571849897.db2.gz KWCNANFMHITWAH-SSDOTTSWSA-N 0 0 172.224 1.555 10 0 ADAERN CC(C)[C@@H]1CC[C@@](C)(O)[C@H]1CCO 38523512 571849898 /nfs/dbraw/zinc/84/98/98/571849898.db2.gz LAGHADHJQGJGJU-GARJFASQSA-N 0 0 186.295 1.802 10 0 ADAERN Cc1nc2c(C)nc(Cl)nc2[nH]1 38482154 571849922 /nfs/dbraw/zinc/84/99/22/571849922.db2.gz HTIXRNAPPWCDPH-UHFFFAOYSA-N 0 0 182.614 1.623 10 0 ADAERN CC[C@@H](C)[C@H](O)CCOCCOC 70028884 571852064 /nfs/dbraw/zinc/85/20/64/571852064.db2.gz HIDOIGXTQMOYCW-NXEZZACHSA-N 0 0 190.283 1.447 10 0 ADAERN CC[C@H](O)[C@H](O)C1CCCCC1 5923135 571852670 /nfs/dbraw/zinc/85/26/70/571852670.db2.gz DOEPVCQGRSSMBZ-VHSXEESVSA-N 0 0 172.268 1.699 10 0 ADAERN CC1(C)CN=C(c2ccc(N)cc2)O1 5835825 571850987 /nfs/dbraw/zinc/85/09/87/571850987.db2.gz KTZPZZHEXJYKIC-UHFFFAOYSA-N 0 0 190.246 1.824 10 0 ADAERN O[C@H]1C=Cc2cc(F)ccc2O1 38482094 571850091 /nfs/dbraw/zinc/85/00/91/571850091.db2.gz DUNUZXAWZJITBF-SECBINFHSA-N 0 0 166.151 1.550 10 0 ADAERN COC(=O)CC1(C(F)(F)F)CC1 259832650 571850098 /nfs/dbraw/zinc/85/00/98/571850098.db2.gz OPONASUSMMKJOJ-UHFFFAOYSA-N 0 0 182.141 1.892 10 0 ADAERN CC1(C)CN=C(c2cccc(N)c2)O1 5835832 571851099 /nfs/dbraw/zinc/85/10/99/571851099.db2.gz CHQXGLBDYHJHQC-UHFFFAOYSA-N 0 0 190.246 1.824 10 0 ADAERN C[C@@H]1Cc2cccc3c2N1C(=O)C3=O 5881058 571850121 /nfs/dbraw/zinc/85/01/21/571850121.db2.gz SIDQNCSHPZJDAS-ZCFIWIBFSA-N 0 0 187.198 1.161 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1nc(N)ncc1C 233920635 571851100 /nfs/dbraw/zinc/85/11/00/571851100.db2.gz BWXMZHVFONZSJZ-SFYZADRCSA-N 0 0 192.266 1.578 10 0 ADAERN CCC[C@]1(C)C(=O)CC(=O)N1C1CC1 712587939 571850172 /nfs/dbraw/zinc/85/01/72/571850172.db2.gz PGSBJLHZJUPBRC-LLVKDONJSA-N 0 0 195.262 1.509 10 0 ADAERN CCCOC(=O)[C@@H]1CCCCCCN1 301040290 571850178 /nfs/dbraw/zinc/85/01/78/571850178.db2.gz VXVYYXHCCVBWQI-JTQLQIEISA-N 0 0 199.294 1.862 10 0 ADAERN C[C@H]1C(=O)N[C@@H]1SC(C)(C)C 28540522 571850184 /nfs/dbraw/zinc/85/01/84/571850184.db2.gz WKUYOCNYKNNRPP-CAHLUQPWSA-N 0 0 173.281 1.610 10 0 ADAERN CCCCCN(C)C(C)=O 5820651 571850188 /nfs/dbraw/zinc/85/01/88/571850188.db2.gz SJDKCSDRXBBRKQ-UHFFFAOYSA-N 0 0 143.230 1.655 10 0 ADAERN Cc1cc([C@@H]2CCN2C)on1 28460734 571850209 /nfs/dbraw/zinc/85/02/09/571850209.db2.gz GOGNQFCSONPHIS-ZETCQYMHSA-N 0 0 152.197 1.360 10 0 ADAERN COC(=O)[C@]1(C)CCCC[C@H]1O 196104591 571857850 /nfs/dbraw/zinc/85/78/50/571857850.db2.gz BDKLKQIGAXNPME-VXNVDRBHSA-N 0 0 172.224 1.101 10 0 ADAERN O=Cc1cccc2c1OCC[C@H]2O 38523307 571850222 /nfs/dbraw/zinc/85/02/22/571850222.db2.gz YTSSFJMBRZCTRJ-SECBINFHSA-N 0 0 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DEBPKBTUBBZEPB-XFVKVHEMSA-N 0 0 196.290 1.554 10 0 ADAERN C[C@@](CO)(NC1CC1)C(F)(F)F 235375893 571853297 /nfs/dbraw/zinc/85/32/97/571853297.db2.gz LTEMZRDPLSMZNL-LURJTMIESA-N 0 0 183.173 1.052 10 0 ADAERN C[C@@H]1OC(=O)c2ccc(N)cc21 5930172 571853298 /nfs/dbraw/zinc/85/32/98/571853298.db2.gz WQZFMGQDYWLWQW-YFKPBYRVSA-N 0 0 163.176 1.500 10 0 ADAERN C[C@]12CCC[C@@H](O)[C@@]1(C)CCC2=O 5955550 571853301 /nfs/dbraw/zinc/85/33/01/571853301.db2.gz NMKDLFHRWGOBSA-FBIMIBRVSA-N 0 0 182.263 1.907 10 0 ADAERN CC(C)=C[C@]1(O)CO[C@@H](C)C1 401809087 571853361 /nfs/dbraw/zinc/85/33/61/571853361.db2.gz DEFQHPDLJNSZJW-DTWKUNHWSA-N 0 0 156.225 1.493 10 0 ADAERN CC[C@@H]1CSC(=S)N1 5923401 571853362 /nfs/dbraw/zinc/85/33/62/571853362.db2.gz UBKTWHKJHPIXFH-SCSAIBSYSA-N 0 0 147.268 1.386 10 0 ADAERN CC[C@@H]1CCCCN1c1nnc(N)o1 233921379 571853388 /nfs/dbraw/zinc/85/33/88/571853388.db2.gz AYBUXCZVSNVCIF-SSDOTTSWSA-N 0 0 196.254 1.421 10 0 ADAERN CCC[C@H](O)C1=CCCO1 38582260 571853393 /nfs/dbraw/zinc/85/33/93/571853393.db2.gz MKPVUYNLLITDBJ-ZETCQYMHSA-N 0 0 142.198 1.452 10 0 ADAERN CC1(C)C(=O)NC(=S)C1(C)C 38583175 571853394 /nfs/dbraw/zinc/85/33/94/571853394.db2.gz JWSVWEXDNAKPEP-UHFFFAOYSA-N 0 0 171.265 1.496 10 0 ADAERN CCC1(CC)C(=O)CC[C@@H]1CO 38583111 571853397 /nfs/dbraw/zinc/85/33/97/571853397.db2.gz NWQRBMZQDCZVQL-MRVPVSSYSA-N 0 0 170.252 1.764 10 0 ADAERN Cc1ncc(C2(O)CSC2)s1 687861398 571853400 /nfs/dbraw/zinc/85/34/00/571853400.db2.gz ZIWZHOOLQLEYEV-UHFFFAOYSA-N 0 0 187.289 1.386 10 0 ADAERN CC[C@@H]1C[C@H]1n1cncc1CO 233926710 571853402 /nfs/dbraw/zinc/85/34/02/571853402.db2.gz MLBWVBKUNOCOES-VXNVDRBHSA-N 0 0 166.224 1.346 10 0 ADAERN COc1ccc(O)c2oc(=O)ccc12 38761562 571855082 /nfs/dbraw/zinc/85/50/82/571855082.db2.gz JMPXMHUGZIIDDZ-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN C[C@H]1O[C@H]2CCCC[C@@H]2CNC1=S 38584939 571853415 /nfs/dbraw/zinc/85/34/15/571853415.db2.gz UCRASVRHRMZSBS-HLTSFMKQSA-N 0 0 199.319 1.881 10 0 ADAERN O=Cc1cc(O)cc(O)c1Cl 116994610 571853416 /nfs/dbraw/zinc/85/34/16/571853416.db2.gz HXLCTLLMSTUDSL-UHFFFAOYSA-N 0 0 172.567 1.564 10 0 ADAERN CC[C@@H](C)C(=O)CCOCCOC 70028635 571853429 /nfs/dbraw/zinc/85/34/29/571853429.db2.gz QLJDEEJCWNVDKZ-SECBINFHSA-N 0 0 188.267 1.655 10 0 ADAERN O=C1C[C@@H]2Cc3ccccc3NC2=N1 206542357 571853455 /nfs/dbraw/zinc/85/34/55/571853455.db2.gz IPCFFLKPRPYHNS-QMMMGPOBSA-N 0 0 186.214 1.600 10 0 ADAERN COc1nnc(Cl)cc1[C@H](C)O 38761414 571855086 /nfs/dbraw/zinc/85/50/86/571855086.db2.gz DEIFTQRQZVSVRQ-BYPYZUCNSA-N 0 0 188.614 1.192 10 0 ADAERN CC(=O)c1c2cccccc-2[nH]c1=O 38583860 571853491 /nfs/dbraw/zinc/85/34/91/571853491.db2.gz NCHSDYMHAWPQJP-UHFFFAOYSA-N 0 0 187.198 1.682 10 0 ADAERN CC[C@@H]1C[C@H]1N1C(=S)N=NC1CO 233925201 571853494 /nfs/dbraw/zinc/85/34/94/571853494.db2.gz CEVYHWOYBARIBN-PHDIDXHHSA-N 0 0 199.279 1.030 10 0 ADAERN CN(N=O)c1cccc(O)c1 5965865 571853603 /nfs/dbraw/zinc/85/36/03/571853603.db2.gz XFRTWRMEJVWCTE-UHFFFAOYSA-N 0 0 152.153 1.510 10 0 ADAERN C/C=C\Cn1ccc(=O)c(C)c1 379314337 571853720 /nfs/dbraw/zinc/85/37/20/571853720.db2.gz MVXOBTASZPPTAV-ARJAWSKDSA-N 0 0 163.220 1.733 10 0 ADAERN Cn1cnc([C@@H](O)C(C)(C)C)c1 38760346 571855427 /nfs/dbraw/zinc/85/54/27/571855427.db2.gz NKAVPQRWIYCSLQ-MRVPVSSYSA-N 0 0 168.240 1.500 10 0 ADAERN CC[C@H]1CCCO1 5932960 571853756 /nfs/dbraw/zinc/85/37/56/571853756.db2.gz IHMXVSZXHFTOFN-LURJTMIESA-N 0 0 100.161 1.575 10 0 ADAERN O=C1NCCc2cc3ccccc3n21 38761258 571853775 /nfs/dbraw/zinc/85/37/75/571853775.db2.gz OJSDKTLZNNFNLT-UHFFFAOYSA-N 0 0 186.214 1.755 10 0 ADAERN C[C@@H](O)CN=Nc1ccccc1 379312774 571853832 /nfs/dbraw/zinc/85/38/32/571853832.db2.gz BRDFHTZFULGPDZ-MRVPVSSYSA-N 0 0 164.208 1.465 10 0 ADAERN COc1ccc(N)c2c1CCC2=O 38671761 571853836 /nfs/dbraw/zinc/85/38/36/571853836.db2.gz KKDZJFNTQMGBSH-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN CCOC(=O)[C@@H](N)CCC1CCCC1 300719496 571853876 /nfs/dbraw/zinc/85/38/76/571853876.db2.gz AYTJJNTZSBVCHV-JTQLQIEISA-N 0 0 199.294 1.847 10 0 ADAERN CC[C@H]1C[C@H]1CO 5954526 571853904 /nfs/dbraw/zinc/85/39/04/571853904.db2.gz BGKKZLRPGJYFIP-WDSKDSINSA-N 0 0 100.161 1.025 10 0 ADAERN CCC(=O)c1cc(=O)[nH]c(=S)[nH]1 205386480 571853935 /nfs/dbraw/zinc/85/39/35/571853935.db2.gz LTWXHGJCHSTVLS-UHFFFAOYSA-N 0 0 184.220 1.025 10 0 ADAERN CCOC(=O)/C=C\c1ncccc1F 687805520 571853937 /nfs/dbraw/zinc/85/39/37/571853937.db2.gz KEUSREIRCXGIRL-WAYWQWQTSA-N 0 0 195.193 1.797 10 0 ADAERN COC(=O)[C@@H](CC(C)C)OC(C)C 261187265 571853939 /nfs/dbraw/zinc/85/39/39/571853939.db2.gz MFKMWPLMJLLTTR-SECBINFHSA-N 0 0 188.267 1.999 10 0 ADAERN C[C@@H]1OC(=O)[C@H](c2ccccc2)O1 38671789 571853941 /nfs/dbraw/zinc/85/39/41/571853941.db2.gz HTWMKNKWFMQNDQ-CBAPKCEASA-N 0 0 178.187 1.647 10 0 ADAERN CCCCCC[C@@H](NN)c1cn[nH]n1 229655897 571853948 /nfs/dbraw/zinc/85/39/48/571853948.db2.gz ZGRBUUQVORNBPL-MRVPVSSYSA-N 0 0 197.286 1.280 10 0 ADAERN CC[C@@H](C)[C@@H](O)CCOCCOC 70028888 571853956 /nfs/dbraw/zinc/85/39/56/571853956.db2.gz HIDOIGXTQMOYCW-ZJUUUORDSA-N 0 0 190.283 1.447 10 0 ADAERN CCC[C@@H](O)CCOCCOC 70028760 571853959 /nfs/dbraw/zinc/85/39/59/571853959.db2.gz DWFTXJPAYCAEIZ-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN CC[NH+](CC)C[C@@](C)(F)C(=O)OC 260980273 571853962 /nfs/dbraw/zinc/85/39/62/571853962.db2.gz NAZQSXKOFTXYRL-SECBINFHSA-N 0 0 191.246 1.229 10 0 ADAERN CNc1ccc(N)c(N)c1C 38759672 571853985 /nfs/dbraw/zinc/85/39/85/571853985.db2.gz BNDODKAUALPLKI-UHFFFAOYSA-N 0 0 151.213 1.201 10 0 ADAERN CCC(=O)C[C@@H](O)C(C)C 38759503 571853993 /nfs/dbraw/zinc/85/39/93/571853993.db2.gz ZKYXIJKEPDWBLH-MRVPVSSYSA-N 0 0 144.214 1.373 10 0 ADAERN C[C@H]1OC(=O)c2ccc(N)cc21 5929785 571854023 /nfs/dbraw/zinc/85/40/23/571854023.db2.gz WQZFMGQDYWLWQW-RXMQYKEDSA-N 0 0 163.176 1.500 10 0 ADAERN CCSCCOC 5921832 571854028 /nfs/dbraw/zinc/85/40/28/571854028.db2.gz QFUHDBWWTVDPBX-UHFFFAOYSA-N 0 0 120.217 1.386 10 0 ADAERN CC(C)[C@@H](O)C1=CCCC[C@H]1O 38671502 571855435 /nfs/dbraw/zinc/85/54/35/571855435.db2.gz VZWDBIXRRDDJPM-NXEZZACHSA-N 0 0 170.252 1.475 10 0 ADAERN C/C=C\CN1CC[S@](=O)C[C@@H]1C 379314157 571854037 /nfs/dbraw/zinc/85/40/37/571854037.db2.gz LUYDFEQYLSYLPU-RUSDJZDSSA-N 0 0 187.308 1.015 10 0 ADAERN Cc1ccc2c(c1)C[C@H](O)CO2 38760081 571854040 /nfs/dbraw/zinc/85/40/40/571854040.db2.gz LKJOFWMZYHCRAE-VIFPVBQESA-N 0 0 164.204 1.291 10 0 ADAERN CC[C@H](O)[C@@H](O)C1CCCCC1 5923169 571854048 /nfs/dbraw/zinc/85/40/48/571854048.db2.gz DOEPVCQGRSSMBZ-UWVGGRQHSA-N 0 0 172.268 1.699 10 0 ADAERN C/C=C\C(=O)N1CC[C@](C)(F)C1 379312077 571854054 /nfs/dbraw/zinc/85/40/54/571854054.db2.gz VJKAHADWDVQGJQ-TYRPZCRBSA-N 0 0 171.215 1.523 10 0 ADAERN COc1cc(O)c(Cl)cc1CO 116985121 571854057 /nfs/dbraw/zinc/85/40/57/571854057.db2.gz AENVJUIVTYQHSU-UHFFFAOYSA-N 0 0 188.610 1.547 10 0 ADAERN COCC[C@@H]1[C@@H](O)[C@@H]2[C@H]3[C@H]4C[C@@H]2[C@@H]1[C@H]43 38672456 571854062 /nfs/dbraw/zinc/85/40/62/571854062.db2.gz AWTDRKADPZPSQK-DCYOXWDFSA-N 0 0 194.274 1.142 10 0 ADAERN O=Cc1ccc2c(c1)CC=CO2 116995666 571854084 /nfs/dbraw/zinc/85/40/84/571854084.db2.gz UDUJVKCZIAGHTD-UHFFFAOYSA-N 0 0 160.172 1.948 10 0 ADAERN O=C1NCC[C@H]2Cc3ccccc3N12 38761373 571854087 /nfs/dbraw/zinc/85/40/87/571854087.db2.gz YSXKICKAYQCSFO-VIFPVBQESA-N 0 0 188.230 1.531 10 0 ADAERN Cc1cc2cscc2c(=O)[nH]1 38665514 571854091 /nfs/dbraw/zinc/85/40/91/571854091.db2.gz HMEXRLMNRBPXBQ-UHFFFAOYSA-N 0 0 165.217 1.898 10 0 ADAERN CCC[C@@]1(CC)CNC(=O)N(C)C1 38672074 571854098 /nfs/dbraw/zinc/85/40/98/571854098.db2.gz KIHUZOCAOAIZMI-JTQLQIEISA-N 0 0 184.283 1.838 10 0 ADAERN CNC(=O)c1nsc2ccccc12 38761580 571854111 /nfs/dbraw/zinc/85/41/11/571854111.db2.gz CQMLOCDKJJSFOM-UHFFFAOYSA-N 0 0 192.243 1.656 10 0 ADAERN O=Cc1cc2n(n1)-c1ccccc1C2 38672040 571854125 /nfs/dbraw/zinc/85/41/25/571854125.db2.gz IFLJTGWIOTVIRL-UHFFFAOYSA-N 0 0 184.198 1.589 10 0 ADAERN OCCSCCCC(F)F 687858771 571854128 /nfs/dbraw/zinc/85/41/28/571854128.db2.gz MPNYJTKXYGRPKF-UHFFFAOYSA-N 0 0 170.224 1.757 10 0 ADAERN CC(C)CC(=O)[C@H](O)C(C)C 38665409 571855439 /nfs/dbraw/zinc/85/54/39/571855439.db2.gz QMXYLTMVXBNDBX-SECBINFHSA-N 0 0 158.241 1.619 10 0 ADAERN Cc1ncoc1-c1nnco1 38759656 571854143 /nfs/dbraw/zinc/85/41/43/571854143.db2.gz GUCVFVFNOGWCGB-UHFFFAOYSA-N 0 0 151.125 1.033 10 0 ADAERN CCNc1nnc(-c2cccnc2)o1 38761471 571854148 /nfs/dbraw/zinc/85/41/48/571854148.db2.gz RZADHLIZNLCXLS-UHFFFAOYSA-N 0 0 190.206 1.563 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](O)CO2 38760083 571854176 /nfs/dbraw/zinc/85/41/76/571854176.db2.gz LKJOFWMZYHCRAE-SECBINFHSA-N 0 0 164.204 1.291 10 0 ADAERN CCO[C@@H](O)C(F)(F)C(C)C 38665571 571854239 /nfs/dbraw/zinc/85/42/39/571854239.db2.gz OIFFLHWFKJMOSY-ZCFIWIBFSA-N 0 0 168.183 1.633 10 0 ADAERN O=C1CCCC1(Cl)Cl 196115735 571857684 /nfs/dbraw/zinc/85/76/84/571857684.db2.gz VFVPLXRMJQPBSH-UHFFFAOYSA-N 0 0 153.008 1.913 10 0 ADAERN CCC[C@H](O)[C@H]1CCCCC1=O 38760457 571854276 /nfs/dbraw/zinc/85/42/76/571854276.db2.gz BATWHICBOTVWLT-BDAKNGLRSA-N 0 0 170.252 1.907 10 0 ADAERN CC(=O)c1cc(O)cc(C=O)c1C 38760734 571854339 /nfs/dbraw/zinc/85/43/39/571854339.db2.gz IPCOCTADUOVJNB-UHFFFAOYSA-N 0 0 178.187 1.716 10 0 ADAERN C/C=C\CNc1cn(C)nc1C 379314183 571854306 /nfs/dbraw/zinc/85/43/06/571854306.db2.gz LWRJQJBFQMPMGC-PLNGDYQASA-N 0 0 165.240 1.717 10 0 ADAERN CCc1ccnc(C)c1CO 38665272 571854346 /nfs/dbraw/zinc/85/43/46/571854346.db2.gz FRSIGPUUXXTKLB-UHFFFAOYSA-N 0 0 151.209 1.445 10 0 ADAERN Cc1ncc([C@@]2(O)CO[C@H](C)C2)s1 687861123 571854353 /nfs/dbraw/zinc/85/43/53/571854353.db2.gz XVUYWDNKAINPQS-MUWHJKNJSA-N 0 0 199.275 1.448 10 0 ADAERN CC[C@@]12C[C@H]3C[C@@H]1[C@@H]2[C@@H]3O 5909829 571854358 /nfs/dbraw/zinc/85/43/58/571854358.db2.gz PTICBKUFXYHFSY-JGKVKWKGSA-N 0 0 138.210 1.413 10 0 ADAERN CC[C@H]1C[C@](C)(C(C)=O)C(=O)O1 38665603 571854361 /nfs/dbraw/zinc/85/43/61/571854361.db2.gz DTIRQNWYXVANOB-IONNQARKSA-N 0 0 170.208 1.307 10 0 ADAERN C[C@@]12CC=C[C@]1(O)CCC2=O 38665283 571854369 /nfs/dbraw/zinc/85/43/69/571854369.db2.gz OKSFOXZGHFTYLM-IUCAKERBSA-N 0 0 152.193 1.047 10 0 ADAERN CNC(=O)[C@H](C)c1ccc(Cl)nc1 116991961 571854377 /nfs/dbraw/zinc/85/43/77/571854377.db2.gz SACROPDJVWPKRT-ZCFIWIBFSA-N 0 0 198.653 1.585 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1ccn(C)c(=O)c1 233931156 571854387 /nfs/dbraw/zinc/85/43/87/571854387.db2.gz HUUSFOAURXZVFX-LDYMZIIASA-N 0 0 193.246 1.003 10 0 ADAERN C[C@@H]1CC(=O)[C@@]2(O)CCCC[C@@H]12 38760319 571854388 /nfs/dbraw/zinc/85/43/88/571854388.db2.gz UCDRMGOESYJHJP-KHQFGBGNSA-N 0 0 168.236 1.517 10 0 ADAERN Cc1cc(=O)n(N)c2ccccc12 5959356 571854389 /nfs/dbraw/zinc/85/43/89/571854389.db2.gz BEGAHNQOHJIWTD-UHFFFAOYSA-N 0 0 174.203 1.024 10 0 ADAERN O=C1NCC[C@@H]2Cc3ccccc3N12 38761370 571854397 /nfs/dbraw/zinc/85/43/97/571854397.db2.gz YSXKICKAYQCSFO-SECBINFHSA-N 0 0 188.230 1.531 10 0 ADAERN CCC(=O)c1cc(N)ccc1N 38760085 571854401 /nfs/dbraw/zinc/85/44/01/571854401.db2.gz UOVBLNUEPMULDB-UHFFFAOYSA-N 0 0 164.208 1.444 10 0 ADAERN COc1cc(O)c(C=O)c(OC)c1C 206580236 571854409 /nfs/dbraw/zinc/85/44/09/571854409.db2.gz ATUJNYCVZLLGBG-UHFFFAOYSA-N 0 0 196.202 1.530 10 0 ADAERN CN(N=O)c1ccc(O)cc1 5965853 571854418 /nfs/dbraw/zinc/85/44/18/571854418.db2.gz OZUFCRAEDISSPP-UHFFFAOYSA-N 0 0 152.153 1.510 10 0 ADAERN CC[C@H]1SCCN1N=O 5923460 571854443 /nfs/dbraw/zinc/85/44/43/571854443.db2.gz YOCGLKQOTMSGHH-RXMQYKEDSA-N 0 0 146.215 1.453 10 0 ADAERN Cc1cn2ccnc2c(Cl)n1 38665566 571854444 /nfs/dbraw/zinc/85/44/44/571854444.db2.gz FXONOQAQNTUFFX-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN CC[C@@H]1SCCN1N=O 5954539 571854457 /nfs/dbraw/zinc/85/44/57/571854457.db2.gz YOCGLKQOTMSGHH-YFKPBYRVSA-N 0 0 146.215 1.453 10 0 ADAERN CC[C@H](C)N(COC)N=O 5924877 571854460 /nfs/dbraw/zinc/85/44/60/571854460.db2.gz PXXHIOKMQCZACP-LURJTMIESA-N 0 0 146.190 1.372 10 0 ADAERN CCC[C@@H](O)[C@@H]1CCCCC1=O 38760455 571854473 /nfs/dbraw/zinc/85/44/73/571854473.db2.gz BATWHICBOTVWLT-DTWKUNHWSA-N 0 0 170.252 1.907 10 0 ADAERN O=c1[nH]cccc1-c1ccoc1 38665460 571854480 /nfs/dbraw/zinc/85/44/80/571854480.db2.gz NSJNZTQPSFZHPH-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN Cc1ccnc(C2OCCO2)c1N 38671874 571854492 /nfs/dbraw/zinc/85/44/92/571854492.db2.gz CCUCLPDMEWSEEX-UHFFFAOYSA-N 0 0 180.207 1.018 10 0 ADAERN CC(C)[C@H](N)C(=O)c1nccs1 38672066 571854520 /nfs/dbraw/zinc/85/45/20/571854520.db2.gz BXWIFPAWDMEAHR-LURJTMIESA-N 0 0 184.264 1.309 10 0 ADAERN C/C=C/COc1ncnc2[nH]cnc12 38761469 571854527 /nfs/dbraw/zinc/85/45/27/571854527.db2.gz INJBTVHBLQYQLJ-NSCUHMNNSA-N 0 0 190.206 1.308 10 0 ADAERN CC(=O)Nc1cccc(NN)c1C 38767850 571854549 /nfs/dbraw/zinc/85/45/49/571854549.db2.gz DYUHOMHIHFGRKA-UHFFFAOYSA-N 0 0 179.223 1.239 10 0 ADAERN C[C@H]1OC(=O)c2cc(N)ccc21 5929787 571854574 /nfs/dbraw/zinc/85/45/74/571854574.db2.gz AJZKMDAYNXJZOR-RXMQYKEDSA-N 0 0 163.176 1.500 10 0 ADAERN O[C@@H](c1ccccc1)c1cccnn1 38761260 571854576 /nfs/dbraw/zinc/85/45/76/571854576.db2.gz WHJUYIYLZPKCFE-NSHDSACASA-N 0 0 186.214 1.558 10 0 ADAERN OCCCC1=CC=CC1 196106701 571854616 /nfs/dbraw/zinc/85/46/16/571854616.db2.gz DKUAKPLENQCRJO-UHFFFAOYSA-N 0 0 124.183 1.645 10 0 ADAERN C[C@@H]1OC[C@H](O)[C@@H]1CCCC(F)F 687859963 571854677 /nfs/dbraw/zinc/85/46/77/571854677.db2.gz QSWGUMWBHTXBAU-RNJXMRFFSA-N 0 0 194.221 1.818 10 0 ADAERN Cc1ncc([C@]2(O)CO[C@@H](C)C2)s1 687861121 571854688 /nfs/dbraw/zinc/85/46/88/571854688.db2.gz XVUYWDNKAINPQS-IMTBSYHQSA-N 0 0 199.275 1.448 10 0 ADAERN O[C@H]1CCC[C@H]1[C@H](O)c1ccccc1 38761587 571854691 /nfs/dbraw/zinc/85/46/91/571854691.db2.gz YFFUFLHQFTYDTQ-GRYCIOLGSA-N 0 0 192.258 1.881 10 0 ADAERN C[C@@H]1OC(=O)N[C@H]2CCCC[C@H]21 5920909 571854693 /nfs/dbraw/zinc/85/46/93/571854693.db2.gz TXSRQABALFDCOD-FXQIFTODSA-N 0 0 169.224 1.674 10 0 ADAERN OC/C=C(/Cl)c1ccccc1O 38761135 571854696 /nfs/dbraw/zinc/85/46/96/571854696.db2.gz AZWJSAUNWUVFRT-VMPITWQZSA-N 0 0 184.622 1.964 10 0 ADAERN C[C@H](O)[C@@H]1CC(C)(C)CC1=O 38665352 571854702 /nfs/dbraw/zinc/85/47/02/571854702.db2.gz ZTXGITUUHNBECE-BQBZGAKWSA-N 0 0 156.225 1.373 10 0 ADAERN CCC12C[C@H](O)CC1(C)C[C@@H](O)C2 5917961 571854710 /nfs/dbraw/zinc/85/47/10/571854710.db2.gz KIAUGXAFDSEEOB-NKVNRFPTSA-N 0 0 184.279 1.699 10 0 ADAERN CC[C@@H]1C[C@@H]1N1CN[C@@](C)(CC)C1=O 233929979 571854712 /nfs/dbraw/zinc/85/47/12/571854712.db2.gz PFWYTBSWUMARDN-YWVKMMECSA-N 0 0 196.294 1.343 10 0 ADAERN C/C=C\CN1CC[S@](=O)C[C@H]1C 379314156 571854739 /nfs/dbraw/zinc/85/47/39/571854739.db2.gz LUYDFEQYLSYLPU-CWTZTINKSA-N 0 0 187.308 1.015 10 0 ADAERN COC(=O)C[C@]1(C)CCCO1 38759976 571854759 /nfs/dbraw/zinc/85/47/59/571854759.db2.gz CGQNHENEVYVGQV-QMMMGPOBSA-N 0 0 158.197 1.119 10 0 ADAERN CC1(C)[C@H]2CC[C@](C[NH3+])(CC(=O)[O-])[C@H]21 38761801 571854790 /nfs/dbraw/zinc/85/47/90/571854790.db2.gz QDAFOWRBCRPETR-JVUFJMBOSA-N 0 0 197.278 1.472 10 0 ADAERN O[C@H]1C=C[C@H](O)c2ccccc21 6117487 571859136 /nfs/dbraw/zinc/85/91/36/571859136.db2.gz QRZINIDQKGUJSY-UWVGGRQHSA-N 0 0 162.188 1.323 10 0 ADAERN O[C@H](c1ccccc1)c1cccnn1 38761263 571854806 /nfs/dbraw/zinc/85/48/06/571854806.db2.gz WHJUYIYLZPKCFE-LLVKDONJSA-N 0 0 186.214 1.558 10 0 ADAERN Cc1nc(N)nc2cc(F)ccc12 38671753 571854820 /nfs/dbraw/zinc/85/48/20/571854820.db2.gz PVLKWKGKEVHEJF-UHFFFAOYSA-N 0 0 177.182 1.660 10 0 ADAERN C[C@H](O)[C@@H]1CCC(C)(C)C1=O 38759863 571854823 /nfs/dbraw/zinc/85/48/23/571854823.db2.gz WQTMQJKSXDRCKU-BQBZGAKWSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1nc(CCC(C)C)ncc1CO 300722800 571854862 /nfs/dbraw/zinc/85/48/62/571854862.db2.gz DKSPJYNKDONMPG-UHFFFAOYSA-N 0 0 194.278 1.866 10 0 ADAERN CCO[C@H](O)C(F)(F)C(C)C 38665570 571854865 /nfs/dbraw/zinc/85/48/65/571854865.db2.gz OIFFLHWFKJMOSY-LURJTMIESA-N 0 0 168.183 1.633 10 0 ADAERN O=C(Cc1ccc[nH]1)n1cccc1 38671622 571854868 /nfs/dbraw/zinc/85/48/68/571854868.db2.gz BTWZYYIQEGMNPH-UHFFFAOYSA-N 0 0 174.203 1.699 10 0 ADAERN CCC(C)(C)CC(=O)c1nnnn1C 687861470 571854871 /nfs/dbraw/zinc/85/48/71/571854871.db2.gz XZVLFPGXGWXPLA-UHFFFAOYSA-N 0 0 196.254 1.219 10 0 ADAERN COC(=O)C[C@@]1(C)CCCO1 38759973 571854876 /nfs/dbraw/zinc/85/48/76/571854876.db2.gz CGQNHENEVYVGQV-MRVPVSSYSA-N 0 0 158.197 1.119 10 0 ADAERN CC(C)CC(=O)n1cccn1 5907329 571854880 /nfs/dbraw/zinc/85/48/80/571854880.db2.gz JBGHDAMSQVXRAG-UHFFFAOYSA-N 0 0 152.197 1.569 10 0 ADAERN C[C@@]12CCC=C(CC1=O)C2=O 196106933 571854881 /nfs/dbraw/zinc/85/48/81/571854881.db2.gz VTRBEGJUVYYWKH-IMTBSYHQSA-N 0 0 150.177 1.111 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1c[nH]c(C)cc1=O 233930593 571854884 /nfs/dbraw/zinc/85/48/84/571854884.db2.gz NYGHDFLAAZGFLR-LDYMZIIASA-N 0 0 193.246 1.301 10 0 ADAERN CCc1c(C(=O)OC)[nH]c2c1CCC2 38761605 571854892 /nfs/dbraw/zinc/85/48/92/571854892.db2.gz ATCZIHTZRICMEU-UHFFFAOYSA-N 0 0 193.246 1.852 10 0 ADAERN CC(C)CON[C@@H]1CCOC[C@H]1C 301042281 571854893 /nfs/dbraw/zinc/85/48/93/571854893.db2.gz WWCYAGAQGPWUBC-NXEZZACHSA-N 0 0 187.283 1.589 10 0 ADAERN C[C@@H](O)[C@H]1CC(C)(C)CC1=O 38665355 571854901 /nfs/dbraw/zinc/85/49/01/571854901.db2.gz ZTXGITUUHNBECE-RNFRBKRXSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@H]1OC[C@@H](O)[C@@H]1CCCC(F)F 687859965 571854903 /nfs/dbraw/zinc/85/49/03/571854903.db2.gz QSWGUMWBHTXBAU-XLPZGREQSA-N 0 0 194.221 1.818 10 0 ADAERN CN(O)C(=O)N(C)c1ccccc1 29048809 571854911 /nfs/dbraw/zinc/85/49/11/571854911.db2.gz GSRXBOYHYVEDAZ-UHFFFAOYSA-N 0 0 180.207 1.564 10 0 ADAERN C[C@H](C(=O)c1nnnn1C)C(C)(C)C 687860710 571854924 /nfs/dbraw/zinc/85/49/24/571854924.db2.gz VGWWRMLJZVGCNR-ZCFIWIBFSA-N 0 0 196.254 1.075 10 0 ADAERN CCc1cnn2c(NC)nc(C)nc12 38672325 571854926 /nfs/dbraw/zinc/85/49/26/571854926.db2.gz JMLMJPIAKZEALJ-UHFFFAOYSA-N 0 0 191.238 1.037 10 0 ADAERN CC[C@@H](O)[C@H](O)C1CCCCC1 5925866 571854927 /nfs/dbraw/zinc/85/49/27/571854927.db2.gz DOEPVCQGRSSMBZ-NXEZZACHSA-N 0 0 172.268 1.699 10 0 ADAERN O=C1CC[C@@H]2C(=O)CCC[C@H]12 206547319 571854984 /nfs/dbraw/zinc/85/49/84/571854984.db2.gz HKZYCARSPJWAFK-BQBZGAKWSA-N 0 0 152.193 1.335 10 0 ADAERN O=C(Nc1ccccc1)SCCO 5933918 571854954 /nfs/dbraw/zinc/85/49/54/571854954.db2.gz WYENFOLZWFFYQG-UHFFFAOYSA-N 0 0 197.259 1.944 10 0 ADAERN CCCc1cc(C)ncc1CO 38665519 571854956 /nfs/dbraw/zinc/85/49/56/571854956.db2.gz XERYEGJDEMOXLX-UHFFFAOYSA-N 0 0 165.236 1.835 10 0 ADAERN CCCc1nccc(C)c1CO 38665518 571854960 /nfs/dbraw/zinc/85/49/60/571854960.db2.gz XEEWYKUBFYVOBW-UHFFFAOYSA-N 0 0 165.236 1.835 10 0 ADAERN CC(=O)c1nonc1-n1cccc1 38844103 571856715 /nfs/dbraw/zinc/85/67/15/571856715.db2.gz GHGZXKVMPWWGFE-UHFFFAOYSA-N 0 0 177.163 1.063 10 0 ADAERN [NH3+]Cc1cccc(Cl)c1C(=O)[O-] 38761183 571855128 /nfs/dbraw/zinc/85/51/28/571855128.db2.gz WVFBDMDEDAUCIX-UHFFFAOYSA-N 0 0 185.610 1.497 10 0 ADAERN Cc1ccc2sn(N)c(=O)c2c1 38760870 571855137 /nfs/dbraw/zinc/85/51/37/571855137.db2.gz XCMGSGLZPNSQSW-UHFFFAOYSA-N 0 0 180.232 1.085 10 0 ADAERN C[C@H](O)[C@H]1CC(C)(C)CC1=O 38665354 571855148 /nfs/dbraw/zinc/85/51/48/571855148.db2.gz ZTXGITUUHNBECE-NKWVEPMBSA-N 0 0 156.225 1.373 10 0 ADAERN C/C=C(\C)C(=O)N1CC(C)(F)C1 379313219 571855103 /nfs/dbraw/zinc/85/51/03/571855103.db2.gz FWXNJPKBXRMHAN-QPJJXVBHSA-N 0 0 171.215 1.523 10 0 ADAERN C[C@H]1OC(=O)N[C@H]2CCCC[C@@H]21 5920139 571855106 /nfs/dbraw/zinc/85/51/06/571855106.db2.gz TXSRQABALFDCOD-PRJMDXOYSA-N 0 0 169.224 1.674 10 0 ADAERN CC[C@@H](C)CCCC(N)=O 5922101 571855108 /nfs/dbraw/zinc/85/51/08/571855108.db2.gz PVDIWSSUJZTYJS-SSDOTTSWSA-N 0 0 143.230 1.688 10 0 ADAERN Cc1cc2cc(O)ccc2[nH]c1=O 38788630 571855120 /nfs/dbraw/zinc/85/51/20/571855120.db2.gz WSWXKTAUERXNAO-UHFFFAOYSA-N 0 0 175.187 1.542 10 0 ADAERN Cn1cnc([C@H](O)C(C)(C)C)c1 38760349 571855218 /nfs/dbraw/zinc/85/52/18/571855218.db2.gz NKAVPQRWIYCSLQ-QMMMGPOBSA-N 0 0 168.240 1.500 10 0 ADAERN CCC[C@@H](O)[C@H]1CCCCC1=O 38760459 571855227 /nfs/dbraw/zinc/85/52/27/571855227.db2.gz BATWHICBOTVWLT-RKDXNWHRSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H](C(=O)c1nnnn1C)C(C)(C)C 687860709 571855228 /nfs/dbraw/zinc/85/52/28/571855228.db2.gz VGWWRMLJZVGCNR-LURJTMIESA-N 0 0 196.254 1.075 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1cncn1C 233931313 571856724 /nfs/dbraw/zinc/85/67/24/571856724.db2.gz MWSOVLSEPIMACP-APPZFPTMSA-N 0 0 166.224 1.038 10 0 ADAERN COc1ccnc(SC)n1 6019365 571856726 /nfs/dbraw/zinc/85/67/26/571856726.db2.gz GXCMABRXUXDVMW-UHFFFAOYSA-N 0 0 156.210 1.207 10 0 ADAERN CC(C)[C@H]1CC[C@H](C)[C@@H](O)[C@H]1O 6037653 571857193 /nfs/dbraw/zinc/85/71/93/571857193.db2.gz WQFGPARDTSBVLU-JLIMGVALSA-N 0 0 172.268 1.410 10 0 in-man ADAERN C[C@@H](O)[C@@H]1CC(C)(C)CC1=O 38665353 571855250 /nfs/dbraw/zinc/85/52/50/571855250.db2.gz ZTXGITUUHNBECE-RQJHMYQMSA-N 0 0 156.225 1.373 10 0 ADAERN COc1nnc(Cl)cc1[C@@H](C)O 38761416 571855274 /nfs/dbraw/zinc/85/52/74/571855274.db2.gz DEIFTQRQZVSVRQ-SCSAIBSYSA-N 0 0 188.614 1.192 10 0 ADAERN CCC[C@@H]1SCC[C@@H]1O 38809967 571857198 /nfs/dbraw/zinc/85/71/98/571857198.db2.gz LYGCBEUFROSAOA-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN CC[C@@H]1C[C@@H]1CO 5923418 571855326 /nfs/dbraw/zinc/85/53/26/571855326.db2.gz BGKKZLRPGJYFIP-PHDIDXHHSA-N 0 0 100.161 1.025 10 0 ADAERN CC12CCC(CC1)[C@@H](O)C2 5964014 571855331 /nfs/dbraw/zinc/85/53/31/571855331.db2.gz GYQGRWBWGMJRJY-MGURRDGZSA-N 0 0 140.226 1.948 10 0 ADAERN Cn1c(=S)[nH]c2cnsc21 38810237 571857201 /nfs/dbraw/zinc/85/72/01/571857201.db2.gz JFWYKXKFCKWCHX-UHFFFAOYSA-N 0 0 171.250 1.692 10 0 ADAERN O=c1[nH]cccc1-c1ccccn1 38810246 571857203 /nfs/dbraw/zinc/85/72/03/571857203.db2.gz MVRRNXSBPWPQBL-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN C[C@@H]1OC[C@H](O)[C@H]1CCCC(F)F 687859961 571855369 /nfs/dbraw/zinc/85/53/69/571855369.db2.gz QSWGUMWBHTXBAU-FXQIFTODSA-N 0 0 194.221 1.818 10 0 ADAERN Cc1cc(C)c2c(c1N)OCCC2=O 38761536 571855376 /nfs/dbraw/zinc/85/53/76/571855376.db2.gz LNCXRRHGPKVEDQ-UHFFFAOYSA-N 0 0 191.230 1.851 10 0 ADAERN O[C@H]1CCCC2=CCC[C@@H](O)[C@H]21 38760317 571855390 /nfs/dbraw/zinc/85/53/90/571855390.db2.gz UNBZKMFCSKZQKI-UTLUCORTSA-N 0 0 168.236 1.229 10 0 ADAERN CCNC(=O)OC[C@H](C)CC 144475592 571855454 /nfs/dbraw/zinc/85/54/54/571855454.db2.gz ZAEUJRJKFMLUMX-SSDOTTSWSA-N 0 0 159.229 1.779 10 0 ADAERN CC[C@@H](C)[C@H](C)n1cnc(CO)c1 300722161 571855461 /nfs/dbraw/zinc/85/54/61/571855461.db2.gz DELWAKOAHLBBIK-BDAKNGLRSA-N 0 0 182.267 1.983 10 0 ADAERN CNC(=O)[C@@H]1C=CCCC1 5914050 571855481 /nfs/dbraw/zinc/85/54/81/571855481.db2.gz 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/nfs/dbraw/zinc/85/82/59/571858259.db2.gz OUEBAIFFOZTZEO-ZETCQYMHSA-N 0 0 195.218 1.102 10 0 ADAERN CSCO[C@@H]1CCCC[C@H]1O 196108879 571858260 /nfs/dbraw/zinc/85/82/60/571858260.db2.gz DXJPKQWFJWSEQO-HTQZYQBOSA-N 0 0 176.281 1.627 10 0 ADAERN OCCc1cccc(C2OCCO2)c1 38812021 571858261 /nfs/dbraw/zinc/85/82/61/571858261.db2.gz IHHOIIZOIFNWQZ-UHFFFAOYSA-N 0 0 194.230 1.267 10 0 ADAERN CC[C@@H]1CC[C@H](C2=NCC(=O)N2)C1 233932787 571858269 /nfs/dbraw/zinc/85/82/69/571858269.db2.gz FGTRBLVWOYTHCI-SFYZADRCSA-N 0 0 180.251 1.341 10 0 ADAERN CO[C@]1(C)C(OC(C)(C)C)=C[C@@H]1O 38810523 571858270 /nfs/dbraw/zinc/85/82/70/571858270.db2.gz FUQYOSIMZGOMQT-XVKPBYJWSA-N 0 0 186.251 1.465 10 0 ADAERN OC[C@H]1N=CO[C@H]1c1ccccc1 196106181 571858320 /nfs/dbraw/zinc/85/83/20/571858320.db2.gz QHUBBHOHWSXHHZ-ZJUUUORDSA-N 0 0 177.203 1.147 10 0 ADAERN CC(=O)NC(=O)C1=CCCCC1 38810182 571858332 /nfs/dbraw/zinc/85/83/32/571858332.db2.gz LECIYSDOSPOFGS-UHFFFAOYSA-N 0 0 167.208 1.150 10 0 ADAERN COC(OC)[C@@H]1CCCC[C@H]1O 38810293 571858364 /nfs/dbraw/zinc/85/83/64/571858364.db2.gz VDFSSPXUFRSERF-HTQZYQBOSA-N 0 0 174.240 1.156 10 0 ADAERN COC(=O)CN[C@@H]1C[C@H]2CC[C@H](C2)C1 711002366 571858409 /nfs/dbraw/zinc/85/84/09/571858409.db2.gz QMUUFXJFULKNQK-MYJAWHEDSA-N 0 0 197.278 1.328 10 0 ADAERN CSCO[C@H]1CCCC[C@@H]1O 196108871 571858416 /nfs/dbraw/zinc/85/84/16/571858416.db2.gz DXJPKQWFJWSEQO-YUMQZZPRSA-N 0 0 176.281 1.627 10 0 ADAERN CC(C)[NH+](CO)C(C)C 38881445 571859560 /nfs/dbraw/zinc/85/95/60/571859560.db2.gz SENWJMFVQPVXLJ-UHFFFAOYSA-N 0 0 131.219 1.055 10 0 ADAERN [NH3+]Cc1ccc(Cl)cc1C(=O)[O-] 38810498 571858474 /nfs/dbraw/zinc/85/84/74/571858474.db2.gz ATYKFZPYPABAPV-UHFFFAOYSA-N 0 0 185.610 1.497 10 0 ADAERN Cc1ncc(C(C)C)[nH]c1=O 38842479 571858507 /nfs/dbraw/zinc/85/85/07/571858507.db2.gz DRMJVADFOVCKSF-UHFFFAOYSA-N 0 0 152.197 1.202 10 0 ADAERN CCC(=O)c1cc(N(C)C)ccc1N 38811989 571858525 /nfs/dbraw/zinc/85/85/25/571858525.db2.gz UQBFOIOVQPBGNK-UHFFFAOYSA-N 0 0 192.262 1.928 10 0 ADAERN CC[C@@H]1[C@@H]2C=CC[C@@H]2[C@@H]1O 38809895 571858528 /nfs/dbraw/zinc/85/85/28/571858528.db2.gz OVOZREFWXDRSFN-RYPBNFRJSA-N 0 0 138.210 1.579 10 0 ADAERN C[Si](C)(CCO)CCCO 196105334 571858565 /nfs/dbraw/zinc/85/85/65/571858565.db2.gz FFWJOUROYQWDJH-UHFFFAOYSA-N 0 0 162.305 1.070 10 0 ADAERN CCC[n+]1ccc(OC)c([O-])c1C 38810394 571858566 /nfs/dbraw/zinc/85/85/66/571858566.db2.gz OLYVRRFGPKLNLH-UHFFFAOYSA-O 0 0 182.243 1.407 10 0 ADAERN CN[C@@H](C)c1nnc(NCC2CC2)o1 234441656 571858581 /nfs/dbraw/zinc/85/85/81/571858581.db2.gz DDEUBVQOPKUDEQ-LURJTMIESA-N 0 0 196.254 1.172 10 0 ADAERN CC(=O)OCc1nc(C)c(C)nc1C 38812060 571858582 /nfs/dbraw/zinc/85/85/82/571858582.db2.gz ANFZDGQJMXVAEI-UHFFFAOYSA-N 0 0 194.234 1.465 10 0 ADAERN CNc1ccc2oc(=O)ccc2c1 38810308 571858594 /nfs/dbraw/zinc/85/85/94/571858594.db2.gz GLPFKLSDVORDDT-UHFFFAOYSA-N 0 0 175.187 1.835 10 0 ADAERN CN(C)c1c(-c2ccccc2)c1=O 206604653 571858609 /nfs/dbraw/zinc/85/86/09/571858609.db2.gz GRWHEHKUIGJBKG-UHFFFAOYSA-N 0 0 173.215 1.655 10 0 ADAERN COC(OC)[C@@H]1CCCC[C@@H]1O 38810291 571858616 /nfs/dbraw/zinc/85/86/16/571858616.db2.gz VDFSSPXUFRSERF-SFYZADRCSA-N 0 0 174.240 1.156 10 0 ADAERN CC(C)(C)NC(=S)c1cccnn1 38844060 571858622 /nfs/dbraw/zinc/85/86/22/571858622.db2.gz BPZZKYKXCWDGBI-UHFFFAOYSA-N 0 0 195.291 1.540 10 0 ADAERN C=C(c1cocn1)c1cocn1 38810118 571858627 /nfs/dbraw/zinc/85/86/27/571858627.db2.gz BGACBTOFUNSTLK-UHFFFAOYSA-N 0 0 162.148 1.724 10 0 ADAERN CCCC[C@H](O)[C@@H]1O[C@H]1C 38809940 571858635 /nfs/dbraw/zinc/85/86/35/571858635.db2.gz SEHZTEMYUSPLDG-BIIVOSGPSA-N 0 0 144.214 1.325 10 0 ADAERN CSCO[C@H]1CCCC[C@H]1O 196108887 571858675 /nfs/dbraw/zinc/85/86/75/571858675.db2.gz DXJPKQWFJWSEQO-SFYZADRCSA-N 0 0 176.281 1.627 10 0 ADAERN CC[C@@H](O)C1=CC12OCC(C)(C)CO2 38812145 571858676 /nfs/dbraw/zinc/85/86/76/571858676.db2.gz OPSAUKOPMKVINH-SECBINFHSA-N 0 0 198.262 1.467 10 0 ADAERN C[C@H]1C[C@@H](c2ccccc2)NC1=O 196115149 571858710 /nfs/dbraw/zinc/85/87/10/571858710.db2.gz KNSQRZWCARGZJF-WPRPVWTQSA-N 0 0 175.231 1.884 10 0 ADAERN CC(=O)n1sc2ccccc2c1=O 38841760 571858711 /nfs/dbraw/zinc/85/87/11/571858711.db2.gz BVLFEFBRYAASRQ-UHFFFAOYSA-N 0 0 193.227 1.723 10 0 ADAERN CCc1nc(C)oc1CO 196109468 571858768 /nfs/dbraw/zinc/85/87/68/571858768.db2.gz UIOHIXVLLLXYGJ-UHFFFAOYSA-N 0 0 141.170 1.038 10 0 ADAERN CN1Cc2ccc(C3(O)CC3)cc2C1 214565317 571858789 /nfs/dbraw/zinc/85/87/89/571858789.db2.gz YZCSBFGOTXVFLV-UHFFFAOYSA-N 0 0 189.258 1.613 10 0 ADAERN CN[C@@H](CC(C)(C)OC)C(F)(F)F 234440902 571858811 /nfs/dbraw/zinc/85/88/11/571858811.db2.gz NKJNTYXTYVIQQS-LURJTMIESA-N 0 0 199.216 1.952 10 0 ADAERN ONc1ccc(F)cc1 6093078 571858813 /nfs/dbraw/zinc/85/88/13/571858813.db2.gz YQSLFHVIKKSCEM-UHFFFAOYSA-N 0 0 127.118 1.627 10 0 in-vitro ADAERN CC1(C)OCC[C@]2(C)CC(=O)[C@H]12 196118865 571858821 /nfs/dbraw/zinc/85/88/21/571858821.db2.gz RYVHOZZVNCWOHU-PSASIEDQSA-N 0 0 168.236 1.781 10 0 ADAERN CCOC1=N[C@H]2CCCC[C@@H]2N1 6155118 571861282 /nfs/dbraw/zinc/86/12/82/571861282.db2.gz GSNANURCQIKKGZ-YUMQZZPRSA-N 0 0 168.240 1.293 10 0 ADAERN COC(=O)[C@@]1(C)CCCC[C@H]1O 196104583 571858883 /nfs/dbraw/zinc/85/88/83/571858883.db2.gz BDKLKQIGAXNPME-APPZFPTMSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@@H]1C[C@H](c2ccccc2)NC1=O 196115116 571858897 /nfs/dbraw/zinc/85/88/97/571858897.db2.gz KNSQRZWCARGZJF-PSASIEDQSA-N 0 0 175.231 1.884 10 0 ADAERN C[C@@]12CC[C@@H](CC1=O)C[C@H]2O 196104120 571858905 /nfs/dbraw/zinc/85/89/05/571858905.db2.gz WYOBGMZWWQBOIE-BHNWBGBOSA-N 0 0 154.209 1.127 10 0 ADAERN CC1=C(CCO)CCC2(C1)OCCO2 38866550 571859581 /nfs/dbraw/zinc/85/95/81/571859581.db2.gz KFDISBWYVLPMDJ-UHFFFAOYSA-N 0 0 198.262 1.612 10 0 ADAERN CN(C)C(=O)N[C@@H]1C[C@H]2CCCC[C@H]21 712612121 571858925 /nfs/dbraw/zinc/85/89/25/571858925.db2.gz CZAQOZUGAHRCKE-OPRDCNLKSA-N 0 0 196.294 1.836 10 0 ADAERN CC(=O)c1cccc2c1CN(C)CC2 214571422 571858960 /nfs/dbraw/zinc/85/89/60/571858960.db2.gz KSIHGDGIONSIEA-UHFFFAOYSA-N 0 0 189.258 1.877 10 0 ADAERN C[Si](C)(C)[C@@H]1CCCC(=O)NC1 196102132 571859061 /nfs/dbraw/zinc/85/90/61/571859061.db2.gz YTNGVINVDWWDBU-MRVPVSSYSA-N 0 0 185.343 1.995 10 0 ADAERN CC[C@H](O)[C@H]1O[C@H]1c1ccccc1 196101105 571858966 /nfs/dbraw/zinc/85/89/66/571858966.db2.gz BFTKXZFKFSJTOL-GARJFASQSA-N 0 0 178.231 1.897 10 0 ADAERN O=c1ccc2cocc2cc1 6095054 571859041 /nfs/dbraw/zinc/85/90/41/571859041.db2.gz UDTGOPLYKGNTOA-UHFFFAOYSA-N 0 0 146.145 1.793 10 0 ADAERN C[C@H]1CCC(=O)CC12OCCO2 196109226 571859043 /nfs/dbraw/zinc/85/90/43/571859043.db2.gz HFMFSKLREVRTSS-ZETCQYMHSA-N 0 0 170.208 1.119 10 0 ADAERN C[C@H](CO)[Si](C)(C)C(C)(C)O 196105022 571859007 /nfs/dbraw/zinc/85/90/07/571859007.db2.gz YVYKMPSJQUSNRE-SSDOTTSWSA-N 0 0 176.332 1.387 10 0 ADAERN CC(C)=CCCC(=O)CO 138948260 571859101 /nfs/dbraw/zinc/85/91/01/571859101.db2.gz LRLSRLTVKGUFAY-UHFFFAOYSA-N 0 0 142.198 1.294 10 0 ADAERN CC(=C1CC1)[C@H](C)O 196104555 571859103 /nfs/dbraw/zinc/85/91/03/571859103.db2.gz AIPMLKATKUWEOO-LURJTMIESA-N 0 0 112.172 1.478 10 0 ADAERN CC[C@@H]1CC(O)C[C@@H](CC)O1 196119049 571859130 /nfs/dbraw/zinc/85/91/30/571859130.db2.gz JDVQVGFSYFOHBY-RKDXNWHRSA-N 0 0 158.241 1.715 10 0 ADAERN CCOC(=O)Nc1cc(C)nc(C)n1 38888029 571859171 /nfs/dbraw/zinc/85/91/71/571859171.db2.gz FTZJKNBQCHGGNC-UHFFFAOYSA-N 0 0 195.222 1.662 10 0 ADAERN O[C@H]1C=C[C@@H](O)c2ccccc21 6117437 571859180 /nfs/dbraw/zinc/85/91/80/571859180.db2.gz QRZINIDQKGUJSY-AOOOYVTPSA-N 0 0 162.188 1.323 10 0 ADAERN Cc1cccccc1=O 6071977 571859588 /nfs/dbraw/zinc/85/95/88/571859588.db2.gz BGVBGLVINIPULX-UHFFFAOYSA-N 0 0 120.151 1.355 10 0 ADAERN CC(C)[C@@H]1SCC[C@@H]1O 38864566 571859220 /nfs/dbraw/zinc/85/92/20/571859220.db2.gz YRSVLBJDQCGDGH-BQBZGAKWSA-N 0 0 146.255 1.509 10 0 ADAERN CN[C@H](CC(C)(C)OC)C(F)F 234441801 571859245 /nfs/dbraw/zinc/85/92/45/571859245.db2.gz KJDFINRABCGCLD-ZCFIWIBFSA-N 0 0 181.226 1.655 10 0 ADAERN C[C@@H](CO)Cc1ccncc1 38874913 571859259 /nfs/dbraw/zinc/85/92/59/571859259.db2.gz WIKBVKJZIZSPLL-MRVPVSSYSA-N 0 0 151.209 1.253 10 0 ADAERN N#COc1cccc(O)c1 138915361 571859265 /nfs/dbraw/zinc/85/92/65/571859265.db2.gz QOPFJRFPSMPCEA-UHFFFAOYSA-N 0 0 135.122 1.252 10 0 ADAERN O[C@@H](CF)CC1SCCCS1 38856398 571859295 /nfs/dbraw/zinc/85/92/95/571859295.db2.gz ZIPWPCWZSIPKLJ-ZCFIWIBFSA-N 0 0 196.312 1.903 10 0 ADAERN C[C@@H]1C[C@@H](c2ccccc2)NC1=O 196115137 571859312 /nfs/dbraw/zinc/85/93/12/571859312.db2.gz KNSQRZWCARGZJF-SCZZXKLOSA-N 0 0 175.231 1.884 10 0 ADAERN O=C1[C@H]2CCC[C@@H]1CC[C@H]2O 38864764 571859321 /nfs/dbraw/zinc/85/93/21/571859321.db2.gz DXCDASFNJFCEFP-GJMOJQLCSA-N 0 0 154.209 1.127 10 0 ADAERN COC(=O)[C@]1(C)CCCC[C@@H]1O 196104574 571859343 /nfs/dbraw/zinc/85/93/43/571859343.db2.gz BDKLKQIGAXNPME-IONNQARKSA-N 0 0 172.224 1.101 10 0 ADAERN CC1(C)C[C@@H]1[NH+]1CCOCC1 38886097 571859354 /nfs/dbraw/zinc/85/93/54/571859354.db2.gz BOQDKJDUJBQLPZ-QMMMGPOBSA-N 0 0 155.241 1.117 10 0 ADAERN COc1cc(CO)c2c(c1)CCCO2 38866285 571859927 /nfs/dbraw/zinc/85/99/27/571859927.db2.gz BBIWJOQCHYDGKO-UHFFFAOYSA-N 0 0 194.230 1.513 10 0 ADAERN Cc1cccc(CC(=O)CCCO)c1 235766948 571861335 /nfs/dbraw/zinc/86/13/35/571861335.db2.gz NBGAPKSKDVVJKM-UHFFFAOYSA-N 0 0 192.258 1.879 10 0 ADAERN C[C@H]1CCc2cc(=O)ccn2C1 38865023 571859406 /nfs/dbraw/zinc/85/94/06/571859406.db2.gz WPRGODZBWYIQTB-QMMMGPOBSA-N 0 0 163.220 1.431 10 0 ADAERN CC1(OC(N)=O)CCCCC1 38863850 571859429 /nfs/dbraw/zinc/85/94/29/571859429.db2.gz AKIHTGIGOHBKGE-UHFFFAOYSA-N 0 0 157.213 1.805 10 0 ADAERN COCCCCCNc1ccncn1 234654987 571859441 /nfs/dbraw/zinc/85/94/41/571859441.db2.gz CRZULVWRVAIWIM-UHFFFAOYSA-N 0 0 195.266 1.705 10 0 ADAERN COC(=O)c1ccc(CNO)cc1F 234654906 571859469 /nfs/dbraw/zinc/85/94/69/571859469.db2.gz XHNXOZTZNJQKNS-UHFFFAOYSA-N 0 0 199.181 1.091 10 0 ADAERN C=C=C1COc2ccccc2[C@H]1O 38863371 571859471 /nfs/dbraw/zinc/85/94/71/571859471.db2.gz VMCGUJXMKMYDJG-NSHDSACASA-N 0 0 174.199 1.824 10 0 ADAERN C/C=C(/CO)[Si](C)(C)C 196108397 571859485 /nfs/dbraw/zinc/85/94/85/571859485.db2.gz YKIUVZCAFDSFTF-ALCCZGGFSA-N 0 0 144.290 1.802 10 0 ADAERN CC(=C1CC1)[C@@H](C)O 196104564 571859492 /nfs/dbraw/zinc/85/94/92/571859492.db2.gz AIPMLKATKUWEOO-ZCFIWIBFSA-N 0 0 112.172 1.478 10 0 ADAERN NC(=O)OC/C=C\c1ccccc1 111328205 571859493 /nfs/dbraw/zinc/85/94/93/571859493.db2.gz LXKLUWFIBVXFGX-DAXSKMNVSA-N 0 0 177.203 1.795 10 0 ADAERN CCC[NH2+]Cc1cncnc1CCC 300723659 571859498 /nfs/dbraw/zinc/85/94/98/571859498.db2.gz DURNSNQCPARIEE-UHFFFAOYSA-N 0 0 193.294 1.929 10 0 ADAERN CCC1(CC)CC[C@@H](O)O1 38863838 571859528 /nfs/dbraw/zinc/85/95/28/571859528.db2.gz YSIRCTKQVOMGMU-ZETCQYMHSA-N 0 0 144.214 1.674 10 0 ADAERN CC(=O)[C@]12C[C@H](CO)[C@@H]1[C@H]1C=C[C@@H]12 196115793 571859517 /nfs/dbraw/zinc/85/95/17/571859517.db2.gz CFYFCBJJMVBSRT-KJPMQGKISA-N 0 0 178.231 1.006 10 0 ADAERN N#[N+]c1ccccc1[O-] 6095482 571859615 /nfs/dbraw/zinc/85/96/15/571859615.db2.gz RXTHAGCVCGSZLO-UHFFFAOYSA-O 0 0 121.119 1.877 10 0 ADAERN C/C(Br)=C/CCO 38865053 571859620 /nfs/dbraw/zinc/85/96/20/571859620.db2.gz NWXLITMIHZPPQN-HYXAFXHYSA-N 0 0 165.030 1.668 10 0 ADAERN CC(C)=C[C@@H](C)CCO 196116568 571859622 /nfs/dbraw/zinc/85/96/22/571859622.db2.gz JGSIJSNGKCFPEA-QMMMGPOBSA-N 0 0 128.215 1.971 10 0 ADAERN CC1(C)c2ccccc2C(=O)[C@@H]1O 196101764 571859625 /nfs/dbraw/zinc/85/96/25/571859625.db2.gz ZYLHGPHDTFANBL-JTQLQIEISA-N 0 0 176.215 1.521 10 0 ADAERN CC1(C)NN1C(=O)Nc1ccccc1 38886656 571859630 /nfs/dbraw/zinc/85/96/30/571859630.db2.gz VTIQTPMTQVFIJP-UHFFFAOYSA-N 0 0 191.234 1.775 10 0 ADAERN CCc1occc1[C@@H]([NH3+])[C@@H]1CCOC1 234250476 571859641 /nfs/dbraw/zinc/85/96/41/571859641.db2.gz RLSOLURIOWICOF-KCJUWKMLSA-N 0 0 195.262 1.878 10 0 ADAERN O=c1[nH]nc2ccc3ccccc3n12 6118634 571859686 /nfs/dbraw/zinc/85/96/86/571859686.db2.gz OGRIQXCIIAIROA-UHFFFAOYSA-N 0 0 185.186 1.176 10 0 ADAERN CCN(CC)c1cccccc1=O 196102083 571859691 /nfs/dbraw/zinc/85/96/91/571859691.db2.gz BVUJBJACPZUOLS-UHFFFAOYSA-N 0 0 177.247 1.893 10 0 ADAERN CC1(C)OCC[C@]2(C)CC(=O)[C@@H]12 196118858 571859716 /nfs/dbraw/zinc/85/97/16/571859716.db2.gz RYVHOZZVNCWOHU-WCBMZHEXSA-N 0 0 168.236 1.781 10 0 ADAERN CCC1(CC)CN(C)C(=O)O1 138913966 571859717 /nfs/dbraw/zinc/85/97/17/571859717.db2.gz YKZHLEBIOPEIGR-UHFFFAOYSA-N 0 0 157.213 1.627 10 0 ADAERN CC(=O)[C@@H]1CCCC12OCCO2 38865211 571861292 /nfs/dbraw/zinc/86/12/92/571861292.db2.gz DLYNVAVICIRXAM-QMMMGPOBSA-N 0 0 170.208 1.119 10 0 ADAERN Cc1cn(C)c(=O)c2cc[nH]c12 38881022 571859770 /nfs/dbraw/zinc/85/97/70/571859770.db2.gz COWKSGCPISCQKD-UHFFFAOYSA-N 0 0 162.192 1.175 10 0 ADAERN CCc1cnc2c(Cl)nccn12 38865637 571859774 /nfs/dbraw/zinc/85/97/74/571859774.db2.gz WXIOXUHFXCHJFM-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN O=C1C[C@H](SCc2ccccc2)N1 138924076 571859788 /nfs/dbraw/zinc/85/97/88/571859788.db2.gz NRMRKNIZQFGJNM-JTQLQIEISA-N 0 0 193.271 1.766 10 0 ADAERN CC(C)N(N)c1ccccc1 38886669 571859797 /nfs/dbraw/zinc/85/97/97/571859797.db2.gz BBKJMHUSPDZBDB-UHFFFAOYSA-N 0 0 150.225 1.775 10 0 ADAERN CCN1C(=O)Oc2ccccc2[C@@H]1O 38866235 571859801 /nfs/dbraw/zinc/85/98/01/571859801.db2.gz CDCSSQFVUSHQIW-VIFPVBQESA-N 0 0 193.202 1.512 10 0 ADAERN CCCC[C@@H]1C=C[C@@](C)(O)C[C@@H]1O 196117975 571859815 /nfs/dbraw/zinc/85/98/15/571859815.db2.gz OOAPXUCAUUVICA-OUAUKWLOSA-N 0 0 184.279 1.865 10 0 ADAERN C[C@@H]1CCC(=O)CC12OCCO2 196109215 571859832 /nfs/dbraw/zinc/85/98/32/571859832.db2.gz HFMFSKLREVRTSS-SSDOTTSWSA-N 0 0 170.208 1.119 10 0 ADAERN CC[C@H]1CC(O)C[C@H](CC)O1 196119042 571859835 /nfs/dbraw/zinc/85/98/35/571859835.db2.gz JDVQVGFSYFOHBY-IUCAKERBSA-N 0 0 158.241 1.715 10 0 ADAERN c1ncc2nnn(C3CCCC3)c2n1 6091514 571859846 /nfs/dbraw/zinc/85/98/46/571859846.db2.gz VUJBWUXUGNJDLN-UHFFFAOYSA-N 0 0 189.222 1.336 10 0 ADAERN CCC(C)(C)Cn1cnc(CO)c1 300727826 571859848 /nfs/dbraw/zinc/85/98/48/571859848.db2.gz GVHSSKKGOHHRAA-UHFFFAOYSA-N 0 0 182.267 1.812 10 0 ADAERN O=c1nccc(NC2=CCCC2)[nH]1 6119094 571859849 /nfs/dbraw/zinc/85/98/49/571859849.db2.gz OUANYDIRIBYXIN-UHFFFAOYSA-N 0 0 177.207 1.250 10 0 ADAERN OC[C@@H]1N=CO[C@@H]1c1ccccc1 196106157 571859866 /nfs/dbraw/zinc/85/98/66/571859866.db2.gz 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/nfs/dbraw/zinc/85/99/72/571859972.db2.gz XDRBZOMOHKROJE-TXEJJXNPSA-N 0 0 189.258 1.973 10 0 ADAERN CCc1cc(=O)c2ccc(C)nc2[nH]1 196104873 571859987 /nfs/dbraw/zinc/85/99/87/571859987.db2.gz MJMVTPBOKWMIFT-UHFFFAOYSA-N 0 0 188.230 1.794 10 0 ADAERN CO[C@H]1OCCc2occc21 38864726 571859988 /nfs/dbraw/zinc/85/99/88/571859988.db2.gz JTXPLBDDOOUDCC-QMMMGPOBSA-N 0 0 154.165 1.497 10 0 ADAERN Cc1ccc2c(=O)ccoc2c1N 38865411 571860835 /nfs/dbraw/zinc/86/08/35/571860835.db2.gz CUMQKIXHIJEMOO-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN CCC=CC(O)=CC(C)=O 38880958 571860007 /nfs/dbraw/zinc/86/00/07/571860007.db2.gz PRRYEPGBLHSBOL-ONEGZZNKSA-N 0 0 140.182 1.501 10 0 ADAERN CN(C)N=c1[nH]c2ccc(F)cc2[nH]1 234250828 571860013 /nfs/dbraw/zinc/86/00/13/571860013.db2.gz WVXDZEBRGRSHBJ-UHFFFAOYSA-N 0 0 194.213 1.591 10 0 ADAERN C[C@@H](CO)[Si](C)(C)C(C)(C)O 196105012 571860022 /nfs/dbraw/zinc/86/00/22/571860022.db2.gz YVYKMPSJQUSNRE-ZETCQYMHSA-N 0 0 176.332 1.387 10 0 ADAERN COCc1ccsc1 38885923 571860024 /nfs/dbraw/zinc/86/00/24/571860024.db2.gz RCTIHQZIVLNKDZ-UHFFFAOYSA-N 0 0 128.196 1.895 10 0 ADAERN N#COc1cccc(OC#N)c1 6092486 571860025 /nfs/dbraw/zinc/86/00/25/571860025.db2.gz QQZZMAPJAKOSNG-UHFFFAOYSA-N 0 0 160.132 1.406 10 0 ADAERN CCC1(CC)CC[C@H](O)O1 38863834 571860104 /nfs/dbraw/zinc/86/01/04/571860104.db2.gz YSIRCTKQVOMGMU-SSDOTTSWSA-N 0 0 144.214 1.674 10 0 ADAERN CC(C)=C[C@H](C)CCO 196116578 571860036 /nfs/dbraw/zinc/86/00/36/571860036.db2.gz JGSIJSNGKCFPEA-MRVPVSSYSA-N 0 0 128.215 1.971 10 0 ADAERN CCCC1(CO)COC(C)(C)OC1 38881449 571860037 /nfs/dbraw/zinc/86/00/37/571860037.db2.gz GARZZYQOOBKTSN-UHFFFAOYSA-N 0 0 188.267 1.548 10 0 ADAERN COc1ccc2c(c1N)OCCC2 38865519 571860068 /nfs/dbraw/zinc/86/00/68/571860068.db2.gz WEGPTMHBZSYPND-UHFFFAOYSA-N 0 0 179.219 1.602 10 0 ADAERN C=Cc1cc(O)cc(O)c1 38880158 571860099 /nfs/dbraw/zinc/86/00/99/571860099.db2.gz LYECQNYXCRATFL-UHFFFAOYSA-N 0 0 136.150 1.741 10 0 ADAERN CCc1cc2c(cc1N)OCO2 38857763 571860100 /nfs/dbraw/zinc/86/01/00/571860100.db2.gz PWWZFVHCHTVPPU-UHFFFAOYSA-N 0 0 165.192 1.560 10 0 ADAERN Cc1cn(C)cc1C 6072040 571860142 /nfs/dbraw/zinc/86/01/42/571860142.db2.gz UQJPYEMQAMHPFF-UHFFFAOYSA-N 0 0 109.172 1.642 10 0 ADAERN O=C1CCC[C@@H]1CC1OCCO1 38865214 571860154 /nfs/dbraw/zinc/86/01/54/571860154.db2.gz KEIHWSWSKVXGFR-SSDOTTSWSA-N 0 0 170.208 1.119 10 0 ADAERN CCC[C@]1(CC)CNC(=O)N(C)C1 38865802 571860182 /nfs/dbraw/zinc/86/01/82/571860182.db2.gz KIHUZOCAOAIZMI-SNVBAGLBSA-N 0 0 184.283 1.838 10 0 ADAERN COc1ccc(COC#N)cc1O 138948104 571860204 /nfs/dbraw/zinc/86/02/04/571860204.db2.gz OGAXBOHRLHBUKO-UHFFFAOYSA-N 0 0 179.175 1.398 10 0 ADAERN O=c1c2cccn2cc2n1CCC2 38884873 571860262 /nfs/dbraw/zinc/86/02/62/571860262.db2.gz WETNGLFXFNTBLX-UHFFFAOYSA-N 0 0 174.203 1.047 10 0 ADAERN CCC1OCCCCCO1 38863671 571860306 /nfs/dbraw/zinc/86/03/06/571860306.db2.gz PPFPNJZXJXLUCI-UHFFFAOYSA-N 0 0 144.214 1.940 10 0 ADAERN CO[C@@H]1OCCc2occc21 38864729 571860323 /nfs/dbraw/zinc/86/03/23/571860323.db2.gz JTXPLBDDOOUDCC-MRVPVSSYSA-N 0 0 154.165 1.497 10 0 ADAERN Cc1c[nH]c(=O)c(-c2ccccc2)n1 38864086 571860279 /nfs/dbraw/zinc/86/02/79/571860279.db2.gz FYVBVVVWYBHCOF-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CCC(C)(C)CC(C)(CO)CO 713126878 571860288 /nfs/dbraw/zinc/86/02/88/571860288.db2.gz APIHMVSQVKLUDY-UHFFFAOYSA-N 0 0 174.284 1.804 10 0 ADAERN Cc1nc(C)c2nc(C)[nH]c2n1 38874141 571860291 /nfs/dbraw/zinc/86/02/91/571860291.db2.gz OGEVAXQAJYSFHO-UHFFFAOYSA-N 0 0 162.196 1.278 10 0 ADAERN CC(=O)N[C@H]1CCCC=C1C 196110944 571860295 /nfs/dbraw/zinc/86/02/95/571860295.db2.gz UAZWLKMVKISNDU-VIFPVBQESA-N 0 0 153.225 1.621 10 0 ADAERN Cc1cn(C)c(=O)c2[nH]ccc12 38881016 571860349 /nfs/dbraw/zinc/86/03/49/571860349.db2.gz BGMZOIOPGVESRZ-UHFFFAOYSA-N 0 0 162.192 1.175 10 0 ADAERN NOc1cccc2c1CCCC2 38865017 571860389 /nfs/dbraw/zinc/86/03/89/571860389.db2.gz XFOIOXVSIKRDQQ-UHFFFAOYSA-N 0 0 163.220 1.818 10 0 ADAERN CCCCNC(=O)n1ccnc1CC 26183003 571861306 /nfs/dbraw/zinc/86/13/06/571861306.db2.gz LASIDMOHQTUUCO-UHFFFAOYSA-N 0 0 195.266 1.803 10 0 ADAERN CCOC[C@H](O)c1ccnn1C(C)C 300726258 571860391 /nfs/dbraw/zinc/86/03/91/571860391.db2.gz BXHJZLGDXIBRDJ-JTQLQIEISA-N 0 0 198.266 1.534 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)[C@H](O)C=C2 6071333 571860414 /nfs/dbraw/zinc/86/04/14/571860414.db2.gz ISBMHLUJIIODOL-MNOVXSKESA-N 0 0 176.215 1.416 10 0 ADAERN CC(=O)c1cc(N(C)C)ccc1O 38875608 571860459 /nfs/dbraw/zinc/86/04/59/571860459.db2.gz YEMTWCQZUDRSJG-UHFFFAOYSA-N 0 0 179.219 1.661 10 0 ADAERN CSC1=NOC(C)(C)C1 38875230 571860469 /nfs/dbraw/zinc/86/04/69/571860469.db2.gz JQHNGQVXLXUPCW-UHFFFAOYSA-N 0 0 145.227 1.862 10 0 ADAERN C[C@@H]1CCc2cc(=O)ccn2C1 38865020 571860472 /nfs/dbraw/zinc/86/04/72/571860472.db2.gz WPRGODZBWYIQTB-MRVPVSSYSA-N 0 0 163.220 1.431 10 0 ADAERN CCO[C@@H]1CC(C)(C)CC(=O)N1 38886909 571861312 /nfs/dbraw/zinc/86/13/12/571861312.db2.gz KLLYJTHVTYOOIJ-MRVPVSSYSA-N 0 0 171.240 1.285 10 0 ADAERN CC1=C(CCO)C(C)(C)CC[C@@H]1O 38877862 571860486 /nfs/dbraw/zinc/86/04/86/571860486.db2.gz YWGAWIMPXFEBPI-JTQLQIEISA-N 0 0 184.279 1.866 10 0 ADAERN COc1c(O)ccc(C)cc1=O 38858076 571860519 /nfs/dbraw/zinc/86/05/19/571860519.db2.gz JFTNXOFPWHIABM-UHFFFAOYSA-N 0 0 166.176 1.069 10 0 ADAERN Cc1ccnc2c1C(=O)CCC2 6071998 571860522 /nfs/dbraw/zinc/86/05/22/571860522.db2.gz ODERZULSHJSVCL-UHFFFAOYSA-N 0 0 161.204 1.909 10 0 ADAERN C[C@@H]1C[NH2+][C@@H]2CCCC[C@@H]2C1=O 38886646 571860549 /nfs/dbraw/zinc/86/05/49/571860549.db2.gz ORPUWPFHBHKSJW-HRDYMLBCSA-N 0 0 167.252 1.354 10 0 ADAERN CCOCCC[C@@H](O)[C@H](O)C(C)C 689382540 571860552 /nfs/dbraw/zinc/86/05/52/571860552.db2.gz CDJBXSUQHPITCL-NXEZZACHSA-N 0 0 190.283 1.181 10 0 ADAERN N#COc1ccc(O)cc1 138917716 571860576 /nfs/dbraw/zinc/86/05/76/571860576.db2.gz QBFWREVBCAJCJJ-UHFFFAOYSA-N 0 0 135.122 1.252 10 0 ADAERN CC1(C)C[C@H]1[NH+]1CCOCC1 38886099 571860579 /nfs/dbraw/zinc/86/05/79/571860579.db2.gz BOQDKJDUJBQLPZ-MRVPVSSYSA-N 0 0 155.241 1.117 10 0 ADAERN CCCC1=CCC(=O)N1 196113039 571860596 /nfs/dbraw/zinc/86/05/96/571860596.db2.gz NJZRIFXWLQKBTF-UHFFFAOYSA-N 0 0 125.171 1.190 10 0 ADAERN Cc1nc2ccc(C=NN)cc2s1 379375469 571860601 /nfs/dbraw/zinc/86/06/01/571860601.db2.gz PRUHKUCBRDHWPZ-UHFFFAOYSA-N 0 0 191.259 1.897 10 0 ADAERN Cc1ccoc1/C=C/CCO 38864709 571860603 /nfs/dbraw/zinc/86/06/03/571860603.db2.gz CSRZMAVXGOQQAP-DUXPYHPUSA-N 0 0 152.193 1.984 10 0 ADAERN CCOCCC[C@H](O)[C@H](O)C(C)C 689382542 571860608 /nfs/dbraw/zinc/86/06/08/571860608.db2.gz CDJBXSUQHPITCL-VHSXEESVSA-N 0 0 190.283 1.181 10 0 ADAERN CCc1occc1[C@@H]([NH3+])[C@H]1CCOC1 234250796 571860612 /nfs/dbraw/zinc/86/06/12/571860612.db2.gz RLSOLURIOWICOF-KWQFWETISA-N 0 0 195.262 1.878 10 0 ADAERN O=C1COc2cccc3[nH]cc(c23)C1 38873890 571860627 /nfs/dbraw/zinc/86/06/27/571860627.db2.gz FDQBMIZMUQCDQB-UHFFFAOYSA-N 0 0 187.198 1.672 10 0 ADAERN CC[C@@H]1C[C@H]1N1CN[C@@H](C(C)C)C1=O 233935164 571860646 /nfs/dbraw/zinc/86/06/46/571860646.db2.gz NALYBVDLOASCDC-BBBLOLIVSA-N 0 0 196.294 1.199 10 0 ADAERN OC[C@@H]1Cc2cccc3c2N(CC3)C1 138921425 571860648 /nfs/dbraw/zinc/86/06/48/571860648.db2.gz VUACWAHFWZBUFM-SECBINFHSA-N 0 0 189.258 1.214 10 0 ADAERN C[C@@H]1CC(=O)[C@@H]2O[C@]2(C)C1 38864463 571860678 /nfs/dbraw/zinc/86/06/78/571860678.db2.gz ILGKZCPUVQJRIY-MHSYXAOVSA-N 0 0 140.182 1.143 10 0 ADAERN COCC[C@@H](C)[C@H]1COCCC1=O 234653864 571860699 /nfs/dbraw/zinc/86/06/99/571860699.db2.gz RPOWWOBEIFLFPR-RKDXNWHRSA-N 0 0 186.251 1.265 10 0 ADAERN OCc1cc2c(c3c1COC3)COC2 38880802 571860702 /nfs/dbraw/zinc/86/07/02/571860702.db2.gz UJXNIDYNMWZXOU-UHFFFAOYSA-N 0 0 192.214 1.239 10 0 ADAERN CC(C)(C)[C@@H](F)CO 38885199 571860714 /nfs/dbraw/zinc/86/07/14/571860714.db2.gz BIXPLUJYBHAXHD-YFKPBYRVSA-N 0 0 120.167 1.363 10 0 ADAERN C[C@@H]1C(=O)[C@H](Cl)[C@H]1C 147229523 571860717 /nfs/dbraw/zinc/86/07/17/571860717.db2.gz WNUHQMBBZGXNRN-VAYJURFESA-N 0 0 132.590 1.449 10 0 ADAERN CCCC1(O)CCN(C(=O)CC)CC1 335859576 571860737 /nfs/dbraw/zinc/86/07/37/571860737.db2.gz JJOBWLUHYDVGOW-UHFFFAOYSA-N 0 0 199.294 1.550 10 0 ADAERN O=Cc1cccn2c(Cl)ncc12 38865611 571860740 /nfs/dbraw/zinc/86/07/40/571860740.db2.gz JHMVFXDSHURIEH-UHFFFAOYSA-N 0 0 180.594 1.800 10 0 ADAERN Nn1cc(Cl)c(=S)[nH]c1=S 38866261 571860741 /nfs/dbraw/zinc/86/07/41/571860741.db2.gz SMAOUXXMAJXYFV-UHFFFAOYSA-N 0 0 193.684 1.268 10 0 ADAERN Nc1ncnc2cscc12 38864688 571860748 /nfs/dbraw/zinc/86/07/48/571860748.db2.gz HVPHTHAHVUXWGB-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN C=C=C1COc2ccccc2[C@@H]1O 38863368 571860776 /nfs/dbraw/zinc/86/07/76/571860776.db2.gz VMCGUJXMKMYDJG-LLVKDONJSA-N 0 0 174.199 1.824 10 0 ADAERN OCCC1=C[C@H]2[C@@H]3C[C@@H]4[C@H]2[C@@H]4[C@H]13 38864977 571860806 /nfs/dbraw/zinc/86/08/06/571860806.db2.gz WLAOOZYRCYCLOJ-OVFHJWECSA-N 0 0 162.232 1.437 10 0 ADAERN CCOCCC[C@H](O)[C@@H](O)C(C)C 689382541 571860826 /nfs/dbraw/zinc/86/08/26/571860826.db2.gz CDJBXSUQHPITCL-UWVGGRQHSA-N 0 0 190.283 1.181 10 0 ADAERN CC(C)C1(Cn2cnc(CO)c2)CC1 300728684 571860839 /nfs/dbraw/zinc/86/08/39/571860839.db2.gz 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/nfs/dbraw/zinc/86/09/55/571860955.db2.gz QOSCXHPXKZQAJA-UHFFFAOYSA-N 0 0 186.170 1.353 10 0 ADAERN CCO[C@@H](C)OCCC/C=C\CO 111411190 571861010 /nfs/dbraw/zinc/86/10/10/571861010.db2.gz AVODNDZHWMDWPN-AYYIZTPMSA-N 0 0 188.267 1.714 10 0 ADAERN O=C1CCC[C@H]1CC1OCCO1 38865216 571861013 /nfs/dbraw/zinc/86/10/13/571861013.db2.gz KEIHWSWSKVXGFR-ZETCQYMHSA-N 0 0 170.208 1.119 10 0 ADAERN Cc1cc(C)c(OC#N)cc1O 138917838 571861029 /nfs/dbraw/zinc/86/10/29/571861029.db2.gz KVVSSVWMDQSCBU-UHFFFAOYSA-N 0 0 163.176 1.869 10 0 ADAERN O=c1[nH]c2ccc(CCCO)cc2o1 38863386 571861068 /nfs/dbraw/zinc/86/10/68/571861068.db2.gz HOMVYTMOYMBPNX-UHFFFAOYSA-N 0 0 193.202 1.046 10 0 ADAERN FC1(CN=Nc2ncccn2)CC1 379373658 571861080 /nfs/dbraw/zinc/86/10/80/571861080.db2.gz LQNDJAPBSZULJD-UHFFFAOYSA-N 0 0 180.186 1.376 10 0 ADAERN CCn1cc2[nH]cccc-2c1=O 38888144 571861124 /nfs/dbraw/zinc/86/11/24/571861124.db2.gz WPMCYUBKRSWMES-UHFFFAOYSA-N 0 0 162.192 1.057 10 0 ADAERN Nc1ccc(O)c2c1C(=O)CC2 38864994 571861129 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571864327 /nfs/dbraw/zinc/86/43/27/571864327.db2.gz MTZXWALHNGKJEH-QMMMGPOBSA-N 0 0 171.240 1.285 10 0 ADAERN Cc1[nH]c(=O)nc2ccc(Cl)cc12 29213644 571864340 /nfs/dbraw/zinc/86/43/40/571864340.db2.gz QAGKRQBHOYXDIU-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN CNC(=O)Oc1ccc2[nH]ccc2c1 138970984 571864342 /nfs/dbraw/zinc/86/43/42/571864342.db2.gz ICJQVLQBBKYKEP-UHFFFAOYSA-N 0 0 190.202 1.886 10 0 ADAERN CCC[C@@H](O)[C@@H](O)CCCOCC 689383493 571864352 /nfs/dbraw/zinc/86/43/52/571864352.db2.gz HUFWLWKKYKNMAQ-ZJUUUORDSA-N 0 0 190.283 1.325 10 0 ADAERN CCOC1CC(n2cnc(C[NH3+])c2)C1 300732920 571864370 /nfs/dbraw/zinc/86/43/70/571864370.db2.gz JRGVVAUBUDXZRO-UHFFFAOYSA-N 0 0 195.266 1.082 10 0 ADAERN Nc1cc2c(O)cccc2[nH]1 39048280 571870176 /nfs/dbraw/zinc/87/01/76/571870176.db2.gz SXOVDIZFLZYWIG-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN COCCNc1cc(SC)ncn1 234661552 571864453 /nfs/dbraw/zinc/86/44/53/571864453.db2.gz PNQCSXTWTWYFRG-UHFFFAOYSA-N 0 0 199.279 1.257 10 0 ADAERN 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/nfs/dbraw/zinc/86/48/00/571864800.db2.gz ZOMZJNKNRJCSEE-SECBINFHSA-N 0 0 192.214 1.427 10 0 ADAERN CCN1CC[C@@H]1CN[C@H](C)C(F)F 712619619 571864809 /nfs/dbraw/zinc/86/48/09/571864809.db2.gz YNPKXEFEQGUNPQ-HTQZYQBOSA-N 0 0 192.253 1.324 10 0 ADAERN COCC[C@H](C)Nc1nc(C)no1 234661580 571864812 /nfs/dbraw/zinc/86/48/12/571864812.db2.gz VAWKQJYAVKIVBM-LURJTMIESA-N 0 0 185.227 1.215 10 0 ADAERN C[C@]12CCC(=O)[C@]1(C)CCC2=O 6251005 571864839 /nfs/dbraw/zinc/86/48/39/571864839.db2.gz RRKLJMXLXFEHEC-AOOOYVTPSA-N 0 0 166.220 1.725 10 0 ADAERN CC(CO)=C1CCOCC1 139001772 571864842 /nfs/dbraw/zinc/86/48/42/571864842.db2.gz VJFMVTFUWKNCOV-UHFFFAOYSA-N 0 0 142.198 1.106 10 0 ADAERN C/C=C/[C@@H]([NH3+])C(C)(C)C(=O)[O-] 38973066 571864843 /nfs/dbraw/zinc/86/48/43/571864843.db2.gz MHNXJTQQXZWWTA-BMMSZFGTSA-N 0 0 157.213 1.001 10 0 ADAERN CO[C@@H]1CC(=O)Nc2ccccc2O1 38973904 571864855 /nfs/dbraw/zinc/86/48/55/571864855.db2.gz UVPNYAUCDVJEAY-JTQLQIEISA-N 0 0 193.202 1.380 10 0 ADAERN CNC(=O)/C(C)=C/c1ccccc1 6261719 571864859 /nfs/dbraw/zinc/86/48/59/571864859.db2.gz BDDNGLQSBHBGBQ-CMDGGOBGSA-N 0 0 175.231 1.836 10 0 ADAERN OC[C@H]1Cc2c(F)ccc(F)c2O1 39017894 571870191 /nfs/dbraw/zinc/87/01/91/571870191.db2.gz XFWVERKBANSACP-RXMQYKEDSA-N 0 0 186.157 1.261 10 0 ADAERN COc1ccc2c(c1)N[C@@H](CO)C2 38973477 571864882 /nfs/dbraw/zinc/86/48/82/571864882.db2.gz GWDOWQPANZLIDO-MRVPVSSYSA-N 0 0 179.219 1.024 10 0 ADAERN C[C@@H]1CCC(C)(C)[C@@H](C(=O)[O-])[NH2+]1 38949562 571864902 /nfs/dbraw/zinc/86/49/02/571864902.db2.gz RMRPNSSYAOMYTE-RNFRBKRXSA-N 0 0 171.240 1.238 10 0 ADAERN COCC[C@H](C)C(=O)c1cn(C)cn1 234662914 571864924 /nfs/dbraw/zinc/86/49/24/571864924.db2.gz XBKQEFPLZYHAJO-QMMMGPOBSA-N 0 0 196.250 1.275 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1nnc(C)n1C 400411973 571864971 /nfs/dbraw/zinc/86/49/71/571864971.db2.gz SYFAJAMSXWFDQL-VXNVDRBHSA-N 0 0 197.282 1.593 10 0 ADAERN CC1(C)C=C[C@@H](O)C1 38972806 571864979 /nfs/dbraw/zinc/86/49/79/571864979.db2.gz 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/nfs/dbraw/zinc/86/51/30/571865130.db2.gz VFSFWUKTUKYGQZ-UHFFFAOYSA-N 0 0 181.235 1.992 10 0 ADAERN CCCCC(=O)[C@H]1C=COC1 38973013 571865052 /nfs/dbraw/zinc/86/50/52/571865052.db2.gz RVBUJCNMDQLDRK-QMMMGPOBSA-N 0 0 154.209 1.906 10 0 ADAERN CCC[C@H](CCC[NH3+])[P@@H](=O)[O-] 144654311 571865053 /nfs/dbraw/zinc/86/50/53/571865053.db2.gz IUNUQPLPGGOCOD-SSDOTTSWSA-N 0 0 179.200 1.361 10 0 ADAERN C[C@H](O)[C@@H](C)C(=O)c1ccccc1 38949857 571865079 /nfs/dbraw/zinc/86/50/79/571865079.db2.gz LZWQBCUNLJNOPL-BDAKNGLRSA-N 0 0 178.231 1.886 10 0 ADAERN CCO[C@@H](C)c1ncc(C[NH3+])c(C)n1 300732202 571865080 /nfs/dbraw/zinc/86/50/80/571865080.db2.gz JHDTYYVLWCBTFI-QMMMGPOBSA-N 0 0 195.266 1.341 10 0 ADAERN COCC[C@@H](O)c1ccnn1C(C)C 300731949 571865152 /nfs/dbraw/zinc/86/51/52/571865152.db2.gz DWWKXVPAONRSOW-SNVBAGLBSA-N 0 0 198.266 1.534 10 0 ADAERN CCC[C@H](O)c1oc(C)cc(=O)c1O 39039336 571870113 /nfs/dbraw/zinc/87/01/13/571870113.db2.gz QLMREDMWNQSTKK-ZETCQYMHSA-N 0 0 198.218 1.487 10 0 ADAERN CCn1cc([C@H]2C[C@@H](O)CCO2)cn1 234256815 571865087 /nfs/dbraw/zinc/86/50/87/571865087.db2.gz AUKDVVMCOGWOPA-VHSXEESVSA-N 0 0 196.250 1.115 10 0 ADAERN CO[P@@](=O)([O-])C[NH2+]C(C)(C)C 38950012 571865091 /nfs/dbraw/zinc/86/50/91/571865091.db2.gz JDYJXOIIFUPCFW-UHFFFAOYSA-N 0 0 181.172 1.164 10 0 ADAERN CCO[C@H](C)c1ncc(C[NH3+])c(C)n1 300732198 571865109 /nfs/dbraw/zinc/86/51/09/571865109.db2.gz JHDTYYVLWCBTFI-MRVPVSSYSA-N 0 0 195.266 1.341 10 0 ADAERN C1CC[C@@H]2CON=C2C1 138959691 571865156 /nfs/dbraw/zinc/86/51/56/571865156.db2.gz BQRVRKBNXLTROB-ZCFIWIBFSA-N 0 0 125.171 1.563 10 0 ADAERN CCCCC(=O)[C@@H]1C=COC1 38973014 571865161 /nfs/dbraw/zinc/86/51/61/571865161.db2.gz RVBUJCNMDQLDRK-MRVPVSSYSA-N 0 0 154.209 1.906 10 0 ADAERN CCC[C@@H](O)[C@H](O)CCCOCC 689383490 571865233 /nfs/dbraw/zinc/86/52/33/571865233.db2.gz HUFWLWKKYKNMAQ-NXEZZACHSA-N 0 0 190.283 1.325 10 0 ADAERN C/C(=C\CO)CCCC1OCCO1 38950268 571865179 /nfs/dbraw/zinc/86/51/79/571865179.db2.gz GODHWEOPPIGBNV-WEVVVXLNSA-N 0 0 186.251 1.468 10 0 ADAERN O=C1C[C@H]2CC=CC[C@@H]2C1 6295522 571865190 /nfs/dbraw/zinc/86/51/90/571865190.db2.gz XTHWLHROZDWGOU-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN Cc1cncc2cncc(C=O)c12 196122044 571870178 /nfs/dbraw/zinc/87/01/78/571870178.db2.gz MAJJANFLDAABKQ-UHFFFAOYSA-N 0 0 172.187 1.751 10 0 ADAERN CC[C@@H]1CCCN1/C=C\C(=O)OC 211618469 571865219 /nfs/dbraw/zinc/86/52/19/571865219.db2.gz DEBHONDENXSXAI-JGAIRUGNSA-N 0 0 183.251 1.548 10 0 ADAERN CC[C@@H](OC)c1[nH]cnc1C 196128739 571870180 /nfs/dbraw/zinc/87/01/80/571870180.db2.gz AEJHLMPIYHASAD-SSDOTTSWSA-N 0 0 154.213 1.816 10 0 ADAERN Cc1cc(C)n(C(=O)C(C)C)n1 6271229 571865260 /nfs/dbraw/zinc/86/52/60/571865260.db2.gz UZYJFVURZUSJFZ-UHFFFAOYSA-N 0 0 166.224 1.796 10 0 ADAERN CCOC(=O)N1CC(=CCl)C1 38973404 571865272 /nfs/dbraw/zinc/86/52/72/571865272.db2.gz SAXPCGSSYITKIN-UHFFFAOYSA-N 0 0 175.615 1.581 10 0 ADAERN COCC[C@H](O)c1ccnn1C(C)C 300731948 571865275 /nfs/dbraw/zinc/86/52/75/571865275.db2.gz DWWKXVPAONRSOW-JTQLQIEISA-N 0 0 198.266 1.534 10 0 ADAERN CC1=C([C@H](C)O)CCC1 139018266 571865279 /nfs/dbraw/zinc/86/52/79/571865279.db2.gz LEGGCNNQVQTRDT-ZETCQYMHSA-N 0 0 126.199 1.868 10 0 ADAERN CC(=O)Oc1cnc2occc2c1 38973434 571865287 /nfs/dbraw/zinc/86/52/87/571865287.db2.gz CHOZAJAKJPTSTE-UHFFFAOYSA-N 0 0 177.159 1.753 10 0 ADAERN C[C@@H]1CCC[C@@H](COCC(N)=O)C1 300733059 571865290 /nfs/dbraw/zinc/86/52/90/571865290.db2.gz FGWUNIBWZYGUII-RKDXNWHRSA-N 0 0 185.267 1.315 10 0 ADAERN CC1(C)O[C@H](CO)c2ccccc21 138990992 571865305 /nfs/dbraw/zinc/86/53/05/571865305.db2.gz KIMJBSWICNBTOJ-SNVBAGLBSA-N 0 0 178.231 1.985 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C1CC1)[C@@H]1CC[C@H]1C 687726660 571871178 /nfs/dbraw/zinc/87/11/78/571871178.db2.gz VBNQIVZLPYBUHI-KHQFGBGNSA-N 0 0 197.278 1.722 10 0 ADAERN C[C@@H]1c2cccn2CC[C@H]1CO 39038396 571871200 /nfs/dbraw/zinc/87/12/00/571871200.db2.gz VMELABWRIUVGDZ-IUCAKERBSA-N 0 0 165.236 1.604 10 0 ADAERN COC(=O)CC1(C(C)C)CC1 144652546 571865345 /nfs/dbraw/zinc/86/53/45/571865345.db2.gz BOOYKNMQJNQQSJ-UHFFFAOYSA-N 0 0 156.225 1.986 10 0 ADAERN CCn1cc([C@H]2C[C@H](O)CCO2)cn1 234257118 571865348 /nfs/dbraw/zinc/86/53/48/571865348.db2.gz AUKDVVMCOGWOPA-NXEZZACHSA-N 0 0 196.250 1.115 10 0 ADAERN COC(C)(C)Cc1cc(CCO)on1 234661853 571865359 /nfs/dbraw/zinc/86/53/59/571865359.db2.gz NZSJDGUZQOPVAJ-UHFFFAOYSA-N 0 0 199.250 1.177 10 0 ADAERN C1=C[C@H]2Oc3ccccc3N[C@H]2O1 138990082 571865363 /nfs/dbraw/zinc/86/53/63/571865363.db2.gz NINQYSXAYRXPCJ-ZJUUUORDSA-N 0 0 175.187 1.730 10 0 ADAERN CC1(C)C=C[C@H](O)C1 38972807 571865364 /nfs/dbraw/zinc/86/53/64/571865364.db2.gz FIXNXSZNZDNVIM-LURJTMIESA-N 0 0 112.172 1.333 10 0 ADAERN COc1cc2c(cc1O)O[C@@H](C)C2 38949928 571865391 /nfs/dbraw/zinc/86/53/91/571865391.db2.gz FOCQHGRKWJMGER-LURJTMIESA-N 0 0 180.203 1.724 10 0 ADAERN OC[C@@H]1Cc2c(F)ccc(F)c2O1 39017895 571870194 /nfs/dbraw/zinc/87/01/94/571870194.db2.gz XFWVERKBANSACP-YFKPBYRVSA-N 0 0 186.157 1.261 10 0 ADAERN CC1(C)Cc2sccc2C(=O)N1 38950034 571865370 /nfs/dbraw/zinc/86/53/70/571865370.db2.gz YAWFHGXXBVFZBP-UHFFFAOYSA-N 0 0 181.260 1.813 10 0 ADAERN COCc1ccc(OC)cc1N 38973208 571865381 /nfs/dbraw/zinc/86/53/81/571865381.db2.gz ARCOFQPUKRTCSJ-UHFFFAOYSA-N 0 0 167.208 1.424 10 0 ADAERN OC[C@@H]1CCNc2ccsc21 138987853 571865390 /nfs/dbraw/zinc/86/53/90/571865390.db2.gz XKTDUQQTJLPAOI-LURJTMIESA-N 0 0 169.249 1.640 10 0 ADAERN COc1ccc(O)cc1N(C)N=O 38950070 571865417 /nfs/dbraw/zinc/86/54/17/571865417.db2.gz VTFUYMVXUXWWAW-UHFFFAOYSA-N 0 0 182.179 1.518 10 0 ADAERN OCCc1coc(-c2ccccc2)n1 38950432 571865426 /nfs/dbraw/zinc/86/54/26/571865426.db2.gz AMIDWHFZNWGIIQ-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN CC(=O)c1cccc(C2OCCO2)n1 38973898 571865431 /nfs/dbraw/zinc/86/54/31/571865431.db2.gz MILYXZXQRSUYLX-UHFFFAOYSA-N 0 0 193.202 1.330 10 0 ADAERN OCc1cn(CC2(C3CC3)CC2)cn1 300731923 571865435 /nfs/dbraw/zinc/86/54/35/571865435.db2.gz JENMAXADPVPPLG-UHFFFAOYSA-N 0 0 192.262 1.566 10 0 ADAERN O=C1OC[C@@H](c2ccccc2)N1CO 38973901 571866507 /nfs/dbraw/zinc/86/65/07/571866507.db2.gz HXPIZEWUWQEFQI-VIFPVBQESA-N 0 0 193.202 1.130 10 0 ADAERN CCOC(=O)N1CN=C(CC)C1 38760437 571865459 /nfs/dbraw/zinc/86/54/59/571865459.db2.gz ZTUMTNHTNYRPMV-UHFFFAOYSA-N 0 0 170.212 1.267 10 0 ADAERN COc1ccc2c(c1)N[C@H](CO)C2 38973476 571865494 /nfs/dbraw/zinc/86/54/94/571865494.db2.gz GWDOWQPANZLIDO-QMMMGPOBSA-N 0 0 179.219 1.024 10 0 ADAERN Cc1ccc2c(c1)C(=O)NC(C)(C)O2 38973840 571865498 /nfs/dbraw/zinc/86/54/98/571865498.db2.gz UKFYXGQZYJOGEG-UHFFFAOYSA-N 0 0 191.230 1.853 10 0 ADAERN CC(=O)OC[C@@H]1Cc2ccccc2N1 38950573 571865502 /nfs/dbraw/zinc/86/55/02/571865502.db2.gz RTYYAHMUZBMBNH-JTQLQIEISA-N 0 0 191.230 1.586 10 0 ADAERN CCC(=O)c1cccccc1=O 38973114 571865530 /nfs/dbraw/zinc/86/55/30/571865530.db2.gz ORTBIUMWPCSUDI-UHFFFAOYSA-N 0 0 162.188 1.640 10 0 ADAERN COCC[C@@H](C)Nc1nc(C)no1 234661627 571865533 /nfs/dbraw/zinc/86/55/33/571865533.db2.gz VAWKQJYAVKIVBM-ZCFIWIBFSA-N 0 0 185.227 1.215 10 0 ADAERN CCOCCc1ncc(N)c(CC)n1 300735495 571865545 /nfs/dbraw/zinc/86/55/45/571865545.db2.gz KXVGRGMRKJGCMV-UHFFFAOYSA-N 0 0 195.266 1.200 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]2CCC(=O)[C@]12C 38950080 571865549 /nfs/dbraw/zinc/86/55/49/571865549.db2.gz KIEFUCONGCHVEG-SDNRWEOFSA-N 0 0 182.263 1.763 10 0 ADAERN O=C1C[C@@H]2C=C(CCO)C[C@H]2C1 138950330 571865550 /nfs/dbraw/zinc/86/55/50/571865550.db2.gz YQWPSMBJJNOXPI-IUCAKERBSA-N 0 0 166.220 1.294 10 0 ADAERN CCN1CCC(=O)c2cc[nH]c2C1=O 38973866 571865561 /nfs/dbraw/zinc/86/55/61/571865561.db2.gz MCLCIKXAFWIOBJ-UHFFFAOYSA-N 0 0 192.218 1.063 10 0 ADAERN CCC(=O)CN(C)Cc1cncs1 400028839 571865562 /nfs/dbraw/zinc/86/55/62/571865562.db2.gz DIGUSEFJZLGIGU-UHFFFAOYSA-N 0 0 198.291 1.554 10 0 ADAERN CCOC1=NC(C)(C)C=C(C)N1 138967620 571865570 /nfs/dbraw/zinc/86/55/70/571865570.db2.gz WYRFKJUHSFBJMG-UHFFFAOYSA-N 0 0 168.240 1.665 10 0 ADAERN O=C1NCCN1[C@@H]1C[C@@H]2CCCC[C@H]21 712619041 571865577 /nfs/dbraw/zinc/86/55/77/571865577.db2.gz JRISZUAYTQVRTB-IVZWLZJFSA-N 0 0 194.278 1.590 10 0 ADAERN O[C@@H]1CCc2cc3ccccc3n2C1 38950332 571865584 /nfs/dbraw/zinc/86/55/84/571865584.db2.gz PIIAZQCONRBYOY-LLVKDONJSA-N 0 0 187.242 1.948 10 0 ADAERN C/C=C/[C@H]([NH3+])C(C)(C)C(=O)[O-] 38973065 571865586 /nfs/dbraw/zinc/86/55/86/571865586.db2.gz MHNXJTQQXZWWTA-OVCGOVNKSA-N 0 0 157.213 1.001 10 0 ADAERN COC[C@](C)(O)c1ccnn1C(C)C 300731681 571865589 /nfs/dbraw/zinc/86/55/89/571865589.db2.gz DWKJPMDZTNPPKD-JTQLQIEISA-N 0 0 198.266 1.318 10 0 ADAERN CCO[C@H]1CCC(=O)[C@]1(C)OC 38973323 571865600 /nfs/dbraw/zinc/86/56/00/571865600.db2.gz KRNJAAGZYNELEK-IUCAKERBSA-N 0 0 172.224 1.160 10 0 ADAERN O[C@H]1CCc2cc3ccccc3n2C1 38950334 571865617 /nfs/dbraw/zinc/86/56/17/571865617.db2.gz PIIAZQCONRBYOY-NSHDSACASA-N 0 0 187.242 1.948 10 0 ADAERN COc1cc(O)c2c(c1C)CCC2=O 38950631 571865628 /nfs/dbraw/zinc/86/56/28/571865628.db2.gz XMTMDRBWRQNIHD-UHFFFAOYSA-N 0 0 192.214 1.838 10 0 ADAERN CC(C)[C@H]1CN(C=O)CCS1 144703568 571865631 /nfs/dbraw/zinc/86/56/31/571865631.db2.gz JQQKJKHGZFGTOB-MRVPVSSYSA-N 0 0 173.281 1.216 10 0 ADAERN CCC[C@H](O)[C@H](O)CCCOCC 689383492 571865653 /nfs/dbraw/zinc/86/56/53/571865653.db2.gz HUFWLWKKYKNMAQ-VHSXEESVSA-N 0 0 190.283 1.325 10 0 ADAERN CCOCCC[C@H](O)[C@@H]1CCCO1 689383495 571865663 /nfs/dbraw/zinc/86/56/63/571865663.db2.gz HUSNHAZEHMBZQJ-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CCNc1nnc(-c2ccncc2)o1 38973788 571865669 /nfs/dbraw/zinc/86/56/69/571865669.db2.gz PTKHLFYWWAHSRG-UHFFFAOYSA-N 0 0 190.206 1.563 10 0 ADAERN C[C@@H]1CC[C@]2(CCC[C@@H]2O)[C@H]1O 38973291 571865673 /nfs/dbraw/zinc/86/56/73/571865673.db2.gz WHGXLKLFMJVDIB-KATARQTJSA-N 0 0 170.252 1.308 10 0 ADAERN Oc1ccc2c(c1)SCO2 29252282 571865685 /nfs/dbraw/zinc/86/56/85/571865685.db2.gz FWPUWXBYKXYYJD-UHFFFAOYSA-N 0 0 154.190 1.834 10 0 ADAERN COc1ccc([C@H]2OC=C[C@H]2O)cc1 38950643 571865710 /nfs/dbraw/zinc/86/57/10/571865710.db2.gz MHIRZBZVEOFDFI-GHMZBOCLSA-N 0 0 192.214 1.641 10 0 ADAERN CNc1ccc(C(=O)OC)c(F)n1 38950132 571865759 /nfs/dbraw/zinc/86/57/59/571865759.db2.gz SDSNCPXULQLSEN-UHFFFAOYSA-N 0 0 184.170 1.049 10 0 ADAERN C[C@H](O)[C@H](C)[C@@H](O)c1ccccc1 38973518 571865794 /nfs/dbraw/zinc/86/57/94/571865794.db2.gz QHXAOJQLZHLLON-ATZCPNFKSA-N 0 0 180.247 1.737 10 0 ADAERN COc1c2c(cc3c1OCC3)CCO2 39039129 571870720 /nfs/dbraw/zinc/87/07/20/571870720.db2.gz XVGSNVUEVRKAQK-UHFFFAOYSA-N 0 0 192.214 1.565 10 0 ADAERN CCOCCC[C@H](O)CSCC 689382839 571865827 /nfs/dbraw/zinc/86/58/27/571865827.db2.gz FVOMKJTZXWIPBJ-VIFPVBQESA-N 0 0 192.324 1.917 10 0 ADAERN O[C@@H](C1=CCCCC1)c1cc[nH]n1 62778739 571865830 /nfs/dbraw/zinc/86/58/30/571865830.db2.gz GDMHEHNHXINUBX-JTQLQIEISA-N 0 0 178.235 1.944 10 0 ADAERN COC(=O)Nc1cc(C)nc(C)c1 38973500 571865851 /nfs/dbraw/zinc/86/58/51/571865851.db2.gz FMTYUSRCOJRYSI-UHFFFAOYSA-N 0 0 180.207 1.877 10 0 ADAERN CC(C)[C@@H]1CN(C=O)CCS1 144703373 571865865 /nfs/dbraw/zinc/86/58/65/571865865.db2.gz JQQKJKHGZFGTOB-QMMMGPOBSA-N 0 0 173.281 1.216 10 0 ADAERN O=C1OC[C@H](c2ccccc2)N1CO 38973900 571865909 /nfs/dbraw/zinc/86/59/09/571865909.db2.gz HXPIZEWUWQEFQI-SECBINFHSA-N 0 0 193.202 1.130 10 0 ADAERN COc1cc(C)c(OC)c(C=O)c1O 38974000 571865915 /nfs/dbraw/zinc/86/59/15/571865915.db2.gz IKAXZIPYIWLQPW-UHFFFAOYSA-N 0 0 196.202 1.530 10 0 ADAERN O[C@H]1CCCC2=C1CCC[C@@H]2O 38973248 571865919 /nfs/dbraw/zinc/86/59/19/571865919.db2.gz OJYWTHYDZHYFNN-UWVGGRQHSA-N 0 0 168.236 1.373 10 0 ADAERN CC1=C[C@H](C)C[C@@H](C[NH2+]CC(=O)[O-])C1 235388847 571865934 /nfs/dbraw/zinc/86/59/34/571865934.db2.gz ABVPDCXJWRNIOK-WCBMZHEXSA-N 0 0 197.278 1.653 10 0 ADAERN CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])C[C@H]2[NH3+] 84963475 571865940 /nfs/dbraw/zinc/86/59/40/571865940.db2.gz DXYGWOZSDAXMQZ-ONOSFVFSSA-N 0 0 197.278 1.615 10 0 ADAERN O=C1N=CC(C(F)(F)F)=CCN1 38973446 571865956 /nfs/dbraw/zinc/86/59/56/571865956.db2.gz YNCSACNLXHVINQ-UHFFFAOYSA-N 0 0 178.113 1.259 10 0 ADAERN CCN1CC[C@H]1CN[C@@H](C)C(F)F 712619630 571865957 /nfs/dbraw/zinc/86/59/57/571865957.db2.gz YNPKXEFEQGUNPQ-YUMQZZPRSA-N 0 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0 163.176 1.881 10 0 ADAERN C/C(=C/I)CO 38974065 571866028 /nfs/dbraw/zinc/86/60/28/571866028.db2.gz GGCHQVLKOFTLDN-RQOWECAXSA-N 0 0 198.003 1.318 10 0 ADAERN O=C1NCCN1[C@@H]1C[C@@H]2CCCC[C@@H]21 712619052 571866043 /nfs/dbraw/zinc/86/60/43/571866043.db2.gz JRISZUAYTQVRTB-LPEHRKFASA-N 0 0 194.278 1.590 10 0 ADAERN COCCOCCCC[C@H](C)CO 234659351 571866047 /nfs/dbraw/zinc/86/60/47/571866047.db2.gz HSWYJSIETCAVGL-JTQLQIEISA-N 0 0 190.283 1.448 10 0 ADAERN CC(=O)O[C@@H](C)C(=O)C(C)C 139056774 571866053 /nfs/dbraw/zinc/86/60/53/571866053.db2.gz FMDZGUYNTYONCK-LURJTMIESA-N 0 0 158.197 1.163 10 0 ADAERN CC(C)[C@H](C)C[C@H]([NH3+])C(=O)[O-] 38973993 571866061 /nfs/dbraw/zinc/86/60/61/571866061.db2.gz VBGFCDFZIZPMLN-RQJHMYQMSA-N 0 0 159.229 1.081 10 0 ADAERN C[C@@H]1CCC(C)(C)[C@H](C(=O)[O-])[NH2+]1 38949558 571866067 /nfs/dbraw/zinc/86/60/67/571866067.db2.gz RMRPNSSYAOMYTE-RQJHMYQMSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@H]1C[C@H]1n1cnc(C[NH2+]C)c1 300732924 571866100 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/nfs/dbraw/zinc/87/00/69/571870069.db2.gz SIYYHWZFMAPFIV-UHFFFAOYSA-N 0 0 191.230 1.261 10 0 ADAERN CSC(=N)c1c(O)cc(O)cc1O 6485238 571869961 /nfs/dbraw/zinc/86/99/61/571869961.db2.gz JCVNCCRBCKTUTQ-UHFFFAOYSA-N 0 0 199.231 1.492 10 0 ADAERN OCCC[C@H]1CCCCCO1 39038302 571869964 /nfs/dbraw/zinc/86/99/64/571869964.db2.gz LYQRHAAWFFYBSD-SECBINFHSA-N 0 0 158.241 1.718 10 0 ADAERN Nc1ccc2c(c1)[C@H]1OC(=O)C[C@H]1C2 39039032 571869969 /nfs/dbraw/zinc/86/99/69/571869969.db2.gz XBXJLNCVZKEPEF-HQJQHLMTSA-N 0 0 189.214 1.429 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](CC(C)(C)C)C1CC1 687726687 571869978 /nfs/dbraw/zinc/86/99/78/571869978.db2.gz ZEYXSEIHJHFRTE-QMMMGPOBSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1OC(=O)c2cccc(O)c21 6490969 571869989 /nfs/dbraw/zinc/86/99/89/571869989.db2.gz MTRCQNXJOTYOSE-RXMQYKEDSA-N 0 0 164.160 1.624 10 0 ADAERN CCc1nc([C@H](C)OC)ncc1CO 300739599 571870015 /nfs/dbraw/zinc/87/00/15/571870015.db2.gz MQEVKDTVYAOUIA-ZETCQYMHSA-N 0 0 196.250 1.239 10 0 ADAERN O[C@H]1CC[C@H]2CCCC[C@@]23O[C@@H]13 196125825 571870018 /nfs/dbraw/zinc/87/00/18/571870018.db2.gz FXWKOGZDDGNSDT-XFWSIPNHSA-N 0 0 168.236 1.469 10 0 ADAERN O=C1CCCC[C@@H]1[C@H](O)C(F)(F)F 139097854 571870023 /nfs/dbraw/zinc/87/00/23/571870023.db2.gz QYKJWBGZUCBSKG-FSPLSTOPSA-N 0 0 196.168 1.669 10 0 ADAERN C[C@H](C(=O)[O-])[NH+](C1CC1)C1CC1 687726590 571870039 /nfs/dbraw/zinc/87/00/39/571870039.db2.gz DEHQIPVVYAMXTE-ZCFIWIBFSA-N 0 0 169.224 1.086 10 0 ADAERN COC(C)(C)c1[nH]cnc1C 196128794 571870041 /nfs/dbraw/zinc/87/00/41/571870041.db2.gz QILJQAIQFAIGAS-UHFFFAOYSA-N 0 0 154.213 1.600 10 0 ADAERN O=C1CC[C@@H](COc2ccccc2)N1 39039112 571870052 /nfs/dbraw/zinc/87/00/52/571870052.db2.gz NFQLMGLYYRJWGS-VIFPVBQESA-N 0 0 191.230 1.344 10 0 ADAERN CC[C@H](O)[C@@]1(C)CCCCC1=O 39017538 571870117 /nfs/dbraw/zinc/87/01/17/571870117.db2.gz DNSSVAGOWPOEJQ-WCBMZHEXSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H]1CC[C@H]1[N@@H+](C1CC1)[C@H](C)C(=O)[O-] 687726662 571870127 /nfs/dbraw/zinc/87/01/27/571870127.db2.gz VBNQIVZLPYBUHI-NQMVMOMDSA-N 0 0 197.278 1.722 10 0 ADAERN CC[C@H](C)[C@H](NN)c1cc(C)n(C)n1 300739954 571870131 /nfs/dbraw/zinc/87/01/31/571870131.db2.gz ACKXZZOEMXRCGR-XVKPBYJWSA-N 0 0 196.298 1.279 10 0 ADAERN CC(C)C[C@@H](C)C[C@H](O)c1cn[nH]n1 300739474 571870134 /nfs/dbraw/zinc/87/01/34/571870134.db2.gz AQYHZKLOELSBBI-SCZZXKLOSA-N 0 0 197.282 1.910 10 0 ADAERN CCNc1nc(C)cc(C)c1C(N)=O 196135992 571870138 /nfs/dbraw/zinc/87/01/38/571870138.db2.gz MMCMSMTWMCGJTH-UHFFFAOYSA-N 0 0 193.250 1.229 10 0 ADAERN Nc1n[nH]cc1-c1ccc(F)c(F)c1 111640990 571872189 /nfs/dbraw/zinc/87/21/89/571872189.db2.gz FAIQEKBSSLVWSM-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN Nc1n[nH]cc1-c1cc(F)ccc1F 111640994 571870145 /nfs/dbraw/zinc/87/01/45/571870145.db2.gz QKAUNYWGSDUBSG-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN OC[C@@H]1C[C@]12C[C@]21CC1(F)F 39038312 571870149 /nfs/dbraw/zinc/87/01/49/571870149.db2.gz CEIPJTDLFSXBOU-ACZMJKKPSA-N 0 0 160.163 1.414 10 0 ADAERN Cc1ccc(F)c([C@H](O)CCCO)c1 235767842 571870153 /nfs/dbraw/zinc/87/01/53/571870153.db2.gz IRXOSXXUQQOOIR-LLVKDONJSA-N 0 0 198.237 1.940 10 0 ADAERN OCC[C@H]1CCC=CCO1 39038146 571870157 /nfs/dbraw/zinc/87/01/57/571870157.db2.gz XTJGVYSUZKQLJV-MRVPVSSYSA-N 0 0 142.198 1.104 10 0 ADAERN OC1CSC(=S)SC1 196135424 571870159 /nfs/dbraw/zinc/87/01/59/571870159.db2.gz XLOMOZVQHNZUIL-UHFFFAOYSA-N 0 0 166.292 1.112 10 0 ADAERN CCC[C@H](OC)c1ncc(N)c(C)n1 300739858 571870164 /nfs/dbraw/zinc/87/01/64/571870164.db2.gz MVGLGBFSTAFEDI-VIFPVBQESA-N 0 0 195.266 1.855 10 0 ADAERN CCOc1nc2c(O)cccc2n1C 39039135 571870184 /nfs/dbraw/zinc/87/01/84/571870184.db2.gz VLEOVYWDYOBKBQ-UHFFFAOYSA-N 0 0 192.218 1.678 10 0 ADAERN CONC1=Nc2ccccc2SC1 196127745 571870221 /nfs/dbraw/zinc/87/02/21/571870221.db2.gz HZYLXGLUJKMAFA-UHFFFAOYSA-N 0 0 194.259 1.973 10 0 ADAERN COCC[C@@H](C)C1(O)CC(OC)C1 234669101 571870223 /nfs/dbraw/zinc/87/02/23/571870223.db2.gz NRKLMISEAGTWAQ-XNWIYYODSA-N 0 0 188.267 1.199 10 0 ADAERN Nc1ccc2c(c1)[C@@H]1OC(=O)C[C@@H]1C2 39039031 571870242 /nfs/dbraw/zinc/87/02/42/571870242.db2.gz XBXJLNCVZKEPEF-WRWORJQWSA-N 0 0 189.214 1.429 10 0 ADAERN CCc1cc(O)c(C(C)=O)c(O)c1 39017735 571870245 /nfs/dbraw/zinc/87/02/45/571870245.db2.gz FUPNPPIBFSGMGK-UHFFFAOYSA-N 0 0 180.203 1.863 10 0 ADAERN CCOC(=O)C=Cc1nc[nH]c1C 713811800 571870249 /nfs/dbraw/zinc/87/02/49/571870249.db2.gz HTQIDANTBDACEH-SNAWJCMRSA-N 0 0 180.207 1.294 10 0 ADAERN Cc1cccc2c1NC(=O)[C@]2(C)O 196122498 571870280 /nfs/dbraw/zinc/87/02/80/571870280.db2.gz HCVPCOYRORUPQF-SNVBAGLBSA-N 0 0 177.203 1.155 10 0 ADAERN C[C@@H]1C=CC=C[C@@H](C)C1=O 196126881 571871324 /nfs/dbraw/zinc/87/13/24/571871324.db2.gz LQCRMLKFLQSYFH-HTQZYQBOSA-N 0 0 136.194 1.954 10 0 ADAERN Cc1ccc(NCn2cncn2)cc1 196138963 571872196 /nfs/dbraw/zinc/87/21/96/571872196.db2.gz KSWUNNDEHPQNDW-UHFFFAOYSA-N 0 0 188.234 1.656 10 0 ADAERN C[C@@H]1CCC(=O)[C@H](CO)C1(C)C 39038511 571870291 /nfs/dbraw/zinc/87/02/91/571870291.db2.gz QXBSUFWGYDMABI-SFYZADRCSA-N 0 0 170.252 1.620 10 0 ADAERN OC[C@@]1(c2ccccc2)CC=NO1 196128130 571870294 /nfs/dbraw/zinc/87/02/94/571870294.db2.gz OADLGCREYJAEDI-SNVBAGLBSA-N 0 0 177.203 1.280 10 0 ADAERN CC(=O)Nc1ccc(N(O)N=O)cc1 39018199 571870305 /nfs/dbraw/zinc/87/03/05/571870305.db2.gz FUCSBBLREJHVQR-UHFFFAOYSA-N 0 0 195.178 1.522 10 0 ADAERN COCCSc1ncccc1CO 234663902 571870307 /nfs/dbraw/zinc/87/03/07/571870307.db2.gz MADJVGMVBHOPSF-UHFFFAOYSA-N 0 0 199.275 1.312 10 0 ADAERN O=C1C(Br)=Cc2cccn21 39039327 571870313 /nfs/dbraw/zinc/87/03/13/571870313.db2.gz BALJHIYNXDAUNY-UHFFFAOYSA-N 0 0 198.019 1.878 10 0 ADAERN C[C@H]1C=CC=C[C@@H](C)C1=O 196126868 571870314 /nfs/dbraw/zinc/87/03/14/571870314.db2.gz LQCRMLKFLQSYFH-OCAPTIKFSA-N 0 0 136.194 1.954 10 0 ADAERN Cc1ccc2cc(O)[nH]c(=S)c2c1 6488343 571870330 /nfs/dbraw/zinc/87/03/30/571870330.db2.gz HVTIMTZZXLZGMH-UHFFFAOYSA-N 0 0 191.255 1.754 10 0 ADAERN CC(=O)Nc1ncc(C)cc1C(C)=O 39018097 571870331 /nfs/dbraw/zinc/87/03/31/571870331.db2.gz XAQXJYVFQSWMGD-UHFFFAOYSA-N 0 0 192.218 1.551 10 0 ADAERN CC1(C)C[C@H]2C=C[C@@H]1C[C@@H]2O 39038202 571870337 /nfs/dbraw/zinc/87/03/37/571870337.db2.gz RKZAYEFYJPKCFM-HLTSFMKQSA-N 0 0 152.237 1.970 10 0 ADAERN CO[C@@H](C1CC1)[C@@H](C)CO 39038156 571870341 /nfs/dbraw/zinc/87/03/41/571870341.db2.gz CSDHYMXYDWXZSZ-POYBYMJQSA-N 0 0 144.214 1.040 10 0 ADAERN CC[C@H](OC)c1[nH]cnc1C 196128732 571870345 /nfs/dbraw/zinc/87/03/45/571870345.db2.gz AEJHLMPIYHASAD-ZETCQYMHSA-N 0 0 154.213 1.816 10 0 ADAERN OC1(c2ccccn2)CCOCC1 39038900 571870347 /nfs/dbraw/zinc/87/03/47/571870347.db2.gz MXACUJBXYCTSEN-UHFFFAOYSA-N 0 0 179.219 1.080 10 0 ADAERN CCC1([C@H](C)C[C@@H](C)O)OCCO1 39017982 571871327 /nfs/dbraw/zinc/87/13/27/571871327.db2.gz XPZMBKNXWXLRKR-RKDXNWHRSA-N 0 0 188.267 1.547 10 0 ADAERN CC[C@H](C)[C@@H](NN)c1cc(C)n(C)n1 300739943 571872201 /nfs/dbraw/zinc/87/22/01/571872201.db2.gz ACKXZZOEMXRCGR-OIBJUYFYSA-N 0 0 196.298 1.279 10 0 ADAERN O[C@@H]1C[C@H](O)C[C@@H](c2ccccc2)O1 6575635 571870411 /nfs/dbraw/zinc/87/04/11/571870411.db2.gz LVCXTYWOMITDAU-VWYCJHECSA-N 0 0 194.230 1.217 10 0 ADAERN CC[C@@H]1CN(c2ccccc2)C(=O)N1 39039076 571870433 /nfs/dbraw/zinc/87/04/33/571870433.db2.gz IUQMAWYTRBHLFH-SECBINFHSA-N 0 0 190.246 1.995 10 0 ADAERN O=C([O-])c1cn(CCC2CC2)cn1 300739999 571870494 /nfs/dbraw/zinc/87/04/94/571870494.db2.gz ATCYVKCBTUWFGM-UHFFFAOYSA-N 0 0 180.207 1.381 10 0 ADAERN OC[C@H]1C[C@]12C(F)(F)C21CC1 39038313 571870498 /nfs/dbraw/zinc/87/04/98/571870498.db2.gz QIELUBATFLDOKK-VDTYLAMSSA-N 0 0 160.163 1.414 10 0 ADAERN CCCOCc1ncc(N)c(C)n1 300739865 571870503 /nfs/dbraw/zinc/87/05/03/571870503.db2.gz MVQCYWAPRKFCQW-UHFFFAOYSA-N 0 0 181.239 1.294 10 0 ADAERN COc1cc(O)c2c(c1)C(=O)CCO2 39039174 571870509 /nfs/dbraw/zinc/87/05/09/571870509.db2.gz XYTJXFPGVCVLDV-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H]2[C@@H](C1)[C@H](O)CC2(C)C 39018316 571870519 /nfs/dbraw/zinc/87/05/19/571870519.db2.gz RMZKIVVJJDSMGF-MFDAYCCISA-N 0 0 198.306 1.800 10 0 ADAERN OCC[C@]12CCCC=C1COCO2 39038868 571870525 /nfs/dbraw/zinc/87/05/25/571870525.db2.gz IZLJKAAVFHVIGI-SNVBAGLBSA-N 0 0 184.235 1.222 10 0 ADAERN CC[C@@H](O)[C@]1(C)CCCCC1=O 39017537 571870530 /nfs/dbraw/zinc/87/05/30/571870530.db2.gz DNSSVAGOWPOEJQ-SCZZXKLOSA-N 0 0 170.252 1.907 10 0 ADAERN O=C1Nc2ccccc2[C@H]2C=C[C@@H]12 196134690 571870538 /nfs/dbraw/zinc/87/05/38/571870538.db2.gz IRYQHHUDNRYHNG-VXNVDRBHSA-N 0 0 171.199 1.908 10 0 ADAERN CCCCC1=NC(=O)C(=C(C)C)N1 39038764 571870548 /nfs/dbraw/zinc/87/05/48/571870548.db2.gz NAJIJFDDSODSBP-UHFFFAOYSA-N 0 0 180.251 1.999 10 0 ADAERN CN(C)c1c(Cl)cccc1CO 234260142 571870555 /nfs/dbraw/zinc/87/05/55/571870555.db2.gz QEBNSUCAYZIHLE-UHFFFAOYSA-N 0 0 185.654 1.898 10 0 ADAERN CCC[C@@H](O)c1oc(C)cc(=O)c1O 39039337 571870559 /nfs/dbraw/zinc/87/05/59/571870559.db2.gz QLMREDMWNQSTKK-SSDOTTSWSA-N 0 0 198.218 1.487 10 0 ADAERN CSC1(SC)CC[C@H]1CO 39038709 571870609 /nfs/dbraw/zinc/87/06/09/571870609.db2.gz KQLVWPBWQLQYBU-LURJTMIESA-N 0 0 178.322 1.811 10 0 ADAERN CO[C@@]12C[C@H](C)CC[C@@H]1[C@@]2(C)CO 196126098 571870709 /nfs/dbraw/zinc/87/07/09/571870709.db2.gz VYRMDSLYUJGLJV-DBIOUOCHSA-N 0 0 184.279 1.820 10 0 ADAERN C[C@H](CO)C(=O)C(C)(C)C 39038158 571870682 /nfs/dbraw/zinc/87/06/82/571870682.db2.gz SSKBRYOEAYVUGR-ZCFIWIBFSA-N 0 0 144.214 1.230 10 0 ADAERN CN(c1c(F)cccc1CO)C1CC1 234259862 571870690 /nfs/dbraw/zinc/87/06/90/571870690.db2.gz QRYSYRZVMCOPHX-UHFFFAOYSA-N 0 0 195.237 1.917 10 0 ADAERN CN1Sc2ccccc2[S@]1=O 6481143 571870698 /nfs/dbraw/zinc/87/06/98/571870698.db2.gz NLUMVGZNRLTACH-NSHDSACASA-N 0 0 185.273 1.662 10 0 ADAERN CC1(C)CC[C@H](CCO)[C@H](O)C1 39038561 571870704 /nfs/dbraw/zinc/87/07/04/571870704.db2.gz YIDYJJZOFBLVOH-RKDXNWHRSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1cccc2c1NC(=O)[C@@]2(C)O 196122492 571870760 /nfs/dbraw/zinc/87/07/60/571870760.db2.gz HCVPCOYRORUPQF-JTQLQIEISA-N 0 0 177.203 1.155 10 0 ADAERN Nc1ccc2c(c1)[C@H]1OC(=O)C[C@@H]1C2 39039030 571870764 /nfs/dbraw/zinc/87/07/64/571870764.db2.gz XBXJLNCVZKEPEF-CPCISQLKSA-N 0 0 189.214 1.429 10 0 ADAERN Nc1cc(Cc2ccco2)[nH]n1 144916012 571870784 /nfs/dbraw/zinc/87/07/84/571870784.db2.gz RXSRLPRMQAINLT-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN C[C@H]1OC(=O)c2cc(O)ccc21 6490988 571870787 /nfs/dbraw/zinc/87/07/87/571870787.db2.gz HPOHKYINFMAJDE-RXMQYKEDSA-N 0 0 164.160 1.624 10 0 ADAERN COC(=O)Cc1cc[nH]c1C 196129592 571870797 /nfs/dbraw/zinc/87/07/97/571870797.db2.gz QCYBWDKXRRGXIV-UHFFFAOYSA-N 0 0 153.181 1.039 10 0 ADAERN O=c1[nH]c2occc2c2occc12 39038610 571870802 /nfs/dbraw/zinc/87/08/02/571870802.db2.gz VBGGNPUOCGKMHT-UHFFFAOYSA-N 0 0 175.143 1.867 10 0 ADAERN OC[C@H]1CCc2ccsc2[C@H]1O 39017854 571870807 /nfs/dbraw/zinc/87/08/07/571870807.db2.gz UZCFMFNQRWRZKG-SFYZADRCSA-N 0 0 184.260 1.336 10 0 ADAERN CCOC[C@@H]([NH3+])c1ccnn1C(C)C 300739841 571870830 /nfs/dbraw/zinc/87/08/30/571870830.db2.gz HKMHSKWHWCFKFL-SECBINFHSA-N 0 0 197.282 1.500 10 0 ADAERN Cc1ccc2c(c1)OC(C)(C)NC2=O 39018067 571870857 /nfs/dbraw/zinc/87/08/57/571870857.db2.gz MFSFLKPOEVKTQE-UHFFFAOYSA-N 0 0 191.230 1.853 10 0 ADAERN C[C@@H]1OC(=O)c2cc(O)ccc21 6499654 571870877 /nfs/dbraw/zinc/87/08/77/571870877.db2.gz HPOHKYINFMAJDE-YFKPBYRVSA-N 0 0 164.160 1.624 10 0 ADAERN OC[C@H]1CCc2ccsc2[C@@H]1O 39017856 571870878 /nfs/dbraw/zinc/87/08/78/571870878.db2.gz UZCFMFNQRWRZKG-HTQZYQBOSA-N 0 0 184.260 1.336 10 0 ADAERN COc1cc(O)c2c(c1)CCCO2 39017732 571870880 /nfs/dbraw/zinc/87/08/80/571870880.db2.gz ZOKBGVNJPFWXRN-UHFFFAOYSA-N 0 0 180.203 1.726 10 0 ADAERN O=C1CC[C@@H](O)CNc2ccccc21 39018072 571870881 /nfs/dbraw/zinc/87/08/81/571870881.db2.gz RRIVQVOTQZENTC-MRVPVSSYSA-N 0 0 191.230 1.436 10 0 ADAERN C=COCCC(C)=O 196137538 571870882 /nfs/dbraw/zinc/87/08/82/571870882.db2.gz LDUNQGFUZNSNLO-UHFFFAOYSA-N 0 0 114.144 1.126 10 0 ADAERN COc1ccc2c(c1OC)OCC2 39017733 571870885 /nfs/dbraw/zinc/87/08/85/571870885.db2.gz QNNNEBRGLQVQSF-UHFFFAOYSA-N 0 0 180.203 1.639 10 0 ADAERN Cc1cnccc(Cl)c1=O 39038263 571870888 /nfs/dbraw/zinc/87/08/88/571870888.db2.gz PPPRKSASNYJGPL-UHFFFAOYSA-N 0 0 155.584 1.404 10 0 ADAERN Cc1cn(C)c2nc(N)nc(Cl)c12 39018268 571870895 /nfs/dbraw/zinc/87/08/95/571870895.db2.gz OLGJSEQNUCLKRT-UHFFFAOYSA-N 0 0 196.641 1.512 10 0 ADAERN CCCc1cc2nc(C)[nH]c(=O)c2[nH]1 39018076 571870923 /nfs/dbraw/zinc/87/09/23/571870923.db2.gz XPFVANBBVVCEAY-UHFFFAOYSA-N 0 0 191.234 1.512 10 0 ADAERN CC(=O)[C@@H]1CC=C(C)[C@H](O)C1 196129804 571872217 /nfs/dbraw/zinc/87/22/17/571872217.db2.gz UEAWHAUBAUYFAX-RKDXNWHRSA-N 0 0 154.209 1.293 10 0 ADAERN CC(C)C[C@H](C)C[C@@H](O)c1cn[nH]n1 300739476 571870928 /nfs/dbraw/zinc/87/09/28/571870928.db2.gz AQYHZKLOELSBBI-WCBMZHEXSA-N 0 0 197.282 1.910 10 0 ADAERN C[C@@H]1OC(=O)c2cccc(O)c21 6499632 571870929 /nfs/dbraw/zinc/87/09/29/571870929.db2.gz MTRCQNXJOTYOSE-YFKPBYRVSA-N 0 0 164.160 1.624 10 0 ADAERN Nc1ccc2c(c1)[C@@H]1OC(=O)C[C@H]1C2 39039033 571870950 /nfs/dbraw/zinc/87/09/50/571870950.db2.gz XBXJLNCVZKEPEF-RDDDGLTNSA-N 0 0 189.214 1.429 10 0 ADAERN Cc1cc(O)c(C(C)(C)O)cc1O 39017795 571870952 /nfs/dbraw/zinc/87/09/52/571870952.db2.gz NEYYQMURWFWLNQ-UHFFFAOYSA-N 0 0 182.219 1.634 10 0 ADAERN CCOc1cnc(C(C)=O)o1 39038250 571870954 /nfs/dbraw/zinc/87/09/54/571870954.db2.gz VFWHCIIXRILVOM-UHFFFAOYSA-N 0 0 155.153 1.276 10 0 ADAERN COCCCC(=O)C1(O)CCCC1 234664013 571870966 /nfs/dbraw/zinc/87/09/66/571870966.db2.gz FODOMVQIOAPORH-UHFFFAOYSA-N 0 0 186.251 1.287 10 0 ADAERN C[C@H]1SC[C@H](CO)S1 6495369 571872220 /nfs/dbraw/zinc/87/22/20/571872220.db2.gz GCUUMAUAMZDMIG-WHFBIAKZSA-N 0 0 150.268 1.173 10 0 ADAERN OCCC[C@@H]1CCCCCO1 39038303 571870970 /nfs/dbraw/zinc/87/09/70/571870970.db2.gz LYQRHAAWFFYBSD-VIFPVBQESA-N 0 0 158.241 1.718 10 0 ADAERN CC[C@H](NC=O)c1ccccc1 6440547 571870982 /nfs/dbraw/zinc/87/09/82/571870982.db2.gz UERJGKDKJBSKQN-JTQLQIEISA-N 0 0 163.220 1.884 10 0 ADAERN Cc1cc2c(cc1C)C[S@](=O)OC2 39018245 571870996 /nfs/dbraw/zinc/87/09/96/571870996.db2.gz QSDIBSZBTDWMRK-ZDUSSCGKSA-N 0 0 196.271 1.997 10 0 ADAERN CCCC1=NC[C@](C)(CO)CO1 196138249 571871011 /nfs/dbraw/zinc/87/10/11/571871011.db2.gz VWGNQAWQCMWLAG-SECBINFHSA-N 0 0 171.240 1.214 10 0 ADAERN c1ccc2c(c1)nnc1ccnn12 6584422 571871014 /nfs/dbraw/zinc/87/10/14/571871014.db2.gz FTJUUZHOFNHTDJ-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN CC1=NO[C@](CO)(c2ccccc2)C1 196128150 571871016 /nfs/dbraw/zinc/87/10/16/571871016.db2.gz DHDUYRIZWSHZNJ-LLVKDONJSA-N 0 0 191.230 1.670 10 0 ADAERN CCOCCC(=O)[C@H](C)CSC 300740644 571871018 /nfs/dbraw/zinc/87/10/18/571871018.db2.gz AJNBLTINPXQEPF-MRVPVSSYSA-N 0 0 190.308 1.981 10 0 ADAERN CCC1([C@@H](C)C[C@H](C)O)OCCO1 39017983 571871023 /nfs/dbraw/zinc/87/10/23/571871023.db2.gz XPZMBKNXWXLRKR-IUCAKERBSA-N 0 0 188.267 1.547 10 0 ADAERN O=C1Nc2ccccc2[C@@H]2C=C[C@@H]12 196134684 571871037 /nfs/dbraw/zinc/87/10/37/571871037.db2.gz IRYQHHUDNRYHNG-IONNQARKSA-N 0 0 171.199 1.908 10 0 ADAERN COC(=O)Cc1[nH]ccc1C 139081621 571871063 /nfs/dbraw/zinc/87/10/63/571871063.db2.gz JGUYMTYVIBZUHP-UHFFFAOYSA-N 0 0 153.181 1.039 10 0 ADAERN CCC[C@@H](OC)c1ncc(N)c(C)n1 300739857 571871067 /nfs/dbraw/zinc/87/10/67/571871067.db2.gz MVGLGBFSTAFEDI-SECBINFHSA-N 0 0 195.266 1.855 10 0 ADAERN O=C1CSC(=S)SC1 196135477 571871122 /nfs/dbraw/zinc/87/11/22/571871122.db2.gz URCOAHDYMUYFNE-UHFFFAOYSA-N 0 0 164.276 1.320 10 0 ADAERN Nc1n[nH]c(C=Cc2ccccc2)n1 6529052 571871131 /nfs/dbraw/zinc/87/11/31/571871131.db2.gz XDLNOKOSELLFJT-VOTSOKGWSA-N 0 0 186.218 1.557 10 0 ADAERN CC(C)(C)OC(=O)/C=C\CCO 214578353 571871144 /nfs/dbraw/zinc/87/11/44/571871144.db2.gz PKAOVWFTMVZYBI-XQRVVYSFSA-N 0 0 172.224 1.267 10 0 ADAERN CC[C@H](O)[C@]1(C)CCCCC1=O 39017536 571871147 /nfs/dbraw/zinc/87/11/47/571871147.db2.gz DNSSVAGOWPOEJQ-WPRPVWTQSA-N 0 0 170.252 1.907 10 0 ADAERN O=C([O-])c1cn(CCCC2CC2)cn1 300739846 571871154 /nfs/dbraw/zinc/87/11/54/571871154.db2.gz MUGLJIXDJHZTGN-UHFFFAOYSA-N 0 0 194.234 1.772 10 0 ADAERN C[S@@](=O)[C@@H](CO)c1ccccc1 196139023 571871164 /nfs/dbraw/zinc/87/11/64/571871164.db2.gz JNXNZYXAOMISNY-JOYOIKCWSA-N 0 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/nfs/dbraw/zinc/87/12/66/571871266.db2.gz YIDYJJZOFBLVOH-BDAKNGLRSA-N 0 0 172.268 1.556 10 0 ADAERN CC1(C)CC[C@@H](CCO)[C@@H](O)C1 39038564 571871271 /nfs/dbraw/zinc/87/12/71/571871271.db2.gz YIDYJJZOFBLVOH-IUCAKERBSA-N 0 0 172.268 1.556 10 0 ADAERN CCCC1=NC[C@@](C)(CO)CO1 196138245 571871277 /nfs/dbraw/zinc/87/12/77/571871277.db2.gz VWGNQAWQCMWLAG-VIFPVBQESA-N 0 0 171.240 1.214 10 0 ADAERN CN(C)c1ccnc2ccoc12 39038354 571871279 /nfs/dbraw/zinc/87/12/79/571871279.db2.gz LIBALPMJJWFFED-UHFFFAOYSA-N 0 0 162.192 1.894 10 0 ADAERN CC1=NO[C@@](CO)(c2ccccc2)C1 196128143 571871302 /nfs/dbraw/zinc/87/13/02/571871302.db2.gz DHDUYRIZWSHZNJ-NSHDSACASA-N 0 0 191.230 1.670 10 0 ADAERN [O-][n+]1cc(CF)ccc1Cl 39038342 571871323 /nfs/dbraw/zinc/87/13/23/571871323.db2.gz AUNNMQWPZQORAI-UHFFFAOYSA-N 0 0 161.563 1.443 10 0 ADAERN OCc1cn(CCc2ccco2)cn1 300740494 571871338 /nfs/dbraw/zinc/87/13/38/571871338.db2.gz NBFSNNGNBTUPLS-UHFFFAOYSA-N 0 0 192.218 1.211 10 0 ADAERN CN1Sc2ccccc2[S@@]1=O 6481141 571871369 /nfs/dbraw/zinc/87/13/69/571871369.db2.gz NLUMVGZNRLTACH-LLVKDONJSA-N 0 0 185.273 1.662 10 0 ADAERN CC(=O)Nc1ccc(F)c2nonc12 39018195 571871372 /nfs/dbraw/zinc/87/13/72/571871372.db2.gz DFOJRRQUYXTHJM-UHFFFAOYSA-N 0 0 195.153 1.320 10 0 ADAERN COCC[C@@H](O)C1=CCCCC1 234663727 571871378 /nfs/dbraw/zinc/87/13/78/571871378.db2.gz WABJVYIZSIVBLC-SNVBAGLBSA-N 0 0 170.252 1.884 10 0 ADAERN O=C1C[C@H](O)C[C@H](c2ccccc2)O1 39018096 571871382 /nfs/dbraw/zinc/87/13/82/571871382.db2.gz YLSYWCHDUMVJIL-NXEZZACHSA-N 0 0 192.214 1.426 10 0 ADAERN C[C@@H](C(=O)[O-])[NH+](C1CC1)C1CC1 687726589 571871413 /nfs/dbraw/zinc/87/14/13/571871413.db2.gz DEHQIPVVYAMXTE-LURJTMIESA-N 0 0 169.224 1.086 10 0 ADAERN C[C@@H](CO)C(=O)C(C)(C)C 39038157 571871426 /nfs/dbraw/zinc/87/14/26/571871426.db2.gz SSKBRYOEAYVUGR-LURJTMIESA-N 0 0 144.214 1.230 10 0 ADAERN CNC(=O)c1c(C)cc(C)nc1NC 196136003 571871431 /nfs/dbraw/zinc/87/14/31/571871431.db2.gz FVOZAUAGILSMLW-UHFFFAOYSA-N 0 0 193.250 1.100 10 0 ADAERN C[C@@H]1CN(c2ccccc2)C(=O)N1 39038642 571871440 /nfs/dbraw/zinc/87/14/40/571871440.db2.gz JVMIRQHORFJBGJ-MRVPVSSYSA-N 0 0 176.219 1.605 10 0 ADAERN O=C1CCC[C@@]1(O)c1ccccc1 39038636 571871452 /nfs/dbraw/zinc/87/14/52/571871452.db2.gz JLECCXUJWYXKRG-LLVKDONJSA-N 0 0 176.215 1.627 10 0 ADAERN CCCCN1N[C@@H]1CC 196129993 571871461 /nfs/dbraw/zinc/87/14/61/571871461.db2.gz HBLIDEYTCADIEG-JAVCKPHESA-N 0 0 128.219 1.343 10 0 ADAERN COCC(=O)c1c(C)cc(C)cc1N 39018136 571871463 /nfs/dbraw/zinc/87/14/63/571871463.db2.gz MEWIGSQXDMZZSU-UHFFFAOYSA-N 0 0 193.246 1.715 10 0 ADAERN COC1(OC)CC[C@]1(O)C1CCC1 711030835 571871464 /nfs/dbraw/zinc/87/14/64/571871464.db2.gz UFFQCBFYSZDYFR-VIFPVBQESA-N 0 0 186.251 1.301 10 0 ADAERN CCCCC[C@]1(C)OC(=O)N=C1N 301046307 571871474 /nfs/dbraw/zinc/87/14/74/571871474.db2.gz YJLPJWDWKVHHPG-VIFPVBQESA-N 0 0 184.239 1.833 10 0 ADAERN Cc1nc(Cc2ccccc2)ncc1N 300739894 571871476 /nfs/dbraw/zinc/87/14/76/571871476.db2.gz MWCXNJYTXBIHDL-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN OC[C@@H]1CCc2ccsc2[C@H]1O 39017855 571871545 /nfs/dbraw/zinc/87/15/45/571871545.db2.gz UZCFMFNQRWRZKG-YUMQZZPRSA-N 0 0 184.260 1.336 10 0 ADAERN C[C@H](C(=O)[O-])[N@@H+](C1CCC1)C1CC1 687726579 571871565 /nfs/dbraw/zinc/87/15/65/571871565.db2.gz BZCNUECONITQRF-SSDOTTSWSA-N 0 0 183.251 1.476 10 0 ADAERN OCC[C@@H]1CCC=CCO1 39038147 571871570 /nfs/dbraw/zinc/87/15/70/571871570.db2.gz XTJGVYSUZKQLJV-QMMMGPOBSA-N 0 0 142.198 1.104 10 0 ADAERN O=C(C1CC=CC1)[C@H](O)C1CC=CC1 39018110 571871602 /nfs/dbraw/zinc/87/16/02/571871602.db2.gz VDMPEBOYRBPJDO-LLVKDONJSA-N 0 0 192.258 1.849 10 0 ADAERN CNC(=O)/C=C/c1cnccc1Cl 713798269 571871603 /nfs/dbraw/zinc/87/16/03/571871603.db2.gz YTYXWNGYIHFGJR-NSCUHMNNSA-N 0 0 196.637 1.494 10 0 ADAERN OC[C@@H]1CCc2ccsc2[C@@H]1O 39017857 571871607 /nfs/dbraw/zinc/87/16/07/571871607.db2.gz UZCFMFNQRWRZKG-JGVFFNPUSA-N 0 0 184.260 1.336 10 0 ADAERN OC[C@H]1Cc2cc3ccccc3n2C1 39017941 571871609 /nfs/dbraw/zinc/87/16/09/571871609.db2.gz XBPTULRKNULCHF-VIFPVBQESA-N 0 0 187.242 1.806 10 0 ADAERN C[S@](=O)[C@@H](CO)c1ccccc1 196139030 571871616 /nfs/dbraw/zinc/87/16/16/571871616.db2.gz JNXNZYXAOMISNY-CABZTGNLSA-N 0 0 184.260 1.099 10 0 ADAERN CC(C)NC(=O)O[C@@H](C)C1CC1 205439332 571871628 /nfs/dbraw/zinc/87/16/28/571871628.db2.gz NFRZJTYBSKSPOH-ZETCQYMHSA-N 0 0 171.240 1.920 10 0 ADAERN Cc1ccc(-c2n[nH]nc2N)cc1 39017613 571871633 /nfs/dbraw/zinc/87/16/33/571871633.db2.gz RQRKEEGUOVZQRL-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CCOCCC(=O)[C@@H](C)CSC 300740646 571871661 /nfs/dbraw/zinc/87/16/61/571871661.db2.gz AJNBLTINPXQEPF-QMMMGPOBSA-N 0 0 190.308 1.981 10 0 ADAERN COC(=O)C(=O)[C@H](F)c1ccccc1 39039266 571871721 /nfs/dbraw/zinc/87/17/21/571871721.db2.gz FDZYBAUITTUEGR-MRVPVSSYSA-N 0 0 196.177 1.439 10 0 ADAERN CC1(C)C(=O)CCC=C1CCO 39038457 571871727 /nfs/dbraw/zinc/87/17/27/571871727.db2.gz IXAHOXLGHQBBAD-UHFFFAOYSA-N 0 0 168.236 1.684 10 0 ADAERN CSC(=N)c1ccc(O)cc1O 6485241 571872075 /nfs/dbraw/zinc/87/20/75/571872075.db2.gz LIFLJAJGOAUNSM-UHFFFAOYSA-N 0 0 183.232 1.786 10 0 ADAERN Cn1ncc2cc3c(nc21)CCC3 196122716 571871753 /nfs/dbraw/zinc/87/17/53/571871753.db2.gz IDGGDWNESAPNKU-UHFFFAOYSA-N 0 0 173.219 1.457 10 0 ADAERN CCOC[C@H]([NH3+])c1ccnn1C(C)C 300739842 571871760 /nfs/dbraw/zinc/87/17/60/571871760.db2.gz HKMHSKWHWCFKFL-VIFPVBQESA-N 0 0 197.282 1.500 10 0 ADAERN Nc1n[nH]cc1NCCc1ccco1 42587258 571871767 /nfs/dbraw/zinc/87/17/67/571871767.db2.gz KHPZFMFZCQRIOP-UHFFFAOYSA-N 0 0 192.222 1.240 10 0 ADAERN C[C@H](O)C(=O)c1cccc(C=O)c1 39038685 571871768 /nfs/dbraw/zinc/87/17/68/571871768.db2.gz SYQMYCLUEINSRN-ZETCQYMHSA-N 0 0 178.187 1.063 10 0 ADAERN C[Si](C)(C)c1ccc[nH]1 196122717 571871770 /nfs/dbraw/zinc/87/17/70/571871770.db2.gz FTCHSXVKVGGWCW-UHFFFAOYSA-N 0 0 139.274 1.560 10 0 ADAERN CCC(=O)[C@@H]1CCC[C@@]1(O)CC 39017544 571871783 /nfs/dbraw/zinc/87/17/83/571871783.db2.gz HWKBMRLEGGNAFQ-WPRPVWTQSA-N 0 0 170.252 1.907 10 0 ADAERN O=C(C1CC=CC1)[C@@H](O)C1CC=CC1 39018109 571871800 /nfs/dbraw/zinc/87/18/00/571871800.db2.gz VDMPEBOYRBPJDO-NSHDSACASA-N 0 0 192.258 1.849 10 0 ADAERN O=C1C[C@@H]2CCc3cccc(O)c3N12 39039037 571871805 /nfs/dbraw/zinc/87/18/05/571871805.db2.gz XLCUUOXMTSGXFS-QMMMGPOBSA-N 0 0 189.214 1.444 10 0 ADAERN CC[C@@H]1C(=O)N[C@H]1Cc1ccccc1 39018013 571871813 /nfs/dbraw/zinc/87/18/13/571871813.db2.gz FAFHHUMXOSAYBA-QWRGUYRKSA-N 0 0 189.258 1.754 10 0 ADAERN O=Cc1ccc2c(c1O)CCC[C@@H]2O 196139326 571871830 /nfs/dbraw/zinc/87/18/30/571871830.db2.gz SDKYNABEHHQHMP-JTQLQIEISA-N 0 0 192.214 1.574 10 0 ADAERN S=C1NCCCc2ccccc2N1 196122926 571871864 /nfs/dbraw/zinc/87/18/64/571871864.db2.gz QVVSCLPXLOSVKU-UHFFFAOYSA-N 0 0 192.287 1.919 10 0 ADAERN Oc1c2c(cc3c1OCC3)CCO2 39017679 571871869 /nfs/dbraw/zinc/87/18/69/571871869.db2.gz FHAJGAHJHLATEF-UHFFFAOYSA-N 0 0 178.187 1.262 10 0 ADAERN CNC(=O)/C=C\c1cnccc1Cl 713798268 571871878 /nfs/dbraw/zinc/87/18/78/571871878.db2.gz YTYXWNGYIHFGJR-IHWYPQMZSA-N 0 0 196.637 1.494 10 0 ADAERN O=C1CCC[C@]1(O)c1ccccc1 39038637 571871891 /nfs/dbraw/zinc/87/18/91/571871891.db2.gz JLECCXUJWYXKRG-NSHDSACASA-N 0 0 176.215 1.627 10 0 ADAERN CCC1([C@H](C)C[C@H](C)O)OCCO1 39017984 571871923 /nfs/dbraw/zinc/87/19/23/571871923.db2.gz XPZMBKNXWXLRKR-BDAKNGLRSA-N 0 0 188.267 1.547 10 0 ADAERN O=Cc1ccc2c(c1O)CCC[C@H]2O 196139363 571871927 /nfs/dbraw/zinc/87/19/27/571871927.db2.gz SDKYNABEHHQHMP-SNVBAGLBSA-N 0 0 192.214 1.574 10 0 ADAERN CC(C)NC(=O)O[C@H](C)C1CC1 205439343 571871928 /nfs/dbraw/zinc/87/19/28/571871928.db2.gz NFRZJTYBSKSPOH-SSDOTTSWSA-N 0 0 171.240 1.920 10 0 ADAERN CO[C@H](C1CC1)[C@@H](C)CO 39038155 571871959 /nfs/dbraw/zinc/87/19/59/571871959.db2.gz CSDHYMXYDWXZSZ-XPUUQOCRSA-N 0 0 144.214 1.040 10 0 ADAERN C[C@@]12CCC(O)=C(C1)C(=O)C2 196127540 571871966 /nfs/dbraw/zinc/87/19/66/571871966.db2.gz XVMMOJLXPBVKFR-HZGVNTEJSA-N 0 0 152.193 1.335 10 0 ADAERN O=C1CC[C@H](O)CNc2ccccc21 39018071 571871995 /nfs/dbraw/zinc/87/19/95/571871995.db2.gz RRIVQVOTQZENTC-QMMMGPOBSA-N 0 0 191.230 1.436 10 0 ADAERN CC[C@@](C)(O)c1ccncc1 139080790 571872014 /nfs/dbraw/zinc/87/20/14/571872014.db2.gz CKZPTOHBDNSETM-SECBINFHSA-N 0 0 151.209 1.699 10 0 ADAERN CC[C@@H](O)[C@@]1(C)CCCCC1=O 39017539 571872028 /nfs/dbraw/zinc/87/20/28/571872028.db2.gz DNSSVAGOWPOEJQ-PSASIEDQSA-N 0 0 170.252 1.907 10 0 ADAERN CC(C)C[C@H](C)C[C@H](O)c1cn[nH]n1 300739477 571872043 /nfs/dbraw/zinc/87/20/43/571872043.db2.gz AQYHZKLOELSBBI-WPRPVWTQSA-N 0 0 197.282 1.910 10 0 ADAERN OC[C@]1(c2ccco2)CCCC[C@@H]1O 39039289 571872052 /nfs/dbraw/zinc/87/20/52/571872052.db2.gz XMPMSTOZIYZLEH-GXSJLCMTSA-N 0 0 196.246 1.445 10 0 ADAERN CC12[C@@H](CO)C3C[C@H]1[C@H]2C3 139097973 571872055 /nfs/dbraw/zinc/87/20/55/571872055.db2.gz FSVZQXRCKBSPOO-UUAUARBGSA-N 0 0 138.210 1.271 10 0 ADAERN c1coc(-c2ncnc3[nH]cnc23)c1 6536810 571872069 /nfs/dbraw/zinc/87/20/69/571872069.db2.gz PKWSICPNUOPWLB-UHFFFAOYSA-N 0 0 186.174 1.565 10 0 ADAERN CCC1([C@@H](C)C[C@@H](C)O)OCCO1 39017981 571872085 /nfs/dbraw/zinc/87/20/85/571872085.db2.gz XPZMBKNXWXLRKR-DTWKUNHWSA-N 0 0 188.267 1.547 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+](C1CCC1)C1CC1 687726580 571872089 /nfs/dbraw/zinc/87/20/89/571872089.db2.gz BZCNUECONITQRF-ZETCQYMHSA-N 0 0 183.251 1.476 10 0 ADAERN C/C(=C\CCC1(C)OCCO1)CO 39017917 571872095 /nfs/dbraw/zinc/87/20/95/571872095.db2.gz HUMWCTNDOODSPS-RUDMXATFSA-N 0 0 186.251 1.468 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@@H+](C1CC1)[C@H](C)C(=O)[O-] 687726661 571872354 /nfs/dbraw/zinc/87/23/54/571872354.db2.gz VBNQIVZLPYBUHI-MRTMQBJTSA-N 0 0 197.278 1.722 10 0 ADAERN CC[C@](C)(O)c1ccncc1 139080676 571872385 /nfs/dbraw/zinc/87/23/85/571872385.db2.gz CKZPTOHBDNSETM-VIFPVBQESA-N 0 0 151.209 1.699 10 0 ADAERN C[C@@H]1SC[C@@H](CO)S1 6488754 571872391 /nfs/dbraw/zinc/87/23/91/571872391.db2.gz GCUUMAUAMZDMIG-RFZPGFLSSA-N 0 0 150.268 1.173 10 0 ADAERN CCC(=C=O)c1ccccn1 39049658 571872396 /nfs/dbraw/zinc/87/23/96/571872396.db2.gz GEECJFMQWDVENC-UHFFFAOYSA-N 0 0 147.177 1.707 10 0 ADAERN O=C1CCCC[C@H]1[C@H](O)C(F)(F)F 139097739 571872444 /nfs/dbraw/zinc/87/24/44/571872444.db2.gz QYKJWBGZUCBSKG-VDTYLAMSSA-N 0 0 196.168 1.669 10 0 ADAERN CNc1cc(=O)c2ccccc2o1 196129842 571872472 /nfs/dbraw/zinc/87/24/72/571872472.db2.gz HRYINRYZCFFMCL-UHFFFAOYSA-N 0 0 175.187 1.835 10 0 ADAERN CC(C)=C1C[C@@H]1[C@H](C)O 139096352 571872473 /nfs/dbraw/zinc/87/24/73/571872473.db2.gz OGYHXTRSIYGZNH-POYBYMJQSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H]1C=CC=C[C@H](C)C1=O 196126874 571872476 /nfs/dbraw/zinc/87/24/76/571872476.db2.gz LQCRMLKFLQSYFH-YUMQZZPRSA-N 0 0 136.194 1.954 10 0 ADAERN c1cc2c(cn1)C1(CC1)ON2 39050221 571872502 /nfs/dbraw/zinc/87/25/02/571872502.db2.gz BSHKBMMEQBUWEY-UHFFFAOYSA-N 0 0 148.165 1.428 10 0 ADAERN CC1CCN(C(=O)CF)CC1 39054760 571872512 /nfs/dbraw/zinc/87/25/12/571872512.db2.gz JITDGAVKIIAAMP-UHFFFAOYSA-N 0 0 159.204 1.214 10 0 ADAERN Cc1conc1C 6491824 571872532 /nfs/dbraw/zinc/87/25/32/571872532.db2.gz AKUSZFPCJFNRSZ-UHFFFAOYSA-N 0 0 97.117 1.291 10 0 ADAERN CC/C(C)=C1/N=C(C)OC1=O 39057672 571872533 /nfs/dbraw/zinc/87/25/33/571872533.db2.gz QFHPNBOTKLKXMJ-FNORWQNLSA-N 0 0 153.181 1.646 10 0 ADAERN COC1CC(N[C@H](C)C(F)F)C1 234670773 571872556 /nfs/dbraw/zinc/87/25/56/571872556.db2.gz BQWMDMOYVAEUKZ-GRQBKTHUSA-N 0 0 179.210 1.407 10 0 ADAERN COC1(OC)CC[C@@]1(O)C1CCC1 711030829 571872602 /nfs/dbraw/zinc/87/26/02/571872602.db2.gz UFFQCBFYSZDYFR-SECBINFHSA-N 0 0 186.251 1.301 10 0 ADAERN COC1CC(N[C@@H](C)C(F)F)C1 234669752 571872618 /nfs/dbraw/zinc/87/26/18/571872618.db2.gz BQWMDMOYVAEUKZ-VTSJMVTISA-N 0 0 179.210 1.407 10 0 ADAERN CCC1(c2cccc(C)n2)OCCO1 139092028 571872627 /nfs/dbraw/zinc/87/26/27/571872627.db2.gz CFASVAMTUQDPIF-UHFFFAOYSA-N 0 0 193.246 2.000 10 0 ADAERN C=C(Cl)C(=O)N(C)Cc1ccoc1 401162331 571872632 /nfs/dbraw/zinc/87/26/32/571872632.db2.gz NVQSNNRSKDOEMR-UHFFFAOYSA-N 0 0 199.637 1.991 10 0 ADAERN CCc1cncc(O)c1C 39050280 571872637 /nfs/dbraw/zinc/87/26/37/571872637.db2.gz RSXXRIDBKFDFSI-UHFFFAOYSA-N 0 0 137.182 1.658 10 0 ADAERN CC(C)=CC(=O)N(C)C[C@H]1CCCO1 300742639 571872669 /nfs/dbraw/zinc/87/26/69/571872669.db2.gz CTEDBQJMKPHNSK-SNVBAGLBSA-N 0 0 197.278 1.590 10 0 ADAERN CCCCC1(C(=O)OCC)N=N1 39058822 571872685 /nfs/dbraw/zinc/87/26/85/571872685.db2.gz HWAKRSBHMCJYCO-UHFFFAOYSA-N 0 0 170.212 1.902 10 0 ADAERN CC(C)(C)CCCC(CO)CO 300741388 571872712 /nfs/dbraw/zinc/87/27/12/571872712.db2.gz ARWSWQQSQYEKNE-UHFFFAOYSA-N 0 0 174.284 1.804 10 0 ADAERN C1=Cc2nc3oncc3cc21 39051800 571872746 /nfs/dbraw/zinc/87/27/46/571872746.db2.gz OTHGMZHTASJFDI-UHFFFAOYSA-N 0 0 144.133 1.707 10 0 ADAERN CC(C)[C@@H](NN)c1ccnn1C(C)C 300749460 571872755 /nfs/dbraw/zinc/87/27/55/571872755.db2.gz JVLUBODHHNNBKT-SNVBAGLBSA-N 0 0 196.298 1.624 10 0 ADAERN CCSCc1ncc(N)c(CC)n1 300747455 571872769 /nfs/dbraw/zinc/87/27/69/571872769.db2.gz PPXMMYBRRXXNLE-UHFFFAOYSA-N 0 0 197.307 1.874 10 0 ADAERN Cc1ccc(C)c(=O)c(O)c1 39059172 571872802 /nfs/dbraw/zinc/87/28/02/571872802.db2.gz FUCLCGIYNRQERK-UHFFFAOYSA-N 0 0 150.177 1.369 10 0 ADAERN CSC[C@@H](C)[C@H](NN)C1CCC1 300749184 571872831 /nfs/dbraw/zinc/87/28/31/571872831.db2.gz FLTCMXVNGJPEKY-APPZFPTMSA-N 0 0 188.340 1.618 10 0 ADAERN CCCC[C@@H](O)c1cccc[n+]1[O-] 687806545 571872868 /nfs/dbraw/zinc/87/28/68/571872868.db2.gz PVKLWEMDRYEIBF-SNVBAGLBSA-N 0 0 181.235 1.544 10 0 ADAERN O[C@@H]1CC[C@H]2[C@H]3C=C[C@H](C3)[C@@H]21 39059182 571872890 /nfs/dbraw/zinc/87/28/90/571872890.db2.gz NZHBXAIWRAYMLP-LRPJSKTQSA-N 0 0 150.221 1.579 10 0 ADAERN O[C@@H](CCC1CCCC1)c1nc[nH]n1 300748642 571872892 /nfs/dbraw/zinc/87/28/92/571872892.db2.gz KGWUJDUDUILGIT-VIFPVBQESA-N 0 0 195.266 1.809 10 0 ADAERN CC1([C@@H](CC[C@@H]2CCOC2)NN)CC1 401164632 571872929 /nfs/dbraw/zinc/87/29/29/571872929.db2.gz UTHORFCTPFZGMP-NXEZZACHSA-N 0 0 198.310 1.435 10 0 ADAERN CC(C)[C@H](NN)c1ccnn1C(C)C 300749459 571873015 /nfs/dbraw/zinc/87/30/15/571873015.db2.gz JVLUBODHHNNBKT-JTQLQIEISA-N 0 0 196.298 1.624 10 0 ADAERN CCC[C@@H]1C[C@H]1n1cnc(CO)c1 300749718 571873041 /nfs/dbraw/zinc/87/30/41/571873041.db2.gz QSSZZQVAMIXEBW-PSASIEDQSA-N 0 0 180.251 1.737 10 0 ADAERN O[C@@]12CC[C@@H]1c1ccccc12 39058999 571873046 /nfs/dbraw/zinc/87/30/46/571873046.db2.gz VFAXRGMYEDYTFF-NXEZZACHSA-N 0 0 146.189 1.765 10 0 ADAERN COCCCC(=O)[C@H](O)C(C)(C)C 234674348 571873056 /nfs/dbraw/zinc/87/30/56/571873056.db2.gz XBCDVXFJZHJGBJ-VIFPVBQESA-N 0 0 188.267 1.389 10 0 ADAERN OC1C[C@@H]2CC[C@H](C1)C21N=N1 39059344 571873076 /nfs/dbraw/zinc/87/30/76/571873076.db2.gz GONYEYPXQBIREQ-MEKDEQNOSA-N 0 0 152.197 1.329 10 0 ADAERN CSC[C@H](C)[C@@H](NN)C1CCC1 300749187 571873102 /nfs/dbraw/zinc/87/31/02/571873102.db2.gz FLTCMXVNGJPEKY-IONNQARKSA-N 0 0 188.340 1.618 10 0 ADAERN CCOCCNC(=O)C=C(C)C 300750048 571873122 /nfs/dbraw/zinc/87/31/22/571873122.db2.gz GFLJDLUMBBIATK-UHFFFAOYSA-N 0 0 171.240 1.105 10 0 ADAERN CCC[C@H]1C[C@H]1n1cnc(CO)c1 300749720 571873144 /nfs/dbraw/zinc/87/31/44/571873144.db2.gz QSSZZQVAMIXEBW-WCBMZHEXSA-N 0 0 180.251 1.737 10 0 ADAERN CSc1ccc2nonc2c1 205469514 571873160 /nfs/dbraw/zinc/87/31/60/571873160.db2.gz RKFNOBHSQRGFDK-UHFFFAOYSA-N 0 0 166.205 1.945 10 0 ADAERN COC(C)(C)CCO[C@@H](C)[C@@H](C)O 234672469 571873932 /nfs/dbraw/zinc/87/39/32/571873932.db2.gz YENWRPHMAQUAPZ-BDAKNGLRSA-N 0 0 190.283 1.587 10 0 ADAERN O=NN1C[C@H]2C=C[C@@H]1CC2 196130780 571873219 /nfs/dbraw/zinc/87/32/19/571873219.db2.gz JCTYCNSTADNTQH-NKWVEPMBSA-N 0 0 138.170 1.318 10 0 ADAERN CCC[C@H]1C[C@@H]1n1cnc(CO)c1 300749721 571873235 /nfs/dbraw/zinc/87/32/35/571873235.db2.gz QSSZZQVAMIXEBW-WPRPVWTQSA-N 0 0 180.251 1.737 10 0 ADAERN CCc1cc(O)cnc1F 39050833 571873238 /nfs/dbraw/zinc/87/32/38/571873238.db2.gz AFCDGMDDDZLUGT-UHFFFAOYSA-N 0 0 141.145 1.489 10 0 ADAERN CCCc1nc(COC)ncc1N 300748963 571873254 /nfs/dbraw/zinc/87/32/54/571873254.db2.gz QLLXISVXNXJHIG-UHFFFAOYSA-N 0 0 181.239 1.158 10 0 ADAERN C[C@@H]1CN(O)C(C)(C)S1 39059044 571873278 /nfs/dbraw/zinc/87/32/78/571873278.db2.gz BFWHBIZBWASBLP-RXMQYKEDSA-N 0 0 147.243 1.549 10 0 ADAERN O=C1CSCCCSC1 6661505 571873282 /nfs/dbraw/zinc/87/32/82/571873282.db2.gz WQIVIHBPSVUIDX-UHFFFAOYSA-N 0 0 162.279 1.426 10 0 ADAERN CCC(=O)C(=O)Oc1ccccc1 113364425 571873295 /nfs/dbraw/zinc/87/32/95/571873295.db2.gz XQZSYYUROZMHIK-UHFFFAOYSA-N 0 0 178.187 1.571 10 0 ADAERN COc1ccc([C@]2(O)CC=NO2)cc1 205472882 571873302 /nfs/dbraw/zinc/87/33/02/571873302.db2.gz VFWGNNMDMZEXKK-JTQLQIEISA-N 0 0 193.202 1.246 10 0 ADAERN CCCc1nc(CCOC)ncc1N 300749347 571873304 /nfs/dbraw/zinc/87/33/04/571873304.db2.gz QQARCPCFARRHDL-UHFFFAOYSA-N 0 0 195.266 1.200 10 0 ADAERN CCOCc1ncc(N)c(CC)n1 300749716 571873309 /nfs/dbraw/zinc/87/33/09/571873309.db2.gz QSSRUCYBHNTHPB-UHFFFAOYSA-N 0 0 181.239 1.158 10 0 ADAERN C[C@@H]1CC(=O)Nc2cc(O)ccc21 6666277 571873322 /nfs/dbraw/zinc/87/33/22/571873322.db2.gz CRYJZNFNCRZNTD-ZCFIWIBFSA-N 0 0 177.203 1.838 10 0 ADAERN CC1=CCCN1C(=O)C(F)(F)F 39054894 571873934 /nfs/dbraw/zinc/87/39/34/571873934.db2.gz HGHGNWSWGKWPDE-UHFFFAOYSA-N 0 0 179.141 1.685 10 0 ADAERN CC(C)c1cc(N)cc(N)c1 39048616 571873349 /nfs/dbraw/zinc/87/33/49/571873349.db2.gz CDNWVKNRGVXDRL-UHFFFAOYSA-N 0 0 150.225 1.974 10 0 ADAERN O=NN1C[C@@H]2CC[C@H]1C2 196130717 571873359 /nfs/dbraw/zinc/87/33/59/571873359.db2.gz CXLNBAWAXYWZLC-RITPCOANSA-N 0 0 126.159 1.152 10 0 ADAERN COc1ccc([C@@]2(O)CC=NO2)cc1 205472896 571873366 /nfs/dbraw/zinc/87/33/66/571873366.db2.gz VFWGNNMDMZEXKK-SNVBAGLBSA-N 0 0 193.202 1.246 10 0 ADAERN COCCc1ncc(N)c(C(C)C)n1 300747546 571873392 /nfs/dbraw/zinc/87/33/92/571873392.db2.gz PRYXYIPPCUZJTK-UHFFFAOYSA-N 0 0 195.266 1.371 10 0 ADAERN COCCCC(=O)[C@@H](O)C(C)(C)C 234673653 571873406 /nfs/dbraw/zinc/87/34/06/571873406.db2.gz XBCDVXFJZHJGBJ-SECBINFHSA-N 0 0 188.267 1.389 10 0 ADAERN CC1(C)NC(=S)[C@@H]2CCC[C@H]2O1 196132921 571873415 /nfs/dbraw/zinc/87/34/15/571873415.db2.gz GVIQOVGJLRIAAU-RNFRBKRXSA-N 0 0 185.292 1.838 10 0 ADAERN CSCCCN(C)C(=O)C(F)F 300741403 571873468 /nfs/dbraw/zinc/87/34/68/571873468.db2.gz ATNUPZPEVSMGHC-UHFFFAOYSA-N 0 0 197.250 1.463 10 0 ADAERN C/C=C/CONC(=O)OCC 205460833 571873484 /nfs/dbraw/zinc/87/34/84/571873484.db2.gz AQCTXFGMWNWAFQ-HWKANZROSA-N 0 0 159.185 1.240 10 0 ADAERN CCOc1ccc(NC(C)=O)cc1O 6661209 571873497 /nfs/dbraw/zinc/87/34/97/571873497.db2.gz VMXIXYQJHNNZLH-UHFFFAOYSA-N 0 0 195.218 1.749 10 0 ADAERN CSC[C@H](C)[C@@H](CC1CC1)NN 300749567 571873506 /nfs/dbraw/zinc/87/35/06/571873506.db2.gz FTDSJMCUJGYOSF-IONNQARKSA-N 0 0 188.340 1.618 10 0 ADAERN CC[C@@H](Cc1ccccc1)NC=O 68582212 571873519 /nfs/dbraw/zinc/87/35/19/571873519.db2.gz QTHQSJLXYKRETJ-NSHDSACASA-N 0 0 177.247 1.754 10 0 ADAERN CC1=C2C=NC(=O)N=C2N=N1 39052455 571873521 /nfs/dbraw/zinc/87/35/21/571873521.db2.gz WEKOVIGZMYEQNI-UHFFFAOYSA-N 0 0 148.125 1.329 10 0 ADAERN CSC[C@@H](C)[C@@H](NN)C1CCC1 300749189 571873543 /nfs/dbraw/zinc/87/35/43/571873543.db2.gz FLTCMXVNGJPEKY-VXNVDRBHSA-N 0 0 188.340 1.618 10 0 ADAERN CC(=O)Nc1nn2cc(C)nc2s1 196130643 571873579 /nfs/dbraw/zinc/87/35/79/571873579.db2.gz GYNFIEWQGHGTDO-UHFFFAOYSA-N 0 0 196.235 1.058 10 0 ADAERN Cc1nc(C(C)C)cc(N(C)C)n1 205462325 571873586 /nfs/dbraw/zinc/87/35/86/571873586.db2.gz ACNQEZMWMNFYCK-UHFFFAOYSA-N 0 0 179.267 1.974 10 0 ADAERN Cc1cc(C)n(C)c1 6662011 571873596 /nfs/dbraw/zinc/87/35/96/571873596.db2.gz JAPNKJDKITTYLO-UHFFFAOYSA-N 0 0 109.172 1.642 10 0 ADAERN O[C@]1(c2ccc(Cl)cc2)CC=NO1 205472800 571873604 /nfs/dbraw/zinc/87/36/04/571873604.db2.gz VOUKOJCTZSDIMF-SECBINFHSA-N 0 0 197.621 1.891 10 0 ADAERN CCc1ccccc(O)c1=O 39059212 571873624 /nfs/dbraw/zinc/87/36/24/571873624.db2.gz JIIKXQBSTRJNBF-UHFFFAOYSA-N 0 0 150.177 1.315 10 0 ADAERN Cc1nc(C2CC2)c(C2CC2)c(=O)[nH]1 2507118 571873938 /nfs/dbraw/zinc/87/39/38/571873938.db2.gz FLJKQHRFKWEXAF-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN COCCOC[C@@H](O)CC1CCC1 234674331 571873631 /nfs/dbraw/zinc/87/36/31/571873631.db2.gz JPNMTZWPRZBJOW-JTQLQIEISA-N 0 0 188.267 1.201 10 0 ADAERN CCOC(=O)c1cn(C2(C)CC2)cn1 300749315 571873640 /nfs/dbraw/zinc/87/36/40/571873640.db2.gz QOEAQAVFIJUYLM-UHFFFAOYSA-N 0 0 194.234 1.569 10 0 ADAERN CCCC[C@H](O)c1cccc[n+]1[O-] 687806544 571873644 /nfs/dbraw/zinc/87/36/44/571873644.db2.gz PVKLWEMDRYEIBF-JTQLQIEISA-N 0 0 181.235 1.544 10 0 ADAERN CCCc1nc(COC)ncc1CO 300741487 571873655 /nfs/dbraw/zinc/87/36/55/571873655.db2.gz NLSDWMJJYJSKIZ-UHFFFAOYSA-N 0 0 196.250 1.068 10 0 ADAERN CN1CCc2ccccc2C(=O)C1 6625876 571873661 /nfs/dbraw/zinc/87/36/61/571873661.db2.gz MABPMVDWONZLAD-UHFFFAOYSA-N 0 0 175.231 1.357 10 0 ADAERN CC(C)=Cc1cnc(N)nc1 39053114 571873671 /nfs/dbraw/zinc/87/36/71/571873671.db2.gz WKXDSWJTTXBZJT-UHFFFAOYSA-N 0 0 149.197 1.482 10 0 ADAERN O[C@H](CCC1CCCC1)c1nc[nH]n1 300748641 571873728 /nfs/dbraw/zinc/87/37/28/571873728.db2.gz KGWUJDUDUILGIT-SECBINFHSA-N 0 0 195.266 1.809 10 0 ADAERN CSc1ccc(=S)n(C)n1 205458999 571873748 /nfs/dbraw/zinc/87/37/48/571873748.db2.gz RIFKVLXXATZGBR-UHFFFAOYSA-N 0 0 172.278 1.871 10 0 ADAERN C[C@@H](Cn1cnc(CO)c1)C1CC1 300748946 571873761 /nfs/dbraw/zinc/87/37/61/571873761.db2.gz QKTIRUNMRKONPU-QMMMGPOBSA-N 0 0 180.251 1.422 10 0 ADAERN CC[C@H](Cc1ccccc1)NC=O 68582215 571873768 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300749665 571874063 /nfs/dbraw/zinc/87/40/63/571874063.db2.gz FYHZRUFMPAKJAP-UHFFFAOYSA-N 0 0 173.281 1.384 10 0 ADAERN CC1=N[C@H](C2CCCC2)C(=O)O1 39058597 571874067 /nfs/dbraw/zinc/87/40/67/571874067.db2.gz YFDOJXURKYNQEH-MRVPVSSYSA-N 0 0 167.208 1.520 10 0 ADAERN COC(=O)[C@@]12N=NC[C@@H]1C2(C)C 39058707 571874101 /nfs/dbraw/zinc/87/41/01/571874101.db2.gz JSNTTWKRLLJLOB-XRGYYRRGSA-N 0 0 168.196 1.020 10 0 ADAERN CCC1=N/C(=C\C(C)C)C(=O)O1 39058583 571874137 /nfs/dbraw/zinc/87/41/37/571874137.db2.gz BLPOMCOLONRIGN-ALCCZGGFSA-N 0 0 167.208 1.892 10 0 ADAERN OCC(F)(F)C(F)(Cl)Cl 196132915 571874157 /nfs/dbraw/zinc/87/41/57/571874157.db2.gz BCLCDUUMGKLORQ-UHFFFAOYSA-N 0 0 182.956 1.715 10 0 ADAERN CCC[C@@H]1C[C@@H]1n1cnc(CO)c1 300749719 571874160 /nfs/dbraw/zinc/87/41/60/571874160.db2.gz QSSZZQVAMIXEBW-SCZZXKLOSA-N 0 0 180.251 1.737 10 0 ADAERN O[C@H]1CCC[N@H+](CCCC(F)F)C1 687872790 571874161 /nfs/dbraw/zinc/87/41/61/571874161.db2.gz HIZOSRPNJJLEST-QMMMGPOBSA-N 0 0 193.237 1.488 10 0 ADAERN O[C@H](/C(F)=C/F)c1ccccn1 39054841 571874180 /nfs/dbraw/zinc/87/41/80/571874180.db2.gz XRGACAOYFKXTOT-RPSMYOMKSA-N 0 0 171.146 1.895 10 0 ADAERN CC1([C@@H](CC[C@H]2CCOC2)NN)CC1 401164634 571874190 /nfs/dbraw/zinc/87/41/90/571874190.db2.gz UTHORFCTPFZGMP-VHSXEESVSA-N 0 0 198.310 1.435 10 0 ADAERN Cc1cc(C)c(C)c(S(N)(=O)=O)c1 39054588 571874197 /nfs/dbraw/zinc/87/41/97/571874197.db2.gz NJTAPRPTZXYYRJ-UHFFFAOYSA-N 0 0 199.275 1.259 10 0 ADAERN C[C@]1(O)C(=O)c2ccccc21 39059068 571874200 /nfs/dbraw/zinc/87/42/00/571874200.db2.gz CTPBOQVGRAEANU-SECBINFHSA-N 0 0 148.161 1.090 10 0 ADAERN CC1(C)NC(=S)[C@H]2CCC[C@H]2O1 196132927 571874228 /nfs/dbraw/zinc/87/42/28/571874228.db2.gz GVIQOVGJLRIAAU-NKWVEPMBSA-N 0 0 185.292 1.838 10 0 ADAERN COC[C@H](C)Cc1noc(Cl)n1 404125888 571874233 /nfs/dbraw/zinc/87/42/33/571874233.db2.gz PUORMBXPTZLZLD-RXMQYKEDSA-N 0 0 190.630 1.548 10 0 ADAERN CC1(C)NC(=S)[C@H]2CCC[C@@H]2O1 196132917 571874249 /nfs/dbraw/zinc/87/42/49/571874249.db2.gz 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VFCHMBGAWCUDFR-IVZWLZJFSA-N 0 0 150.221 1.890 10 0 ADAERN O[C@@H]1CCC[C@@H]2C=CC=C[C@H]12 39059173 571895088 /nfs/dbraw/zinc/89/50/88/571895088.db2.gz VFCHMBGAWCUDFR-LPEHRKFASA-N 0 0 150.221 1.890 10 0 ADAERN O[C@H]1OCC[C@@H](c2ccccc2)O1 39120293 571895116 /nfs/dbraw/zinc/89/51/16/571895116.db2.gz FTOUBDRVUUQBFH-UWVGGRQHSA-N 0 0 180.203 1.441 10 0 ADAERN Nc1nc2ccc(Cl)cc2[nH]c1=O 39117478 571895178 /nfs/dbraw/zinc/89/51/78/571895178.db2.gz OCEYVPCWKYHJMG-UHFFFAOYSA-N 0 0 195.609 1.159 10 0 ADAERN C1=CO[C@@]2(C1)Cc1cccn1C2 39081575 571895179 /nfs/dbraw/zinc/89/51/79/571895179.db2.gz APCWSGHQCLCHGJ-JTQLQIEISA-N 0 0 161.204 1.717 10 0 ADAERN COCCOCCCNn1cccc1 234694833 571895195 /nfs/dbraw/zinc/89/51/95/571895195.db2.gz AIMJUBHKAODPDL-UHFFFAOYSA-N 0 0 198.266 1.085 10 0 ADAERN CC1=C[C@H](C(N)=O)C(C)=CC1 39064750 571895197 /nfs/dbraw/zinc/89/51/97/571895197.db2.gz JPCMMJBAAJPKPJ-QMMMGPOBSA-N 0 0 151.209 1.384 10 0 ADAERN O[C@@H]1OCC[C@@H](c2ccccc2)O1 39120297 571895201 /nfs/dbraw/zinc/89/52/01/571895201.db2.gz FTOUBDRVUUQBFH-VHSXEESVSA-N 0 0 180.203 1.441 10 0 ADAERN CC[C@@H]1N=C(c2occc2C)NC1=O 233954502 571895213 /nfs/dbraw/zinc/89/52/13/571895213.db2.gz WFCKHVDVJNUOEL-ZETCQYMHSA-N 0 0 192.218 1.243 10 0 ADAERN CCCC[C@@H]1C[C@@H](C)O[C@@H]1O 196396327 571895215 /nfs/dbraw/zinc/89/52/15/571895215.db2.gz VLBPIQWNTUKENP-HLTSFMKQSA-N 0 0 158.241 1.920 10 0 ADAERN CC(=O)C[C@@H](O)[C@@H]1CCC=C[C@@H]1C 139161737 571895217 /nfs/dbraw/zinc/89/52/17/571895217.db2.gz BLPSKHWWAKYQJC-JMJZKYOTSA-N 0 0 182.263 1.929 10 0 ADAERN COC(=O)c1ccc2c(c1)OCC=C2 139181454 571895224 /nfs/dbraw/zinc/89/52/24/571895224.db2.gz BFQHHWVAIRSJOH-UHFFFAOYSA-N 0 0 190.198 1.879 10 0 ADAERN CCO[C@@H]1CN(C(C)C)CCO1 39104718 571899533 /nfs/dbraw/zinc/89/95/33/571899533.db2.gz UETUQXLPOJZQRP-VIFPVBQESA-N 0 0 173.256 1.090 10 0 ADAERN CCCN(C=O)c1cnoc1C 39082636 571895244 /nfs/dbraw/zinc/89/52/44/571895244.db2.gz RFHXYYDOLMHKII-UHFFFAOYSA-N 0 0 168.196 1.356 10 0 ADAERN O=C1C[C@@]23C=CC=C[C@]2(CN1)C3 196395960 571895246 /nfs/dbraw/zinc/89/52/46/571895246.db2.gz NXPXAQOBDMDJEN-NXEZZACHSA-N 0 0 161.204 1.009 10 0 ADAERN CC(=O)N1CCCCCC1=S 39069475 571895249 /nfs/dbraw/zinc/89/52/49/571895249.db2.gz ZXFICOHQGHCLLH-UHFFFAOYSA-N 0 0 171.265 1.736 10 0 ADAERN CCO[C@H](C)[C@@H](C)[C@@H](C)O 196395921 571895251 /nfs/dbraw/zinc/89/52/51/571895251.db2.gz PCVLSIWHLDTPHU-XLPZGREQSA-N 0 0 146.230 1.428 10 0 ADAERN C[C@H](O)[C@H](C)c1ccccc1N 139158906 571895329 /nfs/dbraw/zinc/89/53/29/571895329.db2.gz MUDMBMNTJINKMI-YUMQZZPRSA-N 0 0 165.236 1.753 10 0 ADAERN CCOC(=O)c1c(C)cn(N)c1CC 39084305 571895332 /nfs/dbraw/zinc/89/53/32/571895332.db2.gz RAMHUZILEAUDOF-UHFFFAOYSA-N 0 0 196.250 1.249 10 0 ADAERN Nc1nc2ccsc2c(=O)s1 39116928 571895339 /nfs/dbraw/zinc/89/53/39/571895339.db2.gz HBBKPKSSOOZDJJ-UHFFFAOYSA-N 0 0 184.245 1.300 10 0 ADAERN Cc1noc(C)c1-c1ccc(N)nn1 139179564 571895354 /nfs/dbraw/zinc/89/53/54/571895354.db2.gz SOQSZDTXOLDRNF-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN O[C@@H]1CCC[C@H]2C=CC=C[C@@H]21 39059174 571895356 /nfs/dbraw/zinc/89/53/56/571895356.db2.gz VFCHMBGAWCUDFR-KXUCPTDWSA-N 0 0 150.221 1.890 10 0 ADAERN CC(C)c1cc(=O)cco1 39120738 571895364 /nfs/dbraw/zinc/89/53/64/571895364.db2.gz CPUXMBKSJPOEBS-UHFFFAOYSA-N 0 0 138.166 1.763 10 0 ADAERN C[C@H](O)[C@@H](C)c1ccccc1N 139158820 571895395 /nfs/dbraw/zinc/89/53/95/571895395.db2.gz MUDMBMNTJINKMI-SFYZADRCSA-N 0 0 165.236 1.753 10 0 ADAERN C[C@H]1CCC[C@H]1CCO 196395930 571895407 /nfs/dbraw/zinc/89/54/07/571895407.db2.gz IUAKOHCTCFETNO-YUMQZZPRSA-N 0 0 128.215 1.805 10 0 ADAERN C[C@@H](O)[C@H](C)c1ccccc1N 139158729 571895415 /nfs/dbraw/zinc/89/54/15/571895415.db2.gz MUDMBMNTJINKMI-JGVFFNPUSA-N 0 0 165.236 1.753 10 0 ADAERN O[C@@H]1CSC2=C(CCC2)C1 196395957 571895454 /nfs/dbraw/zinc/89/54/54/571895454.db2.gz WEYUVAHBWFFNLJ-ZETCQYMHSA-N 0 0 156.250 1.922 10 0 ADAERN Cc1ccc2c(c1)COCO2 39120098 571895531 /nfs/dbraw/zinc/89/55/31/571895531.db2.gz AMZLAOHBQRCFQR-UHFFFAOYSA-N 0 0 150.177 1.862 10 0 ADAERN CC[C@@H]1NC(=O)C[C@H]1CC(C)(C)OC 300059920 571895541 /nfs/dbraw/zinc/89/55/41/571895541.db2.gz WCAGTXFCWPHNBG-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN Nc1nc2cc(Cl)ccc2[nH]c1=O 39117479 571895545 /nfs/dbraw/zinc/89/55/45/571895545.db2.gz WGLWRXNVOXBEID-UHFFFAOYSA-N 0 0 195.609 1.159 10 0 ADAERN OCC(CO)CCC1CCCCC1 300761417 571895377 /nfs/dbraw/zinc/89/53/77/571895377.db2.gz NSNCHNQJJAIWEV-UHFFFAOYSA-N 0 0 186.295 1.948 10 0 ADAERN CN1[C@H]2c3ccccc3C(=O)N21 39123988 571895602 /nfs/dbraw/zinc/89/56/02/571895602.db2.gz PDFLDKPAONMTMW-MFAVDMRSSA-N 0 0 160.176 1.001 10 0 ADAERN Cc1ccc2c(ccc(=O)n2O)c1 39121544 571895608 /nfs/dbraw/zinc/89/56/08/571895608.db2.gz HIGFPMJYWWGIGZ-UHFFFAOYSA-N 0 0 175.187 1.547 10 0 ADAERN NNCCCCC1CCOCC1 300760929 571895653 /nfs/dbraw/zinc/89/56/53/571895653.db2.gz NQSFZYNKNIMYDW-UHFFFAOYSA-N 0 0 172.272 1.047 10 0 ADAERN C=Cc1cc(CO)nc(Cl)c1[O-] 139172979 571895657 /nfs/dbraw/zinc/89/56/57/571895657.db2.gz ZSGQSNZEXWVAEA-UHFFFAOYSA-N 0 0 185.610 1.576 10 0 ADAERN CC(C)(O)[C@@]1(C)CCCCC1=O 39123682 571895662 /nfs/dbraw/zinc/89/56/62/571895662.db2.gz WIGKCYLXXANZDX-JTQLQIEISA-N 0 0 170.252 1.907 10 0 ADAERN O=P([O-])([O-])C[NH2+]C1CCCCC1 139187675 571895710 /nfs/dbraw/zinc/89/57/10/571895710.db2.gz WACLXTKURGITFM-UHFFFAOYSA-N 0 0 193.183 1.044 10 0 ADAERN COc1ccc([C@H](O)[C@H](C)OC)cn1 401242747 571895720 /nfs/dbraw/zinc/89/57/20/571895720.db2.gz WNLJHPOWGZFEFJ-OIBJUYFYSA-N 0 0 197.234 1.159 10 0 ADAERN CNC(=O)C1=Cc2ccccc2C1 39124132 571895727 /nfs/dbraw/zinc/89/57/27/571895727.db2.gz FDMDWLBOWQUWJC-UHFFFAOYSA-N 0 0 173.215 1.372 10 0 ADAERN CCOC(=O)C[C@@]1(O)CC[C@H](C)C1 70766752 571895730 /nfs/dbraw/zinc/89/57/30/571895730.db2.gz WQPYVZODSXZZCV-WCBMZHEXSA-N 0 0 186.251 1.491 10 0 ADAERN Cc1c(N)cc(N)cc1N=O 39118243 571895732 /nfs/dbraw/zinc/89/57/32/571895732.db2.gz VPJORBQFPBPLDB-UHFFFAOYSA-N 0 0 151.169 1.557 10 0 ADAERN Nc1n[nH]cc1-c1c(F)cccc1F 39117442 571895741 /nfs/dbraw/zinc/89/57/41/571895741.db2.gz HAEYWYOIUSKYBQ-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN CC1(C)OC[C@@H]2[C@H](CC=C[C@H]2O)O1 39116927 571895744 /nfs/dbraw/zinc/89/57/44/571895744.db2.gz YXIHHSYSBOFSGU-YIZRAAEISA-N 0 0 184.235 1.075 10 0 ADAERN C[C@@H]1CCC[C@H]([C@H](O)CCCO)C1 300059897 571895747 /nfs/dbraw/zinc/89/57/47/571895747.db2.gz VXDOUAZNZLNGRC-OUAUKWLOSA-N 0 0 186.295 1.946 10 0 ADAERN C1=C(CNCc2ncon2)CCC1 401179994 571895749 /nfs/dbraw/zinc/89/57/49/571895749.db2.gz TZUMHWDFJYCSER-UHFFFAOYSA-N 0 0 179.223 1.270 10 0 ADAERN C1=Cn2cc3c(c21)CN=C3 39077839 571895760 /nfs/dbraw/zinc/89/57/60/571895760.db2.gz RFLDHRGJUBLZBJ-UHFFFAOYSA-N 0 0 130.150 1.362 10 0 ADAERN CC[C@](C)(O)c1ccccc1CO 39120389 571895767 /nfs/dbraw/zinc/89/57/67/571895767.db2.gz JIFFZBJIGNFPPC-NSHDSACASA-N 0 0 180.247 1.796 10 0 ADAERN C1=Cn2c1cn1cccc21 39077837 571895771 /nfs/dbraw/zinc/89/57/71/571895771.db2.gz NSWSJCQDDNIZGX-UHFFFAOYSA-N 0 0 130.150 1.682 10 0 ADAERN CC(C)[C@@H](O)CC(=S)N(C)C 39124675 571895779 /nfs/dbraw/zinc/89/57/79/571895779.db2.gz ORERQIIINOXRND-ZETCQYMHSA-N 0 0 175.297 1.282 10 0 ADAERN CSC[C@H](C)C(=O)[C@@H]1CCCO1 300761330 571895795 /nfs/dbraw/zinc/89/57/95/571895795.db2.gz MOJXSBCTCYGWIY-YUMQZZPRSA-N 0 0 188.292 1.734 10 0 ADAERN COCn1ccccc1=S 39124497 571895802 /nfs/dbraw/zinc/89/58/02/571895802.db2.gz YWHDUVHDMNTVDK-UHFFFAOYSA-N 0 0 155.222 1.821 10 0 ADAERN C1=Cn2cc3c(c21)OCO3 39078194 571895811 /nfs/dbraw/zinc/89/58/11/571895811.db2.gz JTXZFKNEHAXGPS-UHFFFAOYSA-N 0 0 135.122 1.158 10 0 ADAERN CCO[C@H]1CCc2ncccc2O1 39120844 571895817 /nfs/dbraw/zinc/89/58/17/571895817.db2.gz DAIBXRUJPFPIDG-SNVBAGLBSA-N 0 0 179.219 1.769 10 0 ADAERN CCO[C@H](C)[C@H](CC)CO 196395879 571895834 /nfs/dbraw/zinc/89/58/34/571895834.db2.gz ILIUSZKBGIXFIH-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN CC(C)(O)[C@]1(C)CCCCC1=O 39123683 571895847 /nfs/dbraw/zinc/89/58/47/571895847.db2.gz WIGKCYLXXANZDX-SNVBAGLBSA-N 0 0 170.252 1.907 10 0 ADAERN CCc1nc2c(CC)c(CC)[nH]n2n1 39117265 571895861 /nfs/dbraw/zinc/89/58/61/571895861.db2.gz ZYWDRZRAVAGLDS-UHFFFAOYSA-N 0 0 192.266 1.745 10 0 ADAERN Cc1c(OCC2CC2)cc[n+]([O-])c1C 39117322 571895921 /nfs/dbraw/zinc/89/59/21/571895921.db2.gz RLBAQNBCRSCOOG-UHFFFAOYSA-N 0 0 193.246 1.726 10 0 ADAERN COC(=O)c1ccc2c(ccn2O)c1 196395122 571895931 /nfs/dbraw/zinc/89/59/31/571895931.db2.gz FORUADFILDNBGF-UHFFFAOYSA-N 0 0 191.186 1.665 10 0 ADAERN CCOC(=O)C[C@]1(O)CC[C@H](C)C1 70766750 571895944 /nfs/dbraw/zinc/89/59/44/571895944.db2.gz WQPYVZODSXZZCV-WPRPVWTQSA-N 0 0 186.251 1.491 10 0 ADAERN COC(=O)c1ccc(O)c2ccoc12 39117223 571896002 /nfs/dbraw/zinc/89/60/02/571896002.db2.gz BEIRKCUMZNIGIA-UHFFFAOYSA-N 0 0 192.170 1.925 10 0 ADAERN COC1(CC(=O)C2CC2)CCC1 234696934 571896004 /nfs/dbraw/zinc/89/60/04/571896004.db2.gz HQTIHAHILMUHGA-UHFFFAOYSA-N 0 0 168.236 1.925 10 0 ADAERN COC[C@H](C)[C@]1(O)CC[C@H](C)C1 70764577 571896013 /nfs/dbraw/zinc/89/60/13/571896013.db2.gz JJIHGHBHYTTWFM-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN COC[C@](C)(O)CCCC(F)F 687878441 571896053 /nfs/dbraw/zinc/89/60/53/571896053.db2.gz QDGCKHZHTJORJJ-MRVPVSSYSA-N 0 0 182.210 1.819 10 0 ADAERN OCCCCOc1cccnc1 39089661 571896068 /nfs/dbraw/zinc/89/60/68/571896068.db2.gz YDAOEFRUKZPMNU-UHFFFAOYSA-N 0 0 167.208 1.233 10 0 ADAERN CCC1(CC)CCO[C@H]1O 196396100 571896085 /nfs/dbraw/zinc/89/60/85/571896085.db2.gz HKFYWOSUJNGFPO-SSDOTTSWSA-N 0 0 144.214 1.532 10 0 ADAERN CSC[C@@H](C)C(=O)[C@@H]1CCCO1 300761327 571896088 /nfs/dbraw/zinc/89/60/88/571896088.db2.gz MOJXSBCTCYGWIY-SFYZADRCSA-N 0 0 188.292 1.734 10 0 ADAERN C[C@@H]1CC[C@H](C(C)(C)O)[C@H](NC=O)C1 39117721 571896110 /nfs/dbraw/zinc/89/61/10/571896110.db2.gz KHTFSBWALGRIKX-KXUCPTDWSA-N 0 0 199.294 1.308 10 0 ADAERN CCC(=O)CC(=S)N(C)C 39124504 571896114 /nfs/dbraw/zinc/89/61/14/571896114.db2.gz ZNSZVKWBUDKOBP-UHFFFAOYSA-N 0 0 159.254 1.245 10 0 ADAERN Cc1c(O)ccc2c1C(=O)OC2 39120512 571896118 /nfs/dbraw/zinc/89/61/18/571896118.db2.gz LLBRRUJCDXGODT-UHFFFAOYSA-N 0 0 164.160 1.371 10 0 ADAERN 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CCn1ccc(N)c1 39118315 571896251 /nfs/dbraw/zinc/89/62/51/571896251.db2.gz ZIDVMTMIRTVAII-UHFFFAOYSA-N 0 0 110.160 1.090 10 0 ADAERN O=C1C[C@]23C=CC=C[C@@]2(CN1)C3 196395932 571896256 /nfs/dbraw/zinc/89/62/56/571896256.db2.gz NXPXAQOBDMDJEN-UWVGGRQHSA-N 0 0 161.204 1.009 10 0 ADAERN CC[C@H]1C[C@]1(C(C)=O)C(=O)OC 39072689 571896263 /nfs/dbraw/zinc/89/62/63/571896263.db2.gz YWAQABOXWRBDKC-IONNQARKSA-N 0 0 170.208 1.165 10 0 ADAERN CC1(C)CCC[C@@]2(C)OC(=O)[C@@H](O)[C@@H]12 39117665 571896311 /nfs/dbraw/zinc/89/63/11/571896311.db2.gz DLSNSRJOBADLTI-DKCNOQQISA-N 0 0 198.262 1.489 10 0 ADAERN CSc1cc2c(nn1)NC(=O)CC2 39117460 571896325 /nfs/dbraw/zinc/89/63/25/571896325.db2.gz KZWMXGSYNILOBS-UHFFFAOYSA-N 0 0 195.247 1.083 10 0 ADAERN CN(C)n1c(=O)ccc2ccccc21 39121517 571896331 /nfs/dbraw/zinc/89/63/31/571896331.db2.gz OIRFCOOSSXHQPN-UHFFFAOYSA-N 0 0 188.230 1.199 10 0 ADAERN Cc1cc(OCCO)c(C)c(C)c1O 39117515 571896339 /nfs/dbraw/zinc/89/63/39/571896339.db2.gz VISQLWLIRAMSQE-UHFFFAOYSA-N 0 0 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0 ADAERN Cc1cc(C)c2no[n+]([O-])c2c1 39133570 571899817 /nfs/dbraw/zinc/89/98/17/571899817.db2.gz RPNSEGHHPKKGCM-UHFFFAOYSA-N 0 0 164.164 1.078 10 0 ADAERN C[C@H]([NH3+])C(=O)c1ccc([O-])c(Cl)c1 39134960 571899828 /nfs/dbraw/zinc/89/98/28/571899828.db2.gz DRQJRAGUCHRIMZ-YFKPBYRVSA-N 0 0 199.637 1.576 10 0 ADAERN CC[C@H]1C[C@@](O)(C2=COCCC2)CO1 711128059 571899841 /nfs/dbraw/zinc/89/98/41/571899841.db2.gz GPVYKSRMVUZWDR-QWRGUYRKSA-N 0 0 198.262 1.611 10 0 ADAERN C[C@H]1CCCc2c(N)n[nH]c21 39133737 571899845 /nfs/dbraw/zinc/89/98/45/571899845.db2.gz SXTZUZMJVXAFKO-YFKPBYRVSA-N 0 0 151.213 1.432 10 0 ADAERN CCO[C@@H]1COCCN1C(C)C 39104649 571899863 /nfs/dbraw/zinc/89/98/63/571899863.db2.gz QJNBHKBIOPERGA-SECBINFHSA-N 0 0 173.256 1.090 10 0 ADAERN C[C@@H]1CCC[C@@H](COC(=O)CN)C1 300765622 571899872 /nfs/dbraw/zinc/89/98/72/571899872.db2.gz OQEAWBFWLBVICT-RKDXNWHRSA-N 0 0 185.267 1.315 10 0 ADAERN CC(=O)O[C@]1(C)C[C@@H](C)N=N1 39133986 571899879 /nfs/dbraw/zinc/89/98/79/571899879.db2.gz BMLFWDKTKCUIMU-IYSWYEEDSA-N 0 0 156.185 1.510 10 0 ADAERN CC[C@@](C)(O)[C@@H](O)CCC1CC1 233959715 571899884 /nfs/dbraw/zinc/89/98/84/571899884.db2.gz WDSZNEBDVRXIQX-VHSXEESVSA-N 0 0 172.268 1.699 10 0 ADAERN COCC(C)(C)C[C@H](N)C(F)(F)F 712652159 571899939 /nfs/dbraw/zinc/89/99/39/571899939.db2.gz ZIJFECSTOTXECT-LURJTMIESA-N 0 0 199.216 1.939 10 0 ADAERN CC[S@@](=O)c1cc(C)on1 39113050 571899953 /nfs/dbraw/zinc/89/99/53/571899953.db2.gz RSDDPSNYYMXAMG-JTQLQIEISA-N 0 0 159.210 1.111 10 0 ADAERN Cc1cccc2nc(N)c(N)nc12 39134268 571900003 /nfs/dbraw/zinc/90/00/03/571900003.db2.gz HHUQBIZFSOOSIB-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN O=Cc1cnc2cc(F)ccc2n1 39134265 571900020 /nfs/dbraw/zinc/90/00/20/571900020.db2.gz GBEBGPMNXHKEEW-UHFFFAOYSA-N 0 0 176.150 1.581 10 0 ADAERN COC(=O)CCCc1cnoc1 39113320 571900029 /nfs/dbraw/zinc/90/00/29/571900029.db2.gz YXDTYJGWORYRBV-UHFFFAOYSA-N 0 0 169.180 1.170 10 0 ADAERN Cc1ncnc2[nH]c(C(C)C)nc12 39132569 571900077 /nfs/dbraw/zinc/90/00/77/571900077.db2.gz ZDUQDRGNCVXDEE-UHFFFAOYSA-N 0 0 176.223 1.785 10 0 ADAERN C[C@H](CC1CC1)n1cnc(CO)c1 300765528 571900439 /nfs/dbraw/zinc/90/04/39/571900439.db2.gz XYXPXKDGYOZTIA-MRVPVSSYSA-N 0 0 180.251 1.737 10 0 ADAERN CC[C@H](C)/C=C\[C@@H](C)O 387809558 571900121 /nfs/dbraw/zinc/90/01/21/571900121.db2.gz GKWIFVCFOSTRLE-HFFNOEQQSA-N 0 0 128.215 1.970 10 0 ADAERN O=Cc1nc[nH]c1C(F)(F)F 39132751 571900158 /nfs/dbraw/zinc/90/01/58/571900158.db2.gz QCEZWPUNPKZMOE-UHFFFAOYSA-N 0 0 164.086 1.241 10 0 ADAERN CC(C)[C@]1(C)SCC(=O)N1C 39104699 571900162 /nfs/dbraw/zinc/90/01/62/571900162.db2.gz ZCVFMSUTXQBRHN-QMMMGPOBSA-N 0 0 173.281 1.564 10 0 ADAERN C[C@@H]1SCc2[nH]c(=O)[nH]c21 39132639 571900190 /nfs/dbraw/zinc/90/01/90/571900190.db2.gz TXUCOLMHMUHABH-VKHMYHEASA-N 0 0 156.210 1.011 10 0 ADAERN Cc1cc(C=O)cc2c1OCCO2 39135167 571900199 /nfs/dbraw/zinc/90/01/99/571900199.db2.gz VAZVOXRCXASBLG-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN CC1(C)CC(c2ccon2)=NO1 39113145 571900213 /nfs/dbraw/zinc/90/02/13/571900213.db2.gz CGUPPFOWWBECHH-UHFFFAOYSA-N 0 0 166.180 1.329 10 0 ADAERN Cc1cc(C)c2c(c1)no[n+]2[O-] 39133569 571900215 /nfs/dbraw/zinc/90/02/15/571900215.db2.gz PYJXZXWOQAASFU-UHFFFAOYSA-N 0 0 164.164 1.078 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[C@@H](C)[NH3+] 39135382 571900219 /nfs/dbraw/zinc/90/02/19/571900219.db2.gz YLAOMHAOVXRULZ-RQJHMYQMSA-N 0 0 159.229 1.081 10 0 ADAERN CCCc1nc([C@H](C)OC)ncc1N 300763284 571900255 /nfs/dbraw/zinc/90/02/55/571900255.db2.gz XERCLLHRTUVEDA-ZETCQYMHSA-N 0 0 195.266 1.719 10 0 ADAERN CC1=N[C@](O)(C(C)C)[C@H](C)S1 39104703 571900264 /nfs/dbraw/zinc/90/02/64/571900264.db2.gz RCVMTCHTVHCVPS-XPUUQOCRSA-N 0 0 173.281 1.885 10 0 ADAERN Cc1[nH]nc2c1CCCCC2 39133924 571900271 /nfs/dbraw/zinc/90/02/71/571900271.db2.gz WNKIONISJOAGGC-UHFFFAOYSA-N 0 0 150.225 1.987 10 0 ADAERN C[C@H](O)Nc1ccccc1 8488888 571900274 /nfs/dbraw/zinc/90/02/74/571900274.db2.gz ULZRKSDAMUWQEZ-ZETCQYMHSA-N 0 0 137.182 1.437 10 0 ADAERN Cc1ccc(N(O)C(N)=O)cc1 39133567 571900283 /nfs/dbraw/zinc/90/02/83/571900283.db2.gz CQRLSPHZAITAOI-UHFFFAOYSA-N 0 0 166.180 1.269 10 0 ADAERN CCOC1CC(n2cnc(CO)c2)C1 300764008 571900288 /nfs/dbraw/zinc/90/02/88/571900288.db2.gz XLVLIUCWKUAJHK-UHFFFAOYSA-N 0 0 196.250 1.115 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[C@H](C)[NH3+] 39135384 571900299 /nfs/dbraw/zinc/90/02/99/571900299.db2.gz YLAOMHAOVXRULZ-BQBZGAKWSA-N 0 0 159.229 1.081 10 0 ADAERN Cc1nn(C)c2c1CCCC2 39133871 571900336 /nfs/dbraw/zinc/90/03/36/571900336.db2.gz DQCYRLXJSPENPG-UHFFFAOYSA-N 0 0 150.225 1.607 10 0 ADAERN CCCCCC[C@H](CO)O[N+](=O)[O-] 687806898 571900345 /nfs/dbraw/zinc/90/03/45/571900345.db2.gz HMZLSMPPEPCWPU-MRVPVSSYSA-N 0 0 191.227 1.526 10 0 ADAERN c1ccc2c(c1)[nH]n1cnnc21 39134092 571900348 /nfs/dbraw/zinc/90/03/48/571900348.db2.gz OGLRQZCCNOCSFQ-UHFFFAOYSA-N 0 0 158.164 1.211 10 0 ADAERN Cc1nc2nc(C)c(C)nc2[nH]1 39132961 571900351 /nfs/dbraw/zinc/90/03/51/571900351.db2.gz NLZDZRZVLVEXAS-UHFFFAOYSA-N 0 0 162.196 1.278 10 0 ADAERN C[C@H]1CCC[C@H](COC(=O)CN)C1 300765620 571900354 /nfs/dbraw/zinc/90/03/54/571900354.db2.gz OQEAWBFWLBVICT-IUCAKERBSA-N 0 0 185.267 1.315 10 0 ADAERN COC[C@@H](O)c1ccc(C)cc1OC 234703215 571900357 /nfs/dbraw/zinc/90/03/57/571900357.db2.gz IXGUXJRAMIBPPU-SNVBAGLBSA-N 0 0 196.246 1.683 10 0 ADAERN O=C1CCC(Cc2c[nH]cn2)CC1 39133273 571900358 /nfs/dbraw/zinc/90/03/58/571900358.db2.gz XWBGAOZDVANAMJ-UHFFFAOYSA-N 0 0 178.235 1.712 10 0 ADAERN OCc1cn(CCC2CCCC2)cn1 300763544 571900406 /nfs/dbraw/zinc/90/04/06/571900406.db2.gz OGZNJICOAJZKLK-UHFFFAOYSA-N 0 0 194.278 1.956 10 0 ADAERN CC1=CC=C(C(C)C)[C@@H](O)[C@H]1O 39104277 571900420 /nfs/dbraw/zinc/90/04/20/571900420.db2.gz VPFUINRWASCQAW-VHSXEESVSA-N 0 0 168.236 1.251 10 0 ADAERN CC[C@@](C)(O)[C@@H](O)C1=CCCCO1 233959400 571900484 /nfs/dbraw/zinc/90/04/84/571900484.db2.gz BUGFJBJADKCJNJ-VHSXEESVSA-N 0 0 186.251 1.203 10 0 ADAERN C/C=C1/C(=C(C)C)C(=O)N[C@@H]1C 39104044 571900501 /nfs/dbraw/zinc/90/05/01/571900501.db2.gz NCPPCWFIAFZZQB-KBUNYLKBSA-N 0 0 165.236 1.787 10 0 ADAERN CC1=NNC[C@H]1c1ccco1 39133982 571900526 /nfs/dbraw/zinc/90/05/26/571900526.db2.gz ULNDYFNRFJVGEB-SSDOTTSWSA-N 0 0 150.181 1.342 10 0 ADAERN CC(C)[C@H](O)c1cncs1 39134748 571900530 /nfs/dbraw/zinc/90/05/30/571900530.db2.gz NOWKAMZNATWQAG-ZETCQYMHSA-N 0 0 157.238 1.833 10 0 ADAERN c1nc(CC2CCOCC2)c[nH]1 39132891 571900533 /nfs/dbraw/zinc/90/05/33/571900533.db2.gz QCLCXELMWYSOES-UHFFFAOYSA-N 0 0 166.224 1.379 10 0 ADAERN CNOCc1csc(C)n1 39134639 571900543 /nfs/dbraw/zinc/90/05/43/571900543.db2.gz YGCKLJLUOLJFGB-UHFFFAOYSA-N 0 0 158.226 1.103 10 0 ADAERN Cc1cc(CO)cc2c1OCCO2 39135168 571900557 /nfs/dbraw/zinc/90/05/57/571900557.db2.gz RJNNGGOFFLDSOH-UHFFFAOYSA-N 0 0 180.203 1.259 10 0 ADAERN Cc1c2c(nn1C)CCCC2 39133873 571901027 /nfs/dbraw/zinc/90/10/27/571901027.db2.gz NHTFHOKKWNDJCK-UHFFFAOYSA-N 0 0 150.225 1.607 10 0 ADAERN CC/C=C/C(=O)N[C@H](C)CSC 393337326 571900601 /nfs/dbraw/zinc/90/06/01/571900601.db2.gz KZTWQBOMDAXLOD-HQZHTGGTSA-N 0 0 187.308 1.820 10 0 ADAERN CC[C@@](C)(O)C(=O)[C@H](C)CCOC 233959575 571900633 /nfs/dbraw/zinc/90/06/33/571900633.db2.gz BERJQDJSAAALAH-PSASIEDQSA-N 0 0 188.267 1.389 10 0 ADAERN CSc1n[nH]c2c1CCC2 39133966 571900639 /nfs/dbraw/zinc/90/06/39/571900639.db2.gz QNYWBYUJLNDBJD-UHFFFAOYSA-N 0 0 154.238 1.620 10 0 ADAERN CC(C)c1sc(=O)[nH]c1N 39135446 571900650 /nfs/dbraw/zinc/90/06/50/571900650.db2.gz MHCRCIZMFJGGTQ-BYPYZUCNSA-N 0 0 158.226 1.445 10 0 ADAERN CCc1nc[nH]c1Br 39133148 571900656 /nfs/dbraw/zinc/90/06/56/571900656.db2.gz HZFDCSMOFCSNTO-UHFFFAOYSA-N 0 0 175.029 1.735 10 0 ADAERN CCNc1cc[n+]([O-])c2ccccc12 687727937 571900666 /nfs/dbraw/zinc/90/06/66/571900666.db2.gz PFPBIXAACGZDFY-UHFFFAOYSA-N 0 0 188.230 1.905 10 0 ADAERN CCCC(=O)c1n[nH]cc1C 39134090 571900690 /nfs/dbraw/zinc/90/06/90/571900690.db2.gz OMHYZRFDIRKBDY-UHFFFAOYSA-N 0 0 152.197 1.701 10 0 ADAERN C[C@@H]1CCCc2c(N)n[nH]c21 39133736 571900717 /nfs/dbraw/zinc/90/07/17/571900717.db2.gz SXTZUZMJVXAFKO-RXMQYKEDSA-N 0 0 151.213 1.432 10 0 ADAERN Oc1ccc(-c2c[nH]cn2)c(O)c1 39133009 571900747 /nfs/dbraw/zinc/90/07/47/571900747.db2.gz GQEUKEZMLOLHNS-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN c1ccc2nc3nocc3nc2c1 39134314 571900762 /nfs/dbraw/zinc/90/07/62/571900762.db2.gz FJLSCBREKAJHIX-UHFFFAOYSA-N 0 0 171.159 1.771 10 0 ADAERN CCNc1c(C)ccc[n+]1[O-] 687728742 571902907 /nfs/dbraw/zinc/90/29/07/571902907.db2.gz AVYIDBPSNDKYFS-UHFFFAOYSA-N 0 0 152.197 1.060 10 0 ADAERN CNc1cc[n+]([O-])cc1C(C)C 687727950 571900768 /nfs/dbraw/zinc/90/07/68/571900768.db2.gz YKWRLZQSCYSJRV-UHFFFAOYSA-N 0 0 166.224 1.485 10 0 ADAERN CCc1ncc(C(C)=O)n1C 39069815 571900774 /nfs/dbraw/zinc/90/07/74/571900774.db2.gz ABFSMJLHDSBEAI-UHFFFAOYSA-N 0 0 152.197 1.185 10 0 ADAERN C=CCC[C@H]1C(=O)N[C@@H]1C(C)C 39104202 571900792 /nfs/dbraw/zinc/90/07/92/571900792.db2.gz XDTYDOXADLGAQY-RKDXNWHRSA-N 0 0 167.252 1.723 10 0 ADAERN Cc1ccc2no[n+]([O-])c2c1C 39133634 571900797 /nfs/dbraw/zinc/90/07/97/571900797.db2.gz APJBIWQXPKXRNQ-UHFFFAOYSA-N 0 0 164.164 1.078 10 0 ADAERN CC(C)c1sc(=O)[nH]c1N 39135445 571900845 /nfs/dbraw/zinc/90/08/45/571900845.db2.gz MHCRCIZMFJGGTQ-SCSAIBSYSA-N 0 0 158.226 1.445 10 0 ADAERN CC[C@@H](C)C[C@@H](C[NH3+])C(=O)[O-] 39135354 571900873 /nfs/dbraw/zinc/90/08/73/571900873.db2.gz ZPNHCTKBIJFTRN-RQJHMYQMSA-N 0 0 159.229 1.082 10 0 ADAERN CCn1nc(C)c(N)c1Cl 39133811 571900877 /nfs/dbraw/zinc/90/08/77/571900877.db2.gz XARUUOAYZFRDNF-UHFFFAOYSA-N 0 0 159.620 1.447 10 0 ADAERN Cc1ccc(C2=NNCC2)o1 39133980 571900934 /nfs/dbraw/zinc/90/09/34/571900934.db2.gz ALXPVIDNJAFKCX-UHFFFAOYSA-N 0 0 150.181 1.285 10 0 ADAERN c1ccc2nc3c(nc2c1)CCN3 39134560 571900897 /nfs/dbraw/zinc/90/08/97/571900897.db2.gz KSUPFHHAEMZHSD-UHFFFAOYSA-N 0 0 171.203 1.598 10 0 ADAERN Cc1cc(CCCCCO)on1 39113334 571900904 /nfs/dbraw/zinc/90/09/04/571900904.db2.gz FUEDPIMJTYSWKU-UHFFFAOYSA-N 0 0 169.224 1.688 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1ccc([O-])c(Cl)c1 39134961 571900919 /nfs/dbraw/zinc/90/09/19/571900919.db2.gz DRQJRAGUCHRIMZ-RXMQYKEDSA-N 0 0 199.637 1.576 10 0 ADAERN CCCCCC[C@@H](CO)O[N+](=O)[O-] 687806899 571900929 /nfs/dbraw/zinc/90/09/29/571900929.db2.gz HMZLSMPPEPCWPU-QMMMGPOBSA-N 0 0 191.227 1.526 10 0 ADAERN c1csc(-c2cocn2)n1 39134842 571900965 /nfs/dbraw/zinc/90/09/65/571900965.db2.gz MYVHQZYEGUNPRN-UHFFFAOYSA-N 0 0 152.178 1.798 10 0 ADAERN CC(C)[C@@H]1COC(C(C)(C)O)=N1 39104502 571901000 /nfs/dbraw/zinc/90/10/00/571901000.db2.gz MSUGQGACPOZSJS-ZETCQYMHSA-N 0 0 171.240 1.211 10 0 ADAERN COC[C@H](O)CS[C@@H](C)C(C)C 234705812 571901013 /nfs/dbraw/zinc/90/10/13/571901013.db2.gz AIXKWVSTMUCNRB-IUCAKERBSA-N 0 0 192.324 1.771 10 0 ADAERN C/C=C1/C(=C(C)C)C(=O)N[C@H]1C 39104043 571901021 /nfs/dbraw/zinc/90/10/21/571901021.db2.gz NCPPCWFIAFZZQB-QAZRXNLGSA-N 0 0 165.236 1.787 10 0 ADAERN C=CC(=O)Nc1cscn1 39134884 571901059 /nfs/dbraw/zinc/90/10/59/571901059.db2.gz FQKBZJQTSZTSNG-UHFFFAOYSA-N 0 0 154.194 1.268 10 0 ADAERN Cc1cc(N)cc(N)c1Cl 39135260 571901062 /nfs/dbraw/zinc/90/10/62/571901062.db2.gz POLZUHOGAGOUDM-UHFFFAOYSA-N 0 0 156.616 1.813 10 0 ADAERN C[C@@H](CC1CC1)n1cnc(CO)c1 300765530 571901069 /nfs/dbraw/zinc/90/10/69/571901069.db2.gz XYXPXKDGYOZTIA-QMMMGPOBSA-N 0 0 180.251 1.737 10 0 ADAERN CC[C@H](C(=O)OC)[C@H](C)F 220900677 571901070 /nfs/dbraw/zinc/90/10/70/571901070.db2.gz ZPKNSGNCAQZOGP-WDSKDSINSA-N 0 0 148.177 1.544 10 0 ADAERN Cc1csc(N(O)C=N)n1 39134666 571901088 /nfs/dbraw/zinc/90/10/88/571901088.db2.gz AGBWQQMQOAGCHD-UHFFFAOYSA-N 0 0 157.198 1.254 10 0 ADAERN CC[C@@](C)(O)[C@@H](O)C1CCC1 233959437 571901098 /nfs/dbraw/zinc/90/10/98/571901098.db2.gz BCRSWHLUAGMCRZ-DTWKUNHWSA-N 0 0 158.241 1.308 10 0 ADAERN COC[C@H](O)CSCCC(C)C 234705694 571901111 /nfs/dbraw/zinc/90/11/11/571901111.db2.gz FKAAFHDYPMQKRX-VIFPVBQESA-N 0 0 192.324 1.773 10 0 ADAERN C[C@H](CCC(=O)[O-])[N@H+]1C[C@H]2CC[C@H]2C1 711118655 571901118 /nfs/dbraw/zinc/90/11/18/571901118.db2.gz JWVRHMOPAWVKJT-BBBLOLIVSA-N 0 0 197.278 1.582 10 0 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C1=CC2=C3N=CC=C3O[C@@H]2C=C1 39136454 571902427 /nfs/dbraw/zinc/90/24/27/571902427.db2.gz GUEKDUMSZRRSJW-MRVPVSSYSA-N 0 0 157.172 1.734 10 0 ADAERN O=C1CCn2c(=O)oc3cccc1c32 39136269 571902430 /nfs/dbraw/zinc/90/24/30/571902430.db2.gz OCZBNZPRAZVLEH-UHFFFAOYSA-N 0 0 189.170 1.181 10 0 ADAERN CCOc1nnc(C)s1 39140592 571902450 /nfs/dbraw/zinc/90/24/50/571902450.db2.gz KZMTXSMQAHOEHY-UHFFFAOYSA-N 0 0 144.199 1.245 10 0 ADAERN Cc1cocc1CO 39147334 571902473 /nfs/dbraw/zinc/90/24/73/571902473.db2.gz CBTWDJVVWKFKBU-UHFFFAOYSA-N 0 0 112.128 1.080 10 0 ADAERN CC(=O)[C@@H]1CCC[C@]1(C)O 39147426 571902477 /nfs/dbraw/zinc/90/24/77/571902477.db2.gz DICBAHOWDWJYSQ-YUMQZZPRSA-N 0 0 142.198 1.127 10 0 ADAERN CCOC(=O)N1N=CC=CC=C1C 39138853 571902480 /nfs/dbraw/zinc/90/24/80/571902480.db2.gz HGZHEPBYOFQZDM-UHFFFAOYSA-N 0 0 180.207 1.904 10 0 ADAERN CCc1c[nH]n2nc(C(C)C)nc12 39147936 571902490 /nfs/dbraw/zinc/90/24/90/571902490.db2.gz ADSOZNCMFVTRRS-UHFFFAOYSA-N 0 0 178.239 1.743 10 0 ADAERN Cc1cnc2c(c1)OCCN2 39136714 571902523 /nfs/dbraw/zinc/90/25/23/571902523.db2.gz NGDFWILXKSHBAJ-UHFFFAOYSA-N 0 0 150.181 1.194 10 0 ADAERN Nc1cc[n+]([O-])c2cc(Cl)ccc12 687728076 571902575 /nfs/dbraw/zinc/90/25/75/571902575.db2.gz KKKBRANFZMZFIK-UHFFFAOYSA-N 0 0 194.621 1.709 10 0 ADAERN C[C@H]1CCc2c(c[nH]c(=S)[n+]2O)C1 687728353 571902580 /nfs/dbraw/zinc/90/25/80/571902580.db2.gz IOFXPVSPPMAGJM-LURJTMIESA-N 0 0 196.275 1.129 10 0 ADAERN COc1cccc2c1C[C@@H]2CCO 39147931 571902597 /nfs/dbraw/zinc/90/25/97/571902597.db2.gz OAVUDAYURUKBIS-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN CC(C)C(=O)Nc1cccc(N)n1 39138962 571902601 /nfs/dbraw/zinc/90/26/01/571902601.db2.gz ZBOUYSYPXBEUPI-UHFFFAOYSA-N 0 0 179.223 1.258 10 0 ADAERN C[C@H](CC1CC1)[NH2+][C@H]1CC[C@@H]1C(=O)[O-] 235440283 571903519 /nfs/dbraw/zinc/90/35/19/571903519.db2.gz GRXRYAVSOZBXOM-JEZHCXPESA-N 0 0 197.278 1.628 10 0 ADAERN C[C@]1(O)NC(=O)OC12CCCCC2 39148107 571902626 /nfs/dbraw/zinc/90/26/26/571902626.db2.gz UUWJKAJIXISBRZ-MRVPVSSYSA-N 0 0 185.223 1.138 10 0 ADAERN Nc1c[nH]c(-c2ccsc2)n1 39136848 571902666 /nfs/dbraw/zinc/90/26/66/571902666.db2.gz MRMHDNDQMLZVLL-UHFFFAOYSA-N 0 0 165.221 1.720 10 0 ADAERN CCc1cccc(O[C@@H](C)C(N)=O)c1 33432850 571902701 /nfs/dbraw/zinc/90/27/01/571902701.db2.gz AYHNSDTXPPJBSU-QMMMGPOBSA-N 0 0 193.246 1.502 10 0 ADAERN CC1=N[C@H](C2CCCCC2)C(=O)O1 39139955 571902741 /nfs/dbraw/zinc/90/27/41/571902741.db2.gz MSEORHZAIHXKLG-SECBINFHSA-N 0 0 181.235 1.911 10 0 ADAERN Cc1nnc(C(C)C)s1 39140487 571902749 /nfs/dbraw/zinc/90/27/49/571902749.db2.gz BGILUEADVXKVNM-UHFFFAOYSA-N 0 0 142.227 1.970 10 0 ADAERN CCO[C@H](O)c1sc(N)nc1C 8737761 571902759 /nfs/dbraw/zinc/90/27/59/571902759.db2.gz MXFQBDBBASRPQY-LURJTMIESA-N 0 0 188.252 1.061 10 0 ADAERN Cc1cccc(ON)c1 39248654 571914232 /nfs/dbraw/zinc/91/42/32/571914232.db2.gz MZEPWMKRQQBOLQ-UHFFFAOYSA-N 0 0 123.155 1.248 10 0 ADAERN CCO[C@@H](O)c1sc(N)nc1C 8737762 571902819 /nfs/dbraw/zinc/90/28/19/571902819.db2.gz MXFQBDBBASRPQY-ZCFIWIBFSA-N 0 0 188.252 1.061 10 0 ADAERN C/C=C\CN(C)CC(=O)OCC 219654352 571902834 /nfs/dbraw/zinc/90/28/34/571902834.db2.gz WGYIAKWJCVMBFH-XQRVVYSFSA-N 0 0 171.240 1.057 10 0 ADAERN CC(C)CNc1cccc[n+]1[O-] 687728756 571902840 /nfs/dbraw/zinc/90/28/40/571902840.db2.gz IBLXGIAHRLSTMA-UHFFFAOYSA-N 0 0 166.224 1.388 10 0 ADAERN NOCc1cc2ccccc2o1 39136439 571902850 /nfs/dbraw/zinc/90/28/50/571902850.db2.gz CPMXCGSFDRVZKL-UHFFFAOYSA-N 0 0 163.176 1.823 10 0 ADAERN C[C@@H]1Cc2cc(N)c(N)cc2N1 39136929 571902871 /nfs/dbraw/zinc/90/28/71/571902871.db2.gz RGMZMEAFEFQCLV-RXMQYKEDSA-N 0 0 163.224 1.208 10 0 ADAERN Cn1c2c(c(=S)[nH]c1=O)CCCC2 8737596 571902897 /nfs/dbraw/zinc/90/28/97/571902897.db2.gz OOSKTQZACBQOOF-UHFFFAOYSA-N 0 0 196.275 1.734 10 0 ADAERN C[C@@](O)(CCC1CC1)[C@@H]1CCOC1 235426962 571903536 /nfs/dbraw/zinc/90/35/36/571903536.db2.gz REQXKJQRDQCGMY-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CC1=N[C@](C)(CC(C)C)C(=O)O1 39140097 571902930 /nfs/dbraw/zinc/90/29/30/571902930.db2.gz XTVPIXFNPMOHGY-SECBINFHSA-N 0 0 169.224 1.766 10 0 ADAERN O=C([O-])c1cccc([N+](=O)[N-]F)c1 687728693 571902931 /nfs/dbraw/zinc/90/29/31/571902931.db2.gz CEGYXIULHLLYSC-UHFFFAOYSA-O 0 0 185.134 1.184 10 0 ADAERN C[C@H]1NC(Cc2cccs2)=NO1 39148013 571902936 /nfs/dbraw/zinc/90/29/36/571902936.db2.gz BNTBKTMHSVMDDW-LURJTMIESA-N 0 0 182.248 1.570 10 0 ADAERN O[C@@H](CCCC1CCC1)c1nc[nH]n1 711148421 571902952 /nfs/dbraw/zinc/90/29/52/571902952.db2.gz GUJTXCZPHXEWJT-VIFPVBQESA-N 0 0 195.266 1.809 10 0 ADAERN CC[C@@H]1CCCCN(CCO)C1=O 39148113 571902957 /nfs/dbraw/zinc/90/29/57/571902957.db2.gz HEDWIPAWISKZAA-SECBINFHSA-N 0 0 185.267 1.017 10 0 ADAERN CNc1cc[n+]([O-])c2ccccc12 687728707 571902998 /nfs/dbraw/zinc/90/29/98/571902998.db2.gz WYKJHBHZDCUSQS-UHFFFAOYSA-N 0 0 174.203 1.515 10 0 ADAERN C[C@H]1C(=O)[C@H]2CC[C@@H]1C2 39139527 571903005 /nfs/dbraw/zinc/90/30/05/571903005.db2.gz AOLWVFLQJQUFMW-QYNIQEEDSA-N 0 0 124.183 1.622 10 0 ADAERN CC=C1CCN(C(C)=O)CC1 39069988 571903015 /nfs/dbraw/zinc/90/30/15/571903015.db2.gz KVNHCYFYAOTERL-UHFFFAOYSA-N 0 0 153.225 1.575 10 0 ADAERN C1=CC2=C3N=CC=C3O[C@H]2C=C1 39136455 571903025 /nfs/dbraw/zinc/90/30/25/571903025.db2.gz GUEKDUMSZRRSJW-QMMMGPOBSA-N 0 0 157.172 1.734 10 0 ADAERN COc1ccc(C)c(C)n1 8698102 571903035 /nfs/dbraw/zinc/90/30/35/571903035.db2.gz RXVIXYHMKNJSOH-UHFFFAOYSA-N 0 0 137.182 1.707 10 0 ADAERN CC(C)OC1N=NC(=O)S1 39140490 571903042 /nfs/dbraw/zinc/90/30/42/571903042.db2.gz RHQNTKIJEWDLOI-UHFFFAOYSA-N 0 0 160.198 1.031 10 0 ADAERN C=C/C(C)=C\N1CCOCC1 39136725 571903046 /nfs/dbraw/zinc/90/30/46/571903046.db2.gz WEIOEOZEFXKYOA-HJWRWDBZSA-N 0 0 153.225 1.408 10 0 ADAERN COC[C@@H](c1ccccc1)[C@@H](C)O 234716226 571903048 /nfs/dbraw/zinc/90/30/48/571903048.db2.gz BXWFCCRWMQYMRQ-MWLCHTKSSA-N 0 0 180.247 1.797 10 0 ADAERN CCn1cc(-c2cc(=O)cc[nH]2)cn1 234262776 571903050 /nfs/dbraw/zinc/90/30/50/571903050.db2.gz HANGBCROAZDMNO-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN OCCSC1(C2CC2)CC1 39147564 571903078 /nfs/dbraw/zinc/90/30/78/571903078.db2.gz LFVCCKMPSNFXTJ-UHFFFAOYSA-N 0 0 158.266 1.655 10 0 ADAERN CC(=O)Nc1ccc2occc2n1 39147882 571903542 /nfs/dbraw/zinc/90/35/42/571903542.db2.gz MKXUXNSFPICYCK-UHFFFAOYSA-N 0 0 176.175 1.786 10 0 ADAERN CCCc1ncncc1C[NH2+]C1CC1 300764435 571903119 /nfs/dbraw/zinc/90/31/19/571903119.db2.gz XRIFEWMIZDNZLQ-UHFFFAOYSA-N 0 0 191.278 1.681 10 0 ADAERN Nc1cc[n+]([O-])c2ccc(Cl)cc12 687728064 571903121 /nfs/dbraw/zinc/90/31/21/571903121.db2.gz DQAKLQKCTJBSSO-UHFFFAOYSA-N 0 0 194.621 1.709 10 0 ADAERN CCOC[C@@H](O)[C@@H](C)CSC 300766561 571903129 /nfs/dbraw/zinc/90/31/29/571903129.db2.gz OSVDIVOSGOFIOW-JGVFFNPUSA-N 0 0 178.297 1.383 10 0 ADAERN OCc1ccc2[nH]c(=S)[nH]c2c1 39147956 571903545 /nfs/dbraw/zinc/90/35/45/571903545.db2.gz YQRLUAKDAJJAHH-UHFFFAOYSA-N 0 0 180.232 1.718 10 0 ADAERN CNC(=O)[C@]1(C)C=CCCC1 39140715 571903132 /nfs/dbraw/zinc/90/31/32/571903132.db2.gz FYNMIRSJCQXWEQ-SECBINFHSA-N 0 0 153.225 1.479 10 0 ADAERN CCCOC1N=NC(=O)S1 39140491 571903262 /nfs/dbraw/zinc/90/32/62/571903262.db2.gz PUNAHNMOIHUWDK-UHFFFAOYSA-N 0 0 160.198 1.033 10 0 ADAERN CCc1nc(CSC)ncc1C[NH3+] 300766152 571903273 /nfs/dbraw/zinc/90/32/73/571903273.db2.gz YFNMNUJNGLYVSZ-UHFFFAOYSA-N 0 0 197.307 1.361 10 0 ADAERN CCC(=O)Nc1cc(N)ccc1O 39139160 571903312 /nfs/dbraw/zinc/90/33/12/571903312.db2.gz WSYCHWCNRWWVKN-UHFFFAOYSA-N 0 0 180.207 1.323 10 0 ADAERN COC[C@@H](O)CCCCCCCO 234706846 571903329 /nfs/dbraw/zinc/90/33/29/571903329.db2.gz FCXACIMMHFHYAI-JTQLQIEISA-N 0 0 190.283 1.327 10 0 ADAERN COC[C@H](C)CNc1cc(C)cnn1 234712159 571903343 /nfs/dbraw/zinc/90/33/43/571903343.db2.gz IPOPZLFTDRSTOI-SECBINFHSA-N 0 0 195.266 1.479 10 0 ADAERN Cc1cnc([C@@H](N)C(F)(F)F)nc1 686226601 571903376 /nfs/dbraw/zinc/90/33/76/571903376.db2.gz CZUSVVXLEDYYQT-RXMQYKEDSA-N 0 0 191.156 1.347 10 0 ADAERN CNC(=O)[C@@]1(C)C=CCCC1 39140716 571903409 /nfs/dbraw/zinc/90/34/09/571903409.db2.gz FYNMIRSJCQXWEQ-VIFPVBQESA-N 0 0 153.225 1.479 10 0 ADAERN CC(=O)Oc1cnc2ccoc2c1 39147899 571903412 /nfs/dbraw/zinc/90/34/12/571903412.db2.gz NQEQFCZTYXJDFF-UHFFFAOYSA-N 0 0 177.159 1.753 10 0 ADAERN CSc1c[nH]c(C)n1 39147379 571903416 /nfs/dbraw/zinc/90/34/16/571903416.db2.gz ZPANMEUYYBHHEC-UHFFFAOYSA-N 0 0 128.200 1.440 10 0 ADAERN Cc1cc(O)cc2c1CCC(=O)O2 39147925 571903420 /nfs/dbraw/zinc/90/34/20/571903420.db2.gz VGNURTXRJACKOL-UHFFFAOYSA-N 0 0 178.187 1.552 10 0 ADAERN c1coc(-c2nncs2)c1 39140410 571903433 /nfs/dbraw/zinc/90/34/33/571903433.db2.gz YZMQJYOJJJHESW-UHFFFAOYSA-N 0 0 152.178 1.798 10 0 ADAERN COCCCCC1(O)CC(C)C1 686321456 571903454 /nfs/dbraw/zinc/90/34/54/571903454.db2.gz LHPXTRNJMYIPOQ-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN COC(=O)[C@@]1(C)CCCC[C@@H]1O 39147809 571903463 /nfs/dbraw/zinc/90/34/63/571903463.db2.gz BDKLKQIGAXNPME-CBAPKCEASA-N 0 0 172.224 1.101 10 0 ADAERN C[C@@H]1NC(Cc2cccs2)=NO1 39148012 571903650 /nfs/dbraw/zinc/90/36/50/571903650.db2.gz BNTBKTMHSVMDDW-ZCFIWIBFSA-N 0 0 182.248 1.570 10 0 ADAERN O=c1[nH]ccc2c1oc1ccncc12 39148121 571903665 /nfs/dbraw/zinc/90/36/65/571903665.db2.gz SEQWPTQJQBAODP-UHFFFAOYSA-N 0 0 186.170 1.669 10 0 ADAERN COC[C@H](NN)c1ccc(Cl)o1 234710945 571903677 /nfs/dbraw/zinc/90/36/77/571903677.db2.gz OFBLKSVWMCUEQK-YFKPBYRVSA-N 0 0 190.630 1.084 10 0 ADAERN C[C@]12C(=O)N[C@H]1C=Cc1ccccc12 39148108 571903714 /nfs/dbraw/zinc/90/37/14/571903714.db2.gz IUJYYCXMXXOYTL-CMPLNLGQSA-N 0 0 185.226 1.470 10 0 ADAERN Nc1ncnc2c1Cc1ccccc1-2 39148054 571903720 /nfs/dbraw/zinc/90/37/20/571903720.db2.gz NWLIUIQYMMGJSG-UHFFFAOYSA-N 0 0 183.214 1.630 10 0 ADAERN CC[NH2+]Cc1ccnc(NC2CC2)n1 300764453 571903746 /nfs/dbraw/zinc/90/37/46/571903746.db2.gz XSGYLOALPFMFGF-UHFFFAOYSA-N 0 0 192.266 1.160 10 0 ADAERN C[C@@H]1CCc2c(c[nH]c(=S)[n+]2O)C1 687728354 571903766 /nfs/dbraw/zinc/90/37/66/571903766.db2.gz IOFXPVSPPMAGJM-ZCFIWIBFSA-N 0 0 196.275 1.129 10 0 ADAERN CC1=N[C@@](C)(CC(C)C)C(=O)O1 39140095 571903788 /nfs/dbraw/zinc/90/37/88/571903788.db2.gz XTVPIXFNPMOHGY-VIFPVBQESA-N 0 0 169.224 1.766 10 0 ADAERN Nc1ccccc1Nc1c[nH]nn1 39147869 571903811 /nfs/dbraw/zinc/90/38/11/571903811.db2.gz SEBLCUIBBJMISQ-UHFFFAOYSA-N 0 0 175.195 1.131 10 0 ADAERN O[C@@H]1C=Cc2ccccc2C1 39147457 571903870 /nfs/dbraw/zinc/90/38/70/571903870.db2.gz KBILEKAHWIGRSO-SNVBAGLBSA-N 0 0 146.189 1.617 10 0 ADAERN O=C(NO)Oc1ccc(Cl)cc1 39148190 571903874 /nfs/dbraw/zinc/90/38/74/571903874.db2.gz VEXZUMHBFWYPFY-UHFFFAOYSA-N 0 0 187.582 1.818 10 0 ADAERN O=Cc1cc2ccc(O)cc2o1 39136438 571903887 /nfs/dbraw/zinc/90/38/87/571903887.db2.gz SQVDUQDBKOAAFY-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN CC(C)C(=O)N1C(=O)CC[C@H]1F 39139024 571903889 /nfs/dbraw/zinc/90/38/89/571903889.db2.gz KQUHGOUSVAPNRH-LURJTMIESA-N 0 0 173.187 1.087 10 0 ADAERN C=CC1=CCCC[C@@H]1O 39147362 571903902 /nfs/dbraw/zinc/90/39/02/571903902.db2.gz WLHJMVKTZOTZEZ-QMMMGPOBSA-N 0 0 124.183 1.644 10 0 ADAERN OCCO[C@H]1CCC=C2CCC[C@H]21 39148024 571903916 /nfs/dbraw/zinc/90/39/16/571903916.db2.gz LGFKNZKZQIZLRW-MNOVXSKESA-N 0 0 182.263 1.884 10 0 ADAERN C=CC1=CCCC[C@H]1O 39147363 571903921 /nfs/dbraw/zinc/90/39/21/571903921.db2.gz WLHJMVKTZOTZEZ-MRVPVSSYSA-N 0 0 124.183 1.644 10 0 ADAERN C[C@H](CC1CC1)[NH2+]C/C=C/C(=O)[O-] 235428049 571903922 /nfs/dbraw/zinc/90/39/22/571903922.db2.gz IYVYFJBIOVXMSX-UFUPEUMYSA-N 0 0 183.251 1.405 10 0 ADAERN CCOC[C@@H](C)n1cnc(C[NH2+]C)c1 300764409 571903962 /nfs/dbraw/zinc/90/39/62/571903962.db2.gz XQCGDZVIXGGFFB-SECBINFHSA-N 0 0 197.282 1.200 10 0 ADAERN Nc1ccc2c(c1O)C(=O)CC2 39135946 571903949 /nfs/dbraw/zinc/90/39/49/571903949.db2.gz IYWVIJUQAPIJMC-UHFFFAOYSA-N 0 0 163.176 1.103 10 0 ADAERN FC(F)CNCc1cnoc1 686226402 571904028 /nfs/dbraw/zinc/90/40/28/571904028.db2.gz GGBKXXCPOMFYJP-UHFFFAOYSA-N 0 0 162.139 1.029 10 0 ADAERN COC[C@H](O)c1ccc(C)cc1OC 234711199 571904060 /nfs/dbraw/zinc/90/40/60/571904060.db2.gz IXGUXJRAMIBPPU-JTQLQIEISA-N 0 0 196.246 1.683 10 0 ADAERN COC[C@H](O)CCc1cncc(F)c1 234710294 571905177 /nfs/dbraw/zinc/90/51/77/571905177.db2.gz OMTKHPQZZKSGHD-SNVBAGLBSA-N 0 0 199.225 1.161 10 0 ADAERN C[C@@](O)(CCC1CC1)[C@H]1CCOC1 235427019 571904155 /nfs/dbraw/zinc/90/41/55/571904155.db2.gz REQXKJQRDQCGMY-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN OCCc1cccc2occc12 39136432 571904162 /nfs/dbraw/zinc/90/41/62/571904162.db2.gz KILXUMJYXAQYTR-UHFFFAOYSA-N 0 0 162.188 1.968 10 0 ADAERN Nc1ccc(-c2ccncc2F)nn1 157580241 571904164 /nfs/dbraw/zinc/90/41/64/571904164.db2.gz XHTIHUJOPBITJL-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN CCC(C)(CC)n1cnc(CO)c1 300766165 571904187 /nfs/dbraw/zinc/90/41/87/571904187.db2.gz YFXPJAFURJGZOQ-UHFFFAOYSA-N 0 0 182.267 1.911 10 0 ADAERN CC[C@@H]1C[C@](O)([C@H](C)CC)CO1 711146401 571904193 /nfs/dbraw/zinc/90/41/93/571904193.db2.gz LPWUEVSOCMZAJL-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H]1CC[C@]2(CCCC2=O)C1=O 39147651 571904208 /nfs/dbraw/zinc/90/42/08/571904208.db2.gz QAYKQWONPIVJHB-XCBNKYQSSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@H]1COc2cccnc2N1 39136712 571904239 /nfs/dbraw/zinc/90/42/39/571904239.db2.gz JVGOLPUBJYTGJS-ZCFIWIBFSA-N 0 0 150.181 1.274 10 0 ADAERN Nc1cncc(-c2ccncc2F)n1 157578029 571904330 /nfs/dbraw/zinc/90/43/30/571904330.db2.gz UWIDXNYCDLPBAE-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN CNC(C)=C1C(=O)O[C@H](C)[C@H]1C 687728349 571904355 /nfs/dbraw/zinc/90/43/55/571904355.db2.gz HKVFFJPOXORDQH-URKXLQAUSA-N 0 0 169.224 1.061 10 0 ADAERN O=C1[C@H]2CC[C@H]3C[C@@H]1C[C@H]32 39147394 571904367 /nfs/dbraw/zinc/90/43/67/571904367.db2.gz RLAUOBWGPFGPOW-FKSUSPILSA-N 0 0 136.194 1.622 10 0 ADAERN CNC(C)=C1C(=O)O[C@H](C)[C@@H]1C 687728350 571904371 /nfs/dbraw/zinc/90/43/71/571904371.db2.gz HKVFFJPOXORDQH-XNZDOENWSA-N 0 0 169.224 1.061 10 0 ADAERN CNC(C)=C1C(=O)O[C@H](C)[C@H]1C 687728347 571904381 /nfs/dbraw/zinc/90/43/81/571904381.db2.gz HKVFFJPOXORDQH-HXQFRQHCSA-N 0 0 169.224 1.061 10 0 ADAERN Oc1ccc(F)c2c1OCCC2 39147690 571904383 /nfs/dbraw/zinc/90/43/83/571904383.db2.gz VNDISYZZZLGHNH-UHFFFAOYSA-N 0 0 168.167 1.856 10 0 ADAERN C[C@H]1COc2cccnc2N1 39136713 571904393 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300767878 571904919 /nfs/dbraw/zinc/90/49/19/571904919.db2.gz VMQAYPAAWVQPKP-UHFFFAOYSA-N 0 0 199.294 1.836 10 0 ADAERN CC(C)(O)C1=CCCC[C@H]1O 39184718 571904924 /nfs/dbraw/zinc/90/49/24/571904924.db2.gz SXZXHMBCFUCIBQ-MRVPVSSYSA-N 0 0 156.225 1.229 10 0 ADAERN COC[C@H](NN)C1(C)CCCCC1 234708640 571904933 /nfs/dbraw/zinc/90/49/33/571904933.db2.gz MFSHVGNOEKQREO-VIFPVBQESA-N 0 0 186.299 1.435 10 0 ADAERN C[C@H]1CC(=O)C2(CCCC2)C1=O 39168276 571905247 /nfs/dbraw/zinc/90/52/47/571905247.db2.gz YNFHHLWYRVLSIG-ZETCQYMHSA-N 0 0 166.220 1.725 10 0 ADAERN CNc1c2ccccc2s[n+]1[O-] 687728377 571904979 /nfs/dbraw/zinc/90/49/79/571904979.db2.gz SJCVXHUBIYJMNN-UHFFFAOYSA-N 0 0 180.232 1.576 10 0 ADAERN O=C([O-])CCC[C@@H]1CC[N@@H+]2CCC[C@H]12 300766927 571904987 /nfs/dbraw/zinc/90/49/87/571904987.db2.gz OXEVFQQLLJEAFE-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN COc1cccc(C(C)(C)O)n1 39168294 571904992 /nfs/dbraw/zinc/90/49/92/571904992.db2.gz UCWFQPQKAYPSPQ-UHFFFAOYSA-N 0 0 167.208 1.318 10 0 ADAERN 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571906031 /nfs/dbraw/zinc/90/60/31/571906031.db2.gz WDNFYCZHRQVJCO-UHFFFAOYSA-N 0 0 195.237 1.917 10 0 ADAERN Nc1c(Cl)ccc2c1NCCC2=O 39149040 571906047 /nfs/dbraw/zinc/90/60/47/571906047.db2.gz PUPFDBJBYCNDFP-UHFFFAOYSA-N 0 0 196.637 1.921 10 0 ADAERN CN(c1ncc(F)cc1CO)C1CC1 234266120 571906078 /nfs/dbraw/zinc/90/60/78/571906078.db2.gz SNTAVUUBVQZLRX-UHFFFAOYSA-N 0 0 196.225 1.312 10 0 ADAERN Cc1ccc(N(C)[N+](=O)[O-])cc1N 687728796 571906084 /nfs/dbraw/zinc/90/60/84/571906084.db2.gz YYSYVKZPCLPSAE-UHFFFAOYSA-N 0 0 181.195 1.205 10 0 ADAERN OC[C@H]1CCc2ccc(O)cc2O1 39168538 571906092 /nfs/dbraw/zinc/90/60/92/571906092.db2.gz XCHCBXFWTGGNOZ-SECBINFHSA-N 0 0 180.203 1.078 10 0 ADAERN CCOC[C@](C)(O)C(C)(C)OC 300768676 571906134 /nfs/dbraw/zinc/90/61/34/571906134.db2.gz PNODOMIZKQZJTF-VIFPVBQESA-N 0 0 176.256 1.199 10 0 ADAERN OCCCC[C@@H]1C=CCCO1 39168157 571906141 /nfs/dbraw/zinc/90/61/41/571906141.db2.gz JXDJHNVULUFHHD-SECBINFHSA-N 0 0 156.225 1.494 10 0 ADAERN CCO[P@@](C)(=O)[C@@H](C)O 39184654 571906164 /nfs/dbraw/zinc/90/61/64/571906164.db2.gz BYUAJXJFJJKFIL-SSDLBLMSSA-N 0 0 152.130 1.269 10 0 ADAERN C[C@H](CCO)SCOCC1CC1 235431524 571906189 /nfs/dbraw/zinc/90/61/89/571906189.db2.gz NXYIQPPQJTUSQA-MRVPVSSYSA-N 0 0 190.308 1.875 10 0 ADAERN CC[C@H](OC)c1ncc(CO)c(C)n1 300767463 571906203 /nfs/dbraw/zinc/90/62/03/571906203.db2.gz YQNNHLDUIVUCFM-VIFPVBQESA-N 0 0 196.250 1.375 10 0 ADAERN CC(C)[C@H]1CCCCC(=O)N1CCO 39169081 571906221 /nfs/dbraw/zinc/90/62/21/571906221.db2.gz DPPXGCPRGWKKFA-SNVBAGLBSA-N 0 0 199.294 1.406 10 0 ADAERN CC[C@H]1C[C@@](O)(C2=CCCO2)CO1 711150365 571906230 /nfs/dbraw/zinc/90/62/30/571906230.db2.gz ZVENKBNXWPKLTL-WPRPVWTQSA-N 0 0 184.235 1.221 10 0 ADAERN Cc1scc2c1NC(=O)C2 39168124 571906235 /nfs/dbraw/zinc/90/62/35/571906235.db2.gz NBFMVWDFMAQDFY-UHFFFAOYSA-N 0 0 153.206 1.551 10 0 ADAERN CCO[P@](C)(=O)[C@H](C)O 39184655 571906371 /nfs/dbraw/zinc/90/63/71/571906371.db2.gz BYUAJXJFJJKFIL-ANLVUFKYSA-N 0 0 152.130 1.269 10 0 ADAERN 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170.252 1.763 10 0 ADAERN C[C@H]1CCCCN(CCCO)C1=O 39168685 571906311 /nfs/dbraw/zinc/90/63/11/571906311.db2.gz ZRUGNBLDNWMWTR-VIFPVBQESA-N 0 0 185.267 1.017 10 0 ADAERN C1=NC(c2ccccc2)N=CN1 39168188 571906314 /nfs/dbraw/zinc/90/63/14/571906314.db2.gz HNKGKLYVCXSLBO-UHFFFAOYSA-N 0 0 159.192 1.345 10 0 ADAERN CCCCN1CN2CCC[C@H]2C1=O 39116501 571906326 /nfs/dbraw/zinc/90/63/26/571906326.db2.gz OZFQPRQWLHNZIX-VIFPVBQESA-N 0 0 182.267 1.051 10 0 ADAERN CCC[C@@H](OC)c1ncc(N)c(=O)[nH]1 300768540 571906331 /nfs/dbraw/zinc/90/63/31/571906331.db2.gz YYCICBCHNBOJMF-SSDOTTSWSA-N 0 0 197.238 1.252 10 0 ADAERN C[C@@]12C[C@H]3CC[C@@H]1OC[C@@H]2[C@H]3CO 39168618 571906333 /nfs/dbraw/zinc/90/63/33/571906333.db2.gz IVGLLVGUFXDQED-XXFSISAASA-N 0 0 182.263 1.430 10 0 ADAERN COC(=O)[C@H]1N=C(C)C[C@@H]1C 39115625 571906337 /nfs/dbraw/zinc/90/63/37/571906337.db2.gz RHYKTNWXXYRBLM-FSPLSTOPSA-N 0 0 155.197 1.029 10 0 ADAERN CCO[P@@](C)(=O)[C@H](C)O 39184656 571906343 /nfs/dbraw/zinc/90/63/43/571906343.db2.gz BYUAJXJFJJKFIL-MLUIRONXSA-N 0 0 152.130 1.269 10 0 ADAERN OCCCc1cccc2c1CCCO2 39148370 571906345 /nfs/dbraw/zinc/90/63/45/571906345.db2.gz LBOHBFLJGCHSJG-UHFFFAOYSA-N 0 0 192.258 1.937 10 0 ADAERN CC(=O)NC1([C@@H]2CCC2=O)CCC1 39168579 571906349 /nfs/dbraw/zinc/90/63/49/571906349.db2.gz HWHVWGMVCQHPRL-MRVPVSSYSA-N 0 0 181.235 1.024 10 0 ADAERN C/C=C/[C@@]1(O)CCCCC[C@H]1CO 39185205 571906821 /nfs/dbraw/zinc/90/68/21/571906821.db2.gz BCTIPSFDGNYJPE-QJGQESONSA-N 0 0 184.279 1.866 10 0 ADAERN COc1ccc2c(c1)OC(=O)CCO2 39185510 571907538 /nfs/dbraw/zinc/90/75/38/571907538.db2.gz NKQXJYQQQJFKCY-UHFFFAOYSA-N 0 0 194.186 1.383 10 0 ADAERN C[C@H](O)[C@H]1C[C@H]2C=C[C@@H]1C2 39194119 571907540 /nfs/dbraw/zinc/90/75/40/571907540.db2.gz OVEARCWULHSQDS-RBXMUDONSA-N 0 0 138.210 1.579 10 0 ADAERN C[C@H](O)[C@H](O)CCC1CCCC1 300766893 571906548 /nfs/dbraw/zinc/90/65/48/571906548.db2.gz OWLGDAOFIGNTEE-WCBMZHEXSA-N 0 0 172.268 1.699 10 0 ADAERN c1cc2ccc3cnc(c1)n23 39194516 571906613 /nfs/dbraw/zinc/90/66/13/571906613.db2.gz GZNBIDLJZOBJPI-UHFFFAOYSA-N 0 0 142.161 1.925 10 0 ADAERN COc1cc([C@H]2O[C@@H]2C)ccc1O 39185089 571906669 /nfs/dbraw/zinc/90/66/69/571906669.db2.gz XAPWMPCKNAXACP-LDWIPMOCSA-N 0 0 180.203 1.861 10 0 ADAERN C/C(C(N)=O)=C(/C)c1ccccc1 39188664 571906680 /nfs/dbraw/zinc/90/66/80/571906680.db2.gz AISWUBZYHKYJDR-CMDGGOBGSA-N 0 0 175.231 1.965 10 0 ADAERN CN(/C=C/c1ccccc1)C(N)=O 39189350 571906699 /nfs/dbraw/zinc/90/66/99/571906699.db2.gz ULCQSIJQZCIQNF-BQYQJAHWSA-N 0 0 176.219 1.668 10 0 ADAERN Cc1nc(CN[C@H](C)CC2CC2)no1 235434742 571906704 /nfs/dbraw/zinc/90/67/04/571906704.db2.gz JJKYKBBRGJEYMF-SSDOTTSWSA-N 0 0 195.266 1.656 10 0 ADAERN COC(=O)CC1=CCCC1 39200893 571906721 /nfs/dbraw/zinc/90/67/21/571906721.db2.gz PTVJOSBDUWCCNT-UHFFFAOYSA-N 0 0 140.182 1.660 10 0 ADAERN CC(=O)c1ccccc1N(C)C=O 39193145 571906744 /nfs/dbraw/zinc/90/67/44/571906744.db2.gz GXHAWMSZNTWXKA-UHFFFAOYSA-N 0 0 177.203 1.482 10 0 ADAERN CC(C)(C)NCc1cccc[n+]1[O-] 687728383 571906748 /nfs/dbraw/zinc/90/67/48/571906748.db2.gz XFBAFHBAZPJYFL-UHFFFAOYSA-N 0 0 180.251 1.208 10 0 ADAERN N#CNc1cccc(NC#N)c1 39189079 571906755 /nfs/dbraw/zinc/90/67/55/571906755.db2.gz DZNRWJXFRVXJBG-UHFFFAOYSA-N 0 0 158.164 1.473 10 0 ADAERN CC[C@@H](OC)c1ncc(CO)c(C)n1 300767462 571906757 /nfs/dbraw/zinc/90/67/57/571906757.db2.gz YQNNHLDUIVUCFM-SECBINFHSA-N 0 0 196.250 1.375 10 0 ADAERN CC(=O)Oc1cc(C)ccn1 39192718 571906806 /nfs/dbraw/zinc/90/68/06/571906806.db2.gz YOEHBALNPKEREQ-UHFFFAOYSA-N 0 0 151.165 1.315 10 0 ADAERN O=C1C[C@H]2Cc3cccc(O)c3N12 39116277 571906818 /nfs/dbraw/zinc/90/68/18/571906818.db2.gz IJWSMWRQRXADEP-SSDOTTSWSA-N 0 0 175.187 1.054 10 0 ADAERN Cc1ccc(-c2nncnn2)s1 39201688 571906823 /nfs/dbraw/zinc/90/68/23/571906823.db2.gz YKSXPZBWSDMOLO-UHFFFAOYSA-N 0 0 178.220 1.304 10 0 ADAERN O=C1CSCc2ccoc21 39202318 571906855 /nfs/dbraw/zinc/90/68/55/571906855.db2.gz LUJGFFMJABFWEU-UHFFFAOYSA-N 0 0 154.190 1.709 10 0 ADAERN C[C@@H]1O[C@@H]1[C@H](O)/C=C/c1ccccc1 39185408 571906864 /nfs/dbraw/zinc/90/68/64/571906864.db2.gz ZCFQZBBZOYWJCQ-GOOLLAETSA-N 0 0 190.242 1.848 10 0 ADAERN CCC=CC(=O)Nc1cn[nH]c1 379326581 571906900 /nfs/dbraw/zinc/90/69/00/571906900.db2.gz IRFIRZVDQKFFQR-ARJAWSKDSA-N 0 0 165.196 1.314 10 0 ADAERN O=C1COc2cc3c(cc21)CCCO3 39189095 571906962 /nfs/dbraw/zinc/90/69/62/571906962.db2.gz XAOCKGYTEVRQRQ-UHFFFAOYSA-N 0 0 190.198 1.587 10 0 ADAERN [O-][n+]1ccc(NCC(F)(F)F)cc1 687728364 571906983 /nfs/dbraw/zinc/90/69/83/571906983.db2.gz KNPXDPGVJFSGKS-UHFFFAOYSA-N 0 0 192.140 1.294 10 0 ADAERN O[C@H]1OC[C@@H]2CCCC[C@H]12 39200676 571906985 /nfs/dbraw/zinc/90/69/85/571906985.db2.gz SBIFXVKAYSOREW-FXQIFTODSA-N 0 0 142.198 1.141 10 0 ADAERN Cc1cnc(/C=C\[C@@H](C)O)s1 394704394 571907001 /nfs/dbraw/zinc/90/70/01/571907001.db2.gz JVJNVLIOPYAYIQ-KGJQDRRLSA-N 0 0 169.249 1.846 10 0 ADAERN NC(=O)SCc1ccccc1 39192722 571907030 /nfs/dbraw/zinc/90/70/30/571907030.db2.gz LOFZYSZWOLKUGE-UHFFFAOYSA-N 0 0 167.233 1.999 10 0 ADAERN COC(=O)/C=C1\CCO[C@H](C)C1 379324752 571907036 /nfs/dbraw/zinc/90/70/36/571907036.db2.gz MBVOHLFXRNNPLI-UQBZRGDZSA-N 0 0 170.208 1.285 10 0 ADAERN COc1nc(Cl)nc(N)c1C 39198830 571907067 /nfs/dbraw/zinc/90/70/67/571907067.db2.gz IKICDKVSMZFUQR-UHFFFAOYSA-N 0 0 173.603 1.029 10 0 ADAERN O=C1C[C@H](c2ccccc2)O[C@@H]1CO 39185449 571907071 /nfs/dbraw/zinc/90/70/71/571907071.db2.gz IDIXCIZJWJPEND-GHMZBOCLSA-N 0 0 192.214 1.078 10 0 ADAERN O=C1N[C@@H]2c3ccccc3OC[C@@H]2O1 39202070 571907075 /nfs/dbraw/zinc/90/70/75/571907075.db2.gz BAIYVPCUGFSZKJ-DTWKUNHWSA-N 0 0 191.186 1.229 10 0 ADAERN COc1ccc(C(=O)NC=S)cc1 39191182 571907096 /nfs/dbraw/zinc/90/70/96/571907096.db2.gz PZEHUHGBJWITDE-UHFFFAOYSA-N 0 0 195.243 1.382 10 0 ADAERN CCC[C@H](OC)c1ncc(N)c(=O)[nH]1 300768541 571907123 /nfs/dbraw/zinc/90/71/23/571907123.db2.gz YYCICBCHNBOJMF-ZETCQYMHSA-N 0 0 197.238 1.252 10 0 ADAERN CCCCN1CN2CCC[C@@H]2C1=O 39116499 571907128 /nfs/dbraw/zinc/90/71/28/571907128.db2.gz OZFQPRQWLHNZIX-SECBINFHSA-N 0 0 182.267 1.051 10 0 ADAERN C=COCCCOCCOC 234728758 571907132 /nfs/dbraw/zinc/90/71/32/571907132.db2.gz QEPFOKIYVKQLCK-UHFFFAOYSA-N 0 0 160.213 1.200 10 0 ADAERN COC(=O)/C=C1\CCO[C@@H](C)C1 379324751 571907135 /nfs/dbraw/zinc/90/71/35/571907135.db2.gz MBVOHLFXRNNPLI-DGUDBNDOSA-N 0 0 170.208 1.285 10 0 ADAERN C1=NC[C@@H](c2ccccc2)O1 39191721 571907148 /nfs/dbraw/zinc/90/71/48/571907148.db2.gz YEMVKBHTRGTNJT-VIFPVBQESA-N 0 0 147.177 1.786 10 0 ADAERN Cc1cnnc(NC[C@H](C)CCO)c1 235435467 571907150 /nfs/dbraw/zinc/90/71/50/571907150.db2.gz BSTPMGLTFOSCSH-MRVPVSSYSA-N 0 0 195.266 1.215 10 0 ADAERN O[C@@H]1CSCc2occc21 39202324 571907155 /nfs/dbraw/zinc/90/71/55/571907155.db2.gz VPHXJQVZWYEQIO-ZCFIWIBFSA-N 0 0 156.206 1.560 10 0 ADAERN C/C(=C\Cl)Cn1ccccc1=O 379321828 571907163 /nfs/dbraw/zinc/90/71/63/571907163.db2.gz FTDWVALDMLOPAX-SOFGYWHQSA-N 0 0 183.638 1.991 10 0 ADAERN CCCc1nc(Cl)nc(NC)n1 39189153 571907165 /nfs/dbraw/zinc/90/71/65/571907165.db2.gz GRJZBGMZDLOHRG-UHFFFAOYSA-N 0 0 186.646 1.519 10 0 ADAERN CC(C)OC(=O)CCCCCO 39189567 571907167 /nfs/dbraw/zinc/90/71/67/571907167.db2.gz PREZTQRHPMBEPG-UHFFFAOYSA-N 0 0 174.240 1.491 10 0 ADAERN CC1(C)CCC(C)(C)NC(=O)N1 39202423 571907174 /nfs/dbraw/zinc/90/71/74/571907174.db2.gz XMDJAKRRIYWQFS-UHFFFAOYSA-N 0 0 170.256 1.637 10 0 ADAERN C/C(=C/c1c(Cl)cnn1C)CO 394655608 571907210 /nfs/dbraw/zinc/90/72/10/571907210.db2.gz XGUMFYLVIDDMAP-UTCJRWHESA-N 0 0 186.642 1.469 10 0 ADAERN CCOC(=S)OCC 39199239 571907211 /nfs/dbraw/zinc/90/72/11/571907211.db2.gz HJSMLDVJDUBCLQ-UHFFFAOYSA-N 0 0 134.200 1.344 10 0 ADAERN CCC(O)(CC)CC(C)=O 39189103 571907224 /nfs/dbraw/zinc/90/72/24/571907224.db2.gz FKNJTNJYTBSPTI-UHFFFAOYSA-N 0 0 144.214 1.517 10 0 ADAERN C/C(=C\[C@@H](C)O)c1cnn(C)c1 379324744 571907231 /nfs/dbraw/zinc/90/72/31/571907231.db2.gz LLXDRKVXIZELJY-RXLGXGPVSA-N 0 0 166.224 1.204 10 0 ADAERN Cc1cc(OCC2CC2)cc[n+]1[O-] 39185066 571907254 /nfs/dbraw/zinc/90/72/54/571907254.db2.gz RYSGNEDNKANTCQ-UHFFFAOYSA-N 0 0 179.219 1.417 10 0 ADAERN CO[C@@H]1CCCC/C1=C/[C@H](C)O 379320652 571907279 /nfs/dbraw/zinc/90/72/79/571907279.db2.gz XSNYKHHGWDEAKX-AGGJFOMBSA-N 0 0 170.252 1.883 10 0 ADAERN Cc1nc2cc3nc(C)[nH]c3nc2[nH]1 39188945 571907327 /nfs/dbraw/zinc/90/73/27/571907327.db2.gz FNDMFUDPGOVSNU-UHFFFAOYSA-N 0 0 187.206 1.451 10 0 ADAERN CC[C@H](O)c1ccccc1CO 39192698 571907351 /nfs/dbraw/zinc/90/73/51/571907351.db2.gz YOPCEQFSKFFDFX-JTQLQIEISA-N 0 0 166.220 1.622 10 0 ADAERN CC[C@@H](O)c1ccccc1CO 39192699 571907360 /nfs/dbraw/zinc/90/73/60/571907360.db2.gz YOPCEQFSKFFDFX-SNVBAGLBSA-N 0 0 166.220 1.622 10 0 ADAERN CCc1nc2c(C(C)C)c[nH]n2n1 39185048 571907373 /nfs/dbraw/zinc/90/73/73/571907373.db2.gz LNPWVEWBORVNIQ-UHFFFAOYSA-N 0 0 178.239 1.743 10 0 ADAERN Cc1nnc(CNOCC2CCC2)o1 711181291 571907394 /nfs/dbraw/zinc/90/73/94/571907394.db2.gz NHPRXJFWGZSDNU-UHFFFAOYSA-N 0 0 197.238 1.199 10 0 ADAERN COc1nc2cc(C)ccc2c(=O)[nH]1 39185389 571907399 /nfs/dbraw/zinc/90/73/99/571907399.db2.gz ZRHUIYROWGUUBG-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN COC(=O)C(C)=C(C)C 39191193 571907525 /nfs/dbraw/zinc/90/75/25/571907525.db2.gz SUXFTQHLBSWETF-UHFFFAOYSA-N 0 0 128.171 1.516 10 0 ADAERN O[C@H]1OC[C@@H]2CCCC[C@@H]12 39200674 571907407 /nfs/dbraw/zinc/90/74/07/571907407.db2.gz SBIFXVKAYSOREW-RNJXMRFFSA-N 0 0 142.198 1.141 10 0 ADAERN OC[C@]1(c2ccccc2)CC=CCO1 39185406 571907413 /nfs/dbraw/zinc/90/74/13/571907413.db2.gz CHQGLEAFGBKOIR-LBPRGKRZSA-N 0 0 190.242 1.851 10 0 ADAERN CC1(/C=C2\CC(=O)NC2=O)CCCC1 394693929 571907433 /nfs/dbraw/zinc/90/74/33/571907433.db2.gz QQKXOCNOYLTDPQ-BQYQJAHWSA-N 0 0 193.246 1.540 10 0 ADAERN CC(=O)OCc1ccn2c1C=CC2=O 39185431 571907435 /nfs/dbraw/zinc/90/74/35/571907435.db2.gz BBBJRXAFGAMLAV-UHFFFAOYSA-N 0 0 191.186 1.218 10 0 ADAERN CC(C)(O)c1ccccc1NN 39198894 571907448 /nfs/dbraw/zinc/90/74/48/571907448.db2.gz IHLZZBDKZPHXEQ-UHFFFAOYSA-N 0 0 166.224 1.200 10 0 ADAERN CC(=O)Nc1ccc[nH]c1=S 39190238 571907453 /nfs/dbraw/zinc/90/74/53/571907453.db2.gz LEYJVLORZCHMPG-UHFFFAOYSA-N 0 0 168.221 1.703 10 0 ADAERN c1ccc2c(c1)OC[C@@H]1OCCN[C@H]21 39202084 571907457 /nfs/dbraw/zinc/90/74/57/571907457.db2.gz OBKRGSXABDXYFB-WDEREUQCSA-N 0 0 191.230 1.109 10 0 ADAERN C/C(=C\[C@H](C)O)c1cnn(C)c1 379324743 571907483 /nfs/dbraw/zinc/90/74/83/571907483.db2.gz LLXDRKVXIZELJY-IPWDFOCMSA-N 0 0 166.224 1.204 10 0 ADAERN CCCc1c[nH]n2nc(CC)nc12 39185047 571907552 /nfs/dbraw/zinc/90/75/52/571907552.db2.gz ZDRYHYXRNJPLJJ-UHFFFAOYSA-N 0 0 178.239 1.572 10 0 ADAERN C/C=C\Cn1ccnc(C)c1=O 379323580 571907565 /nfs/dbraw/zinc/90/75/65/571907565.db2.gz RFVWAVMTNWOKQZ-ARJAWSKDSA-N 0 0 164.208 1.128 10 0 ADAERN OCCc1cc(-c2cccs2)no1 39185566 571907571 /nfs/dbraw/zinc/90/75/71/571907571.db2.gz OMUDWXVBZSPFCW-UHFFFAOYSA-N 0 0 195.243 1.938 10 0 ADAERN O=C(CO)Cc1c[nH]c2ccccc12 39185366 571907588 /nfs/dbraw/zinc/90/75/88/571907588.db2.gz HDTKTUMIYBSLSL-UHFFFAOYSA-N 0 0 189.214 1.272 10 0 ADAERN c1ccc(CCCC2OCCO2)nc1 39185492 571907595 /nfs/dbraw/zinc/90/75/95/571907595.db2.gz FDAKDOCALDTCIR-UHFFFAOYSA-N 0 0 193.246 1.777 10 0 ADAERN CCn1ccc(C)c1 39193092 571907602 /nfs/dbraw/zinc/90/76/02/571907602.db2.gz LPRJTTSNPNSAEB-UHFFFAOYSA-N 0 0 109.172 1.816 10 0 ADAERN CC1(C)NC(=O)N(Cl)C1(C)C 39202424 571907629 /nfs/dbraw/zinc/90/76/29/571907629.db2.gz JMHBMBXWTVWNFU-UHFFFAOYSA-N 0 0 176.647 1.723 10 0 ADAERN COc1cc([C@@H]2O[C@@H]2C)ccc1O 39185087 571907634 /nfs/dbraw/zinc/90/76/34/571907634.db2.gz XAPWMPCKNAXACP-LHLIQPBNSA-N 0 0 180.203 1.861 10 0 ADAERN C[C@]1(CO)C[C@H]2C=C[C@@H]1C2 39189722 571907663 /nfs/dbraw/zinc/90/76/63/571907663.db2.gz WNHHRXSVKWWRJY-DJLDLDEBSA-N 0 0 138.210 1.581 10 0 ADAERN C[C@H](CC(F)(F)F)[NH2+]CCC(=O)[O-] 235445976 571908816 /nfs/dbraw/zinc/90/88/16/571908816.db2.gz XVBRKBURZYWMQK-RXMQYKEDSA-N 0 0 199.172 1.392 10 0 ADAERN CC(C)[C@@]12CC[C@@H](O)[C@@H]1C2 39205558 571908817 /nfs/dbraw/zinc/90/88/17/571908817.db2.gz PKSXMHCSAJAURT-YIZRAAEISA-N 0 0 140.226 1.803 10 0 ADAERN C[C@@H](O)C[C@H]1CCCS1 39188629 571907682 /nfs/dbraw/zinc/90/76/82/571907682.db2.gz SQZWUXFVYSLDEE-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN c1ccc2c(c1)OC[C@H]1OCCN[C@H]21 39202085 571907692 /nfs/dbraw/zinc/90/76/92/571907692.db2.gz OBKRGSXABDXYFB-GHMZBOCLSA-N 0 0 191.230 1.109 10 0 ADAERN C[C@H](O)C[C@H]1CCCS1 39188628 571907700 /nfs/dbraw/zinc/90/77/00/571907700.db2.gz SQZWUXFVYSLDEE-NKWVEPMBSA-N 0 0 146.255 1.653 10 0 ADAERN C/C(=C/c1ccccn1)[C@H](C)O 379319412 571907707 /nfs/dbraw/zinc/90/77/07/571907707.db2.gz QKNSVGRLKHWHDJ-FUOZMLNRSA-N 0 0 163.220 1.866 10 0 ADAERN O=C([O-])c1ccccc1[N+](=O)NF 687728640 571907724 /nfs/dbraw/zinc/90/77/24/571907724.db2.gz RKMGRTQFBQEFTL-UHFFFAOYSA-O 0 0 185.134 1.184 10 0 ADAERN O=C1N[C@H](CO)[C@@H](C2CCCCC2)O1 39185718 571907728 /nfs/dbraw/zinc/90/77/28/571907728.db2.gz GOGPEMWXXKDFNP-RKDXNWHRSA-N 0 0 199.250 1.036 10 0 ADAERN CCC[C@H]1OC(C)(C)O[C@H]1CO 39190003 571907732 /nfs/dbraw/zinc/90/77/32/571907732.db2.gz BIWWKAWWWUHFRE-SFYZADRCSA-N 0 0 174.240 1.299 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCS1 39188627 571907738 /nfs/dbraw/zinc/90/77/38/571907738.db2.gz SQZWUXFVYSLDEE-RQJHMYQMSA-N 0 0 146.255 1.653 10 0 ADAERN OC[C@@H]1CCc2ccsc2C1 39184884 571907752 /nfs/dbraw/zinc/90/77/52/571907752.db2.gz UNOSWVWANPIJMS-SSDOTTSWSA-N 0 0 168.261 1.845 10 0 ADAERN COc1cc([C@@H]2O[C@H]2C)ccc1O 39185088 571907811 /nfs/dbraw/zinc/90/78/11/571907811.db2.gz XAPWMPCKNAXACP-QUBYGPBYSA-N 0 0 180.203 1.861 10 0 ADAERN OC[C@@]1(c2ccccc2)CC=CCO1 39185405 571907819 /nfs/dbraw/zinc/90/78/19/571907819.db2.gz CHQGLEAFGBKOIR-GFCCVEGCSA-N 0 0 190.242 1.851 10 0 ADAERN OCC=C1CCCC1 39194521 571907849 /nfs/dbraw/zinc/90/78/49/571907849.db2.gz QVJQOGBUMUORJZ-UHFFFAOYSA-N 0 0 112.172 1.479 10 0 ADAERN O=C(Cc1c[nH]cn1)c1ccccc1 39185251 571907859 /nfs/dbraw/zinc/90/78/59/571907859.db2.gz JVVQXSCWTQMEFA-UHFFFAOYSA-N 0 0 186.214 1.835 10 0 ADAERN CCC[C@@H]1OC(C)(C)O[C@H]1CO 39190005 571907870 /nfs/dbraw/zinc/90/78/70/571907870.db2.gz BIWWKAWWWUHFRE-YUMQZZPRSA-N 0 0 174.240 1.299 10 0 ADAERN NN=Cc1ncc(C(F)(F)F)s1 379326137 571907873 /nfs/dbraw/zinc/90/78/73/571907873.db2.gz GLRHWGCBWNHDFP-UHFFFAOYSA-N 0 0 195.169 1.455 10 0 ADAERN OCCCCC[C@H]1CCOC1 400519051 571907886 /nfs/dbraw/zinc/90/78/86/571907886.db2.gz DAIOIPPSWZNEDL-VIFPVBQESA-N 0 0 158.241 1.576 10 0 ADAERN O=C1N[C@@H]2c3ccccc3OC[C@H]2O1 39202068 571907889 /nfs/dbraw/zinc/90/78/89/571907889.db2.gz BAIYVPCUGFSZKJ-RKDXNWHRSA-N 0 0 191.186 1.229 10 0 ADAERN O[C@@H]1CSCc2ccoc21 39202321 571907910 /nfs/dbraw/zinc/90/79/10/571907910.db2.gz XTXVXNUGGKGHJN-ZCFIWIBFSA-N 0 0 156.206 1.560 10 0 ADAERN Cc1nn(C/C=C\Cl)c(C)c1N 379320585 571907911 /nfs/dbraw/zinc/90/79/11/571907911.db2.gz XJBTXUZFBBZQGM-ARJAWSKDSA-N 0 0 185.658 1.835 10 0 ADAERN CNc1cc(C(=O)OC)ccc1O 39185112 571907913 /nfs/dbraw/zinc/90/79/13/571907913.db2.gz GKYJEIZMSRECOY-UHFFFAOYSA-N 0 0 181.191 1.221 10 0 ADAERN COC[C@@H](NOC)c1ccccc1 234727969 571907917 /nfs/dbraw/zinc/90/79/17/571907917.db2.gz LXVGLDRFMZNNTF-SNVBAGLBSA-N 0 0 181.235 1.525 10 0 ADAERN C[C@H](C(N)=O)C1CCCCC1 39203336 571907944 /nfs/dbraw/zinc/90/79/44/571907944.db2.gz CYKNZBUPYWRARU-ZETCQYMHSA-N 0 0 155.241 1.688 10 0 ADAERN C[NH2+]Cc1cnn(CC2=CCCC2)c1 400518873 571907964 /nfs/dbraw/zinc/90/79/64/571907964.db2.gz XCPQLYLDPHEZIG-UHFFFAOYSA-N 0 0 191.278 1.713 10 0 ADAERN C[C@H](F)C(=O)Nc1ccccc1 39184852 571907979 /nfs/dbraw/zinc/90/79/79/571907979.db2.gz HSHVNTUUPGCHSY-ZETCQYMHSA-N 0 0 167.183 1.983 10 0 ADAERN CCc1nc2s[nH]c(C)c-2c(=O)n1 39191807 571907990 /nfs/dbraw/zinc/90/79/90/571907990.db2.gz WMKXEAUWVMWTQH-UHFFFAOYSA-N 0 0 195.247 1.250 10 0 ADAERN O=C1N[C@H]2c3ccccc3OC[C@@H]2O1 39202071 571908002 /nfs/dbraw/zinc/90/80/02/571908002.db2.gz BAIYVPCUGFSZKJ-IUCAKERBSA-N 0 0 191.186 1.229 10 0 ADAERN Cc1ccc(Cl)n1C 39188979 571908009 /nfs/dbraw/zinc/90/80/09/571908009.db2.gz WQEMAMKFYWGSNI-UHFFFAOYSA-N 0 0 129.590 1.987 10 0 ADAERN COc1cccc(Cl)c1C=NN 379325673 571908011 /nfs/dbraw/zinc/90/80/11/571908011.db2.gz DJNSHRQFWUUGRO-UHFFFAOYSA-N 0 0 184.626 1.641 10 0 ADAERN CC(=NN)c1nc2c(s1)CCC2 379319059 571908015 /nfs/dbraw/zinc/90/80/15/571908015.db2.gz OGEYMKKMESJMIV-UHFFFAOYSA-N 0 0 181.264 1.315 10 0 ADAERN C/C(=C/c1ccccn1)[C@@H](C)O 379319413 571908035 /nfs/dbraw/zinc/90/80/35/571908035.db2.gz QKNSVGRLKHWHDJ-UFGYOYAJSA-N 0 0 163.220 1.866 10 0 ADAERN C/C=C\Cn1cc(N)ccc1=O 379320808 571908042 /nfs/dbraw/zinc/90/80/42/571908042.db2.gz YSSBBWQBNPMWAN-IHWYPQMZSA-N 0 0 164.208 1.007 10 0 ADAERN C[C@@H]1CC[C@]2(CCCC[C@@H]2O)[C@H]1O 39185206 571908079 /nfs/dbraw/zinc/90/80/79/571908079.db2.gz MWGWAPSQVDXCJF-RCWTZXSCSA-N 0 0 184.279 1.699 10 0 ADAERN O=C1CCN1c1c[nH]c2ccccc12 39189717 571908139 /nfs/dbraw/zinc/90/81/39/571908139.db2.gz CPARGLKPDMDPKC-UHFFFAOYSA-N 0 0 186.214 1.905 10 0 ADAERN O=S1(=O)CCC[C@@H]1c1ccccc1 39189485 571908167 /nfs/dbraw/zinc/90/81/67/571908167.db2.gz NDYAPPXHTKCHLG-SNVBAGLBSA-N 0 0 196.271 1.936 10 0 ADAERN CCC[C@@H]1OC(C)(C)O[C@@H]1CO 39190009 571908211 /nfs/dbraw/zinc/90/82/11/571908211.db2.gz BIWWKAWWWUHFRE-JGVFFNPUSA-N 0 0 174.240 1.299 10 0 ADAERN Cc1cnnc(S[C@H](C)CCO)c1 235436496 571908212 /nfs/dbraw/zinc/90/82/12/571908212.db2.gz JNVYVQNJBRNUQE-MRVPVSSYSA-N 0 0 198.291 1.648 10 0 ADAERN C[C@H](O)C[C@@H]1CCCS1 39188626 571908223 /nfs/dbraw/zinc/90/82/23/571908223.db2.gz SQZWUXFVYSLDEE-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN Cc1cc2occc2c(=O)[nH]1 39189134 571908260 /nfs/dbraw/zinc/90/82/60/571908260.db2.gz DUXRYQQDOXGWAU-UHFFFAOYSA-N 0 0 149.149 1.430 10 0 ADAERN O[C@H]1CSCc2ccoc21 39202319 571908262 /nfs/dbraw/zinc/90/82/62/571908262.db2.gz XTXVXNUGGKGHJN-LURJTMIESA-N 0 0 156.206 1.560 10 0 ADAERN COc1cc([C@H]2O[C@H]2C)ccc1O 39185090 571908265 /nfs/dbraw/zinc/90/82/65/571908265.db2.gz XAPWMPCKNAXACP-WKEGUHRASA-N 0 0 180.203 1.861 10 0 ADAERN O=C1NCCCCCCCCN1 39190531 571908283 /nfs/dbraw/zinc/90/82/83/571908283.db2.gz XLVKQSWICXTMPN-UHFFFAOYSA-N 0 0 170.256 1.640 10 0 ADAERN Cc1nc(N)c2c(C)nsc2n1 39191801 571908324 /nfs/dbraw/zinc/90/83/24/571908324.db2.gz AYZYHSGALAQTEJ-UHFFFAOYSA-N 0 0 180.236 1.285 10 0 ADAERN CCc1cc(C)no1 39192018 571908329 /nfs/dbraw/zinc/90/83/29/571908329.db2.gz UXRYUEYIWUWQIH-UHFFFAOYSA-N 0 0 111.144 1.545 10 0 ADAERN NN=C/C=C/c1ccc(F)cc1 379324935 571908794 /nfs/dbraw/zinc/90/87/94/571908794.db2.gz ABLOQFLZQQVWBZ-VSPICASUSA-N 0 0 164.183 1.783 10 0 ADAERN COCCOc1nccc(Cl)n1 145350719 571908360 /nfs/dbraw/zinc/90/83/60/571908360.db2.gz ARARABVMUKJRLX-UHFFFAOYSA-N 0 0 188.614 1.155 10 0 ADAERN CNc1ccc2nsnc2c1 39199584 571908367 /nfs/dbraw/zinc/90/83/67/571908367.db2.gz DJVDANBBTFDHCW-UHFFFAOYSA-N 0 0 165.221 1.733 10 0 ADAERN Nc1cnnc2c(Cl)cccc12 39185082 571908376 /nfs/dbraw/zinc/90/83/76/571908376.db2.gz ZSSJMQUFNUKOAO-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN c1ccc(O[C@@H]2CCOC2)nc1 147963518 571908380 /nfs/dbraw/zinc/90/83/80/571908380.db2.gz MBVZUFGDKMXQJS-MRVPVSSYSA-N 0 0 165.192 1.249 10 0 ADAERN OCCCCC[C@@H]1CCOC1 400519050 571908393 /nfs/dbraw/zinc/90/83/93/571908393.db2.gz DAIOIPPSWZNEDL-SECBINFHSA-N 0 0 158.241 1.576 10 0 ADAERN COc1ccc2cnc3ccc1n23 39191854 571908414 /nfs/dbraw/zinc/90/84/14/571908414.db2.gz MEYYKJULXZCOSZ-UHFFFAOYSA-N 0 0 172.187 1.934 10 0 ADAERN C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@@H]1C(=O)[O-] 235438396 571908419 /nfs/dbraw/zinc/90/84/19/571908419.db2.gz GRXRYAVSOZBXOM-FKTZTGRPSA-N 0 0 197.278 1.628 10 0 ADAERN O[C@@H]1C=C[C@@H](O)c2ccccc21 39194348 571908424 /nfs/dbraw/zinc/90/84/24/571908424.db2.gz QRZINIDQKGUJSY-NXEZZACHSA-N 0 0 162.188 1.323 10 0 ADAERN OC[C@H]1CCc2ccsc2C1 39184883 571908434 /nfs/dbraw/zinc/90/84/34/571908434.db2.gz UNOSWVWANPIJMS-ZETCQYMHSA-N 0 0 168.261 1.845 10 0 ADAERN COc1cccnc1C(=O)[C@H](C)OC 234728483 571908439 /nfs/dbraw/zinc/90/84/39/571908439.db2.gz XNGBOEVGAWQQGB-ZETCQYMHSA-N 0 0 195.218 1.308 10 0 ADAERN O=C1N[C@H]2c3ccccc3OC[C@H]2O1 39202069 571908455 /nfs/dbraw/zinc/90/84/55/571908455.db2.gz BAIYVPCUGFSZKJ-BDAKNGLRSA-N 0 0 191.186 1.229 10 0 ADAERN OC[C@]12CCCC[C@@]1(CO)CCC2 39185211 571908475 /nfs/dbraw/zinc/90/84/75/571908475.db2.gz SROFPUWZCZIERH-PHIMTYICSA-N 0 0 184.279 1.702 10 0 ADAERN O=C1N[C@H]2[C@@H](CO1)[C@@H]2c1ccccc1 39185364 571908479 /nfs/dbraw/zinc/90/84/79/571908479.db2.gz YSIKCNFWRQIPOB-GUBZILKMSA-N 0 0 189.214 1.508 10 0 ADAERN C[C@@H](O)[C@H]1C[C@H]2C=C[C@@H]1C2 39194118 571908485 /nfs/dbraw/zinc/90/84/85/571908485.db2.gz OVEARCWULHSQDS-BZNPZCIMSA-N 0 0 138.210 1.579 10 0 ADAERN C[C@@]1(CO)C[C@H]2C=C[C@@H]1C2 39189723 571908495 /nfs/dbraw/zinc/90/84/95/571908495.db2.gz WNHHRXSVKWWRJY-YIZRAAEISA-N 0 0 138.210 1.581 10 0 ADAERN COC(=O)c1cc(C)c(C(C)=O)[nH]1 39185110 571908524 /nfs/dbraw/zinc/90/85/24/571908524.db2.gz NGBFNWAXLDMFJF-UHFFFAOYSA-N 0 0 181.191 1.312 10 0 ADAERN CC(=O)N1CCOc2cc(O)ccc21 39185482 571908533 /nfs/dbraw/zinc/90/85/33/571908533.db2.gz JPOMXBJWQISXLN-UHFFFAOYSA-N 0 0 193.202 1.138 10 0 ADAERN Cc1ncnnc1-c1ccccc1 39191449 571908575 /nfs/dbraw/zinc/90/85/75/571908575.db2.gz BZSANQLAKGPNNE-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN CC(C)C[C@H](C)n1cnc(CO)c1 300769684 571908686 /nfs/dbraw/zinc/90/86/86/571908686.db2.gz ZKNTWSKSXDKYJV-VIFPVBQESA-N 0 0 182.267 1.983 10 0 ADAERN C/C=C\C[N@@H+]1CC[C@H](C)[C@H]1C(=O)[O-] 388160688 571908717 /nfs/dbraw/zinc/90/87/17/571908717.db2.gz JFRMJMUDZKUSRE-HIYAPSCVSA-N 0 0 183.251 1.358 10 0 ADAERN CCC(C)(C)/C=C1\CC(=O)NC1=O 394694282 571908749 /nfs/dbraw/zinc/90/87/49/571908749.db2.gz REBBLFXSOFGIAQ-VOTSOKGWSA-N 0 0 181.235 1.396 10 0 ADAERN CC(C)[C@@]12CC[C@H](O)[C@@H]1C2 39205557 571908854 /nfs/dbraw/zinc/90/88/54/571908854.db2.gz PKSXMHCSAJAURT-CIUDSAMLSA-N 0 0 140.226 1.803 10 0 ADAERN N=NC=CCc1ccc(F)cc1 379324936 571908905 /nfs/dbraw/zinc/90/89/05/571908905.db2.gz ABLOQFLZQQVWBZ-WBBNMCRWSA-N 0 0 164.183 1.783 10 0 ADAERN CO[C@@H]1CCCC/C1=C/[C@@H](C)O 379320653 571909126 /nfs/dbraw/zinc/90/91/26/571909126.db2.gz XSNYKHHGWDEAKX-CODANPLPSA-N 0 0 170.252 1.883 10 0 ADAERN [O-][n+]1ncn2c3ccccc3sc21 687728987 571908974 /nfs/dbraw/zinc/90/89/74/571908974.db2.gz ZUGHYGHUAKXIAE-UHFFFAOYSA-N 0 0 191.215 1.182 10 0 ADAERN Cn1ncc(Cl)c(NC2CC2)c1=O 39217007 571908985 /nfs/dbraw/zinc/90/89/85/571908985.db2.gz DKVSPVSIGBWPSK-UHFFFAOYSA-N 0 0 199.641 1.008 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@](C)(O)O2 39213931 571908991 /nfs/dbraw/zinc/90/89/91/571908991.db2.gz YNJNRVVGGOHPQJ-JTQLQIEISA-N 0 0 178.187 1.279 10 0 ADAERN O=C1CCCCc2ncccc21 39207386 571909002 /nfs/dbraw/zinc/90/90/02/571909002.db2.gz DTFDSZXXUMXKCB-UHFFFAOYSA-N 0 0 161.204 1.991 10 0 ADAERN CCOC(=N)NC(=O)c1ccccc1 39207707 571909032 /nfs/dbraw/zinc/90/90/32/571909032.db2.gz QJCFJKKUNQKGFA-UHFFFAOYSA-N 0 0 192.218 1.388 10 0 ADAERN CCc1nc(C)c(C(C)=NN)s1 379325644 571909039 /nfs/dbraw/zinc/90/90/39/571909039.db2.gz DGMJHIPSEKAVJX-UHFFFAOYSA-N 0 0 183.280 1.697 10 0 ADAERN C[C@@H](C(N)=O)C1CCCCC1 39203337 571909059 /nfs/dbraw/zinc/90/90/59/571909059.db2.gz CYKNZBUPYWRARU-SSDOTTSWSA-N 0 0 155.241 1.688 10 0 ADAERN C/C(=C\Cl)Cn1ccc(=O)cc1 379323835 571909083 /nfs/dbraw/zinc/90/90/83/571909083.db2.gz TZKNVQWCTSJLIO-SOFGYWHQSA-N 0 0 183.638 1.991 10 0 ADAERN CC1=CCC[C@H](CO)C1 39204247 571909095 /nfs/dbraw/zinc/90/90/95/571909095.db2.gz NPYBERWOEMVZCJ-QMMMGPOBSA-N 0 0 126.199 1.725 10 0 ADAERN CCOC1=NC[C@@H](O)c2ccccc21 39212502 571909427 /nfs/dbraw/zinc/90/94/27/571909427.db2.gz ROPNQGOQRBSHPA-SNVBAGLBSA-N 0 0 191.230 1.517 10 0 ADAERN C[C@@H]1NC(=O)O[C@@H]1c1cccs1 39209464 571909425 /nfs/dbraw/zinc/90/94/25/571909425.db2.gz DCIVLLOUFRTVFH-FSPLSTOPSA-N 0 0 183.232 1.918 10 0 ADAERN C=C=CC[C@@H](C)O 39204485 571909349 /nfs/dbraw/zinc/90/93/49/571909349.db2.gz ULWHIJPQJSCLAV-ZCFIWIBFSA-N 0 0 98.145 1.098 10 0 ADAERN Cc1cccc(C)c1CN1CC(O)C1 126364175 571909352 /nfs/dbraw/zinc/90/93/52/571909352.db2.gz GQTHJQCRGXNPCR-UHFFFAOYSA-N 0 0 191.274 1.480 10 0 ADAERN CC(=O)Nc1cc(C)sn1 39207223 571909361 /nfs/dbraw/zinc/90/93/61/571909361.db2.gz MKAOIIMNGRWDEJ-UHFFFAOYSA-N 0 0 156.210 1.410 10 0 ADAERN CN1C=NNc2ccccc2C1=O 39213982 571909363 /nfs/dbraw/zinc/90/93/63/571909363.db2.gz SIZSBFGKXZMMML-UHFFFAOYSA-N 0 0 175.191 1.127 10 0 ADAERN CC(=O)[C@H](c1ccoc1C)N(C)C 39212692 571909379 /nfs/dbraw/zinc/90/93/79/571909379.db2.gz HMVDRLFYLIXGHK-SNVBAGLBSA-N 0 0 181.235 1.780 10 0 ADAERN O=C1C[C@H]2CCC[C@H]2CCN1 39212546 571909397 /nfs/dbraw/zinc/90/93/97/571909397.db2.gz DVECSUPYVIWVFQ-JGVFFNPUSA-N 0 0 153.225 1.313 10 0 ADAERN CCNc1c2ccccc2s[n+]1[O-] 687807623 571909419 /nfs/dbraw/zinc/90/94/19/571909419.db2.gz IWSQPYGQESKQTN-UHFFFAOYSA-N 0 0 194.259 1.967 10 0 ADAERN O=C1C[C@@H]2CCC=C[C@H]2O1 39215163 571909434 /nfs/dbraw/zinc/90/94/34/571909434.db2.gz OXTLVJJVUCKKTN-NKWVEPMBSA-N 0 0 138.166 1.268 10 0 ADAERN CCCCCc1ccc(N)nn1 113392631 571909447 /nfs/dbraw/zinc/90/94/47/571909447.db2.gz BMTMJORZVUSICJ-UHFFFAOYSA-N 0 0 165.240 1.792 10 0 ADAERN CC(C)[C@@](O)(C(N)=O)c1ccccc1 39208753 571909468 /nfs/dbraw/zinc/90/94/68/571909468.db2.gz BSIBQWOEZBFBDT-NSHDSACASA-N 0 0 193.246 1.016 10 0 ADAERN CC(C)[C@H]1C=C[C@@H](O)CC1 39204648 571909513 /nfs/dbraw/zinc/90/95/13/571909513.db2.gz CJAQNMJQZNLNHG-DTWKUNHWSA-N 0 0 140.226 1.970 10 0 ADAERN CC[C@@H]1CCCCC(=O)N1 39212552 571909537 /nfs/dbraw/zinc/90/95/37/571909537.db2.gz MMPXHHOJBIATRS-SSDOTTSWSA-N 0 0 141.214 1.455 10 0 ADAERN O=C1C[C@H]2CCC[C@@H]2CCN1 39212545 571909542 /nfs/dbraw/zinc/90/95/42/571909542.db2.gz DVECSUPYVIWVFQ-HTQZYQBOSA-N 0 0 153.225 1.313 10 0 ADAERN O=C1N[C@H]2C3CCC(CC3)[C@H]2O1 39216893 571909552 /nfs/dbraw/zinc/90/95/52/571909552.db2.gz GSDCCVISPQBXAT-RLXKETGRSA-N 0 0 167.208 1.283 10 0 ADAERN CCOC1=NC[C@H](O)c2ccccc21 39212501 571909579 /nfs/dbraw/zinc/90/95/79/571909579.db2.gz ROPNQGOQRBSHPA-JTQLQIEISA-N 0 0 191.230 1.517 10 0 ADAERN COC[C@@](O)(CCC1CC1)C1CC1 234728800 571909600 /nfs/dbraw/zinc/90/96/00/571909600.db2.gz BDEMWBOPSIOQRF-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN Cc1cc(N)c2ccccc2[n+]1[O-] 687728602 571909516 /nfs/dbraw/zinc/90/95/16/571909516.db2.gz NZTWOCVQFLQILW-UHFFFAOYSA-N 0 0 174.203 1.364 10 0 ADAERN C[C@H](CC(F)(F)F)[NH2+]CC(=O)[O-] 235445428 571909529 /nfs/dbraw/zinc/90/95/29/571909529.db2.gz LRTPLQWJRDXUPI-SCSAIBSYSA-N 0 0 185.145 1.002 10 0 ADAERN Cc1cccc2c1CC(=O)C2 39213754 571909825 /nfs/dbraw/zinc/90/98/25/571909825.db2.gz BIMZZJDNYSFXCL-UHFFFAOYSA-N 0 0 146.189 1.663 10 0 ADAERN OC/C=C/C[C@@H]1CCSC1 687678337 571909829 /nfs/dbraw/zinc/90/98/29/571909829.db2.gz HZTPNTHIVIRVAT-FHKCNRDCSA-N 0 0 158.266 1.678 10 0 ADAERN OCC/C=C/C[C@H]1CCCO1 687678163 571909860 /nfs/dbraw/zinc/90/98/60/571909860.db2.gz FRLJCMIBDBEIPP-VWCDRPFISA-N 0 0 156.225 1.494 10 0 ADAERN c1ccc2cn3nnnc3cc2c1 39203704 571909882 /nfs/dbraw/zinc/90/98/82/571909882.db2.gz JUVBOYIWPCCZGV-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN Cc1ccc(C[C@H](C)O)c(N)c1 39203728 571909910 /nfs/dbraw/zinc/90/99/10/571909910.db2.gz KCVVISPXRCBYQV-QMMMGPOBSA-N 0 0 165.236 1.501 10 0 ADAERN CCn1c(C)nc(C)c1C(C)=O 39071897 571909924 /nfs/dbraw/zinc/90/99/24/571909924.db2.gz OJVRZNFUSSLRKM-UHFFFAOYSA-N 0 0 166.224 1.722 10 0 ADAERN OC/C=C/C[C@@H]1CCCCO1 687678172 571909927 /nfs/dbraw/zinc/90/99/27/571909927.db2.gz CVGWPYGYGNRVMF-FAIQTLDISA-N 0 0 156.225 1.494 10 0 ADAERN COc1nc(C)cc(C(F)(F)F)n1 39207372 571909940 /nfs/dbraw/zinc/90/99/40/571909940.db2.gz FPUVQHMRRZGVRH-UHFFFAOYSA-N 0 0 192.140 1.812 10 0 ADAERN O=CNCCc1ccccc1Cl 39212791 571909947 /nfs/dbraw/zinc/90/99/47/571909947.db2.gz FBAWZHUIVANMHE-UHFFFAOYSA-N 0 0 183.638 1.629 10 0 ADAERN CO[C@]1(C)Oc2ccc(C)cc2[C@@H]1O 39213956 571909962 /nfs/dbraw/zinc/90/99/62/571909962.db2.gz KMZJKNHAUHMYRR-WDEREUQCSA-N 0 0 194.230 1.783 10 0 ADAERN CC(C)(C)NC1=NC(=O)CCS1 39212662 571909995 /nfs/dbraw/zinc/90/99/95/571909995.db2.gz QCLKNZFZTGOTOX-UHFFFAOYSA-N 0 0 186.280 1.394 10 0 ADAERN C1COC2(CCSCC2)O1 39208660 571910003 /nfs/dbraw/zinc/91/00/03/571910003.db2.gz UFFUZMTUDBDKNF-UHFFFAOYSA-N 0 0 160.238 1.257 10 0 ADAERN Cc1ncc(C)n2cccc12 39217112 571910038 /nfs/dbraw/zinc/91/00/38/571910038.db2.gz FRKUPFZWTZZLGN-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 endogenous,in-man ADAERN c1csc(CNN2CCCCC2)n1 22862629 571910054 /nfs/dbraw/zinc/91/00/54/571910054.db2.gz TUMFXPCLGOKXIG-UHFFFAOYSA-N 0 0 197.307 1.634 10 0 ADAERN CCNc1cc2c(cc1F)no[n+]2[O-] 687728617 571910062 /nfs/dbraw/zinc/91/00/62/571910062.db2.gz SYBHTJQOKCSIOZ-UHFFFAOYSA-N 0 0 197.169 1.032 10 0 ADAERN CC(C)(C(=O)[O-])C1([NH3+])CCCCC1 687728969 571910094 /nfs/dbraw/zinc/91/00/94/571910094.db2.gz DAFNTFOPZUUWMB-UHFFFAOYSA-N 0 0 185.267 1.759 10 0 ADAERN C[C@]1(CO)CCc2ccccc2O1 39209557 571910104 /nfs/dbraw/zinc/91/01/04/571910104.db2.gz IZDNTTWZMDCNJE-LLVKDONJSA-N 0 0 178.231 1.763 10 0 ADAERN C[C@H]1NC(=O)O[C@H]1c1cccs1 39209461 571910110 /nfs/dbraw/zinc/91/01/10/571910110.db2.gz DCIVLLOUFRTVFH-IYSWYEEDSA-N 0 0 183.232 1.918 10 0 ADAERN CC1(C)[C@@H]2C[C@H]1CC[C@@H]2O 39205817 571910136 /nfs/dbraw/zinc/91/01/36/571910136.db2.gz DEDZBEBBIUTZAJ-PRJMDXOYSA-N 0 0 140.226 1.803 10 0 ADAERN O=C1CN2C=Cc3ccccc3C2=N1 39205733 571910385 /nfs/dbraw/zinc/91/03/85/571910385.db2.gz IPTOCVFIHUJBHY-UHFFFAOYSA-N 0 0 184.198 1.260 10 0 ADAERN C[C@H]1NC(=O)O[C@@H]1c1cccs1 39209463 571910450 /nfs/dbraw/zinc/91/04/50/571910450.db2.gz DCIVLLOUFRTVFH-VDTYLAMSSA-N 0 0 183.232 1.918 10 0 ADAERN C[C@@]1(O)C(=O)CCc2ccccc21 39216347 571910471 /nfs/dbraw/zinc/91/04/71/571910471.db2.gz SIJKVFQSHGYGII-NSHDSACASA-N 0 0 176.215 1.409 10 0 ADAERN CCCCn1sccc1=O 39215173 571910504 /nfs/dbraw/zinc/91/05/04/571910504.db2.gz CRTPTZMJMAGFEQ-UHFFFAOYSA-N 0 0 157.238 1.710 10 0 ADAERN CO[C@@]1(C)Oc2ccc(C)cc2[C@H]1O 39213955 571910517 /nfs/dbraw/zinc/91/05/17/571910517.db2.gz KMZJKNHAUHMYRR-MNOVXSKESA-N 0 0 194.230 1.783 10 0 ADAERN OC/C=C/[C@H]1CCCCS1 687678342 571910523 /nfs/dbraw/zinc/91/05/23/571910523.db2.gz WBSVAHYKNJAIER-RYEJSQLPSA-N 0 0 158.266 1.821 10 0 ADAERN CCCNC(=S)C(C)C 39209443 571910528 /nfs/dbraw/zinc/91/05/28/571910528.db2.gz BXFVKPSZJRIIRU-UHFFFAOYSA-N 0 0 145.271 1.969 10 0 ADAERN CC(=O)[C@@H](c1ccoc1C)N(C)C 39212693 571910675 /nfs/dbraw/zinc/91/06/75/571910675.db2.gz HMVDRLFYLIXGHK-JTQLQIEISA-N 0 0 181.235 1.780 10 0 ADAERN Cc1cc(O)cc(=S)s1 39205366 571910595 /nfs/dbraw/zinc/91/05/95/571910595.db2.gz YQRHQIHVEZPEBM-UHFFFAOYSA-N 0 0 158.247 1.705 10 0 ADAERN C/C(Br)=C/CO 39212887 571910645 /nfs/dbraw/zinc/91/06/45/571910645.db2.gz WGSISXQCCOFXKW-RQOWECAXSA-N 0 0 151.003 1.277 10 0 ADAERN CC(C)[C@@H]1C=C[C@H](O)CC1 39204650 571910648 /nfs/dbraw/zinc/91/06/48/571910648.db2.gz CJAQNMJQZNLNHG-BDAKNGLRSA-N 0 0 140.226 1.970 10 0 ADAERN O=C1CCCC[C@@H](O)CC1 39216330 571910650 /nfs/dbraw/zinc/91/06/50/571910650.db2.gz TZBQHMYSTXIRKH-SSDOTTSWSA-N 0 0 142.198 1.271 10 0 ADAERN CC(C)(C)[C@@H]1C=CC(=O)O1 39215977 571910787 /nfs/dbraw/zinc/91/07/87/571910787.db2.gz YTUYWTBIUUZGRW-LURJTMIESA-N 0 0 140.182 1.514 10 0 ADAERN CCc1cc(=O)cco1 39215775 571910803 /nfs/dbraw/zinc/91/08/03/571910803.db2.gz PKQAHZPFLTXYJB-UHFFFAOYSA-N 0 0 124.139 1.202 10 0 ADAERN CCOc1ccnc(C(C)=O)n1 39072060 571910809 /nfs/dbraw/zinc/91/08/09/571910809.db2.gz LNLIGTYHRVFOBN-UHFFFAOYSA-N 0 0 166.180 1.078 10 0 ADAERN C[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1O 39205385 571910817 /nfs/dbraw/zinc/91/08/17/571910817.db2.gz XURQJXSWNOUOGJ-ULAWRXDQSA-N 0 0 126.199 1.413 10 0 ADAERN Cc1ccc2c(n1)[C@H](C(N)=O)CCC2 39204956 571910822 /nfs/dbraw/zinc/91/08/22/571910822.db2.gz RGSIOWMEWWKKNK-SECBINFHSA-N 0 0 190.246 1.295 10 0 ADAERN OC/C=C/[C@@H]1CCCS1 687677918 571910856 /nfs/dbraw/zinc/91/08/56/571910856.db2.gz QWIINYRSHMPXEC-RCYFRSRISA-N 0 0 144.239 1.431 10 0 ADAERN C[C@H](O)[C@@H]1C(=O)CCC[C@@H]1C 165536680 571910857 /nfs/dbraw/zinc/91/08/57/571910857.db2.gz YGGKQZAKEPPYQP-ACLDMZEESA-N 0 0 156.225 1.373 10 0 ADAERN OCC/C=C/C[C@H]1CCOC1 687678169 571910900 /nfs/dbraw/zinc/91/09/00/571910900.db2.gz AUGVYOWVMNEZTN-VWCDRPFISA-N 0 0 156.225 1.352 10 0 ADAERN C[C@H](CC1CC1)[N@H+](C)C(C)(C)C(=O)[O-] 229758505 571910919 /nfs/dbraw/zinc/91/09/19/571910919.db2.gz JAQWXXJCYTVJLC-MRVPVSSYSA-N 0 0 199.294 1.970 10 0 ADAERN CO[C@]1(C)Oc2ccc(C)cc2[C@H]1O 39213957 571910921 /nfs/dbraw/zinc/91/09/21/571910921.db2.gz KMZJKNHAUHMYRR-GHMZBOCLSA-N 0 0 194.230 1.783 10 0 ADAERN OC/C=C/CC1CCOCC1 687678186 571910931 /nfs/dbraw/zinc/91/09/31/571910931.db2.gz WZLQGTKJNZJZNG-OWOJBTEDSA-N 0 0 156.225 1.352 10 0 ADAERN C[C@H](C[NH2+]CCCCC(=O)[O-])C1CC1 235452500 571910947 /nfs/dbraw/zinc/91/09/47/571910947.db2.gz ZYSHTRJBTPIPHP-SECBINFHSA-N 0 0 199.294 1.877 10 0 ADAERN NC(=S)Nc1cccs1 39212417 571910966 /nfs/dbraw/zinc/91/09/66/571910966.db2.gz TXSVRMABOIMFTH-UHFFFAOYSA-N 0 0 158.251 1.404 10 0 ADAERN COC1=NCCCC[C@@H]1C 39212412 571910976 /nfs/dbraw/zinc/91/09/76/571910976.db2.gz JOGRZHREZXEWTH-ZETCQYMHSA-N 0 0 141.214 1.851 10 0 ADAERN CNc1c(Cl)nc[nH]c1=S 39212646 571910983 /nfs/dbraw/zinc/91/09/83/571910983.db2.gz GDXJXMUQWVIUNG-UHFFFAOYSA-N 0 0 175.644 1.460 10 0 ADAERN Cc1ccc2c(n1)[C@@H](C(N)=O)CCC2 39204957 571910994 /nfs/dbraw/zinc/91/09/94/571910994.db2.gz RGSIOWMEWWKKNK-VIFPVBQESA-N 0 0 190.246 1.295 10 0 ADAERN COC(=O)/C=C\C=C/C1CC1 687678134 571911005 /nfs/dbraw/zinc/91/10/05/571911005.db2.gz QWYSYDPULJBGSV-JVLMNHKTSA-N 0 0 152.193 1.682 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccccn1 145384941 571911044 /nfs/dbraw/zinc/91/10/44/571911044.db2.gz HJPKUZSUYGIONT-IONNQARKSA-N 0 0 194.234 1.192 10 0 ADAERN CC[C@H](C)NC(C)=S 39213474 571911045 /nfs/dbraw/zinc/91/10/45/571911045.db2.gz AUEGRBJLPIYBBQ-YFKPBYRVSA-N 0 0 131.244 1.722 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@](C)(O)O2 39213932 571911050 /nfs/dbraw/zinc/91/10/50/571911050.db2.gz YNJNRVVGGOHPQJ-SNVBAGLBSA-N 0 0 178.187 1.279 10 0 ADAERN CN(C)C(=O)N(C)c1ccccc1 39209313 571911063 /nfs/dbraw/zinc/91/10/63/571911063.db2.gz TTZPPHVMXXHUBH-UHFFFAOYSA-N 0 0 178.235 1.804 10 0 ADAERN Cc1ccc(C[C@@H](C)O)c(N)c1 39203726 571911086 /nfs/dbraw/zinc/91/10/86/571911086.db2.gz KCVVISPXRCBYQV-MRVPVSSYSA-N 0 0 165.236 1.501 10 0 ADAERN CC[C@](C)(Cl)C(C)=O 39233791 571911938 /nfs/dbraw/zinc/91/19/38/571911938.db2.gz GHOXINROVKFUBQ-LURJTMIESA-N 0 0 134.606 1.983 10 0 ADAERN CO[C@@]1(C)Oc2ccc(C)cc2[C@@H]1O 39213954 571911133 /nfs/dbraw/zinc/91/11/33/571911133.db2.gz KMZJKNHAUHMYRR-QWRGUYRKSA-N 0 0 194.230 1.783 10 0 ADAERN C[C@H](NN(C)C)c1nccs1 22862159 571911138 /nfs/dbraw/zinc/91/11/38/571911138.db2.gz JEXSOVJLUBOHEA-LURJTMIESA-N 0 0 171.269 1.270 10 0 ADAERN COC(OC)C1CCCC1 39204333 571911140 /nfs/dbraw/zinc/91/11/40/571911140.db2.gz FOGBJDQGSHCZHE-UHFFFAOYSA-N 0 0 144.214 1.796 10 0 ADAERN OCC/C=C/[C@@H]1CCSC1 687678335 571911142 /nfs/dbraw/zinc/91/11/42/571911142.db2.gz GXLWCLKZZWMIEI-YUQHSTNDSA-N 0 0 158.266 1.678 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]C[C@H]1CC1(C)C 235448471 571911149 /nfs/dbraw/zinc/91/11/49/571911149.db2.gz KIKHOXHQSKIDJX-RKDXNWHRSA-N 0 0 199.294 1.875 10 0 ADAERN OCC/C=C/[C@H]1CCCOC1 687678166 571911151 /nfs/dbraw/zinc/91/11/51/571911151.db2.gz LCANVJMAZSKSJK-PWTMJPFMSA-N 0 0 156.225 1.352 10 0 ADAERN Cc1csc([C@H](C)NN(C)C)n1 22862610 571911168 /nfs/dbraw/zinc/91/11/68/571911168.db2.gz WWEDCLJWJCBLJF-ZETCQYMHSA-N 0 0 185.296 1.579 10 0 ADAERN OC/C=C\COC1CCCC1 687678136 571911194 /nfs/dbraw/zinc/91/11/94/571911194.db2.gz IEAWHFKKCAMZSU-ARJAWSKDSA-N 0 0 156.225 1.494 10 0 ADAERN OC/C=C/[C@@H]1CCCCS1 687678343 571911207 /nfs/dbraw/zinc/91/12/07/571911207.db2.gz WBSVAHYKNJAIER-WGAJWPLOSA-N 0 0 158.266 1.821 10 0 ADAERN OC/C=C/[C@H]1CCCS1 687677919 571911213 /nfs/dbraw/zinc/91/12/13/571911213.db2.gz QWIINYRSHMPXEC-RMKMGNDCSA-N 0 0 144.239 1.431 10 0 ADAERN Cc1cc(=O)c2c([nH]1)CCC2 39222711 571911616 /nfs/dbraw/zinc/91/16/16/571911616.db2.gz PVBVVJSNLGGVBL-UHFFFAOYSA-N 0 0 149.193 1.172 10 0 ADAERN COC(=O)C/C=C/C1CCC1 687678121 571911323 /nfs/dbraw/zinc/91/13/23/571911323.db2.gz UAIXGYDBZGUKER-ZZXKWVIFSA-N 0 0 154.209 1.906 10 0 ADAERN OC/C=C1/CCCOCC1 687677868 571911418 /nfs/dbraw/zinc/91/14/18/571911418.db2.gz MRYJZFDBIINBJX-BAQGIRSFSA-N 0 0 142.198 1.106 10 0 ADAERN OCC/C=C/C[C@@H]1CCCO1 687678162 571911446 /nfs/dbraw/zinc/91/14/46/571911446.db2.gz FRLJCMIBDBEIPP-GPYPMJJRSA-N 0 0 156.225 1.494 10 0 ADAERN Cc1cc(N)cnc1Cc1ccncc1 235774367 571911461 /nfs/dbraw/zinc/91/14/61/571911461.db2.gz YCPRFOUQSTVEEB-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN CC(C)(C)C(=O)[C@H]1C[C@H]1CO 39223943 571911485 /nfs/dbraw/zinc/91/14/85/571911485.db2.gz BMQUNCVYHJMXJR-BQBZGAKWSA-N 0 0 156.225 1.230 10 0 ADAERN OC/C=C/C[C@H]1CCSC1 687678336 571911533 /nfs/dbraw/zinc/91/15/33/571911533.db2.gz HZTPNTHIVIRVAT-CMLYIYFCSA-N 0 0 158.266 1.678 10 0 ADAERN CCOC(=O)/C(F)=C\C1CC1 687678328 571911548 /nfs/dbraw/zinc/91/15/48/571911548.db2.gz MPQCWQDSWNYCRM-FNORWQNLSA-N 0 0 158.172 1.813 10 0 ADAERN OCC/C=C/C1CCOCC1 687678185 571911552 /nfs/dbraw/zinc/91/15/52/571911552.db2.gz UTWJXVSFZMOYNI-HNQUOIGGSA-N 0 0 156.225 1.352 10 0 ADAERN OC/C=C/C[C@@H]1CCCS1 687678341 571911580 /nfs/dbraw/zinc/91/15/80/571911580.db2.gz LSKYVDDOLWKSTJ-FHKCNRDCSA-N 0 0 158.266 1.821 10 0 ADAERN OCC/C=C/[C@H]1CCSC1 687678334 571911589 /nfs/dbraw/zinc/91/15/89/571911589.db2.gz GXLWCLKZZWMIEI-LKVYWMSASA-N 0 0 158.266 1.678 10 0 ADAERN C[C@H](O)P(c1ccccc1)[C@H](C)O 39236502 571911594 /nfs/dbraw/zinc/91/15/94/571911594.db2.gz BXIIBXNTFQLUIA-RKDXNWHRSA-N 0 0 198.202 1.470 10 0 ADAERN OCC/C=C/[C@@H]1CCCOC1 687678165 571911959 /nfs/dbraw/zinc/91/19/59/571911959.db2.gz LCANVJMAZSKSJK-CITMHJQUSA-N 0 0 156.225 1.352 10 0 ADAERN OCC/C=C/C1CCC1 687677300 571911661 /nfs/dbraw/zinc/91/16/61/571911661.db2.gz ZLKARVHRHOPTRP-DAFODLJHSA-N 0 0 126.199 1.725 10 0 ADAERN CCC(=O)C[C@@H](C)C(C)=O 39218463 571911663 /nfs/dbraw/zinc/91/16/63/571911663.db2.gz HOJASNKTWKWRHK-ZCFIWIBFSA-N 0 0 142.198 1.581 10 0 ADAERN CCCC[C@@H]1CC(C(C)=O)=NO1 39072433 571911972 /nfs/dbraw/zinc/91/19/72/571911972.db2.gz FOEGPTGTUMVUNR-MRVPVSSYSA-N 0 0 169.224 1.911 10 0 ADAERN OC/C=C/C[C@H]1CCCS1 687678340 571911697 /nfs/dbraw/zinc/91/16/97/571911697.db2.gz LSKYVDDOLWKSTJ-CMLYIYFCSA-N 0 0 158.266 1.821 10 0 ADAERN OCC/C=C/Cc1ccco1 687678039 571911735 /nfs/dbraw/zinc/91/17/35/571911735.db2.gz QHXSXXHEUBCYKX-OWOJBTEDSA-N 0 0 152.193 1.761 10 0 ADAERN COCC/C=C\C[C@@H](C)O 212357245 571911973 /nfs/dbraw/zinc/91/19/73/571911973.db2.gz XBYNEEWKZJMKPD-TUUFMJSCSA-N 0 0 144.214 1.350 10 0 ADAERN CC[C@H](O)P(=O)(OC)OC 39237257 571911738 /nfs/dbraw/zinc/91/17/38/571911738.db2.gz MKMSJRUJLMTYGU-RXMQYKEDSA-N 0 0 168.129 1.201 10 0 ADAERN CC[C@H]1CC(=O)C(C)=C1O 39235885 571911749 /nfs/dbraw/zinc/91/17/49/571911749.db2.gz UDFNGONTGHSKKT-WDSKDSINSA-N 0 0 140.182 1.191 10 0 ADAERN COC(=O)/C(F)=C\C1CCC1 687678326 571911772 /nfs/dbraw/zinc/91/17/72/571911772.db2.gz HVJKEHKASMIPKC-FNORWQNLSA-N 0 0 158.172 1.813 10 0 ADAERN C[C@@H]1CCCC[C@H](O)C1 39234116 571911977 /nfs/dbraw/zinc/91/19/77/571911977.db2.gz BALMGFJTWKIVLD-SFYZADRCSA-N 0 0 128.215 1.948 10 0 ADAERN OC/C=C1/CCCSC1 687677914 571911932 /nfs/dbraw/zinc/91/19/32/571911932.db2.gz FOQFMQBBYYNUJG-CLTKARDFSA-N 0 0 144.239 1.432 10 0 ADAERN CC(=S)NC(=O)c1ccccc1 39233484 571911825 /nfs/dbraw/zinc/91/18/25/571911825.db2.gz WTWINWJPPUZBBV-UHFFFAOYSA-N 0 0 179.244 1.764 10 0 ADAERN C[N@@H+]1CCCC[C@H]1/C=C/CO 687678179 571911877 /nfs/dbraw/zinc/91/18/77/571911877.db2.gz JQVNDHNGIUZHFF-DNQSNQRASA-N 0 0 155.241 1.019 10 0 ADAERN CCNc1nc(C)c(C)c(C)n1 39221577 571911880 /nfs/dbraw/zinc/91/18/80/571911880.db2.gz KVCPVSOFUUXULA-UHFFFAOYSA-N 0 0 165.240 1.834 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)CC1(C)CC1 401297755 571911905 /nfs/dbraw/zinc/91/19/05/571911905.db2.gz CBBCUNHBFQCERX-SSDOTTSWSA-N 0 0 183.251 1.270 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1C[C@@H]1CO 39223938 571911929 /nfs/dbraw/zinc/91/19/29/571911929.db2.gz BMQUNCVYHJMXJR-RNFRBKRXSA-N 0 0 156.225 1.230 10 0 ADAERN Cc1ccc(C[C@@H]2CNC(=O)O2)cc1 39222414 571911781 /nfs/dbraw/zinc/91/17/81/571911781.db2.gz NDRAHPVVUIKUJJ-SNVBAGLBSA-N 0 0 191.230 1.646 10 0 ADAERN CC1(C)C=CC=C[C@@H]1O 39234007 571911795 /nfs/dbraw/zinc/91/17/95/571911795.db2.gz DLEIYTXNYQRGES-ZETCQYMHSA-N 0 0 124.183 1.500 10 0 ADAERN CC[C@@](C)(Cl)C(C)=O 39233792 571911997 /nfs/dbraw/zinc/91/19/97/571911997.db2.gz GHOXINROVKFUBQ-ZCFIWIBFSA-N 0 0 134.606 1.983 10 0 ADAERN C[C@H]1CCCCC[C@@H]1O 39236324 571912006 /nfs/dbraw/zinc/91/20/06/571912006.db2.gz CVEWSZALSLGZAU-YUMQZZPRSA-N 0 0 128.215 1.948 10 0 ADAERN O=C1[C@H]2CC[C@@H]1[C@@H]1C[C@H]21 39234125 571912060 /nfs/dbraw/zinc/91/20/60/571912060.db2.gz FIAQYTHFZJTXNY-RNGGSSJXSA-N 0 0 122.167 1.231 10 0 ADAERN CCOP(OC)OC 39222081 571912036 /nfs/dbraw/zinc/91/20/36/571912036.db2.gz QCKLYDQORUPOIR-UHFFFAOYSA-N 0 0 138.103 1.543 10 0 ADAERN COP(=O)(OC)c1ccco1 39235954 571912045 /nfs/dbraw/zinc/91/20/45/571912045.db2.gz LQVWHYWLHLKCCY-UHFFFAOYSA-N 0 0 176.108 1.391 10 0 ADAERN COCCC/C=C/CCO 687677910 571912067 /nfs/dbraw/zinc/91/20/67/571912067.db2.gz ZEWFRUNTWPJITJ-NSCUHMNNSA-N 0 0 144.214 1.352 10 0 ADAERN OCC/C=C/C[C@@H]1CCOC1 687678168 571912092 /nfs/dbraw/zinc/91/20/92/571912092.db2.gz AUGVYOWVMNEZTN-GPYPMJJRSA-N 0 0 156.225 1.352 10 0 ADAERN CC(C)N1CC(C)(C)NC1=O 39220398 571912095 /nfs/dbraw/zinc/91/20/95/571912095.db2.gz HJVPAUQMAAVPIF-UHFFFAOYSA-N 0 0 156.229 1.199 10 0 ADAERN Cc1nc2cccc(F)c2c(=O)o1 39236048 571912105 /nfs/dbraw/zinc/91/21/05/571912105.db2.gz NAUIWYYNNRTHOS-UHFFFAOYSA-N 0 0 179.150 1.636 10 0 ADAERN CCc1ccnc(CO)c1 39220429 571912136 /nfs/dbraw/zinc/91/21/36/571912136.db2.gz TVBWXHIHUAWUDO-UHFFFAOYSA-N 0 0 137.182 1.136 10 0 ADAERN C[C@@H](O)P(c1ccccc1)[C@H](C)O 39236501 571912351 /nfs/dbraw/zinc/91/23/51/571912351.db2.gz BXIIBXNTFQLUIA-PHXKMMTBSA-N 0 0 198.202 1.470 10 0 ADAERN CC(=O)n1ccc(C)c1 39220693 571912140 /nfs/dbraw/zinc/91/21/40/571912140.db2.gz NLPYGDHWVYMESV-UHFFFAOYSA-N 0 0 123.155 1.457 10 0 ADAERN O=C1CCCC2(CCC2)N1 687677905 571912175 /nfs/dbraw/zinc/91/21/75/571912175.db2.gz ZYOFJVPPUNZKAX-UHFFFAOYSA-N 0 0 139.198 1.209 10 0 ADAERN CCC1=NC(C)(C)[C@@H](C(C)=O)O1 39072572 571912196 /nfs/dbraw/zinc/91/21/96/571912196.db2.gz KGAGVXGWRNDHAD-MRVPVSSYSA-N 0 0 169.224 1.561 10 0 ADAERN CC(=O)c1n[nH]nc1-c1ccccc1 39233289 571912276 /nfs/dbraw/zinc/91/22/76/571912276.db2.gz KAHCNLFWFKTJIO-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN OC/C=C/C[C@H]1CCCCO1 687678171 571912282 /nfs/dbraw/zinc/91/22/82/571912282.db2.gz CVGWPYGYGNRVMF-ARLXTTGXSA-N 0 0 156.225 1.494 10 0 ADAERN C[C@@]([NH3+])(Cc1ccsc1)C(=O)[O-] 39236303 571913058 /nfs/dbraw/zinc/91/30/58/571913058.db2.gz LBOJWCGDYPMQCG-MRVPVSSYSA-N 0 0 185.248 1.093 10 0 ADAERN CC[C@@H]1CC(=O)C(C)=C1O 39235886 571912314 /nfs/dbraw/zinc/91/23/14/571912314.db2.gz UDFNGONTGHSKKT-PHDIDXHHSA-N 0 0 140.182 1.191 10 0 ADAERN Cc1[nH]c(C(C)(C)C)nc1C=O 39236942 571912325 /nfs/dbraw/zinc/91/23/25/571912325.db2.gz UETFVEJXNHDCPU-UHFFFAOYSA-N 0 0 166.224 1.828 10 0 ADAERN CC(=O)[C@](C)(F)Cl 39234274 571912452 /nfs/dbraw/zinc/91/24/52/571912452.db2.gz QNFSEYSCTQOKMK-BYPYZUCNSA-N 0 0 124.542 1.500 10 0 ADAERN CC[C@@H]1CC(=O)C(C)=C1O 39235884 571912359 /nfs/dbraw/zinc/91/23/59/571912359.db2.gz UDFNGONTGHSKKT-NTSWFWBYSA-N 0 0 140.182 1.191 10 0 ADAERN CN1c2ccccc2C=C[C@@H]1O 39234134 571912362 /nfs/dbraw/zinc/91/23/62/571912362.db2.gz MJNWIDIVDJFRKD-JTQLQIEISA-N 0 0 161.204 1.468 10 0 ADAERN CC[C@]1(O)C[C@H]2CC[C@@H]1C2 39234820 571912396 /nfs/dbraw/zinc/91/23/96/571912396.db2.gz AGVPWIGPOKZAON-YIZRAAEISA-N 0 0 140.226 1.948 10 0 ADAERN NN(CC1CC1)c1ccccc1 39234267 571912407 /nfs/dbraw/zinc/91/24/07/571912407.db2.gz DROUSPHOMQJWCR-UHFFFAOYSA-N 0 0 162.236 1.777 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1/C=C/CO 687678180 571912483 /nfs/dbraw/zinc/91/24/83/571912483.db2.gz JQVNDHNGIUZHFF-OTQAPUNGSA-N 0 0 155.241 1.019 10 0 ADAERN NC(=S)CCCCC(N)=S 39235824 571912596 /nfs/dbraw/zinc/91/25/96/571912596.db2.gz FBUVGICEZJFFOR-UHFFFAOYSA-N 0 0 176.310 1.119 10 0 ADAERN C[C@H](C[NH2+]C/C=C/C(=O)[O-])C(C)(C)C 235449736 571912641 /nfs/dbraw/zinc/91/26/41/571912641.db2.gz UUMKNOKWAVGDBW-VUHVRTRXSA-N 0 0 199.294 1.899 10 0 ADAERN C=Cn1ccc(C)c1 39234228 571912653 /nfs/dbraw/zinc/91/26/53/571912653.db2.gz AMLCUYDKZSIANC-UHFFFAOYSA-N 0 0 107.156 1.897 10 0 ADAERN Cc1cccc(C[C@H]2CNC(=O)O2)c1 39222412 571912663 /nfs/dbraw/zinc/91/26/63/571912663.db2.gz UDYXBLOPNGRGKW-JTQLQIEISA-N 0 0 191.230 1.646 10 0 ADAERN CC[C@H]1CC(=O)C(C)=C1O 39235887 571912694 /nfs/dbraw/zinc/91/26/94/571912694.db2.gz UDFNGONTGHSKKT-RITPCOANSA-N 0 0 140.182 1.191 10 0 ADAERN O=C([O-])C/C=C/[C@H]1CCC[NH2+]C1 687678819 571912720 /nfs/dbraw/zinc/91/27/20/571912720.db2.gz DYFXIWZZTCQRPE-LKVYWMSASA-N 0 0 169.224 1.017 10 0 ADAERN Cc1cc(C=O)c(O)cc1N(C)C 39223581 571912727 /nfs/dbraw/zinc/91/27/27/571912727.db2.gz CMFPTTXFNONIRJ-UHFFFAOYSA-N 0 0 179.219 1.579 10 0 ADAERN C/C=C/C[C@@H](O)CC 39223838 571912734 /nfs/dbraw/zinc/91/27/34/571912734.db2.gz FUTQIDIPFHFSNC-MZTFZBDOSA-N 0 0 114.188 1.724 10 0 ADAERN O=C([O-])/C=C/C[C@H]1CCCC[NH2+]1 687678935 571912741 /nfs/dbraw/zinc/91/27/41/571912741.db2.gz CCZYJLJJUDJKHR-GWSCVKMXSA-N 0 0 169.224 1.159 10 0 ADAERN COCOC(=O)C1CCCCC1 145432739 571912744 /nfs/dbraw/zinc/91/27/44/571912744.db2.gz PNMGENDLONHYJJ-UHFFFAOYSA-N 0 0 172.224 1.714 10 0 ADAERN CN1c2ccccc2C=C[C@H]1O 39234135 571912749 /nfs/dbraw/zinc/91/27/49/571912749.db2.gz MJNWIDIVDJFRKD-SNVBAGLBSA-N 0 0 161.204 1.468 10 0 ADAERN CC(C)(C)Nc1nc(=O)ccs1 39218986 571912783 /nfs/dbraw/zinc/91/27/83/571912783.db2.gz GBAGPDRHGGKXHJ-UHFFFAOYSA-N 0 0 184.264 1.714 10 0 ADAERN CN1CC2=C(CCCC2)C1=O 39220122 571912795 /nfs/dbraw/zinc/91/27/95/571912795.db2.gz ZXOXQSPKYJLPOP-UHFFFAOYSA-N 0 0 151.209 1.329 10 0 ADAERN CCCC[C@H](O)[C@@H](CC)CO 36436856 571912797 /nfs/dbraw/zinc/91/27/97/571912797.db2.gz BPOSPHPRYDVTFU-IUCAKERBSA-N 0 0 160.257 1.556 10 0 ADAERN C/C=C/C[C@H](O)CC 39223840 571912814 /nfs/dbraw/zinc/91/28/14/571912814.db2.gz FUTQIDIPFHFSNC-OHCKJTPYSA-N 0 0 114.188 1.724 10 0 ADAERN CC(C)Nc1cnnc2cccnc12 39221926 571912824 /nfs/dbraw/zinc/91/28/24/571912824.db2.gz WVQLGZNZCKNTNF-UHFFFAOYSA-N 0 0 188.234 1.845 10 0 ADAERN CC(=O)OCCCC/C=C\[C@@H](C)O 36466724 571912831 /nfs/dbraw/zinc/91/28/31/571912831.db2.gz KEQUDBWYYPMBHU-WILPJHFFSA-N 0 0 186.251 1.657 10 0 ADAERN CCCOc1nscc1N 39219990 571912856 /nfs/dbraw/zinc/91/28/56/571912856.db2.gz DFMXPNULWVOXCL-UHFFFAOYSA-N 0 0 158.226 1.514 10 0 ADAERN C[C@@H](CC1CC1)[N@H+](C)C(C)(C)C(=O)[O-] 229758499 571912882 /nfs/dbraw/zinc/91/28/82/571912882.db2.gz JAQWXXJCYTVJLC-QMMMGPOBSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1ccc2c(c1)C(=O)OCC2 39220896 571912894 /nfs/dbraw/zinc/91/28/94/571912894.db2.gz CSYMRZLCEOMBAX-UHFFFAOYSA-N 0 0 162.188 1.708 10 0 ADAERN COC(=O)[C@@]12C=C[C@@H](CC1)C2 39236734 571912899 /nfs/dbraw/zinc/91/28/99/571912899.db2.gz RNWDNEVYZAPIBG-CBAPKCEASA-N 0 0 152.193 1.516 10 0 ADAERN CCCc1nc(C)c(CO)[nH]1 39236933 571912903 /nfs/dbraw/zinc/91/29/03/571912903.db2.gz RZHVENCMBIPGNJ-UHFFFAOYSA-N 0 0 154.213 1.163 10 0 ADAERN C/C(=C/C[NH2+]C[C@@H](C)C1CC1)C(=O)[O-] 235449595 571912909 /nfs/dbraw/zinc/91/29/09/571912909.db2.gz GJGLSRLGOLULTR-BZJXQOFCSA-N 0 0 197.278 1.653 10 0 ADAERN Cc1cc(=O)n2nc(C(C)C)[n-]c2n1 9605966 571912914 /nfs/dbraw/zinc/91/29/14/571912914.db2.gz WCBJYRWGIUTUDN-UHFFFAOYSA-N 0 0 192.222 1.262 10 0 ADAERN C[C@@H]1CCCC[C@@H](O)C1 39234118 571912931 /nfs/dbraw/zinc/91/29/31/571912931.db2.gz BALMGFJTWKIVLD-HTQZYQBOSA-N 0 0 128.215 1.948 10 0 ADAERN COC(=O)c1ccc(SC)cc1O 39225795 571912934 /nfs/dbraw/zinc/91/29/34/571912934.db2.gz DVTOGCSCXCSZCD-UHFFFAOYSA-N 0 0 198.243 1.901 10 0 ADAERN [NH3+]C/C=C\c1ccc(O)cc1F 687678746 571912947 /nfs/dbraw/zinc/91/29/47/571912947.db2.gz QRNSWZVIGZAGHZ-UPHRSURJSA-N 0 0 167.183 1.503 10 0 ADAERN C[C@H](O)C1(C)SCCCS1 39234866 571912963 /nfs/dbraw/zinc/91/29/63/571912963.db2.gz QZZQCERSJUGENM-LURJTMIESA-N 0 0 178.322 1.954 10 0 ADAERN CCC1=C(CC)C1CO 39224634 571912966 /nfs/dbraw/zinc/91/29/66/571912966.db2.gz UZIMZZAVKRPBCM-UHFFFAOYSA-N 0 0 126.199 1.725 10 0 ADAERN OCC/C=C\CO[C@H]1CCCCO1 36448351 571912991 /nfs/dbraw/zinc/91/29/91/571912991.db2.gz NAKOMQZQWQNYLH-GAGJOLBNSA-N 0 0 186.251 1.468 10 0 ADAERN NC(=O)N1CCCCc2cccnc21 39233664 571913017 /nfs/dbraw/zinc/91/30/17/571913017.db2.gz NYIVAQCYNVBYPQ-UHFFFAOYSA-N 0 0 191.234 1.303 10 0 ADAERN CC(C)(C)C(=O)[C@H]1C[C@@H]1CO 39223940 571913025 /nfs/dbraw/zinc/91/30/25/571913025.db2.gz BMQUNCVYHJMXJR-RQJHMYQMSA-N 0 0 156.225 1.230 10 0 ADAERN COC(=O)/C=C/Cc1ccco1 687678567 571913075 /nfs/dbraw/zinc/91/30/75/571913075.db2.gz ZBYWPSZZSAZIJK-QHHAFSJGSA-N 0 0 166.176 1.551 10 0 ADAERN OCC/C=C\CO[C@@H]1CCCCO1 36448350 571913093 /nfs/dbraw/zinc/91/30/93/571913093.db2.gz NAKOMQZQWQNYLH-GZXOQBQISA-N 0 0 186.251 1.468 10 0 ADAERN C[C@@H]1CCCCCN1[S@](C)(=N)=O 404557929 571913102 /nfs/dbraw/zinc/91/31/02/571913102.db2.gz SGAXTNTVTSHWCC-PELKAZGASA-N 0 0 190.312 1.842 10 0 ADAERN C[C@@H](O)P(c1ccccc1)[C@@H](C)O 39236500 571913118 /nfs/dbraw/zinc/91/31/18/571913118.db2.gz BXIIBXNTFQLUIA-IUCAKERBSA-N 0 0 198.202 1.470 10 0 ADAERN OCC/C=C/c1cccc(O)c1 687678572 571913176 /nfs/dbraw/zinc/91/31/76/571913176.db2.gz GNLQPKZWNLZILK-DAFODLJHSA-N 0 0 164.204 1.788 10 0 ADAERN CCC1=NC(C)(C)[C@H](C(C)=O)O1 39072570 571913194 /nfs/dbraw/zinc/91/31/94/571913194.db2.gz KGAGVXGWRNDHAD-QMMMGPOBSA-N 0 0 169.224 1.561 10 0 ADAERN Cc1nc(C(C)(C)C)[nH]c1CO 39236938 571913233 /nfs/dbraw/zinc/91/32/33/571913233.db2.gz SQQVWKXBKXSCEC-UHFFFAOYSA-N 0 0 168.240 1.508 10 0 ADAERN CCC(=O)C[C@H](C)C(C)=O 39218464 571913239 /nfs/dbraw/zinc/91/32/39/571913239.db2.gz HOJASNKTWKWRHK-LURJTMIESA-N 0 0 142.198 1.581 10 0 ADAERN CC1(C)C=CC=C[C@H]1O 39234008 571913256 /nfs/dbraw/zinc/91/32/56/571913256.db2.gz DLEIYTXNYQRGES-SSDOTTSWSA-N 0 0 124.183 1.500 10 0 ADAERN Cc1scc2[nH]c(=O)[nH]c12 39234042 571913273 /nfs/dbraw/zinc/91/32/73/571913273.db2.gz RDUVQSDXUCUBDW-UHFFFAOYSA-N 0 0 154.194 1.226 10 0 ADAERN O=C1[C@@H]2C=C[C@H]1[C@H]1CC[C@@H]21 39234124 571913277 /nfs/dbraw/zinc/91/32/77/571913277.db2.gz FWXIAMDZEAXUMU-KVFPUHGPSA-N 0 0 134.178 1.398 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1O 39236323 571913295 /nfs/dbraw/zinc/91/32/95/571913295.db2.gz CVEWSZALSLGZAU-SFYZADRCSA-N 0 0 128.215 1.948 10 0 ADAERN CC12CCC(CC1)C(=O)[C@@H]2O 687729022 571913297 /nfs/dbraw/zinc/91/32/97/571913297.db2.gz KHPUMBJFQFTJBA-XNGKIHLYSA-N 0 0 154.209 1.127 10 0 ADAERN CCC(=O)[C@@H](C)COC 39234631 571913365 /nfs/dbraw/zinc/91/33/65/571913365.db2.gz PKJAGYRKUYKEAH-LURJTMIESA-N 0 0 130.187 1.248 10 0 ADAERN C[C@H]1CCCC[C@@H](O)C1 39234119 571913389 /nfs/dbraw/zinc/91/33/89/571913389.db2.gz BALMGFJTWKIVLD-JGVFFNPUSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]C[C@@H]1CC1(C)C 235448187 571913397 /nfs/dbraw/zinc/91/33/97/571913397.db2.gz KIKHOXHQSKIDJX-BDAKNGLRSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](C[NH2+]C(C)(C)C1CC1)C(=O)[O-] 235448657 571913445 /nfs/dbraw/zinc/91/34/45/571913445.db2.gz DXWXUOKMEFOEER-SSDOTTSWSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1ccc(C[C@H]2CNC(=O)O2)cc1 39222415 571913566 /nfs/dbraw/zinc/91/35/66/571913566.db2.gz NDRAHPVVUIKUJJ-JTQLQIEISA-N 0 0 191.230 1.646 10 0 ADAERN O=c1c2c1CCCCC2 39224638 571913502 /nfs/dbraw/zinc/91/35/02/571913502.db2.gz WHPXZDFHGZOFOO-UHFFFAOYSA-N 0 0 122.167 1.191 10 0 ADAERN C[C@@H](O)C1(C)SCCCS1 39234867 571913512 /nfs/dbraw/zinc/91/35/12/571913512.db2.gz QZZQCERSJUGENM-ZCFIWIBFSA-N 0 0 178.322 1.954 10 0 ADAERN CCCCC(=O)[C@@H](C)CC(=O)OC 39233368 571913570 /nfs/dbraw/zinc/91/35/70/571913570.db2.gz LMFZFRDAXXBECB-QMMMGPOBSA-N 0 0 186.251 1.945 10 0 ADAERN C/C(=C\CO)c1ccc(O)cc1 687678524 571913579 /nfs/dbraw/zinc/91/35/79/571913579.db2.gz VGGILADSXCBBHY-SOFGYWHQSA-N 0 0 164.204 1.788 10 0 ADAERN Cc1ccc2c(c1)N(N)CCC2 39222530 571913581 /nfs/dbraw/zinc/91/35/81/571913581.db2.gz UWQRHXYJFVDWLG-UHFFFAOYSA-N 0 0 162.236 1.621 10 0 ADAERN CNC(=O)C1=C(C)c2ccccc2C1 39225784 571913584 /nfs/dbraw/zinc/91/35/84/571913584.db2.gz QNOQBGXPARANEW-UHFFFAOYSA-N 0 0 187.242 1.762 10 0 ADAERN Cc1ncccc1-c1c[nH]cn1 39224247 571913589 /nfs/dbraw/zinc/91/35/89/571913589.db2.gz CKISKCGITCDOLJ-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN C[C@@]1(Cl)C[C@@H]2C[C@@H]2C[C@H]1O 39238428 571913606 /nfs/dbraw/zinc/91/36/06/571913606.db2.gz SNFJCSVIHICANL-ULAWRXDQSA-N 0 0 160.644 1.775 10 0 ADAERN [NH3+]C/C=C\c1ccc(O)c(F)c1 687678748 571913957 /nfs/dbraw/zinc/91/39/57/571913957.db2.gz RTRGRKPQYBQEID-UPHRSURJSA-N 0 0 167.183 1.503 10 0 ADAERN CCC(=O)[C@@H](C)[NH+](CC)CC 36455791 571913774 /nfs/dbraw/zinc/91/37/74/571913774.db2.gz SHJAGINDLPCNSP-MRVPVSSYSA-N 0 0 157.257 1.696 10 0 ADAERN [NH2+]=C(NO)NCCCC1CCC1 711189701 571913870 /nfs/dbraw/zinc/91/38/70/571913870.db2.gz BIAMQTGVMCVGQZ-UHFFFAOYSA-N 0 0 171.244 1.070 10 0 ADAERN CO[C@@H](C)C[C@@]1(CO)CCCOC1 234731561 571913875 /nfs/dbraw/zinc/91/38/75/571913875.db2.gz ZMCOWYNOOXMSLU-VHSXEESVSA-N 0 0 188.267 1.201 10 0 ADAERN CSC[C@@H](C)n1cnc(CO)c1 300771057 571913899 /nfs/dbraw/zinc/91/38/99/571913899.db2.gz ZUFSUABPKKBXQS-SSDOTTSWSA-N 0 0 186.280 1.299 10 0 ADAERN CC(C)c1csnn1 39241501 571913903 /nfs/dbraw/zinc/91/39/03/571913903.db2.gz PBWYAWUCDLKCCJ-UHFFFAOYSA-N 0 0 128.200 1.662 10 0 ADAERN CCC(=O)[C@@H](C)F 39245020 571913925 /nfs/dbraw/zinc/91/39/25/571913925.db2.gz WVKQNTDRGRRVGF-SCSAIBSYSA-N 0 0 104.124 1.324 10 0 ADAERN C[C@H]1Oc2ccc(C=O)cc2O1 39246204 571913980 /nfs/dbraw/zinc/91/39/80/571913980.db2.gz SUFIVVBCZOCLFF-LURJTMIESA-N 0 0 164.160 1.616 10 0 ADAERN c1nc2ncc3c(n2n1)CCCC3 39249846 571913984 /nfs/dbraw/zinc/91/39/84/571913984.db2.gz BQDVQELWDYSNLH-UHFFFAOYSA-N 0 0 174.207 1.003 10 0 ADAERN Cc1ncc(CF)c(CO)c1O 39240007 571913988 /nfs/dbraw/zinc/91/39/88/571913988.db2.gz MKXYGZKNRWRDJQ-UHFFFAOYSA-N 0 0 171.171 1.057 10 0 ADAERN CSC1=N[C@H](C)[C@H](C(C)=O)O1 39241752 571914038 /nfs/dbraw/zinc/91/40/38/571914038.db2.gz ZSNJHSJPACDDOU-INEUFUBQSA-N 0 0 173.237 1.082 10 0 ADAERN CC(C)(C)[NH2+]C/C=C\C(=O)[O-] 393337917 571914052 /nfs/dbraw/zinc/91/40/52/571914052.db2.gz ZJFLPHSJNXXYEP-PLNGDYQASA-N 0 0 157.213 1.015 10 0 ADAERN CC(=O)Nc1ccnnc1Cl 9691225 571914088 /nfs/dbraw/zinc/91/40/88/571914088.db2.gz XRHUHQABTOLABG-UHFFFAOYSA-N 0 0 171.587 1.088 10 0 ADAERN C[N@@H+]1CCCC[C@H]1/C=C/C(=O)[O-] 687678956 571914110 /nfs/dbraw/zinc/91/41/10/571914110.db2.gz QBMVFABZIRONOC-GJIOHYHPSA-N 0 0 169.224 1.112 10 0 ADAERN CC(=O)OC[C@@H](/C=C/C(C)C)CO 36448352 571914118 /nfs/dbraw/zinc/91/41/18/571914118.db2.gz YHTFPDPIIMMIBU-YEZKRMTDSA-N 0 0 186.251 1.370 10 0 ADAERN O=C1CC[C@@H]2C=CC[C@@H]12 39243544 571914122 /nfs/dbraw/zinc/91/41/22/571914122.db2.gz BTDXLOZJMXSYRM-NKWVEPMBSA-N 0 0 122.167 1.542 10 0 ADAERN C[C@H](CO)COC(C)(C)C 39243966 571914154 /nfs/dbraw/zinc/91/41/54/571914154.db2.gz AARKSKPTFDLLAS-SSDOTTSWSA-N 0 0 146.230 1.430 10 0 ADAERN CC1=C[C@@H](CO)S[C@H]1C 39250718 571914161 /nfs/dbraw/zinc/91/41/61/571914161.db2.gz CVRIPXGWFRAMJL-BQBZGAKWSA-N 0 0 144.239 1.429 10 0 ADAERN CC[C@H](O)CCCCOC 39249131 571914192 /nfs/dbraw/zinc/91/41/92/571914192.db2.gz KSGPIIIIHCDOJN-QMMMGPOBSA-N 0 0 146.230 1.574 10 0 ADAERN C[C@H](C[NH2+]C/C=C/C(=O)[O-])C1CC1 235449755 571914262 /nfs/dbraw/zinc/91/42/62/571914262.db2.gz BNLWZARNHSKLDS-UFUPEUMYSA-N 0 0 183.251 1.263 10 0 ADAERN CCCCCC(=O)OCOC 36466329 571914265 /nfs/dbraw/zinc/91/42/65/571914265.db2.gz QSQIBCNRWBOIRO-UHFFFAOYSA-N 0 0 160.213 1.714 10 0 ADAERN OC1C[C@@H]2CCCC[C@H]2C1 39244032 571914275 /nfs/dbraw/zinc/91/42/75/571914275.db2.gz FNTAZLZSKBIIIW-YUMQZZPRSA-N 0 0 140.226 1.948 10 0 ADAERN O[C@H]1C2C=CC1(Br)C=C2 39246992 571914303 /nfs/dbraw/zinc/91/43/03/571914303.db2.gz YZZDWQBOGVIALE-HUDPQJTASA-N 0 0 187.036 1.237 10 0 ADAERN O=C1CC[C@@H]2C=CC[C@H]12 39243543 571914313 /nfs/dbraw/zinc/91/43/13/571914313.db2.gz BTDXLOZJMXSYRM-BQBZGAKWSA-N 0 0 122.167 1.542 10 0 ADAERN OCC/C=C/[C@@H]1CCCS1 687678360 571914319 /nfs/dbraw/zinc/91/43/19/571914319.db2.gz PNWNSMGQVQLYSE-YKXFLQSUSA-N 0 0 158.266 1.821 10 0 ADAERN O=C1C[C@H]2C=CC=C[C@@H]1C2 39240202 571914330 /nfs/dbraw/zinc/91/43/30/571914330.db2.gz OHGUSRCMGCRNKC-JGVFFNPUSA-N 0 0 134.178 1.708 10 0 ADAERN CSC1=N[C@@H](C)[C@@H](C(C)=O)O1 39241755 571914345 /nfs/dbraw/zinc/91/43/45/571914345.db2.gz ZSNJHSJPACDDOU-NJGYIYPDSA-N 0 0 173.237 1.082 10 0 ADAERN O[C@H]1C[C@H](O)Cc2ccccc21 39246965 571914348 /nfs/dbraw/zinc/91/43/48/571914348.db2.gz HVCIHTJTCNLLNU-SCZZXKLOSA-N 0 0 164.204 1.027 10 0 ADAERN COc1ccc2c(c1C)COC2=O 39249346 571914356 /nfs/dbraw/zinc/91/43/56/571914356.db2.gz SVKDHLORCWJCIG-UHFFFAOYSA-N 0 0 178.187 1.674 10 0 ADAERN CCOc1ncccc1[C@@H](C)O 39240387 571914382 /nfs/dbraw/zinc/91/43/82/571914382.db2.gz OYMVRWYEXFCVFI-SSDOTTSWSA-N 0 0 167.208 1.534 10 0 ADAERN C[C@H]1CN(Cc2ccccc2)C1=O 39242094 571914405 /nfs/dbraw/zinc/91/44/05/571914405.db2.gz WHBFFDCZNLZMCI-VIFPVBQESA-N 0 0 175.231 1.665 10 0 ADAERN CN1CNc2ccccc2C1=O 39247844 571914412 /nfs/dbraw/zinc/91/44/12/571914412.db2.gz DCYFTPYSKMREAZ-UHFFFAOYSA-N 0 0 162.192 1.142 10 0 ADAERN C[C@H]1Cc2ccccc(=O)c2O1 39249888 571914416 /nfs/dbraw/zinc/91/44/16/571914416.db2.gz IKVWFCBSNJVHMN-ZETCQYMHSA-N 0 0 162.188 1.370 10 0 ADAERN CCCCCNC#N 39246354 571914420 /nfs/dbraw/zinc/91/44/20/571914420.db2.gz WGJFJIVTTOXFHT-UHFFFAOYSA-N 0 0 112.176 1.247 10 0 ADAERN COC(=O)/C(C)=C/Cl 39250410 571914427 /nfs/dbraw/zinc/91/44/27/571914427.db2.gz MJFYKGUKOYPESV-ONEGZZNKSA-N 0 0 134.562 1.302 10 0 ADAERN O=C([O-])/C=C/C[C@@H]1CCCC[NH2+]1 687678936 571914459 /nfs/dbraw/zinc/91/44/59/571914459.db2.gz CCZYJLJJUDJKHR-HFSLJOEWSA-N 0 0 169.224 1.159 10 0 ADAERN CO[C@@H](C)C[C@H](NN)C1=CCCCC1 234733691 571914489 /nfs/dbraw/zinc/91/44/89/571914489.db2.gz XXPKQMREMNVYEJ-ONGXEEELSA-N 0 0 198.310 1.744 10 0 ADAERN O=C([O-])C/C=C/C[C@@H]1CC[NH2+]C1 687678818 571914492 /nfs/dbraw/zinc/91/44/92/571914492.db2.gz APHNTTQIUPUOJL-FHKCNRDCSA-N 0 0 169.224 1.017 10 0 ADAERN COc1ccccc(=O)c1OC 39246571 571914521 /nfs/dbraw/zinc/91/45/21/571914521.db2.gz UTNTZTZZPXTIKQ-UHFFFAOYSA-N 0 0 166.176 1.064 10 0 ADAERN Cc1cc(C)n(-c2cccnn2)n1 39247084 571914559 /nfs/dbraw/zinc/91/45/59/571914559.db2.gz JKOBWSCDURYEPB-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CC[C@@H](C)C(=S)NC 39247821 571914561 /nfs/dbraw/zinc/91/45/61/571914561.db2.gz YUERFGBFPSJDKV-RXMQYKEDSA-N 0 0 131.244 1.579 10 0 ADAERN O[C@H]1Cc2ccccc2[C@H](O)C1 39246966 571914565 /nfs/dbraw/zinc/91/45/65/571914565.db2.gz HVCIHTJTCNLLNU-WCBMZHEXSA-N 0 0 164.204 1.027 10 0 ADAERN O=C([O-])/C=C/C[C@H]1CCC[NH2+]C1 687678960 571914568 /nfs/dbraw/zinc/91/45/68/571914568.db2.gz RGKFAJNQZCWFQZ-GINQSWSWSA-N 0 0 169.224 1.017 10 0 ADAERN COCCn1cc[nH+]c1NC1CC1 234733395 571914581 /nfs/dbraw/zinc/91/45/81/571914581.db2.gz RVEGBYPUZRRWPW-UHFFFAOYSA-N 0 0 181.239 1.104 10 0 ADAERN CCCC(=O)[C@H](O)CC 39246851 571914596 /nfs/dbraw/zinc/91/45/96/571914596.db2.gz FYSSRTGEQSUBCY-ZCFIWIBFSA-N 0 0 130.187 1.127 10 0 ADAERN CCC(=O)[C@H](C)[NH+](CC)CC 36455792 571914597 /nfs/dbraw/zinc/91/45/97/571914597.db2.gz SHJAGINDLPCNSP-QMMMGPOBSA-N 0 0 157.257 1.696 10 0 ADAERN CC1=C[C@@H](CO)SC1 39250710 571914603 /nfs/dbraw/zinc/91/46/03/571914603.db2.gz UQLFPBAXIQHGRA-LURJTMIESA-N 0 0 130.212 1.040 10 0 ADAERN CSC1=N[C@H](C)[C@@H](C(C)=O)O1 39241754 571914608 /nfs/dbraw/zinc/91/46/08/571914608.db2.gz ZSNJHSJPACDDOU-XINAWCOVSA-N 0 0 173.237 1.082 10 0 ADAERN COc1c(C(C)=O)ccccc1=O 39242421 571914612 /nfs/dbraw/zinc/91/46/12/571914612.db2.gz PFEUMSUIASZNIJ-UHFFFAOYSA-N 0 0 178.187 1.258 10 0 ADAERN OCCCC1(O)CCCC1 39241879 571915320 /nfs/dbraw/zinc/91/53/20/571915320.db2.gz CWMQKYRQDSQHFB-UHFFFAOYSA-N 0 0 144.214 1.064 10 0 ADAERN CC[N@@H+]1CCC[C@H]1/C=C/C(=O)[O-] 687678937 571914850 /nfs/dbraw/zinc/91/48/50/571914850.db2.gz DROBPDBZENERER-GJIOHYHPSA-N 0 0 169.224 1.112 10 0 ADAERN CCSC1=NC[C@@H](C(C)=O)O1 39250574 571914851 /nfs/dbraw/zinc/91/48/51/571914851.db2.gz HKPGMAZJTDQFRJ-LURJTMIESA-N 0 0 173.237 1.083 10 0 ADAERN CC1=C[C@H](CO)S[C@@H]1C 39250715 571914692 /nfs/dbraw/zinc/91/46/92/571914692.db2.gz CVRIPXGWFRAMJL-RNFRBKRXSA-N 0 0 144.239 1.429 10 0 ADAERN COc1cccc2ccc[n+]([O-])c12 39246054 571914730 /nfs/dbraw/zinc/91/47/30/571914730.db2.gz KBMHGSUKODRTDH-UHFFFAOYSA-N 0 0 175.187 1.482 10 0 ADAERN [NH3+]C/C=C\c1cccc(F)c1O 687678744 571914723 /nfs/dbraw/zinc/91/47/23/571914723.db2.gz JIGIQDMGNDOETJ-RQOWECAXSA-N 0 0 167.183 1.503 10 0 ADAERN O=C([O-])/C=C/C[C@@H]1CCC[NH2+]C1 687678961 571914657 /nfs/dbraw/zinc/91/46/57/571914657.db2.gz RGKFAJNQZCWFQZ-VRFQNRHZSA-N 0 0 169.224 1.017 10 0 ADAERN COCC1C=CC=C1 39245257 571914742 /nfs/dbraw/zinc/91/47/42/571914742.db2.gz RIFOWKSBHNPXRM-UHFFFAOYSA-N 0 0 110.156 1.375 10 0 ADAERN OCC/C=C/[C@H]1CCCS1 687678359 571914746 /nfs/dbraw/zinc/91/47/46/571914746.db2.gz PNWNSMGQVQLYSE-WTJMVXMFSA-N 0 0 158.266 1.821 10 0 ADAERN ONC1C2CC3CC(C2)CC1C3 39244206 571914749 /nfs/dbraw/zinc/91/47/49/571914749.db2.gz VAWWVWMWXBXNCV-UHFFFAOYSA-N 0 0 167.252 1.790 10 0 ADAERN Oc1cc(Cl)cc2c1OCCO2 39249435 571914855 /nfs/dbraw/zinc/91/48/55/571914855.db2.gz PAFVOQQFUJMVTI-UHFFFAOYSA-N 0 0 186.594 1.817 10 0 ADAERN COc1ccccc(C(C)=O)c1=O 39242422 571914765 /nfs/dbraw/zinc/91/47/65/571914765.db2.gz JPUQAWFREITBIY-UHFFFAOYSA-N 0 0 178.187 1.258 10 0 ADAERN CC1=C[C@H](CO)S[C@H]1C 39250716 571914768 /nfs/dbraw/zinc/91/47/68/571914768.db2.gz CVRIPXGWFRAMJL-NKWVEPMBSA-N 0 0 144.239 1.429 10 0 ADAERN CNN(C)C(=S)Nc1ccccc1 39244127 571914771 /nfs/dbraw/zinc/91/47/71/571914771.db2.gz PUKSQVBEVNCDBQ-UHFFFAOYSA-N 0 0 195.291 1.450 10 0 ADAERN C[C@H]1C=C[C@H](CO)S1 39250712 571914782 /nfs/dbraw/zinc/91/47/82/571914782.db2.gz NRMWAHJFKZYJJF-NTSWFWBYSA-N 0 0 130.212 1.039 10 0 ADAERN CCOc1cscc1NC=O 39241156 571914786 /nfs/dbraw/zinc/91/47/86/571914786.db2.gz MCDOEEQXLQAAOH-UHFFFAOYSA-N 0 0 171.221 1.715 10 0 ADAERN COCC/C=C/CC(=O)OC 687678324 571914789 /nfs/dbraw/zinc/91/47/89/571914789.db2.gz XPKSHJVTTHSUDS-ONEGZZNKSA-N 0 0 158.197 1.142 10 0 ADAERN C[C@@H]1Oc2ccc(C=O)cc2O1 39246202 571914803 /nfs/dbraw/zinc/91/48/03/571914803.db2.gz SUFIVVBCZOCLFF-ZCFIWIBFSA-N 0 0 164.160 1.616 10 0 ADAERN CSC1=NC(C)(C)CN=N1 39238694 571914805 /nfs/dbraw/zinc/91/48/05/571914805.db2.gz GQDUEASJBWTQSY-UHFFFAOYSA-N 0 0 157.242 1.073 10 0 ADAERN O[C@H]1Cc2ccccc2[C@@H](O)C1 39246964 571914812 /nfs/dbraw/zinc/91/48/12/571914812.db2.gz HVCIHTJTCNLLNU-WPRPVWTQSA-N 0 0 164.204 1.027 10 0 ADAERN O=C1CSCCc2ccccc2N1 39241187 571914827 /nfs/dbraw/zinc/91/48/27/571914827.db2.gz PYWIGVPTXIGRFA-UHFFFAOYSA-N 0 0 193.271 1.914 10 0 ADAERN CCCC(=O)[C@@H](O)CC 39246852 571914859 /nfs/dbraw/zinc/91/48/59/571914859.db2.gz FYSSRTGEQSUBCY-LURJTMIESA-N 0 0 130.187 1.127 10 0 ADAERN COC[C@H](C)[C@@H]1[C@H](CO)C1(C)C 300772664 571914875 /nfs/dbraw/zinc/91/48/75/571914875.db2.gz QUYLKZREXQCBPF-XHNCKOQMSA-N 0 0 172.268 1.533 10 0 ADAERN c1c[nH]c(-c2nncs2)c1 39250613 571914881 /nfs/dbraw/zinc/91/48/81/571914881.db2.gz JRWVZJFYWJPHTB-UHFFFAOYSA-N 0 0 151.194 1.533 10 0 ADAERN [NH3+]C/C=C\c1ccc(F)cc1O 687678747 571914885 /nfs/dbraw/zinc/91/48/85/571914885.db2.gz RBEIMNJWSZCWIC-UPHRSURJSA-N 0 0 167.183 1.503 10 0 ADAERN CC1=C[C@H](CO)SC1 39250709 571914892 /nfs/dbraw/zinc/91/48/92/571914892.db2.gz UQLFPBAXIQHGRA-ZCFIWIBFSA-N 0 0 130.212 1.040 10 0 ADAERN OC1C[C@H]2CCCC[C@@H]2C1 39244033 571914895 /nfs/dbraw/zinc/91/48/95/571914895.db2.gz FNTAZLZSKBIIIW-HTQZYQBOSA-N 0 0 140.226 1.948 10 0 ADAERN CC(=O)c1ccc2o[nH]c(=O)c2c1 39243627 571914905 /nfs/dbraw/zinc/91/49/05/571914905.db2.gz KMDKYLPAYBJGAN-UHFFFAOYSA-N 0 0 177.159 1.736 10 0 ADAERN C[N@@H+]1CCC[C@H]1C/C=C/C(=O)[O-] 687678933 571914906 /nfs/dbraw/zinc/91/49/06/571914906.db2.gz CCRFXKLGXANIMQ-FSKCJDSRSA-N 0 0 169.224 1.112 10 0 ADAERN CCCCOC(=S)NCC 39244695 571914940 /nfs/dbraw/zinc/91/49/40/571914940.db2.gz KUWUWSIBNWSGDT-UHFFFAOYSA-N 0 0 161.270 1.698 10 0 ADAERN CSc1nc(C)c(CCO)s1 39244246 571914966 /nfs/dbraw/zinc/91/49/66/571914966.db2.gz WUZKBKGVNGMNNV-UHFFFAOYSA-N 0 0 189.305 1.708 10 0 ADAERN CCn1nncc1[C@@H]([NH2+]C)C1(C)CC1 300773768 571915012 /nfs/dbraw/zinc/91/50/12/571915012.db2.gz AFBSEPBKBQFSFE-SECBINFHSA-N 0 0 194.282 1.359 10 0 ADAERN C[N@@H+]1CCC[C@@H]1C/C=C/C(=O)[O-] 687678934 571915015 /nfs/dbraw/zinc/91/50/15/571915015.db2.gz CCRFXKLGXANIMQ-HYTREOMXSA-N 0 0 169.224 1.112 10 0 ADAERN CSC1=N[C@@H](C)[C@H](C(C)=O)O1 39241753 571915073 /nfs/dbraw/zinc/91/50/73/571915073.db2.gz ZSNJHSJPACDDOU-UJURSFKZSA-N 0 0 173.237 1.082 10 0 ADAERN O=C([O-])C/C=C/[C@@H]1CCC[NH2+]C1 687678820 571915116 /nfs/dbraw/zinc/91/51/16/571915116.db2.gz DYFXIWZZTCQRPE-YUQHSTNDSA-N 0 0 169.224 1.017 10 0 ADAERN Cc1ccc2c(=O)c(C)c(C)[nH]c2n1 39242171 571915139 /nfs/dbraw/zinc/91/51/39/571915139.db2.gz KBHBJWIIAOLIAG-UHFFFAOYSA-N 0 0 188.230 1.848 10 0 ADAERN CCC(=O)[C@H](C)F 39245021 571915147 /nfs/dbraw/zinc/91/51/47/571915147.db2.gz WVKQNTDRGRRVGF-BYPYZUCNSA-N 0 0 104.124 1.324 10 0 ADAERN CCc1ccnc([C@@H](C)O)c1 139354033 571918158 /nfs/dbraw/zinc/91/81/58/571918158.db2.gz ZZSWTGJJIOKFCJ-SSDOTTSWSA-N 0 0 151.209 1.697 10 0 ADAERN O=C1CC[C@H]2C=CC[C@@H]12 39243542 571915159 /nfs/dbraw/zinc/91/51/59/571915159.db2.gz BTDXLOZJMXSYRM-RNFRBKRXSA-N 0 0 122.167 1.542 10 0 ADAERN O=C([O-])C/C=C/C[C@H]1CC[NH2+]C1 687678817 571915171 /nfs/dbraw/zinc/91/51/71/571915171.db2.gz APHNTTQIUPUOJL-CMLYIYFCSA-N 0 0 169.224 1.017 10 0 ADAERN O[C@@H]1C2C=CC1(Br)C=C2 39246993 571915178 /nfs/dbraw/zinc/91/51/78/571915178.db2.gz YZZDWQBOGVIALE-YURFNIAASA-N 0 0 187.036 1.237 10 0 ADAERN C[C@H](F)CNC(=O)c1ccccc1 39245147 571915186 /nfs/dbraw/zinc/91/51/86/571915186.db2.gz FXORVHSQOBNQOS-QMMMGPOBSA-N 0 0 181.210 1.774 10 0 ADAERN Clc1ccc(OC2COC2)nc1 165603705 571915188 /nfs/dbraw/zinc/91/51/88/571915188.db2.gz MVNXPGNLSKEGME-UHFFFAOYSA-N 0 0 185.610 1.513 10 0 ADAERN COC(=O)[C@]1(C)CCCC(=O)C1 39249183 571915200 /nfs/dbraw/zinc/91/52/00/571915200.db2.gz PQCUJZSLGBLOSS-SECBINFHSA-N 0 0 170.208 1.309 10 0 ADAERN C[C@H](O)/C=C/C=C\Cl 36419639 571915204 /nfs/dbraw/zinc/91/52/04/571915204.db2.gz BQQDTXIPODYAJB-COJWLTLISA-N 0 0 132.590 1.676 10 0 ADAERN CC(C)(C)C(=O)CC1(O)CCC1 39241887 571915207 /nfs/dbraw/zinc/91/52/07/571915207.db2.gz WCOUQSIZRJSOLY-UHFFFAOYSA-N 0 0 170.252 1.907 10 0 ADAERN OCc1ccccc1C1(O)CCCC1 39241885 571915220 /nfs/dbraw/zinc/91/52/20/571915220.db2.gz GOBXMDHEYMTRHZ-UHFFFAOYSA-N 0 0 192.258 1.941 10 0 ADAERN Cc1cnc2oc(C)nc2c1 39242566 571915222 /nfs/dbraw/zinc/91/52/22/571915222.db2.gz ZHIYOFARTPNEEN-UHFFFAOYSA-N 0 0 148.165 1.840 10 0 ADAERN CCCCN1CCOC1 39250724 571915226 /nfs/dbraw/zinc/91/52/26/571915226.db2.gz LJMBYOFLHIOEGO-UHFFFAOYSA-N 0 0 129.203 1.076 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)[O-])[N@@H+]1C1CCCCC1 39258622 571916604 /nfs/dbraw/zinc/91/66/04/571916604.db2.gz FRKCLYKQGDSXFH-SCZZXKLOSA-N 0 0 197.278 1.867 10 0 ADAERN CCP([C@@H](C)O)[C@@H](C)O 39240285 571915232 /nfs/dbraw/zinc/91/52/32/571915232.db2.gz WYDHCCLKTILLCE-WDSKDSINSA-N 0 0 150.158 1.165 10 0 ADAERN O=c1[nH]c(O)ccc1-c1ccccc1 39242543 571915237 /nfs/dbraw/zinc/91/52/37/571915237.db2.gz JTXRCERIDLOGDK-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN CCC[C@@H](OC)C(=O)[C@@H]1CCOC1 131883579 571915259 /nfs/dbraw/zinc/91/52/59/571915259.db2.gz BNLHBDBDHHVIAA-RKDXNWHRSA-N 0 0 186.251 1.407 10 0 ADAERN COc1cc(OC=O)cc(OC)c1C 118785705 571915277 /nfs/dbraw/zinc/91/52/77/571915277.db2.gz MYCAOHQYISWJJT-UHFFFAOYSA-N 0 0 196.202 1.547 10 0 ADAERN C[C@]12Oc3ccccc3C(=O)[C@H]1O2 39250600 571915287 /nfs/dbraw/zinc/91/52/87/571915287.db2.gz MOWDFVQLEFYJLP-NXEZZACHSA-N 0 0 176.171 1.377 10 0 ADAERN CCOC(=O)NC(C)=S 39240801 571915301 /nfs/dbraw/zinc/91/53/01/571915301.db2.gz VPOVUHDFALRUJH-UHFFFAOYSA-N 0 0 147.199 1.080 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1/C=C/C(=O)[O-] 687678957 571915334 /nfs/dbraw/zinc/91/53/34/571915334.db2.gz QBMVFABZIRONOC-HQZHTGGTSA-N 0 0 169.224 1.112 10 0 ADAERN COCCn1cc[nH+]c1NC1CCC1 234733556 571915341 /nfs/dbraw/zinc/91/53/41/571915341.db2.gz TWELYXRBDNGXKR-UHFFFAOYSA-N 0 0 195.266 1.494 10 0 ADAERN CCP([C@H](C)O)[C@H](C)O 39240287 571915355 /nfs/dbraw/zinc/91/53/55/571915355.db2.gz WYDHCCLKTILLCE-PHDIDXHHSA-N 0 0 150.158 1.165 10 0 ADAERN COc1cccc(OC)c(=O)c1 39246582 571915423 /nfs/dbraw/zinc/91/54/23/571915423.db2.gz SGSGPYIJPFRXKX-UHFFFAOYSA-N 0 0 166.176 1.064 10 0 ADAERN CC[N@@H+]1CCC[C@@H]1/C=C/C(=O)[O-] 687678938 571915430 /nfs/dbraw/zinc/91/54/30/571915430.db2.gz DROBPDBZENERER-HQZHTGGTSA-N 0 0 169.224 1.112 10 0 ADAERN CCCCNC(=S)OC 39248841 571915431 /nfs/dbraw/zinc/91/54/31/571915431.db2.gz URMVHUGNGKNUMW-UHFFFAOYSA-N 0 0 147.243 1.307 10 0 ADAERN OC/C=C1/CCCSCC1 687678410 571915442 /nfs/dbraw/zinc/91/54/42/571915442.db2.gz DNAXPQCCADECPX-BAQGIRSFSA-N 0 0 158.266 1.822 10 0 ADAERN CC1=C[C@@H](CO)S[C@@H]1C 39250717 571915447 /nfs/dbraw/zinc/91/54/47/571915447.db2.gz CVRIPXGWFRAMJL-RQJHMYQMSA-N 0 0 144.239 1.429 10 0 ADAERN COc1ccoc1OC 39241318 571915451 /nfs/dbraw/zinc/91/54/51/571915451.db2.gz SEYQGVYTVHINPB-UHFFFAOYSA-N 0 0 128.127 1.297 10 0 ADAERN C[C@@H](F)CNC(=O)c1ccccc1 39245148 571915461 /nfs/dbraw/zinc/91/54/61/571915461.db2.gz FXORVHSQOBNQOS-MRVPVSSYSA-N 0 0 181.210 1.774 10 0 ADAERN OCC/C=C/c1ccccc1O 687678573 571915480 /nfs/dbraw/zinc/91/54/80/571915480.db2.gz IQJQPCZNRYXJFG-ZZXKWVIFSA-N 0 0 164.204 1.788 10 0 ADAERN Cc1ccc2c(c1)OC[C@@](C)(CO)O2 39257350 571916612 /nfs/dbraw/zinc/91/66/12/571916612.db2.gz ZQRCYGUSGQENNE-LLVKDONJSA-N 0 0 194.230 1.517 10 0 ADAERN C=COCc1ccccn1 39248706 571915484 /nfs/dbraw/zinc/91/54/84/571915484.db2.gz LBMBONBXWKZERQ-UHFFFAOYSA-N 0 0 135.166 1.742 10 0 ADAERN C/C(=C\CO)c1cccc(O)c1 687678581 571915488 /nfs/dbraw/zinc/91/54/88/571915488.db2.gz BBFDFJQUAMYRID-VMPITWQZSA-N 0 0 164.204 1.788 10 0 ADAERN CCOc1ncccc1[C@H](C)O 39240388 571915492 /nfs/dbraw/zinc/91/54/92/571915492.db2.gz OYMVRWYEXFCVFI-ZETCQYMHSA-N 0 0 167.208 1.534 10 0 ADAERN OCC1=CCCCCC1 39252767 571916617 /nfs/dbraw/zinc/91/66/17/571916617.db2.gz CTKOVIILSSJRTB-UHFFFAOYSA-N 0 0 126.199 1.869 10 0 ADAERN COc1ccccc(OC)c1=O 39246572 571915502 /nfs/dbraw/zinc/91/55/02/571915502.db2.gz VECWHWRMAQHLNN-UHFFFAOYSA-N 0 0 166.176 1.064 10 0 ADAERN O=c1[nH]cc2ccc3ccccc3n12 39243945 571915512 /nfs/dbraw/zinc/91/55/12/571915512.db2.gz WYBCBZKYJHQHCU-UHFFFAOYSA-N 0 0 184.198 1.781 10 0 ADAERN CCSC1=NC[C@H](C(C)=O)O1 39250573 571915529 /nfs/dbraw/zinc/91/55/29/571915529.db2.gz HKPGMAZJTDQFRJ-ZCFIWIBFSA-N 0 0 173.237 1.083 10 0 ADAERN COCCn1cc[nH+]c1NC(C)C 234732902 571915576 /nfs/dbraw/zinc/91/55/76/571915576.db2.gz YFAFHOPAOBYHBX-UHFFFAOYSA-N 0 0 183.255 1.350 10 0 ADAERN COc1cccc(=O)c(OC)c1 39246580 571915577 /nfs/dbraw/zinc/91/55/77/571915577.db2.gz RBHKTZXFZMNSES-UHFFFAOYSA-N 0 0 166.176 1.064 10 0 ADAERN C[C@@H]1C=C[C@H](CO)S1 39250711 571915580 /nfs/dbraw/zinc/91/55/80/571915580.db2.gz NRMWAHJFKZYJJF-PHDIDXHHSA-N 0 0 130.212 1.039 10 0 ADAERN O=C1NCCCCCCCN1 39242584 571915581 /nfs/dbraw/zinc/91/55/81/571915581.db2.gz OJHVAWXHIKNWJU-UHFFFAOYSA-N 0 0 156.229 1.250 10 0 ADAERN CCn1nncc1[C@H]([NH2+]C)C1(C)CC1 300773770 571915582 /nfs/dbraw/zinc/91/55/82/571915582.db2.gz AFBSEPBKBQFSFE-VIFPVBQESA-N 0 0 194.282 1.359 10 0 ADAERN C[C@@H]1Cc2ccccc(=O)c2O1 39249887 571915585 /nfs/dbraw/zinc/91/55/85/571915585.db2.gz IKVWFCBSNJVHMN-SSDOTTSWSA-N 0 0 162.188 1.370 10 0 ADAERN CCP([C@@H](C)O)[C@H](C)O 39240286 571915593 /nfs/dbraw/zinc/91/55/93/571915593.db2.gz WYDHCCLKTILLCE-SFJPZXRQSA-N 0 0 150.158 1.165 10 0 ADAERN CC1(C)NC(=O)[C@@H]2CCCC[C@@H]2O1 39249880 571915605 /nfs/dbraw/zinc/91/56/05/571915605.db2.gz HOZKMOYVYDGBRD-SFYZADRCSA-N 0 0 183.251 1.428 10 0 ADAERN CN(C)C(=S)Oc1ccccc1 39240354 571915619 /nfs/dbraw/zinc/91/56/19/571915619.db2.gz UIBSZFMNVHJSFL-UHFFFAOYSA-N 0 0 181.260 1.912 10 0 ADAERN Cc1cc(Cl)cc(Cl)[n+]1[O-] 39238825 571915633 /nfs/dbraw/zinc/91/56/33/571915633.db2.gz ZYCHMHJHVHLACC-UHFFFAOYSA-N 0 0 178.018 1.935 10 0 ADAERN Nc1ccc(Cl)ccc1=O 39246585 571915645 /nfs/dbraw/zinc/91/56/45/571915645.db2.gz RKKWPUAHQIHIRJ-UHFFFAOYSA-N 0 0 155.584 1.282 10 0 ADAERN CCOc1cscc1N 39241158 571915665 /nfs/dbraw/zinc/91/56/65/571915665.db2.gz XIXBIUHLNVEDNB-UHFFFAOYSA-N 0 0 143.211 1.729 10 0 ADAERN COC(=O)/C(F)=C/Cl 39250416 571915679 /nfs/dbraw/zinc/91/56/79/571915679.db2.gz ICVCSAUHTPHDPB-IHWYPQMZSA-N 0 0 138.525 1.209 10 0 ADAERN CC(C)(Cl)CCCO 39245039 571915683 /nfs/dbraw/zinc/91/56/83/571915683.db2.gz IKABQZZXCYSCOZ-UHFFFAOYSA-N 0 0 136.622 1.776 10 0 ADAERN Nc1nnc2c3ccccc3occ1-2 39244446 571915685 /nfs/dbraw/zinc/91/56/85/571915685.db2.gz XLSPALFLQQPFOC-UHFFFAOYSA-N 0 0 185.186 1.910 10 0 ADAERN C[C@H](O)CCC1(O)CCCCC1 39241882 571915689 /nfs/dbraw/zinc/91/56/89/571915689.db2.gz FAHULLJTSZTFFR-VIFPVBQESA-N 0 0 172.268 1.843 10 0 ADAERN S=C1NCCCCCCCN1 39242585 571915692 /nfs/dbraw/zinc/91/56/92/571915692.db2.gz IIZGFQCXFNPUBR-UHFFFAOYSA-N 0 0 172.297 1.415 10 0 ADAERN O=C1CC[C@H]2C=CC[C@H]12 39243541 571915703 /nfs/dbraw/zinc/91/57/03/571915703.db2.gz BTDXLOZJMXSYRM-RQJHMYQMSA-N 0 0 122.167 1.542 10 0 ADAERN O=c1[nH]cc2c3ccccc3ccn12 39243946 571915707 /nfs/dbraw/zinc/91/57/07/571915707.db2.gz HXBKTUCHKXDVMK-UHFFFAOYSA-N 0 0 184.198 1.781 10 0 ADAERN C=Cc1ccn(C)c1 39241056 571915748 /nfs/dbraw/zinc/91/57/48/571915748.db2.gz QKXVYVSLNSPSSO-UHFFFAOYSA-N 0 0 107.156 1.668 10 0 ADAERN CSC1=NC[C@@](C)(C(C)=O)O1 39241738 571915749 /nfs/dbraw/zinc/91/57/49/571915749.db2.gz QQUBMWINQDBKDK-ZETCQYMHSA-N 0 0 173.237 1.083 10 0 ADAERN CSC1=NC[C@](C)(C(C)=O)O1 39241739 571915751 /nfs/dbraw/zinc/91/57/51/571915751.db2.gz QQUBMWINQDBKDK-SSDOTTSWSA-N 0 0 173.237 1.083 10 0 ADAERN COC(=O)[C@@]1(C)CCCC(=O)C1 39249182 571915752 /nfs/dbraw/zinc/91/57/52/571915752.db2.gz PQCUJZSLGBLOSS-VIFPVBQESA-N 0 0 170.208 1.309 10 0 ADAERN CC[C@H](C)C(=S)NC 39247822 571915722 /nfs/dbraw/zinc/91/57/22/571915722.db2.gz YUERFGBFPSJDKV-YFKPBYRVSA-N 0 0 131.244 1.579 10 0 ADAERN C[C@H](C[NH2+]C[C@@H]1CC1(C)C)C(=O)[O-] 235463677 571915732 /nfs/dbraw/zinc/91/57/32/571915732.db2.gz CGHMJZWLSHGOKS-SFYZADRCSA-N 0 0 185.267 1.343 10 0 ADAERN OCC/C=C/C[C@@H]1CCCOC1 687679335 571916620 /nfs/dbraw/zinc/91/66/20/571916620.db2.gz QFYBLVNRASZPLG-TXXBHVLJSA-N 0 0 170.252 1.742 10 0 ADAERN C/C=C/C=C/CN1CCOCC1 39242502 571915767 /nfs/dbraw/zinc/91/57/67/571915767.db2.gz HENKQYUNEPYEQU-MQQKCMAXSA-N 0 0 167.252 1.451 10 0 ADAERN O[C@@H]1Cc2ccccc2[C@H](O)C1 39246967 571915794 /nfs/dbraw/zinc/91/57/94/571915794.db2.gz HVCIHTJTCNLLNU-PSASIEDQSA-N 0 0 164.204 1.027 10 0 ADAERN CN1CC[C@H](c2cccc(O)c2)C1=O 39261441 571916622 /nfs/dbraw/zinc/91/66/22/571916622.db2.gz UJLKWEKIONGLJO-SNVBAGLBSA-N 0 0 191.230 1.338 10 0 ADAERN CC(=O)Cn1ccn(C)c1=S 39238657 571915804 /nfs/dbraw/zinc/91/58/04/571915804.db2.gz UMCPWKJPDYZMER-UHFFFAOYSA-N 0 0 170.237 1.145 10 0 ADAERN CC[C@]1(C)OC(=N)C=C1N 39259440 571916625 /nfs/dbraw/zinc/91/66/25/571916625.db2.gz PROLKTYKUMBTIZ-ZETCQYMHSA-N 0 0 140.186 1.005 10 0 ADAERN C[C@H]1C=C[C@@H](CO)S1 39250714 571915869 /nfs/dbraw/zinc/91/58/69/571915869.db2.gz NRMWAHJFKZYJJF-WDSKDSINSA-N 0 0 130.212 1.039 10 0 ADAERN C[C@@H]1C=C[C@@H](CO)S1 39250713 571915878 /nfs/dbraw/zinc/91/58/78/571915878.db2.gz NRMWAHJFKZYJJF-RITPCOANSA-N 0 0 130.212 1.039 10 0 ADAERN C[C@@]12Oc3ccccc3C(=O)[C@@H]1O2 39250599 571915884 /nfs/dbraw/zinc/91/58/84/571915884.db2.gz MOWDFVQLEFYJLP-UWVGGRQHSA-N 0 0 176.171 1.377 10 0 ADAERN OCCCCC1(O)CCCC1 39241884 571915888 /nfs/dbraw/zinc/91/58/88/571915888.db2.gz GWRYTFCCTFEXSJ-UHFFFAOYSA-N 0 0 158.241 1.454 10 0 ADAERN Cc1cc(O)c2ccc(=O)oc2c1 39244370 571915893 /nfs/dbraw/zinc/91/58/93/571915893.db2.gz UVFMJFFJAOEQKT-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN O=c1nnc(-c2ccc(F)cc2)c[nH]1 39249791 571915918 /nfs/dbraw/zinc/91/59/18/571915918.db2.gz KSDUGXFEJOPISE-UHFFFAOYSA-N 0 0 191.165 1.383 10 0 ADAERN CSC1=NC(C)(C)C(C)=NN1 39238695 571915935 /nfs/dbraw/zinc/91/59/35/571915935.db2.gz YSZAFTBVMVLFLM-UHFFFAOYSA-N 0 0 171.269 1.463 10 0 ADAERN O=C1CCC[C@@H]2C=CC[C@H]12 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571920466 /nfs/dbraw/zinc/92/04/66/571920466.db2.gz LRBAFUJEQQGGBH-SSDOTTSWSA-N 0 0 146.230 1.308 10 0 ADAERN CC1(C)[C@H]2CC[C@@H](O)[C@H]21 39277658 571920508 /nfs/dbraw/zinc/92/05/08/571920508.db2.gz SQPHSSIRUVPYCV-XVMARJQXSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@H](CO)[C@H](O)C1CCCCC1 39271109 571920515 /nfs/dbraw/zinc/92/05/15/571920515.db2.gz VYZBHLWIWOZNBP-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN COC(=O)C/C=C/Cc1ccco1 687679877 571920516 /nfs/dbraw/zinc/92/05/16/571920516.db2.gz SINCYIJUXVUQGC-NSCUHMNNSA-N 0 0 180.203 1.941 10 0 ADAERN O[C@@H]1CCc2cc(F)c(F)cc2C1 139466056 571920544 /nfs/dbraw/zinc/92/05/44/571920544.db2.gz CUHNSHJCIPSGRF-MRVPVSSYSA-N 0 0 184.185 1.814 10 0 ADAERN CCCC[C@H](CO)OC 39279254 571920545 /nfs/dbraw/zinc/92/05/45/571920545.db2.gz UQQVBJKORUYXHY-SSDOTTSWSA-N 0 0 132.203 1.184 10 0 ADAERN CCCC[C@@H](O)[C@H]1CCCO1 39270475 571920561 /nfs/dbraw/zinc/92/05/61/571920561.db2.gz WPEWNZPUWCQYQM-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN 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/nfs/dbraw/zinc/92/13/64/571921364.db2.gz MTYJVPJHMALOFB-ACZMJKKPSA-N 0 0 144.214 1.386 10 0 ADAERN C[C@H](O)C(C)(C)C(C)(C)O 39333301 571921365 /nfs/dbraw/zinc/92/13/65/571921365.db2.gz SOZFVEBFRCACOE-LURJTMIESA-N 0 0 146.230 1.164 10 0 ADAERN O[C@H]1CCc2c(F)cc(F)cc2C1 139453131 571921032 /nfs/dbraw/zinc/92/10/32/571921032.db2.gz XQIONCDGNVRBQG-QMMMGPOBSA-N 0 0 184.185 1.814 10 0 ADAERN CSc1ccc2nc[nH]c(=O)c2c1 39329290 571921085 /nfs/dbraw/zinc/92/10/85/571921085.db2.gz MTLLYGIGUMMWBT-UHFFFAOYSA-N 0 0 192.243 1.645 10 0 ADAERN OC/C=C\CNc1ccccc1O 687679727 571921090 /nfs/dbraw/zinc/92/10/90/571921090.db2.gz FOYPOSXPYCHHLL-ARJAWSKDSA-N 0 0 179.219 1.353 10 0 ADAERN CC(C)[C@@H](C)[N@@H+]1CC[C@@H](CC(=O)[O-])C1 227714266 571921167 /nfs/dbraw/zinc/92/11/67/571921167.db2.gz QPOYFHDADMPYIT-ZJUUUORDSA-N 0 0 199.294 1.828 10 0 ADAERN CNC(=O)Cc1ccc2cc[nH]c2c1 144663140 571921350 /nfs/dbraw/zinc/92/13/50/571921350.db2.gz KJOZLACHBDAQDW-UHFFFAOYSA-N 0 0 188.230 1.456 10 0 ADAERN CC(=O)O[C@H]1C[C@H](C)CCC1=O 196140836 571921210 /nfs/dbraw/zinc/92/12/10/571921210.db2.gz YIZGZUQIYLXENV-MUWHJKNJSA-N 0 0 170.208 1.307 10 0 ADAERN CN(c1nnc(N)o1)C1CCCCC1 234268496 571921213 /nfs/dbraw/zinc/92/12/13/571921213.db2.gz SPSXVHFVVLYIEY-UHFFFAOYSA-N 0 0 196.254 1.421 10 0 ADAERN CCOC(=O)/C=C/C=C1/CCO[C@@H]1C 300780203 571921269 /nfs/dbraw/zinc/92/12/69/571921269.db2.gz RKZUIHBKJTTWKF-HDTVRJOVSA-N 0 0 196.246 1.841 10 0 ADAERN Cn1c(=S)[nH]c(=O)c2cc[nH]c21 39339594 571921279 /nfs/dbraw/zinc/92/12/79/571921279.db2.gz SPQLMEUHXXQJEC-UHFFFAOYSA-N 0 0 181.220 1.336 10 0 ADAERN O[C@H]1CCc2cc(F)c(F)cc2C1 139466159 571921298 /nfs/dbraw/zinc/92/12/98/571921298.db2.gz CUHNSHJCIPSGRF-QMMMGPOBSA-N 0 0 184.185 1.814 10 0 ADAERN O=C1N=CC(c2cccc(F)c2)=N1 39325813 571921300 /nfs/dbraw/zinc/92/13/00/571921300.db2.gz VLXSXJMIFFQTGS-UHFFFAOYSA-N 0 0 176.150 1.819 10 0 ADAERN CNC(=O)NC(=O)Nc1ccccc1 39322427 571921308 /nfs/dbraw/zinc/92/13/08/571921308.db2.gz MLXDQAFSPJLRSX-UHFFFAOYSA-N 0 0 193.206 1.148 10 0 ADAERN C=CC(=O)N1C[C@H]2CC[C@@H]2C1 711200046 571921313 /nfs/dbraw/zinc/92/13/13/571921313.db2.gz IQQHEURJZPRBKE-HTQZYQBOSA-N 0 0 151.209 1.041 10 0 ADAERN C[C@H](CO)Sc1ncccc1CO 235479237 571921317 /nfs/dbraw/zinc/92/13/17/571921317.db2.gz ZJQPHAUBYIFILN-SSDOTTSWSA-N 0 0 199.275 1.047 10 0 ADAERN c1ccc(C[C@@H]2COCCO2)cc1 39338634 571921355 /nfs/dbraw/zinc/92/13/55/571921355.db2.gz ASFXYZUOJIMOGD-LLVKDONJSA-N 0 0 178.231 1.645 10 0 ADAERN CNC(=O)c1c(C)nn2ccccc12 39320635 571921406 /nfs/dbraw/zinc/92/14/06/571921406.db2.gz PAJRBZBZJBSYKK-UHFFFAOYSA-N 0 0 189.218 1.002 10 0 ADAERN CC(C)[C@@H](C)NOCC1CC1 711200558 571921424 /nfs/dbraw/zinc/92/14/24/571921424.db2.gz NRVOPWUUKOLBCD-MRVPVSSYSA-N 0 0 157.257 1.962 10 0 ADAERN CCOc1cccnc1[C@@H](C)O 39338395 571921465 /nfs/dbraw/zinc/92/14/65/571921465.db2.gz GZMMGLNJCAVNHG-SSDOTTSWSA-N 0 0 167.208 1.534 10 0 ADAERN CC(C)CC(=O)C[C@H](C)O 39318506 571921496 /nfs/dbraw/zinc/92/14/96/571921496.db2.gz RSGNVLNLUAGLFI-ZETCQYMHSA-N 0 0 144.214 1.373 10 0 ADAERN Cc1ccc([C@@]23C[C@@H]2CNC3=O)cc1 39332106 571921527 /nfs/dbraw/zinc/92/15/27/571921527.db2.gz GRTIXQDKSSDNHF-PWSUYJOCSA-N 0 0 187.242 1.383 10 0 ADAERN NC(=S)c1ccc2ccsc2n1 39318173 571921539 /nfs/dbraw/zinc/92/15/39/571921539.db2.gz QQQYOAGRZXUEFV-UHFFFAOYSA-N 0 0 194.284 1.931 10 0 ADAERN C/C=C/[C@H]1CCC1=O 39329924 571921550 /nfs/dbraw/zinc/92/15/50/571921550.db2.gz XCKPQVJBFYAXEQ-SZKDQXIBSA-N 0 0 110.156 1.542 10 0 ADAERN O=[S@@]1CCCNc2ccccc2C1 39316516 571921631 /nfs/dbraw/zinc/92/16/31/571921631.db2.gz MHICNXASFJZLEF-ZDUSSCGKSA-N 0 0 195.287 1.751 10 0 ADAERN Cc1cccc2c1[nH]c(=O)n2C 113413467 571921641 /nfs/dbraw/zinc/92/16/41/571921641.db2.gz SKQYIADZTJMUQU-UHFFFAOYSA-N 0 0 162.192 1.175 10 0 ADAERN CCc1cc([C@@H](C)O)ncc1OC 139375789 571921643 /nfs/dbraw/zinc/92/16/43/571921643.db2.gz GIDIDSQDLDZIFB-SSDOTTSWSA-N 0 0 181.235 1.706 10 0 ADAERN c1c[nH]c(C2=NCCCO2)c1 196141132 571921671 /nfs/dbraw/zinc/92/16/71/571921671.db2.gz XOOMRWKFLXNMKX-UHFFFAOYSA-N 0 0 150.181 1.182 10 0 ADAERN CC(=O)c1ccc(C(N)=S)cc1 39338603 571921690 /nfs/dbraw/zinc/92/16/90/571921690.db2.gz ABEKALYJEDVXTN-UHFFFAOYSA-N 0 0 179.244 1.523 10 0 ADAERN C[C@@H]1CCC(=O)c2nccc(=O)n21 139397504 571921729 /nfs/dbraw/zinc/92/17/29/571921729.db2.gz AVXZBGSNFVGSAO-ZCFIWIBFSA-N 0 0 178.191 1.107 10 0 ADAERN CCn1nncc1[C@H](C)C[C@H](C)O 300777779 571921732 /nfs/dbraw/zinc/92/17/32/571921732.db2.gz AUGPBRBRUJMSFI-SFYZADRCSA-N 0 0 183.255 1.172 10 0 ADAERN CC(C)Cc1cc([C@H](C)O)on1 39340936 571921751 /nfs/dbraw/zinc/92/17/51/571921751.db2.gz DSMRGKQFTJMXRC-ZETCQYMHSA-N 0 0 169.224 1.926 10 0 ADAERN OCc1nccc2c1CCCC2 139386705 571921842 /nfs/dbraw/zinc/92/18/42/571921842.db2.gz CIXKTUZKFSOTCT-UHFFFAOYSA-N 0 0 163.220 1.453 10 0 ADAERN CCC(=O)[C@@]1(CO)CC=CCC1 39332655 571921871 /nfs/dbraw/zinc/92/18/71/571921871.db2.gz VXEJBSISIOYRIB-JTQLQIEISA-N 0 0 168.236 1.684 10 0 ADAERN OCc1cc2c(cn1)CCCC2 139369997 571921892 /nfs/dbraw/zinc/92/18/92/571921892.db2.gz SZSMYQPIAAUBBY-UHFFFAOYSA-N 0 0 163.220 1.453 10 0 ADAERN O=[S@]1CCCNc2ccccc2C1 39316515 571921858 /nfs/dbraw/zinc/92/18/58/571921858.db2.gz MHICNXASFJZLEF-CYBMUJFWSA-N 0 0 195.287 1.751 10 0 ADAERN CC[C@H](O)C(=O)Nc1ccc(C)cc1 196142951 571921864 /nfs/dbraw/zinc/92/18/64/571921864.db2.gz VTIODBOHBUKZBG-JTQLQIEISA-N 0 0 193.246 1.704 10 0 ADAERN C=CC(=O)N1C[C@H]2CC[C@H]2C1 711200048 571921866 /nfs/dbraw/zinc/92/18/66/571921866.db2.gz IQQHEURJZPRBKE-OCAPTIKFSA-N 0 0 151.209 1.041 10 0 ADAERN CC(C)[NH2+]Cc1ncccc1C(=O)[O-] 300777587 571921875 /nfs/dbraw/zinc/92/18/75/571921875.db2.gz RDNHLFMHJVLYNN-UHFFFAOYSA-N 0 0 194.234 1.278 10 0 ADAERN CNc1cccc2c1OC1(CC1)C2=O 39341843 571921878 /nfs/dbraw/zinc/92/18/78/571921878.db2.gz MJOOFNRRIGSFOB-UHFFFAOYSA-N 0 0 189.214 1.836 10 0 ADAERN Cc1ccc(C[NH2+][C@H]2C[C@@H]2C)cn1 158524583 571921889 /nfs/dbraw/zinc/92/18/89/571921889.db2.gz UGALGYYHPBRIFV-KWQFWETISA-N 0 0 176.263 1.888 10 0 ADAERN CC(C)[C@H]1CN(C(C)(C)C)C(=O)N1 139431236 571921909 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194.282 1.115 10 0 ADAERN COC(=O)/C=C/C=C/[C@@H]1CCCOC1 687681830 571929350 /nfs/dbraw/zinc/92/93/50/571929350.db2.gz UIMNTLBJFXIARC-WDNXNIRISA-N 0 0 196.246 1.698 10 0 ADAERN CC(=O)CC1(NC(C)=O)CCC1 39473896 571929291 /nfs/dbraw/zinc/92/92/91/571929291.db2.gz IRVOZGOBHMVGRP-UHFFFAOYSA-N 0 0 169.224 1.024 10 0 ADAERN Cc1cc(C=O)c(C=O)cc1C 39476388 571929406 /nfs/dbraw/zinc/92/94/06/571929406.db2.gz RVQPYKLCDGTEPT-UHFFFAOYSA-N 0 0 162.188 1.928 10 0 ADAERN O[C@@H]1CC(c2ccccc2)=NO1 196160232 571929430 /nfs/dbraw/zinc/92/94/30/571929430.db2.gz FTBLUWIRHHICSD-VIFPVBQESA-N 0 0 163.176 1.129 10 0 ADAERN CO[C@@H](NC(C)=O)c1ccccc1 39422841 571929479 /nfs/dbraw/zinc/92/94/79/571929479.db2.gz GFTPMLKEKMVLGY-SNVBAGLBSA-N 0 0 179.219 1.468 10 0 ADAERN C=C/C(C)=C\CCO 39416005 571929495 /nfs/dbraw/zinc/92/94/95/571929495.db2.gz NNGVLPJYESSKNP-ALCCZGGFSA-N 0 0 112.172 1.501 10 0 ADAERN CC[C@H](O)[C@H]1CCCC1=O 39436784 571929499 /nfs/dbraw/zinc/92/94/99/571929499.db2.gz YOGOAULRGOSTPO-RQJHMYQMSA-N 0 0 142.198 1.127 10 0 ADAERN CSC[C@@H](C)C(=O)c1nccn1C 300796255 571929503 /nfs/dbraw/zinc/92/95/03/571929503.db2.gz CJMXNCZCHQKYMY-SSDOTTSWSA-N 0 0 198.291 1.602 10 0 ADAERN CCOC(=O)/C=C/C=C/[C@H]1CCOC1 300796646 571929531 /nfs/dbraw/zinc/92/95/31/571929531.db2.gz UUPBZGRUPWPENH-SWXMNJOUSA-N 0 0 196.246 1.698 10 0 ADAERN CC(C)(C)C1CSC(=N)N=N1 39438395 571929536 /nfs/dbraw/zinc/92/95/36/571929536.db2.gz OVNCZNJEZAXXHV-UHFFFAOYSA-N 0 0 171.269 1.450 10 0 ADAERN OCCn1ccc(=S)cc1 39419574 571930428 /nfs/dbraw/zinc/93/04/28/571930428.db2.gz WOZZPUQWQIQGIT-UHFFFAOYSA-N 0 0 155.222 1.210 10 0 ADAERN COC(=O)C(=O)Cc1cccc(O)c1 687681510 571929570 /nfs/dbraw/zinc/92/95/70/571929570.db2.gz CTQJKFSXUJEANF-RMKNXTFCSA-N 0 0 194.186 1.464 10 0 ADAERN CCCn1nncc1NCC(C)C 300792589 571929580 /nfs/dbraw/zinc/92/95/80/571929580.db2.gz BXNHNXJMLKBUHK-UHFFFAOYSA-N 0 0 182.271 1.756 10 0 ADAERN CC12CC(C[C@H]1O)C2 39433985 571929586 /nfs/dbraw/zinc/92/95/86/571929586.db2.gz KABYAYRKZARQQO-YURFNIAASA-N 0 0 112.172 1.167 10 0 ADAERN [NH3+][C@H](/C=C\c1ccc(F)cc1)C(=O)[O-] 687681717 571929589 /nfs/dbraw/zinc/92/95/89/571929589.db2.gz BTYHDJXBRXYQMR-JVBZPZKUSA-N 0 0 195.193 1.251 10 0 ADAERN CO[C@H](C)[C@@H](O)c1ccnn1C(C)C 300795946 571929601 /nfs/dbraw/zinc/92/96/01/571929601.db2.gz VLMKLJGXBPEMBD-PSASIEDQSA-N 0 0 198.266 1.532 10 0 ADAERN COC(=O)/C=C\c1nc(C2CC2)no1 687681606 571929614 /nfs/dbraw/zinc/92/96/14/571929614.db2.gz JEJKYVCMBIDAQI-PLNGDYQASA-N 0 0 194.190 1.133 10 0 ADAERN COC(=O)/C=C\C=C/[C@H]1CCCOC1 687681831 571930433 /nfs/dbraw/zinc/93/04/33/571930433.db2.gz UIMNTLBJFXIARC-ZMRKUIFTSA-N 0 0 196.246 1.698 10 0 ADAERN O=C1CCC2CC1(F)C2 39437706 571929649 /nfs/dbraw/zinc/92/96/49/571929649.db2.gz OKEXKQIBDKHYKG-UHFFFAOYSA-N 0 0 128.146 1.468 10 0 ADAERN CC[C@@H](O)[C@@H]1CCCCC1=O 39436790 571929684 /nfs/dbraw/zinc/92/96/84/571929684.db2.gz RFFJGNBKNOWRDB-JGVFFNPUSA-N 0 0 156.225 1.517 10 0 ADAERN CCOc1ccn(CC)c1 39418862 571929695 /nfs/dbraw/zinc/92/96/95/571929695.db2.gz YVJFJDGNKPVJQF-UHFFFAOYSA-N 0 0 139.198 1.907 10 0 ADAERN COC1=CC[C@@H]2[C@@H](O)CC[C@H]2C1 39432494 571929742 /nfs/dbraw/zinc/92/97/42/571929742.db2.gz OZYXJZDQDFYNKS-HGNGGELXSA-N 0 0 168.236 1.698 10 0 ADAERN CC1(C)Oc2ccc(O)cc2C1=O 39437215 571929752 /nfs/dbraw/zinc/92/97/52/571929752.db2.gz BPKUTXDHBQPQIM-UHFFFAOYSA-N 0 0 178.187 1.746 10 0 ADAERN COc1ccn(C)c1 39418861 571929778 /nfs/dbraw/zinc/92/97/78/571929778.db2.gz OXEBDAHOARLIIG-UHFFFAOYSA-N 0 0 111.144 1.034 10 0 ADAERN S=C1N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2CO1 39420067 571929785 /nfs/dbraw/zinc/92/97/85/571929785.db2.gz WCXZZNJRFIRYTO-OSMVPFSASA-N 0 0 183.276 1.306 10 0 ADAERN COC(=O)/C=C/C=C/C1CCOCC1 687681827 571929787 /nfs/dbraw/zinc/92/97/87/571929787.db2.gz LKLHTNMDRGUJEB-ZUVMSYQZSA-N 0 0 196.246 1.698 10 0 ADAERN COC(C)(C)[C@@](C)(O)CC1CC1 300791478 571929805 /nfs/dbraw/zinc/92/98/05/571929805.db2.gz YDCZZUGEBIOSAZ-JTQLQIEISA-N 0 0 172.268 1.963 10 0 ADAERN CCOC(=O)/C=C\c1nn(C)cc1C 687681637 571929819 /nfs/dbraw/zinc/92/98/19/571929819.db2.gz ZHXKEZVMZKOQSM-WAYWQWQTSA-N 0 0 194.234 1.305 10 0 ADAERN COc1ccc(O)c(Cl)c1O 39475118 571929820 /nfs/dbraw/zinc/92/98/20/571929820.db2.gz FLLKEIPUAOSBCF-UHFFFAOYSA-N 0 0 174.583 1.760 10 0 ADAERN c1cc(Cc2ncc[nH]2)ccn1 39472515 571929831 /nfs/dbraw/zinc/92/98/31/571929831.db2.gz UZLFHDUASYXLRJ-UHFFFAOYSA-N 0 0 159.192 1.396 10 0 ADAERN COC(=O)[C@H]1CC1(Cl)Cl 39425185 571929848 /nfs/dbraw/zinc/92/98/48/571929848.db2.gz DCQSHRHEPJCELV-GSVOUGTGSA-N 0 0 169.007 1.353 10 0 ADAERN COC1=CC[C@H]2C(=O)CC[C@@H]2C1 39432481 571929867 /nfs/dbraw/zinc/92/98/67/571929867.db2.gz ASEKSZLFLXQGBG-VXNVDRBHSA-N 0 0 166.220 1.906 10 0 ADAERN CC[C@H](O)[C@H]1CCCCC1=O 39436792 571929875 /nfs/dbraw/zinc/92/98/75/571929875.db2.gz RFFJGNBKNOWRDB-SFYZADRCSA-N 0 0 156.225 1.517 10 0 ADAERN COc1ccccc1NC/C=C\CO 687681477 571929879 /nfs/dbraw/zinc/92/98/79/571929879.db2.gz RECFQGLTVNCPHB-PLNGDYQASA-N 0 0 193.246 1.656 10 0 ADAERN CC[C@]1(COC)[C@@H](CO)C1(C)C 300793919 571930014 /nfs/dbraw/zinc/93/00/14/571930014.db2.gz ZGRUCHLSVLNEFG-WPRPVWTQSA-N 0 0 172.268 1.678 10 0 ADAERN CCC[C@@H](C)[C@@H](O)c1cnnn1CC 300801651 571936855 /nfs/dbraw/zinc/93/68/55/571936855.db2.gz DRXUEHIGOFCGGG-PSASIEDQSA-N 0 0 197.282 1.768 10 0 ADAERN [NH3+][C@@H](/C=C\c1ccccc1F)C(=O)[O-] 687681722 571930030 /nfs/dbraw/zinc/93/00/30/571930030.db2.gz NVTLGCLOQGBPMC-UDIARPCQSA-N 0 0 195.193 1.251 10 0 ADAERN CCOC(=O)/C=C\c1cc(C)n(C)n1 687681630 571930076 /nfs/dbraw/zinc/93/00/76/571930076.db2.gz SCGCZADPDDGIQV-WAYWQWQTSA-N 0 0 194.234 1.305 10 0 ADAERN CC(=O)OCc1cccc(N)c1C 39434028 571930098 /nfs/dbraw/zinc/93/00/98/571930098.db2.gz IWCGRGYXKLTDSN-UHFFFAOYSA-N 0 0 179.219 1.640 10 0 ADAERN COC1=CC[C@@H]2C(=O)CC[C@@H]2C1 39432483 571930103 /nfs/dbraw/zinc/93/01/03/571930103.db2.gz ASEKSZLFLXQGBG-APPZFPTMSA-N 0 0 166.220 1.906 10 0 ADAERN CCOC(=O)SC 39424414 571930137 /nfs/dbraw/zinc/93/01/37/571930137.db2.gz SUDBVMMHYGJOTC-UHFFFAOYSA-N 0 0 120.173 1.506 10 0 ADAERN COCCOCCCC1(CO)CC1 234756081 571936868 /nfs/dbraw/zinc/93/68/68/571936868.db2.gz INOSBDIDHVQSGB-UHFFFAOYSA-N 0 0 188.267 1.202 10 0 ADAERN CO[C@@H](C)[C@H](O)c1ccnn1C(C)C 300795955 571930167 /nfs/dbraw/zinc/93/01/67/571930167.db2.gz VLMKLJGXBPEMBD-WPRPVWTQSA-N 0 0 198.266 1.532 10 0 ADAERN CSC[C@@H](C)[C@@H](O)C1=CCCO1 300795377 571930177 /nfs/dbraw/zinc/93/01/77/571930177.db2.gz ZPIBVULAXNIZFI-VXNVDRBHSA-N 0 0 188.292 1.651 10 0 ADAERN Cc1cc([C@@H](CC2CC2)NN)nn1C 300796123 571930208 /nfs/dbraw/zinc/93/02/08/571930208.db2.gz ZWHYNVLSUHWYHR-SECBINFHSA-N 0 0 194.282 1.033 10 0 ADAERN CC(C)(C)CCc1noc(CO)n1 300790538 571930276 /nfs/dbraw/zinc/93/02/76/571930276.db2.gz CHNAOIBJNZVVRX-UHFFFAOYSA-N 0 0 184.239 1.541 10 0 ADAERN O=C1C[C@@H](CCO)Cc2ccccc21 39427952 571930292 /nfs/dbraw/zinc/93/02/92/571930292.db2.gz WBOBABCTMOGBNZ-VIFPVBQESA-N 0 0 190.242 1.814 10 0 ADAERN CO[C@@H](C)[C@@H](O)c1ccnn1C(C)C 300795951 571930300 /nfs/dbraw/zinc/93/03/00/571930300.db2.gz VLMKLJGXBPEMBD-WCBMZHEXSA-N 0 0 198.266 1.532 10 0 ADAERN CCCc1cc(NC(=O)N(C)C)on1 39475293 571930325 /nfs/dbraw/zinc/93/03/25/571930325.db2.gz LJFLSSVKLBCDNE-UHFFFAOYSA-N 0 0 197.238 1.721 10 0 ADAERN [NH3+][C@H](/C=C\c1cccc(F)c1)C(=O)[O-] 687681720 571930336 /nfs/dbraw/zinc/93/03/36/571930336.db2.gz MGKZVALSTYSDAM-XRVBUDJMSA-N 0 0 195.193 1.251 10 0 ADAERN Cn1nc2c(oc3ccccc32)c1N 39472982 571930343 /nfs/dbraw/zinc/93/03/43/571930343.db2.gz JJMIBKVYPZDBCU-UHFFFAOYSA-N 0 0 187.202 1.902 10 0 ADAERN COC(=O)C(=O)Cc1ccccc1O 687681511 571930364 /nfs/dbraw/zinc/93/03/64/571930364.db2.gz KFQGJPPWYFIUJJ-RMKNXTFCSA-N 0 0 194.186 1.464 10 0 ADAERN Cn1nc(N)c2oc3ccccc3c21 39473000 571930424 /nfs/dbraw/zinc/93/04/24/571930424.db2.gz WQXPLOSDHHGEFT-UHFFFAOYSA-N 0 0 187.202 1.902 10 0 ADAERN [NH3+]C/C=C\c1ccc(F)cc1C(=O)[O-] 687681726 571930371 /nfs/dbraw/zinc/93/03/71/571930371.db2.gz VLGIOBXSCWEPLF-UPHRSURJSA-N 0 0 195.193 1.496 10 0 ADAERN CCc1cc(O)c(C)c(O)c1 39437283 571930385 /nfs/dbraw/zinc/93/03/85/571930385.db2.gz CUEMVIJZQVZJRC-UHFFFAOYSA-N 0 0 152.193 1.969 10 0 ADAERN O=C1NC(=O)C2(CCCC2)S1 39428471 571930397 /nfs/dbraw/zinc/93/03/97/571930397.db2.gz MCUKDEMJLVLCOM-UHFFFAOYSA-N 0 0 171.221 1.282 10 0 ADAERN COCCC(C)(C)Cn1cc[nH]c1=O 234747738 571930410 /nfs/dbraw/zinc/93/04/10/571930410.db2.gz HZXRSBSWLBBCJP-UHFFFAOYSA-N 0 0 198.266 1.239 10 0 ADAERN CNNC(=S)Nc1ccccc1 39649795 571936921 /nfs/dbraw/zinc/93/69/21/571936921.db2.gz XLPNZLPUGORYLZ-UHFFFAOYSA-N 0 0 181.264 1.107 10 0 ADAERN CO[C@H](NC(C)=O)c1ccccc1 39422842 571930469 /nfs/dbraw/zinc/93/04/69/571930469.db2.gz GFTPMLKEKMVLGY-JTQLQIEISA-N 0 0 179.219 1.468 10 0 ADAERN COC1=CC[C@@H]2[C@@H](O)CC[C@@H]2C1 39432491 571930473 /nfs/dbraw/zinc/93/04/73/571930473.db2.gz OZYXJZDQDFYNKS-JEZHCXPESA-N 0 0 168.236 1.698 10 0 ADAERN COCCOCCCC(C)(C)CO 234747752 571930475 /nfs/dbraw/zinc/93/04/75/571930475.db2.gz FQYSLDHUENJLHS-UHFFFAOYSA-N 0 0 190.283 1.448 10 0 ADAERN COC(=O)C=Cc1cc(C(C)C)[nH]n1 687681619 571930484 /nfs/dbraw/zinc/93/04/84/571930484.db2.gz MNTWJGXQIMQOOF-PLNGDYQASA-N 0 0 194.234 1.719 10 0 ADAERN COC(=O)/C=C\c1nc(C(C)C)no1 687681857 571930521 /nfs/dbraw/zinc/93/05/21/571930521.db2.gz FSYGPYZCHZCDOZ-PLNGDYQASA-N 0 0 196.206 1.379 10 0 ADAERN COC(=O)S[C@@H](C)C(C)=O 196158557 571930531 /nfs/dbraw/zinc/93/05/31/571930531.db2.gz TWGSSBHCHAYZTO-YFKPBYRVSA-N 0 0 162.210 1.464 10 0 ADAERN COC(=O)/C=C/C=C/[C@H]1CCCOC1 687681828 571930589 /nfs/dbraw/zinc/93/05/89/571930589.db2.gz UIMNTLBJFXIARC-LMSAEOKSSA-N 0 0 196.246 1.698 10 0 ADAERN Cl[C@]12CCCN=C1NCCC2 39416595 571930590 /nfs/dbraw/zinc/93/05/90/571930590.db2.gz ZMFWCRGPKDVXBZ-UHFFFAOYSA-N 0 0 172.659 1.540 10 0 ADAERN C/C=C/C(O)/C=C/C 39424622 571930601 /nfs/dbraw/zinc/93/06/01/571930601.db2.gz WHVATOGVKXQKTQ-GGWOSOGESA-N 0 0 112.172 1.500 10 0 ADAERN COC(=O)/C(F)=C\c1ccccc1O 687681853 571930765 /nfs/dbraw/zinc/93/07/65/571930765.db2.gz ACLOOXAXIYFUJQ-SOFGYWHQSA-N 0 0 196.177 1.876 10 0 ADAERN Cn1nccc1[C@H](CC1(C)CC1)NN 401331858 571930609 /nfs/dbraw/zinc/93/06/09/571930609.db2.gz FURODWDQAOXMQR-QMMMGPOBSA-N 0 0 194.282 1.115 10 0 ADAERN CNCc1noc(CCC(C)(C)C)n1 300784561 571930636 /nfs/dbraw/zinc/93/06/36/571930636.db2.gz VVHULLOZSSXXBH-UHFFFAOYSA-N 0 0 197.282 1.768 10 0 ADAERN C[C@H]1CC(c2ccccc2)=NO[C@@H]1O 196158539 571930650 /nfs/dbraw/zinc/93/06/50/571930650.db2.gz MCIOSFNWWIYMJK-KWQFWETISA-N 0 0 191.230 1.766 10 0 ADAERN COC1=CC[C@@H]2C(=O)CC[C@H]2C1 39432487 571930677 /nfs/dbraw/zinc/93/06/77/571930677.db2.gz ASEKSZLFLXQGBG-CBAPKCEASA-N 0 0 166.220 1.906 10 0 ADAERN C[C@@H]1CC(c2ccccc2)=NO[C@@H]1O 196158530 571930684 /nfs/dbraw/zinc/93/06/84/571930684.db2.gz MCIOSFNWWIYMJK-KCJUWKMLSA-N 0 0 191.230 1.766 10 0 ADAERN Nc1cnn2cnc3ccccc3c12 39414850 571930687 /nfs/dbraw/zinc/93/06/87/571930687.db2.gz XUTPDXWQYSTOSG-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN CCOC(=O)/C=C\c1cc(C)nn1C 687681635 571930696 /nfs/dbraw/zinc/93/06/96/571930696.db2.gz XHNCJEXKMYQAJH-WAYWQWQTSA-N 0 0 194.234 1.305 10 0 ADAERN OCC[C@H](O)C(Cl)(Cl)Cl 39476315 571930717 /nfs/dbraw/zinc/93/07/17/571930717.db2.gz BOHAPDGJDQDLPC-VKHMYHEASA-N 0 0 193.457 1.100 10 0 ADAERN CCOC(=O)C=Cc1cc(CC)[nH]n1 687681617 571930718 /nfs/dbraw/zinc/93/07/18/571930718.db2.gz LTWSUCJZBAYYJL-WAYWQWQTSA-N 0 0 194.234 1.548 10 0 ADAERN C[C@]1(O)C(=O)C2CCC1CC2 196150471 571930756 /nfs/dbraw/zinc/93/07/56/571930756.db2.gz ZCNHMQMEEHFUNN-QXUHLLMWSA-N 0 0 154.209 1.127 10 0 ADAERN COC(=O)/C(C)=C\COCC(C)C 214622481 571938056 /nfs/dbraw/zinc/93/80/56/571938056.db2.gz AQMBRKPNHDAHKQ-UITAMQMPSA-N 0 0 186.251 1.778 10 0 ADAERN COC(=O)/C(F)=C\c1cccc(O)c1 687681862 571930813 /nfs/dbraw/zinc/93/08/13/571930813.db2.gz KNPKUODGGWAHJN-RMKNXTFCSA-N 0 0 196.177 1.876 10 0 ADAERN C[C@@]12CCCC(=O)[C@@H]1CCC2=O 196158673 571930846 /nfs/dbraw/zinc/93/08/46/571930846.db2.gz XVZVMVVUGFYUNP-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN CCOC(=O)/C=C\c1noc(CC)n1 687681856 571930848 /nfs/dbraw/zinc/93/08/48/571930848.db2.gz FAETZWSSDCGZJL-WAYWQWQTSA-N 0 0 196.206 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ADAERN [NH3+][C@@H](/C=C\c1cccc(F)c1)C(=O)[O-] 687681719 571931015 /nfs/dbraw/zinc/93/10/15/571931015.db2.gz MGKZVALSTYSDAM-WBSSQXGSSA-N 0 0 195.193 1.251 10 0 ADAERN Cc1ccc([C@@H](F)C(N)=O)cc1 196158120 571931016 /nfs/dbraw/zinc/93/10/16/571931016.db2.gz AEFVXWNTZQEHIC-MRVPVSSYSA-N 0 0 167.183 1.491 10 0 ADAERN COC(=O)/C=C\C=C/[C@@H]1CCCOC1 687681829 571931043 /nfs/dbraw/zinc/93/10/43/571931043.db2.gz UIMNTLBJFXIARC-SNRYGYFMSA-N 0 0 196.246 1.698 10 0 ADAERN C[C@@]12CCCC(=O)[C@H]1CCC2=O 196158688 571931075 /nfs/dbraw/zinc/93/10/75/571931075.db2.gz XVZVMVVUGFYUNP-GMSGAONNSA-N 0 0 166.220 1.725 10 0 ADAERN COC(=O)[C@H](O)CCC1CCCC1 300784531 571931094 /nfs/dbraw/zinc/93/10/94/571931094.db2.gz SBTPCVQAEJSRPJ-SECBINFHSA-N 0 0 186.251 1.491 10 0 ADAERN C[C@]12CCCC(=O)[C@H]1CCC2=O 196158695 571931125 /nfs/dbraw/zinc/93/11/25/571931125.db2.gz XVZVMVVUGFYUNP-XCBNKYQSSA-N 0 0 166.220 1.725 10 0 ADAERN Cc1ccc([C@H](F)C(N)=O)cc1 196158118 571931133 /nfs/dbraw/zinc/93/11/33/571931133.db2.gz 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/nfs/dbraw/zinc/93/12/70/571931270.db2.gz LKLHTNMDRGUJEB-JVLMNHKTSA-N 0 0 196.246 1.698 10 0 ADAERN CCOC(=O)/C=C\c1oc(C)nc1C 687681748 571931275 /nfs/dbraw/zinc/93/12/75/571931275.db2.gz LQNPNTOEXCUSGO-WAYWQWQTSA-N 0 0 195.218 1.868 10 0 ADAERN CCn1nncc1[C@](C)(O)CC1CC1 300798062 571931313 /nfs/dbraw/zinc/93/13/13/571931313.db2.gz DKECDNFMDVBVRT-SNVBAGLBSA-N 0 0 195.266 1.306 10 0 ADAERN CCOC(OCC)[C@H](C)F 687808918 571931360 /nfs/dbraw/zinc/93/13/60/571931360.db2.gz IJXQEORUMVVDBN-LURJTMIESA-N 0 0 150.193 1.744 10 0 ADAERN CC[C@@](C)(O)[C@H](O)C1CCCC1 233963159 571931363 /nfs/dbraw/zinc/93/13/63/571931363.db2.gz OBISAPTUOVGCRO-NXEZZACHSA-N 0 0 172.268 1.699 10 0 ADAERN c1cnc2c(c1)OCc1nccn1-2 39603024 571931423 /nfs/dbraw/zinc/93/14/23/571931423.db2.gz SGZUHQMTPHDGRR-UHFFFAOYSA-N 0 0 173.175 1.160 10 0 ADAERN CCc1c(C)nc(N)nc1SC 39477763 571931446 /nfs/dbraw/zinc/93/14/46/571931446.db2.gz OQGJTPSQSNXBBI-UHFFFAOYSA-N 0 0 183.280 1.652 10 0 ADAERN CC[N@@H+]1CC[C@H](C/C=C/CC(=O)[O-])C1 687682226 571932443 /nfs/dbraw/zinc/93/24/43/571932443.db2.gz DWUDUQNVKCPIIT-FSIBCCDJSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1csc(NC(N)=S)n1 39603306 571932445 /nfs/dbraw/zinc/93/24/45/571932445.db2.gz BYBCWGVPPMADNO-UHFFFAOYSA-N 0 0 173.266 1.107 10 0 ADAERN COc1cn(C)cc1OC 39540379 571931493 /nfs/dbraw/zinc/93/14/93/571931493.db2.gz FWHKWXCMJUSILR-UHFFFAOYSA-N 0 0 141.170 1.042 10 0 ADAERN O=C1C[C@H]2Cc3cc(F)ccc3[C@@H]2N1 39625137 571931502 /nfs/dbraw/zinc/93/15/02/571931502.db2.gz BYXLLTMBWQQHRN-RDDDGLTNSA-N 0 0 191.205 1.559 10 0 ADAERN CC[C@@](C)(O)[C@@H](O)c1cccs1 233962500 571932447 /nfs/dbraw/zinc/93/24/47/571932447.db2.gz OTSGRBPQYLFCCB-DTWKUNHWSA-N 0 0 186.276 1.943 10 0 ADAERN CC1=[NH+][C@H](C)C=C1 39583272 571931608 /nfs/dbraw/zinc/93/16/08/571931608.db2.gz PEJBDAGYSQNIQO-RXMQYKEDSA-N 0 0 95.145 1.406 10 0 ADAERN CCO[C@@H](C)C(=O)C[C@H]1CCCO1 70827985 571931629 /nfs/dbraw/zinc/93/16/29/571931629.db2.gz MMDAQIHSKYPYIH-DTWKUNHWSA-N 0 0 186.251 1.550 10 0 ADAERN CCc1cc(/C=C\C(=O)OC)n(C)n1 687681618 571931645 /nfs/dbraw/zinc/93/16/45/571931645.db2.gz MFVGGAMEEQZYPV-WAYWQWQTSA-N 0 0 194.234 1.169 10 0 ADAERN CC(C)CS/C=C/CO 39603558 571931650 /nfs/dbraw/zinc/93/16/50/571931650.db2.gz BWDYYHNTZMFBNR-HWKANZROSA-N 0 0 146.255 1.882 10 0 ADAERN COc1ccc(NC(=O)[C@H](C)F)cn1 39117313 571939906 /nfs/dbraw/zinc/93/99/06/571939906.db2.gz VAVBMXJAZIJJHR-LURJTMIESA-N 0 0 198.197 1.387 10 0 ADAERN COC(=O)/C(F)=C\c1ccc(O)cc1 687681868 571931689 /nfs/dbraw/zinc/93/16/89/571931689.db2.gz RSFXMOLIDUZAGZ-RMKNXTFCSA-N 0 0 196.177 1.876 10 0 ADAERN COC(=O)C(=O)Cc1cccc(F)c1 687681834 571931712 /nfs/dbraw/zinc/93/17/12/571931712.db2.gz DFIKLKVQJJVLDP-RMKNXTFCSA-N 0 0 196.177 1.898 10 0 ADAERN CCc1c(C)occc1=O 39616533 571931719 /nfs/dbraw/zinc/93/17/19/571931719.db2.gz SJPCKMPTKVOROQ-UHFFFAOYSA-N 0 0 138.166 1.511 10 0 ADAERN CCO[C@H](C)[C@H](O)C[C@@H]1CCCO1 70829735 571931725 /nfs/dbraw/zinc/93/17/25/571931725.db2.gz CDVKBJUCBXJNQA-KXUCPTDWSA-N 0 0 188.267 1.341 10 0 ADAERN Cc1ccc(C)n1CCCCO 235777711 571931756 /nfs/dbraw/zinc/93/17/56/571931756.db2.gz UQMXPELDDORDRI-UHFFFAOYSA-N 0 0 167.252 1.877 10 0 ADAERN CCO[C@H](C)[C@H](O)CCOC(C)C 70829620 571931777 /nfs/dbraw/zinc/93/17/77/571931777.db2.gz CXUOJGJCZJMAMZ-NXEZZACHSA-N 0 0 190.283 1.587 10 0 ADAERN Cc1cc(N)cc2c1OCCC2 39476646 571931797 /nfs/dbraw/zinc/93/17/97/571931797.db2.gz YESWOQUTANRHIU-UHFFFAOYSA-N 0 0 163.220 1.902 10 0 ADAERN CC[C@@](C)(O)[C@@H](O)c1ccoc1 233962547 571931799 /nfs/dbraw/zinc/93/17/99/571931799.db2.gz VXTGGMWBKHTLAI-DTWKUNHWSA-N 0 0 170.208 1.474 10 0 ADAERN CCO[C@H](C)C(=O)CCOC(C)C 70827467 571931809 /nfs/dbraw/zinc/93/18/09/571931809.db2.gz AKTYEGDYFJEJNM-SECBINFHSA-N 0 0 188.267 1.796 10 0 ADAERN CCO[C@H](C)[C@@H](O)[C@@H](C)COC 70828780 571932458 /nfs/dbraw/zinc/93/24/58/571932458.db2.gz BKPVRXCNAAGKGA-YIZRAAEISA-N 0 0 176.256 1.055 10 0 ADAERN CN(CCCO)c1cccc(F)n1 300789555 571931817 /nfs/dbraw/zinc/93/18/17/571931817.db2.gz HDYDELZYQXXFQB-UHFFFAOYSA-N 0 0 184.214 1.039 10 0 ADAERN CCC[C@H](NN)c1ccnn1C(C)C 300799077 571931840 /nfs/dbraw/zinc/93/18/40/571931840.db2.gz VZJFIYLFRNNYRS-VIFPVBQESA-N 0 0 196.298 1.769 10 0 ADAERN C[C@@H]1CNc2cccnc2N1C1CC1 687808783 571931845 /nfs/dbraw/zinc/93/18/45/571931845.db2.gz JZBWIPKYIXZROH-MRVPVSSYSA-N 0 0 189.262 1.864 10 0 ADAERN CCO[C@H](C)[C@@H](O)C[C@@H]1CCCO1 70829742 571931878 /nfs/dbraw/zinc/93/18/78/571931878.db2.gz CDVKBJUCBXJNQA-UTLUCORTSA-N 0 0 188.267 1.341 10 0 ADAERN CC[C@@](C)(O)[C@H](O)C1CCC1 233963154 571931889 /nfs/dbraw/zinc/93/18/89/571931889.db2.gz BCRSWHLUAGMCRZ-RKDXNWHRSA-N 0 0 158.241 1.308 10 0 ADAERN CC[C@@](C)(O)[C@H](O)Cc1cccnc1 233963993 571931897 /nfs/dbraw/zinc/93/18/97/571931897.db2.gz KMGFFZSJSGQUPV-GHMZBOCLSA-N 0 0 195.262 1.146 10 0 ADAERN CCC(CC)C(=O)Nc1ncns1 170208193 571931932 /nfs/dbraw/zinc/93/19/32/571931932.db2.gz GXVNQVURISQTOT-UHFFFAOYSA-N 0 0 199.279 1.913 10 0 ADAERN CCCC1(CNc2cnnn2C)CC1 300797805 571932467 /nfs/dbraw/zinc/93/24/67/571932467.db2.gz CPBHKJIZNKSDMC-UHFFFAOYSA-N 0 0 194.282 1.807 10 0 ADAERN COc1ccc([C@@H](O)CSC)cn1 401342408 571931995 /nfs/dbraw/zinc/93/19/95/571931995.db2.gz VVJDSVJUGREDFN-QMMMGPOBSA-N 0 0 199.275 1.487 10 0 ADAERN O=C1CCc2ccc(=O)ccc21 39477859 571932024 /nfs/dbraw/zinc/93/20/24/571932024.db2.gz AETFSKMXKMOCAR-UHFFFAOYSA-N 0 0 160.172 1.176 10 0 ADAERN CC[C@@H]1OCC[C@H]1[C@@H](O)C(C)C 233962603 571931958 /nfs/dbraw/zinc/93/19/58/571931958.db2.gz ZGHDVZCWISGIJI-UTLUCORTSA-N 0 0 172.268 1.818 10 0 ADAERN CCO[C@H](C)C(=O)[C@H](C)COC 70827633 571931965 /nfs/dbraw/zinc/93/19/65/571931965.db2.gz HWYNOLMZBHSLJC-HTQZYQBOSA-N 0 0 174.240 1.263 10 0 ADAERN C[C@H](O)[C@H]1CC(c2ccccc2)=NO1 39593240 571932061 /nfs/dbraw/zinc/93/20/61/571932061.db2.gz QKHZHBZGPDGOAG-GZMMTYOYSA-N 0 0 191.230 1.560 10 0 ADAERN CSc1cc2cnc(C)n2c(=O)[nH]1 39613885 571932079 /nfs/dbraw/zinc/93/20/79/571932079.db2.gz HVKNVLSCRAUGNL-UHFFFAOYSA-N 0 0 195.247 1.465 10 0 ADAERN CC1(C)Oc2cc(N)c(N)cc2O1 39615239 571932089 /nfs/dbraw/zinc/93/20/89/571932089.db2.gz XVDALGPRSWNTNW-UHFFFAOYSA-N 0 0 180.207 1.358 10 0 ADAERN CC[C@@](C)(O)[C@H](O)C1=CCCCO1 233963116 571932151 /nfs/dbraw/zinc/93/21/51/571932151.db2.gz BUGFJBJADKCJNJ-NXEZZACHSA-N 0 0 186.251 1.203 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1C/C=C/CC(=O)[O-] 687682216 571932172 /nfs/dbraw/zinc/93/21/72/571932172.db2.gz SLRJVVYZHSKHKZ-PBKGFPTLSA-N 0 0 197.278 1.892 10 0 ADAERN CCC(C)(C)CC[NH+]1CC(C(=O)[O-])C1 711253275 571932181 /nfs/dbraw/zinc/93/21/81/571932181.db2.gz IMCMRJNRGHWLJW-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)CP(C)(=O)CC(C)=O 39616965 571932426 /nfs/dbraw/zinc/93/24/26/571932426.db2.gz KGORNRCCHKFRAK-UHFFFAOYSA-N 0 0 176.152 1.157 10 0 ADAERN CCOCCC(=O)[C@H](C)OCC 70827789 571932216 /nfs/dbraw/zinc/93/22/16/571932216.db2.gz FMZGCAZCONWCPX-QMMMGPOBSA-N 0 0 174.240 1.407 10 0 ADAERN CC[C@@](C)(O)[C@H](O)CC1CC1 233963214 571932248 /nfs/dbraw/zinc/93/22/48/571932248.db2.gz IYGCBBWWVMRCQK-RKDXNWHRSA-N 0 0 158.241 1.308 10 0 ADAERN 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CC(C)[N@@H+]1CCC[C@H]1/C=C/CC(=O)[O-] 687682243 571932722 /nfs/dbraw/zinc/93/27/22/571932722.db2.gz OAUDHIDYUJBEAJ-RXNUUUNCSA-N 0 0 197.278 1.890 10 0 ADAERN CCO[C@H](C)[C@@H](O)CCOC(C)C 70829627 571932730 /nfs/dbraw/zinc/93/27/30/571932730.db2.gz CXUOJGJCZJMAMZ-ZJUUUORDSA-N 0 0 190.283 1.587 10 0 ADAERN CCO[C@H](C)C(=O)[C@@H]1CCOC1 70828167 571932759 /nfs/dbraw/zinc/93/27/59/571932759.db2.gz MTSIKVUGRNSMPO-HTQZYQBOSA-N 0 0 172.224 1.017 10 0 ADAERN CCC(=O)[C@@H](C)[C@H](O)c1ccco1 34618493 571932778 /nfs/dbraw/zinc/93/27/78/571932778.db2.gz XFDROTAYFOIGEZ-XCBNKYQSSA-N 0 0 182.219 1.928 10 0 ADAERN CCO[C@@H](C)C(=O)[C@H](C)COC 70827630 571932810 /nfs/dbraw/zinc/93/28/10/571932810.db2.gz HWYNOLMZBHSLJC-SFYZADRCSA-N 0 0 174.240 1.263 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@H]1/C=C/C(=O)[O-] 687682128 571932825 /nfs/dbraw/zinc/93/28/25/571932825.db2.gz FNEJTXSNTXCUPU-FGEFZZPRSA-N 0 0 197.278 1.890 10 0 ADAERN CCO[C@H](C)C(=O)[C@@H](C)COC 70827626 571932873 /nfs/dbraw/zinc/93/28/73/571932873.db2.gz 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/nfs/dbraw/zinc/93/29/40/571932940.db2.gz GWBSCOKVLHUIHQ-UHFFFAOYSA-N 0 0 133.150 1.855 10 0 ADAERN CCOC(=O)C(C)(C)[S@@](=O)CC 196073353 571932951 /nfs/dbraw/zinc/93/29/51/571932951.db2.gz IIAILDALNSIBBK-LBPRGKRZSA-N 0 0 192.280 1.097 10 0 ADAERN CC(C)(C)C(=O)Nc1ncns1 170216407 571932958 /nfs/dbraw/zinc/93/29/58/571932958.db2.gz ZPJYXIUZTVOAON-UHFFFAOYSA-N 0 0 185.252 1.523 10 0 ADAERN CCNC(=O)/C=C\c1cccnc1 214615507 571932961 /nfs/dbraw/zinc/93/29/61/571932961.db2.gz FOOMTDGINKPGII-WAYWQWQTSA-N 0 0 176.219 1.231 10 0 ADAERN O=C1C[C@H]2Cc3ccc(F)cc3[C@H]2N1 39625148 571932962 /nfs/dbraw/zinc/93/29/62/571932962.db2.gz CNNXUPJPZYRJHP-HQJQHLMTSA-N 0 0 191.205 1.559 10 0 ADAERN Cc1ccccc1C(=O)CCCO 235778852 571932972 /nfs/dbraw/zinc/93/29/72/571932972.db2.gz NGSQHNLJOUDJPR-UHFFFAOYSA-N 0 0 178.231 1.950 10 0 ADAERN CCO[C@H](C)C(=O)C[C@@H]1CCCO1 70827980 571932987 /nfs/dbraw/zinc/93/29/87/571932987.db2.gz MMDAQIHSKYPYIH-BDAKNGLRSA-N 0 0 186.251 1.550 10 0 ADAERN NC(=S)c1ccncc1OC1CC1 713131055 571932999 /nfs/dbraw/zinc/93/29/99/571932999.db2.gz OWDXYCQPSTZSKC-UHFFFAOYSA-N 0 0 194.259 1.257 10 0 ADAERN CC[C@@H](NN)c1ccnn1C(C)C 300800409 571933140 /nfs/dbraw/zinc/93/31/40/571933140.db2.gz WDUAUQLEEZYQNR-MRVPVSSYSA-N 0 0 182.271 1.378 10 0 ADAERN CCO[C@@H](C)C(=O)[C@@H](C)COC 70827623 571933151 /nfs/dbraw/zinc/93/31/51/571933151.db2.gz HWYNOLMZBHSLJC-YUMQZZPRSA-N 0 0 174.240 1.263 10 0 ADAERN CC(C)[C@]1(O)CC[C@@H](C)C[C@H]1O 39615471 571933173 /nfs/dbraw/zinc/93/31/73/571933173.db2.gz OOJJEXXELQNXDL-OPRDCNLKSA-N 0 0 172.268 1.554 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H]1C/C=C/C(=O)[O-] 687682100 571935167 /nfs/dbraw/zinc/93/51/67/571935167.db2.gz FPVFIQWXSFJDOO-HTZNOQTFSA-N 0 0 197.278 1.890 10 0 ADAERN CC(=O)Nc1noc(C)c1Cl 39613027 571933180 /nfs/dbraw/zinc/93/31/80/571933180.db2.gz XOYGCPYJRMAIEA-UHFFFAOYSA-N 0 0 174.587 1.595 10 0 ADAERN CCC(=O)C(=O)CC 148382129 571933213 /nfs/dbraw/zinc/93/32/13/571933213.db2.gz ZYXQFVIQXIIONQ-WAYWQWQTSA-N 0 0 114.144 1.910 10 0 ADAERN 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571936886 /nfs/dbraw/zinc/93/68/86/571936886.db2.gz PMOMFPWBJNQKKA-NSHDSACASA-N 0 0 188.230 1.686 10 0 ADAERN CC[C@@H]1OCC[C@H]1c1cnc(CN)o1 233968129 571936887 /nfs/dbraw/zinc/93/68/87/571936887.db2.gz YKYIKHZFWZEFDB-SFYZADRCSA-N 0 0 196.250 1.416 10 0 ADAERN CC[N@@H+]1CCC[C@H]1C/C=C/CC(=O)[O-] 687682241 571933647 /nfs/dbraw/zinc/93/36/47/571933647.db2.gz NCWZSVJRMIKTRA-HMDXOVGESA-N 0 0 197.278 1.892 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H](/C=C/C(=O)[O-])C1 687682149 571933676 /nfs/dbraw/zinc/93/36/76/571933676.db2.gz XXDYHKWMXVTYRV-PORFMDCZSA-N 0 0 197.278 1.748 10 0 ADAERN CCO[C@@H](C)[C@@H](O)c1ccc(C)nc1 70829229 571933677 /nfs/dbraw/zinc/93/36/77/571933677.db2.gz YKYRGRHWSYSLGH-GXSJLCMTSA-N 0 0 195.262 1.848 10 0 ADAERN CCOC(=O)/C=C/C=C1/CCCOC1 300800402 571933678 /nfs/dbraw/zinc/93/36/78/571933678.db2.gz VJCXWKWELVUOHP-FYGSGOMSSA-N 0 0 196.246 1.843 10 0 ADAERN CC[N@@H+]1CCCC[C@@H]1C/C=C/C(=O)[O-] 687682105 571933685 /nfs/dbraw/zinc/93/36/85/571933685.db2.gz JLDPUWAQEMKKSH-VHODGJRUSA-N 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571935414 /nfs/dbraw/zinc/93/54/14/571935414.db2.gz TYBRSXBOVSCECS-NKWVEPMBSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@H]1CCCCN1C#N 39648061 571935416 /nfs/dbraw/zinc/93/54/16/571935416.db2.gz BXEASFYXQCYZTR-ZETCQYMHSA-N 0 0 124.187 1.342 10 0 ADAERN CC[N@@H+]1CCC[C@H](C/C=C/C(=O)[O-])C1 687682107 571935540 /nfs/dbraw/zinc/93/55/40/571935540.db2.gz NJBZTUVRMLIUTA-HTZNOQTFSA-N 0 0 197.278 1.749 10 0 ADAERN OC/C=C/[C@H](O)C1CCCCC1 39647939 571935592 /nfs/dbraw/zinc/93/55/92/571935592.db2.gz YSMHVTCHULFELD-QBBOHKLWSA-N 0 0 170.252 1.476 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](/C=C/CC(=O)[O-])C1 687682228 571935626 /nfs/dbraw/zinc/93/56/26/571935626.db2.gz GGTCYWUUWDAITF-FSIBCCDJSA-N 0 0 197.278 1.748 10 0 ADAERN Nc1cc(=O)cc2n1CCCCC2 39643678 571935629 /nfs/dbraw/zinc/93/56/29/571935629.db2.gz ULPNNHGCLRCGRN-UHFFFAOYSA-N 0 0 178.235 1.157 10 0 ADAERN CCCCOc1nc(C)cc(CO)n1 300803074 571935633 /nfs/dbraw/zinc/93/56/33/571935633.db2.gz BBHFYWJFTDOZNM-UHFFFAOYSA-N 0 0 196.250 1.456 10 0 ADAERN O=C1C[C@H]2Cc3c(F)cccc3[C@@H]2N1 39625155 571935653 /nfs/dbraw/zinc/93/56/53/571935653.db2.gz YAYXKDWKJPPSOM-KSBSHMNSSA-N 0 0 191.205 1.559 10 0 ADAERN O=C1C[C@@H]2Cc3c(F)cccc3[C@H]2N1 39625151 571935657 /nfs/dbraw/zinc/93/56/57/571935657.db2.gz YAYXKDWKJPPSOM-KGFZYKRKSA-N 0 0 191.205 1.559 10 0 ADAERN C[C@H]1CC[C@H](C)C1O 39629493 571935708 /nfs/dbraw/zinc/93/57/08/571935708.db2.gz DJGMEPWATAGUNV-WDSKDSINSA-N 0 0 114.188 1.413 10 0 ADAERN CC1(C)C[C@H](O)C(C)(C)CC1=O 39633531 571935745 /nfs/dbraw/zinc/93/57/45/571935745.db2.gz PHGXUWAIOKATKD-ZETCQYMHSA-N 0 0 170.252 1.763 10 0 ADAERN N#CNc1cccc(OC#N)c1 139120971 571935775 /nfs/dbraw/zinc/93/57/75/571935775.db2.gz CYKHONLQRKGMNT-UHFFFAOYSA-N 0 0 159.148 1.439 10 0 ADAERN O=C1C=C[C@H](O)c2ccccc2N1 39648442 571935779 /nfs/dbraw/zinc/93/57/79/571935779.db2.gz HFULNXMRWJJEEW-VIFPVBQESA-N 0 0 175.187 1.228 10 0 ADAERN Cc1ccc(S(=O)(=O)C2CC2)cc1 39647912 571935830 /nfs/dbraw/zinc/93/58/30/571935830.db2.gz IGNIHXHDKRQWSK-UHFFFAOYSA-N 0 0 196.271 1.931 10 0 ADAERN CC[C@@](C)(O)[C@H](O)c1cnccc1C 233965147 571935861 /nfs/dbraw/zinc/93/58/61/571935861.db2.gz UVLMTKHTEMRKPH-GHMZBOCLSA-N 0 0 195.262 1.584 10 0 ADAERN C/C=C/C[C@H](C)NC(=O)OC 39644052 571935873 /nfs/dbraw/zinc/93/58/73/571935873.db2.gz JQKHCAAPRWQKEQ-KPJROHGDSA-N 0 0 157.213 1.697 10 0 ADAERN C/C=C/CC(=N)OCC 138945420 571935936 /nfs/dbraw/zinc/93/59/36/571935936.db2.gz UAHWYCXBDJQEBY-YGPBDPHVSA-N 0 0 127.187 1.966 10 0 ADAERN CCC(CC)COc1nccnc1N 300802289 571935971 /nfs/dbraw/zinc/93/59/71/571935971.db2.gz FESTVBSBWVTJKZ-UHFFFAOYSA-N 0 0 195.266 1.874 10 0 ADAERN C/C=C/C[C@@H](C)NC(=O)OC 39644051 571935986 /nfs/dbraw/zinc/93/59/86/571935986.db2.gz JQKHCAAPRWQKEQ-SMMXGFFBSA-N 0 0 157.213 1.697 10 0 ADAERN CCCNc1n[nH]c(SC)n1 39648859 571935999 /nfs/dbraw/zinc/93/59/99/571935999.db2.gz SYTXANIDABIUDE-UHFFFAOYSA-N 0 0 172.257 1.349 10 0 ADAERN OC[C@@H]1O[C@@H]1C1CCCCC1 39646404 571936022 /nfs/dbraw/zinc/93/60/22/571936022.db2.gz JHPCIQWUOSMNLK-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@@](C)(O)[C@H](O)c1cccnc1 233965022 571936023 /nfs/dbraw/zinc/93/60/23/571936023.db2.gz IREONAXIFZTRQJ-NXEZZACHSA-N 0 0 181.235 1.276 10 0 ADAERN CCOCc1cnc(C)cn1 39648349 571936026 /nfs/dbraw/zinc/93/60/26/571936026.db2.gz ACCAPTMHMGGYAA-UHFFFAOYSA-N 0 0 152.197 1.322 10 0 ADAERN CCNc1ncccc1NC 39648805 571936030 /nfs/dbraw/zinc/93/60/30/571936030.db2.gz SBNWCRQCCVEOGB-UHFFFAOYSA-N 0 0 151.213 1.555 10 0 ADAERN NSc1nccnc1Cl 39626086 571936048 /nfs/dbraw/zinc/93/60/48/571936048.db2.gz XUBLZOMOIVKQKX-UHFFFAOYSA-N 0 0 161.617 1.096 10 0 ADAERN CC1(OCCCC(F)(F)F)C[NH2+]C1 214635953 571936070 /nfs/dbraw/zinc/93/60/70/571936070.db2.gz MESGGULSZGCTEM-UHFFFAOYSA-N 0 0 197.200 1.707 10 0 ADAERN CCC[C@H](OC)[C@H](O)[C@@H](C)COC 687684062 571936078 /nfs/dbraw/zinc/93/60/78/571936078.db2.gz AAKSCJAPAYDARO-LPEHRKFASA-N 0 0 190.283 1.445 10 0 ADAERN CCN1C(=O)[C@H]2[C@H](C)CCCN2C1=O 233967863 571936092 /nfs/dbraw/zinc/93/60/92/571936092.db2.gz KLTYCFXEQAYBCI-HTQZYQBOSA-N 0 0 196.250 1.069 10 0 ADAERN C/C=C/[C@H]1OC(=O)N[C@@H]1C 39641554 571936129 /nfs/dbraw/zinc/93/61/29/571936129.db2.gz CZSGRATYTPYMPP-BYVKAKODSA-N 0 0 141.170 1.059 10 0 ADAERN CCN1C(=O)[C@@H]2[C@H](C)CCCN2C1=O 233967642 571936151 /nfs/dbraw/zinc/93/61/51/571936151.db2.gz KLTYCFXEQAYBCI-SFYZADRCSA-N 0 0 196.250 1.069 10 0 ADAERN CCCC[C@H](O)/C=C/[C@@H](C)O 34621802 571936156 /nfs/dbraw/zinc/93/61/56/571936156.db2.gz QKXJNQWQCGULNC-BXELRRQVSA-N 0 0 158.241 1.475 10 0 ADAERN C/C=C/[C@H]1OC(=O)N[C@H]1C 39641552 571936176 /nfs/dbraw/zinc/93/61/76/571936176.db2.gz CZSGRATYTPYMPP-NBZFHMRBSA-N 0 0 141.170 1.059 10 0 ADAERN OC/C=C/[C@@H](O)C1CCCCC1 39647938 571936187 /nfs/dbraw/zinc/93/61/87/571936187.db2.gz YSMHVTCHULFELD-LJJSCBMDSA-N 0 0 170.252 1.476 10 0 ADAERN CCc1occc1[C@H](C)O 234276896 571936191 /nfs/dbraw/zinc/93/61/91/571936191.db2.gz FKKUYKSKSYYLBF-LURJTMIESA-N 0 0 140.182 1.895 10 0 ADAERN Cc1ncc2c(n1)CSCC2=O 39630177 571936194 /nfs/dbraw/zinc/93/61/94/571936194.db2.gz ZYZRYMSXTMRFBI-UHFFFAOYSA-N 0 0 180.232 1.215 10 0 ADAERN CC(C)n1nccc1[C@@H](NN)C1CC1 300802606 571936214 /nfs/dbraw/zinc/93/62/14/571936214.db2.gz WNSQCMPJGAXAAO-JTQLQIEISA-N 0 0 194.282 1.378 10 0 ADAERN CCN1C(=O)[C@H]2[C@@H](C)CCCN2C1=O 233967849 571936264 /nfs/dbraw/zinc/93/62/64/571936264.db2.gz KLTYCFXEQAYBCI-JGVFFNPUSA-N 0 0 196.250 1.069 10 0 ADAERN CC1(C)OC[C@H](CC/C=C/CO)O1 34622246 571936271 /nfs/dbraw/zinc/93/62/71/571936271.db2.gz QVUOFMQMMITWOW-SGRBOOSSSA-N 0 0 186.251 1.467 10 0 ADAERN Cc1ccc(C(=O)CC[NH+](C)C)cn1 167780848 571939910 /nfs/dbraw/zinc/93/99/10/571939910.db2.gz FXABONJZRNIFLI-UHFFFAOYSA-N 0 0 192.262 1.524 10 0 ADAERN O=c1c(CO)csc2ccccc12 39651539 571936289 /nfs/dbraw/zinc/93/62/89/571936289.db2.gz XKMBIEGQWHOZET-UHFFFAOYSA-N 0 0 192.239 1.754 10 0 ADAERN Cc1nonc1C(=O)c1ccccc1 39644208 571936314 /nfs/dbraw/zinc/93/63/14/571936314.db2.gz PQLLQNBEEQNDCB-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN CCOC(=O)/C=C\[C@H]1CCC=CO1 34622160 571936329 /nfs/dbraw/zinc/93/63/29/571936329.db2.gz DFWYJUDLENYBAJ-ATJFRQLMSA-N 0 0 182.219 1.798 10 0 ADAERN COC(=O)/C=C/CCC[C@H](C)O 34622001 571936344 /nfs/dbraw/zinc/93/63/44/571936344.db2.gz MQPKDULUFNUYLN-IVGLGHLBSA-N 0 0 172.224 1.267 10 0 ADAERN C=CC1=CCC[C@H]1O 39644106 571936351 /nfs/dbraw/zinc/93/63/51/571936351.db2.gz SGGYCQUJVSDNFD-SSDOTTSWSA-N 0 0 110.156 1.254 10 0 ADAERN CCN(C(C)=O)c1ccc(O)cc1 39650277 571936438 /nfs/dbraw/zinc/93/64/38/571936438.db2.gz HOOMLKBNDSTSFU-UHFFFAOYSA-N 0 0 179.219 1.765 10 0 ADAERN C[C@H]([NH2+]C(C)(C)C1CC1)C(=O)[O-] 235501898 571936449 /nfs/dbraw/zinc/93/64/49/571936449.db2.gz WQJCUEGTLBEIHE-LURJTMIESA-N 0 0 171.240 1.238 10 0 ADAERN CCN1C(=O)[C@@H]2[C@@H](C)CCCN2C1=O 233967632 571936455 /nfs/dbraw/zinc/93/64/55/571936455.db2.gz KLTYCFXEQAYBCI-YUMQZZPRSA-N 0 0 196.250 1.069 10 0 ADAERN CCO[C@H]1Oc2cccc(O)c2O1 39648416 571936513 /nfs/dbraw/zinc/93/65/13/571936513.db2.gz KMXKDEWSUQYXRI-VIFPVBQESA-N 0 0 182.175 1.484 10 0 ADAERN CC(=O)O/C=C\c1ccccc1O 113826331 571936536 /nfs/dbraw/zinc/93/65/36/571936536.db2.gz PXODXITYVVOJFT-SREVYHEPSA-N 0 0 178.187 1.926 10 0 ADAERN CC[C@@H](/C=C/C(=O)OC)OC 34621799 571936550 /nfs/dbraw/zinc/93/65/50/571936550.db2.gz JTBLCCFHTSLONP-XPPMVYLVSA-N 0 0 158.197 1.141 10 0 ADAERN NC(=O)OCC1CCCC1 79235534 571936561 /nfs/dbraw/zinc/93/65/61/571936561.db2.gz DRAOLRRXKAPIQB-UHFFFAOYSA-N 0 0 143.186 1.272 10 0 ADAERN CCOC(=O)[C@H]1C[C@H]1C(=O)CC 97758957 571936578 /nfs/dbraw/zinc/93/65/78/571936578.db2.gz RWZLWGYDDFAYAA-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN C[C@H]([NH2+]C(C)(C)C1CC1)[C@@H](C)C(=O)[O-] 235501936 571936597 /nfs/dbraw/zinc/93/65/97/571936597.db2.gz NZEXARMNJLDZFZ-SFYZADRCSA-N 0 0 199.294 1.874 10 0 ADAERN COC1(O)CCCCC1 113828414 571936602 /nfs/dbraw/zinc/93/66/02/571936602.db2.gz SSOZBCCITNPUMJ-UHFFFAOYSA-N 0 0 130.187 1.286 10 0 ADAERN CSC[C@@H](C)C(=O)c1ccnn1C 300804186 571939928 /nfs/dbraw/zinc/93/99/28/571939928.db2.gz DIKNXENDBCYJSP-SSDOTTSWSA-N 0 0 198.291 1.602 10 0 ADAERN COC[C@@H](C)C(=O)CC(F)(F)F 69904381 571939932 /nfs/dbraw/zinc/93/99/32/571939932.db2.gz GXUTTZZMHSMIGG-RXMQYKEDSA-N 0 0 184.157 1.790 10 0 ADAERN CC[C@@](C)(O)[C@H](O)c1cccs1 233965046 571936679 /nfs/dbraw/zinc/93/66/79/571936679.db2.gz OTSGRBPQYLFCCB-RKDXNWHRSA-N 0 0 186.276 1.943 10 0 ADAERN CC[C@@](C)(O)[C@H](O)c1ccncc1F 233965064 571936684 /nfs/dbraw/zinc/93/66/84/571936684.db2.gz YPHDSORNJJULGC-NXEZZACHSA-N 0 0 199.225 1.415 10 0 ADAERN CC[C@@H](C)c1ccc(=O)[nH]c1 39644047 571936686 /nfs/dbraw/zinc/93/66/86/571936686.db2.gz URJCXXHOPXMGRM-SSDOTTSWSA-N 0 0 151.209 1.888 10 0 ADAERN COC(=O)/C=C/CCC[C@@H](C)O 34622002 571936689 /nfs/dbraw/zinc/93/66/89/571936689.db2.gz MQPKDULUFNUYLN-WVXIBAHESA-N 0 0 172.224 1.267 10 0 ADAERN CCOC(=O)/C=C\[C@@H]1CCC=CO1 34622159 571936737 /nfs/dbraw/zinc/93/67/37/571936737.db2.gz DFWYJUDLENYBAJ-NMTCXDENSA-N 0 0 182.219 1.798 10 0 ADAERN CC[C@@](C)(O)[C@H](O)c1cncc(C)c1 233965108 571936747 /nfs/dbraw/zinc/93/67/47/571936747.db2.gz SQFAQCZKTWJJOL-GHMZBOCLSA-N 0 0 195.262 1.584 10 0 ADAERN C[C@@H]1CC[C@@H](C)C1O 39629495 571936752 /nfs/dbraw/zinc/93/67/52/571936752.db2.gz DJGMEPWATAGUNV-PHDIDXHHSA-N 0 0 114.188 1.413 10 0 ADAERN c1cnc2c(c1)ncc1cccn12 39648734 571936776 /nfs/dbraw/zinc/93/67/76/571936776.db2.gz XUEQVFUZEBFWGG-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN O=C1C=C[C@@H](O)c2ccccc2N1 39648440 571936793 /nfs/dbraw/zinc/93/67/93/571936793.db2.gz HFULNXMRWJJEEW-SECBINFHSA-N 0 0 175.187 1.228 10 0 ADAERN O=C1C[C@H]2Cc3c(F)cccc3[C@H]2N1 39625152 571936821 /nfs/dbraw/zinc/93/68/21/571936821.db2.gz YAYXKDWKJPPSOM-KBUNVGBDSA-N 0 0 191.205 1.559 10 0 ADAERN COC(CC[C@@H](C)CCO)OC 34622055 571936825 /nfs/dbraw/zinc/93/68/25/571936825.db2.gz SPMXJCJBWCJJFC-MRVPVSSYSA-N 0 0 176.256 1.404 10 0 ADAERN CC[C@@H](C)C(=O)CC1OCCO1 233968807 571936829 /nfs/dbraw/zinc/93/68/29/571936829.db2.gz AIJGUHOPONQUKE-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN C[C@H](O)c1ccccc1CCO 39631454 571936850 /nfs/dbraw/zinc/93/68/50/571936850.db2.gz VREJMOWXVLDMQO-QMMMGPOBSA-N 0 0 166.220 1.275 10 0 ADAERN CN(C)CC(=O)Cc1cccs1 79272297 571936939 /nfs/dbraw/zinc/93/69/39/571936939.db2.gz WXYACWFTPNMQEW-UHFFFAOYSA-N 0 0 183.276 1.421 10 0 ADAERN CCc1onc(C)c1C(C)=O 39628356 571937004 /nfs/dbraw/zinc/93/70/04/571937004.db2.gz UDTWKKWQMYQNNF-UHFFFAOYSA-N 0 0 153.181 1.748 10 0 ADAERN CC[C@@](C)(O)c1ncccc1OC 233965877 571937008 /nfs/dbraw/zinc/93/70/08/571937008.db2.gz RVCCBBATBFDBHX-SNVBAGLBSA-N 0 0 181.235 1.708 10 0 ADAERN CC[C@@H]1OCC[C@H]1[C@@H](O)c1ccc[nH]1 233966390 571937037 /nfs/dbraw/zinc/93/70/37/571937037.db2.gz WEPKNBWKTNJKOV-DVVUODLYSA-N 0 0 195.262 1.863 10 0 ADAERN CCc1nncn1-c1ccccc1 39629597 571937039 /nfs/dbraw/zinc/93/70/39/571937039.db2.gz BOOBRRMBQIAEKJ-UHFFFAOYSA-N 0 0 173.219 1.830 10 0 ADAERN O=C1N[C@@H]2CC=CC[C@H]2CO1 39650788 571937082 /nfs/dbraw/zinc/93/70/82/571937082.db2.gz NUFHTZDANBNUED-NKWVEPMBSA-N 0 0 153.181 1.061 10 0 ADAERN CC[C@@](C)(O)[C@H](O)c1ccsc1 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571940312 /nfs/dbraw/zinc/94/03/12/571940312.db2.gz VIEVNJJGKPWHDA-SECBINFHSA-N 0 0 184.239 1.189 10 0 ADAERN CCOCC[C@H](O)C(C)(C)SC 687684462 571940317 /nfs/dbraw/zinc/94/03/17/571940317.db2.gz IWKNHYXPEIMIGD-QMMMGPOBSA-N 0 0 192.324 1.916 10 0 ADAERN CC(C)CN(C)[S@](=O)C(C)C 221145941 571940318 /nfs/dbraw/zinc/94/03/18/571940318.db2.gz CZKZELXXIXFXLE-LLVKDONJSA-N 0 0 177.313 1.646 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1ncc(C)cn1 687685090 571940425 /nfs/dbraw/zinc/94/04/25/571940425.db2.gz YAZCKBBXWXNZFI-RKDXNWHRSA-N 0 0 196.250 1.101 10 0 ADAERN CC(C)(C)N1C(=O)N=NC1=O 39773664 571940435 /nfs/dbraw/zinc/94/04/35/571940435.db2.gz XVBOCKQTNRJDKD-UHFFFAOYSA-N 0 0 155.157 1.793 10 0 ADAERN Cc1cnc([C@H](O)C(F)(F)F)nc1 687685074 571940453 /nfs/dbraw/zinc/94/04/53/571940453.db2.gz XUFLFKNYRWADQO-YFKPBYRVSA-N 0 0 192.140 1.381 10 0 ADAERN Cc1cnc([C@@H](O)C(F)(F)F)nc1 687685073 571941005 /nfs/dbraw/zinc/94/10/05/571941005.db2.gz XUFLFKNYRWADQO-RXMQYKEDSA-N 0 0 192.140 1.381 10 0 ADAERN CC[C@](C)(OC)[C@H](O)[C@H](C)COC 687684645 571940479 /nfs/dbraw/zinc/94/04/79/571940479.db2.gz PATRZZXHHRSYJN-BBBLOLIVSA-N 0 0 190.283 1.445 10 0 ADAERN CO[C@@H](C1CC1)[C@H](O)C(F)(F)F 687684114 571942179 /nfs/dbraw/zinc/94/21/79/571942179.db2.gz BKDRVKRSBPTAKY-WDSKDSINSA-N 0 0 184.157 1.335 10 0 ADAERN COC[C@@H](C)[C@@H](O)C(C)(C)OC 687685402 571940495 /nfs/dbraw/zinc/94/04/95/571940495.db2.gz WUWQJJNICPZQTQ-HTQZYQBOSA-N 0 0 176.256 1.055 10 0 ADAERN C/C(=C/C[NH2+][C@@H](C)C1CCC1)C(=O)[O-] 235512064 571940532 /nfs/dbraw/zinc/94/05/32/571940532.db2.gz UGFDVPMVECDWPU-XZLDQRQTSA-N 0 0 197.278 1.796 10 0 ADAERN C[C@H](N)c1nnc(NCCC2CC2)o1 235514470 571940535 /nfs/dbraw/zinc/94/05/35/571940535.db2.gz GYLBMQZXZWWCHX-LURJTMIESA-N 0 0 196.254 1.301 10 0 ADAERN COC[C@H](C)[C@H](O)c1ncc(C)cn1 687685089 571940539 /nfs/dbraw/zinc/94/05/39/571940539.db2.gz YAZCKBBXWXNZFI-IUCAKERBSA-N 0 0 196.250 1.101 10 0 ADAERN COC[C@H](C)[C@@H](O)c1cccc(N)c1 687684525 571940543 /nfs/dbraw/zinc/94/05/43/571940543.db2.gz KKZDOQGWIYISKM-GZMMTYOYSA-N 0 0 195.262 1.585 10 0 ADAERN CC(C)CN[S@@](=O)c1ccccn1 39122203 571940544 /nfs/dbraw/zinc/94/05/44/571940544.db2.gz ZWEYUUONNIYJOD-CYBMUJFWSA-N 0 0 198.291 1.350 10 0 ADAERN CC[NH2+][C@H](CCOC)c1ccncn1 70543385 571940545 /nfs/dbraw/zinc/94/05/45/571940545.db2.gz WSOKNTZXLBXOML-SNVBAGLBSA-N 0 0 195.266 1.164 10 0 ADAERN C[C@H](NCc1cccnn1)C(F)F 235509754 571940547 /nfs/dbraw/zinc/94/05/47/571940547.db2.gz XATQPYNPSQMZSU-LURJTMIESA-N 0 0 187.193 1.220 10 0 ADAERN COC[C@@H](C)[C@H](O)C1(OC)CCC1 687684506 571940556 /nfs/dbraw/zinc/94/05/56/571940556.db2.gz JUGRRGXJRNSDEL-BDAKNGLRSA-N 0 0 188.267 1.199 10 0 ADAERN COCCOCC[C@H](O)[C@H]1C[C@H]1C 687684329 571940559 /nfs/dbraw/zinc/94/05/59/571940559.db2.gz GVWPINHMQAIYES-UTLUCORTSA-N 0 0 188.267 1.056 10 0 ADAERN CCOCC[C@@H](O)C(C)(C)SC 687684461 571941168 /nfs/dbraw/zinc/94/11/68/571941168.db2.gz IWKNHYXPEIMIGD-MRVPVSSYSA-N 0 0 192.324 1.916 10 0 ADAERN CCOC(=O)NC[C@@H]1C=CC=CC1 39126258 571941169 /nfs/dbraw/zinc/94/11/69/571941169.db2.gz LESRSEWQWHPOMK-SECBINFHSA-N 0 0 181.235 1.865 10 0 ADAERN O[C@@H]1CC[C@H]1C[C@H]1CCCOC1 689426251 571940564 /nfs/dbraw/zinc/94/05/64/571940564.db2.gz OYVXFSFWYMQQMU-KXUCPTDWSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1cnc2c(ccn2C)n1 520890528 571940565 /nfs/dbraw/zinc/94/05/65/571940565.db2.gz NLHZQEPOPKNMLO-UHFFFAOYSA-N 0 0 147.181 1.277 10 0 ADAERN CN(C)P(c1ccncc1)N(C)C 39117078 571940568 /nfs/dbraw/zinc/94/05/68/571940568.db2.gz KTICRLWJXIUFNF-UHFFFAOYSA-N 0 0 197.222 1.142 10 0 ADAERN CCOCC[C@H](O)[C@@H](CC)OC 687684490 571940573 /nfs/dbraw/zinc/94/05/73/571940573.db2.gz JNSVCMJXIVJYRZ-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN CCOC(C)(C)[C@H](O)C(F)(F)F 687684160 571940581 /nfs/dbraw/zinc/94/05/81/571940581.db2.gz CEVURYVBSDCNOF-YFKPBYRVSA-N 0 0 186.173 1.725 10 0 ADAERN C/C=C\C(=O)N1CC(C)=C[C@H](C)C1 379404678 571940610 /nfs/dbraw/zinc/94/06/10/571940610.db2.gz RUATUDQEVWEAFU-WBSSQXGSSA-N 0 0 179.263 1.987 10 0 ADAERN CC(C)CN[S@](=O)c1ccccn1 39117231 571940620 /nfs/dbraw/zinc/94/06/20/571940620.db2.gz ZWEYUUONNIYJOD-ZDUSSCGKSA-N 0 0 198.291 1.350 10 0 ADAERN CCOCC[C@H](O)[C@H]1CC1(C)C 687684457 571942220 /nfs/dbraw/zinc/94/22/20/571942220.db2.gz IWEWJVGBXGSXRE-BDAKNGLRSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H]1c2ccc(C(=O)[O-])n2CC[N@H+]1C 39778462 571940673 /nfs/dbraw/zinc/94/06/73/571940673.db2.gz JLPBPRWFGKDSKI-ZETCQYMHSA-N 0 0 194.234 1.193 10 0 ADAERN COc1cccnc1C(=O)[C@@H](C)OC 234765565 571940698 /nfs/dbraw/zinc/94/06/98/571940698.db2.gz XNGBOEVGAWQQGB-SSDOTTSWSA-N 0 0 195.218 1.308 10 0 ADAERN CCC(O)(CC)[C@H](O)C(F)(F)F 687684168 571941173 /nfs/dbraw/zinc/94/11/73/571941173.db2.gz COSAUMPQLBIQLR-YFKPBYRVSA-N 0 0 186.173 1.461 10 0 ADAERN Cc1c(N)nsc1N(C)CC1CC1 234294369 571940706 /nfs/dbraw/zinc/94/07/06/571940706.db2.gz PLWFEQIPEWSYLY-UHFFFAOYSA-N 0 0 197.307 1.880 10 0 ADAERN C[C@H](NCCCCO)C(F)F 235513689 571941174 /nfs/dbraw/zinc/94/11/74/571941174.db2.gz BNNGRSBNMDUZFY-LURJTMIESA-N 0 0 167.199 1.002 10 0 ADAERN CCOCC[C@H](O)[C@@H]1CC1(C)C 687684459 571940719 /nfs/dbraw/zinc/94/07/19/571940719.db2.gz IWEWJVGBXGSXRE-IUCAKERBSA-N 0 0 172.268 1.820 10 0 ADAERN CCOCC[C@@H](O)[C@H]1CC1(C)C 687684460 571941175 /nfs/dbraw/zinc/94/11/75/571941175.db2.gz IWEWJVGBXGSXRE-RKDXNWHRSA-N 0 0 172.268 1.820 10 0 ADAERN CCO[C@H](CC)[C@@H](O)[C@H](C)COC 687684575 571940728 /nfs/dbraw/zinc/94/07/28/571940728.db2.gz LRTMMIDGNCPNGB-BBBLOLIVSA-N 0 0 190.283 1.445 10 0 ADAERN COC[C@H](C)[C@H](O)C1(OC)CCC1 687684508 571940754 /nfs/dbraw/zinc/94/07/54/571940754.db2.gz JUGRRGXJRNSDEL-IUCAKERBSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@@H]1c2ccc(C=O)n2CCN1C 39778447 571940755 /nfs/dbraw/zinc/94/07/55/571940755.db2.gz TVPYHINIXYTHGA-MRVPVSSYSA-N 0 0 178.235 1.307 10 0 ADAERN CCc1occc1[C@H](O)[C@H]1CCOC1 234297146 571940807 /nfs/dbraw/zinc/94/08/07/571940807.db2.gz CNNWVJJMRLTSFF-GZMMTYOYSA-N 0 0 196.246 1.912 10 0 ADAERN CC(=O)CCCNC(=O)OC(C)C 39126128 571940810 /nfs/dbraw/zinc/94/08/10/571940810.db2.gz GDFJYICKIGZYTG-UHFFFAOYSA-N 0 0 187.239 1.490 10 0 ADAERN COC[C@H](C)[C@H](O)[C@H](OC)C1CC1 687684274 571940831 /nfs/dbraw/zinc/94/08/31/571940831.db2.gz FVZWTHKWBKYROT-UJNFCWOMSA-N 0 0 188.267 1.055 10 0 ADAERN COC[C@@H](C)[C@@H](O)C1(OC)CCC1 687684509 571940838 /nfs/dbraw/zinc/94/08/38/571940838.db2.gz JUGRRGXJRNSDEL-RKDXNWHRSA-N 0 0 188.267 1.199 10 0 ADAERN COC(C)(C)CC[C@@H](O)CCCO 234761580 571940845 /nfs/dbraw/zinc/94/08/45/571940845.db2.gz QVDIMYKVNNUDQN-VIFPVBQESA-N 0 0 190.283 1.325 10 0 ADAERN COC1=C[C@@H](OC)[C@@H](F)C(=O)C1 39128009 571940848 /nfs/dbraw/zinc/94/08/48/571940848.db2.gz STYZNGJOOLNTLI-SFYZADRCSA-N 0 0 174.171 1.325 10 0 ADAERN CC[C@@H](C)C(=O)[C@@H](O)C1CC1 233973278 571942511 /nfs/dbraw/zinc/94/25/11/571942511.db2.gz VBJJUQZOEODHAL-MUWHJKNJSA-N 0 0 156.225 1.373 10 0 ADAERN COCCOCC[C@@H](O)C1(C)CC1 687684191 571940881 /nfs/dbraw/zinc/94/08/81/571940881.db2.gz DAPUMUZKQHNYMD-SECBINFHSA-N 0 0 188.267 1.201 10 0 ADAERN 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234777402 571946595 /nfs/dbraw/zinc/94/65/95/571946595.db2.gz XXPKQMREMNVYEJ-KOLCDFICSA-N 0 0 198.310 1.744 10 0 ADAERN CC[C@@H]1CCCN([S@](=O)CC)C1 687813697 571946621 /nfs/dbraw/zinc/94/66/21/571946621.db2.gz UIQLMTLLNCEAJA-BXKDBHETSA-N 0 0 189.324 1.792 10 0 ADAERN CC[C@H](O)[C@@H](O)CCCC(F)F 687906439 571946629 /nfs/dbraw/zinc/94/66/29/571946629.db2.gz NIJBAXWDRACSRC-BQBZGAKWSA-N 0 0 182.210 1.554 10 0 ADAERN COC[C@@H](C)[C@@]1(O)C=CCCC1 687686918 571946654 /nfs/dbraw/zinc/94/66/54/571946654.db2.gz BRJXXYKFWHPYFQ-NXEZZACHSA-N 0 0 170.252 1.740 10 0 ADAERN CC(C)[S@](=O)N1CCCC[C@H]1C 687813754 571946656 /nfs/dbraw/zinc/94/66/56/571946656.db2.gz WXFJREUOKRQRSR-SKDRFNHKSA-N 0 0 189.324 1.933 10 0 ADAERN O=C1CCCC[C@H]2O[C@@H]2C1 196416565 571946668 /nfs/dbraw/zinc/94/66/68/571946668.db2.gz WGUXCKPBOQZKNP-HTQZYQBOSA-N 0 0 140.182 1.287 10 0 ADAERN OCCSc1cc(O)ccc1O 196417718 571946673 /nfs/dbraw/zinc/94/66/73/571946673.db2.gz BEGHXSZVKYURGD-UHFFFAOYSA-N 0 0 186.232 1.182 10 0 ADAERN 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/nfs/dbraw/zinc/94/71/31/571947131.db2.gz ZQYOGXZHGISPKH-GUBZILKMSA-N 0 0 186.251 1.095 10 0 ADAERN CC[S@@](=O)Nc1cccc(OC)c1 687814471 571947147 /nfs/dbraw/zinc/94/71/47/571947147.db2.gz HVNMLUZZXAYEIB-CYBMUJFWSA-N 0 0 199.275 1.791 10 0 ADAERN CC(C)CC[C@H](C[NH3+])C(=O)[O-] 39135359 571947148 /nfs/dbraw/zinc/94/71/48/571947148.db2.gz ZQFYQLSPBFLIHX-SSDOTTSWSA-N 0 0 159.229 1.082 10 0 ADAERN C[C@@H]1OCC[C@]1(O)C[C@H]1CCCO1 687686434 571947166 /nfs/dbraw/zinc/94/71/66/571947166.db2.gz ZQYOGXZHGISPKH-AEJSXWLSSA-N 0 0 186.251 1.095 10 0 ADAERN CCc1nnc([C@H](N)C(C)C)o1 11586300 571947175 /nfs/dbraw/zinc/94/71/75/571947175.db2.gz YRTPIJMLAGHDBZ-SSDOTTSWSA-N 0 0 169.228 1.288 10 0 ADAERN Cc1ccc2c(c1)[C@H](C(N)=O)OCC2 140515330 571947178 /nfs/dbraw/zinc/94/71/78/571947178.db2.gz AUYFFMFCJGYSLS-SNVBAGLBSA-N 0 0 191.230 1.094 10 0 ADAERN C[C@@H]1CC[C@@H](CC(=O)N2CCCN2)C1 335665987 571947183 /nfs/dbraw/zinc/94/71/83/571947183.db2.gz KPEKPMMXYWRBAU-NXEZZACHSA-N 0 0 196.294 1.550 10 0 ADAERN c1nc(-c2ccc3oncc3c2)n[nH]1 140528957 571947189 /nfs/dbraw/zinc/94/71/89/571947189.db2.gz JPRIHXXEFDLCFU-UHFFFAOYSA-N 0 0 186.174 1.613 10 0 ADAERN O[C@H](c1cnccn1)c1cccs1 40237821 571947194 /nfs/dbraw/zinc/94/71/94/571947194.db2.gz KZZZGBMEPFPALD-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN O[C@H](CCCC(F)F)c1nc[nH]n1 687906476 571947206 /nfs/dbraw/zinc/94/72/06/571947206.db2.gz NQUMQOBJPILBDD-RXMQYKEDSA-N 0 0 191.181 1.274 10 0 ADAERN O=C1CCC[C@H](OCc2cn[nH]c2)C1 712722244 571947211 /nfs/dbraw/zinc/94/72/11/571947211.db2.gz LMGKEYCIWFLBJZ-JTQLQIEISA-N 0 0 194.234 1.438 10 0 ADAERN Cc1cc(Cl)cc(C=NN)c1O 379330446 571947218 /nfs/dbraw/zinc/94/72/18/571947218.db2.gz XILHOYPIQCKJBE-UHFFFAOYSA-N 0 0 184.626 1.647 10 0 ADAERN Cc1nnc([C@@H](N)C(C)C)o1 11586295 571947268 /nfs/dbraw/zinc/94/72/68/571947268.db2.gz WUTSQLGROHVVOP-LURJTMIESA-N 0 0 155.201 1.034 10 0 ADAERN CC(C)[C@@H](N)c1nnc(C2CC2)o1 11586309 571947300 /nfs/dbraw/zinc/94/73/00/571947300.db2.gz QFULPFWQIKZGTD-SSDOTTSWSA-N 0 0 181.239 1.603 10 0 ADAERN Cc1ccc2c(c1)[C@@H](C(N)=O)OCC2 140515487 571947331 /nfs/dbraw/zinc/94/73/31/571947331.db2.gz AUYFFMFCJGYSLS-JTQLQIEISA-N 0 0 191.230 1.094 10 0 ADAERN COCC[C@@H](O)CCCC(F)F 687907711 571947336 /nfs/dbraw/zinc/94/73/36/571947336.db2.gz SYBIZWAESQBANX-ZETCQYMHSA-N 0 0 182.210 1.819 10 0 ADAERN C[C@@H]1CCCC[C@H]1C(=O)N1CCCN1 335284981 571947348 /nfs/dbraw/zinc/94/73/48/571947348.db2.gz QITXDOCBQRODBR-NXEZZACHSA-N 0 0 196.294 1.550 10 0 ADAERN CC[S@](=O)NCC1CCCC1 687814608 571947399 /nfs/dbraw/zinc/94/73/99/571947399.db2.gz UTOMSLYEJBOGGY-NSHDSACASA-N 0 0 175.297 1.450 10 0 ADAERN O[C@@H](c1cnccn1)c1cccs1 40237823 571947410 /nfs/dbraw/zinc/94/74/10/571947410.db2.gz KZZZGBMEPFPALD-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN CC[S@](=O)Nc1cc(C)no1 687814492 571947441 /nfs/dbraw/zinc/94/74/41/571947441.db2.gz JZKSUWVDNSOTEN-NSHDSACASA-N 0 0 174.225 1.079 10 0 ADAERN CCCCC[C@H](C[NH3+])C(=O)[O-] 39135426 571947474 /nfs/dbraw/zinc/94/74/74/571947474.db2.gz CYJQXMOJSMLOGT-SSDOTTSWSA-N 0 0 159.229 1.226 10 0 ADAERN CNCC(=O)OC[C@@H]1CCC[C@@H](C)C1 300806767 571947482 /nfs/dbraw/zinc/94/74/82/571947482.db2.gz XHQAQIRMPKEPBH-NXEZZACHSA-N 0 0 199.294 1.575 10 0 ADAERN CC[S@](=O)NC[C@H](C)SC 687814634 571947494 /nfs/dbraw/zinc/94/74/94/571947494.db2.gz WLHTZAXMFZJVFL-WKEGUHRASA-N 0 0 181.326 1.011 10 0 ADAERN CCCC[C@@](C)(C[NH3+])C(=O)[O-] 39135413 571947495 /nfs/dbraw/zinc/94/74/95/571947495.db2.gz RHTRLKRXSAVPIF-QMMMGPOBSA-N 0 0 159.229 1.226 10 0 ADAERN CCOC(=S)C=C(N)OCC 221292995 571947499 /nfs/dbraw/zinc/94/74/99/571947499.db2.gz MJBYTCJXVYDERR-WAYWQWQTSA-N 0 0 175.253 1.187 10 0 ADAERN C[C@H]1CC[C@@H](CC(=O)N2CCCN2)C1 335665989 571947502 /nfs/dbraw/zinc/94/75/02/571947502.db2.gz KPEKPMMXYWRBAU-VHSXEESVSA-N 0 0 196.294 1.550 10 0 ADAERN CC(C)N1CCN(C2CCC2)CC1=O 335132909 571947524 /nfs/dbraw/zinc/94/75/24/571947524.db2.gz LQUDMAOLDMJTQB-UHFFFAOYSA-N 0 0 196.294 1.092 10 0 ADAERN CC[S@](=O)N[C@H]1CC1(C)C 687814334 571947536 /nfs/dbraw/zinc/94/75/36/571947536.db2.gz XTUSQKBGXQIHRM-WKEGUHRASA-N 0 0 161.270 1.058 10 0 ADAERN CC[C@@H](C)CN1CCCO1 335392559 571947540 /nfs/dbraw/zinc/94/75/40/571947540.db2.gz KUCFQPIOKHBOPF-MRVPVSSYSA-N 0 0 143.230 1.670 10 0 ADAERN Cc1[nH]c(=O)n(C/C=C\Cl)c1C 379327904 571947541 /nfs/dbraw/zinc/94/75/41/571947541.db2.gz NAQHOMFEVPEFDX-ARJAWSKDSA-N 0 0 186.642 1.958 10 0 ADAERN CCCCN(C(C)=O)C(=O)CC 39138945 571947568 /nfs/dbraw/zinc/94/75/68/571947568.db2.gz DXNPTEQRMXDHCX-UHFFFAOYSA-N 0 0 171.240 1.572 10 0 ADAERN CC[C@@H](O)[C@H](O)CCCC(F)F 687906441 571947592 /nfs/dbraw/zinc/94/75/92/571947592.db2.gz NIJBAXWDRACSRC-RNFRBKRXSA-N 0 0 182.210 1.554 10 0 ADAERN CC[C@@H]1C[C@H]1N[S@@](=O)CC 687814618 571947597 /nfs/dbraw/zinc/94/75/97/571947597.db2.gz VDGPOODWZHBKAR-XSSZXYGBSA-N 0 0 161.270 1.058 10 0 ADAERN Cc1cn(CCCCCCO)nc1N 235791736 571947602 /nfs/dbraw/zinc/94/76/02/571947602.db2.gz MDOKBZIDZIPWBQ-UHFFFAOYSA-N 0 0 197.282 1.326 10 0 ADAERN CC(C)(O)[C@@H](O)CCCC(F)F 687902601 571947638 /nfs/dbraw/zinc/94/76/38/571947638.db2.gz FJOYRMKAFCNDGY-LURJTMIESA-N 0 0 182.210 1.554 10 0 ADAERN CCCC[C@@H](O)c1cnnn1CC 300806843 571947658 /nfs/dbraw/zinc/94/76/58/571947658.db2.gz FGPYSSWBCVBXEA-SECBINFHSA-N 0 0 183.255 1.522 10 0 ADAERN CONCc1cnoc1C1CC1 379335716 571947688 /nfs/dbraw/zinc/94/76/88/571947688.db2.gz VJHNAAHGTPKOSL-UHFFFAOYSA-N 0 0 168.196 1.203 10 0 ADAERN CCCc1[nH]c(=O)c(C)nc1C 140509751 571947691 /nfs/dbraw/zinc/94/76/91/571947691.db2.gz GWLWZLSLEQLJJD-UHFFFAOYSA-N 0 0 166.224 1.339 10 0 ADAERN CCC[C@H](O)[C@@H](O)CC(C)(C)C 713147430 571947736 /nfs/dbraw/zinc/94/77/36/571947736.db2.gz VXEJANLXDWOOLT-IUCAKERBSA-N 0 0 174.284 1.945 10 0 ADAERN CO/C=C\[C@H]1CCOC1 205328461 571947801 /nfs/dbraw/zinc/94/78/01/571947801.db2.gz KQDMQCYTFOOKBH-ZZZKRKDRSA-N 0 0 128.171 1.183 10 0 ADAERN CC1(C)CC(C)(C)[C@@H](O)C1=O 196410866 571947805 /nfs/dbraw/zinc/94/78/05/571947805.db2.gz AKNAYYJWGSPVLZ-LURJTMIESA-N 0 0 156.225 1.373 10 0 ADAERN CC[S@](=O)N[C@H](C)c1ccccn1 687814413 571947819 /nfs/dbraw/zinc/94/78/19/571947819.db2.gz DVKXVJCJGCMCMP-OQPBUACISA-N 0 0 198.291 1.416 10 0 ADAERN CCc1occc1-c1nc(CO)no1 234303153 571947827 /nfs/dbraw/zinc/94/78/27/571947827.db2.gz UVFYGIWTIBYIHU-UHFFFAOYSA-N 0 0 194.190 1.384 10 0 ADAERN O[C@@H](CCCC(F)F)c1ncc[nH]1 687907291 571947834 /nfs/dbraw/zinc/94/78/34/571947834.db2.gz RUZNHQLWRGBBTR-LURJTMIESA-N 0 0 190.193 1.879 10 0 ADAERN CC(C)c1nnc([C@H](N)C(C)C)o1 11586303 571947850 /nfs/dbraw/zinc/94/78/50/571947850.db2.gz BOMNYCLGGJWBIB-SSDOTTSWSA-N 0 0 183.255 1.849 10 0 ADAERN Cc1nn(C)cc1C1CCC(=O)CC1 687686442 571947856 /nfs/dbraw/zinc/94/78/56/571947856.db2.gz ZUSGRNRNMIAHSC-UHFFFAOYSA-N 0 0 192.262 1.955 10 0 ADAERN CCOC/C=C(\C)C(=O)OC 214759125 571947885 /nfs/dbraw/zinc/94/78/85/571947885.db2.gz IKBHIAVPOIADBE-FNORWQNLSA-N 0 0 158.197 1.142 10 0 ADAERN CCO[C@H](C)CN[S@](=O)C(C)C 687814038 571947912 /nfs/dbraw/zinc/94/79/12/571947912.db2.gz HJSDUZFBYDIGAT-PRHODGIISA-N 0 0 193.312 1.073 10 0 ADAERN CN=c1scc(CC2CC2)n1C 379335211 571947921 /nfs/dbraw/zinc/94/79/21/571947921.db2.gz OATBUHHYYGGYPG-UHFFFAOYSA-N 0 0 182.292 1.570 10 0 ADAERN C/C=C(\C)C(=O)NC(C)(C)[C@H](C)O 388811695 571947935 /nfs/dbraw/zinc/94/79/35/571947935.db2.gz RHAOKRFAGFXWQN-CZEYKFRCSA-N 0 0 185.267 1.228 10 0 ADAERN CCc1occc1-c1cnc(CN)o1 234301765 571947970 /nfs/dbraw/zinc/94/79/70/571947970.db2.gz KKTBDQJVGWETCZ-UHFFFAOYSA-N 0 0 192.218 1.956 10 0 ADAERN CC(C)[S@](=O)NCCCCF 687814276 571947987 /nfs/dbraw/zinc/94/79/87/571947987.db2.gz UHVPKBJCBPWQBQ-NSHDSACASA-N 0 0 181.276 1.398 10 0 ADAERN OCCCCCC1CCOCC1 300810051 571948018 /nfs/dbraw/zinc/94/80/18/571948018.db2.gz XCQAJLQKCCOCTA-UHFFFAOYSA-N 0 0 172.268 1.966 10 0 ADAERN C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@@H](C)C(=O)[O-] 235520098 571948041 /nfs/dbraw/zinc/94/80/41/571948041.db2.gz XPSGDDIFOTXFMX-VGMNWLOBSA-N 0 0 199.294 1.731 10 0 ADAERN O=C1C=C(c2ccc(F)cc2)CN1 140506089 571948046 /nfs/dbraw/zinc/94/80/46/571948046.db2.gz HUSKXUSLIKYINC-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/95/15/78/571951578.db2.gz HLMFILUFJNXQRX-SNVBAGLBSA-N 0 0 191.274 1.826 10 0 ADAERN COC[C@H](C)[C@@H](O)[C@H]1CCSC1 687687293 571951592 /nfs/dbraw/zinc/95/15/92/571951592.db2.gz PIUZWQAHFBXJHK-XHNCKOQMSA-N 0 0 190.308 1.383 10 0 ADAERN CCc1cccc2c1NC[C@@H](CO)C2 11633130 571951613 /nfs/dbraw/zinc/95/16/13/571951613.db2.gz IGVZFKYXERGOBE-VIFPVBQESA-N 0 0 191.274 1.826 10 0 ADAERN CCc1c(C)nn(C)c1C 40419819 571951648 /nfs/dbraw/zinc/95/16/48/571951648.db2.gz RYKALIXQGIRAHX-UHFFFAOYSA-N 0 0 138.214 1.599 10 0 ADAERN C/C=C\[C@@H]1[C@@H](C)C(=O)[C@@H]1OC 687751550 571951669 /nfs/dbraw/zinc/95/16/69/571951669.db2.gz TZQKQZIIYBYSFI-BVSLVUDTSA-N 0 0 154.209 1.413 10 0 ADAERN CONCCSc1ccccc1 79619604 571951709 /nfs/dbraw/zinc/95/17/09/571951709.db2.gz OVNPDIRDHPTSCP-UHFFFAOYSA-N 0 0 183.276 1.930 10 0 ADAERN Cc1[nH]nc2c1C(=O)CSC2 76596524 571951762 /nfs/dbraw/zinc/95/17/62/571951762.db2.gz UIFMRIUAQBZGAO-UHFFFAOYSA-N 0 0 168.221 1.148 10 0 ADAERN COC[C@H](C)[C@@]1(O)CC[C@@H]1C 687687038 571951781 /nfs/dbraw/zinc/95/17/81/571951781.db2.gz HRTXFUWQGSYNAG-XHNCKOQMSA-N 0 0 158.241 1.430 10 0 ADAERN CC[C@@H]1OCCn2cccc21 39080195 571951826 /nfs/dbraw/zinc/95/18/26/571951826.db2.gz AJTYMZRARFHNGF-VIFPVBQESA-N 0 0 151.209 1.969 10 0 ADAERN CCCC[C@@H](N)c1ncno1 40454089 571951835 /nfs/dbraw/zinc/95/18/35/571951835.db2.gz RRNHXDHYJHQKGB-ZCFIWIBFSA-N 0 0 155.201 1.260 10 0 ADAERN COC[C@@H](C)[C@@](O)(COC)C(C)C 687687303 571951862 /nfs/dbraw/zinc/95/18/62/571951862.db2.gz GBHHEOCWZPPBRQ-NXEZZACHSA-N 0 0 190.283 1.302 10 0 ADAERN COC[C@H](C)[C@](C)(O)c1cccnc1 687687290 571951900 /nfs/dbraw/zinc/95/19/00/571951900.db2.gz FJNNVEIADKVERQ-ONGXEEELSA-N 0 0 195.262 1.572 10 0 ADAERN COC[C@H](C)[C@H](O)[C@H]1CCSC1 687687287 571951935 /nfs/dbraw/zinc/95/19/35/571951935.db2.gz PIUZWQAHFBXJHK-CIUDSAMLSA-N 0 0 190.308 1.383 10 0 ADAERN CCO[C@H](C)CCCCO 139570950 571951941 /nfs/dbraw/zinc/95/19/41/571951941.db2.gz QVIKOLKKBHQLHQ-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN COC[C@@H](C)[C@@]1(O)CCC1(C)C 687687327 571951982 /nfs/dbraw/zinc/95/19/82/571951982.db2.gz QFPYYAQYRMGUEL-SCZZXKLOSA-N 0 0 172.268 1.820 10 0 ADAERN CCc1nc2sc(C)cn2c1CO 40439531 571953416 /nfs/dbraw/zinc/95/34/16/571953416.db2.gz PMLJVQLVLLIMSG-UHFFFAOYSA-N 0 0 196.275 1.759 10 0 ADAERN CNC(=O)O[C@H](C)C1CC1 226120200 571956630 /nfs/dbraw/zinc/95/66/30/571956630.db2.gz CVMICEFROSSHQB-RXMQYKEDSA-N 0 0 143.186 1.141 10 0 ADAERN c1cncc(CCCC2OCCO2)c1 139540286 571952045 /nfs/dbraw/zinc/95/20/45/571952045.db2.gz BNMCLQGQDSOPEG-UHFFFAOYSA-N 0 0 193.246 1.777 10 0 ADAERN CCc1cn2c(CCO)csc2n1 40440287 571952047 /nfs/dbraw/zinc/95/20/47/571952047.db2.gz CVFYHKGCXYTURA-UHFFFAOYSA-N 0 0 196.275 1.493 10 0 ADAERN COC[C@H](C)[C@]1(O)C[C@@H](C)[C@H]1C 687687142 571952048 /nfs/dbraw/zinc/95/20/48/571952048.db2.gz LRTLKTKSJAIMEU-UTINFBMNSA-N 0 0 172.268 1.676 10 0 ADAERN CN1C[C@@H](CO)c2ccccc21 39081749 571952056 /nfs/dbraw/zinc/95/20/56/571952056.db2.gz YTRYLAQHCCTMTI-QMMMGPOBSA-N 0 0 163.220 1.212 10 0 ADAERN COC[C@H](C)[C@]1(O)CCC[C@@H]2C[C@@H]21 687687007 571952116 /nfs/dbraw/zinc/95/21/16/571952116.db2.gz GFMQZQDWYGQZCH-ZRUFSTJUSA-N 0 0 184.279 1.820 10 0 ADAERN CCN(C)c1cc(F)cc(CO)c1 233977055 571952124 /nfs/dbraw/zinc/95/21/24/571952124.db2.gz RATDYZVQMNVAIF-UHFFFAOYSA-N 0 0 183.226 1.774 10 0 ADAERN COCc1ccc(C(=O)OC)c(F)c1 234778684 571952125 /nfs/dbraw/zinc/95/21/25/571952125.db2.gz MOXMNSGRWIOTLZ-UHFFFAOYSA-N 0 0 198.193 1.759 10 0 ADAERN COc1nccc2cc(CO)oc12 139501257 571952153 /nfs/dbraw/zinc/95/21/53/571952153.db2.gz NBMRMZBDGQATBD-UHFFFAOYSA-N 0 0 179.175 1.329 10 0 ADAERN CCC([O-])=C1CCC(C)(C)[N+]1=O 687751625 571952215 /nfs/dbraw/zinc/95/22/15/571952215.db2.gz IKQVSIWOYZJZQL-UHFFFAOYSA-N 0 0 169.224 1.489 10 0 ADAERN COc1ccc2c(c1)O[C@@H](O)CC2 139517836 571952231 /nfs/dbraw/zinc/95/22/31/571952231.db2.gz OKJWLTZQKAUITD-SNVBAGLBSA-N 0 0 180.203 1.339 10 0 ADAERN COC[C@H](C)[C@H](O)[C@@H]1CC[C@@H](C)O1 687687099 571952246 /nfs/dbraw/zinc/95/22/46/571952246.db2.gz KVOPZAPZVRGQMY-JXUBOQSCSA-N 0 0 188.267 1.197 10 0 ADAERN C/C=C\[C@H]1[C@H](OC)C(=O)[C@@H]1C 687751551 571952265 /nfs/dbraw/zinc/95/22/65/571952265.db2.gz TZQKQZIIYBYSFI-SSEICOCQSA-N 0 0 154.209 1.413 10 0 ADAERN C[C@@H]1CC[C@@H]2OCC(=O)CO[C@@H]2C1 40435180 571953809 /nfs/dbraw/zinc/95/38/09/571953809.db2.gz LTSMPUUMDMERTD-FKTZTGRPSA-N 0 0 184.235 1.160 10 0 ADAERN CC(C)CN1CC[C@@H](F)C1=O 39081316 571952338 /nfs/dbraw/zinc/95/23/38/571952338.db2.gz OCKIIWDIXYLSEK-SSDOTTSWSA-N 0 0 159.204 1.213 10 0 ADAERN CCc1ccc2c(c1)C[C@H](CO)CN2 11633131 571952353 /nfs/dbraw/zinc/95/23/53/571952353.db2.gz HLMFILUFJNXQRX-JTQLQIEISA-N 0 0 191.274 1.826 10 0 ADAERN CCCCN1CC[C@H](F)C1=O 39081318 571952357 /nfs/dbraw/zinc/95/23/57/571952357.db2.gz NSOOZZURXTUGFD-ZETCQYMHSA-N 0 0 159.204 1.357 10 0 ADAERN Cc1cc(C)c2c(c1)NC[C@H](CO)C2 11633101 571952360 /nfs/dbraw/zinc/95/23/60/571952360.db2.gz KKJDURFUOPEMIN-SNVBAGLBSA-N 0 0 191.274 1.880 10 0 ADAERN COC[C@@H](C)[C@@H](O)CCCSC 687687104 571952400 /nfs/dbraw/zinc/95/24/00/571952400.db2.gz KXBLFXFGJDRQEV-BDAKNGLRSA-N 0 0 192.324 1.773 10 0 ADAERN O=c1ccsn1-c1ccncc1 40424983 571952420 /nfs/dbraw/zinc/95/24/20/571952420.db2.gz SKMYNTBICARDSP-UHFFFAOYSA-N 0 0 178.216 1.294 10 0 ADAERN C[C@]12CCCC[C@@H]1C[NH2+][C@@H]2C(=O)[O-] 139522735 571952781 /nfs/dbraw/zinc/95/27/81/571952781.db2.gz LCHFJZBHJLDITM-MRTMQBJTSA-N 0 0 183.251 1.239 10 0 ADAERN CN[C@H](Cc1ccco1)C(F)F 234468077 571952443 /nfs/dbraw/zinc/95/24/43/571952443.db2.gz KIYCOILIJSCCST-SSDOTTSWSA-N 0 0 175.178 1.675 10 0 ADAERN Cc1ccc2c(c1C)NC[C@@H](CO)C2 11633144 571952444 /nfs/dbraw/zinc/95/24/44/571952444.db2.gz YAPOAEAWPDUGEQ-JTQLQIEISA-N 0 0 191.274 1.880 10 0 ADAERN CCCC[C@H](N)c1ncno1 40454088 571952469 /nfs/dbraw/zinc/95/24/69/571952469.db2.gz RRNHXDHYJHQKGB-LURJTMIESA-N 0 0 155.201 1.260 10 0 ADAERN CC(C)(C)CN1CCCC1=O 40442538 571953426 /nfs/dbraw/zinc/95/34/26/571953426.db2.gz IJKGBYXMYRDMEL-UHFFFAOYSA-N 0 0 155.241 1.655 10 0 ADAERN CCc1ccc(F)n1C 39077552 571952490 /nfs/dbraw/zinc/95/24/90/571952490.db2.gz IATDNWOEJAGEBU-UHFFFAOYSA-N 0 0 127.162 1.727 10 0 ADAERN COC[C@H](C)[C@]1(O)C[C@@H](C)[C@@H]1C 687687143 571952515 /nfs/dbraw/zinc/95/25/15/571952515.db2.gz LRTLKTKSJAIMEU-XFWSIPNHSA-N 0 0 172.268 1.676 10 0 ADAERN COC[C@H](C)[C@](O)(COC)C(C)C 687687305 571952531 /nfs/dbraw/zinc/95/25/31/571952531.db2.gz GBHHEOCWZPPBRQ-UWVGGRQHSA-N 0 0 190.283 1.302 10 0 ADAERN Oc1ccc(NCc2ncno2)cc1 40454109 571952534 /nfs/dbraw/zinc/95/25/34/571952534.db2.gz LITCNSOGZWJADY-UHFFFAOYSA-N 0 0 191.190 1.387 10 0 ADAERN COC[C@H](C)[C@@H](O)CCCSC 687687106 571952565 /nfs/dbraw/zinc/95/25/65/571952565.db2.gz KXBLFXFGJDRQEV-IUCAKERBSA-N 0 0 192.324 1.773 10 0 ADAERN CCNc1ncc(F)cc1C(C)=O 40442201 571952593 /nfs/dbraw/zinc/95/25/93/571952593.db2.gz AOQHSMOFVQNQKX-UHFFFAOYSA-N 0 0 182.198 1.855 10 0 ADAERN COC[C@@H](C)[C@]1(O)CCC1(C)C 687687325 571952665 /nfs/dbraw/zinc/95/26/65/571952665.db2.gz QFPYYAQYRMGUEL-PSASIEDQSA-N 0 0 172.268 1.820 10 0 ADAERN COC[C@H](C)[C@]1(O)CCC1(C)C 687687328 571952692 /nfs/dbraw/zinc/95/26/92/571952692.db2.gz QFPYYAQYRMGUEL-WCBMZHEXSA-N 0 0 172.268 1.820 10 0 ADAERN COCCCC[C@H](O)c1nc(C)c[nH]1 686322105 571952702 /nfs/dbraw/zinc/95/27/02/571952702.db2.gz RWKPOIHGLZKXQR-VIFPVBQESA-N 0 0 198.266 1.568 10 0 ADAERN Cc1ccc(N(C)C)cc1CO 140575385 571952719 /nfs/dbraw/zinc/95/27/19/571952719.db2.gz BKRZKCMGNNQVFI-UHFFFAOYSA-N 0 0 165.236 1.553 10 0 ADAERN COC[C@@H](C)[C@](O)(COC)C(C)C 687687309 571952726 /nfs/dbraw/zinc/95/27/26/571952726.db2.gz GBHHEOCWZPPBRQ-ZJUUUORDSA-N 0 0 190.283 1.302 10 0 ADAERN CN1CNc2ccccc21 39078081 571953429 /nfs/dbraw/zinc/95/34/29/571953429.db2.gz OKVODYYYKBRQAK-UHFFFAOYSA-N 0 0 134.182 1.506 10 0 ADAERN COC[C@H](C)[C@]1(O)CC[C@H]2C[C@H]21 687687196 571952794 /nfs/dbraw/zinc/95/27/94/571952794.db2.gz MURHSZAGXJNLGY-AXTSPUMRSA-N 0 0 170.252 1.430 10 0 ADAERN COC[C@@H](C)[C@H](O)CCCSC 687687108 571952806 /nfs/dbraw/zinc/95/28/06/571952806.db2.gz KXBLFXFGJDRQEV-RKDXNWHRSA-N 0 0 192.324 1.773 10 0 ADAERN COC[C@H](C)[C@H](O)[C@H]1CC[C@H](C)O1 687687100 571952841 /nfs/dbraw/zinc/95/28/41/571952841.db2.gz KVOPZAPZVRGQMY-QEYWKRMJSA-N 0 0 188.267 1.197 10 0 ADAERN Cc1cccn1CCCO 39078525 571952852 /nfs/dbraw/zinc/95/28/52/571952852.db2.gz MJLJQQATDBLMEE-UHFFFAOYSA-N 0 0 139.198 1.179 10 0 ADAERN CCCCCNC(=S)N(C)C 79758771 571952875 /nfs/dbraw/zinc/95/28/75/571952875.db2.gz KOAMRAJSNPKTNF-UHFFFAOYSA-N 0 0 174.313 1.613 10 0 ADAERN CC(C)CC[C@@H]1CN(C)CC1=O 76597569 571952879 /nfs/dbraw/zinc/95/28/79/571952879.db2.gz NOFNUCJKSCHKNO-SECBINFHSA-N 0 0 169.268 1.553 10 0 ADAERN COC[C@H](C)[C@]1(O)CCSC1 687687119 571952893 /nfs/dbraw/zinc/95/28/93/571952893.db2.gz LAHWDWZNWXOLAX-YUMQZZPRSA-N 0 0 176.281 1.137 10 0 ADAERN Cc1cc2c(cc1C)NC[C@H](CO)C2 11633105 571952945 /nfs/dbraw/zinc/95/29/45/571952945.db2.gz ADPKPBUPHVKEQT-SNVBAGLBSA-N 0 0 191.274 1.880 10 0 ADAERN c1cc2n(c1)CCCS2 39078542 571952973 /nfs/dbraw/zinc/95/29/73/571952973.db2.gz XVSBLFGBFALROB-UHFFFAOYSA-N 0 0 139.223 1.984 10 0 ADAERN OC[C@@H]1CCc2cccc(O)c2O1 139613876 571953444 /nfs/dbraw/zinc/95/34/44/571953444.db2.gz CLXDMFLJZVIJRW-QMMMGPOBSA-N 0 0 180.203 1.078 10 0 ADAERN CCn1cncc1[C@@H](O)[C@@H](C)COC 687687380 571953391 /nfs/dbraw/zinc/95/33/91/571953391.db2.gz IQHLCUKVWILCNB-WPRPVWTQSA-N 0 0 198.266 1.219 10 0 ADAERN OCc1cncc(-c2ccco2)n1 140593754 571953394 /nfs/dbraw/zinc/95/33/94/571953394.db2.gz OILGGUDNWFHGDR-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN CCc1csc2nc(C)c(CO)n12 40439431 571953036 /nfs/dbraw/zinc/95/30/36/571953036.db2.gz VCPUUNUKZVKKOM-UHFFFAOYSA-N 0 0 196.275 1.759 10 0 ADAERN Cc1[nH]c2c(c1C(=O)[O-])CC[N@@H+](C)C2 40449085 571953101 /nfs/dbraw/zinc/95/31/01/571953101.db2.gz IJZXFDBLORXQMM-UHFFFAOYSA-N 0 0 194.234 1.009 10 0 ADAERN Cc1cn2c(CCO)csc2n1 40440289 571953112 /nfs/dbraw/zinc/95/31/12/571953112.db2.gz IDDIBQBMFRVRLF-UHFFFAOYSA-N 0 0 182.248 1.239 10 0 ADAERN CCCc1cn2c(CO)csc2n1 40441251 571953119 /nfs/dbraw/zinc/95/31/19/571953119.db2.gz YTMCKMZQOKVIBK-UHFFFAOYSA-N 0 0 196.275 1.841 10 0 ADAERN CN1c2ccccc2C[C@H]1CO 39081861 571953127 /nfs/dbraw/zinc/95/31/27/571953127.db2.gz JNHQWDXERNWHEM-VIFPVBQESA-N 0 0 163.220 1.040 10 0 ADAERN COC[C@@H](C)[C@](C)(O)c1ccoc1 687687551 571953129 /nfs/dbraw/zinc/95/31/29/571953129.db2.gz YATGNVJUHOTKFN-SCZZXKLOSA-N 0 0 184.235 1.770 10 0 ADAERN CC(=O)C=C([O-])c1cccc(N)c1 139619812 571953131 /nfs/dbraw/zinc/95/31/31/571953131.db2.gz TZHLUHDZBKYCJR-UHFFFAOYSA-N 0 0 177.203 1.431 10 0 ADAERN CC(=O)[C@@H](F)CC(C)C 40433858 571953448 /nfs/dbraw/zinc/95/34/48/571953448.db2.gz JDOFSTUVBFARKY-ZETCQYMHSA-N 0 0 132.178 1.960 10 0 ADAERN COC[C@H](C)[C@@]1(O)CSC[C@@H]1C 687687642 571953140 /nfs/dbraw/zinc/95/31/40/571953140.db2.gz YWTVRXXFQXDTDP-CIUDSAMLSA-N 0 0 190.308 1.383 10 0 ADAERN CC1([C@@H]([NH3+])c2ccccc2)OCCO1 139613919 571953152 /nfs/dbraw/zinc/95/31/52/571953152.db2.gz CELQMIKDZNLVKO-JTQLQIEISA-N 0 0 193.246 1.449 10 0 ADAERN OCc1cccc([C@@H](O)C2CC2)c1 139645387 571953400 /nfs/dbraw/zinc/95/34/00/571953400.db2.gz LZQOJEMORXEICJ-NSHDSACASA-N 0 0 178.231 1.622 10 0 ADAERN CC[C@H](C)N(C)c1ncc(N)cn1 40455607 571953401 /nfs/dbraw/zinc/95/34/01/571953401.db2.gz ODMYUZRQQGQRKP-ZETCQYMHSA-N 0 0 180.255 1.294 10 0 ADAERN CC(=O)c1cc(F)cnc1N(C)C 40442203 571953403 /nfs/dbraw/zinc/95/34/03/571953403.db2.gz AHOOQONKRSGZIL-UHFFFAOYSA-N 0 0 182.198 1.489 10 0 ADAERN C[C@@H]1CC[C@H]2OCC(=O)CO[C@@H]2C1 40435178 571953240 /nfs/dbraw/zinc/95/32/40/571953240.db2.gz LTSMPUUMDMERTD-SZEHBUNVSA-N 0 0 184.235 1.160 10 0 ADAERN C[C@H]1NC(=O)N(c2ccccc2)N1 139620298 571953814 /nfs/dbraw/zinc/95/38/14/571953814.db2.gz GZHGJANWGGNBRJ-ZETCQYMHSA-N 0 0 177.207 1.067 10 0 ADAERN CCc1cn2c(CO)csc2n1 40441253 571953291 /nfs/dbraw/zinc/95/32/91/571953291.db2.gz VUXLPOWLTIPJLR-UHFFFAOYSA-N 0 0 182.248 1.451 10 0 ADAERN Cc1ccc(N2C=NCC2)cc1 39081393 571953380 /nfs/dbraw/zinc/95/33/80/571953380.db2.gz RXWPRDVJPOSWQI-UHFFFAOYSA-N 0 0 160.220 1.843 10 0 ADAERN CC[C@H]1OCCn2cccc21 39080193 571953386 /nfs/dbraw/zinc/95/33/86/571953386.db2.gz AJTYMZRARFHNGF-SECBINFHSA-N 0 0 151.209 1.969 10 0 ADAERN OCCNn1ccc2ccccc21 139681626 571953542 /nfs/dbraw/zinc/95/35/42/571953542.db2.gz VQKCXPUOKIJSDX-UHFFFAOYSA-N 0 0 176.219 1.177 10 0 ADAERN CC(C)CN1CC[C@H](F)C1=O 39081314 571953830 /nfs/dbraw/zinc/95/38/30/571953830.db2.gz OCKIIWDIXYLSEK-ZETCQYMHSA-N 0 0 159.204 1.213 10 0 ADAERN CCn1cnc(C([NH3+])(CC)CC)c1 687687477 571953576 /nfs/dbraw/zinc/95/35/76/571953576.db2.gz SRZQRCWMUFOAHO-UHFFFAOYSA-N 0 0 181.283 1.877 10 0 ADAERN CSc1cc2c(nn1)NCC2 140591691 571953598 /nfs/dbraw/zinc/95/35/98/571953598.db2.gz UVFPWAQUUOLYPI-UHFFFAOYSA-N 0 0 167.237 1.167 10 0 ADAERN CC/C(=C/COC)C(=O)OC 216736236 571953687 /nfs/dbraw/zinc/95/36/87/571953687.db2.gz VMJXQFXGKSIJAP-ALCCZGGFSA-N 0 0 158.197 1.142 10 0 ADAERN C[C@@H]1NC(=O)N(c2ccccc2)N1 139620175 571953709 /nfs/dbraw/zinc/95/37/09/571953709.db2.gz GZHGJANWGGNBRJ-SSDOTTSWSA-N 0 0 177.207 1.067 10 0 ADAERN COC[C@H](C)[C@@H](O)c1cncs1 687687499 571953716 /nfs/dbraw/zinc/95/37/16/571953716.db2.gz VITPJUDYDQLPFR-POYBYMJQSA-N 0 0 187.264 1.459 10 0 ADAERN CC(C)[C@H]1COC(=O)N1C 39079131 571953725 /nfs/dbraw/zinc/95/37/25/571953725.db2.gz NVMZTXZHECIZMZ-ZCFIWIBFSA-N 0 0 143.186 1.093 10 0 ADAERN CC[C@H](C)Sc1ncc(N)cn1 40456232 571953747 /nfs/dbraw/zinc/95/37/47/571953747.db2.gz NKLLDJHTYHUTBS-LURJTMIESA-N 0 0 183.280 1.949 10 0 ADAERN c1cc2c3c(c1)NCN3CCC2 11737046 571953771 /nfs/dbraw/zinc/95/37/71/571953771.db2.gz UMTKULONWPJCOZ-UHFFFAOYSA-N 0 0 160.220 1.822 10 0 ADAERN CCc1[nH+]c(N)[nH]c1[C@@H](O)C(C)C 139623982 571953807 /nfs/dbraw/zinc/95/38/07/571953807.db2.gz LSMVGSVWCOXKEM-QMMMGPOBSA-N 0 0 183.255 1.244 10 0 ADAERN O=c1[nH]c2ccc(F)cc2cc1CO 11727921 571954002 /nfs/dbraw/zinc/95/40/02/571954002.db2.gz MPGROULTSRANHD-UHFFFAOYSA-N 0 0 193.177 1.160 10 0 ADAERN OCC[C@@H]1C[C@H]2C=C[C@@H]1C2 140595990 571954047 /nfs/dbraw/zinc/95/40/47/571954047.db2.gz CZYVCAJKUNEWLC-DJLDLDEBSA-N 0 0 138.210 1.581 10 0 ADAERN COC[C@H](C)C1=CCC(=O)CC1 687687549 571954016 /nfs/dbraw/zinc/95/40/16/571954016.db2.gz XTJCGKBPMMEYBK-QMMMGPOBSA-N 0 0 168.236 1.948 10 0 ADAERN CN(c1ncc(N)cn1)C1CCCC1 40455597 571954030 /nfs/dbraw/zinc/95/40/30/571954030.db2.gz HBSDTCPQQUSFNB-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN CCN(C)c1ccc(C)cc1CO 233979713 571954258 /nfs/dbraw/zinc/95/42/58/571954258.db2.gz WLDKHJWYHFCIMM-UHFFFAOYSA-N 0 0 179.263 1.943 10 0 ADAERN COC[C@H](C)[C@H](O)c1cncs1 687687501 571954119 /nfs/dbraw/zinc/95/41/19/571954119.db2.gz VITPJUDYDQLPFR-XPUUQOCRSA-N 0 0 187.264 1.459 10 0 ADAERN CC(C)(C)C1(OC(N)=O)CC(O)C1 40448673 571954120 /nfs/dbraw/zinc/95/41/20/571954120.db2.gz MHDRNSMKSYPOCG-UHFFFAOYSA-N 0 0 187.239 1.021 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]2CCC[C@H]2[NH2+]1 140584510 571954186 /nfs/dbraw/zinc/95/41/86/571954186.db2.gz OODZXJWWMUWYHL-YIZRAAEISA-N 0 0 183.251 1.382 10 0 ADAERN Cc1cn2c(CO)csc2n1 40441254 571954087 /nfs/dbraw/zinc/95/40/87/571954087.db2.gz XVUHSJCGZXYLRG-UHFFFAOYSA-N 0 0 168.221 1.197 10 0 ADAERN CCCCN1C[C@@H]1COC 39079127 571954232 /nfs/dbraw/zinc/95/42/32/571954232.db2.gz LNPLSHKFVZUTFV-VEDVMXKPSA-N 0 0 143.230 1.117 10 0 ADAERN Cc1ccc(NCc2ncno2)cc1 40454106 571954359 /nfs/dbraw/zinc/95/43/59/571954359.db2.gz XSYISGMJJMBYID-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN CC1=C(Br)CC(=O)O1 139652954 571954448 /nfs/dbraw/zinc/95/44/48/571954448.db2.gz YRZNETJVKSVFDT-UHFFFAOYSA-N 0 0 176.997 1.560 10 0 ADAERN c1coc(-n2ccnc2)c1 39078094 571954485 /nfs/dbraw/zinc/95/44/85/571954485.db2.gz QXMHOHBYSAVSAG-UHFFFAOYSA-N 0 0 134.138 1.465 10 0 ADAERN CCC(C)(C)C(=O)C(=O)OC 139694617 571954500 /nfs/dbraw/zinc/95/45/00/571954500.db2.gz JDDTUZMZADFWOX-UHFFFAOYSA-N 0 0 158.197 1.165 10 0 ADAERN CCc1nc(C)cn1C#N 39078171 571954517 /nfs/dbraw/zinc/95/45/17/571954517.db2.gz YMJPBYVLNFBSFE-UHFFFAOYSA-N 0 0 135.170 1.083 10 0 ADAERN C[C@@H](O)CC(C)(C)Cl 139618532 571954531 /nfs/dbraw/zinc/95/45/31/571954531.db2.gz CVYIWWAHIHXVHX-RXMQYKEDSA-N 0 0 136.622 1.775 10 0 ADAERN CCC1=CCCC[C@@H]1O 139671106 571954700 /nfs/dbraw/zinc/95/47/00/571954700.db2.gz OCEYVRWLKQJZEG-QMMMGPOBSA-N 0 0 126.199 1.868 10 0 ADAERN C/C=C\C[C@@H]1COC(C)(C)[C@@H]1O 311748609 571954547 /nfs/dbraw/zinc/95/45/47/571954547.db2.gz CMRWTUZQLSEABM-UVSMVFJQSA-N 0 0 170.252 1.739 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H](C)C1CCC1 235526198 571954588 /nfs/dbraw/zinc/95/45/88/571954588.db2.gz JLTCUYUWSWMMDV-ORZBULNSSA-N 0 0 197.278 1.796 10 0 ADAERN CCC(C)(C)COC(N)=O 31622968 571954603 /nfs/dbraw/zinc/95/46/03/571954603.db2.gz FPAGVRGNEOLJQY-UHFFFAOYSA-N 0 0 145.202 1.518 10 0 ADAERN CC(C)NC(=S)OC(C)C 139651575 571954632 /nfs/dbraw/zinc/95/46/32/571954632.db2.gz NJCQELZGLMBUCO-UHFFFAOYSA-N 0 0 161.270 1.694 10 0 ADAERN COC[C@@H](C)[C@@H](O)CC(C)(C)OC 687687416 571954648 /nfs/dbraw/zinc/95/46/48/571954648.db2.gz LCJMBCRTHXGIRP-BDAKNGLRSA-N 0 0 190.283 1.445 10 0 ADAERN COC[C@H](C)[C@@]1(O)CSC[C@H]1C 687687647 571954650 /nfs/dbraw/zinc/95/46/50/571954650.db2.gz YWTVRXXFQXDTDP-YIZRAAEISA-N 0 0 190.308 1.383 10 0 ADAERN CCn1cncc1[C@H](O)[C@H](C)COC 687687377 571954658 /nfs/dbraw/zinc/95/46/58/571954658.db2.gz IQHLCUKVWILCNB-PSASIEDQSA-N 0 0 198.266 1.219 10 0 ADAERN C[C@H]([NH2+][C@H]1CC[C@@H]1C(=O)[O-])C1CC1 235524534 571954669 /nfs/dbraw/zinc/95/46/69/571954669.db2.gz VEKJZFDQVKUSGA-XVYDVKMFSA-N 0 0 183.251 1.238 10 0 ADAERN CCOC/C=C(\CC)C(=O)OC 216736339 571954693 /nfs/dbraw/zinc/95/46/93/571954693.db2.gz TUYCBXVIDMOACZ-SOFGYWHQSA-N 0 0 172.224 1.532 10 0 ADAERN CCC=C=C[C@@H](C)CO 139629101 571954709 /nfs/dbraw/zinc/95/47/09/571954709.db2.gz BKBWSABQMAUSBD-XCGJVMPOSA-N 0 0 126.199 1.736 10 0 ADAERN OC[C@H]1CNc2cc(Cl)ccc2C1 11984952 571956673 /nfs/dbraw/zinc/95/66/73/571956673.db2.gz DDBVGCOXERRAMQ-SSDOTTSWSA-N 0 0 197.665 1.917 10 0 ADAERN COC[C@H](C)[C@]1(O)CSC[C@@H]1C 687687645 571954835 /nfs/dbraw/zinc/95/48/35/571954835.db2.gz YWTVRXXFQXDTDP-XHNCKOQMSA-N 0 0 190.308 1.383 10 0 ADAERN O=C1N=CC(=O)c2c1[nH]c1ccccc21 113898878 571954858 /nfs/dbraw/zinc/95/48/58/571954858.db2.gz FFCZQVKVWGGQFB-UHFFFAOYSA-N 0 0 198.181 1.575 10 0 ADAERN O=C1COC[C@H](CC2CCCCC2)N1 139598940 571954896 /nfs/dbraw/zinc/95/48/96/571954896.db2.gz NZIGTFSVUSQSQY-JTQLQIEISA-N 0 0 197.278 1.472 10 0 ADAERN Oc1cc(Cl)ccc1-n1cnnn1 139670644 571954927 /nfs/dbraw/zinc/95/49/27/571954927.db2.gz QUHBOHVXMOMRHX-UHFFFAOYSA-N 0 0 196.597 1.021 10 0 ADAERN O=Cc1cnn([C@@H]2CCCCO2)c1 40543709 571954952 /nfs/dbraw/zinc/95/49/52/571954952.db2.gz IQNRFOOZOXZCOG-VIFPVBQESA-N 0 0 180.207 1.395 10 0 ADAERN CCC1=CCCC[C@H]1O 139671234 571954953 /nfs/dbraw/zinc/95/49/53/571954953.db2.gz OCEYVRWLKQJZEG-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@H]([NH2+][C@H]1CC[C@@H]1C(=O)[O-])C(C)(C)C 235524504 571954964 /nfs/dbraw/zinc/95/49/64/571954964.db2.gz FBQHERZNXBBBEU-CIUDSAMLSA-N 0 0 199.294 1.874 10 0 ADAERN C[S@@](=O)[C@H](C[NH3+])c1ccccc1 139617518 571954987 /nfs/dbraw/zinc/95/49/87/571954987.db2.gz OKCLBBQWPFAETJ-SKDRFNHKSA-N 0 0 183.276 1.065 10 0 ADAERN Oc1ccc(C2(O)CCC2)cc1F 139648905 571954993 /nfs/dbraw/zinc/95/49/93/571954993.db2.gz BDFHPZBGXMEPBW-UHFFFAOYSA-N 0 0 182.194 1.903 10 0 ADAERN NC(=O)c1nccc2c(O)cccc12 139603301 571955002 /nfs/dbraw/zinc/95/50/02/571955002.db2.gz WPKPFFFYSRTZQB-UHFFFAOYSA-N 0 0 188.186 1.039 10 0 ADAERN CCOC(=O)c1csc(C)c1N 139643941 571955011 /nfs/dbraw/zinc/95/50/11/571955011.db2.gz XFWSXCNSJFXGGD-UHFFFAOYSA-N 0 0 185.248 1.815 10 0 ADAERN Cc1ccc2nc(C=O)cnc2c1 40538487 571955031 /nfs/dbraw/zinc/95/50/31/571955031.db2.gz ZRWDXVSKJWFATI-UHFFFAOYSA-N 0 0 172.187 1.751 10 0 ADAERN COC[C@H](C)[C@@](C)(O)c1ccoc1 687687552 571955082 /nfs/dbraw/zinc/95/50/82/571955082.db2.gz YATGNVJUHOTKFN-WCBMZHEXSA-N 0 0 184.235 1.770 10 0 ADAERN COC[C@@H](C)[C@@](C)(O)c1ccoc1 687687550 571955092 /nfs/dbraw/zinc/95/50/92/571955092.db2.gz YATGNVJUHOTKFN-PSASIEDQSA-N 0 0 184.235 1.770 10 0 ADAERN C=Cc1cccc(C(=O)OC)c1O 139641075 571955096 /nfs/dbraw/zinc/95/50/96/571955096.db2.gz RQGTTYDNCPIEEQ-UHFFFAOYSA-N 0 0 178.187 1.822 10 0 ADAERN COc1ccc(O)c(OC)c1O 139670583 571955177 /nfs/dbraw/zinc/95/51/77/571955177.db2.gz XPWKQCXQOKBWRC-UHFFFAOYSA-N 0 0 170.164 1.115 10 0 ADAERN CCc1[nH]c([C@H]2C[C@@H]2C)nc1O 234315249 571955192 /nfs/dbraw/zinc/95/51/92/571955192.db2.gz ZQMBEUDGUNVYPV-WDSKDSINSA-N 0 0 166.224 1.801 10 0 ADAERN CCN(C)C(=O)Nc1ccccc1O 233440821 571957313 /nfs/dbraw/zinc/95/73/13/571957313.db2.gz NCRLZTUWVLXGTD-UHFFFAOYSA-N 0 0 194.234 1.876 10 0 ADAERN COc1ccc(NC[C@@H](C)OC)nc1 234787786 571957316 /nfs/dbraw/zinc/95/73/16/571957316.db2.gz BCKIXSHYQRXXFP-MRVPVSSYSA-N 0 0 196.250 1.537 10 0 ADAERN CCn1cncc1[C@@H](O)[C@H](C)COC 687687378 571955241 /nfs/dbraw/zinc/95/52/41/571955241.db2.gz IQHLCUKVWILCNB-SCZZXKLOSA-N 0 0 198.266 1.219 10 0 ADAERN CCc1[nH]c([C@H]2CCCOC2)nc1O 234314991 571955254 /nfs/dbraw/zinc/95/52/54/571955254.db2.gz OTKKTPFBQSIPHM-ZETCQYMHSA-N 0 0 196.250 1.572 10 0 ADAERN C[C@H]([NH2+][C@H]1CC[C@@H]1C(=O)[O-])C1CCC1 235524552 571955263 /nfs/dbraw/zinc/95/52/63/571955263.db2.gz ZRYJQYGFUBBGIM-HGNGGELXSA-N 0 0 197.278 1.628 10 0 ADAERN OCc1cc2c(cc1O)CCCC2 139643731 571955316 /nfs/dbraw/zinc/95/53/16/571955316.db2.gz NFLPXQOPLCUNJR-UHFFFAOYSA-N 0 0 178.231 1.763 10 0 ADAERN O=C1CN=Cc2ccc(Cl)cc2N1 140644300 571955279 /nfs/dbraw/zinc/95/52/79/571955279.db2.gz MMQOKLWBEHEFTN-UHFFFAOYSA-N 0 0 194.621 1.711 10 0 ADAERN C=CC(=O)O[C@H]1CCCCC1=O 139687414 571955282 /nfs/dbraw/zinc/95/52/82/571955282.db2.gz LDMNUUIPXLUTQT-QMMMGPOBSA-N 0 0 168.192 1.227 10 0 ADAERN CC1=CC(=O)N(CC(C)(C)C)C1=O 40494682 571955298 /nfs/dbraw/zinc/95/52/98/571955298.db2.gz MTSCBFIULWJIPT-UHFFFAOYSA-N 0 0 181.235 1.348 10 0 ADAERN COC[C@H](C)[C@](C)(O)c1ccoc1 687687553 571955312 /nfs/dbraw/zinc/95/53/12/571955312.db2.gz YATGNVJUHOTKFN-WPRPVWTQSA-N 0 0 184.235 1.770 10 0 ADAERN CC(C)[C@@]1(C)CC[C@H](C(=O)[O-])[NH2+]1 76598647 571955331 /nfs/dbraw/zinc/95/53/31/571955331.db2.gz BJPVPTQBXKYCHR-VXNVDRBHSA-N 0 0 171.240 1.238 10 0 ADAERN CCc1[nH]c([C@H]2C[C@H]2C)nc1O 234315263 571955336 /nfs/dbraw/zinc/95/53/36/571955336.db2.gz ZQMBEUDGUNVYPV-RITPCOANSA-N 0 0 166.224 1.801 10 0 ADAERN COC[C@@H](C)[C@H](O)c1cncs1 687687500 571955344 /nfs/dbraw/zinc/95/53/44/571955344.db2.gz VITPJUDYDQLPFR-SVRRBLITSA-N 0 0 187.264 1.459 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1cncs1 687687498 571955355 /nfs/dbraw/zinc/95/53/55/571955355.db2.gz VITPJUDYDQLPFR-HTRCEHHLSA-N 0 0 187.264 1.459 10 0 ADAERN Cc1cc2cc(O)c(N)cc2n1C 139680720 571955362 /nfs/dbraw/zinc/95/53/62/571955362.db2.gz UYUPOOXRIILASC-UHFFFAOYSA-N 0 0 176.219 1.775 10 0 ADAERN CCOC(=O)c1csnc1CC 140639305 571955369 /nfs/dbraw/zinc/95/53/69/571955369.db2.gz VPBXYWANKIGOHS-UHFFFAOYSA-N 0 0 185.248 1.882 10 0 ADAERN CC[C@@H](C)CC(=O)CC1OCCO1 233979108 571955387 /nfs/dbraw/zinc/95/53/87/571955387.db2.gz BNKACPKTKOSYOO-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN COC(OC)[C@@H](C)C(F)C=O 139601330 571955426 /nfs/dbraw/zinc/95/54/26/571955426.db2.gz PCEGCZQLOBGXQY-YIWIKUPCSA-N 0 0 164.176 1.610 10 0 ADAERN C[C@@H]1CCC(=O)N1C1CCCC1 39082389 571955450 /nfs/dbraw/zinc/95/54/50/571955450.db2.gz LLHBAMZESHYHMV-MRVPVSSYSA-N 0 0 167.252 1.940 10 0 ADAERN O[C@H]1CN=NN1c1ccccc1 139680636 571955456 /nfs/dbraw/zinc/95/54/56/571955456.db2.gz UCWXKEJBBRWAEE-QMMMGPOBSA-N 0 0 163.180 1.192 10 0 ADAERN CC[C@H](C)C(=O)CC1OCCO1 233979750 571955462 /nfs/dbraw/zinc/95/54/62/571955462.db2.gz AIJGUHOPONQUKE-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN CCc1[nH+]c(N)[nH]c1[C@H](O)C(C)C 139623910 571955487 /nfs/dbraw/zinc/95/54/87/571955487.db2.gz LSMVGSVWCOXKEM-MRVPVSSYSA-N 0 0 183.255 1.244 10 0 ADAERN CC(=O)SCC1CC1 140636986 571955488 /nfs/dbraw/zinc/95/54/88/571955488.db2.gz HZCSNUWZSGVZCH-UHFFFAOYSA-N 0 0 130.212 1.676 10 0 ADAERN C[C@H](O)CC(C)(C)Cl 139618399 571955495 /nfs/dbraw/zinc/95/54/95/571955495.db2.gz CVYIWWAHIHXVHX-YFKPBYRVSA-N 0 0 136.622 1.775 10 0 ADAERN C[C@@H](O)C[C@@]12C=C[C@@H](CC1=O)C2 139682346 571955503 /nfs/dbraw/zinc/95/55/03/571955503.db2.gz DRCJQSRRWNUJJN-KHQFGBGNSA-N 0 0 166.220 1.293 10 0 ADAERN CO[C@H](C)[C@](C)(O)CCC1CC1 234778996 571955555 /nfs/dbraw/zinc/95/55/55/571955555.db2.gz BWEBOSUMLJRMIR-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN CCn1cncc1[C@H](O)[C@@H](C)COC 687687379 571955572 /nfs/dbraw/zinc/95/55/72/571955572.db2.gz IQHLCUKVWILCNB-WCBMZHEXSA-N 0 0 198.266 1.219 10 0 ADAERN CCCC[C@H](O)CCCOC 79711992 571955688 /nfs/dbraw/zinc/95/56/88/571955688.db2.gz OGJWJDWNUCFZKE-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN COC[C@@H](C)[C@H](O)CC(C)(C)OC 687687419 571955700 /nfs/dbraw/zinc/95/57/00/571955700.db2.gz LCJMBCRTHXGIRP-RKDXNWHRSA-N 0 0 190.283 1.445 10 0 ADAERN Nc1cccc2c(=O)cc(C=O)oc12 139692207 571955735 /nfs/dbraw/zinc/95/57/35/571955735.db2.gz SPTHWJPMYCTJJW-UHFFFAOYSA-N 0 0 189.170 1.188 10 0 ADAERN COCc1ccc(C[NH3+])c(OC)c1 234779144 571955745 /nfs/dbraw/zinc/95/57/45/571955745.db2.gz NLPJWWHFAYRYJV-UHFFFAOYSA-N 0 0 181.235 1.300 10 0 ADAERN CC[C@@H]1CC=C[C@H]2COC(=O)N21 39082503 571955749 /nfs/dbraw/zinc/95/57/49/571955749.db2.gz VEAJIKINJDSFBM-SFYZADRCSA-N 0 0 167.208 1.546 10 0 ADAERN CCN(C)c1ccc(CO)cn1 40538633 571955754 /nfs/dbraw/zinc/95/57/54/571955754.db2.gz SYHDWBRBKYPCMH-UHFFFAOYSA-N 0 0 166.224 1.030 10 0 ADAERN CCc1[nH]c(C2CCOCC2)nc1O 234313340 571955901 /nfs/dbraw/zinc/95/59/01/571955901.db2.gz KZZAYIHDOMXNFP-UHFFFAOYSA-N 0 0 196.250 1.572 10 0 ADAERN CCc1[nH]c(C2CCC2)nc1O 234313257 571955932 /nfs/dbraw/zinc/95/59/32/571955932.db2.gz UESLZPVTFIIGTR-UHFFFAOYSA-N 0 0 166.224 1.945 10 0 ADAERN COC[C@H](C)[C@@H](O)CC(C)(C)OC 687687418 571955946 /nfs/dbraw/zinc/95/59/46/571955946.db2.gz LCJMBCRTHXGIRP-IUCAKERBSA-N 0 0 190.283 1.445 10 0 ADAERN C[C@@H]1C[C@@]1(CC[NH+](C)C)C(=O)[O-] 76598661 571955973 /nfs/dbraw/zinc/95/59/73/571955973.db2.gz NHZXOSBVXIXCDO-VXNVDRBHSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@]1(C(N)=O)C[C@H]2C=C[C@@H]1CC2 31667041 571956040 /nfs/dbraw/zinc/95/60/40/571956040.db2.gz UKWGNMKATXNYBI-XKSSXDPKSA-N 0 0 165.236 1.464 10 0 ADAERN C[C@H](O[C@@H]1CCCCO1)C1(O)CC1 34480011 571957336 /nfs/dbraw/zinc/95/73/36/571957336.db2.gz VUMZZMHKBTVVDV-DTWKUNHWSA-N 0 0 186.251 1.443 10 0 ADAERN C[C@H]1CC2(CNC(=O)C2)C[C@@H]1C 140605038 571956138 /nfs/dbraw/zinc/95/61/38/571956138.db2.gz CNCRBAYWBZGPBZ-YUMQZZPRSA-N 0 0 167.252 1.559 10 0 ADAERN O=c1cc2c3c(cccc3o1)OC2 11865309 571956157 /nfs/dbraw/zinc/95/61/57/571956157.db2.gz BNLHYGMVSBNVKM-UHFFFAOYSA-N 0 0 174.155 1.685 10 0 ADAERN CCc1[nH]c([C@@H]2C[C@H]2C)nc1O 234314751 571956163 /nfs/dbraw/zinc/95/61/63/571956163.db2.gz ZQMBEUDGUNVYPV-PHDIDXHHSA-N 0 0 166.224 1.801 10 0 ADAERN Cc1[nH]c(=N[N+](=O)[O-])sc1C 687758810 571956273 /nfs/dbraw/zinc/95/62/73/571956273.db2.gz BSFVKFCHRHHFPQ-UHFFFAOYSA-N 0 0 173.197 1.364 10 0 ADAERN C[C@H](O[N+](=O)[O-])c1ccc(CO)cc1 687757901 571956239 /nfs/dbraw/zinc/95/62/39/571956239.db2.gz SQARTOQUUIGYMA-ZETCQYMHSA-N 0 0 197.190 1.448 10 0 ADAERN CCOC(=O)C1=C(C)NCCC1 31719959 571956309 /nfs/dbraw/zinc/95/63/09/571956309.db2.gz ZHUYQXPBVJVFIC-UHFFFAOYSA-N 0 0 169.224 1.207 10 0 ADAERN C[C@H](O)c1cc(Cl)cc[n+]1[O-] 687757898 571956330 /nfs/dbraw/zinc/95/63/30/571956330.db2.gz HYKPGIOLRGSGNH-YFKPBYRVSA-N 0 0 173.599 1.027 10 0 ADAERN Cc1ccsc1[C@@H](O)CCCO 235795351 571956332 /nfs/dbraw/zinc/95/63/32/571956332.db2.gz QPBMRAANABFLBF-QMMMGPOBSA-N 0 0 186.276 1.862 10 0 ADAERN C[C@@H]1CC2(CNC(=O)C2)C[C@H]1C 140605218 571956348 /nfs/dbraw/zinc/95/63/48/571956348.db2.gz CNCRBAYWBZGPBZ-HTQZYQBOSA-N 0 0 167.252 1.559 10 0 ADAERN O=C1N[C@@H]2/C=C/CCCC[C@H]12 31720110 571956353 /nfs/dbraw/zinc/95/63/53/571956353.db2.gz XXGOAOFWGUZOGA-VJYOWIMYSA-N 0 0 151.209 1.231 10 0 ADAERN Cn1ncc([C@H](O)CC(C)(C)C)c1N 713151958 571956380 /nfs/dbraw/zinc/95/63/80/571956380.db2.gz ACJAWAZWRNCMKH-MRVPVSSYSA-N 0 0 197.282 1.472 10 0 ADAERN CCc1ccccc1NCCC(N)=O 36924344 571956388 /nfs/dbraw/zinc/95/63/88/571956388.db2.gz QBEGRWNTHUDFBI-UHFFFAOYSA-N 0 0 192.262 1.536 10 0 ADAERN CCc1[nH]c([C@@H]2CCCOC2)nc1O 234314506 571956391 /nfs/dbraw/zinc/95/63/91/571956391.db2.gz OTKKTPFBQSIPHM-SSDOTTSWSA-N 0 0 196.250 1.572 10 0 ADAERN O=C1[C@H]2CCC[C@@H]1[C@@H]1C=C[C@H]2O1 140610265 571956433 /nfs/dbraw/zinc/95/64/33/571956433.db2.gz ONSBKTHVMNVUEM-OJOKCITNSA-N 0 0 164.204 1.309 10 0 ADAERN CCc1ccc(Cl)oc1=O 40466936 571956448 /nfs/dbraw/zinc/95/64/48/571956448.db2.gz ZYNMHTMVKPNCBQ-UHFFFAOYSA-N 0 0 158.584 1.856 10 0 ADAERN Cc1cc2c3c(c1)CC(=O)N3CCC2 34511863 571956450 /nfs/dbraw/zinc/95/64/50/571956450.db2.gz JTPXZTXNJUQGHB-UHFFFAOYSA-N 0 0 187.242 1.830 10 0 ADAERN CCCC[C@@H](O)CCCOC 79711995 571956511 /nfs/dbraw/zinc/95/65/11/571956511.db2.gz OGJWJDWNUCFZKE-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CC(C)[C@@]1(C)CC[C@@H](C(=O)[O-])[NH2+]1 76598650 571956523 /nfs/dbraw/zinc/95/65/23/571956523.db2.gz BJPVPTQBXKYCHR-IONNQARKSA-N 0 0 171.240 1.238 10 0 ADAERN OC[C@H]1CNc2cc(F)ccc2C1 11984939 571956528 /nfs/dbraw/zinc/95/65/28/571956528.db2.gz ZMCZFNOTFMAKHG-SSDOTTSWSA-N 0 0 181.210 1.402 10 0 ADAERN C[C@@H](O[N+](=O)[O-])c1cccc(CO)c1 687757891 571956532 /nfs/dbraw/zinc/95/65/32/571956532.db2.gz AAJZEWUGGDFWSB-SSDOTTSWSA-N 0 0 197.190 1.448 10 0 ADAERN CCO[C@H](C(C)C)[C@H](O)C(F)F 687688493 571956592 /nfs/dbraw/zinc/95/65/92/571956592.db2.gz RAYZJFCOLIMQPR-NKWVEPMBSA-N 0 0 182.210 1.674 10 0 ADAERN C[C@@H](O[N+](=O)[O-])c1ccc(CO)cc1 687757900 571956620 /nfs/dbraw/zinc/95/66/20/571956620.db2.gz SQARTOQUUIGYMA-SSDOTTSWSA-N 0 0 197.190 1.448 10 0 ADAERN CC(C)SC(C)(C)[C@@H]([NH3+])C(=O)[O-] 79780117 571956622 /nfs/dbraw/zinc/95/66/22/571956622.db2.gz MSADRQUZKXVYJQ-LURJTMIESA-N 0 0 191.296 1.319 10 0 ADAERN O=Cc1cnn([C@H]2CCCCO2)c1 40543711 571956652 /nfs/dbraw/zinc/95/66/52/571956652.db2.gz IQNRFOOZOXZCOG-SECBINFHSA-N 0 0 180.207 1.395 10 0 ADAERN CCC[C@@H]([NH3+])CCCC(=O)[O-] 113894654 571956713 /nfs/dbraw/zinc/95/67/13/571956713.db2.gz MCZRYMNLXSCNRD-SSDOTTSWSA-N 0 0 159.229 1.369 10 0 ADAERN CCCCCC[C@@H](O)CO[N+](=O)[O-] 687757893 571956724 /nfs/dbraw/zinc/95/67/24/571956724.db2.gz AMPJPCMBOANOPH-MRVPVSSYSA-N 0 0 191.227 1.526 10 0 ADAERN O=C1[C@H]2CC[C@@H]1[C@H]1CC=C[C@@H]21 140616054 571956733 /nfs/dbraw/zinc/95/67/33/571956733.db2.gz UPKFBYDTPBFUHZ-RYPBNFRJSA-N 0 0 148.205 1.788 10 0 ADAERN CC1CCC2(CC1)N[C@@H](C)COC2=O 11950028 571956789 /nfs/dbraw/zinc/95/67/89/571956789.db2.gz AYPVTXOHQWCWLD-YUCVTWSNSA-N 0 0 197.278 1.470 10 0 ADAERN CCc1[nH]c(C[C@H]2CCCO2)nc1O 234313751 571956820 /nfs/dbraw/zinc/95/68/20/571956820.db2.gz WZDLZQIIEZBDMT-SSDOTTSWSA-N 0 0 196.250 1.399 10 0 ADAERN C[C@H](O[N+](=O)[O-])c1cccc(CO)c1 687757892 571956836 /nfs/dbraw/zinc/95/68/36/571956836.db2.gz AAJZEWUGGDFWSB-ZETCQYMHSA-N 0 0 197.190 1.448 10 0 ADAERN Cc1ccc(CC(=O)CCCO)cc1 235794855 571956842 /nfs/dbraw/zinc/95/68/42/571956842.db2.gz IWSQNGUCMMGIRV-UHFFFAOYSA-N 0 0 192.258 1.879 10 0 ADAERN Cc1nc[nH]c1CN1CCC=C(F)C1 687757884 571956853 /nfs/dbraw/zinc/95/68/53/571956853.db2.gz RPTZIEFQQMIARM-UHFFFAOYSA-N 0 0 195.241 1.777 10 0 ADAERN Cn1ncc([C@@H](O)CC(C)(C)C)c1N 713151969 571956887 /nfs/dbraw/zinc/95/68/87/571956887.db2.gz ACJAWAZWRNCMKH-QMMMGPOBSA-N 0 0 197.282 1.472 10 0 ADAERN CCC(CC)(OC)[C@@H](O)C(F)F 687688457 571956896 /nfs/dbraw/zinc/95/68/96/571956896.db2.gz OKCJXQWYVMAMCX-LURJTMIESA-N 0 0 182.210 1.818 10 0 ADAERN CO[C@H]1CCN(C(=O)OC(C)C)C1 234788641 571956911 /nfs/dbraw/zinc/95/69/11/571956911.db2.gz CSHNHGGZZVMKFV-QMMMGPOBSA-N 0 0 187.239 1.252 10 0 ADAERN C[C@@H](O)c1cc(Cl)cc[n+]1[O-] 687757897 571956935 /nfs/dbraw/zinc/95/69/35/571956935.db2.gz HYKPGIOLRGSGNH-RXMQYKEDSA-N 0 0 173.599 1.027 10 0 ADAERN CC(C)(O)COc1cccc(O)c1 113900620 571956958 /nfs/dbraw/zinc/95/69/58/571956958.db2.gz QZZLENMYIAIHMM-UHFFFAOYSA-N 0 0 182.219 1.542 10 0 ADAERN CCOC(=O)/C=C(\C)CCC=O 34638665 571956967 /nfs/dbraw/zinc/95/69/67/571956967.db2.gz GFWVJKCZYNWXLV-BQYQJAHWSA-N 0 0 170.208 1.475 10 0 ADAERN CC(C)CCOC(=O)c1coc(N)n1 96035850 571956992 /nfs/dbraw/zinc/95/69/92/571956992.db2.gz FNKNLPSIDULJTN-UHFFFAOYSA-N 0 0 198.222 1.460 10 0 in-vitro ADAERN COC(=O)c1scnc1C(C)=O 140633614 571956997 /nfs/dbraw/zinc/95/69/97/571956997.db2.gz AFRFXDRJEQKPLT-UHFFFAOYSA-N 0 0 185.204 1.132 10 0 ADAERN c1ccc(NC[C@]23COC[C@H]2C3)nc1 689245386 571957021 /nfs/dbraw/zinc/95/70/21/571957021.db2.gz YHPPVZFTTJWMKG-MWLCHTKSSA-N 0 0 190.246 1.530 10 0 ADAERN CCO[C@@H](C(C)C)[C@@H](O)C(F)F 687688495 571957040 /nfs/dbraw/zinc/95/70/40/571957040.db2.gz RAYZJFCOLIMQPR-RQJHMYQMSA-N 0 0 182.210 1.674 10 0 ADAERN OC[C@@H]1CNc2ccc(F)cc2C1 11984941 571957070 /nfs/dbraw/zinc/95/70/70/571957070.db2.gz HCAYTZSIHGKTDC-ZETCQYMHSA-N 0 0 181.210 1.402 10 0 ADAERN CCc1c(O)c(=O)ccn1CC(C)C 11919555 571957084 /nfs/dbraw/zinc/95/70/84/571957084.db2.gz CRPKQOFDZMHLBS-UHFFFAOYSA-N 0 0 195.262 1.772 10 0 ADAERN CC[C@H]1CC=C[C@H]2COC(=O)N21 39082501 571957087 /nfs/dbraw/zinc/95/70/87/571957087.db2.gz VEAJIKINJDSFBM-YUMQZZPRSA-N 0 0 167.208 1.546 10 0 ADAERN CCO[C@H](C(C)C)[C@@H](O)C(F)F 687688494 571957114 /nfs/dbraw/zinc/95/71/14/571957114.db2.gz RAYZJFCOLIMQPR-RNFRBKRXSA-N 0 0 182.210 1.674 10 0 ADAERN CO[C@H](C)C[C@]1(CO)CCCOC1 234781882 571957147 /nfs/dbraw/zinc/95/71/47/571957147.db2.gz ZMCOWYNOOXMSLU-ZJUUUORDSA-N 0 0 188.267 1.201 10 0 ADAERN Cc1ccccc1NC(N)=N[N+](=O)[O-] 687758715 571957153 /nfs/dbraw/zinc/95/71/53/571957153.db2.gz NXBMSCKSIIIDJV-UHFFFAOYSA-N 0 0 194.194 1.123 10 0 ADAERN Cc1ccc(C[C@H](O)CCCO)cc1 235794445 571957302 /nfs/dbraw/zinc/95/73/02/571957302.db2.gz PUIWPLXGFFWMAZ-GFCCVEGCSA-N 0 0 194.274 1.671 10 0 ADAERN CC(C)(C)OC(=O)C1=CNCCC1 31717191 571957306 /nfs/dbraw/zinc/95/73/06/571957306.db2.gz YPIIHSNQODYZFA-UHFFFAOYSA-N 0 0 183.251 1.595 10 0 ADAERN OC[C@H]1COc2c(Cl)cccc2N1 40565304 571958122 /nfs/dbraw/zinc/95/81/22/571958122.db2.gz ZNUFPYXBUYVRRW-LURJTMIESA-N 0 0 199.637 1.505 10 0 ADAERN Cc1cc(CO)c2ccccc2[n+]1[O-] 687757874 571957425 /nfs/dbraw/zinc/95/74/25/571957425.db2.gz SZPZZOAIJNSAFL-UHFFFAOYSA-N 0 0 189.214 1.274 10 0 ADAERN CCCCCC[C@H](O)CO[N+](=O)[O-] 687757894 571957433 /nfs/dbraw/zinc/95/74/33/571957433.db2.gz AMPJPCMBOANOPH-QMMMGPOBSA-N 0 0 191.227 1.526 10 0 ADAERN Cc1nc(C)c(Cl)c(C=O)n1 76598412 571957533 /nfs/dbraw/zinc/95/75/33/571957533.db2.gz WLXWVCDWGQFONG-UHFFFAOYSA-N 0 0 170.599 1.559 10 0 ADAERN Cc1ccc(N(C)CCCO)nc1 300816182 571957536 /nfs/dbraw/zinc/95/75/36/571957536.db2.gz LZAHWCMMDWLXCQ-UHFFFAOYSA-N 0 0 180.251 1.209 10 0 ADAERN CC1=CC[C@@H](C)C(=O)O1 12243847 571959767 /nfs/dbraw/zinc/95/97/67/571959767.db2.gz WOOCSZFJXZXUTJ-RXMQYKEDSA-N 0 0 126.155 1.473 10 0 ADAERN C[C@@H](O)[C@H](O)CCOc1ccccc1 687688887 571959682 /nfs/dbraw/zinc/95/96/82/571959682.db2.gz QYUJTTMGSMNIDV-MWLCHTKSSA-N 0 0 196.246 1.197 10 0 ADAERN CCC[C@H]([NH3+])CCCC(=O)[O-] 113894657 571957727 /nfs/dbraw/zinc/95/77/27/571957727.db2.gz MCZRYMNLXSCNRD-ZETCQYMHSA-N 0 0 159.229 1.369 10 0 ADAERN CCO[C@@H](C(C)C)[C@H](O)C(F)F 687688492 571957748 /nfs/dbraw/zinc/95/77/48/571957748.db2.gz RAYZJFCOLIMQPR-BQBZGAKWSA-N 0 0 182.210 1.674 10 0 ADAERN COc1ccc2ccc(=O)n(C)c2c1 34500662 571957786 /nfs/dbraw/zinc/95/77/86/571957786.db2.gz PVBOKVVSQYTSDQ-UHFFFAOYSA-N 0 0 189.214 1.547 10 0 ADAERN Cc1ccccc1CC(=O)CCCO 235796621 571957805 /nfs/dbraw/zinc/95/78/05/571957805.db2.gz KAHSGSQXHXRYFU-UHFFFAOYSA-N 0 0 192.258 1.879 10 0 ADAERN C[C@H](CON)Oc1ccc(F)cc1 34512528 571957810 /nfs/dbraw/zinc/95/78/10/571957810.db2.gz VVEHNXYFQJPMEY-SSDOTTSWSA-N 0 0 185.198 1.483 10 0 ADAERN C[C@H](O[C@H]1CCCCO1)C1(O)CC1 34480012 571957897 /nfs/dbraw/zinc/95/78/97/571957897.db2.gz VUMZZMHKBTVVDV-IUCAKERBSA-N 0 0 186.251 1.443 10 0 ADAERN CCc1cccnc1[C@H](O)C(F)F 687688378 571957906 /nfs/dbraw/zinc/95/79/06/571957906.db2.gz GKTVJZUFKZSLIX-QMMMGPOBSA-N 0 0 187.189 1.943 10 0 ADAERN COCC[C@H](O)c1cc(C)nc(C)c1 687688987 571959774 /nfs/dbraw/zinc/95/97/74/571959774.db2.gz BKKUTUOQPFADFM-NSHDSACASA-N 0 0 195.262 1.768 10 0 ADAERN O=C(NO)N[C@@H]1C[C@@H]1c1ccccc1 140698695 571957986 /nfs/dbraw/zinc/95/79/86/571957986.db2.gz VLMAQIGIHAFQRM-RKDXNWHRSA-N 0 0 192.218 1.231 10 0 ADAERN CCCCc1nnc2c(N)cccn12 31862648 571958099 /nfs/dbraw/zinc/95/80/99/571958099.db2.gz YRRBSAXVQOIKDE-UHFFFAOYSA-N 0 0 190.250 1.654 10 0 ADAERN c1ccc(NC[C@@]23COC[C@@H]2C3)nc1 689245389 571958003 /nfs/dbraw/zinc/95/80/03/571958003.db2.gz YHPPVZFTTJWMKG-ONGXEEELSA-N 0 0 190.246 1.530 10 0 ADAERN C[C@H]1CCC[C@@H](COCCC(N)=O)C1 300817273 571958041 /nfs/dbraw/zinc/95/80/41/571958041.db2.gz ZMBFFIGYDCJHGS-VHSXEESVSA-N 0 0 199.294 1.705 10 0 ADAERN CCc1[nH]c(-c2ccncn2)nc1O 234317126 571958070 /nfs/dbraw/zinc/95/80/70/571958070.db2.gz RGNUFJGAHWLZQZ-UHFFFAOYSA-N 0 0 190.206 1.135 10 0 ADAERN CCc1[nH]c(-c2cnccn2)nc1O 234317232 571958093 /nfs/dbraw/zinc/95/80/93/571958093.db2.gz AVNOOIIKYSIEOB-UHFFFAOYSA-N 0 0 190.206 1.135 10 0 ADAERN CCOCC(=O)[C@H]1CCOC[C@@H]1C 300817145 571958150 /nfs/dbraw/zinc/95/81/50/571958150.db2.gz BBZNMKWGCLBRDE-IUCAKERBSA-N 0 0 186.251 1.265 10 0 ADAERN CCc1nnc2c(N)cc(Cl)cn12 31862989 571958165 /nfs/dbraw/zinc/95/81/65/571958165.db2.gz SOKSLNHPXAFONL-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN C[C@@H]1CCC[C@H](COCCC(N)=O)C1 300817275 571958210 /nfs/dbraw/zinc/95/82/10/571958210.db2.gz ZMBFFIGYDCJHGS-ZJUUUORDSA-N 0 0 199.294 1.705 10 0 ADAERN OC[C@@H]1CNc2cc(Cl)ccc2C1 11984950 571958223 /nfs/dbraw/zinc/95/82/23/571958223.db2.gz DDBVGCOXERRAMQ-ZETCQYMHSA-N 0 0 197.665 1.917 10 0 ADAERN CCn1nncc1C1CCC(=O)CC1 687688008 571958281 /nfs/dbraw/zinc/95/82/81/571958281.db2.gz CYDGAUKDHRSSLL-UHFFFAOYSA-N 0 0 193.250 1.525 10 0 ADAERN CC1CCC2(CC1)NC[C@@H](C)OC2=O 11950004 571958291 /nfs/dbraw/zinc/95/82/91/571958291.db2.gz KJLKIBCDNOHMHT-INWMGODYSA-N 0 0 197.278 1.470 10 0 ADAERN CCn1ccc(NC[C@@H](O)C(C)C)n1 300817756 571960468 /nfs/dbraw/zinc/96/04/68/571960468.db2.gz AGBSMKIUDLTENL-SECBINFHSA-N 0 0 197.282 1.332 10 0 ADAERN OC[C@@H]1CNc2cc(F)ccc2C1 11984937 571958386 /nfs/dbraw/zinc/95/83/86/571958386.db2.gz ZMCZFNOTFMAKHG-ZETCQYMHSA-N 0 0 181.210 1.402 10 0 ADAERN C[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C1CCC1 235528571 571958388 /nfs/dbraw/zinc/95/83/88/571958388.db2.gz QSCWJEXMJYOGNP-OIBJUYFYSA-N 0 0 197.278 1.628 10 0 ADAERN CCOCC[C@]1(C)CC[C@@H](O)C1 687689154 571960471 /nfs/dbraw/zinc/96/04/71/571960471.db2.gz MSYPBZKGDNXJDE-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cc(N)c2nnc(C3CC3)n2c1 31862825 571958417 /nfs/dbraw/zinc/95/84/17/571958417.db2.gz WHMILHNBBXZGKN-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN CCc1cccnc1[C@@H](O)C(F)F 687688377 571958430 /nfs/dbraw/zinc/95/84/30/571958430.db2.gz GKTVJZUFKZSLIX-MRVPVSSYSA-N 0 0 187.189 1.943 10 0 ADAERN COCCC1(CN2CCC(=O)C2)CC1 234787626 571958452 /nfs/dbraw/zinc/95/84/52/571958452.db2.gz CWMZOAUUVFIMTI-UHFFFAOYSA-N 0 0 197.278 1.078 10 0 ADAERN OCCc1noc2ccc(F)cc12 31887512 571958461 /nfs/dbraw/zinc/95/84/61/571958461.db2.gz YYHSSKZUEHULEC-UHFFFAOYSA-N 0 0 181.166 1.502 10 0 ADAERN C[C@H]1CCC[C@H](COCCC(N)=O)C1 300817271 571958507 /nfs/dbraw/zinc/95/85/07/571958507.db2.gz ZMBFFIGYDCJHGS-UWVGGRQHSA-N 0 0 199.294 1.705 10 0 ADAERN Cc1cc2onc(CCO)c2cc1C 31887504 571958517 /nfs/dbraw/zinc/95/85/17/571958517.db2.gz AMVOBXNTBKIVQT-UHFFFAOYSA-N 0 0 191.230 1.979 10 0 ADAERN OCc1cc(F)c2c(c1)NCCO2 140680237 571958519 /nfs/dbraw/zinc/95/85/19/571958519.db2.gz BDPOWDULUZNPSE-UHFFFAOYSA-N 0 0 183.182 1.122 10 0 ADAERN CCn1cnnc1CC1(COC)CC1 401523139 571958525 /nfs/dbraw/zinc/95/85/25/571958525.db2.gz PSMVPNUXJNRYRD-UHFFFAOYSA-N 0 0 195.266 1.267 10 0 ADAERN CC[C@@](C)(OC)[C@@H](O)CCOC 687689399 571960482 /nfs/dbraw/zinc/96/04/82/571960482.db2.gz KPTUOWYDVZCDJI-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN CCC[C@@H](OCC)[C@@H](O)CCOC 687689183 571960488 /nfs/dbraw/zinc/96/04/88/571960488.db2.gz NZWCMYBWJPDWEO-VHSXEESVSA-N 0 0 190.283 1.589 10 0 ADAERN CCOCC(=O)[C@H]1CCOC[C@H]1C 300817141 571958616 /nfs/dbraw/zinc/95/86/16/571958616.db2.gz BBZNMKWGCLBRDE-BDAKNGLRSA-N 0 0 186.251 1.265 10 0 ADAERN O[C@@]12CCO[C@@H]1Nc1ccccc12 40565302 571958642 /nfs/dbraw/zinc/95/86/42/571958642.db2.gz ARMDWESWZUMWSO-VHSXEESVSA-N 0 0 177.203 1.046 10 0 ADAERN CC(=O)O[C@@H]1C(=O)Nc2ccccc21 140687090 571958645 /nfs/dbraw/zinc/95/86/45/571958645.db2.gz JTYPCTLDANMIPD-VIFPVBQESA-N 0 0 191.186 1.243 10 0 ADAERN CC1=NN(c2ccccn2)C(C)C1=O 31886550 571958658 /nfs/dbraw/zinc/95/86/58/571958658.db2.gz PYMGNAHXXDFFAZ-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN CCc1[nH]c(-c2cccnc2)nc1O 234316989 571958664 /nfs/dbraw/zinc/95/86/64/571958664.db2.gz NGGWJONCNXUFQR-UHFFFAOYSA-N 0 0 189.218 1.740 10 0 ADAERN CC(=O)O[C@H]1C(=O)Nc2ccccc21 140687264 571958689 /nfs/dbraw/zinc/95/86/89/571958689.db2.gz JTYPCTLDANMIPD-SECBINFHSA-N 0 0 191.186 1.243 10 0 ADAERN Cc1ccc2c(CCO)noc2c1 31887478 571958690 /nfs/dbraw/zinc/95/86/90/571958690.db2.gz DNRCORWQAFZONU-UHFFFAOYSA-N 0 0 177.203 1.671 10 0 ADAERN CCc1[nH]c(-c2ccccn2)nc1O 234316975 571958694 /nfs/dbraw/zinc/95/86/94/571958694.db2.gz TXNVZJMQJCOQRZ-UHFFFAOYSA-N 0 0 189.218 1.740 10 0 ADAERN CCCc1cc(CO)ccc1O 140659024 571958706 /nfs/dbraw/zinc/95/87/06/571958706.db2.gz WTABUUKGTWNEHQ-UHFFFAOYSA-N 0 0 166.220 1.837 10 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193.312 1.360 10 0 ADAERN CCOCC(=O)[C@@H]1CCOC[C@@H]1C 300817143 571958931 /nfs/dbraw/zinc/95/89/31/571958931.db2.gz BBZNMKWGCLBRDE-DTWKUNHWSA-N 0 0 186.251 1.265 10 0 ADAERN Cc1cc(O)c(C)c(C)c1CO 140657732 571958946 /nfs/dbraw/zinc/95/89/46/571958946.db2.gz JKLBZSCXNLADRS-UHFFFAOYSA-N 0 0 166.220 1.810 10 0 ADAERN C[NH+](C)CCCCC/C=C/C(=O)[O-] 113917901 571958953 /nfs/dbraw/zinc/95/89/53/571958953.db2.gz DVUYOZVBBWQCRN-SOFGYWHQSA-N 0 0 185.267 1.749 10 0 ADAERN CC(C)Cc1nnc2c(N)cccn12 31862654 571960505 /nfs/dbraw/zinc/96/05/05/571960505.db2.gz DTBRWUHFZHQQDP-UHFFFAOYSA-N 0 0 190.250 1.510 10 0 ADAERN C[NH+](C)Cc1cc(C(=O)[O-])cs1 711391035 571959000 /nfs/dbraw/zinc/95/90/00/571959000.db2.gz VLXUPBDHNMLMMA-UHFFFAOYSA-N 0 0 185.248 1.508 10 0 ADAERN CCc1[nH]c(-c2ccncc2)nc1O 234317098 571959005 /nfs/dbraw/zinc/95/90/05/571959005.db2.gz CFJLJFSIWZUCDJ-UHFFFAOYSA-N 0 0 189.218 1.740 10 0 ADAERN CCC(CC)(OC)[C@H](O)C(F)F 687688458 571958966 /nfs/dbraw/zinc/95/89/66/571958966.db2.gz OKCJXQWYVMAMCX-ZCFIWIBFSA-N 0 0 182.210 1.818 10 0 ADAERN CCOCC(=O)[C@@H]1CCOC[C@H]1C 300817147 571959023 /nfs/dbraw/zinc/95/90/23/571959023.db2.gz BBZNMKWGCLBRDE-RKDXNWHRSA-N 0 0 186.251 1.265 10 0 ADAERN CCc1[nH]c(-c2ccoc2)nc1O 234317140 571959030 /nfs/dbraw/zinc/95/90/30/571959030.db2.gz QNQIOZWLOOSCLG-UHFFFAOYSA-N 0 0 178.191 1.938 10 0 ADAERN C[C@@]12CCC(=O)N1c1cccnc1N2 31840361 571960508 /nfs/dbraw/zinc/96/05/08/571960508.db2.gz HQHUPVAFMSPKPB-JTQLQIEISA-N 0 0 189.218 1.350 10 0 ADAERN Cc1cc(N)c2nnc(C(C)C)n2c1 31862819 571959140 /nfs/dbraw/zinc/95/91/40/571959140.db2.gz RZKGOXMUYHXNIH-UHFFFAOYSA-N 0 0 190.250 1.743 10 0 ADAERN C[NH+](C)CCCCC/C=C\C(=O)[O-] 113917898 571959142 /nfs/dbraw/zinc/95/91/42/571959142.db2.gz DVUYOZVBBWQCRN-VURMDHGXSA-N 0 0 185.267 1.749 10 0 ADAERN CCC[C@@H](O)CCC(C)=O 140682669 571959157 /nfs/dbraw/zinc/95/91/57/571959157.db2.gz KZPPEBIAPHLFQD-MRVPVSSYSA-N 0 0 144.214 1.517 10 0 ADAERN OC[C@@H]1COc2c(Cl)cccc2N1 40565306 571959165 /nfs/dbraw/zinc/95/91/65/571959165.db2.gz ZNUFPYXBUYVRRW-ZCFIWIBFSA-N 0 0 199.637 1.505 10 0 ADAERN Cc1cc(C)c2c(CCO)noc2c1 31887508 571959178 /nfs/dbraw/zinc/95/91/78/571959178.db2.gz PDKYIGTWDDWRGX-UHFFFAOYSA-N 0 0 191.230 1.979 10 0 ADAERN Cc1ccc2onc(CCO)c2c1 31887488 571959180 /nfs/dbraw/zinc/95/91/80/571959180.db2.gz BEUVFPHWQNAHET-UHFFFAOYSA-N 0 0 177.203 1.671 10 0 ADAERN CCc1[nH]c(-c2cncn2C)nc1O 234317248 571959186 /nfs/dbraw/zinc/95/91/86/571959186.db2.gz CUZYLIOOGPZZFC-UHFFFAOYSA-N 0 0 192.222 1.078 10 0 ADAERN C[C@@H](CON)Oc1ccc(F)cc1 34512526 571959218 /nfs/dbraw/zinc/95/92/18/571959218.db2.gz VVEHNXYFQJPMEY-ZETCQYMHSA-N 0 0 185.198 1.483 10 0 ADAERN CCc1cccc2c(CCO)noc12 31887476 571959239 /nfs/dbraw/zinc/95/92/39/571959239.db2.gz NELUNEOLRCYLTD-UHFFFAOYSA-N 0 0 191.230 1.925 10 0 ADAERN [NH3+]Cc1ccc2[nH]cc(C(=O)[O-])c2c1 214592680 571960514 /nfs/dbraw/zinc/96/05/14/571960514.db2.gz CWFULNYIDUKUEG-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN Cc1cc([C@@H]2CC[N@@H+](C)C2)on1 38760193 571959341 /nfs/dbraw/zinc/95/93/41/571959341.db2.gz LUGITUNNKYCYPD-MRVPVSSYSA-N 0 0 166.224 1.402 10 0 ADAERN [O-][n+]1cnc2c(c1)[nH]c1ccccc12 687758963 571959374 /nfs/dbraw/zinc/95/93/74/571959374.db2.gz UWVTUTRVNXCIND-UHFFFAOYSA-N 0 0 185.186 1.350 10 0 ADAERN CCc1nnc2c(N)cc(C)cn12 31862813 571959390 /nfs/dbraw/zinc/95/93/90/571959390.db2.gz MTESMBUCYINBHX-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CC(C)OC(=O)c1ccc(N)s1 31893741 571960518 /nfs/dbraw/zinc/96/05/18/571960518.db2.gz KTARYRFNYCRVAN-UHFFFAOYSA-N 0 0 185.248 1.896 10 0 ADAERN COCCC1=C[C@@H](O)C[C@H](C)C1 687689066 571959471 /nfs/dbraw/zinc/95/94/71/571959471.db2.gz GBECNEUXZWKCEF-SCZZXKLOSA-N 0 0 170.252 1.740 10 0 ADAERN C[C@@H]1CCC[C@@H](COCCC(N)=O)C1 300817269 571959569 /nfs/dbraw/zinc/95/95/69/571959569.db2.gz ZMBFFIGYDCJHGS-NXEZZACHSA-N 0 0 199.294 1.705 10 0 ADAERN COCC[C@@H](O)[C@@H]1CC1(C)C 687689493 571959591 /nfs/dbraw/zinc/95/95/91/571959591.db2.gz GNXSRMXDYHWKNN-JGVFFNPUSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@H]1CC[N@@H+]([C@@H](C)CC(=O)[O-])C1 40718723 571959625 /nfs/dbraw/zinc/95/96/25/571959625.db2.gz MHQUGHHGRHGWNM-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CCOCC[C@]1(C)CC[C@H](O)C1 687689152 571960526 /nfs/dbraw/zinc/96/05/26/571960526.db2.gz MSYPBZKGDNXJDE-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN [NH3+]Cc1cccc2[nH]cc(C(=O)[O-])c12 214592759 571959684 /nfs/dbraw/zinc/95/96/84/571959684.db2.gz NSDUTZZAHXUSLO-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN COCC[C@H](O)c1ccc(F)cn1 687689369 571961225 /nfs/dbraw/zinc/96/12/25/571961225.db2.gz GDEGKJDVVYZUCR-VIFPVBQESA-N 0 0 185.198 1.291 10 0 ADAERN CC(C)c1csc2nc(N)nn12 31891181 571959679 /nfs/dbraw/zinc/95/96/79/571959679.db2.gz ULZPIYDFTQPBLW-UHFFFAOYSA-N 0 0 182.252 1.496 10 0 ADAERN CNC(=S)c1cc(C)ccn1 206378822 571959700 /nfs/dbraw/zinc/95/97/00/571959700.db2.gz JVYVMRLSJHYWPA-UHFFFAOYSA-N 0 0 166.249 1.285 10 0 ADAERN COCC[C@@H](O)[C@@H](OC)C(C)(C)C 687689090 571959745 /nfs/dbraw/zinc/95/97/45/571959745.db2.gz HKOJENUYDVHCRU-RKDXNWHRSA-N 0 0 190.283 1.445 10 0 ADAERN CC[C@](C)(OC)[C@@H](O)CCOC 687689400 571959783 /nfs/dbraw/zinc/95/97/83/571959783.db2.gz KPTUOWYDVZCDJI-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN CCOCC[C@@]1(C)CC[C@H](O)C1 687689153 571959816 /nfs/dbraw/zinc/95/98/16/571959816.db2.gz MSYPBZKGDNXJDE-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN COCC[C@H](O)[C@@H]1CC[C@@H](C)C1 687689472 571959822 /nfs/dbraw/zinc/95/98/22/571959822.db2.gz ONMFWRUWLBLVIZ-BBBLOLIVSA-N 0 0 172.268 1.820 10 0 ADAERN C[NH2+][C@@H]1CCc2ccc(C(=O)[O-])cc21 113931206 571959829 /nfs/dbraw/zinc/95/98/29/571959829.db2.gz MNTYCLPWKYDURQ-SNVBAGLBSA-N 0 0 191.230 1.592 10 0 ADAERN COCC[C@@H](O)c1ncc(C)cc1C 687689011 571960535 /nfs/dbraw/zinc/96/05/35/571960535.db2.gz CVRIWJUKSKASDM-SNVBAGLBSA-N 0 0 195.262 1.768 10 0 ADAERN COCC[C@H](O)[C@@H]1CC[C@H](C)C1 687689470 571959858 /nfs/dbraw/zinc/95/98/58/571959858.db2.gz ONMFWRUWLBLVIZ-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN CCO[C@H](CC)[C@H](O)CCOC 687689418 571959882 /nfs/dbraw/zinc/95/98/82/571959882.db2.gz NCXZNQGAQAKNQK-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN CCO[C@@H](C1CC1)[C@@H](O)C(F)F 687689117 571959841 /nfs/dbraw/zinc/95/98/41/571959841.db2.gz JKRMQLLYOBYBIR-RQJHMYQMSA-N 0 0 180.194 1.428 10 0 ADAERN COCC[C@@H](O)[C@H]1CC1(C)C 687689492 571959920 /nfs/dbraw/zinc/95/99/20/571959920.db2.gz GNXSRMXDYHWKNN-HTQZYQBOSA-N 0 0 158.241 1.430 10 0 ADAERN COCC[C@H](O)c1ncc(C)cc1C 687689010 571959941 /nfs/dbraw/zinc/95/99/41/571959941.db2.gz CVRIWJUKSKASDM-JTQLQIEISA-N 0 0 195.262 1.768 10 0 ADAERN Cc1ccc2c(CCO)noc2c1C 31887497 571959950 /nfs/dbraw/zinc/95/99/50/571959950.db2.gz FSWUOLXJQSYQDR-UHFFFAOYSA-N 0 0 191.230 1.979 10 0 ADAERN CCC(CC)[C@H](O)[C@H](O)C(F)F 687688579 571959982 /nfs/dbraw/zinc/95/99/82/571959982.db2.gz YSMAEAJZTFJPBH-BQBZGAKWSA-N 0 0 182.210 1.410 10 0 ADAERN O[C@@H](COCC(F)(F)F)C(F)F 687688571 571959987 /nfs/dbraw/zinc/95/99/87/571959987.db2.gz YDBGBRLXBARHME-VKHMYHEASA-N 0 0 194.099 1.191 10 0 ADAERN C[NH2+][C@H](CCC1CC1)c1cn(C)cn1 234471091 571960038 /nfs/dbraw/zinc/96/00/38/571960038.db2.gz HGBMZOVSBMDRGI-SNVBAGLBSA-N 0 0 193.294 1.871 10 0 ADAERN COCC[C@H](O)C(C1CC1)C1CC1 687689396 571960041 /nfs/dbraw/zinc/96/00/41/571960041.db2.gz KKJPACBDXILGGV-JTQLQIEISA-N 0 0 184.279 1.820 10 0 ADAERN COCC[C@@H](O)CCOCC(F)F 687689211 571960045 /nfs/dbraw/zinc/96/00/45/571960045.db2.gz QHZFLADJCUILGF-SSDOTTSWSA-N 0 0 198.209 1.056 10 0 ADAERN Cc1ccccc1C[C@@H](O)CCCO 235800321 571960046 /nfs/dbraw/zinc/96/00/46/571960046.db2.gz AEEMZTIQNSAMEE-LBPRGKRZSA-N 0 0 194.274 1.671 10 0 ADAERN C[C@@H](N)C(=O)c1cc2ccoc2cn1 214594086 571960053 /nfs/dbraw/zinc/96/00/53/571960053.db2.gz YRFBEJZIDYZOTN-ZCFIWIBFSA-N 0 0 190.202 1.358 10 0 ADAERN [O-][n+]1ccccc1Nc1ccccn1 687759229 571960069 /nfs/dbraw/zinc/96/00/69/571960069.db2.gz INSJIQYRHQXNGC-UHFFFAOYSA-N 0 0 187.202 1.459 10 0 ADAERN COCC[C@H](O)c1ncccc1F 687689364 571960075 /nfs/dbraw/zinc/96/00/75/571960075.db2.gz FSGOUKHYQKUJRC-QMMMGPOBSA-N 0 0 185.198 1.291 10 0 ADAERN Cc1nc(C)c(=O)[nH]c1CC(C)C 38760880 571960082 /nfs/dbraw/zinc/96/00/82/571960082.db2.gz CHZJKPGLMQFFIG-UHFFFAOYSA-N 0 0 180.251 1.585 10 0 ADAERN CCO[C@H](CC)[C@@H](O)CCOC 687689416 571960097 /nfs/dbraw/zinc/96/00/97/571960097.db2.gz NCXZNQGAQAKNQK-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN C/C(=C\c1ccn(C)n1)[N+](=O)[O-] 394892342 571960122 /nfs/dbraw/zinc/96/01/22/571960122.db2.gz XBRMFQLPUNIZKF-AATRIKPKSA-N 0 0 167.168 1.058 10 0 ADAERN O=C1CC[C@H](O)[C@@H]2CCCC[C@@H]12 31880644 571960133 /nfs/dbraw/zinc/96/01/33/571960133.db2.gz RGHCXQPNVVXRSE-HLTSFMKQSA-N 0 0 168.236 1.517 10 0 ADAERN C[C@@H](N)C(=O)c1coc2ncccc12 214594608 571960154 /nfs/dbraw/zinc/96/01/54/571960154.db2.gz CJOWJOAMPAMYQE-ZCFIWIBFSA-N 0 0 190.202 1.358 10 0 ADAERN CCO[C@H](C(C)C)[C@H](O)CCOC 687689241 571960551 /nfs/dbraw/zinc/96/05/51/571960551.db2.gz UCVLXFUJVOBWAQ-NXEZZACHSA-N 0 0 190.283 1.445 10 0 ADAERN C[C@@H](N)C(=O)c1cc2cnccc2o1 214594733 571960162 /nfs/dbraw/zinc/96/01/62/571960162.db2.gz NWYLPXHRVFFNMK-ZCFIWIBFSA-N 0 0 190.202 1.358 10 0 ADAERN CCOC(=O)Cc1ccccc1C=O 39189565 571960171 /nfs/dbraw/zinc/96/01/71/571960171.db2.gz XWIUIRQSQROZGJ-UHFFFAOYSA-N 0 0 192.214 1.605 10 0 ADAERN Cc1nnc2c(N)cc(Cl)cn12 31862987 571960554 /nfs/dbraw/zinc/96/05/54/571960554.db2.gz MGCNCIPDPLESQT-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN CCCCc1nc2ccc[n+]([O-])c2[nH]1 687759755 571960229 /nfs/dbraw/zinc/96/02/29/571960229.db2.gz DJRHFCOBJUILMX-UHFFFAOYSA-N 0 0 191.234 1.539 10 0 ADAERN O[C@H](C[C@@H]1CCCCO1)C(F)F 687689246 571960261 /nfs/dbraw/zinc/96/02/61/571960261.db2.gz UHDCREGNBCNGRE-NKWVEPMBSA-N 0 0 180.194 1.572 10 0 ADAERN CCCCOC(=O)c1ccc(=O)[nH]n1 39212218 571960444 /nfs/dbraw/zinc/96/04/44/571960444.db2.gz QSMVTNZZUSDDNG-UHFFFAOYSA-N 0 0 196.206 1.139 10 0 ADAERN c1c[nH]c(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)n1 80147330 571960293 /nfs/dbraw/zinc/96/02/93/571960293.db2.gz ZTZVIDFOTPLPKW-AEJSXWLSSA-N 0 0 191.278 1.688 10 0 ADAERN CCO[P@]1(=O)C=C[C@@H](O)[C@@H]1C 206386571 571960314 /nfs/dbraw/zinc/96/03/14/571960314.db2.gz QYIXIGKMHMGLRH-MVKOHCKWSA-N 0 0 176.152 1.578 10 0 ADAERN C[C@]12CCC(=O)N1c1cccnc1N2 31840363 571960321 /nfs/dbraw/zinc/96/03/21/571960321.db2.gz HQHUPVAFMSPKPB-SNVBAGLBSA-N 0 0 189.218 1.350 10 0 ADAERN COCC[C@]1(C)CC[C@H](O)C1 687689292 571960562 /nfs/dbraw/zinc/96/05/62/571960562.db2.gz XQJONHDGDDIGQA-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN [NH3+]Cc1cccc2c(C(=O)[O-])c[nH]c12 214592522 571960345 /nfs/dbraw/zinc/96/03/45/571960345.db2.gz NGNVMDNFLXTTFB-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN c1c[nH]c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)n1 80147321 571960346 /nfs/dbraw/zinc/96/03/46/571960346.db2.gz ZTZVIDFOTPLPKW-IVZWLZJFSA-N 0 0 191.278 1.688 10 0 ADAERN COCC[C@H](O)[C@H]1CC[C@H](C)C1 687689474 571960361 /nfs/dbraw/zinc/96/03/61/571960361.db2.gz ONMFWRUWLBLVIZ-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN COCC[C@H](O)C1(OC)CCCC1 687689366 571960375 /nfs/dbraw/zinc/96/03/75/571960375.db2.gz FWIPCAKKTUCSGP-VIFPVBQESA-N 0 0 188.267 1.343 10 0 ADAERN CCC(CC)C(=O)c1ncnn1CC 388662864 571960447 /nfs/dbraw/zinc/96/04/47/571960447.db2.gz ANNPSGACFDBVPC-UHFFFAOYSA-N 0 0 195.266 1.917 10 0 ADAERN CC(C)c1nnc2c(N)cccn12 31862650 571960390 /nfs/dbraw/zinc/96/03/90/571960390.db2.gz DRAAHCKWBSBUQE-UHFFFAOYSA-N 0 0 176.223 1.435 10 0 ADAERN C[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C(C)(C)C 235528545 571960413 /nfs/dbraw/zinc/96/04/13/571960413.db2.gz SWNIGJNIRISFKE-IONNQARKSA-N 0 0 199.294 1.874 10 0 ADAERN COCC[C@H](O)[C@H]1CCCS1 687689486 571961235 /nfs/dbraw/zinc/96/12/35/571961235.db2.gz PNXNIOHHQQFTTM-JGVFFNPUSA-N 0 0 176.281 1.279 10 0 ADAERN COCC[C@H](O)[C@H]1CC[C@@H](C)C1 687689476 571960418 /nfs/dbraw/zinc/96/04/18/571960418.db2.gz ONMFWRUWLBLVIZ-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN COCC[C@@]1(C)CC[C@@H](O)C1 687689293 571960422 /nfs/dbraw/zinc/96/04/22/571960422.db2.gz XQJONHDGDDIGQA-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN O=C1CCC(Cc2csnn2)CC1 687688784 571960432 /nfs/dbraw/zinc/96/04/32/571960432.db2.gz ZIPNNFNEDFZVFP-UHFFFAOYSA-N 0 0 196.275 1.840 10 0 ADAERN COCCC1=C[C@@H](O)C[C@@H](C)C1 687689070 571960442 /nfs/dbraw/zinc/96/04/42/571960442.db2.gz GBECNEUXZWKCEF-WPRPVWTQSA-N 0 0 170.252 1.740 10 0 ADAERN CCc1ccc2onc(CCO)c2c1 31887491 571960563 /nfs/dbraw/zinc/96/05/63/571960563.db2.gz DFRFNPXOFFSFBX-UHFFFAOYSA-N 0 0 191.230 1.925 10 0 ADAERN C[C@H](N)C(=O)c1coc2cnccc12 214594418 571960596 /nfs/dbraw/zinc/96/05/96/571960596.db2.gz ODTBQOMTGFKFLV-LURJTMIESA-N 0 0 190.202 1.358 10 0 ADAERN C[C@@H]1c2cnccc2C[C@H]1O 12153446 571960664 /nfs/dbraw/zinc/96/06/64/571960664.db2.gz IOIGOIPHPUCFOB-HZGVNTEJSA-N 0 0 149.193 1.102 10 0 endogenous,in-man ADAERN O[C@@H](C[C@@H]1CCCCO1)C(F)F 687689245 571960667 /nfs/dbraw/zinc/96/06/67/571960667.db2.gz UHDCREGNBCNGRE-BQBZGAKWSA-N 0 0 180.194 1.572 10 0 ADAERN CC(=O)c1cccc2c1NC(=O)NC2 214595138 571960711 /nfs/dbraw/zinc/96/07/11/571960711.db2.gz GYSFUXUFURMJRU-UHFFFAOYSA-N 0 0 190.202 1.524 10 0 ADAERN CCC[C@H](OCC)[C@H](O)CCOC 687689184 571960677 /nfs/dbraw/zinc/96/06/77/571960677.db2.gz NZWCMYBWJPDWEO-ZJUUUORDSA-N 0 0 190.283 1.589 10 0 ADAERN C[C@H](N)C(=O)c1coc2ncccc12 214594554 571960695 /nfs/dbraw/zinc/96/06/95/571960695.db2.gz CJOWJOAMPAMYQE-LURJTMIESA-N 0 0 190.202 1.358 10 0 ADAERN COC1CC(O)(CCC2CC2)C1 234790262 571960752 /nfs/dbraw/zinc/96/07/52/571960752.db2.gz KCSWKUDUGBNYDB-UHFFFAOYSA-N 0 0 170.252 1.717 10 0 ADAERN Cn1cc(CC2=CCC(=O)CC2)nn1 687688810 571960757 /nfs/dbraw/zinc/96/07/57/571960757.db2.gz GJMJQLAMDGPVRM-UHFFFAOYSA-N 0 0 191.234 1.037 10 0 ADAERN CO[C@H](C)C(=O)N(C)c1ccncc1 234791587 571960760 /nfs/dbraw/zinc/96/07/60/571960760.db2.gz HQSVZRAVFPOIMO-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN CCCCOC(=O)[C@H](C)[C@@H](C)O 80310703 571960770 /nfs/dbraw/zinc/96/07/70/571960770.db2.gz LBEZBFLTUMLBMM-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN O[C@@H](C[C@H]1CCCCO1)C(F)F 687689248 571960800 /nfs/dbraw/zinc/96/08/00/571960800.db2.gz UHDCREGNBCNGRE-RQJHMYQMSA-N 0 0 180.194 1.572 10 0 ADAERN Cn1ncc(CC2=CCC(=O)CC2)n1 687688931 571960803 /nfs/dbraw/zinc/96/08/03/571960803.db2.gz YCPJQMIJIIEDDR-UHFFFAOYSA-N 0 0 191.234 1.037 10 0 ADAERN C[C@H](N)C(=O)c1cc2ncccc2o1 214594808 571960824 /nfs/dbraw/zinc/96/08/24/571960824.db2.gz OCFNNHWGQNSZPU-LURJTMIESA-N 0 0 190.202 1.358 10 0 ADAERN CCn1ncnc1C1=CCC(=O)CC1 687688873 571960830 /nfs/dbraw/zinc/96/08/30/571960830.db2.gz PGTKVZPOZUUCIM-UHFFFAOYSA-N 0 0 191.234 1.434 10 0 ADAERN CCO[C@H](C1CC1)[C@@H](O)C(F)F 687689116 571960838 /nfs/dbraw/zinc/96/08/38/571960838.db2.gz JKRMQLLYOBYBIR-RNFRBKRXSA-N 0 0 180.194 1.428 10 0 ADAERN Cc1ccncc1C(=O)CCCO 235800159 571960844 /nfs/dbraw/zinc/96/08/44/571960844.db2.gz OHGPDZMIORAAPZ-UHFFFAOYSA-N 0 0 179.219 1.345 10 0 ADAERN C[C@H]1c2cnccc2C[C@@H]1O 12153443 571960848 /nfs/dbraw/zinc/96/08/48/571960848.db2.gz IOIGOIPHPUCFOB-RCOVLWMOSA-N 0 0 149.193 1.102 10 0 endogenous,in-man ADAERN CCO[C@@H](CC)[C@@H](O)CCOC 687689417 571960854 /nfs/dbraw/zinc/96/08/54/571960854.db2.gz NCXZNQGAQAKNQK-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@H](O)C1(CCc2ccnn2C)CC1 235529175 571960858 /nfs/dbraw/zinc/96/08/58/571960858.db2.gz XGKQNFRMORHZGQ-VIFPVBQESA-N 0 0 194.278 1.514 10 0 ADAERN Cc1nc2ccccn2c1[C@@H](C)O 31913758 571960867 /nfs/dbraw/zinc/96/08/67/571960867.db2.gz BZPTZRIZQKFPBP-MRVPVSSYSA-N 0 0 176.219 1.696 10 0 ADAERN CCO[C@@H](CC)[C@H](O)CCOC 687689415 571960875 /nfs/dbraw/zinc/96/08/75/571960875.db2.gz NCXZNQGAQAKNQK-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@H](N)C(=O)c1cc2cnccc2o1 214594678 571960884 /nfs/dbraw/zinc/96/08/84/571960884.db2.gz NWYLPXHRVFFNMK-LURJTMIESA-N 0 0 190.202 1.358 10 0 ADAERN CC[C@@](C)(OC)[C@H](O)CCOC 687689401 571960918 /nfs/dbraw/zinc/96/09/18/571960918.db2.gz KPTUOWYDVZCDJI-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@@H](N)C(=O)c1coc2ccncc12 214594344 571960945 /nfs/dbraw/zinc/96/09/45/571960945.db2.gz QCJMHDRSRYTNPN-ZCFIWIBFSA-N 0 0 190.202 1.358 10 0 ADAERN O[C@H](C[C@H]1CCCCO1)C(F)F 687689247 571961183 /nfs/dbraw/zinc/96/11/83/571961183.db2.gz UHDCREGNBCNGRE-RNFRBKRXSA-N 0 0 180.194 1.572 10 0 ADAERN COCC[C@H](O)[C@@H]1CC1(C)C 687689495 571960959 /nfs/dbraw/zinc/96/09/59/571960959.db2.gz GNXSRMXDYHWKNN-YUMQZZPRSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@H](N)C(=O)c1coc2ccncc12 214594296 571960979 /nfs/dbraw/zinc/96/09/79/571960979.db2.gz QCJMHDRSRYTNPN-LURJTMIESA-N 0 0 190.202 1.358 10 0 ADAERN CCO[C@@H](C(C)C)[C@H](O)CCOC 687689244 571961008 /nfs/dbraw/zinc/96/10/08/571961008.db2.gz UCVLXFUJVOBWAQ-ZJUUUORDSA-N 0 0 190.283 1.445 10 0 ADAERN CC(C)c1nc2ccccn2c1CO 31914758 571961080 /nfs/dbraw/zinc/96/10/80/571961080.db2.gz TVAHOFVFZRKDPV-UHFFFAOYSA-N 0 0 190.246 1.950 10 0 ADAERN COCC[C@H](O)[C@H]1CC1(C)C 687689494 571961141 /nfs/dbraw/zinc/96/11/41/571961141.db2.gz GNXSRMXDYHWKNN-SFYZADRCSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@@H](O)[C@@H](O)CCOc1ccccc1 687688886 571961164 /nfs/dbraw/zinc/96/11/64/571961164.db2.gz QYUJTTMGSMNIDV-KOLCDFICSA-N 0 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/nfs/dbraw/zinc/96/13/32/571961332.db2.gz UCVLXFUJVOBWAQ-UWVGGRQHSA-N 0 0 190.283 1.445 10 0 ADAERN C[NH2+][C@](C)(CC(=O)[O-])c1ccccc1 80270589 571961334 /nfs/dbraw/zinc/96/13/34/571961334.db2.gz FBQQOQBHANDNLF-LLVKDONJSA-N 0 0 193.246 1.596 10 0 ADAERN COCC[C@@]1(C)CC[C@H](O)C1 687689291 571961338 /nfs/dbraw/zinc/96/13/38/571961338.db2.gz XQJONHDGDDIGQA-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN COCC[C@H](O)[C@@H](OC)C(C)(C)C 687689088 571961360 /nfs/dbraw/zinc/96/13/60/571961360.db2.gz HKOJENUYDVHCRU-DTWKUNHWSA-N 0 0 190.283 1.445 10 0 ADAERN C[C@H](O)[C@H](O)CCOc1ccccc1 687688885 571961365 /nfs/dbraw/zinc/96/13/65/571961365.db2.gz QYUJTTMGSMNIDV-GXSJLCMTSA-N 0 0 196.246 1.197 10 0 ADAERN CCO[C@H](C(C)C)[C@@H](O)CCOC 687689243 571961401 /nfs/dbraw/zinc/96/14/01/571961401.db2.gz UCVLXFUJVOBWAQ-VHSXEESVSA-N 0 0 190.283 1.445 10 0 ADAERN COC(=O)CCC[C@@H](C)OC(C)=O 12153710 571961415 /nfs/dbraw/zinc/96/14/15/571961415.db2.gz XZGQJRXRXRYNRI-SSDOTTSWSA-N 0 0 188.223 1.281 10 0 endogenous,in-man ADAERN CNC(=O)/C=C/c1ccc(C)c(N)c1 32008239 571961417 /nfs/dbraw/zinc/96/14/17/571961417.db2.gz ALHWVWYQNZVVOJ-AATRIKPKSA-N 0 0 190.246 1.336 10 0 ADAERN CC[C@](C)(OC)[C@H](O)CCOC 687689398 571961432 /nfs/dbraw/zinc/96/14/32/571961432.db2.gz KPTUOWYDVZCDJI-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN CC[C@H](C)N(C)c1ncncc1CO 300820592 571961465 /nfs/dbraw/zinc/96/14/65/571961465.db2.gz DCMLBIWBGCSWSJ-QMMMGPOBSA-N 0 0 195.266 1.204 10 0 ADAERN CCO[C@H](C1CC1)[C@H](O)C(F)F 687689115 571961478 /nfs/dbraw/zinc/96/14/78/571961478.db2.gz JKRMQLLYOBYBIR-NKWVEPMBSA-N 0 0 180.194 1.428 10 0 ADAERN COCC[C@@H](O)[C@@H]1CCCS1 687689487 571961482 /nfs/dbraw/zinc/96/14/82/571961482.db2.gz PNXNIOHHQQFTTM-SFYZADRCSA-N 0 0 176.281 1.279 10 0 ADAERN C[C@@H](N)C(=O)c1cc2ncccc2o1 214594859 571961607 /nfs/dbraw/zinc/96/16/07/571961607.db2.gz OCFNNHWGQNSZPU-ZCFIWIBFSA-N 0 0 190.202 1.358 10 0 ADAERN CCn1nncc1C(=O)CC(C)C 300821268 571961611 /nfs/dbraw/zinc/96/16/11/571961611.db2.gz HAUAHMHVBOLPPG-UHFFFAOYSA-N 0 0 181.239 1.527 10 0 ADAERN C[C@H](N)C(=O)c1coc2cccnc12 214594162 571961628 /nfs/dbraw/zinc/96/16/28/571961628.db2.gz TXLPNYSYANYNFY-LURJTMIESA-N 0 0 190.202 1.358 10 0 ADAERN CCn1nncc1[C@](O)(CC)C(C)C 300820399 571961656 /nfs/dbraw/zinc/96/16/56/571961656.db2.gz GZLZMOMOUFBFLB-JTQLQIEISA-N 0 0 197.282 1.552 10 0 ADAERN O=Cc1c[nH]c2cc3c(cc12)OCO3 32008161 571961661 /nfs/dbraw/zinc/96/16/61/571961661.db2.gz ZSRZOTBSPHGDQJ-UHFFFAOYSA-N 0 0 189.170 1.709 10 0 ADAERN COCC[C@@H](O)C1(OC)CCCC1 687689365 571961672 /nfs/dbraw/zinc/96/16/72/571961672.db2.gz FWIPCAKKTUCSGP-SECBINFHSA-N 0 0 188.267 1.343 10 0 ADAERN COCC[C@H](O)[C@H](OC)C(C)(C)C 687689089 571961694 /nfs/dbraw/zinc/96/16/94/571961694.db2.gz HKOJENUYDVHCRU-IUCAKERBSA-N 0 0 190.283 1.445 10 0 ADAERN CCC(CC)[C@@H](O)[C@H](O)C(F)F 687688582 571961699 /nfs/dbraw/zinc/96/16/99/571961699.db2.gz YSMAEAJZTFJPBH-RQJHMYQMSA-N 0 0 182.210 1.410 10 0 ADAERN COCC[C@@H](O)c1ncccc1F 687689363 571961712 /nfs/dbraw/zinc/96/17/12/571961712.db2.gz FSGOUKHYQKUJRC-MRVPVSSYSA-N 0 0 185.198 1.291 10 0 ADAERN CCn1ncnc1C1CCC(=O)CC1 687688860 571961718 /nfs/dbraw/zinc/96/17/18/571961718.db2.gz OITLVLYACSWHKK-UHFFFAOYSA-N 0 0 193.250 1.525 10 0 ADAERN COCC[C@@H](O)c1coc(C)n1 687689521 571961730 /nfs/dbraw/zinc/96/17/30/571961730.db2.gz RTHQQLHBOXOHOV-MRVPVSSYSA-N 0 0 171.196 1.053 10 0 ADAERN CCC[C@H](OCC)[C@@H](O)CCOC 687689182 571961743 /nfs/dbraw/zinc/96/17/43/571961743.db2.gz NZWCMYBWJPDWEO-UWVGGRQHSA-N 0 0 190.283 1.589 10 0 ADAERN COCCC1=C[C@H](O)C[C@H](C)C1 687689065 571961751 /nfs/dbraw/zinc/96/17/51/571961751.db2.gz GBECNEUXZWKCEF-PSASIEDQSA-N 0 0 170.252 1.740 10 0 ADAERN COCC[C@@H](O)c1cc(C)nc(C)c1 687688983 571961773 /nfs/dbraw/zinc/96/17/73/571961773.db2.gz BKKUTUOQPFADFM-LLVKDONJSA-N 0 0 195.262 1.768 10 0 ADAERN CCC(CC)[C@H](O)[C@@H](O)C(F)F 687688580 571961786 /nfs/dbraw/zinc/96/17/86/571961786.db2.gz YSMAEAJZTFJPBH-NKWVEPMBSA-N 0 0 182.210 1.410 10 0 ADAERN CCCOc1nc(C)cc(CO)n1 300821687 571961823 /nfs/dbraw/zinc/96/18/23/571961823.db2.gz DHNWWRLWFWHIJJ-UHFFFAOYSA-N 0 0 182.223 1.066 10 0 ADAERN CCOCC[C@@]1(C)CC[C@@H](O)C1 687689151 571961844 /nfs/dbraw/zinc/96/18/44/571961844.db2.gz MSYPBZKGDNXJDE-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@@H](N)C(=O)c1coc2cnccc12 214594487 571961852 /nfs/dbraw/zinc/96/18/52/571961852.db2.gz ODTBQOMTGFKFLV-ZCFIWIBFSA-N 0 0 190.202 1.358 10 0 ADAERN COCC[C@H](O)c1ccoc1C 687689506 571961876 /nfs/dbraw/zinc/96/18/76/571961876.db2.gz PZSMHSGLCYTXGP-VIFPVBQESA-N 0 0 170.208 1.658 10 0 ADAERN COC1(C[C@@H](CC2CC2)NN)CCC1 234791480 571961891 /nfs/dbraw/zinc/96/18/91/571961891.db2.gz UEOURJNGZWOABZ-SNVBAGLBSA-N 0 0 198.310 1.578 10 0 ADAERN C[C@H]1C=CC=C[C@H]2NC(=O)[C@@H]2C=C1 687761651 571961906 /nfs/dbraw/zinc/96/19/06/571961906.db2.gz GTYHSXXHJCAIMA-IVZWLZJFSA-N 0 0 175.231 1.419 10 0 ADAERN Cc1cc(-c2cccc(N)c2)nn1C 32007985 571961949 /nfs/dbraw/zinc/96/19/49/571961949.db2.gz IFMBTBKFQNDUDM-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C[C@H]1CCN(C(=O)c2cc(N)c[nH]2)C1 40716659 571961972 /nfs/dbraw/zinc/96/19/72/571961972.db2.gz QZMRNYZIEPWZBB-ZETCQYMHSA-N 0 0 193.250 1.079 10 0 ADAERN CNC(=O)CCc1ccc(C)c(N)c1 32008582 571961978 /nfs/dbraw/zinc/96/19/78/571961978.db2.gz PEMWABHIBCJRKT-UHFFFAOYSA-N 0 0 192.262 1.256 10 0 ADAERN Cc1cnc2c(C(N)=O)cccc2c1 40835059 571961995 /nfs/dbraw/zinc/96/19/95/571961995.db2.gz BRQFPNHEOMCVCI-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 in-vivo ADAERN CNC(=O)/C=C/c1ccc(F)c(N)c1 32008868 571962036 /nfs/dbraw/zinc/96/20/36/571962036.db2.gz BEZBLZBGOGMRDC-HWKANZROSA-N 0 0 194.209 1.167 10 0 ADAERN CC[C@@H](C)N(C)c1ncncc1CO 300820591 571962045 /nfs/dbraw/zinc/96/20/45/571962045.db2.gz DCMLBIWBGCSWSJ-MRVPVSSYSA-N 0 0 195.266 1.204 10 0 ADAERN COCC(=O)c1ccc(N)c(Cl)c1 78520574 571962556 /nfs/dbraw/zinc/96/25/56/571962556.db2.gz QWHUZTVJKKUSPU-UHFFFAOYSA-N 0 0 199.637 1.751 10 0 ADAERN C[C@H]1CC[C@@H](NC(=O)c2ccno2)C1 687689929 571962143 /nfs/dbraw/zinc/96/21/43/571962143.db2.gz JFYXKXHUADYQPJ-JGVFFNPUSA-N 0 0 194.234 1.593 10 0 ADAERN CO[C@H](C(C)=O)[C@@H]1CC[C@H](C)O1 687690307 571962158 /nfs/dbraw/zinc/96/21/58/571962158.db2.gz DQBZZHGKHCNHIU-CNUIFLNQSA-N 0 0 172.224 1.158 10 0 ADAERN CCOC(=O)[C@]1(C)CC1(C)C 59653581 571962165 /nfs/dbraw/zinc/96/21/65/571962165.db2.gz DARXXZREAINGQQ-VIFPVBQESA-N 0 0 156.225 1.986 10 0 ADAERN CCO[C@](C)(C(C)=O)[C@H]1CCCO1 687690523 571962174 /nfs/dbraw/zinc/96/21/74/571962174.db2.gz KRERNQKYDGNXAY-NXEZZACHSA-N 0 0 186.251 1.550 10 0 ADAERN C=CC(=O)O[C@@H](C)NC(C)(C)C 113459561 571962482 /nfs/dbraw/zinc/96/24/82/571962482.db2.gz AJXSEAWDCKYWOB-ZETCQYMHSA-N 0 0 171.240 1.450 10 0 ADAERN C[C@H](CO)c1cccc([C@@H](C)CO)c1 80222546 571962269 /nfs/dbraw/zinc/96/22/69/571962269.db2.gz YRHAVBZQQDQETF-AOOOYVTPSA-N 0 0 194.274 1.878 10 0 ADAERN CCCO[C@@]1(C(C)=O)CCOC1 687690658 571962294 /nfs/dbraw/zinc/96/22/94/571962294.db2.gz LWLDWIWBTQBTPE-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN COC(=O)C(C)(C)[C@H](O)c1ccco1 34638757 571962323 /nfs/dbraw/zinc/96/23/23/571962323.db2.gz UXTQQFQOPKNFBW-MRVPVSSYSA-N 0 0 198.218 1.512 10 0 ADAERN CCC(=O)[C@](C)(OC)[C@H]1CCCO1 687690285 571962329 /nfs/dbraw/zinc/96/23/29/571962329.db2.gz CLWVGYOUUDYTCQ-ZJUUUORDSA-N 0 0 186.251 1.550 10 0 ADAERN CC[C@H](C(=O)OC)c1ccncc1N 34638740 571962358 /nfs/dbraw/zinc/96/23/58/571962358.db2.gz TVGAZJSMTWGGPO-ZETCQYMHSA-N 0 0 194.234 1.330 10 0 ADAERN CCOC(=O)c1noc(OC)c1CC 34638763 571962388 /nfs/dbraw/zinc/96/23/88/571962388.db2.gz TUAVHLCXNGVTIT-UHFFFAOYSA-N 0 0 199.206 1.422 10 0 ADAERN COC1([C@H](O)C(F)F)CCC1 687690220 571962123 /nfs/dbraw/zinc/96/21/23/571962123.db2.gz RYKANAPDCNUGTH-RXMQYKEDSA-N 0 0 166.167 1.182 10 0 ADAERN Nc1ccc(F)cc1[C@H](O)C(F)F 687690213 571962140 /nfs/dbraw/zinc/96/21/40/571962140.db2.gz QXNUHXLKTNOSJZ-ZETCQYMHSA-N 0 0 191.152 1.706 10 0 ADAERN CCCCc1nc(CC)cc(=O)[nH]1 80316375 571962409 /nfs/dbraw/zinc/96/24/09/571962409.db2.gz IJJVVDQLIAVUDS-UHFFFAOYSA-N 0 0 180.251 1.675 10 0 ADAERN COCc1cncs1 113452864 571962421 /nfs/dbraw/zinc/96/24/21/571962421.db2.gz CWTKQAXSTULXGB-UHFFFAOYSA-N 0 0 129.184 1.290 10 0 ADAERN COC[C@](O)(CCC1CC1)C1CC1 234799791 571962431 /nfs/dbraw/zinc/96/24/31/571962431.db2.gz BDEMWBOPSIOQRF-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN CCO[C@@H](C1CC1)[C@H](O)CCOC 687689531 571962478 /nfs/dbraw/zinc/96/24/78/571962478.db2.gz SDMQHYGKRKQIGC-ZJUUUORDSA-N 0 0 188.267 1.199 10 0 ADAERN CO[C@]1(C(C)=O)CCOC[C@@H]1C 687690693 571962532 /nfs/dbraw/zinc/96/25/32/571962532.db2.gz MZCWWTRSNOYEOV-IONNQARKSA-N 0 0 172.224 1.017 10 0 ADAERN CCC(O)(CC)[C@H](O)C(F)F 687690178 571962545 /nfs/dbraw/zinc/96/25/45/571962545.db2.gz ONDCBHWNQPSEIS-RXMQYKEDSA-N 0 0 168.183 1.164 10 0 ADAERN Cc1ccncc1[C@@H](O)CCCO 235799880 571962571 /nfs/dbraw/zinc/96/25/71/571962571.db2.gz BREJNOORXGWYSF-JTQLQIEISA-N 0 0 181.235 1.196 10 0 ADAERN C[NH2+][C@@](C)(CC(=O)[O-])c1ccccc1 80270592 571962574 /nfs/dbraw/zinc/96/25/74/571962574.db2.gz FBQQOQBHANDNLF-NSHDSACASA-N 0 0 193.246 1.596 10 0 ADAERN Cc1cc(-c2ccc(N)cc2)n(C)n1 32007991 571962621 /nfs/dbraw/zinc/96/26/21/571962621.db2.gz OHVMIWLNDYZGKJ-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCC(=O)[C@@](C)(OC)[C@@H]1CCCO1 687690284 571962687 /nfs/dbraw/zinc/96/26/87/571962687.db2.gz CLWVGYOUUDYTCQ-VHSXEESVSA-N 0 0 186.251 1.550 10 0 ADAERN CO[C@]1(C(C)=O)CCOC1(C)C 687690354 571962703 /nfs/dbraw/zinc/96/27/03/571962703.db2.gz FPSAAADRSCZXAJ-VIFPVBQESA-N 0 0 172.224 1.160 10 0 ADAERN CCC[C@H](O)C[C@H](O)C(C)C 80267460 571962708 /nfs/dbraw/zinc/96/27/08/571962708.db2.gz MQGZXKXHEOYTQI-IUCAKERBSA-N 0 0 160.257 1.554 10 0 ADAERN CC(C)[C@@H](CO)[C@H](CO)C(C)C 59652586 571962749 /nfs/dbraw/zinc/96/27/49/571962749.db2.gz MGYUMVAIEXFVET-NXEZZACHSA-N 0 0 174.284 1.515 10 0 ADAERN CCOC[C@H](O)[C@H]1CCC(F)(F)C1 300820565 571962766 /nfs/dbraw/zinc/96/27/66/571962766.db2.gz DBXCBGVOLCECIB-YUMQZZPRSA-N 0 0 194.221 1.819 10 0 ADAERN COCC[C@@H](O)C(C)(C)SC 687689532 571962775 /nfs/dbraw/zinc/96/27/75/571962775.db2.gz SKRQSHCLJZKDMG-SSDOTTSWSA-N 0 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80741664 571968507 /nfs/dbraw/zinc/96/85/07/571968507.db2.gz FHXXAILMRUMJJE-PHDIDXHHSA-N 0 0 185.227 1.187 10 0 ADAERN CCC(=O)CC(C)(C)O 32175230 571968508 /nfs/dbraw/zinc/96/85/08/571968508.db2.gz NZOHNQRAGPQKMX-UHFFFAOYSA-N 0 0 130.187 1.127 10 0 ADAERN CC1(C)Cc2ccccc2[C@H](O)[C@H]1O 32171045 571968526 /nfs/dbraw/zinc/96/85/26/571968526.db2.gz BMTRGPKDGYQVCR-WDEREUQCSA-N 0 0 192.258 1.663 10 0 ADAERN CCO[C@@H](C(C)=O)[C@@H]1CCCO1 687692378 571968590 /nfs/dbraw/zinc/96/85/90/571968590.db2.gz POWYEXPDMKONAS-IUCAKERBSA-N 0 0 172.224 1.160 10 0 ADAERN CC[C@@](COC)(OC)C(C)=O 687691668 571968618 /nfs/dbraw/zinc/96/86/18/571968618.db2.gz ISNVYSLQYSLMEL-QMMMGPOBSA-N 0 0 160.213 1.017 10 0 ADAERN CCc1oc(C)nc1C 32163567 571968650 /nfs/dbraw/zinc/96/86/50/571968650.db2.gz XOOCKFZHDAFKNK-UHFFFAOYSA-N 0 0 125.171 1.854 10 0 endogenous,in-man ADAERN CCC(=O)[C@@H](OC)c1cncn1C 687693210 571968674 /nfs/dbraw/zinc/96/86/74/571968674.db2.gz WCQYFJNHNBGVRJ-VIFPVBQESA-N 0 0 182.223 1.087 10 0 ADAERN 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186.251 1.550 10 0 ADAERN C/C(C(=O)[O-])=C1/C[C@@H](C)[N@@H+](C2CC2)C1 229943419 571968777 /nfs/dbraw/zinc/96/87/77/571968777.db2.gz ZANLCQALCRARPK-BDGYDECCSA-N 0 0 195.262 1.644 10 0 ADAERN C[C@@H](CCCC(=O)[O-])[NH+]1CCC1 687692623 571968795 /nfs/dbraw/zinc/96/87/95/571968795.db2.gz DLJUKONDJIKJGH-QMMMGPOBSA-N 0 0 171.240 1.336 10 0 ADAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1 32177144 571968797 /nfs/dbraw/zinc/96/87/97/571968797.db2.gz OREGBNBTDPDRKX-BBBLOLIVSA-N 0 0 197.278 1.328 10 0 ADAERN O[C@H]1CCC[C@@]1(O)c1ccccc1 32156068 571968825 /nfs/dbraw/zinc/96/88/25/571968825.db2.gz CWTWKJLRHPCTRR-WDEREUQCSA-N 0 0 178.231 1.419 10 0 ADAERN CC[C@H]1OC(=O)[C@@H](F)S1 39088405 571968817 /nfs/dbraw/zinc/96/88/17/571968817.db2.gz ZLOSAPAETOTYJA-IMJSIDKUSA-N 0 0 150.174 1.308 10 0 ADAERN CO[C@@H](C(C)=O)c1cn(C)nc1C 687693174 571968844 /nfs/dbraw/zinc/96/88/44/571968844.db2.gz SSVNTKJQRJTYNV-VIFPVBQESA-N 0 0 182.223 1.005 10 0 ADAERN CCCSC(=S)N(C)C 32175131 571968850 /nfs/dbraw/zinc/96/88/50/571968850.db2.gz DAFYGLFCAJUUGS-UHFFFAOYSA-N 0 0 163.311 1.976 10 0 ADAERN C[C@]1(C(=O)[O-])CCC[C@@H]1[NH+]1CCC1 687692610 571968865 /nfs/dbraw/zinc/96/88/65/571968865.db2.gz CEIYIOMKEDDZHH-WPRPVWTQSA-N 0 0 183.251 1.336 10 0 ADAERN CCCCCOC(=O)c1cc(N)n[nH]1 80640202 571968874 /nfs/dbraw/zinc/96/88/74/571968874.db2.gz PTNSIDRSHVSRSK-UHFFFAOYSA-N 0 0 197.238 1.339 10 0 ADAERN CCn1ccc(C)cc1=O 32175546 571968898 /nfs/dbraw/zinc/96/88/98/571968898.db2.gz KCPRFGZSBHBAJB-UHFFFAOYSA-N 0 0 137.182 1.177 10 0 ADAERN CCN(Cc1ccccc1)C(=O)C=O 219323973 571968899 /nfs/dbraw/zinc/96/88/99/571968899.db2.gz LKQSFFXUWSYTKL-UHFFFAOYSA-N 0 0 191.230 1.234 10 0 ADAERN O=C([O-])C[C@@H]1C[C@@H]2CCCC[C@@H]2C[NH2+]1 32177360 571968921 /nfs/dbraw/zinc/96/89/21/571968921.db2.gz QCYAJZZBZNONCE-AEJSXWLSSA-N 0 0 197.278 1.629 10 0 ADAERN C/C(C(=O)[O-])=C1/C[C@H](C)[N@@H+](C2CC2)C1 229943426 571968938 /nfs/dbraw/zinc/96/89/38/571968938.db2.gz ZANLCQALCRARPK-MXMZYCHESA-N 0 0 195.262 1.644 10 0 ADAERN C/C=C(C)/C=C(\C)CO 59724808 571968964 /nfs/dbraw/zinc/96/89/64/571968964.db2.gz YZDKYYZSTTWZDN-NSLJXJERSA-N 0 0 126.199 1.891 10 0 ADAERN c1ccc(CNCc2cnco2)cc1 41050818 571968967 /nfs/dbraw/zinc/96/89/67/571968967.db2.gz BHWVAOCMDXQPFX-UHFFFAOYSA-N 0 0 188.230 1.964 10 0 ADAERN CO[C@@H](C(C)=O)c1c(C)nn(C)c1C 687692863 571968970 /nfs/dbraw/zinc/96/89/70/571968970.db2.gz LNZKITSJGARKKW-JTQLQIEISA-N 0 0 196.250 1.313 10 0 ADAERN C[C@H](CCCC(=O)[O-])[NH+]1CCC1 687692622 571969004 /nfs/dbraw/zinc/96/90/04/571969004.db2.gz DLJUKONDJIKJGH-MRVPVSSYSA-N 0 0 171.240 1.336 10 0 ADAERN CCSc1ccc(N)cc1C(N)=O 41046159 571969006 /nfs/dbraw/zinc/96/90/06/571969006.db2.gz OSUJRIFSXPEYKG-UHFFFAOYSA-N 0 0 196.275 1.480 10 0 ADAERN CCO[C@@H](C)c1noc([C@H](C)N)n1 80741668 571969048 /nfs/dbraw/zinc/96/90/48/571969048.db2.gz FHXXAILMRUMJJE-WDSKDSINSA-N 0 0 185.227 1.187 10 0 ADAERN CC(C)(C)C[C@H](CC(=O)[O-])[NH+]1CCC1 687692787 571969083 /nfs/dbraw/zinc/96/90/83/571969083.db2.gz VYRRVIDAQSESNJ-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCCO[C@H](C(C)=O)[C@H]1CCCO1 687692389 571969058 /nfs/dbraw/zinc/96/90/58/571969058.db2.gz VZEBDEKEFCTZKU-NXEZZACHSA-N 0 0 186.251 1.550 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 32177135 571969061 /nfs/dbraw/zinc/96/90/61/571969061.db2.gz OREGBNBTDPDRKX-AEJSXWLSSA-N 0 0 197.278 1.328 10 0 ADAERN COC(C(C)=O)(C1CC1)C1CC1 687693227 571969062 /nfs/dbraw/zinc/96/90/62/571969062.db2.gz XRQKBVOSIDDFNM-UHFFFAOYSA-N 0 0 168.236 1.781 10 0 ADAERN CCN(C)c1cccc(F)c1CO 233982882 571969066 /nfs/dbraw/zinc/96/90/66/571969066.db2.gz PSBGZCSYMAPYLS-UHFFFAOYSA-N 0 0 183.226 1.774 10 0 ADAERN CCCc1ncc(C)o1 32166953 571969071 /nfs/dbraw/zinc/96/90/71/571969071.db2.gz NZRDFBNIWMSPHP-UHFFFAOYSA-N 0 0 125.171 1.936 10 0 endogenous,in-man ADAERN O[C@@H]1CCC[C@]1(O)c1ccccc1 32156072 571969079 /nfs/dbraw/zinc/96/90/79/571969079.db2.gz CWTWKJLRHPCTRR-MNOVXSKESA-N 0 0 178.231 1.419 10 0 ADAERN CC[C@@](C)(O)CNc1cc(C)cnn1 233982507 571969152 /nfs/dbraw/zinc/96/91/52/571969152.db2.gz SYZNDYREWLQUNT-SNVBAGLBSA-N 0 0 195.266 1.358 10 0 ADAERN CCC(=O)[C@@H](OC)c1cnn(CC)c1 687692598 571969158 /nfs/dbraw/zinc/96/91/58/571969158.db2.gz AIVNNABLQWPUCY-JTQLQIEISA-N 0 0 196.250 1.570 10 0 ADAERN CC(C)[C@@]1(O)CC[C@H](C)[C@@H](O)C1 32175623 571969162 /nfs/dbraw/zinc/96/91/62/571969162.db2.gz PEFMIOBQXUUMNG-LPEHRKFASA-N 0 0 172.268 1.554 10 0 ADAERN NNc1ccnc(-c2cscn2)c1 686233655 571969173 /nfs/dbraw/zinc/96/91/73/571969173.db2.gz HHFKWPYQILHSJO-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC(C)Nc1ccc(N)c(C(N)=O)c1 41046098 571969193 /nfs/dbraw/zinc/96/91/93/571969193.db2.gz JDKXKAQQTNNCHT-UHFFFAOYSA-N 0 0 193.250 1.188 10 0 ADAERN CCOC(=O)[C@@H]1CCCCC[C@H]1O 32162328 571969199 /nfs/dbraw/zinc/96/91/99/571969199.db2.gz ALKWBBFKXDLSML-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN O[C@H]1CC[C@H]2CCCC[C@@H]2O1 32176711 571969222 /nfs/dbraw/zinc/96/92/22/571969222.db2.gz CYWSQFHGSSPMOF-HRDYMLBCSA-N 0 0 156.225 1.674 10 0 ADAERN CCn1c(CO)nnc1CCC(C)C 227936104 571969233 /nfs/dbraw/zinc/96/92/33/571969233.db2.gz HWVURPNABHSRMA-UHFFFAOYSA-N 0 0 197.282 1.379 10 0 ADAERN C[C@@H]1CCC(=O)S1 32175836 571969234 /nfs/dbraw/zinc/96/92/34/571969234.db2.gz BNHNVGAUODLKKT-SCSAIBSYSA-N 0 0 116.185 1.429 10 0 endogenous,in-man ADAERN CCCc1coc(C)n1 32166514 571969240 /nfs/dbraw/zinc/96/92/40/571969240.db2.gz RNLOKHYLXARFPN-UHFFFAOYSA-N 0 0 125.171 1.936 10 0 endogenous,in-man ADAERN C[C@@]1(C(=O)[O-])CCC[C@@H]1[NH+]1CCC1 687692609 571969245 /nfs/dbraw/zinc/96/92/45/571969245.db2.gz CEIYIOMKEDDZHH-WCBMZHEXSA-N 0 0 183.251 1.336 10 0 ADAERN CCCO[C@H](C(C)=O)[C@@H]1CCCO1 687692391 571969395 /nfs/dbraw/zinc/96/93/95/571969395.db2.gz VZEBDEKEFCTZKU-VHSXEESVSA-N 0 0 186.251 1.550 10 0 ADAERN CC(=O)c1cnc2c(n1)CCCC2 32170044 571969285 /nfs/dbraw/zinc/96/92/85/571969285.db2.gz JFQQHULILZCOIX-UHFFFAOYSA-N 0 0 176.219 1.558 10 0 ADAERN CCOc1cc(C2CC2)on1 39089183 571969290 /nfs/dbraw/zinc/96/92/90/571969290.db2.gz XFRCIVOBYDUPAV-UHFFFAOYSA-N 0 0 153.181 1.951 10 0 ADAERN CC1=C[C@@H](O)[C@H](C(C)(C)O)CC1 32165771 571969301 /nfs/dbraw/zinc/96/93/01/571969301.db2.gz MUTBSGZZTDPVPZ-RKDXNWHRSA-N 0 0 170.252 1.475 10 0 ADAERN CC(=O)C1SCCS1 32167697 571969323 /nfs/dbraw/zinc/96/93/23/571969323.db2.gz VDPJAYJVAJMICF-UHFFFAOYSA-N 0 0 148.252 1.382 10 0 ADAERN CCCO[C@H](C(C)=O)c1cncn1C 687693168 571969329 /nfs/dbraw/zinc/96/93/29/571969329.db2.gz SMSKRLIJYVQSTQ-SNVBAGLBSA-N 0 0 196.250 1.477 10 0 ADAERN CCOCCCN(C)[S@@](=O)CC 687816466 571969330 /nfs/dbraw/zinc/96/93/30/571969330.db2.gz SGXVQUGVYOCGEW-LBPRGKRZSA-N 0 0 193.312 1.028 10 0 ADAERN CC(C)(C)C[C@@H](CC(=O)[O-])[NH+]1CCC1 687692786 571969336 /nfs/dbraw/zinc/96/93/36/571969336.db2.gz VYRRVIDAQSESNJ-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CSC[C@@H](CO)SC 32161850 571969375 /nfs/dbraw/zinc/96/93/75/571969375.db2.gz NWIGMDHZYOQICC-RXMQYKEDSA-N 0 0 152.284 1.073 10 0 ADAERN COC(=O)N1C=CO[C@H]1C(C)(C)C 32156379 571969382 /nfs/dbraw/zinc/96/93/82/571969382.db2.gz YQBNMIPVQRSTKN-ZETCQYMHSA-N 0 0 185.223 1.928 10 0 ADAERN CC1=C[C@H](O)[C@@H](C(C)(C)O)CC1 32165769 571969399 /nfs/dbraw/zinc/96/93/99/571969399.db2.gz MUTBSGZZTDPVPZ-IUCAKERBSA-N 0 0 170.252 1.475 10 0 ADAERN CC1(C)O[C@@]12CCCCC2=O 32177864 571969405 /nfs/dbraw/zinc/96/94/05/571969405.db2.gz KHMIGEOLXGGVMM-SECBINFHSA-N 0 0 154.209 1.677 10 0 ADAERN CC[C@@H]1OC(=O)[C@@H](F)S1 39088404 571969416 /nfs/dbraw/zinc/96/94/16/571969416.db2.gz ZLOSAPAETOTYJA-DMTCNVIQSA-N 0 0 150.174 1.308 10 0 ADAERN CC(C)[C@@]1(O)CC[C@@H](C)[C@@H](O)C1 32175615 571970116 /nfs/dbraw/zinc/97/01/16/571970116.db2.gz PEFMIOBQXUUMNG-KXUCPTDWSA-N 0 0 172.268 1.554 10 0 ADAERN CCOC(=O)[C@@H]1CCCCC[C@@H]1O 32162324 571969453 /nfs/dbraw/zinc/96/94/53/571969453.db2.gz ALKWBBFKXDLSML-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN CCO[C@H](C(C)=O)c1cnn(CC)c1 687692695 571969459 /nfs/dbraw/zinc/96/94/59/571969459.db2.gz NTBBJBPBPDPBAL-SNVBAGLBSA-N 0 0 196.250 1.570 10 0 ADAERN CCOC(=O)[C@H]1CCCCC[C@@H]1O 32162326 571969460 /nfs/dbraw/zinc/96/94/60/571969460.db2.gz ALKWBBFKXDLSML-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN CCc1coc(C)n1 32163583 571969472 /nfs/dbraw/zinc/96/94/72/571969472.db2.gz FLRAVPRRUDBVKJ-UHFFFAOYSA-N 0 0 111.144 1.545 10 0 endogenous,in-man ADAERN CCO[C@]1(C(C)=O)CCCOC1 687692353 571969489 /nfs/dbraw/zinc/96/94/89/571969489.db2.gz HWGYGWGWAARKRM-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN CC1=C[C@@H](O)[C@@H](C(C)(C)O)CC1 32165768 571969506 /nfs/dbraw/zinc/96/95/06/571969506.db2.gz MUTBSGZZTDPVPZ-DTWKUNHWSA-N 0 0 170.252 1.475 10 0 ADAERN C/C=C/[C@H](O)CCCOC 221390742 571969507 /nfs/dbraw/zinc/96/95/07/571969507.db2.gz WKQZIVMDCOZYSU-WGAJWPLOSA-N 0 0 144.214 1.350 10 0 ADAERN CCO[C@@H](C(C)=O)c1cn(C)cn1 687693149 571969511 /nfs/dbraw/zinc/96/95/11/571969511.db2.gz REDHIKKWWBBTQQ-VIFPVBQESA-N 0 0 182.223 1.087 10 0 ADAERN COc1cc(OCC(C)C)nc(N)n1 234812451 571969517 /nfs/dbraw/zinc/96/95/17/571969517.db2.gz SOYZOLIVICEMFN-UHFFFAOYSA-N 0 0 197.238 1.102 10 0 ADAERN CCC(=O)[C@@H](OC)c1cncn1CC 687693047 571969529 /nfs/dbraw/zinc/96/95/29/571969529.db2.gz IVZBMJABYRKMTH-JTQLQIEISA-N 0 0 196.250 1.570 10 0 ADAERN CCC(=O)[C@H](OC)c1cncn1C 687693209 571969540 /nfs/dbraw/zinc/96/95/40/571969540.db2.gz WCQYFJNHNBGVRJ-SECBINFHSA-N 0 0 182.223 1.087 10 0 ADAERN CC1(C)Cc2ccccc2[C@H](O)[C@@H]1O 32171038 571969542 /nfs/dbraw/zinc/96/95/42/571969542.db2.gz BMTRGPKDGYQVCR-QWRGUYRKSA-N 0 0 192.258 1.663 10 0 ADAERN CCO[C@H](C(C)=O)c1cn(C)cn1 687693148 571969546 /nfs/dbraw/zinc/96/95/46/571969546.db2.gz REDHIKKWWBBTQQ-SECBINFHSA-N 0 0 182.223 1.087 10 0 ADAERN O[C@@H]1CC[C@H]2CCCC[C@@H]2O1 32176706 571969551 /nfs/dbraw/zinc/96/95/51/571969551.db2.gz CYWSQFHGSSPMOF-VGMNWLOBSA-N 0 0 156.225 1.674 10 0 ADAERN CC(C)[C@](C)([NH3+])c1occc1C(=O)[O-] 687692099 571969563 /nfs/dbraw/zinc/96/95/63/571969563.db2.gz BUZWBHKIYDSVJS-JTQLQIEISA-N 0 0 197.234 1.808 10 0 ADAERN CC(C)[C@]1(O)CC[C@@H](C)C[C@@H]1O 32175633 571969564 /nfs/dbraw/zinc/96/95/64/571969564.db2.gz OOJJEXXELQNXDL-KXUCPTDWSA-N 0 0 172.268 1.554 10 0 ADAERN CC(C)(C)C[C@H](C[NH+]1CCC1)C(=O)[O-] 687692678 571969577 /nfs/dbraw/zinc/96/95/77/571969577.db2.gz LVJHWNISHFSHJO-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CCO[C@@H](C(=O)CC)[C@@H]1CCCO1 687692364 571969591 /nfs/dbraw/zinc/96/95/91/571969591.db2.gz LFVHCIKSKPLKCU-UWVGGRQHSA-N 0 0 186.251 1.550 10 0 ADAERN CC[C@H](O)CCc1ccccn1 39345773 571970124 /nfs/dbraw/zinc/97/01/24/571970124.db2.gz QCOYTOZJOFZABI-JTQLQIEISA-N 0 0 165.236 1.785 10 0 ADAERN O=C1CCC(=S)S1 32168681 571969597 /nfs/dbraw/zinc/96/95/97/571969597.db2.gz ZDXXRHGWPSBARU-UHFFFAOYSA-N 0 0 132.209 1.367 10 0 ADAERN CCC(=O)[C@H](OC)c1cnn(CC)c1 687692599 571969621 /nfs/dbraw/zinc/96/96/21/571969621.db2.gz AIVNNABLQWPUCY-SNVBAGLBSA-N 0 0 196.250 1.570 10 0 ADAERN CCc1ncc(C)o1 32166509 571969628 /nfs/dbraw/zinc/96/96/28/571969628.db2.gz ADIDFXCLFPHHLE-UHFFFAOYSA-N 0 0 111.144 1.545 10 0 endogenous,in-man ADAERN OC[C@@H]1c2ccccc2CC[C@@H]1O 32157915 571969642 /nfs/dbraw/zinc/96/96/42/571969642.db2.gz CKBNOYPFZRKCNW-MNOVXSKESA-N 0 0 178.231 1.070 10 0 ADAERN CC[C@H]1SCCC1=O 32175845 571969652 /nfs/dbraw/zinc/96/96/52/571969652.db2.gz KNYBAJCQHFBMOP-ZCFIWIBFSA-N 0 0 130.212 1.471 10 0 endogenous,in-man ADAERN CC(C)[C@@](C)([NH3+])c1occc1C(=O)[O-] 687692100 571969657 /nfs/dbraw/zinc/96/96/57/571969657.db2.gz BUZWBHKIYDSVJS-SNVBAGLBSA-N 0 0 197.234 1.808 10 0 ADAERN [NH3+]C1(c2occc2C(=O)[O-])CCCC1 687692177 571969663 /nfs/dbraw/zinc/96/96/63/571969663.db2.gz KTZYEXZIAQOOAQ-UHFFFAOYSA-N 0 0 195.218 1.706 10 0 ADAERN CCC(=O)[C@H](OC)c1cn(C)cn1 687693020 571969670 /nfs/dbraw/zinc/96/96/70/571969670.db2.gz GYHOUJWYJMVXOG-SECBINFHSA-N 0 0 182.223 1.087 10 0 ADAERN O=C([O-])C[C@@H]1C[C@H]2CCCC[C@@H]2C[NH2+]1 32177370 571969672 /nfs/dbraw/zinc/96/96/72/571969672.db2.gz QCYAJZZBZNONCE-BBBLOLIVSA-N 0 0 197.278 1.629 10 0 ADAERN CCc1nn(C)cc1[C@H](OC)C(C)=O 687692478 571969677 /nfs/dbraw/zinc/96/96/77/571969677.db2.gz KBUBFDLJVZLTTK-SNVBAGLBSA-N 0 0 196.250 1.259 10 0 ADAERN O[C@H]1CCC[C@]1(O)c1ccccc1 32156076 571969678 /nfs/dbraw/zinc/96/96/78/571969678.db2.gz CWTWKJLRHPCTRR-QWRGUYRKSA-N 0 0 178.231 1.419 10 0 ADAERN CCCc1nc(C)co1 32166520 571969686 /nfs/dbraw/zinc/96/96/86/571969686.db2.gz BUOGNIOVIYHMFO-UHFFFAOYSA-N 0 0 125.171 1.936 10 0 endogenous,in-man ADAERN CCc1ccc(C)[nH]1 32162035 571969687 /nfs/dbraw/zinc/96/96/87/571969687.db2.gz GXSYXPDGMUORDR-UHFFFAOYSA-N 0 0 109.172 1.886 10 0 ADAERN CCO[C@@H](C(=O)CC)[C@H]1CCCO1 687692366 571969690 /nfs/dbraw/zinc/96/96/90/571969690.db2.gz LFVHCIKSKPLKCU-ZJUUUORDSA-N 0 0 186.251 1.550 10 0 ADAERN O=C([O-])[C@H](CC(F)(F)F)[NH+]1CCC1 687692653 571969692 /nfs/dbraw/zinc/96/96/92/571969692.db2.gz IGOLXQQLGFRGKW-YFKPBYRVSA-N 0 0 197.156 1.098 10 0 ADAERN CCC(=O)[C@@H](OC)c1cn(C)cn1 687693021 571969698 /nfs/dbraw/zinc/96/96/98/571969698.db2.gz GYHOUJWYJMVXOG-VIFPVBQESA-N 0 0 182.223 1.087 10 0 ADAERN C#C[C@@H](C)OC(=O)C=C(C)C 32178417 571969701 /nfs/dbraw/zinc/96/97/01/571969701.db2.gz NDRRMESRUFTJAX-MRVPVSSYSA-N 0 0 152.193 1.518 10 0 ADAERN CC(C)CC1OCCO1 32164297 571969705 /nfs/dbraw/zinc/96/97/05/571969705.db2.gz NLSSIIZCHYEPNV-UHFFFAOYSA-N 0 0 130.187 1.405 10 0 ADAERN Cc1nc2ccccc2n1O 32169146 571970129 /nfs/dbraw/zinc/97/01/29/571970129.db2.gz GRDMYOVEJRELOU-UHFFFAOYSA-N 0 0 148.165 1.582 10 0 ADAERN CC1=C[C@H](O)[C@H](C(C)(C)O)CC1 32165773 571969718 /nfs/dbraw/zinc/96/97/18/571969718.db2.gz MUTBSGZZTDPVPZ-BDAKNGLRSA-N 0 0 170.252 1.475 10 0 ADAERN CC(C)C(C)(C)C[N@H+](C)CC(=O)[O-] 713167326 571969719 /nfs/dbraw/zinc/96/97/19/571969719.db2.gz RKHAAFOEAHELQJ-UHFFFAOYSA-N 0 0 187.283 1.685 10 0 ADAERN CCc1c[nH]c(C)c1 32154622 571969728 /nfs/dbraw/zinc/96/97/28/571969728.db2.gz HWXJSNSZAOSLAS-UHFFFAOYSA-N 0 0 109.172 1.886 10 0 ADAERN CCO[C@H](C(=O)CC)[C@H]1CCCO1 687692363 571969737 /nfs/dbraw/zinc/96/97/37/571969737.db2.gz LFVHCIKSKPLKCU-NXEZZACHSA-N 0 0 186.251 1.550 10 0 ADAERN CC1(C)Cc2ccccc2[C@@H](O)[C@H]1O 32171042 571969738 /nfs/dbraw/zinc/96/97/38/571969738.db2.gz BMTRGPKDGYQVCR-GHMZBOCLSA-N 0 0 192.258 1.663 10 0 ADAERN C=Cc1scnc1CO 32166773 571969746 /nfs/dbraw/zinc/96/97/46/571969746.db2.gz UVTASNFUHZAQKK-UHFFFAOYSA-N 0 0 141.195 1.278 10 0 ADAERN Cc1ccc2c(c1C)COC2=O 32170153 571969750 /nfs/dbraw/zinc/96/97/50/571969750.db2.gz QUVPVBKPVBUNLS-UHFFFAOYSA-N 0 0 162.188 1.974 10 0 ADAERN CC(=O)Cc1cccc(O)c1C(C)=O 32171644 571969758 /nfs/dbraw/zinc/96/97/58/571969758.db2.gz LLZHJRBCDNVSKQ-UHFFFAOYSA-N 0 0 192.214 1.726 10 0 ADAERN CC(C)[C@]1(O)CC[C@@H](C)[C@@H](O)C1 32175619 571969760 /nfs/dbraw/zinc/96/97/60/571969760.db2.gz PEFMIOBQXUUMNG-UTLUCORTSA-N 0 0 172.268 1.554 10 0 ADAERN CC(C)n1cnc2c(c1=O)CCCC2 687816956 571969762 /nfs/dbraw/zinc/96/97/62/571969762.db2.gz NCYYTVWBKAFDEG-UHFFFAOYSA-N 0 0 192.262 1.703 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+]1CCC1 687692686 571969765 /nfs/dbraw/zinc/96/97/65/571969765.db2.gz NMMFUTHLUDTEEF-MRVPVSSYSA-N 0 0 171.240 1.336 10 0 ADAERN CCc1cnc(C)o1 32166516 571969769 /nfs/dbraw/zinc/96/97/69/571969769.db2.gz KVHQALCDTOJIBP-UHFFFAOYSA-N 0 0 111.144 1.545 10 0 endogenous,in-man ADAERN CCCc1cnc(C)o1 32166944 571969773 /nfs/dbraw/zinc/96/97/73/571969773.db2.gz DDDRMAQEYHTVNK-UHFFFAOYSA-N 0 0 125.171 1.936 10 0 endogenous,in-man ADAERN CCO[C@@]1(C(C)=O)CCCOC1 687692354 571969789 /nfs/dbraw/zinc/96/97/89/571969789.db2.gz HWGYGWGWAARKRM-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CCCn1cc([C@@H](OC)C(C)=O)cn1 687692539 571969792 /nfs/dbraw/zinc/96/97/92/571969792.db2.gz VEBMVOOKSXBAPW-JTQLQIEISA-N 0 0 196.250 1.570 10 0 ADAERN O[C@@H]1CCC[C@@]1(O)c1ccccc1 32156064 571969794 /nfs/dbraw/zinc/96/97/94/571969794.db2.gz CWTWKJLRHPCTRR-GHMZBOCLSA-N 0 0 178.231 1.419 10 0 ADAERN CCO[C@@H](C(C)=O)c1cncn1C 687693084 571970086 /nfs/dbraw/zinc/97/00/86/571970086.db2.gz LVIANZGJVUAOSP-VIFPVBQESA-N 0 0 182.223 1.087 10 0 ADAERN CCc1nn(C)cc1[C@@H](OC)C(C)=O 687692477 571969801 /nfs/dbraw/zinc/96/98/01/571969801.db2.gz KBUBFDLJVZLTTK-JTQLQIEISA-N 0 0 196.250 1.259 10 0 ADAERN CC(C)[C@@H](CC(=O)[O-])[NH+]1CCC1 687692807 571969804 /nfs/dbraw/zinc/96/98/04/571969804.db2.gz YRPWLHNKOXXAJL-MRVPVSSYSA-N 0 0 171.240 1.191 10 0 ADAERN CCCO[C@H](C(C)=O)c1cn(C)cn1 687693157 571969808 /nfs/dbraw/zinc/96/98/08/571969808.db2.gz RMWZXWOTYPPAJJ-SNVBAGLBSA-N 0 0 196.250 1.477 10 0 ADAERN COCc1ccc(OC)cc1O 32174120 571970088 /nfs/dbraw/zinc/97/00/88/571970088.db2.gz HNBVTSVBPNYGQN-UHFFFAOYSA-N 0 0 168.192 1.547 10 0 ADAERN CSc1ccc(=O)[nH]c1 32180766 571969823 /nfs/dbraw/zinc/96/98/23/571969823.db2.gz YOAPZPOMLXPJRG-UHFFFAOYSA-N 0 0 141.195 1.097 10 0 ADAERN C[C@H]1CCC(=O)S1 32175839 571969862 /nfs/dbraw/zinc/96/98/62/571969862.db2.gz BNHNVGAUODLKKT-BYPYZUCNSA-N 0 0 116.185 1.429 10 0 endogenous,in-man ADAERN C[C@]1(C(=O)[O-])CCC[C@H]1[NH+]1CCC1 687692608 571969878 /nfs/dbraw/zinc/96/98/78/571969878.db2.gz CEIYIOMKEDDZHH-SCZZXKLOSA-N 0 0 183.251 1.336 10 0 ADAERN O=C([O-])C[C@H]1C[C@H]2CCCC[C@@H]2C[NH2+]1 32177373 571969888 /nfs/dbraw/zinc/96/98/88/571969888.db2.gz QCYAJZZBZNONCE-OPRDCNLKSA-N 0 0 197.278 1.629 10 0 ADAERN CCO[C@H](C(C)=O)c1cncn1C 687693083 571969893 /nfs/dbraw/zinc/96/98/93/571969893.db2.gz LVIANZGJVUAOSP-SECBINFHSA-N 0 0 182.223 1.087 10 0 ADAERN COC(C)(C)CCCO 32162409 571969896 /nfs/dbraw/zinc/96/98/96/571969896.db2.gz BVLZIEGHZCFNSG-UHFFFAOYSA-N 0 0 132.203 1.184 10 0 ADAERN CC[C@@H](C)n1cnc2c(c1=O)CCC2 687817095 571969913 /nfs/dbraw/zinc/96/99/13/571969913.db2.gz QIMVWBNWMYWZCR-MRVPVSSYSA-N 0 0 192.262 1.703 10 0 ADAERN CCOP(=O)(N(C)C)N(C)C 32165537 571969915 /nfs/dbraw/zinc/96/99/15/571969915.db2.gz WOQVAMZDMJUHGB-UHFFFAOYSA-N 0 0 180.188 1.254 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[NH+]1CCC1 687692808 571970094 /nfs/dbraw/zinc/97/00/94/571970094.db2.gz YRPWLHNKOXXAJL-QMMMGPOBSA-N 0 0 171.240 1.191 10 0 ADAERN O=C(OCC1CC1)[C@@H]1CCCCCN1 80989714 571969921 /nfs/dbraw/zinc/96/99/21/571969921.db2.gz DHQAHTMOMASHMU-JTQLQIEISA-N 0 0 197.278 1.472 10 0 ADAERN CC(C)([NH3+])c1occc1C(=O)[O-] 687692331 571969940 /nfs/dbraw/zinc/96/99/40/571969940.db2.gz ZUXFSRCNWHSZTP-UHFFFAOYSA-N 0 0 169.180 1.172 10 0 ADAERN OC[C@@H]1c2ccccc2CC[C@H]1O 32157921 571969949 /nfs/dbraw/zinc/96/99/49/571969949.db2.gz CKBNOYPFZRKCNW-GHMZBOCLSA-N 0 0 178.231 1.070 10 0 ADAERN CCONCc1cccc(C)n1 80961052 571970098 /nfs/dbraw/zinc/97/00/98/571970098.db2.gz RSMZZODQZXHHAU-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN OC[C@H]1c2ccccc2CC[C@@H]1O 32157912 571970099 /nfs/dbraw/zinc/97/00/99/571970099.db2.gz CKBNOYPFZRKCNW-QWRGUYRKSA-N 0 0 178.231 1.070 10 0 ADAERN CCCO[C@@H]1CCCCO1 32155218 571969996 /nfs/dbraw/zinc/96/99/96/571969996.db2.gz FSQXTURTITWAAE-QMMMGPOBSA-N 0 0 144.214 1.940 10 0 ADAERN CCCn1cc([C@H](OC)C(C)=O)cn1 687692540 571970072 /nfs/dbraw/zinc/97/00/72/571970072.db2.gz VEBMVOOKSXBAPW-SNVBAGLBSA-N 0 0 196.250 1.570 10 0 ADAERN CSC[C@H](CO)SC 32161852 571970208 /nfs/dbraw/zinc/97/02/08/571970208.db2.gz NWIGMDHZYOQICC-YFKPBYRVSA-N 0 0 152.284 1.073 10 0 ADAERN CC(C)[C@H](C)CC(N)=O 78579318 571970190 /nfs/dbraw/zinc/97/01/90/571970190.db2.gz ZCIBWPMAYDXGDU-ZCFIWIBFSA-N 0 0 129.203 1.154 10 0 ADAERN CCOC(C)(C)C(=O)N(CC)C1CC1 687762520 571970227 /nfs/dbraw/zinc/97/02/27/571970227.db2.gz JRVQPJDLLXYCDA-UHFFFAOYSA-N 0 0 199.294 1.812 10 0 ADAERN CC(C)n1cnc2c(c1=O)CCC2 687817100 571970249 /nfs/dbraw/zinc/97/02/49/571970249.db2.gz WJRHLHNRGCGKSQ-UHFFFAOYSA-N 0 0 178.235 1.313 10 0 ADAERN O[C@H]1CC[C@@H]2CCCC[C@@H]2O1 32176703 571970251 /nfs/dbraw/zinc/97/02/51/571970251.db2.gz CYWSQFHGSSPMOF-XHNCKOQMSA-N 0 0 156.225 1.674 10 0 ADAERN COC(=O)[C@@H](C)NC[C@H](C)C(C)C 81055059 571970253 /nfs/dbraw/zinc/97/02/53/571970253.db2.gz UCUISHQMOWNSLE-DTWKUNHWSA-N 0 0 187.283 1.430 10 0 ADAERN CCCCOC(=O)[C@@H]1CCCCCN1 80989654 571970312 /nfs/dbraw/zinc/97/03/12/571970312.db2.gz PTEIIBDGXRZQKL-JTQLQIEISA-N 0 0 199.294 1.862 10 0 ADAERN CC[C@@H]1OC(=O)OC1(F)F 39088506 571970691 /nfs/dbraw/zinc/97/06/91/571970691.db2.gz KFYLFVJHIDSAGW-VKHMYHEASA-N 0 0 152.096 1.525 10 0 ADAERN CC(C)([NH3+])c1ccc(C(=O)[O-])o1 687693649 571970353 /nfs/dbraw/zinc/97/03/53/571970353.db2.gz WZAVCRAFTHAESJ-UHFFFAOYSA-N 0 0 169.180 1.172 10 0 ADAERN CO[C@H]1CC[C@@H](NCC(F)F)C1 234830136 571970368 /nfs/dbraw/zinc/97/03/68/571970368.db2.gz TYBRSXBOVSCECS-RQJHMYQMSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@H]1OCCC1(Cl)Cl 39088652 571970416 /nfs/dbraw/zinc/97/04/16/571970416.db2.gz MOAUAANYLSFEHR-SCSAIBSYSA-N 0 0 155.024 1.969 10 0 ADAERN CC(C)C(=O)CN(C)[C@H]1CCCOC1 401640721 571970425 /nfs/dbraw/zinc/97/04/25/571970425.db2.gz ZUCZSSBICYJTMS-JTQLQIEISA-N 0 0 199.294 1.322 10 0 ADAERN CC[C@H](C)OC(=O)[C@H]1CCCCCN1 80989701 571970431 /nfs/dbraw/zinc/97/04/31/571970431.db2.gz UJMFOUMNHXXACS-VHSXEESVSA-N 0 0 199.294 1.860 10 0 ADAERN CC[C@H](C)n1cnc(C)c(C)c1=O 687817014 571970434 /nfs/dbraw/zinc/97/04/34/571970434.db2.gz AZTPUQVBWRTNJA-ZETCQYMHSA-N 0 0 180.251 1.831 10 0 ADAERN O=C1CC[C@@H]2CCCC[C@@]23O[C@@H]13 32213734 571970692 /nfs/dbraw/zinc/97/06/92/571970692.db2.gz JVMSASFPATYJOI-UJNFCWOMSA-N 0 0 166.220 1.677 10 0 ADAERN CCC[C@@H](C)NN(C)C 32212042 571970677 /nfs/dbraw/zinc/97/06/77/571970677.db2.gz RQRHTWNEYRZHQK-SSDOTTSWSA-N 0 0 130.235 1.241 10 0 ADAERN CC[C@H](C)OC(=O)[C@@H]1CCCCCN1 80989699 571970545 /nfs/dbraw/zinc/97/05/45/571970545.db2.gz UJMFOUMNHXXACS-UWVGGRQHSA-N 0 0 199.294 1.860 10 0 ADAERN O=C1CC2(CC2)C1(Cl)Cl 32213317 571970566 /nfs/dbraw/zinc/97/05/66/571970566.db2.gz UTAIKOOLBXXLJQ-UHFFFAOYSA-N 0 0 165.019 1.913 10 0 ADAERN C[C@@]12CCC(=O)C[C@H]1C(=O)CC2 32205866 571970682 /nfs/dbraw/zinc/97/06/82/571970682.db2.gz ZGJZMIZMPDTDGJ-WPRPVWTQSA-N 0 0 166.220 1.725 10 0 ADAERN COC(=O)[C@H](C)NC[C@H](C)C(C)C 81055049 571970683 /nfs/dbraw/zinc/97/06/83/571970683.db2.gz UCUISHQMOWNSLE-IUCAKERBSA-N 0 0 187.283 1.430 10 0 ADAERN CC(=O)c1c(O)cc(O)c(C)c1C 32205230 571970601 /nfs/dbraw/zinc/97/06/01/571970601.db2.gz NIAHNSGOERWVCS-UHFFFAOYSA-N 0 0 180.203 1.917 10 0 ADAERN COc1ccc(OC)c2nccnc12 32220354 571970626 /nfs/dbraw/zinc/97/06/26/571970626.db2.gz RDERXHBRNGGJEC-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN O=c1c2c(ncn1C(F)F)CCC2 687816908 571970634 /nfs/dbraw/zinc/97/06/34/571970634.db2.gz HUGJNCDRXHOCLU-UHFFFAOYSA-N 0 0 186.161 1.127 10 0 ADAERN O[C@H]1[C@@H]2CCC[C@H]2[C@H]2CCC[C@H]2[C@H]1O 32214217 571970636 /nfs/dbraw/zinc/97/06/36/571970636.db2.gz YXMNKRWFTORMKC-OHUUWBQVSA-N 0 0 196.290 1.554 10 0 ADAERN O=C1CCCOc2ccccc2N1 32217322 571970648 /nfs/dbraw/zinc/97/06/48/571970648.db2.gz XFIMYRDMLWOVGV-UHFFFAOYSA-N 0 0 177.203 1.798 10 0 ADAERN C[C@@]12CCC(=O)C[C@@H]1C(=O)CC2 32205859 571970660 /nfs/dbraw/zinc/97/06/60/571970660.db2.gz ZGJZMIZMPDTDGJ-SCZZXKLOSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@H]1C(=O)C(C)(C)[C@@H]1C 32218180 571970662 /nfs/dbraw/zinc/97/06/62/571970662.db2.gz PVXWXVPUCQYBGD-NTSWFWBYSA-N 0 0 126.199 1.868 10 0 ADAERN Cc1noc(NCCCCCCO)n1 235804793 571970663 /nfs/dbraw/zinc/97/06/63/571970663.db2.gz HZSMHQNHRGNZPY-UHFFFAOYSA-N 0 0 199.254 1.343 10 0 ADAERN CC(C)[C@@H](C)[C@@H](C)CO 32218238 571971141 /nfs/dbraw/zinc/97/11/41/571971141.db2.gz PAZDSSMTPLLLIR-JGVFFNPUSA-N 0 0 130.231 1.907 10 0 ADAERN CCC[C@@H]1CCCO1 32218620 571971146 /nfs/dbraw/zinc/97/11/46/571971146.db2.gz DTGZORBDGLEVNY-SSDOTTSWSA-N 0 0 114.188 1.966 10 0 ADAERN CC(C)[C@@H](C)[C@H](C)CO 32218240 571970879 /nfs/dbraw/zinc/97/08/79/571970879.db2.gz PAZDSSMTPLLLIR-HTQZYQBOSA-N 0 0 130.231 1.907 10 0 ADAERN C[C@H]1CCC=C[C@H]1O 32218352 571970891 /nfs/dbraw/zinc/97/08/91/571970891.db2.gz IEALXHQYEVTYMO-NKWVEPMBSA-N 0 0 112.172 1.333 10 0 ADAERN C[NH2+]C[C@@H](C(=O)[O-])c1ccccc1C 219370428 571970910 /nfs/dbraw/zinc/97/09/10/571970910.db2.gz UIZAEGSIWBGGDY-SNVBAGLBSA-N 0 0 193.246 1.383 10 0 ADAERN CN(CCCO)c1ccc(F)cn1 300828802 571970921 /nfs/dbraw/zinc/97/09/21/571970921.db2.gz OFDQZTBLJBBSGQ-UHFFFAOYSA-N 0 0 184.214 1.039 10 0 ADAERN CC1(C)CCC=C[C@H]1O 32218276 571970934 /nfs/dbraw/zinc/97/09/34/571970934.db2.gz UHRILKRODDSOBA-SSDOTTSWSA-N 0 0 126.199 1.724 10 0 ADAERN O=C1CC[C@H]2CC=C[C@H]12 32213498 571971148 /nfs/dbraw/zinc/97/11/48/571971148.db2.gz HMMDXMOYKXSSQU-RQJHMYQMSA-N 0 0 122.167 1.542 10 0 ADAERN COC1(C[C@@H](O)C2=CCCO2)CCC1 234826025 571971150 /nfs/dbraw/zinc/97/11/50/571971150.db2.gz XOTKKIHRUQGSKC-SECBINFHSA-N 0 0 198.262 1.611 10 0 ADAERN CC(C)C(=O)CN(C)[C@@H]1CCCOC1 401640725 571970959 /nfs/dbraw/zinc/97/09/59/571970959.db2.gz ZUCZSSBICYJTMS-SNVBAGLBSA-N 0 0 199.294 1.322 10 0 ADAERN C[C@@H]1C(=O)[C@@H](C)C1(C)C 32218174 571971155 /nfs/dbraw/zinc/97/11/55/571971155.db2.gz WYQNVMYEKVWTBJ-PHDIDXHHSA-N 0 0 126.199 1.868 10 0 ADAERN C=Cn1ncc2ccccc2c1=O 32211060 571971031 /nfs/dbraw/zinc/97/10/31/571971031.db2.gz KRMCFFFURAMESC-UHFFFAOYSA-N 0 0 172.187 1.497 10 0 ADAERN CC(C)[C@@H](C)C[NH2+][C@H](C)C(=O)[O-] 81055764 571971161 /nfs/dbraw/zinc/97/11/61/571971161.db2.gz MLNRJYKQTXFPST-JGVFFNPUSA-N 0 0 173.256 1.341 10 0 ADAERN CC(C)n1ccc(NCCCO)n1 300829147 571971076 /nfs/dbraw/zinc/97/10/76/571971076.db2.gz HGULMEQCIMKOQS-UHFFFAOYSA-N 0 0 183.255 1.258 10 0 ADAERN CC(C)(O)[C@@H]1CCCC[C@@H]1O 32211256 571971083 /nfs/dbraw/zinc/97/10/83/571971083.db2.gz BLFZFLJLOQUSIO-SFYZADRCSA-N 0 0 158.241 1.308 10 0 ADAERN CC(C)[C@H](C)[C@H](C)CO 32218241 571971094 /nfs/dbraw/zinc/97/10/94/571971094.db2.gz PAZDSSMTPLLLIR-SFYZADRCSA-N 0 0 130.231 1.907 10 0 ADAERN C[C@@H](O)CC1SCCCS1 32220887 571971102 /nfs/dbraw/zinc/97/11/02/571971102.db2.gz LRUPVPPUGNZMRJ-ZCFIWIBFSA-N 0 0 178.322 1.954 10 0 ADAERN OCc1nscc1Br 32206219 571971117 /nfs/dbraw/zinc/97/11/17/571971117.db2.gz VOBABAKFOIEMHQ-UHFFFAOYSA-N 0 0 194.053 1.398 10 0 ADAERN CC(C)=C[C@H]1CCC1=O 32214073 571971126 /nfs/dbraw/zinc/97/11/26/571971126.db2.gz XDDUMYKLMJCQQH-SSDOTTSWSA-N 0 0 124.183 1.932 10 0 ADAERN CCCCCNN(C)C 32211374 571971133 /nfs/dbraw/zinc/97/11/33/571971133.db2.gz YZLOLIUOQJTNRM-UHFFFAOYSA-N 0 0 130.235 1.243 10 0 ADAERN CC(C)=C[C@@H]1CCC1=O 32214069 571971286 /nfs/dbraw/zinc/97/12/86/571971286.db2.gz XDDUMYKLMJCQQH-ZETCQYMHSA-N 0 0 124.183 1.932 10 0 ADAERN CC(C)(O)[C@@H]1CCCC[C@H]1O 32211262 571971289 /nfs/dbraw/zinc/97/12/89/571971289.db2.gz BLFZFLJLOQUSIO-HTQZYQBOSA-N 0 0 158.241 1.308 10 0 ADAERN Cc1cc(=O)c(C(C)C)cc(=O)[nH]1 32203765 571971303 /nfs/dbraw/zinc/97/13/03/571971303.db2.gz JBXMVZXHBBIACC-UHFFFAOYSA-N 0 0 179.219 1.167 10 0 ADAERN C[C@H]1C=C[C@H](O)CC1 32218200 571971334 /nfs/dbraw/zinc/97/13/34/571971334.db2.gz YOQLXQKRNWMILQ-BQBZGAKWSA-N 0 0 112.172 1.333 10 0 ADAERN CC[C@@H](C)n1cnc(C)c(C)c1=O 687817013 571971336 /nfs/dbraw/zinc/97/13/36/571971336.db2.gz AZTPUQVBWRTNJA-SSDOTTSWSA-N 0 0 180.251 1.831 10 0 ADAERN O=C([O-])/C=C\[N@@H+]1CCC[C@@H](CF)C1 711443889 571971342 /nfs/dbraw/zinc/97/13/42/571971342.db2.gz FOQVRQSQOAXJBT-NHLYECAPSA-N 0 0 187.214 1.266 10 0 ADAERN COc1cc(F)c(C=O)cc1O 32208663 571971358 /nfs/dbraw/zinc/97/13/58/571971358.db2.gz ZWCQCWGXEZSYBY-UHFFFAOYSA-N 0 0 170.139 1.352 10 0 ADAERN O=CN1[C@H]2CCC[C@@H]1CC2 32214585 571971418 /nfs/dbraw/zinc/97/14/18/571971418.db2.gz GSOGIYLLQDBXKB-OCAPTIKFSA-N 0 0 139.198 1.160 10 0 ADAERN CCCC(=O)NC(=O)OCC 32218956 571971436 /nfs/dbraw/zinc/97/14/36/571971436.db2.gz QZUFANFTLOMDNV-UHFFFAOYSA-N 0 0 159.185 1.059 10 0 ADAERN O=C1CC[C@@H]2Cc3ccoc3C[C@H]12 32220446 571971584 /nfs/dbraw/zinc/97/15/84/571971584.db2.gz HYXGFPHTHSLERC-APPZFPTMSA-N 0 0 176.215 1.974 10 0 ADAERN O=C1CNc2ccccc2S1 32204988 571971461 /nfs/dbraw/zinc/97/14/61/571971461.db2.gz FHSQHXGZAXPNBF-UHFFFAOYSA-N 0 0 165.217 1.731 10 0 ADAERN C[C@]12CCC(=O)C[C@H]1C(=O)CC2 32205870 571971470 /nfs/dbraw/zinc/97/14/70/571971470.db2.gz ZGJZMIZMPDTDGJ-WCBMZHEXSA-N 0 0 166.220 1.725 10 0 ADAERN CCC(=O)[C@H]1CCC(=O)[C@H]1C 32216488 571971480 /nfs/dbraw/zinc/97/14/80/571971480.db2.gz LCXHUOTYIHWXFV-BQBZGAKWSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H]1C=C[C@@H](O)CC1 32218202 571971484 /nfs/dbraw/zinc/97/14/84/571971484.db2.gz YOQLXQKRNWMILQ-NKWVEPMBSA-N 0 0 112.172 1.333 10 0 ADAERN CCC(=O)[C@@H]1CCC(=O)[C@@H]1C 32216480 571971488 /nfs/dbraw/zinc/97/14/88/571971488.db2.gz LCXHUOTYIHWXFV-RNFRBKRXSA-N 0 0 154.209 1.581 10 0 ADAERN COC(=O)CNC[C@@H](C)C(C)C 81055344 571971491 /nfs/dbraw/zinc/97/14/91/571971491.db2.gz QKQCUTFBEACJLY-MRVPVSSYSA-N 0 0 173.256 1.041 10 0 ADAERN CS(C)=Nc1nccnc1Cl 32213000 571971548 /nfs/dbraw/zinc/97/15/48/571971548.db2.gz CGBOBINVUITMEU-UHFFFAOYSA-N 0 0 189.671 1.823 10 0 ADAERN C[C@@H]1C(=O)[C@H](C)C1(C)C 32218175 571971560 /nfs/dbraw/zinc/97/15/60/571971560.db2.gz WYQNVMYEKVWTBJ-OLQVQODUSA-N 0 0 126.199 1.868 10 0 ADAERN Cc1ncn(C(C)C)c(=O)c1C 687817021 571971568 /nfs/dbraw/zinc/97/15/68/571971568.db2.gz RWJFZECRFABYLK-UHFFFAOYSA-N 0 0 166.224 1.441 10 0 ADAERN CC(C)c1nnc(-c2cnn(C)c2)[nH]1 41057219 571971666 /nfs/dbraw/zinc/97/16/66/571971666.db2.gz FSNDJTUEYVUJDB-UHFFFAOYSA-N 0 0 191.238 1.329 10 0 ADAERN C[C@H]1C(=O)[C@H](C)C1(C)C 32218176 571971667 /nfs/dbraw/zinc/97/16/67/571971667.db2.gz WYQNVMYEKVWTBJ-WDSKDSINSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@H]1[C@@H](C)C(=O)C1(C)C 32218181 571971686 /nfs/dbraw/zinc/97/16/86/571971686.db2.gz PVXWXVPUCQYBGD-RITPCOANSA-N 0 0 126.199 1.868 10 0 ADAERN CCC([NH3+])(CC)c1ccc(C(=O)[O-])o1 687693650 571971694 /nfs/dbraw/zinc/97/16/94/571971694.db2.gz XGXUAIUJKVCAMN-UHFFFAOYSA-N 0 0 197.234 1.952 10 0 ADAERN CCO[C@@H]1CCOCCC[C@H](C)O1 32215163 571971695 /nfs/dbraw/zinc/97/16/95/571971695.db2.gz TWSNNOFNKAOGEE-UWVGGRQHSA-N 0 0 188.267 1.955 10 0 ADAERN CN(C)P1OCC(C)(C)CO1 32217850 571971720 /nfs/dbraw/zinc/97/17/20/571971720.db2.gz TZXGTTCMQKPZKT-UHFFFAOYSA-N 0 0 177.184 1.848 10 0 ADAERN CCCOC(=O)C1CC1 32215666 571971728 /nfs/dbraw/zinc/97/17/28/571971728.db2.gz ISTGAWZGAGOYJK-UHFFFAOYSA-N 0 0 128.171 1.350 10 0 ADAERN C[C@@H]1CCC=C[C@@H]1O 32218349 571971735 /nfs/dbraw/zinc/97/17/35/571971735.db2.gz IEALXHQYEVTYMO-RQJHMYQMSA-N 0 0 112.172 1.333 10 0 ADAERN COC1(C[C@@H](O)C2CC2)CCC1 234826133 571971748 /nfs/dbraw/zinc/97/17/48/571971748.db2.gz QNAXGVQUYJKECC-SECBINFHSA-N 0 0 170.252 1.717 10 0 ADAERN O=C1CC[C@H]2Cc3ccoc3C[C@H]12 32220447 571971759 /nfs/dbraw/zinc/97/17/59/571971759.db2.gz HYXGFPHTHSLERC-CBAPKCEASA-N 0 0 176.215 1.974 10 0 ADAERN CC1(C)CC(=O)CC(C)(C)C1O 32219028 571971872 /nfs/dbraw/zinc/97/18/72/571971872.db2.gz SFWIZRXAIOWSGY-UHFFFAOYSA-N 0 0 170.252 1.763 10 0 ADAERN CC[C@H](O)CCCCCCO 80917780 571971769 /nfs/dbraw/zinc/97/17/69/571971769.db2.gz HGQPJWDYHDWFEH-VIFPVBQESA-N 0 0 160.257 1.700 10 0 ADAERN O=C1CC[C@@H]2CCC[C@H]1O2 32215083 571971781 /nfs/dbraw/zinc/97/17/81/571971781.db2.gz FGSALDZIFPWDJK-POYBYMJQSA-N 0 0 140.182 1.287 10 0 ADAERN CC(C)[C@H](C)C[NH2+][C@@H](C)C(=O)[O-] 81055758 571971809 /nfs/dbraw/zinc/97/18/09/571971809.db2.gz MLNRJYKQTXFPST-SFYZADRCSA-N 0 0 173.256 1.341 10 0 ADAERN COc1ccc(Cl)ccc1=O 32209279 571971814 /nfs/dbraw/zinc/97/18/14/571971814.db2.gz DZWLFJSHGQBDIT-UHFFFAOYSA-N 0 0 170.595 1.709 10 0 ADAERN CN(C)c1ccc(O)c(N=O)c1 32206169 571971817 /nfs/dbraw/zinc/97/18/17/571971817.db2.gz YMKYQCWUEBWQGS-UHFFFAOYSA-N 0 0 166.180 1.856 10 0 ADAERN CC1(C)COC(C)(C)[C@H]1O 32218683 571971877 /nfs/dbraw/zinc/97/18/77/571971877.db2.gz KDSBFNVBRXPAAZ-LURJTMIESA-N 0 0 144.214 1.182 10 0 ADAERN CC(C)(O)[C@H]1CCCC[C@H]1O 32211266 571971835 /nfs/dbraw/zinc/97/18/35/571971835.db2.gz BLFZFLJLOQUSIO-JGVFFNPUSA-N 0 0 158.241 1.308 10 0 ADAERN O=C1CC[C@@H]2CC=C[C@H]12 32213496 571971838 /nfs/dbraw/zinc/97/18/38/571971838.db2.gz HMMDXMOYKXSSQU-BQBZGAKWSA-N 0 0 122.167 1.542 10 0 ADAERN CC(C)[C@H](C)[C@@H](C)CO 32218239 571971845 /nfs/dbraw/zinc/97/18/45/571971845.db2.gz PAZDSSMTPLLLIR-YUMQZZPRSA-N 0 0 130.231 1.907 10 0 ADAERN Cc1[nH]c(C(F)(F)F)nc1F 32207854 571971895 /nfs/dbraw/zinc/97/18/95/571971895.db2.gz MPAWFNWNMCNMQR-UHFFFAOYSA-N 0 0 168.093 1.876 10 0 ADAERN CC(C)C[C@H](C)C[NH2+]C1(C(=O)[O-])CC1 300828988 571971904 /nfs/dbraw/zinc/97/19/04/571971904.db2.gz BWMNUMFRPVWKTR-VIFPVBQESA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)CCNN(C)C 32211508 571971910 /nfs/dbraw/zinc/97/19/10/571971910.db2.gz MRYYZGCCKQDBBT-UHFFFAOYSA-N 0 0 130.235 1.099 10 0 ADAERN C[C@@]12CC[C@@H](F)[C@@](C)(CO1)O2 39088838 571971989 /nfs/dbraw/zinc/97/19/89/571971989.db2.gz ARLRMCKUUXVSJE-BWZBUEFSSA-N 0 0 160.188 1.640 10 0 ADAERN Cc1ncn(COC(C)C)c(=O)c1C 687817015 571971996 /nfs/dbraw/zinc/97/19/96/571971996.db2.gz GZVOMYSAMSKDJG-UHFFFAOYSA-N 0 0 196.250 1.243 10 0 ADAERN CC(C)C(C)(C)Cn1cc(C[NH3+])nn1 713167467 571972006 /nfs/dbraw/zinc/97/20/06/571972006.db2.gz QKWDNOYUCBNWLQ-UHFFFAOYSA-N 0 0 196.298 1.419 10 0 ADAERN OCc1cc(O)cc(O)c1Cl 32220070 571972023 /nfs/dbraw/zinc/97/20/23/571972023.db2.gz APJBOEFQRAMLDU-UHFFFAOYSA-N 0 0 174.583 1.244 10 0 ADAERN CCC(=O)[C@H]1CCC(=O)[C@@H]1C 32216483 571972043 /nfs/dbraw/zinc/97/20/43/571972043.db2.gz LCXHUOTYIHWXFV-RQJHMYQMSA-N 0 0 154.209 1.581 10 0 ADAERN O[C@@H]1C[C@H]2[C@H]3C=C[C@H](C3)[C@H]21 32213546 571972048 /nfs/dbraw/zinc/97/20/48/571972048.db2.gz YFMCPIYUZPMGNA-KVEIKIFDSA-N 0 0 136.194 1.189 10 0 ADAERN COC(=O)[C@H](C)NC[C@@H](C)C(C)C 81055054 571972057 /nfs/dbraw/zinc/97/20/57/571972057.db2.gz UCUISHQMOWNSLE-BDAKNGLRSA-N 0 0 187.283 1.430 10 0 ADAERN O=C1CC[C@H]2CC=C[C@@H]12 32213502 571972058 /nfs/dbraw/zinc/97/20/58/571972058.db2.gz HMMDXMOYKXSSQU-RNFRBKRXSA-N 0 0 122.167 1.542 10 0 ADAERN CCC[C@H](C)NN(C)C 32212046 571972068 /nfs/dbraw/zinc/97/20/68/571972068.db2.gz RQRHTWNEYRZHQK-ZETCQYMHSA-N 0 0 130.235 1.241 10 0 ADAERN C[C@@]12CC[C@H](O)[C@@H]1C2 32218009 571972103 /nfs/dbraw/zinc/97/21/03/571972103.db2.gz BSWDRYYUQKQKFT-ACZMJKKPSA-N 0 0 112.172 1.167 10 0 ADAERN O=C1CC[C@@H]2CC=C[C@@H]12 32213500 571972119 /nfs/dbraw/zinc/97/21/19/571972119.db2.gz HMMDXMOYKXSSQU-NKWVEPMBSA-N 0 0 122.167 1.542 10 0 ADAERN CC(C)[C@H]1SC[C@H]2CON=C21 32210102 571972137 /nfs/dbraw/zinc/97/21/37/571972137.db2.gz CTDNOWFDQKVGLD-HTRCEHHLSA-N 0 0 171.265 1.760 10 0 ADAERN COC1(C[C@@H](NN)C2CC2)CCC1 234819821 571972138 /nfs/dbraw/zinc/97/21/38/571972138.db2.gz KXGHGJNQKCRUFH-SECBINFHSA-N 0 0 184.283 1.188 10 0 ADAERN COC(=O)c1ccc(C(C)(C)[NH3+])o1 687693486 571972162 /nfs/dbraw/zinc/97/21/62/571972162.db2.gz OXQGHVYGGAAAMR-UHFFFAOYSA-N 0 0 183.207 1.260 10 0 ADAERN O=C1CC[C@H]2CCC[C@@H]1O2 32215080 571972229 /nfs/dbraw/zinc/97/22/29/571972229.db2.gz FGSALDZIFPWDJK-SVRRBLITSA-N 0 0 140.182 1.287 10 0 ADAERN CC1=C(F)C(=O)OC(C)(C)O1 39088854 571972273 /nfs/dbraw/zinc/97/22/73/571972273.db2.gz CANIOFNSHIKRBE-UHFFFAOYSA-N 0 0 160.144 1.497 10 0 ADAERN COC(=O)CNC[C@H](C)C(C)C 81055337 571972280 /nfs/dbraw/zinc/97/22/80/571972280.db2.gz QKQCUTFBEACJLY-QMMMGPOBSA-N 0 0 173.256 1.041 10 0 ADAERN O=C1CC[C@H]2CCCC[C@@]23O[C@@H]13 32213737 571972555 /nfs/dbraw/zinc/97/25/55/571972555.db2.gz JVMSASFPATYJOI-FKTZTGRPSA-N 0 0 166.220 1.677 10 0 ADAERN CCCCOC(=O)[C@H]1CCCCCN1 80989655 571972317 /nfs/dbraw/zinc/97/23/17/571972317.db2.gz PTEIIBDGXRZQKL-SNVBAGLBSA-N 0 0 199.294 1.862 10 0 ADAERN CCC(=O)[C@@H]1CCC(=O)[C@H]1C 32216485 571972318 /nfs/dbraw/zinc/97/23/18/571972318.db2.gz LCXHUOTYIHWXFV-NKWVEPMBSA-N 0 0 154.209 1.581 10 0 ADAERN 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32223049 571974056 /nfs/dbraw/zinc/97/40/56/571974056.db2.gz JVXUCAOHOJQAMI-QWRGUYRKSA-N 0 0 187.242 1.605 10 0 ADAERN O[C@]1(c2ncc[nH]2)C[C@H]2CCCC[C@@H]21 196430217 571974068 /nfs/dbraw/zinc/97/40/68/571974068.db2.gz KIKAEIJBHSIXGR-WCABBAIRSA-N 0 0 192.262 1.807 10 0 ADAERN CCSCCCCCO 32223787 571974076 /nfs/dbraw/zinc/97/40/76/571974076.db2.gz FIXXJRDECLSOPJ-UHFFFAOYSA-N 0 0 148.271 1.902 10 0 ADAERN O=C1N[C@@]2(O)CC[C@H]3CCCC[C@@]13C2 32233223 571974088 /nfs/dbraw/zinc/97/40/88/571974088.db2.gz ZZRKQJMKEXCLLK-DVVUODLYSA-N 0 0 195.262 1.165 10 0 ADAERN CC(=O)[C@H]1CCC=C1C 32225597 571974101 /nfs/dbraw/zinc/97/41/01/571974101.db2.gz SEHHTJURFQTXSZ-QMMMGPOBSA-N 0 0 124.183 1.932 10 0 ADAERN O=C1CCc2nc3cccnc3n21 196424097 571974156 /nfs/dbraw/zinc/97/41/56/571974156.db2.gz NXKZDPYQLVIKFD-UHFFFAOYSA-N 0 0 173.175 1.018 10 0 ADAERN CON1CCN(c2ccccc2)C1=O 32232059 571974136 /nfs/dbraw/zinc/97/41/36/571974136.db2.gz MYNMDQQTJFGTQX-UHFFFAOYSA-N 0 0 192.218 1.490 10 0 ADAERN CC(C)[C@@H](C)C[NH2+]C[C@H](C)C(=O)[O-] 81057552 571974152 /nfs/dbraw/zinc/97/41/52/571974152.db2.gz UXXACHOBEVMGJM-IUCAKERBSA-N 0 0 187.283 1.589 10 0 ADAERN O[C@@H]1CC[C@H]2CCC[C@@H]1C2 32225868 571974158 /nfs/dbraw/zinc/97/41/58/571974158.db2.gz LPHKHFHEUORJNL-IWSPIJDZSA-N 0 0 140.226 1.948 10 0 ADAERN OC1C[C@@H]2CC=CC[C@H]2C1 32225260 571974630 /nfs/dbraw/zinc/97/46/30/571974630.db2.gz AAJUHQWUJQXIIP-YUMQZZPRSA-N 0 0 138.210 1.724 10 0 ADAERN C[C@]12CCC(=O)C[C@@H]1CC[C@@H]2O 32226026 571974703 /nfs/dbraw/zinc/97/47/03/571974703.db2.gz HXMXWCYZIQGGHN-HGNGGELXSA-N 0 0 168.236 1.517 10 0 ADAERN C[NH2+][C@H](CC1CCOCC1)C(F)F 234478288 571974345 /nfs/dbraw/zinc/97/43/45/571974345.db2.gz HKVNJLHHTOWBRX-MRVPVSSYSA-N 0 0 193.237 1.656 10 0 ADAERN O[C@@H]1CC[C@@H]2CC=C[C@@H]12 32225408 571974346 /nfs/dbraw/zinc/97/43/46/571974346.db2.gz LPILXVRHOMAVFE-XLPZGREQSA-N 0 0 124.183 1.333 10 0 ADAERN COc1cccc(O)c1[C@@H](C)O 139782066 571974377 /nfs/dbraw/zinc/97/43/77/571974377.db2.gz ABJUVGBAQJOYBE-ZCFIWIBFSA-N 0 0 168.192 1.454 10 0 ADAERN CC1Cn2c(nc3ccccc32)N=N1 32222880 571974390 /nfs/dbraw/zinc/97/43/90/571974390.db2.gz WGXVKVMTCDXDGH-UHFFFAOYSA-N 0 0 186.218 1.838 10 0 ADAERN CN1C(=O)CC=C[C@@H]1c1ccc[nH]1 196425591 571974391 /nfs/dbraw/zinc/97/43/91/571974391.db2.gz ZWLTVCPJAWZZRY-SECBINFHSA-N 0 0 176.219 1.474 10 0 ADAERN CC1(C)C=CCC[C@H]1O 32226631 571974440 /nfs/dbraw/zinc/97/44/40/571974440.db2.gz NZLMKBPJMVGJHB-SSDOTTSWSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H](CF)C[C@H]1CNC(=O)C1 139817586 571974710 /nfs/dbraw/zinc/97/47/10/571974710.db2.gz FRLFGIMLAMNVGP-NKWVEPMBSA-N 0 0 159.204 1.118 10 0 ADAERN O=C1C[C@H]2c3ccccc3CC[C@H]2N1 32223047 571974468 /nfs/dbraw/zinc/97/44/68/571974468.db2.gz JVXUCAOHOJQAMI-WDEREUQCSA-N 0 0 187.242 1.605 10 0 ADAERN O=C1C[C@@H]2c3ccccc3CC[C@@H]2N1 32223050 571974474 /nfs/dbraw/zinc/97/44/74/571974474.db2.gz JVXUCAOHOJQAMI-MNOVXSKESA-N 0 0 187.242 1.605 10 0 ADAERN CCC[C@H]1C[C@H]1C(=O)OCCF 393338548 571974477 /nfs/dbraw/zinc/97/44/77/571974477.db2.gz PDJJHRBJRJBKMQ-JGVFFNPUSA-N 0 0 174.215 1.935 10 0 ADAERN O=C1CC2(CC2)CC12CC2 32224908 571974484 /nfs/dbraw/zinc/97/44/84/571974484.db2.gz XJCBCZUMXAAIRC-UHFFFAOYSA-N 0 0 136.194 1.910 10 0 ADAERN CC(=O)[C@@]1(C)C=CCC1 32225775 571974493 /nfs/dbraw/zinc/97/44/93/571974493.db2.gz DIZVAYGKXSYCSO-QMMMGPOBSA-N 0 0 124.183 1.932 10 0 ADAERN Nc1onc2c1ccc1ncccc12 32222717 571974499 /nfs/dbraw/zinc/97/44/99/571974499.db2.gz JHLFUPAERNDYPD-UHFFFAOYSA-N 0 0 185.186 1.958 10 0 ADAERN C[C@H](O)C(=O)[C@H]1C[C@H]2C=C[C@]1(C)C2 32225377 571974522 /nfs/dbraw/zinc/97/45/22/571974522.db2.gz JZLVKQYECSPENL-YSSBGUOXSA-N 0 0 180.247 1.539 10 0 ADAERN COc1cc(C(C)(C)O)c(O)cc1C 32220962 571974527 /nfs/dbraw/zinc/97/45/27/571974527.db2.gz UTZWQVZGTUYTIX-UHFFFAOYSA-N 0 0 196.246 1.937 10 0 ADAERN Cn1ccc2cc(=O)ccc-2c1 139738283 571974535 /nfs/dbraw/zinc/97/45/35/571974535.db2.gz PCMZOBJZBLCMBV-UHFFFAOYSA-N 0 0 159.188 1.490 10 0 ADAERN Cc1ccc([C@H]2CC(C[NH3+])=NN2)cc1 41141614 571974711 /nfs/dbraw/zinc/97/47/11/571974711.db2.gz IZTNYVYWQQSKBN-LLVKDONJSA-N 0 0 189.262 1.344 10 0 ADAERN CC(=O)O[C@@H]1CCCCCC1=O 32226189 571974555 /nfs/dbraw/zinc/97/45/55/571974555.db2.gz RFXWFERXMBIZEI-SECBINFHSA-N 0 0 170.208 1.451 10 0 ADAERN c1cnc2c(c1)Cc1cccn1-2 196421453 571974563 /nfs/dbraw/zinc/97/45/63/571974563.db2.gz UKWKLHLTASXIOL-UHFFFAOYSA-N 0 0 156.188 1.777 10 0 ADAERN C[C@@H](CF)C[C@H]1CNC(=O)C1 139817860 571974590 /nfs/dbraw/zinc/97/45/90/571974590.db2.gz FRLFGIMLAMNVGP-RNFRBKRXSA-N 0 0 159.204 1.118 10 0 ADAERN CC[C@H]1CCC[C@H]1CO 32225683 571974591 /nfs/dbraw/zinc/97/45/91/571974591.db2.gz RMUDBYVEBKXLKI-YUMQZZPRSA-N 0 0 128.215 1.805 10 0 ADAERN COc1cc(O)c(C=O)c(C)c1C 32221254 571974596 /nfs/dbraw/zinc/97/45/96/571974596.db2.gz PJDMXZRKXHMLSZ-UHFFFAOYSA-N 0 0 180.203 1.830 10 0 ADAERN CN[C@H](CC[C@H]1CCCO1)C(F)F 234477427 571974599 /nfs/dbraw/zinc/97/45/99/571974599.db2.gz RCRWCTCIFIUYNH-HTQZYQBOSA-N 0 0 193.237 1.799 10 0 ADAERN CS[C@@H]1CCCCO1 32229656 571974713 /nfs/dbraw/zinc/97/47/13/571974713.db2.gz AGVXVNUUQRAKNA-ZCFIWIBFSA-N 0 0 132.228 1.876 10 0 ADAERN c1ccc2c(c1)CCC1(C2)OCCO1 32224054 571974609 /nfs/dbraw/zinc/97/46/09/571974609.db2.gz APOHLXPINSCOCV-UHFFFAOYSA-N 0 0 190.242 1.918 10 0 ADAERN CC[C@@H]1CCC[C@@H]1CO 32225680 571974619 /nfs/dbraw/zinc/97/46/19/571974619.db2.gz RMUDBYVEBKXLKI-HTQZYQBOSA-N 0 0 128.215 1.805 10 0 ADAERN Cn1ccc(=S)[nH]c1=S 139755691 571974627 /nfs/dbraw/zinc/97/46/27/571974627.db2.gz BCFZTQWXIRAAFQ-UHFFFAOYSA-N 0 0 158.251 1.812 10 0 ADAERN O=C1CC[C@H]2C=C[C@@H](C1)O2 32226233 571974657 /nfs/dbraw/zinc/97/46/57/571974657.db2.gz AFERPYBDZJCNLI-YUMQZZPRSA-N 0 0 138.166 1.063 10 0 ADAERN C[C@@H]1OC(=O)N[C@@H]2CCCC[C@@H]12 32226542 571974663 /nfs/dbraw/zinc/97/46/63/571974663.db2.gz TXSRQABALFDCOD-BIIVOSGPSA-N 0 0 169.224 1.674 10 0 ADAERN C[C@@]12CCC(=O)C[C@@H]1CC[C@@H]2O 32226024 571974678 /nfs/dbraw/zinc/97/46/78/571974678.db2.gz HXMXWCYZIQGGHN-UJNFCWOMSA-N 0 0 168.236 1.517 10 0 ADAERN C[C@H]1CCC=C1CO 32225555 571974683 /nfs/dbraw/zinc/97/46/83/571974683.db2.gz HDJDVSIQEWXHND-LURJTMIESA-N 0 0 112.172 1.335 10 0 ADAERN CC1(C)[C@]2(C)CC[C@@]1(O)CC2=O 32227422 571974698 /nfs/dbraw/zinc/97/46/98/571974698.db2.gz LPXAUISIPHHSCA-NXEZZACHSA-N 0 0 168.236 1.517 10 0 ADAERN CCCCC1=C[C@H]2C(=O)NC(=O)[C@H]12 139842686 571974850 /nfs/dbraw/zinc/97/48/50/571974850.db2.gz GOVBMLSPHQRVLH-HTQZYQBOSA-N 0 0 179.219 1.005 10 0 ADAERN Nc1cc2cc(Cl)ccc2nn1 139734816 571974751 /nfs/dbraw/zinc/97/47/51/571974751.db2.gz QFLOQNXVGYPQLL-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN C[C@@H]1CCC=C1CO 32225554 571974763 /nfs/dbraw/zinc/97/47/63/571974763.db2.gz HDJDVSIQEWXHND-ZCFIWIBFSA-N 0 0 112.172 1.335 10 0 ADAERN O[C@H]1CCC[C@H]1[C@@H]1CCC[C@H]1O 32228708 571974764 /nfs/dbraw/zinc/97/47/64/571974764.db2.gz BNWPRNDOSDOWAK-AATLWQCWSA-N 0 0 170.252 1.308 10 0 ADAERN CC[C@@H]1CCC[C@H]1CO 32225682 571974767 /nfs/dbraw/zinc/97/47/67/571974767.db2.gz RMUDBYVEBKXLKI-SFYZADRCSA-N 0 0 128.215 1.805 10 0 ADAERN Cc1[nH]c(C2CC2)nc1C=O 139734659 571974801 /nfs/dbraw/zinc/97/48/01/571974801.db2.gz ISLNQPHBYDSEPM-UHFFFAOYSA-N 0 0 150.181 1.408 10 0 ADAERN CC(C)c1cc(N)nnc1Cl 139764607 571974811 /nfs/dbraw/zinc/97/48/11/571974811.db2.gz FAYFZSXZSOWNFP-UHFFFAOYSA-N 0 0 171.631 1.836 10 0 ADAERN CCC[C@@H]1CSC(=S)N1 139735423 571974831 /nfs/dbraw/zinc/97/48/31/571974831.db2.gz LPARBJRXUZJSIZ-RXMQYKEDSA-N 0 0 161.295 1.776 10 0 ADAERN COc1cccc(O)c1[C@H](C)O 139781925 571974864 /nfs/dbraw/zinc/97/48/64/571974864.db2.gz ABJUVGBAQJOYBE-LURJTMIESA-N 0 0 168.192 1.454 10 0 ADAERN CCNc1cc[nH]c(=S)n1 139755845 571974909 /nfs/dbraw/zinc/97/49/09/571974909.db2.gz USRSRJYWYYKJAY-UHFFFAOYSA-N 0 0 155.226 1.571 10 0 ADAERN O[C@]1(c2ncc[nH]2)C[C@@H]2CCCC[C@@H]21 196430241 571974911 /nfs/dbraw/zinc/97/49/11/571974911.db2.gz KIKAEIJBHSIXGR-ATZCPNFKSA-N 0 0 192.262 1.807 10 0 ADAERN O[C@@H]1c2cccnc2-n2cccc21 196421433 571974915 /nfs/dbraw/zinc/97/49/15/571974915.db2.gz KMCISMYEGORXLA-SECBINFHSA-N 0 0 172.187 1.267 10 0 ADAERN CN1N=C(C[NH3+])C[C@H]1c1ccccc1 41140834 571975231 /nfs/dbraw/zinc/97/52/31/571975231.db2.gz ANYLWJVCWLRILN-NSHDSACASA-N 0 0 189.262 1.378 10 0 ADAERN CC(C)Cc1cc(N)nnc1Cl 139764029 571974995 /nfs/dbraw/zinc/97/49/95/571974995.db2.gz MMFLNCDAGDDUQA-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN CN1N=C(C[NH3+])C[C@@H]1c1ccccc1 41140836 571975034 /nfs/dbraw/zinc/97/50/34/571975034.db2.gz ANYLWJVCWLRILN-LLVKDONJSA-N 0 0 189.262 1.378 10 0 ADAERN CNC(=O)Cc1cccc2ccoc12 139843434 571975050 /nfs/dbraw/zinc/97/50/50/571975050.db2.gz QKXDHSTTXJBNRN-UHFFFAOYSA-N 0 0 189.214 1.721 10 0 ADAERN CC[S@](=O)c1ccccc1[O-] 32249945 571975102 /nfs/dbraw/zinc/97/51/02/571975102.db2.gz ILGRDXRBPFWJAW-LLVKDONJSA-N 0 0 170.233 1.520 10 0 ADAERN Cc1coc2cccc(=O)c-2c1O 139843862 571975103 /nfs/dbraw/zinc/97/51/03/571975103.db2.gz VYYRFRCQKOONOH-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN CC[NH2+]CC(=O)NC[C@H](C)C(C)C 81060005 571975109 /nfs/dbraw/zinc/97/51/09/571975109.db2.gz FSKDZNGUOQAWPB-VIFPVBQESA-N 0 0 186.299 1.004 10 0 ADAERN CN1N=C(C[NH3+])C[C@@H]1c1cccs1 41143958 571975126 /nfs/dbraw/zinc/97/51/26/571975126.db2.gz MQHAXGXKGCBCKD-MRVPVSSYSA-N 0 0 195.291 1.439 10 0 ADAERN c1cc2c(cn1)cnc1ccnn12 32298317 571975142 /nfs/dbraw/zinc/97/51/42/571975142.db2.gz YDOZFYLLIDTNHV-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN C[C@@H](O)C(C)(C)c1ccccn1 32302807 571975185 /nfs/dbraw/zinc/97/51/85/571975185.db2.gz RTKMGVBJFNBIBX-MRVPVSSYSA-N 0 0 165.236 1.740 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cn(C)cn1 233989413 571975212 /nfs/dbraw/zinc/97/52/12/571975212.db2.gz JVGIWGHQUJHKLR-VXNVDRBHSA-N 0 0 168.240 1.500 10 0 ADAERN CC1=Nc2c(C)ncnc2NC1 139765728 571975227 /nfs/dbraw/zinc/97/52/27/571975227.db2.gz PLILKFWTAUQFAD-UHFFFAOYSA-N 0 0 162.196 1.303 10 0 ADAERN C[C@H](CO)Sc1ccccc1N 139795199 571975942 /nfs/dbraw/zinc/97/59/42/571975942.db2.gz BFIVCYZGAJHWKO-SSDOTTSWSA-N 0 0 183.276 1.742 10 0 ADAERN C[C@H]1C[NH2+][C@H](c2ccccc2)CC1=O 32252092 571975658 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32251321 571975446 /nfs/dbraw/zinc/97/54/46/571975446.db2.gz QRFABGPLCPEGKF-NSHDSACASA-N 0 0 177.247 1.788 10 0 ADAERN C[C@H](O)C(=O)CCC[C@@H]1CCCO1 235541308 571975480 /nfs/dbraw/zinc/97/54/80/571975480.db2.gz OIBPNEPVFSKFEB-DTWKUNHWSA-N 0 0 186.251 1.286 10 0 ADAERN CC[C@@]1(O)CCC[C@@H](OC)C1 233992595 571975493 /nfs/dbraw/zinc/97/54/93/571975493.db2.gz TUEFFQUTRNSQNH-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN COC(=O)c1cc(C)cc2c1OCO2 196430092 571975506 /nfs/dbraw/zinc/97/55/06/571975506.db2.gz NKBGCSWCIQIGIU-UHFFFAOYSA-N 0 0 194.186 1.510 10 0 ADAERN O=C1CCC2CC1(Cl)C2 32302961 571975526 /nfs/dbraw/zinc/97/55/26/571975526.db2.gz OJZFGJLBYJSZDG-UHFFFAOYSA-N 0 0 144.601 1.737 10 0 ADAERN CC[C@@H]1CC=CC(=O)O1 32302778 571975530 /nfs/dbraw/zinc/97/55/30/571975530.db2.gz PBTYTLMBTXXZJF-ZCFIWIBFSA-N 0 0 126.155 1.268 10 0 ADAERN O[C@H]1c2cccnc2-n2cccc21 196421441 571975532 /nfs/dbraw/zinc/97/55/32/571975532.db2.gz KMCISMYEGORXLA-VIFPVBQESA-N 0 0 172.187 1.267 10 0 ADAERN 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HJNSOWAKDBKVJO-LURJTMIESA-N 0 0 199.250 1.879 10 0 ADAERN CN1C[C@@H](c2ccccc2F)OC1=O 41206927 571982171 /nfs/dbraw/zinc/98/21/71/571982171.db2.gz XLZPPBYDHAIRFY-VIFPVBQESA-N 0 0 195.193 1.949 10 0 ADAERN CCO[C@@H](C)[C@@H](C)OCC 13380235 571982173 /nfs/dbraw/zinc/98/21/73/571982173.db2.gz FAGPREATDHKZHC-OCAPTIKFSA-N 0 0 146.230 1.836 10 0 ADAERN COCCCNc1cc(C)n(C)n1 300839211 571982184 /nfs/dbraw/zinc/98/21/84/571982184.db2.gz DXYIHJSIUICCAW-UHFFFAOYSA-N 0 0 183.255 1.177 10 0 ADAERN CCCNc1ccnc2nccn12 196432274 571982190 /nfs/dbraw/zinc/98/21/90/571982190.db2.gz YAZVGMAESJFKKN-UHFFFAOYSA-N 0 0 176.223 1.551 10 0 ADAERN Cc1ccc(NC(=O)CCCO)cc1 41206203 571982202 /nfs/dbraw/zinc/98/22/02/571982202.db2.gz PXYLPVZFIIKRHI-UHFFFAOYSA-N 0 0 193.246 1.706 10 0 ADAERN CCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1O 13380478 571982203 /nfs/dbraw/zinc/98/22/03/571982203.db2.gz LLALEXXCKCFLES-BIIVOSGPSA-N 0 0 172.224 1.099 10 0 ADAERN CC1(C)Oc2ccc(O)cc2C[C@H]1O 13459390 571982215 /nfs/dbraw/zinc/98/22/15/571982215.db2.gz KGTUQYJWMOYGOR-SNVBAGLBSA-N 0 0 194.230 1.467 10 0 ADAERN CO[C@H](C)[C@@H](C)OC 13380229 571982230 /nfs/dbraw/zinc/98/22/30/571982230.db2.gz RLPGNHILYGVQDE-PHDIDXHHSA-N 0 0 118.176 1.056 10 0 ADAERN COc1ccccc1CC(=O)[C@H](C)O 234874288 571982239 /nfs/dbraw/zinc/98/22/39/571982239.db2.gz HCUVMWDQQXWTRJ-QMMMGPOBSA-N 0 0 194.230 1.188 10 0 ADAERN COc1ccc([C@@H](O)CC(C)C)nn1 234879898 571982243 /nfs/dbraw/zinc/98/22/43/571982243.db2.gz WUVZXCWXAPFCGF-VIFPVBQESA-N 0 0 196.250 1.565 10 0 ADAERN C[C@H](O)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 13379136 571982260 /nfs/dbraw/zinc/98/22/60/571982260.db2.gz AMFJBCFUEJFUFK-JBDRJPRFSA-N 0 0 172.224 1.051 10 0 ADAERN C/C=C/C=C/[C@@H](O)[C@H]1CCC(=O)O1 13461014 571982263 /nfs/dbraw/zinc/98/22/63/571982263.db2.gz TUUOKFDGTUYGAJ-PTZKRIBWSA-N 0 0 182.219 1.185 10 0 ADAERN C[C@@H]1CC[C@@](O)(C2CC2)C[C@@H]1O 13429396 571982299 /nfs/dbraw/zinc/98/22/99/571982299.db2.gz NTSNDVXMQVLQPO-JEZHCXPESA-N 0 0 170.252 1.308 10 0 endogenous,in-man ADAERN COC[C@H](Cn1c(C)ccc1C)OC 234873200 571982312 /nfs/dbraw/zinc/98/23/12/571982312.db2.gz UIWHRHJWSQDWBP-NSHDSACASA-N 0 0 197.278 1.766 10 0 ADAERN C[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 13459743 571982347 /nfs/dbraw/zinc/98/23/47/571982347.db2.gz AIJQFRIMFUSUEZ-YFKPBYRVSA-N 0 0 194.186 1.258 10 0 ADAERN O=C1CC[C@H](OC2CC2)C1 713169771 571982353 /nfs/dbraw/zinc/98/23/53/571982353.db2.gz FQLMSDWROIOUML-QMMMGPOBSA-N 0 0 140.182 1.287 10 0 ADAERN Cc1cc(=S)sc(=O)[nH]1 196433157 571982393 /nfs/dbraw/zinc/98/23/93/571982393.db2.gz YUGIHNAYVCMXIZ-UHFFFAOYSA-N 0 0 159.235 1.474 10 0 ADAERN Cc1ccc(C)n1NC[C@@H](O)C(C)C 300842067 571982334 /nfs/dbraw/zinc/98/23/34/571982334.db2.gz FLTDFDZEZAPJCB-LLVKDONJSA-N 0 0 196.294 1.665 10 0 ADAERN O=c1[nH]c2c(c(=S)s1)CCC2 196433188 571982410 /nfs/dbraw/zinc/98/24/10/571982410.db2.gz JKIVMZRCPZKWMJ-UHFFFAOYSA-N 0 0 185.273 1.655 10 0 ADAERN CN1C[C@H](c2ccc(F)cc2)OC1=O 41206928 571982454 /nfs/dbraw/zinc/98/24/54/571982454.db2.gz WURFUGHDZRISSM-SECBINFHSA-N 0 0 195.193 1.949 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cn(C)cn1 233995372 571982463 /nfs/dbraw/zinc/98/24/63/571982463.db2.gz JVGIWGHQUJHKLR-IONNQARKSA-N 0 0 168.240 1.500 10 0 ADAERN CCC(=O)c1cnc(Cl)cn1 196432773 571982661 /nfs/dbraw/zinc/98/26/61/571982661.db2.gz UWKXADGYVAREOT-UHFFFAOYSA-N 0 0 170.599 1.723 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(CO)[C@H](O)C2 13378698 571983141 /nfs/dbraw/zinc/98/31/41/571983141.db2.gz ULSDZTSFFJKLTM-NQMVMOMDSA-N 0 0 170.252 1.166 10 0 ADAERN CCO[C@@H](C)[C@H](C)OCC 13380234 571982712 /nfs/dbraw/zinc/98/27/12/571982712.db2.gz FAGPREATDHKZHC-YUMQZZPRSA-N 0 0 146.230 1.836 10 0 ADAERN C[C@@H]1CC[C@](O)(C2CC2)C[C@@H]1O 13429392 571982739 /nfs/dbraw/zinc/98/27/39/571982739.db2.gz NTSNDVXMQVLQPO-FKTZTGRPSA-N 0 0 170.252 1.308 10 0 endogenous,in-man ADAERN CC(=O)N[C@H](C)c1ccc(C)nc1 13378665 571982788 /nfs/dbraw/zinc/98/27/88/571982788.db2.gz YVZIWTQAOFUJIO-MRVPVSSYSA-N 0 0 178.235 1.587 10 0 ADAERN C[C@H]1Cc2cccc(O)c2OC1=O 13461586 571982812 /nfs/dbraw/zinc/98/28/12/571982812.db2.gz LPBZZSYMXRGFBZ-LURJTMIESA-N 0 0 178.187 1.490 10 0 ADAERN CC(=O)c1ccc(C(C)=O)c(O)c1 13437424 571982825 /nfs/dbraw/zinc/98/28/25/571982825.db2.gz CHSUVWIYVDZSCJ-UHFFFAOYSA-N 0 0 178.187 1.797 10 0 ADAERN Cc1cccc(C[C@](C)([NH3+])C(=O)[O-])c1 41206199 571982873 /nfs/dbraw/zinc/98/28/73/571982873.db2.gz NOYQOQVOBSHWEY-NSHDSACASA-N 0 0 193.246 1.340 10 0 ADAERN CC[C@@H](CO)C(=O)C(C)C 34539905 571982918 /nfs/dbraw/zinc/98/29/18/571982918.db2.gz HHZUZTJVBFEUFU-ZETCQYMHSA-N 0 0 144.214 1.230 10 0 ADAERN C/C=C/C=C/[C@H](O)[C@H]1CCC(=O)O1 13461012 571982934 /nfs/dbraw/zinc/98/29/34/571982934.db2.gz TUUOKFDGTUYGAJ-KUOFLZLOSA-N 0 0 182.219 1.185 10 0 ADAERN C[C@H]1C[C@H](O)c2c(O)cccc2C1=O 13459878 571982948 /nfs/dbraw/zinc/98/29/48/571982948.db2.gz VTKLUUKPBDWFKD-RCOVLWMOSA-N 0 0 192.214 1.648 10 0 ADAERN CN1C[C@@H](c2ccc(F)cc2)OC1=O 41206929 571982949 /nfs/dbraw/zinc/98/29/49/571982949.db2.gz WURFUGHDZRISSM-VIFPVBQESA-N 0 0 195.193 1.949 10 0 ADAERN CCCSO 13396777 571982956 /nfs/dbraw/zinc/98/29/56/571982956.db2.gz LYNBNVDYPNEWHG-UHFFFAOYSA-N 0 0 92.163 1.603 10 0 endogenous,in-man ADAERN CC(C)=CCC[C@@]1(C)OC(=O)C[C@@H]1O 13461924 571982959 /nfs/dbraw/zinc/98/29/59/571982959.db2.gz JMWBTPQEGMTXKP-GXSJLCMTSA-N 0 0 198.262 1.799 10 0 ADAERN COCCCC[C@@]1(O)CCSC1 686322798 571982961 /nfs/dbraw/zinc/98/29/61/571982961.db2.gz BZFZQVAHOIAOQR-SECBINFHSA-N 0 0 190.308 1.671 10 0 ADAERN O[C@H](Cn1ccnc1)c1cccs1 41206698 571982962 /nfs/dbraw/zinc/98/29/62/571982962.db2.gz CHNKAIFIYAFIJC-MRVPVSSYSA-N 0 0 194.259 1.678 10 0 ADAERN CCCC[C@H](C)c1n[nH]c(=O)o1 300844636 571983034 /nfs/dbraw/zinc/98/30/34/571983034.db2.gz AGLFNSKVLFHPCF-LURJTMIESA-N 0 0 170.212 1.657 10 0 ADAERN CCc1cc(=S)sc(=O)[nH]1 196433167 571983042 /nfs/dbraw/zinc/98/30/42/571983042.db2.gz LLXDMQVTLBQXQG-UHFFFAOYSA-N 0 0 173.262 1.728 10 0 ADAERN C[C@H](CC(N)=O)Nc1cccc(F)c1 41207298 571983083 /nfs/dbraw/zinc/98/30/83/571983083.db2.gz WKKDUDMKXINMGZ-SSDOTTSWSA-N 0 0 196.225 1.502 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)CO 13378694 571983085 /nfs/dbraw/zinc/98/30/85/571983085.db2.gz NMQKRFRZSBQYQF-AXTSPUMRSA-N 0 0 170.252 1.166 10 0 ADAERN Cc1cc(C)c(NCC(N)=O)c(C)c1 41205977 571983442 /nfs/dbraw/zinc/98/34/42/571983442.db2.gz XVQUGXXTIANYPX-UHFFFAOYSA-N 0 0 192.262 1.509 10 0 ADAERN O[C@@H](Cn1ccnc1)c1cccs1 41206699 571983286 /nfs/dbraw/zinc/98/32/86/571983286.db2.gz CHNKAIFIYAFIJC-QMMMGPOBSA-N 0 0 194.259 1.678 10 0 ADAERN CCc1cccc(C)c1NCC(N)=O 41205976 571983328 /nfs/dbraw/zinc/98/33/28/571983328.db2.gz SHUXRGULJPZQBN-UHFFFAOYSA-N 0 0 192.262 1.455 10 0 ADAERN OCc1cccnc1NC1CCCC1 41205990 571983438 /nfs/dbraw/zinc/98/34/38/571983438.db2.gz IGBWOVPEFGVILL-UHFFFAOYSA-N 0 0 192.262 1.928 10 0 ADAERN CCCOCC(=O)c1cc(C)n(C)n1 300847659 571983439 /nfs/dbraw/zinc/98/34/39/571983439.db2.gz HLNMMXLGFXZQIS-UHFFFAOYSA-N 0 0 196.250 1.338 10 0 ADAERN C[C@@H](CC(N)=O)c1cc(F)cc(F)c1 41209763 571983474 /nfs/dbraw/zinc/98/34/74/571983474.db2.gz KTCPOWLOYVQERL-LURJTMIESA-N 0 0 199.200 1.944 10 0 ADAERN CC[C@@H](CO)c1ccc2c(c1)OCO2 41206621 571983498 /nfs/dbraw/zinc/98/34/98/571983498.db2.gz ACNUCZFJXCQYOP-QMMMGPOBSA-N 0 0 194.230 1.901 10 0 ADAERN C[C@H](CO)Oc1ccc2c(c1)CCC2 41205932 571983511 /nfs/dbraw/zinc/98/35/11/571983511.db2.gz XSFTWKRNQJGWLO-SECBINFHSA-N 0 0 192.258 1.935 10 0 ADAERN COC(=O)COc1ccc(C)c(N)c1 300843147 571983527 /nfs/dbraw/zinc/98/35/27/571983527.db2.gz FRFFQBDMMOICDM-UHFFFAOYSA-N 0 0 195.218 1.129 10 0 ADAERN Cc1cccc(C[C@@](C)([NH3+])C(=O)[O-])c1 41206200 571983540 /nfs/dbraw/zinc/98/35/40/571983540.db2.gz NOYQOQVOBSHWEY-LLVKDONJSA-N 0 0 193.246 1.340 10 0 ADAERN C[C@H](O)[C@@H](C)SCc1cnccn1 235553300 571983581 /nfs/dbraw/zinc/98/35/81/571983581.db2.gz QOVCDESZZPPLEF-JGVFFNPUSA-N 0 0 198.291 1.479 10 0 ADAERN CCO[C@@H](C)CNc1cnnn1CC 300845826 571983589 /nfs/dbraw/zinc/98/35/89/571983589.db2.gz JFIFZJAOWKMVDT-QMMMGPOBSA-N 0 0 198.270 1.135 10 0 ADAERN Cc1ncccc1OC[C@H](O)C(C)C 300845789 571983645 /nfs/dbraw/zinc/98/36/45/571983645.db2.gz GCUNKQWCHKAMQC-JTQLQIEISA-N 0 0 195.262 1.786 10 0 ADAERN C[C@H](CCO)c1ccc2c(c1)OCO2 41206624 571983647 /nfs/dbraw/zinc/98/36/47/571983647.db2.gz OKHRWHFEXTUWDR-MRVPVSSYSA-N 0 0 194.230 1.901 10 0 ADAERN CCCC[C@@H](C)c1n[nH]c(=O)o1 300844637 571983653 /nfs/dbraw/zinc/98/36/53/571983653.db2.gz AGLFNSKVLFHPCF-ZCFIWIBFSA-N 0 0 170.212 1.657 10 0 ADAERN CC(C)c1ccc(C(=O)[C@@H](C)O)o1 13534528 571983655 /nfs/dbraw/zinc/98/36/55/571983655.db2.gz VWXWWTFIITYGJG-SSDOTTSWSA-N 0 0 182.219 1.967 10 0 ADAERN S=C1CCCC(=S)N1 13529773 571983703 /nfs/dbraw/zinc/98/37/03/571983703.db2.gz ICJTYWLQSDUPRA-UHFFFAOYSA-N 0 0 145.252 1.415 10 0 ADAERN CC(C)(Oc1ccccc1F)C(N)=O 41207467 571983746 /nfs/dbraw/zinc/98/37/46/571983746.db2.gz GXWPSPKDKYFORY-UHFFFAOYSA-N 0 0 197.209 1.468 10 0 ADAERN CC[C@H](OC)c1ncc(C)c(CO)n1 300847579 571983772 /nfs/dbraw/zinc/98/37/72/571983772.db2.gz ARCWXAYZQYAWPO-VIFPVBQESA-N 0 0 196.250 1.375 10 0 ADAERN CCc1cccc2nc(N)oc(=O)c12 13528154 571983799 /nfs/dbraw/zinc/98/37/99/571983799.db2.gz UWDANBPOSJFHEG-UHFFFAOYSA-N 0 0 190.202 1.333 10 0 ADAERN CC/C=C\C(=O)Nn1cccc1 388406210 571983814 /nfs/dbraw/zinc/98/38/14/571983814.db2.gz SRGAXVAMUZQNRT-UTCJRWHESA-N 0 0 164.208 1.524 10 0 ADAERN CC[C@H](CO)c1ccc2c(c1)OCO2 41206622 571983843 /nfs/dbraw/zinc/98/38/43/571983843.db2.gz ACNUCZFJXCQYOP-MRVPVSSYSA-N 0 0 194.230 1.901 10 0 ADAERN Cc1c(C2CC[NH2+]CC2)o[n-]c1=O 13473964 571983856 /nfs/dbraw/zinc/98/38/56/571983856.db2.gz PACUXLHRGQUIQZ-UHFFFAOYSA-N 0 0 182.223 1.156 10 0 in-vivo ADAERN CC(=O)[C@H](C)C[C@@H]1CCOC1=O 13463066 571983880 /nfs/dbraw/zinc/98/38/80/571983880.db2.gz IBSYDXNDQOJSLK-SVRRBLITSA-N 0 0 170.208 1.165 10 0 ADAERN C/C=C(/Cl)CO 13510236 571983891 /nfs/dbraw/zinc/98/38/91/571983891.db2.gz PGWIETAKNLNHNW-DUXPYHPUSA-N 0 0 106.552 1.121 10 0 ADAERN CC(C)C[C@H](C)[C@@H](C[NH3+])CC(=O)[O-] 300844957 571983897 /nfs/dbraw/zinc/98/38/97/571983897.db2.gz DQCKCAIMUXOMJM-DTWKUNHWSA-N 0 0 187.283 1.718 10 0 ADAERN CCOc1ccc(O)cc1CO 13481790 571983921 /nfs/dbraw/zinc/98/39/21/571983921.db2.gz RPGJIQZXDGEQNQ-UHFFFAOYSA-N 0 0 168.192 1.283 10 0 ADAERN CCc1cc(C(N)=O)c(F)cc1F 205523232 571983997 /nfs/dbraw/zinc/98/39/97/571983997.db2.gz MFNXACXUSQDSSX-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN C[C@@H](Oc1cccc(F)c1)C(N)=S 41209841 571984004 /nfs/dbraw/zinc/98/40/04/571984004.db2.gz HJNSOWAKDBKVJO-ZCFIWIBFSA-N 0 0 199.250 1.879 10 0 ADAERN C[C@H](O)[C@@H](C)SCc1ncon1 235553884 571984024 /nfs/dbraw/zinc/98/40/24/571984024.db2.gz ISTQPYZCZUAQMC-NTSWFWBYSA-N 0 0 188.252 1.072 10 0 ADAERN O=c1[nH]c2ccc(O)cc2cc1Cl 41207169 571984035 /nfs/dbraw/zinc/98/40/35/571984035.db2.gz WNMQBSQPUTXFCR-UHFFFAOYSA-N 0 0 195.605 1.887 10 0 ADAERN O=S(=O)(c1cccs1)C(F)F 41209322 571984043 /nfs/dbraw/zinc/98/40/43/571984043.db2.gz XWYVQOBLTFOIJT-UHFFFAOYSA-N 0 0 198.215 1.744 10 0 ADAERN C[C@H](CC(N)=O)Nc1ccccc1F 41207294 571984052 /nfs/dbraw/zinc/98/40/52/571984052.db2.gz UKRYTMLOKFJQDF-SSDOTTSWSA-N 0 0 196.225 1.502 10 0 ADAERN CC(C)C[C@@H](C)[C@@H](C[NH3+])CC(=O)[O-] 300844961 571984078 /nfs/dbraw/zinc/98/40/78/571984078.db2.gz DQCKCAIMUXOMJM-RKDXNWHRSA-N 0 0 187.283 1.718 10 0 ADAERN CC(C)C[C@@H](C)[C@H](C[NH3+])CC(=O)[O-] 300844956 571984165 /nfs/dbraw/zinc/98/41/65/571984165.db2.gz DQCKCAIMUXOMJM-BDAKNGLRSA-N 0 0 187.283 1.718 10 0 ADAERN CCOC[C@H](O)[C@H]1CCC[C@H]1C 300209519 571984230 /nfs/dbraw/zinc/98/42/30/571984230.db2.gz HJXKKLFVKLXDHF-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN CSC[C@@H](C)C(=O)c1cnn(C)c1 300848182 571984297 /nfs/dbraw/zinc/98/42/97/571984297.db2.gz JKUATZNUUNYMSV-SSDOTTSWSA-N 0 0 198.291 1.602 10 0 ADAERN O=C1CC[C@H](O)c2c(O)ccc(O)c21 13480605 571984330 /nfs/dbraw/zinc/98/43/30/571984330.db2.gz VIORJHPCHINTKE-ZETCQYMHSA-N 0 0 194.186 1.108 10 0 ADAERN CCO[C@H](C)CNc1cnnn1CC 300845825 571984331 /nfs/dbraw/zinc/98/43/31/571984331.db2.gz JFIFZJAOWKMVDT-MRVPVSSYSA-N 0 0 198.270 1.135 10 0 ADAERN CCC[C@@H](C1CC1)[N@H+](CC)CC(=O)[O-] 388677035 571984358 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CCC(C)(C)C[C@H](NN)c1cn[nH]c1 713178554 571989805 /nfs/dbraw/zinc/98/98/05/571989805.db2.gz AEFALIVOGISZAB-VIFPVBQESA-N 0 0 196.298 1.740 10 0 ADAERN CC(=O)C(C)(C)OC(C)C 196174012 571989830 /nfs/dbraw/zinc/98/98/30/571989830.db2.gz MWCBGYPVXXSGDM-UHFFFAOYSA-N 0 0 144.214 1.779 10 0 ADAERN C[C@@H](c1cccs1)N(O)C(N)=O 13762877 571989877 /nfs/dbraw/zinc/98/98/77/571989877.db2.gz AJJJJDIJBDNKBV-YFKPBYRVSA-N 0 0 186.236 1.579 10 0 ADAERN CC(C)c1cc(N)c2oc(=O)[nH]c2c1 41568817 571989889 /nfs/dbraw/zinc/98/98/89/571989889.db2.gz XAYFSEVJOREBRX-UHFFFAOYSA-N 0 0 192.218 1.827 10 0 ADAERN CC[C@@H](CC[NH3+])[P@@](C)(=O)[O-] 13742942 571989918 /nfs/dbraw/zinc/98/99/18/571989918.db2.gz CCGFQGUALPHBIC-LURJTMIESA-N 0 0 165.173 1.014 10 0 in-vivo ADAERN Cc1cc(N)c2ocnc2c1 41568751 571989919 /nfs/dbraw/zinc/98/99/19/571989919.db2.gz RMRKBLMTRRJDLV-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN CCC[C@@H]1CCCNC(=O)C1 139910990 571989931 /nfs/dbraw/zinc/98/99/31/571989931.db2.gz LNXQAQJBGURXMU-MRVPVSSYSA-N 0 0 155.241 1.703 10 0 ADAERN Cc1cccc(O)c1[S@@](C)=O 139920999 571989936 /nfs/dbraw/zinc/98/99/36/571989936.db2.gz SPARKBUDNFVGOU-NSHDSACASA-N 0 0 170.233 1.438 10 0 ADAERN COc1cc(=O)oc2cc[nH]c12 139913609 571989943 /nfs/dbraw/zinc/98/99/43/571989943.db2.gz OBZMWHGQFUFUNO-UHFFFAOYSA-N 0 0 165.148 1.130 10 0 ADAERN CCOCCC[C@H](NN)[C@@H]1C[C@@H]1C 689432920 571989944 /nfs/dbraw/zinc/98/99/44/571989944.db2.gz YQJXVNYIFVXJMV-AEJSXWLSSA-N 0 0 186.299 1.291 10 0 ADAERN Cc1ncc(-c2onc(Cl)c2N)o1 74214320 571989954 /nfs/dbraw/zinc/98/99/54/571989954.db2.gz FADUXOVZGKZZCZ-UHFFFAOYSA-N 0 0 199.597 1.874 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1nnc(N)o1 234005592 571989980 /nfs/dbraw/zinc/98/99/80/571989980.db2.gz CREVANYTEXXNBB-WDSKDSINSA-N 0 0 184.243 1.498 10 0 ADAERN O=C([O-])C[NH2+][C@H]1CCC[C@H](C2CC2)C1 81626957 571989986 /nfs/dbraw/zinc/98/99/86/571989986.db2.gz WVOOPVMHGMBBLN-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN c1ccc(NCCc2c[nH]cn2)nc1 13743049 571989995 /nfs/dbraw/zinc/98/99/95/571989995.db2.gz AZCQYHWUPMGQGF-UHFFFAOYSA-N 0 0 188.234 1.459 10 0 ADAERN C[C@@H]1C[C@](O)(C2CCC2)CO1 401839111 571990010 /nfs/dbraw/zinc/99/00/10/571990010.db2.gz PZRCVAWWADHOID-VXNVDRBHSA-N 0 0 156.225 1.326 10 0 ADAERN CCOCCC[C@H](NN)[C@H]1C[C@H]1C 689432923 571990081 /nfs/dbraw/zinc/99/00/81/571990081.db2.gz YQJXVNYIFVXJMV-UTLUCORTSA-N 0 0 186.299 1.291 10 0 ADAERN CCCCC(=O)[C@H]1CO1 196171811 571990116 /nfs/dbraw/zinc/99/01/16/571990116.db2.gz FYWSMQMVRDYPMM-SSDOTTSWSA-N 0 0 128.171 1.145 10 0 ADAERN CCCCC[C@H](O)Cc1cncn1C 401803925 571990147 /nfs/dbraw/zinc/99/01/47/571990147.db2.gz OZDUPHYUMMRLNC-NSHDSACASA-N 0 0 196.294 1.904 10 0 ADAERN CCCCC[C@@H](O)Cc1cncn1C 401803924 571990228 /nfs/dbraw/zinc/99/02/28/571990228.db2.gz OZDUPHYUMMRLNC-LLVKDONJSA-N 0 0 196.294 1.904 10 0 ADAERN C[C@@H]1CCC[C@@](C[NH3+])(CC(=O)[O-])C1 13779540 571990244 /nfs/dbraw/zinc/99/02/44/571990244.db2.gz UOPIILYKLVDKTK-SCZZXKLOSA-N 0 0 185.267 1.616 10 0 ADAERN CCC[C@H]1CCCC(=O)NC1 139911371 571990264 /nfs/dbraw/zinc/99/02/64/571990264.db2.gz JJYNGBBWAKBLDZ-QMMMGPOBSA-N 0 0 155.241 1.703 10 0 ADAERN Cc1cc([C@@H](C)N(O)C(N)=O)co1 13762855 571990922 /nfs/dbraw/zinc/99/09/22/571990922.db2.gz LULRLPUMBHDNSB-ZCFIWIBFSA-N 0 0 184.195 1.419 10 0 ADAERN CCn1nncc1C(C)(C)C[C@H](C)O 300857299 571990348 /nfs/dbraw/zinc/99/03/48/571990348.db2.gz LSXNLMJBGMBVOH-QMMMGPOBSA-N 0 0 197.282 1.347 10 0 ADAERN C[C@@H](c1ccccc1)N(O)C(N)=O 13762747 571990367 /nfs/dbraw/zinc/99/03/67/571990367.db2.gz LIXQVCKNGBFILF-ZETCQYMHSA-N 0 0 180.207 1.518 10 0 ADAERN CC(C)C[C@H](C)C[C@H](O)c1nc[nH]n1 300854650 571990375 /nfs/dbraw/zinc/99/03/75/571990375.db2.gz FRSRHMFYIRZBTI-IUCAKERBSA-N 0 0 197.282 1.910 10 0 ADAERN CCC(C)(C)C[C@H](NN)c1cn[nH]n1 713180592 571990389 /nfs/dbraw/zinc/99/03/89/571990389.db2.gz UFZYVJZQXSYYPB-ZETCQYMHSA-N 0 0 197.286 1.135 10 0 ADAERN CC[C@H]1CCSC1=O 13821478 571990393 /nfs/dbraw/zinc/99/03/93/571990393.db2.gz UEOXWZWQTPSANN-YFKPBYRVSA-N 0 0 130.212 1.676 10 0 ADAERN O=C([O-])CC1C[NH+](CC2CCCC2)C1 81743376 571990408 /nfs/dbraw/zinc/99/04/08/571990408.db2.gz NTHBZYQLFCTVRM-UHFFFAOYSA-N 0 0 197.278 1.583 10 0 ADAERN Cc1cccc(O)c1[S@](C)=O 139920866 571990412 /nfs/dbraw/zinc/99/04/12/571990412.db2.gz SPARKBUDNFVGOU-LLVKDONJSA-N 0 0 170.233 1.438 10 0 ADAERN Cc1scnc1-c1o[nH]c(=O)c1N 74240422 571990433 /nfs/dbraw/zinc/99/04/33/571990433.db2.gz FVPUPVCMHBPHKU-UHFFFAOYSA-N 0 0 197.219 1.394 10 0 ADAERN Nc1nn(-c2ccccc2F)cc1F 139942596 571991191 /nfs/dbraw/zinc/99/11/91/571991191.db2.gz ZKUGNGWERWMDMZ-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN O=C1C=C(Cc2ccccc2)C(O)O1 206892944 571990460 /nfs/dbraw/zinc/99/04/60/571990460.db2.gz KKZHYMQNFJWJGU-LLVKDONJSA-N 0 0 190.198 1.031 10 0 ADAERN CCn1nc2ccc(C)cc2c1N 219462920 571990487 /nfs/dbraw/zinc/99/04/87/571990487.db2.gz KINLBDLARNNZIN-UHFFFAOYSA-N 0 0 175.235 1.947 10 0 ADAERN CNC(=O)Nc1ccc([C@H](C)O)cc1 41705553 571990517 /nfs/dbraw/zinc/99/05/17/571990517.db2.gz BBVFMMCZFKNRGF-ZETCQYMHSA-N 0 0 194.234 1.491 10 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1.826 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ccccc1CO 139900789 571990652 /nfs/dbraw/zinc/99/06/52/571990652.db2.gz GIRNPDVHOLDZNW-BDAKNGLRSA-N 0 0 195.262 1.360 10 0 ADAERN COCC[C@H](C)Nc1ccncn1 81717652 571991228 /nfs/dbraw/zinc/99/12/28/571991228.db2.gz JHGQJPBFQIQHSS-QMMMGPOBSA-N 0 0 181.239 1.314 10 0 ADAERN CCC(C)(C)C[C@@H](NN)C(F)F 713179012 571990713 /nfs/dbraw/zinc/99/07/13/571990713.db2.gz FETTVBDVESUZQR-ZCFIWIBFSA-N 0 0 180.242 1.910 10 0 ADAERN Nn1cnc(-c2cccc3[nH]ccc23)c1 74238198 571990739 /nfs/dbraw/zinc/99/07/39/571990739.db2.gz MDDQXCPXIIBUPE-UHFFFAOYSA-N 0 0 198.229 1.745 10 0 ADAERN CC(=O)c1cc2nccc(C)n2n1 219460489 571990784 /nfs/dbraw/zinc/99/07/84/571990784.db2.gz YPNSWVRNYJWVHX-UHFFFAOYSA-N 0 0 175.191 1.240 10 0 ADAERN C[C@@H](O)c1ccc2ocnc2c1 41652548 571990810 /nfs/dbraw/zinc/99/08/10/571990810.db2.gz FTIYMCROWAXNLS-ZCFIWIBFSA-N 0 0 163.176 1.881 10 0 ADAERN CC(C)[C@H]1CC[NH2+][C@H](C(=O)[O-])C1 39104477 571990853 /nfs/dbraw/zinc/99/08/53/571990853.db2.gz 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/nfs/dbraw/zinc/99/08/85/571990885.db2.gz UFZYVJZQXSYYPB-SSDOTTSWSA-N 0 0 197.286 1.135 10 0 ADAERN CC[C@H](CC[NH3+])[P@@](C)(=O)[O-] 13742943 571990938 /nfs/dbraw/zinc/99/09/38/571990938.db2.gz CCGFQGUALPHBIC-ZCFIWIBFSA-N 0 0 165.173 1.014 10 0 in-vivo ADAERN COCC[C@H](C)Nc1ccc(N)cn1 81705738 571990942 /nfs/dbraw/zinc/99/09/42/571990942.db2.gz OTHYUMMJSJOTNU-QMMMGPOBSA-N 0 0 195.266 1.501 10 0 ADAERN CC[C@@H]1CCSC1=O 13821476 571990943 /nfs/dbraw/zinc/99/09/43/571990943.db2.gz UEOXWZWQTPSANN-RXMQYKEDSA-N 0 0 130.212 1.676 10 0 ADAERN Nc1nc(-c2ccccn2)c(F)s1 139905789 571990968 /nfs/dbraw/zinc/99/09/68/571990968.db2.gz YREUGTBFAZJWOK-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN CCCCN1C(=S)NCC1(C)C 196178922 571990983 /nfs/dbraw/zinc/99/09/83/571990983.db2.gz NSTPHNXIAGMLAJ-UHFFFAOYSA-N 0 0 186.324 1.755 10 0 ADAERN CC(C)[C@@H]1CC(=O)CC(=S)N1 39104485 571990988 /nfs/dbraw/zinc/99/09/88/571990988.db2.gz MKOUZLYJUCNDFB-ZETCQYMHSA-N 0 0 171.265 1.291 10 0 ADAERN CC[C@@H](C)C1=NC(=O)C2(CCCC2)N1 77945767 571990998 /nfs/dbraw/zinc/99/09/98/571990998.db2.gz ZNGUZQYBEDDLOG-MRVPVSSYSA-N 0 0 194.278 1.874 10 0 ADAERN COCC[C@@H](C)Nc1ccc(N)cn1 81705743 571991006 /nfs/dbraw/zinc/99/10/06/571991006.db2.gz OTHYUMMJSJOTNU-MRVPVSSYSA-N 0 0 195.266 1.501 10 0 ADAERN Cc1scnc1-c1nsc(N)n1 74237438 571991206 /nfs/dbraw/zinc/99/12/06/571991206.db2.gz DJRLZMCVHFDOJK-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN OCCCOc1cncc(Cl)c1 81696648 571991080 /nfs/dbraw/zinc/99/10/80/571991080.db2.gz SEVZWOXIRKUEEO-UHFFFAOYSA-N 0 0 187.626 1.496 10 0 ADAERN CC(C)N1OCCON1C(C)C 39104798 571991099 /nfs/dbraw/zinc/99/10/99/571991099.db2.gz KCDMBICYMBTTPK-UHFFFAOYSA-N 0 0 174.244 1.199 10 0 ADAERN O[C@H]1COc2ccc3[nH]ccc3c2C1 139948155 571991110 /nfs/dbraw/zinc/99/11/10/571991110.db2.gz OHQTZMWSELKEBV-SSDOTTSWSA-N 0 0 189.214 1.464 10 0 ADAERN COC(=O)[C@H](N)C[C@H](C)CC(C)C 300858077 571991120 /nfs/dbraw/zinc/99/11/20/571991120.db2.gz GCKHGXVDSHPPFL-RKDXNWHRSA-N 0 0 187.283 1.559 10 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ADAERN Cc1cnc2cnccc2c1 39117961 571997321 /nfs/dbraw/zinc/99/73/21/571997321.db2.gz XBCZONYMFPDEOH-UHFFFAOYSA-N 0 0 144.177 1.938 10 0 ADAERN CC(C)(C)Cn1ccnc1C=O 713182047 571997325 /nfs/dbraw/zinc/99/73/25/571997325.db2.gz IOUGCZRCKQQXNM-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN CC(C)OC(=O)N1CCSC1=O 39125957 571997357 /nfs/dbraw/zinc/99/73/57/571997357.db2.gz TUPGFFKSXGUMQF-UHFFFAOYSA-N 0 0 189.236 1.700 10 0 ADAERN Cc1cc(=O)n(C(C)C)n1C 39133717 571997380 /nfs/dbraw/zinc/99/73/80/571997380.db2.gz VZHPEWOXZBDJIY-UHFFFAOYSA-N 0 0 154.213 1.076 10 0 ADAERN C[C@H](O)Cc1ccccc1C=O 114068052 571997405 /nfs/dbraw/zinc/99/74/05/571997405.db2.gz HXKFMFYXHPWMGU-QMMMGPOBSA-N 0 0 164.204 1.422 10 0 ADAERN COC[C@@H](OC)[C@H](O)CC(C)(C)C 713181933 571997432 /nfs/dbraw/zinc/99/74/32/571997432.db2.gz HLHUKKCKJFJUBI-RKDXNWHRSA-N 0 0 190.283 1.445 10 0 ADAERN CCc1nc(N)oc1CC 39118574 571997450 /nfs/dbraw/zinc/99/74/50/571997450.db2.gz CRXGZQXCHPUCTJ-UHFFFAOYSA-N 0 0 140.186 1.382 10 0 ADAERN CC[C@@H](C)[C@@H]1COC(=O)C(C)(C)N1 207046981 571997616 /nfs/dbraw/zinc/99/76/16/571997616.db2.gz FSUNYCWXFWVSME-SFYZADRCSA-N 0 0 185.267 1.326 10 0 ADAERN CNC(=S)Nc1ccc(O)cc1C 149247344 571997624 /nfs/dbraw/zinc/99/76/24/571997624.db2.gz RFEHAUNCTNVHJL-UHFFFAOYSA-N 0 0 196.275 1.617 10 0 ADAERN CCC(=O)n1cnc(C(C)(C)C)n1 39125857 571997637 /nfs/dbraw/zinc/99/76/37/571997637.db2.gz YCYJZABIYWDBJU-UHFFFAOYSA-N 0 0 181.239 1.626 10 0 ADAERN c1nc(N2CCCCC2)c[nH]1 39132830 571997644 /nfs/dbraw/zinc/99/76/44/571997644.db2.gz BSTAWYYHYJYBIZ-UHFFFAOYSA-N 0 0 151.213 1.400 10 0 ADAERN Nc1cc(-c2cscn2)ncn1 687697156 571997665 /nfs/dbraw/zinc/99/76/65/571997665.db2.gz MMPJLMLVJVYTAZ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CC(=O)OC(C)(C)C 101085618 571997679 /nfs/dbraw/zinc/99/76/79/571997679.db2.gz BGNHTWNWTUGSML-UHFFFAOYSA-N 0 0 115.152 1.162 10 0 in-vitro ADAERN CCc1ccc(NC)o1 39127058 571997686 /nfs/dbraw/zinc/99/76/86/571997686.db2.gz PLCSJVSWAJTWKL-UHFFFAOYSA-N 0 0 125.171 1.884 10 0 ADAERN CCCCOc1cc[nH]c(=S)n1 382742974 571997688 /nfs/dbraw/zinc/99/76/88/571997688.db2.gz VKKPCHCXZSXJML-UHFFFAOYSA-N 0 0 184.264 1.944 10 0 ADAERN C[C@@H]1OCCc2ccccc2O1 39120082 571997755 /nfs/dbraw/zinc/99/77/55/571997755.db2.gz UNITUMONYGDTGX-MRVPVSSYSA-N 0 0 164.204 1.984 10 0 ADAERN CCCCC[NH2+]CCCC(=O)[O-] 20519765 571997772 /nfs/dbraw/zinc/99/77/72/571997772.db2.gz SVWNYTZMQCVJAY-UHFFFAOYSA-N 0 0 173.256 1.631 10 0 ADAERN CCC(=S)N1CCOCC1 39124566 571997784 /nfs/dbraw/zinc/99/77/84/571997784.db2.gz BGHNVTURKDZXMZ-UHFFFAOYSA-N 0 0 159.254 1.056 10 0 ADAERN Cc1cc(-c2cscn2)nc(N)n1 687697162 571997807 /nfs/dbraw/zinc/99/78/07/571997807.db2.gz RYWQWOHFURBXFK-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@@H]1CC(=S)N(C)C1=S 39124512 571997813 /nfs/dbraw/zinc/99/78/13/571997813.db2.gz NKLXQMFENJIAOJ-SCSAIBSYSA-N 0 0 159.279 1.613 10 0 ADAERN O=C([O-])CC[NH2+][C@H]1C[C@H]2CC=C[C@@H]12 37252475 571997821 /nfs/dbraw/zinc/99/78/21/571997821.db2.gz PLLKTYULWALHIC-HLTSFMKQSA-N 0 0 181.235 1.015 10 0 ADAERN O=Cc1ccc2c(c1)C(=O)OC2 39120481 571997827 /nfs/dbraw/zinc/99/78/27/571997827.db2.gz WVYQGLPLUUMYKQ-UHFFFAOYSA-N 0 0 162.144 1.170 10 0 ADAERN C[C@H]1C[C@](O)(Cc2cccs2)CO1 401878724 571997830 /nfs/dbraw/zinc/99/78/30/571997830.db2.gz LMVWZMUAGMDDOK-WPRPVWTQSA-N 0 0 198.287 1.831 10 0 ADAERN Cc1ccc2ccc(=O)n(O)c2c1 39121554 571997833 /nfs/dbraw/zinc/99/78/33/571997833.db2.gz CXURJWXVSCKUKA-UHFFFAOYSA-N 0 0 175.187 1.547 10 0 ADAERN CCC[C@H](OC)c1ncc(C)c(N)n1 300876827 571997835 /nfs/dbraw/zinc/99/78/35/571997835.db2.gz FNKPIOBMNCMSRI-QMMMGPOBSA-N 0 0 195.266 1.855 10 0 ADAERN Cc1ccoc1-c1nonc1N 74339921 571997865 /nfs/dbraw/zinc/99/78/65/571997865.db2.gz HEPKEMWYLVPPCN-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN CC1=CC(C)(C)Nc2nocc21 39113146 571997874 /nfs/dbraw/zinc/99/78/74/571997874.db2.gz UEQQMGLNBYSGGT-UHFFFAOYSA-N 0 0 164.208 1.542 10 0 ADAERN Cc1cnc(N)nc1-c1cscn1 687697163 571997880 /nfs/dbraw/zinc/99/78/80/571997880.db2.gz UPPBNFFRORTCSH-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCn1nc(C)c(N=O)c1N 39134096 571997882 /nfs/dbraw/zinc/99/78/82/571997882.db2.gz MYLJAOFOJQDLSI-UHFFFAOYSA-N 0 0 154.173 1.192 10 0 ADAERN CCONC1CC(C)C1 233773428 571997891 /nfs/dbraw/zinc/99/78/91/571997891.db2.gz DNIFVAPUVWGNLQ-UHFFFAOYSA-N 0 0 129.203 1.326 10 0 ADAERN CNc1nc[nH]c1Cl 39132826 571997898 /nfs/dbraw/zinc/99/78/98/571997898.db2.gz JIVJOZFYIGJDGV-UHFFFAOYSA-N 0 0 131.566 1.105 10 0 ADAERN Cc1cc(-c2[nH]cnc2N)ccn1 39132972 571997905 /nfs/dbraw/zinc/99/79/05/571997905.db2.gz LNTQPPUOFFNALL-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1cc(N)c2n[nH]cc2c1N 39136032 571997921 /nfs/dbraw/zinc/99/79/21/571997921.db2.gz ZQONSVUZISXSAO-UHFFFAOYSA-N 0 0 162.196 1.036 10 0 ADAERN Nc1cnoc1-c1cccs1 74337967 571997942 /nfs/dbraw/zinc/99/79/42/571997942.db2.gz IQBSOUJHQYKFFQ-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN CC(C)C[C@@H]1COC(=O)C(C)(C)N1 207047069 571997960 /nfs/dbraw/zinc/99/79/60/571997960.db2.gz IAUASWARKMLXAR-MRVPVSSYSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@@H]1Cc2oncc2CN1C 39112871 571998077 /nfs/dbraw/zinc/99/80/77/571998077.db2.gz DXRIOBCVWAQODN-ZCFIWIBFSA-N 0 0 152.197 1.051 10 0 ADAERN C[C@H](N)C(=O)OCC1CCCCCC1 300871412 571998091 /nfs/dbraw/zinc/99/80/91/571998091.db2.gz DVKFDZKNWFKURT-VIFPVBQESA-N 0 0 199.294 1.847 10 0 ADAERN COCCCC[C@](C)(O)C(F)F 686323551 571998092 /nfs/dbraw/zinc/99/80/92/571998092.db2.gz PKXFVODSKKBJGD-QMMMGPOBSA-N 0 0 182.210 1.819 10 0 ADAERN CC(C)[C@@H](O)CNOC(C)(C)C 300874530 571998107 /nfs/dbraw/zinc/99/81/07/571998107.db2.gz LLYMATHSZMKMKP-QMMMGPOBSA-N 0 0 175.272 1.323 10 0 ADAERN C[C@@]1(/C=C/CO)COC2(CCCC2)O1 39112657 571998128 /nfs/dbraw/zinc/99/81/28/571998128.db2.gz MPVULEKZCZRIDX-ORAHPGNNSA-N 0 0 198.262 1.611 10 0 ADAERN Nc1ccsc1-c1cnco1 74337955 571998135 /nfs/dbraw/zinc/99/81/35/571998135.db2.gz XJYXMRGSTJUPMY-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN O=Cc1cc2cc(O)ccc2o1 39136394 571998157 /nfs/dbraw/zinc/99/81/57/571998157.db2.gz LHWMCHLOKJUANF-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN C[C@@H](N)C(=O)OCC1CCCCCC1 300871411 571998191 /nfs/dbraw/zinc/99/81/91/571998191.db2.gz DVKFDZKNWFKURT-SECBINFHSA-N 0 0 199.294 1.847 10 0 ADAERN Cn1cnc2c(C=O)scc21 74337933 571998226 /nfs/dbraw/zinc/99/82/26/571998226.db2.gz JUBZLJIPFGRDCX-UHFFFAOYSA-N 0 0 166.205 1.447 10 0 ADAERN CC[C@H](C)[C@@H]1COC(=O)C(C)(C)N1 207047019 571998229 /nfs/dbraw/zinc/99/82/29/571998229.db2.gz FSUNYCWXFWVSME-YUMQZZPRSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)C1([C@@H](C)O)CC1 219535181 571998261 /nfs/dbraw/zinc/99/82/61/571998261.db2.gz GYNPCXZDPUYZIK-SSDOTTSWSA-N 0 0 128.215 1.803 10 0 ADAERN CC[C@H](C)Cc1cnc(C)c(=O)[nH]1 39114245 571998734 /nfs/dbraw/zinc/99/87/34/571998734.db2.gz UHDLJKFGLQBUKO-ZETCQYMHSA-N 0 0 180.251 1.667 10 0 ADAERN CC(=O)[C@H]1O[C@@H]1C(C)(C)C 207042842 571998401 /nfs/dbraw/zinc/99/84/01/571998401.db2.gz JFVWBPAYNCQKHP-RQJHMYQMSA-N 0 0 142.198 1.389 10 0 ADAERN C/C(=C/C[NH2+][C@@H]1CCC[C@@H]1C)C(=O)[O-] 235571095 571998415 /nfs/dbraw/zinc/99/84/15/571998415.db2.gz IPKGCEURNHGKIN-PKKHPGAQSA-N 0 0 197.278 1.796 10 0 ADAERN CCOC1CC(n2ncc(C)c2N)C1 233775238 571998430 /nfs/dbraw/zinc/99/84/30/571998430.db2.gz SHAYPLRGJSQFLR-UHFFFAOYSA-N 0 0 195.266 1.514 10 0 ADAERN Cc1ccc2c(n1)CCCC(=O)N2 39201039 571998459 /nfs/dbraw/zinc/99/84/59/571998459.db2.gz LDGRXEQZXCEIQQ-UHFFFAOYSA-N 0 0 176.219 1.665 10 0 ADAERN Cc1c(N)nnn1C[C@@H](C)CC(C)C 300877201 571998550 /nfs/dbraw/zinc/99/85/50/571998550.db2.gz IKIHCQQFRSPAKV-QMMMGPOBSA-N 0 0 196.298 1.851 10 0 ADAERN Cc1cnc(-c2cc(N)c[nH]2)o1 74341313 571998743 /nfs/dbraw/zinc/99/87/43/571998743.db2.gz PKNTUIGCRHLPBB-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CCCC[C@@H](C)[C@H](COC)NN 300870233 571998583 /nfs/dbraw/zinc/99/85/83/571998583.db2.gz DPKIDBGOEZVVIP-BDAKNGLRSA-N 0 0 174.288 1.291 10 0 ADAERN CCC1(CC)N[C@H](C(C)C)COC1=O 207047250 571998601 /nfs/dbraw/zinc/99/86/01/571998601.db2.gz GKIHVEVHPQGYNG-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN OC[C@@H](O)/C=C/c1ccccc1F 207049005 571998619 /nfs/dbraw/zinc/99/86/19/571998619.db2.gz VRRUOHRBJYWZEP-CYNONHLPSA-N 0 0 182.194 1.192 10 0 ADAERN CCCC[C@H](C)[C@@H](COC)NN 300870234 571998647 /nfs/dbraw/zinc/99/86/47/571998647.db2.gz DPKIDBGOEZVVIP-DTWKUNHWSA-N 0 0 174.288 1.291 10 0 ADAERN OCC[C@H](O)CCC(F)(F)F 167899592 571998651 /nfs/dbraw/zinc/99/86/51/571998651.db2.gz CQVQEAOLYGVAOF-RXMQYKEDSA-N 0 0 172.146 1.072 10 0 ADAERN CCO[C@H]1C[C@@H](NC#N)C1(C)C 233773151 571998676 /nfs/dbraw/zinc/99/86/76/571998676.db2.gz GSSCOXGSCZCMAE-SFYZADRCSA-N 0 0 168.240 1.261 10 0 ADAERN Nc1nccnc1-c1cscn1 687697160 571998679 /nfs/dbraw/zinc/99/86/79/571998679.db2.gz RKHFRXNBJINVCO-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCC(CC)COC(=O)[C@H](C)NC 300877436 571998683 /nfs/dbraw/zinc/99/86/83/571998683.db2.gz QWFKVIMRBOXZMH-QMMMGPOBSA-N 0 0 187.283 1.574 10 0 ADAERN CCCC[C@H](C)[C@H](COC)NN 300870236 571998693 /nfs/dbraw/zinc/99/86/93/571998693.db2.gz DPKIDBGOEZVVIP-IUCAKERBSA-N 0 0 174.288 1.291 10 0 ADAERN CC[C@H](C)[C@@H]1COCC[C@@H]1O 234016119 571998707 /nfs/dbraw/zinc/99/87/07/571998707.db2.gz DPAFMKUTLXTZLC-CIUDSAMLSA-N 0 0 158.241 1.430 10 0 ADAERN CCOC1CC(O)(c2cccnc2)C1 233772732 571998853 /nfs/dbraw/zinc/99/88/53/571998853.db2.gz KUEDUBDKWRTQIQ-UHFFFAOYSA-N 0 0 193.246 1.468 10 0 ADAERN CC1CCC2(CC1)N[C@H](C)COC2=O 207048123 571998869 /nfs/dbraw/zinc/99/88/69/571998869.db2.gz AYPVTXOHQWCWLD-INWMGODYSA-N 0 0 197.278 1.470 10 0 ADAERN CC1=NNc2ccncc2N1 39209436 571999165 /nfs/dbraw/zinc/99/91/65/571999165.db2.gz PISATXHFKLRAQI-UHFFFAOYSA-N 0 0 148.169 1.252 10 0 ADAERN c1cc2cocc2cn1 39213203 571998914 /nfs/dbraw/zinc/99/89/14/571998914.db2.gz QYNDTTJOWNQBII-UHFFFAOYSA-N 0 0 119.123 1.828 10 0 ADAERN CCCCCNc1nc[nH]c1C(N)=O 114094955 571998921 /nfs/dbraw/zinc/99/89/21/571998921.db2.gz IDNRDNJZLVXQED-UHFFFAOYSA-N 0 0 196.254 1.111 10 0 ADAERN CN1C[C@](C)(c2ccccc2)OC1=O 39206286 571998935 /nfs/dbraw/zinc/99/89/35/571998935.db2.gz SYPZUZSZBWSNNU-LLVKDONJSA-N 0 0 191.230 1.984 10 0 ADAERN CCOC1CC(n2cc[nH]c2=S)C1 233774584 571998947 /nfs/dbraw/zinc/99/89/47/571998947.db2.gz VYFVQACEUPZUDW-UHFFFAOYSA-N 0 0 198.291 1.912 10 0 ADAERN Cc1cc(=S)sc(N)n1 39194523 571999005 /nfs/dbraw/zinc/99/90/05/571999005.db2.gz OQONHOBNDNIHBZ-UHFFFAOYSA-N 0 0 158.251 1.763 10 0 ADAERN Cc1nc(CN(C)C)c(C)s1 165127033 571999054 /nfs/dbraw/zinc/99/90/54/571999054.db2.gz GSEJMJVVVMCPHL-UHFFFAOYSA-N 0 0 170.281 1.822 10 0 ADAERN Cc1nc2cc(C=O)c(C)cc2[nH]1 39210178 571999055 /nfs/dbraw/zinc/99/90/55/571999055.db2.gz BXCRPETWNFEIKP-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN CC1(C)Oc2ccc(CO)cc2O1 39147950 571999079 /nfs/dbraw/zinc/99/90/79/571999079.db2.gz VDCMVFQLPRQFSY-UHFFFAOYSA-N 0 0 180.203 1.686 10 0 ADAERN CCc1c(C)cc(=O)[nH]c1C 39250739 571999096 /nfs/dbraw/zinc/99/90/96/571999096.db2.gz WVMLBUYPCHTSBQ-UHFFFAOYSA-N 0 0 151.209 1.554 10 0 ADAERN CCC(CC)COC(=O)[C@@H](C)NC 300877432 571999113 /nfs/dbraw/zinc/99/91/13/571999113.db2.gz QWFKVIMRBOXZMH-MRVPVSSYSA-N 0 0 187.283 1.574 10 0 ADAERN CNc1nnc(-c2cscn2)s1 687697164 571999123 /nfs/dbraw/zinc/99/91/23/571999123.db2.gz VHCQEFWANBUVFC-UHFFFAOYSA-N 0 0 198.276 1.703 10 0 ADAERN COCc1cc(OC)ccc1OC 33822570 571999134 /nfs/dbraw/zinc/99/91/34/571999134.db2.gz BLXSVSMHJMOYMZ-UHFFFAOYSA-N 0 0 182.219 1.850 10 0 ADAERN CCCC[C@@H](C)[C@@H](COC)NN 300870238 571999135 /nfs/dbraw/zinc/99/91/35/571999135.db2.gz DPKIDBGOEZVVIP-RKDXNWHRSA-N 0 0 174.288 1.291 10 0 ADAERN C[C@@H]1CC[N@@H+](C(C)(C)C(=O)[O-])C1 41884645 571999142 /nfs/dbraw/zinc/99/91/42/571999142.db2.gz ILEZVOIKZDWEMZ-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN O=C1CC[C@@H]2CC=CCCCN12 39184818 571999152 /nfs/dbraw/zinc/99/91/52/571999152.db2.gz CYVUICRCMARGES-VIFPVBQESA-N 0 0 165.236 1.718 10 0 ADAERN O=c1cc2ccccc2co1 39209279 571999178 /nfs/dbraw/zinc/99/91/78/571999178.db2.gz MKHHKAFWMAYADE-UHFFFAOYSA-N 0 0 146.145 1.793 10 0 ADAERN Cn1cnc2csc(C=O)c21 74337925 571999198 /nfs/dbraw/zinc/99/91/98/571999198.db2.gz XXYUWJSWZVHHLQ-UHFFFAOYSA-N 0 0 166.205 1.447 10 0 ADAERN CNCc1nnc(N[C@H](C)C(C)C)o1 234387490 571999206 /nfs/dbraw/zinc/99/92/06/571999206.db2.gz XTGDLMNAHCHFBC-SSDOTTSWSA-N 0 0 198.270 1.245 10 0 ADAERN c1ccc(-c2cncnn2)cc1 39191451 571999239 /nfs/dbraw/zinc/99/92/39/571999239.db2.gz CBEUTJXRHBGFOD-UHFFFAOYSA-N 0 0 157.176 1.539 10 0 ADAERN C[C@@H](CCCC(C)(C)O)[C@@H](C)O 219572328 571999242 /nfs/dbraw/zinc/99/92/42/571999242.db2.gz JSJXUIDIPBOSCT-DTWKUNHWSA-N 0 0 174.284 1.945 10 0 ADAERN CCCCC(=O)[C@@H]1CCCO1 39205747 571999308 /nfs/dbraw/zinc/99/93/08/571999308.db2.gz OMXUQAHCRSTYPG-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN Nc1cc[nH]c1-c1ccncn1 74341889 571999318 /nfs/dbraw/zinc/99/93/18/571999318.db2.gz DIHZTXIIKFMVDT-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN COC[C@@H](C)Oc1ccc(C)c(N)c1 300874546 571999327 /nfs/dbraw/zinc/99/93/27/571999327.db2.gz LMIXWTYYXOOHOK-SECBINFHSA-N 0 0 195.262 1.991 10 0 ADAERN CC(C)[C@@H]1COC(=O)C2(CCCC2)N1 207047553 571999383 /nfs/dbraw/zinc/99/93/83/571999383.db2.gz ADQMYCXHNPQYIT-VIFPVBQESA-N 0 0 197.278 1.470 10 0 ADAERN NO[C@@H]1CCN(c2ccc(F)cc2)C1 219534294 571999391 /nfs/dbraw/zinc/99/93/91/571999391.db2.gz UUTCMGONJKTFNF-SNVBAGLBSA-N 0 0 196.225 1.295 10 0 ADAERN Cc1nccc2nc(C)n(C)c12 39212996 571999439 /nfs/dbraw/zinc/99/94/39/571999439.db2.gz STJRSWFXYMPNCD-UHFFFAOYSA-N 0 0 161.208 1.585 10 0 ADAERN CC(C)n1cc2c(n1)[C@@H](O)CCC2 219575098 571999445 /nfs/dbraw/zinc/99/94/45/571999445.db2.gz AGHZFWXPYPLPAC-VIFPVBQESA-N 0 0 180.251 1.834 10 0 ADAERN c1ccc2c(c1)OCN1CCO[C@H]21 33281844 571999463 /nfs/dbraw/zinc/99/94/63/571999463.db2.gz AQKPUYNSJFDXRI-SNVBAGLBSA-N 0 0 177.203 1.367 10 0 ADAERN CC(C)[C@H](O)CNOC(C)(C)C 300874529 571999473 /nfs/dbraw/zinc/99/94/73/571999473.db2.gz LLYMATHSZMKMKP-MRVPVSSYSA-N 0 0 175.272 1.323 10 0 ADAERN O=Cc1c[nH]c(-n2ccnc2)c1 74341773 571999476 /nfs/dbraw/zinc/99/94/76/571999476.db2.gz WDAWMXOJNGXIJR-UHFFFAOYSA-N 0 0 161.164 1.013 10 0 ADAERN C[C@@H]1COCOC1(C)C 39216545 571999494 /nfs/dbraw/zinc/99/94/94/571999494.db2.gz ULMSSYJQRGAMHY-ZCFIWIBFSA-N 0 0 130.187 1.405 10 0 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571999993 /nfs/dbraw/zinc/99/99/93/571999993.db2.gz NVMIQDLWKACLFX-UHFFFAOYSA-N 0 0 182.267 1.881 10 0 ADAERN COc1cncc(C(=O)CCCO)c1 234925724 572000021 /nfs/dbraw/zinc/00/00/21/572000021.db2.gz SUABWUJODZQKSZ-UHFFFAOYSA-N 0 0 195.218 1.045 10 0 ADAERN S=C1N=NC(c2ccccn2)=N1 13999002 572000228 /nfs/dbraw/zinc/00/02/28/572000228.db2.gz NIJNORWAZAOHBX-UHFFFAOYSA-N 0 0 176.204 1.579 10 0 ADAERN CCC(=O)Nc1onc2c1CCC2 39136828 572000081 /nfs/dbraw/zinc/00/00/81/572000081.db2.gz LXTDFAIPTQDPBH-UHFFFAOYSA-N 0 0 180.207 1.512 10 0 ADAERN CCOc1ccc([C@@H](O)[C@@H](C)O)cc1 219535981 572000083 /nfs/dbraw/zinc/00/00/83/572000083.db2.gz PNKRNVPPMJGIIF-KCJUWKMLSA-N 0 0 196.246 1.500 10 0 ADAERN CCc1nc[nH]c1CC 39251312 572000155 /nfs/dbraw/zinc/00/01/55/572000155.db2.gz CMBRSAKTEQFDPC-UHFFFAOYSA-N 0 0 124.187 1.535 10 0 ADAERN CN1C[C@@](C)(c2ccccc2)OC1=O 39206287 572000166 /nfs/dbraw/zinc/00/01/66/572000166.db2.gz SYPZUZSZBWSNNU-NSHDSACASA-N 0 0 191.230 1.984 10 0 ADAERN CC(C)[N@H+](C)C1(C(=O)[O-])CCCC1 41844733 572000181 /nfs/dbraw/zinc/00/01/81/572000181.db2.gz MFUXTUOPWXUKMT-UHFFFAOYSA-N 0 0 185.267 1.724 10 0 ADAERN CCCC(=O)N1C(=O)OC[C@@H]1C 39139399 572000191 /nfs/dbraw/zinc/00/01/91/572000191.db2.gz FTBWXCQJZQQIRS-LURJTMIESA-N 0 0 171.196 1.154 10 0 ADAERN C[C@@H](O)[C@H](C)CCCC(C)(C)O 219572407 572000199 /nfs/dbraw/zinc/00/01/99/572000199.db2.gz JSJXUIDIPBOSCT-RKDXNWHRSA-N 0 0 174.284 1.945 10 0 ADAERN Cc1nc(C(C)C)c(=O)n(C)c1C 39114242 572000390 /nfs/dbraw/zinc/00/03/90/572000390.db2.gz XXAWUXLLMSRGAS-UHFFFAOYSA-N 0 0 180.251 1.521 10 0 ADAERN CCOc1nccc(N)c1F 219933452 572000394 /nfs/dbraw/zinc/00/03/94/572000394.db2.gz NWXVIVAUGYCCIJ-UHFFFAOYSA-N 0 0 156.160 1.202 10 0 ADAERN S=C1NCCCCCCCCN1 39251521 572000400 /nfs/dbraw/zinc/00/04/00/572000400.db2.gz KOECWMUURCTHHR-UHFFFAOYSA-N 0 0 186.324 1.805 10 0 ADAERN COC1(OC)OCc2ccccc21 39194510 572000404 /nfs/dbraw/zinc/00/04/04/572000404.db2.gz RWICTUAWCAZVPV-UHFFFAOYSA-N 0 0 180.203 1.620 10 0 ADAERN C[C@@H]1CC(=O)CCS1 39200929 572000459 /nfs/dbraw/zinc/00/04/59/572000459.db2.gz GAIBIKWROUJKND-RXMQYKEDSA-N 0 0 130.212 1.471 10 0 ADAERN Cc1ccc([C@](C)(CC[NH3+])C(=O)[O-])o1 219588673 572000576 /nfs/dbraw/zinc/00/05/76/572000576.db2.gz RXULJDBIYGIZPZ-JTQLQIEISA-N 0 0 197.234 1.279 10 0 ADAERN OCCN1CCO[C@H]1c1ccccc1 39258976 572000600 /nfs/dbraw/zinc/00/06/00/572000600.db2.gz SOXALKOOANKAEB-NSHDSACASA-N 0 0 193.246 1.010 10 0 ADAERN CCCCOC(=O)[C@@H](N)CCCC 33949554 572000743 /nfs/dbraw/zinc/00/07/43/572000743.db2.gz XYECQODUCFQYKS-VIFPVBQESA-N 0 0 187.283 1.847 10 0 ADAERN COC(=O)N(C)CCc1ccccc1 34200271 572000770 /nfs/dbraw/zinc/00/07/70/572000770.db2.gz ZUYDRNASONFXJN-UHFFFAOYSA-N 0 0 193.246 1.927 10 0 ADAERN CCCCCC[NH2+]CCC(=O)[O-] 34165936 572000867 /nfs/dbraw/zinc/00/08/67/572000867.db2.gz GJVVIWWPEAZPHI-UHFFFAOYSA-N 0 0 173.256 1.631 10 0 ADAERN CC(C)COC(=O)[C@@H](N)CC(C)C 34140494 572000931 /nfs/dbraw/zinc/00/09/31/572000931.db2.gz MNWYEJOLGOALMX-VIFPVBQESA-N 0 0 187.283 1.559 10 0 ADAERN 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/nfs/dbraw/zinc/00/91/38/572009138.db2.gz MFBMFHMAWZBOEZ-SFYZADRCSA-N 0 0 146.230 1.164 10 0 ADAERN COCCOc1cccc(O)c1C 34962309 572009169 /nfs/dbraw/zinc/00/91/69/572009169.db2.gz YXUIUZXOHVLXKA-UHFFFAOYSA-N 0 0 182.219 1.726 10 0 ADAERN COC[C@H](C)C(=O)c1ncccc1F 687698209 572009245 /nfs/dbraw/zinc/00/92/45/572009245.db2.gz DXBPQYQZKLIJHJ-ZETCQYMHSA-N 0 0 197.209 1.686 10 0 ADAERN CCOC(=O)[C@H]1CCC(=O)[C@H]1C 14592692 572009252 /nfs/dbraw/zinc/00/92/52/572009252.db2.gz XJBOODCLUPPCOG-BQBZGAKWSA-N 0 0 170.208 1.165 10 0 ADAERN CC[C@H](O)COc1cccnc1 68983482 572009253 /nfs/dbraw/zinc/00/92/53/572009253.db2.gz BREZTZSUKCILQV-QMMMGPOBSA-N 0 0 167.208 1.231 10 0 ADAERN CC1=C[C@@H](O)[C@](O)(C(C)C)CC1 14588739 572009255 /nfs/dbraw/zinc/00/92/55/572009255.db2.gz SDNJHIDFKSRYDV-NXEZZACHSA-N 0 0 170.252 1.475 10 0 ADAERN CC(C)[C@@H]1C[C@H](O)[C@@H](C)C[C@@H]1O 14588474 572009257 /nfs/dbraw/zinc/00/92/57/572009257.db2.gz TXISQGBRDPUIBI-XKNYDFJKSA-N 0 0 172.268 1.410 10 0 ADAERN C=C/C=C/C[C@H](O)CC 14616386 572009296 /nfs/dbraw/zinc/00/92/96/572009296.db2.gz MNZVNPXBJGMTLY-HQZHTGGTSA-N 0 0 126.199 1.890 10 0 ADAERN CC1=CNC(=O)[C@@H]2[C@@H](C)CC[C@@H]12 14613369 572009298 /nfs/dbraw/zinc/00/92/98/572009298.db2.gz UFGRADREDASLJW-CNUIFLNQSA-N 0 0 165.236 1.682 10 0 endogenous,in-man ADAERN C=CC1=CC(C)(C)[C@@H](O)[C@@H](O)C1 14616183 572009739 /nfs/dbraw/zinc/00/97/39/572009739.db2.gz LGRVNVACYBVGTJ-IUCAKERBSA-N 0 0 168.236 1.251 10 0 ADAERN C[C@@H](OCc1ccccc1F)C(N)=O 68954489 572009357 /nfs/dbraw/zinc/00/93/57/572009357.db2.gz WJDCDJVFIXXVEQ-SSDOTTSWSA-N 0 0 197.209 1.216 10 0 ADAERN CCc1nn2c(C=O)cnc2s1 33419154 572009362 /nfs/dbraw/zinc/00/93/62/572009362.db2.gz PXZIJHKNNBXAJY-UHFFFAOYSA-N 0 0 181.220 1.166 10 0 ADAERN COCC[C@](C)(O)c1ccoc1 68978919 572009371 /nfs/dbraw/zinc/00/93/71/572009371.db2.gz YGMPQMRRWUTITF-VIFPVBQESA-N 0 0 170.208 1.524 10 0 ADAERN CCC[S@@](=O)CCCC(C)=O 81916155 572009374 /nfs/dbraw/zinc/00/93/74/572009374.db2.gz HHETWLFPBKWOQF-NSHDSACASA-N 0 0 176.281 1.514 10 0 ADAERN CO[C@@H](C)CCNC(=O)[C@H]1C[C@@H]1C 393449404 572009432 /nfs/dbraw/zinc/00/94/32/572009432.db2.gz DHCLIECSKDXFPQ-CIUDSAMLSA-N 0 0 185.267 1.184 10 0 ADAERN C=C/C=C/C=C/[C@H](O)[C@@H](C)O 14614381 572009388 /nfs/dbraw/zinc/00/93/88/572009388.db2.gz UFYPYMBVDNCACU-MMYVSUMLSA-N 0 0 154.209 1.027 10 0 ADAERN CC[C@H](C)OC(=O)[C@@H]1NCCC[C@H]1C 300228630 572009393 /nfs/dbraw/zinc/00/93/93/572009393.db2.gz RGSRSKITRZNAAI-KXUCPTDWSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)(C)C[C@@H](CO)n1cc[nH]c1=O 393449126 572009989 /nfs/dbraw/zinc/00/99/89/572009989.db2.gz CKUAJCCFKDHVDZ-QMMMGPOBSA-N 0 0 198.266 1.558 10 0 ADAERN COCC[C@@](C)(O)c1ccoc1 68978918 572009398 /nfs/dbraw/zinc/00/93/98/572009398.db2.gz YGMPQMRRWUTITF-SECBINFHSA-N 0 0 170.208 1.524 10 0 ADAERN CC(C)C[C@H](C)N(C)C(N)=O 42273093 572009402 /nfs/dbraw/zinc/00/94/02/572009402.db2.gz YOZKLUBEABULMT-ZETCQYMHSA-N 0 0 158.245 1.432 10 0 ADAERN CCOC[C@H](O)CS[C@H](C)CC 68951926 572009414 /nfs/dbraw/zinc/00/94/14/572009414.db2.gz NVVNSLGOQHPVOY-BDAKNGLRSA-N 0 0 192.324 1.916 10 0 ADAERN C=CC(=O)N[C@H](CCC)C1CC1 323920410 572009990 /nfs/dbraw/zinc/00/99/90/572009990.db2.gz VCECKVNDMWDNKG-SECBINFHSA-N 0 0 167.252 1.867 10 0 ADAERN CC(C)(O)C1CCC(CO)CC1 14588480 572009415 /nfs/dbraw/zinc/00/94/15/572009415.db2.gz JWSIEGPLYFXVPK-UHFFFAOYSA-N 0 0 172.268 1.556 10 0 ADAERN [NH3+]CCSc1ccc(C(=O)[O-])o1 68983845 572009428 /nfs/dbraw/zinc/00/94/28/572009428.db2.gz NBOWUQMAXDWJFL-UHFFFAOYSA-N 0 0 187.220 1.029 10 0 ADAERN CC[C@@H](C(=O)OC)c1ccco1 68978533 572009994 /nfs/dbraw/zinc/00/99/94/572009994.db2.gz XEOPXJYMVYFVNX-SSDOTTSWSA-N 0 0 168.192 1.946 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1CCC[C@@H](C)C1 42318173 572009459 /nfs/dbraw/zinc/00/94/59/572009459.db2.gz DPXYWRUOJMKAAS-UTLUCORTSA-N 0 0 199.294 1.970 10 0 ADAERN CCCOC[C@@H](O)c1ccco1 68979512 572009462 /nfs/dbraw/zinc/00/94/62/572009462.db2.gz VVPVWDKOTTXCSK-MRVPVSSYSA-N 0 0 170.208 1.740 10 0 ADAERN C[C@H](CO)c1ccc(CO)cc1 14588637 572009485 /nfs/dbraw/zinc/00/94/85/572009485.db2.gz RPLWCXFKFITSJU-MRVPVSSYSA-N 0 0 166.220 1.275 10 0 ADAERN CCC[S@@](=O)CC(=O)C(C)(C)C 81916207 572009492 /nfs/dbraw/zinc/00/94/92/572009492.db2.gz MUWOPRNBYJIINL-LBPRGKRZSA-N 0 0 190.308 1.760 10 0 ADAERN CCCS(=O)(=O)CCCC(C)=O 81908145 572009503 /nfs/dbraw/zinc/00/95/03/572009503.db2.gz ZXZPLSNOCYBPBZ-UHFFFAOYSA-N 0 0 192.280 1.180 10 0 ADAERN CC(=O)CC[C@H]1OC(=O)C=C1C 14592684 572009506 /nfs/dbraw/zinc/00/95/06/572009506.db2.gz ONKSNFHANJTFMD-MRVPVSSYSA-N 0 0 168.192 1.227 10 0 ADAERN CC(=O)COCc1ccccc1F 68954479 572009508 /nfs/dbraw/zinc/00/95/08/572009508.db2.gz GSBRGYGETCOTQB-UHFFFAOYSA-N 0 0 182.194 1.931 10 0 ADAERN CC(C)[C@H]1CC[C@H](C)[C@@H](O)[C@@H]1O 14588471 572009523 /nfs/dbraw/zinc/00/95/23/572009523.db2.gz WQFGPARDTSBVLU-SGIHWFKDSA-N 0 0 172.268 1.410 10 0 endogenous,in-man ADAERN O=C1CCc2cc3c(cc2O1)OCO3 14591290 572009527 /nfs/dbraw/zinc/00/95/27/572009527.db2.gz YKILGTRJTLBQKC-UHFFFAOYSA-N 0 0 192.170 1.267 10 0 ADAERN O=Cc1ccc([C@H]2CC[S@@](=O)C2)[nH]1 75123856 572009537 /nfs/dbraw/zinc/00/95/37/572009537.db2.gz JJEWHIVWDGDPSY-CPFSXVBKSA-N 0 0 197.259 1.063 10 0 ADAERN CCCN(CCC)NC 114218010 572009542 /nfs/dbraw/zinc/00/95/42/572009542.db2.gz YJSGNHSYRAKFFB-UHFFFAOYSA-N 0 0 130.235 1.243 10 0 ADAERN CCCOC[C@@H](O)c1ccoc1 68979509 572009543 /nfs/dbraw/zinc/00/95/43/572009543.db2.gz DGQVBIRULHVCGV-SECBINFHSA-N 0 0 170.208 1.740 10 0 ADAERN CN(c1ccccc1)C(C)(C)C(N)=O 33432840 572009549 /nfs/dbraw/zinc/00/95/49/572009549.db2.gz MNNRVTCUMVFNJY-UHFFFAOYSA-N 0 0 192.262 1.387 10 0 ADAERN C/C=C(\C)C(=O)OC[C@@H](C)CO 114206478 572009553 /nfs/dbraw/zinc/00/95/53/572009553.db2.gz IKMBHNQPBWCACA-PUSOHNNWSA-N 0 0 172.224 1.124 10 0 ADAERN CCC(=O)C[S@](=O)[C@@H](C)CC 81915539 572009561 /nfs/dbraw/zinc/00/95/61/572009561.db2.gz NIBPLOIUTXKLHO-WRWORJQWSA-N 0 0 176.281 1.513 10 0 ADAERN CCCOCC(=O)C1CCOCC1 68956658 572009582 /nfs/dbraw/zinc/00/95/82/572009582.db2.gz UHPUJUOOBMDYQH-UHFFFAOYSA-N 0 0 186.251 1.409 10 0 ADAERN CC(C)C[C@H](O)c1cnn(C)c1 42268559 572009583 /nfs/dbraw/zinc/00/95/83/572009583.db2.gz VOTZMDWWPCGSEX-VIFPVBQESA-N 0 0 168.240 1.500 10 0 ADAERN CC[C@@H](C)[S@@](=O)CCC(C)=O 81914305 572009592 /nfs/dbraw/zinc/00/95/92/572009592.db2.gz XGHGKYIXGMGGDK-LDYMZIIASA-N 0 0 176.281 1.513 10 0 ADAERN CCCC(=O)CS(=O)(=O)C(C)C 81909139 572009596 /nfs/dbraw/zinc/00/95/96/572009596.db2.gz USMYFYIUNTYEQV-UHFFFAOYSA-N 0 0 192.280 1.179 10 0 ADAERN CSCC[C@@H](O)C1CCOCC1 68956358 572009610 /nfs/dbraw/zinc/00/96/10/572009610.db2.gz HVZOWUTXXMJFAG-SECBINFHSA-N 0 0 190.308 1.527 10 0 ADAERN CCOC(=O)[C@H]1CCC(=O)[C@@H]1C 14592690 572009617 /nfs/dbraw/zinc/00/96/17/572009617.db2.gz XJBOODCLUPPCOG-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN CCCC(=O)C[S@@](=O)CC(C)C 81917419 572009619 /nfs/dbraw/zinc/00/96/19/572009619.db2.gz JSTIYCGLRYURLK-GFCCVEGCSA-N 0 0 190.308 1.760 10 0 ADAERN COCC[C@@](C)(O)C1CCOCC1 68956110 572009624 /nfs/dbraw/zinc/00/96/24/572009624.db2.gz UVKDPXSRKYHTKQ-SNVBAGLBSA-N 0 0 188.267 1.201 10 0 ADAERN CCCCCN[C@@H](C)C(=O)OC 35041568 572009641 /nfs/dbraw/zinc/00/96/41/572009641.db2.gz KKLZWYUVHJZQHC-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN Cc1cc(C)cc(SCC(N)=O)c1 33432893 572010002 /nfs/dbraw/zinc/01/00/02/572010002.db2.gz BPHUMJHQTWOORK-UHFFFAOYSA-N 0 0 195.287 1.881 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)OCC1CC1 393449358 572009643 /nfs/dbraw/zinc/00/96/43/572009643.db2.gz DFNBQNFHSNVLEY-HTRCEHHLSA-N 0 0 169.224 1.531 10 0 ADAERN CC(=O)C[S@](=O)Cc1ccccc1 81914026 572009646 /nfs/dbraw/zinc/00/96/46/572009646.db2.gz ASCWQBFLVDWUKQ-CYBMUJFWSA-N 0 0 196.271 1.524 10 0 ADAERN CC(C)Cc1n[nH]c2c1C(=O)COC2 76636035 572009652 /nfs/dbraw/zinc/00/96/52/572009652.db2.gz XOGHONSCNILGMY-UHFFFAOYSA-N 0 0 194.234 1.321 10 0 ADAERN CCCC(=O)C[S@@](=O)C(C)(C)C 81915987 572009659 /nfs/dbraw/zinc/00/96/59/572009659.db2.gz ZEQMFTHFEFJRFO-LBPRGKRZSA-N 0 0 190.308 1.903 10 0 ADAERN CC[C@H](C)S(=O)(=O)CCC(C)=O 81907888 572010003 /nfs/dbraw/zinc/01/00/03/572010003.db2.gz PWFXNFRNNPPTQG-QMMMGPOBSA-N 0 0 192.280 1.179 10 0 ADAERN CC(C)[C@H](O)CC[C@H](C)O 14591945 572009676 /nfs/dbraw/zinc/00/96/76/572009676.db2.gz MFBMFHMAWZBOEZ-JGVFFNPUSA-N 0 0 146.230 1.164 10 0 ADAERN CCCOC[C@H](O)c1ccco1 68979511 572009678 /nfs/dbraw/zinc/00/96/78/572009678.db2.gz VVPVWDKOTTXCSK-QMMMGPOBSA-N 0 0 170.208 1.740 10 0 ADAERN CCC[S@](=O)CCCC(C)=O 81916156 572009728 /nfs/dbraw/zinc/00/97/28/572009728.db2.gz HHETWLFPBKWOQF-LLVKDONJSA-N 0 0 176.281 1.514 10 0 ADAERN CCO[C@]1(C(=O)C2CCC2)CCOC1 402072536 572009759 /nfs/dbraw/zinc/00/97/59/572009759.db2.gz IMRAPDWFVRVLMQ-LLVKDONJSA-N 0 0 198.262 1.551 10 0 ADAERN CCC[S@](=O)CC(=O)C1CC1 81916154 572010009 /nfs/dbraw/zinc/01/00/09/572010009.db2.gz ZMKVYORKHLKRTQ-LLVKDONJSA-N 0 0 174.265 1.124 10 0 ADAERN CCCC(=O)C[S@](=O)CC(C)C 81917420 572009765 /nfs/dbraw/zinc/00/97/65/572009765.db2.gz JSTIYCGLRYURLK-LBPRGKRZSA-N 0 0 190.308 1.760 10 0 ADAERN CNCC(=O)OCc1ccccc1F 68953896 572010010 /nfs/dbraw/zinc/01/00/10/572010010.db2.gz XHBLNTPUSIBGCY-UHFFFAOYSA-N 0 0 197.209 1.088 10 0 ADAERN CC(C)C[C@H](O)CCCO 14591939 572009798 /nfs/dbraw/zinc/00/97/98/572009798.db2.gz MFYZEGVPIKYAGE-MRVPVSSYSA-N 0 0 146.230 1.166 10 0 ADAERN COC(=O)COCc1ccccc1F 68953827 572009800 /nfs/dbraw/zinc/00/98/00/572009800.db2.gz JQEBZCYHKRINHJ-UHFFFAOYSA-N 0 0 198.193 1.515 10 0 ADAERN CC[C@H](C)[S@@](=O)CCC(C)=O 81914309 572010016 /nfs/dbraw/zinc/01/00/16/572010016.db2.gz XGHGKYIXGMGGDK-GZMMTYOYSA-N 0 0 176.281 1.513 10 0 ADAERN C=C/C=C/C=C/[C@@H](O)[C@@H](C)O 14614383 572009844 /nfs/dbraw/zinc/00/98/44/572009844.db2.gz UFYPYMBVDNCACU-FFPQGIBZSA-N 0 0 154.209 1.027 10 0 ADAERN CC/C=C/C=C/CCO 14616382 572009845 /nfs/dbraw/zinc/00/98/45/572009845.db2.gz ZVVFQUSSYQVVJC-VNKDHWASSA-N 0 0 126.199 1.891 10 0 endogenous,in-man ADAERN CC[C@@H](C)[S@](=O)CC(=O)C1CC1 81915155 572009851 /nfs/dbraw/zinc/00/98/51/572009851.db2.gz ZYUDYBSCVFLQJB-KRTXAFLBSA-N 0 0 188.292 1.513 10 0 ADAERN C/C(=C/CO)c1ccc(C)c(=O)o1 14592411 572009852 /nfs/dbraw/zinc/00/98/52/572009852.db2.gz VAFOLTKCMXTVQD-ALCCZGGFSA-N 0 0 180.203 1.344 10 0 ADAERN CC(C)[C@@H](O)CC[C@H](C)O 14591944 572009832 /nfs/dbraw/zinc/00/98/32/572009832.db2.gz MFBMFHMAWZBOEZ-YUMQZZPRSA-N 0 0 146.230 1.164 10 0 ADAERN CCOC[C@@H](O)CS[C@@H](C)CC 68951923 572009834 /nfs/dbraw/zinc/00/98/34/572009834.db2.gz NVVNSLGOQHPVOY-DTWKUNHWSA-N 0 0 192.324 1.916 10 0 ADAERN CC[C@H](C(=O)OC)c1ccco1 68978531 572009837 /nfs/dbraw/zinc/00/98/37/572009837.db2.gz XEOPXJYMVYFVNX-ZETCQYMHSA-N 0 0 168.192 1.946 10 0 ADAERN C[C@H](OCc1ccccc1F)C(N)=O 68954488 572009871 /nfs/dbraw/zinc/00/98/71/572009871.db2.gz WJDCDJVFIXXVEQ-ZETCQYMHSA-N 0 0 197.209 1.216 10 0 ADAERN CCCOCC(=O)c1ccoc1 68979410 572009878 /nfs/dbraw/zinc/00/98/78/572009878.db2.gz SAHITXBKROOHGZ-UHFFFAOYSA-N 0 0 168.192 1.889 10 0 ADAERN CC(C)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 14588459 572009984 /nfs/dbraw/zinc/00/99/84/572009984.db2.gz RYLFWQILVNWPEL-KXUCPTDWSA-N 0 0 172.268 1.554 10 0 ADAERN CC(=O)CCC[S@@](=O)CC(C)C 81917388 572009917 /nfs/dbraw/zinc/00/99/17/572009917.db2.gz VJLFQQJXLNDTJM-LBPRGKRZSA-N 0 0 190.308 1.760 10 0 ADAERN CCOC[C@@H](O)CSC(C)C 68952097 572009970 /nfs/dbraw/zinc/00/99/70/572009970.db2.gz JHJYPLOUNDIHLO-MRVPVSSYSA-N 0 0 178.297 1.525 10 0 ADAERN CCCC(=O)C[S@@](=O)[C@@H](C)CC 81915412 572009972 /nfs/dbraw/zinc/00/99/72/572009972.db2.gz USCLYMZLRMXKFF-UFBFGSQYSA-N 0 0 190.308 1.903 10 0 ADAERN CC(C)N(C)CC(=O)c1ccn(C)c1 35023002 572009973 /nfs/dbraw/zinc/00/99/73/572009973.db2.gz KTRRVKNMVBSVRT-UHFFFAOYSA-N 0 0 194.278 1.548 10 0 ADAERN CCSCCC(C)=O 14589048 572009980 /nfs/dbraw/zinc/00/99/80/572009980.db2.gz UPKQAWOHTVULTK-UHFFFAOYSA-N 0 0 132.228 1.719 10 0 ADAERN NC(=O)CCOCc1ccccc1F 68954484 572010638 /nfs/dbraw/zinc/01/06/38/572010638.db2.gz UOAIWKKTEYLNNG-UHFFFAOYSA-N 0 0 197.209 1.218 10 0 ADAERN CCCC[C@@H](O)C1CCOCC1 68956354 572010028 /nfs/dbraw/zinc/01/00/28/572010028.db2.gz HJNYDHXWUMPOIE-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CCC(=O)C[S@@](=O)[C@H](C)CC 81915543 572010056 /nfs/dbraw/zinc/01/00/56/572010056.db2.gz NIBPLOIUTXKLHO-HQJQHLMTSA-N 0 0 176.281 1.513 10 0 ADAERN CC[C@@H](O)CCCC[C@@H](C)O 14614367 572010058 /nfs/dbraw/zinc/01/00/58/572010058.db2.gz GYCRPIGNULTGIK-RKDXNWHRSA-N 0 0 160.257 1.699 10 0 ADAERN CC(C)(C)[S@@](=O)CC(=O)C1CC1 81915953 572010079 /nfs/dbraw/zinc/01/00/79/572010079.db2.gz PBQVFPDMHUFVGA-GFCCVEGCSA-N 0 0 188.292 1.513 10 0 ADAERN CCCOC[C@@H](O)C1CCOCC1 68956822 572010084 /nfs/dbraw/zinc/01/00/84/572010084.db2.gz QAQBXSXZQWOXHE-SNVBAGLBSA-N 0 0 188.267 1.201 10 0 ADAERN CCCCS(=O)(=O)[C@H](C)C(C)=O 81908446 572010086 /nfs/dbraw/zinc/01/00/86/572010086.db2.gz MZTKJLVTZZFDGV-MRVPVSSYSA-N 0 0 192.280 1.179 10 0 ADAERN CCCOC[C@H](O)C1CCOCC1 68956818 572010131 /nfs/dbraw/zinc/01/01/31/572010131.db2.gz QAQBXSXZQWOXHE-JTQLQIEISA-N 0 0 188.267 1.201 10 0 ADAERN C=CC1=CC(C)(C)[C@H](O)[C@H](O)C1 14616184 572010160 /nfs/dbraw/zinc/01/01/60/572010160.db2.gz LGRVNVACYBVGTJ-RKDXNWHRSA-N 0 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35022920 572011411 /nfs/dbraw/zinc/01/14/11/572011411.db2.gz LPTAVUCPYLCCPT-UHFFFAOYSA-N 0 0 181.235 1.803 10 0 ADAERN CC1=CCC[C@@H](O)C1 14591034 572011429 /nfs/dbraw/zinc/01/14/29/572011429.db2.gz HKVFKEJBSWJQMU-SSDOTTSWSA-N 0 0 112.172 1.478 10 0 endogenous,in-man ADAERN CCCC(=O)C[S@](=O)CCC 81916188 572011431 /nfs/dbraw/zinc/01/14/31/572011431.db2.gz PVRFGRZSLSVQNV-NSHDSACASA-N 0 0 176.281 1.514 10 0 ADAERN CC(=O)[C@@H](C)S(=O)(=O)CC(C)C 81907448 572011434 /nfs/dbraw/zinc/01/14/34/572011434.db2.gz CNPRDFYCNGDPOY-MRVPVSSYSA-N 0 0 192.280 1.035 10 0 ADAERN C[C@H]1OCCCS1 14592621 572011435 /nfs/dbraw/zinc/01/14/35/572011435.db2.gz VKZBKCJAWXBYBF-YFKPBYRVSA-N 0 0 118.201 1.486 10 0 endogenous,in-man ADAERN CC(C)C[S@@](=O)CC(=O)C1CC1 81917385 572011461 /nfs/dbraw/zinc/01/14/61/572011461.db2.gz RQJBJQHDVWGXKR-LBPRGKRZSA-N 0 0 188.292 1.370 10 0 ADAERN CC(C)C[S@@](C)=O 14592973 572011464 /nfs/dbraw/zinc/01/14/64/572011464.db2.gz UBHUWXOZPBPCFN-ZETCQYMHSA-N 0 0 120.217 1.021 10 0 ADAERN 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/nfs/dbraw/zinc/01/15/52/572011552.db2.gz NCXIBOUECOTHOX-HTRCEHHLSA-N 0 0 192.280 1.177 10 0 ADAERN Cc1sc2c(c1N)NC(=O)CN2C 75123994 572011560 /nfs/dbraw/zinc/01/15/60/572011560.db2.gz GLHDQYPMRGDNIJ-UHFFFAOYSA-N 0 0 197.263 1.027 10 0 ADAERN CC(C)C[C@@H](O)c1cnn(C)c1 42268562 572011564 /nfs/dbraw/zinc/01/15/64/572011564.db2.gz VOTZMDWWPCGSEX-SECBINFHSA-N 0 0 168.240 1.500 10 0 ADAERN CC[C@@H](C)S(=O)(=O)[C@@H](C)C(C)=O 81907893 572011578 /nfs/dbraw/zinc/01/15/78/572011578.db2.gz NCXIBOUECOTHOX-SVRRBLITSA-N 0 0 192.280 1.177 10 0 ADAERN CC(C[C@H](C)O)C[C@H](C)O 14591937 572011585 /nfs/dbraw/zinc/01/15/85/572011585.db2.gz LFWYBPFYLUEUIJ-YUMQZZPRSA-N 0 0 146.230 1.164 10 0 ADAERN CC(C)C1=C[C@H](O)[C@@](C)(O)CC1 14588823 572011596 /nfs/dbraw/zinc/01/15/96/572011596.db2.gz QQMJLNCENDJRCL-UWVGGRQHSA-N 0 0 170.252 1.475 10 0 ADAERN CC[C@@H](C)S(=O)(=O)CCC(C)=O 81907887 572011608 /nfs/dbraw/zinc/01/16/08/572011608.db2.gz PWFXNFRNNPPTQG-MRVPVSSYSA-N 0 0 192.280 1.179 10 0 ADAERN CCCC(=O)C[S@@](=O)CCC 81916187 572011613 /nfs/dbraw/zinc/01/16/13/572011613.db2.gz PVRFGRZSLSVQNV-LLVKDONJSA-N 0 0 176.281 1.514 10 0 ADAERN CCCC[C@@]1(CC)C[NH2+]C[C@H]1C(=O)[O-] 68989636 572011621 /nfs/dbraw/zinc/01/16/21/572011621.db2.gz KAHADBSLTWELFR-ONGXEEELSA-N 0 0 199.294 1.877 10 0 ADAERN CC[N@H+](CC1CC1)[C@@H](C)CCC(=O)[O-] 68947391 572011656 /nfs/dbraw/zinc/01/16/56/572011656.db2.gz PQJVTHDYHMXUSL-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCCCS(=O)(=O)CCC(C)=O 81908442 572011662 /nfs/dbraw/zinc/01/16/62/572011662.db2.gz QUQDPRMKXVSTRZ-UHFFFAOYSA-N 0 0 192.280 1.180 10 0 ADAERN CC[C@@H](C)[S@@](=O)[C@@H](C)C(C)=O 81914342 572011678 /nfs/dbraw/zinc/01/16/78/572011678.db2.gz MDFJSQASGSOQBX-ZYAQMDEOSA-N 0 0 176.281 1.511 10 0 ADAERN CC(=O)CCC[S@@](=O)C(C)(C)C 81915955 572011684 /nfs/dbraw/zinc/01/16/84/572011684.db2.gz DRBHRQAXOHPMRX-LBPRGKRZSA-N 0 0 190.308 1.903 10 0 ADAERN Cc1nn([C@H]2CCC[C@@H]2O)c(C)c1C 42287731 572011711 /nfs/dbraw/zinc/01/17/11/572011711.db2.gz 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/nfs/dbraw/zinc/01/17/90/572011790.db2.gz VZRSYYGPQLMVIT-SNVBAGLBSA-N 0 0 187.283 1.718 10 0 ADAERN COC[C@@H](C)C(=O)[C@H]1CCCS1 687698403 572011870 /nfs/dbraw/zinc/01/18/70/572011870.db2.gz PJOWEQPWPBSSEL-HTQZYQBOSA-N 0 0 188.292 1.734 10 0 ADAERN CCCC[C@](CC)([NH2+]C)C(=O)[O-] 68986300 572011889 /nfs/dbraw/zinc/01/18/89/572011889.db2.gz OGBXPIYQYMDWSO-VIFPVBQESA-N 0 0 173.256 1.629 10 0 ADAERN CCCC[C@@H](CC)NCC(=O)OC 68985274 572011909 /nfs/dbraw/zinc/01/19/09/572011909.db2.gz BBDRWMJACPMKCE-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN COC[C@H](C)C(=O)[C@H]1CC1(C)C 687698356 572011921 /nfs/dbraw/zinc/01/19/21/572011921.db2.gz DBPKBYQBUMSFEK-JGVFFNPUSA-N 0 0 170.252 1.884 10 0 ADAERN CC(C)C[NH2+]Cc1ncc(C(=O)[O-])o1 219643717 572011953 /nfs/dbraw/zinc/01/19/53/572011953.db2.gz FUKNKXIUJJGFMY-UHFFFAOYSA-N 0 0 198.222 1.118 10 0 ADAERN CO[C@H](C)C[C@@H](O)[C@H]1CCCOC1 300232424 572011962 /nfs/dbraw/zinc/01/19/62/572011962.db2.gz LNXQBBMPSNUFKF-KXUCPTDWSA-N 0 0 188.267 1.199 10 0 ADAERN 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DHKRWEXOUMKYTM-SSDOTTSWSA-N 0 0 194.221 1.698 10 0 ADAERN CONCCOc1ccc(OC)cc1 82375435 572021922 /nfs/dbraw/zinc/02/19/22/572021922.db2.gz PPYPAWJNDAWGHW-UHFFFAOYSA-N 0 0 197.234 1.225 10 0 ADAERN C[C@H](O)CCCCO[C@@H]1CCOC1 82455147 572021971 /nfs/dbraw/zinc/02/19/71/572021971.db2.gz QXUMEVFOYHGDHB-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CSC(C)(C)C(=O)C(F)F 687699092 572021987 /nfs/dbraw/zinc/02/19/87/572021987.db2.gz XKDQDUZTYMOTKO-UHFFFAOYSA-N 0 0 168.208 1.962 10 0 ADAERN CC[C@@](C)(C[NH+]1CCC1)C(=O)[O-] 687774421 572022019 /nfs/dbraw/zinc/02/20/19/572022019.db2.gz FRDJXHSYLYXRNN-VIFPVBQESA-N 0 0 171.240 1.193 10 0 ADAERN CC(C)C[C@H](C)OC(=O)[C@@H](C)N 42462836 572022022 /nfs/dbraw/zinc/02/20/22/572022022.db2.gz OEMFVPHMHGEUQG-JGVFFNPUSA-N 0 0 173.256 1.311 10 0 ADAERN CSCC[C@@H](O)c1ccnn1C 69019561 572022031 /nfs/dbraw/zinc/02/20/31/572022031.db2.gz XKLDAJFRKCDPGK-MRVPVSSYSA-N 0 0 186.280 1.207 10 0 ADAERN CCC(CC)[C@H](O)C(=O)C(F)F 687699086 572022035 /nfs/dbraw/zinc/02/20/35/572022035.db2.gz WWPGHBWDYOCIJN-LURJTMIESA-N 0 0 180.194 1.618 10 0 ADAERN COCC[C@H](O)C[C@H]1CCCCO1 687774391 572022041 /nfs/dbraw/zinc/02/20/41/572022041.db2.gz AMEWKDIRVICJNN-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CCOC(C)(C)C(=O)C(F)F 687699068 572022311 /nfs/dbraw/zinc/02/23/11/572022311.db2.gz SLWAQIGVNPNWCU-UHFFFAOYSA-N 0 0 166.167 1.636 10 0 ADAERN COCC[C@@H](O)C[C@@H]1CCCCO1 687774392 572022083 /nfs/dbraw/zinc/02/20/83/572022083.db2.gz AMEWKDIRVICJNN-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CCCC[C@@H](O)c1ccnn1C 69019558 572022099 /nfs/dbraw/zinc/02/20/99/572022099.db2.gz MJGZSPPMQQUGRV-SECBINFHSA-N 0 0 168.240 1.644 10 0 ADAERN COCC[C@H](O)C[C@@H]1CCCCO1 687774390 572022115 /nfs/dbraw/zinc/02/21/15/572022115.db2.gz AMEWKDIRVICJNN-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CCCn1ccc(C(=O)OCC)n1 26546665 572022119 /nfs/dbraw/zinc/02/21/19/572022119.db2.gz ZAOGAUGHOLRAKQ-UHFFFAOYSA-N 0 0 182.223 1.470 10 0 ADAERN CCC(CC)[C@@H](O)c1ccnn1C 69019329 572022209 /nfs/dbraw/zinc/02/22/09/572022209.db2.gz YGUFGGIXTVOOEP-SNVBAGLBSA-N 0 0 182.267 1.890 10 0 ADAERN CCn1nc(C)c(CCCO)c1C 26547238 572022231 /nfs/dbraw/zinc/02/22/31/572022231.db2.gz MYIOLGFKDMQMJM-UHFFFAOYSA-N 0 0 182.267 1.445 10 0 ADAERN C[C@@]1(C(=O)[O-])CCCC[C@H]1[NH+]1CCC1 687774425 572022242 /nfs/dbraw/zinc/02/22/42/572022242.db2.gz FTMNKIPBSXPGAT-MWLCHTKSSA-N 0 0 197.278 1.726 10 0 ADAERN CCC(C)(C)N(C)C(=O)CC(C)=O 69014578 572022267 /nfs/dbraw/zinc/02/22/67/572022267.db2.gz OBLKAIDFZKWXEG-UHFFFAOYSA-N 0 0 185.267 1.613 10 0 ADAERN CO[C@H](COC(=O)C(F)F)C1CC1 393463564 572022410 /nfs/dbraw/zinc/02/24/10/572022410.db2.gz BGORFHZOLDKPLL-ZCFIWIBFSA-N 0 0 194.177 1.220 10 0 ADAERN CC[C@@H](C)N[C@H](C(=O)OC)C(C)C 35346339 572022408 /nfs/dbraw/zinc/02/24/08/572022408.db2.gz SPALHEFUJJESJR-BDAKNGLRSA-N 0 0 187.283 1.572 10 0 ADAERN CCC(CC)[C@@H](O)C(=O)C(F)F 687699087 572022466 /nfs/dbraw/zinc/02/24/66/572022466.db2.gz WWPGHBWDYOCIJN-ZCFIWIBFSA-N 0 0 180.194 1.618 10 0 ADAERN C[C@@H](O)CCCCO[C@H]1CCOC1 82455150 572022494 /nfs/dbraw/zinc/02/24/94/572022494.db2.gz QXUMEVFOYHGDHB-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@]1(C(=O)[O-])CCCC[C@@H]1[NH+]1CCC1 687774422 572022502 /nfs/dbraw/zinc/02/25/02/572022502.db2.gz FTMNKIPBSXPGAT-GXSJLCMTSA-N 0 0 197.278 1.726 10 0 ADAERN CCOCCOc1cccc(N)c1C 35358785 572022504 /nfs/dbraw/zinc/02/25/04/572022504.db2.gz MSCBMHZQBBPDJH-UHFFFAOYSA-N 0 0 195.262 1.993 10 0 ADAERN C/C=C\C[N@H+]1CC[C@@](CC)(C(=O)[O-])C1 213924593 572022528 /nfs/dbraw/zinc/02/25/28/572022528.db2.gz CNBREVWLGGTOAQ-USEMIUTHSA-N 0 0 197.278 1.749 10 0 ADAERN COCCOCc1cc(F)ccc1N 35308754 572022570 /nfs/dbraw/zinc/02/25/70/572022570.db2.gz LCANSMKDJFNYOM-UHFFFAOYSA-N 0 0 199.225 1.571 10 0 ADAERN CC[C@@H](O)c1cc(OC)cc(=O)o1 14828569 572022621 /nfs/dbraw/zinc/02/26/21/572022621.db2.gz FCFBQZNOJAXLQI-SSDOTTSWSA-N 0 0 184.191 1.092 10 0 ADAERN CC[C@H]([NH2+]C[C@H]1CC[C@H](C)C1)C(=O)[O-] 300240963 572022644 /nfs/dbraw/zinc/02/26/44/572022644.db2.gz HCNSZCWPXCRILS-GUBZILKMSA-N 0 0 199.294 1.875 10 0 ADAERN CC1(C)C[C@@H]1C(=O)C(F)F 687699065 572022667 /nfs/dbraw/zinc/02/26/67/572022667.db2.gz QPBDWWRLCZGFNG-SCSAIBSYSA-N 0 0 148.152 1.867 10 0 ADAERN CC(C)[C@@H](O)CCC(=O)C1CC1 300888700 572022781 /nfs/dbraw/zinc/02/27/81/572022781.db2.gz OCSUFCZHPXXBMN-VIFPVBQESA-N 0 0 170.252 1.763 10 0 ADAERN COc1ccc([C@H]2CC(=O)CO2)cc1 165402454 572022828 /nfs/dbraw/zinc/02/28/28/572022828.db2.gz SRLNBYOGJZVGHE-LLVKDONJSA-N 0 0 192.214 1.726 10 0 ADAERN CCOC(=O)N(C)[C@@H](C)CC 82393649 572022837 /nfs/dbraw/zinc/02/28/37/572022837.db2.gz JBTLQJKSNOZJHB-ZETCQYMHSA-N 0 0 159.229 1.873 10 0 ADAERN CCC(=O)N(C)Cc1cccc(N)c1 35359707 572022839 /nfs/dbraw/zinc/02/28/39/572022839.db2.gz PMLBCPCQVFKWIF-UHFFFAOYSA-N 0 0 192.262 1.637 10 0 ADAERN CCC(CC)[C@H](O)c1ccnn1C 69019328 572022850 /nfs/dbraw/zinc/02/28/50/572022850.db2.gz YGUFGGIXTVOOEP-JTQLQIEISA-N 0 0 182.267 1.890 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)OCC(F)(F)F 82403802 572022854 /nfs/dbraw/zinc/02/28/54/572022854.db2.gz NILPDUKPJKRWOQ-WHFBIAKZSA-N 0 0 197.156 1.683 10 0 ADAERN CO[C@@H](C1CC1)[C@@H](O)C(F)F 687774811 572022863 /nfs/dbraw/zinc/02/28/63/572022863.db2.gz MKLYHAOWZKKDOD-RITPCOANSA-N 0 0 166.167 1.037 10 0 ADAERN CC[C@H](Cc1nccn1C)C(=O)[O-] 82395361 572023076 /nfs/dbraw/zinc/02/30/76/572023076.db2.gz DCYBUOAFSIBRQX-SSDOTTSWSA-N 0 0 182.223 1.073 10 0 ADAERN Cc1c[nH+]c(NCCCCO)c(N)c1 235830022 572022961 /nfs/dbraw/zinc/02/29/61/572022961.db2.gz LAWFUKJMZKQCKA-UHFFFAOYSA-N 0 0 195.266 1.157 10 0 ADAERN CCOc1cccc(SCCO)n1 82458437 572022974 /nfs/dbraw/zinc/02/29/74/572022974.db2.gz PGIQEJPNJCTMHJ-UHFFFAOYSA-N 0 0 199.275 1.565 10 0 ADAERN CCCc1coc2c1C[C@H](O)[C@H](O)C2 14825367 572022988 /nfs/dbraw/zinc/02/29/88/572022988.db2.gz MSYDKMYBOQUEDH-VHSXEESVSA-N 0 0 196.246 1.053 10 0 ADAERN C[C@@H]1CN(CC(C)(C)CO)C(=O)[C@H]1C 687819924 572022993 /nfs/dbraw/zinc/02/29/93/572022993.db2.gz MJGLOLUBCYWROH-BDAKNGLRSA-N 0 0 199.294 1.119 10 0 ADAERN COCC[C@@H](O)c1occc1C 687774298 572023035 /nfs/dbraw/zinc/02/30/35/572023035.db2.gz QQOWYPNCIAJICO-MRVPVSSYSA-N 0 0 170.208 1.658 10 0 ADAERN C[C@@H]1C(=O)N(CC(C)(C)CO)C[C@@H]1C 687819926 572023065 /nfs/dbraw/zinc/02/30/65/572023065.db2.gz MJGLOLUBCYWROH-IUCAKERBSA-N 0 0 199.294 1.119 10 0 ADAERN CCCn1nccc1[C@H](O)C1CC1 69023335 572023363 /nfs/dbraw/zinc/02/33/63/572023363.db2.gz QOHJANXLZWZTGB-SNVBAGLBSA-N 0 0 180.251 1.737 10 0 ADAERN Cc1c(F)ccc2c1SC(=O)[C@H]2N 75426267 572023364 /nfs/dbraw/zinc/02/33/64/572023364.db2.gz UJEFDABFZHWJSZ-ZETCQYMHSA-N 0 0 197.234 1.766 10 0 ADAERN CCCn1nccc1[C@@H](O)C(C)C 69023105 572023124 /nfs/dbraw/zinc/02/31/24/572023124.db2.gz KGRKWANDADBXDE-JTQLQIEISA-N 0 0 182.267 1.983 10 0 ADAERN CCCn1nccc1[C@](C)(O)C1CC1 69022632 572023178 /nfs/dbraw/zinc/02/31/78/572023178.db2.gz ARIZSOFRYHEZFR-LLVKDONJSA-N 0 0 194.278 1.911 10 0 ADAERN CCOC(=O)[C@H](CC)c1ccnn1C 69021166 572023206 /nfs/dbraw/zinc/02/32/06/572023206.db2.gz QQWAVQOSPXZVNJ-MRVPVSSYSA-N 0 0 196.250 1.477 10 0 ADAERN CCOC(=O)C(C)(C)c1ccnn1C 69021140 572023210 /nfs/dbraw/zinc/02/32/10/572023210.db2.gz XBPHGWXBWOVLLJ-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN OCc1cncnc1OCCC1CC1 300889462 572023216 /nfs/dbraw/zinc/02/32/16/572023216.db2.gz MIKUPNKECAYQSN-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 ADAERN CCn1cc2cncnc2c1C(C)=O 75467079 572023247 /nfs/dbraw/zinc/02/32/47/572023247.db2.gz FCVMNCMASKLHLV-UHFFFAOYSA-N 0 0 189.218 1.654 10 0 ADAERN CCCC(=O)OC[C@H](OC)C1CC1 393465129 572023290 /nfs/dbraw/zinc/02/32/90/572023290.db2.gz LKFFFBNFFCYLNV-VIFPVBQESA-N 0 0 186.251 1.755 10 0 ADAERN CCCn1nccc1[C@@](C)(O)C1CC1 69022635 572023300 /nfs/dbraw/zinc/02/33/00/572023300.db2.gz ARIZSOFRYHEZFR-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN CCn1nccc1[C@](C)(O)CCOC 69022711 572023304 /nfs/dbraw/zinc/02/33/04/572023304.db2.gz QKAMFXDNGZUSJJ-SNVBAGLBSA-N 0 0 198.266 1.147 10 0 ADAERN CCOc1cccc(NCCCO)n1 82458177 572023307 /nfs/dbraw/zinc/02/33/07/572023307.db2.gz KWPDRDRIQSVHJJ-UHFFFAOYSA-N 0 0 196.250 1.275 10 0 ADAERN CCCC[C@H](O)c1cc(OC)n(C)n1 300889371 572023321 /nfs/dbraw/zinc/02/33/21/572023321.db2.gz BGSFVDDLCQKVNO-VIFPVBQESA-N 0 0 198.266 1.652 10 0 ADAERN CCOC(=O)[C@@H](CC)c1ccnn1C 69021162 572023266 /nfs/dbraw/zinc/02/32/66/572023266.db2.gz QQWAVQOSPXZVNJ-QMMMGPOBSA-N 0 0 196.250 1.477 10 0 ADAERN CC(C)[C@H](O)COc1cccnc1F 300889510 572023274 /nfs/dbraw/zinc/02/32/74/572023274.db2.gz OFWLOZSJCWEQOA-MRVPVSSYSA-N 0 0 199.225 1.616 10 0 ADAERN CCCC[C@@H](O)c1cc(OC)n(C)n1 300889370 572023446 /nfs/dbraw/zinc/02/34/46/572023446.db2.gz BGSFVDDLCQKVNO-SECBINFHSA-N 0 0 198.266 1.652 10 0 ADAERN CC[C@@H]([NH3+])C(=O)Cc1ccco1 82402595 572023451 /nfs/dbraw/zinc/02/34/51/572023451.db2.gz HJMNVYURHJRLBI-MRVPVSSYSA-N 0 0 167.208 1.129 10 0 ADAERN CC(C)CC[C@H](O)[C@H]1CCOC1 82456626 572023461 /nfs/dbraw/zinc/02/34/61/572023461.db2.gz KVSKZXPNPJEYNC-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H]1CN(CC(C)(C)CO)C(=O)[C@@H]1C 687819927 572023487 /nfs/dbraw/zinc/02/34/87/572023487.db2.gz MJGLOLUBCYWROH-RKDXNWHRSA-N 0 0 199.294 1.119 10 0 ADAERN CC(C)[N@H+](C)Cc1occc1C(=O)[O-] 35432942 572023492 /nfs/dbraw/zinc/02/34/92/572023492.db2.gz FSIDYGCAFKDRAB-UHFFFAOYSA-N 0 0 197.234 1.818 10 0 ADAERN CN(CC1CCCCC1)C(N)=S 42494082 572023520 /nfs/dbraw/zinc/02/35/20/572023520.db2.gz JVTCHLNVTNOHEV-UHFFFAOYSA-N 0 0 186.324 1.742 10 0 ADAERN CN(CC(C)(C)C)C(=O)n1ccnc1 82384174 572023541 /nfs/dbraw/zinc/02/35/41/572023541.db2.gz KCMZZVFVYJOVAG-UHFFFAOYSA-N 0 0 195.266 1.829 10 0 ADAERN CCCn1nccc1[C@](C)(O)COC 69022732 572023542 /nfs/dbraw/zinc/02/35/42/572023542.db2.gz JPAVIXXPBJHUOY-SNVBAGLBSA-N 0 0 198.266 1.147 10 0 ADAERN CC[C@@H](C)[C@H](O)c1ccnn1CC 69023277 572023611 /nfs/dbraw/zinc/02/36/11/572023611.db2.gz UGQQKCMVQZAEEH-SCZZXKLOSA-N 0 0 182.267 1.983 10 0 ADAERN CC(C)CC[C@@H](O)c1ccnn1C 69020040 572023640 /nfs/dbraw/zinc/02/36/40/572023640.db2.gz ZQIWTYXEIHWJHB-SNVBAGLBSA-N 0 0 182.267 1.890 10 0 ADAERN CC[C@H]([NH3+])C(=O)c1cccc(OC)c1 82388195 572023641 /nfs/dbraw/zinc/02/36/41/572023641.db2.gz KLHDSEVXVCHSMX-JTQLQIEISA-N 0 0 193.246 1.615 10 0 ADAERN O[C@H]1CCC[C@H]1[C@@H]1CCOC1 82457353 572023657 /nfs/dbraw/zinc/02/36/57/572023657.db2.gz YOCLHRKJQYGODQ-VGMNWLOBSA-N 0 0 156.225 1.184 10 0 ADAERN CC(C)CC[C@@H](O)[C@@H]1CCOC1 82456625 572023674 /nfs/dbraw/zinc/02/36/74/572023674.db2.gz KVSKZXPNPJEYNC-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H](CCC[NH+]1CCC1)C(=O)[O-] 687774504 572023695 /nfs/dbraw/zinc/02/36/95/572023695.db2.gz JXAMHWDOTCEKSI-QMMMGPOBSA-N 0 0 171.240 1.193 10 0 ADAERN CCCCOC(=O)[C@@H](N)C(C)(C)C 35411583 572023706 /nfs/dbraw/zinc/02/37/06/572023706.db2.gz UPAQZJQWINROJI-MRVPVSSYSA-N 0 0 187.283 1.703 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)[C@@H]1CCOC1 82456238 572023713 /nfs/dbraw/zinc/02/37/13/572023713.db2.gz XCPFCLVNUPUITN-OPRDCNLKSA-N 0 0 172.268 1.820 10 0 ADAERN CCCC[C@H]1C(=O)O[C@H](C)[C@@H]1O 14917013 572023726 /nfs/dbraw/zinc/02/37/26/572023726.db2.gz LLALEXXCKCFLES-PRJMDXOYSA-N 0 0 172.224 1.099 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1ccnn1CC 69023285 572023731 /nfs/dbraw/zinc/02/37/31/572023731.db2.gz UGQQKCMVQZAEEH-PSASIEDQSA-N 0 0 182.267 1.983 10 0 ADAERN CCn1nccc1[C@@](C)(O)CCOC 69022715 572024155 /nfs/dbraw/zinc/02/41/55/572024155.db2.gz QKAMFXDNGZUSJJ-JTQLQIEISA-N 0 0 198.266 1.147 10 0 ADAERN CCC[C@H](C)[C@@H](O)c1ccnn1C 69019588 572023833 /nfs/dbraw/zinc/02/38/33/572023833.db2.gz ATNBSLZISJWDFE-WCBMZHEXSA-N 0 0 182.267 1.890 10 0 ADAERN C[C@]12C(=O)NC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1 14919666 572023835 /nfs/dbraw/zinc/02/38/35/572023835.db2.gz PHOUKBDDOYWEMY-XCVPVQRUSA-N 0 0 195.218 1.057 10 0 ADAERN Cc1cc(Cc2ccc(C=O)o2)no1 75424888 572023847 /nfs/dbraw/zinc/02/38/47/572023847.db2.gz BBROGQCWEPJUSN-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CCOc1cccc(NC[C@H](C)O)n1 82458216 572023851 /nfs/dbraw/zinc/02/38/51/572023851.db2.gz NDTKHWSGFOFRBE-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN CCC(C)(C)C[C@H](O)C[NH+]1CCC1 713200337 572023905 /nfs/dbraw/zinc/02/39/05/572023905.db2.gz PEWIGIINIKLVJL-JTQLQIEISA-N 0 0 185.311 1.879 10 0 ADAERN COC(=O)[C@H](c1ccnn1C)C(C)C 69021175 572023908 /nfs/dbraw/zinc/02/39/08/572023908.db2.gz ZABHZQJQQHTWHA-VIFPVBQESA-N 0 0 196.250 1.333 10 0 ADAERN CC(C)[C@@H](O)COc1cccnc1F 300889512 572023927 /nfs/dbraw/zinc/02/39/27/572023927.db2.gz OFWLOZSJCWEQOA-QMMMGPOBSA-N 0 0 199.225 1.616 10 0 ADAERN CCOc1cccc(NC[C@@H](C)O)n1 82458215 572023932 /nfs/dbraw/zinc/02/39/32/572023932.db2.gz NDTKHWSGFOFRBE-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN CCc1[nH]c(SC)cc1N 75489976 572024165 /nfs/dbraw/zinc/02/41/65/572024165.db2.gz LYVPLKFTMYIHEA-UHFFFAOYSA-N 0 0 156.254 1.881 10 0 ADAERN CC[C@H](C)[C@@H](O)c1ccnn1CC 69023287 572023938 /nfs/dbraw/zinc/02/39/38/572023938.db2.gz UGQQKCMVQZAEEH-WCBMZHEXSA-N 0 0 182.267 1.983 10 0 ADAERN Nc1coc(C(=O)c2cscn2)c1 75479763 572023958 /nfs/dbraw/zinc/02/39/58/572023958.db2.gz HPKPRGBNQPBMAX-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN CC[C@H]([NH3+])C(=O)Cc1cccs1 82393803 572024033 /nfs/dbraw/zinc/02/40/33/572024033.db2.gz XSMVRSPWUYKHMT-QMMMGPOBSA-N 0 0 183.276 1.597 10 0 ADAERN CCCn1nccc1[C@@](C)(O)CC 69022603 572024049 /nfs/dbraw/zinc/02/40/49/572024049.db2.gz USUUGDYPSSTTKP-JTQLQIEISA-N 0 0 182.267 1.911 10 0 ADAERN COC(=O)[C@@H](c1ccnn1C)C(C)C 69021181 572024078 /nfs/dbraw/zinc/02/40/78/572024078.db2.gz ZABHZQJQQHTWHA-SECBINFHSA-N 0 0 196.250 1.333 10 0 ADAERN CCC(O)(CC)C[NH2+]Cc1ccoc1 82394816 572024094 /nfs/dbraw/zinc/02/40/94/572024094.db2.gz AJEYDFNRMUAGHF-UHFFFAOYSA-N 0 0 197.278 1.920 10 0 ADAERN C[C@H](CCC[NH+]1CCC1)C(=O)[O-] 687774503 572024115 /nfs/dbraw/zinc/02/41/15/572024115.db2.gz JXAMHWDOTCEKSI-MRVPVSSYSA-N 0 0 171.240 1.193 10 0 ADAERN CC(C)(CO)CCCn1cc[nH]c1=O 393459891 572024130 /nfs/dbraw/zinc/02/41/30/572024130.db2.gz SJQOPABRXVJCCF-UHFFFAOYSA-N 0 0 198.266 1.387 10 0 ADAERN c1nc(CNCc2cscn2)c[nH]1 82394844 572024493 /nfs/dbraw/zinc/02/44/93/572024493.db2.gz ARFCFBUFIYMUAK-UHFFFAOYSA-N 0 0 194.263 1.156 10 0 ADAERN Nc1c[nH]c(C(=O)c2cccs2)c1 75460689 572024239 /nfs/dbraw/zinc/02/42/39/572024239.db2.gz NVQQMTWINVZFFE-UHFFFAOYSA-N 0 0 192.243 1.889 10 0 ADAERN O[C@H]1CCCCC[C@H]1[C@@H]1CCOC1 82457349 572024254 /nfs/dbraw/zinc/02/42/54/572024254.db2.gz SGCSPQGSHIREPP-VWYCJHECSA-N 0 0 184.279 1.964 10 0 ADAERN C/C=C/C[NH2+][C@H](C(=O)[O-])C(C)C 35406874 572024255 /nfs/dbraw/zinc/02/42/55/572024255.db2.gz XPUZYPFZEZCSDA-ZJELKQJVSA-N 0 0 171.240 1.261 10 0 ADAERN CCCCOC(=O)[C@H](N)C(C)(C)C 35411582 572024258 /nfs/dbraw/zinc/02/42/58/572024258.db2.gz UPAQZJQWINROJI-QMMMGPOBSA-N 0 0 187.283 1.703 10 0 ADAERN CC(=O)c1cncn1-c1nc(C)co1 75517721 572024371 /nfs/dbraw/zinc/02/43/71/572024371.db2.gz MADPTEIIURJERF-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN COc1cccnc1[C@@H](NN)C1CC1 234989909 572024398 /nfs/dbraw/zinc/02/43/98/572024398.db2.gz FPCNBQQZOHRMQW-VIFPVBQESA-N 0 0 193.250 1.005 10 0 ADAERN CCCOC(=O)[C@H](N)C(C)(C)C 35411576 572024430 /nfs/dbraw/zinc/02/44/30/572024430.db2.gz CMCWIFZOMOAXCK-ZETCQYMHSA-N 0 0 173.256 1.313 10 0 ADAERN CC(=O)c1cc(-c2conc2C)no1 75405302 572024449 /nfs/dbraw/zinc/02/44/49/572024449.db2.gz WKZMNJCNZOXPKH-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN CC[C@@H](Cc1nccn1C)C(=O)[O-] 82395360 572024451 /nfs/dbraw/zinc/02/44/51/572024451.db2.gz DCYBUOAFSIBRQX-ZETCQYMHSA-N 0 0 182.223 1.073 10 0 ADAERN COCCCNc1cccc(OC)n1 82458184 572024465 /nfs/dbraw/zinc/02/44/65/572024465.db2.gz CGQFBZJCAUNDOL-UHFFFAOYSA-N 0 0 196.250 1.539 10 0 ADAERN CCCC[C@@H]1C(=O)O[C@H](C)[C@@H]1O 14917015 572025732 /nfs/dbraw/zinc/02/57/32/572025732.db2.gz LLALEXXCKCFLES-CSMHCCOUSA-N 0 0 172.224 1.099 10 0 ADAERN CCCOC(=O)CNCC(F)(F)F 82403670 572024784 /nfs/dbraw/zinc/02/47/84/572024784.db2.gz UJXBLFTWFKGNAF-UHFFFAOYSA-N 0 0 199.172 1.092 10 0 ADAERN CCc1nc2scc(C)n2c1N 75395797 572024812 /nfs/dbraw/zinc/02/48/12/572024812.db2.gz FPKJIJHBRVHZSJ-UHFFFAOYSA-N 0 0 181.264 1.849 10 0 ADAERN COC[C@H](C)n1cccc1C=O 35431264 572025743 /nfs/dbraw/zinc/02/57/43/572025743.db2.gz JXDKAHOLVJXWFI-QMMMGPOBSA-N 0 0 167.208 1.508 10 0 ADAERN CCn1nccc1[C@@H](O)CC(C)C 69023511 572024823 /nfs/dbraw/zinc/02/48/23/572024823.db2.gz QRRYOLDVRLBDTF-JTQLQIEISA-N 0 0 182.267 1.983 10 0 ADAERN CC(=O)c1cc(N)sc1N(C)C 75548362 572024851 /nfs/dbraw/zinc/02/48/51/572024851.db2.gz DJHOJHVBNNKIKU-UHFFFAOYSA-N 0 0 184.264 1.599 10 0 ADAERN CC(C)CCSCCOC=O 33607311 572024904 /nfs/dbraw/zinc/02/49/04/572024904.db2.gz NDVUTZCIHBKAPP-UHFFFAOYSA-N 0 0 176.281 1.939 10 0 ADAERN Cc1cncn1-c1cccnc1 14949844 572024914 /nfs/dbraw/zinc/02/49/14/572024914.db2.gz YTNBLXMIWILWOO-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN COc1cccc(SCCO)n1 82458436 572024973 /nfs/dbraw/zinc/02/49/73/572024973.db2.gz IQVVULQLGQFRSX-UHFFFAOYSA-N 0 0 185.248 1.175 10 0 ADAERN CCCC(=O)[C@](C)(CCOC)OC 687775216 572024983 /nfs/dbraw/zinc/02/49/83/572024983.db2.gz NLNUZLNCCLDWLK-JTQLQIEISA-N 0 0 188.267 1.797 10 0 ADAERN COC[C@@H](C)n1cccc1C=O 35431266 572025008 /nfs/dbraw/zinc/02/50/08/572025008.db2.gz JXDKAHOLVJXWFI-MRVPVSSYSA-N 0 0 167.208 1.508 10 0 ADAERN CC(C)C(=O)[C@H]([NH3+])Cc1ccccc1 82389417 572025010 /nfs/dbraw/zinc/02/50/10/572025010.db2.gz RXHBYGUHPWXAKY-LLVKDONJSA-N 0 0 191.274 1.782 10 0 ADAERN CCOc1cccc(N[C@@H](C)CO)n1 82458219 572025023 /nfs/dbraw/zinc/02/50/23/572025023.db2.gz OOANWKWNWRBAMX-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN CCOCCNc1cccc(OC)n1 82458256 572025048 /nfs/dbraw/zinc/02/50/48/572025048.db2.gz XZQXXHJVZGJUIO-UHFFFAOYSA-N 0 0 196.250 1.539 10 0 ADAERN O[C@H]1CCC[C@@H]1[C@@H]1CCOC1 82457352 572025053 /nfs/dbraw/zinc/02/50/53/572025053.db2.gz YOCLHRKJQYGODQ-HLTSFMKQSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@@]([NH3+])(c1ccc(C(=O)[O-])o1)C1CC1 687775118 572025083 /nfs/dbraw/zinc/02/50/83/572025083.db2.gz HWBMCDAXQNOVFD-JTQLQIEISA-N 0 0 195.218 1.562 10 0 ADAERN O[C@H]1CCCC[C@H]1[C@@H]1CCOC1 82457342 572025087 /nfs/dbraw/zinc/02/50/87/572025087.db2.gz MQWDEADNWXQDPQ-UTLUCORTSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1cccc(C(N)=O)c1OC(C)C 33610540 572025095 /nfs/dbraw/zinc/02/50/95/572025095.db2.gz WFLZGFARTOLXKH-UHFFFAOYSA-N 0 0 193.246 1.881 10 0 ADAERN CC[C@@H](CO)Nc1cccc(OC)n1 82458207 572025124 /nfs/dbraw/zinc/02/51/24/572025124.db2.gz BTNWIZLONSKJJO-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN CCCC[C@@H](N)C(=O)OCCC 35411579 572025130 /nfs/dbraw/zinc/02/51/30/572025130.db2.gz AIGOQMOBGLTKPZ-MRVPVSSYSA-N 0 0 173.256 1.457 10 0 ADAERN O[C@H]1CCCC[C@@H]1[C@@H]1CCOC1 82457344 572025131 /nfs/dbraw/zinc/02/51/31/572025131.db2.gz MQWDEADNWXQDPQ-BBBLOLIVSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)OCC(F)(F)F 82403801 572025134 /nfs/dbraw/zinc/02/51/34/572025134.db2.gz NILPDUKPJKRWOQ-UHNVWZDZSA-N 0 0 197.156 1.683 10 0 ADAERN CCN(CC)c1cc(C=O)no1 82402168 572025162 /nfs/dbraw/zinc/02/51/62/572025162.db2.gz QKBMAKDWKZNZAS-UHFFFAOYSA-N 0 0 168.196 1.333 10 0 ADAERN CCCC(=O)[C@H](OC)[C@H]1CCCO1 687775585 572025163 /nfs/dbraw/zinc/02/51/63/572025163.db2.gz PEFOUIRIEVGPOQ-ZJUUUORDSA-N 0 0 186.251 1.550 10 0 ADAERN CCn1nccc1C(=O)CSC 69024312 572025174 /nfs/dbraw/zinc/02/51/74/572025174.db2.gz VYJDLVASNMOTJK-UHFFFAOYSA-N 0 0 184.264 1.449 10 0 ADAERN CC[C@](C)([NH3+])c1occc1C(=O)[O-] 687775276 572025177 /nfs/dbraw/zinc/02/51/77/572025177.db2.gz UDZWKDHUCRHSTM-VIFPVBQESA-N 0 0 183.207 1.562 10 0 ADAERN COC(=O)[C@@H](C)C[C@H](C)CCO 206278665 572025185 /nfs/dbraw/zinc/02/51/85/572025185.db2.gz TXYHYKGJBSHYKT-SFYZADRCSA-N 0 0 174.240 1.204 10 0 ADAERN CCNCC(=O)OCC(CC)CC 300892496 572025190 /nfs/dbraw/zinc/02/51/90/572025190.db2.gz USANRLXIBLDRCH-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN CCOc1cccc(N[C@H](C)CO)n1 82458220 572025205 /nfs/dbraw/zinc/02/52/05/572025205.db2.gz OOANWKWNWRBAMX-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN CCC(=O)[C@@]1(OC)CCCOCC1 687775078 572025219 /nfs/dbraw/zinc/02/52/19/572025219.db2.gz MIXIUQBLYZXWRM-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN CCO[C@H](C[C@@H](CC)OC)OC 33611526 572025245 /nfs/dbraw/zinc/02/52/45/572025245.db2.gz XAPMEYQVHUTUEC-RKDXNWHRSA-N 0 0 176.256 1.811 10 0 ADAERN CC[C@@H]([NH3+])C(=O)Cc1ccccc1 82398217 572025246 /nfs/dbraw/zinc/02/52/46/572025246.db2.gz AQASMJFWVWANEK-SNVBAGLBSA-N 0 0 177.247 1.536 10 0 ADAERN CCc1sccc1S(C)(=O)=O 75480897 572025247 /nfs/dbraw/zinc/02/52/47/572025247.db2.gz LIQXBQINEICPNI-UHFFFAOYSA-N 0 0 190.289 1.714 10 0 ADAERN C/C(=C/C[NH2+][C@@H]1C[C@@H]1C)C(=O)[O-] 235581789 572025260 /nfs/dbraw/zinc/02/52/60/572025260.db2.gz NDZQIYDYYSRSOT-HUBQWXJRSA-N 0 0 169.224 1.015 10 0 ADAERN CC(C)CC[C@@H](O)[C@H]1CCOC1 82456627 572025265 /nfs/dbraw/zinc/02/52/65/572025265.db2.gz KVSKZXPNPJEYNC-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN CO[C@]1(C(C)=O)CS[C@@H](C)C1 687775287 572025276 /nfs/dbraw/zinc/02/52/76/572025276.db2.gz WESHMCKOTBLLBD-XPUUQOCRSA-N 0 0 174.265 1.486 10 0 ADAERN CCCC[C@@H](C)c1nc(N)no1 300893198 572025279 /nfs/dbraw/zinc/02/52/79/572025279.db2.gz HVXHPINNFWXPCW-ZCFIWIBFSA-N 0 0 169.228 1.946 10 0 ADAERN CC(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 82389419 572025301 /nfs/dbraw/zinc/02/53/01/572025301.db2.gz RXHBYGUHPWXAKY-NSHDSACASA-N 0 0 191.274 1.782 10 0 ADAERN CC[C@H]([NH3+])C(=O)Cc1ccccc1 82398216 572025312 /nfs/dbraw/zinc/02/53/12/572025312.db2.gz AQASMJFWVWANEK-JTQLQIEISA-N 0 0 177.247 1.536 10 0 ADAERN CCCC(=O)[C@@H](OC)[C@H]1CCCO1 687775582 572025324 /nfs/dbraw/zinc/02/53/24/572025324.db2.gz PEFOUIRIEVGPOQ-NXEZZACHSA-N 0 0 186.251 1.550 10 0 ADAERN C[C@H](C[NH2+]C[C@@H]1CCC[C@H]1C)C(=O)[O-] 300243147 572025330 /nfs/dbraw/zinc/02/53/30/572025330.db2.gz RQDZJSSKPQDMKE-BBBLOLIVSA-N 0 0 199.294 1.733 10 0 ADAERN CO[C@@]1(C(C)=O)CS[C@@H](C)C1 687775285 572026109 /nfs/dbraw/zinc/02/61/09/572026109.db2.gz WESHMCKOTBLLBD-POYBYMJQSA-N 0 0 174.265 1.486 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N2 33603590 572025357 /nfs/dbraw/zinc/02/53/57/572025357.db2.gz OSAYUIJRYXXRAG-RCOVLWMOSA-N 0 0 153.225 1.311 10 0 ADAERN CCCn1nccc1C(=O)CCOC 69024186 572025378 /nfs/dbraw/zinc/02/53/78/572025378.db2.gz NWBKLHLHQJEFBF-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN CO[C@H](C(C)=O)[C@@H]1CCSC1 687775145 572026112 /nfs/dbraw/zinc/02/61/12/572026112.db2.gz JIQQEALHNMELRX-HTQZYQBOSA-N 0 0 174.265 1.344 10 0 ADAERN CCCn1nccc1[C@@H](O)CC 69023576 572025389 /nfs/dbraw/zinc/02/53/89/572025389.db2.gz LFBMSZCPOADIBT-VIFPVBQESA-N 0 0 168.240 1.737 10 0 ADAERN CCO[C@@H](C(C)=O)[C@@H]1CCCOC1 687775191 572025392 /nfs/dbraw/zinc/02/53/92/572025392.db2.gz XANCHXDHNUZRGC-ZJUUUORDSA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)[C@H](Cc1nccn1C)C(=O)[O-] 82385816 572025399 /nfs/dbraw/zinc/02/53/99/572025399.db2.gz CRKZMNMGAHPYCS-QMMMGPOBSA-N 0 0 196.250 1.319 10 0 ADAERN CC[C@H](C(=O)OC)c1ccnn1CC 69023749 572025445 /nfs/dbraw/zinc/02/54/45/572025445.db2.gz GRKCPHHEUOTAPV-QMMMGPOBSA-N 0 0 196.250 1.570 10 0 ADAERN O[C@H]1CCCCC[C@@H]1[C@@H]1CCOC1 82457348 572025456 /nfs/dbraw/zinc/02/54/56/572025456.db2.gz SGCSPQGSHIREPP-MXWKQRLJSA-N 0 0 184.279 1.964 10 0 ADAERN CCn1nccc1[C@H](C)C(=O)OC 69023829 572025467 /nfs/dbraw/zinc/02/54/67/572025467.db2.gz SARDRKLUDCBJSY-ZETCQYMHSA-N 0 0 182.223 1.180 10 0 ADAERN 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300895713 572028571 /nfs/dbraw/zinc/02/85/71/572028571.db2.gz IENSPUKNIMUTJU-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)C[C@H]1CSc2nncn2N1 219688989 572028587 /nfs/dbraw/zinc/02/85/87/572028587.db2.gz ZUZAPKSCFHDAEB-ZETCQYMHSA-N 0 0 198.295 1.342 10 0 ADAERN COC(=O)[C@@H](c1cnccn1)C(C)C 69048910 572028596 /nfs/dbraw/zinc/02/85/96/572028596.db2.gz XMGLDYAEJRQEGJ-SECBINFHSA-N 0 0 194.234 1.389 10 0 ADAERN Cc1cc(N)c(N2CC[C@H](O)C2)s1 75548686 572028630 /nfs/dbraw/zinc/02/86/30/572028630.db2.gz MZLCNVCMKHXYOI-ZETCQYMHSA-N 0 0 198.291 1.210 10 0 ADAERN Cc1c[nH]nc1-c1cocc1C=O 75525746 572028633 /nfs/dbraw/zinc/02/86/33/572028633.db2.gz DUDQMJIFZNSBKF-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN C[C@H]1[C@@H](C2CCCCC2)OCCN1N 33641996 572028636 /nfs/dbraw/zinc/02/86/36/572028636.db2.gz XRYMHAKRTOECCQ-ONGXEEELSA-N 0 0 198.310 1.530 10 0 ADAERN CCOC(=O)[C@@H](CC)c1cnccn1 69048904 572028654 /nfs/dbraw/zinc/02/86/54/572028654.db2.gz CEUMDZMJBMQUIW-QMMMGPOBSA-N 0 0 194.234 1.533 10 0 ADAERN 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194.263 1.442 10 0 ADAERN C[C@H]1C[C@H]1Nc1ccnc2cnccc12 336632037 572028891 /nfs/dbraw/zinc/02/88/91/572028891.db2.gz KMSNNPTUXUAKRG-GZMMTYOYSA-N 0 0 199.257 1.872 10 0 ADAERN CSCC[C@H](O)c1cnccn1 69049035 572028923 /nfs/dbraw/zinc/02/89/23/572028923.db2.gz QJNIAQIXCHFEEZ-QMMMGPOBSA-N 0 0 184.264 1.263 10 0 ADAERN CC[C@@H](O)[C@H](C)CCCOC 82448362 572028931 /nfs/dbraw/zinc/02/89/31/572028931.db2.gz GRWXQVNSLCAEGR-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CSCC[C@@H](O)c1cnccn1 69049036 572028985 /nfs/dbraw/zinc/02/89/85/572028985.db2.gz QJNIAQIXCHFEEZ-MRVPVSSYSA-N 0 0 184.264 1.263 10 0 ADAERN O=Cc1cocc1-c1ccon1 75525611 572028997 /nfs/dbraw/zinc/02/89/97/572028997.db2.gz LPCAGIOMIIORKZ-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN CCCCOc1noc2c1CNCC2 25966968 572029009 /nfs/dbraw/zinc/02/90/09/572029009.db2.gz NJFGPKPEHHOUSC-UHFFFAOYSA-N 0 0 196.250 1.499 10 0 ADAERN CCC[C@@H](C)[C@@H](O)c1cnccn1 69049048 572029050 /nfs/dbraw/zinc/02/90/50/572029050.db2.gz CEYOVFHIEZBXID-PSASIEDQSA-N 0 0 180.251 1.946 10 0 ADAERN COc1ccc([C@@H]2NCCN2C)cc1 33641692 572029138 /nfs/dbraw/zinc/02/91/38/572029138.db2.gz SWZNZDNZHWKPDE-LLVKDONJSA-N 0 0 192.262 1.229 10 0 ADAERN NC(=O)NC(=O)OC1CCCCC1 33640853 572029179 /nfs/dbraw/zinc/02/91/79/572029179.db2.gz ZQHDZUZMVWOMPU-UHFFFAOYSA-N 0 0 186.211 1.124 10 0 ADAERN C[C@@H]1[C@@H](c2ccccc2)OCCN1N 33642011 572029194 /nfs/dbraw/zinc/02/91/94/572029194.db2.gz URMJFAAZFRUOAL-KOLCDFICSA-N 0 0 192.262 1.322 10 0 ADAERN CC[C@H](O)[C@H](C)Cc1cnn(CC)c1 82448262 572029196 /nfs/dbraw/zinc/02/91/96/572029196.db2.gz HKXPGPGGTIQYTO-KOLCDFICSA-N 0 0 196.294 1.853 10 0 ADAERN C[C@H]1[C@H](c2ccccc2)OCCN1N 33642010 572029206 /nfs/dbraw/zinc/02/92/06/572029206.db2.gz URMJFAAZFRUOAL-GXSJLCMTSA-N 0 0 192.262 1.322 10 0 ADAERN Cc1ccc(OC(N)=O)cc1C 33640947 572029244 /nfs/dbraw/zinc/02/92/44/572029244.db2.gz GOBGXRBYMHQOJI-UHFFFAOYSA-N 0 0 165.192 1.761 10 0 ADAERN CCCC[C@@H](C)[C@@H](O)COC 300895710 572029214 /nfs/dbraw/zinc/02/92/14/572029214.db2.gz IENSPUKNIMUTJU-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@@H]1[C@H](c2ccccc2)OCCN1N 33642009 572029229 /nfs/dbraw/zinc/02/92/29/572029229.db2.gz URMJFAAZFRUOAL-MWLCHTKSSA-N 0 0 192.262 1.322 10 0 ADAERN COC[C@](OC)(C(C)=O)C(C)C 687775512 572029237 /nfs/dbraw/zinc/02/92/37/572029237.db2.gz SNIRFCNSEAEOBA-SECBINFHSA-N 0 0 174.240 1.263 10 0 ADAERN CC[C@H](O)[C@H](C)c1nc(C2CC2)no1 82447575 572029438 /nfs/dbraw/zinc/02/94/38/572029438.db2.gz QKIHSZKDYRUPKY-XPUUQOCRSA-N 0 0 196.250 1.821 10 0 ADAERN CCCc1noc([C@H](C)[C@H](O)CC)n1 82447593 572029461 /nfs/dbraw/zinc/02/94/61/572029461.db2.gz YIUQEYNTPJXXNO-HTQZYQBOSA-N 0 0 198.266 1.897 10 0 ADAERN c1ccn(CCn2ccnc2)c1 42542587 572030603 /nfs/dbraw/zinc/03/06/03/572030603.db2.gz JDIOJDUUYFGWPY-UHFFFAOYSA-N 0 0 161.208 1.385 10 0 ADAERN CCc1noc([C@@H](C)[C@H](O)CC)n1 82447579 572029508 /nfs/dbraw/zinc/02/95/08/572029508.db2.gz HJAKLVSZKPLENS-NKWVEPMBSA-N 0 0 184.239 1.506 10 0 ADAERN CCC(=O)[C@@H](C)c1nc(COC)no1 82447518 572029531 /nfs/dbraw/zinc/02/95/31/572029531.db2.gz RYKZUWACSMHMDR-ZCFIWIBFSA-N 0 0 198.222 1.299 10 0 ADAERN C[C@@H]1C[C@@H](C)N(CC(C)(C)CO)C1=O 687819976 572029541 /nfs/dbraw/zinc/02/95/41/572029541.db2.gz SVQCQKFOFDUJIX-RKDXNWHRSA-N 0 0 199.294 1.262 10 0 ADAERN Cc1cnc2[nH]cc(N)c2c1C 75585503 572029570 /nfs/dbraw/zinc/02/95/70/572029570.db2.gz IPUYTOQZEQAKRK-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN CC(=O)CC(=O)N[C@H](C)c1ccco1 35739437 572029595 /nfs/dbraw/zinc/02/95/95/572029595.db2.gz LWCNIEBVYLBZFM-MRVPVSSYSA-N 0 0 195.218 1.436 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1cnn(C)c1 82448252 572029607 /nfs/dbraw/zinc/02/96/07/572029607.db2.gz IEBQPWNUIDFSCS-WCBMZHEXSA-N 0 0 182.267 1.370 10 0 ADAERN CC[C@H](O)[C@H](C)CCCOC 82448359 572029638 /nfs/dbraw/zinc/02/96/38/572029638.db2.gz GRWXQVNSLCAEGR-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CCn1nnc2sc(C(C)=O)cc21 75589911 572029559 /nfs/dbraw/zinc/02/95/59/572029559.db2.gz MNOSFFVTQUWAQK-UHFFFAOYSA-N 0 0 195.247 1.715 10 0 ADAERN CC[C@@H](O)[C@@H](C)C[C@@H]1CCCO1 82448293 572029654 /nfs/dbraw/zinc/02/96/54/572029654.db2.gz HMTHRJMASPULQC-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CCNC(=S)SC 33650316 572029661 /nfs/dbraw/zinc/02/96/61/572029661.db2.gz PGUWOWZKJZKUGN-UHFFFAOYSA-N 0 0 135.257 1.244 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1cnn(C)c1 82448250 572029691 /nfs/dbraw/zinc/02/96/91/572029691.db2.gz IEBQPWNUIDFSCS-WPRPVWTQSA-N 0 0 182.267 1.370 10 0 ADAERN CCCc1noc([C@@H](C)[C@@H](O)CC)n1 82447595 572029693 /nfs/dbraw/zinc/02/96/93/572029693.db2.gz YIUQEYNTPJXXNO-YUMQZZPRSA-N 0 0 198.266 1.897 10 0 ADAERN CC[C@@H](O)[C@H](C)c1nc(C2CC2)no1 82447577 572029717 /nfs/dbraw/zinc/02/97/17/572029717.db2.gz QKIHSZKDYRUPKY-POYBYMJQSA-N 0 0 196.250 1.821 10 0 ADAERN C[C@H](C[NH2+][C@H](C)c1ccco1)C(N)=O 35739307 572029719 /nfs/dbraw/zinc/02/97/19/572029719.db2.gz UGBBSHKPMXRPJY-HTQZYQBOSA-N 0 0 196.250 1.052 10 0 ADAERN CCC(=O)[C@H](C)c1nc(COC)no1 82447520 572029805 /nfs/dbraw/zinc/02/98/05/572029805.db2.gz RYKZUWACSMHMDR-LURJTMIESA-N 0 0 198.222 1.299 10 0 ADAERN CCn1nncc1[C@H](O)[C@@H](C)C(C)C 300894260 572029811 /nfs/dbraw/zinc/02/98/11/572029811.db2.gz QAVSBAFJTNVALG-WCBMZHEXSA-N 0 0 197.282 1.624 10 0 ADAERN C=CC[C@H](C)[NH2+]CCCC(=O)[O-] 122276161 572029902 /nfs/dbraw/zinc/02/99/02/572029902.db2.gz ZTNLBBWIYVUGDQ-QMMMGPOBSA-N 0 0 171.240 1.405 10 0 ADAERN CCn1nncc1[C@H](O)[C@H](C)C(C)C 300894256 572030396 /nfs/dbraw/zinc/03/03/96/572030396.db2.gz QAVSBAFJTNVALG-PSASIEDQSA-N 0 0 197.282 1.624 10 0 ADAERN CC(=O)c1cc(C)nn1-c1ccon1 75587860 572029991 /nfs/dbraw/zinc/02/99/91/572029991.db2.gz QVBYURMHZNQFIU-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN C[C@H](O)c1ccccc1OCCO 35627128 572030031 /nfs/dbraw/zinc/03/00/31/572030031.db2.gz VYNIRAMXAIBNNU-QMMMGPOBSA-N 0 0 182.219 1.111 10 0 ADAERN CCn1nncc1[C@@H](O)[C@@H](C)C(C)C 300894263 572030064 /nfs/dbraw/zinc/03/00/64/572030064.db2.gz QAVSBAFJTNVALG-WPRPVWTQSA-N 0 0 197.282 1.624 10 0 ADAERN CC[C@@](C)(OC)c1nnc(N)s1 234024852 572030074 /nfs/dbraw/zinc/03/00/74/572030074.db2.gz LKKMRAJSZSIGJF-SSDOTTSWSA-N 0 0 187.268 1.392 10 0 ADAERN Nc1c(-c2cn[nH]c2)cn2ccccc12 75600827 572030086 /nfs/dbraw/zinc/03/00/86/572030086.db2.gz UCKQOQBMWMCTQP-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CC[C@@H](O)[C@H](C)Cc1cnn(C)c1 82448255 572030101 /nfs/dbraw/zinc/03/01/01/572030101.db2.gz IEBQPWNUIDFSCS-PSASIEDQSA-N 0 0 182.267 1.370 10 0 ADAERN CC(=O)c1cc2c(nnn2C(C)C)o1 75590192 572030127 /nfs/dbraw/zinc/03/01/27/572030127.db2.gz ATNQIEFBZJQUEO-UHFFFAOYSA-N 0 0 193.206 1.808 10 0 ADAERN C[NH+](C)C[C@@H]1CNc2occc2N1 75596592 572030151 /nfs/dbraw/zinc/03/01/51/572030151.db2.gz WNHXUFARZJGXHL-ZETCQYMHSA-N 0 0 181.239 1.047 10 0 ADAERN CC1CCN(C(=O)CSO)CC1 526840949 572030159 /nfs/dbraw/zinc/03/01/59/572030159.db2.gz DEIKJZIBGQMRBV-UHFFFAOYSA-N 0 0 188.272 1.324 10 0 ADAERN CCOCC[C@@H](C)[C@H](O)CC 82448035 572030166 /nfs/dbraw/zinc/03/01/66/572030166.db2.gz UOHHSLHGHOXRED-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CCn1nncc1[C@@H](O)[C@H](C)C(C)C 300894258 572030193 /nfs/dbraw/zinc/03/01/93/572030193.db2.gz QAVSBAFJTNVALG-SCZZXKLOSA-N 0 0 197.282 1.624 10 0 ADAERN C[C@H]1C[C@H](C)N(CC(C)(C)CO)C1=O 687819975 572030216 /nfs/dbraw/zinc/03/02/16/572030216.db2.gz SVQCQKFOFDUJIX-IUCAKERBSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@@H](O)[C@H](C)Cc1cnn(CC)c1 82448264 572030223 /nfs/dbraw/zinc/03/02/23/572030223.db2.gz HKXPGPGGTIQYTO-MWLCHTKSSA-N 0 0 196.294 1.853 10 0 ADAERN CCC(=O)[C@@H](C)c1nc(CC)no1 82447488 572030252 /nfs/dbraw/zinc/03/02/52/572030252.db2.gz GWIYFKVQUKTRPR-ZCFIWIBFSA-N 0 0 182.223 1.715 10 0 ADAERN CN1CCOc2occc21 75595625 572030266 /nfs/dbraw/zinc/03/02/66/572030266.db2.gz OLHOXRQDDUTAFO-UHFFFAOYSA-N 0 0 139.154 1.108 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1cnn(CC)c1 82448257 572030271 /nfs/dbraw/zinc/03/02/71/572030271.db2.gz HKXPGPGGTIQYTO-ONGXEEELSA-N 0 0 196.294 1.853 10 0 ADAERN CC[C@H](O)[C@@H](C)C[C@@H]1CCCO1 82448292 572030311 /nfs/dbraw/zinc/03/03/11/572030311.db2.gz HMTHRJMASPULQC-GUBZILKMSA-N 0 0 172.268 1.963 10 0 ADAERN Nc1cncc(NC/C=C\C2CC2)n1 393471861 572030322 /nfs/dbraw/zinc/03/03/22/572030322.db2.gz KNPKKKSZWIWZIE-UPHRSURJSA-N 0 0 190.250 1.437 10 0 ADAERN CN1CCSc2occc21 75596796 572030330 /nfs/dbraw/zinc/03/03/30/572030330.db2.gz GPRZHJLGGWVYCT-UHFFFAOYSA-N 0 0 155.222 1.822 10 0 ADAERN O=C(CSO)NCc1ccccc1 526839767 572030340 /nfs/dbraw/zinc/03/03/40/572030340.db2.gz JQMUJOWUEKVHMH-UHFFFAOYSA-N 0 0 196.251 1.382 10 0 ADAERN CC[C@@H](O)[C@@H](C)c1nc(C2CC2)no1 82447574 572030369 /nfs/dbraw/zinc/03/03/69/572030369.db2.gz QKIHSZKDYRUPKY-HTRCEHHLSA-N 0 0 196.250 1.821 10 0 ADAERN CC[C@@H](O)[C@H](C)C[C@@H]1CCCO1 82448296 572030416 /nfs/dbraw/zinc/03/04/16/572030416.db2.gz HMTHRJMASPULQC-KXUCPTDWSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](O)c1ccc(OCCO)cc1 35626377 572030579 /nfs/dbraw/zinc/03/05/79/572030579.db2.gz NKBCKSOPGMFIJJ-QMMMGPOBSA-N 0 0 182.219 1.111 10 0 ADAERN CC[C@H](O)[C@@H](C)CCCOC 82448356 572030454 /nfs/dbraw/zinc/03/04/54/572030454.db2.gz GRWXQVNSLCAEGR-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN CCCc1nc(N)c(CCC)c(=O)[nH]1 82450873 572030468 /nfs/dbraw/zinc/03/04/68/572030468.db2.gz SOLVJEVTKUTDBJ-UHFFFAOYSA-N 0 0 195.266 1.257 10 0 ADAERN CSCCC[C@H]1COCC[C@@H]1O 235028205 572030525 /nfs/dbraw/zinc/03/05/25/572030525.db2.gz ZHQAEJPNNYDPPL-IUCAKERBSA-N 0 0 190.308 1.527 10 0 ADAERN Nc1cc(N2CCCC2)c(C=O)o1 75550382 572030699 /nfs/dbraw/zinc/03/06/99/572030699.db2.gz MGMZVPUKZKEGSU-UHFFFAOYSA-N 0 0 180.207 1.275 10 0 ADAERN CN1c2c[nH]cc2NC(=O)C1(C)C 75597511 572030631 /nfs/dbraw/zinc/03/06/31/572030631.db2.gz KUJLFUXMODUAQK-UHFFFAOYSA-N 0 0 179.223 1.182 10 0 ADAERN COCCC1=C[C@H](O)CCCC1 687776475 572030657 /nfs/dbraw/zinc/03/06/57/572030657.db2.gz GNRLKZRSPGIQFN-SNVBAGLBSA-N 0 0 170.252 1.884 10 0 ADAERN Cc1sc(N)cc1N(C)C 75548986 572030669 /nfs/dbraw/zinc/03/06/69/572030669.db2.gz LKVJVDIWPGSYBL-UHFFFAOYSA-N 0 0 156.254 1.705 10 0 ADAERN CC[C@H](O)[C@@H](C)c1nc(C2CC2)no1 82447572 572030670 /nfs/dbraw/zinc/03/06/70/572030670.db2.gz QKIHSZKDYRUPKY-SVRRBLITSA-N 0 0 196.250 1.821 10 0 ADAERN CC[C@H](C)OC(=O)[C@@H](C)[S@@](C)=O 526870566 572030705 /nfs/dbraw/zinc/03/07/05/572030705.db2.gz HIWZZIOAXPTVOV-QRPMWFLTSA-N 0 0 192.280 1.095 10 0 ADAERN CC[C@@H](C(=O)OC(C)C)[S@](C)=O 526870555 572030710 /nfs/dbraw/zinc/03/07/10/572030710.db2.gz GWXRWGZBGPEPMB-MADCSZMMSA-N 0 0 192.280 1.095 10 0 ADAERN CCOCC[C@H](C)[C@@H](O)CC 82448031 572030715 /nfs/dbraw/zinc/03/07/15/572030715.db2.gz UOHHSLHGHOXRED-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN CCc1cnccc1[C@H](O)C(F)F 687776111 572030729 /nfs/dbraw/zinc/03/07/29/572030729.db2.gz ARBQRIRWRNRBIC-QMMMGPOBSA-N 0 0 187.189 1.943 10 0 ADAERN CCCc1noc([C@H](C)[C@@H](O)CC)n1 82447596 572030750 /nfs/dbraw/zinc/03/07/50/572030750.db2.gz YIUQEYNTPJXXNO-SFYZADRCSA-N 0 0 198.266 1.897 10 0 ADAERN C[C@H]1C[C@@H](C)N(CC(C)(C)CO)C1=O 687819974 572030821 /nfs/dbraw/zinc/03/08/21/572030821.db2.gz SVQCQKFOFDUJIX-DTWKUNHWSA-N 0 0 199.294 1.262 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QJFSVKPFBASLHV-SFYZADRCSA-N 0 0 187.283 1.874 10 0 ADAERN CC(=O)[C@@](C)(F)Cl 33835846 572036009 /nfs/dbraw/zinc/03/60/09/572036009.db2.gz QNFSEYSCTQOKMK-SCSAIBSYSA-N 0 0 124.542 1.500 10 0 ADAERN CC(=O)O/C=C\Cl 33839611 572036012 /nfs/dbraw/zinc/03/60/12/572036012.db2.gz XYPHEDNABNFRBL-IHWYPQMZSA-N 0 0 120.535 1.260 10 0 ADAERN CC(=O)c1[nH]ccc1Cl 33835501 572036018 /nfs/dbraw/zinc/03/60/18/572036018.db2.gz VZSBHVJMBJHZTI-UHFFFAOYSA-N 0 0 143.573 1.871 10 0 ADAERN CC[C@H](C)[C@@H](C)N1C(=O)C=C(C)C1=O 42556731 572036409 /nfs/dbraw/zinc/03/64/09/572036409.db2.gz ZYOMRTWPONXZLZ-IONNQARKSA-N 0 0 195.262 1.736 10 0 ADAERN OCc1nnc(-c2cccc(F)c2)o1 33823617 572036351 /nfs/dbraw/zinc/03/63/51/572036351.db2.gz ASZZHUJJTZFIFS-UHFFFAOYSA-N 0 0 194.165 1.368 10 0 ADAERN CCNC(=O)c1sccc1[C@@H](C)O 33834792 572036140 /nfs/dbraw/zinc/03/61/40/572036140.db2.gz GMQIEOKYOFQAIA-ZCFIWIBFSA-N 0 0 199.275 1.551 10 0 ADAERN CCC[N@H+](CC)[C@H](C)CC(=O)[O-] 35752543 572036142 /nfs/dbraw/zinc/03/61/42/572036142.db2.gz WTMUIHDPIUFUGM-MRVPVSSYSA-N 0 0 173.256 1.582 10 0 ADAERN CCC[NH+](CCC)C[C@@H](C)C(=O)[O-] 35759330 572036147 /nfs/dbraw/zinc/03/61/47/572036147.db2.gz ASQGGRDHWAPJLI-SECBINFHSA-N 0 0 187.283 1.829 10 0 ADAERN CCCCOC(N)=S 33842112 572036150 /nfs/dbraw/zinc/03/61/50/572036150.db2.gz FDWYBQLKMRRKBF-UHFFFAOYSA-N 0 0 133.216 1.047 10 0 ADAERN CC(C)C[N@H+](C)[C@H](C)CC(=O)[O-] 35752590 572036153 /nfs/dbraw/zinc/03/61/53/572036153.db2.gz KSSKJUNRIAGWSM-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN S=C1N[C@H]2CCCC[C@H]2CO1 33839311 572036402 /nfs/dbraw/zinc/03/64/02/572036402.db2.gz DABKTXPVFNQALI-BQBZGAKWSA-N 0 0 171.265 1.450 10 0 ADAERN CC[C@H](Nc1ncc(N)cn1)C(C)C 42586855 572036188 /nfs/dbraw/zinc/03/61/88/572036188.db2.gz LWGYTQVBYFUOMJ-VIFPVBQESA-N 0 0 194.282 1.905 10 0 ADAERN S=C1N[C@@H]2CCCC[C@H]2CO1 33839310 572036252 /nfs/dbraw/zinc/03/62/52/572036252.db2.gz DABKTXPVFNQALI-NKWVEPMBSA-N 0 0 171.265 1.450 10 0 ADAERN C=C/C=C/[C@@H](C)O 33839716 572036262 /nfs/dbraw/zinc/03/62/62/572036262.db2.gz VAOJQRMYAXTUQI-BMMSZFGTSA-N 0 0 98.145 1.109 10 0 ADAERN CCNC(=O)c1sccc1[C@H](C)O 33834793 572036268 /nfs/dbraw/zinc/03/62/68/572036268.db2.gz GMQIEOKYOFQAIA-LURJTMIESA-N 0 0 199.275 1.551 10 0 ADAERN CC[N@H+](CC(C)C)[C@H](C)CC(=O)[O-] 35752613 572036285 /nfs/dbraw/zinc/03/62/85/572036285.db2.gz BIABCLGDSODKBA-SECBINFHSA-N 0 0 187.283 1.828 10 0 ADAERN CCCC[N@H+](CC)C[C@H](C)C(=O)[O-] 35759386 572036349 /nfs/dbraw/zinc/03/63/49/572036349.db2.gz HVDWDHJULRPPJB-VIFPVBQESA-N 0 0 187.283 1.829 10 0 ADAERN CCC(C)(C)[NH2+]C[C@@H](C)C(=O)[O-] 35757411 572036300 /nfs/dbraw/zinc/03/63/00/572036300.db2.gz FRBCHYUMLQGVBV-SSDOTTSWSA-N 0 0 173.256 1.485 10 0 ADAERN Cc1cccc(C(=O)[O-])c1OCC[NH3+] 82505057 572036301 /nfs/dbraw/zinc/03/63/01/572036301.db2.gz ZGLWLPUZBZUAIQ-UHFFFAOYSA-N 0 0 195.218 1.031 10 0 ADAERN CSCCCn1cnc(C=O)c1 235035233 572036313 /nfs/dbraw/zinc/03/63/13/572036313.db2.gz ZCDGRIOHYHJHKO-UHFFFAOYSA-N 0 0 184.264 1.449 10 0 ADAERN CC1(C)CC[C@@H](O)OC1 33835648 572036314 /nfs/dbraw/zinc/03/63/14/572036314.db2.gz IZLMQBKQLWLSKK-LURJTMIESA-N 0 0 130.187 1.141 10 0 ADAERN CC[C@@H](C)[NH2+]C[C@@H](C)C(=O)[O-] 35757420 572036321 /nfs/dbraw/zinc/03/63/21/572036321.db2.gz WPUUDHCYHMBHAR-RNFRBKRXSA-N 0 0 159.229 1.095 10 0 ADAERN CC(=O)CCOc1ccccc1CO 82505706 572036329 /nfs/dbraw/zinc/03/63/29/572036329.db2.gz IZOPAUGBHDHQGX-UHFFFAOYSA-N 0 0 194.230 1.537 10 0 ADAERN CC(=S)Nc1nccs1 33841347 572036344 /nfs/dbraw/zinc/03/63/44/572036344.db2.gz NDIFKYFVRXJHQB-UHFFFAOYSA-N 0 0 158.251 1.902 10 0 ADAERN CC(C)c1cc2c(c(=O)[nH]1)CCC2 33836223 572036357 /nfs/dbraw/zinc/03/63/57/572036357.db2.gz KIZFNURRZNKMAN-UHFFFAOYSA-N 0 0 177.247 1.987 10 0 ADAERN C[C@H](O)CCC(=O)NCC1(C)CC1 235590231 572036372 /nfs/dbraw/zinc/03/63/72/572036372.db2.gz AGIRBDUACASJGR-QMMMGPOBSA-N 0 0 185.267 1.064 10 0 ADAERN C/C=C/COc1nc(C)ncc1CO 300902156 572036384 /nfs/dbraw/zinc/03/63/84/572036384.db2.gz NUNLHBIPAXDOPH-ONEGZZNKSA-N 0 0 194.234 1.232 10 0 ADAERN COC(=O)[C@H](c1ccccn1)C(C)C 82505905 572036395 /nfs/dbraw/zinc/03/63/95/572036395.db2.gz RWAQRHZLMQXHBJ-JTQLQIEISA-N 0 0 193.246 1.994 10 0 ADAERN C/C=C/[C@H]1C[C@@H]1C(=O)OCC 33842218 572037789 /nfs/dbraw/zinc/03/77/89/572037789.db2.gz TXWMMLLWLONGEU-VKTMEOEOSA-N 0 0 154.209 1.762 10 0 ADAERN CO/C=C/C(=O)Nc1ccccc1 33842566 572038019 /nfs/dbraw/zinc/03/80/19/572038019.db2.gz WGUZZYVRPDOXPC-BQYQJAHWSA-N 0 0 177.203 1.785 10 0 ADAERN C/C=C/C[C@@H](CC)CO 33840689 572038044 /nfs/dbraw/zinc/03/80/44/572038044.db2.gz UYBHMVMLMUZBSU-RYEJSQLPSA-N 0 0 128.215 1.971 10 0 ADAERN CC[C@@H](C)C[N@H+](C)[C@@H](C)CC(=O)[O-] 35752646 572038136 /nfs/dbraw/zinc/03/81/36/572038136.db2.gz VABRTEIKKGLRPT-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN C/C=C/[C@H](C)CO 33839393 572036641 /nfs/dbraw/zinc/03/66/41/572036641.db2.gz ITDXMLZSEZDMFN-YUDCMIJISA-N 0 0 100.161 1.191 10 0 ADAERN CC(C)(C)C(=O)N(CCO)C1CC1 36129936 572036654 /nfs/dbraw/zinc/03/66/54/572036654.db2.gz PUUBWKFBUWHDJE-UHFFFAOYSA-N 0 0 185.267 1.016 10 0 ADAERN CCc1cnn(C[C@@H](C)C(N)=S)c1 402157367 572036678 /nfs/dbraw/zinc/03/66/78/572036678.db2.gz IOUVXVYJOFTMPK-SSDOTTSWSA-N 0 0 197.307 1.368 10 0 ADAERN C[C@H](O)[C@H](C)SCc1cnccn1 235589996 572036700 /nfs/dbraw/zinc/03/67/00/572036700.db2.gz QOVCDESZZPPLEF-YUMQZZPRSA-N 0 0 198.291 1.479 10 0 ADAERN CCCC[N@H+](CC)[C@H](C)CC(=O)[O-] 35751907 572036719 /nfs/dbraw/zinc/03/67/19/572036719.db2.gz HWCSOKWYKWKOPP-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN C[C@H](C[NH2+][C@H](C)c1ccco1)C(=O)[O-] 35759204 572036732 /nfs/dbraw/zinc/03/67/32/572036732.db2.gz VNIVSQLXVQGJOB-HTQZYQBOSA-N 0 0 197.234 1.651 10 0 ADAERN C[C@H]1CCCCC[C@H](O)CC(=O)O1 15122052 572036760 /nfs/dbraw/zinc/03/67/60/572036760.db2.gz FYKUVQXVABYKIC-IUCAKERBSA-N 0 0 186.251 1.633 10 0 ADAERN Cc1nn(C)cc1-c1n[nH]cc1Cl 15937300 572036781 /nfs/dbraw/zinc/03/67/81/572036781.db2.gz UEWYEFXJBWRMRD-UHFFFAOYSA-N 0 0 196.641 1.772 10 0 ADAERN CSC(=S)NC[C@@H](C)C(C)=O 33839577 572036786 /nfs/dbraw/zinc/03/67/86/572036786.db2.gz YIUNPFDKNRKORD-RXMQYKEDSA-N 0 0 191.321 1.449 10 0 ADAERN CC[C@@H](C(=O)OC)c1ccncc1 82505962 572036788 /nfs/dbraw/zinc/03/67/88/572036788.db2.gz QTOQQGYWULNQOM-SECBINFHSA-N 0 0 179.219 1.748 10 0 ADAERN S=C1N[C@H]2CCCC[C@@H]2CO1 33839313 572038219 /nfs/dbraw/zinc/03/82/19/572038219.db2.gz DABKTXPVFNQALI-RQJHMYQMSA-N 0 0 171.265 1.450 10 0 ADAERN C=C/C(C)=C\[C@H](O)[C@@H]1OC1(C)C 15159491 572036819 /nfs/dbraw/zinc/03/68/19/572036819.db2.gz CBSSJRUNXRLTBZ-YYRDVDDBSA-N 0 0 168.236 1.657 10 0 ADAERN Cc1ccc(C(=O)[O-])c(OCC[NH3+])c1 82505076 572036820 /nfs/dbraw/zinc/03/68/20/572036820.db2.gz DMXCTOYAJQJUIN-UHFFFAOYSA-N 0 0 195.218 1.031 10 0 ADAERN CCC[N@H+](C(C)C)[C@@H](C)CC(=O)[O-] 35752553 572036823 /nfs/dbraw/zinc/03/68/23/572036823.db2.gz NGFOWGXILTWEPI-VIFPVBQESA-N 0 0 187.283 1.970 10 0 ADAERN CCn1nncc1[C@H](O)CC1CCC1 300901559 572036835 /nfs/dbraw/zinc/03/68/35/572036835.db2.gz QZITUVZFDXHGOP-SNVBAGLBSA-N 0 0 195.266 1.522 10 0 ADAERN Cn1cc(N)c(OCCCC2CC2)n1 711583633 572036853 /nfs/dbraw/zinc/03/68/53/572036853.db2.gz TUDNEFHVVUKMKO-UHFFFAOYSA-N 0 0 195.266 1.571 10 0 ADAERN N[C@@H](C(F)F)[C@H]1COc2ccccc21 687701324 572036865 /nfs/dbraw/zinc/03/68/65/572036865.db2.gz HLPFJRPJSMGIGZ-IONNQARKSA-N 0 0 199.200 1.755 10 0 ADAERN CC1(C)CC(C)(C)OC(=S)N1 33839482 572036869 /nfs/dbraw/zinc/03/68/69/572036869.db2.gz WRBBPUUIACRGCH-UHFFFAOYSA-N 0 0 173.281 1.838 10 0 ADAERN c1ccc(Cn2nccn2)cc1 33836076 572036881 /nfs/dbraw/zinc/03/68/81/572036881.db2.gz RZHLLJGGWPZWHH-UHFFFAOYSA-N 0 0 159.192 1.326 10 0 ADAERN O=C1C[C@H]2CC=C[C@@H]1C2 33823041 572036911 /nfs/dbraw/zinc/03/69/11/572036911.db2.gz KHPYAABSLMZUQY-NKWVEPMBSA-N 0 0 122.167 1.542 10 0 ADAERN C/C=C/C=C/COCOC 33840595 572036941 /nfs/dbraw/zinc/03/69/41/572036941.db2.gz FQNRDWJPJYVGBI-VNKDHWASSA-N 0 0 142.198 1.739 10 0 ADAERN CCC[N@H+](C)[C@@H](C)CC(=O)[O-] 35752576 572036953 /nfs/dbraw/zinc/03/69/53/572036953.db2.gz NNPYIAGDUHEWDX-ZETCQYMHSA-N 0 0 159.229 1.191 10 0 ADAERN CC(=O)c1ccn(C[C@@H](O)C(C)C)c1 300901883 572036963 /nfs/dbraw/zinc/03/69/63/572036963.db2.gz QFHCVGGRWHYFRI-LLVKDONJSA-N 0 0 195.262 1.708 10 0 ADAERN CCOC(=S)N[C@@H](C)CC 33841937 572036971 /nfs/dbraw/zinc/03/69/71/572036971.db2.gz QSBZJIDDIHLGKY-LURJTMIESA-N 0 0 161.270 1.696 10 0 ADAERN CCC(=O)c1ccc(N)c(O)c1 33824859 572036994 /nfs/dbraw/zinc/03/69/94/572036994.db2.gz XVBIZDAKVTXSRU-UHFFFAOYSA-N 0 0 165.192 1.567 10 0 ADAERN COC(=O)[C@@H](C)Cn1ccnc1C 35756750 572036995 /nfs/dbraw/zinc/03/69/95/572036995.db2.gz LLHFGOMQIFRVFY-ZETCQYMHSA-N 0 0 182.223 1.001 10 0 ADAERN CC(=O)N1O[C@@H]2C=C[C@H]1CCC2 33836176 572037002 /nfs/dbraw/zinc/03/70/02/572037002.db2.gz NHILXPISCAJCJX-BDAKNGLRSA-N 0 0 167.208 1.257 10 0 ADAERN CC[N@@H+](C1CC1)[C@@H](C)CC(=O)[O-] 35752486 572037035 /nfs/dbraw/zinc/03/70/35/572037035.db2.gz KLBCTBDLBHCWJU-ZETCQYMHSA-N 0 0 171.240 1.334 10 0 ADAERN CC(C)C[N@H+](C)[C@@H](C)CC(=O)[O-] 35752588 572037042 /nfs/dbraw/zinc/03/70/42/572037042.db2.gz KSSKJUNRIAGWSM-QMMMGPOBSA-N 0 0 173.256 1.437 10 0 ADAERN N[C@@H](C(F)F)[C@@H]1COc2ccccc21 687701329 572037046 /nfs/dbraw/zinc/03/70/46/572037046.db2.gz HLPFJRPJSMGIGZ-VXNVDRBHSA-N 0 0 199.200 1.755 10 0 ADAERN CN(C)CC(=O)OCc1ccccc1 15119932 572038225 /nfs/dbraw/zinc/03/82/25/572038225.db2.gz ZGKWCFPCDVSLFE-UHFFFAOYSA-N 0 0 193.246 1.291 10 0 ADAERN CCCCC[N@H+](C)[C@@H](C)CC(=O)[O-] 35752634 572037068 /nfs/dbraw/zinc/03/70/68/572037068.db2.gz IZBLLVCXUXQBIA-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN C[C@H](C(=O)N(C)C)n1cc[nH]c1=S 42572146 572037071 /nfs/dbraw/zinc/03/70/71/572037071.db2.gz GYNQWSFLAYJEQO-ZCFIWIBFSA-N 0 0 199.279 1.195 10 0 ADAERN CCCCC[NH2+]C[C@H](C)C(=O)[O-] 35757519 572037081 /nfs/dbraw/zinc/03/70/81/572037081.db2.gz LSIYQMLBZSIAOE-QMMMGPOBSA-N 0 0 173.256 1.487 10 0 ADAERN CC[C@@H](C)[N@H+](C)[C@@H](C)CC(=O)[O-] 35752599 572037087 /nfs/dbraw/zinc/03/70/87/572037087.db2.gz YCPYDYXJRFDUQE-SFYZADRCSA-N 0 0 173.256 1.580 10 0 ADAERN C[C@H](O)[C@H](C)SCc1ncon1 235590977 572037103 /nfs/dbraw/zinc/03/71/03/572037103.db2.gz ISTQPYZCZUAQMC-WDSKDSINSA-N 0 0 188.252 1.072 10 0 ADAERN S=C1N[C@@H]2CCCC[C@@H]2CO1 33839312 572037120 /nfs/dbraw/zinc/03/71/20/572037120.db2.gz DABKTXPVFNQALI-RNFRBKRXSA-N 0 0 171.265 1.450 10 0 ADAERN C/C=C/[C@@H](C)CO 33839392 572037154 /nfs/dbraw/zinc/03/71/54/572037154.db2.gz ITDXMLZSEZDMFN-FCJGRKLLSA-N 0 0 100.161 1.191 10 0 ADAERN C[C@H]([NH2+]C[C@@H](C)C(=O)[O-])c1ccco1 35759199 572037163 /nfs/dbraw/zinc/03/71/63/572037163.db2.gz VNIVSQLXVQGJOB-SFYZADRCSA-N 0 0 197.234 1.651 10 0 ADAERN C[C@H](O)c1cnn(CC(C)(C)C)c1 713201046 572037168 /nfs/dbraw/zinc/03/71/68/572037168.db2.gz SXRRCKFDBOIOIM-QMMMGPOBSA-N 0 0 182.267 1.983 10 0 ADAERN CC(C)[C@]12CC[C@](C)(O1)[C@@H](O)C2 15169382 572037172 /nfs/dbraw/zinc/03/71/72/572037172.db2.gz IFQZADDJTDGGCP-LPEHRKFASA-N 0 0 170.252 1.715 10 0 ADAERN COc1cc(C)c2c(c1)OCO2 33835508 572037294 /nfs/dbraw/zinc/03/72/94/572037294.db2.gz WNYKIWYZYQWKRO-UHFFFAOYSA-N 0 0 166.176 1.732 10 0 ADAERN CC[C@H](O)c1cccc(OC)n1 234032390 572037297 /nfs/dbraw/zinc/03/72/97/572037297.db2.gz WWJXYHQSGPNNOG-QMMMGPOBSA-N 0 0 167.208 1.534 10 0 ADAERN Cc1onc2c1C(=O)NC(C)(C)C2 33836261 572037309 /nfs/dbraw/zinc/03/73/09/572037309.db2.gz ZRQCUGGBZDTZKY-UHFFFAOYSA-N 0 0 180.207 1.048 10 0 ADAERN CCCC[N@H+](CC)[C@@H](C)CC(=O)[O-] 35751906 572037311 /nfs/dbraw/zinc/03/73/11/572037311.db2.gz HWCSOKWYKWKOPP-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN CC(C)N(CC1CC1)C(N)=O 42588781 572037330 /nfs/dbraw/zinc/03/73/30/572037330.db2.gz KAKKTHSLBHYLLM-UHFFFAOYSA-N 0 0 156.229 1.186 10 0 ADAERN CNc1nc(C)nc(C(F)(F)F)n1 33824188 572037342 /nfs/dbraw/zinc/03/73/42/572037342.db2.gz XVTZNHBBYIJBAU-UHFFFAOYSA-N 0 0 192.144 1.241 10 0 ADAERN C[C@H](O)CCC(=O)NCC1(C)CCC1 235590252 572037351 /nfs/dbraw/zinc/03/73/51/572037351.db2.gz ASYMGQHBAZSLTH-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN C/C=C/C[C@H](CC)CO 33840688 572038230 /nfs/dbraw/zinc/03/82/30/572038230.db2.gz UYBHMVMLMUZBSU-WGAJWPLOSA-N 0 0 128.215 1.971 10 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174.159 1.741 10 0 ADAERN C[C@H]1CC/C(=C\c2nc(CN)no2)C1 309113128 572037993 /nfs/dbraw/zinc/03/79/93/572037993.db2.gz KLFYINGENNSXGJ-QAZRXNLGSA-N 0 0 193.250 1.732 10 0 ADAERN C[C@]12C=CC[C@]1(OCCO)OCC2 33835130 572037499 /nfs/dbraw/zinc/03/74/99/572037499.db2.gz GQSTVVYGUVJDOR-NXEZZACHSA-N 0 0 184.235 1.078 10 0 ADAERN CC[N@H+](C(C)C)[C@H](C)CC(=O)[O-] 35752511 572037500 /nfs/dbraw/zinc/03/75/00/572037500.db2.gz HMHNWSPSONURNE-MRVPVSSYSA-N 0 0 173.256 1.580 10 0 ADAERN CCC[N@@H+](C1CC1)[C@H](C)CC(=O)[O-] 35752567 572038238 /nfs/dbraw/zinc/03/82/38/572038238.db2.gz VWQPYRNYAGGTHD-MRVPVSSYSA-N 0 0 185.267 1.724 10 0 ADAERN C=C/C(=C\C)CO 33835114 572037513 /nfs/dbraw/zinc/03/75/13/572037513.db2.gz JFEVNRISRNTADC-GQCTYLIASA-N 0 0 98.145 1.111 10 0 ADAERN C[C@@H](C[NH2+]CC1CCC1)C(=O)[O-] 35758664 572037527 /nfs/dbraw/zinc/03/75/27/572037527.db2.gz VGWMJZICFYFVMG-ZETCQYMHSA-N 0 0 171.240 1.097 10 0 ADAERN CCCCC[N@H+](C)[C@H](C)CC(=O)[O-] 35752637 572037543 /nfs/dbraw/zinc/03/75/43/572037543.db2.gz IZBLLVCXUXQBIA-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN CCCC[N@H+](CC)C[C@@H](C)C(=O)[O-] 35759384 572037554 /nfs/dbraw/zinc/03/75/54/572037554.db2.gz HVDWDHJULRPPJB-SECBINFHSA-N 0 0 187.283 1.829 10 0 ADAERN C[C@@]12C=CC[C@]1(OCCO)OCC2 33835131 572037563 /nfs/dbraw/zinc/03/75/63/572037563.db2.gz GQSTVVYGUVJDOR-VHSXEESVSA-N 0 0 184.235 1.078 10 0 ADAERN CC[N@H+](C(C)C)[C@@H](C)CC(=O)[O-] 35752509 572037567 /nfs/dbraw/zinc/03/75/67/572037567.db2.gz HMHNWSPSONURNE-QMMMGPOBSA-N 0 0 173.256 1.580 10 0 ADAERN C[C@@H]1CC/C(=C\c2nc(CN)no2)C1 309113127 572037575 /nfs/dbraw/zinc/03/75/75/572037575.db2.gz KLFYINGENNSXGJ-KBUNYLKBSA-N 0 0 193.250 1.732 10 0 ADAERN CCOC(=S)N[C@H](C)CC 33841936 572037577 /nfs/dbraw/zinc/03/75/77/572037577.db2.gz QSBZJIDDIHLGKY-ZCFIWIBFSA-N 0 0 161.270 1.696 10 0 ADAERN CN(C)c1cccc2nsnc12 33824607 572037582 /nfs/dbraw/zinc/03/75/82/572037582.db2.gz DQEJCDUHWHWHKJ-UHFFFAOYSA-N 0 0 179.248 1.757 10 0 ADAERN 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ADAERN C[C@H](C[NH2+]CC1CCCC1)C(=O)[O-] 35758729 572037660 /nfs/dbraw/zinc/03/76/60/572037660.db2.gz SZEAHZVBEOTLLR-MRVPVSSYSA-N 0 0 185.267 1.487 10 0 ADAERN CC[C@H](C)CN1CCN[C@@H](CC)C1=O 82477034 572037668 /nfs/dbraw/zinc/03/76/68/572037668.db2.gz JDULRYPNYJHQLY-UWVGGRQHSA-N 0 0 198.310 1.243 10 0 ADAERN CCOC(=S)NCC(C)C 33841911 572037678 /nfs/dbraw/zinc/03/76/78/572037678.db2.gz ULAMWDDQCMTBEH-UHFFFAOYSA-N 0 0 161.270 1.553 10 0 ADAERN Cn1ncnc1-c1cccc(N)c1F 687701376 572037691 /nfs/dbraw/zinc/03/76/91/572037691.db2.gz KPUCQIOOTYTEEI-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN COc1ccc([C@@H](O)CC2CC2)nn1 235037241 572037704 /nfs/dbraw/zinc/03/77/04/572037704.db2.gz YIPYCHKKCKNDSO-VIFPVBQESA-N 0 0 194.234 1.319 10 0 ADAERN CC[C@H](C)[NH2+]C[C@H](C)C(=O)[O-] 35757425 572037709 /nfs/dbraw/zinc/03/77/09/572037709.db2.gz WPUUDHCYHMBHAR-BQBZGAKWSA-N 0 0 159.229 1.095 10 0 ADAERN CCCCCN1CCN[C@H](CC)C1=O 82476975 572037710 /nfs/dbraw/zinc/03/77/10/572037710.db2.gz HZRUKVNBCSINBD-SNVBAGLBSA-N 0 0 198.310 1.387 10 0 ADAERN C/C=C/CCCC(=O)OC 33842004 572037780 /nfs/dbraw/zinc/03/77/80/572037780.db2.gz ARLQDYZAXIPMJQ-ONEGZZNKSA-N 0 0 142.198 1.906 10 0 ADAERN CCOC(CCOC)OCC 82486661 572037782 /nfs/dbraw/zinc/03/77/82/572037782.db2.gz VVLLUKOQSUSCTF-UHFFFAOYSA-N 0 0 162.229 1.422 10 0 ADAERN CC[C@@H](C)[N@H+](CC)[C@@H](C)CC(=O)[O-] 35752623 572037784 /nfs/dbraw/zinc/03/77/84/572037784.db2.gz OVIASTVRMXCHQI-BDAKNGLRSA-N 0 0 187.283 1.970 10 0 ADAERN CC(C)C1=N[C@H](O)C(C)(C)C1 33836163 572037787 /nfs/dbraw/zinc/03/77/87/572037787.db2.gz QMPYKDYBCWMQEL-MRVPVSSYSA-N 0 0 155.241 1.832 10 0 ADAERN C[C@H](O)CCC(=O)NC(C)(C)C1CC1 235589568 572037793 /nfs/dbraw/zinc/03/77/93/572037793.db2.gz SUOXYAXBEVZLJZ-QMMMGPOBSA-N 0 0 199.294 1.452 10 0 ADAERN CCc1ccc2nc(C)cn2n1 35975621 572038248 /nfs/dbraw/zinc/03/82/48/572038248.db2.gz AGJIWOFUHQGLLF-UHFFFAOYSA-N 0 0 161.208 1.600 10 0 ADAERN CCCCOc1cc(N)ncn1 82482455 572038249 /nfs/dbraw/zinc/03/82/49/572038249.db2.gz ONFASRMNEBUMEN-UHFFFAOYSA-N 0 0 167.212 1.238 10 0 ADAERN C[C@H](O)[C@H](C)SCc1ncno1 235590958 572037803 /nfs/dbraw/zinc/03/78/03/572037803.db2.gz IKAXSICNUBBNPF-WDSKDSINSA-N 0 0 188.252 1.072 10 0 ADAERN C=CCCOC(=O)/C=C/C 33841635 572037810 /nfs/dbraw/zinc/03/78/10/572037810.db2.gz RUNPLARVCPUYBD-GQCTYLIASA-N 0 0 140.182 1.682 10 0 ADAERN CC(=O)c1ccn(C[C@H](O)C(C)C)c1 300901885 572037830 /nfs/dbraw/zinc/03/78/30/572037830.db2.gz QFHCVGGRWHYFRI-NSHDSACASA-N 0 0 195.262 1.708 10 0 ADAERN CC[N@H+](CC(C)C)[C@@H](C)CC(=O)[O-] 35752610 572037869 /nfs/dbraw/zinc/03/78/69/572037869.db2.gz BIABCLGDSODKBA-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN C[C@@H]1OC(=S)N[C@H]2CCCC[C@H]21 33839318 572037879 /nfs/dbraw/zinc/03/78/79/572037879.db2.gz VNLPSFLXAWOQBF-FXQIFTODSA-N 0 0 185.292 1.838 10 0 ADAERN CCCC[C@H](CC)COC(=O)CN 35923642 572037881 /nfs/dbraw/zinc/03/78/81/572037881.db2.gz JOCAXHSNGQKZHJ-VIFPVBQESA-N 0 0 187.283 1.705 10 0 ADAERN COCCOCCCn1nccc1C 235036647 572037888 /nfs/dbraw/zinc/03/78/88/572037888.db2.gz JZSRRUHDQXRQHY-UHFFFAOYSA-N 0 0 198.266 1.245 10 0 ADAERN CC[C@H](C(C)C)N1C(=O)C=CC1=O 42590412 572037898 /nfs/dbraw/zinc/03/78/98/572037898.db2.gz PSMKMENGPPALRQ-MRVPVSSYSA-N 0 0 181.235 1.346 10 0 ADAERN C=C/C(C)=C\[C@@H](O)[C@@H]1OC1(C)C 15159490 572037969 /nfs/dbraw/zinc/03/79/69/572037969.db2.gz CBSSJRUNXRLTBZ-WVXMWNJGSA-N 0 0 168.236 1.657 10 0 ADAERN CCc1nc(NC)nc(SC)n1 33827051 572037971 /nfs/dbraw/zinc/03/79/71/572037971.db2.gz AKWPXGXCHRMXIE-UHFFFAOYSA-N 0 0 184.268 1.198 10 0 ADAERN C[C@H](C[NH2+]CC1CCC1)C(=O)[O-] 35758666 572037973 /nfs/dbraw/zinc/03/79/73/572037973.db2.gz VGWMJZICFYFVMG-SSDOTTSWSA-N 0 0 171.240 1.097 10 0 ADAERN S=C1N=NC[C@@H](c2ccccc2)N1 33825890 572037977 /nfs/dbraw/zinc/03/79/77/572037977.db2.gz UNXXYXYLEYDWCB-QMMMGPOBSA-N 0 0 191.259 1.191 10 0 ADAERN C=C/C=C/[C@H](C)O 33839715 572037981 /nfs/dbraw/zinc/03/79/81/572037981.db2.gz VAOJQRMYAXTUQI-OVCGOVNKSA-N 0 0 98.145 1.109 10 0 ADAERN CC(C)(C)CCc1noc(CN)n1 300905284 572037999 /nfs/dbraw/zinc/03/79/99/572037999.db2.gz RHCXKIIPNXFJNL-UHFFFAOYSA-N 0 0 183.255 1.507 10 0 ADAERN O[C@H]1C[C@@H]2CC=C[C@H]1C2 33823046 572038016 /nfs/dbraw/zinc/03/80/16/572038016.db2.gz MHVILVLQCCSHFK-CSMHCCOUSA-N 0 0 124.183 1.333 10 0 ADAERN CC1(C)C(=O)C[C@@H]1OC1CC1 713201830 572038035 /nfs/dbraw/zinc/03/80/35/572038035.db2.gz XZDLIJUIPWVPCZ-QMMMGPOBSA-N 0 0 154.209 1.533 10 0 ADAERN O=C1C[C@@H]2CC=C[C@H]1C2 33823040 572038124 /nfs/dbraw/zinc/03/81/24/572038124.db2.gz KHPYAABSLMZUQY-RQJHMYQMSA-N 0 0 122.167 1.542 10 0 ADAERN COc1cccc(C(C)(C)O)c1O 33822464 572038140 /nfs/dbraw/zinc/03/81/40/572038140.db2.gz HSHQWFGFPFYQEB-UHFFFAOYSA-N 0 0 182.219 1.628 10 0 ADAERN CCc1cc2c(c(=O)[nH]1)CCC2 33836222 572038180 /nfs/dbraw/zinc/03/81/80/572038180.db2.gz MQXWNNGYCYSWQS-UHFFFAOYSA-N 0 0 163.220 1.426 10 0 ADAERN C[C@H](CC(=O)[O-])[N@H+](C)C1CCCC1 35752533 572038183 /nfs/dbraw/zinc/03/81/83/572038183.db2.gz JGAUGCQUSQFFHK-MRVPVSSYSA-N 0 0 185.267 1.724 10 0 ADAERN CCC(C)(C)[NH2+]C[C@H](C)C(=O)[O-] 35757412 572038188 /nfs/dbraw/zinc/03/81/88/572038188.db2.gz FRBCHYUMLQGVBV-ZETCQYMHSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H]1CCCCC[C@@H](O)CC(=O)O1 15122050 572038196 /nfs/dbraw/zinc/03/81/96/572038196.db2.gz FYKUVQXVABYKIC-DTWKUNHWSA-N 0 0 186.251 1.633 10 0 ADAERN CCC(=O)N[C@H]1CCCCC1=O 220984748 572038213 /nfs/dbraw/zinc/03/82/13/572038213.db2.gz SVQHYLSBGAGEOK-ZETCQYMHSA-N 0 0 169.224 1.024 10 0 ADAERN COC(OC)[C@H](C)OC1CC1 713201832 572038298 /nfs/dbraw/zinc/03/82/98/572038298.db2.gz XZMFOZWPWPWJJI-LURJTMIESA-N 0 0 160.213 1.173 10 0 ADAERN CC[C@@H]1NCCN(CCC(C)C)C1=O 82476970 572038314 /nfs/dbraw/zinc/03/83/14/572038314.db2.gz VIGHPSFWDCYKOE-JTQLQIEISA-N 0 0 198.310 1.243 10 0 ADAERN CC[C@H]1CCC=C1CO 15204865 572038353 /nfs/dbraw/zinc/03/83/53/572038353.db2.gz PWPHPRWZLTZIPI-ZETCQYMHSA-N 0 0 126.199 1.725 10 0 ADAERN CC1=C[C@H](O)[C@]2(C(C)C)O[C@@H]2C1 15169554 572038364 /nfs/dbraw/zinc/03/83/64/572038364.db2.gz VQQGPQDRWJKDMS-AEJSXWLSSA-N 0 0 168.236 1.491 10 0 ADAERN CSC[C@H](C)CNC(=O)C(F)F 235033491 572038367 /nfs/dbraw/zinc/03/83/67/572038367.db2.gz BVRPVLSHNQYTIY-RXMQYKEDSA-N 0 0 197.250 1.367 10 0 ADAERN CSCCCn1cnc(CO)c1 235035386 572038385 /nfs/dbraw/zinc/03/83/85/572038385.db2.gz YNSUEJLUPBMPDX-UHFFFAOYSA-N 0 0 186.280 1.129 10 0 ADAERN CCCCCN1CCN[C@@H](CC)C1=O 82476976 572038418 /nfs/dbraw/zinc/03/84/18/572038418.db2.gz HZRUKVNBCSINBD-JTQLQIEISA-N 0 0 198.310 1.387 10 0 ADAERN CC[N@@H+](C1CC1)[C@H](C)CC(=O)[O-] 35752489 572038420 /nfs/dbraw/zinc/03/84/20/572038420.db2.gz KLBCTBDLBHCWJU-SSDOTTSWSA-N 0 0 171.240 1.334 10 0 ADAERN COC(=O)[C@H](C)Cn1ccnc1C 35756748 572038458 /nfs/dbraw/zinc/03/84/58/572038458.db2.gz LLHFGOMQIFRVFY-SSDOTTSWSA-N 0 0 182.223 1.001 10 0 ADAERN CCCCC[NH2+]C[C@@H](C)C(=O)[O-] 35757516 572038466 /nfs/dbraw/zinc/03/84/66/572038466.db2.gz LSIYQMLBZSIAOE-MRVPVSSYSA-N 0 0 173.256 1.487 10 0 ADAERN CCOC(COCC1CC1)OCC 82486330 572038515 /nfs/dbraw/zinc/03/85/15/572038515.db2.gz STMSKQXKPWYQQE-UHFFFAOYSA-N 0 0 188.267 1.812 10 0 ADAERN S=C1NC[C@@H]2CCCC[C@H]2O1 33846202 572038543 /nfs/dbraw/zinc/03/85/43/572038543.db2.gz XIQBQRNKFGUKAI-NKWVEPMBSA-N 0 0 171.265 1.450 10 0 ADAERN CC(C)[C@H]1CC[C@]2(C)O[C@@H]2[C@@H]1O 15169374 572038501 /nfs/dbraw/zinc/03/85/01/572038501.db2.gz DTBNSJOBXSEXAM-KYXWUPHJSA-N 0 0 170.252 1.571 10 0 ADAERN CCC[N@H+](C(C)C)[C@H](C)CC(=O)[O-] 35752556 572038568 /nfs/dbraw/zinc/03/85/68/572038568.db2.gz NGFOWGXILTWEPI-SECBINFHSA-N 0 0 187.283 1.970 10 0 ADAERN S=C1NC[C@H]2CCC[C@H]2O1 33845788 572038597 /nfs/dbraw/zinc/03/85/97/572038597.db2.gz BJPCDOWIXNHVIB-PHDIDXHHSA-N 0 0 157.238 1.060 10 0 ADAERN CC[C@@H]1CO[C@@H](C)C(=S)N1 33858251 572038621 /nfs/dbraw/zinc/03/86/21/572038621.db2.gz FONPVIOTSBSQMC-NTSWFWBYSA-N 0 0 159.254 1.101 10 0 ADAERN CCC[N@H+](C)[C@H](C)CC(=O)[O-] 35752579 572038623 /nfs/dbraw/zinc/03/86/23/572038623.db2.gz NNPYIAGDUHEWDX-SSDOTTSWSA-N 0 0 159.229 1.191 10 0 ADAERN CONC[C@@](C)(O)c1ccccc1 82491757 572038631 /nfs/dbraw/zinc/03/86/31/572038631.db2.gz SHHDFCXKSJQBCH-SNVBAGLBSA-N 0 0 181.235 1.045 10 0 ADAERN CC[C@H](C)C[N@H+](C)[C@@H](C)CC(=O)[O-] 35752649 572038632 /nfs/dbraw/zinc/03/86/32/572038632.db2.gz VABRTEIKKGLRPT-IUCAKERBSA-N 0 0 187.283 1.828 10 0 ADAERN CC[C@@H](C)[NH2+]C[C@H](C)C(=O)[O-] 35757424 572038655 /nfs/dbraw/zinc/03/86/55/572038655.db2.gz WPUUDHCYHMBHAR-NKWVEPMBSA-N 0 0 159.229 1.095 10 0 ADAERN CC[C@@H]1NCCN(C[C@H](C)CC)C1=O 82477036 572038661 /nfs/dbraw/zinc/03/86/61/572038661.db2.gz JDULRYPNYJHQLY-ZJUUUORDSA-N 0 0 198.310 1.243 10 0 ADAERN CCc1cc(CC)on1 165252673 572038662 /nfs/dbraw/zinc/03/86/62/572038662.db2.gz DKYABUUVVXHJJG-UHFFFAOYSA-N 0 0 125.171 1.799 10 0 ADAERN CSCCN(C)C(=O)C(F)F 235036413 572038667 /nfs/dbraw/zinc/03/86/67/572038667.db2.gz XLXPEGJHFFSATM-UHFFFAOYSA-N 0 0 183.223 1.073 10 0 ADAERN CC[C@H](C)CN1CCN[C@H](CC)C1=O 82477033 572039349 /nfs/dbraw/zinc/03/93/49/572039349.db2.gz JDULRYPNYJHQLY-VHSXEESVSA-N 0 0 198.310 1.243 10 0 ADAERN CC(C)C[C@H](C)[C@H]1C[NH2+]C[C@H]1C(=O)[O-] 300902648 572038686 /nfs/dbraw/zinc/03/86/86/572038686.db2.gz LBQROIYXNJIUKX-IVZWLZJFSA-N 0 0 199.294 1.589 10 0 ADAERN C[C@@H]1CCCc2[nH]c(=S)[nH]c(=O)c21 33842923 572038689 /nfs/dbraw/zinc/03/86/89/572038689.db2.gz FOQQIGLNKMMUIF-RXMQYKEDSA-N 0 0 196.275 1.872 10 0 ADAERN O[C@@H]1CC[C@@]2(CCCCO2)OC1 15121624 572038709 /nfs/dbraw/zinc/03/87/09/572038709.db2.gz PSXHJXYOZUWYQY-RKDXNWHRSA-N 0 0 172.224 1.055 10 0 ADAERN CCCC[C@H](C)[C@H](NN)C1=CCCO1 300902638 572038717 /nfs/dbraw/zinc/03/87/17/572038717.db2.gz JBPJRYYXNYRSKR-ONGXEEELSA-N 0 0 198.310 1.949 10 0 ADAERN CCCCCOc1ncncc1CO 300903219 572038736 /nfs/dbraw/zinc/03/87/36/572038736.db2.gz NVKBHXSMRMNWFF-UHFFFAOYSA-N 0 0 196.250 1.538 10 0 ADAERN CC[C@H]1NCCN(CCC(C)C)C1=O 82476969 572038792 /nfs/dbraw/zinc/03/87/92/572038792.db2.gz VIGHPSFWDCYKOE-SNVBAGLBSA-N 0 0 198.310 1.243 10 0 ADAERN CNc1ccc(-c2ncnn2C)cc1 687701422 572038794 /nfs/dbraw/zinc/03/87/94/572038794.db2.gz LQJJMZIFXLWGDB-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN S=C1NC[C@H]2CCCC[C@H]2O1 33846204 572038819 /nfs/dbraw/zinc/03/88/19/572038819.db2.gz XIQBQRNKFGUKAI-RNFRBKRXSA-N 0 0 171.265 1.450 10 0 ADAERN CC[C@H]1OC(=O)c2c(O)ccc(O)c21 15205014 572038879 /nfs/dbraw/zinc/03/88/79/572038879.db2.gz QJSBDHNFEOLVCI-SSDOTTSWSA-N 0 0 194.186 1.719 10 0 ADAERN CC[C@]1(OC)C(=O)Nc2ccccc21 15204883 572038910 /nfs/dbraw/zinc/03/89/10/572038910.db2.gz ICBZGIGZAFEKFH-LLVKDONJSA-N 0 0 191.230 1.890 10 0 ADAERN CC(C)[C@H](C(N)=O)c1ccsc1 33867492 572039363 /nfs/dbraw/zinc/03/93/63/572039363.db2.gz NUQLOYWTPKFBFT-QMMMGPOBSA-N 0 0 183.276 1.973 10 0 ADAERN C[C@@H](C[NH2+]CC1CCCC1)C(=O)[O-] 35758725 572038925 /nfs/dbraw/zinc/03/89/25/572038925.db2.gz SZEAHZVBEOTLLR-QMMMGPOBSA-N 0 0 185.267 1.487 10 0 ADAERN COC(=O)C[C@H]1CCC[C@H](C)O1 35784187 572038931 /nfs/dbraw/zinc/03/89/31/572038931.db2.gz MTOWUBNDZFQOBJ-JGVFFNPUSA-N 0 0 172.224 1.507 10 0 ADAERN O=CN1c2ccccc2C(=O)C12CC2 33852848 572038937 /nfs/dbraw/zinc/03/89/37/572038937.db2.gz LYGPYMPCPHMGPE-UHFFFAOYSA-N 0 0 187.198 1.378 10 0 ADAERN CN1CCO[C@H]1c1ccc(F)cc1 33856829 572038950 /nfs/dbraw/zinc/03/89/50/572038950.db2.gz HHTZQKCQLDEVBO-JTQLQIEISA-N 0 0 181.210 1.786 10 0 ADAERN Cc1cc([C@H](CC(C)C)NN)nn1C 300903215 572038958 /nfs/dbraw/zinc/03/89/58/572038958.db2.gz NVIPCSFMLMPYAV-VIFPVBQESA-N 0 0 196.298 1.279 10 0 ADAERN S=C1NC[C@@H]2CCC[C@H]2O1 33845789 572039369 /nfs/dbraw/zinc/03/93/69/572039369.db2.gz BJPCDOWIXNHVIB-NTSWFWBYSA-N 0 0 157.238 1.060 10 0 ADAERN S=c1[nH]cnn1-c1ccccc1 33842917 572039003 /nfs/dbraw/zinc/03/90/03/572039003.db2.gz BVIRJZRMLOIHQT-UHFFFAOYSA-N 0 0 177.232 1.930 10 0 ADAERN CCCCOc1cc(N)nc(CC)n1 82483362 572039019 /nfs/dbraw/zinc/03/90/19/572039019.db2.gz KPSHRXDVOOQJKX-UHFFFAOYSA-N 0 0 195.266 1.800 10 0 ADAERN CC[C@]1(C)N=CCS1 33854976 572039047 /nfs/dbraw/zinc/03/90/47/572039047.db2.gz GYDDHJYQHOKHFP-ZCFIWIBFSA-N 0 0 129.228 1.930 10 0 ADAERN CCOC(COC1CCC1)OCC 82486358 572039060 /nfs/dbraw/zinc/03/90/60/572039060.db2.gz HLJKPLOABQYLER-UHFFFAOYSA-N 0 0 188.267 1.955 10 0 ADAERN C[C@@H]1CCCc2c1[nH]c(=S)[nH]c2=O 33846857 572039108 /nfs/dbraw/zinc/03/91/08/572039108.db2.gz DGWMNBFEJUEUFA-RXMQYKEDSA-N 0 0 196.275 1.872 10 0 ADAERN C[C@@H]1CCc2c([nH]c(=S)[nH]c2=O)C1 33846853 572039143 /nfs/dbraw/zinc/03/91/43/572039143.db2.gz KAJADHVQAJGNJB-RXMQYKEDSA-N 0 0 196.275 1.557 10 0 ADAERN CONC[C@](C)(O)c1ccccc1 82491758 572039154 /nfs/dbraw/zinc/03/91/54/572039154.db2.gz SHHDFCXKSJQBCH-JTQLQIEISA-N 0 0 181.235 1.045 10 0 ADAERN CCOC(CF)OCC 15217131 572039225 /nfs/dbraw/zinc/03/92/25/572039225.db2.gz MTOKMFPJQWGFRU-UHFFFAOYSA-N 0 0 136.166 1.355 10 0 ADAERN COC(=O)/C(Br)=C\Cl 33846165 572039246 /nfs/dbraw/zinc/03/92/46/572039246.db2.gz JLNOVRAIEKXGJJ-NSCUHMNNSA-N 0 0 199.431 1.635 10 0 ADAERN CCCCNc1ncnc(OC)c1N 82488149 572039251 /nfs/dbraw/zinc/03/92/51/572039251.db2.gz BYECSIZALKHXKA-UHFFFAOYSA-N 0 0 196.254 1.279 10 0 ADAERN CCOC(CSCCO)OCC 82486369 572039266 /nfs/dbraw/zinc/03/92/66/572039266.db2.gz YLDLIVSGHUSGER-UHFFFAOYSA-N 0 0 194.296 1.111 10 0 ADAERN CC(C)SC(C)(C)C(N)=O 33852636 572039380 /nfs/dbraw/zinc/03/93/80/572039380.db2.gz PHUDGXZCRYIJCH-UHFFFAOYSA-N 0 0 161.270 1.392 10 0 ADAERN Cc1cccc([C@@H]2OCCN2C)c1 33856851 572039329 /nfs/dbraw/zinc/03/93/29/572039329.db2.gz VTPSLACKECFKOC-NSHDSACASA-N 0 0 177.247 1.956 10 0 ADAERN CCCC[C@H](C)[C@H](O)c1cnnn1C 300902807 572039497 /nfs/dbraw/zinc/03/94/97/572039497.db2.gz JCVCWCOLEOYBDK-WPRPVWTQSA-N 0 0 197.282 1.675 10 0 ADAERN C/C=C/c1nccnc1C 33844381 572039566 /nfs/dbraw/zinc/03/95/66/572039566.db2.gz ZCGRXTTWRNXLQZ-ONEGZZNKSA-N 0 0 134.182 1.818 10 0 endogenous,in-man ADAERN CC[C@H]1CCC[N@@H+]([C@@H](C)CC(=O)[O-])C1 36169977 572039713 /nfs/dbraw/zinc/03/97/13/572039713.db2.gz RDHJUVTVDVWMOD-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN NC(=O)CCOCC1CCCCCC1 300906937 572039723 /nfs/dbraw/zinc/03/97/23/572039723.db2.gz RBOIVXAZTYODQK-UHFFFAOYSA-N 0 0 199.294 1.849 10 0 ADAERN CCC(CC)COc1cc(=O)[nH]cn1 300908292 572039741 /nfs/dbraw/zinc/03/97/41/572039741.db2.gz XKHUADPXOJVDKA-UHFFFAOYSA-N 0 0 196.250 1.997 10 0 ADAERN CC[C@@H](C(N)=O)c1ccsc1 33867506 572039762 /nfs/dbraw/zinc/03/97/62/572039762.db2.gz HPMAYLPTWNTYLC-SSDOTTSWSA-N 0 0 169.249 1.727 10 0 ADAERN CCCCOc1cc(NC)ncn1 82482399 572039770 /nfs/dbraw/zinc/03/97/70/572039770.db2.gz AZYWTTLRSFCZFM-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN CCCCNC(=S)OCC 33845900 572039982 /nfs/dbraw/zinc/03/99/82/572039982.db2.gz OHLQPYLQCZVHJP-UHFFFAOYSA-N 0 0 161.270 1.698 10 0 ADAERN C[NH2+]CCCCCCC(=O)[O-] 60089810 572040013 /nfs/dbraw/zinc/04/00/13/572040013.db2.gz KBMWCYLQINPRTE-UHFFFAOYSA-N 0 0 159.229 1.241 10 0 ADAERN Cc1ccccc1[C@H]1OCCN1C 33856853 572040297 /nfs/dbraw/zinc/04/02/97/572040297.db2.gz HOLRMCUEVLMWIO-LLVKDONJSA-N 0 0 177.247 1.956 10 0 ADAERN CCONCC1(O)CCCCC1 82491762 572040035 /nfs/dbraw/zinc/04/00/35/572040035.db2.gz UVVKTDXCUALAMW-UHFFFAOYSA-N 0 0 173.256 1.223 10 0 ADAERN CNC(=O)C(C)(C)SC(C)C 33856454 572040036 /nfs/dbraw/zinc/04/00/36/572040036.db2.gz JDBIXTLOURSWDQ-UHFFFAOYSA-N 0 0 175.297 1.653 10 0 ADAERN CCC(C)(C)C[C@H](O)C(C)(C)O 713201374 572040039 /nfs/dbraw/zinc/04/00/39/572040039.db2.gz VTBLIJIFAGUDBM-QMMMGPOBSA-N 0 0 174.284 1.945 10 0 ADAERN S=C1NC[C@@H]2CCCC[C@@H]2O1 33846203 572040042 /nfs/dbraw/zinc/04/00/42/572040042.db2.gz XIQBQRNKFGUKAI-BQBZGAKWSA-N 0 0 171.265 1.450 10 0 ADAERN S=C1NC[C@@H]2CCC[C@@H]2O1 33845791 572040055 /nfs/dbraw/zinc/04/00/55/572040055.db2.gz BJPCDOWIXNHVIB-WDSKDSINSA-N 0 0 157.238 1.060 10 0 ADAERN C[C@H](O)CCC(=O)NC[C@H]1CC1(C)C 235592447 572040099 /nfs/dbraw/zinc/04/00/99/572040099.db2.gz GKZQZAGCRDEXSE-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN CC[C@@]1(C)N=CCS1 33854978 572040104 /nfs/dbraw/zinc/04/01/04/572040104.db2.gz GYDDHJYQHOKHFP-LURJTMIESA-N 0 0 129.228 1.930 10 0 ADAERN C[C@H]1CCc2c([nH]c(=S)[nH]c2=O)C1 33846854 572040304 /nfs/dbraw/zinc/04/03/04/572040304.db2.gz KAJADHVQAJGNJB-YFKPBYRVSA-N 0 0 196.275 1.557 10 0 ADAERN CCCC[C@@H](C)[C@H](O)c1cnnn1C 300902802 572040226 /nfs/dbraw/zinc/04/02/26/572040226.db2.gz JCVCWCOLEOYBDK-SCZZXKLOSA-N 0 0 197.282 1.675 10 0 ADAERN CCCC[C@@H](C)[C@@H](O)c1cnnn1C 300902799 572040236 /nfs/dbraw/zinc/04/02/36/572040236.db2.gz JCVCWCOLEOYBDK-PSASIEDQSA-N 0 0 197.282 1.675 10 0 ADAERN Cc1ncsc1CCNN(C)C 214826112 572040247 /nfs/dbraw/zinc/04/02/47/572040247.db2.gz OAIXPZIHTHSJOH-UHFFFAOYSA-N 0 0 185.296 1.060 10 0 ADAERN C/C=C/COCC(OCC)OCC 82486359 572040249 /nfs/dbraw/zinc/04/02/49/572040249.db2.gz YWVKTTMMGCGLSW-QPJJXVBHSA-N 0 0 188.267 1.978 10 0 ADAERN C[C@@H]1C[C@H](O)Cc2cc(O)cc(O)c21 15215475 572040257 /nfs/dbraw/zinc/04/02/57/572040257.db2.gz WEHCLKPVYGSJHR-SVRRBLITSA-N 0 0 194.230 1.508 10 0 ADAERN CC[C@H](C(N)=O)c1ccsc1 33867505 572040258 /nfs/dbraw/zinc/04/02/58/572040258.db2.gz HPMAYLPTWNTYLC-ZETCQYMHSA-N 0 0 169.249 1.727 10 0 ADAERN CCCSC(C)(C)C(N)=O 33856459 572040320 /nfs/dbraw/zinc/04/03/20/572040320.db2.gz CYDRCNBKVCOUBU-UHFFFAOYSA-N 0 0 161.270 1.394 10 0 ADAERN CC[C@H]1CO[C@H](C)C(=S)N1 33858250 572040323 /nfs/dbraw/zinc/04/03/23/572040323.db2.gz FONPVIOTSBSQMC-RITPCOANSA-N 0 0 159.254 1.101 10 0 ADAERN C[C@H](O)CCC(=O)NC[C@@H]1CC1(C)C 235591978 572040326 /nfs/dbraw/zinc/04/03/26/572040326.db2.gz GKZQZAGCRDEXSE-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN Cc1coc2c1C(=O)[C@H](O)[C@@H](C)C2 15211864 572040335 /nfs/dbraw/zinc/04/03/35/572040335.db2.gz VQJPIDCZXISJKM-SSDLBLMSSA-N 0 0 180.203 1.324 10 0 ADAERN COC(=O)/C(Cl)=C/Br 33844379 572040336 /nfs/dbraw/zinc/04/03/36/572040336.db2.gz HWUQVZUGMPCROF-IHWYPQMZSA-N 0 0 199.431 1.635 10 0 ADAERN S=C1NC[C@H]2CCCC[C@@H]2O1 33846205 572040354 /nfs/dbraw/zinc/04/03/54/572040354.db2.gz XIQBQRNKFGUKAI-RQJHMYQMSA-N 0 0 171.265 1.450 10 0 ADAERN C[C@@H]1NC(=S)O[C@H]2CCCC[C@@H]12 33846557 572040374 /nfs/dbraw/zinc/04/03/74/572040374.db2.gz KKEHHKQFEUCHEE-FXQIFTODSA-N 0 0 185.292 1.838 10 0 ADAERN CC[C@H]1CO[C@@H](C)C(=S)N1 33858252 572040388 /nfs/dbraw/zinc/04/03/88/572040388.db2.gz FONPVIOTSBSQMC-WDSKDSINSA-N 0 0 159.254 1.101 10 0 ADAERN COc1cccnc1[C@H](C)C[C@@H](C)O 235050696 572040400 /nfs/dbraw/zinc/04/04/00/572040400.db2.gz HUUGRNRENKKOHW-RKDXNWHRSA-N 0 0 195.262 1.965 10 0 ADAERN CCONC[C@@](C)(O)c1ccccc1 82491769 572040402 /nfs/dbraw/zinc/04/04/02/572040402.db2.gz CAWCJUOPEVHCMN-LLVKDONJSA-N 0 0 195.262 1.435 10 0 ADAERN CC(=O)C1(C[C@@H](O)C(C)C)CC1 300903703 572040412 /nfs/dbraw/zinc/04/04/12/572040412.db2.gz QPEVFNDHLYYCBU-SECBINFHSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)[C@@H](C(N)=O)c1ccsc1 33867493 572040482 /nfs/dbraw/zinc/04/04/82/572040482.db2.gz NUQLOYWTPKFBFT-MRVPVSSYSA-N 0 0 183.276 1.973 10 0 ADAERN CC(=O)C1(C[C@H](O)C(C)C)CC1 300903706 572040500 /nfs/dbraw/zinc/04/05/00/572040500.db2.gz QPEVFNDHLYYCBU-VIFPVBQESA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H]1C[C@]2(CCO1)CCC(=O)O2 235592129 572040527 /nfs/dbraw/zinc/04/05/27/572040527.db2.gz QOOLYULIKSJYQG-IONNQARKSA-N 0 0 170.208 1.261 10 0 ADAERN CCCC[C@H](C)[C@@H](NN)C1=CCCO1 300902628 572040539 /nfs/dbraw/zinc/04/05/39/572040539.db2.gz JBPJRYYXNYRSKR-GXSJLCMTSA-N 0 0 198.310 1.949 10 0 ADAERN Oc1ccccc1-c1ccncn1 33846234 572040549 /nfs/dbraw/zinc/04/05/49/572040549.db2.gz UDUWYJGSUFJJLJ-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN Cc1cc([C@@H](CC(C)C)NN)nn1C 300903213 572040571 /nfs/dbraw/zinc/04/05/71/572040571.db2.gz NVIPCSFMLMPYAV-SECBINFHSA-N 0 0 196.298 1.279 10 0 ADAERN CC[C@H](C)N1C(=O)C(C)(C)[NH2+]C[C@H]1C 219705369 572040578 /nfs/dbraw/zinc/04/05/78/572040578.db2.gz IAGZTDOUQVGFIE-DTWKUNHWSA-N 0 0 198.310 1.384 10 0 ADAERN CC[C@@H](C)CN1CCN[C@H](CC)C1=O 82477035 572040623 /nfs/dbraw/zinc/04/06/23/572040623.db2.gz JDULRYPNYJHQLY-NXEZZACHSA-N 0 0 198.310 1.243 10 0 ADAERN CC1(C)CCC(=S)N1 33844231 572040645 /nfs/dbraw/zinc/04/06/45/572040645.db2.gz IHBKZVJQEADUEG-UHFFFAOYSA-N 0 0 129.228 1.476 10 0 ADAERN CC[C@@H]1CO[C@H](C)C(=S)N1 33858249 572040647 /nfs/dbraw/zinc/04/06/47/572040647.db2.gz FONPVIOTSBSQMC-PHDIDXHHSA-N 0 0 159.254 1.101 10 0 ADAERN CN1c2ccccc2C(=O)C12CC2 33852849 572040651 /nfs/dbraw/zinc/04/06/51/572040651.db2.gz LSFCXBLZHPRPCP-UHFFFAOYSA-N 0 0 173.215 1.852 10 0 ADAERN CCC(C)(C)C[C@@H](O)C(C)(C)O 713201361 572040661 /nfs/dbraw/zinc/04/06/61/572040661.db2.gz VTBLIJIFAGUDBM-MRVPVSSYSA-N 0 0 174.284 1.945 10 0 ADAERN CC[C@H]1CCC[N@H+](C[C@@H](C)C(=O)[O-])C1 36169995 572040667 /nfs/dbraw/zinc/04/06/67/572040667.db2.gz SCHPODDQFSYFSU-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1nc2nc(C)c(C)nc2c(=O)[nH]1 33845523 572040678 /nfs/dbraw/zinc/04/06/78/572040678.db2.gz BNTNTONHMSSNRJ-UHFFFAOYSA-N 0 0 190.206 1.051 10 0 ADAERN CC(C)C[C@H](C)[C@@H]1C[NH2+]C[C@@H]1C(=O)[O-] 300902645 572040691 /nfs/dbraw/zinc/04/06/91/572040691.db2.gz LBQROIYXNJIUKX-GUBZILKMSA-N 0 0 199.294 1.589 10 0 ADAERN CC1(C)N=CCS1 33854911 572040697 /nfs/dbraw/zinc/04/06/97/572040697.db2.gz PHNGUPTZRBWMMJ-UHFFFAOYSA-N 0 0 115.201 1.540 10 0 ADAERN S=C1NC[C@H]2CCC[C@@H]2O1 33845790 572040704 /nfs/dbraw/zinc/04/07/04/572040704.db2.gz BJPCDOWIXNHVIB-RITPCOANSA-N 0 0 157.238 1.060 10 0 ADAERN CC[C@@H]1CCC[N@H+](C[C@@H](C)C(=O)[O-])C1 36169994 572040711 /nfs/dbraw/zinc/04/07/11/572040711.db2.gz SCHPODDQFSYFSU-NXEZZACHSA-N 0 0 199.294 1.829 10 0 ADAERN CCn1ccc(NCCSC)n1 300906241 572040817 /nfs/dbraw/zinc/04/08/17/572040817.db2.gz QZJKWZGPSDKRTJ-UHFFFAOYSA-N 0 0 185.296 1.678 10 0 ADAERN C/C=C/CCNC(=O)C(C)(F)F 300906226 572040743 /nfs/dbraw/zinc/04/07/43/572040743.db2.gz QYXFEDMVVUTTRN-ONEGZZNKSA-N 0 0 177.194 1.724 10 0 ADAERN CC[NH2+][C@@H](CCOC)c1cn[nH]c1 687701837 572041404 /nfs/dbraw/zinc/04/14/04/572041404.db2.gz RQTYCEFRISMYGF-VIFPVBQESA-N 0 0 183.255 1.097 10 0 ADAERN Cc1nc2cccc(C)n2c(=O)c1C 33865394 572040798 /nfs/dbraw/zinc/04/07/98/572040798.db2.gz PTLAJSCPOPLPHI-UHFFFAOYSA-N 0 0 188.230 1.620 10 0 ADAERN CCONC[C@](C)(O)c1ccccc1 82491767 572040874 /nfs/dbraw/zinc/04/08/74/572040874.db2.gz CAWCJUOPEVHCMN-NSHDSACASA-N 0 0 195.262 1.435 10 0 ADAERN O=[N+]([O-])c1cc(Cl)nc2[nH]cnc12 33846891 572040879 /nfs/dbraw/zinc/04/08/79/572040879.db2.gz IWQHZTCGVPZMSR-UHFFFAOYSA-N 0 0 198.569 1.520 10 0 ADAERN CCC/C(C)=C/C(=O)OC 33844090 572040891 /nfs/dbraw/zinc/04/08/91/572040891.db2.gz FTNNIIIFSINEIF-VOTSOKGWSA-N 0 0 142.198 1.906 10 0 ADAERN CCNC(=S)c1ccco1 33845741 572040908 /nfs/dbraw/zinc/04/09/08/572040908.db2.gz XPTNZMSTYGISRQ-UHFFFAOYSA-N 0 0 155.222 1.565 10 0 ADAERN CCCC[C@@H](C)[C@H](NN)C1=CCCO1 300902631 572040948 /nfs/dbraw/zinc/04/09/48/572040948.db2.gz JBPJRYYXNYRSKR-KOLCDFICSA-N 0 0 198.310 1.949 10 0 ADAERN CCCN(C)C(=O)c1c(C)n[nH]c1C 36167075 572041071 /nfs/dbraw/zinc/04/10/71/572041071.db2.gz KUSRLIVNGIHMDL-UHFFFAOYSA-N 0 0 195.266 1.509 10 0 ADAERN Cc1coc2c1C(=O)[C@@H](O)[C@H](C)C2 15211869 572041096 /nfs/dbraw/zinc/04/10/96/572041096.db2.gz VQJPIDCZXISJKM-ANLVUFKYSA-N 0 0 180.203 1.324 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1cnnn1CC 300911026 572041189 /nfs/dbraw/zinc/04/11/89/572041189.db2.gz SAXSGMDMKYXCQO-SCZZXKLOSA-N 0 0 197.282 1.768 10 0 ADAERN CSCCCNc1cc(C)cnn1 235040648 572041240 /nfs/dbraw/zinc/04/12/40/572041240.db2.gz YFKSFGSOSASBIC-UHFFFAOYSA-N 0 0 197.307 1.950 10 0 ADAERN CSCCC[C@@H](CCO)C(C)=O 235052887 572041266 /nfs/dbraw/zinc/04/12/66/572041266.db2.gz RPWSIDJGJQCFEA-VIFPVBQESA-N 0 0 190.308 1.717 10 0 ADAERN CC[C@H](C)C[C@H](O)c1cnnn1CC 300911031 572041273 /nfs/dbraw/zinc/04/12/73/572041273.db2.gz SAXSGMDMKYXCQO-WPRPVWTQSA-N 0 0 197.282 1.768 10 0 ADAERN O=C(CC[C@H]1CCOC1)[C@@H](O)C1CC1 400872806 572041304 /nfs/dbraw/zinc/04/13/04/572041304.db2.gz IXHZNSMCKUGGMQ-KWQFWETISA-N 0 0 198.262 1.143 10 0 ADAERN CSCCCNc1nc(C)no1 235043694 572041400 /nfs/dbraw/zinc/04/14/00/572041400.db2.gz QPJBHFJPXQTEPK-UHFFFAOYSA-N 0 0 187.268 1.543 10 0 ADAERN CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(N)=O 82527794 572041532 /nfs/dbraw/zinc/04/15/32/572041532.db2.gz ISMFCCSPEVYCGR-DJLDLDEBSA-N 0 0 182.267 1.433 10 0 ADAERN CC(C)C[C@@H](C)CC(CO)CO 300911736 572041534 /nfs/dbraw/zinc/04/15/34/572041534.db2.gz XXEHZLCXPGGIDL-SECBINFHSA-N 0 0 174.284 1.660 10 0 ADAERN COC(=O)CNC[C@@H]1C[C@H]2CC[C@@H]1C2 82527865 572041536 /nfs/dbraw/zinc/04/15/36/572041536.db2.gz NDSYGXIVAHKHFB-AEJSXWLSSA-N 0 0 197.278 1.185 10 0 ADAERN C[C@@H](O)CC[C@@H](O)c1ccoc1 15221887 572041577 /nfs/dbraw/zinc/04/15/77/572041577.db2.gz AORCXYMSPVAQIZ-VXNVDRBHSA-N 0 0 170.208 1.474 10 0 endogenous,in-man ADAERN c1ccc2c(c1)SCc1nnnn1-2 33885460 572041603 /nfs/dbraw/zinc/04/16/03/572041603.db2.gz PJSJLNZVYALOIF-UHFFFAOYSA-N 0 0 190.231 1.268 10 0 ADAERN CCOCCNc1cc(C)n(C)n1 300909453 572041665 /nfs/dbraw/zinc/04/16/65/572041665.db2.gz RNWOFNIHSZFUNW-UHFFFAOYSA-N 0 0 183.255 1.177 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@H+](C)CC1CCCC1 82492495 572041694 /nfs/dbraw/zinc/04/16/94/572041694.db2.gz ILRUQGGDJIGMEA-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC[S@](=O)N(C)CC1CCC1 687777610 572041825 /nfs/dbraw/zinc/04/18/25/572041825.db2.gz JRVVIJXKMTYSBS-NSHDSACASA-N 0 0 175.297 1.402 10 0 ADAERN CSC[C@@H](C)N(C)C(=O)C(F)F 235041956 572041731 /nfs/dbraw/zinc/04/17/31/572041731.db2.gz QRANXRBKAZOAKJ-RXMQYKEDSA-N 0 0 197.250 1.461 10 0 ADAERN O=[S@@](NCCF)C1CCCC1 687777185 572041735 /nfs/dbraw/zinc/04/17/35/572041735.db2.gz CSPDLYBBECDMAW-LLVKDONJSA-N 0 0 179.260 1.152 10 0 ADAERN CC[S@@](=O)N(C)CCC1CC1 687777395 572041779 /nfs/dbraw/zinc/04/17/79/572041779.db2.gz BMABAAAPLGLGFP-LLVKDONJSA-N 0 0 175.297 1.402 10 0 ADAERN Cc1nc(CNC[C@H]2C[C@@H]2C)no1 235598700 572041784 /nfs/dbraw/zinc/04/17/84/572041784.db2.gz SCQKKHPFWMKZJI-POYBYMJQSA-N 0 0 181.239 1.124 10 0 ADAERN CC[C@H]1N=CCS1 33883236 572041791 /nfs/dbraw/zinc/04/17/91/572041791.db2.gz RETWPUNUUVAWIM-YFKPBYRVSA-N 0 0 115.201 1.540 10 0 ADAERN Cc1coc2c1C(=O)[C@H](O)[C@H](C)C2 15211856 572041961 /nfs/dbraw/zinc/04/19/61/572041961.db2.gz VQJPIDCZXISJKM-MLUIRONXSA-N 0 0 180.203 1.324 10 0 ADAERN CCCCN[S@@](=O)C1CCCC1 687777180 572041999 /nfs/dbraw/zinc/04/19/99/572041999.db2.gz BZYAXNMWKHLBCV-LBPRGKRZSA-N 0 0 189.324 1.982 10 0 ADAERN CC(C)C[C@@H](C)C[C@@H](C)NN 300914447 572042026 /nfs/dbraw/zinc/04/20/26/572042026.db2.gz MENQHCZQGLAOFH-RKDXNWHRSA-N 0 0 158.289 1.911 10 0 ADAERN CCc1cccc([C@H](O)CO)c1 15205507 572042063 /nfs/dbraw/zinc/04/20/63/572042063.db2.gz ZPNNJYNIHQZIJX-SNVBAGLBSA-N 0 0 166.220 1.275 10 0 ADAERN O=[S@](C1CCCC1)N1CC=CC1 687777177 572042134 /nfs/dbraw/zinc/04/21/34/572042134.db2.gz AWJYPYVARUCPEU-GFCCVEGCSA-N 0 0 185.292 1.465 10 0 ADAERN COc1cccnc1[C@H](C)C[C@H](C)O 235050788 572042146 /nfs/dbraw/zinc/04/21/46/572042146.db2.gz HUUGRNRENKKOHW-BDAKNGLRSA-N 0 0 195.262 1.965 10 0 ADAERN O=C([O-])CC[NH2+]C[C@H]1C[C@H]2CC[C@@H]1C2 82527870 572042267 /nfs/dbraw/zinc/04/22/67/572042267.db2.gz CSMJXAMWXNVEGD-IVZWLZJFSA-N 0 0 197.278 1.487 10 0 ADAERN CCn1ccc(NCCCF)n1 300909371 572042251 /nfs/dbraw/zinc/04/22/51/572042251.db2.gz RNGSPRIEWRQQCJ-UHFFFAOYSA-N 0 0 171.219 1.675 10 0 ADAERN O=[S@](NCCF)C1CCCC1 687777186 572042208 /nfs/dbraw/zinc/04/22/08/572042208.db2.gz CSPDLYBBECDMAW-NSHDSACASA-N 0 0 179.260 1.152 10 0 ADAERN COC(=O)C[C@@H]1CC[C@H](OC)C1 113568089 572042223 /nfs/dbraw/zinc/04/22/23/572042223.db2.gz SDQHOPPJCZBQRF-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN O=[S@@](C1CCCC1)N1CCC1 687777182 572042228 /nfs/dbraw/zinc/04/22/28/572042228.db2.gz CDGHPQCWRLRFPQ-NSHDSACASA-N 0 0 173.281 1.298 10 0 ADAERN C[C@H](CC(=O)[O-])[N@H+](C)CC1CCCC1 82492496 572042234 /nfs/dbraw/zinc/04/22/34/572042234.db2.gz ILRUQGGDJIGMEA-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCc1c(N)noc1CCC1CC1 400870960 572042773 /nfs/dbraw/zinc/04/27/73/572042773.db2.gz RYUMGGYBZNITMM-UHFFFAOYSA-N 0 0 180.251 1.992 10 0 ADAERN CCn1nncc1CC[C@@H](O)C(C)C 300910920 572042335 /nfs/dbraw/zinc/04/23/35/572042335.db2.gz RYRGYAFSCOXTFI-SNVBAGLBSA-N 0 0 197.282 1.248 10 0 ADAERN CC[S@@](=O)N(C)CC1CCC1 687777609 572042340 /nfs/dbraw/zinc/04/23/40/572042340.db2.gz JRVVIJXKMTYSBS-LLVKDONJSA-N 0 0 175.297 1.402 10 0 ADAERN CCCOCCOc1cc(N)ccn1 82528198 572042345 /nfs/dbraw/zinc/04/23/45/572042345.db2.gz ZGOLRUNVNUWTON-UHFFFAOYSA-N 0 0 196.250 1.469 10 0 ADAERN N#C[N-][N+](=O)c1ccccc1Cl 334139029 572042389 /nfs/dbraw/zinc/04/23/89/572042389.db2.gz WHSYNNPRJRGIAI-UHFFFAOYSA-N 0 0 182.590 1.736 10 0 ADAERN CCCOC(=O)[C@@H]1CCOC[C@@H]1C 300910479 572042406 /nfs/dbraw/zinc/04/24/06/572042406.db2.gz XRXRBKMGUCUIIP-DTWKUNHWSA-N 0 0 186.251 1.612 10 0 ADAERN CC(C)C[C@H](C)C[C@H](C)NN 300914446 572042448 /nfs/dbraw/zinc/04/24/48/572042448.db2.gz MENQHCZQGLAOFH-IUCAKERBSA-N 0 0 158.289 1.911 10 0 ADAERN CN(CCCO)c1cccc(F)c1N 300914334 572042522 /nfs/dbraw/zinc/04/25/22/572042522.db2.gz DJKBNZQRHCBCMJ-UHFFFAOYSA-N 0 0 198.241 1.227 10 0 ADAERN CC1=N[C@H](c2ccccc2)NN1C 334139007 572042534 /nfs/dbraw/zinc/04/25/34/572042534.db2.gz GIBHADNTHKTDCA-JTQLQIEISA-N 0 0 175.235 1.554 10 0 ADAERN CC[S@](=O)N(C)CCC1CC1 687777396 572042553 /nfs/dbraw/zinc/04/25/53/572042553.db2.gz BMABAAAPLGLGFP-NSHDSACASA-N 0 0 175.297 1.402 10 0 ADAERN CC[C@@H](C)Oc1ncncc1CO 300908634 572042790 /nfs/dbraw/zinc/04/27/90/572042790.db2.gz OKODCQVDKAGJML-SSDOTTSWSA-N 0 0 182.223 1.146 10 0 ADAERN O=[S@](NCCCF)C1CCCC1 687777198 572042575 /nfs/dbraw/zinc/04/25/75/572042575.db2.gz DSXWIQYJUSQTBR-LBPRGKRZSA-N 0 0 193.287 1.542 10 0 ADAERN C=CC(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 82527760 572042580 /nfs/dbraw/zinc/04/25/80/572042580.db2.gz IDEDYBCTQLKXOU-IVZWLZJFSA-N 0 0 179.263 1.725 10 0 ADAERN O=[S@@](NCCCF)C1CCCC1 687777197 572042660 /nfs/dbraw/zinc/04/26/60/572042660.db2.gz DSXWIQYJUSQTBR-GFCCVEGCSA-N 0 0 193.287 1.542 10 0 ADAERN C=CC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 82527759 572042681 /nfs/dbraw/zinc/04/26/81/572042681.db2.gz IDEDYBCTQLKXOU-AEJSXWLSSA-N 0 0 179.263 1.725 10 0 ADAERN CCOc1cc(NC)nc(COC)n1 82491848 572042803 /nfs/dbraw/zinc/04/28/03/572042803.db2.gz LHPBSDIFAVWWGP-UHFFFAOYSA-N 0 0 197.238 1.063 10 0 ADAERN CCCOCCO[C@@H](C)C(N)=S 82528692 572042721 /nfs/dbraw/zinc/04/27/21/572042721.db2.gz ZXTRLORRYIGQPL-ZETCQYMHSA-N 0 0 191.296 1.104 10 0 ADAERN COC(=O)C[C@H]1CC[C@H](OC)C1 113568094 572042804 /nfs/dbraw/zinc/04/28/04/572042804.db2.gz SDQHOPPJCZBQRF-YUMQZZPRSA-N 0 0 172.224 1.365 10 0 ADAERN CO[C@@H](C1CC1)[C@H](N)C(F)F 687702750 572042805 /nfs/dbraw/zinc/04/28/05/572042805.db2.gz WPNVTKRPKNYQSH-WDSKDSINSA-N 0 0 165.183 1.004 10 0 ADAERN CCOc1ccsc1C(N)=O 33892630 572042780 /nfs/dbraw/zinc/04/27/80/572042780.db2.gz SZZQTGDGOYRCRV-UHFFFAOYSA-N 0 0 171.221 1.246 10 0 ADAERN CC1C(=O)C(=CN=O)C(CO)=CN1C 334138649 572043132 /nfs/dbraw/zinc/04/31/32/572043132.db2.gz QBYDCMGPKIHZLM-BAQGIRSFSA-N 0 0 196.206 1.248 10 0 ADAERN CC[S@](=O)NCCC1CCC1 687777681 572042908 /nfs/dbraw/zinc/04/29/08/572042908.db2.gz MELOBRVIYFSRBV-NSHDSACASA-N 0 0 175.297 1.450 10 0 ADAERN COCCCNc1ccn(C(C)C)n1 300913797 572042925 /nfs/dbraw/zinc/04/29/25/572042925.db2.gz YKKHTYCHDIFLCV-UHFFFAOYSA-N 0 0 197.282 1.912 10 0 ADAERN CCn1nncc1CC[C@H](O)C(C)C 300910918 572042976 /nfs/dbraw/zinc/04/29/76/572042976.db2.gz RYRGYAFSCOXTFI-JTQLQIEISA-N 0 0 197.282 1.248 10 0 ADAERN CCCCC(=O)c1cc(OC)n(C)n1 300912414 572042961 /nfs/dbraw/zinc/04/29/61/572042961.db2.gz FMELRVAPJQDEMD-UHFFFAOYSA-N 0 0 196.250 1.802 10 0 ADAERN C[C@H](O)[C@@H](O)CCCC(F)(F)F 235598490 572043026 /nfs/dbraw/zinc/04/30/26/572043026.db2.gz CYSPKTFIDDNEHN-WDSKDSINSA-N 0 0 186.173 1.461 10 0 ADAERN N#CNC[C@H]1C[C@H]2CC[C@@H]1C2 82527954 572043036 /nfs/dbraw/zinc/04/30/36/572043036.db2.gz ZNKIOEYVCMXUMV-DJLDLDEBSA-N 0 0 150.225 1.493 10 0 ADAERN C[C@H](O)[C@@H](O)CCC[C@@H]1CCCO1 235598558 572043039 /nfs/dbraw/zinc/04/30/39/572043039.db2.gz DWIORTHCYDBOTN-AEJSXWLSSA-N 0 0 188.267 1.077 10 0 ADAERN Cc1cnc([C@@H](N)C(F)F)nc1 687702916 572043066 /nfs/dbraw/zinc/04/30/66/572043066.db2.gz UGRDETMXVPFUOH-YFKPBYRVSA-N 0 0 173.166 1.050 10 0 ADAERN CCCCN[S@](=O)C1CCCC1 687777179 572043075 /nfs/dbraw/zinc/04/30/75/572043075.db2.gz BZYAXNMWKHLBCV-GFCCVEGCSA-N 0 0 189.324 1.982 10 0 ADAERN CC(C)n1ccc(NCCCCO)n1 300913238 572043094 /nfs/dbraw/zinc/04/30/94/572043094.db2.gz SCCRJOFTCOFYFC-UHFFFAOYSA-N 0 0 197.282 1.648 10 0 ADAERN CCCOCCOCCC(N)=S 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0 0 197.234 1.113 10 0 ADAERN CCOC(=O)c1c(C)c(C)nn1C 33992251 572048581 /nfs/dbraw/zinc/04/85/81/572048581.db2.gz WUUUUWIHHKLIHO-UHFFFAOYSA-N 0 0 182.223 1.214 10 0 ADAERN Oc1cccnc1[C@@H](O)C(F)(F)F 33978600 572048596 /nfs/dbraw/zinc/04/85/96/572048596.db2.gz VKBMDFYLHJJRNM-ZCFIWIBFSA-N 0 0 193.124 1.383 10 0 ADAERN Cc1cc([C@H](N)C(F)F)cc(C)n1 687703889 572048598 /nfs/dbraw/zinc/04/85/98/572048598.db2.gz RDKDRFVAAAYDIH-QMMMGPOBSA-N 0 0 186.205 1.963 10 0 ADAERN C[C@@H]1C[C@H]2C[C@@H]1[C@H](O)C2 34128143 572057378 /nfs/dbraw/zinc/05/73/78/572057378.db2.gz DDADYYRAWPFXAO-VGRMVHKJSA-N 0 0 126.199 1.413 10 0 ADAERN Cc1ncccc1CCc1c[nH]cn1 33975320 572048626 /nfs/dbraw/zinc/04/86/26/572048626.db2.gz ATFGWOUURSHVCO-UHFFFAOYSA-N 0 0 187.246 1.898 10 0 ADAERN CCCN[C@H](CN1CCC1)C(F)F 687704010 572048675 /nfs/dbraw/zinc/04/86/75/572048675.db2.gz ZNXNHZWAOSPYBB-MRVPVSSYSA-N 0 0 192.253 1.325 10 0 ADAERN CSCC[C@H](CCO)C(C)=O 235071728 572048711 /nfs/dbraw/zinc/04/87/11/572048711.db2.gz OOMCEENRFRSVPZ-QMMMGPOBSA-N 0 0 176.281 1.327 10 0 ADAERN CC[S@](=O)NCCC(C)(C)C 687778098 572048719 /nfs/dbraw/zinc/04/87/19/572048719.db2.gz AKHYEVJDMRRHGY-NSHDSACASA-N 0 0 177.313 1.696 10 0 ADAERN CC1=CC[C@@H]([C@@]2(C)CO2)C[C@@H]1O 34016843 572048724 /nfs/dbraw/zinc/04/87/24/572048724.db2.gz KHUGQCWYYOUPSO-KXUCPTDWSA-N 0 0 168.236 1.493 10 0 ADAERN C/C=C/C(=O)NCCCOCC 82551546 572048730 /nfs/dbraw/zinc/04/87/30/572048730.db2.gz GLQNVTBHDFMNJK-ZZXKWVIFSA-N 0 0 171.240 1.105 10 0 ADAERN C=CC(=O)N(C)C[C@@H](C)CC 36334846 572058732 /nfs/dbraw/zinc/05/87/32/572058732.db2.gz DYHPRONBVQNEEE-QMMMGPOBSA-N 0 0 155.241 1.677 10 0 ADAERN CC1(C)CC(C)(C)C1(C[NH3+])CC(=O)[O-] 33992377 572048769 /nfs/dbraw/zinc/04/87/69/572048769.db2.gz XRAYXEBZNYLCBY-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CC1(C)CC[C@](C[NH3+])(CC(=O)[O-])C1 33966193 572048777 /nfs/dbraw/zinc/04/87/77/572048777.db2.gz QZBKCCCUSMQVTC-JTQLQIEISA-N 0 0 185.267 1.616 10 0 ADAERN CCCN(C(C)C)[S@](=O)CC 687778257 572048782 /nfs/dbraw/zinc/04/87/82/572048782.db2.gz IQPZKWADNZCYQA-LLVKDONJSA-N 0 0 177.313 1.790 10 0 ADAERN CC[C@@H](N[S@](=O)CC)C(C)C 687778206 572048809 /nfs/dbraw/zinc/04/88/09/572048809.db2.gz GCTBLQIUIUOROA-LDYMZIIASA-N 0 0 177.313 1.694 10 0 ADAERN C[C@H]([NH3+])[C@H](O)c1ccc([S-])cc1 33966163 572048812 /nfs/dbraw/zinc/04/88/12/572048812.db2.gz NAJTXVRKXBBTQU-RCOVLWMOSA-N 0 0 183.276 1.356 10 0 ADAERN C(=C\c1cocn1)\c1ccnnc1 379382672 572048817 /nfs/dbraw/zinc/04/88/17/572048817.db2.gz FLCWYLQIOIPCSN-UPHRSURJSA-N 0 0 173.175 1.635 10 0 ADAERN CCC[C@@H]1C[C@@H]1N[S@@](=O)CC 687777714 572048834 /nfs/dbraw/zinc/04/88/34/572048834.db2.gz MZZHMPCTJKYTDY-FYBVGQRMSA-N 0 0 175.297 1.448 10 0 ADAERN CC(C)(C)c1cc(NC(N)=O)no1 33986667 572048844 /nfs/dbraw/zinc/04/88/44/572048844.db2.gz PMXLTKAKSSLLDX-UHFFFAOYSA-N 0 0 183.211 1.463 10 0 ADAERN CCN(C)CC(=O)c1ccco1 37333902 572048907 /nfs/dbraw/zinc/04/89/07/572048907.db2.gz XESQQWMDEHLTNN-UHFFFAOYSA-N 0 0 167.208 1.414 10 0 ADAERN CN[C@@H](c1ncccc1F)C(F)F 687704013 572048937 /nfs/dbraw/zinc/04/89/37/572048937.db2.gz ZVWUCYNNGGDMGK-ZETCQYMHSA-N 0 0 190.168 1.746 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]C[C@@H]1C[C@@H]1C 235608963 572049892 /nfs/dbraw/zinc/04/98/92/572049892.db2.gz RNZVCXVOPBERHR-LFTMGRLWSA-N 0 0 183.251 1.263 10 0 ADAERN CCCN[C@@H](CN1CCC1)C(F)F 687704011 572048949 /nfs/dbraw/zinc/04/89/49/572048949.db2.gz ZNXNHZWAOSPYBB-QMMMGPOBSA-N 0 0 192.253 1.325 10 0 ADAERN Cc1cc(O)c(C(N)=O)c(C)c1Cl 71455007 572048976 /nfs/dbraw/zinc/04/89/76/572048976.db2.gz MEUWIXKRGRCCAW-UHFFFAOYSA-N 0 0 199.637 1.761 10 0 ADAERN CCN[C@H](c1cn[nH]c1)C(F)(F)F 687704175 572048990 /nfs/dbraw/zinc/04/89/90/572048990.db2.gz CHSNHAGKPAIWIK-ZCFIWIBFSA-N 0 0 193.172 1.623 10 0 ADAERN Cc1nc(CN[C@@H](C)CC2CC2)no1 235074299 572048998 /nfs/dbraw/zinc/04/89/98/572048998.db2.gz JJKYKBBRGJEYMF-ZETCQYMHSA-N 0 0 195.266 1.656 10 0 ADAERN CCCOc1ccc(OC)c(C[NH3+])c1 71455426 572049033 /nfs/dbraw/zinc/04/90/33/572049033.db2.gz NLFIPRPRXMKOAV-UHFFFAOYSA-N 0 0 195.262 1.943 10 0 ADAERN c1ccc2c(c1)oc1nncn12 34067134 572049139 /nfs/dbraw/zinc/04/91/39/572049139.db2.gz KHJGOIITMGTSGE-UHFFFAOYSA-N 0 0 159.148 1.476 10 0 ADAERN Cc1cc([C@@H](N)C(F)F)cc(C)n1 687703888 572049146 /nfs/dbraw/zinc/04/91/46/572049146.db2.gz RDKDRFVAAAYDIH-MRVPVSSYSA-N 0 0 186.205 1.963 10 0 ADAERN CC[S@](=O)NC[C@H]1CC1(C)C 687778031 572049150 /nfs/dbraw/zinc/04/91/50/572049150.db2.gz YDAJQJZEEUQXGI-HQJQHLMTSA-N 0 0 175.297 1.306 10 0 ADAERN N=C1OC(=O)c2ccccc21 34049614 572049170 /nfs/dbraw/zinc/04/91/70/572049170.db2.gz SGMXPKAFOKYPKA-UHFFFAOYSA-N 0 0 147.133 1.182 10 0 ADAERN Nc1cccc2c1CSC2=O 34066710 572049175 /nfs/dbraw/zinc/04/91/75/572049175.db2.gz CZFMQCNBSAHQEY-UHFFFAOYSA-N 0 0 165.217 1.656 10 0 ADAERN CNc1nc(C)cc(OC(F)F)n1 34070486 572049202 /nfs/dbraw/zinc/04/92/02/572049202.db2.gz XBSKHYAOTRVSDD-UHFFFAOYSA-N 0 0 189.165 1.428 10 0 ADAERN CC[S@](=O)N(C)C1CCCC1 687778065 572049212 /nfs/dbraw/zinc/04/92/12/572049212.db2.gz ZPKXHFTZJGSFBQ-NSHDSACASA-N 0 0 175.297 1.544 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cnn(CC)c1 82561519 572049229 /nfs/dbraw/zinc/04/92/29/572049229.db2.gz YEAFFGVLPHWVFS-WCBMZHEXSA-N 0 0 182.267 1.983 10 0 ADAERN C/C=C\C(=O)N1C[C@H]2CSC[C@H]2C1 711629377 572049253 /nfs/dbraw/zinc/04/92/53/572049253.db2.gz ADQHGRJLLCHIAG-NGLHGULASA-N 0 0 197.303 1.384 10 0 ADAERN Oc1ccccc1OC[C@@H]1CO1 34060637 572049255 /nfs/dbraw/zinc/04/92/55/572049255.db2.gz ZTCRAKYLWCYMRH-ZETCQYMHSA-N 0 0 166.176 1.170 10 0 ADAERN CC[C@@H](C)[C@@H](O)[C@@H]1CCOC1 82561602 572049271 /nfs/dbraw/zinc/04/92/71/572049271.db2.gz XEPDBILUIWZQIV-IWSPIJDZSA-N 0 0 158.241 1.430 10 0 ADAERN CC[C@H](C)[C@@H](O)C[C@@H]1CCCO1 82561631 572049283 /nfs/dbraw/zinc/04/92/83/572049283.db2.gz BRCLKQBLUKZEJZ-GUBZILKMSA-N 0 0 172.268 1.963 10 0 ADAERN CC(=O)[C@@H]1CCC[C@H](C)O1 34067756 572049298 /nfs/dbraw/zinc/04/92/98/572049298.db2.gz YSOIWTRKVHKFNM-XPUUQOCRSA-N 0 0 142.198 1.533 10 0 ADAERN CC[C@@H](C)c1noc([C@H](C)NC)n1 82561068 572049346 /nfs/dbraw/zinc/04/93/46/572049346.db2.gz CDGPUCPOQKXJDU-RQJHMYQMSA-N 0 0 183.255 1.864 10 0 ADAERN CC[C@@H](CC(F)(F)F)C(N)=O 34060678 572049353 /nfs/dbraw/zinc/04/93/53/572049353.db2.gz ADGHMQZZJIRPMT-BYPYZUCNSA-N 0 0 169.146 1.450 10 0 ADAERN CN[C@@H](c1cn[nH]c1)C(F)(F)F 687704630 572049354 /nfs/dbraw/zinc/04/93/54/572049354.db2.gz PEGNLNWVBRHACC-YFKPBYRVSA-N 0 0 179.145 1.233 10 0 ADAERN C/C=C/C(=O)N1C[C@H]2CSC[C@H]2C1 711629376 572049435 /nfs/dbraw/zinc/04/94/35/572049435.db2.gz ADQHGRJLLCHIAG-MMCMULPCSA-N 0 0 197.303 1.384 10 0 ADAERN CC[C@H](C)[C@H](O)C[C@@H]1CCCO1 82561629 572049971 /nfs/dbraw/zinc/04/99/71/572049971.db2.gz BRCLKQBLUKZEJZ-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)[S@@](=O)N(C)c1ccncc1 687779039 572049441 /nfs/dbraw/zinc/04/94/41/572049441.db2.gz PLOIHWIZOUHENG-CYBMUJFWSA-N 0 0 198.291 1.590 10 0 ADAERN CC[S@@](=O)NC[C@@H](C)C(C)C 687778432 572049452 /nfs/dbraw/zinc/04/94/52/572049452.db2.gz OKGMNUJTAOUYLJ-LDYMZIIASA-N 0 0 177.313 1.552 10 0 ADAERN CC[S@@](=O)NC[C@@H]1CC1(C)C 687778033 572049486 /nfs/dbraw/zinc/04/94/86/572049486.db2.gz YDAJQJZEEUQXGI-WRWORJQWSA-N 0 0 175.297 1.306 10 0 ADAERN CC[C@@H](C)[C@H](O)C[C@@H]1CCCO1 82561628 572049506 /nfs/dbraw/zinc/04/95/06/572049506.db2.gz BRCLKQBLUKZEJZ-KXUCPTDWSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cnn(CC)c1 82561518 572049509 /nfs/dbraw/zinc/04/95/09/572049509.db2.gz YEAFFGVLPHWVFS-PSASIEDQSA-N 0 0 182.267 1.983 10 0 ADAERN Cc1nccc([C@H](N)C(F)(F)F)n1 687704483 572049974 /nfs/dbraw/zinc/04/99/74/572049974.db2.gz KWFQVRSFBPELMA-LURJTMIESA-N 0 0 191.156 1.347 10 0 ADAERN CC[C@@H](C)[C@@H](O)CCCOC 82561742 572049523 /nfs/dbraw/zinc/04/95/23/572049523.db2.gz RNHQAGUDLHBGAR-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN Oc1ccccc1OC[C@H]1CO1 34060638 572049557 /nfs/dbraw/zinc/04/95/57/572049557.db2.gz ZTCRAKYLWCYMRH-SSDOTTSWSA-N 0 0 166.176 1.170 10 0 ADAERN CC(=O)[C@@H]1O[C@H]1CC(C)C 196454358 572059383 /nfs/dbraw/zinc/05/93/83/572059383.db2.gz GMUSNRQNLOBHLE-YUMQZZPRSA-N 0 0 142.198 1.389 10 0 ADAERN C/C=C\C(=O)N1C[C@@H]2CSC[C@H]2C1 711629359 572049619 /nfs/dbraw/zinc/04/96/19/572049619.db2.gz ADQHGRJLLCHIAG-BNEREYBLSA-N 0 0 197.303 1.384 10 0 ADAERN CC[S@](=O)NC[C@@H](C)C(C)C 687778430 572049646 /nfs/dbraw/zinc/04/96/46/572049646.db2.gz OKGMNUJTAOUYLJ-KCJUWKMLSA-N 0 0 177.313 1.552 10 0 ADAERN CC[C@H](CC(F)(F)F)C(N)=O 34060679 572049986 /nfs/dbraw/zinc/04/99/86/572049986.db2.gz ADGHMQZZJIRPMT-SCSAIBSYSA-N 0 0 169.146 1.450 10 0 ADAERN O=C(CF)NC1CCCCCC1 34060760 572049659 /nfs/dbraw/zinc/04/96/59/572049659.db2.gz WFBPBWMSEWGNEF-UHFFFAOYSA-N 0 0 173.231 1.795 10 0 ADAERN CC(C)[S@@](=O)NCc1cccnc1 687778519 572049684 /nfs/dbraw/zinc/04/96/84/572049684.db2.gz BICZZDKOCVHPKF-CYBMUJFWSA-N 0 0 198.291 1.243 10 0 ADAERN C/C=C/C(=O)N1C[C@@H]2CSC[C@H]2C1 711629365 572049685 /nfs/dbraw/zinc/04/96/85/572049685.db2.gz ADQHGRJLLCHIAG-KHVQUVQLSA-N 0 0 197.303 1.384 10 0 ADAERN CC[C@@H](C)[C@H](O)Cc1cnn(C)c1 82561636 572049720 /nfs/dbraw/zinc/04/97/20/572049720.db2.gz OGQXDYAANLBJSK-PSASIEDQSA-N 0 0 182.267 1.370 10 0 ADAERN CCn1nncc1C(=O)CC1CC1 300920815 572049730 /nfs/dbraw/zinc/04/97/30/572049730.db2.gz TXGRCXIOGXSWJY-UHFFFAOYSA-N 0 0 179.223 1.281 10 0 ADAERN CN[C@H](c1coc(C)n1)C(F)(F)F 687704253 572049745 /nfs/dbraw/zinc/04/97/45/572049745.db2.gz GNQXEJYRJIXJQN-ZCFIWIBFSA-N 0 0 194.156 1.806 10 0 ADAERN CC[C@@H](C)[C@H](O)[C@@H]1CCOC1 82561600 572049757 /nfs/dbraw/zinc/04/97/57/572049757.db2.gz XEPDBILUIWZQIV-HLTSFMKQSA-N 0 0 158.241 1.430 10 0 ADAERN CC[C@@H](C)C(=O)Cc1cnn(C)c1 82561264 572049785 /nfs/dbraw/zinc/04/97/85/572049785.db2.gz OOIHMFOUPODFAX-MRVPVSSYSA-N 0 0 180.251 1.578 10 0 ADAERN C[C@H]1C[C@@H]1CNc1[nH]cc[nH+]1 235609632 572049803 /nfs/dbraw/zinc/04/98/03/572049803.db2.gz VFZBSTVKWXWPDV-NKWVEPMBSA-N 0 0 151.213 1.478 10 0 ADAERN CC[C@H](C)[C@H](O)Cc1cnn(CC)c1 82561565 572049809 /nfs/dbraw/zinc/04/98/09/572049809.db2.gz KJYDJBXUDNQNHH-GXSJLCMTSA-N 0 0 196.294 1.853 10 0 ADAERN CCOCC(C)(C)N[S@](=O)CC 687778457 572049810 /nfs/dbraw/zinc/04/98/10/572049810.db2.gz PKSQBDOCIRBMTH-GFCCVEGCSA-N 0 0 193.312 1.075 10 0 ADAERN O=C1Cc2c[nH]c3cccc(c23)N1 34060728 572049814 /nfs/dbraw/zinc/04/98/14/572049814.db2.gz QKJVDPYFYQQBMP-UHFFFAOYSA-N 0 0 172.187 1.663 10 0 ADAERN Cc1ncsc1C(C)(C)O 34067676 572049828 /nfs/dbraw/zinc/04/98/28/572049828.db2.gz GYIQVTQHLJFNNV-UHFFFAOYSA-N 0 0 157.238 1.679 10 0 ADAERN COC1CC(O)(CCCC(F)F)C1 687888247 572049859 /nfs/dbraw/zinc/04/98/59/572049859.db2.gz CIAFHFHLDFGPHS-UHFFFAOYSA-N 0 0 194.221 1.962 10 0 ADAERN CC[C@H](C)C(=O)Cc1cnn(C)c1 82561265 572049878 /nfs/dbraw/zinc/04/98/78/572049878.db2.gz OOIHMFOUPODFAX-QMMMGPOBSA-N 0 0 180.251 1.578 10 0 ADAERN [NH3+]C[C@]1(C(=O)[O-])C[C@H]1C1CCCCC1 34061352 572049879 /nfs/dbraw/zinc/04/98/79/572049879.db2.gz PMZAJNUCJDXIMT-GXSJLCMTSA-N 0 0 197.278 1.616 10 0 ADAERN CC1=CC(=O)O/C1=C\Br 34027484 572049896 /nfs/dbraw/zinc/04/98/96/572049896.db2.gz FTYBLHJEILABKJ-HYXAFXHYSA-N 0 0 189.008 1.726 10 0 ADAERN [NH3+]C[C@]1(C(=O)[O-])C[C@@H]1C1CCCCC1 34061353 572049901 /nfs/dbraw/zinc/04/99/01/572049901.db2.gz PMZAJNUCJDXIMT-MWLCHTKSSA-N 0 0 197.278 1.616 10 0 ADAERN CC[C@H](C)[C@H](O)Cc1cnn(C)c1 82561637 572049993 /nfs/dbraw/zinc/04/99/93/572049993.db2.gz OGQXDYAANLBJSK-WCBMZHEXSA-N 0 0 182.267 1.370 10 0 ADAERN CC[C@@H](C)c1noc([C@@H](N)C2CC2)n1 82561162 572049933 /nfs/dbraw/zinc/04/99/33/572049933.db2.gz IDWZSFSOLFCPDW-SVRRBLITSA-N 0 0 195.266 1.993 10 0 ADAERN CC[C@@H](C)c1noc([C@H](N)C2CC2)n1 82561160 572049946 /nfs/dbraw/zinc/04/99/46/572049946.db2.gz IDWZSFSOLFCPDW-HTRCEHHLSA-N 0 0 195.266 1.993 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cnn(CC)c1 82561516 572050071 /nfs/dbraw/zinc/05/00/71/572050071.db2.gz YEAFFGVLPHWVFS-SCZZXKLOSA-N 0 0 182.267 1.983 10 0 ADAERN CC(C)[S@](=O)N(C)c1ccncc1 687779040 572050047 /nfs/dbraw/zinc/05/00/47/572050047.db2.gz PLOIHWIZOUHENG-ZDUSSCGKSA-N 0 0 198.291 1.590 10 0 ADAERN CC[C@H](C)[C@@H](O)Cc1cnn(CC)c1 82561567 572050276 /nfs/dbraw/zinc/05/02/76/572050276.db2.gz KJYDJBXUDNQNHH-ONGXEEELSA-N 0 0 196.294 1.853 10 0 ADAERN CC(C)[S@](=O)N(C)c1cccnc1 687778998 572050109 /nfs/dbraw/zinc/05/01/09/572050109.db2.gz NOOZORRJQJBISR-ZDUSSCGKSA-N 0 0 198.291 1.590 10 0 ADAERN CCC[C@@H](C)C[C@@H](NN)c1nc[nH]n1 229151703 572050112 /nfs/dbraw/zinc/05/01/12/572050112.db2.gz RZHZZAYDYAKNCD-HTQZYQBOSA-N 0 0 197.286 1.135 10 0 ADAERN C[C@@H](CO)[C@@H](O)c1ccccc1 34060641 572050168 /nfs/dbraw/zinc/05/01/68/572050168.db2.gz HOZWNKKVYXPKSI-WCBMZHEXSA-N 0 0 166.220 1.348 10 0 ADAERN OCCOCOCc1ccccc1 34060914 572050171 /nfs/dbraw/zinc/05/01/71/572050171.db2.gz ASUTVFFDQWUQAQ-UHFFFAOYSA-N 0 0 182.219 1.170 10 0 ADAERN CCCC[C@@H]1NC(=O)O[C@@H]1C 34060519 572050176 /nfs/dbraw/zinc/05/01/76/572050176.db2.gz WSYQUXNCPBGJKZ-RQJHMYQMSA-N 0 0 157.213 1.674 10 0 ADAERN CC(C)[S@@](=O)N(C)c1cccnc1 687778997 572050181 /nfs/dbraw/zinc/05/01/81/572050181.db2.gz NOOZORRJQJBISR-CYBMUJFWSA-N 0 0 198.291 1.590 10 0 ADAERN Cc1cc(Cl)c(C)c(C(N)=O)c1O 71457039 572050182 /nfs/dbraw/zinc/05/01/82/572050182.db2.gz ABEBPQXOZTYGFC-UHFFFAOYSA-N 0 0 199.637 1.761 10 0 ADAERN CC(C)(C)c1cc(CO)c(C=O)o1 34060918 572050193 /nfs/dbraw/zinc/05/01/93/572050193.db2.gz WGNXYBBTXNEHBI-UHFFFAOYSA-N 0 0 182.219 1.882 10 0 ADAERN Cc1nn(C)c(NC2CCCC2)c1N 34049828 572050198 /nfs/dbraw/zinc/05/01/98/572050198.db2.gz KZTUYLAMKKWKSE-UHFFFAOYSA-N 0 0 194.282 1.665 10 0 ADAERN O=[S@@](NC1CC=CC1)C1CCCC1 687778066 572050202 /nfs/dbraw/zinc/05/02/02/572050202.db2.gz ZQUYTVNJIQWRJW-CYBMUJFWSA-N 0 0 199.319 1.901 10 0 ADAERN CC[C@@H](C)[C@H](O)CCCOC 82561740 572050231 /nfs/dbraw/zinc/05/02/31/572050231.db2.gz RNHQAGUDLHBGAR-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN ONC(=S)NCc1ccccc1 15783302 572050233 /nfs/dbraw/zinc/05/02/33/572050233.db2.gz UOGPLSWOLBGSTB-UHFFFAOYSA-N 0 0 182.248 1.040 10 0 ADAERN Cc1ccc(-n2cncn2)cc1 34060548 572050239 /nfs/dbraw/zinc/05/02/39/572050239.db2.gz NXIAVERGTMRISY-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN 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572059428 /nfs/dbraw/zinc/05/94/28/572059428.db2.gz NYHNTQHBVXHBAE-NSHDSACASA-N 0 0 177.247 1.878 10 0 ADAERN CC1(C)NC(=O)c2ccc(O)cc2O1 34143266 572059576 /nfs/dbraw/zinc/05/95/76/572059576.db2.gz PGYYGHGXZFJGCB-UHFFFAOYSA-N 0 0 193.202 1.251 10 0 ADAERN C[C@H]1COC(=O)O[C@@H]1C 34142493 572059486 /nfs/dbraw/zinc/05/94/86/572059486.db2.gz ZUBVBRAWCGZYMQ-CRCLSJGQSA-N 0 0 130.143 1.178 10 0 ADAERN CC[C@@H](O)c1oc(N)nc1C 34165012 572059512 /nfs/dbraw/zinc/05/95/12/572059512.db2.gz DIYLGPREHHBLLA-RXMQYKEDSA-N 0 0 156.185 1.009 10 0 ADAERN CCCC(=O)N1[C@H]2CC[C@@H]1CC(O)C2 82597375 572059515 /nfs/dbraw/zinc/05/95/15/572059515.db2.gz SZUSRIWNUGTFKW-ULKQDVFKSA-N 0 0 197.278 1.301 10 0 ADAERN CCO[C@H](C)/C=C/CCO 34154291 572059544 /nfs/dbraw/zinc/05/95/44/572059544.db2.gz VFSFYBJVEPLLIJ-YZCDNWJKSA-N 0 0 144.214 1.350 10 0 ADAERN O=C1O[C@@H](O)c2c(F)ccc(F)c21 34163899 572059593 /nfs/dbraw/zinc/05/95/93/572059593.db2.gz YTZANCWFOOQUOK-SSDOTTSWSA-N 0 0 186.113 1.126 10 0 ADAERN C[C@@]12CCC(=O)N[C@H]1CCCC2=O 196450115 572059697 /nfs/dbraw/zinc/05/96/97/572059697.db2.gz VKANGSQOADNABP-OIBJUYFYSA-N 0 0 181.235 1.024 10 0 ADAERN CC(=O)CC(C)CC(C)=O 34153396 572059632 /nfs/dbraw/zinc/05/96/32/572059632.db2.gz NZTWSVDUWQKAPI-UHFFFAOYSA-N 0 0 142.198 1.581 10 0 ADAERN [O-][n+]1ccc2c(c1)[C@@H]1CC[C@H]2C1 34142760 572059698 /nfs/dbraw/zinc/05/96/98/572059698.db2.gz PRRAOXCIDJVXPM-JGVFFNPUSA-N 0 0 161.204 1.685 10 0 ADAERN CC(=O)O[C@H]1CCCC(=O)C1 34156133 572059653 /nfs/dbraw/zinc/05/96/53/572059653.db2.gz SHBSJXDUJMMRFE-QMMMGPOBSA-N 0 0 156.181 1.061 10 0 ADAERN CC(=O)O[C@@H]1CCCC(=O)C1 34156132 572059673 /nfs/dbraw/zinc/05/96/73/572059673.db2.gz SHBSJXDUJMMRFE-MRVPVSSYSA-N 0 0 156.181 1.061 10 0 ADAERN O=COc1ccccc1Cl 34153523 572059679 /nfs/dbraw/zinc/05/96/79/572059679.db2.gz LSMFVNMEILOIMK-UHFFFAOYSA-N 0 0 156.568 1.875 10 0 ADAERN O=C1O[C@H](O)c2c(F)ccc(F)c21 34163900 572059687 /nfs/dbraw/zinc/05/96/87/572059687.db2.gz YTZANCWFOOQUOK-ZETCQYMHSA-N 0 0 186.113 1.126 10 0 ADAERN Fc1nccc(NC[C@@H]2C=CCC2)n1 711655761 572059728 /nfs/dbraw/zinc/05/97/28/572059728.db2.gz PNDNXAFSHRXSIX-MRVPVSSYSA-N 0 0 193.225 1.994 10 0 ADAERN CC[C@H](CC(N)=S)n1ccnc1C 36678449 572059742 /nfs/dbraw/zinc/05/97/42/572059742.db2.gz WNRGXFPUUZWIQC-MRVPVSSYSA-N 0 0 197.307 1.819 10 0 ADAERN CCC[C@H](CC)N[S@](=O)CC 687779717 572059749 /nfs/dbraw/zinc/05/97/49/572059749.db2.gz JIYGILRDKXUTCZ-GZMMTYOYSA-N 0 0 177.313 1.838 10 0 ADAERN CC(=O)[C@H](c1ccccc1)N(C)C 34171987 572059786 /nfs/dbraw/zinc/05/97/86/572059786.db2.gz NYHNTQHBVXHBAE-LLVKDONJSA-N 0 0 177.247 1.878 10 0 ADAERN CCO[C@@H](C)/C=C/CCO 34154289 572059808 /nfs/dbraw/zinc/05/98/08/572059808.db2.gz VFSFYBJVEPLLIJ-JQTRYQTASA-N 0 0 144.214 1.350 10 0 ADAERN C=C/C=C/[C@H](O)C(C)C 34165041 572059848 /nfs/dbraw/zinc/05/98/48/572059848.db2.gz CXLILFVNHGJUIZ-GJIOHYHPSA-N 0 0 126.199 1.746 10 0 ADAERN CC[C@H](CC(N)=S)n1cccn1 36678399 572059887 /nfs/dbraw/zinc/05/98/87/572059887.db2.gz NAJZEJKLAOYMMM-SSDOTTSWSA-N 0 0 183.280 1.510 10 0 ADAERN CC[C@H]1SC=C(C)NC1=O 34160039 572059889 /nfs/dbraw/zinc/05/98/89/572059889.db2.gz KFTDSKVAFVGEBB-ZCFIWIBFSA-N 0 0 157.238 1.489 10 0 ADAERN CC(C)[S@@](=O)NCc1ccncc1 687779298 572059891 /nfs/dbraw/zinc/05/98/91/572059891.db2.gz XVPPYLXAOMWHMV-CYBMUJFWSA-N 0 0 198.291 1.243 10 0 ADAERN CC1(C)CC(=O)N1CCC1(O)CCC1 687820764 572059903 /nfs/dbraw/zinc/05/99/03/572059903.db2.gz ATSKWNGFNIMWQZ-UHFFFAOYSA-N 0 0 197.278 1.302 10 0 ADAERN CC(=O)CCCC[N+](=O)[O-] 36437646 572059908 /nfs/dbraw/zinc/05/99/08/572059908.db2.gz VZARAWHEVYRXDZ-UHFFFAOYSA-N 0 0 145.158 1.022 10 0 ADAERN CC(=O)n1c(C)ccc1C 34165048 572059915 /nfs/dbraw/zinc/05/99/15/572059915.db2.gz RZDIHBBDVHUNSW-UHFFFAOYSA-N 0 0 137.182 1.765 10 0 ADAERN Nc1ccc(C(=S)S)cc1 34154416 572059937 /nfs/dbraw/zinc/05/99/37/572059937.db2.gz LHEZWIYBFWFTTB-UHFFFAOYSA-N 0 0 169.274 1.874 10 0 ADAERN CCNc1cc(F)ccc1O 71464709 572059944 /nfs/dbraw/zinc/05/99/44/572059944.db2.gz GNOHCOFPCSFQLB-UHFFFAOYSA-N 0 0 155.172 1.963 10 0 ADAERN C[C@@H]1C(=O)C[C@H]2C[C@@H]1OC2(C)C 34143724 572059955 /nfs/dbraw/zinc/05/99/55/572059955.db2.gz FVURRMVEAFTRGM-FJXKBIBVSA-N 0 0 168.236 1.779 10 0 ADAERN CCCN(CC(F)(F)F)C(N)=O 42767955 572059994 /nfs/dbraw/zinc/05/99/94/572059994.db2.gz BFVOBXLTVSSTSG-UHFFFAOYSA-N 0 0 184.161 1.339 10 0 ADAERN C[C@H](O)c1conc1Br 34157276 572060002 /nfs/dbraw/zinc/06/00/02/572060002.db2.gz FTGQTEZGYLHGCG-VKHMYHEASA-N 0 0 192.012 1.490 10 0 ADAERN COc1ccc([Si](C)(C)CO)cc1 196448121 572060003 /nfs/dbraw/zinc/06/00/03/572060003.db2.gz GMXWGOJPLXQHKK-UHFFFAOYSA-N 0 0 196.322 1.142 10 0 ADAERN Cc1cccc(C2=N[C@@H](C)ON2)c1 34156193 572060011 /nfs/dbraw/zinc/06/00/11/572060011.db2.gz FUWKQDNQOSPESF-MRVPVSSYSA-N 0 0 176.219 1.622 10 0 ADAERN COC(=O)c1c(C)cn2c1CCC2 34172538 572060040 /nfs/dbraw/zinc/06/00/40/572060040.db2.gz LYRQJKOFFANQMA-UHFFFAOYSA-N 0 0 179.219 1.529 10 0 ADAERN O=C(c1ccccc1)[C@H]1COCO1 34140232 572060052 /nfs/dbraw/zinc/06/00/52/572060052.db2.gz JDPDLMITLVAWKZ-SECBINFHSA-N 0 0 178.187 1.242 10 0 ADAERN CCCC[C@@H](C)N[S@@](=O)CC 687780098 572061479 /nfs/dbraw/zinc/06/14/79/572061479.db2.gz VDOGAJRBGMEXCT-KCJUWKMLSA-N 0 0 177.313 1.838 10 0 ADAERN CCCNC1=NC(=O)c2ccccc21 34142070 572060065 /nfs/dbraw/zinc/06/00/65/572060065.db2.gz QSTZXGCDGWTPCS-UHFFFAOYSA-N 0 0 188.230 1.587 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)NC(=O)C2 34157229 572060075 /nfs/dbraw/zinc/06/00/75/572060075.db2.gz RLZHPSSARXFRJU-GMSGAONNSA-N 0 0 167.252 1.701 10 0 ADAERN CCOc1ccc(C(N)=O)c(Cl)c1 71463793 572060100 /nfs/dbraw/zinc/06/01/00/572060100.db2.gz NYSRZAORNQYQIL-UHFFFAOYSA-N 0 0 199.637 1.838 10 0 ADAERN CC[C@@H](O)[C@@H](C)C(C)(C)O 34153537 572060121 /nfs/dbraw/zinc/06/01/21/572060121.db2.gz KOHSZBUMEHKSDK-RNFRBKRXSA-N 0 0 146.230 1.164 10 0 ADAERN CCOc1cc(=O)cc(N(C)C)[nH]1 34171568 572060141 /nfs/dbraw/zinc/06/01/41/572060141.db2.gz CXMQXEVLIREDPB-UHFFFAOYSA-N 0 0 182.223 1.252 10 0 ADAERN C/C=C/C[C@H](C)CO 34171083 572060278 /nfs/dbraw/zinc/06/02/78/572060278.db2.gz YQFHGAAWKWUCGM-SDLBARTOSA-N 0 0 114.188 1.581 10 0 ADAERN CCN1C(=N)c2ccccc2C1=O 34142067 572060301 /nfs/dbraw/zinc/06/03/01/572060301.db2.gz AWFPHEJBWMYZLX-UHFFFAOYSA-N 0 0 174.203 1.488 10 0 ADAERN C=CC(=O)N(C)Cc1ccc(C)o1 36334983 572060283 /nfs/dbraw/zinc/06/02/83/572060283.db2.gz VVZOPYAMEOQZBX-UHFFFAOYSA-N 0 0 179.219 1.732 10 0 ADAERN Cc1cc2n(c1C)CCC(=O)N2 34160497 572060287 /nfs/dbraw/zinc/06/02/87/572060287.db2.gz VERKITMQPMAMJV-UHFFFAOYSA-N 0 0 164.208 1.447 10 0 ADAERN CCO[C@H]1C[C@@H](C)C=C(CO)O1 34144178 572060411 /nfs/dbraw/zinc/06/04/11/572060411.db2.gz SFMWCGIXRXJFRO-IONNQARKSA-N 0 0 172.224 1.282 10 0 ADAERN CC(C)[S@](=O)N(C)c1ccccn1 687779293 572060323 /nfs/dbraw/zinc/06/03/23/572060323.db2.gz XTODDEDYNLCOJU-ZDUSSCGKSA-N 0 0 198.291 1.590 10 0 ADAERN CCOCc1ccc(CO)o1 34156274 572060338 /nfs/dbraw/zinc/06/03/38/572060338.db2.gz PWKAMVGLPNBYPI-UHFFFAOYSA-N 0 0 156.181 1.308 10 0 ADAERN CC[C@@H](C)[C@@H](O)CCCO 34161374 572060355 /nfs/dbraw/zinc/06/03/55/572060355.db2.gz MAFZESLKUFXGHA-SFYZADRCSA-N 0 0 146.230 1.166 10 0 ADAERN CC1=CS[C@H](C)C(=O)N1 34160037 572060368 /nfs/dbraw/zinc/06/03/68/572060368.db2.gz RBNXMTOZKQODFE-RXMQYKEDSA-N 0 0 143.211 1.099 10 0 ADAERN CC[C@H](O)[C@H](C)C(C)(C)O 34153539 572060456 /nfs/dbraw/zinc/06/04/56/572060456.db2.gz KOHSZBUMEHKSDK-BQBZGAKWSA-N 0 0 146.230 1.164 10 0 ADAERN CC(C)(C)NC(=O)NCl 34154112 572060463 /nfs/dbraw/zinc/06/04/63/572060463.db2.gz DIOZYZINGHPLSG-UHFFFAOYSA-N 0 0 150.609 1.238 10 0 ADAERN COC(=O)CCNc1ccccc1F 36671223 572060475 /nfs/dbraw/zinc/06/04/75/572060475.db2.gz YSTHEUUUUIAXJX-UHFFFAOYSA-N 0 0 197.209 1.801 10 0 ADAERN C=Cn1cnc(C)c1 34161133 572060494 /nfs/dbraw/zinc/06/04/94/572060494.db2.gz MMFCEMSIUPCRLD-UHFFFAOYSA-N 0 0 108.144 1.292 10 0 ADAERN O=c1cc(C(F)(F)Cl)cc[nH]1 34169157 572060544 /nfs/dbraw/zinc/06/05/44/572060544.db2.gz FCXILUSNXORIHZ-UHFFFAOYSA-N 0 0 179.553 1.663 10 0 ADAERN C=CNC(=O)Cc1ccccc1 34161520 572060572 /nfs/dbraw/zinc/06/05/72/572060572.db2.gz IQVLNQNLISXIOS-UHFFFAOYSA-N 0 0 161.204 1.489 10 0 ADAERN OCCCCNc1ccccc1 34143559 572060583 /nfs/dbraw/zinc/06/05/83/572060583.db2.gz ZGPMXJWYRKMUHY-UHFFFAOYSA-N 0 0 165.236 1.871 10 0 ADAERN C=CC(=O)NCCCCCC 36334676 572060592 /nfs/dbraw/zinc/06/05/92/572060592.db2.gz GCGQYJSQINRKQL-UHFFFAOYSA-N 0 0 155.241 1.869 10 0 ADAERN COC/C=C1/CCC[C@@H]1O 34159939 572060598 /nfs/dbraw/zinc/06/05/98/572060598.db2.gz XVKZSMRNFHRSKF-TVSKSKRASA-N 0 0 142.198 1.104 10 0 ADAERN CCC(=CCO)CC 34165498 572060609 /nfs/dbraw/zinc/06/06/09/572060609.db2.gz PUCCIVZQJKKAET-UHFFFAOYSA-N 0 0 114.188 1.725 10 0 ADAERN CC[C@@H](C)[C@H](O)CCCO 34161372 572060612 /nfs/dbraw/zinc/06/06/12/572060612.db2.gz MAFZESLKUFXGHA-HTQZYQBOSA-N 0 0 146.230 1.166 10 0 ADAERN C=CC(=O)N(C)C(CC)CC 36335020 572060624 /nfs/dbraw/zinc/06/06/24/572060624.db2.gz JSCQNMPCVUFBKM-UHFFFAOYSA-N 0 0 155.241 1.819 10 0 ADAERN C=C/C=C/[C@@H](O)C(C)C 34165040 572060631 /nfs/dbraw/zinc/06/06/31/572060631.db2.gz CXLILFVNHGJUIZ-HQZHTGGTSA-N 0 0 126.199 1.746 10 0 ADAERN CCNc1n[nH]c2ccccc12 34160055 572060635 /nfs/dbraw/zinc/06/06/35/572060635.db2.gz LQOUSGCPXCBABO-UHFFFAOYSA-N 0 0 161.208 1.995 10 0 ADAERN O[C@H]1CSc2sccc2C1 34144122 572060639 /nfs/dbraw/zinc/06/06/39/572060639.db2.gz SHVCMSULSPJPQH-ZCFIWIBFSA-N 0 0 172.274 1.757 10 0 ADAERN C[C@@H](O)c1conc1Br 34157277 572060640 /nfs/dbraw/zinc/06/06/40/572060640.db2.gz FTGQTEZGYLHGCG-GSVOUGTGSA-N 0 0 192.012 1.490 10 0 ADAERN C[C@H]1ON=C(c2ccccc2)[C@@H]1CO 34164960 572060663 /nfs/dbraw/zinc/06/06/63/572060663.db2.gz QWFAETMJOJOHMV-PSASIEDQSA-N 0 0 191.230 1.418 10 0 ADAERN c1cc2c[nH]cc2cn1 34144238 572060665 /nfs/dbraw/zinc/06/06/65/572060665.db2.gz NYVQCSJKUKTWRU-UHFFFAOYSA-N 0 0 118.139 1.563 10 0 ADAERN C[NH+](C)C1CCC(CC(=O)[O-])CC1 34156963 572060668 /nfs/dbraw/zinc/06/06/68/572060668.db2.gz SEGNJFZEQXZHAF-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1CC(=O)c2cc(N)c(F)cc2O1 34168405 572060675 /nfs/dbraw/zinc/06/06/75/572060675.db2.gz NFOUHNMYNMCXRK-RXMQYKEDSA-N 0 0 195.193 1.762 10 0 ADAERN COC(=O)CCSCCCCO 36336532 572060677 /nfs/dbraw/zinc/06/06/77/572060677.db2.gz KYQHYUZSUZEAHH-UHFFFAOYSA-N 0 0 192.280 1.055 10 0 ADAERN C[C@@H]1OC(=O)OC[C@H]1C 34142495 572060706 /nfs/dbraw/zinc/06/07/06/572060706.db2.gz ZUBVBRAWCGZYMQ-UHNVWZDZSA-N 0 0 130.143 1.178 10 0 ADAERN c1ccc2c(c1)CN1CSC[C@@H]1N2 34153349 572060710 /nfs/dbraw/zinc/06/07/10/572060710.db2.gz GILKPOPEPDOFRD-SNVBAGLBSA-N 0 0 192.287 1.945 10 0 ADAERN CC[C@@H]1SC=C(C)NC1=O 34160040 572060716 /nfs/dbraw/zinc/06/07/16/572060716.db2.gz KFTDSKVAFVGEBB-LURJTMIESA-N 0 0 157.238 1.489 10 0 ADAERN OCc1cc(Cl)c(O)c(CO)c1 34165921 572060730 /nfs/dbraw/zinc/06/07/30/572060730.db2.gz AONNUJLOCLHEIW-UHFFFAOYSA-N 0 0 188.610 1.030 10 0 in-vitro ADAERN O=C1NCc2cc(Cl)ccc2N1 196443324 572060746 /nfs/dbraw/zinc/06/07/46/572060746.db2.gz IZQMFHKDSGFZOO-UHFFFAOYSA-N 0 0 182.610 1.975 10 0 ADAERN CSC(=S)[C@@H](C)[C@H](C)O 34165061 572060751 /nfs/dbraw/zinc/06/07/51/572060751.db2.gz LJTFWQJGSCALJC-WHFBIAKZSA-N 0 0 164.295 1.694 10 0 ADAERN O=C(c1ccccc1)[C@@H]1COCO1 34140231 572060766 /nfs/dbraw/zinc/06/07/66/572060766.db2.gz JDPDLMITLVAWKZ-VIFPVBQESA-N 0 0 178.187 1.242 10 0 ADAERN CC(=O)CCC(=O)[C@H]1CCCOC1 82580600 572060773 /nfs/dbraw/zinc/06/07/73/572060773.db2.gz APYJTQSQCSYIKD-VIFPVBQESA-N 0 0 184.235 1.351 10 0 ADAERN CCO[C@H]1C[C@H](C)C=C(CO)O1 34144176 572060777 /nfs/dbraw/zinc/06/07/77/572060777.db2.gz SFMWCGIXRXJFRO-VXNVDRBHSA-N 0 0 172.224 1.282 10 0 ADAERN CC[C@H](O)c1oc(N)nc1C 34165011 572060782 /nfs/dbraw/zinc/06/07/82/572060782.db2.gz DIYLGPREHHBLLA-YFKPBYRVSA-N 0 0 156.185 1.009 10 0 ADAERN CC(C)(O)c1ccccc1NC=O 196442820 572060786 /nfs/dbraw/zinc/06/07/86/572060786.db2.gz GRBWFPCKKHRLKI-UHFFFAOYSA-N 0 0 179.219 1.482 10 0 ADAERN CC[C@@H](O)[C@H](C)C(C)(C)O 34153541 572060805 /nfs/dbraw/zinc/06/08/05/572060805.db2.gz KOHSZBUMEHKSDK-NKWVEPMBSA-N 0 0 146.230 1.164 10 0 ADAERN N#CNC1=NC[C@H](c2ccccc2)O1 34163517 572060807 /nfs/dbraw/zinc/06/08/07/572060807.db2.gz PGHSFYNJJOCTKL-SECBINFHSA-N 0 0 187.202 1.185 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XEDZAKFUSLLRKW-HTQZYQBOSA-N 0 0 128.215 1.948 10 0 ADAERN CC(C)[C@@H]1C[C@H]1O 34300988 572072794 /nfs/dbraw/zinc/07/27/94/572072794.db2.gz IKTIMEBIJIVVLG-NTSWFWBYSA-N 0 0 100.161 1.023 10 0 ADAERN C=C/C=C/CC[C@H](C)O 34317051 572072835 /nfs/dbraw/zinc/07/28/35/572072835.db2.gz KCNYHWSXXQYEMG-ZJELKQJVSA-N 0 0 126.199 1.890 10 0 ADAERN CO[C@H](C)CCCCO 34311112 572072851 /nfs/dbraw/zinc/07/28/51/572072851.db2.gz MJSWVBQUHWPEDW-SSDOTTSWSA-N 0 0 132.203 1.184 10 0 ADAERN CCOCCn1nc(C)c(C=O)c1C 36867988 572072859 /nfs/dbraw/zinc/07/28/59/572072859.db2.gz RQALPFFDCZASIG-UHFFFAOYSA-N 0 0 196.250 1.349 10 0 ADAERN C[C@@H]1CC[C@H]([C@]2(C)CO2)C(=O)C1 34294911 572072860 /nfs/dbraw/zinc/07/28/60/572072860.db2.gz JBFLYBPXZGMOHN-WEDXCCLWSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1C[C@@H]1C[N@H+](C)CCCCC(=O)[O-] 82648935 572072867 /nfs/dbraw/zinc/07/28/67/572072867.db2.gz FAHYAPWKNDYLPX-NXEZZACHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](O)CC/C=C\Cl 145753734 572072877 /nfs/dbraw/zinc/07/28/77/572072877.db2.gz YFPVONFHYLUABH-LMXCLXGDSA-N 0 0 134.606 1.900 10 0 ADAERN Cc1cnnc(S[C@@H](C)CCO)c1 235104924 572072890 /nfs/dbraw/zinc/07/28/90/572072890.db2.gz JNVYVQNJBRNUQE-QMMMGPOBSA-N 0 0 198.291 1.648 10 0 ADAERN OC/C=C/[C@H]1CCCCO1 34310466 572072895 /nfs/dbraw/zinc/07/28/95/572072895.db2.gz RSXDQRYEJFNDEM-RYEJSQLPSA-N 0 0 142.198 1.104 10 0 ADAERN CC(C)[C@]1(CO)CCC[C@H]1O 34303165 572073067 /nfs/dbraw/zinc/07/30/67/572073067.db2.gz QTBIZICXTQXBJR-RKDXNWHRSA-N 0 0 158.241 1.166 10 0 ADAERN Nc1ncnc2nc(Cl)sc12 34307161 572073108 /nfs/dbraw/zinc/07/31/08/572073108.db2.gz ZYBSHUFTHAOMSD-UHFFFAOYSA-N 0 0 186.627 1.322 10 0 ADAERN O=C1CO[C@H]2Oc3ccccc3[C@@H]12 34303108 572073127 /nfs/dbraw/zinc/07/31/27/572073127.db2.gz GFSDKGAJDZYMFS-UWVGGRQHSA-N 0 0 176.171 1.088 10 0 ADAERN CSC(=O)c1ccccc1O 34317374 572073139 /nfs/dbraw/zinc/07/31/39/572073139.db2.gz QAYRXLPAULKQKU-UHFFFAOYSA-N 0 0 168.217 1.895 10 0 ADAERN Cc1nc2c(C=O)cccn2c1C 34327131 572073145 /nfs/dbraw/zinc/07/31/45/572073145.db2.gz BECVAYJCTKQHEG-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN Cc1cc(CO)ccc1SCCO 82616898 572073350 /nfs/dbraw/zinc/07/33/50/572073350.db2.gz FJMQSEZKJDDYJM-UHFFFAOYSA-N 0 0 198.287 1.572 10 0 ADAERN Cc1cc2c(cc1[C@H](C)O)OCO2 34307862 572073150 /nfs/dbraw/zinc/07/31/50/572073150.db2.gz MZHMLCOCHWLLMD-ZETCQYMHSA-N 0 0 180.203 1.777 10 0 ADAERN c1ccc(CNCc2cc[nH]n2)nc1 36900075 572073151 /nfs/dbraw/zinc/07/31/51/572073151.db2.gz CZFDBRHIIHARHM-UHFFFAOYSA-N 0 0 188.234 1.095 10 0 ADAERN O=C(CF)C(F)(F)Cl 34294976 572073352 /nfs/dbraw/zinc/07/33/52/572073352.db2.gz LEXFKLFUAWVFGK-UHFFFAOYSA-N 0 0 146.495 1.357 10 0 ADAERN CCc1n(O)c2ccccc2[n+]1[O-] 34317531 572073213 /nfs/dbraw/zinc/07/32/13/572073213.db2.gz PLARONKAROLRIJ-UHFFFAOYSA-N 0 0 178.191 1.074 10 0 ADAERN OC[C@H]1CCc2sccc2C1 34306639 572073234 /nfs/dbraw/zinc/07/32/34/572073234.db2.gz LUBVPWQYXGVEPY-ZETCQYMHSA-N 0 0 168.261 1.845 10 0 ADAERN CC[S@@](=O)N(C)[C@H]1CCSC1 687780746 572073257 /nfs/dbraw/zinc/07/32/57/572073257.db2.gz VHDKUIZFEKJEDV-WRWORJQWSA-N 0 0 193.337 1.107 10 0 ADAERN CCc1c(C)cnc2ccnn12 34303268 572073273 /nfs/dbraw/zinc/07/32/73/572073273.db2.gz ZMRVZKIRMJNXTB-UHFFFAOYSA-N 0 0 161.208 1.600 10 0 ADAERN CCN(C(=O)Cn1cccc1)C1CC1 82615151 572073340 /nfs/dbraw/zinc/07/33/40/572073340.db2.gz ALHXNRLYOHKNML-UHFFFAOYSA-N 0 0 192.262 1.499 10 0 ADAERN CC[S@](=O)N(C)[C@@H]1CCSC1 687780744 572073347 /nfs/dbraw/zinc/07/33/47/572073347.db2.gz VHDKUIZFEKJEDV-HQJQHLMTSA-N 0 0 193.337 1.107 10 0 ADAERN CN(C(=O)Cn1cccc1)C1CC1 82615175 572073456 /nfs/dbraw/zinc/07/34/56/572073456.db2.gz VSYDQUQFWNZHNS-UHFFFAOYSA-N 0 0 178.235 1.109 10 0 ADAERN COC(=O)[C@@H](C)NCC1(C)CCCC1 82625408 572073495 /nfs/dbraw/zinc/07/34/95/572073495.db2.gz LPRYWSYVOJDHAT-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CC(C)[C@@H](C)NC(=O)Cn1cccc1 82615163 572073532 /nfs/dbraw/zinc/07/35/32/572073532.db2.gz HJXKYPLEHUMXOC-SNVBAGLBSA-N 0 0 194.278 1.649 10 0 ADAERN CC[C@H](C)[C@@H]1CC=CNC1=O 34330311 572073615 /nfs/dbraw/zinc/07/36/15/572073615.db2.gz CRAZPQAJKJGXSG-YUMQZZPRSA-N 0 0 153.225 1.682 10 0 ADAERN c1cnn(CCCn2ccnc2)c1 82615007 572073566 /nfs/dbraw/zinc/07/35/66/572073566.db2.gz DPVQHSNGOONBGY-UHFFFAOYSA-N 0 0 176.223 1.170 10 0 ADAERN Cc1nc2ccccc(N)c-2n1 34353748 572073582 /nfs/dbraw/zinc/07/35/82/572073582.db2.gz LULLQOUIVWHCRT-UHFFFAOYSA-N 0 0 159.192 1.472 10 0 ADAERN COC(=O)c1c(C)cc(C)n1C(C)=O 34329740 572073643 /nfs/dbraw/zinc/07/36/43/572073643.db2.gz QBZVHNOTUGQKRK-UHFFFAOYSA-N 0 0 195.218 1.552 10 0 ADAERN OCCSc1ccc(CO)cc1 82616900 572073716 /nfs/dbraw/zinc/07/37/16/572073716.db2.gz KMTKJHLZRKCUJJ-UHFFFAOYSA-N 0 0 184.260 1.263 10 0 ADAERN CSc1nc2ccccc(N)c-2n1 34353756 572073729 /nfs/dbraw/zinc/07/37/29/572073729.db2.gz CMYMWDFPCCJLCT-UHFFFAOYSA-N 0 0 191.259 1.886 10 0 ADAERN CCC1=NC(C)(C)C(=O)O1 34346946 572073731 /nfs/dbraw/zinc/07/37/31/572073731.db2.gz YGFHISWMENSEAP-UHFFFAOYSA-N 0 0 141.170 1.130 10 0 ADAERN COC(=O)Cc1c[nH]c(C)c1 34337575 572073736 /nfs/dbraw/zinc/07/37/36/572073736.db2.gz KSRVRKJZYOAYHK-UHFFFAOYSA-N 0 0 153.181 1.039 10 0 ADAERN C[NH+](C)CCOc1ccccc1O 36896826 572073742 /nfs/dbraw/zinc/07/37/42/572073742.db2.gz RZBNVKABGYIPRU-UHFFFAOYSA-N 0 0 181.235 1.333 10 0 ADAERN COC(=O)[C@H](C)NCC1(C)CCCC1 82625407 572073743 /nfs/dbraw/zinc/07/37/43/572073743.db2.gz LPRYWSYVOJDHAT-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCOCCC(=O)Cc1ccccn1 36890193 572073762 /nfs/dbraw/zinc/07/37/62/572073762.db2.gz ICSYIWXBJGCDDP-UHFFFAOYSA-N 0 0 193.246 1.620 10 0 ADAERN CC(C)[C@H]1CC=CNC1=O 34330309 572073783 /nfs/dbraw/zinc/07/37/83/572073783.db2.gz KHCFSPMJDXJMNE-SSDOTTSWSA-N 0 0 139.198 1.292 10 0 ADAERN CC(C)N(C)C(=O)Cn1cccc1 82615152 572073828 /nfs/dbraw/zinc/07/38/28/572073828.db2.gz JIQKXTMRWRWCLN-UHFFFAOYSA-N 0 0 180.251 1.355 10 0 ADAERN CCCNC(=O)[C@@H](C)n1ccnc1C 82615307 572073833 /nfs/dbraw/zinc/07/38/33/572073833.db2.gz NJWMJUQVJJPRCN-MRVPVSSYSA-N 0 0 195.266 1.279 10 0 ADAERN COCCSc1ccc(CO)cc1 82616794 572073812 /nfs/dbraw/zinc/07/38/12/572073812.db2.gz HOMLBATUTAQSEI-UHFFFAOYSA-N 0 0 198.287 1.917 10 0 ADAERN C[C@@H](O)[C@H](O)C1CCCCC1 34349682 572073845 /nfs/dbraw/zinc/07/38/45/572073845.db2.gz PSRQIJMEXPZYEO-APPZFPTMSA-N 0 0 158.241 1.308 10 0 ADAERN Cc1cc(N)cc2c1NC(=O)CC2 34332152 572073854 /nfs/dbraw/zinc/07/38/54/572073854.db2.gz BLDNVMJWCHPBCM-UHFFFAOYSA-N 0 0 176.219 1.462 10 0 ADAERN CCn1nncc1CC[C@@H](O)C1CC1 300928371 572073892 /nfs/dbraw/zinc/07/38/92/572073892.db2.gz USIMHWNKYPKSMV-SNVBAGLBSA-N 0 0 195.266 1.002 10 0 ADAERN C/C=C/C[N@@H+](CC(=O)[O-])CC1CC1 36885958 572073905 /nfs/dbraw/zinc/07/39/05/572073905.db2.gz PYDWTJFXJNLMRE-NSCUHMNNSA-N 0 0 183.251 1.359 10 0 ADAERN O=c1[nH]ccc2oc3cccnc3c12 34332957 572073907 /nfs/dbraw/zinc/07/39/07/572073907.db2.gz JBDZWXSKLBHDIF-UHFFFAOYSA-N 0 0 186.170 1.669 10 0 ADAERN CCO[C@@H]1O[C@]12CCCCC2=O 34354993 572073924 /nfs/dbraw/zinc/07/39/24/572073924.db2.gz PRUXBSFLNVNQQF-BDAKNGLRSA-N 0 0 170.208 1.261 10 0 ADAERN C=COCCCNCc1csnn1 36902135 572073930 /nfs/dbraw/zinc/07/39/30/572073930.db2.gz WYKLLJKHXVUOIO-UHFFFAOYSA-N 0 0 199.279 1.178 10 0 ADAERN C[C@@H](O)c1ccccc1SCCO 82616879 572074110 /nfs/dbraw/zinc/07/41/10/572074110.db2.gz ZSXWBAYGYMITQK-MRVPVSSYSA-N 0 0 198.287 1.824 10 0 ADAERN Cc1nc(Cl)c(C)[nH]1 34333649 572073958 /nfs/dbraw/zinc/07/39/58/572073958.db2.gz FFQPJLIVBIRGSR-UHFFFAOYSA-N 0 0 130.578 1.680 10 0 ADAERN CCc1cc[nH]c1C 34354511 572073963 /nfs/dbraw/zinc/07/39/63/572073963.db2.gz ANKAJVAEJOORQT-UHFFFAOYSA-N 0 0 109.172 1.886 10 0 ADAERN O=C1C[C@@H](CCO)c2ccccc2N1 34331664 572073972 /nfs/dbraw/zinc/07/39/72/572073972.db2.gz HAFFANOEWVBHRX-MRVPVSSYSA-N 0 0 191.230 1.495 10 0 ADAERN COC(=O)CC[NH2+]Cc1ccsc1 36891800 572074004 /nfs/dbraw/zinc/07/40/04/572074004.db2.gz DLUZPKDUUZSTNU-UHFFFAOYSA-N 0 0 199.275 1.401 10 0 ADAERN C[C@@H](O)c1ccc(SCCO)cc1 82616887 572074018 /nfs/dbraw/zinc/07/40/18/572074018.db2.gz SFRAXBMYAFBQPZ-MRVPVSSYSA-N 0 0 198.287 1.824 10 0 ADAERN COc1cc([C@H](C)O)c(Cl)nn1 34345754 572074037 /nfs/dbraw/zinc/07/40/37/572074037.db2.gz IJEINNKRYUPNBY-BYPYZUCNSA-N 0 0 188.614 1.192 10 0 ADAERN CCOC(=O)Nc1ccc(N)c(O)c1 34355321 572074082 /nfs/dbraw/zinc/07/40/82/572074082.db2.gz NKKHEEPEPQOTOX-UHFFFAOYSA-N 0 0 196.206 1.543 10 0 ADAERN CCC(CC)NC(=O)Cn1cccc1 82615174 572074063 /nfs/dbraw/zinc/07/40/63/572074063.db2.gz LVNCUPQTMICUOW-UHFFFAOYSA-N 0 0 194.278 1.793 10 0 ADAERN C[C@H](O)c1ccc(SCCO)cc1 82616894 572074070 /nfs/dbraw/zinc/07/40/70/572074070.db2.gz SFRAXBMYAFBQPZ-QMMMGPOBSA-N 0 0 198.287 1.824 10 0 ADAERN N#CNCCOC1CCCCC1 82627503 572074088 /nfs/dbraw/zinc/07/40/88/572074088.db2.gz SCQSXJOKGLTPLO-UHFFFAOYSA-N 0 0 168.240 1.406 10 0 ADAERN Cc1cc(=O)c2c(n1C)CCCC2 34353569 572074119 /nfs/dbraw/zinc/07/41/19/572074119.db2.gz VOOLJMNAUDBGMA-UHFFFAOYSA-N 0 0 177.247 1.573 10 0 ADAERN NC(=O)c1ccc2ccccc2c1N 34345300 572074177 /nfs/dbraw/zinc/07/41/77/572074177.db2.gz HCOJHOQYVZPATP-UHFFFAOYSA-N 0 0 186.214 1.521 10 0 ADAERN C[C@@H](O)[C@@H](O)C1CCCCC1 34349684 572074193 /nfs/dbraw/zinc/07/41/93/572074193.db2.gz PSRQIJMEXPZYEO-VXNVDRBHSA-N 0 0 158.241 1.308 10 0 ADAERN CC(C)CCOCCn1cccn1 82614991 572074205 /nfs/dbraw/zinc/07/42/05/572074205.db2.gz CLEPMGAPNROPTK-UHFFFAOYSA-N 0 0 182.267 1.946 10 0 ADAERN CCCCOCCn1cccn1 82615055 572074583 /nfs/dbraw/zinc/07/45/83/572074583.db2.gz AWWIATRHZYOGKW-UHFFFAOYSA-N 0 0 168.240 1.700 10 0 ADAERN Cc1ccc(=O)n(-c2ccco2)c1 34333998 572074292 /nfs/dbraw/zinc/07/42/92/572074292.db2.gz KOWGWQDZVZXQFA-UHFFFAOYSA-N 0 0 175.187 1.739 10 0 ADAERN CCO[C@@H]1O[C@@]12CCCCC2=O 34354990 572074307 /nfs/dbraw/zinc/07/43/07/572074307.db2.gz PRUXBSFLNVNQQF-RKDXNWHRSA-N 0 0 170.208 1.261 10 0 ADAERN CC[C@@H](C)c1ccc[nH]c1=O 34330346 572074339 /nfs/dbraw/zinc/07/43/39/572074339.db2.gz LDNAPZAUTBFOKW-SSDOTTSWSA-N 0 0 151.209 1.888 10 0 ADAERN CC[C@H](C)[C@H]1CC=CNC1=O 34330313 572074344 /nfs/dbraw/zinc/07/43/44/572074344.db2.gz CRAZPQAJKJGXSG-JGVFFNPUSA-N 0 0 153.225 1.682 10 0 ADAERN C[C@@]12CC[C@@H](C1)C2=O 34342990 572074350 /nfs/dbraw/zinc/07/43/50/572074350.db2.gz QPSSRPWPQVXKTR-CAHLUQPWSA-N 0 0 110.156 1.376 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CO1 34344374 572074365 /nfs/dbraw/zinc/07/43/65/572074365.db2.gz GINWYUOCRTYEEM-YFKPBYRVSA-N 0 0 128.171 1.000 10 0 ADAERN Cc1cccc2cc(N)c(=O)[nH]c12 34332144 572074388 /nfs/dbraw/zinc/07/43/88/572074388.db2.gz CQZRGQILGPJTNX-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN CONC(=O)C[C@H](C)C(C)(C)C 82618914 572074401 /nfs/dbraw/zinc/07/44/01/572074401.db2.gz WHOYEGGWRDXUIV-ZETCQYMHSA-N 0 0 173.256 1.736 10 0 ADAERN O=c1[nH]ccc2oc3ncccc3c12 34332956 572074409 /nfs/dbraw/zinc/07/44/09/572074409.db2.gz JRCSRSWQTXKESH-UHFFFAOYSA-N 0 0 186.170 1.669 10 0 ADAERN C[C@@H](CO)[S@@](=O)c1ccccc1 34355055 572074421 /nfs/dbraw/zinc/07/44/21/572074421.db2.gz GFIRKSGDZPIQGM-UFBFGSQYSA-N 0 0 184.260 1.175 10 0 ADAERN CO[C@@H]1CCNc2c(CO)cccc21 34345842 572074427 /nfs/dbraw/zinc/07/44/27/572074427.db2.gz OSAMUSVEVPLGFY-SNVBAGLBSA-N 0 0 193.246 1.682 10 0 ADAERN COc1cc([C@@H](C)O)c(Cl)nn1 34345755 572074436 /nfs/dbraw/zinc/07/44/36/572074436.db2.gz IJEINNKRYUPNBY-SCSAIBSYSA-N 0 0 188.614 1.192 10 0 ADAERN Nc1cc(=O)n2c3c(cccc13)CC2 34333669 572074439 /nfs/dbraw/zinc/07/44/39/572074439.db2.gz ZDPYZCJMSPGZHM-UHFFFAOYSA-N 0 0 186.214 1.140 10 0 ADAERN COC[C@@H](CO)OCc1ccccc1 34349111 572074459 /nfs/dbraw/zinc/07/44/59/572074459.db2.gz OPGDPALMUNOHNY-LLVKDONJSA-N 0 0 196.246 1.211 10 0 ADAERN COCCOc1ccccc1O 36896832 572074464 /nfs/dbraw/zinc/07/44/64/572074464.db2.gz KWZJUYRNLOMDTH-UHFFFAOYSA-N 0 0 168.192 1.417 10 0 ADAERN OCCCCCn1cccc1 82615182 572074466 /nfs/dbraw/zinc/07/44/66/572074466.db2.gz BOIVZQXPOBOLET-UHFFFAOYSA-N 0 0 153.225 1.651 10 0 ADAERN C=CCCOc1ccnc(C(=O)[O-])c1 36896320 572074489 /nfs/dbraw/zinc/07/44/89/572074489.db2.gz HDKSCKKXFZHUMN-UHFFFAOYSA-N 0 0 193.202 1.735 10 0 ADAERN CC(C)COc1ccnc(C(=O)[O-])c1 36896288 572074509 /nfs/dbraw/zinc/07/45/09/572074509.db2.gz QNMMRYICCGZUAW-UHFFFAOYSA-N 0 0 195.218 1.815 10 0 ADAERN CC(C)CCOCCn1ccnc1 82615247 572074547 /nfs/dbraw/zinc/07/45/47/572074547.db2.gz AKJZEZHJUCQSSK-UHFFFAOYSA-N 0 0 182.267 1.946 10 0 ADAERN Cc1c(O)cccc1OCC[NH+](C)C 36896590 572074620 /nfs/dbraw/zinc/07/46/20/572074620.db2.gz QVHNGICJALMCND-UHFFFAOYSA-N 0 0 195.262 1.641 10 0 ADAERN COc1ccc(F)c2c1CC(=O)CC2 34334362 572074633 /nfs/dbraw/zinc/07/46/33/572074633.db2.gz KCDMGLHWIOFBOD-UHFFFAOYSA-N 0 0 194.205 1.892 10 0 ADAERN CC1(C[NH2+]CC(=O)[O-])CCCC1 82625427 572074651 /nfs/dbraw/zinc/07/46/51/572074651.db2.gz TVDAKRZMIXOOHH-UHFFFAOYSA-N 0 0 171.240 1.241 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CO1 34344375 572074607 /nfs/dbraw/zinc/07/46/07/572074607.db2.gz GINWYUOCRTYEEM-RXMQYKEDSA-N 0 0 128.171 1.000 10 0 ADAERN CC(C)CCOCCn1cncn1 82615492 572074611 /nfs/dbraw/zinc/07/46/11/572074611.db2.gz FNNSHQBHOQHVLJ-UHFFFAOYSA-N 0 0 183.255 1.341 10 0 ADAERN CCOC(=O)Nn1cccc1 34328799 572074674 /nfs/dbraw/zinc/07/46/74/572074674.db2.gz ULSVSZXKZSWHEQ-UHFFFAOYSA-N 0 0 154.169 1.188 10 0 ADAERN CCn1nncc1CC[C@H](O)C1CC1 300928369 572074678 /nfs/dbraw/zinc/07/46/78/572074678.db2.gz USIMHWNKYPKSMV-JTQLQIEISA-N 0 0 195.266 1.002 10 0 ADAERN Nc1cnc(NC[C@H]2C=CCC2)nc1 711677362 572074682 /nfs/dbraw/zinc/07/46/82/572074682.db2.gz ARHOTLSSMKFZBX-QMMMGPOBSA-N 0 0 190.250 1.437 10 0 ADAERN CCCCOCCn1cncn1 82615441 572074771 /nfs/dbraw/zinc/07/47/71/572074771.db2.gz GZBUUVYRGMDLGW-UHFFFAOYSA-N 0 0 169.228 1.095 10 0 ADAERN COC(=O)CC[NH2+]Cc1ccc(C)o1 36891802 572074763 /nfs/dbraw/zinc/07/47/63/572074763.db2.gz DCSWLIDJMAZALR-UHFFFAOYSA-N 0 0 197.234 1.241 10 0 ADAERN OCCO[C@H]1C[C@H]2CC[C@@H]1C2 34347010 572074785 /nfs/dbraw/zinc/07/47/85/572074785.db2.gz JALJOOCCYVEBEW-YIZRAAEISA-N 0 0 156.225 1.184 10 0 ADAERN O=c1[nH]ccc2oc3cnccc3c12 34332958 572074797 /nfs/dbraw/zinc/07/47/97/572074797.db2.gz RBTZVDFUHCYAPQ-UHFFFAOYSA-N 0 0 186.170 1.669 10 0 ADAERN O=c1[nH]ccc2oc3ccncc3c12 34332959 572074823 /nfs/dbraw/zinc/07/48/23/572074823.db2.gz RMMHIEDCASJVJD-UHFFFAOYSA-N 0 0 186.170 1.669 10 0 ADAERN COC[C@H](CO)OCc1ccccc1 34349112 572074837 /nfs/dbraw/zinc/07/48/37/572074837.db2.gz OPGDPALMUNOHNY-NSHDSACASA-N 0 0 196.246 1.211 10 0 ADAERN C[C@H](O)[C@H](O)C1CCCCC1 34349681 572074859 /nfs/dbraw/zinc/07/48/59/572074859.db2.gz PSRQIJMEXPZYEO-CBAPKCEASA-N 0 0 158.241 1.308 10 0 ADAERN CCOC(=O)C1=CCC[C@@H]1C 34332464 572074864 /nfs/dbraw/zinc/07/48/64/572074864.db2.gz LQRJYAIQQUEKBQ-ZETCQYMHSA-N 0 0 154.209 1.906 10 0 ADAERN CC(=O)Nc1oc(C)nc1C 34354457 572074869 /nfs/dbraw/zinc/07/48/69/572074869.db2.gz BRPYNPYHISGNRN-UHFFFAOYSA-N 0 0 154.169 1.250 10 0 ADAERN CC(C)[C@@H]1CC=CNC1=O 34330308 572074875 /nfs/dbraw/zinc/07/48/75/572074875.db2.gz KHCFSPMJDXJMNE-ZETCQYMHSA-N 0 0 139.198 1.292 10 0 ADAERN CC(=O)Nc1ccc(C=O)c(F)c1F 34330900 572074901 /nfs/dbraw/zinc/07/49/01/572074901.db2.gz MXUBWIAEWUKPLY-UHFFFAOYSA-N 0 0 199.156 1.736 10 0 ADAERN CCOC(=O)CNCC1(C)CCCC1 82625442 572074906 /nfs/dbraw/zinc/07/49/06/572074906.db2.gz WAOYPVKXNLVLLO-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CC1=C[C@H]2CC(=O)[C@@H]3CCC[C@@]13O2 34343101 572074916 /nfs/dbraw/zinc/07/49/16/572074916.db2.gz VIHBCXNPIWELEG-ATZCPNFKSA-N 0 0 178.231 1.843 10 0 ADAERN c1c[nH]c(CNCc2cscn2)c1 82625938 572074971 /nfs/dbraw/zinc/07/49/71/572074971.db2.gz PHJPYGHNFRJNHP-UHFFFAOYSA-N 0 0 193.275 1.761 10 0 ADAERN COCCSc1ccccc1CO 82616796 572074977 /nfs/dbraw/zinc/07/49/77/572074977.db2.gz YUEAEVOVMCERDN-UHFFFAOYSA-N 0 0 198.287 1.917 10 0 ADAERN CCCc1noc(Cn2cccc2)n1 82615161 572074990 /nfs/dbraw/zinc/07/49/90/572074990.db2.gz DIGZXSOCRPGDKC-UHFFFAOYSA-N 0 0 191.234 1.872 10 0 ADAERN Cc1cccn2ncc([C@@H](C)O)c12 34333806 572075002 /nfs/dbraw/zinc/07/50/02/572075002.db2.gz JNXYPLHYYJQTIW-MRVPVSSYSA-N 0 0 176.219 1.696 10 0 ADAERN CCCNC(=O)[C@H](C)n1ccnc1C 82615308 572075007 /nfs/dbraw/zinc/07/50/07/572075007.db2.gz NJWMJUQVJJPRCN-QMMMGPOBSA-N 0 0 195.266 1.279 10 0 ADAERN CCc1nn2c(N)cc(=O)nc2s1 16636744 572075046 /nfs/dbraw/zinc/07/50/46/572075046.db2.gz VFPSMRSXGATWOU-UHFFFAOYSA-N 0 0 196.235 1.022 10 0 ADAERN CN(C)c1ccc(C=O)c(N(C)C)c1 34349494 572075060 /nfs/dbraw/zinc/07/50/60/572075060.db2.gz AVAZVPNSGUGGJQ-UHFFFAOYSA-N 0 0 192.262 1.631 10 0 ADAERN Cc1cc(SCCO)ccc1C=O 82612711 572075081 /nfs/dbraw/zinc/07/50/81/572075081.db2.gz FANZLQSCPGYYLP-UHFFFAOYSA-N 0 0 196.271 1.892 10 0 ADAERN COCCC(=O)C=C(O)C(C)(C)C 36890147 572075083 /nfs/dbraw/zinc/07/50/83/572075083.db2.gz XPKAPNXBXLMHSQ-UHFFFAOYSA-N 0 0 186.251 1.597 10 0 ADAERN CONC(=O)C[C@@H](C)C(C)(C)C 82618915 572075084 /nfs/dbraw/zinc/07/50/84/572075084.db2.gz WHOYEGGWRDXUIV-SSDOTTSWSA-N 0 0 173.256 1.736 10 0 ADAERN C[C@H](O)c1cc(Cl)nnc1Cl 34345743 572075085 /nfs/dbraw/zinc/07/50/85/572075085.db2.gz WZYHXJHWHGHOAS-VKHMYHEASA-N 0 0 193.033 1.837 10 0 ADAERN Nc1cccc2c1OCCCCO2 34338561 572075092 /nfs/dbraw/zinc/07/50/92/572075092.db2.gz NQURVLXANJSEKY-UHFFFAOYSA-N 0 0 179.219 1.820 10 0 ADAERN Cc1ccc(N)c2ccc(=O)[nH]c12 34332149 572075106 /nfs/dbraw/zinc/07/51/06/572075106.db2.gz AASMNKPEJAGGII-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN Nc1ccc(Cn2cccc2)cc1N 34354453 572075141 /nfs/dbraw/zinc/07/51/41/572075141.db2.gz TZTLJVPQFUETNN-UHFFFAOYSA-N 0 0 187.246 1.701 10 0 ADAERN C[C@H](O)c1ccccc1SCCO 82616878 572075148 /nfs/dbraw/zinc/07/51/48/572075148.db2.gz ZSXWBAYGYMITQK-QMMMGPOBSA-N 0 0 198.287 1.824 10 0 ADAERN COCCC(=O)Cc1ccccn1 36890191 572075168 /nfs/dbraw/zinc/07/51/68/572075168.db2.gz ILMYSLAMNUFOSL-UHFFFAOYSA-N 0 0 179.219 1.230 10 0 ADAERN C1CCC(OCC[NH2+]C2COC2)CC1 82627453 572075178 /nfs/dbraw/zinc/07/51/78/572075178.db2.gz NSIYTZIISPNOGS-UHFFFAOYSA-N 0 0 199.294 1.324 10 0 ADAERN CC(=O)c1cnn2cc(C)ccc12 34333790 572075184 /nfs/dbraw/zinc/07/51/84/572075184.db2.gz UADSOXBXZJBBCI-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN CCn1ccc(NC[C@H](C)COC)n1 300927904 572075191 /nfs/dbraw/zinc/07/51/91/572075191.db2.gz VLCDKPUERZTQHO-VIFPVBQESA-N 0 0 197.282 1.597 10 0 ADAERN CCOc1cccc(N)c1O 34345718 572075240 /nfs/dbraw/zinc/07/52/40/572075240.db2.gz BBFFDSWFNQTFPM-UHFFFAOYSA-N 0 0 153.181 1.373 10 0 ADAERN CCCC[C@H]1C=C[C@H](O)C[C@H]1O 34338403 572075242 /nfs/dbraw/zinc/07/52/42/572075242.db2.gz VWGJBAYBIHAMDT-LPEHRKFASA-N 0 0 170.252 1.475 10 0 ADAERN CC1(C)NC(=O)C(C)(C)S1 34338071 572075261 /nfs/dbraw/zinc/07/52/61/572075261.db2.gz AOVYXLXYRWQAQM-UHFFFAOYSA-N 0 0 159.254 1.364 10 0 ADAERN CC(=O)CC(=O)NCC1(C)CCCC1 82625742 572075338 /nfs/dbraw/zinc/07/53/38/572075338.db2.gz ZQPLRYOOPPTGGI-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN Cc1cccn2ncc([C@H](C)O)c12 34333808 572075348 /nfs/dbraw/zinc/07/53/48/572075348.db2.gz JNXYPLHYYJQTIW-QMMMGPOBSA-N 0 0 176.219 1.696 10 0 ADAERN CCCN1C(=O)CN(CC2CC2)C1=O 36884838 572075381 /nfs/dbraw/zinc/07/53/81/572075381.db2.gz GLMRLRGRQZHDFJ-UHFFFAOYSA-N 0 0 196.250 1.071 10 0 ADAERN O=Cc1cccc2c1C2(F)F 34349222 572075393 /nfs/dbraw/zinc/07/53/93/572075393.db2.gz JAATVUBWTTVMAL-UHFFFAOYSA-N 0 0 154.115 1.953 10 0 ADAERN CC[C@@H](C)[C@H]1CC=CNC1=O 34330312 572075433 /nfs/dbraw/zinc/07/54/33/572075433.db2.gz CRAZPQAJKJGXSG-HTQZYQBOSA-N 0 0 153.225 1.682 10 0 ADAERN Cc1cc(C=O)ccc1SCCO 82612720 572075435 /nfs/dbraw/zinc/07/54/35/572075435.db2.gz WBUSXKGDFCZVLE-UHFFFAOYSA-N 0 0 196.271 1.892 10 0 ADAERN CCn1ccc(NC[C@@H](C)COC)n1 300927903 572075444 /nfs/dbraw/zinc/07/54/44/572075444.db2.gz VLCDKPUERZTQHO-SECBINFHSA-N 0 0 197.282 1.597 10 0 ADAERN C[C@H]1C=CC(=O)N1C(=O)OC(C)(C)C 34353817 572075452 /nfs/dbraw/zinc/07/54/52/572075452.db2.gz ZQUJUMROTWQJDY-ZETCQYMHSA-N 0 0 197.234 1.708 10 0 ADAERN O=C(Cn1cccc1)NCC1CC1 82615166 572075494 /nfs/dbraw/zinc/07/54/94/572075494.db2.gz ABQYRRJNISKSMY-UHFFFAOYSA-N 0 0 178.235 1.014 10 0 ADAERN CCc1noc(C[NH2+]CC2CC2)n1 36884567 572075506 /nfs/dbraw/zinc/07/55/06/572075506.db2.gz QZQDTERAMVDONX-UHFFFAOYSA-N 0 0 181.239 1.132 10 0 ADAERN CO[C@H]1CCNc2c(CO)cccc21 34345843 572075528 /nfs/dbraw/zinc/07/55/28/572075528.db2.gz OSAMUSVEVPLGFY-JTQLQIEISA-N 0 0 193.246 1.682 10 0 ADAERN COCCSc1ccc(C=O)o1 82612612 572075557 /nfs/dbraw/zinc/07/55/57/572075557.db2.gz WHMQKRABRDOEBU-UHFFFAOYSA-N 0 0 186.232 1.831 10 0 ADAERN C[C@H](O)[C@@H](O)C1CCCCC1 34349683 572075577 /nfs/dbraw/zinc/07/55/77/572075577.db2.gz PSRQIJMEXPZYEO-IONNQARKSA-N 0 0 158.241 1.308 10 0 ADAERN CC(C)[C@H](C)NC(=O)Cn1cccc1 82615164 572075587 /nfs/dbraw/zinc/07/55/87/572075587.db2.gz HJXKYPLEHUMXOC-JTQLQIEISA-N 0 0 194.278 1.649 10 0 ADAERN CCC(C)(C)NC(=O)Cn1cccc1 82615159 572075590 /nfs/dbraw/zinc/07/55/90/572075590.db2.gz YIFIBUZGQBBDLV-UHFFFAOYSA-N 0 0 194.278 1.793 10 0 ADAERN Cc1cc(SCCO)ccc1CO 82616880 572075598 /nfs/dbraw/zinc/07/55/98/572075598.db2.gz YYECXPAMGLASGC-UHFFFAOYSA-N 0 0 198.287 1.572 10 0 ADAERN CC[C@H](C)c1ccc[nH]c1=O 34330347 572075602 /nfs/dbraw/zinc/07/56/02/572075602.db2.gz LDNAPZAUTBFOKW-ZETCQYMHSA-N 0 0 151.209 1.888 10 0 ADAERN O=C1C[C@H](CCO)c2ccccc2N1 34331665 572075617 /nfs/dbraw/zinc/07/56/17/572075617.db2.gz HAFFANOEWVBHRX-QMMMGPOBSA-N 0 0 191.230 1.495 10 0 ADAERN Cc1ccc2c(c1)C(=O)NCCS2 34343433 572075622 /nfs/dbraw/zinc/07/56/22/572075622.db2.gz KHCUZXWSQNQUKO-UHFFFAOYSA-N 0 0 193.271 1.831 10 0 ADAERN O=C1NC=COc2ccccc21 34349476 572075741 /nfs/dbraw/zinc/07/57/41/572075741.db2.gz HGUBLFQBMIJQJV-UHFFFAOYSA-N 0 0 161.160 1.280 10 0 ADAERN CC(C)N1CCCOC1=O 34338503 572075658 /nfs/dbraw/zinc/07/56/58/572075658.db2.gz RGOSZDCIBMEIPD-UHFFFAOYSA-N 0 0 143.186 1.237 10 0 ADAERN Nc1cnc(NC[C@@H]2C=CCC2)nc1 711677360 572075661 /nfs/dbraw/zinc/07/56/61/572075661.db2.gz ARHOTLSSMKFZBX-MRVPVSSYSA-N 0 0 190.250 1.437 10 0 ADAERN C[C@@H](O)c1cc(Cl)nnc1Cl 34345744 572075672 /nfs/dbraw/zinc/07/56/72/572075672.db2.gz WZYHXJHWHGHOAS-GSVOUGTGSA-N 0 0 193.033 1.837 10 0 ADAERN CCO[C@H]1O[C@@]12CCCCC2=O 34354989 572075756 /nfs/dbraw/zinc/07/57/56/572075756.db2.gz PRUXBSFLNVNQQF-DTWKUNHWSA-N 0 0 170.208 1.261 10 0 ADAERN CC(=O)c1cnn2cccc(C)c12 34333784 572075772 /nfs/dbraw/zinc/07/57/72/572075772.db2.gz GWRAECHHTDPMQA-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN CCO[C@H]1O[C@]12CCCCC2=O 34354991 572075778 /nfs/dbraw/zinc/07/57/78/572075778.db2.gz PRUXBSFLNVNQQF-IUCAKERBSA-N 0 0 170.208 1.261 10 0 ADAERN CC[C@@H](C)[C@@H]1CC=CNC1=O 34330310 572075782 /nfs/dbraw/zinc/07/57/82/572075782.db2.gz CRAZPQAJKJGXSG-SFYZADRCSA-N 0 0 153.225 1.682 10 0 ADAERN C/C(=C\c1cnn(C)c1)[N+](=O)[O-] 42905529 572075982 /nfs/dbraw/zinc/07/59/82/572075982.db2.gz FUMODMDPDBFSCZ-ZZXKWVIFSA-N 0 0 167.168 1.058 10 0 ADAERN FC(F)(F)CNCc1csnn1 36901788 572075929 /nfs/dbraw/zinc/07/59/29/572075929.db2.gz PZSLLNJWJIWWKX-UHFFFAOYSA-N 0 0 197.185 1.190 10 0 ADAERN CCOC[C@@H](O)[C@H]1CC1(C)C 233788877 572075954 /nfs/dbraw/zinc/07/59/54/572075954.db2.gz RVKVALATAFGBAP-HTQZYQBOSA-N 0 0 158.241 1.430 10 0 ADAERN CCC(CC)[C@@H](C)N1CCC(=O)C1=O 82632953 572075964 /nfs/dbraw/zinc/07/59/64/572075964.db2.gz BCZGNIDWPPEZBP-MRVPVSSYSA-N 0 0 197.278 1.613 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)C(C)=O 34370405 572075990 /nfs/dbraw/zinc/07/59/90/572075990.db2.gz BTKNPOSSQIJMPL-RITPCOANSA-N 0 0 158.197 1.021 10 0 ADAERN CCC(CC)[C@H](C)NCC(=O)OC 82632104 572076006 /nfs/dbraw/zinc/07/60/06/572076006.db2.gz RRIHBHLBUQRKMS-QMMMGPOBSA-N 0 0 187.283 1.574 10 0 ADAERN C[C@@H](CC(=O)NCCO)C(C)(C)C 82628472 572076217 /nfs/dbraw/zinc/07/62/17/572076217.db2.gz DFUGNAFTYGCUTO-QMMMGPOBSA-N 0 0 187.283 1.167 10 0 ADAERN CCCC[C@](C)(F)CO 34383418 572076021 /nfs/dbraw/zinc/07/60/21/572076021.db2.gz OKHRYHIXUNLSPK-ZETCQYMHSA-N 0 0 134.194 1.897 10 0 ADAERN C[C@H](CO)CCC[C@@H](C)O 34364868 572076032 /nfs/dbraw/zinc/07/60/32/572076032.db2.gz OGXGGTVYUCWRNU-JGVFFNPUSA-N 0 0 146.230 1.166 10 0 ADAERN O=C1CCN(CCOC2CCCC2)C1 82627585 572076045 /nfs/dbraw/zinc/07/60/45/572076045.db2.gz UJMKWNDUQXBIMK-UHFFFAOYSA-N 0 0 197.278 1.220 10 0 ADAERN CCC(CC)[C@@H](C)NCC(=O)OC 82632101 572076047 /nfs/dbraw/zinc/07/60/47/572076047.db2.gz RRIHBHLBUQRKMS-MRVPVSSYSA-N 0 0 187.283 1.574 10 0 ADAERN COCCCSc1ncc(N)cn1 82629408 572076102 /nfs/dbraw/zinc/07/61/02/572076102.db2.gz JNNPMFAFPPIQIT-UHFFFAOYSA-N 0 0 199.279 1.187 10 0 ADAERN C[C@@H](Cc1nnc(CN)o1)C(C)(C)C 82628804 572076553 /nfs/dbraw/zinc/07/65/53/572076553.db2.gz 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/nfs/dbraw/zinc/07/62/29/572076229.db2.gz QGBMZPFZRRUQGV-UHFFFAOYSA-N 0 0 175.191 1.859 10 0 ADAERN COCCc1sccc1OC 34405544 572076559 /nfs/dbraw/zinc/07/65/59/572076559.db2.gz HXTKMTLQQSRABC-UHFFFAOYSA-N 0 0 172.249 1.946 10 0 ADAERN COCCCS[C@@H]1CCC[C@@H]1O 82629749 572076255 /nfs/dbraw/zinc/07/62/55/572076255.db2.gz SHDASLCTVLEBNM-DTWKUNHWSA-N 0 0 190.308 1.670 10 0 ADAERN CN1C(=O)C[C@@H]2c3ccccc3N[C@@H]21 34364739 572076301 /nfs/dbraw/zinc/07/63/01/572076301.db2.gz IUPZERVZUAJHFG-LDYMZIIASA-N 0 0 188.230 1.384 10 0 ADAERN CCC(CC)[C@@H](C)[NH2+][C@@H](C)C(=O)[O-] 82632239 572076308 /nfs/dbraw/zinc/07/63/08/572076308.db2.gz JXZAINZVRVISKX-SFYZADRCSA-N 0 0 187.283 1.874 10 0 ADAERN C[C@H](Cc1nnc(CN)o1)C(C)(C)C 82628805 572076316 /nfs/dbraw/zinc/07/63/16/572076316.db2.gz DTSMEANGJNYFEM-SSDOTTSWSA-N 0 0 197.282 1.753 10 0 ADAERN CC[C@@H](C)CC(CO)CO 34406294 572076345 /nfs/dbraw/zinc/07/63/45/572076345.db2.gz DOQOORRFKPURFW-SSDOTTSWSA-N 0 0 146.230 1.023 10 0 ADAERN C1=NCCc2cc3c(cc21)OCCO3 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/nfs/dbraw/zinc/08/33/65/572083365.db2.gz HVBUEJQREYPPMY-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cnnc(SC[C@@H](C)CO)c1 235114323 572083180 /nfs/dbraw/zinc/08/31/80/572083180.db2.gz UTQDVXMOCDCDHE-QMMMGPOBSA-N 0 0 198.291 1.506 10 0 ADAERN CCc1c(C)[nH]c(=O)c(N)c1C 34477577 572083182 /nfs/dbraw/zinc/08/31/82/572083182.db2.gz NWPYRMUJKQMCJP-UHFFFAOYSA-N 0 0 166.224 1.136 10 0 ADAERN CC1(C)NC(C)(C)N(Cl)C1=O 34477869 572083214 /nfs/dbraw/zinc/08/32/14/572083214.db2.gz VJPJNCDZJVAUII-UHFFFAOYSA-N 0 0 176.647 1.087 10 0 ADAERN CCCC[C@@H](O)Cc1cnn(C)c1 82679211 572083257 /nfs/dbraw/zinc/08/32/57/572083257.db2.gz FGNLJXUJOILMQD-SNVBAGLBSA-N 0 0 182.267 1.514 10 0 ADAERN Cc1c[nH]c(C)c1C(=O)n1ccnc1 34455201 572083258 /nfs/dbraw/zinc/08/32/58/572083258.db2.gz MCNADLVHQPLBGN-UHFFFAOYSA-N 0 0 189.218 1.517 10 0 ADAERN CNCc1nc(CC(C)(C)C)no1 82673245 572083277 /nfs/dbraw/zinc/08/32/77/572083277.db2.gz JJRKNTKEWVSLIY-UHFFFAOYSA-N 0 0 183.255 1.378 10 0 ADAERN O[C@@H]1CCC[C@@H]2O[C@@H]2CC1 16918617 572083326 /nfs/dbraw/zinc/08/33/26/572083326.db2.gz SVRHYAOVRQFLJU-GJMOJQLCSA-N 0 0 142.198 1.079 10 0 ADAERN C[C@@H](Cc1cccc(O)c1)NO 34454945 572083483 /nfs/dbraw/zinc/08/34/83/572083483.db2.gz VOQZXUJFLIVEDQ-ZETCQYMHSA-N 0 0 167.208 1.302 10 0 ADAERN CCCc1nnc(C)o1 34475757 572083485 /nfs/dbraw/zinc/08/34/85/572083485.db2.gz IRBMIURUDWUKLU-UHFFFAOYSA-N 0 0 126.159 1.331 10 0 ADAERN CCC(CC)[C@H](O)Cc1cnn(C)c1 82676810 572083531 /nfs/dbraw/zinc/08/35/31/572083531.db2.gz YEOKYFTVGMHMFG-LLVKDONJSA-N 0 0 196.294 1.760 10 0 ADAERN CCC[C@@H](C)CN[C@@H](C)C(=O)OC 37073647 572083533 /nfs/dbraw/zinc/08/35/33/572083533.db2.gz UTVQRAGLVPNFEM-BDAKNGLRSA-N 0 0 187.283 1.574 10 0 ADAERN CCCC[C@@H](O)c1cncnc1 82679120 572083549 /nfs/dbraw/zinc/08/35/49/572083549.db2.gz FSIDLVWWVPGEOB-SECBINFHSA-N 0 0 166.224 1.700 10 0 ADAERN N#C[C@]1(Cl)C[C@@H]2C=C[C@H]1NC2 34453155 572083558 /nfs/dbraw/zinc/08/35/58/572083558.db2.gz IARLBZSIUSSMII-XLPZGREQSA-N 0 0 168.627 1.035 10 0 ADAERN COc1cccc(=O)c(OC)c1OC 34450510 572083593 /nfs/dbraw/zinc/08/35/93/572083593.db2.gz UKRSLCMUOSAKON-UHFFFAOYSA-N 0 0 196.202 1.073 10 0 ADAERN COc1cc2c(nc1C=O)CCC2 34477526 572083601 /nfs/dbraw/zinc/08/36/01/572083601.db2.gz DVFHXKNXFVEUAW-UHFFFAOYSA-N 0 0 177.203 1.391 10 0 ADAERN CCC(CC)[C@H](O)c1cncnc1 82676694 572083624 /nfs/dbraw/zinc/08/36/24/572083624.db2.gz FYPFMTMXYYYBCH-JTQLQIEISA-N 0 0 180.251 1.946 10 0 ADAERN Cc1cc(C)nc(N2CCNC2=O)c1 34450185 572083724 /nfs/dbraw/zinc/08/37/24/572083724.db2.gz XGUXYRPCKBNWOC-UHFFFAOYSA-N 0 0 191.234 1.228 10 0 ADAERN CCC(CC)[C@@H](O)[C@@H]1CCOC1 82676795 572083740 /nfs/dbraw/zinc/08/37/40/572083740.db2.gz HVBUEJQREYPPMY-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN CCC(CC)[C@@H](O)c1cncnc1 82676696 572083742 /nfs/dbraw/zinc/08/37/42/572083742.db2.gz FYPFMTMXYYYBCH-SNVBAGLBSA-N 0 0 180.251 1.946 10 0 ADAERN CCCC(=O)N[C@H]1CCCCCC1=O 34455328 572083767 /nfs/dbraw/zinc/08/37/67/572083767.db2.gz SCWVGSOLKATSDY-VIFPVBQESA-N 0 0 197.278 1.805 10 0 ADAERN COC(=O)[C@H](C)C(=O)CC(C)(C)C 82674798 572083785 /nfs/dbraw/zinc/08/37/85/572083785.db2.gz DMESKHNLWNEJQG-SSDOTTSWSA-N 0 0 186.251 1.801 10 0 ADAERN Cc1cc(O)c(C)c(C)c1CCO 34475196 572083807 /nfs/dbraw/zinc/08/38/07/572083807.db2.gz PRCRDUGDNVGIQO-UHFFFAOYSA-N 0 0 180.247 1.852 10 0 ADAERN CCCCNc1ccc(N)c(OC)n1 37066857 572083849 /nfs/dbraw/zinc/08/38/49/572083849.db2.gz NGRGEICFXUAIIN-UHFFFAOYSA-N 0 0 195.266 1.884 10 0 ADAERN C[C@@]12CC[C@H]3[C@@H](C1)[C@H](O)C[C@@]3(C)C2=O 34450421 572083851 /nfs/dbraw/zinc/08/38/51/572083851.db2.gz HLFGQZPJNZOMDO-VNJKPEEASA-N 0 0 194.274 1.763 10 0 ADAERN CCC[C@@H](C)N[C@@H](C)C(=O)OC 37073959 572083856 /nfs/dbraw/zinc/08/38/56/572083856.db2.gz IXRZWUYQISQPBQ-SFYZADRCSA-N 0 0 173.256 1.326 10 0 ADAERN Cc1cc(Cc2ccccn2)ncc1N 300931516 572083860 /nfs/dbraw/zinc/08/38/60/572083860.db2.gz IMOIPYMHZAHCTG-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN CC1(C)OCC(CCCO)CO1 34468899 572083902 /nfs/dbraw/zinc/08/39/02/572083902.db2.gz GOXKBXYAUIILOF-UHFFFAOYSA-N 0 0 174.240 1.158 10 0 ADAERN C[C@H](O)c1cc(Cl)nc(Cl)n1 34477214 572083913 /nfs/dbraw/zinc/08/39/13/572083913.db2.gz QTPSTSHHUMUZRF-VKHMYHEASA-N 0 0 193.033 1.837 10 0 ADAERN C[C@H]1CCC(=O)C12CC2 34454779 572083922 /nfs/dbraw/zinc/08/39/22/572083922.db2.gz ORIIQSXEAZLZSP-LURJTMIESA-N 0 0 124.183 1.766 10 0 ADAERN CCOC(=O)c1nc(C#N)cs1 34463022 572083929 /nfs/dbraw/zinc/08/39/29/572083929.db2.gz JHEFCZIXOBHVIY-UHFFFAOYSA-N 0 0 182.204 1.191 10 0 ADAERN CCC[n+]1cccc([O-])c1 34467529 572083931 /nfs/dbraw/zinc/08/39/31/572083931.db2.gz BCBDKCSGRVDZMK-UHFFFAOYSA-O 0 0 138.190 1.090 10 0 ADAERN O=C1CC[C@@H](OCc2ccccc2)N1 34462660 572083937 /nfs/dbraw/zinc/08/39/37/572083937.db2.gz GUYXRMDRFMEKHG-LLVKDONJSA-N 0 0 191.230 1.439 10 0 ADAERN Cc1cc(F)c(N(C)C)nc1C 34454957 572084186 /nfs/dbraw/zinc/08/41/86/572084186.db2.gz AVJQMGLQMSDRDV-UHFFFAOYSA-N 0 0 168.215 1.904 10 0 ADAERN COc1ccc2c(c1)C[C@@H](O)C2 34462602 572084084 /nfs/dbraw/zinc/08/40/84/572084084.db2.gz QSZOBKZTEZYQOJ-VIFPVBQESA-N 0 0 164.204 1.155 10 0 ADAERN CSc1ncc(C)c(C)n1 34451273 572084108 /nfs/dbraw/zinc/08/41/08/572084108.db2.gz VZVAPQTVAJDUIE-UHFFFAOYSA-N 0 0 154.238 1.815 10 0 ADAERN CCCCC[C@H](O)[C@H]1CCOC1 82679965 572084189 /nfs/dbraw/zinc/08/41/89/572084189.db2.gz ZWMDCXRUVBQWBK-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN Nc1c(Cl)cc(C=O)nc1Cl 34452767 572084175 /nfs/dbraw/zinc/08/41/75/572084175.db2.gz RAQBORSNQALYJG-UHFFFAOYSA-N 0 0 191.017 1.783 10 0 ADAERN Cc1cc(N)c(C)c2c1OCO2 34450919 572084195 /nfs/dbraw/zinc/08/41/95/572084195.db2.gz VFRIESDIPKPBKR-UHFFFAOYSA-N 0 0 165.192 1.614 10 0 ADAERN OC[C@@H]1CC12C=CC=C2 34454776 572084214 /nfs/dbraw/zinc/08/42/14/572084214.db2.gz BLMKSVPTAFVVFL-ZETCQYMHSA-N 0 0 122.167 1.111 10 0 ADAERN CC[C@H](C)CN(C)c1cncc(N)n1 82686980 572084216 /nfs/dbraw/zinc/08/42/16/572084216.db2.gz WHSLQDPJSCGTMC-QMMMGPOBSA-N 0 0 194.282 1.541 10 0 ADAERN COCOC(=O)c1cccc(N)c1 82699479 572084222 /nfs/dbraw/zinc/08/42/22/572084222.db2.gz QJIRDUPIKMOSSA-UHFFFAOYSA-N 0 0 181.191 1.030 10 0 ADAERN Cc1cc2nn(CCO)nc2cc1C 34450183 572084265 /nfs/dbraw/zinc/08/42/65/572084265.db2.gz ZXLPKSHLNRRHQK-UHFFFAOYSA-N 0 0 191.234 1.040 10 0 ADAERN COc1cc(N)c2c(c1)CCCC2=O 34450172 572084282 /nfs/dbraw/zinc/08/42/82/572084282.db2.gz UFYQRBQEMDSWGI-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN CSc1cccn1N(C)C 34469756 572084300 /nfs/dbraw/zinc/08/43/00/572084300.db2.gz CAIXCQAVVXGBDT-UHFFFAOYSA-N 0 0 156.254 1.408 10 0 ADAERN CCCCOC(=O)[C@](C)([NH3+])C1CC1 37093096 572084315 /nfs/dbraw/zinc/08/43/15/572084315.db2.gz FXWTXNXUPUIBLY-SNVBAGLBSA-N 0 0 185.267 1.457 10 0 ADAERN CCCCC[C@@H](O)[C@@H]1CCOC1 82679964 572084320 /nfs/dbraw/zinc/08/43/20/572084320.db2.gz ZWMDCXRUVBQWBK-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCCC[C@H](O)Cc1cnn(C)c1 82679967 572084323 /nfs/dbraw/zinc/08/43/23/572084323.db2.gz QHJYGWGJZUTOLP-NSHDSACASA-N 0 0 196.294 1.904 10 0 ADAERN C[NH2+]Cc1csc(C(=O)[O-])c1 16942591 572084678 /nfs/dbraw/zinc/08/46/78/572084678.db2.gz UVXSEHKTZNAZMW-UHFFFAOYSA-N 0 0 171.221 1.166 10 0 ADAERN CCN(C(=O)CC(C)=O)C(C)C 37082389 572084351 /nfs/dbraw/zinc/08/43/51/572084351.db2.gz UTIZRRCLGHWMSB-UHFFFAOYSA-N 0 0 171.240 1.222 10 0 ADAERN O[C@H]1CC=C[C@H]1[C@H](O)c1ccccc1 34450117 572084358 /nfs/dbraw/zinc/08/43/58/572084358.db2.gz KANRLPKUBHYDPQ-GRYCIOLGSA-N 0 0 190.242 1.657 10 0 ADAERN CCCC(=O)N[C@H]1CCCC1=O 34454968 572084403 /nfs/dbraw/zinc/08/44/03/572084403.db2.gz CPBNAOPRDVAQOS-ZETCQYMHSA-N 0 0 169.224 1.024 10 0 ADAERN CC[C@@H](C)Nc1cnn(CCOC)c1 37090539 572084458 /nfs/dbraw/zinc/08/44/58/572084458.db2.gz AIAGWFXGWSVNAQ-SECBINFHSA-N 0 0 197.282 1.740 10 0 ADAERN CCC[C@@H](C)N(C)c1cncc(N)n1 82699113 572084462 /nfs/dbraw/zinc/08/44/62/572084462.db2.gz YBOOOCMQFNWNRH-MRVPVSSYSA-N 0 0 194.282 1.684 10 0 ADAERN C=CC1=NC(CC)(CC)C(=O)O1 34454944 572084684 /nfs/dbraw/zinc/08/46/84/572084684.db2.gz FPPNONHSLAHRLW-UHFFFAOYSA-N 0 0 167.208 1.687 10 0 ADAERN CCC[C@H](C)[C@@H](O)c1cncnc1 82679801 572084492 /nfs/dbraw/zinc/08/44/92/572084492.db2.gz DWKRALNCVBOBGK-WCBMZHEXSA-N 0 0 180.251 1.946 10 0 ADAERN CCC[C@@H](C)[N@H+](CC(=O)[O-])C1CC1 82717819 572084497 /nfs/dbraw/zinc/08/44/97/572084497.db2.gz BUQWEGUANZJTOG-MRVPVSSYSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H](Cc1cccc(O)c1)NO 34454946 572084521 /nfs/dbraw/zinc/08/45/21/572084521.db2.gz VOQZXUJFLIVEDQ-SSDOTTSWSA-N 0 0 167.208 1.302 10 0 ADAERN CCC1COCOC1 34452337 572084525 /nfs/dbraw/zinc/08/45/25/572084525.db2.gz NEGZOIAWCFYOBV-UHFFFAOYSA-N 0 0 116.160 1.017 10 0 ADAERN CCC[C@@H](C)[C@H](O)Cc1cnn(C)c1 82679890 572084542 /nfs/dbraw/zinc/08/45/42/572084542.db2.gz OQWNGSNJJGHCBJ-MWLCHTKSSA-N 0 0 196.294 1.760 10 0 ADAERN O=CC(=O)c1cccc(Cl)n1 34452749 572084548 /nfs/dbraw/zinc/08/45/48/572084548.db2.gz KRQSECWWBMWBEX-UHFFFAOYSA-N 0 0 169.567 1.117 10 0 ADAERN O=C1CC[C@H](OC2CCCCC2)N1 34462659 572084550 /nfs/dbraw/zinc/08/45/50/572084550.db2.gz PICCZVXXVYLBMW-JTQLQIEISA-N 0 0 183.251 1.572 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@H+](C)C1CCCC1 37092956 572084556 /nfs/dbraw/zinc/08/45/56/572084556.db2.gz UWIFNVQBSYXLEZ-SNVBAGLBSA-N 0 0 199.294 1.970 10 0 ADAERN C/C=C/C(=O)N[C@H](C)CC1CC1 82693879 572084562 /nfs/dbraw/zinc/08/45/62/572084562.db2.gz HVZUDTXRZQLSJZ-MPJRPATESA-N 0 0 167.252 1.867 10 0 ADAERN CC(=O)Cc1nsc(NC2CC2)n1 16957860 572084568 /nfs/dbraw/zinc/08/45/68/572084568.db2.gz QFZLBZHMGDPOFY-UHFFFAOYSA-N 0 0 197.263 1.244 10 0 ADAERN CC(=O)Nc1ccc(NC(C)C)nn1 240771726 572084572 /nfs/dbraw/zinc/08/45/72/572084572.db2.gz AVWORAGRNNCFTM-UHFFFAOYSA-N 0 0 194.238 1.255 10 0 ADAERN O=Cc1cc(CN2CCCCC2)on1 16943627 572084574 /nfs/dbraw/zinc/08/45/74/572084574.db2.gz AAPGWFNFJOCKRT-UHFFFAOYSA-N 0 0 194.234 1.473 10 0 ADAERN O=C1CC[C@@H](OC2CCCCC2)N1 34462658 572084589 /nfs/dbraw/zinc/08/45/89/572084589.db2.gz PICCZVXXVYLBMW-SNVBAGLBSA-N 0 0 183.251 1.572 10 0 ADAERN CCCOC(=O)Cc1c(C)n[nH]c1C 82699461 572084607 /nfs/dbraw/zinc/08/46/07/572084607.db2.gz RXSXKBKQIWLOKC-UHFFFAOYSA-N 0 0 196.250 1.522 10 0 ADAERN CCC[C@@H](C)[C@H](O)c1cncnc1 82679798 572084608 /nfs/dbraw/zinc/08/46/08/572084608.db2.gz DWKRALNCVBOBGK-SCZZXKLOSA-N 0 0 180.251 1.946 10 0 ADAERN CC[C@@H](C)CN(C)c1cncc(N)n1 82686979 572084672 /nfs/dbraw/zinc/08/46/72/572084672.db2.gz WHSLQDPJSCGTMC-MRVPVSSYSA-N 0 0 194.282 1.541 10 0 ADAERN CSc1ccn(N(C)C)c1 34469758 572084649 /nfs/dbraw/zinc/08/46/49/572084649.db2.gz NPCIYAQZTYVETG-UHFFFAOYSA-N 0 0 156.254 1.408 10 0 ADAERN CCC(=O)C(=O)NCc1ccccc1 34450181 572084634 /nfs/dbraw/zinc/08/46/34/572084634.db2.gz PKTXHJYEICPYIJ-UHFFFAOYSA-N 0 0 191.230 1.282 10 0 ADAERN CC(=[NH2+])Nc1cccc(C(=O)[O-])c1 34452525 572084642 /nfs/dbraw/zinc/08/46/42/572084642.db2.gz XSQLIHJVZYJHJL-UHFFFAOYSA-N 0 0 178.191 1.794 10 0 ADAERN C[C@H](O)c1cccc([C@@H](C)O)c1 34477878 572084663 /nfs/dbraw/zinc/08/46/63/572084663.db2.gz JXGTYKDVCCARGA-OCAPTIKFSA-N 0 0 166.220 1.793 10 0 ADAERN CCCOC(=O)Cc1cccnc1 82730522 572084666 /nfs/dbraw/zinc/08/46/66/572084666.db2.gz BLHBHTICNYMLAU-UHFFFAOYSA-N 0 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572092576 /nfs/dbraw/zinc/09/25/76/572092576.db2.gz CRHZGBUSTWVQAQ-RNFRBKRXSA-N 0 0 114.188 1.557 10 0 ADAERN N=C(N)c1cc2cc(F)c(F)cc2o1 34556830 572092693 /nfs/dbraw/zinc/09/26/93/572092693.db2.gz KGVGQKSHFFBAPW-UHFFFAOYSA-N 0 0 196.156 1.995 10 0 ADAERN O=Cc1cccc2c1OC(=O)CS2 34546029 572092699 /nfs/dbraw/zinc/09/26/99/572092699.db2.gz ZKDOVVGUCNCUKX-UHFFFAOYSA-N 0 0 194.211 1.510 10 0 ADAERN CC(C)C[N@H+](C)[C@H](C(=O)[O-])C(C)C 37108856 572092702 /nfs/dbraw/zinc/09/27/02/572092702.db2.gz LURSMXVIWWIPEG-VIFPVBQESA-N 0 0 187.283 1.683 10 0 ADAERN Cc1cc2c(c(C)c1C=O)[C@@H](O)C2 34540572 572092716 /nfs/dbraw/zinc/09/27/16/572092716.db2.gz SIGAQCKOHDFEBN-JTQLQIEISA-N 0 0 176.215 1.705 10 0 ADAERN CCn1nncc1[C@@H](O)CCC(C)C 300935068 572092721 /nfs/dbraw/zinc/09/27/21/572092721.db2.gz VLEXMYXVMLGLKE-JTQLQIEISA-N 0 0 197.282 1.768 10 0 ADAERN CCCN(C)c1c(C[NH3+])c(C)nn1C 37098687 572092733 /nfs/dbraw/zinc/09/27/33/572092733.db2.gz LNQBNJLFBAUEED-UHFFFAOYSA-N 0 0 196.298 1.033 10 0 ADAERN CC(C)c1ccc(CO)c(O)c(=O)c1 34558336 572092742 /nfs/dbraw/zinc/09/27/42/572092742.db2.gz GCRUBCVVKQYTOL-UHFFFAOYSA-N 0 0 194.230 1.368 10 0 ADAERN CC[S@@](=O)Nc1ncccc1C 687782180 572092754 /nfs/dbraw/zinc/09/27/54/572092754.db2.gz SRGVFVXQKRDUSE-GFCCVEGCSA-N 0 0 184.264 1.486 10 0 ADAERN CC(C)(C)OC(=O)C1=CCC[C@@H]1O 34540832 572092794 /nfs/dbraw/zinc/09/27/94/572092794.db2.gz MVNYPMRFTCVCJJ-QMMMGPOBSA-N 0 0 184.235 1.409 10 0 ADAERN CC(C)(C)NC(=O)[C@@H](O)c1ccco1 34546067 572092802 /nfs/dbraw/zinc/09/28/02/572092802.db2.gz QCSLWLJOMZISRZ-QMMMGPOBSA-N 0 0 197.234 1.228 10 0 ADAERN COC(C[C@@](C)(O)C(C)(C)C)OC 84995588 572092805 /nfs/dbraw/zinc/09/28/05/572092805.db2.gz DAIBGJZDBJRIBM-SNVBAGLBSA-N 0 0 190.283 1.793 10 0 ADAERN C[C@@]1(O)C=C(CCCO)CCC1 34545763 572092832 /nfs/dbraw/zinc/09/28/32/572092832.db2.gz YOWMHXFOCHEAKN-JTQLQIEISA-N 0 0 170.252 1.620 10 0 ADAERN CC(C)O[P@@](C)(=O)CO 34549431 572092851 /nfs/dbraw/zinc/09/28/51/572092851.db2.gz RMXFKRIFWDUCOT-SECBINFHSA-N 0 0 152.130 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110.156 1.111 10 0 ADAERN O[C@@H](c1ccco1)n1cccc1 34545704 572093359 /nfs/dbraw/zinc/09/33/59/572093359.db2.gz JVNPDMPQAZYOCK-VIFPVBQESA-N 0 0 163.176 1.620 10 0 ADAERN Nc1ccc2oc(=O)c(O)cc2c1 34558119 572093449 /nfs/dbraw/zinc/09/34/49/572093449.db2.gz LALNOCKWGFCEEB-UHFFFAOYSA-N 0 0 177.159 1.081 10 0 ADAERN CC(C)(C)NC(=O)[C@H](O)c1ccco1 34546066 572093470 /nfs/dbraw/zinc/09/34/70/572093470.db2.gz QCSLWLJOMZISRZ-MRVPVSSYSA-N 0 0 197.234 1.228 10 0 ADAERN COC(C[C@](C)(O)CC(C)C)OC 84995679 572093477 /nfs/dbraw/zinc/09/34/77/572093477.db2.gz URBKFKVQJGKLIM-SNVBAGLBSA-N 0 0 190.283 1.793 10 0 ADAERN CC(C)(C)OC(=O)C1=CCC[C@H]1O 34540834 572093502 /nfs/dbraw/zinc/09/35/02/572093502.db2.gz MVNYPMRFTCVCJJ-MRVPVSSYSA-N 0 0 184.235 1.409 10 0 ADAERN OCCn1ccc2c(O)cccc21 34551947 572093505 /nfs/dbraw/zinc/09/35/05/572093505.db2.gz XYALCRZTZJUWNZ-UHFFFAOYSA-N 0 0 177.203 1.339 10 0 ADAERN CC(C)/C=C/OCCO 34578867 572094878 /nfs/dbraw/zinc/09/48/78/572094878.db2.gz UOBOCNJLZWVWDU-HWKANZROSA-N 0 0 130.187 1.165 10 0 ADAERN CC[C@H]1CC[C@H](O)C1 34557481 572093522 /nfs/dbraw/zinc/09/35/22/572093522.db2.gz CRHZGBUSTWVQAQ-BQBZGAKWSA-N 0 0 114.188 1.557 10 0 ADAERN CC[S@](=O)Nc1ncccc1C 687782182 572093530 /nfs/dbraw/zinc/09/35/30/572093530.db2.gz SRGVFVXQKRDUSE-LBPRGKRZSA-N 0 0 184.264 1.486 10 0 ADAERN N=C(N)c1cc2cc(F)ccc2o1 34556834 572093540 /nfs/dbraw/zinc/09/35/40/572093540.db2.gz UIYZSMYTPGGFND-UHFFFAOYSA-N 0 0 178.166 1.856 10 0 ADAERN CCNC(=O)O[C@@H](C)C(C)C 145952029 572093561 /nfs/dbraw/zinc/09/35/61/572093561.db2.gz YAPPEMLNBOFJLU-ZETCQYMHSA-N 0 0 159.229 1.777 10 0 ADAERN CC(C)=CC[NH2+][C@@H](C)C[S@@](C)=O 235127113 572093608 /nfs/dbraw/zinc/09/36/08/572093608.db2.gz VGSXYPLVWXINAT-JOYOIKCWSA-N 0 0 189.324 1.309 10 0 ADAERN CC1(C)[C@H]2CC[C@@]13CNC(=O)O[C@@H]3C2 34562704 572093610 /nfs/dbraw/zinc/09/36/10/572093610.db2.gz YEXVHJZKGUTUMX-RNSXUZJQSA-N 0 0 195.262 1.921 10 0 ADAERN O[C@@H]1ON(c2ccccc2)CC=C1F 34562698 572093618 /nfs/dbraw/zinc/09/36/18/572093618.db2.gz IHRHOQFJBMHIFV-SNVBAGLBSA-N 0 0 195.193 1.610 10 0 ADAERN CC(C)n1c2c([nH]c1=O)C(=O)CCC2 34562652 572093631 /nfs/dbraw/zinc/09/36/31/572093631.db2.gz FUHWMDSUNYCSHX-UHFFFAOYSA-N 0 0 194.234 1.276 10 0 ADAERN CCN(CC)[C@@H](O)C(F)(F)F 34557447 572093641 /nfs/dbraw/zinc/09/36/41/572093641.db2.gz IJEQQDFMLSCGTQ-YFKPBYRVSA-N 0 0 171.162 1.209 10 0 ADAERN CC(C)[C@@H]1CC[C@H](C)[C@@H]1C(N)=O 17058807 572093648 /nfs/dbraw/zinc/09/36/48/572093648.db2.gz CWKDUAKFURGFAL-CIUDSAMLSA-N 0 0 169.268 1.790 10 0 ADAERN CC(=O)NCN(C)c1ccccc1 34540655 572093678 /nfs/dbraw/zinc/09/36/78/572093678.db2.gz HGKAFNWGHKQMRF-UHFFFAOYSA-N 0 0 178.235 1.216 10 0 ADAERN O[C@H]1ON(c2ccccc2)CC=C1F 34562700 572093720 /nfs/dbraw/zinc/09/37/20/572093720.db2.gz IHRHOQFJBMHIFV-JTQLQIEISA-N 0 0 195.193 1.610 10 0 ADAERN CCCCc1nc2cc[nH]c(=O)c2[nH]1 34552769 572093721 /nfs/dbraw/zinc/09/37/21/572093721.db2.gz DQNFMKNGBGWUDB-UHFFFAOYSA-N 0 0 191.234 1.594 10 0 ADAERN CCCN(C)C(=O)[C@@H]1CCC[C@@H](C)[NH2+]1 37098712 572093735 /nfs/dbraw/zinc/09/37/35/572093735.db2.gz QZBJZNGFJNJWBH-ZJUUUORDSA-N 0 0 198.310 1.385 10 0 ADAERN CC(C)O[P@](C)(=O)CO 34549430 572093757 /nfs/dbraw/zinc/09/37/57/572093757.db2.gz RMXFKRIFWDUCOT-VIFPVBQESA-N 0 0 152.130 1.269 10 0 ADAERN O=C1c2c(O)cccc2-n2cccc21 34540891 572093761 /nfs/dbraw/zinc/09/37/61/572093761.db2.gz RRZAJTKEGSMDGB-UHFFFAOYSA-N 0 0 185.182 1.727 10 0 ADAERN CCCC[C@@](C)(O)CC(OC)OC 84995555 572093784 /nfs/dbraw/zinc/09/37/84/572093784.db2.gz PKQWUHJYFVXEKI-SNVBAGLBSA-N 0 0 190.283 1.937 10 0 ADAERN CCCn1nncc1NCCOCC 300935256 572093793 /nfs/dbraw/zinc/09/37/93/572093793.db2.gz MSPFLIXYOVKUGC-UHFFFAOYSA-N 0 0 198.270 1.137 10 0 ADAERN COC(C[C@](C)(O)C(C)(C)C)OC 84995590 572093811 /nfs/dbraw/zinc/09/38/11/572093811.db2.gz DAIBGJZDBJRIBM-JTQLQIEISA-N 0 0 190.283 1.793 10 0 ADAERN COc1ccc2c(c1)SC(=O)C2 34559989 572093822 /nfs/dbraw/zinc/09/38/22/572093822.db2.gz KFSCLTASFWZMNI-UHFFFAOYSA-N 0 0 180.228 1.870 10 0 ADAERN CCCC[C@](C)(O)CC(OC)OC 84995553 572093825 /nfs/dbraw/zinc/09/38/25/572093825.db2.gz PKQWUHJYFVXEKI-JTQLQIEISA-N 0 0 190.283 1.937 10 0 ADAERN CCCN(C)c1ccccc1C[NH3+] 37097715 572093826 /nfs/dbraw/zinc/09/38/26/572093826.db2.gz DSVIEQZFADFBQS-UHFFFAOYSA-N 0 0 178.279 1.992 10 0 ADAERN CC#C[C@H](O)[C@H](C)c1nc(C)cs1 34562706 572093828 /nfs/dbraw/zinc/09/38/28/572093828.db2.gz KHANOIBPGPWPGM-IUCAKERBSA-N 0 0 195.287 1.939 10 0 ADAERN CC[S@](=O)N(C)[C@H](C)CSC 687781966 572093835 /nfs/dbraw/zinc/09/38/35/572093835.db2.gz KOMUGLDNSRKOEG-HQJQHLMTSA-N 0 0 195.353 1.353 10 0 ADAERN CC(C)(C)n1ccc(=O)cc1 34549996 572093852 /nfs/dbraw/zinc/09/38/52/572093852.db2.gz JBZBSAVZLZDDDV-UHFFFAOYSA-N 0 0 151.209 1.603 10 0 ADAERN C[C@@H]1CCc2ncc(N)cc2C1 34560611 572093873 /nfs/dbraw/zinc/09/38/73/572093873.db2.gz HGRYYSZGQDEXPC-SSDOTTSWSA-N 0 0 162.236 1.789 10 0 ADAERN CC[S@@](=O)N(C)[C@H](C)CSC 687781967 572093957 /nfs/dbraw/zinc/09/39/57/572093957.db2.gz KOMUGLDNSRKOEG-RDDDGLTNSA-N 0 0 195.353 1.353 10 0 ADAERN O[C@@H](Cc1c[nH]cn1)c1ccccc1 34557425 572093989 /nfs/dbraw/zinc/09/39/89/572093989.db2.gz NYVQMDLNRVPETI-NSHDSACASA-N 0 0 188.230 1.686 10 0 ADAERN c1cc2c(cn1)C1=NCC[C@@H]1CC2 34582914 572094896 /nfs/dbraw/zinc/09/48/96/572094896.db2.gz PJUIBYBWTNBWPF-VIFPVBQESA-N 0 0 172.231 1.837 10 0 ADAERN CC[S@](=O)N(C)[C@@H](C)CSC 687781964 572093999 /nfs/dbraw/zinc/09/39/99/572093999.db2.gz KOMUGLDNSRKOEG-CPCISQLKSA-N 0 0 195.353 1.353 10 0 ADAERN C[C@H](CO)[C@@H](O)c1ccccc1 34545723 572094019 /nfs/dbraw/zinc/09/40/19/572094019.db2.gz HOZWNKKVYXPKSI-PSASIEDQSA-N 0 0 166.220 1.348 10 0 ADAERN C(=C/c1ccccn1)\CC1OCCO1 34565924 572094023 /nfs/dbraw/zinc/09/40/23/572094023.db2.gz ZMLMSKYNMNQIQE-HWKANZROSA-N 0 0 191.230 1.858 10 0 ADAERN O[C@H](c1ccco1)n1cccc1 34545703 572094050 /nfs/dbraw/zinc/09/40/50/572094050.db2.gz JVNPDMPQAZYOCK-SECBINFHSA-N 0 0 163.176 1.620 10 0 ADAERN COC(C[C@](C)(O)C(C)C)OC 84995720 572094091 /nfs/dbraw/zinc/09/40/91/572094091.db2.gz RTGOOAKSWRWOIY-VIFPVBQESA-N 0 0 176.256 1.402 10 0 ADAERN 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CCCN(C)C(=O)[C@@H]1CCC[C@H](C)[NH2+]1 37098710 572094218 /nfs/dbraw/zinc/09/42/18/572094218.db2.gz QZBJZNGFJNJWBH-UWVGGRQHSA-N 0 0 198.310 1.385 10 0 ADAERN Nc1cccc2cc(O)c(=O)oc12 34558123 572094247 /nfs/dbraw/zinc/09/42/47/572094247.db2.gz FMAGIQPFINOMCX-UHFFFAOYSA-N 0 0 177.159 1.081 10 0 ADAERN CC(=O)c1cc(N)cc2cc[nH]c12 34559254 572094251 /nfs/dbraw/zinc/09/42/51/572094251.db2.gz BSNLAMQHIBQXAX-UHFFFAOYSA-N 0 0 174.203 1.953 10 0 ADAERN O[C@H]1CCCc2ccccc2[C@H]1O 34540653 572094268 /nfs/dbraw/zinc/09/42/68/572094268.db2.gz QGVXNVFNLXEOHJ-WDEREUQCSA-N 0 0 178.231 1.417 10 0 ADAERN O[C@@H]1C=C[C@H]2CC[C@@H]1C2 17104407 572094274 /nfs/dbraw/zinc/09/42/74/572094274.db2.gz JTOCEKMBLNNIET-BWZBUEFSSA-N 0 0 124.183 1.333 10 0 ADAERN CCC[N@@H+](C1CC1)[C@@H](C(=O)[O-])C(C)C 37097546 572094308 /nfs/dbraw/zinc/09/43/08/572094308.db2.gz HZFMXWWNRRNAGY-SNVBAGLBSA-N 0 0 199.294 1.970 10 0 ADAERN CCC[C@@](C)(O)CC(OC)OC 84995593 572094312 /nfs/dbraw/zinc/09/43/12/572094312.db2.gz 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/nfs/dbraw/zinc/09/49/15/572094915.db2.gz IQOZOXBLJHNUEQ-UHFFFAOYSA-N 0 0 198.218 1.210 10 0 ADAERN C[C@@]12CO[C@@H](C1)Oc1ccc(O)cc12 34583311 572094680 /nfs/dbraw/zinc/09/46/80/572094680.db2.gz GDUMKNJUGHZWHD-MNOVXSKESA-N 0 0 192.214 1.789 10 0 ADAERN O=C1C[C@@H](SCc2ccccn2)N1 34574309 572094690 /nfs/dbraw/zinc/09/46/90/572094690.db2.gz ZTGRLHMTZBGQKV-SECBINFHSA-N 0 0 194.259 1.161 10 0 ADAERN CCCN(C)c1ncccc1C[NH3+] 37097717 572094704 /nfs/dbraw/zinc/09/47/04/572094704.db2.gz SGKCURLXFIDZMP-UHFFFAOYSA-N 0 0 179.267 1.387 10 0 ADAERN O[C@H]1CCCc2ccoc21 34582357 572094721 /nfs/dbraw/zinc/09/47/21/572094721.db2.gz GLLCXMZXJQTQMQ-ZETCQYMHSA-N 0 0 138.166 1.649 10 0 ADAERN CCC[N@H+](C)[C@@H](C(=O)[O-])C(C)C 37098647 572094730 /nfs/dbraw/zinc/09/47/30/572094730.db2.gz WTSCTRFIWNSKDO-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN COC(C[C@@](C)(O)C1CC1)OC 84995714 572094747 /nfs/dbraw/zinc/09/47/47/572094747.db2.gz YEGUAKNEGCQDNA-SECBINFHSA-N 0 0 174.240 1.156 10 0 ADAERN 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/nfs/dbraw/zinc/09/54/71/572095471.db2.gz XBIANTMWIIHPTR-ZCFIWIBFSA-N 0 0 198.218 1.463 10 0 ADAERN CC(=O)c1c(N)[nH]c2ccccc12 34572761 572095379 /nfs/dbraw/zinc/09/53/79/572095379.db2.gz BHCPILYCPGRGAD-UHFFFAOYSA-N 0 0 174.203 1.953 10 0 ADAERN CNc1ccc2c(c1)O[C@H](CO)CC2 34583333 572095384 /nfs/dbraw/zinc/09/53/84/572095384.db2.gz UKTKWGFGIAAFRG-JTQLQIEISA-N 0 0 193.246 1.414 10 0 ADAERN CC(C)[C@@H]1C[C@H](C)[C@@H](O)[C@@H](CO)C1 34569514 572095456 /nfs/dbraw/zinc/09/54/56/572095456.db2.gz NFHPOSJYXBASNU-LNFKQOIKSA-N 0 0 186.295 1.658 10 0 ADAERN COc1cc([C@](C)(O)CO)ccc1C 34583366 572095468 /nfs/dbraw/zinc/09/54/68/572095468.db2.gz ZUFPBARBUFZKFG-LLVKDONJSA-N 0 0 196.246 1.203 10 0 ADAERN CC[S@](=O)N(C)CCCSC 687782039 572095516 /nfs/dbraw/zinc/09/55/16/572095516.db2.gz NNXSWKUUTYOXJV-NSHDSACASA-N 0 0 195.353 1.355 10 0 ADAERN CC(=O)c1ccc(CCO)cc1 34582721 572095566 /nfs/dbraw/zinc/09/55/66/572095566.db2.gz DHGITTBXFMRGQV-UHFFFAOYSA-N 0 0 164.204 1.424 10 0 ADAERN CC[S@](=O)NCCCCSC 687782045 572095567 /nfs/dbraw/zinc/09/55/67/572095567.db2.gz NZFIVUAUTNSOLK-NSHDSACASA-N 0 0 195.353 1.403 10 0 ADAERN Nc1c(F)c(N)c(Cl)c(F)c1F 34578878 572095624 /nfs/dbraw/zinc/09/56/24/572095624.db2.gz LZVONOACSGBMIL-UHFFFAOYSA-N 0 0 196.559 1.922 10 0 ADAERN CC(C)(C)C1=CC(=O)OC1 34566672 572095642 /nfs/dbraw/zinc/09/56/42/572095642.db2.gz MPFXDSSDZCBOMY-UHFFFAOYSA-N 0 0 140.182 1.516 10 0 ADAERN C[C@@H]1C(=O)CCc2cocc21 34566828 572095645 /nfs/dbraw/zinc/09/56/45/572095645.db2.gz CFFZJPVCCXUVFA-LURJTMIESA-N 0 0 150.177 1.898 10 0 ADAERN OCCCO[C@H]1CCC=CO1 34581496 572095658 /nfs/dbraw/zinc/09/56/58/572095658.db2.gz BEQAOHHRWVAUSR-QMMMGPOBSA-N 0 0 158.197 1.036 10 0 ADAERN O=C1C[C@H](SCc2ccccn2)N1 34574310 572095675 /nfs/dbraw/zinc/09/56/75/572095675.db2.gz ZTGRLHMTZBGQKV-VIFPVBQESA-N 0 0 194.259 1.161 10 0 ADAERN C/C=C/[C@@H](O)CCCCO 34574655 572095696 /nfs/dbraw/zinc/09/56/96/572095696.db2.gz MTNZKIPFTFNUDB-IBDUZEINSA-N 0 0 144.214 1.086 10 0 ADAERN CCSCCCN[S@@](=O)CC 687782279 572095702 /nfs/dbraw/zinc/09/57/02/572095702.db2.gz WMMLFFWAUZXAPF-NSHDSACASA-N 0 0 195.353 1.403 10 0 ADAERN O=C1C[C@@H]([C@@H]2CCCCCCC2=O)N1 34568442 572095713 /nfs/dbraw/zinc/09/57/13/572095713.db2.gz BBMWPLXWQGPGSH-IUCAKERBSA-N 0 0 195.262 1.414 10 0 ADAERN COc1cccc2c1OCC(=O)CO2 34581763 572095718 /nfs/dbraw/zinc/09/57/18/572095718.db2.gz DTQBLUCLKALSON-UHFFFAOYSA-N 0 0 194.186 1.036 10 0 ADAERN CN(C)C(=O)[C@@H]1O[C@H]1c1ccccc1 34568257 572095722 /nfs/dbraw/zinc/09/57/22/572095722.db2.gz MWYMTMVJAKRBPS-VHSXEESVSA-N 0 0 191.230 1.215 10 0 ADAERN C[C@H]1C(=O)CS[C@@H]1C 34578536 572095791 /nfs/dbraw/zinc/09/57/91/572095791.db2.gz WPJHULHDQNMKSR-RFZPGFLSSA-N 0 0 130.212 1.327 10 0 ADAERN CO[C@H](C)c1ccco1 34582282 572095796 /nfs/dbraw/zinc/09/57/96/572095796.db2.gz YVKITNGPPJQGCZ-ZCFIWIBFSA-N 0 0 126.155 1.987 10 0 ADAERN CNc1ccc2c(c1)O[C@@H](CO)CC2 34583334 572095855 /nfs/dbraw/zinc/09/58/55/572095855.db2.gz UKTKWGFGIAAFRG-SNVBAGLBSA-N 0 0 193.246 1.414 10 0 ADAERN 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/nfs/dbraw/zinc/10/29/03/572102903.db2.gz SDOJHTSXRDLLHY-BYPYZUCNSA-N 0 0 167.046 1.541 10 0 ADAERN C[C@H]1CC[C@H](C(F)(F)F)N1 34626356 572102146 /nfs/dbraw/zinc/10/21/46/572102146.db2.gz LYZMQCBYCLBDBH-CRCLSJGQSA-N 0 0 153.147 1.689 10 0 ADAERN O=c1cc[nH]c2ccc(CCO)cc12 34626567 572102151 /nfs/dbraw/zinc/10/21/51/572102151.db2.gz KLMZGGHVPGIDDH-UHFFFAOYSA-N 0 0 189.214 1.063 10 0 ADAERN O=C1CC[C@@]2(CCc3ccccc32)N1 34618657 572102161 /nfs/dbraw/zinc/10/21/61/572102161.db2.gz GOMOOGRVDYYKDL-GFCCVEGCSA-N 0 0 187.242 1.738 10 0 ADAERN CC(C)c1nc(C(=O)NC2CC2)co1 34626278 572102180 /nfs/dbraw/zinc/10/21/80/572102180.db2.gz AZVZCJMKILEUKP-UHFFFAOYSA-N 0 0 194.234 1.690 10 0 ADAERN COc1ccc2oc(=O)[nH]c2c1F 34626700 572102183 /nfs/dbraw/zinc/10/21/83/572102183.db2.gz VGRFJQYZOPFZGN-UHFFFAOYSA-N 0 0 183.138 1.269 10 0 ADAERN C[C@H](O)COCc1ccccc1F 69285539 572102196 /nfs/dbraw/zinc/10/21/96/572102196.db2.gz SZHZBCXOGSJKTH-QMMMGPOBSA-N 0 0 184.210 1.723 10 0 ADAERN CCCn1ccnc1C[C@H](C)CO 82764763 572102219 /nfs/dbraw/zinc/10/22/19/572102219.db2.gz TVHJIEKERIDIKH-VIFPVBQESA-N 0 0 182.267 1.464 10 0 ADAERN O=C1CC[C@@H](OC2CCCC2)N1 34628699 572102236 /nfs/dbraw/zinc/10/22/36/572102236.db2.gz BKMZSBVDAVWQSX-SECBINFHSA-N 0 0 169.224 1.182 10 0 ADAERN O=C1N[C@H]2C[C@H]2c2ccccc21 71477075 572102239 /nfs/dbraw/zinc/10/22/39/572102239.db2.gz PIECXUKJIJEKHJ-IUCAKERBSA-N 0 0 159.188 1.286 10 0 ADAERN CSc1[nH]ccc(=O)c1C(C)=O 34622188 572102321 /nfs/dbraw/zinc/10/23/21/572102321.db2.gz ZOZAHEVDUZNZRS-UHFFFAOYSA-N 0 0 183.232 1.299 10 0 ADAERN O=C1C[C@@H](O)c2ccsc21 34621743 572102329 /nfs/dbraw/zinc/10/23/29/572102329.db2.gz IOTGPIHUHWUGJE-RXMQYKEDSA-N 0 0 154.190 1.368 10 0 ADAERN Cc1c([C@@H](C)O)sc2nccn12 238402800 572102335 /nfs/dbraw/zinc/10/23/35/572102335.db2.gz NWVJJPPHTWLLDF-ZCFIWIBFSA-N 0 0 182.248 1.758 10 0 ADAERN CC1(C)Cc2cccc(O)c2C(=O)O1 34618817 572102377 /nfs/dbraw/zinc/10/23/77/572102377.db2.gz WFJFVHBPNMOEKI-UHFFFAOYSA-N 0 0 192.214 1.884 10 0 ADAERN Cc1nn(C)c(C)c1N=O 34624786 572102381 /nfs/dbraw/zinc/10/23/81/572102381.db2.gz JBPHKIGSCXZTPN-UHFFFAOYSA-N 0 0 139.158 1.435 10 0 ADAERN C[C@@]1(O)CCc2cc(C=O)ccc21 34622052 572102385 /nfs/dbraw/zinc/10/23/85/572102385.db2.gz WMTCWZIBIGWSGI-LLVKDONJSA-N 0 0 176.215 1.653 10 0 ADAERN COc1ccc2c(ccc(C)[n+]2[O-])c1 34626689 572102392 /nfs/dbraw/zinc/10/23/92/572102392.db2.gz AMSKLMYSKGPVHX-UHFFFAOYSA-N 0 0 189.214 1.790 10 0 ADAERN NOc1cccc(F)c1 34628189 572102869 /nfs/dbraw/zinc/10/28/69/572102869.db2.gz QUCNLLGCKVGNPM-UHFFFAOYSA-N 0 0 127.118 1.078 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1NC(=O)O[C@H]21 34622423 572102419 /nfs/dbraw/zinc/10/24/19/572102419.db2.gz QOSBDMRULURZGK-NKIIXMILSA-N 0 0 195.262 1.920 10 0 ADAERN Cc1ccc2c(c1)C(=O)N[C@@H](C)N2 34628560 572102425 /nfs/dbraw/zinc/10/24/25/572102425.db2.gz CHMYJIVVAVLYFY-ZETCQYMHSA-N 0 0 176.219 1.496 10 0 ADAERN CC(=C1CC1)C1(CO)CC1 34632706 572102433 /nfs/dbraw/zinc/10/24/33/572102433.db2.gz QPFAKJBQTRUUJK-UHFFFAOYSA-N 0 0 138.210 1.869 10 0 ADAERN 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LYZMQCBYCLBDBH-WHFBIAKZSA-N 0 0 153.147 1.689 10 0 ADAERN Cc1cc(C)n(C)c1C 34722907 572106429 /nfs/dbraw/zinc/10/64/29/572106429.db2.gz QIZLKOSIONFNPY-UHFFFAOYSA-N 0 0 123.199 1.950 10 0 ADAERN O=C1CCC=C[C@@H]2CCCCN12 34621875 572102703 /nfs/dbraw/zinc/10/27/03/572102703.db2.gz YPHBCCMQFFPNPL-SECBINFHSA-N 0 0 165.236 1.718 10 0 ADAERN COc1ccc(-c2nc[nH]c2C)cn1 34638722 572102728 /nfs/dbraw/zinc/10/27/28/572102728.db2.gz SMHOWQXDCNFLQY-UHFFFAOYSA-N 0 0 189.218 1.789 10 0 ADAERN CSc1nc(F)nc2[nH]cnc12 17284421 572102751 /nfs/dbraw/zinc/10/27/51/572102751.db2.gz ZWTOUWDBQXZJIT-UHFFFAOYSA-N 0 0 184.199 1.214 10 0 ADAERN CCn1ccnc1C[C@@H](C)CO 82764764 572102757 /nfs/dbraw/zinc/10/27/57/572102757.db2.gz LCZMPKZKNUFENJ-MRVPVSSYSA-N 0 0 168.240 1.074 10 0 ADAERN C[C@@]1(C(F)(F)F)CCC(=O)N1 34626354 572102780 /nfs/dbraw/zinc/10/27/80/572102780.db2.gz KKBLTLYRVPNHON-YFKPBYRVSA-N 0 0 167.130 1.217 10 0 ADAERN CC(=O)C[C@H]1NC(=O)c2ccccc21 34622305 572102790 /nfs/dbraw/zinc/10/27/90/572102790.db2.gz CUGQLCMCBLWTOW-SNVBAGLBSA-N 0 0 189.214 1.450 10 0 ADAERN Cc1c(N)cc2oc(=O)[nH]c2c1F 34626696 572102794 /nfs/dbraw/zinc/10/27/94/572102794.db2.gz ZKWASRAXLPGCFP-UHFFFAOYSA-N 0 0 182.154 1.151 10 0 ADAERN COC(=O)Nc1ccc(OC)c(O)c1 34626492 572102807 /nfs/dbraw/zinc/10/28/07/572102807.db2.gz MGWZDCGTTKYAMI-UHFFFAOYSA-N 0 0 197.190 1.579 10 0 ADAERN CCCn1nccc1C[C@H](C)CO 82764516 572102825 /nfs/dbraw/zinc/10/28/25/572102825.db2.gz TYHQLDZNJVFKAH-VIFPVBQESA-N 0 0 182.267 1.464 10 0 ADAERN C[C@]1(C(F)(F)F)CCC(=O)N1 34626353 572102833 /nfs/dbraw/zinc/10/28/33/572102833.db2.gz KKBLTLYRVPNHON-RXMQYKEDSA-N 0 0 167.130 1.217 10 0 ADAERN C[C@H](CO)CCC1CCOCC1 82764774 572102836 /nfs/dbraw/zinc/10/28/36/572102836.db2.gz CLSJGDJBSFYXQB-VIFPVBQESA-N 0 0 172.268 1.822 10 0 ADAERN CC[C@H](O)c1noc(C(F)(F)F)n1 234046503 572102925 /nfs/dbraw/zinc/10/29/25/572102925.db2.gz KOFIOXSXAHSBKG-VKHMYHEASA-N 0 0 196.128 1.532 10 0 ADAERN CC(=O)c1cccn1C[C@H](O)C(C)C 300935614 572102934 /nfs/dbraw/zinc/10/29/34/572102934.db2.gz WUXSAUYEOUZGSI-NSHDSACASA-N 0 0 195.262 1.708 10 0 ADAERN OCC[C@H]1O[C@H]1c1ccccc1 34621857 572102936 /nfs/dbraw/zinc/10/29/36/572102936.db2.gz ZCNFBAJNMACHSZ-ZJUUUORDSA-N 0 0 164.204 1.509 10 0 ADAERN C[C@@H](CO)CCC1CCOCC1 82764775 572102949 /nfs/dbraw/zinc/10/29/49/572102949.db2.gz CLSJGDJBSFYXQB-SECBINFHSA-N 0 0 172.268 1.822 10 0 ADAERN C[C@]1(O)CCc2cc(C=O)ccc21 34622051 572102978 /nfs/dbraw/zinc/10/29/78/572102978.db2.gz WMTCWZIBIGWSGI-NSHDSACASA-N 0 0 176.215 1.653 10 0 ADAERN O=Cc1[nH]c(C=O)c2c1CCCC2 34622073 572102988 /nfs/dbraw/zinc/10/29/88/572102988.db2.gz FZSHOJOUNHEVEF-UHFFFAOYSA-N 0 0 177.203 1.519 10 0 ADAERN COP(=O)(OC)c1ccc[nH]1 34638682 572102998 /nfs/dbraw/zinc/10/29/98/572102998.db2.gz WVLXQSADNBOPAI-UHFFFAOYSA-N 0 0 175.124 1.126 10 0 ADAERN CCn1cc(CC[C@@H](C)CO)cn1 82764754 572103140 /nfs/dbraw/zinc/10/31/40/572103140.db2.gz VGPSSBWSMBCLOH-SECBINFHSA-N 0 0 182.267 1.464 10 0 ADAERN CC1(C)NC(=O)O[C@@H]1c1ccco1 34618449 572103067 /nfs/dbraw/zinc/10/30/67/572103067.db2.gz UPCAWKUMWLBVFV-SSDOTTSWSA-N 0 0 181.191 1.839 10 0 ADAERN CO[P@@](=O)(CO)c1ccccc1 34618590 572103121 /nfs/dbraw/zinc/10/31/21/572103121.db2.gz PHBSZQDIHGVTSB-LBPRGKRZSA-N 0 0 186.147 1.186 10 0 ADAERN CCn1nccc1C[C@@H](C)CO 82764655 572103128 /nfs/dbraw/zinc/10/31/28/572103128.db2.gz GUYYLQZJDAAXDN-MRVPVSSYSA-N 0 0 168.240 1.074 10 0 ADAERN CC(=O)C[C@@H]1NC(=O)c2ccccc21 34622306 572103132 /nfs/dbraw/zinc/10/31/32/572103132.db2.gz CUGQLCMCBLWTOW-JTQLQIEISA-N 0 0 189.214 1.450 10 0 ADAERN CO/C=C/C1=C[C@@H](O)C[C@@H](C)C1 34621918 572103150 /nfs/dbraw/zinc/10/31/50/572103150.db2.gz IEOQJYPQHRLOAX-PVXSWLFQSA-N 0 0 168.236 1.864 10 0 ADAERN COc1ccc(O)c2ccc(=O)[nH]c12 34626966 572103155 /nfs/dbraw/zinc/10/31/55/572103155.db2.gz YMBDMTZIXGOJPC-UHFFFAOYSA-N 0 0 191.186 1.242 10 0 ADAERN CC(=O)c1cccn1C[C@@H](O)C(C)C 300935613 572103184 /nfs/dbraw/zinc/10/31/84/572103184.db2.gz WUXSAUYEOUZGSI-LLVKDONJSA-N 0 0 195.262 1.708 10 0 ADAERN O=C1CCCCCCCC(=O)N1 34627770 572103189 /nfs/dbraw/zinc/10/31/89/572103189.db2.gz HUXSAESWQBPYHL-UHFFFAOYSA-N 0 0 169.224 1.374 10 0 ADAERN O[C@H]1CCC[C@]12CCCS2 34621808 572103204 /nfs/dbraw/zinc/10/32/04/572103204.db2.gz DWZWGKIPJVGDCE-YUMQZZPRSA-N 0 0 158.266 1.797 10 0 ADAERN O=C1OCC[C@H]1c1cc2c([nH]1)CCC2 34632799 572103206 /nfs/dbraw/zinc/10/32/06/572103206.db2.gz AVNDVFDMPOXRFF-QMMMGPOBSA-N 0 0 191.230 1.534 10 0 ADAERN CN(C)NCCCOc1ccccc1 214976419 572103260 /nfs/dbraw/zinc/10/32/60/572103260.db2.gz NPZLCKUSQSDEEV-UHFFFAOYSA-N 0 0 194.278 1.522 10 0 ADAERN O=C1NCCN1OCc1ccccc1 34626621 572103532 /nfs/dbraw/zinc/10/35/32/572103532.db2.gz VVFBCUUOXDVIAL-UHFFFAOYSA-N 0 0 192.218 1.143 10 0 ADAERN CCn1ccnc1C[C@H](C)CO 82764765 572103484 /nfs/dbraw/zinc/10/34/84/572103484.db2.gz LCZMPKZKNUFENJ-QMMMGPOBSA-N 0 0 168.240 1.074 10 0 ADAERN CC1=C[C@H](O)O[C@@H](C)C1 34622899 572103547 /nfs/dbraw/zinc/10/35/47/572103547.db2.gz GCLLHHKAPUWKSX-NKWVEPMBSA-N 0 0 128.171 1.060 10 0 ADAERN 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156.225 1.971 10 0 ADAERN CC(C)OC(=O)NC(C)(C)C 17409368 572105191 /nfs/dbraw/zinc/10/51/91/572105191.db2.gz SYPYRAUKJXSXNN-UHFFFAOYSA-N 0 0 159.229 1.920 10 0 ADAERN Cc1cc(Nc2ncc[nH]2)nn1C 300938445 572105205 /nfs/dbraw/zinc/10/52/05/572105205.db2.gz JOJSHAFIQAYSEH-UHFFFAOYSA-N 0 0 177.211 1.195 10 0 ADAERN C[C@@H](CC(C)(C)C)OC(N)=O 17408935 572105219 /nfs/dbraw/zinc/10/52/19/572105219.db2.gz IMJMUSZJPGFEII-LURJTMIESA-N 0 0 159.229 1.906 10 0 ADAERN COc1cccc2c1NC[C@@H](C)[C@@H]2O 71480369 572105235 /nfs/dbraw/zinc/10/52/35/572105235.db2.gz KOEKLDSLQJIQCH-HQJQHLMTSA-N 0 0 193.246 1.790 10 0 ADAERN O[C@@H](C[C@H]1CCCCO1)C(F)(F)F 687782676 572105236 /nfs/dbraw/zinc/10/52/36/572105236.db2.gz FYMRXFMCSFDMFA-RQJHMYQMSA-N 0 0 198.184 1.869 10 0 ADAERN COC[C@@H](C)[C@@](C)(O)C(C)(C)OC 687782722 572105245 /nfs/dbraw/zinc/10/52/45/572105245.db2.gz LWYZCMLVUCXYSB-PSASIEDQSA-N 0 0 190.283 1.445 10 0 ADAERN CC(=O)C[C@@](C)(O)CC(C)C 17412210 572105250 /nfs/dbraw/zinc/10/52/50/572105250.db2.gz IBZRDXRYCZADAE-VIFPVBQESA-N 0 0 158.241 1.763 10 0 ADAERN C/C(=C/[C@@H](C)O)CC(C)(C)O 17410393 572105254 /nfs/dbraw/zinc/10/52/54/572105254.db2.gz NYLIWYGIONCENF-GRKOMRHMSA-N 0 0 158.241 1.475 10 0 ADAERN CC(C)(C)[C@@H]1C(=O)NC1(C)C 17416586 572105261 /nfs/dbraw/zinc/10/52/61/572105261.db2.gz JPQHLMVTNGGIIG-LURJTMIESA-N 0 0 155.241 1.557 10 0 ADAERN C[C@@H]1CNc2c(F)cccc2[C@H]1O 71480305 572105263 /nfs/dbraw/zinc/10/52/63/572105263.db2.gz GRRMTTDFQKUDOV-LDWIPMOCSA-N 0 0 181.210 1.921 10 0 ADAERN CC(C)[S@](=O)NC1(C)CC1 687783308 572105268 /nfs/dbraw/zinc/10/52/68/572105268.db2.gz RWKKIVGYAAXXKN-JTQLQIEISA-N 0 0 161.270 1.201 10 0 ADAERN COC[C@H](C)[C@](C)(O)C(C)(C)OC 687782727 572105272 /nfs/dbraw/zinc/10/52/72/572105272.db2.gz LWYZCMLVUCXYSB-WPRPVWTQSA-N 0 0 190.283 1.445 10 0 ADAERN C[C@@H](O)C[C@@H](C)CC(C)(C)O 17407752 572105273 /nfs/dbraw/zinc/10/52/73/572105273.db2.gz VNZDMEBTFUVGHD-HTQZYQBOSA-N 0 0 160.257 1.554 10 0 ADAERN C[C@H](O)CC(F)(F)C(F)(F)F 17414140 572105276 /nfs/dbraw/zinc/10/52/76/572105276.db2.gz YWHUDVRAUNZDNG-VKHMYHEASA-N 0 0 178.100 1.955 10 0 ADAERN CSCCN[S@](=O)C(C)C 687783304 572105291 /nfs/dbraw/zinc/10/52/91/572105291.db2.gz RICPHZMTLFEHFT-SNVBAGLBSA-N 0 0 181.326 1.011 10 0 ADAERN CCOCC[C@@H](O)[C@@H]1CCCS1 687782841 572105308 /nfs/dbraw/zinc/10/53/08/572105308.db2.gz XVSHVGKMDYRRTC-BDAKNGLRSA-N 0 0 190.308 1.670 10 0 ADAERN CC1(C)C[C@H](O)C[C@@](C)(O)C1 17418172 572105319 /nfs/dbraw/zinc/10/53/19/572105319.db2.gz IGGOBQNADHBTSJ-IONNQARKSA-N 0 0 158.241 1.308 10 0 ADAERN CC[C@H](NN)c1ncccc1Cl 234053629 572107132 /nfs/dbraw/zinc/10/71/32/572107132.db2.gz LFJTYEQOEXMACL-ZETCQYMHSA-N 0 0 185.658 1.649 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cn(C)cn1 234049374 572105330 /nfs/dbraw/zinc/10/53/30/572105330.db2.gz IXAYMNUYYJGDOH-CBAPKCEASA-N 0 0 166.224 1.038 10 0 ADAERN CC1(C)C[C@@H](O)C[C@](C)(O)C1 17418175 572105333 /nfs/dbraw/zinc/10/53/33/572105333.db2.gz IGGOBQNADHBTSJ-APPZFPTMSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@H](O)C[C@@H](C)OC(C)(C)C 17408208 572105340 /nfs/dbraw/zinc/10/53/40/572105340.db2.gz WELRQTQVSYOPGS-JGVFFNPUSA-N 0 0 160.257 1.961 10 0 ADAERN CC(=O)C[C@@](C)(O)C(C)(C)C 17414442 572105360 /nfs/dbraw/zinc/10/53/60/572105360.db2.gz FCZCKOSAFADFGS-SECBINFHSA-N 0 0 158.241 1.763 10 0 ADAERN CC(C)=CC1=CC(=O)OC1 34732363 572105368 /nfs/dbraw/zinc/10/53/68/572105368.db2.gz BWWXZKFOHFUBAS-UHFFFAOYSA-N 0 0 138.166 1.436 10 0 ADAERN CC[C@@H](C[N@@H+]1CC[C@H]1C)C(=O)[O-] 251124204 572105382 /nfs/dbraw/zinc/10/53/82/572105382.db2.gz WVLDRIYXOGGFOZ-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CCOCCSc1ncccc1N 37190641 572105403 /nfs/dbraw/zinc/10/54/03/572105403.db2.gz OUXKTNRZLWCSHH-UHFFFAOYSA-N 0 0 198.291 1.792 10 0 ADAERN CC(=O)C[C@](C)(O)C(C)(C)C 17414444 572105413 /nfs/dbraw/zinc/10/54/13/572105413.db2.gz FCZCKOSAFADFGS-VIFPVBQESA-N 0 0 158.241 1.763 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+]C(C)(C)C 17409032 572105416 /nfs/dbraw/zinc/10/54/16/572105416.db2.gz SMJLNQYGDXPTJS-ZCFIWIBFSA-N 0 0 159.229 1.238 10 0 ADAERN COCC1(C(C)=O)C=CCC=C1 34742492 572105428 /nfs/dbraw/zinc/10/54/28/572105428.db2.gz PNBJWACPNWQYLQ-UHFFFAOYSA-N 0 0 166.220 1.724 10 0 ADAERN CC(=O)C[C@](C)(O)CC(C)C 17412209 572105434 /nfs/dbraw/zinc/10/54/34/572105434.db2.gz IBZRDXRYCZADAE-SECBINFHSA-N 0 0 158.241 1.763 10 0 ADAERN CC(C)[S@@](=O)NC1(C)CC1 687783313 572105454 /nfs/dbraw/zinc/10/54/54/572105454.db2.gz RWKKIVGYAAXXKN-SNVBAGLBSA-N 0 0 161.270 1.201 10 0 ADAERN CC(=O)NC(C)(C)C(C)(C)F 17414752 572105458 /nfs/dbraw/zinc/10/54/58/572105458.db2.gz DGELBVRPXGWLGW-UHFFFAOYSA-N 0 0 161.220 1.649 10 0 ADAERN C[C@H]1Oc2ccccc2[C@H]1O 34741089 572105475 /nfs/dbraw/zinc/10/54/75/572105475.db2.gz XUZKZBRHLRIAHL-MUWHJKNJSA-N 0 0 150.177 1.501 10 0 ADAERN C1=C(c2cnccn2)C2CCN1CC2 34742050 572105487 /nfs/dbraw/zinc/10/54/87/572105487.db2.gz UDQMCOTTYMFIBY-UHFFFAOYSA-N 0 0 187.246 1.543 10 0 ADAERN C[C@H](O)C[C@H](C)CC(C)(C)O 17407757 572105503 /nfs/dbraw/zinc/10/55/03/572105503.db2.gz VNZDMEBTFUVGHD-YUMQZZPRSA-N 0 0 160.257 1.554 10 0 ADAERN CSCCN[S@@](=O)C(C)C 687783301 572105507 /nfs/dbraw/zinc/10/55/07/572105507.db2.gz RICPHZMTLFEHFT-JTQLQIEISA-N 0 0 181.326 1.011 10 0 ADAERN CN(CCCO)c1ccc(N)cc1F 300938977 572105511 /nfs/dbraw/zinc/10/55/11/572105511.db2.gz GCPLFPFAEJYVFW-UHFFFAOYSA-N 0 0 198.241 1.227 10 0 ADAERN Cc1cnn2ncccc12 26049670 572105515 /nfs/dbraw/zinc/10/55/15/572105515.db2.gz IPMWQEIINNFLOI-UHFFFAOYSA-N 0 0 133.154 1.038 10 0 ADAERN C[C@H](O)CC(=O)CC(C)(C)C 17409189 572105533 /nfs/dbraw/zinc/10/55/33/572105533.db2.gz LQFWRFYVUVYDMB-ZETCQYMHSA-N 0 0 158.241 1.763 10 0 ADAERN CCOCC[C@H](O)C[C@H](C)OC 687782789 572105534 /nfs/dbraw/zinc/10/55/34/572105534.db2.gz NABKYRJRPKBQRT-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN CC1(C)CO[C@@H]2CCCC[C@H]2N1N 71478569 572105540 /nfs/dbraw/zinc/10/55/40/572105540.db2.gz GXHUBBMTZMCMRQ-RKDXNWHRSA-N 0 0 184.283 1.282 10 0 ADAERN O=Cc1ncn(Cc2ccccc2)n1 34723016 572105550 /nfs/dbraw/zinc/10/55/50/572105550.db2.gz HDDYSNCKECVCRE-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN C[C@H]1CN(N)C[C@H](c2ccccc2)O1 71478581 572105558 /nfs/dbraw/zinc/10/55/58/572105558.db2.gz YENWUWIELXGZDD-GXSJLCMTSA-N 0 0 192.262 1.322 10 0 ADAERN CCOCC[C@H](O)[C@@H]1CCCS1 687782844 572105560 /nfs/dbraw/zinc/10/55/60/572105560.db2.gz XVSHVGKMDYRRTC-IUCAKERBSA-N 0 0 190.308 1.670 10 0 ADAERN COc1cccc2c1NC[C@H](C)[C@@H]2O 71480370 572105593 /nfs/dbraw/zinc/10/55/93/572105593.db2.gz KOEKLDSLQJIQCH-CPCISQLKSA-N 0 0 193.246 1.790 10 0 ADAERN CC1(C)O[C@@H](O)c2ccccc21 34741092 572105602 /nfs/dbraw/zinc/10/56/02/572105602.db2.gz YECUVSGJTMGTHF-SECBINFHSA-N 0 0 164.204 1.943 10 0 ADAERN CCCCC1=NC(=O)C(C)(C)N1 34741428 572105645 /nfs/dbraw/zinc/10/56/45/572105645.db2.gz UTSKAQLJCLJSDV-UHFFFAOYSA-N 0 0 168.240 1.484 10 0 ADAERN C[C@H]1CNc2ccc(F)cc2[C@H]1O 71480530 572105646 /nfs/dbraw/zinc/10/56/46/572105646.db2.gz BUVBCUYQKAXCQQ-WKEGUHRASA-N 0 0 181.210 1.921 10 0 ADAERN O[C@H](C(F)(F)F)C1(O)CCCC1 687782840 572105676 /nfs/dbraw/zinc/10/56/76/572105676.db2.gz UYQOUGRXDKBLED-YFKPBYRVSA-N 0 0 184.157 1.215 10 0 ADAERN CCC[C@@H]1C(=O)CC[C@]1(C)O 34722135 572105683 /nfs/dbraw/zinc/10/56/83/572105683.db2.gz UHDNWEAUYCDSFH-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@H]1CNc2ccccc2[C@H]1O 71480242 572105690 /nfs/dbraw/zinc/10/56/90/572105690.db2.gz DCWTUYVHIYOEPA-XVKPBYJWSA-N 0 0 163.220 1.782 10 0 ADAERN CC[C@H](OC)c1nc(O)c[nH]1 234048082 572105691 /nfs/dbraw/zinc/10/56/91/572105691.db2.gz MVKATNJWNDVUQF-YFKPBYRVSA-N 0 0 156.185 1.213 10 0 ADAERN Cn1nnnc1[C@@H]([NH3+])CCC(C)(C)C 687918874 572105701 /nfs/dbraw/zinc/10/57/01/572105701.db2.gz DCJWOSKPGZLUHW-ZETCQYMHSA-N 0 0 197.286 1.036 10 0 ADAERN COC[C@H](C)[C@@H](O)c1ccc(N)cc1 687782761 572105717 /nfs/dbraw/zinc/10/57/17/572105717.db2.gz KNVUUQZSHBXVDI-GZMMTYOYSA-N 0 0 195.262 1.585 10 0 ADAERN O[C@@H](C[C@@H]1CCCCO1)C(F)(F)F 687782673 572105729 /nfs/dbraw/zinc/10/57/29/572105729.db2.gz FYMRXFMCSFDMFA-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H](O)C(F)(F)F 687782665 572105746 /nfs/dbraw/zinc/10/57/46/572105746.db2.gz FSVMLQQINNSDPD-CRCLSJGQSA-N 0 0 186.173 1.317 10 0 ADAERN O[C@@H](C(F)(F)F)C1(O)CCCC1 687782834 572105752 /nfs/dbraw/zinc/10/57/52/572105752.db2.gz UYQOUGRXDKBLED-RXMQYKEDSA-N 0 0 184.157 1.215 10 0 ADAERN C[C@H]1CNc2ccc(F)cc2[C@@H]1O 71480528 572105759 /nfs/dbraw/zinc/10/57/59/572105759.db2.gz BUVBCUYQKAXCQQ-QUBYGPBYSA-N 0 0 181.210 1.921 10 0 ADAERN CCOCC[C@H](O)C1(O)CCCC1 687782699 572105767 /nfs/dbraw/zinc/10/57/67/572105767.db2.gz AUZVLVOQJYZXEW-VIFPVBQESA-N 0 0 188.267 1.079 10 0 ADAERN COC[C@@H](C)[C@](C)(O)C(C)(C)OC 687782724 572105772 /nfs/dbraw/zinc/10/57/72/572105772.db2.gz LWYZCMLVUCXYSB-SCZZXKLOSA-N 0 0 190.283 1.445 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)[C@@H](C)CN2 71480594 572105786 /nfs/dbraw/zinc/10/57/86/572105786.db2.gz JAEAEXHHVKTIJA-CPCISQLKSA-N 0 0 193.246 1.790 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H](O)C(F)(F)F 687782668 572105801 /nfs/dbraw/zinc/10/58/01/572105801.db2.gz FSVMLQQINNSDPD-WHFBIAKZSA-N 0 0 186.173 1.317 10 0 ADAERN CCCN(C)[S@](=O)C(C)C 687783201 572105804 /nfs/dbraw/zinc/10/58/04/572105804.db2.gz MPNHTHIDRVQQJE-SNVBAGLBSA-N 0 0 163.286 1.400 10 0 ADAERN CCOCC[C@H](O)C1(C)CC1 687782785 572105809 /nfs/dbraw/zinc/10/58/09/572105809.db2.gz MJJJEQOUDJWGSI-QMMMGPOBSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H](O)C(F)(F)F 687782666 572105812 /nfs/dbraw/zinc/10/58/12/572105812.db2.gz FSVMLQQINNSDPD-RFZPGFLSSA-N 0 0 186.173 1.317 10 0 ADAERN COC[C@H](C)[C@@H](O)[C@@H](OC)C(C)C 687782749 572105815 /nfs/dbraw/zinc/10/58/15/572105815.db2.gz JHZGWKWFITUPCU-AEJSXWLSSA-N 0 0 190.283 1.301 10 0 ADAERN C[C@@H]1CO[C@H](c2ccccc2)CN1N 71478572 572105836 /nfs/dbraw/zinc/10/58/36/572105836.db2.gz ALMRCDCNYWQHRD-KOLCDFICSA-N 0 0 192.262 1.322 10 0 ADAERN CSCCCOCC[C@@H](C)O 402286913 572105860 /nfs/dbraw/zinc/10/58/60/572105860.db2.gz LZTHCPRBWFALKK-MRVPVSSYSA-N 0 0 178.297 1.527 10 0 ADAERN CC[C@H](OC)C1=NC(=O)CN1C 234048099 572105877 /nfs/dbraw/zinc/10/58/77/572105877.db2.gz 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/nfs/dbraw/zinc/10/77/76/572107776.db2.gz QLDKILBHNXVUIX-UHFFFAOYSA-N 0 0 156.225 1.971 10 0 ADAERN CNC(=O)N(OC)c1ccccc1C 34743222 572107808 /nfs/dbraw/zinc/10/78/08/572107808.db2.gz PWTLJLFDNFSRCH-UHFFFAOYSA-N 0 0 194.234 1.702 10 0 ADAERN Nc1cc(Cl)cc2c1CCN2 34745037 572108148 /nfs/dbraw/zinc/10/81/48/572108148.db2.gz HSIWXTZRCCXHKM-UHFFFAOYSA-N 0 0 168.627 1.890 10 0 ADAERN COCCCC[C@@H](O)[C@@H](C)COC 686326086 572107902 /nfs/dbraw/zinc/10/79/02/572107902.db2.gz DNVRUTGTQHWDMC-VHSXEESVSA-N 0 0 190.283 1.447 10 0 ADAERN CS(C)=Nc1cnc(Cl)cn1 34765271 572107915 /nfs/dbraw/zinc/10/79/15/572107915.db2.gz RRDMTQQFDMLRBB-UHFFFAOYSA-N 0 0 189.671 1.823 10 0 ADAERN Cc1nn(C)c(NCC(C)(C)C)c1N 34763536 572107973 /nfs/dbraw/zinc/10/79/73/572107973.db2.gz LWFIQOVKSSDNPF-UHFFFAOYSA-N 0 0 196.298 1.769 10 0 ADAERN c1cnnc(-c2ccc[nH]2)c1 34750569 572108015 /nfs/dbraw/zinc/10/80/15/572108015.db2.gz QFKXFTLPCRTWIO-UHFFFAOYSA-N 0 0 145.165 1.472 10 0 ADAERN CC/C=C/C[C@H](O)CCO 34753299 572108168 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CCC[C@H](O)/C(C)=C\CCO 80358412 572108095 /nfs/dbraw/zinc/10/80/95/572108095.db2.gz NDDPUZGPXMHONS-XZLDQRQTSA-N 0 0 158.241 1.476 10 0 ADAERN COCCCC[C@@H](O)[C@H](C)COC 686326084 572108115 /nfs/dbraw/zinc/10/81/15/572108115.db2.gz DNVRUTGTQHWDMC-NXEZZACHSA-N 0 0 190.283 1.447 10 0 ADAERN CC[C@H](NN)c1ccnc(C)c1 234053253 572108305 /nfs/dbraw/zinc/10/83/05/572108305.db2.gz GCMFVJSEXVINDE-VIFPVBQESA-N 0 0 165.240 1.304 10 0 ADAERN CO[C@@H]1CCC[C@@H]([C@@H](O)C2CC2)C1 686326723 572109096 /nfs/dbraw/zinc/10/90/96/572109096.db2.gz OGRUMXWSLYRKDN-MXWKQRLJSA-N 0 0 184.279 1.963 10 0 ADAERN CO[C@@H]1CCC[C@@H]([C@H](O)C2CC2)C1 686326721 572108386 /nfs/dbraw/zinc/10/83/86/572108386.db2.gz OGRUMXWSLYRKDN-GMTAPVOTSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@H]1Oc2cc(F)c(N)cc2NC1=O 34751147 572108406 /nfs/dbraw/zinc/10/84/06/572108406.db2.gz JNIMXFJHWZVADE-SCSAIBSYSA-N 0 0 196.181 1.127 10 0 ADAERN [O-]c1ccccc1-[n+]1ccccc1 34751727 572108428 /nfs/dbraw/zinc/10/84/28/572108428.db2.gz 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/nfs/dbraw/zinc/10/85/71/572108571.db2.gz VJDZJBNTVLGPEM-SSDOTTSWSA-N 0 0 144.214 1.517 10 0 ADAERN CCCc1c(C)nc(N)n(CC)c1=O 34759267 572108577 /nfs/dbraw/zinc/10/85/77/572108577.db2.gz VXOXCDAOMWSYQB-UHFFFAOYSA-N 0 0 195.266 1.106 10 0 ADAERN CC[C@H]1N[C@H](C)C(=O)N1CC1(C)CC1 234057011 572109121 /nfs/dbraw/zinc/10/91/21/572109121.db2.gz GEXJADOJFJGYQP-BDAKNGLRSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1[C@H](C2CCCCC2)NC(=O)N1C 34764926 572108633 /nfs/dbraw/zinc/10/86/33/572108633.db2.gz WVJHMNPRYBMJDQ-PSASIEDQSA-N 0 0 196.294 1.979 10 0 ADAERN CC/C=C/C[C@@H](O)CCO 34753300 572108695 /nfs/dbraw/zinc/10/86/95/572108695.db2.gz QTHIKVMVWXLPKQ-MPJRPATESA-N 0 0 144.214 1.086 10 0 ADAERN O[C@H](c1ccccc1)c1nnco1 34777426 572108710 /nfs/dbraw/zinc/10/87/10/572108710.db2.gz PWWWNWDSCJUSFC-MRVPVSSYSA-N 0 0 176.175 1.151 10 0 ADAERN CC[C@H](O)C(=O)CC1CCC1 234054380 572108742 /nfs/dbraw/zinc/10/87/42/572108742.db2.gz WTWYGUNFHVIAHZ-QMMMGPOBSA-N 0 0 156.225 1.517 10 0 ADAERN CCC(C)(C)[C@H]([NH2+]C)C(=O)[O-] 17575241 572108767 /nfs/dbraw/zinc/10/87/67/572108767.db2.gz OJYIIMYWTKZTCM-ZCFIWIBFSA-N 0 0 159.229 1.095 10 0 ADAERN CO[C@@H]1CCC[C@H]([C@@H](O)C2CC2)C1 686326720 572108793 /nfs/dbraw/zinc/10/87/93/572108793.db2.gz OGRUMXWSLYRKDN-AXFHLTTASA-N 0 0 184.279 1.963 10 0 ADAERN CC[C@H](O)C(=O)CC1CC1 234054357 572108802 /nfs/dbraw/zinc/10/88/02/572108802.db2.gz VQXIWLOQTAJEGE-ZETCQYMHSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)CC(=O)N[C@@H](C)CC(C)C 37265217 572108811 /nfs/dbraw/zinc/10/88/11/572108811.db2.gz JBAZBZSGAQJSNE-QMMMGPOBSA-N 0 0 185.267 1.516 10 0 ADAERN CC(C)[S@@](=O)N(C)C1CC1 687783133 572108821 /nfs/dbraw/zinc/10/88/21/572108821.db2.gz LMFVZTDAXWOQPK-SNVBAGLBSA-N 0 0 161.270 1.153 10 0 ADAERN CC(=O)[C@@H]1C=CC1 34743787 572108838 /nfs/dbraw/zinc/10/88/38/572108838.db2.gz CRYDNUMCLZAQEL-ZCFIWIBFSA-N 0 0 96.129 1.152 10 0 ADAERN CC(=O)O[C@@H](N)c1ccccc1 34751714 572108841 /nfs/dbraw/zinc/10/88/41/572108841.db2.gz OLWLOTQPOJHIBQ-SECBINFHSA-N 0 0 165.192 1.207 10 0 ADAERN Cc1cc2c(oc1=O)CCCC2=O 34769303 572108926 /nfs/dbraw/zinc/10/89/26/572108926.db2.gz XJRXBBIUBFWAMA-UHFFFAOYSA-N 0 0 178.187 1.467 10 0 ADAERN C[NH+](C)CCC(C)(C)C(=O)[O-] 17550185 572108947 /nfs/dbraw/zinc/10/89/47/572108947.db2.gz FWFCNUJGSLCZED-UHFFFAOYSA-N 0 0 159.229 1.049 10 0 ADAERN CC(C)c1[nH]nc(Cl)c1C=O 34770572 572108966 /nfs/dbraw/zinc/10/89/66/572108966.db2.gz YFYGAMMQAPPYOL-UHFFFAOYSA-N 0 0 172.615 1.999 10 0 ADAERN Nc1nsc2nc3ccccc3n12 34754673 572109041 /nfs/dbraw/zinc/10/90/41/572109041.db2.gz UHUZSCJIDNGREY-UHFFFAOYSA-N 0 0 190.231 1.526 10 0 ADAERN COC(=O)CC(C)(C)C(C)=O 17536785 572109043 /nfs/dbraw/zinc/10/90/43/572109043.db2.gz KEKAHVIIKMDUGV-UHFFFAOYSA-N 0 0 158.197 1.165 10 0 ADAERN CC[C@H](O)[C@@H](O)C1CCC(C)CC1 234054265 572109068 /nfs/dbraw/zinc/10/90/68/572109068.db2.gz WQQKIYZNTFWFMY-TVUZUIDESA-N 0 0 186.295 1.945 10 0 ADAERN CN(C)c1ncnc2c(O)cccc12 34743140 572109073 /nfs/dbraw/zinc/10/90/73/572109073.db2.gz XQJCOVPCTLPKLM-UHFFFAOYSA-N 0 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34764934 572109577 /nfs/dbraw/zinc/10/95/77/572109577.db2.gz WVJHMNPRYBMJDQ-SCZZXKLOSA-N 0 0 196.294 1.979 10 0 ADAERN CSC[C@H](C)[C@@H](O)c1cnccn1 300939352 572109641 /nfs/dbraw/zinc/10/96/41/572109641.db2.gz NCFHMYPBXDVNGE-IONNQARKSA-N 0 0 198.291 1.509 10 0 ADAERN CC(C)C[C@H](C)NC(=O)n1ccnc1 37265355 572109695 /nfs/dbraw/zinc/10/96/95/572109695.db2.gz PFDXZKIDKGSVMF-VIFPVBQESA-N 0 0 195.266 1.875 10 0 ADAERN CCOc1cc(C)c(N)cc1N 34745076 572109746 /nfs/dbraw/zinc/10/97/46/572109746.db2.gz AYAKPRUPZTWPLK-UHFFFAOYSA-N 0 0 166.224 1.558 10 0 ADAERN CC[C@H](O)/C=C/[C@H](O)CC 34743449 572109787 /nfs/dbraw/zinc/10/97/87/572109787.db2.gz UKRCOLFEYJZGNV-QVEUVULFSA-N 0 0 144.214 1.084 10 0 ADAERN CCc1cc(=O)[nH]c2c1C(=O)CCC2 34769333 572109790 /nfs/dbraw/zinc/10/97/90/572109790.db2.gz XRLOOSNONOCMTG-UHFFFAOYSA-N 0 0 191.230 1.456 10 0 ADAERN Cc1c2c([nH]c(=O)c1C)CCCC2=O 34769338 572109799 /nfs/dbraw/zinc/10/97/99/572109799.db2.gz PLUNUXXVPSTDBE-UHFFFAOYSA-N 0 0 191.230 1.511 10 0 ADAERN 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/nfs/dbraw/zinc/11/14/28/572111428.db2.gz RXDLXUAJLAIZEQ-SECBINFHSA-N 0 0 169.268 1.840 10 0 ADAERN CC[S@](=O)N(CC1CC1)C1CC1 687784509 572111449 /nfs/dbraw/zinc/11/14/49/572111449.db2.gz WZMWOEFHFQSUTP-LBPRGKRZSA-N 0 0 187.308 1.544 10 0 ADAERN CC[C@H](C)Oc1nc(C)cc(CO)n1 300940607 572111468 /nfs/dbraw/zinc/11/14/68/572111468.db2.gz SDIDQSUCBJKOKF-QMMMGPOBSA-N 0 0 196.250 1.455 10 0 ADAERN CCCOCCCC(=O)OC 37286977 572111510 /nfs/dbraw/zinc/11/15/10/572111510.db2.gz GAAZBEZRXUMQNY-UHFFFAOYSA-N 0 0 160.213 1.366 10 0 ADAERN COc1nscc1[C@@H]1C[C@@H]1C(C)=O 712895495 572111519 /nfs/dbraw/zinc/11/15/19/572111519.db2.gz SSJDZQXLDZNBPU-RNFRBKRXSA-N 0 0 197.259 1.844 10 0 ADAERN CC[N@H+](C)CC(=O)Cc1ccccc1 37333872 572111528 /nfs/dbraw/zinc/11/15/28/572111528.db2.gz OVIXNOWCHXTHKP-UHFFFAOYSA-N 0 0 191.274 1.750 10 0 ADAERN CC(C)[S@](=O)NC1CC=CC1 687784573 572111831 /nfs/dbraw/zinc/11/18/31/572111831.db2.gz AESGWIJAFYCOLA-NSHDSACASA-N 0 0 173.281 1.367 10 0 ADAERN CC[S@@](=O)N1CCCCCCC1 687784676 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/nfs/dbraw/zinc/11/25/54/572112554.db2.gz AXSYKHVOJKNBCE-LBPRGKRZSA-N 0 0 187.264 1.095 10 0 ADAERN CCCC[C@H](O)c1cc(C)n(C)n1 300942531 572112571 /nfs/dbraw/zinc/11/25/71/572112571.db2.gz SIJRMLQBORZROI-JTQLQIEISA-N 0 0 182.267 1.952 10 0 ADAERN CC[C@H](O)[C@@H](O)c1ccsc1 234060151 572112588 /nfs/dbraw/zinc/11/25/88/572112588.db2.gz MEPWXQRMGKBIAM-YUMQZZPRSA-N 0 0 172.249 1.552 10 0 ADAERN CC(=O)C[C@H]1OCCS1 34843052 572112591 /nfs/dbraw/zinc/11/25/91/572112591.db2.gz ZXWGYKABSCGYRJ-LURJTMIESA-N 0 0 146.211 1.055 10 0 ADAERN O[C@@H]1CCC=C1c1ccco1 34875176 572112610 /nfs/dbraw/zinc/11/26/10/572112610.db2.gz GNMXQARYQIFBEN-MRVPVSSYSA-N 0 0 150.177 1.818 10 0 ADAERN CC[C@@H](C)Oc1nc(C)cc(CO)n1 300940604 572112617 /nfs/dbraw/zinc/11/26/17/572112617.db2.gz SDIDQSUCBJKOKF-MRVPVSSYSA-N 0 0 196.250 1.455 10 0 ADAERN CC[S@@](=O)N(C)Cc1ccco1 687784441 572112622 /nfs/dbraw/zinc/11/26/22/572112622.db2.gz UTOLDVNTWWHKJV-GFCCVEGCSA-N 0 0 187.264 1.395 10 0 ADAERN 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CCC[C@@H](C)[C@H]([NH2+]CC)c1cnn[n-]1 300342737 572123559 /nfs/dbraw/zinc/12/35/59/572123559.db2.gz FKHYUGMSHHSSJK-SCZZXKLOSA-N 0 0 196.298 1.892 10 0 ADAERN CC(C)[S@@](=O)N(C)C1CCCC1 687786091 572123603 /nfs/dbraw/zinc/12/36/03/572123603.db2.gz HZEWIEVKVCKOOJ-GFCCVEGCSA-N 0 0 189.324 1.933 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccccn2)N1 71495759 572123618 /nfs/dbraw/zinc/12/36/18/572123618.db2.gz FEAHOPABMRTADH-APPZFPTMSA-N 0 0 164.208 1.089 10 0 ADAERN COC(=O)[C@H](NC1CCCC1)C(C)C 69610740 572123620 /nfs/dbraw/zinc/12/36/20/572123620.db2.gz VPGOIPRKJDQAHV-SNVBAGLBSA-N 0 0 199.294 1.716 10 0 ADAERN COC(=O)[C@H](N[C@H](C)C1CC1)C(C)C 69610598 572123650 /nfs/dbraw/zinc/12/36/50/572123650.db2.gz RAZAGRHEYZFMPG-PSASIEDQSA-N 0 0 199.294 1.572 10 0 ADAERN CC(C)[S@@](=O)N1C[C@@H](C)[C@@H](C)C1 687786062 572123669 /nfs/dbraw/zinc/12/36/69/572123669.db2.gz BZXLCGGFQNMECV-VDDIYKPWSA-N 0 0 189.324 1.646 10 0 ADAERN CC(C)[S@@](=O)N(C)C(C)(C)C 687786190 572123679 /nfs/dbraw/zinc/12/36/79/572123679.db2.gz 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/nfs/dbraw/zinc/12/38/62/572123862.db2.gz NKKYITYJXDUNQG-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CCn1ccc(N[C@H](C)[C@@H](C)OC)n1 300950090 572123899 /nfs/dbraw/zinc/12/38/99/572123899.db2.gz ZLZQATQKAPQMSA-RKDXNWHRSA-N 0 0 197.282 1.738 10 0 ADAERN CC(C)[S@](=O)N(C)C(C)(C)C 687786191 572123922 /nfs/dbraw/zinc/12/39/22/572123922.db2.gz ZWZNRWWMQAAPGM-NSHDSACASA-N 0 0 177.313 1.789 10 0 ADAERN Cc1cc(N[S@](=O)C(C)C)on1 687786182 572123946 /nfs/dbraw/zinc/12/39/46/572123946.db2.gz YFLHICHCWTYTDM-GFCCVEGCSA-N 0 0 188.252 1.467 10 0 ADAERN COCCCC[C@@]1(O)CCO[C@@H]1C 686326423 572123957 /nfs/dbraw/zinc/12/39/57/572123957.db2.gz NKKYITYJXDUNQG-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CC(C)[S@](=O)N1C[C@@H](C)[C@@H](C)C1 687786061 572123991 /nfs/dbraw/zinc/12/39/91/572123991.db2.gz BZXLCGGFQNMECV-SBMIAAHKSA-N 0 0 189.324 1.646 10 0 ADAERN CC(C)[S@](=O)N1C[C@@H](C)[C@H](C)C1 687786060 572124030 /nfs/dbraw/zinc/12/40/30/572124030.db2.gz BZXLCGGFQNMECV-LNLATYFQSA-N 0 0 189.324 1.646 10 0 ADAERN C/C=C\C=C/C(=O)Nc1ncc[nH]1 215118995 572124051 /nfs/dbraw/zinc/12/40/51/572124051.db2.gz IFWNIHPEVPFPLB-LDIADDGTSA-N 0 0 177.207 1.481 10 0 ADAERN CCCN(C1CC1)[S@](=O)C(C)C 687786093 572124068 /nfs/dbraw/zinc/12/40/68/572124068.db2.gz JBVLRVAZDWDBTJ-GFCCVEGCSA-N 0 0 189.324 1.933 10 0 ADAERN C/C=C\C=C\C(=O)Nc1ncc[nH]1 215119087 572124084 /nfs/dbraw/zinc/12/40/84/572124084.db2.gz IFWNIHPEVPFPLB-AWYLAFAOSA-N 0 0 177.207 1.481 10 0 ADAERN C[C@H]1CO[C@H](c2ccccn2)N1 71495758 572124101 /nfs/dbraw/zinc/12/41/01/572124101.db2.gz FEAHOPABMRTADH-IONNQARKSA-N 0 0 164.208 1.089 10 0 ADAERN CCn1ccc(N[C@@H](C)[C@H](C)OC)n1 300950089 572124154 /nfs/dbraw/zinc/12/41/54/572124154.db2.gz ZLZQATQKAPQMSA-IUCAKERBSA-N 0 0 197.282 1.738 10 0 ADAERN CC(=O)C[C@@H](C)Cc1ccnc(N)c1 82807043 572124159 /nfs/dbraw/zinc/12/41/59/572124159.db2.gz YMBOSIJGQRWDAH-MRVPVSSYSA-N 0 0 192.262 1.822 10 0 ADAERN C[C@@H]1CO[C@H](c2ccccn2)N1 71495757 572124162 /nfs/dbraw/zinc/12/41/62/572124162.db2.gz FEAHOPABMRTADH-VXNVDRBHSA-N 0 0 164.208 1.089 10 0 ADAERN COC(=O)[C@@](C)(NC1CC1)C1CC1 37459412 572124840 /nfs/dbraw/zinc/12/48/40/572124840.db2.gz BFFJZYPJMGUWRS-JTQLQIEISA-N 0 0 183.251 1.080 10 0 ADAERN CC[C@](C)(NC1CC1)C(=O)OC 37459382 572124300 /nfs/dbraw/zinc/12/43/00/572124300.db2.gz LRINUVASAODBTK-VIFPVBQESA-N 0 0 171.240 1.080 10 0 ADAERN COCCC[C@H](C)C[C@@H](C)O 82811805 572124846 /nfs/dbraw/zinc/12/48/46/572124846.db2.gz ZSOLTRTVZZMCOK-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN NC(=[NH2+])c1[n-]nc2c(Cl)cccc12 250225045 572124351 /nfs/dbraw/zinc/12/43/51/572124351.db2.gz VUUDVTLNPNGFRV-UHFFFAOYSA-N 0 0 194.625 1.500 10 0 ADAERN CCn1ccnc1[C@@H](C)CC(C)=O 82807254 572124389 /nfs/dbraw/zinc/12/43/89/572124389.db2.gz RBZVTUQYURDDGY-QMMMGPOBSA-N 0 0 180.251 1.986 10 0 ADAERN CC(=O)C[C@H](C)Cc1ccnc(N)c1 82807045 572124431 /nfs/dbraw/zinc/12/44/31/572124431.db2.gz YMBOSIJGQRWDAH-QMMMGPOBSA-N 0 0 192.262 1.822 10 0 ADAERN CCSCCc1oc(=O)[nH]c1N 300948637 572124466 /nfs/dbraw/zinc/12/44/66/572124466.db2.gz FFVDERUZAMCKIQ-YFKPBYRVSA-N 0 0 188.252 1.006 10 0 ADAERN C/C=C/COc1nc(C)cc(CO)n1 300949531 572124493 /nfs/dbraw/zinc/12/44/93/572124493.db2.gz TZSFZSNTQWTWSW-ONEGZZNKSA-N 0 0 194.234 1.232 10 0 ADAERN OC1CCC(n2cccc2)CC1 35120225 572124499 /nfs/dbraw/zinc/12/44/99/572124499.db2.gz OZBKZAOFBNEVBZ-UHFFFAOYSA-N 0 0 165.236 1.964 10 0 ADAERN C[C@H]1CN[C@@H](c2ccccn2)O1 71495756 572124506 /nfs/dbraw/zinc/12/45/06/572124506.db2.gz GEXUEJGGBLKCRE-IONNQARKSA-N 0 0 164.208 1.089 10 0 ADAERN Cc1cc(N[S@@](=O)C(C)C)on1 687786183 572124538 /nfs/dbraw/zinc/12/45/38/572124538.db2.gz YFLHICHCWTYTDM-LBPRGKRZSA-N 0 0 188.252 1.467 10 0 ADAERN CC(C)[S@](=O)NCC1CCCC1 687786140 572124546 /nfs/dbraw/zinc/12/45/46/572124546.db2.gz RAFBYMGIUBBBIJ-LBPRGKRZSA-N 0 0 189.324 1.838 10 0 ADAERN CCn1cc([C@H](C)C[C@H](C)O)cn1 82812054 572124591 /nfs/dbraw/zinc/12/45/91/572124591.db2.gz ABEDGBMKKNRIGJ-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN COCCC[C@H](C)C[C@H](C)O 82811808 572124631 /nfs/dbraw/zinc/12/46/31/572124631.db2.gz ZSOLTRTVZZMCOK-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@H](O)C[C@@H](C)Cc1cccnc1N 82812032 572124672 /nfs/dbraw/zinc/12/46/72/572124672.db2.gz UIQRPCVHTCQNIU-BDAKNGLRSA-N 0 0 194.278 1.613 10 0 ADAERN CCC[C@H](C)[NH2+][C@@H]1C=C[C@H](C(=O)[O-])C1 300346169 572124676 /nfs/dbraw/zinc/12/46/76/572124676.db2.gz HLZAZUPUCVMMNF-LPEHRKFASA-N 0 0 197.278 1.794 10 0 ADAERN CCCCC[C@@H](NC1CC1)C(=O)OC 37459436 572124729 /nfs/dbraw/zinc/12/47/29/572124729.db2.gz KAUWHFCKCPCXHQ-SNVBAGLBSA-N 0 0 199.294 1.860 10 0 ADAERN O=C1CCCC[C@]12CCC[C@H]2O 196185466 572124735 /nfs/dbraw/zinc/12/47/35/572124735.db2.gz JQPUCIVFQUYDMU-ZJUUUORDSA-N 0 0 168.236 1.661 10 0 ADAERN C[C@@H](O)C[C@H](C)Cc1cnn(C)c1 82811334 572124865 /nfs/dbraw/zinc/12/48/65/572124865.db2.gz MNZUSCKCKVOHEQ-DTWKUNHWSA-N 0 0 182.267 1.370 10 0 ADAERN C[C@@H](O)C[C@@H](C)OCC(F)(F)F 82815394 572124793 /nfs/dbraw/zinc/12/47/93/572124793.db2.gz MBQDMTBXFXXVQQ-PHDIDXHHSA-N 0 0 186.173 1.725 10 0 ADAERN CCc1nccn1[C@H](C)C[C@H](C)O 82815362 572124839 /nfs/dbraw/zinc/12/48/39/572124839.db2.gz WZEMCHXUGILZRF-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN COCC[C@H](C)[C@H](O)c1cn(C)cn1 300346618 572124872 /nfs/dbraw/zinc/12/48/72/572124872.db2.gz CZBDCFPYGJLYKO-WPRPVWTQSA-N 0 0 198.266 1.126 10 0 ADAERN CCCO[C@@H]1[C@@H](O)C[C@H]1OC(C)C 300343162 572124900 /nfs/dbraw/zinc/12/49/00/572124900.db2.gz AKALKMDFYLJKAK-IVZWLZJFSA-N 0 0 188.267 1.340 10 0 ADAERN CCC[C@@H](C)[C@H]([NH2+]C)c1cnn[n-]1 300344253 572124930 /nfs/dbraw/zinc/12/49/30/572124930.db2.gz PPXQIGUHRNVGFC-APPZFPTMSA-N 0 0 182.271 1.501 10 0 ADAERN CCn1cc(C[C@H](C)C[C@@H](C)O)cn1 82812116 572124940 /nfs/dbraw/zinc/12/49/40/572124940.db2.gz RVAQUCBJZFOPTO-NXEZZACHSA-N 0 0 196.294 1.853 10 0 ADAERN O=C1CCCC[C@@]12CCC[C@@H]2O 196185454 572124955 /nfs/dbraw/zinc/12/49/55/572124955.db2.gz JQPUCIVFQUYDMU-VHSXEESVSA-N 0 0 168.236 1.661 10 0 ADAERN CCCO[C@@H]1[C@H](O)C[C@H]1OC(C)C 300343164 572124962 /nfs/dbraw/zinc/12/49/62/572124962.db2.gz AKALKMDFYLJKAK-OPRDCNLKSA-N 0 0 188.267 1.340 10 0 ADAERN CC(=O)[C@H](c1ccccc1)[C@H](C)O 196185434 572124977 /nfs/dbraw/zinc/12/49/77/572124977.db2.gz FHUFJTUGEOAKJX-GZMMTYOYSA-N 0 0 178.231 1.740 10 0 ADAERN O=C1CCCCC[C@H](CCCO)O1 196185048 572124981 /nfs/dbraw/zinc/12/49/81/572124981.db2.gz SMRGFNKTWMFEIW-SECBINFHSA-N 0 0 186.251 1.635 10 0 ADAERN C[C@H](O)C[C@@H](C)Cc1cnn(C)c1 82811336 572124998 /nfs/dbraw/zinc/12/49/98/572124998.db2.gz MNZUSCKCKVOHEQ-BDAKNGLRSA-N 0 0 182.267 1.370 10 0 ADAERN COC(=O)[C@@H](CC(C)C)NC1CC1 37459473 572125013 /nfs/dbraw/zinc/12/50/13/572125013.db2.gz WLYJNSBJAHOORC-SECBINFHSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@H](O)C[C@@H](C)OCC(F)(F)F 82815393 572125024 /nfs/dbraw/zinc/12/50/24/572125024.db2.gz MBQDMTBXFXXVQQ-NTSWFWBYSA-N 0 0 186.173 1.725 10 0 ADAERN CCc1nccn1[C@H](C)C[C@@H](C)O 82815360 572125031 /nfs/dbraw/zinc/12/50/31/572125031.db2.gz WZEMCHXUGILZRF-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN CCn1cc([C@H](C)C[C@@H](C)O)cn1 82812050 572125039 /nfs/dbraw/zinc/12/50/39/572125039.db2.gz ABEDGBMKKNRIGJ-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN CCC[C@@H](C)[C@H](CC[NH3+])C(=O)[O-] 300345890 572125076 /nfs/dbraw/zinc/12/50/76/572125076.db2.gz GZEZCNZRALXPSO-SFYZADRCSA-N 0 0 173.256 1.472 10 0 ADAERN CCC[C@@H](C)[C@H](NN)c1cn(C)cn1 300346829 572125105 /nfs/dbraw/zinc/12/51/05/572125105.db2.gz JGSZEZAGNDWZSO-SCZZXKLOSA-N 0 0 196.298 1.361 10 0 ADAERN CCC[C@@H](C)[C@H](O)C(OC)OC 300345349 572125121 /nfs/dbraw/zinc/12/51/21/572125121.db2.gz GAXLTGSYLPANRT-SFYZADRCSA-N 0 0 176.256 1.402 10 0 ADAERN C[C@@H](C[C@@H](C)O)OCC(F)(F)F 82815396 572125122 /nfs/dbraw/zinc/12/51/22/572125122.db2.gz MBQDMTBXFXXVQQ-RITPCOANSA-N 0 0 186.173 1.725 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@H](O)C(C)C 300346470 572125125 /nfs/dbraw/zinc/12/51/25/572125125.db2.gz IHRBAQCJVZRZGT-IVZWLZJFSA-N 0 0 174.284 1.800 10 0 ADAERN CC(=O)[C@@H](c1ccccc1)[C@@H](C)O 196185450 572125151 /nfs/dbraw/zinc/12/51/51/572125151.db2.gz FHUFJTUGEOAKJX-KCJUWKMLSA-N 0 0 178.231 1.740 10 0 ADAERN CCC[C@@H](C)[C@@]1(C(=O)[O-])CC[NH2+]C1 300344958 572125169 /nfs/dbraw/zinc/12/51/69/572125169.db2.gz DYUGHZNDJKDBJH-PSASIEDQSA-N 0 0 185.267 1.487 10 0 ADAERN C[C@]1(CCCO)CCCCC(=O)O1 196185240 572125170 /nfs/dbraw/zinc/12/51/70/572125170.db2.gz HRLWKKXWYDOKMD-SNVBAGLBSA-N 0 0 186.251 1.635 10 0 ADAERN O=c1cccccc1SCCO 196184068 572125179 /nfs/dbraw/zinc/12/51/79/572125179.db2.gz QQQKHTAQQSFNHJ-UHFFFAOYSA-N 0 0 182.244 1.131 10 0 ADAERN CCn1nccc1[C@@H](C)C[C@@H](C)O 82811731 572125183 /nfs/dbraw/zinc/12/51/83/572125183.db2.gz YHCZPQBSAJGXDP-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN C=CN1CC[C@H](C(=O)C(C)(C)C)C1=O 196185701 572125235 /nfs/dbraw/zinc/12/52/35/572125235.db2.gz VYDPSRKWTKRQTN-MRVPVSSYSA-N 0 0 195.262 1.594 10 0 ADAERN CCC[C@H](NC1CC1)C(=O)OC 37459482 572125298 /nfs/dbraw/zinc/12/52/98/572125298.db2.gz FSBLIYWDEFJBCW-QMMMGPOBSA-N 0 0 171.240 1.080 10 0 ADAERN OCCO[C@@]12CCCCC[C@H]1C2 196185983 572125273 /nfs/dbraw/zinc/12/52/73/572125273.db2.gz JCISZEPOTCOXIK-VHSXEESVSA-N 0 0 170.252 1.718 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@H]1CCCO1 300346687 572125346 /nfs/dbraw/zinc/12/53/46/572125346.db2.gz JMSXOBZDGFJLEX-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@@H](C)[C@H](NN)c1ccnnc1 300343718 572125353 /nfs/dbraw/zinc/12/53/53/572125353.db2.gz NMCVTTFAIKFZRB-SCZZXKLOSA-N 0 0 194.282 1.417 10 0 ADAERN C[C@H](O)C[C@H](C)OCC(F)(F)F 82815395 572125381 /nfs/dbraw/zinc/12/53/81/572125381.db2.gz MBQDMTBXFXXVQQ-WDSKDSINSA-N 0 0 186.173 1.725 10 0 ADAERN CCN(C(C)C)[S@@](=O)C(C)C 687786218 572125389 /nfs/dbraw/zinc/12/53/89/572125389.db2.gz BMPKIKGDZZIVAM-NSHDSACASA-N 0 0 177.313 1.789 10 0 ADAERN CC(=O)[C@H](c1ccccc1)[C@@H](C)O 196185439 572125416 /nfs/dbraw/zinc/12/54/16/572125416.db2.gz FHUFJTUGEOAKJX-LDYMZIIASA-N 0 0 178.231 1.740 10 0 ADAERN CCCO[C@@H]1C[C@@H](O)[C@H]1OCCC 300343506 572125589 /nfs/dbraw/zinc/12/55/89/572125589.db2.gz DTKUPMIVLZQYMX-OPRDCNLKSA-N 0 0 188.267 1.341 10 0 ADAERN C[C@@H](Cc1cccnc1N)C[C@@H](C)O 82812029 572125607 /nfs/dbraw/zinc/12/56/07/572125607.db2.gz UIQRPCVHTCQNIU-RKDXNWHRSA-N 0 0 194.278 1.613 10 0 ADAERN CCC[C@H](C)[C@@H](NN)[C@H](CC)OC 300346223 572125619 /nfs/dbraw/zinc/12/56/19/572125619.db2.gz HUPHWRPGPNLGJU-LPEHRKFASA-N 0 0 188.315 1.680 10 0 ADAERN OCCO[C@@]12CCCC[C@@H]1C2 196185959 572125634 /nfs/dbraw/zinc/12/56/34/572125634.db2.gz DHMUFFGQFJKYAB-RKDXNWHRSA-N 0 0 156.225 1.328 10 0 ADAERN C[C@@H](O)C[C@H](C)Cc1cccnc1N 82812030 572125656 /nfs/dbraw/zinc/12/56/56/572125656.db2.gz UIQRPCVHTCQNIU-DTWKUNHWSA-N 0 0 194.278 1.613 10 0 ADAERN CCn1nccc1[C@H](C)C[C@H](C)O 82811738 572125661 /nfs/dbraw/zinc/12/56/61/572125661.db2.gz YHCZPQBSAJGXDP-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN O=C1Cc2ccc3c(c21)C(=O)C3 196181780 572125664 /nfs/dbraw/zinc/12/56/64/572125664.db2.gz HBKCGZYEKOYJTK-UHFFFAOYSA-N 0 0 158.156 1.164 10 0 ADAERN CCC[C@H](C)[C@@H]1CC[C@H](C(=O)[O-])[NH2+]1 300345471 572125713 /nfs/dbraw/zinc/12/57/13/572125713.db2.gz GFHDSQPIIIVRFV-XHNCKOQMSA-N 0 0 185.267 1.628 10 0 ADAERN COCCC[C@@H](C)C[C@@H](C)O 82811806 572125717 /nfs/dbraw/zinc/12/57/17/572125717.db2.gz ZSOLTRTVZZMCOK-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN COCC[C@H](C)[C@@H](O)c1cn(C)cn1 300346617 572125728 /nfs/dbraw/zinc/12/57/28/572125728.db2.gz CZBDCFPYGJLYKO-WCBMZHEXSA-N 0 0 198.266 1.126 10 0 ADAERN COC[C@H](C)[C@@](C)(O)C1(C)CC1 687786748 572125771 /nfs/dbraw/zinc/12/57/71/572125771.db2.gz QTJQPMZQGBFZTF-WCBMZHEXSA-N 0 0 172.268 1.820 10 0 ADAERN C[Si](C)(C)Cn1cccn1 196186305 572125805 /nfs/dbraw/zinc/12/58/05/572125805.db2.gz CSSHCOPQZBKZJM-UHFFFAOYSA-N 0 0 154.289 1.761 10 0 ADAERN CCCO[C@@H]1C[C@H](O)[C@H]1OCCC 300343505 572125835 /nfs/dbraw/zinc/12/58/35/572125835.db2.gz DTKUPMIVLZQYMX-IVZWLZJFSA-N 0 0 188.267 1.341 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H]1CCCO1 300346686 572125848 /nfs/dbraw/zinc/12/58/48/572125848.db2.gz JMSXOBZDGFJLEX-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN CCCCC[C@H](NC1CC1)C(=O)OC 37459435 572125861 /nfs/dbraw/zinc/12/58/61/572125861.db2.gz KAUWHFCKCPCXHQ-JTQLQIEISA-N 0 0 199.294 1.860 10 0 ADAERN CCC[C@@H](C)[C@H](NN)c1cncn1C 300346449 572125873 /nfs/dbraw/zinc/12/58/73/572125873.db2.gz ICFOYHWLOXPGGL-SCZZXKLOSA-N 0 0 196.298 1.361 10 0 ADAERN CCc1nccn1[C@@H](C)C[C@H](C)O 82815361 572125911 /nfs/dbraw/zinc/12/59/11/572125911.db2.gz WZEMCHXUGILZRF-IUCAKERBSA-N 0 0 182.267 1.777 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@](C)(O)CC 300346192 572125932 /nfs/dbraw/zinc/12/59/32/572125932.db2.gz HOMMPLHOHBTCJY-LPEHRKFASA-N 0 0 174.284 1.945 10 0 ADAERN COCCCO[C@@H](C)C[C@@H](C)O 82815390 572125944 /nfs/dbraw/zinc/12/59/44/572125944.db2.gz UKHDKZDVNKIYAW-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H](O)C(C)C 300346469 572125945 /nfs/dbraw/zinc/12/59/45/572125945.db2.gz IHRBAQCJVZRZGT-AEJSXWLSSA-N 0 0 174.284 1.800 10 0 ADAERN OCCO[C@]12CCCCC[C@@H]1C2 196185991 572125984 /nfs/dbraw/zinc/12/59/84/572125984.db2.gz JCISZEPOTCOXIK-ZJUUUORDSA-N 0 0 170.252 1.718 10 0 ADAERN CC(C)[S@](=O)NCC(F)(F)F 687786340 572125989 /nfs/dbraw/zinc/12/59/89/572125989.db2.gz KDPBYRKYIKWIHZ-NSHDSACASA-N 0 0 189.202 1.210 10 0 ADAERN CCn1ccnc1[C@H](C)C[C@H](C)O 82812173 572126001 /nfs/dbraw/zinc/12/60/01/572126001.db2.gz SEINUFJASWLLCZ-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN C[C@@]12CC(=O)O[C@H]1Nc1ccccc12 196185504 572126015 /nfs/dbraw/zinc/12/60/15/572126015.db2.gz VDFZDNWXAKPKCJ-MNOVXSKESA-N 0 0 189.214 1.643 10 0 ADAERN OCCO[C@]12CCCCC[C@H]1C2 196186001 572126039 /nfs/dbraw/zinc/12/60/39/572126039.db2.gz JCISZEPOTCOXIK-UWVGGRQHSA-N 0 0 170.252 1.718 10 0 ADAERN O=C1CCCCC[C@H](O)CCCO1 196185080 572126043 /nfs/dbraw/zinc/12/60/43/572126043.db2.gz IWAPNJLAVPQJNY-VIFPVBQESA-N 0 0 186.251 1.635 10 0 ADAERN COCCC[C@@H](C)C[C@H](C)O 82811810 572126045 /nfs/dbraw/zinc/12/60/45/572126045.db2.gz ZSOLTRTVZZMCOK-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN COC[C@@H](C)[C@@](C)(O)C1(C)CC1 687786745 572126046 /nfs/dbraw/zinc/12/60/46/572126046.db2.gz QTJQPMZQGBFZTF-PSASIEDQSA-N 0 0 172.268 1.820 10 0 ADAERN CCn1ccnc1[C@@H](C)C[C@@H](C)O 82812167 572126048 /nfs/dbraw/zinc/12/60/48/572126048.db2.gz SEINUFJASWLLCZ-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN C[Si](C)(C)c1cc(CO)co1 196183862 572126794 /nfs/dbraw/zinc/12/67/94/572126794.db2.gz GSMUPTHGSLMVML-UHFFFAOYSA-N 0 0 170.284 1.317 10 0 ADAERN CCC[C@@H](C)[C@@]1(CO)CCOC1 300344975 572126090 /nfs/dbraw/zinc/12/60/90/572126090.db2.gz FBEYMXLITHUZHR-NXEZZACHSA-N 0 0 172.268 1.822 10 0 ADAERN CCn1cc(C[C@@H](C)C[C@H](C)O)cn1 82812118 572126107 /nfs/dbraw/zinc/12/61/07/572126107.db2.gz RVAQUCBJZFOPTO-UWVGGRQHSA-N 0 0 196.294 1.853 10 0 ADAERN CCC(=O)C[C@@]1(C)CO1 196181469 572126153 /nfs/dbraw/zinc/12/61/53/572126153.db2.gz WROZTJSXHIBIEO-ZETCQYMHSA-N 0 0 128.171 1.145 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@](C)(O)CC 300346191 572126161 /nfs/dbraw/zinc/12/61/61/572126161.db2.gz HOMMPLHOHBTCJY-IVZWLZJFSA-N 0 0 174.284 1.945 10 0 ADAERN CCn1cc([C@@H](C)C[C@H](C)O)cn1 82812052 572126191 /nfs/dbraw/zinc/12/61/91/572126191.db2.gz ABEDGBMKKNRIGJ-IUCAKERBSA-N 0 0 182.267 1.777 10 0 ADAERN CCC[C@H](C)[C@H](NN)[C@H](CC)OC 300346222 572126207 /nfs/dbraw/zinc/12/62/07/572126207.db2.gz HUPHWRPGPNLGJU-GUBZILKMSA-N 0 0 188.315 1.680 10 0 ADAERN NC1OC(c2ccccn2)C(=O)C1=O 18067559 572126221 /nfs/dbraw/zinc/12/62/21/572126221.db2.gz VAXKMSAMXNMYBO-UHFFFAOYSA-N 0 0 192.174 1.335 10 0 ADAERN CC(=O)C(C)(C)C(C)(C)O 196185423 572126223 /nfs/dbraw/zinc/12/62/23/572126223.db2.gz OMVOGGRXOPWJJY-UHFFFAOYSA-N 0 0 144.214 1.373 10 0 ADAERN CCC[C@@H](C)[C@@](CC)(C[NH3+])C(=O)[O-] 300344398 572126251 /nfs/dbraw/zinc/12/62/51/572126251.db2.gz QMTLZFBWKZCQLO-PSASIEDQSA-N 0 0 187.283 1.862 10 0 ADAERN CCn1ccnc1[C@@H](C)C[C@H](C)O 82812171 572126272 /nfs/dbraw/zinc/12/62/72/572126272.db2.gz SEINUFJASWLLCZ-IUCAKERBSA-N 0 0 182.267 1.777 10 0 ADAERN CCC[C@@H](C)[C@@](C)(O)C(OC)OC 300345269 572126278 /nfs/dbraw/zinc/12/62/78/572126278.db2.gz FTVGOCMABNEBIS-PSASIEDQSA-N 0 0 190.283 1.793 10 0 ADAERN CCCC[C@H](NN)c1cn(C)cn1 300346579 572126289 /nfs/dbraw/zinc/12/62/89/572126289.db2.gz BFDGSCBLMDTUNP-QMMMGPOBSA-N 0 0 182.271 1.115 10 0 ADAERN COC(=O)C1=CC[C@@H](C)C1 196181611 572126292 /nfs/dbraw/zinc/12/62/92/572126292.db2.gz GRIBBCQSVBDQLW-ZCFIWIBFSA-N 0 0 140.182 1.516 10 0 ADAERN COC(=N)CCc1cccnc1 71495780 572126311 /nfs/dbraw/zinc/12/63/11/572126311.db2.gz HFBIFAXLWYYYGA-UHFFFAOYSA-N 0 0 164.208 1.638 10 0 ADAERN CCN(C(C)C)[S@](=O)C(C)C 687786217 572126322 /nfs/dbraw/zinc/12/63/22/572126322.db2.gz BMPKIKGDZZIVAM-LLVKDONJSA-N 0 0 177.313 1.789 10 0 ADAERN CCC[C@H](C)[C@H](C[C@H](C)OC)NN 300346173 572126327 /nfs/dbraw/zinc/12/63/27/572126327.db2.gz HMMGDORPWFCASJ-GUBZILKMSA-N 0 0 188.315 1.680 10 0 ADAERN CCn1cc(C[C@H](C)C[C@H](C)O)cn1 82812120 572126376 /nfs/dbraw/zinc/12/63/76/572126376.db2.gz RVAQUCBJZFOPTO-ZJUUUORDSA-N 0 0 196.294 1.853 10 0 ADAERN COC(=O)[C@@](C)(CC(C)C)NC1CC1 37459400 572126386 /nfs/dbraw/zinc/12/63/86/572126386.db2.gz UQBXPSRGMPBLDQ-LLVKDONJSA-N 0 0 199.294 1.716 10 0 ADAERN CCn1nccc1[C@H](C)C[C@@H](C)O 82811732 572126407 /nfs/dbraw/zinc/12/64/07/572126407.db2.gz YHCZPQBSAJGXDP-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN CCn1nccc1C(C)(C)C[C@H](C)O 82817109 572127536 /nfs/dbraw/zinc/12/75/36/572127536.db2.gz UMTDTEOHSZKVJX-VIFPVBQESA-N 0 0 196.294 1.952 10 0 ADAERN CCC[C@H](C)[C@H]1CC[C@H](C(=O)[O-])[NH2+]1 300345470 572126447 /nfs/dbraw/zinc/12/64/47/572126447.db2.gz GFHDSQPIIIVRFV-DJLDLDEBSA-N 0 0 185.267 1.628 10 0 ADAERN CCn1cc([C@@H](C)C[C@@H](C)O)cn1 82812048 572126449 /nfs/dbraw/zinc/12/64/49/572126449.db2.gz ABEDGBMKKNRIGJ-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN C[C@@]1(CCCO)CCCCC(=O)O1 196185249 572126485 /nfs/dbraw/zinc/12/64/85/572126485.db2.gz HRLWKKXWYDOKMD-JTQLQIEISA-N 0 0 186.251 1.635 10 0 ADAERN CCC[C@H](C)[NH2+][C@H]1C=C[C@H](C(=O)[O-])C1 300346168 572126513 /nfs/dbraw/zinc/12/65/13/572126513.db2.gz HLZAZUPUCVMMNF-GUBZILKMSA-N 0 0 197.278 1.794 10 0 ADAERN COC(=O)[C@H](CC(C)C)NC1CC1 37459472 572126569 /nfs/dbraw/zinc/12/65/69/572126569.db2.gz WLYJNSBJAHOORC-VIFPVBQESA-N 0 0 185.267 1.326 10 0 ADAERN CCC[C@@H](C)[C@H](CCOC)NN 300343887 572126612 /nfs/dbraw/zinc/12/66/12/572126612.db2.gz BRTJJIQRKCKBSQ-BDAKNGLRSA-N 0 0 174.288 1.291 10 0 ADAERN CCC[C@H](C)[C@@H](C[C@H](C)OC)NN 300346174 572126627 /nfs/dbraw/zinc/12/66/27/572126627.db2.gz HMMGDORPWFCASJ-LPEHRKFASA-N 0 0 188.315 1.680 10 0 ADAERN CCC[C@@H](C)[C@H](C(C)=O)C(=O)OC 300345262 572126643 /nfs/dbraw/zinc/12/66/43/572126643.db2.gz FTPDWPIHELQKKO-VXNVDRBHSA-N 0 0 186.251 1.801 10 0 ADAERN CCC[C@H](C)[C@@H](NN)[C@H]1CCCO1 300345553 572126678 /nfs/dbraw/zinc/12/66/78/572126678.db2.gz GQMCRASDCMXROY-IVZWLZJFSA-N 0 0 186.299 1.434 10 0 ADAERN CCC[C@@H](C)[C@H](CSC)NN 300345953 572126686 /nfs/dbraw/zinc/12/66/86/572126686.db2.gz HKMAPEYZTFYZRE-SFYZADRCSA-N 0 0 176.329 1.618 10 0 ADAERN Cn1ccc(CCCCON)c1 71496323 572128461 /nfs/dbraw/zinc/12/84/61/572128461.db2.gz QJWDCTFSHZEBFL-UHFFFAOYSA-N 0 0 168.240 1.238 10 0 ADAERN COc1cc2c(cc1O)NCCC2 196181726 572126726 /nfs/dbraw/zinc/12/67/26/572126726.db2.gz JBSSCYAJZVDFSI-UHFFFAOYSA-N 0 0 179.219 1.759 10 0 ADAERN CC[C@H](O)c1cccc2c1OCO2 196182251 572126734 /nfs/dbraw/zinc/12/67/34/572126734.db2.gz FZTMCJLDMIPDSW-QMMMGPOBSA-N 0 0 180.203 1.859 10 0 ADAERN CCC[C@@H](C)[C@@](C)(C[NH3+])C(=O)[O-] 300346436 572126742 /nfs/dbraw/zinc/12/67/42/572126742.db2.gz ZXIZMDWMNSRDJP-VXNVDRBHSA-N 0 0 173.256 1.472 10 0 ADAERN CCC[C@@H](NC1CC1)C(=O)OC 37459483 572126775 /nfs/dbraw/zinc/12/67/75/572126775.db2.gz FSBLIYWDEFJBCW-MRVPVSSYSA-N 0 0 171.240 1.080 10 0 ADAERN O=C1C2CCC1(Cl)CC2 196185667 572126796 /nfs/dbraw/zinc/12/67/96/572126796.db2.gz CBJQDAMRPMRIGG-UHFFFAOYSA-N 0 0 144.601 1.737 10 0 ADAERN O=C1CCCCC[C@@H](CCCO)O1 196185055 572126809 /nfs/dbraw/zinc/12/68/09/572126809.db2.gz SMRGFNKTWMFEIW-VIFPVBQESA-N 0 0 186.251 1.635 10 0 ADAERN C[C@]1(O)CCCCCC1=O 196184026 572126854 /nfs/dbraw/zinc/12/68/54/572126854.db2.gz CREMWICPHOFKBR-QMMMGPOBSA-N 0 0 142.198 1.271 10 0 ADAERN CCc1nccn1[C@@H](C)C[C@@H](C)O 82815358 572126855 /nfs/dbraw/zinc/12/68/55/572126855.db2.gz WZEMCHXUGILZRF-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN CCn1ccnc1[C@H](C)C[C@@H](C)O 82812169 572126864 /nfs/dbraw/zinc/12/68/64/572126864.db2.gz SEINUFJASWLLCZ-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN COCCCO[C@H](C)C[C@@H](C)O 82815388 572126867 /nfs/dbraw/zinc/12/68/67/572126867.db2.gz UKHDKZDVNKIYAW-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN COCCCO[C@H](C)C[C@H](C)O 82815387 572126882 /nfs/dbraw/zinc/12/68/82/572126882.db2.gz UKHDKZDVNKIYAW-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@]12CC(=O)O[C@H]1Nc1ccccc12 196185510 572126890 /nfs/dbraw/zinc/12/68/90/572126890.db2.gz VDFZDNWXAKPKCJ-GHMZBOCLSA-N 0 0 189.214 1.643 10 0 ADAERN O=CNc1cc(-c2ccccc2)no1 196184198 572126895 /nfs/dbraw/zinc/12/68/95/572126895.db2.gz XLXPTLHHWWKEFV-UHFFFAOYSA-N 0 0 188.186 1.910 10 0 ADAERN CCn1cc(C[C@@H](C)C[C@@H](C)O)cn1 82812114 572126896 /nfs/dbraw/zinc/12/68/96/572126896.db2.gz RVAQUCBJZFOPTO-VHSXEESVSA-N 0 0 196.294 1.853 10 0 ADAERN CCn1nccc1[C@@H](C)C[C@H](C)O 82811734 572126898 /nfs/dbraw/zinc/12/68/98/572126898.db2.gz YHCZPQBSAJGXDP-IUCAKERBSA-N 0 0 182.267 1.777 10 0 ADAERN CC(=O)C1=C(O)CCCC1(C)C 196180390 572126899 /nfs/dbraw/zinc/12/68/99/572126899.db2.gz SAXRDSONVLHHOZ-SECBINFHSA-N 0 0 168.236 1.971 10 0 ADAERN C[C@H](O)C[C@H](C)Cc1cnn(C)c1 82811338 572126916 /nfs/dbraw/zinc/12/69/16/572126916.db2.gz MNZUSCKCKVOHEQ-IUCAKERBSA-N 0 0 182.267 1.370 10 0 ADAERN CC[C@@H](O)c1cccc2c1OCO2 196182256 572126929 /nfs/dbraw/zinc/12/69/29/572126929.db2.gz FZTMCJLDMIPDSW-MRVPVSSYSA-N 0 0 180.203 1.859 10 0 ADAERN CCCC(=O)NC(=O)OC(C)(C)C 196184608 572126933 /nfs/dbraw/zinc/12/69/33/572126933.db2.gz OPBRAKQGNHTBTP-UHFFFAOYSA-N 0 0 187.239 1.838 10 0 ADAERN C[C@]12CC(=O)O[C@@H]1Nc1ccccc12 196185498 572126959 /nfs/dbraw/zinc/12/69/59/572126959.db2.gz VDFZDNWXAKPKCJ-WDEREUQCSA-N 0 0 189.214 1.643 10 0 ADAERN COCCCO[C@@H](C)C[C@H](C)O 82815389 572127003 /nfs/dbraw/zinc/12/70/03/572127003.db2.gz UKHDKZDVNKIYAW-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN CC(=O)C1=C(O)CCCC1(C)C 196180399 572127008 /nfs/dbraw/zinc/12/70/08/572127008.db2.gz SAXRDSONVLHHOZ-VIFPVBQESA-N 0 0 168.236 1.971 10 0 ADAERN CCOC(=O)[C@@](C)(CC(C)C)NC 37458637 572127076 /nfs/dbraw/zinc/12/70/76/572127076.db2.gz JCRHYDDKQKKYLP-SNVBAGLBSA-N 0 0 187.283 1.574 10 0 ADAERN CCC(=O)C[C@]1(C)CO1 196181462 572127136 /nfs/dbraw/zinc/12/71/36/572127136.db2.gz WROZTJSXHIBIEO-SSDOTTSWSA-N 0 0 128.171 1.145 10 0 ADAERN CCC[C@@](C)(NC1CC1)C(=O)OCC 37459500 572127137 /nfs/dbraw/zinc/12/71/37/572127137.db2.gz QDIKTTAINAKUKR-LLVKDONJSA-N 0 0 199.294 1.860 10 0 ADAERN CCN[C@@H](CC(C)C)C(=O)OCC 37447409 572127150 /nfs/dbraw/zinc/12/71/50/572127150.db2.gz GFABURBZZFDIQE-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN CC1(C)OC(=O)c2ccc(C=O)cc21 196183364 572127160 /nfs/dbraw/zinc/12/71/60/572127160.db2.gz YHNUMNGAHOUNRM-UHFFFAOYSA-N 0 0 190.198 1.905 10 0 ADAERN CCOC(=O)[C@](C)(NC(C)C)C1CC1 37446187 572127174 /nfs/dbraw/zinc/12/71/74/572127174.db2.gz LRWXANVHPAXDLJ-LLVKDONJSA-N 0 0 199.294 1.716 10 0 ADAERN OCCO[C@@]12CCCCC[C@@H]1C2 196185973 572126985 /nfs/dbraw/zinc/12/69/85/572126985.db2.gz JCISZEPOTCOXIK-NXEZZACHSA-N 0 0 170.252 1.718 10 0 ADAERN CCOC(=O)[C@@](C)(CC)NC1CC1 37459502 572127215 /nfs/dbraw/zinc/12/72/15/572127215.db2.gz WKUBDFAADBOPJE-SNVBAGLBSA-N 0 0 185.267 1.470 10 0 ADAERN CCC[C@@](C)(NC(C)C)C(=O)OC 37445663 572127222 /nfs/dbraw/zinc/12/72/22/572127222.db2.gz CNYYUSXUQQZUQE-SNVBAGLBSA-N 0 0 187.283 1.716 10 0 ADAERN O=C1CCCC[C@@]12CCC[C@H]2O 196185460 572127223 /nfs/dbraw/zinc/12/72/23/572127223.db2.gz JQPUCIVFQUYDMU-NXEZZACHSA-N 0 0 168.236 1.661 10 0 ADAERN COC[C@@H](C)[C@](C)(O)C1(C)CC1 687786747 572127232 /nfs/dbraw/zinc/12/72/32/572127232.db2.gz QTJQPMZQGBFZTF-SCZZXKLOSA-N 0 0 172.268 1.820 10 0 ADAERN CCN[C@](C)(CC(C)C)C(=O)OC 37446730 572127243 /nfs/dbraw/zinc/12/72/43/572127243.db2.gz DCWNAWPYZJBCRR-SNVBAGLBSA-N 0 0 187.283 1.574 10 0 ADAERN CCCCO[C@@H](C)C[C@@H](C)O 82815561 572127257 /nfs/dbraw/zinc/12/72/57/572127257.db2.gz PJUKPOIBXFXOOO-BDAKNGLRSA-N 0 0 160.257 1.963 10 0 ADAERN CCOC(=O)[C@@H](NC)C1CCCCC1 37458810 572127264 /nfs/dbraw/zinc/12/72/64/572127264.db2.gz KPRRULOKGYEZJQ-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN C[C@@]1(O)CCCCCC1=O 196184029 572127289 /nfs/dbraw/zinc/12/72/89/572127289.db2.gz CREMWICPHOFKBR-MRVPVSSYSA-N 0 0 142.198 1.271 10 0 ADAERN CCC[C@@](C)(NCC)C(=O)OCC 37447052 572127307 /nfs/dbraw/zinc/12/73/07/572127307.db2.gz NPGUOUBNAVLBOY-SNVBAGLBSA-N 0 0 187.283 1.718 10 0 ADAERN CC(C)[S@@](=O)NCC(F)(F)F 687786339 572127321 /nfs/dbraw/zinc/12/73/21/572127321.db2.gz KDPBYRKYIKWIHZ-LLVKDONJSA-N 0 0 189.202 1.210 10 0 ADAERN CCCCC[C@@H](NCC)C(=O)OC 37446835 572128473 /nfs/dbraw/zinc/12/84/73/572128473.db2.gz FQSHIHVSPWNJMA-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN CCC[C@H](C)[C@H](NN)[C@H]1C[C@H]1C 300348768 572127332 /nfs/dbraw/zinc/12/73/32/572127332.db2.gz OYGRLZQEGVEGNU-JXUBOQSCSA-N 0 0 170.300 1.911 10 0 ADAERN CCC[C@@H](C)[C@H](CCOCC)NN 300347279 572127341 /nfs/dbraw/zinc/12/73/41/572127341.db2.gz KWLVLMHOFSJAHZ-ZJUUUORDSA-N 0 0 188.315 1.681 10 0 ADAERN CC[C@@H](C)[S@](=O)[C@@H]1CCC(=O)C1 82821598 572127344 /nfs/dbraw/zinc/12/73/44/572127344.db2.gz CUHIWJXUGWIALI-JWKOBGCHSA-N 0 0 188.292 1.655 10 0 ADAERN CCOC(=O)[C@H](NC)c1ccsc1 37458795 572127362 /nfs/dbraw/zinc/12/73/62/572127362.db2.gz QHWCEVHZAZKENK-MRVPVSSYSA-N 0 0 199.275 1.572 10 0 ADAERN CC(C)CO[C@@H](C)C[C@@H](C)O 82815506 572127370 /nfs/dbraw/zinc/12/73/70/572127370.db2.gz FQUOWDMZZAUDCK-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN C[C@@H](O)C[C@@H](C)OC[C@@H]1CCOC1 82815572 572127424 /nfs/dbraw/zinc/12/74/24/572127424.db2.gz ZQFRUAJFUYIHEG-OPRDCNLKSA-N 0 0 188.267 1.199 10 0 ADAERN ONCCc1cccc(F)c1 81135872 572127439 /nfs/dbraw/zinc/12/74/39/572127439.db2.gz 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572127586 /nfs/dbraw/zinc/12/75/86/572127586.db2.gz NDUYFRPJHBVNKE-VIFPVBQESA-N 0 0 173.256 1.326 10 0 ADAERN CC(C)OCCO[C@H](C)C[C@@H](C)O 82815519 572127589 /nfs/dbraw/zinc/12/75/89/572127589.db2.gz GYAIAKRNXZHTFW-NXEZZACHSA-N 0 0 190.283 1.587 10 0 ADAERN CCC[C@](C)(NC)C(=O)OCC 37458532 572127590 /nfs/dbraw/zinc/12/75/90/572127590.db2.gz WWJOSEWNQUPBRX-VIFPVBQESA-N 0 0 173.256 1.328 10 0 ADAERN CCC[C@@H](C)[C@@](C)(O)COC 300348025 572127601 /nfs/dbraw/zinc/12/76/01/572127601.db2.gz NBDGFEHHTBJYIN-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CCCCO[C@H](C)C[C@H](C)O 82815563 572127612 /nfs/dbraw/zinc/12/76/12/572127612.db2.gz PJUKPOIBXFXOOO-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN CCOC(=O)[C@H](NC)C1CCCCC1 37458809 572127614 /nfs/dbraw/zinc/12/76/14/572127614.db2.gz KPRRULOKGYEZJQ-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@@H](O)CC(C)(C)Cc1cnn(C)c1 82817000 572127618 /nfs/dbraw/zinc/12/76/18/572127618.db2.gz GHGNLWOUGOODLI-SECBINFHSA-N 0 0 196.294 1.760 10 0 ADAERN 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190.283 1.589 10 0 ADAERN C[C@H](O)C[C@H](C)OC[C@@H]1CCCO1 82815488 572127662 /nfs/dbraw/zinc/12/76/62/572127662.db2.gz RYBDYAHZVDADSV-GUBZILKMSA-N 0 0 188.267 1.341 10 0 ADAERN CCOCCO[C@H](C)C[C@H](C)O 82815497 572127673 /nfs/dbraw/zinc/12/76/73/572127673.db2.gz DGCOQWUCRNOALY-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN CCC[C@H](C)[C@H](NN)[C@@H]1C[C@H]1C 300348767 572127684 /nfs/dbraw/zinc/12/76/84/572127684.db2.gz OYGRLZQEGVEGNU-JLIMGVALSA-N 0 0 170.300 1.911 10 0 ADAERN CCn1ccnc1C(C)(C)C[C@H](C)O 82817215 572127685 /nfs/dbraw/zinc/12/76/85/572127685.db2.gz YRMLAZYBSSWEFP-VIFPVBQESA-N 0 0 196.294 1.952 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1ccncn1 69639101 572127694 /nfs/dbraw/zinc/12/76/94/572127694.db2.gz LXAJQHGGCXGTTF-SCZZXKLOSA-N 0 0 180.251 1.946 10 0 ADAERN COCCCS[C@@H]1CCC(=O)C1 82819897 572127695 /nfs/dbraw/zinc/12/76/95/572127695.db2.gz ZJIHMXBDXBQOLT-SECBINFHSA-N 0 0 188.292 1.878 10 0 ADAERN CC(=O)CCC(=O)c1ccncn1 69638291 572127709 /nfs/dbraw/zinc/12/77/09/572127709.db2.gz HWGONCOXAZWLTB-UHFFFAOYSA-N 0 0 178.191 1.029 10 0 ADAERN C[C@@H](O)C[C@@H](C)OC[C@@H]1CCCO1 82815487 572127711 /nfs/dbraw/zinc/12/77/11/572127711.db2.gz RYBDYAHZVDADSV-BBBLOLIVSA-N 0 0 188.267 1.341 10 0 ADAERN CCOCCO[C@@H](C)C[C@@H](C)O 82815494 572128458 /nfs/dbraw/zinc/12/84/58/572128458.db2.gz DGCOQWUCRNOALY-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN CCC[C@@](C)(NC)C(=O)OCC 37458533 572127713 /nfs/dbraw/zinc/12/77/13/572127713.db2.gz WWJOSEWNQUPBRX-SECBINFHSA-N 0 0 173.256 1.328 10 0 ADAERN CCC[C@H](NC(C)C)C(=O)OC 37446029 572127717 /nfs/dbraw/zinc/12/77/17/572127717.db2.gz KOXDKFOMXYNPRV-QMMMGPOBSA-N 0 0 173.256 1.326 10 0 ADAERN CC(=O)CC(C)(C)Cc1cnn(C)c1 82816176 572127731 /nfs/dbraw/zinc/12/77/31/572127731.db2.gz QXAUFSDUAGDGJW-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN CCOCCO[C@@H](C)C[C@H](C)O 82815496 572127739 /nfs/dbraw/zinc/12/77/39/572127739.db2.gz DGCOQWUCRNOALY-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN CCC[C@@H](NCC)C(=O)OCC 37447434 572127772 /nfs/dbraw/zinc/12/77/72/572127772.db2.gz MITIKWGAERPIEE-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CCOC(=O)[C@](C)(CC)NC1CC1 37459501 572127556 /nfs/dbraw/zinc/12/75/56/572127556.db2.gz WKUBDFAADBOPJE-JTQLQIEISA-N 0 0 185.267 1.470 10 0 ADAERN CCC[C@@H](C)[C@H](O)COCCOC 300348154 572127563 /nfs/dbraw/zinc/12/75/63/572127563.db2.gz SJULKVICLWDAQC-NXEZZACHSA-N 0 0 190.283 1.447 10 0 ADAERN CC(C)CO[C@H](C)C[C@H](C)O 82815509 572127786 /nfs/dbraw/zinc/12/77/86/572127786.db2.gz FQUOWDMZZAUDCK-DTWKUNHWSA-N 0 0 160.257 1.818 10 0 ADAERN CCCSC[C@@H](O)COC(C)C 69661555 572127798 /nfs/dbraw/zinc/12/77/98/572127798.db2.gz AZKKGTVYJCDCQS-VIFPVBQESA-N 0 0 192.324 1.916 10 0 ADAERN CC(C)OCCO[C@@H](C)C[C@H](C)O 82815520 572127868 /nfs/dbraw/zinc/12/78/68/572127868.db2.gz GYAIAKRNXZHTFW-UWVGGRQHSA-N 0 0 190.283 1.587 10 0 ADAERN COC(=O)[C@@](C)(NC(C)C)C1CC1 37445782 572127879 /nfs/dbraw/zinc/12/78/79/572127879.db2.gz UUONOFBJTAXOGS-JTQLQIEISA-N 0 0 185.267 1.326 10 0 ADAERN CCOC(=O)[C@](C)(NC1CC1)C1CC1 37459519 572127886 /nfs/dbraw/zinc/12/78/86/572127886.db2.gz RUUYACRQJZLBAG-LLVKDONJSA-N 0 0 197.278 1.470 10 0 ADAERN CCN[C@H](CC(C)C)C(=O)OCC 37447410 572127890 /nfs/dbraw/zinc/12/78/90/572127890.db2.gz GFABURBZZFDIQE-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN COC(=N)CCCc1cc[nH]c1 71496042 572127896 /nfs/dbraw/zinc/12/78/96/572127896.db2.gz KNWOTGNZWLAXFU-UHFFFAOYSA-N 0 0 166.224 1.961 10 0 ADAERN CCOC(=O)[C@@H](CC(C)C)NC1CC1 37459535 572127911 /nfs/dbraw/zinc/12/79/11/572127911.db2.gz OQNBJLKGFSWUHH-SNVBAGLBSA-N 0 0 199.294 1.716 10 0 ADAERN CCOC(=O)C(C)(C)NC1CC1 37459513 572127919 /nfs/dbraw/zinc/12/79/19/572127919.db2.gz SZDYAJMPOBZARB-UHFFFAOYSA-N 0 0 171.240 1.080 10 0 ADAERN CC(C)OCCO[C@H](C)C[C@H](C)O 82815521 572128563 /nfs/dbraw/zinc/12/85/63/572128563.db2.gz GYAIAKRNXZHTFW-VHSXEESVSA-N 0 0 190.283 1.587 10 0 ADAERN CCCC[S@](=O)[C@H]1CCC(=O)C1 82821647 572127952 /nfs/dbraw/zinc/12/79/52/572127952.db2.gz KLSJPUXLEAKGFA-JOYOIKCWSA-N 0 0 188.292 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AODLOEGEYFNAOI-UHFFFAOYSA-N 0 0 187.283 1.718 10 0 ADAERN CCN[C@](C)(CC)C(=O)OCC 37447056 572128045 /nfs/dbraw/zinc/12/80/45/572128045.db2.gz BQIBWVDKTIJTIQ-SECBINFHSA-N 0 0 173.256 1.328 10 0 ADAERN C[C@H]1CN[C@H](c2ccco2)CO1 71496155 572128049 /nfs/dbraw/zinc/12/80/49/572128049.db2.gz NTRIFBSMIPBEBW-YUMQZZPRSA-N 0 0 167.208 1.329 10 0 ADAERN CN(C)Cc1nnsc1Cl 35165343 572128059 /nfs/dbraw/zinc/12/80/59/572128059.db2.gz XAVMAEDYBIYSIY-UHFFFAOYSA-N 0 0 177.660 1.253 10 0 ADAERN CC(=O)C[C@H](C)S[C@@H](C)[C@H](C)O 300339202 572128080 /nfs/dbraw/zinc/12/80/80/572128080.db2.gz LUCYTHKIWOXKOP-CIUDSAMLSA-N 0 0 190.308 1.857 10 0 ADAERN CCOC(=O)C1(NC(C)C)CCCC1 37446179 572128086 /nfs/dbraw/zinc/12/80/86/572128086.db2.gz HZGOALVROGLNAX-UHFFFAOYSA-N 0 0 199.294 1.860 10 0 ADAERN COCCS[C@H]1CCCC(=O)C1 82818360 572128095 /nfs/dbraw/zinc/12/80/95/572128095.db2.gz NBQJKNJNAWXIHH-VIFPVBQESA-N 0 0 188.292 1.878 10 0 ADAERN CCC[C@@H](C)N[S@@](=O)C(C)C 687786456 572128100 /nfs/dbraw/zinc/12/81/00/572128100.db2.gz OSBPLZAYKOMQQA-KCJUWKMLSA-N 0 0 177.313 1.837 10 0 ADAERN CC[C@H](C)C[S@](=O)[C@H](C)C(C)=O 300338392 572128137 /nfs/dbraw/zinc/12/81/37/572128137.db2.gz IJVSSBXYAJRFNV-VMAXQDLPSA-N 0 0 190.308 1.759 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@H]1COCCO1 300348037 572128120 /nfs/dbraw/zinc/12/81/20/572128120.db2.gz NFNLWBDIKOCGIN-IVZWLZJFSA-N 0 0 188.267 1.199 10 0 ADAERN CCSC[C@@H](O)COC(C)C 69661581 572128134 /nfs/dbraw/zinc/12/81/34/572128134.db2.gz ALHJRFMUZORPRT-QMMMGPOBSA-N 0 0 178.297 1.525 10 0 ADAERN CC(=O)[C@H](C)[S@](=O)[C@H](C)C(C)C 300339025 572128141 /nfs/dbraw/zinc/12/81/41/572128141.db2.gz LCUFKCWZUVVPKU-VDDIYKPWSA-N 0 0 190.308 1.757 10 0 ADAERN CC[C@H](C)C(=O)c1cc(OC)n(C)n1 300951427 572128169 /nfs/dbraw/zinc/12/81/69/572128169.db2.gz LTTCWAPAEUWORP-ZETCQYMHSA-N 0 0 196.250 1.658 10 0 ADAERN CCCCC[C@@H](NC)C(=O)OC 37447946 572128214 /nfs/dbraw/zinc/12/82/14/572128214.db2.gz DMBSXVUCJSGHLF-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CCN[C@](C)(C(=O)OCC)C1CC1 37447172 572128190 /nfs/dbraw/zinc/12/81/90/572128190.db2.gz CINNBYOPXQGSPL-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CS[C@@H](C)CN[S@@](=O)C(C)C 687786495 572128204 /nfs/dbraw/zinc/12/82/04/572128204.db2.gz PUBFVAVTNMXIOA-CPCISQLKSA-N 0 0 195.353 1.400 10 0 ADAERN CS[C@@H](C)CN[S@](=O)C(C)C 687786498 572128225 /nfs/dbraw/zinc/12/82/25/572128225.db2.gz PUBFVAVTNMXIOA-WRWORJQWSA-N 0 0 195.353 1.400 10 0 ADAERN CC[C@H](C)C[S@@](=O)[C@H](C)C(C)=O 300338391 572128577 /nfs/dbraw/zinc/12/85/77/572128577.db2.gz IJVSSBXYAJRFNV-LPBBDHJYSA-N 0 0 190.308 1.759 10 0 ADAERN OCCCN(c1ccccn1)C1CC1 404223714 572128268 /nfs/dbraw/zinc/12/82/68/572128268.db2.gz NQFLHKRRMNFPDF-UHFFFAOYSA-N 0 0 192.262 1.433 10 0 ADAERN CCOC(=O)[C@](C)(CC)NC(C)C 37446074 572128303 /nfs/dbraw/zinc/12/83/03/572128303.db2.gz XEMNCHOBNYXHOU-JTQLQIEISA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H](O)C1CC1 300347632 572128312 /nfs/dbraw/zinc/12/83/12/572128312.db2.gz LUKVNCKGUIZJFK-UJNFCWOMSA-N 0 0 172.268 1.554 10 0 ADAERN CC[C@@H](C)C(=O)c1cc(OC)n(C)n1 300951423 572128341 /nfs/dbraw/zinc/12/83/41/572128341.db2.gz LTTCWAPAEUWORP-SSDOTTSWSA-N 0 0 196.250 1.658 10 0 ADAERN CCn1ccnc1C(C)(C)C[C@@H](C)O 82817214 572128343 /nfs/dbraw/zinc/12/83/43/572128343.db2.gz YRMLAZYBSSWEFP-SECBINFHSA-N 0 0 196.294 1.952 10 0 ADAERN CCOC(=O)C1(NC2CC2)CCCC1 37459518 572128367 /nfs/dbraw/zinc/12/83/67/572128367.db2.gz QKYDXMOCVVXLES-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CCCC[C@@H](O)c1ccncn1 69639071 572128438 /nfs/dbraw/zinc/12/84/38/572128438.db2.gz QLUSZJVVQURFRT-SECBINFHSA-N 0 0 166.224 1.700 10 0 ADAERN CCOC(=O)[C@@H](NC)c1ccsc1 37458796 572128442 /nfs/dbraw/zinc/12/84/42/572128442.db2.gz QHWCEVHZAZKENK-QMMMGPOBSA-N 0 0 199.275 1.572 10 0 ADAERN CCOC(=O)[C@@](C)(NC(C)C)C1CC1 37446188 572128445 /nfs/dbraw/zinc/12/84/45/572128445.db2.gz LRWXANVHPAXDLJ-NSHDSACASA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@@H](C)[S@@](=O)[C@@H]1CCC(=O)C1 82821596 572128485 /nfs/dbraw/zinc/12/84/85/572128485.db2.gz CUHIWJXUGWIALI-GMEUVTARSA-N 0 0 188.292 1.655 10 0 ADAERN CCN[C@H](C(=O)OC)[C@H]1CC=CCC1 37447024 572128587 /nfs/dbraw/zinc/12/85/87/572128587.db2.gz RTRMEZDNIKKTGZ-UWVGGRQHSA-N 0 0 197.278 1.494 10 0 ADAERN COC(=N)CCc1ccncc1 71495794 572128518 /nfs/dbraw/zinc/12/85/18/572128518.db2.gz ZBNCFMQQOXJGIM-UHFFFAOYSA-N 0 0 164.208 1.638 10 0 ADAERN CCCC[S@](=O)[C@@H]1CCC(=O)C1 82821645 572128543 /nfs/dbraw/zinc/12/85/43/572128543.db2.gz KLSJPUXLEAKGFA-BXKDBHETSA-N 0 0 188.292 1.657 10 0 ADAERN CN[C@](C)(CCC(C)C)C(=O)OC 37447727 572128545 /nfs/dbraw/zinc/12/85/45/572128545.db2.gz IOAFNUQYKXFPKC-SNVBAGLBSA-N 0 0 187.283 1.574 10 0 ADAERN CCCCC[C@@H](NC)C(=O)OCC 37458742 572128603 /nfs/dbraw/zinc/12/86/03/572128603.db2.gz XZCBMVSDLQASDP-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN CCCCCC[C@H](NC)C(=O)OC 37458501 572128625 /nfs/dbraw/zinc/12/86/25/572128625.db2.gz LBSSCFWBDXKJEQ-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN C[C@@H](C[C@@H](C)O)OC[C@@H]1CCOC1 82815574 572128634 /nfs/dbraw/zinc/12/86/34/572128634.db2.gz ZQFRUAJFUYIHEG-KXUCPTDWSA-N 0 0 188.267 1.199 10 0 ADAERN CCC[C@H](C)[C@@H](NN)[C@H](C)OC 300347334 572128642 /nfs/dbraw/zinc/12/86/42/572128642.db2.gz LHUPIKLSLQGDSP-XHNCKOQMSA-N 0 0 174.288 1.289 10 0 ADAERN CC(=O)C[C@H](C)S[C@@H](C)[C@@H](C)O 300339204 572128660 /nfs/dbraw/zinc/12/86/60/572128660.db2.gz LUCYTHKIWOXKOP-YIZRAAEISA-N 0 0 190.308 1.857 10 0 ADAERN C[C@H](SCc1ncno1)[C@@H](C)O 300338395 572128665 /nfs/dbraw/zinc/12/86/65/572128665.db2.gz IKAXSICNUBBNPF-RITPCOANSA-N 0 0 188.252 1.072 10 0 ADAERN CC(C)CO[C@@H](C)C[C@H](C)O 82815508 572128708 /nfs/dbraw/zinc/12/87/08/572128708.db2.gz FQUOWDMZZAUDCK-IUCAKERBSA-N 0 0 160.257 1.818 10 0 ADAERN CCN[C@@](C)(C(=O)OCC)C1CC1 37447173 572128716 /nfs/dbraw/zinc/12/87/16/572128716.db2.gz CINNBYOPXQGSPL-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN Cc1ccsc1[C@H](C)[NH2+]CC(=O)[O-] 69636202 572128727 /nfs/dbraw/zinc/12/87/27/572128727.db2.gz KCINKZNCLSEOMB-ZETCQYMHSA-N 0 0 199.275 1.792 10 0 ADAERN Cn1ccc(/C=C/CCON)c1 71495969 572128729 /nfs/dbraw/zinc/12/87/29/572128729.db2.gz JFRFLCGICXGGJD-DUXPYHPUSA-N 0 0 166.224 1.319 10 0 ADAERN CC[C@@](C)(NC(C)C)C(=O)OC 37445667 572128732 /nfs/dbraw/zinc/12/87/32/572128732.db2.gz NDUYFRPJHBVNKE-SECBINFHSA-N 0 0 173.256 1.326 10 0 ADAERN CCCCC[C@H](NC)C(=O)OC 37447945 572128737 /nfs/dbraw/zinc/12/87/37/572128737.db2.gz DMBSXVUCJSGHLF-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN CC(C)CO[C@H](C)C[C@@H](C)O 82815507 572128747 /nfs/dbraw/zinc/12/87/47/572128747.db2.gz FQUOWDMZZAUDCK-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN CC(=O)C[C@H](C)S[C@H](C)[C@H](C)O 300339203 572128764 /nfs/dbraw/zinc/12/87/64/572128764.db2.gz LUCYTHKIWOXKOP-XHNCKOQMSA-N 0 0 190.308 1.857 10 0 ADAERN CCC[C@H](C)[C@H](NN)[C@H]1C[C@@H]1C 300348769 572128767 /nfs/dbraw/zinc/12/87/67/572128767.db2.gz OYGRLZQEGVEGNU-XKNYDFJKSA-N 0 0 170.300 1.911 10 0 ADAERN CCOCCO[C@H](C)C[C@@H](C)O 82815495 572128768 /nfs/dbraw/zinc/12/87/68/572128768.db2.gz DGCOQWUCRNOALY-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN CCCC[S@@](=O)[C@@H]1CCC(=O)C1 82821644 572128774 /nfs/dbraw/zinc/12/87/74/572128774.db2.gz KLSJPUXLEAKGFA-SKDRFNHKSA-N 0 0 188.292 1.657 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H]1COCCO1 300348036 572128785 /nfs/dbraw/zinc/12/87/85/572128785.db2.gz NFNLWBDIKOCGIN-AEJSXWLSSA-N 0 0 188.267 1.199 10 0 ADAERN CCC[C@](C)(NC1CC1)C(=O)OCC 37459499 572128867 /nfs/dbraw/zinc/12/88/67/572128867.db2.gz QDIKTTAINAKUKR-NSHDSACASA-N 0 0 199.294 1.860 10 0 ADAERN COCCCS[C@H]1CCC(=O)C1 82819898 572128835 /nfs/dbraw/zinc/12/88/35/572128835.db2.gz ZJIHMXBDXBQOLT-VIFPVBQESA-N 0 0 188.292 1.878 10 0 ADAERN CCn1ccc(N[C@H](C)CCOC)n1 300951772 572128840 /nfs/dbraw/zinc/12/88/40/572128840.db2.gz ZRTDZDNQYWTYLA-SECBINFHSA-N 0 0 197.282 1.740 10 0 ADAERN CCCOCCO[C@@H](C)C[C@@H](C)O 82815611 572128854 /nfs/dbraw/zinc/12/88/54/572128854.db2.gz LUMXZEUGZJGLDR-ZJUUUORDSA-N 0 0 190.283 1.589 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H](C)OC 300348345 572128859 /nfs/dbraw/zinc/12/88/59/572128859.db2.gz NXNVXYRXYDJZPZ-CIUDSAMLSA-N 0 0 160.257 1.818 10 0 ADAERN CN[C@@](C)(CCC(C)C)C(=O)OC 37447726 572129093 /nfs/dbraw/zinc/12/90/93/572129093.db2.gz IOAFNUQYKXFPKC-JTQLQIEISA-N 0 0 187.283 1.574 10 0 ADAERN CCN[C@@](C)(CC(C)C)C(=O)OC 37446729 572129103 /nfs/dbraw/zinc/12/91/03/572129103.db2.gz DCWNAWPYZJBCRR-JTQLQIEISA-N 0 0 187.283 1.574 10 0 ADAERN CCOC(=O)[C@](C)(CC(C)C)NC 37458638 572129107 /nfs/dbraw/zinc/12/91/07/572129107.db2.gz JCRHYDDKQKKYLP-JTQLQIEISA-N 0 0 187.283 1.574 10 0 ADAERN CN[C@](C)(CC(C)C)C(=O)OC 37447839 572129112 /nfs/dbraw/zinc/12/91/12/572129112.db2.gz LEHRWKRSMHICHJ-SECBINFHSA-N 0 0 173.256 1.184 10 0 ADAERN CCC[C@@H](C)[C@H](CCC[NH3+])C(=O)[O-] 300349081 572129121 /nfs/dbraw/zinc/12/91/21/572129121.db2.gz PUBRKKTTZKZMEW-BDAKNGLRSA-N 0 0 187.283 1.862 10 0 ADAERN C[C@H](SCOCC1CC1)[C@@H](C)O 300339760 572129125 /nfs/dbraw/zinc/12/91/25/572129125.db2.gz NNZYVVLKLUQERU-SFYZADRCSA-N 0 0 190.308 1.873 10 0 ADAERN CCC[C@](C)(NCC)C(=O)OCC 37447051 572129129 /nfs/dbraw/zinc/12/91/29/572129129.db2.gz NPGUOUBNAVLBOY-JTQLQIEISA-N 0 0 187.283 1.718 10 0 ADAERN CCOC(=O)C(C)(C)NC(C)C 37446112 572129158 /nfs/dbraw/zinc/12/91/58/572129158.db2.gz BAQIBBSMRBMSPK-UHFFFAOYSA-N 0 0 173.256 1.326 10 0 ADAERN CCN[C@H](C(=O)OC)c1ccsc1 37446888 572129172 /nfs/dbraw/zinc/12/91/72/572129172.db2.gz RJNDDRNQUGMRNO-QMMMGPOBSA-N 0 0 199.275 1.572 10 0 ADAERN CCOC(=O)[C@@](C)(NC1CC1)C1CC1 37459520 572129227 /nfs/dbraw/zinc/12/92/27/572129227.db2.gz RUUYACRQJZLBAG-NSHDSACASA-N 0 0 197.278 1.470 10 0 ADAERN CCN[C@@](C)(CC)C(=O)OCC 37447055 572129234 /nfs/dbraw/zinc/12/92/34/572129234.db2.gz BQIBWVDKTIJTIQ-VIFPVBQESA-N 0 0 173.256 1.328 10 0 ADAERN CN[C@@](C)(CC(C)C)C(=O)OC 37447838 572129266 /nfs/dbraw/zinc/12/92/66/572129266.db2.gz LEHRWKRSMHICHJ-VIFPVBQESA-N 0 0 173.256 1.184 10 0 ADAERN C[C@H]1COC[C@H](c2ccncc2)N1 71497498 572129292 /nfs/dbraw/zinc/12/92/92/572129292.db2.gz QWBBGRVJEQQLTM-WCBMZHEXSA-N 0 0 178.235 1.131 10 0 ADAERN CC[C@H](C)C[C@H](O)c1ccncn1 69639102 572129334 /nfs/dbraw/zinc/12/93/34/572129334.db2.gz LXAJQHGGCXGTTF-WPRPVWTQSA-N 0 0 180.251 1.946 10 0 ADAERN CS[C@H](C)CN[S@](=O)C(C)C 687786497 572129364 /nfs/dbraw/zinc/12/93/64/572129364.db2.gz PUBFVAVTNMXIOA-RDDDGLTNSA-N 0 0 195.353 1.400 10 0 ADAERN NOCCCCc1cccs1 71496642 572129394 /nfs/dbraw/zinc/12/93/94/572129394.db2.gz XHCVIPUCTPLJFH-UHFFFAOYSA-N 0 0 171.265 1.961 10 0 ADAERN CC(C)CC[C@@H](O)c1ccncn1 69639050 572129423 /nfs/dbraw/zinc/12/94/23/572129423.db2.gz PECFWJOQQRIJGE-SNVBAGLBSA-N 0 0 180.251 1.946 10 0 ADAERN C[C@@H](O)C[C@@H](C)N(C)CC(F)(F)F 82822013 572129641 /nfs/dbraw/zinc/12/96/41/572129641.db2.gz DIVFYVNEUZSFJG-RNFRBKRXSA-N 0 0 199.216 1.640 10 0 ADAERN Cc1cccc(CCC(=O)CO)c1 71497421 572129444 /nfs/dbraw/zinc/12/94/44/572129444.db2.gz OBXQRGHKJBDKPB-UHFFFAOYSA-N 0 0 178.231 1.489 10 0 ADAERN CC[C@H](C)C[C@@H](O)c1ccncn1 69639105 572129446 /nfs/dbraw/zinc/12/94/46/572129446.db2.gz LXAJQHGGCXGTTF-WCBMZHEXSA-N 0 0 180.251 1.946 10 0 ADAERN CC(C)[S@@](=O)N[C@H]1CCSC1 687786514 572129493 /nfs/dbraw/zinc/12/94/93/572129493.db2.gz QJKXRHGHXKJAPC-WRWORJQWSA-N 0 0 193.337 1.154 10 0 ADAERN CCC[C@H](C)N[S@@](=O)C(C)C 687786457 572129548 /nfs/dbraw/zinc/12/95/48/572129548.db2.gz OSBPLZAYKOMQQA-KWQFWETISA-N 0 0 177.313 1.837 10 0 ADAERN CC(C)[S@@](=O)N[C@@H]1CCSC1 687786513 572129552 /nfs/dbraw/zinc/12/95/52/572129552.db2.gz QJKXRHGHXKJAPC-RDDDGLTNSA-N 0 0 193.337 1.154 10 0 ADAERN COCc1cccc(OCC(C)=O)c1 69637982 572129603 /nfs/dbraw/zinc/12/96/03/572129603.db2.gz UDNDMUIDAFVVGY-UHFFFAOYSA-N 0 0 194.230 1.801 10 0 ADAERN CCCC[C@H](O)c1ccncn1 69639070 572129612 /nfs/dbraw/zinc/12/96/12/572129612.db2.gz QLUSZJVVQURFRT-VIFPVBQESA-N 0 0 166.224 1.700 10 0 ADAERN CNC1(C(=O)OC)C[C@@H](C)C[C@@H](C)C1 82831215 572129617 /nfs/dbraw/zinc/12/96/17/572129617.db2.gz ZXHUVGOLYKEZAL-SLHIUPAKSA-N 0 0 199.294 1.574 10 0 ADAERN CS[C@H](C)CN[S@@](=O)C(C)C 687786496 572129642 /nfs/dbraw/zinc/12/96/42/572129642.db2.gz PUBFVAVTNMXIOA-HQJQHLMTSA-N 0 0 195.353 1.400 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1ccncn1 69639104 572130244 /nfs/dbraw/zinc/13/02/44/572130244.db2.gz LXAJQHGGCXGTTF-PSASIEDQSA-N 0 0 180.251 1.946 10 0 ADAERN Cc1ccc(CCC(=O)CO)cc1 71497423 572130245 /nfs/dbraw/zinc/13/02/45/572130245.db2.gz OTEIABZGYLUQLL-UHFFFAOYSA-N 0 0 178.231 1.489 10 0 ADAERN C[C@@H]1CC(NC(N)=O)C[C@H](C)C1 82829301 572129764 /nfs/dbraw/zinc/12/97/64/572129764.db2.gz DCEGEFQCTUCPAT-DHBOJHSNSA-N 0 0 170.256 1.479 10 0 ADAERN CCC[C@@](C)(NC1CC1)C(=O)OC 37459381 572129781 /nfs/dbraw/zinc/12/97/81/572129781.db2.gz JPGRZBPTDIAWGX-SNVBAGLBSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@@H]1CN[C@@H](c2cccnc2)CO1 71497493 572129804 /nfs/dbraw/zinc/12/98/04/572129804.db2.gz NAORDTKUMDLRLP-PSASIEDQSA-N 0 0 178.235 1.131 10 0 ADAERN C[NH2+]C1(C(=O)[O-])C[C@@H](C)C[C@@H](C)C1 82831175 572129814 /nfs/dbraw/zinc/12/98/14/572129814.db2.gz UKCWJUHKNFHBMY-JWHQNHQBSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)OC(=O)CN[C@@H](C)CC1CC1 69665099 572129830 /nfs/dbraw/zinc/12/98/30/572129830.db2.gz FOHLKRYQPUYNMW-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN c1nocc1CNOC1CCCC1 687710455 572129882 /nfs/dbraw/zinc/12/98/82/572129882.db2.gz ASPACHCKJOXOKZ-UHFFFAOYSA-N 0 0 182.223 1.638 10 0 ADAERN COCCCC(=O)c1ccncn1 69638959 572129886 /nfs/dbraw/zinc/12/98/86/572129886.db2.gz WAIHNLMLNZDOCO-UHFFFAOYSA-N 0 0 180.207 1.086 10 0 ADAERN CCOC(=O)CN[C@@H](C)CC1CC1 69664901 572129898 /nfs/dbraw/zinc/12/98/98/572129898.db2.gz RNIDXXBGECZKPI-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CCC[C@@H](C)N[S@](=O)C(C)C 687786458 572129910 /nfs/dbraw/zinc/12/99/10/572129910.db2.gz OSBPLZAYKOMQQA-LDYMZIIASA-N 0 0 177.313 1.837 10 0 ADAERN C[C@H]1C[C@@H](C)CC2(CC(=O)NC2=O)C1 82830519 572129913 /nfs/dbraw/zinc/12/99/13/572129913.db2.gz BKIFLOAJXPPFSM-OQJHAAMPSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1CC([NH2+]CCC(=O)[O-])C[C@H](C)C1 82829708 572129918 /nfs/dbraw/zinc/12/99/18/572129918.db2.gz MBIDJMOXQNECAR-ULKQDVFKSA-N 0 0 199.294 1.875 10 0 ADAERN CCn1ccc(N[C@@H](C)CCOC)n1 300951773 572129933 /nfs/dbraw/zinc/12/99/33/572129933.db2.gz ZRTDZDNQYWTYLA-VIFPVBQESA-N 0 0 197.282 1.740 10 0 ADAERN CCc1ccc(C(=O)CCO)cc1 71497431 572129938 /nfs/dbraw/zinc/12/99/38/572129938.db2.gz MGZNXAPFINSFFM-UHFFFAOYSA-N 0 0 178.231 1.814 10 0 ADAERN C[C@H]1C[C@@H](C)CC([NH3+])(C(=O)[O-])C1 82831172 572129973 /nfs/dbraw/zinc/12/99/73/572129973.db2.gz DIEAEQSZOILNRE-AVSFMBPQSA-N 0 0 171.240 1.225 10 0 ADAERN COC[C@@H](C)C1(O)CCC(=O)CC1 687786952 572131427 /nfs/dbraw/zinc/13/14/27/572131427.db2.gz XZNSVRJZBJARMZ-MRVPVSSYSA-N 0 0 186.251 1.143 10 0 ADAERN CC(C)OC(=O)CN[C@H](C)CC1CC1 69665102 572130013 /nfs/dbraw/zinc/13/00/13/572130013.db2.gz FOHLKRYQPUYNMW-SECBINFHSA-N 0 0 199.294 1.716 10 0 ADAERN C[C@@H]1COC[C@@H](c2ccncc2)N1 71497500 572130019 /nfs/dbraw/zinc/13/00/19/572130019.db2.gz QWBBGRVJEQQLTM-SCZZXKLOSA-N 0 0 178.235 1.131 10 0 ADAERN COC(=O)CNC1C[C@@H](C)C[C@H](C)C1 82829364 572131432 /nfs/dbraw/zinc/13/14/32/572131432.db2.gz QSVXRGGHYGLIFJ-IUCAKERBSA-N 0 0 199.294 1.574 10 0 ADAERN CCc1ccc([C@H](O)CCO)cc1 71498178 572130065 /nfs/dbraw/zinc/13/00/65/572130065.db2.gz GGDMPEQCNRQFGH-LLVKDONJSA-N 0 0 180.247 1.665 10 0 ADAERN C[C@H]1COC[C@@H](c2ccncc2)N1 71497502 572130078 /nfs/dbraw/zinc/13/00/78/572130078.db2.gz QWBBGRVJEQQLTM-WPRPVWTQSA-N 0 0 178.235 1.131 10 0 ADAERN C[C@@H](C[C@@H](C)O)N(C)CC(F)(F)F 82822012 572130108 /nfs/dbraw/zinc/13/01/08/572130108.db2.gz DIVFYVNEUZSFJG-NKWVEPMBSA-N 0 0 199.216 1.640 10 0 ADAERN CCC(=O)[C@H](C)S[C@@H](C)[C@H](C)O 300341580 572130112 /nfs/dbraw/zinc/13/01/12/572130112.db2.gz WIEWUMSDSUQPSV-FXQIFTODSA-N 0 0 190.308 1.857 10 0 ADAERN C[C@@H]1CN[C@H](c2ccccn2)CO1 71497473 572130145 /nfs/dbraw/zinc/13/01/45/572130145.db2.gz LQWACOWKPDIVDH-SCZZXKLOSA-N 0 0 178.235 1.131 10 0 ADAERN CCCSC[C@H](O)COC(C)C 69661551 572130194 /nfs/dbraw/zinc/13/01/94/572130194.db2.gz AZKKGTVYJCDCQS-SECBINFHSA-N 0 0 192.324 1.916 10 0 ADAERN C[C@@H]1CC(n2cnc(N)n2)C[C@H](C)C1 82832709 572130269 /nfs/dbraw/zinc/13/02/69/572130269.db2.gz CMBMQWXPFNCEOY-JVHMLUBASA-N 0 0 194.282 1.858 10 0 ADAERN CC(C)C[C@H](O)C[C@@H]1CCCO1 37465096 572130303 /nfs/dbraw/zinc/13/03/03/572130303.db2.gz DZOKYCNSDITJAC-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H]1COC[C@@H](c2ccccn2)N1 71497471 572130361 /nfs/dbraw/zinc/13/03/61/572130361.db2.gz HPETVKFAKYBXQK-WPRPVWTQSA-N 0 0 178.235 1.131 10 0 ADAERN C[C@H]1CN[C@H](c2ccccn2)CO1 71497474 572130416 /nfs/dbraw/zinc/13/04/16/572130416.db2.gz LQWACOWKPDIVDH-WPRPVWTQSA-N 0 0 178.235 1.131 10 0 ADAERN CCC[C@@H](O)Cc1ccccn1 37465381 572130439 /nfs/dbraw/zinc/13/04/39/572130439.db2.gz HKRNGUYLQHHUMN-SNVBAGLBSA-N 0 0 165.236 1.785 10 0 ADAERN Cc1ccccc1CCC(=O)CO 71497419 572130453 /nfs/dbraw/zinc/13/04/53/572130453.db2.gz RFKONZULVHLFJG-UHFFFAOYSA-N 0 0 178.231 1.489 10 0 ADAERN CCn1cc([C@H](NN)[C@@H]2C[C@@H]2C)cn1 229265986 572130486 /nfs/dbraw/zinc/13/04/86/572130486.db2.gz WVBOSYRRJDBFOX-SFGNSQDASA-N 0 0 194.282 1.063 10 0 ADAERN CCc1ccc(CCN(C)N)cc1 71497615 572130487 /nfs/dbraw/zinc/13/04/87/572130487.db2.gz JHUUQSZKADIQOH-UHFFFAOYSA-N 0 0 178.279 1.597 10 0 ADAERN C[C@H]1COC[C@H](c2ccccn2)N1 71497466 572130499 /nfs/dbraw/zinc/13/04/99/572130499.db2.gz HPETVKFAKYBXQK-WCBMZHEXSA-N 0 0 178.235 1.131 10 0 ADAERN C[C@@H]1COC[C@@H](c2ccccn2)N1 71497468 572130536 /nfs/dbraw/zinc/13/05/36/572130536.db2.gz HPETVKFAKYBXQK-SCZZXKLOSA-N 0 0 178.235 1.131 10 0 ADAERN C[C@H]1C[C@@H](C)CC([NH3+])(CC(=O)[O-])C1 82832385 572130560 /nfs/dbraw/zinc/13/05/60/572130560.db2.gz UNQXSAANEQIZBP-JWHQNHQBSA-N 0 0 185.267 1.615 10 0 ADAERN CCc1ccc(CC(=O)CO)cc1 71497426 572130601 /nfs/dbraw/zinc/13/06/01/572130601.db2.gz USNLADMTRPOKIP-UHFFFAOYSA-N 0 0 178.231 1.353 10 0 ADAERN COC[C@@H](C)[C@@H](O)c1occc1C 687786951 572130621 /nfs/dbraw/zinc/13/06/21/572130621.db2.gz XHVVUBVTPZVBKV-RKDXNWHRSA-N 0 0 184.235 1.904 10 0 ADAERN CCCN[C@](C)(C(=O)OCC)C1CC1 37459305 572130626 /nfs/dbraw/zinc/13/06/26/572130626.db2.gz TVESLXPIZPVIJF-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)[C@@H](C)Cc1c(C)noc1C 82829305 572130631 /nfs/dbraw/zinc/13/06/31/572130631.db2.gz TZCUCUVADAKTDP-LURJTMIESA-N 0 0 197.234 1.643 10 0 ADAERN CC[C@H](CC1CC1)Nc1nnnn1C 69667506 572130660 /nfs/dbraw/zinc/13/06/60/572130660.db2.gz RGBAXKDEWOMVDE-MRVPVSSYSA-N 0 0 195.270 1.201 10 0 ADAERN C[C@H]1CN[C@@H](c2ccccn2)CO1 71497478 572130724 /nfs/dbraw/zinc/13/07/24/572130724.db2.gz LQWACOWKPDIVDH-WCBMZHEXSA-N 0 0 178.235 1.131 10 0 ADAERN CC(=O)CCCS[C@@H](C)[C@@H](C)O 300341874 572130783 /nfs/dbraw/zinc/13/07/83/572130783.db2.gz YIUMRCWDJKJPET-BDAKNGLRSA-N 0 0 190.308 1.858 10 0 ADAERN C[C@@H]1CC([NH2+]CC(=O)[O-])C[C@H](C)C1 82829664 572130800 /nfs/dbraw/zinc/13/08/00/572130800.db2.gz VZMROJKUXPBMSU-JVHMLUBASA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@H](CC1CC1)N1CCC(=O)C1=O 69666424 572130819 /nfs/dbraw/zinc/13/08/19/572130819.db2.gz JNJTXKRYFWQHMU-SECBINFHSA-N 0 0 195.262 1.367 10 0 ADAERN Cc1cc([C@H](N)c2cc[nH]n2)oc1C 687710549 572130831 /nfs/dbraw/zinc/13/08/31/572130831.db2.gz QUGBFEKZJDNCJY-SNVBAGLBSA-N 0 0 191.234 1.668 10 0 ADAERN CC(C)C[C@H](O)C[C@H]1CCCO1 37465100 572130882 /nfs/dbraw/zinc/13/08/82/572130882.db2.gz DZOKYCNSDITJAC-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](CC1CC1)NC(=O)CC(C)=O 69669669 572130885 /nfs/dbraw/zinc/13/08/85/572130885.db2.gz JHDUZQPYRNKBPM-SNVBAGLBSA-N 0 0 197.278 1.660 10 0 ADAERN COC(=O)CNC1C[C@H](C)C[C@@H](C)C1 82829365 572130887 /nfs/dbraw/zinc/13/08/87/572130887.db2.gz QSVXRGGHYGLIFJ-RKDXNWHRSA-N 0 0 199.294 1.574 10 0 ADAERN CCOc1ccc(CN(C)N)cc1 71498297 572131477 /nfs/dbraw/zinc/13/14/77/572131477.db2.gz OLZWETOEWXNNEU-UHFFFAOYSA-N 0 0 180.251 1.391 10 0 ADAERN CCCN[C@@](C)(CC)C(=O)OCC 37459287 572130909 /nfs/dbraw/zinc/13/09/09/572130909.db2.gz YONZWHFEJUHEDY-JTQLQIEISA-N 0 0 187.283 1.718 10 0 ADAERN CC(C)C[C@@H](O)C[C@@H]1CCCO1 37465098 572130981 /nfs/dbraw/zinc/13/09/81/572130981.db2.gz DZOKYCNSDITJAC-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@@H](CC1CC1)NC(=O)CC(C)=O 69669665 572130926 /nfs/dbraw/zinc/13/09/26/572130926.db2.gz JHDUZQPYRNKBPM-JTQLQIEISA-N 0 0 197.278 1.660 10 0 ADAERN C/C=C/C(=O)NC[C@H](C)C(C)C 82821909 572130962 /nfs/dbraw/zinc/13/09/62/572130962.db2.gz HBMLFHVVDCPYLR-CYNONHLPSA-N 0 0 169.268 1.971 10 0 ADAERN CC[C@@H](CC1CC1)[NH2+]C[C@H](C)C(=O)[O-] 69672762 572130971 /nfs/dbraw/zinc/13/09/71/572130971.db2.gz KKGVIKVCPSVCOZ-WPRPVWTQSA-N 0 0 199.294 1.875 10 0 ADAERN COC(=N)COc1cccc(C)c1 71497754 572131018 /nfs/dbraw/zinc/13/10/18/572131018.db2.gz MEBCFFPPRQFSMB-UHFFFAOYSA-N 0 0 179.219 1.997 10 0 ADAERN COC[C@H](C)[C@@H](O)c1occc1C 687786949 572131025 /nfs/dbraw/zinc/13/10/25/572131025.db2.gz XHVVUBVTPZVBKV-DTWKUNHWSA-N 0 0 184.235 1.904 10 0 ADAERN CCOC(=O)[C@@H](NC)[C@@H]1CC=CCC1 37458936 572131031 /nfs/dbraw/zinc/13/10/31/572131031.db2.gz VPKNAIYLKZGDSZ-ZJUUUORDSA-N 0 0 197.278 1.494 10 0 ADAERN C[C@@H]1CC([N@H+](C)CC(=O)[O-])C[C@H](C)C1 82832920 572131046 /nfs/dbraw/zinc/13/10/46/572131046.db2.gz HYXSJJQNLIHXBA-ULKQDVFKSA-N 0 0 199.294 1.828 10 0 ADAERN CCC[C@](C)(NC1CC1)C(=O)OC 37459380 572131075 /nfs/dbraw/zinc/13/10/75/572131075.db2.gz JPGRZBPTDIAWGX-JTQLQIEISA-N 0 0 185.267 1.470 10 0 ADAERN COC[C@@H](C)[C@H](O)c1occc1C 687786948 572131084 /nfs/dbraw/zinc/13/10/84/572131084.db2.gz XHVVUBVTPZVBKV-BDAKNGLRSA-N 0 0 184.235 1.904 10 0 ADAERN CC[NH2+]C1(C(=O)[O-])C[C@@H](C)C[C@@H](C)C1 82831178 572131097 /nfs/dbraw/zinc/13/10/97/572131097.db2.gz ITDBTTULJPJPTR-SLHIUPAKSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccccn2)CO1 71497476 572131180 /nfs/dbraw/zinc/13/11/80/572131180.db2.gz LQWACOWKPDIVDH-PSASIEDQSA-N 0 0 178.235 1.131 10 0 ADAERN CCC(=O)[C@H](C)S[C@H](C)[C@H](C)O 300341581 572131183 /nfs/dbraw/zinc/13/11/83/572131183.db2.gz WIEWUMSDSUQPSV-RNJXMRFFSA-N 0 0 190.308 1.857 10 0 ADAERN COCC(=O)NC1C[C@@H](C)C[C@@H](C)C1 82821910 572131196 /nfs/dbraw/zinc/13/11/96/572131196.db2.gz MBMLFIAHVOMIDK-ULKQDVFKSA-N 0 0 199.294 1.574 10 0 ADAERN CC[C@@H](CC1CC1)[NH2+][C@@H](C)C(=O)[O-] 69672438 572131262 /nfs/dbraw/zinc/13/12/62/572131262.db2.gz MUUBALKBJSUAQU-CBAPKCEASA-N 0 0 185.267 1.628 10 0 ADAERN C[C@H]1C[C@@H](C)CC(C(=O)[O-])([NH+](C)C)C1 82831796 572131254 /nfs/dbraw/zinc/13/12/54/572131254.db2.gz YCCDHKZBRZCBHH-SLHIUPAKSA-N 0 0 199.294 1.828 10 0 ADAERN COC(=N)COc1ccc(C)cc1 71497757 572131415 /nfs/dbraw/zinc/13/14/15/572131415.db2.gz OAXYFFGMSDOCSN-UHFFFAOYSA-N 0 0 179.219 1.997 10 0 ADAERN C[C@@H]1COC[C@H](c2cccnc2)N1 71497480 572131281 /nfs/dbraw/zinc/13/12/81/572131281.db2.gz WETOFPVWCCIKMP-PSASIEDQSA-N 0 0 178.235 1.131 10 0 ADAERN CCOC(=O)[C@H](NC)[C@H]1CC=CCC1 37458933 572131293 /nfs/dbraw/zinc/13/12/93/572131293.db2.gz VPKNAIYLKZGDSZ-VHSXEESVSA-N 0 0 197.278 1.494 10 0 ADAERN C[C@H]1CN[C@H](c2cccnc2)CO1 71497491 572131313 /nfs/dbraw/zinc/13/13/13/572131313.db2.gz NAORDTKUMDLRLP-WPRPVWTQSA-N 0 0 178.235 1.131 10 0 ADAERN CCCN[C@@](C)(C(=O)OCC)C1CC1 37459306 572131362 /nfs/dbraw/zinc/13/13/62/572131362.db2.gz TVESLXPIZPVIJF-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)[C@H](C)Cc1c(C)noc1C 82829304 572131373 /nfs/dbraw/zinc/13/13/73/572131373.db2.gz TZCUCUVADAKTDP-ZCFIWIBFSA-N 0 0 197.234 1.643 10 0 ADAERN C[C@@H]1COC[C@H](c2ccccn2)N1 71497464 572131420 /nfs/dbraw/zinc/13/14/20/572131420.db2.gz HPETVKFAKYBXQK-PSASIEDQSA-N 0 0 178.235 1.131 10 0 ADAERN C[C@H]1COC[C@@H](c2cccnc2)N1 71497486 572131505 /nfs/dbraw/zinc/13/15/05/572131505.db2.gz WETOFPVWCCIKMP-WPRPVWTQSA-N 0 0 178.235 1.131 10 0 ADAERN CC[C@](C)(O)CS[C@@H](C)[C@H](C)O 300341488 572131510 /nfs/dbraw/zinc/13/15/10/572131510.db2.gz VPXBICHTHGDYLI-CIUDSAMLSA-N 0 0 192.324 1.650 10 0 ADAERN CC[C@H](CC1CC1)N1CCC(=O)C1 69666440 572131541 /nfs/dbraw/zinc/13/15/41/572131541.db2.gz JPVSSVUFQQAWMB-SNVBAGLBSA-N 0 0 181.279 1.840 10 0 ADAERN COC(=N)COc1ccccc1C 71497751 572131544 /nfs/dbraw/zinc/13/15/44/572131544.db2.gz UVMRUNMPJKVLLZ-UHFFFAOYSA-N 0 0 179.219 1.997 10 0 ADAERN C[C@H]1C[C@@H](C)CC2(CC(=O)N2)C1 82832382 572131577 /nfs/dbraw/zinc/13/15/77/572131577.db2.gz MJYNXWSOGKFWNR-JWHQNHQBSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H](CC1CC1)NC(=O)n1ccnc1 69669468 572131554 /nfs/dbraw/zinc/13/15/54/572131554.db2.gz LOMRNCXGIZUOTJ-MRVPVSSYSA-N 0 0 193.250 1.629 10 0 ADAERN CCCCC(=O)c1cnnn1CC 300951967 572131558 /nfs/dbraw/zinc/13/15/58/572131558.db2.gz XJNXACLMOLEAJW-UHFFFAOYSA-N 0 0 181.239 1.671 10 0 ADAERN C[C@H](O)C[C@@H](C)N(C)CC(F)(F)F 82822015 572131563 /nfs/dbraw/zinc/13/15/63/572131563.db2.gz DIVFYVNEUZSFJG-RQJHMYQMSA-N 0 0 199.216 1.640 10 0 ADAERN CCOC(=O)[C@H](NC)[C@@H]1CC=CCC1 37458935 572131587 /nfs/dbraw/zinc/13/15/87/572131587.db2.gz VPKNAIYLKZGDSZ-NXEZZACHSA-N 0 0 197.278 1.494 10 0 ADAERN C[C@H](O)C[C@H](C)N(C)CC(F)(F)F 82822014 572131602 /nfs/dbraw/zinc/13/16/02/572131602.db2.gz DIVFYVNEUZSFJG-BQBZGAKWSA-N 0 0 199.216 1.640 10 0 ADAERN C[C@@H]1COC[C@H](c2ccncc2)N1 71497496 572131610 /nfs/dbraw/zinc/13/16/10/572131610.db2.gz QWBBGRVJEQQLTM-PSASIEDQSA-N 0 0 178.235 1.131 10 0 ADAERN COC(=O)C1(O)C[C@@H](C)C[C@@H](C)C1 82831935 572131655 /nfs/dbraw/zinc/13/16/55/572131655.db2.gz SBIURSDZAPCMTK-JWHQNHQBSA-N 0 0 186.251 1.347 10 0 ADAERN C/C=C/C(=O)NC[C@@H](C)C(C)C 82821908 572131734 /nfs/dbraw/zinc/13/17/34/572131734.db2.gz HBMLFHVVDCPYLR-VUHVRTRXSA-N 0 0 169.268 1.971 10 0 ADAERN COC[C@H](C)C1(O)CCC(=O)CC1 687786953 572131775 /nfs/dbraw/zinc/13/17/75/572131775.db2.gz XZNSVRJZBJARMZ-QMMMGPOBSA-N 0 0 186.251 1.143 10 0 ADAERN C[C@@H](CC1CC1)[NH2+][C@H](C)CC(=O)[O-] 69665869 572131778 /nfs/dbraw/zinc/13/17/78/572131778.db2.gz AOEQGADQEJYYBQ-JGVFFNPUSA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@H](O)Cc1ccccn1 37465379 572131779 /nfs/dbraw/zinc/13/17/79/572131779.db2.gz HKRNGUYLQHHUMN-JTQLQIEISA-N 0 0 165.236 1.785 10 0 ADAERN CC[C@@H](CC1CC1)N1CCC(=O)C1 69666435 572131838 /nfs/dbraw/zinc/13/18/38/572131838.db2.gz JPVSSVUFQQAWMB-JTQLQIEISA-N 0 0 181.279 1.840 10 0 ADAERN CC[C@H](CC1CC1)N1C(=O)C=CC1=O 69666708 572131882 /nfs/dbraw/zinc/13/18/82/572131882.db2.gz NZBYLTIQJFVRQK-SECBINFHSA-N 0 0 193.246 1.490 10 0 ADAERN CC[C@H](CC1CC1)[NH2+]C[C@H](C)C(=O)[O-] 69672764 572131901 /nfs/dbraw/zinc/13/19/01/572131901.db2.gz KKGVIKVCPSVCOZ-WCBMZHEXSA-N 0 0 199.294 1.875 10 0 ADAERN CCCN[C@](C)(CC)C(=O)OCC 37459288 572131906 /nfs/dbraw/zinc/13/19/06/572131906.db2.gz YONZWHFEJUHEDY-SNVBAGLBSA-N 0 0 187.283 1.718 10 0 ADAERN C[C@@H](CC1CC1)NC(=O)n1ccnc1 69669463 572131926 /nfs/dbraw/zinc/13/19/26/572131926.db2.gz LOMRNCXGIZUOTJ-QMMMGPOBSA-N 0 0 193.250 1.629 10 0 ADAERN CC[C@@H](CC1CC1)N1CCC(=O)C1=O 69666422 572131935 /nfs/dbraw/zinc/13/19/35/572131935.db2.gz JNJTXKRYFWQHMU-VIFPVBQESA-N 0 0 195.262 1.367 10 0 ADAERN CC[C@@H](CC1CC1)[NH2+]C[C@@H](C)C(=O)[O-] 69672757 572131943 /nfs/dbraw/zinc/13/19/43/572131943.db2.gz KKGVIKVCPSVCOZ-SCZZXKLOSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)C[C@@H](O)C[C@H]1CCCO1 37465102 572131975 /nfs/dbraw/zinc/13/19/75/572131975.db2.gz DZOKYCNSDITJAC-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN c1nocc1CNN1CCCCC1 687710459 572131999 /nfs/dbraw/zinc/13/19/99/572131999.db2.gz DMCNTHAEPGBQTM-UHFFFAOYSA-N 0 0 181.239 1.165 10 0 ADAERN COC[C@H](C)[C@H](O)c1occc1C 687786950 572132012 /nfs/dbraw/zinc/13/20/12/572132012.db2.gz XHVVUBVTPZVBKV-IUCAKERBSA-N 0 0 184.235 1.904 10 0 ADAERN CCCn1nncc1NC[C@H]1C[C@H]1C 300952007 572132014 /nfs/dbraw/zinc/13/20/14/572132014.db2.gz OIKRXIGSXFXBRR-RKDXNWHRSA-N 0 0 194.282 1.756 10 0 ADAERN C[C@H]1CC[C@]([NH3+])(C(=O)[O-])C[C@@H]1C 82838213 572132390 /nfs/dbraw/zinc/13/23/90/572132390.db2.gz YSEBZFGIYMKTQS-ACLDMZEESA-N 0 0 171.240 1.225 10 0 ADAERN CNCC(=O)OC1C[C@@H](C)C[C@H](C)C1 82834810 572132195 /nfs/dbraw/zinc/13/21/95/572132195.db2.gz BXUJXPUJKVYYIV-IUCAKERBSA-N 0 0 199.294 1.574 10 0 ADAERN CC[C@@H](CC1CC1)Nc1nnnn1C 69667501 572132175 /nfs/dbraw/zinc/13/21/75/572132175.db2.gz RGBAXKDEWOMVDE-QMMMGPOBSA-N 0 0 195.270 1.201 10 0 ADAERN CC(=O)CC(=O)N[C@@H](C)CC1CC1 69669659 572132264 /nfs/dbraw/zinc/13/22/64/572132264.db2.gz CHHODIRFUJCFFF-ZETCQYMHSA-N 0 0 183.251 1.270 10 0 ADAERN CCOC(=O)[C@@H](NC)[C@H]1CC=CCC1 37458934 572132303 /nfs/dbraw/zinc/13/23/03/572132303.db2.gz VPKNAIYLKZGDSZ-UWVGGRQHSA-N 0 0 197.278 1.494 10 0 ADAERN CCCn1nncc1NC[C@@H]1C[C@H]1C 300952004 572132283 /nfs/dbraw/zinc/13/22/83/572132283.db2.gz OIKRXIGSXFXBRR-BDAKNGLRSA-N 0 0 194.282 1.756 10 0 ADAERN CC[C@H](CC1CC1)[NH2+][C@@H](C)C(=O)[O-] 69672440 572132290 /nfs/dbraw/zinc/13/22/90/572132290.db2.gz MUUBALKBJSUAQU-IONNQARKSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@H]1CC(OC(=O)[C@@H](C)N)C[C@H](C)C1 82834759 572132350 /nfs/dbraw/zinc/13/23/50/572132350.db2.gz DWNRVCPNADWNAA-WSSOQDAQSA-N 0 0 199.294 1.702 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)CC1CC1 69665860 572132359 /nfs/dbraw/zinc/13/23/59/572132359.db2.gz AOEQGADQEJYYBQ-YUMQZZPRSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@H]1CC(OCCC(N)=O)C[C@H](C)C1 82834532 572132485 /nfs/dbraw/zinc/13/24/85/572132485.db2.gz WJSMOMSXGBAQTH-ULKQDVFKSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@@H]1CC(OC(=O)CN)C[C@H](C)C1 82834765 572132502 /nfs/dbraw/zinc/13/25/02/572132502.db2.gz XTMGODMNGADGBA-JVHMLUBASA-N 0 0 185.267 1.313 10 0 ADAERN CC[C@H](CC1CC1)[NH2+][C@H](C)C(=O)[O-] 69672444 572132513 /nfs/dbraw/zinc/13/25/13/572132513.db2.gz MUUBALKBJSUAQU-VXNVDRBHSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@@H](CC1CC1)[NH2+]CC(=O)[O-] 69672482 572132542 /nfs/dbraw/zinc/13/25/42/572132542.db2.gz ZPCAXFGJJTUZLL-QMMMGPOBSA-N 0 0 171.240 1.239 10 0 ADAERN CNCc1ncc([C@H]2CC2(C)C)o1 234398801 572132544 /nfs/dbraw/zinc/13/25/44/572132544.db2.gz OSJLUZYNEMUCLC-SSDOTTSWSA-N 0 0 180.251 1.908 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+][C@H](C)CC1CC1 69665871 572132551 /nfs/dbraw/zinc/13/25/51/572132551.db2.gz AOEQGADQEJYYBQ-HTQZYQBOSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@@H](CC1CC1)N1C(=O)C=CC1=O 69666704 572132569 /nfs/dbraw/zinc/13/25/69/572132569.db2.gz NZBYLTIQJFVRQK-VIFPVBQESA-N 0 0 193.246 1.490 10 0 ADAERN CC(=O)CC(=O)N[C@H](C)CC1CC1 69669663 572132640 /nfs/dbraw/zinc/13/26/40/572132640.db2.gz CHHODIRFUJCFFF-SSDOTTSWSA-N 0 0 183.251 1.270 10 0 ADAERN CC[C@H](CC1CC1)[NH2+]CC(=O)[O-] 69672485 572132656 /nfs/dbraw/zinc/13/26/56/572132656.db2.gz ZPCAXFGJJTUZLL-MRVPVSSYSA-N 0 0 171.240 1.239 10 0 ADAERN CC[C@H](CC1CC1)[NH2+]C[C@@H](C)C(=O)[O-] 69672758 572132659 /nfs/dbraw/zinc/13/26/59/572132659.db2.gz KKGVIKVCPSVCOZ-PSASIEDQSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H]1CC[C@](C(=O)[O-])([NH+](C)C)C[C@@H]1C 82838986 572132668 /nfs/dbraw/zinc/13/26/68/572132668.db2.gz HBABPLFJTAYEAI-QXEWZRGKSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1CC[C@@]2(CC(=O)NC2=O)C[C@@H]1C 82836323 572132671 /nfs/dbraw/zinc/13/26/71/572132671.db2.gz NQAPVZQUQYPTAY-LAEOZQHASA-N 0 0 195.262 1.475 10 0 ADAERN CNCC(=O)OC1C[C@@H](C)C[C@@H](C)C1 82834809 572132761 /nfs/dbraw/zinc/13/27/61/572132761.db2.gz BXUJXPUJKVYYIV-ULKQDVFKSA-N 0 0 199.294 1.574 10 0 ADAERN CCCn1nncc1NC[C@H]1C[C@@H]1C 300952005 572132768 /nfs/dbraw/zinc/13/27/68/572132768.db2.gz OIKRXIGSXFXBRR-DTWKUNHWSA-N 0 0 194.282 1.756 10 0 ADAERN C[C@@H]1CC(OCCC(N)=O)C[C@@H](C)C1 82834533 572132776 /nfs/dbraw/zinc/13/27/76/572132776.db2.gz WJSMOMSXGBAQTH-IUCAKERBSA-N 0 0 199.294 1.703 10 0 ADAERN CC[C@@H](CC1CC1)[NH2+][C@H](C)C(=O)[O-] 69672442 572132789 /nfs/dbraw/zinc/13/27/89/572132789.db2.gz MUUBALKBJSUAQU-APPZFPTMSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@H](C)CC1CC1 69665863 572132806 /nfs/dbraw/zinc/13/28/06/572132806.db2.gz AOEQGADQEJYYBQ-SFYZADRCSA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@@H](C)[C@H](NN)C(F)F 300350485 572132845 /nfs/dbraw/zinc/13/28/45/572132845.db2.gz WAECCBXCPPKNCY-RITPCOANSA-N 0 0 166.215 1.520 10 0 ADAERN COC(=O)CN[C@H]1CC[C@@H](C)[C@@H](C)C1 82835778 572132880 /nfs/dbraw/zinc/13/28/80/572132880.db2.gz CGGOVSBQKLBZRK-UTLUCORTSA-N 0 0 199.294 1.574 10 0 ADAERN COC(=O)CN[C@@H]1CC[C@@H](C)[C@@H](C)C1 82835781 572132908 /nfs/dbraw/zinc/13/29/08/572132908.db2.gz CGGOVSBQKLBZRK-KXUCPTDWSA-N 0 0 199.294 1.574 10 0 ADAERN CNCC(=O)OC1C[C@H](C)C[C@@H](C)C1 82834811 572133033 /nfs/dbraw/zinc/13/30/33/572133033.db2.gz BXUJXPUJKVYYIV-RKDXNWHRSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@H]1CC[C@H]([NH2+]CC(=O)[O-])C[C@@H]1C 82836215 572133049 /nfs/dbraw/zinc/13/30/49/572133049.db2.gz LOWLKIRTUWFFHB-CIUDSAMLSA-N 0 0 185.267 1.485 10 0 ADAERN CCC[C@H](CC)[N@H+](C)[C@H](C)C(=O)[O-] 300352239 572135697 /nfs/dbraw/zinc/13/56/97/572135697.db2.gz JJVWSXKVPIOLQD-BDAKNGLRSA-N 0 0 187.283 1.970 10 0 ADAERN O=C(CO)CCOc1ccccc1 71498121 572133107 /nfs/dbraw/zinc/13/31/07/572133107.db2.gz FGABEIYWFAYPJE-UHFFFAOYSA-N 0 0 180.203 1.017 10 0 ADAERN C[C@H]1CC[C@@H]([NH2+]CC(=O)[O-])C[C@@H]1C 82836218 572133137 /nfs/dbraw/zinc/13/31/37/572133137.db2.gz LOWLKIRTUWFFHB-XHNCKOQMSA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@H](O)[C@@H](O)Cc1cccc(O)c1 687786628 572133151 /nfs/dbraw/zinc/13/31/51/572133151.db2.gz DCLZRWHQMFTGJD-QWRGUYRKSA-N 0 0 196.246 1.067 10 0 ADAERN C[C@H]1CC[C@@]2(C[C@@H]1C)NC(=O)NC2=O 82837811 572133293 /nfs/dbraw/zinc/13/32/93/572133293.db2.gz CXFSQRLAHNICHP-BYULHYEWSA-N 0 0 196.250 1.021 10 0 ADAERN CC[C@H](CC1CC1)N[C@H](C)C(=O)OC 69672882 572133294 /nfs/dbraw/zinc/13/32/94/572133294.db2.gz BVTYNHWHUGTFEX-PSASIEDQSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@@H](O)[C@H](O)Cc1cccc(O)c1 687786625 572133308 /nfs/dbraw/zinc/13/33/08/572133308.db2.gz DCLZRWHQMFTGJD-GHMZBOCLSA-N 0 0 196.246 1.067 10 0 ADAERN N[C@@H](c1ccc2c(c1)COC2)C(F)F 687710366 572133313 /nfs/dbraw/zinc/13/33/13/572133313.db2.gz FVVXOSJJMNQPSE-VIFPVBQESA-N 0 0 199.200 1.982 10 0 ADAERN CC[C@@H](CC1CC1)NCC(=O)OC 69673225 572133330 /nfs/dbraw/zinc/13/33/30/572133330.db2.gz HUUILXFQBSQVDQ-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN CCO[C@@H]1CC[C@@H](CC(=O)OC)C1 113612164 572133408 /nfs/dbraw/zinc/13/34/08/572133408.db2.gz RJXAHJVPGURLNY-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN CCCN(C)c1nc(C)cc(CO)n1 300952881 572133420 /nfs/dbraw/zinc/13/34/20/572133420.db2.gz UKZZJATYIGNZFG-UHFFFAOYSA-N 0 0 195.266 1.124 10 0 ADAERN CN[C@@]1(C(=O)OC)CC[C@@H](C)[C@@H](C)C1 82838270 572133431 /nfs/dbraw/zinc/13/34/31/572133431.db2.gz UBYCDDJZVBIBRK-YWVKMMECSA-N 0 0 199.294 1.574 10 0 ADAERN 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/nfs/dbraw/zinc/13/35/89/572133589.db2.gz RDRXUJAXKSKGRI-VIFPVBQESA-N 0 0 167.252 1.867 10 0 ADAERN CCO[C@H]1CC[C@@H](CC(=O)OC)C1 113612167 572133615 /nfs/dbraw/zinc/13/36/15/572133615.db2.gz RJXAHJVPGURLNY-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN C=CC(=O)N[C@H](CC)CC1CC1 69674742 572133624 /nfs/dbraw/zinc/13/36/24/572133624.db2.gz RDRXUJAXKSKGRI-SECBINFHSA-N 0 0 167.252 1.867 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CC[C@H](C)[C@@H](C)C1 82838219 572133627 /nfs/dbraw/zinc/13/36/27/572133627.db2.gz HIFOCTHSUFECLL-NRPADANISA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@H](C)[C@H](O)c1cnnn1CC 300952783 572133629 /nfs/dbraw/zinc/13/36/29/572133629.db2.gz XMTUOPFZACYESM-CBAPKCEASA-N 0 0 183.255 1.378 10 0 ADAERN CCO[C@@H]1CC[C@H](CC(=O)OC)C1 113612170 572133650 /nfs/dbraw/zinc/13/36/50/572133650.db2.gz RJXAHJVPGURLNY-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN CCOc1cccc(C(=O)CO)c1 71498108 572133655 /nfs/dbraw/zinc/13/36/55/572133655.db2.gz BFTFYPIUTRDXQW-UHFFFAOYSA-N 0 0 180.203 1.260 10 0 ADAERN 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ADAERN CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C)C(=O)[O-] 300382437 572146263 /nfs/dbraw/zinc/14/62/63/572146263.db2.gz KLCPGBFJSIQOMF-DJLDLDEBSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@@H]1COC[C@H](c2cccc(F)c2)N1 71506989 572146330 /nfs/dbraw/zinc/14/63/30/572146330.db2.gz ZZEVTVURTXBUJH-LDYMZIIASA-N 0 0 195.237 1.875 10 0 ADAERN CCC[C@@H]1NCC(=O)N1[C@H]1C[C@H]1CC 300380685 572146341 /nfs/dbraw/zinc/14/63/41/572146341.db2.gz IREGDZKXQPPWQH-KXUCPTDWSA-N 0 0 196.294 1.343 10 0 ADAERN CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)C(=O)[O-] 300380624 572146361 /nfs/dbraw/zinc/14/63/61/572146361.db2.gz IMPVKQYVGMYRHO-IWSPIJDZSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@@H]1C[C@H]1[NH2+][C@H](C)CC(=O)[O-] 300380693 572146385 /nfs/dbraw/zinc/14/63/85/572146385.db2.gz IRQSFQCGXBJNRL-BWZBUEFSSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@@H]1OCC[C@H]1C(=O)COC 300382546 572146389 /nfs/dbraw/zinc/14/63/89/572146389.db2.gz OHAWXBDWUPGCDX-CBAPKCEASA-N 0 0 172.224 1.017 10 0 ADAERN CCOC(=O)CNC[C@H](C)CC 37472525 572146441 /nfs/dbraw/zinc/14/64/41/572146441.db2.gz HXHRHFUUBIDILL-MRVPVSSYSA-N 0 0 173.256 1.185 10 0 ADAERN Cc1cc(NCCCO)ccc1N 35278177 572146466 /nfs/dbraw/zinc/14/64/66/572146466.db2.gz RGMKWAOXRPHBTK-UHFFFAOYSA-N 0 0 180.251 1.372 10 0 ADAERN C/C=C/C[N@H+](CC(=O)[O-])C1CC1 37474666 572146482 /nfs/dbraw/zinc/14/64/82/572146482.db2.gz YJSFIMXCXRPHKB-NSCUHMNNSA-N 0 0 169.224 1.112 10 0 ADAERN CCCCCc1oc(=O)[nH]c1N 300957651 572146568 /nfs/dbraw/zinc/14/65/68/572146568.db2.gz FYSJKOSHJCKFBO-ZCFIWIBFSA-N 0 0 170.212 1.443 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)C(=O)[O-] 300382440 572146660 /nfs/dbraw/zinc/14/66/60/572146660.db2.gz KLCPGBFJSIQOMF-YIZRAAEISA-N 0 0 185.267 1.485 10 0 ADAERN CCCc1nn(C)c2c1CCCN2 249719503 572148050 /nfs/dbraw/zinc/14/80/50/572148050.db2.gz CQMKVSDRQSWLBR-UHFFFAOYSA-N 0 0 179.267 1.731 10 0 ADAERN CCOC(=O)CNc1cccc(N)c1 37472452 572146687 /nfs/dbraw/zinc/14/66/87/572146687.db2.gz PBWVSTHZVJADFQ-UHFFFAOYSA-N 0 0 194.234 1.244 10 0 ADAERN CCOC(=O)CN[C@@H](C)C1(C)CC1 37472547 572146782 /nfs/dbraw/zinc/14/67/82/572146782.db2.gz ATOQCNBTRPAAEU-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CCSCCCN1C(=O)C=CC1=O 300957124 572146813 /nfs/dbraw/zinc/14/68/13/572146813.db2.gz PVEKUDMACWHSFE-UHFFFAOYSA-N 0 0 199.275 1.055 10 0 ADAERN CCCC[C@H](C)NCC(=O)OCC 37472580 572146814 /nfs/dbraw/zinc/14/68/14/572146814.db2.gz LJKLZTDDOARTOO-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN CC(=O)CC(=O)N[C@@H](C)C1CCCC1 69805882 572146981 /nfs/dbraw/zinc/14/69/81/572146981.db2.gz ZWFAQEAQKWABRN-VIFPVBQESA-N 0 0 197.278 1.660 10 0 ADAERN CCCCCc1oc(=O)[nH]c1N 300957649 572147022 /nfs/dbraw/zinc/14/70/22/572147022.db2.gz FYSJKOSHJCKFBO-LURJTMIESA-N 0 0 170.212 1.443 10 0 ADAERN C[C@@H](CCC(=O)[O-])Nc1[nH+]ccn1C 69838177 572147187 /nfs/dbraw/zinc/14/71/87/572147187.db2.gz YNWYDMFXHDKSJV-ZETCQYMHSA-N 0 0 197.238 1.085 10 0 ADAERN C[C@H]1C(=O)Cc2cccn21 18289541 572147298 /nfs/dbraw/zinc/14/72/98/572147298.db2.gz BYIRTXPWVMFKTH-LURJTMIESA-N 0 0 135.166 1.174 10 0 ADAERN 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/nfs/dbraw/zinc/14/80/39/572148039.db2.gz LDTNOGSEPZNYSQ-UHFFFAOYSA-N 0 0 195.218 1.367 10 0 ADAERN O[C@]1(CCCC(F)F)CCCOC1 687891171 572148047 /nfs/dbraw/zinc/14/80/47/572148047.db2.gz PIIVLTXPDAUOJA-SECBINFHSA-N 0 0 194.221 1.963 10 0 ADAERN CCCOC[C@H]([NH3+])c1cccnc1N 69845514 572148117 /nfs/dbraw/zinc/14/81/17/572148117.db2.gz VCWSDRZOKUBIMU-VIFPVBQESA-N 0 0 195.266 1.090 10 0 ADAERN C[C@H]1CC[C@H](OCCC(N)=O)C[C@@H]1C 82841055 572149246 /nfs/dbraw/zinc/14/92/46/572149246.db2.gz AKVRLMUIFGDDRD-GUBZILKMSA-N 0 0 199.294 1.703 10 0 ADAERN F[C@@H]1Cc2n[nH]cc2[C@H]1F 18296113 572148316 /nfs/dbraw/zinc/14/83/16/572148316.db2.gz LZWCXUOIFXAANY-INEUFUBQSA-N 0 0 144.124 1.315 10 0 ADAERN CCCCN1C(=O)CN(C(C)C)C1=O 37475227 572149254 /nfs/dbraw/zinc/14/92/54/572149254.db2.gz OGDXMRFMCYFWPK-UHFFFAOYSA-N 0 0 198.266 1.459 10 0 ADAERN CCCC[C@@H](O)c1cccnc1N 69844270 572148348 /nfs/dbraw/zinc/14/83/48/572148348.db2.gz UVJZPJMRCPHJHZ-SECBINFHSA-N 0 0 180.251 1.887 10 0 ADAERN 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/nfs/dbraw/zinc/14/95/72/572149572.db2.gz HNDYSBORHULXMH-MRVPVSSYSA-N 0 0 198.291 1.450 10 0 ADAERN C[C@H]1CC[C@@H](OC(=O)[C@@H](C)N)C[C@@H]1C 82840041 572149645 /nfs/dbraw/zinc/14/96/45/572149645.db2.gz XDASFLZIDNKEFW-AXTSPUMRSA-N 0 0 199.294 1.702 10 0 ADAERN C[C@H]1CC[C@H](OCC(N)=O)C[C@@H]1C 82841039 572149675 /nfs/dbraw/zinc/14/96/75/572149675.db2.gz CUWREQQHNZPXKL-CIUDSAMLSA-N 0 0 185.267 1.313 10 0 ADAERN C[C@H](N)C(=O)O[C@H]1CC[C@H](C)[C@@H](C)C1 82839884 572149738 /nfs/dbraw/zinc/14/97/38/572149738.db2.gz XDASFLZIDNKEFW-XKNYDFJKSA-N 0 0 199.294 1.702 10 0 ADAERN CCCOC[C@@H]([NH3+])c1cccnc1N 69845516 572149847 /nfs/dbraw/zinc/14/98/47/572149847.db2.gz VCWSDRZOKUBIMU-SECBINFHSA-N 0 0 195.266 1.090 10 0 ADAERN CNCC(=O)O[C@H]1CC[C@H](C)[C@@H](C)C1 82840062 572149857 /nfs/dbraw/zinc/14/98/57/572149857.db2.gz FTESYXQFDZXKFC-GUBZILKMSA-N 0 0 199.294 1.574 10 0 ADAERN CCN([C@@H](C)COC)[S@](=O)CC 687787961 572149874 /nfs/dbraw/zinc/14/98/74/572149874.db2.gz RIXKMYKCYAUHAS-QPUJVOFHSA-N 0 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/nfs/dbraw/zinc/15/04/58/572150458.db2.gz OWGFABYIMYPOTD-RGOKHQFPSA-N 0 0 197.278 1.628 10 0 ADAERN CNCC(=O)O[C@@H]1CC[C@@H](C)[C@@H](C)C1 82840063 572150462 /nfs/dbraw/zinc/15/04/62/572150462.db2.gz FTESYXQFDZXKFC-KXUCPTDWSA-N 0 0 199.294 1.574 10 0 ADAERN CCCc1cc(=O)n([C@H]2CC[NH2+]C2)[n-]1 249726553 572150579 /nfs/dbraw/zinc/15/05/79/572150579.db2.gz VOHZCILMGNVKJW-VIFPVBQESA-N 0 0 195.266 1.076 10 0 ADAERN C[C@H]1CC[C@@H](OCCO)C[C@@H]1C 82841080 572150601 /nfs/dbraw/zinc/15/06/01/572150601.db2.gz KMRHNDSQSYPVJC-LPEHRKFASA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H]1CC[C@@]2(CC(=O)N2)C[C@@H]1C 82839612 572150640 /nfs/dbraw/zinc/15/06/40/572150640.db2.gz WKJITKFRXXFHOY-NRPADANISA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1CC[C@@H](OCC(N)=O)C[C@@H]1C 82841044 572150716 /nfs/dbraw/zinc/15/07/16/572150716.db2.gz CUWREQQHNZPXKL-XHNCKOQMSA-N 0 0 185.267 1.313 10 0 ADAERN C[C@H]1CC[C@H](OC(=O)[C@@H](C)N)C[C@@H]1C 82840038 572150731 /nfs/dbraw/zinc/15/07/31/572150731.db2.gz 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/nfs/dbraw/zinc/15/21/02/572152102.db2.gz MURVAEFIEMESDQ-INWYIAFRSA-N 0 0 197.250 1.447 10 0 ADAERN C[C@H]1CC[C@]2(CC(=O)N2)C[C@@H]1C 82839609 572151053 /nfs/dbraw/zinc/15/10/53/572151053.db2.gz WKJITKFRXXFHOY-OYNCUSHFSA-N 0 0 167.252 1.701 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C(=O)[O-])C(C)C 300387177 572151069 /nfs/dbraw/zinc/15/10/69/572151069.db2.gz PCXHOIADFCJCLP-UTLUCORTSA-N 0 0 199.294 1.874 10 0 ADAERN C[C@H]1CC[C@@]([NH3+])(CC(=O)[O-])C[C@@H]1C 82839622 572151151 /nfs/dbraw/zinc/15/11/51/572151151.db2.gz AWEKKYQIQKJRFR-NRPADANISA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H]1CC[C@H](OC(=O)CN)C[C@@H]1C 82840086 572151198 /nfs/dbraw/zinc/15/11/98/572151198.db2.gz ZPDAIGOECMQNJR-CIUDSAMLSA-N 0 0 185.267 1.313 10 0 ADAERN CO[C@H]1CCC[C@H](OC[C@H](C)O)C1 69849334 572151241 /nfs/dbraw/zinc/15/12/41/572151241.db2.gz QYPDBDAWPNSNPQ-GUBZILKMSA-N 0 0 188.267 1.341 10 0 ADAERN C[C@H]1CC[C@@H](OC(=O)CN)C[C@@H]1C 82840088 572151255 /nfs/dbraw/zinc/15/12/55/572151255.db2.gz 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687787843 572151623 /nfs/dbraw/zinc/15/16/23/572151623.db2.gz MURVAEFIEMESDQ-QTTZVWFDSA-N 0 0 197.250 1.447 10 0 ADAERN CC[C@@H]1C[C@@H]1NCc1noc(C)n1 300386722 572151800 /nfs/dbraw/zinc/15/18/00/572151800.db2.gz ORIWJLHRNBNLKO-SFYZADRCSA-N 0 0 181.239 1.266 10 0 ADAERN CO[C@H]1CCC[C@@H](OC[C@@H](C)O)C1 69849331 572151812 /nfs/dbraw/zinc/15/18/12/572151812.db2.gz QYPDBDAWPNSNPQ-KXUCPTDWSA-N 0 0 188.267 1.341 10 0 ADAERN CO[C@H]1CCC[C@H](OCCCO)C1 69849320 572151841 /nfs/dbraw/zinc/15/18/41/572151841.db2.gz BOHZDHBRHWITLF-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CO[C@@H]1CCC[C@@H](OCC(C)=O)C1 69849025 572151889 /nfs/dbraw/zinc/15/18/89/572151889.db2.gz DZNHHDSVUAHFKZ-NXEZZACHSA-N 0 0 186.251 1.550 10 0 ADAERN CC[S@@](=O)N[C@H]1CCC(F)(F)C1 687787842 572151900 /nfs/dbraw/zinc/15/19/00/572151900.db2.gz MURVAEFIEMESDQ-PWCHPLFNSA-N 0 0 197.250 1.447 10 0 ADAERN CC[C@@H](C)[C@@H](O)C(=O)NC(C)(C)C 238796705 572151925 /nfs/dbraw/zinc/15/19/25/572151925.db2.gz HLYDNNWXTIHASR-HTQZYQBOSA-N 0 0 187.283 1.308 10 0 ADAERN CC[C@H](C)[N@@H+]1CCCC[C@@H]1C(=O)[O-] 35299404 572151936 /nfs/dbraw/zinc/15/19/36/572151936.db2.gz ICPVSXVHFVBKOD-DTWKUNHWSA-N 0 0 185.267 1.724 10 0 ADAERN CO[C@@H]1CCC[C@@H](SCCO)C1 69849747 572151965 /nfs/dbraw/zinc/15/19/65/572151965.db2.gz BSYULDMTIXVGBW-RKDXNWHRSA-N 0 0 190.308 1.670 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H]1C(=O)[O-] 300386765 572151973 /nfs/dbraw/zinc/15/19/73/572151973.db2.gz OWGFABYIMYPOTD-IMSYWVGJSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH3+])C[C@@H]1C 82847063 572152028 /nfs/dbraw/zinc/15/20/28/572152028.db2.gz WZPXDRDFIRWXQH-QEYWKRMJSA-N 0 0 198.310 1.275 10 0 ADAERN C[C@H]1CC[C@@H](NC(N)=S)C[C@@H]1C 82846715 572152055 /nfs/dbraw/zinc/15/20/55/572152055.db2.gz KXOYZEWBPFCGKM-BIIVOSGPSA-N 0 0 186.324 1.644 10 0 ADAERN CC[C@@H](C)[C@@H](O)C(F)(F)F 43368006 572152070 /nfs/dbraw/zinc/15/20/70/572152070.db2.gz YFHSXTIFYOSFFE-RFZPGFLSSA-N 0 0 156.147 1.956 10 0 ADAERN C[NH2+]CC(=O)N[C@H]1CC[C@H](C)[C@@H](C)C1 82847091 572152150 /nfs/dbraw/zinc/15/21/50/572152150.db2.gz SHSXQDZQRTZOIP-GUBZILKMSA-N 0 0 198.310 1.147 10 0 ADAERN CSCC[C@H](O)C(F)(F)F 43367991 572152768 /nfs/dbraw/zinc/15/27/68/572152768.db2.gz ZSGYSPAUSQNVKO-BYPYZUCNSA-N 0 0 174.187 1.663 10 0 ADAERN CC[C@@H](C)[N@@H+]1CCCC[C@@H]1C(=O)[O-] 35299401 572152199 /nfs/dbraw/zinc/15/21/99/572152199.db2.gz ICPVSXVHFVBKOD-RKDXNWHRSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H]1CC[C@@H](n2cnc(N)n2)C[C@@H]1C 82841852 572152224 /nfs/dbraw/zinc/15/22/24/572152224.db2.gz MGARKUDXFHIHDA-XHNCKOQMSA-N 0 0 194.282 1.858 10 0 ADAERN C[C@H]1CC[C@@H]([NH2+]C2COC2)C[C@@H]1C 82846434 572152322 /nfs/dbraw/zinc/15/23/22/572152322.db2.gz DENOXOVCIPIHOW-LPEHRKFASA-N 0 0 183.295 1.800 10 0 ADAERN CCCC[C@@H](O)[C@@H](C)COC 69903972 572153578 /nfs/dbraw/zinc/15/35/78/572153578.db2.gz IRPGWYURCKUHOL-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN Cc1ccc([C@@]23CNC(=O)[C@@H]2C3)cc1 35303685 572152343 /nfs/dbraw/zinc/15/23/43/572152343.db2.gz QZNYFUDMBZDGHX-CMPLNLGQSA-N 0 0 187.242 1.383 10 0 ADAERN CO[C@H]1CCC[C@@H](OCCCO)C1 69849325 572152377 /nfs/dbraw/zinc/15/23/77/572152377.db2.gz BOHZDHBRHWITLF-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H]1C(=O)[O-] 300386766 572152407 /nfs/dbraw/zinc/15/24/07/572152407.db2.gz OWGFABYIMYPOTD-KATARQTJSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@H]1CC[C@@H](NC(=O)[C@@H](C)[NH3+])C[C@@H]1C 82847065 572152412 /nfs/dbraw/zinc/15/24/12/572152412.db2.gz WZPXDRDFIRWXQH-AXTSPUMRSA-N 0 0 198.310 1.275 10 0 ADAERN CO[C@@H]1CCC[C@H](SCCO)C1 69849745 572152418 /nfs/dbraw/zinc/15/24/18/572152418.db2.gz BSYULDMTIXVGBW-BDAKNGLRSA-N 0 0 190.308 1.670 10 0 ADAERN C[C@H]1CC[C@H](NC(N)=O)C[C@@H]1C 82846809 572152473 /nfs/dbraw/zinc/15/24/73/572152473.db2.gz BYMWRQFVNDHAJF-FXQIFTODSA-N 0 0 170.256 1.479 10 0 ADAERN CO[C@H]1CCC[C@H](OCC(C)=O)C1 69849023 572152481 /nfs/dbraw/zinc/15/24/81/572152481.db2.gz DZNHHDSVUAHFKZ-UWVGGRQHSA-N 0 0 186.251 1.550 10 0 ADAERN CCOC(=O)[C@@H]([NH3+])C1CCC(C)CC1 82848597 572152650 /nfs/dbraw/zinc/15/26/50/572152650.db2.gz PFGHHMBTEQIVRM-RTBKNWGFSA-N 0 0 199.294 1.703 10 0 ADAERN CC(C)C[C@@H](O)C(F)(F)F 43367911 572152710 /nfs/dbraw/zinc/15/27/10/572152710.db2.gz QSTJOHVLWZPHGL-RXMQYKEDSA-N 0 0 156.147 1.956 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]1C(=O)[O-] 300386767 572152754 /nfs/dbraw/zinc/15/27/54/572152754.db2.gz OWGFABYIMYPOTD-KYXWUPHJSA-N 0 0 197.278 1.628 10 0 ADAERN CCC1CCC([C@H]([NH3+])C(=O)OC)CC1 82848594 572154124 /nfs/dbraw/zinc/15/41/24/572154124.db2.gz MCQZILPJKWEAFI-RTBKNWGFSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@H]1CC[C@H](NC#N)C[C@@H]1C 82846469 572152834 /nfs/dbraw/zinc/15/28/34/572152834.db2.gz HEWNZMKSRGNZJJ-CIUDSAMLSA-N 0 0 152.241 1.882 10 0 ADAERN CO[C@H]1CCC[C@H](OC[C@@H](C)O)C1 69849336 572152849 /nfs/dbraw/zinc/15/28/49/572152849.db2.gz QYPDBDAWPNSNPQ-UTLUCORTSA-N 0 0 188.267 1.341 10 0 ADAERN CO[C@H]1CCC[C@@H](OC[C@H](C)O)C1 69849328 572152918 /nfs/dbraw/zinc/15/29/18/572152918.db2.gz QYPDBDAWPNSNPQ-LPEHRKFASA-N 0 0 188.267 1.341 10 0 ADAERN CO[C@H]1CCC[C@H](SCCO)C1 69849746 572152926 /nfs/dbraw/zinc/15/29/26/572152926.db2.gz BSYULDMTIXVGBW-IUCAKERBSA-N 0 0 190.308 1.670 10 0 ADAERN C[C@H]1CC[C@H](NC(N)=S)C[C@@H]1C 82846712 572152957 /nfs/dbraw/zinc/15/29/57/572152957.db2.gz KXOYZEWBPFCGKM-FXQIFTODSA-N 0 0 186.324 1.644 10 0 ADAERN CCOC(=O)[C@H]([NH3+])C1CCC(C)CC1 82848596 572153077 /nfs/dbraw/zinc/15/30/77/572153077.db2.gz PFGHHMBTEQIVRM-UDNWOFFPSA-N 0 0 199.294 1.703 10 0 ADAERN CCC[C@@H]1C[C@H]1[NH2+][C@H](C(=O)[O-])C(C)C 300387174 572153124 /nfs/dbraw/zinc/15/31/24/572153124.db2.gz PCXHOIADFCJCLP-BBBLOLIVSA-N 0 0 199.294 1.874 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C(=O)[O-])C(C)C 300387175 572153157 /nfs/dbraw/zinc/15/31/57/572153157.db2.gz PCXHOIADFCJCLP-KXUCPTDWSA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@H](CN1CCCSC1)OC 687822230 572153168 /nfs/dbraw/zinc/15/31/68/572153168.db2.gz OVTXLAZAURRXTR-SECBINFHSA-N 0 0 189.324 1.808 10 0 ADAERN CC[C@@H]1OCC[C@H]1C(=O)NCC(C)C 300387454 572153206 /nfs/dbraw/zinc/15/32/06/572153206.db2.gz SEHHKVOZPSAYQH-ZJUUUORDSA-N 0 0 199.294 1.574 10 0 ADAERN CSCC[C@@H](O)C(F)(F)F 43367992 572153222 /nfs/dbraw/zinc/15/32/22/572153222.db2.gz ZSGYSPAUSQNVKO-SCSAIBSYSA-N 0 0 174.187 1.663 10 0 ADAERN C[C@H]1CC[C@@H]([N@H+](C)CC(=O)[O-])C[C@@H]1C 82842292 572153260 /nfs/dbraw/zinc/15/32/60/572153260.db2.gz VMMQIRIRXYQMHU-LPEHRKFASA-N 0 0 199.294 1.828 10 0 ADAERN CCCc1cc(=O)n([C@@H]2CC[NH2+]C2)[n-]1 249726552 572153263 /nfs/dbraw/zinc/15/32/63/572153263.db2.gz VOHZCILMGNVKJW-SECBINFHSA-N 0 0 195.266 1.076 10 0 ADAERN COC[C@H](C)[C@@H](O)C1CCOCC1 69903925 572154154 /nfs/dbraw/zinc/15/41/54/572154154.db2.gz RBGUEIMLHUWVLC-WCBMZHEXSA-N 0 0 188.267 1.056 10 0 ADAERN CC[C@H](C)[C@@H](O)C(F)(F)F 43368007 572153351 /nfs/dbraw/zinc/15/33/51/572153351.db2.gz YFHSXTIFYOSFFE-CRCLSJGQSA-N 0 0 156.147 1.956 10 0 ADAERN CC[C@H]1N=C(CC(C)(C)C)NC1=O 234065879 572153357 /nfs/dbraw/zinc/15/33/57/572153357.db2.gz GPMOLNWLVKSXQX-SSDOTTSWSA-N 0 0 182.267 1.730 10 0 ADAERN COC[C@H](C)[C@@H](O)c1cccnc1 69903623 572153361 /nfs/dbraw/zinc/15/33/61/572153361.db2.gz WQLDXHOYQXGCMJ-WCBMZHEXSA-N 0 0 181.235 1.398 10 0 ADAERN CC[S@](=O)N[C@H]1CC[C@H]1C 687787549 572153374 /nfs/dbraw/zinc/15/33/74/572153374.db2.gz FBRRILOCNWCENN-FWWHASMVSA-N 0 0 161.270 1.058 10 0 ADAERN COCC(=O)N[C@H]1CC[C@@H](C)[C@@H](C)C1 82848150 572153387 /nfs/dbraw/zinc/15/33/87/572153387.db2.gz DBRPKEGGQSSBEB-UTLUCORTSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@H]1CC[C@H](n2cnc(N)n2)C[C@@H]1C 82841846 572153400 /nfs/dbraw/zinc/15/34/00/572153400.db2.gz MGARKUDXFHIHDA-CIUDSAMLSA-N 0 0 194.282 1.858 10 0 ADAERN C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)[C@@H](C)C1 82847030 572153426 /nfs/dbraw/zinc/15/34/26/572153426.db2.gz WZPXDRDFIRWXQH-XKNYDFJKSA-N 0 0 198.310 1.275 10 0 ADAERN C[C@H]1CC[C@H]([N@H+](C)CC(=O)[O-])C[C@@H]1C 82842288 572153450 /nfs/dbraw/zinc/15/34/50/572153450.db2.gz VMMQIRIRXYQMHU-GUBZILKMSA-N 0 0 199.294 1.828 10 0 ADAERN [NH3+][C@H](CCC(=O)[O-])C1CCCC1 82855572 572153456 /nfs/dbraw/zinc/15/34/56/572153456.db2.gz RSGLNHOBSWPHNQ-MRVPVSSYSA-N 0 0 171.240 1.369 10 0 ADAERN COC[C@@H](C)[C@@H](O)C1CCOCC1 69903927 572153471 /nfs/dbraw/zinc/15/34/71/572153471.db2.gz RBGUEIMLHUWVLC-PSASIEDQSA-N 0 0 188.267 1.056 10 0 ADAERN COC[C@H](C)Sc1ccc(N)nc1 69902456 572153482 /nfs/dbraw/zinc/15/34/82/572153482.db2.gz JYPRYVRQPWKYQZ-ZETCQYMHSA-N 0 0 198.291 1.791 10 0 ADAERN CC(=O)N[C@H]1CC[C@@H](C)[C@@H](C)C1 82848163 572153519 /nfs/dbraw/zinc/15/35/19/572153519.db2.gz UFENYORODCMZII-WEDXCCLWSA-N 0 0 169.268 1.947 10 0 ADAERN CC[S@](=O)N[C@@H]1CC[C@H]1C 687787551 572153535 /nfs/dbraw/zinc/15/35/35/572153535.db2.gz FBRRILOCNWCENN-XSSZXYGBSA-N 0 0 161.270 1.058 10 0 ADAERN COC[C@H](C)[C@H](O)c1cccnc1 69903621 572153549 /nfs/dbraw/zinc/15/35/49/572153549.db2.gz WQLDXHOYQXGCMJ-WPRPVWTQSA-N 0 0 181.235 1.398 10 0 ADAERN COC[C@H](C)Oc1ccccc1CO 69902584 572153806 /nfs/dbraw/zinc/15/38/06/572153806.db2.gz ZNWNVZJFTVVTSB-VIFPVBQESA-N 0 0 196.246 1.593 10 0 ADAERN CC[S@](=O)N(CCOC)C(C)C 687787916 572153564 /nfs/dbraw/zinc/15/35/64/572153564.db2.gz PECXDJOZRNSICK-LBPRGKRZSA-N 0 0 193.312 1.027 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H](C)COC 69903842 572153585 /nfs/dbraw/zinc/15/35/85/572153585.db2.gz VBDLNONIVLDRHH-XHNCKOQMSA-N 0 0 160.257 1.676 10 0 ADAERN COC[C@@H](C)[C@H](O)c1ccoc1 69903855 572153632 /nfs/dbraw/zinc/15/36/32/572153632.db2.gz WDYWTDRBGJNMHP-APPZFPTMSA-N 0 0 170.208 1.596 10 0 ADAERN COC[C@@H](C)[C@H](O)CC(C)C 69903940 572153664 /nfs/dbraw/zinc/15/36/64/572153664.db2.gz ZBSSJMQKXAIVMJ-RKDXNWHRSA-N 0 0 160.257 1.676 10 0 ADAERN C[NH2+]CC(=O)N[C@H]1CC[C@@H](C)[C@@H](C)C1 82847090 572153691 /nfs/dbraw/zinc/15/36/91/572153691.db2.gz SHSXQDZQRTZOIP-UTLUCORTSA-N 0 0 198.310 1.147 10 0 ADAERN C=CC(=O)N[C@@H]1CC[C@@H](SCC)C1 300388807 572153701 /nfs/dbraw/zinc/15/37/01/572153701.db2.gz OTIKFZTYODWDKE-RKDXNWHRSA-N 0 0 199.319 1.963 10 0 ADAERN COCC(=O)N[C@H]1CC[C@H](C)[C@@H](C)C1 82848151 572154179 /nfs/dbraw/zinc/15/41/79/572154179.db2.gz DBRPKEGGQSSBEB-GUBZILKMSA-N 0 0 199.294 1.574 10 0 ADAERN CC[C@H]1N=C(C(C)(C)C)NC1=O 234065767 572153726 /nfs/dbraw/zinc/15/37/26/572153726.db2.gz XOLONHHVOYNRPP-ZCFIWIBFSA-N 0 0 168.240 1.339 10 0 ADAERN CC[C@H]1N=C(CC(F)(F)F)NC1=O 234065919 572154180 /nfs/dbraw/zinc/15/41/80/572154180.db2.gz ZPPUNGRZDBYGCP-SCSAIBSYSA-N 0 0 194.156 1.246 10 0 ADAERN COC[C@H](C)Oc1ccccc1O 69902880 572153762 /nfs/dbraw/zinc/15/37/62/572153762.db2.gz BMEKIWDVXIZXMT-QMMMGPOBSA-N 0 0 182.219 1.806 10 0 ADAERN CCC[C@@H]1C[C@H]1N[C@H](CC)C(=O)OC 300389284 572153789 /nfs/dbraw/zinc/15/37/89/572153789.db2.gz RWJVPKPHZCHDSX-OPRDCNLKSA-N 0 0 199.294 1.716 10 0 ADAERN COC[C@@H](C)Oc1cccc(C)c1N 69901368 572153790 /nfs/dbraw/zinc/15/37/90/572153790.db2.gz WBMODXCWEAQSLL-SECBINFHSA-N 0 0 195.262 1.991 10 0 ADAERN COC[C@@H](C)Oc1cccnc1N 69901342 572153812 /nfs/dbraw/zinc/15/38/12/572153812.db2.gz 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/nfs/dbraw/zinc/15/73/57/572157357.db2.gz AOZPSDDDIULPOK-ZETCQYMHSA-N 0 0 184.214 1.056 10 0 ADAERN C[C@H](CNN)Oc1ccc(F)cc1 71499535 572157359 /nfs/dbraw/zinc/15/73/59/572157359.db2.gz USPYTXYVOFBEGR-SSDOTTSWSA-N 0 0 184.214 1.056 10 0 ADAERN COC[C@@H](C)n1nc(C)c(CO)c1C 69906349 572157539 /nfs/dbraw/zinc/15/75/39/572157539.db2.gz SHLJEVLRKRCHKX-SSDOTTSWSA-N 0 0 198.266 1.200 10 0 ADAERN COC[C@@H](C)[C@H](O)Cc1cccnc1 69904709 572157555 /nfs/dbraw/zinc/15/75/55/572157555.db2.gz JTWPRAGPADQTNE-MWLCHTKSSA-N 0 0 195.262 1.268 10 0 ADAERN C[C@H]1CCC[C@](C(=O)[O-])([NH+](C)C)[C@@H]1C 82861619 572157575 /nfs/dbraw/zinc/15/75/75/572157575.db2.gz RNKLXINBBFUSDS-NGZCFLSTSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1csc([C@](C)(O)[C@H](C)O)c1 35323885 572157583 /nfs/dbraw/zinc/15/75/83/572157583.db2.gz MUQDRXRSTVTQGF-IONNQARKSA-N 0 0 186.276 1.645 10 0 ADAERN Cc1cc([C@](C)(O)[C@H](C)O)cs1 35323910 572157591 /nfs/dbraw/zinc/15/75/91/572157591.db2.gz JDOAVOKTBKIYEF-IONNQARKSA-N 0 0 186.276 1.645 10 0 ADAERN COC[C@@H](C)[C@H](O)Cc1ccccn1 69904546 572157594 /nfs/dbraw/zinc/15/75/94/572157594.db2.gz GVFIZSSBTSETMD-MWLCHTKSSA-N 0 0 195.262 1.268 10 0 ADAERN C[C@@H](O)[C@](C)(O)c1cccs1 35323862 572157619 /nfs/dbraw/zinc/15/76/19/572157619.db2.gz AREZZROFACFNLX-SVRRBLITSA-N 0 0 172.249 1.336 10 0 ADAERN C[C@@H](O)[C@@](C)(O)c1ccsc1 35324565 572157633 /nfs/dbraw/zinc/15/76/33/572157633.db2.gz SIFAPOKWIQNEIZ-HTRCEHHLSA-N 0 0 172.249 1.336 10 0 ADAERN COC[C@@H](C)n1cc([C@@H](C)O)cn1 69906361 572157638 /nfs/dbraw/zinc/15/76/38/572157638.db2.gz LATKWCSPYUPJKO-HTQZYQBOSA-N 0 0 184.239 1.144 10 0 ADAERN COC[C@@H](C)[C@H](O)Cc1ccncc1 69904714 572158033 /nfs/dbraw/zinc/15/80/33/572158033.db2.gz FAFKKWJJLMVXFX-MWLCHTKSSA-N 0 0 195.262 1.268 10 0 ADAERN O[C@H]1C=C2CCC[C@H]2CC1 18511256 572157660 /nfs/dbraw/zinc/15/76/60/572157660.db2.gz KJXSSMLQTCGARK-IONNQARKSA-N 0 0 138.210 1.868 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H]1C(=O)[O-] 300391222 572157682 /nfs/dbraw/zinc/15/76/82/572157682.db2.gz VFJDJYUJLQUTMH-XGEHTFHBSA-N 0 0 183.251 1.238 10 0 ADAERN COC[C@@H](C)n1cc(C(C)=O)cn1 69906284 572157721 /nfs/dbraw/zinc/15/77/21/572157721.db2.gz PKBYEAZGPSJLMG-SSDOTTSWSA-N 0 0 182.223 1.293 10 0 ADAERN CC[C@@H]1OCC[C@@H]1[C@@H](O)CC1CC1 300391762 572157722 /nfs/dbraw/zinc/15/77/22/572157722.db2.gz YBSBFDWAFGXUGM-VWYCJHECSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H](CNN)Oc1ccccc1F 71499520 572157741 /nfs/dbraw/zinc/15/77/41/572157741.db2.gz PDTYWKGJZYCXJO-ZETCQYMHSA-N 0 0 184.214 1.056 10 0 ADAERN C[C@H](COc1ccc(F)cc1)NN 71499533 572157755 /nfs/dbraw/zinc/15/77/55/572157755.db2.gz HMBNFJURAWSNCE-SSDOTTSWSA-N 0 0 184.214 1.056 10 0 ADAERN COC[C@@H](C)n1cc([C@H](C)O)cn1 69906363 572157761 /nfs/dbraw/zinc/15/77/61/572157761.db2.gz LATKWCSPYUPJKO-SFYZADRCSA-N 0 0 184.239 1.144 10 0 ADAERN COC[C@@H](C)n1nc(C)c(C=O)c1C 69906287 572158042 /nfs/dbraw/zinc/15/80/42/572158042.db2.gz UZRASEXQAWUDBX-SSDOTTSWSA-N 0 0 196.250 1.520 10 0 ADAERN C[C@H](O)[C@@](C)(O)c1cccs1 35323864 572157795 /nfs/dbraw/zinc/15/77/95/572157795.db2.gz AREZZROFACFNLX-POYBYMJQSA-N 0 0 172.249 1.336 10 0 ADAERN C[C@H]1CC[C@@H](C)[C@H](S(N)(=O)=O)C1 82861979 572157796 /nfs/dbraw/zinc/15/77/96/572157796.db2.gz RDDNQSSQPIYXJA-XLPZGREQSA-N 0 0 191.296 1.100 10 0 ADAERN COC[C@H](C)[C@@H](O)Cc1cccnc1 69904710 572157814 /nfs/dbraw/zinc/15/78/14/572157814.db2.gz JTWPRAGPADQTNE-ONGXEEELSA-N 0 0 195.262 1.268 10 0 ADAERN C/C=C\C(=O)N(C)C[C@@H]1C[C@H]1C 251188799 572157818 /nfs/dbraw/zinc/15/78/18/572157818.db2.gz BQGWYRHEOCUZQB-KHTCFXRASA-N 0 0 167.252 1.677 10 0 ADAERN CCc1ccc(CCC(=O)CO)cc1 71506091 572157824 /nfs/dbraw/zinc/15/78/24/572157824.db2.gz ZQFGXRDHQMJRSJ-UHFFFAOYSA-N 0 0 192.258 1.743 10 0 ADAERN Cc1csc([C@@](C)(O)[C@@H](C)O)c1 35323882 572158044 /nfs/dbraw/zinc/15/80/44/572158044.db2.gz MUQDRXRSTVTQGF-APPZFPTMSA-N 0 0 186.276 1.645 10 0 ADAERN C[C@@H](O)[C@@](C)(O)c1cccs1 35323865 572157842 /nfs/dbraw/zinc/15/78/42/572157842.db2.gz AREZZROFACFNLX-HTRCEHHLSA-N 0 0 172.249 1.336 10 0 ADAERN CC[S@@](=O)N1CC(C)(C)C1 687787622 572157860 /nfs/dbraw/zinc/15/78/60/572157860.db2.gz NVQJNBHBOJDGAG-SNVBAGLBSA-N 0 0 161.270 1.012 10 0 ADAERN COc1ccccc1O[N+](=O)[O-] 114402965 572157887 /nfs/dbraw/zinc/15/78/87/572157887.db2.gz MOBTZZXOXQZHQJ-UHFFFAOYSA-N 0 0 169.136 1.266 10 0 ADAERN CCCCCN[S@](=O)CC 687788552 572157918 /nfs/dbraw/zinc/15/79/18/572157918.db2.gz GTEWDBMRNPHEBH-SNVBAGLBSA-N 0 0 163.286 1.450 10 0 ADAERN COC[C@@H](C)[C@@H](O)Cc1ccccn1 69904548 572157942 /nfs/dbraw/zinc/15/79/42/572157942.db2.gz GVFIZSSBTSETMD-KOLCDFICSA-N 0 0 195.262 1.268 10 0 ADAERN COCCOCc1ccc(N)cc1F 82864896 572157945 /nfs/dbraw/zinc/15/79/45/572157945.db2.gz ZWBXMMULBIPYNJ-UHFFFAOYSA-N 0 0 199.225 1.571 10 0 ADAERN Cc1ccc([C@@](C)(O)[C@H](C)O)s1 35323876 572157949 /nfs/dbraw/zinc/15/79/49/572157949.db2.gz WAXGUYUFYRGOHV-CBAPKCEASA-N 0 0 186.276 1.645 10 0 ADAERN COC[C@H](C)n1nc(C)c(C=O)c1C 69906286 572157951 /nfs/dbraw/zinc/15/79/51/572157951.db2.gz UZRASEXQAWUDBX-ZETCQYMHSA-N 0 0 196.250 1.520 10 0 ADAERN CC(=O)[C@](C)(O)C1=CCCCC1 35326204 572157953 /nfs/dbraw/zinc/15/79/53/572157953.db2.gz UUHPDADIATTZKN-JTQLQIEISA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ccc([C@](C)(O)[C@H](C)O)s1 35323874 572157959 /nfs/dbraw/zinc/15/79/59/572157959.db2.gz WAXGUYUFYRGOHV-IONNQARKSA-N 0 0 186.276 1.645 10 0 ADAERN C[C@H]1CCC[C@]([NH3+])(CC(=O)[O-])[C@@H]1C 82862534 572157967 /nfs/dbraw/zinc/15/79/67/572157967.db2.gz XSVOPQOYEIHWPA-XKSSXDPKSA-N 0 0 185.267 1.615 10 0 ADAERN CCSCCN[S@@](=O)CC 687788553 572157983 /nfs/dbraw/zinc/15/79/83/572157983.db2.gz GZQMJZNYXNZDLR-JTQLQIEISA-N 0 0 181.326 1.013 10 0 ADAERN C[C@@H](COc1ccc(F)cc1)NN 71499531 572157993 /nfs/dbraw/zinc/15/79/93/572157993.db2.gz HMBNFJURAWSNCE-ZETCQYMHSA-N 0 0 184.214 1.056 10 0 ADAERN CCSCCN[S@](=O)CC 687788554 572158016 /nfs/dbraw/zinc/15/80/16/572158016.db2.gz GZQMJZNYXNZDLR-SNVBAGLBSA-N 0 0 181.326 1.013 10 0 ADAERN COC[C@H](C)[C@@H](O)Cc1ccncc1 69904716 572158103 /nfs/dbraw/zinc/15/81/03/572158103.db2.gz FAFKKWJJLMVXFX-ONGXEEELSA-N 0 0 195.262 1.268 10 0 ADAERN Cc1cnc2c(n1)CCC2 18531805 572158104 /nfs/dbraw/zinc/15/81/04/572158104.db2.gz IMZGQUVGVWTFFY-UHFFFAOYSA-N 0 0 134.182 1.274 10 0 endogenous,in-man ADAERN C[C@@H](O)[C@](C)(O)c1ccsc1 35324559 572158159 /nfs/dbraw/zinc/15/81/59/572158159.db2.gz SIFAPOKWIQNEIZ-SVRRBLITSA-N 0 0 172.249 1.336 10 0 ADAERN CC[C@@H]1C[C@@H]1NCc1nonc1C 300390995 572158166 /nfs/dbraw/zinc/15/81/66/572158166.db2.gz VCYJLLRJGGZFDC-SFYZADRCSA-N 0 0 181.239 1.266 10 0 ADAERN CC[C@@H](O)c1cnn([C@H](C)COC)c1 69906367 572158175 /nfs/dbraw/zinc/15/81/75/572158175.db2.gz NRNFLAILFDUHMV-PSASIEDQSA-N 0 0 198.266 1.534 10 0 ADAERN COC(=O)[C@H]1CCC[N@@H+]1C(C)(C)C 146361518 572158184 /nfs/dbraw/zinc/15/81/84/572158184.db2.gz GNLXHDANEVEAMC-MRVPVSSYSA-N 0 0 185.267 1.422 10 0 ADAERN C[C@H](COc1ccccc1F)NN 71499519 572158188 /nfs/dbraw/zinc/15/81/88/572158188.db2.gz AOZPSDDDIULPOK-SSDOTTSWSA-N 0 0 184.214 1.056 10 0 ADAERN CC[C@@H]1C[C@H]1[NH2+][C@H](C)CCC(=O)[O-] 300391585 572158196 /nfs/dbraw/zinc/15/81/96/572158196.db2.gz VWHIINYGXYPCAA-IWSPIJDZSA-N 0 0 185.267 1.628 10 0 ADAERN CCC(=O)c1cnn([C@H](C)COC)c1 69906291 572158212 /nfs/dbraw/zinc/15/82/12/572158212.db2.gz JBUDBEGFHUEXOM-MRVPVSSYSA-N 0 0 196.250 1.683 10 0 ADAERN CC(=O)[C@](C)(O)c1cccc(F)c1 35324243 572158249 /nfs/dbraw/zinc/15/82/49/572158249.db2.gz MFYIQHCMFMFPIB-JTQLQIEISA-N 0 0 182.194 1.622 10 0 ADAERN CC(=O)[C@@](C)(O)c1ccccc1F 35324240 572158304 /nfs/dbraw/zinc/15/83/04/572158304.db2.gz ISZGCUFGQFWINF-SNVBAGLBSA-N 0 0 182.194 1.622 10 0 ADAERN C[C@H]1CC[C@H](C)[C@H](S(N)(=O)=O)C1 82861977 572158325 /nfs/dbraw/zinc/15/83/25/572158325.db2.gz RDDNQSSQPIYXJA-BIIVOSGPSA-N 0 0 191.296 1.100 10 0 ADAERN CC(=O)[C@](C)(O)c1cccs1 35324568 572158356 /nfs/dbraw/zinc/15/83/56/572158356.db2.gz IOTNIYGSJPEMKQ-QMMMGPOBSA-N 0 0 170.233 1.545 10 0 ADAERN CC(=O)[C@@](C)(O)c1ccsc1 35324605 572158380 /nfs/dbraw/zinc/15/83/80/572158380.db2.gz WFPGREYCKPFXHB-MRVPVSSYSA-N 0 0 170.233 1.545 10 0 ADAERN COC[C@H](C)n1cc([C@H](C)O)cn1 69906362 572158390 /nfs/dbraw/zinc/15/83/90/572158390.db2.gz LATKWCSPYUPJKO-YUMQZZPRSA-N 0 0 184.239 1.144 10 0 ADAERN CC(=O)[C@@](C)(O)c1cccc(C)c1 35324352 572158413 /nfs/dbraw/zinc/15/84/13/572158413.db2.gz OBHZDCUKFDNPBY-LLVKDONJSA-N 0 0 178.231 1.792 10 0 ADAERN CC[S@](=O)N1CC(C)(C)C1 687787621 572158443 /nfs/dbraw/zinc/15/84/43/572158443.db2.gz NVQJNBHBOJDGAG-JTQLQIEISA-N 0 0 161.270 1.012 10 0 ADAERN CC[C@H](C)NC(=O)[C@H]1CCO[C@H]1CC 300391755 572158456 /nfs/dbraw/zinc/15/84/56/572158456.db2.gz YAWBZLMTFWNMRL-GUBZILKMSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H]1C(=O)[O-] 300391221 572159192 /nfs/dbraw/zinc/15/91/92/572159192.db2.gz VFJDJYUJLQUTMH-HXFLIBJXSA-N 0 0 183.251 1.238 10 0 ADAERN CC[C@@H]1OCC[C@@H]1[C@H](O)CC1CC1 300391761 572158534 /nfs/dbraw/zinc/15/85/34/572158534.db2.gz YBSBFDWAFGXUGM-MXWKQRLJSA-N 0 0 184.279 1.963 10 0 ADAERN CC[S@](=O)N(C)C1CCC1 687787570 572158556 /nfs/dbraw/zinc/15/85/56/572158556.db2.gz HRNSYVNKIHCFPD-JTQLQIEISA-N 0 0 161.270 1.154 10 0 ADAERN COC[C@H](C)n1cc([C@@H](C)O)cn1 69906360 572158560 /nfs/dbraw/zinc/15/85/60/572158560.db2.gz LATKWCSPYUPJKO-JGVFFNPUSA-N 0 0 184.239 1.144 10 0 ADAERN COC[C@H](C)n1nc(C)c(CO)c1C 69906348 572158574 /nfs/dbraw/zinc/15/85/74/572158574.db2.gz SHLJEVLRKRCHKX-ZETCQYMHSA-N 0 0 198.266 1.200 10 0 ADAERN CN(N)CCOc1ccc(F)cc1 71499537 572158595 /nfs/dbraw/zinc/15/85/95/572158595.db2.gz KJIOEQMGUUSXGO-UHFFFAOYSA-N 0 0 184.214 1.010 10 0 ADAERN CC(=O)[C@@](C)(O)c1cccc(F)c1 35324245 572158596 /nfs/dbraw/zinc/15/85/96/572158596.db2.gz MFYIQHCMFMFPIB-SNVBAGLBSA-N 0 0 182.194 1.622 10 0 ADAERN Cc1cc(C=O)cc(CO)c1O 35325333 572158616 /nfs/dbraw/zinc/15/86/16/572158616.db2.gz WBSUGLVSOKUVFY-UHFFFAOYSA-N 0 0 166.176 1.005 10 0 ADAERN COCC[C@H](O)c1cc(C)cnc1N 69942943 572160408 /nfs/dbraw/zinc/16/04/08/572160408.db2.gz KMCGPLCRXAGWNK-VIFPVBQESA-N 0 0 196.250 1.042 10 0 ADAERN CCCOC[C@@H](O)[C@H](C)COC 69904670 572158643 /nfs/dbraw/zinc/15/86/43/572158643.db2.gz HSTJEGYGANBGAK-RKDXNWHRSA-N 0 0 176.256 1.056 10 0 ADAERN OCC1(NCC(F)(F)F)CCC1 82863388 572158656 /nfs/dbraw/zinc/15/86/56/572158656.db2.gz UXJVOZKVLAQWPN-UHFFFAOYSA-N 0 0 183.173 1.053 10 0 ADAERN COCCOCc1ccc(F)cc1N 82864645 572158658 /nfs/dbraw/zinc/15/86/58/572158658.db2.gz NSAJHOKQHVFEMX-UHFFFAOYSA-N 0 0 199.225 1.571 10 0 ADAERN CN(N)CCOc1cccc(F)c1 71499529 572158702 /nfs/dbraw/zinc/15/87/02/572158702.db2.gz QDNBDRUORANYPR-UHFFFAOYSA-N 0 0 184.214 1.010 10 0 ADAERN COC(=N)COc1ccc(F)cc1 71499274 572158712 /nfs/dbraw/zinc/15/87/12/572158712.db2.gz SXQUHBKIMFVWPC-UHFFFAOYSA-N 0 0 183.182 1.828 10 0 ADAERN CCCCCN[S@@](=O)CC 687788551 572158739 /nfs/dbraw/zinc/15/87/39/572158739.db2.gz GTEWDBMRNPHEBH-JTQLQIEISA-N 0 0 163.286 1.450 10 0 ADAERN CC(C)CCc1nc(C=O)c[nH]1 69906758 572158770 /nfs/dbraw/zinc/15/87/70/572158770.db2.gz KRCGKHJRAFSOHT-UHFFFAOYSA-N 0 0 166.224 1.811 10 0 ADAERN C[C@H](CNN)Oc1ccccc1F 71499521 572158823 /nfs/dbraw/zinc/15/88/23/572158823.db2.gz PDTYWKGJZYCXJO-SSDOTTSWSA-N 0 0 184.214 1.056 10 0 ADAERN CC(=O)[C@](C)(O)c1ccsc1 35324602 572158875 /nfs/dbraw/zinc/15/88/75/572158875.db2.gz WFPGREYCKPFXHB-QMMMGPOBSA-N 0 0 170.233 1.545 10 0 ADAERN COc1ccccc1[C@@H]1NC[C@@H](C)O1 71506274 572160438 /nfs/dbraw/zinc/16/04/38/572160438.db2.gz IGTUOBRBSPFAFH-LDYMZIIASA-N 0 0 193.246 1.702 10 0 ADAERN O=Cc1cc2c(o1)CCC2 18491433 572158898 /nfs/dbraw/zinc/15/88/98/572158898.db2.gz FNMNBPVECXCION-UHFFFAOYSA-N 0 0 136.150 1.581 10 0 ADAERN CCS(=O)(=O)Cc1ccccc1N 35320239 572158899 /nfs/dbraw/zinc/15/88/99/572158899.db2.gz MBLMHAXWMSOVGV-UHFFFAOYSA-N 0 0 199.275 1.204 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+]C[C@@H](C)C(=O)[O-] 300391230 572158926 /nfs/dbraw/zinc/15/89/26/572158926.db2.gz VGNZTCKQJACXNZ-PRJMDXOYSA-N 0 0 171.240 1.095 10 0 ADAERN CC(=O)[C@@]1(O)CCc2ccccc21 35323321 572158928 /nfs/dbraw/zinc/15/89/28/572158928.db2.gz IYOKXRGBXLKHGO-NSHDSACASA-N 0 0 176.215 1.409 10 0 ADAERN CC[C@H](O)c1cnn([C@@H](C)COC)c1 69906364 572158943 /nfs/dbraw/zinc/15/89/43/572158943.db2.gz NRNFLAILFDUHMV-WPRPVWTQSA-N 0 0 198.266 1.534 10 0 ADAERN CCC[C@@H]1C[C@@H]1N[C@@H](C)C(=O)OCC 300391539 572158958 /nfs/dbraw/zinc/15/89/58/572158958.db2.gz VRAARRRRFFUBSM-AEJSXWLSSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)n1ccc(CC[C@@H](C)O)n1 82866915 572160568 /nfs/dbraw/zinc/16/05/68/572160568.db2.gz UHDNMNAIOYUBNT-SECBINFHSA-N 0 0 182.267 1.777 10 0 ADAERN Cc1csc([C@@](C)(O)[C@H](C)O)c1 35323888 572158997 /nfs/dbraw/zinc/15/89/97/572158997.db2.gz MUQDRXRSTVTQGF-CBAPKCEASA-N 0 0 186.276 1.645 10 0 ADAERN O=C1CC[C@H]2C=CC[C@@H]2C1 18533891 572159000 /nfs/dbraw/zinc/15/90/00/572159000.db2.gz NGDUXHPFTFUXEE-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@@H](CNN)Oc1ccc(F)cc1 71499534 572159124 /nfs/dbraw/zinc/15/91/24/572159124.db2.gz USPYTXYVOFBEGR-ZETCQYMHSA-N 0 0 184.214 1.056 10 0 ADAERN C[C@H]1CCC[C@]2(CC(=O)N2)[C@@H]1C 82862518 572159127 /nfs/dbraw/zinc/15/91/27/572159127.db2.gz FIYLJHZVRCVUPT-XKSSXDPKSA-N 0 0 167.252 1.701 10 0 ADAERN CCc1cc2n(c1)CCC2 18482058 572159129 /nfs/dbraw/zinc/15/91/29/572159129.db2.gz HTEXWMKNBZPUHW-UHFFFAOYSA-N 0 0 135.210 1.997 10 0 ADAERN O[C@H]1C=C2CCC[C@@H]2CC1 18511260 572159181 /nfs/dbraw/zinc/15/91/81/572159181.db2.gz KJXSSMLQTCGARK-VXNVDRBHSA-N 0 0 138.210 1.868 10 0 ADAERN COC(=N)COc1cccc(F)c1 71499273 572159203 /nfs/dbraw/zinc/15/92/03/572159203.db2.gz XQEFHGLMPOMHFW-UHFFFAOYSA-N 0 0 183.182 1.828 10 0 ADAERN CC(C)c1ccc(CC(=O)CO)cc1 71506093 572159219 /nfs/dbraw/zinc/15/92/19/572159219.db2.gz QHQHHVFZGJFFDY-UHFFFAOYSA-N 0 0 192.258 1.914 10 0 ADAERN O=C1CO[C@@H]2CCC[C@@H]2C1 18505330 572159242 /nfs/dbraw/zinc/15/92/42/572159242.db2.gz HBHZNKCDYFEHFX-HTRCEHHLSA-N 0 0 140.182 1.145 10 0 ADAERN O=C1CC[C@@H]2C=CC[C@H]2C1 18533895 572159244 /nfs/dbraw/zinc/15/92/44/572159244.db2.gz NGDUXHPFTFUXEE-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@H]1CCC[C@@](C(=O)[O-])([NH+](C)C)[C@@H]1C 82861617 572159268 /nfs/dbraw/zinc/15/92/68/572159268.db2.gz RNKLXINBBFUSDS-IQJOONFLSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H]1C[C@H]1[NH2+]C[C@H](C)C(=O)[O-] 300391232 572159308 /nfs/dbraw/zinc/15/93/08/572159308.db2.gz VGNZTCKQJACXNZ-XLPZGREQSA-N 0 0 171.240 1.095 10 0 ADAERN CC[C@@H]1OCC[C@@H]1[C@@H](NN)C1CCC1 300391450 572159317 /nfs/dbraw/zinc/15/93/17/572159317.db2.gz XRBDVOMITANETJ-DCAQKATOSA-N 0 0 198.310 1.434 10 0 ADAERN C[C@H]1CCC[C@@]2(CC(=O)N2)[C@@H]1C 82862520 572159321 /nfs/dbraw/zinc/15/93/21/572159321.db2.gz FIYLJHZVRCVUPT-QXFUBDJGSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1CCC[C@@]([NH3+])(CC(=O)[O-])[C@@H]1C 82862536 572159329 /nfs/dbraw/zinc/15/93/29/572159329.db2.gz XSVOPQOYEIHWPA-QXFUBDJGSA-N 0 0 185.267 1.615 10 0 ADAERN O=C1CC[C@@H]2C=CO[C@@H]2C1 18534709 572159340 /nfs/dbraw/zinc/15/93/40/572159340.db2.gz AYHFYZJLSXKHHS-HTRCEHHLSA-N 0 0 138.166 1.268 10 0 ADAERN Cc1ccc2ocnc2n1 18551834 572159348 /nfs/dbraw/zinc/15/93/48/572159348.db2.gz DJRNYIVWJPATBR-UHFFFAOYSA-N 0 0 134.138 1.531 10 0 ADAERN O[C@@H]1CC[C@@H]2CC=C[C@@H]2C1 18544690 572159441 /nfs/dbraw/zinc/15/94/41/572159441.db2.gz OXYJCYWOPPRFDS-DJLDLDEBSA-N 0 0 138.210 1.724 10 0 ADAERN CC[C@H](C)C(=O)Cc1ccnc(N)c1 69942071 572159473 /nfs/dbraw/zinc/15/94/73/572159473.db2.gz YZJVLFBWSMDVFQ-QMMMGPOBSA-N 0 0 192.262 1.822 10 0 ADAERN CCC[C@@H]1C[C@@H]1N[C@H](C)C(=O)OCC 300391540 572159494 /nfs/dbraw/zinc/15/94/94/572159494.db2.gz VRAARRRRFFUBSM-BBBLOLIVSA-N 0 0 199.294 1.716 10 0 ADAERN CCC[C@H](O)Cc1ccnc(N)c1 69941933 572160459 /nfs/dbraw/zinc/16/04/59/572160459.db2.gz SRHQEICLTBPHGP-VIFPVBQESA-N 0 0 180.251 1.367 10 0 ADAERN OCC[C@@]12CCCCC[C@H]1O2 35332014 572159552 /nfs/dbraw/zinc/15/95/52/572159552.db2.gz UWJSHADZECYILQ-BDAKNGLRSA-N 0 0 156.225 1.471 10 0 ADAERN CC(C)n1ccc(CC[C@H](C)O)n1 82866916 572159555 /nfs/dbraw/zinc/15/95/55/572159555.db2.gz UHDNMNAIOYUBNT-VIFPVBQESA-N 0 0 182.267 1.777 10 0 ADAERN CC[C@@H](C)C(=O)Cc1ccnc(N)c1 69942070 572159560 /nfs/dbraw/zinc/15/95/60/572159560.db2.gz YZJVLFBWSMDVFQ-MRVPVSSYSA-N 0 0 192.262 1.822 10 0 ADAERN Fc1cnc2c(c1)NCC2 18532190 572159617 /nfs/dbraw/zinc/15/96/17/572159617.db2.gz YAGKFCHKBUNKRN-UHFFFAOYSA-N 0 0 138.145 1.189 10 0 ADAERN COc1ccccc1[C@@H]1N[C@H](C)CO1 71506276 572159632 /nfs/dbraw/zinc/15/96/32/572159632.db2.gz WKDINDBWJOOYRL-LDYMZIIASA-N 0 0 193.246 1.702 10 0 ADAERN Cc1nc(CNC[C@H](C)C2CC2)no1 235155812 572159636 /nfs/dbraw/zinc/15/96/36/572159636.db2.gz OYWGWIBNEJAFNU-ZETCQYMHSA-N 0 0 195.266 1.514 10 0 ADAERN Cc1cnc2[nH]cnc2c1 18544359 572159648 /nfs/dbraw/zinc/15/96/48/572159648.db2.gz WWLVCLBPTIGNLA-UHFFFAOYSA-N 0 0 133.154 1.266 10 0 ADAERN CCC[C@@H]1C[C@H]1N[C@H](C)C(=O)OCC 300391541 572159687 /nfs/dbraw/zinc/15/96/87/572159687.db2.gz VRAARRRRFFUBSM-OPRDCNLKSA-N 0 0 199.294 1.716 10 0 ADAERN COCC(=O)Cc1ccn(C(C)C)n1 82866775 572159724 /nfs/dbraw/zinc/15/97/24/572159724.db2.gz FLXQRNLOMPKXKT-UHFFFAOYSA-N 0 0 196.250 1.222 10 0 ADAERN COC(=O)CCn1ccc(C2CC2)n1 82877742 572159727 /nfs/dbraw/zinc/15/97/27/572159727.db2.gz BHWSIQPUXQYQNO-UHFFFAOYSA-N 0 0 194.234 1.324 10 0 ADAERN CC[C@H](C)[C@@H](O)Cc1ccnc(N)c1 69941904 572160021 /nfs/dbraw/zinc/16/00/21/572160021.db2.gz NOVXABUIEXVHKV-WPRPVWTQSA-N 0 0 194.278 1.613 10 0 ADAERN O=C1CC[C@H]2C=CO[C@H]2C1 18534721 572159743 /nfs/dbraw/zinc/15/97/43/572159743.db2.gz AYHFYZJLSXKHHS-XPUUQOCRSA-N 0 0 138.166 1.268 10 0 ADAERN CC[C@@H]1OCC[C@@H]1[C@H](NN)C1CCC1 300391451 572159749 /nfs/dbraw/zinc/15/97/49/572159749.db2.gz XRBDVOMITANETJ-GARJFASQSA-N 0 0 198.310 1.434 10 0 ADAERN CC(C)C[C@@H](O)Cc1ccnc(N)c1 69941939 572159757 /nfs/dbraw/zinc/15/97/57/572159757.db2.gz NPHOUNYAPUGIJE-SNVBAGLBSA-N 0 0 194.278 1.613 10 0 ADAERN C[C@H]1COC(=O)CCCCC1=O 35328710 572159769 /nfs/dbraw/zinc/15/97/69/572159769.db2.gz JPANLVAWQXNWHU-ZETCQYMHSA-N 0 0 170.208 1.309 10 0 ADAERN O=Cc1cc2oncc2o1 18493182 572159785 /nfs/dbraw/zinc/15/97/85/572159785.db2.gz IGXHZGBXWPWBTK-UHFFFAOYSA-N 0 0 137.094 1.233 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+][C@H](C)CCC(=O)[O-] 300391584 572159794 /nfs/dbraw/zinc/15/97/94/572159794.db2.gz VWHIINYGXYPCAA-HLTSFMKQSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@H](CO)[C@@]12CCCCC[C@@H]1O2 35332025 572159818 /nfs/dbraw/zinc/15/98/18/572159818.db2.gz PFUDKLUCFUDGHH-UTLUCORTSA-N 0 0 170.252 1.717 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+]C/C=C(/C)C(=O)[O-] 300390258 572159840 /nfs/dbraw/zinc/15/98/40/572159840.db2.gz TYNFLPMPAODUKJ-ZLQFYDKZSA-N 0 0 197.278 1.796 10 0 ADAERN CC[C@H](C)n1ccc(C[C@@H](C)O)n1 82876404 572159851 /nfs/dbraw/zinc/15/98/51/572159851.db2.gz AEAYQSYZIRILRY-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN O=Cc1cc2occc2[nH]1 18493122 572159900 /nfs/dbraw/zinc/15/99/00/572159900.db2.gz GFRMPDWYIDTDLM-UHFFFAOYSA-N 0 0 135.122 1.573 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+]C[C@H](C)C(=O)[O-] 300391231 572159903 /nfs/dbraw/zinc/15/99/03/572159903.db2.gz VGNZTCKQJACXNZ-RNJXMRFFSA-N 0 0 171.240 1.095 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]1C(=O)[O-] 300391220 572159909 /nfs/dbraw/zinc/15/99/09/572159909.db2.gz VFJDJYUJLQUTMH-BGZDPUMWSA-N 0 0 183.251 1.238 10 0 ADAERN OCC[C@]12CCCCC[C@@H]1O2 35332010 572159971 /nfs/dbraw/zinc/15/99/71/572159971.db2.gz UWJSHADZECYILQ-DTWKUNHWSA-N 0 0 156.225 1.471 10 0 ADAERN OCC[C@]12CCCCC[C@H]1O2 35332006 572159988 /nfs/dbraw/zinc/15/99/88/572159988.db2.gz UWJSHADZECYILQ-RKDXNWHRSA-N 0 0 156.225 1.471 10 0 ADAERN CCCC[C@@H](O)Cc1ccnc(N)c1 69941961 572160001 /nfs/dbraw/zinc/16/00/01/572160001.db2.gz SNZQFIMMEXNYCW-SNVBAGLBSA-N 0 0 194.278 1.757 10 0 ADAERN CCCC(=O)Cc1ccnc(N)c1 69942036 572160009 /nfs/dbraw/zinc/16/00/09/572160009.db2.gz BIOBUMIENBGCQP-UHFFFAOYSA-N 0 0 178.235 1.576 10 0 ADAERN COc1ccccc1[C@H]1NC[C@H](C)O1 71506273 572160470 /nfs/dbraw/zinc/16/04/70/572160470.db2.gz IGTUOBRBSPFAFH-KWQFWETISA-N 0 0 193.246 1.702 10 0 ADAERN O=C1CO[C@H]2CCC[C@H]2C1 18505336 572160471 /nfs/dbraw/zinc/16/04/71/572160471.db2.gz HBHZNKCDYFEHFX-XPUUQOCRSA-N 0 0 140.182 1.145 10 0 ADAERN CCCCC[C@H](O)c1cnnn1CC 300958953 572160028 /nfs/dbraw/zinc/16/00/28/572160028.db2.gz YEYDCDCENFTUQD-JTQLQIEISA-N 0 0 197.282 1.912 10 0 ADAERN CN(C)c1ccc(N)c2ncccc12 35340450 572160041 /nfs/dbraw/zinc/16/00/41/572160041.db2.gz SXMZFBMWJZPJDW-UHFFFAOYSA-N 0 0 187.246 1.883 10 0 ADAERN O=Cc1cc2[nH]ccc2o1 18493167 572160043 /nfs/dbraw/zinc/16/00/43/572160043.db2.gz CZCKITQYTNYJLG-UHFFFAOYSA-N 0 0 135.122 1.573 10 0 ADAERN CC[C@@H](C)[C@@H](O)Cc1ccnc(N)c1 69941902 572160047 /nfs/dbraw/zinc/16/00/47/572160047.db2.gz NOVXABUIEXVHKV-SCZZXKLOSA-N 0 0 194.278 1.613 10 0 ADAERN COCCC(=O)c1cc(C)cnc1N 69942916 572160051 /nfs/dbraw/zinc/16/00/51/572160051.db2.gz DQGNZYGRHHWCMP-UHFFFAOYSA-N 0 0 194.234 1.191 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)CC[C@H](C)O 300388523 572160082 /nfs/dbraw/zinc/16/00/82/572160082.db2.gz QTOZAAWVPYVPBV-YIZRAAEISA-N 0 0 185.267 1.062 10 0 ADAERN CC[C@H](O)Cc1ccn(C(C)C)n1 82866712 572160684 /nfs/dbraw/zinc/16/06/84/572160684.db2.gz ZZSUTSJYDKMZRH-JTQLQIEISA-N 0 0 182.267 1.777 10 0 ADAERN COc1ccccc1[C@H]1N[C@H](C)CO1 71506278 572160097 /nfs/dbraw/zinc/16/00/97/572160097.db2.gz WKDINDBWJOOYRL-KCJUWKMLSA-N 0 0 193.246 1.702 10 0 ADAERN C[C@H](CO)[C@]12CCCCC[C@@H]1O2 35332032 572160113 /nfs/dbraw/zinc/16/01/13/572160113.db2.gz PFUDKLUCFUDGHH-KXUCPTDWSA-N 0 0 170.252 1.717 10 0 ADAERN O=Cc1cc2c([nH]1)CCC2 18491294 572160115 /nfs/dbraw/zinc/16/01/15/572160115.db2.gz XZVOCLREZAXCTA-UHFFFAOYSA-N 0 0 135.166 1.316 10 0 ADAERN CC[C@@H](C)n1ccc(CCCO)n1 82877332 572160118 /nfs/dbraw/zinc/16/01/18/572160118.db2.gz WACCXKMLUCJRKV-SECBINFHSA-N 0 0 182.267 1.779 10 0 ADAERN COc1ccccc1[C@@H]1NC[C@H](C)O1 71506275 572160129 /nfs/dbraw/zinc/16/01/29/572160129.db2.gz IGTUOBRBSPFAFH-GZMMTYOYSA-N 0 0 193.246 1.702 10 0 ADAERN CC[C@H](CN1C(=O)[C@H]2CCC[C@@H]21)OC 687822145 572160154 /nfs/dbraw/zinc/16/01/54/572160154.db2.gz LPGHMWPKDDTUQX-UTLUCORTSA-N 0 0 197.278 1.422 10 0 ADAERN CCOc1ccc(C(=O)CN)cc1C 71506331 572160158 /nfs/dbraw/zinc/16/01/58/572160158.db2.gz ULRXSURVWORIQL-UHFFFAOYSA-N 0 0 193.246 1.535 10 0 ADAERN O=C1CC[C@@H]2C=CC[C@@H]2C1 18533888 572160169 /nfs/dbraw/zinc/16/01/69/572160169.db2.gz NGDUXHPFTFUXEE-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN CCC(=O)Cc1ccn(C(C)C)n1 82866767 572160269 /nfs/dbraw/zinc/16/02/69/572160269.db2.gz NVYKBCNCVULWDX-UHFFFAOYSA-N 0 0 180.251 1.986 10 0 ADAERN OCC[C@@]12CCCCC[C@@H]1O2 35332018 572160245 /nfs/dbraw/zinc/16/02/45/572160245.db2.gz UWJSHADZECYILQ-IUCAKERBSA-N 0 0 156.225 1.471 10 0 ADAERN O=C1CC[C@H]2CC=C[C@H]2C1 18545585 572160281 /nfs/dbraw/zinc/16/02/81/572160281.db2.gz ICDLWKSRXPSQKP-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN Nc1cnc2ccoc2c1 18544469 572160320 /nfs/dbraw/zinc/16/03/20/572160320.db2.gz IPUVYFWISQGDNW-UHFFFAOYSA-N 0 0 134.138 1.410 10 0 ADAERN O=C1CC[C@@H]2C=CO[C@H]2C1 18534717 572160414 /nfs/dbraw/zinc/16/04/14/572160414.db2.gz AYHFYZJLSXKHHS-SVRRBLITSA-N 0 0 138.166 1.268 10 0 ADAERN CC[C@@H]1OCC[C@H]1[C@H](NN)C1CCC1 300391452 572160420 /nfs/dbraw/zinc/16/04/20/572160420.db2.gz XRBDVOMITANETJ-OUAUKWLOSA-N 0 0 198.310 1.434 10 0 ADAERN O=C1CC[C@H]2C=CO[C@@H]2C1 18534713 572160423 /nfs/dbraw/zinc/16/04/23/572160423.db2.gz AYHFYZJLSXKHHS-POYBYMJQSA-N 0 0 138.166 1.268 10 0 ADAERN CC[C@@H](CN1C(=O)CC12CCC2)OC 687822147 572160427 /nfs/dbraw/zinc/16/04/27/572160427.db2.gz MEGCOBHUOIJCJK-VIFPVBQESA-N 0 0 197.278 1.566 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)CC[C@H](C)O 300388521 572160507 /nfs/dbraw/zinc/16/05/07/572160507.db2.gz QTOZAAWVPYVPBV-DJLDLDEBSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)C[C@H](O)Cc1ccnc(N)c1 69941938 572160527 /nfs/dbraw/zinc/16/05/27/572160527.db2.gz NPHOUNYAPUGIJE-JTQLQIEISA-N 0 0 194.278 1.613 10 0 ADAERN O=C1CO[C@@H]2CCC[C@H]2C1 18505334 572160538 /nfs/dbraw/zinc/16/05/38/572160538.db2.gz HBHZNKCDYFEHFX-POYBYMJQSA-N 0 0 140.182 1.145 10 0 ADAERN O=C1CC[C@@H]2CC=C[C@@H]2C1 18545576 572160546 /nfs/dbraw/zinc/16/05/46/572160546.db2.gz ICDLWKSRXPSQKP-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN CC(C)n1ccc(CCCO)n1 82867080 572160579 /nfs/dbraw/zinc/16/05/79/572160579.db2.gz CEYPJLUXUYWOGJ-UHFFFAOYSA-N 0 0 168.240 1.389 10 0 ADAERN COC(=O)[C@H](C)n1ccc(C2CC2)n1 82877762 572160594 /nfs/dbraw/zinc/16/05/94/572160594.db2.gz BVTHTEIMGZEVRC-ZETCQYMHSA-N 0 0 194.234 1.495 10 0 ADAERN Cc1ccc2ncoc2n1 18544598 572160611 /nfs/dbraw/zinc/16/06/11/572160611.db2.gz ZITKSQTZHDNQQH-UHFFFAOYSA-N 0 0 134.138 1.531 10 0 ADAERN CCC(CC)n1ccc(CCO)n1 82876468 572160612 /nfs/dbraw/zinc/16/06/12/572160612.db2.gz PBRYKPBPSZEFOW-UHFFFAOYSA-N 0 0 182.267 1.779 10 0 ADAERN COCC[C@@H](O)c1c(C)ccnc1N 69942102 572160627 /nfs/dbraw/zinc/16/06/27/572160627.db2.gz NQERJLVNNYPJKP-MRVPVSSYSA-N 0 0 196.250 1.042 10 0 ADAERN CC[C@@H](C)n1ccc(C[C@H](C)O)n1 82876406 572160635 /nfs/dbraw/zinc/16/06/35/572160635.db2.gz AEAYQSYZIRILRY-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+]C/C(C)=C/C(=O)[O-] 300390594 572160659 /nfs/dbraw/zinc/16/06/59/572160659.db2.gz UQSMDBBQWDGWJS-URNYOCNJSA-N 0 0 197.278 1.796 10 0 ADAERN COCC[C@H](O)c1c(C)ccnc1N 69942103 572160663 /nfs/dbraw/zinc/16/06/63/572160663.db2.gz NQERJLVNNYPJKP-QMMMGPOBSA-N 0 0 196.250 1.042 10 0 ADAERN CCc1cc(C(=O)CN)ccc1OC 71506329 572160666 /nfs/dbraw/zinc/16/06/66/572160666.db2.gz YQLTYOURBLGIAF-UHFFFAOYSA-N 0 0 193.246 1.399 10 0 ADAERN O=C1CC[C@H]2C=CC[C@H]2C1 18533899 572160686 /nfs/dbraw/zinc/16/06/86/572160686.db2.gz NGDUXHPFTFUXEE-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@@H]1OCC[C@H]1[C@H](O)CC1CC1 300391760 572160693 /nfs/dbraw/zinc/16/06/93/572160693.db2.gz YBSBFDWAFGXUGM-AXFHLTTASA-N 0 0 184.279 1.963 10 0 ADAERN COC(=O)[C@@H](C)n1ccc(C2CC2)n1 82877763 572160744 /nfs/dbraw/zinc/16/07/44/572160744.db2.gz BVTHTEIMGZEVRC-SSDOTTSWSA-N 0 0 194.234 1.495 10 0 ADAERN CCC(O)(CC)Cc1ccnc(N)c1 69941724 572160755 /nfs/dbraw/zinc/16/07/55/572160755.db2.gz GGUJBVYMDBPCHL-UHFFFAOYSA-N 0 0 194.278 1.757 10 0 ADAERN O=C1CO[C@H]2CCC[C@@H]2C1 18505332 572160758 /nfs/dbraw/zinc/16/07/58/572160758.db2.gz HBHZNKCDYFEHFX-SVRRBLITSA-N 0 0 140.182 1.145 10 0 ADAERN O=C1CC[C@@H]2CC=C[C@H]2C1 18545582 572160781 /nfs/dbraw/zinc/16/07/81/572160781.db2.gz ICDLWKSRXPSQKP-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@H](C)n1ccc(CCO)n1 82876465 572160840 /nfs/dbraw/zinc/16/08/40/572160840.db2.gz DVRCXGQCJZGCSV-QMMMGPOBSA-N 0 0 168.240 1.389 10 0 ADAERN CC[C@H](C)n1ccc(CC(N)=S)n1 82867482 572160849 /nfs/dbraw/zinc/16/08/49/572160849.db2.gz MJDYVXCZIUSQBM-ZETCQYMHSA-N 0 0 197.307 1.683 10 0 ADAERN CCCC[C@H](O)Cc1ccnc(N)c1 69941960 572160862 /nfs/dbraw/zinc/16/08/62/572160862.db2.gz SNZQFIMMEXNYCW-JTQLQIEISA-N 0 0 194.278 1.757 10 0 ADAERN CC[C@H](CN1C(=O)CC12CCC2)OC 687822146 572160896 /nfs/dbraw/zinc/16/08/96/572160896.db2.gz MEGCOBHUOIJCJK-SECBINFHSA-N 0 0 197.278 1.566 10 0 ADAERN CC(C)(C)CCc1nnc(CN)s1 300958997 572160944 /nfs/dbraw/zinc/16/09/44/572160944.db2.gz YFSDLWLEBNXGRT-UHFFFAOYSA-N 0 0 199.323 1.976 10 0 ADAERN CCCCC[C@@H](O)c1cnnn1CC 300958955 572160953 /nfs/dbraw/zinc/16/09/53/572160953.db2.gz YEYDCDCENFTUQD-SNVBAGLBSA-N 0 0 197.282 1.912 10 0 ADAERN COC[C@@H](O)Cc1ccn(C(C)C)n1 82866792 572160963 /nfs/dbraw/zinc/16/09/63/572160963.db2.gz DTGDVGTYIKAHNT-JTQLQIEISA-N 0 0 198.266 1.014 10 0 ADAERN O=C1CC[C@H]2CC=C[C@@H]2C1 18545579 572161079 /nfs/dbraw/zinc/16/10/79/572161079.db2.gz ICDLWKSRXPSQKP-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN CCC[C@@H](O)Cc1ccnc(N)c1 69941934 572161086 /nfs/dbraw/zinc/16/10/86/572161086.db2.gz SRHQEICLTBPHGP-SECBINFHSA-N 0 0 180.251 1.367 10 0 ADAERN CC[C@@H](C)n1ccc(CC(N)=S)n1 82867481 572161102 /nfs/dbraw/zinc/16/11/02/572161102.db2.gz MJDYVXCZIUSQBM-SSDOTTSWSA-N 0 0 197.307 1.683 10 0 ADAERN OCc1cc2c(o1)CCC2 18490967 572161129 /nfs/dbraw/zinc/16/11/29/572161129.db2.gz CVQFTBUWHNKHHS-UHFFFAOYSA-N 0 0 138.166 1.261 10 0 ADAERN CC[C@H](C)n1ccc(C[C@H](C)O)n1 82876408 572161350 /nfs/dbraw/zinc/16/13/50/572161350.db2.gz AEAYQSYZIRILRY-IUCAKERBSA-N 0 0 182.267 1.777 10 0 ADAERN CCC(CC)n1ccc(CNN)n1 82867287 572161355 /nfs/dbraw/zinc/16/13/55/572161355.db2.gz KVCVJQZTWCUQNE-UHFFFAOYSA-N 0 0 182.271 1.208 10 0 ADAERN COCCC(=O)c1c(C)ccnc1N 69942050 572161389 /nfs/dbraw/zinc/16/13/89/572161389.db2.gz XPNSRVJKLBWEMQ-UHFFFAOYSA-N 0 0 194.234 1.191 10 0 ADAERN COCC[C@@H](O)c1cc(C)cnc1N 69942941 572161415 /nfs/dbraw/zinc/16/14/15/572161415.db2.gz KMCGPLCRXAGWNK-SECBINFHSA-N 0 0 196.250 1.042 10 0 ADAERN C[C@H](CO)[C@@]12CCCC[C@@H]1O2 35331993 572161427 /nfs/dbraw/zinc/16/14/27/572161427.db2.gz IAHKLWAJTIIIPZ-VGMNWLOBSA-N 0 0 156.225 1.326 10 0 ADAERN COc1ccccc1[C@@H]1N[C@@H](C)CO1 71506277 572161433 /nfs/dbraw/zinc/16/14/33/572161433.db2.gz WKDINDBWJOOYRL-GZMMTYOYSA-N 0 0 193.246 1.702 10 0 ADAERN CC[C@H](CO)[C@@]12CCCC[C@@H]1O2 35332002 572161536 /nfs/dbraw/zinc/16/15/36/572161536.db2.gz IGRUPDJGYFPCCN-UTLUCORTSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H]1COC(=O)CCCCC1=O 35328707 572161547 /nfs/dbraw/zinc/16/15/47/572161547.db2.gz JPANLVAWQXNWHU-SSDOTTSWSA-N 0 0 170.208 1.309 10 0 ADAERN O[C@@H]1CCc2cocc2C1 18560135 572161576 /nfs/dbraw/zinc/16/15/76/572161576.db2.gz RLRLVFBPMYUHSR-MRVPVSSYSA-N 0 0 138.166 1.129 10 0 ADAERN COC[C@H](O)Cc1ccn(C(C)C)n1 82866793 572161637 /nfs/dbraw/zinc/16/16/37/572161637.db2.gz DTGDVGTYIKAHNT-SNVBAGLBSA-N 0 0 198.266 1.014 10 0 ADAERN Cn1c(C=O)cnc1C1CC1 18586341 572161650 /nfs/dbraw/zinc/16/16/50/572161650.db2.gz PJTFCNKTWJRWLS-UHFFFAOYSA-N 0 0 150.181 1.110 10 0 ADAERN CC(C)n1ccc(C[C@@H](O)C2CC2)n1 82866701 572161653 /nfs/dbraw/zinc/16/16/53/572161653.db2.gz QUJGNILUTOQTJP-LLVKDONJSA-N 0 0 194.278 1.777 10 0 ADAERN COc1ccccc1[C@H]1NC[C@@H](C)O1 71506272 572161826 /nfs/dbraw/zinc/16/18/26/572161826.db2.gz IGTUOBRBSPFAFH-KCJUWKMLSA-N 0 0 193.246 1.702 10 0 ADAERN CC(C)n1ccc(CC(=O)C2CC2)n1 82866770 572161830 /nfs/dbraw/zinc/16/18/30/572161830.db2.gz UMLKPWRHMUIMGN-UHFFFAOYSA-N 0 0 192.262 1.986 10 0 ADAERN O[C@H]1CC[C@H]2CCC=C2C1 18556340 572161852 /nfs/dbraw/zinc/16/18/52/572161852.db2.gz NFEALZGVVJEMQY-APPZFPTMSA-N 0 0 138.210 1.868 10 0 ADAERN CC[C@@H](C)n1ccc(C[C@@H](C)O)n1 82876401 572161886 /nfs/dbraw/zinc/16/18/86/572161886.db2.gz AEAYQSYZIRILRY-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN CC1(C)C[C@@H]1C[NH2+][C@H]1CC[C@H]1C(=O)[O-] 300392818 572161889 /nfs/dbraw/zinc/16/18/89/572161889.db2.gz XBRXURIUXBISTI-HLTSFMKQSA-N 0 0 197.278 1.485 10 0 ADAERN CC(C)n1ccc(C[C@H](O)C2CC2)n1 82866700 572161933 /nfs/dbraw/zinc/16/19/33/572161933.db2.gz QUJGNILUTOQTJP-NSHDSACASA-N 0 0 194.278 1.777 10 0 ADAERN CC[C@H](CN1C(=O)[C@@H]2CCC[C@H]21)OC 687822144 572161974 /nfs/dbraw/zinc/16/19/74/572161974.db2.gz LPGHMWPKDDTUQX-OPRDCNLKSA-N 0 0 197.278 1.422 10 0 ADAERN CC[C@H](C)n1ccc(CCCO)n1 82877334 572162003 /nfs/dbraw/zinc/16/20/03/572162003.db2.gz WACCXKMLUCJRKV-VIFPVBQESA-N 0 0 182.267 1.779 10 0 ADAERN CCCc1nccn1[C@H](CC)C(N)=O 69964041 572162058 /nfs/dbraw/zinc/16/20/58/572162058.db2.gz BYUOUTDANBKIFF-MRVPVSSYSA-N 0 0 195.266 1.272 10 0 ADAERN CC(C)C[C@H](O)Cc1cccnc1N 69943915 572162081 /nfs/dbraw/zinc/16/20/81/572162081.db2.gz AWJQVISXHWFUSX-JTQLQIEISA-N 0 0 194.278 1.613 10 0 ADAERN CCC[C@H](NN)[C@H]1CCO[C@H]1CC 300390748 572162105 /nfs/dbraw/zinc/16/21/05/572162105.db2.gz WVCKMOQQJLKJFU-UTLUCORTSA-N 0 0 186.299 1.434 10 0 ADAERN CCC[C@H](COC)N[S@@](=O)CC 687788041 572162118 /nfs/dbraw/zinc/16/21/18/572162118.db2.gz UVYCWKPSOOQSJR-PELKAZGASA-N 0 0 193.312 1.075 10 0 ADAERN CCCc1nccn1[C@H](C)C(=O)OC 69963465 572162125 /nfs/dbraw/zinc/16/21/25/572162125.db2.gz VDRSJQBKFNASKZ-MRVPVSSYSA-N 0 0 196.250 1.570 10 0 ADAERN CCC[C@@H](COC)N[S@](=O)CC 687788043 572162137 /nfs/dbraw/zinc/16/21/37/572162137.db2.gz UVYCWKPSOOQSJR-QPUJVOFHSA-N 0 0 193.312 1.075 10 0 ADAERN O=c1cc2[nH]ccc2co1 18556166 572162141 /nfs/dbraw/zinc/16/21/41/572162141.db2.gz SKKPRWRKVOSHRX-UHFFFAOYSA-N 0 0 135.122 1.121 10 0 ADAERN O[C@@H]1CC[C@@H]2CCC=C2C1 18556337 572162180 /nfs/dbraw/zinc/16/21/80/572162180.db2.gz NFEALZGVVJEMQY-IONNQARKSA-N 0 0 138.210 1.868 10 0 ADAERN CCCc1nccn1[C@H](C)C(=O)NC 69963920 572162254 /nfs/dbraw/zinc/16/22/54/572162254.db2.gz XOXUSPBJJIVPMM-MRVPVSSYSA-N 0 0 195.266 1.143 10 0 ADAERN O=c1ccc2[nH]ccc2o1 18617187 572162280 /nfs/dbraw/zinc/16/22/80/572162280.db2.gz HPRZMLICABOZQY-UHFFFAOYSA-N 0 0 135.122 1.121 10 0 ADAERN CCn1c[nH+]c(C2CC2)c1N 18594091 572162303 /nfs/dbraw/zinc/16/23/03/572162303.db2.gz JEQCQHYKJHGNRA-UHFFFAOYSA-N 0 0 151.213 1.363 10 0 ADAERN CC(C)CC(=O)Cc1cccnc1N 69943967 572162344 /nfs/dbraw/zinc/16/23/44/572162344.db2.gz VYLDUWNJPHXPMR-UHFFFAOYSA-N 0 0 192.262 1.822 10 0 ADAERN CCC[C@@H](O)Cc1cccnc1N 69943913 572162380 /nfs/dbraw/zinc/16/23/80/572162380.db2.gz XEMSFNXMONFOGE-SECBINFHSA-N 0 0 180.251 1.367 10 0 ADAERN CC[C@@H](C)C(=O)Cc1cccnc1N 69943994 572162392 /nfs/dbraw/zinc/16/23/92/572162392.db2.gz YOVCXOCOHIJSNV-MRVPVSSYSA-N 0 0 192.262 1.822 10 0 ADAERN COCCC[C@@H](O)c1ccoc1 69946281 572162592 /nfs/dbraw/zinc/16/25/92/572162592.db2.gz LFEPWUWEGOSRSC-SECBINFHSA-N 0 0 170.208 1.740 10 0 ADAERN CC[C@@H]1OCC[C@@H]1[C@@H](NN)C1CC1 300392146 572162426 /nfs/dbraw/zinc/16/24/26/572162426.db2.gz YPEFWRJZYKLRGR-GUBZILKMSA-N 0 0 184.283 1.043 10 0 ADAERN CCCc1nccn1CC(N)=S 69964087 572162427 /nfs/dbraw/zinc/16/24/27/572162427.db2.gz DCFXITHBEXFEGF-UHFFFAOYSA-N 0 0 183.280 1.122 10 0 ADAERN O[C@@H]1C=Cc2cocc2C1 18561136 572162440 /nfs/dbraw/zinc/16/24/40/572162440.db2.gz LWSMICHILFIXPL-MRVPVSSYSA-N 0 0 136.150 1.210 10 0 ADAERN CCCC[C@H](O)Cc1cccnc1N 69943930 572162597 /nfs/dbraw/zinc/16/25/97/572162597.db2.gz UTLAZCWLEBALJU-JTQLQIEISA-N 0 0 194.278 1.757 10 0 ADAERN CCOC(=O)[C@@H](N)CCC(C)C 69947537 572162494 /nfs/dbraw/zinc/16/24/94/572162494.db2.gz QUFLFAFIGJRKTK-QMMMGPOBSA-N 0 0 173.256 1.313 10 0 ADAERN COCCCCNc1nncs1 69966471 572162613 /nfs/dbraw/zinc/16/26/13/572162613.db2.gz KZAYAFFMISNCOE-UHFFFAOYSA-N 0 0 187.268 1.377 10 0 ADAERN Fc1ccc2ccnn2c1 18556023 572162617 /nfs/dbraw/zinc/16/26/17/572162617.db2.gz UUUCAVASLXOWDI-UHFFFAOYSA-N 0 0 136.129 1.473 10 0 ADAERN CCCc1nccn1CCC(=O)OC 69963421 572162631 /nfs/dbraw/zinc/16/26/31/572162631.db2.gz QENYOCYNSISJMQ-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN CC[C@H](C)[C@@H](O)Cc1cccnc1N 69943898 572162643 /nfs/dbraw/zinc/16/26/43/572162643.db2.gz UANIEYWXNLTXJB-WPRPVWTQSA-N 0 0 194.278 1.613 10 0 ADAERN CCCc1nccn1[C@@H](C)[C@H](C)O 69964412 572162648 /nfs/dbraw/zinc/16/26/48/572162648.db2.gz LGTFCLYFLIULJN-IUCAKERBSA-N 0 0 182.267 1.777 10 0 ADAERN CCC(O)(CC)Cc1cccnc1N 69943810 572162658 /nfs/dbraw/zinc/16/26/58/572162658.db2.gz HSTKPQZVMVJUQH-UHFFFAOYSA-N 0 0 194.278 1.757 10 0 ADAERN CCCc1nccn1[C@@H](C)[C@@H](C)O 69964408 572162698 /nfs/dbraw/zinc/16/26/98/572162698.db2.gz LGTFCLYFLIULJN-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN CCOC(=O)[C@H](N)CCC(C)C 69947536 572162716 /nfs/dbraw/zinc/16/27/16/572162716.db2.gz QUFLFAFIGJRKTK-MRVPVSSYSA-N 0 0 173.256 1.313 10 0 ADAERN COc1ccc(CCN(C)N)cc1F 71507704 572162728 /nfs/dbraw/zinc/16/27/28/572162728.db2.gz CXMBGNOZLYDFPB-UHFFFAOYSA-N 0 0 198.241 1.182 10 0 ADAERN CCOCC[C@@H](O)c1ccoc1 69946240 572162969 /nfs/dbraw/zinc/16/29/69/572162969.db2.gz GADXNFXYXVJGGI-SECBINFHSA-N 0 0 170.208 1.740 10 0 ADAERN CCCc1nccn1[C@H](C)[C@@H](C)O 69964410 572162972 /nfs/dbraw/zinc/16/29/72/572162972.db2.gz LGTFCLYFLIULJN-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN CC[C@H](C)[NH2+]Cc1nc(C(=O)[O-])co1 71507697 572162979 /nfs/dbraw/zinc/16/29/79/572162979.db2.gz ITIPMCLPPDYXCI-LURJTMIESA-N 0 0 198.222 1.261 10 0 ADAERN CC(C)C[NH2+]Cc1nc(C(=O)[O-])co1 71507695 572162986 /nfs/dbraw/zinc/16/29/86/572162986.db2.gz QRTQDVUBHJAMDZ-UHFFFAOYSA-N 0 0 198.222 1.118 10 0 ADAERN COc1ccc(F)cc1CCN(C)N 71507705 572163080 /nfs/dbraw/zinc/16/30/80/572163080.db2.gz DTMVWIMSRSNPBE-UHFFFAOYSA-N 0 0 198.241 1.182 10 0 ADAERN CCC[C@@H](COC)N[S@@](=O)CC 687788044 572163122 /nfs/dbraw/zinc/16/31/22/572163122.db2.gz UVYCWKPSOOQSJR-UFBFGSQYSA-N 0 0 193.312 1.075 10 0 ADAERN CCC[C@H](NN)[C@@H]1CCO[C@H]1CC 300390747 572163123 /nfs/dbraw/zinc/16/31/23/572163123.db2.gz WVCKMOQQJLKJFU-GUBZILKMSA-N 0 0 186.299 1.434 10 0 ADAERN CCCc1nccn1[C@H](C)C(N)=S 69964086 572163135 /nfs/dbraw/zinc/16/31/35/572163135.db2.gz AERDFLAAFPAGSB-SSDOTTSWSA-N 0 0 197.307 1.683 10 0 ADAERN CC1=CC[C@H]2[C@H](C)C(=O)[C@@H]12 18643629 572163510 /nfs/dbraw/zinc/16/35/10/572163510.db2.gz IAYIXTHRFRCEAP-FXQIFTODSA-N 0 0 136.194 1.788 10 0 ADAERN O=C(CO)CCc1cccc(Cl)c1 71507762 572163195 /nfs/dbraw/zinc/16/31/95/572163195.db2.gz GZDPOFOBGAZVKB-UHFFFAOYSA-N 0 0 198.649 1.834 10 0 ADAERN O[C@H]1CC[C@@H]2CCC=C2C1 18556338 572163204 /nfs/dbraw/zinc/16/32/04/572163204.db2.gz NFEALZGVVJEMQY-CBAPKCEASA-N 0 0 138.210 1.868 10 0 ADAERN C[C@H]([NH2+]C[C@H]1CC1(C)C)[C@H](C)C(=O)[O-] 300393285 572163250 /nfs/dbraw/zinc/16/32/50/572163250.db2.gz XPSGDDIFOTXFMX-XHNCKOQMSA-N 0 0 199.294 1.731 10 0 ADAERN CC[C@@H](C)[C@H](O)Cc1cccnc1N 69943894 572163254 /nfs/dbraw/zinc/16/32/54/572163254.db2.gz UANIEYWXNLTXJB-PSASIEDQSA-N 0 0 194.278 1.613 10 0 ADAERN Cc1nc(-c2cccnc2)ncc1C=O 71507811 572163347 /nfs/dbraw/zinc/16/33/47/572163347.db2.gz XFYSXLGLJFSLBC-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN Cc1nc(-c2ccncc2)ncc1C=O 71507812 572163369 /nfs/dbraw/zinc/16/33/69/572163369.db2.gz RMKYUEGCEFCMTD-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN CCCC[C@@H](O)Cc1cccnc1N 69943932 572163370 /nfs/dbraw/zinc/16/33/70/572163370.db2.gz UTLAZCWLEBALJU-SNVBAGLBSA-N 0 0 194.278 1.757 10 0 ADAERN CCC[C@H](O)Cc1cccnc1N 69943912 572163394 /nfs/dbraw/zinc/16/33/94/572163394.db2.gz XEMSFNXMONFOGE-VIFPVBQESA-N 0 0 180.251 1.367 10 0 ADAERN CCOC[C@@H](C)Nc1nncs1 69966490 572163459 /nfs/dbraw/zinc/16/34/59/572163459.db2.gz NKKBNIXMIOODJZ-ZCFIWIBFSA-N 0 0 187.268 1.375 10 0 ADAERN Cc1c(C[NH3+])noc1C1CC1 18595924 572163526 /nfs/dbraw/zinc/16/35/26/572163526.db2.gz FNADPNYBSGAAHK-UHFFFAOYSA-N 0 0 152.197 1.319 10 0 ADAERN CC[S@@](=O)NCCCCF 687788590 572163533 /nfs/dbraw/zinc/16/35/33/572163533.db2.gz HWJKRJITLHVPOZ-SNVBAGLBSA-N 0 0 167.249 1.009 10 0 ADAERN O[C@@H]1CC[C@H]2CCC=C2C1 18556339 572163552 /nfs/dbraw/zinc/16/35/52/572163552.db2.gz NFEALZGVVJEMQY-VXNVDRBHSA-N 0 0 138.210 1.868 10 0 ADAERN CC[S@](=O)NCCCCF 687788589 572163557 /nfs/dbraw/zinc/16/35/57/572163557.db2.gz HWJKRJITLHVPOZ-JTQLQIEISA-N 0 0 167.249 1.009 10 0 ADAERN CC1(C)C[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(=O)[O-] 300392820 572163579 /nfs/dbraw/zinc/16/35/79/572163579.db2.gz XBRXURIUXBISTI-IWSPIJDZSA-N 0 0 197.278 1.485 10 0 ADAERN CC(C)N(CCO)C(=O)C(C)(C)C 37505138 572163606 /nfs/dbraw/zinc/16/36/06/572163606.db2.gz AAEOOAFHOMLNBB-UHFFFAOYSA-N 0 0 187.283 1.262 10 0 ADAERN Cc1c(CO)noc1C1CC1 18595925 572163621 /nfs/dbraw/zinc/16/36/21/572163621.db2.gz AKAZFKYNKYHXOM-UHFFFAOYSA-N 0 0 153.181 1.353 10 0 ADAERN COC[C@@H](C)Cc1cccnc1N 69944292 572163643 /nfs/dbraw/zinc/16/36/43/572163643.db2.gz IRPZCEVAWPGIRA-QMMMGPOBSA-N 0 0 180.251 1.489 10 0 ADAERN CCCC(=O)N(CCO)C(C)C 37505146 572163733 /nfs/dbraw/zinc/16/37/33/572163733.db2.gz JUSKICZYTMBFIV-UHFFFAOYSA-N 0 0 173.256 1.016 10 0 ADAERN O=C(CO)CCc1ccc(Cl)cc1 71507763 572163683 /nfs/dbraw/zinc/16/36/83/572163683.db2.gz SUVOURPAENOABZ-UHFFFAOYSA-N 0 0 198.649 1.834 10 0 ADAERN Cc1cn2cncc2cn1 18555955 572163722 /nfs/dbraw/zinc/16/37/22/572163722.db2.gz PCLBLJPASXWVQL-UHFFFAOYSA-N 0 0 133.154 1.038 10 0 ADAERN COCCCC(=O)c1ccoc1 69946136 572163752 /nfs/dbraw/zinc/16/37/52/572163752.db2.gz CARQBKTYFQRSNM-UHFFFAOYSA-N 0 0 168.192 1.889 10 0 ADAERN O[C@H]1CCc2cocc2C1 18560137 572163785 /nfs/dbraw/zinc/16/37/85/572163785.db2.gz RLRLVFBPMYUHSR-QMMMGPOBSA-N 0 0 138.166 1.129 10 0 ADAERN CC[C@H](C)[C@H](O)Cc1cccnc1N 69943896 572163827 /nfs/dbraw/zinc/16/38/27/572163827.db2.gz UANIEYWXNLTXJB-WCBMZHEXSA-N 0 0 194.278 1.613 10 0 ADAERN C[C@H]([NH2+]C[C@@H]1CC1(C)C)[C@H](C)C(=O)[O-] 300393284 572164010 /nfs/dbraw/zinc/16/40/10/572164010.db2.gz XPSGDDIFOTXFMX-CIUDSAMLSA-N 0 0 199.294 1.731 10 0 ADAERN CC(C)c1nccn1C[C@H](C)C(N)=O 69950223 572164035 /nfs/dbraw/zinc/16/40/35/572164035.db2.gz ZDQXKQZXSPJFAL-QMMMGPOBSA-N 0 0 195.266 1.128 10 0 ADAERN CC1=CC[C@@H]2[C@H](C)C(=O)[C@@H]12 18643635 572164037 /nfs/dbraw/zinc/16/40/37/572164037.db2.gz IAYIXTHRFRCEAP-RNJXMRFFSA-N 0 0 136.194 1.788 10 0 ADAERN CC[C@@H]1OCC[C@H]1[C@H](NN)C1CC1 300392148 572164045 /nfs/dbraw/zinc/16/40/45/572164045.db2.gz YPEFWRJZYKLRGR-KXUCPTDWSA-N 0 0 184.283 1.043 10 0 ADAERN C[C@@H]1CNc2nocc2C1 18557620 572164313 /nfs/dbraw/zinc/16/43/13/572164313.db2.gz UGRVFWGXWBRDDZ-YFKPBYRVSA-N 0 0 138.170 1.279 10 0 ADAERN CCCc1nccn1CCC(C)=O 69964278 572164776 /nfs/dbraw/zinc/16/47/76/572164776.db2.gz PSRYMGASCVTHPW-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN CCC[C@H](COC)N[S@](=O)CC 687788042 572164409 /nfs/dbraw/zinc/16/44/09/572164409.db2.gz UVYCWKPSOOQSJR-PRHODGIISA-N 0 0 193.312 1.075 10 0 ADAERN CC(C)c1nccn1C[C@@H](C)C(N)=O 69950220 572164416 /nfs/dbraw/zinc/16/44/16/572164416.db2.gz ZDQXKQZXSPJFAL-MRVPVSSYSA-N 0 0 195.266 1.128 10 0 ADAERN CCCc1nccn1C[C@H](O)C1CC1 69964395 572164439 /nfs/dbraw/zinc/16/44/39/572164439.db2.gz NRFFKSSQNUSLEK-JTQLQIEISA-N 0 0 194.278 1.607 10 0 ADAERN COC[C@@H](C)CNc1nncs1 69966548 572164496 /nfs/dbraw/zinc/16/44/96/572164496.db2.gz CGRNSXAUFWQFCN-LURJTMIESA-N 0 0 187.268 1.233 10 0 ADAERN CNC(=O)CCn1ccnc1C(C)C 69950238 572164693 /nfs/dbraw/zinc/16/46/93/572164693.db2.gz ASNDDTGUKKRVMF-UHFFFAOYSA-N 0 0 195.266 1.143 10 0 ADAERN COC(=O)C(=C(C)O)c1cccs1 71507703 572164617 /nfs/dbraw/zinc/16/46/17/572164617.db2.gz PHSAQZOBEFUNRF-MRVPVSSYSA-N 0 0 198.243 1.594 10 0 ADAERN COC(OC)(OC)c1ccoc1 69947072 572164660 /nfs/dbraw/zinc/16/46/60/572164660.db2.gz MEKYLZKJNTVRNS-UHFFFAOYSA-N 0 0 172.180 1.329 10 0 ADAERN CC[C@@H](C)[NH2+]Cc1nc(C(=O)[O-])co1 71507696 572164688 /nfs/dbraw/zinc/16/46/88/572164688.db2.gz ITIPMCLPPDYXCI-ZCFIWIBFSA-N 0 0 198.222 1.261 10 0 ADAERN COC[C@H](C)Cc1cccnc1N 69944293 572164714 /nfs/dbraw/zinc/16/47/14/572164714.db2.gz IRPZCEVAWPGIRA-MRVPVSSYSA-N 0 0 180.251 1.489 10 0 ADAERN CCCc1nccn1[C@H](C)C(C)=O 69964254 572164955 /nfs/dbraw/zinc/16/49/55/572164955.db2.gz SFKIEPFKTWKHGJ-MRVPVSSYSA-N 0 0 180.251 1.986 10 0 ADAERN CSCC(=O)Cc1cccnc1N 69943991 572164968 /nfs/dbraw/zinc/16/49/68/572164968.db2.gz WJIWDNBLYGNWIY-UHFFFAOYSA-N 0 0 196.275 1.138 10 0 ADAERN CCOCCCNc1nncs1 69965762 572164986 /nfs/dbraw/zinc/16/49/86/572164986.db2.gz OAIPILKYVNEZKT-UHFFFAOYSA-N 0 0 187.268 1.377 10 0 ADAERN CCCC(=O)Cc1cccnc1N 69943974 572165048 /nfs/dbraw/zinc/16/50/48/572165048.db2.gz SBKBRDWYZDKGGG-UHFFFAOYSA-N 0 0 178.235 1.576 10 0 ADAERN CC(C)(C)[NH2+]Cc1nc(C(=O)[O-])co1 71507699 572165319 /nfs/dbraw/zinc/16/53/19/572165319.db2.gz ALGFZZWQRMNXLQ-UHFFFAOYSA-N 0 0 198.222 1.261 10 0 ADAERN COCCS[C@H]1CCC(=O)[C@H]1C 83000418 572170099 /nfs/dbraw/zinc/17/00/99/572170099.db2.gz WKHBJSNWTOTILF-APPZFPTMSA-N 0 0 188.292 1.734 10 0 ADAERN Cc1ccc(Cc2cccnc2N)cn1 69944251 572165138 /nfs/dbraw/zinc/16/51/38/572165138.db2.gz PMCVKGUBGFHBPF-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN C=CC1=C[C@@H]2C(=O)C[C@@H]2C1 18797669 572170103 /nfs/dbraw/zinc/17/01/03/572170103.db2.gz FWGYJIBLLWNSCG-YUMQZZPRSA-N 0 0 134.178 1.708 10 0 ADAERN COCCS[C@@H]1CCC(=O)[C@H]1C 83000416 572170130 /nfs/dbraw/zinc/17/01/30/572170130.db2.gz WKHBJSNWTOTILF-VXNVDRBHSA-N 0 0 188.292 1.734 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1C[C@@H]1F 18671456 572165237 /nfs/dbraw/zinc/16/52/37/572165237.db2.gz HABIHZMRBKTLDZ-WDSKDSINSA-N 0 0 160.188 1.686 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1C[C@H]1F 18671458 572165261 /nfs/dbraw/zinc/16/52/61/572165261.db2.gz HABIHZMRBKTLDZ-NTSWFWBYSA-N 0 0 160.188 1.686 10 0 ADAERN CCC(O)(CC)C/C=C\CO 81953416 572165445 /nfs/dbraw/zinc/16/54/45/572165445.db2.gz BSCQGWZKVHGOCG-WAYWQWQTSA-N 0 0 158.241 1.476 10 0 ADAERN CCCC[C@@H](C)N1C[C@@H](O)CC1=O 69972729 572165413 /nfs/dbraw/zinc/16/54/13/572165413.db2.gz PQVXASZNFOZEPJ-BDAKNGLRSA-N 0 0 185.267 1.158 10 0 ADAERN CCC[C@@H](C)C1=NO[C@H](C[NH3+])C1 69978475 572165418 /nfs/dbraw/zinc/16/54/18/572165418.db2.gz CLAIGZJILUURKF-SFYZADRCSA-N 0 0 170.256 1.526 10 0 ADAERN O=Cc1ccccc1C1=NCCO1 82025244 572165433 /nfs/dbraw/zinc/16/54/33/572165433.db2.gz SHEJLFVWASLURT-UHFFFAOYSA-N 0 0 175.187 1.276 10 0 ADAERN CC(C)CC[C@@H](C)N1C[C@H](O)CC1=O 69972093 572165457 /nfs/dbraw/zinc/16/54/57/572165457.db2.gz XBTOAYMRMUAYAL-NXEZZACHSA-N 0 0 199.294 1.404 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)n1ccnc1 300393559 572165462 /nfs/dbraw/zinc/16/54/62/572165462.db2.gz XXXAOLBOCPRXDI-BDAKNGLRSA-N 0 0 193.250 1.629 10 0 ADAERN COCC[C@@H](C)N[S@@](=O)C(C)C 687789090 572171045 /nfs/dbraw/zinc/17/10/45/572171045.db2.gz OCPDWDQBFRKKTE-PELKAZGASA-N 0 0 193.312 1.073 10 0 ADAERN CSCCC(=O)[C@@H]1CCCOC1 69984350 572165549 /nfs/dbraw/zinc/16/55/49/572165549.db2.gz YGLSXZUYBQGNGP-MRVPVSSYSA-N 0 0 188.292 1.735 10 0 ADAERN CC(=O)[C@@H]1O[C@@H]1CC(C)(C)C 18670342 572165571 /nfs/dbraw/zinc/16/55/71/572165571.db2.gz JNCAMLOCQYWIOT-SFYZADRCSA-N 0 0 156.225 1.779 10 0 ADAERN CCCCC[C@@H](C)N1C[C@H](O)CC1=O 69974620 572165620 /nfs/dbraw/zinc/16/56/20/572165620.db2.gz ZOKACWWSYRLAJR-NXEZZACHSA-N 0 0 199.294 1.548 10 0 ADAERN CC(C)CCCN1C[C@H](O)CC1=O 69973538 572165645 /nfs/dbraw/zinc/16/56/45/572165645.db2.gz PDVLVRSNFUIWQB-SECBINFHSA-N 0 0 185.267 1.016 10 0 ADAERN CCC[C@H](O)CCc1cnnn1CC 300959755 572165651 /nfs/dbraw/zinc/16/56/51/572165651.db2.gz YHOZMNFCZMDYMH-JTQLQIEISA-N 0 0 197.282 1.392 10 0 ADAERN CCC[C@@H]1NCN([C@H]2C[C@H]2CC)C1=O 300394878 572165660 /nfs/dbraw/zinc/16/56/60/572165660.db2.gz ZMYXTAOAQMPHDX-UTLUCORTSA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@@H](C)N(C)[S@](=O)CC 687788601 572165672 /nfs/dbraw/zinc/16/56/72/572165672.db2.gz ILEJPLRXIZOZSV-GMSGAONNSA-N 0 0 163.286 1.400 10 0 ADAERN CCC(CC)[C@H](C)N1C[C@@H](O)CC1=O 69973102 572165705 /nfs/dbraw/zinc/16/57/05/572165705.db2.gz RFPZXMIUYDHQDX-WPRPVWTQSA-N 0 0 199.294 1.404 10 0 ADAERN CCCCCc1cc(CO)on1 69979094 572165719 /nfs/dbraw/zinc/16/57/19/572165719.db2.gz BYPHPXRMNPROTB-UHFFFAOYSA-N 0 0 169.224 1.900 10 0 ADAERN C/C=C\CN[S@@](=O)C(C)C 687789315 572174852 /nfs/dbraw/zinc/17/48/52/572174852.db2.gz XGPRZIJLYOQUTC-LWTINBJPSA-N 0 0 161.270 1.224 10 0 ADAERN CCC[C@H](C)N[S@@](=O)CC 687788506 572165744 /nfs/dbraw/zinc/16/57/44/572165744.db2.gz FACMJAFQZNPJKP-XVKPBYJWSA-N 0 0 163.286 1.448 10 0 ADAERN CCCCCC1=NO[C@@H](C[NH3+])C1 69978425 572165761 /nfs/dbraw/zinc/16/57/61/572165761.db2.gz KHFDYYHWOPALOL-SECBINFHSA-N 0 0 170.256 1.670 10 0 ADAERN O[C@@H]1CCC[C@H]2CC[C@@H]1O2 18774019 572165786 /nfs/dbraw/zinc/16/57/86/572165786.db2.gz HMSCIMQRGYLFPW-RNJXMRFFSA-N 0 0 142.198 1.079 10 0 ADAERN CCC[C@H](C)C1=NO[C@@H](CO)C1 69978704 572165810 /nfs/dbraw/zinc/16/58/10/572165810.db2.gz SQJJICWDLOYDKK-JGVFFNPUSA-N 0 0 171.240 1.560 10 0 ADAERN CCC[C@@H](C)C1=NO[C@H](CO)C1 69978693 572165815 /nfs/dbraw/zinc/16/58/15/572165815.db2.gz SQJJICWDLOYDKK-SFYZADRCSA-N 0 0 171.240 1.560 10 0 ADAERN O=Cc1c[nH]c([C@@H]2C[C@H]3CC[C@@H]2O3)n1 69976439 572165821 /nfs/dbraw/zinc/16/58/21/572165821.db2.gz LCJOGRTTXOYFPE-HLTSFMKQSA-N 0 0 192.218 1.257 10 0 ADAERN CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C(=O)[O-] 300394131 572165822 /nfs/dbraw/zinc/16/58/22/572165822.db2.gz YUPXUDFMUNBIAE-PRJMDXOYSA-N 0 0 171.240 1.238 10 0 ADAERN Nc1cnc([C@H]2C[C@H]3CC[C@@H]2O3)nc1 69975261 572165823 /nfs/dbraw/zinc/16/58/23/572165823.db2.gz CAGSTFDYSYBREB-VGMNWLOBSA-N 0 0 191.234 1.094 10 0 ADAERN CC(=O)CCc1ccn(C(C)C)n1 69989066 572165841 /nfs/dbraw/zinc/16/58/41/572165841.db2.gz DBIGDVROCHIPAK-UHFFFAOYSA-N 0 0 180.251 1.986 10 0 ADAERN CCCCCC1=NO[C@@H](CO)C1 69978954 572165726 /nfs/dbraw/zinc/16/57/26/572165726.db2.gz ZWXJBZLTRBRHRD-SECBINFHSA-N 0 0 171.240 1.704 10 0 ADAERN CCC[C@@H]1NCN([C@@H]2C[C@H]2CC)C1=O 300394877 572165862 /nfs/dbraw/zinc/16/58/62/572165862.db2.gz ZMYXTAOAQMPHDX-KXUCPTDWSA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@](C)(C[NH+](C)C)C(=O)[O-] 18679503 572165889 /nfs/dbraw/zinc/16/58/89/572165889.db2.gz SQGIINFWUSPFKA-MRVPVSSYSA-N 0 0 159.229 1.049 10 0 ADAERN CC(C)CCCN1C[C@@H](O)CC1=O 69973539 572166248 /nfs/dbraw/zinc/16/62/48/572166248.db2.gz PDVLVRSNFUIWQB-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN CCC[C@@H](C)C1=NO[C@@H](C[NH3+])C1 69978483 572166263 /nfs/dbraw/zinc/16/62/63/572166263.db2.gz CLAIGZJILUURKF-HTQZYQBOSA-N 0 0 170.256 1.526 10 0 ADAERN CCCCCCN1C[C@@H](O)CC1=O 70020496 572165938 /nfs/dbraw/zinc/16/59/38/572165938.db2.gz SJGPRIRNZCFOBL-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN CCCCN(C)[S@](=O)CC 687788476 572165960 /nfs/dbraw/zinc/16/59/60/572165960.db2.gz CVRSFSIBQWKIAO-SNVBAGLBSA-N 0 0 163.286 1.402 10 0 ADAERN CCCCC[C@H](C)N1C[C@H](O)CC1=O 69974623 572165965 /nfs/dbraw/zinc/16/59/65/572165965.db2.gz ZOKACWWSYRLAJR-VHSXEESVSA-N 0 0 199.294 1.548 10 0 ADAERN CCC(CC)[C@H](C)N1C[C@H](O)CC1=O 69973096 572165977 /nfs/dbraw/zinc/16/59/77/572165977.db2.gz RFPZXMIUYDHQDX-WCBMZHEXSA-N 0 0 199.294 1.404 10 0 ADAERN CO[C@](C)(OC(C)C)C(C)=O 18679423 572165986 /nfs/dbraw/zinc/16/59/86/572165986.db2.gz KEBVFAMCNCWENE-MRVPVSSYSA-N 0 0 160.213 1.363 10 0 ADAERN CCC[C@@H](C)C1=NO[C@@H](CO)C1 69978701 572165997 /nfs/dbraw/zinc/16/59/97/572165997.db2.gz SQJJICWDLOYDKK-HTQZYQBOSA-N 0 0 171.240 1.560 10 0 ADAERN 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ZTIQZPRWCXSPSP-UHFFFAOYSA-N 0 0 136.154 1.060 10 0 ADAERN O[C@@H]1C=C(C2CC2)CCC1 18899693 572171145 /nfs/dbraw/zinc/17/11/45/572171145.db2.gz GBYJSWSOMAKSFO-VIFPVBQESA-N 0 0 138.210 1.868 10 0 ADAERN C#CCON=Cc1cnc(C)s1 393346881 572171218 /nfs/dbraw/zinc/17/12/18/572171218.db2.gz HHSYBKJHVDLAKC-UHFFFAOYSA-N 0 0 180.232 1.435 10 0 ADAERN C[C@@H](CON)COC(C)(C)C 114411818 572171310 /nfs/dbraw/zinc/17/13/10/572171310.db2.gz QANXASAETAQJFZ-SSDOTTSWSA-N 0 0 161.245 1.328 10 0 ADAERN CC[S@](=O)NCc1cnccc1C 687789490 572171362 /nfs/dbraw/zinc/17/13/62/572171362.db2.gz WXMKABJZDPNDPK-ZDUSSCGKSA-N 0 0 198.291 1.163 10 0 ADAERN CC(C)S[C@@H](C)C(=O)N1CCC1 393346963 572171397 /nfs/dbraw/zinc/17/13/97/572171397.db2.gz IDRHEFCELQYVBP-QMMMGPOBSA-N 0 0 187.308 1.749 10 0 ADAERN CO[C@H](C)CN(C)[S@@](=O)C(C)C 687789070 572171481 /nfs/dbraw/zinc/17/14/81/572171481.db2.gz NURNMUDSWRQTRT-PELKAZGASA-N 0 0 193.312 1.025 10 0 ADAERN COC[C@@H](C)N(C)[S@@](=O)C(C)C 687789361 572171484 /nfs/dbraw/zinc/17/14/84/572171484.db2.gz ZEYCQJUAOFQHGV-PELKAZGASA-N 0 0 193.312 1.025 10 0 ADAERN CC[S@@](=O)NCc1cccc(C)c1 687789372 572171487 /nfs/dbraw/zinc/17/14/87/572171487.db2.gz JJNRNYPVNLCMKD-CYBMUJFWSA-N 0 0 197.303 1.768 10 0 ADAERN COCC[C@@H](C)N[S@](=O)C(C)C 687789091 572171498 /nfs/dbraw/zinc/17/14/98/572171498.db2.gz OCPDWDQBFRKKTE-PRHODGIISA-N 0 0 193.312 1.073 10 0 ADAERN O[C@H]1CCC[C@H](C2CC2)C1 18879149 572173220 /nfs/dbraw/zinc/17/32/20/572173220.db2.gz UEUAESLVPPVNMT-IUCAKERBSA-N 0 0 140.226 1.948 10 0 ADAERN c1cc(NC2CC2)ncn1 18857977 572171530 /nfs/dbraw/zinc/17/15/30/572171530.db2.gz DEEVLMZIRQYUEJ-UHFFFAOYSA-N 0 0 135.170 1.051 10 0 ADAERN COC[C@@H](C)N(C)[S@](=O)C(C)C 687789362 572171532 /nfs/dbraw/zinc/17/15/32/572171532.db2.gz ZEYCQJUAOFQHGV-PRHODGIISA-N 0 0 193.312 1.025 10 0 ADAERN COC[C@H](C)N(C)[S@](=O)C(C)C 687789363 572173222 /nfs/dbraw/zinc/17/32/22/572173222.db2.gz ZEYCQJUAOFQHGV-QPUJVOFHSA-N 0 0 193.312 1.025 10 0 ADAERN COC(=O)C[C@H](C)n1cc(C)cn1 37677026 572173223 /nfs/dbraw/zinc/17/32/23/572173223.db2.gz YRJFWMMLVPUSGU-QMMMGPOBSA-N 0 0 182.223 1.316 10 0 ADAERN Cc1ccnc(C2CC2)n1 18899242 572171594 /nfs/dbraw/zinc/17/15/94/572171594.db2.gz WRMHJGFQWZQEFO-UHFFFAOYSA-N 0 0 134.182 1.662 10 0 ADAERN CC(C)/C=C/C=C\[C@H](O)CCO 82219046 572171607 /nfs/dbraw/zinc/17/16/07/572171607.db2.gz OMSBTDBINXRBHF-TVKWISEYSA-N 0 0 170.252 1.498 10 0 ADAERN CC[S@](=O)NCc1ncccc1C 687789502 572171616 /nfs/dbraw/zinc/17/16/16/572171616.db2.gz YJHPSUBCWPZYCF-ZDUSSCGKSA-N 0 0 198.291 1.163 10 0 ADAERN O=c1ccn(C2CC2)cc1 18853319 572171619 /nfs/dbraw/zinc/17/16/19/572171619.db2.gz ZLTKWHIWKLGHOF-UHFFFAOYSA-N 0 0 135.166 1.183 10 0 ADAERN O=C1C[C@H](C2CC2)CCO1 18880515 572171661 /nfs/dbraw/zinc/17/16/61/572171661.db2.gz JEZPOKPVOMJFAC-SSDOTTSWSA-N 0 0 140.182 1.350 10 0 ADAERN CC(=O)CCCn1cc(C)cn1 37677586 572171739 /nfs/dbraw/zinc/17/17/39/572171739.db2.gz GLSYGKAGJINWRO-UHFFFAOYSA-N 0 0 166.224 1.561 10 0 ADAERN COCC[C@H](C)N[S@](=O)C(C)C 687789092 572171775 /nfs/dbraw/zinc/17/17/75/572171775.db2.gz OCPDWDQBFRKKTE-QPUJVOFHSA-N 0 0 193.312 1.073 10 0 ADAERN O[C@@H]1CCC[C@@H](C2CC2)C1 18879140 572171825 /nfs/dbraw/zinc/17/18/25/572171825.db2.gz UEUAESLVPPVNMT-RKDXNWHRSA-N 0 0 140.226 1.948 10 0 ADAERN Fc1cnc(C2CC2)cn1 18855107 572172089 /nfs/dbraw/zinc/17/20/89/572172089.db2.gz UVLZLBNCQIJWTN-UHFFFAOYSA-N 0 0 138.145 1.493 10 0 ADAERN CC(C)OC(=O)[C@H](C)n1cccn1 83021755 572171843 /nfs/dbraw/zinc/17/18/43/572171843.db2.gz DJVAGXWHVYNKAL-QMMMGPOBSA-N 0 0 182.223 1.396 10 0 ADAERN CO[C@@H](C)CN(C)[S@](=O)C(C)C 687789072 572171850 /nfs/dbraw/zinc/17/18/50/572171850.db2.gz NURNMUDSWRQTRT-QPUJVOFHSA-N 0 0 193.312 1.025 10 0 ADAERN COCC[C@H](C)N[S@@](=O)C(C)C 687789093 572171859 /nfs/dbraw/zinc/17/18/59/572171859.db2.gz OCPDWDQBFRKKTE-UFBFGSQYSA-N 0 0 193.312 1.073 10 0 ADAERN C1=C(OC2CC2)CCOC1 18858385 572171861 /nfs/dbraw/zinc/17/18/61/572171861.db2.gz XYFXNQKXUYPXFI-UHFFFAOYSA-N 0 0 140.182 1.470 10 0 ADAERN CC[C@@H]1CCCN1[S@](=O)CC 687789358 572171887 /nfs/dbraw/zinc/17/18/87/572171887.db2.gz YWNRFWCEGKEFBP-LDYMZIIASA-N 0 0 175.297 1.544 10 0 ADAERN CC[C@@H]1CCCN1[S@@](=O)CC 687789356 572172092 /nfs/dbraw/zinc/17/20/92/572172092.db2.gz YWNRFWCEGKEFBP-KCJUWKMLSA-N 0 0 175.297 1.544 10 0 ADAERN CC[S@@](=O)NCc1ccncc1C 687789381 572171915 /nfs/dbraw/zinc/17/19/15/572171915.db2.gz KMYZPMIDQJBKOG-CYBMUJFWSA-N 0 0 198.291 1.163 10 0 ADAERN CCCOc1ncncc1C(=O)OC 300960192 572171932 /nfs/dbraw/zinc/17/19/32/572171932.db2.gz VIGPZKHDABPTBG-UHFFFAOYSA-N 0 0 196.206 1.052 10 0 ADAERN CC(C)/C(=C/c1csnn1)CO 393346463 572171935 /nfs/dbraw/zinc/17/19/35/572171935.db2.gz FEARKWXZQPLLDP-XVNBXDOJSA-N 0 0 184.264 1.570 10 0 ADAERN CC[S@@](=O)NCc1cnccc1C 687789489 572171810 /nfs/dbraw/zinc/17/18/10/572171810.db2.gz WXMKABJZDPNDPK-CYBMUJFWSA-N 0 0 198.291 1.163 10 0 ADAERN CC[S@@](=O)NCc1cc(C)ccn1 687789376 572171972 /nfs/dbraw/zinc/17/19/72/572171972.db2.gz JONJGAGWWZHQFC-CYBMUJFWSA-N 0 0 198.291 1.163 10 0 ADAERN CO[C@@H](C)CN(C)[S@@](=O)C(C)C 687789073 572171977 /nfs/dbraw/zinc/17/19/77/572171977.db2.gz NURNMUDSWRQTRT-UFBFGSQYSA-N 0 0 193.312 1.025 10 0 ADAERN CC[C@@H](CC(N)=S)n1cc(C)cn1 37677360 572172066 /nfs/dbraw/zinc/17/20/66/572172066.db2.gz ARBRSBIZTPWNQO-QMMMGPOBSA-N 0 0 197.307 1.819 10 0 ADAERN COc1ccccc1COCCO 114412689 572172271 /nfs/dbraw/zinc/17/22/71/572172271.db2.gz TUACQCVHBZGPSE-UHFFFAOYSA-N 0 0 182.219 1.204 10 0 ADAERN O[C@@H]1CCC[C@H](C2CC2)C1 18879146 572172311 /nfs/dbraw/zinc/17/23/11/572172311.db2.gz UEUAESLVPPVNMT-DTWKUNHWSA-N 0 0 140.226 1.948 10 0 ADAERN O=C1C[C@@H](C2CC2)CCO1 18880513 572172324 /nfs/dbraw/zinc/17/23/24/572172324.db2.gz JEZPOKPVOMJFAC-ZETCQYMHSA-N 0 0 140.182 1.350 10 0 ADAERN O=C(OCC(F)F)c1cocn1 393346386 572172279 /nfs/dbraw/zinc/17/22/79/572172279.db2.gz DISACZKMAVONDZ-UHFFFAOYSA-N 0 0 177.106 1.097 10 0 ADAERN CCCOC(=O)[C@@H](C)n1cccn1 83021756 572172339 /nfs/dbraw/zinc/17/23/39/572172339.db2.gz SFIDFHOBNLINSY-MRVPVSSYSA-N 0 0 182.223 1.397 10 0 ADAERN CC(C)OC(=O)[C@@H](C)n1cccn1 83021754 572172365 /nfs/dbraw/zinc/17/23/65/572172365.db2.gz DJVAGXWHVYNKAL-MRVPVSSYSA-N 0 0 182.223 1.396 10 0 ADAERN COCCCNc1cc(N)cc(F)c1 37667923 572172398 /nfs/dbraw/zinc/17/23/98/572172398.db2.gz DMRGAHSXVWQDTL-UHFFFAOYSA-N 0 0 198.241 1.856 10 0 ADAERN CC(=O)[C@@H](C)N(C)CC(F)(F)F 37665125 572172416 /nfs/dbraw/zinc/17/24/16/572172416.db2.gz UQOLXIBRLOJXQR-RXMQYKEDSA-N 0 0 183.173 1.458 10 0 ADAERN c1cnc(OC2CC2)nc1 18859127 572172424 /nfs/dbraw/zinc/17/24/24/572172424.db2.gz GYKDZNHWBLEZSZ-UHFFFAOYSA-N 0 0 136.154 1.018 10 0 ADAERN CC[C@@H](CN[S@@](=O)C(C)C)OC 687789354 572172425 /nfs/dbraw/zinc/17/24/25/572172425.db2.gz YVQSZMJFRJFBJT-UFBFGSQYSA-N 0 0 193.312 1.073 10 0 ADAERN CCN(CC(=O)[O-])c1cc[nH+]cc1C 70045324 572172442 /nfs/dbraw/zinc/17/24/42/572172442.db2.gz DLHQBISDCJTIRF-UHFFFAOYSA-N 0 0 194.234 1.301 10 0 ADAERN COC(=O)C[C@@H](C)n1cc(C)cn1 37677027 572172501 /nfs/dbraw/zinc/17/25/01/572172501.db2.gz YRJFWMMLVPUSGU-MRVPVSSYSA-N 0 0 182.223 1.316 10 0 ADAERN CC[C@H]1CCCN1[S@](=O)CC 687789355 572172507 /nfs/dbraw/zinc/17/25/07/572172507.db2.gz YWNRFWCEGKEFBP-GZMMTYOYSA-N 0 0 175.297 1.544 10 0 ADAERN CC[C@H]1OCC[C@@H]1C(=O)C1CC1 234068095 572172580 /nfs/dbraw/zinc/17/25/80/572172580.db2.gz ABEUKSKDUPKRDP-DTWKUNHWSA-N 0 0 168.236 1.781 10 0 ADAERN CCN(CCOC)[S@@](=O)C(C)C 687788949 572172553 /nfs/dbraw/zinc/17/25/53/572172553.db2.gz AZMHDGMUIWUHKT-LBPRGKRZSA-N 0 0 193.312 1.027 10 0 ADAERN CC[S@](=O)NCc1cccc(C)c1 687789374 572172626 /nfs/dbraw/zinc/17/26/26/572172626.db2.gz JJNRNYPVNLCMKD-ZDUSSCGKSA-N 0 0 197.303 1.768 10 0 ADAERN C[C@H](CON)COC(C)(C)C 114411820 572172733 /nfs/dbraw/zinc/17/27/33/572172733.db2.gz QANXASAETAQJFZ-ZETCQYMHSA-N 0 0 161.245 1.328 10 0 ADAERN CC[C@H](CN[S@](=O)C(C)C)OC 687789352 572172759 /nfs/dbraw/zinc/17/27/59/572172759.db2.gz YVQSZMJFRJFBJT-PRHODGIISA-N 0 0 193.312 1.073 10 0 ADAERN CC[S@@](=O)NCc1ccccc1C 687789483 572172762 /nfs/dbraw/zinc/17/27/62/572172762.db2.gz VCXIFIDHCFAKQN-CYBMUJFWSA-N 0 0 197.303 1.768 10 0 ADAERN CCOCC(O)(C1CC1)C1CC1 393346891 572172787 /nfs/dbraw/zinc/17/27/87/572172787.db2.gz HIUXTMPXXZYLDX-UHFFFAOYSA-N 0 0 170.252 1.574 10 0 ADAERN COC(=O)CCN(C)CC(F)(F)F 37664899 572172793 /nfs/dbraw/zinc/17/27/93/572172793.db2.gz HILCFSLCTGBDBJ-UHFFFAOYSA-N 0 0 199.172 1.044 10 0 ADAERN CC[C@@H](CN[S@](=O)C(C)C)OC 687789353 572172836 /nfs/dbraw/zinc/17/28/36/572172836.db2.gz YVQSZMJFRJFBJT-QPUJVOFHSA-N 0 0 193.312 1.073 10 0 ADAERN CNOc1ccccc1Cl 82223650 572172903 /nfs/dbraw/zinc/17/29/03/572172903.db2.gz KSLNVFLKJREWMA-UHFFFAOYSA-N 0 0 157.600 1.853 10 0 ADAERN COC(=O)[C@@H](C)Cn1cc(C)cn1 37677031 572172911 /nfs/dbraw/zinc/17/29/11/572172911.db2.gz VZYISSBZEKTBPK-QMMMGPOBSA-N 0 0 182.223 1.001 10 0 ADAERN CC(=O)CCCCn1cc(C)cn1 37677584 572172922 /nfs/dbraw/zinc/17/29/22/572172922.db2.gz RLSLHXHESQZTNN-UHFFFAOYSA-N 0 0 180.251 1.951 10 0 ADAERN COC[C@H](C)N(C)[S@@](=O)C(C)C 687789373 572172978 /nfs/dbraw/zinc/17/29/78/572172978.db2.gz ZEYCQJUAOFQHGV-UFBFGSQYSA-N 0 0 193.312 1.025 10 0 ADAERN CC[S@@](=O)Nc1cc(C)on1 687789487 572172993 /nfs/dbraw/zinc/17/29/93/572172993.db2.gz WDJORUOUJOSEQP-LLVKDONJSA-N 0 0 174.225 1.079 10 0 ADAERN CC[C@H](CC(N)=S)n1cc(C)cn1 37677361 572173023 /nfs/dbraw/zinc/17/30/23/572173023.db2.gz ARBRSBIZTPWNQO-MRVPVSSYSA-N 0 0 197.307 1.819 10 0 ADAERN CC[S@](=O)NCc1ccncc1C 687789383 572173069 /nfs/dbraw/zinc/17/30/69/572173069.db2.gz KMYZPMIDQJBKOG-ZDUSSCGKSA-N 0 0 198.291 1.163 10 0 ADAERN C/C=C\CC[NH2+][C@@H]1CC[C@@H]1C(=O)[O-] 393346855 572173143 /nfs/dbraw/zinc/17/31/43/572173143.db2.gz HAARYQGVMMVLOG-NFLJOPSSSA-N 0 0 183.251 1.405 10 0 ADAERN CC[C@H](CN[S@@](=O)C(C)C)OC 687789351 572173171 /nfs/dbraw/zinc/17/31/71/572173171.db2.gz YVQSZMJFRJFBJT-PELKAZGASA-N 0 0 193.312 1.073 10 0 ADAERN CC(=O)CCN(C)CC(F)(F)F 37665098 572173182 /nfs/dbraw/zinc/17/31/82/572173182.db2.gz FKEXEKAOSRJZSM-UHFFFAOYSA-N 0 0 183.173 1.460 10 0 ADAERN O[C@H]1C=C(C2CC2)CCC1 18899691 572173192 /nfs/dbraw/zinc/17/31/92/572173192.db2.gz GBYJSWSOMAKSFO-SECBINFHSA-N 0 0 138.210 1.868 10 0 ADAERN CC[C@@H](C)OC(=O)CCCCO 82229375 572173195 /nfs/dbraw/zinc/17/31/95/572173195.db2.gz XPRDCXVCVKHGPY-MRVPVSSYSA-N 0 0 174.240 1.491 10 0 ADAERN CC[S@](=O)Nc1cc(C)on1 687789488 572173294 /nfs/dbraw/zinc/17/32/94/572173294.db2.gz WDJORUOUJOSEQP-NSHDSACASA-N 0 0 174.225 1.079 10 0 ADAERN C[C@H](N[C@H]1CCC[C@H]1CO)C(F)F 300402190 572173308 /nfs/dbraw/zinc/17/33/08/572173308.db2.gz LCVDLGQLFSWZBJ-FXQIFTODSA-N 0 0 193.237 1.391 10 0 ADAERN CC[C@H]1CCCN1[S@@](=O)CC 687789357 572173348 /nfs/dbraw/zinc/17/33/48/572173348.db2.gz YWNRFWCEGKEFBP-KWQFWETISA-N 0 0 175.297 1.544 10 0 ADAERN Cc1cnn(CCCC(N)=S)c1 37677340 572173357 /nfs/dbraw/zinc/17/33/57/572173357.db2.gz BAJPGMVRTPXECV-UHFFFAOYSA-N 0 0 183.280 1.258 10 0 ADAERN O[C@H]1CCC[C@@H](C2CC2)C1 18879143 572173424 /nfs/dbraw/zinc/17/34/24/572173424.db2.gz UEUAESLVPPVNMT-BDAKNGLRSA-N 0 0 140.226 1.948 10 0 ADAERN CC[S@](=O)NCc1cc(C)ccn1 687789378 572173509 /nfs/dbraw/zinc/17/35/09/572173509.db2.gz JONJGAGWWZHQFC-ZDUSSCGKSA-N 0 0 198.291 1.163 10 0 ADAERN CC[S@](=O)NCc1ccccc1C 687789484 572173621 /nfs/dbraw/zinc/17/36/21/572173621.db2.gz VCXIFIDHCFAKQN-ZDUSSCGKSA-N 0 0 197.303 1.768 10 0 ADAERN COC(=O)[C@H](C)Cn1cc(C)cn1 37677030 572173632 /nfs/dbraw/zinc/17/36/32/572173632.db2.gz VZYISSBZEKTBPK-MRVPVSSYSA-N 0 0 182.223 1.001 10 0 ADAERN CO[C@H](C)CN(C)[S@](=O)C(C)C 687789071 572173638 /nfs/dbraw/zinc/17/36/38/572173638.db2.gz NURNMUDSWRQTRT-PRHODGIISA-N 0 0 193.312 1.025 10 0 ADAERN CC[C@@H](C(C)C)N1C[C@H](CO)CC1=O 70053994 572173860 /nfs/dbraw/zinc/17/38/60/572173860.db2.gz JKKMUUYOZRGCNB-ZJUUUORDSA-N 0 0 199.294 1.262 10 0 ADAERN CC[S@](=O)Nc1nc(C)co1 687789304 572173889 /nfs/dbraw/zinc/17/38/89/572173889.db2.gz WTJLMVQMSDSCTN-NSHDSACASA-N 0 0 174.225 1.079 10 0 ADAERN CCCC[C@@H](C)N1CCC[C@H]([NH3+])C1=O 70062391 572173894 /nfs/dbraw/zinc/17/38/94/572173894.db2.gz LSNDPAQEWGXSNA-ZJUUUORDSA-N 0 0 198.310 1.515 10 0 ADAERN CCCCCN1CCC[C@H]([NH3+])C1=O 70062138 572173905 /nfs/dbraw/zinc/17/39/05/572173905.db2.gz YPEVJWPXDQAULT-VIFPVBQESA-N 0 0 184.283 1.126 10 0 ADAERN CCC[C@@H](C)N1C[C@@H](CO)CC1=O 70053270 572174079 /nfs/dbraw/zinc/17/40/79/572174079.db2.gz UJVKEUPCNLXWDQ-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN CCc1c(C=O)coc1N 19042843 572174088 /nfs/dbraw/zinc/17/40/88/572174088.db2.gz WVGWJRVKFUHYGH-UHFFFAOYSA-N 0 0 139.154 1.237 10 0 ADAERN CCC[C@H](CC)N1C[C@H](CO)CC1=O 70053558 572174926 /nfs/dbraw/zinc/17/49/26/572174926.db2.gz BTLDFBGWKXHGKI-ZJUUUORDSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H](O)COc1ccc(C=O)cc1 37687967 572174094 /nfs/dbraw/zinc/17/40/94/572174094.db2.gz USNBPRYHKXMBHK-QMMMGPOBSA-N 0 0 180.203 1.259 10 0 ADAERN CCCC[C@H](C)N1CCC[C@H]([NH3+])C1=O 70062392 572174100 /nfs/dbraw/zinc/17/41/00/572174100.db2.gz LSNDPAQEWGXSNA-UWVGGRQHSA-N 0 0 198.310 1.515 10 0 ADAERN CC[S@@](=O)NCCc1ccccc1 687789222 572174112 /nfs/dbraw/zinc/17/41/12/572174112.db2.gz GHLGEBSDFJHQFR-CYBMUJFWSA-N 0 0 197.303 1.502 10 0 ADAERN COC[C@H](C)Oc1nccc(C)c1N 70063241 572174890 /nfs/dbraw/zinc/17/48/90/572174890.db2.gz DVPPHPVIWJOPJJ-QMMMGPOBSA-N 0 0 196.250 1.386 10 0 ADAERN CCc1ccc(OCCO)c(N)c1 70063310 572174159 /nfs/dbraw/zinc/17/41/59/572174159.db2.gz QYDBAUGALIYSPJ-UHFFFAOYSA-N 0 0 181.235 1.202 10 0 ADAERN CCCC[C@H](C)N1C[C@@H](CO)CC1=O 70053554 572174176 /nfs/dbraw/zinc/17/41/76/572174176.db2.gz FJXQFSQXGOXUPK-UWVGGRQHSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@@H](O)COc1cccc(C=O)c1 37687972 572174217 /nfs/dbraw/zinc/17/42/17/572174217.db2.gz URRASUNXULPLDJ-MRVPVSSYSA-N 0 0 180.203 1.259 10 0 ADAERN Nc1cccc2c[n+]([O-])ccc12 205065525 572174248 /nfs/dbraw/zinc/17/42/48/572174248.db2.gz SESKAGIATRJFHN-UHFFFAOYSA-N 0 0 160.176 1.055 10 0 ADAERN CCCCO[C@H]1C[C@@H]1CO 19059400 572174262 /nfs/dbraw/zinc/17/42/62/572174262.db2.gz LAJLHPJPHPVIKI-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H](CC1CC1)N1C[C@@H](CO)CC1=O 70053815 572174263 /nfs/dbraw/zinc/17/42/63/572174263.db2.gz WIIQJHMEMFJLEI-SCZZXKLOSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@H](O)c1cccc(OC[C@@H](C)O)c1 37688156 572174274 /nfs/dbraw/zinc/17/42/74/572174274.db2.gz RTQUFDLEYGBOPP-BDAKNGLRSA-N 0 0 196.246 1.500 10 0 ADAERN CC(C)CCCN1CCC[C@@H]([NH3+])C1=O 70061549 572174286 /nfs/dbraw/zinc/17/42/86/572174286.db2.gz AJRRNGLIUCJPSH-SNVBAGLBSA-N 0 0 198.310 1.372 10 0 ADAERN C[C@H](O)c1ccc(OC[C@@H](C)O)cc1 37688144 572174292 /nfs/dbraw/zinc/17/42/92/572174292.db2.gz DPTPPYMDHZULCW-BDAKNGLRSA-N 0 0 196.246 1.500 10 0 ADAERN CCCCCCN1CCC[C@H]([NH3+])C1=O 70062557 572174295 /nfs/dbraw/zinc/17/42/95/572174295.db2.gz CLLLWGFVYPOUCF-JTQLQIEISA-N 0 0 198.310 1.516 10 0 ADAERN CC[C@@H]1O[C@H]1CCCCO 19060438 572174311 /nfs/dbraw/zinc/17/43/11/572174311.db2.gz OUVPDVHDVYVBBF-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@@H](O)COc1ccc(C=O)cc1 37688909 572174316 /nfs/dbraw/zinc/17/43/16/572174316.db2.gz HRFXWBSEBIEWLW-SNVBAGLBSA-N 0 0 194.230 1.649 10 0 ADAERN CCCCCN1C(=O)NC(=O)C1(C)C 70064726 572174327 /nfs/dbraw/zinc/17/43/27/572174327.db2.gz URIRHLGTDQGHFD-UHFFFAOYSA-N 0 0 198.266 1.507 10 0 ADAERN CCC[C@@H](C)N1C[C@H](CO)CC1=O 70053267 572174376 /nfs/dbraw/zinc/17/43/76/572174376.db2.gz UJVKEUPCNLXWDQ-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN CCCCO[C@H]1C[C@H]1CO 19059405 572174377 /nfs/dbraw/zinc/17/43/77/572174377.db2.gz LAJLHPJPHPVIKI-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CC[C@@H](O)COc1cccc(CO)c1 37689057 572174432 /nfs/dbraw/zinc/17/44/32/572174432.db2.gz QXGGHDZYXQWEFX-SNVBAGLBSA-N 0 0 196.246 1.329 10 0 ADAERN CC[C@@H](O)COc1ccc(CO)cc1 37689053 572174482 /nfs/dbraw/zinc/17/44/82/572174482.db2.gz BUBHIEVKZXSNAT-SNVBAGLBSA-N 0 0 196.246 1.329 10 0 ADAERN COCCSc1nccc(C)c1N 70063271 572174531 /nfs/dbraw/zinc/17/45/31/572174531.db2.gz DSPODKSQFHVSTB-UHFFFAOYSA-N 0 0 198.291 1.711 10 0 ADAERN C/C=C/CC[C@@H]1O[C@@H]1CO 19072116 572174539 /nfs/dbraw/zinc/17/45/39/572174539.db2.gz MXTGXMRDYRHKIB-RIAPOHOLSA-N 0 0 142.198 1.102 10 0 ADAERN CC[C@@H](C(C)C)N1C[C@@H](CO)CC1=O 70053997 572174911 /nfs/dbraw/zinc/17/49/11/572174911.db2.gz JKKMUUYOZRGCNB-UWVGGRQHSA-N 0 0 199.294 1.262 10 0 ADAERN COCCCOc1nccc(C)c1N 70063222 572174593 /nfs/dbraw/zinc/17/45/93/572174593.db2.gz IVIKMZFJCQUQQA-UHFFFAOYSA-N 0 0 196.250 1.388 10 0 ADAERN C[C@@H](CC1CC1)N1C[C@@H](CO)CC1=O 70053811 572174614 /nfs/dbraw/zinc/17/46/14/572174614.db2.gz WIIQJHMEMFJLEI-WPRPVWTQSA-N 0 0 197.278 1.016 10 0 ADAERN CCC[C@H](CC)N1CCC[C@H]([NH3+])C1=O 70062396 572174668 /nfs/dbraw/zinc/17/46/68/572174668.db2.gz QQZLLNBNBJJDNK-UWVGGRQHSA-N 0 0 198.310 1.515 10 0 ADAERN CCCCCCN1C[C@H](CO)CC1=O 70053790 572174683 /nfs/dbraw/zinc/17/46/83/572174683.db2.gz QXCRZSJVTBCNHM-SNVBAGLBSA-N 0 0 199.294 1.408 10 0 ADAERN CC[S@](=O)NCc1cccc(C)n1 687789138 572174703 /nfs/dbraw/zinc/17/47/03/572174703.db2.gz AGLLKHYAFVWZFF-ZDUSSCGKSA-N 0 0 198.291 1.163 10 0 ADAERN CC[C@H](O)CSc1ccc(N)cn1 37689034 572174705 /nfs/dbraw/zinc/17/47/05/572174705.db2.gz FHMWXLUYZZCRNV-QMMMGPOBSA-N 0 0 198.291 1.527 10 0 ADAERN CCCN1C(=O)NC(=O)C1(CC)CC 70064824 572174723 /nfs/dbraw/zinc/17/47/23/572174723.db2.gz ANUWDABZQFGIHA-UHFFFAOYSA-N 0 0 198.266 1.507 10 0 ADAERN CCC[C@@H](CC)N1C[C@H](CO)CC1=O 70053556 572174774 /nfs/dbraw/zinc/17/47/74/572174774.db2.gz BTLDFBGWKXHGKI-NXEZZACHSA-N 0 0 199.294 1.406 10 0 ADAERN CCCCN1C(=O)NC(=O)[C@]1(C)CC 70064782 572174817 /nfs/dbraw/zinc/17/48/17/572174817.db2.gz PFGWZASLLKAKKR-JTQLQIEISA-N 0 0 198.266 1.507 10 0 ADAERN CCC[C@H](CC)N1C[C@@H](CO)CC1=O 70053563 572174831 /nfs/dbraw/zinc/17/48/31/572174831.db2.gz BTLDFBGWKXHGKI-UWVGGRQHSA-N 0 0 199.294 1.406 10 0 ADAERN CCCC[C@H](C)N1C[C@H](CO)CC1=O 70053550 572174849 /nfs/dbraw/zinc/17/48/49/572174849.db2.gz FJXQFSQXGOXUPK-VHSXEESVSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H](O)COc1cccc([C@H](C)O)c1 37688155 572174864 /nfs/dbraw/zinc/17/48/64/572174864.db2.gz RTQUFDLEYGBOPP-IUCAKERBSA-N 0 0 196.246 1.500 10 0 ADAERN C[C@H](O)COc1cccc([C@@H](C)O)c1 37688153 572174878 /nfs/dbraw/zinc/17/48/78/572174878.db2.gz RTQUFDLEYGBOPP-DTWKUNHWSA-N 0 0 196.246 1.500 10 0 ADAERN CCc1c(C)c[nH]c1CO 19055456 572174883 /nfs/dbraw/zinc/17/48/83/572174883.db2.gz OJMXDVDCPXUPHW-UHFFFAOYSA-N 0 0 139.198 1.378 10 0 ADAERN CCc1noc(C)c1CO 19042562 572174980 /nfs/dbraw/zinc/17/49/80/572174980.db2.gz GTRNETLYKHDQCC-UHFFFAOYSA-N 0 0 141.170 1.038 10 0 ADAERN CC[C@@H]1O[C@@H]1CCCCO 19060433 572174998 /nfs/dbraw/zinc/17/49/98/572174998.db2.gz OUVPDVHDVYVBBF-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCCC[C@H](C)N1CCC[C@@H]([NH3+])C1=O 70062394 572175005 /nfs/dbraw/zinc/17/50/05/572175005.db2.gz LSNDPAQEWGXSNA-VHSXEESVSA-N 0 0 198.310 1.515 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+]CCC#N 19062406 572175065 /nfs/dbraw/zinc/17/50/65/572175065.db2.gz OPPRXLKKCUAYBH-SFYZADRCSA-N 0 0 138.214 1.288 10 0 ADAERN CC(=O)[C@H](C)N1CCO[C@H]2CCC[C@@H]21 43426308 572175089 /nfs/dbraw/zinc/17/50/89/572175089.db2.gz RLUNCMQUHDSYEC-LSJOCFKGSA-N 0 0 197.278 1.217 10 0 ADAERN CCCCN1C(=O)NC(=O)[C@@]1(C)CC 70064781 572175207 /nfs/dbraw/zinc/17/52/07/572175207.db2.gz PFGWZASLLKAKKR-SNVBAGLBSA-N 0 0 198.266 1.507 10 0 ADAERN CC(C)C[C@@H](C)N1C[C@H](CO)CC1=O 70053344 572175134 /nfs/dbraw/zinc/17/51/34/572175134.db2.gz NYMBAJJPWJNKND-NXEZZACHSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@H](C)[C@H](C)N1C[C@H](CO)CC1=O 70054316 572175210 /nfs/dbraw/zinc/17/52/10/572175210.db2.gz AEEJCWQEENTBNY-LPEHRKFASA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)CCCN1C[C@H](CO)CC1=O 70053925 572175198 /nfs/dbraw/zinc/17/51/98/572175198.db2.gz GQWJHRLVDYESLG-SNVBAGLBSA-N 0 0 199.294 1.263 10 0 ADAERN CC[S@@](=O)Nc1nc(C)co1 687789303 572175201 /nfs/dbraw/zinc/17/52/01/572175201.db2.gz WTJLMVQMSDSCTN-LLVKDONJSA-N 0 0 174.225 1.079 10 0 ADAERN CCCC[C@@H](C)N1C[C@H](CO)CC1=O 70053548 572175293 /nfs/dbraw/zinc/17/52/93/572175293.db2.gz FJXQFSQXGOXUPK-NXEZZACHSA-N 0 0 199.294 1.406 10 0 ADAERN CC[C@@H](O)COc1ccccc1C=O 37688919 572175331 /nfs/dbraw/zinc/17/53/31/572175331.db2.gz KQYAHSDFZNLPJD-SNVBAGLBSA-N 0 0 194.230 1.649 10 0 ADAERN CC[C@@H](O)COc1ccccc1CO 37689063 572175338 /nfs/dbraw/zinc/17/53/38/572175338.db2.gz BBDALQDTUFRKJG-SNVBAGLBSA-N 0 0 196.246 1.329 10 0 ADAERN CCn1ccc(C)c1C=O 19040773 572175358 /nfs/dbraw/zinc/17/53/58/572175358.db2.gz XRMMFMHBVROCCI-UHFFFAOYSA-N 0 0 137.182 1.629 10 0 ADAERN CCOC[C@H](CCC1CC1)NN 229282386 572175393 /nfs/dbraw/zinc/17/53/93/572175393.db2.gz GSASQZHAKJUYGK-VIFPVBQESA-N 0 0 172.272 1.045 10 0 ADAERN C[C@H](O)COc1cccc(C=O)c1 37687971 572175420 /nfs/dbraw/zinc/17/54/20/572175420.db2.gz URRASUNXULPLDJ-QMMMGPOBSA-N 0 0 180.203 1.259 10 0 ADAERN CC(C)CCCN1C[C@@H](CO)CC1=O 70053927 572175422 /nfs/dbraw/zinc/17/54/22/572175422.db2.gz GQWJHRLVDYESLG-JTQLQIEISA-N 0 0 199.294 1.263 10 0 ADAERN O=C1CC2[C@H]3C[C@H]3C1[C@@H]1C[C@H]21 19034742 572175492 /nfs/dbraw/zinc/17/54/92/572175492.db2.gz VQMHZMUNCLAVKX-SROWZVPBSA-N 0 0 148.205 1.477 10 0 ADAERN CC[S@@](=O)NCc1cccc(C)n1 687789137 572175494 /nfs/dbraw/zinc/17/54/94/572175494.db2.gz AGLLKHYAFVWZFF-CYBMUJFWSA-N 0 0 198.291 1.163 10 0 ADAERN CC[C@@H](O)CNc1ccc(OC)nc1 37688319 572175499 /nfs/dbraw/zinc/17/54/99/572175499.db2.gz CVTBSKURSDBNHU-SECBINFHSA-N 0 0 196.250 1.273 10 0 ADAERN CC(C)CCCN1CCC[C@H]([NH3+])C1=O 70061548 572175451 /nfs/dbraw/zinc/17/54/51/572175451.db2.gz AJRRNGLIUCJPSH-JTQLQIEISA-N 0 0 198.310 1.372 10 0 ADAERN CCCC[C@@H](C)N1CCC[C@@H]([NH3+])C1=O 70062393 572175457 /nfs/dbraw/zinc/17/54/57/572175457.db2.gz LSNDPAQEWGXSNA-NXEZZACHSA-N 0 0 198.310 1.515 10 0 ADAERN CC[S@](=O)NCCc1ccccc1 687789225 572175548 /nfs/dbraw/zinc/17/55/48/572175548.db2.gz GHLGEBSDFJHQFR-ZDUSSCGKSA-N 0 0 197.303 1.502 10 0 ADAERN CCCCCCN1CCC[C@@H]([NH3+])C1=O 70062558 572175665 /nfs/dbraw/zinc/17/56/65/572175665.db2.gz CLLLWGFVYPOUCF-SNVBAGLBSA-N 0 0 198.310 1.516 10 0 ADAERN CC(C)C[C@@H](C)N1C[C@@H](CO)CC1=O 70053354 572175562 /nfs/dbraw/zinc/17/55/62/572175562.db2.gz NYMBAJJPWJNKND-ZJUUUORDSA-N 0 0 199.294 1.262 10 0 ADAERN C/C=C\CN[S@](=O)C(C)C 687789317 572175784 /nfs/dbraw/zinc/17/57/84/572175784.db2.gz 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/nfs/dbraw/zinc/17/80/84/572178084.db2.gz QISHSDGHXMCZRY-OJOKCITNSA-N 0 0 146.189 1.564 10 0 ADAERN Cc1n[nH]cc1OC1CC1 19142060 572178087 /nfs/dbraw/zinc/17/80/87/572178087.db2.gz VLFSHWNMCLGMDH-UHFFFAOYSA-N 0 0 138.170 1.259 10 0 ADAERN C[C@H](NN)[C@@H](C)c1ccccc1 19167994 572178116 /nfs/dbraw/zinc/17/81/16/572178116.db2.gz BLDGYEZXOBPPJX-BDAKNGLRSA-N 0 0 164.252 1.642 10 0 ADAERN CC[C@H](O)[C@H](O)c1ccc(C)s1 234072211 572178144 /nfs/dbraw/zinc/17/81/44/572178144.db2.gz JBVTUMJCBFMJAT-CBAPKCEASA-N 0 0 186.276 1.861 10 0 ADAERN CCC[C@H](C)N[C@]1(C)CCOC1=O 388666973 572178219 /nfs/dbraw/zinc/17/82/19/572178219.db2.gz WWJDXBDAHLEWTN-WCBMZHEXSA-N 0 0 185.267 1.470 10 0 ADAERN CC[C@H](C)C[C@@H](C)NN 19168800 572178255 /nfs/dbraw/zinc/17/82/55/572178255.db2.gz XWVLKNMLLKJFON-NKWVEPMBSA-N 0 0 130.235 1.274 10 0 ADAERN COc1ccc([C@H](O)CCO)cc1C 71507301 572178321 /nfs/dbraw/zinc/17/83/21/572178321.db2.gz RRIOELOOAFOPIL-SNVBAGLBSA-N 0 0 196.246 1.419 10 0 ADAERN Nc1cnc(-c2cscn2)s1 84344160 572179386 /nfs/dbraw/zinc/17/93/86/572179386.db2.gz NIAZIMTXEVBRJD-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN CCCCC[C@@H](C)NN 19168058 572178384 /nfs/dbraw/zinc/17/83/84/572178384.db2.gz QASRWQHUFYVGQC-SSDOTTSWSA-N 0 0 130.235 1.419 10 0 ADAERN C[NH2+]Cc1ccc(OC)c(C)c1OC 71507152 572178394 /nfs/dbraw/zinc/17/83/94/572178394.db2.gz UDZIBXJVWAEKGB-UHFFFAOYSA-N 0 0 195.262 1.732 10 0 ADAERN Cc1ccc(NC(C)(C)CO)c(N)c1 35600041 572178421 /nfs/dbraw/zinc/17/84/21/572178421.db2.gz QVKHWWAMMRSCFY-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN CCn1nncc1C(=O)[C@H](C)C1CC1 300962930 572178446 /nfs/dbraw/zinc/17/84/46/572178446.db2.gz YQDNMDFNZYDKOO-SSDOTTSWSA-N 0 0 193.250 1.527 10 0 ADAERN CC[C@@H](O)COc1cccc(F)c1 37695824 572178516 /nfs/dbraw/zinc/17/85/16/572178516.db2.gz XQAMKENTJINHAY-SECBINFHSA-N 0 0 184.210 1.975 10 0 ADAERN C[C@@H](c1ccccc1)[C@@H](C)NN 19167989 572178555 /nfs/dbraw/zinc/17/85/55/572178555.db2.gz BLDGYEZXOBPPJX-RKDXNWHRSA-N 0 0 164.252 1.642 10 0 ADAERN 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ADAERN CC[C@H](O)COc1ccc(F)cc1 37695642 572178805 /nfs/dbraw/zinc/17/88/05/572178805.db2.gz YQYQLGGQILCUNX-VIFPVBQESA-N 0 0 184.210 1.975 10 0 ADAERN CC[C@@H](C)C[C@@H](C)NN 19168799 572178902 /nfs/dbraw/zinc/17/89/02/572178902.db2.gz XWVLKNMLLKJFON-RNFRBKRXSA-N 0 0 130.235 1.274 10 0 ADAERN CC[C@@H]1N[C@H](C)N([C@@H]2C[C@@H]2CC)C1=O 300383602 572178942 /nfs/dbraw/zinc/17/89/42/572178942.db2.gz LIJDFIHYKNPMFP-AATLWQCWSA-N 0 0 196.294 1.341 10 0 ADAERN CC[C@@H](C)C[C@H](C)NN 19168802 572178982 /nfs/dbraw/zinc/17/89/82/572178982.db2.gz XWVLKNMLLKJFON-RQJHMYQMSA-N 0 0 130.235 1.274 10 0 ADAERN CC[C@@H](CO)Nc1ccc(F)cc1N 35599977 572178991 /nfs/dbraw/zinc/17/89/91/572178991.db2.gz NQOHXBLTHNQWCG-QMMMGPOBSA-N 0 0 198.241 1.591 10 0 ADAERN CC[C@@H]1N[C@H](C)N([C@H]2C[C@H]2CC)C1=O 300383603 572179055 /nfs/dbraw/zinc/17/90/55/572179055.db2.gz LIJDFIHYKNPMFP-JXUBOQSCSA-N 0 0 196.294 1.341 10 0 ADAERN CCC(=O)[C@H](C)OCC1CC1 82948385 572180068 /nfs/dbraw/zinc/18/00/68/572180068.db2.gz GKKLCDCCUHTBHL-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)(O)COc1ccccc1CO 37692460 572179191 /nfs/dbraw/zinc/17/91/91/572179191.db2.gz IMWKAMRBWVEKRO-UHFFFAOYSA-N 0 0 196.246 1.329 10 0 ADAERN CC(C)(O)COc1cccc(CO)c1 37692457 572179212 /nfs/dbraw/zinc/17/92/12/572179212.db2.gz BGSRIFPNJICDOS-UHFFFAOYSA-N 0 0 196.246 1.329 10 0 ADAERN C[C@@H]1C[C@H]1c1nccn1C 19116950 572179275 /nfs/dbraw/zinc/17/92/75/572179275.db2.gz KTZMXHAYAOTUMH-RNFRBKRXSA-N 0 0 136.198 1.544 10 0 ADAERN C[NH2+]Cc1ccccc1OC[C@H](C)O 37702404 572179282 /nfs/dbraw/zinc/17/92/82/572179282.db2.gz UEYFEXFURDYGJP-VIFPVBQESA-N 0 0 195.262 1.166 10 0 ADAERN C[C@@H]1C[C@@H]1c1nccn1C 19116945 572179287 /nfs/dbraw/zinc/17/92/87/572179287.db2.gz KTZMXHAYAOTUMH-RQJHMYQMSA-N 0 0 136.198 1.544 10 0 ADAERN CC[C@H](CO)Nc1ccc(C)cc1N 35599944 572179305 /nfs/dbraw/zinc/17/93/05/572179305.db2.gz ZNLHYALNZJBYDD-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN C[C@H]1C[C@@H]1c1nccn1C 19116948 572179306 /nfs/dbraw/zinc/17/93/06/572179306.db2.gz KTZMXHAYAOTUMH-BQBZGAKWSA-N 0 0 136.198 1.544 10 0 ADAERN CC[C@@H](CO)Nc1ccc(N)cc1F 35599962 572179351 /nfs/dbraw/zinc/17/93/51/572179351.db2.gz WGMRBOMQPWIGEO-QMMMGPOBSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@H](NN)[C@H](C)c1ccccc1 19167997 572179375 /nfs/dbraw/zinc/17/93/75/572179375.db2.gz BLDGYEZXOBPPJX-IUCAKERBSA-N 0 0 164.252 1.642 10 0 ADAERN CCc1ccn2c(N)c(C)[nH+]c2c1 84332948 572179377 /nfs/dbraw/zinc/17/93/77/572179377.db2.gz UUXJEXOVEXGGNE-UHFFFAOYSA-N 0 0 175.235 1.787 10 0 ADAERN CC[C@H](O)[C@H](O)c1cc(C)ccc1F 234071755 572179405 /nfs/dbraw/zinc/17/94/05/572179405.db2.gz HTKNQFFYXHKIGW-WDEREUQCSA-N 0 0 198.237 1.938 10 0 ADAERN COC(=O)CCSCC(C)(C)O 37697341 572179454 /nfs/dbraw/zinc/17/94/54/572179454.db2.gz QERMIWCVJJXZAI-UHFFFAOYSA-N 0 0 192.280 1.054 10 0 ADAERN COCCS[C@@H]1CCCC[C@H]1O 37697031 572179467 /nfs/dbraw/zinc/17/94/67/572179467.db2.gz GLHUAVAGDGYDAN-RKDXNWHRSA-N 0 0 190.308 1.670 10 0 ADAERN CC[C@H](O)[C@H](O)c1ccncc1F 234073153 572179505 /nfs/dbraw/zinc/17/95/05/572179505.db2.gz WDIOPFCNZDKOLB-DTWKUNHWSA-N 0 0 185.198 1.025 10 0 ADAERN CC[C@H](CO)Nc1ccc(N)cc1F 35599964 572179515 /nfs/dbraw/zinc/17/95/15/572179515.db2.gz WGMRBOMQPWIGEO-MRVPVSSYSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@H](Cc1ccccc1Cl)NN 19168706 572179472 /nfs/dbraw/zinc/17/94/72/572179472.db2.gz COINVRBAZJCGDB-SSDOTTSWSA-N 0 0 184.670 1.734 10 0 ADAERN CC[C@H](O)[C@H](O)c1sccc1C 234073689 572179549 /nfs/dbraw/zinc/17/95/49/572179549.db2.gz OOLSYXMLDYSMSF-YUMQZZPRSA-N 0 0 186.276 1.861 10 0 ADAERN CCC(=O)[C@@H](C)OCCOC 82948358 572180797 /nfs/dbraw/zinc/18/07/97/572180797.db2.gz CDYROTDNFBACKV-SSDOTTSWSA-N 0 0 160.213 1.017 10 0 ADAERN CC[C@H](O)COc1ccccc1F 37695358 572179691 /nfs/dbraw/zinc/17/96/91/572179691.db2.gz VADCGOQDNHVRMC-QMMMGPOBSA-N 0 0 184.210 1.975 10 0 ADAERN CC[C@@H]1N[C@H](C)N([C@@H]2C[C@H]2CC)C1=O 300383604 572179735 /nfs/dbraw/zinc/17/97/35/572179735.db2.gz LIJDFIHYKNPMFP-QCLAVDOMSA-N 0 0 196.294 1.341 10 0 ADAERN CC[C@@H](O)COc1ccc(F)cc1 37695644 572179766 /nfs/dbraw/zinc/17/97/66/572179766.db2.gz YQYQLGGQILCUNX-SECBINFHSA-N 0 0 184.210 1.975 10 0 ADAERN COCCS[C@H]1CCCC[C@H]1O 37697032 572179783 /nfs/dbraw/zinc/17/97/83/572179783.db2.gz GLHUAVAGDGYDAN-BDAKNGLRSA-N 0 0 190.308 1.670 10 0 ADAERN CC[C@H](CO)Nc1ccc(F)cc1N 35599979 572179788 /nfs/dbraw/zinc/17/97/88/572179788.db2.gz NQOHXBLTHNQWCG-MRVPVSSYSA-N 0 0 198.241 1.591 10 0 ADAERN CCC(=O)[C@@H](C)N(C)CC(F)(F)F 82946930 572179800 /nfs/dbraw/zinc/17/98/00/572179800.db2.gz HXPPVBWEXPSOIW-ZCFIWIBFSA-N 0 0 197.200 1.848 10 0 ADAERN CC[C@H](O)[C@H](O)[C@@H]1CCC[C@@H](C)C1 234070978 572179827 /nfs/dbraw/zinc/17/98/27/572179827.db2.gz UPUMMSOXNUUWHM-CHWFTXMASA-N 0 0 186.295 1.945 10 0 ADAERN CCC(=O)[C@@H](C)Sc1nc[nH]n1 82948633 572179829 /nfs/dbraw/zinc/17/98/29/572179829.db2.gz HVTLBLRZBIXXTM-RXMQYKEDSA-N 0 0 185.252 1.264 10 0 ADAERN CC[C@H](O)COc1cccc(F)c1 37695823 572179839 /nfs/dbraw/zinc/17/98/39/572179839.db2.gz XQAMKENTJINHAY-VIFPVBQESA-N 0 0 184.210 1.975 10 0 ADAERN CC(C)N(Cc1ncon1)C1CC1 687790286 572179847 /nfs/dbraw/zinc/17/98/47/572179847.db2.gz YETAPPVBOIVKSV-UHFFFAOYSA-N 0 0 181.239 1.442 10 0 ADAERN Cc1ccc(CCNN)c(C)c1 19166936 572179854 /nfs/dbraw/zinc/17/98/54/572179854.db2.gz YYKLGXIREJKVBQ-UHFFFAOYSA-N 0 0 164.252 1.309 10 0 ADAERN C/C=C/C(=O)O[C@H](C)C(=O)OCC 388667036 572179872 /nfs/dbraw/zinc/17/98/72/572179872.db2.gz WXACEVZGZMHTNR-PTYLAXBQSA-N 0 0 186.207 1.057 10 0 ADAERN COCCS[C@@H]1CCCC[C@@H]1O 37697029 572179883 /nfs/dbraw/zinc/17/98/83/572179883.db2.gz GLHUAVAGDGYDAN-DTWKUNHWSA-N 0 0 190.308 1.670 10 0 ADAERN CCn1nncc1[C@@H](O)CC1CC1 300962979 572179884 /nfs/dbraw/zinc/17/98/84/572179884.db2.gz YQHXDOWJMDJYIK-VIFPVBQESA-N 0 0 181.239 1.132 10 0 ADAERN CCC(=O)[C@H](C)n1ccnc1CC 82947923 572179885 /nfs/dbraw/zinc/17/98/85/572179885.db2.gz VJJXTNKPAJZFAH-QMMMGPOBSA-N 0 0 180.251 1.986 10 0 ADAERN CC(C)(O)COc1cccc(C=O)c1 37692385 572179915 /nfs/dbraw/zinc/17/99/15/572179915.db2.gz QKYUXQIZUVDKKW-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN CCC(=O)[C@@H](C)OCCOC(C)C 82948369 572179941 /nfs/dbraw/zinc/17/99/41/572179941.db2.gz MUQIIXZJDGVLNH-SECBINFHSA-N 0 0 188.267 1.796 10 0 ADAERN CCC(=O)[C@H](C)N1CCO[C@H](CC)C1 82946860 572179944 /nfs/dbraw/zinc/17/99/44/572179944.db2.gz DEBALXJNMHHLFZ-VHSXEESVSA-N 0 0 199.294 1.465 10 0 ADAERN CCn1nncc1C(=O)CCC(C)C 300962925 572179970 /nfs/dbraw/zinc/17/99/70/572179970.db2.gz YQBZURCEBWVASV-UHFFFAOYSA-N 0 0 195.266 1.917 10 0 ADAERN OCCCNc1cc(F)ccc1F 43444124 572179991 /nfs/dbraw/zinc/17/99/91/572179991.db2.gz YSBYNYNNLYFAIR-UHFFFAOYSA-N 0 0 187.189 1.759 10 0 ADAERN C1CCN(N2CCCC2)C1 19170107 572180011 /nfs/dbraw/zinc/18/00/11/572180011.db2.gz QGRRJTQMMXJUNP-UHFFFAOYSA-N 0 0 140.230 1.093 10 0 ADAERN C[C@H]1C[C@H]1c1nccn1C 19116953 572180039 /nfs/dbraw/zinc/18/00/39/572180039.db2.gz KTZMXHAYAOTUMH-NKWVEPMBSA-N 0 0 136.198 1.544 10 0 ADAERN CC[C@H](O)COc1ccccc1C[NH3+] 37698949 572180074 /nfs/dbraw/zinc/18/00/74/572180074.db2.gz FFWLTGWXLKKOSI-JTQLQIEISA-N 0 0 195.262 1.295 10 0 ADAERN CN(C)N(C)C(C)(C)C 19170256 572180143 /nfs/dbraw/zinc/18/01/43/572180143.db2.gz ZXDALXOGBYDGKZ-UHFFFAOYSA-N 0 0 130.235 1.193 10 0 ADAERN Cc1ccnn1CC1CC1 19139212 572180124 /nfs/dbraw/zinc/18/01/24/572180124.db2.gz GRUJKRXECNHFGE-UHFFFAOYSA-N 0 0 136.198 1.602 10 0 ADAERN CCC(=O)[C@H](C)OC[C@@H]1CCCO1 82948317 572180267 /nfs/dbraw/zinc/18/02/67/572180267.db2.gz YMEROVDMMDPWFB-IUCAKERBSA-N 0 0 186.251 1.550 10 0 ADAERN CC[C@@H](O)COc1ccccc1C[NH3+] 37698950 572180298 /nfs/dbraw/zinc/18/02/98/572180298.db2.gz FFWLTGWXLKKOSI-SNVBAGLBSA-N 0 0 195.262 1.295 10 0 ADAERN Cn1ccc(C2([NH3+])CCSCC2)n1 84361498 572180307 /nfs/dbraw/zinc/18/03/07/572180307.db2.gz FGNYUVABYVMIRB-UHFFFAOYSA-N 0 0 197.307 1.101 10 0 ADAERN CCOCCO[C@@H](C)C(=O)CC 82948324 572180324 /nfs/dbraw/zinc/18/03/24/572180324.db2.gz PNKHEUKIMGHBIX-QMMMGPOBSA-N 0 0 174.240 1.407 10 0 ADAERN CC[C@H](O)[C@H]1CCC[C@@H](OC)C1 234074481 572180345 /nfs/dbraw/zinc/18/03/45/572180345.db2.gz PQAPNJCZKXHRAX-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](O)c1ccccc1-n1cccn1 35650569 572180375 /nfs/dbraw/zinc/18/03/75/572180375.db2.gz KWIINUAHDATTML-VIFPVBQESA-N 0 0 188.230 1.926 10 0 ADAERN CCC(=O)[C@@H](C)OC[C@H]1CCCO1 82948319 572180376 /nfs/dbraw/zinc/18/03/76/572180376.db2.gz YMEROVDMMDPWFB-RKDXNWHRSA-N 0 0 186.251 1.550 10 0 ADAERN CCC(=O)[C@@H](C)OCC(F)(F)F 82948398 572180388 /nfs/dbraw/zinc/18/03/88/572180388.db2.gz YORATMLXWKGDNU-RXMQYKEDSA-N 0 0 184.157 1.933 10 0 ADAERN CCC(=O)[C@H](C)OC[C@H]1CCCO1 82948321 572180430 /nfs/dbraw/zinc/18/04/30/572180430.db2.gz YMEROVDMMDPWFB-DTWKUNHWSA-N 0 0 186.251 1.550 10 0 ADAERN Cc1ccc(CSCCO)o1 35611629 572180434 /nfs/dbraw/zinc/18/04/34/572180434.db2.gz MSSFJHYDWHJCRT-UHFFFAOYSA-N 0 0 172.249 1.814 10 0 ADAERN Cc1cc(C)n2nc(Cl)cc2n1 35635934 572180438 /nfs/dbraw/zinc/18/04/38/572180438.db2.gz HSWXPFRLSVHBMG-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN CCCCCC(=O)Nc1ncc[nH]1 70152879 572180460 /nfs/dbraw/zinc/18/04/60/572180460.db2.gz BXBNYQIKTIPWKA-UHFFFAOYSA-N 0 0 181.239 1.350 10 0 ADAERN OCCSCc1cccs1 35611762 572180479 /nfs/dbraw/zinc/18/04/79/572180479.db2.gz FDASRHCBCWYWLT-UHFFFAOYSA-N 0 0 174.290 1.974 10 0 ADAERN CC[C@H](O)[C@H]1CCCC[C@@H]1OC 234074374 572180486 /nfs/dbraw/zinc/18/04/86/572180486.db2.gz XZKWBLPHIIYMHX-UTLUCORTSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](O)[C@H](O)c1cnccc1C 234073361 572180581 /nfs/dbraw/zinc/18/05/81/572180581.db2.gz ISBFTSZFJGUYNY-VHSXEESVSA-N 0 0 181.235 1.194 10 0 ADAERN CCC(=O)[C@H](C)N1CCO[C@@H](CC)C1 82946862 572180607 /nfs/dbraw/zinc/18/06/07/572180607.db2.gz DEBALXJNMHHLFZ-UWVGGRQHSA-N 0 0 199.294 1.465 10 0 ADAERN CCOCC(=O)CCCOC(C)C 689404319 572180610 /nfs/dbraw/zinc/18/06/10/572180610.db2.gz LYMYYDJXLVSUPB-UHFFFAOYSA-N 0 0 188.267 1.797 10 0 ADAERN CC(C)CN(C)c1ccnn1C 687790271 572180770 /nfs/dbraw/zinc/18/07/70/572180770.db2.gz BYKSHXBOPGSRKC-UHFFFAOYSA-N 0 0 167.256 1.512 10 0 ADAERN CCCNC(=O)c1c(C)cccc1N 19258404 572180845 /nfs/dbraw/zinc/18/08/45/572180845.db2.gz WOKJKYDGAMAGCP-UHFFFAOYSA-N 0 0 192.262 1.717 10 0 ADAERN CCCCCCC(=O)Nc1ncc[nH]1 70152882 572180871 /nfs/dbraw/zinc/18/08/71/572180871.db2.gz WOHTZJPPKIKXAD-UHFFFAOYSA-N 0 0 195.266 1.741 10 0 ADAERN C[C@H]([C@H]1CCCCO1)[C@H](O)C1CC1 711901462 572180893 /nfs/dbraw/zinc/18/08/93/572180893.db2.gz QYOSMMOPYJWWAZ-IEBDPFPHSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@H]([C@@H]1CCCCO1)[C@@H](O)C1CC1 711901453 572181318 /nfs/dbraw/zinc/18/13/18/572181318.db2.gz QYOSMMOPYJWWAZ-DVVUODLYSA-N 0 0 184.279 1.963 10 0 ADAERN CC[C@H](O)[C@H]1CC1(C)C 234074223 572180942 /nfs/dbraw/zinc/18/09/42/572180942.db2.gz LCVUMFPPRFJBOT-RQJHMYQMSA-N 0 0 128.215 1.803 10 0 ADAERN CCC(=O)[C@H](C)SCCOC 82948570 572180951 /nfs/dbraw/zinc/18/09/51/572180951.db2.gz DMFDXWOOVNDLRH-ZETCQYMHSA-N 0 0 176.281 1.734 10 0 ADAERN C[C@H](O)c1ccccc1-n1ccnc1 35650573 572180963 /nfs/dbraw/zinc/18/09/63/572180963.db2.gz OYGPZFIKXLGZRX-VIFPVBQESA-N 0 0 188.230 1.926 10 0 ADAERN CCOCCO[C@H](C)C(=O)CC 82948322 572181004 /nfs/dbraw/zinc/18/10/04/572181004.db2.gz PNKHEUKIMGHBIX-MRVPVSSYSA-N 0 0 174.240 1.407 10 0 ADAERN CC(C)N(C)c1ncccc1C[NH3+] 19258730 572181047 /nfs/dbraw/zinc/18/10/47/572181047.db2.gz KYXPRCLUCRSDNV-UHFFFAOYSA-N 0 0 179.267 1.385 10 0 ADAERN CN(C)[C@H]1COc2ccccc2[C@H]1[NH3+] 19265736 572181064 /nfs/dbraw/zinc/18/10/64/572181064.db2.gz XMRDVUGAUHRTSM-GXSJLCMTSA-N 0 0 192.262 1.009 10 0 ADAERN CCC(=O)[C@@H](C)n1ccnc1CC 82947924 572181074 /nfs/dbraw/zinc/18/10/74/572181074.db2.gz VJJXTNKPAJZFAH-MRVPVSSYSA-N 0 0 180.251 1.986 10 0 ADAERN CN(CCCCO)c1cccc(N)c1 43445835 572181177 /nfs/dbraw/zinc/18/11/77/572181177.db2.gz ZXEKKCVKSIBYQM-UHFFFAOYSA-N 0 0 194.278 1.478 10 0 ADAERN CCC(=O)[C@H](C)OC1CCOCC1 82948645 572181199 /nfs/dbraw/zinc/18/11/99/572181199.db2.gz DNLXLYNQRSFJBZ-QMMMGPOBSA-N 0 0 186.251 1.550 10 0 ADAERN CCC(=O)[C@H](C)OCCOC 82948360 572181202 /nfs/dbraw/zinc/18/12/02/572181202.db2.gz CDYROTDNFBACKV-ZETCQYMHSA-N 0 0 160.213 1.017 10 0 ADAERN CC(=O)CCSc1nnc(C)n1C 70130834 572181208 /nfs/dbraw/zinc/18/12/08/572181208.db2.gz SRNFRZKKORFXDI-UHFFFAOYSA-N 0 0 199.279 1.195 10 0 ADAERN CCCc1noc([C@@H](C)NCC)n1 70131103 572181225 /nfs/dbraw/zinc/18/12/25/572181225.db2.gz XLAIWNZLIHUXEK-SSDOTTSWSA-N 0 0 183.255 1.693 10 0 ADAERN Cc1ccc(C)n1CC(=O)N(C)C 35651147 572181248 /nfs/dbraw/zinc/18/12/48/572181248.db2.gz BDGVYENRYQIFKU-UHFFFAOYSA-N 0 0 180.251 1.193 10 0 ADAERN Cc1ccoc1-c1nnc(N)o1 19278698 572181288 /nfs/dbraw/zinc/18/12/88/572181288.db2.gz BZWQKAOQEHZNNS-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN CCCc1noc([C@H](C)NCC)n1 70131105 572181539 /nfs/dbraw/zinc/18/15/39/572181539.db2.gz XLAIWNZLIHUXEK-ZETCQYMHSA-N 0 0 183.255 1.693 10 0 ADAERN CCC(=O)[C@@H](C)OCC1CC1 82948384 572181448 /nfs/dbraw/zinc/18/14/48/572181448.db2.gz GKKLCDCCUHTBHL-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@@H](CCc1ccccc1)C(N)=O 112932526 572181457 /nfs/dbraw/zinc/18/14/57/572181457.db2.gz UBWWKWFLWOAAAE-VIFPVBQESA-N 0 0 177.247 1.741 10 0 ADAERN OCCCNc1c(F)cccc1F 43444144 572181507 /nfs/dbraw/zinc/18/15/07/572181507.db2.gz IGPQGYUJGJGBEP-UHFFFAOYSA-N 0 0 187.189 1.759 10 0 ADAERN CCC(=O)[C@@H](C)OC[C@@H]1CCOC1 82948647 572181512 /nfs/dbraw/zinc/18/15/12/572181512.db2.gz JGNYDOPALVBFAQ-RKDXNWHRSA-N 0 0 186.251 1.407 10 0 ADAERN CCO[C@H]1COc2ccccc2[C@@H]1[NH3+] 19279941 572181513 /nfs/dbraw/zinc/18/15/13/572181513.db2.gz DPLTYJFSSBYSQE-QWRGUYRKSA-N 0 0 193.246 1.484 10 0 ADAERN COC(=O)[C@H](C)Nc1ccc(C)cn1 35661060 572181516 /nfs/dbraw/zinc/18/15/16/572181516.db2.gz AMPYCHTXTKRKOJ-QMMMGPOBSA-N 0 0 194.234 1.363 10 0 ADAERN CCC(=O)[C@H](C)N1CCOC[C@@H]1CC 82946913 572181653 /nfs/dbraw/zinc/18/16/53/572181653.db2.gz QNFGILDNNKIHPB-UWVGGRQHSA-N 0 0 199.294 1.465 10 0 ADAERN CC[C@H](NN)c1cnc(OC)s1 393347487 572181624 /nfs/dbraw/zinc/18/16/24/572181624.db2.gz GXASGUCGNIDJRF-YFKPBYRVSA-N 0 0 187.268 1.066 10 0 ADAERN C/C=C/COc1ncc(CO)s1 393347015 572181672 /nfs/dbraw/zinc/18/16/72/572181672.db2.gz IGYSATMDTAQZQD-NSCUHMNNSA-N 0 0 185.248 1.590 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccc(C)cn1 35661061 572181730 /nfs/dbraw/zinc/18/17/30/572181730.db2.gz AMPYCHTXTKRKOJ-MRVPVSSYSA-N 0 0 194.234 1.363 10 0 ADAERN CCC(=O)[C@H](C)OCC(F)(F)F 82948400 572181733 /nfs/dbraw/zinc/18/17/33/572181733.db2.gz YORATMLXWKGDNU-YFKPBYRVSA-N 0 0 184.157 1.933 10 0 ADAERN C[C@H](O)Cc1cc2cc[nH]c2o1 84286685 572181808 /nfs/dbraw/zinc/18/18/08/572181808.db2.gz PXHADZNSFUXCLC-LURJTMIESA-N 0 0 165.192 1.684 10 0 ADAERN Cc1ccc(-c2nc(N)n[nH]2)cc1F 19278076 572181828 /nfs/dbraw/zinc/18/18/28/572181828.db2.gz OJTYZXWFABEZOI-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN Cc1nc(C)c(C)c(C[C@@H](C)O)n1 84288178 572181848 /nfs/dbraw/zinc/18/18/48/572181848.db2.gz IHJDVTFVKYNRIY-ZCFIWIBFSA-N 0 0 180.251 1.325 10 0 ADAERN CCCNC(=O)CCSC(F)F 393347138 572181925 /nfs/dbraw/zinc/18/19/25/572181925.db2.gz ISWCLMNVHUNFTR-UHFFFAOYSA-N 0 0 197.250 1.859 10 0 ADAERN COCCCC[C@]1(O)CCCOC1 686327615 572181944 /nfs/dbraw/zinc/18/19/44/572181944.db2.gz UICKJDXZXVWSLI-JTQLQIEISA-N 0 0 188.267 1.345 10 0 ADAERN CCO[C@@H]1Cc2ccccc2[C@H]1[NH3+] 19262359 572181965 /nfs/dbraw/zinc/18/19/65/572181965.db2.gz PHYNVHIEAINECF-GHMZBOCLSA-N 0 0 177.247 1.648 10 0 ADAERN CC(C)CCNCC(=O)OC(C)C 43446150 572182033 /nfs/dbraw/zinc/18/20/33/572182033.db2.gz DQRISEBFXWYLJX-UHFFFAOYSA-N 0 0 187.283 1.574 10 0 ADAERN C/C=C\COc1ncc(CO)s1 393347010 572182050 /nfs/dbraw/zinc/18/20/50/572182050.db2.gz IGYSATMDTAQZQD-IHWYPQMZSA-N 0 0 185.248 1.590 10 0 ADAERN Nc1nc2occc2s1 84225992 572182078 /nfs/dbraw/zinc/18/20/78/572182078.db2.gz SUKVINJJSXYWQV-UHFFFAOYSA-N 0 0 140.167 1.472 10 0 ADAERN C[C@H]1C[C@H](C)CN(C(N)=S)C1 19258207 572182092 /nfs/dbraw/zinc/18/20/92/572182092.db2.gz FRKUVXFNQLQQIH-BQBZGAKWSA-N 0 0 172.297 1.208 10 0 ADAERN O=C1CCC[C@H]1[C@H](O)C(F)(F)F 35784275 572182100 /nfs/dbraw/zinc/18/21/00/572182100.db2.gz CFZHRYAJFMFWTR-XINAWCOVSA-N 0 0 182.141 1.279 10 0 ADAERN COCCCC[C@@]1(O)CCCOC1 686327617 572182110 /nfs/dbraw/zinc/18/21/10/572182110.db2.gz UICKJDXZXVWSLI-SNVBAGLBSA-N 0 0 188.267 1.345 10 0 ADAERN C[C@H]1C[C@@H](C)CN(C(N)=S)C1 19258205 572182114 /nfs/dbraw/zinc/18/21/14/572182114.db2.gz FRKUVXFNQLQQIH-KNVOCYPGSA-N 0 0 172.297 1.208 10 0 ADAERN CCC[C@@H](C)[C@@H](O)c1cnn(C)c1 70168989 572182117 /nfs/dbraw/zinc/18/21/17/572182117.db2.gz BTONIEVLSXOARD-PSASIEDQSA-N 0 0 182.267 1.890 10 0 ADAERN CN(C)[C@H]1COc2ccccc2[C@@H]1[NH3+] 19265732 572182132 /nfs/dbraw/zinc/18/21/32/572182132.db2.gz XMRDVUGAUHRTSM-ONGXEEELSA-N 0 0 192.262 1.009 10 0 ADAERN CC[C@@H](C)Oc1ccc(N)c(OC)n1 37715598 572182253 /nfs/dbraw/zinc/18/22/53/572182253.db2.gz NGNMDSOXGIZFBO-SSDOTTSWSA-N 0 0 196.250 1.850 10 0 ADAERN CCn1nncc1[C@H]([NH3+])[C@H](C)C1CC1 300964610 572182286 /nfs/dbraw/zinc/18/22/86/572182286.db2.gz YWIKFKDCQGAGAP-GMSGAONNSA-N 0 0 194.282 1.344 10 0 ADAERN CCO[C@@H]1Cc2ccccc2[C@@H]1[NH3+] 19262355 572182303 /nfs/dbraw/zinc/18/23/03/572182303.db2.gz PHYNVHIEAINECF-MNOVXSKESA-N 0 0 177.247 1.648 10 0 ADAERN CCC(=O)[C@H](C)Sc1nc[nH]n1 82948634 572182322 /nfs/dbraw/zinc/18/23/22/572182322.db2.gz HVTLBLRZBIXXTM-YFKPBYRVSA-N 0 0 185.252 1.264 10 0 ADAERN CCC(=O)[C@@H](C)OCCCOC 82948602 572182325 /nfs/dbraw/zinc/18/23/25/572182325.db2.gz UEQYFMKHVQVPKZ-MRVPVSSYSA-N 0 0 174.240 1.407 10 0 ADAERN CCOC[C@@H](C)Nc1cnnn1CC 300965743 572182364 /nfs/dbraw/zinc/18/23/64/572182364.db2.gz QAYNWHLLDKSJEP-MRVPVSSYSA-N 0 0 198.270 1.135 10 0 ADAERN CCC(=O)[C@H](C)N(C)CC(F)(F)F 82946933 572182448 /nfs/dbraw/zinc/18/24/48/572182448.db2.gz HXPPVBWEXPSOIW-LURJTMIESA-N 0 0 197.200 1.848 10 0 ADAERN C[C@H]1COc2ccc(F)cc2[C@@H]1[NH3+] 35753469 572182452 /nfs/dbraw/zinc/18/24/52/572182452.db2.gz WQAMGVSLBXLWSB-QUBYGPBYSA-N 0 0 181.210 1.854 10 0 ADAERN CC(C)[N@H+](C)[C@H](C)CC(=O)[O-] 35751606 572182480 /nfs/dbraw/zinc/18/24/80/572182480.db2.gz AZUJVISYBPDTDK-SSDOTTSWSA-N 0 0 159.229 1.190 10 0 ADAERN CCC(=O)[C@H](C)OC[C@@H]1CCOC1 82948648 572182488 /nfs/dbraw/zinc/18/24/88/572182488.db2.gz JGNYDOPALVBFAQ-DTWKUNHWSA-N 0 0 186.251 1.407 10 0 ADAERN CCCOCCO[C@H](C)C(=O)CC 82954228 572183759 /nfs/dbraw/zinc/18/37/59/572183759.db2.gz NKBKNPRTMDXJTQ-SECBINFHSA-N 0 0 188.267 1.797 10 0 ADAERN CCC(=O)[C@H](C)N1CCOC[C@H]1CC 82946911 572182506 /nfs/dbraw/zinc/18/25/06/572182506.db2.gz QNFGILDNNKIHPB-VHSXEESVSA-N 0 0 199.294 1.465 10 0 ADAERN C[C@@H]([C@@H](O)C1CC1)[C@H]1CCCCO1 711901458 572182570 /nfs/dbraw/zinc/18/25/70/572182570.db2.gz QYOSMMOPYJWWAZ-FBIMIBRVSA-N 0 0 184.279 1.963 10 0 ADAERN OCCCNc1cccc(F)c1F 43444207 572182601 /nfs/dbraw/zinc/18/26/01/572182601.db2.gz VILLVLSZHUUDJC-UHFFFAOYSA-N 0 0 187.189 1.759 10 0 ADAERN CCC[C@H](C)[C@@H](O)c1cnn(C)c1 70168990 572182630 /nfs/dbraw/zinc/18/26/30/572182630.db2.gz BTONIEVLSXOARD-WCBMZHEXSA-N 0 0 182.267 1.890 10 0 ADAERN CCn1nncc1[C@H]([NH3+])[C@@H](C)C1CC1 300964614 572182677 /nfs/dbraw/zinc/18/26/77/572182677.db2.gz YWIKFKDCQGAGAP-OIBJUYFYSA-N 0 0 194.282 1.344 10 0 ADAERN CCCCN(CC)C(N)=S 19276782 572183774 /nfs/dbraw/zinc/18/37/74/572183774.db2.gz NZRGTWQCVZAEEI-UHFFFAOYSA-N 0 0 160.286 1.352 10 0 ADAERN CCC[S@](=O)[C@@H](C)C(=O)CC 82954402 572183775 /nfs/dbraw/zinc/18/37/75/572183775.db2.gz KGFYRVOCZAFQPY-WRWORJQWSA-N 0 0 176.281 1.513 10 0 ADAERN CNC(=O)CCCNc1ccccc1 70168936 572182756 /nfs/dbraw/zinc/18/27/56/572182756.db2.gz NUVVNHQPDZTSLX-UHFFFAOYSA-N 0 0 192.262 1.625 10 0 ADAERN CC(C)[NH2+]Cc1cn2ccccc2n1 19266224 572182783 /nfs/dbraw/zinc/18/27/83/572182783.db2.gz ZPWMHDVYULECLI-UHFFFAOYSA-N 0 0 189.262 1.832 10 0 ADAERN CCCC[C@@H](O)c1cnn(C)c1 70168968 572182792 /nfs/dbraw/zinc/18/27/92/572182792.db2.gz FWXZBONRIYHKNZ-SECBINFHSA-N 0 0 168.240 1.644 10 0 ADAERN CC[C@@H](C)Nc1ncccc1C(N)=O 19232075 572182831 /nfs/dbraw/zinc/18/28/31/572182831.db2.gz QYNOXULCUVMKFF-SSDOTTSWSA-N 0 0 193.250 1.391 10 0 ADAERN CCC(=O)[C@H](C)OCCOC(C)C 82948371 572182846 /nfs/dbraw/zinc/18/28/46/572182846.db2.gz MUQIIXZJDGVLNH-VIFPVBQESA-N 0 0 188.267 1.796 10 0 ADAERN CCC(=O)[C@@H](C)SCCOC 82948568 572182850 /nfs/dbraw/zinc/18/28/50/572182850.db2.gz DMFDXWOOVNDLRH-SSDOTTSWSA-N 0 0 176.281 1.734 10 0 ADAERN O=C1[C@H]2CC[C@@H]1Cc1cocc1C2 35784207 572182872 /nfs/dbraw/zinc/18/28/72/572182872.db2.gz AKKYRCOBUMJGSQ-OCAPTIKFSA-N 0 0 176.215 1.974 10 0 ADAERN OCCc1cc2ncoc2s1 84283931 572182888 /nfs/dbraw/zinc/18/28/88/572182888.db2.gz MXHWSFLTDQPKIP-UHFFFAOYSA-N 0 0 169.205 1.424 10 0 ADAERN C[C@H]([C@@H]1CCCCO1)[C@H](O)C1CC1 711901466 572182939 /nfs/dbraw/zinc/18/29/39/572182939.db2.gz QYOSMMOPYJWWAZ-MIMYLULJSA-N 0 0 184.279 1.963 10 0 ADAERN CCO[C@H]1Cc2ccccc2[C@H]1[NH3+] 19262362 572183093 /nfs/dbraw/zinc/18/30/93/572183093.db2.gz PHYNVHIEAINECF-WDEREUQCSA-N 0 0 177.247 1.648 10 0 ADAERN CC(=O)CCOC1CCOCC1 70162227 572183101 /nfs/dbraw/zinc/18/31/01/572183101.db2.gz LZQXVQNOOKDHOA-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN C[C@H](CCc1ccccc1)C(N)=O 112932528 572183105 /nfs/dbraw/zinc/18/31/05/572183105.db2.gz UBWWKWFLWOAAAE-SECBINFHSA-N 0 0 177.247 1.741 10 0 ADAERN CN(C)[C@@H]1COc2ccccc2[C@H]1[NH3+] 19265734 572183131 /nfs/dbraw/zinc/18/31/31/572183131.db2.gz XMRDVUGAUHRTSM-MWLCHTKSSA-N 0 0 192.262 1.009 10 0 ADAERN CCc1ccc(C(=O)N(C)OC)o1 70154725 572183146 /nfs/dbraw/zinc/18/31/46/572183146.db2.gz YUXZYBZFVXISCC-UHFFFAOYSA-N 0 0 183.207 1.475 10 0 ADAERN C[C@@H]1CSC(Nc2cnn(C)c2)=N1 35738130 572183161 /nfs/dbraw/zinc/18/31/61/572183161.db2.gz ZRLLPOYDYOZUNV-ZCFIWIBFSA-N 0 0 196.279 1.323 10 0 ADAERN CC[C@H](C)Oc1ccc(N)c(OC)n1 37715599 572183209 /nfs/dbraw/zinc/18/32/09/572183209.db2.gz NGNMDSOXGIZFBO-ZETCQYMHSA-N 0 0 196.250 1.850 10 0 ADAERN C[C@H]1CSC(Nc2cnn(C)c2)=N1 35738131 572183222 /nfs/dbraw/zinc/18/32/22/572183222.db2.gz ZRLLPOYDYOZUNV-LURJTMIESA-N 0 0 196.279 1.323 10 0 ADAERN CCC[C@H](C)[C@H](O)c1cnn(C)c1 70168988 572183231 /nfs/dbraw/zinc/18/32/31/572183231.db2.gz BTONIEVLSXOARD-WPRPVWTQSA-N 0 0 182.267 1.890 10 0 ADAERN C[C@@H]1CC(=O)n2cccc21 35784028 572183269 /nfs/dbraw/zinc/18/32/69/572183269.db2.gz AXKMMUMGVVJEAC-ZCFIWIBFSA-N 0 0 135.166 1.636 10 0 ADAERN C[C@@H]1C[C@@H](C)CN(C(N)=S)C1 19258203 572183284 /nfs/dbraw/zinc/18/32/84/572183284.db2.gz FRKUVXFNQLQQIH-RNFRBKRXSA-N 0 0 172.297 1.208 10 0 ADAERN Cn1cc(C2(O)CCCC2)cn1 43461787 572183291 /nfs/dbraw/zinc/18/32/91/572183291.db2.gz VATXAWGHTZYEMD-UHFFFAOYSA-N 0 0 166.224 1.182 10 0 ADAERN CCCC(CCC)NN 19280485 572183321 /nfs/dbraw/zinc/18/33/21/572183321.db2.gz MKWAKKIFRXHDLT-UHFFFAOYSA-N 0 0 130.235 1.419 10 0 ADAERN CCCC[S@@](=O)[C@@H](C)C(=O)CC 82954437 572183340 /nfs/dbraw/zinc/18/33/40/572183340.db2.gz OPIPGBUVVMMABU-UFBFGSQYSA-N 0 0 190.308 1.903 10 0 ADAERN CCO[C@H]1COc2ccccc2[C@H]1[NH3+] 19279945 572183347 /nfs/dbraw/zinc/18/33/47/572183347.db2.gz DPLTYJFSSBYSQE-WDEREUQCSA-N 0 0 193.246 1.484 10 0 ADAERN C[C@]12CCC[C@@]1(CO)CCC(=O)C2 35784290 572183355 /nfs/dbraw/zinc/18/33/55/572183355.db2.gz WLDXVEBUTIRSMN-MNOVXSKESA-N 0 0 182.263 1.908 10 0 ADAERN COc1ccc(F)cc1C(=O)CCO 71507672 572183415 /nfs/dbraw/zinc/18/34/15/572183415.db2.gz VRBWTSWQULWUCL-UHFFFAOYSA-N 0 0 198.193 1.399 10 0 ADAERN Cc1ccc(-c2nc(N)n[nH]2)cc1O 19281789 572183463 /nfs/dbraw/zinc/18/34/63/572183463.db2.gz HAFHJJXPTWFOAK-UHFFFAOYSA-N 0 0 190.206 1.068 10 0 ADAERN CCCC[N@H+](C)[C@@H](C)CC(=O)[O-] 35751840 572183472 /nfs/dbraw/zinc/18/34/72/572183472.db2.gz UVWVNERALGBKIM-QMMMGPOBSA-N 0 0 173.256 1.582 10 0 ADAERN CCn1nncc1[C@@H]([NH3+])[C@@H](C)C1CC1 300964619 572184648 /nfs/dbraw/zinc/18/46/48/572184648.db2.gz YWIKFKDCQGAGAP-XVKPBYJWSA-N 0 0 194.282 1.344 10 0 ADAERN CCCCC1=C[C@H]2C(=O)NC(=O)[C@@H]12 35784243 572183565 /nfs/dbraw/zinc/18/35/65/572183565.db2.gz GOVBMLSPHQRVLH-SFYZADRCSA-N 0 0 179.219 1.005 10 0 ADAERN CCOC(=O)[C@H]1CCc2c(C)c[nH]c21 35784443 572183579 /nfs/dbraw/zinc/18/35/79/572183579.db2.gz AZQDCJZPLMYVMK-VIFPVBQESA-N 0 0 193.246 1.916 10 0 ADAERN CCC(=O)[C@H](C)[S@@](=O)CC(C)C 82954426 572185175 /nfs/dbraw/zinc/18/51/75/572185175.db2.gz MMEVIKSGMPJHOS-QPUJVOFHSA-N 0 0 190.308 1.759 10 0 ADAERN COc1ccc(C(=O)CCO)cc1F 71507671 572183602 /nfs/dbraw/zinc/18/36/02/572183602.db2.gz WCVNBBQXENBHAJ-UHFFFAOYSA-N 0 0 198.193 1.399 10 0 ADAERN CN(C)[C@@H]1COc2ccccc2[C@@H]1[NH3+] 19265730 572183668 /nfs/dbraw/zinc/18/36/68/572183668.db2.gz XMRDVUGAUHRTSM-KOLCDFICSA-N 0 0 192.262 1.009 10 0 ADAERN CC1CCC(O)(c2cnn(C)c2)CC1 43461736 572183678 /nfs/dbraw/zinc/18/36/78/572183678.db2.gz MHWGZEBZHUOBAY-UHFFFAOYSA-N 0 0 194.278 1.818 10 0 ADAERN CCCC[S@@](=O)[C@H](C)C(=O)CC 82954439 572183692 /nfs/dbraw/zinc/18/36/92/572183692.db2.gz OPIPGBUVVMMABU-PELKAZGASA-N 0 0 190.308 1.903 10 0 ADAERN C/C=C/CO[C@H](C)C(=O)CC 82954197 572183709 /nfs/dbraw/zinc/18/37/09/572183709.db2.gz LYUHTPRDFJRVQC-YZCDNWJKSA-N 0 0 156.225 1.947 10 0 ADAERN CCC(=O)[C@H](C)Sc1ccncn1 82948937 572183726 /nfs/dbraw/zinc/18/37/26/572183726.db2.gz DKNKOBWRNPYACQ-ZETCQYMHSA-N 0 0 196.275 1.936 10 0 ADAERN CCC(=O)[C@H](C)[S@@](=O)C(C)(C)C 82954398 572183852 /nfs/dbraw/zinc/18/38/52/572183852.db2.gz UHDFJMVEMYXZOD-MADCSZMMSA-N 0 0 190.308 1.901 10 0 ADAERN C[C@@H]1CCC[C@@](O)(c2cnn(C)c2)C1 43461728 572183864 /nfs/dbraw/zinc/18/38/64/572183864.db2.gz QNUMRBAURPMFCQ-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@H]1CCC[C@@](O)(c2cnn(C)c2)C1 43461730 572183888 /nfs/dbraw/zinc/18/38/88/572183888.db2.gz QNUMRBAURPMFCQ-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN CCC(=O)[C@@H](C)[S@](=O)C(C)(C)C 82954399 572183924 /nfs/dbraw/zinc/18/39/24/572183924.db2.gz UHDFJMVEMYXZOD-JMCQJSRRSA-N 0 0 190.308 1.901 10 0 ADAERN CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H]1C)C(=O)[O-] 83043814 572186225 /nfs/dbraw/zinc/18/62/25/572186225.db2.gz QRLGRYHSJAKOAM-AATLWQCWSA-N 0 0 199.294 1.874 10 0 ADAERN CCCS(=O)(=O)[C@H](C)C(=O)CC 82954294 572183979 /nfs/dbraw/zinc/18/39/79/572183979.db2.gz HQLFCCUCDFOLNT-SSDOTTSWSA-N 0 0 192.280 1.179 10 0 ADAERN CCC(=O)[C@@H](C)OC[C@H]1CCOC1 82948650 572183993 /nfs/dbraw/zinc/18/39/93/572183993.db2.gz JGNYDOPALVBFAQ-BDAKNGLRSA-N 0 0 186.251 1.407 10 0 ADAERN Cc1noc(C)c1CNc1cn[nH]c1 35763597 572184031 /nfs/dbraw/zinc/18/40/31/572184031.db2.gz PURJYZMKDGCOBR-UHFFFAOYSA-N 0 0 192.222 1.627 10 0 ADAERN CO[C@H]1C(=O)c2ccccc2N1OC 35784433 572185186 /nfs/dbraw/zinc/18/51/86/572185186.db2.gz IXXUTSWQPHFMSO-JTQLQIEISA-N 0 0 193.202 1.223 10 0 ADAERN CCC(=O)[C@@H](C)O[C@@H](C)COC 82954235 572184059 /nfs/dbraw/zinc/18/40/59/572184059.db2.gz LEOJYRFQUBGZEK-JGVFFNPUSA-N 0 0 174.240 1.406 10 0 ADAERN CCC(=O)[C@H](C)O[C@H]1CCOC1 82954220 572184070 /nfs/dbraw/zinc/18/40/70/572184070.db2.gz HIQFERQTZOMABM-YUMQZZPRSA-N 0 0 172.224 1.160 10 0 ADAERN C[C@H](O)/C=C\c1cccc(O)c1 379339109 572184095 /nfs/dbraw/zinc/18/40/95/572184095.db2.gz XEHCRPMUQCZPMX-SLGIHZDVSA-N 0 0 164.204 1.786 10 0 ADAERN CCC(=O)[C@H](C)O[C@@H]1CCOC1 82954218 572184197 /nfs/dbraw/zinc/18/41/97/572184197.db2.gz HIQFERQTZOMABM-JGVFFNPUSA-N 0 0 172.224 1.160 10 0 ADAERN O=C([O-])/C=C1\CC[N@@H+]2CCC[C@@H]2C1 379339525 572184141 /nfs/dbraw/zinc/18/41/41/572184141.db2.gz JDIQTDOMBYIYBJ-FCZSHJHJSA-N 0 0 181.235 1.256 10 0 ADAERN CCC(=O)[C@@H](C)[S@@](=O)C(C)(C)C 82954397 572184181 /nfs/dbraw/zinc/18/41/81/572184181.db2.gz UHDFJMVEMYXZOD-KRTXAFLBSA-N 0 0 190.308 1.901 10 0 ADAERN C[C@@H](O)/C=C\c1cccc(O)c1 379339108 572184124 /nfs/dbraw/zinc/18/41/24/572184124.db2.gz XEHCRPMUQCZPMX-RPSMYOMKSA-N 0 0 164.204 1.786 10 0 ADAERN CNC(=O)/C=C\c1nc(C)cs1 379336767 572184136 /nfs/dbraw/zinc/18/41/36/572184136.db2.gz SFRCDYXVCGMIKU-ARJAWSKDSA-N 0 0 182.248 1.211 10 0 ADAERN O=C([O-])/C=C1\CC[N@@H+]2CCC[C@H]2C1 379339526 572184231 /nfs/dbraw/zinc/18/42/31/572184231.db2.gz JDIQTDOMBYIYBJ-FLOXNTQESA-N 0 0 181.235 1.256 10 0 ADAERN CCC[S@](=O)[C@H](C)C(=O)CC 82954404 572184254 /nfs/dbraw/zinc/18/42/54/572184254.db2.gz KGFYRVOCZAFQPY-RDDDGLTNSA-N 0 0 176.281 1.513 10 0 ADAERN CCC(=O)[C@H](C)[S@](=O)CC(C)C 82954428 572184256 /nfs/dbraw/zinc/18/42/56/572184256.db2.gz MMEVIKSGMPJHOS-UFBFGSQYSA-N 0 0 190.308 1.759 10 0 ADAERN C[C@H]1CN(C/C=C\Cl)CCC1=O 379339081 572184289 /nfs/dbraw/zinc/18/42/89/572184289.db2.gz WLOBJZVXGBSJJL-LTMVXPGCSA-N 0 0 187.670 1.650 10 0 ADAERN CCCC[C@H](O)c1cnn(C)c1 70168967 572184296 /nfs/dbraw/zinc/18/42/96/572184296.db2.gz FWXZBONRIYHKNZ-VIFPVBQESA-N 0 0 168.240 1.644 10 0 ADAERN C[C@@H]1CN(C/C=C\Cl)CCC1=O 379339080 572184315 /nfs/dbraw/zinc/18/43/15/572184315.db2.gz WLOBJZVXGBSJJL-DLRBJTRDSA-N 0 0 187.670 1.650 10 0 ADAERN CC(C)CC[NH2+]C[C@@H](C)C(=O)[O-] 35757834 572184339 /nfs/dbraw/zinc/18/43/39/572184339.db2.gz FWQHATANWPPFPR-MRVPVSSYSA-N 0 0 173.256 1.343 10 0 ADAERN CCCCC1=C[C@@H]2C(=O)NC(=O)[C@H]12 35784239 572184383 /nfs/dbraw/zinc/18/43/83/572184383.db2.gz GOVBMLSPHQRVLH-JGVFFNPUSA-N 0 0 179.219 1.005 10 0 ADAERN CCC(CC)[C@H](O)c1cnn(C)c1 70168977 572184385 /nfs/dbraw/zinc/18/43/85/572184385.db2.gz ZJCAZWCGLFNQOY-JTQLQIEISA-N 0 0 182.267 1.890 10 0 ADAERN CN=c1scc(C2(C)CC2)n1C 379339129 572184389 /nfs/dbraw/zinc/18/43/89/572184389.db2.gz XMHJLXMLPLOJJD-UHFFFAOYSA-N 0 0 182.292 1.669 10 0 ADAERN COCCCCC1(O)CCOCC1 686327779 572184398 /nfs/dbraw/zinc/18/43/98/572184398.db2.gz WKVKFOGIYLHRDH-UHFFFAOYSA-N 0 0 188.267 1.345 10 0 ADAERN CCC(=O)[C@@H](C)[S@](=O)CC(C)C 82954427 572184482 /nfs/dbraw/zinc/18/44/82/572184482.db2.gz MMEVIKSGMPJHOS-PELKAZGASA-N 0 0 190.308 1.759 10 0 ADAERN CCn1nncc1[C@@H]([NH3+])[C@H](C)C1CC1 300964615 572184525 /nfs/dbraw/zinc/18/45/25/572184525.db2.gz YWIKFKDCQGAGAP-XCBNKYQSSA-N 0 0 194.282 1.344 10 0 ADAERN CCC(=O)[C@@H](C)O[C@H]1CCOC1 82954219 572184542 /nfs/dbraw/zinc/18/45/42/572184542.db2.gz HIQFERQTZOMABM-SFYZADRCSA-N 0 0 172.224 1.160 10 0 ADAERN CCCC[N@H+](C)[C@H](C)CC(=O)[O-] 35751841 572184598 /nfs/dbraw/zinc/18/45/98/572184598.db2.gz UVWVNERALGBKIM-MRVPVSSYSA-N 0 0 173.256 1.582 10 0 ADAERN C[C@@H]1C(=O)Nc2cnccc21 35784331 572184615 /nfs/dbraw/zinc/18/46/15/572184615.db2.gz LISWKQXVSJFSMI-YFKPBYRVSA-N 0 0 148.165 1.137 10 0 ADAERN C/C=C/CO[C@@H](C)C(=O)CC 82954198 572184624 /nfs/dbraw/zinc/18/46/24/572184624.db2.gz LYUHTPRDFJRVQC-JQTRYQTASA-N 0 0 156.225 1.947 10 0 ADAERN CCC(=O)[C@@H](C)O[C@@H]1CCOC1 82954217 572184626 /nfs/dbraw/zinc/18/46/26/572184626.db2.gz HIQFERQTZOMABM-HTQZYQBOSA-N 0 0 172.224 1.160 10 0 ADAERN CCC[S@@](=O)[C@@H](C)C(=O)CC 82954401 572184647 /nfs/dbraw/zinc/18/46/47/572184647.db2.gz KGFYRVOCZAFQPY-CPCISQLKSA-N 0 0 176.281 1.513 10 0 ADAERN CCC(=O)[C@H](C)[S@](=O)C(C)(C)C 82954400 572184662 /nfs/dbraw/zinc/18/46/62/572184662.db2.gz UHDFJMVEMYXZOD-JVXZTZIISA-N 0 0 190.308 1.901 10 0 ADAERN CC(C)OCCC(N)=S 19423116 572184755 /nfs/dbraw/zinc/18/47/55/572184755.db2.gz QNHQJVUOPSCPIA-UHFFFAOYSA-N 0 0 147.243 1.088 10 0 ADAERN CCNC(=O)CCn1nc(C)cc1C 70162546 572184801 /nfs/dbraw/zinc/18/48/01/572184801.db2.gz BYNLYGPDSZMVOL-UHFFFAOYSA-N 0 0 195.266 1.026 10 0 ADAERN COC(=O)/C=C/[C@H](O)C1CCCC1 34725574 572184816 /nfs/dbraw/zinc/18/48/16/572184816.db2.gz JIECTPGZRBFIMS-UCUJLANTSA-N 0 0 184.235 1.267 10 0 ADAERN CCOC(=O)[C@@H]1CCc2c(C)c[nH]c21 35784441 572184903 /nfs/dbraw/zinc/18/49/03/572184903.db2.gz AZQDCJZPLMYVMK-SECBINFHSA-N 0 0 193.246 1.916 10 0 ADAERN CCCC[S@](=O)[C@@H](C)C(=O)CC 82954438 572184933 /nfs/dbraw/zinc/18/49/33/572184933.db2.gz OPIPGBUVVMMABU-QPUJVOFHSA-N 0 0 190.308 1.903 10 0 ADAERN CCCOCCO[C@@H](C)C(=O)CC 82954227 572184937 /nfs/dbraw/zinc/18/49/37/572184937.db2.gz NKBKNPRTMDXJTQ-VIFPVBQESA-N 0 0 188.267 1.797 10 0 ADAERN COC(=O)/C=C/[C@@H](O)C1CCCC1 34725577 572184981 /nfs/dbraw/zinc/18/49/81/572184981.db2.gz JIECTPGZRBFIMS-XCODYQFDSA-N 0 0 184.235 1.267 10 0 ADAERN CCC(=O)[C@@H](C)Sc1cnn(C)c1 82948832 572184986 /nfs/dbraw/zinc/18/49/86/572184986.db2.gz KDPOAOJDALSOOF-SSDOTTSWSA-N 0 0 198.291 1.880 10 0 ADAERN CCC(=O)[C@H](C)O[C@@H](C)COC 82954236 572185008 /nfs/dbraw/zinc/18/50/08/572185008.db2.gz LEOJYRFQUBGZEK-YUMQZZPRSA-N 0 0 174.240 1.406 10 0 ADAERN BrNNc1cccnc1 725327542 572185032 /nfs/dbraw/zinc/18/50/32/572185032.db2.gz ILBFWTZGOBCKLY-UHFFFAOYSA-N 0 0 188.028 1.308 10 0 ADAERN C[C@@H]1COc2ccc(F)cc2[C@@H]1[NH3+] 35753466 572185063 /nfs/dbraw/zinc/18/50/63/572185063.db2.gz WQAMGVSLBXLWSB-LHLIQPBNSA-N 0 0 181.210 1.854 10 0 ADAERN CCC(CC)[C@@H](O)c1cnn(C)c1 70168978 572185135 /nfs/dbraw/zinc/18/51/35/572185135.db2.gz ZJCAZWCGLFNQOY-SNVBAGLBSA-N 0 0 182.267 1.890 10 0 ADAERN CC1=CC[C@H](C)[C@@H](O)[C@@]1(C)O 35784129 572185204 /nfs/dbraw/zinc/18/52/04/572185204.db2.gz PJGABDHSZYKJIV-ZQARSLAVSA-N 0 0 156.225 1.084 10 0 ADAERN CCC[C@@H](C)[C@H](O)c1cnn(C)c1 70168987 572185241 /nfs/dbraw/zinc/18/52/41/572185241.db2.gz BTONIEVLSXOARD-SCZZXKLOSA-N 0 0 182.267 1.890 10 0 ADAERN CCC(=O)[C@H](C)OC[C@H]1CCOC1 82948652 572185258 /nfs/dbraw/zinc/18/52/58/572185258.db2.gz JGNYDOPALVBFAQ-IUCAKERBSA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)[N@H+](C)[C@@H](C)CC(=O)[O-] 35751604 572185262 /nfs/dbraw/zinc/18/52/62/572185262.db2.gz AZUJVISYBPDTDK-ZETCQYMHSA-N 0 0 159.229 1.190 10 0 ADAERN COCCCOCCCC(C)=O 37747516 572185273 /nfs/dbraw/zinc/18/52/73/572185273.db2.gz VNRFUUKXTKCACM-UHFFFAOYSA-N 0 0 174.240 1.409 10 0 ADAERN CCOc1ccc(C(=O)CO)cc1F 71507673 572185327 /nfs/dbraw/zinc/18/53/27/572185327.db2.gz BZMPAMCBJGWNHL-UHFFFAOYSA-N 0 0 198.193 1.399 10 0 ADAERN C[C@H]1CCC[C@](O)(c2cnn(C)c2)C1 43461726 572185331 /nfs/dbraw/zinc/18/53/31/572185331.db2.gz QNUMRBAURPMFCQ-GXSJLCMTSA-N 0 0 194.278 1.818 10 0 ADAERN CCC(=O)[C@@H](C)Sc1ccncn1 82948936 572185421 /nfs/dbraw/zinc/18/54/21/572185421.db2.gz DKNKOBWRNPYACQ-SSDOTTSWSA-N 0 0 196.275 1.936 10 0 ADAERN COCCCOc1cccc(C)c1N 37753367 572185443 /nfs/dbraw/zinc/18/54/43/572185443.db2.gz ZKVAGGYHXNTNQB-UHFFFAOYSA-N 0 0 195.262 1.993 10 0 ADAERN CCCCNC(=O)[C@H]1CCC[C@H](C)[NH2+]1 19483997 572185461 /nfs/dbraw/zinc/18/54/61/572185461.db2.gz GIBYPJJKZFITNT-VHSXEESVSA-N 0 0 198.310 1.433 10 0 ADAERN CSC(=O)[C@H](C)C(C)=O 35874366 572185465 /nfs/dbraw/zinc/18/54/65/572185465.db2.gz XGAMRIUQLHKNAB-SCSAIBSYSA-N 0 0 146.211 1.101 10 0 ADAERN CO[C@@H]([C@@H](N)C(F)F)C(C)(C)C 687791655 572185488 /nfs/dbraw/zinc/18/54/88/572185488.db2.gz PIKBNGMSUDCWSM-RITPCOANSA-N 0 0 181.226 1.640 10 0 ADAERN O=C(CCCCF)[C@H]1CCCO1 393349013 572185492 /nfs/dbraw/zinc/18/54/92/572185492.db2.gz POUJUTYYNCBLMU-SECBINFHSA-N 0 0 174.215 1.874 10 0 ADAERN CC(=O)[C@]1(Cl)CCCC1=O 35803399 572185496 /nfs/dbraw/zinc/18/54/96/572185496.db2.gz YCRGKUGCTVGKPY-SSDOTTSWSA-N 0 0 160.600 1.306 10 0 ADAERN CCC(=O)[C@@H](C)O[C@H](C)COC 82954237 572185503 /nfs/dbraw/zinc/18/55/03/572185503.db2.gz LEOJYRFQUBGZEK-HTQZYQBOSA-N 0 0 174.240 1.406 10 0 ADAERN COCCCO[C@@H](C)C(C)=O 37747531 572185526 /nfs/dbraw/zinc/18/55/26/572185526.db2.gz WMSAUIFUWXUBPL-QMMMGPOBSA-N 0 0 160.213 1.017 10 0 ADAERN CCCS(=O)(=O)[C@@H](C)C(=O)CC 82954293 572185550 /nfs/dbraw/zinc/18/55/50/572185550.db2.gz HQLFCCUCDFOLNT-ZETCQYMHSA-N 0 0 192.280 1.179 10 0 ADAERN C[C@@H]1CCC[C@](O)(c2cnn(C)c2)C1 43461724 572185562 /nfs/dbraw/zinc/18/55/62/572185562.db2.gz QNUMRBAURPMFCQ-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN CC(C)C[C@H](C)CN1CC(=O)NC1=O 300967171 572185627 /nfs/dbraw/zinc/18/56/27/572185627.db2.gz RRJUBOCRHMLKRM-QMMMGPOBSA-N 0 0 198.266 1.220 10 0 ADAERN C[C@@H]1[C@@H]2[C@@H](O)OC[C@@]21c1ccccc1 35882025 572185826 /nfs/dbraw/zinc/18/58/26/572185826.db2.gz IRLSVQOXRBDACL-KXGXSXBTSA-N 0 0 190.242 1.539 10 0 ADAERN Cc1cc(N)cc(N(C)CCCO)c1 300965157 572185656 /nfs/dbraw/zinc/18/56/56/572185656.db2.gz IRLUZGDLPSLQBV-UHFFFAOYSA-N 0 0 194.278 1.396 10 0 ADAERN CCC(=O)[C@H](C)O[C@H](C)COC 82954238 572185663 /nfs/dbraw/zinc/18/56/63/572185663.db2.gz LEOJYRFQUBGZEK-SFYZADRCSA-N 0 0 174.240 1.406 10 0 ADAERN CN(C)C(=O)[S@@](=O)c1ccccc1 205602553 572185712 /nfs/dbraw/zinc/18/57/12/572185712.db2.gz HZBULXKXMUSMNE-ZDUSSCGKSA-N 0 0 197.259 1.476 10 0 ADAERN COCCCOCc1ccccc1N 37746928 572185746 /nfs/dbraw/zinc/18/57/46/572185746.db2.gz OXFNAXZZPAGTST-UHFFFAOYSA-N 0 0 195.262 1.822 10 0 ADAERN COCCCSc1ccc(N)cn1 37753896 572185764 /nfs/dbraw/zinc/18/57/64/572185764.db2.gz MXCHGZHHYVAHFG-UHFFFAOYSA-N 0 0 198.291 1.792 10 0 ADAERN CCCC[S@](=O)[C@H](C)C(=O)CC 82954440 572185765 /nfs/dbraw/zinc/18/57/65/572185765.db2.gz OPIPGBUVVMMABU-PRHODGIISA-N 0 0 190.308 1.903 10 0 ADAERN CCC[S@@](=O)[C@H](C)C(=O)CC 82954403 572185776 /nfs/dbraw/zinc/18/57/76/572185776.db2.gz KGFYRVOCZAFQPY-HQJQHLMTSA-N 0 0 176.281 1.513 10 0 ADAERN CC/C=C(/C)C(=O)N[C@@H](C)CF 393349152 572185780 /nfs/dbraw/zinc/18/57/80/572185780.db2.gz NCMDMDKCODFQTF-TVSKSKRASA-N 0 0 173.231 1.817 10 0 ADAERN COCCCOCCC(C)=O 37747492 572185783 /nfs/dbraw/zinc/18/57/83/572185783.db2.gz LWMFUNUKXTUUGH-UHFFFAOYSA-N 0 0 160.213 1.019 10 0 ADAERN CCCCNC(=O)[C@@H]1CCC[C@H](C)[NH2+]1 19483995 572185785 /nfs/dbraw/zinc/18/57/85/572185785.db2.gz GIBYPJJKZFITNT-UWVGGRQHSA-N 0 0 198.310 1.433 10 0 ADAERN Cc1c[nH]c(C(=O)c2cc[nH]n2)c1C 687791334 572185787 /nfs/dbraw/zinc/18/57/87/572185787.db2.gz PRBMOJDZLDZWFL-UHFFFAOYSA-N 0 0 189.218 1.586 10 0 ADAERN O[C@H]1C=C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]12 35822484 572185814 /nfs/dbraw/zinc/18/58/14/572185814.db2.gz SIRXYHBXRXZGJQ-SQQIUAQRSA-N 0 0 148.205 1.355 10 0 ADAERN COc1cc2c(cn1)NC(=O)C2(C)C 35904664 572185935 /nfs/dbraw/zinc/18/59/35/572185935.db2.gz XOFSHTATZKIKCT-UHFFFAOYSA-N 0 0 192.218 1.320 10 0 ADAERN C[C@@H](NN(C)C)C(C)(C)C 687791557 572185944 /nfs/dbraw/zinc/18/59/44/572185944.db2.gz YPVXEKRKUJQIPX-SSDOTTSWSA-N 0 0 144.262 1.487 10 0 ADAERN CCn1nccc1[C@H]1CC[C@@H](O)[C@@H]1C 83035830 572185948 /nfs/dbraw/zinc/18/59/48/572185948.db2.gz LRMSTSMPAKJXAH-WCABBAIRSA-N 0 0 194.278 1.777 10 0 ADAERN C[C@H]1[C@@H](O)CC[C@@H]1c1cncnc1 83036131 572185976 /nfs/dbraw/zinc/18/59/76/572185976.db2.gz ICMFYLXKNXGKEW-JEZHCXPESA-N 0 0 178.235 1.351 10 0 ADAERN c1ccn2c(c1)nc1ncccc12 35904580 572185985 /nfs/dbraw/zinc/18/59/85/572185985.db2.gz FXZHBPJCHFJXIA-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN O=C1CC[C@@H](CC(=O)c2ccco2)N1 35923657 572185989 /nfs/dbraw/zinc/18/59/89/572185989.db2.gz CPYKXNTXHHYFKD-ZETCQYMHSA-N 0 0 193.202 1.131 10 0 ADAERN Cc1cc2c(o1)CCC2=O 35923512 572186022 /nfs/dbraw/zinc/18/60/22/572186022.db2.gz ITQXPHKVQQLUQK-UHFFFAOYSA-N 0 0 136.150 1.717 10 0 ADAERN C=C(OC)C(=O)Nc1ccccc1 35881945 572186034 /nfs/dbraw/zinc/18/60/34/572186034.db2.gz FANUNTYUYWEPJX-UHFFFAOYSA-N 0 0 177.203 1.785 10 0 ADAERN C[C@H](NN(C)C)C(C)(C)C 687791558 572186050 /nfs/dbraw/zinc/18/60/50/572186050.db2.gz YPVXEKRKUJQIPX-ZETCQYMHSA-N 0 0 144.262 1.487 10 0 ADAERN CO[C@@H](c1ccccc1O)[C@@H](C)O 35881972 572186055 /nfs/dbraw/zinc/18/60/55/572186055.db2.gz LXOKVRBBIOTEIV-GMSGAONNSA-N 0 0 182.219 1.461 10 0 ADAERN C[C@H]1CC[C@H]([NH2+]CCC(=O)[O-])[C@@H]1C 83042869 572186057 /nfs/dbraw/zinc/18/60/57/572186057.db2.gz FDNQJWGNTKSUOJ-YIZRAAEISA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1CC[C@H]([NH2+]CCCC(=O)[O-])[C@@H]1C 83043637 572186094 /nfs/dbraw/zinc/18/60/94/572186094.db2.gz BMRQBYCOTDMSNL-AEJSXWLSSA-N 0 0 199.294 1.875 10 0 ADAERN FC(F)(F)C1=CCCO1 43463931 572186106 /nfs/dbraw/zinc/18/61/06/572186106.db2.gz AOPNWBPOQSTUJZ-UHFFFAOYSA-N 0 0 138.088 1.853 10 0 ADAERN CC1(C)Oc2c(N)cccc2NC1=O 35882037 572186107 /nfs/dbraw/zinc/18/61/07/572186107.db2.gz LGMDKLDEFOTVON-UHFFFAOYSA-N 0 0 192.218 1.378 10 0 ADAERN Cc1nnc(-c2ccccc2)n1C 35837200 572186114 /nfs/dbraw/zinc/18/61/14/572186114.db2.gz IAVFEAKBMKTNGS-UHFFFAOYSA-N 0 0 173.219 1.791 10 0 ADAERN CCn1cc(C(=O)C2CC2)cn1 43468172 572186119 /nfs/dbraw/zinc/18/61/19/572186119.db2.gz DXXOMXXZVCUFGW-UHFFFAOYSA-N 0 0 164.208 1.496 10 0 ADAERN OCc1cnc(C[C@@H]2C[C@@H]2C2CC2)o1 712922355 572186128 /nfs/dbraw/zinc/18/61/28/572186128.db2.gz DORGIAQOPWHCEO-WCBMZHEXSA-N 0 0 193.246 1.756 10 0 ADAERN CCOC(=O)/C=C/Cn1cccn1 83119965 572186130 /nfs/dbraw/zinc/18/61/30/572186130.db2.gz FGPOIAAJRFNGPZ-HWKANZROSA-N 0 0 180.207 1.002 10 0 ADAERN C[C@H]1CC[C@@H]([NH2+]CC(=O)[O-])[C@@H]1C 83042958 572186141 /nfs/dbraw/zinc/18/61/41/572186141.db2.gz WIRZBERITPIRRF-XLPZGREQSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@H]1[C@@H](O)CC[C@@H]1c1nccn1C 83035500 572186146 /nfs/dbraw/zinc/18/61/46/572186146.db2.gz ARGPVHCIKYTWKY-VGMNWLOBSA-N 0 0 180.251 1.295 10 0 ADAERN CCCCC(=O)C[C@H](C)O 35854867 572186155 /nfs/dbraw/zinc/18/61/55/572186155.db2.gz BLXXTONMZKDTPX-ZETCQYMHSA-N 0 0 144.214 1.517 10 0 ADAERN Cc1cccc(C)c1OCC(N)=S 19485069 572186156 /nfs/dbraw/zinc/18/61/56/572186156.db2.gz VIURMVJIDQYCIA-UHFFFAOYSA-N 0 0 195.287 1.968 10 0 ADAERN Cc1cnc(-c2c[nH]cn2)cn1 35923543 572186158 /nfs/dbraw/zinc/18/61/58/572186158.db2.gz OYJYXBORXKEMMQ-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN C[C@@H](CO)N(O)c1ccccc1 35854923 572186167 /nfs/dbraw/zinc/18/61/67/572186167.db2.gz GHNKVZGBFSLVSW-QMMMGPOBSA-N 0 0 167.208 1.263 10 0 ADAERN C1CC(c2noc(CNC3CC3)n2)C1 83120023 572186182 /nfs/dbraw/zinc/18/61/82/572186182.db2.gz XTAMHAFELRVOAM-UHFFFAOYSA-N 0 0 193.250 1.589 10 0 ADAERN CCCCNC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 19483993 572186201 /nfs/dbraw/zinc/18/62/01/572186201.db2.gz GIBYPJJKZFITNT-NXEZZACHSA-N 0 0 198.310 1.433 10 0 ADAERN CC(=O)CC(=O)N[C@H]1CC[C@@H](C)[C@H]1C 83044080 572186239 /nfs/dbraw/zinc/18/62/39/572186239.db2.gz WPTACMACPWYORT-QNSHHTMESA-N 0 0 197.278 1.516 10 0 ADAERN Cc1oc(C(C)(C)C)[n+]([O-])c1C 35837175 572186252 /nfs/dbraw/zinc/18/62/52/572186252.db2.gz BJITXDQJOXDCHM-UHFFFAOYSA-N 0 0 169.224 1.827 10 0 ADAERN COCCC[C@@H]1CC[C@H](O)[C@H]1C 83035715 572186255 /nfs/dbraw/zinc/18/62/55/572186255.db2.gz QQAWMRHMCMYGJH-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)C[C@@H](C)CN1CC(=O)NC1=O 300967170 572186269 /nfs/dbraw/zinc/18/62/69/572186269.db2.gz RRJUBOCRHMLKRM-MRVPVSSYSA-N 0 0 198.266 1.220 10 0 ADAERN CCOC(=O)CN[C@H]1CC[C@H](C)[C@@H]1C 83043301 572186270 /nfs/dbraw/zinc/18/62/70/572186270.db2.gz QUSMXCPEYUVDHH-GUBZILKMSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1cc([C@H](O)CCC2CC2)nn1C 300965487 572186274 /nfs/dbraw/zinc/18/62/74/572186274.db2.gz WCSCECURWGVAHJ-LLVKDONJSA-N 0 0 194.278 1.952 10 0 ADAERN COCCCOCc1cccc(N)c1 37746927 572186283 /nfs/dbraw/zinc/18/62/83/572186283.db2.gz ITNCJRTZYAVSKU-UHFFFAOYSA-N 0 0 195.262 1.822 10 0 ADAERN O=C1N=NC[C@@H](c2ccccc2)N1 35803430 572186297 /nfs/dbraw/zinc/18/62/97/572186297.db2.gz UNGQAVANJOAXKO-QMMMGPOBSA-N 0 0 175.191 1.026 10 0 ADAERN OCc1cc2cc(O)ccc2cc1O 35882021 572186302 /nfs/dbraw/zinc/18/63/02/572186302.db2.gz NIFFHCDRULXWNC-UHFFFAOYSA-N 0 0 190.198 1.743 10 0 ADAERN COCCCOCCCC(N)=S 37747361 572186315 /nfs/dbraw/zinc/18/63/15/572186315.db2.gz BEDFZRCWXVFJAW-UHFFFAOYSA-N 0 0 191.296 1.106 10 0 ADAERN C[C@@H]1CC[C@@H]([NH2+]CCCC(=O)[O-])[C@@H]1C 83043642 572186320 /nfs/dbraw/zinc/18/63/20/572186320.db2.gz BMRQBYCOTDMSNL-OPRDCNLKSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H]1CC[C@@H]([NH2+]CCC(=O)[O-])[C@@H]1C 83042873 572186325 /nfs/dbraw/zinc/18/63/25/572186325.db2.gz FDNQJWGNTKSUOJ-IWSPIJDZSA-N 0 0 185.267 1.485 10 0 ADAERN CCC(=O)C[C@H]1C[C@]1(O)CC 35923539 572186327 /nfs/dbraw/zinc/18/63/27/572186327.db2.gz JHLOCMPDCURRFJ-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN COCCCOc1cccc(O)c1 37754094 572186347 /nfs/dbraw/zinc/18/63/47/572186347.db2.gz RENZHISKGQJKKE-UHFFFAOYSA-N 0 0 182.219 1.808 10 0 ADAERN CO[C@@H]([C@H](N)C(F)F)C(C)(C)C 687791656 572186352 /nfs/dbraw/zinc/18/63/52/572186352.db2.gz PIKBNGMSUDCWSM-WDSKDSINSA-N 0 0 181.226 1.640 10 0 ADAERN CCn1ccnc1[C@H]1CC[C@H](O)[C@@H]1C 83036626 572186364 /nfs/dbraw/zinc/18/63/64/572186364.db2.gz QVZNYEMMTUMZKO-UTLUCORTSA-N 0 0 194.278 1.777 10 0 ADAERN FC(F)c1ncnc2[nH]cnc12 35803414 572186370 /nfs/dbraw/zinc/18/63/70/572186370.db2.gz MAYQYIJRWRSCQV-UHFFFAOYSA-N 0 0 170.122 1.291 10 0 ADAERN Cn1cc(C(=O)c2ccccn2)cn1 43462057 572186378 /nfs/dbraw/zinc/18/63/78/572186378.db2.gz AUFFHZRCTGSHKX-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN Fc1cncc(F)c1C1OCCO1 35822629 572186388 /nfs/dbraw/zinc/18/63/88/572186388.db2.gz RWBUHQBRMCFUOA-UHFFFAOYSA-N 0 0 187.145 1.405 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])CC(C)C 83119756 572186391 /nfs/dbraw/zinc/18/63/91/572186391.db2.gz QORSHFSDWMQNDC-QMMMGPOBSA-N 0 0 173.256 1.485 10 0 ADAERN CCCCSO 117203629 572186406 /nfs/dbraw/zinc/18/64/06/572186406.db2.gz ZCPNWCDLBCWEES-UHFFFAOYSA-N 0 0 105.182 1.865 10 0 ADAERN C[C@H](NCc1ncon1)C(C)(C)C 687711669 572186421 /nfs/dbraw/zinc/18/64/21/572186421.db2.gz CHZGBRITRCFDQS-ZETCQYMHSA-N 0 0 183.255 1.594 10 0 ADAERN COCCCOc1ccc(N)cn1 37746797 572186449 /nfs/dbraw/zinc/18/64/49/572186449.db2.gz MPIKOTOXCAALGN-UHFFFAOYSA-N 0 0 182.223 1.079 10 0 ADAERN O=C1N=NC[C@H](c2ccccc2)N1 35803431 572186453 /nfs/dbraw/zinc/18/64/53/572186453.db2.gz UNGQAVANJOAXKO-MRVPVSSYSA-N 0 0 175.191 1.026 10 0 ADAERN Cc1nc(SCC[C@H](C)F)n[nH]1 393349350 572186461 /nfs/dbraw/zinc/18/64/61/572186461.db2.gz NYDQBKOKBAQLFN-YFKPBYRVSA-N 0 0 189.259 1.953 10 0 ADAERN COCCCSc1ccc(N)nc1 37753897 572186505 /nfs/dbraw/zinc/18/65/05/572186505.db2.gz CMRCQHGWOVTJCY-UHFFFAOYSA-N 0 0 198.291 1.792 10 0 ADAERN O=c1[nH]c(=O)c2cccc(Cl)c2o1 35837345 572186529 /nfs/dbraw/zinc/18/65/29/572186529.db2.gz BRJVERJQIWMORP-UHFFFAOYSA-N 0 0 197.577 1.135 10 0 ADAERN CCCC[C@@H](C)c1nnc(N)o1 300965307 572186560 /nfs/dbraw/zinc/18/65/60/572186560.db2.gz RCFUKCSLLAWAJR-ZCFIWIBFSA-N 0 0 169.228 1.946 10 0 ADAERN C[C@H]1[C@@H](O)CC[C@@H]1c1cnccn1 83035974 572186581 /nfs/dbraw/zinc/18/65/81/572186581.db2.gz LWRFJNQAMLOKTL-WEDXCCLWSA-N 0 0 178.235 1.351 10 0 ADAERN CCOC(=O)C(C)=C1CC(=O)C1 35923566 572186625 /nfs/dbraw/zinc/18/66/25/572186625.db2.gz PKHRBSVRELVWTE-UHFFFAOYSA-N 0 0 168.192 1.229 10 0 ADAERN CC/C=C(/C)C(=O)N[C@H](C)CF 393349147 572186628 /nfs/dbraw/zinc/18/66/28/572186628.db2.gz NCMDMDKCODFQTF-GRKOMRHMSA-N 0 0 173.231 1.817 10 0 ADAERN OCCC[C@@H]1CC1=C1CC1 35854842 572186662 /nfs/dbraw/zinc/18/66/62/572186662.db2.gz DPCBVSNOFAWGCW-MRVPVSSYSA-N 0 0 138.210 1.869 10 0 ADAERN C[C@H]1[C@@H](O)CC[C@@H]1c1cccnc1 83036658 572186663 /nfs/dbraw/zinc/18/66/63/572186663.db2.gz OAKJSVYGASWOJF-MIMYLULJSA-N 0 0 177.247 1.956 10 0 ADAERN C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H]1C)C(=O)[O-] 83044448 572186685 /nfs/dbraw/zinc/18/66/85/572186685.db2.gz YZLTYZJBIDHEBB-ZYUZMQFOSA-N 0 0 199.294 1.731 10 0 ADAERN COCCCOc1cccc(N)c1C 37753366 572186686 /nfs/dbraw/zinc/18/66/86/572186686.db2.gz UBOTYXMJIPQDIK-UHFFFAOYSA-N 0 0 195.262 1.993 10 0 ADAERN 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/nfs/dbraw/zinc/18/70/41/572187041.db2.gz ORMGTKDLBSWIOL-UHFFFAOYSA-N 0 0 194.234 1.412 10 0 ADAERN C[C@H](O)[C@H](C)/C=C\CC(C)(C)O 393348863 572187043 /nfs/dbraw/zinc/18/70/43/572187043.db2.gz MJQACWWEWSQZDS-CDLGPUQVSA-N 0 0 172.268 1.721 10 0 ADAERN CCc1cc(C(=O)OC)n(CC)n1 83119779 572187235 /nfs/dbraw/zinc/18/72/35/572187235.db2.gz RJFVXMXPBYSDSV-UHFFFAOYSA-N 0 0 182.223 1.252 10 0 in-vitro ADAERN CC[C@]1(O)C(C)=CC[C@@H](C)[C@@H]1O 35837186 572187062 /nfs/dbraw/zinc/18/70/62/572187062.db2.gz IBITTZDDSPWQDP-JEZHCXPESA-N 0 0 170.252 1.475 10 0 ADAERN C[C@H](O)[C@@H](C)/C=C\CC(C)(C)O 393348865 572187109 /nfs/dbraw/zinc/18/71/09/572187109.db2.gz MJQACWWEWSQZDS-CHVDZCGESA-N 0 0 172.268 1.721 10 0 ADAERN CC(=O)[C@H]1C[C@@H](C)OC(C)(C)O1 35854945 572187124 /nfs/dbraw/zinc/18/71/24/572187124.db2.gz HHYGTHSIWBRZJB-HTRCEHHLSA-N 0 0 172.224 1.506 10 0 ADAERN C[C@H]1CC[C@@H](NC(N)=O)[C@@H]1C 83042488 572187242 /nfs/dbraw/zinc/18/72/42/572187242.db2.gz JRQZQMBMJDOGDC-RRKCRQDMSA-N 0 0 156.229 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572187796 /nfs/dbraw/zinc/18/77/96/572187796.db2.gz XDJBXYLCBIQGKX-UHFFFAOYSA-N 0 0 194.234 1.365 10 0 ADAERN C[C@H]1CC[C@@H]([NH2+]C[C@@H](C)C(=O)[O-])[C@@H]1C 83044450 572187839 /nfs/dbraw/zinc/18/78/39/572187839.db2.gz YZLTYZJBIDHEBB-SGIHWFKDSA-N 0 0 199.294 1.731 10 0 ADAERN CCC[C@@H](O)[C@H](OC)C1CC1 124528688 572187873 /nfs/dbraw/zinc/18/78/73/572187873.db2.gz WIFIYTVKSMIBOJ-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@H]1CC[C@H](NC(N)=O)[C@@H]1C 83042485 572187903 /nfs/dbraw/zinc/18/79/03/572187903.db2.gz JRQZQMBMJDOGDC-XVMARJQXSA-N 0 0 156.229 1.089 10 0 ADAERN COCCCn1nc(C)c(CO)c1C 37754227 572187907 /nfs/dbraw/zinc/18/79/07/572187907.db2.gz QMPNMHGJICOKNN-UHFFFAOYSA-N 0 0 198.266 1.029 10 0 ADAERN COC(=O)CN[C@@H]1CC[C@H](C)[C@H]1C 83042951 572187934 /nfs/dbraw/zinc/18/79/34/572187934.db2.gz MHFSCVANOTUWEJ-DJLDLDEBSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)Nc1cc(C(N)=S)ccn1 19513375 572187941 /nfs/dbraw/zinc/18/79/41/572187941.db2.gz VDYJVYZYKFBAJB-UHFFFAOYSA-N 0 0 195.291 1.536 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0 0 180.129 1.545 10 0 ADAERN CC[C@H]1N=C(c2ccoc2C)NC1=O 234085067 572192255 /nfs/dbraw/zinc/19/22/55/572192255.db2.gz BKMCMNCBPRMANH-MRVPVSSYSA-N 0 0 192.218 1.243 10 0 ADAERN CC[C@H]1C[C@H]1NCC(F)(F)F 234088499 572192292 /nfs/dbraw/zinc/19/22/92/572192292.db2.gz UGFBUVPPPJCGSQ-NTSWFWBYSA-N 0 0 167.174 1.937 10 0 ADAERN CCC[C@H](CC(=O)NC)n1ccnc1 70187197 572192399 /nfs/dbraw/zinc/19/23/99/572192399.db2.gz VDPIEFUGDOETFX-SECBINFHSA-N 0 0 195.266 1.360 10 0 ADAERN CC[C@](C)(O)[C@H](O)c1cnccc1C 234088336 572192355 /nfs/dbraw/zinc/19/23/55/572192355.db2.gz UVLMTKHTEMRKPH-MNOVXSKESA-N 0 0 195.262 1.584 10 0 ADAERN CCC(CC)C(=O)COC 43504957 572192359 /nfs/dbraw/zinc/19/23/59/572192359.db2.gz IMDMZZYJNGYVBN-UHFFFAOYSA-N 0 0 144.214 1.638 10 0 ADAERN CC[C@@]([NH2+]CC1CC1)(C(=O)[O-])C1CC1 83057836 572192362 /nfs/dbraw/zinc/19/23/62/572192362.db2.gz LYLGRTXJQYLIKU-NSHDSACASA-N 0 0 197.278 1.629 10 0 ADAERN CCc1cccc(CCC(N)=O)c1 112988148 572192364 /nfs/dbraw/zinc/19/23/64/572192364.db2.gz BAWCMJKVLRWDAI-UHFFFAOYSA-N 0 0 177.247 1.667 10 0 ADAERN CC(C)C[C@H](C)C[C@H](O)[C@H](C)O 300970084 572192545 /nfs/dbraw/zinc/19/25/45/572192545.db2.gz SAGSCYXBHKAJAE-GUBZILKMSA-N 0 0 174.284 1.800 10 0 ADAERN CC[C@](O)(Cc1cnn(C)c1)C1CC1 83058407 572192624 /nfs/dbraw/zinc/19/26/24/572192624.db2.gz CBLHIHOCWRBRLR-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@@](C(=O)[O-])(C1CC1)[NH+]1CCCC1 83058752 572192629 /nfs/dbraw/zinc/19/26/29/572192629.db2.gz VDBSYLBOPRIVOK-NSHDSACASA-N 0 0 197.278 1.726 10 0 ADAERN CCN[C@@](CC)(C(=O)OCC)C1CC1 83057751 572192718 /nfs/dbraw/zinc/19/27/18/572192718.db2.gz UNXOBUKUEAUXAI-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN CC(=O)CC(=O)N(C)[C@@H](C)C1CC1 37790635 572192738 /nfs/dbraw/zinc/19/27/38/572192738.db2.gz CEJJHOIFKFIQDP-QMMMGPOBSA-N 0 0 183.251 1.222 10 0 ADAERN CC[C@H]1C[C@H]1NCC(F)F 234088545 572192744 /nfs/dbraw/zinc/19/27/44/572192744.db2.gz YTRKHDZIOQQQHQ-NTSWFWBYSA-N 0 0 149.184 1.640 10 0 ADAERN Cc1ccc(C(=O)[C@@H](O)C2CC2)cn1 235887203 572192754 /nfs/dbraw/zinc/19/27/54/572192754.db2.gz PBQUMDZBQNYYMG-JTQLQIEISA-N 0 0 191.230 1.344 10 0 ADAERN O=Cc1coc(-c2ccco2)n1 19723038 572192780 /nfs/dbraw/zinc/19/27/80/572192780.db2.gz FIUQXZDJSPROBH-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)n1ccnc1 234085327 572192825 /nfs/dbraw/zinc/19/28/25/572192825.db2.gz BIQRSOJFHWJIDI-JGVFFNPUSA-N 0 0 179.223 1.239 10 0 ADAERN CCn1nncc1[C@H](C)CC(C)=O 300970095 572192830 /nfs/dbraw/zinc/19/28/30/572192830.db2.gz ZTGMPFQREMWQPN-SSDOTTSWSA-N 0 0 181.239 1.381 10 0 ADAERN CC[C@@](CC(=O)[O-])(C1CC1)[NH+](C)C 83059286 572192852 /nfs/dbraw/zinc/19/28/52/572192852.db2.gz SUKQDMWHIIBMHK-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@H]1N=C(c2occc2C)NC1=O 234085394 572192854 /nfs/dbraw/zinc/19/28/54/572192854.db2.gz WFCKHVDVJNUOEL-SSDOTTSWSA-N 0 0 192.218 1.243 10 0 ADAERN CC[C@@](O)(Cc1cnn(C)c1)C1CC1 83058405 572192861 /nfs/dbraw/zinc/19/28/61/572192861.db2.gz CBLHIHOCWRBRLR-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN CC[NH2+][C@@](CC)(C(=O)[O-])C1CC1 83057742 572192864 /nfs/dbraw/zinc/19/28/64/572192864.db2.gz IWNKPHGVSXZCRW-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN CC[C@](CC(=O)[O-])(C1CC1)[NH+](C)C 83059288 572192878 /nfs/dbraw/zinc/19/28/78/572192878.db2.gz SUKQDMWHIIBMHK-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN CCn1ccnc1[C@](O)(CC)C1CC1 83058713 572192932 /nfs/dbraw/zinc/19/29/32/572192932.db2.gz OMZZFVPKBZFROU-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN CCOC(=O)[C@@](CC)(NC)C1CC1 83057760 572192941 /nfs/dbraw/zinc/19/29/41/572192941.db2.gz PCWWFUZHFVBCAP-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CC[C@](C(=O)[O-])(C1CC1)[NH+]1CCCC1 83058750 572192963 /nfs/dbraw/zinc/19/29/63/572192963.db2.gz VDBSYLBOPRIVOK-LLVKDONJSA-N 0 0 197.278 1.726 10 0 ADAERN CCOc1ccc2c(c1)C(=O)CNC2 36155800 572193943 /nfs/dbraw/zinc/19/39/43/572193943.db2.gz MMIVAHOTLAXTAV-UHFFFAOYSA-N 0 0 191.230 1.371 10 0 ADAERN CCn1nccc1[C@](O)(CC)C1CC1 83058424 572193003 /nfs/dbraw/zinc/19/30/03/572193003.db2.gz LJNGAHUMWXOSBP-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN CCNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 70186765 572193019 /nfs/dbraw/zinc/19/30/19/572193019.db2.gz RFFICKBMCAHEBA-AEJSXWLSSA-N 0 0 181.279 1.949 10 0 ADAERN CCn1nncc1NCCCCOC 300970754 572192986 /nfs/dbraw/zinc/19/29/86/572192986.db2.gz QRHFPLDDWFCPOV-UHFFFAOYSA-N 0 0 198.270 1.137 10 0 ADAERN CCC[C@@H](C)C(=O)COC 43504955 572193059 /nfs/dbraw/zinc/19/30/59/572193059.db2.gz OANSNMFANRLNED-SSDOTTSWSA-N 0 0 144.214 1.638 10 0 ADAERN CCOC(=O)[C@@](O)(CC)C1CC1 83058936 572193071 /nfs/dbraw/zinc/19/30/71/572193071.db2.gz KGZOTGPFUYLBCR-SECBINFHSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@H]1CN(C(=O)C2CC2)C(C)(C)CO1 36102292 572193073 /nfs/dbraw/zinc/19/30/73/572193073.db2.gz DUXQKHHEENYIQT-QMMMGPOBSA-N 0 0 197.278 1.422 10 0 ADAERN CCN[C@](CC)(C(=O)OC)C1CC1 83057746 572193074 /nfs/dbraw/zinc/19/30/74/572193074.db2.gz LDCFUDGLDQTRBZ-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CC/C=C(/C)[C@H](O)[C@@H](C)C(=O)OC 214616296 572193075 /nfs/dbraw/zinc/19/30/75/572193075.db2.gz MSWBTAZMWCHJPI-WVXMWNJGSA-N 0 0 186.251 1.513 10 0 ADAERN CCOC(=O)[C@](O)(CC)C1CC1 83058938 572193100 /nfs/dbraw/zinc/19/31/00/572193100.db2.gz KGZOTGPFUYLBCR-VIFPVBQESA-N 0 0 172.224 1.101 10 0 ADAERN CCCC(=O)N1C[C@H](C)OCC1(C)C 36102280 572193104 /nfs/dbraw/zinc/19/31/04/572193104.db2.gz YSUFVIHIZBXDBR-VIFPVBQESA-N 0 0 199.294 1.812 10 0 ADAERN CC(C)CC[C@H](C)N1C(=O)C=CC1=O 70184902 572193129 /nfs/dbraw/zinc/19/31/29/572193129.db2.gz SLXKIWBPJAHXGO-VIFPVBQESA-N 0 0 195.262 1.736 10 0 ADAERN CC(C)CC[C@@H](C)N1C(=O)C=CC1=O 70184901 572193136 /nfs/dbraw/zinc/19/31/36/572193136.db2.gz SLXKIWBPJAHXGO-SECBINFHSA-N 0 0 195.262 1.736 10 0 ADAERN OCc1c[nH]c(=S)n1C1CC1 19724494 572193169 /nfs/dbraw/zinc/19/31/69/572193169.db2.gz LERHLXYZACOUEN-UHFFFAOYSA-N 0 0 170.237 1.373 10 0 ADAERN COCC(=O)[C@@H]1C=CCCC1 43504759 572193227 /nfs/dbraw/zinc/19/32/27/572193227.db2.gz GYGSFWBGJWSLSL-MRVPVSSYSA-N 0 0 154.209 1.558 10 0 ADAERN CC[C@]([NH2+]CC(C)C)(C(=O)[O-])C1CC1 83057818 572193279 /nfs/dbraw/zinc/19/32/79/572193279.db2.gz LSRFBTIOGIVWIT-LLVKDONJSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@@H](C)n1ccc(CNOC)n1 83099556 572193956 /nfs/dbraw/zinc/19/39/56/572193956.db2.gz XTGRKLGIQKFFTH-MRVPVSSYSA-N 0 0 183.255 1.505 10 0 ADAERN c1nnc2n1N[C@@H]1CCCC[C@H]1S2 36151943 572193497 /nfs/dbraw/zinc/19/34/97/572193497.db2.gz WDJIFSVWESPGHS-RNFRBKRXSA-N 0 0 196.279 1.239 10 0 ADAERN Cc1nc([C@H](N)C(F)(F)F)co1 687792601 572193365 /nfs/dbraw/zinc/19/33/65/572193365.db2.gz JEZULTCZLPQKFU-YFKPBYRVSA-N 0 0 180.129 1.545 10 0 ADAERN CC[C@@](C(=O)[O-])(C1CC1)[NH+](C)C 83058744 572193366 /nfs/dbraw/zinc/19/33/66/572193366.db2.gz ZWARSPKFDXWMQZ-VIFPVBQESA-N 0 0 171.240 1.191 10 0 ADAERN CC[NH+](CC)[C@](CC)(C(=O)[O-])C1CC1 83058755 572193369 /nfs/dbraw/zinc/19/33/69/572193369.db2.gz URDXEBBKCYDVHB-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@](C)(O)[C@H](O)c1cccs1 234087965 572193329 /nfs/dbraw/zinc/19/33/29/572193329.db2.gz OTSGRBPQYLFCCB-BDAKNGLRSA-N 0 0 186.276 1.943 10 0 ADAERN Cc1ccc2c(c1)C(=O)CNC2 36155771 572193526 /nfs/dbraw/zinc/19/35/26/572193526.db2.gz BEHNVEHJEJECHS-UHFFFAOYSA-N 0 0 161.204 1.281 10 0 ADAERN CC(=O)CC(=O)N(C)[C@@H](C)C(C)C 37790638 572193451 /nfs/dbraw/zinc/19/34/51/572193451.db2.gz QILSGIZMUYIYLF-VIFPVBQESA-N 0 0 185.267 1.468 10 0 ADAERN O[C@H](c1ccc2c(c1)OCO2)C1CC1 36156724 572193509 /nfs/dbraw/zinc/19/35/09/572193509.db2.gz LJHGMWJXBGTGAV-NSHDSACASA-N 0 0 192.214 1.859 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)NCC(C)C 36164875 572193511 /nfs/dbraw/zinc/19/35/11/572193511.db2.gz GUCRYVQWIIHJDZ-UHFFFAOYSA-N 0 0 195.266 1.412 10 0 ADAERN Nc1ccc(-c2cc(=O)o[nH]2)cc1 249899645 572193540 /nfs/dbraw/zinc/19/35/40/572193540.db2.gz GZHCDIIYMHPMHV-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Cc1nnc2n1N[C@@H]1CCC[C@H]1S2 36151443 572193575 /nfs/dbraw/zinc/19/35/75/572193575.db2.gz IQQYGPCOWDVBLV-RNFRBKRXSA-N 0 0 196.279 1.157 10 0 ADAERN CCC[C@@H](C)N(C)C(=O)CC(C)=O 37790640 572193631 /nfs/dbraw/zinc/19/36/31/572193631.db2.gz DXAMEFFWKHPPTG-MRVPVSSYSA-N 0 0 185.267 1.613 10 0 ADAERN CCC(CC)n1ccc(CNOC)n1 83099558 572193659 /nfs/dbraw/zinc/19/36/59/572193659.db2.gz FACKSEDFGAFPEM-UHFFFAOYSA-N 0 0 197.282 1.895 10 0 ADAERN CCc1nccn1[C@H](C)C(N)=S 43514880 572193664 /nfs/dbraw/zinc/19/36/64/572193664.db2.gz OCKQGEAADHXVGV-ZCFIWIBFSA-N 0 0 183.280 1.293 10 0 ADAERN CC[C@@H]1CCCN(C(=O)CC(C)=O)C1 37790643 572193669 /nfs/dbraw/zinc/19/36/69/572193669.db2.gz JTQCGCXJOCHJQU-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN CC(C)c1nccn1[C@H](C)C(N)=S 43514820 572193968 /nfs/dbraw/zinc/19/39/68/572193968.db2.gz UQVIZRXEPJYQFP-SSDOTTSWSA-N 0 0 197.307 1.854 10 0 ADAERN COC(C)(C)[C@H](O)COC1CCC1 300972918 572193975 /nfs/dbraw/zinc/19/39/75/572193975.db2.gz JLMRWMSRMCLQHY-SECBINFHSA-N 0 0 188.267 1.341 10 0 ADAERN O=C1C[C@@H](c2ccc3ccccc3n2)N1 83094635 572193836 /nfs/dbraw/zinc/19/38/36/572193836.db2.gz KFMGXSAGDMPSDI-NSHDSACASA-N 0 0 198.225 1.796 10 0 ADAERN CCCn1nncc1NCC(F)F 300972889 572193991 /nfs/dbraw/zinc/19/39/91/572193991.db2.gz QYXHJTKOPZKKFO-UHFFFAOYSA-N 0 0 190.197 1.365 10 0 ADAERN C[C@H](O)c1ccc2c(c1)CCN2C 19722093 572194024 /nfs/dbraw/zinc/19/40/24/572194024.db2.gz SEPZSPGTTULNLM-QMMMGPOBSA-N 0 0 177.247 1.732 10 0 ADAERN O[C@H]1CCc2cc3c(cc21)OCCO3 19727102 572194051 /nfs/dbraw/zinc/19/40/51/572194051.db2.gz SZDXBUJPDKOVPW-VIFPVBQESA-N 0 0 192.214 1.437 10 0 ADAERN CC1(C)OCC2(CCC(=O)CC2)CO1 19721884 572194054 /nfs/dbraw/zinc/19/40/54/572194054.db2.gz CFFONXVEIPBIPU-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 in-vitro ADAERN Cc1n[nH]c(C)c1C(=O)N(C)C(C)C 36165519 572194064 /nfs/dbraw/zinc/19/40/64/572194064.db2.gz GFZQIVAAXQQRSY-UHFFFAOYSA-N 0 0 195.266 1.507 10 0 ADAERN CO[C@H](C)C(=O)NCCC1=CCCC1 228995869 572194083 /nfs/dbraw/zinc/19/40/83/572194083.db2.gz YJMWRGNNTKQPAL-SECBINFHSA-N 0 0 197.278 1.638 10 0 ADAERN Cc1cc(=O)c2ccccc2n1O 19691586 572194088 /nfs/dbraw/zinc/19/40/88/572194088.db2.gz NPMDHEUQIDXKDR-UHFFFAOYSA-N 0 0 175.187 1.547 10 0 ADAERN CC/C=C(\C)[C@H](O)[C@@H](C)C(=O)OC 214616242 572194106 /nfs/dbraw/zinc/19/41/06/572194106.db2.gz MSWBTAZMWCHJPI-BXELRRQVSA-N 0 0 186.251 1.513 10 0 ADAERN Cc1nnc2n1N[C@@H](C(C)C)CS2 36150983 572194147 /nfs/dbraw/zinc/19/41/47/572194147.db2.gz WJUJLWIHXHMJNH-SSDOTTSWSA-N 0 0 198.295 1.260 10 0 ADAERN c1nnc2n1N[C@H]1CCCC[C@H]1S2 36151944 572194237 /nfs/dbraw/zinc/19/42/37/572194237.db2.gz WDJIFSVWESPGHS-NKWVEPMBSA-N 0 0 196.279 1.239 10 0 ADAERN C[C@H]1CSc2nnc(C3CC3)n2N1 36150382 572194316 /nfs/dbraw/zinc/19/43/16/572194316.db2.gz CCGYRTLMYHSXRL-YFKPBYRVSA-N 0 0 196.279 1.193 10 0 ADAERN COCC(=O)NCCC1=CCCC1 228995549 572194627 /nfs/dbraw/zinc/19/46/27/572194627.db2.gz GJPRGXJFAHKWCZ-UHFFFAOYSA-N 0 0 183.251 1.249 10 0 ADAERN C[C@@H](c1cccnc1)n1nccc1N 19689125 572194319 /nfs/dbraw/zinc/19/43/19/572194319.db2.gz CBEMBNHSHLRLFE-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN Cc1c(N)cc2c(c1C)OCCC2=O 36142865 572194381 /nfs/dbraw/zinc/19/43/81/572194381.db2.gz RKQJMPURIUBVOH-UHFFFAOYSA-N 0 0 191.230 1.851 10 0 ADAERN O=Cc1noc(-c2ccc(O)cc2)n1 249898115 572194395 /nfs/dbraw/zinc/19/43/95/572194395.db2.gz GCFMCWHQXDIVEZ-UHFFFAOYSA-N 0 0 190.158 1.255 10 0 ADAERN CCON[C@H]1CCC[C@H](OC)C1 83116183 572194418 /nfs/dbraw/zinc/19/44/18/572194418.db2.gz KPZNAVPYUIGWMM-IUCAKERBSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@]1(c2cccs2)CNC(=O)O1 36156430 572194434 /nfs/dbraw/zinc/19/44/34/572194434.db2.gz WAOOQRJFJSYREC-MRVPVSSYSA-N 0 0 183.232 1.703 10 0 ADAERN C[C@@H](OCC(F)(F)F)C(N)=S 43514974 572194476 /nfs/dbraw/zinc/19/44/76/572194476.db2.gz VSPJQJDDLZJRQE-GSVOUGTGSA-N 0 0 187.186 1.240 10 0 ADAERN CC[C@](C)(O)c1ncccc1OC 234090058 572194479 /nfs/dbraw/zinc/19/44/79/572194479.db2.gz RVCCBBATBFDBHX-JTQLQIEISA-N 0 0 181.235 1.708 10 0 ADAERN CCOCC(=O)NCCC1=CCCC1 228995797 572194555 /nfs/dbraw/zinc/19/45/55/572194555.db2.gz YWKKQZNEYTVJMO-UHFFFAOYSA-N 0 0 197.278 1.640 10 0 ADAERN CCc1nnc2n1N[C@@H](C)[C@H](C)S2 36150583 572194573 /nfs/dbraw/zinc/19/45/73/572194573.db2.gz SDMHNQFMRGRPTJ-WDSKDSINSA-N 0 0 198.295 1.267 10 0 ADAERN c1nnc2n1N[C@H]1CCCC[C@@H]1S2 36151940 572194578 /nfs/dbraw/zinc/19/45/78/572194578.db2.gz WDJIFSVWESPGHS-BQBZGAKWSA-N 0 0 196.279 1.239 10 0 ADAERN CC(C)c1nccn1[C@@H](C)C(N)=S 43514819 572194581 /nfs/dbraw/zinc/19/45/81/572194581.db2.gz UQVIZRXEPJYQFP-ZETCQYMHSA-N 0 0 197.307 1.854 10 0 ADAERN COC[C@H](C)Oc1ncccc1N 70204269 572194588 /nfs/dbraw/zinc/19/45/88/572194588.db2.gz SCACLPOTSOZYMM-ZETCQYMHSA-N 0 0 182.223 1.078 10 0 ADAERN CCON[C@@H]1CCC[C@H](OC)C1 83116182 572194593 /nfs/dbraw/zinc/19/45/93/572194593.db2.gz KPZNAVPYUIGWMM-BDAKNGLRSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H](OCc1ccccc1)C(N)=S 43514969 572194601 /nfs/dbraw/zinc/19/46/01/572194601.db2.gz GTWALIASJZQQPD-QMMMGPOBSA-N 0 0 195.287 1.878 10 0 ADAERN COC[C@@H](C)Oc1ccc(N)cc1F 70204256 572194667 /nfs/dbraw/zinc/19/46/67/572194667.db2.gz CGJMJXQTMAJZHO-SSDOTTSWSA-N 0 0 199.225 1.822 10 0 ADAERN Cc1ccc([C@@H](C)n2nccc2N)o1 19689470 572194678 /nfs/dbraw/zinc/19/46/78/572194678.db2.gz ODCRHXQQBUXMHE-MRVPVSSYSA-N 0 0 191.234 1.976 10 0 ADAERN Cc1nnc2n1N[C@H]1CCC[C@@H]1S2 36151440 572194688 /nfs/dbraw/zinc/19/46/88/572194688.db2.gz IQQYGPCOWDVBLV-BQBZGAKWSA-N 0 0 196.279 1.157 10 0 ADAERN O[C@@H]1CCc2cc3c(cc21)OCCO3 19727101 572194702 /nfs/dbraw/zinc/19/47/02/572194702.db2.gz SZDXBUJPDKOVPW-SECBINFHSA-N 0 0 192.214 1.437 10 0 ADAERN Cc1ccc([C@H](C)n2nccc2N)o1 19689468 572194725 /nfs/dbraw/zinc/19/47/25/572194725.db2.gz ODCRHXQQBUXMHE-QMMMGPOBSA-N 0 0 191.234 1.976 10 0 ADAERN CC(C)n1c(CO)c[nH]c1=S 19724493 572194747 /nfs/dbraw/zinc/19/47/47/572194747.db2.gz OXGPHMCTFUVFFU-UHFFFAOYSA-N 0 0 172.253 1.619 10 0 ADAERN CCC[C@@H]1CO[C@H](C(F)(F)F)N1 207332990 572194771 /nfs/dbraw/zinc/19/47/71/572194771.db2.gz PJTKAXSAQUEOHG-PHDIDXHHSA-N 0 0 183.173 1.663 10 0 ADAERN Cc1nnc2n1N[C@H](C)[C@@H](C)S2 36150576 572194777 /nfs/dbraw/zinc/19/47/77/572194777.db2.gz WTHIJTCBYFCXCR-RFZPGFLSSA-N 0 0 184.268 1.013 10 0 ADAERN CC[C@H]1OCC[C@@H]1C(=O)NC1CC1 234087285 572194799 /nfs/dbraw/zinc/19/47/99/572194799.db2.gz LSQMNIBDEAGXCL-DTWKUNHWSA-N 0 0 183.251 1.080 10 0 ADAERN CCC[C@H](C)N(C)C(=O)CC(C)=O 37790641 572194811 /nfs/dbraw/zinc/19/48/11/572194811.db2.gz DXAMEFFWKHPPTG-QMMMGPOBSA-N 0 0 185.267 1.613 10 0 ADAERN CCONCC1(O)CCCCCC1 83116227 572194816 /nfs/dbraw/zinc/19/48/16/572194816.db2.gz BTNMYLCKTMAQIX-UHFFFAOYSA-N 0 0 187.283 1.613 10 0 ADAERN CONCc1ccn(C2CCCC2)n1 83099585 572194821 /nfs/dbraw/zinc/19/48/21/572194821.db2.gz CNTXKKVABOFXAM-UHFFFAOYSA-N 0 0 195.266 1.649 10 0 ADAERN Cc1nnc2n1N[C@H](C(C)C)CS2 36150978 572194828 /nfs/dbraw/zinc/19/48/28/572194828.db2.gz WJUJLWIHXHMJNH-ZETCQYMHSA-N 0 0 198.295 1.260 10 0 ADAERN CCC(CC)N(C)C(=O)CC(C)=O 37790639 572194892 /nfs/dbraw/zinc/19/48/92/572194892.db2.gz ZFQJWQCOYYXUOQ-UHFFFAOYSA-N 0 0 185.267 1.613 10 0 ADAERN CCN[C@@H](CN1CCC1)C(F)(F)F 687792940 572195056 /nfs/dbraw/zinc/19/50/56/572195056.db2.gz KKRGNSJDPYNTAS-ZETCQYMHSA-N 0 0 196.216 1.233 10 0 ADAERN Cc1nnc2n1N[C@H](C)[C@H](C)S2 36150569 572194896 /nfs/dbraw/zinc/19/48/96/572194896.db2.gz WTHIJTCBYFCXCR-UHNVWZDZSA-N 0 0 184.268 1.013 10 0 ADAERN CCC[C@@H]1CO[C@@H](C(F)(F)F)N1 207333032 572194902 /nfs/dbraw/zinc/19/49/02/572194902.db2.gz PJTKAXSAQUEOHG-RITPCOANSA-N 0 0 183.173 1.663 10 0 ADAERN CCc1nccn1[C@@H](C)C(N)=S 43514879 572194906 /nfs/dbraw/zinc/19/49/06/572194906.db2.gz OCKQGEAADHXVGV-LURJTMIESA-N 0 0 183.280 1.293 10 0 ADAERN CC[C@H]1CCCN(C(=O)CC(C)=O)C1 37790644 572194933 /nfs/dbraw/zinc/19/49/33/572194933.db2.gz JTQCGCXJOCHJQU-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN CCCOC(=O)c1ccncc1F 83094187 572194991 /nfs/dbraw/zinc/19/49/91/572194991.db2.gz ABHQCTPRYIWYHW-UHFFFAOYSA-N 0 0 183.182 1.788 10 0 ADAERN CCONCCc1cccnc1 83116272 572194996 /nfs/dbraw/zinc/19/49/96/572194996.db2.gz LUPBCVALRCNBAS-UHFFFAOYSA-N 0 0 166.224 1.165 10 0 ADAERN CCCCO[C@H](C)C(N)=S 43515288 572195043 /nfs/dbraw/zinc/19/50/43/572195043.db2.gz KERDTHIQIBPAQG-ZCFIWIBFSA-N 0 0 161.270 1.478 10 0 ADAERN CC(=O)CC(=O)N(C)[C@H](C)C(C)C 37790637 572195050 /nfs/dbraw/zinc/19/50/50/572195050.db2.gz QILSGIZMUYIYLF-SECBINFHSA-N 0 0 185.267 1.468 10 0 ADAERN CC(C)c1nnc2n1N[C@@H](C)CS2 36150371 572195069 /nfs/dbraw/zinc/19/50/69/572195069.db2.gz NMRWQUUDQDPGFX-LURJTMIESA-N 0 0 198.295 1.439 10 0 ADAERN C[C@@H](OCc1ccccc1)C(N)=S 43514970 572195100 /nfs/dbraw/zinc/19/51/00/572195100.db2.gz GTWALIASJZQQPD-MRVPVSSYSA-N 0 0 195.287 1.878 10 0 ADAERN CC[C@H](C)n1ccc(CNOC)n1 83099557 572195173 /nfs/dbraw/zinc/19/51/73/572195173.db2.gz XTGRKLGIQKFFTH-QMMMGPOBSA-N 0 0 183.255 1.505 10 0 ADAERN O=C1C[C@H](c2ccc3ccccc3n2)N1 83094637 572195481 /nfs/dbraw/zinc/19/54/81/572195481.db2.gz KFMGXSAGDMPSDI-LLVKDONJSA-N 0 0 198.225 1.796 10 0 ADAERN CO[C@@H](C)C(=O)NCCC1=CCCC1 228995859 572195507 /nfs/dbraw/zinc/19/55/07/572195507.db2.gz YJMWRGNNTKQPAL-VIFPVBQESA-N 0 0 197.278 1.638 10 0 ADAERN C[C@@H](OCC1CC1)C(N)=S 43515134 572195515 /nfs/dbraw/zinc/19/55/15/572195515.db2.gz ICLCYTBQUURFMZ-RXMQYKEDSA-N 0 0 159.254 1.088 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)CCN2C 19722090 572195571 /nfs/dbraw/zinc/19/55/71/572195571.db2.gz SEPZSPGTTULNLM-MRVPVSSYSA-N 0 0 177.247 1.732 10 0 ADAERN Cc1nnc2n1N[C@@H](C)[C@@H](C)S2 36150579 572195572 /nfs/dbraw/zinc/19/55/72/572195572.db2.gz WTHIJTCBYFCXCR-CRCLSJGQSA-N 0 0 184.268 1.013 10 0 ADAERN CC[C@@H]1CNc2ccc(N)cc2O1 19755494 572196361 /nfs/dbraw/zinc/19/63/61/572196361.db2.gz FGPRSAODBKCVRD-MRVPVSSYSA-N 0 0 178.235 1.852 10 0 ADAERN C[C@@H](ON)c1cccs1 19728736 572196363 /nfs/dbraw/zinc/19/63/63/572196363.db2.gz BLEIGXOIWRUSOV-RXMQYKEDSA-N 0 0 143.211 1.699 10 0 ADAERN Cc1nnc2n1N[C@@H](C)[C@H](C)S2 36150573 572195628 /nfs/dbraw/zinc/19/56/28/572195628.db2.gz WTHIJTCBYFCXCR-WHFBIAKZSA-N 0 0 184.268 1.013 10 0 ADAERN Cc1cc(N)c2c(c1)C(=O)CCO2 36142593 572195634 /nfs/dbraw/zinc/19/56/34/572195634.db2.gz XZNNIGNWAPEHQL-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN COC[C@H](C)Oc1ccc(N)cc1F 70204253 572195654 /nfs/dbraw/zinc/19/56/54/572195654.db2.gz CGJMJXQTMAJZHO-ZETCQYMHSA-N 0 0 199.225 1.822 10 0 ADAERN Cc1nnc2n1N[C@@H]1CCC[C@@H]1S2 36151436 572195660 /nfs/dbraw/zinc/19/56/60/572195660.db2.gz IQQYGPCOWDVBLV-RQJHMYQMSA-N 0 0 196.279 1.157 10 0 ADAERN Cc1nnc2n1N[C@H]1CCC[C@H]1S2 36151446 572195670 /nfs/dbraw/zinc/19/56/70/572195670.db2.gz IQQYGPCOWDVBLV-NKWVEPMBSA-N 0 0 196.279 1.157 10 0 ADAERN CC[C@H]1CC[C@@H](C)N1C(=O)C(C)(C)O 234089684 572195673 /nfs/dbraw/zinc/19/56/73/572195673.db2.gz QDCNORGUCCKTIH-BDAKNGLRSA-N 0 0 199.294 1.547 10 0 ADAERN CCN[C@H](CN1CCC1)C(F)(F)F 687792939 572195681 /nfs/dbraw/zinc/19/56/81/572195681.db2.gz KKRGNSJDPYNTAS-SSDOTTSWSA-N 0 0 196.216 1.233 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)NC(C)(C)C 36164790 572195748 /nfs/dbraw/zinc/19/57/48/572195748.db2.gz CSTYBNNXBYIEOL-UHFFFAOYSA-N 0 0 195.266 1.555 10 0 ADAERN CCC(C)(C)O[C@H](C)C(N)=S 43515208 572195768 /nfs/dbraw/zinc/19/57/68/572195768.db2.gz JHBYIDIBBIXKRW-ZCFIWIBFSA-N 0 0 175.297 1.866 10 0 ADAERN COC[C@@H](C)Oc1ncccc1N 70204270 572195804 /nfs/dbraw/zinc/19/58/04/572195804.db2.gz SCACLPOTSOZYMM-SSDOTTSWSA-N 0 0 182.223 1.078 10 0 ADAERN O[C@@H](c1ccc2c(c1)OCO2)C1CC1 36156722 572195824 /nfs/dbraw/zinc/19/58/24/572195824.db2.gz LJHGMWJXBGTGAV-LLVKDONJSA-N 0 0 192.214 1.859 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H]1c1nccnc1C 234090868 572195848 /nfs/dbraw/zinc/19/58/48/572195848.db2.gz ZDTLVQQPAQVMLF-IUCAKERBSA-N 0 0 190.246 1.868 10 0 ADAERN CCONCc1ccn([C@@H](C)CC)n1 83116320 572195851 /nfs/dbraw/zinc/19/58/51/572195851.db2.gz PWHNKVDVGQPSDV-VIFPVBQESA-N 0 0 197.282 1.895 10 0 ADAERN CCON[C@H]1CCC[C@@H](OC)C1 83116185 572195856 /nfs/dbraw/zinc/19/58/56/572195856.db2.gz KPZNAVPYUIGWMM-DTWKUNHWSA-N 0 0 173.256 1.485 10 0 ADAERN CC(C)Cc1nnc2n1NCCS2 36153534 572195871 /nfs/dbraw/zinc/19/58/71/572195871.db2.gz OPDAZVUYYOUKAU-UHFFFAOYSA-N 0 0 198.295 1.126 10 0 ADAERN CCc1cc(N)c2c(c1)C(=O)CCO2 36142646 572195891 /nfs/dbraw/zinc/19/58/91/572195891.db2.gz YTBFXNBLDVRNIC-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN NC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 70206002 572195926 /nfs/dbraw/zinc/19/59/26/572195926.db2.gz HXTOTKHBSWGCMX-XVMARJQXSA-N 0 0 170.281 1.008 10 0 ADAERN CC(C)c1nnc2n1NCCS2 36153523 572195967 /nfs/dbraw/zinc/19/59/67/572195967.db2.gz OKVCVVSSBFPINY-UHFFFAOYSA-N 0 0 184.268 1.051 10 0 ADAERN COC(C)(C)[C@@H](O)COC1CCC1 300972919 572195969 /nfs/dbraw/zinc/19/59/69/572195969.db2.gz JLMRWMSRMCLQHY-VIFPVBQESA-N 0 0 188.267 1.341 10 0 ADAERN CCC(C)(C)O[C@@H](C)C(N)=S 43515207 572196007 /nfs/dbraw/zinc/19/60/07/572196007.db2.gz JHBYIDIBBIXKRW-LURJTMIESA-N 0 0 175.297 1.866 10 0 ADAERN CCCCO[C@@H](C)C(N)=S 43515287 572196040 /nfs/dbraw/zinc/19/60/40/572196040.db2.gz KERDTHIQIBPAQG-LURJTMIESA-N 0 0 161.270 1.478 10 0 ADAERN CC[C@@H]1CNc2cc(N)ccc2O1 19755483 572196041 /nfs/dbraw/zinc/19/60/41/572196041.db2.gz ZBDDJLSHRHFEEL-MRVPVSSYSA-N 0 0 178.235 1.852 10 0 ADAERN Nc1ccc(-c2cn3nccc3[nH]2)cc1 249920516 572196049 /nfs/dbraw/zinc/19/60/49/572196049.db2.gz VAACJUQCBOEWHI-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CCON[C@@H]1CCC[C@@H](OC)C1 83116184 572196052 /nfs/dbraw/zinc/19/60/52/572196052.db2.gz KPZNAVPYUIGWMM-RKDXNWHRSA-N 0 0 173.256 1.485 10 0 ADAERN Cc1ccc(CON)c(C)c1 19733272 572195960 /nfs/dbraw/zinc/19/59/60/572195960.db2.gz CKYVLWKVXJAJNN-UHFFFAOYSA-N 0 0 151.209 1.694 10 0 ADAERN c1ccc2c(c1)CN1CC[NH2+]C[C@H]21 36155405 572196084 /nfs/dbraw/zinc/19/60/84/572196084.db2.gz NBJGUFJEDVOREF-LLVKDONJSA-N 0 0 174.247 1.147 10 0 ADAERN CC(C)(C)O[C@H]1CCNC(=O)C1 207335385 572196165 /nfs/dbraw/zinc/19/61/65/572196165.db2.gz RUZAZJBKUVQUML-ZETCQYMHSA-N 0 0 171.240 1.080 10 0 ADAERN c1nnc2n1N[C@@H]1CCCC[C@@H]1S2 36151935 572196194 /nfs/dbraw/zinc/19/61/94/572196194.db2.gz WDJIFSVWESPGHS-RQJHMYQMSA-N 0 0 196.279 1.239 10 0 ADAERN C[C@H](ON)c1ccc(F)cc1 19728753 572196210 /nfs/dbraw/zinc/19/62/10/572196210.db2.gz RNWGFSUTDXZRGL-LURJTMIESA-N 0 0 155.172 1.777 10 0 ADAERN Cc1ccc([C@@]2(C)CNC(=O)O2)cc1 36156663 572196214 /nfs/dbraw/zinc/19/62/14/572196214.db2.gz UDKCLXOYYXTWIO-LLVKDONJSA-N 0 0 191.230 1.950 10 0 ADAERN CCc1nnc2n1N[C@H](C)[C@@H](C)S2 36150586 572196220 /nfs/dbraw/zinc/19/62/20/572196220.db2.gz SDMHNQFMRGRPTJ-PHDIDXHHSA-N 0 0 198.295 1.267 10 0 ADAERN CCc1ccc2c(c1)C(=O)CNC2 36155778 572196239 /nfs/dbraw/zinc/19/62/39/572196239.db2.gz RDTZCGNOFPIXQB-UHFFFAOYSA-N 0 0 175.231 1.535 10 0 ADAERN Cc1nnc([C@@H](N)c2cccs2)o1 19729501 572196249 /nfs/dbraw/zinc/19/62/49/572196249.db2.gz DYPZOQXXEVMBLY-ZETCQYMHSA-N 0 0 195.247 1.488 10 0 ADAERN CC(C)Cc1nnc2ccc(N)cn12 19753815 572196274 /nfs/dbraw/zinc/19/62/74/572196274.db2.gz ORXUVWQMBRHPBU-UHFFFAOYSA-N 0 0 190.250 1.510 10 0 ADAERN C[C@@]1(c2cccs2)CNC(=O)O1 36156432 572196322 /nfs/dbraw/zinc/19/63/22/572196322.db2.gz WAOOQRJFJSYREC-QMMMGPOBSA-N 0 0 183.232 1.703 10 0 ADAERN C[C@H](NO)c1ccc2c(c1)OCCO2 19728803 572196339 /nfs/dbraw/zinc/19/63/39/572196339.db2.gz FHOAPUNRMUZMNL-ZETCQYMHSA-N 0 0 195.218 1.498 10 0 ADAERN C[C@H]1CNc2cc(N)ccc2O1 19755481 572196354 /nfs/dbraw/zinc/19/63/54/572196354.db2.gz BBBWFCMXFPIEIO-LURJTMIESA-N 0 0 164.208 1.462 10 0 ADAERN c1snnc1CN1CCSC1 687712194 572196373 /nfs/dbraw/zinc/19/63/73/572196373.db2.gz CTOXPYBTMWDORC-UHFFFAOYSA-N 0 0 187.293 1.044 10 0 ADAERN Cc1nnc([C@H](N)c2cccs2)o1 19729502 572196395 /nfs/dbraw/zinc/19/63/95/572196395.db2.gz DYPZOQXXEVMBLY-SSDOTTSWSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1ccc(-c2nc(C=O)no2)cc1 39247946 572196401 /nfs/dbraw/zinc/19/64/01/572196401.db2.gz IYMLUJBXUMFGJQ-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CC(C)N(C)CC(=O)C(F)(F)F 393350176 572196449 /nfs/dbraw/zinc/19/64/49/572196449.db2.gz QKKHHXQUXXWMSG-UHFFFAOYSA-N 0 0 183.173 1.458 10 0 ADAERN CC[C@H](C)O[C@H](CC)C(N)=S 687712226 572196468 /nfs/dbraw/zinc/19/64/68/572196468.db2.gz WUSOQXBFYQLSGG-NKWVEPMBSA-N 0 0 175.297 1.866 10 0 ADAERN Cc1cc(N)cn2c(C3CC3)nnc12 36241297 572196727 /nfs/dbraw/zinc/19/67/27/572196727.db2.gz MGXYVERIZHYYBB-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN CCn1cc(C[C@@H](O)C2CCC2)cn1 83120951 572196508 /nfs/dbraw/zinc/19/65/08/572196508.db2.gz VPBLGRKURJWYID-LLVKDONJSA-N 0 0 194.278 1.607 10 0 ADAERN C[C@@H](CC(F)F)CC(CO)CO 687921165 572196526 /nfs/dbraw/zinc/19/65/26/572196526.db2.gz HIMROQQFEXCYIK-ZCFIWIBFSA-N 0 0 182.210 1.269 10 0 ADAERN CCCCNc1ccc(NN)cn1 36221228 572196552 /nfs/dbraw/zinc/19/65/52/572196552.db2.gz RPZWMFDCNNFFBR-UHFFFAOYSA-N 0 0 180.255 1.579 10 0 ADAERN CC[C@H](C(N)=S)n1nc(C)cc1C 43540924 572196734 /nfs/dbraw/zinc/19/67/34/572196734.db2.gz GTUFGCAPWKNDHO-MRVPVSSYSA-N 0 0 197.307 1.737 10 0 ADAERN C=CC(=O)N1C[C@@H](CC)[NH2+]C[C@H]1CC 83117677 572196583 /nfs/dbraw/zinc/19/65/83/572196583.db2.gz CXMQSUMRRAQEAP-NXEZZACHSA-N 0 0 196.294 1.161 10 0 ADAERN CC(C)Nc1ccc(NN)cn1 36221230 572196616 /nfs/dbraw/zinc/19/66/16/572196616.db2.gz VNBZMMQBLPNWDZ-UHFFFAOYSA-N 0 0 166.228 1.188 10 0 ADAERN Cc1nc2c(N)ccc(C)n2c1C 36226502 572196967 /nfs/dbraw/zinc/19/69/67/572196967.db2.gz AERXFQFLKQAQDJ-UHFFFAOYSA-N 0 0 175.235 1.842 10 0 ADAERN Cc1csc2nc(C=O)cn12 19767944 572196758 /nfs/dbraw/zinc/19/67/58/572196758.db2.gz NNXSKICCFYRGJX-UHFFFAOYSA-N 0 0 166.205 1.517 10 0 ADAERN Cc1ccn2c(C)c(C)nc2c1N 36243668 572196825 /nfs/dbraw/zinc/19/68/25/572196825.db2.gz IGYCHPDCJMUOSJ-UHFFFAOYSA-N 0 0 175.235 1.842 10 0 ADAERN CCn1cc(-c2cc(N)n[nH]2)c(C)n1 19737415 572196838 /nfs/dbraw/zinc/19/68/38/572196838.db2.gz AHXHNCJWTYGQDW-UHFFFAOYSA-N 0 0 191.238 1.184 10 0 ADAERN CCC(=O)N1C[C@H](CC)[NH2+]C[C@@H]1CC 83117644 572196843 /nfs/dbraw/zinc/19/68/43/572196843.db2.gz ZIYHJJXMPJJWRU-UWVGGRQHSA-N 0 0 198.310 1.385 10 0 ADAERN Cc1cccc(Cc2c[nH]nc2N)c1 19730119 572196856 /nfs/dbraw/zinc/19/68/56/572196856.db2.gz IGNDUPFLSGFVMH-UHFFFAOYSA-N 0 0 187.246 1.891 10 0 ADAERN CCCN(C)c1cncc(Cl)n1 43537666 572196879 /nfs/dbraw/zinc/19/68/79/572196879.db2.gz DAAQZRBKMMYAAX-UHFFFAOYSA-N 0 0 185.658 1.976 10 0 ADAERN Oc1c(C2(O)CC2)ccc2ocnc12 214619348 572196916 /nfs/dbraw/zinc/19/69/16/572196916.db2.gz LDUBTYIWXDAAGO-UHFFFAOYSA-N 0 0 191.186 1.515 10 0 ADAERN CC(C)COc1ccc[nH]c1=O 36223291 572196993 /nfs/dbraw/zinc/19/69/93/572196993.db2.gz KMUWGXIRSUEIQQ-UHFFFAOYSA-N 0 0 167.208 1.410 10 0 ADAERN CCc1nnc2c(C)cc(N)cn12 36241288 572197032 /nfs/dbraw/zinc/19/70/32/572197032.db2.gz PNVYQHUAVBCNCO-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CCOC(=O)[C@@]1(O)CC[C@H](CC)C1 70212427 572197050 /nfs/dbraw/zinc/19/70/50/572197050.db2.gz UBCVAKIRDLCQII-WCBMZHEXSA-N 0 0 186.251 1.491 10 0 ADAERN CCOc1cc(C=O)cc(N)c1O 36225083 572197080 /nfs/dbraw/zinc/19/70/80/572197080.db2.gz GMDGFNWZHRTBHL-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN C[C@@H]1CNc2ccc(N)cc2O1 19755491 572197081 /nfs/dbraw/zinc/19/70/81/572197081.db2.gz WYTUKHIGLDUCIW-ZCFIWIBFSA-N 0 0 164.208 1.462 10 0 ADAERN CCOCCCNc1cnnn1CC 300973535 572197186 /nfs/dbraw/zinc/19/71/86/572197186.db2.gz QZWDRSQMBIXPNE-UHFFFAOYSA-N 0 0 198.270 1.137 10 0 ADAERN Cc1nnc([C@H](N)c2ccco2)o1 19729500 572197192 /nfs/dbraw/zinc/19/71/92/572197192.db2.gz AJRMHORRSNERIN-SSDOTTSWSA-N 0 0 179.179 1.019 10 0 ADAERN Cc1cnc2c(c1)OCCN2C 112992638 572197137 /nfs/dbraw/zinc/19/71/37/572197137.db2.gz WWYQUVRQRXJULJ-UHFFFAOYSA-N 0 0 164.208 1.219 10 0 ADAERN C[N@@H+]1CCc2cc(NN)sc2C1 36224433 572197154 /nfs/dbraw/zinc/19/71/54/572197154.db2.gz ZBJVTBZPDAJJGZ-UHFFFAOYSA-N 0 0 183.280 1.022 10 0 ADAERN CCC(=O)N1C[C@@H](CC)[NH2+]C[C@H]1CC 83117641 572197289 /nfs/dbraw/zinc/19/72/89/572197289.db2.gz ZIYHJJXMPJJWRU-NXEZZACHSA-N 0 0 198.310 1.385 10 0 ADAERN C=CC(=O)N1C[C@H](CC)[NH2+]C[C@H]1CC 83117679 572197302 /nfs/dbraw/zinc/19/73/02/572197302.db2.gz CXMQSUMRRAQEAP-VHSXEESVSA-N 0 0 196.294 1.161 10 0 ADAERN CC[C@@H](C)c1cc(CCO)on1 83187275 572197449 /nfs/dbraw/zinc/19/74/49/572197449.db2.gz YNNMWIKHZLESQM-SSDOTTSWSA-N 0 0 169.224 1.723 10 0 ADAERN CCCSN 112999425 572197699 /nfs/dbraw/zinc/19/76/99/572197699.db2.gz LDGBCTQTOHIEGB-UHFFFAOYSA-N 0 0 91.179 1.003 10 0 ADAERN CCCCc1cc(CCO)on1 83187205 572197491 /nfs/dbraw/zinc/19/74/91/572197491.db2.gz NHQAKZVSYIBOCO-UHFFFAOYSA-N 0 0 169.224 1.552 10 0 ADAERN CC[C@H](C)c1cc(CCO)on1 83187279 572197552 /nfs/dbraw/zinc/19/75/52/572197552.db2.gz YNNMWIKHZLESQM-ZETCQYMHSA-N 0 0 169.224 1.723 10 0 ADAERN CCC(=O)N1C[C@@H](CC)[NH2+]C[C@@H]1CC 83117642 572197675 /nfs/dbraw/zinc/19/76/75/572197675.db2.gz ZIYHJJXMPJJWRU-ZJUUUORDSA-N 0 0 198.310 1.385 10 0 ADAERN CC1(C)CNc2c(N)cccc2O1 36242044 572197640 /nfs/dbraw/zinc/19/76/40/572197640.db2.gz LFJTUKPEBQFKRQ-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN Cc1nnc([C@@H](N)c2ccco2)o1 19729499 572197746 /nfs/dbraw/zinc/19/77/46/572197746.db2.gz AJRMHORRSNERIN-ZETCQYMHSA-N 0 0 179.179 1.019 10 0 ADAERN CCOC(=O)[C@]1(O)CC[C@@H](CC)C1 70212428 572197762 /nfs/dbraw/zinc/19/77/62/572197762.db2.gz UBCVAKIRDLCQII-SCZZXKLOSA-N 0 0 186.251 1.491 10 0 ADAERN CC[C@H]1CNc2ccc(N)cc2O1 19755495 572197764 /nfs/dbraw/zinc/19/77/64/572197764.db2.gz FGPRSAODBKCVRD-QMMMGPOBSA-N 0 0 178.235 1.852 10 0 ADAERN CCc1ccc(CON)cc1 19733282 572197807 /nfs/dbraw/zinc/19/78/07/572197807.db2.gz AGWWRHYKWMCURI-UHFFFAOYSA-N 0 0 151.209 1.639 10 0 ADAERN C[C@@H](ON)c1ccc(F)cc1 19728752 572197813 /nfs/dbraw/zinc/19/78/13/572197813.db2.gz RNWGFSUTDXZRGL-ZCFIWIBFSA-N 0 0 155.172 1.777 10 0 ADAERN Oc1c(C2(O)CC2)ccc2ncoc12 214619422 572197819 /nfs/dbraw/zinc/19/78/19/572197819.db2.gz NISHUSFTWAVKCQ-UHFFFAOYSA-N 0 0 191.186 1.515 10 0 ADAERN Cc1ccccc1-c1nc(C=O)no1 39247947 572197830 /nfs/dbraw/zinc/19/78/30/572197830.db2.gz PAJLOBOADBUNFB-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)n1ccnc1 234093772 572197869 /nfs/dbraw/zinc/19/78/69/572197869.db2.gz BIQRSOJFHWJIDI-YUMQZZPRSA-N 0 0 179.223 1.239 10 0 ADAERN Cc1ccn2cc(C(N)=S)nc2c1 36226539 572197951 /nfs/dbraw/zinc/19/79/51/572197951.db2.gz MIUZKASSCSUCQM-UHFFFAOYSA-N 0 0 191.259 1.277 10 0 ADAERN CN(C)CC(=O)c1cccc(N)c1 19731455 572197974 /nfs/dbraw/zinc/19/79/74/572197974.db2.gz PCJXEFPWOYPKFE-UHFFFAOYSA-N 0 0 178.235 1.013 10 0 ADAERN C=CC(=O)N1C[C@@H](CC)[NH2+]C[C@@H]1CC 83117678 572197983 /nfs/dbraw/zinc/19/79/83/572197983.db2.gz CXMQSUMRRAQEAP-ZJUUUORDSA-N 0 0 196.294 1.161 10 0 ADAERN CN(C)CC(=O)c1ccc(N)cc1 19731376 572198008 /nfs/dbraw/zinc/19/80/08/572198008.db2.gz NJYKLCLPTDVZGT-UHFFFAOYSA-N 0 0 178.235 1.013 10 0 ADAERN Cc1ccc(Cc2c[nH]nc2N)cc1 19730120 572198071 /nfs/dbraw/zinc/19/80/71/572198071.db2.gz YHKQVTIWVLKDDB-UHFFFAOYSA-N 0 0 187.246 1.891 10 0 ADAERN CC(C)(C)Cc1cc(CCO)on1 83187231 572198078 /nfs/dbraw/zinc/19/80/78/572198078.db2.gz ODRGAKICKUACSJ-UHFFFAOYSA-N 0 0 183.251 1.798 10 0 ADAERN CCn1cc(C[C@H](O)C2CCC2)cn1 83120948 572198093 /nfs/dbraw/zinc/19/80/93/572198093.db2.gz VPBLGRKURJWYID-NSHDSACASA-N 0 0 194.278 1.607 10 0 ADAERN CCO[C@H](CC)C(N)=S 43541378 572198111 /nfs/dbraw/zinc/19/81/11/572198111.db2.gz QJKQKVCORAQRLR-RXMQYKEDSA-N 0 0 147.243 1.088 10 0 ADAERN CC(C)OCCC1(O)CCC1 687792904 572198147 /nfs/dbraw/zinc/19/81/47/572198147.db2.gz ALEJCEFSFJCFHB-UHFFFAOYSA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@H](C(N)=S)n1ccnc1C 43540920 572198163 /nfs/dbraw/zinc/19/81/63/572198163.db2.gz RXDMSVOSFUNKRZ-SSDOTTSWSA-N 0 0 183.280 1.429 10 0 ADAERN CC[C@@H](C(N)=S)n1ccnc1C 43540919 572198169 /nfs/dbraw/zinc/19/81/69/572198169.db2.gz RXDMSVOSFUNKRZ-ZETCQYMHSA-N 0 0 183.280 1.429 10 0 ADAERN CC[C@H](O[C@H](C)CC)C(N)=S 687712228 572198215 /nfs/dbraw/zinc/19/82/15/572198215.db2.gz WUSOQXBFYQLSGG-RQJHMYQMSA-N 0 0 175.297 1.866 10 0 ADAERN CCc1ccc(NN)s1 36224423 572198357 /nfs/dbraw/zinc/19/83/57/572198357.db2.gz FPSPERWNFRTXBQ-UHFFFAOYSA-N 0 0 142.227 1.596 10 0 ADAERN CC(C)Cc1cc(CCO)on1 83187148 572198396 /nfs/dbraw/zinc/19/83/96/572198396.db2.gz BYEPQWIDBUHQHZ-UHFFFAOYSA-N 0 0 169.224 1.408 10 0 ADAERN C[C@@H]1CNc2cc(N)ccc2O1 19755478 572198422 /nfs/dbraw/zinc/19/84/22/572198422.db2.gz BBBWFCMXFPIEIO-ZCFIWIBFSA-N 0 0 164.208 1.462 10 0 ADAERN CCC(=O)N1C[C@H](CC)[NH2+]C[C@H]1CC 83117643 572198449 /nfs/dbraw/zinc/19/84/49/572198449.db2.gz ZIYHJJXMPJJWRU-VHSXEESVSA-N 0 0 198.310 1.385 10 0 ADAERN C[C@H](CC(F)F)CC(CO)CO 687921161 572198488 /nfs/dbraw/zinc/19/84/88/572198488.db2.gz HIMROQQFEXCYIK-LURJTMIESA-N 0 0 182.210 1.269 10 0 ADAERN Cc1cccc2nc(C(N)=S)cn12 36226541 572198521 /nfs/dbraw/zinc/19/85/21/572198521.db2.gz VLDQFAFPDYANBA-UHFFFAOYSA-N 0 0 191.259 1.277 10 0 ADAERN CCO[C@@H](CC)C(N)=S 43541377 572198524 /nfs/dbraw/zinc/19/85/24/572198524.db2.gz QJKQKVCORAQRLR-YFKPBYRVSA-N 0 0 147.243 1.088 10 0 ADAERN CCCCCc1cc(CCO)on1 83187295 572198534 /nfs/dbraw/zinc/19/85/34/572198534.db2.gz BDCFNSVCOWHSAD-UHFFFAOYSA-N 0 0 183.251 1.942 10 0 ADAERN O=c1cc(-c2ccc(O)cc2)[nH]o1 249914839 572198872 /nfs/dbraw/zinc/19/88/72/572198872.db2.gz RBAOFEMBKIWQFC-UHFFFAOYSA-N 0 0 177.159 1.753 10 0 ADAERN CCCOC[C@@]1(O)CCOC[C@H]1C 300972306 572198873 /nfs/dbraw/zinc/19/88/73/572198873.db2.gz HHNYJZICYBJDDV-ZJUUUORDSA-N 0 0 188.267 1.201 10 0 ADAERN CC[C@H](C)O[C@@H](CC)C(N)=S 687712225 572198538 /nfs/dbraw/zinc/19/85/38/572198538.db2.gz WUSOQXBFYQLSGG-BQBZGAKWSA-N 0 0 175.297 1.866 10 0 ADAERN CCN(C(=O)C(C)C)[C@@H](C)COC 70234353 572200166 /nfs/dbraw/zinc/20/01/66/572200166.db2.gz YAJNBZQIVYIUNZ-VIFPVBQESA-N 0 0 187.283 1.526 10 0 ADAERN CC[C@H](OC(C)(C)C)C(N)=S 43541836 572198749 /nfs/dbraw/zinc/19/87/49/572198749.db2.gz JXOIIGWZUIGHRX-LURJTMIESA-N 0 0 175.297 1.866 10 0 ADAERN CC[C@@H](C)Nc1ccc(NN)cn1 36221214 572198784 /nfs/dbraw/zinc/19/87/84/572198784.db2.gz MHZUUYZFZCMLSU-SSDOTTSWSA-N 0 0 180.255 1.578 10 0 ADAERN Cc1cc(N)c2nc(C)cn2c1 19775877 572198852 /nfs/dbraw/zinc/19/88/52/572198852.db2.gz VGVGFZRSKWISBH-UHFFFAOYSA-N 0 0 161.208 1.533 10 0 ADAERN CCCCc1nnc2ccc(N)cn12 19753806 572198886 /nfs/dbraw/zinc/19/88/86/572198886.db2.gz KWVYTKZZYJZSEM-UHFFFAOYSA-N 0 0 190.250 1.654 10 0 ADAERN C[C@H](ON)c1cccs1 19728737 572198917 /nfs/dbraw/zinc/19/89/17/572198917.db2.gz BLEIGXOIWRUSOV-YFKPBYRVSA-N 0 0 143.211 1.699 10 0 ADAERN CCOC(=O)[C@@]1(O)CC[C@@H](CC)C1 70212426 572198922 /nfs/dbraw/zinc/19/89/22/572198922.db2.gz UBCVAKIRDLCQII-PSASIEDQSA-N 0 0 186.251 1.491 10 0 ADAERN ONCCOc1ccccc1 19727904 572198940 /nfs/dbraw/zinc/19/89/40/572198940.db2.gz PSGRWPOIYRLKOJ-UHFFFAOYSA-N 0 0 153.181 1.044 10 0 ADAERN CC[C@@H](C)O[C@H](CC)C(N)=S 687712227 572198965 /nfs/dbraw/zinc/19/89/65/572198965.db2.gz WUSOQXBFYQLSGG-RNFRBKRXSA-N 0 0 175.297 1.866 10 0 ADAERN C[C@H]1CNc2c(N)cccc2O1 36242043 572198978 /nfs/dbraw/zinc/19/89/78/572198978.db2.gz WYNZHYXWAVNWMD-LURJTMIESA-N 0 0 164.208 1.462 10 0 ADAERN Cc1ccc([C@@H](C)ON)cc1 19728738 572199034 /nfs/dbraw/zinc/19/90/34/572199034.db2.gz AZWRFOKVUZEJIP-MRVPVSSYSA-N 0 0 151.209 1.946 10 0 ADAERN CC(C)CCNc1ccc(NN)cn1 36221327 572199063 /nfs/dbraw/zinc/19/90/63/572199063.db2.gz ZTVKXIBEDUMNBS-UHFFFAOYSA-N 0 0 194.282 1.825 10 0 ADAERN CCC[C@@H](C)NS(=O)(=O)C(C)C 70227805 572200584 /nfs/dbraw/zinc/20/05/84/572200584.db2.gz KPQRTRLIEWNOOP-MRVPVSSYSA-N 0 0 193.312 1.503 10 0 ADAERN Cc1cc(NN)sc1C(=O)N(C)C 36224450 572199088 /nfs/dbraw/zinc/19/90/88/572199088.db2.gz VCEFYKNRUJVOOZ-UHFFFAOYSA-N 0 0 199.279 1.044 10 0 ADAERN CC[C@H]1N[C@@H](C)C(=O)N1CC1(C)CC1 234091385 572199127 /nfs/dbraw/zinc/19/91/27/572199127.db2.gz GEXJADOJFJGYQP-IUCAKERBSA-N 0 0 196.294 1.343 10 0 ADAERN Cc1ccc(N)c2nnc(C3CC3)n12 36242531 572199129 /nfs/dbraw/zinc/19/91/29/572199129.db2.gz KUXXWVHDXVQDNG-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN CCc1nc2c(N)cccn2c1C 36221942 572199156 /nfs/dbraw/zinc/19/91/56/572199156.db2.gz XEWITTBICTUOTE-UHFFFAOYSA-N 0 0 175.235 1.787 10 0 ADAERN Cc1ccnc(NC(C)(C)C(N)=O)c1 43561592 572199159 /nfs/dbraw/zinc/19/91/59/572199159.db2.gz KCHAGCCNYIHTML-UHFFFAOYSA-N 0 0 193.250 1.066 10 0 ADAERN O=CN(Cc1cccnc1)C1CC1 83144927 572199203 /nfs/dbraw/zinc/19/92/03/572199203.db2.gz OJCOADUOVIPBOR-UHFFFAOYSA-N 0 0 176.219 1.202 10 0 ADAERN CCCN(C=O)CC(F)(F)F 83145359 572199227 /nfs/dbraw/zinc/19/92/27/572199227.db2.gz CSIPJTATXYYBIF-UHFFFAOYSA-N 0 0 169.146 1.417 10 0 ADAERN CN[C@@H](C(F)F)C(C)(C)SC 686231060 572199244 /nfs/dbraw/zinc/19/92/44/572199244.db2.gz WPFCXZUELLZRJX-YFKPBYRVSA-N 0 0 183.267 1.981 10 0 ADAERN Nc1ncnc([C@H]2Cc3ccccc32)n1 83137420 572199248 /nfs/dbraw/zinc/19/92/48/572199248.db2.gz DGPHASGRUIMBNY-VIFPVBQESA-N 0 0 198.229 1.142 10 0 ADAERN C=Cn1ccnc1-c1ncc[nH]1 78220107 572199296 /nfs/dbraw/zinc/19/92/96/572199296.db2.gz MGGLUABLHFGMQI-UHFFFAOYSA-N 0 0 160.180 1.374 10 0 ADAERN CCCOC[C@]1(O)CCOC[C@H]1C 300972301 572199300 /nfs/dbraw/zinc/19/93/00/572199300.db2.gz HHNYJZICYBJDDV-NXEZZACHSA-N 0 0 188.267 1.201 10 0 ADAERN CCOC(=O)[C@@H](C)c1ncccn1 39121020 572199315 /nfs/dbraw/zinc/19/93/15/572199315.db2.gz DXIQUQYLOVOVHV-ZETCQYMHSA-N 0 0 180.207 1.143 10 0 ADAERN CCc1ccc2c(c1)CC(=O)NC2=O 36244069 572199316 /nfs/dbraw/zinc/19/93/16/572199316.db2.gz FMZHMXPBYKBGLK-UHFFFAOYSA-N 0 0 189.214 1.062 10 0 ADAERN CCOc1ccc(C=O)cc1N 36225194 572199359 /nfs/dbraw/zinc/19/93/59/572199359.db2.gz LOOPRVOZZCGTFA-UHFFFAOYSA-N 0 0 165.192 1.480 10 0 ADAERN C[C@@](CO)(NC1CC1)c1nccs1 83144091 572199416 /nfs/dbraw/zinc/19/94/16/572199416.db2.gz FQFVKMKGAVVZEI-VIFPVBQESA-N 0 0 198.291 1.103 10 0 ADAERN Cc1cn2cc(Cl)cc(N)c2n1 36242411 572199420 /nfs/dbraw/zinc/19/94/20/572199420.db2.gz MDAXCRVXSICMCB-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN CCO[C@H](C1CC1)[C@H](N)C(F)F 686231099 572199424 /nfs/dbraw/zinc/19/94/24/572199424.db2.gz YMWRMFUAAPBOPO-NKWVEPMBSA-N 0 0 179.210 1.394 10 0 ADAERN CCc1nnc2c(N)ccc(C)n12 36242519 572199445 /nfs/dbraw/zinc/19/94/45/572199445.db2.gz WEDQUKOTECOVKC-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CC[C@@H](NC=O)c1ccc(OC)cc1 83145159 572199455 /nfs/dbraw/zinc/19/94/55/572199455.db2.gz XZCBUPRDZVZCQI-LLVKDONJSA-N 0 0 193.246 1.892 10 0 ADAERN CCOC(=O)[C@]1(O)CC[C@H](CC)C1 70212429 572199463 /nfs/dbraw/zinc/19/94/63/572199463.db2.gz UBCVAKIRDLCQII-WPRPVWTQSA-N 0 0 186.251 1.491 10 0 ADAERN CCCCC(=O)N[C@H](C)C(C)=O 83152028 572202678 /nfs/dbraw/zinc/20/26/78/572202678.db2.gz ITGZGWKUNSTIHB-SSDOTTSWSA-N 0 0 171.240 1.270 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1CC[NH3+] 36196250 572199488 /nfs/dbraw/zinc/19/94/88/572199488.db2.gz OCJFVGWUSFDWPJ-UHFFFAOYSA-N 0 0 179.219 1.194 10 0 ADAERN CCOC(=O)[C@H](C)c1ncccn1 39121022 572199489 /nfs/dbraw/zinc/19/94/89/572199489.db2.gz DXIQUQYLOVOVHV-SSDOTTSWSA-N 0 0 180.207 1.143 10 0 ADAERN COc1cccc([C@@H](C)ON)c1 39089604 572200514 /nfs/dbraw/zinc/20/05/14/572200514.db2.gz PLZISGULSMCNML-SSDOTTSWSA-N 0 0 167.208 1.647 10 0 ADAERN C[C@H](C1CC1)N(C=O)CC(F)(F)F 83144976 572199573 /nfs/dbraw/zinc/19/95/73/572199573.db2.gz SITVKZOZGYIKAU-ZCFIWIBFSA-N 0 0 195.184 1.806 10 0 ADAERN CC[C@@H](NC=O)c1ccccc1OC 83145285 572199608 /nfs/dbraw/zinc/19/96/08/572199608.db2.gz VNGGJMIUDZYHBV-SNVBAGLBSA-N 0 0 193.246 1.892 10 0 ADAERN Nc1ccnc([C@@H]2Cc3ccccc32)n1 83123655 572199663 /nfs/dbraw/zinc/19/96/63/572199663.db2.gz ULDHVEGBHSZJHX-SNVBAGLBSA-N 0 0 197.241 1.747 10 0 ADAERN COC(=O)N(C)c1cccc(OC)c1 39090508 572199674 /nfs/dbraw/zinc/19/96/74/572199674.db2.gz FDTLAEXBUVGYAA-UHFFFAOYSA-N 0 0 195.218 1.898 10 0 ADAERN CCOC(=O)NCCCOC(C)C 70223536 572204316 /nfs/dbraw/zinc/20/43/16/572204316.db2.gz SFMAVCFMSMCLAV-UHFFFAOYSA-N 0 0 189.255 1.548 10 0 ADAERN CCOc1ccccc1CN(C)C=O 83145247 572199708 /nfs/dbraw/zinc/19/97/08/572199708.db2.gz VDFMAVLECWZIGZ-UHFFFAOYSA-N 0 0 193.246 1.674 10 0 ADAERN Cc1cc(C[NH3+])cc(C)c1C(=O)[O-] 19801614 572199717 /nfs/dbraw/zinc/19/97/17/572199717.db2.gz SEGJVOFMWUKOED-UHFFFAOYSA-N 0 0 179.219 1.460 10 0 ADAERN Cc1ccccc1OCCN(C)C=O 83144936 572199729 /nfs/dbraw/zinc/19/97/29/572199729.db2.gz BBGSDVALWFORMA-UHFFFAOYSA-N 0 0 193.246 1.462 10 0 ADAERN C[C@@H](O)CCc1nc(C2CCC2)no1 83137124 572199772 /nfs/dbraw/zinc/19/97/72/572199772.db2.gz HVRYCUSPEQYNPM-SSDOTTSWSA-N 0 0 196.250 1.651 10 0 ADAERN CCCCN(C=O)CC(F)(F)F 83145358 572199778 /nfs/dbraw/zinc/19/97/78/572199778.db2.gz MRSHUGJKFZMAOI-UHFFFAOYSA-N 0 0 183.173 1.807 10 0 ADAERN CCC(CC)N(C)C(=O)COC 70225752 572204902 /nfs/dbraw/zinc/20/49/02/572204902.db2.gz OEAYNDGLAGZOKG-UHFFFAOYSA-N 0 0 173.256 1.280 10 0 ADAERN O=CN(Cc1ccncc1)C1CC1 83144953 572199806 /nfs/dbraw/zinc/19/98/06/572199806.db2.gz QHKPSVNVIBDRIT-UHFFFAOYSA-N 0 0 176.219 1.202 10 0 ADAERN CCC(=O)N1C[C@@H]2CC[C@H]1C2 70227366 572199820 /nfs/dbraw/zinc/19/98/20/572199820.db2.gz OZGLYPPEJOWJHB-SFYZADRCSA-N 0 0 153.225 1.407 10 0 ADAERN CC(C)CONCc1cnoc1 686230417 572199825 /nfs/dbraw/zinc/19/98/25/572199825.db2.gz GAOLOYNETGTYKQ-UHFFFAOYSA-N 0 0 170.212 1.352 10 0 ADAERN CCN[C@@H](C[C@@H](C)OC)C(F)F 686231029 572199867 /nfs/dbraw/zinc/19/98/67/572199867.db2.gz VJFYKNJRXWJCBY-RQJHMYQMSA-N 0 0 181.226 1.655 10 0 ADAERN CN(C=O)CCCOc1ccccc1 83145082 572199883 /nfs/dbraw/zinc/19/98/83/572199883.db2.gz NPBFADVAFRVYQJ-UHFFFAOYSA-N 0 0 193.246 1.544 10 0 ADAERN CCO[C@@H](C1CC1)[C@@H](N)C(F)F 686231101 572199892 /nfs/dbraw/zinc/19/98/92/572199892.db2.gz YMWRMFUAAPBOPO-RQJHMYQMSA-N 0 0 179.210 1.394 10 0 ADAERN COc1ccccc1[C@H](C)N(C)C=O 83145014 572199907 /nfs/dbraw/zinc/19/99/07/572199907.db2.gz FZEOLMZLVIRMFY-VIFPVBQESA-N 0 0 193.246 1.844 10 0 ADAERN COc1cccc(OC)c1CON 39090143 572199930 /nfs/dbraw/zinc/19/99/30/572199930.db2.gz HLBJYEJXQZILBA-UHFFFAOYSA-N 0 0 183.207 1.094 10 0 ADAERN CC[C@H](NC=O)c1ccccc1OC 83145284 572199936 /nfs/dbraw/zinc/19/99/36/572199936.db2.gz VNGGJMIUDZYHBV-JTQLQIEISA-N 0 0 193.246 1.892 10 0 ADAERN CCOCC(=O)N1C[C@H]2CC[C@@H]1C2 70227375 572199959 /nfs/dbraw/zinc/19/99/59/572199959.db2.gz LGRKMQSOTROGQL-DTWKUNHWSA-N 0 0 183.251 1.034 10 0 ADAERN CCc1nnc2cc(C)c(N)cn12 36252141 572199964 /nfs/dbraw/zinc/19/99/64/572199964.db2.gz KNXJIMGETFWFPJ-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CCCN(CCCO)C(=O)CC 39138917 572199968 /nfs/dbraw/zinc/19/99/68/572199968.db2.gz PVLCOHRMPGHWFL-UHFFFAOYSA-N 0 0 173.256 1.017 10 0 ADAERN Cc1ccc(OCCN(C)C=O)cc1 83144933 572199969 /nfs/dbraw/zinc/19/99/69/572199969.db2.gz PMAQYFHSKWXCFY-UHFFFAOYSA-N 0 0 193.246 1.462 10 0 ADAERN CCOC(=O)N[C@H](C)Cn1ccnc1 70227561 572199985 /nfs/dbraw/zinc/19/99/85/572199985.db2.gz PKNOAOOSIAFDHX-MRVPVSSYSA-N 0 0 197.238 1.018 10 0 ADAERN CC(=O)N1C[C@H]2CC[C@@H]1C2 70227371 572201241 /nfs/dbraw/zinc/20/12/41/572201241.db2.gz IGUNJQJRUUIANR-JGVFFNPUSA-N 0 0 139.198 1.017 10 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ADAERN CN(C=O)CCOc1ccccc1F 83144935 572200150 /nfs/dbraw/zinc/20/01/50/572200150.db2.gz MDKHCPKGEVTZAK-UHFFFAOYSA-N 0 0 197.209 1.293 10 0 ADAERN CCOC[C@@H](C)NC(=O)c1ccco1 70228401 572200163 /nfs/dbraw/zinc/20/01/63/572200163.db2.gz BCFNDAJRDMSDEW-MRVPVSSYSA-N 0 0 197.234 1.434 10 0 ADAERN CC(C)CN(C=O)CC(F)(F)F 83145376 572200202 /nfs/dbraw/zinc/20/02/02/572200202.db2.gz LKPFKVSXLJRCHZ-UHFFFAOYSA-N 0 0 183.173 1.663 10 0 ADAERN Nc1ccnc([C@H]2Cc3ccccc32)n1 83123653 572200221 /nfs/dbraw/zinc/20/02/21/572200221.db2.gz ULDHVEGBHSZJHX-JTQLQIEISA-N 0 0 197.241 1.747 10 0 ADAERN CC(=O)CCc1nc(C2CCC2)no1 83136968 572200226 /nfs/dbraw/zinc/20/02/26/572200226.db2.gz RMEMEJLXAZNSRS-UHFFFAOYSA-N 0 0 194.234 1.859 10 0 ADAERN Cc1cn2cc(C=O)nc2s1 36254600 572200228 /nfs/dbraw/zinc/20/02/28/572200228.db2.gz WPIBHDDZFDMIQZ-UHFFFAOYSA-N 0 0 166.205 1.517 10 0 ADAERN CC(C)CCNS(=O)(=O)C(C)C 70227790 572200279 /nfs/dbraw/zinc/20/02/79/572200279.db2.gz QNRVKPVOAKTCCC-UHFFFAOYSA-N 0 0 193.312 1.360 10 0 ADAERN Cc1cc(C)c(OCCO)cc1C 19786115 572200364 /nfs/dbraw/zinc/20/03/64/572200364.db2.gz NXEGPSKCYQUIBT-UHFFFAOYSA-N 0 0 180.247 1.983 10 0 ADAERN C[C@H](CCc1ccco1)NC=O 83145059 572200309 /nfs/dbraw/zinc/20/03/09/572200309.db2.gz TUEYYBUCYLHBBG-MRVPVSSYSA-N 0 0 167.208 1.347 10 0 ADAERN CC(C)S(=O)(=O)N(C)CC1CC1 70228016 572200326 /nfs/dbraw/zinc/20/03/26/572200326.db2.gz UDQAHDRCUYJITC-UHFFFAOYSA-N 0 0 191.296 1.066 10 0 ADAERN CCOC(=O)C(C)(C)C(=O)C1CCC1 83123538 572200330 /nfs/dbraw/zinc/20/03/30/572200330.db2.gz OBBIRSVZDXXACD-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN CC(=O)N1C[C@@H]2CC[C@H]1C2 70227372 572200350 /nfs/dbraw/zinc/20/03/50/572200350.db2.gz IGUNJQJRUUIANR-SFYZADRCSA-N 0 0 139.198 1.017 10 0 ADAERN O=CN(Cc1ccccn1)C1CC1 83144952 572200351 /nfs/dbraw/zinc/20/03/51/572200351.db2.gz BCOACYVPIGMJJK-UHFFFAOYSA-N 0 0 176.219 1.202 10 0 ADAERN C[C@H](O)CCc1nc(C2CCC2)no1 83137123 572200362 /nfs/dbraw/zinc/20/03/62/572200362.db2.gz HVRYCUSPEQYNPM-ZETCQYMHSA-N 0 0 196.250 1.651 10 0 ADAERN C[C@@H](CCc1ccc(O)cc1)NC=O 83145440 572200379 /nfs/dbraw/zinc/20/03/79/572200379.db2.gz XOMTVFJIXDOKOU-VIFPVBQESA-N 0 0 193.246 1.459 10 0 ADAERN CC[C@@H](C)N(CCOC)C(=O)C1CC1 70227030 572201260 /nfs/dbraw/zinc/20/12/60/572201260.db2.gz IDQQLBBCMYABDD-SECBINFHSA-N 0 0 199.294 1.670 10 0 ADAERN O=C(C1CC1)N1C[C@H]2CC[C@@H]1C2 70227369 572200382 /nfs/dbraw/zinc/20/03/82/572200382.db2.gz KNYZZGJAASOJNA-IONNQARKSA-N 0 0 165.236 1.407 10 0 ADAERN CCOCC(=O)N(C)C(CC)CC 70227015 572201261 /nfs/dbraw/zinc/20/12/61/572201261.db2.gz VXQLJNXDTWBBGZ-UHFFFAOYSA-N 0 0 187.283 1.670 10 0 ADAERN [NH3+]CCCOc1cccc(C(=O)[O-])c1 70234428 572200399 /nfs/dbraw/zinc/20/03/99/572200399.db2.gz XDPBAEWQFCPLMF-UHFFFAOYSA-N 0 0 195.218 1.112 10 0 ADAERN COC(=O)CS[C@H]1CCC(=O)C1 70234006 572200423 /nfs/dbraw/zinc/20/04/23/572200423.db2.gz IEMCKHGDAHGZBJ-ZETCQYMHSA-N 0 0 188.248 1.014 10 0 ADAERN O=C(C1CC1)N1C[C@@H]2CC[C@H]1C2 70227370 572200440 /nfs/dbraw/zinc/20/04/40/572200440.db2.gz KNYZZGJAASOJNA-APPZFPTMSA-N 0 0 165.236 1.407 10 0 ADAERN O=C(CCCO)NCc1cccs1 38974124 572200442 /nfs/dbraw/zinc/20/04/42/572200442.db2.gz HJLXDAIKHQOKJL-UHFFFAOYSA-N 0 0 199.275 1.137 10 0 ADAERN C[C@](CO)(NC1CC1)c1nccs1 83144089 572200472 /nfs/dbraw/zinc/20/04/72/572200472.db2.gz FQFVKMKGAVVZEI-SECBINFHSA-N 0 0 198.291 1.103 10 0 ADAERN CC(C)S(=O)(=O)N[C@@H](C)C1CC1 70227869 572200473 /nfs/dbraw/zinc/20/04/73/572200473.db2.gz ZTORAGDRVOSSLG-ZETCQYMHSA-N 0 0 191.296 1.113 10 0 ADAERN CC[C@@H]1Oc2cc(O)ccc2NC1=O 36259758 572200482 /nfs/dbraw/zinc/20/04/82/572200482.db2.gz HFTXXPIRIFMURO-QMMMGPOBSA-N 0 0 193.202 1.502 10 0 ADAERN C[C@H](CCc1ccc(O)cc1)NC=O 83145441 572200489 /nfs/dbraw/zinc/20/04/89/572200489.db2.gz XOMTVFJIXDOKOU-SECBINFHSA-N 0 0 193.246 1.459 10 0 ADAERN COCCN(C(=O)C1CC1)C1CC1 70226988 572201267 /nfs/dbraw/zinc/20/12/67/572201267.db2.gz ZCZNEKKFUAPBJJ-UHFFFAOYSA-N 0 0 183.251 1.034 10 0 ADAERN CCCC[C@@H](CC)CNC=O 83145039 572200526 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83395925 572209797 /nfs/dbraw/zinc/20/97/97/572209797.db2.gz XSKRYXVKWQQPBM-MWLCHTKSSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@]1(Cl)CC=C[C@@H]1O 36437540 572209798 /nfs/dbraw/zinc/20/97/98/572209798.db2.gz SRPJDSUBZXEYCQ-WDSKDSINSA-N 0 0 132.590 1.305 10 0 ADAERN C=C(NC(C)=O)c1cccc(OC)c1 36437126 572209816 /nfs/dbraw/zinc/20/98/16/572209816.db2.gz FVKDRBQPYJKRPP-UHFFFAOYSA-N 0 0 191.230 1.802 10 0 ADAERN CC(C)(C)C(=O)CC[C@H]1CO1 36437746 572209881 /nfs/dbraw/zinc/20/98/81/572209881.db2.gz SVOPXWJRBSQBTF-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN O=C1CCC[C@]2(O)CCC[C@H]12 36447933 572209895 /nfs/dbraw/zinc/20/98/95/572209895.db2.gz QRTCLBASRMVLFT-VXNVDRBHSA-N 0 0 154.209 1.271 10 0 ADAERN C[C@H](CO)Cc1cc(F)ccc1O 36437050 572209896 /nfs/dbraw/zinc/20/98/96/572209896.db2.gz ZZFCJLMRIFBJMJ-ZETCQYMHSA-N 0 0 184.210 1.702 10 0 ADAERN COC(=O)[C@]1(NC(C)C)CCC[C@@H]1C 83402410 572210000 /nfs/dbraw/zinc/21/00/00/572210000.db2.gz LFUYEBOIEJNLOC-ONGXEEELSA-N 0 0 199.294 1.716 10 0 ADAERN 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193.202 1.332 10 0 ADAERN CC[C@H](C1CC1)[N@H+](C)CC(=O)[O-] 83403452 572210222 /nfs/dbraw/zinc/21/02/22/572210222.db2.gz DRNXGUHLDCPOKL-MRVPVSSYSA-N 0 0 171.240 1.191 10 0 ADAERN CC[NH+](CC)[C@]1(C(=O)[O-])CCC[C@@H]1C 83395921 572210244 /nfs/dbraw/zinc/21/02/44/572210244.db2.gz XSKRYXVKWQQPBM-GXSJLCMTSA-N 0 0 199.294 1.972 10 0 ADAERN COCCCN1CCCSC1 687712737 572210275 /nfs/dbraw/zinc/21/02/75/572210275.db2.gz VHNREFCIYSFIEB-UHFFFAOYSA-N 0 0 175.297 1.419 10 0 ADAERN CC[C@H](C)Oc1ncnc2[nH]cnc12 36459326 572210278 /nfs/dbraw/zinc/21/02/78/572210278.db2.gz HCSUTVBKDQCUSH-LURJTMIESA-N 0 0 192.222 1.530 10 0 ADAERN Cc1nc2sc([C@H](C)N)nn2c1C 20221923 572210282 /nfs/dbraw/zinc/21/02/82/572210282.db2.gz GRHAKXFQTAPCKE-BYPYZUCNSA-N 0 0 196.279 1.427 10 0 ADAERN COC[C@@H](Nc1ccncn1)C(C)C 83400363 572210237 /nfs/dbraw/zinc/21/02/37/572210237.db2.gz FWBMNTKBHKNDNX-SECBINFHSA-N 0 0 195.266 1.560 10 0 ADAERN CCO[C@H](CC)C(=O)[C@@H](C)COC 687795201 572210312 /nfs/dbraw/zinc/21/03/12/572210312.db2.gz JRSXZBATHVMMGP-DTWKUNHWSA-N 0 0 188.267 1.653 10 0 ADAERN CC(C)[C@@H](C)O[C@H](C)C(N)=S 687712786 572210319 /nfs/dbraw/zinc/21/03/19/572210319.db2.gz WVXBUQOJVKUCKI-RNFRBKRXSA-N 0 0 175.297 1.722 10 0 ADAERN C[C@@](O)(CO)C1CCCCC1 196207142 572216560 /nfs/dbraw/zinc/21/65/60/572216560.db2.gz WSIIMESZNUTCBS-SECBINFHSA-N 0 0 158.241 1.310 10 0 ADAERN CC(=O)[C@@H](O)c1ccccc1Cl 36459171 572210327 /nfs/dbraw/zinc/21/03/27/572210327.db2.gz NGQUVFMPEFHGRO-SECBINFHSA-N 0 0 184.622 1.962 10 0 ADAERN COC[C@@H](Nc1cccnn1)C(C)C 83400329 572210329 /nfs/dbraw/zinc/21/03/29/572210329.db2.gz XCSGZXXQEORWKM-SECBINFHSA-N 0 0 195.266 1.560 10 0 ADAERN Cc1occ2c1C(=O)N(C)C2 36458631 572210331 /nfs/dbraw/zinc/21/03/31/572210331.db2.gz LFEIBMLWAHGXIO-UHFFFAOYSA-N 0 0 151.165 1.174 10 0 ADAERN CCO[C@@H](CC)C(=O)[C@H](C)COC 687795200 572210347 /nfs/dbraw/zinc/21/03/47/572210347.db2.gz JRSXZBATHVMMGP-BDAKNGLRSA-N 0 0 188.267 1.653 10 0 ADAERN NC1=NC(=O)c2cccc(Cl)c21 36459087 572210370 /nfs/dbraw/zinc/21/03/70/572210370.db2.gz LOYXNMITOYVGRD-UHFFFAOYSA-N 0 0 180.594 1.199 10 0 ADAERN COC[C@H](C)C(=O)[C@@H](OC)C1CC1 687795221 572210681 /nfs/dbraw/zinc/21/06/81/572210681.db2.gz OOOZWJLOMOGRHA-XVKPBYJWSA-N 0 0 186.251 1.263 10 0 ADAERN CC1=C[C@H](O)O[C@@H](c2cccnc2)C1 36456162 572210383 /nfs/dbraw/zinc/21/03/83/572210383.db2.gz OORGOGWQYVJMBB-GHMZBOCLSA-N 0 0 191.230 1.808 10 0 ADAERN CC(C)C(=O)[C@H]1COC(C)(C)O1 36458888 572210387 /nfs/dbraw/zinc/21/03/87/572210387.db2.gz HVZWTSHBTGHHFB-SSDOTTSWSA-N 0 0 172.224 1.363 10 0 ADAERN CCOCCC(=O)[C@@H](CC)OCC 687795254 572210408 /nfs/dbraw/zinc/21/04/08/572210408.db2.gz HOCCBJMYHGSZPS-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN CCC1([C@@H](O)CCO)CCC1 36455802 572210412 /nfs/dbraw/zinc/21/04/12/572210412.db2.gz FJFJLIZNROTXIV-QMMMGPOBSA-N 0 0 158.241 1.310 10 0 ADAERN COC[C@H](C)C(=O)c1coc(C)n1 687795216 572210427 /nfs/dbraw/zinc/21/04/27/572210427.db2.gz OHEKTDYHRUGBCN-LURJTMIESA-N 0 0 183.207 1.448 10 0 ADAERN CC(=O)CCCn1nc(C)nc1C 41042343 572210457 /nfs/dbraw/zinc/21/04/57/572210457.db2.gz BQUDNAQCZGUSML-UHFFFAOYSA-N 0 0 181.239 1.264 10 0 ADAERN CC(=O)C1CCC(C)(NC=O)CC1 36459135 572210482 /nfs/dbraw/zinc/21/04/82/572210482.db2.gz YIMYIHLJRZROLC-UHFFFAOYSA-N 0 0 183.251 1.270 10 0 ADAERN Cc1cccc(C)c1OC(=O)[C@@H](C)O 36459371 572210526 /nfs/dbraw/zinc/21/05/26/572210526.db2.gz JBRWTLAQLHZVQQ-SECBINFHSA-N 0 0 194.230 1.590 10 0 ADAERN CC(=O)c1ccc2c(c1)CC[C@H]2O 36448182 572210543 /nfs/dbraw/zinc/21/05/43/572210543.db2.gz BEGMSQNRCFKRON-LLVKDONJSA-N 0 0 176.215 1.869 10 0 ADAERN C/C(=C\CO)C(F)(F)F 36455629 572210556 /nfs/dbraw/zinc/21/05/56/572210556.db2.gz ZPBBVQXFDRDVKO-DUXPYHPUSA-N 0 0 140.104 1.487 10 0 ADAERN C[C@@]12CCCCC(=O)[C@@H]1O2 36455632 572210567 /nfs/dbraw/zinc/21/05/67/572210567.db2.gz ZRGFYIZBOFMVNN-JGVFFNPUSA-N 0 0 140.182 1.287 10 0 ADAERN CCCCC[C@@H]1COC(=O)N1 36458707 572210572 /nfs/dbraw/zinc/21/05/72/572210572.db2.gz IENMMBDUNLHWKX-SSDOTTSWSA-N 0 0 157.213 1.675 10 0 ADAERN COC[C@H](Nc1cccnn1)C(C)C 83400330 572210609 /nfs/dbraw/zinc/21/06/09/572210609.db2.gz XCSGZXXQEORWKM-VIFPVBQESA-N 0 0 195.266 1.560 10 0 ADAERN O[C@@H]1C2CCC(CC2)C12CC2 36458641 572210612 /nfs/dbraw/zinc/21/06/12/572210612.db2.gz NKRYADQHFHAWIA-AMDVSUOASA-N 0 0 152.237 1.948 10 0 ADAERN Cc1cc(C)c(-n2cncn2)c(O)c1 36448398 572210704 /nfs/dbraw/zinc/21/07/04/572210704.db2.gz RVNRAUFUBHTCNY-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN Cc1cn2nc([C@@H](C)N)sc2n1 20221920 572210729 /nfs/dbraw/zinc/21/07/29/572210729.db2.gz IOOBPJQOSZWWEG-RXMQYKEDSA-N 0 0 182.252 1.119 10 0 ADAERN CCOC(=O)N[C@@H](COC)C(C)C 83400627 572210744 /nfs/dbraw/zinc/21/07/44/572210744.db2.gz ACDQVYPLRUGEEW-QMMMGPOBSA-N 0 0 189.255 1.404 10 0 ADAERN CN(C)c1cc(=S)cc[nH]1 36458663 572210802 /nfs/dbraw/zinc/21/08/02/572210802.db2.gz NATNICKPQAMTRQ-UHFFFAOYSA-N 0 0 154.238 1.810 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@@H](C)C1CC1 83405466 572210809 /nfs/dbraw/zinc/21/08/09/572210809.db2.gz FFLJKSRCNKUYLT-QMMMGPOBSA-N 0 0 185.267 1.580 10 0 ADAERN CC(=O)c1ccc2c(c1O)OCO2 36456017 572211257 /nfs/dbraw/zinc/21/12/57/572211257.db2.gz BCJOWOMWXPBDQF-UHFFFAOYSA-N 0 0 180.159 1.324 10 0 ADAERN c1ccc2c(c1)O[C@@H]1CC[NH2+]C[C@H]1O2 36459305 572211259 /nfs/dbraw/zinc/21/12/59/572211259.db2.gz XDCQPRXHNKNWSP-GHMZBOCLSA-N 0 0 191.230 1.188 10 0 ADAERN O=C1CN=C(c2ccc(Cl)cc2)O1 36459434 572211264 /nfs/dbraw/zinc/21/12/64/572211264.db2.gz QMUVAOXAHGUJGC-UHFFFAOYSA-N 0 0 195.605 1.643 10 0 ADAERN O=C(C[C@H]1CCCO1)c1cn[nH]c1 687795198 572211266 /nfs/dbraw/zinc/21/12/66/572211266.db2.gz IKCUSSXVRJJJIE-MRVPVSSYSA-N 0 0 180.207 1.162 10 0 ADAERN CC(C)(O)C(=O)Cc1cccc(O)c1 687795230 572210987 /nfs/dbraw/zinc/21/09/87/572210987.db2.gz WFIRXFOXWZWJSD-UHFFFAOYSA-N 0 0 194.230 1.275 10 0 ADAERN CC(C)[C@H](C)O[C@@H](C)C(N)=S 687712784 572211013 /nfs/dbraw/zinc/21/10/13/572211013.db2.gz WVXBUQOJVKUCKI-BQBZGAKWSA-N 0 0 175.297 1.722 10 0 ADAERN C[C@H](Cc1ccco1)[N@H+](C)CC(=O)[O-] 83403536 572211039 /nfs/dbraw/zinc/21/10/39/572211039.db2.gz WLEFLMKYIZZMOW-MRVPVSSYSA-N 0 0 197.234 1.227 10 0 ADAERN CCOCCC(=O)C1(C)CC1 687795245 572211044 /nfs/dbraw/zinc/21/10/44/572211044.db2.gz ADMFWYBCFDGGGJ-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN CC1=C(CO)C(C)(C)[C@@H](O)CC1 36448107 572211063 /nfs/dbraw/zinc/21/10/63/572211063.db2.gz OPNAUGLHLAFIMK-VIFPVBQESA-N 0 0 170.252 1.476 10 0 ADAERN CCc1ccc(C)c(NC(C)=O)n1 36459018 572211073 /nfs/dbraw/zinc/21/10/73/572211073.db2.gz NUTHNIYCNQALKG-UHFFFAOYSA-N 0 0 178.235 1.911 10 0 ADAERN Cc1ccc(-c2nnc(N)s2)o1 20252682 572211082 /nfs/dbraw/zinc/21/10/82/572211082.db2.gz GHLOKDUIVAXNMF-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCCNC(=O)Nc1ccccc1N 20256253 572211270 /nfs/dbraw/zinc/21/12/70/572211270.db2.gz LVSIVSHDZVCDHJ-UHFFFAOYSA-N 0 0 193.250 1.800 10 0 ADAERN COC[C@@H](C)C(=O)[C@@H](OC)C1CC1 687795220 572211271 /nfs/dbraw/zinc/21/12/71/572211271.db2.gz OOOZWJLOMOGRHA-XCBNKYQSSA-N 0 0 186.251 1.263 10 0 ADAERN COc1c(C)ccc(N(C)C)c1N 36459067 572211148 /nfs/dbraw/zinc/21/11/48/572211148.db2.gz NWQUSDNPMVTEPK-UHFFFAOYSA-N 0 0 180.251 1.652 10 0 ADAERN C[C@@]12CCCCC(=O)[C@H]1O2 36455634 572211279 /nfs/dbraw/zinc/21/12/79/572211279.db2.gz ZRGFYIZBOFMVNN-HTQZYQBOSA-N 0 0 140.182 1.287 10 0 ADAERN CC[C@H]1C[C@@H]1CCO 36458498 572211281 /nfs/dbraw/zinc/21/12/81/572211281.db2.gz IPKMDCPNAOYUEB-BQBZGAKWSA-N 0 0 114.188 1.415 10 0 ADAERN CC[C@H](O)c1cccccc1=O 140405051 572211104 /nfs/dbraw/zinc/21/11/04/572211104.db2.gz JAQBPNKAFCMISF-VIFPVBQESA-N 0 0 164.204 1.490 10 0 ADAERN CCCN(C)c1ccnn1C 687712736 572211108 /nfs/dbraw/zinc/21/11/08/572211108.db2.gz PAFOOQMUSMODJF-UHFFFAOYSA-N 0 0 153.229 1.266 10 0 ADAERN C=C=C(C)[C@@H](O)[C@@H]1COC(C)(C)O1 36448317 572211192 /nfs/dbraw/zinc/21/11/92/572211192.db2.gz PKRMKABFGHBUMN-DTWKUNHWSA-N 0 0 184.235 1.230 10 0 ADAERN CC(CCO)=C1C=CC=C1 36458551 572211202 /nfs/dbraw/zinc/21/12/02/572211202.db2.gz FPKMZOODFCXJKN-UHFFFAOYSA-N 0 0 136.194 1.811 10 0 ADAERN CC(=O)c1ccc2c(c1)CC[C@@H]2O 36448181 572211236 /nfs/dbraw/zinc/21/12/36/572211236.db2.gz BEGMSQNRCFKRON-NSHDSACASA-N 0 0 176.215 1.869 10 0 ADAERN CC1=C[C@@H](O)O[C@@H](c2cccnc2)C1 36456163 572211251 /nfs/dbraw/zinc/21/12/51/572211251.db2.gz OORGOGWQYVJMBB-MNOVXSKESA-N 0 0 191.230 1.808 10 0 ADAERN C[C@H](O)C[C@@H](C)c1cccnc1 36466390 572213074 /nfs/dbraw/zinc/21/30/74/572213074.db2.gz JEKTYQHXKWYSGO-BDAKNGLRSA-N 0 0 165.236 1.956 10 0 ADAERN CO[C@H](C)CC(=O)CCOC(C)C 687795193 572211393 /nfs/dbraw/zinc/21/13/93/572211393.db2.gz FTBUDSNMLZHIAT-SECBINFHSA-N 0 0 188.267 1.796 10 0 ADAERN C[C@]12CCCCC(=O)[C@@H]1O2 36455633 572211501 /nfs/dbraw/zinc/21/15/01/572211501.db2.gz ZRGFYIZBOFMVNN-YUMQZZPRSA-N 0 0 140.182 1.287 10 0 ADAERN CC1=C[C@@H](O)O[C@H](c2cccnc2)C1 36456161 572211433 /nfs/dbraw/zinc/21/14/33/572211433.db2.gz OORGOGWQYVJMBB-QWRGUYRKSA-N 0 0 191.230 1.808 10 0 ADAERN O[C@@H]1C[C@H]2C=C[C@H]3C=C[C@@H]1[C@H]32 43762132 572211458 /nfs/dbraw/zinc/21/14/58/572211458.db2.gz YCNFZNZETPWUPW-SQXHDICFSA-N 0 0 148.205 1.355 10 0 ADAERN CC[C@@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C1CC1 83407352 572211474 /nfs/dbraw/zinc/21/14/74/572211474.db2.gz ZIXHCAQOHRYQHJ-NXEZZACHSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@@H](CO)Cc1cc(F)ccc1O 36456071 572211496 /nfs/dbraw/zinc/21/14/96/572211496.db2.gz ZZFCJLMRIFBJMJ-SSDOTTSWSA-N 0 0 184.210 1.702 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@@H]1CCC[C@@H]1C 83406572 572213209 /nfs/dbraw/zinc/21/32/09/572213209.db2.gz SAFRPKXZZCXBBF-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@H]([NH2+]C1CCC1)C(=O)[O-] 83404797 572211524 /nfs/dbraw/zinc/21/15/24/572211524.db2.gz LEYMUAYGZSWGAX-QMMMGPOBSA-N 0 0 171.240 1.382 10 0 ADAERN CCOC(=O)/C=C/[C@H](O)C(C)C 36458887 572211530 /nfs/dbraw/zinc/21/15/30/572211530.db2.gz GNIIXDIJVIGVLK-GJIOHYHPSA-N 0 0 172.224 1.123 10 0 ADAERN CC[C@@H](C(C)C)[N@H+](C)[C@@H](C)C(=O)[O-] 83406723 572211532 /nfs/dbraw/zinc/21/15/32/572211532.db2.gz WVKRMJFJMMTHOC-IUCAKERBSA-N 0 0 187.283 1.826 10 0 ADAERN CC(=O)O[C@@H]1C[C@H]2[C@@H](CC1=O)C2(C)C 43762691 572213393 /nfs/dbraw/zinc/21/33/93/572213393.db2.gz AHRDEZTWKDGLHQ-KHQFGBGNSA-N 0 0 196.246 1.553 10 0 ADAERN Cc1nc2ncccc2c(N)c1C 20217127 572211559 /nfs/dbraw/zinc/21/15/59/572211559.db2.gz QXLDLGGOWBDMIO-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN CC[C@@H](O)c1ccccc1C=O 36448018 572211850 /nfs/dbraw/zinc/21/18/50/572211850.db2.gz IQXUPUZRZDHOOQ-SNVBAGLBSA-N 0 0 164.204 1.943 10 0 ADAERN CCNc1cc(N)nc(=S)n1C 36459165 572211565 /nfs/dbraw/zinc/21/15/65/572211565.db2.gz JQZGQHCHPKZJJW-UHFFFAOYSA-N 0 0 184.268 1.164 10 0 ADAERN CC1(C)[C@@H]2CC[C@]13COC(=O)N[C@@H]3C2 36459424 572211582 /nfs/dbraw/zinc/21/15/82/572211582.db2.gz GSQUHLHMWCQVSS-SOCHQFKDSA-N 0 0 195.262 1.921 10 0 ADAERN CCOCCC(=O)[C@H](CC)OCC 687795253 572211598 /nfs/dbraw/zinc/21/15/98/572211598.db2.gz HOCCBJMYHGSZPS-JTQLQIEISA-N 0 0 188.267 1.797 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@H]1CC[C@H](C)C1 83405488 572211621 /nfs/dbraw/zinc/21/16/21/572211621.db2.gz UYWZUHBHVWZFAW-UWVGGRQHSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H](C1CC1)[N@H+](CC(=O)[O-])C(C)C 83405409 572211628 /nfs/dbraw/zinc/21/16/28/572211628.db2.gz FVIIKWZBQQTEQD-JTQLQIEISA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1C[C@@H]2[C@@H](CCC23OCCO3)[C@@H]1O 43762323 572213419 /nfs/dbraw/zinc/21/34/19/572213419.db2.gz BINGGDNIAGPACQ-SGIHWFKDSA-N 0 0 198.262 1.156 10 0 ADAERN COC[C@@H](C)C(=O)[C@H](OC)C1CC1 687795218 572211642 /nfs/dbraw/zinc/21/16/42/572211642.db2.gz OOOZWJLOMOGRHA-GMSGAONNSA-N 0 0 186.251 1.263 10 0 ADAERN CC1=CC2(CC1)C(=O)CCC2=O 36458785 572211653 /nfs/dbraw/zinc/21/16/53/572211653.db2.gz MGGSAWLVCQCZNM-UHFFFAOYSA-N 0 0 164.204 1.645 10 0 ADAERN CC[C@@H](CO)C(F)(F)F 36458584 572211655 /nfs/dbraw/zinc/21/16/55/572211655.db2.gz SJIQILWUJSBQQE-BYPYZUCNSA-N 0 0 142.120 1.567 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H](C)C1CCCC1 83406745 572213420 /nfs/dbraw/zinc/21/34/20/572213420.db2.gz UVJNRWNISOHIOC-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN O=N[C@]1(Cl)CCCC[C@@H]1O 196461669 572211688 /nfs/dbraw/zinc/21/16/88/572211688.db2.gz TVLNQVFNKFUBLR-NTSWFWBYSA-N 0 0 163.604 1.623 10 0 ADAERN Cc1[nH+]ccc2[nH]c(=NN)ccc12 36458922 572211693 /nfs/dbraw/zinc/21/16/93/572211693.db2.gz XFHKVHRRENXLHC-UHFFFAOYSA-N 0 0 174.207 1.224 10 0 ADAERN CCC(CC)[N@@H+](CC(=O)[O-])CC1CC1 83405056 572211720 /nfs/dbraw/zinc/21/17/20/572211720.db2.gz DOQGWVYBIFFHJD-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ccc(-n2ncc(C=O)n2)cc1 20246517 572211731 /nfs/dbraw/zinc/21/17/31/572211731.db2.gz OCJHWNUKPISZGL-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN CCOCCC(=O)c1cncn1C 687795255 572211733 /nfs/dbraw/zinc/21/17/33/572211733.db2.gz IMFLZUJYZKPHCO-UHFFFAOYSA-N 0 0 182.223 1.029 10 0 ADAERN CCOC(=O)C=C(CC)NC 36447968 572211737 /nfs/dbraw/zinc/21/17/37/572211737.db2.gz AOPOYEXISOJINW-SREVYHEPSA-N 0 0 157.213 1.063 10 0 ADAERN C[C@H](O)[C@H]1C[C@@H]1C 36458487 572211741 /nfs/dbraw/zinc/21/17/41/572211741.db2.gz WLNGEWJRGOHNAA-ZLUOBGJFSA-N 0 0 100.161 1.023 10 0 ADAERN CC(=O)[C@H](O)c1ccc(C)cc1 36458783 572211744 /nfs/dbraw/zinc/21/17/44/572211744.db2.gz GKCHYXZZVFBBNB-JTQLQIEISA-N 0 0 164.204 1.617 10 0 ADAERN Cc1cc(O)c2c(c1)C[C@H](C)OC2=O 196462091 572211763 /nfs/dbraw/zinc/21/17/63/572211763.db2.gz IDCUBQASGYPHIC-ZETCQYMHSA-N 0 0 192.214 1.802 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@@H]1CC[C@@H](C)C1 83405490 572211769 /nfs/dbraw/zinc/21/17/69/572211769.db2.gz UYWZUHBHVWZFAW-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@]1(Cl)C(=O)[C@H]2CC=C[C@H]21 36455787 572211786 /nfs/dbraw/zinc/21/17/86/572211786.db2.gz AISYUXKCBFWCFE-BBVRLYRLSA-N 0 0 156.612 1.759 10 0 ADAERN CCCC[C@H](O)CF 36458508 572211791 /nfs/dbraw/zinc/21/17/91/572211791.db2.gz WQTSDVJCKPGHHF-LURJTMIESA-N 0 0 120.167 1.507 10 0 ADAERN COc1c(O)ccc2c1[C@H](O)[C@H]2OC 36459437 572211802 /nfs/dbraw/zinc/21/18/02/572211802.db2.gz IYBJMYHEQZCTFF-IUCAKERBSA-N 0 0 196.202 1.135 10 0 ADAERN CC1=C(CO)C(C)(C)[C@H](O)CC1 36448106 572211814 /nfs/dbraw/zinc/21/18/14/572211814.db2.gz OPNAUGLHLAFIMK-SECBINFHSA-N 0 0 170.252 1.476 10 0 ADAERN CC(C)[C@@H](C)O[C@@H](C)C(N)=S 687712787 572211817 /nfs/dbraw/zinc/21/18/17/572211817.db2.gz WVXBUQOJVKUCKI-RQJHMYQMSA-N 0 0 175.297 1.722 10 0 ADAERN Nc1cc(CCO)c(N)cc1Cl 36468621 572213423 /nfs/dbraw/zinc/21/34/23/572213423.db2.gz IRPQBHDXFZCQCZ-UHFFFAOYSA-N 0 0 186.642 1.039 10 0 ADAERN CCCC[C@@H](O)CF 36458509 572211837 /nfs/dbraw/zinc/21/18/37/572211837.db2.gz WQTSDVJCKPGHHF-ZCFIWIBFSA-N 0 0 120.167 1.507 10 0 ADAERN CC[C@@H]1CC[C@@H]([N@H+](C)CC(=O)[O-])C1 83403720 572211838 /nfs/dbraw/zinc/21/18/38/572211838.db2.gz IYMKNCHGKFYUHM-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1CCC[C@@H]2C[C@@H](C(=O)[O-])[NH2+][C@H]12 36456641 572211842 /nfs/dbraw/zinc/21/18/42/572211842.db2.gz GOTOGXGOTHZKBF-LURQLKTLSA-N 0 0 183.251 1.238 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@H]1CC[C@@H](C)C1 83405486 572213424 /nfs/dbraw/zinc/21/34/24/572213424.db2.gz UYWZUHBHVWZFAW-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN CSC(=O)C(=O)C(C)(C)C 196460509 572211861 /nfs/dbraw/zinc/21/18/61/572211861.db2.gz ZXZIEZVDRABOKF-UHFFFAOYSA-N 0 0 160.238 1.491 10 0 ADAERN O[C@@H]1CCC=C[C@H]2C[C@H]12 196461646 572211864 /nfs/dbraw/zinc/21/18/64/572211864.db2.gz NWSDLEBQGQVEKA-BIIVOSGPSA-N 0 0 124.183 1.333 10 0 ADAERN CCSCC[C@@H](OC)C(C)=O 687712755 572211866 /nfs/dbraw/zinc/21/18/66/572211866.db2.gz MEMQADSTDCJPIJ-MRVPVSSYSA-N 0 0 176.281 1.734 10 0 ADAERN CCC[C@H]1SCC[C@H]1O 36458608 572211879 /nfs/dbraw/zinc/21/18/79/572211879.db2.gz LYGCBEUFROSAOA-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN Nc1c(Cl)ccc2c1OCCO2 140407223 572211902 /nfs/dbraw/zinc/21/19/02/572211902.db2.gz GHHFSINZUDUODS-UHFFFAOYSA-N 0 0 185.610 1.693 10 0 ADAERN O[C@H]1C2CCC(CC2)C12CC2 36458640 572211915 /nfs/dbraw/zinc/21/19/15/572211915.db2.gz NKRYADQHFHAWIA-HACHORDNSA-N 0 0 152.237 1.948 10 0 ADAERN O=C(CCCO)N1CC[C@H](C2CC2)C1 400020405 572211917 /nfs/dbraw/zinc/21/19/17/572211917.db2.gz BVOQOJZFQPYIKD-JTQLQIEISA-N 0 0 197.278 1.017 10 0 ADAERN CC[C@H](CO)C(F)(F)F 36458585 572211953 /nfs/dbraw/zinc/21/19/53/572211953.db2.gz SJIQILWUJSBQQE-SCSAIBSYSA-N 0 0 142.120 1.567 10 0 ADAERN CC[C@H](C1CC1)[N@H+](CC)CCC(=O)[O-] 83406396 572211955 /nfs/dbraw/zinc/21/19/55/572211955.db2.gz QKIBUSJRRAQOFG-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H]([NH2+][C@H](C(=O)[O-])C1CC1)C1CC1 83407337 572211963 /nfs/dbraw/zinc/21/19/63/572211963.db2.gz ZIXHCAQOHRYQHJ-UWVGGRQHSA-N 0 0 197.278 1.628 10 0 ADAERN CC[C@@H](C1CC1)[N@@H+]1CCC[C@@H]1C(=O)[O-] 83403748 572211976 /nfs/dbraw/zinc/21/19/76/572211976.db2.gz QDPLRJWRUGFZKO-VHSXEESVSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H]1CC[C@@H]([NH2+][C@H](C(=O)[O-])C2CC2)C1 83407710 572211983 /nfs/dbraw/zinc/21/19/83/572211983.db2.gz CTHKIRCYPBCSFG-QNSHHTMESA-N 0 0 197.278 1.628 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@@H]1CC[C@H](C)C1 83405493 572211988 /nfs/dbraw/zinc/21/19/88/572211988.db2.gz UYWZUHBHVWZFAW-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN CC(=O)[C@](C)(O)C1=CCC=C1 36458635 572211991 /nfs/dbraw/zinc/21/19/91/572211991.db2.gz HZKUJXDGDMJLEO-VIFPVBQESA-N 0 0 152.193 1.213 10 0 ADAERN CO[C@@H](C)CC(=O)CCOC(C)C 687795194 572211996 /nfs/dbraw/zinc/21/19/96/572211996.db2.gz FTBUDSNMLZHIAT-VIFPVBQESA-N 0 0 188.267 1.796 10 0 ADAERN CC[C@@H](C)C1=CNC(=O)CC1 196463700 572212003 /nfs/dbraw/zinc/21/20/03/572212003.db2.gz SDXKAIFQMZTOIE-SSDOTTSWSA-N 0 0 153.225 1.826 10 0 ADAERN CC1(C)C(=O)CC[C@]1(C)CO 36455781 572212005 /nfs/dbraw/zinc/21/20/05/572212005.db2.gz GEBKVYRIFODZPP-SECBINFHSA-N 0 0 156.225 1.374 10 0 ADAERN CC(C)CC[C@H](C)[N@H+](C)CC(=O)[O-] 83403562 572212026 /nfs/dbraw/zinc/21/20/26/572212026.db2.gz GTXSUKHUUAYESA-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN O=C1CCC[C@@H]2CCCC=C2N1 36455857 572212027 /nfs/dbraw/zinc/21/20/27/572212027.db2.gz DLWFCTVTNNOCSF-QMMMGPOBSA-N 0 0 165.236 1.971 10 0 ADAERN O=C(C[C@@H]1CCCO1)c1cn[nH]c1 687795199 572212029 /nfs/dbraw/zinc/21/20/29/572212029.db2.gz IKCUSSXVRJJJIE-QMMMGPOBSA-N 0 0 180.207 1.162 10 0 ADAERN CCC[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)[O-] 83403985 572212032 /nfs/dbraw/zinc/21/20/32/572212032.db2.gz WTBOEFPDDZKJPI-DTWKUNHWSA-N 0 0 185.267 1.724 10 0 ADAERN CC(C)[N@H+](CCC(=O)[O-])[C@H](C)C1CC1 83405685 572212046 /nfs/dbraw/zinc/21/20/46/572212046.db2.gz LKVDDRSBEMYHMW-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H](c1ccsc1)[N@H+](C)CC(=O)[O-] 83403576 572212053 /nfs/dbraw/zinc/21/20/53/572212053.db2.gz GDORZCRAGAHKKN-SSDOTTSWSA-N 0 0 199.275 1.826 10 0 ADAERN CC1(C)C(=O)CC[C@@]1(C)CO 36455780 572212060 /nfs/dbraw/zinc/21/20/60/572212060.db2.gz GEBKVYRIFODZPP-VIFPVBQESA-N 0 0 156.225 1.374 10 0 ADAERN CC[C@@H]1CC[C@H]([N@H+](C)[C@@H](C)C(=O)[O-])C1 83407046 572212061 /nfs/dbraw/zinc/21/20/61/572212061.db2.gz QISUUIDBNSIWHS-AEJSXWLSSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H](C)[N@H+](CC(=O)[O-])[C@@H](C)C1CC1 83406243 572212067 /nfs/dbraw/zinc/21/20/67/572212067.db2.gz PPRVFEFNCGWCOQ-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN CC1(C)Oc2ccccc2C[C@@H]1O 36456003 572212073 /nfs/dbraw/zinc/21/20/73/572212073.db2.gz HVEQAXBABGOAQI-JTQLQIEISA-N 0 0 178.231 1.761 10 0 ADAERN CC(C)[C@@H](C)O[C@H](C)[C@H](C)O 687712800 572212081 /nfs/dbraw/zinc/21/20/81/572212081.db2.gz FUZOUOGXJUSUCL-DJLDLDEBSA-N 0 0 160.257 1.817 10 0 ADAERN Oc1ccc(C2(O)CC2)cc1 196466662 572212083 /nfs/dbraw/zinc/21/20/83/572212083.db2.gz YDPADERXEZMJGK-UHFFFAOYSA-N 0 0 150.177 1.374 10 0 ADAERN CCCCOCCNc1cnnn1C 300979898 572212088 /nfs/dbraw/zinc/21/20/88/572212088.db2.gz RXTLNNACRIGINX-UHFFFAOYSA-N 0 0 198.270 1.044 10 0 ADAERN CCCC[C@H](CC)[N@H+](C)CC(=O)[O-] 83403702 572212095 /nfs/dbraw/zinc/21/20/95/572212095.db2.gz SHNWGQBINAQJMO-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN CCP(CO)c1ccccc1 36456042 572212098 /nfs/dbraw/zinc/21/20/98/572212098.db2.gz ZWVURKSFIBOZQQ-UHFFFAOYSA-N 0 0 168.176 1.764 10 0 ADAERN O=Cc1cnn(-c2cccc(F)c2)n1 20246511 572212108 /nfs/dbraw/zinc/21/21/08/572212108.db2.gz NHZROWYALNMXQL-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN CCCCCc1cc(=O)c1=O 36458637 572212110 /nfs/dbraw/zinc/21/21/10/572212110.db2.gz TXOZPCNORCJKCA-UHFFFAOYSA-N 0 0 152.193 1.015 10 0 ADAERN CCC[C@H](C)[N@@H+](CC(=O)[O-])CC1CC1 83405113 572212139 /nfs/dbraw/zinc/21/21/39/572212139.db2.gz LWABFWMZOWUHBI-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC1(C)C[C@]2(C)CC[C@H](O)[C@@H]2C1=O 43762182 572212149 /nfs/dbraw/zinc/21/21/49/572212149.db2.gz GARJDKVIPQIGFK-RNSXUZJQSA-N 0 0 182.263 1.763 10 0 ADAERN COc1cc(CC(C)=O)cc(O)c1C 36448475 572212161 /nfs/dbraw/zinc/21/21/61/572212161.db2.gz OAJURSPZMSOJKS-UHFFFAOYSA-N 0 0 194.230 1.841 10 0 ADAERN Cc1cccc(C)c1OC(=O)[C@H](C)O 36459372 572212165 /nfs/dbraw/zinc/21/21/65/572212165.db2.gz JBRWTLAQLHZVQQ-VIFPVBQESA-N 0 0 194.230 1.590 10 0 ADAERN Cc1cc(CN2CCC(=O)CC2)no1 20253754 572212169 /nfs/dbraw/zinc/21/21/69/572212169.db2.gz IQUBPITUUMENGF-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 ADAERN CC1(C)Oc2ccccc2C[C@H]1O 36456002 572212198 /nfs/dbraw/zinc/21/21/98/572212198.db2.gz HVEQAXBABGOAQI-SNVBAGLBSA-N 0 0 178.231 1.761 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])CC(C)(C)C 83405566 572212201 /nfs/dbraw/zinc/21/22/01/572212201.db2.gz FDHZBPRKWZWWFP-UHFFFAOYSA-N 0 0 187.283 1.828 10 0 ADAERN CC1=C[C@H](O)O[C@H](c2cccnc2)C1 36456160 572212203 /nfs/dbraw/zinc/21/22/03/572212203.db2.gz OORGOGWQYVJMBB-WDEREUQCSA-N 0 0 191.230 1.808 10 0 ADAERN O=C1CCC[C@H]2CCCC=C2N1 36455858 572212210 /nfs/dbraw/zinc/21/22/10/572212210.db2.gz DLWFCTVTNNOCSF-MRVPVSSYSA-N 0 0 165.236 1.971 10 0 ADAERN CC[C@H](C)[C@@H](C)[N@H+](C)[C@@H](C)C(=O)[O-] 83406635 572212212 /nfs/dbraw/zinc/21/22/12/572212212.db2.gz DZBJHBZMBBQMPY-YIZRAAEISA-N 0 0 187.283 1.826 10 0 ADAERN CCCc1cc(N)c(=O)[nH]c1C 36458805 572212225 /nfs/dbraw/zinc/21/22/25/572212225.db2.gz LONUDORIPHGNIE-UHFFFAOYSA-N 0 0 166.224 1.218 10 0 ADAERN COC(=O)c1c2c(cn1C)CCCC2 196471613 572212229 /nfs/dbraw/zinc/21/22/29/572212229.db2.gz RBQMCSONZJPYMC-UHFFFAOYSA-N 0 0 193.246 1.691 10 0 ADAERN Cc1nccc(-c2ccnc(C)n2)n1 36466722 572213904 /nfs/dbraw/zinc/21/39/04/572213904.db2.gz IXSXBTBCSIRXTN-UHFFFAOYSA-N 0 0 186.218 1.550 10 0 ADAERN CCC[C@@H](C)[NH2+][C@@H](C(=O)[O-])C1CC1 83408089 572212252 /nfs/dbraw/zinc/21/22/52/572212252.db2.gz OHGWSVPYIIMVLR-VXNVDRBHSA-N 0 0 185.267 1.628 10 0 ADAERN CNC(=S)c1ccccc1C 36455859 572212253 /nfs/dbraw/zinc/21/22/53/572212253.db2.gz XKXBNONOHGVRFL-UHFFFAOYSA-N 0 0 165.261 1.890 10 0 ADAERN CC1(C)[C@H]2C[C@@H]1CC(=O)[C@@H]2CO 36455882 572212263 /nfs/dbraw/zinc/21/22/63/572212263.db2.gz GKESWLXJTJGIDB-PRJMDXOYSA-N 0 0 168.236 1.230 10 0 ADAERN O=C1NCCCN1c1ccccn1 36448212 572212268 /nfs/dbraw/zinc/21/22/68/572212268.db2.gz SZTRBVXYQDFXGI-UHFFFAOYSA-N 0 0 177.207 1.001 10 0 ADAERN CC[C@H]1CC[C@@H]([N@H+](C)CC(=O)[O-])C1 83403722 572212269 /nfs/dbraw/zinc/21/22/69/572212269.db2.gz IYMKNCHGKFYUHM-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CCCC[C@@H](CC)[N@H+](C)CC(=O)[O-] 83403701 572212302 /nfs/dbraw/zinc/21/23/02/572212302.db2.gz SHNWGQBINAQJMO-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN CC(C)[C@H](O)C1=CCCC[C@H]1O 36458864 572212307 /nfs/dbraw/zinc/21/23/07/572212307.db2.gz VZWDBIXRRDDJPM-ZJUUUORDSA-N 0 0 170.252 1.475 10 0 ADAERN C[C@@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C1CC1 83407618 572212310 /nfs/dbraw/zinc/21/23/10/572212310.db2.gz RWVQYSJHBRAWKV-HZGVNTEJSA-N 0 0 183.251 1.238 10 0 ADAERN CCONCCOc1ccccc1 70267523 572213185 /nfs/dbraw/zinc/21/31/85/572213185.db2.gz XMHWLLDERCEWQQ-UHFFFAOYSA-N 0 0 181.235 1.607 10 0 ADAERN O[C@H]1CC[C@@H](c2ccc(F)cc2)O1 36466639 572213907 /nfs/dbraw/zinc/21/39/07/572213907.db2.gz LUMGBAWADMPKME-VHSXEESVSA-N 0 0 182.194 1.996 10 0 ADAERN C[C@@H](c1ccsc1)[N@H+](C)CC(=O)[O-] 83403574 572212359 /nfs/dbraw/zinc/21/23/59/572212359.db2.gz GDORZCRAGAHKKN-ZETCQYMHSA-N 0 0 199.275 1.826 10 0 ADAERN CC[C@H](c1ccco1)[N@H+](C)CC(=O)[O-] 83403579 572212400 /nfs/dbraw/zinc/21/24/00/572212400.db2.gz DLEROZSLQHXYPI-MRVPVSSYSA-N 0 0 197.234 1.747 10 0 ADAERN CC(C)[C@@H](C)O[C@@H](C)[C@H](C)O 687712802 572212412 /nfs/dbraw/zinc/21/24/12/572212412.db2.gz FUZOUOGXJUSUCL-YIZRAAEISA-N 0 0 160.257 1.817 10 0 ADAERN Cc1ccccc1-n1ncc(C=O)n1 20246504 572212419 /nfs/dbraw/zinc/21/24/19/572212419.db2.gz PBKZWWWSJHFVCA-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN C[C@H](C1CC1)[N@@H+](CC(=O)[O-])CC1CC1 83405041 572212422 /nfs/dbraw/zinc/21/24/22/572212422.db2.gz KDBSMPVJMIKYQV-MRVPVSSYSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)[C@H](C)[N@@H+](CC(=O)[O-])CC1CC1 83405007 572212432 /nfs/dbraw/zinc/21/24/32/572212432.db2.gz OIJJYPQLXXTMJU-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN CCc1nc2cccc(N)c2o1 20222788 572212436 /nfs/dbraw/zinc/21/24/36/572212436.db2.gz CPMMZRUQXBOQMO-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN CC(C)[C@H](C)[N@H+](CC(=O)[O-])C(C)C 83405390 572212445 /nfs/dbraw/zinc/21/24/45/572212445.db2.gz LFBMYOMQKZEKIE-VIFPVBQESA-N 0 0 187.283 1.826 10 0 ADAERN Cc1ccc(-c2nnc(N)o2)o1 20252028 572212454 /nfs/dbraw/zinc/21/24/54/572212454.db2.gz QUEUBDDBELLMPH-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN Cc1cc(CN2CCC(=O)CC2)on1 20253767 572212456 /nfs/dbraw/zinc/21/24/56/572212456.db2.gz UKWVHOAEBZOTDH-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 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/nfs/dbraw/zinc/21/24/94/572212494.db2.gz ZPJWTBJRSSWCGP-VIFPVBQESA-N 0 0 187.283 1.970 10 0 ADAERN CCC[C@H](C)[N@H+](CC)CCC(=O)[O-] 83406554 572212499 /nfs/dbraw/zinc/21/24/99/572212499.db2.gz NKOUUUXTQIGBDT-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN CCOC(=O)N[C@@H]1CCCCO1 196465747 572212503 /nfs/dbraw/zinc/21/25/03/572212503.db2.gz FDLQZTHIVVWFFJ-ZETCQYMHSA-N 0 0 173.212 1.259 10 0 ADAERN C[C@@H]1C(=O)CC[C@@]2(C)C(=O)CC[C@@H]12 43762424 572212514 /nfs/dbraw/zinc/21/25/14/572212514.db2.gz ICUSOQHTIOMJQC-DKCNOQQISA-N 0 0 180.247 1.971 10 0 ADAERN CC[C@H](C)O[C@@H]1CC[C@@H](O)C1 687712846 572213916 /nfs/dbraw/zinc/21/39/16/572213916.db2.gz AIRFTEDSYITBKN-DJLDLDEBSA-N 0 0 158.241 1.715 10 0 ADAERN CC[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C(C)C 83407432 572212526 /nfs/dbraw/zinc/21/25/26/572212526.db2.gz DOHBYAXBOIDZOI-VHSXEESVSA-N 0 0 199.294 1.874 10 0 ADAERN CCC[C@H]([NH2+][C@H](C)C1CC1)C(=O)[O-] 83404694 572212531 /nfs/dbraw/zinc/21/25/31/572212531.db2.gz HSYVXKZIMNOAKS-APPZFPTMSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@@H]1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)[O-])C1 83407051 572212535 /nfs/dbraw/zinc/21/25/35/572212535.db2.gz QISUUIDBNSIWHS-IVZWLZJFSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H](c1ccco1)[N@H+](C)CC(=O)[O-] 83403577 572212545 /nfs/dbraw/zinc/21/25/45/572212545.db2.gz DLEROZSLQHXYPI-QMMMGPOBSA-N 0 0 197.234 1.747 10 0 ADAERN O[C@@H]1CC[C@@H](c2ccc(F)cc2)O1 36466641 572213917 /nfs/dbraw/zinc/21/39/17/572213917.db2.gz LUMGBAWADMPKME-UWVGGRQHSA-N 0 0 182.194 1.996 10 0 ADAERN CCONCc1cccc(OC)c1 70267540 572212549 /nfs/dbraw/zinc/21/25/49/572212549.db2.gz BVMHGINNSFTBKC-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN O=C([O-])CC[N@@H+](C1CCC1)C1CC1 83405283 572212570 /nfs/dbraw/zinc/21/25/70/572212570.db2.gz ZPQZZJLUGMHCFD-UHFFFAOYSA-N 0 0 183.251 1.478 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+](C)[C@@H](C)C1CCCC1 83406743 572212577 /nfs/dbraw/zinc/21/25/77/572212577.db2.gz UVJNRWNISOHIOC-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H]1C[C@@H]2[C@@H](CCC23OCCO3)[C@H]1O 43762324 572212606 /nfs/dbraw/zinc/21/26/06/572212606.db2.gz BINGGDNIAGPACQ-KYXWUPHJSA-N 0 0 198.262 1.156 10 0 ADAERN CCC[C@@H](O)C(F)(F)C(C)=O 196465667 572212608 /nfs/dbraw/zinc/21/26/08/572212608.db2.gz PFQYUIUGTKAMMV-ZCFIWIBFSA-N 0 0 166.167 1.372 10 0 ADAERN O[C@@H]1CCC[C@@H]2CCC[C@@H]21 43761527 572212613 /nfs/dbraw/zinc/21/26/13/572212613.db2.gz RMRXFRZQQUJSED-XHNCKOQMSA-N 0 0 140.226 1.948 10 0 ADAERN CC[C@H](C1CC1)[N@H+](C)[C@@H](C)C(=O)[O-] 83406684 572212625 /nfs/dbraw/zinc/21/26/25/572212625.db2.gz SDLYTCCTTSWTQK-IONNQARKSA-N 0 0 185.267 1.580 10 0 ADAERN CC(C)=CC[C@@H]1NC(=O)C[C@@H]1C 36466427 572212629 /nfs/dbraw/zinc/21/26/29/572212629.db2.gz WXGAOWJHMPYUSK-IUCAKERBSA-N 0 0 167.252 1.867 10 0 ADAERN COCc1cccc2c1N[C@H]2OC 36466613 572212632 /nfs/dbraw/zinc/21/26/32/572212632.db2.gz GDSJPVZWSGVXOU-JTQLQIEISA-N 0 0 179.219 1.904 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@H]1CCC[C@H]1C 83405630 572212639 /nfs/dbraw/zinc/21/26/39/572212639.db2.gz QZCCXPPHMSAXDU-ZJUUUORDSA-N 0 0 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PKRZZXPPFILWSB-JGVFFNPUSA-N 0 0 197.307 1.095 10 0 ADAERN C[C@]12CC[C@@H](O)C[C@@H]1CCC2=O 196462962 572212711 /nfs/dbraw/zinc/21/27/11/572212711.db2.gz NCXCIUUTBMLBMV-XKSSXDPKSA-N 0 0 168.236 1.517 10 0 ADAERN CC[C@@H]([NH2+][C@H](C(=O)[O-])C1CC1)C1CC1 83407342 572212735 /nfs/dbraw/zinc/21/27/35/572212735.db2.gz ZIXHCAQOHRYQHJ-ZJUUUORDSA-N 0 0 197.278 1.628 10 0 ADAERN O=C(CCCO)NC1CCCCCC1 41209910 572212743 /nfs/dbraw/zinc/21/27/43/572212743.db2.gz PLEOKAJNZPMSCW-UHFFFAOYSA-N 0 0 199.294 1.598 10 0 ADAERN CCCC[C@H]1CC[C@@H](O)O1 36466192 572212761 /nfs/dbraw/zinc/21/27/61/572212761.db2.gz LDEIGBGMYXTCGI-YUMQZZPRSA-N 0 0 144.214 1.674 10 0 ADAERN CCCC[C@@H]1CC[C@@H](O)O1 36466191 572212764 /nfs/dbraw/zinc/21/27/64/572212764.db2.gz LDEIGBGMYXTCGI-SFYZADRCSA-N 0 0 144.214 1.674 10 0 ADAERN CCC[C@@H]([NH2+]C1CCC1)C(=O)[O-] 83404798 572212772 /nfs/dbraw/zinc/21/27/72/572212772.db2.gz LEYMUAYGZSWGAX-MRVPVSSYSA-N 0 0 171.240 1.382 10 0 ADAERN CCC[C@@H](C)[N@@H+](CC(=O)[O-])CC1CC1 83405110 572212791 /nfs/dbraw/zinc/21/27/91/572212791.db2.gz LWABFWMZOWUHBI-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN C/C1=C/[C@H]2C(=O)N[C@@H]2/C=C\C=C/C1 43761658 572212796 /nfs/dbraw/zinc/21/27/96/572212796.db2.gz HFUTVQMAIXIQOP-AANUAWOXSA-N 0 0 175.231 1.563 10 0 ADAERN C[C@H]1C(=O)CC[C@@H](C)C1=O 36466156 572212825 /nfs/dbraw/zinc/21/28/25/572212825.db2.gz VTJKYDIKNUBBNW-RITPCOANSA-N 0 0 140.182 1.191 10 0 ADAERN CC[C@H](C1CC1)[N@H+](CC(=O)[O-])C(C)C 83405411 572212826 /nfs/dbraw/zinc/21/28/26/572212826.db2.gz FVIIKWZBQQTEQD-SNVBAGLBSA-N 0 0 199.294 1.970 10 0 ADAERN CCC[C@H](C)[NH2+][C@H](C(=O)[O-])C1CC1 83408088 572212832 /nfs/dbraw/zinc/21/28/32/572212832.db2.gz OHGWSVPYIIMVLR-CBAPKCEASA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@H](C1CC1)[N@@H+](CC(=O)[O-])CC1CC1 83405039 572212838 /nfs/dbraw/zinc/21/28/38/572212838.db2.gz KDBSMPVJMIKYQV-QMMMGPOBSA-N 0 0 197.278 1.582 10 0 ADAERN CC1(C)C[C@]2(C)CC[C@@H](O)[C@@H]2C1=O 43762183 572212845 /nfs/dbraw/zinc/21/28/45/572212845.db2.gz GARJDKVIPQIGFK-XLDPMVHQSA-N 0 0 182.263 1.763 10 0 ADAERN CCC[C@@H](C)[N@H+](CC(=O)[O-])C(C)C 83405605 572212848 /nfs/dbraw/zinc/21/28/48/572212848.db2.gz ZPJWTBJRSSWCGP-SECBINFHSA-N 0 0 187.283 1.970 10 0 ADAERN COCc1cccc2c1N[C@@H]2OC 36466612 572212878 /nfs/dbraw/zinc/21/28/78/572212878.db2.gz GDSJPVZWSGVXOU-SNVBAGLBSA-N 0 0 179.219 1.904 10 0 ADAERN CCC[C@@H](C)[NH2+][C@H](C(=O)[O-])C1CC1 83408087 572212879 /nfs/dbraw/zinc/21/28/79/572212879.db2.gz OHGWSVPYIIMVLR-APPZFPTMSA-N 0 0 185.267 1.628 10 0 ADAERN O=C1CCC[C@@H]1C(=O)N1CCCCC1 196461055 572212898 /nfs/dbraw/zinc/21/28/98/572212898.db2.gz GAEQJQOHJNZCIJ-VIFPVBQESA-N 0 0 195.262 1.368 10 0 ADAERN C[C@@H]1C[C@@H]2[C@@H](CCC23OCCO3)C1=O 43762330 572212901 /nfs/dbraw/zinc/21/29/01/572212901.db2.gz GPLQSLHBTPFQHO-IWSPIJDZSA-N 0 0 196.246 1.365 10 0 ADAERN CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)[O-] 83403731 572212905 /nfs/dbraw/zinc/21/29/05/572212905.db2.gz ZDEKTGSMJIJBTJ-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN O=C1CCCC=C[C@@H]2C[C@H]12 43761594 572212927 /nfs/dbraw/zinc/21/29/27/572212927.db2.gz MWTBWEQXRSGLHY-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN CCONC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 70267290 572212928 /nfs/dbraw/zinc/21/29/28/572212928.db2.gz LNYYDUQUVNUYMZ-YIZRAAEISA-N 0 0 183.251 1.490 10 0 ADAERN O=C1CCC[C@@H]2CCCO[C@@H]12 196471481 572212936 /nfs/dbraw/zinc/21/29/36/572212936.db2.gz RXWSTILBDIODBJ-VXNVDRBHSA-N 0 0 154.209 1.535 10 0 ADAERN Cc1nc2sc([C@@H](C)N)nn2c1C 20221922 572212940 /nfs/dbraw/zinc/21/29/40/572212940.db2.gz GRHAKXFQTAPCKE-SCSAIBSYSA-N 0 0 196.279 1.427 10 0 ADAERN CC(C)[N@H+](CCC(=O)[O-])[C@@H](C)C1CC1 83405683 572212946 /nfs/dbraw/zinc/21/29/46/572212946.db2.gz LKVDDRSBEMYHMW-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN CCc1cc(O)cc(C(=O)OC)c1 113099067 572212951 /nfs/dbraw/zinc/21/29/51/572212951.db2.gz SLIPCWUGFVJMEZ-UHFFFAOYSA-N 0 0 180.203 1.741 10 0 ADAERN Oc1ccccc1C1(O)CC1 196466650 572212952 /nfs/dbraw/zinc/21/29/52/572212952.db2.gz CWAWONXTLJKHHC-UHFFFAOYSA-N 0 0 150.177 1.374 10 0 ADAERN CCONCc1ccc(OC)cc1 70267926 572212954 /nfs/dbraw/zinc/21/29/54/572212954.db2.gz UCUAOJGWURYBCX-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN O[C@H]1CC[C@H](c2ccc(F)cc2)O1 36466640 572212957 /nfs/dbraw/zinc/21/29/57/572212957.db2.gz LUMGBAWADMPKME-NXEZZACHSA-N 0 0 182.194 1.996 10 0 ADAERN CCC(CC)[N@H+](CC(=O)[O-])C(C)C 83405494 572212958 /nfs/dbraw/zinc/21/29/58/572212958.db2.gz SRVPABSPWCDFLH-UHFFFAOYSA-N 0 0 187.283 1.970 10 0 ADAERN CCC[C@H]([NH2+][C@@H](C)C1CC1)C(=O)[O-] 83404692 572212968 /nfs/dbraw/zinc/21/29/68/572212968.db2.gz HSYVXKZIMNOAKS-CBAPKCEASA-N 0 0 185.267 1.628 10 0 ADAERN CCSCC[C@H](OC)C(C)=O 687712756 572212972 /nfs/dbraw/zinc/21/29/72/572212972.db2.gz MEMQADSTDCJPIJ-QMMMGPOBSA-N 0 0 176.281 1.734 10 0 ADAERN CN1Cc2ccc3c(c2C1=O)OCO3 36476520 572212974 /nfs/dbraw/zinc/21/29/74/572212974.db2.gz ISUGPLCZGVBTEI-UHFFFAOYSA-N 0 0 191.186 1.001 10 0 ADAERN CC[C@@H](CO)N(C)C(=O)C1(CC)CC1 393359427 572212977 /nfs/dbraw/zinc/21/29/77/572212977.db2.gz ZQYZEKPVQXWVKF-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN C[C@@H]1C(=O)N[C@]2(C)C(Cl)=C[C@@H]12 43761479 572212979 /nfs/dbraw/zinc/21/29/79/572212979.db2.gz BHGQEWXOETYWBS-YQJDLUKNSA-N 0 0 171.627 1.264 10 0 ADAERN O=C1CCC[C@@]23OCC[C@@H]2C[C@@H]13 36466405 572212985 /nfs/dbraw/zinc/21/29/85/572212985.db2.gz HIDDPGVSIZLTMV-KHQFGBGNSA-N 0 0 166.220 1.535 10 0 ADAERN CC[C@H](C(C)C)[N@H+](C)[C@@H](C)C(=O)[O-] 83406724 572212990 /nfs/dbraw/zinc/21/29/90/572212990.db2.gz WVKRMJFJMMTHOC-DTWKUNHWSA-N 0 0 187.283 1.826 10 0 ADAERN CC[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C(=O)[O-] 83406641 572212997 /nfs/dbraw/zinc/21/29/97/572212997.db2.gz DZBJHBZMBBQMPY-CIUDSAMLSA-N 0 0 187.283 1.826 10 0 ADAERN O=C1CCC[C@H]1C(=O)N1CCCCC1 196461044 572213006 /nfs/dbraw/zinc/21/30/06/572213006.db2.gz GAEQJQOHJNZCIJ-SECBINFHSA-N 0 0 195.262 1.368 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@@H]1CC[C@H](C)C1 83406466 572213011 /nfs/dbraw/zinc/21/30/11/572213011.db2.gz 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CC(C)[N@H+](CC(=O)[O-])[C@H]1CCC[C@@H]1C 83405631 572213239 /nfs/dbraw/zinc/21/32/39/572213239.db2.gz QZCCXPPHMSAXDU-UWVGGRQHSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[C@H](C)O[C@@H](C)[C@H](C)O 687712792 572213255 /nfs/dbraw/zinc/21/32/55/572213255.db2.gz FUZOUOGXJUSUCL-CIUDSAMLSA-N 0 0 160.257 1.817 10 0 ADAERN CCC[C@H](O)C(F)(F)C(C)=O 196465652 572213256 /nfs/dbraw/zinc/21/32/56/572213256.db2.gz PFQYUIUGTKAMMV-LURJTMIESA-N 0 0 166.167 1.372 10 0 ADAERN CCC(=O)Oc1ccccn1 36466243 572213257 /nfs/dbraw/zinc/21/32/57/572213257.db2.gz PTXOTCCZDWTQIR-UHFFFAOYSA-N 0 0 151.165 1.397 10 0 ADAERN O=C1CCC[C@H]2CCCO[C@@H]12 196471494 572213269 /nfs/dbraw/zinc/21/32/69/572213269.db2.gz RXWSTILBDIODBJ-IONNQARKSA-N 0 0 154.209 1.535 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@@H]1CCC[C@H]1C 83405633 572213316 /nfs/dbraw/zinc/21/33/16/572213316.db2.gz QZCCXPPHMSAXDU-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN Nc1n[nH]c(C[C@H]2C[C@H]2C2CC2)c1F 711965853 572213320 /nfs/dbraw/zinc/21/33/20/572213320.db2.gz 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CC[C@H](C(C)C)[N@@H+]1CCC[C@@H]1C(=O)[O-] 83403775 572213363 /nfs/dbraw/zinc/21/33/63/572213363.db2.gz GIHJZFCPJWWARC-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN CCOc1ccc2c(c1)CC[C@H](O)C2 36466850 572213364 /nfs/dbraw/zinc/21/33/64/572213364.db2.gz PMBBOFSNOBKSSE-NSHDSACASA-N 0 0 192.258 1.935 10 0 ADAERN CC[C@@H](C1CC1)[N@H+](C)[C@@H](C)C(=O)[O-] 83406682 572213375 /nfs/dbraw/zinc/21/33/75/572213375.db2.gz SDLYTCCTTSWTQK-CBAPKCEASA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)[O-] 83403727 572213379 /nfs/dbraw/zinc/21/33/79/572213379.db2.gz ZDEKTGSMJIJBTJ-IVZWLZJFSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C(C)C 83407434 572213385 /nfs/dbraw/zinc/21/33/85/572213385.db2.gz DOHBYAXBOIDZOI-NXEZZACHSA-N 0 0 199.294 1.874 10 0 ADAERN CONC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 70267337 572213386 /nfs/dbraw/zinc/21/33/86/572213386.db2.gz MCRVZHOGITUESG-RNJXMRFFSA-N 0 0 169.224 1.100 10 0 ADAERN CCC[C@@H]([NH2+]Cc1ccoc1)C(=O)[O-] 83404816 572213407 /nfs/dbraw/zinc/21/34/07/572213407.db2.gz NKAFTTAQFUFWLC-SECBINFHSA-N 0 0 197.234 1.623 10 0 ADAERN O=N[C@@]1(Cl)CCCC[C@@H]1O 196461659 572213412 /nfs/dbraw/zinc/21/34/12/572213412.db2.gz TVLNQVFNKFUBLR-WDSKDSINSA-N 0 0 163.604 1.623 10 0 ADAERN CCONC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 70267289 572213415 /nfs/dbraw/zinc/21/34/15/572213415.db2.gz LNYYDUQUVNUYMZ-DJLDLDEBSA-N 0 0 183.251 1.490 10 0 ADAERN O=C(NO)Nc1cccc(F)c1 36466467 572213443 /nfs/dbraw/zinc/21/34/43/572213443.db2.gz JXPZPTGELLZLLY-UHFFFAOYSA-N 0 0 170.143 1.336 10 0 ADAERN CONC[C@@H](O)c1ccc(F)cc1 70268003 572213465 /nfs/dbraw/zinc/21/34/65/572213465.db2.gz ZZDUDXMQHMFCEU-SECBINFHSA-N 0 0 185.198 1.010 10 0 ADAERN C[C@H]1CCC(=O)[C@H](C)C1=O 36466155 572213475 /nfs/dbraw/zinc/21/34/75/572213475.db2.gz VTJKYDIKNUBBNW-WDSKDSINSA-N 0 0 140.182 1.191 10 0 ADAERN C[Si](C)(C)c1cc(O)ccc1O 196464985 572213480 /nfs/dbraw/zinc/21/34/80/572213480.db2.gz DODGWJGXDIDBPI-UHFFFAOYSA-N 0 0 182.295 1.643 10 0 ADAERN CC(C)[C@@H]1CCCN(C#N)C1 150319499 572213494 /nfs/dbraw/zinc/21/34/94/572213494.db2.gz ISKFJVOJDDUYCO-SECBINFHSA-N 0 0 152.241 1.835 10 0 ADAERN Nc1cccc2c1[C@H]1CCCN1C2=O 36466767 572213960 /nfs/dbraw/zinc/21/39/60/572213960.db2.gz IXDFDXDYYBLCON-SECBINFHSA-N 0 0 188.230 1.560 10 0 ADAERN O=C1CCC[C@H]2CCCO[C@H]12 196471469 572213501 /nfs/dbraw/zinc/21/35/01/572213501.db2.gz RXWSTILBDIODBJ-CBAPKCEASA-N 0 0 154.209 1.535 10 0 ADAERN Cc1cc(O)c2c(c1)C[C@@H](C)OC2=O 196462077 572213515 /nfs/dbraw/zinc/21/35/15/572213515.db2.gz IDCUBQASGYPHIC-SSDOTTSWSA-N 0 0 192.214 1.802 10 0 ADAERN C=CC[C@H](C)[NH2+][C@@H](CCC)C(=O)[O-] 122264243 572213518 /nfs/dbraw/zinc/21/35/18/572213518.db2.gz LSKLQQMMKMNQJT-IUCAKERBSA-N 0 0 185.267 1.794 10 0 ADAERN CC[C@H](C)[N@H+](CC(=O)[O-])[C@@H](C)C1CC1 83406244 572213523 /nfs/dbraw/zinc/21/35/23/572213523.db2.gz PPRVFEFNCGWCOQ-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN O[C@@H]1CC[C@H](c2ccc(F)cc2)O1 36466642 572213964 /nfs/dbraw/zinc/21/39/64/572213964.db2.gz LUMGBAWADMPKME-ZJUUUORDSA-N 0 0 182.194 1.996 10 0 ADAERN O=N[C@]1(Cl)CCCC[C@H]1O 196461650 572213538 /nfs/dbraw/zinc/21/35/38/572213538.db2.gz TVLNQVFNKFUBLR-PHDIDXHHSA-N 0 0 163.604 1.623 10 0 ADAERN C[C@]12CC[C@H](O)C[C@@H]1CCC2=O 196462939 572213549 /nfs/dbraw/zinc/21/35/49/572213549.db2.gz NCXCIUUTBMLBMV-NRPADANISA-N 0 0 168.236 1.517 10 0 ADAERN C[Si]1(C)CCC(O)CC1 196470142 572213552 /nfs/dbraw/zinc/21/35/52/572213552.db2.gz JITLBQOCPCNQPV-UHFFFAOYSA-N 0 0 144.290 1.850 10 0 ADAERN CCONC(=O)Oc1ccccc1 70267227 572213553 /nfs/dbraw/zinc/21/35/53/572213553.db2.gz VTGXOXTWCNRXNH-UHFFFAOYSA-N 0 0 181.191 1.727 10 0 ADAERN O[C@H]1Cc2ccc(Cl)cc21 36473878 572213591 /nfs/dbraw/zinc/21/35/91/572213591.db2.gz ULDRPNNTOCNICS-QMMMGPOBSA-N 0 0 154.596 1.930 10 0 ADAERN CNC(=O)[C@@H](C)Nc1ccccc1F 20306616 572213593 /nfs/dbraw/zinc/21/35/93/572213593.db2.gz BWCMEXGBPFOEMW-SSDOTTSWSA-N 0 0 196.225 1.372 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@]2(C)CO2)[C@@H](O)C1 36466489 572213597 /nfs/dbraw/zinc/21/35/97/572213597.db2.gz JOEZVMKNCWMKKK-DOLQZWNJSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@@]12CC[C@H](O)C[C@@H]1CCC2=O 196462934 572213599 /nfs/dbraw/zinc/21/35/99/572213599.db2.gz NCXCIUUTBMLBMV-OYNCUSHFSA-N 0 0 168.236 1.517 10 0 ADAERN CC[C@H](C)[N@H+](CC(=O)[O-])C1CCC1 83406283 572213632 /nfs/dbraw/zinc/21/36/32/572213632.db2.gz MCEGQAAITQUNEB-QMMMGPOBSA-N 0 0 185.267 1.724 10 0 ADAERN CC(C)[C@@]12C=C[C@@H](CC(=O)C1)O2 36466403 572213690 /nfs/dbraw/zinc/21/36/90/572213690.db2.gz OJKVRXCXLCDDLV-VHSXEESVSA-N 0 0 166.220 1.699 10 0 ADAERN CC(=O)CCCC[C@H](C)O 36466193 572213974 /nfs/dbraw/zinc/21/39/74/572213974.db2.gz RPPGNWNXIDPXHR-ZETCQYMHSA-N 0 0 144.214 1.517 10 0 ADAERN CC(C)[C@@H](C)[N@@H+](CC(=O)[O-])CC1CC1 83405005 572213678 /nfs/dbraw/zinc/21/36/78/572213678.db2.gz OIJJYPQLXXTMJU-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)C1CC1 83407347 572213727 /nfs/dbraw/zinc/21/37/27/572213727.db2.gz ZIXHCAQOHRYQHJ-VHSXEESVSA-N 0 0 197.278 1.628 10 0 ADAERN CCONCc1ccccc1OC 70267573 572213771 /nfs/dbraw/zinc/21/37/71/572213771.db2.gz DCIRYRHQMXWETD-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN O[C@H]1Cc2ccc(F)cc21 36466131 572213785 /nfs/dbraw/zinc/21/37/85/572213785.db2.gz WRFZOQYVWFCNOU-QMMMGPOBSA-N 0 0 138.141 1.415 10 0 ADAERN O=C(Cc1ccccc1)[C@H]1CO1 36466345 572213979 /nfs/dbraw/zinc/21/39/79/572213979.db2.gz MQYXYLIYQQWKCJ-SNVBAGLBSA-N 0 0 162.188 1.197 10 0 ADAERN C=CC[C@@H](C)[NH2+][C@H](CCC)C(=O)[O-] 122264942 572213797 /nfs/dbraw/zinc/21/37/97/572213797.db2.gz LSKLQQMMKMNQJT-RKDXNWHRSA-N 0 0 185.267 1.794 10 0 ADAERN CCC[N@@H+]1CCCSC1 687795352 572213890 /nfs/dbraw/zinc/21/38/90/572213890.db2.gz OQUVPRICFGMWMO-UHFFFAOYSA-N 0 0 145.271 1.793 10 0 ADAERN CCONC[C@H](O)c1ccc(F)cc1 70267996 572213831 /nfs/dbraw/zinc/21/38/31/572213831.db2.gz XPJBXDFEPZDIEG-JTQLQIEISA-N 0 0 199.225 1.400 10 0 ADAERN O[C@@H]1Cc2ccc(Cl)cc21 36473877 572213879 /nfs/dbraw/zinc/21/38/79/572213879.db2.gz ULDRPNNTOCNICS-MRVPVSSYSA-N 0 0 154.596 1.930 10 0 ADAERN C=CC[C@@H](C)[NH2+][C@@H](CCC)C(=O)[O-] 122264678 572214030 /nfs/dbraw/zinc/21/40/30/572214030.db2.gz LSKLQQMMKMNQJT-BDAKNGLRSA-N 0 0 185.267 1.794 10 0 ADAERN O[C@@H]1CC[C@H]2[C@@H]1[C@H]1CC[C@@H]2C1 43763732 572214038 /nfs/dbraw/zinc/21/40/38/572214038.db2.gz QIBGUXADVFUERT-ZOZBQHSOSA-N 0 0 152.237 1.803 10 0 ADAERN CC[C@H](C)O[C@H]1CC[C@@H](O)C1 687712848 572214039 /nfs/dbraw/zinc/21/40/39/572214039.db2.gz AIRFTEDSYITBKN-YIZRAAEISA-N 0 0 158.241 1.715 10 0 ADAERN C[C@H](CC(N)=O)OCc1ccccc1 36473186 572214040 /nfs/dbraw/zinc/21/40/40/572214040.db2.gz DBDRITVINRHBEW-SECBINFHSA-N 0 0 193.246 1.467 10 0 ADAERN CCONCc1ncc(Cl)n1C 70267599 572214050 /nfs/dbraw/zinc/21/40/50/572214050.db2.gz LSRFZOULRXVLDN-UHFFFAOYSA-N 0 0 189.646 1.115 10 0 ADAERN CCONCCc1ccccn1 70267566 572214069 /nfs/dbraw/zinc/21/40/69/572214069.db2.gz ZMMCCYNJWOHRPT-UHFFFAOYSA-N 0 0 166.224 1.165 10 0 ADAERN CCONCCc1ccncc1 70267531 572214081 /nfs/dbraw/zinc/21/40/81/572214081.db2.gz NJJBWBMWUJCJNF-UHFFFAOYSA-N 0 0 166.224 1.165 10 0 ADAERN CC(C)=Cc1n[nH]c(=S)[nH]1 36470995 572214089 /nfs/dbraw/zinc/21/40/89/572214089.db2.gz WUHAJOVYFCEOTF-UHFFFAOYSA-N 0 0 155.226 1.890 10 0 ADAERN CC1(C)C=CC[C@](C)(CCO)O1 36466488 572214102 /nfs/dbraw/zinc/21/41/02/572214102.db2.gz BADFVABAIWHYTA-SNVBAGLBSA-N 0 0 170.252 1.883 10 0 ADAERN COCCCC(=O)[C@@H]1CCOC1 83439031 572214111 /nfs/dbraw/zinc/21/41/11/572214111.db2.gz SHWZFCUTTMUZGN-MRVPVSSYSA-N 0 0 172.224 1.019 10 0 ADAERN CONC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 70267336 572214139 /nfs/dbraw/zinc/21/41/39/572214139.db2.gz MCRVZHOGITUESG-XLPZGREQSA-N 0 0 169.224 1.100 10 0 ADAERN C[C@]1(c2ccnc(Cl)c2)CO1 36471054 572214160 /nfs/dbraw/zinc/21/41/60/572214160.db2.gz DLQJKCGMZRKMOP-MRVPVSSYSA-N 0 0 169.611 1.980 10 0 ADAERN CCN[C@H](CCOC)C(F)F 687712816 572214174 /nfs/dbraw/zinc/21/41/74/572214174.db2.gz RSLYPOYJLUPAIN-ZCFIWIBFSA-N 0 0 167.199 1.266 10 0 ADAERN CCn1cc([C@H](O)CCCOC)cn1 83439253 572214196 /nfs/dbraw/zinc/21/41/96/572214196.db2.gz IKOCZWYRAFXYHX-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN CCONC[C@@H](O)c1ccc(F)cc1 70267997 572214214 /nfs/dbraw/zinc/21/42/14/572214214.db2.gz XPJBXDFEPZDIEG-SNVBAGLBSA-N 0 0 199.225 1.400 10 0 ADAERN CCn1nccc1[C@H](O)CCCOC 83439245 572214225 /nfs/dbraw/zinc/21/42/25/572214225.db2.gz BNAODOHPPGNJOA-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN CCONCCc1ccccc1 70267600 572214237 /nfs/dbraw/zinc/21/42/37/572214237.db2.gz NYXLQAXLSIUFCO-UHFFFAOYSA-N 0 0 165.236 1.770 10 0 ADAERN Cc1ncc(C=O)c(NCC(C)C)n1 20385296 572217654 /nfs/dbraw/zinc/21/76/54/572217654.db2.gz MBGAJSFAEQLHQQ-UHFFFAOYSA-N 0 0 193.250 1.665 10 0 ADAERN CC(C)C[C@@H](C)[N@H+](CC(=O)[O-])C1CC1 83406048 572214257 /nfs/dbraw/zinc/21/42/57/572214257.db2.gz SPGYSZYREMGYPY-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN OCc1csc(-n2cccc2)n1 140413955 572214260 /nfs/dbraw/zinc/21/42/60/572214260.db2.gz WEDGZKHJJBSWTH-UHFFFAOYSA-N 0 0 180.232 1.426 10 0 ADAERN O=C1CCCCCC[C@@]12CO2 196480277 572214267 /nfs/dbraw/zinc/21/42/67/572214267.db2.gz BSLILPJLPNICSF-SECBINFHSA-N 0 0 154.209 1.679 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@@H](CO)OC1 140409352 572214271 /nfs/dbraw/zinc/21/42/71/572214271.db2.gz PMKZVFCCZOLKNA-BDAKNGLRSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H]1CCC[C@@H]1[N@H+](CC(=O)[O-])C1CC1 83406189 572214273 /nfs/dbraw/zinc/21/42/73/572214273.db2.gz KSDGSSFBBSWGCJ-SCZZXKLOSA-N 0 0 197.278 1.724 10 0 ADAERN CCC1=C[C@H]2CCCCN2C1=O 36466386 572214280 /nfs/dbraw/zinc/21/42/80/572214280.db2.gz KNJUVKXXPGTLMT-SECBINFHSA-N 0 0 165.236 1.718 10 0 ADAERN CC[C@@H](O)[C@H](O)c1ccc(C)o1 36466478 572214288 /nfs/dbraw/zinc/21/42/88/572214288.db2.gz ZDOJQMXKCGODBQ-APPZFPTMSA-N 0 0 170.208 1.392 10 0 ADAERN CCC1=C[C@@H]2CCCCN2C1=O 36466385 572214325 /nfs/dbraw/zinc/21/43/25/572214325.db2.gz KNJUVKXXPGTLMT-VIFPVBQESA-N 0 0 165.236 1.718 10 0 ADAERN C[C@@H]1C(=O)CCC[C@H]1CCCO 196476116 572214339 /nfs/dbraw/zinc/21/43/39/572214339.db2.gz KWIDWJQBGFWDEY-IUCAKERBSA-N 0 0 170.252 1.764 10 0 ADAERN O=C1C[C@@H]2C[C@H](O)CC[C@@H]2C1 196472259 572214344 /nfs/dbraw/zinc/21/43/44/572214344.db2.gz CKCJYMFDDKMKJH-GJMOJQLCSA-N 0 0 154.209 1.127 10 0 ADAERN O=C1C[C@@H]2CC[C@H]3CCC(=O)[C@@]32C1 36466594 572214353 /nfs/dbraw/zinc/21/43/53/572214353.db2.gz DHIJLEXNFGIMCW-LAEOZQHASA-N 0 0 178.231 1.725 10 0 ADAERN CCC(=O)[C@H]1CC=C[C@H](OC)O1 196472765 572214359 /nfs/dbraw/zinc/21/43/59/572214359.db2.gz SKOZRAUIODPIFV-RKDXNWHRSA-N 0 0 170.208 1.283 10 0 ADAERN O[C@H]1CC(/C=C/c2ccccc2)=NO1 140408527 572214365 /nfs/dbraw/zinc/21/43/65/572214365.db2.gz ZWZMNJAJZCMKIA-XUIVZRPNSA-N 0 0 189.214 1.795 10 0 ADAERN CO[C@H]1CNc2ccccc2C=N1 196478266 572214366 /nfs/dbraw/zinc/21/43/66/572214366.db2.gz YRHQZAMPSCKBAZ-JTQLQIEISA-N 0 0 176.219 1.504 10 0 ADAERN CCONCc1ccccc1F 70267530 572214383 /nfs/dbraw/zinc/21/43/83/572214383.db2.gz FPNBODVNCRXKKP-UHFFFAOYSA-N 0 0 169.199 1.867 10 0 ADAERN CCn1nccc1[C@@H](O)CCCOC 83439247 572214389 /nfs/dbraw/zinc/21/43/89/572214389.db2.gz BNAODOHPPGNJOA-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN CCc1ccccc1N[C@@H](C)C(N)=O 20301494 572214402 /nfs/dbraw/zinc/21/44/02/572214402.db2.gz LZNSNNOGSGNQDJ-QMMMGPOBSA-N 0 0 192.262 1.535 10 0 ADAERN CC1=Nc2ccccc2CNC1=O 196478461 572214423 /nfs/dbraw/zinc/21/44/23/572214423.db2.gz QHRURTXXSLDZTP-UHFFFAOYSA-N 0 0 174.203 1.409 10 0 ADAERN CC12CCC(=O)C1=C(O)CC2 36466250 572214429 /nfs/dbraw/zinc/21/44/29/572214429.db2.gz AGCPGJYJTHAMON-UHFFFAOYSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1cn(C(C)(C)C)c(N)[nH+]1 687712852 572214437 /nfs/dbraw/zinc/21/44/37/572214437.db2.gz SWEXGWWRUKAIOX-UHFFFAOYSA-N 0 0 153.229 1.529 10 0 ADAERN Cc1nc2onc(C)c2c(C)c1C[NH3+] 20274808 572214440 /nfs/dbraw/zinc/21/44/40/572214440.db2.gz DTLDDNVYWICCRR-UHFFFAOYSA-N 0 0 191.234 1.607 10 0 ADAERN CONC[C@H](O)c1ccc(F)cc1 70268002 572214442 /nfs/dbraw/zinc/21/44/42/572214442.db2.gz ZZDUDXMQHMFCEU-VIFPVBQESA-N 0 0 185.198 1.010 10 0 ADAERN CCn1cc([C@@H](O)CCCOC)cn1 83439255 572214443 /nfs/dbraw/zinc/21/44/43/572214443.db2.gz IKOCZWYRAFXYHX-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN O=c1ccoc(-c2ccco2)c1 196475874 572214445 /nfs/dbraw/zinc/21/44/45/572214445.db2.gz HHUVFVQXHDCNHJ-UHFFFAOYSA-N 0 0 162.144 1.900 10 0 ADAERN C=CC[C@H](C)[NH2+][C@H](CCC)C(=O)[O-] 122264428 572214454 /nfs/dbraw/zinc/21/44/54/572214454.db2.gz LSKLQQMMKMNQJT-DTWKUNHWSA-N 0 0 185.267 1.794 10 0 ADAERN Cc1cccc2c1[C@H](CO)C[C@@H]2O 196476190 572214468 /nfs/dbraw/zinc/21/44/68/572214468.db2.gz WMULMQKYMWPAGZ-WPRPVWTQSA-N 0 0 178.231 1.508 10 0 ADAERN COCCCC(=O)c1ccnn1C 83439116 572214479 /nfs/dbraw/zinc/21/44/79/572214479.db2.gz UQWWROBGMNRYHO-UHFFFAOYSA-N 0 0 182.223 1.029 10 0 ADAERN OC[C@@]12CCCCC1=C[C@H](O)CC2 36466657 572214492 /nfs/dbraw/zinc/21/44/92/572214492.db2.gz MIKZPUHTTZJMER-MNOVXSKESA-N 0 0 182.263 1.620 10 0 ADAERN CNC(=O)[C@@H](C)Nc1ccc(F)cc1 20307490 572216137 /nfs/dbraw/zinc/21/61/37/572216137.db2.gz DCVPURLNONITNR-SSDOTTSWSA-N 0 0 196.225 1.372 10 0 ADAERN CCONC(=O)C(CC)CC 70268106 572214512 /nfs/dbraw/zinc/21/45/12/572214512.db2.gz FOXMUFZNYFIVCM-UHFFFAOYSA-N 0 0 159.229 1.490 10 0 ADAERN CN(Cc1cccc(F)c1)C(N)=S 20266570 572216139 /nfs/dbraw/zinc/21/61/39/572216139.db2.gz ZLJNWJBKRDYQKY-UHFFFAOYSA-N 0 0 198.266 1.501 10 0 ADAERN Cc1cccc([C@@H]2C[NH2+]CCN2C)c1 20268271 572216140 /nfs/dbraw/zinc/21/61/40/572216140.db2.gz HLKBKJGEGOZEPW-LBPRGKRZSA-N 0 0 190.290 1.571 10 0 ADAERN CCn1ccnc1[C@H](O)CCCOC 83439302 572214523 /nfs/dbraw/zinc/21/45/23/572214523.db2.gz PGBAPTSQHDLBPI-SECBINFHSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)=CCC/C(C)=C/C(O)O 113648805 572214524 /nfs/dbraw/zinc/21/45/24/572214524.db2.gz GUFDVXNIWHWGBS-VQHVLOKHSA-N 0 0 170.252 1.990 10 0 ADAERN O=[S@]1Cc2ccccc2CO1 36466444 572214527 /nfs/dbraw/zinc/21/45/27/572214527.db2.gz NIXVNZNYHSLXMV-NSHDSACASA-N 0 0 168.217 1.381 10 0 ADAERN COCCC[C@H](O)c1ccc(C)nc1 83439324 572214537 /nfs/dbraw/zinc/21/45/37/572214537.db2.gz GXOKRMROFRBDQD-NSHDSACASA-N 0 0 195.262 1.850 10 0 ADAERN Oc1ccc([C@H]2C[NH2+]CCO2)cc1 20269158 572214546 /nfs/dbraw/zinc/21/45/46/572214546.db2.gz LIFRDKJGBMVWQH-SNVBAGLBSA-N 0 0 179.219 1.053 10 0 ADAERN CC1=C[C@H]2C(=O)C[C@@H]2C1 196473679 572214561 /nfs/dbraw/zinc/21/45/61/572214561.db2.gz BKPALQKPBQXYFL-NKWVEPMBSA-N 0 0 122.167 1.542 10 0 ADAERN O=C1CCC[C@@]1(O)c1ccccn1 196478443 572214574 /nfs/dbraw/zinc/21/45/74/572214574.db2.gz KQBPICCXLFLHBS-SNVBAGLBSA-N 0 0 177.203 1.022 10 0 ADAERN CCONCC(=O)Nc1ccccc1 70267358 572214581 /nfs/dbraw/zinc/21/45/81/572214581.db2.gz BTSPTZQMZZDKPH-UHFFFAOYSA-N 0 0 194.234 1.166 10 0 ADAERN CCn1ccnc1[C@@H](O)CCCOC 83439306 572214584 /nfs/dbraw/zinc/21/45/84/572214584.db2.gz PGBAPTSQHDLBPI-VIFPVBQESA-N 0 0 198.266 1.363 10 0 ADAERN C[C@H]1C(=O)CCC[C@H]1CCCO 196476104 572214592 /nfs/dbraw/zinc/21/45/92/572214592.db2.gz KWIDWJQBGFWDEY-BDAKNGLRSA-N 0 0 170.252 1.764 10 0 ADAERN CNC(=O)[C@H](C)Nc1ccccc1F 20306618 572214601 /nfs/dbraw/zinc/21/46/01/572214601.db2.gz BWCMEXGBPFOEMW-ZETCQYMHSA-N 0 0 196.225 1.372 10 0 ADAERN COCCC[C@H](O)C1CCOCC1 83439231 572214602 /nfs/dbraw/zinc/21/46/02/572214602.db2.gz GIOGIZRHBGINAA-JTQLQIEISA-N 0 0 188.267 1.201 10 0 ADAERN O=C1CCC[C@]1(O)c1ccccn1 196478454 572214606 /nfs/dbraw/zinc/21/46/06/572214606.db2.gz KQBPICCXLFLHBS-JTQLQIEISA-N 0 0 177.203 1.022 10 0 ADAERN CCCC[C@H]1CC[C@H](O)O1 36466190 572214619 /nfs/dbraw/zinc/21/46/19/572214619.db2.gz LDEIGBGMYXTCGI-JGVFFNPUSA-N 0 0 144.214 1.674 10 0 ADAERN C[C@H]1CCC[C@@H]1[N@H+](CC(=O)[O-])C1CC1 83406191 572214622 /nfs/dbraw/zinc/21/46/22/572214622.db2.gz KSDGSSFBBSWGCJ-WPRPVWTQSA-N 0 0 197.278 1.724 10 0 ADAERN O=C(CCO)N/C=C/c1ccccc1 140433654 572216564 /nfs/dbraw/zinc/21/65/64/572216564.db2.gz DCSYGUKGYKRSET-SOFGYWHQSA-N 0 0 191.230 1.156 10 0 ADAERN COCO[C@@H]1C(=O)CC[C@H]2[C@@H]1C2(C)C 43763608 572214665 /nfs/dbraw/zinc/21/46/65/572214665.db2.gz ZUPKPQBJYMWJQY-UJNFCWOMSA-N 0 0 198.262 1.611 10 0 ADAERN CC(C)n1c(=O)oc2c(N)cccc21 20266713 572214670 /nfs/dbraw/zinc/21/46/70/572214670.db2.gz BDYZTPMRBTUFME-UHFFFAOYSA-N 0 0 192.218 1.758 10 0 ADAERN COCCCC(=O)c1cncc(F)c1 83439108 572214680 /nfs/dbraw/zinc/21/46/80/572214680.db2.gz DNMDCIYWTXYJCP-UHFFFAOYSA-N 0 0 197.209 1.830 10 0 ADAERN CCn1cc(C(=O)CCCOC)cn1 83439045 572214682 /nfs/dbraw/zinc/21/46/82/572214682.db2.gz MNJFZKARXDDTDZ-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN CC[C@H](N)c1nc(CCCOC)no1 83438868 572214689 /nfs/dbraw/zinc/21/46/89/572214689.db2.gz BQPGAGVXSUWHDC-ZETCQYMHSA-N 0 0 199.254 1.058 10 0 ADAERN CCC[C@H](C)O[C@H](C)C(N)=S 687712842 572214731 /nfs/dbraw/zinc/21/47/31/572214731.db2.gz PNIKSOYJXOAHIS-NKWVEPMBSA-N 0 0 175.297 1.866 10 0 ADAERN COCCCC(=O)c1ccc(C)nc1 83439115 572214732 /nfs/dbraw/zinc/21/47/32/572214732.db2.gz UVUPNLNXBAZGGY-UHFFFAOYSA-N 0 0 193.246 1.999 10 0 ADAERN Cc1cccc([C@H]2C[NH2+]CCN2C)c1 20268270 572214769 /nfs/dbraw/zinc/21/47/69/572214769.db2.gz HLKBKJGEGOZEPW-GFCCVEGCSA-N 0 0 190.290 1.571 10 0 ADAERN CC1=C[C@H]2C(=O)C[C@H]2C1 196473704 572214809 /nfs/dbraw/zinc/21/48/09/572214809.db2.gz BKPALQKPBQXYFL-RNFRBKRXSA-N 0 0 122.167 1.542 10 0 ADAERN CC(C)(C)C[N@H+](CC(=O)[O-])C1CC1 83406132 572214815 /nfs/dbraw/zinc/21/48/15/572214815.db2.gz DWHLDUSCTMZDJI-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN CCN[C@@H](CCOC)C(F)F 687712815 572214816 /nfs/dbraw/zinc/21/48/16/572214816.db2.gz RSLYPOYJLUPAIN-LURJTMIESA-N 0 0 167.199 1.266 10 0 ADAERN CCn1ccnc1C(=O)CCCOC 83439103 572214822 /nfs/dbraw/zinc/21/48/22/572214822.db2.gz FZECUNMPLXXZIX-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN COc1ccc2ncc(C)nc2c1N 196476748 572214827 /nfs/dbraw/zinc/21/48/27/572214827.db2.gz CGXFQGLQMYCGRD-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN COCCC[C@@H](O)c1cccnc1N 83439363 572214848 /nfs/dbraw/zinc/21/48/48/572214848.db2.gz DBEAEJVXBAMCJQ-SECBINFHSA-N 0 0 196.250 1.124 10 0 ADAERN CC1=C[C@@H]2C(=O)C[C@H]2C1 196473713 572214868 /nfs/dbraw/zinc/21/48/68/572214868.db2.gz BKPALQKPBQXYFL-RQJHMYQMSA-N 0 0 122.167 1.542 10 0 ADAERN CCC[NH+]1CCC(=CC(=O)[O-])CC1 20259904 572214873 /nfs/dbraw/zinc/21/48/73/572214873.db2.gz NSCUSWSCYSJESK-UHFFFAOYSA-N 0 0 183.251 1.503 10 0 ADAERN CC1=C[C@@H]2C(=O)C[C@@H]2C1 196473690 572214877 /nfs/dbraw/zinc/21/48/77/572214877.db2.gz BKPALQKPBQXYFL-BQBZGAKWSA-N 0 0 122.167 1.542 10 0 ADAERN CNC(=O)[C@H](C)Nc1ccc(F)cc1 20307491 572214885 /nfs/dbraw/zinc/21/48/85/572214885.db2.gz DCVPURLNONITNR-ZETCQYMHSA-N 0 0 196.225 1.372 10 0 ADAERN CCCC[NH2+]Cc1cccc(N)n1 393361303 572214892 /nfs/dbraw/zinc/21/48/92/572214892.db2.gz FNZXLCGTNBNZPK-UHFFFAOYSA-N 0 0 179.267 1.554 10 0 ADAERN C[C@@H]1CCC(=O)N(CCCCCO)C1 687795437 572214918 /nfs/dbraw/zinc/21/49/18/572214918.db2.gz AQOQUTMZZOBSFH-SNVBAGLBSA-N 0 0 199.294 1.408 10 0 ADAERN Oc1ccc([C@@H]2C[NH2+]CCO2)cc1 20269156 572214922 /nfs/dbraw/zinc/21/49/22/572214922.db2.gz LIFRDKJGBMVWQH-JTQLQIEISA-N 0 0 179.219 1.053 10 0 ADAERN C[C@H]1CC[C@H]([N@H+](CC(=O)[O-])C2CC2)C1 83406066 572214923 /nfs/dbraw/zinc/21/49/23/572214923.db2.gz TUUDKAQHOUDWLP-WPRPVWTQSA-N 0 0 197.278 1.724 10 0 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/nfs/dbraw/zinc/21/57/64/572215764.db2.gz VBFDNBACIXOMOR-UHFFFAOYSA-N 0 0 183.207 1.523 10 0 ADAERN Cc1cc(F)ccc1N[C@@H](C)C(N)=O 20301540 572215765 /nfs/dbraw/zinc/21/57/65/572215765.db2.gz VENDPMVGHHOPAG-ZETCQYMHSA-N 0 0 196.225 1.420 10 0 ADAERN O=C1CCCCCC[C@]12CO2 196480285 572215766 /nfs/dbraw/zinc/21/57/66/572215766.db2.gz BSLILPJLPNICSF-VIFPVBQESA-N 0 0 154.209 1.679 10 0 ADAERN C[C@H]1CC(C)(C)N1Cc1ncnn1C 687795524 572215781 /nfs/dbraw/zinc/21/57/81/572215781.db2.gz BGPNJOXOGGXEMX-QMMMGPOBSA-N 0 0 194.282 1.188 10 0 ADAERN C[C@@H](C1CCCC1)[N@H+](C)CCC(=O)[O-] 83410279 572218063 /nfs/dbraw/zinc/21/80/63/572218063.db2.gz VOQMKVZAXGWGEC-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN COCCCN1C(=O)CC12CCC2 687795772 572215826 /nfs/dbraw/zinc/21/58/26/572215826.db2.gz WQAYFBSERNSLGW-UHFFFAOYSA-N 0 0 183.251 1.178 10 0 ADAERN COCCCC(=O)c1cncnc1 83439037 572215828 /nfs/dbraw/zinc/21/58/28/572215828.db2.gz XANJCFKLWPTGDK-UHFFFAOYSA-N 0 0 180.207 1.086 10 0 ADAERN CCONCc1csc(CC)n1 70268297 572215830 /nfs/dbraw/zinc/21/58/30/572215830.db2.gz NVGCTQRVMVIELD-UHFFFAOYSA-N 0 0 186.280 1.747 10 0 ADAERN COCCCC(=O)c1cnn(C)c1 83439091 572215833 /nfs/dbraw/zinc/21/58/33/572215833.db2.gz JRKVOEAKEQPQJI-UHFFFAOYSA-N 0 0 182.223 1.029 10 0 ADAERN Cc1cccc2c1[C@H](CO)C[C@H]2O 196476221 572215839 /nfs/dbraw/zinc/21/58/39/572215839.db2.gz WMULMQKYMWPAGZ-WCBMZHEXSA-N 0 0 178.231 1.508 10 0 ADAERN O[C@@H]1CC[C@@H]2[C@@H]1[C@H]1CC[C@@H]2C1 43763733 572215843 /nfs/dbraw/zinc/21/58/43/572215843.db2.gz QIBGUXADVFUERT-KBDSZGMXSA-N 0 0 152.237 1.803 10 0 ADAERN COCCCc1nc(C=O)cs1 83438971 572215892 /nfs/dbraw/zinc/21/58/92/572215892.db2.gz PVOJZZWDNXDIGI-UHFFFAOYSA-N 0 0 185.248 1.535 10 0 ADAERN O=C1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 196472291 572215911 /nfs/dbraw/zinc/21/59/11/572215911.db2.gz CKCJYMFDDKMKJH-XLPZGREQSA-N 0 0 154.209 1.127 10 0 ADAERN COCCC[C@@H](O)C1CCOCC1 83439235 572215916 /nfs/dbraw/zinc/21/59/16/572215916.db2.gz GIOGIZRHBGINAA-SNVBAGLBSA-N 0 0 188.267 1.201 10 0 ADAERN O=C1c2ccccc2-n2nccc21 196476011 572215951 /nfs/dbraw/zinc/21/59/51/572215951.db2.gz PCVHSGVVEFLZCY-UHFFFAOYSA-N 0 0 170.171 1.417 10 0 ADAERN COCCCC(=O)c1nccn1C 83439017 572215983 /nfs/dbraw/zinc/21/59/83/572215983.db2.gz NUZDYAMURRDLCJ-UHFFFAOYSA-N 0 0 182.223 1.029 10 0 ADAERN C[C@H]1CCC[C@H]1[N@H+](CC(=O)[O-])C1CC1 83406195 572215996 /nfs/dbraw/zinc/21/59/96/572215996.db2.gz KSDGSSFBBSWGCJ-WCBMZHEXSA-N 0 0 197.278 1.724 10 0 ADAERN C/C(=C/C[NH2+][C@H](C)C1CC1)C(=O)[O-] 235196251 572218089 /nfs/dbraw/zinc/21/80/89/572218089.db2.gz WQOWNAUMENKKDF-GRKOMRHMSA-N 0 0 183.251 1.405 10 0 ADAERN CNC(=O)[C@H](C)Nc1ccc(C)cc1 20307622 572218092 /nfs/dbraw/zinc/21/80/92/572218092.db2.gz RJNHHFMDEUNYES-VIFPVBQESA-N 0 0 192.262 1.541 10 0 ADAERN C[C@@]12C=CC[C@H]1CC2=O 196473746 572216042 /nfs/dbraw/zinc/21/60/42/572216042.db2.gz ANOPYAKONKHTCK-POYBYMJQSA-N 0 0 122.167 1.542 10 0 ADAERN CO[C@@H]1C[C@H]2[C@@H](CC1=O)C2(C)C 43763628 572216057 /nfs/dbraw/zinc/21/60/57/572216057.db2.gz RXJSQBOELDMMKQ-BKPPORCPSA-N 0 0 168.236 1.637 10 0 ADAERN C[C@@H]1CCC[C@H]1[N@H+](CC(=O)[O-])C1CC1 83406192 572216069 /nfs/dbraw/zinc/21/60/69/572216069.db2.gz KSDGSSFBBSWGCJ-PSASIEDQSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H]1[C@H](CO)[C@@H]1[Si](C)(C)C 196209802 572216088 /nfs/dbraw/zinc/21/60/88/572216088.db2.gz YUYDWDTTXCZORU-GJMOJQLCSA-N 0 0 158.317 1.953 10 0 ADAERN C[C@@H]1CC[C@@H]2[C@@H]1C(=O)OC2(C)C 196213094 572216093 /nfs/dbraw/zinc/21/60/93/572216093.db2.gz LIISBTATGMRIML-BWZBUEFSSA-N 0 0 168.236 1.984 10 0 ADAERN C[C@H](Nc1ccccc1F)C(N)=O 20300991 572216095 /nfs/dbraw/zinc/21/60/95/572216095.db2.gz XZYGMYNSZQQBDC-LURJTMIESA-N 0 0 182.198 1.111 10 0 ADAERN Cc1ccc(F)cc1N[C@@H](C)C(N)=O 20301211 572216097 /nfs/dbraw/zinc/21/60/97/572216097.db2.gz GKSQRSABSBVKBB-ZETCQYMHSA-N 0 0 196.225 1.420 10 0 ADAERN CCC[C@H](C)O[C@@H](C)C(N)=S 687712841 572216106 /nfs/dbraw/zinc/21/61/06/572216106.db2.gz PNIKSOYJXOAHIS-BQBZGAKWSA-N 0 0 175.297 1.866 10 0 ADAERN C[C@@H]1CC=C(c2ccco2)NC1=O 196210770 572216107 /nfs/dbraw/zinc/21/61/07/572216107.db2.gz KNTHKYAATHCFDX-SSDOTTSWSA-N 0 0 177.203 1.777 10 0 ADAERN C[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1C)C(=O)[O-] 83415695 572218096 /nfs/dbraw/zinc/21/80/96/572218096.db2.gz PAJNZBJFJDFDIO-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN O[C@H]1CC[C@H]1c1ccco1 196208393 572216170 /nfs/dbraw/zinc/21/61/70/572216170.db2.gz OYPLNUILGPKJCG-RQJHMYQMSA-N 0 0 138.166 1.518 10 0 ADAERN CC1(C)C(=O)[C@@H]2CCC(=O)[C@@H]21 196212155 572216173 /nfs/dbraw/zinc/21/61/73/572216173.db2.gz WWLWKLYEEVUNPL-IYSWYEEDSA-N 0 0 152.193 1.191 10 0 ADAERN Cc1ccc([C@H]2C[NH2+]CCN2C)cc1 20268273 572216226 /nfs/dbraw/zinc/21/62/26/572216226.db2.gz HJDBFRKZDPXOPD-GFCCVEGCSA-N 0 0 190.290 1.571 10 0 ADAERN CCC(=O)[C@@](C)(O)c1ccccc1 140447897 572216233 /nfs/dbraw/zinc/21/62/33/572216233.db2.gz NSEWKCVFPQXYRO-NSHDSACASA-N 0 0 178.231 1.873 10 0 ADAERN CC(=O)[C@H](C)C1(Cl)CC1 196208535 572216238 /nfs/dbraw/zinc/21/62/38/572216238.db2.gz MVLBPHJFVPBHRB-YFKPBYRVSA-N 0 0 146.617 1.983 10 0 ADAERN CNC(=O)[C@@H](C)Nc1cccc(F)c1 20307671 572218109 /nfs/dbraw/zinc/21/81/09/572218109.db2.gz WMIAJQYHYDSKPQ-SSDOTTSWSA-N 0 0 196.225 1.372 10 0 ADAERN C[C@H]1CCC[C@H]1[N@@H+](C)C[C@@H](C)C(=O)[O-] 83415696 572218114 /nfs/dbraw/zinc/21/81/14/572218114.db2.gz PAJNZBJFJDFDIO-IVZWLZJFSA-N 0 0 199.294 1.828 10 0 ADAERN CC1(C)C(=O)[C@@H]2CCC(=O)[C@H]21 196212162 572216284 /nfs/dbraw/zinc/21/62/84/572216284.db2.gz WWLWKLYEEVUNPL-VDTYLAMSSA-N 0 0 152.193 1.191 10 0 ADAERN CCn1c(C)cc(Cl)c(N)c1=O 20272817 572216293 /nfs/dbraw/zinc/21/62/93/572216293.db2.gz LRMRSGXLBSFMDM-UHFFFAOYSA-N 0 0 186.642 1.412 10 0 ADAERN C[C@H]1CC[C@@H]([N@H+](C)CCC(=O)[O-])C1 83410353 572216296 /nfs/dbraw/zinc/21/62/96/572216296.db2.gz PIYHNUYIVDGMHW-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CCOC(=O)c1n[nH]c2c1CC=C2 140436721 572216306 /nfs/dbraw/zinc/21/63/06/572216306.db2.gz ARCQSBHQBYKAER-UHFFFAOYSA-N 0 0 178.191 1.156 10 0 ADAERN CC[N@H+](C[C@@H](C)C(=O)[O-])C1CCC1 83408585 572216313 /nfs/dbraw/zinc/21/63/13/572216313.db2.gz GPTVQDCCSXRPKS-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[C@H](C)[NH+]1CC(CC(=O)[O-])C1 83417047 572216327 /nfs/dbraw/zinc/21/63/27/572216327.db2.gz FOSUALFVIUQSCP-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CC1(C)C(=O)[C@H]2CCC(=O)[C@H]21 196212148 572216339 /nfs/dbraw/zinc/21/63/39/572216339.db2.gz WWLWKLYEEVUNPL-FSPLSTOPSA-N 0 0 152.193 1.191 10 0 ADAERN C[C@H]1COC(Nc2ccccc2)=N1 140441885 572216388 /nfs/dbraw/zinc/21/63/88/572216388.db2.gz BUIANEOBNFRDNM-QMMMGPOBSA-N 0 0 176.219 1.873 10 0 ADAERN COC(C)(C)[C@H]1CCCC[C@@H]1O 140433410 572216395 /nfs/dbraw/zinc/21/63/95/572216395.db2.gz AHGWJTDBHWJMCD-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@@H](C)CC(C)C 83410852 572216422 /nfs/dbraw/zinc/21/64/22/572216422.db2.gz HFQDVHXZQXBDJT-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN CC(C)C[C@H](C)[NH+]1CC(CC(=O)[O-])C1 83416739 572216430 /nfs/dbraw/zinc/21/64/30/572216430.db2.gz PHIPJXZCPYRKDP-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]([NH2+]CC[C@@H]1CCOC1)C(F)F 235195288 572216446 /nfs/dbraw/zinc/21/64/46/572216446.db2.gz PNDYEDVZVBQFON-HTQZYQBOSA-N 0 0 193.237 1.656 10 0 ADAERN O[C@@H]1CC[C@@H]1c1ccco1 196208412 572216453 /nfs/dbraw/zinc/21/64/53/572216453.db2.gz OYPLNUILGPKJCG-NKWVEPMBSA-N 0 0 138.166 1.518 10 0 ADAERN C[C@@H]1COC(Nc2ccccc2)=N1 140441724 572216469 /nfs/dbraw/zinc/21/64/69/572216469.db2.gz BUIANEOBNFRDNM-MRVPVSSYSA-N 0 0 176.219 1.873 10 0 ADAERN CCNc1nc(CCCOC)no1 83440780 572216479 /nfs/dbraw/zinc/21/64/79/572216479.db2.gz JLANTAYCLHZTTL-UHFFFAOYSA-N 0 0 185.227 1.080 10 0 ADAERN COC(=O)[C@H](C)OC(F)(F)F 687712854 572216489 /nfs/dbraw/zinc/21/64/89/572216489.db2.gz WNYKXGWPNHVJGC-VKHMYHEASA-N 0 0 172.102 1.084 10 0 ADAERN CC[C@@H](C(C)C)[N@@H+]1CC[C@H](C(=O)[O-])C1 83413496 572216490 /nfs/dbraw/zinc/21/64/90/572216490.db2.gz GOLPHRKIRGYIMW-UWVGGRQHSA-N 0 0 199.294 1.828 10 0 ADAERN COc1cccn2c(=O)cc(C)nc12 196212559 572216501 /nfs/dbraw/zinc/21/65/01/572216501.db2.gz ZWRDDDMAVXCRDK-UHFFFAOYSA-N 0 0 190.202 1.012 10 0 ADAERN C[C@H](C1CCCC1)[N@H+](C)CCC(=O)[O-] 83410283 572216509 /nfs/dbraw/zinc/21/65/09/572216509.db2.gz VOQMKVZAXGWGEC-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C)[C@@H](C)[NH+]1CC(C(=O)[O-])C1 83415784 572216519 /nfs/dbraw/zinc/21/65/19/572216519.db2.gz FIYAACDCDRJBMD-JGVFFNPUSA-N 0 0 185.267 1.437 10 0 ADAERN CC[C@H](C1CC1)[N@H+](C)CCCC(=O)[O-] 83414311 572216523 /nfs/dbraw/zinc/21/65/23/572216523.db2.gz XUNIDQRSYMNFFJ-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@H]1CCC[C@@H]1C 83411252 572218124 /nfs/dbraw/zinc/21/81/24/572218124.db2.gz CAHCEQHBIHIAHU-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN O=C1CC2(CC2)C(=O)CC12CC2 196200324 572218125 /nfs/dbraw/zinc/21/81/25/572218125.db2.gz LMKVRCXFLSORDM-UHFFFAOYSA-N 0 0 164.204 1.479 10 0 ADAERN CC[C@H](C(C)C)[NH+]1CC(C(=O)[O-])C1 83415946 572216544 /nfs/dbraw/zinc/21/65/44/572216544.db2.gz KODXXQBGDDOPMX-SECBINFHSA-N 0 0 185.267 1.437 10 0 ADAERN CC(C)C[C@@H](C)[NH+]1CC(CC(=O)[O-])C1 83416736 572216571 /nfs/dbraw/zinc/21/65/71/572216571.db2.gz PHIPJXZCPYRKDP-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN O=Cc1cc(-c2ccco2)n[nH]1 20270497 572216576 /nfs/dbraw/zinc/21/65/76/572216576.db2.gz FJCVCEAEPQJZCH-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN C[C@](O)(CO)C1CCCCC1 196207151 572216582 /nfs/dbraw/zinc/21/65/82/572216582.db2.gz WSIIMESZNUTCBS-VIFPVBQESA-N 0 0 158.241 1.310 10 0 ADAERN CC[C@@H](C(C)C)[N@H+](CC)CC(=O)[O-] 83410771 572216585 /nfs/dbraw/zinc/21/65/85/572216585.db2.gz HFZZWGMRVBKHLI-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN CC1(C)C(=O)[C@H]2CCC(=O)[C@@H]21 196212140 572216618 /nfs/dbraw/zinc/21/66/18/572216618.db2.gz WWLWKLYEEVUNPL-CAHLUQPWSA-N 0 0 152.193 1.191 10 0 ADAERN C[C@H](C1CC1)[NH+]1CC(CC(=O)[O-])C1 83416745 572216626 /nfs/dbraw/zinc/21/66/26/572216626.db2.gz XBOKRVPBDFEJLL-SSDOTTSWSA-N 0 0 183.251 1.191 10 0 ADAERN O[C@H]1CC[C@@H]1c1ccco1 196208399 572216640 /nfs/dbraw/zinc/21/66/40/572216640.db2.gz 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/nfs/dbraw/zinc/21/67/28/572216728.db2.gz OYPLNUILGPKJCG-RNFRBKRXSA-N 0 0 138.166 1.518 10 0 ADAERN CC(=O)[C@@H](C)C1(Cl)CC1 196208539 572216733 /nfs/dbraw/zinc/21/67/33/572216733.db2.gz MVLBPHJFVPBHRB-RXMQYKEDSA-N 0 0 146.617 1.983 10 0 ADAERN CN(C)C(=S)Nc1nccs1 196213630 572216763 /nfs/dbraw/zinc/21/67/63/572216763.db2.gz UFWSJPMSMLBRGR-UHFFFAOYSA-N 0 0 187.293 1.402 10 0 ADAERN CCC(CC)[NH+]1CC(C(=O)[O-])C1 83416151 572216782 /nfs/dbraw/zinc/21/67/82/572216782.db2.gz AVTULLAVMIGJFU-UHFFFAOYSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@@H](C(C)C)[NH+]1CC(C(=O)[O-])C1 83415942 572216786 /nfs/dbraw/zinc/21/67/86/572216786.db2.gz KODXXQBGDDOPMX-VIFPVBQESA-N 0 0 185.267 1.437 10 0 ADAERN C[C@@H](C[N@H+](C)C1CCC1)C(=O)[O-] 83415552 572216793 /nfs/dbraw/zinc/21/67/93/572216793.db2.gz SSGGOHVWMIGOTP-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CCC[C@@H]1[N@@H+](C)C[C@@H](C)C(=O)[O-] 83415692 572216823 /nfs/dbraw/zinc/21/68/23/572216823.db2.gz PAJNZBJFJDFDIO-AEJSXWLSSA-N 0 0 199.294 1.828 10 0 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/nfs/dbraw/zinc/21/94/62/572219462.db2.gz BKCWZABWMNFMCN-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1oc2ccc(N)cc2c(=O)c1C 20418127 572219724 /nfs/dbraw/zinc/21/97/24/572219724.db2.gz DJBQWZTYJXHMFI-UHFFFAOYSA-N 0 0 189.214 1.992 10 0 ADAERN CC[C@@H](C(C)C)[N@H+](C)CCC(=O)[O-] 83410248 572219494 /nfs/dbraw/zinc/21/94/94/572219494.db2.gz LCMPXFZZPWJTDC-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN CC(C)(C)C[NH+]1CC(CC(=O)[O-])C1 83416917 572219498 /nfs/dbraw/zinc/21/94/98/572219498.db2.gz RMCFHXJEYYGMEY-UHFFFAOYSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H]1CC[C@@H]([N@H+](C)CCCC(=O)[O-])C1 83414379 572219515 /nfs/dbraw/zinc/21/95/15/572219515.db2.gz DQKFHVRPMSPMTQ-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@H]1CC[C@H](C)C1 83410890 572219539 /nfs/dbraw/zinc/21/95/39/572219539.db2.gz UHNGWYWCYLEDBU-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@H]1CC[C@H](C2=NCC(=O)N2)C1 234101431 572219543 /nfs/dbraw/zinc/21/95/43/572219543.db2.gz FGTRBLVWOYTHCI-YUMQZZPRSA-N 0 0 180.251 1.341 10 0 ADAERN COCCCC[C@@](C)(O)CCOC 686328368 572219555 /nfs/dbraw/zinc/21/95/55/572219555.db2.gz WYGRTRJLTKOLBY-SNVBAGLBSA-N 0 0 190.283 1.591 10 0 ADAERN CC[C@H](C1CC1)[NH+]1CC(CC(=O)[O-])C1 83416651 572219556 /nfs/dbraw/zinc/21/95/56/572219556.db2.gz KHZKCHVDSGRLNI-SNVBAGLBSA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@H]1OCC[C@@H]1c1cnc(CN)o1 234104885 572219580 /nfs/dbraw/zinc/21/95/80/572219580.db2.gz YKYIKHZFWZEFDB-JGVFFNPUSA-N 0 0 196.250 1.416 10 0 ADAERN O=C([O-])[C@]12C[C@@H]([NH2+]C3CCC3)C[C@H]1C2 712953356 572219600 /nfs/dbraw/zinc/21/96/00/572219600.db2.gz AABWRGVLSYTYJI-OVYXKVPISA-N 0 0 195.262 1.382 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@H](C(=O)[O-])C1 83413606 572219627 /nfs/dbraw/zinc/21/96/27/572219627.db2.gz DALRCFOJGRSONM-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@@H](C1CC1)[N@H+](C)CCCC(=O)[O-] 83414309 572219652 /nfs/dbraw/zinc/21/96/52/572219652.db2.gz XUNIDQRSYMNFFJ-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](C)[C@H](C)[N@H+](CC)CC(=O)[O-] 83410655 572219662 /nfs/dbraw/zinc/21/96/62/572219662.db2.gz NEIWGLPRIJHXQW-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN Cc1cc(F)ccc1NC(=S)NN 20426772 572219674 /nfs/dbraw/zinc/21/96/74/572219674.db2.gz ASDXXGLPFVHBHH-UHFFFAOYSA-N 0 0 199.254 1.294 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 83412323 572219677 /nfs/dbraw/zinc/21/96/77/572219677.db2.gz GXJDHOFCGMWFMI-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@@H+](C)[C@H](CC)C1CC1 83414582 572219694 /nfs/dbraw/zinc/21/96/94/572219694.db2.gz AFFGCZABWFJPOA-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)(C)OC1CN([C@@H]2CC[C@H]2O)C1 687923565 572219695 /nfs/dbraw/zinc/21/96/95/572219695.db2.gz SKJNXDFMBFMQGV-NXEZZACHSA-N 0 0 199.294 1.009 10 0 ADAERN CC[N@H+]([C@H](C)C1CC1)C(C)(C)C(=O)[O-] 83408278 572219700 /nfs/dbraw/zinc/21/97/00/572219700.db2.gz WCJCGRNJCFCDOI-MRVPVSSYSA-N 0 0 199.294 1.970 10 0 ADAERN c1cnc2[nH]c(CCC3CC3)nc2n1 140422584 572219713 /nfs/dbraw/zinc/21/97/13/572219713.db2.gz PXXCNVXXWDNRCP-UHFFFAOYSA-N 0 0 188.234 1.696 10 0 ADAERN CCONCc1cn2ccccc2n1 70273904 572219794 /nfs/dbraw/zinc/21/97/94/572219794.db2.gz KFFMNSXEIWLDMC-UHFFFAOYSA-N 0 0 191.234 1.375 10 0 ADAERN CC[C@@H](C)N1CCC(=O)[C@@]12CCOC2 711972361 572219812 /nfs/dbraw/zinc/21/98/12/572219812.db2.gz NNCVSZSBPRAYOT-KOLCDFICSA-N 0 0 197.278 1.219 10 0 ADAERN C[C@H](Nc1cccc(Cl)c1)C(N)=O 20307650 572219859 /nfs/dbraw/zinc/21/98/59/572219859.db2.gz IBCBNLBPCUHVQF-LURJTMIESA-N 0 0 198.653 1.626 10 0 ADAERN Cc1ccc(NCC(N)=O)c(F)c1 20360643 572219920 /nfs/dbraw/zinc/21/99/20/572219920.db2.gz UTKHQUXJSPEXRN-UHFFFAOYSA-N 0 0 182.198 1.031 10 0 ADAERN OCc1cncnc1NC1CCCC1 20384694 572219941 /nfs/dbraw/zinc/21/99/41/572219941.db2.gz CQZFLBDUXQHWHS-UHFFFAOYSA-N 0 0 193.250 1.323 10 0 ADAERN CCONC[C@@H](O)c1ccccc1 70273923 572220022 /nfs/dbraw/zinc/22/00/22/572220022.db2.gz VHOZMODNFZWAJA-SNVBAGLBSA-N 0 0 181.235 1.261 10 0 ADAERN COC(=O)/C=C/COCCSC 393362549 572220032 /nfs/dbraw/zinc/22/00/32/572220032.db2.gz XJCJINLSONUMDX-ONEGZZNKSA-N 0 0 190.264 1.095 10 0 ADAERN COCCCCOCC(C)(C)CO 686328375 572220044 /nfs/dbraw/zinc/22/00/44/572220044.db2.gz XYPGTKJDEOMTOZ-UHFFFAOYSA-N 0 0 190.283 1.448 10 0 ADAERN CC1CCN(c2nsc(N)n2)CC1 20388065 572220067 /nfs/dbraw/zinc/22/00/67/572220067.db2.gz ZABFXLYJMSVJBN-UHFFFAOYSA-N 0 0 198.295 1.357 10 0 ADAERN CCc1cccc(NC(=S)NN)c1 20426778 572220079 /nfs/dbraw/zinc/22/00/79/572220079.db2.gz XFOWMKDDPVKSRK-UHFFFAOYSA-N 0 0 195.291 1.409 10 0 ADAERN CC[C@H](C)N1CCC(=O)[C@@]12CCOC2 711972370 572220091 /nfs/dbraw/zinc/22/00/91/572220091.db2.gz NNCVSZSBPRAYOT-ONGXEEELSA-N 0 0 197.278 1.219 10 0 ADAERN C[C@H](O)[C@@H](N)c1nc2ccccc2o1 20376054 572220112 /nfs/dbraw/zinc/22/01/12/572220112.db2.gz ADYVFCIDDNFXLE-IMTBSYHQSA-N 0 0 192.218 1.208 10 0 ADAERN COC(=O)[C@@H](CC=C(C)C)[C@H](C)O 220916603 572220134 /nfs/dbraw/zinc/22/01/34/572220134.db2.gz ZCLKXRBXJPGGLD-IUCAKERBSA-N 0 0 186.251 1.513 10 0 ADAERN Nc1cnccc1OCC(F)(F)F 20370515 572220168 /nfs/dbraw/zinc/22/01/68/572220168.db2.gz JSCZAIGVEGNKJG-UHFFFAOYSA-N 0 0 192.140 1.605 10 0 ADAERN C[C@H](Sc1ccccc1N)C(N)=O 20422226 572220182 /nfs/dbraw/zinc/22/01/82/572220182.db2.gz JUYBOJWVOBVDAB-LURJTMIESA-N 0 0 196.275 1.235 10 0 ADAERN Cc1ncc(CO)c(NCC(C)C)n1 20384883 572220191 /nfs/dbraw/zinc/22/01/91/572220191.db2.gz RXAPIXUDMZIIAL-UHFFFAOYSA-N 0 0 195.266 1.345 10 0 ADAERN CC(C)n1cc(N)c(C2CC2)n1 20314635 572220209 /nfs/dbraw/zinc/22/02/09/572220209.db2.gz MQEIWEZGAKZQCS-UHFFFAOYSA-N 0 0 165.240 1.924 10 0 ADAERN C/C(=C/C[NH2+][C@H](C)C1CCC1)C(=O)[O-] 235196289 572220238 /nfs/dbraw/zinc/22/02/38/572220238.db2.gz UGFDVPMVECDWPU-JGAIRUGNSA-N 0 0 197.278 1.796 10 0 ADAERN C[C@H](O)[C@H](N)c1nc2ccccc2o1 20376061 572220297 /nfs/dbraw/zinc/22/02/97/572220297.db2.gz ADYVFCIDDNFXLE-RCOVLWMOSA-N 0 0 192.218 1.208 10 0 ADAERN CCC(=O)N(C)[C@H]1CC[C@H](C)OC1 402385652 572220333 /nfs/dbraw/zinc/22/03/33/572220333.db2.gz PTZMHUUEPHPREU-IUCAKERBSA-N 0 0 185.267 1.422 10 0 ADAERN COC(=O)CN[C@H]1CCC[C@H](C)CC1 83427057 572220355 /nfs/dbraw/zinc/22/03/55/572220355.db2.gz CAPNVENUUGHBTQ-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H](C)[C@@H]1NC(=O)N(C(C)C)C1=O 36756340 572220357 /nfs/dbraw/zinc/22/03/57/572220357.db2.gz CJMKJNXHVBNJPL-YUMQZZPRSA-N 0 0 198.266 1.361 10 0 ADAERN C[C@H](O)c1cccc(-n2cccn2)c1 20412652 572220465 /nfs/dbraw/zinc/22/04/65/572220465.db2.gz VZVFZDCYWGBXTH-VIFPVBQESA-N 0 0 188.230 1.926 10 0 ADAERN CC(C)[C@@H]1CCCN(C=O)C1 147133964 572220502 /nfs/dbraw/zinc/22/05/02/572220502.db2.gz PRFIHMCCDAIXSB-SECBINFHSA-N 0 0 155.241 1.511 10 0 ADAERN COC(=O)CN[C@H]1CCC[C@@H](C)CC1 83427056 572220513 /nfs/dbraw/zinc/22/05/13/572220513.db2.gz CAPNVENUUGHBTQ-ZJUUUORDSA-N 0 0 199.294 1.718 10 0 ADAERN CCCOCc1ncc(C)c(CO)n1 300987206 572220594 /nfs/dbraw/zinc/22/05/94/572220594.db2.gz VGXANJOBZLWBFF-UHFFFAOYSA-N 0 0 196.250 1.204 10 0 ADAERN CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(=O)[O-])C1 235672634 572220606 /nfs/dbraw/zinc/22/06/06/572220606.db2.gz ABVPDCXJWRNIOK-PSASIEDQSA-N 0 0 197.278 1.653 10 0 ADAERN COC(=O)CN[C@@H]1CCC[C@@H](C)CC1 83427058 572220626 /nfs/dbraw/zinc/22/06/26/572220626.db2.gz CAPNVENUUGHBTQ-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)CN[C@@H]1CCC[C@H](C)CC1 83427059 572220747 /nfs/dbraw/zinc/22/07/47/572220747.db2.gz CAPNVENUUGHBTQ-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H]1OCC[C@@H]1c1nncn1CC 234109298 572220999 /nfs/dbraw/zinc/22/09/99/572220999.db2.gz QAOSZYVYCOXKOS-DTWKUNHWSA-N 0 0 195.266 1.581 10 0 ADAERN CC(C)N(C)Cc1csc(N)n1 36732527 572220758 /nfs/dbraw/zinc/22/07/58/572220758.db2.gz UTEIIWKZAKALBH-UHFFFAOYSA-N 0 0 185.296 1.566 10 0 ADAERN Cc1cc(-c2cnnc(N)n2)c(C)o1 36722125 572220817 /nfs/dbraw/zinc/22/08/17/572220817.db2.gz YTDSNBPAPGQNOC-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1cccc([C@H](N)c2ncon2)c1 36762034 572220918 /nfs/dbraw/zinc/22/09/18/572220918.db2.gz LMNSVZLNRUSXCI-VIFPVBQESA-N 0 0 189.218 1.426 10 0 ADAERN CC[C@@](O)(COC)c1ccsc1 83448735 572221048 /nfs/dbraw/zinc/22/10/48/572221048.db2.gz HHENPEQNUSYUBC-SECBINFHSA-N 0 0 186.276 1.992 10 0 ADAERN C[C@@H]([NH2+]C/C=C/C(=O)[O-])C1CCC1 235199057 572221087 /nfs/dbraw/zinc/22/10/87/572221087.db2.gz IXTKGEASINMYSW-GWSCVKMXSA-N 0 0 183.251 1.405 10 0 ADAERN CC(C)CCCNc1cnnn1C 300984984 572221124 /nfs/dbraw/zinc/22/11/24/572221124.db2.gz SORBGIBRWKLLEL-UHFFFAOYSA-N 0 0 182.271 1.663 10 0 ADAERN CC[C@H]1OCC[C@@H]1c1nncn1C 234109215 572221135 /nfs/dbraw/zinc/22/11/35/572221135.db2.gz FSINXKLXLWBGFV-JGVFFNPUSA-N 0 0 181.239 1.098 10 0 ADAERN CCC[C@@H](O)[C@H](O)CCC(C)C 113140722 572221151 /nfs/dbraw/zinc/22/11/51/572221151.db2.gz JWQSYFQPIPOGKQ-NXEZZACHSA-N 0 0 174.284 1.945 10 0 ADAERN CCC[C@H](O)[C@H](O)CCC(C)C 113140723 572221160 /nfs/dbraw/zinc/22/11/60/572221160.db2.gz JWQSYFQPIPOGKQ-VHSXEESVSA-N 0 0 174.284 1.945 10 0 ADAERN CC[C@H](O)[C@H](O)Cc1ccc(O)cc1 113140650 572221164 /nfs/dbraw/zinc/22/11/64/572221164.db2.gz WARAPUXNLAXERE-WDEREUQCSA-N 0 0 196.246 1.067 10 0 ADAERN COc1cccn2cc(C=O)nc12 87546357 572221210 /nfs/dbraw/zinc/22/12/10/572221210.db2.gz COPOSGAIAXNJGQ-UHFFFAOYSA-N 0 0 176.175 1.155 10 0 ADAERN CN1CC=Nc2ccccc2C1=O 205633259 572221233 /nfs/dbraw/zinc/22/12/33/572221233.db2.gz HXHIWKVJVURLAW-UHFFFAOYSA-N 0 0 174.203 1.475 10 0 ADAERN CN1Cc2ccc(C=O)cc2C1 20439130 572221621 /nfs/dbraw/zinc/22/16/21/572221621.db2.gz SITYFAOWUZAFSG-UHFFFAOYSA-N 0 0 161.204 1.445 10 0 ADAERN CN(C)Cc1csc(C=O)n1 20439907 572221274 /nfs/dbraw/zinc/22/12/74/572221274.db2.gz DABWHKOZVGRJDR-UHFFFAOYSA-N 0 0 170.237 1.017 10 0 ADAERN Cc1ccc(F)c(-n2cc[nH+]c2N)c1 235905568 572221360 /nfs/dbraw/zinc/22/13/60/572221360.db2.gz GQBOGXIKEZTUFF-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CC(C)[C@H](C)Oc1ncncc1CO 300984105 572221375 /nfs/dbraw/zinc/22/13/75/572221375.db2.gz ZCNOTKDPCVFLTJ-QMMMGPOBSA-N 0 0 196.250 1.392 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cc(OC)n(C)n1 300987189 572221383 /nfs/dbraw/zinc/22/13/83/572221383.db2.gz UBIFTAZWVRTFGV-XCBNKYQSSA-N 0 0 198.266 1.508 10 0 ADAERN C[C@@H]1CCCc2nccnc21 20973706 572221719 /nfs/dbraw/zinc/22/17/19/572221719.db2.gz JPKFXMPIYYDRJK-SSDOTTSWSA-N 0 0 148.209 1.916 10 0 ADAERN COC[C@H]1C(=O)CCN1C1CCCC1 711975579 572221443 /nfs/dbraw/zinc/22/14/43/572221443.db2.gz CJLXWBXRILDGRB-JTQLQIEISA-N 0 0 197.278 1.219 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cc(OC)n(C)n1 300987187 572221485 /nfs/dbraw/zinc/22/14/85/572221485.db2.gz UBIFTAZWVRTFGV-OIBJUYFYSA-N 0 0 198.266 1.508 10 0 ADAERN COC[C@@H]1C(=O)CCN1C1CCCC1 711975581 572221493 /nfs/dbraw/zinc/22/14/93/572221493.db2.gz CJLXWBXRILDGRB-SNVBAGLBSA-N 0 0 197.278 1.219 10 0 ADAERN CC[C@@H](O)[C@@H](O)Cc1ccc(O)cc1 113140643 572221512 /nfs/dbraw/zinc/22/15/12/572221512.db2.gz WARAPUXNLAXERE-MNOVXSKESA-N 0 0 196.246 1.067 10 0 ADAERN Cc1nn(C)c(OC2CCCC2)c1N 36749447 572221528 /nfs/dbraw/zinc/22/15/28/572221528.db2.gz UGMQHKYLARQQBV-UHFFFAOYSA-N 0 0 195.266 1.632 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cc(OC)n(C)n1 300987184 572221532 /nfs/dbraw/zinc/22/15/32/572221532.db2.gz UBIFTAZWVRTFGV-GMSGAONNSA-N 0 0 198.266 1.508 10 0 ADAERN CC[C@@H](C)[C@@H]1NC(=O)N(C(C)C)C1=O 36756339 572221535 /nfs/dbraw/zinc/22/15/35/572221535.db2.gz CJMKJNXHVBNJPL-SFYZADRCSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1nnc(N)nc1-c1ccccc1 36722156 572221609 /nfs/dbraw/zinc/22/16/09/572221609.db2.gz NJNMMUBJRZZTPM-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCOCCc1cccnc1N 70318432 572221646 /nfs/dbraw/zinc/22/16/46/572221646.db2.gz UMDOGKMJCXNSAK-UHFFFAOYSA-N 0 0 166.224 1.243 10 0 ADAERN O=Cc1cccc(N2CCNC2=O)c1 20438690 572221676 /nfs/dbraw/zinc/22/16/76/572221676.db2.gz FOJZJIMLELRPRQ-UHFFFAOYSA-N 0 0 190.202 1.029 10 0 ADAERN CCc1cc(=O)[nH]c(CC(C)C)n1 36755166 572221686 /nfs/dbraw/zinc/22/16/86/572221686.db2.gz XJUFLQKEZDEZJC-UHFFFAOYSA-N 0 0 180.251 1.531 10 0 ADAERN CC[C@](C)(O)CNc1cc(C)cnn1 234117113 572221705 /nfs/dbraw/zinc/22/17/05/572221705.db2.gz SYZNDYREWLQUNT-JTQLQIEISA-N 0 0 195.266 1.358 10 0 ADAERN CN1N=C(c2ccc(N)cc2)CC1=O 20439674 572221739 /nfs/dbraw/zinc/22/17/39/572221739.db2.gz FCFOXEOZUDHFFJ-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CC(C)[C@H]1CCCN(C=O)C1 147134094 572221741 /nfs/dbraw/zinc/22/17/41/572221741.db2.gz PRFIHMCCDAIXSB-VIFPVBQESA-N 0 0 155.241 1.511 10 0 ADAERN CC[C@]1(O)CCC[C@H](OC)C1 234106145 572221760 /nfs/dbraw/zinc/22/17/60/572221760.db2.gz TUEFFQUTRNSQNH-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@H](C)[C@H](O)c1cc(OC)n(C)n1 300987192 572221812 /nfs/dbraw/zinc/22/18/12/572221812.db2.gz UBIFTAZWVRTFGV-XVKPBYJWSA-N 0 0 198.266 1.508 10 0 ADAERN CC(=O)CCOCC1CC1 20439906 572221839 /nfs/dbraw/zinc/22/18/39/572221839.db2.gz AGCBOFXUQISSJM-UHFFFAOYSA-N 0 0 142.198 1.392 10 0 ADAERN Cc1nn(C)c(N(C)C(C)C)c1CO 20468097 572221937 /nfs/dbraw/zinc/22/19/37/572221937.db2.gz YOALUVWAQXIMRW-UHFFFAOYSA-N 0 0 197.282 1.065 10 0 ADAERN C[C@@H]([NH2+]C/C=C/C(=O)[O-])C1CC1 235199017 572222021 /nfs/dbraw/zinc/22/20/21/572222021.db2.gz YQNQSTAWDGHANC-TYWZFMJISA-N 0 0 169.224 1.015 10 0 ADAERN CC(C)[C@@H](O)CN1C(=O)CCC[C@H]1C 687796845 572222028 /nfs/dbraw/zinc/22/20/28/572222028.db2.gz NURWBNQEKDLGSW-ZJUUUORDSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)[C@H](O)CN1C(=O)CCC[C@@H]1C 687796844 572222058 /nfs/dbraw/zinc/22/20/58/572222058.db2.gz NURWBNQEKDLGSW-VHSXEESVSA-N 0 0 199.294 1.404 10 0 ADAERN O=Cc1ncc(-c2ccncc2)o1 20445027 572222069 /nfs/dbraw/zinc/22/20/69/572222069.db2.gz YYJXREJPWYCPQN-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN COCC[C@](C)(O)c1ccsc1 83447555 572222088 /nfs/dbraw/zinc/22/20/88/572222088.db2.gz IVRCLBLSVNBHTR-VIFPVBQESA-N 0 0 186.276 1.992 10 0 ADAERN CC[C@H]1N=C(C)C(C)(C)N1O 38874169 572222110 /nfs/dbraw/zinc/22/21/10/572222110.db2.gz AHQZFBJIXDNEJH-ZETCQYMHSA-N 0 0 156.229 1.667 10 0 ADAERN CCOC(=O)NCC(O)(CC)CC 83466845 572223804 /nfs/dbraw/zinc/22/38/04/572223804.db2.gz NEHFIKXQPRAFHA-UHFFFAOYSA-N 0 0 189.255 1.284 10 0 ADAERN CC[C@](O)(COC)c1ccsc1 83448737 572222213 /nfs/dbraw/zinc/22/22/13/572222213.db2.gz HHENPEQNUSYUBC-VIFPVBQESA-N 0 0 186.276 1.992 10 0 ADAERN CC(C)[C@@H](O)CN1C(=O)CCC[C@@H]1C 687796843 572222232 /nfs/dbraw/zinc/22/22/32/572222232.db2.gz NURWBNQEKDLGSW-UWVGGRQHSA-N 0 0 199.294 1.404 10 0 ADAERN Cc1cc([C@@H](C)O)c(C)o1 20439589 572222252 /nfs/dbraw/zinc/22/22/52/572222252.db2.gz FQJWGPFMXIYXSA-ZCFIWIBFSA-N 0 0 140.182 1.950 10 0 ADAERN C[C@@H](O)CCCN(C)c1ccnn1C 687796848 572222273 /nfs/dbraw/zinc/22/22/73/572222273.db2.gz OJHFELFTXOXFBE-SECBINFHSA-N 0 0 197.282 1.017 10 0 ADAERN CCC(CC)N(C)C(N)=S 36789150 572222278 /nfs/dbraw/zinc/22/22/78/572222278.db2.gz UOGPWBWYPHLMFP-UHFFFAOYSA-N 0 0 160.286 1.350 10 0 ADAERN CC[C@@H]1N=C(C)C(C)(C)N1O 38874167 572222286 /nfs/dbraw/zinc/22/22/86/572222286.db2.gz AHQZFBJIXDNEJH-SSDOTTSWSA-N 0 0 156.229 1.667 10 0 ADAERN Cc1nn(C)c(NCC2CCC2)c1N 36749324 572222315 /nfs/dbraw/zinc/22/23/15/572222315.db2.gz OQPBAQJSEGFBRD-UHFFFAOYSA-N 0 0 194.282 1.523 10 0 ADAERN O=C1CCN(C2CC2)[C@H]1C1CCCC1 711974676 572222334 /nfs/dbraw/zinc/22/23/34/572222334.db2.gz SZOYXNCDSOFTIL-LBPRGKRZSA-N 0 0 193.290 1.982 10 0 ADAERN Cc1ccc(C)n1CC(=O)NC1CC1 36782711 572222347 /nfs/dbraw/zinc/22/23/47/572222347.db2.gz RPLLTXDNCFZSDP-UHFFFAOYSA-N 0 0 192.262 1.384 10 0 ADAERN O=Cc1ccc(-c2ncc[nH]2)cc1 20439665 572222350 /nfs/dbraw/zinc/22/23/50/572222350.db2.gz QEHDUERNBWAULT-UHFFFAOYSA-N 0 0 172.187 1.889 10 0 ADAERN C[C@@H]([NH2+]C/C=C/C(=O)[O-])C(C)(C)C 235198928 572222356 /nfs/dbraw/zinc/22/23/56/572222356.db2.gz WERVAIVORQADTJ-HQZHTGGTSA-N 0 0 185.267 1.651 10 0 ADAERN O=Cc1ncc(-c2ccccn2)o1 20445019 572222390 /nfs/dbraw/zinc/22/23/90/572222390.db2.gz PTVARLHHKZVXAH-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN C[C@H](C1CC1)N(C)c1ncccc1N 36783270 572222396 /nfs/dbraw/zinc/22/23/96/572222396.db2.gz DPNPLSDBZJPSBQ-MRVPVSSYSA-N 0 0 191.278 1.899 10 0 ADAERN CC(C)[C@@H](C)Oc1ncncc1CO 300984102 572222469 /nfs/dbraw/zinc/22/24/69/572222469.db2.gz ZCNOTKDPCVFLTJ-MRVPVSSYSA-N 0 0 196.250 1.392 10 0 ADAERN CCCC(=O)[C@H](OC)[C@H](C)COC 687713861 572232762 /nfs/dbraw/zinc/23/27/62/572232762.db2.gz SSKDYUPOVATKLH-PSASIEDQSA-N 0 0 188.267 1.653 10 0 ADAERN COCC[C@@](C)(O)c1ccsc1 83447553 572222558 /nfs/dbraw/zinc/22/25/58/572222558.db2.gz IVRCLBLSVNBHTR-SECBINFHSA-N 0 0 186.276 1.992 10 0 ADAERN CCC[C@@H](O)C(=O)[C@H](C)CC 113141277 572222641 /nfs/dbraw/zinc/22/26/41/572222641.db2.gz XJXJLAVOTYJQBN-HTQZYQBOSA-N 0 0 158.241 1.763 10 0 ADAERN COCCCc1cccnc1N 70318425 572222648 /nfs/dbraw/zinc/22/26/48/572222648.db2.gz SUYISEFNLALREC-UHFFFAOYSA-N 0 0 166.224 1.243 10 0 ADAERN Cc1cc([C@H](C)O)c(C)o1 20439593 572222653 /nfs/dbraw/zinc/22/26/53/572222653.db2.gz FQJWGPFMXIYXSA-LURJTMIESA-N 0 0 140.182 1.950 10 0 ADAERN C[C@H](O)CCCN(C)c1ccnn1C 687796849 572222662 /nfs/dbraw/zinc/22/26/62/572222662.db2.gz OJHFELFTXOXFBE-VIFPVBQESA-N 0 0 197.282 1.017 10 0 ADAERN CC[C@H](C)[C@H]1NC(=O)N(C(C)C)C1=O 36756338 572222673 /nfs/dbraw/zinc/22/26/73/572222673.db2.gz CJMKJNXHVBNJPL-JGVFFNPUSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1cccc([C@@H](N)c2ncon2)c1 36762035 572222756 /nfs/dbraw/zinc/22/27/56/572222756.db2.gz LMNSVZLNRUSXCI-SECBINFHSA-N 0 0 189.218 1.426 10 0 ADAERN CC[C@@H]1C(=O)C[C@H]1c1nccnc1C 234108679 572222816 /nfs/dbraw/zinc/22/28/16/572222816.db2.gz ZDTLVQQPAQVMLF-DTWKUNHWSA-N 0 0 190.246 1.868 10 0 ADAERN Cc1n[nH]c(C)c1NC(=O)NC(C)C 36734215 572222827 /nfs/dbraw/zinc/22/28/27/572222827.db2.gz FYZPQEYSZPXKFX-UHFFFAOYSA-N 0 0 196.254 1.556 10 0 ADAERN C[C@@H]([NH2+]C/C=C/C(=O)[O-])C1CCCC1 235199102 572222874 /nfs/dbraw/zinc/22/28/74/572222874.db2.gz IMSGAQFNLZQMTH-ILFKPUCNSA-N 0 0 197.278 1.796 10 0 ADAERN Cc1onc(-c2ccncc2)c1C=O 20443909 572222896 /nfs/dbraw/zinc/22/28/96/572222896.db2.gz FQMBOIMIMMQABX-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN Cc1n[nH]c(C)c1NC[C@@H]1CCOC1 36734800 572222907 /nfs/dbraw/zinc/22/29/07/572222907.db2.gz AESBSROXRIJBRL-VIFPVBQESA-N 0 0 195.266 1.475 10 0 ADAERN O=Cc1ncc(C2CC2)o1 20445056 572222915 /nfs/dbraw/zinc/22/29/15/572222915.db2.gz TZXOSSGKVORKDR-UHFFFAOYSA-N 0 0 137.138 1.365 10 0 ADAERN CCCOC(=O)N(C)Cc1cc[nH]n1 400033161 572222938 /nfs/dbraw/zinc/22/29/38/572222938.db2.gz IFGFTVXEDAEBLM-UHFFFAOYSA-N 0 0 197.238 1.388 10 0 ADAERN CCSC[C@H](O)c1ccnn1C 83484727 572222940 /nfs/dbraw/zinc/22/29/40/572222940.db2.gz PCBKCYDPNKASCT-QMMMGPOBSA-N 0 0 186.280 1.207 10 0 ADAERN O=Cc1cccc(CN2CCCC2)n1 20441869 572222958 /nfs/dbraw/zinc/22/29/58/572222958.db2.gz DICWBNGTRSLZHL-UHFFFAOYSA-N 0 0 190.246 1.490 10 0 ADAERN CC[C@H](O)[C@@H](O)Cc1ccc(O)cc1 113140645 572222969 /nfs/dbraw/zinc/22/29/69/572222969.db2.gz WARAPUXNLAXERE-QWRGUYRKSA-N 0 0 196.246 1.067 10 0 ADAERN O=Cc1c(C2CC2)nc2ncccn12 20444279 572222980 /nfs/dbraw/zinc/22/29/80/572222980.db2.gz JDYYRSNLZODDJO-UHFFFAOYSA-N 0 0 187.202 1.419 10 0 ADAERN CCC[C@H](O)C(=O)[C@H](C)CC 113141279 572222989 /nfs/dbraw/zinc/22/29/89/572222989.db2.gz XJXJLAVOTYJQBN-SFYZADRCSA-N 0 0 158.241 1.763 10 0 ADAERN CC[C@@H](O)[C@H](O)Cc1ccc(O)cc1 113140648 572223053 /nfs/dbraw/zinc/22/30/53/572223053.db2.gz WARAPUXNLAXERE-GHMZBOCLSA-N 0 0 196.246 1.067 10 0 ADAERN NC(=O)COCc1ccc(Cl)cc1 83473981 572223076 /nfs/dbraw/zinc/22/30/76/572223076.db2.gz CTZWMFRHLKYFDW-UHFFFAOYSA-N 0 0 199.637 1.342 10 0 ADAERN C[C@H]1CCCc2nccnc21 20973711 572223103 /nfs/dbraw/zinc/22/31/03/572223103.db2.gz JPKFXMPIYYDRJK-ZETCQYMHSA-N 0 0 148.209 1.916 10 0 ADAERN CCC[C@H](O)[C@@H](O)CCC(C)C 113140720 572223153 /nfs/dbraw/zinc/22/31/53/572223153.db2.gz JWQSYFQPIPOGKQ-UWVGGRQHSA-N 0 0 174.284 1.945 10 0 ADAERN Cc1ccc([C@@H](N)c2ncon2)cc1 36762078 572223118 /nfs/dbraw/zinc/22/31/18/572223118.db2.gz OLMVUNNUXOKIKE-SECBINFHSA-N 0 0 189.218 1.426 10 0 ADAERN CCC(O)(CC)CNc1ccncn1 83466693 572223119 /nfs/dbraw/zinc/22/31/19/572223119.db2.gz NANWSGDVHUNVEE-UHFFFAOYSA-N 0 0 195.266 1.440 10 0 ADAERN CC(C)[C@H](O)CN1C(=O)CCC[C@H]1C 687796842 572223178 /nfs/dbraw/zinc/22/31/78/572223178.db2.gz NURWBNQEKDLGSW-NXEZZACHSA-N 0 0 199.294 1.404 10 0 ADAERN CC[C@@H](C)[C@H]1NC(=O)N(C(C)C)C1=O 36756337 572223187 /nfs/dbraw/zinc/22/31/87/572223187.db2.gz CJMKJNXHVBNJPL-HTQZYQBOSA-N 0 0 198.266 1.361 10 0 ADAERN CCOC(=O)/C=C/[C@@H]1CCOC1 113129804 572223860 /nfs/dbraw/zinc/22/38/60/572223860.db2.gz BACHKFAFTCVKGP-MPJRPATESA-N 0 0 170.208 1.142 10 0 ADAERN O=Cc1nccn1CC1CC1 20444998 572223347 /nfs/dbraw/zinc/22/33/47/572223347.db2.gz ZWIUISNNTWDFAB-UHFFFAOYSA-N 0 0 150.181 1.106 10 0 ADAERN CCCC[C@@H]1C(=O)CCN1CCOC 711975646 572223454 /nfs/dbraw/zinc/22/34/54/572223454.db2.gz DGJWCZRQGHVLRX-SNVBAGLBSA-N 0 0 199.294 1.466 10 0 ADAERN CCSCC(=O)c1nccn1CC 83484623 572223585 /nfs/dbraw/zinc/22/35/85/572223585.db2.gz KBVPGVZARXBMKZ-UHFFFAOYSA-N 0 0 198.291 1.839 10 0 ADAERN CC(C)[C@H](C)OCc1noc(CN)n1 300988701 572223603 /nfs/dbraw/zinc/22/36/03/572223603.db2.gz ZSYIJJWGWRKSIK-ZETCQYMHSA-N 0 0 199.254 1.089 10 0 ADAERN CCc1c(-c2cn(C)cn2)noc1N 234119748 572223683 /nfs/dbraw/zinc/22/36/83/572223683.db2.gz JNLSOFAUBHWDHM-UHFFFAOYSA-N 0 0 192.222 1.220 10 0 ADAERN Cc1cc(Nc2nccn2C)nn1C 300988656 572223698 /nfs/dbraw/zinc/22/36/98/572223698.db2.gz UQMCIMYSDRHMOH-UHFFFAOYSA-N 0 0 191.238 1.206 10 0 ADAERN CCSCC(=O)Cc1cnn(C)c1 83484584 572223708 /nfs/dbraw/zinc/22/37/08/572223708.db2.gz MLSAQOVXOWJNSY-UHFFFAOYSA-N 0 0 198.291 1.285 10 0 ADAERN CCCn1nncc1N[C@@H](C)C1CC1 300988399 572223737 /nfs/dbraw/zinc/22/37/37/572223737.db2.gz TVWIKVGUQKDLQJ-QMMMGPOBSA-N 0 0 194.282 1.899 10 0 ADAERN CC(C)N(C)C(=O)c1cc(N)cn1C 36861027 572223742 /nfs/dbraw/zinc/22/37/42/572223742.db2.gz CSUMKHZQSCGCCS-UHFFFAOYSA-N 0 0 195.266 1.088 10 0 ADAERN CC(C)[C@@H](O)[C@@H](O)Cc1ccccc1 113139149 572223753 /nfs/dbraw/zinc/22/37/53/572223753.db2.gz WBAZAOUKSLPUIC-NWDGAFQWSA-N 0 0 194.274 1.607 10 0 ADAERN Cc1ccc(-c2nnc(N)s2)n1C 67799672 572223770 /nfs/dbraw/zinc/22/37/70/572223770.db2.gz HWZQSPYLPKNDHN-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCSCc1noc(CNC)n1 83484348 572223807 /nfs/dbraw/zinc/22/38/07/572223807.db2.gz UAJGCHNADAOFPG-UHFFFAOYSA-N 0 0 187.268 1.042 10 0 ADAERN OCC1=CCC(c2ccccn2)S1 725712009 572223991 /nfs/dbraw/zinc/22/39/91/572223991.db2.gz NKLQHSKKMHVQTC-UHFFFAOYSA-N 0 0 192.263 1.975 10 0 ADAERN CCSCC(=O)C1CCOCC1 83484594 572224000 /nfs/dbraw/zinc/22/40/00/572224000.db2.gz LLVWAEXFISTUQK-UHFFFAOYSA-N 0 0 188.292 1.735 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H](O)[C@@H](C)CC 113142929 572224860 /nfs/dbraw/zinc/22/48/60/572224860.db2.gz AKDWHHKNOGULDP-XKNYDFJKSA-N 0 0 174.284 1.800 10 0 ADAERN CCSC[C@H](O)c1nccn1C 83484679 572224071 /nfs/dbraw/zinc/22/40/71/572224071.db2.gz ZTVWRENWVLRBHN-ZETCQYMHSA-N 0 0 186.280 1.207 10 0 ADAERN OC[C@H](O)CCCCc1ccccc1 113129747 572224098 /nfs/dbraw/zinc/22/40/98/572224098.db2.gz CGWFQTZOKGRZEE-GFCCVEGCSA-N 0 0 194.274 1.753 10 0 ADAERN OC1(CNCC(F)F)CCCCC1 83466382 572224372 /nfs/dbraw/zinc/22/43/72/572224372.db2.gz QVDWKVVGHSNOGG-UHFFFAOYSA-N 0 0 193.237 1.536 10 0 ADAERN CCSCc1noc([C@@H](C)N)n1 83484230 572224864 /nfs/dbraw/zinc/22/48/64/572224864.db2.gz HHSWQZVPFWJEHD-RXMQYKEDSA-N 0 0 187.268 1.342 10 0 ADAERN CCSCC(=O)c1cnn(CC)c1 83484546 572224869 /nfs/dbraw/zinc/22/48/69/572224869.db2.gz MCWKLOZIYXZXIL-UHFFFAOYSA-N 0 0 198.291 1.839 10 0 ADAERN CCSCC(=O)c1cncnc1 83484532 572224229 /nfs/dbraw/zinc/22/42/29/572224229.db2.gz BZCFYFCYPGOYDH-UHFFFAOYSA-N 0 0 182.248 1.412 10 0 ADAERN CCSCC(=O)c1ccnn1C 83484643 572224259 /nfs/dbraw/zinc/22/42/59/572224259.db2.gz MZMAZBCXOKAAPU-UHFFFAOYSA-N 0 0 184.264 1.356 10 0 ADAERN CC[C@@H](O)[C@@H](O)Cc1ccccc1 113138945 572224289 /nfs/dbraw/zinc/22/42/89/572224289.db2.gz CBDPBQBVIUCUFL-MNOVXSKESA-N 0 0 180.247 1.361 10 0 ADAERN CCSC[C@@H](O)c1nccn1C 83484680 572224295 /nfs/dbraw/zinc/22/42/95/572224295.db2.gz ZTVWRENWVLRBHN-SSDOTTSWSA-N 0 0 186.280 1.207 10 0 ADAERN CCO[C@@H](C)c1ncc(C)c(CO)n1 300985859 572224310 /nfs/dbraw/zinc/22/43/10/572224310.db2.gz VAKQBSVEZMQHRE-QMMMGPOBSA-N 0 0 196.250 1.375 10 0 ADAERN CCSCC(=O)c1nccn1C 83484498 572224318 /nfs/dbraw/zinc/22/43/18/572224318.db2.gz QWMGDIDWFAOPHJ-UHFFFAOYSA-N 0 0 184.264 1.356 10 0 ADAERN CC[C@H](O)[C@H](O)Cc1ccccc1 113138950 572224330 /nfs/dbraw/zinc/22/43/30/572224330.db2.gz CBDPBQBVIUCUFL-WDEREUQCSA-N 0 0 180.247 1.361 10 0 ADAERN CC(C)CCCOCC(N)=S 20515801 572224345 /nfs/dbraw/zinc/22/43/45/572224345.db2.gz AOPNVDVZRPTPNW-UHFFFAOYSA-N 0 0 175.297 1.725 10 0 ADAERN CCC(O)(CC)CNCC(F)(F)F 83465989 572224398 /nfs/dbraw/zinc/22/43/98/572224398.db2.gz RNRLIZCISXBGDE-UHFFFAOYSA-N 0 0 199.216 1.689 10 0 ADAERN CCC[C@@](C)(C(=O)[O-])[N@@H+]1CC[C@H]1C 251347817 572224410 /nfs/dbraw/zinc/22/44/10/572224410.db2.gz PXPNOFWWCALTQK-SCZZXKLOSA-N 0 0 185.267 1.724 10 0 ADAERN CCSCC(=O)c1cnccn1 83484624 572224430 /nfs/dbraw/zinc/22/44/30/572224430.db2.gz DGFMFCHFMMDRAH-UHFFFAOYSA-N 0 0 182.248 1.412 10 0 ADAERN CC[C@@](C)(O)CNCC(F)(F)F 83465652 572224458 /nfs/dbraw/zinc/22/44/58/572224458.db2.gz NZSMBMPSRONQLC-ZCFIWIBFSA-N 0 0 185.189 1.299 10 0 ADAERN CC[C@](C)(O)CNC(=O)OC(C)C 83467789 572224512 /nfs/dbraw/zinc/22/45/12/572224512.db2.gz LYIOWKNGBPKGAF-VIFPVBQESA-N 0 0 189.255 1.282 10 0 ADAERN CSC[C@H](C)C(=O)c1ncccn1 300985598 572224583 /nfs/dbraw/zinc/22/45/83/572224583.db2.gz SQRFCZRFBHMIOT-ZETCQYMHSA-N 0 0 196.275 1.658 10 0 ADAERN CCSC[C@H](O)c1cncnc1 83484663 572224584 /nfs/dbraw/zinc/22/45/84/572224584.db2.gz LOZGFAVNLOEPRD-QMMMGPOBSA-N 0 0 184.264 1.263 10 0 ADAERN OC1(CNCC(F)F)CCCC1 83466219 572224597 /nfs/dbraw/zinc/22/45/97/572224597.db2.gz XRCOCMRYNXBUMP-UHFFFAOYSA-N 0 0 179.210 1.146 10 0 ADAERN CCC[C@H](O)[C@@H](O)CC(C)C 113143118 572224601 /nfs/dbraw/zinc/22/46/01/572224601.db2.gz QXCZZCQFVNJIJS-IUCAKERBSA-N 0 0 160.257 1.554 10 0 ADAERN CC[C@](C)(O)CNCC(F)(F)F 83465651 572224612 /nfs/dbraw/zinc/22/46/12/572224612.db2.gz NZSMBMPSRONQLC-LURJTMIESA-N 0 0 185.189 1.299 10 0 ADAERN CCC[C@](C)(C(=O)[O-])[N@@H+]1CC[C@H]1C 251347815 572224642 /nfs/dbraw/zinc/22/46/42/572224642.db2.gz PXPNOFWWCALTQK-PSASIEDQSA-N 0 0 185.267 1.724 10 0 ADAERN S=C1N=NCN1Cc1ccncc1 20583624 572224889 /nfs/dbraw/zinc/22/48/89/572224889.db2.gz OVQIWDTWQVFNRB-UHFFFAOYSA-N 0 0 192.247 1.010 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@H+](C)C(C)C 20549855 572224695 /nfs/dbraw/zinc/22/46/95/572224695.db2.gz LJMLITNTQNOMJA-MRVPVSSYSA-N 0 0 173.256 1.436 10 0 ADAERN CC[C@H](C)[C@H](O)[C@H](O)[C@@H](C)CC 113142926 572224758 /nfs/dbraw/zinc/22/47/58/572224758.db2.gz AKDWHHKNOGULDP-AATLWQCWSA-N 0 0 174.284 1.800 10 0 ADAERN CC[C@@H](O)[C@H](O)Cc1ccccc1 113138948 572224766 /nfs/dbraw/zinc/22/47/66/572224766.db2.gz CBDPBQBVIUCUFL-GHMZBOCLSA-N 0 0 180.247 1.361 10 0 ADAERN CCSC[C@@H](O)c1ccnn1C 83484728 572224776 /nfs/dbraw/zinc/22/47/76/572224776.db2.gz PCBKCYDPNKASCT-MRVPVSSYSA-N 0 0 186.280 1.207 10 0 ADAERN CCCC[C@@H](C)c1nc(CO)no1 300988870 572224822 /nfs/dbraw/zinc/22/48/22/572224822.db2.gz VNRAGNNYCJYOEY-SSDOTTSWSA-N 0 0 184.239 1.856 10 0 ADAERN CCSCC(=O)c1cnn(C)c1 83484610 572224833 /nfs/dbraw/zinc/22/48/33/572224833.db2.gz XOHIKTSXSMXPDS-UHFFFAOYSA-N 0 0 184.264 1.356 10 0 ADAERN CCCC[C@@H](C)c1nc(N)n(C)n1 300988192 572224845 /nfs/dbraw/zinc/22/48/45/572224845.db2.gz VMAYRRBONLSVPX-SSDOTTSWSA-N 0 0 182.271 1.691 10 0 ADAERN CCSCc1nc(C)cc(C=O)n1 83486157 572225974 /nfs/dbraw/zinc/22/59/74/572225974.db2.gz RIGQGKRLFLCVEH-UHFFFAOYSA-N 0 0 196.275 1.851 10 0 ADAERN CC[C@@H](O)C(=O)Cc1ccc(O)cc1 113141842 572225075 /nfs/dbraw/zinc/22/50/75/572225075.db2.gz SQHASRIHNZICFX-SNVBAGLBSA-N 0 0 194.230 1.275 10 0 ADAERN CN(C)C(=O)c1cc(N)cn1C1CC1 36861568 572225133 /nfs/dbraw/zinc/22/51/33/572225133.db2.gz IZUSBRVAJZYBPO-UHFFFAOYSA-N 0 0 193.250 1.107 10 0 ADAERN CC[C@@](C)(O)CNC(=O)OC(C)C 83467790 572225134 /nfs/dbraw/zinc/22/51/34/572225134.db2.gz LYIOWKNGBPKGAF-SECBINFHSA-N 0 0 189.255 1.282 10 0 ADAERN CCC(=O)[C@H](O)Cc1ccccc1 113144009 572225190 /nfs/dbraw/zinc/22/51/90/572225190.db2.gz BLINVGVCILRBBV-LLVKDONJSA-N 0 0 178.231 1.569 10 0 ADAERN CCc1ccc(NC[C@H](O)CO)cc1 37880944 572225198 /nfs/dbraw/zinc/22/51/98/572225198.db2.gz YJDOCTOHFUAXIQ-NSHDSACASA-N 0 0 195.262 1.014 10 0 ADAERN CCCC[C@H](C)c1nc(CO)no1 300988872 572225232 /nfs/dbraw/zinc/22/52/32/572225232.db2.gz VNRAGNNYCJYOEY-ZETCQYMHSA-N 0 0 184.239 1.856 10 0 ADAERN CCNc1nc(CSCC)no1 83486148 572226523 /nfs/dbraw/zinc/22/65/23/572226523.db2.gz ZNRQMCLLZFLNNI-UHFFFAOYSA-N 0 0 187.268 1.755 10 0 ADAERN CCC[C@H](O)C(=O)CC(C)C 113144134 572225376 /nfs/dbraw/zinc/22/53/76/572225376.db2.gz OVGKBGVQNSDHPP-QMMMGPOBSA-N 0 0 158.241 1.763 10 0 ADAERN S=c1[nH]ncn1CC1CC1 20583066 572225399 /nfs/dbraw/zinc/22/53/99/572225399.db2.gz PSCNLFDICTWMTJ-UHFFFAOYSA-N 0 0 155.226 1.351 10 0 ADAERN CCOC[C@H](C)OC(=O)CC 113138045 572225415 /nfs/dbraw/zinc/22/54/15/572225415.db2.gz ODDDCGGSPAPBOS-ZETCQYMHSA-N 0 0 160.213 1.365 10 0 ADAERN CCC[C@@H](O)C(=O)CC(C)C 113144132 572225431 /nfs/dbraw/zinc/22/54/31/572225431.db2.gz OVGKBGVQNSDHPP-MRVPVSSYSA-N 0 0 158.241 1.763 10 0 ADAERN CCCSCC(=O)[C@H]1CCOC1 83486701 572225448 /nfs/dbraw/zinc/22/54/48/572225448.db2.gz BWUODOIQYDQVTB-QMMMGPOBSA-N 0 0 188.292 1.735 10 0 ADAERN COC(C)(C)CN(C)c1ccnn1C 687713035 572225457 /nfs/dbraw/zinc/22/54/57/572225457.db2.gz XTPJJQHKITWSGN-UHFFFAOYSA-N 0 0 197.282 1.281 10 0 ADAERN CC(C)CN1C(=O)CC1(C)C 687797566 572225465 /nfs/dbraw/zinc/22/54/65/572225465.db2.gz YBOXKFUMSKQQNR-UHFFFAOYSA-N 0 0 155.241 1.653 10 0 ADAERN CCSC[C@H](O)c1cccnc1N 83484883 572225468 /nfs/dbraw/zinc/22/54/68/572225468.db2.gz PCXBLYZTMAQVHA-QMMMGPOBSA-N 0 0 198.291 1.450 10 0 ADAERN CCCC[C@H](C)c1nc(N)n(C)n1 300988193 572225469 /nfs/dbraw/zinc/22/54/69/572225469.db2.gz VMAYRRBONLSVPX-ZETCQYMHSA-N 0 0 182.271 1.691 10 0 ADAERN CCCSCC(=O)c1cncnc1 83486710 572225489 /nfs/dbraw/zinc/22/54/89/572225489.db2.gz VFVIQCIIAFMOOF-UHFFFAOYSA-N 0 0 196.275 1.803 10 0 ADAERN CCC[C@H](O)[C@@H](O)[C@@H](C)CC 113141799 572225503 /nfs/dbraw/zinc/22/55/03/572225503.db2.gz YCBJOJNMPXXEFW-CIUDSAMLSA-N 0 0 160.257 1.554 10 0 ADAERN CCSC[C@H](O)c1cccnc1 83484789 572225508 /nfs/dbraw/zinc/22/55/08/572225508.db2.gz QUBQPXULCIHYIZ-VIFPVBQESA-N 0 0 183.276 1.868 10 0 ADAERN CC[C@H](O)[C@@H](O)Cc1ccccc1 113138947 572225512 /nfs/dbraw/zinc/22/55/12/572225512.db2.gz CBDPBQBVIUCUFL-QWRGUYRKSA-N 0 0 180.247 1.361 10 0 ADAERN CC(C)SCC(=O)[C@H]1CCOC1 83488455 572225524 /nfs/dbraw/zinc/22/55/24/572225524.db2.gz OVVCUXCFPTVCLO-QMMMGPOBSA-N 0 0 188.292 1.734 10 0 ADAERN CCCCCc1cc(N)n[nH]1 20481557 572225526 /nfs/dbraw/zinc/22/55/26/572225526.db2.gz GOEALGZVWIHJMH-UHFFFAOYSA-N 0 0 153.229 1.725 10 0 ADAERN C[C@H](NC(=O)c1cc(N)c[nH]1)C1CC1 36863147 572225567 /nfs/dbraw/zinc/22/55/67/572225567.db2.gz LPZDBJZWBDWULZ-LURJTMIESA-N 0 0 193.250 1.125 10 0 ADAERN CCC[C@H](O)[C@H](O)[C@@H](C)CC 113141803 572225579 /nfs/dbraw/zinc/22/55/79/572225579.db2.gz YCBJOJNMPXXEFW-XHNCKOQMSA-N 0 0 160.257 1.554 10 0 ADAERN OCCCCCOc1ccnc(F)c1 300989645 572225581 /nfs/dbraw/zinc/22/55/81/572225581.db2.gz ZWNXDOYGPITZLN-UHFFFAOYSA-N 0 0 199.225 1.762 10 0 ADAERN OC1CCC(Nc2ccccn2)CC1 20558160 572225582 /nfs/dbraw/zinc/22/55/82/572225582.db2.gz URUIFNIYWWHXBH-UHFFFAOYSA-N 0 0 192.262 1.797 10 0 ADAERN CCSC[C@H](O)c1cnccn1 83484925 572225591 /nfs/dbraw/zinc/22/55/91/572225591.db2.gz CVAGDVBOHHYRMI-QMMMGPOBSA-N 0 0 184.264 1.263 10 0 ADAERN CCC(=O)[C@@H](O)Cc1ccccc1 113144007 572225600 /nfs/dbraw/zinc/22/56/00/572225600.db2.gz BLINVGVCILRBBV-NSHDSACASA-N 0 0 178.231 1.569 10 0 ADAERN CC[C@@H](C)n1cn[nH]c1=S 20583461 572225662 /nfs/dbraw/zinc/22/56/62/572225662.db2.gz KADUWACLJBDETC-RXMQYKEDSA-N 0 0 157.242 1.912 10 0 ADAERN CCCSCC(=O)c1nccn1C 83486680 572225667 /nfs/dbraw/zinc/22/56/67/572225667.db2.gz CGXGAIUEGCKMJC-UHFFFAOYSA-N 0 0 198.291 1.746 10 0 ADAERN CC(C)[C@H](O)[C@@H](O)Cc1ccccc1 113139151 572225731 /nfs/dbraw/zinc/22/57/31/572225731.db2.gz WBAZAOUKSLPUIC-RYUDHWBXSA-N 0 0 194.274 1.607 10 0 ADAERN CCCSCc1nccc(CO)n1 83488020 572227220 /nfs/dbraw/zinc/22/72/20/572227220.db2.gz FUIXKXHMANOTFD-UHFFFAOYSA-N 0 0 198.291 1.612 10 0 ADAERN C[C@@H]1CCC[C@H](OCC(N)=S)C1 20515989 572225740 /nfs/dbraw/zinc/22/57/40/572225740.db2.gz IAUPQNLMSOQDDH-SFYZADRCSA-N 0 0 187.308 1.868 10 0 ADAERN CCCCCCOCC(N)=S 20515919 572225750 /nfs/dbraw/zinc/22/57/50/572225750.db2.gz YSOMZCSDCBGKCZ-UHFFFAOYSA-N 0 0 175.297 1.869 10 0 ADAERN CC[C@H](O)C(=O)Cc1ccc(O)cc1 113141843 572225755 /nfs/dbraw/zinc/22/57/55/572225755.db2.gz SQHASRIHNZICFX-JTQLQIEISA-N 0 0 194.230 1.275 10 0 ADAERN CC(C)N1C(=O)CC12CCC2 687797568 572225759 /nfs/dbraw/zinc/22/57/59/572225759.db2.gz YCHVJMXAVGZQSV-UHFFFAOYSA-N 0 0 153.225 1.550 10 0 ADAERN CCCn1nncc1N[C@H](C)C1CC1 300988397 572225782 /nfs/dbraw/zinc/22/57/82/572225782.db2.gz TVWIKVGUQKDLQJ-MRVPVSSYSA-N 0 0 194.282 1.899 10 0 ADAERN CCSC[C@@H](O)c1cccnc1N 83484884 572225791 /nfs/dbraw/zinc/22/57/91/572225791.db2.gz PCXBLYZTMAQVHA-MRVPVSSYSA-N 0 0 198.291 1.450 10 0 ADAERN CCSCc1nccc(CO)n1 83486192 572225796 /nfs/dbraw/zinc/22/57/96/572225796.db2.gz KCXCSVMCJXXXTR-UHFFFAOYSA-N 0 0 184.264 1.222 10 0 ADAERN CCCSCc1nc(C)nc(N)n1 83488174 572225826 /nfs/dbraw/zinc/22/58/26/572225826.db2.gz MCXBPRQRQHZPAF-UHFFFAOYSA-N 0 0 198.295 1.405 10 0 ADAERN Cc1c[nH]c(Nc2cc(C)n(C)n2)n1 300989429 572225836 /nfs/dbraw/zinc/22/58/36/572225836.db2.gz UVEVYGWJLRTGOR-UHFFFAOYSA-N 0 0 191.238 1.504 10 0 ADAERN CC(C)SCC(=O)[C@@H]1CCOC1 83488454 572225871 /nfs/dbraw/zinc/22/58/71/572225871.db2.gz OVVCUXCFPTVCLO-MRVPVSSYSA-N 0 0 188.292 1.734 10 0 ADAERN CCCSCc1ncc(N)cn1 83486631 572225881 /nfs/dbraw/zinc/22/58/81/572225881.db2.gz RKPRRWLEYPNVCI-UHFFFAOYSA-N 0 0 183.280 1.702 10 0 ADAERN CCCC[C@@H](C)C(=O)NCC(C)=O 300985281 572225883 /nfs/dbraw/zinc/22/58/83/572225883.db2.gz UYRKUUPRISYBHS-MRVPVSSYSA-N 0 0 185.267 1.518 10 0 ADAERN CCCSCC(=O)c1ccnn1C 83486804 572225923 /nfs/dbraw/zinc/22/59/23/572225923.db2.gz CIOWYLOSXGUEQT-UHFFFAOYSA-N 0 0 198.291 1.746 10 0 ADAERN CCSCC(=O)[C@@H](C)C(=O)OC 83486047 572225925 /nfs/dbraw/zinc/22/59/25/572225925.db2.gz MLDJPBXBPXBIBU-ZCFIWIBFSA-N 0 0 190.264 1.118 10 0 ADAERN CCCSCc1noc(NC)n1 83487985 572225957 /nfs/dbraw/zinc/22/59/57/572225957.db2.gz GFNAEZBXJQRKTR-UHFFFAOYSA-N 0 0 187.268 1.755 10 0 ADAERN CCC(C)(C)OCC(N)=S 20515864 572225976 /nfs/dbraw/zinc/22/59/76/572225976.db2.gz DCVDLFSDMQCIAS-UHFFFAOYSA-N 0 0 161.270 1.478 10 0 ADAERN CCc1c(CC(C)C)nc[nH]c1=O 234113627 572225972 /nfs/dbraw/zinc/22/59/72/572225972.db2.gz PJBKEFAAVOBVRF-UHFFFAOYSA-N 0 0 180.251 1.531 10 0 ADAERN CCOC[C@@H](C)OC(=O)CC 113138043 572225979 /nfs/dbraw/zinc/22/59/79/572225979.db2.gz ODDDCGGSPAPBOS-SSDOTTSWSA-N 0 0 160.213 1.365 10 0 ADAERN CCSCc1noc([C@H](C)O)n1 83486302 572225983 /nfs/dbraw/zinc/22/59/83/572225983.db2.gz HSCBSPUHFCETRB-YFKPBYRVSA-N 0 0 188.252 1.376 10 0 ADAERN CCCSCC(=O)c1cnccn1 83486786 572225991 /nfs/dbraw/zinc/22/59/91/572225991.db2.gz WNLYUSDWYYCVRT-UHFFFAOYSA-N 0 0 196.275 1.803 10 0 ADAERN CC(C)SCC(=O)c1cncnc1 83488464 572225994 /nfs/dbraw/zinc/22/59/94/572225994.db2.gz AKNQMUFMVGZDPY-UHFFFAOYSA-N 0 0 196.275 1.801 10 0 ADAERN CCCSCc1ncc(CO)cn1 83488021 572226000 /nfs/dbraw/zinc/22/60/00/572226000.db2.gz SZODMBIRAFNZPW-UHFFFAOYSA-N 0 0 198.291 1.612 10 0 ADAERN CC(C)SCC(=O)c1ccnn1C 83488558 572226008 /nfs/dbraw/zinc/22/60/08/572226008.db2.gz LXCBOULQVATZFT-UHFFFAOYSA-N 0 0 198.291 1.744 10 0 ADAERN CCCSC[C@H](O)c1cncnc1 83486825 572226032 /nfs/dbraw/zinc/22/60/32/572226032.db2.gz AXMNGKKSBFONTR-VIFPVBQESA-N 0 0 198.291 1.653 10 0 ADAERN CCSCc1noc(NC2CC2)n1 83486151 572226034 /nfs/dbraw/zinc/22/60/34/572226034.db2.gz VQHJJILICBITJG-UHFFFAOYSA-N 0 0 199.279 1.897 10 0 ADAERN CCCSC[C@H](O)c1cnccn1 83487049 572226050 /nfs/dbraw/zinc/22/60/50/572226050.db2.gz RBWDKFRSMVVNRY-VIFPVBQESA-N 0 0 198.291 1.653 10 0 ADAERN CCC[C@@H](O)[C@@H](O)CC(C)C 113143117 572226062 /nfs/dbraw/zinc/22/60/62/572226062.db2.gz QXCZZCQFVNJIJS-BDAKNGLRSA-N 0 0 160.257 1.554 10 0 ADAERN CCC(C)(C)NC(=O)c1cc(N)c[nH]1 36860808 572226069 /nfs/dbraw/zinc/22/60/69/572226069.db2.gz CZYYSWGLXNWWPN-UHFFFAOYSA-N 0 0 195.266 1.515 10 0 ADAERN CCSC[C@@H](O)c1cnn(C)c1 83484854 572226097 /nfs/dbraw/zinc/22/60/97/572226097.db2.gz IFKZFAJORCTCST-MRVPVSSYSA-N 0 0 186.280 1.207 10 0 ADAERN Cc1cc(C[NH+](C)C)oc1C(=O)[O-] 36812816 572226117 /nfs/dbraw/zinc/22/61/17/572226117.db2.gz JNEMMBFBFOCIHM-UHFFFAOYSA-N 0 0 183.207 1.348 10 0 ADAERN CCC1O[C@H](C)[C@@H](C)O1 39339632 572227842 /nfs/dbraw/zinc/22/78/42/572227842.db2.gz HGIAMTIGDFLIBZ-PHDIDXHHSA-N 0 0 130.187 1.546 10 0 ADAERN CCC[C@@H](O)[C@H](O)CC(C)C 113143120 572226128 /nfs/dbraw/zinc/22/61/28/572226128.db2.gz QXCZZCQFVNJIJS-RKDXNWHRSA-N 0 0 160.257 1.554 10 0 ADAERN CCSCc1ncc(CO)cn1 83486193 572226154 /nfs/dbraw/zinc/22/61/54/572226154.db2.gz VVWAERNOQYGORE-UHFFFAOYSA-N 0 0 184.264 1.222 10 0 ADAERN CC(C)SC[C@@H](O)c1cncnc1 83488580 572226176 /nfs/dbraw/zinc/22/61/76/572226176.db2.gz PXMBETATUNSWGC-SECBINFHSA-N 0 0 198.291 1.652 10 0 ADAERN CCSC[C@@H](O)c1cccnc1 83484790 572226193 /nfs/dbraw/zinc/22/61/93/572226193.db2.gz QUBQPXULCIHYIZ-SECBINFHSA-N 0 0 183.276 1.868 10 0 ADAERN CC(C)[C@@H](O)[C@H](O)Cc1ccccc1 113139153 572226215 /nfs/dbraw/zinc/22/62/15/572226215.db2.gz WBAZAOUKSLPUIC-VXGBXAGGSA-N 0 0 194.274 1.607 10 0 ADAERN CC(C)SC[C@H](O)c1cncnc1 83488579 572226243 /nfs/dbraw/zinc/22/62/43/572226243.db2.gz PXMBETATUNSWGC-VIFPVBQESA-N 0 0 198.291 1.652 10 0 ADAERN CCCSCc1nccc(N)n1 83487940 572226247 /nfs/dbraw/zinc/22/62/47/572226247.db2.gz SEIKDURVBPBKNO-UHFFFAOYSA-N 0 0 183.280 1.702 10 0 ADAERN CC[C@H](C)n1cn[nH]c1=S 20583464 572226248 /nfs/dbraw/zinc/22/62/48/572226248.db2.gz KADUWACLJBDETC-YFKPBYRVSA-N 0 0 157.242 1.912 10 0 ADAERN CCCSCc1nccc(C=O)n1 83487994 572226262 /nfs/dbraw/zinc/22/62/62/572226262.db2.gz FYXNYAGKZOAPAJ-UHFFFAOYSA-N 0 0 196.275 1.932 10 0 ADAERN CCSCc1noc([C@@H](C)O)n1 83486301 572226308 /nfs/dbraw/zinc/22/63/08/572226308.db2.gz HSCBSPUHFCETRB-RXMQYKEDSA-N 0 0 188.252 1.376 10 0 ADAERN CCOC(=O)/C=C/[C@H]1CCOC1 113129806 572226309 /nfs/dbraw/zinc/22/63/09/572226309.db2.gz BACHKFAFTCVKGP-RTMURIBGSA-N 0 0 170.208 1.142 10 0 ADAERN C[C@@H]1CCC[C@H](NC(N)=S)[C@@H]1C 20586250 572226315 /nfs/dbraw/zinc/22/63/15/572226315.db2.gz KGIFCKMKYNGBIO-PRJMDXOYSA-N 0 0 186.324 1.644 10 0 ADAERN CCCSCc1nc(C=O)c[nH]1 83488181 572226329 /nfs/dbraw/zinc/22/63/29/572226329.db2.gz WNZLMOZUQGULMC-UHFFFAOYSA-N 0 0 184.264 1.865 10 0 ADAERN S=C1N=NC(C2CCC2)O1 20584083 572226332 /nfs/dbraw/zinc/22/63/32/572226332.db2.gz DVDVYTSLHAMFDW-UHFFFAOYSA-N 0 0 156.210 1.626 10 0 ADAERN Cc1cnn([C@H](C)c2ccco2)c1N 20578824 572226371 /nfs/dbraw/zinc/22/63/71/572226371.db2.gz RKHGKTAPFZNIGZ-MRVPVSSYSA-N 0 0 191.234 1.976 10 0 ADAERN CCSCc1nc(C)cc(CO)n1 83486194 572226422 /nfs/dbraw/zinc/22/64/22/572226422.db2.gz KEUWKCQKQLYEEO-UHFFFAOYSA-N 0 0 198.291 1.530 10 0 ADAERN CCCCC[C@@H]1OC=C[C@@H]1O 207418565 572226426 /nfs/dbraw/zinc/22/64/26/572226426.db2.gz UWCKJXDJKNNZIG-IUCAKERBSA-N 0 0 156.225 1.840 10 0 ADAERN CCSCc1nc(N)nc(CC)n1 83486417 572226433 /nfs/dbraw/zinc/22/64/33/572226433.db2.gz KRFDIQSWOZPJNX-UHFFFAOYSA-N 0 0 198.295 1.269 10 0 ADAERN CC(C)SCC(=O)c1nccn1C 83488434 572226436 /nfs/dbraw/zinc/22/64/36/572226436.db2.gz VLGVWDGGKKQSTE-UHFFFAOYSA-N 0 0 198.291 1.744 10 0 ADAERN Cc1nn(C)c(OC(C)(C)C)c1C=O 20517157 572226441 /nfs/dbraw/zinc/22/64/41/572226441.db2.gz NHJOFHVDXSKPBQ-UHFFFAOYSA-N 0 0 196.250 1.718 10 0 ADAERN CCCSCc1ncnc(N)n1 83488175 572226450 /nfs/dbraw/zinc/22/64/50/572226450.db2.gz ZVCHOCHEBIYVQL-UHFFFAOYSA-N 0 0 184.268 1.097 10 0 ADAERN CCSC[C@@H](O)c1cnccn1 83484926 572226455 /nfs/dbraw/zinc/22/64/55/572226455.db2.gz CVAGDVBOHHYRMI-MRVPVSSYSA-N 0 0 184.264 1.263 10 0 ADAERN CCC[C@H](O)[C@H](O)CC(C)C 113143122 572226462 /nfs/dbraw/zinc/22/64/62/572226462.db2.gz QXCZZCQFVNJIJS-DTWKUNHWSA-N 0 0 160.257 1.554 10 0 ADAERN CCSC[C@H](O)c1cnn(C)c1 83484853 572226463 /nfs/dbraw/zinc/22/64/63/572226463.db2.gz IFKZFAJORCTCST-QMMMGPOBSA-N 0 0 186.280 1.207 10 0 ADAERN CO[C@H](C)CN1CCCSC1 687797640 572226465 /nfs/dbraw/zinc/22/64/65/572226465.db2.gz XTABBHQWGQBZDF-MRVPVSSYSA-N 0 0 175.297 1.418 10 0 ADAERN CCCSCc1ncc(C=O)cn1 83487996 572226491 /nfs/dbraw/zinc/22/64/91/572226491.db2.gz TYFGHUQVNFDXFU-UHFFFAOYSA-N 0 0 196.275 1.932 10 0 ADAERN CCSCc1nccc(C=O)n1 83486156 572226580 /nfs/dbraw/zinc/22/65/80/572226580.db2.gz LDWSGSOBQIQAQN-UHFFFAOYSA-N 0 0 182.248 1.542 10 0 ADAERN Cc1cnn([C@H]2CCSC2)c1N 20579089 572226659 /nfs/dbraw/zinc/22/66/59/572226659.db2.gz DOEBERAVGNCMSA-ZETCQYMHSA-N 0 0 183.280 1.452 10 0 ADAERN CCSC[C@@H](O)C1CCOCC1 83484776 572226668 /nfs/dbraw/zinc/22/66/68/572226668.db2.gz OXFHMZHGIGKTKM-SECBINFHSA-N 0 0 190.308 1.527 10 0 ADAERN CC(C)[C@H](O)[C@H](O)Cc1ccccc1 113139154 572226669 /nfs/dbraw/zinc/22/66/69/572226669.db2.gz WBAZAOUKSLPUIC-NEPJUHHUSA-N 0 0 194.274 1.607 10 0 ADAERN CCCSCC(=O)[C@@H]1CCOC1 83486700 572226671 /nfs/dbraw/zinc/22/66/71/572226671.db2.gz BWUODOIQYDQVTB-MRVPVSSYSA-N 0 0 188.292 1.735 10 0 ADAERN CC(C)CC(=O)Nc1ccc(N)cn1 36904033 572226690 /nfs/dbraw/zinc/22/66/90/572226690.db2.gz ORJCQDSNWACPDJ-UHFFFAOYSA-N 0 0 193.250 1.648 10 0 ADAERN CCCSCc1noc(CN)n1 83486466 572226730 /nfs/dbraw/zinc/22/67/30/572226730.db2.gz BPDVGHHPYUASJL-UHFFFAOYSA-N 0 0 187.268 1.172 10 0 ADAERN CCCNC(=O)NN1CCCCC1 20514724 572226753 /nfs/dbraw/zinc/22/67/53/572226753.db2.gz HAWPKABNMZAXIS-UHFFFAOYSA-N 0 0 185.271 1.097 10 0 ADAERN C[C@H]1CCC[C@H](OCC(N)=S)C1 20515992 572226765 /nfs/dbraw/zinc/22/67/65/572226765.db2.gz IAUPQNLMSOQDDH-YUMQZZPRSA-N 0 0 187.308 1.868 10 0 ADAERN C=CC(=O)Oc1ccc(CO)cc1 113125474 572226784 /nfs/dbraw/zinc/22/67/84/572226784.db2.gz YLOBZHKTBAJESJ-UHFFFAOYSA-N 0 0 178.187 1.270 10 0 ADAERN CNCC(F)(F)C(F)F 20518387 572226791 /nfs/dbraw/zinc/22/67/91/572226791.db2.gz PYSVHYUCFMDRFM-UHFFFAOYSA-N 0 0 145.099 1.106 10 0 ADAERN CCCSCC(=O)c1cnn(C)c1 83486773 572226797 /nfs/dbraw/zinc/22/67/97/572226797.db2.gz YSUYZQLLNAZVHI-UHFFFAOYSA-N 0 0 198.291 1.746 10 0 ADAERN CCCSCc1nc(CO)c[nH]1 83488055 572226803 /nfs/dbraw/zinc/22/68/03/572226803.db2.gz MFCNLUSYFSJJSP-UHFFFAOYSA-N 0 0 186.280 1.545 10 0 ADAERN N[C@@H](c1ccc(Cl)cn1)C(F)F 687797699 572229204 /nfs/dbraw/zinc/22/92/04/572229204.db2.gz ZTMUVJLJJWQCCA-LURJTMIESA-N 0 0 192.596 2.000 10 0 ADAERN CCSCc1nc(N)cc(CC)n1 83486083 572226813 /nfs/dbraw/zinc/22/68/13/572226813.db2.gz UFKVXVBNZZHXGC-UHFFFAOYSA-N 0 0 197.307 1.874 10 0 ADAERN CCCSCc1nccc(NN)n1 83487973 572226827 /nfs/dbraw/zinc/22/68/27/572226827.db2.gz KLSLAGVAYWZEMS-UHFFFAOYSA-N 0 0 198.295 1.405 10 0 ADAERN CCCSC[C@@H](O)c1cncnc1 83486826 572226847 /nfs/dbraw/zinc/22/68/47/572226847.db2.gz AXMNGKKSBFONTR-SECBINFHSA-N 0 0 198.291 1.653 10 0 ADAERN C[C@H]1CCC[C@@H](OCC(N)=S)C1 20515986 572226886 /nfs/dbraw/zinc/22/68/86/572226886.db2.gz IAUPQNLMSOQDDH-JGVFFNPUSA-N 0 0 187.308 1.868 10 0 ADAERN CCCC[C@@H](C)C(=O)N1CCCO1 300990611 572226893 /nfs/dbraw/zinc/22/68/93/572226893.db2.gz VVKBIQONPDYJKW-SECBINFHSA-N 0 0 185.267 1.977 10 0 ADAERN Oc1ccc(OC[C@H]2CCCO2)cc1 36896722 572229212 /nfs/dbraw/zinc/22/92/12/572229212.db2.gz FTKICBSPWCQCJM-LLVKDONJSA-N 0 0 194.230 1.950 10 0 ADAERN Cc1noc(-c2cc(F)ccc2N)n1 20553044 572226900 /nfs/dbraw/zinc/22/69/00/572226900.db2.gz FTAIQJMEBYEJGG-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CCCSCc1nccc(=O)[nH]1 83486643 572226919 /nfs/dbraw/zinc/22/69/19/572226919.db2.gz BJOCCYPKDRJYFA-UHFFFAOYSA-N 0 0 184.264 1.413 10 0 ADAERN C[C@@H]1CCC[C@@H](OCC(N)=S)C1 20515983 572226938 /nfs/dbraw/zinc/22/69/38/572226938.db2.gz IAUPQNLMSOQDDH-HTQZYQBOSA-N 0 0 187.308 1.868 10 0 ADAERN c1cc(-c2nnc3cnccn23)ccn1 113143211 572226949 /nfs/dbraw/zinc/22/69/49/572226949.db2.gz VVCZAURYASEDAI-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN CCSCc1ncc(C=O)cn1 83486158 572226955 /nfs/dbraw/zinc/22/69/55/572226955.db2.gz HUHAGOXRZHONOP-UHFFFAOYSA-N 0 0 182.248 1.542 10 0 ADAERN CCSCC(=O)[C@H](C)C(=O)OC 83486048 572227021 /nfs/dbraw/zinc/22/70/21/572227021.db2.gz MLDJPBXBPXBIBU-LURJTMIESA-N 0 0 190.264 1.118 10 0 ADAERN CCCSC[C@@H](O)c1cnccn1 83487050 572227031 /nfs/dbraw/zinc/22/70/31/572227031.db2.gz RBWDKFRSMVVNRY-SECBINFHSA-N 0 0 198.291 1.653 10 0 ADAERN CC(C)=CCn1nc(C)c(CO)c1C 36868111 572227032 /nfs/dbraw/zinc/22/70/32/572227032.db2.gz JQOJMEHOEQXQOU-UHFFFAOYSA-N 0 0 194.278 1.958 10 0 ADAERN CCSC[C@H](O)C1CCOCC1 83484775 572227034 /nfs/dbraw/zinc/22/70/34/572227034.db2.gz OXFHMZHGIGKTKM-VIFPVBQESA-N 0 0 190.308 1.527 10 0 ADAERN CCCSCc1noc(C=O)n1 83488082 572227048 /nfs/dbraw/zinc/22/70/48/572227048.db2.gz KRWAYUVZUNXVMG-UHFFFAOYSA-N 0 0 186.236 1.525 10 0 ADAERN CC(C)NC(=O)NN1CCCCC1 20514801 572227052 /nfs/dbraw/zinc/22/70/52/572227052.db2.gz YYCRZLFBGWOIHV-UHFFFAOYSA-N 0 0 185.271 1.095 10 0 ADAERN CCN1C(=O)[C@H](C)CC1(C)C 687797618 572227083 /nfs/dbraw/zinc/22/70/83/572227083.db2.gz FNVWFMMMOMHSCU-SSDOTTSWSA-N 0 0 155.241 1.653 10 0 ADAERN CC(C)SCc1noc(CN)n1 83488222 572227087 /nfs/dbraw/zinc/22/70/87/572227087.db2.gz AUCYZEWJYNLSRM-UHFFFAOYSA-N 0 0 187.268 1.170 10 0 ADAERN CC(C)SCC(=O)c1cnccn1 83488540 572227138 /nfs/dbraw/zinc/22/71/38/572227138.db2.gz FXFSFAXCFYQTIE-UHFFFAOYSA-N 0 0 196.275 1.801 10 0 ADAERN Cc1ccc(N)c(-c2nc(C)no2)c1 20566879 572227140 /nfs/dbraw/zinc/22/71/40/572227140.db2.gz NQPFAGJYLYUDAE-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC(C)Cn1cn[nH]c1=S 20583517 572227151 /nfs/dbraw/zinc/22/71/51/572227151.db2.gz VHZYWMDGYAAHTG-UHFFFAOYSA-N 0 0 157.242 1.597 10 0 ADAERN CO[C@@H](C)CN1CCCSC1 687797641 572227247 /nfs/dbraw/zinc/22/72/47/572227247.db2.gz XTABBHQWGQBZDF-QMMMGPOBSA-N 0 0 175.297 1.418 10 0 ADAERN CC(C)SCC(=O)c1cnn(C)c1 83488527 572227250 /nfs/dbraw/zinc/22/72/50/572227250.db2.gz HIHXWOMRCXBZPF-UHFFFAOYSA-N 0 0 198.291 1.744 10 0 ADAERN CCCSCc1noc(CO)n1 83488116 572227256 /nfs/dbraw/zinc/22/72/56/572227256.db2.gz PCETWNSDNVKILU-UHFFFAOYSA-N 0 0 188.252 1.205 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H](O)[C@H](C)CC 113142928 572227287 /nfs/dbraw/zinc/22/72/87/572227287.db2.gz AKDWHHKNOGULDP-JXUBOQSCSA-N 0 0 174.284 1.800 10 0 ADAERN Nc1cc(N2CCC2)ccc1F 687797746 572227292 /nfs/dbraw/zinc/22/72/92/572227292.db2.gz NNMQFOFDQFMBNF-UHFFFAOYSA-N 0 0 166.199 1.618 10 0 ADAERN CC(C)CCn1cn[nH]c1=S 20583125 572227293 /nfs/dbraw/zinc/22/72/93/572227293.db2.gz OGUZUFFHDVOMKK-UHFFFAOYSA-N 0 0 171.269 1.987 10 0 ADAERN C[C@@H]1CCC[C@@H](NC(N)=S)[C@@H]1C 20586248 572227317 /nfs/dbraw/zinc/22/73/17/572227317.db2.gz KGIFCKMKYNGBIO-BWZBUEFSSA-N 0 0 186.324 1.644 10 0 ADAERN COc1ccc(/C=C\CO)cc1N 113654132 572227331 /nfs/dbraw/zinc/22/73/31/572227331.db2.gz LQICCOKQYGVLPL-IHWYPQMZSA-N 0 0 179.219 1.283 10 0 ADAERN CC(C)SCc1ncc(C=O)cn1 83489747 572229232 /nfs/dbraw/zinc/22/92/32/572229232.db2.gz ZYSIKDMHBNMNJY-UHFFFAOYSA-N 0 0 196.275 1.931 10 0 ADAERN N[C@H](c1ccc(Cl)cn1)C(F)F 687797700 572227365 /nfs/dbraw/zinc/22/73/65/572227365.db2.gz ZTMUVJLJJWQCCA-ZCFIWIBFSA-N 0 0 192.596 2.000 10 0 ADAERN CCC[C@H](C)O[C@H](C)[C@H](C)O 687797477 572227372 /nfs/dbraw/zinc/22/73/72/572227372.db2.gz LJSLDMAEIPXWFP-XHNCKOQMSA-N 0 0 160.257 1.961 10 0 ADAERN Oc1ccc(OC[C@@H]2CCCO2)cc1 36896721 572227400 /nfs/dbraw/zinc/22/74/00/572227400.db2.gz FTKICBSPWCQCJM-NSHDSACASA-N 0 0 194.230 1.950 10 0 ADAERN CCOc1cc(C(N)=S)ccc1O 36893204 572227413 /nfs/dbraw/zinc/22/74/13/572227413.db2.gz NDARQXGMKUEJQC-UHFFFAOYSA-N 0 0 197.259 1.425 10 0 ADAERN C[C@@H](NCc1cccnn1)C(F)F 235203047 572229241 /nfs/dbraw/zinc/22/92/41/572229241.db2.gz XATQPYNPSQMZSU-ZCFIWIBFSA-N 0 0 187.193 1.220 10 0 ADAERN COC(C)(C)CN1C(=O)C[C@@H](C)[C@@H]1C 687713091 572227529 /nfs/dbraw/zinc/22/75/29/572227529.db2.gz BIDPFMINJKNPMZ-BDAKNGLRSA-N 0 0 199.294 1.668 10 0 ADAERN Cc1noc(CN2CCCSC2)n1 687713362 572227556 /nfs/dbraw/zinc/22/75/56/572227556.db2.gz LQRPTOKGLGUDBR-UHFFFAOYSA-N 0 0 199.279 1.274 10 0 ADAERN CC(C)CSCc1nccc(=O)[nH]1 83491294 572227582 /nfs/dbraw/zinc/22/75/82/572227582.db2.gz HZMZCUOEMGGOIL-UHFFFAOYSA-N 0 0 198.291 1.659 10 0 ADAERN C[C@@H]1CC[C@@H](n2cnc(CO)c2)CO1 402389552 572229251 /nfs/dbraw/zinc/22/92/51/572229251.db2.gz SDLZARTUZCYXTK-PSASIEDQSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@@H]([NH2+][C@H](C(=O)[O-])C1CC1)C(C)(C)C 235201952 572227753 /nfs/dbraw/zinc/22/77/53/572227753.db2.gz SWNIGJNIRISFKE-APPZFPTMSA-N 0 0 199.294 1.874 10 0 ADAERN CSCC(=O)CC[C@H]1CCCO1 83523945 572227760 /nfs/dbraw/zinc/22/77/60/572227760.db2.gz DXPQLQXIOUWDIK-SECBINFHSA-N 0 0 188.292 1.878 10 0 ADAERN CCc1n[nH]c(CC[C@@H]2CCCO2)n1 83524060 572227826 /nfs/dbraw/zinc/22/78/26/572227826.db2.gz UZWAEELULDQYJJ-QMMMGPOBSA-N 0 0 195.266 1.479 10 0 ADAERN CCOCCN1C(=O)C[C@@H](C)[C@H]1C 687713345 572227867 /nfs/dbraw/zinc/22/78/67/572227867.db2.gz ZQPNKFPIFHIFNA-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN OCCc1ncnc2sccc12 687822544 572227910 /nfs/dbraw/zinc/22/79/10/572227910.db2.gz DBGBYALDRAWLMF-UHFFFAOYSA-N 0 0 180.232 1.226 10 0 ADAERN O=C(Cc1ncc[nH]1)C[C@H]1CCCO1 83522857 572227920 /nfs/dbraw/zinc/22/79/20/572227920.db2.gz XPIUHBQVUTWLSL-SECBINFHSA-N 0 0 194.234 1.090 10 0 ADAERN C[C@]1(C(=O)C(F)F)CCCCO1 687797718 572227924 /nfs/dbraw/zinc/22/79/24/572227924.db2.gz RJNYBISHFZPMOK-MRVPVSSYSA-N 0 0 178.178 1.780 10 0 ADAERN C1CO[C@H](CN2CCSC2)C1 687797663 572227928 /nfs/dbraw/zinc/22/79/28/572227928.db2.gz RTXYGYWUAQBJHC-QMMMGPOBSA-N 0 0 173.281 1.172 10 0 ADAERN CCOCCC[C@H](O)Cn1ccnc1 689449708 572227950 /nfs/dbraw/zinc/22/79/50/572227950.db2.gz SKXUMFYYAPYSES-JTQLQIEISA-N 0 0 198.266 1.061 10 0 ADAERN CC(C)SCc1ncc(CO)cn1 83489772 572227967 /nfs/dbraw/zinc/22/79/67/572227967.db2.gz ACZXTBVQISIVGX-UHFFFAOYSA-N 0 0 198.291 1.611 10 0 ADAERN Cc1n[nH]c(C)c1NCc1cc[nH]n1 36900364 572227972 /nfs/dbraw/zinc/22/79/72/572227972.db2.gz NVQRFOCFQQPWEF-UHFFFAOYSA-N 0 0 191.238 1.362 10 0 ADAERN CC(C)CSCc1ncc(N)cn1 83491282 572227974 /nfs/dbraw/zinc/22/79/74/572227974.db2.gz WVYFFKGYYMVJAV-UHFFFAOYSA-N 0 0 197.307 1.948 10 0 ADAERN CCCOCCN1CCSC1 687797466 572227996 /nfs/dbraw/zinc/22/79/96/572227996.db2.gz JOJVPYYMIPODBG-UHFFFAOYSA-N 0 0 175.297 1.419 10 0 ADAERN FC1CC2(C1)CN(CC(F)(F)F)C2 687713363 572228007 /nfs/dbraw/zinc/22/80/07/572228007.db2.gz MJBMQVVHURLOBH-UHFFFAOYSA-N 0 0 197.175 1.983 10 0 ADAERN c1cc2n(n1)CCCN2CC1CC1 687713359 572228025 /nfs/dbraw/zinc/22/80/25/572228025.db2.gz HIAYEPSXYKELCJ-UHFFFAOYSA-N 0 0 177.251 1.503 10 0 ADAERN O=C(Cc1ncc[nH]1)C[C@@H]1CCCO1 83522855 572228066 /nfs/dbraw/zinc/22/80/66/572228066.db2.gz XPIUHBQVUTWLSL-VIFPVBQESA-N 0 0 194.234 1.090 10 0 ADAERN CCC[C@H](C)O[C@@H](C)[C@H](C)O 687797476 572228108 /nfs/dbraw/zinc/22/81/08/572228108.db2.gz LJSLDMAEIPXWFP-CIUDSAMLSA-N 0 0 160.257 1.961 10 0 ADAERN CCCc1nnc(C[C@@H]2CCCO2)[nH]1 83524074 572228139 /nfs/dbraw/zinc/22/81/39/572228139.db2.gz ZPCQBPKVQLOBQX-QMMMGPOBSA-N 0 0 195.266 1.479 10 0 ADAERN CCN1C(=O)[C@@H](C)CC1(C)C 687797619 572228178 /nfs/dbraw/zinc/22/81/78/572228178.db2.gz FNVWFMMMOMHSCU-ZETCQYMHSA-N 0 0 155.241 1.653 10 0 ADAERN CC(C)C(C)(C)Cn1cccnc1=O 713236143 572228187 /nfs/dbraw/zinc/22/81/87/572228187.db2.gz NFCAYMSPDJWNDA-UHFFFAOYSA-N 0 0 194.278 1.926 10 0 ADAERN OCc1ncnc2sccc12 687822548 572228190 /nfs/dbraw/zinc/22/81/90/572228190.db2.gz VSKIZIXFGDMREP-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN C[C@@]1(C(=O)C(F)F)CCCCO1 687797719 572228192 /nfs/dbraw/zinc/22/81/92/572228192.db2.gz RJNYBISHFZPMOK-QMMMGPOBSA-N 0 0 178.178 1.780 10 0 ADAERN COC[C@H](O)CCC[C@H]1CCCO1 83529235 572230267 /nfs/dbraw/zinc/23/02/67/572230267.db2.gz DEFZYQOMTVYTTM-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN COC[C@](C)(O)CC[C@@H]1CCCO1 83528387 572230480 /nfs/dbraw/zinc/23/04/80/572230480.db2.gz SJCISJNAASXTAJ-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN O=C(c1ccc(F)cn1)C(F)F 687797738 572228236 /nfs/dbraw/zinc/22/82/36/572228236.db2.gz IUVFVZWSLJDNCN-UHFFFAOYSA-N 0 0 175.109 1.669 10 0 ADAERN CC[C@@H]1C[C@@H]1[C@H](NN)[C@@H]1CCCOC1 687797611 572228287 /nfs/dbraw/zinc/22/82/87/572228287.db2.gz JKZGVMQIGZHTLI-CHWFTXMASA-N 0 0 198.310 1.291 10 0 ADAERN Cc1noc(C)c1-c1ncc(N)cn1 36895529 572228315 /nfs/dbraw/zinc/22/83/15/572228315.db2.gz CXYPANPZEPZOAD-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN COC(C)(C)CN1C(=O)C[C@H](C)[C@@H]1C 687713093 572228317 /nfs/dbraw/zinc/22/83/17/572228317.db2.gz BIDPFMINJKNPMZ-IUCAKERBSA-N 0 0 199.294 1.668 10 0 ADAERN C1NCc2oc(C3CC3)nc21 20649190 572228397 /nfs/dbraw/zinc/22/83/97/572228397.db2.gz PFAZYVFDEWSWSR-UHFFFAOYSA-N 0 0 150.181 1.155 10 0 ADAERN CSCCC(=O)C[C@H]1CCCO1 83523939 572228405 /nfs/dbraw/zinc/22/84/05/572228405.db2.gz UWUSCKGMUPGRHO-SECBINFHSA-N 0 0 188.292 1.878 10 0 ADAERN CCCOCc1ncc(C)c(N)n1 300991198 572228460 /nfs/dbraw/zinc/22/84/60/572228460.db2.gz VWRUSJNSAWNNTR-UHFFFAOYSA-N 0 0 181.239 1.294 10 0 ADAERN CC[C@@H]1C[C@@H]1[C@@H](NN)[C@@H]1CCCOC1 687797614 572228471 /nfs/dbraw/zinc/22/84/71/572228471.db2.gz JKZGVMQIGZHTLI-ZNSHCXBVSA-N 0 0 198.310 1.291 10 0 ADAERN CSCCC(=O)C[C@@H]1CCCO1 83523938 572228485 /nfs/dbraw/zinc/22/84/85/572228485.db2.gz UWUSCKGMUPGRHO-VIFPVBQESA-N 0 0 188.292 1.878 10 0 ADAERN CC[C@@H]1C[C@H]1[C@@H](NN)[C@@H]1CCCOC1 687797536 572228556 /nfs/dbraw/zinc/22/85/56/572228556.db2.gz JKZGVMQIGZHTLI-DBIOUOCHSA-N 0 0 198.310 1.291 10 0 ADAERN Cc1n[nH]c(=S)n1CC1CC1 20588621 572228561 /nfs/dbraw/zinc/22/85/61/572228561.db2.gz NBBLFFFJHDWHGF-UHFFFAOYSA-N 0 0 169.253 1.659 10 0 ADAERN CC(C)[C@H](C[C@H]1C[C@H]1C1CC1)NN 712961023 572228599 /nfs/dbraw/zinc/22/85/99/572228599.db2.gz JBFJNPRSTLYLQL-VWYCJHECSA-N 0 0 182.311 1.911 10 0 ADAERN Cc1nc(CN2CCCSC2)no1 687713364 572228646 /nfs/dbraw/zinc/22/86/46/572228646.db2.gz REWFVGNHXFYVKH-UHFFFAOYSA-N 0 0 199.279 1.274 10 0 ADAERN CC(C)SCc1nc(CO)c[nH]1 83489806 572228649 /nfs/dbraw/zinc/22/86/49/572228649.db2.gz HJYNGFNTDZWCKQ-UHFFFAOYSA-N 0 0 186.280 1.544 10 0 ADAERN CC(C)(C)OC(=O)C[C@@H]1CCCO1 83524214 572228663 /nfs/dbraw/zinc/22/86/63/572228663.db2.gz DOXYVPLNGVCWQN-QMMMGPOBSA-N 0 0 186.251 1.897 10 0 ADAERN CCCC[C@H](C)C(=O)N1CCCO1 300990612 572228701 /nfs/dbraw/zinc/22/87/01/572228701.db2.gz VVKBIQONPDYJKW-VIFPVBQESA-N 0 0 185.267 1.977 10 0 ADAERN C1CO[C@@H](CN2CCSC2)C1 687797662 572228759 /nfs/dbraw/zinc/22/87/59/572228759.db2.gz RTXYGYWUAQBJHC-MRVPVSSYSA-N 0 0 173.281 1.172 10 0 ADAERN Cc1cc(Cc2ccncc2)ncc1N 300994885 572230482 /nfs/dbraw/zinc/23/04/82/572230482.db2.gz WCJWHGDJKIXXMZ-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN CC[C@@H]1C[C@H]1[C@H](NN)[C@H]1CCCOC1 687797538 572228803 /nfs/dbraw/zinc/22/88/03/572228803.db2.gz JKZGVMQIGZHTLI-LMLFDSFASA-N 0 0 198.310 1.291 10 0 ADAERN S=c1cc(Cl)nc[nH]1 36906423 572228872 /nfs/dbraw/zinc/22/88/72/572228872.db2.gz JGECHNPBIXXQEQ-UHFFFAOYSA-N 0 0 146.602 1.419 10 0 ADAERN CC[C@@H]1C[C@@H]1[C@H](NN)[C@H]1CCCOC1 687797613 572228890 /nfs/dbraw/zinc/22/88/90/572228890.db2.gz JKZGVMQIGZHTLI-VPOLOUISSA-N 0 0 198.310 1.291 10 0 ADAERN CN(c1ccnn1C)C1CCCC1 687713404 572228964 /nfs/dbraw/zinc/22/89/64/572228964.db2.gz MCRBPXXAFXSUJE-UHFFFAOYSA-N 0 0 179.267 1.799 10 0 ADAERN O=c1ccnc(-c2ccc(O)cc2)[nH]1 36882155 572229008 /nfs/dbraw/zinc/22/90/08/572229008.db2.gz NQWOBTFCVUGBOX-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN CC(C)(C)OC(=O)C[C@H]1CCCO1 83524215 572229010 /nfs/dbraw/zinc/22/90/10/572229010.db2.gz DOXYVPLNGVCWQN-MRVPVSSYSA-N 0 0 186.251 1.897 10 0 ADAERN COC(C)(C)CN1C(=O)C[C@@H](C)[C@H]1C 687713094 572229047 /nfs/dbraw/zinc/22/90/47/572229047.db2.gz BIDPFMINJKNPMZ-RKDXNWHRSA-N 0 0 199.294 1.668 10 0 ADAERN Oc1ccccc1OCc1ncon1 36896813 572229050 /nfs/dbraw/zinc/22/90/50/572229050.db2.gz RUEJMRZHWGBRLZ-UHFFFAOYSA-N 0 0 192.174 1.354 10 0 ADAERN CC[C@@H]1C[C@H]1[C@@H](NN)[C@H]1CCCOC1 687797539 572229070 /nfs/dbraw/zinc/22/90/70/572229070.db2.gz JKZGVMQIGZHTLI-YTWAJWBKSA-N 0 0 198.310 1.291 10 0 ADAERN CCOCCCN1CCSC1 687797503 572229148 /nfs/dbraw/zinc/22/91/48/572229148.db2.gz QAXSCCQFYJWZKX-UHFFFAOYSA-N 0 0 175.297 1.419 10 0 ADAERN CSCCN1CCCn2ccnc21 687713346 572229194 /nfs/dbraw/zinc/22/91/94/572229194.db2.gz ZSTQYSOTCMEDJB-UHFFFAOYSA-N 0 0 197.307 1.456 10 0 ADAERN CC(C)SCc1noc(C=O)n1 83489833 572229170 /nfs/dbraw/zinc/22/91/70/572229170.db2.gz UAOPDECDFQVOSE-UHFFFAOYSA-N 0 0 186.236 1.524 10 0 ADAERN CCOCCN1C(=O)C[C@@H](C)[C@@H]1C 687713342 572229292 /nfs/dbraw/zinc/22/92/92/572229292.db2.gz ZQPNKFPIFHIFNA-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN CC(C)[C@H](C[C@H]1C[C@@H]1C1CC1)NN 712961016 572229306 /nfs/dbraw/zinc/22/93/06/572229306.db2.gz JBFJNPRSTLYLQL-MXWKQRLJSA-N 0 0 182.311 1.911 10 0 ADAERN CCC/C=C\N 113185265 572230494 /nfs/dbraw/zinc/23/04/94/572230494.db2.gz FSEKYSAWZRQAPN-PLNGDYQASA-N 0 0 85.150 1.259 10 0 ADAERN CC[C@@H]1C[C@@H]1[C@@H](NN)[C@H]1CCCOC1 687797612 572229319 /nfs/dbraw/zinc/22/93/19/572229319.db2.gz JKZGVMQIGZHTLI-RCWTZXSCSA-N 0 0 198.310 1.291 10 0 ADAERN CSCC(=O)CC[C@@H]1CCCO1 83523944 572229324 /nfs/dbraw/zinc/22/93/24/572229324.db2.gz DXPQLQXIOUWDIK-VIFPVBQESA-N 0 0 188.292 1.878 10 0 ADAERN CC(C)SCc1nccc(C=O)n1 83489745 572229390 /nfs/dbraw/zinc/22/93/90/572229390.db2.gz YVILNXVEHIYCBJ-UHFFFAOYSA-N 0 0 196.275 1.931 10 0 ADAERN CCCC1N=NC(=S)N1CC1CC1 20588617 572229419 /nfs/dbraw/zinc/22/94/19/572229419.db2.gz XJUWURVXXUQNSX-UHFFFAOYSA-N 0 0 197.307 1.929 10 0 ADAERN CCOCCN1C(=O)C[C@H](C)[C@@H]1C 687713344 572229435 /nfs/dbraw/zinc/22/94/35/572229435.db2.gz ZQPNKFPIFHIFNA-IUCAKERBSA-N 0 0 185.267 1.280 10 0 ADAERN COC(C)(C)CN1C(=O)C[C@H](C)[C@H]1C 687713092 572229456 /nfs/dbraw/zinc/22/94/56/572229456.db2.gz BIDPFMINJKNPMZ-DTWKUNHWSA-N 0 0 199.294 1.668 10 0 ADAERN CC1(C)CC(=O)N1CCCCCO 687713551 572230509 /nfs/dbraw/zinc/23/05/09/572230509.db2.gz WRHUESLTASVMED-UHFFFAOYSA-N 0 0 185.267 1.160 10 0 ADAERN CC(C)CN1CCCn2ncnc21 687713369 572229533 /nfs/dbraw/zinc/22/95/33/572229533.db2.gz TVRFVGDKTVPKCD-UHFFFAOYSA-N 0 0 180.255 1.144 10 0 ADAERN CC[C@@H]1C[C@H]1[C@H](NN)[C@@H]1CCCOC1 687797537 572229571 /nfs/dbraw/zinc/22/95/71/572229571.db2.gz JKZGVMQIGZHTLI-GWOFURMSSA-N 0 0 198.310 1.291 10 0 ADAERN C[C@@H]([NH2+][C@H](C(=O)[O-])C1CC1)C1CCC1 235201998 572229575 /nfs/dbraw/zinc/22/95/75/572229575.db2.gz QSCWJEXMJYOGNP-XCBNKYQSSA-N 0 0 197.278 1.628 10 0 ADAERN CCOCCC[C@@H](O)Cn1ccnc1 689449710 572229576 /nfs/dbraw/zinc/22/95/76/572229576.db2.gz SKXUMFYYAPYSES-SNVBAGLBSA-N 0 0 198.266 1.061 10 0 ADAERN CCOCCN1C(=O)C[C@H](C)[C@H]1C 687713343 572229610 /nfs/dbraw/zinc/22/96/10/572229610.db2.gz ZQPNKFPIFHIFNA-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN CCCc1nnc(C[C@H]2CCCO2)[nH]1 83524075 572229622 /nfs/dbraw/zinc/22/96/22/572229622.db2.gz ZPCQBPKVQLOBQX-MRVPVSSYSA-N 0 0 195.266 1.479 10 0 ADAERN OCCCCCN1CCSC1 687797504 572229635 /nfs/dbraw/zinc/22/96/35/572229635.db2.gz SGMAIQVZNFSWPX-UHFFFAOYSA-N 0 0 175.297 1.155 10 0 ADAERN CC[C@@H](CCOCCOC)[C@H](C)O 70482846 572229732 /nfs/dbraw/zinc/22/97/32/572229732.db2.gz JCEAKWPMIQLOPC-UWVGGRQHSA-N 0 0 190.283 1.447 10 0 ADAERN CCc1n[nH]c(CC[C@H]2CCCO2)n1 83524061 572229747 /nfs/dbraw/zinc/22/97/47/572229747.db2.gz UZWAEELULDQYJJ-MRVPVSSYSA-N 0 0 195.266 1.479 10 0 ADAERN CC(C)SCc1noc(CO)n1 83489867 572229757 /nfs/dbraw/zinc/22/97/57/572229757.db2.gz ZNJJLNLQXOLIER-UHFFFAOYSA-N 0 0 188.252 1.204 10 0 ADAERN CCOCC[C@@H](O)[C@@H](C)OCC 687797779 572229774 /nfs/dbraw/zinc/22/97/74/572229774.db2.gz ARVUJFQMHHAEFI-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN CCc1n[nH]c(=S)n1CC1CC1 20588620 572229776 /nfs/dbraw/zinc/22/97/76/572229776.db2.gz JFBQPEVGIVGDCG-UHFFFAOYSA-N 0 0 183.280 1.913 10 0 ADAERN Cc1n[nH]c(=S)n1Cc1ccco1 20590035 572229785 /nfs/dbraw/zinc/22/97/85/572229785.db2.gz QBTCDHQRVRTWIS-UHFFFAOYSA-N 0 0 195.247 1.890 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1ncc[nH]1 36946672 572229795 /nfs/dbraw/zinc/22/97/95/572229795.db2.gz XVNUOSFMSXTBNH-NKWVEPMBSA-N 0 0 164.208 1.177 10 0 ADAERN CC(C)SCc1nc(C=O)c[nH]1 83489932 572229807 /nfs/dbraw/zinc/22/98/07/572229807.db2.gz CMJMDTUFJXESHH-UHFFFAOYSA-N 0 0 184.264 1.864 10 0 ADAERN CCOCC[C@@H](O)[C@H](C)OCC 687797777 572229959 /nfs/dbraw/zinc/22/99/59/572229959.db2.gz ARVUJFQMHHAEFI-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)C[C@H]1CCCO1 687797850 572229997 /nfs/dbraw/zinc/22/99/97/572229997.db2.gz ANLIKDZTLDODDI-DOLQZWNJSA-N 0 0 170.252 1.572 10 0 ADAERN COCc1nc(C(F)F)c(CO)o1 401043055 572230017 /nfs/dbraw/zinc/23/00/17/572230017.db2.gz USFRGDMSLODLOM-UHFFFAOYSA-N 0 0 193.149 1.251 10 0 ADAERN CC[C@H](C)C(=O)c1cnn(C)c1 36944393 572230037 /nfs/dbraw/zinc/23/00/37/572230037.db2.gz IRORRUATCUESNJ-ZETCQYMHSA-N 0 0 166.224 1.649 10 0 ADAERN CCCC(=O)Cc1ncc[nH]1 36946621 572230038 /nfs/dbraw/zinc/23/00/38/572230038.db2.gz MPRYPTWPQAZWJX-UHFFFAOYSA-N 0 0 152.197 1.321 10 0 ADAERN Nc1ccc(F)c(N2CCC2)c1 687797825 572230044 /nfs/dbraw/zinc/23/00/44/572230044.db2.gz ASXCGBHDHXOKAS-UHFFFAOYSA-N 0 0 166.199 1.618 10 0 ADAERN CN[C@@H](c1cncs1)C(F)(F)F 687797801 572230052 /nfs/dbraw/zinc/23/00/52/572230052.db2.gz MUTJRLMQSUBXJC-YFKPBYRVSA-N 0 0 196.197 1.966 10 0 ADAERN CC/C=C\C(=O)NC[C@H](C)SC 393366688 572230067 /nfs/dbraw/zinc/23/00/67/572230067.db2.gz FULIDMTWBKEMFW-SLGIHZDVSA-N 0 0 187.308 1.820 10 0 ADAERN COC[C@H](C)[C@@]1(O)CCC[C@H]1C 687797845 572230071 /nfs/dbraw/zinc/23/00/71/572230071.db2.gz FTXXPVOWFCKQQG-KXUCPTDWSA-N 0 0 172.268 1.820 10 0 ADAERN COC[C@H](C)[C@]1(O)CCC[C@H]1C 687797847 572230072 /nfs/dbraw/zinc/23/00/72/572230072.db2.gz FTXXPVOWFCKQQG-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)[C@H](Nc1cc[nH+]cc1)C(=O)[O-] 36978541 572230074 /nfs/dbraw/zinc/23/00/74/572230074.db2.gz FWKYTYRXGRKWJO-VIFPVBQESA-N 0 0 194.234 1.603 10 0 ADAERN COCCN1C(=O)[C@H]2CCCC[C@H]21 687713560 572230084 /nfs/dbraw/zinc/23/00/84/572230084.db2.gz 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572231125 /nfs/dbraw/zinc/23/11/25/572231125.db2.gz JCEAKWPMIQLOPC-VHSXEESVSA-N 0 0 190.283 1.447 10 0 ADAERN Cc1nnc(CN2CCCSC2)o1 687713629 572231047 /nfs/dbraw/zinc/23/10/47/572231047.db2.gz HJUZYYKXBCDDDC-UHFFFAOYSA-N 0 0 199.279 1.274 10 0 ADAERN COC[C@@H](O)CCC[C@H]1CCCO1 83529236 572231129 /nfs/dbraw/zinc/23/11/29/572231129.db2.gz DEFZYQOMTVYTTM-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN Cc1ccnc([C@H](O)C(F)F)c1 687797824 572231139 /nfs/dbraw/zinc/23/11/39/572231139.db2.gz KXPOTWPPWMQSKR-ZETCQYMHSA-N 0 0 173.162 1.689 10 0 ADAERN COCC[C@H](O)CC[C@H]1CCCO1 83529231 572231177 /nfs/dbraw/zinc/23/11/77/572231177.db2.gz STPWDCTYKKNAMO-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@@H](C)CC(C)C 300995075 572231186 /nfs/dbraw/zinc/23/11/86/572231186.db2.gz WFKDVHMZYJLNAH-DTWKUNHWSA-N 0 0 187.283 1.731 10 0 ADAERN CCc1nnc(CN2CCSC2)o1 687713501 572231194 /nfs/dbraw/zinc/23/11/94/572231194.db2.gz LIPGGFSBNVEGOM-UHFFFAOYSA-N 0 0 199.279 1.138 10 0 ADAERN 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AEEZFBAXEHQDLA-SNVBAGLBSA-N 0 0 179.219 1.667 10 0 ADAERN C=Cc1nc(COCCC)no1 70581042 572234240 /nfs/dbraw/zinc/23/42/40/572234240.db2.gz BVLMDMUGJSOOET-UHFFFAOYSA-N 0 0 168.196 1.639 10 0 ADAERN CN[C@@H](C1=CCCCC1)c1nc[nH]n1 234422405 572234248 /nfs/dbraw/zinc/23/42/48/572234248.db2.gz YBQGMXRFYZCEFU-VIFPVBQESA-N 0 0 192.266 1.566 10 0 ADAERN Cc1cn([C@H]2CCO[C@@H]2C)c(N)[nH+]1 235691332 572234251 /nfs/dbraw/zinc/23/42/51/572234251.db2.gz MFEYSFYMXPACTD-SFYZADRCSA-N 0 0 181.239 1.124 10 0 ADAERN CC[C@@H](C)SCc1noc(N)n1 83500067 572234261 /nfs/dbraw/zinc/23/42/61/572234261.db2.gz NFKVGWFKNFPXDW-RXMQYKEDSA-N 0 0 187.268 1.684 10 0 ADAERN CC[C@H](C)SCc1nccc(=O)[nH]1 83498232 572234265 /nfs/dbraw/zinc/23/42/65/572234265.db2.gz CPBCTBKWTYHQRJ-ZETCQYMHSA-N 0 0 198.291 1.802 10 0 ADAERN C[C@H](CO)CCC[C@@H]1CCCO1 83531891 572234277 /nfs/dbraw/zinc/23/42/77/572234277.db2.gz FXXKFRYLMNXZTQ-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN O=Cc1cnn(CC[C@@H]2CCCO2)c1 83531057 572234295 /nfs/dbraw/zinc/23/42/95/572234295.db2.gz YWIVBVPKAQFIRI-JTQLQIEISA-N 0 0 194.234 1.265 10 0 ADAERN c1cn(CCC[C@H]2CCCO2)cn1 83531406 572234305 /nfs/dbraw/zinc/23/43/05/572234305.db2.gz AKWYRWANXDCHET-JTQLQIEISA-N 0 0 180.251 1.842 10 0 ADAERN CC[NH2+][C@@H](CC)c1ccncn1 70534014 572234368 /nfs/dbraw/zinc/23/43/68/572234368.db2.gz ATTAQENLYMOBJC-QMMMGPOBSA-N 0 0 165.240 1.537 10 0 ADAERN C=Cc1nc([C@H]2C[C@H]3CC[C@@H]2O3)no1 70581034 572234513 /nfs/dbraw/zinc/23/45/13/572234513.db2.gz ACVLWXGPKSLXNV-CSMHCCOUSA-N 0 0 192.218 1.748 10 0 ADAERN CC[NH2+][C@H](CC)c1ccncn1 70534015 572234539 /nfs/dbraw/zinc/23/45/39/572234539.db2.gz ATTAQENLYMOBJC-MRVPVSSYSA-N 0 0 165.240 1.537 10 0 ADAERN CC(C)CC[C@@H](O)c1cnn(C)c1 42268715 572234544 /nfs/dbraw/zinc/23/45/44/572234544.db2.gz UKDYAMRCYFAZRX-SNVBAGLBSA-N 0 0 182.267 1.890 10 0 ADAERN CCSc1ccc(N)c(OC)n1 37077966 572234569 /nfs/dbraw/zinc/23/45/69/572234569.db2.gz IITYABJCCNOLTE-UHFFFAOYSA-N 0 0 184.264 1.784 10 0 ADAERN CO[C@@H](C)C(=O)CCCOC(C)C 689409486 572234594 /nfs/dbraw/zinc/23/45/94/572234594.db2.gz VLWLJCFUIIDWDG-VIFPVBQESA-N 0 0 188.267 1.796 10 0 ADAERN CCOCCCc1cc[nH+]c(N)c1 70535490 572234614 /nfs/dbraw/zinc/23/46/14/572234614.db2.gz JJVANZJIPMDTPR-UHFFFAOYSA-N 0 0 180.251 1.633 10 0 ADAERN CC(C)CC[C@H]([NH3+])c1ccncn1 70534002 572234625 /nfs/dbraw/zinc/23/46/25/572234625.db2.gz ZQRPBXBJQAHILY-VIFPVBQESA-N 0 0 179.267 1.913 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)C(F)F 687798283 572234686 /nfs/dbraw/zinc/23/46/86/572234686.db2.gz FFJLCTKOAAIIGK-WDCZJNDASA-N 0 0 136.141 1.268 10 0 ADAERN CC[C@](C)([NH2+]CC1CCC1)C(=O)[O-] 41792375 572234659 /nfs/dbraw/zinc/23/46/59/572234659.db2.gz JKYIXSUQBAQCGD-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN OCC[C@H]1CCC2CC1C2 20837949 572234720 /nfs/dbraw/zinc/23/47/20/572234720.db2.gz FQLIDIHIUXVWLS-QJAFJHJLSA-N 0 0 140.226 1.805 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)C(F)F 687798284 572234775 /nfs/dbraw/zinc/23/47/75/572234775.db2.gz FFJLCTKOAAIIGK-WISUUJSJSA-N 0 0 136.141 1.268 10 0 ADAERN Cc1ccc(NC(C)(C)C(N)=O)cc1 37941611 572234785 /nfs/dbraw/zinc/23/47/85/572234785.db2.gz WETJFKAOQXQXFE-UHFFFAOYSA-N 0 0 192.262 1.671 10 0 ADAERN CC[C@H]1OCC[C@H]1c1nncn1C 234128549 572234808 /nfs/dbraw/zinc/23/48/08/572234808.db2.gz FSINXKLXLWBGFV-HTQZYQBOSA-N 0 0 181.239 1.098 10 0 ADAERN CCCCN(C)c1cnc(C[NH3+])cn1 70581154 572234848 /nfs/dbraw/zinc/23/48/48/572234848.db2.gz JPBLINKSORCVLM-UHFFFAOYSA-N 0 0 194.282 1.172 10 0 ADAERN C=Cc1nc([C@@H]2C[C@H]3CC[C@@H]2O3)no1 70581033 572235898 /nfs/dbraw/zinc/23/58/98/572235898.db2.gz ACVLWXGPKSLXNV-PRJMDXOYSA-N 0 0 192.218 1.748 10 0 ADAERN Cc1cc(N)cc(C)c1OCCCO 70533403 572235900 /nfs/dbraw/zinc/23/59/00/572235900.db2.gz IUZSUOODEMBICU-UHFFFAOYSA-N 0 0 195.262 1.647 10 0 ADAERN COC(C)(C)[C@H](O)COCC(F)F 300998124 572234896 /nfs/dbraw/zinc/23/48/96/572234896.db2.gz MNQNCUYIXNXVAH-ZCFIWIBFSA-N 0 0 198.209 1.054 10 0 ADAERN CC(C)CC[C@H](O)c1cnn(C)c1 42268713 572234922 /nfs/dbraw/zinc/23/49/22/572234922.db2.gz UKDYAMRCYFAZRX-JTQLQIEISA-N 0 0 182.267 1.890 10 0 ADAERN CC[C@@H](C)Nc1ccc(N)c(OC)n1 37066702 572234935 /nfs/dbraw/zinc/23/49/35/572234935.db2.gz QTOLOMBNYFDIFM-SSDOTTSWSA-N 0 0 195.266 1.883 10 0 ADAERN CC(C)CN(C)c1cnc(C[NH3+])cn1 70581179 572234959 /nfs/dbraw/zinc/23/49/59/572234959.db2.gz KGRLPNRRRWCIMB-UHFFFAOYSA-N 0 0 194.282 1.028 10 0 ADAERN CCCCN(CCO)C(=O)OCC 42249503 572235016 /nfs/dbraw/zinc/23/50/16/572235016.db2.gz VAMUBMXKZDWUKN-UHFFFAOYSA-N 0 0 189.255 1.237 10 0 ADAERN Nc1ncc(SCCCO)s1 37036226 572235060 /nfs/dbraw/zinc/23/50/60/572235060.db2.gz SUXLYYQSZRWMIY-UHFFFAOYSA-N 0 0 190.293 1.200 10 0 ADAERN CCN(c1cnc(C[NH3+])cn1)C(C)C 70581168 572235106 /nfs/dbraw/zinc/23/51/06/572235106.db2.gz OYEXUJKWWHBYFU-UHFFFAOYSA-N 0 0 194.282 1.170 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)C(F)F 687798282 572235112 /nfs/dbraw/zinc/23/51/12/572235112.db2.gz FFJLCTKOAAIIGK-UOWFLXDJSA-N 0 0 136.141 1.268 10 0 ADAERN CC1CCC(CCNC(=O)C[NH3+])CC1 70532789 572235183 /nfs/dbraw/zinc/23/51/83/572235183.db2.gz LTNPUULPQQTIIG-UHFFFAOYSA-N 0 0 198.310 1.278 10 0 ADAERN CC(C)CC[C@@H]([NH3+])c1ccncn1 70534003 572235275 /nfs/dbraw/zinc/23/52/75/572235275.db2.gz ZQRPBXBJQAHILY-SECBINFHSA-N 0 0 179.267 1.913 10 0 ADAERN CC1(C)C(=O)c2ccccc2N1O 206544136 572235350 /nfs/dbraw/zinc/23/53/50/572235350.db2.gz RSOGBGRYLGNKOH-UHFFFAOYSA-N 0 0 177.203 1.857 10 0 ADAERN COC(=O)[C@@H](C)N[C@H](C)C1(C)CC1 42304160 572235423 /nfs/dbraw/zinc/23/54/23/572235423.db2.gz RBGZXSBLGYZZGF-HTQZYQBOSA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@](C)(O)C[C@@H]1COCCC1=O 234131160 572235432 /nfs/dbraw/zinc/23/54/32/572235432.db2.gz GZMCBDQDGMHIIX-SCZZXKLOSA-N 0 0 186.251 1.143 10 0 ADAERN CC(C)COc1nc(N)ccc1N 37068032 572235483 /nfs/dbraw/zinc/23/54/83/572235483.db2.gz OMJNPZYPZCWAER-UHFFFAOYSA-N 0 0 181.239 1.281 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)C(F)F 687798281 572235501 /nfs/dbraw/zinc/23/55/01/572235501.db2.gz FFJLCTKOAAIIGK-MROZADKFSA-N 0 0 136.141 1.268 10 0 ADAERN O=C1N[C@@H]2CCC[C@H]1CC2 20930929 572235538 /nfs/dbraw/zinc/23/55/38/572235538.db2.gz UIAKXPODVRQYJO-NKWVEPMBSA-N 0 0 139.198 1.065 10 0 ADAERN CC(C)Nc1ccc(CC(N)=O)cc1 37074977 572235545 /nfs/dbraw/zinc/23/55/45/572235545.db2.gz AVEVNEQKIFFNJR-UHFFFAOYSA-N 0 0 192.262 1.535 10 0 ADAERN C[NH2+][C@@H](CC(C)C)c1ccncn1 70534008 572235577 /nfs/dbraw/zinc/23/55/77/572235577.db2.gz GWJOYUGLMKPLOQ-JTQLQIEISA-N 0 0 179.267 1.783 10 0 ADAERN CCCN(CC)c1cnc(C[NH3+])cn1 70581174 572235585 /nfs/dbraw/zinc/23/55/85/572235585.db2.gz NKDACTPIXQTWQL-UHFFFAOYSA-N 0 0 194.282 1.172 10 0 ADAERN C/C=C/C(=O)N(CCO)C1CCCC1 42513429 572235590 /nfs/dbraw/zinc/23/55/90/572235590.db2.gz XSOUGSIMMCHMSN-GORDUTHDSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@@H](NCCCCO)C(F)F 235209152 572235646 /nfs/dbraw/zinc/23/56/46/572235646.db2.gz BNNGRSBNMDUZFY-ZCFIWIBFSA-N 0 0 167.199 1.002 10 0 ADAERN CC[C@H]1C[C@H]1Nc1c(N)c(C)nn1C 234127137 572235865 /nfs/dbraw/zinc/23/58/65/572235865.db2.gz NNDFIMSUFPZVNN-JGVFFNPUSA-N 0 0 194.282 1.521 10 0 ADAERN CCSC[C@@H](O)CCOC(C)C 687714109 572235776 /nfs/dbraw/zinc/23/57/76/572235776.db2.gz DYMZXTMKQYWZQU-VIFPVBQESA-N 0 0 192.324 1.916 10 0 ADAERN COC(C)(C)[C@@H](O)COCC(F)F 300998122 572235822 /nfs/dbraw/zinc/23/58/22/572235822.db2.gz MNQNCUYIXNXVAH-LURJTMIESA-N 0 0 198.209 1.054 10 0 ADAERN C[NH2+][C@H](CC(C)C)c1ccncn1 70534009 572235846 /nfs/dbraw/zinc/23/58/46/572235846.db2.gz GWJOYUGLMKPLOQ-SNVBAGLBSA-N 0 0 179.267 1.783 10 0 ADAERN C/C=C/C(=O)N(CCO)C(CC)CC 42507023 572235942 /nfs/dbraw/zinc/23/59/42/572235942.db2.gz PMSRCZATMUULGR-QPJJXVBHSA-N 0 0 199.294 1.572 10 0 ADAERN COC(=O)[C@@H](C)N[C@@H](C)C1(C)CC1 42304157 572235977 /nfs/dbraw/zinc/23/59/77/572235977.db2.gz RBGZXSBLGYZZGF-SFYZADRCSA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@@H](C)N(C)c1cnc(C[NH3+])cn1 70581180 572235982 /nfs/dbraw/zinc/23/59/82/572235982.db2.gz UYKKZWXUXZXUQH-MRVPVSSYSA-N 0 0 194.282 1.170 10 0 ADAERN CCCCC[C@H]1CCC(=O)NC1=O 70535721 572236025 /nfs/dbraw/zinc/23/60/25/572236025.db2.gz UNHQDECNZAIVAM-QMMMGPOBSA-N 0 0 183.251 1.620 10 0 ADAERN CCC[C@H](C)N[C@H](C)C(=O)OC 42304205 572236120 /nfs/dbraw/zinc/23/61/20/572236120.db2.gz IXRZWUYQISQPBQ-JGVFFNPUSA-N 0 0 173.256 1.326 10 0 ADAERN CC[C@H]1OCC[C@H]1c1nncn1CC 234128621 572236183 /nfs/dbraw/zinc/23/61/83/572236183.db2.gz QAOSZYVYCOXKOS-RKDXNWHRSA-N 0 0 195.266 1.581 10 0 ADAERN CC1(C(=O)C(F)F)CC1 687798297 572236233 /nfs/dbraw/zinc/23/62/33/572236233.db2.gz HWPNYRFLCBYJKO-UHFFFAOYSA-N 0 0 134.125 1.621 10 0 ADAERN COC(=O)[C@@H](C)NC(C1CC1)C1CC1 42304358 572236237 /nfs/dbraw/zinc/23/62/37/572236237.db2.gz CEIGCYFPHDKARF-SSDOTTSWSA-N 0 0 197.278 1.326 10 0 ADAERN CCSC[C@H](O)CCOC(C)C 687714108 572236246 /nfs/dbraw/zinc/23/62/46/572236246.db2.gz DYMZXTMKQYWZQU-SECBINFHSA-N 0 0 192.324 1.916 10 0 ADAERN CN[C@@H](C(=O)OC)[C@@H](C)CC(C)C 300998691 572236756 /nfs/dbraw/zinc/23/67/56/572236756.db2.gz WTGKENZEJPJUPI-DTWKUNHWSA-N 0 0 187.283 1.430 10 0 ADAERN CC[C@H](O)[C@@H](C)OC(C)C 687798378 572237167 /nfs/dbraw/zinc/23/71/67/572237167.db2.gz XAGHNYQUHKCOBA-SFYZADRCSA-N 0 0 146.230 1.571 10 0 ADAERN CC[C@@H](O)[C@@H](C)OC(C)C 687798376 572237397 /nfs/dbraw/zinc/23/73/97/572237397.db2.gz XAGHNYQUHKCOBA-HTQZYQBOSA-N 0 0 146.230 1.571 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]1CC 37914349 572237400 /nfs/dbraw/zinc/23/74/00/572237400.db2.gz ZRIKTFGBOWMXCQ-BDAKNGLRSA-N 0 0 185.267 1.724 10 0 ADAERN O=Cc1nccc2oncc12 21020367 572237488 /nfs/dbraw/zinc/23/74/88/572237488.db2.gz GTDOHUHTYCFUCY-UHFFFAOYSA-N 0 0 148.121 1.035 10 0 ADAERN Nc1[nH]c(=O)nc2cc(Cl)ccc12 205084823 572237491 /nfs/dbraw/zinc/23/74/91/572237491.db2.gz TZMFUMMXGKGPCH-UHFFFAOYSA-N 0 0 195.609 1.159 10 0 ADAERN CC[C@H]1CCC[N@@H+]1[C@@H](C)CC(=O)[O-] 37914330 572237684 /nfs/dbraw/zinc/23/76/84/572237684.db2.gz LSWCEGVFBXXUHU-IUCAKERBSA-N 0 0 185.267 1.724 10 0 ADAERN CC[C@H]1CCC[N@H+]1[C@@H](CC)C(=O)[O-] 37914350 572237793 /nfs/dbraw/zinc/23/77/93/572237793.db2.gz ZRIKTFGBOWMXCQ-IUCAKERBSA-N 0 0 185.267 1.724 10 0 ADAERN COC[C@@H](O)C1CCC(OC)CC1 686328911 572238010 /nfs/dbraw/zinc/23/80/10/572238010.db2.gz GPOQKZJGCWXHFA-UDNWOFFPSA-N 0 0 188.267 1.199 10 0 ADAERN CCC[C@H]1SCC[N@@H+]1C 687798386 572238014 /nfs/dbraw/zinc/23/80/14/572238014.db2.gz CZTPDOHJLIILSY-SSDOTTSWSA-N 0 0 145.271 1.791 10 0 ADAERN CCN[C@@H](c1ncc[nH]1)C(F)F 687714225 572238350 /nfs/dbraw/zinc/23/83/50/572238350.db2.gz GGODUCWBHAVVGV-RXMQYKEDSA-N 0 0 175.182 1.325 10 0 ADAERN CC[C@@H](O)[C@H](C)OC(C)C 687798377 572238126 /nfs/dbraw/zinc/23/81/26/572238126.db2.gz XAGHNYQUHKCOBA-JGVFFNPUSA-N 0 0 146.230 1.571 10 0 ADAERN CCOC(OCC)[C@@H](O)C(F)F 687714224 572238181 /nfs/dbraw/zinc/23/81/81/572238181.db2.gz CAJLUWXTZZRQTK-YFKPBYRVSA-N 0 0 184.182 1.012 10 0 ADAERN CC1([C@@H](O)C[C@H]2CCCO2)CC1 687714228 572238187 /nfs/dbraw/zinc/23/81/87/572238187.db2.gz IPMMLZDMSHZDOG-BDAKNGLRSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@@H]1CCC[N@@H+]1[C@@H](C)CC(=O)[O-] 37914329 572238322 /nfs/dbraw/zinc/23/83/22/572238322.db2.gz LSWCEGVFBXXUHU-DTWKUNHWSA-N 0 0 185.267 1.724 10 0 ADAERN CC[C@@H]1CCCN1C(=O)CC(C)=O 37915079 572238442 /nfs/dbraw/zinc/23/84/42/572238442.db2.gz ZRKWYXRCTLCCAI-SECBINFHSA-N 0 0 183.251 1.367 10 0 ADAERN Cc1c(Cl)cnn1CC(C)(C)O 687714227 572238542 /nfs/dbraw/zinc/23/85/42/572238542.db2.gz GLAPHCGZNMYJSY-UHFFFAOYSA-N 0 0 188.658 1.616 10 0 ADAERN CCN[C@H](c1ncc[nH]1)C(F)F 687714226 572238586 /nfs/dbraw/zinc/23/85/86/572238586.db2.gz GGODUCWBHAVVGV-YFKPBYRVSA-N 0 0 175.182 1.325 10 0 ADAERN Clc1n[nH]c([C@H]2C[C@H]3CC[C@@H]2O3)n1 70584153 572238659 /nfs/dbraw/zinc/23/86/59/572238659.db2.gz MRBKEUILYCJAEE-SRQIZXRXSA-N 0 0 199.641 1.493 10 0 ADAERN COC(=O)[C@H](O)C[C@@H](C)CC(F)F 687892494 572238700 /nfs/dbraw/zinc/23/87/00/572238700.db2.gz SYSBKWLFRCLZFB-PHDIDXHHSA-N 0 0 196.193 1.202 10 0 ADAERN CC[C@](C)(C(=O)C(F)F)N(C)C 687714136 572238705 /nfs/dbraw/zinc/23/87/05/572238705.db2.gz HACZJGPJPLXFCW-MRVPVSSYSA-N 0 0 179.210 1.551 10 0 ADAERN Nc1ccccc1C(=O)C(F)F 687714128 572238739 /nfs/dbraw/zinc/23/87/39/572238739.db2.gz ZIRMMOXUVZKHIC-UHFFFAOYSA-N 0 0 171.146 1.717 10 0 ADAERN Cc1cccnc1[C@H](N)C(F)F 687714234 572238681 /nfs/dbraw/zinc/23/86/81/572238681.db2.gz NEBUTMZGBRAGMF-LURJTMIESA-N 0 0 172.178 1.655 10 0 ADAERN COC[C@H](O)C1CCC(OC)CC1 686328910 572239223 /nfs/dbraw/zinc/23/92/23/572239223.db2.gz GPOQKZJGCWXHFA-RTBKNWGFSA-N 0 0 188.267 1.199 10 0 ADAERN COC(=O)[C@@H](O)C[C@@H](C)CC(F)F 687892498 572238802 /nfs/dbraw/zinc/23/88/02/572238802.db2.gz SYSBKWLFRCLZFB-RITPCOANSA-N 0 0 196.193 1.202 10 0 ADAERN Clc1n[nH]c([C@@H]2C[C@H]3CC[C@@H]2O3)n1 70584152 572238822 /nfs/dbraw/zinc/23/88/22/572238822.db2.gz MRBKEUILYCJAEE-PBXRRBTRSA-N 0 0 199.641 1.493 10 0 ADAERN C[C@H](NCc1nc[nH]n1)c1ccco1 37919306 572238839 /nfs/dbraw/zinc/23/88/39/572238839.db2.gz DTQWGJCDCNUMEQ-ZETCQYMHSA-N 0 0 192.222 1.249 10 0 ADAERN CC[C@H](O)[C@H](C)OC(C)C 687798379 572238870 /nfs/dbraw/zinc/23/88/70/572238870.db2.gz XAGHNYQUHKCOBA-YUMQZZPRSA-N 0 0 146.230 1.571 10 0 ADAERN CN[C@H](C(=O)OC)[C@@H](C)CC(C)C 300998694 572238873 /nfs/dbraw/zinc/23/88/73/572238873.db2.gz WTGKENZEJPJUPI-IUCAKERBSA-N 0 0 187.283 1.430 10 0 ADAERN CC[C@H]1CCC[N@@H+]1C[C@@H](C)C(=O)[O-] 37914340 572238899 /nfs/dbraw/zinc/23/88/99/572238899.db2.gz CWOFLOXHOCRLAW-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CC1([C@@H](O)C[C@@H]2CCCO2)CC1 687714230 572238916 /nfs/dbraw/zinc/23/89/16/572238916.db2.gz IPMMLZDMSHZDOG-IUCAKERBSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@H]1C=CC2(CC1)OCCO2 38948953 572239154 /nfs/dbraw/zinc/23/91/54/572239154.db2.gz VNFHLOCJIWNANW-QMMMGPOBSA-N 0 0 154.209 1.716 10 0 ADAERN O=Cc1cccc2oncc12 21020343 572239167 /nfs/dbraw/zinc/23/91/67/572239167.db2.gz QKLDFPPIBMZWHX-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN CC1([C@H](O)C[C@@H]2CCCO2)CC1 687714229 572239276 /nfs/dbraw/zinc/23/92/76/572239276.db2.gz IPMMLZDMSHZDOG-DTWKUNHWSA-N 0 0 170.252 1.717 10 0 ADAERN CCN1C(=O)[C@H]2CCC[C@@H]21 687798394 572239398 /nfs/dbraw/zinc/23/93/98/572239398.db2.gz FBIXSVVMSNCMST-BQBZGAKWSA-N 0 0 139.198 1.017 10 0 ADAERN CC[C@@H]1CCC[N@@H+]1[C@H](C(=O)[O-])C(C)C 37914285 572239418 /nfs/dbraw/zinc/23/94/18/572239418.db2.gz AZXCBYCKJZUZAJ-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN CCC[C@H]1CCC[N@H+](CC(=O)[O-])CC1 70587751 572239327 /nfs/dbraw/zinc/23/93/27/572239327.db2.gz UMTHANBJYODVPI-JTQLQIEISA-N 0 0 199.294 1.973 10 0 ADAERN CC1([C@H](O)C[C@H]2CCCO2)CC1 687714231 572239560 /nfs/dbraw/zinc/23/95/60/572239560.db2.gz IPMMLZDMSHZDOG-RKDXNWHRSA-N 0 0 170.252 1.717 10 0 ADAERN CCOC(OCC)C(=O)C(F)F 687714237 572239581 /nfs/dbraw/zinc/23/95/81/572239581.db2.gz YYMNKWMVWACJLI-UHFFFAOYSA-N 0 0 182.166 1.220 10 0 ADAERN CCN1C(=O)[C@H]2CCC[C@H]21 687798395 572239661 /nfs/dbraw/zinc/23/96/61/572239661.db2.gz FBIXSVVMSNCMST-NKWVEPMBSA-N 0 0 139.198 1.017 10 0 ADAERN CCN1C(=O)[C@@H]2CCC[C@@H]21 687798397 572240020 /nfs/dbraw/zinc/24/00/20/572240020.db2.gz FBIXSVVMSNCMST-RQJHMYQMSA-N 0 0 139.198 1.017 10 0 ADAERN O[C@H](CC1CC1)C1CCC1 21061517 572239878 /nfs/dbraw/zinc/23/98/78/572239878.db2.gz ATUWJDFGVLPUOC-SECBINFHSA-N 0 0 140.226 1.948 10 0 ADAERN CC[C@@H](C)OC(=O)[C@H](N)CC(C)C 43561945 572240077 /nfs/dbraw/zinc/24/00/77/572240077.db2.gz VYGICKCDLODKKM-RKDXNWHRSA-N 0 0 187.283 1.702 10 0 ADAERN CCN1C(=O)[C@@H]2CCC[C@H]21 687798396 572240233 /nfs/dbraw/zinc/24/02/33/572240233.db2.gz FBIXSVVMSNCMST-RNFRBKRXSA-N 0 0 139.198 1.017 10 0 ADAERN C[C@@H](NOC(C)(C)C)c1ccnn1C 235210100 572240298 /nfs/dbraw/zinc/24/02/98/572240298.db2.gz PYZKQDKDJQPEJK-MRVPVSSYSA-N 0 0 197.282 1.801 10 0 ADAERN CCCSCC(=O)[C@H](C)COC 687714281 572240306 /nfs/dbraw/zinc/24/03/06/572240306.db2.gz FGNXBSVGSUXAIN-MRVPVSSYSA-N 0 0 190.308 1.981 10 0 ADAERN CCC[C@@H]1CCC[N@H+](CC(=O)[O-])CC1 70587750 572240753 /nfs/dbraw/zinc/24/07/53/572240753.db2.gz UMTHANBJYODVPI-SNVBAGLBSA-N 0 0 199.294 1.973 10 0 ADAERN CC[C@H](C)OC(=O)[C@H](N)CC(C)C 43561946 572240913 /nfs/dbraw/zinc/24/09/13/572240913.db2.gz VYGICKCDLODKKM-DTWKUNHWSA-N 0 0 187.283 1.702 10 0 ADAERN Cc1ccc(NC[C@@H]2CCCO2)nc1 21063069 572240974 /nfs/dbraw/zinc/24/09/74/572240974.db2.gz DBXFKDKEPAGQED-JTQLQIEISA-N 0 0 192.262 1.981 10 0 ADAERN COCCO[C@@H]1C[C@@H](C)CC[C@H]1O 44222515 572242056 /nfs/dbraw/zinc/24/20/56/572242056.db2.gz LZARLLFXJXZNME-IVZWLZJFSA-N 0 0 188.267 1.199 10 0 ADAERN O[C@@H](CC1CC1)C1CCC1 21061513 572241294 /nfs/dbraw/zinc/24/12/94/572241294.db2.gz ATUWJDFGVLPUOC-VIFPVBQESA-N 0 0 140.226 1.948 10 0 ADAERN O=C(OC1CC1)C1CCC1 21062725 572241369 /nfs/dbraw/zinc/24/13/69/572241369.db2.gz TZFDRCSUUAKDAY-UHFFFAOYSA-N 0 0 140.182 1.492 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)OC1CC1 21084315 572241520 /nfs/dbraw/zinc/24/15/20/572241520.db2.gz BIIZSBZEQPIDTN-VDTYLAMSSA-N 0 0 140.182 1.348 10 0 ADAERN C[C@H]1C[C@H]1C(=O)[C@H]1C[C@H]1C 21114523 572241678 /nfs/dbraw/zinc/24/16/78/572241678.db2.gz IXWAGBMYUCIFRH-SOSBWXJGSA-N 0 0 138.210 1.868 10 0 ADAERN COCCO[C@@H]1C[C@H](C)CC[C@H]1O 44222511 572241789 /nfs/dbraw/zinc/24/17/89/572241789.db2.gz LZARLLFXJXZNME-OPRDCNLKSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)CC1CC1 21082361 572241807 /nfs/dbraw/zinc/24/18/07/572241807.db2.gz BHDVZDOBEBAIEB-VDAHYXPESA-N 0 0 140.226 1.803 10 0 ADAERN Cc1ccc(NC[C@H]2CCCO2)nc1 21063072 572241808 /nfs/dbraw/zinc/24/18/08/572241808.db2.gz DBXFKDKEPAGQED-SNVBAGLBSA-N 0 0 192.262 1.981 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H]2O[C@@H]2C1 21117547 572241834 /nfs/dbraw/zinc/24/18/34/572241834.db2.gz FCRKQUHYNVKCST-GJMOJQLCSA-N 0 0 140.182 1.143 10 0 ADAERN COCc1cnc2ccc(Cl)nn12 88260221 572241861 /nfs/dbraw/zinc/24/18/61/572241861.db2.gz WQKFEHFTRGEZPP-UHFFFAOYSA-N 0 0 197.625 1.529 10 0 ADAERN CCCSCC(=O)[C@@H](C)COC 687714282 572241977 /nfs/dbraw/zinc/24/19/77/572241977.db2.gz FGNXBSVGSUXAIN-QMMMGPOBSA-N 0 0 190.308 1.981 10 0 ADAERN C[C@@H](O)C1CC(C2CC2)C1 21229511 572243355 /nfs/dbraw/zinc/24/33/55/572243355.db2.gz LFSKOCCFVFOYFG-KXNKJCORSA-N 0 0 140.226 1.803 10 0 ADAERN CC1=C[C@H]2CC[C@@H]1CC2=O 21194261 572242229 /nfs/dbraw/zinc/24/22/29/572242229.db2.gz AYZNSKGBMVHIKI-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN CCOC[C@@H](C)N1CCC(=O)[C@H](C)C1 44725380 572242451 /nfs/dbraw/zinc/24/24/51/572242451.db2.gz XRJYLBAYMYFYCJ-NXEZZACHSA-N 0 0 199.294 1.322 10 0 ADAERN CC(N)=CC(=O)OC[Si](C)(C)C 220308452 572242559 /nfs/dbraw/zinc/24/25/59/572242559.db2.gz GUNWFUXGLOQHJA-ALCCZGGFSA-N 0 0 187.315 1.270 10 0 ADAERN C[C@]1([C@H](N)C(F)F)CCCCO1 687714323 572242614 /nfs/dbraw/zinc/24/26/14/572242614.db2.gz ZNPWKKJUVYTLCU-HTRCEHHLSA-N 0 0 179.210 1.538 10 0 ADAERN CC[C@H]1CC[N@H+](CC)[C@@H](C(=O)[O-])C1 21301560 572242648 /nfs/dbraw/zinc/24/26/48/572242648.db2.gz LEMBAWJBWHZPLL-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CN(CC1CC1)C(=O)c1cc(N)c[nH]1 37924802 572242674 /nfs/dbraw/zinc/24/26/74/572242674.db2.gz GMNDVAJSVMCEKY-UHFFFAOYSA-N 0 0 193.250 1.079 10 0 ADAERN CC1(C(=O)C[C@@H]2CCCO2)CC1 687714311 572242780 /nfs/dbraw/zinc/24/27/80/572242780.db2.gz PQTXEYUYWPZANE-QMMMGPOBSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@]1([C@H](N)C(F)F)CCCCO1 687714325 572242782 /nfs/dbraw/zinc/24/27/82/572242782.db2.gz ZNPWKKJUVYTLCU-SVRRBLITSA-N 0 0 179.210 1.538 10 0 ADAERN CCCNCc1nc(CCC)no1 44315450 572242871 /nfs/dbraw/zinc/24/28/71/572242871.db2.gz YZKAEIGOYGXCAP-UHFFFAOYSA-N 0 0 183.255 1.522 10 0 ADAERN CCCNCc1nc(C2CC2)no1 44349544 572242903 /nfs/dbraw/zinc/24/29/03/572242903.db2.gz VKJWYEOXKNMDQA-UHFFFAOYSA-N 0 0 181.239 1.447 10 0 ADAERN C/C=C/C[N@@H+](C)[C@@H](CC)C(=O)[O-] 44621598 572242980 /nfs/dbraw/zinc/24/29/80/572242980.db2.gz JHUGFWQLWHNMIK-JQTRYQTASA-N 0 0 171.240 1.358 10 0 ADAERN CC1(C(=O)C[C@H]2CCCO2)CC1 687714310 572243005 /nfs/dbraw/zinc/24/30/05/572243005.db2.gz PQTXEYUYWPZANE-MRVPVSSYSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@]1([C@@H](N)C(F)F)CCCCO1 687714324 572243007 /nfs/dbraw/zinc/24/30/07/572243007.db2.gz ZNPWKKJUVYTLCU-POYBYMJQSA-N 0 0 179.210 1.538 10 0 ADAERN OC[C@H]1O[C@H]1C1CCCCC1 21297488 572243161 /nfs/dbraw/zinc/24/31/61/572243161.db2.gz JHPCIQWUOSMNLK-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)[C@H](O)CC[C@@H](C)[C@H]1CO1 393370799 572243192 /nfs/dbraw/zinc/24/31/92/572243192.db2.gz MGEDTULQHCTTDJ-OPRDCNLKSA-N 0 0 172.268 1.818 10 0 ADAERN CCOC[C@H](C)N1CCC(=O)[C@H](C)C1 44725381 572243293 /nfs/dbraw/zinc/24/32/93/572243293.db2.gz XRJYLBAYMYFYCJ-ZJUUUORDSA-N 0 0 199.294 1.322 10 0 ADAERN C[C@@]1([C@@H](N)C(F)F)CCCCO1 687714326 572243662 /nfs/dbraw/zinc/24/36/62/572243662.db2.gz ZNPWKKJUVYTLCU-XPUUQOCRSA-N 0 0 179.210 1.538 10 0 ADAERN C/C=C/C[N@@H+](C)[C@H](CC)C(=O)[O-] 44621601 572243994 /nfs/dbraw/zinc/24/39/94/572243994.db2.gz JHUGFWQLWHNMIK-YZCDNWJKSA-N 0 0 171.240 1.358 10 0 ADAERN CC(C)[C@H](O)CC[C@H](C)[C@H]1CO1 393370798 572244057 /nfs/dbraw/zinc/24/40/57/572244057.db2.gz MGEDTULQHCTTDJ-IVZWLZJFSA-N 0 0 172.268 1.818 10 0 ADAERN CCCNCc1nc(CC(C)C)no1 44315610 572244105 /nfs/dbraw/zinc/24/41/05/572244105.db2.gz OBVCTBLIAQACPK-UHFFFAOYSA-N 0 0 197.282 1.768 10 0 ADAERN CC[C@@H]1CC[N@H+](CC)[C@@H](C(=O)[O-])C1 21301554 572244135 /nfs/dbraw/zinc/24/41/35/572244135.db2.gz LEMBAWJBWHZPLL-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1C[C@H]2C=C[C@@H]1CC2=O 21192972 572244147 /nfs/dbraw/zinc/24/41/47/572244147.db2.gz YVFUFSVEZFIXRK-BWZBUEFSSA-N 0 0 136.194 1.788 10 0 ADAERN CCOC(=O)CCO[C@H](C)CC 48263460 572247281 /nfs/dbraw/zinc/24/72/81/572247281.db2.gz YCNIYFMBSYIXJW-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN CCCNCc1nc(CC)no1 44301447 572244253 /nfs/dbraw/zinc/24/42/53/572244253.db2.gz PPEGEEAKQBQMKX-UHFFFAOYSA-N 0 0 169.228 1.132 10 0 ADAERN CCC/C=C(/N)C(=O)OCC 144822872 572245479 /nfs/dbraw/zinc/24/54/79/572245479.db2.gz DYQMTOXEOYQBOT-VOTSOKGWSA-N 0 0 157.213 1.192 10 0 ADAERN CCO[C@@H](C)C(=O)C1CC1 21413466 572244372 /nfs/dbraw/zinc/24/43/72/572244372.db2.gz ABZYCHLNGMJSER-LURJTMIESA-N 0 0 142.198 1.391 10 0 ADAERN Cc1csc(NCCCO)n1 21506422 572246440 /nfs/dbraw/zinc/24/64/40/572246440.db2.gz BHEDGWQMNVPETE-UHFFFAOYSA-N 0 0 172.253 1.246 10 0 ADAERN CCO[C@H](C)[C@@H](O)C1CC1 21399662 572244383 /nfs/dbraw/zinc/24/43/83/572244383.db2.gz GJZVWGLVZWTWKF-HTRCEHHLSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@H](OC)C(=O)C1CC1 21377091 572244566 /nfs/dbraw/zinc/24/45/66/572244566.db2.gz UBHZWGHFPCFVNN-ZETCQYMHSA-N 0 0 142.198 1.391 10 0 ADAERN Cc1noc(-c2cccc(N)c2C)n1 45894336 572244584 /nfs/dbraw/zinc/24/45/84/572244584.db2.gz SZRSNJMZMWLPQM-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CCCC(=O)[C@H](O)C1CC1 21407792 572244740 /nfs/dbraw/zinc/24/47/40/572244740.db2.gz PUFBFECKAUJLFP-MRVPVSSYSA-N 0 0 142.198 1.127 10 0 ADAERN CCC[C@H](O)C(=O)C1CC1 21413303 572244779 /nfs/dbraw/zinc/24/47/79/572244779.db2.gz CZZYPNQFBYOPPL-ZETCQYMHSA-N 0 0 142.198 1.127 10 0 ADAERN CC[C@H](OC)[C@@H](O)C1CC1 21368965 572244788 /nfs/dbraw/zinc/24/47/88/572244788.db2.gz OPHNYYJSTUVQCN-YUMQZZPRSA-N 0 0 144.214 1.182 10 0 ADAERN CCCN[C@@H](CN(C)C)C(F)F 687714353 572244820 /nfs/dbraw/zinc/24/48/20/572244820.db2.gz MWTMJLRIVDJNNJ-ZETCQYMHSA-N 0 0 180.242 1.181 10 0 ADAERN O=C1[C@H]2C[C@@H]3C[C@H]2C[C@H]1C3 21321799 572244930 /nfs/dbraw/zinc/24/49/30/572244930.db2.gz QUXWGFTVVNVNFO-CWKFCGSDSA-N 0 0 136.194 1.622 10 0 ADAERN CC(C)CN1C(=O)CC12CCC2 687714403 572247361 /nfs/dbraw/zinc/24/73/61/572247361.db2.gz CYUGKKJSRWWYOO-UHFFFAOYSA-N 0 0 167.252 1.797 10 0 ADAERN Cc1nc(CN[C@H](C)C2CC2)no1 235213064 572244967 /nfs/dbraw/zinc/24/49/67/572244967.db2.gz ODCYRXFYRCXRJH-ZCFIWIBFSA-N 0 0 181.239 1.266 10 0 ADAERN C[C@](O)(C1CCC1)C1CC1 21366608 572245118 /nfs/dbraw/zinc/24/51/18/572245118.db2.gz QRNRMKSQFPXSLQ-VIFPVBQESA-N 0 0 140.226 1.948 10 0 ADAERN CC[C@H](OC)[C@H](O)C1CC1 21368976 572245164 /nfs/dbraw/zinc/24/51/64/572245164.db2.gz OPHNYYJSTUVQCN-JGVFFNPUSA-N 0 0 144.214 1.182 10 0 ADAERN COCCN1CCC(=O)C12CC(C)C2 712044971 572245179 /nfs/dbraw/zinc/24/51/79/572245179.db2.gz IMZVTVCEJRAPHQ-UHFFFAOYSA-N 0 0 197.278 1.076 10 0 ADAERN CCCC(=O)[C@@H](O)C1CC1 21407789 572245193 /nfs/dbraw/zinc/24/51/93/572245193.db2.gz PUFBFECKAUJLFP-QMMMGPOBSA-N 0 0 142.198 1.127 10 0 ADAERN CCC(=O)[C@@H](OC)c1cscn1 687714744 572249130 /nfs/dbraw/zinc/24/91/30/572249130.db2.gz HKKUTVJFDCVSJQ-QMMMGPOBSA-N 0 0 185.248 1.810 10 0 ADAERN CCO[C@@H](C)[C@H](O)C1CC1 21399666 572245226 /nfs/dbraw/zinc/24/52/26/572245226.db2.gz GJZVWGLVZWTWKF-XPUUQOCRSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@@H](OC)[C@@H](O)C1CC1 21368959 572245234 /nfs/dbraw/zinc/24/52/34/572245234.db2.gz OPHNYYJSTUVQCN-SFYZADRCSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@@H](OC)[C@H](O)C1CC1 21368970 572245250 /nfs/dbraw/zinc/24/52/50/572245250.db2.gz OPHNYYJSTUVQCN-HTQZYQBOSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@@H](OC)C(=O)C1CC1 21377087 572245428 /nfs/dbraw/zinc/24/54/28/572245428.db2.gz UBHZWGHFPCFVNN-SSDOTTSWSA-N 0 0 142.198 1.391 10 0 ADAERN COC[C@H](C)Cc1nccc(=S)[nH]1 404253416 572245441 /nfs/dbraw/zinc/24/54/41/572245441.db2.gz LUJQIXITVIWMNF-SSDOTTSWSA-N 0 0 198.291 1.590 10 0 ADAERN Fc1cc(OCCOC2CC2)ncn1 712041040 572245450 /nfs/dbraw/zinc/24/54/50/572245450.db2.gz WKMSGGDLBOQEGC-UHFFFAOYSA-N 0 0 198.197 1.174 10 0 ADAERN CCO[C@H](C)[C@H](O)C1CC1 21399671 572245602 /nfs/dbraw/zinc/24/56/02/572245602.db2.gz GJZVWGLVZWTWKF-SVRRBLITSA-N 0 0 144.214 1.182 10 0 ADAERN CCCN[C@H](CN(C)C)C(F)F 687714352 572245618 /nfs/dbraw/zinc/24/56/18/572245618.db2.gz MWTMJLRIVDJNNJ-SSDOTTSWSA-N 0 0 180.242 1.181 10 0 ADAERN CC/C=C(\C(=O)OCC)[C@@H](C)O 393371466 572245687 /nfs/dbraw/zinc/24/56/87/572245687.db2.gz NPWJEVPSRKGVIS-QHRPWQPMSA-N 0 0 172.224 1.267 10 0 ADAERN O=C1C[C@H]2C[C@H]2[C@@H]2C[C@@H]2C1 21361426 572245700 /nfs/dbraw/zinc/24/57/00/572245700.db2.gz RCUPEKHRBLYAEA-HMJBSVBGSA-N 0 0 136.194 1.622 10 0 ADAERN CC/C=C(\C)[N+](=O)[O-] 21304258 572245707 /nfs/dbraw/zinc/24/57/07/572245707.db2.gz GRIOPRKVQWFULY-SNAWJCMRSA-N 0 0 115.132 1.577 10 0 ADAERN COC[C@@H](C)Cc1nccc(=S)[nH]1 404253417 572245736 /nfs/dbraw/zinc/24/57/36/572245736.db2.gz LUJQIXITVIWMNF-ZETCQYMHSA-N 0 0 198.291 1.590 10 0 ADAERN CCCN1CCC(=O)[C@@]12CCO[C@H]2C 712056136 572249152 /nfs/dbraw/zinc/24/91/52/572249152.db2.gz GNMXRSRLIFLKKF-ONGXEEELSA-N 0 0 197.278 1.219 10 0 ADAERN C/C=C/CN(CC)CC(=O)OC 49947668 572249155 /nfs/dbraw/zinc/24/91/55/572249155.db2.gz OJZKVHKHVLOVKD-GQCTYLIASA-N 0 0 171.240 1.057 10 0 ADAERN CC/C=C(\C(=O)OCC)[C@H](C)O 393371467 572245854 /nfs/dbraw/zinc/24/58/54/572245854.db2.gz NPWJEVPSRKGVIS-VQKCLUMFSA-N 0 0 172.224 1.267 10 0 ADAERN C[C@@H](NCC(F)F)c1ccnn1C 235214576 572245856 /nfs/dbraw/zinc/24/58/56/572245856.db2.gz ATWXAABHTJUHET-ZCFIWIBFSA-N 0 0 189.209 1.336 10 0 ADAERN Cc1ccc(C=O)cc1N 21304733 572245875 /nfs/dbraw/zinc/24/58/75/572245875.db2.gz IFRFCGDTWWZZBG-UHFFFAOYSA-N 0 0 135.166 1.390 10 0 ADAERN CCO[C@H](C)C(=O)C1CC1 21413471 572245884 /nfs/dbraw/zinc/24/58/84/572245884.db2.gz ABZYCHLNGMJSER-ZCFIWIBFSA-N 0 0 142.198 1.391 10 0 ADAERN CCC[C@@H](O)C(=O)C1CC1 21413299 572246042 /nfs/dbraw/zinc/24/60/42/572246042.db2.gz CZZYPNQFBYOPPL-SSDOTTSWSA-N 0 0 142.198 1.127 10 0 ADAERN Nc1cc(F)c(F)c(-c2nnc[nH]2)c1 725346382 572246044 /nfs/dbraw/zinc/24/60/44/572246044.db2.gz PRYCOYQMCUDPRF-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN Cc1nc(CN[C@H](C)C2CCC2)no1 235213103 572246140 /nfs/dbraw/zinc/24/61/40/572246140.db2.gz WDAHKGQPGWTTGJ-SSDOTTSWSA-N 0 0 195.266 1.656 10 0 ADAERN O=C1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C1 21361411 572246221 /nfs/dbraw/zinc/24/62/21/572246221.db2.gz RCUPEKHRBLYAEA-YUWMTVOPSA-N 0 0 136.194 1.622 10 0 ADAERN CCc1nc(Cl)cc(COC)n1 45956047 572246301 /nfs/dbraw/zinc/24/63/01/572246301.db2.gz RVKZGCHQYNISMQ-UHFFFAOYSA-N 0 0 186.642 1.839 10 0 ADAERN CC(C)ONC(=O)C[C@H]1C[C@@H]1C1CC1 712061834 572250762 /nfs/dbraw/zinc/25/07/62/572250762.db2.gz GWPSAPPAUOWUOX-NXEZZACHSA-N 0 0 197.278 1.879 10 0 ADAERN O=Cc1cccc(OCCCCO)c1 48022202 572246483 /nfs/dbraw/zinc/24/64/83/572246483.db2.gz JUHLCEJYYFQBTA-UHFFFAOYSA-N 0 0 194.230 1.650 10 0 ADAERN CCN1CCC(=O)[C@H]1[C@H]1CC12CC2 712062344 572251360 /nfs/dbraw/zinc/25/13/60/572251360.db2.gz YCCJEQGWIFZXTE-PSASIEDQSA-N 0 0 179.263 1.450 10 0 ADAERN CC[C@H](C)NCC(=O)O[C@@H](C)CC 48265713 572246541 /nfs/dbraw/zinc/24/65/41/572246541.db2.gz UKZFMPPVBCKGPZ-IUCAKERBSA-N 0 0 187.283 1.716 10 0 ADAERN CC(C)ONC(=O)C[C@@H]1C[C@@H]1C1CC1 712061841 572251369 /nfs/dbraw/zinc/25/13/69/572251369.db2.gz GWPSAPPAUOWUOX-VHSXEESVSA-N 0 0 197.278 1.879 10 0 ADAERN CCC(=O)CN1C[C@H](C)OC[C@H]1CC 50179925 572251398 /nfs/dbraw/zinc/25/13/98/572251398.db2.gz RRPQPSOVKIUGJQ-VHSXEESVSA-N 0 0 199.294 1.465 10 0 ADAERN CC[C@H](C)OC(=O)CNC1CC1 48265710 572246685 /nfs/dbraw/zinc/24/66/85/572246685.db2.gz RLYYXBTVRKNMHX-ZETCQYMHSA-N 0 0 171.240 1.080 10 0 ADAERN C/C=C/CN1CCC[C@@H]1C(=O)OCC 50064383 572251402 /nfs/dbraw/zinc/25/14/02/572251402.db2.gz FNZBIMYWTXAJAN-RXNUUUNCSA-N 0 0 197.278 1.590 10 0 ADAERN C[C@@H](NCc1ccncn1)C(F)F 235214852 572246934 /nfs/dbraw/zinc/24/69/34/572246934.db2.gz HSGLPFBEJZQBHF-ZCFIWIBFSA-N 0 0 187.193 1.220 10 0 ADAERN CC[C@H](C)OCCCC(=O)OC 48263465 572246978 /nfs/dbraw/zinc/24/69/78/572246978.db2.gz IVTNKMLCURCRCD-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN CC[C@H](C)OC(=O)CN[C@H](C)CC 48265711 572246996 /nfs/dbraw/zinc/24/69/96/572246996.db2.gz UKZFMPPVBCKGPZ-BDAKNGLRSA-N 0 0 187.283 1.716 10 0 ADAERN CC(C)OCCCN1CCSC1 687714508 572247052 /nfs/dbraw/zinc/24/70/52/572247052.db2.gz ADIXZALQYCCSMU-UHFFFAOYSA-N 0 0 189.324 1.808 10 0 ADAERN O=C1CCN(CC2CC2)C12CCC2 712045317 572247064 /nfs/dbraw/zinc/24/70/64/572247064.db2.gz KLBLSOYIXLIAKT-UHFFFAOYSA-N 0 0 179.263 1.594 10 0 ADAERN OCCCCOc1ccccc1CO 48022725 572247098 /nfs/dbraw/zinc/24/70/98/572247098.db2.gz YLFJBLQKHNLEPJ-UHFFFAOYSA-N 0 0 196.246 1.330 10 0 ADAERN CC[C@@H](C)OCCC(=O)OC 48263430 572247103 /nfs/dbraw/zinc/24/71/03/572247103.db2.gz CNEKDOXFCXZZHH-SSDOTTSWSA-N 0 0 160.213 1.365 10 0 ADAERN CN[C@@H](Cc1ccco1)C(F)F 234397763 572247204 /nfs/dbraw/zinc/24/72/04/572247204.db2.gz KIYCOILIJSCCST-ZETCQYMHSA-N 0 0 175.178 1.675 10 0 ADAERN CC(C)[C@H](CO)Cn1cccc1 394180015 572247371 /nfs/dbraw/zinc/24/73/71/572247371.db2.gz PQWHMHYNVGSYLB-JTQLQIEISA-N 0 0 167.252 1.753 10 0 ADAERN CC[C@@H](C)OC(=O)CNC1CCCC1 48265681 572247425 /nfs/dbraw/zinc/24/74/25/572247425.db2.gz MVEHRMCJICRFRL-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN CC[C@H](C)OCCC(=O)OC 48263432 572247470 /nfs/dbraw/zinc/24/74/70/572247470.db2.gz CNEKDOXFCXZZHH-ZETCQYMHSA-N 0 0 160.213 1.365 10 0 ADAERN CC[C@@H](C)N(C)Cc1ncon1 687714511 572247538 /nfs/dbraw/zinc/24/75/38/572247538.db2.gz ZZTZHRFMLLHECJ-SSDOTTSWSA-N 0 0 169.228 1.300 10 0 ADAERN CC[C@H](C)N(C)Cc1ncon1 687714512 572247672 /nfs/dbraw/zinc/24/76/72/572247672.db2.gz ZZTZHRFMLLHECJ-ZETCQYMHSA-N 0 0 169.228 1.300 10 0 ADAERN Cn1nc(C[C@H]2CC[C@@H]3C[C@H]23)cc1N 725348713 572247586 /nfs/dbraw/zinc/24/75/86/572247586.db2.gz ORJXMCZGEFJODS-NQMVMOMDSA-N 0 0 191.278 1.591 10 0 ADAERN CC[C@@H](C)NCC(=O)O[C@H](C)CC 48265715 572247588 /nfs/dbraw/zinc/24/75/88/572247588.db2.gz UKZFMPPVBCKGPZ-RKDXNWHRSA-N 0 0 187.283 1.716 10 0 ADAERN CC[C@@H](C)OCCCC(N)=S 48264689 572247614 /nfs/dbraw/zinc/24/76/14/572247614.db2.gz XJSLDKLQGWRPOS-SSDOTTSWSA-N 0 0 175.297 1.868 10 0 ADAERN OCCCCOc1ccc(CO)cc1 48022401 572247729 /nfs/dbraw/zinc/24/77/29/572247729.db2.gz SGPBVDHSQLLTSU-UHFFFAOYSA-N 0 0 196.246 1.330 10 0 ADAERN CC[C@@H](C)OC(=O)CNC1CC1 48265709 572247762 /nfs/dbraw/zinc/24/77/62/572247762.db2.gz RLYYXBTVRKNMHX-SSDOTTSWSA-N 0 0 171.240 1.080 10 0 ADAERN C/C=C/C[N@H+](CCO)C1CC1 48065388 572247792 /nfs/dbraw/zinc/24/77/92/572247792.db2.gz OPFQLJDIFMYPTJ-NSCUHMNNSA-N 0 0 155.241 1.019 10 0 ADAERN CC[C@H](C)NCC(=O)O[C@H](C)CC 48265717 572247812 /nfs/dbraw/zinc/24/78/12/572247812.db2.gz UKZFMPPVBCKGPZ-DTWKUNHWSA-N 0 0 187.283 1.716 10 0 ADAERN Cc1ccc(NCC[NH+](C)C)nc1 21514040 572247831 /nfs/dbraw/zinc/24/78/31/572247831.db2.gz RVUOTYXJSZHOKS-UHFFFAOYSA-N 0 0 179.267 1.364 10 0 ADAERN CCOC(=O)CCO[C@@H](C)CC 48263461 572247957 /nfs/dbraw/zinc/24/79/57/572247957.db2.gz YCNIYFMBSYIXJW-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN CCCCOC(=O)COCC1CC1 47959023 572247962 /nfs/dbraw/zinc/24/79/62/572247962.db2.gz DLERMSMNLLJYKV-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CC[C@H](C)OCCCC(N)=S 48264691 572247965 /nfs/dbraw/zinc/24/79/65/572247965.db2.gz XJSLDKLQGWRPOS-ZETCQYMHSA-N 0 0 175.297 1.868 10 0 ADAERN CCCCOC(=O)CN(C)C1CC1 48068970 572248005 /nfs/dbraw/zinc/24/80/05/572248005.db2.gz HLRMUBPSLVLTPS-UHFFFAOYSA-N 0 0 185.267 1.424 10 0 ADAERN CC1(C)CC(=O)N1C1CCCC1 687714398 572248062 /nfs/dbraw/zinc/24/80/62/572248062.db2.gz BCLQDPFSZDDYCU-UHFFFAOYSA-N 0 0 167.252 1.940 10 0 ADAERN CC[C@H](C)OC(=O)CNC1CCCC1 48265683 572248081 /nfs/dbraw/zinc/24/80/81/572248081.db2.gz MVEHRMCJICRFRL-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN COC(=O)[C@H](C)OCC(F)(F)F 47958998 572248210 /nfs/dbraw/zinc/24/82/10/572248210.db2.gz GQOMHKAAURWVDO-BYPYZUCNSA-N 0 0 186.129 1.127 10 0 ADAERN COC(=O)[C@@H](C)OCC(F)(F)F 47959000 572248239 /nfs/dbraw/zinc/24/82/39/572248239.db2.gz GQOMHKAAURWVDO-SCSAIBSYSA-N 0 0 186.129 1.127 10 0 ADAERN CC(C)(CO)Cn1cc(Cl)cn1 687714524 572248338 /nfs/dbraw/zinc/24/83/38/572248338.db2.gz QDWDGNDBPRZVIO-UHFFFAOYSA-N 0 0 188.658 1.555 10 0 ADAERN COCCCCN1CCCSC1 687714623 572248340 /nfs/dbraw/zinc/24/83/40/572248340.db2.gz QODQDIMUWFNPIK-UHFFFAOYSA-N 0 0 189.324 1.809 10 0 ADAERN CC(=O)NC[C@H](C)[C@@H]1CCCCO1 712049558 572248374 /nfs/dbraw/zinc/24/83/74/572248374.db2.gz AACUHZUXPCDBEY-WPRPVWTQSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)N1C(=O)[C@H]2CCCC[C@H]21 687714603 572248378 /nfs/dbraw/zinc/24/83/78/572248378.db2.gz IYPCABZPWJHADM-DTWKUNHWSA-N 0 0 167.252 1.796 10 0 ADAERN COCc1nc(CN(C)C)cs1 687714621 572248381 /nfs/dbraw/zinc/24/83/81/572248381.db2.gz CBTUJOYOSCCGFL-UHFFFAOYSA-N 0 0 186.280 1.351 10 0 ADAERN COCCCN1C(=O)CC1(C)C 687714618 572248387 /nfs/dbraw/zinc/24/83/87/572248387.db2.gz UGIPOUYUHOUJEH-UHFFFAOYSA-N 0 0 171.240 1.034 10 0 ADAERN CC(=O)NC[C@H](C)[C@H]1CCCCO1 712049533 572248410 /nfs/dbraw/zinc/24/84/10/572248410.db2.gz AACUHZUXPCDBEY-WCBMZHEXSA-N 0 0 185.267 1.328 10 0 ADAERN CSCCN1C(=O)CCC[C@H]1C 687714607 572248485 /nfs/dbraw/zinc/24/84/85/572248485.db2.gz RFJHVWQNXUABDF-MRVPVSSYSA-N 0 0 187.308 1.750 10 0 ADAERN CSCCN1C(=O)CCC[C@@H]1C 687714609 572248299 /nfs/dbraw/zinc/24/82/99/572248299.db2.gz RFJHVWQNXUABDF-QMMMGPOBSA-N 0 0 187.308 1.750 10 0 ADAERN CC(C)N1C(=O)[C@H]2CCCC[C@@H]21 687714604 572248509 /nfs/dbraw/zinc/24/85/09/572248509.db2.gz IYPCABZPWJHADM-IUCAKERBSA-N 0 0 167.252 1.796 10 0 ADAERN C1COC[C@H](N2CCCSC2)C1 687714628 572248542 /nfs/dbraw/zinc/24/85/42/572248542.db2.gz RWJBGVNOXHUMEE-SECBINFHSA-N 0 0 187.308 1.562 10 0 ADAERN CC(=O)NC[C@@H](C)[C@@H]1CCCCO1 712049528 572248547 /nfs/dbraw/zinc/24/85/47/572248547.db2.gz AACUHZUXPCDBEY-SCZZXKLOSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)(CO)CN1CCCSC1 687714624 572248614 /nfs/dbraw/zinc/24/86/14/572248614.db2.gz VNFZCTIENGOAMV-UHFFFAOYSA-N 0 0 189.324 1.401 10 0 ADAERN C1COC[C@@H](N2CCCSC2)C1 687714629 572248648 /nfs/dbraw/zinc/24/86/48/572248648.db2.gz RWJBGVNOXHUMEE-VIFPVBQESA-N 0 0 187.308 1.562 10 0 ADAERN CC(C)N1C(=O)[C@@H]2CCCC[C@H]21 687714605 572248679 /nfs/dbraw/zinc/24/86/79/572248679.db2.gz IYPCABZPWJHADM-RKDXNWHRSA-N 0 0 167.252 1.796 10 0 ADAERN NC(=O)COCc1ccccc1Cl 48193457 572248764 /nfs/dbraw/zinc/24/87/64/572248764.db2.gz HPLFPZZSGSXEOO-UHFFFAOYSA-N 0 0 199.637 1.342 10 0 ADAERN CSCCN(C)c1ccnn1C 687714552 572248865 /nfs/dbraw/zinc/24/88/65/572248865.db2.gz WGEJWBNTLAFERE-UHFFFAOYSA-N 0 0 185.296 1.219 10 0 ADAERN CC(=O)NC[C@@H](C)[C@H]1CCCCO1 712049493 572248879 /nfs/dbraw/zinc/24/88/79/572248879.db2.gz AACUHZUXPCDBEY-PSASIEDQSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)N1C(=O)[C@@H]2CCCC[C@@H]21 687714602 572248880 /nfs/dbraw/zinc/24/88/80/572248880.db2.gz IYPCABZPWJHADM-BDAKNGLRSA-N 0 0 167.252 1.796 10 0 ADAERN CCO[C@@](C)(C(C)=O)[C@H](C)OC 687714730 572249083 /nfs/dbraw/zinc/24/90/83/572249083.db2.gz KHWJEGCCCVUULX-IUCAKERBSA-N 0 0 174.240 1.406 10 0 ADAERN COCCC(=O)c1cccc(C)n1 687714896 572249118 /nfs/dbraw/zinc/24/91/18/572249118.db2.gz SUZNGWQREANQFQ-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN COCCC(=O)c1cc(C)ccn1 687714889 572249108 /nfs/dbraw/zinc/24/91/08/572249108.db2.gz IFIVGAVXWCUQGE-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN CCCN1CCC(=O)[C@]12CCO[C@H]2C 712056117 572249183 /nfs/dbraw/zinc/24/91/83/572249183.db2.gz GNMXRSRLIFLKKF-GXSJLCMTSA-N 0 0 197.278 1.219 10 0 ADAERN COC[C@H](C)[C@H](O)[C@@H]1CC=CCC1 687714966 572249199 /nfs/dbraw/zinc/24/91/99/572249199.db2.gz BAJMJQUYCXJSCZ-AXFHLTTASA-N 0 0 184.279 1.986 10 0 ADAERN O=C1[C@H]2CCC[C@H]2N1CC1CC1 687714752 572249264 /nfs/dbraw/zinc/24/92/64/572249264.db2.gz HMPDJWJKTFGRLF-DTWKUNHWSA-N 0 0 165.236 1.407 10 0 ADAERN CC(C)CN1C(=O)[C@H]2CCC[C@@H]21 687714787 572249270 /nfs/dbraw/zinc/24/92/70/572249270.db2.gz POFCYXDZVDITSQ-IUCAKERBSA-N 0 0 167.252 1.653 10 0 ADAERN O=C1[C@@H]2CCC[C@H]2N1CC1CC1 687714754 572249285 /nfs/dbraw/zinc/24/92/85/572249285.db2.gz HMPDJWJKTFGRLF-RKDXNWHRSA-N 0 0 165.236 1.407 10 0 ADAERN O=C1[C@H]2CCC[C@@H]2N1CC1CC1 687714753 572249342 /nfs/dbraw/zinc/24/93/42/572249342.db2.gz HMPDJWJKTFGRLF-IUCAKERBSA-N 0 0 165.236 1.407 10 0 ADAERN CCO[C@](C)(C(C)=O)[C@@H](C)OC 687714731 572249402 /nfs/dbraw/zinc/24/94/02/572249402.db2.gz KHWJEGCCCVUULX-RKDXNWHRSA-N 0 0 174.240 1.406 10 0 ADAERN C[C@H](O)CCC(=O)NC(C)(C)C 49805120 572249413 /nfs/dbraw/zinc/24/94/13/572249413.db2.gz LAARFIJQMKXJAF-ZETCQYMHSA-N 0 0 173.256 1.062 10 0 ADAERN C/C=C/CN(CC(=O)OCC)C(C)C 49572849 572249425 /nfs/dbraw/zinc/24/94/25/572249425.db2.gz DJNWRUPLNLEVKE-FNORWQNLSA-N 0 0 199.294 1.836 10 0 ADAERN C[C@@H](O)CCC(=O)NC(C)(C)C 49805121 572249556 /nfs/dbraw/zinc/24/95/56/572249556.db2.gz LAARFIJQMKXJAF-SSDOTTSWSA-N 0 0 173.256 1.062 10 0 ADAERN CSCCN1C(=O)C[C@H](C)[C@H]1C 687714757 572249625 /nfs/dbraw/zinc/24/96/25/572249625.db2.gz OIUORCTYIXKDBE-JGVFFNPUSA-N 0 0 187.308 1.606 10 0 ADAERN C/C=C/CN(CC(=O)OC)C(C)C 49573084 572249627 /nfs/dbraw/zinc/24/96/27/572249627.db2.gz LCGUILBZWHWGCT-AATRIKPKSA-N 0 0 185.267 1.446 10 0 ADAERN O=Cc1cccn1Cc1nccs1 49534599 572249660 /nfs/dbraw/zinc/24/96/60/572249660.db2.gz SDEPOZFHAPLNKN-UHFFFAOYSA-N 0 0 192.243 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/nfs/dbraw/zinc/32/96/96/572329696.db2.gz PFDUBGSTNJNLJF-NSHDSACASA-N 0 0 194.230 1.613 10 0 ADAERN CC[C@@H](C)Cn1c(C(=O)[O-])c[nH+]c1C 83534431 572329624 /nfs/dbraw/zinc/32/96/24/572329624.db2.gz ZDSUTYPMXPCNGN-SSDOTTSWSA-N 0 0 196.250 1.936 10 0 ADAERN CC(=O)CCCC(=O)c1cccn1C 77277813 572329723 /nfs/dbraw/zinc/32/97/23/572329723.db2.gz UUYOCUHTWPJVJU-UHFFFAOYSA-N 0 0 193.246 1.967 10 0 ADAERN CCOCCCC1=C[C@H](O)CC1 83553600 572332035 /nfs/dbraw/zinc/33/20/35/572332035.db2.gz VTHJTMTURDOEGN-SNVBAGLBSA-N 0 0 170.252 1.884 10 0 ADAERN CC(=O)[C@](C)(O)[C@@H](C)OC(C)C 238202865 572329811 /nfs/dbraw/zinc/32/98/11/572329811.db2.gz UGSGJVAKQGXVCB-BDAKNGLRSA-N 0 0 174.240 1.140 10 0 ADAERN CCOc1nc(N)n(CCC(C)C)n1 86879723 572329822 /nfs/dbraw/zinc/32/98/22/572329822.db2.gz DVXIAIISPUQCPM-UHFFFAOYSA-N 0 0 198.270 1.305 10 0 ADAERN CCC(=O)C[C@H](C)OC(C)=O 238201913 572329836 /nfs/dbraw/zinc/32/98/36/572329836.db2.gz PSWYIQDXUFCCEE-LURJTMIESA-N 0 0 158.197 1.307 10 0 ADAERN CCCc1ccc([C@H](O)C(N)=O)cc1 77277823 572329906 /nfs/dbraw/zinc/32/99/06/572329906.db2.gz QONCXBYOKIRTSS-JTQLQIEISA-N 0 0 193.246 1.158 10 0 ADAERN CCC(=O)C[C@@H](O)c1ccco1 238200986 572329924 /nfs/dbraw/zinc/32/99/24/572329924.db2.gz WGCJPQWZSOKLHR-MRVPVSSYSA-N 0 0 168.192 1.682 10 0 ADAERN CC[C@@H](C)Oc1coc(CO)cc1=O 86880299 572329935 /nfs/dbraw/zinc/32/99/35/572329935.db2.gz VRLZWIDCDDDDBD-SSDOTTSWSA-N 0 0 198.218 1.309 10 0 ADAERN C[N@H+](CCC(=O)[O-])[C@H]1CCCC1(C)C 86869781 572329945 /nfs/dbraw/zinc/32/99/45/572329945.db2.gz ANJJQLJYXDODQC-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[N@H+](CCC(=O)[O-])[C@@H]1CCCC1(C)C 86869783 572330928 /nfs/dbraw/zinc/33/09/28/572330928.db2.gz ANJJQLJYXDODQC-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCOc1nc(N)n(C(CC)CC)n1 86879699 572330053 /nfs/dbraw/zinc/33/00/53/572330053.db2.gz IYEDESZIEHXONO-UHFFFAOYSA-N 0 0 198.270 1.620 10 0 ADAERN CS[C@H](CO)[C@@H](O)c1ccccc1 196376706 572331641 /nfs/dbraw/zinc/33/16/41/572331641.db2.gz 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/nfs/dbraw/zinc/33/02/60/572330260.db2.gz MLPQIPPWDJPOAK-JGVFFNPUSA-N 0 0 174.240 1.609 10 0 ADAERN COCC(=O)Cc1nc(C)c(C)s1 83533297 572330306 /nfs/dbraw/zinc/33/03/06/572330306.db2.gz WOEHTSKUNRUFJF-UHFFFAOYSA-N 0 0 199.275 1.518 10 0 ADAERN O=CNCSCc1ccccc1 238628836 572330314 /nfs/dbraw/zinc/33/03/14/572330314.db2.gz SSOBSAPLWKUCAN-UHFFFAOYSA-N 0 0 181.260 1.623 10 0 ADAERN C=C/C=C\CCCc1nncn1C 713677322 572330000 /nfs/dbraw/zinc/33/00/00/572330000.db2.gz ICEIPGXWLXEFEO-PLNGDYQASA-N 0 0 177.251 1.880 10 0 ADAERN CNCc1ncc(CC(C)(C)C)o1 83555224 572333072 /nfs/dbraw/zinc/33/30/72/572333072.db2.gz HKEVVGJPUQSTRE-UHFFFAOYSA-N 0 0 182.267 1.983 10 0 ADAERN CC(C)O[C@H]1C[C@@H]1C(=O)NC(C)(C)C 238203744 572330432 /nfs/dbraw/zinc/33/04/32/572330432.db2.gz SQTXKAHCRKJOQK-IUCAKERBSA-N 0 0 199.294 1.715 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@@H]1CCCC1(C)C 86869785 572330435 /nfs/dbraw/zinc/33/04/35/572330435.db2.gz XYVCFTMKPCPYAY-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCCCn1c(C(=O)OC)cnc1C 83534366 572330452 /nfs/dbraw/zinc/33/04/52/572330452.db2.gz ANVFAZFEJUVELF-UHFFFAOYSA-N 0 0 196.250 1.778 10 0 ADAERN O[C@H]1CCCC[C@H]1Nc1ccncn1 52005971 572330484 /nfs/dbraw/zinc/33/04/84/572330484.db2.gz WCPBLMHVHCLPQX-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nc1ccncn1 52005980 572330502 /nfs/dbraw/zinc/33/05/02/572330502.db2.gz WCPBLMHVHCLPQX-DTWKUNHWSA-N 0 0 193.250 1.192 10 0 ADAERN CCOCCCOc1cccnc1N 83550076 572330512 /nfs/dbraw/zinc/33/05/12/572330512.db2.gz WFVNWHCDXAUVRF-UHFFFAOYSA-N 0 0 196.250 1.469 10 0 ADAERN CCOCC(=O)CCOC(C)C 393488259 572330576 /nfs/dbraw/zinc/33/05/76/572330576.db2.gz UEPQNQDTOGHDOR-UHFFFAOYSA-N 0 0 174.240 1.407 10 0 ADAERN C=COCC(C)(CO)COC=C 238203536 572330516 /nfs/dbraw/zinc/33/05/16/572330516.db2.gz MPGVQRMJHWAHBM-UHFFFAOYSA-N 0 0 172.224 1.305 10 0 ADAERN COC(OC)c1ccnc(=S)[nH]1 59974404 572330525 /nfs/dbraw/zinc/33/05/25/572330525.db2.gz PCXZVJZHPCQDTC-UHFFFAOYSA-N 0 0 186.236 1.057 10 0 ADAERN CC(C)O[C@H](CO)c1ccco1 238203117 572330568 /nfs/dbraw/zinc/33/05/68/572330568.db2.gz GHNVXYFQLGJXKH-SECBINFHSA-N 0 0 170.208 1.738 10 0 ADAERN COCCCC1=C[C@H](O)CCC1 83545651 572330581 /nfs/dbraw/zinc/33/05/81/572330581.db2.gz FBBBVQXKNPRMAE-SNVBAGLBSA-N 0 0 170.252 1.884 10 0 ADAERN C/C=C\[C@H](O)C[C@@H]1COC(C)(C)O1 210282751 572330612 /nfs/dbraw/zinc/33/06/12/572330612.db2.gz MTYXJTCJEKDCDS-CGECUYNFSA-N 0 0 186.251 1.465 10 0 ADAERN CCC(=O)Cc1ccccc1C(N)=O 238203172 572330625 /nfs/dbraw/zinc/33/06/25/572330625.db2.gz XWXKTKGTHNEYGW-UHFFFAOYSA-N 0 0 191.230 1.307 10 0 ADAERN CC(=O)OC[C@@](C)(C(C)C)[C@@H](C)O 238203451 572330669 /nfs/dbraw/zinc/33/06/69/572330669.db2.gz XCRKYPYTMFZSPT-SCZZXKLOSA-N 0 0 188.267 1.593 10 0 ADAERN CCC(C)(C)Cn1cnccc1=O 713239389 572330682 /nfs/dbraw/zinc/33/06/82/572330682.db2.gz IUKIOJDJVFXXET-UHFFFAOYSA-N 0 0 180.251 1.680 10 0 ADAERN CC[C@H](C)Cn1c(C(=O)[O-])c[nH+]c1C 83534432 572330686 /nfs/dbraw/zinc/33/06/86/572330686.db2.gz ZDSUTYPMXPCNGN-ZETCQYMHSA-N 0 0 196.250 1.936 10 0 ADAERN COC(=O)c1cnc(C)n1CC(C)C 83534384 572330720 /nfs/dbraw/zinc/33/07/20/572330720.db2.gz OVGMAQFRMFMGAA-UHFFFAOYSA-N 0 0 196.250 1.634 10 0 ADAERN CCOC(=O)C1[C@@H](C)[C@@H]1C 196410526 572330725 /nfs/dbraw/zinc/33/07/25/572330725.db2.gz GIGHGCMJPURZJA-WDSKDSINSA-N 0 0 142.198 1.452 10 0 ADAERN CCCCn1c(C(=O)[O-])c[nH+]c1C 83534428 572330806 /nfs/dbraw/zinc/33/08/06/572330806.db2.gz JFDIHTYYGYYQSU-UHFFFAOYSA-N 0 0 182.223 1.690 10 0 ADAERN CCn1nc(C)c(CNOC)c1C 307977734 572330822 /nfs/dbraw/zinc/33/08/22/572330822.db2.gz CHEOIRUTYLGGLL-UHFFFAOYSA-N 0 0 183.255 1.171 10 0 ADAERN COC1CC(O)(C(C)(C)C)C1 234671592 572330846 /nfs/dbraw/zinc/33/08/46/572330846.db2.gz RAHQAASTCUPDOX-UHFFFAOYSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@]1(C)[C@@H](C(=O)[O-])CC[N@@H+]1C 107163403 572330914 /nfs/dbraw/zinc/33/09/14/572330914.db2.gz RLOQXTOGDOFLSV-VXNVDRBHSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1nc(C=O)c2n1C[C@H](C)CC2 107166699 572330896 /nfs/dbraw/zinc/33/08/96/572330896.db2.gz ZAVQXSIRKCWWPR-SSDOTTSWSA-N 0 0 178.235 1.586 10 0 ADAERN COC(=O)c1cnc(C)n1CC1CC1 83534374 572330915 /nfs/dbraw/zinc/33/09/15/572330915.db2.gz FQOGYIRFSJKHPX-UHFFFAOYSA-N 0 0 194.234 1.388 10 0 ADAERN C/C=C/C(=O)N(C)[C@@H](C)COC 88262329 572330951 /nfs/dbraw/zinc/33/09/51/572330951.db2.gz VUPCHUBCYAKVQS-GJIOHYHPSA-N 0 0 171.240 1.056 10 0 ADAERN CC[C@@H]1C(=O)NN[C@@]12CCC(C)(C)C2 714368318 572330993 /nfs/dbraw/zinc/33/09/93/572330993.db2.gz MEKXECBNOINYNK-LDYMZIIASA-N 0 0 196.294 1.596 10 0 ADAERN COCC(O)(COC)CC(C)(C)C 713239200 572331001 /nfs/dbraw/zinc/33/10/01/572331001.db2.gz AMVCYSRIYPZLLH-UHFFFAOYSA-N 0 0 190.283 1.447 10 0 ADAERN CCO[C@H]1C[C@H]1NCc1conc1C 393488112 572331018 /nfs/dbraw/zinc/33/10/18/572331018.db2.gz MFNLPFQEQCSGLV-ZJUUUORDSA-N 0 0 196.250 1.250 10 0 ADAERN C=C/C=C/CCCc1nncn1C 713677323 572331019 /nfs/dbraw/zinc/33/10/19/572331019.db2.gz ICEIPGXWLXEFEO-SNAWJCMRSA-N 0 0 177.251 1.880 10 0 ADAERN O=C([O-])CCCC1=CC[NH2+]CC1 238622163 572331063 /nfs/dbraw/zinc/33/10/63/572331063.db2.gz CYOBSUVLWDDLDT-UHFFFAOYSA-N 0 0 169.224 1.161 10 0 ADAERN CO[C@H](C)C(=O)O[C@H](C)C(C)C 307977834 572331101 /nfs/dbraw/zinc/33/11/01/572331101.db2.gz MLPQIPPWDJPOAK-HTQZYQBOSA-N 0 0 174.240 1.609 10 0 ADAERN COC1CC(O)(CC(C)C)C1 234672143 572331124 /nfs/dbraw/zinc/33/11/24/572331124.db2.gz DMLAZWZYSNOGRY-UHFFFAOYSA-N 0 0 158.241 1.572 10 0 ADAERN CCCOc1cccc(C(=O)CN)c1 83553823 572331164 /nfs/dbraw/zinc/33/11/64/572331164.db2.gz HNCFMJDEACQGCO-UHFFFAOYSA-N 0 0 193.246 1.617 10 0 ADAERN O=CNCC(=O)Sc1ccccc1 238627688 572331227 /nfs/dbraw/zinc/33/12/27/572331227.db2.gz LNVUIYRIVKGLCE-UHFFFAOYSA-N 0 0 195.243 1.051 10 0 ADAERN CCOCc1cnc([C@H](C)N)o1 83554664 572331214 /nfs/dbraw/zinc/33/12/14/572331214.db2.gz AUNZCQDXCFOHFF-LURJTMIESA-N 0 0 170.212 1.231 10 0 ADAERN CCOc1nc(N)n([C@H](C)C2CC2)n1 86879710 572331254 /nfs/dbraw/zinc/33/12/54/572331254.db2.gz OJSZQEYVESZPOE-ZCFIWIBFSA-N 0 0 196.254 1.230 10 0 ADAERN NCc1ncc(CC[C@H]2CCCO2)o1 83554527 572331273 /nfs/dbraw/zinc/33/12/73/572331273.db2.gz KLDARCQVJUXFAM-MRVPVSSYSA-N 0 0 196.250 1.245 10 0 ADAERN Nc1cccc(/C=C2\CCOC2=O)c1 238635261 572333096 /nfs/dbraw/zinc/33/30/96/572333096.db2.gz LPWISIFQVLUMOI-RMKNXTFCSA-N 0 0 189.214 1.599 10 0 ADAERN CC[C@H]1C(=O)NN[C@@]12CCC(C)(C)C2 714368310 572331321 /nfs/dbraw/zinc/33/13/21/572331321.db2.gz MEKXECBNOINYNK-GZMMTYOYSA-N 0 0 196.294 1.596 10 0 ADAERN C/C=C/C(=O)N(CCOC)[C@H](C)CC 88262261 572331322 /nfs/dbraw/zinc/33/13/22/572331322.db2.gz PMKROEIWFYLJET-BREXMAIKSA-N 0 0 199.294 1.836 10 0 ADAERN CCCC[C@@H](CC)NN 60041871 572331330 /nfs/dbraw/zinc/33/13/30/572331330.db2.gz XYZRRSDGHPVLDB-SSDOTTSWSA-N 0 0 130.235 1.419 10 0 ADAERN CCC(CC)(C(=O)[O-])C(C)(C)[NH3+] 238202896 572331334 /nfs/dbraw/zinc/33/13/34/572331334.db2.gz OWEKSJWJLBXAHU-UHFFFAOYSA-N 0 0 173.256 1.615 10 0 ADAERN CCOCCCC[C@@H](O)COC 83552709 572331342 /nfs/dbraw/zinc/33/13/42/572331342.db2.gz MQYBGELSZFKAGR-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN CCCC1CC2(C1)CC(CO)(CO)C2 238203246 572331371 /nfs/dbraw/zinc/33/13/71/572331371.db2.gz DILHKEWHVTUOPV-UHFFFAOYSA-N 0 0 198.306 1.948 10 0 ADAERN CO[C@@H]1CC[C@H](Nc2ccncn2)C1 234979823 572331383 /nfs/dbraw/zinc/33/13/83/572331383.db2.gz RMAMTRJEGIPTJP-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN CCOCCCCC(=O)COC 83551955 572331385 /nfs/dbraw/zinc/33/13/85/572331385.db2.gz JCCMPPVBNWRWPD-UHFFFAOYSA-N 0 0 174.240 1.409 10 0 ADAERN O=CNCCC(=O)c1cccs1 238627882 572331400 /nfs/dbraw/zinc/33/14/00/572331400.db2.gz DAZFCPSWMKODEO-UHFFFAOYSA-N 0 0 183.232 1.067 10 0 ADAERN NC(=O)c1cccc(C(F)F)n1 238624999 572331404 /nfs/dbraw/zinc/33/14/04/572331404.db2.gz LXPZOKZPSRIBAS-UHFFFAOYSA-N 0 0 172.134 1.118 10 0 ADAERN CCCOCCc1cnc([C@@H](C)N)o1 83554580 572331410 /nfs/dbraw/zinc/33/14/10/572331410.db2.gz REBDWJDVOBPYQN-MRVPVSSYSA-N 0 0 198.266 1.663 10 0 ADAERN COC[C@@H](C)Nc1cc(C)cnn1 234670978 572331454 /nfs/dbraw/zinc/33/14/54/572331454.db2.gz KAILRCMXHCDJQV-MRVPVSSYSA-N 0 0 181.239 1.232 10 0 ADAERN CC(C)CCc1cnc(CN)o1 83554441 572331479 /nfs/dbraw/zinc/33/14/79/572331479.db2.gz WVXDYQMNFJGONI-UHFFFAOYSA-N 0 0 168.240 1.722 10 0 ADAERN O[C@H]1CCCC[C@@H]1n1cccc1 52008845 572331487 /nfs/dbraw/zinc/33/14/87/572331487.db2.gz UYHXANMUXVCQNI-UWVGGRQHSA-N 0 0 165.236 1.964 10 0 ADAERN CO[C@@H](C)C(=O)O[C@H](C)C(C)C 307977836 572331498 /nfs/dbraw/zinc/33/14/98/572331498.db2.gz MLPQIPPWDJPOAK-SFYZADRCSA-N 0 0 174.240 1.609 10 0 ADAERN CCOCCC[C@@H]1CC[C@@H](O)C1 83553562 572331527 /nfs/dbraw/zinc/33/15/27/572331527.db2.gz MQQIREILEUFVKM-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H](NN)C1C2CC3CC(C2)CC1C3 60025163 572331557 /nfs/dbraw/zinc/33/15/57/572331557.db2.gz IJBIRENSOCQRGN-ZJGSIPCCSA-N 0 0 194.322 1.911 10 0 ADAERN CC(=O)OC[C@@H](C)C(=O)C(C)C 238202315 572331562 /nfs/dbraw/zinc/33/15/62/572331562.db2.gz ZMWVORUXSHOWBC-SSDOTTSWSA-N 0 0 172.224 1.411 10 0 ADAERN C[C@H](O)/C=C\C=C\C=C\[C@H](C)O 307979451 572331600 /nfs/dbraw/zinc/33/16/00/572331600.db2.gz MQZFHDYCGSRNBT-GLMSSBBCSA-N 0 0 168.236 1.417 10 0 ADAERN NC(=O)[C@@H]1C[C@@H]1COc1ccccc1 238621881 572331624 /nfs/dbraw/zinc/33/16/24/572331624.db2.gz QGGNQNYQRTXWKF-PSASIEDQSA-N 0 0 191.230 1.187 10 0 ADAERN COCc1csc(CCCO)n1 307979509 572331628 /nfs/dbraw/zinc/33/16/28/572331628.db2.gz NVVWJYZNLVQYDW-UHFFFAOYSA-N 0 0 187.264 1.214 10 0 ADAERN CCCCNC(=O)c1cncc(N)c1 77277908 572331568 /nfs/dbraw/zinc/33/15/68/572331568.db2.gz NIDIZVCKDKAWFC-UHFFFAOYSA-N 0 0 193.250 1.194 10 0 ADAERN CC(C)O[P@@](C)(=O)NCCCO 238204957 572331579 /nfs/dbraw/zinc/33/15/79/572331579.db2.gz SAWULTOQVISRIY-GFCCVEGCSA-N 0 0 195.199 1.206 10 0 ADAERN CNCc1ncc(CCC(C)C)o1 83555146 572331587 /nfs/dbraw/zinc/33/15/87/572331587.db2.gz VBNPWZQMZOSYEK-UHFFFAOYSA-N 0 0 182.267 1.983 10 0 ADAERN CC(CO)(CO)CCc1ccccc1 238202793 572331655 /nfs/dbraw/zinc/33/16/55/572331655.db2.gz OSGAAKXDYCPORN-UHFFFAOYSA-N 0 0 194.274 1.610 10 0 ADAERN CCOCCC[C@H](C)[C@@H](C)O 83552661 572331678 /nfs/dbraw/zinc/33/16/78/572331678.db2.gz ZVBCAGTUQZIZDM-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CCCOCCc1cnc(CN)o1 83554431 572331740 /nfs/dbraw/zinc/33/17/40/572331740.db2.gz XBYJWWKHFVHEOM-UHFFFAOYSA-N 0 0 184.239 1.102 10 0 ADAERN CCOc1nc(N)n([C@@H](C)CC)n1 86879694 572331757 /nfs/dbraw/zinc/33/17/57/572331757.db2.gz HHPQKYLAOHGYAB-LURJTMIESA-N 0 0 184.243 1.230 10 0 ADAERN O[C@@H]1CCCC[C@H]1n1cccc1 52008848 572331768 /nfs/dbraw/zinc/33/17/68/572331768.db2.gz UYHXANMUXVCQNI-NXEZZACHSA-N 0 0 165.236 1.964 10 0 ADAERN CC[C@H](C)c1cnc(CNC)o1 83555196 572331790 /nfs/dbraw/zinc/33/17/90/572331790.db2.gz MEVTXKMJTMVCJO-ZETCQYMHSA-N 0 0 168.240 1.908 10 0 ADAERN CC(=O)OC[C@@](C)(C(C)C)[C@H](C)O 238203467 572331837 /nfs/dbraw/zinc/33/18/37/572331837.db2.gz XCRKYPYTMFZSPT-WPRPVWTQSA-N 0 0 188.267 1.593 10 0 ADAERN O[C@H]1C[C@@H]2C=CCC[C@@H]2O1 60018675 572331840 /nfs/dbraw/zinc/33/18/40/572331840.db2.gz LSWTTYBLTMRSJN-BIIVOSGPSA-N 0 0 140.182 1.060 10 0 ADAERN CCOC(=O)C1[C@H](C)[C@H]1C 196410535 572331841 /nfs/dbraw/zinc/33/18/41/572331841.db2.gz GIGHGCMJPURZJA-PHDIDXHHSA-N 0 0 142.198 1.452 10 0 ADAERN CCC(=O)Cc1cc(CC)on1 238203057 572331855 /nfs/dbraw/zinc/33/18/55/572331855.db2.gz RQDGRSOKRLOFIQ-UHFFFAOYSA-N 0 0 167.208 1.759 10 0 ADAERN O=C(CCCOC1CC1)OC1CC1 238633454 572333143 /nfs/dbraw/zinc/33/31/43/572333143.db2.gz BZCAINKISYHVBV-UHFFFAOYSA-N 0 0 184.235 1.651 10 0 ADAERN CC(C)Oc1cccc(C(=O)CN)c1 83553802 572333145 /nfs/dbraw/zinc/33/31/45/572333145.db2.gz LCPPNKTWMPPYJU-UHFFFAOYSA-N 0 0 193.246 1.615 10 0 ADAERN COC[C@@H](C)Nc1cc(N)ns1 234671932 572331971 /nfs/dbraw/zinc/33/19/71/572331971.db2.gz HCYLOOVXSTYNEM-RXMQYKEDSA-N 0 0 187.268 1.172 10 0 ADAERN CNCc1ncc(CC(F)(F)F)o1 83555171 572332058 /nfs/dbraw/zinc/33/20/58/572332058.db2.gz WGBNXVIKSCJOCE-UHFFFAOYSA-N 0 0 194.156 1.499 10 0 ADAERN CCC(CC)(C(N)=O)C(=O)CC(C)C 238202356 572332063 /nfs/dbraw/zinc/33/20/63/572332063.db2.gz CAHWLLZPYIHDNC-UHFFFAOYSA-N 0 0 199.294 1.893 10 0 ADAERN CCOc1nc(N)n([C@@H](C)C2CC2)n1 86879709 572332078 /nfs/dbraw/zinc/33/20/78/572332078.db2.gz OJSZQEYVESZPOE-LURJTMIESA-N 0 0 196.254 1.230 10 0 ADAERN CCNCc1ncc([C@@H]2CCCO2)o1 83555404 572332084 /nfs/dbraw/zinc/33/20/84/572332084.db2.gz WLYWCGNIZUMZJI-QMMMGPOBSA-N 0 0 196.250 1.636 10 0 ADAERN CCOCCCn1cc(C=O)cn1 83553156 572332091 /nfs/dbraw/zinc/33/20/91/572332091.db2.gz PIGXPWSOQUJVEC-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN C/C=C/C(=O)N(C)[C@H](C)COC 88262332 572333161 /nfs/dbraw/zinc/33/31/61/572333161.db2.gz VUPCHUBCYAKVQS-HQZHTGGTSA-N 0 0 171.240 1.056 10 0 ADAERN NCc1ncc(CC[C@@H]2CCCO2)o1 83554526 572332174 /nfs/dbraw/zinc/33/21/74/572332174.db2.gz KLDARCQVJUXFAM-QMMMGPOBSA-N 0 0 196.250 1.245 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@H]1CCCC1(C)C 86869786 572332203 /nfs/dbraw/zinc/33/22/03/572332203.db2.gz XYVCFTMKPCPYAY-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN O[C@@H]1CCCC[C@H]1Nc1ccncn1 52005977 572332487 /nfs/dbraw/zinc/33/24/87/572332487.db2.gz WCPBLMHVHCLPQX-RKDXNWHRSA-N 0 0 193.250 1.192 10 0 ADAERN [NH3+][C@H](CC1CC1)c1ccc(CO)cn1 238634584 572332244 /nfs/dbraw/zinc/33/22/44/572332244.db2.gz SZSWVWOWWQCHEL-SNVBAGLBSA-N 0 0 192.262 1.374 10 0 ADAERN CCOCCCC[C@H](C)CO 83553585 572332247 /nfs/dbraw/zinc/33/22/47/572332247.db2.gz YYGMPYFLNKPSQS-VIFPVBQESA-N 0 0 160.257 1.822 10 0 ADAERN CCOCCc1cnc([C@H](C)N)o1 83554690 572332260 /nfs/dbraw/zinc/33/22/60/572332260.db2.gz DHVNIFFZXSRXGA-ZETCQYMHSA-N 0 0 184.239 1.273 10 0 ADAERN CC[C@@H](C)c1cnc(CNC)o1 83555194 572332322 /nfs/dbraw/zinc/33/23/22/572332322.db2.gz MEVTXKMJTMVCJO-SSDOTTSWSA-N 0 0 168.240 1.908 10 0 ADAERN CNCc1ncc(C[C@H]2CCCO2)o1 83555249 572332362 /nfs/dbraw/zinc/33/23/62/572332362.db2.gz AZNABWUNFPRQAP-MRVPVSSYSA-N 0 0 196.250 1.116 10 0 ADAERN C=C=CCC[C@@H](O)CC(=O)CC 238202395 572332363 /nfs/dbraw/zinc/33/23/63/572332363.db2.gz AZQSKKDIKCJBJA-SNVBAGLBSA-N 0 0 168.236 1.838 10 0 ADAERN CC(=O)[C@@](C)(O)[C@@H](C)OC(C)C 238202910 572332365 /nfs/dbraw/zinc/33/23/65/572332365.db2.gz UGSGJVAKQGXVCB-RKDXNWHRSA-N 0 0 174.240 1.140 10 0 ADAERN COc1ccc(F)c(OC)c1OC 196404963 572332377 /nfs/dbraw/zinc/33/23/77/572332377.db2.gz QMDQTYQAHDGHTF-UHFFFAOYSA-N 0 0 186.182 1.852 10 0 ADAERN CCC(CC)(CC)C(=O)NC(C)=O 238204669 572332378 /nfs/dbraw/zinc/33/23/78/572332378.db2.gz IXKWCZSQRMLUDN-UHFFFAOYSA-N 0 0 185.267 1.866 10 0 ADAERN OC/C=C/C=C/CO[C@H]1CCCCO1 238630164 572332408 /nfs/dbraw/zinc/33/24/08/572332408.db2.gz XBJANOUWUZIGDB-RRGSFIKMSA-N 0 0 198.262 1.634 10 0 ADAERN CCOCCCC1=C[C@@H](O)CC1 83553601 572332424 /nfs/dbraw/zinc/33/24/24/572332424.db2.gz VTHJTMTURDOEGN-JTQLQIEISA-N 0 0 170.252 1.884 10 0 ADAERN CCC(CC)n1nc(OC)nc1N 86879697 572332437 /nfs/dbraw/zinc/33/24/37/572332437.db2.gz NSUODRLAIYNTKY-UHFFFAOYSA-N 0 0 184.243 1.230 10 0 ADAERN OC/C=C/C=C/CC/C=C/CO 238631620 572332453 /nfs/dbraw/zinc/33/24/53/572332453.db2.gz DZOPXNRTXULSKQ-QKQGKJMTSA-N 0 0 168.236 1.420 10 0 ADAERN CCC(=O)C[C@H](O)c1ccco1 238202514 572332474 /nfs/dbraw/zinc/33/24/74/572332474.db2.gz WGCJPQWZSOKLHR-QMMMGPOBSA-N 0 0 168.192 1.682 10 0 ADAERN CCNCc1ncc([C@H]2CCCO2)o1 83555405 572332494 /nfs/dbraw/zinc/33/24/94/572332494.db2.gz WLYWCGNIZUMZJI-MRVPVSSYSA-N 0 0 196.250 1.636 10 0 ADAERN CCCOCCc1cnc([C@H](C)N)o1 83554581 572332505 /nfs/dbraw/zinc/33/25/05/572332505.db2.gz REBDWJDVOBPYQN-QMMMGPOBSA-N 0 0 198.266 1.663 10 0 ADAERN CC(C)CCCCNN 60020400 572332550 /nfs/dbraw/zinc/33/25/50/572332550.db2.gz DXDQKXRMQMSXSB-UHFFFAOYSA-N 0 0 130.235 1.276 10 0 ADAERN CCOCCC[C@H](C)[C@H](C)O 83552665 572332553 /nfs/dbraw/zinc/33/25/53/572332553.db2.gz ZVBCAGTUQZIZDM-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN CCOCCC[C@H]1CC[C@H](O)C1 83553561 572332556 /nfs/dbraw/zinc/33/25/56/572332556.db2.gz MQQIREILEUFVKM-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCCn1nc(OCC)nc1N 86879682 572332567 /nfs/dbraw/zinc/33/25/67/572332567.db2.gz IBFFZMRHMRXNAJ-UHFFFAOYSA-N 0 0 184.243 1.059 10 0 ADAERN CCCCc1cnc(CNC)o1 83555206 572332662 /nfs/dbraw/zinc/33/26/62/572332662.db2.gz LGKNPJXPHSFFAW-UHFFFAOYSA-N 0 0 168.240 1.737 10 0 ADAERN CCOCCCn1cc(C(C)=O)cn1 83553155 572332750 /nfs/dbraw/zinc/33/27/50/572332750.db2.gz FUJIPJIHVZIKKC-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN CCOCCC[C@@H](C)[C@@H](C)O 83552660 572332753 /nfs/dbraw/zinc/33/27/53/572332753.db2.gz ZVBCAGTUQZIZDM-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN OC/C=C/[C@@H](CO)c1ccccc1 238633403 572332756 /nfs/dbraw/zinc/33/27/56/572332756.db2.gz QRAWJGKMUHAIMU-ZPMKCOPCSA-N 0 0 178.231 1.311 10 0 ADAERN CCCCN(CCCC)OCCO 238204692 572332805 /nfs/dbraw/zinc/33/28/05/572332805.db2.gz WAJVOGNIHXTPET-UHFFFAOYSA-N 0 0 189.299 1.813 10 0 ADAERN CCO[C@H]1C[C@@H]1NCc1conc1C 393488106 572332813 /nfs/dbraw/zinc/33/28/13/572332813.db2.gz MFNLPFQEQCSGLV-UWVGGRQHSA-N 0 0 196.250 1.250 10 0 ADAERN CCOCCC[C@@H]1CC[C@H](O)C1 83553560 572332837 /nfs/dbraw/zinc/33/28/37/572332837.db2.gz MQQIREILEUFVKM-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CCOCCCn1cc([C@@H](C)O)cn1 83553178 572332842 /nfs/dbraw/zinc/33/28/42/572332842.db2.gz HPGALKZRCQGAFN-SECBINFHSA-N 0 0 198.266 1.363 10 0 ADAERN CONCCCc1ccncc1 307979229 572332876 /nfs/dbraw/zinc/33/28/76/572332876.db2.gz NRVFXQXINXBXBN-UHFFFAOYSA-N 0 0 166.224 1.165 10 0 ADAERN CCCN(C(=O)NOC)C1CC1 307980806 572332934 /nfs/dbraw/zinc/33/29/34/572332934.db2.gz OPNWSNKUCGAFRN-UHFFFAOYSA-N 0 0 172.228 1.132 10 0 ADAERN CCOCCCC[C@H](O)COC 83552706 572332941 /nfs/dbraw/zinc/33/29/41/572332941.db2.gz MQYBGELSZFKAGR-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN CCO[C@@H]1C[C@@H]1NCc1conc1C 393488109 572332953 /nfs/dbraw/zinc/33/29/53/572332953.db2.gz MFNLPFQEQCSGLV-VHSXEESVSA-N 0 0 196.250 1.250 10 0 ADAERN CCOCCc1cnc([C@@H](C)N)o1 83554689 572332711 /nfs/dbraw/zinc/33/27/11/572332711.db2.gz DHVNIFFZXSRXGA-SSDOTTSWSA-N 0 0 184.239 1.273 10 0 ADAERN COC(=O)[C@@H]([C@@H](C)O)C(C)(C)C 307979391 572332713 /nfs/dbraw/zinc/33/27/13/572332713.db2.gz MHADZWDRGXLIQS-RNFRBKRXSA-N 0 0 174.240 1.203 10 0 ADAERN CCOCCCC[C@@H](C)CO 83553584 572332994 /nfs/dbraw/zinc/33/29/94/572332994.db2.gz YYGMPYFLNKPSQS-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN COC(=O)[C@@H]([C@H](C)O)C(C)(C)C 307979390 572333200 /nfs/dbraw/zinc/33/32/00/572333200.db2.gz MHADZWDRGXLIQS-NKWVEPMBSA-N 0 0 174.240 1.203 10 0 ADAERN C=Cc1ccc([C@H]([NH3+])CC(=O)[O-])cc1 238624711 572333203 /nfs/dbraw/zinc/33/32/03/572333203.db2.gz AEAAVXOSJDFTAE-SNVBAGLBSA-N 0 0 191.230 1.804 10 0 ADAERN CCOCCC[C@H]1CC[C@@H](O)C1 83553563 572333051 /nfs/dbraw/zinc/33/30/51/572333051.db2.gz MQQIREILEUFVKM-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCOCCC[C@H]1CCC[C@H]1O 83552644 572333210 /nfs/dbraw/zinc/33/32/10/572333210.db2.gz KDNFJAIOUDXEQJ-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CCNCc1ncc(COCC)o1 83555386 572333425 /nfs/dbraw/zinc/33/34/25/572333425.db2.gz XZQUTTBBWBNBMY-UHFFFAOYSA-N 0 0 184.239 1.321 10 0 ADAERN COC1CC([C@H](O)C(C)C)C1 234675611 572333427 /nfs/dbraw/zinc/33/34/27/572333427.db2.gz RBANHODBYMDFRV-AMDVSUOASA-N 0 0 158.241 1.428 10 0 ADAERN Cc1nc(COCC2CC2)no1 349603393 572333437 /nfs/dbraw/zinc/33/34/37/572333437.db2.gz KPQSIIXZNQQSMH-UHFFFAOYSA-N 0 0 168.196 1.305 10 0 ADAERN CCOCCC[C@@H](C)[C@H](C)O 83552663 572333466 /nfs/dbraw/zinc/33/34/66/572333466.db2.gz ZVBCAGTUQZIZDM-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CCOCCCn1ccc(C)n1 83553314 572333502 /nfs/dbraw/zinc/33/35/02/572333502.db2.gz RSODIJWKIWDHFL-UHFFFAOYSA-N 0 0 168.240 1.618 10 0 ADAERN CC[Si](C)(CC)/C(=C\CO)CO 307979392 572333512 /nfs/dbraw/zinc/33/35/12/572333512.db2.gz MHQJBAWOXWQDBU-TWGQIWQCSA-N 0 0 188.343 1.555 10 0 ADAERN CCOCCCn1nccc1C 83553315 572333530 /nfs/dbraw/zinc/33/35/30/572333530.db2.gz FUMYOMAMNNSOMQ-UHFFFAOYSA-N 0 0 168.240 1.618 10 0 ADAERN CC[C@@H]([NH3+])CS/C=C/C(=O)[O-] 86897278 572333541 /nfs/dbraw/zinc/33/35/41/572333541.db2.gz UVJHQNAFDSUCBW-FCJGRKLLSA-N 0 0 175.253 1.055 10 0 ADAERN CNCc1ncc(C[C@@H]2CCCO2)o1 83555247 572333542 /nfs/dbraw/zinc/33/35/42/572333542.db2.gz AZNABWUNFPRQAP-QMMMGPOBSA-N 0 0 196.250 1.116 10 0 ADAERN COCCC[C@H](O)[Si](C)(C)C 196457164 572333492 /nfs/dbraw/zinc/33/34/92/572333492.db2.gz WLTGKRSLNQMVOK-MRVPVSSYSA-N 0 0 176.332 1.651 10 0 ADAERN 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HFVRLFXYMHNCKA-GORDUTHDSA-N 0 0 196.231 1.255 10 0 ADAERN COCCC[C@@H](O)[Si](C)(C)C 196457153 572335406 /nfs/dbraw/zinc/33/54/06/572335406.db2.gz WLTGKRSLNQMVOK-QMMMGPOBSA-N 0 0 176.332 1.651 10 0 ADAERN COCc1nc([C@@H](C)C(C)C)no1 349604306 572335407 /nfs/dbraw/zinc/33/54/07/572335407.db2.gz QUHRYDORMGPKNV-ZETCQYMHSA-N 0 0 184.239 1.976 10 0 ADAERN C[C@H]([NH3+])CCS/C=C/C(=O)[O-] 86897241 572335412 /nfs/dbraw/zinc/33/54/12/572335412.db2.gz JYWBSAQKZZRALO-QVQDZQDPSA-N 0 0 175.253 1.055 10 0 ADAERN CCCc1cnc(CNC2CC2)o1 83555722 572335436 /nfs/dbraw/zinc/33/54/36/572335436.db2.gz YUZUXDQVRQEFAJ-UHFFFAOYSA-N 0 0 180.251 1.879 10 0 ADAERN COC(=O)/C=C/Sc1ncccn1 86896688 572335447 /nfs/dbraw/zinc/33/54/47/572335447.db2.gz WCDBKKGAMKLZIT-ZZXKWVIFSA-N 0 0 196.231 1.255 10 0 ADAERN CC(=O)[C@H](O)CSc1ccccc1 238206830 572335461 /nfs/dbraw/zinc/33/54/61/572335461.db2.gz BXRSUNJOLGJLLF-SNVBAGLBSA-N 0 0 196.271 1.729 10 0 ADAERN CCCCNC(=CC(N)=O)[C@H](C)CC 238207342 572335479 /nfs/dbraw/zinc/33/54/79/572335479.db2.gz FYUFWFCDHDZIRD-URLRMUCDSA-N 0 0 198.310 1.791 10 0 ADAERN CCC(O)(CC)[C@@H](C)NC(C)=O 238206856 572335506 /nfs/dbraw/zinc/33/55/06/572335506.db2.gz JOPKQVHVKDXCSQ-SSDOTTSWSA-N 0 0 173.256 1.062 10 0 ADAERN C[C@@H]([NH3+])c1cc(C(C)(C)C)nn1C 107170034 572335510 /nfs/dbraw/zinc/33/55/10/572335510.db2.gz SACRVQLCBXWJBP-SSDOTTSWSA-N 0 0 181.283 1.737 10 0 ADAERN CCOCc1cnc([C@@H](C)NC)o1 83556265 572335517 /nfs/dbraw/zinc/33/55/17/572335517.db2.gz PJGYPGNSYCZHEL-SSDOTTSWSA-N 0 0 184.239 1.492 10 0 ADAERN CO[C@H]1CCN(c2cccc(N)c2)C1 234987702 572335522 /nfs/dbraw/zinc/33/55/22/572335522.db2.gz CCKBLVUQVYEEQT-NSHDSACASA-N 0 0 192.262 1.494 10 0 ADAERN CCc1cnc(CNC2CC2)o1 83555760 572335549 /nfs/dbraw/zinc/33/55/49/572335549.db2.gz YTCIVHHEJRAUBT-UHFFFAOYSA-N 0 0 166.224 1.489 10 0 ADAERN CO[C@@H]1CC[C@H](Nc2nc(C)no2)C1 234982143 572335578 /nfs/dbraw/zinc/33/55/78/572335578.db2.gz DHPGGPHCCCQYQM-JGVFFNPUSA-N 0 0 197.238 1.357 10 0 ADAERN CC(=O)[C@@H](C)[C@H](CC(N)=O)C(C)C 238208247 572335593 /nfs/dbraw/zinc/33/55/93/572335593.db2.gz ICFDMFYIYWTMMV-VXNVDRBHSA-N 0 0 185.267 1.359 10 0 ADAERN CCCC[C@H](CC)[C@H]([NH3+])C(=O)OC 238208241 572335600 /nfs/dbraw/zinc/33/56/00/572335600.db2.gz RHELJHDZEIXNHV-IUCAKERBSA-N 0 0 187.283 1.703 10 0 ADAERN C[C@H](O)/C=C\C[C@H]1CCCCO1 307981414 572335674 /nfs/dbraw/zinc/33/56/74/572335674.db2.gz ORUYQPUNGDQEDV-YVDHIRPGSA-N 0 0 170.252 1.883 10 0 ADAERN CC(=O)c1nsnc1Cl 60131095 572335693 /nfs/dbraw/zinc/33/56/93/572335693.db2.gz NDLJOMHYOQAUES-UHFFFAOYSA-N 0 0 162.601 1.394 10 0 ADAERN CC(=O)CC/C(C)=C(/C)C(N)=O 60155192 572335714 /nfs/dbraw/zinc/33/57/14/572335714.db2.gz IVZFEYGRCQPZOC-VURMDHGXSA-N 0 0 169.224 1.177 10 0 ADAERN COc1ccccc1[C@@H](C)NC=O 60176184 572335723 /nfs/dbraw/zinc/33/57/23/572335723.db2.gz CZTBFSLUUZCVIO-MRVPVSSYSA-N 0 0 179.219 1.502 10 0 ADAERN CC/C(=C\C1CCOCC1)[N+](=O)[O-] 52176223 572335731 /nfs/dbraw/zinc/33/57/31/572335731.db2.gz AZVVKJYNONINPI-VQHVLOKHSA-N 0 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/nfs/dbraw/zinc/33/58/12/572335812.db2.gz OUFNJHIAGBEBLW-PLNGDYQASA-N 0 0 167.252 1.821 10 0 ADAERN c1nc(CNC2CC2)oc1C1CC1 83555733 572335849 /nfs/dbraw/zinc/33/58/49/572335849.db2.gz LRHMURUSKBKMKB-UHFFFAOYSA-N 0 0 178.235 1.804 10 0 ADAERN O=C([O-])[C@@H](Cc1ccco1)[NH2+]C1CC1 77295659 572335882 /nfs/dbraw/zinc/33/58/82/572335882.db2.gz LBJVCOBKUYKUEF-SECBINFHSA-N 0 0 195.218 1.027 10 0 ADAERN C[NH2+][C@H](Cc1ccccc1F)C(=O)[O-] 77296186 572335936 /nfs/dbraw/zinc/33/59/36/572335936.db2.gz CCDCDPCWLAPDAQ-SECBINFHSA-N 0 0 197.209 1.041 10 0 ADAERN O=C([O-])CCC/C=C\[C@@H]1CCC[NH2+]1 307981605 572335940 /nfs/dbraw/zinc/33/59/40/572335940.db2.gz FRQOMQHOJWXJGJ-JHYPKJRRSA-N 0 0 183.251 1.550 10 0 ADAERN C=Cc1ccc(S(C)(=O)=O)cc1 60148243 572335962 /nfs/dbraw/zinc/33/59/62/572335962.db2.gz BFMBTATYOXZSJD-UHFFFAOYSA-N 0 0 182.244 1.733 10 0 ADAERN CC[C@H](CO)C(=O)OC/C=C\Cl 307981565 572335971 /nfs/dbraw/zinc/33/59/71/572335971.db2.gz OYQLFZOPPRFBQA-KFOINNEUSA-N 0 0 192.642 1.301 10 0 ADAERN Cc1cc(COC(=O)[C@H](C)N)c(C)[nH]1 77296012 572335976 /nfs/dbraw/zinc/33/59/76/572335976.db2.gz BRCJZFPPBJFQQZ-ZETCQYMHSA-N 0 0 196.250 1.022 10 0 ADAERN COCCc1cnc(CNC2CC2)o1 83555754 572336051 /nfs/dbraw/zinc/33/60/51/572336051.db2.gz ZIGCGMLMEZTIJW-UHFFFAOYSA-N 0 0 196.250 1.116 10 0 ADAERN Cc1c2cc(O)ccc2cc[n+]1[O-] 196497903 572336056 /nfs/dbraw/zinc/33/60/56/572336056.db2.gz WYUYUYOMKKTTTP-UHFFFAOYSA-N 0 0 175.187 1.487 10 0 ADAERN COCc1cnc(CNC2CC2)o1 83555717 572336155 /nfs/dbraw/zinc/33/61/55/572336155.db2.gz MXVJWLVGQFOGID-UHFFFAOYSA-N 0 0 182.223 1.073 10 0 ADAERN CC(C)[C@@]([NH3+])(CC(=O)[O-])c1ccc[nH]1 77295985 572336141 /nfs/dbraw/zinc/33/61/41/572336141.db2.gz DIOSDLMNKKZXDT-JTQLQIEISA-N 0 0 196.250 1.299 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])c1ccncc1 77295340 572336143 /nfs/dbraw/zinc/33/61/43/572336143.db2.gz PLDLFYBNTWGAPL-SECBINFHSA-N 0 0 194.234 1.205 10 0 ADAERN CCCC(=N)NC(=O)[C@H](C)CC 307981604 572336169 /nfs/dbraw/zinc/33/61/69/572336169.db2.gz 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CCCCCC[C@@H]1COC[C@H]1O 238213293 572338840 /nfs/dbraw/zinc/33/88/40/572338840.db2.gz GKNVILABXLEWKV-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CO[C@@H]1CC[C@H](n2cncc2CO)C1 234989387 572338852 /nfs/dbraw/zinc/33/88/52/572338852.db2.gz CWGZXOWDKFGATJ-WCBMZHEXSA-N 0 0 196.250 1.115 10 0 ADAERN CCCOC[C@@]1(O)CS[C@@H](C)C1 86939606 572338859 /nfs/dbraw/zinc/33/88/59/572338859.db2.gz UCGGNEUGCZNSCD-DTWKUNHWSA-N 0 0 190.308 1.670 10 0 ADAERN CCCC=C=C[C@H](O)COC 238213245 572338906 /nfs/dbraw/zinc/33/89/06/572338906.db2.gz OBRAHQOXOFYZCB-HSOSERFQSA-N 0 0 156.225 1.505 10 0 ADAERN C=C/C=C\CC[C@H](O)c1cn[nH]c1 713683242 572338982 /nfs/dbraw/zinc/33/89/82/572338982.db2.gz JTTSXLNLYTWSMH-XOULXFPDSA-N 0 0 178.235 1.966 10 0 ADAERN CCC[N@H+](C)CCNC(=S)[S-] 238213078 572338985 /nfs/dbraw/zinc/33/89/85/572338985.db2.gz CSOSYUUTBFXTQJ-UHFFFAOYSA-N 0 0 192.353 1.133 10 0 ADAERN CCO[C@H](C)OC[C@H](C)CO 196583761 572339001 /nfs/dbraw/zinc/33/90/01/572339001.db2.gz QQMLYFZIFMQTAR-SFYZADRCSA-N 0 0 162.229 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/nfs/dbraw/zinc/33/94/07/572339407.db2.gz CUCBPENPYKAQJU-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN COC(Cc1cccn1C)(OC)OC 77296628 572339424 /nfs/dbraw/zinc/33/94/24/572339424.db2.gz NSYHDNXEYRVRMP-UHFFFAOYSA-N 0 0 199.250 1.161 10 0 ADAERN C=C/C=C/[C@H](O)CC(=O)OCC 307983425 572339468 /nfs/dbraw/zinc/33/94/68/572339468.db2.gz QSIVYLPXKSFWMF-GJIOHYHPSA-N 0 0 170.208 1.043 10 0 ADAERN CCC/C=C/[C@@H](O)C(=O)NC(C)(C)C 238215601 572339496 /nfs/dbraw/zinc/33/94/96/572339496.db2.gz WCJDGQSHVGDGTC-FCZSHJHJSA-N 0 0 199.294 1.618 10 0 ADAERN Nc1ccc2nc(-c3cc[nH]c3)cn2c1 77296343 572339510 /nfs/dbraw/zinc/33/95/10/572339510.db2.gz SHDVJWADDSCJGX-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CC(C)[C@@H](CC[C@@H](C)[NH3+])CC(=O)[O-] 238212559 572339542 /nfs/dbraw/zinc/33/95/42/572339542.db2.gz UVFOONUACGJWDQ-BDAKNGLRSA-N 0 0 187.283 1.861 10 0 ADAERN CCCCC[C@@H](O)C[C@@H]1CC(=O)O1 238215369 572339652 /nfs/dbraw/zinc/33/96/52/572339652.db2.gz DNHQVZHSMLVIGQ-RKDXNWHRSA-N 0 0 186.251 1.633 10 0 ADAERN 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1.197 10 0 ADAERN C/C=C\C(=O)N[C@@H](C)[C@@H](C)OC 307982419 572339741 /nfs/dbraw/zinc/33/97/41/572339741.db2.gz PNDRRSQUXLVSQT-HFFNOEQQSA-N 0 0 171.240 1.102 10 0 ADAERN CON(C)C[C@H](O)c1cccs1 307982731 572339837 /nfs/dbraw/zinc/33/98/37/572339837.db2.gz PSRGDBMGVWZCJR-ZETCQYMHSA-N 0 0 187.264 1.275 10 0 ADAERN COCCN(C)c1ccc(N)c(F)c1 77296347 572339855 /nfs/dbraw/zinc/33/98/55/572339855.db2.gz KWZYVFBYQPUTIX-UHFFFAOYSA-N 0 0 198.241 1.491 10 0 ADAERN CC(=O)OCC(=O)[C@@H](C)C(C)C 238216070 572339858 /nfs/dbraw/zinc/33/98/58/572339858.db2.gz ZEXOCQQHUKMOTR-ZETCQYMHSA-N 0 0 172.224 1.411 10 0 ADAERN C[C@]([NH3+])(CC(=O)[O-])Cc1cccs1 77296653 572339787 /nfs/dbraw/zinc/33/97/87/572339787.db2.gz OOXFIXDLIMRGDK-SECBINFHSA-N 0 0 199.275 1.483 10 0 ADAERN CCCc1nnsc1C(=O)N(C)C 83581881 572339790 /nfs/dbraw/zinc/33/97/90/572339790.db2.gz LEPRRTLVRVINAC-UHFFFAOYSA-N 0 0 199.279 1.192 10 0 ADAERN C=C/C=C\[C@H](O)CC(=O)OCC 307983426 572339792 /nfs/dbraw/zinc/33/97/92/572339792.db2.gz 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572339949 /nfs/dbraw/zinc/33/99/49/572339949.db2.gz OEJGAHNSWJWKSP-MRVPVSSYSA-N 0 0 198.266 1.365 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1ccn(C)n1 83572309 572339953 /nfs/dbraw/zinc/33/99/53/572339953.db2.gz UXKFRYXLZGUSBY-SCZZXKLOSA-N 0 0 182.267 1.890 10 0 ADAERN CCC(=O)N[C@](C)(CC)C(C)=O 238214554 572339957 /nfs/dbraw/zinc/33/99/57/572339957.db2.gz YNBGNTLMEJMWNQ-SECBINFHSA-N 0 0 171.240 1.270 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](c2cccs2)C[NH2+]1 77296260 572339963 /nfs/dbraw/zinc/33/99/63/572339963.db2.gz ZASUBLHMWXKPMU-RNFRBKRXSA-N 0 0 197.259 1.278 10 0 ADAERN CCCCC[C@@H](O)/C(C)=C/CO 238214606 572339971 /nfs/dbraw/zinc/33/99/71/572339971.db2.gz FONOUTYCSVUPHL-TTZKWOQHSA-N 0 0 172.268 1.866 10 0 ADAERN CCONCc1c(C)nn(CC)c1C 307983385 572340048 /nfs/dbraw/zinc/34/00/48/572340048.db2.gz OZHJTETWCGZMDK-UHFFFAOYSA-N 0 0 197.282 1.561 10 0 ADAERN CC(C)[C@H](/C=C/[C@H](C)[NH3+])C(=O)[O-] 238211951 572340098 /nfs/dbraw/zinc/34/00/98/572340098.db2.gz VUERGAFAPBDPPU-VEVSIANRSA-N 0 0 171.240 1.247 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ONHBUNUZUOTPNF-XNPJLODASA-N 0 0 183.251 1.284 10 0 ADAERN CC(=O)CCC[C@@H](O)C(C)C 238211955 572340316 /nfs/dbraw/zinc/34/03/16/572340316.db2.gz ATDZAYOMGBDENQ-SECBINFHSA-N 0 0 158.241 1.763 10 0 ADAERN CCCC[C@H](O)c1ccn(C)n1 83572381 572340382 /nfs/dbraw/zinc/34/03/82/572340382.db2.gz XVUSRRUCZSKYKZ-VIFPVBQESA-N 0 0 168.240 1.644 10 0 ADAERN CCC/C=C/CN1C(=O)CC[C@@H]1O 238214610 572340398 /nfs/dbraw/zinc/34/03/98/572340398.db2.gz ONHBUNUZUOTPNF-MOVJSRMASA-N 0 0 183.251 1.284 10 0 ADAERN CCS[C@@H](C)C(=O)N1CCCC1 307982495 572340418 /nfs/dbraw/zinc/34/04/18/572340418.db2.gz PPAJTWGSSVIFLA-QMMMGPOBSA-N 0 0 187.308 1.750 10 0 ADAERN OCCCC1Oc2ccccc2O1 196600913 572340420 /nfs/dbraw/zinc/34/04/20/572340420.db2.gz QHHIBTYTEYDSES-UHFFFAOYSA-N 0 0 180.203 1.556 10 0 ADAERN C[C@]1(O)C(=O)Nc2c(Cl)cccc21 39375202 572340426 /nfs/dbraw/zinc/34/04/26/572340426.db2.gz HVKIITNIYBPTIC-SECBINFHSA-N 0 0 197.621 1.500 10 0 ADAERN Nc1cccn2cc(-c3cc[nH]c3)nc12 77296345 572340444 /nfs/dbraw/zinc/34/04/44/572340444.db2.gz UMDMKMFWJWTIGA-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CCN(CC)C(=O)N1CCSC1 307982706 572340459 /nfs/dbraw/zinc/34/04/59/572340459.db2.gz PRZJABUXISEECS-UHFFFAOYSA-N 0 0 188.296 1.455 10 0 ADAERN O=C1CC(C2CC2)(C2CC2)[C@@H](O)O1 196610132 572340461 /nfs/dbraw/zinc/34/04/61/572340461.db2.gz LWEGTXRWDBIPGV-VIFPVBQESA-N 0 0 182.219 1.058 10 0 ADAERN CC(C)[C@H](O)[C@@H](C)C(=O)N1CCCC1 238214428 572340485 /nfs/dbraw/zinc/34/04/85/572340485.db2.gz NUZGQWGJBZIKQM-ZJUUUORDSA-N 0 0 199.294 1.262 10 0 ADAERN C/C(Cl)=C1\C[C@H](CCO)OC1=O 307983394 572340487 /nfs/dbraw/zinc/34/04/87/572340487.db2.gz QMADKVOKOXPRJG-ZHURGCMGSA-N 0 0 190.626 1.197 10 0 ADAERN CC/C=C(/CCC)C(=O)NOC 307982897 572340492 /nfs/dbraw/zinc/34/04/92/572340492.db2.gz PXMHIFGAZGNZOT-VURMDHGXSA-N 0 0 171.240 1.801 10 0 ADAERN CCC/C=C(/CC)C(=O)NC(N)=O 238211894 572340498 /nfs/dbraw/zinc/34/04/98/572340498.db2.gz UGRNJWKBGOPWPJ-SREVYHEPSA-N 0 0 184.239 1.318 10 0 ADAERN CCC(=O)N[C@@H]1CCCC[C@@H]1COC 238212633 572340504 /nfs/dbraw/zinc/34/05/04/572340504.db2.gz QQDRZJZRMVXXLR-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN CCc1cccc(C(=O)CN(C)C)c1 83574266 572340537 /nfs/dbraw/zinc/34/05/37/572340537.db2.gz IQEQIELANOCRCL-UHFFFAOYSA-N 0 0 191.274 1.993 10 0 ADAERN CCCCC[C@@H](O)C[C@H]1CC(=O)O1 238215473 572340565 /nfs/dbraw/zinc/34/05/65/572340565.db2.gz DNHQVZHSMLVIGQ-BDAKNGLRSA-N 0 0 186.251 1.633 10 0 ADAERN COCC(=O)OCC1(SC)CC1 307982398 572340571 /nfs/dbraw/zinc/34/05/71/572340571.db2.gz PMECFJZYBXTAHZ-UHFFFAOYSA-N 0 0 190.264 1.072 10 0 ADAERN Nc1cccn2cc(-c3ccc[nH]3)nc12 77296344 572340582 /nfs/dbraw/zinc/34/05/82/572340582.db2.gz DFWDXNUGMFDKJP-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CC(C)[C@H](O)[C@@H](C)[C@@H](C)CCO 238214589 572340610 /nfs/dbraw/zinc/34/06/10/572340610.db2.gz YTLULGDSLDWEMF-GUBZILKMSA-N 0 0 174.284 1.658 10 0 ADAERN CC(C)OC[C@H]1CCC[C@H](O)C1 60225509 572340656 /nfs/dbraw/zinc/34/06/56/572340656.db2.gz GTZXLBWHYGYFFF-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1ccc(O)cc1 52293475 572340664 /nfs/dbraw/zinc/34/06/64/572340664.db2.gz WAMWMPMRYLFXHI-OIBJUYFYSA-N 0 0 191.230 1.530 10 0 ADAERN CCCCCC[C@H]1C=C(NC)C(=O)O1 238214596 572340694 /nfs/dbraw/zinc/34/06/94/572340694.db2.gz PXFZTLZVFNUYMR-VIFPVBQESA-N 0 0 197.278 1.986 10 0 ADAERN Cc1cc(SC[C@@H](C)O)n(C)n1 52310377 572340706 /nfs/dbraw/zinc/34/07/06/572340706.db2.gz SJDSQDMIEZOYIN-SSDOTTSWSA-N 0 0 186.280 1.201 10 0 ADAERN O=C([O-])[C@H]1C[C@H](c2cccs2)C[NH2+]1 77296261 572340719 /nfs/dbraw/zinc/34/07/19/572340719.db2.gz ZASUBLHMWXKPMU-NKWVEPMBSA-N 0 0 197.259 1.278 10 0 ADAERN O=C1CC(C2CC2)(C2CC2)[C@H](O)O1 196610144 572340769 /nfs/dbraw/zinc/34/07/69/572340769.db2.gz LWEGTXRWDBIPGV-SECBINFHSA-N 0 0 182.219 1.058 10 0 ADAERN C[C@@H](CCO)c1ccccc1O 196600773 572340812 /nfs/dbraw/zinc/34/08/12/572340812.db2.gz MHJZQOLIHNOCCF-QMMMGPOBSA-N 0 0 166.220 1.878 10 0 ADAERN CC1(C2CC2)CC(=O)C1 196610122 572340829 /nfs/dbraw/zinc/34/08/29/572340829.db2.gz LOKTXMUWKLQCTD-UHFFFAOYSA-N 0 0 124.183 1.766 10 0 ADAERN CCc1cnc(CC)n1C#N 39385199 572340838 /nfs/dbraw/zinc/34/08/38/572340838.db2.gz GDNOWTYFLAVDLJ-UHFFFAOYSA-N 0 0 149.197 1.337 10 0 ADAERN O=C([O-])[C@@H]1C[C@H](c2cccs2)C[NH2+]1 77296263 572340857 /nfs/dbraw/zinc/34/08/57/572340857.db2.gz ZASUBLHMWXKPMU-BQBZGAKWSA-N 0 0 197.259 1.278 10 0 ADAERN CCCC[C@@H](CCO)n1cccn1 238211721 572340890 /nfs/dbraw/zinc/34/08/90/572340890.db2.gz OMQPYLIREGDLOJ-JTQLQIEISA-N 0 0 182.267 1.997 10 0 ADAERN C/C=C/CN(CCCC)C(=O)CO 238212364 572340893 /nfs/dbraw/zinc/34/08/93/572340893.db2.gz YFPSYPMBCRPWDE-HWKANZROSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)OC[C@@H]1CCC[C@@H](O)C1 60225513 572340922 /nfs/dbraw/zinc/34/09/22/572340922.db2.gz GTZXLBWHYGYFFF-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN C=C/C=C\CC[C@H](O)C(=O)OCC 713685230 572340938 /nfs/dbraw/zinc/34/09/38/572340938.db2.gz POQYWKHQHPKKAU-UDIARPCQSA-N 0 0 184.235 1.433 10 0 ADAERN C=C=C(CO)C(=O)OCCCC 238212661 572340940 /nfs/dbraw/zinc/34/09/40/572340940.db2.gz JFZHKBOJTBUOHK-UHFFFAOYSA-N 0 0 170.208 1.033 10 0 ADAERN C[C@H](N)C(=O)OCCC1CCCCC1 77296659 572340971 /nfs/dbraw/zinc/34/09/71/572340971.db2.gz QLHFBLXHBIGTOK-VIFPVBQESA-N 0 0 199.294 1.847 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(O)cc1 52293473 572340972 /nfs/dbraw/zinc/34/09/72/572340972.db2.gz WAMWMPMRYLFXHI-GMSGAONNSA-N 0 0 191.230 1.530 10 0 ADAERN CCc1noc(C)c1CNOC 307982697 572341487 /nfs/dbraw/zinc/34/14/87/572341487.db2.gz PROWUCBBVXHXBD-UHFFFAOYSA-N 0 0 170.212 1.196 10 0 ADAERN CCCCCC[C@@](C)(CO)NO 238215644 572341025 /nfs/dbraw/zinc/34/10/25/572341025.db2.gz IQABTTQRGSVYIT-VIFPVBQESA-N 0 0 175.272 1.687 10 0 ADAERN CCS[C@@H](C)O 60227258 572341044 /nfs/dbraw/zinc/34/10/44/572341044.db2.gz NUTVORGGYDQIDD-BYPYZUCNSA-N 0 0 106.190 1.078 10 0 ADAERN C=C=C(C(=O)OCCCC)[C@H](O)CC 238212554 572341574 /nfs/dbraw/zinc/34/15/74/572341574.db2.gz HLXVLFGIBXGWTC-SNVBAGLBSA-N 0 0 198.262 1.812 10 0 ADAERN CC(C)CC[C@H](O)c1ccn(C)n1 83572247 572341052 /nfs/dbraw/zinc/34/10/52/572341052.db2.gz LDPCXJLYOLUHJP-JTQLQIEISA-N 0 0 182.267 1.890 10 0 ADAERN C/C=C\[C@@H](O)CCCC(=O)OC 307983483 572342954 /nfs/dbraw/zinc/34/29/54/572342954.db2.gz QXUKUHLDSPGWCB-QIUOEGRZSA-N 0 0 172.224 1.267 10 0 ADAERN CCC[C@@H]1CNC(=O)N(CCC)C1=O 83603127 572341141 /nfs/dbraw/zinc/34/11/41/572341141.db2.gz GGCNSTIBKRSXMA-MRVPVSSYSA-N 0 0 198.266 1.365 10 0 ADAERN CC[C@@H](CNc1cc[nH+]cc1)C(=O)[O-] 83603423 572341152 /nfs/dbraw/zinc/34/11/52/572341152.db2.gz IVCBNSAGERAURE-QMMMGPOBSA-N 0 0 194.234 1.604 10 0 ADAERN C=C/C=C/CC[C@@H](O)C(=O)OCC 713685231 572341183 /nfs/dbraw/zinc/34/11/83/572341183.db2.gz POQYWKHQHPKKAU-VUHVRTRXSA-N 0 0 184.235 1.433 10 0 ADAERN C[C@@H](N)C(=O)OCCC1CCCCC1 77296660 572341255 /nfs/dbraw/zinc/34/12/55/572341255.db2.gz QLHFBLXHBIGTOK-SECBINFHSA-N 0 0 199.294 1.847 10 0 ADAERN CCCCC[C@@H](O)C1=C[C@H](C)OC1=O 238214799 572341273 /nfs/dbraw/zinc/34/12/73/572341273.db2.gz RVCXAEJFWMFXFC-WCBMZHEXSA-N 0 0 198.262 1.799 10 0 ADAERN Cc1cc(SC[C@H](C)O)n(C)n1 52310379 572341289 /nfs/dbraw/zinc/34/12/89/572341289.db2.gz SJDSQDMIEZOYIN-ZETCQYMHSA-N 0 0 186.280 1.201 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)[C@H](C)OC 307982422 572341318 /nfs/dbraw/zinc/34/13/18/572341318.db2.gz PNDRRSQUXLVSQT-JBGJSGBSSA-N 0 0 171.240 1.102 10 0 ADAERN O=CCc1ccc(O)cc1 196651897 572341319 /nfs/dbraw/zinc/34/13/19/572341319.db2.gz AVHKOIHDSGYXMF-AATRIKPKSA-N 0 0 136.150 1.921 10 0 ADAERN CC(C)[C@H](O)[C@@H](CO)C(C)(C)C 307982268 572341323 /nfs/dbraw/zinc/34/13/23/572341323.db2.gz PPTLZVKFDOISNR-BDAKNGLRSA-N 0 0 174.284 1.658 10 0 ADAERN C=C/C=C\CC[C@@H](O)C(=O)OCC 713685229 572342145 /nfs/dbraw/zinc/34/21/45/572342145.db2.gz POQYWKHQHPKKAU-SSJHQANKSA-N 0 0 184.235 1.433 10 0 ADAERN CCCN(C)c1ccc(C(N)=O)nc1 238215423 572342146 /nfs/dbraw/zinc/34/21/46/572342146.db2.gz INSFGWDXPVMSAW-UHFFFAOYSA-N 0 0 193.250 1.027 10 0 ADAERN C[C@H](F)[C@H](O)COCc1ccccc1 196610347 572341385 /nfs/dbraw/zinc/34/13/85/572341385.db2.gz UEZZILAXEORWTL-GXSJLCMTSA-N 0 0 198.237 1.922 10 0 ADAERN CC(C)[C@@H](CCO)CC(C)(C)O 238212179 572341414 /nfs/dbraw/zinc/34/14/14/572341414.db2.gz IDRVILVNAUGPDY-VIFPVBQESA-N 0 0 174.284 1.802 10 0 ADAERN CCCC[C@@H](CCOC)NC(C)=O 238211741 572341421 /nfs/dbraw/zinc/34/14/21/572341421.db2.gz KGCANVIYJVNZEF-JTQLQIEISA-N 0 0 187.283 1.718 10 0 ADAERN CCCCCC[C@@H](OC)OCCO 238211730 572341460 /nfs/dbraw/zinc/34/14/60/572341460.db2.gz PABPXKZEGQVYOE-JTQLQIEISA-N 0 0 190.283 1.938 10 0 ADAERN CCNC(=O)c1cccnc1SC 60249900 572341469 /nfs/dbraw/zinc/34/14/69/572341469.db2.gz UOHQLCPNUJJVHM-UHFFFAOYSA-N 0 0 196.275 1.553 10 0 ADAERN O=C1CC2(CCCCC2)C[C@@H]1O 196601190 572341506 /nfs/dbraw/zinc/34/15/06/572341506.db2.gz MKXLPKKZYROHME-QMMMGPOBSA-N 0 0 168.236 1.661 10 0 ADAERN CCCCC[C@H](O)[C@](C)(F)CO 307983037 572341512 /nfs/dbraw/zinc/34/15/12/572341512.db2.gz QEBVESLEIOZNEE-DTWKUNHWSA-N 0 0 178.247 1.648 10 0 ADAERN CCCCCC[C@@H]1ON1C(N)=O 238214870 572341631 /nfs/dbraw/zinc/34/16/31/572341631.db2.gz FEDKDSRMAUIDQV-BYDSUWOYSA-N 0 0 172.228 1.609 10 0 ADAERN CON(C)C[C@@H](O)c1cccs1 307982729 572341647 /nfs/dbraw/zinc/34/16/47/572341647.db2.gz PSRGDBMGVWZCJR-SSDOTTSWSA-N 0 0 187.264 1.275 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](c2cccs2)C[NH2+]1 77296262 572341753 /nfs/dbraw/zinc/34/17/53/572341753.db2.gz ZASUBLHMWXKPMU-RQJHMYQMSA-N 0 0 197.259 1.278 10 0 ADAERN CC(C)[C@H](O)[C@@H](C)C(=S)N(C)C 238214462 572341791 /nfs/dbraw/zinc/34/17/91/572341791.db2.gz FHGCCUJPSYYYLH-SFYZADRCSA-N 0 0 189.324 1.528 10 0 ADAERN CCCNC(=O)Nc1ncccc1O 196627564 572341800 /nfs/dbraw/zinc/34/18/00/572341800.db2.gz MKOWZZZAJUSENY-UHFFFAOYSA-N 0 0 195.222 1.319 10 0 ADAERN O[C@H]1CC2(CCCC2)C[C@@H]1O 196601244 572341821 /nfs/dbraw/zinc/34/18/21/572341821.db2.gz NHKFLEFNIAIRMW-YUMQZZPRSA-N 0 0 156.225 1.062 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(O)cc1 52293470 572341884 /nfs/dbraw/zinc/34/18/84/572341884.db2.gz WAMWMPMRYLFXHI-XVKPBYJWSA-N 0 0 191.230 1.530 10 0 ADAERN O=C1CC2(CCCCC2)C[C@H]1O 196601204 572341890 /nfs/dbraw/zinc/34/18/90/572341890.db2.gz MKXLPKKZYROHME-MRVPVSSYSA-N 0 0 168.236 1.661 10 0 ADAERN C[C@H](CCO)c1ccccc1O 196600781 572341894 /nfs/dbraw/zinc/34/18/94/572341894.db2.gz MHJZQOLIHNOCCF-MRVPVSSYSA-N 0 0 166.220 1.878 10 0 ADAERN O[C@@H]1CC2(CCCC2)C[C@H]1O 196601232 572341913 /nfs/dbraw/zinc/34/19/13/572341913.db2.gz NHKFLEFNIAIRMW-HTQZYQBOSA-N 0 0 156.225 1.062 10 0 ADAERN CC[C@H](CNc1cc[nH+]cc1)C(=O)[O-] 83603424 572341914 /nfs/dbraw/zinc/34/19/14/572341914.db2.gz IVCBNSAGERAURE-MRVPVSSYSA-N 0 0 194.234 1.604 10 0 ADAERN COCCc1nc(C)c(C)c(=S)[nH]1 234682602 572341957 /nfs/dbraw/zinc/34/19/57/572341957.db2.gz VBSCFBIXEYSIEP-UHFFFAOYSA-N 0 0 198.291 1.571 10 0 ADAERN CCCCC[C@@H](O)[C@H](F)C(=O)OC 238216776 572342950 /nfs/dbraw/zinc/34/29/50/572342950.db2.gz MPJOGNAACIOFSH-SFYZADRCSA-N 0 0 192.230 1.439 10 0 ADAERN CC(C)OC[C@H]1CCC[C@@H](O)C1 60225516 572342014 /nfs/dbraw/zinc/34/20/14/572342014.db2.gz GTZXLBWHYGYFFF-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)OC[C@@H]1CCC[C@H](O)C1 60225507 572342095 /nfs/dbraw/zinc/34/20/95/572342095.db2.gz GTZXLBWHYGYFFF-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CO[C@H](C)C(=O)O[C@@H](C)C1CC1 307979909 572342176 /nfs/dbraw/zinc/34/21/76/572342176.db2.gz OBQKVGFJJTUONQ-NKWVEPMBSA-N 0 0 172.224 1.363 10 0 ADAERN CCC(=O)N[C@@H]1CCCC[C@H]1COC 238212668 572342193 /nfs/dbraw/zinc/34/21/93/572342193.db2.gz QQDRZJZRMVXXLR-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN CC(=O)Cc1c(O)cccc1O 60257940 572342202 /nfs/dbraw/zinc/34/22/02/572342202.db2.gz ACOUVMJSHAWZFM-UHFFFAOYSA-N 0 0 166.176 1.229 10 0 ADAERN CCC[C@@H]1COC[C@H]1[C@H](O)CC 307979958 572342247 /nfs/dbraw/zinc/34/22/47/572342247.db2.gz MUIQMBVLWZBFIT-OPRDCNLKSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@@H](CC(C)=O)OC 60232548 572342258 /nfs/dbraw/zinc/34/22/58/572342258.db2.gz XGCAXVHLPPQKCW-ZETCQYMHSA-N 0 0 130.187 1.391 10 0 ADAERN CCC[N@@H+]1CCC[C@@H](C(=O)[O-])[C@@H]1CC 238215680 572342274 /nfs/dbraw/zinc/34/22/74/572342274.db2.gz FRKZBTBZEWGCJH-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H](CCCO)[C@@H](O)C(C)(C)C 307979911 572342277 /nfs/dbraw/zinc/34/22/77/572342277.db2.gz MTOHCUHOWCXGGS-RKDXNWHRSA-N 0 0 174.284 1.802 10 0 ADAERN Nc1cc(N)c2nc3ccccn3c2c1 238639763 572342340 /nfs/dbraw/zinc/34/23/40/572342340.db2.gz RSXMOWGKQLVFLE-UHFFFAOYSA-N 0 0 198.229 1.652 10 0 ADAERN CONCc1nc(C2CC2)cs1 307980164 572342360 /nfs/dbraw/zinc/34/23/60/572342360.db2.gz OFSUKNJQOGXUKJ-UHFFFAOYSA-N 0 0 184.264 1.672 10 0 ADAERN CC(=O)OC[C@H](C)[C@H](O)C(C)C 307980594 572342367 /nfs/dbraw/zinc/34/23/67/572342367.db2.gz NUSPYTCQXZJPSG-IONNQARKSA-N 0 0 174.240 1.203 10 0 ADAERN CC[C@H](C)C[C@@H](O)c1ccn(C)n1 83572313 572342403 /nfs/dbraw/zinc/34/24/03/572342403.db2.gz UXKFRYXLZGUSBY-WCBMZHEXSA-N 0 0 182.267 1.890 10 0 ADAERN C[C@@H]1CC[C@@H](CCO)[C@@H]1CCO 196741510 572342445 /nfs/dbraw/zinc/34/24/45/572342445.db2.gz NFVUMKBKFWDWCN-KXUCPTDWSA-N 0 0 172.268 1.414 10 0 ADAERN CCCC[C@@H](O)c1ccn(C)n1 83572382 572342536 /nfs/dbraw/zinc/34/25/36/572342536.db2.gz XVUSRRUCZSKYKZ-SECBINFHSA-N 0 0 168.240 1.644 10 0 ADAERN CCCc1nnsc1C(=O)NCC 83581867 572342549 /nfs/dbraw/zinc/34/25/49/572342549.db2.gz ISTQCKXRFWGHCQ-UHFFFAOYSA-N 0 0 199.279 1.240 10 0 ADAERN Nc1cc(N)c2nc3ncccn3c2c1 238639800 572342570 /nfs/dbraw/zinc/34/25/70/572342570.db2.gz RFYSAZSBWDAABW-UHFFFAOYSA-N 0 0 199.217 1.047 10 0 ADAERN CC(C)CC[C@@H](O)c1ccn(C)n1 83572249 572342625 /nfs/dbraw/zinc/34/26/25/572342625.db2.gz LDPCXJLYOLUHJP-SNVBAGLBSA-N 0 0 182.267 1.890 10 0 ADAERN CN[C@@H](C)c1nc([C@H]2CC2(C)C)no1 234424050 572342690 /nfs/dbraw/zinc/34/26/90/572342690.db2.gz MTQZCEKYRKAUAS-NKWVEPMBSA-N 0 0 195.266 1.864 10 0 ADAERN CCC/C=C/C=C/[C@H](O)CO 238214135 572342715 /nfs/dbraw/zinc/34/27/15/572342715.db2.gz BDXYBQBAQDXDPE-IAKNQCKFSA-N 0 0 156.225 1.252 10 0 ADAERN O[C@H]1CC2(CCCC2)C[C@H]1O 196601222 572342728 /nfs/dbraw/zinc/34/27/28/572342728.db2.gz NHKFLEFNIAIRMW-OCAPTIKFSA-N 0 0 156.225 1.062 10 0 ADAERN CN(C#N)C(=O)CSC(C)(C)C 307987428 572351279 /nfs/dbraw/zinc/35/12/79/572351279.db2.gz RSANJKBEWJWTQW-UHFFFAOYSA-N 0 0 186.280 1.458 10 0 ADAERN C[NH+]1CCC(Sc2ncc[nH]2)CC1 60313547 572342803 /nfs/dbraw/zinc/34/28/03/572342803.db2.gz LUFPMQKDGJVWKY-UHFFFAOYSA-N 0 0 197.307 1.596 10 0 ADAERN C/C(=C/CC[C@@H]1CCOC1)CO 307980037 572342824 /nfs/dbraw/zinc/34/28/24/572342824.db2.gz NHBRMYOSXCVRIR-KSXVILFYSA-N 0 0 170.252 1.742 10 0 ADAERN O=C([O-])[C@]1(C/C=C\Cl)CC[NH2+]C1 388435737 572342829 /nfs/dbraw/zinc/34/28/29/572342829.db2.gz PUORETSOXMHTAI-IHDKTBNVSA-N 0 0 189.642 1.193 10 0 ADAERN CCC/C=C/C=C/[C@@H](O)CO 238214108 572342843 /nfs/dbraw/zinc/34/28/43/572342843.db2.gz BDXYBQBAQDXDPE-QLZAQQANSA-N 0 0 156.225 1.252 10 0 ADAERN COc1cccc([C@@H]2C[C@@H]2C(C)=O)n1 234998184 572342891 /nfs/dbraw/zinc/34/28/91/572342891.db2.gz PMWDCHPRADFLBV-RKDXNWHRSA-N 0 0 191.230 1.783 10 0 ADAERN CO[C@@H](C)C(=O)O[C@@H](C)C1CC1 307979908 572342899 /nfs/dbraw/zinc/34/28/99/572342899.db2.gz 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/nfs/dbraw/zinc/34/31/18/572343118.db2.gz PMKKQMUSLABUCM-XHNCKOQMSA-N 0 0 140.226 1.948 10 0 ADAERN CCC(CC)[C@H]1C(N)=NC(=O)N1CC 87010139 572343157 /nfs/dbraw/zinc/34/31/57/572343157.db2.gz PGAAQQSGBMBBLD-QMMMGPOBSA-N 0 0 197.282 1.814 10 0 ADAERN CCCC[C@H](F)C(=O)C(C)(C)O 238215857 572343161 /nfs/dbraw/zinc/34/31/61/572343161.db2.gz DWVPUYGKFCBYRZ-ZETCQYMHSA-N 0 0 176.231 1.855 10 0 ADAERN CCCCC[C@@H](O)[C@@H](C)OCCO 238215764 572343193 /nfs/dbraw/zinc/34/31/93/572343193.db2.gz XYOSDZSBQBBUJT-NXEZZACHSA-N 0 0 190.283 1.325 10 0 ADAERN C[C@]12CC[C@H](C=C[C@H]1O)C2 196605114 572343202 /nfs/dbraw/zinc/34/32/02/572343202.db2.gz ZTDYDYZRHDMNHE-DJLDLDEBSA-N 0 0 138.210 1.724 10 0 ADAERN CC[C@H](C)C[C@]1(CC)NC(=O)N=C1N 86994299 572343209 /nfs/dbraw/zinc/34/32/09/572343209.db2.gz UZMWDCBWOUKUHY-XVKPBYJWSA-N 0 0 197.282 1.861 10 0 ADAERN CCC(CC)[C@@H]1C(N)=NC(=O)N1CC 87010137 572343217 /nfs/dbraw/zinc/34/32/17/572343217.db2.gz PGAAQQSGBMBBLD-MRVPVSSYSA-N 0 0 197.282 1.814 10 0 ADAERN C[C@]12CC[C@H](C=C[C@@H]1O)C2 196605123 572343240 /nfs/dbraw/zinc/34/32/40/572343240.db2.gz ZTDYDYZRHDMNHE-XHNCKOQMSA-N 0 0 138.210 1.724 10 0 ADAERN OCCC(CCO)c1ccccc1F 238640563 572343290 /nfs/dbraw/zinc/34/32/90/572343290.db2.gz ZGRUGUOZLVCEEK-UHFFFAOYSA-N 0 0 198.237 1.674 10 0 ADAERN CCCCCC[C@@H]1NC(=O)N=C1N 86994820 572343291 /nfs/dbraw/zinc/34/32/91/572343291.db2.gz WROZMYKXVSZOFW-ZETCQYMHSA-N 0 0 183.255 1.615 10 0 ADAERN CC1(C)CCC[C@@H](Cn2ccnn2)O1 714373412 572343258 /nfs/dbraw/zinc/34/32/58/572343258.db2.gz CLBWBSIKAUVPDI-VIFPVBQESA-N 0 0 195.266 1.626 10 0 ADAERN O[C@H]1CC[C@H]2C=C[C@@H]1C2 196605348 572343261 /nfs/dbraw/zinc/34/32/61/572343261.db2.gz ZVCHNYFGVWOXQF-PRJMDXOYSA-N 0 0 124.183 1.333 10 0 ADAERN C/C(=C/CC[C@H]1CCOC1)CO 307980036 572343264 /nfs/dbraw/zinc/34/32/64/572343264.db2.gz NHBRMYOSXCVRIR-BNFOFFDWSA-N 0 0 170.252 1.742 10 0 ADAERN CC[C@@H](C)C[C@]1(CC)NC(=O)N=C1N 86994296 572343265 /nfs/dbraw/zinc/34/32/65/572343265.db2.gz UZMWDCBWOUKUHY-XCBNKYQSSA-N 0 0 197.282 1.861 10 0 ADAERN CCCC[C@]1(CC)NC(=O)N=C1N 86995083 572343440 /nfs/dbraw/zinc/34/34/40/572343440.db2.gz YPSJSKZMERHWOO-VIFPVBQESA-N 0 0 183.255 1.615 10 0 ADAERN CCCCC[C@H]1NC(=O)N=C1N 86994810 572343448 /nfs/dbraw/zinc/34/34/48/572343448.db2.gz UOYUVJSVBJERQI-ZCFIWIBFSA-N 0 0 169.228 1.225 10 0 ADAERN CCCCC[C@@H]1NC(=O)N=C1N 86994812 572343452 /nfs/dbraw/zinc/34/34/52/572343452.db2.gz UOYUVJSVBJERQI-LURJTMIESA-N 0 0 169.228 1.225 10 0 ADAERN COc1cccc(-c2nc(O)c[nH]2)c1 234998820 572343475 /nfs/dbraw/zinc/34/34/75/572343475.db2.gz JXMVIMLFHQYQOB-UHFFFAOYSA-N 0 0 190.202 1.791 10 0 ADAERN CN[C@@H](C)c1nnc(NC(C)(C)C)o1 234425324 572343535 /nfs/dbraw/zinc/34/35/35/572343535.db2.gz SFULJOWAWBWHHU-LURJTMIESA-N 0 0 198.270 1.560 10 0 ADAERN CCCCC[C@@H](O)[C@@H]1COC(=O)C1 238216333 572343558 /nfs/dbraw/zinc/34/35/58/572343558.db2.gz ZSXSIOIBRCZGPN-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)CCN1N[C@@H](CC2CC2)C1=O 713856819 572343641 /nfs/dbraw/zinc/34/36/41/572343641.db2.gz YLTFWIONNWVILO-JTQLQIEISA-N 0 0 196.294 1.548 10 0 ADAERN CCc1nnnn1CCC(C)C 307979813 572343681 /nfs/dbraw/zinc/34/36/81/572343681.db2.gz NYMXBNJZKHLWAC-UHFFFAOYSA-N 0 0 168.244 1.282 10 0 ADAERN C/C(=C/CC/C(C)=C\C(N)=O)CO 307983549 572343687 /nfs/dbraw/zinc/34/36/87/572343687.db2.gz GCMJRZRPBQMNGY-VZPCVYTNSA-N 0 0 183.251 1.137 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)/C(C)=C\CC 238216094 572343697 /nfs/dbraw/zinc/34/36/97/572343697.db2.gz KQOHMNFHBAFFET-JBDSKBCDSA-N 0 0 170.252 1.641 10 0 ADAERN O=C(CCO)CC[C@@H]1CCCC1=O 238637657 572343698 /nfs/dbraw/zinc/34/36/98/572343698.db2.gz DXSGMXQHTVPQPF-QMMMGPOBSA-N 0 0 184.235 1.087 10 0 ADAERN CO[C@H](C)Cc1nc(SC)no1 307980783 572344063 /nfs/dbraw/zinc/34/40/63/572344063.db2.gz OODXJLXTFYFDRF-RXMQYKEDSA-N 0 0 188.252 1.369 10 0 ADAERN COc1cccc([C@@H](O)C2CCC2)n1 235004462 572343813 /nfs/dbraw/zinc/34/38/13/572343813.db2.gz OHDDUNIOKVLJQF-NSHDSACASA-N 0 0 193.246 1.924 10 0 ADAERN CCCCN(OCC)C(N)=O 238213780 572343881 /nfs/dbraw/zinc/34/38/81/572343881.db2.gz GBWHMZSXLUKAMA-UHFFFAOYSA-N 0 0 160.217 1.119 10 0 ADAERN Cc1cccc2c1C(=O)C(=O)S2 196613386 572343906 /nfs/dbraw/zinc/34/39/06/572343906.db2.gz TXQYYCQQVXGRIT-UHFFFAOYSA-N 0 0 178.212 1.810 10 0 ADAERN CCC(=O)N[C@H]1CCCC[C@H]1COC 238214154 572344022 /nfs/dbraw/zinc/34/40/22/572344022.db2.gz QQDRZJZRMVXXLR-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN CNc1cccc(OC(=O)N(C)C)c1 196617729 572344108 /nfs/dbraw/zinc/34/41/08/572344108.db2.gz RELMCRVAQDIBIU-UHFFFAOYSA-N 0 0 194.234 1.789 10 0 ADAERN [NH2+]=C(NCCC(=O)[O-])c1ccccc1 238637115 572344120 /nfs/dbraw/zinc/34/41/20/572344120.db2.gz WDMSCQKZKOKHIK-UHFFFAOYSA-N 0 0 192.218 1.076 10 0 ADAERN CO[C@@H](C)Cc1nc(SC)no1 307980784 572344123 /nfs/dbraw/zinc/34/41/23/572344123.db2.gz OODXJLXTFYFDRF-YFKPBYRVSA-N 0 0 188.252 1.369 10 0 ADAERN CCCCCC[C@@]([NH3+])(CC)C(N)=O 238216125 572344164 /nfs/dbraw/zinc/34/41/64/572344164.db2.gz BIDAVCXHHJGBQN-JTQLQIEISA-N 0 0 186.299 1.550 10 0 ADAERN Cc1cc(N)ccc1N(C)CC(=O)[O-] 60295957 572344181 /nfs/dbraw/zinc/34/41/81/572344181.db2.gz MYNCHKYIQIUZKH-UHFFFAOYSA-N 0 0 194.234 1.098 10 0 ADAERN C[C@@H](CCCO)[C@@H](O)C(C)(C)C 307979907 572344395 /nfs/dbraw/zinc/34/43/95/572344395.db2.gz MTOHCUHOWCXGGS-DTWKUNHWSA-N 0 0 174.284 1.802 10 0 ADAERN CCONC(=O)OC(C)(C)C 60287976 572344398 /nfs/dbraw/zinc/34/43/98/572344398.db2.gz HZDXVYCENFYZSA-UHFFFAOYSA-N 0 0 161.201 1.463 10 0 ADAERN CCOC(=O)[C@H](O)C(C)=C(C)C 307980611 572344467 /nfs/dbraw/zinc/34/44/67/572344467.db2.gz NZARDXZMGWVVOT-MRVPVSSYSA-N 0 0 172.224 1.267 10 0 ADAERN CCC[C@H]1C(N)=NC(=O)N1CC1CC1 87011544 572344502 /nfs/dbraw/zinc/34/45/02/572344502.db2.gz GYYJMXIDZGXRHX-QMMMGPOBSA-N 0 0 195.266 1.568 10 0 ADAERN C/C(=C/CC/C(C)=C/C(N)=O)CO 307983548 572344507 /nfs/dbraw/zinc/34/45/07/572344507.db2.gz GCMJRZRPBQMNGY-JXCGNHFNSA-N 0 0 183.251 1.137 10 0 ADAERN CCCCC[C@@H](O)[C@@H]1CCOC1=O 238216294 572344517 /nfs/dbraw/zinc/34/45/17/572344517.db2.gz WVRDZCYKNJMVLD-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN OCCC(CCO)c1cccc(F)c1 238640527 572344523 /nfs/dbraw/zinc/34/45/23/572344523.db2.gz QTWWYMGZYSCKSG-UHFFFAOYSA-N 0 0 198.237 1.674 10 0 ADAERN Nc1ccccc1C(=O)CCCCO 238638530 572344538 /nfs/dbraw/zinc/34/45/38/572344538.db2.gz ZBASTIYKHRVEAT-UHFFFAOYSA-N 0 0 193.246 1.614 10 0 ADAERN CCC(CC)(NC(C)=O)[C@@H](C)CO 238216409 572344558 /nfs/dbraw/zinc/34/45/58/572344558.db2.gz QAMHYGIFDAVZIY-QMMMGPOBSA-N 0 0 187.283 1.310 10 0 ADAERN COc1cccc2c1C(=O)[C@H]2C 196619938 572344606 /nfs/dbraw/zinc/34/46/06/572344606.db2.gz GDOVHHJIBRERSN-LURJTMIESA-N 0 0 162.188 1.995 10 0 ADAERN C/C=C\[C@H](O)CCCC(=O)OC 307983481 572344611 /nfs/dbraw/zinc/34/46/11/572344611.db2.gz QXUKUHLDSPGWCB-NHLYECAPSA-N 0 0 172.224 1.267 10 0 ADAERN NC(=O)c1cc2cccc(=O)c-2c[nH]1 687824696 572345601 /nfs/dbraw/zinc/34/56/01/572345601.db2.gz YSRAZGYDWKIHEE-UHFFFAOYSA-N 0 0 188.186 1.039 10 0 ADAERN C/C=C/[C@@H](O)[C@H](O)CCCCC 238217034 572344632 /nfs/dbraw/zinc/34/46/32/572344632.db2.gz KHOGGORFUXWFCG-RGGXIFFLSA-N 0 0 172.268 1.865 10 0 ADAERN CCC(CC)[C@H](O)CC(=O)OC 307989677 572344644 /nfs/dbraw/zinc/34/46/44/572344644.db2.gz VOXFLEQGJSLQLJ-MRVPVSSYSA-N 0 0 174.240 1.347 10 0 ADAERN OCCC(CCO)c1ccco1 238640597 572344648 /nfs/dbraw/zinc/34/46/48/572344648.db2.gz FVGJEOUHTYQLKX-UHFFFAOYSA-N 0 0 170.208 1.128 10 0 ADAERN C[C@@H]1CCCC(=O)[C@H]1C[NH+](C)C 206046869 572344675 /nfs/dbraw/zinc/34/46/75/572344675.db2.gz MUWPTMDUMACMSY-BDAKNGLRSA-N 0 0 169.268 1.553 10 0 ADAERN CN1CCN(Cc2ccccc2)C1=O 196785903 572344692 /nfs/dbraw/zinc/34/46/92/572344692.db2.gz NZHLXTSFAMAJJF-UHFFFAOYSA-N 0 0 190.246 1.554 10 0 ADAERN C/C=C\CCNC(=O)N(C)OC 307979804 572344700 /nfs/dbraw/zinc/34/47/00/572344700.db2.gz NYJWOTBRRYSHGD-PLNGDYQASA-N 0 0 172.228 1.155 10 0 ADAERN C=C/C=C\CC[C@@H](O)c1cn(C)nn1 713692639 572344710 /nfs/dbraw/zinc/34/47/10/572344710.db2.gz FGHKYMYROAPRAJ-UMCURTJPSA-N 0 0 193.250 1.371 10 0 ADAERN Cc1ccc(C[NH3+])c(C(=O)[O-])c1 196616824 572344739 /nfs/dbraw/zinc/34/47/39/572344739.db2.gz AKEMEKRXFHLWSP-UHFFFAOYSA-N 0 0 165.192 1.152 10 0 ADAERN CC1(C)CCC[C@H](Cn2ccnn2)O1 714373411 572344758 /nfs/dbraw/zinc/34/47/58/572344758.db2.gz CLBWBSIKAUVPDI-SECBINFHSA-N 0 0 195.266 1.626 10 0 ADAERN CCCCC[C@@H](O)[C@@H]1COC(=O)N1 238216347 572344832 /nfs/dbraw/zinc/34/48/32/572344832.db2.gz KZLGQDPRPDXDOE-JGVFFNPUSA-N 0 0 187.239 1.036 10 0 ADAERN O=C1NCC=Cc2c1[nH]c1ccccc21 238640555 572344845 /nfs/dbraw/zinc/34/48/45/572344845.db2.gz AZFAMLSVUXSLBK-UHFFFAOYSA-N 0 0 198.225 1.925 10 0 ADAERN CCCC[C@H]([NH3+])[C@@H](C)C(=O)[O-] 238216630 572344892 /nfs/dbraw/zinc/34/48/92/572344892.db2.gz JEJCVLOMROYLOA-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN Cc1cc(O)cc(O)c1N=O 196617637 572344895 /nfs/dbraw/zinc/34/48/95/572344895.db2.gz PXLZOYARTHUMNC-UHFFFAOYSA-N 0 0 153.137 1.804 10 0 ADAERN C/C=C/CCNC(=O)N(C)OC 307979806 572344950 /nfs/dbraw/zinc/34/49/50/572344950.db2.gz NYJWOTBRRYSHGD-SNAWJCMRSA-N 0 0 172.228 1.155 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)CCCCC 238216128 572345074 /nfs/dbraw/zinc/34/50/74/572345074.db2.gz KHOGGORFUXWFCG-JDWDQXLLSA-N 0 0 172.268 1.865 10 0 ADAERN CC/C=C(/C)[C@@H](O)[C@H](C)C(=O)OC 238216127 572345095 /nfs/dbraw/zinc/34/50/95/572345095.db2.gz MSWBTAZMWCHJPI-XFPDIIEBSA-N 0 0 186.251 1.513 10 0 ADAERN CC(C)[C@H](O)[C@H](C)C(=O)N1CCCC1 238217913 572345119 /nfs/dbraw/zinc/34/51/19/572345119.db2.gz NUZGQWGJBZIKQM-UWVGGRQHSA-N 0 0 199.294 1.262 10 0 ADAERN C/C=C\C(=O)Nc1ccc(Cl)nn1 388432066 572345124 /nfs/dbraw/zinc/34/51/24/572345124.db2.gz LWQBYEHDTXXBMZ-IHWYPQMZSA-N 0 0 197.625 1.645 10 0 ADAERN CC(C)O[C@H](C)C[C@H](C)O 196799968 572345141 /nfs/dbraw/zinc/34/51/41/572345141.db2.gz TWUJTRXUFYJNKX-JGVFFNPUSA-N 0 0 146.230 1.571 10 0 ADAERN O=C1Nc2ccccc2[C@H]1NC1CC1 22142605 572345409 /nfs/dbraw/zinc/34/54/09/572345409.db2.gz TWDAGZBLWYPOBG-SNVBAGLBSA-N 0 0 188.230 1.432 10 0 ADAERN COc1cccc(C[C@H](C)CO)c1 60301203 572345274 /nfs/dbraw/zinc/34/52/74/572345274.db2.gz 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CC[C@@](CC(=O)[O-])([NH2+]C)C1CC1 83611919 572347828 /nfs/dbraw/zinc/34/78/28/572347828.db2.gz FWXYEZIAWNIYMY-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN C/C=C/CS(=O)(=O)N[C@@H](C)CC 307990434 572347833 /nfs/dbraw/zinc/34/78/33/572347833.db2.gz SVDIWXMFPIDBLG-JQTRYQTASA-N 0 0 191.296 1.280 10 0 ADAERN COc1cccnc1[C@@H](O)C(C)C 235008912 572347836 /nfs/dbraw/zinc/34/78/36/572347836.db2.gz MKFHWGIJQLQLSS-JTQLQIEISA-N 0 0 181.235 1.780 10 0 ADAERN COCCCOC(=O)[C@@H](C)SC 307990780 572347839 /nfs/dbraw/zinc/34/78/39/572347839.db2.gz SWTONFWTYXLCLE-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CCCCC[C@H](CC(=O)[O-])[NH2+]C 83611547 572347870 /nfs/dbraw/zinc/34/78/70/572347870.db2.gz QPAAGFDVCZHSBF-MRVPVSSYSA-N 0 0 173.256 1.629 10 0 ADAERN CCC(=O)OC[C@@H]([NH3+])c1ccccc1 238218754 572347889 /nfs/dbraw/zinc/34/78/89/572347889.db2.gz BMNAMRPEZKYCFC-SNVBAGLBSA-N 0 0 193.246 1.640 10 0 ADAERN CC1CC(N2N[C@@H](CC3CC3)C2=O)C1 713867298 572347901 /nfs/dbraw/zinc/34/79/01/572347901.db2.gz VEVILEVPNOOWBC-GDRRJGKNSA-N 0 0 194.278 1.300 10 0 ADAERN CCCC(=N)NC(=O)[C@H](C)SC 307989760 572347973 /nfs/dbraw/zinc/34/79/73/572347973.db2.gz SMQACVVBDZQZPF-LURJTMIESA-N 0 0 188.296 1.631 10 0 ADAERN CC/C=C\C[C@H](O)C(=O)OCC 307984054 572347982 /nfs/dbraw/zinc/34/79/82/572347982.db2.gz RCVGSNZIMYTMRS-SLGIHZDVSA-N 0 0 172.224 1.267 10 0 ADAERN CCCCc1noc(COC)n1 307983866 572348004 /nfs/dbraw/zinc/34/80/04/572348004.db2.gz QIVWGYUITIZIHC-UHFFFAOYSA-N 0 0 170.212 1.559 10 0 ADAERN O[C@@H]1CCN2c3ccccc3OC[C@H]12 250535732 572348030 /nfs/dbraw/zinc/34/80/30/572348030.db2.gz PEMBJBLGMNVSCT-NXEZZACHSA-N 0 0 191.230 1.019 10 0 ADAERN CCCCC[C@@H]1CC1(CO)CO 238218842 572348057 /nfs/dbraw/zinc/34/80/57/572348057.db2.gz KHCCWAKEQSDLPY-SECBINFHSA-N 0 0 172.268 1.558 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])C(C)C 83613072 572348063 /nfs/dbraw/zinc/34/80/63/572348063.db2.gz IFJUZTVKAIXQJA-SSDOTTSWSA-N 0 0 159.229 1.095 10 0 ADAERN CCC(=O)OC1(C(N)=O)CCCCC1 238217718 572348065 /nfs/dbraw/zinc/34/80/65/572348065.db2.gz SUOFVXPROPGZFB-UHFFFAOYSA-N 0 0 199.250 1.128 10 0 ADAERN CC(C)[C@H](O)[C@H](C)[C@@H](C)CCO 238218052 572348070 /nfs/dbraw/zinc/34/80/70/572348070.db2.gz YTLULGDSLDWEMF-AEJSXWLSSA-N 0 0 174.284 1.658 10 0 ADAERN CCC/C=C/[C@H](O)SC(C)=O 238217648 572348137 /nfs/dbraw/zinc/34/81/37/572348137.db2.gz NQKMAAMLTVJVGC-HQZHTGGTSA-N 0 0 174.265 1.941 10 0 ADAERN CC[C@@H]1C(=O)NN[C@@H]1CCC1CC1 714378169 572348148 /nfs/dbraw/zinc/34/81/48/572348148.db2.gz MKRGAICCAKLTQA-DTWKUNHWSA-N 0 0 182.267 1.206 10 0 ADAERN CC(C)/C=C/C=C/C[C@@H]([NH3+])C(=O)[O-] 238218329 572348150 /nfs/dbraw/zinc/34/81/50/572348150.db2.gz MCJNESVOJZUEDN-KWKPFYDESA-N 0 0 183.251 1.557 10 0 ADAERN COc1c(C)cc(C)c(OC)c1C[NH3+] 214816022 572348211 /nfs/dbraw/zinc/34/82/11/572348211.db2.gz WNSPXZKWQITHKV-UHFFFAOYSA-N 0 0 195.262 1.779 10 0 ADAERN COCOC(=O)c1occc1C 307990375 572348231 /nfs/dbraw/zinc/34/82/31/572348231.db2.gz STLYLVQCINGYAV-UHFFFAOYSA-N 0 0 170.164 1.349 10 0 ADAERN CCC(CC)[C@H](CC(=O)[O-])[NH2+]C 83611645 572348233 /nfs/dbraw/zinc/34/82/33/572348233.db2.gz MUDQCPAEECOCIF-QMMMGPOBSA-N 0 0 173.256 1.485 10 0 ADAERN C/C=C\[C@H](C)C(C(C)=O)C(C)=O 210315178 572348266 /nfs/dbraw/zinc/34/82/66/572348266.db2.gz QKYGZXHQOSRUTD-RBSILHGTSA-N 0 0 168.236 1.993 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])c1ccc(F)cc1 83611437 572348278 /nfs/dbraw/zinc/34/82/78/572348278.db2.gz HOJATUQESCLNMO-SECBINFHSA-N 0 0 197.209 1.561 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])c1ccccc1 83613135 572348300 /nfs/dbraw/zinc/34/83/00/572348300.db2.gz CGSOFQSNVIOVLY-SNVBAGLBSA-N 0 0 193.246 1.812 10 0 ADAERN CC[C@@H](C)[C@@H](CC(=O)[O-])[NH2+]C 83611561 572348177 /nfs/dbraw/zinc/34/81/77/572348177.db2.gz GOJLBIVKHSUAJH-RNFRBKRXSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])c1ccccc1C 83611332 572348305 /nfs/dbraw/zinc/34/83/05/572348305.db2.gz IPMXMXPCXVPZAC-SNVBAGLBSA-N 0 0 193.246 1.730 10 0 ADAERN CCC[C@@H](C)N(C)C(=O)n1ccnc1 87031547 572348310 /nfs/dbraw/zinc/34/83/10/572348310.db2.gz WNKGIMYETVWAKD-SECBINFHSA-N 0 0 195.266 1.972 10 0 ADAERN CCOC(=O)C[C@@H]1CCC[C@H]1CO 210320658 572348353 /nfs/dbraw/zinc/34/83/53/572348353.db2.gz DFIJBMVGGXYTMA-IUCAKERBSA-N 0 0 186.251 1.348 10 0 ADAERN CC(C)CO[C@H](C)C/C=C\CO 307986242 572350192 /nfs/dbraw/zinc/35/01/92/572350192.db2.gz SQNPNTMJVGDPFC-UMCURTJPSA-N 0 0 172.268 1.986 10 0 ADAERN CC[C@@H](O)C/C=C(\C)C(=O)OC 307989722 572348374 /nfs/dbraw/zinc/34/83/74/572348374.db2.gz VVLLAGUCNUVKNR-WVXIBAHESA-N 0 0 172.224 1.267 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])[C@H](C)CC 83613152 572348376 /nfs/dbraw/zinc/34/83/76/572348376.db2.gz YFIDAZQFNGFVAQ-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@H]1CC[C@](CC(=O)[O-])([NH2+]C)C1 83611395 572348409 /nfs/dbraw/zinc/34/84/09/572348409.db2.gz QQTMQKCGNQYIPE-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN CC[NH2+][C@@H](CC(=O)[O-])[C@@H](C)CC 83613158 572348414 /nfs/dbraw/zinc/34/84/14/572348414.db2.gz YFIDAZQFNGFVAQ-YUMQZZPRSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@@H]1CC[C@@](CC(=O)[O-])([NH2+]C)C1 83611389 572348418 /nfs/dbraw/zinc/34/84/18/572348418.db2.gz QQTMQKCGNQYIPE-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CCC[C@@H](C)[C@@H](CC(=O)[O-])[NH2+]C 83611741 572348423 /nfs/dbraw/zinc/34/84/23/572348423.db2.gz PBZHISBWFOCHJU-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@H]1C(=O)NN[C@H]1CCC1CC1 714378068 572348449 /nfs/dbraw/zinc/34/84/49/572348449.db2.gz MKRGAICCAKLTQA-BDAKNGLRSA-N 0 0 182.267 1.206 10 0 ADAERN COCCS(=O)(=O)[C@H](C)C(C)C 307989831 572348517 /nfs/dbraw/zinc/34/85/17/572348517.db2.gz SPYOLBGBCRJDAV-MRVPVSSYSA-N 0 0 194.296 1.092 10 0 ADAERN CC[C@H](O)/C=C/C=C\C(=O)OC 307984043 572348472 /nfs/dbraw/zinc/34/84/72/572348472.db2.gz RBUSIQRYQHNDPN-QOBGWZRJSA-N 0 0 170.208 1.043 10 0 ADAERN CCC[C@H](C)N(C)C(=O)n1ccnc1 87031549 572348475 /nfs/dbraw/zinc/34/84/75/572348475.db2.gz WNKGIMYETVWAKD-VIFPVBQESA-N 0 0 195.266 1.972 10 0 ADAERN CC(C)[C@H](O)/C=C/C=C\CCO 307989693 572348489 /nfs/dbraw/zinc/34/84/89/572348489.db2.gz VRRYTSLWDHWGFK-DGKABRHWSA-N 0 0 170.252 1.498 10 0 ADAERN C[NH2+][C@@H](CC(=O)[O-])C1CCCC1 83611360 572348525 /nfs/dbraw/zinc/34/85/25/572348525.db2.gz DLUSBYUUBWVSBC-QMMMGPOBSA-N 0 0 171.240 1.239 10 0 ADAERN CCc1nnc(SC)nc1Cl 76536204 572348547 /nfs/dbraw/zinc/34/85/47/572348547.db2.gz YKYAILIBHJSCPA-UHFFFAOYSA-N 0 0 189.671 1.809 10 0 ADAERN CC[C@H]1CC[C@@](CC(=O)[O-])([NH2+]C)C1 83611391 572348562 /nfs/dbraw/zinc/34/85/62/572348562.db2.gz QQTMQKCGNQYIPE-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN CCC[C@H](C)[C@@H](CC(=O)[O-])[NH2+]CC 83613351 572350326 /nfs/dbraw/zinc/35/03/26/572350326.db2.gz UMHKMGZPBOHZAS-DTWKUNHWSA-N 0 0 187.283 1.875 10 0 ADAERN CC[NH2+][C@@](C)(CC(=O)[O-])C1CC1 83613411 572348575 /nfs/dbraw/zinc/34/85/75/572348575.db2.gz XETTZFSQPVVNLR-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])c1ccc(C)cc1 83611431 572348579 /nfs/dbraw/zinc/34/85/79/572348579.db2.gz ABMXBXFNNRXDLE-SNVBAGLBSA-N 0 0 193.246 1.730 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])C(CC)CC 83613148 572348596 /nfs/dbraw/zinc/34/85/96/572348596.db2.gz AVNNLZOJGCQGEJ-SECBINFHSA-N 0 0 187.283 1.875 10 0 ADAERN COc1ccc(C(=O)C2CC2)nn1 235009393 572348658 /nfs/dbraw/zinc/34/86/58/572348658.db2.gz IPPNZTFHGQNOLK-UHFFFAOYSA-N 0 0 178.191 1.078 10 0 ADAERN CCC[C@H](C)[C@H](CC(=O)[O-])[NH2+]C 83611748 572348684 /nfs/dbraw/zinc/34/86/84/572348684.db2.gz PBZHISBWFOCHJU-YUMQZZPRSA-N 0 0 173.256 1.485 10 0 ADAERN CC[NH2+][C@](CC)(CC(=O)[O-])C1CC1 83613450 572348707 /nfs/dbraw/zinc/34/87/07/572348707.db2.gz PMNJSNMXLMFNNI-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN CC(=O)O[C@H](C)C/C=C\[C@H](C)O 307990555 572348709 /nfs/dbraw/zinc/34/87/09/572348709.db2.gz WHXFDPUYQKKMSB-GBSWACPJSA-N 0 0 172.224 1.265 10 0 ADAERN CC[C@@H]1C(=O)NN[C@H]1CCC1CC1 714378170 572348713 /nfs/dbraw/zinc/34/87/13/572348713.db2.gz MKRGAICCAKLTQA-IUCAKERBSA-N 0 0 182.267 1.206 10 0 ADAERN CC(C)n1nccc1[C@H]1C[NH2+]CCO1 214816312 572348761 /nfs/dbraw/zinc/34/87/61/572348761.db2.gz QMPUEARKAFQGLL-SNVBAGLBSA-N 0 0 195.266 1.125 10 0 ADAERN C[NH2+][C@](C)(CCC(C)C)CC(=O)[O-] 83611511 572348766 /nfs/dbraw/zinc/34/87/66/572348766.db2.gz YTOLWAKUWCZYIL-SNVBAGLBSA-N 0 0 187.283 1.875 10 0 ADAERN CCCCCC1=C[C@H](O)C[S@@]1=O 307986684 572350357 /nfs/dbraw/zinc/35/03/57/572350357.db2.gz TUWIJUMMAMSDOS-UFBFGSQYSA-N 0 0 188.292 1.574 10 0 ADAERN CC(C)n1nccc1[C@@H]1C[NH2+]CCO1 214816266 572348779 /nfs/dbraw/zinc/34/87/79/572348779.db2.gz QMPUEARKAFQGLL-JTQLQIEISA-N 0 0 195.266 1.125 10 0 ADAERN C=C/C=C/CCNc1ccn(C)n1 713692656 572348812 /nfs/dbraw/zinc/34/88/12/572348812.db2.gz FKKLJDSLGYBNQY-SNAWJCMRSA-N 0 0 177.251 1.964 10 0 ADAERN CCC[C@@H](C)[C@@H](CC(=O)[O-])[NH2+]CC 83613349 572348824 /nfs/dbraw/zinc/34/88/24/572348824.db2.gz UMHKMGZPBOHZAS-RKDXNWHRSA-N 0 0 187.283 1.875 10 0 ADAERN CN(O)Cc1ccnn1CC1CCC1 214817140 572348847 /nfs/dbraw/zinc/34/88/47/572348847.db2.gz DWKBKKOGLGEPBB-UHFFFAOYSA-N 0 0 195.266 1.504 10 0 ADAERN CCC/C=C/[C@H](O)[C@H](C)C(=O)OC 238217757 572348859 /nfs/dbraw/zinc/34/88/59/572348859.db2.gz HCTWSTZDRRAUHO-YKAJXJTPSA-N 0 0 186.251 1.513 10 0 ADAERN CCCCC[C@@H](OCCO)[C@@H](C)O 238218028 572348880 /nfs/dbraw/zinc/34/88/80/572348880.db2.gz LVOMULORUMNOCP-NXEZZACHSA-N 0 0 190.283 1.325 10 0 ADAERN CCC(CC)(CC(=O)[O-])[NH2+]C 83611355 572348881 /nfs/dbraw/zinc/34/88/81/572348881.db2.gz KCAVLAVNKDFIBX-UHFFFAOYSA-N 0 0 159.229 1.239 10 0 ADAERN CCC[C@](C)(CC(=O)[O-])[NH2+]C 83611697 572348884 /nfs/dbraw/zinc/34/88/84/572348884.db2.gz LKYVHZTULNDDIT-MRVPVSSYSA-N 0 0 159.229 1.239 10 0 ADAERN CC(C)Cn1nccc1C(=O)[C@H](C)[NH3+] 214817328 572348913 /nfs/dbraw/zinc/34/89/13/572348913.db2.gz OGHSPCOTROIRCQ-QMMMGPOBSA-N 0 0 195.266 1.069 10 0 ADAERN CCC[C@@](C)(CC(=O)[O-])[NH2+]CC 83613255 572348939 /nfs/dbraw/zinc/34/89/39/572348939.db2.gz LFXNTOWCJFSEGE-VIFPVBQESA-N 0 0 173.256 1.629 10 0 ADAERN C[NH2+][C@@H](CC(=O)[O-])c1ccccc1F 83611611 572350643 /nfs/dbraw/zinc/35/06/43/572350643.db2.gz GVJANPZMIDOAKI-VIFPVBQESA-N 0 0 197.209 1.561 10 0 ADAERN CC(C)OC(=O)NCCc1c[nH]cn1 83611044 572348989 /nfs/dbraw/zinc/34/89/89/572348989.db2.gz RIBWYZOGZOKYCN-UHFFFAOYSA-N 0 0 197.238 1.087 10 0 ADAERN CC[C@@H]1CC[C@](CC(=O)[O-])([NH2+]C)C1 83611393 572349019 /nfs/dbraw/zinc/34/90/19/572349019.db2.gz QQTMQKCGNQYIPE-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CCC(CC)(C(=O)OC)[C@@H](C)O 238218789 572349035 /nfs/dbraw/zinc/34/90/35/572349035.db2.gz AMHZXGYNDJVILI-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN CCC/C=C/[C@H](O)[C@@H](F)C(=O)OC 238217712 572349038 /nfs/dbraw/zinc/34/90/38/572349038.db2.gz INUASJTXPATRDZ-LXBADBFVSA-N 0 0 190.214 1.215 10 0 ADAERN CCC/C=C/[C@H](O)[C@H](F)C(=O)OC 238217821 572349083 /nfs/dbraw/zinc/34/90/83/572349083.db2.gz INUASJTXPATRDZ-JBGJSGBSSA-N 0 0 190.214 1.215 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])c1ccccc1F 83611612 572349091 /nfs/dbraw/zinc/34/90/91/572349091.db2.gz GVJANPZMIDOAKI-SECBINFHSA-N 0 0 197.209 1.561 10 0 ADAERN C[NH2+]Cc1cc(C)c(O)c(C)c1OC 214811722 572349103 /nfs/dbraw/zinc/34/91/03/572349103.db2.gz RUKPGCFWSKFALS-UHFFFAOYSA-N 0 0 195.262 1.737 10 0 ADAERN CCCCOC(=O)N[C@H](C)OC 238217679 572349125 /nfs/dbraw/zinc/34/91/25/572349125.db2.gz JGQDXZYZCKABKB-ZETCQYMHSA-N 0 0 175.228 1.505 10 0 ADAERN CCC[C@@H](C)[C@H](CC(=O)[O-])[NH2+]CC 83613353 572349133 /nfs/dbraw/zinc/34/91/33/572349133.db2.gz UMHKMGZPBOHZAS-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CCCC[C@H](CC(=O)[O-])[NH2+]C 83611811 572349150 /nfs/dbraw/zinc/34/91/50/572349150.db2.gz ILOVFKWNCJIKLN-SSDOTTSWSA-N 0 0 159.229 1.239 10 0 ADAERN CCC(=O)OCCCCCCCO 238218121 572349151 /nfs/dbraw/zinc/34/91/51/572349151.db2.gz MLGAMWNBMZZQGF-UHFFFAOYSA-N 0 0 188.267 1.882 10 0 ADAERN CCCCC[C@@H](CC(=O)[O-])[NH2+]C 83611544 572349177 /nfs/dbraw/zinc/34/91/77/572349177.db2.gz QPAAGFDVCZHSBF-QMMMGPOBSA-N 0 0 173.256 1.629 10 0 ADAERN CC(C)[C@H](O)[C@H](C)[C@H](O)C(C)C 307987947 572349179 /nfs/dbraw/zinc/34/91/79/572349179.db2.gz UPIITWBUFQQTNX-OWUUHHOZSA-N 0 0 174.284 1.656 10 0 ADAERN CCCC[C@H](O)/C=C/C=C\CO 307985661 572349184 /nfs/dbraw/zinc/34/91/84/572349184.db2.gz SGLLCAWSGJIASR-GEXOUHINSA-N 0 0 170.252 1.642 10 0 ADAERN CCC[C@](C)(CC(=O)[O-])[NH2+]CC 83613256 572349191 /nfs/dbraw/zinc/34/91/91/572349191.db2.gz LFXNTOWCJFSEGE-SECBINFHSA-N 0 0 173.256 1.629 10 0 ADAERN CCCC[C@@H](O)[C@@H](C)/C=C\CO 307987923 572349198 /nfs/dbraw/zinc/34/91/98/572349198.db2.gz ULPOFUVQVMYEMK-NRAIBSHISA-N 0 0 172.268 1.722 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH2+]CC 83613457 572349205 /nfs/dbraw/zinc/34/92/05/572349205.db2.gz SIPMBFXWDLUHHJ-ZETCQYMHSA-N 0 0 159.229 1.239 10 0 ADAERN CCCCC[C@@H](O)[C@H]1COC(=O)N1 238217241 572349243 /nfs/dbraw/zinc/34/92/43/572349243.db2.gz KZLGQDPRPDXDOE-HTQZYQBOSA-N 0 0 187.239 1.036 10 0 ADAERN CCCCOC(=O)N[C@@H](C)OC 238217591 572349253 /nfs/dbraw/zinc/34/92/53/572349253.db2.gz JGQDXZYZCKABKB-SSDOTTSWSA-N 0 0 175.228 1.505 10 0 ADAERN CC[C@@H](O)[C@@H](C)[C@@H](O)CC(C)C 307985708 572349271 /nfs/dbraw/zinc/34/92/71/572349271.db2.gz SMZWMROKMGFNJY-BBBLOLIVSA-N 0 0 174.284 1.800 10 0 ADAERN CC[NH2+][C@@](C)(CC(=O)[O-])CC(C)C 83613260 572349281 /nfs/dbraw/zinc/34/92/81/572349281.db2.gz MKZXQSRORRMCTF-SNVBAGLBSA-N 0 0 187.283 1.875 10 0 ADAERN CCC[C@H](C)[C@H](CC(=O)[O-])[NH2+]CC 83613355 572349288 /nfs/dbraw/zinc/34/92/88/572349288.db2.gz UMHKMGZPBOHZAS-IUCAKERBSA-N 0 0 187.283 1.875 10 0 ADAERN O=C1CCC=CC[C@@H](O)CCO1 307985730 572349290 /nfs/dbraw/zinc/34/92/90/572349290.db2.gz SQEDJDUGQZARLS-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN COc1c(C)cc(C[NH3+])c(OC)c1C 214815959 572349314 /nfs/dbraw/zinc/34/93/14/572349314.db2.gz BJTAMKMILHPVCW-UHFFFAOYSA-N 0 0 195.262 1.779 10 0 ADAERN C[NH2+][C@@H](CC(=O)[O-])c1ccc(C)cc1 83611433 572349316 /nfs/dbraw/zinc/34/93/16/572349316.db2.gz ABMXBXFNNRXDLE-JTQLQIEISA-N 0 0 193.246 1.730 10 0 ADAERN CCC(CC)[C@@H](CC(=O)[O-])[NH2+]C 83611643 572349319 /nfs/dbraw/zinc/34/93/19/572349319.db2.gz MUDQCPAEECOCIF-MRVPVSSYSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H]1CC(=O)N2CCC[C@H]12 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MKZXQSRORRMCTF-JTQLQIEISA-N 0 0 187.283 1.875 10 0 ADAERN CCCC[C@H](CC(=O)[O-])[NH2+]CC 83613075 572351289 /nfs/dbraw/zinc/35/12/89/572351289.db2.gz STCCAWBVCKJLDG-MRVPVSSYSA-N 0 0 173.256 1.629 10 0 ADAERN C[C@H](O)C/C=C\C(C)(C)CCO 307985703 572351305 /nfs/dbraw/zinc/35/13/05/572351305.db2.gz SMMCZQFCHIUPON-RNEXMXFGSA-N 0 0 172.268 1.722 10 0 ADAERN CC[NH2+][C@@H](CC(=O)[O-])c1cccnc1 83613038 572351318 /nfs/dbraw/zinc/35/13/18/572351318.db2.gz HNBIDGDKWPGNJB-VIFPVBQESA-N 0 0 194.234 1.207 10 0 ADAERN c1cc(NC2CC2)no1 76571090 572351347 /nfs/dbraw/zinc/35/13/47/572351347.db2.gz AORLOOCMLBTAGW-UHFFFAOYSA-N 0 0 124.143 1.249 10 0 ADAERN c1cc(NC2CCC2)n[nH]1 76573543 572351403 /nfs/dbraw/zinc/35/14/03/572351403.db2.gz JCCJLUSFFGVQOE-UHFFFAOYSA-N 0 0 137.186 1.374 10 0 ADAERN CCC[C@H](C)[C@@H](CC(=O)[O-])[NH2+]C 83611743 572351408 /nfs/dbraw/zinc/35/14/08/572351408.db2.gz PBZHISBWFOCHJU-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN CC[NH2+][C@@H](CC(=O)[O-])C(C)C 83613070 572351417 /nfs/dbraw/zinc/35/14/17/572351417.db2.gz IFJUZTVKAIXQJA-ZETCQYMHSA-N 0 0 159.229 1.095 10 0 ADAERN CC[C@](CC(=O)[O-])([NH2+]C)C1CC1 83611917 572351437 /nfs/dbraw/zinc/35/14/37/572351437.db2.gz FWXYEZIAWNIYMY-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN O=C1C[C@H]2CS[C@@H]2C1 76572199 572351449 /nfs/dbraw/zinc/35/14/49/572351449.db2.gz PPKJXPDBGVPZHI-UJURSFKZSA-N 0 0 128.196 1.081 10 0 ADAERN CCCCC[C@@H]1COC(=O)C1=O 238220164 572351461 /nfs/dbraw/zinc/35/14/61/572351461.db2.gz MVFILSSHANOHEF-SSDOTTSWSA-N 0 0 170.208 1.309 10 0 ADAERN CC[NH2+][C@]1(CC(=O)[O-])CC[C@@H](C)C1 83613244 572351472 /nfs/dbraw/zinc/35/14/72/572351472.db2.gz KLTFDRPHIRBNER-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CCC[C@H]1C[C@@H]1C(=O)NCCF 307985527 572351511 /nfs/dbraw/zinc/35/15/11/572351511.db2.gz QWUDJKOUSPIPDG-YUMQZZPRSA-N 0 0 173.231 1.508 10 0 ADAERN CCSCCCOC(=O)[C@H](C)O 307985563 572351516 /nfs/dbraw/zinc/35/15/16/572351516.db2.gz QXLSQUVDDOSRTG-ZETCQYMHSA-N 0 0 192.280 1.054 10 0 ADAERN O=C1C[C@@H]2OCCC[C@@H]2C1 76574244 572351549 /nfs/dbraw/zinc/35/15/49/572351549.db2.gz UZXOXWRLTQCGOK-SVRRBLITSA-N 0 0 140.182 1.145 10 0 ADAERN c1cc(NC2CCC2)no1 76573674 572351609 /nfs/dbraw/zinc/35/16/09/572351609.db2.gz XSKPRXGYEDNFCN-UHFFFAOYSA-N 0 0 138.170 1.639 10 0 ADAERN O=C1C[C@@H]2COCC[C@@H]2C1 76574268 572351637 /nfs/dbraw/zinc/35/16/37/572351637.db2.gz TZLWKTRFOUZKNO-RNFRBKRXSA-N 0 0 140.182 1.002 10 0 ADAERN CCCC[C@@H](O)[C@@H](C)/C=C/CO 307987922 572351684 /nfs/dbraw/zinc/35/16/84/572351684.db2.gz ULPOFUVQVMYEMK-FQNVXPIYSA-N 0 0 172.268 1.722 10 0 ADAERN COC(C)(C)C(=O)OCC1CC1 307988016 572351708 /nfs/dbraw/zinc/35/17/08/572351708.db2.gz RYHTYCQNVNLGOK-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN CC[C@@H](CNC(=O)NC)C(C)C 307988482 572351721 /nfs/dbraw/zinc/35/17/21/572351721.db2.gz SBOIIGJBOFCZDB-QMMMGPOBSA-N 0 0 172.272 1.598 10 0 ADAERN CCCc1c(N)ccn1C 76573711 572351732 /nfs/dbraw/zinc/35/17/32/572351732.db2.gz ZDWBYVCKFMFEJP-UHFFFAOYSA-N 0 0 138.214 1.560 10 0 ADAERN Cc1n[nH]cc1NC(C)C 76573876 572351746 /nfs/dbraw/zinc/35/17/46/572351746.db2.gz IKAXLTLDQZGLOI-UHFFFAOYSA-N 0 0 139.202 1.538 10 0 ADAERN OCCC/C=C/c1ccccn1 238641815 572351748 /nfs/dbraw/zinc/35/17/48/572351748.db2.gz WPXZBNGZTJBDPD-QHHAFSJGSA-N 0 0 163.220 1.867 10 0 ADAERN O=C1CC[C@H]2SC[C@H]2C1 76575600 572351847 /nfs/dbraw/zinc/35/18/47/572351847.db2.gz MZALUWXWDOJBDN-IYSWYEEDSA-N 0 0 142.223 1.471 10 0 ADAERN CCc1cn(C)cc1C=O 76573486 572351891 /nfs/dbraw/zinc/35/18/91/572351891.db2.gz KJXFRAHLHMCYIX-UHFFFAOYSA-N 0 0 137.182 1.400 10 0 ADAERN CC[NH2+][C@]1(CC(=O)[O-])CCC[C@H]1C 83613581 572351946 /nfs/dbraw/zinc/35/19/46/572351946.db2.gz RQXFSOADVRWOKB-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN O=C1CC[C@H]2SC[C@@H]2C1 76575588 572351952 /nfs/dbraw/zinc/35/19/52/572351952.db2.gz MZALUWXWDOJBDN-CAHLUQPWSA-N 0 0 142.223 1.471 10 0 ADAERN O=C1C[C@H]2CCS[C@H]2C1 76575619 572351959 /nfs/dbraw/zinc/35/19/59/572351959.db2.gz QWIONEXECBHDMF-VDTYLAMSSA-N 0 0 142.223 1.471 10 0 ADAERN O=C1CCCC=CC[C@@H](O)CO1 307985692 572351998 /nfs/dbraw/zinc/35/19/98/572351998.db2.gz SLKCOCAVFZOXRT-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN CCCCC[C@@H]1COC(=O)[C@H]1O 238220235 572352009 /nfs/dbraw/zinc/35/20/09/572352009.db2.gz ZXRKGWYKHSMWST-SFYZADRCSA-N 0 0 172.224 1.101 10 0 ADAERN CCC[NH2+][C@@H](CC(=O)[O-])[C@@H](C)CC 83614474 572352016 /nfs/dbraw/zinc/35/20/16/572352016.db2.gz OKBPVPCUWZMTIH-IUCAKERBSA-N 0 0 187.283 1.875 10 0 ADAERN CCCCC(=O)OC/C=C\CO 307985674 572352031 /nfs/dbraw/zinc/35/20/31/572352031.db2.gz SIUIJKZLOOQEBG-PLNGDYQASA-N 0 0 172.224 1.268 10 0 ADAERN CCO[C@@H]1CC[C@]1(C)[C@H](O)CC 307985691 572352035 /nfs/dbraw/zinc/35/20/35/572352035.db2.gz SLGGXYMXDKFZGH-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN CC[NH2+][C@](C)(CC(=O)[O-])C(C)C 83613500 572352254 /nfs/dbraw/zinc/35/22/54/572352254.db2.gz WNZAWXYVNSHVCQ-SECBINFHSA-N 0 0 173.256 1.485 10 0 ADAERN CCC[NH2+][C@](C)(CC(=O)[O-])C1CC1 83614646 572352274 /nfs/dbraw/zinc/35/22/74/572352274.db2.gz FSDCPTWMJCIXHO-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN c1ncc(NC2CCC2)o1 76573667 572352284 /nfs/dbraw/zinc/35/22/84/572352284.db2.gz DMNFLCVXHPWSEU-UHFFFAOYSA-N 0 0 138.170 1.639 10 0 ADAERN O=C1C[C@H]2CS[C@H]2C1 76572205 572352323 /nfs/dbraw/zinc/35/23/23/572352323.db2.gz PPKJXPDBGVPZHI-NJGYIYPDSA-N 0 0 128.196 1.081 10 0 ADAERN CC[NH2+][C@@]1(CC(=O)[O-])CCC[C@H]1C 83613583 572352325 /nfs/dbraw/zinc/35/23/25/572352325.db2.gz RQXFSOADVRWOKB-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN O=C1C[C@@H]2CCCO[C@@H]2C1 76574254 572352373 /nfs/dbraw/zinc/35/23/73/572352373.db2.gz UZXOXWRLTQCGOK-POYBYMJQSA-N 0 0 140.182 1.145 10 0 ADAERN Nc1ccnc(-c2ccc(C=O)cc2)n1 238648462 572352380 /nfs/dbraw/zinc/35/23/80/572352380.db2.gz BATZMHBGCLPMPV-UHFFFAOYSA-N 0 0 199.213 1.538 10 0 ADAERN CCCCC[C@@H]1COC(=O)[C@@H]1O 238220209 572352402 /nfs/dbraw/zinc/35/24/02/572352402.db2.gz ZXRKGWYKHSMWST-HTQZYQBOSA-N 0 0 172.224 1.101 10 0 ADAERN c1ncc(NC2CC2)o1 76571085 572352438 /nfs/dbraw/zinc/35/24/38/572352438.db2.gz PILUHPLFWIYROG-UHFFFAOYSA-N 0 0 124.143 1.249 10 0 ADAERN C[C@@H]1CCSCC1=O 76572868 572352443 /nfs/dbraw/zinc/35/24/43/572352443.db2.gz DWDPAXLQHGDGCT-RXMQYKEDSA-N 0 0 130.212 1.329 10 0 ADAERN O=C1NCCc2c1cnc1ccccc21 238647280 572352494 /nfs/dbraw/zinc/35/24/94/572352494.db2.gz VITMZIPSALKVGW-UHFFFAOYSA-N 0 0 198.225 1.521 10 0 ADAERN O=C1CC[C@@H]2SC[C@@H]2C1 76575604 572352526 /nfs/dbraw/zinc/35/25/26/572352526.db2.gz MZALUWXWDOJBDN-FSPLSTOPSA-N 0 0 142.223 1.471 10 0 ADAERN CC(C)c1c(N)ccn1C 76573705 572352541 /nfs/dbraw/zinc/35/25/41/572352541.db2.gz HDHASTAUZDQVML-UHFFFAOYSA-N 0 0 138.214 1.731 10 0 ADAERN COCOc1c(C)cccc1CO 140993441 572352553 /nfs/dbraw/zinc/35/25/53/572352553.db2.gz DBUNKQQIXTZEJD-UHFFFAOYSA-N 0 0 182.219 1.470 10 0 ADAERN CC[NH2+]Cc1ccn(C(F)F)n1 307988921 572352583 /nfs/dbraw/zinc/35/25/83/572352583.db2.gz SGKJDERIOSAWAY-UHFFFAOYSA-N 0 0 175.182 1.388 10 0 ADAERN CCC[NH2+]C1(CC(=O)[O-])CCCC1 83614464 572352584 /nfs/dbraw/zinc/35/25/84/572352584.db2.gz BRYPWZSWXOYDSP-UHFFFAOYSA-N 0 0 185.267 1.774 10 0 ADAERN CC[NH2+][C@@H](CC(=O)[O-])C1CCCC1 83613490 572352609 /nfs/dbraw/zinc/35/26/09/572352609.db2.gz UMBYHNWAOCQBRZ-VIFPVBQESA-N 0 0 185.267 1.629 10 0 ADAERN CCC[NH2+][C@H](CCC)CC(=O)[O-] 83614678 572352622 /nfs/dbraw/zinc/35/26/22/572352622.db2.gz CEKDNNVQENBSNJ-MRVPVSSYSA-N 0 0 173.256 1.629 10 0 ADAERN CCC[NH2+][C@@H](CC(=O)[O-])CC(C)C 83614383 572352645 /nfs/dbraw/zinc/35/26/45/572352645.db2.gz GVVFQJATHQARQT-SECBINFHSA-N 0 0 187.283 1.875 10 0 ADAERN CCc1cc(C=O)cn1C 76573526 572352649 /nfs/dbraw/zinc/35/26/49/572352649.db2.gz XYWLKUBAPZTWPI-UHFFFAOYSA-N 0 0 137.182 1.400 10 0 ADAERN CCC[NH2+][C@@H](CC)CC(=O)[O-] 83614673 572352662 /nfs/dbraw/zinc/35/26/62/572352662.db2.gz PYJVLRUSUWQMIB-ZETCQYMHSA-N 0 0 159.229 1.239 10 0 ADAERN c1coc(NC2CCC2)n1 76573688 572352694 /nfs/dbraw/zinc/35/26/94/572352694.db2.gz VTPHWFMWLQCNHI-UHFFFAOYSA-N 0 0 138.170 1.639 10 0 ADAERN O=C1C[C@@H]2SC[C@H]2C1 76572203 572352785 /nfs/dbraw/zinc/35/27/85/572352785.db2.gz PPKJXPDBGVPZHI-XINAWCOVSA-N 0 0 128.196 1.081 10 0 ADAERN O=c1cc[nH]c2c3ccccc3nn12 238643291 572353043 /nfs/dbraw/zinc/35/30/43/572353043.db2.gz YHKUUGQLRSVDKL-UHFFFAOYSA-N 0 0 185.186 1.176 10 0 ADAERN OCCC=C=C/C=C/CCO 238645765 572352876 /nfs/dbraw/zinc/35/28/76/572352876.db2.gz RAMBGEXQNSVEHY-DUXPYHPUSA-N 0 0 154.209 1.019 10 0 ADAERN O=C(CCCO)[C@@H]1C[C@@H]1C1CC1 238648185 572352893 /nfs/dbraw/zinc/35/28/93/572352893.db2.gz USXZDQPUKNRVLJ-RKDXNWHRSA-N 0 0 168.236 1.374 10 0 ADAERN CC(C)=CCOC/C(C)=C\CO 307988830 572352897 /nfs/dbraw/zinc/35/28/97/572352897.db2.gz VAAMPGJYKORPBM-WMZJFQQLSA-N 0 0 170.252 1.908 10 0 ADAERN CC1(C)C[C@@]2(C)O[C@H]2C1=O 140950475 572352913 /nfs/dbraw/zinc/35/29/13/572352913.db2.gz YJSZFJDVWILTRK-POYBYMJQSA-N 0 0 140.182 1.143 10 0 ADAERN CC[NH2+][C@@]1(CC(=O)[O-])CCC[C@@H]1C 83613579 572352918 /nfs/dbraw/zinc/35/29/18/572352918.db2.gz RQXFSOADVRWOKB-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN Nc1ccnc(C(=O)c2ccccc2)c1 238646622 572352921 /nfs/dbraw/zinc/35/29/21/572352921.db2.gz ZZFSSPFUPKVFMX-UHFFFAOYSA-N 0 0 198.225 1.895 10 0 ADAERN CCC[NH2+][C@@H](CC(=O)[O-])[C@H](C)CC 83614477 572352941 /nfs/dbraw/zinc/35/29/41/572352941.db2.gz OKBPVPCUWZMTIH-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CC[C@H](O)[C@H](C)/C=C/C=C/CO 307988853 572353005 /nfs/dbraw/zinc/35/30/05/572353005.db2.gz VCMRYWVDIWZXJZ-TZFDUBSRSA-N 0 0 170.252 1.498 10 0 ADAERN NC(=O)CCCCc1cccc(N)c1 238642833 572353021 /nfs/dbraw/zinc/35/30/21/572353021.db2.gz UKUVKAFVSDIIFF-UHFFFAOYSA-N 0 0 192.262 1.467 10 0 ADAERN CC[C@@H]1C(=O)NN[C@]12C[C@H](C)[C@@H]2C 714379958 572353030 /nfs/dbraw/zinc/35/30/30/572353030.db2.gz DHGNNSZPAAGRNR-OORONAJNSA-N 0 0 182.267 1.062 10 0 ADAERN CCC[NH2+][C@H](CC(=O)[O-])[C@@H](C)CC 83614475 572353035 /nfs/dbraw/zinc/35/30/35/572353035.db2.gz OKBPVPCUWZMTIH-DTWKUNHWSA-N 0 0 187.283 1.875 10 0 ADAERN CC[C@@H]1C(=O)NN[C@]12C[C@@H](C)[C@H]2C 714379956 572353040 /nfs/dbraw/zinc/35/30/40/572353040.db2.gz DHGNNSZPAAGRNR-DQUBFYRCSA-N 0 0 182.267 1.062 10 0 ADAERN CC(C)[C@H]1CCOCC1=O 76575491 572353053 /nfs/dbraw/zinc/35/30/53/572353053.db2.gz WTGHXRRKNLPOCY-SSDOTTSWSA-N 0 0 142.198 1.248 10 0 ADAERN CCC[C@@H]1CCOCC1=O 76575506 572353056 /nfs/dbraw/zinc/35/30/56/572353056.db2.gz LJXBBVNSGVTOFI-SSDOTTSWSA-N 0 0 142.198 1.392 10 0 ADAERN CC(C)c1cc(N)cn1C 76573699 572353100 /nfs/dbraw/zinc/35/31/00/572353100.db2.gz LBJSANQLXQEDRT-UHFFFAOYSA-N 0 0 138.214 1.731 10 0 ADAERN CCC[NH2+][C@@](C)(CC(=O)[O-])C1CC1 83614645 572353123 /nfs/dbraw/zinc/35/31/23/572353123.db2.gz FSDCPTWMJCIXHO-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN CC[C@@H]1C(=O)NN[C@]12C[C@H](C)[C@H]2C 714379959 572353130 /nfs/dbraw/zinc/35/31/30/572353130.db2.gz DHGNNSZPAAGRNR-WHQQTDPMSA-N 0 0 182.267 1.062 10 0 ADAERN Cc1[nH][nH]c2ccnc1-2 76570979 572353155 /nfs/dbraw/zinc/35/31/55/572353155.db2.gz MAIMEPXCYQPFFG-UHFFFAOYSA-N 0 0 121.143 1.199 10 0 ADAERN CC1(C)C[C@H]1/C=C\CO 210361261 572354435 /nfs/dbraw/zinc/35/44/35/572354435.db2.gz IQOZLJBSPAXVPF-KFOINNEUSA-N 0 0 126.199 1.581 10 0 ADAERN CCC[NH2+][C@@H](CCC)CC(=O)[O-] 83614677 572353219 /nfs/dbraw/zinc/35/32/19/572353219.db2.gz CEKDNNVQENBSNJ-QMMMGPOBSA-N 0 0 173.256 1.629 10 0 ADAERN CCC[NH2+][C@](C)(CC(=O)[O-])C(C)C 83614709 572353502 /nfs/dbraw/zinc/35/35/02/572353502.db2.gz CCWDZOXYNOPBRF-SNVBAGLBSA-N 0 0 187.283 1.875 10 0 ADAERN O=C1CC2=C(CCN1)Cc1ccccc12 238647345 572353241 /nfs/dbraw/zinc/35/32/41/572353241.db2.gz UHTWEMOAEULNCK-UHFFFAOYSA-N 0 0 199.253 1.906 10 0 ADAERN CC1(C)CC[C@H](CCO)O1 140990885 572355008 /nfs/dbraw/zinc/35/50/08/572355008.db2.gz RTCOOAFFLFSWTK-SSDOTTSWSA-N 0 0 144.214 1.326 10 0 ADAERN C/C=C/O[C@H]1CCCC[C@@H]1O 140947271 572353257 /nfs/dbraw/zinc/35/32/57/572353257.db2.gz XUIVOXFDQZYIJX-FXOABRIKSA-N 0 0 156.225 1.840 10 0 ADAERN Cc1nn(C)c2cc[nH]c12 76573392 572353276 /nfs/dbraw/zinc/35/32/76/572353276.db2.gz FMRMWDDYBXTWAJ-UHFFFAOYSA-N 0 0 135.170 1.210 10 0 ADAERN CC/C(=C/CO)CCC(=O)OC 307988818 572353291 /nfs/dbraw/zinc/35/32/91/572353291.db2.gz UYFJTHWPMGYEFA-VURMDHGXSA-N 0 0 172.224 1.268 10 0 ADAERN O=c1cc(CO)[nH]cc1-c1ccoc1 140912605 572353304 /nfs/dbraw/zinc/35/33/04/572353304.db2.gz UBOODMAKFIJMOM-UHFFFAOYSA-N 0 0 191.186 1.127 10 0 ADAERN CCC[NH2+][C@H](CC)CC(=O)[O-] 83614675 572353318 /nfs/dbraw/zinc/35/33/18/572353318.db2.gz PYJVLRUSUWQMIB-SSDOTTSWSA-N 0 0 159.229 1.239 10 0 ADAERN Cc1oc(=S)oc1CO 140989555 572353347 /nfs/dbraw/zinc/35/33/47/572353347.db2.gz ZTNAPYKXBHMOHW-UHFFFAOYSA-N 0 0 146.167 1.403 10 0 ADAERN C[C@H]1CCSCC1=O 76572871 572353348 /nfs/dbraw/zinc/35/33/48/572353348.db2.gz DWDPAXLQHGDGCT-YFKPBYRVSA-N 0 0 130.212 1.329 10 0 ADAERN CCc1c(N)ccn1C 76571114 572353352 /nfs/dbraw/zinc/35/33/52/572353352.db2.gz GYWNMTHEOBZSHE-UHFFFAOYSA-N 0 0 124.187 1.170 10 0 ADAERN CCCCOC(=O)[C@H](O)c1ccco1 238220198 572353390 /nfs/dbraw/zinc/35/33/90/572353390.db2.gz XMBSKTCKZLXAJK-SECBINFHSA-N 0 0 198.218 1.656 10 0 ADAERN CCC[C@H]1CCOCC1=O 76575514 572353402 /nfs/dbraw/zinc/35/34/02/572353402.db2.gz LJXBBVNSGVTOFI-ZETCQYMHSA-N 0 0 142.198 1.392 10 0 ADAERN CC[C@@H]1C(=O)NN[C@]12C[C@@H](C)[C@@H]2C 714379957 572353436 /nfs/dbraw/zinc/35/34/36/572353436.db2.gz DHGNNSZPAAGRNR-JIOCBJNQSA-N 0 0 182.267 1.062 10 0 ADAERN CCC[NH2+][C@@](C)(CC(=O)[O-])C(C)C 83614707 572353462 /nfs/dbraw/zinc/35/34/62/572353462.db2.gz CCWDZOXYNOPBRF-JTQLQIEISA-N 0 0 187.283 1.875 10 0 ADAERN O=C(CC1CCCC1)N1CCOC1=O 140927835 572353475 /nfs/dbraw/zinc/35/34/75/572353475.db2.gz XKRNGIKUQSEJKL-UHFFFAOYSA-N 0 0 197.234 1.546 10 0 ADAERN COCCSCC1(O)CCCC1 83588301 572355932 /nfs/dbraw/zinc/35/59/32/572355932.db2.gz CNXLGVSQQLKJPK-UHFFFAOYSA-N 0 0 190.308 1.671 10 0 ADAERN CC1(C)CC[C@@H](CCO)O1 140991072 572353531 /nfs/dbraw/zinc/35/35/31/572353531.db2.gz RTCOOAFFLFSWTK-ZETCQYMHSA-N 0 0 144.214 1.326 10 0 ADAERN NSc1cccs1 140994033 572353551 /nfs/dbraw/zinc/35/35/51/572353551.db2.gz ZOYGCECVAYPVEX-UHFFFAOYSA-N 0 0 131.225 1.714 10 0 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/nfs/dbraw/zinc/35/84/04/572358404.db2.gz YPKJLBYNOKRORG-UHFFFAOYSA-N 0 0 151.213 1.683 10 0 ADAERN O=C1CC[C@@H]2OCCC[C@H]2C1 76590068 572358405 /nfs/dbraw/zinc/35/84/05/572358405.db2.gz YSNFGGPHCMTUTH-CBAPKCEASA-N 0 0 154.209 1.535 10 0 ADAERN CN1CCCNc2cocc21 76589352 572358426 /nfs/dbraw/zinc/35/84/26/572358426.db2.gz XBWUDSDIRXCFKW-UHFFFAOYSA-N 0 0 152.197 1.531 10 0 ADAERN O=C1CC[C@H]2CCOC[C@H]2C1 76590080 572358449 /nfs/dbraw/zinc/35/84/49/572358449.db2.gz PCEVYRAQAZIWSV-JGVFFNPUSA-N 0 0 154.209 1.392 10 0 ADAERN Cc1no[n+]([O-])c1-c1ccccc1 39407490 572358506 /nfs/dbraw/zinc/35/85/06/572358506.db2.gz QWDAWMYUIOELBQ-UHFFFAOYSA-N 0 0 176.175 1.283 10 0 ADAERN Cc1cc(NC2CCC2)no1 76589372 572358525 /nfs/dbraw/zinc/35/85/25/572358525.db2.gz WVNGKDMYEXUUIB-UHFFFAOYSA-N 0 0 152.197 1.947 10 0 ADAERN COC(=O)[C@@H](NC1CCC1)C1CC1 234534669 572358560 /nfs/dbraw/zinc/35/85/60/572358560.db2.gz HGWZDDUZCTXHSV-VIFPVBQESA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1C[C@H]2CC(=O)C[C@@H]2CO1 76590100 572358634 /nfs/dbraw/zinc/35/86/34/572358634.db2.gz VOPRACZDSYVENW-GJMOJQLCSA-N 0 0 154.209 1.391 10 0 ADAERN O=C1CC[C@H]2OCCC[C@H]2C1 76590074 572358699 /nfs/dbraw/zinc/35/86/99/572358699.db2.gz YSNFGGPHCMTUTH-IONNQARKSA-N 0 0 154.209 1.535 10 0 ADAERN C[C@@H]1OCC[C@H]2CC(=O)C[C@H]21 76590110 572358722 /nfs/dbraw/zinc/35/87/22/572358722.db2.gz KWLKDSQGLNWVOX-ZKWXMUAHSA-N 0 0 154.209 1.391 10 0 ADAERN O=C1C=C[C@H](C2CCCC2)O1 76589316 572358742 /nfs/dbraw/zinc/35/87/42/572358742.db2.gz UTEKUMVDIAFFFJ-MRVPVSSYSA-N 0 0 152.193 1.658 10 0 ADAERN CCOC(=O)C=C1NCCCS1 140974397 572358790 /nfs/dbraw/zinc/35/87/90/572358790.db2.gz URUAZIHCBKRAOF-VOTSOKGWSA-N 0 0 187.264 1.117 10 0 ADAERN OCCCCCC[C@H]1COCO1 238657029 572358793 /nfs/dbraw/zinc/35/87/93/572358793.db2.gz XAUKZJNLUILHTA-VIFPVBQESA-N 0 0 174.240 1.302 10 0 ADAERN OCCCCCO[C@H]1CCCO1 238658004 572358839 /nfs/dbraw/zinc/35/88/39/572358839.db2.gz DUTSYHKNXJBQIU-SECBINFHSA-N 0 0 174.240 1.302 10 0 ADAERN CN1CCCNc2occc21 76589359 572358863 /nfs/dbraw/zinc/35/88/63/572358863.db2.gz IXBVZGGOLHGGJS-UHFFFAOYSA-N 0 0 152.197 1.531 10 0 ADAERN OCCCCC[C@]1(O)CCCCO1 238659301 572358906 /nfs/dbraw/zinc/35/89/06/572358906.db2.gz XPBXDRGPDWDVNL-SNVBAGLBSA-N 0 0 188.267 1.428 10 0 ADAERN C[C@@H]1CSC2=C(S1)C(=N)NC2=N 141003239 572358955 /nfs/dbraw/zinc/35/89/55/572358955.db2.gz QBFLDKKKORWJFU-GSVOUGTGSA-N 0 0 199.304 1.415 10 0 ADAERN c1cc(NC2CCCC2)n[nH]1 76589237 572358963 /nfs/dbraw/zinc/35/89/63/572358963.db2.gz WNMJRZVCCXAGCR-UHFFFAOYSA-N 0 0 151.213 1.764 10 0 ADAERN O=C1C=C2c3ccccc3C[C@@H]2CCN1 238656896 572358971 /nfs/dbraw/zinc/35/89/71/572358971.db2.gz NAKCMZJUIPAZSC-JTQLQIEISA-N 0 0 199.253 1.762 10 0 ADAERN COC(=O)N1C(=O)Cc2ccccc21 140973136 572358972 /nfs/dbraw/zinc/35/89/72/572358972.db2.gz JJCVYMJAZLMUST-UHFFFAOYSA-N 0 0 191.186 1.342 10 0 ADAERN CC/C=C/CC[C@H](O)CCO 238220635 572361269 /nfs/dbraw/zinc/36/12/69/572361269.db2.gz NKYRXEDTGGCHEQ-NWALNABHSA-N 0 0 158.241 1.476 10 0 ADAERN OCCCCCC[C@@H]1COCO1 238656853 572359019 /nfs/dbraw/zinc/35/90/19/572359019.db2.gz XAUKZJNLUILHTA-SECBINFHSA-N 0 0 174.240 1.302 10 0 ADAERN OCCCCC[C@@]1(O)CCCCO1 238658818 572359053 /nfs/dbraw/zinc/35/90/53/572359053.db2.gz XPBXDRGPDWDVNL-JTQLQIEISA-N 0 0 188.267 1.428 10 0 ADAERN C[C@@H]1OCC[C@H]2CC(=O)C[C@@H]21 76590115 572359077 /nfs/dbraw/zinc/35/90/77/572359077.db2.gz KWLKDSQGLNWVOX-ACLDMZEESA-N 0 0 154.209 1.391 10 0 ADAERN O=C1C=C[C@H](CCCCCO)O1 238658666 572359083 /nfs/dbraw/zinc/35/90/83/572359083.db2.gz CJFXSWULSUZYCN-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN CCCCC[C@@H]1C[C@@H](CO)OC1=O 238220504 572359087 /nfs/dbraw/zinc/35/90/87/572359087.db2.gz PXTHRIWOTAUQRS-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)(CCn1ccnc1)C(N)=S 83638137 572359104 /nfs/dbraw/zinc/35/91/04/572359104.db2.gz ANLBXOLGOIHYIM-UHFFFAOYSA-N 0 0 197.307 1.586 10 0 ADAERN O=C(c1ccccc1)[C@@H](O)CC1C=C1 238658516 572359147 /nfs/dbraw/zinc/35/91/47/572359147.db2.gz ZDBOSOJYIBTPDU-NSHDSACASA-N 0 0 188.226 1.806 10 0 ADAERN Nc1nc2c(C3CC3)coc2c(=O)[nH]1 140980741 572359160 /nfs/dbraw/zinc/35/91/60/572359160.db2.gz HZKJATRASXMGFW-UHFFFAOYSA-N 0 0 191.190 1.388 10 0 ADAERN Cc1nnc(Cc2ccccc2N)o1 39407321 572359191 /nfs/dbraw/zinc/35/91/91/572359191.db2.gz FPJZCDRDQUCBED-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN CC[C@H](C)[C@H]1CCOCC1=O 76591770 572361275 /nfs/dbraw/zinc/36/12/75/572361275.db2.gz LEICYEJLLDMBHO-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN O=Cc1cc2n(c1)CCS2 76589606 572359221 /nfs/dbraw/zinc/35/92/21/572359221.db2.gz YUYUZZTWASSSSN-UHFFFAOYSA-N 0 0 153.206 1.406 10 0 ADAERN O=C1C=C[C@@H](CCCCCO)O1 238659171 572359232 /nfs/dbraw/zinc/35/92/32/572359232.db2.gz CJFXSWULSUZYCN-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN O=C1C=C2C(=Cc3ccccc32)CCN1 238657005 572359245 /nfs/dbraw/zinc/35/92/45/572359245.db2.gz UAAOLHHAFOSEIE-UHFFFAOYSA-N 0 0 197.237 1.987 10 0 ADAERN CC(=O)c1c(N)c(C)cn1C 76589331 572359258 /nfs/dbraw/zinc/35/92/58/572359258.db2.gz DCFYXTUINWHCLI-UHFFFAOYSA-N 0 0 152.197 1.118 10 0 ADAERN O=C1CC[C@@H]2CCOC[C@@H]2C1 76590082 572359292 /nfs/dbraw/zinc/35/92/92/572359292.db2.gz PCEVYRAQAZIWSV-SFYZADRCSA-N 0 0 154.209 1.392 10 0 ADAERN OCCCCCCCn1cccn1 238656321 572359346 /nfs/dbraw/zinc/35/93/46/572359346.db2.gz MNERLROSJIEEGY-UHFFFAOYSA-N 0 0 182.267 1.826 10 0 ADAERN O=C1CCNc2ccoc2N1 76589296 572359353 /nfs/dbraw/zinc/35/93/53/572359353.db2.gz ZOEGMMPAUBWUNR-UHFFFAOYSA-N 0 0 152.153 1.034 10 0 ADAERN Cc1cnc(NC2CCC2)o1 76589379 572359462 /nfs/dbraw/zinc/35/94/62/572359462.db2.gz MNVTUINTVIMWPJ-UHFFFAOYSA-N 0 0 152.197 1.947 10 0 ADAERN OCCCCCCN1CCSC1 238656374 572359487 /nfs/dbraw/zinc/35/94/87/572359487.db2.gz PEXYXGPVPQZQSP-UHFFFAOYSA-N 0 0 189.324 1.545 10 0 ADAERN O=C1CC2(OCCCO)CCC1CC2 238672408 572359519 /nfs/dbraw/zinc/35/95/19/572359519.db2.gz OUWYTSBFLOFQKF-UHFFFAOYSA-N 0 0 198.262 1.287 10 0 ADAERN CN1C[C@@H](C(F)(F)F)C(=O)NC1=O 39368641 572359520 /nfs/dbraw/zinc/35/95/20/572359520.db2.gz QPBIFPRIQQYAIQ-GSVOUGTGSA-N 0 0 196.128 1.187 10 0 ADAERN [NH3+][C@H](CCC1C=CC=CC=C1)C(=O)[O-] 238656785 572359544 /nfs/dbraw/zinc/35/95/44/572359544.db2.gz BFCPNASDDZKIPG-SNVBAGLBSA-N 0 0 193.246 1.477 10 0 ADAERN O=C1CCNc2occc2N1 76589299 572359550 /nfs/dbraw/zinc/35/95/50/572359550.db2.gz NSNMROQHTFMTQE-UHFFFAOYSA-N 0 0 152.153 1.034 10 0 ADAERN CCCc1cn(C)cc1C=O 76589209 572359555 /nfs/dbraw/zinc/35/95/55/572359555.db2.gz QPRIZNIQYIOBFU-UHFFFAOYSA-N 0 0 151.209 1.790 10 0 ADAERN OCC/C=C/CCCCCCO 238657196 572359602 /nfs/dbraw/zinc/35/96/02/572359602.db2.gz RTLLMTOXCXMUIZ-HWKANZROSA-N 0 0 172.268 1.868 10 0 ADAERN O=C1C=C(c2cc3ccccc3o2)CN1 238655858 572359676 /nfs/dbraw/zinc/35/96/76/572359676.db2.gz WQYCZXXEMQJLGI-UHFFFAOYSA-N 0 0 199.209 1.946 10 0 ADAERN OCCCCCO[C@@H]1CCCO1 238657983 572359682 /nfs/dbraw/zinc/35/96/82/572359682.db2.gz DUTSYHKNXJBQIU-VIFPVBQESA-N 0 0 174.240 1.302 10 0 ADAERN Cc1c(F)cnc2c1CCO2 76589496 572359712 /nfs/dbraw/zinc/35/97/12/572359712.db2.gz MXXTYSISRYCDEW-UHFFFAOYSA-N 0 0 153.156 1.464 10 0 ADAERN C[C@H]1CNc2occc2N1C 76589357 572359739 /nfs/dbraw/zinc/35/97/39/572359739.db2.gz BJAZOYXODCGZRE-LURJTMIESA-N 0 0 152.197 1.530 10 0 ADAERN Cc1cc2c(o1)COCC2=O 76589257 572359742 /nfs/dbraw/zinc/35/97/42/572359742.db2.gz DLTBJTYIWPFUMS-UHFFFAOYSA-N 0 0 152.149 1.301 10 0 ADAERN C[C@H]1CNc2cocc2N1C 76589349 572359747 /nfs/dbraw/zinc/35/97/47/572359747.db2.gz PDQJOVJRGVSWDV-LURJTMIESA-N 0 0 152.197 1.530 10 0 ADAERN O=C1C=C2c3ccccc3C[C@H]2CCN1 238656605 572359754 /nfs/dbraw/zinc/35/97/54/572359754.db2.gz NAKCMZJUIPAZSC-SNVBAGLBSA-N 0 0 199.253 1.762 10 0 ADAERN OCCCCCCCOP(O)O 238656034 572359805 /nfs/dbraw/zinc/35/98/05/572359805.db2.gz ALIGGOUKXMUABH-UHFFFAOYSA-N 0 0 196.183 1.157 10 0 ADAERN CCCS[C@@H]1CCC(=O)N1 140976956 572359823 /nfs/dbraw/zinc/35/98/23/572359823.db2.gz ROICGKPMHCGUIW-SSDOTTSWSA-N 0 0 159.254 1.366 10 0 ADAERN CC(C)(CCn1cccn1)C(N)=S 83638133 572359834 /nfs/dbraw/zinc/35/98/34/572359834.db2.gz JECFVXDUJCSXCX-UHFFFAOYSA-N 0 0 197.307 1.586 10 0 ADAERN C[C@@H]1CNc2ccoc2N1C 76589361 572359848 /nfs/dbraw/zinc/35/98/48/572359848.db2.gz QCROGGUMKFWFNB-ZCFIWIBFSA-N 0 0 152.197 1.530 10 0 ADAERN OC1(c2ccccc2C2(O)CC2)CC1 196887074 572359888 /nfs/dbraw/zinc/35/98/88/572359888.db2.gz BFSAUZGLTWEBLB-UHFFFAOYSA-N 0 0 190.242 1.649 10 0 ADAERN C[C@@H]1CNc2cocc2N1C 76589348 572359889 /nfs/dbraw/zinc/35/98/89/572359889.db2.gz PDQJOVJRGVSWDV-ZCFIWIBFSA-N 0 0 152.197 1.530 10 0 ADAERN CCC[C@]([NH2+]C)(C(=O)[O-])C1CC1 307997787 572361298 /nfs/dbraw/zinc/36/12/98/572361298.db2.gz DHJJPIDWPLWISR-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN O=C1CC[C@H]2OCCC[C@@H]2C1 76590072 572359911 /nfs/dbraw/zinc/35/99/11/572359911.db2.gz YSNFGGPHCMTUTH-VXNVDRBHSA-N 0 0 154.209 1.535 10 0 ADAERN O=C1C[C@H]2CCCS[C@@H]2C1 76591915 572361299 /nfs/dbraw/zinc/36/12/99/572361299.db2.gz YGSOTBUSHKVLOJ-HTRCEHHLSA-N 0 0 156.250 1.861 10 0 ADAERN CC(C)(CO)Oc1cccc(C=O)c1 687824955 572359960 /nfs/dbraw/zinc/35/99/60/572359960.db2.gz PCPWZNMANXKSHI-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN CCC[C@@]([NH2+]C)(C(=O)[O-])C1CC1 307997794 572359983 /nfs/dbraw/zinc/35/99/83/572359983.db2.gz DHJJPIDWPLWISR-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@H]1CNc2occc2N1C 76589354 572359994 /nfs/dbraw/zinc/35/99/94/572359994.db2.gz BJAZOYXODCGZRE-ZCFIWIBFSA-N 0 0 152.197 1.530 10 0 ADAERN CCCC[C@@H]([NH2+]CCF)C(=O)[O-] 307998125 572360066 /nfs/dbraw/zinc/36/00/66/572360066.db2.gz DXIRYZBAUCFLQZ-SSDOTTSWSA-N 0 0 177.219 1.189 10 0 ADAERN C[C@H]1CNc2ccoc2N1C 76589364 572360105 /nfs/dbraw/zinc/36/01/05/572360105.db2.gz QCROGGUMKFWFNB-LURJTMIESA-N 0 0 152.197 1.530 10 0 ADAERN CC(C)c1ccc(C=O)n1C 76589208 572360137 /nfs/dbraw/zinc/36/01/37/572360137.db2.gz PIIWZNVZDPWXKO-UHFFFAOYSA-N 0 0 151.209 1.961 10 0 ADAERN CC(C)(C)c1nc(C=O)co1 76589500 572360181 /nfs/dbraw/zinc/36/01/81/572360181.db2.gz SXYHWTSBNMUSEX-UHFFFAOYSA-N 0 0 153.181 1.785 10 0 ADAERN CN[C@@H](C)c1nnc(NC(C)C)o1 234425474 572360233 /nfs/dbraw/zinc/36/02/33/572360233.db2.gz GVKHHJZDOHNMPE-LURJTMIESA-N 0 0 184.243 1.170 10 0 ADAERN CCC(=O)NCCn1nc(C)cc1C 44158696 572360255 /nfs/dbraw/zinc/36/02/55/572360255.db2.gz HYFQYHRAFHKMQS-UHFFFAOYSA-N 0 0 195.266 1.026 10 0 ADAERN CCOC(=O)C[C@H](C)[C@H](C)F 210410782 572360260 /nfs/dbraw/zinc/36/02/60/572360260.db2.gz GNJSHLWWVFPRLE-BQBZGAKWSA-N 0 0 162.204 1.934 10 0 ADAERN CC(C)Cc1c(N)ccn1C 76589432 572360270 /nfs/dbraw/zinc/36/02/70/572360270.db2.gz SEAQDINNNXDOKB-UHFFFAOYSA-N 0 0 152.241 1.806 10 0 ADAERN CC(C)(C)C[C@@H](NN)C(F)(F)F 713242270 572360291 /nfs/dbraw/zinc/36/02/91/572360291.db2.gz XLKVIBXSVNEVDX-RXMQYKEDSA-N 0 0 184.205 1.817 10 0 ADAERN O=C1CC[C@@H]2CCOC[C@H]2C1 76590083 572360321 /nfs/dbraw/zinc/36/03/21/572360321.db2.gz PCEVYRAQAZIWSV-HTQZYQBOSA-N 0 0 154.209 1.392 10 0 ADAERN C=C/C=C\CCNc1cnn(C)c1 713694895 572360340 /nfs/dbraw/zinc/36/03/40/572360340.db2.gz OCRVRPAJVQQWEP-PLNGDYQASA-N 0 0 177.251 1.964 10 0 ADAERN CC[C@H](NN)C(C1CC1)C1CC1 307998539 572360346 /nfs/dbraw/zinc/36/03/46/572360346.db2.gz DXXSXJRMJHAVEX-VIFPVBQESA-N 0 0 168.284 1.665 10 0 ADAERN C[C@H]1CSC2=C(S1)C(=N)NC2=N 141003033 572360395 /nfs/dbraw/zinc/36/03/95/572360395.db2.gz QBFLDKKKORWJFU-VKHMYHEASA-N 0 0 199.304 1.415 10 0 ADAERN O=C1C=C[C@@H](C2CCCC2)O1 76589313 572360432 /nfs/dbraw/zinc/36/04/32/572360432.db2.gz UTEKUMVDIAFFFJ-QMMMGPOBSA-N 0 0 152.193 1.658 10 0 ADAERN Cc1ccc(CCON)cc1 76589216 572360444 /nfs/dbraw/zinc/36/04/44/572360444.db2.gz CSELVRNYGIWLFZ-UHFFFAOYSA-N 0 0 151.209 1.428 10 0 ADAERN CC[C@@H](O)CC[C@H]1CCCO1 39366100 572360512 /nfs/dbraw/zinc/36/05/12/572360512.db2.gz JYAGAHANMSZLOE-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CC(C)=C[C@@H](O)[C@H](C)CCO 140985494 572360576 /nfs/dbraw/zinc/36/05/76/572360576.db2.gz GWDWEDCUCJEAJX-RKDXNWHRSA-N 0 0 158.241 1.332 10 0 ADAERN CO[C@@H](C)CCNc1ncns1 307997497 572360607 /nfs/dbraw/zinc/36/06/07/572360607.db2.gz XHUKMNRBYJZQBX-LURJTMIESA-N 0 0 187.268 1.375 10 0 ADAERN CCOC(=O)COc1cncc(F)c1 307996736 572360633 /nfs/dbraw/zinc/36/06/33/572360633.db2.gz YOAKDGKCCLAZEX-UHFFFAOYSA-N 0 0 199.181 1.163 10 0 ADAERN CO[C@H](C)CCNc1ncns1 307997498 572360648 /nfs/dbraw/zinc/36/06/48/572360648.db2.gz XHUKMNRBYJZQBX-ZCFIWIBFSA-N 0 0 187.268 1.375 10 0 ADAERN CC(C)=C[C@H](O)[C@@H](C)CCO 140985674 572360690 /nfs/dbraw/zinc/36/06/90/572360690.db2.gz GWDWEDCUCJEAJX-IUCAKERBSA-N 0 0 158.241 1.332 10 0 ADAERN CCC(=CC[C@H](C[NH3+])C(=O)[O-])CC 238220607 572360768 /nfs/dbraw/zinc/36/07/68/572360768.db2.gz BZFBCJQSBQZUFQ-SECBINFHSA-N 0 0 185.267 1.782 10 0 ADAERN COC(=O)[C@@H](C)NCC=C(C)C 234533798 572360775 /nfs/dbraw/zinc/36/07/75/572360775.db2.gz UXSZFFPKABFYOL-MRVPVSSYSA-N 0 0 171.240 1.104 10 0 ADAERN CCOCCC(C)(C)C(N)=S 83638335 572361359 /nfs/dbraw/zinc/36/13/59/572361359.db2.gz GMBKUKWGSDCHAM-UHFFFAOYSA-N 0 0 175.297 1.725 10 0 ADAERN c1coc(CNCc2cnns2)c1 83592560 572360864 /nfs/dbraw/zinc/36/08/64/572360864.db2.gz USLGJWNEEPMPGR-UHFFFAOYSA-N 0 0 195.247 1.421 10 0 ADAERN C/C=C\COC(=O)[C@@H](CC)CO 307998352 572361449 /nfs/dbraw/zinc/36/14/49/572361449.db2.gz XROLBQQXAYSOIK-NHLYECAPSA-N 0 0 172.224 1.124 10 0 ADAERN CC/C=C(/CCC)C(=O)NC(N)=O 307997911 572360949 /nfs/dbraw/zinc/36/09/49/572360949.db2.gz PMSGTNOLNCYNRS-ALCCZGGFSA-N 0 0 184.239 1.318 10 0 ADAERN CC[C@H](C)[C@@H]1CCNCC1=O 76590892 572361009 /nfs/dbraw/zinc/36/10/09/572361009.db2.gz BAKCVZWJPIZTJC-YUMQZZPRSA-N 0 0 155.241 1.211 10 0 ADAERN CCCC[C@H]([NH2+]CCF)C(=O)[O-] 307998126 572361075 /nfs/dbraw/zinc/36/10/75/572361075.db2.gz DXIRYZBAUCFLQZ-ZETCQYMHSA-N 0 0 177.219 1.189 10 0 ADAERN C[C@@H]1SC[C@H]2CC(=O)C[C@H]21 76591902 572361080 /nfs/dbraw/zinc/36/10/80/572361080.db2.gz KHYYZMFYOPPENA-BBVRLYRLSA-N 0 0 156.250 1.717 10 0 ADAERN CC/C=C/C(=O)O[C@H](C)COC 307997322 572361199 /nfs/dbraw/zinc/36/11/99/572361199.db2.gz XCBCCSFCISSGRF-HQZHTGGTSA-N 0 0 172.224 1.531 10 0 ADAERN O[C@@H]1COCc2sccc21 76591594 572361211 /nfs/dbraw/zinc/36/12/11/572361211.db2.gz QZPNOIJINVWDIZ-ZCFIWIBFSA-N 0 0 156.206 1.312 10 0 ADAERN CC[C@@H](NN)C(C1CC1)C1CC1 307998538 572361234 /nfs/dbraw/zinc/36/12/34/572361234.db2.gz DXXSXJRMJHAVEX-SECBINFHSA-N 0 0 168.284 1.665 10 0 ADAERN C[C@@H]1SC[C@H]2CC(=O)C[C@@H]21 76591907 572361416 /nfs/dbraw/zinc/36/14/16/572361416.db2.gz KHYYZMFYOPPENA-SHYZEUOFSA-N 0 0 156.250 1.717 10 0 ADAERN CC[C@H](C)[C@H]1CCNCC1=O 76590899 572361488 /nfs/dbraw/zinc/36/14/88/572361488.db2.gz BAKCVZWJPIZTJC-JGVFFNPUSA-N 0 0 155.241 1.211 10 0 ADAERN CCCC[C@H](C(=O)OC)[C@@H](C)O 87109576 572361525 /nfs/dbraw/zinc/36/15/25/572361525.db2.gz JCEBXCVBWLCGIB-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN FC(F)(F)CNCc1cnns1 83592569 572361536 /nfs/dbraw/zinc/36/15/36/572361536.db2.gz UMJFEBAHXONEBT-UHFFFAOYSA-N 0 0 197.185 1.190 10 0 ADAERN CC(C)(C)C[C@H](NN)C(F)(F)F 713242282 572361541 /nfs/dbraw/zinc/36/15/41/572361541.db2.gz XLKVIBXSVNEVDX-YFKPBYRVSA-N 0 0 184.205 1.817 10 0 ADAERN CCCC[C@H](C(=O)OC)[C@H](C)O 87109578 572361583 /nfs/dbraw/zinc/36/15/83/572361583.db2.gz JCEBXCVBWLCGIB-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN C/C=C/COC(=O)[C@H](CC)CO 307998354 572361612 /nfs/dbraw/zinc/36/16/12/572361612.db2.gz XROLBQQXAYSOIK-RYEJSQLPSA-N 0 0 172.224 1.124 10 0 ADAERN CCCC[C@H](C(=O)OC)C(=O)C1CC1 87109014 572361627 /nfs/dbraw/zinc/36/16/27/572361627.db2.gz BYARTCPUUHKXON-VIFPVBQESA-N 0 0 198.262 1.945 10 0 ADAERN CC[C@@H](C)[C@H]1CCNCC1=O 76590896 572361630 /nfs/dbraw/zinc/36/16/30/572361630.db2.gz BAKCVZWJPIZTJC-HTQZYQBOSA-N 0 0 155.241 1.211 10 0 ADAERN CC/C=C\C(=O)O[C@H](C)COC 307997324 572361685 /nfs/dbraw/zinc/36/16/85/572361685.db2.gz XCBCCSFCISSGRF-RPSMYOMKSA-N 0 0 172.224 1.531 10 0 ADAERN c1ncc(NC2CSC2)o1 76591607 572361686 /nfs/dbraw/zinc/36/16/86/572361686.db2.gz BQWNAZLEIMYAFU-UHFFFAOYSA-N 0 0 156.210 1.202 10 0 ADAERN O[C@@H]1CC[C@H]2CCOC[C@H]2C1 76591731 572361724 /nfs/dbraw/zinc/36/17/24/572361724.db2.gz TVVKDILXWABONV-DJLDLDEBSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H](C)C1(C)CC1 87100983 572361741 /nfs/dbraw/zinc/36/17/41/572361741.db2.gz YURBCFNCUZPTFQ-YUMQZZPRSA-N 0 0 185.267 1.580 10 0 ADAERN O[C@@H]1CC[C@@H]2COCC[C@@H]2C1 76591685 572361771 /nfs/dbraw/zinc/36/17/71/572361771.db2.gz UUEJVLZPIKOXDU-IWSPIJDZSA-N 0 0 156.225 1.184 10 0 ADAERN CCNC(=O)COCCC(C)C 307999942 572363646 /nfs/dbraw/zinc/36/36/46/572363646.db2.gz YUJJEIGESGMVAQ-UHFFFAOYSA-N 0 0 173.256 1.185 10 0 ADAERN CC[C@@H](O)CC[C@@H]1CCCO1 39366098 572361820 /nfs/dbraw/zinc/36/18/20/572361820.db2.gz JYAGAHANMSZLOE-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CC(C)C[C@H]1CCOCC1=O 76591791 572361821 /nfs/dbraw/zinc/36/18/21/572361821.db2.gz OSSFFGXGSVVNPR-MRVPVSSYSA-N 0 0 156.225 1.638 10 0 ADAERN CN(C)C(=O)/C=C\c1cc[nH]c1 307997970 572361827 /nfs/dbraw/zinc/36/18/27/572361827.db2.gz XKTRWRULQPGQHJ-ARJAWSKDSA-N 0 0 164.208 1.116 10 0 ADAERN COc1cc(SC)ccc1CO 140999421 572363789 /nfs/dbraw/zinc/36/37/89/572363789.db2.gz GBNXJHCMOFAGNF-UHFFFAOYSA-N 0 0 184.260 1.909 10 0 ADAERN CCCC[C@@H](C(=O)OC)[C@H](C)O 87109579 572361854 /nfs/dbraw/zinc/36/18/54/572361854.db2.gz JCEBXCVBWLCGIB-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN C=C/C(C)=C/CC(=O)N(C)OC 307997469 572361920 /nfs/dbraw/zinc/36/19/20/572361920.db2.gz XGQQZZMBBGDIME-SOFGYWHQSA-N 0 0 169.224 1.529 10 0 ADAERN c1coc(NC2CSC2)n1 76591616 572361929 /nfs/dbraw/zinc/36/19/29/572361929.db2.gz QWOKLXGSPDYTBQ-UHFFFAOYSA-N 0 0 156.210 1.202 10 0 ADAERN CCn1cnc(C(=O)CSC)c1 307997154 572361954 /nfs/dbraw/zinc/36/19/54/572361954.db2.gz CPXUCKKASRKZRA-UHFFFAOYSA-N 0 0 184.264 1.449 10 0 ADAERN CCCCN1C(=O)CCCC1=O 39410204 572361965 /nfs/dbraw/zinc/36/19/65/572361965.db2.gz SIWGQTHOLRHYBR-UHFFFAOYSA-N 0 0 169.224 1.326 10 0 ADAERN O=C1C[C@@H]2CCCS[C@H]2C1 76591913 572362054 /nfs/dbraw/zinc/36/20/54/572362054.db2.gz YGSOTBUSHKVLOJ-XPUUQOCRSA-N 0 0 156.250 1.861 10 0 ADAERN CCc1cc2c(cc1CCO)OCO2 140999925 572362464 /nfs/dbraw/zinc/36/24/64/572362464.db2.gz XIUIXHNDCDFXBK-UHFFFAOYSA-N 0 0 194.230 1.513 10 0 ADAERN CC(C)C[C@@H]1CCOCC1=O 76591789 572362111 /nfs/dbraw/zinc/36/21/11/572362111.db2.gz OSSFFGXGSVVNPR-QMMMGPOBSA-N 0 0 156.225 1.638 10 0 ADAERN OCCCC[C@@H](O)c1ccco1 238663013 572362123 /nfs/dbraw/zinc/36/21/23/572362123.db2.gz KALRWVVJZSNZAG-MRVPVSSYSA-N 0 0 170.208 1.476 10 0 ADAERN CC[C@@H](C)[C@H]1CN(C)CC1=O 76590908 572362124 /nfs/dbraw/zinc/36/21/24/572362124.db2.gz UEZUQXBGSHLPTC-HTQZYQBOSA-N 0 0 155.241 1.163 10 0 ADAERN CSc1nc2nccnc2[nH]1 140999371 572362139 /nfs/dbraw/zinc/36/21/39/572362139.db2.gz XHSLZGREQUJKQH-UHFFFAOYSA-N 0 0 166.209 1.075 10 0 ADAERN C=C/C(C)=C\CC(=O)N(C)OC 307997470 572362163 /nfs/dbraw/zinc/36/21/63/572362163.db2.gz XGQQZZMBBGDIME-VURMDHGXSA-N 0 0 169.224 1.529 10 0 ADAERN COC[C@H](O)CSc1ccncc1 87110366 572362175 /nfs/dbraw/zinc/36/21/75/572362175.db2.gz RHRQVXQQJZDVOQ-QMMMGPOBSA-N 0 0 199.275 1.181 10 0 ADAERN O[C@@H]1CC[C@@H]2COCC[C@H]2C1 76591694 572362189 /nfs/dbraw/zinc/36/21/89/572362189.db2.gz UUEJVLZPIKOXDU-DJLDLDEBSA-N 0 0 156.225 1.184 10 0 ADAERN CN(C)C(=O)Nc1c(N)cccc1O 141013298 572362208 /nfs/dbraw/zinc/36/22/08/572362208.db2.gz NVMAABNTVDKYLA-UHFFFAOYSA-N 0 0 195.222 1.068 10 0 ADAERN OCCCC[C@@H](CO)c1ccccc1 238662314 572362228 /nfs/dbraw/zinc/36/22/28/572362228.db2.gz CJEOFKGBICTETP-LBPRGKRZSA-N 0 0 194.274 1.925 10 0 ADAERN COC(=O)/C=C/Sc1ccncc1 87110054 572362233 /nfs/dbraw/zinc/36/22/33/572362233.db2.gz UEWIGRUZJQBCDY-QPJJXVBHSA-N 0 0 195.243 1.860 10 0 ADAERN COC[C@@H](O)CSc1ccncc1 87110367 572362248 /nfs/dbraw/zinc/36/22/48/572362248.db2.gz RHRQVXQQJZDVOQ-MRVPVSSYSA-N 0 0 199.275 1.181 10 0 ADAERN CC[C@@H]1CCCN(C)CC1=O 76590924 572362344 /nfs/dbraw/zinc/36/23/44/572362344.db2.gz HPSRCSCFJOZNIX-MRVPVSSYSA-N 0 0 155.241 1.307 10 0 ADAERN CC[C@H]1CCCN(C)CC1=O 76590928 572362364 /nfs/dbraw/zinc/36/23/64/572362364.db2.gz HPSRCSCFJOZNIX-QMMMGPOBSA-N 0 0 155.241 1.307 10 0 ADAERN C[C@H]([N@@H+](C)[C@H](C)C(=O)[O-])C1(C)CC1 87100984 572362375 /nfs/dbraw/zinc/36/23/75/572362375.db2.gz YURBCFNCUZPTFQ-SFYZADRCSA-N 0 0 185.267 1.580 10 0 ADAERN O=C1CC[C@H]2SCC[C@H]2C1 76591875 572362389 /nfs/dbraw/zinc/36/23/89/572362389.db2.gz KGXVOFLXFLLVCK-POYBYMJQSA-N 0 0 156.250 1.861 10 0 ADAERN Cc1cc(C(N)=O)ncc1Cl 141030273 572362410 /nfs/dbraw/zinc/36/24/10/572362410.db2.gz CLLLOAOKMLLDQT-UHFFFAOYSA-N 0 0 170.599 1.142 10 0 ADAERN O[C@@H]1CC[C@H]2COCC[C@@H]2C1 76591689 572362420 /nfs/dbraw/zinc/36/24/20/572362420.db2.gz UUEJVLZPIKOXDU-HRDYMLBCSA-N 0 0 156.225 1.184 10 0 ADAERN O=C1CC[C@@H]2SCC[C@@H]2C1 76591878 572362469 /nfs/dbraw/zinc/36/24/69/572362469.db2.gz KGXVOFLXFLLVCK-SVRRBLITSA-N 0 0 156.250 1.861 10 0 ADAERN CC/C=C/C(=O)O[C@@H](C)COC 307997320 572362501 /nfs/dbraw/zinc/36/25/01/572362501.db2.gz XCBCCSFCISSGRF-GJIOHYHPSA-N 0 0 172.224 1.531 10 0 ADAERN O=C1C[C@H]2CCSC[C@@H]2C1 76591929 572362502 /nfs/dbraw/zinc/36/25/02/572362502.db2.gz BKTFLFZTWZLJSE-RQJHMYQMSA-N 0 0 156.250 1.719 10 0 ADAERN COc1ccc2[nH]c(CO)cc2c1C 140999377 572364031 /nfs/dbraw/zinc/36/40/31/572364031.db2.gz BNBBYVNXJIBSAK-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN C/C(=C\CC1(C)OCCO1)CO 141006340 572362633 /nfs/dbraw/zinc/36/26/33/572362633.db2.gz SMEAQCSJECOMQV-FPYGCLRLSA-N 0 0 172.224 1.078 10 0 ADAERN CC(C)C[C@H]1CN(C)CC1=O 76590923 572362651 /nfs/dbraw/zinc/36/26/51/572362651.db2.gz GKUJUTJJGJUISQ-QMMMGPOBSA-N 0 0 155.241 1.163 10 0 ADAERN c1cc(NC2CSC2)no1 76591614 572362716 /nfs/dbraw/zinc/36/27/16/572362716.db2.gz ZFYMPZMJEOZBFC-UHFFFAOYSA-N 0 0 156.210 1.202 10 0 ADAERN CSc1cnc(N)nc1C 76590682 572362829 /nfs/dbraw/zinc/36/28/29/572362829.db2.gz GZTJMDBSAAMKHB-UHFFFAOYSA-N 0 0 155.226 1.089 10 0 ADAERN CC(C)C[C@@H]1CN(C)CC1=O 76590917 572362836 /nfs/dbraw/zinc/36/28/36/572362836.db2.gz GKUJUTJJGJUISQ-MRVPVSSYSA-N 0 0 155.241 1.163 10 0 ADAERN COC(=O)C[C@H](C)[C@H](C)F 210410674 572362847 /nfs/dbraw/zinc/36/28/47/572362847.db2.gz UUUXBEXFTXRSGU-WDSKDSINSA-N 0 0 148.177 1.544 10 0 ADAERN CC[C@H](C)[C@H]1CN(C)CC1=O 76590912 572362897 /nfs/dbraw/zinc/36/28/97/572362897.db2.gz UEZUQXBGSHLPTC-JGVFFNPUSA-N 0 0 155.241 1.163 10 0 ADAERN CC[C@@H]1[NH2+][C@@H](C(=O)[O-])C(C)(C)S1 141005544 572362968 /nfs/dbraw/zinc/36/29/68/572362968.db2.gz LASVVOUGFBNMDI-RITPCOANSA-N 0 0 189.280 1.291 10 0 ADAERN O[C@H]1COCc2sccc21 76591599 572362970 /nfs/dbraw/zinc/36/29/70/572362970.db2.gz QZPNOIJINVWDIZ-LURJTMIESA-N 0 0 156.206 1.312 10 0 ADAERN CC[C@@H](C)[C@H]1CCOCC1=O 76591766 572363031 /nfs/dbraw/zinc/36/30/31/572363031.db2.gz LEICYEJLLDMBHO-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN O=C1C[C@@H]2CCCS[C@@H]2C1 76591918 572363035 /nfs/dbraw/zinc/36/30/35/572363035.db2.gz YGSOTBUSHKVLOJ-POYBYMJQSA-N 0 0 156.250 1.861 10 0 ADAERN CSCc1cnc(Cl)nc1 141018530 572363042 /nfs/dbraw/zinc/36/30/42/572363042.db2.gz VVXXREZPSINGBU-UHFFFAOYSA-N 0 0 174.656 1.993 10 0 ADAERN CCCC[C@H](C(=O)CC)C(=O)OC 87109011 572363143 /nfs/dbraw/zinc/36/31/43/572363143.db2.gz UFSUBGVUJBKJFM-MRVPVSSYSA-N 0 0 186.251 1.945 10 0 ADAERN CC(C)[C@H]1CCN(C)CC1=O 76590933 572363150 /nfs/dbraw/zinc/36/31/50/572363150.db2.gz UKKJIFSNGWLCHO-MRVPVSSYSA-N 0 0 155.241 1.163 10 0 ADAERN O[C@@H]1CC[C@H]2CCOC[C@@H]2C1 76591723 572363173 /nfs/dbraw/zinc/36/31/73/572363173.db2.gz TVVKDILXWABONV-XHNCKOQMSA-N 0 0 156.225 1.184 10 0 ADAERN CCCCC[C@H]1CCO[C@H]1CO 307998612 572363545 /nfs/dbraw/zinc/36/35/45/572363545.db2.gz FFMBFNJHOMPALJ-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCC[C@H](C(=O)OC)[C@@H](O)CC 87109736 572363227 /nfs/dbraw/zinc/36/32/27/572363227.db2.gz LWZVAVSUMJGZSO-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN O=C1Nc2ccccc2[C@@H](CO)O1 141025367 572363269 /nfs/dbraw/zinc/36/32/69/572363269.db2.gz LNWKTMTWNGNUAZ-MRVPVSSYSA-N 0 0 179.175 1.282 10 0 ADAERN COc1c(O)cc(C=O)c(O)c1C 141029761 572363312 /nfs/dbraw/zinc/36/33/12/572363312.db2.gz GCIYWFXJROPOFT-UHFFFAOYSA-N 0 0 182.175 1.227 10 0 ADAERN CC(C)(CO)Oc1ccc(C=O)cc1 687825012 572363411 /nfs/dbraw/zinc/36/34/11/572363411.db2.gz GWCZFQRVVGRBMF-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN O[C@@H]1CC[C@H]2COCC[C@H]2C1 76591698 572363412 /nfs/dbraw/zinc/36/34/12/572363412.db2.gz UUEJVLZPIKOXDU-XHNCKOQMSA-N 0 0 156.225 1.184 10 0 ADAERN O[C@@H]1CC[C@@H]2OCCC[C@@H]2C1 76591702 572363417 /nfs/dbraw/zinc/36/34/17/572363417.db2.gz NYDKHHGHWKJZIE-HLTSFMKQSA-N 0 0 156.225 1.326 10 0 ADAERN CONCCCC1CCOCC1 307999244 572363431 /nfs/dbraw/zinc/36/34/31/572363431.db2.gz YIEAHOQJGRYHDM-UHFFFAOYSA-N 0 0 173.256 1.344 10 0 ADAERN CC(=O)c1cc(Cl)cn1C 76592912 572363457 /nfs/dbraw/zinc/36/34/57/572363457.db2.gz AUGDLWRDCNIDFV-UHFFFAOYSA-N 0 0 157.600 1.881 10 0 ADAERN O=C1CC[C@H]2SCC[C@@H]2C1 76591870 572363477 /nfs/dbraw/zinc/36/34/77/572363477.db2.gz KGXVOFLXFLLVCK-HTRCEHHLSA-N 0 0 156.250 1.861 10 0 ADAERN CC[C@H]1[NH2+][C@H](C(=O)[O-])C(C)(C)S1 141006069 572363508 /nfs/dbraw/zinc/36/35/08/572363508.db2.gz LASVVOUGFBNMDI-NTSWFWBYSA-N 0 0 189.280 1.291 10 0 ADAERN CC[C@@H](C)[C@@H]1CCNCC1=O 76590888 572363583 /nfs/dbraw/zinc/36/35/83/572363583.db2.gz BAKCVZWJPIZTJC-SFYZADRCSA-N 0 0 155.241 1.211 10 0 ADAERN CC[C@H]1[NH2+][C@@H](C(=O)[O-])C(C)(C)S1 141005723 572363720 /nfs/dbraw/zinc/36/37/20/572363720.db2.gz LASVVOUGFBNMDI-WDSKDSINSA-N 0 0 189.280 1.291 10 0 ADAERN CC[C@H](C)[C@@H]1CN(C)CC1=O 76590906 572363749 /nfs/dbraw/zinc/36/37/49/572363749.db2.gz UEZUQXBGSHLPTC-YUMQZZPRSA-N 0 0 155.241 1.163 10 0 ADAERN CC[C@H](C)[C@@H]1CCOCC1=O 76591762 572363769 /nfs/dbraw/zinc/36/37/69/572363769.db2.gz LEICYEJLLDMBHO-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@@H](C)[C@@H]1CN(C)CC1=O 76590902 572363809 /nfs/dbraw/zinc/36/38/09/572363809.db2.gz UEZUQXBGSHLPTC-SFYZADRCSA-N 0 0 155.241 1.163 10 0 ADAERN O=C1C[C@H]2CCSC[C@H]2C1 76591925 572363821 /nfs/dbraw/zinc/36/38/21/572363821.db2.gz BKTFLFZTWZLJSE-RNFRBKRXSA-N 0 0 156.250 1.719 10 0 ADAERN O=C1CC[C@@H]2SCC[C@H]2C1 76591883 572363871 /nfs/dbraw/zinc/36/38/71/572363871.db2.gz KGXVOFLXFLLVCK-XPUUQOCRSA-N 0 0 156.250 1.861 10 0 ADAERN CCCC[C@@H](C(=O)OC)[C@@H](C)O 87109577 572363892 /nfs/dbraw/zinc/36/38/92/572363892.db2.gz JCEBXCVBWLCGIB-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN O[C@@H]1CC[C@@H]2OCCC[C@H]2C1 76591706 572363910 /nfs/dbraw/zinc/36/39/10/572363910.db2.gz NYDKHHGHWKJZIE-YIZRAAEISA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@@H](SC)C(=O)OC1COC1 307999642 572363936 /nfs/dbraw/zinc/36/39/36/572363936.db2.gz YOEMAXCQDUKVMN-SSDOTTSWSA-N 0 0 190.264 1.070 10 0 ADAERN O=C1C[C@@H]2CCSC[C@@H]2C1 76591923 572363958 /nfs/dbraw/zinc/36/39/58/572363958.db2.gz BKTFLFZTWZLJSE-BQBZGAKWSA-N 0 0 156.250 1.719 10 0 ADAERN CCCC[C@@H](C(=O)OC)[C@@H](O)CC 87109737 572363963 /nfs/dbraw/zinc/36/39/63/572363963.db2.gz LWZVAVSUMJGZSO-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN CCCCN[C@@H]1C[C@H](C)OC1=O 307999693 572363992 /nfs/dbraw/zinc/36/39/92/572363992.db2.gz YOUKFRQXODYOEG-JGVFFNPUSA-N 0 0 171.240 1.080 10 0 ADAERN CC(C)[C@@H]1CCN(C)CC1=O 76590930 572364002 /nfs/dbraw/zinc/36/40/02/572364002.db2.gz UKKJIFSNGWLCHO-QMMMGPOBSA-N 0 0 155.241 1.163 10 0 ADAERN CC[C@@H](C)[C@@H]1CCOCC1=O 76591761 572364011 /nfs/dbraw/zinc/36/40/11/572364011.db2.gz LEICYEJLLDMBHO-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN N=C1NC(=N)c2c(Cl)cccc21 141000531 572364021 /nfs/dbraw/zinc/36/40/21/572364021.db2.gz XISYUJXZBWBYPS-UHFFFAOYSA-N 0 0 179.610 1.384 10 0 ADAERN COCCc1cc(OC)ccn1 307998857 572364083 /nfs/dbraw/zinc/36/40/83/572364083.db2.gz YAVHTBZMTJSCMB-UHFFFAOYSA-N 0 0 167.208 1.279 10 0 ADAERN CCCC[C@H](C(=O)OC)[C@H](O)CC 87109734 572364109 /nfs/dbraw/zinc/36/41/09/572364109.db2.gz LWZVAVSUMJGZSO-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN C[C@H]1C[C@H]1NCC(F)(F)C(F)F 307999570 572364134 /nfs/dbraw/zinc/36/41/34/572364134.db2.gz GAXZJKFMOBBHBB-CRCLSJGQSA-N 0 0 185.164 1.885 10 0 ADAERN COCCCONC1CCCC1 307999228 572364176 /nfs/dbraw/zinc/36/41/76/572364176.db2.gz YGRXRJQTTJUKQJ-UHFFFAOYSA-N 0 0 173.256 1.487 10 0 ADAERN CCCC[C@@H](C(=O)OC)[C@H](O)CC 87109735 572364181 /nfs/dbraw/zinc/36/41/81/572364181.db2.gz LWZVAVSUMJGZSO-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN CCN(CC)C(=O)O[C@@H](C)OC 196906819 572364189 /nfs/dbraw/zinc/36/41/89/572364189.db2.gz JWUKSKLMLHZYLW-ZETCQYMHSA-N 0 0 175.228 1.457 10 0 ADAERN CC[C@H](COC)Nc1ncns1 83669238 572364200 /nfs/dbraw/zinc/36/42/00/572364200.db2.gz WOLYYTAKOPQUEE-ZCFIWIBFSA-N 0 0 187.268 1.375 10 0 ADAERN COCCSCC(=O)OC1CC1 308000189 572364225 /nfs/dbraw/zinc/36/42/25/572364225.db2.gz YWKBZUXHVWTWMU-UHFFFAOYSA-N 0 0 190.264 1.072 10 0 ADAERN CSc1ccc2c(c1)C(=N)NC2=N 141006376 572364272 /nfs/dbraw/zinc/36/42/72/572364272.db2.gz IJFDMPRLQPWMDQ-UHFFFAOYSA-N 0 0 191.259 1.453 10 0 ADAERN Cc1cc([C@H]([NH3+])CC(=O)[O-])sc1C 44216216 572364279 /nfs/dbraw/zinc/36/42/79/572364279.db2.gz KSJWCUKVHNVKKK-SSDOTTSWSA-N 0 0 199.275 1.839 10 0 ADAERN CCCC[C@@H](C(=O)OC)C(=O)C1CC1 87109015 572364298 /nfs/dbraw/zinc/36/42/98/572364298.db2.gz BYARTCPUUHKXON-SECBINFHSA-N 0 0 198.262 1.945 10 0 ADAERN CC(=O)Oc1cc(C=O)ccc1F 140999145 572364301 /nfs/dbraw/zinc/36/43/01/572364301.db2.gz FREXTHWWUKWAFJ-UHFFFAOYSA-N 0 0 182.150 1.564 10 0 ADAERN CCNC(=O)Nc1c(N)cccc1O 141013709 572364324 /nfs/dbraw/zinc/36/43/24/572364324.db2.gz AQBJJINAISHZFX-UHFFFAOYSA-N 0 0 195.222 1.116 10 0 ADAERN CCCC[C@@H](C(=O)CC)C(=O)OC 87109010 572364350 /nfs/dbraw/zinc/36/43/50/572364350.db2.gz UFSUBGVUJBKJFM-QMMMGPOBSA-N 0 0 186.251 1.945 10 0 ADAERN CCCCC[C@H]1CCO[C@@H]1CO 307998613 572364355 /nfs/dbraw/zinc/36/43/55/572364355.db2.gz FFMBFNJHOMPALJ-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN c1ccn2nc(Nn3cccc3)nc2c1 87101317 572364371 /nfs/dbraw/zinc/36/43/71/572364371.db2.gz HIIAMVBSFLZIDF-UHFFFAOYSA-N 0 0 199.217 1.406 10 0 ADAERN O=C(CC[C@@H]1CCCO1)[C@@H]1CCCO1 83710950 572364376 /nfs/dbraw/zinc/36/43/76/572364376.db2.gz AMVKUENFJQNINT-ONGXEEELSA-N 0 0 198.262 1.694 10 0 ADAERN CC[C@@H](O)[C@H](C)n1ccnc1C 44180965 572364405 /nfs/dbraw/zinc/36/44/05/572364405.db2.gz VQPLYJQYLHYVGP-IONNQARKSA-N 0 0 168.240 1.523 10 0 ADAERN Cc1cc(O)c(CO)cc1Cl 44198905 572364424 /nfs/dbraw/zinc/36/44/24/572364424.db2.gz HFHMPLZRVRCHNI-UHFFFAOYSA-N 0 0 172.611 1.846 10 0 ADAERN Cc1nc(NC#N)nc2ccccc12 141035204 572364437 /nfs/dbraw/zinc/36/44/37/572364437.db2.gz DMFHGRVOSFEZKC-UHFFFAOYSA-N 0 0 184.202 1.831 10 0 ADAERN Cc1n[nH]c2c1c(C=O)cn2C 76594488 572364463 /nfs/dbraw/zinc/36/44/63/572364463.db2.gz KVMXXOHGVGYGER-UHFFFAOYSA-N 0 0 163.180 1.022 10 0 ADAERN CC1=C(c2ccncc2)CCC(=O)N1 39438661 572364469 /nfs/dbraw/zinc/36/44/69/572364469.db2.gz VCUHSTJXMRYVJC-UHFFFAOYSA-N 0 0 188.230 1.723 10 0 ADAERN OCc1ccc(-c2csnn2)cc1 44198712 572364512 /nfs/dbraw/zinc/36/45/12/572364512.db2.gz ZJMAATRJTUHFHW-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1ccnc1 44180575 572364524 /nfs/dbraw/zinc/36/45/24/572364524.db2.gz MFVATMYQJJKSFP-HTQZYQBOSA-N 0 0 154.213 1.215 10 0 ADAERN CCc1n[nH]c2c1c(N)cn2C 76594870 572364550 /nfs/dbraw/zinc/36/45/50/572364550.db2.gz YTLOQZXJLGZRIV-UHFFFAOYSA-N 0 0 164.212 1.046 10 0 ADAERN C[C@@H]1CC[C@H]1N1N[C@@H](CC2CC2)C1=O 713870976 572364557 /nfs/dbraw/zinc/36/45/57/572364557.db2.gz ZLNZKAGUDKTCRB-FKTZTGRPSA-N 0 0 194.278 1.300 10 0 ADAERN c1cc2n(c1)-c1cocc1NC2 76593669 572364563 /nfs/dbraw/zinc/36/45/63/572364563.db2.gz XAZAZMZRQUIVRT-UHFFFAOYSA-N 0 0 160.176 1.996 10 0 ADAERN COC(CSc1ccncc1)OC 87110493 572364564 /nfs/dbraw/zinc/36/45/64/572364564.db2.gz DXPAXHGYCXUSRC-UHFFFAOYSA-N 0 0 199.275 1.793 10 0 ADAERN O=Cc1cc2n(n1)CCCCC2 76594804 572364577 /nfs/dbraw/zinc/36/45/77/572364577.db2.gz CXNUMOVKVNGZJC-UHFFFAOYSA-N 0 0 164.208 1.422 10 0 ADAERN Cc1nc(C2CC2)ncc1C=O 76594215 572364588 /nfs/dbraw/zinc/36/45/88/572364588.db2.gz QODUGWKWVAOBEH-UHFFFAOYSA-N 0 0 162.192 1.475 10 0 ADAERN OCC1=COc2ccc(O)cc2C1 44199008 572364605 /nfs/dbraw/zinc/36/46/05/572364605.db2.gz VOLYKTIHDIRSIV-UHFFFAOYSA-N 0 0 178.187 1.203 10 0 ADAERN CCC[C@H](C)CN1C[C@H](O)CO1 307999845 572364612 /nfs/dbraw/zinc/36/46/12/572364612.db2.gz GFXGVGDKUZNUEK-IUCAKERBSA-N 0 0 173.256 1.031 10 0 ADAERN CC[C@H](O)[C@H](C)n1ccnc1 44180577 572364615 /nfs/dbraw/zinc/36/46/15/572364615.db2.gz MFVATMYQJJKSFP-YUMQZZPRSA-N 0 0 154.213 1.215 10 0 ADAERN CC(C)(C)[C@@H](O)CN1CCCC1=O 44181913 572364637 /nfs/dbraw/zinc/36/46/37/572364637.db2.gz DVCUIHNCUAERJJ-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN CC1=CCC[C@@H](C)[C@@H]1CO 44198577 572364663 /nfs/dbraw/zinc/36/46/63/572364663.db2.gz BYQLJLUYIZJGLE-RKDXNWHRSA-N 0 0 140.226 1.971 10 0 ADAERN CCOC[C@@H](C)Nc1ncns1 83654869 572364669 /nfs/dbraw/zinc/36/46/69/572364669.db2.gz ADYDIQQDLLULOP-ZCFIWIBFSA-N 0 0 187.268 1.375 10 0 ADAERN FCCNCc1cncc(F)c1 307999882 572364712 /nfs/dbraw/zinc/36/47/12/572364712.db2.gz GJSNDKLWXBYTHY-UHFFFAOYSA-N 0 0 172.178 1.280 10 0 ADAERN Cn1cc(N)c2ccc(F)cc21 76594724 572364727 /nfs/dbraw/zinc/36/47/27/572364727.db2.gz UCQYLCQBVOMDLG-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN COCC[C@H](C)Nc1ncns1 83669418 572364755 /nfs/dbraw/zinc/36/47/55/572364755.db2.gz ONZMDTVVRIBJAV-LURJTMIESA-N 0 0 187.268 1.375 10 0 ADAERN Cn1ccc(-c2ncoc2N)c1 76594493 572364795 /nfs/dbraw/zinc/36/47/95/572364795.db2.gz PJYUFDDRKRUONR-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN c1cc2c(o1)N1CCC[C@@H]1CN2 76594776 572364807 /nfs/dbraw/zinc/36/48/07/572364807.db2.gz ZCXWVVQHOOBLAF-SSDOTTSWSA-N 0 0 164.208 1.674 10 0 ADAERN Cn1ccc2c(N)cc(F)cc21 76594732 572364832 /nfs/dbraw/zinc/36/48/32/572364832.db2.gz MPQLWEYCZFWKIB-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN Cc1cnn([C@@H]2C[C@@H](C)CC[C@@H]2O)c1 44186662 572364833 /nfs/dbraw/zinc/36/48/33/572364833.db2.gz SJGSNOVMDMNHNW-GDPRMGEGSA-N 0 0 194.278 1.914 10 0 ADAERN Cn1cc(C=O)c(CC2CC2)c1 76594542 572364861 /nfs/dbraw/zinc/36/48/61/572364861.db2.gz KRIBFONZQWMMQE-UHFFFAOYSA-N 0 0 163.220 1.790 10 0 ADAERN CC1=CCC[C@H](C)[C@H]1CO 44198575 572364961 /nfs/dbraw/zinc/36/49/61/572364961.db2.gz BYQLJLUYIZJGLE-IUCAKERBSA-N 0 0 140.226 1.971 10 0 ADAERN Cc1noc2c1cc(C=O)n2C 76594687 572364939 /nfs/dbraw/zinc/36/49/39/572364939.db2.gz QFFVXJCSVTXKJD-UHFFFAOYSA-N 0 0 164.164 1.287 10 0 ADAERN O=C1CCC[C@H]1Cc1cn[nH]c1 76594763 572364958 /nfs/dbraw/zinc/36/49/58/572364958.db2.gz AMBOIQNVUDSXDB-QMMMGPOBSA-N 0 0 164.208 1.321 10 0 ADAERN CCO[C@@H](C)[C@@H](O)CC 44193178 572364966 /nfs/dbraw/zinc/36/49/66/572364966.db2.gz HOZSQNYECOPBST-BQBZGAKWSA-N 0 0 132.203 1.182 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@H](n2cncn2)C1 44183247 572366287 /nfs/dbraw/zinc/36/62/87/572366287.db2.gz PEYNCYNPGSKUHT-OPRDCNLKSA-N 0 0 195.266 1.390 10 0 ADAERN Cn1cc(N)cc1-c1cocn1 76594464 572365030 /nfs/dbraw/zinc/36/50/30/572365030.db2.gz GPEUQWAFJYBQLD-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1cc(N)c2cc(F)ccc21 76594726 572365033 /nfs/dbraw/zinc/36/50/33/572365033.db2.gz DCGWIJHXILEQMC-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H](n2cccn2)C1 44182902 572367189 /nfs/dbraw/zinc/36/71/89/572367189.db2.gz NKCNTPPHRYFZHU-BBBLOLIVSA-N 0 0 180.251 1.605 10 0 ADAERN CCCOCC(=O)c1ccc[nH]1 307998594 572365050 /nfs/dbraw/zinc/36/50/50/572365050.db2.gz FDVMFKZOTREBLM-UHFFFAOYSA-N 0 0 167.208 1.624 10 0 ADAERN Cc1nn(CC[C@@H](C)O)c(C)c1C 44187012 572365052 /nfs/dbraw/zinc/36/50/52/572365052.db2.gz FCAZJTOLKMNGSO-SSDOTTSWSA-N 0 0 182.267 1.579 10 0 ADAERN O[C@H]1CCCC[C@@H]1OCC(F)(F)F 44192178 572365074 /nfs/dbraw/zinc/36/50/74/572365074.db2.gz XCEQVLKFSOQVJS-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN Cc1ccc2onc(C=O)c2c1 76593853 572365097 /nfs/dbraw/zinc/36/50/97/572365097.db2.gz YYTIQACEEMNMHT-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CCCCC[C@@H]1CCO[C@H]1CO 307998614 572365121 /nfs/dbraw/zinc/36/51/21/572365121.db2.gz FFMBFNJHOMPALJ-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1noc2cccc(C=O)c12 76593856 572365124 /nfs/dbraw/zinc/36/51/24/572365124.db2.gz XSVXQUYZYASFQN-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CCN(C[C@@H](C)O)c1cccc(N)c1 83677054 572365134 /nfs/dbraw/zinc/36/51/34/572365134.db2.gz BGHINGYGEVKAOR-SECBINFHSA-N 0 0 194.278 1.476 10 0 ADAERN Cn1ccc(C=O)c1CC1CC1 76594550 572365151 /nfs/dbraw/zinc/36/51/51/572365151.db2.gz WKRVTCPBHCQODY-UHFFFAOYSA-N 0 0 163.220 1.790 10 0 ADAERN NOCc1ccc2[nH]ccc2c1 76594232 572365157 /nfs/dbraw/zinc/36/51/57/572365157.db2.gz LRGIPTAAJMECGE-UHFFFAOYSA-N 0 0 162.192 1.558 10 0 ADAERN CCCCN[C@@H]1C[C@@H](C)OC1=O 307999688 572365162 /nfs/dbraw/zinc/36/51/62/572365162.db2.gz YOUKFRQXODYOEG-HTQZYQBOSA-N 0 0 171.240 1.080 10 0 ADAERN Cn1ccc2cc(N)c(F)cc21 76594728 572365174 /nfs/dbraw/zinc/36/51/74/572365174.db2.gz AXVBMHRLDSHKNL-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN Cn1cc(N)c2ccc(O)cc21 76594242 572365179 /nfs/dbraw/zinc/36/51/79/572365179.db2.gz ZVGWFHLVZCGIDO-UHFFFAOYSA-N 0 0 162.192 1.466 10 0 ADAERN O[C@@H](c1ccccc1)c1ccnnc1 39422941 572365212 /nfs/dbraw/zinc/36/52/12/572365212.db2.gz VVELBHSXESOAMK-NSHDSACASA-N 0 0 186.214 1.558 10 0 ADAERN CCN(C[C@H](C)O)c1cccc(N)c1 83677056 572365228 /nfs/dbraw/zinc/36/52/28/572365228.db2.gz BGHINGYGEVKAOR-VIFPVBQESA-N 0 0 194.278 1.476 10 0 ADAERN COCOC(=O)c1c[nH]cc1C 307999928 572365270 /nfs/dbraw/zinc/36/52/70/572365270.db2.gz YTXIZCQQBCNOHX-UHFFFAOYSA-N 0 0 169.180 1.084 10 0 ADAERN Cc1ncnc2[nH]cc(C=O)c12 76593872 572364987 /nfs/dbraw/zinc/36/49/87/572364987.db2.gz ORWJLHQTMUMCPT-UHFFFAOYSA-N 0 0 161.164 1.079 10 0 ADAERN C[C@@H]1CC[C@@H]1N1N[C@H](CC2CC2)C1=O 713870979 572365293 /nfs/dbraw/zinc/36/52/93/572365293.db2.gz ZLNZKAGUDKTCRB-QNSHHTMESA-N 0 0 194.278 1.300 10 0 ADAERN Cc1nn(C)c2c(C=O)c[nH]c12 76594453 572365300 /nfs/dbraw/zinc/36/53/00/572365300.db2.gz YOHKQMQYNVODNL-UHFFFAOYSA-N 0 0 163.180 1.022 10 0 ADAERN C[C@H]1COc2c1cn(C)c2C=O 76595028 572369337 /nfs/dbraw/zinc/36/93/37/572369337.db2.gz UAYIQNYQOBBVOS-LURJTMIESA-N 0 0 165.192 1.334 10 0 ADAERN O[C@@H]1CCCC[C@H]1OCC(F)(F)F 44192175 572365310 /nfs/dbraw/zinc/36/53/10/572365310.db2.gz XCEQVLKFSOQVJS-RNFRBKRXSA-N 0 0 198.184 1.869 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@H](n2ccnc2)C1 44180569 572365315 /nfs/dbraw/zinc/36/53/15/572365315.db2.gz CEYWCMLNDCKENN-GMTAPVOTSA-N 0 0 194.278 1.995 10 0 ADAERN O[C@H]1CCCCC[C@H]1n1cccn1 44182914 572365326 /nfs/dbraw/zinc/36/53/26/572365326.db2.gz MFCJAWJGMVJTFK-ZJUUUORDSA-N 0 0 180.251 1.749 10 0 ADAERN Cn1ccc2c(N)ccc(F)c21 76594731 572365363 /nfs/dbraw/zinc/36/53/63/572365363.db2.gz UFEIBIQHZNUGML-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN Cc1ccc(C2OCCO2)o1 44227315 572374120 /nfs/dbraw/zinc/37/41/20/572374120.db2.gz FQFRKPYTERXKLO-UHFFFAOYSA-N 0 0 154.165 1.633 10 0 ADAERN O=C(CC[C@H]1CCCO1)[C@@H]1CCCO1 83710948 572365396 /nfs/dbraw/zinc/36/53/96/572365396.db2.gz AMVKUENFJQNINT-KOLCDFICSA-N 0 0 198.262 1.694 10 0 ADAERN C[C@@H]1C[C@H]1NCC(F)(F)C(F)F 307999574 572365412 /nfs/dbraw/zinc/36/54/12/572365412.db2.gz GAXZJKFMOBBHBB-RFZPGFLSSA-N 0 0 185.164 1.885 10 0 ADAERN CC(C)[C@H]1CCSCC1=O 76593211 572365437 /nfs/dbraw/zinc/36/54/37/572365437.db2.gz JIGMKOJMGALEKS-SSDOTTSWSA-N 0 0 158.266 1.965 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1ccnc1C 44180961 572365442 /nfs/dbraw/zinc/36/54/42/572365442.db2.gz VQPLYJQYLHYVGP-VXNVDRBHSA-N 0 0 168.240 1.523 10 0 ADAERN CC[C@H](O)[C@@H](C)n1ccnc1 44180573 572365460 /nfs/dbraw/zinc/36/54/60/572365460.db2.gz MFVATMYQJJKSFP-SFYZADRCSA-N 0 0 154.213 1.215 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H](n2ccnc2)C1 44180653 572365469 /nfs/dbraw/zinc/36/54/69/572365469.db2.gz COERBCFKWJWELA-BBBLOLIVSA-N 0 0 180.251 1.605 10 0 ADAERN C[C@@H]1CC[C@H]2[C@@H](N1)C(=O)OC2(C)C 141033724 572365476 /nfs/dbraw/zinc/36/54/76/572365476.db2.gz GKENKMJYVBBQSG-GJMOJQLCSA-N 0 0 183.251 1.079 10 0 ADAERN COc1cc(N(C)C)ccc1CO 44198434 572365499 /nfs/dbraw/zinc/36/54/99/572365499.db2.gz RSUHYLAALCVIPF-UHFFFAOYSA-N 0 0 181.235 1.254 10 0 ADAERN Cn1cc(N)cc1-c1cc[nH]c1 76593929 572365501 /nfs/dbraw/zinc/36/55/01/572365501.db2.gz LRKQSDPISGDHQE-UHFFFAOYSA-N 0 0 161.208 1.602 10 0 ADAERN Cc1noc2c(C=O)cn(C)c12 76594688 572365551 /nfs/dbraw/zinc/36/55/51/572365551.db2.gz NJMHXHDULXLFNA-UHFFFAOYSA-N 0 0 164.164 1.287 10 0 ADAERN CC/C=C(\C)[C@H]([NH3+])CC(=O)[O-] 44214920 572365577 /nfs/dbraw/zinc/36/55/77/572365577.db2.gz JTDRAOGAXBXINC-PTYLAXBQSA-N 0 0 157.213 1.145 10 0 ADAERN Cc1c(F)cc(CO)c(F)c1F 44198481 572365602 /nfs/dbraw/zinc/36/56/02/572365602.db2.gz DZBOWOHGGBKXSC-UHFFFAOYSA-N 0 0 176.137 1.905 10 0 ADAERN Cc1cc(F)cc(CO)c1O 44198967 572365616 /nfs/dbraw/zinc/36/56/16/572365616.db2.gz SBEXHLGJWKLCBD-UHFFFAOYSA-N 0 0 156.156 1.332 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@H](n2cncn2)C1 44183241 572365657 /nfs/dbraw/zinc/36/56/57/572365657.db2.gz PEYNCYNPGSKUHT-BBBLOLIVSA-N 0 0 195.266 1.390 10 0 ADAERN CCCCN[C@H]1C[C@@H](C)OC1=O 307999696 572365666 /nfs/dbraw/zinc/36/56/66/572365666.db2.gz YOUKFRQXODYOEG-SFYZADRCSA-N 0 0 171.240 1.080 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@H](n2cccn2)C1 44182708 572365721 /nfs/dbraw/zinc/36/57/21/572365721.db2.gz OBZFCWSYZNBUNK-GMTAPVOTSA-N 0 0 194.278 1.995 10 0 ADAERN C[C@@H]1CC[C@H]1N1N[C@H](CC2CC2)C1=O 713870984 572365747 /nfs/dbraw/zinc/36/57/47/572365747.db2.gz ZLNZKAGUDKTCRB-SZEHBUNVSA-N 0 0 194.278 1.300 10 0 ADAERN COc1ccc(N)cc1OC[C@@H](C)O 83676046 572365752 /nfs/dbraw/zinc/36/57/52/572365752.db2.gz PLJUOHZDDOHCKL-SSDOTTSWSA-N 0 0 197.234 1.037 10 0 ADAERN c1cc2c(o1)NC[C@H]1CCCN21 76594771 572365756 /nfs/dbraw/zinc/36/57/56/572365756.db2.gz YIQZKQMLFVOEHV-SSDOTTSWSA-N 0 0 164.208 1.674 10 0 ADAERN CC(C)(C[NH2+]CCCF)C(=O)[O-] 307998953 572365766 /nfs/dbraw/zinc/36/57/66/572365766.db2.gz FHYNEYKBCZHQNG-UHFFFAOYSA-N 0 0 177.219 1.046 10 0 ADAERN CSc1sccc1CO 44198883 572365792 /nfs/dbraw/zinc/36/57/92/572365792.db2.gz AJUDVKPXUNESFW-UHFFFAOYSA-N 0 0 160.263 1.962 10 0 ADAERN Cn1ccc(N)c1-c1ncco1 76594472 572365822 /nfs/dbraw/zinc/36/58/22/572365822.db2.gz PQIOULJUZXJNDT-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN C[C@@H]1C[C@@H]1NCC(F)(F)C(F)F 307999577 572365834 /nfs/dbraw/zinc/36/58/34/572365834.db2.gz GAXZJKFMOBBHBB-UHNVWZDZSA-N 0 0 185.164 1.885 10 0 ADAERN Cn1cc(N)c2c(F)cccc21 76594722 572365853 /nfs/dbraw/zinc/36/58/53/572365853.db2.gz CZQAOUMASMMEKC-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN CC[C@H](O)C(=O)OC1CCCC1 307999222 572365859 /nfs/dbraw/zinc/36/58/59/572365859.db2.gz YGQOURMLDBAACL-QMMMGPOBSA-N 0 0 172.224 1.243 10 0 ADAERN CC/C=C(\C)[C@@H]([NH3+])CC(=O)[O-] 44214923 572365860 /nfs/dbraw/zinc/36/58/60/572365860.db2.gz JTDRAOGAXBXINC-KNIZRNDPSA-N 0 0 157.213 1.145 10 0 ADAERN Cc1c(C=O)c2c(n1C)CCC2 76594545 572365870 /nfs/dbraw/zinc/36/58/70/572365870.db2.gz LYFUWMVEZBVYIB-UHFFFAOYSA-N 0 0 163.220 1.635 10 0 ADAERN COC(=O)NCCSCC1CC1 307999219 572365873 /nfs/dbraw/zinc/36/58/73/572365873.db2.gz YGHNMBBOGUSTAO-UHFFFAOYSA-N 0 0 189.280 1.486 10 0 ADAERN OCCc1c[nH]c2ncccc12 39473497 572365891 /nfs/dbraw/zinc/36/58/91/572365891.db2.gz MNELAFNGGZMCMI-UHFFFAOYSA-N 0 0 162.192 1.098 10 0 ADAERN c1cc2c(o1)N1CCC[C@H]1CN2 76594779 572365906 /nfs/dbraw/zinc/36/59/06/572365906.db2.gz ZCXWVVQHOOBLAF-ZETCQYMHSA-N 0 0 164.208 1.674 10 0 ADAERN CN1CCNc2cc(O)ccc21 76594782 572365942 /nfs/dbraw/zinc/36/59/42/572365942.db2.gz PDSAVHINPVEDQV-UHFFFAOYSA-N 0 0 164.208 1.254 10 0 ADAERN C[C@H]1CNc2ncccc2N1C 76594570 572365948 /nfs/dbraw/zinc/36/59/48/572365948.db2.gz RUOQNOIBAKCQIS-ZETCQYMHSA-N 0 0 163.224 1.332 10 0 ADAERN CC[C@H](O)[C@H](C)n1ccnc1C 44180963 572365983 /nfs/dbraw/zinc/36/59/83/572365983.db2.gz VQPLYJQYLHYVGP-CBAPKCEASA-N 0 0 168.240 1.523 10 0 ADAERN CCOCC(=O)c1coc(C)n1 307999320 572366018 /nfs/dbraw/zinc/36/60/18/572366018.db2.gz FSPPDIVUTZJKSU-UHFFFAOYSA-N 0 0 169.180 1.202 10 0 ADAERN O[C@@H]1CC[C@@H]2SCC[C@H]2C1 76593225 572366019 /nfs/dbraw/zinc/36/60/19/572366019.db2.gz FRKJXNXFQZYHBJ-RNJXMRFFSA-N 0 0 158.266 1.653 10 0 ADAERN CCc1n[nH]c2c(N)cn(C)c12 76594868 572366062 /nfs/dbraw/zinc/36/60/62/572366062.db2.gz GNEVGHJWVLPBBF-UHFFFAOYSA-N 0 0 164.212 1.046 10 0 ADAERN CCCC(=O)c1ccc(=O)[nH]c1C 39428335 572366076 /nfs/dbraw/zinc/36/60/76/572366076.db2.gz MSXMPMNVVDJBHQ-UHFFFAOYSA-N 0 0 179.219 1.666 10 0 ADAERN CCCCC[C@@H]1CCO[C@@H]1CO 307998611 572366081 /nfs/dbraw/zinc/36/60/81/572366081.db2.gz FFMBFNJHOMPALJ-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CC[C@@H](COC)Nc1ncns1 83669237 572366089 /nfs/dbraw/zinc/36/60/89/572366089.db2.gz WOLYYTAKOPQUEE-LURJTMIESA-N 0 0 187.268 1.375 10 0 ADAERN CC[C@@H](O)C(=O)OC1CCCC1 307999221 572366100 /nfs/dbraw/zinc/36/61/00/572366100.db2.gz YGQOURMLDBAACL-MRVPVSSYSA-N 0 0 172.224 1.243 10 0 ADAERN Cn1cc(N)cc1-c1cnco1 76594465 572366138 /nfs/dbraw/zinc/36/61/38/572366138.db2.gz ZKGMAWHVWCFBCL-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CCC[C@@H](C)CN1C[C@H](O)CO1 307999843 572366150 /nfs/dbraw/zinc/36/61/50/572366150.db2.gz GFXGVGDKUZNUEK-BDAKNGLRSA-N 0 0 173.256 1.031 10 0 ADAERN O=Cc1coc2c(O)cccc12 76594163 572366165 /nfs/dbraw/zinc/36/61/65/572366165.db2.gz LKRVJQBLZOSSHB-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@H](n2cccn2)C1 44182702 572366194 /nfs/dbraw/zinc/36/61/94/572366194.db2.gz OBZFCWSYZNBUNK-MXWKQRLJSA-N 0 0 194.278 1.995 10 0 ADAERN Cn1cc(O)c2cc(C=O)[nH]c21 76594677 572366226 /nfs/dbraw/zinc/36/62/26/572366226.db2.gz COEGKZATJDZUTR-UHFFFAOYSA-N 0 0 164.164 1.025 10 0 ADAERN COc1ccc(C2OCCO2)c(F)c1 44228579 572371949 /nfs/dbraw/zinc/37/19/49/572371949.db2.gz NZIRPRNRDXSPAP-UHFFFAOYSA-N 0 0 198.193 1.880 10 0 ADAERN Cn1ccc(-c2ncc(N)o2)c1 76594490 572366253 /nfs/dbraw/zinc/36/62/53/572366253.db2.gz WFBVIZNBBMBBEE-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN O[C@@H]1CC[C@@H]2SCC[C@@H]2C1 76593231 572366265 /nfs/dbraw/zinc/36/62/65/572366265.db2.gz FRKJXNXFQZYHBJ-PRJMDXOYSA-N 0 0 158.266 1.653 10 0 ADAERN O=C1CCC[C@@H]1Cc1cn[nH]c1 76594767 572366319 /nfs/dbraw/zinc/36/63/19/572366319.db2.gz AMBOIQNVUDSXDB-MRVPVSSYSA-N 0 0 164.208 1.321 10 0 ADAERN CC(C)Oc1cnccn1 39435754 572366332 /nfs/dbraw/zinc/36/63/32/572366332.db2.gz HXTSOMZAFUTVCP-UHFFFAOYSA-N 0 0 138.170 1.264 10 0 ADAERN CC[C@@H](O)[C@H](C)n1ccnc1 44180579 572366354 /nfs/dbraw/zinc/36/63/54/572366354.db2.gz MFVATMYQJJKSFP-JGVFFNPUSA-N 0 0 154.213 1.215 10 0 ADAERN CC(C)[C@@H]1CCSCC1=O 76593208 572366381 /nfs/dbraw/zinc/36/63/81/572366381.db2.gz JIGMKOJMGALEKS-ZETCQYMHSA-N 0 0 158.266 1.965 10 0 ADAERN [NH3+]C[C@H](C(=O)[O-])C1=CCCCC1 44196427 572366391 /nfs/dbraw/zinc/36/63/91/572366391.db2.gz CXNUGFUCMLEAHE-QMMMGPOBSA-N 0 0 169.224 1.146 10 0 ADAERN O[C@@H]1CC[C@H]2SCC[C@H]2C1 76593223 572366393 /nfs/dbraw/zinc/36/63/93/572366393.db2.gz FRKJXNXFQZYHBJ-XLPZGREQSA-N 0 0 158.266 1.653 10 0 ADAERN Cn1c(C=O)cc2c1NCC2=O 76594680 572366415 /nfs/dbraw/zinc/36/64/15/572366415.db2.gz BROGDDBPVOKMRI-UHFFFAOYSA-N 0 0 164.164 1.025 10 0 ADAERN O[C@H]1CCCCC[C@@H]1n1cccn1 44182918 572366426 /nfs/dbraw/zinc/36/64/26/572366426.db2.gz MFCJAWJGMVJTFK-UWVGGRQHSA-N 0 0 180.251 1.749 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@H](n2cccn2)C1 44182908 572366430 /nfs/dbraw/zinc/36/64/30/572366430.db2.gz NKCNTPPHRYFZHU-OPRDCNLKSA-N 0 0 180.251 1.605 10 0 ADAERN CCO[C@@H]1C[C@@H](CC)CC[C@H]1O 44193170 572366491 /nfs/dbraw/zinc/36/64/91/572366491.db2.gz ZCCZATTUHUFKJT-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CN1CCc2c(C=O)cccc21 76593919 572366518 /nfs/dbraw/zinc/36/65/18/572366518.db2.gz WEDDBXHSWGSIGJ-UHFFFAOYSA-N 0 0 161.204 1.491 10 0 ADAERN Cn1ccc(-c2cc(N)c[nH]2)c1 76593926 572366527 /nfs/dbraw/zinc/36/65/27/572366527.db2.gz DGSBTRWQBTXEOL-UHFFFAOYSA-N 0 0 161.208 1.602 10 0 ADAERN Cn1cc(C=O)cc1CC1CC1 76594566 572366532 /nfs/dbraw/zinc/36/65/32/572366532.db2.gz GPIAGQHXJPUVBK-UHFFFAOYSA-N 0 0 163.220 1.790 10 0 ADAERN CCC(=O)c1ccc(=O)[nH]c1CC 39429423 572366533 /nfs/dbraw/zinc/36/65/33/572366533.db2.gz JMDUPPQVQZVCFS-UHFFFAOYSA-N 0 0 179.219 1.530 10 0 ADAERN CCOc1cccc2c1C(=N)NC2=N 141002840 572366539 /nfs/dbraw/zinc/36/65/39/572366539.db2.gz APQRIVZQXKRJCA-UHFFFAOYSA-N 0 0 189.218 1.130 10 0 ADAERN Cn1cc(N)cc1-c1cnoc1 76594461 572366577 /nfs/dbraw/zinc/36/65/77/572366577.db2.gz IVCKOCGADRHKOM-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN O[C@@H]1CCN(c2cccs2)C1 76597374 572372378 /nfs/dbraw/zinc/37/23/78/572372378.db2.gz XALXPTFNTMQNNZ-SSDOTTSWSA-N 0 0 169.249 1.319 10 0 ADAERN Cc1cccc(C2OCCO2)c1O 44229387 572372379 /nfs/dbraw/zinc/37/23/79/572372379.db2.gz MYMVTFDBJXHHOE-UHFFFAOYSA-N 0 0 180.203 1.746 10 0 ADAERN c1cc2n(c1)-c1ccoc1NC2 76593671 572366609 /nfs/dbraw/zinc/36/66/09/572366609.db2.gz IRGSIUPTTJSJKM-UHFFFAOYSA-N 0 0 160.176 1.996 10 0 ADAERN CCN(C[C@H](C)O)c1ccccc1N 83677045 572366625 /nfs/dbraw/zinc/36/66/25/572366625.db2.gz HKBPFTPZUHLXIC-VIFPVBQESA-N 0 0 194.278 1.476 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1n1cccn1 44182924 572366630 /nfs/dbraw/zinc/36/66/30/572366630.db2.gz MFCJAWJGMVJTFK-VHSXEESVSA-N 0 0 180.251 1.749 10 0 ADAERN Cc1cn(C)c2c1C(=O)CCN2 76594833 572366837 /nfs/dbraw/zinc/36/68/37/572366837.db2.gz UWAPNLFHOGMUOF-UHFFFAOYSA-N 0 0 164.208 1.332 10 0 ADAERN CC(C)/C=C/[C@H]([NH3+])CC(=O)[O-] 44216192 572366715 /nfs/dbraw/zinc/36/67/15/572366715.db2.gz WFZBIXSZVYNICO-SDLBARTOSA-N 0 0 157.213 1.001 10 0 ADAERN C[C@@H]1CNc2ncccc2N1C 76594567 572366756 /nfs/dbraw/zinc/36/67/56/572366756.db2.gz RUOQNOIBAKCQIS-SSDOTTSWSA-N 0 0 163.224 1.332 10 0 ADAERN Cc1noc2c1c(C=O)cn2C 76594684 572366800 /nfs/dbraw/zinc/36/68/00/572366800.db2.gz ZCHRKUVWMISOOG-UHFFFAOYSA-N 0 0 164.164 1.287 10 0 ADAERN Cc1cnnc2c1NCCCN2 76594883 572366848 /nfs/dbraw/zinc/36/68/48/572366848.db2.gz UXQCAXJLXIBKSJ-UHFFFAOYSA-N 0 0 164.212 1.013 10 0 ADAERN COc1ccc(OC[C@H](C)O)c(N)c1 83676021 572366854 /nfs/dbraw/zinc/36/68/54/572366854.db2.gz RAYXQRNMGFSSFR-ZETCQYMHSA-N 0 0 197.234 1.037 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@H](n2ccnc2)C1 44180657 572366859 /nfs/dbraw/zinc/36/68/59/572366859.db2.gz COERBCFKWJWELA-OPRDCNLKSA-N 0 0 180.251 1.605 10 0 ADAERN OCC(CO)c1cc(F)cc(F)c1 44198907 572366873 /nfs/dbraw/zinc/36/68/73/572366873.db2.gz OPUVJTJLYXIGLJ-UHFFFAOYSA-N 0 0 188.173 1.033 10 0 ADAERN COc1ccc(OC[C@@H](C)O)c(N)c1 83676023 572366882 /nfs/dbraw/zinc/36/68/82/572366882.db2.gz RAYXQRNMGFSSFR-SSDOTTSWSA-N 0 0 197.234 1.037 10 0 ADAERN C/C(=C\Cl)Cn1ccnc1C=O 307993291 572366884 /nfs/dbraw/zinc/36/68/84/572366884.db2.gz YUCGTXKEPUROHQ-QPJJXVBHSA-N 0 0 184.626 1.838 10 0 ADAERN C1COC2(C1)CCC1(CC2)OCCO1 39476977 572366912 /nfs/dbraw/zinc/36/69/12/572366912.db2.gz VYPLQXRPFJXSBQ-UHFFFAOYSA-N 0 0 198.262 1.853 10 0 ADAERN COc1cnn(C)c1[C@H](O)CC1CC1 123515559 572366921 /nfs/dbraw/zinc/36/69/21/572366921.db2.gz YGMBWSKLVGMPQY-MRVPVSSYSA-N 0 0 196.250 1.262 10 0 ADAERN CCO[C@@H]1C[C@H](CC)CC[C@H]1O 44193167 572366930 /nfs/dbraw/zinc/36/69/30/572366930.db2.gz ZCCZATTUHUFKJT-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN Cn1cc(N)cc1-c1ccc[nH]1 76593932 572366931 /nfs/dbraw/zinc/36/69/31/572366931.db2.gz RXJHXXBMGGAMAC-UHFFFAOYSA-N 0 0 161.208 1.602 10 0 ADAERN Cn1cccc1-c1oncc1N 76594474 572366940 /nfs/dbraw/zinc/36/69/40/572366940.db2.gz YXRVIVVAQHVYMM-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CCOC(=O)[C@@H](CC)C[C@H](C)O 307992666 572366958 /nfs/dbraw/zinc/36/69/58/572366958.db2.gz YFMZPIKAGDMXDO-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN CCCC[C@H]1SCCNC1=O 39428815 572366959 /nfs/dbraw/zinc/36/69/59/572366959.db2.gz IHAASKVYTDOONZ-SSDOTTSWSA-N 0 0 173.281 1.408 10 0 ADAERN Cc1cn(C)c2c1NCCC2=O 76594835 572366961 /nfs/dbraw/zinc/36/69/61/572366961.db2.gz WTCLTSRBDKIKGB-UHFFFAOYSA-N 0 0 164.208 1.332 10 0 ADAERN Cn1ccc2c(N)c(O)ccc21 76594239 572366987 /nfs/dbraw/zinc/36/69/87/572366987.db2.gz 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YFMZPIKAGDMXDO-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN COCC[C@@H](C)Nc1ncns1 83669420 572367054 /nfs/dbraw/zinc/36/70/54/572367054.db2.gz ONZMDTVVRIBJAV-ZCFIWIBFSA-N 0 0 187.268 1.375 10 0 ADAERN CC(=O)c1cc2c(n1C)CCC2 76594549 572367101 /nfs/dbraw/zinc/36/71/01/572367101.db2.gz KMSZFHHHYCSKEL-UHFFFAOYSA-N 0 0 163.220 1.716 10 0 ADAERN CCCCC[C@@H]1C[C@H](CO)OC1=O 238221497 572373010 /nfs/dbraw/zinc/37/30/10/572373010.db2.gz PXTHRIWOTAUQRS-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN CN1CCCn2cc(C=O)cc21 76594807 572367110 /nfs/dbraw/zinc/36/71/10/572367110.db2.gz XTDWOKVUTOJBGC-UHFFFAOYSA-N 0 0 164.208 1.141 10 0 ADAERN Cc1nc2c(C=O)cn(C)c2[nH]1 76594477 572367118 /nfs/dbraw/zinc/36/71/18/572367118.db2.gz MBDCOTJWCHAURQ-UHFFFAOYSA-N 0 0 163.180 1.022 10 0 ADAERN COCCCCNc1ncns1 83654828 572367119 /nfs/dbraw/zinc/36/71/19/572367119.db2.gz SEHPMPICTKUSBG-UHFFFAOYSA-N 0 0 187.268 1.377 10 0 ADAERN Cn1cc(-n2cccc2)cc1N 76593921 572367127 /nfs/dbraw/zinc/36/71/27/572367127.db2.gz QPWIKVXSVPNHHQ-UHFFFAOYSA-N 0 0 161.208 1.398 10 0 ADAERN CC[C@@H](O)C(=O)OCCC1CC1 307993234 572367130 /nfs/dbraw/zinc/36/71/30/572367130.db2.gz VBIHBLSDBTYUNO-MRVPVSSYSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@H]1CC[C@H]2[C@@H](N1)C(=O)OC2(C)C 141033893 572367143 /nfs/dbraw/zinc/36/71/43/572367143.db2.gz GKENKMJYVBBQSG-BIIVOSGPSA-N 0 0 183.251 1.079 10 0 ADAERN CCO[C@H](C)c1nc(SC)no1 308000452 572367155 /nfs/dbraw/zinc/36/71/55/572367155.db2.gz ZFFAFLOVSICISJ-RXMQYKEDSA-N 0 0 188.252 1.889 10 0 ADAERN CCc1ccc(OC[C@@H](C)O)c(N)c1 83676156 572367170 /nfs/dbraw/zinc/36/71/70/572367170.db2.gz VNEUOAMOYTXMMT-MRVPVSSYSA-N 0 0 195.262 1.591 10 0 ADAERN CCOC[C@H](C)Nc1ncns1 83654870 572367200 /nfs/dbraw/zinc/36/72/00/572367200.db2.gz ADYDIQQDLLULOP-LURJTMIESA-N 0 0 187.268 1.375 10 0 ADAERN Cc1nn(C)c(C)c1C1OCCO1 44228410 572373702 /nfs/dbraw/zinc/37/37/02/572373702.db2.gz LHMAGUXCFLCGTD-UHFFFAOYSA-N 0 0 182.223 1.082 10 0 ADAERN C[C@H](C[C@@H]1CCCO1)Nc1cn[nH]c1 689723532 572367260 /nfs/dbraw/zinc/36/72/60/572367260.db2.gz ZZVFXDARLOAMHV-SCZZXKLOSA-N 0 0 195.266 1.779 10 0 ADAERN COC[C@H](C)CNc1ncns1 83668235 572367261 /nfs/dbraw/zinc/36/72/61/572367261.db2.gz MNRIPAOXBUHNOY-ZCFIWIBFSA-N 0 0 187.268 1.233 10 0 ADAERN c1cc2c(o1)NC[C@@H]1CCCN21 76594774 572367264 /nfs/dbraw/zinc/36/72/64/572367264.db2.gz YIQZKQMLFVOEHV-ZETCQYMHSA-N 0 0 164.208 1.674 10 0 ADAERN CCNC(=O)CSC[C@@H](F)CC 307992884 572367272 /nfs/dbraw/zinc/36/72/72/572367272.db2.gz UVFAZESUMZYHRQ-ZETCQYMHSA-N 0 0 193.287 1.604 10 0 ADAERN C[C@H]1CCCC[C@@H]1OCCO 44217597 572369244 /nfs/dbraw/zinc/36/92/44/572369244.db2.gz UAZHEMZBKAKHHK-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cc(C)cc(CCON)c1 76595173 572369246 /nfs/dbraw/zinc/36/92/46/572369246.db2.gz AZZCGCZTZUIUHD-UHFFFAOYSA-N 0 0 165.236 1.736 10 0 ADAERN c1csc(N[C@@H]2CCOC2)c1 76597368 572373883 /nfs/dbraw/zinc/37/38/83/572373883.db2.gz XUKXUNKAZVUQHU-SSDOTTSWSA-N 0 0 169.249 1.949 10 0 ADAERN CCOC(=O)N(C)CCC1CC1 307996279 572373884 /nfs/dbraw/zinc/37/38/84/572373884.db2.gz WMJFZYKRKTUVJH-UHFFFAOYSA-N 0 0 171.240 1.875 10 0 ADAERN CCCCNc1nnc(CO)s1 307993745 572367385 /nfs/dbraw/zinc/36/73/85/572367385.db2.gz VECBAWFKUOLSJA-UHFFFAOYSA-N 0 0 187.268 1.242 10 0 ADAERN CC[C@@H](C)ONC(=O)C1CCC1 308000541 572367411 /nfs/dbraw/zinc/36/74/11/572367411.db2.gz ZHCNPDFFDUYATN-SSDOTTSWSA-N 0 0 171.240 1.633 10 0 ADAERN CCCCN[C@@H](C)c1ncon1 307992815 572367444 /nfs/dbraw/zinc/36/74/44/572367444.db2.gz URGUXCSMTOBSDT-ZETCQYMHSA-N 0 0 169.228 1.520 10 0 ADAERN CCC/C=C/COC(=O)NC(N)=O 307993582 572367455 /nfs/dbraw/zinc/36/74/55/572367455.db2.gz SWCXDCFVUXVBRU-SNAWJCMRSA-N 0 0 186.211 1.148 10 0 ADAERN Oc1ccc2c(c1)NCCCN2 76594785 572367461 /nfs/dbraw/zinc/36/74/61/572367461.db2.gz NLPFKHSXDYAOSC-UHFFFAOYSA-N 0 0 164.208 1.620 10 0 ADAERN C[C@H](O)[C@H](C)OCC(F)(F)F 44192057 572367462 /nfs/dbraw/zinc/36/74/62/572367462.db2.gz XTZWUEVSUDFOGP-WHFBIAKZSA-N 0 0 172.146 1.335 10 0 ADAERN C/C=C/C=C/C1OCCO1 44227713 572374057 /nfs/dbraw/zinc/37/40/57/572374057.db2.gz BLUFQDVFEXVLOL-MQQKCMAXSA-N 0 0 140.182 1.492 10 0 ADAERN CCO[C@H](C)[C@H](O)CC 44193176 572367501 /nfs/dbraw/zinc/36/75/01/572367501.db2.gz HOZSQNYECOPBST-RNFRBKRXSA-N 0 0 132.203 1.182 10 0 ADAERN O=c1cc(Cl)[nH]c(CO)c1Cl 44198826 572367508 /nfs/dbraw/zinc/36/75/08/572367508.db2.gz AJCISNXYLAFPJL-UHFFFAOYSA-N 0 0 194.017 1.586 10 0 ADAERN Cc1ccc(C)c([C@H](C[NH3+])C(=O)[O-])c1 44196474 572367518 /nfs/dbraw/zinc/36/75/18/572367518.db2.gz XMBMJROEURJMLG-JTQLQIEISA-N 0 0 193.246 1.430 10 0 ADAERN CC[C@H](C)[C@H](O)P(=O)(OC)OC 307993282 572367519 /nfs/dbraw/zinc/36/75/19/572367519.db2.gz YTYSKYFOARFBBD-NKWVEPMBSA-N 0 0 196.183 1.837 10 0 ADAERN CCO[C@H](C)[C@@H](O)CC 44193173 572367524 /nfs/dbraw/zinc/36/75/24/572367524.db2.gz HOZSQNYECOPBST-RQJHMYQMSA-N 0 0 132.203 1.182 10 0 ADAERN c1occ2c1NC[C@H]1CCCN21 76594768 572367541 /nfs/dbraw/zinc/36/75/41/572367541.db2.gz XQUOKDFEWJJKJK-SSDOTTSWSA-N 0 0 164.208 1.674 10 0 ADAERN Cn1ccc(N)c1-c1ccon1 76594468 572367555 /nfs/dbraw/zinc/36/75/55/572367555.db2.gz ICGYMYHHOOARNU-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN C[C@@H]1CC[C@@H]1N1N[C@@H](CC2CC2)C1=O 713870977 572367580 /nfs/dbraw/zinc/36/75/80/572367580.db2.gz ZLNZKAGUDKTCRB-JEZHCXPESA-N 0 0 194.278 1.300 10 0 ADAERN Cc1cc([C@@H]([NH3+])CC(=O)[O-])sc1C 44216218 572367581 /nfs/dbraw/zinc/36/75/81/572367581.db2.gz KSJWCUKVHNVKKK-ZETCQYMHSA-N 0 0 199.275 1.839 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)C1CCC1 307995094 572371186 /nfs/dbraw/zinc/37/11/86/572371186.db2.gz BCLDBNYVJVZRGC-APPZFPTMSA-N 0 0 168.236 1.986 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@H](n2ccnc2)C1 44180565 572367590 /nfs/dbraw/zinc/36/75/90/572367590.db2.gz CEYWCMLNDCKENN-MXWKQRLJSA-N 0 0 194.278 1.995 10 0 ADAERN O[C@H]1CCC[C@@H]1OC[C@@H]1CCCO1 44216285 572367597 /nfs/dbraw/zinc/36/75/97/572367597.db2.gz LVESPQNHHNMQQG-GUBZILKMSA-N 0 0 186.251 1.095 10 0 ADAERN CCCCNc1ncc(CO)s1 307992602 572367600 /nfs/dbraw/zinc/36/76/00/572367600.db2.gz UPRDXHVODBXWFO-UHFFFAOYSA-N 0 0 186.280 1.847 10 0 ADAERN O[C@@H]1CCCCC[C@H]1n1cccn1 44182921 572367605 /nfs/dbraw/zinc/36/76/05/572367605.db2.gz MFCJAWJGMVJTFK-NXEZZACHSA-N 0 0 180.251 1.749 10 0 ADAERN CSCCC[N@H+](C)/C=C\C(=O)[O-] 307992689 572367606 /nfs/dbraw/zinc/36/76/06/572367606.db2.gz YKOPBNLGUROJJI-XQRVVYSFSA-N 0 0 189.280 1.270 10 0 ADAERN COc1ccc(C[C@H](O)C2CC2)cn1 87116091 572371188 /nfs/dbraw/zinc/37/11/88/572371188.db2.gz PCXDXJPVFHCYDX-JTQLQIEISA-N 0 0 193.246 1.404 10 0 ADAERN CC[C@H](O)[C@@H](C)n1ccnc1C 44180959 572367632 /nfs/dbraw/zinc/36/76/32/572367632.db2.gz VQPLYJQYLHYVGP-APPZFPTMSA-N 0 0 168.240 1.523 10 0 ADAERN Cc1nn(C(C)(C)C)c(C)c1CO 44198653 572367645 /nfs/dbraw/zinc/36/76/45/572367645.db2.gz SYDGBGRYHYPTTD-UHFFFAOYSA-N 0 0 182.267 1.747 10 0 ADAERN C[C@H](O)CCOC1CCCC1 44191305 572367648 /nfs/dbraw/zinc/36/76/48/572367648.db2.gz ANJPMNABLQANPY-QMMMGPOBSA-N 0 0 158.241 1.717 10 0 ADAERN Cc1nn(CC[C@H](C)O)c(C)c1C 44187014 572367706 /nfs/dbraw/zinc/36/77/06/572367706.db2.gz FCAZJTOLKMNGSO-ZETCQYMHSA-N 0 0 182.267 1.579 10 0 ADAERN CCCC[C@@H]1SCCNC1=O 39428816 572367720 /nfs/dbraw/zinc/36/77/20/572367720.db2.gz IHAASKVYTDOONZ-ZETCQYMHSA-N 0 0 173.281 1.408 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]([NH3+])C1CCCCC1 44196361 572367715 /nfs/dbraw/zinc/36/77/15/572367715.db2.gz RKMKBWNSAHLZLE-CBAPKCEASA-N 0 0 185.267 1.615 10 0 ADAERN COC(=O)[C@H](C)Oc1cncc(F)c1 307992453 572367717 /nfs/dbraw/zinc/36/77/17/572367717.db2.gz RGWMZDPHZMHLLI-LURJTMIESA-N 0 0 199.181 1.161 10 0 ADAERN O[C@@H]1CCCC[C@@H]1OCC(F)(F)F 44192172 572367724 /nfs/dbraw/zinc/36/77/24/572367724.db2.gz XCEQVLKFSOQVJS-RQJHMYQMSA-N 0 0 198.184 1.869 10 0 ADAERN C[C@H](O)[C@@H](C)OCC(F)(F)F 44192051 572367727 /nfs/dbraw/zinc/36/77/27/572367727.db2.gz XTZWUEVSUDFOGP-CRCLSJGQSA-N 0 0 172.146 1.335 10 0 ADAERN CC[C@H](F)CSCCOCCO 307992877 572367742 /nfs/dbraw/zinc/36/77/42/572367742.db2.gz UUUSUCJMQJXEPV-QMMMGPOBSA-N 0 0 196.287 1.477 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])C1=CCCCC1 44196423 572367753 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ADAERN CC(C)CO[C@@H]1CCC[C@H]1O 44219971 572371105 /nfs/dbraw/zinc/37/11/05/572371105.db2.gz JMZXHJIZWPFGTN-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN CCS[C@H](CCCC[NH3+])C(=O)[O-] 307995218 572371115 /nfs/dbraw/zinc/37/11/15/572371115.db2.gz BHNDHSCHUOCHFF-SSDOTTSWSA-N 0 0 191.296 1.322 10 0 ADAERN CCCC1=NO[C@](C)(CO)C1 141098950 572371148 /nfs/dbraw/zinc/37/11/48/572371148.db2.gz DZZNTJJNLBMRQW-QMMMGPOBSA-N 0 0 157.213 1.314 10 0 ADAERN CC[C@@H](O)Cc1ccc(OC)nc1 87116104 572371162 /nfs/dbraw/zinc/37/11/62/572371162.db2.gz LKBGODBSUKNURV-SECBINFHSA-N 0 0 181.235 1.404 10 0 ADAERN Cc1cc(F)cc([C@H]([NH3+])CC(=O)[O-])c1 44219057 572371175 /nfs/dbraw/zinc/37/11/75/572371175.db2.gz DRRQITQKLPQMJF-SECBINFHSA-N 0 0 197.209 1.609 10 0 ADAERN CC(C)C[C@@H](C)OC(=O)[C@@H](C)O 307994461 572371179 /nfs/dbraw/zinc/37/11/79/572371179.db2.gz AYTWIPDPFXSTSI-HTQZYQBOSA-N 0 0 174.240 1.345 10 0 ADAERN CC(C)CCO[C@H]1CCC[C@H]1O 44218569 572370988 /nfs/dbraw/zinc/37/09/88/572370988.db2.gz 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169.249 1.319 10 0 ADAERN Oc1ccc(O)c(C2OCCO2)c1 44227436 572373080 /nfs/dbraw/zinc/37/30/80/572373080.db2.gz RBBISJVVPJBDPS-UHFFFAOYSA-N 0 0 182.175 1.143 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccc(C=O)nc1 87131134 572373104 /nfs/dbraw/zinc/37/31/04/572373104.db2.gz ZQYHYYXZDBEMTR-JGVFFNPUSA-N 0 0 195.218 1.042 10 0 ADAERN CC[NH2+]CC[C@@H](C)CCC(=O)[O-] 83682060 572373109 /nfs/dbraw/zinc/37/31/09/572373109.db2.gz DZHFZDUMYLQHFJ-QMMMGPOBSA-N 0 0 173.256 1.487 10 0 ADAERN CC/C=C(\C)C1OCCO1 44227653 572373112 /nfs/dbraw/zinc/37/31/12/572373112.db2.gz VLCVCBUEUHADDD-QPJJXVBHSA-N 0 0 142.198 1.716 10 0 ADAERN C[C@H](O)[C@H](C)Oc1ccc(C=O)cc1 87131064 572373157 /nfs/dbraw/zinc/37/31/57/572373157.db2.gz YACIBNVLKSUCJO-IUCAKERBSA-N 0 0 194.230 1.647 10 0 ADAERN Cc1n[nH]cc1NC1CSC1 76597380 572373685 /nfs/dbraw/zinc/37/36/85/572373685.db2.gz PYNDEOBTHIODMW-UHFFFAOYSA-N 0 0 169.253 1.245 10 0 ADAERN CC(C)(C)O[C@H]1CCC[C@@H]1O 44227034 572373170 /nfs/dbraw/zinc/37/31/70/572373170.db2.gz KPIIEDPHZWKQHQ-YUMQZZPRSA-N 0 0 158.241 1.715 10 0 ADAERN C1=C(C2OCCO2)CCCC1 44229657 572373186 /nfs/dbraw/zinc/37/31/86/572373186.db2.gz MIIOTBYLGOFAST-UHFFFAOYSA-N 0 0 154.209 1.860 10 0 ADAERN C[NH2+][C@H](C)CCC[C@@H](C)C(=O)[O-] 83682428 572373213 /nfs/dbraw/zinc/37/32/13/572373213.db2.gz GHSWCBDCHQFOTG-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN CCCCC[C@@H]1NC(=O)[C@@H](O)[C@@H]1C 238222041 572373226 /nfs/dbraw/zinc/37/32/26/572373226.db2.gz MJNLEVQONWGPBK-VGMNWLOBSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@H](O)[C@H](C)Oc1cccc(CO)c1 87131432 572373232 /nfs/dbraw/zinc/37/32/32/572373232.db2.gz BBXNXSMWKZKJOW-IUCAKERBSA-N 0 0 196.246 1.327 10 0 ADAERN C[NH2+][C@@H](C)CCC[C@@H](C)C(=O)[O-] 83682430 572373254 /nfs/dbraw/zinc/37/32/54/572373254.db2.gz GHSWCBDCHQFOTG-SFYZADRCSA-N 0 0 173.256 1.485 10 0 ADAERN CCC(CC)Sc1nncn1N 307996697 572373264 /nfs/dbraw/zinc/37/32/64/572373264.db2.gz WUKFNKNJDDATLN-UHFFFAOYSA-N 0 0 186.284 1.273 10 0 ADAERN CSc1c(C)nc(N)nc1C 76597389 572373334 /nfs/dbraw/zinc/37/33/34/572373334.db2.gz PAJOUMXIFFXRHE-UHFFFAOYSA-N 0 0 169.253 1.398 10 0 ADAERN Oc1ccccc1/C=C/C1OCCO1 44228707 572373365 /nfs/dbraw/zinc/37/33/65/572373365.db2.gz ZPZLYEJAUIYDNT-AATRIKPKSA-N 0 0 192.214 1.778 10 0 ADAERN CCCOC(=O)CN(CC)CC 308002711 572373367 /nfs/dbraw/zinc/37/33/67/572373367.db2.gz BKHVKUGVDRUVQZ-UHFFFAOYSA-N 0 0 173.256 1.281 10 0 ADAERN c1ccc(COCC2OCCO2)cc1 44229140 572373386 /nfs/dbraw/zinc/37/33/86/572373386.db2.gz NGUQFYJWAHUHFF-UHFFFAOYSA-N 0 0 194.230 1.576 10 0 ADAERN CC[C@@H](O)[C@@H](C)OC(C)(C)C 44226679 572373429 /nfs/dbraw/zinc/37/34/29/572373429.db2.gz FPYPDNQOWAQNSB-HTQZYQBOSA-N 0 0 160.257 1.961 10 0 ADAERN CC/C=C/C1OCCO1 44228896 572373463 /nfs/dbraw/zinc/37/34/63/572373463.db2.gz WBKXNHINWNGOTD-ONEGZZNKSA-N 0 0 128.171 1.326 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccccc1C=O 87131078 572373438 /nfs/dbraw/zinc/37/34/38/572373438.db2.gz XPWMFENROSLACP-DTWKUNHWSA-N 0 0 194.230 1.647 10 0 ADAERN CCC[C@@](C)(C(C)=O)C(=O)OC 238222685 572373439 /nfs/dbraw/zinc/37/34/39/572373439.db2.gz WSUOAQGFLIGNNF-VIFPVBQESA-N 0 0 172.224 1.555 10 0 ADAERN O[C@H]1CCC[C@@H]1OCC1CC1 44232219 572373442 /nfs/dbraw/zinc/37/34/42/572373442.db2.gz GJCKGOGQYROLQL-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)=C[C@H](C)OC(=O)[C@@H](C)O 308002770 572373446 /nfs/dbraw/zinc/37/34/46/572373446.db2.gz BQXYBIWARQLGDR-JGVFFNPUSA-N 0 0 172.224 1.265 10 0 ADAERN CC(C)[NH2+]CC[C@H](C)CCC(=O)[O-] 83682035 572373452 /nfs/dbraw/zinc/37/34/52/572373452.db2.gz GQSZBOYOOPXYKO-SECBINFHSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)(C)CC1OCCO1 44229379 572373469 /nfs/dbraw/zinc/37/34/69/572373469.db2.gz LMLYBGGMKCQAKP-UHFFFAOYSA-N 0 0 144.214 1.796 10 0 ADAERN [S-]C1=[NH+][C@H](c2cccs2)C=CN1 141038987 572373471 /nfs/dbraw/zinc/37/34/71/572373471.db2.gz JNQUZVDZPCZPRP-LURJTMIESA-N 0 0 196.300 1.781 10 0 ADAERN COc1cccc(C2OCCO2)c1O 44227392 572373500 /nfs/dbraw/zinc/37/35/00/572373500.db2.gz SJWXOONQWUZZAE-UHFFFAOYSA-N 0 0 196.202 1.446 10 0 ADAERN CN1CCCNc2cscc21 76596782 572373536 /nfs/dbraw/zinc/37/35/36/572373536.db2.gz DRRKMBJCKYYDRS-UHFFFAOYSA-N 0 0 168.265 2.000 10 0 ADAERN CCC1=CC[C@@H](O)C1 141043015 572373585 /nfs/dbraw/zinc/37/35/85/572373585.db2.gz QABFPLXWUGEHJS-SSDOTTSWSA-N 0 0 112.172 1.478 10 0 ADAERN CCC[NH2+]CC[C@@H](C)CCC(=O)[O-] 83682066 572373631 /nfs/dbraw/zinc/37/36/31/572373631.db2.gz SGMNRTOTCFANIT-VIFPVBQESA-N 0 0 187.283 1.877 10 0 ADAERN CC[C@H](O)[C@H](C)OC(C)(C)C 44226684 572373726 /nfs/dbraw/zinc/37/37/26/572373726.db2.gz FPYPDNQOWAQNSB-YUMQZZPRSA-N 0 0 160.257 1.961 10 0 ADAERN CCOC[C@@H](O)c1coc(C)n1 307996572 572373734 /nfs/dbraw/zinc/37/37/34/572373734.db2.gz CHSMANVJGMRAGI-MRVPVSSYSA-N 0 0 171.196 1.053 10 0 ADAERN CCCCOC(=O)c1ncc[nH]c1=O 238221392 572373738 /nfs/dbraw/zinc/37/37/38/572373738.db2.gz BHFCBONVFPRBIV-UHFFFAOYSA-N 0 0 196.206 1.139 10 0 ADAERN Nc1c(Cl)[nH]c2ncncc12 76597128 572373752 /nfs/dbraw/zinc/37/37/52/572373752.db2.gz SYLCMTMKWISQFE-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN COc1cccc(F)c1C1OCCO1 44229781 572373897 /nfs/dbraw/zinc/37/38/97/572373897.db2.gz YEILFLITYJEGQH-UHFFFAOYSA-N 0 0 198.193 1.880 10 0 ADAERN CCCC(=O)C[C@@H](C)[C@@H](C)O 87131705 572373796 /nfs/dbraw/zinc/37/37/96/572373796.db2.gz MUSOSRZIEIASSB-HTQZYQBOSA-N 0 0 158.241 1.763 10 0 ADAERN Cc1cc(F)cc(C2OCCO2)c1O 44231663 572373798 /nfs/dbraw/zinc/37/37/98/572373798.db2.gz MEXUTUCXSQRAEP-UHFFFAOYSA-N 0 0 198.193 1.885 10 0 ADAERN C[C@H](CC[NH2+]CC1CC1)CCC(=O)[O-] 83682080 572373812 /nfs/dbraw/zinc/37/38/12/572373812.db2.gz MKPAPQUSUYRHPR-VIFPVBQESA-N 0 0 199.294 1.877 10 0 ADAERN C[C@H](O)CCOCC1CC1 44231665 572373814 /nfs/dbraw/zinc/37/38/14/572373814.db2.gz BIVXDYSLMSYCLA-ZETCQYMHSA-N 0 0 144.214 1.184 10 0 ADAERN CCC(=O)CCc1cn(C)cn1 307995967 572373815 /nfs/dbraw/zinc/37/38/15/572373815.db2.gz BVAWMCCJTWYWJY-UHFFFAOYSA-N 0 0 166.224 1.332 10 0 ADAERN Cc1noc(C)c1C1OCCO1 44228793 572373827 /nfs/dbraw/zinc/37/38/27/572373827.db2.gz UIAVJXVPRBPBRD-UHFFFAOYSA-N 0 0 169.180 1.337 10 0 ADAERN C[C@H](O)[C@H](C)Oc1ccccc1CO 87131444 572373881 /nfs/dbraw/zinc/37/38/81/572373881.db2.gz CPOYWAMZBLGWJB-IUCAKERBSA-N 0 0 196.246 1.327 10 0 ADAERN CC(C)=C[C@@H](C)OC(=O)[C@@H](C)O 308002767 572373853 /nfs/dbraw/zinc/37/38/53/572373853.db2.gz BQXYBIWARQLGDR-HTQZYQBOSA-N 0 0 172.224 1.265 10 0 ADAERN CCC(C)(C)O[C@@H](C)[C@H](C)O 44228516 572373870 /nfs/dbraw/zinc/37/38/70/572373870.db2.gz BWUFNYSERMMPBF-YUMQZZPRSA-N 0 0 160.257 1.961 10 0 ADAERN CCCN(CC(F)F)C1COC1 307995361 572373874 /nfs/dbraw/zinc/37/38/74/572373874.db2.gz WCCUHYJFTGJKLE-UHFFFAOYSA-N 0 0 179.210 1.362 10 0 ADAERN COc1ccc(F)cc1C1OCCO1 44228382 572373904 /nfs/dbraw/zinc/37/39/04/572373904.db2.gz LHIFKOXEXXCMFI-UHFFFAOYSA-N 0 0 198.193 1.880 10 0 ADAERN CC(C)=C[C@H](C)OC(=O)[C@H](C)O 308002779 572373921 /nfs/dbraw/zinc/37/39/21/572373921.db2.gz BQXYBIWARQLGDR-YUMQZZPRSA-N 0 0 172.224 1.265 10 0 ADAERN CC(C)CCCOCCO 44227893 572373926 /nfs/dbraw/zinc/37/39/26/572373926.db2.gz WFMPPNQMYUMGFY-UHFFFAOYSA-N 0 0 146.230 1.432 10 0 ADAERN CC[C@H](O)[C@@H](C)OC(C)(C)C 44226674 572373937 /nfs/dbraw/zinc/37/39/37/572373937.db2.gz FPYPDNQOWAQNSB-SFYZADRCSA-N 0 0 160.257 1.961 10 0 ADAERN CCCCOC(=S)NC(=O)CC 238221545 572373939 /nfs/dbraw/zinc/37/39/39/572373939.db2.gz JATLPNHOJIEVRD-UHFFFAOYSA-N 0 0 189.280 1.614 10 0 ADAERN CC(C)(C)O[C@@H]1CCC[C@@H]1O 44227029 572373941 /nfs/dbraw/zinc/37/39/41/572373941.db2.gz KPIIEDPHZWKQHQ-JGVFFNPUSA-N 0 0 158.241 1.715 10 0 ADAERN CCC[NH2+]CC[C@H](C)CCC(=O)[O-] 83682067 572373991 /nfs/dbraw/zinc/37/39/91/572373991.db2.gz SGMNRTOTCFANIT-SECBINFHSA-N 0 0 187.283 1.877 10 0 ADAERN CCC(=O)COC(=O)CC1CC1 308002631 572374003 /nfs/dbraw/zinc/37/40/03/572374003.db2.gz BPBOFNVODJRWIA-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN Cc1cc(C2OCCO2)ccc1O 44229332 572374010 /nfs/dbraw/zinc/37/40/10/572374010.db2.gz JGQCVQKNDDVLLR-UHFFFAOYSA-N 0 0 180.203 1.746 10 0 ADAERN c1cc2c(c(C3OCCO3)c1)OCO2 44227843 572374014 /nfs/dbraw/zinc/37/40/14/572374014.db2.gz DFBNAPDOXCHMFA-UHFFFAOYSA-N 0 0 194.186 1.461 10 0 ADAERN CCS(=O)(=O)N(C)CCCCF 307995817 572374016 /nfs/dbraw/zinc/37/40/16/572374016.db2.gz WEOWHJBKPIJUBX-UHFFFAOYSA-N 0 0 197.275 1.018 10 0 ADAERN C1=C(C2OCCO2)CCCO1 44228195 572374019 /nfs/dbraw/zinc/37/40/19/572374019.db2.gz CRUMUYOBHXSNJS-UHFFFAOYSA-N 0 0 156.181 1.054 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1cccc(CO)c1 87131430 572374048 /nfs/dbraw/zinc/37/40/48/572374048.db2.gz BBXNXSMWKZKJOW-DTWKUNHWSA-N 0 0 196.246 1.327 10 0 ADAERN C[C@H](Oc1cccc(C=O)c1)[C@@H](C)O 87131069 572374075 /nfs/dbraw/zinc/37/40/75/572374075.db2.gz HOYCWYRLUMLGOB-BDAKNGLRSA-N 0 0 194.230 1.647 10 0 ADAERN CC=C=C(CCCC)[C@@H](O)C(=O)OC 238221748 572374118 /nfs/dbraw/zinc/37/41/18/572374118.db2.gz YBXBVTLGVJKYRT-OMNKOJBGSA-N 0 0 198.262 1.812 10 0 ADAERN Fc1cccc(C2OCCO2)c1 44227470 572374167 /nfs/dbraw/zinc/37/41/67/572374167.db2.gz MDYQKLPZGKDZMF-UHFFFAOYSA-N 0 0 168.167 1.871 10 0 ADAERN Cc1ccc(O)c(C2OCCO2)c1 44229684 572374188 /nfs/dbraw/zinc/37/41/88/572374188.db2.gz ZXDMGEUCJPIRFH-UHFFFAOYSA-N 0 0 180.203 1.746 10 0 ADAERN O[C@@H]1CCC[C@@H]1OCC1CC1 44232223 572374194 /nfs/dbraw/zinc/37/41/94/572374194.db2.gz GJCKGOGQYROLQL-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccc(C=O)cc1 87131062 572374214 /nfs/dbraw/zinc/37/42/14/572374214.db2.gz YACIBNVLKSUCJO-DTWKUNHWSA-N 0 0 194.230 1.647 10 0 ADAERN CC(=O)[C@H](C(C)C)[C@@H](C)[C@@H](C)O 87131774 572374229 /nfs/dbraw/zinc/37/42/29/572374229.db2.gz VULAAEJSJNYGBE-QXFUBDJGSA-N 0 0 172.268 1.865 10 0 ADAERN CC(C)(C)O[C@H]1CCC[C@H]1O 44227044 572374299 /nfs/dbraw/zinc/37/42/99/572374299.db2.gz KPIIEDPHZWKQHQ-SFYZADRCSA-N 0 0 158.241 1.715 10 0 ADAERN COCCN(CCC(C)C)OC 307996284 572374308 /nfs/dbraw/zinc/37/43/08/572374308.db2.gz WMPHRHQLHUSBQV-UHFFFAOYSA-N 0 0 175.272 1.542 10 0 ADAERN Cc1cc(NC2CSC2)n[nH]1 76597382 572374337 /nfs/dbraw/zinc/37/43/37/572374337.db2.gz ORDJTXVHVCNYOV-UHFFFAOYSA-N 0 0 169.253 1.245 10 0 ADAERN CCC1=CC[C@H](O)C1 141043194 572374344 /nfs/dbraw/zinc/37/43/44/572374344.db2.gz QABFPLXWUGEHJS-ZETCQYMHSA-N 0 0 112.172 1.478 10 0 ADAERN Cc1ccc(C2OCCO2)c(O)c1 44229731 572374346 /nfs/dbraw/zinc/37/43/46/572374346.db2.gz LYNDRGIOOWMJCE-UHFFFAOYSA-N 0 0 180.203 1.746 10 0 ADAERN CC(C)/C=C/C1OCCO1 44229156 572374384 /nfs/dbraw/zinc/37/43/84/572374384.db2.gz HUSNZQWKCZWUEF-ONEGZZNKSA-N 0 0 142.198 1.572 10 0 ADAERN Oc1ccc(F)cc1C1OCCO1 44229777 572374441 /nfs/dbraw/zinc/37/44/41/572374441.db2.gz MZXPHAXEHAKNLP-UHFFFAOYSA-N 0 0 184.166 1.577 10 0 ADAERN CCCC(=O)C[C@@H](C)[C@H](C)O 87131707 572374486 /nfs/dbraw/zinc/37/44/86/572374486.db2.gz MUSOSRZIEIASSB-SFYZADRCSA-N 0 0 158.241 1.763 10 0 ADAERN C[C@H](OCC1CC1)[C@@H](C)O 44231733 572374489 /nfs/dbraw/zinc/37/44/89/572374489.db2.gz FAXQJTZQEJONLO-RQJHMYQMSA-N 0 0 144.214 1.182 10 0 ADAERN Nc1c(Cl)[nH]c2cncnc12 76597126 572374490 /nfs/dbraw/zinc/37/44/90/572374490.db2.gz DEHLQAAUJVZVLN-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN CCCC(=O)C[C@H](C)[C@@H](C)O 87131706 572374500 /nfs/dbraw/zinc/37/45/00/572374500.db2.gz MUSOSRZIEIASSB-JGVFFNPUSA-N 0 0 158.241 1.763 10 0 ADAERN C[C@H](Oc1ccccc1CO)[C@@H](C)O 87131445 572374511 /nfs/dbraw/zinc/37/45/11/572374511.db2.gz CPOYWAMZBLGWJB-BDAKNGLRSA-N 0 0 196.246 1.327 10 0 ADAERN c1cc(N[C@@H]2CCSC2)n[nH]1 76597385 572374520 /nfs/dbraw/zinc/37/45/20/572374520.db2.gz DBFNCYKURAMRGO-ZCFIWIBFSA-N 0 0 169.253 1.327 10 0 ADAERN C[C@H](Oc1ccc(CO)cc1)[C@@H](C)O 87131429 572374535 /nfs/dbraw/zinc/37/45/35/572374535.db2.gz FQTVZHRRFQIJOO-BDAKNGLRSA-N 0 0 196.246 1.327 10 0 ADAERN C[NH2+]CC[C@@H](C)CCC(=O)[O-] 83682158 572374548 /nfs/dbraw/zinc/37/45/48/572374548.db2.gz YYTKAECKYJFSBL-ZETCQYMHSA-N 0 0 159.229 1.097 10 0 ADAERN c1c[nH]c(C2OCCO2)c1 44227754 572374569 /nfs/dbraw/zinc/37/45/69/572374569.db2.gz IQPNPNUASXZTTO-UHFFFAOYSA-N 0 0 139.154 1.060 10 0 ADAERN C[C@H](Oc1ccc(C=O)cc1)[C@@H](C)O 87131065 572374602 /nfs/dbraw/zinc/37/46/02/572374602.db2.gz YACIBNVLKSUCJO-BDAKNGLRSA-N 0 0 194.230 1.647 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1cccc(C=O)c1 87131067 572374608 /nfs/dbraw/zinc/37/46/08/572374608.db2.gz HOYCWYRLUMLGOB-RKDXNWHRSA-N 0 0 194.230 1.647 10 0 ADAERN COc1ccc(F)c(C2OCCO2)c1 44228167 572374660 /nfs/dbraw/zinc/37/46/60/572374660.db2.gz JXOANCUHCNEGLJ-UHFFFAOYSA-N 0 0 198.193 1.880 10 0 ADAERN C[C@H](O)[C@H](C)Oc1ccc(C=O)nc1 87131136 572374696 /nfs/dbraw/zinc/37/46/96/572374696.db2.gz ZQYHYYXZDBEMTR-YUMQZZPRSA-N 0 0 195.218 1.042 10 0 ADAERN Oc1c(F)cccc1C1OCCO1 44227383 572374697 /nfs/dbraw/zinc/37/46/97/572374697.db2.gz KVXCJXOZDFPPIX-UHFFFAOYSA-N 0 0 184.166 1.577 10 0 ADAERN CC[NH2+]CCC(C)(C)CCC(=O)[O-] 83682212 572374710 /nfs/dbraw/zinc/37/47/10/572374710.db2.gz FNZZBOXDYDFGDR-UHFFFAOYSA-N 0 0 187.283 1.877 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1cccc(CO)c1 87131431 572374727 /nfs/dbraw/zinc/37/47/27/572374727.db2.gz BBXNXSMWKZKJOW-RKDXNWHRSA-N 0 0 196.246 1.327 10 0 ADAERN CC[NH2+][C@H](C)CCC[C@H](C)C(=O)[O-] 83682337 572374762 /nfs/dbraw/zinc/37/47/62/572374762.db2.gz UDINHJATALWBHT-DTWKUNHWSA-N 0 0 187.283 1.875 10 0 ADAERN CCO/C=C(\C)C1OCCO1 44228881 572374775 /nfs/dbraw/zinc/37/47/75/572374775.db2.gz FFYLRJMMJNGATL-VOTSOKGWSA-N 0 0 158.197 1.300 10 0 ADAERN O=C(SCCCO)c1ccccc1 238674469 572374799 /nfs/dbraw/zinc/37/47/99/572374799.db2.gz OLHDZRQDCNXYIS-UHFFFAOYSA-N 0 0 196.271 1.942 10 0 ADAERN [S-]C1=[NH+][C@@H](c2cccs2)C=CN1 141039168 572374808 /nfs/dbraw/zinc/37/48/08/572374808.db2.gz JNQUZVDZPCZPRP-ZCFIWIBFSA-N 0 0 196.300 1.781 10 0 ADAERN COc1cc(C2OCCO2)ccc1F 44228374 572374818 /nfs/dbraw/zinc/37/48/18/572374818.db2.gz WHWOEFDTNLIFAJ-UHFFFAOYSA-N 0 0 198.193 1.880 10 0 ADAERN C[NH2+]CCC(C)(C)CCC(=O)[O-] 83682238 572374828 /nfs/dbraw/zinc/37/48/28/572374828.db2.gz WBIOTBGHMUCASV-UHFFFAOYSA-N 0 0 173.256 1.487 10 0 ADAERN CCSC[C@H](O)c1cn(C)cn1 307996051 572374876 /nfs/dbraw/zinc/37/48/76/572374876.db2.gz CBGALGVDZVPEFD-QMMMGPOBSA-N 0 0 186.280 1.207 10 0 ADAERN CS[C@H](C)CC1OCCO1 44227974 572374878 /nfs/dbraw/zinc/37/48/78/572374878.db2.gz SEIPJRYNAHNQEQ-ZCFIWIBFSA-N 0 0 162.254 1.501 10 0 ADAERN CC(=O)O[C@H](/C=C/CCO)C(C)C 238221858 572374891 /nfs/dbraw/zinc/37/48/91/572374891.db2.gz TUNBPRRXXRPFKP-DFVUYQKZSA-N 0 0 186.251 1.513 10 0 ADAERN CC/C=C/C=C/C1OCCO1 44227717 572374892 /nfs/dbraw/zinc/37/48/92/572374892.db2.gz XECXVRVHJMRXOE-VNKDHWASSA-N 0 0 154.209 1.882 10 0 ADAERN Oc1ccc(C2OCCO2)c(O)c1 44227836 572374939 /nfs/dbraw/zinc/37/49/39/572374939.db2.gz FYVDARYNTGPGJX-UHFFFAOYSA-N 0 0 182.175 1.143 10 0 ADAERN C[C@H]1CNc2sccc2N1C 76596789 572374909 /nfs/dbraw/zinc/37/49/09/572374909.db2.gz BJHIZNWQBNLYPC-LURJTMIESA-N 0 0 168.265 1.998 10 0 ADAERN CC(C)CC[C@H]1CCNCC1=O 76597502 572374961 /nfs/dbraw/zinc/37/49/61/572374961.db2.gz BYPSTQXBIQAVLI-VIFPVBQESA-N 0 0 169.268 1.601 10 0 ADAERN C[C@@H]1CNc2sccc2N1C 76596787 572374969 /nfs/dbraw/zinc/37/49/69/572374969.db2.gz BJHIZNWQBNLYPC-ZCFIWIBFSA-N 0 0 168.265 1.998 10 0 ADAERN c1cc2nonc2cc1C1OCCO1 44230935 572374978 /nfs/dbraw/zinc/37/49/78/572374978.db2.gz XBCKCIUPHGSCJN-UHFFFAOYSA-N 0 0 192.174 1.268 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1cccc(C=O)c1 87131066 572374979 /nfs/dbraw/zinc/37/49/79/572374979.db2.gz HOYCWYRLUMLGOB-DTWKUNHWSA-N 0 0 194.230 1.647 10 0 ADAERN CCCCOC(=O)c1cncc(N)n1 238221070 572375032 /nfs/dbraw/zinc/37/50/32/572375032.db2.gz TZKSMCVQSPSJMG-UHFFFAOYSA-N 0 0 195.222 1.016 10 0 ADAERN CC(=O)O[C@@H](C(C)C)C(C)(C)CO 238221729 572375054 /nfs/dbraw/zinc/37/50/54/572375054.db2.gz TYVSPHXOBHSJCR-VIFPVBQESA-N 0 0 188.267 1.593 10 0 ADAERN C[C@H](O)[C@H](C)Oc1ccc(CO)cc1 87131428 572375071 /nfs/dbraw/zinc/37/50/71/572375071.db2.gz FQTVZHRRFQIJOO-IUCAKERBSA-N 0 0 196.246 1.327 10 0 ADAERN CCCCC[C@@H]1C[C@H](N)C(=O)O1 238221521 572375085 /nfs/dbraw/zinc/37/50/85/572375085.db2.gz NNNITRMJIUTFCE-SFYZADRCSA-N 0 0 171.240 1.210 10 0 ADAERN C[C@H](Oc1ccc(C=O)nc1)[C@@H](C)O 87131137 572375099 /nfs/dbraw/zinc/37/50/99/572375099.db2.gz ZQYHYYXZDBEMTR-SFYZADRCSA-N 0 0 195.218 1.042 10 0 ADAERN CCC[C@@H](F)C[C@](C)([NH3+])C(=O)[O-] 238221753 572375104 /nfs/dbraw/zinc/37/51/04/572375104.db2.gz KURZFHYGOZUNOJ-SVRRBLITSA-N 0 0 177.219 1.317 10 0 ADAERN CCC[C@@H](F)[C@H](O)C(=O)OC(C)C 238221866 572375110 /nfs/dbraw/zinc/37/51/10/572375110.db2.gz JZUHPNIXHAALQH-SFYZADRCSA-N 0 0 192.230 1.437 10 0 ADAERN Cc1nc2c(o1)CSCC2=O 76597242 572375118 /nfs/dbraw/zinc/37/51/18/572375118.db2.gz SSMDTHULHIVFOO-UHFFFAOYSA-N 0 0 169.205 1.413 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccccc1CO 87131442 572375134 /nfs/dbraw/zinc/37/51/34/572375134.db2.gz CPOYWAMZBLGWJB-DTWKUNHWSA-N 0 0 196.246 1.327 10 0 ADAERN CCOC[C@H](O)C1(SC)CCC1 308002412 572375158 /nfs/dbraw/zinc/37/51/58/572375158.db2.gz INFPGJSCXUPNAI-QMMMGPOBSA-N 0 0 190.308 1.670 10 0 ADAERN C[C@H](Oc1cccc(CO)c1)[C@@H](C)O 87131433 572375169 /nfs/dbraw/zinc/37/51/69/572375169.db2.gz BBXNXSMWKZKJOW-BDAKNGLRSA-N 0 0 196.246 1.327 10 0 ADAERN CC=C=C(CCCC)[C@H](O)C(=O)OC 238221810 572375183 /nfs/dbraw/zinc/37/51/83/572375183.db2.gz YBXBVTLGVJKYRT-MHPPCMCBSA-N 0 0 198.262 1.812 10 0 ADAERN C[C@@H]1CNc2ccsc2N1C 76596793 572375224 /nfs/dbraw/zinc/37/52/24/572375224.db2.gz CEQRTPXZBIOKNY-ZCFIWIBFSA-N 0 0 168.265 1.998 10 0 ADAERN CN1CCCNc2ccsc21 76596796 572375249 /nfs/dbraw/zinc/37/52/49/572375249.db2.gz DIVAAXUZYLRKNH-UHFFFAOYSA-N 0 0 168.265 2.000 10 0 ADAERN CC/C=C/C[C@H](O)CCOC(C)=O 238222653 572375255 /nfs/dbraw/zinc/37/52/55/572375255.db2.gz WWZCBOHSNDHUER-YEZKRMTDSA-N 0 0 186.251 1.657 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1ccccc1CO 87131443 572375362 /nfs/dbraw/zinc/37/53/62/572375362.db2.gz CPOYWAMZBLGWJB-RKDXNWHRSA-N 0 0 196.246 1.327 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1ccc(CO)cc1 87131427 572375501 /nfs/dbraw/zinc/37/55/01/572375501.db2.gz FQTVZHRRFQIJOO-RKDXNWHRSA-N 0 0 196.246 1.327 10 0 ADAERN CC(C)=C[C@@H](C)OC(=O)[C@H](C)O 308002776 572375533 /nfs/dbraw/zinc/37/55/33/572375533.db2.gz BQXYBIWARQLGDR-SFYZADRCSA-N 0 0 172.224 1.265 10 0 ADAERN CCCC(=O)C[C@H](C)[C@H](C)O 87131708 572375535 /nfs/dbraw/zinc/37/55/35/572375535.db2.gz MUSOSRZIEIASSB-YUMQZZPRSA-N 0 0 158.241 1.763 10 0 ADAERN COC[C@@H](C)NC1(C(F)F)CC1 307996171 572375573 /nfs/dbraw/zinc/37/55/73/572375573.db2.gz WJBPFKTXUKGNQB-ZCFIWIBFSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1ccccc1C=O 87131079 572375578 /nfs/dbraw/zinc/37/55/78/572375578.db2.gz XPWMFENROSLACP-RKDXNWHRSA-N 0 0 194.230 1.647 10 0 ADAERN C[C@H](Oc1ccccc1C=O)[C@@H](C)O 87131081 572375597 /nfs/dbraw/zinc/37/55/97/572375597.db2.gz XPWMFENROSLACP-BDAKNGLRSA-N 0 0 194.230 1.647 10 0 ADAERN COC[C@H](C)NC1(C(F)F)CC1 307995881 572375601 /nfs/dbraw/zinc/37/56/01/572375601.db2.gz WJBPFKTXUKGNQB-LURJTMIESA-N 0 0 179.210 1.409 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccc(CO)cc1 87131426 572375611 /nfs/dbraw/zinc/37/56/11/572375611.db2.gz FQTVZHRRFQIJOO-DTWKUNHWSA-N 0 0 196.246 1.327 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1ccc(C=O)nc1 87131135 572375628 /nfs/dbraw/zinc/37/56/28/572375628.db2.gz ZQYHYYXZDBEMTR-HTQZYQBOSA-N 0 0 195.218 1.042 10 0 ADAERN CC[C@H](C)OCC[C@@H](C)O 44236292 572375663 /nfs/dbraw/zinc/37/56/63/572375663.db2.gz YBQKGKUKSMVPGT-SFYZADRCSA-N 0 0 146.230 1.572 10 0 ADAERN CCSC[C@@H](O)c1cn(C)cn1 307996044 572375718 /nfs/dbraw/zinc/37/57/18/572375718.db2.gz CBGALGVDZVPEFD-MRVPVSSYSA-N 0 0 186.280 1.207 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)C[C@H](C)C2 206988086 572375722 /nfs/dbraw/zinc/37/57/22/572375722.db2.gz YSTOLUMFQVDJMZ-ZCFIWIBFSA-N 0 0 163.220 1.418 10 0 ADAERN CCC[C@@H]1CSCCC(=O)N1 141055932 572376754 /nfs/dbraw/zinc/37/67/54/572376754.db2.gz MQTVXIOKLKWFFY-SSDOTTSWSA-N 0 0 173.281 1.408 10 0 ADAERN Cc1n[nH]c(C)c1NC(=O)OC(C)C 44240521 572375792 /nfs/dbraw/zinc/37/57/92/572375792.db2.gz ASMZFSXLOKRDBK-UHFFFAOYSA-N 0 0 197.238 1.983 10 0 ADAERN CCOC[C@H](O)c1coc(C)n1 307996573 572375802 /nfs/dbraw/zinc/37/58/02/572375802.db2.gz CHSMANVJGMRAGI-QMMMGPOBSA-N 0 0 171.196 1.053 10 0 ADAERN O[C@@H]1Cc2cccc3c2N(CCC3)C1 196771000 572375838 /nfs/dbraw/zinc/37/58/38/572375838.db2.gz CXOVGXHHPLWNEC-LLVKDONJSA-N 0 0 189.258 1.356 10 0 ADAERN C/C=C/C[C@@H](CC)C(=O)NC(N)=O 307996225 572375915 /nfs/dbraw/zinc/37/59/15/572375915.db2.gz XTSJWNDAPASTFI-OHCKJTPYSA-N 0 0 184.239 1.174 10 0 ADAERN CCOC1=CC(=S)N(C)C1 196776138 572375950 /nfs/dbraw/zinc/37/59/50/572375950.db2.gz NSNWAKGQVGGRFU-UHFFFAOYSA-N 0 0 157.238 1.180 10 0 ADAERN CCn1ccnc1C[C@H](C)[C@H](C)O 87142028 572375971 /nfs/dbraw/zinc/37/59/71/572375971.db2.gz QZQIAFQVJKABEB-IUCAKERBSA-N 0 0 182.267 1.462 10 0 ADAERN CCCCC(=O)Cc1cnccn1 238224108 572375987 /nfs/dbraw/zinc/37/59/87/572375987.db2.gz NDPDGDIRXSOBGZ-UHFFFAOYSA-N 0 0 178.235 1.778 10 0 ADAERN CCCCC[C@@](C)(CO)OC 238223956 572376012 /nfs/dbraw/zinc/37/60/12/572376012.db2.gz BMZWERMQPMBMPU-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN C/C=C/C[C@H](CC)C(=O)NC(N)=O 307996224 572376032 /nfs/dbraw/zinc/37/60/32/572376032.db2.gz XTSJWNDAPASTFI-MZTFZBDOSA-N 0 0 184.239 1.174 10 0 ADAERN COC(=O)/C=C/c1[nH]ccc1OC 307995397 572376055 /nfs/dbraw/zinc/37/60/55/572376055.db2.gz AGKJBZRJCKBNBV-ONEGZZNKSA-N 0 0 181.191 1.210 10 0 ADAERN C/C=C\COC(=O)C1=COCC1 308004082 572376763 /nfs/dbraw/zinc/37/67/63/572376763.db2.gz CJJZWLZSVKPLPC-IHWYPQMZSA-N 0 0 168.192 1.410 10 0 ADAERN CCCn1nccc1[C@H](C)[C@@H](C)O 87141872 572376068 /nfs/dbraw/zinc/37/60/68/572376068.db2.gz AHJGQCLXDHVPGV-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN C=C/C=C\CCCNC=O 210439366 572376070 /nfs/dbraw/zinc/37/60/70/572376070.db2.gz FVHLWDXYKBNOPY-ARJAWSKDSA-N 0 0 139.198 1.255 10 0 ADAERN CCCn1ccnc1[C@H](C)[C@H](C)O 87141827 572376085 /nfs/dbraw/zinc/37/60/85/572376085.db2.gz SEZNKPJFXSJFJO-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN CCCCO[C@H](C)[C@@H](C)O 44234901 572376118 /nfs/dbraw/zinc/37/61/18/572376118.db2.gz MONVPAREHNUIAL-HTQZYQBOSA-N 0 0 146.230 1.572 10 0 ADAERN CCCCCC[C@H](O)C1=CCOC1=O 238224079 572376158 /nfs/dbraw/zinc/37/61/58/572376158.db2.gz XDTWSQGCSPJSLU-JTQLQIEISA-N 0 0 198.262 1.801 10 0 ADAERN CCCn1cc([C@H](C)[C@H](C)O)cn1 87142153 572376162 /nfs/dbraw/zinc/37/61/62/572376162.db2.gz YUPXBFJICCJQBD-BDAKNGLRSA-N 0 0 182.267 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/nfs/dbraw/zinc/37/95/23/572379523.db2.gz KSKXDFQOEDXHNB-ZETCQYMHSA-N 0 0 169.228 1.132 10 0 ADAERN CCCCN1O[C@@H]1C(=O)CC 238222812 572379760 /nfs/dbraw/zinc/37/97/60/572379760.db2.gz JFRIAFCNDBXVOH-VEDVMXKPSA-N 0 0 157.213 1.339 10 0 ADAERN Cc1ccc(/C=C\C(N)=O)c(F)c1 44262655 572379878 /nfs/dbraw/zinc/37/98/78/572379878.db2.gz UZDLKKGPQVJBGA-PLNGDYQASA-N 0 0 179.194 1.633 10 0 ADAERN CC(=O)O[C@H](C[C@@H](C)O)C(C)C 214227702 572379813 /nfs/dbraw/zinc/37/98/13/572379813.db2.gz PHDCXJUUCYVQIZ-VXNVDRBHSA-N 0 0 174.240 1.345 10 0 ADAERN CCc1ncnc(C=O)c1Cl 76598409 572379817 /nfs/dbraw/zinc/37/98/17/572379817.db2.gz WZOQEPZBLQDPLC-UHFFFAOYSA-N 0 0 170.599 1.505 10 0 ADAERN Cc1ccc(F)c(/C=C/C(N)=O)c1 44262221 572379826 /nfs/dbraw/zinc/37/98/26/572379826.db2.gz SHTSNSYGBIRTOM-HWKANZROSA-N 0 0 179.194 1.633 10 0 ADAERN C[C@@H]1CC[C@H](CCCC(=O)[O-])[NH2+]1 76598527 572379828 /nfs/dbraw/zinc/37/98/28/572379828.db2.gz LIIGEWGXWQGEHK-SFYZADRCSA-N 0 0 171.240 1.382 10 0 ADAERN CCC(=O)[C@@H](C)[C@H](O)C(F)(F)F 238224315 572379840 /nfs/dbraw/zinc/37/98/40/572379840.db2.gz OPTTWXFBLXUFDB-XINAWCOVSA-N 0 0 184.157 1.525 10 0 ADAERN C[C@H]1[C@@H](CC(=O)[O-])CCC[N@@H+]1C 76598643 572379868 /nfs/dbraw/zinc/37/98/68/572379868.db2.gz CWVPVJXOQOAZNX-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN CCC(CC)[C@@](C)(O)COC 87158480 572379898 /nfs/dbraw/zinc/37/98/98/572379898.db2.gz TWGOKTNKYBOTNP-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN Cc1ccc(/C=C\C(N)=O)cc1F 44260336 572379953 /nfs/dbraw/zinc/37/99/53/572379953.db2.gz VWZSDEHWBGNELB-PLNGDYQASA-N 0 0 179.194 1.633 10 0 ADAERN Cc1ccc(C)c(/C=C/C(N)=O)c1O 44264274 572380014 /nfs/dbraw/zinc/38/00/14/572380014.db2.gz BRKWHSIOGCFWML-AATRIKPKSA-N 0 0 191.230 1.508 10 0 ADAERN CCC(CC)[C@@](C)(O)C(OC)OC 87158922 572380030 /nfs/dbraw/zinc/38/00/30/572380030.db2.gz ZIUPDMKIMREITB-SNVBAGLBSA-N 0 0 190.283 1.793 10 0 ADAERN CCCC[C@H]([NH3+])c1cccnc1CO 238224484 572380061 /nfs/dbraw/zinc/38/00/61/572380061.db2.gz HZKWGBDNIRQBRH-JTQLQIEISA-N 0 0 194.278 1.764 10 0 ADAERN CCC(CC)C(=O)O[C@@H](C)CO 238223183 572380092 /nfs/dbraw/zinc/38/00/92/572380092.db2.gz IWACJZZVTDZYME-ZETCQYMHSA-N 0 0 174.240 1.347 10 0 ADAERN CCC(CC)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1 87156660 572380127 /nfs/dbraw/zinc/38/01/27/572380127.db2.gz VQJWJRIQZRAEIZ-SCZZXKLOSA-N 0 0 197.278 1.794 10 0 ADAERN CC(C)[C@]1(C)CC[C@@H](C(=O)[O-])[NH2+]1 76598648 572380175 /nfs/dbraw/zinc/38/01/75/572380175.db2.gz BJPVPTQBXKYCHR-CBAPKCEASA-N 0 0 171.240 1.238 10 0 ADAERN CC1(C)CC[C@@H](CCC(=O)[O-])[NH2+]1 76598525 572380191 /nfs/dbraw/zinc/38/01/91/572380191.db2.gz HNGYAXWOIBVOIO-SSDOTTSWSA-N 0 0 171.240 1.382 10 0 ADAERN C[C@H]([C@@H]([NH3+])CC(=O)[O-])[C@H](C)C1CC1 308004828 572380263 /nfs/dbraw/zinc/38/02/63/572380263.db2.gz AZIJBTPMFDDRIK-ZKWXMUAHSA-N 0 0 185.267 1.471 10 0 ADAERN CC(C)c1ncc(/C=C\C(N)=O)cn1 44279087 572380337 /nfs/dbraw/zinc/38/03/37/572380337.db2.gz IFNMZBSYJDLXJV-ARJAWSKDSA-N 0 0 191.234 1.099 10 0 ADAERN Cc1c(F)ccc(/C=C\C(N)=O)c1F 44261508 572380351 /nfs/dbraw/zinc/38/03/51/572380351.db2.gz YWBWRKKKEZRULU-HYXAFXHYSA-N 0 0 197.184 1.772 10 0 ADAERN Cc1cc(/C=C\C(N)=O)sc1C 44261792 572380375 /nfs/dbraw/zinc/38/03/75/572380375.db2.gz PSLRHHOFBACGHW-ARJAWSKDSA-N 0 0 181.260 1.863 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@@H](C)[C@@H](C)[NH3+] 238223204 572380390 /nfs/dbraw/zinc/38/03/90/572380390.db2.gz OBOCATXSVCZCSV-XLPZGREQSA-N 0 0 173.256 1.327 10 0 ADAERN CCCCC(=O)CCC(N)=O 238223095 572380421 /nfs/dbraw/zinc/38/04/21/572380421.db2.gz CVRRNDDREUSMKT-UHFFFAOYSA-N 0 0 157.213 1.011 10 0 ADAERN C=C/C=C/CC[N@H+](C)CCCC(=O)[O-] 713698537 572380424 /nfs/dbraw/zinc/38/04/24/572380424.db2.gz ATZDEGJGUPWGHG-SNAWJCMRSA-N 0 0 197.278 1.915 10 0 ADAERN Cc1ccc(Cc2noc(N)n2)cc1 52708790 572380432 /nfs/dbraw/zinc/38/04/32/572380432.db2.gz VMKOBAPHEXRYEP-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN CC(C)[C@]1(C)CC[C@H](C(=O)[O-])[NH2+]1 76598644 572380444 /nfs/dbraw/zinc/38/04/44/572380444.db2.gz BJPVPTQBXKYCHR-APPZFPTMSA-N 0 0 171.240 1.238 10 0 ADAERN C=C=CCC[C@H](O)CCCO 238676042 572380465 /nfs/dbraw/zinc/38/04/65/572380465.db2.gz NBSDEYXMWNVYCC-VIFPVBQESA-N 0 0 156.225 1.241 10 0 ADAERN CCCCN1O[C@H]1C(=O)CC 238222821 572380493 /nfs/dbraw/zinc/38/04/93/572380493.db2.gz JFRIAFCNDBXVOH-IENPIDJESA-N 0 0 157.213 1.339 10 0 ADAERN CON(CC(C)C)C(=O)C(F)F 308001126 572380538 /nfs/dbraw/zinc/38/05/38/572380538.db2.gz HJAUGKJNTRHSSM-UHFFFAOYSA-N 0 0 181.182 1.298 10 0 ADAERN Cc1cc(O)ccc1/C=C/C(N)=O 44261118 572380554 /nfs/dbraw/zinc/38/05/54/572380554.db2.gz WTUFEQXEWBSVGD-HWKANZROSA-N 0 0 177.203 1.199 10 0 ADAERN C[C@H]1CC[C@@H](CC(=O)[O-])C[N@@H+]1C 76598636 572380555 /nfs/dbraw/zinc/38/05/55/572380555.db2.gz WTVZXILZKWBRJD-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CCC(CC)[NH2+][C@H]1C=C[C@H](C(=O)[O-])C1 87156664 572380582 /nfs/dbraw/zinc/38/05/82/572380582.db2.gz VQJWJRIQZRAEIZ-WPRPVWTQSA-N 0 0 197.278 1.794 10 0 ADAERN CC(C)c1cnn(CC2(O)CCC2)c1 687825525 572380603 /nfs/dbraw/zinc/38/06/03/572380603.db2.gz QQRSJLWLFBVSMH-UHFFFAOYSA-N 0 0 194.278 1.922 10 0 ADAERN Cc1cc(/C=C\C(N)=O)oc1C 44259280 572380668 /nfs/dbraw/zinc/38/06/68/572380668.db2.gz JPBJKRCNAYALNG-ARJAWSKDSA-N 0 0 165.192 1.395 10 0 ADAERN Cc1cc(F)cc(C)c1/C=C/C(N)=O 44261049 572380679 /nfs/dbraw/zinc/38/06/79/572380679.db2.gz AEBFQYYTRUSRJB-ONEGZZNKSA-N 0 0 193.221 1.941 10 0 ADAERN C[C@H]1NC(=O)[C@@H]1Cc1ccccc1 44256852 572380738 /nfs/dbraw/zinc/38/07/38/572380738.db2.gz NGNFZPWFHOSSGY-PSASIEDQSA-N 0 0 175.231 1.364 10 0 ADAERN C[C@@H]1[C@@H](CC(=O)[O-])CCC[N@@H+]1C 76598641 572380744 /nfs/dbraw/zinc/38/07/44/572380744.db2.gz CWVPVJXOQOAZNX-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN CCC(CC)SC[C@H]([NH3+])C(=O)[O-] 87157476 572380748 /nfs/dbraw/zinc/38/07/48/572380748.db2.gz UIDHKASRWUVCLY-ZETCQYMHSA-N 0 0 191.296 1.320 10 0 ADAERN CC[C@H](C)S[C@@H](C)C(=O)N(C)C 308005324 572380788 /nfs/dbraw/zinc/38/07/88/572380788.db2.gz CXKSULQJDIRNFI-YUMQZZPRSA-N 0 0 189.324 1.995 10 0 ADAERN Cc1cc(F)ccc1/C=C\C(N)=O 44260591 572380810 /nfs/dbraw/zinc/38/08/10/572380810.db2.gz VVBKFZLBCFYTKY-HYXAFXHYSA-N 0 0 179.194 1.633 10 0 ADAERN C[N@@H+]1CCCC[C@@H](CC(=O)[O-])C1 76598628 572380826 /nfs/dbraw/zinc/38/08/26/572380826.db2.gz YPFAOPHCEKWLEK-QMMMGPOBSA-N 0 0 171.240 1.193 10 0 ADAERN CO[C@H](C)c1nc(CCO)cs1 308005157 572380829 /nfs/dbraw/zinc/38/08/29/572380829.db2.gz KUTMBPPUQZFCFH-ZCFIWIBFSA-N 0 0 187.264 1.385 10 0 ADAERN CCC(=O)[C@@H](C)COC(C)=O 238223110 572380837 /nfs/dbraw/zinc/38/08/37/572380837.db2.gz ZIZJFXZEVIUSHA-LURJTMIESA-N 0 0 158.197 1.165 10 0 ADAERN Cc1cc(C)c(/C=C/C(N)=O)c(O)c1 44264358 572380843 /nfs/dbraw/zinc/38/08/43/572380843.db2.gz FREAOMQBLPBYGS-ONEGZZNKSA-N 0 0 191.230 1.508 10 0 ADAERN COC[C@@H](O)[C@H]1CC1(C)C 234701639 572380900 /nfs/dbraw/zinc/38/09/00/572380900.db2.gz LZHZCSCJGBZCLK-RNFRBKRXSA-N 0 0 144.214 1.040 10 0 ADAERN CCCCCC[C@H](O)CNO 238224489 572380956 /nfs/dbraw/zinc/38/09/56/572380956.db2.gz ZHSMEUZFUGRTOM-QMMMGPOBSA-N 0 0 161.245 1.297 10 0 ADAERN C[C@H]1C[C@]1(CC[NH+](C)C)C(=O)[O-] 76598667 572380968 /nfs/dbraw/zinc/38/09/68/572380968.db2.gz NHZXOSBVXIXCDO-CBAPKCEASA-N 0 0 171.240 1.049 10 0 ADAERN CCC(=O)[C@@H](C)[C@H](O)Cc1ccoc1 238224341 572381007 /nfs/dbraw/zinc/38/10/07/572381007.db2.gz LILJHQLTGVAVRO-LDYMZIIASA-N 0 0 196.246 1.798 10 0 ADAERN CCC(CC)[NH2+][C@@H]1C=C[C@@H](C(=O)[O-])C1 87156662 572381018 /nfs/dbraw/zinc/38/10/18/572381018.db2.gz VQJWJRIQZRAEIZ-PSASIEDQSA-N 0 0 197.278 1.794 10 0 ADAERN CCC(CC)C(=O)O[C@H](C)CO 238223202 572381039 /nfs/dbraw/zinc/38/10/39/572381039.db2.gz IWACJZZVTDZYME-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN C[C@H]1CC[N@H+](C)C[C@H](C(=O)[O-])C1 76598693 572381106 /nfs/dbraw/zinc/38/11/06/572381106.db2.gz ROBALWAWCMMWPH-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN COC[C@@H](O)c1ccc(OC)cc1C 83696529 572381163 /nfs/dbraw/zinc/38/11/63/572381163.db2.gz VAUIJSXMZXTWDK-LLVKDONJSA-N 0 0 196.246 1.683 10 0 ADAERN CCCCC[C@@](C)(O)[C@@H](C)O 238224273 572381174 /nfs/dbraw/zinc/38/11/74/572381174.db2.gz ZPGRVWUXSQESKK-RKDXNWHRSA-N 0 0 160.257 1.699 10 0 ADAERN CCC[C@H](CCC(C)=O)C(N)=O 238224360 572381214 /nfs/dbraw/zinc/38/12/14/572381214.db2.gz TXKLCDWTUGCQFD-MRVPVSSYSA-N 0 0 171.240 1.257 10 0 ADAERN CCC[C@H](CC)[C@H]1NC(=O)NC1=O 238223075 572381219 /nfs/dbraw/zinc/38/12/19/572381219.db2.gz AANZQZTUJJMRSA-NKWVEPMBSA-N 0 0 184.239 1.021 10 0 ADAERN CCCCCC[C@H](O)CC(=O)CO 238224216 572381276 /nfs/dbraw/zinc/38/12/76/572381276.db2.gz RZDSZJKTYJZNMJ-VIFPVBQESA-N 0 0 188.267 1.269 10 0 ADAERN C=C/C=C\CC[N@H+](C)CCCC(=O)[O-] 713698534 572381277 /nfs/dbraw/zinc/38/12/77/572381277.db2.gz ATZDEGJGUPWGHG-PLNGDYQASA-N 0 0 197.278 1.915 10 0 ADAERN C[C@H]1CC[C@H](CCCC(=O)[O-])[NH2+]1 76598529 572381283 /nfs/dbraw/zinc/38/12/83/572381283.db2.gz LIIGEWGXWQGEHK-YUMQZZPRSA-N 0 0 171.240 1.382 10 0 ADAERN Cc1cc(O)cc(C)c1/C=C\C(N)=O 44258879 572381313 /nfs/dbraw/zinc/38/13/13/572381313.db2.gz YUYUGKPVPWLCIV-ARJAWSKDSA-N 0 0 191.230 1.508 10 0 ADAERN Cc1cnn(Cc2cccnc2N)c1 52733527 572383552 /nfs/dbraw/zinc/38/35/52/572383552.db2.gz WGCPFFGPPNBYGH-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN C[C@@H]1NC(=O)[C@H]1Cc1ccccc1 44256848 572381369 /nfs/dbraw/zinc/38/13/69/572381369.db2.gz NGNFZPWFHOSSGY-WPRPVWTQSA-N 0 0 175.231 1.364 10 0 ADAERN CN(C)c1ccc(/C=C/C(N)=O)s1 44278569 572381402 /nfs/dbraw/zinc/38/14/02/572381402.db2.gz MNBQZALJSFMJNO-HWKANZROSA-N 0 0 196.275 1.313 10 0 ADAERN CCCCCC[C@H](O)CNC(C)=O 238224450 572381406 /nfs/dbraw/zinc/38/14/06/572381406.db2.gz IRPFWGMRVLGUQN-JTQLQIEISA-N 0 0 187.283 1.454 10 0 ADAERN CCC(=O)[C@@H](C)[C@H](C)C(=O)OC 238224208 572381452 /nfs/dbraw/zinc/38/14/52/572381452.db2.gz FNXNSBWFPQMQRV-BQBZGAKWSA-N 0 0 172.224 1.411 10 0 ADAERN CCC(CC)[C@@]1(C(=O)[O-])CC[NH2+]C1 87158254 572381453 /nfs/dbraw/zinc/38/14/53/572381453.db2.gz UJOUFLXIDLJFJY-SNVBAGLBSA-N 0 0 185.267 1.487 10 0 ADAERN CCC(CC)[C@@H](C(C)=O)C(=O)OC 87157169 572381458 /nfs/dbraw/zinc/38/14/58/572381458.db2.gz CVMCAVGFDIRZGQ-SECBINFHSA-N 0 0 186.251 1.801 10 0 ADAERN CC(=O)CC(=O)O[C@@H](C)C(C)C 238222890 572381534 /nfs/dbraw/zinc/38/15/34/572381534.db2.gz ZGYPOELAEZNTDC-QMMMGPOBSA-N 0 0 172.224 1.553 10 0 ADAERN C[C@H]1NC(=O)[C@H]1Cc1ccccc1 44256844 572381587 /nfs/dbraw/zinc/38/15/87/572381587.db2.gz NGNFZPWFHOSSGY-SCZZXKLOSA-N 0 0 175.231 1.364 10 0 ADAERN Cc1cccc(/C=C\C(N)=O)c1O 44261950 572381594 /nfs/dbraw/zinc/38/15/94/572381594.db2.gz OYVHLESMVFQHBH-WAYWQWQTSA-N 0 0 177.203 1.199 10 0 ADAERN N[C@@H]1C(=O)Nc2cc3ccccc3cc21 238677266 572381663 /nfs/dbraw/zinc/38/16/63/572381663.db2.gz YHGXWVYAXPFCLO-NSHDSACASA-N 0 0 198.225 1.792 10 0 ADAERN O[C@H]1CC[C@H]2CC=C[C@H]2C1 196779079 572381679 /nfs/dbraw/zinc/38/16/79/572381679.db2.gz OXYJCYWOPPRFDS-VGMNWLOBSA-N 0 0 138.210 1.724 10 0 ADAERN CC[C@@H](C)S[C@@H](C)C(=O)N(C)C 308005323 572381701 /nfs/dbraw/zinc/38/17/01/572381701.db2.gz CXKSULQJDIRNFI-SFYZADRCSA-N 0 0 189.324 1.995 10 0 ADAERN COC(=O)[C@H](C)CSCC(C)=O 308001483 572384319 /nfs/dbraw/zinc/38/43/19/572384319.db2.gz ZTBBQEWKZXCNJQ-ZCFIWIBFSA-N 0 0 190.264 1.118 10 0 ADAERN CC(C)(CO)Cn1cc(C2CC2)cn1 687825501 572381736 /nfs/dbraw/zinc/38/17/36/572381736.db2.gz FJGZUZQYEJBARA-UHFFFAOYSA-N 0 0 194.278 1.779 10 0 ADAERN CCC[C@@H](O)c1ncnn1CC 308005132 572381752 /nfs/dbraw/zinc/38/17/52/572381752.db2.gz KSKXDFQOEDXHNB-SSDOTTSWSA-N 0 0 169.228 1.132 10 0 ADAERN CC[C@@H](C)S[C@H](C)C(=O)N(C)C 308005321 572381765 /nfs/dbraw/zinc/38/17/65/572381765.db2.gz CXKSULQJDIRNFI-HTQZYQBOSA-N 0 0 189.324 1.995 10 0 ADAERN CCC(=O)[C@@H](C)[C@H](C)NC(=O)OC 238224259 572381847 /nfs/dbraw/zinc/38/18/47/572381847.db2.gz FFCHNBMHSUSFRZ-BQBZGAKWSA-N 0 0 187.239 1.346 10 0 ADAERN CCC(=O)N(OC)C1CCCC1 308004951 572381869 /nfs/dbraw/zinc/38/18/69/572381869.db2.gz CUSSRNQCPKCPHS-UHFFFAOYSA-N 0 0 171.240 1.729 10 0 ADAERN C[C@@H](NCC(F)(F)F)C(C)(C)O 83724606 572381902 /nfs/dbraw/zinc/38/19/02/572381902.db2.gz CBJQCJZXRWCQJA-RXMQYKEDSA-N 0 0 185.189 1.298 10 0 ADAERN CCCOCc1noc(CC)n1 308004977 572381913 /nfs/dbraw/zinc/38/19/13/572381913.db2.gz CVFDYAGJODWPHZ-UHFFFAOYSA-N 0 0 170.212 1.559 10 0 ADAERN COC[C@H](O)c1ccc(OC)cc1C 83696531 572382050 /nfs/dbraw/zinc/38/20/50/572382050.db2.gz VAUIJSXMZXTWDK-NSHDSACASA-N 0 0 196.246 1.683 10 0 ADAERN CCOC(=O)[C@@H]1CCC(=O)[C@H](F)C1 207602953 572382060 /nfs/dbraw/zinc/38/20/60/572382060.db2.gz UNBKJAYBXIHEBK-RNFRBKRXSA-N 0 0 188.198 1.257 10 0 ADAERN CC(C)[C@]1(Cl)SCC1=O 196777701 572382094 /nfs/dbraw/zinc/38/20/94/572382094.db2.gz VPDDETUBXKQGFO-LURJTMIESA-N 0 0 164.657 1.893 10 0 ADAERN C[C@@H]1CC[N@H+](C)C[C@H](C(=O)[O-])C1 76598691 572382109 /nfs/dbraw/zinc/38/21/09/572382109.db2.gz ROBALWAWCMMWPH-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1cc(/C=C/C(N)=O)cc(C)c1O 44258590 572382125 /nfs/dbraw/zinc/38/21/25/572382125.db2.gz KMOQNQREUGZCEF-ONEGZZNKSA-N 0 0 191.230 1.508 10 0 ADAERN Cc1cc(/C=C\C(N)=O)cc(C)c1F 44262758 572382157 /nfs/dbraw/zinc/38/21/57/572382157.db2.gz ORPITHOPQCYEIH-ARJAWSKDSA-N 0 0 193.221 1.941 10 0 ADAERN Cc1[nH]c(=S)n(C)c(=O)c1C(C)C 238223029 572382328 /nfs/dbraw/zinc/38/23/28/572382328.db2.gz ZRPMLNSZSVUBJM-UHFFFAOYSA-N 0 0 198.291 1.875 10 0 ADAERN C[N@@H+]1CCCC[C@H](CC(=O)[O-])C1 76598626 572382215 /nfs/dbraw/zinc/38/22/15/572382215.db2.gz YPFAOPHCEKWLEK-MRVPVSSYSA-N 0 0 171.240 1.193 10 0 ADAERN CCCCCC[C@H](O)COC=O 238224503 572382271 /nfs/dbraw/zinc/38/22/71/572382271.db2.gz AKQCBUFSZWLYNJ-VIFPVBQESA-N 0 0 174.240 1.491 10 0 ADAERN CCC(CC)[C@@H](O)c1ccncn1 87158668 572382283 /nfs/dbraw/zinc/38/22/83/572382283.db2.gz DYMSAKODEFHSHQ-SNVBAGLBSA-N 0 0 180.251 1.946 10 0 ADAERN CCC[C@H](CCC(C)=O)NC(C)=O 238224392 572382284 /nfs/dbraw/zinc/38/22/84/572382284.db2.gz SSYNHRDJWYGAJK-SNVBAGLBSA-N 0 0 185.267 1.660 10 0 ADAERN C[C@@H]1CC[C@H](CC(=O)[O-])C[N@@H+]1C 76598631 572382301 /nfs/dbraw/zinc/38/23/01/572382301.db2.gz WTVZXILZKWBRJD-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN CCc1cnn(CC2(O)CCC2)c1 687825524 572382304 /nfs/dbraw/zinc/38/23/04/572382304.db2.gz QNKUPTUUNFJMMK-UHFFFAOYSA-N 0 0 180.251 1.361 10 0 ADAERN Cc1ccc(O)c(/C=C/C(N)=O)c1 44262077 572382312 /nfs/dbraw/zinc/38/23/12/572382312.db2.gz BLRDHCNXWLSUBS-HWKANZROSA-N 0 0 177.203 1.199 10 0 ADAERN COC[C@@H](O)[C@@H]1CC1(C)C 234701032 572382350 /nfs/dbraw/zinc/38/23/50/572382350.db2.gz LZHZCSCJGBZCLK-NKWVEPMBSA-N 0 0 144.214 1.040 10 0 ADAERN O[C@@H]1CC[C@H]2CC=C[C@H]2C1 196779084 572382374 /nfs/dbraw/zinc/38/23/74/572382374.db2.gz OXYJCYWOPPRFDS-HRDYMLBCSA-N 0 0 138.210 1.724 10 0 ADAERN Cc1cc(F)cc(/C=C/C(N)=O)c1O 44261149 572382377 /nfs/dbraw/zinc/38/23/77/572382377.db2.gz RTDTYIVZFRBGQI-NSCUHMNNSA-N 0 0 195.193 1.338 10 0 ADAERN C[C@H]1CC[C@H](CC(=O)[O-])C[N@@H+]1C 76598632 572382395 /nfs/dbraw/zinc/38/23/95/572382395.db2.gz WTVZXILZKWBRJD-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1ccc(/C=C/C(N)=O)c(F)c1F 44260348 572382411 /nfs/dbraw/zinc/38/24/11/572382411.db2.gz VXWGIKDIWIKKQI-SNAWJCMRSA-N 0 0 197.184 1.772 10 0 ADAERN CCOC(=O)[C@H]1CCC(=O)[C@@H](F)C1 207603036 572382413 /nfs/dbraw/zinc/38/24/13/572382413.db2.gz UNBKJAYBXIHEBK-BQBZGAKWSA-N 0 0 188.198 1.257 10 0 ADAERN Cc1cccc(C)c1/C=C/C(N)=O 44259365 572382437 /nfs/dbraw/zinc/38/24/37/572382437.db2.gz VQDYMCPNPLHSKB-VOTSOKGWSA-N 0 0 175.231 1.802 10 0 ADAERN COC[C@H](C)C(=O)OCC(C)C 308002040 572382439 /nfs/dbraw/zinc/38/24/39/572382439.db2.gz AMQCGZLTJXKBHA-QMMMGPOBSA-N 0 0 174.240 1.468 10 0 ADAERN CCC(CC)[C@](C)(O)C(OC)OC 87158920 572382454 /nfs/dbraw/zinc/38/24/54/572382454.db2.gz ZIUPDMKIMREITB-JTQLQIEISA-N 0 0 190.283 1.793 10 0 ADAERN CCC(CC)[C@H](O)c1ccncn1 87158666 572382467 /nfs/dbraw/zinc/38/24/67/572382467.db2.gz DYMSAKODEFHSHQ-JTQLQIEISA-N 0 0 180.251 1.946 10 0 ADAERN CC[C@H](C)C[C@H](O)[C@@H]1COCCO1 83742165 572384426 /nfs/dbraw/zinc/38/44/26/572384426.db2.gz KDDSIGFZEAUUOP-GUBZILKMSA-N 0 0 188.267 1.199 10 0 ADAERN CCC(CC)[C@@H](O)C(OC)OC 87158907 572382506 /nfs/dbraw/zinc/38/25/06/572382506.db2.gz XNRXIGNGXHBJNW-MRVPVSSYSA-N 0 0 176.256 1.402 10 0 ADAERN C[C@@H]1CC[C@@H](CC(=O)[O-])C[N@@H+]1C 76598634 572382519 /nfs/dbraw/zinc/38/25/19/572382519.db2.gz WTVZXILZKWBRJD-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN COC[C@@H](C)N(C)c1ncns1 308001411 572382537 /nfs/dbraw/zinc/38/25/37/572382537.db2.gz ZQCXTWDBHHUGKD-ZCFIWIBFSA-N 0 0 187.268 1.009 10 0 ADAERN CCc1cnn(CC(C)(C)CO)c1 687825515 572382591 /nfs/dbraw/zinc/38/25/91/572382591.db2.gz ONVQMZKDJRMFJT-UHFFFAOYSA-N 0 0 182.267 1.464 10 0 ADAERN COC(=O)CN[C@@H]1CC(C)(C)C[C@@H]1C 234539866 572384430 /nfs/dbraw/zinc/38/44/30/572384430.db2.gz RDAHRVSLSFIRBA-DTWKUNHWSA-N 0 0 199.294 1.574 10 0 ADAERN CCN(CC)/C(C)=C/C(=S)NC 238223072 572382666 /nfs/dbraw/zinc/38/26/66/572382666.db2.gz YNDSCAIYSUUPCD-BQYQJAHWSA-N 0 0 186.324 1.779 10 0 ADAERN OCCCCOCC(F)(F)F 60701462 572382673 /nfs/dbraw/zinc/38/26/73/572382673.db2.gz PXQARTDFOFLIKG-UHFFFAOYSA-N 0 0 172.146 1.338 10 0 ADAERN Cc1cc(C)c(/C=C/C(N)=O)[nH]1 44259328 572382676 /nfs/dbraw/zinc/38/26/76/572382676.db2.gz APDJKVYLWZYPRY-ONEGZZNKSA-N 0 0 164.208 1.130 10 0 ADAERN Cc1cc(/C=C\C(N)=O)ccc1O 44261911 572382695 /nfs/dbraw/zinc/38/26/95/572382695.db2.gz KAVOMAOVGQCDLY-HYXAFXHYSA-N 0 0 177.203 1.199 10 0 ADAERN Cc1ccc(/C=C\C(N)=O)cc1C 44258839 572382696 /nfs/dbraw/zinc/38/26/96/572382696.db2.gz RROARYAGUZROPL-WAYWQWQTSA-N 0 0 175.231 1.802 10 0 ADAERN CCCn1nncc1NCCF 308001474 572382713 /nfs/dbraw/zinc/38/27/13/572382713.db2.gz HSKCQQQDWZNSLX-UHFFFAOYSA-N 0 0 172.207 1.070 10 0 ADAERN C[C@H]1C[C@@]1(CC[NH+](C)C)C(=O)[O-] 76598663 572382759 /nfs/dbraw/zinc/38/27/59/572382759.db2.gz NHZXOSBVXIXCDO-IONNQARKSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@H](/C=C/C(N)=O)c1ccccc1 44258611 572382830 /nfs/dbraw/zinc/38/28/30/572382830.db2.gz ZMFCPNRCUXDONJ-FCZSHJHJSA-N 0 0 175.231 1.832 10 0 ADAERN CCC(CC)SC[C@@H]([NH3+])C(=O)[O-] 87157477 572382890 /nfs/dbraw/zinc/38/28/90/572382890.db2.gz UIDHKASRWUVCLY-SSDOTTSWSA-N 0 0 191.296 1.320 10 0 ADAERN C=COCCc1cccc(CCO)c1 238683178 572382895 /nfs/dbraw/zinc/38/28/95/572382895.db2.gz DNWXZXCKXYEMAI-UHFFFAOYSA-N 0 0 192.258 1.924 10 0 ADAERN CCCC(=O)C(=O)NC1CCCCC1 238224625 572382905 /nfs/dbraw/zinc/38/29/05/572382905.db2.gz NQOHZOHBZJYLOS-UHFFFAOYSA-N 0 0 197.278 1.805 10 0 ADAERN Nc1c(F)cccc1NCCCCO 236341244 572382913 /nfs/dbraw/zinc/38/29/13/572382913.db2.gz UZLQQZROGJOGMD-UHFFFAOYSA-N 0 0 198.241 1.592 10 0 ADAERN C=COCCc1ccc(CCO)cc1 238682630 572382929 /nfs/dbraw/zinc/38/29/29/572382929.db2.gz ZPIKOXPNIVNWGI-UHFFFAOYSA-N 0 0 192.258 1.924 10 0 ADAERN CCC(CC)n1ncnc1CO 87173947 572384120 /nfs/dbraw/zinc/38/41/20/572384120.db2.gz JEYPDBHXLUTGNQ-UHFFFAOYSA-N 0 0 169.228 1.132 10 0 ADAERN C[C@H](NCC(F)(F)F)C(C)(C)O 83724602 572382934 /nfs/dbraw/zinc/38/29/34/572382934.db2.gz CBJQCJZXRWCQJA-YFKPBYRVSA-N 0 0 185.189 1.298 10 0 ADAERN O=Cc1c(Cl)[n-]c2cnoc12 76598406 572382860 /nfs/dbraw/zinc/38/28/60/572382860.db2.gz VMASADOGQGTAAD-UHFFFAOYSA-N 0 0 170.555 1.622 10 0 ADAERN CC/C=C(/CO)[C@H](O)CCCC 308001364 572382865 /nfs/dbraw/zinc/38/28/65/572382865.db2.gz HPFQNCJJVZDLHQ-ABRRARGCSA-N 0 0 172.268 1.866 10 0 ADAERN CCCCCC[C@H](O)CN(C)O 238224425 572382994 /nfs/dbraw/zinc/38/29/94/572382994.db2.gz CWBWHRBSUKGOLQ-VIFPVBQESA-N 0 0 175.272 1.639 10 0 ADAERN CC/C=C(\CO)[C@@H](O)CCCC 308001376 572383042 /nfs/dbraw/zinc/38/30/42/572383042.db2.gz HPFQNCJJVZDLHQ-ZKXNXJMVSA-N 0 0 172.268 1.866 10 0 ADAERN CC/C=C(/CO)[C@@H](O)CCCC 308001368 572383052 /nfs/dbraw/zinc/38/30/52/572383052.db2.gz HPFQNCJJVZDLHQ-MBACFSSFSA-N 0 0 172.268 1.866 10 0 ADAERN O[C@@H](CF)COc1ccc(F)cc1 238678394 572383061 /nfs/dbraw/zinc/38/30/61/572383061.db2.gz JBYRCBCMNWWWSJ-QMMMGPOBSA-N 0 0 188.173 1.535 10 0 ADAERN CCC(=O)[C@@H](C)SC[C@@H](C)O 238223723 572385087 /nfs/dbraw/zinc/38/50/87/572385087.db2.gz GMAGSTZBFJBWEC-RNFRBKRXSA-N 0 0 176.281 1.468 10 0 ADAERN OCCC[C@H]1C[C@@]1(O)c1ccccc1 238682640 572383241 /nfs/dbraw/zinc/38/32/41/572383241.db2.gz OEUZYKGJLRUBBP-NWDGAFQWSA-N 0 0 192.258 1.667 10 0 ADAERN CC[C@@H](O)Cn1ccnc1SC 308001578 572383262 /nfs/dbraw/zinc/38/32/62/572383262.db2.gz ZWXJBFGKJYYJDD-SSDOTTSWSA-N 0 0 186.280 1.376 10 0 ADAERN O=Cc1ccc(OC[C@@H](O)CF)cc1 238678366 572383266 /nfs/dbraw/zinc/38/32/66/572383266.db2.gz MZSFRPWUBZCEEE-VIFPVBQESA-N 0 0 198.193 1.208 10 0 ADAERN COC[C@H](C)N(C)c1ncns1 308001410 572383303 /nfs/dbraw/zinc/38/33/03/572383303.db2.gz ZQCXTWDBHHUGKD-LURJTMIESA-N 0 0 187.268 1.009 10 0 ADAERN OCCC[C@@H]1C[C@@]1(O)c1ccccc1 238678419 572383363 /nfs/dbraw/zinc/38/33/63/572383363.db2.gz OEUZYKGJLRUBBP-VXGBXAGGSA-N 0 0 192.258 1.667 10 0 ADAERN CCCC[C@H](O)c1c[nH]nc1N 83747353 572385319 /nfs/dbraw/zinc/38/53/19/572385319.db2.gz CAGWBVOGXWJFDN-ZETCQYMHSA-N 0 0 169.228 1.216 10 0 ADAERN OCCc1ccc([C@H](O)C2CC2)cc1 238686337 572386451 /nfs/dbraw/zinc/38/64/51/572386451.db2.gz JKPWCFIFEWKLHJ-LBPRGKRZSA-N 0 0 192.258 1.665 10 0 ADAERN CCCCC[C@H](O)[C@@H]1COCCO1 83741934 572383435 /nfs/dbraw/zinc/38/34/35/572383435.db2.gz YQRMNUUUPOXCAQ-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN OCCC[C@@H]1N=C1c1ccccc1 238678567 572383458 /nfs/dbraw/zinc/38/34/58/572383458.db2.gz CHXANHFWVSRLPQ-JTQLQIEISA-N 0 0 175.231 1.630 10 0 ADAERN OCCC[C@H](CO)c1ccc(F)cc1 238680269 572383467 /nfs/dbraw/zinc/38/34/67/572383467.db2.gz PNWBHFVPLJZBFP-SNVBAGLBSA-N 0 0 198.237 1.674 10 0 ADAERN CCCCC[C@@]1(NC)C[C@@H](C)OC1=O 238225230 572383484 /nfs/dbraw/zinc/38/34/84/572383484.db2.gz OBFYTYSHLPWNIP-MWLCHTKSSA-N 0 0 199.294 1.860 10 0 ADAERN COC(=O)[C@@H](C)CSCC(C)=O 308001482 572383496 /nfs/dbraw/zinc/38/34/96/572383496.db2.gz ZTBBQEWKZXCNJQ-LURJTMIESA-N 0 0 190.264 1.118 10 0 ADAERN CC(C)c1nnnn1CCCF 308001793 572383529 /nfs/dbraw/zinc/38/35/29/572383529.db2.gz BGXDDOHFRHSAJF-UHFFFAOYSA-N 0 0 172.207 1.156 10 0 ADAERN CCCCC[C@@H](O)c1cnn(C)c1N 83747174 572383542 /nfs/dbraw/zinc/38/35/42/572383542.db2.gz NOTANMZDMQWCCH-SECBINFHSA-N 0 0 197.282 1.616 10 0 ADAERN CC(C)COCc1cccnc1N 52754967 572383561 /nfs/dbraw/zinc/38/35/61/572383561.db2.gz HOAQZBXGCTUEFF-UHFFFAOYSA-N 0 0 180.251 1.836 10 0 ADAERN CC[C@H](O)Cn1ccnc1SC 308001580 572383618 /nfs/dbraw/zinc/38/36/18/572383618.db2.gz ZWXJBFGKJYYJDD-ZETCQYMHSA-N 0 0 186.280 1.376 10 0 ADAERN CC(C)(C)CC[C@@H](O)c1nc[nH]n1 83745992 572383631 /nfs/dbraw/zinc/38/36/31/572383631.db2.gz RVQYIYDOQMTJSP-SSDOTTSWSA-N 0 0 183.255 1.664 10 0 ADAERN CC/C=C/C(=O)OCCCCO 308001426 572383644 /nfs/dbraw/zinc/38/36/44/572383644.db2.gz ZQUHFESKDCVCOX-ZZXKWVIFSA-N 0 0 172.224 1.268 10 0 ADAERN CCCCCC[C@@H](O)c1c[nH]nc1N 83747470 572383647 /nfs/dbraw/zinc/38/36/47/572383647.db2.gz QRRQHKGOMJANCY-SECBINFHSA-N 0 0 197.282 1.996 10 0 ADAERN CCC(CC)n1cc(CO)cn1 87173936 572383678 /nfs/dbraw/zinc/38/36/78/572383678.db2.gz VKZZPCWFSONNEA-UHFFFAOYSA-N 0 0 168.240 1.737 10 0 ADAERN CC(C)CC[C@@H](O)c1cnn(C)c1N 83747220 572383728 /nfs/dbraw/zinc/38/37/28/572383728.db2.gz HYULEENVTXPHEU-SECBINFHSA-N 0 0 197.282 1.472 10 0 ADAERN CC/C=C/SC[C@@H]([NH3+])C(=O)[O-] 238223340 572383743 /nfs/dbraw/zinc/38/37/43/572383743.db2.gz BLDFZNJAYHKDJE-FCJGRKLLSA-N 0 0 175.253 1.055 10 0 ADAERN CCCCNC(=O)C(=O)C(C)C 238225531 572383770 /nfs/dbraw/zinc/38/37/70/572383770.db2.gz YXKQGLAPVLTODC-UHFFFAOYSA-N 0 0 171.240 1.128 10 0 ADAERN Cc1cc(C[C@@H]([NH3+])C(=O)[O-])sc1C 44286213 572383773 /nfs/dbraw/zinc/38/37/73/572383773.db2.gz ZRUATMAEORVYOL-MRVPVSSYSA-N 0 0 199.275 1.319 10 0 ADAERN CCC[C@H](CCCO)[C@H](C)O 238225193 572383777 /nfs/dbraw/zinc/38/37/77/572383777.db2.gz MWDGCIZFGLRXMF-DTWKUNHWSA-N 0 0 160.257 1.556 10 0 ADAERN CC1=CCC[C@H](C)[C@H]1C[C@H]([NH3+])C(=O)[O-] 44286498 572383819 /nfs/dbraw/zinc/38/38/19/572383819.db2.gz CULQSZNWPBQOBD-GUBZILKMSA-N 0 0 197.278 1.781 10 0 ADAERN CCCCC(=O)OCc1c[nH]cn1 238226100 572383823 /nfs/dbraw/zinc/38/38/23/572383823.db2.gz UJMWURNZRXLEMA-UHFFFAOYSA-N 0 0 182.223 1.643 10 0 ADAERN CCCC[C@@H](O)c1c[nH]nc1N 83747354 572383827 /nfs/dbraw/zinc/38/38/27/572383827.db2.gz CAGWBVOGXWJFDN-SSDOTTSWSA-N 0 0 169.228 1.216 10 0 ADAERN CC(C)CCC(=O)[C@@H]1COCCO1 83741379 572383854 /nfs/dbraw/zinc/38/38/54/572383854.db2.gz PQFXROXFSBCEBC-JTQLQIEISA-N 0 0 186.251 1.407 10 0 ADAERN O=Cc1c(Cl)nc2c[nH][nH]c1-2 76597842 572383867 /nfs/dbraw/zinc/38/38/67/572383867.db2.gz LIAQBOUJAMYXMZ-UHFFFAOYSA-N 0 0 169.571 1.357 10 0 ADAERN CC(C)CC[C@H](O)c1c[nH]nc1N 83747427 572383891 /nfs/dbraw/zinc/38/38/91/572383891.db2.gz DIGZSCHQTGEZLH-QMMMGPOBSA-N 0 0 183.255 1.462 10 0 ADAERN CCC[C@H](C)C[C@H](O)c1nc[nH]n1 83746032 572386416 /nfs/dbraw/zinc/38/64/16/572386416.db2.gz AVZUVVDLZJWZBS-YUMQZZPRSA-N 0 0 183.255 1.664 10 0 ADAERN CC[C@H](C)C[C@H](O)c1cnn(C)c1N 83747222 572384025 /nfs/dbraw/zinc/38/40/25/572384025.db2.gz JKZTYJMQPTYUEP-CBAPKCEASA-N 0 0 197.282 1.472 10 0 ADAERN CC/C=C\C(=O)OCCCCO 308001424 572384030 /nfs/dbraw/zinc/38/40/30/572384030.db2.gz ZQUHFESKDCVCOX-UTCJRWHESA-N 0 0 172.224 1.268 10 0 ADAERN CC(C)(C)CC[C@H](O)c1nc[nH]n1 83745991 572384063 /nfs/dbraw/zinc/38/40/63/572384063.db2.gz RVQYIYDOQMTJSP-ZETCQYMHSA-N 0 0 183.255 1.664 10 0 ADAERN CCC[C@@](C)(COC(N)=O)[C@H](C)O 238225941 572384068 /nfs/dbraw/zinc/38/40/68/572384068.db2.gz XFBZYMWXBCFQJE-CBAPKCEASA-N 0 0 189.255 1.269 10 0 ADAERN CONCCOc1ccccc1OC 88300370 572384131 /nfs/dbraw/zinc/38/41/31/572384131.db2.gz BRQOKDBFNGQQAP-UHFFFAOYSA-N 0 0 197.234 1.225 10 0 ADAERN CC[C@@H](C)CC(=O)c1nc[nH]n1 83745743 572384139 /nfs/dbraw/zinc/38/41/39/572384139.db2.gz QGDDPPASVOWDKO-ZCFIWIBFSA-N 0 0 167.212 1.424 10 0 ADAERN COC[C@@H](C)C(=O)OCC(C)C 308002036 572384205 /nfs/dbraw/zinc/38/42/05/572384205.db2.gz AMQCGZLTJXKBHA-MRVPVSSYSA-N 0 0 174.240 1.468 10 0 ADAERN CCCCC[C@H]1[C@@H](CO)CC[C@H]1O 238223589 572384210 /nfs/dbraw/zinc/38/42/10/572384210.db2.gz FPURAQSKBQYHRQ-OUAUKWLOSA-N 0 0 186.295 1.946 10 0 ADAERN CC(C)CC[C@@H](O)[C@@H]1COCCO1 83742157 572384221 /nfs/dbraw/zinc/38/42/21/572384221.db2.gz DCDYWGCUSSFMOA-ZJUUUORDSA-N 0 0 188.267 1.199 10 0 ADAERN CCCCC[C@@H](O)c1nc[nH]n1 83745848 572384332 /nfs/dbraw/zinc/38/43/32/572384332.db2.gz BVZGCFKXXCLCEA-SSDOTTSWSA-N 0 0 169.228 1.418 10 0 ADAERN [NH3+]Cc1ccc(CCCC(=O)[O-])s1 238679382 572384291 /nfs/dbraw/zinc/38/42/91/572384291.db2.gz QYVAFBOVDQCISR-UHFFFAOYSA-N 0 0 199.275 1.614 10 0 ADAERN CCCCCC[C@H](OC)C(=O)CO 238225725 572384340 /nfs/dbraw/zinc/38/43/40/572384340.db2.gz AAOPTIOQDTURMB-JTQLQIEISA-N 0 0 188.267 1.533 10 0 ADAERN CC[C@H](C)CC(=O)[C@H]1COCCO1 83741626 572384343 /nfs/dbraw/zinc/38/43/43/572384343.db2.gz KYGXIOCIOJZUMZ-WCBMZHEXSA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)OCc1cccnc1N 52754861 572384442 /nfs/dbraw/zinc/38/44/42/572384442.db2.gz FIZBDBRLMLQATJ-UHFFFAOYSA-N 0 0 166.224 1.589 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1cnn(C)c1N 83747223 572384474 /nfs/dbraw/zinc/38/44/74/572384474.db2.gz JKZTYJMQPTYUEP-VXNVDRBHSA-N 0 0 197.282 1.472 10 0 ADAERN CCCCC[C@@]1(NC)C[C@H](C)OC1=O 238225241 572384497 /nfs/dbraw/zinc/38/44/97/572384497.db2.gz OBFYTYSHLPWNIP-GXSJLCMTSA-N 0 0 199.294 1.860 10 0 ADAERN CCC[C@H](C)C[C@@H](O)c1c[nH]nc1N 83747506 572384529 /nfs/dbraw/zinc/38/45/29/572384529.db2.gz WUTCZBOSBKSWOV-IONNQARKSA-N 0 0 197.282 1.852 10 0 ADAERN COCOC(=O)c1scnc1C 308001555 572384531 /nfs/dbraw/zinc/38/45/31/572384531.db2.gz ZWEMCIDDRNWDSA-UHFFFAOYSA-N 0 0 187.220 1.212 10 0 ADAERN CCCCCC(=O)[C@@H]1COCCO1 83741604 572386441 /nfs/dbraw/zinc/38/64/41/572386441.db2.gz PVFVAIIKJMQISC-JTQLQIEISA-N 0 0 186.251 1.551 10 0 ADAERN Cc1cc(C[C@@H]([NH3+])C(=O)[O-])c(C)s1 44289669 572384606 /nfs/dbraw/zinc/38/46/06/572384606.db2.gz GUBJAMNHRNIPSO-MRVPVSSYSA-N 0 0 199.275 1.319 10 0 ADAERN CCC(CC)n1cnc(CN)n1 87173993 572384611 /nfs/dbraw/zinc/38/46/11/572384611.db2.gz DGIUMNIOGQLXGD-UHFFFAOYSA-N 0 0 168.244 1.098 10 0 ADAERN CCCc1nc(C)c(C[NH2+]C)o1 238225967 572384650 /nfs/dbraw/zinc/38/46/50/572384650.db2.gz QLLZJXJLKMXJKQ-UHFFFAOYSA-N 0 0 168.240 1.655 10 0 ADAERN CC[C@H](C)CC(=O)c1cnn(C)c1N 83746991 572384669 /nfs/dbraw/zinc/38/46/69/572384669.db2.gz CLZZUNKBUSOIGT-ZETCQYMHSA-N 0 0 195.266 1.621 10 0 ADAERN COC[C@@H](O)c1ccc(Cl)o1 234703340 572384703 /nfs/dbraw/zinc/38/47/03/572384703.db2.gz ICZNFONNZIHBKL-RXMQYKEDSA-N 0 0 176.599 1.613 10 0 ADAERN CCCCNC(=O)CC(=O)CCC 238226073 572384713 /nfs/dbraw/zinc/38/47/13/572384713.db2.gz NRTDJGMXYVWBJE-UHFFFAOYSA-N 0 0 185.267 1.662 10 0 ADAERN CCC(=O)[C@@H](C)SC[C@H](C)O 238223735 572384791 /nfs/dbraw/zinc/38/47/91/572384791.db2.gz GMAGSTZBFJBWEC-NKWVEPMBSA-N 0 0 176.281 1.468 10 0 ADAERN CC(C)CCC(=O)c1cnn(C)c1N 83746951 572384814 /nfs/dbraw/zinc/38/48/14/572384814.db2.gz WKYWLFJVMHRHDI-UHFFFAOYSA-N 0 0 195.266 1.621 10 0 ADAERN CCCCC(=O)C[C@@H](O)C(C)=O 238223715 572384903 /nfs/dbraw/zinc/38/49/03/572384903.db2.gz PLUVAOABQASTBG-SECBINFHSA-N 0 0 172.224 1.086 10 0 ADAERN CCCCC(=O)[C@@H]1COCCO1 83741438 572384938 /nfs/dbraw/zinc/38/49/38/572384938.db2.gz ZUQDOGQUIHMKER-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CCC(=O)[C@@H]1C=C[C@H]1C(=O)CC 238225877 572384951 /nfs/dbraw/zinc/38/49/51/572384951.db2.gz KZAJZDPGZVIKQI-HTQZYQBOSA-N 0 0 166.220 1.747 10 0 ADAERN CCCC[C@@H](O)c1cnn(C)c1N 83747176 572384997 /nfs/dbraw/zinc/38/49/97/572384997.db2.gz ORDYYGAWJLJGQN-MRVPVSSYSA-N 0 0 183.255 1.226 10 0 ADAERN CCCC(=O)c1ncnn1CC 308002033 572385013 /nfs/dbraw/zinc/38/50/13/572385013.db2.gz IBAXLURYWAHYRL-UHFFFAOYSA-N 0 0 167.212 1.281 10 0 ADAERN Nc1ccc(SCCCO)cc1N 236339139 572385068 /nfs/dbraw/zinc/38/50/68/572385068.db2.gz QBCFTYPGXYAEAY-UHFFFAOYSA-N 0 0 198.291 1.326 10 0 ADAERN CCCCC[C@@H](O)c1c[nH]nc1N 83747350 572385093 /nfs/dbraw/zinc/38/50/93/572385093.db2.gz GPSWTGOURIGUKL-MRVPVSSYSA-N 0 0 183.255 1.606 10 0 ADAERN CCCCC(=O)[C@@H](C)[C@H](C)O 238226667 572385103 /nfs/dbraw/zinc/38/51/03/572385103.db2.gz KOGVMFGIHCODIG-YUMQZZPRSA-N 0 0 158.241 1.763 10 0 ADAERN CC[C@H](C)CC(=O)c1nc[nH]n1 83745744 572385136 /nfs/dbraw/zinc/38/51/36/572385136.db2.gz QGDDPPASVOWDKO-LURJTMIESA-N 0 0 167.212 1.424 10 0 ADAERN CCCCCC(=O)c1nc[nH]n1 83745680 572385147 /nfs/dbraw/zinc/38/51/47/572385147.db2.gz GLOPIXIUUJLLHS-UHFFFAOYSA-N 0 0 167.212 1.568 10 0 ADAERN CCCOC(=O)c1nn(CC)cc1N 83745597 572385176 /nfs/dbraw/zinc/38/51/76/572385176.db2.gz NJVMHWYHKIXPQE-UHFFFAOYSA-N 0 0 197.238 1.052 10 0 ADAERN CC(C)CCC(=O)c1nc[nH]n1 83745646 572385184 /nfs/dbraw/zinc/38/51/84/572385184.db2.gz RQUAXHDHTHDEPC-UHFFFAOYSA-N 0 0 167.212 1.424 10 0 ADAERN CCCCC(=O)OC/C=C/CO 238226078 572385213 /nfs/dbraw/zinc/38/52/13/572385213.db2.gz SIUIJKZLOOQEBG-SNAWJCMRSA-N 0 0 172.224 1.268 10 0 ADAERN CCCCNC(=O)CC(=[NH2+])SC 238226031 572385225 /nfs/dbraw/zinc/38/52/25/572385225.db2.gz OEEKSRQIPXWWLB-UHFFFAOYSA-N 0 0 188.296 1.633 10 0 ADAERN [NH3+]Cc1ccc(SCC(=O)[O-])cc1 238683223 572385226 /nfs/dbraw/zinc/38/52/26/572385226.db2.gz FQWCHMKZIDHCNU-UHFFFAOYSA-N 0 0 197.259 1.322 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1nc[nH]n1 83745933 572385233 /nfs/dbraw/zinc/38/52/33/572385233.db2.gz RYOLPEWDEKSZGF-RQJHMYQMSA-N 0 0 169.228 1.274 10 0 ADAERN CC(C)(C)CCC(=O)c1nc[nH]n1 83745647 572385252 /nfs/dbraw/zinc/38/52/52/572385252.db2.gz DTPDLDKUIXPKSM-UHFFFAOYSA-N 0 0 181.239 1.814 10 0 ADAERN CCCCCCC(=O)c1nc[nH]n1 83745732 572385265 /nfs/dbraw/zinc/38/52/65/572385265.db2.gz VDGGUJSZVVSAPM-UHFFFAOYSA-N 0 0 181.239 1.958 10 0 ADAERN CC[C@H](C)C[C@@H](O)c1nc[nH]n1 83745936 572385277 /nfs/dbraw/zinc/38/52/77/572385277.db2.gz RYOLPEWDEKSZGF-NKWVEPMBSA-N 0 0 169.228 1.274 10 0 ADAERN CCC(=O)[C@@H](O)C[C@@H](C)CC(C)=O 238225426 572385299 /nfs/dbraw/zinc/38/52/99/572385299.db2.gz ZURVVSDJCAVTNZ-XVKPBYJWSA-N 0 0 186.251 1.332 10 0 ADAERN CCN(CC)C(=O)C(=O)c1ccc[nH]1 238223528 572385315 /nfs/dbraw/zinc/38/53/15/572385315.db2.gz XCKYYUHCXUBYLY-UHFFFAOYSA-N 0 0 194.234 1.066 10 0 ADAERN CCCOC(=O)c1c(N)cnn1CC 83745479 572385327 /nfs/dbraw/zinc/38/53/27/572385327.db2.gz MKQVEHOQRJFNJM-UHFFFAOYSA-N 0 0 197.238 1.052 10 0 ADAERN OCCC[C@@H]1C[C@]1(O)c1ccccc1 238678494 572385339 /nfs/dbraw/zinc/38/53/39/572385339.db2.gz OEUZYKGJLRUBBP-NEPJUHHUSA-N 0 0 192.258 1.667 10 0 ADAERN CC[C@@H](C)CC(=O)[C@H]1COCCO1 83741624 572385340 /nfs/dbraw/zinc/38/53/40/572385340.db2.gz KYGXIOCIOJZUMZ-PSASIEDQSA-N 0 0 186.251 1.407 10 0 ADAERN CCCCCC(=O)c1cnn(C)c1N 83746963 572385346 /nfs/dbraw/zinc/38/53/46/572385346.db2.gz ZXBCLNYXWVSBLL-UHFFFAOYSA-N 0 0 195.266 1.765 10 0 ADAERN CCCCC[C@H](O)c1nc[nH]n1 83745847 572385350 /nfs/dbraw/zinc/38/53/50/572385350.db2.gz BVZGCFKXXCLCEA-ZETCQYMHSA-N 0 0 169.228 1.418 10 0 ADAERN CCCCCC[C@H](O)[C@H](F)CO 238225455 572385351 /nfs/dbraw/zinc/38/53/51/572385351.db2.gz XTZMZUZZAARKLL-BDAKNGLRSA-N 0 0 178.247 1.648 10 0 ADAERN N#CNCCc1cc(F)cc(F)c1 60718372 572385411 /nfs/dbraw/zinc/38/54/11/572385411.db2.gz NJFLHRHFHNLTLJ-UHFFFAOYSA-N 0 0 182.173 1.578 10 0 ADAERN CC[C@@H](C)CC(=O)c1cnn(C)c1N 83746990 572385486 /nfs/dbraw/zinc/38/54/86/572385486.db2.gz CLZZUNKBUSOIGT-SSDOTTSWSA-N 0 0 195.266 1.621 10 0 ADAERN COC(=O)CN[C@@H]1CC(C)(C)C[C@H]1C 234539897 572385511 /nfs/dbraw/zinc/38/55/11/572385511.db2.gz RDAHRVSLSFIRBA-RKDXNWHRSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)(C)CC[C@H](O)c1c[nH]nc1N 83747479 572385553 /nfs/dbraw/zinc/38/55/53/572385553.db2.gz OHJORLCSBKRXPX-QMMMGPOBSA-N 0 0 197.282 1.852 10 0 ADAERN CCC[C@H](C)CC(=O)c1nc[nH]n1 83745742 572385562 /nfs/dbraw/zinc/38/55/62/572385562.db2.gz WCIDZGYAGBARGN-ZETCQYMHSA-N 0 0 181.239 1.814 10 0 ADAERN CC(C)CC[C@H](O)[C@H]1COCCO1 83742159 572385565 /nfs/dbraw/zinc/38/55/65/572385565.db2.gz DCDYWGCUSSFMOA-VHSXEESVSA-N 0 0 188.267 1.199 10 0 ADAERN CCCCC(=O)c1cnn(C)c1N 83746959 572385591 /nfs/dbraw/zinc/38/55/91/572385591.db2.gz UIZSMCPOCWJFNH-UHFFFAOYSA-N 0 0 181.239 1.375 10 0 ADAERN CCN[C@H](c1ccoc1)c1nc[nH]n1 83746807 572385598 /nfs/dbraw/zinc/38/55/98/572385598.db2.gz JEFITYHXZNALNL-MRVPVSSYSA-N 0 0 192.222 1.097 10 0 ADAERN CCCCCC[C@@H](O)c1nc[nH]n1 83745978 572385606 /nfs/dbraw/zinc/38/56/06/572385606.db2.gz MVUGQCCXKFJXEW-MRVPVSSYSA-N 0 0 183.255 1.809 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1c[nH]nc1N 83747431 572385622 /nfs/dbraw/zinc/38/56/22/572385622.db2.gz MBAVFCBMYQYMNI-HTRCEHHLSA-N 0 0 183.255 1.462 10 0 ADAERN CC[C@@H](C)CC(=O)c1c[nH]nc1N 83747111 572385635 /nfs/dbraw/zinc/38/56/35/572385635.db2.gz PGHFITSKPPVMAT-ZCFIWIBFSA-N 0 0 181.239 1.611 10 0 ADAERN O[C@@H]1CC[C@H]2CSCC[C@@H]2C1 76599542 572387203 /nfs/dbraw/zinc/38/72/03/572387203.db2.gz UPQKTQGXPSAXNF-HRDYMLBCSA-N 0 0 172.293 1.901 10 0 ADAERN CCCCCC[C@H](OC)OCCO 238225747 572385651 /nfs/dbraw/zinc/38/56/51/572385651.db2.gz PABPXKZEGQVYOE-SNVBAGLBSA-N 0 0 190.283 1.938 10 0 ADAERN CCCCNC(=O)CC(=O)C1CC1 238226047 572385684 /nfs/dbraw/zinc/38/56/84/572385684.db2.gz NSQBITHGYGYPJL-UHFFFAOYSA-N 0 0 183.251 1.272 10 0 ADAERN CCCCC[C@@H](O)[C@H]1COCCO1 83741940 572385701 /nfs/dbraw/zinc/38/57/01/572385701.db2.gz YQRMNUUUPOXCAQ-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1nc[nH]n1 83745935 572385752 /nfs/dbraw/zinc/38/57/52/572385752.db2.gz RYOLPEWDEKSZGF-RNFRBKRXSA-N 0 0 169.228 1.274 10 0 ADAERN CC/C=C/[C@@H](O)CCCC(=O)OC 238223726 572385796 /nfs/dbraw/zinc/38/57/96/572385796.db2.gz JEGQVZJFGJMWIL-OTQAPUNGSA-N 0 0 186.251 1.657 10 0 ADAERN CCCCC(=O)N[C@H]1CC(=O)C1(C)C 238225257 572385800 /nfs/dbraw/zinc/38/58/00/572385800.db2.gz RBYBYYWXOLGSJQ-QMMMGPOBSA-N 0 0 197.278 1.660 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1c[nH]nc1N 83747429 572385835 /nfs/dbraw/zinc/38/58/35/572385835.db2.gz MBAVFCBMYQYMNI-SVRRBLITSA-N 0 0 183.255 1.462 10 0 ADAERN CC/C=C/[C@H](O)CCCC(=O)OC 238224664 572385850 /nfs/dbraw/zinc/38/58/50/572385850.db2.gz JEGQVZJFGJMWIL-DNQSNQRASA-N 0 0 186.251 1.657 10 0 ADAERN CCC(CC)n1cnc(C(N)=S)n1 87173995 572385852 /nfs/dbraw/zinc/38/58/52/572385852.db2.gz NSCCXKPVOQCILB-UHFFFAOYSA-N 0 0 198.295 1.273 10 0 ADAERN CCCCCC[C@H](O)c1c[nH]nc1N 83747469 572385855 /nfs/dbraw/zinc/38/58/55/572385855.db2.gz QRRQHKGOMJANCY-VIFPVBQESA-N 0 0 197.282 1.996 10 0 ADAERN NC(=O)/C=C\C(Cl)(Cl)Cl 206837915 572387152 /nfs/dbraw/zinc/38/71/52/572387152.db2.gz CRLGSLDBVHFAOE-UPHRSURJSA-N 0 0 188.441 1.398 10 0 ADAERN CCC(=O)[C@@H](CC1CC1)C(=O)OC 238224793 572387215 /nfs/dbraw/zinc/38/72/15/572387215.db2.gz CWQRAVKQYOGQTM-MRVPVSSYSA-N 0 0 184.235 1.555 10 0 ADAERN OCCc1ccc([C@@H](O)C2CC2)cc1 238686239 572386079 /nfs/dbraw/zinc/38/60/79/572386079.db2.gz JKPWCFIFEWKLHJ-GFCCVEGCSA-N 0 0 192.258 1.665 10 0 ADAERN CC[C@@H](F)CSc1nc(N)n[nH]1 308002095 572386085 /nfs/dbraw/zinc/38/60/85/572386085.db2.gz APBHBLQPXJPVCU-SCSAIBSYSA-N 0 0 190.247 1.227 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]CCCF 308002175 572386093 /nfs/dbraw/zinc/38/60/93/572386093.db2.gz IFZYGBINACRMNO-SSDOTTSWSA-N 0 0 177.219 1.189 10 0 ADAERN CCN[C@@H](c1ccoc1)c1nc[nH]n1 83746806 572386118 /nfs/dbraw/zinc/38/61/18/572386118.db2.gz JEFITYHXZNALNL-QMMMGPOBSA-N 0 0 192.222 1.097 10 0 ADAERN CCCCNC(=O)CC(=O)CC 238226062 572386126 /nfs/dbraw/zinc/38/61/26/572386126.db2.gz UDHTWSSUWGEYOB-UHFFFAOYSA-N 0 0 171.240 1.272 10 0 ADAERN CCCOC(=O)[C@H](O)[C@@H](C)CC 308002286 572386177 /nfs/dbraw/zinc/38/61/77/572386177.db2.gz BMVILUBIEBUYJD-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN CC[C@H](C)C[C@H](O)c1nc[nH]n1 83745934 572386197 /nfs/dbraw/zinc/38/61/97/572386197.db2.gz RYOLPEWDEKSZGF-BQBZGAKWSA-N 0 0 169.228 1.274 10 0 ADAERN O[C@@H](CCC(F)(F)F)c1nc[nH]n1 83745968 572386200 /nfs/dbraw/zinc/38/62/00/572386200.db2.gz NNODXRVBWSDSNW-BYPYZUCNSA-N 0 0 195.144 1.181 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+]CCCF 308002177 572386207 /nfs/dbraw/zinc/38/62/07/572386207.db2.gz IFZYGBINACRMNO-ZETCQYMHSA-N 0 0 177.219 1.189 10 0 ADAERN CC(C)CC[C@@H](O)c1c[nH]nc1N 83747428 572386218 /nfs/dbraw/zinc/38/62/18/572386218.db2.gz DIGZSCHQTGEZLH-MRVPVSSYSA-N 0 0 183.255 1.462 10 0 ADAERN C[C@H](CO)CCc1ccc(O)cc1 87184144 572386447 /nfs/dbraw/zinc/38/64/47/572386447.db2.gz YLKYZYCSHDONJO-VIFPVBQESA-N 0 0 180.247 1.953 10 0 ADAERN CCCCC[C@@H](O)[C@@H]1COCCO1 83741936 572386260 /nfs/dbraw/zinc/38/62/60/572386260.db2.gz YQRMNUUUPOXCAQ-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CC(C)CCC(=O)c1c[nH]nc1N 83747039 572386264 /nfs/dbraw/zinc/38/62/64/572386264.db2.gz PAYMDNAMHUIOQH-UHFFFAOYSA-N 0 0 181.239 1.611 10 0 ADAERN CCCCCC(=O)c1c[nH]nc1N 83747066 572386293 /nfs/dbraw/zinc/38/62/93/572386293.db2.gz KUGLOZJVATYFMC-UHFFFAOYSA-N 0 0 181.239 1.755 10 0 ADAERN CC[C@H](C)CC(=O)c1c[nH]nc1N 83747112 572386294 /nfs/dbraw/zinc/38/62/94/572386294.db2.gz PGHFITSKPPVMAT-LURJTMIESA-N 0 0 181.239 1.611 10 0 ADAERN CCCCCOC(=O)c1n[nH]cc1N 83744683 572386321 /nfs/dbraw/zinc/38/63/21/572386321.db2.gz CQBWFZRTHKOSLH-UHFFFAOYSA-N 0 0 197.238 1.339 10 0 ADAERN CCC[C@@H](C)C[C@@H](O)c1c[nH]nc1N 83747505 572386346 /nfs/dbraw/zinc/38/63/46/572386346.db2.gz WUTCZBOSBKSWOV-VXNVDRBHSA-N 0 0 197.282 1.852 10 0 ADAERN OCCCc1ccc(C2CC2)nc1 238686466 572386359 /nfs/dbraw/zinc/38/63/59/572386359.db2.gz VOWFZEPRWHHMKU-UHFFFAOYSA-N 0 0 177.247 1.884 10 0 ADAERN CC[C@H](C)C[C@@H](O)c1c[nH]nc1N 83747432 572386366 /nfs/dbraw/zinc/38/63/66/572386366.db2.gz MBAVFCBMYQYMNI-POYBYMJQSA-N 0 0 183.255 1.462 10 0 ADAERN CCN[C@H](c1nc[nH]n1)c1ccco1 83746714 572386371 /nfs/dbraw/zinc/38/63/71/572386371.db2.gz RTNYAMPPXMLYMA-QMMMGPOBSA-N 0 0 192.222 1.097 10 0 ADAERN CCC(=O)[C@@H](O)C[C@H](C)CC(C)=O 238225440 572386377 /nfs/dbraw/zinc/38/63/77/572386377.db2.gz ZURVVSDJCAVTNZ-XCBNKYQSSA-N 0 0 186.251 1.332 10 0 ADAERN CCCCC[C@@]12CCCN1CC[NH2+]2 238225437 572386389 /nfs/dbraw/zinc/38/63/89/572386389.db2.gz PXXWTSGCHLAAQM-NSHDSACASA-N 0 0 182.311 1.962 10 0 ADAERN C[C@@H](CO)CCc1cccc(O)c1 87184142 572386400 /nfs/dbraw/zinc/38/64/00/572386400.db2.gz PDUXLQJWBACUBQ-SECBINFHSA-N 0 0 180.247 1.953 10 0 ADAERN CC[C@@H](C)CC(=O)[C@@H]1COCCO1 83741620 572387220 /nfs/dbraw/zinc/38/72/20/572387220.db2.gz KYGXIOCIOJZUMZ-SCZZXKLOSA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)CC[C@H](O)c1cnn(C)c1N 83747219 572386485 /nfs/dbraw/zinc/38/64/85/572386485.db2.gz HYULEENVTXPHEU-VIFPVBQESA-N 0 0 197.282 1.472 10 0 ADAERN CC(C)CC[C@@H](O)[C@H]1COCCO1 83742161 572386488 /nfs/dbraw/zinc/38/64/88/572386488.db2.gz DCDYWGCUSSFMOA-NXEZZACHSA-N 0 0 188.267 1.199 10 0 ADAERN CCCOC(=O)[C@@H](O)[C@H](C)CC 308002295 572386491 /nfs/dbraw/zinc/38/64/91/572386491.db2.gz BMVILUBIEBUYJD-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN CC[C@H](C)CC(=O)[C@@H]1COCCO1 83741622 572386492 /nfs/dbraw/zinc/38/64/92/572386492.db2.gz KYGXIOCIOJZUMZ-WPRPVWTQSA-N 0 0 186.251 1.407 10 0 ADAERN COC[C@@H](O)C1(C)CCCCC1 234706127 572386533 /nfs/dbraw/zinc/38/65/33/572386533.db2.gz SSWLHFSNUAPVAR-SECBINFHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCOC(=O)[C@@H](O)[C@@H](C)CC 308002306 572386542 /nfs/dbraw/zinc/38/65/42/572386542.db2.gz BMVILUBIEBUYJD-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN CCN[C@@H](c1nc[nH]n1)c1ccco1 83746715 572387178 /nfs/dbraw/zinc/38/71/78/572387178.db2.gz RTNYAMPPXMLYMA-MRVPVSSYSA-N 0 0 192.222 1.097 10 0 ADAERN O[C@H](CCC(F)(F)F)c1nc[nH]n1 83745967 572387227 /nfs/dbraw/zinc/38/72/27/572387227.db2.gz NNODXRVBWSDSNW-SCSAIBSYSA-N 0 0 195.144 1.181 10 0 ADAERN OCCSCc1ccc(O)cc1 87179242 572386642 /nfs/dbraw/zinc/38/66/42/572386642.db2.gz AZLMTYJBPFKDAX-UHFFFAOYSA-N 0 0 184.260 1.618 10 0 ADAERN CC[C@H](C)C[C@@H](O)[C@@H]1COCCO1 83742169 572386655 /nfs/dbraw/zinc/38/66/55/572386655.db2.gz KDDSIGFZEAUUOP-AEJSXWLSSA-N 0 0 188.267 1.199 10 0 ADAERN O=C1Cc2c(ncc3[nH]ccc23)N1 76599629 572386706 /nfs/dbraw/zinc/38/67/06/572386706.db2.gz CFUDKDODZGGUEI-UHFFFAOYSA-N 0 0 173.175 1.058 10 0 ADAERN CCCCC(=O)c1c[nH]nc1N 83747059 572386711 /nfs/dbraw/zinc/38/67/11/572386711.db2.gz FUWIWAYBZILYSH-UHFFFAOYSA-N 0 0 167.212 1.365 10 0 ADAERN COC[C@@H](O)c1ncccc1Cl 234704368 572386727 /nfs/dbraw/zinc/38/67/27/572386727.db2.gz HDOUKJXLXSLRPO-SSDOTTSWSA-N 0 0 187.626 1.415 10 0 ADAERN CCOC[C@@H](O)C1(SC)CCC1 308002410 572386799 /nfs/dbraw/zinc/38/67/99/572386799.db2.gz INFPGJSCXUPNAI-MRVPVSSYSA-N 0 0 190.308 1.670 10 0 ADAERN CC(C)CC[C@H](O)[C@@H]1COCCO1 83742155 572386835 /nfs/dbraw/zinc/38/68/35/572386835.db2.gz DCDYWGCUSSFMOA-UWVGGRQHSA-N 0 0 188.267 1.199 10 0 ADAERN CCC[C@@H](C)C[C@@H](O)c1nc[nH]n1 83746033 572386883 /nfs/dbraw/zinc/38/68/83/572386883.db2.gz AVZUVVDLZJWZBS-HTQZYQBOSA-N 0 0 183.255 1.664 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1cnn(C)c1N 83747221 572386898 /nfs/dbraw/zinc/38/68/98/572386898.db2.gz JKZTYJMQPTYUEP-APPZFPTMSA-N 0 0 197.282 1.472 10 0 ADAERN CCC(CC)n1cc(C=O)nn1 87177765 572386899 /nfs/dbraw/zinc/38/68/99/572386899.db2.gz BLPCHTAAXPHQTK-UHFFFAOYSA-N 0 0 167.212 1.452 10 0 ADAERN CCCCC[C@H](O)c1c[nH]nc1N 83747349 572386932 /nfs/dbraw/zinc/38/69/32/572386932.db2.gz GPSWTGOURIGUKL-QMMMGPOBSA-N 0 0 183.255 1.606 10 0 ADAERN CCCOC(=O)[C@H](O)[C@H](C)CC 308002281 572386992 /nfs/dbraw/zinc/38/69/92/572386992.db2.gz BMVILUBIEBUYJD-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN O[C@@H]1CC[C@H]2CCSC[C@@H]2C1 76599563 572387002 /nfs/dbraw/zinc/38/70/02/572387002.db2.gz HZCAWWCOGOFDRM-XHNCKOQMSA-N 0 0 172.293 1.901 10 0 ADAERN CC[C@@H](C)CC(=O)OC1COC1 308002391 572387028 /nfs/dbraw/zinc/38/70/28/572387028.db2.gz BNFBGQUUASSTEL-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN O=C(CCC(F)(F)F)c1nc[nH]n1 83745759 572387045 /nfs/dbraw/zinc/38/70/45/572387045.db2.gz UVTRETSDHJZLPJ-UHFFFAOYSA-N 0 0 193.128 1.330 10 0 ADAERN CCCCC[C@H](O)[C@H]1COCCO1 83741938 572387060 /nfs/dbraw/zinc/38/70/60/572387060.db2.gz YQRMNUUUPOXCAQ-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CCC[C@@H](C)C[C@H](O)c1nc[nH]n1 83746031 572387081 /nfs/dbraw/zinc/38/70/81/572387081.db2.gz AVZUVVDLZJWZBS-SFYZADRCSA-N 0 0 183.255 1.664 10 0 ADAERN CCC[C@H](C)C[C@H](O)c1c[nH]nc1N 83747504 572387083 /nfs/dbraw/zinc/38/70/83/572387083.db2.gz WUTCZBOSBKSWOV-CBAPKCEASA-N 0 0 197.282 1.852 10 0 ADAERN CC[C@H](F)CSc1nc(N)n[nH]1 308002094 572387093 /nfs/dbraw/zinc/38/70/93/572387093.db2.gz APBHBLQPXJPVCU-BYPYZUCNSA-N 0 0 190.247 1.227 10 0 ADAERN CC(C)CCOC(=O)c1n[nH]cc1N 83744671 572387096 /nfs/dbraw/zinc/38/70/96/572387096.db2.gz KTOIFMLQWAHNHT-UHFFFAOYSA-N 0 0 197.238 1.195 10 0 ADAERN COC[C@@H](O)c1cnc(C)s1 234704200 572387099 /nfs/dbraw/zinc/38/70/99/572387099.db2.gz CSMHPDKZGLSXBA-ZCFIWIBFSA-N 0 0 173.237 1.131 10 0 ADAERN COC[C@H](C)Nc1cc(N)ns1 234705329 572387106 /nfs/dbraw/zinc/38/71/06/572387106.db2.gz HCYLOOVXSTYNEM-YFKPBYRVSA-N 0 0 187.268 1.172 10 0 ADAERN CC1(C)[C@@H]2CC[C@]13NC(=S)O[C@@H]3C2 238226489 572387107 /nfs/dbraw/zinc/38/71/07/572387107.db2.gz KVZVFVZCCCSAAN-BRDIYROLSA-N 0 0 197.303 1.838 10 0 ADAERN OCCSCc1cccc(O)c1 87179240 572387878 /nfs/dbraw/zinc/38/78/78/572387878.db2.gz QMOLVKBWKHLUNA-UHFFFAOYSA-N 0 0 184.260 1.618 10 0 ADAERN Cc1cc(C[C@H]([NH3+])C(=O)[O-])sc1C 44286209 572387358 /nfs/dbraw/zinc/38/73/58/572387358.db2.gz ZRUATMAEORVYOL-QMMMGPOBSA-N 0 0 199.275 1.319 10 0 ADAERN Cn1cc(N)cc1-c1cccnc1 76599800 572387408 /nfs/dbraw/zinc/38/74/08/572387408.db2.gz SVTOSVXNNZEOOZ-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN CC(=O)[C@H](C)[C@@H](CC(N)=O)C(C)C 238226723 572387431 /nfs/dbraw/zinc/38/74/31/572387431.db2.gz ICFDMFYIYWTMMV-CBAPKCEASA-N 0 0 185.267 1.359 10 0 ADAERN Cc1nc(C=O)c2ccccc2n1 76599091 572387451 /nfs/dbraw/zinc/38/74/51/572387451.db2.gz NXAFGNCUYPINLP-UHFFFAOYSA-N 0 0 172.187 1.751 10 0 ADAERN CCC[C@@H](C)C[C@H](O)c1c[nH]nc1N 83747503 572387469 /nfs/dbraw/zinc/38/74/69/572387469.db2.gz WUTCZBOSBKSWOV-APPZFPTMSA-N 0 0 197.282 1.852 10 0 ADAERN CCC[C@H](C)C[C@@H](O)c1nc[nH]n1 83746034 572387473 /nfs/dbraw/zinc/38/74/73/572387473.db2.gz AVZUVVDLZJWZBS-JGVFFNPUSA-N 0 0 183.255 1.664 10 0 ADAERN CCCCCC[C@H](O)N1CCCC1=O 238225011 572387487 /nfs/dbraw/zinc/38/74/87/572387487.db2.gz IJJHNJWLTPQANE-JTQLQIEISA-N 0 0 199.294 1.898 10 0 ADAERN CCCCC(=O)[C@@H](C)[C@@H](C)O 238226642 572387500 /nfs/dbraw/zinc/38/75/00/572387500.db2.gz KOGVMFGIHCODIG-JGVFFNPUSA-N 0 0 158.241 1.763 10 0 ADAERN CCn1ncc(N)c1C(=O)OC(C)C 83745481 572387527 /nfs/dbraw/zinc/38/75/27/572387527.db2.gz NRGBMCAQAOKYRS-UHFFFAOYSA-N 0 0 197.238 1.050 10 0 ADAERN COC[C@H](O)[C@H]1CC(C)=C[C@@H](C)C1 234709613 572387528 /nfs/dbraw/zinc/38/75/28/572387528.db2.gz RIAUXOVZONXWKB-IEBDPFPHSA-N 0 0 184.279 1.986 10 0 ADAERN CCC(CC)[C@@]1(CO)CCOC1 87176257 572387538 /nfs/dbraw/zinc/38/75/38/572387538.db2.gz KXMPIEPMERRXIU-SNVBAGLBSA-N 0 0 172.268 1.822 10 0 ADAERN Cn1cc(N)cc1-c1ccncc1 76599807 572387554 /nfs/dbraw/zinc/38/75/54/572387554.db2.gz LKPKPBPDPATXEB-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN COCC(=O)CCc1cccc(O)c1 87178710 572387563 /nfs/dbraw/zinc/38/75/63/572387563.db2.gz SUTCWBKMDWUQPR-UHFFFAOYSA-N 0 0 194.230 1.540 10 0 ADAERN CC(C)(C)CC[C@@H](O)c1c[nH]nc1N 83747480 572387570 /nfs/dbraw/zinc/38/75/70/572387570.db2.gz OHJORLCSBKRXPX-MRVPVSSYSA-N 0 0 197.282 1.852 10 0 ADAERN CCCC[C@H](O)c1cnn(C)c1N 83747175 572387601 /nfs/dbraw/zinc/38/76/01/572387601.db2.gz ORDYYGAWJLJGQN-QMMMGPOBSA-N 0 0 183.255 1.226 10 0 ADAERN Cn1cc(N)cc1-c1ccccn1 76599804 572387622 /nfs/dbraw/zinc/38/76/22/572387622.db2.gz HWZBZYOHIHNHBG-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN CCCCC[C@@]1(C)CNC(=O)N1 238224827 572387629 /nfs/dbraw/zinc/38/76/29/572387629.db2.gz PZBAUUCBEGAKGC-VIFPVBQESA-N 0 0 170.256 1.638 10 0 ADAERN CCC[C@@H](C)CC(=O)c1nc[nH]n1 83745741 572387637 /nfs/dbraw/zinc/38/76/37/572387637.db2.gz WCIDZGYAGBARGN-SSDOTTSWSA-N 0 0 181.239 1.814 10 0 ADAERN c1cc2n(c1)-c1nnccc1NC2 76599092 572387647 /nfs/dbraw/zinc/38/76/47/572387647.db2.gz DUDZYVNQXNOMCY-UHFFFAOYSA-N 0 0 172.191 1.193 10 0 ADAERN CC(C)CC[C@@H](O)c1nc[nH]n1 83745930 572387656 /nfs/dbraw/zinc/38/76/56/572387656.db2.gz DIEZGYDCSHQHRU-SSDOTTSWSA-N 0 0 169.228 1.274 10 0 ADAERN COCCS[C@H](C)OC(=O)OC 308006186 572387679 /nfs/dbraw/zinc/38/76/79/572387679.db2.gz GTOKUVQVYJZDGO-ZCFIWIBFSA-N 0 0 194.252 1.495 10 0 ADAERN OCC(CO)SC1CCCCC1 238692537 572387707 /nfs/dbraw/zinc/38/77/07/572387707.db2.gz BAXPMEAOPGUYFO-UHFFFAOYSA-N 0 0 190.308 1.406 10 0 ADAERN O[C@@H]1CC[C@@H]2CSCC[C@@H]2C1 76599539 572387710 /nfs/dbraw/zinc/38/77/10/572387710.db2.gz UPQKTQGXPSAXNF-IWSPIJDZSA-N 0 0 172.293 1.901 10 0 ADAERN CCC[C@H](CCO)CC(=O)OC 238226901 572387730 /nfs/dbraw/zinc/38/77/30/572387730.db2.gz IEKPSTVQFYFDBT-MRVPVSSYSA-N 0 0 174.240 1.348 10 0 ADAERN COC[C@@H](O)c1ccnc(C)c1 234703911 572387796 /nfs/dbraw/zinc/38/77/96/572387796.db2.gz GWGFSRVZGBJHBW-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN O=Cc1ccccc1-n1ccnn1 76599626 572387827 /nfs/dbraw/zinc/38/78/27/572387827.db2.gz LHAORSPGNSUVIN-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN NOCCc1cc(F)ccc1F 76599574 572387843 /nfs/dbraw/zinc/38/78/43/572387843.db2.gz ZYXNBKWGXVLOSD-UHFFFAOYSA-N 0 0 173.162 1.398 10 0 ADAERN CC(C)[C@H](C)[C@@H](CO)CCO 238224886 572387952 /nfs/dbraw/zinc/38/79/52/572387952.db2.gz ODLRZYPGGFXBRF-DTWKUNHWSA-N 0 0 160.257 1.269 10 0 ADAERN COC[C@H](O)CCc1ccc(O)cc1 87182210 572387956 /nfs/dbraw/zinc/38/79/56/572387956.db2.gz ALQZRKDQZAMLEG-LLVKDONJSA-N 0 0 196.246 1.332 10 0 ADAERN CCC(CC)[C@]1(CO)CCOC1 87176254 572387970 /nfs/dbraw/zinc/38/79/70/572387970.db2.gz KXMPIEPMERRXIU-JTQLQIEISA-N 0 0 172.268 1.822 10 0 ADAERN C/C=C\C(=O)N(C(C)C)[C@H](CC)CO 210499478 572388001 /nfs/dbraw/zinc/38/80/01/572388001.db2.gz PRHWOOYHRNUSNC-ONRRBMGISA-N 0 0 199.294 1.570 10 0 ADAERN CCOCOc1cc(F)ccc1N 83755852 572388019 /nfs/dbraw/zinc/38/80/19/572388019.db2.gz UVRMABUHCIFZMI-UHFFFAOYSA-N 0 0 185.198 1.781 10 0 ADAERN COC[C@H](C)Nc1cc(C)cnn1 234704567 572388022 /nfs/dbraw/zinc/38/80/22/572388022.db2.gz KAILRCMXHCDJQV-QMMMGPOBSA-N 0 0 181.239 1.232 10 0 ADAERN CCOCOc1ccc(N)cc1OC 83755878 572388074 /nfs/dbraw/zinc/38/80/74/572388074.db2.gz XQBNJSVDPKAKMR-UHFFFAOYSA-N 0 0 197.234 1.650 10 0 ADAERN COC[C@@H](O)CCc1cccc(O)c1 87182215 572388128 /nfs/dbraw/zinc/38/81/28/572388128.db2.gz GLXZFLUHIBCRJM-NSHDSACASA-N 0 0 196.246 1.332 10 0 ADAERN C[C@@H](CO)CCc1ccc(O)cc1 87184146 572388139 /nfs/dbraw/zinc/38/81/39/572388139.db2.gz YLKYZYCSHDONJO-SECBINFHSA-N 0 0 180.247 1.953 10 0 ADAERN COC[C@H](O)CCc1cccc(O)c1 87182213 572388195 /nfs/dbraw/zinc/38/81/95/572388195.db2.gz GLXZFLUHIBCRJM-LLVKDONJSA-N 0 0 196.246 1.332 10 0 ADAERN COCOc1cc(N)ccc1OC 83748371 572388355 /nfs/dbraw/zinc/38/83/55/572388355.db2.gz VJPHRLZTCJHDGW-UHFFFAOYSA-N 0 0 183.207 1.260 10 0 ADAERN COC[C@H](C)Nc1ccc(N)c(N)c1 234706435 572388378 /nfs/dbraw/zinc/38/83/78/572388378.db2.gz NOYIKAUOXDPCEM-ZETCQYMHSA-N 0 0 195.266 1.298 10 0 ADAERN CCOCOc1cccc(O)c1 83756329 572388496 /nfs/dbraw/zinc/38/84/96/572388496.db2.gz CCBZUQQYTLWXHR-UHFFFAOYSA-N 0 0 168.192 1.765 10 0 ADAERN CCc1c(N)nnn1C(CC)CC 87177803 572388500 /nfs/dbraw/zinc/38/85/00/572388500.db2.gz FHCZPYQLXSCFTN-UHFFFAOYSA-N 0 0 182.271 1.784 10 0 ADAERN CCOCOc1cc(N)ccc1C 83755866 572388509 /nfs/dbraw/zinc/38/85/09/572388509.db2.gz AVDCGYQITCRNFC-UHFFFAOYSA-N 0 0 181.235 1.950 10 0 ADAERN COC[C@@H](O)c1sc(C)nc1C 234704488 572388574 /nfs/dbraw/zinc/38/85/74/572388574.db2.gz RKTARNVRKPOGMN-SSDOTTSWSA-N 0 0 187.264 1.440 10 0 ADAERN COC[C@@H](O)c1ccoc1Cl 234704031 572388582 /nfs/dbraw/zinc/38/85/82/572388582.db2.gz GYLVYGNOOCQKMY-ZCFIWIBFSA-N 0 0 176.599 1.613 10 0 ADAERN CC1(C)[C@@H]2CC[C@]13NC(=O)O[C@@H]3C2 238226474 572388583 /nfs/dbraw/zinc/38/85/83/572388583.db2.gz UHBBLWIHRMKVTO-BRDIYROLSA-N 0 0 181.235 1.674 10 0 ADAERN CCCCNC(N)=NC(=O)OCC 238224985 572388607 /nfs/dbraw/zinc/38/86/07/572388607.db2.gz LYUJOZYAPBZXEI-UHFFFAOYSA-N 0 0 187.243 1.057 10 0 ADAERN CCOCOc1cccc(CO)c1 83756220 572388617 /nfs/dbraw/zinc/38/86/17/572388617.db2.gz POAQUIZKWLTJMD-UHFFFAOYSA-N 0 0 182.219 1.552 10 0 ADAERN CCOCOc1ccc(C)nc1N 83755875 572388636 /nfs/dbraw/zinc/38/86/36/572388636.db2.gz VDZATFRELRKXKT-UHFFFAOYSA-N 0 0 182.223 1.345 10 0 ADAERN O[C@@H]1CC[C@H]2CCSC[C@H]2C1 76599567 572388678 /nfs/dbraw/zinc/38/86/78/572388678.db2.gz HZCAWWCOGOFDRM-DJLDLDEBSA-N 0 0 172.293 1.901 10 0 ADAERN COC[C@@H](O)CCc1ccc(O)cc1 87182211 572388704 /nfs/dbraw/zinc/38/87/04/572388704.db2.gz ALQZRKDQZAMLEG-NSHDSACASA-N 0 0 196.246 1.332 10 0 ADAERN COCC(=O)CCc1ccc(O)cc1 87178712 572388686 /nfs/dbraw/zinc/38/86/86/572388686.db2.gz LYYKRWJZEJAEKI-UHFFFAOYSA-N 0 0 194.230 1.540 10 0 ADAERN C[C@H](CO)CCc1cccc(O)c1 87184140 572388638 /nfs/dbraw/zinc/38/86/38/572388638.db2.gz PDUXLQJWBACUBQ-VIFPVBQESA-N 0 0 180.247 1.953 10 0 ADAERN COC(=O)[C@H](C)NC[C@@H]1CC1(C)C 234537490 572388656 /nfs/dbraw/zinc/38/86/56/572388656.db2.gz WFLQKVOHTTWBAO-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN CCCCC(=O)N[C@@H]1CC(=O)C1(C)C 238225107 572388799 /nfs/dbraw/zinc/38/87/99/572388799.db2.gz RBYBYYWXOLGSJQ-MRVPVSSYSA-N 0 0 197.278 1.660 10 0 ADAERN OC/C=C/C=C/C=C/C=C/CCCO 238683974 572388835 /nfs/dbraw/zinc/38/88/35/572388835.db2.gz BLQJFNFEVSMYSD-WTCBNMESSA-N 0 0 194.274 1.976 10 0 ADAERN O=C(CO)CCSc1ccccc1 238684224 572388841 /nfs/dbraw/zinc/38/88/41/572388841.db2.gz UKRGQNNBROSRTB-UHFFFAOYSA-N 0 0 196.271 1.730 10 0 ADAERN CCC[C@H](CCCO)[C@@H](C)O 238225184 572388846 /nfs/dbraw/zinc/38/88/46/572388846.db2.gz MWDGCIZFGLRXMF-RKDXNWHRSA-N 0 0 160.257 1.556 10 0 ADAERN COCOC(=O)c1ccc(N)c(F)c1 83749401 572388854 /nfs/dbraw/zinc/38/88/54/572388854.db2.gz AGUXPYVEIGQAIZ-UHFFFAOYSA-N 0 0 199.181 1.169 10 0 ADAERN COC[C@@H](O)C1(O)CCCCCC1 234706236 572388958 /nfs/dbraw/zinc/38/89/58/572388958.db2.gz SXGHDGFGIFMWCJ-SECBINFHSA-N 0 0 188.267 1.079 10 0 ADAERN C=CC(=O)OCCNC(=O)CCCC 238224879 572388959 /nfs/dbraw/zinc/38/89/59/572388959.db2.gz JHUYJPKZNUKIHU-UHFFFAOYSA-N 0 0 199.250 1.022 10 0 ADAERN COCOC(=O)c1cccc(N)c1C 83749372 572389049 /nfs/dbraw/zinc/38/90/49/572389049.db2.gz PHGVMDLVSAWAMX-UHFFFAOYSA-N 0 0 195.218 1.338 10 0 ADAERN OC/C=C/c1ccccc1CCO 238683912 572389075 /nfs/dbraw/zinc/38/90/75/572389075.db2.gz XFGUWPLHYUTCSG-ZZXKWVIFSA-N 0 0 178.231 1.227 10 0 ADAERN CN[C@H](C)c1nc([C@@H]2CC2(C)C)no1 234432613 572389086 /nfs/dbraw/zinc/38/90/86/572389086.db2.gz MTQZCEKYRKAUAS-RQJHMYQMSA-N 0 0 195.266 1.864 10 0 ADAERN COCOC(=O)c1ccc(C)c(N)c1 83749358 572389135 /nfs/dbraw/zinc/38/91/35/572389135.db2.gz GPNMAZITOGCIAG-UHFFFAOYSA-N 0 0 195.218 1.338 10 0 ADAERN O=[P@@H](CCCO)c1ccccc1 238683838 572389137 /nfs/dbraw/zinc/38/91/37/572389137.db2.gz SXTGYYGWRKSWQX-UHFFFAOYSA-N 0 0 184.175 1.254 10 0 ADAERN CCCC(=O)C(C)(C)OC(C)=O 238224928 572389174 /nfs/dbraw/zinc/38/91/74/572389174.db2.gz DAYBPEMFIMSPDK-UHFFFAOYSA-N 0 0 172.224 1.697 10 0 ADAERN OCc1csc(CCC2CC2)n1 238701406 572389189 /nfs/dbraw/zinc/38/91/89/572389189.db2.gz REMQREBZWMPJKK-UHFFFAOYSA-N 0 0 183.276 1.978 10 0 ADAERN C=C(C(=O)NCCO)C1=CCCCC1 238701387 572389213 /nfs/dbraw/zinc/38/92/13/572389213.db2.gz NGHMMYPPUHHOHF-UHFFFAOYSA-N 0 0 195.262 1.152 10 0 ADAERN CCCCCC[C@H]1CC1(CO)CO 238226236 572389251 /nfs/dbraw/zinc/38/92/51/572389251.db2.gz RNSOKSBCXYJHHV-JTQLQIEISA-N 0 0 186.295 1.948 10 0 ADAERN CCOCn1nc(C)c(C=O)c1C 83756339 572389312 /nfs/dbraw/zinc/38/93/12/572389312.db2.gz AKCBZUQYBKKRRG-UHFFFAOYSA-N 0 0 182.223 1.306 10 0 ADAERN CCCc1nc(CCC)nc(OC)n1 238226916 572389314 /nfs/dbraw/zinc/38/93/14/572389314.db2.gz HYGXLHVOZOENLO-UHFFFAOYSA-N 0 0 195.266 1.785 10 0 ADAERN CN[C@H](C)c1nc([C@H]2CC2(C)C)no1 234432752 572389325 /nfs/dbraw/zinc/38/93/25/572389325.db2.gz MTQZCEKYRKAUAS-RNFRBKRXSA-N 0 0 195.266 1.864 10 0 ADAERN COCOC(=O)c1cc(N)ccc1F 83749384 572389393 /nfs/dbraw/zinc/38/93/93/572389393.db2.gz XQNVPZRYMKNGSJ-UHFFFAOYSA-N 0 0 199.181 1.169 10 0 ADAERN CCOC[S@@](=O)c1ccc(N)cc1 83756533 572389378 /nfs/dbraw/zinc/38/93/78/572389378.db2.gz XWLUEGLWFIUUTC-ZDUSSCGKSA-N 0 0 199.275 1.370 10 0 ADAERN COCOc1cccc(C(N)=S)c1 83748936 572389400 /nfs/dbraw/zinc/38/94/00/572389400.db2.gz VOFPUCPVXYLQJM-UHFFFAOYSA-N 0 0 197.259 1.304 10 0 ADAERN CCOCOc1ccc(F)cc1N 83755880 572389421 /nfs/dbraw/zinc/38/94/21/572389421.db2.gz NLTUYDSMNMXJQF-UHFFFAOYSA-N 0 0 185.198 1.781 10 0 ADAERN CCOCOC(=O)c1cccc(N)c1 83756470 572389475 /nfs/dbraw/zinc/38/94/75/572389475.db2.gz OTLSECSOEHRYPV-UHFFFAOYSA-N 0 0 195.218 1.420 10 0 ADAERN O=C(CO)CCCc1ccc(O)cc1 238684117 572389482 /nfs/dbraw/zinc/38/94/82/572389482.db2.gz ZVDZQONBCVXGAN-UHFFFAOYSA-N 0 0 194.230 1.276 10 0 ADAERN CCCOC(=N)NC(=N)OCCC 238226710 572389496 /nfs/dbraw/zinc/38/94/96/572389496.db2.gz APPVZNRNBXJOLD-UHFFFAOYSA-N 0 0 187.243 1.299 10 0 ADAERN COCOc1ccccc1C(N)=S 83748934 572389510 /nfs/dbraw/zinc/38/95/10/572389510.db2.gz HEYKAMLXEKLOJT-UHFFFAOYSA-N 0 0 197.259 1.304 10 0 ADAERN CCC(=O)[C@@H]1CCC[C@H]1ONC 238226685 572389589 /nfs/dbraw/zinc/38/95/89/572389589.db2.gz PXRUEVJPTLBBQN-IONNQARKSA-N 0 0 171.240 1.285 10 0 ADAERN O[C@@H]1CC[C@H]2CSCC[C@H]2C1 76599546 572389602 /nfs/dbraw/zinc/38/96/02/572389602.db2.gz UPQKTQGXPSAXNF-XHNCKOQMSA-N 0 0 172.293 1.901 10 0 ADAERN O=Cc1c(O)cccc1CCCO 238685445 572389603 /nfs/dbraw/zinc/38/96/03/572389603.db2.gz USFSXUYYGPLLQC-UHFFFAOYSA-N 0 0 180.203 1.130 10 0 ADAERN CCCc1nc(CC)c(C(=O)OC)o1 238226568 572389606 /nfs/dbraw/zinc/38/96/06/572389606.db2.gz MWQSIZWULSLPFT-UHFFFAOYSA-N 0 0 197.234 1.976 10 0 ADAERN COCOC(=O)c1ccc(N)cc1F 83749395 572389623 /nfs/dbraw/zinc/38/96/23/572389623.db2.gz XLOWNMCWJDVAAK-UHFFFAOYSA-N 0 0 199.181 1.169 10 0 ADAERN COCOC(=O)c1sccc1N 83749388 572389717 /nfs/dbraw/zinc/38/97/17/572389717.db2.gz DLSNRRNQJSTEKJ-UHFFFAOYSA-N 0 0 187.220 1.091 10 0 ADAERN NOCCc1ccc(F)cc1F 76599577 572389750 /nfs/dbraw/zinc/38/97/50/572389750.db2.gz PDFQPZRXJPOIFX-UHFFFAOYSA-N 0 0 173.162 1.398 10 0 ADAERN CC[C@@H](CO)Cc1cccc(O)c1 87184922 572389842 /nfs/dbraw/zinc/38/98/42/572389842.db2.gz CYDPPKUPUWNTPR-SECBINFHSA-N 0 0 180.247 1.953 10 0 ADAERN CCCCC(=O)[C@@H]1C[C@@H]1CO 238227422 572392876 /nfs/dbraw/zinc/39/28/76/572392876.db2.gz OZVFTUZINKZINH-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CC(=O)C[C@H](OC(C)=O)C(C)C 238226656 572389875 /nfs/dbraw/zinc/38/98/75/572389875.db2.gz QMGWCKKCATXDTN-VIFPVBQESA-N 0 0 172.224 1.553 10 0 ADAERN COCOC(=O)C[C@H](C)C1CC1 308006262 572389878 /nfs/dbraw/zinc/38/98/78/572389878.db2.gz HGXWOJMWZVARDO-ZETCQYMHSA-N 0 0 172.224 1.570 10 0 ADAERN CCOC[S@](=O)c1ccc(N)cc1 83756534 572389882 /nfs/dbraw/zinc/38/98/82/572389882.db2.gz XWLUEGLWFIUUTC-CYBMUJFWSA-N 0 0 199.275 1.370 10 0 ADAERN [NH3+]Cc1cccc(SCC(=O)[O-])c1 238685152 572389898 /nfs/dbraw/zinc/38/98/98/572389898.db2.gz KZOINUVKKIXEDI-UHFFFAOYSA-N 0 0 197.259 1.322 10 0 ADAERN COCOC(=O)C[C@@H](C)C1CC1 308006261 572389982 /nfs/dbraw/zinc/38/99/82/572389982.db2.gz HGXWOJMWZVARDO-SSDOTTSWSA-N 0 0 172.224 1.570 10 0 ADAERN O[C@@H]1CC[C@@H]2CSCC[C@H]2C1 76599545 572390000 /nfs/dbraw/zinc/39/00/00/572390000.db2.gz UPQKTQGXPSAXNF-DJLDLDEBSA-N 0 0 172.293 1.901 10 0 ADAERN CC(C)C[C@H](C[NH+](C)C)C(=O)[O-] 87188500 572390022 /nfs/dbraw/zinc/39/00/22/572390022.db2.gz LRABPRYDANFRJN-MRVPVSSYSA-N 0 0 173.256 1.295 10 0 ADAERN O[C@@H]1[C@@H]2C=C[C@H]1[C@@H]1C=CC[C@@H]21 238701494 572390027 /nfs/dbraw/zinc/39/00/27/572390027.db2.gz ZMWMEVMAQGRUER-SPFKKGSWSA-N 0 0 148.205 1.355 10 0 ADAERN COCOc1ccc(C(N)=S)cc1 83748933 572390614 /nfs/dbraw/zinc/39/06/14/572390614.db2.gz MGHHEUDYRVWNBY-UHFFFAOYSA-N 0 0 197.259 1.304 10 0 ADAERN CCOCSc1ccc(N)cn1 83756198 572390084 /nfs/dbraw/zinc/39/00/84/572390084.db2.gz CMOGCJCKSMGYKM-UHFFFAOYSA-N 0 0 184.264 1.750 10 0 ADAERN OC[C@@H](F)COc1ccc(F)cc1 238700725 572390095 /nfs/dbraw/zinc/39/00/95/572390095.db2.gz FURGMIQPMJIHNM-MRVPVSSYSA-N 0 0 188.173 1.535 10 0 ADAERN O=C(CO)CCCOc1ccccc1 238684099 572390101 /nfs/dbraw/zinc/39/01/01/572390101.db2.gz QDNKQJSVHUJBHT-UHFFFAOYSA-N 0 0 194.230 1.407 10 0 ADAERN CCOCOc1ccc(C)cc1CO 83756269 572390135 /nfs/dbraw/zinc/39/01/35/572390135.db2.gz MNQQXTKTZZNFRO-UHFFFAOYSA-N 0 0 196.246 1.860 10 0 ADAERN CCOCSc1ccncc1N 83756196 572390167 /nfs/dbraw/zinc/39/01/67/572390167.db2.gz UHEPBIWOVRYHCY-UHFFFAOYSA-N 0 0 184.264 1.750 10 0 ADAERN CCOCOc1cccc(N)c1C 83755864 572390225 /nfs/dbraw/zinc/39/02/25/572390225.db2.gz KRNLGDHSTZCWIH-UHFFFAOYSA-N 0 0 181.235 1.950 10 0 ADAERN CC(C)C[C@H](C[NH+]1CCCC1)C(=O)[O-] 87188528 572390283 /nfs/dbraw/zinc/39/02/83/572390283.db2.gz ACSABYQTALLYTI-SNVBAGLBSA-N 0 0 199.294 1.829 10 0 ADAERN CCCCCCC(=O)NC1COC1 87196068 572390440 /nfs/dbraw/zinc/39/04/40/572390440.db2.gz JLGFPRCFZFRBJZ-UHFFFAOYSA-N 0 0 185.267 1.472 10 0 ADAERN CCOCSc1ccc(N)nc1 83756199 572390512 /nfs/dbraw/zinc/39/05/12/572390512.db2.gz UBVPIXLPOAZGOF-UHFFFAOYSA-N 0 0 184.264 1.750 10 0 ADAERN CCOCOC(=O)c1ccc(N)cc1 83756461 572390523 /nfs/dbraw/zinc/39/05/23/572390523.db2.gz ILFAPMJEHRNVHH-UHFFFAOYSA-N 0 0 195.218 1.420 10 0 ADAERN CCOCOc1ccccc1CO 83756223 572390557 /nfs/dbraw/zinc/39/05/57/572390557.db2.gz SFPVNFYGYWJXNB-UHFFFAOYSA-N 0 0 182.219 1.552 10 0 ADAERN CCOCOc1ccc(N)c(C)c1 83755851 572390701 /nfs/dbraw/zinc/39/07/01/572390701.db2.gz QKGOWLACRNCBQZ-UHFFFAOYSA-N 0 0 181.235 1.950 10 0 ADAERN COCOC(=O)c1ccc(N)cc1 83749346 572390571 /nfs/dbraw/zinc/39/05/71/572390571.db2.gz ZRTKSWSNHXUWFY-UHFFFAOYSA-N 0 0 181.191 1.030 10 0 ADAERN C[C@H](O)C[C@H]1SCCCC1=O 76600491 572390579 /nfs/dbraw/zinc/39/05/79/572390579.db2.gz NNLVAZZHXCYUNL-POYBYMJQSA-N 0 0 174.265 1.222 10 0 ADAERN COCOc1cccc([C@@H](C)O)c1 83749075 572390654 /nfs/dbraw/zinc/39/06/54/572390654.db2.gz OLBRXSGHLKSISM-MRVPVSSYSA-N 0 0 182.219 1.723 10 0 ADAERN Cn1cc(C=O)cc1-n1cccn1 76600745 572390657 /nfs/dbraw/zinc/39/06/57/572390657.db2.gz QATHXFNBMPBDPR-UHFFFAOYSA-N 0 0 175.191 1.023 10 0 ADAERN COCOc1cccc([C@H](C)O)c1 83749074 572390661 /nfs/dbraw/zinc/39/06/61/572390661.db2.gz OLBRXSGHLKSISM-QMMMGPOBSA-N 0 0 182.219 1.723 10 0 ADAERN Cn1c(C=O)ccc1-n1cccc1 76600297 572390663 /nfs/dbraw/zinc/39/06/63/572390663.db2.gz RKCJNLLAINXINF-UHFFFAOYSA-N 0 0 174.203 1.628 10 0 ADAERN CCC(=O)[C@@H]1C[C@H]1CC(=O)OC 238227341 572390677 /nfs/dbraw/zinc/39/06/77/572390677.db2.gz RZMQMZOSOSMWQP-NKWVEPMBSA-N 0 0 170.208 1.165 10 0 ADAERN C[C@@H](O)C[C@@H]1CCSCC1=O 76600515 572390695 /nfs/dbraw/zinc/39/06/95/572390695.db2.gz FBJGYZUOCUVRBY-RQJHMYQMSA-N 0 0 174.265 1.080 10 0 ADAERN CCC[C@H](OC)C1=NC(=O)CS1 308013963 572399497 /nfs/dbraw/zinc/39/94/97/572399497.db2.gz QRTAOTHDLHJNGM-LURJTMIESA-N 0 0 187.264 1.473 10 0 ADAERN Cn1cccc1-c1cc(N)cn1C 76600845 572390746 /nfs/dbraw/zinc/39/07/46/572390746.db2.gz DDJYAGJYYCXCJS-UHFFFAOYSA-N 0 0 175.235 1.613 10 0 ADAERN CCCCCC[C@H]1ON1C(N)=O 238228181 572391002 /nfs/dbraw/zinc/39/10/02/572391002.db2.gz FEDKDSRMAUIDQV-PVSHWOEXSA-N 0 0 172.228 1.609 10 0 ADAERN CCCOC(=O)[C@H](O)C(C)(C)CC 238231665 572400102 /nfs/dbraw/zinc/40/01/02/572400102.db2.gz WWHPIXHMDDERIR-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN CCc1ccc(OCOC)c(N)c1 83748419 572390836 /nfs/dbraw/zinc/39/08/36/572390836.db2.gz SOZDLOYYBLSLHL-UHFFFAOYSA-N 0 0 181.235 1.814 10 0 ADAERN C=C=C[C@](C)(O)C(=O)CCCC 238227721 572390844 /nfs/dbraw/zinc/39/08/44/572390844.db2.gz OJEXVYPZMMZADI-JTQLQIEISA-N 0 0 168.236 1.838 10 0 ADAERN CCCC(=O)CC[C@@H](C)NC(C)=O 238228148 572390852 /nfs/dbraw/zinc/39/08/52/572390852.db2.gz REICBHWGPWTKRJ-MRVPVSSYSA-N 0 0 185.267 1.660 10 0 ADAERN CCOCOc1ccc(OC)cc1N 83755850 572390886 /nfs/dbraw/zinc/39/08/86/572390886.db2.gz JRZDYDCYMDAOBK-UHFFFAOYSA-N 0 0 197.234 1.650 10 0 ADAERN CCCCCC[C@H]1C[C@H](N)C(=O)O1 238227285 572390899 /nfs/dbraw/zinc/39/08/99/572390899.db2.gz RVDSJWOQMHUQQU-IUCAKERBSA-N 0 0 185.267 1.600 10 0 ADAERN C[C@@H]1OC(C)(C)O[C@H]1/C=C\CO 206839974 572390932 /nfs/dbraw/zinc/39/09/32/572390932.db2.gz VRFCPECZFUBNHM-QLFXJFTPSA-N 0 0 172.224 1.075 10 0 ADAERN CCCCNC(=O)C[C@@H]1C=CC[C@@H]1O 238228039 572390953 /nfs/dbraw/zinc/39/09/53/572390953.db2.gz ZFGTZGYPYZMFBI-UWVGGRQHSA-N 0 0 197.278 1.230 10 0 ADAERN COCOC(=O)c1cc(N)ccc1C 83749375 572390958 /nfs/dbraw/zinc/39/09/58/572390958.db2.gz JJPZRUCAYZQQLS-UHFFFAOYSA-N 0 0 195.218 1.338 10 0 ADAERN CCc1ncc(CNC2COC2)s1 87194716 572390987 /nfs/dbraw/zinc/39/09/87/572390987.db2.gz QADFFCULCKYTBN-UHFFFAOYSA-N 0 0 198.291 1.194 10 0 ADAERN CC(C)C[C@H](C[N@@H+]1CC[C@H]1C)C(=O)[O-] 87188520 572391137 /nfs/dbraw/zinc/39/11/37/572391137.db2.gz FBNOPJUZSUDZIO-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN CCOCOc1cccc(C)c1N 83755865 572391124 /nfs/dbraw/zinc/39/11/24/572391124.db2.gz CVYOFBFPBMOWCD-UHFFFAOYSA-N 0 0 181.235 1.950 10 0 ADAERN Cn1c(C=O)cc2cc(O)ccc21 76600669 572391128 /nfs/dbraw/zinc/39/11/28/572391128.db2.gz RXAQQHCAEOHESM-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN CCC[C@H](C)Oc1nccc(N)n1 230676854 572391206 /nfs/dbraw/zinc/39/12/06/572391206.db2.gz ULFJESNZSPVOLN-ZETCQYMHSA-N 0 0 181.239 1.626 10 0 ADAERN CCC(=O)[C@@H]1CCC[S@@](=O)C1 76600542 572391279 /nfs/dbraw/zinc/39/12/79/572391279.db2.gz WQHLJIJSADIVKF-HQJQHLMTSA-N 0 0 174.265 1.124 10 0 ADAERN Cn1c(C=O)cc2ccc(N)cc21 76600320 572391292 /nfs/dbraw/zinc/39/12/92/572391292.db2.gz PLVULKJDMYELGO-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN CC[C@H](CO)Cc1cccc(O)c1 87184920 572391335 /nfs/dbraw/zinc/39/13/35/572391335.db2.gz CYDPPKUPUWNTPR-VIFPVBQESA-N 0 0 180.247 1.953 10 0 ADAERN CCOCOc1ccc(O)cc1 83756327 572391347 /nfs/dbraw/zinc/39/13/47/572391347.db2.gz IYSVFYOTYXDKKV-UHFFFAOYSA-N 0 0 168.192 1.765 10 0 ADAERN COCOC(=O)c1ccc(N)c(C)c1 83749359 572391354 /nfs/dbraw/zinc/39/13/54/572391354.db2.gz AMJDVDQURHDBRY-UHFFFAOYSA-N 0 0 195.218 1.338 10 0 ADAERN CCOC[S@@](=O)c1ccccc1N 83756523 572391362 /nfs/dbraw/zinc/39/13/62/572391362.db2.gz KXKHDFOVSOGTAA-ZDUSSCGKSA-N 0 0 199.275 1.370 10 0 ADAERN Cn1c(C=O)ccc1-c1cc[nH]c1 76600290 572391374 /nfs/dbraw/zinc/39/13/74/572391374.db2.gz XLTBNPHEPOHKCK-UHFFFAOYSA-N 0 0 174.203 1.833 10 0 ADAERN C[C@H](O)C[C@@H]1CCSCC1=O 76600509 572391407 /nfs/dbraw/zinc/39/14/07/572391407.db2.gz FBJGYZUOCUVRBY-BQBZGAKWSA-N 0 0 174.265 1.080 10 0 ADAERN CCc1ccc(CNC2COC2)o1 87194785 572391408 /nfs/dbraw/zinc/39/14/08/572391408.db2.gz VVWIJKPXGZAIBU-UHFFFAOYSA-N 0 0 181.235 1.330 10 0 ADAERN CCC(=O)[C@@H]1C[C@@H]1CC(=O)OC 238227112 572391421 /nfs/dbraw/zinc/39/14/21/572391421.db2.gz RZMQMZOSOSMWQP-RNFRBKRXSA-N 0 0 170.208 1.165 10 0 ADAERN CCCCOCC[C@@H](CC)C(N)=O 238227999 572391437 /nfs/dbraw/zinc/39/14/37/572391437.db2.gz OPZKQOVVMDNOSL-SECBINFHSA-N 0 0 187.283 1.705 10 0 ADAERN CCOCSc1ncccc1N 83756197 572391466 /nfs/dbraw/zinc/39/14/66/572391466.db2.gz KDIDOAOZRXDJPP-UHFFFAOYSA-N 0 0 184.264 1.750 10 0 ADAERN CCCCOCC[C@H](CC)C(N)=O 238228381 572393096 /nfs/dbraw/zinc/39/30/96/572393096.db2.gz OPZKQOVVMDNOSL-VIFPVBQESA-N 0 0 187.283 1.705 10 0 ADAERN CC(C)C[C@@H](C[NH+]1CCCC1)C(=O)[O-] 87188526 572391479 /nfs/dbraw/zinc/39/14/79/572391479.db2.gz ACSABYQTALLYTI-JTQLQIEISA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)C[C@H](C[NH+]1CC(C)C1)C(=O)[O-] 87188494 572391484 /nfs/dbraw/zinc/39/14/84/572391484.db2.gz RAMYFWBROIXEGO-SNVBAGLBSA-N 0 0 199.294 1.685 10 0 ADAERN CCCC(O)=CC(=O)CC[C@H](C)O 238227034 572391523 /nfs/dbraw/zinc/39/15/23/572391523.db2.gz MNNFUFQTXJFCLE-QMMMGPOBSA-N 0 0 186.251 1.476 10 0 ADAERN CCOCOc1cc(N)ccc1OC 83755856 572391524 /nfs/dbraw/zinc/39/15/24/572391524.db2.gz SLIFFAFENMOYFL-UHFFFAOYSA-N 0 0 197.234 1.650 10 0 ADAERN Cn1ccc(N)c1Br 76600612 572391539 /nfs/dbraw/zinc/39/15/39/572391539.db2.gz KSPOZRCKHODQBM-UHFFFAOYSA-N 0 0 175.029 1.370 10 0 ADAERN CCCCCC[C@@H]1C=C(NC)C(=O)O1 238227882 572391585 /nfs/dbraw/zinc/39/15/85/572391585.db2.gz PXFZTLZVFNUYMR-SECBINFHSA-N 0 0 197.278 1.986 10 0 ADAERN CC[C@@H](O)CS[C@@H]1CCO[C@H]1C 308007145 572391600 /nfs/dbraw/zinc/39/16/00/572391600.db2.gz DOYRYXYKEDTJMM-DJLDLDEBSA-N 0 0 190.308 1.668 10 0 ADAERN COCOc1ccc(C)cc1CO 83749103 572391619 /nfs/dbraw/zinc/39/16/19/572391619.db2.gz DFTPLWSYYMPREI-UHFFFAOYSA-N 0 0 182.219 1.470 10 0 ADAERN COCOc1c(C)cc(CO)cc1C 83749061 572391653 /nfs/dbraw/zinc/39/16/53/572391653.db2.gz HOZSZDBSHZOQBT-UHFFFAOYSA-N 0 0 196.246 1.778 10 0 ADAERN CCN(C)C(=O)CCC[C@H](C)O 308007592 572391664 /nfs/dbraw/zinc/39/16/64/572391664.db2.gz DTFZBESDCXVXHU-QMMMGPOBSA-N 0 0 173.256 1.016 10 0 ADAERN CC[C@@H](O)CS[C@H]1CCO[C@H]1C 308007147 572391714 /nfs/dbraw/zinc/39/17/14/572391714.db2.gz DOYRYXYKEDTJMM-YIZRAAEISA-N 0 0 190.308 1.668 10 0 ADAERN CCCCC(=O)[C@@H]1C[C@H]1CO 238227501 572391715 /nfs/dbraw/zinc/39/17/15/572391715.db2.gz OZVFTUZINKZINH-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN CCOCOc1ccc(N)cc1F 83755861 572391716 /nfs/dbraw/zinc/39/17/16/572391716.db2.gz AJYWDJAMCMTZMC-UHFFFAOYSA-N 0 0 185.198 1.781 10 0 ADAERN CCCCC(=O)[C@@H]1C[C@@H]1OC 238227457 572391771 /nfs/dbraw/zinc/39/17/71/572391771.db2.gz FRRZSORFQDTSIZ-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN CCCn1ncc(SCC)c1N 87196249 572391797 /nfs/dbraw/zinc/39/17/97/572391797.db2.gz RPORNXSQKHSJNK-UHFFFAOYSA-N 0 0 185.296 1.987 10 0 ADAERN CCc1nc(CNC2COC2)cs1 87195170 572391813 /nfs/dbraw/zinc/39/18/13/572391813.db2.gz NJUOMRDZBNPLMN-UHFFFAOYSA-N 0 0 198.291 1.194 10 0 ADAERN Cn1ccc2c(N)c(C=O)ccc21 76600315 572391837 /nfs/dbraw/zinc/39/18/37/572391837.db2.gz OUWMKSOACZDPLV-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN Cn1c(C=O)cc2ccc(O)cc21 76600712 572392944 /nfs/dbraw/zinc/39/29/44/572392944.db2.gz BDJSCSOFNYDBKI-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN CCC(=O)[C@@](C)(CC)OC(C)=O 238228516 572391852 /nfs/dbraw/zinc/39/18/52/572391852.db2.gz ABMSRAKDBNIWSO-SECBINFHSA-N 0 0 172.224 1.697 10 0 ADAERN CCOCOc1ccc(N)c(F)c1 83755873 572391858 /nfs/dbraw/zinc/39/18/58/572391858.db2.gz YBKBGKNRUMUJNC-UHFFFAOYSA-N 0 0 185.198 1.781 10 0 ADAERN CN(C)c1cccc2[nH]cc(N)c12 76600840 572391859 /nfs/dbraw/zinc/39/18/59/572391859.db2.gz XCKUOMXFIUOOHQ-UHFFFAOYSA-N 0 0 175.235 1.816 10 0 ADAERN CONC(=O)N(C(C)C)C1CC1 308007907 572391862 /nfs/dbraw/zinc/39/18/62/572391862.db2.gz IZJXRXKEZDVVQN-UHFFFAOYSA-N 0 0 172.228 1.130 10 0 ADAERN CCCCC(=O)[C@H](C)[C@H](C)O 238228235 572391870 /nfs/dbraw/zinc/39/18/70/572391870.db2.gz KOGVMFGIHCODIG-SFYZADRCSA-N 0 0 158.241 1.763 10 0 ADAERN CCC(=O)[C@@H]1CCC[S@](=O)C1 76600548 572391884 /nfs/dbraw/zinc/39/18/84/572391884.db2.gz WQHLJIJSADIVKF-RDDDGLTNSA-N 0 0 174.265 1.124 10 0 ADAERN COCOC(=O)c1c(C)cccc1N 83749377 572391888 /nfs/dbraw/zinc/39/18/88/572391888.db2.gz RORXRJIATVLOSR-UHFFFAOYSA-N 0 0 195.218 1.338 10 0 ADAERN CCOCOc1ccccc1N 83755849 572391916 /nfs/dbraw/zinc/39/19/16/572391916.db2.gz VBCSIFGMCQLXIY-UHFFFAOYSA-N 0 0 167.208 1.642 10 0 ADAERN C/C=C\CS[C@@H](C)C(=O)NCC 308008067 572391920 /nfs/dbraw/zinc/39/19/20/572391920.db2.gz DZKBNAPUKYTUML-HORMHSFOSA-N 0 0 187.308 1.820 10 0 ADAERN C[C@H](CC(=O)NC1COC1)C(C)(C)C 87195990 572391928 /nfs/dbraw/zinc/39/19/28/572391928.db2.gz UZBGAQCXJGXSDF-MRVPVSSYSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1nc(C)c2c(C=O)c[nH]c2n1 76600724 572391980 /nfs/dbraw/zinc/39/19/80/572391980.db2.gz JPNDWKKEXTXVIF-UHFFFAOYSA-N 0 0 175.191 1.387 10 0 ADAERN COCOc1ccc(C)cc1C=O 83748988 572391982 /nfs/dbraw/zinc/39/19/82/572391982.db2.gz OTJOPIGTFBORSJ-UHFFFAOYSA-N 0 0 180.203 1.790 10 0 ADAERN Cn1cc(C=O)cc1-n1cccc1 76600295 572391991 /nfs/dbraw/zinc/39/19/91/572391991.db2.gz LWWDPNWASURESV-UHFFFAOYSA-N 0 0 174.203 1.628 10 0 ADAERN Cn1cccc1-c1ncncc1N 76600343 572392033 /nfs/dbraw/zinc/39/20/33/572392033.db2.gz BSWJCDUDHASELN-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCCn1ncnc1C(=O)CC 308008027 572392035 /nfs/dbraw/zinc/39/20/35/572392035.db2.gz NQAQKDOOMNXHFZ-UHFFFAOYSA-N 0 0 167.212 1.281 10 0 ADAERN CC(C)C[C@@H](C[NH+](C)C)C(=O)[O-] 87188498 572392045 /nfs/dbraw/zinc/39/20/45/572392045.db2.gz LRABPRYDANFRJN-QMMMGPOBSA-N 0 0 173.256 1.295 10 0 ADAERN CCC[C@H](CC[C@@H](C)O)OC 238227455 572392047 /nfs/dbraw/zinc/39/20/47/572392047.db2.gz KLQWQIMQGRBGPH-RKDXNWHRSA-N 0 0 160.257 1.963 10 0 ADAERN CCOCOc1ccccc1O 83756328 572392053 /nfs/dbraw/zinc/39/20/53/572392053.db2.gz MESVUSYCCWAPMM-UHFFFAOYSA-N 0 0 168.192 1.765 10 0 ADAERN C/C=C\[C@H](O)[C@H](CC)C(=O)OC 308007263 572392055 /nfs/dbraw/zinc/39/20/55/572392055.db2.gz DTFMHCWETIHROC-RGGFDPLPSA-N 0 0 172.224 1.123 10 0 ADAERN CN(C)c1cccc2c(N)c[nH]c12 76600834 572392056 /nfs/dbraw/zinc/39/20/56/572392056.db2.gz JGQHJRIJDJCCLN-UHFFFAOYSA-N 0 0 175.235 1.816 10 0 ADAERN CCCC(=O)CC[C@H](C)NC(C)=O 238228341 572392067 /nfs/dbraw/zinc/39/20/67/572392067.db2.gz REICBHWGPWTKRJ-QMMMGPOBSA-N 0 0 185.267 1.660 10 0 ADAERN COCOc1ccccc1[C@H](C)O 83749072 572392075 /nfs/dbraw/zinc/39/20/75/572392075.db2.gz KHGJGWRAKJSILP-QMMMGPOBSA-N 0 0 182.219 1.723 10 0 ADAERN Cn1c(C=O)ccc1-c1cc[nH]n1 76600737 572392078 /nfs/dbraw/zinc/39/20/78/572392078.db2.gz IDNLOXVFFVZXQH-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN C[C@@H](O)C[C@@H]1CSCCC1=O 76600484 572392961 /nfs/dbraw/zinc/39/29/61/572392961.db2.gz SMIPXOJMSJNRFL-RNFRBKRXSA-N 0 0 174.265 1.080 10 0 ADAERN CC[C@@H](NC1COC1)c1ccco1 87194430 572392082 /nfs/dbraw/zinc/39/20/82/572392082.db2.gz COLTYSWSAVNXKH-SECBINFHSA-N 0 0 181.235 1.719 10 0 ADAERN Cn1c(C=O)cc2cccc(N)c21 76600325 572392092 /nfs/dbraw/zinc/39/20/92/572392092.db2.gz QAMVAUBEHBNVKH-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN COCOC(=O)c1ccc(F)c(N)c1 83749366 572392097 /nfs/dbraw/zinc/39/20/97/572392097.db2.gz UEOBKNKKTROSCX-UHFFFAOYSA-N 0 0 199.181 1.169 10 0 ADAERN CCO[C@@H](CO)C1CCCCC1 308007218 572392117 /nfs/dbraw/zinc/39/21/17/572392117.db2.gz DRBPJEDUVJFCFD-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CCN(C)C(=O)/C=C\C1CCC1 308007479 572392121 /nfs/dbraw/zinc/39/21/21/572392121.db2.gz INRONEUSWNUQCP-FPLPWBNLSA-N 0 0 167.252 1.821 10 0 ADAERN COCOc1ccccc1[C@@H](C)O 83749073 572392141 /nfs/dbraw/zinc/39/21/41/572392141.db2.gz KHGJGWRAKJSILP-MRVPVSSYSA-N 0 0 182.219 1.723 10 0 ADAERN CN(C)c1ccc2c(N)c[nH]c2c1 76600837 572392151 /nfs/dbraw/zinc/39/21/51/572392151.db2.gz XBLDKLMZOJGFPQ-UHFFFAOYSA-N 0 0 175.235 1.816 10 0 ADAERN Cn1c(C=O)cc2c(O)cccc21 76600709 572392164 /nfs/dbraw/zinc/39/21/64/572392164.db2.gz NEKVZLXZAORUHK-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Cn1ccc(-c2cc(C=O)n[nH]2)c1 76600741 572392188 /nfs/dbraw/zinc/39/21/88/572392188.db2.gz AUNQPDJTSSYECR-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN C[C@@H](O)C[C@H]1CCSCC1=O 76600523 572392969 /nfs/dbraw/zinc/39/29/69/572392969.db2.gz FBJGYZUOCUVRBY-RNFRBKRXSA-N 0 0 174.265 1.080 10 0 ADAERN COCOC(=O)c1cccc(C)c1N 83749373 572392252 /nfs/dbraw/zinc/39/22/52/572392252.db2.gz ZGIQPSDOUGWCHX-UHFFFAOYSA-N 0 0 195.218 1.338 10 0 ADAERN COCOC(=O)c1cc(F)ccc1N 83749385 572392287 /nfs/dbraw/zinc/39/22/87/572392287.db2.gz OPKYSPKRSFEOSV-UHFFFAOYSA-N 0 0 199.181 1.169 10 0 ADAERN CCC[S@@](N)(=O)=NCC1CC1 404864524 572392325 /nfs/dbraw/zinc/39/23/25/572392325.db2.gz YYGCKLRSAGIDKI-NSHDSACASA-N 0 0 176.285 1.148 10 0 ADAERN CCC[C@H](CCO)CC(C)(C)O 238226926 572392332 /nfs/dbraw/zinc/39/23/32/572392332.db2.gz DABFCGFNNNBCBI-SECBINFHSA-N 0 0 174.284 1.946 10 0 ADAERN C[C@@H](O)C[C@H]1SCCCC1=O 76600496 572392343 /nfs/dbraw/zinc/39/23/43/572392343.db2.gz NNLVAZZHXCYUNL-HTRCEHHLSA-N 0 0 174.265 1.222 10 0 ADAERN CCOC[S@](=O)c1ccccc1N 83756524 572392359 /nfs/dbraw/zinc/39/23/59/572392359.db2.gz KXKHDFOVSOGTAA-CYBMUJFWSA-N 0 0 199.275 1.370 10 0 ADAERN C/C=C/[C@@H](O)CC(=O)N(CC)CC 238227653 572392374 /nfs/dbraw/zinc/39/23/74/572392374.db2.gz CEQVPWVANGWRLE-ILFKPUCNSA-N 0 0 185.267 1.182 10 0 ADAERN CC[C@@H](CO)Cc1ccc(O)cc1 87184918 572392399 /nfs/dbraw/zinc/39/23/99/572392399.db2.gz XTVZARPOHURESV-SECBINFHSA-N 0 0 180.247 1.953 10 0 ADAERN CCCCCC[C@H]1C[C@@H](O)OC1=O 238227058 572392416 /nfs/dbraw/zinc/39/24/16/572392416.db2.gz UAAZTEZBGNOSIL-IUCAKERBSA-N 0 0 186.251 1.838 10 0 ADAERN CCN(C)C(=O)/C=C/C1CCC1 308007477 572392441 /nfs/dbraw/zinc/39/24/41/572392441.db2.gz INRONEUSWNUQCP-BQYQJAHWSA-N 0 0 167.252 1.821 10 0 ADAERN Cn1ccc(N)c1Cc1cc[nH]c1 76600852 572392450 /nfs/dbraw/zinc/39/24/50/572392450.db2.gz HSYCGCGDAVPWCC-UHFFFAOYSA-N 0 0 175.235 1.526 10 0 ADAERN C/C=C/CS[C@@H](C)C(=O)NCC 308008072 572392983 /nfs/dbraw/zinc/39/29/83/572392983.db2.gz DZKBNAPUKYTUML-JQTRYQTASA-N 0 0 187.308 1.820 10 0 ADAERN CCc1noc([C@@H](CC)OC)n1 308006707 572392459 /nfs/dbraw/zinc/39/24/59/572392459.db2.gz DMCMYOVGVRWUKG-ZCFIWIBFSA-N 0 0 170.212 1.730 10 0 ADAERN COCOC(=O)c1ccc(N)cc1C 83749396 572392470 /nfs/dbraw/zinc/39/24/70/572392470.db2.gz VZZWLMOZOAHVJP-UHFFFAOYSA-N 0 0 195.218 1.338 10 0 ADAERN C/C=C/COC(=O)[C@@H](C)COC 308007451 572392480 /nfs/dbraw/zinc/39/24/80/572392480.db2.gz IMCJQWPPVAHULL-ZJELKQJVSA-N 0 0 172.224 1.388 10 0 ADAERN Cc1ncnc2c(C=O)cn(C)c12 76600731 572392505 /nfs/dbraw/zinc/39/25/05/572392505.db2.gz YPESLFKAZXOVEG-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN Cn1c(C=O)ccc1-n1cccn1 76600747 572392523 /nfs/dbraw/zinc/39/25/23/572392523.db2.gz KSGRRZVLAMMSBM-UHFFFAOYSA-N 0 0 175.191 1.023 10 0 ADAERN CCC(=O)[C@H]1CCC[S@](=O)C1 76600552 572392543 /nfs/dbraw/zinc/39/25/43/572392543.db2.gz WQHLJIJSADIVKF-WRWORJQWSA-N 0 0 174.265 1.124 10 0 ADAERN CCCSc1cnn(CC)c1N 87196245 572392985 /nfs/dbraw/zinc/39/29/85/572392985.db2.gz GVFDVPDMOGBBEK-UHFFFAOYSA-N 0 0 185.296 1.987 10 0 ADAERN C/C=C/[C@@H](O)CC(=O)OCCC 238228423 572392575 /nfs/dbraw/zinc/39/25/75/572392575.db2.gz JPRFHPVGYIDASG-RYEJSQLPSA-N 0 0 172.224 1.267 10 0 ADAERN Cn1ccc(N)c1-c1ccncn1 76600338 572392597 /nfs/dbraw/zinc/39/25/97/572392597.db2.gz DFZDYGHYDFQWDR-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN COCOc1cc(CO)ccc1OC 83749058 572392602 /nfs/dbraw/zinc/39/26/02/572392602.db2.gz ZNBUNYBWBOMGEG-UHFFFAOYSA-N 0 0 198.218 1.170 10 0 ADAERN CC(C)C[C@@H](C[NH+]1CC(C)C1)C(=O)[O-] 87188496 572392610 /nfs/dbraw/zinc/39/26/10/572392610.db2.gz RAMYFWBROIXEGO-JTQLQIEISA-N 0 0 199.294 1.685 10 0 ADAERN Cn1cc(N)cc1-c1ccncn1 76600335 572392618 /nfs/dbraw/zinc/39/26/18/572392618.db2.gz QYJHUOAODVXOGF-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCCC(O)=CC(=O)CC[C@@H](C)O 238227022 572392636 /nfs/dbraw/zinc/39/26/36/572392636.db2.gz MNNFUFQTXJFCLE-MRVPVSSYSA-N 0 0 186.251 1.476 10 0 ADAERN Cc1nc2cc(C=O)[nH]c2nc1C 76600720 572392653 /nfs/dbraw/zinc/39/26/53/572392653.db2.gz ZQDLWNBAUYJBEB-UHFFFAOYSA-N 0 0 175.191 1.387 10 0 ADAERN Cc1ncc2c(C=O)cn(C)c2n1 76600726 572392664 /nfs/dbraw/zinc/39/26/64/572392664.db2.gz GGXHQKDWWAGOFX-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN C/C=C/[C@H](O)CC(=O)OCCC 238228126 572392673 /nfs/dbraw/zinc/39/26/73/572392673.db2.gz JPRFHPVGYIDASG-WGAJWPLOSA-N 0 0 172.224 1.267 10 0 ADAERN CCCOC(=O)C1=C[C@H](O)CC1 238227123 572392678 /nfs/dbraw/zinc/39/26/78/572392678.db2.gz LEPBNQXFECVIFX-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN CCCCNC(=O)C[C@H]1C=CC[C@@H]1O 238228210 572392696 /nfs/dbraw/zinc/39/26/96/572392696.db2.gz ZFGTZGYPYZMFBI-ZJUUUORDSA-N 0 0 197.278 1.230 10 0 ADAERN CCOCOc1cc(C)ccc1N 83755854 572392726 /nfs/dbraw/zinc/39/27/26/572392726.db2.gz WQFDCSCOEGAJPR-UHFFFAOYSA-N 0 0 181.235 1.950 10 0 ADAERN CCCCC(=O)[C@H](C)[C@@H](C)O 238228204 572392728 /nfs/dbraw/zinc/39/27/28/572392728.db2.gz KOGVMFGIHCODIG-HTQZYQBOSA-N 0 0 158.241 1.763 10 0 ADAERN CCCCC(=O)[C@@H]1C[C@H]1OC 238227521 572392737 /nfs/dbraw/zinc/39/27/37/572392737.db2.gz FRRZSORFQDTSIZ-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN C/C=C/[C@H](O)[C@@H](CC)C(=O)OC 308007264 572392771 /nfs/dbraw/zinc/39/27/71/572392771.db2.gz DTFMHCWETIHROC-SLQBNDFVSA-N 0 0 172.224 1.123 10 0 ADAERN CCOCOc1cccnc1N 83755858 572392791 /nfs/dbraw/zinc/39/27/91/572392791.db2.gz BQFXYGCAJPAMMH-UHFFFAOYSA-N 0 0 168.196 1.037 10 0 ADAERN CCONCc1cccc(O)c1 87185355 572392991 /nfs/dbraw/zinc/39/29/91/572392991.db2.gz QCVFJKQFBJTOBT-UHFFFAOYSA-N 0 0 167.208 1.433 10 0 ADAERN CCC(=O)[C@H]1CCC[S@@](=O)C1 76600547 572392800 /nfs/dbraw/zinc/39/28/00/572392800.db2.gz WQHLJIJSADIVKF-CPCISQLKSA-N 0 0 174.265 1.124 10 0 ADAERN Cn1ccc(N)c1-c1cncnc1 76600340 572392819 /nfs/dbraw/zinc/39/28/19/572392819.db2.gz HBZHLOOXPKXWOQ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1c(C=O)cc2cc(N)ccc21 76600318 572392841 /nfs/dbraw/zinc/39/28/41/572392841.db2.gz LGRFFLYCUOUVDI-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN Cc1ncnc2c1c(C=O)cn2C 76600722 572392848 /nfs/dbraw/zinc/39/28/48/572392848.db2.gz AGZZQIGPCFUHNV-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN CCCCCC[C@H]1C[C@@H](N)C(=O)O1 238227005 572392892 /nfs/dbraw/zinc/39/28/92/572392892.db2.gz RVDSJWOQMHUQQU-DTWKUNHWSA-N 0 0 185.267 1.600 10 0 ADAERN C/C=C\COC(=O)[C@@H](C)COC 308007448 572392909 /nfs/dbraw/zinc/39/29/09/572392909.db2.gz IMCJQWPPVAHULL-LGYSABEFSA-N 0 0 172.224 1.388 10 0 ADAERN C[C@@H]1C(=O)Nc2ccc(C=O)cc21 76600690 572392911 /nfs/dbraw/zinc/39/29/11/572392911.db2.gz WLPZGSLCFKPVGU-LURJTMIESA-N 0 0 175.187 1.555 10 0 ADAERN C[C@@H](O)C[C@H]1CSCCC1=O 76600489 572392941 /nfs/dbraw/zinc/39/29/41/572392941.db2.gz SMIPXOJMSJNRFL-RQJHMYQMSA-N 0 0 174.265 1.080 10 0 ADAERN CCCCNC(=O)C[C@H]1C=CC[C@H]1O 238228221 572392914 /nfs/dbraw/zinc/39/29/14/572392914.db2.gz ZFGTZGYPYZMFBI-NXEZZACHSA-N 0 0 197.278 1.230 10 0 ADAERN Cn1ccc2ccc(C=O)c(N)c21 76600312 572393013 /nfs/dbraw/zinc/39/30/13/572393013.db2.gz BJQOANAFHMKROI-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN COC(=O)/C=C(/C)CC/C=C\CO 206806220 572393063 /nfs/dbraw/zinc/39/30/63/572393063.db2.gz BTFOVQPKFWTHCS-MLBMHQFOSA-N 0 0 184.235 1.434 10 0 ADAERN C/C=C/[C@H](O)CC(=O)N(CC)CC 238227493 572393076 /nfs/dbraw/zinc/39/30/76/572393076.db2.gz CEQVPWVANGWRLE-IYNCYZAOSA-N 0 0 185.267 1.182 10 0 ADAERN CCC[C@H](CCO)n1cccn1 238227193 572393089 /nfs/dbraw/zinc/39/30/89/572393089.db2.gz JFSKVDCVBRCHPW-SECBINFHSA-N 0 0 168.240 1.607 10 0 ADAERN C[C@H](O)C[C@H]1CSCCC1=O 76600487 572393092 /nfs/dbraw/zinc/39/30/92/572393092.db2.gz SMIPXOJMSJNRFL-BQBZGAKWSA-N 0 0 174.265 1.080 10 0 ADAERN CC[C@H](F)CS[C@H]1CCNC1=O 308006910 572393104 /nfs/dbraw/zinc/39/31/04/572393104.db2.gz HYQDQSBAEQKNQE-BQBZGAKWSA-N 0 0 191.271 1.356 10 0 ADAERN C=C/C=C\CCC(=O)C[C@@H](O)C(C)=O 210526901 572393131 /nfs/dbraw/zinc/39/31/31/572393131.db2.gz YQCWEUVJBQLESK-DOGVGXBMSA-N 0 0 196.246 1.418 10 0 ADAERN Cc1ncc2c(n1)c(C=O)cn2C 76600733 572393139 /nfs/dbraw/zinc/39/31/39/572393139.db2.gz SGMBDDAIXCCDQL-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN C/C=C\C(=O)O[C@@H]1CCC[C@H]1O 308006870 572393161 /nfs/dbraw/zinc/39/31/61/572393161.db2.gz MMKOBZLMDPCZSO-CVIXOHNVSA-N 0 0 170.208 1.019 10 0 ADAERN C/C=C/[C@H](O)[C@H](CC)C(=O)OC 308007260 572393166 /nfs/dbraw/zinc/39/31/66/572393166.db2.gz DTFMHCWETIHROC-ICLDZVTRSA-N 0 0 172.224 1.123 10 0 ADAERN Cn1ccc(Cc2[nH]ccc2N)c1 76600849 572393170 /nfs/dbraw/zinc/39/31/70/572393170.db2.gz BTXTVRQKLQBODJ-UHFFFAOYSA-N 0 0 175.235 1.526 10 0 ADAERN C[C@H](O)C[C@@H]1CSCCC1=O 76600481 572393174 /nfs/dbraw/zinc/39/31/74/572393174.db2.gz SMIPXOJMSJNRFL-NKWVEPMBSA-N 0 0 174.265 1.080 10 0 ADAERN Cn1c(C=O)ccc1-c1cn[nH]c1 76600756 572393250 /nfs/dbraw/zinc/39/32/50/572393250.db2.gz YKGLCDWQVLDTSO-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN Cn1ccc(-c2ccc(C=O)[nH]2)c1 76600286 572393280 /nfs/dbraw/zinc/39/32/80/572393280.db2.gz KNZSMKJUNABUMP-UHFFFAOYSA-N 0 0 174.203 1.833 10 0 ADAERN CC[C@H](NC1COC1)c1ccco1 87194429 572393293 /nfs/dbraw/zinc/39/32/93/572393293.db2.gz COLTYSWSAVNXKH-VIFPVBQESA-N 0 0 181.235 1.719 10 0 ADAERN C[C@H](O)C[C@H]1CCSCC1=O 76600519 572393315 /nfs/dbraw/zinc/39/33/15/572393315.db2.gz FBJGYZUOCUVRBY-NKWVEPMBSA-N 0 0 174.265 1.080 10 0 ADAERN CCCCn1ncc(SC)c1N 87196152 572393355 /nfs/dbraw/zinc/39/33/55/572393355.db2.gz JKBWHANZSUWKNU-UHFFFAOYSA-N 0 0 185.296 1.987 10 0 ADAERN Cn1c(C=O)cc2cccc(O)c21 76600706 572393483 /nfs/dbraw/zinc/39/34/83/572393483.db2.gz MTJLRRNKAZHGGC-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN CCCOC(=O)C1=C[C@@H](O)CC1 238227109 572393442 /nfs/dbraw/zinc/39/34/42/572393442.db2.gz LEPBNQXFECVIFX-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN CC[C@@H](F)CS[C@@H]1CCNC1=O 308006914 572393456 /nfs/dbraw/zinc/39/34/56/572393456.db2.gz HYQDQSBAEQKNQE-RNFRBKRXSA-N 0 0 191.271 1.356 10 0 ADAERN C[C@@H](O)C[C@@H]1SCCCC1=O 76600504 572393490 /nfs/dbraw/zinc/39/34/90/572393490.db2.gz NNLVAZZHXCYUNL-SVRRBLITSA-N 0 0 174.265 1.222 10 0 ADAERN C[C@H](O)C[C@@H]1SCCCC1=O 76600499 572393500 /nfs/dbraw/zinc/39/35/00/572393500.db2.gz NNLVAZZHXCYUNL-XPUUQOCRSA-N 0 0 174.265 1.222 10 0 ADAERN Cc1nccn1-c1cc(N)cn1C 76601480 572394442 /nfs/dbraw/zinc/39/44/42/572394442.db2.gz STTSHBLBBNXVCS-UHFFFAOYSA-N 0 0 176.223 1.101 10 0 ADAERN CCCC(=O)CCCC(=O)NC 238227671 572393558 /nfs/dbraw/zinc/39/35/58/572393558.db2.gz BCRAKDMAVIBOPH-UHFFFAOYSA-N 0 0 171.240 1.272 10 0 ADAERN C/C=C\COC(=O)[C@H](C)COC 308007449 572393561 /nfs/dbraw/zinc/39/35/61/572393561.db2.gz IMCJQWPPVAHULL-PULIVWKDSA-N 0 0 172.224 1.388 10 0 ADAERN Cn1cc(N)cc1Br 76600616 572393564 /nfs/dbraw/zinc/39/35/64/572393564.db2.gz OHNJLQQSTAFIIH-UHFFFAOYSA-N 0 0 175.029 1.370 10 0 ADAERN CCCc1nc(CC)c(C[NH2+]C)o1 238226756 572394448 /nfs/dbraw/zinc/39/44/48/572394448.db2.gz JTFOVSLTOXSYRM-UHFFFAOYSA-N 0 0 182.267 1.909 10 0 ADAERN Cn1c(C=O)cc2c(N)cccc21 76600322 572393584 /nfs/dbraw/zinc/39/35/84/572393584.db2.gz CBVSJWMVEZBTQY-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN COC(=O)/C=C(\C)CC/C=C/CO 206806251 572393588 /nfs/dbraw/zinc/39/35/88/572393588.db2.gz BTFOVQPKFWTHCS-YEQUJYSKSA-N 0 0 184.235 1.434 10 0 ADAERN O=C1CC[NH2+]C[C@H]1CCCCF 308007165 572393603 /nfs/dbraw/zinc/39/36/03/572393603.db2.gz DPJQOTPYDNHXFH-MRVPVSSYSA-N 0 0 173.231 1.305 10 0 ADAERN CC(=O)CC[C@H](C(N)=O)C(C)C 238227850 572393650 /nfs/dbraw/zinc/39/36/50/572393650.db2.gz HIKMYUYGGNUHKV-QMMMGPOBSA-N 0 0 171.240 1.113 10 0 ADAERN CCCCC(=O)[C@@H]1CCC[C@@H](O)O1 238227305 572393656 /nfs/dbraw/zinc/39/36/56/572393656.db2.gz FHLXDJQPBLGDNY-UWVGGRQHSA-N 0 0 186.251 1.633 10 0 ADAERN CCCCCC[C@H]1C[C@H](O)OC1=O 238227329 572393661 /nfs/dbraw/zinc/39/36/61/572393661.db2.gz UAAZTEZBGNOSIL-DTWKUNHWSA-N 0 0 186.251 1.838 10 0 ADAERN Cn1cc(C=O)c2cccc(O)c21 76600666 572393692 /nfs/dbraw/zinc/39/36/92/572393692.db2.gz CXNNMVLALOQMFW-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN CCN(C(C)=O)C(C)(C)C(C)=O 238228102 572393697 /nfs/dbraw/zinc/39/36/97/572393697.db2.gz XWTYGICPRGPURF-UHFFFAOYSA-N 0 0 171.240 1.222 10 0 ADAERN CCC(CC)n1nncc1CO 308007724 572393704 /nfs/dbraw/zinc/39/37/04/572393704.db2.gz DWOAUSJCJBIUBS-UHFFFAOYSA-N 0 0 169.228 1.132 10 0 ADAERN CC[C@H](C)CC(=O)N1CCSC1 308007102 572393717 /nfs/dbraw/zinc/39/37/17/572393717.db2.gz DNGVYAFAEQVLBX-QMMMGPOBSA-N 0 0 187.308 1.956 10 0 ADAERN CCC[C@H](CC[C@H](C)O)OC 238227583 572393720 /nfs/dbraw/zinc/39/37/20/572393720.db2.gz KLQWQIMQGRBGPH-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN CCCCC(=O)[C@@H]1CCC[C@H](O)O1 238227330 572393724 /nfs/dbraw/zinc/39/37/24/572393724.db2.gz FHLXDJQPBLGDNY-VHSXEESVSA-N 0 0 186.251 1.633 10 0 ADAERN C/C=C\[C@H](O)[C@@H](CC)C(=O)OC 308007267 572393725 /nfs/dbraw/zinc/39/37/25/572393725.db2.gz DTFMHCWETIHROC-VMMSMWDISA-N 0 0 172.224 1.123 10 0 ADAERN O=C1CC[NH2+]C[C@@H]1CCCCF 308007166 572393738 /nfs/dbraw/zinc/39/37/38/572393738.db2.gz DPJQOTPYDNHXFH-QMMMGPOBSA-N 0 0 173.231 1.305 10 0 ADAERN Cc1nc2[nH]cc(C=O)c2nc1C 76600718 572393754 /nfs/dbraw/zinc/39/37/54/572393754.db2.gz HRSGXFOGZXMKII-UHFFFAOYSA-N 0 0 175.191 1.387 10 0 ADAERN CCC(CC)C[C@@H](N)C(=O)OC 44327014 572393763 /nfs/dbraw/zinc/39/37/63/572393763.db2.gz RQHJPGFOLFLDRC-MRVPVSSYSA-N 0 0 173.256 1.313 10 0 ADAERN CCN(C)C(=O)CCC[C@@H](C)O 308007270 572393781 /nfs/dbraw/zinc/39/37/81/572393781.db2.gz DTFZBESDCXVXHU-MRVPVSSYSA-N 0 0 173.256 1.016 10 0 ADAERN CCCC(=O)CCC(=O)NCC 238227571 572393799 /nfs/dbraw/zinc/39/37/99/572393799.db2.gz ILTCLVTVAKYZBI-UHFFFAOYSA-N 0 0 171.240 1.272 10 0 ADAERN CC[C@@H](C)CC(=O)N1CCSC1 308007100 572393803 /nfs/dbraw/zinc/39/38/03/572393803.db2.gz DNGVYAFAEQVLBX-MRVPVSSYSA-N 0 0 187.308 1.956 10 0 ADAERN CCCCNC(=O)C[C@@H]1C=CC[C@H]1O 238228053 572393816 /nfs/dbraw/zinc/39/38/16/572393816.db2.gz ZFGTZGYPYZMFBI-VHSXEESVSA-N 0 0 197.278 1.230 10 0 ADAERN COCCOC(=O)CSC(C)C 308006941 572393835 /nfs/dbraw/zinc/39/38/35/572393835.db2.gz IBFBLEUZOVSCGW-UHFFFAOYSA-N 0 0 192.280 1.318 10 0 ADAERN Cc1c(C=O)[nH]c2c(O)cccc12 76600677 572393846 /nfs/dbraw/zinc/39/38/46/572393846.db2.gz WGIXHAPFHHADFC-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN CCC(=O)O/C=C\[C@@H](O)C(C)C 308006764 572393887 /nfs/dbraw/zinc/39/38/87/572393887.db2.gz DMVBLRIDQXLDCC-RPSMYOMKSA-N 0 0 172.224 1.470 10 0 ADAERN Cn1cc(C=O)cc1-n1ccnc1 76600753 572393895 /nfs/dbraw/zinc/39/38/95/572393895.db2.gz ZUBULLXFMJXPDS-UHFFFAOYSA-N 0 0 175.191 1.023 10 0 ADAERN C/C=C\CS[C@H](C)C(=O)NCC 308008074 572393932 /nfs/dbraw/zinc/39/39/32/572393932.db2.gz DZKBNAPUKYTUML-RZAAKKIOSA-N 0 0 187.308 1.820 10 0 ADAERN CON(CC(C)C)C(=O)C(C)C 308007742 572393938 /nfs/dbraw/zinc/39/39/38/572393938.db2.gz NMOLHIORNKYMQY-UHFFFAOYSA-N 0 0 173.256 1.688 10 0 ADAERN Cn1c(C=O)ccc1-n1ccnc1 76600750 572393966 /nfs/dbraw/zinc/39/39/66/572393966.db2.gz BJRZGVQVGXAAET-UHFFFAOYSA-N 0 0 175.191 1.023 10 0 ADAERN CCCCCC[C@H]1CO[C@@H](O)CO1 238226842 572394468 /nfs/dbraw/zinc/39/44/68/572394468.db2.gz GVCSQFRNMSYXIZ-VHSXEESVSA-N 0 0 188.267 1.691 10 0 ADAERN C/C=C/CS[C@H](C)C(=O)NCC 308008076 572393991 /nfs/dbraw/zinc/39/39/91/572393991.db2.gz DZKBNAPUKYTUML-YZCDNWJKSA-N 0 0 187.308 1.820 10 0 ADAERN O=Cc1cc(F)c2c(c1)CC(=O)N2 76602989 572394474 /nfs/dbraw/zinc/39/44/74/572394474.db2.gz YHXFSNNXVSKYEP-UHFFFAOYSA-N 0 0 179.150 1.133 10 0 ADAERN C[C@@H](CC(=O)NC1COC1)C(C)(C)C 87195989 572394027 /nfs/dbraw/zinc/39/40/27/572394027.db2.gz UZBGAQCXJGXSDF-QMMMGPOBSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)C[C@H](C[N@@H+]1CC[C@@H]1C)C(=O)[O-] 87188523 572394138 /nfs/dbraw/zinc/39/41/38/572394138.db2.gz FBNOPJUZSUDZIO-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN CCOC(=O)[C@@H](O)C[C@@H]1CC=CCC1 402393521 572394184 /nfs/dbraw/zinc/39/41/84/572394184.db2.gz VADOZNSDROMTCQ-ZJUUUORDSA-N 0 0 198.262 1.657 10 0 ADAERN CCO[C@H](CO)C1CCCCC1 308007219 572394232 /nfs/dbraw/zinc/39/42/32/572394232.db2.gz DRBPJEDUVJFCFD-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CCc1noc([C@H](CC)OC)n1 308006703 572394259 /nfs/dbraw/zinc/39/42/59/572394259.db2.gz DMCMYOVGVRWUKG-LURJTMIESA-N 0 0 170.212 1.730 10 0 ADAERN CC[C@H](F)CS[C@@H]1CCNC1=O 308006912 572394539 /nfs/dbraw/zinc/39/45/39/572394539.db2.gz HYQDQSBAEQKNQE-NKWVEPMBSA-N 0 0 191.271 1.356 10 0 ADAERN CCCCOC[C@@H](N)C(F)(F)F 238229653 572394555 /nfs/dbraw/zinc/39/45/55/572394555.db2.gz WBMNZCABHQQYCJ-ZCFIWIBFSA-N 0 0 185.189 1.693 10 0 ADAERN CCCCOCNC(=O)CC 238229012 572394562 /nfs/dbraw/zinc/39/45/62/572394562.db2.gz MTHZPJDXSDVFRZ-UHFFFAOYSA-N 0 0 159.229 1.287 10 0 ADAERN Cn1ccc(N)c1Cc1ccco1 76601390 572394860 /nfs/dbraw/zinc/39/48/60/572394860.db2.gz JGRKMLLUNJNQCP-UHFFFAOYSA-N 0 0 176.219 1.791 10 0 ADAERN c1cc2sccn2n1 78692640 572394580 /nfs/dbraw/zinc/39/45/80/572394580.db2.gz GEYSRRWIBLWTRK-UHFFFAOYSA-N 0 0 124.168 1.396 10 0 ADAERN CCOC(=O)C(=CNC(C)C)CC 308007002 572394591 /nfs/dbraw/zinc/39/45/91/572394591.db2.gz DYMMCNRIWRDSQY-CLFYSBASSA-N 0 0 185.267 1.841 10 0 ADAERN COC(=O)/C(C)=C/COC(F)(F)F 234538241 572394641 /nfs/dbraw/zinc/39/46/41/572394641.db2.gz FJDJESJWHFATLP-HWKANZROSA-N 0 0 198.140 1.642 10 0 ADAERN Cn1cc(-c2cnco2)cc1C=O 76601217 572395152 /nfs/dbraw/zinc/39/51/52/572395152.db2.gz VXAWNXOWKJDWBL-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN C=C=C[C@@](C)(O)C(=O)CCCC 238229102 572394660 /nfs/dbraw/zinc/39/46/60/572394660.db2.gz OJEXVYPZMMZADI-SNVBAGLBSA-N 0 0 168.236 1.838 10 0 ADAERN Cc1cccc2cc(CON)[nH]c12 76601365 572394666 /nfs/dbraw/zinc/39/46/66/572394666.db2.gz MPPZNVZLNLNTIU-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN CCCCOCO[C@H](C)[C@H](C)O 238229343 572394697 /nfs/dbraw/zinc/39/46/97/572394697.db2.gz KGOQVRQORYUWEN-DTWKUNHWSA-N 0 0 176.256 1.547 10 0 ADAERN CCCC(=O)C[C@@H]1CCOC1=O 238229369 572394740 /nfs/dbraw/zinc/39/47/40/572394740.db2.gz FVAUVJYRJTUUMQ-ZETCQYMHSA-N 0 0 170.208 1.309 10 0 ADAERN Cn1cc(-c2ccon2)cc1C=O 76601221 572394791 /nfs/dbraw/zinc/39/47/91/572394791.db2.gz PCHGWCHCFMEORL-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN CCN(CC)C(=O)S[C@H](C)O 238228973 572394796 /nfs/dbraw/zinc/39/47/96/572394796.db2.gz AXVVNJMWTRXDEP-ZCFIWIBFSA-N 0 0 177.269 1.520 10 0 ADAERN CC1(C)CN=C(CCCCCO)O1 238229046 572394831 /nfs/dbraw/zinc/39/48/31/572394831.db2.gz MXCIRTQHUKLQPX-UHFFFAOYSA-N 0 0 185.267 1.746 10 0 ADAERN CCN(CC)C(=O)S[C@@H](C)O 238228963 572394838 /nfs/dbraw/zinc/39/48/38/572394838.db2.gz AXVVNJMWTRXDEP-LURJTMIESA-N 0 0 177.269 1.520 10 0 ADAERN CCCCOCOCC[C@@H](C)O 238229211 572394865 /nfs/dbraw/zinc/39/48/65/572394865.db2.gz GKCVSGQNFGEZLI-SECBINFHSA-N 0 0 176.256 1.548 10 0 ADAERN Cc1cc(N)cnc1N1CC[C@@H](C)C1 52812949 572394891 /nfs/dbraw/zinc/39/48/91/572394891.db2.gz MXZOZDJKKPNTNE-MRVPVSSYSA-N 0 0 191.278 1.818 10 0 ADAERN Cn1cc(-c2ccno2)cc1C=O 76601219 572394892 /nfs/dbraw/zinc/39/48/92/572394892.db2.gz VFOFLYPRHBFVPX-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN Cn1c(N)cc2c(C3CC3)n[nH]c21 76601485 572394918 /nfs/dbraw/zinc/39/49/18/572394918.db2.gz BZTYDQCMGWLHII-UHFFFAOYSA-N 0 0 176.223 1.361 10 0 ADAERN CCCCCC[C@](C)(CO)NO 238228983 572394940 /nfs/dbraw/zinc/39/49/40/572394940.db2.gz IQABTTQRGSVYIT-SECBINFHSA-N 0 0 175.272 1.687 10 0 ADAERN CCC[C@H]1C[C@H](C)N(CCO)C1=O 238229637 572394949 /nfs/dbraw/zinc/39/49/49/572394949.db2.gz ZNSBWJZBPQERQK-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN CCC(CC)[C@@H](O)[C@H]1COCCO1 87169596 572394961 /nfs/dbraw/zinc/39/49/61/572394961.db2.gz JAIXDRLCGRJDHP-NXEZZACHSA-N 0 0 188.267 1.199 10 0 ADAERN Cc1cnc(-c2c(N)ccn2C)o1 76602042 572394965 /nfs/dbraw/zinc/39/49/65/572394965.db2.gz VEGKINLCHUINDZ-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CC[C@H](O)[C@@H]1O[C@H]1C(C)(C)C 208603116 572394991 /nfs/dbraw/zinc/39/49/91/572394991.db2.gz IXMGOTDCZZDHOD-BIIVOSGPSA-N 0 0 158.241 1.571 10 0 ADAERN CCCc1nc(OC(C)C)cc(=O)[nH]1 238228735 572395002 /nfs/dbraw/zinc/39/50/02/572395002.db2.gz MFMSXRGWRHHJEK-UHFFFAOYSA-N 0 0 196.250 1.510 10 0 ADAERN CCCCC(=O)[C@H]1C[C@@H]1OC 238228894 572395034 /nfs/dbraw/zinc/39/50/34/572395034.db2.gz FRRZSORFQDTSIZ-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN CCC(CC)C(=O)c1c[nH]nc1N 87169318 572395038 /nfs/dbraw/zinc/39/50/38/572395038.db2.gz WBVPJIGOIDVNPU-UHFFFAOYSA-N 0 0 181.239 1.611 10 0 ADAERN Cc1cn(C)c2c(O)ccc(N)c12 76601428 572395041 /nfs/dbraw/zinc/39/50/41/572395041.db2.gz DGUKNWDLMMOOOU-UHFFFAOYSA-N 0 0 176.219 1.775 10 0 ADAERN CCC(=O)[C@@H]1CC[C@@H]1C(=O)OC 238226771 572395044 /nfs/dbraw/zinc/39/50/44/572395044.db2.gz SMPMJOJXPXUPGN-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN CCCC(=O)C[C@H](O)C(F)(F)F 238229684 572395051 /nfs/dbraw/zinc/39/50/51/572395051.db2.gz OXENACDWCICQHQ-LURJTMIESA-N 0 0 184.157 1.669 10 0 ADAERN CCCC(=O)C[C@@H]1CCCOC1=O 238229347 572395057 /nfs/dbraw/zinc/39/50/57/572395057.db2.gz MQMDMRJPBZZAHC-QMMMGPOBSA-N 0 0 184.235 1.699 10 0 ADAERN CCC(CC)C(=O)[C@@H]1COCCO1 87169311 572395073 /nfs/dbraw/zinc/39/50/73/572395073.db2.gz OENQAUBZWYFGFJ-VIFPVBQESA-N 0 0 186.251 1.407 10 0 ADAERN CCCCCC[C@H]1C[NH2+]C[C@H]1C(=O)[O-] 238226736 572395077 /nfs/dbraw/zinc/39/50/77/572395077.db2.gz OSVBKWFPLSYUKO-VHSXEESVSA-N 0 0 199.294 1.877 10 0 ADAERN Cn1cc(-c2ccon2)cc1C[NH3+] 76602090 572395081 /nfs/dbraw/zinc/39/50/81/572395081.db2.gz ULSQFROHSHVYFK-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN Cn1ccc(N)c1Cc1ccon1 76602076 572395123 /nfs/dbraw/zinc/39/51/23/572395123.db2.gz DTIVMQNNEYGSNG-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN C/C=C/C(=O)N(C)CCC(C)=O 308008692 572395147 /nfs/dbraw/zinc/39/51/47/572395147.db2.gz FFEWZDQMCDJMLV-SNAWJCMRSA-N 0 0 169.224 1.000 10 0 ADAERN Cc1ccc2cc(CON)[nH]c2c1 76601370 572395196 /nfs/dbraw/zinc/39/51/96/572395196.db2.gz FXLGPWJNLDHYHN-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN CCCC(=O)C[C@@H](CC)CO 238229079 572395200 /nfs/dbraw/zinc/39/52/00/572395200.db2.gz ZRANIIHCYLFVLI-MRVPVSSYSA-N 0 0 158.241 1.764 10 0 ADAERN O=C1CNCc2oc(C3CC3)cc21 76601964 572395210 /nfs/dbraw/zinc/39/52/10/572395210.db2.gz QTZLNANUJQFMAA-UHFFFAOYSA-N 0 0 177.203 1.443 10 0 ADAERN Cc1nc(-c2cc(N)cn2C)c[nH]1 76601450 572395214 /nfs/dbraw/zinc/39/52/14/572395214.db2.gz UKQVZXQNVFRILK-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN Cc1cc2c(N)c(O)ccc2n1C 76601425 572395258 /nfs/dbraw/zinc/39/52/58/572395258.db2.gz GUBAAJQQBNTXCG-UHFFFAOYSA-N 0 0 176.219 1.775 10 0 ADAERN CC(=O)C[C@H]1CCC[C@@H](CCO)O1 206825803 572395263 /nfs/dbraw/zinc/39/52/63/572395263.db2.gz WVUKEXWIZHQOQY-VHSXEESVSA-N 0 0 186.251 1.286 10 0 ADAERN Cn1c(C[NH3+])ccc1-c1ncco1 76602083 572395269 /nfs/dbraw/zinc/39/52/69/572395269.db2.gz WIUAGVJQPGSXSK-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN Cn1cc(N)c2[nH]nc(C3CC3)c21 76601491 572395280 /nfs/dbraw/zinc/39/52/80/572395280.db2.gz UWAKTYVTVRRABO-UHFFFAOYSA-N 0 0 176.223 1.361 10 0 ADAERN Cn1ccc(-c2cc(N)cn2C)n1 76601448 572395288 /nfs/dbraw/zinc/39/52/88/572395288.db2.gz YVEPJSCUBJKMHN-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN CCC(CC)[C@@H](O)c1nc[nH]n1 87169599 572395318 /nfs/dbraw/zinc/39/53/18/572395318.db2.gz IRKVWCAKECDKAS-SSDOTTSWSA-N 0 0 169.228 1.274 10 0 ADAERN Cn1c(C=O)ccc1-c1ccon1 76601211 572395360 /nfs/dbraw/zinc/39/53/60/572395360.db2.gz ZYZQYTFFUOTFJF-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN CCCC(=O)C[C@H](C)CNC(C)=O 238229508 572395366 /nfs/dbraw/zinc/39/53/66/572395366.db2.gz QAKKINVWCYERNE-QMMMGPOBSA-N 0 0 185.267 1.518 10 0 ADAERN Cn1cnc(-c2cc(N)cn2C)c1 76601446 572395733 /nfs/dbraw/zinc/39/57/33/572395733.db2.gz BHFAJUSWMKNEFR-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN COC(=O)[C@H](C)NC[C@H]1CC1(C)C 234538338 572395412 /nfs/dbraw/zinc/39/54/12/572395412.db2.gz WFLQKVOHTTWBAO-JGVFFNPUSA-N 0 0 185.267 1.184 10 0 ADAERN CCCC(=O)C[C@H](CC)CO 238229605 572395420 /nfs/dbraw/zinc/39/54/20/572395420.db2.gz ZRANIIHCYLFVLI-QMMMGPOBSA-N 0 0 158.241 1.764 10 0 ADAERN CCN(CC)C(=O)[C@@H](C)C[C@H](C)O 238229134 572395425 /nfs/dbraw/zinc/39/54/25/572395425.db2.gz SFKVXPBQBPPFNY-IUCAKERBSA-N 0 0 187.283 1.262 10 0 ADAERN CCCCC(=O)[C@H]1C[C@H]1CO 238228932 572395434 /nfs/dbraw/zinc/39/54/34/572395434.db2.gz OZVFTUZINKZINH-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN CC(C)[C@H](CCO)CC(C)(C)O 238229556 572395496 /nfs/dbraw/zinc/39/54/96/572395496.db2.gz IDRVILVNAUGPDY-SECBINFHSA-N 0 0 174.284 1.802 10 0 ADAERN Cc1cc(N)cnc1N1CC[C@H](C)C1 52812948 572395521 /nfs/dbraw/zinc/39/55/21/572395521.db2.gz MXZOZDJKKPNTNE-QMMMGPOBSA-N 0 0 191.278 1.818 10 0 ADAERN CCCCCC[C@]([NH3+])(CC)C(N)=O 238229576 572395552 /nfs/dbraw/zinc/39/55/52/572395552.db2.gz BIDAVCXHHJGBQN-SNVBAGLBSA-N 0 0 186.299 1.550 10 0 ADAERN CCCCCC[C@H]1CO[C@H](O)CO1 238226869 572395571 /nfs/dbraw/zinc/39/55/71/572395571.db2.gz GVCSQFRNMSYXIZ-UWVGGRQHSA-N 0 0 188.267 1.691 10 0 ADAERN CCCCC(=O)[C@H]1C[C@H]1OC 238228952 572395581 /nfs/dbraw/zinc/39/55/81/572395581.db2.gz FRRZSORFQDTSIZ-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN CCC(CC)[C@H](O)CCOC 87169473 572395608 /nfs/dbraw/zinc/39/56/08/572395608.db2.gz PVLCMNIELUKKAQ-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CCCOC[C@]1(O)CC[C@@H]2C[C@@H]21 308009230 572395625 /nfs/dbraw/zinc/39/56/25/572395625.db2.gz OELUSIDIOIYEJQ-KXUCPTDWSA-N 0 0 170.252 1.574 10 0 ADAERN CCC(CC)C[C@H](O)COC 87171689 572395628 /nfs/dbraw/zinc/39/56/28/572395628.db2.gz AMTOJBOTRQWGIH-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CCC(CC)[C@H](O)[C@H](C)OC 87169762 572395689 /nfs/dbraw/zinc/39/56/89/572395689.db2.gz PHYYMXJSIDYBNL-IONNQARKSA-N 0 0 160.257 1.818 10 0 ADAERN C/C=C\C(=O)N(C)CCC(C)=O 308008689 572395699 /nfs/dbraw/zinc/39/56/99/572395699.db2.gz FFEWZDQMCDJMLV-PLNGDYQASA-N 0 0 169.224 1.000 10 0 ADAERN Cn1ccc2cc(CON)ccc21 76601410 572395701 /nfs/dbraw/zinc/39/57/01/572395701.db2.gz FZXVABIUQDGWOV-UHFFFAOYSA-N 0 0 176.219 1.569 10 0 ADAERN NOCCc1ccc2[nH]ccc2c1 76601405 572395713 /nfs/dbraw/zinc/39/57/13/572395713.db2.gz QWUOCZPUGFAJFU-UHFFFAOYSA-N 0 0 176.219 1.601 10 0 ADAERN CCc1n[nH]c2cc(C=O)n(C)c12 76602059 572395720 /nfs/dbraw/zinc/39/57/20/572395720.db2.gz WIKBUAPLODTJSA-UHFFFAOYSA-N 0 0 177.207 1.276 10 0 ADAERN CCCNC(=O)C(C)(C)C(=O)C(C)C 238229755 572395954 /nfs/dbraw/zinc/39/59/54/572395954.db2.gz CYNMZRHBTSGBIY-UHFFFAOYSA-N 0 0 199.294 1.764 10 0 ADAERN Cn1cccc1-c1cc(C=O)no1 76601224 572395767 /nfs/dbraw/zinc/39/57/67/572395767.db2.gz GSFQGZJQUGVYME-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN CCC(CC)[C@H](O)c1ccn(C)n1 87169581 572395861 /nfs/dbraw/zinc/39/58/61/572395861.db2.gz ZEYDMJNVYHEXGL-JTQLQIEISA-N 0 0 182.267 1.890 10 0 ADAERN Cc1c[nH]nc1-c1cc(N)cn1C 76601452 572395933 /nfs/dbraw/zinc/39/59/33/572395933.db2.gz IYNMUAAPHMBMTC-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN CCCOC(=O)N=C(N)OCC 238229136 572395945 /nfs/dbraw/zinc/39/59/45/572395945.db2.gz SIPHHOOTBLBACI-UHFFFAOYSA-N 0 0 174.200 1.094 10 0 ADAERN CCCNC(=CC(=O)OCC)CC 238228728 572395948 /nfs/dbraw/zinc/39/59/48/572395948.db2.gz QIEPIKSHIVYGPT-CMDGGOBGSA-N 0 0 185.267 1.843 10 0 ADAERN CCCC(=O)C[C@H](CC)CNC(C)=O 238229585 572395971 /nfs/dbraw/zinc/39/59/71/572395971.db2.gz CZZYGXSNKUOEFU-JTQLQIEISA-N 0 0 199.294 1.908 10 0 ADAERN CCC1CCN(/C=C\C(=O)OC)CC1 211623411 572396020 /nfs/dbraw/zinc/39/60/20/572396020.db2.gz FRGMXJFQIGAPHT-TWGQIWQCSA-N 0 0 197.278 1.795 10 0 ADAERN Cc1ncoc1-c1cc(N)cn1C 76602028 572396032 /nfs/dbraw/zinc/39/60/32/572396032.db2.gz KSKMTBQPGONARQ-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCCCC(=O)[C@H]1C[C@@H]1CO 238228873 572396071 /nfs/dbraw/zinc/39/60/71/572396071.db2.gz OZVFTUZINKZINH-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN CCC(CC)[C@@H](O)[C@H]1CCCO1 87169589 572396082 /nfs/dbraw/zinc/39/60/82/572396082.db2.gz QJSYMRMHOCIMJO-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cccc2[nH]c(CON)cc12 76601363 572396292 /nfs/dbraw/zinc/39/62/92/572396292.db2.gz IRWKJWUATLBTJB-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN CCC(CC)C(=O)C(OC)OC 87169425 572396295 /nfs/dbraw/zinc/39/62/95/572396295.db2.gz OGOTWCXLVVPQQU-UHFFFAOYSA-N 0 0 174.240 1.611 10 0 ADAERN CCCc1nc(CC)ncc1CO 238226859 572396316 /nfs/dbraw/zinc/39/63/16/572396316.db2.gz UOFJPCRMKFQKEA-UHFFFAOYSA-N 0 0 180.251 1.484 10 0 ADAERN CCSCC[NH2+][C@H](C)CC(=O)[O-] 308009238 572396318 /nfs/dbraw/zinc/39/63/18/572396318.db2.gz FJLDMSDPAVORKR-SSDOTTSWSA-N 0 0 191.296 1.192 10 0 ADAERN CCC(CC)[C@@H](O)[C@H](C)OC 87169764 572396388 /nfs/dbraw/zinc/39/63/88/572396388.db2.gz PHYYMXJSIDYBNL-CBAPKCEASA-N 0 0 160.257 1.818 10 0 ADAERN Cc1cc(-c2c(N)ccn2C)no1 76602046 572396419 /nfs/dbraw/zinc/39/64/19/572396419.db2.gz BVBAHTSDTNPPAV-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN O=Cc1ccc(CC2COC2)cc1 76601296 572396426 /nfs/dbraw/zinc/39/64/26/572396426.db2.gz VNJRXMKAFJSEEP-UHFFFAOYSA-N 0 0 176.215 1.688 10 0 ADAERN Cc1nn(C)c2c1c(C=O)cn2C 76602061 572396511 /nfs/dbraw/zinc/39/65/11/572396511.db2.gz HNQXLEQSIORQRW-UHFFFAOYSA-N 0 0 177.207 1.033 10 0 ADAERN CCCC[C@H](NC(C)=O)[C@H](C)O 238228819 572396545 /nfs/dbraw/zinc/39/65/45/572396545.db2.gz HEPLBEQDROZPMH-CBAPKCEASA-N 0 0 173.256 1.062 10 0 ADAERN Cc1coc(-c2c(N)ccn2C)n1 76602045 572396533 /nfs/dbraw/zinc/39/65/33/572396533.db2.gz APYXKVWSORFJDF-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCCC(=O)C[C@@H](O)C(F)(F)F 238229185 572396552 /nfs/dbraw/zinc/39/65/52/572396552.db2.gz OXENACDWCICQHQ-ZCFIWIBFSA-N 0 0 184.157 1.669 10 0 ADAERN CCCC(=O)C[C@H]1CCOC1=O 238229851 572396677 /nfs/dbraw/zinc/39/66/77/572396677.db2.gz FVAUVJYRJTUUMQ-SSDOTTSWSA-N 0 0 170.208 1.309 10 0 ADAERN Cc1nc(C2CCC2)ncc1C=O 76601377 572397771 /nfs/dbraw/zinc/39/77/71/572397771.db2.gz RDNFYYCAQAXXCG-UHFFFAOYSA-N 0 0 176.219 1.865 10 0 ADAERN COC(=O)N(CCC(C)C)OC 308009048 572396694 /nfs/dbraw/zinc/39/66/94/572396694.db2.gz KHIYEKXGSRFKQW-UHFFFAOYSA-N 0 0 175.228 1.662 10 0 ADAERN CC(C)C(CNN(C)C)C(C)C 308008438 572396701 /nfs/dbraw/zinc/39/67/01/572396701.db2.gz NUZVXGAPJGJFEZ-UHFFFAOYSA-N 0 0 172.316 1.981 10 0 ADAERN CCCCOCOCC[C@H](C)O 238229227 572397827 /nfs/dbraw/zinc/39/78/27/572397827.db2.gz GKCVSGQNFGEZLI-VIFPVBQESA-N 0 0 176.256 1.548 10 0 ADAERN Cc1cc(-c2oncc2N)cn1C 76602051 572396800 /nfs/dbraw/zinc/39/68/00/572396800.db2.gz DWJRGIDXGTVEMO-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCC(CC)C(=O)c1cnn(C)c1N 87169316 572396812 /nfs/dbraw/zinc/39/68/12/572396812.db2.gz CMAUVFFTVYGYAU-UHFFFAOYSA-N 0 0 195.266 1.621 10 0 ADAERN CCSCC[NH2+][C@@H](C)CC(=O)[O-] 308009248 572396839 /nfs/dbraw/zinc/39/68/39/572396839.db2.gz FJLDMSDPAVORKR-ZETCQYMHSA-N 0 0 191.296 1.192 10 0 ADAERN CCCOC[C@]1(O)CC[C@H]2C[C@H]21 308009219 572396852 /nfs/dbraw/zinc/39/68/52/572396852.db2.gz OELUSIDIOIYEJQ-IVZWLZJFSA-N 0 0 170.252 1.574 10 0 ADAERN CCC(CC)[C@H](O)[C@H]1CCCO1 87169587 572396858 /nfs/dbraw/zinc/39/68/58/572396858.db2.gz QJSYMRMHOCIMJO-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ocnc1-c1cc(N)cn1C 76602025 572396887 /nfs/dbraw/zinc/39/68/87/572396887.db2.gz HSILROPETNWYFR-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCOC(=O)[C@H](O)C[C@H]1CC=CCC1 402393520 572396894 /nfs/dbraw/zinc/39/68/94/572396894.db2.gz VADOZNSDROMTCQ-VHSXEESVSA-N 0 0 198.262 1.657 10 0 ADAERN CCC(CC)[C@@H](O)[C@@H]1CCCO1 87169586 572396928 /nfs/dbraw/zinc/39/69/28/572396928.db2.gz QJSYMRMHOCIMJO-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CCC(CC)[C@@H](O)c1ncccn1 87169469 572396949 /nfs/dbraw/zinc/39/69/49/572396949.db2.gz PRAVDRILDXKDSX-SECBINFHSA-N 0 0 180.251 1.946 10 0 ADAERN CCCCOCC/C=C/CO 238228733 572396953 /nfs/dbraw/zinc/39/69/53/572396953.db2.gz PLOYUCRHPQFMGH-SNAWJCMRSA-N 0 0 158.241 1.742 10 0 ADAERN CCCC(=O)C[C@@H](C)CNC(C)=O 238228956 572396979 /nfs/dbraw/zinc/39/69/79/572396979.db2.gz QAKKINVWCYERNE-MRVPVSSYSA-N 0 0 185.267 1.518 10 0 ADAERN CCCNC(=CC(=O)OC)CC 238228714 572396990 /nfs/dbraw/zinc/39/69/90/572396990.db2.gz VUICMOJYFDNJNA-BQYQJAHWSA-N 0 0 171.240 1.453 10 0 ADAERN CCC[C@H](O)/C=C/C=C\OC 210504248 572397000 /nfs/dbraw/zinc/39/70/00/572397000.db2.gz NWTXWAXWEJMVHS-MTSPWITASA-N 0 0 156.225 1.864 10 0 ADAERN COCOc1cc(N)c(C)cc1C 234707612 572397019 /nfs/dbraw/zinc/39/70/19/572397019.db2.gz WMHXVMLUUVTJLS-UHFFFAOYSA-N 0 0 181.235 1.868 10 0 ADAERN Cn1c(N)cc2onc(C3CC3)c21 76602071 572397023 /nfs/dbraw/zinc/39/70/23/572397023.db2.gz UPSULJLFPRKLNS-UHFFFAOYSA-N 0 0 177.207 1.626 10 0 ADAERN CCC(CC)[C@H](O)c1c[nH]nc1N 87169604 572397030 /nfs/dbraw/zinc/39/70/30/572397030.db2.gz SSZRELBIVWZIKW-QMMMGPOBSA-N 0 0 183.255 1.462 10 0 ADAERN Cn1ccc(N)c1Cc1cnco1 76602069 572397054 /nfs/dbraw/zinc/39/70/54/572397054.db2.gz KUTZGXUXAFGCKB-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN Cc1ccnn1-c1cc(N)cn1C 76601474 572397068 /nfs/dbraw/zinc/39/70/68/572397068.db2.gz QEVUPQYFTHUCAB-UHFFFAOYSA-N 0 0 176.223 1.101 10 0 ADAERN CCC(CC)C(=O)c1nc[nH]n1 87169314 572397073 /nfs/dbraw/zinc/39/70/73/572397073.db2.gz GXMBLHKWFWKUTN-UHFFFAOYSA-N 0 0 167.212 1.424 10 0 ADAERN CCC(CC)[C@H](O)[C@H]1COCCO1 87169594 572397076 /nfs/dbraw/zinc/39/70/76/572397076.db2.gz JAIXDRLCGRJDHP-ZJUUUORDSA-N 0 0 188.267 1.199 10 0 ADAERN C/C=C\C(=O)NC1CC(F)(F)C1 308008780 572397086 /nfs/dbraw/zinc/39/70/86/572397086.db2.gz FHIYPLCLELYHGQ-IHWYPQMZSA-N 0 0 175.178 1.476 10 0 ADAERN CCC(CC)C(=O)[C@H]1COCCO1 87169312 572397089 /nfs/dbraw/zinc/39/70/89/572397089.db2.gz OENQAUBZWYFGFJ-SECBINFHSA-N 0 0 186.251 1.407 10 0 ADAERN CCC(=O)[C@@H]1CC[C@H]1C(=O)OC 238226834 572397092 /nfs/dbraw/zinc/39/70/92/572397092.db2.gz SMPMJOJXPXUPGN-RNFRBKRXSA-N 0 0 170.208 1.165 10 0 ADAERN CCC(=O)[C@H](C)SC[C@H](C)O 238231164 572399354 /nfs/dbraw/zinc/39/93/54/572399354.db2.gz GMAGSTZBFJBWEC-BQBZGAKWSA-N 0 0 176.281 1.468 10 0 ADAERN Cn1cc(-c2cc(N)cn2C)cn1 76601458 572397103 /nfs/dbraw/zinc/39/71/03/572397103.db2.gz OILRHVFHCYEROZ-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN CCC(CC)Cc1c(N)[nH][nH]c1=O 238229163 572397113 /nfs/dbraw/zinc/39/71/13/572397113.db2.gz VMAXBDZJCGXXOG-UHFFFAOYSA-N 0 0 183.255 1.264 10 0 ADAERN Cc1n[nH]cc1-c1c(N)ccn1C 76601468 572397137 /nfs/dbraw/zinc/39/71/37/572397137.db2.gz QGQXTRSGTDTRNB-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN CCCCC(=O)[C@H]1CCC[C@@H](O)O1 238228772 572397163 /nfs/dbraw/zinc/39/71/63/572397163.db2.gz FHLXDJQPBLGDNY-ZJUUUORDSA-N 0 0 186.251 1.633 10 0 ADAERN Cc1ccn(-c2ccc(N)n2C)n1 76601482 572397167 /nfs/dbraw/zinc/39/71/67/572397167.db2.gz MNVVYSBRNITTTB-UHFFFAOYSA-N 0 0 176.223 1.101 10 0 ADAERN Cc1cnn(-c2ncc(N)cc2C)c1 52813590 572397168 /nfs/dbraw/zinc/39/71/68/572397168.db2.gz YSLZEMHAWAJXNP-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cn1ccc(-c2c(N)ccn2C)n1 76601469 572397192 /nfs/dbraw/zinc/39/71/92/572397192.db2.gz FXHPYXPVMRAEGD-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN CCCCOCO[C@@H](C)[C@H](C)O 238229308 572397199 /nfs/dbraw/zinc/39/71/99/572397199.db2.gz KGOQVRQORYUWEN-IUCAKERBSA-N 0 0 176.256 1.547 10 0 ADAERN CCCCC(=O)c1cnc(=O)[nH]c1 238229833 572397222 /nfs/dbraw/zinc/39/72/22/572397222.db2.gz CDYDPLMQBSVZFS-UHFFFAOYSA-N 0 0 180.207 1.143 10 0 ADAERN Cn1c(C=O)ccc1-c1ncco1 76601206 572397230 /nfs/dbraw/zinc/39/72/30/572397230.db2.gz DCEAZTBUBNJWKF-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN CCC(CC)C[C@@H](O)COC 87171691 572397233 /nfs/dbraw/zinc/39/72/33/572397233.db2.gz AMTOJBOTRQWGIH-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN Cc1cnc(-c2cc(N)cn2C)o1 76602037 572397234 /nfs/dbraw/zinc/39/72/34/572397234.db2.gz GTBYKDMTCFNYBH-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCC(CC)[C@H](O)[C@@H](C)OC 87169759 572397265 /nfs/dbraw/zinc/39/72/65/572397265.db2.gz PHYYMXJSIDYBNL-VXNVDRBHSA-N 0 0 160.257 1.818 10 0 ADAERN CCCCOCO[C@@H](C)[C@@H](C)O 238229296 572397302 /nfs/dbraw/zinc/39/73/02/572397302.db2.gz KGOQVRQORYUWEN-BDAKNGLRSA-N 0 0 176.256 1.547 10 0 ADAERN CCC(CC)[C@@H](O)c1c[nH]nc1N 87169607 572397387 /nfs/dbraw/zinc/39/73/87/572397387.db2.gz SSZRELBIVWZIKW-MRVPVSSYSA-N 0 0 183.255 1.462 10 0 ADAERN Cc1cc(-c2cc(N)cn2C)n[nH]1 76601443 572397416 /nfs/dbraw/zinc/39/74/16/572397416.db2.gz JQKRDHMHGJNDCD-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN Cc1coc(-c2cc(N)cn2C)n1 76602019 572397433 /nfs/dbraw/zinc/39/74/33/572397433.db2.gz OQJWXWMDFIFZRS-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN Cn1c(C=O)ccc1-c1cnco1 76601208 572397448 /nfs/dbraw/zinc/39/74/48/572397448.db2.gz VDUMXUIJNIWILS-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN Cc1ncc(-c2cc(N)cn2C)o1 76602031 572397474 /nfs/dbraw/zinc/39/74/74/572397474.db2.gz LLDJINCKAGIXQY-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN Cn1cncc1-c1cc(N)cn1C 76601455 572397480 /nfs/dbraw/zinc/39/74/80/572397480.db2.gz VVJXCWPDTKKZNW-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN CCCCCC[C@H]1COC[C@H]1O 238226817 572397506 /nfs/dbraw/zinc/39/75/06/572397506.db2.gz GKNVILABXLEWKV-VHSXEESVSA-N 0 0 172.268 1.964 10 0 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NQQZCDGRYDAQCP-WPRPVWTQSA-N 0 0 188.267 1.737 10 0 ADAERN NOCCc1ccc2c(c1)OCC2 76603151 572401426 /nfs/dbraw/zinc/40/14/26/572401426.db2.gz NEUUKGYJNORPKS-UHFFFAOYSA-N 0 0 179.219 1.054 10 0 ADAERN CC(C)c1cc2c(o1)CNCC2=O 76603149 572399599 /nfs/dbraw/zinc/39/95/99/572399599.db2.gz RIDJDSCGJJOVQI-UHFFFAOYSA-N 0 0 179.219 1.689 10 0 ADAERN Cc1cc(C[C@H]2CCCC2=O)no1 76603209 572399635 /nfs/dbraw/zinc/39/96/35/572399635.db2.gz HOHBAYWMKJPALZ-MRVPVSSYSA-N 0 0 179.219 1.895 10 0 ADAERN CCC(=O)[C@H](C)[C@@H](O)Cc1ccoc1 238231408 572399677 /nfs/dbraw/zinc/39/96/77/572399677.db2.gz LILJHQLTGVAVRO-KWQFWETISA-N 0 0 196.246 1.798 10 0 ADAERN CCCc1ncncc1OC1CC1 238231901 572399704 /nfs/dbraw/zinc/39/97/04/572399704.db2.gz WZUPBYHCNLDXJT-UHFFFAOYSA-N 0 0 178.235 1.970 10 0 ADAERN CCCc1ncc(C(=O)OC)o1 238229950 572399711 /nfs/dbraw/zinc/39/97/11/572399711.db2.gz TWPCSKRDAFUBAR-UHFFFAOYSA-N 0 0 169.180 1.414 10 0 ADAERN N#CNc1ccc(F)c(F)c1F 52832092 572401436 /nfs/dbraw/zinc/40/14/36/572401436.db2.gz 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KJPPYOYTCZMEPD-IUCAKERBSA-N 0 0 197.278 1.866 10 0 ADAERN CC[C@H](CO)N[C@H](C)C(F)(F)F 308014922 572400220 /nfs/dbraw/zinc/40/02/20/572400220.db2.gz HATNZQJISWQROZ-PHDIDXHHSA-N 0 0 185.189 1.298 10 0 ADAERN CC[C@H](OC)[C@H](C)[C@@H]1C[C@@H]1CO 308012956 572400248 /nfs/dbraw/zinc/40/02/48/572400248.db2.gz GPGJSWYELASGTK-IMSYWVGJSA-N 0 0 172.268 1.676 10 0 ADAERN CC(C)[C@H](CC[C@H](C)[NH3+])CC(=O)[O-] 238230103 572400269 /nfs/dbraw/zinc/40/02/69/572400269.db2.gz UVFOONUACGJWDQ-DTWKUNHWSA-N 0 0 187.283 1.861 10 0 ADAERN C/C=C\C(=O)O[C@H]1CCCC1=O 308014759 572400279 /nfs/dbraw/zinc/40/02/79/572400279.db2.gz GZIBIIODFLLDNP-LTMVXPGCSA-N 0 0 168.192 1.227 10 0 ADAERN COc1ccc(NC#N)cc1OC 52832102 572400303 /nfs/dbraw/zinc/40/03/03/572400303.db2.gz CVMHFHITXYWINF-UHFFFAOYSA-N 0 0 178.191 1.597 10 0 ADAERN CCCCOC[C@@](C)(O)C(C)=O 238230350 572400362 /nfs/dbraw/zinc/40/03/62/572400362.db2.gz FLZAIYLYIJZBIN-SECBINFHSA-N 0 0 174.240 1.143 10 0 ADAERN CCC(=O)[C@H](C)[C@H](C)NC(=O)OC 238231619 572400373 /nfs/dbraw/zinc/40/03/73/572400373.db2.gz FFCHNBMHSUSFRZ-RQJHMYQMSA-N 0 0 187.239 1.346 10 0 ADAERN COC(=O)CN[C@H](C)CC(F)(F)F 234540912 572400374 /nfs/dbraw/zinc/40/03/74/572400374.db2.gz CXSASYCDIBFODH-RXMQYKEDSA-N 0 0 199.172 1.090 10 0 ADAERN CCOc1ccccc1NC#N 52832044 572400382 /nfs/dbraw/zinc/40/03/82/572400382.db2.gz ULEWHJHVWRJIFF-UHFFFAOYSA-N 0 0 162.192 1.978 10 0 ADAERN Oc1ccccc1Oc1cccnn1 52831698 572400385 /nfs/dbraw/zinc/40/03/85/572400385.db2.gz AADZTRDPTMOUHN-UHFFFAOYSA-N 0 0 188.186 1.975 10 0 ADAERN CCC(=O)[C@H](C)[C@H](O)C(F)(F)F 238231672 572400418 /nfs/dbraw/zinc/40/04/18/572400418.db2.gz OPTTWXFBLXUFDB-NJGYIYPDSA-N 0 0 184.157 1.525 10 0 ADAERN c1cnnc(NCc2ccncc2)c1 52815962 572400425 /nfs/dbraw/zinc/40/04/25/572400425.db2.gz BVDJSLKLMDYFJB-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN CCC(CC)n1cc(CCO)nn1 87171802 572400468 /nfs/dbraw/zinc/40/04/68/572400468.db2.gz IFUGVVCCUDXQGE-UHFFFAOYSA-N 0 0 183.255 1.174 10 0 ADAERN Cn1ccc(N)c1-c1nccs1 76603378 572400529 /nfs/dbraw/zinc/40/05/29/572400529.db2.gz AVUWXEWQLYTXQP-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN C=C=C(C(=O)OCC)[C@@H](O)CCCC 238231788 572400553 /nfs/dbraw/zinc/40/05/53/572400553.db2.gz PNJMFAMQQQXQRC-JTQLQIEISA-N 0 0 198.262 1.812 10 0 ADAERN CCCc1nccnc1COC(C)=O 238231758 572401460 /nfs/dbraw/zinc/40/14/60/572401460.db2.gz PGSCLIMRQSZJKH-UHFFFAOYSA-N 0 0 194.234 1.492 10 0 ADAERN N#CNc1ccc2c(c1)OCCO2 52832153 572400582 /nfs/dbraw/zinc/40/05/82/572400582.db2.gz RIOAJCILPWTVIB-UHFFFAOYSA-N 0 0 176.175 1.351 10 0 ADAERN Cn1c(C=O)ccc1[C@@H]1CCOC1 76603064 572400595 /nfs/dbraw/zinc/40/05/95/572400595.db2.gz FXWCNJYDUHBDRK-MRVPVSSYSA-N 0 0 179.219 1.342 10 0 ADAERN Cc1cc(N)cnc1SCCO 52813819 572400604 /nfs/dbraw/zinc/40/06/04/572400604.db2.gz QDHUBBOWTNHJKB-UHFFFAOYSA-N 0 0 184.264 1.057 10 0 ADAERN CCCc1ncc(C(=O)OCC)cn1 238230004 572400631 /nfs/dbraw/zinc/40/06/31/572400631.db2.gz MTMOKWKLMLEBPE-UHFFFAOYSA-N 0 0 194.234 1.606 10 0 ADAERN O=C1COCc2oc(C3CC3)nc21 76603015 572400675 /nfs/dbraw/zinc/40/06/75/572400675.db2.gz WNGOMJIYUSRDRP-UHFFFAOYSA-N 0 0 179.175 1.265 10 0 ADAERN OC1CCC(Nc2cccnn2)CC1 52815841 572400684 /nfs/dbraw/zinc/40/06/84/572400684.db2.gz ZEQGGSORZFTCRD-UHFFFAOYSA-N 0 0 193.250 1.192 10 0 ADAERN Cn1cc(N)cc1-c1cnsc1 76603372 572400780 /nfs/dbraw/zinc/40/07/80/572400780.db2.gz QUKQVBVRYQALSC-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN CONC(=O)N(C)[C@H](C)C(C)C 308015393 572400791 /nfs/dbraw/zinc/40/07/91/572400791.db2.gz PMZVVINSDULXNT-SSDOTTSWSA-N 0 0 174.244 1.234 10 0 ADAERN CCC(=O)[C@H](C(N)=O)c1ccccc1 238230008 572400809 /nfs/dbraw/zinc/40/08/09/572400809.db2.gz SJSFCCQENMZDJS-SNVBAGLBSA-N 0 0 191.230 1.235 10 0 ADAERN NOCc1cc2ccc(O)cc2[nH]1 76602516 572400863 /nfs/dbraw/zinc/40/08/63/572400863.db2.gz OALHZSURHZFGAK-UHFFFAOYSA-N 0 0 178.191 1.264 10 0 ADAERN CCCC[C@@H](C)NC#N 52833000 572400892 /nfs/dbraw/zinc/40/08/92/572400892.db2.gz RTYNIDSAGOXHEL-SSDOTTSWSA-N 0 0 126.203 1.636 10 0 ADAERN C/C=C\C(=O)O[C@@H]1CCCC1=O 308014756 572400910 /nfs/dbraw/zinc/40/09/10/572400910.db2.gz GZIBIIODFLLDNP-DLRBJTRDSA-N 0 0 168.192 1.227 10 0 ADAERN CC[C@H](CO)N[C@@H](C)C(F)(F)F 308014916 572400918 /nfs/dbraw/zinc/40/09/18/572400918.db2.gz HATNZQJISWQROZ-NTSWFWBYSA-N 0 0 185.189 1.298 10 0 ADAERN CCC(=O)O[C@H](C)[C@@H]1CCOC1 308013774 572400955 /nfs/dbraw/zinc/40/09/55/572400955.db2.gz GUSWYUOOBOZJAQ-HTQZYQBOSA-N 0 0 172.224 1.365 10 0 ADAERN C[C@H](CO)[C@@H]1CCC[C@@H]1CCO 308014697 572400999 /nfs/dbraw/zinc/40/09/99/572400999.db2.gz GXKVPYQLOMYJES-BBBLOLIVSA-N 0 0 172.268 1.414 10 0 ADAERN Cn1c(F)ccc1Br 76602417 572401031 /nfs/dbraw/zinc/40/10/31/572401031.db2.gz RKMORENINCOARA-UHFFFAOYSA-N 0 0 178.004 1.927 10 0 ADAERN CCC(O)=C(C)C(=O)C1CCC1 238230060 572401007 /nfs/dbraw/zinc/40/10/07/572401007.db2.gz HWGUHHFHYYFLPA-ZETCQYMHSA-N 0 0 168.236 1.971 10 0 ADAERN CCN(C)C(=O)C1(C(C)C)CC1 308013287 572401011 /nfs/dbraw/zinc/40/10/11/572401011.db2.gz NXOZYJDASQHBSY-UHFFFAOYSA-N 0 0 169.268 1.901 10 0 ADAERN Cn1ccc2cc(C[NH3+])c(F)cc21 76602586 572401084 /nfs/dbraw/zinc/40/10/84/572401084.db2.gz SQDVQZPKEFUAAC-UHFFFAOYSA-N 0 0 178.210 1.776 10 0 ADAERN CCCNC(=O)CC(=[NH2+])SC 238230277 572401094 /nfs/dbraw/zinc/40/10/94/572401094.db2.gz XXTZHEXVSTWTMV-UHFFFAOYSA-N 0 0 174.269 1.243 10 0 ADAERN O=C1CCCN[C@@H]1Cc1ccco1 76603157 572401105 /nfs/dbraw/zinc/40/11/05/572401105.db2.gz ILDNZDLRVISSOC-SECBINFHSA-N 0 0 179.219 1.143 10 0 ADAERN CC[C@H](OC)[C@H](C)[C@@H]1C[C@H]1CO 308012957 572401119 /nfs/dbraw/zinc/40/11/19/572401119.db2.gz GPGJSWYELASGTK-KATARQTJSA-N 0 0 172.268 1.676 10 0 ADAERN O=Nc1ccccc1C(=O)OCCO 238709028 572401151 /nfs/dbraw/zinc/40/11/51/572401151.db2.gz DCUXQWZEYWDXML-UHFFFAOYSA-N 0 0 195.174 1.234 10 0 ADAERN Cn1ccc(F)c1Br 76602415 572401175 /nfs/dbraw/zinc/40/11/75/572401175.db2.gz INWQQPNMGJWBGH-UHFFFAOYSA-N 0 0 178.004 1.927 10 0 ADAERN Cc1nc(C[C@H]2CCCC2=O)co1 76603192 572401192 /nfs/dbraw/zinc/40/11/92/572401192.db2.gz BVUCAKRMHONAIU-MRVPVSSYSA-N 0 0 179.219 1.895 10 0 ADAERN CCCCOCc1cnc(C)[nH]c1=O 238231488 572401205 /nfs/dbraw/zinc/40/12/05/572401205.db2.gz BJXBIYXEDXFADY-UHFFFAOYSA-N 0 0 196.250 1.395 10 0 ADAERN CCC(=O)O[C@@H](CC)C[C@H](C)O 308014747 572401232 /nfs/dbraw/zinc/40/12/32/572401232.db2.gz QVIIXKOGMBDTDJ-YUMQZZPRSA-N 0 0 174.240 1.489 10 0 ADAERN CCCNC(=O)CCSC(C)=O 238231301 572401308 /nfs/dbraw/zinc/40/13/08/572401308.db2.gz KKQKNZPIEZCNSU-UHFFFAOYSA-N 0 0 189.280 1.182 10 0 ADAERN C/C=C\C(=O)N(C)CCC1CC1 308013825 572401332 /nfs/dbraw/zinc/40/13/32/572401332.db2.gz GVGGDTGMGFHJOK-ARJAWSKDSA-N 0 0 167.252 1.821 10 0 ADAERN CCC(CC)n1cc(CO)nn1 87171801 572401336 /nfs/dbraw/zinc/40/13/36/572401336.db2.gz MOUXFMHJOSZZAL-UHFFFAOYSA-N 0 0 169.228 1.132 10 0 ADAERN C/C=C/C(=O)N(C)CCC1CC1 308013826 572401339 /nfs/dbraw/zinc/40/13/39/572401339.db2.gz GVGGDTGMGFHJOK-ONEGZZNKSA-N 0 0 167.252 1.821 10 0 ADAERN CC[C@H](OC)[C@H](C)[C@H]1C[C@H]1CO 308012959 572401344 /nfs/dbraw/zinc/40/13/44/572401344.db2.gz GPGJSWYELASGTK-RGOKHQFPSA-N 0 0 172.268 1.676 10 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170.208 1.142 10 0 ADAERN O=C1COCc2[nH]c(C3CC3)nc21 76602491 572401570 /nfs/dbraw/zinc/40/15/70/572401570.db2.gz LBUKMVBRTVQUEM-UHFFFAOYSA-N 0 0 178.191 1.000 10 0 ADAERN O=C1CCCC[C@H]1Cc1cocn1 76603195 572401573 /nfs/dbraw/zinc/40/15/73/572401573.db2.gz NSCZENHUJUYKMP-QMMMGPOBSA-N 0 0 179.219 1.976 10 0 ADAERN C/C=C\COC(=O)C1(C)COC1 308014688 572401726 /nfs/dbraw/zinc/40/17/26/572401726.db2.gz GXIGDRNXMFSFQQ-ARJAWSKDSA-N 0 0 170.208 1.142 10 0 ADAERN CC[C@H](C)[C@](C)(C(=O)[O-])[NH+](C)C 308013927 572401734 /nfs/dbraw/zinc/40/17/34/572401734.db2.gz QMZNQFPMDGCSBK-IONNQARKSA-N 0 0 173.256 1.437 10 0 ADAERN O=C1CCNc2cc(O)ccc2N1 76602512 572401746 /nfs/dbraw/zinc/40/17/46/572401746.db2.gz PSTWZLOZIIAWQB-UHFFFAOYSA-N 0 0 178.191 1.146 10 0 ADAERN CCC(=O)[C@H](C)[C@@H](O)C(F)(F)F 238231378 572401791 /nfs/dbraw/zinc/40/17/91/572401791.db2.gz OPTTWXFBLXUFDB-UJURSFKZSA-N 0 0 184.157 1.525 10 0 ADAERN CCCCNC(=O)N[C@@H]1CCC=CO1 238230190 572401837 /nfs/dbraw/zinc/40/18/37/572401837.db2.gz VEUWHJWDEXOHGG-VIFPVBQESA-N 0 0 198.266 1.736 10 0 ADAERN C/C=C\C(=O)O[C@@H]1CCCC[C@@H]1O 206851607 572401843 /nfs/dbraw/zinc/40/18/43/572401843.db2.gz WXKDZKNFSKDQJL-UESWHYPVSA-N 0 0 184.235 1.409 10 0 ADAERN Cn1c(C=O)ccc1[C@H]1CCOC1 76603066 572401847 /nfs/dbraw/zinc/40/18/47/572401847.db2.gz FXWCNJYDUHBDRK-QMMMGPOBSA-N 0 0 179.219 1.342 10 0 ADAERN CN1CCCNc2ccc(O)cc21 76602740 572402901 /nfs/dbraw/zinc/40/29/01/572402901.db2.gz QSHCRVZLLBOHLP-UHFFFAOYSA-N 0 0 178.235 1.644 10 0 ADAERN CCCN(CC)C(=O)NOCC 308013785 572401943 /nfs/dbraw/zinc/40/19/43/572401943.db2.gz GUWRCQHMVQGHPQ-UHFFFAOYSA-N 0 0 174.244 1.379 10 0 ADAERN CCc1nc(C2CCCC2)n(N)c1N 52839482 572401969 /nfs/dbraw/zinc/40/19/69/572401969.db2.gz QKWOXSCAUIBUPI-UHFFFAOYSA-N 0 0 194.282 1.399 10 0 ADAERN CCC(=O)O[C@H](CC)C[C@H](C)O 308014743 572401974 /nfs/dbraw/zinc/40/19/74/572401974.db2.gz QVIIXKOGMBDTDJ-JGVFFNPUSA-N 0 0 174.240 1.489 10 0 ADAERN C[C@H](NCC1CC1)c1ncon1 308012953 572402000 /nfs/dbraw/zinc/40/20/00/572402000.db2.gz GPFBQCBAKYCTFE-LURJTMIESA-N 0 0 167.212 1.130 10 0 ADAERN C[C@@H]1CNc2ccc(O)cc2N1C 76602736 572402939 /nfs/dbraw/zinc/40/29/39/572402939.db2.gz LHTXMAWFEVOMCG-SSDOTTSWSA-N 0 0 178.235 1.642 10 0 ADAERN CCC(CC)c1ncn(N)c1N 52838013 572402072 /nfs/dbraw/zinc/40/20/72/572402072.db2.gz WHTMQVKMEOHOJI-UHFFFAOYSA-N 0 0 168.244 1.083 10 0 ADAERN C[C@H](CO)[C@H]1CCC[C@@H]1CCO 308014701 572402077 /nfs/dbraw/zinc/40/20/77/572402077.db2.gz GXKVPYQLOMYJES-OPRDCNLKSA-N 0 0 172.268 1.414 10 0 ADAERN C[C@H](CO)[C@H]1CCC[C@H]1CCO 308014699 572402093 /nfs/dbraw/zinc/40/20/93/572402093.db2.gz GXKVPYQLOMYJES-KXUCPTDWSA-N 0 0 172.268 1.414 10 0 ADAERN CCCC[C@@H](F)C(F)(F)C(N)=O 238792928 572411048 /nfs/dbraw/zinc/41/10/48/572411048.db2.gz OSMMPPJHBFIPJV-RXMQYKEDSA-N 0 0 183.173 1.635 10 0 ADAERN CC(C)Cc1nc(C2CC2)n(N)c1N 52838947 572402181 /nfs/dbraw/zinc/40/21/81/572402181.db2.gz SWQPAJKLFUEKQW-UHFFFAOYSA-N 0 0 194.282 1.255 10 0 ADAERN CC[C@H](OC)[C@H](C)[C@H]1C[C@@H]1CO 308012958 572402203 /nfs/dbraw/zinc/40/22/03/572402203.db2.gz GPGJSWYELASGTK-KYXWUPHJSA-N 0 0 172.268 1.676 10 0 ADAERN COC[C@H](O)c1ccoc1Cl 234711842 572402256 /nfs/dbraw/zinc/40/22/56/572402256.db2.gz GYLVYGNOOCQKMY-LURJTMIESA-N 0 0 176.599 1.613 10 0 ADAERN Cc1ccc(-c2ncn(N)c2N)cc1 52838077 572402333 /nfs/dbraw/zinc/40/23/33/572402333.db2.gz YLNMITOMLOGDOD-UHFFFAOYSA-N 0 0 188.234 1.155 10 0 ADAERN Cc1nc(C2CCCCC2)n(N)c1N 52839767 572402371 /nfs/dbraw/zinc/40/23/71/572402371.db2.gz FUUPOKFHJCHCKV-UHFFFAOYSA-N 0 0 194.282 1.535 10 0 ADAERN Cc1nc(-c2ccccc2)n(N)c1N 52839179 572402385 /nfs/dbraw/zinc/40/23/85/572402385.db2.gz BZJRSSVKEOWDPR-UHFFFAOYSA-N 0 0 188.234 1.155 10 0 ADAERN CC[C@H](C)c1nc(C(C)C)n(N)c1N 52839880 572402455 /nfs/dbraw/zinc/40/24/55/572402455.db2.gz VHTOCAZMBUXZBS-ZETCQYMHSA-N 0 0 196.298 1.816 10 0 ADAERN CCC(=O)[C@H](C)COC(C)=O 238230545 572402480 /nfs/dbraw/zinc/40/24/80/572402480.db2.gz ZIZJFXZEVIUSHA-ZCFIWIBFSA-N 0 0 158.197 1.165 10 0 ADAERN CCCCCCc1c(N)n(C)[nH]c1=O 238230706 572402486 /nfs/dbraw/zinc/40/24/86/572402486.db2.gz OQEHGAZWXSQGDK-UHFFFAOYSA-N 0 0 197.282 1.418 10 0 ADAERN Cc1cc2c(n1C)C(=O)NCCC2 76602784 572402505 /nfs/dbraw/zinc/40/25/05/572402505.db2.gz RAWVCRWCYLTWRK-UHFFFAOYSA-N 0 0 178.235 1.010 10 0 ADAERN CCC(=O)O[C@H](C)[C@H]1CCOC1 308013780 572402509 /nfs/dbraw/zinc/40/25/09/572402509.db2.gz GUSWYUOOBOZJAQ-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN Cn1ncc(C=O)c1C1CCCC1 76602761 572402513 /nfs/dbraw/zinc/40/25/13/572402513.db2.gz OJDWKEUDPHLVAU-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN O=C1CCCC[C@@H]1Cc1cn[nH]c1 76602690 572402557 /nfs/dbraw/zinc/40/25/57/572402557.db2.gz DPAJOKGOPCVDJX-SECBINFHSA-N 0 0 178.235 1.712 10 0 ADAERN Cc1cc(C[C@@H]2CCCC2=O)[nH]n1 76602682 572402575 /nfs/dbraw/zinc/40/25/75/572402575.db2.gz ASDLPBKCFYTYSZ-QMMMGPOBSA-N 0 0 178.235 1.630 10 0 ADAERN COC[C@H](O)c1ccnc(C)c1 234711753 572402581 /nfs/dbraw/zinc/40/25/81/572402581.db2.gz GWGFSRVZGBJHBW-VIFPVBQESA-N 0 0 167.208 1.070 10 0 ADAERN CCC[C@@H](/C=C/C(=O)OCC)CO 238230432 572402590 /nfs/dbraw/zinc/40/25/90/572402590.db2.gz VIIUJMHZNGOVFQ-UCUJLANTSA-N 0 0 186.251 1.514 10 0 ADAERN CCN1N=C(C)C(C)(C)C1=O 197046038 572402683 /nfs/dbraw/zinc/40/26/83/572402683.db2.gz LCUPWBRFEIEAFO-UHFFFAOYSA-N 0 0 154.213 1.251 10 0 ADAERN Cc1nc(C2CCCCC2)c(N)n1N 52838331 572402705 /nfs/dbraw/zinc/40/27/05/572402705.db2.gz TZZDJHLBOIMTJG-UHFFFAOYSA-N 0 0 194.282 1.535 10 0 ADAERN C[C@H]1CNc2cc(O)ccc2N1C 76602730 572402718 /nfs/dbraw/zinc/40/27/18/572402718.db2.gz OZVQHKILVXOQIR-ZETCQYMHSA-N 0 0 178.235 1.642 10 0 ADAERN C[C@H]1CNc2ccc(O)cc2N1C 76602738 572403211 /nfs/dbraw/zinc/40/32/11/572403211.db2.gz LHTXMAWFEVOMCG-ZETCQYMHSA-N 0 0 178.235 1.642 10 0 ADAERN CC[C@@H](C)c1nc(C(C)C)n(N)c1N 52839878 572402763 /nfs/dbraw/zinc/40/27/63/572402763.db2.gz VHTOCAZMBUXZBS-SSDOTTSWSA-N 0 0 196.298 1.816 10 0 ADAERN C[C@@H](NCC1CC1)c1ncon1 308012955 572402793 /nfs/dbraw/zinc/40/27/93/572402793.db2.gz GPFBQCBAKYCTFE-ZCFIWIBFSA-N 0 0 167.212 1.130 10 0 ADAERN CCCCCCc1c(N)[nH][nH]c1=O 238230683 572402822 /nfs/dbraw/zinc/40/28/22/572402822.db2.gz NDJYZRGUZSLIMB-UHFFFAOYSA-N 0 0 183.255 1.408 10 0 ADAERN COC[C@H](O)c1ccc(Cl)o1 234711297 572402836 /nfs/dbraw/zinc/40/28/36/572402836.db2.gz ICZNFONNZIHBKL-YFKPBYRVSA-N 0 0 176.599 1.613 10 0 ADAERN Cc1cc(C[C@H]2CCCC2=O)[nH]n1 76602686 572402848 /nfs/dbraw/zinc/40/28/48/572402848.db2.gz ASDLPBKCFYTYSZ-MRVPVSSYSA-N 0 0 178.235 1.630 10 0 ADAERN CONC(=O)N(C)[C@@H](C)C(C)C 308015396 572402863 /nfs/dbraw/zinc/40/28/63/572402863.db2.gz PMZVVINSDULXNT-ZETCQYMHSA-N 0 0 174.244 1.234 10 0 ADAERN CN1CCCCn2cc(C=O)cc21 76602763 572402868 /nfs/dbraw/zinc/40/28/68/572402868.db2.gz XNGNUGUOTMILDO-UHFFFAOYSA-N 0 0 178.235 1.531 10 0 ADAERN CC[C@@H](C)[C@](C)(C(=O)[O-])[NH+](C)C 308013928 572402869 /nfs/dbraw/zinc/40/28/69/572402869.db2.gz QMZNQFPMDGCSBK-VXNVDRBHSA-N 0 0 173.256 1.437 10 0 ADAERN CCCNC(=O)CCC(=O)CCC 238230474 572402909 /nfs/dbraw/zinc/40/29/09/572402909.db2.gz IFIDYXSAFGKIBV-UHFFFAOYSA-N 0 0 185.267 1.662 10 0 ADAERN CCCc1ncc(CO)c(CC)n1 238230720 572402886 /nfs/dbraw/zinc/40/28/86/572402886.db2.gz PXWKDJJZZQKKFV-UHFFFAOYSA-N 0 0 180.251 1.484 10 0 ADAERN CCC[C@@](C)(O)C(=O)NC(C)(C)C 238230605 572402961 /nfs/dbraw/zinc/40/29/61/572402961.db2.gz VPZYVYAOFDOUFW-SNVBAGLBSA-N 0 0 187.283 1.452 10 0 ADAERN O=C(OCCO)[C@@H]1C=CCCCC1 238708911 572403053 /nfs/dbraw/zinc/40/30/53/572403053.db2.gz LXFVQVDQZJAMAU-SECBINFHSA-N 0 0 184.235 1.268 10 0 ADAERN C[C@H](CO)[C@@H]1CCC[C@H]1CCO 308014703 572403058 /nfs/dbraw/zinc/40/30/58/572403058.db2.gz GXKVPYQLOMYJES-UTLUCORTSA-N 0 0 172.268 1.414 10 0 ADAERN CCCOC(=O)[C@@H](O)C(C)(C)CC 238230629 572403068 /nfs/dbraw/zinc/40/30/68/572403068.db2.gz WWHPIXHMDDERIR-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN Cn1c(C=O)cc2c1CCCCN2 76602813 572403112 /nfs/dbraw/zinc/40/31/12/572403112.db2.gz CCCXKRPBRXGZQN-UHFFFAOYSA-N 0 0 178.235 1.586 10 0 ADAERN CC[C@@H](C)[C@@](C)(C(=O)[O-])[NH+](C)C 308013925 572403114 /nfs/dbraw/zinc/40/31/14/572403114.db2.gz QMZNQFPMDGCSBK-APPZFPTMSA-N 0 0 173.256 1.437 10 0 ADAERN O=C1CCCC[C@H]1Cc1cn[nH]c1 76602688 572403145 /nfs/dbraw/zinc/40/31/45/572403145.db2.gz DPAJOKGOPCVDJX-VIFPVBQESA-N 0 0 178.235 1.712 10 0 ADAERN c1cc2c(o1)N1CCC[C@@H](CN2)C1 76602753 572403158 /nfs/dbraw/zinc/40/31/58/572403158.db2.gz HHJWCKAKIBOEJK-QMMMGPOBSA-N 0 0 178.235 1.922 10 0 ADAERN CCC[C@@H](OC)C1=NC(=O)CS1 308013964 572403172 /nfs/dbraw/zinc/40/31/72/572403172.db2.gz QRTAOTHDLHJNGM-ZCFIWIBFSA-N 0 0 187.264 1.473 10 0 ADAERN CCC[C@@](C)(O)C(=O)CC[C@@H](C)O 238230519 572403196 /nfs/dbraw/zinc/40/31/96/572403196.db2.gz ZGMWTHZHMFSSFX-PSASIEDQSA-N 0 0 188.267 1.268 10 0 ADAERN c1cc2c(o1)NC[C@H]1CCCN2C1 76602743 572403200 /nfs/dbraw/zinc/40/32/00/572403200.db2.gz YWPXPEQKIBYFAL-MRVPVSSYSA-N 0 0 178.235 1.922 10 0 ADAERN CN1CCc2cc(CON)ccc21 76602825 572403228 /nfs/dbraw/zinc/40/32/28/572403228.db2.gz MXQZNXCICAKPES-UHFFFAOYSA-N 0 0 178.235 1.069 10 0 ADAERN CN1CCCNc2cc(O)ccc21 76602732 572403235 /nfs/dbraw/zinc/40/32/35/572403235.db2.gz NLPZUHATEKYWPO-UHFFFAOYSA-N 0 0 178.235 1.644 10 0 ADAERN C[C@@H]1CNc2cc(O)ccc2N1C 76602727 572403241 /nfs/dbraw/zinc/40/32/41/572403241.db2.gz OZVQHKILVXOQIR-SSDOTTSWSA-N 0 0 178.235 1.642 10 0 ADAERN CCC[C@@](C)(O)C(=O)CC[C@H](C)O 238230528 572403276 /nfs/dbraw/zinc/40/32/76/572403276.db2.gz ZGMWTHZHMFSSFX-WCBMZHEXSA-N 0 0 188.267 1.268 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(C)=C[C@@H](C)C1 234435180 572403315 /nfs/dbraw/zinc/40/33/15/572403315.db2.gz AGKDQMWTRKJEJM-JEZHCXPESA-N 0 0 197.278 1.651 10 0 ADAERN CC(C)OC[C@H](O)[C@@]1(C)CCCO1 87227512 572403453 /nfs/dbraw/zinc/40/34/53/572403453.db2.gz KYFYLMHUUIJSDQ-VHSXEESVSA-N 0 0 188.267 1.341 10 0 ADAERN CCOCc1ccc(C(=O)OC)cn1 87223010 572403487 /nfs/dbraw/zinc/40/34/87/572403487.db2.gz XQXXHNDNRMDZHG-UHFFFAOYSA-N 0 0 195.218 1.405 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1cncnc1 52887599 572403522 /nfs/dbraw/zinc/40/35/22/572403522.db2.gz YUPYVUKBVAAWSE-PSASIEDQSA-N 0 0 180.251 1.730 10 0 ADAERN COCc1ccc(C(=O)OC)cn1 87223008 572403534 /nfs/dbraw/zinc/40/35/34/572403534.db2.gz PVAGPHAXPDDPFR-UHFFFAOYSA-N 0 0 181.191 1.015 10 0 ADAERN CC(C)OCC(=O)[C@@]1(C)CCCO1 87226859 572407241 /nfs/dbraw/zinc/40/72/41/572407241.db2.gz GADPNAJNTJDTRH-SNVBAGLBSA-N 0 0 186.251 1.550 10 0 ADAERN CO[C@H](C(C)=O)[C@@H](C)C(C)C 117109227 572406928 /nfs/dbraw/zinc/40/69/28/572406928.db2.gz JZUFSHCLBIREIT-CBAPKCEASA-N 0 0 158.241 1.883 10 0 ADAERN O=C([O-])c1ccc(C[NH2+]C2CC2)nc1 87223469 572403640 /nfs/dbraw/zinc/40/36/40/572403640.db2.gz XDXVCSIUTKJUFK-UHFFFAOYSA-N 0 0 192.218 1.032 10 0 ADAERN C[C@H]1CCC[C@@](O)(c2cncnc2)C1 52887509 572403702 /nfs/dbraw/zinc/40/37/02/572403702.db2.gz HGGCMDNDRAMVQV-ONGXEEELSA-N 0 0 192.262 1.874 10 0 ADAERN CC(C)(C)OC(=O)CCn1cccn1 87222879 572403706 /nfs/dbraw/zinc/40/37/06/572403706.db2.gz DSZDOOUVSQDMTQ-UHFFFAOYSA-N 0 0 196.250 1.615 10 0 ADAERN 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572416272 /nfs/dbraw/zinc/41/62/72/572416272.db2.gz KURZFHYGOZUNOJ-XPUUQOCRSA-N 0 0 177.219 1.317 10 0 ADAERN CCC[C@H](F)[C@H](O)C(=O)OC(C)C 238236444 572416297 /nfs/dbraw/zinc/41/62/97/572416297.db2.gz JZUHPNIXHAALQH-YUMQZZPRSA-N 0 0 192.230 1.437 10 0 ADAERN C[C@H](NCc1nc[nH]n1)c1ccoc1 87289918 572416339 /nfs/dbraw/zinc/41/63/39/572416339.db2.gz WJCFQIYKYXZKJX-ZETCQYMHSA-N 0 0 192.222 1.249 10 0 ADAERN CCCCC[C@H](O)C1=C[C@H](C)OC1=O 238237101 572416362 /nfs/dbraw/zinc/41/63/62/572416362.db2.gz RVCXAEJFWMFXFC-WPRPVWTQSA-N 0 0 198.262 1.799 10 0 ADAERN CC(C)OCCC[C@@]1(O)CCOC1 689632922 572417043 /nfs/dbraw/zinc/41/70/43/572417043.db2.gz SYSIGJLIVRMZJD-SNVBAGLBSA-N 0 0 188.267 1.343 10 0 ADAERN CC(C)C[C@H](C)[C@@H](O)C(C)(C)O 308018595 572416377 /nfs/dbraw/zinc/41/63/77/572416377.db2.gz SYQADWHRSBNUGQ-DTWKUNHWSA-N 0 0 174.284 1.800 10 0 ADAERN CCC[C@H](F)[C@@H](O)C(=O)OC(C)C 238236380 572416402 /nfs/dbraw/zinc/41/64/02/572416402.db2.gz JZUHPNIXHAALQH-JGVFFNPUSA-N 0 0 192.230 1.437 10 0 ADAERN CCOC(=O)[C@@H]1NCC=C1C(C)C 238796597 572417056 /nfs/dbraw/zinc/41/70/56/572417056.db2.gz NNCWRZLOLFZPHG-SECBINFHSA-N 0 0 183.251 1.104 10 0 ADAERN CCCCO[C@H]1CC[C@H](O)CO1 238236164 572416507 /nfs/dbraw/zinc/41/65/07/572416507.db2.gz NNODKGOZTZXTRQ-DTWKUNHWSA-N 0 0 174.240 1.301 10 0 ADAERN CCC1(C(=O)NCC(C)=O)CCCC1 87316704 572416523 /nfs/dbraw/zinc/41/65/23/572416523.db2.gz POGSIEZOMIWBSE-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@@H](C)c1ccoc1 87307862 572416574 /nfs/dbraw/zinc/41/65/74/572416574.db2.gz TYGBXSSMJVXGMU-QMMMGPOBSA-N 0 0 197.234 1.747 10 0 ADAERN COC(=O)[C@H](C)C(=O)[C@@H]1CC[C@@H](C)C1 83789548 572416629 /nfs/dbraw/zinc/41/66/29/572416629.db2.gz QXPPLCRMNRZBJU-IWSPIJDZSA-N 0 0 198.262 1.801 10 0 ADAERN CCCC(=O)OC(C)(C)C[C@H](C)O 238237365 572416648 /nfs/dbraw/zinc/41/66/48/572416648.db2.gz OMYHWIXKYGVDQQ-QMMMGPOBSA-N 0 0 188.267 1.879 10 0 ADAERN CCc1ccsc1C[NH2+]CC(=O)[O-] 87310448 572416683 /nfs/dbraw/zinc/41/66/83/572416683.db2.gz HEBBPGCWRHZUQY-UHFFFAOYSA-N 0 0 199.275 1.485 10 0 ADAERN CCOC(=O)CC(=O)[C@@H]1CC[C@@H](C)C1 83789524 572417061 /nfs/dbraw/zinc/41/70/61/572417061.db2.gz LVHXRPSRNLFTTA-RKDXNWHRSA-N 0 0 198.262 1.945 10 0 ADAERN C[C@H]([NH3+])[C@@](C)(CC(=O)[O-])c1ccoc1 87307942 572416729 /nfs/dbraw/zinc/41/67/29/572416729.db2.gz PFHFENTUQRCDAY-OIBJUYFYSA-N 0 0 197.234 1.359 10 0 ADAERN CCCC[C@@]1(CC)C[C@@H](N)C(=O)O1 238796333 572416792 /nfs/dbraw/zinc/41/67/92/572416792.db2.gz BWDDOQWTXZEUKG-SCZZXKLOSA-N 0 0 185.267 1.600 10 0 ADAERN CCCC[C@@]1(CC)CCC(=O)N[C@H]1O 238796317 572416807 /nfs/dbraw/zinc/41/68/07/572416807.db2.gz NQYAZIAUSKRMIY-QWRGUYRKSA-N 0 0 199.294 1.801 10 0 ADAERN CCc1nc(COC(C)C)no1 308018614 572416832 /nfs/dbraw/zinc/41/68/32/572416832.db2.gz SETBHLSZIXOIGJ-UHFFFAOYSA-N 0 0 170.212 1.557 10 0 ADAERN CCCNCc1nc([C@H]2C[C@H]2C)no1 83805004 572416863 /nfs/dbraw/zinc/41/68/63/572416863.db2.gz MRLYBDRGSKLIBT-SFYZADRCSA-N 0 0 195.266 1.693 10 0 ADAERN C[C@@H]([NH2+][C@H](C)c1ccoc1)C(=O)[O-] 87290039 572416873 /nfs/dbraw/zinc/41/68/73/572416873.db2.gz LXQWCYCSWDVBKF-RNFRBKRXSA-N 0 0 183.207 1.403 10 0 ADAERN Cc1cscc1C[NH2+]CC(=O)[O-] 87310629 572416954 /nfs/dbraw/zinc/41/69/54/572416954.db2.gz RYOWNGDQNFHJHH-UHFFFAOYSA-N 0 0 185.248 1.231 10 0 ADAERN C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccoc1 87290229 572416964 /nfs/dbraw/zinc/41/69/64/572416964.db2.gz OZNLZBWHNFSVDS-KCJUWKMLSA-N 0 0 195.262 1.701 10 0 ADAERN CC[NH+](CC)CC(=O)C1CCC1 238237383 572416992 /nfs/dbraw/zinc/41/69/92/572416992.db2.gz ORVGKOXTZMPIFZ-UHFFFAOYSA-N 0 0 169.268 1.697 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H](C)c1ccoc1 87307843 572417021 /nfs/dbraw/zinc/41/70/21/572417021.db2.gz VDGYKHQMQGLLHV-SFYZADRCSA-N 0 0 197.234 1.746 10 0 ADAERN C[C@H](NCc1c[nH]cn1)c1ccoc1 87290439 572417869 /nfs/dbraw/zinc/41/78/69/572417869.db2.gz GFDSKKCUQUUNGU-QMMMGPOBSA-N 0 0 191.234 1.854 10 0 ADAERN CCCC[C@@]1(CC)CNC(=O)N1 238796326 572417202 /nfs/dbraw/zinc/41/72/02/572417202.db2.gz GEZMFJATSFVHRK-VIFPVBQESA-N 0 0 170.256 1.638 10 0 ADAERN CCCC[C@@H]1CCC[NH2+][C@@H]1C(=O)[O-] 238794923 572417212 /nfs/dbraw/zinc/41/72/12/572417212.db2.gz JGPJQFLWLZCVRC-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN CC[NH2+]Cc1nc(-c2ccoc2)c[nH]1 87290905 572417235 /nfs/dbraw/zinc/41/72/35/572417235.db2.gz CHCMGLGNQJFMJD-UHFFFAOYSA-N 0 0 191.234 1.779 10 0 ADAERN CCC[C@@]1(CC(C)C)C(=O)CNC1=O 238237463 572417871 /nfs/dbraw/zinc/41/78/71/572417871.db2.gz SMABOOFWYFTUBO-LLVKDONJSA-N 0 0 197.278 1.518 10 0 ADAERN CCCCO[C@@H]1C=CC[C@H](CO)O1 238236543 572417261 /nfs/dbraw/zinc/41/72/61/572417261.db2.gz MSJZTBQFIOFCFX-ZJUUUORDSA-N 0 0 186.251 1.467 10 0 ADAERN CCOC(=O)CC(=O)[C@H]1CC[C@H](C)C1 83789522 572417262 /nfs/dbraw/zinc/41/72/62/572417262.db2.gz LVHXRPSRNLFTTA-IUCAKERBSA-N 0 0 198.262 1.945 10 0 ADAERN Cc1cscc1C[NH2+]CCC(=O)[O-] 87310643 572417268 /nfs/dbraw/zinc/41/72/68/572417268.db2.gz SFPLMYPYGDOBKZ-UHFFFAOYSA-N 0 0 199.275 1.621 10 0 ADAERN C[C@@H]([NH3+])[C@](C)(CC(=O)[O-])c1ccoc1 87307945 572417286 /nfs/dbraw/zinc/41/72/86/572417286.db2.gz PFHFENTUQRCDAY-XCBNKYQSSA-N 0 0 197.234 1.359 10 0 ADAERN CCCC[C@H](O)[C@H]1CC(C)=NO1 238236371 572417287 /nfs/dbraw/zinc/41/72/87/572417287.db2.gz SAIBCHJWVWKBCY-DTWKUNHWSA-N 0 0 171.240 1.702 10 0 ADAERN C[NH2+][C@@H](C)c1c(Cl)c(C)nn1C 107173692 572417312 /nfs/dbraw/zinc/41/73/12/572417312.db2.gz LHSCJSSXNVSTLG-LURJTMIESA-N 0 0 187.674 1.662 10 0 ADAERN CCCNCc1nc([C@@H]2C[C@H]2C)no1 83805002 572417314 /nfs/dbraw/zinc/41/73/14/572417314.db2.gz MRLYBDRGSKLIBT-HTQZYQBOSA-N 0 0 195.266 1.693 10 0 ADAERN CCCCO[P@](=O)(CO)OCC 238237204 572417397 /nfs/dbraw/zinc/41/73/97/572417397.db2.gz SUQSQPZFKLQWLS-LBPRGKRZSA-N 0 0 196.183 1.983 10 0 ADAERN CC(C)[C@H](CO)[NH2+][C@H](C)c1ccoc1 87290502 572417399 /nfs/dbraw/zinc/41/73/99/572417399.db2.gz MCLBUWJUUIAZFU-KOLCDFICSA-N 0 0 197.278 1.947 10 0 ADAERN CCCC[C@@H]([C@H](C)O)C(C)(C)O 238794560 572417432 /nfs/dbraw/zinc/41/74/32/572417432.db2.gz WRBLDYHVYORSHJ-IUCAKERBSA-N 0 0 174.284 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/nfs/dbraw/zinc/41/76/32/572417632.db2.gz ZADDDILTMDREQD-LLVKDONJSA-N 0 0 199.294 1.973 10 0 ADAERN CCCCC[C@H](O)/C(C)=C/CO 238236914 572417665 /nfs/dbraw/zinc/41/76/65/572417665.db2.gz FONOUTYCSVUPHL-PCYYEKQGSA-N 0 0 172.268 1.866 10 0 ADAERN CCCCC/C=C/[C@H](O)CCO 238237065 572417669 /nfs/dbraw/zinc/41/76/69/572417669.db2.gz LPKUBHPLQSYRIO-FGEFZZPRSA-N 0 0 172.268 1.866 10 0 ADAERN CC(C)C[C@@H](C)[C@H](O)C(C)(C)O 308018593 572417673 /nfs/dbraw/zinc/41/76/73/572417673.db2.gz SYQADWHRSBNUGQ-BDAKNGLRSA-N 0 0 174.284 1.800 10 0 ADAERN CC(C)(C)C(=O)NC1(CO)CCCC1 53047049 572417685 /nfs/dbraw/zinc/41/76/85/572417685.db2.gz GEWJPNLOSXDSJF-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CCCCO[P@](C)(=O)NCO 238237236 572417732 /nfs/dbraw/zinc/41/77/32/572417732.db2.gz UTRUVBBRBNGMDM-NSHDSACASA-N 0 0 181.172 1.165 10 0 ADAERN COC(=O)[C@H](C)N[C@H](C)c1ccoc1 87289839 572417746 /nfs/dbraw/zinc/41/77/46/572417746.db2.gz NYBYSEYXSDUKMX-SFYZADRCSA-N 0 0 197.234 1.492 10 0 ADAERN CC[NH2+][C@@H](CC1CCC1)c1nnc[nH]1 83841709 572417766 /nfs/dbraw/zinc/41/77/66/572417766.db2.gz GHNDAIFWJYXBTD-VIFPVBQESA-N 0 0 194.282 1.646 10 0 ADAERN CCCC(=O)N[C@@H](C)C(=O)CCC 238234205 572417801 /nfs/dbraw/zinc/41/78/01/572417801.db2.gz YQNCAGILHMLQQM-QMMMGPOBSA-N 0 0 185.267 1.660 10 0 ADAERN CCCn1cc([C@H](O)[C@@H]2C[C@@H]2C)cn1 83807336 572417832 /nfs/dbraw/zinc/41/78/32/572417832.db2.gz CDHPUMTZSJSSFO-GDPRMGEGSA-N 0 0 194.278 1.983 10 0 ADAERN CCC[C@@H](CC)C(=O)C(=O)OC 238794976 572417843 /nfs/dbraw/zinc/41/78/43/572417843.db2.gz RUUPHLNEPGLEEF-SSDOTTSWSA-N 0 0 172.224 1.555 10 0 ADAERN CCCC[C@H](O)/C=C/CCCO 238237050 572417847 /nfs/dbraw/zinc/41/78/47/572417847.db2.gz JCPWSHIPAQWUEO-YVFTVSHDSA-N 0 0 172.268 1.866 10 0 ADAERN CCC[C@H](N)c1nc([C@@H]2C[C@@H]2C)no1 83805239 572417855 /nfs/dbraw/zinc/41/78/55/572417855.db2.gz GUGUAMQTAYEZNT-RNJXMRFFSA-N 0 0 195.266 1.993 10 0 ADAERN CCCCC[C@H](O)C1=C[C@@H](C)OC1=O 238237084 572417925 /nfs/dbraw/zinc/41/79/25/572417925.db2.gz RVCXAEJFWMFXFC-SCZZXKLOSA-N 0 0 198.262 1.799 10 0 ADAERN C=C/C=C\CC[NH2+][C@H](CCC)C(=O)[O-] 713705541 572417993 /nfs/dbraw/zinc/41/79/93/572417993.db2.gz YQZVJEVPEHZSOI-WWQCOOJYSA-N 0 0 197.278 1.962 10 0 ADAERN C[C@H](c1ccoc1)[N@H+](C)CCC(=O)[O-] 87307861 572417996 /nfs/dbraw/zinc/41/79/96/572417996.db2.gz WTAPVFGWAIISHZ-MRVPVSSYSA-N 0 0 197.234 1.747 10 0 ADAERN CCCCC/C=C/[C@@H](O)CCO 238236487 572418039 /nfs/dbraw/zinc/41/80/39/572418039.db2.gz LPKUBHPLQSYRIO-VQCYPWCPSA-N 0 0 172.268 1.866 10 0 ADAERN CCCC[C@@]1(C)OCCN1CCO 238796279 572418093 /nfs/dbraw/zinc/41/80/93/572418093.db2.gz JCMJLLABMCUXJW-SNVBAGLBSA-N 0 0 187.283 1.217 10 0 ADAERN CSC(C)(C)CN(C)C#N 713911739 572418145 /nfs/dbraw/zinc/41/81/45/572418145.db2.gz GGSXWYOGGTYRLE-UHFFFAOYSA-N 0 0 158.270 1.541 10 0 ADAERN Cc1ccc(C[NH2+][C@H]2CCC[C@H]2O)o1 53037703 572418162 /nfs/dbraw/zinc/41/81/62/572418162.db2.gz FSRSSHZEZSFNHL-WDEREUQCSA-N 0 0 195.262 1.591 10 0 ADAERN CC(C)C[C@@H](C)[C@@H](O)C(C)(C)O 308018601 572418169 /nfs/dbraw/zinc/41/81/69/572418169.db2.gz SYQADWHRSBNUGQ-RKDXNWHRSA-N 0 0 174.284 1.800 10 0 ADAERN COC(=O)[C@H](C)N[C@@H](C)c1ccoc1 87289838 572418207 /nfs/dbraw/zinc/41/82/07/572418207.db2.gz NYBYSEYXSDUKMX-YUMQZZPRSA-N 0 0 197.234 1.492 10 0 ADAERN CCCC[C@@]1(CC)CNC(=O)NC1=O 238796328 572418228 /nfs/dbraw/zinc/41/82/28/572418228.db2.gz FCFRPGCKTURUTN-JTQLQIEISA-N 0 0 198.266 1.412 10 0 ADAERN CCCCC[C@H](O)C(=O)SC 238236798 572418232 /nfs/dbraw/zinc/41/82/32/572418232.db2.gz RQKJNMCBWPSMQN-ZETCQYMHSA-N 0 0 176.281 1.817 10 0 ADAERN CCCC[C@H](O)[C@H]1CCC(=O)N1C 238236421 572418245 /nfs/dbraw/zinc/41/82/45/572418245.db2.gz HNVUHMJSAFBDKY-BDAKNGLRSA-N 0 0 185.267 1.158 10 0 ADAERN CCCCO[C@@H]1C=CC[C@@H](CO)O1 238236560 572418252 /nfs/dbraw/zinc/41/82/52/572418252.db2.gz MSJZTBQFIOFCFX-UWVGGRQHSA-N 0 0 186.251 1.467 10 0 ADAERN CCn1cc(CC(=O)[C@@H]2C[C@@H]2C)cn1 83807219 572418312 /nfs/dbraw/zinc/41/83/12/572418312.db2.gz AGFZTKOUBASAEO-WCBMZHEXSA-N 0 0 192.262 1.671 10 0 ADAERN COC(=O)C(=O)C1CCCCCC1 197148141 572418467 /nfs/dbraw/zinc/41/84/67/572418467.db2.gz LLYRYFJEKPCQFO-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CCCC[C@@H](O)c1occc1CO 238794455 572418481 /nfs/dbraw/zinc/41/84/81/572418481.db2.gz VWPBSMWGADGPSK-SECBINFHSA-N 0 0 184.235 1.996 10 0 ADAERN CCCn1ccnc1[C@H](O)[C@@H]1C[C@@H]1C 83807392 572418503 /nfs/dbraw/zinc/41/85/03/572418503.db2.gz WSUQXHSJQCZYNJ-IVZWLZJFSA-N 0 0 194.278 1.983 10 0 ADAERN CCCC[C@@H]([C@@H](C)O)C(C)(C)O 238794526 572418516 /nfs/dbraw/zinc/41/85/16/572418516.db2.gz WRBLDYHVYORSHJ-BDAKNGLRSA-N 0 0 174.284 1.945 10 0 ADAERN C[C@@H](O)C[C@H]1COC(C)(C)CC1=O 76631545 572418709 /nfs/dbraw/zinc/41/87/09/572418709.db2.gz VELLJAITRQKEEN-SFYZADRCSA-N 0 0 186.251 1.142 10 0 ADAERN C[NH2+][C@H](CC1CCC1)c1nnc[nH]1 83841708 572418560 /nfs/dbraw/zinc/41/85/60/572418560.db2.gz NPQBRASKOXWIFG-MRVPVSSYSA-N 0 0 180.255 1.255 10 0 ADAERN CCCC[C@@H](O)/C=C/CCCO 238794433 572418641 /nfs/dbraw/zinc/41/86/41/572418641.db2.gz JCPWSHIPAQWUEO-VHODGJRUSA-N 0 0 172.268 1.866 10 0 ADAERN CC(C)[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1C(C)C 714412335 572418682 /nfs/dbraw/zinc/41/86/82/572418682.db2.gz QIIRNENIMKVHTF-UWVGGRQHSA-N 0 0 199.294 1.826 10 0 ADAERN CCc1nc(C)nc(C=O)c1Cl 76629837 572418803 /nfs/dbraw/zinc/41/88/03/572418803.db2.gz XDSKQCOJXJQOGS-UHFFFAOYSA-N 0 0 184.626 1.813 10 0 ADAERN c1coc(N[C@H]2CCCSC2)n1 76628948 572418811 /nfs/dbraw/zinc/41/88/11/572418811.db2.gz FDPXNEMVPGGANS-ZETCQYMHSA-N 0 0 184.264 1.982 10 0 ADAERN CC(=O)CNC(=O)CCC(C)(F)F 713915227 572418832 /nfs/dbraw/zinc/41/88/32/572418832.db2.gz MUTVKLDQUGJJEE-UHFFFAOYSA-N 0 0 193.193 1.127 10 0 ADAERN Cc1cnn(-c2cccc(C=O)c2)n1 76632139 572418834 /nfs/dbraw/zinc/41/88/34/572418834.db2.gz LVVRFSKQJHZCJC-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN O[C@@H](CC[C@@H]1CCCO1)c1ncc[nH]1 87340188 572418837 /nfs/dbraw/zinc/41/88/37/572418837.db2.gz RDEWBUIRJKCKHR-IUCAKERBSA-N 0 0 196.250 1.402 10 0 ADAERN c1cc(N[C@@H]2CCCSC2)no1 76628911 572418973 /nfs/dbraw/zinc/41/89/73/572418973.db2.gz IRVWEUDRPUMHDK-SSDOTTSWSA-N 0 0 184.264 1.982 10 0 ADAERN CCCC[C@H](C)C[C@@H]([NH3+])C(=O)[O-] 238796808 572418975 /nfs/dbraw/zinc/41/89/75/572418975.db2.gz YPMMOCARISFQBS-JGVFFNPUSA-N 0 0 173.256 1.615 10 0 ADAERN c1ncc(N[C@H]2CCCSC2)o1 76628894 572418978 /nfs/dbraw/zinc/41/89/78/572418978.db2.gz ZMNLITLXKXJKNP-ZETCQYMHSA-N 0 0 184.264 1.982 10 0 ADAERN CC[NH2+][C@H](CC1CCC1)c1nnc[nH]1 83841710 572418994 /nfs/dbraw/zinc/41/89/94/572418994.db2.gz GHNDAIFWJYXBTD-SECBINFHSA-N 0 0 194.282 1.646 10 0 ADAERN Nc1ccn(CCC2CCC2)n1 306628297 572418998 /nfs/dbraw/zinc/41/89/98/572418998.db2.gz BQSHBQFAFSYVFO-UHFFFAOYSA-N 0 0 165.240 1.656 10 0 ADAERN CCn1cc(CC(=O)[C@@H]2C[C@H]2C)cn1 83807224 572419019 /nfs/dbraw/zinc/41/90/19/572419019.db2.gz AGFZTKOUBASAEO-PSASIEDQSA-N 0 0 192.262 1.671 10 0 ADAERN c1ncc(N[C@@H]2CCCSC2)o1 76628889 572419037 /nfs/dbraw/zinc/41/90/37/572419037.db2.gz ZMNLITLXKXJKNP-SSDOTTSWSA-N 0 0 184.264 1.982 10 0 ADAERN CCCC[C@H](C)C[C@H]([NH2+]C)C(=O)[O-] 238796838 572419058 /nfs/dbraw/zinc/41/90/58/572419058.db2.gz BAUQRLWQQYAXMF-IUCAKERBSA-N 0 0 187.283 1.875 10 0 ADAERN CC[C@@H]1CC(=O)[C@@H](C[C@@H](C)O)CO1 76631502 572419074 /nfs/dbraw/zinc/41/90/74/572419074.db2.gz QARQZCDWIVFLCY-HRDYMLBCSA-N 0 0 186.251 1.142 10 0 ADAERN C[C@@H]1O[C@H](C)CC(=O)[C@H]1C[C@@H](C)O 76631523 572420243 /nfs/dbraw/zinc/42/02/43/572420243.db2.gz YUPMTCRSGXERHC-HXFLIBJXSA-N 0 0 186.251 1.140 10 0 ADAERN C/C=C(\C)C(=O)N[C@@H]1CCO[C@@H]1C 379412712 572419095 /nfs/dbraw/zinc/41/90/95/572419095.db2.gz KTITUPNBORZQBH-AOZRHXBJSA-N 0 0 183.251 1.246 10 0 ADAERN CCCC[C@H](C)COC(=O)[C@@H](C)O 238796792 572419096 /nfs/dbraw/zinc/41/90/96/572419096.db2.gz FZWHZMSBYZBZNP-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN COC[C@](C)(O)c1ccc(C)cc1 53173374 572419132 /nfs/dbraw/zinc/41/91/32/572419132.db2.gz IWEWXPHLJBSFNF-NSHDSACASA-N 0 0 180.247 1.849 10 0 ADAERN C[C@@H](O)C[C@@H]1C(=O)CCOC1(C)C 76631549 572419148 /nfs/dbraw/zinc/41/91/48/572419148.db2.gz VJKLDHFVLYSVBE-HTQZYQBOSA-N 0 0 186.251 1.142 10 0 ADAERN CC(C)[C@H](O)Cc1cccnc1 53130281 572419158 /nfs/dbraw/zinc/41/91/58/572419158.db2.gz YMJDXZHPYJTLNM-SNVBAGLBSA-N 0 0 165.236 1.641 10 0 ADAERN CCOC(=O)/C=C/[C@H](C)[C@@H](C)O 207028854 572419188 /nfs/dbraw/zinc/41/91/88/572419188.db2.gz SNMNXYHMRNFYDS-LXBADBFVSA-N 0 0 172.224 1.123 10 0 ADAERN CCCn1cc([C@H](O)[C@H]2C[C@@H]2C)cn1 83807339 572419240 /nfs/dbraw/zinc/41/92/40/572419240.db2.gz CDHPUMTZSJSSFO-LSJOCFKGSA-N 0 0 194.278 1.983 10 0 ADAERN C/C=C/C(=O)N(C)CC1CCOCC1 87333798 572419244 /nfs/dbraw/zinc/41/92/44/572419244.db2.gz DIOZPUNOECKLKF-ONEGZZNKSA-N 0 0 197.278 1.448 10 0 ADAERN CC12CCC(NC=O)(CC1)CC2 44460202 572419342 /nfs/dbraw/zinc/41/93/42/572419342.db2.gz VNRUATDULRVRQD-UHFFFAOYSA-N 0 0 167.252 1.845 10 0 ADAERN CC[C@H](C)Cn1ccnc1C(N)=S 87343601 572419344 /nfs/dbraw/zinc/41/93/44/572419344.db2.gz CWRUHCPSHPHPFV-ZETCQYMHSA-N 0 0 197.307 1.563 10 0 ADAERN c1ncc(NC2CCSCC2)o1 76628882 572419362 /nfs/dbraw/zinc/41/93/62/572419362.db2.gz JHDPUHRIQPYRGQ-UHFFFAOYSA-N 0 0 184.264 1.982 10 0 ADAERN CCCC[C@H](C)C[C@H]([NH3+])C(=O)[O-] 238796835 572419383 /nfs/dbraw/zinc/41/93/83/572419383.db2.gz YPMMOCARISFQBS-YUMQZZPRSA-N 0 0 173.256 1.615 10 0 ADAERN CCCC(=O)OCCSCCO 238237753 572419384 /nfs/dbraw/zinc/41/93/84/572419384.db2.gz RMXLWJYDOJAPEA-UHFFFAOYSA-N 0 0 192.280 1.055 10 0 ADAERN COC[C@@](C)(O)CC(C)C 53173321 572419404 /nfs/dbraw/zinc/41/94/04/572419404.db2.gz ZKGGSMVXXGEYTN-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN CCCC(=O)OCC[C@H](C)CO 238237869 572419434 /nfs/dbraw/zinc/41/94/34/572419434.db2.gz KQVKBBSOSUWKTA-QMMMGPOBSA-N 0 0 174.240 1.348 10 0 ADAERN O[C@H](CC[C@H]1CCCO1)c1ncc[nH]1 87340190 572419672 /nfs/dbraw/zinc/41/96/72/572419672.db2.gz RDEWBUIRJKCKHR-RKDXNWHRSA-N 0 0 196.250 1.402 10 0 ADAERN O=Cc1nc2sccn2c1Cl 76632099 572419470 /nfs/dbraw/zinc/41/94/70/572419470.db2.gz TZADRPMMHVVBJC-UHFFFAOYSA-N 0 0 186.623 1.862 10 0 ADAERN CCCC[C@H](OC(C)=O)[C@H](C)CO 238237775 572419495 /nfs/dbraw/zinc/41/94/95/572419495.db2.gz XCQUTTSHCXVIGY-SCZZXKLOSA-N 0 0 188.267 1.737 10 0 ADAERN c1nc2cc(NC3COC3)ccc2[nH]1 76633475 572419541 /nfs/dbraw/zinc/41/95/41/572419541.db2.gz RHODSYVIJAJEJF-UHFFFAOYSA-N 0 0 189.218 1.374 10 0 ADAERN CC[C@H](O)Cc1cccnc1 53130276 572419559 /nfs/dbraw/zinc/41/95/59/572419559.db2.gz KKQBMMSNJCPZEM-VIFPVBQESA-N 0 0 151.209 1.395 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]2C[C@@H](O)CC[C@@H]21 76629140 572419564 /nfs/dbraw/zinc/41/95/64/572419564.db2.gz GDYIRTDRSRUOLQ-NZHYYXIDSA-N 0 0 184.279 1.961 10 0 ADAERN CCCC[C@H](O)[C@@H]1OC[C@@H](C)O1 238235566 572419572 /nfs/dbraw/zinc/41/95/72/572419572.db2.gz CEWZBSXDJPRPMP-HRDYMLBCSA-N 0 0 174.240 1.299 10 0 ADAERN c1cc(N[C@H]2CCCSC2)no1 76628917 572419584 /nfs/dbraw/zinc/41/95/84/572419584.db2.gz IRVWEUDRPUMHDK-ZETCQYMHSA-N 0 0 184.264 1.982 10 0 ADAERN COc1nc(C)c(Cl)c(C=O)n1 76632097 572419595 /nfs/dbraw/zinc/41/95/95/572419595.db2.gz GZCHPYIAQZCWLL-UHFFFAOYSA-N 0 0 186.598 1.260 10 0 ADAERN COC(=O)CC[C@H]1CCCC(=O)C1 76628578 572419596 /nfs/dbraw/zinc/41/95/96/572419596.db2.gz WXQCUJQZHHWZLU-MRVPVSSYSA-N 0 0 184.235 1.699 10 0 ADAERN CCC[C@@](C)(O)COC 53173218 572419597 /nfs/dbraw/zinc/41/95/97/572419597.db2.gz VNCMMEXXFPOSDS-SSDOTTSWSA-N 0 0 132.203 1.184 10 0 ADAERN CCCC[C@H](C)/C=C/[C@H](O)CO 238797192 572419626 /nfs/dbraw/zinc/41/96/26/572419626.db2.gz RKTGJPYMTOOSGI-CAFLDADYSA-N 0 0 172.268 1.722 10 0 ADAERN Nc1ccc2nnc(CC3CC3)n2c1 53146581 572419631 /nfs/dbraw/zinc/41/96/31/572419631.db2.gz OJRXBYJGWPZHOC-UHFFFAOYSA-N 0 0 188.234 1.264 10 0 ADAERN C/C=C(\C)C(=O)N[C@@H]1CCO[C@H]1C 379412713 572419665 /nfs/dbraw/zinc/41/96/65/572419665.db2.gz KTITUPNBORZQBH-UFVYQPJESA-N 0 0 183.251 1.246 10 0 ADAERN CCn1cc(CC(=O)[C@H]2C[C@@H]2C)cn1 83807222 572419673 /nfs/dbraw/zinc/41/96/73/572419673.db2.gz AGFZTKOUBASAEO-WPRPVWTQSA-N 0 0 192.262 1.671 10 0 ADAERN COc1cccnc1[C@@H]1CC[C@H](O)C1 235038272 572419712 /nfs/dbraw/zinc/41/97/12/572419712.db2.gz XAIPESMJZRQACW-BDAKNGLRSA-N 0 0 193.246 1.719 10 0 ADAERN CCCC[C@H](C(N)=O)C(=O)CC 238796617 572419757 /nfs/dbraw/zinc/41/97/57/572419757.db2.gz OHBMFOLQYVYQHJ-ZETCQYMHSA-N 0 0 171.240 1.257 10 0 ADAERN O=C1CC[S@@](=O)CC12CCCC2 76631898 572419809 /nfs/dbraw/zinc/41/98/09/572419809.db2.gz VZMMOINVKHEOHB-LBPRGKRZSA-N 0 0 186.276 1.268 10 0 ADAERN O=C(CC[C@H]1CCCO1)c1ncc[nH]1 87339403 572419815 /nfs/dbraw/zinc/41/98/15/572419815.db2.gz SSEZYCGRLYOLDK-MRVPVSSYSA-N 0 0 194.234 1.552 10 0 ADAERN CCCS[C@@](C)(CO)C(C)=O 238237847 572419829 /nfs/dbraw/zinc/41/98/29/572419829.db2.gz UQGZJMJKCBXCPY-QMMMGPOBSA-N 0 0 176.281 1.470 10 0 ADAERN C/C=C(\Cl)CO 13510234 572419854 /nfs/dbraw/zinc/41/98/54/572419854.db2.gz PGWIETAKNLNHNW-RQOWECAXSA-N 0 0 106.552 1.121 10 0 ADAERN CSCC[C@H]1COCC[C@@H]1O 235037446 572419890 /nfs/dbraw/zinc/41/98/90/572419890.db2.gz RLJIEIGPOTZUCG-YUMQZZPRSA-N 0 0 176.281 1.137 10 0 ADAERN C[C@@H](CCCO)Nc1ccc(N)nc1 87344786 572419953 /nfs/dbraw/zinc/41/99/53/572419953.db2.gz RTRJERHQHKDOJV-QMMMGPOBSA-N 0 0 195.266 1.237 10 0 ADAERN CC(C)[C@@H](O)Cc1cccnc1 53130284 572419996 /nfs/dbraw/zinc/41/99/96/572419996.db2.gz YMJDXZHPYJTLNM-JTQLQIEISA-N 0 0 165.236 1.641 10 0 ADAERN CCCCn1ccnc1C(N)=S 87343573 572420003 /nfs/dbraw/zinc/42/00/03/572420003.db2.gz NLCKZIRDIAFORB-UHFFFAOYSA-N 0 0 183.280 1.317 10 0 ADAERN CC1(C)C[C@@H]2C[C@H](O)CC[C@@H]2CO1 76629152 572420016 /nfs/dbraw/zinc/42/00/16/572420016.db2.gz GAQNCJMHCYLDTQ-KXUCPTDWSA-N 0 0 184.279 1.963 10 0 ADAERN CC[C@@H](C)[C@H](C)CC(=O)NC(N)=O 238797396 572420023 /nfs/dbraw/zinc/42/00/23/572420023.db2.gz HDHDIRPMRLVMMP-RNFRBKRXSA-N 0 0 186.255 1.254 10 0 ADAERN C[C@H](O)C[C@H]1C(=O)CCOC1(C)C 76631552 572420049 /nfs/dbraw/zinc/42/00/49/572420049.db2.gz VJKLDHFVLYSVBE-YUMQZZPRSA-N 0 0 186.251 1.142 10 0 ADAERN CC[C@H](C)C[C@@H](O)c1ncc[nH]1 87339705 572420061 /nfs/dbraw/zinc/42/00/61/572420061.db2.gz HKUGQSYCYCQBOY-JGVFFNPUSA-N 0 0 168.240 1.879 10 0 ADAERN 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199.294 1.972 10 0 ADAERN CCCCC[C@H](O)C[C@H]1CC(=O)O1 238237705 572420978 /nfs/dbraw/zinc/42/09/78/572420978.db2.gz DNHQVZHSMLVIGQ-IUCAKERBSA-N 0 0 186.251 1.633 10 0 ADAERN O=C1CC[S@](=O)CC12CCCC2 76631895 572420992 /nfs/dbraw/zinc/42/09/92/572420992.db2.gz VZMMOINVKHEOHB-GFCCVEGCSA-N 0 0 186.276 1.268 10 0 ADAERN COC[C@](C)(O)c1cncc(F)c1 53173252 572421002 /nfs/dbraw/zinc/42/10/02/572421002.db2.gz WJDDILOMCODBHI-VIFPVBQESA-N 0 0 185.198 1.075 10 0 ADAERN O=C(CC[C@@H]1CCCO1)c1ncc[nH]1 87339401 572421006 /nfs/dbraw/zinc/42/10/06/572421006.db2.gz SSEZYCGRLYOLDK-QMMMGPOBSA-N 0 0 194.234 1.552 10 0 ADAERN C[C@H](O)C[C@H]1COC(C)(C)CC1=O 76631542 572421063 /nfs/dbraw/zinc/42/10/63/572421063.db2.gz VELLJAITRQKEEN-YUMQZZPRSA-N 0 0 186.251 1.142 10 0 ADAERN CCN[C@@H](c1ccoc1)c1ncc[nH]1 87341857 572421066 /nfs/dbraw/zinc/42/10/66/572421066.db2.gz BCIRAIGISRZDRR-VIFPVBQESA-N 0 0 191.234 1.702 10 0 ADAERN NC(=O)CC[C@H]1CCCCC1=O 68589521 572421083 /nfs/dbraw/zinc/42/10/83/572421083.db2.gz 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/nfs/dbraw/zinc/42/11/52/572421152.db2.gz GAQNCJMHCYLDTQ-UTLUCORTSA-N 0 0 184.279 1.963 10 0 ADAERN NC(=S)c1nccn1CCC1CC1 87343771 572421154 /nfs/dbraw/zinc/42/11/54/572421154.db2.gz QXTRNHFSKQHEKE-UHFFFAOYSA-N 0 0 195.291 1.317 10 0 ADAERN C[C@@H]1O[C@H](C)CC(=O)[C@@H]1C[C@@H](C)O 76631520 572421172 /nfs/dbraw/zinc/42/11/72/572421172.db2.gz YUPMTCRSGXERHC-LURQLKTLSA-N 0 0 186.251 1.140 10 0 ADAERN C[C@H](CCCO)Nc1ccc(N)nc1 87344788 572421282 /nfs/dbraw/zinc/42/12/82/572421282.db2.gz RTRJERHQHKDOJV-MRVPVSSYSA-N 0 0 195.266 1.237 10 0 ADAERN CC[C@@H]1OCCC(=O)[C@@H]1C[C@@H](C)O 76631516 572421195 /nfs/dbraw/zinc/42/11/95/572421195.db2.gz ROZYJYPQFAWYCL-WEDXCCLWSA-N 0 0 186.251 1.142 10 0 ADAERN O[C@@H](CC[C@H]1CCCO1)c1ncc[nH]1 87340192 572421245 /nfs/dbraw/zinc/42/12/45/572421245.db2.gz RDEWBUIRJKCKHR-BDAKNGLRSA-N 0 0 196.250 1.402 10 0 ADAERN CCN(C=O)Cc1ccccn1 87333581 572421251 /nfs/dbraw/zinc/42/12/51/572421251.db2.gz GBWCLLXNPQNATN-UHFFFAOYSA-N 0 0 164.208 1.060 10 0 ADAERN CCCOC(OCCC)[C@@H](O)CC 238235642 572421252 /nfs/dbraw/zinc/42/12/52/572421252.db2.gz RQUQLJPOHNUISP-VIFPVBQESA-N 0 0 190.283 1.937 10 0 ADAERN CSCC[C@H]1COCC[C@H]1O 235037548 572421260 /nfs/dbraw/zinc/42/12/60/572421260.db2.gz RLJIEIGPOTZUCG-JGVFFNPUSA-N 0 0 176.281 1.137 10 0 ADAERN Cn1ccc(-c2ncc(C=O)cn2)c1 76632174 572421266 /nfs/dbraw/zinc/42/12/66/572421266.db2.gz OYIYSJRTRBGCCK-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN C[C@H](O)C[C@@H]1C(=O)CCOC1(C)C 76631547 572421271 /nfs/dbraw/zinc/42/12/71/572421271.db2.gz VJKLDHFVLYSVBE-JGVFFNPUSA-N 0 0 186.251 1.142 10 0 ADAERN CC[C@@H]1OCCC(=O)[C@H]1C[C@@H](C)O 76631509 572421326 /nfs/dbraw/zinc/42/13/26/572421326.db2.gz ROZYJYPQFAWYCL-MRTMQBJTSA-N 0 0 186.251 1.142 10 0 ADAERN N#CNc1cc(F)c(F)cc1F 61093914 572421334 /nfs/dbraw/zinc/42/13/34/572421334.db2.gz LBJOYRKPGSQHRO-UHFFFAOYSA-N 0 0 172.109 1.997 10 0 ADAERN Cc1c(N)ccc2c(C=O)cn(C)c12 76633027 572422848 /nfs/dbraw/zinc/42/28/48/572422848.db2.gz SPYZQNDJJMAAPH-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN CC[C@@H](C)[C@@H](OC(C)=O)C(N)=S 238796853 572421352 /nfs/dbraw/zinc/42/13/52/572421352.db2.gz UKOFSLXFCMHNKF-IYSWYEEDSA-N 0 0 189.280 1.250 10 0 ADAERN CCO[C@@H](C(=O)OC)C(F)(F)F 197238733 572421387 /nfs/dbraw/zinc/42/13/87/572421387.db2.gz TUKJMZKWFYTKFJ-BYPYZUCNSA-N 0 0 186.129 1.127 10 0 ADAERN Cc1ccnn1-c1ccc(C=O)n1C 76633449 572422420 /nfs/dbraw/zinc/42/24/20/572422420.db2.gz BCGCGJOHISCQNB-UHFFFAOYSA-N 0 0 189.218 1.332 10 0 ADAERN CCC(CC)[C@H](O)c1ncc[nH]1 87340349 572421453 /nfs/dbraw/zinc/42/14/53/572421453.db2.gz BFRRHSIUWGWKGF-QMMMGPOBSA-N 0 0 168.240 1.879 10 0 ADAERN O[C@H](CC[C@@H]1CCCO1)c1ncc[nH]1 87340187 572421464 /nfs/dbraw/zinc/42/14/64/572421464.db2.gz RDEWBUIRJKCKHR-DTWKUNHWSA-N 0 0 196.250 1.402 10 0 ADAERN Cn1cc(-c2cncnc2)cc1C=O 76632164 572421471 /nfs/dbraw/zinc/42/14/71/572421471.db2.gz ANERJLDTCOVDKX-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN CCCCC1(NC(C)=O)CCOCC1 238238311 572421484 /nfs/dbraw/zinc/42/14/84/572421484.db2.gz HUOGJTLAUAOBAI-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN O=C1COCc2[nH]c3ccccc3c21 76632132 572421432 /nfs/dbraw/zinc/42/14/32/572421432.db2.gz PFNUIAMABMPEMM-UHFFFAOYSA-N 0 0 187.198 1.881 10 0 ADAERN CCCC[C@H](OC(C)=O)[C@@H](C)CO 238237722 572421436 /nfs/dbraw/zinc/42/14/36/572421436.db2.gz XCQUTTSHCXVIGY-WPRPVWTQSA-N 0 0 188.267 1.737 10 0 ADAERN CCC(CC)[C@@H](O)c1ncc[nH]1 87340351 572421437 /nfs/dbraw/zinc/42/14/37/572421437.db2.gz BFRRHSIUWGWKGF-MRVPVSSYSA-N 0 0 168.240 1.879 10 0 ADAERN C[C@@H](O)C[C@H]1C(=O)CCOC1(C)C 76631555 572421511 /nfs/dbraw/zinc/42/15/11/572421511.db2.gz VJKLDHFVLYSVBE-SFYZADRCSA-N 0 0 186.251 1.142 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnc2ccc(N)cn12 53146247 572421568 /nfs/dbraw/zinc/42/15/68/572421568.db2.gz NYNIDORRSXDOFB-SVRRBLITSA-N 0 0 188.234 1.435 10 0 ADAERN Cn1c(C=O)ccc1-c1cncnc1 76632155 572421580 /nfs/dbraw/zinc/42/15/80/572421580.db2.gz YQNJYGSWUJLHLA-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN CC[C@@H](C)Cn1ccnc1C(N)=S 87343599 572421588 /nfs/dbraw/zinc/42/15/88/572421588.db2.gz CWRUHCPSHPHPFV-SSDOTTSWSA-N 0 0 197.307 1.563 10 0 ADAERN Cc1cnc(N[C@H]2CCSC2)o1 76628979 572421593 /nfs/dbraw/zinc/42/15/93/572421593.db2.gz SPYCKZHCSXTVIL-ZETCQYMHSA-N 0 0 184.264 1.900 10 0 ADAERN CC[C@@H]1C[C@@H]2C[C@H](O)CC[C@@H]2CO1 76629090 572421628 /nfs/dbraw/zinc/42/16/28/572421628.db2.gz VVOMNAZLMHOVML-LMLFDSFASA-N 0 0 184.279 1.963 10 0 ADAERN Cn1c(C=O)ccc1-c1cccnn1 76632152 572421647 /nfs/dbraw/zinc/42/16/47/572421647.db2.gz QRCSWETURKGQBI-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN C[C@@H](O)C[C@@H]1COC(C)(C)CC1=O 76631536 572421650 /nfs/dbraw/zinc/42/16/50/572421650.db2.gz VELLJAITRQKEEN-HTQZYQBOSA-N 0 0 186.251 1.142 10 0 ADAERN CCOC(=O)/C=C\[C@H](C)[C@@H](C)O 207028808 572421665 /nfs/dbraw/zinc/42/16/65/572421665.db2.gz SNMNXYHMRNFYDS-HFFNOEQQSA-N 0 0 172.224 1.123 10 0 ADAERN CC1CCC(OC[C@H](C)O)CC1 44473681 572421668 /nfs/dbraw/zinc/42/16/68/572421668.db2.gz HCOCUULIGWJNOE-KYHHOPLUSA-N 0 0 172.268 1.963 10 0 ADAERN c1coc(N[C@@H]2CCCSC2)n1 76628944 572421704 /nfs/dbraw/zinc/42/17/04/572421704.db2.gz FDPXNEMVPGGANS-SSDOTTSWSA-N 0 0 184.264 1.982 10 0 ADAERN CCCCCCNC1(C(=O)OC)CC1 197255828 572421711 /nfs/dbraw/zinc/42/17/11/572421711.db2.gz OVUIYDMSIUSRSA-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CCCSC[C@@H](O)COC(C)=O 238235821 572421749 /nfs/dbraw/zinc/42/17/49/572421749.db2.gz QNOYJPJFKQRECK-QMMMGPOBSA-N 0 0 192.280 1.054 10 0 ADAERN c1coc(-c2n[nH]c3c2CC[NH2+]C3)c1 76633473 572421753 /nfs/dbraw/zinc/42/17/53/572421753.db2.gz SNEAXRRVUDBRQF-UHFFFAOYSA-N 0 0 189.218 1.315 10 0 ADAERN CCCOCC(=O)c1ncc[nH]1 87339483 572421762 /nfs/dbraw/zinc/42/17/62/572421762.db2.gz AQMMLDKSOUAYTO-UHFFFAOYSA-N 0 0 168.196 1.019 10 0 ADAERN CCCC(=O)OC[C@H](C)[C@H](O)CC 238238624 572423889 /nfs/dbraw/zinc/42/38/89/572423889.db2.gz CBITYGAIOSGDHW-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN COc1cc(C[C@H](O)C2CC2)sn1 400364391 572421786 /nfs/dbraw/zinc/42/17/86/572421786.db2.gz BYUNPMJCPTXCSP-QMMMGPOBSA-N 0 0 199.275 1.465 10 0 ADAERN C[C@H](O)C(=O)OCC[Si](C)(C)C 197234818 572421821 /nfs/dbraw/zinc/42/18/21/572421821.db2.gz RBLPXXDIVFINFE-ZETCQYMHSA-N 0 0 190.315 1.249 10 0 ADAERN c1cc(NC2COC2)c2nc[nH]c2c1 76633479 572421825 /nfs/dbraw/zinc/42/18/25/572421825.db2.gz DRWKTSDUDWSWGX-UHFFFAOYSA-N 0 0 189.218 1.374 10 0 ADAERN CCOC(=O)[C@@H]1N[C@H](C)C(CC)=C1C 238796655 572421851 /nfs/dbraw/zinc/42/18/51/572421851.db2.gz OFFNBYJJHRJWJH-PSASIEDQSA-N 0 0 197.278 1.636 10 0 ADAERN COC[C@@](C)(O)c1ccc(C)cc1 53173373 572421877 /nfs/dbraw/zinc/42/18/77/572421877.db2.gz IWEWXPHLJBSFNF-LLVKDONJSA-N 0 0 180.247 1.849 10 0 ADAERN Cc1[nH]c(C[C@H](C)[NH3+])c(C)c1C(=O)[O-] 44461315 572421883 /nfs/dbraw/zinc/42/18/83/572421883.db2.gz QNBDUORWEJFHCZ-YFKPBYRVSA-N 0 0 196.250 1.219 10 0 ADAERN CCCCNC(=S)CC(C)=O 238235724 572421886 /nfs/dbraw/zinc/42/18/86/572421886.db2.gz IMVVOHKZAOENEI-UHFFFAOYSA-N 0 0 173.281 1.683 10 0 ADAERN C[C@H](CCCO)Nc1cccc(N)c1 87344792 572421928 /nfs/dbraw/zinc/42/19/28/572421928.db2.gz YDIBUZNEFXGFNI-SECBINFHSA-N 0 0 194.278 1.842 10 0 ADAERN C=COCCCNC(=O)/C=C/C 87333713 572421932 /nfs/dbraw/zinc/42/19/32/572421932.db2.gz HVZVGAAYFBTJFN-ZZXKWVIFSA-N 0 0 169.224 1.229 10 0 ADAERN CC[C@@H](C)[C@@H](SCC[NH3+])C(=O)[O-] 238796865 572421943 /nfs/dbraw/zinc/42/19/43/572421943.db2.gz WACPQMYJGMLNMM-RNFRBKRXSA-N 0 0 191.296 1.178 10 0 ADAERN [NH3+]Cc1ccn2nc(C3CC3)nc2c1 107173890 572421954 /nfs/dbraw/zinc/42/19/54/572421954.db2.gz JUZMENLBSJIZIT-UHFFFAOYSA-N 0 0 188.234 1.065 10 0 ADAERN COC[C@@](C)(O)c1cncc(F)c1 53173251 572421963 /nfs/dbraw/zinc/42/19/63/572421963.db2.gz WJDDILOMCODBHI-SECBINFHSA-N 0 0 185.198 1.075 10 0 ADAERN O[C@H](CCC(F)(F)F)c1ncc[nH]1 87339959 572421968 /nfs/dbraw/zinc/42/19/68/572421968.db2.gz PRGGPXOUCXUWMP-RXMQYKEDSA-N 0 0 194.156 1.786 10 0 ADAERN CCCC[C@H](CC)CNC(=O)NO 238797447 572421973 /nfs/dbraw/zinc/42/19/73/572421973.db2.gz KKZKINGUSXGPFY-QMMMGPOBSA-N 0 0 188.271 1.891 10 0 ADAERN CCCOCC/C(Cl)=C/CO 238237845 572422027 /nfs/dbraw/zinc/42/20/27/572422027.db2.gz UTFJOXSFZSBCCV-BAQGIRSFSA-N 0 0 178.659 1.918 10 0 ADAERN CC(C)OCC(=O)c1ncc[nH]1 87339413 572422084 /nfs/dbraw/zinc/42/20/84/572422084.db2.gz GUALMRLCYZTNJA-UHFFFAOYSA-N 0 0 168.196 1.017 10 0 ADAERN COCc1cccc(C[NH2+]C2CC2)n1 234720435 572423931 /nfs/dbraw/zinc/42/39/31/572423931.db2.gz HSHBAMYHGANGLM-UHFFFAOYSA-N 0 0 192.262 1.480 10 0 ADAERN CC(C)CC[C@@H](O)c1ncc[nH]1 87339775 572422241 /nfs/dbraw/zinc/42/22/41/572422241.db2.gz DEENOHNDSQEOGK-MRVPVSSYSA-N 0 0 168.240 1.879 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc2ccc(N)cn12 53146249 572422283 /nfs/dbraw/zinc/42/22/83/572422283.db2.gz NYNIDORRSXDOFB-XPUUQOCRSA-N 0 0 188.234 1.435 10 0 ADAERN CCOC(=O)[C@H](C)C1=C[C@H](O)CCC1 238798128 572422396 /nfs/dbraw/zinc/42/23/96/572422396.db2.gz WIUDGXZQASYSRW-PSASIEDQSA-N 0 0 198.262 1.657 10 0 ADAERN CC(C)CC[C@H](O)c1ncc[nH]1 87339773 572422445 /nfs/dbraw/zinc/42/24/45/572422445.db2.gz DEENOHNDSQEOGK-QMMMGPOBSA-N 0 0 168.240 1.879 10 0 ADAERN CCOC(=O)[C@H](C)[C@@H]1CC[C@@H](O)C1 238798347 572422446 /nfs/dbraw/zinc/42/24/46/572422446.db2.gz CWZKEEAWBYQCTI-IWSPIJDZSA-N 0 0 186.251 1.347 10 0 ADAERN CCOC(=O)[C@H](CC)CC[C@@H](C)O 238798520 572422461 /nfs/dbraw/zinc/42/24/61/572422461.db2.gz CZHINQDTWGSVKM-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)CCCCC 238238462 572422470 /nfs/dbraw/zinc/42/24/70/572422470.db2.gz KHOGGORFUXWFCG-HKNWZPKJSA-N 0 0 172.268 1.865 10 0 ADAERN Cc1c(C=O)c2cc(N)ccc2n1C 76633006 572422550 /nfs/dbraw/zinc/42/25/50/572422550.db2.gz QGLMHZDOKYBBPY-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN COC[C@](C)(O)c1ccccc1C 53173380 572422581 /nfs/dbraw/zinc/42/25/81/572422581.db2.gz JWAPDYSWWMBSJP-NSHDSACASA-N 0 0 180.247 1.849 10 0 ADAERN C/C=C/C(=O)N(C)C[C@@H]1C[C@@H]1C 87333799 572422600 /nfs/dbraw/zinc/42/26/00/572422600.db2.gz BQGWYRHEOCUZQB-HXQNXIEXSA-N 0 0 167.252 1.677 10 0 ADAERN CC(=O)c1cc2ccc(N)cc2n1C 76632986 572422627 /nfs/dbraw/zinc/42/26/27/572422627.db2.gz HLXNZESGGUPZHW-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN Cn1cc(-c2ccc(C=O)n2C)cn1 76633432 572422655 /nfs/dbraw/zinc/42/26/55/572422655.db2.gz MKUIIUAETOVZKO-UHFFFAOYSA-N 0 0 189.218 1.238 10 0 ADAERN CC(C)(C)[C@@]1(CCCO)CO1 196633997 572423944 /nfs/dbraw/zinc/42/39/44/572423944.db2.gz SOAQSIAGPUINJA-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CC[C@@H](C)[C@H](OC(C)=O)C(N)=S 238798229 572422715 /nfs/dbraw/zinc/42/27/15/572422715.db2.gz UKOFSLXFCMHNKF-VDTYLAMSSA-N 0 0 189.280 1.250 10 0 ADAERN Cc1nccn1-c1ccc(C=O)n1C 76633452 572422729 /nfs/dbraw/zinc/42/27/29/572422729.db2.gz UTSQZJCXCKNVLD-UHFFFAOYSA-N 0 0 189.218 1.332 10 0 ADAERN Cc1c[nH]nc1-c1ccc(C=O)n1C 76633441 572422736 /nfs/dbraw/zinc/42/27/36/572422736.db2.gz KVKMJASXPGSSPS-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN CC[N@@H+]1CCCC[C@H]1C[C@H](C)C(=O)[O-] 250340812 572422738 /nfs/dbraw/zinc/42/27/38/572422738.db2.gz PTMZBKTYVSMELR-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN O=C(CCC(F)(F)F)c1ncc[nH]1 87339565 572422669 /nfs/dbraw/zinc/42/26/69/572422669.db2.gz FXRQZKSOGHPGDX-UHFFFAOYSA-N 0 0 192.140 1.935 10 0 ADAERN Cc1cc(-c2cc(N)cn2C)ncn1 76633037 572422676 /nfs/dbraw/zinc/42/26/76/572422676.db2.gz AWZBSHUUAKVTFK-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1ccc([C@H](O)C(=O)OC(C)C)o1 197232661 572422686 /nfs/dbraw/zinc/42/26/86/572422686.db2.gz XDRNYIZVGIFCQT-VIFPVBQESA-N 0 0 198.218 1.573 10 0 ADAERN CCOC(=O)[C@H](C)[C@@H](O)[C@@H](C)CC 238798336 572422687 /nfs/dbraw/zinc/42/26/87/572422687.db2.gz JKQZDYNEMFREIK-YIZRAAEISA-N 0 0 188.267 1.593 10 0 ADAERN COC[C@](C)(O)CC(C)C 53173322 572422772 /nfs/dbraw/zinc/42/27/72/572422772.db2.gz ZKGGSMVXXGEYTN-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN Cc1c(C=O)n(C)c2cc(N)ccc12 76633014 572422785 /nfs/dbraw/zinc/42/27/85/572422785.db2.gz PGJCKBHOPJPCBE-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN COC(=O)[C@H](C)C/C=C/C=C(\C)CO 238798565 572422789 /nfs/dbraw/zinc/42/27/89/572422789.db2.gz HAMXBTQCENWNSJ-ANJVYBHSSA-N 0 0 198.262 1.680 10 0 ADAERN C/C=C/C(=O)N[C@H](CCC)COC 87333815 572422813 /nfs/dbraw/zinc/42/28/13/572422813.db2.gz BGXOFFCXDXPSHM-VPIOIWJLSA-N 0 0 185.267 1.494 10 0 ADAERN Cc1cc(-c2nc(C=O)c[nH]2)cn1C 76633466 572422829 /nfs/dbraw/zinc/42/28/29/572422829.db2.gz JDRAABDNVYUXLF-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN CCCC[C@@](C)(O)[C@@H](C)CO 238796020 572422836 /nfs/dbraw/zinc/42/28/36/572422836.db2.gz MNMGDIDKOBDTHR-DTWKUNHWSA-N 0 0 160.257 1.556 10 0 ADAERN Cc1nc2cc(C=O)n(C)c2nc1C 76633424 572422843 /nfs/dbraw/zinc/42/28/43/572422843.db2.gz JMMBVKFWBWNBAY-UHFFFAOYSA-N 0 0 189.218 1.398 10 0 ADAERN C[C@@H]1C[C@H]1c1nnc2ccc(N)cn12 53146254 572422857 /nfs/dbraw/zinc/42/28/57/572422857.db2.gz NYNIDORRSXDOFB-HTRCEHHLSA-N 0 0 188.234 1.435 10 0 ADAERN O[C@@H](CCC1CC1)c1ncc[nH]1 87339732 572422861 /nfs/dbraw/zinc/42/28/61/572422861.db2.gz YYYPMVXWYVIAJH-QMMMGPOBSA-N 0 0 166.224 1.633 10 0 ADAERN COCOc1cnccc1[C@@H](C)O 117146605 572422868 /nfs/dbraw/zinc/42/28/68/572422868.db2.gz YANBPZJYAJGEIU-SSDOTTSWSA-N 0 0 183.207 1.118 10 0 ADAERN Cc1nccc(-c2cc(N)cn2C)n1 76633036 572422874 /nfs/dbraw/zinc/42/28/74/572422874.db2.gz CJNYFXIJDSXWET-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC[C@@H](C)[C@](C)(CO)COC(N)=O 238798416 572422895 /nfs/dbraw/zinc/42/28/95/572422895.db2.gz NTLLTIIZSVITAG-VXNVDRBHSA-N 0 0 189.255 1.126 10 0 ADAERN CCOC(=O)[C@H](C)[C@@H](O)C=C(C)C 238798331 572422900 /nfs/dbraw/zinc/42/29/00/572422900.db2.gz OAINEVQGXPCILD-BDAKNGLRSA-N 0 0 186.251 1.513 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1ncc[nH]1 87339703 572422932 /nfs/dbraw/zinc/42/29/32/572422932.db2.gz HKUGQSYCYCQBOY-HTQZYQBOSA-N 0 0 168.240 1.879 10 0 ADAERN O=C1c2ccccc2N[C@@H]2OCC[C@H]12 76633355 572422934 /nfs/dbraw/zinc/42/29/34/572422934.db2.gz VRQZNGDIROTSFL-LDYMZIIASA-N 0 0 189.214 1.657 10 0 ADAERN O[C@@H](CCC(F)(F)F)c1ncc[nH]1 87339961 572422955 /nfs/dbraw/zinc/42/29/55/572422955.db2.gz PRGGPXOUCXUWMP-YFKPBYRVSA-N 0 0 194.156 1.786 10 0 ADAERN CCCCCn1ccnc1C(N)=S 87343721 572422965 /nfs/dbraw/zinc/42/29/65/572422965.db2.gz CAHNGRBBXQDIAL-UHFFFAOYSA-N 0 0 197.307 1.708 10 0 ADAERN O=[S@]1CC[C@H](O)C2(CCCC2)C1 76633260 572422974 /nfs/dbraw/zinc/42/29/74/572422974.db2.gz WGCCOPJDQYOTCJ-QPUJVOFHSA-N 0 0 188.292 1.060 10 0 ADAERN CCOC(=O)[C@H](C)Nc1cccnc1 238798271 572422993 /nfs/dbraw/zinc/42/29/93/572422993.db2.gz QJDLUAAKZSDEEF-QMMMGPOBSA-N 0 0 194.234 1.445 10 0 ADAERN O=[S@@]1CC[C@H](O)C2(CCCC2)C1 76633261 572423033 /nfs/dbraw/zinc/42/30/33/572423033.db2.gz WGCCOPJDQYOTCJ-UFBFGSQYSA-N 0 0 188.292 1.060 10 0 ADAERN CCOC(=O)[C@@H](OC)C(F)(F)F 197240609 572423036 /nfs/dbraw/zinc/42/30/36/572423036.db2.gz GAJZAZSIMQHEJT-SCSAIBSYSA-N 0 0 186.129 1.127 10 0 ADAERN CCCCC[C@H](O)[C@@H]1CCOC1=O 238238607 572423038 /nfs/dbraw/zinc/42/30/38/572423038.db2.gz WVRDZCYKNJMVLD-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN COC(=O)[C@H](C)CC/C=C(/C)CO 238798576 572423045 /nfs/dbraw/zinc/42/30/45/572423045.db2.gz PABMTGXCABNYKA-BZJXQOFCSA-N 0 0 186.251 1.514 10 0 ADAERN CC(C)CCn1ccnc1C(N)=S 87343477 572423055 /nfs/dbraw/zinc/42/30/55/572423055.db2.gz IJBQVHRLVVBSMN-UHFFFAOYSA-N 0 0 197.307 1.563 10 0 ADAERN c1ccc2c(NC3COC3)c[nH]c2c1 76632958 572423065 /nfs/dbraw/zinc/42/30/65/572423065.db2.gz ADFRKJCRUYEKFG-UHFFFAOYSA-N 0 0 188.230 1.979 10 0 ADAERN Cc1cc(-c2ccn(C)c2C=O)n[nH]1 76633446 572423088 /nfs/dbraw/zinc/42/30/88/572423088.db2.gz RDVWPCGHHFDJPN-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN CN1C(=O)CCc2cccc(C=O)c21 76633358 572423140 /nfs/dbraw/zinc/42/31/40/572423140.db2.gz QOTJGVSIMFYPGR-UHFFFAOYSA-N 0 0 189.214 1.408 10 0 ADAERN C[C@H](CCCO)Nc1ncccc1N 87344840 572423142 /nfs/dbraw/zinc/42/31/42/572423142.db2.gz KNRYIJRKFGIIJB-MRVPVSSYSA-N 0 0 195.266 1.237 10 0 ADAERN Cc1ccnn1-c1cc(C=O)cn1C 76633448 572423238 /nfs/dbraw/zinc/42/32/38/572423238.db2.gz OMUVHNWYPHTXQJ-UHFFFAOYSA-N 0 0 189.218 1.332 10 0 ADAERN CCOC(=O)[C@H](C)[C@H]1CC[C@@H](O)C1 238798367 572423196 /nfs/dbraw/zinc/42/31/96/572423196.db2.gz CWZKEEAWBYQCTI-HRDYMLBCSA-N 0 0 186.251 1.347 10 0 ADAERN Cc1ncc(-c2cc(N)cn2C)cn1 76633029 572423209 /nfs/dbraw/zinc/42/32/09/572423209.db2.gz VLFHRWHKKSIBLN-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)OCCC[C@H](C)O 44469691 572423281 /nfs/dbraw/zinc/42/32/81/572423281.db2.gz KIGHYSWTOKIWPC-QMMMGPOBSA-N 0 0 146.230 1.572 10 0 ADAERN CCOC(=O)[C@H](C)[C@@H](O)c1ccco1 238798339 572423351 /nfs/dbraw/zinc/42/33/51/572423351.db2.gz OHXBVOLLJDMFML-VXNVDRBHSA-N 0 0 198.218 1.512 10 0 ADAERN CCCC(=O)OC[C@H](C)[C@@H](O)CC 238238613 572423385 /nfs/dbraw/zinc/42/33/85/572423385.db2.gz CBITYGAIOSGDHW-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN Cn1ccc(-c2ncn(C)c2C=O)c1 76633469 572423403 /nfs/dbraw/zinc/42/34/03/572423403.db2.gz VFLBAVAIGREYBZ-UHFFFAOYSA-N 0 0 189.218 1.238 10 0 ADAERN CC(C)C(=O)C1CCS(=O)CC1 76633245 572423439 /nfs/dbraw/zinc/42/34/39/572423439.db2.gz CCIBOMYXUXWFDD-UHFFFAOYSA-N 0 0 188.292 1.370 10 0 ADAERN Cc1c(C=O)n(C)c2c(N)cccc12 76633019 572423911 /nfs/dbraw/zinc/42/39/11/572423911.db2.gz INXRMWBJNSUCFE-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN Cn1ccc(Br)c1C=O 76632828 572423549 /nfs/dbraw/zinc/42/35/49/572423549.db2.gz GDQATZYJLQPGQD-UHFFFAOYSA-N 0 0 188.024 1.600 10 0 ADAERN O=C1COCc2[nH]c3ncccc3c21 76632857 572423556 /nfs/dbraw/zinc/42/35/56/572423556.db2.gz OTAGUQJZBNUJEE-UHFFFAOYSA-N 0 0 188.186 1.276 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CCCC1=O 196628180 572423585 /nfs/dbraw/zinc/42/35/85/572423585.db2.gz CPOXBCUQRNTGOV-IONNQARKSA-N 0 0 170.252 1.763 10 0 ADAERN CCOC(=O)[C@H](C)/C=C/CCO 238798379 572423917 /nfs/dbraw/zinc/42/39/17/572423917.db2.gz QVMFYDYEDLVBBT-YZCDNWJKSA-N 0 0 172.224 1.124 10 0 ADAERN Cn1ccc(N)c1Cc1ccccn1 76632473 572423614 /nfs/dbraw/zinc/42/36/14/572423614.db2.gz BXSVLVGRTANWDU-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN CC(C)C(=O)[C@H]1CCC[S@@](=O)C1 76633250 572423668 /nfs/dbraw/zinc/42/36/68/572423668.db2.gz SGHVEWRZGMBZMA-UFBFGSQYSA-N 0 0 188.292 1.370 10 0 ADAERN Cc1ncc(-c2c(N)ccn2C)cn1 76633042 572423684 /nfs/dbraw/zinc/42/36/84/572423684.db2.gz NMEGSJVCTYEOEX-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CNC(=O)OCc1cccc(C)n1 196628759 572423692 /nfs/dbraw/zinc/42/36/92/572423692.db2.gz VAXJBXINJYXYSQ-UHFFFAOYSA-N 0 0 180.207 1.246 10 0 ADAERN CC[C@H](C(C)=O)[NH+]1CCCCC1 196624861 572423734 /nfs/dbraw/zinc/42/37/34/572423734.db2.gz RDAVRJRRXPWHBH-SNVBAGLBSA-N 0 0 169.268 1.840 10 0 ADAERN COC1=CC(C)(C)C=C[C@@H]1O 196630106 572423752 /nfs/dbraw/zinc/42/37/52/572423752.db2.gz MQLRGQRFDYKWQU-ZETCQYMHSA-N 0 0 154.209 1.474 10 0 ADAERN CCCCOC/C=C\C(=O)OCC 308017973 572423755 /nfs/dbraw/zinc/42/37/55/572423755.db2.gz JZCIZCKECSHYNE-SREVYHEPSA-N 0 0 186.251 1.922 10 0 ADAERN CC(C)C(=O)[C@@H]1CCC[S@](=O)C1 76633253 572423780 /nfs/dbraw/zinc/42/37/80/572423780.db2.gz SGHVEWRZGMBZMA-PRHODGIISA-N 0 0 188.292 1.370 10 0 ADAERN CC(=O)Cc1cc(C)cc(=O)o1 196623164 572423781 /nfs/dbraw/zinc/42/37/81/572423781.db2.gz UPLUKCSTOVHTMV-UHFFFAOYSA-N 0 0 166.176 1.080 10 0 ADAERN CC(=O)c1cc2c(N)cccc2n1C 76632989 572423806 /nfs/dbraw/zinc/42/38/06/572423806.db2.gz ZMNCKGRXHBOWPD-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN CC1CCC(OC[C@@H](C)O)CC1 44473678 572423824 /nfs/dbraw/zinc/42/38/24/572423824.db2.gz HCOCUULIGWJNOE-HWOCKDDLSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)(C)CC[C@](C)(O)C(N)=O 308018549 572423835 /nfs/dbraw/zinc/42/38/35/572423835.db2.gz SWXUOGIIKIKZBT-VIFPVBQESA-N 0 0 173.256 1.049 10 0 ADAERN Cc1nccnc1-c1cc(N)cn1C 76633032 572423842 /nfs/dbraw/zinc/42/38/42/572423842.db2.gz GMAMDAIPPGAJTC-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1n[nH]cc1-c1cc(C=O)n(C)c1 76633463 572423846 /nfs/dbraw/zinc/42/38/46/572423846.db2.gz DXJXRULONAMTQE-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN Cc1nc(C)c2c(C=O)cn(C)c2n1 76633426 572423849 /nfs/dbraw/zinc/42/38/49/572423849.db2.gz DZNSCPWSCVIXNL-UHFFFAOYSA-N 0 0 189.218 1.398 10 0 ADAERN CS(=O)(=O)[C@@H]1CC=CCC1 196635438 572423852 /nfs/dbraw/zinc/42/38/52/572423852.db2.gz VUJCYPPJTJDSBY-SSDOTTSWSA-N 0 0 160.238 1.140 10 0 ADAERN Cc1nccn1-c1cc(C=O)cn1C 76633454 572423856 /nfs/dbraw/zinc/42/38/56/572423856.db2.gz DMCFUIGDMAZWDR-UHFFFAOYSA-N 0 0 189.218 1.332 10 0 ADAERN O=C1C[C@H](O)C[C@@H](c2ccccc2)C1 196629059 572424001 /nfs/dbraw/zinc/42/40/01/572424001.db2.gz FFWRTXPMBXORGA-GHMZBOCLSA-N 0 0 190.242 1.884 10 0 ADAERN CC(C)(C)[C@]1(CO)CCCO1 196633966 572424166 /nfs/dbraw/zinc/42/41/66/572424166.db2.gz UQCQYZDSTSPSRT-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CCCCOc1cc(N)cnn1 238238671 572424065 /nfs/dbraw/zinc/42/40/65/572424065.db2.gz JBQATVPVLVGEMB-UHFFFAOYSA-N 0 0 167.212 1.238 10 0 ADAERN Cc1c(C=O)n(C)c2cccc(N)c12 76633017 572424084 /nfs/dbraw/zinc/42/40/84/572424084.db2.gz OCZFNNKULCUPTG-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN CCOC(=O)[C@H](C)[C@H](O)[C@@H](C)CC 238798363 572424102 /nfs/dbraw/zinc/42/41/02/572424102.db2.gz JKQZDYNEMFREIK-DJLDLDEBSA-N 0 0 188.267 1.593 10 0 ADAERN COC(=O)[C@H](C)Oc1ccnc(C)c1 238798901 572424122 /nfs/dbraw/zinc/42/41/22/572424122.db2.gz ITFTYDJLAMKSHO-QMMMGPOBSA-N 0 0 195.218 1.330 10 0 ADAERN Cn1ccc2cc(N)c3c(c21)CCO3 76633003 572424163 /nfs/dbraw/zinc/42/41/63/572424163.db2.gz YUPIBTFFARMXOX-UHFFFAOYSA-N 0 0 188.230 1.695 10 0 ADAERN CC(C)[C@@H](O)[C@H](O)c1ccccc1 196624560 572424360 /nfs/dbraw/zinc/42/43/60/572424360.db2.gz RSURBISPNUISDE-GHMZBOCLSA-N 0 0 180.247 1.737 10 0 ADAERN Cn1ccc(-c2cc(C=O)n(C)c2)n1 76633461 572424358 /nfs/dbraw/zinc/42/43/58/572424358.db2.gz XZWPALNKYBREIP-UHFFFAOYSA-N 0 0 189.218 1.238 10 0 ADAERN Cc1ccc2cc(C=O)c(N)nc2c1 196635695 572424381 /nfs/dbraw/zinc/42/43/81/572424381.db2.gz AUFMOWTXDSJLQM-UHFFFAOYSA-N 0 0 186.214 1.938 10 0 ADAERN Cc1ccncc1-c1cc(N)cn1C 76632464 572424420 /nfs/dbraw/zinc/42/44/20/572424420.db2.gz CRJFGCMYULHNTL-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1cc(N)c2c(c1)c(C=O)cn2C 76633011 572424437 /nfs/dbraw/zinc/42/44/37/572424437.db2.gz XKWIBOJNQFTDTF-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN COC(=O)[C@H](C)Oc1ccncc1 238798904 572424900 /nfs/dbraw/zinc/42/49/00/572424900.db2.gz QRTYMYWBUGJLAA-ZETCQYMHSA-N 0 0 181.191 1.022 10 0 ADAERN CC(C)CCCOC[C@@H](C)O 44473739 572424460 /nfs/dbraw/zinc/42/44/60/572424460.db2.gz BVNHUHDKTDZSBA-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CCCCC[C@H](O)[C@@H](O)[C@@H](C)OC 238238429 572424470 /nfs/dbraw/zinc/42/44/70/572424470.db2.gz UFCFKLGWSOAUJJ-UTLUCORTSA-N 0 0 190.283 1.323 10 0 ADAERN CC1(C)CC(=O)[C@@]1(C)Cl 196636680 572424547 /nfs/dbraw/zinc/42/45/47/572424547.db2.gz PRMGKWZMHZTVPD-SSDOTTSWSA-N 0 0 146.617 1.983 10 0 ADAERN CC[C@@H](C)[C@H](SCC[NH3+])C(=O)[O-] 238798231 572424563 /nfs/dbraw/zinc/42/45/63/572424563.db2.gz WACPQMYJGMLNMM-RQJHMYQMSA-N 0 0 191.296 1.178 10 0 ADAERN Cc1[nH]c(C[C@@H](C)[NH3+])c(C)c1C(=O)[O-] 44461314 572424572 /nfs/dbraw/zinc/42/45/72/572424572.db2.gz QNBDUORWEJFHCZ-RXMQYKEDSA-N 0 0 196.250 1.219 10 0 ADAERN CC(C)[C@@H](O)[C@@H](O)c1ccccc1 196624572 572424573 /nfs/dbraw/zinc/42/45/73/572424573.db2.gz RSURBISPNUISDE-MNOVXSKESA-N 0 0 180.247 1.737 10 0 ADAERN CCCC(=O)OCSCCO 238238123 572426815 /nfs/dbraw/zinc/42/68/15/572426815.db2.gz ALRJXGQQZIPIKA-UHFFFAOYSA-N 0 0 178.253 1.013 10 0 ADAERN Cc1cc(N)cc2c(C=O)cn(C)c12 76633021 572424598 /nfs/dbraw/zinc/42/45/98/572424598.db2.gz BNKMXGRPTJMYMI-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN O=C1C[C@@H](c2ccccc2)C[C@@H](O)C1 196629068 572424601 /nfs/dbraw/zinc/42/46/01/572424601.db2.gz FFWRTXPMBXORGA-WDEREUQCSA-N 0 0 190.242 1.884 10 0 ADAERN CCCNN(CCC)C(=S)NC 238238352 572424645 /nfs/dbraw/zinc/42/46/45/572424645.db2.gz HNIAVOGQHMEPMN-UHFFFAOYSA-N 0 0 189.328 1.117 10 0 ADAERN CC(C)C(=O)[C@H]1CCC[S@](=O)C1 76633257 572424649 /nfs/dbraw/zinc/42/46/49/572424649.db2.gz SGHVEWRZGMBZMA-QPUJVOFHSA-N 0 0 188.292 1.370 10 0 ADAERN Cc1ccc(N)c2c1c(C=O)cn2C 76633026 572424661 /nfs/dbraw/zinc/42/46/61/572424661.db2.gz NYXDKZGBXKBNLJ-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN Nc1cccc2c3c([nH]c12)COCC3 76632984 572424677 /nfs/dbraw/zinc/42/46/77/572424677.db2.gz WWWJOUSWDJYFMV-UHFFFAOYSA-N 0 0 188.230 1.823 10 0 ADAERN CCC(=O)C[C@@H](O)[C@H](C)CC 238798211 572424723 /nfs/dbraw/zinc/42/47/23/572424723.db2.gz BDDOUYLJEBGZMV-VXNVDRBHSA-N 0 0 158.241 1.763 10 0 ADAERN Cc1ccc2c(c(C=O)cn2C)c1N 76633009 572424730 /nfs/dbraw/zinc/42/47/30/572424730.db2.gz FPTJORMVVULAKK-UHFFFAOYSA-N 0 0 188.230 1.881 10 0 ADAERN CC(C)[C@H](O)[C@@H](O)c1ccccc1 196624566 572424732 /nfs/dbraw/zinc/42/47/32/572424732.db2.gz RSURBISPNUISDE-QWRGUYRKSA-N 0 0 180.247 1.737 10 0 ADAERN CC[C@@]12C[C@@H](CCC1=O)OC2=O 196624527 572424735 /nfs/dbraw/zinc/42/47/35/572424735.db2.gz IPOBBGSGZFVOTG-HZGVNTEJSA-N 0 0 168.192 1.061 10 0 ADAERN COCCCCOC1CC1 196625058 572424766 /nfs/dbraw/zinc/42/47/66/572424766.db2.gz NOOMGNWZBKRPJN-UHFFFAOYSA-N 0 0 144.214 1.592 10 0 ADAERN CCC[C@@H]1CC=C[C@@H]1O 196622020 572424772 /nfs/dbraw/zinc/42/47/72/572424772.db2.gz IYBWSUFZFYYBLW-SFYZADRCSA-N 0 0 126.199 1.724 10 0 ADAERN CCC[C@@H]1CC=C[C@H]1O 196622034 572424787 /nfs/dbraw/zinc/42/47/87/572424787.db2.gz IYBWSUFZFYYBLW-HTQZYQBOSA-N 0 0 126.199 1.724 10 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196624792 572425522 /nfs/dbraw/zinc/42/55/22/572425522.db2.gz IBYYJSVEIJEDKE-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN Cc1nc(-c2ccn(C)c2)[nH]c1C=O 76633444 572425531 /nfs/dbraw/zinc/42/55/31/572425531.db2.gz CIPVEXHCUBWSSR-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN CCOC(=O)[C@H](CC)C(=O)CF 238798513 572425532 /nfs/dbraw/zinc/42/55/32/572425532.db2.gz CFFVCDNZCGQHME-ZCFIWIBFSA-N 0 0 176.187 1.114 10 0 ADAERN Cn1cc(N)cc1Cc1ccncc1 76632486 572425537 /nfs/dbraw/zinc/42/55/37/572425537.db2.gz QGYDGBZWURUKKV-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN Cc1nc2c(C=O)cn(C)c2nc1C 76633420 572425550 /nfs/dbraw/zinc/42/55/50/572425550.db2.gz LKHABFTYFCBKKV-UHFFFAOYSA-N 0 0 189.218 1.398 10 0 ADAERN CN1C(=O)CCc2c(C=O)cccc21 76633362 572425556 /nfs/dbraw/zinc/42/55/56/572425556.db2.gz ZHNWDPWUWXGNEL-UHFFFAOYSA-N 0 0 189.214 1.408 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H]1CCCC1=O 196628194 572425562 /nfs/dbraw/zinc/42/55/62/572425562.db2.gz CPOXBCUQRNTGOV-CBAPKCEASA-N 0 0 170.252 1.763 10 0 ADAERN 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/nfs/dbraw/zinc/42/63/72/572426372.db2.gz IBYYJSVEIJEDKE-POYBYMJQSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@]12CC[C@H]1CCC2=O 196622744 572426395 /nfs/dbraw/zinc/42/63/95/572426395.db2.gz RDPYRVKMKNWRMD-SVRRBLITSA-N 0 0 124.183 1.766 10 0 ADAERN COC(=O)[C@H](C)Cc1c[nH]c(C=O)c1 238798724 572426433 /nfs/dbraw/zinc/42/64/33/572426433.db2.gz FNEPIWGTKIQQIW-SSDOTTSWSA-N 0 0 195.218 1.179 10 0 ADAERN O=c1ccc2cccn2cc1 196623588 572426467 /nfs/dbraw/zinc/42/64/67/572426467.db2.gz FZJAZGANDXSBKF-UHFFFAOYSA-N 0 0 145.161 1.300 10 0 ADAERN Cc1cccc2c1-n1cnnc1CN2 76631398 572426493 /nfs/dbraw/zinc/42/64/93/572426493.db2.gz WWSPYLCXKOVCSO-UHFFFAOYSA-N 0 0 186.218 1.501 10 0 ADAERN Cc1nnc(Cc2ccccc2N)[nH]1 53200700 572426551 /nfs/dbraw/zinc/42/65/51/572426551.db2.gz BAIYHYHWDXDDAK-UHFFFAOYSA-N 0 0 188.234 1.286 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H]1CCCC1=O 196628147 572426571 /nfs/dbraw/zinc/42/65/71/572426571.db2.gz CPOXBCUQRNTGOV-VXNVDRBHSA-N 0 0 170.252 1.763 10 0 ADAERN CCO[C@@H](CC)C1=NC(=O)CS1 308019574 572426630 /nfs/dbraw/zinc/42/66/30/572426630.db2.gz TXYJGSSSEUDSPM-LURJTMIESA-N 0 0 187.264 1.473 10 0 ADAERN C[C@@H](CN(C)C=O)C1=CC=CC1 207120583 572428209 /nfs/dbraw/zinc/42/82/09/572428209.db2.gz LXWNAOMZLJXCRK-VIFPVBQESA-N 0 0 165.236 1.597 10 0 ADAERN CC(=O)CCc1nc([C@@H]2C[C@@H]2C)no1 83810823 572426755 /nfs/dbraw/zinc/42/67/55/572426755.db2.gz BEVMKOYESQWMQV-POYBYMJQSA-N 0 0 194.234 1.715 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)CC(C)=O 238798969 572426821 /nfs/dbraw/zinc/42/68/21/572426821.db2.gz ACYWMIPSLOKAFZ-HTRCEHHLSA-N 0 0 172.224 1.411 10 0 ADAERN CC(C)(C)NCC(=O)OC1CCCC1 83823718 572426830 /nfs/dbraw/zinc/42/68/30/572426830.db2.gz BUKQWMFJTNJCPK-UHFFFAOYSA-N 0 0 199.294 1.860 10 0 ADAERN CC(C)CCN(C)C(=O)n1ccnc1 88329898 572426864 /nfs/dbraw/zinc/42/68/64/572426864.db2.gz MGPUSYLIDMAYOD-UHFFFAOYSA-N 0 0 195.266 1.829 10 0 ADAERN CCCC(=O)OC[C@@H](C)CCO 238238152 572426897 /nfs/dbraw/zinc/42/68/97/572426897.db2.gz JQVONDNSAUGDLF-QMMMGPOBSA-N 0 0 174.240 1.348 10 0 ADAERN COCCc1ccc([C@@H](C)O)cc1 88330595 572426931 /nfs/dbraw/zinc/42/69/31/572426931.db2.gz LTOLRTRMYFLVAF-SECBINFHSA-N 0 0 180.247 1.929 10 0 ADAERN C[C@H](CC[NH+]1CCCC1)C(=O)[O-] 83823357 572428232 /nfs/dbraw/zinc/42/82/32/572428232.db2.gz HCZNTFJDUVRWEK-MRVPVSSYSA-N 0 0 171.240 1.193 10 0 ADAERN C[C@H]1CC[N@H+](C)C[C@H](CC(=O)[O-])C1 76630779 572426987 /nfs/dbraw/zinc/42/69/87/572426987.db2.gz IKOFQYAJQCDHRG-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](CC[NH+]1CCCC1)C(=O)[O-] 83823356 572427007 /nfs/dbraw/zinc/42/70/07/572427007.db2.gz HCZNTFJDUVRWEK-QMMMGPOBSA-N 0 0 171.240 1.193 10 0 ADAERN CC1(C)C[C@H](CC(=O)C[NH3+])CCO1 76630715 572427022 /nfs/dbraw/zinc/42/70/22/572427022.db2.gz DMIHHRXTZNZSFT-QMMMGPOBSA-N 0 0 185.267 1.110 10 0 ADAERN CCCS[C@H](CCC)C(N)=O 238237961 572427030 /nfs/dbraw/zinc/42/70/30/572427030.db2.gz FDEYMIXXAPDJLZ-SSDOTTSWSA-N 0 0 175.297 1.784 10 0 ADAERN O=c1s[nH]cc1Br 687827660 572427118 /nfs/dbraw/zinc/42/71/18/572427118.db2.gz SHOSCKXXSZRAKP-UHFFFAOYSA-N 0 0 180.026 1.611 10 0 ADAERN Cc1ccc2c(c1)-n1cnnc1CN2 76631401 572427129 /nfs/dbraw/zinc/42/71/29/572427129.db2.gz GQGZTAMBPLIADF-UHFFFAOYSA-N 0 0 186.218 1.501 10 0 ADAERN C[NH+](C)CC[C@@H]1[C@H](C(=O)[O-])C1(C)C 76630783 572427134 /nfs/dbraw/zinc/42/71/34/572427134.db2.gz ZZTMXSDLXIQHTD-HTQZYQBOSA-N 0 0 185.267 1.295 10 0 ADAERN C[C@@H](CCCO)Nc1ccncn1 87360683 572427198 /nfs/dbraw/zinc/42/71/98/572427198.db2.gz ZWCYYNFJDSYPSM-QMMMGPOBSA-N 0 0 181.239 1.050 10 0 ADAERN CC/C=C\C(=O)O[C@H]1CCOC1 308019799 572427224 /nfs/dbraw/zinc/42/72/24/572427224.db2.gz TYFWKSSBPJCHAY-VEMNSZJBSA-N 0 0 170.208 1.285 10 0 ADAERN C[C@H](CCCO)NCC(F)F 87359910 572427244 /nfs/dbraw/zinc/42/72/44/572427244.db2.gz XQWRXSJVLZSUBP-ZCFIWIBFSA-N 0 0 167.199 1.002 10 0 ADAERN CCCCC[C@H](O)[C@@H](C)[C@@H](C)O 238238043 572427245 /nfs/dbraw/zinc/42/72/45/572427245.db2.gz ZWXZZVAKOCRPGQ-AEJSXWLSSA-N 0 0 174.284 1.945 10 0 ADAERN c1ccc2c(c1)CCN[C@@H]2c1ncc[nH]1 83619059 572427847 /nfs/dbraw/zinc/42/78/47/572427847.db2.gz FHJXRVIYBCYHAR-NSHDSACASA-N 0 0 199.257 1.645 10 0 ADAERN CC(=O)CCc1nc([C@@H]2C[C@H]2C)no1 83810822 572427450 /nfs/dbraw/zinc/42/74/50/572427450.db2.gz BEVMKOYESQWMQV-HTRCEHHLSA-N 0 0 194.234 1.715 10 0 ADAERN C[C@H]1[C@@H](CCC(=O)[O-])CCC[N@@H+]1C 76630635 572427477 /nfs/dbraw/zinc/42/74/77/572427477.db2.gz SJEGPPLRYNNANV-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)[C@H]([NH2+]C1CCC1)C(=O)[O-] 44481971 572427478 /nfs/dbraw/zinc/42/74/78/572427478.db2.gz YXVAIQCNQJWIMP-QMMMGPOBSA-N 0 0 171.240 1.238 10 0 ADAERN [NH3+][C@H]1CCCC[C@H](CCC(=O)[O-])C1 76630685 572427533 /nfs/dbraw/zinc/42/75/33/572427533.db2.gz XDNCAEAOHJKPHG-BDAKNGLRSA-N 0 0 185.267 1.759 10 0 ADAERN C[C@H]1CC[C@@H](CCC(=O)[O-])C[N@@H+]1C 76630619 572428082 /nfs/dbraw/zinc/42/80/82/572428082.db2.gz AGLYMLHZJPGQCB-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccc2c(c1)NCc1nncn1-2 76631405 572427594 /nfs/dbraw/zinc/42/75/94/572427594.db2.gz BEHHAYGJZGNOHX-UHFFFAOYSA-N 0 0 186.218 1.501 10 0 ADAERN CC(C)OC(=O)N[C@@H](C)CCCO 87361175 572427523 /nfs/dbraw/zinc/42/75/23/572427523.db2.gz ZBFFXIJFPDGGOJ-QMMMGPOBSA-N 0 0 189.255 1.282 10 0 ADAERN COC(=O)c1cccc2nc(C)cn12 197306056 572427671 /nfs/dbraw/zinc/42/76/71/572427671.db2.gz KMRPKHGVCIJBOZ-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN Cc1ccc([C@@H](O)[C@H](O)C2CC2)cn1 235917822 572427673 /nfs/dbraw/zinc/42/76/73/572427673.db2.gz PKIGLXZUQJROOH-GHMZBOCLSA-N 0 0 193.246 1.194 10 0 ADAERN Cc1ccc(N[C@H](C)CCCO)nc1 87360518 572427684 /nfs/dbraw/zinc/42/76/84/572427684.db2.gz PHZRNJDMCKYEJS-SNVBAGLBSA-N 0 0 194.278 1.963 10 0 ADAERN C[C@H]1[C@@H](CC(=O)[O-])CC[C@@H](C)[N@H+]1C 76630589 572428250 /nfs/dbraw/zinc/42/82/50/572428250.db2.gz ACLYPOQPHMUTSK-HRDYMLBCSA-N 0 0 185.267 1.580 10 0 ADAERN CNC(C)(C)c1nc(C(C)(C)C)no1 61151353 572427714 /nfs/dbraw/zinc/42/77/14/572427714.db2.gz XYXNTWVAPFSGQZ-UHFFFAOYSA-N 0 0 197.282 1.822 10 0 ADAERN C[NH+](C)CCCCCCC(=O)[O-] 83822487 572427750 /nfs/dbraw/zinc/42/77/50/572427750.db2.gz OKGNNQZGPSVQSQ-UHFFFAOYSA-N 0 0 173.256 1.583 10 0 ADAERN C[NH+](C)CC[C@H]1[C@@H](C(=O)[O-])C1(C)C 76630792 572427823 /nfs/dbraw/zinc/42/78/23/572427823.db2.gz ZZTMXSDLXIQHTD-YUMQZZPRSA-N 0 0 185.267 1.295 10 0 ADAERN CCn1cc(NC2CCC2)ccc1=O 44481764 572427829 /nfs/dbraw/zinc/42/78/29/572427829.db2.gz HKNHCOYPZILXAL-UHFFFAOYSA-N 0 0 192.262 1.833 10 0 ADAERN CC/C=C\C(=O)O[C@@H]1CCOC1 308019797 572427832 /nfs/dbraw/zinc/42/78/32/572427832.db2.gz TYFWKSSBPJCHAY-TUUFMJSCSA-N 0 0 170.208 1.285 10 0 ADAERN C/C=C1/CO[C@H](C)[C@@H]1CC(C)=O 208790431 572427883 /nfs/dbraw/zinc/42/78/83/572427883.db2.gz GWJINWXYCCAAFS-OVGMLNDJSA-N 0 0 168.236 1.947 10 0 ADAERN COc1cc2cccc(N)c2[nH]1 687827663 572427962 /nfs/dbraw/zinc/42/79/62/572427962.db2.gz QEETUHUVPDDQOX-UHFFFAOYSA-N 0 0 162.192 1.759 10 0 ADAERN CCO[C@@H]1C=CCC[C@H]1O 196638985 572428045 /nfs/dbraw/zinc/42/80/45/572428045.db2.gz ZQQCGALKMMEMJU-HTQZYQBOSA-N 0 0 142.198 1.102 10 0 ADAERN CC/C=C/C(=O)O[C@H]1CCOC1 308019796 572428062 /nfs/dbraw/zinc/42/80/62/572428062.db2.gz TYFWKSSBPJCHAY-RTMURIBGSA-N 0 0 170.208 1.285 10 0 ADAERN CCCC(=O)OC[C@@H](C)[C@H](O)CC 238238205 572428763 /nfs/dbraw/zinc/42/87/63/572428763.db2.gz CBITYGAIOSGDHW-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN [NH3+][C@@H]1CCCC[C@@H](CCC(=O)[O-])C1 76630680 572428091 /nfs/dbraw/zinc/42/80/91/572428091.db2.gz XDNCAEAOHJKPHG-DTWKUNHWSA-N 0 0 185.267 1.759 10 0 ADAERN C/C=C1\CO[C@@H](C)[C@@H]1CC(C)=O 208790529 572428095 /nfs/dbraw/zinc/42/80/95/572428095.db2.gz GWJINWXYCCAAFS-MKRZIEAHSA-N 0 0 168.236 1.947 10 0 ADAERN [NH3+][C@H]1CCCC[C@@H](CCC(=O)[O-])C1 76630675 572428104 /nfs/dbraw/zinc/42/81/04/572428104.db2.gz XDNCAEAOHJKPHG-IUCAKERBSA-N 0 0 185.267 1.759 10 0 ADAERN C[C@H](O)[C@@]1(C)CCCCC1=O 208789554 572428110 /nfs/dbraw/zinc/42/81/10/572428110.db2.gz PQQOVAPFVVQDHA-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H](CCCO)Nc1ncns1 87360609 572428164 /nfs/dbraw/zinc/42/81/64/572428164.db2.gz OCKLRDLKAPXUQR-LURJTMIESA-N 0 0 187.268 1.111 10 0 ADAERN CCN(CC1CC1)[S@](C)(=N)=O 404514264 572428328 /nfs/dbraw/zinc/42/83/28/572428328.db2.gz HVHAJMQMZAHAGE-NSHDSACASA-N 0 0 176.285 1.310 10 0 ADAERN C[N@@H+]1CCC(C)(C)C[C@@H](C(=O)[O-])C1 76630766 572428335 /nfs/dbraw/zinc/42/83/35/572428335.db2.gz BTPAZNZNZQQNIL-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN CCCC[C@@H](/C=C/CO)OC 238237985 572428305 /nfs/dbraw/zinc/42/83/05/572428305.db2.gz JOCWIUROBUGEHP-IWGCBNPKSA-N 0 0 158.241 1.740 10 0 ADAERN CC(C)OC(=O)N[C@H](C)CCCO 87361176 572428317 /nfs/dbraw/zinc/42/83/17/572428317.db2.gz ZBFFXIJFPDGGOJ-MRVPVSSYSA-N 0 0 189.255 1.282 10 0 ADAERN COCCc1ccc([C@H](C)O)cc1 88330594 572428372 /nfs/dbraw/zinc/42/83/72/572428372.db2.gz LTOLRTRMYFLVAF-VIFPVBQESA-N 0 0 180.247 1.929 10 0 ADAERN C[NH+](C)CC[C@@H]1[C@@H](C(=O)[O-])C1(C)C 76630790 572428382 /nfs/dbraw/zinc/42/83/82/572428382.db2.gz ZZTMXSDLXIQHTD-SFYZADRCSA-N 0 0 185.267 1.295 10 0 ADAERN C/C=C1/CO[C@@H](C)[C@@H]1CC(C)=O 208790498 572428450 /nfs/dbraw/zinc/42/84/50/572428450.db2.gz GWJINWXYCCAAFS-UKSCLKOJSA-N 0 0 168.236 1.947 10 0 ADAERN C[NH+](C)CC[C@@]1(C(=O)[O-])CC1(C)C 76630798 572428393 /nfs/dbraw/zinc/42/83/93/572428393.db2.gz GWLAYFQEGUHWOV-JTQLQIEISA-N 0 0 185.267 1.439 10 0 ADAERN COc1ccc(F)cc1CCON 76629968 572428400 /nfs/dbraw/zinc/42/84/00/572428400.db2.gz LKFDCIRJGJAFFW-UHFFFAOYSA-N 0 0 185.198 1.267 10 0 ADAERN Cc1cccnc1N[C@H](C)CCCO 87360602 572428407 /nfs/dbraw/zinc/42/84/07/572428407.db2.gz HETRTNDMEWGQSM-SNVBAGLBSA-N 0 0 194.278 1.963 10 0 ADAERN C=C/C(=C/C)[C@@H](NCCC)C(=O)OC 238239371 572428453 /nfs/dbraw/zinc/42/84/53/572428453.db2.gz WGPFRGWZAASRAE-UJICNMFASA-N 0 0 197.278 1.660 10 0 ADAERN C[C@H]1[C@H](CC(=O)[O-])CC[C@@H](C)[N@H+]1C 76630594 572428432 /nfs/dbraw/zinc/42/84/32/572428432.db2.gz ACLYPOQPHMUTSK-VGMNWLOBSA-N 0 0 185.267 1.580 10 0 ADAERN CC(C)C[C@]1(C)CC[C@H](C(=O)[O-])[NH2+]1 76630806 572428504 /nfs/dbraw/zinc/42/85/04/572428504.db2.gz IFSCPXPJNLQRDE-SCZZXKLOSA-N 0 0 185.267 1.628 10 0 ADAERN CO[C@H](N)C(Cl)(Cl)Cl 196637716 572428530 /nfs/dbraw/zinc/42/85/30/572428530.db2.gz UEPUGXURKFJIBC-REOHCLBHSA-N 0 0 178.446 1.288 10 0 ADAERN C[C@@H]1[C@H](CCC(=O)[O-])CCC[N@@H+]1C 76630623 572428566 /nfs/dbraw/zinc/42/85/66/572428566.db2.gz SJEGPPLRYNNANV-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](CCCO)NCC(F)(F)F 87359721 572428577 /nfs/dbraw/zinc/42/85/77/572428577.db2.gz GVPHXSVQLYEXGI-LURJTMIESA-N 0 0 185.189 1.299 10 0 ADAERN COC(=O)/C=C\c1ccc(C=O)n1C 687824118 572428581 /nfs/dbraw/zinc/42/85/81/572428581.db2.gz UCIHCQIUUXJFPK-WAYWQWQTSA-N 0 0 193.202 1.024 10 0 ADAERN C[N@@H+]1CCCC[C@H](CCC(=O)[O-])C1 76630597 572428585 /nfs/dbraw/zinc/42/85/85/572428585.db2.gz JCYXJVMGIVMRMS-SECBINFHSA-N 0 0 185.267 1.583 10 0 ADAERN CC(=S)CC(=O)NC(=O)C(C)C 207119692 572428592 /nfs/dbraw/zinc/42/85/92/572428592.db2.gz XICFQIDZNXKLAH-GQCTYLIASA-N 0 0 187.264 1.119 10 0 ADAERN CCCCC[C@@]1(C)NC(=O)NC1=O 83825727 572428598 /nfs/dbraw/zinc/42/85/98/572428598.db2.gz ZCZARJLJMRQNRB-SECBINFHSA-N 0 0 184.239 1.165 10 0 ADAERN C[N@@H+]1CCCC[C@@H](CCC(=O)[O-])C1 76630602 572428609 /nfs/dbraw/zinc/42/86/09/572428609.db2.gz JCYXJVMGIVMRMS-VIFPVBQESA-N 0 0 185.267 1.583 10 0 ADAERN C[C@H]1CC[C@H](CCC(=O)[O-])C[N@@H+]1C 76630613 572428643 /nfs/dbraw/zinc/42/86/43/572428643.db2.gz AGLYMLHZJPGQCB-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN [NH3+][C@@H]1CCCC[C@H](CCC(=O)[O-])C1 76630690 572428666 /nfs/dbraw/zinc/42/86/66/572428666.db2.gz XDNCAEAOHJKPHG-RKDXNWHRSA-N 0 0 185.267 1.759 10 0 ADAERN C[C@@H]1[C@@H](CCC(=O)[O-])CCC[N@@H+]1C 76630631 572428681 /nfs/dbraw/zinc/42/86/81/572428681.db2.gz SJEGPPLRYNNANV-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H](CCCO)Nc1nncs1 87360554 572428725 /nfs/dbraw/zinc/42/87/25/572428725.db2.gz JXLQXBMGXKFRHC-ZCFIWIBFSA-N 0 0 187.268 1.111 10 0 ADAERN Cc1cc2n(c1)-c1nnccc1NC2 76631392 572429086 /nfs/dbraw/zinc/42/90/86/572429086.db2.gz JAPXKYGHBHELCE-UHFFFAOYSA-N 0 0 186.218 1.501 10 0 ADAERN C[NH+](C)CC[C@]1(C(=O)[O-])CC1(C)C 76630804 572428847 /nfs/dbraw/zinc/42/88/47/572428847.db2.gz GWLAYFQEGUHWOV-SNVBAGLBSA-N 0 0 185.267 1.439 10 0 ADAERN Cn1cc(-c2ccccn2)cc1C=O 76631377 572428904 /nfs/dbraw/zinc/42/89/04/572428904.db2.gz FYLWKDLMBHHFLV-UHFFFAOYSA-N 0 0 186.214 1.900 10 0 ADAERN Cc1cccnc1N[C@@H](C)CCCO 87360601 572428906 /nfs/dbraw/zinc/42/89/06/572428906.db2.gz HETRTNDMEWGQSM-JTQLQIEISA-N 0 0 194.278 1.963 10 0 ADAERN Cn1c2ccccc2c2c(O)c[nH]c21 76631390 572428913 /nfs/dbraw/zinc/42/89/13/572428913.db2.gz LDDUQWUNBMZALB-UHFFFAOYSA-N 0 0 186.214 1.787 10 0 ADAERN CC1(C)C[C@@H](CC(=O)C[NH3+])CCO1 76630722 572428929 /nfs/dbraw/zinc/42/89/29/572428929.db2.gz DMIHHRXTZNZSFT-MRVPVSSYSA-N 0 0 185.267 1.110 10 0 ADAERN C[C@H]1[C@H](CCC(=O)[O-])CCC[N@@H+]1C 76630626 572428939 /nfs/dbraw/zinc/42/89/39/572428939.db2.gz SJEGPPLRYNNANV-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN C[NH2+]C(C)(C)c1nnc(C(C)C)[nH]1 61151981 572428968 /nfs/dbraw/zinc/42/89/68/572428968.db2.gz XNNJTOHGEAFCSF-UHFFFAOYSA-N 0 0 182.271 1.383 10 0 ADAERN C[C@@H](CCCO)Nc1nncs1 87360553 572428977 /nfs/dbraw/zinc/42/89/77/572428977.db2.gz JXLQXBMGXKFRHC-LURJTMIESA-N 0 0 187.268 1.111 10 0 ADAERN CCCCC[C@H](O)[C@@H](F)C(=O)OC 238238184 572429009 /nfs/dbraw/zinc/42/90/09/572429009.db2.gz MPJOGNAACIOFSH-JGVFFNPUSA-N 0 0 192.230 1.439 10 0 ADAERN CCOC(=O)N1CCC(=O)C[C@@H]1C 114432447 572429029 /nfs/dbraw/zinc/42/90/29/572429029.db2.gz HUGFGDVQDKPSIA-ZETCQYMHSA-N 0 0 185.223 1.196 10 0 ADAERN CC[C@H]1C[C@@H](CC(=O)C[NH3+])CCO1 76630705 572429057 /nfs/dbraw/zinc/42/90/57/572429057.db2.gz FLYNMHBRUNJMTB-SCZZXKLOSA-N 0 0 185.267 1.110 10 0 ADAERN CC/C=C/C(=O)O[C@@H]1CCOC1 308019794 572429093 /nfs/dbraw/zinc/42/90/93/572429093.db2.gz TYFWKSSBPJCHAY-MPJRPATESA-N 0 0 170.208 1.285 10 0 ADAERN C[C@H](O)[C@]1(C)CCCCC1=O 208789482 572429099 /nfs/dbraw/zinc/42/90/99/572429099.db2.gz PQQOVAPFVVQDHA-CBAPKCEASA-N 0 0 156.225 1.517 10 0 ADAERN Cc1cnnc2c1NCc1cccn1-2 76631395 572429104 /nfs/dbraw/zinc/42/91/04/572429104.db2.gz IQCFZBRIDJITRW-UHFFFAOYSA-N 0 0 186.218 1.501 10 0 ADAERN CCCOc1nc(C)nc(NC)n1 83823855 572429111 /nfs/dbraw/zinc/42/91/11/572429111.db2.gz BZZGCZJZKGIDKP-UHFFFAOYSA-N 0 0 182.227 1.011 10 0 ADAERN C[C@@H](CCCO)NCC(F)F 87359909 572429153 /nfs/dbraw/zinc/42/91/53/572429153.db2.gz XQWRXSJVLZSUBP-LURJTMIESA-N 0 0 167.199 1.002 10 0 ADAERN C[NH+](C)CC[C@H]1[C@H](C(=O)[O-])C1(C)C 76630787 572429154 /nfs/dbraw/zinc/42/91/54/572429154.db2.gz ZZTMXSDLXIQHTD-JGVFFNPUSA-N 0 0 185.267 1.295 10 0 ADAERN C[C@H](CCCO)Nc1ncns1 87360610 572429239 /nfs/dbraw/zinc/42/92/39/572429239.db2.gz OCKLRDLKAPXUQR-ZCFIWIBFSA-N 0 0 187.268 1.111 10 0 ADAERN c1nc2cc(NC3COC3)ccc2o1 76634053 572431272 /nfs/dbraw/zinc/43/12/72/572431272.db2.gz UIKMFCZLXPJSSD-UHFFFAOYSA-N 0 0 190.202 1.639 10 0 ADAERN CCCCCOc1cc(C)nc(N)n1 83824891 572429251 /nfs/dbraw/zinc/42/92/51/572429251.db2.gz DSGQTHMBEFQWIX-UHFFFAOYSA-N 0 0 195.266 1.936 10 0 ADAERN CCOCCN(C)c1ccc(N)cn1 83825647 572429258 /nfs/dbraw/zinc/42/92/58/572429258.db2.gz PSOALQFHOSEHOE-UHFFFAOYSA-N 0 0 195.266 1.137 10 0 ADAERN C[N@@H+]1CCC(C)(C)C[C@H](C(=O)[O-])C1 76630771 572429259 /nfs/dbraw/zinc/42/92/59/572429259.db2.gz BTPAZNZNZQQNIL-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN CCCc1nnc([C@H](C)OC)o1 308019581 572429262 /nfs/dbraw/zinc/42/92/62/572429262.db2.gz SSYLKJYXWQWVGH-LURJTMIESA-N 0 0 170.212 1.730 10 0 ADAERN CC[C@@H]1C[C@@H](CC(=O)C[NH3+])CCO1 76630701 572429287 /nfs/dbraw/zinc/42/92/87/572429287.db2.gz FLYNMHBRUNJMTB-PSASIEDQSA-N 0 0 185.267 1.110 10 0 ADAERN C[C@H](CCCO)Nc1ccncn1 87360684 572429303 /nfs/dbraw/zinc/42/93/03/572429303.db2.gz ZWCYYNFJDSYPSM-MRVPVSSYSA-N 0 0 181.239 1.050 10 0 ADAERN CC1(C)C[C@H]2C[C@@H](O)[C@@H]1C2 44495152 572429356 /nfs/dbraw/zinc/42/93/56/572429356.db2.gz LRRVODUFJVBLJK-GJMOJQLCSA-N 0 0 140.226 1.803 10 0 ADAERN C[C@H](CCCO)NCC(F)(F)F 87359722 572429385 /nfs/dbraw/zinc/42/93/85/572429385.db2.gz GVPHXSVQLYEXGI-ZCFIWIBFSA-N 0 0 185.189 1.299 10 0 ADAERN Nc1cccc(COCC2CC2)n1 83825360 572429407 /nfs/dbraw/zinc/42/94/07/572429407.db2.gz UUJWRFHVBAKKMQ-UHFFFAOYSA-N 0 0 178.235 1.590 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@H](C)C1(C)CC1 87368231 572433377 /nfs/dbraw/zinc/43/33/77/572433377.db2.gz PFCYQBNSCHXNRO-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)[C@@](C)(NC1CC1)C1(C)CC1 87364472 572433605 /nfs/dbraw/zinc/43/36/05/572433605.db2.gz DCTZTLMDRFQHBA-LLVKDONJSA-N 0 0 197.278 1.470 10 0 ADAERN CCCCC[C@H](O)[C@@H](C)OCCO 238238028 572429458 /nfs/dbraw/zinc/42/94/58/572429458.db2.gz XYOSDZSBQBBUJT-ZJUUUORDSA-N 0 0 190.283 1.325 10 0 ADAERN COC[C@@H](NN)c1c(C)cccc1C 234725788 572429499 /nfs/dbraw/zinc/42/94/99/572429499.db2.gz GYKCABANFVHIHL-SNVBAGLBSA-N 0 0 194.278 1.454 10 0 ADAERN Cc1ccc(N[C@@H](C)CCCO)nc1 87360517 572429510 /nfs/dbraw/zinc/42/95/10/572429510.db2.gz PHZRNJDMCKYEJS-JTQLQIEISA-N 0 0 194.278 1.963 10 0 ADAERN CC[C@H]1C[C@H](CC(=O)C[NH3+])CCO1 76630699 572429627 /nfs/dbraw/zinc/42/96/27/572429627.db2.gz FLYNMHBRUNJMTB-WPRPVWTQSA-N 0 0 185.267 1.110 10 0 ADAERN C[C@@H]1CC[C@H](CCC(=O)[O-])C[N@@H+]1C 76630606 572429679 /nfs/dbraw/zinc/42/96/79/572429679.db2.gz AGLYMLHZJPGQCB-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)CC(C)=O 238798926 572429688 /nfs/dbraw/zinc/42/96/88/572429688.db2.gz ACYWMIPSLOKAFZ-POYBYMJQSA-N 0 0 172.224 1.411 10 0 ADAERN CC(=O)Cc1cccc2nnc(C)n12 107174271 572429705 /nfs/dbraw/zinc/42/97/05/572429705.db2.gz MCKNSGBNIAXFNQ-UHFFFAOYSA-N 0 0 189.218 1.169 10 0 ADAERN COC(=O)/C=C/c1ccc(C=O)n1C 687824117 572429719 /nfs/dbraw/zinc/42/97/19/572429719.db2.gz UCIHCQIUUXJFPK-AATRIKPKSA-N 0 0 193.202 1.024 10 0 ADAERN CCC(=O)c1c[nH]c(N)c1C(=O)CC 238239378 572429728 /nfs/dbraw/zinc/42/97/28/572429728.db2.gz FBKHJDWBHYVEGI-UHFFFAOYSA-N 0 0 194.234 1.782 10 0 ADAERN CCN(CC1CC1)[S@@](C)(=N)=O 404514263 572429741 /nfs/dbraw/zinc/42/97/41/572429741.db2.gz HVHAJMQMZAHAGE-LLVKDONJSA-N 0 0 176.285 1.310 10 0 ADAERN CC1(C)CC[C@@H](CCCC(=O)[O-])[NH2+]1 76630670 572429747 /nfs/dbraw/zinc/42/97/47/572429747.db2.gz BAOXBLLDHSTKLJ-MRVPVSSYSA-N 0 0 185.267 1.772 10 0 ADAERN C[C@@H](O)[C@]1(C)CCCCC1=O 208789519 572429811 /nfs/dbraw/zinc/42/98/11/572429811.db2.gz PQQOVAPFVVQDHA-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN CC(C)C[C@@]1(C)CC[C@@H](C(=O)[O-])[NH2+]1 76630819 572429823 /nfs/dbraw/zinc/42/98/23/572429823.db2.gz IFSCPXPJNLQRDE-WCBMZHEXSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@H]1CC[C@@H](CCC(=O)[O-])C[N@@H+]1C 76630617 572429828 /nfs/dbraw/zinc/42/98/28/572429828.db2.gz AGLYMLHZJPGQCB-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)C[C@]1(C)CC[C@@H](C(=O)[O-])[NH2+]1 76630813 572429861 /nfs/dbraw/zinc/42/98/61/572429861.db2.gz IFSCPXPJNLQRDE-WPRPVWTQSA-N 0 0 185.267 1.628 10 0 ADAERN c1ccc2c(c1)CCN[C@H]2c1ncc[nH]1 83619060 572429877 /nfs/dbraw/zinc/42/98/77/572429877.db2.gz FHJXRVIYBCYHAR-LLVKDONJSA-N 0 0 199.257 1.645 10 0 ADAERN CONCCc1ccc2c(c1)CCO2 83827319 572429958 /nfs/dbraw/zinc/42/99/58/572429958.db2.gz WJNVAAHQRVFAQQ-UHFFFAOYSA-N 0 0 193.246 1.315 10 0 ADAERN C1=COCCCC1 44491496 572430125 /nfs/dbraw/zinc/43/01/25/572430125.db2.gz SOHIYESEPVZKHS-UHFFFAOYSA-N 0 0 98.145 1.701 10 0 ADAERN Cc1cc2c(cc1N)NCCC(=O)N2 76635012 572430159 /nfs/dbraw/zinc/43/01/59/572430159.db2.gz SAAKJXCQSPXKHP-UHFFFAOYSA-N 0 0 191.234 1.331 10 0 ADAERN C[C@@H]([NH+]1CC(CC(=O)[O-])C1)C1(C)CC1 87368409 572430313 /nfs/dbraw/zinc/43/03/13/572430313.db2.gz HOUBDALTFFUGRJ-MRVPVSSYSA-N 0 0 197.278 1.582 10 0 ADAERN CC1([C@](C)([NH2+]CC2CC2)C(=O)[O-])CC1 87364541 572430335 /nfs/dbraw/zinc/43/03/35/572430335.db2.gz QYJYJEXUJYSCSO-LLVKDONJSA-N 0 0 197.278 1.629 10 0 ADAERN CCCCC[C@H](O)[C@H]1COC(=O)C1 238239472 572430336 /nfs/dbraw/zinc/43/03/36/572430336.db2.gz ZSXSIOIBRCZGPN-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN CCCC(=O)c1cn(CC)cn1 308020557 572430340 /nfs/dbraw/zinc/43/03/40/572430340.db2.gz UKAJPDFSDGQDEN-UHFFFAOYSA-N 0 0 166.224 1.886 10 0 ADAERN COc1cccnc1[C@@](C)(O)C1CC1 235040809 572430354 /nfs/dbraw/zinc/43/03/54/572430354.db2.gz NBWIPJVJGDAKKQ-NSHDSACASA-N 0 0 193.246 1.708 10 0 ADAERN CC(C)OC[C@@](C)(O)C1(C)CC1 87365500 572430358 /nfs/dbraw/zinc/43/03/58/572430358.db2.gz JVBJNQAHEWNUNF-SNVBAGLBSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cc(-c2cc(C=O)n(C)c2)on1 76634098 572430367 /nfs/dbraw/zinc/43/03/67/572430367.db2.gz UQAMOYAGULLIIU-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CCCNC(=O)NOc1ccccc1 238238869 572430392 /nfs/dbraw/zinc/43/03/92/572430392.db2.gz GHJGBPXDCMNIDE-UHFFFAOYSA-N 0 0 194.234 1.690 10 0 ADAERN Cc1nc(-c2cc(N)cn2C)[nH]c1C 76634509 572430399 /nfs/dbraw/zinc/43/03/99/572430399.db2.gz JYIJKFPDVMOXOX-UHFFFAOYSA-N 0 0 190.250 1.614 10 0 ADAERN CC1([C@@](C)(C[NH3+])CC(=O)[O-])CC1 87368940 572430409 /nfs/dbraw/zinc/43/04/09/572430409.db2.gz DEPFJNGDMHTBQV-SECBINFHSA-N 0 0 171.240 1.226 10 0 ADAERN Cc1noc(C)c1-c1cc(N)cn1C 76635035 572430442 /nfs/dbraw/zinc/43/04/42/572430442.db2.gz URSXJPRFTHEJRE-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN CCN[C@@](C)(C(=O)OC)C1(C)CC1 87364447 572430468 /nfs/dbraw/zinc/43/04/68/572430468.db2.gz LPJSARAVCKJXBW-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CCCOc1cc(N)nc(SC)n1 83824548 572430482 /nfs/dbraw/zinc/43/04/82/572430482.db2.gz QVZJPWWRVIQCAP-UHFFFAOYSA-N 0 0 199.279 1.570 10 0 ADAERN C[C@H](NC=O)c1ccc([C@@H](C)O)cc1 207122873 572430483 /nfs/dbraw/zinc/43/04/83/572430483.db2.gz CLBGMITWOGGCSM-DTWKUNHWSA-N 0 0 193.246 1.547 10 0 ADAERN CCCCC[C@H](O)[C@H]1CCOC1=O 238239444 572430498 /nfs/dbraw/zinc/43/04/98/572430498.db2.gz WVRDZCYKNJMVLD-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN COC(=O)[C@@](C)(NC(C)C)C1(C)CC1 87364440 572430504 /nfs/dbraw/zinc/43/05/04/572430504.db2.gz UZGPAZQFFMDZIE-LLVKDONJSA-N 0 0 199.294 1.716 10 0 ADAERN CCC(CC)CN1C[C@@H](O)CO1 308020447 572430539 /nfs/dbraw/zinc/43/05/39/572430539.db2.gz UGHJKXNLUDTENL-SECBINFHSA-N 0 0 173.256 1.031 10 0 ADAERN CCNS(=O)(=O)CCCC(C)C 308020560 572430559 /nfs/dbraw/zinc/43/05/59/572430559.db2.gz UXTCAMTUNOTFLG-UHFFFAOYSA-N 0 0 193.312 1.362 10 0 ADAERN CNC(=O)/C=C\c1ccccc1OC 207630666 572430574 /nfs/dbraw/zinc/43/05/74/572430574.db2.gz QCZSNCYNJPWJKJ-FPLPWBNLSA-N 0 0 191.230 1.454 10 0 ADAERN Cc1nc(-c2cc(N)cn2C)c(C)[nH]1 76634511 572430621 /nfs/dbraw/zinc/43/06/21/572430621.db2.gz BUYJLGPSXMSOOK-UHFFFAOYSA-N 0 0 190.250 1.614 10 0 ADAERN Cc1[nH]nc(-c2cc(N)cn2C)c1C 76634514 572430628 /nfs/dbraw/zinc/43/06/28/572430628.db2.gz QIAKLNDFDLFUSM-UHFFFAOYSA-N 0 0 190.250 1.614 10 0 ADAERN CC[C@H](CCO)CNCC(F)(F)F 87366674 572430662 /nfs/dbraw/zinc/43/06/62/572430662.db2.gz WYYQTKOVNDUIPS-SSDOTTSWSA-N 0 0 199.216 1.547 10 0 ADAERN Nc1ccc2c(c1)OCC1(CC1)CO2 76634983 572430666 /nfs/dbraw/zinc/43/06/66/572430666.db2.gz OGXXEUXAWUIMAM-UHFFFAOYSA-N 0 0 191.230 1.820 10 0 ADAERN CC(C)[NH2+][C@@](C)(C(=O)[O-])C1(C)CC1 87364427 572430668 /nfs/dbraw/zinc/43/06/68/572430668.db2.gz XJDBMDMJSVXGOR-JTQLQIEISA-N 0 0 185.267 1.628 10 0 ADAERN Cc1cnc(-c2ccc(C=O)n2C)o1 76634096 572430670 /nfs/dbraw/zinc/43/06/70/572430670.db2.gz SZJRTYXUUNIDFY-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CCCCOc1cc(N)nc(OC)c1 238238729 572430675 /nfs/dbraw/zinc/43/06/75/572430675.db2.gz UEILWYNFCSSCNK-UHFFFAOYSA-N 0 0 196.250 1.851 10 0 ADAERN Cc1onc(-c2cc(N)cn2C)c1C 76635036 572430688 /nfs/dbraw/zinc/43/06/88/572430688.db2.gz DHRSDCMSOKZYSL-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN Cc1nc(-c2c(N)ccn2C)oc1C 76635039 572430726 /nfs/dbraw/zinc/43/07/26/572430726.db2.gz NEGQOGDFOSBFRX-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN CCCCC[C@H](O)[C@H]1COC(=O)N1 238239483 572430730 /nfs/dbraw/zinc/43/07/30/572430730.db2.gz KZLGQDPRPDXDOE-SFYZADRCSA-N 0 0 187.239 1.036 10 0 ADAERN CC(C)=CC[C@@H]1O[C@@H]1CO 207629843 572430735 /nfs/dbraw/zinc/43/07/35/572430735.db2.gz QYTWJOUMMNTFAA-JGVFFNPUSA-N 0 0 142.198 1.102 10 0 ADAERN Cc1cc(-c2c(N)ccn2C)n(C)n1 76634518 572430761 /nfs/dbraw/zinc/43/07/61/572430761.db2.gz VHDFMCWVZKHTCG-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN O=C1COCC[C@H]1Cc1cccnc1 76634963 572430784 /nfs/dbraw/zinc/43/07/84/572430784.db2.gz HTOASFQRBJAWJQ-JTQLQIEISA-N 0 0 191.230 1.230 10 0 ADAERN Cc1conc1-c1ccc(C=O)n1C 76634069 572430790 /nfs/dbraw/zinc/43/07/90/572430790.db2.gz CHINQLIFJGKGRX-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN C/C=C\C1=C(C)[C@@H](C)NC(=S)N1N 308022286 572430807 /nfs/dbraw/zinc/43/08/07/572430807.db2.gz UBUDPJONQSQWMM-IQXGSHKSSA-N 0 0 197.307 1.289 10 0 ADAERN CC[NH+](CC)[C@@](C)(C(=O)[O-])C1(C)CC1 87366429 572430813 /nfs/dbraw/zinc/43/08/13/572430813.db2.gz NZUYXQUKFMMZJR-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CCC[NH2+][C@](C)(C(=O)[O-])C1(C)CC1 87364425 572430856 /nfs/dbraw/zinc/43/08/56/572430856.db2.gz QNVSXHWQMMXPCB-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@@H](C)C1(C)CC1 87368186 572430873 /nfs/dbraw/zinc/43/08/73/572430873.db2.gz DDSJWFMTXXSJQR-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN Cc1cc(C)cc(N2CC[C@@H](O)C2)c1 76635189 572430921 /nfs/dbraw/zinc/43/09/21/572430921.db2.gz FZQZFJJUBLFWFL-GFCCVEGCSA-N 0 0 191.274 1.874 10 0 ADAERN CCCCCOc1cc(N)nc(N)n1 83825282 572430949 /nfs/dbraw/zinc/43/09/49/572430949.db2.gz YPBKBIBJIDVKEZ-UHFFFAOYSA-N 0 0 196.254 1.210 10 0 ADAERN C[NH+](C)[C@@](C)(CC(=O)[O-])C1(C)CC1 87368061 572430956 /nfs/dbraw/zinc/43/09/56/572430956.db2.gz OESNOPJEGWVCIM-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN C[NH2+][C@](C)(CC(=O)[O-])C1(C)CC1 87368690 572433258 /nfs/dbraw/zinc/43/32/58/572433258.db2.gz PBUUMFJEKBXPHB-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN Cn1ccc(C=O)c1Cc1cnco1 76634117 572430994 /nfs/dbraw/zinc/43/09/94/572430994.db2.gz ZINVCLNTUQDFHY-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Cn1ccc(C=O)c1Cc1cnoc1 76634120 572431054 /nfs/dbraw/zinc/43/10/54/572431054.db2.gz WVXNBUWYNWDNTJ-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CC[C@H](CCO)CNCC(F)F 87367638 572431070 /nfs/dbraw/zinc/43/10/70/572431070.db2.gz GNKIFOXJYVEKFO-SSDOTTSWSA-N 0 0 181.226 1.250 10 0 ADAERN COC(=O)[C@](C)(NC1CC1)C1(C)CC1 87364474 572431079 /nfs/dbraw/zinc/43/10/79/572431079.db2.gz DCTZTLMDRFQHBA-NSHDSACASA-N 0 0 197.278 1.470 10 0 ADAERN CCCCCCN(C#N)C(N)=O 238238831 572431089 /nfs/dbraw/zinc/43/10/89/572431089.db2.gz BSZFEQMXQCCYFF-UHFFFAOYSA-N 0 0 169.228 1.428 10 0 ADAERN O=C1COC[C@H]1CCc1ccccn1 76634972 572431121 /nfs/dbraw/zinc/43/11/21/572431121.db2.gz IICKZANMAFLHLT-SECBINFHSA-N 0 0 191.230 1.230 10 0 ADAERN CCC[N@H+](CC(=O)[O-])[C@@H](C)C1(C)CC1 87368306 572431124 /nfs/dbraw/zinc/43/11/24/572431124.db2.gz VVYQEDVJUNWTCT-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCN[C@](C)(C(=O)OCC)C1(C)CC1 87364454 572431149 /nfs/dbraw/zinc/43/11/49/572431149.db2.gz PJCKLNOPZSGUPO-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN CCCCCCN(N)C(=S)NC 238239497 572431178 /nfs/dbraw/zinc/43/11/78/572431178.db2.gz GAOBEGUVNSBPRP-UHFFFAOYSA-N 0 0 189.328 1.247 10 0 ADAERN CC[NH2+][C@@](C)(CC(=O)[O-])C1(C)CC1 87368708 572431203 /nfs/dbraw/zinc/43/12/03/572431203.db2.gz GIDSMWWJCRHTNS-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN COCOC(=O)C[C@@H]1C=CCC1 308021789 572431212 /nfs/dbraw/zinc/43/12/12/572431212.db2.gz VTRPOAUBWVBDHX-MRVPVSSYSA-N 0 0 170.208 1.490 10 0 ADAERN O=c1[nH]c2cccc(NC3CC3)c2o1 76634058 572431232 /nfs/dbraw/zinc/43/12/32/572431232.db2.gz QHFLELVJZWDERZ-UHFFFAOYSA-N 0 0 190.202 1.695 10 0 ADAERN CCC/C=C1/C(=O)O[C@H](C)[C@@H]1O 308025164 572431249 /nfs/dbraw/zinc/43/12/49/572431249.db2.gz WQLMRKLWOQAVAU-AFEINUPNSA-N 0 0 170.208 1.019 10 0 ADAERN COCCNc1cc(C2(C)CC2)[nH]n1 87367530 572431277 /nfs/dbraw/zinc/43/12/77/572431277.db2.gz ATNVGBYMVXUGCS-UHFFFAOYSA-N 0 0 195.266 1.520 10 0 ADAERN Fc1cccc2c1NCc1nncn1-2 76634036 572431280 /nfs/dbraw/zinc/43/12/80/572431280.db2.gz KXTJEGGRPRILPZ-UHFFFAOYSA-N 0 0 190.181 1.332 10 0 ADAERN Cc1ncc(-c2ccc(C=O)n2C)o1 76634080 572431336 /nfs/dbraw/zinc/43/13/36/572431336.db2.gz OJOWVMRHORIEHJ-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN C[C@H]1Nc2ccc(C=O)cc2NC1=O 76634137 572431361 /nfs/dbraw/zinc/43/13/61/572431361.db2.gz GMMGMRUFNMLCOX-ZCFIWIBFSA-N 0 0 190.202 1.252 10 0 ADAERN Cc1cnn(C)c1-c1cc(N)cn1C 76634516 572431379 /nfs/dbraw/zinc/43/13/79/572431379.db2.gz MDMAWWKVWYCAOJ-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN Cc1ncoc1-c1ccc(C=O)n1C 76634065 572431387 /nfs/dbraw/zinc/43/13/87/572431387.db2.gz XIHJCSSJIQNEHG-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN C[C@H]1C(=O)Nc2cc(N)ccc2N1C 76635004 572431440 /nfs/dbraw/zinc/43/14/40/572431440.db2.gz MMIODRJBYYDTOL-LURJTMIESA-N 0 0 191.234 1.046 10 0 ADAERN Cn1ccc2cc3c(c(N)c21)OCO3 76634159 572431451 /nfs/dbraw/zinc/43/14/51/572431451.db2.gz CVRGEVZNYLFHTL-UHFFFAOYSA-N 0 0 190.202 1.489 10 0 ADAERN Cc1cc(C)n(-c2ccc(N)n2C)n1 76634527 572431468 /nfs/dbraw/zinc/43/14/68/572431468.db2.gz QBQWBYQHJHFNJM-UHFFFAOYSA-N 0 0 190.250 1.410 10 0 ADAERN CC[C@@H](CCO)CNCC(F)(F)F 87366672 572431471 /nfs/dbraw/zinc/43/14/71/572431471.db2.gz WYYQTKOVNDUIPS-ZETCQYMHSA-N 0 0 199.216 1.547 10 0 ADAERN CC[C@@]1(C)C/C(=C/C(N)=O)CCO1 308022239 572431487 /nfs/dbraw/zinc/43/14/87/572431487.db2.gz PUIATIZGVYROAB-PCGIRMHASA-N 0 0 183.251 1.377 10 0 ADAERN CCCOC(=O)[C@@H](N)CC1CC1 308022007 572431489 /nfs/dbraw/zinc/43/14/89/572431489.db2.gz UZJRJTSRLNDLNX-QMMMGPOBSA-N 0 0 171.240 1.067 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@@H](C)C1(C)CC1 87368229 572431537 /nfs/dbraw/zinc/43/15/37/572431537.db2.gz PFCYQBNSCHXNRO-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCCOC[C@@](C)(O)C1(C)CC1 87365635 572431523 /nfs/dbraw/zinc/43/15/23/572431523.db2.gz HUYVFMBOTIPLBA-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cc(-c2c(N)ccn2C)nn1C 76634522 572431554 /nfs/dbraw/zinc/43/15/54/572431554.db2.gz UBTKSERVADBVDL-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN CC(C)=CC[C@H]1O[C@H]1CO 207629788 572431563 /nfs/dbraw/zinc/43/15/63/572431563.db2.gz QYTWJOUMMNTFAA-SFYZADRCSA-N 0 0 142.198 1.102 10 0 ADAERN CC[NH2+][C@](C)(C(=O)[O-])C1(C)CC1 87364421 572431582 /nfs/dbraw/zinc/43/15/82/572431582.db2.gz YWRZILPYUFWAGE-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN CCC(=O)c1c[nH]cc1C(=O)OC 238239448 572431591 /nfs/dbraw/zinc/43/15/91/572431591.db2.gz HIMBBCJRKIDDRO-UHFFFAOYSA-N 0 0 181.191 1.394 10 0 ADAERN Cc1cc(-c2ccc(C=O)n2C)no1 76634077 572431595 /nfs/dbraw/zinc/43/15/95/572431595.db2.gz ACTIRSBEGKQUHC-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN C/C=C/C(=O)N(CC(C)C)OC 308021059 572431598 /nfs/dbraw/zinc/43/15/98/572431598.db2.gz UOAZAQYQNPZFEH-AATRIKPKSA-N 0 0 171.240 1.609 10 0 ADAERN COCCc1nnc(CSC)o1 308022824 572431603 /nfs/dbraw/zinc/43/16/03/572431603.db2.gz WRFVUERWAUIWQQ-UHFFFAOYSA-N 0 0 188.252 1.122 10 0 ADAERN Cc1nocc1-c1ccc(C=O)n1C 76634082 572433696 /nfs/dbraw/zinc/43/36/96/572433696.db2.gz VBQYJUOHRUHCNT-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN C[C@@H]([N@H+](C)C(C)(C)C(=O)[O-])C1(C)CC1 87368266 572431633 /nfs/dbraw/zinc/43/16/33/572431633.db2.gz UVUUSJVOYAFJHN-MRVPVSSYSA-N 0 0 199.294 1.970 10 0 ADAERN O=C1COCC[C@H]1Cc1ccncc1 76634968 572431656 /nfs/dbraw/zinc/43/16/56/572431656.db2.gz GCQQKMCVVRWJNK-JTQLQIEISA-N 0 0 191.230 1.230 10 0 ADAERN Cc1ccc2[nH]cc(CCON)c2c1 76634432 572431674 /nfs/dbraw/zinc/43/16/74/572431674.db2.gz HQNOKKXRNOTARH-UHFFFAOYSA-N 0 0 190.246 1.909 10 0 ADAERN CN1CCC(=O)Nc2cc(N)ccc21 76635006 572431676 /nfs/dbraw/zinc/43/16/76/572431676.db2.gz WZRBIWBUAMEQHU-UHFFFAOYSA-N 0 0 191.234 1.047 10 0 ADAERN CCC/C=C1/C(=O)O[C@H](C)[C@H]1O 308025165 572431680 /nfs/dbraw/zinc/43/16/80/572431680.db2.gz WQLMRKLWOQAVAU-BNJXCVJPSA-N 0 0 170.208 1.019 10 0 ADAERN O=C1COC[C@H]1CCc1ccccc1 76634346 572431691 /nfs/dbraw/zinc/43/16/91/572431691.db2.gz QGQJODXZEGYFMJ-LLVKDONJSA-N 0 0 190.242 1.835 10 0 ADAERN Cn1c(C=O)cc2c1O[C@H]1CCC[C@@H]21 76634896 572431718 /nfs/dbraw/zinc/43/17/18/572431718.db2.gz JXISVNXYODNPAS-WPRPVWTQSA-N 0 0 191.230 1.866 10 0 ADAERN C[C@@H]([N@H+](CC(=O)[O-])C1CC1)C1(C)CC1 87368220 572431722 /nfs/dbraw/zinc/43/17/22/572431722.db2.gz QDEFQXCASSNFGD-MRVPVSSYSA-N 0 0 197.278 1.724 10 0 ADAERN O=C1COCC[C@@H]1Cc1ccccn1 76634954 572431727 /nfs/dbraw/zinc/43/17/27/572431727.db2.gz WQCQQCIBPFMMKI-SECBINFHSA-N 0 0 191.230 1.230 10 0 ADAERN CCC[NH2+][C@@](C)(C(=O)[O-])C1(C)CC1 87364422 572431729 /nfs/dbraw/zinc/43/17/29/572431729.db2.gz QNVSXHWQMMXPCB-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN CCCOC(=O)[C@H](N)CC1CC1 308022006 572431731 /nfs/dbraw/zinc/43/17/31/572431731.db2.gz UZJRJTSRLNDLNX-MRVPVSSYSA-N 0 0 171.240 1.067 10 0 ADAERN Cc1coc(-c2ccn(C)c2C=O)n1 76634089 572431732 /nfs/dbraw/zinc/43/17/32/572431732.db2.gz JYLSBWOYGQSZJH-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Cc1c(-c2cc(N)cn2C)cnn1C 76634503 572431751 /nfs/dbraw/zinc/43/17/51/572431751.db2.gz KMXZNKRTGBDBBT-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN CCCNc1nc(C)nc(OC)n1 83823854 572431775 /nfs/dbraw/zinc/43/17/75/572431775.db2.gz VHOIETCVASVIPL-UHFFFAOYSA-N 0 0 182.227 1.011 10 0 ADAERN CC(C)C[NH2+][C@](C)(C(=O)[O-])C1(C)CC1 87364527 572431782 /nfs/dbraw/zinc/43/17/82/572431782.db2.gz VJANJMOOZKYAMS-LLVKDONJSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cccc2c(CCON)c[nH]c12 76634430 572431807 /nfs/dbraw/zinc/43/18/07/572431807.db2.gz TZDRZGIQHLMZQH-UHFFFAOYSA-N 0 0 190.246 1.909 10 0 ADAERN CCOC(=O)N1CCC(=O)C[C@H]1C 114432448 572431808 /nfs/dbraw/zinc/43/18/08/572431808.db2.gz HUGFGDVQDKPSIA-SSDOTTSWSA-N 0 0 185.223 1.196 10 0 ADAERN CCOC(=O)[C@](C)(O)C1(C)CC1 87366778 572431812 /nfs/dbraw/zinc/43/18/12/572431812.db2.gz XESVFTHVTHWAGC-VIFPVBQESA-N 0 0 172.224 1.101 10 0 ADAERN COc1ccc(Br)n1C 76634025 572431828 /nfs/dbraw/zinc/43/18/28/572431828.db2.gz WVCKIIOPKHPTIW-UHFFFAOYSA-N 0 0 190.040 1.796 10 0 ADAERN CCCCC[C@]1(C)NC(=O)NC1=O 83825730 572431832 /nfs/dbraw/zinc/43/18/32/572431832.db2.gz ZCZARJLJMRQNRB-VIFPVBQESA-N 0 0 184.239 1.165 10 0 ADAERN CC[NH+](CC)[C@](C)(C(=O)[O-])C1(C)CC1 87366431 572431862 /nfs/dbraw/zinc/43/18/62/572431862.db2.gz NZUYXQUKFMMZJR-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1coc(-c2cc(C=O)n(C)c2)n1 76634101 572431879 /nfs/dbraw/zinc/43/18/79/572431879.db2.gz QDBWRGJNYZJDDF-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN COC(=O)[C@H](C)c1ccc(CO)cc1 238799020 572431885 /nfs/dbraw/zinc/43/18/85/572431885.db2.gz WJTMPWRLKDHAIF-MRVPVSSYSA-N 0 0 194.230 1.455 10 0 ADAERN C[C@H]([NH3+])[C@](C)(CC(=O)[O-])C1(C)CC1 87368960 572431930 /nfs/dbraw/zinc/43/19/30/572431930.db2.gz BKCJOQJHITVJKL-XVKPBYJWSA-N 0 0 185.267 1.615 10 0 ADAERN C/C=C/C(=O)N(C)C[C@@H]1CCCCO1 88354056 572431939 /nfs/dbraw/zinc/43/19/39/572431939.db2.gz DWCXFPVCQVKLDK-YVGDHZEHSA-N 0 0 197.278 1.590 10 0 ADAERN Cc1cc(-c2cc(C=O)n(C)c2)no1 76634106 572431948 /nfs/dbraw/zinc/43/19/48/572431948.db2.gz PLAHVIMCMLSWQA-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN C[C@@H]([NH3+])c1cc(-c2ccn(C)c2)n[nH]1 76634531 572431958 /nfs/dbraw/zinc/43/19/58/572431958.db2.gz CTYPNAHJXLVBJK-SSDOTTSWSA-N 0 0 190.250 1.435 10 0 ADAERN Cc1n[nH]c(C)c1-c1c(N)ccn1C 76634520 572432015 /nfs/dbraw/zinc/43/20/15/572432015.db2.gz LNBBQFIEBYFVEF-UHFFFAOYSA-N 0 0 190.250 1.614 10 0 ADAERN O=C1COC[C@@H]1CCc1ccncc1 76634978 572432021 /nfs/dbraw/zinc/43/20/21/572432021.db2.gz ZDQBNKSZDZDAPX-JTQLQIEISA-N 0 0 191.230 1.230 10 0 ADAERN Cn1cc(N)c2c3c(ccc21)OCO3 76634158 572432039 /nfs/dbraw/zinc/43/20/39/572432039.db2.gz LCRSUIUTXGHSTC-UHFFFAOYSA-N 0 0 190.202 1.489 10 0 ADAERN Cn1c(C=O)cc2c1O[C@H]1CCC[C@H]21 76634893 572432044 /nfs/dbraw/zinc/43/20/44/572432044.db2.gz JXISVNXYODNPAS-SCZZXKLOSA-N 0 0 191.230 1.866 10 0 ADAERN O=C1COCC[C@@H]1Cc1cccnc1 76634965 572432054 /nfs/dbraw/zinc/43/20/54/572432054.db2.gz HTOASFQRBJAWJQ-SNVBAGLBSA-N 0 0 191.230 1.230 10 0 ADAERN CC(C)c1n[nH]c2cc(C=O)n(C)c12 76635043 572432068 /nfs/dbraw/zinc/43/20/68/572432068.db2.gz RRTLLHBFXWYZQB-UHFFFAOYSA-N 0 0 191.234 1.837 10 0 ADAERN C/C=C/C(=O)N(C)C[C@H]1CCCO1 88353897 572432073 /nfs/dbraw/zinc/43/20/73/572432073.db2.gz UIERDOOWIUUYNV-HYYFJVDXSA-N 0 0 183.251 1.200 10 0 ADAERN COC(=O)[C@H](C)c1ccc(C=O)s1 238799019 572432091 /nfs/dbraw/zinc/43/20/91/572432091.db2.gz LATLFNSGNYFVMV-ZCFIWIBFSA-N 0 0 198.243 1.837 10 0 ADAERN Cc1nc(-c2cc(N)cn2C)oc1C 76635033 572432103 /nfs/dbraw/zinc/43/21/03/572432103.db2.gz NHAJSIFEJWBXDA-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN C[C@@H]1C(=O)Nc2cc(N)ccc2N1C 76635003 572432160 /nfs/dbraw/zinc/43/21/60/572432160.db2.gz MMIODRJBYYDTOL-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN C[C@@H]1Nc2ccc(C=O)cc2NC1=O 76634140 572432167 /nfs/dbraw/zinc/43/21/67/572432167.db2.gz GMMGMRUFNMLCOX-LURJTMIESA-N 0 0 190.202 1.252 10 0 ADAERN Cn1ccc(C=O)c1Cc1ncco1 76634119 572432199 /nfs/dbraw/zinc/43/21/99/572432199.db2.gz ZVYWASOUFLBHHN-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Cc1nc(-c2cc(N)cn2C)cn1C 76634507 572432207 /nfs/dbraw/zinc/43/22/07/572432207.db2.gz SPELXIVSCHPJCQ-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN CC1([C@](C)([NH2+]C2CC2)C(=O)[O-])CC1 87364432 572432267 /nfs/dbraw/zinc/43/22/67/572432267.db2.gz GNBYLWLRGJZAOD-SNVBAGLBSA-N 0 0 183.251 1.382 10 0 ADAERN C[C@@H](C[N@H+](C)[C@@H](C)C1(C)CC1)C(=O)[O-] 87368392 572432312 /nfs/dbraw/zinc/43/23/12/572432312.db2.gz VFYRECSVUHZTGT-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN CCCN[C@@](C)(C(=O)OC)C1(C)CC1 87364463 572432755 /nfs/dbraw/zinc/43/27/55/572432755.db2.gz JGGIHVCVTVZPQX-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)C(=CC(C)C)C(C)=O 238799050 572432757 /nfs/dbraw/zinc/43/27/57/572432757.db2.gz MOUZNEUCCVKNEU-MRVPVSSYSA-N 0 0 170.208 1.331 10 0 ADAERN O=C1COCC[C@H]1Cc1ccccn1 76634951 572432317 /nfs/dbraw/zinc/43/23/17/572432317.db2.gz WQCQQCIBPFMMKI-VIFPVBQESA-N 0 0 191.230 1.230 10 0 ADAERN C/C=C\C1=C(C)[C@H](C)NC(=S)N1N 308022288 572432330 /nfs/dbraw/zinc/43/23/30/572432330.db2.gz UBUDPJONQSQWMM-MJSGSUOKSA-N 0 0 197.307 1.289 10 0 ADAERN CSC[C@H](NN)[C@@H](C)CC(C)C 308020847 572432336 /nfs/dbraw/zinc/43/23/36/572432336.db2.gz UMGKUEZAPSPCEJ-IUCAKERBSA-N 0 0 190.356 1.864 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@H](C)C1(C)CC1 87368296 572432355 /nfs/dbraw/zinc/43/23/55/572432355.db2.gz JFRBADQAGLFFIF-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)CCOc1cc(N)nc(N)n1 83824785 572432364 /nfs/dbraw/zinc/43/23/64/572432364.db2.gz OSVVAYSRCQOBOX-UHFFFAOYSA-N 0 0 196.254 1.066 10 0 ADAERN CCCOC[C@](C)(O)C1(C)CC1 87365633 572432366 /nfs/dbraw/zinc/43/23/66/572432366.db2.gz HUYVFMBOTIPLBA-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CCO[P@H](=O)c1ccccc1O 68592299 572432402 /nfs/dbraw/zinc/43/24/02/572432402.db2.gz KWDHBTMHZAXLAV-UHFFFAOYSA-N 0 0 186.147 1.529 10 0 ADAERN Brc1occ2c1OCO2 76634819 572432429 /nfs/dbraw/zinc/43/24/29/572432429.db2.gz QASMLZNTLQHKAK-UHFFFAOYSA-N 0 0 190.980 1.771 10 0 ADAERN C[C@H]([NH3+])[C@@](C)(CC(=O)[O-])C1(C)CC1 87368955 572432449 /nfs/dbraw/zinc/43/24/49/572432449.db2.gz BKCJOQJHITVJKL-OIBJUYFYSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1cc2c(cc1N)N[C@H](C)C(=O)N2 76635008 572432499 /nfs/dbraw/zinc/43/24/99/572432499.db2.gz IABUZEKPKSDNCP-ZCFIWIBFSA-N 0 0 191.234 1.330 10 0 ADAERN Cc1coc(-c2ccc(C=O)n2C)n1 76634084 572432506 /nfs/dbraw/zinc/43/25/06/572432506.db2.gz KMLKIKVGJXMUBD-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CC[C@]1(C)C/C(=C/C(N)=O)CCO1 308022240 572432508 /nfs/dbraw/zinc/43/25/08/572432508.db2.gz PUIATIZGVYROAB-QEHWCHDUSA-N 0 0 183.251 1.377 10 0 ADAERN CC1(C)C[C@H]2C[C@@H]1[C@H](O)C2 44495150 572432509 /nfs/dbraw/zinc/43/25/09/572432509.db2.gz LRRVODUFJVBLJK-XLPZGREQSA-N 0 0 140.226 1.803 10 0 ADAERN CCOC(=O)[C@](C)(NC)C1(C)CC1 87364460 572432534 /nfs/dbraw/zinc/43/25/34/572432534.db2.gz PZJLVTBNCHKBRF-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CN1CCN(C)c2c(C=O)cccc21 76634434 572432538 /nfs/dbraw/zinc/43/25/38/572432538.db2.gz JIXXRSUFJPETQP-UHFFFAOYSA-N 0 0 190.246 1.385 10 0 ADAERN c1cc2c(nn1)N1CCC[C@@H](CN2)C1 76634544 572432545 /nfs/dbraw/zinc/43/25/45/572432545.db2.gz SGWGKTJUFDLZCW-QMMMGPOBSA-N 0 0 190.250 1.119 10 0 ADAERN Fc1ccc2c(c1)NCc1nncn1-2 76634041 572432568 /nfs/dbraw/zinc/43/25/68/572432568.db2.gz VGZCDHWWVKNQNG-UHFFFAOYSA-N 0 0 190.181 1.332 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](C)[C@@H](C)C1(C)CC1 87368377 572432575 /nfs/dbraw/zinc/43/25/75/572432575.db2.gz GVQGKBNPMLZQEH-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1cnc(-c2ccn(C)c2C=O)o1 76634091 572432597 /nfs/dbraw/zinc/43/25/97/572432597.db2.gz LHZJUEICCMYTPH-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Cn1c(C=O)cc2c1O[C@@H]1CCC[C@@H]21 76634899 572432619 /nfs/dbraw/zinc/43/26/19/572432619.db2.gz JXISVNXYODNPAS-WCBMZHEXSA-N 0 0 191.230 1.866 10 0 ADAERN Cn1c(C=O)cc2c1O[C@@H]1CCC[C@H]21 76634895 572432630 /nfs/dbraw/zinc/43/26/30/572432630.db2.gz JXISVNXYODNPAS-PSASIEDQSA-N 0 0 191.230 1.866 10 0 ADAERN Cc1ncoc1-c1cc(C=O)n(C)c1 76634103 572432645 /nfs/dbraw/zinc/43/26/45/572432645.db2.gz DXQNNNKSXQAISF-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN C[C@H]([N@H+](C)C(C)(C)C(=O)[O-])C1(C)CC1 87368263 572432651 /nfs/dbraw/zinc/43/26/51/572432651.db2.gz UVUUSJVOYAFJHN-QMMMGPOBSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1oncc1-c1ccc(C=O)n1C 76634072 572432701 /nfs/dbraw/zinc/43/27/01/572432701.db2.gz BYTGQWSTDMFVHU-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Cn1cc(N)cc1CCc1ccco1 76634480 572432704 /nfs/dbraw/zinc/43/27/04/572432704.db2.gz MONLBFPKMKHCAS-UHFFFAOYSA-N 0 0 190.246 1.986 10 0 ADAERN c1cc2c(nn1)N1CCCC[C@@H]1CN2 76634548 572432710 /nfs/dbraw/zinc/43/27/10/572432710.db2.gz GMOKHRWGQJGATE-MRVPVSSYSA-N 0 0 190.250 1.261 10 0 ADAERN c1cc2c(nn1)N1CCCC[C@H]1CN2 76634550 572432716 /nfs/dbraw/zinc/43/27/16/572432716.db2.gz GMOKHRWGQJGATE-QMMMGPOBSA-N 0 0 190.250 1.261 10 0 ADAERN Cc1ccc(C)c(N2CC[C@@H](O)C2)c1 76635193 572432731 /nfs/dbraw/zinc/43/27/31/572432731.db2.gz MEZSXOPCNUVHRY-LLVKDONJSA-N 0 0 191.274 1.874 10 0 ADAERN Cc1cc(-c2ccc(C=O)n2C)on1 76634086 572432736 /nfs/dbraw/zinc/43/27/36/572432736.db2.gz RGEWAWJLHYOZFY-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN COC(=O)[C@](C)(NC(C)C)C1(C)CC1 87364437 572432737 /nfs/dbraw/zinc/43/27/37/572432737.db2.gz UZGPAZQFFMDZIE-NSHDSACASA-N 0 0 199.294 1.716 10 0 ADAERN CSC[C@@H](C)Nc1nc(C)no1 235042088 572432771 /nfs/dbraw/zinc/43/27/71/572432771.db2.gz IPZSHDKLWOBACK-RXMQYKEDSA-N 0 0 187.268 1.541 10 0 ADAERN C[C@H]([NH+]1CC(CC(=O)[O-])C1)C1(C)CC1 87368406 572432779 /nfs/dbraw/zinc/43/27/79/572432779.db2.gz HOUBDALTFFUGRJ-QMMMGPOBSA-N 0 0 197.278 1.582 10 0 ADAERN C[NH+](C)[C@](C)(CC(=O)[O-])C1(C)CC1 87368058 572432783 /nfs/dbraw/zinc/43/27/83/572432783.db2.gz OESNOPJEGWVCIM-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN Cn1cc2c3c(c(F)ccc31)CNC2 76634197 572432786 /nfs/dbraw/zinc/43/27/86/572432786.db2.gz BXDIFYOLSACBAA-UHFFFAOYSA-N 0 0 190.221 1.921 10 0 ADAERN Cc1ccc(C)c(N2CC[C@H](O)C2)c1 76635191 572433383 /nfs/dbraw/zinc/43/33/83/572433383.db2.gz MEZSXOPCNUVHRY-NSHDSACASA-N 0 0 191.274 1.874 10 0 ADAERN C[C@@H]([NH3+])[C@](C)(CC(=O)[O-])C1(C)CC1 87368962 572432833 /nfs/dbraw/zinc/43/28/33/572432833.db2.gz BKCJOQJHITVJKL-XCBNKYQSSA-N 0 0 185.267 1.615 10 0 ADAERN COCOC(=O)C[C@H]1C=CCC1 308021791 572432862 /nfs/dbraw/zinc/43/28/62/572432862.db2.gz VTRPOAUBWVBDHX-QMMMGPOBSA-N 0 0 170.208 1.490 10 0 ADAERN O=C1COCC[C@@H]1Cc1ccncc1 76634970 572432866 /nfs/dbraw/zinc/43/28/66/572432866.db2.gz GCQQKMCVVRWJNK-SNVBAGLBSA-N 0 0 191.230 1.230 10 0 ADAERN CCC[N@H+](CC(=O)[O-])[C@H](C)C1(C)CC1 87368308 572432869 /nfs/dbraw/zinc/43/28/69/572432869.db2.gz VVYQEDVJUNWTCT-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1cc2c(cc1N)N[C@@H](C)C(=O)N2 76635010 572432893 /nfs/dbraw/zinc/43/28/93/572432893.db2.gz IABUZEKPKSDNCP-LURJTMIESA-N 0 0 191.234 1.330 10 0 ADAERN CC[N@H+](CC1CC1)C(C)(C)C(=O)[O-] 61174916 572432899 /nfs/dbraw/zinc/43/28/99/572432899.db2.gz MQZSBYAZOAZWFN-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN CSC[C@H](NN)[C@H](C)CC(C)C 308020836 572432927 /nfs/dbraw/zinc/43/29/27/572432927.db2.gz UMGKUEZAPSPCEJ-BDAKNGLRSA-N 0 0 190.356 1.864 10 0 ADAERN CN1Cc2cn(C)c3c2[C@H]1CC(=O)C3 76634448 572432944 /nfs/dbraw/zinc/43/29/44/572432944.db2.gz RSOWAPAEMZYGDE-SNVBAGLBSA-N 0 0 190.246 1.027 10 0 ADAERN CC[NH2+][C@@](C)(C(=O)[O-])C1(C)CC1 87364418 572432961 /nfs/dbraw/zinc/43/29/61/572432961.db2.gz YWRZILPYUFWAGE-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN CCCOC(=O)c1csc(=O)[nH]1 308021860 572433720 /nfs/dbraw/zinc/43/37/20/572433720.db2.gz VXMQIDYDUKCBDP-UHFFFAOYSA-N 0 0 187.220 1.003 10 0 ADAERN Cn1ccc2c(N)cc3c(c21)OCO3 76634161 572432998 /nfs/dbraw/zinc/43/29/98/572432998.db2.gz BEYVUZAKNDGHLV-UHFFFAOYSA-N 0 0 190.202 1.489 10 0 ADAERN CC1([C@@](C)([NH2+]C2CC2)C(=O)[O-])CC1 87364434 572433031 /nfs/dbraw/zinc/43/30/31/572433031.db2.gz GNBYLWLRGJZAOD-JTQLQIEISA-N 0 0 183.251 1.382 10 0 ADAERN Cc1cc(C)n(-c2cc(N)cn2C)n1 76634529 572433722 /nfs/dbraw/zinc/43/37/22/572433722.db2.gz QZVQYSGRPIZLLY-UHFFFAOYSA-N 0 0 190.250 1.410 10 0 ADAERN CCO[C@H](C)[C@H](O)CC1CCC1 83840837 572433723 /nfs/dbraw/zinc/43/37/23/572433723.db2.gz VQESXVAANMGELD-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN Cn1ccc2cc(CCON)ccc21 76634454 572433095 /nfs/dbraw/zinc/43/30/95/572433095.db2.gz SYWGUCJRIUTRIG-UHFFFAOYSA-N 0 0 190.246 1.611 10 0 ADAERN C[C@H]([N@H+](CC(=O)[O-])C1CC1)C1(C)CC1 87368217 572433120 /nfs/dbraw/zinc/43/31/20/572433120.db2.gz QDEFQXCASSNFGD-QMMMGPOBSA-N 0 0 197.278 1.724 10 0 ADAERN COCCC[C@@H](O)CC1CCC1 83840855 572433157 /nfs/dbraw/zinc/43/31/57/572433157.db2.gz AOLRXVNNGACLRI-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CC[N@H+](CC(=O)[O-])[C@@H](C)C1(C)CC1 87368293 572433170 /nfs/dbraw/zinc/43/31/70/572433170.db2.gz JFRBADQAGLFFIF-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN C/C=C/C(=O)N(C)C[C@@H]1CCCO1 88353896 572433176 /nfs/dbraw/zinc/43/31/76/572433176.db2.gz UIERDOOWIUUYNV-SGRBOOSSSA-N 0 0 183.251 1.200 10 0 ADAERN O=C1COC[C@H]1CCc1ccncc1 76634975 572433224 /nfs/dbraw/zinc/43/32/24/572433224.db2.gz ZDQBNKSZDZDAPX-SNVBAGLBSA-N 0 0 191.230 1.230 10 0 ADAERN Cn1cc(C=O)c2c(C3CC3)noc21 76634115 572433234 /nfs/dbraw/zinc/43/32/34/572433234.db2.gz VOBXGTJTZBNUMI-UHFFFAOYSA-N 0 0 190.202 1.856 10 0 ADAERN C[C@H]([N@@H+](C)C[C@@H](C)C(=O)[O-])C1(C)CC1 87368397 572433238 /nfs/dbraw/zinc/43/32/38/572433238.db2.gz VFYRECSVUHZTGT-BDAKNGLRSA-N 0 0 199.294 1.828 10 0 ADAERN C[NH2+][C@@](C)(CC(=O)[O-])C1(C)CC1 87368694 572433248 /nfs/dbraw/zinc/43/32/48/572433248.db2.gz PBUUMFJEKBXPHB-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN CC[N@H+](CC1CCC1)[C@@H](C)CC(=O)[O-] 83839816 572433300 /nfs/dbraw/zinc/43/33/00/572433300.db2.gz HCNVEYUSPDMPQP-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1C[C@@H]2OC(=O)C[C@@H]2CC[C@@H]1O 207630360 572433308 /nfs/dbraw/zinc/43/33/08/572433308.db2.gz OUEKHMGAHNLYBX-XGEHTFHBSA-N 0 0 184.235 1.099 10 0 ADAERN CCCCC[C@H](O)[C@H](C)OCCO 238238903 572433322 /nfs/dbraw/zinc/43/33/22/572433322.db2.gz XYOSDZSBQBBUJT-UWVGGRQHSA-N 0 0 190.283 1.325 10 0 ADAERN CC(C)[N@H+](CC(=O)[O-])[C@H](C)C1(C)CC1 87368189 572433326 /nfs/dbraw/zinc/43/33/26/572433326.db2.gz DDSJWFMTXXSJQR-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN O=C1COC[C@@H]1CCc1ccccn1 76634973 572433369 /nfs/dbraw/zinc/43/33/69/572433369.db2.gz IICKZANMAFLHLT-VIFPVBQESA-N 0 0 191.230 1.230 10 0 ADAERN Fc1ccc2c(c1)-n1cnnc1CN2 76634038 572433403 /nfs/dbraw/zinc/43/34/03/572433403.db2.gz VZWDMMWYFHBOES-UHFFFAOYSA-N 0 0 190.181 1.332 10 0 ADAERN C[C@@H]([NH3+])[C@@](C)(CC(=O)[O-])C1(C)CC1 87368957 572433427 /nfs/dbraw/zinc/43/34/27/572433427.db2.gz BKCJOQJHITVJKL-GMSGAONNSA-N 0 0 185.267 1.615 10 0 ADAERN CC(C)C[NH2+][C@@](C)(C(=O)[O-])C1(C)CC1 87364525 572433459 /nfs/dbraw/zinc/43/34/59/572433459.db2.gz VJANJMOOZKYAMS-NSHDSACASA-N 0 0 199.294 1.875 10 0 ADAERN CC(=O)[C@H]1c2ccccc2CCN1C 197341127 572434996 /nfs/dbraw/zinc/43/49/96/572434996.db2.gz HVUGCBVRMWVICW-LBPRGKRZSA-N 0 0 189.258 1.805 10 0 ADAERN COC(=O)[C@H](CC(C)=O)C(C)C 238799114 572433495 /nfs/dbraw/zinc/43/34/95/572433495.db2.gz LJPIHPCQIRCMHX-MRVPVSSYSA-N 0 0 172.224 1.411 10 0 ADAERN CCOC(=O)[C@@](C)(O)C1(C)CC1 87366780 572433524 /nfs/dbraw/zinc/43/35/24/572433524.db2.gz XESVFTHVTHWAGC-SECBINFHSA-N 0 0 172.224 1.101 10 0 ADAERN O=C1COC[C@@H]1CCc1ccccc1 76634348 572433561 /nfs/dbraw/zinc/43/35/61/572433561.db2.gz QGQJODXZEGYFMJ-NSHDSACASA-N 0 0 190.242 1.835 10 0 ADAERN CCCN[C@](C)(C(=O)OC)C1(C)CC1 87364466 572433589 /nfs/dbraw/zinc/43/35/89/572433589.db2.gz JGGIHVCVTVZPQX-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN CSC[C@@H](NN)[C@H](C)CC(C)C 308020857 572433597 /nfs/dbraw/zinc/43/35/97/572433597.db2.gz UMGKUEZAPSPCEJ-RKDXNWHRSA-N 0 0 190.356 1.864 10 0 ADAERN Cc1cc(C)cc(N2CC[C@H](O)C2)c1 76635187 572433615 /nfs/dbraw/zinc/43/36/15/572433615.db2.gz FZQZFJJUBLFWFL-LBPRGKRZSA-N 0 0 191.274 1.874 10 0 ADAERN CCOC(=O)[C@@](C)(NC)C1(C)CC1 87364461 572433624 /nfs/dbraw/zinc/43/36/24/572433624.db2.gz PZJLVTBNCHKBRF-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN CCC[C@@]1(OC)CC[C@H](OC)O1 238238722 572433644 /nfs/dbraw/zinc/43/36/44/572433644.db2.gz OJRZCBBJCDLHDZ-BDAKNGLRSA-N 0 0 174.240 1.912 10 0 ADAERN C/C=C\C(=O)N(CC(C)C)OC 308021068 572433648 /nfs/dbraw/zinc/43/36/48/572433648.db2.gz UOAZAQYQNPZFEH-WAYWQWQTSA-N 0 0 171.240 1.609 10 0 ADAERN C/C=C/C(=O)N(C)C[C@H]1CCCCO1 88354059 572433651 /nfs/dbraw/zinc/43/36/51/572433651.db2.gz DWCXFPVCQVKLDK-QLCVYAKKSA-N 0 0 197.278 1.590 10 0 ADAERN CC[C@@H](CCO)CNCC(F)F 87367637 572433656 /nfs/dbraw/zinc/43/36/56/572433656.db2.gz GNKIFOXJYVEKFO-ZETCQYMHSA-N 0 0 181.226 1.250 10 0 ADAERN Cc1nn(C)cc1-c1cc(N)cn1C 76634505 572433668 /nfs/dbraw/zinc/43/36/68/572433668.db2.gz NLUKUZYNBXDPDI-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN Oc1ccc2c(c1)N1CCC[C@@H]1CN2 76634401 572433673 /nfs/dbraw/zinc/43/36/73/572433673.db2.gz BCDRNRFRJPQGHB-MRVPVSSYSA-N 0 0 190.246 1.787 10 0 ADAERN O=c1[nH]c2ccc(NC3CC3)cc2o1 76634055 572433687 /nfs/dbraw/zinc/43/36/87/572433687.db2.gz BBPKQZLKMPBTOU-UHFFFAOYSA-N 0 0 190.202 1.695 10 0 ADAERN Cc1cccc(C)c1N1CC[C@H](O)C1 76635195 572433692 /nfs/dbraw/zinc/43/36/92/572433692.db2.gz FWIGBIVEVTYCCO-NSHDSACASA-N 0 0 191.274 1.874 10 0 ADAERN CN1Cc2cn(C)c3c2[C@@H]1CC(=O)C3 76634445 572433743 /nfs/dbraw/zinc/43/37/43/572433743.db2.gz RSOWAPAEMZYGDE-JTQLQIEISA-N 0 0 190.246 1.027 10 0 ADAERN CCCC(=O)N[C@H]1C[C@@H](OC)C1 308020986 572433752 /nfs/dbraw/zinc/43/37/52/572433752.db2.gz VDRCHFSSJAIELB-OCAPTIKFSA-N 0 0 171.240 1.080 10 0 ADAERN CC(C)[NH2+][C@](C)(C(=O)[O-])C1(C)CC1 87364430 572433770 /nfs/dbraw/zinc/43/37/70/572433770.db2.gz XJDBMDMJSVXGOR-SNVBAGLBSA-N 0 0 185.267 1.628 10 0 ADAERN CCN[C@@](C)(C(=O)OCC)C1(C)CC1 87364452 572433773 /nfs/dbraw/zinc/43/37/73/572433773.db2.gz PJCKLNOPZSGUPO-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN O=C1CNCc2oc3c(c21)CCCC3 76634944 572433777 /nfs/dbraw/zinc/43/37/77/572433777.db2.gz AXZLUQVWZUMQBE-UHFFFAOYSA-N 0 0 191.230 1.444 10 0 ADAERN Cn1c(C=O)ccc1Cc1cocn1 76634074 572433790 /nfs/dbraw/zinc/43/37/90/572433790.db2.gz RRSPDDOTMFTLTE-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CC[NH2+][C@](C)(CC(=O)[O-])C1(C)CC1 87368712 572433794 /nfs/dbraw/zinc/43/37/94/572433794.db2.gz GIDSMWWJCRHTNS-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1ncoc1-c1ccn(C)c1C=O 76634093 572433801 /nfs/dbraw/zinc/43/38/01/572433801.db2.gz JOZBBMTYPDWYQC-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CCN[C@](C)(C(=O)OC)C1(C)CC1 87364450 572433850 /nfs/dbraw/zinc/43/38/50/572433850.db2.gz LPJSARAVCKJXBW-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN CCO[C@@H](C)[C@H](O)CC1CCC1 83840836 572433899 /nfs/dbraw/zinc/43/38/99/572433899.db2.gz VQESXVAANMGELD-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CC1([C@](C)(C[NH3+])CC(=O)[O-])CC1 87368937 572433991 /nfs/dbraw/zinc/43/39/91/572433991.db2.gz DEPFJNGDMHTBQV-VIFPVBQESA-N 0 0 171.240 1.226 10 0 ADAERN COC[C@H](C)C(=O)OCCCF 308026564 572434018 /nfs/dbraw/zinc/43/40/18/572434018.db2.gz ZQSVPDCWSGXIKL-ZETCQYMHSA-N 0 0 178.203 1.172 10 0 ADAERN O=C([O-])CC1C[NH+](CC2CCC2)C1 83839882 572434019 /nfs/dbraw/zinc/43/40/19/572434019.db2.gz HQSRNOQTWTYPLI-UHFFFAOYSA-N 0 0 183.251 1.193 10 0 ADAERN CC1([C@@](C)([NH2+]CC2CC2)C(=O)[O-])CC1 87364542 572434031 /nfs/dbraw/zinc/43/40/31/572434031.db2.gz QYJYJEXUJYSCSO-NSHDSACASA-N 0 0 197.278 1.629 10 0 ADAERN CC(C)C[C@H]([NH2+]CC1CCC1)C(=O)[O-] 83839781 572434072 /nfs/dbraw/zinc/43/40/72/572434072.db2.gz HEKFERXTMIKCIC-JTQLQIEISA-N 0 0 199.294 1.875 10 0 ADAERN Cc1ccc(C[C@H]2C[NH2+]CC2=O)cc1 76633550 572434129 /nfs/dbraw/zinc/43/41/29/572434129.db2.gz NSUTYBLKXZNJIV-NSHDSACASA-N 0 0 189.258 1.326 10 0 ADAERN O=C1CC[NH2+]CC[C@@H]1Cc1ccco1 76635771 572434170 /nfs/dbraw/zinc/43/41/70/572434170.db2.gz QAINNHPRZBCHLJ-SECBINFHSA-N 0 0 193.246 1.391 10 0 ADAERN COCCC[C@H](O)CC1CCC1 83840854 572434213 /nfs/dbraw/zinc/43/42/13/572434213.db2.gz AOLRXVNNGACLRI-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CCCOC[C@H](O)CC1CCC1 83840700 572434256 /nfs/dbraw/zinc/43/42/56/572434256.db2.gz TUZUCISMRBGXSB-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN O=C([O-])CC[N@H+](CC1CCC1)C1CC1 83839748 572434360 /nfs/dbraw/zinc/43/43/60/572434360.db2.gz PLZJSNZBGZUXHU-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CCOC(=O)/C=C\COC1CCC1 308026458 572434362 /nfs/dbraw/zinc/43/43/62/572434362.db2.gz WYENACGKALOCJU-DAXSKMNVSA-N 0 0 184.235 1.675 10 0 ADAERN CC[C@@H](CC(=O)CC(C)C)NC(C)=O 238799977 572434365 /nfs/dbraw/zinc/43/43/65/572434365.db2.gz DLXKKTWGZITMOF-JTQLQIEISA-N 0 0 199.294 1.906 10 0 ADAERN CCN1C(=O)C[C@@H](C)N(CC)C1=O 61213450 572434417 /nfs/dbraw/zinc/43/44/17/572434417.db2.gz PGDAMLBWHZSWCB-SSDOTTSWSA-N 0 0 184.239 1.069 10 0 ADAERN Cc1ccnc(Cc2ccncc2)c1N 235916935 572434547 /nfs/dbraw/zinc/43/45/47/572434547.db2.gz WDYRBNKAAIUZON-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN COCCC(=O)CC1CCC1 83840120 572434586 /nfs/dbraw/zinc/43/45/86/572434586.db2.gz ZHNSNWIOHHJVRY-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN C/C=C\C[N@@H+]1CCC[C@@H]1CC(=O)[O-] 88390204 572434600 /nfs/dbraw/zinc/43/46/00/572434600.db2.gz DKMBNDMLVDBPGS-PKRMOACSSA-N 0 0 183.251 1.502 10 0 ADAERN Cc1c(C[NH3+])n(C)c2cc(N)ccc12 76633671 572434654 /nfs/dbraw/zinc/43/46/54/572434654.db2.gz WIKYHXMYGBCDFP-UHFFFAOYSA-N 0 0 189.262 1.528 10 0 ADAERN CO[C@@H]1CC/C(=C/CO)[C@H](C)O1 308026026 572434660 /nfs/dbraw/zinc/43/46/60/572434660.db2.gz XAYIHPRDPYORPR-FUMWUMAXSA-N 0 0 172.224 1.077 10 0 ADAERN COC(=O)[C@H](N)CC=C1CCCCC1 238800078 572434702 /nfs/dbraw/zinc/43/47/02/572434702.db2.gz SPYBOYTXIUIOJQ-SNVBAGLBSA-N 0 0 197.278 1.767 10 0 ADAERN CN(C)c1cc2c(ccn2C)cc1N 76633668 572434706 /nfs/dbraw/zinc/43/47/06/572434706.db2.gz OJQOGHUNXOFAOX-UHFFFAOYSA-N 0 0 189.262 1.827 10 0 ADAERN CC=C=C(CCO)CCCO 238240504 572434795 /nfs/dbraw/zinc/43/47/95/572434795.db2.gz CLVYWWFKVJPANU-UHFFFAOYSA-N 0 0 156.225 1.243 10 0 ADAERN COc1cc(F)ccc1-c1c[nH]nn1 687828029 572434849 /nfs/dbraw/zinc/43/48/49/572434849.db2.gz VVXQDNUPWTXCDH-UHFFFAOYSA-N 0 0 193.181 1.619 10 0 ADAERN CCCCCNS(=O)(=O)CCF 308026940 572434860 /nfs/dbraw/zinc/43/48/60/572434860.db2.gz HNVNPWOILLYSMM-UHFFFAOYSA-N 0 0 197.275 1.066 10 0 ADAERN CCN1C(=O)N(C(C)C)C(=O)C[C@H]1C 61213482 572434912 /nfs/dbraw/zinc/43/49/12/572434912.db2.gz XQWZTXCPUGZPPM-MRVPVSSYSA-N 0 0 198.266 1.458 10 0 ADAERN CCCCC[C@H](O)[C@H](F)C(=O)OC 238239060 572434917 /nfs/dbraw/zinc/43/49/17/572434917.db2.gz MPJOGNAACIOFSH-YUMQZZPRSA-N 0 0 192.230 1.439 10 0 ADAERN CCCCOc1cccc(=O)[nH]1 238240477 572434925 /nfs/dbraw/zinc/43/49/25/572434925.db2.gz IORSXHSRVLNXDI-UHFFFAOYSA-N 0 0 167.208 1.966 10 0 ADAERN COCC[C@@H](C)OC(=O)CSC 308026529 572434989 /nfs/dbraw/zinc/43/49/89/572434989.db2.gz ZPMZGBSSMQLVRB-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CCOC(=O)NC[C@H](CC)CCO 87372158 572435022 /nfs/dbraw/zinc/43/50/22/572435022.db2.gz BINDEVCXAMOKJE-MRVPVSSYSA-N 0 0 189.255 1.141 10 0 ADAERN CCCCC(=CC(=O)OCC)NC 308025531 572435208 /nfs/dbraw/zinc/43/52/08/572435208.db2.gz XBTFRDJUAHIWSK-HJWRWDBZSA-N 0 0 185.267 1.843 10 0 ADAERN CO[C@@H](C)CC1([C@@H](C)O)CC1 234730739 572435233 /nfs/dbraw/zinc/43/52/33/572435233.db2.gz LEAKEWBVLVKTCK-JGVFFNPUSA-N 0 0 158.241 1.572 10 0 ADAERN CCO[C@@H](C)[C@@H](O)CC1CCC1 83840838 572435257 /nfs/dbraw/zinc/43/52/57/572435257.db2.gz VQESXVAANMGELD-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CC[N@@H+](CC1CCC1)C[C@@H](C)C(=O)[O-] 83839820 572435262 /nfs/dbraw/zinc/43/52/62/572435262.db2.gz LMLNYHDJBUFRAK-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1cccc(C[C@@H]2C[NH2+]CC2=O)c1 76633552 572435279 /nfs/dbraw/zinc/43/52/79/572435279.db2.gz CKELQIPYTFRIFZ-LLVKDONJSA-N 0 0 189.258 1.326 10 0 ADAERN CC[N@H+](CC1CCC1)[C@H](C)CC(=O)[O-] 83839818 572435318 /nfs/dbraw/zinc/43/53/18/572435318.db2.gz HCNVEYUSPDMPQP-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCN1C(=O)N(C(C)C)C(=O)C[C@@H]1C 61213483 572435354 /nfs/dbraw/zinc/43/53/54/572435354.db2.gz XQWZTXCPUGZPPM-QMMMGPOBSA-N 0 0 198.266 1.458 10 0 ADAERN CCCC(=O)O[C@@H]1CCC[C@@H](O)C1 238239306 572435360 /nfs/dbraw/zinc/43/53/60/572435360.db2.gz LOEGWLPPGWTJIH-RKDXNWHRSA-N 0 0 186.251 1.633 10 0 ADAERN COC(=O)[C@H](F)[C@@H](N)c1ccccc1 238799948 572435384 /nfs/dbraw/zinc/43/53/84/572435384.db2.gz WZPATWJWGSJYLU-BDAKNGLRSA-N 0 0 197.209 1.198 10 0 ADAERN CN1CCCc2cc(CON)ccc21 76635509 572435419 /nfs/dbraw/zinc/43/54/19/572435419.db2.gz CEFUMHYPDSUSMG-UHFFFAOYSA-N 0 0 192.262 1.459 10 0 ADAERN C[C@@H](CCC/C=C\CCO)NC=O 308025541 572435431 /nfs/dbraw/zinc/43/54/31/572435431.db2.gz XCVPRWQMOQGONP-GQPNGRKGSA-N 0 0 185.267 1.230 10 0 ADAERN CO[C@@H](C)CC1([C@H](C)O)CC1 234730850 572435447 /nfs/dbraw/zinc/43/54/47/572435447.db2.gz LEAKEWBVLVKTCK-YUMQZZPRSA-N 0 0 158.241 1.572 10 0 ADAERN C/C=C\COc1nc(N)ncc1F 308025854 572435478 /nfs/dbraw/zinc/43/54/78/572435478.db2.gz HDNQWEAVWZHYAH-IHWYPQMZSA-N 0 0 183.186 1.153 10 0 ADAERN COC(=O)[C@H](F)[C@H](N)c1ccccc1 238799953 572435491 /nfs/dbraw/zinc/43/54/91/572435491.db2.gz WZPATWJWGSJYLU-RKDXNWHRSA-N 0 0 197.209 1.198 10 0 ADAERN CCCOC(=O)CCCOC 88359133 572442019 /nfs/dbraw/zinc/44/20/19/572442019.db2.gz HJPQJKNLXIFYQI-UHFFFAOYSA-N 0 0 160.213 1.366 10 0 ADAERN OCc1cc(F)c2ccccc2n1 687827999 572435518 /nfs/dbraw/zinc/43/55/18/572435518.db2.gz QXVCBBWWKJEQIY-UHFFFAOYSA-N 0 0 177.178 1.866 10 0 ADAERN CC(C)C[C@@H]([NH2+]CC1CCC1)C(=O)[O-] 83839783 572435528 /nfs/dbraw/zinc/43/55/28/572435528.db2.gz HEKFERXTMIKCIC-SNVBAGLBSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H](CCO)CNc1ccncn1 87371044 572435535 /nfs/dbraw/zinc/43/55/35/572435535.db2.gz PHDOQOMUUCMQNV-SECBINFHSA-N 0 0 195.266 1.297 10 0 ADAERN COCC[C@H](C)OC(=O)CSC 308026533 572435589 /nfs/dbraw/zinc/43/55/89/572435589.db2.gz ZPMZGBSSMQLVRB-ZETCQYMHSA-N 0 0 192.280 1.318 10 0 ADAERN COc1ccc(C)cc1-c1c[nH]nn1 687828020 572435605 /nfs/dbraw/zinc/43/56/05/572435605.db2.gz QAKZEUMDRAJFQF-UHFFFAOYSA-N 0 0 189.218 1.789 10 0 ADAERN O[C@@H]1CCC[C@H]1[C@@H]1CCSC1 405224951 572435608 /nfs/dbraw/zinc/43/56/08/572435608.db2.gz COCMQVALYCLTFS-HRDYMLBCSA-N 0 0 172.293 1.901 10 0 ADAERN CC[N@@H+](CC1CCC1)C[C@H](C)C(=O)[O-] 83839822 572435694 /nfs/dbraw/zinc/43/56/94/572435694.db2.gz LMLNYHDJBUFRAK-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CCN1C(=O)N(C2CC2)C(=O)C[C@H]1C 61213488 572435719 /nfs/dbraw/zinc/43/57/19/572435719.db2.gz QQGHRPREYRNQMI-SSDOTTSWSA-N 0 0 196.250 1.212 10 0 ADAERN CC[C@@H](CC(=O)C(C)C)NC(C)=O 238799971 572435723 /nfs/dbraw/zinc/43/57/23/572435723.db2.gz XMTOIDGZTUFPSF-VIFPVBQESA-N 0 0 185.267 1.516 10 0 ADAERN CO[C@@H]1CC/C(=C/CO)[C@@H](C)O1 308026023 572436757 /nfs/dbraw/zinc/43/67/57/572436757.db2.gz XAYIHPRDPYORPR-BVQMJAIZSA-N 0 0 172.224 1.077 10 0 ADAERN COc1ccc(C[C@@H](C)O)cc1N 197338191 572435848 /nfs/dbraw/zinc/43/58/48/572435848.db2.gz XMCJWBFUKUFYAM-SSDOTTSWSA-N 0 0 181.235 1.201 10 0 ADAERN CO[C@@H](C)CC1(C(C)=O)CC1 234730465 572435900 /nfs/dbraw/zinc/43/59/00/572435900.db2.gz QSEOCMPJNNMORT-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN O=C1C[NH2+]C[C@H]1CCc1ccccc1 76633561 572435979 /nfs/dbraw/zinc/43/59/79/572435979.db2.gz ZEWKDQMCIVMMAE-LLVKDONJSA-N 0 0 189.258 1.408 10 0 ADAERN O=C1C[NH2+]C[C@@H]1CCc1ccccc1 76633564 572436004 /nfs/dbraw/zinc/43/60/04/572436004.db2.gz ZEWKDQMCIVMMAE-NSHDSACASA-N 0 0 189.258 1.408 10 0 ADAERN Cc1ccnc(Cc2ccccn2)c1N 235916895 572436518 /nfs/dbraw/zinc/43/65/18/572436518.db2.gz BCJARWCGFZJCRB-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN CCOC(=O)NC[C@@H](CC)CCO 87372153 572436090 /nfs/dbraw/zinc/43/60/90/572436090.db2.gz BINDEVCXAMOKJE-QMMMGPOBSA-N 0 0 189.255 1.141 10 0 ADAERN COC[C@@H](C)C(=O)OCCCF 308026561 572436147 /nfs/dbraw/zinc/43/61/47/572436147.db2.gz ZQSVPDCWSGXIKL-SSDOTTSWSA-N 0 0 178.203 1.172 10 0 ADAERN O[C@H]1C[NH2+]Cc2oc3c(c21)CCCC3 76635728 572436156 /nfs/dbraw/zinc/43/61/56/572436156.db2.gz VQHBFDDBVWZRBY-QMMMGPOBSA-N 0 0 193.246 1.295 10 0 ADAERN COc1cccc(OC2C[NH2+]C2)c1C 76635754 572436289 /nfs/dbraw/zinc/43/62/89/572436289.db2.gz AMZHOTXTBIRXHY-UHFFFAOYSA-N 0 0 193.246 1.354 10 0 ADAERN CCCNSC(=O)SCC[NH3+] 238239229 572436297 /nfs/dbraw/zinc/43/62/97/572436297.db2.gz WOQLDCZAZCXCTM-UHFFFAOYSA-N 0 0 194.325 1.446 10 0 ADAERN CC[C@@H](CCO)CNc1ccncn1 87371041 572436305 /nfs/dbraw/zinc/43/63/05/572436305.db2.gz PHDOQOMUUCMQNV-VIFPVBQESA-N 0 0 195.266 1.297 10 0 ADAERN COC(=O)[C@H](N)C/C=C/C=C/C(C)C 238800001 572436334 /nfs/dbraw/zinc/43/63/34/572436334.db2.gz DQVAQBYCINUMBC-YZABNELQSA-N 0 0 197.278 1.645 10 0 ADAERN COc1cccc2[nH]c(CON)cc12 76635344 572436336 /nfs/dbraw/zinc/43/63/36/572436336.db2.gz KSNJAOGZCPLVJM-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN C/C=C/C(=O)N(C)CCC(F)(F)F 88393585 572436539 /nfs/dbraw/zinc/43/65/39/572436539.db2.gz DDKPQCHDOXOTGZ-ONEGZZNKSA-N 0 0 195.184 1.973 10 0 ADAERN CC1=CC[C@@](O)(CCCCO)C1 238240452 572436412 /nfs/dbraw/zinc/43/64/12/572436412.db2.gz SULALLJPGXLYSG-JTQLQIEISA-N 0 0 170.252 1.620 10 0 ADAERN Cn1c(C2CC2)nc2c1COCC2=O 76635351 572436419 /nfs/dbraw/zinc/43/64/19/572436419.db2.gz SXWLZSTVKYNISI-UHFFFAOYSA-N 0 0 192.218 1.010 10 0 ADAERN CCN1C(=O)N(C2CC2)C(=O)C[C@@H]1C 61213489 572436432 /nfs/dbraw/zinc/43/64/32/572436432.db2.gz QQGHRPREYRNQMI-ZETCQYMHSA-N 0 0 196.250 1.212 10 0 ADAERN CCO[C@H](C)[C@@H](O)CC1CCC1 83840839 572436433 /nfs/dbraw/zinc/43/64/33/572436433.db2.gz VQESXVAANMGELD-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN CCCC(=O)O[C@@H]1CCC[C@H](O)C1 238239332 572436438 /nfs/dbraw/zinc/43/64/38/572436438.db2.gz LOEGWLPPGWTJIH-DTWKUNHWSA-N 0 0 186.251 1.633 10 0 ADAERN CC[C@@H](CC(C)C)OC(N)=O 238800091 572436448 /nfs/dbraw/zinc/43/64/48/572436448.db2.gz ICSIRWXVXLTJEG-ZETCQYMHSA-N 0 0 159.229 1.906 10 0 ADAERN CCCCC[C@H]1C(=O)NC(=O)C1(C)C 238240368 572436457 /nfs/dbraw/zinc/43/64/57/572436457.db2.gz DVVZKWIYOMSVSC-QMMMGPOBSA-N 0 0 197.278 1.866 10 0 ADAERN CCC(=O)C[C@H](CC)OC(C)=O 238799984 572436537 /nfs/dbraw/zinc/43/65/37/572436537.db2.gz UJUXKLDERDHZGA-VIFPVBQESA-N 0 0 172.224 1.697 10 0 ADAERN CCC1(CC)[C@H](C(=O)[O-])[C@@]12CC[NH2+]C2 76637329 572436548 /nfs/dbraw/zinc/43/65/48/572436548.db2.gz AUSCSUNJPPVGSI-KWQFWETISA-N 0 0 197.278 1.487 10 0 ADAERN C1CCC(c2nc3c(o2)C[NH2+]CC3)C1 76635507 572436605 /nfs/dbraw/zinc/43/66/05/572436605.db2.gz WIIOVDDSBOIURN-UHFFFAOYSA-N 0 0 192.262 1.978 10 0 ADAERN CCCC[C@H]([C@H](C)O)C(C)(C)O 238239127 572436625 /nfs/dbraw/zinc/43/66/25/572436625.db2.gz WRBLDYHVYORSHJ-DTWKUNHWSA-N 0 0 174.284 1.945 10 0 ADAERN CCCOC[C@@H](O)CC1CCC1 83840702 572436636 /nfs/dbraw/zinc/43/66/36/572436636.db2.gz TUZUCISMRBGXSB-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN COCC[C@@H](O)CC1CCC1 83840651 572436654 /nfs/dbraw/zinc/43/66/54/572436654.db2.gz KMPPLYAXVAIYDF-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cccc(C[C@H]2C[NH2+]CC2=O)c1 76633554 572436689 /nfs/dbraw/zinc/43/66/89/572436689.db2.gz CKELQIPYTFRIFZ-NSHDSACASA-N 0 0 189.258 1.326 10 0 ADAERN O=C1CC[NH2+]CC[C@H]1Cc1ccco1 76635770 572436745 /nfs/dbraw/zinc/43/67/45/572436745.db2.gz QAINNHPRZBCHLJ-VIFPVBQESA-N 0 0 193.246 1.391 10 0 ADAERN Nc1cccn2c(-c3cc[nH]c3)nnc12 74236221 572436761 /nfs/dbraw/zinc/43/67/61/572436761.db2.gz OXAOFCWELDRBJB-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN COCC[C@H](O)CC1CCC1 83840647 572436783 /nfs/dbraw/zinc/43/67/83/572436783.db2.gz KMPPLYAXVAIYDF-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN Cn1cc(-c2onc(Cl)c2N)cn1 74236547 572436836 /nfs/dbraw/zinc/43/68/36/572436836.db2.gz ROHZWIBRWDFLCL-UHFFFAOYSA-N 0 0 198.613 1.311 10 0 ADAERN c1cc2c(c[nH+]1)NC[C@H]1CCCN2C1 76633624 572436864 /nfs/dbraw/zinc/43/68/64/572436864.db2.gz RKKKOSYOVWYMAB-SECBINFHSA-N 0 0 189.262 1.724 10 0 ADAERN CC[C@@H](CC(=O)CCOC)OC 238799988 572436865 /nfs/dbraw/zinc/43/68/65/572436865.db2.gz TZQMHRVEENQHSX-VIFPVBQESA-N 0 0 174.240 1.407 10 0 ADAERN O=C1COCc2oc3c(c21)CCCC3 76635343 572436895 /nfs/dbraw/zinc/43/68/95/572436895.db2.gz IQCGOOJRTXGPDZ-UHFFFAOYSA-N 0 0 192.214 1.871 10 0 ADAERN Nc1cn(-c2ccc3[nH]ccc3c2)nn1 74236261 572436907 /nfs/dbraw/zinc/43/69/07/572436907.db2.gz VQVDJXFWOWXFEZ-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN Cc1ccnc(Cc2cccnc2)c1N 235916916 572437009 /nfs/dbraw/zinc/43/70/09/572437009.db2.gz ZYIQMAZMMLGSIO-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN O[C@@H]1C[NH2+]Cc2oc3c(c21)CCCC3 76635729 572437123 /nfs/dbraw/zinc/43/71/23/572437123.db2.gz VQHBFDDBVWZRBY-MRVPVSSYSA-N 0 0 193.246 1.295 10 0 ADAERN C=C/C=C\CCNCC(=O)OCC 713711309 572437929 /nfs/dbraw/zinc/43/79/29/572437929.db2.gz QPBVJIMHQSUQBY-WAYWQWQTSA-N 0 0 183.251 1.271 10 0 ADAERN COC(=O)[C@H](N)CC(F)(F)C(C)C 238800058 572437236 /nfs/dbraw/zinc/43/72/36/572437236.db2.gz AGZOSJBNYJILAD-ZCFIWIBFSA-N 0 0 195.209 1.168 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H](O)C2CC2)cn1 235915978 572437238 /nfs/dbraw/zinc/43/72/38/572437238.db2.gz PKIGLXZUQJROOH-WDEREUQCSA-N 0 0 193.246 1.194 10 0 ADAERN Cc1nc([C@@H](C)N(O)C(N)=O)oc1C 74236402 572437257 /nfs/dbraw/zinc/43/72/57/572437257.db2.gz YXXDAIPLQXROPC-RXMQYKEDSA-N 0 0 199.210 1.122 10 0 ADAERN Nc1c(Cl)n[nH]c1Cc1ncco1 74236534 572438029 /nfs/dbraw/zinc/43/80/29/572438029.db2.gz KNAAVMZCNJDKMP-UHFFFAOYSA-N 0 0 198.613 1.224 10 0 ADAERN Cc1sc2c(c1N)N[C@@H](C)C(=O)N2 76637245 572438031 /nfs/dbraw/zinc/43/80/31/572438031.db2.gz JCNWYBTVDAGHEB-VKHMYHEASA-N 0 0 197.263 1.391 10 0 ADAERN Cc1nc([C@@H](C)N2CC(O)C2)cs1 74237135 572437426 /nfs/dbraw/zinc/43/74/26/572437426.db2.gz ANEOIFRETFMTKY-ZCFIWIBFSA-N 0 0 198.291 1.189 10 0 ADAERN COc1cccc2cc(CON)[nH]c12 76635349 572437439 /nfs/dbraw/zinc/43/74/39/572437439.db2.gz RLFYFGJKFVKWCX-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN C=CC(=O)N(C)CCC(F)(F)F 83879283 572437551 /nfs/dbraw/zinc/43/75/51/572437551.db2.gz BISOETQBGOBCCQ-UHFFFAOYSA-N 0 0 181.157 1.583 10 0 ADAERN Cc1ccc(C[C@@H]2C[NH2+]CC2=O)cc1 76633548 572437586 /nfs/dbraw/zinc/43/75/86/572437586.db2.gz NSUTYBLKXZNJIV-LLVKDONJSA-N 0 0 189.258 1.326 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@H]1CC[C@@H](C)C[NH2+]1 238804281 572437595 /nfs/dbraw/zinc/43/75/95/572437595.db2.gz GJNNVXXHPVJPCS-KXUCPTDWSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1ccccc1C[C@@H]1C[NH2+]CC1=O 76633555 572437603 /nfs/dbraw/zinc/43/76/03/572437603.db2.gz UNFLXMPGOKKHSV-LLVKDONJSA-N 0 0 189.258 1.326 10 0 ADAERN Cc1[nH]c(=O)cc(C(F)(F)F)c1N 76635272 572437611 /nfs/dbraw/zinc/43/76/11/572437611.db2.gz QBGJEIURAPXSSD-UHFFFAOYSA-N 0 0 192.140 1.284 10 0 ADAERN CCCCC[C@H](O)[C@H](O)[C@@H](C)OC 238239267 572437635 /nfs/dbraw/zinc/43/76/35/572437635.db2.gz UFCFKLGWSOAUJJ-KXUCPTDWSA-N 0 0 190.283 1.323 10 0 ADAERN Nc1c[nH]nc1-c1ccc2nc[nH]c2c1 74236234 572437642 /nfs/dbraw/zinc/43/76/42/572437642.db2.gz BGHZHYFRHQQHLU-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN CCN1C(=O)C[C@H](C)N(CC)C1=O 61213451 572437677 /nfs/dbraw/zinc/43/76/77/572437677.db2.gz PGDAMLBWHZSWCB-ZETCQYMHSA-N 0 0 184.239 1.069 10 0 ADAERN CCCCC[C@H](O)[C@H](C)[C@@H](C)O 238238913 572437688 /nfs/dbraw/zinc/43/76/88/572437688.db2.gz ZWXZZVAKOCRPGQ-BBBLOLIVSA-N 0 0 174.284 1.945 10 0 ADAERN CC[C@@H](O)COc1c(C)nn(C)c1C 83893126 572437747 /nfs/dbraw/zinc/43/77/47/572437747.db2.gz VTTJIPNPTVDDKO-SECBINFHSA-N 0 0 198.266 1.187 10 0 ADAERN C=C/C=C/[C@H](O)CC/C=C/C(=O)OC 238801932 572437820 /nfs/dbraw/zinc/43/78/20/572437820.db2.gz AMFZHUNTUADMSP-UUIGAHMSSA-N 0 0 196.246 1.599 10 0 ADAERN Cc1ncc(-c2ccc(C=O)cn2)cn1 74236287 572437870 /nfs/dbraw/zinc/43/78/70/572437870.db2.gz GLPQVZIAJVKJRT-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](C)CCC(=O)[O-])[NH2+]C1 238804322 572437863 /nfs/dbraw/zinc/43/78/63/572437863.db2.gz GJNNVXXHPVJPCS-OPRDCNLKSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)C[C@@H](N)C(=O)c1cscn1 74237290 572437865 /nfs/dbraw/zinc/43/78/65/572437865.db2.gz XNFXHRFOFUOQOS-SSDOTTSWSA-N 0 0 198.291 1.699 10 0 ADAERN COC(=O)[C@H](O)/C=C/c1cccs1 238802278 572437914 /nfs/dbraw/zinc/43/79/14/572437914.db2.gz SFUAEHUHDZNRDD-WTSVBCDHSA-N 0 0 198.243 1.295 10 0 ADAERN COC(=O)/C=C/C=C/[C@@H](O)C(C)C 238801915 572437941 /nfs/dbraw/zinc/43/79/41/572437941.db2.gz KWSJSNMUYXPLFJ-OIASJMIUSA-N 0 0 184.235 1.289 10 0 ADAERN COC(=O)/C=C/CCCC/C=C/CO 238801924 572437946 /nfs/dbraw/zinc/43/79/46/572437946.db2.gz FWGDBAYIFSICCW-CDJQDVQCSA-N 0 0 198.262 1.825 10 0 ADAERN CCCC(=O)O[C@H]1CCC[C@@H](O)C1 238239888 572438043 /nfs/dbraw/zinc/43/80/43/572438043.db2.gz LOEGWLPPGWTJIH-BDAKNGLRSA-N 0 0 186.251 1.633 10 0 ADAERN Nc1c[nH]c(-c2ccn3ncncc23)c1 74236274 572438001 /nfs/dbraw/zinc/43/80/01/572438001.db2.gz BDVBMZCOSXBPGR-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN COC(=O)/C=C/C(C)=C/C(C)=C/CO 238801898 572438013 /nfs/dbraw/zinc/43/80/13/572438013.db2.gz IRSQVPVQLYTGLL-AUQWAJEFSA-N 0 0 196.246 1.601 10 0 ADAERN Nc1cscc1CN1CCOCC1 74237324 572438197 /nfs/dbraw/zinc/43/81/97/572438197.db2.gz QPMPLFZNEGBAGE-UHFFFAOYSA-N 0 0 198.291 1.163 10 0 ADAERN [NH3+][C@@H]1CC[C@@H](C(=O)[O-])CC12CCCC2 76637341 572438198 /nfs/dbraw/zinc/43/81/98/572438198.db2.gz UYRLGPXQBNJDAQ-RKDXNWHRSA-N 0 0 197.278 1.759 10 0 ADAERN Cc1nc([C@@H]2CCCOC2)sc1N 74237388 572438224 /nfs/dbraw/zinc/43/82/24/572438224.db2.gz FFTFEVPPNVCJPE-SSDOTTSWSA-N 0 0 198.291 1.928 10 0 ADAERN Cc1oc2c(c1N)NC(C)(C)C(=O)N2 76636391 572438228 /nfs/dbraw/zinc/43/82/28/572438228.db2.gz AAEBXMFCCOEYEZ-UHFFFAOYSA-N 0 0 195.222 1.313 10 0 ADAERN CN1CC(=O)[C@@H](Cc2cccs2)C1 76636637 572438241 /nfs/dbraw/zinc/43/82/41/572438241.db2.gz JDXFYODCCDEUCF-QMMMGPOBSA-N 0 0 195.287 1.421 10 0 ADAERN COC(=O)/C=C/C[C@@H]1CCCC[C@@H]1O 238801964 572438262 /nfs/dbraw/zinc/43/82/62/572438262.db2.gz GPWXGRJNCWMHGC-DQRKKKBRSA-N 0 0 198.262 1.657 10 0 ADAERN COC(=O)[C@H](NC(C)(C)C)[C@@H](C)F 238801616 572438295 /nfs/dbraw/zinc/43/82/95/572438295.db2.gz QCRPNWKURXPDQB-RNFRBKRXSA-N 0 0 191.246 1.274 10 0 ADAERN COC(=O)[C@H](O)/C=C/c1ccc(C)o1 238802275 572438313 /nfs/dbraw/zinc/43/83/13/572438313.db2.gz QBDFNTBEEUAIDT-VUHVRTRXSA-N 0 0 196.202 1.135 10 0 ADAERN CN[C@@H](c1ccoc1)c1cn(C)cn1 234442106 572438324 /nfs/dbraw/zinc/43/83/24/572438324.db2.gz QIKPPICODOILEH-JTQLQIEISA-N 0 0 191.234 1.322 10 0 ADAERN C[N@@H+]1CC[C@@H]2C[C@H](C(=O)[O-])CC[C@@H]2C1 76637267 572438329 /nfs/dbraw/zinc/43/83/29/572438329.db2.gz SKFIAQOKLKINLI-OPRDCNLKSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@@](CO)(CCO)C1CCCCC1 238803784 572438338 /nfs/dbraw/zinc/43/83/38/572438338.db2.gz DMMLYFSYRJJZRY-NSHDSACASA-N 0 0 186.295 1.948 10 0 ADAERN CCCC(=O)[C@@H](C)CC(C)=O 238240546 572438399 /nfs/dbraw/zinc/43/83/99/572438399.db2.gz MKTLPETUJVXQCR-ZETCQYMHSA-N 0 0 156.225 1.971 10 0 ADAERN Cc1nc(C(=O)[O-])c(C)n1CC(C)C 76636855 572438423 /nfs/dbraw/zinc/43/84/23/572438423.db2.gz INNVCJPRVJWHNK-UHFFFAOYSA-N 0 0 196.250 1.854 10 0 ADAERN Cc1cnc(-c2[nH]nc(Cl)c2N)o1 74236535 572438444 /nfs/dbraw/zinc/43/84/44/572438444.db2.gz LTMFVISUBHIAGZ-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN COc1ccc(CCON)c(OC)c1 76637210 572438445 /nfs/dbraw/zinc/43/84/45/572438445.db2.gz BZAFMLQRFKMLKN-UHFFFAOYSA-N 0 0 197.234 1.137 10 0 ADAERN Nc1ccc2nnc(-c3ccc[nH]3)n2c1 74236223 572438475 /nfs/dbraw/zinc/43/84/75/572438475.db2.gz WKHNPCGKTBBBRC-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN Cc1oc2c(c1C=O)NC(=O)CCN2 76635989 572438512 /nfs/dbraw/zinc/43/85/12/572438512.db2.gz MKQAMGFAESIQQA-UHFFFAOYSA-N 0 0 194.190 1.155 10 0 ADAERN Nn1cnc(-c2ccc3nc[nH]c3c2)c1 74236251 572438600 /nfs/dbraw/zinc/43/86/00/572438600.db2.gz PXIQMSHBAHQEQO-UHFFFAOYSA-N 0 0 199.217 1.140 10 0 ADAERN COC(=O)[C@H](O)C(C)=C=CC(C)(C)C 238801951 572438727 /nfs/dbraw/zinc/43/87/27/572438727.db2.gz DIDFJKIZZAXBOA-IOJJLOCKSA-N 0 0 198.262 1.668 10 0 ADAERN COC(=O)/C=C/C[C@@H]1CCCC[C@H]1O 238801966 572438633 /nfs/dbraw/zinc/43/86/33/572438633.db2.gz GPWXGRJNCWMHGC-GNKRQNHBSA-N 0 0 198.262 1.657 10 0 ADAERN Cc1sc2c(c1N)NCCC(=O)N2 76637249 572438660 /nfs/dbraw/zinc/43/86/60/572438660.db2.gz ULQZXCWHZNLMNY-UHFFFAOYSA-N 0 0 197.263 1.393 10 0 ADAERN Cc1nc([C@H](C)N2CC(O)C2)cs1 74237137 572438664 /nfs/dbraw/zinc/43/86/64/572438664.db2.gz ANEOIFRETFMTKY-LURJTMIESA-N 0 0 198.291 1.189 10 0 ADAERN Nc1cn(-c2cccc3cc[nH]c23)nn1 74236259 572438701 /nfs/dbraw/zinc/43/87/01/572438701.db2.gz KRJVKQJPSHBSFF-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN [NH3+][C@@H]1CC[C@H](C(=O)[O-])CC12CCCC2 76637343 572438703 /nfs/dbraw/zinc/43/87/03/572438703.db2.gz UYRLGPXQBNJDAQ-DTWKUNHWSA-N 0 0 197.278 1.759 10 0 ADAERN Nc1cn(-c2n[nH]c3ccccc23)cn1 74236228 572438748 /nfs/dbraw/zinc/43/87/48/572438748.db2.gz YOGXSZVPUCVWBQ-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN COC(=O)/C=C/C=C/[C@H](O)C(C)C 238801916 572438759 /nfs/dbraw/zinc/43/87/59/572438759.db2.gz KWSJSNMUYXPLFJ-IRUBRMGNSA-N 0 0 184.235 1.289 10 0 ADAERN CN[C@@]1(C(F)F)CCCC[C@H]1OC 234443045 572438787 /nfs/dbraw/zinc/43/87/87/572438787.db2.gz HLTYAYLMERLJBL-APPZFPTMSA-N 0 0 193.237 1.799 10 0 ADAERN Cc1cnc(NC2CC[NH+](C)CC2)o1 76636532 572438817 /nfs/dbraw/zinc/43/88/17/572438817.db2.gz KAKSYBRQWXEVTH-UHFFFAOYSA-N 0 0 195.266 1.489 10 0 ADAERN COc1cc(C)c(CCON)c(C)c1 76636482 572438854 /nfs/dbraw/zinc/43/88/54/572438854.db2.gz UYHZVMISVQESLP-UHFFFAOYSA-N 0 0 195.262 1.745 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C[N@@H+]1C 76637292 572438881 /nfs/dbraw/zinc/43/88/81/572438881.db2.gz YSEXNVRXZFWPPY-DOLQZWNJSA-N 0 0 197.278 1.437 10 0 ADAERN CN1CC(=O)[C@H](Cc2cccs2)C1 76636639 572438893 /nfs/dbraw/zinc/43/88/93/572438893.db2.gz JDXFYODCCDEUCF-MRVPVSSYSA-N 0 0 195.287 1.421 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]CCC1CC1 83893490 572438897 /nfs/dbraw/zinc/43/88/97/572438897.db2.gz ZDWMWRYAOHSXLL-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H]1[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2CC[N@@H+]1C 76637301 572438914 /nfs/dbraw/zinc/43/89/14/572438914.db2.gz NMDUKCKNNKPEGL-RGOKHQFPSA-N 0 0 197.278 1.437 10 0 ADAERN CCC1(CC)[C@H](C(=O)[O-])[C@]12CC[NH2+]C2 76637332 572440573 /nfs/dbraw/zinc/44/05/73/572440573.db2.gz AUSCSUNJPPVGSI-GZMMTYOYSA-N 0 0 197.278 1.487 10 0 ADAERN Nc1c[nH]nc1-c1n[nH]c2ccccc12 74236218 572438929 /nfs/dbraw/zinc/43/89/29/572438929.db2.gz ZZZYHHVMMUJIIH-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Cc1cnoc1-c1[nH]nc(Cl)c1N 74236543 572438947 /nfs/dbraw/zinc/43/89/47/572438947.db2.gz XFVAUKSNEAFSMF-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN S=c1[nH]ncn1CC[C@@H]1CCCO1 44510388 572439015 /nfs/dbraw/zinc/43/90/15/572439015.db2.gz OHVZYARFUQPKAF-ZETCQYMHSA-N 0 0 199.279 1.510 10 0 ADAERN CNCc1nnc([C@H]2CC2(C)C)o1 234444816 572439024 /nfs/dbraw/zinc/43/90/24/572439024.db2.gz KFAQDZSMZODCEI-ZCFIWIBFSA-N 0 0 181.239 1.303 10 0 ADAERN Cc1ncc(-c2[nH]nc(Cl)c2N)o1 74236539 572439026 /nfs/dbraw/zinc/43/90/26/572439026.db2.gz TXEFUUJNDGVVKL-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN Nc1c[nH]c(-c2cnc3ncccn23)c1 74236270 572439033 /nfs/dbraw/zinc/43/90/33/572439033.db2.gz LLMXEUJNMAIUQO-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN CCCC[NH2+]CNC(=O)OC(C)C 238239827 572439034 /nfs/dbraw/zinc/43/90/34/572439034.db2.gz XJSPIZGJENMOMG-UHFFFAOYSA-N 0 0 188.271 1.468 10 0 ADAERN CCCCC[C@H](O)/C=C/[S@](C)=O 238239809 572439063 /nfs/dbraw/zinc/43/90/63/572439063.db2.gz OWPIYUPVZJHPDQ-IOTVWZNQSA-N 0 0 190.308 1.820 10 0 ADAERN c1cc2c(o1)N1CCSC[C@H]1CN2 76636905 572439066 /nfs/dbraw/zinc/43/90/66/572439066.db2.gz CLMTYDLLVQBVDS-SSDOTTSWSA-N 0 0 196.275 1.627 10 0 ADAERN CCC[C@H](N)C(=O)c1cnc(C)s1 74237347 572439086 /nfs/dbraw/zinc/43/90/86/572439086.db2.gz ZYUXTPHJTSSRHX-ZETCQYMHSA-N 0 0 198.291 1.762 10 0 ADAERN COC(=O)/C=C/CC/C=C/CO 238801948 572439103 /nfs/dbraw/zinc/43/91/03/572439103.db2.gz LBEXEZQAXSMRGJ-YDFGWWAZSA-N 0 0 170.208 1.044 10 0 ADAERN CC(=O)[C@H](C)N(C)CCC(F)(F)F 83889986 572439110 /nfs/dbraw/zinc/43/91/10/572439110.db2.gz FAHDGJDQLDBDGU-LURJTMIESA-N 0 0 197.200 1.848 10 0 ADAERN Nc1cn(-c2ccc3[nH]ncc3c2)cn1 74236230 572439124 /nfs/dbraw/zinc/43/91/24/572439124.db2.gz AKQRUFQWTXLXQX-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN O=C1COCc2oc3c(c21)COCC3 76635984 572439127 /nfs/dbraw/zinc/43/91/27/572439127.db2.gz TUPZRYKBHXPVSK-UHFFFAOYSA-N 0 0 194.186 1.065 10 0 ADAERN c1cc2c(s1)NC[C@H]1COCCN21 76636899 572439145 /nfs/dbraw/zinc/43/91/45/572439145.db2.gz METPNYMSNAZSFP-ZETCQYMHSA-N 0 0 196.275 1.379 10 0 ADAERN CCCNC(=O)Oc1ccccc1O 238239863 572439164 /nfs/dbraw/zinc/43/91/64/572439164.db2.gz SSRKQDIYACORHJ-UHFFFAOYSA-N 0 0 195.218 1.891 10 0 ADAERN CCC[C@H]1[C@H](CC)C=NN1C(N)=S 238240627 572439187 /nfs/dbraw/zinc/43/91/87/572439187.db2.gz CMMUMDPHTXWPBX-SFYZADRCSA-N 0 0 199.323 1.726 10 0 ADAERN Nc1csc(CN2CCOCC2)c1 74237325 572439244 /nfs/dbraw/zinc/43/92/44/572439244.db2.gz MOUZTEROBFJSFS-UHFFFAOYSA-N 0 0 198.291 1.163 10 0 ADAERN CCCC(=O)O[C@H]1CCC[C@H](O)C1 238239906 572439363 /nfs/dbraw/zinc/43/93/63/572439363.db2.gz LOEGWLPPGWTJIH-IUCAKERBSA-N 0 0 186.251 1.633 10 0 ADAERN Nc1cnn(-c2ccc3[nH]ccc3c2)n1 74236266 572439391 /nfs/dbraw/zinc/43/93/91/572439391.db2.gz CYHPTVIFCCRLMK-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN CC(C)[C@H]1Nc2coc(N)c2NC1=O 76636394 572439404 /nfs/dbraw/zinc/43/94/04/572439404.db2.gz VAGCXRIKRZNSQY-ZCFIWIBFSA-N 0 0 195.222 1.250 10 0 ADAERN CCC(=O)CN(C)CCC(F)(F)F 83889974 572440683 /nfs/dbraw/zinc/44/06/83/572440683.db2.gz UPDNCTVEBYXQJK-UHFFFAOYSA-N 0 0 197.200 1.850 10 0 ADAERN Cc1c[nH]nc1-c1onc(Cl)c1N 74236545 572439414 /nfs/dbraw/zinc/43/94/14/572439414.db2.gz IQRJMDAFGDQMRK-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN C[C@]1(C2CCCC2)CC[C@H](C(=O)[O-])[NH2+]1 76637309 572439416 /nfs/dbraw/zinc/43/94/16/572439416.db2.gz VMFJGPSKSSXHGO-MWLCHTKSSA-N 0 0 197.278 1.772 10 0 ADAERN Cc1sc2c(c1N)N[C@H](C)C(=O)N2 76637247 572439421 /nfs/dbraw/zinc/43/94/21/572439421.db2.gz JCNWYBTVDAGHEB-GSVOUGTGSA-N 0 0 197.263 1.391 10 0 ADAERN COC(=O)/C=C(/C)CCCCCO 238801697 572439435 /nfs/dbraw/zinc/43/94/35/572439435.db2.gz PWYFGWJFPMSWTR-HJWRWDBZSA-N 0 0 186.251 1.658 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@@H](C(=O)[O-])CC[C@@H]21 76637265 572439447 /nfs/dbraw/zinc/43/94/47/572439447.db2.gz IQXQLRUHWNWPSO-UTLUCORTSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)(C)c1csc(C(=O)CN)n1 74237127 572439483 /nfs/dbraw/zinc/43/94/83/572439483.db2.gz SNPIKOVFENVOMP-UHFFFAOYSA-N 0 0 198.291 1.582 10 0 ADAERN Nc1ncn2nc(-c3ccc[nH]3)ccc12 74236268 572439516 /nfs/dbraw/zinc/43/95/16/572439516.db2.gz XUYKECDRCRBUPZ-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN O=C([O-])CC[C@@H]1CC2CC[NH+](CC2)C1 76637272 572439532 /nfs/dbraw/zinc/43/95/32/572439532.db2.gz HFMKLACXQQRUOW-SNVBAGLBSA-N 0 0 197.278 1.583 10 0 ADAERN C[NH2+][C@H](CO)c1cccc(OC)c1C 238801825 572439533 /nfs/dbraw/zinc/43/95/33/572439533.db2.gz HDHGTTUDGJRBDD-SNVBAGLBSA-N 0 0 195.262 1.256 10 0 ADAERN C[C@H]1Nc2sc(C=O)cc2NC1=O 76636817 572439640 /nfs/dbraw/zinc/43/96/40/572439640.db2.gz IQFBDCMYHXSZEY-SCSAIBSYSA-N 0 0 196.231 1.313 10 0 ADAERN CCC[C@@H](N)C(=O)c1cnc(C)s1 74237350 572439738 /nfs/dbraw/zinc/43/97/38/572439738.db2.gz ZYUXTPHJTSSRHX-SSDOTTSWSA-N 0 0 198.291 1.762 10 0 ADAERN CCN1C[C@@H](C)C(=O)N(C2CC2)C1=O 61221342 572439767 /nfs/dbraw/zinc/43/97/67/572439767.db2.gz FSTPDGOKOALABB-SSDOTTSWSA-N 0 0 196.250 1.069 10 0 ADAERN O=C1CCSC[C@@H]1Cc1cn[nH]c1 76636895 572441227 /nfs/dbraw/zinc/44/12/27/572441227.db2.gz BCQAANJXSVJWDJ-QMMMGPOBSA-N 0 0 196.275 1.274 10 0 ADAERN [NH3+][C@H]1CC[C@H](C(=O)[O-])CC12CCCC2 76637340 572439710 /nfs/dbraw/zinc/43/97/10/572439710.db2.gz UYRLGPXQBNJDAQ-IUCAKERBSA-N 0 0 197.278 1.759 10 0 ADAERN CCCC(=O)[C@@H](C)C[NH+](C)C 238240617 572439726 /nfs/dbraw/zinc/43/97/26/572439726.db2.gz ZHRZIXIQGIACFH-QMMMGPOBSA-N 0 0 157.257 1.553 10 0 ADAERN C[NH2+][C@H](CO)c1cccc(C)c1OC 238801710 572439779 /nfs/dbraw/zinc/43/97/79/572439779.db2.gz CWVZRHUPRKNLRQ-SNVBAGLBSA-N 0 0 195.262 1.256 10 0 ADAERN O=C1CSCc2oc(C3CC3)nc21 76636471 572439782 /nfs/dbraw/zinc/43/97/82/572439782.db2.gz KCNUMOGTMMJQFD-UHFFFAOYSA-N 0 0 195.243 1.982 10 0 ADAERN NC(=S)NCC(C1CC1)C1CC1 83894105 572439798 /nfs/dbraw/zinc/43/97/98/572439798.db2.gz IJONZYYNBMRCHI-UHFFFAOYSA-N 0 0 184.308 1.256 10 0 ADAERN O=C([O-])[C@H]1[NH2+]CCC12CCCCCC2 76637321 572439849 /nfs/dbraw/zinc/43/98/49/572439849.db2.gz AFEYSHQWMQUKTF-SECBINFHSA-N 0 0 197.278 1.774 10 0 ADAERN Nc1c[nH]c(-c2cnc3[nH]cnc3c2)c1 74236271 572439851 /nfs/dbraw/zinc/43/98/51/572439851.db2.gz FAJMZRLMCYYDQC-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN COC(=O)[C@H](NC(C)(C)C)[C@H](C)F 238801623 572439862 /nfs/dbraw/zinc/43/98/62/572439862.db2.gz QCRPNWKURXPDQB-NKWVEPMBSA-N 0 0 191.246 1.274 10 0 ADAERN Nc1cn(-c2cc3ccccc3[nH]2)nn1 74236257 572439881 /nfs/dbraw/zinc/43/98/81/572439881.db2.gz YFQHCIOEXNBXPX-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN CCCCC[C@H](O)/C=C/[S@@](C)=O 238239800 572439886 /nfs/dbraw/zinc/43/98/86/572439886.db2.gz OWPIYUPVZJHPDQ-GVMXVVJYSA-N 0 0 190.308 1.820 10 0 ADAERN CC(C)c1nc2c([nH]1)CSCC2=O 76636909 572439907 /nfs/dbraw/zinc/43/99/07/572439907.db2.gz HUFFPZUOALRHQJ-UHFFFAOYSA-N 0 0 196.275 1.963 10 0 ADAERN C[C@]1(C2CCCC2)CC[C@@H](C(=O)[O-])[NH2+]1 76637312 572439927 /nfs/dbraw/zinc/43/99/27/572439927.db2.gz VMFJGPSKSSXHGO-GXSJLCMTSA-N 0 0 197.278 1.772 10 0 ADAERN Nc1cn(-c2nc3ccccc3[nH]2)cn1 74236231 572439929 /nfs/dbraw/zinc/43/99/29/572439929.db2.gz CRMAWDUQBCAEFA-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN S=c1[nH]ncn1CC[C@H]1CCCO1 44510389 572441228 /nfs/dbraw/zinc/44/12/28/572441228.db2.gz OHVZYARFUQPKAF-SSDOTTSWSA-N 0 0 199.279 1.510 10 0 ADAERN Cc1cc(-c2[nH]nc(Cl)c2N)on1 74236536 572439948 /nfs/dbraw/zinc/43/99/48/572439948.db2.gz MEXUCOFNCWJFEH-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN O=Cc1cnc2c3c(ccc2c1)OCC3 74236420 572439959 /nfs/dbraw/zinc/43/99/59/572439959.db2.gz AHEHFUWLCOMGTH-UHFFFAOYSA-N 0 0 199.209 1.982 10 0 ADAERN C[NH2+][C@H](CO)c1cccc(N(C)C)c1 238801789 572439971 /nfs/dbraw/zinc/43/99/71/572439971.db2.gz PBZXQAWHQPPTCA-LLVKDONJSA-N 0 0 194.278 1.005 10 0 ADAERN C[C@@]1(C2CCCC2)CC[C@H](C(=O)[O-])[NH2+]1 76637311 572439985 /nfs/dbraw/zinc/43/99/85/572439985.db2.gz VMFJGPSKSSXHGO-KOLCDFICSA-N 0 0 197.278 1.772 10 0 ADAERN CCNC(=O)NC(=O)OCC(C)C 238239919 572440006 /nfs/dbraw/zinc/44/00/06/572440006.db2.gz RJTKHVVHQVVXDA-UHFFFAOYSA-N 0 0 188.227 1.098 10 0 ADAERN COC(=O)C=C(C)NCCC(C)C 238801718 572440015 /nfs/dbraw/zinc/44/00/15/572440015.db2.gz YWMHIIUBAYBDMA-CLFYSBASSA-N 0 0 185.267 1.699 10 0 ADAERN COC(=O)/C=C(/CO)CCC=C(C)C 238801779 572440037 /nfs/dbraw/zinc/44/00/37/572440037.db2.gz WTKOCFKIOJUVCC-JXMROGBWSA-N 0 0 198.262 1.825 10 0 ADAERN c1scc2c1NC[C@@H]1COCCN21 76636897 572440052 /nfs/dbraw/zinc/44/00/52/572440052.db2.gz QSRVJFOKLXONIU-SSDOTTSWSA-N 0 0 196.275 1.379 10 0 ADAERN CC(C)Cc1nc2c(o1)COCC2=O 76636352 572440102 /nfs/dbraw/zinc/44/01/02/572440102.db2.gz SMAIMJQBZAGIEJ-UHFFFAOYSA-N 0 0 195.218 1.586 10 0 ADAERN CCCCNC[NH2+]CCCC 238239857 572440126 /nfs/dbraw/zinc/44/01/26/572440126.db2.gz BBXAAPMWWDKIJN-UHFFFAOYSA-N 0 0 158.289 1.723 10 0 ADAERN O=C([O-])CC[C@H]1CC2CC[NH+](CC2)C1 76637270 572440159 /nfs/dbraw/zinc/44/01/59/572440159.db2.gz HFMKLACXQQRUOW-JTQLQIEISA-N 0 0 197.278 1.583 10 0 ADAERN CCC1(CC)[C@@H](C(=O)[O-])[C@]12CC[NH2+]C2 76637335 572440167 /nfs/dbraw/zinc/44/01/67/572440167.db2.gz AUSCSUNJPPVGSI-LDYMZIIASA-N 0 0 197.278 1.487 10 0 ADAERN O=C([O-])C[C@H]1[NH2+]CCC12CCCCC2 76637325 572440176 /nfs/dbraw/zinc/44/01/76/572440176.db2.gz IQACJMBUYPNXFG-SECBINFHSA-N 0 0 197.278 1.774 10 0 ADAERN C[C@@H]1CC[C@@H]([C@H](C)CCC(=O)[O-])[NH2+]C1 238803272 572440186 /nfs/dbraw/zinc/44/01/86/572440186.db2.gz GJNNVXXHPVJPCS-BBBLOLIVSA-N 0 0 199.294 1.875 10 0 ADAERN CCN1C[C@H](C)C(=O)N(C2CC2)C1=O 61221340 572440208 /nfs/dbraw/zinc/44/02/08/572440208.db2.gz FSTPDGOKOALABB-ZETCQYMHSA-N 0 0 196.250 1.069 10 0 ADAERN Nc1nsc(Cc2cncs2)n1 74237433 572441168 /nfs/dbraw/zinc/44/11/68/572441168.db2.gz CZBPOOZJNJWNHL-UHFFFAOYSA-N 0 0 198.276 1.168 10 0 ADAERN CCC[C@H]1[C@H](CC)C=NN1C(N)=O 238240612 572441169 /nfs/dbraw/zinc/44/11/69/572441169.db2.gz QTWMFWXWTUHGQE-SFYZADRCSA-N 0 0 183.255 1.561 10 0 ADAERN CONC1CC(C(C)C)C1 234736979 572440257 /nfs/dbraw/zinc/44/02/57/572440257.db2.gz LHEHDBWRCGILAB-UHFFFAOYSA-N 0 0 143.230 1.572 10 0 ADAERN Nc1c[nH]c(-c2nc3cc[nH]cc-3n2)c1 74236276 572440273 /nfs/dbraw/zinc/44/02/73/572440273.db2.gz YZBQYRKFEUJKLA-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN COC(=O)/C=C/C[C@H](O)C(C)(C)C 238801982 572440303 /nfs/dbraw/zinc/44/03/03/572440303.db2.gz DBIUQAYJEUOZPP-IVGLGHLBSA-N 0 0 186.251 1.513 10 0 ADAERN CC(C)c1[nH]nc2c1C(=O)CSC2 76636912 572440529 /nfs/dbraw/zinc/44/05/29/572440529.db2.gz AZAAUERSIYLMDD-UHFFFAOYSA-N 0 0 196.275 1.963 10 0 ADAERN CCC1(CC)[C@@H](C(=O)[O-])[C@@]12CC[NH2+]C2 76637331 572440345 /nfs/dbraw/zinc/44/03/45/572440345.db2.gz AUSCSUNJPPVGSI-KCJUWKMLSA-N 0 0 197.278 1.487 10 0 ADAERN Nc1cccc2[nH]c(-c3cn[nH]n3)cc12 74236254 572440355 /nfs/dbraw/zinc/44/03/55/572440355.db2.gz FSPKLTGJGYUVKW-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN CCC[C@H]1[C@@H](CC)C=NN1C(N)=O 238239611 572440357 /nfs/dbraw/zinc/44/03/57/572440357.db2.gz QTWMFWXWTUHGQE-YUMQZZPRSA-N 0 0 183.255 1.561 10 0 ADAERN COC(=O)/C=C/CC(C)(C)CCO 238801919 572440369 /nfs/dbraw/zinc/44/03/69/572440369.db2.gz YFKUCUGYRITJSG-SNAWJCMRSA-N 0 0 186.251 1.514 10 0 ADAERN Cc1nc([C@H]2CCCOC2)sc1N 74237391 572440394 /nfs/dbraw/zinc/44/03/94/572440394.db2.gz FFTFEVPPNVCJPE-ZETCQYMHSA-N 0 0 198.291 1.928 10 0 ADAERN CCC(=O)c1cc(CO)oc1CC 238240510 572440411 /nfs/dbraw/zinc/44/04/11/572440411.db2.gz VVFLZFUYWHIMFA-UHFFFAOYSA-N 0 0 182.219 1.927 10 0 ADAERN COC(=O)[C@H](O)c1cc(C(C)C)no1 238802282 572440427 /nfs/dbraw/zinc/44/04/27/572440427.db2.gz KEUIYYSHJHQLJF-MRVPVSSYSA-N 0 0 199.206 1.004 10 0 ADAERN C=CC(=O)NCC(C1CC1)C1CC1 83894059 572440449 /nfs/dbraw/zinc/44/04/49/572440449.db2.gz ADPDPCXNIDHUHK-UHFFFAOYSA-N 0 0 179.263 1.725 10 0 ADAERN CC(=CC(N)=O)NCc1ccccc1 207133741 572440462 /nfs/dbraw/zinc/44/04/62/572440462.db2.gz RELXCLZTYSAOJU-VQHVLOKHSA-N 0 0 190.246 1.165 10 0 ADAERN Cc1cnc([C@@H](C)N2CC(O)C2)s1 74237138 572440470 /nfs/dbraw/zinc/44/04/70/572440470.db2.gz LAHZCFRDBKSCFY-SSDOTTSWSA-N 0 0 198.291 1.189 10 0 ADAERN c1cc2c(o1)N1CCSC[C@@H]1CN2 76636903 572440490 /nfs/dbraw/zinc/44/04/90/572440490.db2.gz CLMTYDLLVQBVDS-ZETCQYMHSA-N 0 0 196.275 1.627 10 0 ADAERN COC(=O)/C=C/CC/C=C/[C@H](C)O 238801921 572440495 /nfs/dbraw/zinc/44/04/95/572440495.db2.gz UEIXRJDCIIGOLG-HMNNVMPBSA-N 0 0 184.235 1.433 10 0 ADAERN CC(C)[C@H]1Nc2oc(N)cc2NC1=O 76636399 572440516 /nfs/dbraw/zinc/44/05/16/572440516.db2.gz GEGGMGKOYCUBFZ-SSDOTTSWSA-N 0 0 195.222 1.250 10 0 ADAERN O[C@@H]1CCC[C@H]1C[C@@H]1CCCO1 53338592 572441182 /nfs/dbraw/zinc/44/11/82/572441182.db2.gz PFZPSMVTZPMKBH-LPEHRKFASA-N 0 0 170.252 1.717 10 0 ADAERN C=Cc1ccccc1[C@@H](O)C(=O)OC 238802298 572440565 /nfs/dbraw/zinc/44/05/65/572440565.db2.gz HCPWDHIAGPUDPO-SNVBAGLBSA-N 0 0 192.214 1.536 10 0 ADAERN CC(C)(C)c1nc2c(o1)COCC2=O 76636354 572440539 /nfs/dbraw/zinc/44/05/39/572440539.db2.gz NCMNCEMLLWJFEP-UHFFFAOYSA-N 0 0 195.218 1.685 10 0 ADAERN C[NH2+][C@H](CO)c1cccc(F)c1OC 238801770 572440588 /nfs/dbraw/zinc/44/05/88/572440588.db2.gz QZABEIZCFJAKOI-SECBINFHSA-N 0 0 199.225 1.087 10 0 ADAERN CN[C@H](C)c1nnc(NC2(C)CC2)o1 234443532 572440719 /nfs/dbraw/zinc/44/07/19/572440719.db2.gz VYEJEXJFXFJFNH-ZCFIWIBFSA-N 0 0 196.254 1.314 10 0 ADAERN CNCc1nnc([C@@H]2CC2(C)C)o1 234444594 572440729 /nfs/dbraw/zinc/44/07/29/572440729.db2.gz KFAQDZSMZODCEI-LURJTMIESA-N 0 0 181.239 1.303 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+]CCC1CC1 83893489 572440737 /nfs/dbraw/zinc/44/07/37/572440737.db2.gz ZDWMWRYAOHSXLL-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN O=C([O-])[C@@H]1[NH2+]CCC12CCCCCC2 76637324 572440767 /nfs/dbraw/zinc/44/07/67/572440767.db2.gz AFEYSHQWMQUKTF-VIFPVBQESA-N 0 0 197.278 1.774 10 0 ADAERN C[C@H]([NH3+])Cc1ccccc1CC(=O)[O-] 238802722 572440811 /nfs/dbraw/zinc/44/08/11/572440811.db2.gz AHSCFWUJQBWBDD-QMMMGPOBSA-N 0 0 193.246 1.203 10 0 ADAERN O=C1CCSC[C@H]1Cc1cn[nH]c1 76636893 572440821 /nfs/dbraw/zinc/44/08/21/572440821.db2.gz BCQAANJXSVJWDJ-MRVPVSSYSA-N 0 0 196.275 1.274 10 0 ADAERN CC[C@H](O)COc1c(C)nn(C)c1C 83893125 572440835 /nfs/dbraw/zinc/44/08/35/572440835.db2.gz VTTJIPNPTVDDKO-VIFPVBQESA-N 0 0 198.266 1.187 10 0 ADAERN CCc1nc2c(n1C)CSCC2=O 76636907 572440902 /nfs/dbraw/zinc/44/09/02/572440902.db2.gz NPVKGQGDUNQLQB-UHFFFAOYSA-N 0 0 196.275 1.412 10 0 ADAERN CCCCC[C@H]1CC1(CO)CO 238240591 572440984 /nfs/dbraw/zinc/44/09/84/572440984.db2.gz KHCCWAKEQSDLPY-VIFPVBQESA-N 0 0 172.268 1.558 10 0 ADAERN CN[C@H](C)c1nnc(NC2CCC2)o1 234443987 572440986 /nfs/dbraw/zinc/44/09/86/572440986.db2.gz YIYWVSBFGZGDKQ-ZCFIWIBFSA-N 0 0 196.254 1.314 10 0 ADAERN C[NH+]1CC[C@@H]2CC(C(=O)[O-])C[C@H]2CC1 76637291 572441088 /nfs/dbraw/zinc/44/10/88/572441088.db2.gz RIGGYDZSROXADL-RKDXNWHRSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)[C@@H]1Nc2oc(N)cc2NC1=O 76636401 572441137 /nfs/dbraw/zinc/44/11/37/572441137.db2.gz GEGGMGKOYCUBFZ-ZETCQYMHSA-N 0 0 195.222 1.250 10 0 ADAERN CN[C@@]1(C(F)F)CCCC[C@@H]1OC 234442997 572441142 /nfs/dbraw/zinc/44/11/42/572441142.db2.gz HLTYAYLMERLJBL-CBAPKCEASA-N 0 0 193.237 1.799 10 0 ADAERN c1cc2c(s1)NC[C@@H]1COCCN21 76636901 572441215 /nfs/dbraw/zinc/44/12/15/572441215.db2.gz METPNYMSNAZSFP-SSDOTTSWSA-N 0 0 196.275 1.379 10 0 ADAERN CC[NH2+][C@@H](C)P(=O)(OC)OC 238239750 572441290 /nfs/dbraw/zinc/44/12/90/572441290.db2.gz ILGICRKRXSGZSA-ZCFIWIBFSA-N 0 0 181.172 1.428 10 0 ADAERN C[NH+]1CC[C@H]2CC(C(=O)[O-])C[C@@H]2CC1 76637289 572441348 /nfs/dbraw/zinc/44/13/48/572441348.db2.gz RIGGYDZSROXADL-IUCAKERBSA-N 0 0 197.278 1.439 10 0 ADAERN CN1CC[C@H](CC(F)(F)F)C(=O)C1 76636312 572441362 /nfs/dbraw/zinc/44/13/62/572441362.db2.gz ZRHDQGCFPCJGPG-ZCFIWIBFSA-N 0 0 195.184 1.460 10 0 ADAERN c1scc2c1NC[C@H]1COCCN21 76636896 572441369 /nfs/dbraw/zinc/44/13/69/572441369.db2.gz QSRVJFOKLXONIU-ZETCQYMHSA-N 0 0 196.275 1.379 10 0 ADAERN Cc1nn(C)c(C)c1OCCCCO 83893110 572441405 /nfs/dbraw/zinc/44/14/05/572441405.db2.gz OHORSBXCVLNWRD-UHFFFAOYSA-N 0 0 198.266 1.188 10 0 ADAERN C[C@@]1(C2CCCC2)CC[C@@H](C(=O)[O-])[NH2+]1 76637314 572441437 /nfs/dbraw/zinc/44/14/37/572441437.db2.gz VMFJGPSKSSXHGO-ONGXEEELSA-N 0 0 197.278 1.772 10 0 ADAERN CN1CC[C@@H](CC(F)(F)F)C(=O)C1 76636314 572441484 /nfs/dbraw/zinc/44/14/84/572441484.db2.gz ZRHDQGCFPCJGPG-LURJTMIESA-N 0 0 195.184 1.460 10 0 ADAERN CC(C)[C@@H]1Nc2coc(N)c2NC1=O 76636397 572441487 /nfs/dbraw/zinc/44/14/87/572441487.db2.gz VAGCXRIKRZNSQY-LURJTMIESA-N 0 0 195.222 1.250 10 0 ADAERN CO[C@@H](C)Cc1nc(C)cc(=S)[nH]1 234738933 572441572 /nfs/dbraw/zinc/44/15/72/572441572.db2.gz OEZWRBKOXHHJKJ-ZETCQYMHSA-N 0 0 198.291 1.651 10 0 ADAERN CCC[C@H]1[C@@H](CC)C=NN1C(N)=S 238239632 572441601 /nfs/dbraw/zinc/44/16/01/572441601.db2.gz CMMUMDPHTXWPBX-YUMQZZPRSA-N 0 0 199.323 1.726 10 0 ADAERN C[C@H]1CCCC[C@H]1c1nc(CO)no1 714440450 572441673 /nfs/dbraw/zinc/44/16/73/572441673.db2.gz UPDLOMYLKGJVSL-JGVFFNPUSA-N 0 0 196.250 1.856 10 0 ADAERN COC[C@H](O)CSC(C)C 68891672 572441654 /nfs/dbraw/zinc/44/16/54/572441654.db2.gz ALOIXEXSJTTWDY-ZETCQYMHSA-N 0 0 164.270 1.135 10 0 ADAERN Nn1cnc(-c2c[nH]c3ccccc23)c1 74238197 572441707 /nfs/dbraw/zinc/44/17/07/572441707.db2.gz XTCOSMPINGGIFZ-UHFFFAOYSA-N 0 0 198.229 1.745 10 0 ADAERN CC(=O)[C@@H](C)N(C)CCC(F)(F)F 83889987 572441750 /nfs/dbraw/zinc/44/17/50/572441750.db2.gz FAHDGJDQLDBDGU-ZCFIWIBFSA-N 0 0 197.200 1.848 10 0 ADAERN CC(C)OC(=O)CC(=O)C(C)C 90372171 572441769 /nfs/dbraw/zinc/44/17/69/572441769.db2.gz RSNLWQKJOHYEAJ-UHFFFAOYSA-N 0 0 172.224 1.553 10 0 ADAERN CC[C@H](O)[C@@H](C)C[C@@H](C)CO 90372946 572441840 /nfs/dbraw/zinc/44/18/40/572441840.db2.gz QUXKWJULAWUWOG-VGMNWLOBSA-N 0 0 160.257 1.412 10 0 ADAERN C[C@@H]1CCCC[C@@H]1c1nc(CO)no1 714440456 572441864 /nfs/dbraw/zinc/44/18/64/572441864.db2.gz UPDLOMYLKGJVSL-SFYZADRCSA-N 0 0 196.250 1.856 10 0 ADAERN Nc1cn(-c2cccc3cc[nH]c23)cn1 74238174 572441905 /nfs/dbraw/zinc/44/19/05/572441905.db2.gz GMUIHKKGRUZKKD-UHFFFAOYSA-N 0 0 198.229 1.936 10 0 ADAERN Cc1ncsc1-c1nsc(N)n1 74237446 572441921 /nfs/dbraw/zinc/44/19/21/572441921.db2.gz NNUBIWWGMJXDJY-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN CC(C)(C)OC(=O)CNCCC1CC1 83894519 572441931 /nfs/dbraw/zinc/44/19/31/572441931.db2.gz ZBMGJEQBPUTQNO-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN Nc1cn(-c2c[nH]c3ccccc23)cn1 74238171 572441984 /nfs/dbraw/zinc/44/19/84/572441984.db2.gz ZLPUZTIGUIVQCA-UHFFFAOYSA-N 0 0 198.229 1.936 10 0 ADAERN Nc1nc(Cc2cscn2)ns1 74237440 572442053 /nfs/dbraw/zinc/44/20/53/572442053.db2.gz AGVNZOSEPJFSPP-UHFFFAOYSA-N 0 0 198.276 1.168 10 0 ADAERN Cc1nn(C)c2c(C=O)c(Cl)[nH]c12 76637458 572442054 /nfs/dbraw/zinc/44/20/54/572442054.db2.gz FBYNWFLINTWRJU-UHFFFAOYSA-N 0 0 197.625 1.676 10 0 ADAERN Nc1nsnc1-c1ccc[nH]1 236373010 572442065 /nfs/dbraw/zinc/44/20/65/572442065.db2.gz ZQQPSVYMFBFWDG-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN CCCCCCN1N=C(C)[C@@H](N)C1=O 238240105 572442109 /nfs/dbraw/zinc/44/21/09/572442109.db2.gz DWBHDFSNTFPYRM-SECBINFHSA-N 0 0 197.282 1.112 10 0 ADAERN CCN(CC)C(=O)c1nc(C)ns1 238820099 572442481 /nfs/dbraw/zinc/44/24/81/572442481.db2.gz CLDQKVHMQQGTOJ-UHFFFAOYSA-N 0 0 199.279 1.329 10 0 ADAERN CC(C)(C)[C@@](C)(O)[C@@H](N)c1ncco1 74237768 572442236 /nfs/dbraw/zinc/44/22/36/572442236.db2.gz ALCSVJJVFOFWHY-XVKPBYJWSA-N 0 0 198.266 1.472 10 0 ADAERN CO[C@H](C)C(=O)Cc1nc(C)cs1 87394894 572442349 /nfs/dbraw/zinc/44/23/49/572442349.db2.gz WLYOFQZVUDTRAY-SSDOTTSWSA-N 0 0 199.275 1.598 10 0 ADAERN C[N@@H+]1CC[C@@H]2C[C@H](C(=O)[O-])CC[C@H]21 250552714 572442378 /nfs/dbraw/zinc/44/23/78/572442378.db2.gz ANHAXSDAIWEJMK-IWSPIJDZSA-N 0 0 183.251 1.191 10 0 ADAERN Nc1nsc(Cc2cscn2)n1 74237431 572442405 /nfs/dbraw/zinc/44/24/05/572442405.db2.gz QVTCHNLTZMCOAW-UHFFFAOYSA-N 0 0 198.276 1.168 10 0 ADAERN CC(C)Cc1nc2c(o1)CNCC2=O 76636029 572442409 /nfs/dbraw/zinc/44/24/09/572442409.db2.gz NDPUQZWNNDZPRZ-UHFFFAOYSA-N 0 0 194.234 1.159 10 0 ADAERN CC(C)(C)c1nc2c(o1)CNCC2=O 76636030 572442490 /nfs/dbraw/zinc/44/24/90/572442490.db2.gz ZEUIZKGIVNROFZ-UHFFFAOYSA-N 0 0 194.234 1.258 10 0 ADAERN Nc1nc(Cc2cncs2)ns1 74237450 572442521 /nfs/dbraw/zinc/44/25/21/572442521.db2.gz MCVYEQNSLVEYAP-UHFFFAOYSA-N 0 0 198.276 1.168 10 0 ADAERN c1occ2c1NCC[C@@H]1COCCN21 76636057 572442536 /nfs/dbraw/zinc/44/25/36/572442536.db2.gz VGLIBGHFNRJJKN-MRVPVSSYSA-N 0 0 194.234 1.300 10 0 ADAERN C/C=C/C(=O)N(CC)[C@@H](C)COC 83860790 572442566 /nfs/dbraw/zinc/44/25/66/572442566.db2.gz BPALILINUWQWQD-IWGCBNPKSA-N 0 0 185.267 1.446 10 0 ADAERN CCOC(=O)[C@H](CC)NCCC1CC1 83894817 572442605 /nfs/dbraw/zinc/44/26/05/572442605.db2.gz ATCBMUBVXDPAIW-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN CC(C)(C)[C@@](C)(O)[C@H](N)c1ncco1 74237765 572442617 /nfs/dbraw/zinc/44/26/17/572442617.db2.gz ALCSVJJVFOFWHY-XCBNKYQSSA-N 0 0 198.266 1.472 10 0 ADAERN CCCC(=O)[C@@H](CC)NC(C)=O 238241091 572442660 /nfs/dbraw/zinc/44/26/60/572442660.db2.gz ZDOXVOJUEHRXGY-MRVPVSSYSA-N 0 0 171.240 1.270 10 0 ADAERN CC(=O)c1ccc2c(c1)OCCN2C 31893234 572442663 /nfs/dbraw/zinc/44/26/63/572442663.db2.gz OGDQRZHXGCDRSI-UHFFFAOYSA-N 0 0 191.230 1.718 10 0 ADAERN Nc1ccn(-c2ccc3[nH]ccc3c2)n1 74238148 572442812 /nfs/dbraw/zinc/44/28/12/572442812.db2.gz QBIXQSFNAHUYMI-UHFFFAOYSA-N 0 0 198.229 1.936 10 0 ADAERN NCc1nc(-c2cccs2)ns1 74239090 572442815 /nfs/dbraw/zinc/44/28/15/572442815.db2.gz PBAHZBZFIUWVIP-UHFFFAOYSA-N 0 0 197.288 1.725 10 0 ADAERN CC[C@H]1O[C@@H](CO)CC=CCC1=O 90373104 572442746 /nfs/dbraw/zinc/44/27/46/572442746.db2.gz MAPNNKKHMDMRJL-PSASIEDQSA-N 0 0 184.235 1.062 10 0 ADAERN C[C@@H](CN=[S@](C)(N)=O)C(C)(C)C 404732311 572442791 /nfs/dbraw/zinc/44/27/91/572442791.db2.gz VXZIKWDNAAQWKU-MADCSZMMSA-N 0 0 192.328 1.640 10 0 ADAERN CCCCC[C@H](OCCO)[C@H](C)O 238240092 572442857 /nfs/dbraw/zinc/44/28/57/572442857.db2.gz LVOMULORUMNOCP-UWVGGRQHSA-N 0 0 190.283 1.325 10 0 ADAERN CC(C)c1nc2c(n1C)COCC2=O 76636033 572442876 /nfs/dbraw/zinc/44/28/76/572442876.db2.gz PNCRTTIRVSRELQ-UHFFFAOYSA-N 0 0 194.234 1.256 10 0 ADAERN CC[C@H](C)C[C@@H](CO)[C@H](O)CC 90372970 572442912 /nfs/dbraw/zinc/44/29/12/572442912.db2.gz ARCONJADPUUMPL-LPEHRKFASA-N 0 0 174.284 1.802 10 0 ADAERN CC(C)(C)c1n[nH]c2c1C(=O)COC2 76636036 572443129 /nfs/dbraw/zinc/44/31/29/572443129.db2.gz YUEPSLBUEIJOEU-UHFFFAOYSA-N 0 0 194.234 1.420 10 0 ADAERN CCCC(=O)[C@@H](CC)[C@H](O)OC 238241250 572442982 /nfs/dbraw/zinc/44/29/82/572442982.db2.gz LLGALNUAVCEIBL-VXNVDRBHSA-N 0 0 174.240 1.347 10 0 ADAERN O[C@@H]1CCC[C@@H]1C[C@@H]1CCCO1 53338589 572442983 /nfs/dbraw/zinc/44/29/83/572442983.db2.gz PFZPSMVTZPMKBH-KXUCPTDWSA-N 0 0 170.252 1.717 10 0 ADAERN O=C([O-])C[C@@H]1[NH2+]CCC12CCCCC2 76637327 572443027 /nfs/dbraw/zinc/44/30/27/572443027.db2.gz IQACJMBUYPNXFG-VIFPVBQESA-N 0 0 197.278 1.774 10 0 ADAERN Cc1nc(-c2snnc2N)cs1 74237452 572443031 /nfs/dbraw/zinc/44/30/31/572443031.db2.gz RNARJAWSCPELGB-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN CCC[C@@H](N)c1nnc([C@@H](C)NC)o1 238241301 572443073 /nfs/dbraw/zinc/44/30/73/572443073.db2.gz KZURFRKAYCCRLV-RNFRBKRXSA-N 0 0 198.270 1.150 10 0 ADAERN Cc1scnc1-c1nc(N)ns1 74237425 572443141 /nfs/dbraw/zinc/44/31/41/572443141.db2.gz BREBBARCXDTNLH-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN CC(C)Cc1nc2c([nH]1)COCC2=O 76636031 572443168 /nfs/dbraw/zinc/44/31/68/572443168.db2.gz CUBSMYKWNHBCSD-UHFFFAOYSA-N 0 0 194.234 1.321 10 0 ADAERN CC1(C)C[C@@H]1CC[C@@](C)(O)CO 238240197 572443198 /nfs/dbraw/zinc/44/31/98/572443198.db2.gz JEMKZVNUIVRISX-WCBMZHEXSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1nc(-c2ncsn2)c(N)s1 74237419 572443210 /nfs/dbraw/zinc/44/32/10/572443210.db2.gz AUDGQPMDSDHNIP-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Cc1nc(-c2ncns2)c(N)s1 74237418 572443254 /nfs/dbraw/zinc/44/32/54/572443254.db2.gz TYTFTKNBXNGSTQ-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN C/C=C/C(=O)N(CC)[C@H](C)COC 83860792 572443270 /nfs/dbraw/zinc/44/32/70/572443270.db2.gz BPALILINUWQWQD-VPIOIWJLSA-N 0 0 185.267 1.446 10 0 ADAERN CC(C)(C)[C@](C)(O)[C@@H](N)c1ncco1 74237767 572443283 /nfs/dbraw/zinc/44/32/83/572443283.db2.gz ALCSVJJVFOFWHY-OIBJUYFYSA-N 0 0 198.266 1.472 10 0 ADAERN NC(=S)CC1(Cn2cccn2)CC1 83855384 572443286 /nfs/dbraw/zinc/44/32/86/572443286.db2.gz DKCPEJBMTDARIK-UHFFFAOYSA-N 0 0 195.291 1.340 10 0 ADAERN CC(C)(C)[C@](C)(O)[C@H](N)c1ncco1 74237763 572443308 /nfs/dbraw/zinc/44/33/08/572443308.db2.gz ALCSVJJVFOFWHY-GMSGAONNSA-N 0 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/nfs/dbraw/zinc/44/37/56/572443756.db2.gz DWPAGZCGXNEWLW-UHFFFAOYSA-N 0 0 187.308 1.868 10 0 ADAERN CCCSc1ncc(CO)c(N)n1 238240088 572443828 /nfs/dbraw/zinc/44/38/28/572443828.db2.gz HWWLOMRLTFLTBT-UHFFFAOYSA-N 0 0 199.279 1.053 10 0 ADAERN CCCC(=O)[C@@H](CC1CC1)C(=O)OC 238241271 572443836 /nfs/dbraw/zinc/44/38/36/572443836.db2.gz KXIMFHFXDVAPEF-SECBINFHSA-N 0 0 198.262 1.945 10 0 ADAERN Cc1ncsc1-c1snnc1N 74237454 572443840 /nfs/dbraw/zinc/44/38/40/572443840.db2.gz GUPQQAVJQJIEKZ-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Cc1nc2ccccc2n1C#N 44550779 572443932 /nfs/dbraw/zinc/44/39/32/572443932.db2.gz RVYIEANZYUQEEB-UHFFFAOYSA-N 0 0 157.176 1.674 10 0 ADAERN CCCOCOC[C@@H](C)C(C)=O 238241005 572443955 /nfs/dbraw/zinc/44/39/55/572443955.db2.gz LQSDNWVWIFZYRQ-MRVPVSSYSA-N 0 0 174.240 1.612 10 0 ADAERN CC1(C)C[C@@H]1CC[C@](C)(O)CO 238240238 572443988 /nfs/dbraw/zinc/44/39/88/572443988.db2.gz JEMKZVNUIVRISX-WPRPVWTQSA-N 0 0 172.268 1.556 10 0 ADAERN CCCC(=O)[C@@H](CC)[C@@H](O)OC 238241205 572444000 /nfs/dbraw/zinc/44/40/00/572444000.db2.gz LLGALNUAVCEIBL-APPZFPTMSA-N 0 0 174.240 1.347 10 0 ADAERN C[N@@H+]1CC[C@@H]2C[C@H](C(=O)[O-])CC[C@@H]21 250552702 572444017 /nfs/dbraw/zinc/44/40/17/572444017.db2.gz ANHAXSDAIWEJMK-HLTSFMKQSA-N 0 0 183.251 1.191 10 0 ADAERN Cc1csc(CC(=O)CN(C)C)n1 87394885 572444059 /nfs/dbraw/zinc/44/40/59/572444059.db2.gz MDEYTFFMQACJBY-UHFFFAOYSA-N 0 0 198.291 1.125 10 0 ADAERN Cc1cc(C)n(C(=O)N(C)C)n1 44550931 572444092 /nfs/dbraw/zinc/44/40/92/572444092.db2.gz COQUEMMLMWHWDQ-UHFFFAOYSA-N 0 0 167.212 1.030 10 0 ADAERN CCCC(=O)[C@@H](CC)C(=O)NCC 238240837 572444093 /nfs/dbraw/zinc/44/40/93/572444093.db2.gz DBQYKJLMEDKVAA-MRVPVSSYSA-N 0 0 185.267 1.518 10 0 ADAERN CCCCC[C@H](OCCO)[C@@H](C)O 238240080 572444100 /nfs/dbraw/zinc/44/41/00/572444100.db2.gz LVOMULORUMNOCP-ZJUUUORDSA-N 0 0 190.283 1.325 10 0 ADAERN CCCCOc1nc(C)cc(=O)n1C 238241143 572444162 /nfs/dbraw/zinc/44/41/62/572444162.db2.gz KJRFWLVGQCJCFW-UHFFFAOYSA-N 0 0 196.250 1.268 10 0 ADAERN C[N@@H+]1CC[C@@H]2C[C@@H](C(=O)[O-])CC[C@H]21 250552708 572444174 /nfs/dbraw/zinc/44/41/74/572444174.db2.gz ANHAXSDAIWEJMK-HRDYMLBCSA-N 0 0 183.251 1.191 10 0 ADAERN COC[C@@H](O)CSC(C)C 68891671 572444190 /nfs/dbraw/zinc/44/41/90/572444190.db2.gz ALOIXEXSJTTWDY-SSDOTTSWSA-N 0 0 164.270 1.135 10 0 ADAERN CCCCCCN1N=C(C)[C@H](N)C1=O 238240116 572444205 /nfs/dbraw/zinc/44/42/05/572444205.db2.gz DWBHDFSNTFPYRM-VIFPVBQESA-N 0 0 197.282 1.112 10 0 ADAERN Cc1cc(=O)oc2c1c(Cl)nn2C 76637703 572444213 /nfs/dbraw/zinc/44/42/13/572444213.db2.gz PIEXHNGKDAOILQ-UHFFFAOYSA-N 0 0 198.609 1.488 10 0 ADAERN O[C@@H](c1cccnc1)c1ccoc1 68890711 572444220 /nfs/dbraw/zinc/44/42/20/572444220.db2.gz SVNWGQASCLHMHD-JTQLQIEISA-N 0 0 175.187 1.756 10 0 ADAERN NC(=S)CC1(Cn2ccnc2)CC1 83855389 572444290 /nfs/dbraw/zinc/44/42/90/572444290.db2.gz URAQTGGIGSBCPA-UHFFFAOYSA-N 0 0 195.291 1.340 10 0 ADAERN CCCSC[C@H](O)COC 68891575 572444401 /nfs/dbraw/zinc/44/44/01/572444401.db2.gz UNYKHAOZRPPTMS-SSDOTTSWSA-N 0 0 164.270 1.137 10 0 ADAERN CCCCOC(=O)CNCCC1CC1 83894630 572444512 /nfs/dbraw/zinc/44/45/12/572444512.db2.gz FOVRDFZDAMGWTJ-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CCCSc1ncc(CC)c(=O)[nH]1 238240057 572444589 /nfs/dbraw/zinc/44/45/89/572444589.db2.gz CEXXFAINTUAVJQ-UHFFFAOYSA-N 0 0 198.291 1.834 10 0 ADAERN CCCCNC(=O)c1nc(C)ns1 238878258 572444681 /nfs/dbraw/zinc/44/46/81/572444681.db2.gz OPLDIQWDFWGUPP-UHFFFAOYSA-N 0 0 199.279 1.376 10 0 ADAERN CC=C(CCCO)CCCO 238240090 572444700 /nfs/dbraw/zinc/44/47/00/572444700.db2.gz URYQDJZENUCNKF-UHFFFAOYSA-N 0 0 158.241 1.478 10 0 ADAERN CCCOC(=O)c1ccc(N)s1 31893724 572444815 /nfs/dbraw/zinc/44/48/15/572444815.db2.gz VFLCUKFTMJXISB-UHFFFAOYSA-N 0 0 185.248 1.897 10 0 ADAERN C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCCC[C@H]21 250551082 572444720 /nfs/dbraw/zinc/44/47/20/572444720.db2.gz AGGFZYUEOGKDPJ-BBBLOLIVSA-N 0 0 197.278 1.724 10 0 ADAERN Cc1n[nH]cc1-c1[nH]nc(Cl)c1N 74238699 572444734 /nfs/dbraw/zinc/44/47/34/572444734.db2.gz MIRVKRMXFQELCB-UHFFFAOYSA-N 0 0 197.629 1.344 10 0 ADAERN CC[C@H]([NH2+]CCC1CC1)C(=O)[O-] 83894821 572444755 /nfs/dbraw/zinc/44/47/55/572444755.db2.gz WKQQTMLKAJAVJH-QMMMGPOBSA-N 0 0 171.240 1.239 10 0 ADAERN CCCCCCN1C(=O)C=C[C@@H]1O 238240155 572444822 /nfs/dbraw/zinc/44/48/22/572444822.db2.gz DVVWVHIZTODOCH-VIFPVBQESA-N 0 0 183.251 1.284 10 0 ADAERN CCCCC1=CCCN1C(N)=O 238240211 572444828 /nfs/dbraw/zinc/44/48/28/572444828.db2.gz WLFXWKMMHWBELH-UHFFFAOYSA-N 0 0 168.240 1.845 10 0 ADAERN CC[C@@H]([NH2+]CCC1CC1)C(=O)[O-] 83894822 572444830 /nfs/dbraw/zinc/44/48/30/572444830.db2.gz WKQQTMLKAJAVJH-MRVPVSSYSA-N 0 0 171.240 1.239 10 0 ADAERN NC(=S)CC1(COCC2CC2)CC1 83855575 572444899 /nfs/dbraw/zinc/44/48/99/572444899.db2.gz TWCJEWQPOWJGTA-UHFFFAOYSA-N 0 0 199.319 1.869 10 0 ADAERN C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCCC[C@@H]21 250551084 572444918 /nfs/dbraw/zinc/44/49/18/572444918.db2.gz AGGFZYUEOGKDPJ-GUBZILKMSA-N 0 0 197.278 1.724 10 0 ADAERN CCCOCOCNC(=O)OCC 238240984 572444938 /nfs/dbraw/zinc/44/49/38/572444938.db2.gz LWKLCVYGSTXJCK-UHFFFAOYSA-N 0 0 191.227 1.091 10 0 ADAERN CCCOCOC[C@H](C)C(C)=O 238241052 572444958 /nfs/dbraw/zinc/44/49/58/572444958.db2.gz LQSDNWVWIFZYRQ-QMMMGPOBSA-N 0 0 174.240 1.612 10 0 ADAERN CC(C)(C)c1nc2c([nH]1)COCC2=O 76636032 572444963 /nfs/dbraw/zinc/44/49/63/572444963.db2.gz QGIJSWLXHMRCEN-UHFFFAOYSA-N 0 0 194.234 1.420 10 0 ADAERN CC(C)OC(=O)CNCCC1CC1 83894736 572444973 /nfs/dbraw/zinc/44/49/73/572444973.db2.gz XNWGTHLIZISPFV-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN CCCC(=O)Oc1cc(N)ccc1O 238240128 572444979 /nfs/dbraw/zinc/44/49/79/572444979.db2.gz CVPASEPWMHTXFR-UHFFFAOYSA-N 0 0 195.218 1.680 10 0 ADAERN O[C@H](c1cccnc1)c1ccoc1 68890712 572445054 /nfs/dbraw/zinc/44/50/54/572445054.db2.gz SVNWGQASCLHMHD-SNVBAGLBSA-N 0 0 175.187 1.756 10 0 ADAERN CCCSC[C@@H](O)COC 68891576 572445061 /nfs/dbraw/zinc/44/50/61/572445061.db2.gz UNYKHAOZRPPTMS-ZETCQYMHSA-N 0 0 164.270 1.137 10 0 ADAERN C[N@@H+]1CC[C@H](C2CC2)[C@@H](C(=O)[O-])C1 250551647 572445068 /nfs/dbraw/zinc/44/50/68/572445068.db2.gz AIGTXLXNFIJWKC-BDAKNGLRSA-N 0 0 183.251 1.049 10 0 ADAERN c1cc2c(o1)N1CCOC[C@H]1CCN2 76636059 572445088 /nfs/dbraw/zinc/44/50/88/572445088.db2.gz IUUHVDJXVUKDOT-MRVPVSSYSA-N 0 0 194.234 1.300 10 0 ADAERN CC(C)Cc1onc(C[NH3+])c1C(=O)[O-] 74238415 572445095 /nfs/dbraw/zinc/44/50/95/572445095.db2.gz FDUNBBRHKHWPRF-UHFFFAOYSA-N 0 0 198.222 1.030 10 0 ADAERN Cc1nocc1[C@H](CC(=O)[O-])[NH+](C)C 74238439 572445100 /nfs/dbraw/zinc/44/51/00/572445100.db2.gz XMADNXLBMNGRFG-QMMMGPOBSA-N 0 0 198.222 1.060 10 0 ADAERN CCCC(=O)[C@@H](CC)OCCO 238241113 572445105 /nfs/dbraw/zinc/44/51/05/572445105.db2.gz RNIFBVROEJHGBI-SECBINFHSA-N 0 0 174.240 1.143 10 0 ADAERN C[C@H](C[NH2+]CCC1CC1)C(=O)[O-] 83894687 572445109 /nfs/dbraw/zinc/44/51/09/572445109.db2.gz NHRMDMWZIKZYEP-SSDOTTSWSA-N 0 0 171.240 1.097 10 0 ADAERN C[N@@H+]1CCC[C@]2(CC(=O)CCS2)C1 74214556 572445115 /nfs/dbraw/zinc/44/51/15/572445115.db2.gz ZDUZAPOJOYYZFG-JTQLQIEISA-N 0 0 199.319 1.547 10 0 ADAERN CCOC(=O)[C@@H](C)NCCC1CC1 83894585 572445184 /nfs/dbraw/zinc/44/51/84/572445184.db2.gz IMWXXGKAKQIOCQ-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN O=C1CSCc2n[nH]c(C3CC3)c21 76636081 572445192 /nfs/dbraw/zinc/44/51/92/572445192.db2.gz UTJVOZUAUSFONK-UHFFFAOYSA-N 0 0 194.259 1.717 10 0 ADAERN CC[C@@H](C)/C=C\C(=O)OC 44559776 572445200 /nfs/dbraw/zinc/44/52/00/572445200.db2.gz GUADBGOTWRWTRH-KXTMECRCSA-N 0 0 142.198 1.762 10 0 ADAERN O[C@@H](CCc1nccs1)C1CC1 87395916 572445222 /nfs/dbraw/zinc/44/52/22/572445222.db2.gz LSCLBYUUVWYQJX-QMMMGPOBSA-N 0 0 183.276 1.847 10 0 ADAERN COC[C@H](O)CCc1nccs1 87395892 572445230 /nfs/dbraw/zinc/44/52/30/572445230.db2.gz LVVSOFCVGJCEBZ-SSDOTTSWSA-N 0 0 187.264 1.083 10 0 ADAERN c1occ2c1NCC[C@H]1COCCN21 76636056 572445254 /nfs/dbraw/zinc/44/52/54/572445254.db2.gz VGLIBGHFNRJJKN-QMMMGPOBSA-N 0 0 194.234 1.300 10 0 ADAERN O=C([O-])CCC[NH2+]CCC1CC1 83894757 572445260 /nfs/dbraw/zinc/44/52/60/572445260.db2.gz QYSVNIQGVQJFEM-UHFFFAOYSA-N 0 0 171.240 1.241 10 0 ADAERN C[N@@H+]1CC[C@@H](C2CC2)[C@@H](C(=O)[O-])C1 250551649 572445269 /nfs/dbraw/zinc/44/52/69/572445269.db2.gz AIGTXLXNFIJWKC-IUCAKERBSA-N 0 0 183.251 1.049 10 0 ADAERN O=C1CSCc2[nH]c(C3CC3)nc21 76636080 572445312 /nfs/dbraw/zinc/44/53/12/572445312.db2.gz LEOSSMMRVLGCHH-UHFFFAOYSA-N 0 0 194.259 1.717 10 0 ADAERN CCC(C)(C)OCCOC 44559957 572445367 /nfs/dbraw/zinc/44/53/67/572445367.db2.gz JFUGRCRDTDJWMY-UHFFFAOYSA-N 0 0 146.230 1.838 10 0 ADAERN CCCCCCNC(=[NH2+])C(=O)[O-] 238240275 572445371 /nfs/dbraw/zinc/44/53/71/572445371.db2.gz UHJDUYCXHMXGMO-UHFFFAOYSA-N 0 0 172.228 1.218 10 0 ADAERN CCCCCCN1C(=O)C=C[C@H]1O 238240174 572445384 /nfs/dbraw/zinc/44/53/84/572445384.db2.gz DVVWVHIZTODOCH-SECBINFHSA-N 0 0 183.251 1.284 10 0 ADAERN C[C@H]1CCCC[C@@H]1c1nc(CO)no1 714440459 572445391 /nfs/dbraw/zinc/44/53/91/572445391.db2.gz UPDLOMYLKGJVSL-YUMQZZPRSA-N 0 0 196.250 1.856 10 0 ADAERN c1cc2c(o1)N1CCOC[C@@H]1CCN2 76636058 572445406 /nfs/dbraw/zinc/44/54/06/572445406.db2.gz IUUHVDJXVUKDOT-QMMMGPOBSA-N 0 0 194.234 1.300 10 0 ADAERN Cc1oncc1-c1onc(Cl)c1N 74214314 572446081 /nfs/dbraw/zinc/44/60/81/572446081.db2.gz ALXHJVWUJKPDAJ-UHFFFAOYSA-N 0 0 199.597 1.874 10 0 ADAERN O=C1CCN(CC(C2CC2)C2CC2)C1 83895121 572445568 /nfs/dbraw/zinc/44/55/68/572445568.db2.gz GQQTYSLGMRVJGK-UHFFFAOYSA-N 0 0 193.290 1.697 10 0 ADAERN C[C@@H](C[NH2+]CCC1CC1)C(=O)[O-] 83894686 572445582 /nfs/dbraw/zinc/44/55/82/572445582.db2.gz NHRMDMWZIKZYEP-ZETCQYMHSA-N 0 0 171.240 1.097 10 0 ADAERN CSCC[C@@H]1COCC[C@@H]1O 235044800 572445592 /nfs/dbraw/zinc/44/55/92/572445592.db2.gz RLJIEIGPOTZUCG-SFYZADRCSA-N 0 0 176.281 1.137 10 0 ADAERN CCCOCOCCC(C)=O 238240923 572445624 /nfs/dbraw/zinc/44/56/24/572445624.db2.gz IQUFAUYZROVKJT-UHFFFAOYSA-N 0 0 160.213 1.366 10 0 ADAERN CCCCC(C)(C)[C@@H](O)CO 90424946 572452619 /nfs/dbraw/zinc/45/26/19/572452619.db2.gz KWZRLYYMAAMPQA-QMMMGPOBSA-N 0 0 160.257 1.556 10 0 ADAERN CNC(=O)CSC/C=C\Cl 207181747 572445704 /nfs/dbraw/zinc/44/57/04/572445704.db2.gz HAEZHQWJRYKABI-IHWYPQMZSA-N 0 0 179.672 1.218 10 0 ADAERN CCOC(=O)[C@H](C)NCCC1CC1 83894586 572445709 /nfs/dbraw/zinc/44/57/09/572445709.db2.gz IMWXXGKAKQIOCQ-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)c1onc([C@H](C)[NH3+])c1C(=O)[O-] 74238407 572445715 /nfs/dbraw/zinc/44/57/15/572445715.db2.gz AGOJELBEVTXGLN-YFKPBYRVSA-N 0 0 198.222 1.516 10 0 ADAERN NCc1nc2cc(N)c(Cl)cc2o1 74238702 572445725 /nfs/dbraw/zinc/44/57/25/572445725.db2.gz XLKVDXSNLLKTPF-UHFFFAOYSA-N 0 0 197.625 1.522 10 0 ADAERN CCc1nc2ccccc2n1C#N 44550781 572445871 /nfs/dbraw/zinc/44/58/71/572445871.db2.gz DHTIHBPNPJWFCT-UHFFFAOYSA-N 0 0 171.203 1.928 10 0 ADAERN C[NH2+]Cc1noc(C(C)C)c1C(=O)[O-] 74238417 572445996 /nfs/dbraw/zinc/44/59/96/572445996.db2.gz HUMAGMKGRBXXOH-UHFFFAOYSA-N 0 0 198.222 1.216 10 0 ADAERN CCCC1(C)COC1 32167285 572446035 /nfs/dbraw/zinc/44/60/35/572446035.db2.gz VMDLIHFPTHBGRM-UHFFFAOYSA-N 0 0 114.188 1.823 10 0 ADAERN CC[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H]1C1CC1 238241453 572446066 /nfs/dbraw/zinc/44/60/66/572446066.db2.gz AUAHCQXIRLSYTI-ONGXEEELSA-N 0 0 197.278 1.582 10 0 ADAERN CCOC(=O)C[C@@H]1CC[C@H](O)C1 238248494 572455213 /nfs/dbraw/zinc/45/52/13/572455213.db2.gz WJNRQNDTZCXQCZ-SFYZADRCSA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)C(=O)Cc1ccccc1F 32009320 572446159 /nfs/dbraw/zinc/44/61/59/572446159.db2.gz FLZITMTXIUYVEN-UHFFFAOYSA-N 0 0 196.177 1.110 10 0 ADAERN C[C@@H]1CC[C@@H](CCC(=O)[O-])[N@H+](C)CC1 76637848 572446182 /nfs/dbraw/zinc/44/61/82/572446182.db2.gz LAPFPSCTBOKUMZ-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN O=C([O-])CC[NH2+]CC(C1CC1)C1CC1 83894974 572446190 /nfs/dbraw/zinc/44/61/90/572446190.db2.gz XLKJVZLUSAZICW-UHFFFAOYSA-N 0 0 197.278 1.487 10 0 ADAERN CCCOCC1(CC(N)=S)CC1 83855607 572446218 /nfs/dbraw/zinc/44/62/18/572446218.db2.gz REAXUDIWYYWLBG-UHFFFAOYSA-N 0 0 187.308 1.869 10 0 ADAERN C[C@H]1[C@H](CCC(=O)[O-])CC[C@@H](C)[N@H+]1C 76637854 572446236 /nfs/dbraw/zinc/44/62/36/572446236.db2.gz OGXPPIMEVBEXRS-UTLUCORTSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H](C)[NH+]1CCCCC1 74214746 572448616 /nfs/dbraw/zinc/44/86/16/572448616.db2.gz SETOBTCCANMFOZ-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[N@@H+]1CC[C@H](CC(=O)[O-])[C@@H]1C(C)C 238242755 572446374 /nfs/dbraw/zinc/44/63/74/572446374.db2.gz WRCXXCDACAPIMP-KOLCDFICSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1CC[C@H](CCC(=O)[O-])[N@H+](C)CC1 76637846 572446384 /nfs/dbraw/zinc/44/63/84/572446384.db2.gz LAPFPSCTBOKUMZ-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ncoc1[C@@H](CC(=O)[O-])[NH+](C)C 74238434 572446451 /nfs/dbraw/zinc/44/64/51/572446451.db2.gz NWUQXCOFXQLENK-SSDOTTSWSA-N 0 0 198.222 1.060 10 0 ADAERN COCc1nc2c(o1)CSCC2=O 76637789 572446521 /nfs/dbraw/zinc/44/65/21/572446521.db2.gz FCCKOVYIDXQAJP-UHFFFAOYSA-N 0 0 199.231 1.251 10 0 ADAERN C[C@H]1C[C@@H](C)C[N@H+](CC(=O)C2CC2)C1 68893952 572446525 /nfs/dbraw/zinc/44/65/25/572446525.db2.gz TVCIVNZRKZPZOR-AOOOYVTPSA-N 0 0 195.306 1.943 10 0 ADAERN Cc1conc1-c1onc(Cl)c1N 74214317 572446609 /nfs/dbraw/zinc/44/66/09/572446609.db2.gz SJNIXDBGFYLPBU-UHFFFAOYSA-N 0 0 199.597 1.874 10 0 ADAERN O=C(COC[C@@H]1CCCCO1)C1CC1 68901452 572446621 /nfs/dbraw/zinc/44/66/21/572446621.db2.gz KVYKTPWNPCHEBG-JTQLQIEISA-N 0 0 198.262 1.551 10 0 ADAERN CCCCC[C@H]1C[C@@H](C)C(=O)NC1=O 238242173 572446631 /nfs/dbraw/zinc/44/66/31/572446631.db2.gz MSUBROJQPMAADR-BDAKNGLRSA-N 0 0 197.278 1.866 10 0 ADAERN CCCCOc1cccnc1C(N)=O 238240762 572446650 /nfs/dbraw/zinc/44/66/50/572446650.db2.gz HHIJWEMPNISEOK-UHFFFAOYSA-N 0 0 194.234 1.359 10 0 ADAERN CC=C=CCCC(=O)C[C@H](O)C(C)=O 238241441 572446658 /nfs/dbraw/zinc/44/66/58/572446658.db2.gz JPJQRAYYMKTINS-BDBINITHSA-N 0 0 196.246 1.407 10 0 ADAERN CC[C@H](C)C[C@H](C)[NH2+]CCC(=O)[O-] 83864707 572446714 /nfs/dbraw/zinc/44/67/14/572446714.db2.gz OAXSLXKZZHPUTA-IUCAKERBSA-N 0 0 187.283 1.875 10 0 ADAERN Cc1ncoc1[C@H](CC(=O)[O-])[NH+](C)C 74238435 572446720 /nfs/dbraw/zinc/44/67/20/572446720.db2.gz NWUQXCOFXQLENK-ZETCQYMHSA-N 0 0 198.222 1.060 10 0 ADAERN CC[NH2+]CCc1cccc(C(=O)[O-])c1 238241858 572446722 /nfs/dbraw/zinc/44/67/22/572446722.db2.gz VIIXQGZSBYAHJO-UHFFFAOYSA-N 0 0 193.246 1.537 10 0 ADAERN CC[C@@H](C)C[C@H](C)N1CCC(=O)C1=O 83865058 572446731 /nfs/dbraw/zinc/44/67/31/572446731.db2.gz RPXOJQWBDBOKCB-BDAKNGLRSA-N 0 0 197.278 1.613 10 0 ADAERN CC(C)C[C@@H]([NH3+])c1nocc1C(=O)[O-] 74238412 572446742 /nfs/dbraw/zinc/44/67/42/572446742.db2.gz HBRROVPEBGAITJ-SSDOTTSWSA-N 0 0 198.222 1.419 10 0 ADAERN O=C(CN1CCSC1=O)C1CC1 68899808 572446760 /nfs/dbraw/zinc/44/67/60/572446760.db2.gz VIPIXCFRYJXYTR-UHFFFAOYSA-N 0 0 185.248 1.134 10 0 ADAERN CC[N@@H+](CC(=O)C1CC1)CC(C)C 68894356 572446771 /nfs/dbraw/zinc/44/67/71/572446771.db2.gz LDQFGBJPWMEMNT-UHFFFAOYSA-N 0 0 183.295 1.943 10 0 ADAERN Cc1cc(-c2onc(Cl)c2N)on1 74214316 572446782 /nfs/dbraw/zinc/44/67/82/572446782.db2.gz RSCUPJBCEVEEEY-UHFFFAOYSA-N 0 0 199.597 1.874 10 0 ADAERN Cc1cnoc1-c1onc(Cl)c1N 74214318 572446786 /nfs/dbraw/zinc/44/67/86/572446786.db2.gz DUMOUJUFDYLKTB-UHFFFAOYSA-N 0 0 199.597 1.874 10 0 ADAERN O=C(COC1CCC1)C1CC1 68905203 572446787 /nfs/dbraw/zinc/44/67/87/572446787.db2.gz NKNIWOYMGYNCAR-UHFFFAOYSA-N 0 0 154.209 1.535 10 0 ADAERN CCSCCNC(=O)C(C)(C)C 308027222 572446800 /nfs/dbraw/zinc/44/68/00/572446800.db2.gz HPTKWLIIWYTHAV-UHFFFAOYSA-N 0 0 189.324 1.902 10 0 ADAERN CCCOCC(=O)C1CC1 68902234 572446902 /nfs/dbraw/zinc/44/69/02/572446902.db2.gz PBLIQKYBDXYHMZ-UHFFFAOYSA-N 0 0 142.198 1.392 10 0 ADAERN Cc1nocc1[C@@H](CC(=O)[O-])[NH+](C)C 74238437 572446917 /nfs/dbraw/zinc/44/69/17/572446917.db2.gz XMADNXLBMNGRFG-MRVPVSSYSA-N 0 0 198.222 1.060 10 0 ADAERN CC=C=CCCC(=O)C[C@@H](O)C(C)=O 238241430 572446944 /nfs/dbraw/zinc/44/69/44/572446944.db2.gz JPJQRAYYMKTINS-RGRLBOMHSA-N 0 0 196.246 1.407 10 0 ADAERN CC(=O)Cc1cnc2n1[C@H](C)CCC2 107179772 572446970 /nfs/dbraw/zinc/44/69/70/572446970.db2.gz RTLSZCQSDIXOLZ-MRVPVSSYSA-N 0 0 192.262 1.912 10 0 ADAERN Nn1cc(-c2cccs2)[nH]c1=S 74239122 572446973 /nfs/dbraw/zinc/44/69/73/572446973.db2.gz ZHEQTLOILLUCOH-UHFFFAOYSA-N 0 0 197.288 1.988 10 0 ADAERN COC[C@@H](O)CCc1nccs1 87395893 572446980 /nfs/dbraw/zinc/44/69/80/572446980.db2.gz LVVSOFCVGJCEBZ-ZETCQYMHSA-N 0 0 187.264 1.083 10 0 ADAERN CSC1(CN2CCC(=O)C2)CC1 235046865 572446998 /nfs/dbraw/zinc/44/69/98/572446998.db2.gz HQOVBZIGIYODQX-UHFFFAOYSA-N 0 0 185.292 1.157 10 0 ADAERN CCCS/C=C/CO 208925647 572447062 /nfs/dbraw/zinc/44/70/62/572447062.db2.gz DOCWIYNQLMXKGM-ZZXKWVIFSA-N 0 0 132.228 1.636 10 0 ADAERN CC[C@@H](C)C[C@H](C)[NH2+]CCC(=O)[O-] 83864706 572447081 /nfs/dbraw/zinc/44/70/81/572447081.db2.gz OAXSLXKZZHPUTA-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)(C)c1onc(C[NH3+])c1C(=O)[O-] 74238409 572447194 /nfs/dbraw/zinc/44/71/94/572447194.db2.gz KJXXKJCKBOJVHR-UHFFFAOYSA-N 0 0 198.222 1.129 10 0 ADAERN CC[C@@H](C)C[C@@H](C)[NH2+]CCC(=O)[O-] 83864704 572447221 /nfs/dbraw/zinc/44/72/21/572447221.db2.gz OAXSLXKZZHPUTA-RKDXNWHRSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)(C)OCC(=O)C1CC1 68901985 572447225 /nfs/dbraw/zinc/44/72/25/572447225.db2.gz CDCMAPDXRQUQER-UHFFFAOYSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)C[C@H](CC(=O)[O-])[C@H]1CC[NH2+]C1 74214734 572449023 /nfs/dbraw/zinc/44/90/23/572449023.db2.gz VFNCDBCCZGCSEJ-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN CC[C@@H](C)C[C@H](C)N1C(=O)C=CC1=O 83865160 572447246 /nfs/dbraw/zinc/44/72/46/572447246.db2.gz NVSRWPKYCMBAFS-BDAKNGLRSA-N 0 0 195.262 1.736 10 0 ADAERN CC(C)OC[C@@H](O)C1CC1 68910943 572447328 /nfs/dbraw/zinc/44/73/28/572447328.db2.gz RORPFLRPJCASCN-MRVPVSSYSA-N 0 0 144.214 1.182 10 0 ADAERN CCCCOc1ncnc(C)c1N 238241387 572447344 /nfs/dbraw/zinc/44/73/44/572447344.db2.gz SQUCHPDOASUMQH-UHFFFAOYSA-N 0 0 181.239 1.546 10 0 ADAERN O[C@H](CCc1nccs1)C1CC1 87395917 572447423 /nfs/dbraw/zinc/44/74/23/572447423.db2.gz LSCLBYUUVWYQJX-MRVPVSSYSA-N 0 0 183.276 1.847 10 0 ADAERN C[C@H]1CC[C@@H](CCC(=O)[O-])[N@H+](C)CC1 76637850 572447428 /nfs/dbraw/zinc/44/74/28/572447428.db2.gz LAPFPSCTBOKUMZ-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C)C[C@H](C)[NH2+]CC(=O)[O-] 83864515 572447467 /nfs/dbraw/zinc/44/74/67/572447467.db2.gz QORGZNFNSWOHCD-YUMQZZPRSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@@H](C)C[C@H](C)[NH2+]CC(=O)[O-] 83864514 572447472 /nfs/dbraw/zinc/44/74/72/572447472.db2.gz QORGZNFNSWOHCD-SFYZADRCSA-N 0 0 173.256 1.485 10 0 ADAERN C[N@@H+]1CCC[C@@]2(CC(=O)CCS2)C1 74214557 572447474 /nfs/dbraw/zinc/44/74/74/572447474.db2.gz ZDUZAPOJOYYZFG-SNVBAGLBSA-N 0 0 199.319 1.547 10 0 ADAERN Cc1ncoc1-c1onc(Cl)c1N 74214321 572447512 /nfs/dbraw/zinc/44/75/12/572447512.db2.gz GOWPHTIEUWCZHO-UHFFFAOYSA-N 0 0 199.597 1.874 10 0 ADAERN CC[C@@H](C)C[C@@H](C)N1C(=O)C=CC1=O 83865158 572447515 /nfs/dbraw/zinc/44/75/15/572447515.db2.gz NVSRWPKYCMBAFS-RKDXNWHRSA-N 0 0 195.262 1.736 10 0 ADAERN CC(=O)Cc1cnc2n1CC[C@@H](C)C2 107179777 572447521 /nfs/dbraw/zinc/44/75/21/572447521.db2.gz LQPBMBNVKQLYAK-MRVPVSSYSA-N 0 0 192.262 1.597 10 0 ADAERN O[C@@H](CCC1CC1)c1ncccn1 83936305 572447527 /nfs/dbraw/zinc/44/75/27/572447527.db2.gz YFFPGTGAGNBDCB-VIFPVBQESA-N 0 0 178.235 1.700 10 0 ADAERN CN(C)Cc1csc(C(C)(C)[NH3+])n1 74214516 572447535 /nfs/dbraw/zinc/44/75/35/572447535.db2.gz GPYXAYNAWUDOQM-UHFFFAOYSA-N 0 0 199.323 1.399 10 0 ADAERN CC[C@@H](C)C[C@H](C)N1CCNCC1=O 83866272 572447545 /nfs/dbraw/zinc/44/75/45/572447545.db2.gz CDSHCJOWJVAKOL-ZJUUUORDSA-N 0 0 198.310 1.243 10 0 ADAERN O[C@H](COC1CCCC1)C1CC1 68910510 572447579 /nfs/dbraw/zinc/44/75/79/572447579.db2.gz YWDSJMIAAIOWNJ-SNVBAGLBSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@@H](C)C[C@H](C)NCC(=O)OC 83864498 572447600 /nfs/dbraw/zinc/44/76/00/572447600.db2.gz KSTBEQMFUDWLMI-BDAKNGLRSA-N 0 0 187.283 1.574 10 0 ADAERN C[C@@H]1CC[C@H](CCC(=O)[O-])[N@H+](C)CC1 76637843 572447613 /nfs/dbraw/zinc/44/76/13/572447613.db2.gz LAPFPSCTBOKUMZ-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](C)C[C@H](C)NC(=O)CC(C)=O 83866419 572447651 /nfs/dbraw/zinc/44/76/51/572447651.db2.gz DBZRYTXRCHZWOP-BDAKNGLRSA-N 0 0 199.294 1.906 10 0 ADAERN Nc1cc(Cc2cncs2)ns1 74239112 572447673 /nfs/dbraw/zinc/44/76/73/572447673.db2.gz USJKVFYIYLNVQS-UHFFFAOYSA-N 0 0 197.288 1.773 10 0 ADAERN CC(C)[N@H+](C)CC(=O)C1CC1 68894143 572447734 /nfs/dbraw/zinc/44/77/34/572447734.db2.gz NOOVBEQSTFCJQA-UHFFFAOYSA-N 0 0 155.241 1.306 10 0 ADAERN C[C@@H]([C@H](C)CC(=O)[O-])[NH+]1CCCCC1 74214748 572449402 /nfs/dbraw/zinc/44/94/02/572449402.db2.gz SETOBTCCANMFOZ-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)OCC(=O)C1CC1 68901434 572447757 /nfs/dbraw/zinc/44/77/57/572447757.db2.gz CADPCGBSUIELAA-UHFFFAOYSA-N 0 0 142.198 1.391 10 0 ADAERN CC[C@H](C)C[C@@H](C)NC(=O)CC(C)=O 83866417 572447761 /nfs/dbraw/zinc/44/77/61/572447761.db2.gz DBZRYTXRCHZWOP-DTWKUNHWSA-N 0 0 199.294 1.906 10 0 ADAERN CC[C@H](C)C[C@@H](C)[NH2+]CCC(=O)[O-] 83864705 572447795 /nfs/dbraw/zinc/44/77/95/572447795.db2.gz OAXSLXKZZHPUTA-DTWKUNHWSA-N 0 0 187.283 1.875 10 0 ADAERN CC[C@@H](C)C[C@@H](C)NC(=O)CC(C)=O 83866415 572447818 /nfs/dbraw/zinc/44/78/18/572447818.db2.gz DBZRYTXRCHZWOP-RKDXNWHRSA-N 0 0 199.294 1.906 10 0 ADAERN O=CN1CC=CC[C@@H]1c1cccnc1 32166470 572447837 /nfs/dbraw/zinc/44/78/37/572447837.db2.gz IIXFXMGADSMCLR-LLVKDONJSA-N 0 0 188.230 1.541 10 0 ADAERN CSCCn1cnc(C=O)c1 235046479 572447878 /nfs/dbraw/zinc/44/78/78/572447878.db2.gz QXGDHBJOLGULRB-UHFFFAOYSA-N 0 0 170.237 1.059 10 0 ADAERN C[C@H]1CC[N@H+](C)CC[C@@H]1CCC(=O)[O-] 76637841 572449411 /nfs/dbraw/zinc/44/94/11/572449411.db2.gz NCUUCYFUEBZRFQ-UWVGGRQHSA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@@H](C)C[C@@H](C)N1CCC(=O)C1=O 83865056 572449412 /nfs/dbraw/zinc/44/94/12/572449412.db2.gz RPXOJQWBDBOKCB-RKDXNWHRSA-N 0 0 197.278 1.613 10 0 ADAERN C[C@@H]1CC[N@H+](C)CC[C@@H]1CCC(=O)[O-] 76637839 572447969 /nfs/dbraw/zinc/44/79/69/572447969.db2.gz NCUUCYFUEBZRFQ-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN CCCOC[C@@H](C)NC(=O)OCC 238241313 572448007 /nfs/dbraw/zinc/44/80/07/572448007.db2.gz BAJSJXADHBNKAG-MRVPVSSYSA-N 0 0 189.255 1.548 10 0 ADAERN CC[C@@H](C)C[C@@H](C)N1CCNCC1=O 83866267 572449417 /nfs/dbraw/zinc/44/94/17/572449417.db2.gz CDSHCJOWJVAKOL-NXEZZACHSA-N 0 0 198.310 1.243 10 0 ADAERN CCCOC[C@@H](O)OC(C)(C)C 238242220 572448020 /nfs/dbraw/zinc/44/80/20/572448020.db2.gz JUPQSQXMDGHJAJ-QMMMGPOBSA-N 0 0 176.256 1.547 10 0 ADAERN CC[C@H](C)C[C@@H](C)[NH2+]CC(=O)[O-] 83864513 572448021 /nfs/dbraw/zinc/44/80/21/572448021.db2.gz QORGZNFNSWOHCD-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN CCCCC1=C[C@]1(CO)C(=O)OC 238241626 572448031 /nfs/dbraw/zinc/44/80/31/572448031.db2.gz SIROYJLIXIKNAU-SNVBAGLBSA-N 0 0 184.235 1.268 10 0 ADAERN CC(=O)Cc1cnc2n1CCC[C@@H]2C 107179782 572448050 /nfs/dbraw/zinc/44/80/50/572448050.db2.gz BMMDPHOHNFHEDP-QMMMGPOBSA-N 0 0 192.262 1.912 10 0 ADAERN CC[C@H](C)C[C@H](C)NC(=O)CC(C)=O 83866420 572448068 /nfs/dbraw/zinc/44/80/68/572448068.db2.gz DBZRYTXRCHZWOP-IUCAKERBSA-N 0 0 199.294 1.906 10 0 ADAERN CCCCCN(C)c1ncnc(N)n1 238241394 572448076 /nfs/dbraw/zinc/44/80/76/572448076.db2.gz YEDHVZMCYSCDAQ-UHFFFAOYSA-N 0 0 195.270 1.080 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1C(=O)C=CC1=O 83865159 572448081 /nfs/dbraw/zinc/44/80/81/572448081.db2.gz NVSRWPKYCMBAFS-DTWKUNHWSA-N 0 0 195.262 1.736 10 0 ADAERN CC(C)C[C@H](CC(=O)[O-])[C@@H]1CC[NH2+]C1 74214731 572448178 /nfs/dbraw/zinc/44/81/78/572448178.db2.gz VFNCDBCCZGCSEJ-NXEZZACHSA-N 0 0 199.294 1.733 10 0 ADAERN CCCOCNC(=O)OCC 238240785 572448190 /nfs/dbraw/zinc/44/81/90/572448190.db2.gz AMKJIOQSRYZBHM-UHFFFAOYSA-N 0 0 161.201 1.117 10 0 ADAERN CC[C@H](C)C[C@H](C)N1C(=O)C=CC1=O 83865161 572448203 /nfs/dbraw/zinc/44/82/03/572448203.db2.gz NVSRWPKYCMBAFS-IUCAKERBSA-N 0 0 195.262 1.736 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[C@H]1CC[N@H+](C)C1 74214722 572448238 /nfs/dbraw/zinc/44/82/38/572448238.db2.gz UDMISZFRFVBIQC-VHSXEESVSA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1CCC(=O)C1=O 83865057 572448240 /nfs/dbraw/zinc/44/82/40/572448240.db2.gz RPXOJQWBDBOKCB-DTWKUNHWSA-N 0 0 197.278 1.613 10 0 ADAERN O[C@H](CCC1CC1)c1nc[nH]n1 83936848 572451110 /nfs/dbraw/zinc/45/11/10/572451110.db2.gz OGYPEJYUHMGILT-SSDOTTSWSA-N 0 0 167.212 1.028 10 0 ADAERN CC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1CC(C)C 74214701 572448286 /nfs/dbraw/zinc/44/82/86/572448286.db2.gz FXGFREMRSIWUTN-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H]1[C@@H](C(=O)[O-])CCC[N@@H+]1C(C)C 74214704 572448301 /nfs/dbraw/zinc/44/83/01/572448301.db2.gz BTEDKVQTYNORGW-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)CC[C@@H]1CC[NH2+][C@H](C(=O)[O-])C1 74214735 572448311 /nfs/dbraw/zinc/44/83/11/572448311.db2.gz JESCCGVQRWVXFX-ZJUUUORDSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)C1(C)COC1 32167247 572448332 /nfs/dbraw/zinc/44/83/32/572448332.db2.gz DESPTAAIBOOLQX-UHFFFAOYSA-N 0 0 114.188 1.679 10 0 ADAERN CCCCC[C@H]1COC(=O)C1=O 238241998 572448347 /nfs/dbraw/zinc/44/83/47/572448347.db2.gz MVFILSSHANOHEF-ZETCQYMHSA-N 0 0 170.208 1.309 10 0 ADAERN CC[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H]1C(C)C 238241433 572448353 /nfs/dbraw/zinc/44/83/53/572448353.db2.gz WRCXXCDACAPIMP-ONGXEEELSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C)C[C@@H](C)NCC(=O)OC 83864497 572448361 /nfs/dbraw/zinc/44/83/61/572448361.db2.gz KSTBEQMFUDWLMI-DTWKUNHWSA-N 0 0 187.283 1.574 10 0 ADAERN O=C(COC[C@@H]1CCOC1)C1CC1 68902670 572448377 /nfs/dbraw/zinc/44/83/77/572448377.db2.gz SYFRGKMRYALSMU-MRVPVSSYSA-N 0 0 184.235 1.019 10 0 ADAERN C[C@H]1[C@@H](CCC(=O)[O-])CC[C@@H](C)[N@H+]1C 76637852 572448386 /nfs/dbraw/zinc/44/83/86/572448386.db2.gz OGXPPIMEVBEXRS-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H](C)C[C@H](C)NC(=S)NN 83865397 572448399 /nfs/dbraw/zinc/44/83/99/572448399.db2.gz QSCMWXMAOMQDQW-BQBZGAKWSA-N 0 0 189.328 1.149 10 0 ADAERN CC[C@H](C)C[C@@H](C)NC(=S)NN 83865395 572448403 /nfs/dbraw/zinc/44/84/03/572448403.db2.gz QSCMWXMAOMQDQW-NKWVEPMBSA-N 0 0 189.328 1.149 10 0 ADAERN COCC[C@H](O)CCC1CC1 83936357 572448413 /nfs/dbraw/zinc/44/84/13/572448413.db2.gz BXOXHLQYARHWHI-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1ccsc1C[C@H](C[NH3+])C(=O)[O-] 74214913 572448414 /nfs/dbraw/zinc/44/84/14/572448414.db2.gz LCHOOCIDOMUHMQ-SSDOTTSWSA-N 0 0 199.275 1.259 10 0 ADAERN O=[S@]1CCc2ccccc21 32299615 572448415 /nfs/dbraw/zinc/44/84/15/572448415.db2.gz SEVVNKCOTVRNNP-SNVBAGLBSA-N 0 0 152.218 1.350 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H](C)[NH+]1CCCCC1 74214745 572448445 /nfs/dbraw/zinc/44/84/45/572448445.db2.gz SETOBTCCANMFOZ-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN C=C/C=C/CCNCC(=O)OCC 713711040 572448447 /nfs/dbraw/zinc/44/84/47/572448447.db2.gz QPBVJIMHQSUQBY-AATRIKPKSA-N 0 0 183.251 1.271 10 0 ADAERN O[C@H](CCC1CC1)c1ncccn1 83936301 572448467 /nfs/dbraw/zinc/44/84/67/572448467.db2.gz YFFPGTGAGNBDCB-SECBINFHSA-N 0 0 178.235 1.700 10 0 ADAERN Cc1ccc(C[C@H](C[NH3+])C(=O)[O-])s1 74214915 572448476 /nfs/dbraw/zinc/44/84/76/572448476.db2.gz RTVKNRXXPMXXCM-SSDOTTSWSA-N 0 0 199.275 1.259 10 0 ADAERN CC[C@H](C)C[C@@](C)([NH3+])CC(=O)[O-] 117193884 572448480 /nfs/dbraw/zinc/44/84/80/572448480.db2.gz QOMLDYLGEQJULP-IONNQARKSA-N 0 0 173.256 1.615 10 0 ADAERN Cc1ccc(C[C@@H](C[NH3+])C(=O)[O-])s1 74214914 572448503 /nfs/dbraw/zinc/44/85/03/572448503.db2.gz RTVKNRXXPMXXCM-ZETCQYMHSA-N 0 0 199.275 1.259 10 0 ADAERN Cc1nc(=O)ccn1-c1ccccc1 32188783 572448522 /nfs/dbraw/zinc/44/85/22/572448522.db2.gz ADPCLEIEEHHYAQ-UHFFFAOYSA-N 0 0 186.214 1.541 10 0 ADAERN CC[N@@H+]1CC[C@H](CC(=O)[O-])[C@@H]1C1CC1 238242771 572448523 /nfs/dbraw/zinc/44/85/23/572448523.db2.gz AUAHCQXIRLSYTI-KOLCDFICSA-N 0 0 197.278 1.582 10 0 ADAERN CC[NH+](CC)[C@H]1CC[C@H](CC(=O)[O-])C1 74214781 572448549 /nfs/dbraw/zinc/44/85/49/572448549.db2.gz DPKKMAAATOYWAJ-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)S/C=C/CO 208925687 572448591 /nfs/dbraw/zinc/44/85/91/572448591.db2.gz WBZVOMITWJDABC-HWKANZROSA-N 0 0 132.228 1.634 10 0 ADAERN CC[NH+](CC)[C@H]1CCC[C@H]1CC(=O)[O-] 74214760 572448565 /nfs/dbraw/zinc/44/85/65/572448565.db2.gz FJPBTZVTWIUFCN-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN O[C@H](CCC1CC1)c1cnccn1 83936296 572448566 /nfs/dbraw/zinc/44/85/66/572448566.db2.gz PPJSBBMGCBOVQB-SNVBAGLBSA-N 0 0 178.235 1.700 10 0 ADAERN CC(C)CC[C@H]1CC[NH2+][C@H](C(=O)[O-])C1 74214737 572448660 /nfs/dbraw/zinc/44/86/60/572448660.db2.gz JESCCGVQRWVXFX-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H]([C@H](C)CC(=O)[O-])[NH+]1CCCC1 74214779 572448714 /nfs/dbraw/zinc/44/87/14/572448714.db2.gz ATJGMHFPZOBTBI-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1CCNCC1=O 83866269 572448722 /nfs/dbraw/zinc/44/87/22/572448722.db2.gz CDSHCJOWJVAKOL-VHSXEESVSA-N 0 0 198.310 1.243 10 0 ADAERN CC[NH+](CC)[C@@H]1CC[C@H](CC(=O)[O-])C1 74214780 572448728 /nfs/dbraw/zinc/44/87/28/572448728.db2.gz DPKKMAAATOYWAJ-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](C)C[C@@H](C)NC(=S)NN 83865394 572448732 /nfs/dbraw/zinc/44/87/32/572448732.db2.gz QSCMWXMAOMQDQW-RNFRBKRXSA-N 0 0 189.328 1.149 10 0 ADAERN Cc1ccsc1C[C@@H](C[NH3+])C(=O)[O-] 74214911 572448741 /nfs/dbraw/zinc/44/87/41/572448741.db2.gz LCHOOCIDOMUHMQ-ZETCQYMHSA-N 0 0 199.275 1.259 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[C@H]1CCC[NH2+]C1 74214728 572448753 /nfs/dbraw/zinc/44/87/53/572448753.db2.gz QQAZCBMZGQXOQZ-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN CC(C)(C)OC[C@@H](O)C1CC1 68911055 572450236 /nfs/dbraw/zinc/45/02/36/572450236.db2.gz IXBRDWGEGHTOKV-MRVPVSSYSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@@H](COC1CCC1)C1CC1 68911326 572450238 /nfs/dbraw/zinc/45/02/38/572450238.db2.gz AOGLIKFJWRTDJR-VIFPVBQESA-N 0 0 156.225 1.326 10 0 ADAERN CCCC[NH2+]C[P@@](=O)([O-])OCC 238242294 572450239 /nfs/dbraw/zinc/45/02/39/572450239.db2.gz HGBMVZBELCXFHF-UHFFFAOYSA-N 0 0 195.199 1.556 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H](C)[NH+]1CCCCC1 74214744 572448790 /nfs/dbraw/zinc/44/87/90/572448790.db2.gz SETOBTCCANMFOZ-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN Nc1nc([C@@H]2CCCCN2O)cs1 74214865 572448801 /nfs/dbraw/zinc/44/88/01/572448801.db2.gz OFGRGVJTVGYEKG-ZETCQYMHSA-N 0 0 199.279 1.642 10 0 ADAERN CCCCCN(CCO)N=O 238242749 572448808 /nfs/dbraw/zinc/44/88/08/572448808.db2.gz PNLZDFAVMYGAEC-UHFFFAOYSA-N 0 0 160.217 1.152 10 0 ADAERN CC(C)[C@@H](CCC(=O)[O-])[NH+]1CCCC1 74214766 572448829 /nfs/dbraw/zinc/44/88/29/572448829.db2.gz FOPYEISCMCTHRU-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CCCCC[C@H]1COC(=O)[C@H]1O 238242055 572448832 /nfs/dbraw/zinc/44/88/32/572448832.db2.gz ZXRKGWYKHSMWST-YUMQZZPRSA-N 0 0 172.224 1.101 10 0 ADAERN CC[C@@H]([C@@H](C)CC(=O)[O-])[NH+]1CCCC1 74214774 572448836 /nfs/dbraw/zinc/44/88/36/572448836.db2.gz ATJGMHFPZOBTBI-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C)C[C@H](C)N1C[C@H](O)CC1=O 83866152 572448886 /nfs/dbraw/zinc/44/88/86/572448886.db2.gz KJCAFIZRWFNOBI-LPEHRKFASA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)[C@H](CCC(=O)[O-])[NH+]1CCCC1 74214767 572448904 /nfs/dbraw/zinc/44/89/04/572448904.db2.gz FOPYEISCMCTHRU-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)CC[C@@H]1CC[NH2+][C@@H](C(=O)[O-])C1 74214738 572448937 /nfs/dbraw/zinc/44/89/37/572448937.db2.gz JESCCGVQRWVXFX-NXEZZACHSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1C[C@H](O)CC1=O 83866149 572449004 /nfs/dbraw/zinc/44/90/04/572449004.db2.gz KJCAFIZRWFNOBI-IVZWLZJFSA-N 0 0 199.294 1.404 10 0 ADAERN CC[NH+](CC)[C@@H]1CC[C@@H](CC(=O)[O-])C1 74214783 572449029 /nfs/dbraw/zinc/44/90/29/572449029.db2.gz DPKKMAAATOYWAJ-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[C@@H]1CC[N@H+](C)C1 74214720 572449062 /nfs/dbraw/zinc/44/90/62/572449062.db2.gz UDMISZFRFVBIQC-NXEZZACHSA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(C)C 74214702 572449105 /nfs/dbraw/zinc/44/91/05/572449105.db2.gz CJAGJPGAXNHFCE-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H](C)OCC(=O)C1CC1 68902329 572450281 /nfs/dbraw/zinc/45/02/81/572450281.db2.gz CEPQLEGUYGWSAW-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[C@@H]1CC[N@H+](C)C1 74214719 572449179 /nfs/dbraw/zinc/44/91/79/572449179.db2.gz UDMISZFRFVBIQC-ZJUUUORDSA-N 0 0 199.294 1.685 10 0 ADAERN O=c1ccccs1 32297150 572449268 /nfs/dbraw/zinc/44/92/68/572449268.db2.gz ICYJNBKAYPZIHE-UHFFFAOYSA-N 0 0 112.153 1.108 10 0 ADAERN CCCCC[C@H]1C[C@H](CO)OC1=O 238242708 572449270 /nfs/dbraw/zinc/44/92/70/572449270.db2.gz PXTHRIWOTAUQRS-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN CCCC[C@H]1CC1(CO)CO 238242308 572450287 /nfs/dbraw/zinc/45/02/87/572450287.db2.gz RUFSPWJTVFJGAM-QMMMGPOBSA-N 0 0 158.241 1.168 10 0 ADAERN CC(=O)Cc1cnc2n1[C@@H](C)CCC2 107179774 572449308 /nfs/dbraw/zinc/44/93/08/572449308.db2.gz RTLSZCQSDIXOLZ-QMMMGPOBSA-N 0 0 192.262 1.912 10 0 ADAERN O=C(CN1CCCCCC1=O)C1CC1 68898534 572449328 /nfs/dbraw/zinc/44/93/28/572449328.db2.gz GPLYPOFHVPPFID-UHFFFAOYSA-N 0 0 195.262 1.368 10 0 ADAERN CC(C)(C)C[C@H]1[NH2+]CC[C@@H]1CC(=O)[O-] 74214698 572449346 /nfs/dbraw/zinc/44/93/46/572449346.db2.gz WGHVGUGDGGPLCX-RKDXNWHRSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@@H]([C@H](C)CC(=O)[O-])[NH+]1CCCC1 74214777 572449356 /nfs/dbraw/zinc/44/93/56/572449356.db2.gz ATJGMHFPZOBTBI-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](C)C[C@@H](C)NCC(=O)OC 83864496 572449373 /nfs/dbraw/zinc/44/93/73/572449373.db2.gz KSTBEQMFUDWLMI-RKDXNWHRSA-N 0 0 187.283 1.574 10 0 ADAERN CCCCC[C@H]1C[C@H](N)C(=O)O1 238242741 572449375 /nfs/dbraw/zinc/44/93/75/572449375.db2.gz NNNITRMJIUTFCE-YUMQZZPRSA-N 0 0 171.240 1.210 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[C@@H]1CCC[NH2+]C1 74214724 572449382 /nfs/dbraw/zinc/44/93/82/572449382.db2.gz QQAZCBMZGQXOQZ-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN CC(C)(C)OC[C@H](O)C1CC1 68911052 572449442 /nfs/dbraw/zinc/44/94/42/572449442.db2.gz IXBRDWGEGHTOKV-QMMMGPOBSA-N 0 0 158.241 1.572 10 0 ADAERN CCS/C=C/CO 208925617 572449443 /nfs/dbraw/zinc/44/94/43/572449443.db2.gz YUDXYHZEDWWIBO-HWKANZROSA-N 0 0 118.201 1.246 10 0 ADAERN CCOCC(=O)C1CC1 68901613 572449448 /nfs/dbraw/zinc/44/94/48/572449448.db2.gz NWPKUYDSRPSIJE-UHFFFAOYSA-N 0 0 128.171 1.002 10 0 ADAERN CC(C)CC[C@H]1CC[NH2+][C@@H](C(=O)[O-])C1 74214740 572449453 /nfs/dbraw/zinc/44/94/53/572449453.db2.gz JESCCGVQRWVXFX-VHSXEESVSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@@H](C)C[C@H](C)NC(=S)NN 83865396 572449479 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ZQKLRKCLTYUOHK-HLTSFMKQSA-N 0 0 174.240 1.156 10 0 ADAERN COCCC[C@@H](O)CCC1CC1 83936715 572451282 /nfs/dbraw/zinc/45/12/82/572451282.db2.gz OWQCCRNXVWNISC-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CCc1cc(=O)[nH]c(NCC(C)C)n1 71418501 572451362 /nfs/dbraw/zinc/45/13/62/572451362.db2.gz HBLOVOUTXYLMQL-UHFFFAOYSA-N 0 0 195.266 1.400 10 0 ADAERN CCCOC[C@H](O)CCC1CC1 83936436 572451225 /nfs/dbraw/zinc/45/12/25/572451225.db2.gz UKCVFXVXWDYAEA-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cn(Cc2ncon2)c(C)c1C 68944324 572451387 /nfs/dbraw/zinc/45/13/87/572451387.db2.gz WNHHNVPQVIJDTA-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN CCC[C@@H](C)CC[C@](C)(O)C(N)=O 238247305 572451410 /nfs/dbraw/zinc/45/14/10/572451410.db2.gz ZXTJAPXBFVRZNH-SCZZXKLOSA-N 0 0 187.283 1.439 10 0 ADAERN CC[C@@H](C)C(=O)N(C)CCSC 308031791 572451451 /nfs/dbraw/zinc/45/14/51/572451451.db2.gz JDYYFAMSIVQTKV-MRVPVSSYSA-N 0 0 189.324 1.854 10 0 ADAERN O[C@H](CCC1CC1)[C@@H]1CCCO1 83936799 572451480 /nfs/dbraw/zinc/45/14/80/572451480.db2.gz LJTMQHZNBCHPDY-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN O[C@H](CCC1CC1)[C@H]1CCCO1 83936789 572451488 /nfs/dbraw/zinc/45/14/88/572451488.db2.gz LJTMQHZNBCHPDY-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1cc(C2N=NC(=S)O2)on1 44586583 572451493 /nfs/dbraw/zinc/45/14/93/572451493.db2.gz BPPJDDFHDPOZDE-UHFFFAOYSA-N 0 0 183.192 1.322 10 0 ADAERN CCCO[C@H]1C=CC[C@H](CO)O1 238247959 572451560 /nfs/dbraw/zinc/45/15/60/572451560.db2.gz MQIVCUQAURETOB-RKDXNWHRSA-N 0 0 172.224 1.077 10 0 ADAERN CCCCCC(=O)CNC(C)=O 238247935 572451636 /nfs/dbraw/zinc/45/16/36/572451636.db2.gz ZVBQCFROFPLHLO-UHFFFAOYSA-N 0 0 171.240 1.272 10 0 ADAERN CCC[C@@H](C)CC(=O)NC(N)=O 238246873 572451643 /nfs/dbraw/zinc/45/16/43/572451643.db2.gz PEHJELYYWALGOH-ZCFIWIBFSA-N 0 0 172.228 1.008 10 0 ADAERN CC(=O)c1cnn(CCC2CC2)c1 83940023 572451669 /nfs/dbraw/zinc/45/16/69/572451669.db2.gz MIAGLRYFRQHRCO-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN CCCNC(=S)NC(=O)OCC 238247186 572451688 /nfs/dbraw/zinc/45/16/88/572451688.db2.gz SPEYSRIYPBAREQ-UHFFFAOYSA-N 0 0 190.268 1.017 10 0 ADAERN C/C=C/CN(C)Cc1ccon1 308032452 572451746 /nfs/dbraw/zinc/45/17/46/572451746.db2.gz JHMYZCPYIIJBIJ-ONEGZZNKSA-N 0 0 166.224 1.683 10 0 ADAERN CC(C)c1nc(-c2ccon2)n[nH]1 44586747 572451771 /nfs/dbraw/zinc/45/17/71/572451771.db2.gz QFCHXKNLYWUBOO-UHFFFAOYSA-N 0 0 178.195 1.583 10 0 ADAERN CCC/C=C/C(=O)N[C@H](C)CF 308027655 572451773 /nfs/dbraw/zinc/45/17/73/572451773.db2.gz HVGKHUCSAWMGQT-HQZHTGGTSA-N 0 0 173.231 1.817 10 0 ADAERN CC[NH2+]Cc1cc(C(=O)[O-])cs1 87414707 572451780 /nfs/dbraw/zinc/45/17/80/572451780.db2.gz GMLVDJLSKGMGKS-UHFFFAOYSA-N 0 0 185.248 1.556 10 0 ADAERN CCCCC[C@]1(C)CNC(=O)N1 238245496 572451834 /nfs/dbraw/zinc/45/18/34/572451834.db2.gz PZBAUUCBEGAKGC-SECBINFHSA-N 0 0 170.256 1.638 10 0 ADAERN CCc1nc(-c2cc(C)no2)n[nH]1 44586738 572451814 /nfs/dbraw/zinc/45/18/14/572451814.db2.gz CGIHCOBEPIXWTL-UHFFFAOYSA-N 0 0 178.195 1.331 10 0 ADAERN CCCCCNC(=O)[C@H](O)CC 238246918 572451826 /nfs/dbraw/zinc/45/18/26/572451826.db2.gz CTXXWDAKWPVFCF-MRVPVSSYSA-N 0 0 173.256 1.064 10 0 ADAERN CCSC/C(C)=C\CO 210745134 572451829 /nfs/dbraw/zinc/45/18/29/572451829.db2.gz SDJLLEHDNPVZLV-DAXSKMNVSA-N 0 0 146.255 1.678 10 0 ADAERN CCCC[C@H]1NC(=O)O[C@@H]1C(C)=O 238246906 572451868 /nfs/dbraw/zinc/45/18/68/572451868.db2.gz FKDOTYOYGKMZQF-HTQZYQBOSA-N 0 0 185.223 1.243 10 0 ADAERN CCCCCc1c(N)n(C)[nH]c1=O 238246770 572451909 /nfs/dbraw/zinc/45/19/09/572451909.db2.gz BTSGAFITINGXMC-UHFFFAOYSA-N 0 0 183.255 1.028 10 0 ADAERN CCO[C@@H](C)[C@@H](O)CCC1CC1 83936666 572451993 /nfs/dbraw/zinc/45/19/93/572451993.db2.gz PXRNNVVNLFHWEZ-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CCOC(=O)C[C@@H](O)C1(C)CC1 238246648 572451995 /nfs/dbraw/zinc/45/19/95/572451995.db2.gz FORVLIQWZXUYLC-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN CCCCSCCNC(N)=O 238246638 572452017 /nfs/dbraw/zinc/45/20/17/572452017.db2.gz SGUNRPDROLJXBI-UHFFFAOYSA-N 0 0 176.285 1.188 10 0 ADAERN CCNC(=O)Cn1cc(C)c(C)c1C 68944450 572452018 /nfs/dbraw/zinc/45/20/18/572452018.db2.gz QAFPXGMIVRAVCP-UHFFFAOYSA-N 0 0 194.278 1.549 10 0 ADAERN CCC/C=C\C(=O)N[C@H](C)CF 308027656 572452075 /nfs/dbraw/zinc/45/20/75/572452075.db2.gz HVGKHUCSAWMGQT-RPSMYOMKSA-N 0 0 173.231 1.817 10 0 ADAERN O=C1CCN(C/C=C\Cl)CC1 210744912 572452121 /nfs/dbraw/zinc/45/21/21/572452121.db2.gz CADDRFKGGJRCPJ-RJRFIUFISA-N 0 0 173.643 1.404 10 0 ADAERN CCCC[C@@H]1C=C(CO)C(=O)O1 238248061 572452125 /nfs/dbraw/zinc/45/21/25/572452125.db2.gz YVSIWZVDZGUASL-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN CCCC(=O)OC[C@H](C)COC 308031543 572452130 /nfs/dbraw/zinc/45/21/30/572452130.db2.gz JBFWKHDBUQXECP-MRVPVSSYSA-N 0 0 174.240 1.612 10 0 ADAERN CCCCCNC(=O)OC[C@@H](C)O 238244935 572452151 /nfs/dbraw/zinc/45/21/51/572452151.db2.gz KPUQUDNFTTVQKI-MRVPVSSYSA-N 0 0 189.255 1.284 10 0 ADAERN CCCCCNC(=O)[C@H](O)CCC 238246929 572452163 /nfs/dbraw/zinc/45/21/63/572452163.db2.gz RUXRTGBRJBNENN-SECBINFHSA-N 0 0 187.283 1.454 10 0 ADAERN CCCC[S@](=O)/C=C/C(=O)OC 90416779 572452169 /nfs/dbraw/zinc/45/21/69/572452169.db2.gz GOZWKBUTJXXFDI-HOSRBBHYSA-N 0 0 190.264 1.222 10 0 ADAERN CCCCC[C@](C)(O)[C@H](C)O 238245115 572452181 /nfs/dbraw/zinc/45/21/81/572452181.db2.gz ZPGRVWUXSQESKK-IUCAKERBSA-N 0 0 160.257 1.699 10 0 ADAERN C[C@H](O)c1cnn(CCC2CC2)c1 83940145 572452202 /nfs/dbraw/zinc/45/22/02/572452202.db2.gz PQBHTXTVGZRFHB-QMMMGPOBSA-N 0 0 180.251 1.737 10 0 ADAERN Cc1cc(-c2n[nH]c(C)n2)on1 44586732 572452204 /nfs/dbraw/zinc/45/22/04/572452204.db2.gz LVZGVHOWFZTIRL-UHFFFAOYSA-N 0 0 164.168 1.077 10 0 ADAERN CCCC(O)=CC(=O)[C@H](C)OC 90416005 572452224 /nfs/dbraw/zinc/45/22/24/572452224.db2.gz NZUAYWHFUAUCPB-ZETCQYMHSA-N 0 0 172.224 1.350 10 0 ADAERN CCCNC1=C(C(=O)OC)CCCC1 238248187 572452226 /nfs/dbraw/zinc/45/22/26/572452226.db2.gz RFVITSGCDFAZCF-UHFFFAOYSA-N 0 0 197.278 1.987 10 0 ADAERN Nc1c(Cl)noc1-c1ccncn1 74240762 572452239 /nfs/dbraw/zinc/45/22/39/572452239.db2.gz CUZUQKQMIPUWEO-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN C[N@@H+]1CCC[C@H]1[C@@H](C(=O)[O-])C1CCC1 250554345 572452245 /nfs/dbraw/zinc/45/22/45/572452245.db2.gz AUWOAFTYVOSANJ-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CCN(CC)[C@@H](C[NH3+])c1c[nH]c(C)n1 74241136 572452248 /nfs/dbraw/zinc/45/22/48/572452248.db2.gz PESAXRHFFJAHTQ-JTQLQIEISA-N 0 0 196.298 1.060 10 0 ADAERN O=Cc1cnn(CCC2CC2)c1 83940028 572452251 /nfs/dbraw/zinc/45/22/51/572452251.db2.gz HHTKJHMYXFRUJU-UHFFFAOYSA-N 0 0 164.208 1.496 10 0 ADAERN C/C=C/C[C@H](O)CC(=O)OCC 238246876 572452281 /nfs/dbraw/zinc/45/22/81/572452281.db2.gz LAPBBAQGVJHFFX-WGAJWPLOSA-N 0 0 172.224 1.267 10 0 ADAERN CCNc1[nH]c(C)cc1C(=O)OCC 238248408 572452292 /nfs/dbraw/zinc/45/22/92/572452292.db2.gz BDCRTWMYLCEYFY-UHFFFAOYSA-N 0 0 196.250 1.932 10 0 ADAERN Cn1ncc([C@@H](O)CCC2CC2)c1N 83936875 572453568 /nfs/dbraw/zinc/45/35/68/572453568.db2.gz VUHNSFGWTJOEOL-VIFPVBQESA-N 0 0 195.266 1.226 10 0 ADAERN c1cnc2[nH]c(-c3ccon3)nc2c1 44586841 572452386 /nfs/dbraw/zinc/45/23/86/572452386.db2.gz AWIRHNZKRXMJPI-UHFFFAOYSA-N 0 0 186.174 1.613 10 0 ADAERN S=C1N=NC(c2ccon2)O1 44586586 572452414 /nfs/dbraw/zinc/45/24/14/572452414.db2.gz BZGPFGNUBLDGFM-UHFFFAOYSA-N 0 0 169.165 1.013 10 0 ADAERN CCC[C@H](C)C(CC)(CO)CO 238246683 572452450 /nfs/dbraw/zinc/45/24/50/572452450.db2.gz PHXOJYXTWVSHLQ-VIFPVBQESA-N 0 0 174.284 1.804 10 0 ADAERN CCCC[C@H]1NC(=O)[C@H]1C(C)C 238247090 572452477 /nfs/dbraw/zinc/45/24/77/572452477.db2.gz HSUWTCDMFUUFTC-BDAKNGLRSA-N 0 0 169.268 1.947 10 0 ADAERN CCC[C@H](O)c1cn(CC)cn1 308031138 572452478 /nfs/dbraw/zinc/45/24/78/572452478.db2.gz ZXSIEOYUXILKOS-VIFPVBQESA-N 0 0 168.240 1.737 10 0 ADAERN CCC/C=C\C(=O)N[C@@H](C)CF 308027657 572452487 /nfs/dbraw/zinc/45/24/87/572452487.db2.gz HVGKHUCSAWMGQT-SLGIHZDVSA-N 0 0 173.231 1.817 10 0 ADAERN CC(C)CC[C@H](C)NC(N)=S 68944964 572452490 /nfs/dbraw/zinc/45/24/90/572452490.db2.gz HRSYGSDVQXWTOD-ZETCQYMHSA-N 0 0 174.313 1.644 10 0 ADAERN CCO[C@@H](C)[C@H](O)CCC1CC1 83936659 572452503 /nfs/dbraw/zinc/45/25/03/572452503.db2.gz PXRNNVVNLFHWEZ-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CCC(=O)c1ccnc(OC)c1CO 238246660 572452536 /nfs/dbraw/zinc/45/25/36/572452536.db2.gz AEENMXJBHGCTMZ-UHFFFAOYSA-N 0 0 195.218 1.175 10 0 ADAERN CCCC[C@H]1OC(=O)NC(=O)[C@@H]1CC 238248233 572452594 /nfs/dbraw/zinc/45/25/94/572452594.db2.gz ROOGIXAFUOTNIU-HTQZYQBOSA-N 0 0 199.250 1.838 10 0 ADAERN O[C@@H](CCC1CC1)[C@@H]1CCOC1 83936807 572452618 /nfs/dbraw/zinc/45/26/18/572452618.db2.gz RQPFZXAGINNASJ-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN CCC[C@H](C(N)=O)c1ncccc1O 238244960 572452652 /nfs/dbraw/zinc/45/26/52/572452652.db2.gz CYSXNHIEFDJUJN-ZETCQYMHSA-N 0 0 194.234 1.156 10 0 ADAERN CCCCCNC(=O)OC[C@H](C)O 238244949 572452663 /nfs/dbraw/zinc/45/26/63/572452663.db2.gz KPUQUDNFTTVQKI-QMMMGPOBSA-N 0 0 189.255 1.284 10 0 ADAERN O[C@H](CCC1CC1)c1ccncn1 83936638 572452671 /nfs/dbraw/zinc/45/26/71/572452671.db2.gz CYKMKBYKWICMSA-SNVBAGLBSA-N 0 0 178.235 1.700 10 0 ADAERN CCSCC[NH2+]C[C@@H](C)C(=O)[O-] 308027646 572452672 /nfs/dbraw/zinc/45/26/72/572452672.db2.gz HUXMQPJCUIMZSG-SSDOTTSWSA-N 0 0 191.296 1.050 10 0 ADAERN C[NH2+][C@@H](CCC1CC1)c1nnc[nH]1 83939231 572452699 /nfs/dbraw/zinc/45/26/99/572452699.db2.gz PYAJLHHAMQPPKY-QMMMGPOBSA-N 0 0 180.255 1.255 10 0 ADAERN CCCC[C@H]1N[C@@H](C(C)C)COC1=O 238247816 572452700 /nfs/dbraw/zinc/45/27/00/572452700.db2.gz BIHYVZPCYYHGPI-NXEZZACHSA-N 0 0 199.294 1.716 10 0 ADAERN O=C(NCCC1CC1)n1ccnc1 83912056 572455822 /nfs/dbraw/zinc/45/58/22/572455822.db2.gz ULMXFELLXGGQID-UHFFFAOYSA-N 0 0 179.223 1.241 10 0 ADAERN CCC[C@H](C(N)=O)C1(O)CCCCC1 238244883 572452723 /nfs/dbraw/zinc/45/27/23/572452723.db2.gz IGVVSDZHLDBPFN-SECBINFHSA-N 0 0 199.294 1.583 10 0 ADAERN CCCNC1=C(C(=O)OCC)CCC1 238248198 572452734 /nfs/dbraw/zinc/45/27/34/572452734.db2.gz QZEBYGOOYLCSGS-UHFFFAOYSA-N 0 0 197.278 1.987 10 0 ADAERN O[C@@H](CCC1CC1)[C@H]1CCCO1 83936800 572452761 /nfs/dbraw/zinc/45/27/61/572452761.db2.gz LJTMQHZNBCHPDY-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN CCCC(O)=CC(=O)[C@@H](C)OC 90416004 572452773 /nfs/dbraw/zinc/45/27/73/572452773.db2.gz NZUAYWHFUAUCPB-SSDOTTSWSA-N 0 0 172.224 1.350 10 0 ADAERN C[C@@H](O)c1cnn(CCC2CC2)c1 83940148 572452793 /nfs/dbraw/zinc/45/27/93/572452793.db2.gz PQBHTXTVGZRFHB-MRVPVSSYSA-N 0 0 180.251 1.737 10 0 ADAERN CCCCCC(=O)C[C@@H]1CC(=O)N1 238248079 572452863 /nfs/dbraw/zinc/45/28/63/572452863.db2.gz PBEPWMREZDOBEB-MRVPVSSYSA-N 0 0 183.251 1.414 10 0 ADAERN CCOC(=O)C1=CCC[C@@H]1CCO 238247871 572454247 /nfs/dbraw/zinc/45/42/47/572454247.db2.gz JOAAPTDSNHLMIB-MRVPVSSYSA-N 0 0 184.235 1.268 10 0 ADAERN CCC[C@@H](NC(C)=O)C(=O)CC 238247664 572452910 /nfs/dbraw/zinc/45/29/10/572452910.db2.gz UGSWEUFYDASPQN-MRVPVSSYSA-N 0 0 171.240 1.270 10 0 ADAERN O[C@H](CCC1CC1)[C@@H]1CCCOC1 83936829 572452913 /nfs/dbraw/zinc/45/29/13/572452913.db2.gz HRRBENWXMUODFR-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CCC[C@H](C)CC(=O)NC(N)=O 238246945 572452915 /nfs/dbraw/zinc/45/29/15/572452915.db2.gz PEHJELYYWALGOH-LURJTMIESA-N 0 0 172.228 1.008 10 0 ADAERN CCOC(=O)C1=CC[C@](C)(CO)CC1 238248283 572452930 /nfs/dbraw/zinc/45/29/30/572452930.db2.gz HWCYPMWHKNQJDC-NSHDSACASA-N 0 0 198.262 1.658 10 0 ADAERN CCc1nc(-c2ccon2)n[nH]1 44586741 572452966 /nfs/dbraw/zinc/45/29/66/572452966.db2.gz VROKEWQUSORBQH-UHFFFAOYSA-N 0 0 164.168 1.022 10 0 ADAERN O[C@@H](CCC1CC1)C1CCOCC1 83936819 572452985 /nfs/dbraw/zinc/45/29/85/572452985.db2.gz NLEYLINQJNYBEI-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN O[C@@H](CCC1CC1)[C@@H]1CCCOC1 83936833 572452990 /nfs/dbraw/zinc/45/29/90/572452990.db2.gz HRRBENWXMUODFR-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN COCCC[C@H](O)CCC1CC1 83936713 572453172 /nfs/dbraw/zinc/45/31/72/572453172.db2.gz OWQCCRNXVWNISC-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CCCCN[C@@H]1NC(=O)C=CS1 238245123 572453002 /nfs/dbraw/zinc/45/30/02/572453002.db2.gz FTELXJNRTWHARM-MRVPVSSYSA-N 0 0 186.280 1.036 10 0 ADAERN CC/C=C(\C)[C@H](O)CC(=O)OCC 238246632 572453023 /nfs/dbraw/zinc/45/30/23/572453023.db2.gz JUPGAYAPHBPQCL-BNICOGTQSA-N 0 0 186.251 1.657 10 0 ADAERN CCCC[C@H]1NC(=O)O[C@H]1C(C)=O 238246954 572453051 /nfs/dbraw/zinc/45/30/51/572453051.db2.gz FKDOTYOYGKMZQF-SFYZADRCSA-N 0 0 185.223 1.243 10 0 ADAERN CCCC(C)(C)OC(=O)NC(N)=O 238248298 572454521 /nfs/dbraw/zinc/45/45/21/572454521.db2.gz XZPBDSRFFBZMOL-UHFFFAOYSA-N 0 0 188.227 1.370 10 0 ADAERN CCCC[C@H]1OC(=O)NC(=O)[C@H]1CC 238248242 572453082 /nfs/dbraw/zinc/45/30/82/572453082.db2.gz ROOGIXAFUOTNIU-JGVFFNPUSA-N 0 0 199.250 1.838 10 0 ADAERN CCCCS[C@@H](CO)C(C)=O 238248008 572453109 /nfs/dbraw/zinc/45/31/09/572453109.db2.gz HCHADJQKDBIHHI-QMMMGPOBSA-N 0 0 176.281 1.470 10 0 ADAERN Cc1cn(CC(=O)N(C)C)c(C)c1C 68944451 572453112 /nfs/dbraw/zinc/45/31/12/572453112.db2.gz BDOBSBFGGKBVSE-UHFFFAOYSA-N 0 0 194.278 1.502 10 0 ADAERN CCO[C@@H]1C[C@@H](C)[C@H](CCO)O1 308030977 572453127 /nfs/dbraw/zinc/45/31/27/572453127.db2.gz ZQKLRKCLTYUOHK-VGMNWLOBSA-N 0 0 174.240 1.156 10 0 ADAERN C/C=C/C[C@H](C)[C@H](O)[C@H](C)CO 308031118 572453138 /nfs/dbraw/zinc/45/31/38/572453138.db2.gz ZXAIKPDJMYGAIP-VEHGWODASA-N 0 0 172.268 1.578 10 0 ADAERN CCNC(=O)OCc1cccc(C)n1 238245040 572453179 /nfs/dbraw/zinc/45/31/79/572453179.db2.gz DCFAQAWFHAFUFH-UHFFFAOYSA-N 0 0 194.234 1.636 10 0 ADAERN CCCO[C@@H]1C[C@@H]1C(=O)NC(C)(C)C 238247700 572453220 /nfs/dbraw/zinc/45/32/20/572453220.db2.gz IDQKWBOASAODLB-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN O[C@@H](CCC1CC1)[C@H]1CCOC1 83936813 572453226 /nfs/dbraw/zinc/45/32/26/572453226.db2.gz RQPFZXAGINNASJ-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN OCc1cnn(CCC2CC2)c1 83940142 572453251 /nfs/dbraw/zinc/45/32/51/572453251.db2.gz YHEHJQFVYVJSQV-UHFFFAOYSA-N 0 0 166.224 1.176 10 0 ADAERN CC1=CC[C@](O)(CCCCO)C1 238245071 572453274 /nfs/dbraw/zinc/45/32/74/572453274.db2.gz SULALLJPGXLYSG-SNVBAGLBSA-N 0 0 170.252 1.620 10 0 ADAERN N[C@H](CC1CC1)C(=O)c1cncs1 74241455 572453324 /nfs/dbraw/zinc/45/33/24/572453324.db2.gz QUGLPTLMTDUKCV-SSDOTTSWSA-N 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/nfs/dbraw/zinc/45/46/22/572454622.db2.gz CBQNEGMIPOXWCD-IUCAKERBSA-N 0 0 174.240 1.301 10 0 ADAERN CCCO[C@@H](C)C(CC)(CO)CO 238245144 572454651 /nfs/dbraw/zinc/45/46/51/572454651.db2.gz VRSCUJKMZDNPRB-VIFPVBQESA-N 0 0 190.283 1.183 10 0 ADAERN CCCC[C@H]1NC(=O)[C@@H]1C(C)C 238247018 572454692 /nfs/dbraw/zinc/45/46/92/572454692.db2.gz HSUWTCDMFUUFTC-RKDXNWHRSA-N 0 0 169.268 1.947 10 0 ADAERN CCO[C@@H]1C[C@H](C)[C@H](CCO)O1 308030971 572454694 /nfs/dbraw/zinc/45/46/94/572454694.db2.gz ZQKLRKCLTYUOHK-CIUDSAMLSA-N 0 0 174.240 1.156 10 0 ADAERN Nc1cc2nc(C=O)oc2cc1Cl 74240764 572454696 /nfs/dbraw/zinc/45/46/96/572454696.db2.gz BATDRMVVDNPVLU-UHFFFAOYSA-N 0 0 196.593 1.876 10 0 ADAERN CCCC[C@@H]1NC(=O)[C@@H](C(C)C)N1 238247964 572454733 /nfs/dbraw/zinc/45/47/33/572454733.db2.gz WREDCFODLKUZGM-DTWKUNHWSA-N 0 0 184.283 1.247 10 0 ADAERN Cc1cc(=O)c(N)c(C)n1C(C)C 33464375 572454734 /nfs/dbraw/zinc/45/47/34/572454734.db2.gz ANSFHUBFKMQVEH-UHFFFAOYSA-N 0 0 180.251 1.628 10 0 ADAERN CCCCC[C@](C)(CO)OC 238244901 572454782 /nfs/dbraw/zinc/45/47/82/572454782.db2.gz BMZWERMQPMBMPU-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CCCCCNC(=O)O[C@H](C)CO 238245030 572454792 /nfs/dbraw/zinc/45/47/92/572454792.db2.gz DYZYCKROZUQVCJ-MRVPVSSYSA-N 0 0 189.255 1.284 10 0 ADAERN CCCO[C@@H]1CCC[C@H](CO)O1 238247470 572454836 /nfs/dbraw/zinc/45/48/36/572454836.db2.gz CBQNEGMIPOXWCD-BDAKNGLRSA-N 0 0 174.240 1.301 10 0 ADAERN CCC[C@@H](C)CC[C@@](C)(O)C(N)=O 238247250 572454813 /nfs/dbraw/zinc/45/48/13/572454813.db2.gz ZXTJAPXBFVRZNH-PSASIEDQSA-N 0 0 187.283 1.439 10 0 ADAERN Cc1cn(CCCO)c(C)c1C 68944380 572454843 /nfs/dbraw/zinc/45/48/43/572454843.db2.gz JPTFEMNGASOEHR-UHFFFAOYSA-N 0 0 167.252 1.796 10 0 ADAERN CC(=O)CSCC(=O)OC(C)C 308027627 572454931 /nfs/dbraw/zinc/45/49/31/572454931.db2.gz HTPBCFMKYADEEV-UHFFFAOYSA-N 0 0 190.264 1.260 10 0 ADAERN C[N@@H+]1CCc2sccc2[C@@H]1C(=O)[O-] 44592197 572454861 /nfs/dbraw/zinc/45/48/61/572454861.db2.gz FLPVKKWAVNZHPA-MRVPVSSYSA-N 0 0 197.259 1.362 10 0 ADAERN N[C@H](c1ncco1)[C@H](O)C1CCCC1 74241825 572454982 /nfs/dbraw/zinc/45/49/82/572454982.db2.gz BORIFTIQLDINIZ-DTWKUNHWSA-N 0 0 196.250 1.226 10 0 ADAERN CC[C@H](C)C(=O)N(C)CCSC 308031799 572454999 /nfs/dbraw/zinc/45/49/99/572454999.db2.gz JDYYFAMSIVQTKV-QMMMGPOBSA-N 0 0 189.324 1.854 10 0 ADAERN CCC[C@@H](O)c1cn(CC)cn1 308031136 572455045 /nfs/dbraw/zinc/45/50/45/572455045.db2.gz ZXSIEOYUXILKOS-SECBINFHSA-N 0 0 168.240 1.737 10 0 ADAERN Cc1ncoc1C(=O)[C@@H](N)CC(C)C 74242098 572455047 /nfs/dbraw/zinc/45/50/47/572455047.db2.gz UHOPDOHREFVXLG-QMMMGPOBSA-N 0 0 196.250 1.539 10 0 ADAERN CCN(CC)c1cc([C@@H](C)O)ccn1 87414361 572455085 /nfs/dbraw/zinc/45/50/85/572455085.db2.gz JBRACZAEUYEXIV-SECBINFHSA-N 0 0 194.278 1.981 10 0 ADAERN CC(C)CC[C@H](C)NC#N 68944778 572455104 /nfs/dbraw/zinc/45/51/04/572455104.db2.gz NJHJEOYJRXKRNB-QMMMGPOBSA-N 0 0 140.230 1.882 10 0 ADAERN C/C=C\C[C@H](C)[C@H](O)[C@@H](C)CO 308031117 572455109 /nfs/dbraw/zinc/45/51/09/572455109.db2.gz ZXAIKPDJMYGAIP-KXEGTFGRSA-N 0 0 172.268 1.578 10 0 ADAERN Cc1cc(C(=O)[C@@H](N)CC(C)C)no1 74242105 572455140 /nfs/dbraw/zinc/45/51/40/572455140.db2.gz HTECHQMBYFYGOW-QMMMGPOBSA-N 0 0 196.250 1.539 10 0 ADAERN CCC[C@H](N)C(=O)c1oc(C)nc1C 74241952 572455281 /nfs/dbraw/zinc/45/52/81/572455281.db2.gz MJUWOGWBURPWRY-QMMMGPOBSA-N 0 0 196.250 1.602 10 0 ADAERN CCCCS[C@@](C)(CO)C(C)=O 238248416 572455283 /nfs/dbraw/zinc/45/52/83/572455283.db2.gz KPMNABAMDUSXBG-VIFPVBQESA-N 0 0 190.308 1.860 10 0 ADAERN CCC[C@@H]([NH2+]C)[P@@](=O)([O-])OCC 238248428 572455309 /nfs/dbraw/zinc/45/53/09/572455309.db2.gz AQJVSVKDVWJNMS-ZETCQYMHSA-N 0 0 195.199 1.554 10 0 ADAERN Nc1cc2nc(C=O)sc2cc1F 74242787 572455315 /nfs/dbraw/zinc/45/53/15/572455315.db2.gz XQORAQQEHSXJBG-UHFFFAOYSA-N 0 0 196.206 1.830 10 0 ADAERN Cc1nc(-c2nsc(N)n2)oc1C 74242200 572455337 /nfs/dbraw/zinc/45/53/37/572455337.db2.gz SCYWNHOOZZBNPZ-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN Nc1c(Cc2cccs2)o[nH]c1=O 74242289 572455361 /nfs/dbraw/zinc/45/53/61/572455361.db2.gz GBPHUCFPSNYFAY-UHFFFAOYSA-N 0 0 196.231 1.615 10 0 ADAERN Cc1ncoc1C(=O)[C@H](N)CC(C)C 74242096 572455456 /nfs/dbraw/zinc/45/54/56/572455456.db2.gz UHOPDOHREFVXLG-MRVPVSSYSA-N 0 0 196.250 1.539 10 0 ADAERN Cc1nc(C)c(-c2nc(N)ns2)o1 74242198 572455509 /nfs/dbraw/zinc/45/55/09/572455509.db2.gz CDBPDYRZEFMQGD-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN COc1cccc(N)c1NC(C)=O 44606014 572455528 /nfs/dbraw/zinc/45/55/28/572455528.db2.gz MGLKLJLKSVELBU-UHFFFAOYSA-N 0 0 180.207 1.236 10 0 ADAERN CCOC(=O)[C@H](CC1CC1)C(=O)CC 238249910 572455558 /nfs/dbraw/zinc/45/55/58/572455558.db2.gz WDSQOQRDPWRYHH-SECBINFHSA-N 0 0 198.262 1.945 10 0 ADAERN CC1(C)C[C@H]1CC[C@@](C)(O)CO 238249901 572455609 /nfs/dbraw/zinc/45/56/09/572455609.db2.gz JEMKZVNUIVRISX-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1coc([C@H](N)[C@](C)(O)C2CC2)n1 74241861 572455625 /nfs/dbraw/zinc/45/56/25/572455625.db2.gz BXSOYHSWFFZRNT-WCBMZHEXSA-N 0 0 196.250 1.144 10 0 ADAERN CC1(C)Oc2ccccc2C(=O)[C@@H]1O 44603835 572455644 /nfs/dbraw/zinc/45/56/44/572455644.db2.gz KFNJFALHTHMEIQ-JTQLQIEISA-N 0 0 192.214 1.401 10 0 ADAERN CC1(C)C[C@H]1CC[C@](C)(O)CO 238249928 572455690 /nfs/dbraw/zinc/45/56/90/572455690.db2.gz JEMKZVNUIVRISX-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN CC[C@@]1(C(C)C)C[NH2+]C[C@H]1C(=O)[O-] 68949854 572455732 /nfs/dbraw/zinc/45/57/32/572455732.db2.gz WDIFWYLMPWULBD-WPRPVWTQSA-N 0 0 185.267 1.343 10 0 ADAERN NC(=O)N(O)[C@@H]1CCCc2occc21 74242603 572455736 /nfs/dbraw/zinc/45/57/36/572455736.db2.gz KSVRGVXRLXKFAS-SSDOTTSWSA-N 0 0 196.206 1.427 10 0 ADAERN Cc1nc(-c2nc(N)ns2)oc1C 74242195 572455907 /nfs/dbraw/zinc/45/59/07/572455907.db2.gz NRUPNPTZSLYUEV-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN CNCC(=O)c1nc2ccsc2o1 74242262 572455920 /nfs/dbraw/zinc/45/59/20/572455920.db2.gz ZLPQIZMDOQSKDF-UHFFFAOYSA-N 0 0 196.231 1.291 10 0 ADAERN N[C@@H](c1ncco1)[C@@H](O)C1CCCC1 74241826 572455928 /nfs/dbraw/zinc/45/59/28/572455928.db2.gz BORIFTIQLDINIZ-BDAKNGLRSA-N 0 0 196.250 1.226 10 0 ADAERN CNCC(=O)c1cc2cnoc2s1 74242264 572455943 /nfs/dbraw/zinc/45/59/43/572455943.db2.gz JPFQJXGOZFNKMO-UHFFFAOYSA-N 0 0 196.231 1.291 10 0 ADAERN Cc1nc(-c2snnc2N)oc1C 74242204 572456047 /nfs/dbraw/zinc/45/60/47/572456047.db2.gz HEOXHFPYKAWIDX-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN Cc1oncc1[C@H](C)NCCF 308028242 572456050 /nfs/dbraw/zinc/45/60/50/572456050.db2.gz HXYWVSGSHBYRDG-LURJTMIESA-N 0 0 172.203 1.603 10 0 ADAERN COc1nc(CN)oc1C1CCCC1 74242107 572456063 /nfs/dbraw/zinc/45/60/63/572456063.db2.gz XTOFSSCNNINCJF-UHFFFAOYSA-N 0 0 196.250 1.800 10 0 ADAERN CCN(CC)c1ccoc1C(=O)CN 74241784 572456070 /nfs/dbraw/zinc/45/60/70/572456070.db2.gz JDGMSUBDJKITFD-UHFFFAOYSA-N 0 0 196.250 1.267 10 0 ADAERN CCCO[C@H]1CCC[C@@H](CO)O1 238252013 572456173 /nfs/dbraw/zinc/45/61/73/572456173.db2.gz CBQNEGMIPOXWCD-DTWKUNHWSA-N 0 0 174.240 1.301 10 0 ADAERN O=C(CC(F)(F)F)C1CCOCC1 68956635 572456209 /nfs/dbraw/zinc/45/62/09/572456209.db2.gz KQSDFVLCHUOJJJ-UHFFFAOYSA-N 0 0 196.168 1.935 10 0 ADAERN Cc1nc(Cc2nc(N)no2)cs1 74242175 572456249 /nfs/dbraw/zinc/45/62/49/572456249.db2.gz QCRREDSMKCYFCW-UHFFFAOYSA-N 0 0 196.235 1.008 10 0 ADAERN Cc1nc(-c2nc(N)no2)c(C)s1 74242176 572456267 /nfs/dbraw/zinc/45/62/67/572456267.db2.gz XDXSKOOSDCBINX-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN COC[C@H](NN)[C@H](C)CC(C)C 308027805 572456289 /nfs/dbraw/zinc/45/62/89/572456289.db2.gz XWPUIMGLZSIGGG-BDAKNGLRSA-N 0 0 174.288 1.147 10 0 ADAERN COC[C@@H](NN)[C@@H](C)CC(C)C 308027806 572456321 /nfs/dbraw/zinc/45/63/21/572456321.db2.gz XWPUIMGLZSIGGG-DTWKUNHWSA-N 0 0 174.288 1.147 10 0 ADAERN CCc1nc(CC(C)(C)C)c(N)n1N 61839103 572456326 /nfs/dbraw/zinc/45/63/26/572456326.db2.gz LHRFXSLBZQZTPH-UHFFFAOYSA-N 0 0 196.298 1.330 10 0 ADAERN CC[C@](C)(O)C1CCOCC1 68956060 572456559 /nfs/dbraw/zinc/45/65/59/572456559.db2.gz YTLXJZONNBZLLU-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN Nc1coc2ccc(F)cc2c1=O 44604426 572456368 /nfs/dbraw/zinc/45/63/68/572456368.db2.gz DLQGJCHNQJGTFR-UHFFFAOYSA-N 0 0 179.150 1.514 10 0 ADAERN Cc1nc(C)c(-c2nsc(N)n2)o1 74242202 572456369 /nfs/dbraw/zinc/45/63/69/572456369.db2.gz RIYDQBRSBNJZQT-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN NN1CCOC[C@@H]1c1ccc(F)cc1 74242320 572456396 /nfs/dbraw/zinc/45/63/96/572456396.db2.gz SLBBGABKFBLFRU-SNVBAGLBSA-N 0 0 196.225 1.073 10 0 ADAERN Cc1cnc(-c2cn(N)c(=S)[nH]2)o1 74242234 572456405 /nfs/dbraw/zinc/45/64/05/572456405.db2.gz MRSUTDGOWHCWNL-UHFFFAOYSA-N 0 0 196.235 1.223 10 0 ADAERN [NH3+]CC1CCC(c2cc(=O)[n-]o2)CC1 74241922 572456413 /nfs/dbraw/zinc/45/64/13/572456413.db2.gz FPRUPEPQKANNJO-UHFFFAOYSA-N 0 0 196.250 1.613 10 0 ADAERN Cc1coc([C@@H](N)[C@](C)(O)C2CC2)n1 74241863 572456426 /nfs/dbraw/zinc/45/64/26/572456426.db2.gz BXSOYHSWFFZRNT-PSASIEDQSA-N 0 0 196.250 1.144 10 0 ADAERN CCC[C@@H](O)CC[C@@H](O)C(C)C 238255454 572456440 /nfs/dbraw/zinc/45/64/40/572456440.db2.gz QFPHPNWPDWBDBQ-NXEZZACHSA-N 0 0 174.284 1.945 10 0 ADAERN C/C=C/COC/C=C\C(=O)OCC 308028053 572456451 /nfs/dbraw/zinc/45/64/51/572456451.db2.gz ZHOUXAUTLLEXED-WZWXSLMZSA-N 0 0 184.235 1.698 10 0 ADAERN NN1CCOC[C@@H]1c1cccc(F)c1 74242317 572456468 /nfs/dbraw/zinc/45/64/68/572456468.db2.gz ZSXQSLBGTXFFEX-SNVBAGLBSA-N 0 0 196.225 1.073 10 0 ADAERN COC(=O)C[C@@H]1CC(=O)C[C@@H]1C 196782510 572456471 /nfs/dbraw/zinc/45/64/71/572456471.db2.gz HSZFSSXNQAZSLG-BQBZGAKWSA-N 0 0 170.208 1.165 10 0 ADAERN Cc1ccc([C@H](O)[C@@H](O)C2CC2)cn1 235920320 572456490 /nfs/dbraw/zinc/45/64/90/572456490.db2.gz PKIGLXZUQJROOH-QWRGUYRKSA-N 0 0 193.246 1.194 10 0 ADAERN CCOC(=O)C[C@H](CCO)C(C)C 238252174 572456493 /nfs/dbraw/zinc/45/64/93/572456493.db2.gz SRSWSHYZNXLHQJ-VIFPVBQESA-N 0 0 188.267 1.594 10 0 ADAERN Cc1oncc1[C@@H](C)NCCF 308028246 572456513 /nfs/dbraw/zinc/45/65/13/572456513.db2.gz HXYWVSGSHBYRDG-ZCFIWIBFSA-N 0 0 172.203 1.603 10 0 ADAERN Nc1ncccc1OCCC1CC1 83926059 572456524 /nfs/dbraw/zinc/45/65/24/572456524.db2.gz PVBMSBJINQQSNM-UHFFFAOYSA-N 0 0 178.235 1.843 10 0 ADAERN CC(C)CC[C@H](N)C(=O)c1cnco1 74242099 572456634 /nfs/dbraw/zinc/45/66/34/572456634.db2.gz DHFNBCUJQHJQTG-QMMMGPOBSA-N 0 0 196.250 1.621 10 0 ADAERN CCC[C@@H](O)CC[C@H](O)C(C)C 238255569 572456582 /nfs/dbraw/zinc/45/65/82/572456582.db2.gz QFPHPNWPDWBDBQ-ZJUUUORDSA-N 0 0 174.284 1.945 10 0 ADAERN CCCN(CO)C(=O)c1ccccc1 238252153 572456586 /nfs/dbraw/zinc/45/65/86/572456586.db2.gz QIGYNNRCDWHYCY-UHFFFAOYSA-N 0 0 193.246 1.489 10 0 ADAERN O=C1N[C@H](c2ccccc2)S[C@H]1F 196781383 572456591 /nfs/dbraw/zinc/45/65/91/572456591.db2.gz YECHAEOJROAMOA-APPZFPTMSA-N 0 0 197.234 1.844 10 0 ADAERN OCc1nc(-c2ccccc2F)c[nH]1 68945839 572456626 /nfs/dbraw/zinc/45/66/26/572456626.db2.gz ZEAOFCSOXQMFSI-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN CC(C)[C@@H]1CCc2[nH]c(CO)nc2C1 68945807 572456633 /nfs/dbraw/zinc/45/66/33/572456633.db2.gz PKWZYPQLDYGGHL-MRVPVSSYSA-N 0 0 194.278 1.663 10 0 ADAERN CCCCCC(=O)[C@H](C)CO 90429531 572456689 /nfs/dbraw/zinc/45/66/89/572456689.db2.gz DPSBGYKXZNIRHJ-MRVPVSSYSA-N 0 0 158.241 1.764 10 0 ADAERN CC(C)S(=O)(=O)NCCC1CC1 83912826 572456646 /nfs/dbraw/zinc/45/66/46/572456646.db2.gz JONSMPZGIPQRCE-UHFFFAOYSA-N 0 0 191.296 1.114 10 0 ADAERN CCC[C@@H](O)CC/C=C/CO 238255627 572456647 /nfs/dbraw/zinc/45/66/47/572456647.db2.gz WPIBUGQWKHCSOQ-HYYFJVDXSA-N 0 0 158.241 1.476 10 0 ADAERN CCn1cc([C@@H](O)[C@@H](C)C(C)C)nn1 714444995 572456695 /nfs/dbraw/zinc/45/66/95/572456695.db2.gz DYFAZAYDFYVLHD-WPRPVWTQSA-N 0 0 197.282 1.624 10 0 ADAERN Cc1nc(C(=O)CN)oc1C(C)(C)C 74241994 572456697 /nfs/dbraw/zinc/45/66/97/572456697.db2.gz ZZBLGCDGWWJGHW-UHFFFAOYSA-N 0 0 196.250 1.422 10 0 ADAERN N[C@H](c1ccno1)[C@@H](O)C1CCCC1 74241842 572456705 /nfs/dbraw/zinc/45/67/05/572456705.db2.gz DGOJXYIHMMMHAK-ZJUUUORDSA-N 0 0 196.250 1.226 10 0 ADAERN C[Si](C)(C)c1cncc(C=O)c1 196789337 572456829 /nfs/dbraw/zinc/45/68/29/572456829.db2.gz IKLYTGMCVRDIHE-UHFFFAOYSA-N 0 0 179.295 1.439 10 0 ADAERN C=CS(=O)(=O)c1cccc(OC)c1 61844216 572456729 /nfs/dbraw/zinc/45/67/29/572456729.db2.gz PRSCHTRGHGGLDU-UHFFFAOYSA-N 0 0 198.243 1.612 10 0 ADAERN Cc1cc(C(=O)[C@H](N)CC(C)C)no1 74242102 572456766 /nfs/dbraw/zinc/45/67/66/572456766.db2.gz HTECHQMBYFYGOW-MRVPVSSYSA-N 0 0 196.250 1.539 10 0 ADAERN C[C@@H]1CCCC[C@@]12C[NH2+]C[C@@H]2C(=O)[O-] 68949488 572456858 /nfs/dbraw/zinc/45/68/58/572456858.db2.gz WUEOIBJCSIILEH-FXPVBKGRSA-N 0 0 197.278 1.487 10 0 ADAERN COC[C@@]12CC(=O)CC[C@@H]1C2 196795022 572456818 /nfs/dbraw/zinc/45/68/18/572456818.db2.gz JCINVHKUAGMCPD-VXNVDRBHSA-N 0 0 154.209 1.392 10 0 ADAERN CC[C@@]1(C(C)C)C[NH2+]C[C@@H]1C(=O)[O-] 68949850 572456832 /nfs/dbraw/zinc/45/68/32/572456832.db2.gz WDIFWYLMPWULBD-SCZZXKLOSA-N 0 0 185.267 1.343 10 0 ADAERN CC[C@]1(C(C)C)C[NH2+]C[C@H]1C(=O)[O-] 68949852 572456846 /nfs/dbraw/zinc/45/68/46/572456846.db2.gz WDIFWYLMPWULBD-WCBMZHEXSA-N 0 0 185.267 1.343 10 0 ADAERN C[C@H]1CC(=O)C[C@H]1CC[C@@H](C)O 196782184 572456975 /nfs/dbraw/zinc/45/69/75/572456975.db2.gz AJDNYTFIJCNKFU-DJLDLDEBSA-N 0 0 170.252 1.763 10 0 ADAERN CC(=O)CC[C@@H]1CC(=O)C[C@@H]1C 196781974 572457004 /nfs/dbraw/zinc/45/70/04/572457004.db2.gz PLFPEYANYWRYLU-IONNQARKSA-N 0 0 168.236 1.971 10 0 ADAERN CCc1noc(-c2cncs2)c1N 74244448 572461760 /nfs/dbraw/zinc/46/17/60/572461760.db2.gz PQUZMLBYJDTZDL-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN OC1(C2CCOCC2)CCCC1 68955948 572457007 /nfs/dbraw/zinc/45/70/07/572457007.db2.gz IUIYSKWYGWUAHK-UHFFFAOYSA-N 0 0 170.252 1.718 10 0 ADAERN CCCn1c(C=O)c(C(C)C)[nH]c1=O 74242151 572457008 /nfs/dbraw/zinc/45/70/08/572457008.db2.gz ZQFVRMAIDOFLHV-UHFFFAOYSA-N 0 0 196.250 1.522 10 0 ADAERN CC[C@H](C)C[C@@H](CC)[C@@H](O)CO 308028251 572457012 /nfs/dbraw/zinc/45/70/12/572457012.db2.gz HYLFMEGOQJHRFT-AEJSXWLSSA-N 0 0 174.284 1.802 10 0 ADAERN CCC[C@@H](N)C(=O)c1oc(C)nc1C 74241954 572457017 /nfs/dbraw/zinc/45/70/17/572457017.db2.gz MJUWOGWBURPWRY-MRVPVSSYSA-N 0 0 196.250 1.602 10 0 ADAERN CCN(CC)c1cc([C@H](C)O)ccn1 87414362 572457035 /nfs/dbraw/zinc/45/70/35/572457035.db2.gz JBRACZAEUYEXIV-VIFPVBQESA-N 0 0 194.278 1.981 10 0 ADAERN CCC[C@]1(C)C[NH2+]C[C@H]1C(=O)[O-] 68949736 572457039 /nfs/dbraw/zinc/45/70/39/572457039.db2.gz SIMOARWJSABNGF-IONNQARKSA-N 0 0 171.240 1.097 10 0 ADAERN CCC1(CC)C[NH2+]C[C@@H]1C(=O)[O-] 68949458 572457059 /nfs/dbraw/zinc/45/70/59/572457059.db2.gz BVRGKKQRGVYZSY-SSDOTTSWSA-N 0 0 171.240 1.097 10 0 ADAERN CC1(C)Oc2ccccc2C(=O)[C@H]1O 44603831 572457063 /nfs/dbraw/zinc/45/70/63/572457063.db2.gz KFNJFALHTHMEIQ-SNVBAGLBSA-N 0 0 192.214 1.401 10 0 ADAERN C[Si](C)(C)c1ccnc(N)c1 196789315 572457107 /nfs/dbraw/zinc/45/71/07/572457107.db2.gz DIYFHEXNQGACIG-UHFFFAOYSA-N 0 0 166.300 1.209 10 0 ADAERN C[C@H]1CCCC(=O)[C@@H]1CCO 196789715 572457129 /nfs/dbraw/zinc/45/71/29/572457129.db2.gz IGXYZAONJMQJJU-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1coc([C@@H](N)[C@@](C)(O)C2CC2)n1 74241866 572457132 /nfs/dbraw/zinc/45/71/32/572457132.db2.gz BXSOYHSWFFZRNT-SCZZXKLOSA-N 0 0 196.250 1.144 10 0 ADAERN CCOC(=O)[C@H](N)CCC1CC1 83926805 572457153 /nfs/dbraw/zinc/45/71/53/572457153.db2.gz RUSNOLSLPQKTMI-MRVPVSSYSA-N 0 0 171.240 1.067 10 0 ADAERN COC[C@]12CC(=O)CC[C@H]1C2 196794995 572457170 /nfs/dbraw/zinc/45/71/70/572457170.db2.gz JCINVHKUAGMCPD-CBAPKCEASA-N 0 0 154.209 1.392 10 0 ADAERN O=C1N[C@@H](c2ccccc2)S[C@H]1F 196781369 572457180 /nfs/dbraw/zinc/45/71/80/572457180.db2.gz YECHAEOJROAMOA-VXNVDRBHSA-N 0 0 197.234 1.844 10 0 ADAERN CCN(C)[C@@H]1C[NH2+]Cc2ccccc21 68949008 572457198 /nfs/dbraw/zinc/45/71/98/572457198.db2.gz VNGDUEKDGCYODF-GFCCVEGCSA-N 0 0 190.290 1.783 10 0 ADAERN CCN(C)[C@H]1C[NH2+]Cc2ccccc21 68949010 572457256 /nfs/dbraw/zinc/45/72/56/572457256.db2.gz VNGDUEKDGCYODF-LBPRGKRZSA-N 0 0 190.290 1.783 10 0 ADAERN CC(C)(O)[C@]12CC(=O)CC[C@H]1C2 196795074 572457258 /nfs/dbraw/zinc/45/72/58/572457258.db2.gz OIQAGUQOKYVHMY-OIBJUYFYSA-N 0 0 168.236 1.517 10 0 ADAERN N[C@@H](c1ccno1)[C@H](O)C1CCCC1 74241837 572457269 /nfs/dbraw/zinc/45/72/69/572457269.db2.gz DGOJXYIHMMMHAK-VHSXEESVSA-N 0 0 196.250 1.226 10 0 ADAERN CCCC[C@]1(C)OCCN1CCO 238255287 572457287 /nfs/dbraw/zinc/45/72/87/572457287.db2.gz JCMJLLABMCUXJW-JTQLQIEISA-N 0 0 187.283 1.217 10 0 ADAERN CSC(=O)C(C)(C)C(C)=O 196792091 572457317 /nfs/dbraw/zinc/45/73/17/572457317.db2.gz XQILHOFYLUDKRF-UHFFFAOYSA-N 0 0 160.238 1.491 10 0 ADAERN CCCCCC(=O)[C@@H](C)CO 90429530 572457319 /nfs/dbraw/zinc/45/73/19/572457319.db2.gz DPSBGYKXZNIRHJ-QMMMGPOBSA-N 0 0 158.241 1.764 10 0 ADAERN CCC1(CC)C[NH2+]C[C@H]1C(=O)[O-] 68949460 572457414 /nfs/dbraw/zinc/45/74/14/572457414.db2.gz BVRGKKQRGVYZSY-ZETCQYMHSA-N 0 0 171.240 1.097 10 0 ADAERN CCC[C@@H](O)/C=C/C(OC)OC 238252175 572457549 /nfs/dbraw/zinc/45/75/49/572457549.db2.gz AIOIOBAKASPUFF-HYDMIIDASA-N 0 0 174.240 1.323 10 0 ADAERN CCOc1ccc(-c2ccc[nH]2)nn1 196782696 572457440 /nfs/dbraw/zinc/45/74/40/572457440.db2.gz SHDVZHYSJNBCLO-UHFFFAOYSA-N 0 0 189.218 1.870 10 0 ADAERN COC(=O)c1cccc2c1COC2=O 196781816 572457509 /nfs/dbraw/zinc/45/75/09/572457509.db2.gz GICGRSJFPUWVHC-UHFFFAOYSA-N 0 0 192.170 1.144 10 0 ADAERN C[Si](C)(C)c1ccnc(C=O)c1 196789325 572457529 /nfs/dbraw/zinc/45/75/29/572457529.db2.gz VEWRKDILDNFRRJ-UHFFFAOYSA-N 0 0 179.295 1.439 10 0 ADAERN C/C=C(/C(=O)OCC)[C@H](O)CCC 238252097 572457578 /nfs/dbraw/zinc/45/75/78/572457578.db2.gz DQKMRUKBVAXSKO-WHXYTISESA-N 0 0 186.251 1.657 10 0 ADAERN COC[C@@H](NN)[C@H](C)CC(C)C 308027808 572457564 /nfs/dbraw/zinc/45/75/64/572457564.db2.gz XWPUIMGLZSIGGG-RKDXNWHRSA-N 0 0 174.288 1.147 10 0 ADAERN CCn1cc([C@H](O)[C@@H](C)C(C)C)nn1 714444993 572457575 /nfs/dbraw/zinc/45/75/75/572457575.db2.gz DYFAZAYDFYVLHD-WCBMZHEXSA-N 0 0 197.282 1.624 10 0 ADAERN CCC[C@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 68949732 572457595 /nfs/dbraw/zinc/45/75/95/572457595.db2.gz SIMOARWJSABNGF-VXNVDRBHSA-N 0 0 171.240 1.097 10 0 ADAERN CCN(CC)c1coc(C(=O)CN)c1 74241783 572457596 /nfs/dbraw/zinc/45/75/96/572457596.db2.gz UHDLHXIYSWIOJI-UHFFFAOYSA-N 0 0 196.250 1.267 10 0 ADAERN C[C@H]1CCC[C@@]2(C[NH2+]C[C@@H]2C(=O)[O-])C1 68949904 572457599 /nfs/dbraw/zinc/45/75/99/572457599.db2.gz WYFDVGNMHIWDQC-NGZCFLSTSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1noc(C)c1-c1nc(N)ns1 74242197 572457636 /nfs/dbraw/zinc/45/76/36/572457636.db2.gz ZVADCLGFLXKSEB-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN Cc1nc(C)c(-c2snnc2N)o1 74242206 572457666 /nfs/dbraw/zinc/45/76/66/572457666.db2.gz KKBDCLXQRNHMEO-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN CCC[C@@H](O)CC(=O)c1ccccn1 238254728 572460780 /nfs/dbraw/zinc/46/07/80/572460780.db2.gz RXJWIZNOWSNNTF-SECBINFHSA-N 0 0 193.246 1.815 10 0 ADAERN Cc1cc2c(o1)CC[C@H]2N(O)C(N)=O 74242609 572457704 /nfs/dbraw/zinc/45/77/04/572457704.db2.gz KKTSZYMBZSMODV-SSDOTTSWSA-N 0 0 196.206 1.345 10 0 ADAERN C[C@@]12CCC(=O)C[C@H]1OC(=O)C2 196796855 572457750 /nfs/dbraw/zinc/45/77/50/572457750.db2.gz KPBHNJSUCUSMKE-APPZFPTMSA-N 0 0 168.192 1.061 10 0 ADAERN CC(C)[C@H]1CCc2[nH]c(CO)nc2C1 68945808 572457773 /nfs/dbraw/zinc/45/77/73/572457773.db2.gz PKWZYPQLDYGGHL-QMMMGPOBSA-N 0 0 194.278 1.663 10 0 ADAERN C[C@@H]1CCCC[C@]12C[NH2+]C[C@@H]2C(=O)[O-] 68949492 572457796 /nfs/dbraw/zinc/45/77/96/572457796.db2.gz WUEOIBJCSIILEH-KKZNHRDASA-N 0 0 197.278 1.487 10 0 ADAERN O=C1[C@H](c2ccccc2)CCC[C@H]1O 196791826 572457808 /nfs/dbraw/zinc/45/78/08/572457808.db2.gz LXDNIPPYFYGNEF-WDEREUQCSA-N 0 0 190.242 1.884 10 0 ADAERN C/C=C\COC/C=C\C(=O)OCC 308028052 572457816 /nfs/dbraw/zinc/45/78/16/572457816.db2.gz ZHOUXAUTLLEXED-VKLRWAGZSA-N 0 0 184.235 1.698 10 0 ADAERN C/C=C\C(=O)NC1(C(F)F)CC1 308032626 572457822 /nfs/dbraw/zinc/45/78/22/572457822.db2.gz JKFDTUGQDFNKAH-IHWYPQMZSA-N 0 0 175.178 1.476 10 0 ADAERN Cc1nc(C)c(-c2nonc2N)s1 74242248 572457840 /nfs/dbraw/zinc/45/78/40/572457840.db2.gz CACMRXJCJGMERG-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN C[C@]12CCC(=O)C[C@@H]1OC(=O)C2 196796839 572457842 /nfs/dbraw/zinc/45/78/42/572457842.db2.gz KPBHNJSUCUSMKE-IONNQARKSA-N 0 0 168.192 1.061 10 0 ADAERN C[C@H]1CCC[C@]2(C[NH2+]C[C@@H]2C(=O)[O-])C1 68949900 572457878 /nfs/dbraw/zinc/45/78/78/572457878.db2.gz WYFDVGNMHIWDQC-IQJOONFLSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1cc2c(o1)CC[C@@H]2N(O)C(N)=O 74242607 572457912 /nfs/dbraw/zinc/45/79/12/572457912.db2.gz KKTSZYMBZSMODV-ZETCQYMHSA-N 0 0 196.206 1.345 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](O)C=C(C)C 308032637 572457917 /nfs/dbraw/zinc/45/79/17/572457917.db2.gz JKOXZTHLNMVLEE-YUMQZZPRSA-N 0 0 172.224 1.123 10 0 ADAERN CC(C)CC[C@@H](C)NC(=S)NN 68945214 572457962 /nfs/dbraw/zinc/45/79/62/572457962.db2.gz IZXICHADELHMNL-SSDOTTSWSA-N 0 0 189.328 1.149 10 0 ADAERN C[N@@H+]1CCc2sccc2[C@H]1C(=O)[O-] 44592198 572457970 /nfs/dbraw/zinc/45/79/70/572457970.db2.gz FLPVKKWAVNZHPA-QMMMGPOBSA-N 0 0 197.259 1.362 10 0 ADAERN CC(C)(O)[C@@]12CC(=O)CC[C@@H]1C2 196795097 572457976 /nfs/dbraw/zinc/45/79/76/572457976.db2.gz OIQAGUQOKYVHMY-XCBNKYQSSA-N 0 0 168.236 1.517 10 0 ADAERN O=C1[C@H](O)CCC[C@@H]1c1ccccc1 196791838 572457995 /nfs/dbraw/zinc/45/79/95/572457995.db2.gz LXDNIPPYFYGNEF-GHMZBOCLSA-N 0 0 190.242 1.884 10 0 ADAERN N[C@@H](c1ccno1)[C@@H](O)C1CCCC1 74241840 572458006 /nfs/dbraw/zinc/45/80/06/572458006.db2.gz DGOJXYIHMMMHAK-UWVGGRQHSA-N 0 0 196.250 1.226 10 0 ADAERN O[C@H](c1ccco1)C1CCOCC1 68956222 572458014 /nfs/dbraw/zinc/45/80/14/572458014.db2.gz DLCGQVKWVMGVQR-JTQLQIEISA-N 0 0 182.219 1.740 10 0 ADAERN CC(C)n1nc(C=O)c2c1OCCO2 74242710 572458048 /nfs/dbraw/zinc/45/80/48/572458048.db2.gz GCSTYBJCTQVBTI-UHFFFAOYSA-N 0 0 196.206 1.048 10 0 ADAERN CCOC(=O)NCCC1CC1 83912721 572458054 /nfs/dbraw/zinc/45/80/54/572458054.db2.gz VWSJMUPLQNMNRN-UHFFFAOYSA-N 0 0 157.213 1.533 10 0 ADAERN CCOc1c(CC(C)(C)C)c(=O)c1=O 238255624 572458059 /nfs/dbraw/zinc/45/80/59/572458059.db2.gz JFQNMNIZYKCGPA-UHFFFAOYSA-N 0 0 196.246 1.270 10 0 ADAERN Nc1ccccc1[C@@H]1CCOCO1 196785448 572458065 /nfs/dbraw/zinc/45/80/65/572458065.db2.gz QDQFDZZEIYBXJL-JTQLQIEISA-N 0 0 179.219 1.704 10 0 ADAERN Cc1nc(-c2nonc2N)c(C)s1 74242246 572458070 /nfs/dbraw/zinc/45/80/70/572458070.db2.gz FGZYBRXDOLDSMU-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN C[C@@]1(C[C@]2(O)CCOC2)CC1(F)F 689643707 572458074 /nfs/dbraw/zinc/45/80/74/572458074.db2.gz BATRDKUIBRRXSU-HTQZYQBOSA-N 0 0 192.205 1.573 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](C)[C@@H](O)C1=O 196782363 572458103 /nfs/dbraw/zinc/45/81/03/572458103.db2.gz JLHSZMIFWJRIRM-HRDYMLBCSA-N 0 0 170.252 1.619 10 0 ADAERN [NH3+]Cc1csc([N-]c2ncco2)n1 74242180 572458114 /nfs/dbraw/zinc/45/81/14/572458114.db2.gz VHPXTHUMNIFQEI-UHFFFAOYSA-N 0 0 196.235 1.333 10 0 ADAERN COC(=O)/C=C/CC[C@@H](C)CO 308033168 572458135 /nfs/dbraw/zinc/45/81/35/572458135.db2.gz JOYGECYBPZSVKT-YZCDNWJKSA-N 0 0 172.224 1.124 10 0 ADAERN CCC[C@H]([NH2+]C)[P@@](=O)([O-])OCC 238255613 572458247 /nfs/dbraw/zinc/45/82/47/572458247.db2.gz AQJVSVKDVWJNMS-SSDOTTSWSA-N 0 0 195.199 1.554 10 0 ADAERN Cc1coc([C@H](N)[C@@](C)(O)C2CC2)n1 74241864 572458252 /nfs/dbraw/zinc/45/82/52/572458252.db2.gz BXSOYHSWFFZRNT-WPRPVWTQSA-N 0 0 196.250 1.144 10 0 ADAERN N[C@H](c1ncco1)[C@@H](O)C1CCCC1 74241828 572458291 /nfs/dbraw/zinc/45/82/91/572458291.db2.gz BORIFTIQLDINIZ-IUCAKERBSA-N 0 0 196.250 1.226 10 0 ADAERN Cc1nc(-c2nonc2C)c(N)s1 74242183 572458313 /nfs/dbraw/zinc/45/83/13/572458313.db2.gz MXGAYXVRXRAYQR-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN CCCC[C@@H](C)/C=C/[C@H](O)CO 238255128 572458350 /nfs/dbraw/zinc/45/83/50/572458350.db2.gz RKTGJPYMTOOSGI-YJOJJWFDSA-N 0 0 172.268 1.722 10 0 ADAERN C[C@@]1(C[C@@]2(O)CCOC2)CC1(F)F 689643715 572458359 /nfs/dbraw/zinc/45/83/59/572458359.db2.gz BATRDKUIBRRXSU-SFYZADRCSA-N 0 0 192.205 1.573 10 0 ADAERN C=CS(=O)(=O)c1cccc(C)c1 61844229 572459321 /nfs/dbraw/zinc/45/93/21/572459321.db2.gz SGMIFOKONPWISF-UHFFFAOYSA-N 0 0 182.244 1.912 10 0 ADAERN COC(=O)/C=C/CC[C@H](C)CO 308033166 572458407 /nfs/dbraw/zinc/45/84/07/572458407.db2.gz JOYGECYBPZSVKT-JQTRYQTASA-N 0 0 172.224 1.124 10 0 ADAERN N[C@H](c1ccno1)[C@H](O)C1CCCC1 74241839 572458432 /nfs/dbraw/zinc/45/84/32/572458432.db2.gz DGOJXYIHMMMHAK-NXEZZACHSA-N 0 0 196.250 1.226 10 0 ADAERN CCCO[C@H]1CCC[C@H](CO)O1 238252051 572458439 /nfs/dbraw/zinc/45/84/39/572458439.db2.gz CBQNEGMIPOXWCD-RKDXNWHRSA-N 0 0 174.240 1.301 10 0 ADAERN CCCN(C)C(=O)N1CC(C)C1 308028178 572458448 /nfs/dbraw/zinc/45/84/48/572458448.db2.gz HXNNMPDJOCVJFQ-UHFFFAOYSA-N 0 0 170.256 1.400 10 0 ADAERN NN1CCOC[C@H]1c1ccc(F)cc1 74242318 572458450 /nfs/dbraw/zinc/45/84/50/572458450.db2.gz SLBBGABKFBLFRU-JTQLQIEISA-N 0 0 196.225 1.073 10 0 ADAERN O=C1CCC2=C(CCOC2)C1 196788575 572458464 /nfs/dbraw/zinc/45/84/64/572458464.db2.gz OCDFEOXALNYEMC-UHFFFAOYSA-N 0 0 152.193 1.456 10 0 ADAERN CCC[C@@H](O)/C=C/C=C/C(=O)OCC 238252187 572458469 /nfs/dbraw/zinc/45/84/69/572458469.db2.gz AMMBVDHZVVWUTL-ZVMXJLBNSA-N 0 0 198.262 1.823 10 0 ADAERN CC(C)[C@H]1CC[C@@H](C)[C@@H](O)C1=O 196782331 572458505 /nfs/dbraw/zinc/45/85/05/572458505.db2.gz JLHSZMIFWJRIRM-IWSPIJDZSA-N 0 0 170.252 1.619 10 0 ADAERN NN1CCOC[C@H]1c1cccc(F)c1 74242315 572458507 /nfs/dbraw/zinc/45/85/07/572458507.db2.gz ZSXQSLBGTXFFEX-JTQLQIEISA-N 0 0 196.225 1.073 10 0 ADAERN COC(=O)[C@H](C)[C@@H](O)C=C(C)C 308032635 572458512 /nfs/dbraw/zinc/45/85/12/572458512.db2.gz JKOXZTHLNMVLEE-SFYZADRCSA-N 0 0 172.224 1.123 10 0 ADAERN CCC[C@H](NC(C)=O)n1ccnc1 238255117 572458522 /nfs/dbraw/zinc/45/85/22/572458522.db2.gz MYUZMYOQTNKMON-SECBINFHSA-N 0 0 181.239 1.318 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC12CCCCCC2 68949574 572458548 /nfs/dbraw/zinc/45/85/48/572458548.db2.gz VJDVZUAFYFJCEU-VIFPVBQESA-N 0 0 197.278 1.631 10 0 ADAERN CCC[C@@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 68949734 572458576 /nfs/dbraw/zinc/45/85/76/572458576.db2.gz SIMOARWJSABNGF-APPZFPTMSA-N 0 0 171.240 1.097 10 0 ADAERN CC(C)CC[C@@H](N)C(=O)c1cnco1 74242100 572458577 /nfs/dbraw/zinc/45/85/77/572458577.db2.gz DHFNBCUJQHJQTG-MRVPVSSYSA-N 0 0 196.250 1.621 10 0 ADAERN N[C@@H](c1ncco1)[C@H](O)C1CCCC1 74241824 572458625 /nfs/dbraw/zinc/45/86/25/572458625.db2.gz BORIFTIQLDINIZ-RKDXNWHRSA-N 0 0 196.250 1.226 10 0 ADAERN O=C1[C@@H](O)CCC[C@H]1c1ccccc1 196791808 572458626 /nfs/dbraw/zinc/45/86/26/572458626.db2.gz LXDNIPPYFYGNEF-QWRGUYRKSA-N 0 0 190.242 1.884 10 0 ADAERN CCCC[C@](C)(CO)OCC 238252064 572458633 /nfs/dbraw/zinc/45/86/33/572458633.db2.gz MUQSKAWMWBDIMB-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN C[C@]1(C[C@]2(O)CCOC2)CC1(F)F 689643711 572458636 /nfs/dbraw/zinc/45/86/36/572458636.db2.gz BATRDKUIBRRXSU-JGVFFNPUSA-N 0 0 192.205 1.573 10 0 ADAERN CC(C)[C@@H]1CC[C@H](C)[C@@H](O)C1=O 196782379 572458663 /nfs/dbraw/zinc/45/86/63/572458663.db2.gz JLHSZMIFWJRIRM-XHNCKOQMSA-N 0 0 170.252 1.619 10 0 ADAERN CCOC(=O)c1cc(CC)c(O)cn1 238255575 572458698 /nfs/dbraw/zinc/45/86/98/572458698.db2.gz KPGCBTOIWLCNEJ-UHFFFAOYSA-N 0 0 195.218 1.526 10 0 ADAERN CC[C@]1(C(C)C)C[NH2+]C[C@@H]1C(=O)[O-] 68949849 572458721 /nfs/dbraw/zinc/45/87/21/572458721.db2.gz WDIFWYLMPWULBD-PSASIEDQSA-N 0 0 185.267 1.343 10 0 ADAERN C[Si](C)(C)c1cncc(CO)c1 196789350 572458730 /nfs/dbraw/zinc/45/87/30/572458730.db2.gz RXHGKYDBFAKBPL-UHFFFAOYSA-N 0 0 181.311 1.119 10 0 ADAERN C=CS(=O)(=O)CC(C)C 61844225 572458746 /nfs/dbraw/zinc/45/87/46/572458746.db2.gz OKLWWRGIZAWOJS-UHFFFAOYSA-N 0 0 148.227 1.201 10 0 ADAERN CNc1nn(C)c(=S)s1 196796968 572458779 /nfs/dbraw/zinc/45/87/79/572458779.db2.gz JIQIBRCZFMSALA-UHFFFAOYSA-N 0 0 161.255 1.253 10 0 ADAERN CCCC[C@](C)(C[NH3+])[P@@](=O)([O-])O 238251988 572458790 /nfs/dbraw/zinc/45/87/90/572458790.db2.gz RSDDAPKSMCMWGH-SSDOTTSWSA-N 0 0 195.199 1.072 10 0 ADAERN CCO[C@H](C)c1ncc(CO)s1 83942990 572458796 /nfs/dbraw/zinc/45/87/96/572458796.db2.gz GFWHXUWJSIJAJY-ZCFIWIBFSA-N 0 0 187.264 1.733 10 0 ADAERN C[C@H]1CCCC(=O)[C@H]1CCO 196789738 572458818 /nfs/dbraw/zinc/45/88/18/572458818.db2.gz IGXYZAONJMQJJU-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN CCC[C@@]1(C)C[NH2+]C[C@H]1C(=O)[O-] 68949739 572458823 /nfs/dbraw/zinc/45/88/23/572458823.db2.gz SIMOARWJSABNGF-CBAPKCEASA-N 0 0 171.240 1.097 10 0 ADAERN CC[N@H+](CCC1CC1)[C@H](C)CC(=O)[O-] 83935022 572458826 /nfs/dbraw/zinc/45/88/26/572458826.db2.gz RRHHPSQVVNNAHX-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@@H](O)C(=O)NC1CCCCC1 238253516 572460810 /nfs/dbraw/zinc/46/08/10/572460810.db2.gz GQUUYCGYADYZOW-SNVBAGLBSA-N 0 0 199.294 1.596 10 0 ADAERN C[C@@H]1CCCC(=O)[C@@H]1CCO 196789705 572458931 /nfs/dbraw/zinc/45/89/31/572458931.db2.gz IGXYZAONJMQJJU-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN COCCCc1nc(CO)cs1 83942670 572458986 /nfs/dbraw/zinc/45/89/86/572458986.db2.gz ADSZGAPIXXYNHT-UHFFFAOYSA-N 0 0 187.264 1.214 10 0 ADAERN CCC(O)(CC)C1CCOCC1 68956067 572458990 /nfs/dbraw/zinc/45/89/90/572458990.db2.gz XQLSQYSFUQQOBZ-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN O=C1[C@@H](O)CCC[C@@H]1c1ccccc1 196791816 572459012 /nfs/dbraw/zinc/45/90/12/572459012.db2.gz LXDNIPPYFYGNEF-MNOVXSKESA-N 0 0 190.242 1.884 10 0 ADAERN O=C1N[C@@H](c2ccccc2)S[C@@H]1F 196781396 572459043 /nfs/dbraw/zinc/45/90/43/572459043.db2.gz YECHAEOJROAMOA-IONNQARKSA-N 0 0 197.234 1.844 10 0 ADAERN CCN(CC)SCCNC(C)=O 238255272 572459069 /nfs/dbraw/zinc/45/90/69/572459069.db2.gz IEIHIIBLTXXQOQ-UHFFFAOYSA-N 0 0 190.312 1.113 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]CC12CCCCCC2 68949572 572459070 /nfs/dbraw/zinc/45/90/70/572459070.db2.gz VJDVZUAFYFJCEU-SECBINFHSA-N 0 0 197.278 1.631 10 0 ADAERN Oc1ccccc1OC1CCOCC1 68955645 572459107 /nfs/dbraw/zinc/45/91/07/572459107.db2.gz VAVQXZWZFPHCEX-UHFFFAOYSA-N 0 0 194.230 1.950 10 0 ADAERN C[C@@]12CCC(=O)C[C@@H]1OC(=O)C2 196796823 572459109 /nfs/dbraw/zinc/45/91/09/572459109.db2.gz KPBHNJSUCUSMKE-CBAPKCEASA-N 0 0 168.192 1.061 10 0 ADAERN C/C(CCO)=C(/C)CCO 196791855 572459111 /nfs/dbraw/zinc/45/91/11/572459111.db2.gz DROBWWQYMGRZKW-BQYQJAHWSA-N 0 0 144.214 1.088 10 0 ADAERN CC1(C)Cc2ccsc2C(=O)[C@@H]1N 74243185 572459114 /nfs/dbraw/zinc/45/91/14/572459114.db2.gz YLRKMPZLQNNWAW-VIFPVBQESA-N 0 0 195.287 1.840 10 0 ADAERN CCCC[C@](C)(C[NH3+])CC(=O)[O-] 238251971 572459120 /nfs/dbraw/zinc/45/91/20/572459120.db2.gz FTKFLGBZTFWTQF-VIFPVBQESA-N 0 0 173.256 1.616 10 0 ADAERN C[C@@]1(c2ccccc2N)CCOCO1 196785494 572459165 /nfs/dbraw/zinc/45/91/65/572459165.db2.gz UMMLXJFWDDPPGH-NSHDSACASA-N 0 0 193.246 1.878 10 0 ADAERN CC[C@H]1C(=O)N(C(C)(C)C)C(=O)N1C 44626449 572459168 /nfs/dbraw/zinc/45/91/68/572459168.db2.gz MPAQDCILVCRTEO-ZETCQYMHSA-N 0 0 198.266 1.458 10 0 ADAERN CC[C@@](C)(O)C1CCOCC1 68956064 572459170 /nfs/dbraw/zinc/45/91/70/572459170.db2.gz YTLXJZONNBZLLU-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)[C@H]1CC[C@H](C)[C@@H](O)C1=O 196782349 572459191 /nfs/dbraw/zinc/45/91/91/572459191.db2.gz JLHSZMIFWJRIRM-DJLDLDEBSA-N 0 0 170.252 1.619 10 0 ADAERN O=C(CCC1CC1)[C@H]1CCOC1 83935971 572460821 /nfs/dbraw/zinc/46/08/21/572460821.db2.gz TWGCKBIDYGXHSR-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN O[C@@H](c1ccco1)C1CCOCC1 68956219 572459204 /nfs/dbraw/zinc/45/92/04/572459204.db2.gz DLCGQVKWVMGVQR-SNVBAGLBSA-N 0 0 182.219 1.740 10 0 ADAERN CCOC(=O)c1cc(C=O)cnc1C 238255357 572459210 /nfs/dbraw/zinc/45/92/10/572459210.db2.gz HJUATXZWGGGQSV-UHFFFAOYSA-N 0 0 193.202 1.379 10 0 ADAERN O=C1N[C@H](c2ccccc2)S[C@@H]1F 196781410 572459221 /nfs/dbraw/zinc/45/92/21/572459221.db2.gz YECHAEOJROAMOA-CBAPKCEASA-N 0 0 197.234 1.844 10 0 ADAERN CC[N@H+](CCC1CC1)C[C@H](C)C(=O)[O-] 83935028 572459233 /nfs/dbraw/zinc/45/92/33/572459233.db2.gz DCGGKQKUNZRTKY-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CCCN(C)c1cc([C@H](C)O)ccn1 87414420 572459282 /nfs/dbraw/zinc/45/92/82/572459282.db2.gz UOTXUOMXGBVMCE-VIFPVBQESA-N 0 0 194.278 1.981 10 0 ADAERN COC[C@H](NN)[C@@H](C)CC(C)C 308027807 572459300 /nfs/dbraw/zinc/45/93/00/572459300.db2.gz XWPUIMGLZSIGGG-IUCAKERBSA-N 0 0 174.288 1.147 10 0 ADAERN COC(=O)C[C@@H]1CC(=O)C[C@H]1C 196782498 572459360 /nfs/dbraw/zinc/45/93/60/572459360.db2.gz HSZFSSXNQAZSLG-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN C[C@@H]1CC(=O)N([C@H]2CCSC2)[C@@H]1C 687828728 572459377 /nfs/dbraw/zinc/45/93/77/572459377.db2.gz ZMCZSIWDODQLSG-HLTSFMKQSA-N 0 0 199.319 1.749 10 0 ADAERN C[C@]12C(=O)CC[C@@H]1CC[C@@H]2O 196796106 572459390 /nfs/dbraw/zinc/45/93/90/572459390.db2.gz RFWHGYKRXJUNHC-ZKWXMUAHSA-N 0 0 154.209 1.127 10 0 ADAERN Nc1n[nH]cc1C(=O)CCC1CC1 83936009 572459438 /nfs/dbraw/zinc/45/94/38/572459438.db2.gz GBGQMOHRFSDQLU-UHFFFAOYSA-N 0 0 179.223 1.365 10 0 ADAERN Nc1c(Cl)noc1-c1ccccn1 74242945 572459467 /nfs/dbraw/zinc/45/94/67/572459467.db2.gz UWAFFFSGMAXYSF-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN COC(=O)C[C@H]1CC(=O)C[C@H]1C 196782466 572459485 /nfs/dbraw/zinc/45/94/85/572459485.db2.gz HSZFSSXNQAZSLG-RNFRBKRXSA-N 0 0 170.208 1.165 10 0 ADAERN CC(=O)CC[C@@H]1CC(=O)C[C@H]1C 196781961 572459492 /nfs/dbraw/zinc/45/94/92/572459492.db2.gz PLFPEYANYWRYLU-VXNVDRBHSA-N 0 0 168.236 1.971 10 0 ADAERN COC(=O)C[C@H]1CC(=O)C[C@@H]1C 196782484 572459505 /nfs/dbraw/zinc/45/95/05/572459505.db2.gz HSZFSSXNQAZSLG-NKWVEPMBSA-N 0 0 170.208 1.165 10 0 ADAERN CCCN1C(=O)[C@H](CC)N(C)C1=O 44626483 572459521 /nfs/dbraw/zinc/45/95/21/572459521.db2.gz WQCWNGPSEKZKSL-ZETCQYMHSA-N 0 0 184.239 1.069 10 0 ADAERN C/C=C\COc1ccnc(NC)n1 308035475 572463924 /nfs/dbraw/zinc/46/39/24/572463924.db2.gz WXOLKAJBOKOMSY-ARJAWSKDSA-N 0 0 179.223 1.473 10 0 ADAERN C[C@]1(C[C@@]2(O)CCOC2)CC1(F)F 689643717 572459523 /nfs/dbraw/zinc/45/95/23/572459523.db2.gz BATRDKUIBRRXSU-YUMQZZPRSA-N 0 0 192.205 1.573 10 0 ADAERN C[C@@H]1CCCC(=O)N1[C@H]1CCSC1 687828724 572459526 /nfs/dbraw/zinc/45/95/26/572459526.db2.gz VIVNQTPGJUCOFG-BDAKNGLRSA-N 0 0 199.319 1.893 10 0 ADAERN CC[C@H]1C(=O)N(C(C)C)C(=O)N1C 44626534 572459539 /nfs/dbraw/zinc/45/95/39/572459539.db2.gz LQBSNQWWVGXKLI-ZETCQYMHSA-N 0 0 184.239 1.067 10 0 ADAERN Nc1ccccc1[C@H]1CCOCO1 196785460 572459540 /nfs/dbraw/zinc/45/95/40/572459540.db2.gz QDQFDZZEIYBXJL-SNVBAGLBSA-N 0 0 179.219 1.704 10 0 ADAERN O=C1CC[C@@H](CC(F)(F)F)N1 687828768 572459541 /nfs/dbraw/zinc/45/95/41/572459541.db2.gz OLQLJAITAYBAAR-BYPYZUCNSA-N 0 0 167.130 1.217 10 0 ADAERN CC1(C[C@@H](NN)[C@@H]2CCCOC2)CC1 687824221 572459572 /nfs/dbraw/zinc/45/95/72/572459572.db2.gz XVSSDMMITIUXEU-NXEZZACHSA-N 0 0 198.310 1.435 10 0 ADAERN Cc1cnnc(Nc2ccn(C)n2)c1 235925714 572459819 /nfs/dbraw/zinc/45/98/19/572459819.db2.gz YIICOPBOWPOAQI-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN CSCCN1CCC(=O)C[C@@H]1C 69012039 572464201 /nfs/dbraw/zinc/46/42/01/572464201.db2.gz WXOZOYJAPFWKFA-QMMMGPOBSA-N 0 0 187.308 1.403 10 0 ADAERN CCOC(=O)[C@@H](N)CCC1CC1 83926806 572459632 /nfs/dbraw/zinc/45/96/32/572459632.db2.gz RUSNOLSLPQKTMI-QMMMGPOBSA-N 0 0 171.240 1.067 10 0 ADAERN CCO[C@@H](C)c1ncc(CO)s1 83942989 572459646 /nfs/dbraw/zinc/45/96/46/572459646.db2.gz GFWHXUWJSIJAJY-LURJTMIESA-N 0 0 187.264 1.733 10 0 ADAERN CCCN(C)c1cc([C@@H](C)O)ccn1 87414419 572459808 /nfs/dbraw/zinc/45/98/08/572459808.db2.gz UOTXUOMXGBVMCE-SECBINFHSA-N 0 0 194.278 1.981 10 0 ADAERN CCn1nccc1C(=O)C(C)C 69024050 572464212 /nfs/dbraw/zinc/46/42/12/572464212.db2.gz PSQPERWSLPCRSR-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN CCOC(=O)C[C@H]1CC[C@H](O)C1 238254545 572460834 /nfs/dbraw/zinc/46/08/34/572460834.db2.gz WJNRQNDTZCXQCZ-YUMQZZPRSA-N 0 0 172.224 1.101 10 0 ADAERN CCC(=O)O[C@H](C)C[C@@H](O)CC 308028617 572459716 /nfs/dbraw/zinc/45/97/16/572459716.db2.gz YHGMNKBJKQPUQV-SFYZADRCSA-N 0 0 174.240 1.489 10 0 ADAERN CCC(=O)O[C@@H](C)C[C@H](O)CC 308028612 572459754 /nfs/dbraw/zinc/45/97/54/572459754.db2.gz YHGMNKBJKQPUQV-JGVFFNPUSA-N 0 0 174.240 1.489 10 0 ADAERN Nc1c(-c2cnoc2)ccnc1Cl 74242944 572459758 /nfs/dbraw/zinc/45/97/58/572459758.db2.gz KTQNRLPIFWSSDC-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CCC[C@@H](O)C=C=CC(=O)OCC 238254388 572459824 /nfs/dbraw/zinc/45/98/24/572459824.db2.gz LMYNOELOZDPTMZ-OLAZFDQMSA-N 0 0 184.235 1.422 10 0 ADAERN CC1(C[C@H](NN)[C@H]2CCCOC2)CC1 687824222 572459844 /nfs/dbraw/zinc/45/98/44/572459844.db2.gz XVSSDMMITIUXEU-UWVGGRQHSA-N 0 0 198.310 1.435 10 0 ADAERN CCCC[C@]1(CC)CCC(=O)N[C@@H]1O 238255919 572459931 /nfs/dbraw/zinc/45/99/31/572459931.db2.gz NQYAZIAUSKRMIY-GHMZBOCLSA-N 0 0 199.294 1.801 10 0 ADAERN CCCC(=O)[C@H](CCC)NC=O 238255794 572459968 /nfs/dbraw/zinc/45/99/68/572459968.db2.gz SODRZVKJROKFMB-QMMMGPOBSA-N 0 0 171.240 1.270 10 0 ADAERN Cn1ccc(C(=O)CCC2CC2)n1 83935955 572460845 /nfs/dbraw/zinc/46/08/45/572460845.db2.gz KJKLIAZTQXWWCD-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN CCC(=O)O[C@@H](C)C[C@@H](O)CC 308028623 572459999 /nfs/dbraw/zinc/45/99/99/572459999.db2.gz YHGMNKBJKQPUQV-YUMQZZPRSA-N 0 0 174.240 1.489 10 0 ADAERN CCC[C@H](NC(=O)OCC)OCC 238254213 572460027 /nfs/dbraw/zinc/46/00/27/572460027.db2.gz KXEGWAXZQCUJIN-MRVPVSSYSA-N 0 0 189.255 1.895 10 0 ADAERN CCN(CC)NC[C@H](C)C(C)=O 238253725 572460046 /nfs/dbraw/zinc/46/00/46/572460046.db2.gz SECDDCFUSFLLEX-QMMMGPOBSA-N 0 0 172.272 1.058 10 0 ADAERN CCOC(=O)c1cc(CC)ncc1O 238255823 572460074 /nfs/dbraw/zinc/46/00/74/572460074.db2.gz QGXGBFYNSQJHBK-UHFFFAOYSA-N 0 0 195.218 1.526 10 0 ADAERN CCC[C@@H]([NH2+]CCC1CC1)C(=O)[O-] 83934809 572460091 /nfs/dbraw/zinc/46/00/91/572460091.db2.gz ZVNSMQZOVPMXCU-SECBINFHSA-N 0 0 185.267 1.629 10 0 ADAERN CCC(=O)OCC(=O)[C@@H](C)CC 308028371 572460096 /nfs/dbraw/zinc/46/00/96/572460096.db2.gz HZKBGUDUCMVTPS-ZETCQYMHSA-N 0 0 172.224 1.555 10 0 ADAERN Nc1cnn2c1NC[C@H]1CCCC[C@H]12 236376556 572460098 /nfs/dbraw/zinc/46/00/98/572460098.db2.gz JNPPTDUEADGJJF-VXNVDRBHSA-N 0 0 192.266 1.622 10 0 ADAERN C=C/C(Br)=C\[C@H](C)O 209064170 572460174 /nfs/dbraw/zinc/46/01/74/572460174.db2.gz IPWCPAXCHAWYLC-WHEKYOLUSA-N 0 0 177.041 1.832 10 0 ADAERN CC1(C)Cc2ccsc2C(=O)[C@H]1N 74243186 572460209 /nfs/dbraw/zinc/46/02/09/572460209.db2.gz YLRKMPZLQNNWAW-SECBINFHSA-N 0 0 195.287 1.840 10 0 ADAERN Cc1[nH]nc(C(=O)CN)c1C(C)(C)C 74243451 572460178 /nfs/dbraw/zinc/46/01/78/572460178.db2.gz PGLSLKVMQPIZQK-UHFFFAOYSA-N 0 0 195.266 1.157 10 0 ADAERN CCOc1c(CCO)cccc1OC 238255699 572460181 /nfs/dbraw/zinc/46/01/81/572460181.db2.gz NSFBJFCKTHWULK-UHFFFAOYSA-N 0 0 196.246 1.629 10 0 ADAERN CC[C@@H]1C(=O)N(C(C)C)C(=O)N1C 44626532 572460183 /nfs/dbraw/zinc/46/01/83/572460183.db2.gz LQBSNQWWVGXKLI-SSDOTTSWSA-N 0 0 184.239 1.067 10 0 ADAERN CCOC(=O)c1cc(C)[nH]c1[C@H](C)O 238254076 572460187 /nfs/dbraw/zinc/46/01/87/572460187.db2.gz HYHPEDCPICEBEW-ZETCQYMHSA-N 0 0 197.234 1.553 10 0 ADAERN CCC(=O)OCC(=O)[C@H](C)CC 308028365 572460218 /nfs/dbraw/zinc/46/02/18/572460218.db2.gz HZKBGUDUCMVTPS-SSDOTTSWSA-N 0 0 172.224 1.555 10 0 ADAERN O=C([O-])CC[N@H+](CCC1CC1)C1CC1 83934819 572460242 /nfs/dbraw/zinc/46/02/42/572460242.db2.gz JSLNTUOWLAYDPC-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CC1(C[C@H](NN)[C@@H]2CCCOC2)CC1 687824224 572460283 /nfs/dbraw/zinc/46/02/83/572460283.db2.gz XVSSDMMITIUXEU-ZJUUUORDSA-N 0 0 198.310 1.435 10 0 ADAERN CC[C@H]1COCC(=O)C1 209063284 572460320 /nfs/dbraw/zinc/46/03/20/572460320.db2.gz OJLWPJVIAMYTFM-ZCFIWIBFSA-N 0 0 128.171 1.002 10 0 ADAERN CCC[C@@H](O)C/C=C/C(=O)OC 238253946 572460363 /nfs/dbraw/zinc/46/03/63/572460363.db2.gz RGOQOTJMRBWKPG-RXLGXGPVSA-N 0 0 172.224 1.267 10 0 ADAERN CCN(CC)c1c[nH]c(C(=O)CN)c1 74243445 572460367 /nfs/dbraw/zinc/46/03/67/572460367.db2.gz LLROPQHRNJYAQG-UHFFFAOYSA-N 0 0 195.266 1.002 10 0 ADAERN COC(=O)[C@H](N)/C=C\c1ccccc1 214822393 572460368 /nfs/dbraw/zinc/46/03/68/572460368.db2.gz WBVYIQLNGYDBNF-GQYWMQPJSA-N 0 0 191.230 1.200 10 0 ADAERN CC[N@H+](CCC1CC1)[C@@H](C)CC(=O)[O-] 83935018 572460851 /nfs/dbraw/zinc/46/08/51/572460851.db2.gz RRHHPSQVVNNAHX-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCN(N=O)c1ccccc1C(N)=O 238253451 572460394 /nfs/dbraw/zinc/46/03/94/572460394.db2.gz FZQHUCRWYLYBFP-UHFFFAOYSA-N 0 0 193.206 1.293 10 0 ADAERN C[C@@H]1CC(=O)N([C@@H]2CCSC2)[C@@H]1C 687828730 572460432 /nfs/dbraw/zinc/46/04/32/572460432.db2.gz ZMCZSIWDODQLSG-IWSPIJDZSA-N 0 0 199.319 1.749 10 0 ADAERN CCOC(=O)C[C@H]1CC[C@@H](O)C1 238254468 572460482 /nfs/dbraw/zinc/46/04/82/572460482.db2.gz WJNRQNDTZCXQCZ-JGVFFNPUSA-N 0 0 172.224 1.101 10 0 ADAERN O=C(CCC1CC1)c1cnccn1 83935593 572460506 /nfs/dbraw/zinc/46/05/06/572460506.db2.gz KIAUGUSVEGBWDB-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN CC(C)c1nc(N)nc2c1CCS2 74243171 572460525 /nfs/dbraw/zinc/46/05/25/572460525.db2.gz VJAYPPYRXCYWLO-UHFFFAOYSA-N 0 0 195.291 1.830 10 0 ADAERN O=C(CCC1CC1)[C@@H]1CCCO1 83935963 572460528 /nfs/dbraw/zinc/46/05/28/572460528.db2.gz PIXSTLPRKAVSKA-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN COC(=O)[C@@H](N)/C=C\c1ccccc1 214822491 572460550 /nfs/dbraw/zinc/46/05/50/572460550.db2.gz WBVYIQLNGYDBNF-DMEOUFDRSA-N 0 0 191.230 1.200 10 0 ADAERN CCO[C@@H](C)c1nc(CO)cs1 83942504 572460563 /nfs/dbraw/zinc/46/05/63/572460563.db2.gz LLIOFDFVWIXIPR-LURJTMIESA-N 0 0 187.264 1.733 10 0 ADAERN CCc1nc(N)c2c(n1)CSCC2 74243144 572460577 /nfs/dbraw/zinc/46/05/77/572460577.db2.gz WLOQTIBJOJHOED-UHFFFAOYSA-N 0 0 195.291 1.411 10 0 ADAERN COCCC(=O)CCC1CC1 83935632 572460580 /nfs/dbraw/zinc/46/05/80/572460580.db2.gz LDVNJHWMDMOKBF-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN CCCO[C@](C)(OC)C(C)=O 238253971 572460862 /nfs/dbraw/zinc/46/08/62/572460862.db2.gz CIOSKBHBKGEWDS-QMMMGPOBSA-N 0 0 160.213 1.365 10 0 ADAERN C[C@@H]1CCCC(=O)N1[C@@H]1CCSC1 687828727 572460672 /nfs/dbraw/zinc/46/06/72/572460672.db2.gz VIVNQTPGJUCOFG-RKDXNWHRSA-N 0 0 199.319 1.893 10 0 ADAERN CCc1nc(N)c2c(n1)CCSC2 74243142 572460699 /nfs/dbraw/zinc/46/06/99/572460699.db2.gz WQHUAHIJNWRSGT-UHFFFAOYSA-N 0 0 195.291 1.411 10 0 ADAERN CCC[C@@H](O)CO[C@H]1CCCCO1 238255864 572460718 /nfs/dbraw/zinc/46/07/18/572460718.db2.gz ZREPOEXAZPBUDJ-ZJUUUORDSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@H]1CCCC(=O)N1[C@@H]1CCSC1 687828725 572460745 /nfs/dbraw/zinc/46/07/45/572460745.db2.gz VIVNQTPGJUCOFG-DTWKUNHWSA-N 0 0 199.319 1.893 10 0 ADAERN O=C(CCC1CC1)[C@@H]1COCCO1 83935987 572460752 /nfs/dbraw/zinc/46/07/52/572460752.db2.gz LTILIMUPUIRVEL-JTQLQIEISA-N 0 0 184.235 1.161 10 0 ADAERN CCO[C@@H](C)n1nc(C=O)cc1C=O 238254381 572460755 /nfs/dbraw/zinc/46/07/55/572460755.db2.gz HIAIUMMXYSPQIF-ZETCQYMHSA-N 0 0 196.206 1.063 10 0 ADAERN Cn1c(C=O)nc2ccc(F)c(F)c21 74242912 572460764 /nfs/dbraw/zinc/46/07/64/572460764.db2.gz VQYACCOPNODNGF-UHFFFAOYSA-N 0 0 196.156 1.664 10 0 ADAERN Nc1noc(CCc2cccs2)n1 74244439 572461041 /nfs/dbraw/zinc/46/10/41/572461041.db2.gz IORWLUTXVMJDGO-UHFFFAOYSA-N 0 0 195.247 1.499 10 0 ADAERN C=C1NC(=O)N(c2ccccc2)C1=O 69058492 572461129 /nfs/dbraw/zinc/46/11/29/572461129.db2.gz AUGKRZSBLMVQKU-UHFFFAOYSA-N 0 0 188.186 1.257 10 0 ADAERN C[C@H](N)c1ncc(-c2cscn2)o1 74244445 572461196 /nfs/dbraw/zinc/46/11/96/572461196.db2.gz PVXSWQRTPXSWOR-YFKPBYRVSA-N 0 0 195.247 1.818 10 0 ADAERN CC1(C[C@@H](NN)[C@H]2CCCOC2)CC1 687824223 572461252 /nfs/dbraw/zinc/46/12/52/572461252.db2.gz XVSSDMMITIUXEU-VHSXEESVSA-N 0 0 198.310 1.435 10 0 ADAERN COc1nc(CN)oc1C(F)(F)F 74242929 572461276 /nfs/dbraw/zinc/46/12/76/572461276.db2.gz LZPHBONHUNYYPU-UHFFFAOYSA-N 0 0 196.128 1.161 10 0 ADAERN NCc1ncc(Cc2cncs2)o1 74244457 572461305 /nfs/dbraw/zinc/46/13/05/572461305.db2.gz HUWZEWUZQREGNS-UHFFFAOYSA-N 0 0 195.247 1.181 10 0 ADAERN CCCOCC(=N)OCC 44654616 572468156 /nfs/dbraw/zinc/46/81/56/572468156.db2.gz XXITXRCARDEWBL-UHFFFAOYSA-N 0 0 145.202 1.427 10 0 ADAERN CCOC(=O)C[C@H](O)c1ccc(C)o1 238253638 572461481 /nfs/dbraw/zinc/46/14/81/572461481.db2.gz LTLAEXGFRRRIAI-QMMMGPOBSA-N 0 0 198.218 1.575 10 0 ADAERN CC(C)C[C@H]([NH2+]CCC1CC1)C(=O)[O-] 83934908 572461502 /nfs/dbraw/zinc/46/15/02/572461502.db2.gz SWAJFJUZYBVAEP-JTQLQIEISA-N 0 0 199.294 1.875 10 0 ADAERN COC(=O)[C@H](N)/C=C/c1ccccc1 214822439 572461523 /nfs/dbraw/zinc/46/15/23/572461523.db2.gz WBVYIQLNGYDBNF-QROSGCPLSA-N 0 0 191.230 1.200 10 0 ADAERN CC[C@@]1(C)CCC[C@@H](O)C1=O 209063933 572461529 /nfs/dbraw/zinc/46/15/29/572461529.db2.gz KJFJWJIDUONWSW-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN CCN(CC)NC(=S)NC(C)C 238253666 572461540 /nfs/dbraw/zinc/46/15/40/572461540.db2.gz YABQFAUMYUQSBG-UHFFFAOYSA-N 0 0 189.328 1.116 10 0 ADAERN CCOC(=O)c1cc(C)ccc1C=O 238254629 572461597 /nfs/dbraw/zinc/46/15/97/572461597.db2.gz NQLNPVCVSZZXTA-UHFFFAOYSA-N 0 0 192.214 1.984 10 0 ADAERN Cn1ccnc1[C@H](O)[C@@H]1CC=CCC1 69028398 572462292 /nfs/dbraw/zinc/46/22/92/572462292.db2.gz OWUQOXXWEQNEMC-NXEZZACHSA-N 0 0 192.262 1.810 10 0 ADAERN CCOC(=O)C[C@H]1CCC(=S)N1 238253835 572461639 /nfs/dbraw/zinc/46/16/39/572461639.db2.gz WNTFMBBQUSUYFT-ZCFIWIBFSA-N 0 0 187.264 1.019 10 0 ADAERN Cc1ncc(-c2onc(C)c2N)s1 74244447 572461646 /nfs/dbraw/zinc/46/16/46/572461646.db2.gz ZURCFZRVRFBXBZ-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cn1cc(C(=O)CCC2CC2)cn1 83935952 572461678 /nfs/dbraw/zinc/46/16/78/572461678.db2.gz JJSDXPCSCPQQRH-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN CC[C@]1(C)CCC[C@H](O)C1=O 209063870 572461691 /nfs/dbraw/zinc/46/16/91/572461691.db2.gz KJFJWJIDUONWSW-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN Cc1[nH+]cc(C(=O)[O-])n1CCC1CC1 83927055 572461699 /nfs/dbraw/zinc/46/16/99/572461699.db2.gz JMKBTHXHIOUDQJ-UHFFFAOYSA-N 0 0 194.234 1.690 10 0 ADAERN O=C(CCC1CC1)[C@H]1COCCO1 83935990 572461712 /nfs/dbraw/zinc/46/17/12/572461712.db2.gz LTILIMUPUIRVEL-SNVBAGLBSA-N 0 0 184.235 1.161 10 0 ADAERN CCCC[C@]1(CC)CCC(=O)N[C@H]1O 238255930 572461569 /nfs/dbraw/zinc/46/15/69/572461569.db2.gz NQYAZIAUSKRMIY-WDEREUQCSA-N 0 0 199.294 1.801 10 0 ADAERN CC[C@H](NC)C(=O)OC1CCCCC1 44626781 572461589 /nfs/dbraw/zinc/46/15/89/572461589.db2.gz SSJVRUQSDBIFIL-JTQLQIEISA-N 0 0 199.294 1.860 10 0 ADAERN CCCN(Cc1ccc[nH]1)C(C)=O 238254344 572461789 /nfs/dbraw/zinc/46/17/89/572461789.db2.gz FPNIECUCZASJNY-UHFFFAOYSA-N 0 0 180.251 1.773 10 0 ADAERN Nc1cc(-c2cnoc2)cc(Cl)n1 74242946 572461793 /nfs/dbraw/zinc/46/17/93/572461793.db2.gz JSUJSYXXZJWOMT-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Cn1nccc1[C@H](O)C(C)(C)C 69019594 572461806 /nfs/dbraw/zinc/46/18/06/572461806.db2.gz LCYKAHVDXGFJHH-QMMMGPOBSA-N 0 0 168.240 1.500 10 0 ADAERN CC(C)CC[C@H](O)c1ccnn1C 69020036 572461866 /nfs/dbraw/zinc/46/18/66/572461866.db2.gz ZQIWTYXEIHWJHB-JTQLQIEISA-N 0 0 182.267 1.890 10 0 ADAERN CCN(CC)OCCC(C)=O 238253840 572461875 /nfs/dbraw/zinc/46/18/75/572461875.db2.gz JCFLFLHYRHHKMD-UHFFFAOYSA-N 0 0 159.229 1.239 10 0 ADAERN CC[C@@H](C)[C@H](O)c1ccnn1C 69019410 572461932 /nfs/dbraw/zinc/46/19/32/572461932.db2.gz GNNXCHZUSBTYIS-APPZFPTMSA-N 0 0 168.240 1.500 10 0 ADAERN CCC[C@@H](O)COCOCC 238255837 572461927 /nfs/dbraw/zinc/46/19/27/572461927.db2.gz KXJFQXXKLMQUGF-MRVPVSSYSA-N 0 0 162.229 1.158 10 0 ADAERN OC/C=C(\Cl)Br 200420637 572461941 /nfs/dbraw/zinc/46/19/41/572461941.db2.gz WBNCPBOAJXBTRH-IWQZZHSRSA-N 0 0 171.421 1.454 10 0 ADAERN CCOC(=O)c1cc(C)[nH]c1C=O 238254044 572461969 /nfs/dbraw/zinc/46/19/69/572461969.db2.gz YDSRJOYRBFWCCI-UHFFFAOYSA-N 0 0 181.191 1.312 10 0 ADAERN O=C1CC[C@H](CC(F)(F)F)N1 687828769 572461977 /nfs/dbraw/zinc/46/19/77/572461977.db2.gz OLQLJAITAYBAAR-SCSAIBSYSA-N 0 0 167.130 1.217 10 0 ADAERN CSCCCn1cnnc1Cl 69015187 572462050 /nfs/dbraw/zinc/46/20/50/572462050.db2.gz XTXSOWSLWNEKPR-UHFFFAOYSA-N 0 0 191.687 1.685 10 0 ADAERN CC[C@H](C)[C@H](O)c1ccnn1C 69019413 572462062 /nfs/dbraw/zinc/46/20/62/572462062.db2.gz GNNXCHZUSBTYIS-CBAPKCEASA-N 0 0 168.240 1.500 10 0 ADAERN CCOC1=CC(=O)N[C@@H]1CC(C)C 238253475 572462313 /nfs/dbraw/zinc/46/23/13/572462313.db2.gz HOLVOLDYRSXEBD-MRVPVSSYSA-N 0 0 183.251 1.451 10 0 ADAERN CCn1ccnc1[C@@](C)(O)CC 69030948 572462241 /nfs/dbraw/zinc/46/22/41/572462241.db2.gz DXWRCSIHGIZRSC-VIFPVBQESA-N 0 0 168.240 1.521 10 0 ADAERN CCn1ccnc1[C@H](O)C(C)(C)C 69032025 572462254 /nfs/dbraw/zinc/46/22/54/572462254.db2.gz ROAXBEPTMFEKBX-QMMMGPOBSA-N 0 0 182.267 1.983 10 0 ADAERN Nc1cc(-c2ccon2)cc(Cl)n1 74242949 572462262 /nfs/dbraw/zinc/46/22/62/572462262.db2.gz WXMOJWMGSKRRJP-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN C[C@H]1CCCC(=O)N1[C@H]1CCSC1 687828726 572462266 /nfs/dbraw/zinc/46/22/66/572462266.db2.gz VIVNQTPGJUCOFG-IUCAKERBSA-N 0 0 199.319 1.893 10 0 ADAERN Nc1cc(Cl)cc(-c2cnoc2)n1 74242950 572462270 /nfs/dbraw/zinc/46/22/70/572462270.db2.gz BSTWQYAHBDTHEN-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CC[C@@H]1CC[C@H](CO)N2C(=O)CC[C@H]12 209065385 572462317 /nfs/dbraw/zinc/46/23/17/572462317.db2.gz QDAZZIFGFZZXFK-OPRDCNLKSA-N 0 0 197.278 1.158 10 0 ADAERN Cn1ccnc1[C@H](O)C[C@H]1CCCO1 69028778 572462319 /nfs/dbraw/zinc/46/23/19/572462319.db2.gz RZQLRFGMUODAQU-RKDXNWHRSA-N 0 0 196.250 1.023 10 0 ADAERN Cc1nc(CNCC2(C)CC2)no1 235928133 572462322 /nfs/dbraw/zinc/46/23/22/572462322.db2.gz MBIPUWCZUUTYOL-UHFFFAOYSA-N 0 0 181.239 1.268 10 0 ADAERN CSCCN1CCC(=O)C[C@H]1C 69012038 572462344 /nfs/dbraw/zinc/46/23/44/572462344.db2.gz WXOZOYJAPFWKFA-MRVPVSSYSA-N 0 0 187.308 1.403 10 0 ADAERN Cn1nccc1C(=O)C[C@@H]1CCCO1 69019663 572462354 /nfs/dbraw/zinc/46/23/54/572462354.db2.gz YJDQYMVPBDUSJF-QMMMGPOBSA-N 0 0 194.234 1.172 10 0 ADAERN CC[C@](C)(O)c1nccn1C 69027822 572462359 /nfs/dbraw/zinc/46/23/59/572462359.db2.gz SUYZWKOKDUPKIY-QMMMGPOBSA-N 0 0 154.213 1.038 10 0 ADAERN C/C=C/C[C@@H](O)CC(=O)OCC 238253416 572462366 /nfs/dbraw/zinc/46/23/66/572462366.db2.gz LAPBBAQGVJHFFX-RYEJSQLPSA-N 0 0 172.224 1.267 10 0 ADAERN CSC[C@H](C)CNC#N 69011573 572462376 /nfs/dbraw/zinc/46/23/76/572462376.db2.gz GMKHSNQFIWLNQG-ZCFIWIBFSA-N 0 0 144.243 1.056 10 0 ADAERN Cc1nc(CNCC2(C)CCC2)no1 235928161 572462398 /nfs/dbraw/zinc/46/23/98/572462398.db2.gz WFGIUZLESBGPRI-UHFFFAOYSA-N 0 0 195.266 1.658 10 0 ADAERN CC(C)[C@](C)(O)c1nccn1C 69027839 572462408 /nfs/dbraw/zinc/46/24/08/572462408.db2.gz RFHIIMWAQLVZRO-VIFPVBQESA-N 0 0 168.240 1.284 10 0 ADAERN Cn1ncc(C(=O)CCC2CC2)c1N 83935999 572462421 /nfs/dbraw/zinc/46/24/21/572462421.db2.gz FPJRNZVOGNSMOX-UHFFFAOYSA-N 0 0 193.250 1.375 10 0 ADAERN CC[C@@](O)(c1ccnn1C)C(C)C 69019099 572462424 /nfs/dbraw/zinc/46/24/24/572462424.db2.gz VSYOPEMJHFAEAZ-JTQLQIEISA-N 0 0 182.267 1.674 10 0 ADAERN CCCOCc1nc(CO)cs1 83942571 572462463 /nfs/dbraw/zinc/46/24/63/572462463.db2.gz WDYKHZAPZHFNSC-UHFFFAOYSA-N 0 0 187.264 1.562 10 0 ADAERN CCC[C@@H](O)CC(=O)C1CC1 238254643 572462472 /nfs/dbraw/zinc/46/24/72/572462472.db2.gz AWXKEWPQPLMVLG-MRVPVSSYSA-N 0 0 156.225 1.517 10 0 ADAERN CCO[C@H](C)c1nc(CO)cs1 83942508 572462499 /nfs/dbraw/zinc/46/24/99/572462499.db2.gz LLIOFDFVWIXIPR-ZCFIWIBFSA-N 0 0 187.264 1.733 10 0 ADAERN Cc1[nH]c(=O)n(C2CCCCC2)c1N 74244089 572463237 /nfs/dbraw/zinc/46/32/37/572463237.db2.gz WVMSSUDTTLGNDG-UHFFFAOYSA-N 0 0 195.266 1.985 10 0 ADAERN Cc1ccc([C@H](O)c2ccnn2C)o1 69019183 572462540 /nfs/dbraw/zinc/46/25/40/572462540.db2.gz XGEHMGUEWONTMT-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN Cn1nccc1[C@H](O)c1ccsc1 69019220 572462566 /nfs/dbraw/zinc/46/25/66/572462566.db2.gz XMKCRGSASIUKFU-SECBINFHSA-N 0 0 194.259 1.563 10 0 ADAERN O=C(CCC1CC1)[C@@H]1CCOC1 83935967 572462571 /nfs/dbraw/zinc/46/25/71/572462571.db2.gz TWGCKBIDYGXHSR-SECBINFHSA-N 0 0 168.236 1.782 10 0 ADAERN O=C(CCC1CC1)c1nc[nH]n1 83935994 572462575 /nfs/dbraw/zinc/46/25/75/572462575.db2.gz QNTRPEUQJWZWQI-UHFFFAOYSA-N 0 0 165.196 1.178 10 0 ADAERN CCC[C@@H](O)C(=O)[C@H](F)CCC 238253605 572462591 /nfs/dbraw/zinc/46/25/91/572462591.db2.gz GSYHZZKDKRCWKT-HTQZYQBOSA-N 0 0 176.231 1.855 10 0 ADAERN CCC[C@@H](O)CO[C@@H]1CCCCO1 238255856 572462609 /nfs/dbraw/zinc/46/26/09/572462609.db2.gz ZREPOEXAZPBUDJ-NXEZZACHSA-N 0 0 188.267 1.691 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@@H]1CC=CCC1 69028405 572462626 /nfs/dbraw/zinc/46/26/26/572462626.db2.gz OWUQOXXWEQNEMC-ZJUUUORDSA-N 0 0 192.262 1.810 10 0 ADAERN CCC[C@H]([NH2+]CCC1CC1)C(=O)[O-] 83934805 572462630 /nfs/dbraw/zinc/46/26/30/572462630.db2.gz ZVNSMQZOVPMXCU-VIFPVBQESA-N 0 0 185.267 1.629 10 0 ADAERN COCCCc1ncc(CO)s1 83943190 572462664 /nfs/dbraw/zinc/46/26/64/572462664.db2.gz SDVAEFTZQHLQMJ-UHFFFAOYSA-N 0 0 187.264 1.214 10 0 ADAERN CCn1nccc1[C@@H](O)c1ccco1 69022966 572462688 /nfs/dbraw/zinc/46/26/88/572462688.db2.gz GKQMJJHVXSYILD-SNVBAGLBSA-N 0 0 192.218 1.578 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@H]1CC=CCC1 69028394 572463248 /nfs/dbraw/zinc/46/32/48/572463248.db2.gz OWUQOXXWEQNEMC-UWVGGRQHSA-N 0 0 192.262 1.810 10 0 ADAERN Cc1scnc1-c1cnc(CN)o1 74244458 572462718 /nfs/dbraw/zinc/46/27/18/572462718.db2.gz BFCXAASPLCZHJG-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN CCn1ccnc1[C@](C)(O)CC 69030954 572462736 /nfs/dbraw/zinc/46/27/36/572462736.db2.gz DXWRCSIHGIZRSC-SECBINFHSA-N 0 0 168.240 1.521 10 0 ADAERN Cn1nccc1[C@@H](O)CC(F)(F)F 69020009 572462794 /nfs/dbraw/zinc/46/27/94/572462794.db2.gz KAUGTIPMYBVQJL-LURJTMIESA-N 0 0 194.156 1.406 10 0 ADAERN CCOC(=O)c1cc(C)[nH]c1[C@@H](C)O 238254065 572462799 /nfs/dbraw/zinc/46/27/99/572462799.db2.gz HYHPEDCPICEBEW-SSDOTTSWSA-N 0 0 197.234 1.553 10 0 ADAERN CC[C@@H](CO)[C@@H](CC)C(C)(C)O 207453789 572462805 /nfs/dbraw/zinc/46/28/05/572462805.db2.gz BVHIDUIGOJWNJL-DTWKUNHWSA-N 0 0 174.284 1.802 10 0 ADAERN C/C=C\COc1nc(N)ncc1C 308035184 572462836 /nfs/dbraw/zinc/46/28/36/572462836.db2.gz WQFGVHDKVJVOCG-ARJAWSKDSA-N 0 0 179.223 1.322 10 0 ADAERN CCC[C@@H](O)C(=O)NC(C)(C)C 238253501 572462841 /nfs/dbraw/zinc/46/28/41/572462841.db2.gz AVIJGCWTWDKWOZ-SSDOTTSWSA-N 0 0 173.256 1.062 10 0 ADAERN CCn1nccc1C(=O)C(F)(F)F 69024336 572462844 /nfs/dbraw/zinc/46/28/44/572462844.db2.gz XQTSWJDLOKNBNE-UHFFFAOYSA-N 0 0 192.140 1.648 10 0 ADAERN CCn1nccc1[C@@](C)(O)C1CC1 69022644 572462850 /nfs/dbraw/zinc/46/28/50/572462850.db2.gz HWSMQRJRQXPNOX-JTQLQIEISA-N 0 0 180.251 1.521 10 0 ADAERN CSCCCN1CCC(=O)C1 69011953 572462874 /nfs/dbraw/zinc/46/28/74/572462874.db2.gz GYBVOUIPGZFRHX-UHFFFAOYSA-N 0 0 173.281 1.014 10 0 ADAERN CCn1nccc1[C@@](C)(O)CC 69022605 572462902 /nfs/dbraw/zinc/46/29/02/572462902.db2.gz SXOPQYJJZZDXFD-VIFPVBQESA-N 0 0 168.240 1.521 10 0 ADAERN CCCO[P@](C)(=O)CCC(N)=O 238254429 572462903 /nfs/dbraw/zinc/46/29/03/572462903.db2.gz HXGMGNNQBRAZMV-LBPRGKRZSA-N 0 0 193.183 1.196 10 0 ADAERN Cn1nccc1[C@@](C)(O)C1CC1 69019066 572462907 /nfs/dbraw/zinc/46/29/07/572462907.db2.gz LPUATJSQCCXKGI-VIFPVBQESA-N 0 0 166.224 1.038 10 0 ADAERN Cn1nccc1[C@@H](O)C(C)(C)C 69019591 572462938 /nfs/dbraw/zinc/46/29/38/572462938.db2.gz LCYKAHVDXGFJHH-MRVPVSSYSA-N 0 0 168.240 1.500 10 0 ADAERN CCOC(=O)c1cc(C)c(CO)cn1 238254261 572462939 /nfs/dbraw/zinc/46/29/39/572462939.db2.gz CDFZVRYRMGAQDM-UHFFFAOYSA-N 0 0 195.218 1.059 10 0 ADAERN Cn1ccnc1[C@H](O)CC(F)(F)F 69028850 572462966 /nfs/dbraw/zinc/46/29/66/572462966.db2.gz BSEOEDWDQNOPAG-RXMQYKEDSA-N 0 0 194.156 1.406 10 0 ADAERN Cn1ccnc1[C@H](O)C[C@@H]1CCCO1 69028772 572463007 /nfs/dbraw/zinc/46/30/07/572463007.db2.gz RZQLRFGMUODAQU-DTWKUNHWSA-N 0 0 196.250 1.023 10 0 ADAERN C=C=C[C@@](O)(CCCC)C(C)=O 238254253 572463008 /nfs/dbraw/zinc/46/30/08/572463008.db2.gz LVEKCUAUHNKCRU-SNVBAGLBSA-N 0 0 168.236 1.838 10 0 ADAERN CC[C@H](C)ONC(=S)NC1CC1 308035190 572463066 /nfs/dbraw/zinc/46/30/66/572463066.db2.gz KEPZTWFGXYKBLJ-LURJTMIESA-N 0 0 188.296 1.343 10 0 ADAERN CCCn1ccnc1[C@H](O)C(C)C 69031606 572463137 /nfs/dbraw/zinc/46/31/37/572463137.db2.gz JKYOTHPJQCEOEB-SECBINFHSA-N 0 0 182.267 1.983 10 0 ADAERN CC[C@H](C)[C@@H](O)c1ccnn1C 69019417 572463157 /nfs/dbraw/zinc/46/31/57/572463157.db2.gz GNNXCHZUSBTYIS-IONNQARKSA-N 0 0 168.240 1.500 10 0 ADAERN CC(C)[C@@H](O)c1ccnn1C 69019282 572463172 /nfs/dbraw/zinc/46/31/72/572463172.db2.gz ZOUIBKCVJILGAQ-MRVPVSSYSA-N 0 0 154.213 1.110 10 0 ADAERN C=CS(=O)(=O)N(C)C[C@H]1C[C@H]1C 308035906 572463178 /nfs/dbraw/zinc/46/31/78/572463178.db2.gz KJRKKLFBYVTDGN-HTQZYQBOSA-N 0 0 189.280 1.048 10 0 ADAERN Cn1nccc1[C@](C)(O)C1CC1 69019069 572463218 /nfs/dbraw/zinc/46/32/18/572463218.db2.gz LPUATJSQCCXKGI-SECBINFHSA-N 0 0 166.224 1.038 10 0 ADAERN Cn1ccnc1[C@@H](O)C[C@H]1CCCO1 69028784 572463285 /nfs/dbraw/zinc/46/32/85/572463285.db2.gz RZQLRFGMUODAQU-BDAKNGLRSA-N 0 0 196.250 1.023 10 0 ADAERN CC[C@](C)(O)[C@H]([NH3+])c1ccccc1F 74239725 572463293 /nfs/dbraw/zinc/46/32/93/572463293.db2.gz GTSAMWIRMVFXON-MNOVXSKESA-N 0 0 197.253 1.987 10 0 ADAERN CSC[C@@H](C)CNC#N 69011572 572463304 /nfs/dbraw/zinc/46/33/04/572463304.db2.gz GMKHSNQFIWLNQG-LURJTMIESA-N 0 0 144.243 1.056 10 0 ADAERN Cn1nccc1[C@@H](O)c1ccco1 69019202 572463364 /nfs/dbraw/zinc/46/33/64/572463364.db2.gz KGGKHZOBHUOQRW-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN Cc1nnc([C@@H](N)CC2CCCC2)o1 74244116 572463395 /nfs/dbraw/zinc/46/33/95/572463395.db2.gz IFYMADSTXJWUIF-VIFPVBQESA-N 0 0 195.266 1.958 10 0 ADAERN C[NH2+][C@@H](c1cnn(C)c1)C1CSC1 404899521 572463439 /nfs/dbraw/zinc/46/34/39/572463439.db2.gz AGCJUIAKCFXCIQ-VIFPVBQESA-N 0 0 197.307 1.044 10 0 ADAERN CCn1ccnc1[C@@H](O)C(C)(C)C 69032028 572463441 /nfs/dbraw/zinc/46/34/41/572463441.db2.gz ROAXBEPTMFEKBX-MRVPVSSYSA-N 0 0 182.267 1.983 10 0 ADAERN Cn1nccc1[C@H](O)CC(F)(F)F 69020004 572464058 /nfs/dbraw/zinc/46/40/58/572464058.db2.gz KAUGTIPMYBVQJL-ZCFIWIBFSA-N 0 0 194.156 1.406 10 0 ADAERN Cc1ccc(N)cc1-c1nccn1C 69027643 572463494 /nfs/dbraw/zinc/46/34/94/572463494.db2.gz SLNHQSUQASJBAW-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCC(O)(CC)c1nccn1C 69027832 572463528 /nfs/dbraw/zinc/46/35/28/572463528.db2.gz IDCKJFUDLWCGAU-UHFFFAOYSA-N 0 0 168.240 1.428 10 0 ADAERN Cc1ccc([C@@H](O)c2ccnn2C)o1 69019186 572463583 /nfs/dbraw/zinc/46/35/83/572463583.db2.gz XGEHMGUEWONTMT-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN CCc1nc2c(s1)C(=O)C[C@H](O)C2 74239634 572463587 /nfs/dbraw/zinc/46/35/87/572463587.db2.gz CJGZSLKAGVGHSS-RXMQYKEDSA-N 0 0 197.259 1.195 10 0 ADAERN CC[C@@H](C(=O)OC)c1ccnn1C 69021153 572463593 /nfs/dbraw/zinc/46/35/93/572463593.db2.gz COBICCXTAQZTGS-SSDOTTSWSA-N 0 0 182.223 1.087 10 0 ADAERN CC(C)[C@H](O)c1ccnn1C 69019279 572463635 /nfs/dbraw/zinc/46/36/35/572463635.db2.gz ZOUIBKCVJILGAQ-QMMMGPOBSA-N 0 0 154.213 1.110 10 0 ADAERN Cn1ccnc1[C@@H](O)C[C@@H]1CCCO1 69028775 572463640 /nfs/dbraw/zinc/46/36/40/572463640.db2.gz RZQLRFGMUODAQU-IUCAKERBSA-N 0 0 196.250 1.023 10 0 ADAERN O=C(CC1CCOCC1)C(F)(F)F 61893734 572463641 /nfs/dbraw/zinc/46/36/41/572463641.db2.gz MKLADTFZWVONDR-UHFFFAOYSA-N 0 0 196.168 1.935 10 0 ADAERN Cc1ocnc1[C@H]1CCCCCN1N 74244130 572463656 /nfs/dbraw/zinc/46/36/56/572463656.db2.gz UYRGYDIOKFLCAA-SECBINFHSA-N 0 0 195.266 1.774 10 0 ADAERN CCn1nccc1[C@H](O)C(C)C 69023107 572463694 /nfs/dbraw/zinc/46/36/94/572463694.db2.gz IPYKQMQOYSRSDS-SECBINFHSA-N 0 0 168.240 1.592 10 0 ADAERN CC[C@H](C(=O)OC)c1nccn1CC 69031364 572463748 /nfs/dbraw/zinc/46/37/48/572463748.db2.gz QWTCOFCAJFLXCC-QMMMGPOBSA-N 0 0 196.250 1.570 10 0 ADAERN Cc1cc(N)ccc1-c1ccnn1C 69019996 572463781 /nfs/dbraw/zinc/46/37/81/572463781.db2.gz PPPBVNGWODEBFI-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC(C)[C@H](CO)Cc1nccs1 87398491 572463803 /nfs/dbraw/zinc/46/38/03/572463803.db2.gz DKLPPTRZZRUJSH-QMMMGPOBSA-N 0 0 185.292 1.950 10 0 ADAERN Cc1ccc(N)cc1-c1ccnn1C 69019977 572463857 /nfs/dbraw/zinc/46/38/57/572463857.db2.gz ZOSZYOHYSZHRLX-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1nccc1[C@H](O)[C@@H]1CC=CCC1 69019526 572463863 /nfs/dbraw/zinc/46/38/63/572463863.db2.gz KZJDMVAWAKPWNT-MWLCHTKSSA-N 0 0 192.262 1.810 10 0 ADAERN COC[C@](C)(O)Cc1ccncc1 83950633 572463880 /nfs/dbraw/zinc/46/38/80/572463880.db2.gz GANZXQSRIQHGOV-SNVBAGLBSA-N 0 0 181.235 1.022 10 0 ADAERN Cn1nccc1[C@@H](O)c1ccoc1 69019440 572463898 /nfs/dbraw/zinc/46/38/98/572463898.db2.gz VDHRDABNKKSPOW-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN Cn1nccc1[C@@H](O)c1ccsc1 69019223 572463945 /nfs/dbraw/zinc/46/39/45/572463945.db2.gz XMKCRGSASIUKFU-VIFPVBQESA-N 0 0 194.259 1.563 10 0 ADAERN CCOC(=O)Cc1[nH]cc(C)c1CC 238256535 572464402 /nfs/dbraw/zinc/46/44/02/572464402.db2.gz SCACAPXPTBUYJB-UHFFFAOYSA-N 0 0 195.262 1.991 10 0 ADAERN O=Cc1cc(C2CCOCC2)ns1 74239680 572463998 /nfs/dbraw/zinc/46/39/98/572463998.db2.gz UTZSTNCRZPGHEC-UHFFFAOYSA-N 0 0 197.259 1.850 10 0 ADAERN COC(=O)CN[C@@H]1CCCCC[C@H]1C 83949247 572464404 /nfs/dbraw/zinc/46/44/04/572464404.db2.gz KRGAEPWELRNIDH-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN Cn1nccc1[C@@H](O)[C@H]1CC=CCC1 69019523 572464074 /nfs/dbraw/zinc/46/40/74/572464074.db2.gz KZJDMVAWAKPWNT-ONGXEEELSA-N 0 0 192.262 1.810 10 0 ADAERN CCCC[C@]1(CC)CNC(=O)NC1=O 238256012 572464081 /nfs/dbraw/zinc/46/40/81/572464081.db2.gz FCFRPGCKTURUTN-SNVBAGLBSA-N 0 0 198.266 1.412 10 0 ADAERN CCOC(=O)Cc1c(C)c[nH]c1C=O 238256680 572464107 /nfs/dbraw/zinc/46/41/07/572464107.db2.gz GYXMKIDGOVVLJX-UHFFFAOYSA-N 0 0 195.218 1.241 10 0 ADAERN CCOC(=O)Cc1[nH]cc(C)c1C 238256520 572464112 /nfs/dbraw/zinc/46/41/12/572464112.db2.gz BAZPZTAPFIERGA-UHFFFAOYSA-N 0 0 181.235 1.737 10 0 ADAERN CCC[C@H](N)C(=O)c1nn(C)cc1C 74243876 572464137 /nfs/dbraw/zinc/46/41/37/572464137.db2.gz AUNKQBHENSAFHD-QMMMGPOBSA-N 0 0 195.266 1.039 10 0 ADAERN CCn1nccc1[C@H](N)c1ccco1 69026277 572464162 /nfs/dbraw/zinc/46/41/62/572464162.db2.gz LFIYISROSJVDFH-JTQLQIEISA-N 0 0 191.234 1.544 10 0 ADAERN CC[C@](O)(c1ccnn1C)C(C)C 69019101 572464181 /nfs/dbraw/zinc/46/41/81/572464181.db2.gz VSYOPEMJHFAEAZ-SNVBAGLBSA-N 0 0 182.267 1.674 10 0 ADAERN COC(=O)CN[C@H]1CCCCC[C@@H]1C 83949246 572464203 /nfs/dbraw/zinc/46/42/03/572464203.db2.gz KRGAEPWELRNIDH-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN Cn1nccc1[C@H](O)c1ccco1 69019200 572464217 /nfs/dbraw/zinc/46/42/17/572464217.db2.gz KGGKHZOBHUOQRW-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN CCOC(=O)c1cc(CCO)oc1C 238255997 572464253 /nfs/dbraw/zinc/46/42/53/572464253.db2.gz OHIUFDTWQQMDIC-UHFFFAOYSA-N 0 0 198.218 1.300 10 0 ADAERN CC[C@@H](O)c1ccnn1CC 69023584 572464254 /nfs/dbraw/zinc/46/42/54/572464254.db2.gz FDYRFZNJOSSTPA-MRVPVSSYSA-N 0 0 154.213 1.346 10 0 ADAERN CCn1nccc1[C@@H](O)C1CC1 69023353 572464260 /nfs/dbraw/zinc/46/42/60/572464260.db2.gz HTZMVQXUWWANDV-VIFPVBQESA-N 0 0 166.224 1.346 10 0 ADAERN Nc1nc(Cl)c2cc(O)ccc2n1 214829993 572464270 /nfs/dbraw/zinc/46/42/70/572464270.db2.gz ALIQBOTZOALAIP-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN CC[C@@](C)(O)c1nccn1C 69027827 572464279 /nfs/dbraw/zinc/46/42/79/572464279.db2.gz SUYZWKOKDUPKIY-MRVPVSSYSA-N 0 0 154.213 1.038 10 0 ADAERN CCOC(=O)CC1=CC[C@H](O)C1 238257355 572464287 /nfs/dbraw/zinc/46/42/87/572464287.db2.gz NLIWRRYESQGUAD-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN CCCC[C@@H](CC(C)=O)OC=O 238256324 572464290 /nfs/dbraw/zinc/46/42/90/572464290.db2.gz YPAVUIHMOYACCG-VIFPVBQESA-N 0 0 172.224 1.697 10 0 ADAERN CCOC(=O)CC1=C[C@H](O)CCC1 238257427 572464298 /nfs/dbraw/zinc/46/42/98/572464298.db2.gz BPQIRNMMOMWORT-SECBINFHSA-N 0 0 184.235 1.411 10 0 ADAERN CC[C@](O)(c1nccn1C)C(C)C 69027904 572464301 /nfs/dbraw/zinc/46/43/01/572464301.db2.gz STSXFDPAYFUGHJ-SNVBAGLBSA-N 0 0 182.267 1.674 10 0 ADAERN CC[C@@](C)(O)[C@@H]([NH3+])c1ccccc1F 74239729 572464318 /nfs/dbraw/zinc/46/43/18/572464318.db2.gz GTSAMWIRMVFXON-WDEREUQCSA-N 0 0 197.253 1.987 10 0 ADAERN C[NH2+]CC(=O)c1scc2c1COC2 74239616 572464329 /nfs/dbraw/zinc/46/43/29/572464329.db2.gz GGNPHICRIMGILW-UHFFFAOYSA-N 0 0 197.259 1.180 10 0 ADAERN CCCC[C@]1(NC(C)=O)CCCC1=O 238256586 572464339 /nfs/dbraw/zinc/46/43/39/572464339.db2.gz IKCHTSHDJWOQKB-NSHDSACASA-N 0 0 197.278 1.805 10 0 ADAERN CSCCn1cccc1C=O 69014726 572464361 /nfs/dbraw/zinc/46/43/61/572464361.db2.gz VZYVDNQGLXYNLS-UHFFFAOYSA-N 0 0 169.249 1.664 10 0 ADAERN CC(C)[C@@](C)(O)c1nccn1C 69027843 572464374 /nfs/dbraw/zinc/46/43/74/572464374.db2.gz RFHIIMWAQLVZRO-SECBINFHSA-N 0 0 168.240 1.284 10 0 ADAERN CCCC[C@]1(CC)CNC(=O)N1 238255993 572464387 /nfs/dbraw/zinc/46/43/87/572464387.db2.gz GEZMFJATSFVHRK-SECBINFHSA-N 0 0 170.256 1.638 10 0 ADAERN CCOC(=O)Cc1[nH]cc(CC)c1C 238256546 572464397 /nfs/dbraw/zinc/46/43/97/572464397.db2.gz CFZDCFXYEQXMKO-UHFFFAOYSA-N 0 0 195.262 1.991 10 0 ADAERN COCC[C@](C)(O)Cc1ccncc1 83950630 572464422 /nfs/dbraw/zinc/46/44/22/572464422.db2.gz LXFMZJHVQLHDEW-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CCc1nc2c(s1)C(=O)C[C@@H](O)C2 74239636 572464435 /nfs/dbraw/zinc/46/44/35/572464435.db2.gz CJGZSLKAGVGHSS-YFKPBYRVSA-N 0 0 197.259 1.195 10 0 ADAERN CCC[C@](C)(O)C(=O)CC[C@@H](C)O 238256782 572464459 /nfs/dbraw/zinc/46/44/59/572464459.db2.gz ZGMWTHZHMFSSFX-SCZZXKLOSA-N 0 0 188.267 1.268 10 0 ADAERN COCC[C@](C)(O)Cc1ccccn1 83950628 572464472 /nfs/dbraw/zinc/46/44/72/572464472.db2.gz PVFRLPGHODANNC-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CCn1nccc1[C@@H](O)C(C)C 69023111 572464482 /nfs/dbraw/zinc/46/44/82/572464482.db2.gz IPYKQMQOYSRSDS-VIFPVBQESA-N 0 0 168.240 1.592 10 0 ADAERN Cn1nccc1[C@H](O)[C@H]1CC=CCC1 69019520 572464496 /nfs/dbraw/zinc/46/44/96/572464496.db2.gz KZJDMVAWAKPWNT-GXSJLCMTSA-N 0 0 192.262 1.810 10 0 ADAERN O=C([O-])CC[C@H](C1CC1)[NH+]1CCCC1 74239440 572464498 /nfs/dbraw/zinc/46/44/98/572464498.db2.gz QKXSDFIDGZIZSI-SNVBAGLBSA-N 0 0 197.278 1.726 10 0 ADAERN CC(C)Cn1c(N)c(C(C)C)[nH]c1=O 74239357 572464535 /nfs/dbraw/zinc/46/45/35/572464535.db2.gz NGCABWMZJMGUCL-UHFFFAOYSA-N 0 0 197.282 1.950 10 0 ADAERN COC(=O)CN[C@@H]1CCCCC[C@@H]1C 83949248 572464562 /nfs/dbraw/zinc/46/45/62/572464562.db2.gz KRGAEPWELRNIDH-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN C=CS(=O)(=O)N(C)C[C@@H]1C[C@@H]1C 308035909 572464579 /nfs/dbraw/zinc/46/45/79/572464579.db2.gz KJRKKLFBYVTDGN-YUMQZZPRSA-N 0 0 189.280 1.048 10 0 ADAERN CCn1nccc1[C@H](O)C1CC1 69023350 572464633 /nfs/dbraw/zinc/46/46/33/572464633.db2.gz HTZMVQXUWWANDV-SECBINFHSA-N 0 0 166.224 1.346 10 0 ADAERN CCn1nccc1[C@@H](N)c1ccco1 69026282 572464684 /nfs/dbraw/zinc/46/46/84/572464684.db2.gz LFIYISROSJVDFH-SNVBAGLBSA-N 0 0 191.234 1.544 10 0 ADAERN CCC[C@@H](O)N(F)C(=O)OCC 238256468 572464739 /nfs/dbraw/zinc/46/47/39/572464739.db2.gz NRIDAYJJSBTZIP-ZCFIWIBFSA-N 0 0 179.191 1.448 10 0 ADAERN COC(=O)CN[C@H]1CCCCC[C@H]1C 83949245 572464719 /nfs/dbraw/zinc/46/47/19/572464719.db2.gz KRGAEPWELRNIDH-ZJUUUORDSA-N 0 0 199.294 1.718 10 0 ADAERN CCNC(=O)N[C@H](C)CC(F)F 308036312 572468123 /nfs/dbraw/zinc/46/81/23/572468123.db2.gz KRZNDFPUJBDPNQ-RXMQYKEDSA-N 0 0 180.198 1.349 10 0 ADAERN CC[C@](O)(COC)Cc1ccccn1 83950826 572468125 /nfs/dbraw/zinc/46/81/25/572468125.db2.gz ZMHCJGVOMZFYGB-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN Cn1ccnc1[C@@H](O)CC(F)(F)F 69028852 572464807 /nfs/dbraw/zinc/46/48/07/572464807.db2.gz BSEOEDWDQNOPAG-YFKPBYRVSA-N 0 0 194.156 1.406 10 0 ADAERN CCn1nccc1[C@H](O)c1ccco1 69022961 572464847 /nfs/dbraw/zinc/46/48/47/572464847.db2.gz GKQMJJHVXSYILD-JTQLQIEISA-N 0 0 192.218 1.578 10 0 ADAERN CCn1ccnc1[C@@](C)(O)C(C)C 69030982 572464853 /nfs/dbraw/zinc/46/48/53/572464853.db2.gz KGFHCZZEMXZTOI-JTQLQIEISA-N 0 0 182.267 1.767 10 0 ADAERN CCOC(=O)Cc1[nH]ccc1C(C)=O 238256556 572464908 /nfs/dbraw/zinc/46/49/08/572464908.db2.gz MVBOIKXROOIONU-UHFFFAOYSA-N 0 0 195.218 1.323 10 0 ADAERN CC(C)CC[C@@](O)(C[NH3+])c1ccco1 74239413 572464918 /nfs/dbraw/zinc/46/49/18/572464918.db2.gz SDPAEDIJIWVWON-LLVKDONJSA-N 0 0 197.278 1.862 10 0 ADAERN CCn1ccnc1[C@](C)(O)C(C)C 69030978 572464933 /nfs/dbraw/zinc/46/49/33/572464933.db2.gz KGFHCZZEMXZTOI-SNVBAGLBSA-N 0 0 182.267 1.767 10 0 ADAERN CC[C@@](O)(c1nccn1C)C(C)C 69027901 572464937 /nfs/dbraw/zinc/46/49/37/572464937.db2.gz STSXFDPAYFUGHJ-JTQLQIEISA-N 0 0 182.267 1.674 10 0 ADAERN Cc1cc(N)ccc1-c1nccn1C 69027658 572464945 /nfs/dbraw/zinc/46/49/45/572464945.db2.gz RAZJAJXCRRMFQM-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C=CS(=O)(=O)N(C)C[C@@H]1C[C@H]1C 308035908 572464956 /nfs/dbraw/zinc/46/49/56/572464956.db2.gz KJRKKLFBYVTDGN-SFYZADRCSA-N 0 0 189.280 1.048 10 0 ADAERN CSCCCN1CN=NC1=S 69013650 572464964 /nfs/dbraw/zinc/46/49/64/572464964.db2.gz ICAUDMBSVPQEJX-UHFFFAOYSA-N 0 0 189.309 1.320 10 0 ADAERN Cn1ccnc1[C@H](O)[C@H]1CC=CCC1 69028389 572465036 /nfs/dbraw/zinc/46/50/36/572465036.db2.gz OWUQOXXWEQNEMC-VHSXEESVSA-N 0 0 192.262 1.810 10 0 ADAERN CCn1nccc1[C@](C)(O)C1CC1 69022637 572465047 /nfs/dbraw/zinc/46/50/47/572465047.db2.gz HWSMQRJRQXPNOX-SNVBAGLBSA-N 0 0 180.251 1.521 10 0 ADAERN Nc1ccc(CCCCCO)cc1O 74244248 572465077 /nfs/dbraw/zinc/46/50/77/572465077.db2.gz RJGDLTLNXFXFHY-UHFFFAOYSA-N 0 0 195.262 1.680 10 0 ADAERN Cn1nccc1C(=O)C[C@H]1CCCO1 69019666 572465094 /nfs/dbraw/zinc/46/50/94/572465094.db2.gz YJDQYMVPBDUSJF-MRVPVSSYSA-N 0 0 194.234 1.172 10 0 ADAERN Cn1nccc1C(=O)CC(F)(F)F 69019715 572465128 /nfs/dbraw/zinc/46/51/28/572465128.db2.gz NBSOIJDTEUWOTL-UHFFFAOYSA-N 0 0 192.140 1.555 10 0 ADAERN COC[C@](C)(O)Cc1ccccn1 83950631 572465136 /nfs/dbraw/zinc/46/51/36/572465136.db2.gz SREIOBFIBUZAQG-SNVBAGLBSA-N 0 0 181.235 1.022 10 0 ADAERN Nc1nnc(NCCCC2CC2)o1 236377277 572465182 /nfs/dbraw/zinc/46/51/82/572465182.db2.gz DKCVUGYMAYHIKU-UHFFFAOYSA-N 0 0 182.227 1.254 10 0 ADAERN CC(C)[C@@H](CO)Cc1nccs1 87398492 572465189 /nfs/dbraw/zinc/46/51/89/572465189.db2.gz DKLPPTRZZRUJSH-MRVPVSSYSA-N 0 0 185.292 1.950 10 0 ADAERN CC[C@H](O)c1ccnn1CC 69023580 572465222 /nfs/dbraw/zinc/46/52/22/572465222.db2.gz FDYRFZNJOSSTPA-QMMMGPOBSA-N 0 0 154.213 1.346 10 0 ADAERN C/C=C\[C@]1(O)CCC[C@H](O)C1 214831295 572465277 /nfs/dbraw/zinc/46/52/77/572465277.db2.gz WCUMIMWABVALTB-MGQLQWOVSA-N 0 0 156.225 1.229 10 0 ADAERN C=CS(=O)(=O)N(C)C[C@H]1C[C@@H]1C 308035907 572465289 /nfs/dbraw/zinc/46/52/89/572465289.db2.gz KJRKKLFBYVTDGN-JGVFFNPUSA-N 0 0 189.280 1.048 10 0 ADAERN CSC[C@H](C)Nc1nc(C)no1 235068015 572465330 /nfs/dbraw/zinc/46/53/30/572465330.db2.gz IPZSHDKLWOBACK-YFKPBYRVSA-N 0 0 187.268 1.541 10 0 ADAERN CCOC(=O)CC1=C[C@@H](O)CCC1 238257385 572465335 /nfs/dbraw/zinc/46/53/35/572465335.db2.gz BPQIRNMMOMWORT-VIFPVBQESA-N 0 0 184.235 1.411 10 0 ADAERN CC[C@H](Cc1ccccn1)C(=O)OC 83951360 572468133 /nfs/dbraw/zinc/46/81/33/572468133.db2.gz FXYDDPCTAOGBAZ-SECBINFHSA-N 0 0 193.246 1.823 10 0 ADAERN Cn1nccc1[C@@H](O)[C@@H]1CC=CCC1 69019528 572465384 /nfs/dbraw/zinc/46/53/84/572465384.db2.gz KZJDMVAWAKPWNT-KOLCDFICSA-N 0 0 192.262 1.810 10 0 ADAERN CCn1nccc1[C@](C)(O)CC 69022609 572465443 /nfs/dbraw/zinc/46/54/43/572465443.db2.gz SXOPQYJJZZDXFD-SECBINFHSA-N 0 0 168.240 1.521 10 0 ADAERN CCCn1c(N)c(C2CCC2)[nH]c1=O 74244083 572465451 /nfs/dbraw/zinc/46/54/51/572465451.db2.gz QAQAEVHLVKHGNT-UHFFFAOYSA-N 0 0 195.266 1.848 10 0 ADAERN Cn1nccc1[C@H](O)c1ccoc1 69019438 572465536 /nfs/dbraw/zinc/46/55/36/572465536.db2.gz VDHRDABNKKSPOW-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN CCc1nsc2c1C(=O)C[C@H](O)C2 74239639 572465541 /nfs/dbraw/zinc/46/55/41/572465541.db2.gz GRPLDCVMHUIECD-YFKPBYRVSA-N 0 0 197.259 1.195 10 0 ADAERN CCCn1c(=O)cc(C)[nH]c1=S 238256395 572465559 /nfs/dbraw/zinc/46/55/59/572465559.db2.gz QNYLHYOZRYEESM-UHFFFAOYSA-N 0 0 184.264 1.624 10 0 ADAERN CC[C@@](C)(O)[C@H]([NH3+])c1ccccc1F 74239727 572465574 /nfs/dbraw/zinc/46/55/74/572465574.db2.gz GTSAMWIRMVFXON-GHMZBOCLSA-N 0 0 197.253 1.987 10 0 ADAERN COCC[C@@](C)(O)Cc1ccccn1 83950627 572465666 /nfs/dbraw/zinc/46/56/66/572465666.db2.gz PVFRLPGHODANNC-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN CCCC[C@]1(C2CC2)NC(=O)NC1=O 238257462 572465740 /nfs/dbraw/zinc/46/57/40/572465740.db2.gz CDJKEUABJSYKCB-SNVBAGLBSA-N 0 0 196.250 1.165 10 0 ADAERN CCOC(=O)[C@@H](O)C=C(CC)CC 238257468 572465745 /nfs/dbraw/zinc/46/57/45/572465745.db2.gz QKGDRMMBLMZZIM-VIFPVBQESA-N 0 0 186.251 1.657 10 0 ADAERN CC[C@@H](OC)[C@H](CC(C)(C)C)NN 713254341 572468141 /nfs/dbraw/zinc/46/81/41/572468141.db2.gz GLXAQLYKDHZFGZ-DTWKUNHWSA-N 0 0 188.315 1.680 10 0 ADAERN CCCC[S@@](=O)CCCCO 238258108 572468142 /nfs/dbraw/zinc/46/81/42/572468142.db2.gz XQNCZWGHSCSGIY-LLVKDONJSA-N 0 0 178.297 1.308 10 0 ADAERN COCC[C@@](C)(O)Cc1ccncc1 83950629 572465851 /nfs/dbraw/zinc/46/58/51/572465851.db2.gz LXFMZJHVQLHDEW-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN CCOC(=O)[C@@H](O)C1=C(C)CCCC1 238257365 572465892 /nfs/dbraw/zinc/46/58/92/572465892.db2.gz UMIYXSAZMWTMPH-JTQLQIEISA-N 0 0 198.262 1.801 10 0 ADAERN O[C@@H](c1ccsc1)c1cnccn1 69048963 572465979 /nfs/dbraw/zinc/46/59/79/572465979.db2.gz BQFNRJVHBQHUAA-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN CCO[C@H](/C=C/CCO)CC 238256092 572466013 /nfs/dbraw/zinc/46/60/13/572466013.db2.gz RJAMMZQLWXUUJR-IWGCBNPKSA-N 0 0 158.241 1.740 10 0 ADAERN Cc1nsc2c1C(=O)C[C@H](CO)C2 74239642 572466044 /nfs/dbraw/zinc/46/60/44/572466044.db2.gz HOUBYIICNHBRDO-LURJTMIESA-N 0 0 197.259 1.189 10 0 ADAERN COC[C@@](C)(O)Cc1ccncc1 83950634 572466045 /nfs/dbraw/zinc/46/60/45/572466045.db2.gz GANZXQSRIQHGOV-JTQLQIEISA-N 0 0 181.235 1.022 10 0 ADAERN CCC[C@@H](O)[C@@H](CCC)NC(C)=O 238257388 572466055 /nfs/dbraw/zinc/46/60/55/572466055.db2.gz GSSLGEFZVAFRLV-NXEZZACHSA-N 0 0 187.283 1.452 10 0 ADAERN CCCC[C@]1(CC)C[C@@H](N)C(=O)O1 238256044 572466072 /nfs/dbraw/zinc/46/60/72/572466072.db2.gz BWDDOQWTXZEUKG-PSASIEDQSA-N 0 0 185.267 1.600 10 0 ADAERN CCOC(=O)CC1=CC[C@@H](O)C1 238257343 572466081 /nfs/dbraw/zinc/46/60/81/572466081.db2.gz NLIWRRYESQGUAD-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN CCC[C@@H](N)C(=O)c1nn(C)cc1C 74243877 572466119 /nfs/dbraw/zinc/46/61/19/572466119.db2.gz AUNKQBHENSAFHD-MRVPVSSYSA-N 0 0 195.266 1.039 10 0 ADAERN Nc1ccc(F)cc1-c1cnccn1 69048762 572466132 /nfs/dbraw/zinc/46/61/32/572466132.db2.gz ZTYBWJSAXRADTF-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CC[C@](C)(O)[C@@H]([NH3+])c1ccccc1F 74239728 572466145 /nfs/dbraw/zinc/46/61/45/572466145.db2.gz GTSAMWIRMVFXON-QWRGUYRKSA-N 0 0 197.253 1.987 10 0 ADAERN CCCSC=O 33951357 572468147 /nfs/dbraw/zinc/46/81/47/572468147.db2.gz AIDJKHXHGBQDPE-UHFFFAOYSA-N 0 0 104.174 1.320 10 0 ADAERN Nc1nc(Cl)c2cccc(O)c2n1 214830133 572466152 /nfs/dbraw/zinc/46/61/52/572466152.db2.gz UGJKRPUYTFRUPX-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN Cc1nnc([C@H](N)CC2CCCC2)o1 74244114 572466160 /nfs/dbraw/zinc/46/61/60/572466160.db2.gz IFYMADSTXJWUIF-SECBINFHSA-N 0 0 195.266 1.958 10 0 ADAERN COC[C@@](C)(O)Cc1ccccn1 83950632 572466181 /nfs/dbraw/zinc/46/61/81/572466181.db2.gz SREIOBFIBUZAQG-JTQLQIEISA-N 0 0 181.235 1.022 10 0 ADAERN CCC[C@@H](O)[C@@H](CCC)OCOC 238257409 572466208 /nfs/dbraw/zinc/46/62/08/572466208.db2.gz ZXAHFDUUCQKZFF-NXEZZACHSA-N 0 0 190.283 1.937 10 0 ADAERN CCOC(=O)[C@@H](O)C1C=CC=CC=C1 238257449 572466243 /nfs/dbraw/zinc/46/62/43/572466243.db2.gz GSYJKFOKBMTMAR-JTQLQIEISA-N 0 0 194.230 1.209 10 0 ADAERN Cc1ocnc1[C@@H]1CCCCCN1N 74244128 572466248 /nfs/dbraw/zinc/46/62/48/572466248.db2.gz UYRGYDIOKFLCAA-VIFPVBQESA-N 0 0 195.266 1.774 10 0 ADAERN O=C([O-])CC1(CC[NH+]2CCCC2)CC1 74239412 572466293 /nfs/dbraw/zinc/46/62/93/572466293.db2.gz HHFSGNRZDZBBRQ-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN CCO[C@@H](C)[C@@H](O)Cc1ccccn1 83951345 572468152 /nfs/dbraw/zinc/46/81/52/572468152.db2.gz MAYHRAWKLZSENN-ONGXEEELSA-N 0 0 195.262 1.410 10 0 ADAERN CC(C)CC[C@](O)(C[NH3+])c1ccco1 74239415 572466324 /nfs/dbraw/zinc/46/63/24/572466324.db2.gz SDPAEDIJIWVWON-NSHDSACASA-N 0 0 197.278 1.862 10 0 ADAERN CCC(=O)Cn1ccc(C)cc1=O 61909337 572466418 /nfs/dbraw/zinc/46/64/18/572466418.db2.gz UYQMLUMFFKPZLC-UHFFFAOYSA-N 0 0 179.219 1.136 10 0 ADAERN C[C@@](O)(c1cnccn1)C1CC1 69048876 572466428 /nfs/dbraw/zinc/46/64/28/572466428.db2.gz XJHJRMWIMIOWPR-VIFPVBQESA-N 0 0 164.208 1.094 10 0 ADAERN CCCC(=O)CN1CCCOCC1 61919963 572466431 /nfs/dbraw/zinc/46/64/31/572466431.db2.gz SEKCAAMMMNNYGP-UHFFFAOYSA-N 0 0 185.267 1.078 10 0 ADAERN CCCC(=O)OCO[C@H](O)CCC 238256585 572466450 /nfs/dbraw/zinc/46/64/50/572466450.db2.gz ZHBLOEMHZVIFPD-QMMMGPOBSA-N 0 0 190.239 1.422 10 0 ADAERN CCOC(=O)[C@@H](O)C1=CCCC[C@H]1C 238257413 572466494 /nfs/dbraw/zinc/46/64/94/572466494.db2.gz IGTFYGLXNQPUEZ-SCZZXKLOSA-N 0 0 198.262 1.657 10 0 ADAERN CCCC[C@]1(CC)C[C@H](N)C(=O)O1 238256057 572466552 /nfs/dbraw/zinc/46/65/52/572466552.db2.gz BWDDOQWTXZEUKG-WCBMZHEXSA-N 0 0 185.267 1.600 10 0 ADAERN CC[C@](O)(c1cnccn1)C(C)C 69048890 572466638 /nfs/dbraw/zinc/46/66/38/572466638.db2.gz PIYJPZZHROPPRQ-SNVBAGLBSA-N 0 0 180.251 1.730 10 0 ADAERN CCn1ccnc1[C@H]1CCCC[C@@H]1O 69048502 572466661 /nfs/dbraw/zinc/46/66/61/572466661.db2.gz YCCDEEPOIKWBHZ-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN CCCSc1cc(C[NH3+])ncn1 308036322 572466686 /nfs/dbraw/zinc/46/66/86/572466686.db2.gz KRZRITJKNHJLGG-UHFFFAOYSA-N 0 0 183.280 1.437 10 0 ADAERN CC[C@H](O)[C@H](CO)CCC(C)C 308036423 572466703 /nfs/dbraw/zinc/46/67/03/572466703.db2.gz KTPQJOMJKFCXOE-UWVGGRQHSA-N 0 0 174.284 1.802 10 0 ADAERN CC[C@](O)(COC)Cc1ccncc1 83950828 572466754 /nfs/dbraw/zinc/46/67/54/572466754.db2.gz VOGQJDMWTVTKGP-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN Nc1cc(CCc2ccccn2)ccn1 83951875 572466758 /nfs/dbraw/zinc/46/67/58/572466758.db2.gz MVPSUFKEWZOKMD-UHFFFAOYSA-N 0 0 199.257 1.844 10 0 ADAERN CCCC[C@]1(CC)COC(N)=N1 83952556 572466776 /nfs/dbraw/zinc/46/67/76/572466776.db2.gz GQXCAYVXVAFEEX-SECBINFHSA-N 0 0 170.256 1.670 10 0 ADAERN O[C@@H](CC(F)(F)F)c1cnccn1 69049113 572466787 /nfs/dbraw/zinc/46/67/87/572466787.db2.gz DLFYKAIVIDIZBF-LURJTMIESA-N 0 0 192.140 1.462 10 0 ADAERN CCSC[C@H](O)Cc1ccncc1 83951353 572466789 /nfs/dbraw/zinc/46/67/89/572466789.db2.gz QPQBISDMKSXOEU-SNVBAGLBSA-N 0 0 197.303 1.738 10 0 ADAERN CC(C)[C@](C)(O)c1cnccn1 69048871 572466814 /nfs/dbraw/zinc/46/68/14/572466814.db2.gz GACRKHKOILBNDG-VIFPVBQESA-N 0 0 166.224 1.340 10 0 ADAERN CC[C@@H](Cc1ccncc1)C(=O)OC 83951401 572466815 /nfs/dbraw/zinc/46/68/15/572466815.db2.gz ZLBIAZXWWXVOGL-JTQLQIEISA-N 0 0 193.246 1.823 10 0 ADAERN CCSC[C@@H](O)Cc1ccccn1 83951358 572466828 /nfs/dbraw/zinc/46/68/28/572466828.db2.gz BWJCFQZIERDOCB-JTQLQIEISA-N 0 0 197.303 1.738 10 0 ADAERN C[C@H](O)CCCc1ccccn1 83952234 572466842 /nfs/dbraw/zinc/46/68/42/572466842.db2.gz QVLXELXHBBHVDV-VIFPVBQESA-N 0 0 165.236 1.785 10 0 ADAERN CCCOC[C@@H](O)CCC 44653197 572466849 /nfs/dbraw/zinc/46/68/49/572466849.db2.gz UVSKAZAWMVGOKD-QMMMGPOBSA-N 0 0 146.230 1.574 10 0 ADAERN CC[C@@](O)(c1cnccn1)C(C)C 69048889 572466859 /nfs/dbraw/zinc/46/68/59/572466859.db2.gz PIYJPZZHROPPRQ-JTQLQIEISA-N 0 0 180.251 1.730 10 0 ADAERN CC[C@@](O)(COC)Cc1ccncc1 83950829 572466884 /nfs/dbraw/zinc/46/68/84/572466884.db2.gz VOGQJDMWTVTKGP-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CC[C@@H](OC)[C@@H](CC(C)(C)C)NN 713254345 572466892 /nfs/dbraw/zinc/46/68/92/572466892.db2.gz GLXAQLYKDHZFGZ-RKDXNWHRSA-N 0 0 188.315 1.680 10 0 ADAERN CCO[C@H](C)C(=O)Cc1ccccn1 83951176 572466895 /nfs/dbraw/zinc/46/68/95/572466895.db2.gz PSLYDCCBAQDEOH-SECBINFHSA-N 0 0 193.246 1.618 10 0 ADAERN C/C=C(\CC)[C@@H](O)C(=O)OCC 238257941 572466906 /nfs/dbraw/zinc/46/69/06/572466906.db2.gz ALCCHUCXSUDWPI-RXLGXGPVSA-N 0 0 172.224 1.267 10 0 ADAERN CCCOCC(=O)Cc1ccccn1 83951108 572466910 /nfs/dbraw/zinc/46/69/10/572466910.db2.gz MTORWWCSCCYVMZ-UHFFFAOYSA-N 0 0 193.246 1.620 10 0 ADAERN COC(OC)[C@@H](C)[C@H](O)C(C)C 308037052 572466913 /nfs/dbraw/zinc/46/69/13/572466913.db2.gz LCMHCLDCFBHHNW-JGVFFNPUSA-N 0 0 176.256 1.258 10 0 ADAERN CCOC(=O)[C@@H](O)[C@@H]1CCCC=C1C 238258524 572466916 /nfs/dbraw/zinc/46/69/16/572466916.db2.gz QUEVEGCSXONRHD-ZJUUUORDSA-N 0 0 198.262 1.657 10 0 ADAERN CCCOCC(=N)OC 44654613 572466920 /nfs/dbraw/zinc/46/69/20/572466920.db2.gz GUKMCXZZWGURHL-UHFFFAOYSA-N 0 0 131.175 1.037 10 0 ADAERN COC(=O)[C@H](C)Cc1ccncc1 83951400 572466944 /nfs/dbraw/zinc/46/69/44/572466944.db2.gz DNWPDVBVBYWAPW-MRVPVSSYSA-N 0 0 179.219 1.433 10 0 ADAERN CCO[C@H](C)[C@@H](O)Cc1ccccn1 83951346 572466955 /nfs/dbraw/zinc/46/69/55/572466955.db2.gz MAYHRAWKLZSENN-KOLCDFICSA-N 0 0 195.262 1.410 10 0 ADAERN CCSC[C@H](O)Cc1ccccn1 83951357 572466968 /nfs/dbraw/zinc/46/69/68/572466968.db2.gz BWJCFQZIERDOCB-SNVBAGLBSA-N 0 0 197.303 1.738 10 0 ADAERN COC(=O)[C@@H](C)Cc1ccncc1 83951399 572466990 /nfs/dbraw/zinc/46/69/90/572466990.db2.gz DNWPDVBVBYWAPW-QMMMGPOBSA-N 0 0 179.219 1.433 10 0 ADAERN CCC[C@](CO)([C@H](C)O)[C@@H](C)OC 238257928 572466997 /nfs/dbraw/zinc/46/69/97/572466997.db2.gz WYPJNKGOBUEEMD-AEJSXWLSSA-N 0 0 190.283 1.181 10 0 ADAERN COCCCCNc1ccc(N)cn1 44656873 572467002 /nfs/dbraw/zinc/46/70/02/572467002.db2.gz LZWUQNWOSZDAQW-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN C=COCCOC(=O)/C(C)=C\C 308035966 572467011 /nfs/dbraw/zinc/46/70/11/572467011.db2.gz KNIYHQHKUNKAHR-YWEYNIOJSA-N 0 0 170.208 1.656 10 0 ADAERN CCOC(=O)[C@H](O)C1C=CC=CC=C1 238258029 572467035 /nfs/dbraw/zinc/46/70/35/572467035.db2.gz GSYJKFOKBMTMAR-SNVBAGLBSA-N 0 0 194.230 1.209 10 0 ADAERN CSC[C@H](O)Cc1ccccn1 83951311 572467063 /nfs/dbraw/zinc/46/70/63/572467063.db2.gz YQMPABYPVQZTNL-SECBINFHSA-N 0 0 183.276 1.348 10 0 ADAERN COCCOc1cc(C(C)=O)ccn1 87400562 572467065 /nfs/dbraw/zinc/46/70/65/572467065.db2.gz WOUKBEFRDLVBOA-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN C/C=C/[C@H](O)/C=C(\C)COCC 238258319 572467067 /nfs/dbraw/zinc/46/70/67/572467067.db2.gz HYFCHNZYYWNRAS-KHDFDBHFSA-N 0 0 170.252 1.906 10 0 ADAERN C[C@@H](O)CCCc1ccccn1 83952235 572467068 /nfs/dbraw/zinc/46/70/68/572467068.db2.gz QVLXELXHBBHVDV-SECBINFHSA-N 0 0 165.236 1.785 10 0 ADAERN COC[C@H](C)Cc1nc(C(C)C)n[nH]1 87436206 572467085 /nfs/dbraw/zinc/46/70/85/572467085.db2.gz LOPLWVZTHRBGJU-MRVPVSSYSA-N 0 0 197.282 1.753 10 0 ADAERN O[C@@H]1CCC[C@H]1c1cnccn1 69049386 572467091 /nfs/dbraw/zinc/46/70/91/572467091.db2.gz GZEKWYDIQGMWDK-IONNQARKSA-N 0 0 164.208 1.105 10 0 ADAERN CCCOC[C@H](O)Cc1ccccn1 83951296 572467104 /nfs/dbraw/zinc/46/71/04/572467104.db2.gz IKLNZRFFCRRFDY-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN CSCC[C@H](O)Cc1ccccn1 83950760 572467108 /nfs/dbraw/zinc/46/71/08/572467108.db2.gz WYMOAFBKTQRIKP-JTQLQIEISA-N 0 0 197.303 1.738 10 0 ADAERN CCSC[C@@H](O)Cc1ccncc1 83951354 572467115 /nfs/dbraw/zinc/46/71/15/572467115.db2.gz QPQBISDMKSXOEU-JTQLQIEISA-N 0 0 197.303 1.738 10 0 ADAERN CCCO[C@@H](C)NC(=O)OC 90448930 572467143 /nfs/dbraw/zinc/46/71/43/572467143.db2.gz OCARNYDMVLJWIR-LURJTMIESA-N 0 0 161.201 1.115 10 0 ADAERN CC[C@H](OC)[C@H](CC(C)(C)C)NN 713254344 572467168 /nfs/dbraw/zinc/46/71/68/572467168.db2.gz GLXAQLYKDHZFGZ-IUCAKERBSA-N 0 0 188.315 1.680 10 0 ADAERN CC[C@@H](O)[C@@H](CO)CCC(C)C 308036416 572467176 /nfs/dbraw/zinc/46/71/76/572467176.db2.gz KTPQJOMJKFCXOE-NXEZZACHSA-N 0 0 174.284 1.802 10 0 ADAERN CSCC(=O)Cc1ccncc1 83951132 572467178 /nfs/dbraw/zinc/46/71/78/572467178.db2.gz LJERJKFMFXNFNI-UHFFFAOYSA-N 0 0 181.260 1.556 10 0 ADAERN CCOC(=O)[C@H](CC)N1CCC1 308036899 572467210 /nfs/dbraw/zinc/46/72/10/572467210.db2.gz KXRCLXUWVMKZPS-QMMMGPOBSA-N 0 0 171.240 1.034 10 0 ADAERN CCCOC[C@H](O)CCC 44653200 572467214 /nfs/dbraw/zinc/46/72/14/572467214.db2.gz UVSKAZAWMVGOKD-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN CCN[C@H](C(F)(F)F)C(C)(C)OC 308037160 572467230 /nfs/dbraw/zinc/46/72/30/572467230.db2.gz JBCDLRIAPFWWEP-LURJTMIESA-N 0 0 199.216 1.952 10 0 ADAERN N[C@H](c1ccco1)[C@@H](O)C(F)(F)F 74245529 572467235 /nfs/dbraw/zinc/46/72/35/572467235.db2.gz AFIXUTBKAWGUEP-PHDIDXHHSA-N 0 0 195.140 1.203 10 0 ADAERN CCCOC[C@H](O)CC 44653179 572467242 /nfs/dbraw/zinc/46/72/42/572467242.db2.gz NVHNPNNZMBSXIF-SSDOTTSWSA-N 0 0 132.203 1.184 10 0 ADAERN CSC[C@@H](O)Cc1ccncc1 83951310 572467265 /nfs/dbraw/zinc/46/72/65/572467265.db2.gz KFZOVXLKUWSRRL-VIFPVBQESA-N 0 0 183.276 1.348 10 0 ADAERN CCCOC[C@@H](O)CC 44653182 572467353 /nfs/dbraw/zinc/46/73/53/572467353.db2.gz NVHNPNNZMBSXIF-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN CSCC[C@H](O)Cc1ccncc1 83950762 572467368 /nfs/dbraw/zinc/46/73/68/572467368.db2.gz SXJNWPYLRJYBQI-JTQLQIEISA-N 0 0 197.303 1.738 10 0 ADAERN CCO[C@H](C)[C@@H](O)Cc1ccncc1 83951342 572467371 /nfs/dbraw/zinc/46/73/71/572467371.db2.gz QAKSUOITOBODDO-KOLCDFICSA-N 0 0 195.262 1.410 10 0 ADAERN CCCOC[C@@H](O)Cc1ccccn1 83951297 572467375 /nfs/dbraw/zinc/46/73/75/572467375.db2.gz IKLNZRFFCRRFDY-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CCC[C@@](C)(C(=O)OCC)[C@H](C)O 238257565 572467379 /nfs/dbraw/zinc/46/73/79/572467379.db2.gz NQQZCDGRYDAQCP-WCBMZHEXSA-N 0 0 188.267 1.737 10 0 ADAERN CCOc1ccc(NC[C@H](C)O)cn1 87399539 572467425 /nfs/dbraw/zinc/46/74/25/572467425.db2.gz CHVBWYVGXYYJDM-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN C[C@H](CO)CCc1ccccn1 83952294 572467433 /nfs/dbraw/zinc/46/74/33/572467433.db2.gz PUKZGDSYTYNQQP-VIFPVBQESA-N 0 0 165.236 1.643 10 0 ADAERN Cc1cc([C@@H](C)N(O)C(N)=O)[nH]c1C 74240076 572467440 /nfs/dbraw/zinc/46/74/40/572467440.db2.gz VDJUTMUKIXTJSC-SSDOTTSWSA-N 0 0 197.238 1.462 10 0 ADAERN CCCOC[C@@H](O)C(C)C 44653188 572467455 /nfs/dbraw/zinc/46/74/55/572467455.db2.gz YIHMWIWVONBUME-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN Cc1ccn(C)c1[C@H](C)N(O)C(N)=O 74240074 572467470 /nfs/dbraw/zinc/46/74/70/572467470.db2.gz AYLAPCNURIJYHJ-ZETCQYMHSA-N 0 0 197.238 1.164 10 0 ADAERN Cc1ccc([C@@H](O)c2cnccn2)o1 69048950 572467480 /nfs/dbraw/zinc/46/74/80/572467480.db2.gz DWSPADZNVSSEPX-JTQLQIEISA-N 0 0 190.202 1.460 10 0 ADAERN Nc1ncccc1CCc1ccccn1 83951883 572467516 /nfs/dbraw/zinc/46/75/16/572467516.db2.gz XRLKAONDYCHLFF-UHFFFAOYSA-N 0 0 199.257 1.844 10 0 ADAERN COC1CC(Nc2c(C)n[nH]c2C)C1 234742354 572467521 /nfs/dbraw/zinc/46/75/21/572467521.db2.gz OVTOJOVPTFWUOT-UHFFFAOYSA-N 0 0 195.266 1.616 10 0 ADAERN CCCOC[C@H](O)C(C)C 44653185 572467527 /nfs/dbraw/zinc/46/75/27/572467527.db2.gz YIHMWIWVONBUME-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN CCC[C@@](C)(C(=O)OCC)[C@@H](C)O 238257531 572467548 /nfs/dbraw/zinc/46/75/48/572467548.db2.gz NQQZCDGRYDAQCP-PSASIEDQSA-N 0 0 188.267 1.737 10 0 ADAERN Cc1cccnc1C(=O)c1cnccn1 69049085 572467835 /nfs/dbraw/zinc/46/78/35/572467835.db2.gz KSXPXIWTPVKGEL-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CCOC(=O)[C@@H](O)SC(C)(C)C 238258101 572467559 /nfs/dbraw/zinc/46/75/59/572467559.db2.gz WKFGJTJLQLZWBM-ZETCQYMHSA-N 0 0 192.280 1.400 10 0 ADAERN CCOC(=O)CC=C=CC(C)(C)CO 238257912 572467564 /nfs/dbraw/zinc/46/75/64/572467564.db2.gz RPEKTIDJKVGGJE-UHFFFAOYSA-N 0 0 198.262 1.669 10 0 ADAERN Cc1cc([C@H](C)N(O)C(N)=O)[nH]c1C 74240078 572467568 /nfs/dbraw/zinc/46/75/68/572467568.db2.gz VDJUTMUKIXTJSC-ZETCQYMHSA-N 0 0 197.238 1.462 10 0 ADAERN CCO[C@H](C)C(=O)Cc1ccncc1 83951178 572467576 /nfs/dbraw/zinc/46/75/76/572467576.db2.gz UZIPIWWDBOMTIS-SECBINFHSA-N 0 0 193.246 1.618 10 0 ADAERN CC[C@@](O)(COC)Cc1ccccn1 83950827 572467581 /nfs/dbraw/zinc/46/75/81/572467581.db2.gz ZMHCJGVOMZFYGB-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CCO[C@H](C)[C@H](O)Cc1ccccn1 83951344 572467585 /nfs/dbraw/zinc/46/75/85/572467585.db2.gz MAYHRAWKLZSENN-MWLCHTKSSA-N 0 0 195.262 1.410 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1cnccn1 69048886 572467596 /nfs/dbraw/zinc/46/75/96/572467596.db2.gz XNHPQDDMPQNEKJ-WPRPVWTQSA-N 0 0 180.251 1.730 10 0 ADAERN C[C@H](CO)CCc1ccncc1 83952296 572467619 /nfs/dbraw/zinc/46/76/19/572467619.db2.gz DRAGLXPTHIZQMA-VIFPVBQESA-N 0 0 165.236 1.643 10 0 ADAERN CCSCC(=O)Cc1ccncc1 83951213 572467653 /nfs/dbraw/zinc/46/76/53/572467653.db2.gz WZWQNOCYMWILDZ-UHFFFAOYSA-N 0 0 195.287 1.946 10 0 ADAERN Cc1nnc([C@@H](N)CC(F)(F)F)o1 74245523 572467687 /nfs/dbraw/zinc/46/76/87/572467687.db2.gz HFPZRAZCSKCDRU-BYPYZUCNSA-N 0 0 195.144 1.330 10 0 ADAERN O=Cc1cnc(-c2ncns2)s1 74239859 572467695 /nfs/dbraw/zinc/46/76/95/572467695.db2.gz BOBIYLKZWDSYBB-UHFFFAOYSA-N 0 0 197.244 1.474 10 0 ADAERN Cc1nc(-c2sncc2N)oc1C 74244481 572467730 /nfs/dbraw/zinc/46/77/30/572467730.db2.gz VMLUZVNGHNYGGH-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CCOCCCc1n[nH]c(C)n1 87436201 572467736 /nfs/dbraw/zinc/46/77/36/572467736.db2.gz QRDNLBLFMLQSHU-UHFFFAOYSA-N 0 0 169.228 1.082 10 0 ADAERN COC(=O)[C@@H](C)Cc1ccccn1 83951355 572467741 /nfs/dbraw/zinc/46/77/41/572467741.db2.gz RLGHPBMCOXWTGP-QMMMGPOBSA-N 0 0 179.219 1.433 10 0 ADAERN CCO[C@@H](C)C(=O)Cc1ccccn1 83951175 572467747 /nfs/dbraw/zinc/46/77/47/572467747.db2.gz PSLYDCCBAQDEOH-VIFPVBQESA-N 0 0 193.246 1.618 10 0 ADAERN CCOCCCc1nc(CC)n[nH]1 87436205 572467750 /nfs/dbraw/zinc/46/77/50/572467750.db2.gz ZOKUQYROPKHSQU-UHFFFAOYSA-N 0 0 183.255 1.336 10 0 ADAERN CCCC[C@@]1(CC)COC(N)=N1 83952557 572467754 /nfs/dbraw/zinc/46/77/54/572467754.db2.gz GQXCAYVXVAFEEX-VIFPVBQESA-N 0 0 170.256 1.670 10 0 ADAERN COC(=O)[C@H](C)Cc1ccccn1 83951356 572467763 /nfs/dbraw/zinc/46/77/63/572467763.db2.gz RLGHPBMCOXWTGP-MRVPVSSYSA-N 0 0 179.219 1.433 10 0 ADAERN CNC(NC)c1ccccc1 33798361 572467765 /nfs/dbraw/zinc/46/77/65/572467765.db2.gz BPNHNWQOOHNSIW-UHFFFAOYSA-N 0 0 150.225 1.124 10 0 ADAERN CCOCCCc1nnc(N)s1 87436168 572467776 /nfs/dbraw/zinc/46/77/76/572467776.db2.gz ABPRIOBWAASKOE-UHFFFAOYSA-N 0 0 187.268 1.089 10 0 ADAERN CCCc1n[nH]c(C[C@H](C)COC)n1 87436211 572467782 /nfs/dbraw/zinc/46/77/82/572467782.db2.gz GYVLCTHILZTMTC-QMMMGPOBSA-N 0 0 197.282 1.582 10 0 ADAERN CCOC(=O)CC1=CCO[C@H](C)[C@H]1C 238257331 572467783 /nfs/dbraw/zinc/46/77/83/572467783.db2.gz QNQMTUSGLJZBMB-RKDXNWHRSA-N 0 0 198.262 1.921 10 0 ADAERN CCCOC[C@@H](O)Cc1ccncc1 83951295 572467785 /nfs/dbraw/zinc/46/77/85/572467785.db2.gz LBUKBYWQCWEQFF-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CCO[C@@H](C)[C@@H](O)Cc1ccncc1 83951341 572467792 /nfs/dbraw/zinc/46/77/92/572467792.db2.gz QAKSUOITOBODDO-ONGXEEELSA-N 0 0 195.262 1.410 10 0 ADAERN CCO[C@@H](C)C(=O)Cc1ccncc1 83951177 572467797 /nfs/dbraw/zinc/46/77/97/572467797.db2.gz UZIPIWWDBOMTIS-VIFPVBQESA-N 0 0 193.246 1.618 10 0 ADAERN CSC[C@@H](O)Cc1ccccn1 83951312 572467811 /nfs/dbraw/zinc/46/78/11/572467811.db2.gz YQMPABYPVQZTNL-VIFPVBQESA-N 0 0 183.276 1.348 10 0 ADAERN CC[C@H](Cc1ccncc1)C(=O)OC 83951402 572467828 /nfs/dbraw/zinc/46/78/28/572467828.db2.gz ZLBIAZXWWXVOGL-SNVBAGLBSA-N 0 0 193.246 1.823 10 0 ADAERN CCO[C@@H](C)[C@H](O)Cc1ccccn1 83951343 572467832 /nfs/dbraw/zinc/46/78/32/572467832.db2.gz MAYHRAWKLZSENN-GXSJLCMTSA-N 0 0 195.262 1.410 10 0 ADAERN CCCOCC(=O)Cc1ccncc1 83951109 572467837 /nfs/dbraw/zinc/46/78/37/572467837.db2.gz YTLKHTKGKUODIA-UHFFFAOYSA-N 0 0 193.246 1.620 10 0 ADAERN CCCOC[C@H](O)Cc1ccncc1 83951294 572467841 /nfs/dbraw/zinc/46/78/41/572467841.db2.gz LBUKBYWQCWEQFF-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN CC/C=C/C[C@@H](O)C(=O)OCC 238258336 572467843 /nfs/dbraw/zinc/46/78/43/572467843.db2.gz RCVGSNZIMYTMRS-HQZHTGGTSA-N 0 0 172.224 1.267 10 0 ADAERN CSCC[C@@H](O)Cc1ccccn1 83950761 572467856 /nfs/dbraw/zinc/46/78/56/572467856.db2.gz WYMOAFBKTQRIKP-SNVBAGLBSA-N 0 0 197.303 1.738 10 0 ADAERN COC(OC)[C@H](C)[C@@H](O)C(C)C 308037053 572467859 /nfs/dbraw/zinc/46/78/59/572467859.db2.gz LCMHCLDCFBHHNW-SFYZADRCSA-N 0 0 176.256 1.258 10 0 ADAERN CC[C@H](OC)[C@@H](CC(C)(C)C)NN 713254339 572467863 /nfs/dbraw/zinc/46/78/63/572467863.db2.gz GLXAQLYKDHZFGZ-BDAKNGLRSA-N 0 0 188.315 1.680 10 0 ADAERN C/C=C\C(=O)Oc1cccnc1 308036914 572467880 /nfs/dbraw/zinc/46/78/80/572467880.db2.gz KYMOTTRPROIDNQ-RQOWECAXSA-N 0 0 163.176 1.563 10 0 ADAERN C=COCCOC(=O)/C(C)=C/C 308035965 572467885 /nfs/dbraw/zinc/46/78/85/572467885.db2.gz KNIYHQHKUNKAHR-XBXARRHUSA-N 0 0 170.208 1.656 10 0 ADAERN CCOC(=O)[C@@H](CC)N1CCC1 308036898 572467937 /nfs/dbraw/zinc/46/79/37/572467937.db2.gz KXRCLXUWVMKZPS-MRVPVSSYSA-N 0 0 171.240 1.034 10 0 ADAERN O[C@H]1CCC[C@H]1c1cnccn1 69049382 572467945 /nfs/dbraw/zinc/46/79/45/572467945.db2.gz GZEKWYDIQGMWDK-CBAPKCEASA-N 0 0 164.208 1.105 10 0 ADAERN COc1ccc(C=NN)cc1Cl 388427103 572467949 /nfs/dbraw/zinc/46/79/49/572467949.db2.gz LAMHANYDGXKWAJ-UHFFFAOYSA-N 0 0 184.626 1.641 10 0 ADAERN CCSCC(=O)Cc1ccccn1 83951211 572467956 /nfs/dbraw/zinc/46/79/56/572467956.db2.gz DRSONZXNYHMUKW-UHFFFAOYSA-N 0 0 195.287 1.946 10 0 ADAERN N[C@@H](c1ccco1)[C@@H](O)C(F)(F)F 74245527 572468028 /nfs/dbraw/zinc/46/80/28/572468028.db2.gz AFIXUTBKAWGUEP-NTSWFWBYSA-N 0 0 195.140 1.203 10 0 ADAERN CCCC1(CCO)OCCCO1 114442589 572467990 /nfs/dbraw/zinc/46/79/90/572467990.db2.gz SVQQHXMPDGCUIL-UHFFFAOYSA-N 0 0 174.240 1.302 10 0 ADAERN CSC[C@H](O)Cc1ccncc1 83951309 572468022 /nfs/dbraw/zinc/46/80/22/572468022.db2.gz KFZOVXLKUWSRRL-SECBINFHSA-N 0 0 183.276 1.348 10 0 ADAERN Nc1ncccc1CCc1ccncc1 83951882 572468027 /nfs/dbraw/zinc/46/80/27/572468027.db2.gz YBRTZCHCCDPNIN-UHFFFAOYSA-N 0 0 199.257 1.844 10 0 ADAERN CC[C@@H](Cc1ccccn1)C(=O)OC 83951359 572468046 /nfs/dbraw/zinc/46/80/46/572468046.db2.gz FXYDDPCTAOGBAZ-VIFPVBQESA-N 0 0 193.246 1.823 10 0 ADAERN CSCC[C@@H](O)Cc1ccncc1 83950763 572468050 /nfs/dbraw/zinc/46/80/50/572468050.db2.gz SXJNWPYLRJYBQI-SNVBAGLBSA-N 0 0 197.303 1.738 10 0 ADAERN CCO[C@@H](C)[C@H](O)Cc1ccncc1 83951339 572468074 /nfs/dbraw/zinc/46/80/74/572468074.db2.gz QAKSUOITOBODDO-GXSJLCMTSA-N 0 0 195.262 1.410 10 0 ADAERN C[C@@H](CO)CCc1ccccn1 83952295 572468098 /nfs/dbraw/zinc/46/80/98/572468098.db2.gz PUKZGDSYTYNQQP-SECBINFHSA-N 0 0 165.236 1.643 10 0 ADAERN CCO[C@H](C)[C@H](O)Cc1ccncc1 83951340 572468170 /nfs/dbraw/zinc/46/81/70/572468170.db2.gz QAKSUOITOBODDO-MWLCHTKSSA-N 0 0 195.262 1.410 10 0 ADAERN C[C@@H](CO)CCc1ccncc1 83952297 572468181 /nfs/dbraw/zinc/46/81/81/572468181.db2.gz DRAGLXPTHIZQMA-SECBINFHSA-N 0 0 165.236 1.643 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1cnccn1 69048888 572468236 /nfs/dbraw/zinc/46/82/36/572468236.db2.gz XNHPQDDMPQNEKJ-WCBMZHEXSA-N 0 0 180.251 1.730 10 0 ADAERN N[C@H](c1ccco1)[C@H](O)C(F)(F)F 74245526 572468270 /nfs/dbraw/zinc/46/82/70/572468270.db2.gz AFIXUTBKAWGUEP-RITPCOANSA-N 0 0 195.140 1.203 10 0 ADAERN COC[C@@H](C)Cc1nc(C(C)C)n[nH]1 87436207 572468277 /nfs/dbraw/zinc/46/82/77/572468277.db2.gz LOPLWVZTHRBGJU-QMMMGPOBSA-N 0 0 197.282 1.753 10 0 ADAERN CC(=O)c1ccnc(SCCO)c1 87400618 572468283 /nfs/dbraw/zinc/46/82/83/572468283.db2.gz BSBWFNONGYGSBI-UHFFFAOYSA-N 0 0 197.259 1.369 10 0 ADAERN C[C@H]1C[C@H]1CC(=O)NCC1CC1 308037011 572468288 /nfs/dbraw/zinc/46/82/88/572468288.db2.gz LBRBGPRMBYRDCV-CBAPKCEASA-N 0 0 167.252 1.559 10 0 ADAERN CCOCCCC1N=NC(=S)N1 87436245 572468295 /nfs/dbraw/zinc/46/82/95/572468295.db2.gz RGQXCVZSVDWDJN-UHFFFAOYSA-N 0 0 187.268 1.063 10 0 ADAERN CCOc1ccc(NC[C@@H](C)O)cn1 87399538 572468298 /nfs/dbraw/zinc/46/82/98/572468298.db2.gz CHVBWYVGXYYJDM-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN Cc1cc(-c2nc(C)sc2N)on1 74244490 572468320 /nfs/dbraw/zinc/46/83/20/572468320.db2.gz DTNWCTXWXBPVQO-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CC[C@@H](O)[C@H](CO)CCC(C)C 308036432 572468337 /nfs/dbraw/zinc/46/83/37/572468337.db2.gz KTPQJOMJKFCXOE-VHSXEESVSA-N 0 0 174.284 1.802 10 0 ADAERN O=C(Cc1ccncc1)c1cnccn1 69049089 572468349 /nfs/dbraw/zinc/46/83/49/572468349.db2.gz VGWXZKDHAWUDJV-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN O[C@H](c1ccsc1)c1cnccn1 69048964 572468351 /nfs/dbraw/zinc/46/83/51/572468351.db2.gz BQFNRJVHBQHUAA-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN CCn1ccnc1[C@@H]1CCCC[C@H]1O 69048503 572468361 /nfs/dbraw/zinc/46/83/61/572468361.db2.gz YCCDEEPOIKWBHZ-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@H]1CCC[C@@H]1c1cnccn1 69049384 572468367 /nfs/dbraw/zinc/46/83/67/572468367.db2.gz GZEKWYDIQGMWDK-APPZFPTMSA-N 0 0 164.208 1.105 10 0 ADAERN CCNC(=O)N[C@@H](C)CC(F)F 308036317 572468387 /nfs/dbraw/zinc/46/83/87/572468387.db2.gz KRZNDFPUJBDPNQ-YFKPBYRVSA-N 0 0 180.198 1.349 10 0 ADAERN CC(=O)c1ccnc(OCCCO)c1 87400574 572468427 /nfs/dbraw/zinc/46/84/27/572468427.db2.gz CJULZISMYFRRPV-UHFFFAOYSA-N 0 0 195.218 1.045 10 0 ADAERN CCn1ccnc1[C@@H]1CCCC[C@@H]1O 69048500 572468434 /nfs/dbraw/zinc/46/84/34/572468434.db2.gz YCCDEEPOIKWBHZ-ZJUUUORDSA-N 0 0 194.278 1.922 10 0 ADAERN Cc1cnn(C(C)C)c1 40926752 572468435 /nfs/dbraw/zinc/46/84/35/572468435.db2.gz XBHHKVWZNGPYQD-UHFFFAOYSA-N 0 0 124.187 1.772 10 0 ADAERN Cc1nsc(C)c1-c1oncc1N 74244487 572468417 /nfs/dbraw/zinc/46/84/17/572468417.db2.gz IFSPCDRIYDKMSE-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CCN(/C=C\C(=O)OC)C(C)C 90449617 572468448 /nfs/dbraw/zinc/46/84/48/572468448.db2.gz FKHRJBDYEPKVDT-SREVYHEPSA-N 0 0 171.240 1.403 10 0 ADAERN CCC[C@@H](O)[C@@H](O)c1ccccc1O 238258045 572468449 /nfs/dbraw/zinc/46/84/49/572468449.db2.gz FIBUOZGKIYUHJV-MNOVXSKESA-N 0 0 196.246 1.587 10 0 ADAERN CCOC(=O)[C@H](O)C1=CCCC[C@@H]1C 238257995 572468464 /nfs/dbraw/zinc/46/84/64/572468464.db2.gz IGTFYGLXNQPUEZ-WCBMZHEXSA-N 0 0 198.262 1.657 10 0 ADAERN CCCC[S@](=O)[C@H]1CCC[C@@H]1O 238259149 572474195 /nfs/dbraw/zinc/47/41/95/572474195.db2.gz XXFUCDDRNBBSNU-AUTRQRHGSA-N 0 0 190.308 1.449 10 0 ADAERN CC(=O)CCOc1ccc(N)cc1F 76852012 572468550 /nfs/dbraw/zinc/46/85/50/572468550.db2.gz VIGXKNJKIFZJRB-UHFFFAOYSA-N 0 0 197.209 1.766 10 0 ADAERN CCn1ccnc1[C@H]1CCCC[C@H]1O 69048505 572468610 /nfs/dbraw/zinc/46/86/10/572468610.db2.gz YCCDEEPOIKWBHZ-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN N[C@@H](c1ccco1)[C@H](O)C(F)(F)F 74245524 572468609 /nfs/dbraw/zinc/46/86/09/572468609.db2.gz AFIXUTBKAWGUEP-WDSKDSINSA-N 0 0 195.140 1.203 10 0 ADAERN CCC[C@](O)(CC)[C@@H](C)OC(N)=O 238258679 572468618 /nfs/dbraw/zinc/46/86/18/572468618.db2.gz SHTXFCWJVKREIA-VXNVDRBHSA-N 0 0 189.255 1.411 10 0 ADAERN CCCC[S@@](=O)[C@H]1CCC[C@@H]1O 238258517 572468625 /nfs/dbraw/zinc/46/86/25/572468625.db2.gz XXFUCDDRNBBSNU-HOTUBEGUSA-N 0 0 190.308 1.449 10 0 ADAERN CC(C)CC[C@H](O)Cc1ncnn1C 83973549 572468627 /nfs/dbraw/zinc/46/86/27/572468627.db2.gz SZHAOSVPDCPVDU-VIFPVBQESA-N 0 0 197.282 1.155 10 0 ADAERN CCOCCCc1nc(C2CC2)n[nH]1 87436217 572468638 /nfs/dbraw/zinc/46/86/38/572468638.db2.gz LHECWYBKPGUAIH-UHFFFAOYSA-N 0 0 195.266 1.651 10 0 ADAERN CCC[C@@H](C)Oc1ncc(C)c(=O)[n-]1 238257559 572468639 /nfs/dbraw/zinc/46/86/39/572468639.db2.gz ZFCZOSPDMFFEJY-MRVPVSSYSA-N 0 0 196.250 1.646 10 0 ADAERN CCOCC(=[NH2+])CC(=O)CC 238258504 572468701 /nfs/dbraw/zinc/46/87/01/572468701.db2.gz VRCIQMUMTNDZLE-UHFFFAOYSA-N 0 0 157.213 1.412 10 0 ADAERN COC[C@@H](C)Cc1nc(C2CC2)n[nH]1 87436214 572468778 /nfs/dbraw/zinc/46/87/78/572468778.db2.gz LBAYUNXCMMEJBV-ZETCQYMHSA-N 0 0 195.266 1.507 10 0 ADAERN O[C@@H]1CCC[C@@H]1c1cnccn1 69049388 572468791 /nfs/dbraw/zinc/46/87/91/572468791.db2.gz GZEKWYDIQGMWDK-VXNVDRBHSA-N 0 0 164.208 1.105 10 0 ADAERN CC(=O)[C@H](Cc1ncnn1C)C(C)C 83971845 572468825 /nfs/dbraw/zinc/46/88/25/572468825.db2.gz SUUYKKQLTXDVQB-SECBINFHSA-N 0 0 195.266 1.219 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1cnccn1 69048885 572468842 /nfs/dbraw/zinc/46/88/42/572468842.db2.gz XNHPQDDMPQNEKJ-SCZZXKLOSA-N 0 0 180.251 1.730 10 0 ADAERN Cc1ccnc(C(=O)c2cnccn2)c1 69049102 572468888 /nfs/dbraw/zinc/46/88/88/572468888.db2.gz YEQFKWXYBQRBPR-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CCC[C@H](O)C/C=C/C[C@H](C)O 238262774 572477923 /nfs/dbraw/zinc/47/79/23/572477923.db2.gz IIPGPHVRBSGPOG-AWAZDUCLSA-N 0 0 172.268 1.865 10 0 ADAERN COCCCc1nc(C(C)C)n[nH]1 87436208 572468917 /nfs/dbraw/zinc/46/89/17/572468917.db2.gz QUYGULAIKUIIJG-UHFFFAOYSA-N 0 0 183.255 1.507 10 0 ADAERN C(=C\c1ccncc1)\CC1OCCO1 207472341 572468920 /nfs/dbraw/zinc/46/89/20/572468920.db2.gz MNSQDJMAWOEOTM-UPHRSURJSA-N 0 0 191.230 1.858 10 0 ADAERN Cc1ccn(C)c1[C@@H](C)N(O)C(N)=O 74240073 572468936 /nfs/dbraw/zinc/46/89/36/572468936.db2.gz AYLAPCNURIJYHJ-SSDOTTSWSA-N 0 0 197.238 1.164 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)NCC1CC1 308037006 572468939 /nfs/dbraw/zinc/46/89/39/572468939.db2.gz LBRBGPRMBYRDCV-APPZFPTMSA-N 0 0 167.252 1.559 10 0 ADAERN CC[C@@H](C)[C@](C)(O)Cc1ncnn1C 83972690 572469248 /nfs/dbraw/zinc/46/92/48/572469248.db2.gz TZYXFCMSQPDGEA-PSASIEDQSA-N 0 0 197.282 1.155 10 0 ADAERN Cc1ccc([C@@H](C)N(O)C(N)=O)n1C 74240079 572468969 /nfs/dbraw/zinc/46/89/69/572468969.db2.gz SLUVTDXEFPPROF-SSDOTTSWSA-N 0 0 197.238 1.164 10 0 ADAERN CCOC(=O)[C@H](O)C1=CCCC[C@H]1C 238258004 572468983 /nfs/dbraw/zinc/46/89/83/572468983.db2.gz IGTFYGLXNQPUEZ-PSASIEDQSA-N 0 0 198.262 1.657 10 0 ADAERN CC(F)(F)CCOC(=O)C(F)F 308036890 572468989 /nfs/dbraw/zinc/46/89/89/572468989.db2.gz KWPQFHSLAZSQCA-UHFFFAOYSA-N 0 0 188.120 1.840 10 0 ADAERN CCOC(=O)Cc1cc(CC)c(C)[nH]1 238257811 572469023 /nfs/dbraw/zinc/46/90/23/572469023.db2.gz ZEMZYZBDPWRMLC-UHFFFAOYSA-N 0 0 195.262 1.991 10 0 ADAERN CCOC(=O)[C@@H](O)Cc1ccc(C)o1 238257906 572469034 /nfs/dbraw/zinc/46/90/34/572469034.db2.gz RYMGPEAWSZQCAG-VIFPVBQESA-N 0 0 198.218 1.055 10 0 ADAERN CC[C@H](O)[C@@H](CO)CCC(C)C 308036442 572469046 /nfs/dbraw/zinc/46/90/46/572469046.db2.gz KTPQJOMJKFCXOE-ZJUUUORDSA-N 0 0 174.284 1.802 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1cnccn1 69048887 572469053 /nfs/dbraw/zinc/46/90/53/572469053.db2.gz XNHPQDDMPQNEKJ-PSASIEDQSA-N 0 0 180.251 1.730 10 0 ADAERN CC(=O)[C@H](C)N(C)CCOCC1CC1 87399980 572469074 /nfs/dbraw/zinc/46/90/74/572469074.db2.gz HPARZCTWCDEIPK-VIFPVBQESA-N 0 0 199.294 1.322 10 0 ADAERN C[C@](O)(c1cnccn1)C1CC1 69048877 572469093 /nfs/dbraw/zinc/46/90/93/572469093.db2.gz XJHJRMWIMIOWPR-SECBINFHSA-N 0 0 164.208 1.094 10 0 ADAERN CCc1n[nH]c(C[C@@H](C)COC)n1 87436202 572469099 /nfs/dbraw/zinc/46/90/99/572469099.db2.gz KEVQVODDLNRYMJ-SSDOTTSWSA-N 0 0 183.255 1.192 10 0 ADAERN CCOC(=O)CC1=CCO[C@@H](C)[C@@H]1C 238257303 572469116 /nfs/dbraw/zinc/46/91/16/572469116.db2.gz QNQMTUSGLJZBMB-IUCAKERBSA-N 0 0 198.262 1.921 10 0 ADAERN CCN[C@@H](C(F)(F)F)C(C)(C)OC 308037161 572469118 /nfs/dbraw/zinc/46/91/18/572469118.db2.gz JBCDLRIAPFWWEP-ZCFIWIBFSA-N 0 0 199.216 1.952 10 0 ADAERN CC/C=C/C[C@H](O)C(=O)OCC 238257863 572469132 /nfs/dbraw/zinc/46/91/32/572469132.db2.gz RCVGSNZIMYTMRS-GJIOHYHPSA-N 0 0 172.224 1.267 10 0 ADAERN Cc1ccc([C@H](O)c2cnccn2)o1 69048949 572469172 /nfs/dbraw/zinc/46/91/72/572469172.db2.gz DWSPADZNVSSEPX-SNVBAGLBSA-N 0 0 190.202 1.460 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)Cc1ncnn1C 83972694 572469177 /nfs/dbraw/zinc/46/91/77/572469177.db2.gz TZYXFCMSQPDGEA-SCZZXKLOSA-N 0 0 197.282 1.155 10 0 ADAERN CC(=O)COc1ccc(N)cc1F 76851652 572469181 /nfs/dbraw/zinc/46/91/81/572469181.db2.gz FKXVPBKXKSIHPY-UHFFFAOYSA-N 0 0 183.182 1.376 10 0 ADAERN CCOC(=O)C(CC(C)C)=C(C)N 308037436 572469200 /nfs/dbraw/zinc/46/92/00/572469200.db2.gz XZJCIIKKLOJZNH-HJWRWDBZSA-N 0 0 185.267 1.828 10 0 ADAERN O[C@H](CC(F)(F)F)c1cnccn1 69049112 572469263 /nfs/dbraw/zinc/46/92/63/572469263.db2.gz DLFYKAIVIDIZBF-ZCFIWIBFSA-N 0 0 192.140 1.462 10 0 ADAERN CC(=O)[C@@H](C)N(C)CCOCC1CC1 87399981 572469295 /nfs/dbraw/zinc/46/92/95/572469295.db2.gz HPARZCTWCDEIPK-SECBINFHSA-N 0 0 199.294 1.322 10 0 ADAERN CCCCC[C@H](O)Cc1ncnn1C 83972971 572469300 /nfs/dbraw/zinc/46/93/00/572469300.db2.gz BBUWACHRQHPJNG-VIFPVBQESA-N 0 0 197.282 1.299 10 0 ADAERN CCC(CC)[C@H](O)Cc1ncnn1C 83972850 572469310 /nfs/dbraw/zinc/46/93/10/572469310.db2.gz GTXVMGNFBXOQRR-SECBINFHSA-N 0 0 197.282 1.155 10 0 ADAERN Cc1snc(-c2oncc2N)c1C 74244489 572469317 /nfs/dbraw/zinc/46/93/17/572469317.db2.gz FGKDPCLEAOHKJZ-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN COC[C@H](C)Cc1nc(C2CC2)n[nH]1 87436215 572469325 /nfs/dbraw/zinc/46/93/25/572469325.db2.gz LBAYUNXCMMEJBV-SSDOTTSWSA-N 0 0 195.266 1.507 10 0 ADAERN CCCc1n[nH]c(CCCOCC)n1 87436213 572469345 /nfs/dbraw/zinc/46/93/45/572469345.db2.gz HAUWYSZDOBUVER-UHFFFAOYSA-N 0 0 197.282 1.726 10 0 ADAERN COCCCc1nc(C2CC2)n[nH]1 87436216 572469363 /nfs/dbraw/zinc/46/93/63/572469363.db2.gz KCLOVJFVCHNLBH-UHFFFAOYSA-N 0 0 181.239 1.261 10 0 ADAERN CCC(=O)CN(C)CCOCC1CC1 87399974 572469394 /nfs/dbraw/zinc/46/93/94/572469394.db2.gz XMTURSFKWUYVDM-UHFFFAOYSA-N 0 0 199.294 1.324 10 0 ADAERN CC(=O)CCc1ncnn1CC(C)C 83979059 572472324 /nfs/dbraw/zinc/47/23/24/572472324.db2.gz YDRRNNPSLITTIS-UHFFFAOYSA-N 0 0 195.266 1.456 10 0 ADAERN CC(C)CC[C@@H](O)Cc1ncnn1C 83973551 572469467 /nfs/dbraw/zinc/46/94/67/572469467.db2.gz SZHAOSVPDCPVDU-SECBINFHSA-N 0 0 197.282 1.155 10 0 ADAERN CCOc1c(OC)cc(O)cc1OC 238258550 572469505 /nfs/dbraw/zinc/46/95/05/572469505.db2.gz UWAMSVPDAOIJBZ-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CC[C@H](C)[C@@](C)(O)Cc1ncnn1C 83972695 572469564 /nfs/dbraw/zinc/46/95/64/572469564.db2.gz TZYXFCMSQPDGEA-WPRPVWTQSA-N 0 0 197.282 1.155 10 0 ADAERN Cc1nc(CNCCC2CCC2)no1 235929088 572472632 /nfs/dbraw/zinc/47/26/32/572472632.db2.gz OJHGBVPYAUKTQB-UHFFFAOYSA-N 0 0 195.266 1.658 10 0 ADAERN CCOC(=O)CC1=CCO[C@@H](C)[C@H]1C 238257315 572469594 /nfs/dbraw/zinc/46/95/94/572469594.db2.gz QNQMTUSGLJZBMB-BDAKNGLRSA-N 0 0 198.262 1.921 10 0 ADAERN CCCc1n[nH]c(CCCOC)n1 87436212 572469608 /nfs/dbraw/zinc/46/96/08/572469608.db2.gz WBHDJHCQAZNGHK-UHFFFAOYSA-N 0 0 183.255 1.336 10 0 ADAERN CCCC(=O)CCCc1ncnn1C 83976266 572473035 /nfs/dbraw/zinc/47/30/35/572473035.db2.gz PNNHFFVZQJNKHH-UHFFFAOYSA-N 0 0 195.266 1.507 10 0 ADAERN COCc1cccc(C(=N)OC)c1 83968225 572469693 /nfs/dbraw/zinc/46/96/93/572469693.db2.gz UPZILQCMRUPEFX-UHFFFAOYSA-N 0 0 179.219 1.805 10 0 ADAERN CCOC(=O)[C@H](O)CCc1ccco1 238258241 572469707 /nfs/dbraw/zinc/46/97/07/572469707.db2.gz AVEYNHKBVQNEBL-SECBINFHSA-N 0 0 198.218 1.136 10 0 ADAERN CCOC(=O)[C@@H](O)CCc1ccco1 238257722 572469712 /nfs/dbraw/zinc/46/97/12/572469712.db2.gz AVEYNHKBVQNEBL-VIFPVBQESA-N 0 0 198.218 1.136 10 0 ADAERN C/C=C(\CC)[C@H](O)C(=O)OCC 238257323 572469732 /nfs/dbraw/zinc/46/97/32/572469732.db2.gz ALCCHUCXSUDWPI-IPWDFOCMSA-N 0 0 172.224 1.267 10 0 ADAERN Cn1ncnc1CCC(=O)C(C)(C)C 83971799 572469769 /nfs/dbraw/zinc/46/97/69/572469769.db2.gz IBRUQTIEGMTKNS-UHFFFAOYSA-N 0 0 195.266 1.363 10 0 ADAERN CCCC[S@](=O)CCCCO 238258713 572469773 /nfs/dbraw/zinc/46/97/73/572469773.db2.gz XQNCZWGHSCSGIY-NSHDSACASA-N 0 0 178.297 1.308 10 0 ADAERN C/C=C(\C)C[C@@H](O)C(=O)OCC 238258140 572469789 /nfs/dbraw/zinc/46/97/89/572469789.db2.gz JNIDWHBIFAPBMH-RXLGXGPVSA-N 0 0 172.224 1.267 10 0 ADAERN CCCC[C@@H](CC)CNC(=O)NO 238258658 572469814 /nfs/dbraw/zinc/46/98/14/572469814.db2.gz KKZKINGUSXGPFY-MRVPVSSYSA-N 0 0 188.271 1.891 10 0 ADAERN Cn1ncnc1C[C@@H](O)CC(C)(C)C 83972975 572469829 /nfs/dbraw/zinc/46/98/29/572469829.db2.gz CZAJPQSMIQMHRF-MRVPVSSYSA-N 0 0 197.282 1.155 10 0 ADAERN Nc1ncccc1OCOCC1CC1 236377945 572469844 /nfs/dbraw/zinc/46/98/44/572469844.db2.gz SAPNESLTIRVMEC-UHFFFAOYSA-N 0 0 194.234 1.427 10 0 ADAERN CSC[C@H](C)Nc1cc(C)cnn1 235066336 572469886 /nfs/dbraw/zinc/46/98/86/572469886.db2.gz LXNIMILPXYKJEH-QMMMGPOBSA-N 0 0 197.307 1.948 10 0 ADAERN CC[C@@](O)(Cc1ncnn1C)C(C)C 83972697 572469937 /nfs/dbraw/zinc/46/99/37/572469937.db2.gz IYJAMJRUMLVGDA-SNVBAGLBSA-N 0 0 197.282 1.155 10 0 ADAERN CCOC(=O)[C@@H](O)[C@@](C)(F)CC 238258627 572469941 /nfs/dbraw/zinc/46/99/41/572469941.db2.gz CLCSTGFHSUZUHZ-SVRRBLITSA-N 0 0 178.203 1.049 10 0 ADAERN CCn1sc(Cl)cc1=O 40901529 572469952 /nfs/dbraw/zinc/46/99/52/572469952.db2.gz MMONDPHQMXRZDG-UHFFFAOYSA-N 0 0 163.629 1.583 10 0 ADAERN COCc1ccccc1C(=N)OC 83968954 572470002 /nfs/dbraw/zinc/47/00/02/572470002.db2.gz PIHFEBNSIZVVEG-UHFFFAOYSA-N 0 0 179.219 1.805 10 0 ADAERN Nc1c(Cl)n[nH]c1-c1ccncc1 74245596 572470004 /nfs/dbraw/zinc/47/00/04/572470004.db2.gz AMKDDFMIACCRHM-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN CCc1n[nH]c(C[C@H](C)COC)n1 87436203 572470008 /nfs/dbraw/zinc/47/00/08/572470008.db2.gz KEVQVODDLNRYMJ-ZETCQYMHSA-N 0 0 183.255 1.192 10 0 ADAERN Cn1ncnc1CC[C@@H](O)C(C)(C)C 83974866 572473369 /nfs/dbraw/zinc/47/33/69/572473369.db2.gz KVNKPALFLPXLJJ-MRVPVSSYSA-N 0 0 197.282 1.155 10 0 ADAERN CCC[C@@H](C)[C@@H](CO)CCCO 238258065 572470021 /nfs/dbraw/zinc/47/00/21/572470021.db2.gz ZPJNUUSRAVHTCI-NXEZZACHSA-N 0 0 174.284 1.804 10 0 ADAERN Cc1nnc2oc3ccccc3n12 34067135 572470048 /nfs/dbraw/zinc/47/00/48/572470048.db2.gz YIAIXKQIPXEULC-UHFFFAOYSA-N 0 0 173.175 1.784 10 0 ADAERN CCOCCCc1nc(C(C)C)n[nH]1 87436209 572470078 /nfs/dbraw/zinc/47/00/78/572470078.db2.gz CJYFFNQSGCKEFO-UHFFFAOYSA-N 0 0 197.282 1.897 10 0 ADAERN CCCc1n[nH]c(C[C@@H](C)COC)n1 87436210 572470098 /nfs/dbraw/zinc/47/00/98/572470098.db2.gz GYVLCTHILZTMTC-MRVPVSSYSA-N 0 0 197.282 1.582 10 0 ADAERN CCC[C@H](C)[C@@H](O)Cc1ncnn1C 83972965 572470104 /nfs/dbraw/zinc/47/01/04/572470104.db2.gz VLHYMBGNDQIIPT-IUCAKERBSA-N 0 0 197.282 1.155 10 0 ADAERN Cc1ccc([C@H](C)N(O)C(N)=O)n1C 74240081 572470132 /nfs/dbraw/zinc/47/01/32/572470132.db2.gz SLUVTDXEFPPROF-ZETCQYMHSA-N 0 0 197.238 1.164 10 0 ADAERN CCOC(=O)[C@@H](O)C(F)(CC)CC 238257283 572470182 /nfs/dbraw/zinc/47/01/82/572470182.db2.gz KLIPQEZDSRDSRN-SSDOTTSWSA-N 0 0 192.230 1.439 10 0 ADAERN CCOC(=O)[C@H](O)C1=C(C)CCCC1 238257970 572470195 /nfs/dbraw/zinc/47/01/95/572470195.db2.gz UMIYXSAZMWTMPH-SNVBAGLBSA-N 0 0 198.262 1.801 10 0 ADAERN CCn1ncnc1CC(O)(CC)CC 83980719 572472543 /nfs/dbraw/zinc/47/25/43/572472543.db2.gz FLGQAYBODVOWIK-UHFFFAOYSA-N 0 0 197.282 1.392 10 0 ADAERN CCC(=O)O[C@@H]1CCC[C@@H]1OC 308039545 572470239 /nfs/dbraw/zinc/47/02/39/572470239.db2.gz MPUFKKKKQDEZMH-JGVFFNPUSA-N 0 0 172.224 1.507 10 0 ADAERN CCCn1cc(CCC(=O)OC)cn1 238260267 572474600 /nfs/dbraw/zinc/47/46/00/572474600.db2.gz RQEJGMSTYXULQI-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN Cc1cc2c(o1)C[C@H](C)[NH2+][C@@H]2C(=O)[O-] 74245044 572472549 /nfs/dbraw/zinc/47/25/49/572472549.db2.gz TYRJJUOEJXOBQM-CDUCUWFYSA-N 0 0 195.218 1.248 10 0 ADAERN CC/C=C/CC[C@@H](O)C(=O)OCC 238258233 572470308 /nfs/dbraw/zinc/47/03/08/572470308.db2.gz GNHKHKQNMVSHRT-VUHVRTRXSA-N 0 0 186.251 1.657 10 0 ADAERN CCCC(=O)CCc1ncnn1C 83971795 572470424 /nfs/dbraw/zinc/47/04/24/572470424.db2.gz SLLCTBMNKGAYCH-UHFFFAOYSA-N 0 0 181.239 1.117 10 0 ADAERN CC[C@H](C)[C@](C)(O)Cc1ncnn1C 83972692 572470435 /nfs/dbraw/zinc/47/04/35/572470435.db2.gz TZYXFCMSQPDGEA-WCBMZHEXSA-N 0 0 197.282 1.155 10 0 ADAERN COC(=O)[C@H]([C@H](C)O)C(C)(C)C 308038997 572470450 /nfs/dbraw/zinc/47/04/50/572470450.db2.gz MHADZWDRGXLIQS-BQBZGAKWSA-N 0 0 174.240 1.203 10 0 ADAERN CCC[C@@H](C)[C@@H](O)Cc1ncnn1C 83972963 572470451 /nfs/dbraw/zinc/47/04/51/572470451.db2.gz VLHYMBGNDQIIPT-BDAKNGLRSA-N 0 0 197.282 1.155 10 0 ADAERN CCC[C@](O)(CC)[C@H](C)OC(N)=O 238258731 572470494 /nfs/dbraw/zinc/47/04/94/572470494.db2.gz SHTXFCWJVKREIA-IONNQARKSA-N 0 0 189.255 1.411 10 0 ADAERN CC[C@@H](C)OC(=O)NCOC(C)=O 238258508 572470499 /nfs/dbraw/zinc/47/04/99/572470499.db2.gz LXAKZODDAQLTJC-ZCFIWIBFSA-N 0 0 189.211 1.032 10 0 ADAERN C[C@@H](C(=O)N(C)C)c1cccc(N)c1 235070673 572470561 /nfs/dbraw/zinc/47/05/61/572470561.db2.gz HVYQFVYBSHLQTO-MRVPVSSYSA-N 0 0 192.262 1.461 10 0 ADAERN CCC(CC)OCC1(CO)CC1 308039169 572470585 /nfs/dbraw/zinc/47/05/85/572470585.db2.gz MLAJJAHSKCRBKF-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN COCc1nc2c(C=O)c(C)oc2o1 74245491 572470596 /nfs/dbraw/zinc/47/05/96/572470596.db2.gz MHYMXXKZZJLTCK-UHFFFAOYSA-N 0 0 195.174 1.688 10 0 ADAERN CCSCCNC(=O)N(C)CC 308038803 572470597 /nfs/dbraw/zinc/47/05/97/572470597.db2.gz LZMBHHJIBOAVIO-UHFFFAOYSA-N 0 0 190.312 1.401 10 0 ADAERN CCCC[S@@](=O)C[C@@H](O)C(C)C 238258225 572470605 /nfs/dbraw/zinc/47/06/05/572470605.db2.gz IAJTWTHXDZSKNI-BXKDBHETSA-N 0 0 192.324 1.552 10 0 ADAERN CCC[C@@H](C)[C@H](O)Cc1ncnn1C 83972959 572470636 /nfs/dbraw/zinc/47/06/36/572470636.db2.gz VLHYMBGNDQIIPT-RKDXNWHRSA-N 0 0 197.282 1.155 10 0 ADAERN CC[C@](O)(Cc1ncnn1C)C(C)C 83972699 572470669 /nfs/dbraw/zinc/47/06/69/572470669.db2.gz IYJAMJRUMLVGDA-JTQLQIEISA-N 0 0 197.282 1.155 10 0 ADAERN CC(C)OCC1(CO)CCCC1 308038399 572470689 /nfs/dbraw/zinc/47/06/89/572470689.db2.gz LVRFPIRXPIXWDT-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN CCOC(=O)[C@H](O)C(F)(CC)CC 238257917 572470753 /nfs/dbraw/zinc/47/07/53/572470753.db2.gz KLIPQEZDSRDSRN-ZETCQYMHSA-N 0 0 192.230 1.439 10 0 ADAERN CCOC(=O)[C@H](O)SC(C)(C)C 238258503 572470789 /nfs/dbraw/zinc/47/07/89/572470789.db2.gz WKFGJTJLQLZWBM-SSDOTTSWSA-N 0 0 192.280 1.400 10 0 ADAERN CCC[C@](CO)([C@@H](C)O)[C@@H](C)OC 238257923 572470798 /nfs/dbraw/zinc/47/07/98/572470798.db2.gz WYPJNKGOBUEEMD-BBBLOLIVSA-N 0 0 190.283 1.181 10 0 ADAERN Cn1ncnc1C[C@H](O)CC(C)(C)C 83972976 572470810 /nfs/dbraw/zinc/47/08/10/572470810.db2.gz CZAJPQSMIQMHRF-QMMMGPOBSA-N 0 0 197.282 1.155 10 0 ADAERN CCCOc1cc(N)nc(OCC)n1 238257556 572470847 /nfs/dbraw/zinc/47/08/47/572470847.db2.gz APJHGQOUQCUFID-UHFFFAOYSA-N 0 0 197.238 1.246 10 0 ADAERN CCCC[C@@H]1CC[C@@H](O)[C@H]1CO 308038439 572470891 /nfs/dbraw/zinc/47/08/91/572470891.db2.gz LYLPNQIGBFAXGP-KXUCPTDWSA-N 0 0 172.268 1.556 10 0 ADAERN CCC[C@H](C)[C@@H](CO)CCCO 238257869 572470916 /nfs/dbraw/zinc/47/09/16/572470916.db2.gz ZPJNUUSRAVHTCI-VHSXEESVSA-N 0 0 174.284 1.804 10 0 ADAERN CC(=O)CCCCCCCO 13512370 572475025 /nfs/dbraw/zinc/47/50/25/572475025.db2.gz HQVHZUJAAKTDQH-UHFFFAOYSA-N 0 0 158.241 1.908 10 0 ADAERN CCC(CC)[C@@H](O)Cc1ncnn1C 83972852 572471029 /nfs/dbraw/zinc/47/10/29/572471029.db2.gz GTXVMGNFBXOQRR-VIFPVBQESA-N 0 0 197.282 1.155 10 0 ADAERN CCCn1ncnc1CCC(C)=O 83979061 572475134 /nfs/dbraw/zinc/47/51/34/572475134.db2.gz KTOVJBJHIUAPFA-UHFFFAOYSA-N 0 0 181.239 1.210 10 0 ADAERN C[C@H]1C[C@H](c2oncc2C=O)CCO1 74245267 572471101 /nfs/dbraw/zinc/47/11/01/572471101.db2.gz HVOQFHLWBMULBO-JGVFFNPUSA-N 0 0 195.218 1.770 10 0 ADAERN Cn1ncnc1CC(=O)CC(C)(C)C 83973410 572471118 /nfs/dbraw/zinc/47/11/18/572471118.db2.gz FRTOKHYJROZABY-UHFFFAOYSA-N 0 0 195.266 1.363 10 0 ADAERN CCCOc1cc(O)ccc1C(N)=O 238257854 572471144 /nfs/dbraw/zinc/47/11/44/572471144.db2.gz BYWKEJONKXEXSV-UHFFFAOYSA-N 0 0 195.218 1.280 10 0 ADAERN CC(C)[C@@H](Cc1ncnn1C)[C@@H](C)O 83974952 572475137 /nfs/dbraw/zinc/47/51/37/572475137.db2.gz WRJJGYDSAUZALJ-RKDXNWHRSA-N 0 0 197.282 1.011 10 0 ADAERN CCOC(=O)CCC(=O)n1cccc1 238259306 572475031 /nfs/dbraw/zinc/47/50/31/572475031.db2.gz ZUNUIPMHGPABOW-UHFFFAOYSA-N 0 0 195.218 1.472 10 0 ADAERN CCO[C@@H](O)CC(=O)c1ccncc1 238260446 572475033 /nfs/dbraw/zinc/47/50/33/572475033.db2.gz TUQTYCNTXNPUKJ-SNVBAGLBSA-N 0 0 195.218 1.009 10 0 ADAERN CCn1ncnc1C[C@@H](C)C(C)=O 83979105 572475034 /nfs/dbraw/zinc/47/50/34/572475034.db2.gz CHRXHZWUHPZXCD-SSDOTTSWSA-N 0 0 181.239 1.066 10 0 ADAERN COC(=O)c1[nH]cc(C=O)c1C(C)C 74245219 572471246 /nfs/dbraw/zinc/47/12/46/572471246.db2.gz UZJABVVBCNYGTL-UHFFFAOYSA-N 0 0 195.218 1.737 10 0 ADAERN CC(C)CCC(=O)Cc1ncnn1C 83973356 572471255 /nfs/dbraw/zinc/47/12/55/572471255.db2.gz FQOZDTJNQXWGKL-UHFFFAOYSA-N 0 0 195.266 1.363 10 0 ADAERN CCCCC[C@@H](O)Cc1ncnn1C 83972974 572471316 /nfs/dbraw/zinc/47/13/16/572471316.db2.gz BBUWACHRQHPJNG-SECBINFHSA-N 0 0 197.282 1.299 10 0 ADAERN CCOC(=O)C[C@H]1CC(C)(C)CO1 34061008 572471332 /nfs/dbraw/zinc/47/13/32/572471332.db2.gz REBYSCBSHMRYJP-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CCc1oc2c(c1C[NH3+])CCN(C)C2 74246118 572471377 /nfs/dbraw/zinc/47/13/77/572471377.db2.gz AXCJEBXSLIZOSU-UHFFFAOYSA-N 0 0 194.278 1.289 10 0 ADAERN COc1ncccc1C[C@@H](C)C(C)=O 87415179 572471442 /nfs/dbraw/zinc/47/14/42/572471442.db2.gz NYSUTRFVYSZRRY-MRVPVSSYSA-N 0 0 193.246 1.858 10 0 ADAERN COCc1ccc(C(=N)OC)cc1 83969461 572471456 /nfs/dbraw/zinc/47/14/56/572471456.db2.gz ZLFLGADVGVKBJW-UHFFFAOYSA-N 0 0 179.219 1.805 10 0 ADAERN CCOC(=O)CC1=CCO[C@H](C)[C@@H]1C 238257324 572471461 /nfs/dbraw/zinc/47/14/61/572471461.db2.gz QNQMTUSGLJZBMB-DTWKUNHWSA-N 0 0 198.262 1.921 10 0 ADAERN CCC[C@H](C)[C@H](O)Cc1ncnn1C 83972961 572471465 /nfs/dbraw/zinc/47/14/65/572471465.db2.gz VLHYMBGNDQIIPT-DTWKUNHWSA-N 0 0 197.282 1.155 10 0 ADAERN Cc1ccn(C)c1[C@@H](C)N1CC(O)C1 74246069 572471472 /nfs/dbraw/zinc/47/14/72/572471472.db2.gz MSZZQIURUBTWRG-SECBINFHSA-N 0 0 194.278 1.071 10 0 ADAERN C[C@H](O)C(=O)O[C@@H](C)C1CCC1 308038412 572471530 /nfs/dbraw/zinc/47/15/30/572471530.db2.gz LWCDCMBOOZRKEA-BQBZGAKWSA-N 0 0 172.224 1.099 10 0 ADAERN CCOCC(=O)COCC(C)C 238258709 572471531 /nfs/dbraw/zinc/47/15/31/572471531.db2.gz MKRRWHHFDWPYCM-UHFFFAOYSA-N 0 0 174.240 1.265 10 0 ADAERN CC/C=C/CC[C@H](O)C(=O)OCC 238257704 572471657 /nfs/dbraw/zinc/47/16/57/572471657.db2.gz GNHKHKQNMVSHRT-CYNONHLPSA-N 0 0 186.251 1.657 10 0 ADAERN CN/C=C\S(=O)(=O)c1ccccc1 308039837 572471749 /nfs/dbraw/zinc/47/17/49/572471749.db2.gz ZZTHEMFPQICLFF-FPLPWBNLSA-N 0 0 197.259 1.151 10 0 ADAERN CCCC[S@@](=O)C[C@H](O)C(C)C 238258280 572471734 /nfs/dbraw/zinc/47/17/34/572471734.db2.gz IAJTWTHXDZSKNI-JOYOIKCWSA-N 0 0 192.324 1.552 10 0 ADAERN Cc1cc(NC(=O)/C=C\Cl)n(C)n1 308038569 572471758 /nfs/dbraw/zinc/47/17/58/572471758.db2.gz ZTOSFSAFYSKJMY-ARJAWSKDSA-N 0 0 199.641 1.420 10 0 ADAERN C/C=C(\C)C[C@H](O)C(=O)OCC 238257600 572471759 /nfs/dbraw/zinc/47/17/59/572471759.db2.gz JNIDWHBIFAPBMH-IPWDFOCMSA-N 0 0 172.224 1.267 10 0 ADAERN CN[C@H]1C(=O)c2occ(C)c2O[C@@H]1C 74245019 572471838 /nfs/dbraw/zinc/47/18/38/572471838.db2.gz DVIJGCHPVAZFQP-RNFRBKRXSA-N 0 0 195.218 1.140 10 0 ADAERN C[C@H]1CC[N@H+](C2CCCC2)[C@H]1C(=O)[O-] 299955296 572471873 /nfs/dbraw/zinc/47/18/73/572471873.db2.gz HHMVZNXKPDITNJ-WCBMZHEXSA-N 0 0 197.278 1.724 10 0 ADAERN CC(C)Cc1cc(=O)n(CCC[NH3+])[n-]1 250555238 572471874 /nfs/dbraw/zinc/47/18/74/572471874.db2.gz BXBHIFZFNVJIES-UHFFFAOYSA-N 0 0 197.282 1.136 10 0 ADAERN Cc1cc(=O)cc(-c2ccccn2)[nH]1 34089247 572471887 /nfs/dbraw/zinc/47/18/87/572471887.db2.gz ZRASIPBKVFHGMR-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1occ2c1C[C@@H](C)[NH2+][C@H]2C(=O)[O-] 74245051 572471888 /nfs/dbraw/zinc/47/18/88/572471888.db2.gz RJSOINYNGZOXQX-MLUIRONXSA-N 0 0 195.218 1.248 10 0 ADAERN Cc1cc2c(o1)C[C@@H](C)[NH2+][C@@H]2C(=O)[O-] 74245046 572471930 /nfs/dbraw/zinc/47/19/30/572471930.db2.gz TYRJJUOEJXOBQM-ANLVUFKYSA-N 0 0 195.218 1.248 10 0 ADAERN CC(C)[C@@H](Cc1ncnn1C)[C@H](C)O 83974957 572475153 /nfs/dbraw/zinc/47/51/53/572475153.db2.gz WRJJGYDSAUZALJ-DTWKUNHWSA-N 0 0 197.282 1.011 10 0 ADAERN CCCCc1[nH]c(=O)[nH]c1CCC 238260237 572471981 /nfs/dbraw/zinc/47/19/81/572471981.db2.gz ISXFNPQQOHZVTL-UHFFFAOYSA-N 0 0 182.267 1.998 10 0 ADAERN CCC[C@H](C)[C@H](CO)CCCO 238259323 572471988 /nfs/dbraw/zinc/47/19/88/572471988.db2.gz ZPJNUUSRAVHTCI-UWVGGRQHSA-N 0 0 174.284 1.804 10 0 ADAERN CCCCN(C)C(=O)c1nnc(C)o1 62024168 572472014 /nfs/dbraw/zinc/47/20/14/572472014.db2.gz XWGKRPYTIOUZSO-UHFFFAOYSA-N 0 0 197.238 1.250 10 0 ADAERN CCn1ncnc1C[C@@](C)(O)C(C)C 83980736 572472021 /nfs/dbraw/zinc/47/20/21/572472021.db2.gz JYFDFTUOMRWNJW-SNVBAGLBSA-N 0 0 197.282 1.248 10 0 ADAERN CCC(=O)O[C@H]1CCC[C@H]1OC 308039546 572472030 /nfs/dbraw/zinc/47/20/30/572472030.db2.gz MPUFKKKKQDEZMH-SFYZADRCSA-N 0 0 172.224 1.507 10 0 ADAERN CCn1ncnc1C[C@H](C)C(C)=O 83979107 572472044 /nfs/dbraw/zinc/47/20/44/572472044.db2.gz CHRXHZWUHPZXCD-ZETCQYMHSA-N 0 0 181.239 1.066 10 0 ADAERN CCCn1cc(CCO)c(C)n1 238260292 572472049 /nfs/dbraw/zinc/47/20/49/572472049.db2.gz LCANNVHCNAVEDQ-UHFFFAOYSA-N 0 0 168.240 1.136 10 0 ADAERN CCCn1ncnc1C[C@@H](C)C(C)=O 83979101 572472056 /nfs/dbraw/zinc/47/20/56/572472056.db2.gz QCIHLJYGGQCUPP-MRVPVSSYSA-N 0 0 195.266 1.456 10 0 ADAERN CCC[C@H](O)/C=C/[C@H](O)CC 238259308 572472076 /nfs/dbraw/zinc/47/20/76/572472076.db2.gz XOFDGNLDUIGNIV-BXELRRQVSA-N 0 0 158.241 1.475 10 0 ADAERN CCC[C@H](C)[C@@]([NH3+])(CC)C(=O)[O-] 238258792 572472104 /nfs/dbraw/zinc/47/21/04/572472104.db2.gz IVNYZRPHEJPQQX-CBAPKCEASA-N 0 0 173.256 1.615 10 0 ADAERN CCO[C@@H](CO)[C@@H](O)c1ccccc1 238259023 572475076 /nfs/dbraw/zinc/47/50/76/572475076.db2.gz PKLBDKRWFPCOPH-QWRGUYRKSA-N 0 0 196.246 1.117 10 0 ADAERN C[C@@H]1C[C@H](c2cc(C=O)no2)CCO1 74245258 572472126 /nfs/dbraw/zinc/47/21/26/572472126.db2.gz ATHYPVYANZDKQL-HTQZYQBOSA-N 0 0 195.218 1.770 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH2+]C/C=C/C(=O)[O-] 308040287 572475083 /nfs/dbraw/zinc/47/50/83/572475083.db2.gz MYWXRDWDBLMRHF-TZIBCRCASA-N 0 0 169.224 1.015 10 0 ADAERN C[C@@H](O)CC(C)(C)Cc1ncnn1C 83976540 572472194 /nfs/dbraw/zinc/47/21/94/572472194.db2.gz PYASFUAQFCPWLL-MRVPVSSYSA-N 0 0 197.282 1.155 10 0 ADAERN CN[C@@H]1C(=O)c2occ(C)c2O[C@@H]1C 74245016 572472212 /nfs/dbraw/zinc/47/22/12/572472212.db2.gz DVIJGCHPVAZFQP-RQJHMYQMSA-N 0 0 195.218 1.140 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]Cc2c(F)cccc21 74245343 572472224 /nfs/dbraw/zinc/47/22/24/572472224.db2.gz MRADEMKRNSYCJM-QMMMGPOBSA-N 0 0 195.193 1.097 10 0 ADAERN CC[C@@H](CCC(N)=O)C(C)C 238260749 572475088 /nfs/dbraw/zinc/47/50/88/572475088.db2.gz FPTBOISBLKEZKC-QMMMGPOBSA-N 0 0 157.257 1.934 10 0 ADAERN CCC[C@H](C)[C@@]1(C)OC[C@@H](CO)O1 238258837 572472270 /nfs/dbraw/zinc/47/22/70/572472270.db2.gz NHRYCKNLCGBRIY-AEJSXWLSSA-N 0 0 188.267 1.547 10 0 ADAERN CC[C@@H](C)C(=O)C(=O)NC(C)(C)C 238258738 572472287 /nfs/dbraw/zinc/47/22/87/572472287.db2.gz WSVGOMDDUREGRR-SSDOTTSWSA-N 0 0 185.267 1.516 10 0 ADAERN CC[NH2+]C[P@](=O)([O-])c1ccccc1 238258736 572475099 /nfs/dbraw/zinc/47/50/99/572475099.db2.gz PLIDZHQFAHQWKI-UHFFFAOYSA-N 0 0 199.190 1.149 10 0 ADAERN CCONCc1cccnc1OC 87414998 572472411 /nfs/dbraw/zinc/47/24/11/572472411.db2.gz BYXXQLMLUVQPCL-UHFFFAOYSA-N 0 0 182.223 1.131 10 0 ADAERN CC[NH2+][C@@H](c1ccccc1)[P@@H](=O)[O-] 308037976 572472419 /nfs/dbraw/zinc/47/24/19/572472419.db2.gz WYXJYNDHELLFKG-SECBINFHSA-N 0 0 199.190 1.762 10 0 ADAERN CC(=O)[C@H](C)Cc1ncnn1C(C)C 83979093 572472420 /nfs/dbraw/zinc/47/24/20/572472420.db2.gz BHYYSODSDBKLNL-MRVPVSSYSA-N 0 0 195.266 1.627 10 0 ADAERN CCC(=O)O[C@H]1CCC[C@@H]1OC 308039547 572472444 /nfs/dbraw/zinc/47/24/44/572472444.db2.gz MPUFKKKKQDEZMH-YUMQZZPRSA-N 0 0 172.224 1.507 10 0 ADAERN Cc1nnc(C(=O)NCCC(C)C)o1 62024166 572472483 /nfs/dbraw/zinc/47/24/83/572472483.db2.gz TWHQKHBURNJINV-UHFFFAOYSA-N 0 0 197.238 1.154 10 0 ADAERN CC(=O)[C@@H](C)Cc1ncnn1C(C)C 83979095 572472488 /nfs/dbraw/zinc/47/24/88/572472488.db2.gz BHYYSODSDBKLNL-QMMMGPOBSA-N 0 0 195.266 1.627 10 0 ADAERN Cc1nc(CNC[C@@H]2CC2(C)C)no1 235930775 572472505 /nfs/dbraw/zinc/47/25/05/572472505.db2.gz KXOSCCSVPKAEIY-QMMMGPOBSA-N 0 0 195.266 1.514 10 0 ADAERN C[C@]1(N=[S@](C)(N)=O)CC=CCC1 404737905 572472506 /nfs/dbraw/zinc/47/25/06/572472506.db2.gz ZDCAJXFBBKRRAY-UFBFGSQYSA-N 0 0 188.296 1.457 10 0 ADAERN CCC[C@H](C)[C@]([NH3+])(CC)C(=O)[O-] 238260088 572472512 /nfs/dbraw/zinc/47/25/12/572472512.db2.gz IVNYZRPHEJPQQX-IONNQARKSA-N 0 0 173.256 1.615 10 0 ADAERN CCC(=O)CCc1ncnn1C(C)C 83979078 572475116 /nfs/dbraw/zinc/47/51/16/572475116.db2.gz WYDSZIRMUAIBEH-UHFFFAOYSA-N 0 0 195.266 1.771 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1[NH2+]CCc2occc21 74245208 572472601 /nfs/dbraw/zinc/47/26/01/572472601.db2.gz MBBFNZSVOBHWGO-RCOVLWMOSA-N 0 0 195.218 1.187 10 0 ADAERN CCOC(=O)[C@H](O)[C@@](C)(F)CC 238258951 572472575 /nfs/dbraw/zinc/47/25/75/572472575.db2.gz CLCSTGFHSUZUHZ-XPUUQOCRSA-N 0 0 178.203 1.049 10 0 ADAERN Cc1occ2c1C[C@@H](C)[NH2+][C@@H]2C(=O)[O-] 74245052 572472584 /nfs/dbraw/zinc/47/25/84/572472584.db2.gz RJSOINYNGZOXQX-ANLVUFKYSA-N 0 0 195.218 1.248 10 0 ADAERN CCO[C@@H](O)CCc1ccccc1 238260523 572472589 /nfs/dbraw/zinc/47/25/89/572472589.db2.gz ONUVWOZBKCVZBB-LLVKDONJSA-N 0 0 180.247 1.974 10 0 ADAERN C[C@H](OC(=O)[C@@H](C)O)C1CCC1 308038415 572472590 /nfs/dbraw/zinc/47/25/90/572472590.db2.gz LWCDCMBOOZRKEA-RQJHMYQMSA-N 0 0 172.224 1.099 10 0 ADAERN CCC[C@H](O)/C=C/C(OC)OC 238259276 572472611 /nfs/dbraw/zinc/47/26/11/572472611.db2.gz AIOIOBAKASPUFF-CZEYKFRCSA-N 0 0 174.240 1.323 10 0 ADAERN CCn1ncnc1CCC(=O)C(C)C 83979090 572472629 /nfs/dbraw/zinc/47/26/29/572472629.db2.gz QTIHESMRUMHXNH-UHFFFAOYSA-N 0 0 195.266 1.456 10 0 ADAERN CC(C)c1nc2c(n1C)C[C@@H](O)CC2 74246130 572472648 /nfs/dbraw/zinc/47/26/48/572472648.db2.gz YEGPYNLAFIDFGG-QMMMGPOBSA-N 0 0 194.278 1.393 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CC[C@H](C)C[C@@H]1C 222222878 572475119 /nfs/dbraw/zinc/47/51/19/572475119.db2.gz HNLFWJWBNVIPJV-NRPADANISA-N 0 0 185.267 1.485 10 0 ADAERN CCC[C@@H](C)[C@]([NH3+])(CC)C(=O)[O-] 238260333 572472683 /nfs/dbraw/zinc/47/26/83/572472683.db2.gz IVNYZRPHEJPQQX-VXNVDRBHSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@H]1C(=O)c2c(O)cccc21 197470111 572472684 /nfs/dbraw/zinc/47/26/84/572472684.db2.gz QGQOQGXGMCMUTK-RXMQYKEDSA-N 0 0 148.161 1.692 10 0 ADAERN CCO[C@@H](NC(=O)OC)C(C)(C)C 238260172 572472701 /nfs/dbraw/zinc/47/27/01/572472701.db2.gz BITZBOLLUOIGRL-SSDOTTSWSA-N 0 0 189.255 1.751 10 0 ADAERN CC(C)[C@H](Cc1ncnn1C)[C@@H](C)O 83974955 572472710 /nfs/dbraw/zinc/47/27/10/572472710.db2.gz WRJJGYDSAUZALJ-BDAKNGLRSA-N 0 0 197.282 1.011 10 0 ADAERN CC[C@@H](Cc1ncnn1CC)C(C)=O 83979121 572472714 /nfs/dbraw/zinc/47/27/14/572472714.db2.gz QHYIONZAKCDQPO-VIFPVBQESA-N 0 0 195.266 1.456 10 0 ADAERN CCOC(=O)c1cc(OC)c(C=O)[nH]1 238260031 572472933 /nfs/dbraw/zinc/47/29/33/572472933.db2.gz ZHCCFKQMDOHGTE-UHFFFAOYSA-N 0 0 197.190 1.013 10 0 ADAERN COC(=O)[C@H]([C@@H](C)O)C(C)(C)C 308038998 572472736 /nfs/dbraw/zinc/47/27/36/572472736.db2.gz MHADZWDRGXLIQS-RQJHMYQMSA-N 0 0 174.240 1.203 10 0 ADAERN CCCn1ncnc1C[C@H](C)C(C)=O 83979103 572472746 /nfs/dbraw/zinc/47/27/46/572472746.db2.gz QCIHLJYGGQCUPP-QMMMGPOBSA-N 0 0 195.266 1.456 10 0 ADAERN CCn1ncnc1CCC(=O)C1CC1 83979169 572472758 /nfs/dbraw/zinc/47/27/58/572472758.db2.gz NYIIVJSNJFCISQ-UHFFFAOYSA-N 0 0 193.250 1.210 10 0 ADAERN CCCNC(=O)c1nnc(C(C)C)o1 62024169 572472767 /nfs/dbraw/zinc/47/27/67/572472767.db2.gz ULZIPEDNIXFIIQ-UHFFFAOYSA-N 0 0 197.238 1.333 10 0 ADAERN CN[C@@H]1C(=O)c2occ(C)c2O[C@H]1C 74245018 572472786 /nfs/dbraw/zinc/47/27/86/572472786.db2.gz DVIJGCHPVAZFQP-BQBZGAKWSA-N 0 0 195.218 1.140 10 0 ADAERN CCC(=O)[C@@H](C)Cc1ncnn1CC 83979182 572472804 /nfs/dbraw/zinc/47/28/04/572472804.db2.gz HUXRTURLISUGSG-QMMMGPOBSA-N 0 0 195.266 1.456 10 0 ADAERN CCCCCNC(=O)c1nnc(C)o1 62024167 572472806 /nfs/dbraw/zinc/47/28/06/572472806.db2.gz ABOIOAMEZPBRTG-UHFFFAOYSA-N 0 0 197.238 1.298 10 0 ADAERN CCOc1c[nH]c(C(=O)OC)c1 238259110 572472819 /nfs/dbraw/zinc/47/28/19/572472819.db2.gz WXMXJTRMNZAVBS-UHFFFAOYSA-N 0 0 169.180 1.200 10 0 ADAERN CCC(=O)[C@H](C)Cc1ncnn1CC 83979183 572472821 /nfs/dbraw/zinc/47/28/21/572472821.db2.gz HUXRTURLISUGSG-MRVPVSSYSA-N 0 0 195.266 1.456 10 0 ADAERN CCn1ncnc1C[C@](C)(O)C1CC1 83980754 572472836 /nfs/dbraw/zinc/47/28/36/572472836.db2.gz ZJDKVVMHEFDDLL-JTQLQIEISA-N 0 0 195.266 1.002 10 0 ADAERN CCC[C@@H](C)[C@@]([NH3+])(CC)C(=O)[O-] 238258878 572472839 /nfs/dbraw/zinc/47/28/39/572472839.db2.gz IVNYZRPHEJPQQX-APPZFPTMSA-N 0 0 173.256 1.615 10 0 ADAERN CC[NH2+][C@H](c1ccccc1)[P@@H](=O)[O-] 308037978 572472840 /nfs/dbraw/zinc/47/28/40/572472840.db2.gz WYXJYNDHELLFKG-VIFPVBQESA-N 0 0 199.190 1.762 10 0 ADAERN CCOC(=O)Cc1ccc(C)[nH]1 238259173 572472845 /nfs/dbraw/zinc/47/28/45/572472845.db2.gz WAIIQLGOKSFDKP-UHFFFAOYSA-N 0 0 167.208 1.429 10 0 ADAERN C[C@@H](O)C(=O)O[C@H](C)C1CCC1 308038414 572473022 /nfs/dbraw/zinc/47/30/22/572473022.db2.gz LWCDCMBOOZRKEA-RNFRBKRXSA-N 0 0 172.224 1.099 10 0 ADAERN O=c1ccc2ccc3c(c2[nH]1)OCO3 44699988 572475128 /nfs/dbraw/zinc/47/51/28/572475128.db2.gz CQARNQGPINVKMX-UHFFFAOYSA-N 0 0 189.170 1.257 10 0 ADAERN Cn1ncnc1CCCC(=O)C1CC1 83976268 572473058 /nfs/dbraw/zinc/47/30/58/572473058.db2.gz KYZMUHAQNCZRGA-UHFFFAOYSA-N 0 0 193.250 1.117 10 0 ADAERN CCn1ncnc1C[C@](C)(O)C(C)C 83980732 572473064 /nfs/dbraw/zinc/47/30/64/572473064.db2.gz JYFDFTUOMRWNJW-JTQLQIEISA-N 0 0 197.282 1.248 10 0 ADAERN Cc1nsc(-c2ocnc2C=O)n1 74245299 572473067 /nfs/dbraw/zinc/47/30/67/572473067.db2.gz XXQCFRFHBVUPOU-UHFFFAOYSA-N 0 0 195.203 1.314 10 0 ADAERN CCO[C@@H](NC(=O)OC)[C@@H](C)CC 238260200 572473075 /nfs/dbraw/zinc/47/30/75/572473075.db2.gz URFLSBAEQNFTGO-JGVFFNPUSA-N 0 0 189.255 1.751 10 0 ADAERN CCO[C@@H](NC#N)c1ccco1 238260109 572473085 /nfs/dbraw/zinc/47/30/85/572473085.db2.gz MSDGODSCPOPNOS-MRVPVSSYSA-N 0 0 166.180 1.385 10 0 ADAERN CCC[C@H](C)[C@]1(C)OC[C@@H](CO)O1 238260131 572473114 /nfs/dbraw/zinc/47/31/14/572473114.db2.gz NHRYCKNLCGBRIY-IVZWLZJFSA-N 0 0 188.267 1.547 10 0 ADAERN CCO[C@@H](NC(=O)OC)[C@H](C)CC 238260214 572473123 /nfs/dbraw/zinc/47/31/23/572473123.db2.gz URFLSBAEQNFTGO-HTQZYQBOSA-N 0 0 189.255 1.751 10 0 ADAERN CCn1ncnc1C[C@](C)(O)CC 83980708 572475144 /nfs/dbraw/zinc/47/51/44/572475144.db2.gz LATVBEFPGRWFBJ-SECBINFHSA-N 0 0 183.255 1.002 10 0 ADAERN CCOC(=O)c1cc(N=O)ccc1N 238259036 572473169 /nfs/dbraw/zinc/47/31/69/572473169.db2.gz FLGFISFBOUCYMX-UHFFFAOYSA-N 0 0 194.190 1.843 10 0 ADAERN C[C@@H]1C[C@@H](c2oncc2C=O)CCO1 74245269 572473269 /nfs/dbraw/zinc/47/32/69/572473269.db2.gz HVOQFHLWBMULBO-SFYZADRCSA-N 0 0 195.218 1.770 10 0 ADAERN CC(C)[C@H](O)CCCc1ncnn1C 83976514 572473282 /nfs/dbraw/zinc/47/32/82/572473282.db2.gz CSXBYLXWKDJGOH-SECBINFHSA-N 0 0 197.282 1.155 10 0 ADAERN CC(C)Cn1ncnc1CNC1CC1 83977198 572473347 /nfs/dbraw/zinc/47/33/47/572473347.db2.gz AMNYQPANDUCABT-UHFFFAOYSA-N 0 0 194.282 1.186 10 0 ADAERN CCCC[C@@H]1CC[C@H](O)[C@H]1CO 308038443 572473351 /nfs/dbraw/zinc/47/33/51/572473351.db2.gz LYLPNQIGBFAXGP-UTLUCORTSA-N 0 0 172.268 1.556 10 0 ADAERN CCN(CC)[C@H](C)c1nnc(N)o1 238259044 572473829 /nfs/dbraw/zinc/47/38/29/572473829.db2.gz PXLHXWPWKWSXDS-ZCFIWIBFSA-N 0 0 184.243 1.055 10 0 ADAERN CCCCc1n[nH]cc1C(=O)OC 238260524 572473422 /nfs/dbraw/zinc/47/34/22/572473422.db2.gz JZMPMPQMOSZWNI-UHFFFAOYSA-N 0 0 182.223 1.539 10 0 ADAERN C[C@@H]1C[C@H](c2oncc2C=O)CCO1 74245265 572473431 /nfs/dbraw/zinc/47/34/31/572473431.db2.gz HVOQFHLWBMULBO-HTQZYQBOSA-N 0 0 195.218 1.770 10 0 ADAERN CCOC(=O)[C@H]([C@H](C)O)C(C)(C)C 238260022 572473458 /nfs/dbraw/zinc/47/34/58/572473458.db2.gz ZTSYXZPWGKQEHQ-YUMQZZPRSA-N 0 0 188.267 1.593 10 0 ADAERN C[C@H]1C[C@H](c2cc(C=O)no2)CCO1 74245260 572473460 /nfs/dbraw/zinc/47/34/60/572473460.db2.gz ATHYPVYANZDKQL-JGVFFNPUSA-N 0 0 195.218 1.770 10 0 ADAERN CCOC(=O)[C@H](O)[C@H]1CCCC=C1C 238259278 572473465 /nfs/dbraw/zinc/47/34/65/572473465.db2.gz QUEVEGCSXONRHD-VHSXEESVSA-N 0 0 198.262 1.657 10 0 ADAERN C[C@H]1C[C@@H](c2oncc2C=O)CCO1 74245271 572473474 /nfs/dbraw/zinc/47/34/74/572473474.db2.gz HVOQFHLWBMULBO-YUMQZZPRSA-N 0 0 195.218 1.770 10 0 ADAERN CCC[C@@H](O)CCCc1ncnn1C 83976503 572473479 /nfs/dbraw/zinc/47/34/79/572473479.db2.gz XGPAUNUDZVCUDN-SECBINFHSA-N 0 0 197.282 1.299 10 0 ADAERN Cc1occ2c1C[C@H](C)[NH2+][C@@H]2C(=O)[O-] 74245055 572473482 /nfs/dbraw/zinc/47/34/82/572473482.db2.gz RJSOINYNGZOXQX-CDUCUWFYSA-N 0 0 195.218 1.248 10 0 ADAERN CCOC(=O)[C@H]1C=C1CCCCO 238260618 572473488 /nfs/dbraw/zinc/47/34/88/572473488.db2.gz RMLQWACRMKIURW-VIFPVBQESA-N 0 0 184.235 1.268 10 0 ADAERN CC(C)c1nnc(C(=O)NC2CC2)o1 62024172 572473493 /nfs/dbraw/zinc/47/34/93/572473493.db2.gz NWBMVKZOMNGCHA-UHFFFAOYSA-N 0 0 195.222 1.085 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]1[NH2+]CCc2occc21 74245206 572473502 /nfs/dbraw/zinc/47/35/02/572473502.db2.gz MBBFNZSVOBHWGO-HZGVNTEJSA-N 0 0 195.218 1.187 10 0 ADAERN Cn1ncnc1CC[C@H](O)C(C)(C)C 83974870 572473516 /nfs/dbraw/zinc/47/35/16/572473516.db2.gz KVNKPALFLPXLJJ-QMMMGPOBSA-N 0 0 197.282 1.155 10 0 ADAERN C[N@@H+]1CCC[C@@H](C(=O)[O-])[C@H]1C1CC1 250558059 572475170 /nfs/dbraw/zinc/47/51/70/572475170.db2.gz BPVYTFZQASQOJC-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN CCO[C@@H](CO)[C@H](O)c1ccccc1 238259043 572473554 /nfs/dbraw/zinc/47/35/54/572473554.db2.gz PKLBDKRWFPCOPH-WDEREUQCSA-N 0 0 196.246 1.117 10 0 ADAERN Cc1nnsc1-c1cc(C=O)no1 74245324 572473583 /nfs/dbraw/zinc/47/35/83/572473583.db2.gz IEGMKMFXFXKENB-UHFFFAOYSA-N 0 0 195.203 1.314 10 0 ADAERN CCC[C@@H](O)[C@H](CC)COCCO 238259299 572473599 /nfs/dbraw/zinc/47/35/99/572473599.db2.gz DXSMTIOPNSMNTI-NXEZZACHSA-N 0 0 190.283 1.183 10 0 ADAERN Cc1c(CC2([C@@H](C)O)CC2)cnn1C 689647638 572473602 /nfs/dbraw/zinc/47/36/02/572473602.db2.gz DEYMBNIWUVWYPG-SECBINFHSA-N 0 0 194.278 1.432 10 0 ADAERN Cc1nc(CNCCC2CC2)no1 235929067 572473629 /nfs/dbraw/zinc/47/36/29/572473629.db2.gz MULKOHGOAJUDBM-UHFFFAOYSA-N 0 0 181.239 1.268 10 0 ADAERN CCC[C@H](OCOC)[C@H](O)CCC 238259463 572473652 /nfs/dbraw/zinc/47/36/52/572473652.db2.gz ZXAHFDUUCQKZFF-ZJUUUORDSA-N 0 0 190.283 1.937 10 0 ADAERN CCC[C@H](NC(C)=O)[C@H](O)CCC 238259450 572473657 /nfs/dbraw/zinc/47/36/57/572473657.db2.gz GSSLGEFZVAFRLV-VHSXEESVSA-N 0 0 187.283 1.452 10 0 ADAERN CCC[C@@H](O)[C@H](O)c1ccccc1O 238259974 572473668 /nfs/dbraw/zinc/47/36/68/572473668.db2.gz FIBUOZGKIYUHJV-GHMZBOCLSA-N 0 0 196.246 1.587 10 0 ADAERN COCCCc1nc2cc[nH]cc-2n1 87436274 572473685 /nfs/dbraw/zinc/47/36/85/572473685.db2.gz KFYKDIJYDGXBSY-UHFFFAOYSA-N 0 0 191.234 1.537 10 0 ADAERN CCC[C@H](O)C(=O)[C@H](F)CCC 238260582 572473702 /nfs/dbraw/zinc/47/37/02/572473702.db2.gz GSYHZZKDKRCWKT-SFYZADRCSA-N 0 0 176.231 1.855 10 0 ADAERN CCn1ncnc1C[C@@](C)(O)C1CC1 83980756 572473748 /nfs/dbraw/zinc/47/37/48/572473748.db2.gz ZJDKVVMHEFDDLL-SNVBAGLBSA-N 0 0 195.266 1.002 10 0 ADAERN CCC(=O)CCCc1ncnn1C 83976265 572473788 /nfs/dbraw/zinc/47/37/88/572473788.db2.gz MDCHLECOYSQHAB-UHFFFAOYSA-N 0 0 181.239 1.117 10 0 ADAERN CCOC(=O)[C@H](O)[C@](C)(F)CC 238259325 572474180 /nfs/dbraw/zinc/47/41/80/572474180.db2.gz CLCSTGFHSUZUHZ-POYBYMJQSA-N 0 0 178.203 1.049 10 0 ADAERN COCCCc1nc2cccnc2[nH]1 87436268 572474181 /nfs/dbraw/zinc/47/41/81/572474181.db2.gz SMVVTOKSVSGQQX-UHFFFAOYSA-N 0 0 191.234 1.537 10 0 ADAERN CCCCc1nc[nH]c1COC 238260483 572474183 /nfs/dbraw/zinc/47/41/83/572474183.db2.gz KEZPFIYQOZOVRR-UHFFFAOYSA-N 0 0 168.240 1.899 10 0 ADAERN Cc1nc(CNCCCC2CC2)no1 235929128 572473872 /nfs/dbraw/zinc/47/38/72/572473872.db2.gz PBBHJNKFRUHNFE-UHFFFAOYSA-N 0 0 195.266 1.658 10 0 ADAERN C/C=C\[C@H](C)[C@@H](O)CC 207511366 572473874 /nfs/dbraw/zinc/47/38/74/572473874.db2.gz DINWILSXOCSKME-RGGFDPLPSA-N 0 0 128.215 1.970 10 0 ADAERN Nc1nnsc1-c1ccc(F)cc1 74245002 572473912 /nfs/dbraw/zinc/47/39/12/572473912.db2.gz IYDBUZSRQUIGJB-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN C[C@H](O)CC(C)(C)Cc1ncnn1C 83976537 572473915 /nfs/dbraw/zinc/47/39/15/572473915.db2.gz PYASFUAQFCPWLL-QMMMGPOBSA-N 0 0 197.282 1.155 10 0 ADAERN CC[C@@H](CCC(C)=O)OC(C)=O 238260643 572473922 /nfs/dbraw/zinc/47/39/22/572473922.db2.gz GJGGLSRYGAIJDT-VIFPVBQESA-N 0 0 172.224 1.697 10 0 ADAERN CCCn1ncnc1C[C@@](C)(O)CC 83980713 572473942 /nfs/dbraw/zinc/47/39/42/572473942.db2.gz NYLBLJSRAKHLKN-JTQLQIEISA-N 0 0 197.282 1.392 10 0 ADAERN CC[C@@H](C)C(=O)COC(C)=O 238259247 572473983 /nfs/dbraw/zinc/47/39/83/572473983.db2.gz QTAURUPKRZDKBC-ZCFIWIBFSA-N 0 0 158.197 1.165 10 0 ADAERN CCC[C@H](C)[C@H]1CC[C@@H](CO)O1 308040309 572473995 /nfs/dbraw/zinc/47/39/95/572473995.db2.gz NAAQSPAQOZYJHC-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN C[N@H+]1C[C@@H](C(=O)[O-])[C@@H]2CCCC[C@H]2C1 250558161 572474003 /nfs/dbraw/zinc/47/40/03/572474003.db2.gz BRORHUDPIFVUKT-IVZWLZJFSA-N 0 0 197.278 1.439 10 0 ADAERN CCCC[S@](=O)C[C@H](O)C(C)C 238258896 572474013 /nfs/dbraw/zinc/47/40/13/572474013.db2.gz IAJTWTHXDZSKNI-CABZTGNLSA-N 0 0 192.324 1.552 10 0 ADAERN CCCC[S@](=O)[C@@H]1CCC[C@@H]1O 238259063 572474022 /nfs/dbraw/zinc/47/40/22/572474022.db2.gz XXFUCDDRNBBSNU-SBMIAAHKSA-N 0 0 190.308 1.449 10 0 ADAERN Cc1nnc(C(=O)N2CCCCC2)o1 62024157 572474026 /nfs/dbraw/zinc/47/40/26/572474026.db2.gz LZSNRQSFKLZDPP-UHFFFAOYSA-N 0 0 195.222 1.004 10 0 ADAERN C[C@H]1C[C@@H](c2cc(C=O)no2)CCO1 74245263 572474027 /nfs/dbraw/zinc/47/40/27/572474027.db2.gz ATHYPVYANZDKQL-YUMQZZPRSA-N 0 0 195.218 1.770 10 0 ADAERN C[C@@H]1CC[N@H+](C2CCCC2)[C@H]1C(=O)[O-] 299955293 572474036 /nfs/dbraw/zinc/47/40/36/572474036.db2.gz HHMVZNXKPDITNJ-PSASIEDQSA-N 0 0 197.278 1.724 10 0 ADAERN CCn1ncnc1C[C@@H](C)C[C@@H](C)O 83997625 572476306 /nfs/dbraw/zinc/47/63/06/572476306.db2.gz SKGMOELOVMUSEL-DTWKUNHWSA-N 0 0 197.282 1.248 10 0 ADAERN CC(C)NC(=O)c1nnc(C(C)C)o1 62024171 572474080 /nfs/dbraw/zinc/47/40/80/572474080.db2.gz LDFJLDYTFOQLIP-UHFFFAOYSA-N 0 0 197.238 1.331 10 0 ADAERN Cc1nnsc1-c1oncc1C=O 74245325 572474095 /nfs/dbraw/zinc/47/40/95/572474095.db2.gz ZKRIPVIBPARTCR-UHFFFAOYSA-N 0 0 195.203 1.314 10 0 ADAERN CCOC(=O)CCC(C)(C)CCO 238259343 572474115 /nfs/dbraw/zinc/47/41/15/572474115.db2.gz AVNODKHRYPIJPJ-UHFFFAOYSA-N 0 0 188.267 1.738 10 0 ADAERN CCC[C@H](O)CCCc1ncnn1C 83976501 572474151 /nfs/dbraw/zinc/47/41/51/572474151.db2.gz XGPAUNUDZVCUDN-VIFPVBQESA-N 0 0 197.282 1.299 10 0 ADAERN COCC(=O)c1cccc(O)c1 34156696 572474233 /nfs/dbraw/zinc/47/42/33/572474233.db2.gz KXEBRDCHMQFDSP-UHFFFAOYSA-N 0 0 166.176 1.221 10 0 ADAERN CC(C)[C@@H](O)CCCc1ncnn1C 83976515 572474255 /nfs/dbraw/zinc/47/42/55/572474255.db2.gz CSXBYLXWKDJGOH-VIFPVBQESA-N 0 0 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CCO[C@@H](Cc1ccccc1)C(N)=O 238259409 572474491 /nfs/dbraw/zinc/47/44/91/572474491.db2.gz DSEMZBZLMVWJLH-JTQLQIEISA-N 0 0 193.246 1.120 10 0 ADAERN COc1ccc(Cn2cccc2)cn1 62073832 572474537 /nfs/dbraw/zinc/47/45/37/572474537.db2.gz UHGBDVLYBRWUMD-UHFFFAOYSA-N 0 0 188.230 1.940 10 0 ADAERN COc1ncccc1CCC(C)=O 87415173 572474547 /nfs/dbraw/zinc/47/45/47/572474547.db2.gz FPBWLEBKXAZMPN-UHFFFAOYSA-N 0 0 179.219 1.612 10 0 ADAERN Cc1occ2c1C[C@H](C)[NH2+][C@H]2C(=O)[O-] 74245054 572474550 /nfs/dbraw/zinc/47/45/50/572474550.db2.gz RJSOINYNGZOXQX-SSDLBLMSSA-N 0 0 195.218 1.248 10 0 ADAERN Cc1c[nH]c([C@@H](C)N2CC(O)C2)c1C 74246071 572474587 /nfs/dbraw/zinc/47/45/87/572474587.db2.gz QKZJJYBXQCWBTC-SECBINFHSA-N 0 0 194.278 1.369 10 0 ADAERN CCOC(=O)[C@H](O)[C@@H]1CCCC=C1C 238258863 572474590 /nfs/dbraw/zinc/47/45/90/572474590.db2.gz QUEVEGCSXONRHD-NXEZZACHSA-N 0 0 198.262 1.657 10 0 ADAERN CC[C@H](Cc1ncnn1CC)C(C)=O 83979122 572474592 /nfs/dbraw/zinc/47/45/92/572474592.db2.gz 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572475401 /nfs/dbraw/zinc/47/54/01/572475401.db2.gz BRORHUDPIFVUKT-AEJSXWLSSA-N 0 0 197.278 1.439 10 0 ADAERN C/C=C/[C@H](O)/C=C/[C@H](O)CCC 238261398 572475462 /nfs/dbraw/zinc/47/54/62/572475462.db2.gz WZLURHMLDSIHFO-JGJPOUMESA-N 0 0 170.252 1.641 10 0 ADAERN CC(C)n1ncnc1CC[C@H](C)O 83994571 572475504 /nfs/dbraw/zinc/47/55/04/572475504.db2.gz BUMJNBLSSVUNHC-QMMMGPOBSA-N 0 0 183.255 1.172 10 0 ADAERN CCOC(=O)c1cc([C@@H](C)O)co1 238260892 572475593 /nfs/dbraw/zinc/47/55/93/572475593.db2.gz HGBLEGINPPGKQK-ZCFIWIBFSA-N 0 0 184.191 1.510 10 0 ADAERN CCn1ncnc1CCC[C@H](C)O 83997475 572475614 /nfs/dbraw/zinc/47/56/14/572475614.db2.gz FEIKEPRQPIMEHV-QMMMGPOBSA-N 0 0 183.255 1.002 10 0 ADAERN CCCNC(=O)c1nc(C(C)C)n[nH]1 87445655 572475618 /nfs/dbraw/zinc/47/56/18/572475618.db2.gz BEADBOUIEWBMDE-UHFFFAOYSA-N 0 0 196.254 1.068 10 0 ADAERN CCO[C@@H](O)c1ccc(OC)cc1 238260923 572475663 /nfs/dbraw/zinc/47/56/63/572475663.db2.gz DOSWIGRFDKVCIG-SNVBAGLBSA-N 0 0 182.219 1.723 10 0 ADAERN COC[C@@H](C)CCNCC(F)(F)F 87421329 572475717 /nfs/dbraw/zinc/47/57/17/572475717.db2.gz UMZAYLMVTURYBQ-ZETCQYMHSA-N 0 0 199.216 1.811 10 0 ADAERN CCn1ncnc1CC[C@H](O)C(C)C 83994651 572475718 /nfs/dbraw/zinc/47/57/18/572475718.db2.gz WKCRBKWYOZLNKY-VIFPVBQESA-N 0 0 197.282 1.248 10 0 ADAERN CC(C)[C@H](O)Cc1ncnn1C(C)C 83992053 572475723 /nfs/dbraw/zinc/47/57/23/572475723.db2.gz IPXGNAIKUJDOFQ-SECBINFHSA-N 0 0 197.282 1.418 10 0 ADAERN CCn1ncnc1CC(=O)C(C)C 83992716 572475738 /nfs/dbraw/zinc/47/57/38/572475738.db2.gz GGXKWUISMPSDBU-UHFFFAOYSA-N 0 0 181.239 1.066 10 0 ADAERN COc1ncccc1C[C@@H](C)[C@H](C)O 87415321 572475742 /nfs/dbraw/zinc/47/57/42/572475742.db2.gz STXIMMMNIPUHBW-BDAKNGLRSA-N 0 0 195.262 1.650 10 0 ADAERN CCC(=O)CCCc1ncnn1CC 83996817 572475758 /nfs/dbraw/zinc/47/57/58/572475758.db2.gz FZYAEVLODVBMSK-UHFFFAOYSA-N 0 0 195.266 1.600 10 0 ADAERN CC(C)n1ncnc1C[C@H](O)C1CC1 83992151 572475790 /nfs/dbraw/zinc/47/57/90/572475790.db2.gz HJWURQAIQDPMBL-VIFPVBQESA-N 0 0 195.266 1.172 10 0 ADAERN CC(=O)CCCc1ncnn1C(C)C 83996806 572475796 /nfs/dbraw/zinc/47/57/96/572475796.db2.gz LEFZTAAUKWXLFO-UHFFFAOYSA-N 0 0 195.266 1.771 10 0 ADAERN CC(C)n1ncnc1C[C@H](C)[C@@H](C)O 83994705 572475803 /nfs/dbraw/zinc/47/58/03/572475803.db2.gz MAENZARHGWXPMC-DTWKUNHWSA-N 0 0 197.282 1.418 10 0 ADAERN CCOCC(=O)C(CC)=C(C)O 238261141 572475831 /nfs/dbraw/zinc/47/58/31/572475831.db2.gz TUEIHDKGPBXGKO-QMMMGPOBSA-N 0 0 172.224 1.207 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH2+]C/C=C\C(=O)[O-] 308040289 572475841 /nfs/dbraw/zinc/47/58/41/572475841.db2.gz MYWXRDWDBLMRHF-ZCMHJKFASA-N 0 0 169.224 1.015 10 0 ADAERN CC[C@H](C)[C@@H](O)Cc1ncnn1CC 83992138 572475864 /nfs/dbraw/zinc/47/58/64/572475864.db2.gz PKWYUWFBQOVFHH-IUCAKERBSA-N 0 0 197.282 1.248 10 0 ADAERN CCOC(=O)c1cc([C@H](C)O)co1 238260971 572475896 /nfs/dbraw/zinc/47/58/96/572475896.db2.gz HGBLEGINPPGKQK-LURJTMIESA-N 0 0 184.191 1.510 10 0 ADAERN Cc1noc(C)c1-c1o[nH]c(=O)c1N 74245445 572475897 /nfs/dbraw/zinc/47/58/97/572475897.db2.gz DFJOOKSBPDCPOR-UHFFFAOYSA-N 0 0 195.178 1.234 10 0 ADAERN CC1CCN(C(=S)N(C)C)CC1 197447061 572478503 /nfs/dbraw/zinc/47/85/03/572478503.db2.gz NJGLVFJYRBWRNC-UHFFFAOYSA-N 0 0 186.324 1.565 10 0 ADAERN CC(C)n1ncnc1CC[C@@H](C)CO 83997617 572475911 /nfs/dbraw/zinc/47/59/11/572475911.db2.gz OXQYJPUFOFXVKG-SECBINFHSA-N 0 0 197.282 1.420 10 0 ADAERN CC[C@@H](C)O[C@](C)(OC)C(C)=O 238261184 572475938 /nfs/dbraw/zinc/47/59/38/572475938.db2.gz WWPNYICSDAYCHV-APPZFPTMSA-N 0 0 174.240 1.753 10 0 ADAERN C/C=C(C)/C=C\C(=O)OCCO 308040311 572475945 /nfs/dbraw/zinc/47/59/45/572475945.db2.gz NABLHNPXERCFQF-UEQFWHKLSA-N 0 0 170.208 1.044 10 0 ADAERN CSc1c(F)nc(N)nc1F 34099154 572475986 /nfs/dbraw/zinc/47/59/86/572475986.db2.gz GBBFPHUQAMDUNC-UHFFFAOYSA-N 0 0 177.179 1.059 10 0 ADAERN CC[C@@H](C)O[C@@](C)(OC)C(C)=O 238260846 572475998 /nfs/dbraw/zinc/47/59/98/572475998.db2.gz WWPNYICSDAYCHV-VXNVDRBHSA-N 0 0 174.240 1.753 10 0 ADAERN CCOC(=O)CCC1(C)COC1 238259532 572476009 /nfs/dbraw/zinc/47/60/09/572476009.db2.gz QZDSPGHWYTZJIN-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN CC[C@H](O)Cc1ncnn1C(C)C 83992254 572476011 /nfs/dbraw/zinc/47/60/11/572476011.db2.gz ASOUPTBNJZKJGU-QMMMGPOBSA-N 0 0 183.255 1.172 10 0 ADAERN CCOC(CC(=O)C1CC1)OCC 34224449 572476019 /nfs/dbraw/zinc/47/60/19/572476019.db2.gz WDWLTEQSSVQLAO-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)Cn1ncnc1CC[C@@H](C)O 83994577 572476033 /nfs/dbraw/zinc/47/60/33/572476033.db2.gz UVHQYFFRSVNABB-SECBINFHSA-N 0 0 197.282 1.248 10 0 ADAERN CCCn1ncnc1C[C@H](O)C(C)C 83992061 572476047 /nfs/dbraw/zinc/47/60/47/572476047.db2.gz GTVJTIKJUJQKKN-VIFPVBQESA-N 0 0 197.282 1.248 10 0 ADAERN CC(C)n1ncnc1C[C@@H](C)[C@@H](C)O 83994704 572476054 /nfs/dbraw/zinc/47/60/54/572476054.db2.gz MAENZARHGWXPMC-RKDXNWHRSA-N 0 0 197.282 1.418 10 0 ADAERN CCCNC(=O)c1ccc(C)nc1N 76904788 572476059 /nfs/dbraw/zinc/47/60/59/572476059.db2.gz IIBZLGRSQNTOJY-UHFFFAOYSA-N 0 0 193.250 1.112 10 0 ADAERN COc1ncccc1C[C@@H](C)[C@@H](C)O 87415319 572476068 /nfs/dbraw/zinc/47/60/68/572476068.db2.gz STXIMMMNIPUHBW-RKDXNWHRSA-N 0 0 195.262 1.650 10 0 ADAERN CCCn1ncnc1C[C@@H](O)CC 83992264 572476069 /nfs/dbraw/zinc/47/60/69/572476069.db2.gz NYALBJXLZKPOHW-QMMMGPOBSA-N 0 0 183.255 1.002 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1ncnn1CC 83994795 572476073 /nfs/dbraw/zinc/47/60/73/572476073.db2.gz JBIOSKCWFWKKQW-IUCAKERBSA-N 0 0 197.282 1.248 10 0 ADAERN CCCn1ncnc1CCC[C@@H](C)O 83997477 572476085 /nfs/dbraw/zinc/47/60/85/572476085.db2.gz UNHKKYUKIRDJOH-SECBINFHSA-N 0 0 197.282 1.392 10 0 ADAERN CCn1ncnc1CC(=O)[C@H]1C[C@H]1C 83993018 572476170 /nfs/dbraw/zinc/47/61/70/572476170.db2.gz KNLDISSNTJJPJU-SFYZADRCSA-N 0 0 193.250 1.066 10 0 ADAERN CC(C)CCCNC(N)=S 62098526 572476193 /nfs/dbraw/zinc/47/61/93/572476193.db2.gz ACOKUIVYWCCUMN-UHFFFAOYSA-N 0 0 160.286 1.256 10 0 ADAERN CCC(CC)NC(=O)c1nc(C)n[nH]1 87446730 572476194 /nfs/dbraw/zinc/47/61/94/572476194.db2.gz ARIHLOVRIAIWMS-UHFFFAOYSA-N 0 0 196.254 1.032 10 0 ADAERN CCn1ncnc1C[C@H](O)C1CCC1 83993207 572476196 /nfs/dbraw/zinc/47/61/96/572476196.db2.gz OSVMNQKFOCZIRW-VIFPVBQESA-N 0 0 195.266 1.002 10 0 ADAERN CCCC(=O)OCO[C@@H](O)CCC 238263010 572478526 /nfs/dbraw/zinc/47/85/26/572478526.db2.gz ZHBLOEMHZVIFPD-MRVPVSSYSA-N 0 0 190.239 1.422 10 0 ADAERN CCCn1ncnc1CC(=O)CC 83992729 572476213 /nfs/dbraw/zinc/47/62/13/572476213.db2.gz SGZWTZSFHCNTAB-UHFFFAOYSA-N 0 0 181.239 1.210 10 0 ADAERN CC[C@@H](O)[C@H](C)Cc1ncnn1CC 83994803 572476219 /nfs/dbraw/zinc/47/62/19/572476219.db2.gz JBIOSKCWFWKKQW-RKDXNWHRSA-N 0 0 197.282 1.248 10 0 ADAERN CCOC(=O)c1cc[nH]c1C(C)=O 238261048 572476228 /nfs/dbraw/zinc/47/62/28/572476228.db2.gz RANDJRHRRVWEQC-UHFFFAOYSA-N 0 0 181.191 1.394 10 0 ADAERN CCn1ncnc1C[C@@H](O)CC(C)C 83992222 572476339 /nfs/dbraw/zinc/47/63/39/572476339.db2.gz RINMJHPJOOCZDA-VIFPVBQESA-N 0 0 197.282 1.248 10 0 ADAERN CCn1ncnc1CCCC(C)=O 83996800 572476345 /nfs/dbraw/zinc/47/63/45/572476345.db2.gz NXSINFKWGIOWJN-UHFFFAOYSA-N 0 0 181.239 1.210 10 0 ADAERN CCO[C@@H](OC)[C@@H](O)c1ccccc1 238261067 572476354 /nfs/dbraw/zinc/47/63/54/572476354.db2.gz BIAQAHHCKGIREB-WDEREUQCSA-N 0 0 196.246 1.729 10 0 ADAERN CC(C)Cn1ncnc1CC[C@H](C)O 83994579 572476361 /nfs/dbraw/zinc/47/63/61/572476361.db2.gz UVHQYFFRSVNABB-VIFPVBQESA-N 0 0 197.282 1.248 10 0 ADAERN CCOCC(=O)C(CC)=C(C)O 238261266 572476382 /nfs/dbraw/zinc/47/63/82/572476382.db2.gz TUEIHDKGPBXGKO-MRVPVSSYSA-N 0 0 172.224 1.207 10 0 ADAERN CC[C@H](O)CCc1cccnc1OC 87415310 572476386 /nfs/dbraw/zinc/47/63/86/572476386.db2.gz GTQLSCQSCCXFCK-JTQLQIEISA-N 0 0 195.262 1.794 10 0 ADAERN CCCC[C@H](O)Cc1ncnn1CC 83992274 572476389 /nfs/dbraw/zinc/47/63/89/572476389.db2.gz UAYKTTLOGOFVJX-VIFPVBQESA-N 0 0 197.282 1.392 10 0 ADAERN CCn1ncnc1C[C@H](O)C(C)(C)C 83992330 572476310 /nfs/dbraw/zinc/47/63/10/572476310.db2.gz VFCFQUXLNWRUPI-QMMMGPOBSA-N 0 0 197.282 1.248 10 0 ADAERN CCC[C@H](O)C=C=CC(=O)OCC 238261238 572476325 /nfs/dbraw/zinc/47/63/25/572476325.db2.gz LMYNOELOZDPTMZ-YQFNKJDISA-N 0 0 184.235 1.422 10 0 ADAERN CCC[C@@H](O)CCc1ncnn1CC 83994611 572476412 /nfs/dbraw/zinc/47/64/12/572476412.db2.gz JCADAXCFYBHJPN-SECBINFHSA-N 0 0 197.282 1.392 10 0 ADAERN CO[C@@H](C)c1nc(O)c(C)[nH]1 234741161 572476418 /nfs/dbraw/zinc/47/64/18/572476418.db2.gz FOQNRHOZZRTDPQ-YFKPBYRVSA-N 0 0 156.185 1.131 10 0 ADAERN CCCC(=O)Cc1ncnn1CC 83992742 572476450 /nfs/dbraw/zinc/47/64/50/572476450.db2.gz BNWAPKLPUIJMFH-UHFFFAOYSA-N 0 0 181.239 1.210 10 0 ADAERN CCn1ncnc1C[C@@H](O)C(C)(C)C 83992332 572476458 /nfs/dbraw/zinc/47/64/58/572476458.db2.gz VFCFQUXLNWRUPI-MRVPVSSYSA-N 0 0 197.282 1.248 10 0 ADAERN CC(C)n1ncnc1C[C@@H](O)C1CC1 83992153 572476464 /nfs/dbraw/zinc/47/64/64/572476464.db2.gz HJWURQAIQDPMBL-SECBINFHSA-N 0 0 195.266 1.172 10 0 ADAERN CCO[C@@H](OC)[C@H](O)c1ccccc1 238261118 572476479 /nfs/dbraw/zinc/47/64/79/572476479.db2.gz BIAQAHHCKGIREB-GHMZBOCLSA-N 0 0 196.246 1.729 10 0 ADAERN CC(C)n1ncnc1C[C@H](C)[C@H](C)O 83994709 572476490 /nfs/dbraw/zinc/47/64/90/572476490.db2.gz MAENZARHGWXPMC-IUCAKERBSA-N 0 0 197.282 1.418 10 0 ADAERN COc1ncccc1CC[C@H](C)O 87415300 572476517 /nfs/dbraw/zinc/47/65/17/572476517.db2.gz MYNGTRZRYATTLB-QMMMGPOBSA-N 0 0 181.235 1.404 10 0 ADAERN CCC[C@H](O)C/C=C/C(=O)OC 238260843 572476520 /nfs/dbraw/zinc/47/65/20/572476520.db2.gz RGOQOTJMRBWKPG-IPWDFOCMSA-N 0 0 172.224 1.267 10 0 ADAERN CC[C@@H](O)CCc1cccnc1OC 87415311 572476525 /nfs/dbraw/zinc/47/65/25/572476525.db2.gz GTQLSCQSCCXFCK-SNVBAGLBSA-N 0 0 195.262 1.794 10 0 ADAERN CCn1ncnc1CC(=O)C(C)(C)C 83992762 572476546 /nfs/dbraw/zinc/47/65/46/572476546.db2.gz UROQSKJWZWPUGA-UHFFFAOYSA-N 0 0 195.266 1.456 10 0 ADAERN CCCn1ncnc1C[C@@H](C)[C@@H](C)O 83994712 572476556 /nfs/dbraw/zinc/47/65/56/572476556.db2.gz RHMRRCPTPFGIAI-RKDXNWHRSA-N 0 0 197.282 1.248 10 0 ADAERN CCCn1ncnc1CCCCO 83997469 572476567 /nfs/dbraw/zinc/47/65/67/572476567.db2.gz NZDDLPBHWOWEGW-UHFFFAOYSA-N 0 0 183.255 1.003 10 0 ADAERN CCn1ncnc1CC[C@H](O)C1CC1 83994779 572476572 /nfs/dbraw/zinc/47/65/72/572476572.db2.gz ZXVJGALHBXPJBX-VIFPVBQESA-N 0 0 195.266 1.002 10 0 ADAERN CC(C)n1ncnc1CCCCO 83997471 572476582 /nfs/dbraw/zinc/47/65/82/572476582.db2.gz OPJTXJDROIPDLP-UHFFFAOYSA-N 0 0 183.255 1.174 10 0 ADAERN CCCn1ncnc1CC[C@H](C)CO 83997616 572476593 /nfs/dbraw/zinc/47/65/93/572476593.db2.gz NUJQRFXTBWTRPZ-VIFPVBQESA-N 0 0 197.282 1.249 10 0 ADAERN Cc1cc([C@@H](C)NC(N)=S)c(C)o1 44730927 572476639 /nfs/dbraw/zinc/47/66/39/572476639.db2.gz DAFVICJJSSQNCI-ZCFIWIBFSA-N 0 0 198.291 1.791 10 0 ADAERN CCn1ncnc1CC(=O)C1CCC1 83992907 572476660 /nfs/dbraw/zinc/47/66/60/572476660.db2.gz IRUQLUFTUWJZTN-UHFFFAOYSA-N 0 0 193.250 1.210 10 0 ADAERN CC[C@@H](O)Cc1ncnn1CC(C)C 83992252 572476669 /nfs/dbraw/zinc/47/66/69/572476669.db2.gz QLFCTAVZZZGCFI-SECBINFHSA-N 0 0 197.282 1.248 10 0 ADAERN CC[C@@H](CCCC(C)=O)NC(C)=O 238261255 572476700 /nfs/dbraw/zinc/47/67/00/572476700.db2.gz MVGJSVIYKGOMQF-JTQLQIEISA-N 0 0 185.267 1.660 10 0 ADAERN Cc1nc(CNC[C@H]2CC2(C)C)no1 235932026 572476711 /nfs/dbraw/zinc/47/67/11/572476711.db2.gz KXOSCCSVPKAEIY-MRVPVSSYSA-N 0 0 195.266 1.514 10 0 ADAERN CCc1cc(-c2o[nH]c(=O)c2N)no1 74245438 572476714 /nfs/dbraw/zinc/47/67/14/572476714.db2.gz UPNNBJGUDLGENC-UHFFFAOYSA-N 0 0 195.178 1.180 10 0 ADAERN CCCn1ncnc1CC[C@H](C)O 83994575 572476741 /nfs/dbraw/zinc/47/67/41/572476741.db2.gz BBLSKIYRFLNAEO-QMMMGPOBSA-N 0 0 183.255 1.002 10 0 ADAERN CC(C)n1ncnc1CCC[C@H](C)O 83997486 572476746 /nfs/dbraw/zinc/47/67/46/572476746.db2.gz NZNOPSLNWAKZNU-VIFPVBQESA-N 0 0 197.282 1.563 10 0 ADAERN Nc1ccc2ccc(O)cc2c1O 34266327 572476748 /nfs/dbraw/zinc/47/67/48/572476748.db2.gz NIMWGWBXOMTFFN-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Cc1cc(Cn2cccc2)no1 44727600 572476764 /nfs/dbraw/zinc/47/67/64/572476764.db2.gz MRUFFSLSUWFNCO-UHFFFAOYSA-N 0 0 162.192 1.833 10 0 ADAERN CC(C)n1ncnc1CCC[C@@H](C)O 83997482 572476890 /nfs/dbraw/zinc/47/68/90/572476890.db2.gz NZNOPSLNWAKZNU-SECBINFHSA-N 0 0 197.282 1.563 10 0 ADAERN CCn1ncnc1C[C@@H](C)CC(C)=O 83996868 572476906 /nfs/dbraw/zinc/47/69/06/572476906.db2.gz KWCHKRDLHCEWIV-QMMMGPOBSA-N 0 0 195.266 1.456 10 0 ADAERN CCC[C@@H](O)Cc1ncnn1C(C)C 83992202 572476955 /nfs/dbraw/zinc/47/69/55/572476955.db2.gz ABSJYYHOGZPFPP-SECBINFHSA-N 0 0 197.282 1.563 10 0 ADAERN COC(=O)NCc1cc(C)[nH]c1C 62105237 572476973 /nfs/dbraw/zinc/47/69/73/572476973.db2.gz FGATYVZAVBGFQV-UHFFFAOYSA-N 0 0 182.223 1.488 10 0 ADAERN CCC[C@@H](O)Cc1ncnn1CC 83992207 572477005 /nfs/dbraw/zinc/47/70/05/572477005.db2.gz KZCJVALCHYCIOM-MRVPVSSYSA-N 0 0 183.255 1.002 10 0 ADAERN CC[C@H](O)CCc1ncnn1CC 83994636 572477028 /nfs/dbraw/zinc/47/70/28/572477028.db2.gz XOUIZLOVFGBMDI-QMMMGPOBSA-N 0 0 183.255 1.002 10 0 ADAERN CNC(=O)c1ccc(C(C)C)nc1N 76904789 572477042 /nfs/dbraw/zinc/47/70/42/572477042.db2.gz SXNMBNSQOYZSRN-UHFFFAOYSA-N 0 0 193.250 1.147 10 0 ADAERN C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)[O-])C1 250558159 572477060 /nfs/dbraw/zinc/47/70/60/572477060.db2.gz BRORHUDPIFVUKT-GUBZILKMSA-N 0 0 197.278 1.439 10 0 ADAERN CCCCCC(=O)Nc1n[nH]cc1N 87419080 572477077 /nfs/dbraw/zinc/47/70/77/572477077.db2.gz BWBVQZPDVDNVAK-UHFFFAOYSA-N 0 0 196.254 1.511 10 0 ADAERN CCCn1ncnc1CC[C@@H](C)O 83994573 572477082 /nfs/dbraw/zinc/47/70/82/572477082.db2.gz BBLSKIYRFLNAEO-MRVPVSSYSA-N 0 0 183.255 1.002 10 0 ADAERN CCCn1ncnc1CC[C@H](O)CC 83994644 572477091 /nfs/dbraw/zinc/47/70/91/572477091.db2.gz BMBWFTJTMJRFCY-SECBINFHSA-N 0 0 197.282 1.392 10 0 ADAERN CC[C@H](O)CCc1ncnn1C(C)C 83994640 572477099 /nfs/dbraw/zinc/47/70/99/572477099.db2.gz DIPFSQTYKZLSRZ-VIFPVBQESA-N 0 0 197.282 1.563 10 0 ADAERN CCC(=O)Cc1ncnn1C(C)C 83992730 572477114 /nfs/dbraw/zinc/47/71/14/572477114.db2.gz QVFVUJFWAADMHC-UHFFFAOYSA-N 0 0 181.239 1.381 10 0 ADAERN CCOc1cnc(C=O)c(OCC)c1 238261168 572477133 /nfs/dbraw/zinc/47/71/33/572477133.db2.gz NISGDEQVKOERBR-UHFFFAOYSA-N 0 0 195.218 1.692 10 0 ADAERN C[C@@H]1CC[C@H]1[NH2+]C/C=C/C(=O)[O-] 308040288 572477149 /nfs/dbraw/zinc/47/71/49/572477149.db2.gz MYWXRDWDBLMRHF-YEMZYZDBSA-N 0 0 169.224 1.015 10 0 ADAERN CCCn1ncnc1C[C@@H](C)[C@H](C)O 83994718 572477170 /nfs/dbraw/zinc/47/71/70/572477170.db2.gz RHMRRCPTPFGIAI-BDAKNGLRSA-N 0 0 197.282 1.248 10 0 ADAERN CCC(=O)Cc1ncnn1CC(C)C 83992728 572477205 /nfs/dbraw/zinc/47/72/05/572477205.db2.gz SLRYXDSJRZHDFT-UHFFFAOYSA-N 0 0 195.266 1.456 10 0 ADAERN COC[C@H](C)CCNCC(F)(F)F 87421331 572477184 /nfs/dbraw/zinc/47/71/84/572477184.db2.gz UMZAYLMVTURYBQ-SSDOTTSWSA-N 0 0 199.216 1.811 10 0 ADAERN C[C@H](C(=O)[O-])C12CCC[NH+]1CCC2 34131465 572477213 /nfs/dbraw/zinc/47/72/13/572477213.db2.gz OOPCTUCIMMRWNA-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN CCCC(=O)Cc1ncnn1C(C)C 83992747 572477214 /nfs/dbraw/zinc/47/72/14/572477214.db2.gz ARABYKRYWPOHBN-UHFFFAOYSA-N 0 0 195.266 1.771 10 0 ADAERN CCCCCNC(=O)c1nc(C)n[nH]1 87446804 572477220 /nfs/dbraw/zinc/47/72/20/572477220.db2.gz LDZMEYAIFGCEKH-UHFFFAOYSA-N 0 0 196.254 1.033 10 0 ADAERN CC[C@H](C)[C@H](O)Cc1ncnn1CC 83992134 572477227 /nfs/dbraw/zinc/47/72/27/572477227.db2.gz PKWYUWFBQOVFHH-DTWKUNHWSA-N 0 0 197.282 1.248 10 0 ADAERN CCn1ncnc1C[C@H](C)C[C@@H](C)O 83997628 572477251 /nfs/dbraw/zinc/47/72/51/572477251.db2.gz SKGMOELOVMUSEL-RKDXNWHRSA-N 0 0 197.282 1.248 10 0 ADAERN CCC[C@H](O)Cc1ncnn1CCC 83992211 572477303 /nfs/dbraw/zinc/47/73/03/572477303.db2.gz ULTXFSMBPSRLRT-VIFPVBQESA-N 0 0 197.282 1.392 10 0 ADAERN CC1(C)C[C@H]1C(=O)OCC1CC1 308040343 572477312 /nfs/dbraw/zinc/47/73/12/572477312.db2.gz NBWBEMMODVDUDZ-QMMMGPOBSA-N 0 0 168.236 1.986 10 0 ADAERN CC[C@@H](C)C(=O)Cc1ncnn1CC 83992850 572477317 /nfs/dbraw/zinc/47/73/17/572477317.db2.gz HHYYDTPTWHSDSB-MRVPVSSYSA-N 0 0 195.266 1.456 10 0 ADAERN CC(C)[C@@H](O)Cc1ncnn1C(C)C 83992055 572477343 /nfs/dbraw/zinc/47/73/43/572477343.db2.gz IPXGNAIKUJDOFQ-VIFPVBQESA-N 0 0 197.282 1.418 10 0 ADAERN CC[C@H](C)C(=O)Cc1ncnn1CC 83992852 572477359 /nfs/dbraw/zinc/47/73/59/572477359.db2.gz HHYYDTPTWHSDSB-QMMMGPOBSA-N 0 0 195.266 1.456 10 0 ADAERN CN1CCN(C(C)(C)C)C1=O 34241917 572477362 /nfs/dbraw/zinc/47/73/62/572477362.db2.gz SDVMONNTPJKEIK-UHFFFAOYSA-N 0 0 156.229 1.152 10 0 ADAERN CCC[C@H](C)[C@H]1CC[C@H](CO)O1 308040308 572477400 /nfs/dbraw/zinc/47/74/00/572477400.db2.gz NAAQSPAQOZYJHC-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2C1 250563827 572479772 /nfs/dbraw/zinc/47/97/72/572479772.db2.gz CYCUESRVRZOVRP-BBBLOLIVSA-N 0 0 197.278 1.439 10 0 ADAERN CCOCCCCNCC(F)(F)F 87421327 572477448 /nfs/dbraw/zinc/47/74/48/572477448.db2.gz AYGBGJNQCUOFMP-UHFFFAOYSA-N 0 0 199.216 1.955 10 0 ADAERN CCCn1ncnc1C[C@@H](O)C1CC1 83992160 572477441 /nfs/dbraw/zinc/47/74/41/572477441.db2.gz HCQZTLMQGWJATI-SECBINFHSA-N 0 0 195.266 1.002 10 0 ADAERN C[N@@H+]1CCC[C@H](C(=O)[O-])[C@H]1C1CC1 250558056 572477445 /nfs/dbraw/zinc/47/74/45/572477445.db2.gz BPVYTFZQASQOJC-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN CCn1ncnc1CC(=O)[C@H]1C[C@@H]1C 83993016 572477467 /nfs/dbraw/zinc/47/74/67/572477467.db2.gz KNLDISSNTJJPJU-YUMQZZPRSA-N 0 0 193.250 1.066 10 0 ADAERN CC[C@H](Cc1ncnn1CC)[C@@H](C)O 83994582 572477470 /nfs/dbraw/zinc/47/74/70/572477470.db2.gz FAYKMKZEJFRFCN-RKDXNWHRSA-N 0 0 197.282 1.248 10 0 ADAERN CC[C@@H](O)Cc1ncnn1C(C)C 83992256 572477476 /nfs/dbraw/zinc/47/74/76/572477476.db2.gz ASOUPTBNJZKJGU-MRVPVSSYSA-N 0 0 183.255 1.172 10 0 ADAERN CC(C)n1ncnc1C[C@@H](C)[C@H](C)O 83994707 572477483 /nfs/dbraw/zinc/47/74/83/572477483.db2.gz MAENZARHGWXPMC-BDAKNGLRSA-N 0 0 197.282 1.418 10 0 ADAERN CCCn1ncnc1CC(=O)C1CC1 83992758 572477493 /nfs/dbraw/zinc/47/74/93/572477493.db2.gz TWEDVTRGRYJOMO-UHFFFAOYSA-N 0 0 193.250 1.210 10 0 ADAERN CC[C@@H](C)[C@@H](O)Cc1ncnn1CC 83992136 572477495 /nfs/dbraw/zinc/47/74/95/572477495.db2.gz PKWYUWFBQOVFHH-BDAKNGLRSA-N 0 0 197.282 1.248 10 0 ADAERN CCn1ncnc1C[C@H](C)C[C@H](C)O 83997634 572477504 /nfs/dbraw/zinc/47/75/04/572477504.db2.gz SKGMOELOVMUSEL-BDAKNGLRSA-N 0 0 197.282 1.248 10 0 ADAERN CCn1ncnc1CC[C@@H](O)C1CC1 83994781 572477507 /nfs/dbraw/zinc/47/75/07/572477507.db2.gz ZXVJGALHBXPJBX-SECBINFHSA-N 0 0 195.266 1.002 10 0 ADAERN CCCn1ncnc1C[C@H](O)C1CC1 83992158 572477513 /nfs/dbraw/zinc/47/75/13/572477513.db2.gz HCQZTLMQGWJATI-VIFPVBQESA-N 0 0 195.266 1.002 10 0 ADAERN Cc1nc(-c2o[nH]c(=O)c2N)oc1C 74245435 572477532 /nfs/dbraw/zinc/47/75/32/572477532.db2.gz HHJRUFBQHKERPG-UHFFFAOYSA-N 0 0 195.178 1.234 10 0 ADAERN CCn1ncnc1C[C@H](O)CC(C)C 83992221 572477565 /nfs/dbraw/zinc/47/75/65/572477565.db2.gz RINMJHPJOOCZDA-SECBINFHSA-N 0 0 197.282 1.248 10 0 ADAERN CC(C)n1ncnc1CC[C@@H](C)O 83994569 572477567 /nfs/dbraw/zinc/47/75/67/572477567.db2.gz BUMJNBLSSVUNHC-MRVPVSSYSA-N 0 0 183.255 1.172 10 0 ADAERN CCn1ncnc1C[C@@H](O)C1CCC1 83993210 572477578 /nfs/dbraw/zinc/47/75/78/572477578.db2.gz OSVMNQKFOCZIRW-SECBINFHSA-N 0 0 195.266 1.002 10 0 ADAERN C/C=C/CCNC(=O)C(F)(F)Cl 308039944 572477582 /nfs/dbraw/zinc/47/75/82/572477582.db2.gz MWSFIRLFIRFAAG-NSCUHMNNSA-N 0 0 197.612 1.900 10 0 ADAERN CCC[C@H](O)Cc1ncnn1CC 83992206 572477601 /nfs/dbraw/zinc/47/76/01/572477601.db2.gz KZCJVALCHYCIOM-QMMMGPOBSA-N 0 0 183.255 1.002 10 0 ADAERN CC[C@H](Cc1ncnn1CC)[C@H](C)O 83994587 572477654 /nfs/dbraw/zinc/47/76/54/572477654.db2.gz FAYKMKZEJFRFCN-DTWKUNHWSA-N 0 0 197.282 1.248 10 0 ADAERN Cc1cc(Cn2cc[nH]c2=S)no1 44726289 572477657 /nfs/dbraw/zinc/47/76/57/572477657.db2.gz SMELNUGQXOKBER-UHFFFAOYSA-N 0 0 195.247 1.890 10 0 ADAERN CC[C@@H](Cc1ncnn1CC)[C@@H](C)O 83994581 572477662 /nfs/dbraw/zinc/47/76/62/572477662.db2.gz FAYKMKZEJFRFCN-BDAKNGLRSA-N 0 0 197.282 1.248 10 0 ADAERN CC[C@H](O)[C@H](C)Cc1ncnn1CC 83994801 572477666 /nfs/dbraw/zinc/47/76/66/572477666.db2.gz JBIOSKCWFWKKQW-BDAKNGLRSA-N 0 0 197.282 1.248 10 0 ADAERN CCCC(=O)[C@@H](CCC)OC=O 238262969 572477672 /nfs/dbraw/zinc/47/76/72/572477672.db2.gz JVRRZYZKTYNKJI-SECBINFHSA-N 0 0 172.224 1.697 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1ncnn1CC 83994796 572477683 /nfs/dbraw/zinc/47/76/83/572477683.db2.gz JBIOSKCWFWKKQW-DTWKUNHWSA-N 0 0 197.282 1.248 10 0 ADAERN CC(=O)OC/C=C\c1cccnc1 34258915 572477685 /nfs/dbraw/zinc/47/76/85/572477685.db2.gz VZJUXZJCVLYTHF-HYXAFXHYSA-N 0 0 177.203 1.658 10 0 ADAERN CCC[C@@H](O)Cc1ncnn1CCC 83992213 572477696 /nfs/dbraw/zinc/47/76/96/572477696.db2.gz ULTXFSMBPSRLRT-SECBINFHSA-N 0 0 197.282 1.392 10 0 ADAERN CC[C@@H](O)CCc1ncnn1C(C)C 83994642 572477710 /nfs/dbraw/zinc/47/77/10/572477710.db2.gz DIPFSQTYKZLSRZ-SECBINFHSA-N 0 0 197.282 1.563 10 0 ADAERN CCn1ncnc1CC[C@@H](O)C(C)C 83994653 572477713 /nfs/dbraw/zinc/47/77/13/572477713.db2.gz WKCRBKWYOZLNKY-SECBINFHSA-N 0 0 197.282 1.248 10 0 ADAERN CCn1ncnc1CC(=O)[C@@H]1C[C@@H]1C 83993015 572477754 /nfs/dbraw/zinc/47/77/54/572477754.db2.gz KNLDISSNTJJPJU-JGVFFNPUSA-N 0 0 193.250 1.066 10 0 ADAERN CCC[C@H](O)N(F)C(=O)OCC 238262936 572477759 /nfs/dbraw/zinc/47/77/59/572477759.db2.gz NRIDAYJJSBTZIP-LURJTMIESA-N 0 0 179.191 1.448 10 0 ADAERN CC(C)S[C@@H]1CCC(=O)N1 141459649 572477768 /nfs/dbraw/zinc/47/77/68/572477768.db2.gz XIOUZFQBCHCAJP-SSDOTTSWSA-N 0 0 159.254 1.364 10 0 ADAERN CCCC(=O)Cc1ncnn1CCC 83992745 572477777 /nfs/dbraw/zinc/47/77/77/572477777.db2.gz CRRHGNJOKBPQQP-UHFFFAOYSA-N 0 0 195.266 1.600 10 0 ADAERN CCCC[C@@H](O)Cc1ncnn1CC 83992276 572477789 /nfs/dbraw/zinc/47/77/89/572477789.db2.gz UAYKTTLOGOFVJX-SECBINFHSA-N 0 0 197.282 1.392 10 0 ADAERN CCCn1ncnc1CCC[C@H](C)O 83997480 572477807 /nfs/dbraw/zinc/47/78/07/572477807.db2.gz UNHKKYUKIRDJOH-VIFPVBQESA-N 0 0 197.282 1.392 10 0 ADAERN CC(C)Cn1ncnc1CCCCO 83997472 572477813 /nfs/dbraw/zinc/47/78/13/572477813.db2.gz OOMSRNKKWIPXIN-UHFFFAOYSA-N 0 0 197.282 1.249 10 0 ADAERN CCC[C@H](O)CCc1ncnn1CC 83994610 572477821 /nfs/dbraw/zinc/47/78/21/572477821.db2.gz JCADAXCFYBHJPN-VIFPVBQESA-N 0 0 197.282 1.392 10 0 ADAERN CCCn1ncnc1C[C@H](O)CC 83992262 572477845 /nfs/dbraw/zinc/47/78/45/572477845.db2.gz NYALBJXLZKPOHW-MRVPVSSYSA-N 0 0 183.255 1.002 10 0 ADAERN CCn1ncnc1CC(=O)CC(C)C 83992706 572477860 /nfs/dbraw/zinc/47/78/60/572477860.db2.gz DGEPBZQMEHIENQ-UHFFFAOYSA-N 0 0 195.266 1.456 10 0 ADAERN CCCn1ncnc1Cn1cccc1 83996620 572477865 /nfs/dbraw/zinc/47/78/65/572477865.db2.gz RVGXMRHXQTYQFH-UHFFFAOYSA-N 0 0 190.250 1.538 10 0 ADAERN Cc1cc([C@H](C)NC(N)=S)c(C)o1 44730928 572477870 /nfs/dbraw/zinc/47/78/70/572477870.db2.gz DAFVICJJSSQNCI-LURJTMIESA-N 0 0 198.291 1.791 10 0 ADAERN CCn1ncnc1CC(=O)[C@@H]1C[C@H]1C 83993017 572477898 /nfs/dbraw/zinc/47/78/98/572477898.db2.gz KNLDISSNTJJPJU-HTQZYQBOSA-N 0 0 193.250 1.066 10 0 ADAERN CCn1ncnc1C[C@@H](C)C[C@H](C)O 83997629 572477913 /nfs/dbraw/zinc/47/79/13/572477913.db2.gz SKGMOELOVMUSEL-IUCAKERBSA-N 0 0 197.282 1.248 10 0 ADAERN CCn1ncnc1CCC[C@@H](C)O 83997473 572477933 /nfs/dbraw/zinc/47/79/33/572477933.db2.gz FEIKEPRQPIMEHV-MRVPVSSYSA-N 0 0 183.255 1.002 10 0 ADAERN CCC[C@H](C)[C@@H]1CC[C@H](CO)O1 308040306 572477959 /nfs/dbraw/zinc/47/79/59/572477959.db2.gz NAAQSPAQOZYJHC-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN CCCn1ncnc1CC[C@@H](C)CO 83997614 572477967 /nfs/dbraw/zinc/47/79/67/572477967.db2.gz NUJQRFXTBWTRPZ-SECBINFHSA-N 0 0 197.282 1.249 10 0 ADAERN CCCn1ncnc1C[C@H](C)[C@@H](C)O 83994714 572477998 /nfs/dbraw/zinc/47/79/98/572477998.db2.gz RHMRRCPTPFGIAI-DTWKUNHWSA-N 0 0 197.282 1.248 10 0 ADAERN CC(C)C(=O)Cc1ncnn1C(C)C 83992723 572477982 /nfs/dbraw/zinc/47/79/82/572477982.db2.gz XVCVCLRLLFUJPH-UHFFFAOYSA-N 0 0 195.266 1.627 10 0 ADAERN CCC[C@H](O)Cc1ncnn1C(C)C 83992201 572478002 /nfs/dbraw/zinc/47/80/02/572478002.db2.gz ABSJYYHOGZPFPP-VIFPVBQESA-N 0 0 197.282 1.563 10 0 ADAERN C/C=C\CCNC(=O)C(F)(F)Cl 308039943 572478005 /nfs/dbraw/zinc/47/80/05/572478005.db2.gz MWSFIRLFIRFAAG-IHWYPQMZSA-N 0 0 197.612 1.900 10 0 ADAERN CC[C@@H](Cc1ncnn1CC)[C@H](C)O 83994585 572478009 /nfs/dbraw/zinc/47/80/09/572478009.db2.gz FAYKMKZEJFRFCN-IUCAKERBSA-N 0 0 197.282 1.248 10 0 ADAERN CCOC(=O)c1ccc(CC)nc1N 238262997 572478013 /nfs/dbraw/zinc/47/80/13/572478013.db2.gz OXLVQNPEOYXLKJ-UHFFFAOYSA-N 0 0 194.234 1.403 10 0 ADAERN CC(=O)Cc1ncnn1CC(C)C 83992733 572478070 /nfs/dbraw/zinc/47/80/70/572478070.db2.gz LDKBBICNNCHNAG-UHFFFAOYSA-N 0 0 181.239 1.066 10 0 ADAERN COc1ncccc1C[C@H](C)[C@@H](C)O 87415318 572478082 /nfs/dbraw/zinc/47/80/82/572478082.db2.gz STXIMMMNIPUHBW-DTWKUNHWSA-N 0 0 195.262 1.650 10 0 ADAERN COc1ncccc1CC[C@@H](C)O 87415301 572478108 /nfs/dbraw/zinc/47/81/08/572478108.db2.gz MYNGTRZRYATTLB-MRVPVSSYSA-N 0 0 181.235 1.404 10 0 ADAERN C(NC1CC1)c1nnc(C2CC2)s1 83983256 572478125 /nfs/dbraw/zinc/47/81/25/572478125.db2.gz NEQHHLDZGHLYMT-UHFFFAOYSA-N 0 0 195.291 1.668 10 0 ADAERN CNC(=O)[C@H](C)[C@H](C)[C@H](O)C(C)C 308039952 572478136 /nfs/dbraw/zinc/47/81/36/572478136.db2.gz AAVRYOAJMDLFMO-DJLDLDEBSA-N 0 0 187.283 1.022 10 0 ADAERN CC(C)n1ncnc1CC(=O)C1CC1 83992760 572478142 /nfs/dbraw/zinc/47/81/42/572478142.db2.gz TWAOKWDJVKLKDL-UHFFFAOYSA-N 0 0 193.250 1.381 10 0 ADAERN C[C@@H]1CC[C@H]1[NH2+]C/C=C\C(=O)[O-] 308040286 572478165 /nfs/dbraw/zinc/47/81/65/572478165.db2.gz MYWXRDWDBLMRHF-OUZXLXBKSA-N 0 0 169.224 1.015 10 0 ADAERN CCCn1ncnc1C[C@@H](O)C(C)C 83992063 572478213 /nfs/dbraw/zinc/47/82/13/572478213.db2.gz GTVJTIKJUJQKKN-SECBINFHSA-N 0 0 197.282 1.248 10 0 ADAERN Cc1cc(Cn2cccc2C=O)no1 44727583 572478229 /nfs/dbraw/zinc/47/82/29/572478229.db2.gz JZUJLJFIVIAIFM-UHFFFAOYSA-N 0 0 190.202 1.645 10 0 ADAERN CO[C@H](C(C)C)[C@H](O)c1ccn(C)n1 231971339 572478235 /nfs/dbraw/zinc/47/82/35/572478235.db2.gz YBAJXSGGSZJBDM-NXEZZACHSA-N 0 0 198.266 1.125 10 0 ADAERN CCCn1ncnc1CCCC(C)=O 83996802 572478245 /nfs/dbraw/zinc/47/82/45/572478245.db2.gz XFTJTKFOWBKFAD-UHFFFAOYSA-N 0 0 195.266 1.600 10 0 ADAERN CCOC(=O)Cc1nc(C2CC2)c[nH]1 238263247 572478323 /nfs/dbraw/zinc/47/83/23/572478323.db2.gz NOOSKEIOZZMALM-UHFFFAOYSA-N 0 0 194.234 1.393 10 0 ADAERN CCn1ncnc1C[C@H](C)CC(C)=O 83996869 572478334 /nfs/dbraw/zinc/47/83/34/572478334.db2.gz KWCHKRDLHCEWIV-MRVPVSSYSA-N 0 0 195.266 1.456 10 0 ADAERN CCCn1ncnc1C[C@H](C)[C@H](C)O 83994721 572478355 /nfs/dbraw/zinc/47/83/55/572478355.db2.gz RHMRRCPTPFGIAI-IUCAKERBSA-N 0 0 197.282 1.248 10 0 ADAERN CC(C)n1ncnc1CC[C@H](C)CO 83997619 572478357 /nfs/dbraw/zinc/47/83/57/572478357.db2.gz OXQYJPUFOFXVKG-VIFPVBQESA-N 0 0 197.282 1.420 10 0 ADAERN CC[C@@H](O)CCc1ncnn1CC 83994637 572478371 /nfs/dbraw/zinc/47/83/71/572478371.db2.gz XOUIZLOVFGBMDI-MRVPVSSYSA-N 0 0 183.255 1.002 10 0 ADAERN CC[C@@H](C)[C@H](O)Cc1ncnn1CC 83992132 572478374 /nfs/dbraw/zinc/47/83/74/572478374.db2.gz PKWYUWFBQOVFHH-RKDXNWHRSA-N 0 0 197.282 1.248 10 0 ADAERN CCCn1cc2[nH]cccc-2c1=O 141437785 572478377 /nfs/dbraw/zinc/47/83/77/572478377.db2.gz MCFMOSFVZADTSJ-UHFFFAOYSA-N 0 0 176.219 1.447 10 0 ADAERN CC(=O)NOCc1ccc(C)cc1O 141456513 572478436 /nfs/dbraw/zinc/47/84/36/572478436.db2.gz FBRXGQDRYVTUQS-UHFFFAOYSA-N 0 0 195.218 1.268 10 0 ADAERN CCOC(=O)Cc1[nH]cnc1C(C)C 238262576 572478547 /nfs/dbraw/zinc/47/85/47/572478547.db2.gz INHUXHVJLNLIJS-UHFFFAOYSA-N 0 0 196.250 1.639 10 0 ADAERN Cc1nc(C)c(-c2o[nH]c(=O)c2N)o1 74245442 572478554 /nfs/dbraw/zinc/47/85/54/572478554.db2.gz BYLPGGRBVQNQNF-UHFFFAOYSA-N 0 0 195.178 1.234 10 0 ADAERN COc1ncccc1C[C@H](C)[C@H](C)O 87415320 572478710 /nfs/dbraw/zinc/47/87/10/572478710.db2.gz STXIMMMNIPUHBW-IUCAKERBSA-N 0 0 195.262 1.650 10 0 ADAERN CCc1nc(-c2ccccc2N)no1 44732179 572478716 /nfs/dbraw/zinc/47/87/16/572478716.db2.gz SNRIUVOKYWEFOQ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CONC(=O)[C@@H](C)Cc1ccccc1 62141529 572478814 /nfs/dbraw/zinc/47/88/14/572478814.db2.gz UNMJLJPSLJKFQQ-VIFPVBQESA-N 0 0 193.246 1.543 10 0 ADAERN Cc1ccc(CO)c([S-])c1 141403757 572478833 /nfs/dbraw/zinc/47/88/33/572478833.db2.gz KJCKGXXOWKNXFR-UHFFFAOYSA-N 0 0 154.234 1.776 10 0 ADAERN CCOC(=O)c1ccc(CO)nc1C 238263217 572478894 /nfs/dbraw/zinc/47/88/94/572478894.db2.gz WLEYNNCAAODVFY-UHFFFAOYSA-N 0 0 195.218 1.059 10 0 ADAERN CCN(CO)C(=O)OCC(C)C 238262594 572478923 /nfs/dbraw/zinc/47/89/23/572478923.db2.gz LFNARTYWUHBJNK-UHFFFAOYSA-N 0 0 175.228 1.051 10 0 ADAERN C[NH2+]CCc1c(C(C)C)[n-]n(C)c1=O 250571955 572478953 /nfs/dbraw/zinc/47/89/53/572478953.db2.gz KHQPMTXXQNVONY-UHFFFAOYSA-N 0 0 197.282 1.011 10 0 ADAERN COc1cc(NC(C)=O)c(O)cc1C 141456935 572478990 /nfs/dbraw/zinc/47/89/90/572478990.db2.gz BNZXBSNGXUXHJR-UHFFFAOYSA-N 0 0 195.218 1.668 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 308041321 572479002 /nfs/dbraw/zinc/47/90/02/572479002.db2.gz NMQOGQRKRNNUMK-GPXZJDCPSA-N 0 0 165.236 1.477 10 0 ADAERN CCC[C@H](C)NC(=O)c1nc(C)n[nH]1 87446780 572479078 /nfs/dbraw/zinc/47/90/78/572479078.db2.gz UVBHODXLHWYKPO-LURJTMIESA-N 0 0 196.254 1.032 10 0 ADAERN COC1=NCNc2ccccc21 141410409 572479084 /nfs/dbraw/zinc/47/90/84/572479084.db2.gz CWBCLIBJLVRRCP-UHFFFAOYSA-N 0 0 162.192 1.463 10 0 ADAERN O[C@H](Cc1ccsc1)[C@H]1CCOC1 62137568 572479105 /nfs/dbraw/zinc/47/91/05/572479105.db2.gz NDKDDZIRIBGPPM-VHSXEESVSA-N 0 0 198.287 1.688 10 0 ADAERN Cc1ccc(CC(N)=O)cc1F 141412848 572479110 /nfs/dbraw/zinc/47/91/10/572479110.db2.gz UQTGDJRVQGSLDJ-UHFFFAOYSA-N 0 0 167.183 1.162 10 0 ADAERN CCC[C@H](O)CO[C@@H]1CCCCO1 238262502 572479178 /nfs/dbraw/zinc/47/91/78/572479178.db2.gz ZREPOEXAZPBUDJ-VHSXEESVSA-N 0 0 188.267 1.691 10 0 ADAERN CCCCS[C@H]1CCC(=O)N1 141471825 572479189 /nfs/dbraw/zinc/47/91/89/572479189.db2.gz QUJPCGTXTJZMLE-QMMMGPOBSA-N 0 0 173.281 1.756 10 0 ADAERN CCN(CC)c1nc(C)nc(NC)n1 84027183 572479202 /nfs/dbraw/zinc/47/92/02/572479202.db2.gz WXFOVTGMEBKZSH-UHFFFAOYSA-N 0 0 195.270 1.068 10 0 ADAERN CCC[C@@H](C)NC(=O)c1nc(C)n[nH]1 87446779 572479247 /nfs/dbraw/zinc/47/92/47/572479247.db2.gz UVBHODXLHWYKPO-ZCFIWIBFSA-N 0 0 196.254 1.032 10 0 ADAERN CCN(C)C(=O)c1n[nH]c(C(C)C)n1 87447050 572479254 /nfs/dbraw/zinc/47/92/54/572479254.db2.gz PQUURGUNWYCLMP-UHFFFAOYSA-N 0 0 196.254 1.020 10 0 ADAERN COc1cc(C(C)=O)ccc1CO 141433142 572479277 /nfs/dbraw/zinc/47/92/77/572479277.db2.gz NTPGWKKOOJWODQ-UHFFFAOYSA-N 0 0 180.203 1.390 10 0 ADAERN C[C@H](CCC(C)(C)C)[C@H]([NH3+])C(=O)[O-] 114455144 572479279 /nfs/dbraw/zinc/47/92/79/572479279.db2.gz FCAPVAFHUOZOCZ-SFYZADRCSA-N 0 0 187.283 1.861 10 0 ADAERN c1cnc2[nH]c(C3CC3)nc2n1 141426443 572479292 /nfs/dbraw/zinc/47/92/92/572479292.db2.gz IRAUVHAZUFBTIF-UHFFFAOYSA-N 0 0 160.180 1.230 10 0 ADAERN C[C@H](CC1CCCC1)[C@@H]([NH3+])C(=O)[O-] 114457542 572479332 /nfs/dbraw/zinc/47/93/32/572479332.db2.gz GHHMAOXYAKAEOM-VXNVDRBHSA-N 0 0 185.267 1.615 10 0 ADAERN CCOCCC(=O)c1ncco1 238263059 572479337 /nfs/dbraw/zinc/47/93/37/572479337.db2.gz MARUAWBMZBZBNB-UHFFFAOYSA-N 0 0 169.180 1.284 10 0 ADAERN CCC[C@H](O)[C@@H](CC)COCCO 238263319 572479394 /nfs/dbraw/zinc/47/93/94/572479394.db2.gz DXSMTIOPNSMNTI-UWVGGRQHSA-N 0 0 190.283 1.183 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1CC1CC1 250568084 572479403 /nfs/dbraw/zinc/47/94/03/572479403.db2.gz DMWWUZWKRRJXDV-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN CC1=C(Cl)C[C@H](O)C1 141447048 572479405 /nfs/dbraw/zinc/47/94/05/572479405.db2.gz FDOIJDQDXDUZGN-RXMQYKEDSA-N 0 0 132.590 1.654 10 0 ADAERN C[N@@H+]1CCC[C@@]2(CC1)C[C@H]2C(=O)[O-] 250559858 572479410 /nfs/dbraw/zinc/47/94/10/572479410.db2.gz CDJJNUOXLBUWCR-WCBMZHEXSA-N 0 0 183.251 1.193 10 0 ADAERN O[C@@H](Cc1ccsc1)[C@@H]1CCOC1 62137565 572479419 /nfs/dbraw/zinc/47/94/19/572479419.db2.gz NDKDDZIRIBGPPM-ZJUUUORDSA-N 0 0 198.287 1.688 10 0 ADAERN Nc1cncc(Cc2ccncc2)n1 84026978 572479449 /nfs/dbraw/zinc/47/94/49/572479449.db2.gz JKWMUYBORZWIPU-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN CCC[C@H](O)CO[C@H]1CCCCO1 238262511 572479455 /nfs/dbraw/zinc/47/94/55/572479455.db2.gz ZREPOEXAZPBUDJ-UWVGGRQHSA-N 0 0 188.267 1.691 10 0 ADAERN CC[NH2+][C@H]1CCC[C@H](CC(=O)[O-])C1 238262782 572479461 /nfs/dbraw/zinc/47/94/61/572479461.db2.gz MPUBYRHZYGHZGM-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN O[C@H]1CC=C(Cl)C1 141433198 572479468 /nfs/dbraw/zinc/47/94/68/572479468.db2.gz ZEEMIWNRLOGSJO-YFKPBYRVSA-N 0 0 118.563 1.264 10 0 ADAERN C[C@H](C#N)C(=O)Oc1ccccc1 141403991 572479478 /nfs/dbraw/zinc/47/94/78/572479478.db2.gz LGITZBLTZBSYIK-MRVPVSSYSA-N 0 0 175.187 1.752 10 0 ADAERN CCCCc1ccc(C(N)=O)o1 238263230 572479486 /nfs/dbraw/zinc/47/94/86/572479486.db2.gz UVFUPLMQGKHBBD-UHFFFAOYSA-N 0 0 167.208 1.721 10 0 ADAERN C[C@@H](CCC(C)(C)C)[C@H]([NH3+])C(=O)[O-] 114455143 572479498 /nfs/dbraw/zinc/47/94/98/572479498.db2.gz FCAPVAFHUOZOCZ-YUMQZZPRSA-N 0 0 187.283 1.861 10 0 ADAERN CCOCCC(C(C)=O)C(C)=O 238263068 572479535 /nfs/dbraw/zinc/47/95/35/572479535.db2.gz BXLBDMTXCOECFM-UHFFFAOYSA-N 0 0 172.224 1.207 10 0 ADAERN C[C@@H]1C[C@H](c2n[nH]cc2C=O)CCO1 74246797 572479773 /nfs/dbraw/zinc/47/97/73/572479773.db2.gz XQXIASGTRTZESN-HTQZYQBOSA-N 0 0 194.234 1.505 10 0 ADAERN CCCNc1nc(C)nc(OCC)n1 84027748 572479568 /nfs/dbraw/zinc/47/95/68/572479568.db2.gz VTLGAWFPQJTZAL-UHFFFAOYSA-N 0 0 196.254 1.401 10 0 ADAERN C[N@@H+]1CC[C@H]1[C@@H](C(=O)[O-])C1CCC1 250575223 572479606 /nfs/dbraw/zinc/47/96/06/572479606.db2.gz FHVRIBBPFAGJGU-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN CC[NH2+]Cc1cc(N)cc(C(=O)[O-])c1 238262923 572479628 /nfs/dbraw/zinc/47/96/28/572479628.db2.gz YQUOOMKLPRDSEU-UHFFFAOYSA-N 0 0 194.234 1.077 10 0 ADAERN O[C@@H]1CC=C(Cl)C1 141432993 572479638 /nfs/dbraw/zinc/47/96/38/572479638.db2.gz ZEEMIWNRLOGSJO-RXMQYKEDSA-N 0 0 118.563 1.264 10 0 ADAERN Cc1[nH]c(C2CCOCC2)nc1C=O 74246786 572479654 /nfs/dbraw/zinc/47/96/54/572479654.db2.gz PFJAMRRUGZTUGJ-UHFFFAOYSA-N 0 0 194.234 1.425 10 0 ADAERN Cc1n[nH]c(C)c1-c1ncsc1N 74246275 572479694 /nfs/dbraw/zinc/47/96/94/572479694.db2.gz SWYIHXCNJIPSLU-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1cnc(-c2ncsc2N)n1C 74246274 572479706 /nfs/dbraw/zinc/47/97/06/572479706.db2.gz CXBVAQCFXQPWGE-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN O[C@H](Cc1ccsc1)[C@@H]1CCOC1 62137566 572479742 /nfs/dbraw/zinc/47/97/42/572479742.db2.gz NDKDDZIRIBGPPM-NXEZZACHSA-N 0 0 198.287 1.688 10 0 ADAERN C[N@@H+]1CCC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 250577340 572479758 /nfs/dbraw/zinc/47/97/58/572479758.db2.gz FNRZWKZXQMJAMQ-KXUCPTDWSA-N 0 0 197.278 1.582 10 0 ADAERN O=CN/C=C\c1cc(F)ccc1F 141425009 572479785 /nfs/dbraw/zinc/47/97/85/572479785.db2.gz LPQSCNZRYRLOIQ-ARJAWSKDSA-N 0 0 183.157 1.682 10 0 ADAERN O=Cc1cnc(Nc2cc[nH]n2)s1 74246870 572479786 /nfs/dbraw/zinc/47/97/86/572479786.db2.gz LOMZAHGOKOPNJU-UHFFFAOYSA-N 0 0 194.219 1.422 10 0 ADAERN CCCCS[C@@H]1CCC(=O)N1 141471637 572479835 /nfs/dbraw/zinc/47/98/35/572479835.db2.gz QUJPCGTXTJZMLE-MRVPVSSYSA-N 0 0 173.281 1.756 10 0 ADAERN CCC[C@H](CC(C)=O)C(=O)OC 238263308 572479856 /nfs/dbraw/zinc/47/98/56/572479856.db2.gz CYAAZVQHCQNTLE-MRVPVSSYSA-N 0 0 172.224 1.555 10 0 ADAERN CC[C@H]1C[C@@]1(O)CCCOC 87438594 572479901 /nfs/dbraw/zinc/47/99/01/572479901.db2.gz DLJGZNNDSMGCOW-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN OCC1Cc2cc(F)c(F)cc2C1 141411245 572479925 /nfs/dbraw/zinc/47/99/25/572479925.db2.gz MYIUBTXFTRVRLQ-UHFFFAOYSA-N 0 0 184.185 1.672 10 0 ADAERN Cc1nsnc1-c1nc(C=O)c[nH]1 74246871 572479936 /nfs/dbraw/zinc/47/99/36/572479936.db2.gz ZPLSGJRKQPFSQY-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN O[C@@H](Cc1cccs1)[C@H]1CCOC1 62139403 572479949 /nfs/dbraw/zinc/47/99/49/572479949.db2.gz ISNTUQHNMYYPIL-WPRPVWTQSA-N 0 0 198.287 1.688 10 0 ADAERN Cc1nc([C@H](CC(C)(C)C)NN)co1 713258414 572479983 /nfs/dbraw/zinc/47/99/83/572479983.db2.gz VAFHCOWKTPNGFR-QMMMGPOBSA-N 0 0 197.282 1.924 10 0 ADAERN Cc1nc(N)c(C2CC2)nc1C 84026512 572479989 /nfs/dbraw/zinc/47/99/89/572479989.db2.gz QLEPGOGMMUCVCQ-UHFFFAOYSA-N 0 0 163.224 1.553 10 0 ADAERN CC(C)N1CCCCC(=O)C1 141468304 572480001 /nfs/dbraw/zinc/48/00/01/572480001.db2.gz XWFYZFNCXQMJHK-UHFFFAOYSA-N 0 0 155.241 1.450 10 0 ADAERN NC(=O)CCCC/C=C/Cl 141466223 572480824 /nfs/dbraw/zinc/48/08/24/572480824.db2.gz KRNAUMBWFOOENC-GQCTYLIASA-N 0 0 161.632 1.785 10 0 ADAERN CCCCc1cc(O)cc(CO)c1O 238262765 572480048 /nfs/dbraw/zinc/48/00/48/572480048.db2.gz KCULNHZHOLEXEX-UHFFFAOYSA-N 0 0 196.246 1.933 10 0 ADAERN CC(C)Cc1nn(C)c2c1CCCN2 250570190 572480064 /nfs/dbraw/zinc/48/00/64/572480064.db2.gz OYCAZIXXQZEUIE-UHFFFAOYSA-N 0 0 193.294 1.977 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2C1 250563830 572480072 /nfs/dbraw/zinc/48/00/72/572480072.db2.gz CYCUESRVRZOVRP-OPRDCNLKSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@H]1C[C@H](c2cc(C=O)n[nH]2)CCO1 74246792 572480701 /nfs/dbraw/zinc/48/07/01/572480701.db2.gz DUKZPYRNQDFCMM-JGVFFNPUSA-N 0 0 194.234 1.505 10 0 ADAERN Cc1cc(C)c(-c2snnc2N)[nH]1 74246293 572480122 /nfs/dbraw/zinc/48/01/22/572480122.db2.gz YXNUETFQPTZBED-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN C[C@@H](CC1CCC1)[C@H]([NH3+])C(=O)[O-] 114454023 572480144 /nfs/dbraw/zinc/48/01/44/572480144.db2.gz QONVMZZCLUHGSU-XPUUQOCRSA-N 0 0 171.240 1.225 10 0 ADAERN Cc1cc(C(=O)[C@@H](N)CC2CC2)no1 74246657 572480146 /nfs/dbraw/zinc/48/01/46/572480146.db2.gz XPQLXFOLJPYXGD-QMMMGPOBSA-N 0 0 194.234 1.293 10 0 ADAERN Cc1cc(O)c2nc[nH]c2c1 141415814 572480173 /nfs/dbraw/zinc/48/01/73/572480173.db2.gz BIIPIKZTNCSIIM-UHFFFAOYSA-N 0 0 148.165 1.577 10 0 ADAERN CCC[C@H](O)C/C=C/C[C@@H](C)O 238262755 572480187 /nfs/dbraw/zinc/48/01/87/572480187.db2.gz IIPGPHVRBSGPOG-CFUOYWMPSA-N 0 0 172.268 1.865 10 0 ADAERN CC1=C(F)C[C@H](O)C1 141455617 572480201 /nfs/dbraw/zinc/48/02/01/572480201.db2.gz KENGQQKVZGXINR-RXMQYKEDSA-N 0 0 116.135 1.385 10 0 ADAERN C[C@H](CC1CCCC1)[C@H]([NH3+])C(=O)[O-] 114457545 572480221 /nfs/dbraw/zinc/48/02/21/572480221.db2.gz GHHMAOXYAKAEOM-APPZFPTMSA-N 0 0 185.267 1.615 10 0 ADAERN CCOCCCc1cnc(CN)o1 87439014 572480241 /nfs/dbraw/zinc/48/02/41/572480241.db2.gz GBGQWZKWPLIRFD-UHFFFAOYSA-N 0 0 184.239 1.102 10 0 ADAERN CCN(CNC(=O)OC(C)C)N=O 238262549 572480277 /nfs/dbraw/zinc/48/02/77/572480277.db2.gz ULANRDGZMOFIET-UHFFFAOYSA-N 0 0 189.215 1.082 10 0 ADAERN C/C=C\n1nnc2ccccc21 33935389 572480281 /nfs/dbraw/zinc/48/02/81/572480281.db2.gz DRWHCTRTNUOACY-UQCOIBPSSA-N 0 0 159.192 1.922 10 0 ADAERN O[C@@H](Cc1ccsc1)[C@H]1CCOC1 62137567 572480291 /nfs/dbraw/zinc/48/02/91/572480291.db2.gz NDKDDZIRIBGPPM-UWVGGRQHSA-N 0 0 198.287 1.688 10 0 ADAERN CC[C@H]1C[C@]1(O)CCCOC 87438590 572480303 /nfs/dbraw/zinc/48/03/03/572480303.db2.gz DLJGZNNDSMGCOW-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CCOCCC[C@@]1(O)C[C@@H]1CC 87438599 572480327 /nfs/dbraw/zinc/48/03/27/572480327.db2.gz VTYOSQINBREPNN-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CC[C@@H]1C[C@]1(O)C[C@@H](C)COC 87438579 572480340 /nfs/dbraw/zinc/48/03/40/572480340.db2.gz RBLSXYQYLJBTCW-OPRDCNLKSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1nc(-c2nc(C)sc2N)c[nH]1 74246278 572480354 /nfs/dbraw/zinc/48/03/54/572480354.db2.gz PLTZIOJAHVEOFQ-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN C[C@@H](CO)CCC(C)(C)O 141433217 572480476 /nfs/dbraw/zinc/48/04/76/572480476.db2.gz ZQCHRLFUCIMOOM-SSDOTTSWSA-N 0 0 146.230 1.166 10 0 ADAERN CC(C)S[C@H]1CCC(=O)N1 141459834 572480400 /nfs/dbraw/zinc/48/04/00/572480400.db2.gz XIOUZFQBCHCAJP-ZETCQYMHSA-N 0 0 159.254 1.364 10 0 ADAERN CO[C@@H](C)CNc1ccc(N)c(N)c1 234751477 572480410 /nfs/dbraw/zinc/48/04/10/572480410.db2.gz KDWWKWNJTHGURO-ZETCQYMHSA-N 0 0 195.266 1.298 10 0 ADAERN CCO[C@@H]1CCC=C[C@H]1CC(N)=O 238263141 572480414 /nfs/dbraw/zinc/48/04/14/572480414.db2.gz PXVHJBJDNLAMEU-DTWKUNHWSA-N 0 0 183.251 1.233 10 0 ADAERN CCCc1ccc2c(=O)ccnc-2[nH]1 141418535 572480439 /nfs/dbraw/zinc/48/04/39/572480439.db2.gz DZBWXTCGVMUFLG-UHFFFAOYSA-N 0 0 188.230 1.876 10 0 ADAERN CCC[C@@H](OCC)[C@@H](O)C(C)=O 238263054 572480459 /nfs/dbraw/zinc/48/04/59/572480459.db2.gz IVXKWDFLZSCIGK-BDAKNGLRSA-N 0 0 174.240 1.142 10 0 ADAERN CCOCCCc1nnc([C@@H](C)N)o1 87438339 572480467 /nfs/dbraw/zinc/48/04/67/572480467.db2.gz ZRRNWRNRCHFFGQ-SSDOTTSWSA-N 0 0 199.254 1.058 10 0 ADAERN Nc1cc(Cl)cc2c1OCCO2 141414118 572480490 /nfs/dbraw/zinc/48/04/90/572480490.db2.gz OYXNWVWNAJBYFI-UHFFFAOYSA-N 0 0 185.610 1.693 10 0 ADAERN CCCCn1[nH]c(=O)c2cccnc21 141458580 572480501 /nfs/dbraw/zinc/48/05/01/572480501.db2.gz RMSYBZVFIRZKTJ-UHFFFAOYSA-N 0 0 191.234 1.525 10 0 ADAERN CCOCCCc1nnc([C@H](C)N)o1 87438341 572480533 /nfs/dbraw/zinc/48/05/33/572480533.db2.gz ZRRNWRNRCHFFGQ-ZETCQYMHSA-N 0 0 199.254 1.058 10 0 ADAERN CC1=C(F)C[C@@H](O)C1 141455439 572480534 /nfs/dbraw/zinc/48/05/34/572480534.db2.gz KENGQQKVZGXINR-YFKPBYRVSA-N 0 0 116.135 1.385 10 0 ADAERN COc1cnc(C)c(O)c1C 141471557 572480556 /nfs/dbraw/zinc/48/05/56/572480556.db2.gz HXBDHKNHXRYHLV-UHFFFAOYSA-N 0 0 153.181 1.413 10 0 ADAERN C[C@@H](CC1CCCC1)[C@H]([NH3+])C(=O)[O-] 114457544 572480573 /nfs/dbraw/zinc/48/05/73/572480573.db2.gz GHHMAOXYAKAEOM-CBAPKCEASA-N 0 0 185.267 1.615 10 0 ADAERN O[C@@H](Cc1cccs1)[C@@H]1CCOC1 62139399 572480576 /nfs/dbraw/zinc/48/05/76/572480576.db2.gz ISNTUQHNMYYPIL-SCZZXKLOSA-N 0 0 198.287 1.688 10 0 ADAERN CC1=[NH+]CCNC(C)=C1Cl 141408048 572480581 /nfs/dbraw/zinc/48/05/81/572480581.db2.gz AHSJBPGWBSZAHR-UHFFFAOYSA-N 0 0 158.632 1.521 10 0 ADAERN CCN(CO)C(=O)c1ccccc1 238262604 572480643 /nfs/dbraw/zinc/48/06/43/572480643.db2.gz PNGNJSFDCZHHIA-UHFFFAOYSA-N 0 0 179.219 1.099 10 0 ADAERN O[C@H](Cc1cccs1)[C@@H]1CCOC1 62139401 572480652 /nfs/dbraw/zinc/48/06/52/572480652.db2.gz ISNTUQHNMYYPIL-PSASIEDQSA-N 0 0 198.287 1.688 10 0 ADAERN CSc1c(N)cc(C)cc1N 141399612 572480661 /nfs/dbraw/zinc/48/06/61/572480661.db2.gz TWGYVIWKRAAMMV-UHFFFAOYSA-N 0 0 168.265 1.881 10 0 ADAERN CCC[C@@H](OCC)[C@H](O)C(C)=O 238263086 572480664 /nfs/dbraw/zinc/48/06/64/572480664.db2.gz IVXKWDFLZSCIGK-RKDXNWHRSA-N 0 0 174.240 1.142 10 0 ADAERN CC(C)c1cc(-c2nc(N)no2)no1 74247034 572480669 /nfs/dbraw/zinc/48/06/69/572480669.db2.gz GALBMMWRAVOJBM-UHFFFAOYSA-N 0 0 194.194 1.430 10 0 ADAERN Nc1c[nH]c(=S)nc1-c1cnco1 74246874 572480674 /nfs/dbraw/zinc/48/06/74/572480674.db2.gz URDGJVXERDXADI-UHFFFAOYSA-N 0 0 194.219 1.376 10 0 ADAERN CCC[C@H](/C=C/CO)OC(C)=O 238262535 572480720 /nfs/dbraw/zinc/48/07/20/572480720.db2.gz HABQBUKHSLQSOC-OTQAPUNGSA-N 0 0 172.224 1.267 10 0 ADAERN CCC[C@@H](O)/C=C1/OC(=O)C=C1OC 238261541 572482891 /nfs/dbraw/zinc/48/28/91/572482891.db2.gz CHRODHDWKGRDDG-AJQDLKILSA-N 0 0 198.218 1.118 10 0 ADAERN CONC(=O)[C@H](C)Cc1ccccc1 62141532 572480802 /nfs/dbraw/zinc/48/08/02/572480802.db2.gz UNMJLJPSLJKFQQ-SECBINFHSA-N 0 0 193.246 1.543 10 0 ADAERN CCC[C@@H]1C[C@]1(O)CCCOC 87438611 572480835 /nfs/dbraw/zinc/48/08/35/572480835.db2.gz YADQUYMTFDRYRW-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCOc1nc(C)nc(NCC)n1 84027747 572480871 /nfs/dbraw/zinc/48/08/71/572480871.db2.gz GHCNMIJWKBGVIH-UHFFFAOYSA-N 0 0 196.254 1.401 10 0 ADAERN CON[C@H](C)c1cncc(F)c1 234749185 572480894 /nfs/dbraw/zinc/48/08/94/572480894.db2.gz RQHYDMRIJDYQQS-ZCFIWIBFSA-N 0 0 170.187 1.433 10 0 ADAERN C[N@@H+]1CCC[C@]2(CC1)C[C@H]2C(=O)[O-] 250559859 572480926 /nfs/dbraw/zinc/48/09/26/572480926.db2.gz CDJJNUOXLBUWCR-WPRPVWTQSA-N 0 0 183.251 1.193 10 0 ADAERN C[C@H]1C[C@@H](c2n[nH]cc2C=O)CCO1 74246800 572480959 /nfs/dbraw/zinc/48/09/59/572480959.db2.gz XQXIASGTRTZESN-YUMQZZPRSA-N 0 0 194.234 1.505 10 0 ADAERN C/C(=C\N(C)C)C(=O)C1CC1 33841225 572481055 /nfs/dbraw/zinc/48/10/55/572481055.db2.gz VGCIYYFFWGMTEE-VOTSOKGWSA-N 0 0 153.225 1.431 10 0 ADAERN Cc1oc2c(c1C)C(=O)C[C@@H](CO)C2 74246854 572481056 /nfs/dbraw/zinc/48/10/56/572481056.db2.gz NSZAXDMIKXJPPJ-MRVPVSSYSA-N 0 0 194.230 1.634 10 0 ADAERN CCOC(=O)[C@@H](O)CC(C)(C)CC 713257790 572481102 /nfs/dbraw/zinc/48/11/02/572481102.db2.gz JWTRIYPDJYOFST-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN Cc1nc(C)c(-c2n[nH]cc2N)s1 74246287 572481153 /nfs/dbraw/zinc/48/11/53/572481153.db2.gz HGXXHFFYDNKHLH-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN C[N@@H+]1CC[C@H]1[C@H](CCC(=O)[O-])C1CC1 250629050 572481165 /nfs/dbraw/zinc/48/11/65/572481165.db2.gz QSIFSFDBCIKEGA-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN Cn1ccnc1-c1nccnc1Cl 84026052 572481182 /nfs/dbraw/zinc/48/11/82/572481182.db2.gz GXMNXWQDIMJDCR-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CCc1nc(-c2cn[nH]c2)c(N)s1 74246279 572481193 /nfs/dbraw/zinc/48/11/93/572481193.db2.gz SYJRWDAXHVIGKK-UHFFFAOYSA-N 0 0 194.263 1.678 10 0 ADAERN CCOCCC[C@@]1(O)C[C@@H]1C 87438573 572481209 /nfs/dbraw/zinc/48/12/09/572481209.db2.gz BEPHYJCUZBKALS-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CCCn1c(C=O)c(C2CC2)[nH]c1=O 74246761 572481228 /nfs/dbraw/zinc/48/12/28/572481228.db2.gz NTQMXVBXYKNNLO-UHFFFAOYSA-N 0 0 194.234 1.276 10 0 ADAERN C[N@@H+]1CC[C@@H]1[C@@H](C(=O)[O-])C1CCC1 250575215 572481238 /nfs/dbraw/zinc/48/12/38/572481238.db2.gz FHVRIBBPFAGJGU-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN CCOCCC[C@@]1(O)C[C@H]1C 87438577 572481241 /nfs/dbraw/zinc/48/12/41/572481241.db2.gz BEPHYJCUZBKALS-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1nc(-c2nc(C=O)c[nH]2)ns1 74246872 572481262 /nfs/dbraw/zinc/48/12/62/572481262.db2.gz BZKUAUWWPILGAA-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN C[N@@H+]1CC[C@@H]1[C@H](CCC(=O)[O-])C1CC1 250629048 572481291 /nfs/dbraw/zinc/48/12/91/572481291.db2.gz QSIFSFDBCIKEGA-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1nc(CNOC2CCCC2)no1 235936864 572481295 /nfs/dbraw/zinc/48/12/95/572481295.db2.gz WSJONYBIYGRSJV-UHFFFAOYSA-N 0 0 197.238 1.342 10 0 ADAERN CCOC(=O)[C@H](O)CC(C)(C)CC 713257786 572481471 /nfs/dbraw/zinc/48/14/71/572481471.db2.gz JWTRIYPDJYOFST-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN C[C@H]1C[C@H](c2n[nH]cc2C=O)CCO1 74246798 572481507 /nfs/dbraw/zinc/48/15/07/572481507.db2.gz XQXIASGTRTZESN-JGVFFNPUSA-N 0 0 194.234 1.505 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@H](C(=O)[O-])C[C@H]2C1 250563834 572481535 /nfs/dbraw/zinc/48/15/35/572481535.db2.gz CYCUESRVRZOVRP-UTLUCORTSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)[C@@]([NH3+])(C(=O)[O-])C1CCC1 114454027 572481544 /nfs/dbraw/zinc/48/15/44/572481544.db2.gz QNIGJRKKXKPWJH-VIFPVBQESA-N 0 0 171.240 1.225 10 0 ADAERN CCOCCC[C@]1(O)C[C@H]1CC 87438600 572481547 /nfs/dbraw/zinc/48/15/47/572481547.db2.gz VTYOSQINBREPNN-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN C[N@@H+]1CCC[C@]2(C[C@H]2CC(=O)[O-])C1 250563167 572481551 /nfs/dbraw/zinc/48/15/51/572481551.db2.gz CVPSDGSFWJKNLG-SCZZXKLOSA-N 0 0 183.251 1.193 10 0 ADAERN Cc1nc(-n2nccc2C)sc1N 74246310 572481584 /nfs/dbraw/zinc/48/15/84/572481584.db2.gz DFSCTTIADMYMJB-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN CC[C@@H](CCCCO)OC(C)=O 238261811 572481587 /nfs/dbraw/zinc/48/15/87/572481587.db2.gz BHWJIWKQKXNPNR-VIFPVBQESA-N 0 0 174.240 1.491 10 0 ADAERN CCC[C@H](O)[C@@H](CCC)[C@@H](C)O 238263436 572481599 /nfs/dbraw/zinc/48/15/99/572481599.db2.gz JZGNTHGLFLEVNI-UTLUCORTSA-N 0 0 174.284 1.945 10 0 ADAERN CCC[C@H](O)[C@@H]1COC[C@@H]1CC 238263963 572481608 /nfs/dbraw/zinc/48/16/08/572481608.db2.gz LYNHVCAAEDGVOH-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN O[C@H]1CCc2c(oc3c2COCC3)C1 74246847 572481630 /nfs/dbraw/zinc/48/16/30/572481630.db2.gz QGHIWSXKIMNJBF-ZETCQYMHSA-N 0 0 194.230 1.202 10 0 ADAERN CC[C@H](N)c1nnc(CCCOC)o1 87438474 572481638 /nfs/dbraw/zinc/48/16/38/572481638.db2.gz AOTKRYGEZWDRDB-ZETCQYMHSA-N 0 0 199.254 1.058 10 0 ADAERN C[C@H](CC1CCC1)[C@H]([NH3+])C(=O)[O-] 114454025 572481698 /nfs/dbraw/zinc/48/16/98/572481698.db2.gz QONVMZZCLUHGSU-SVRRBLITSA-N 0 0 171.240 1.225 10 0 ADAERN CCOCCC[C@]1(O)C[C@H]1C 87438575 572481732 /nfs/dbraw/zinc/48/17/32/572481732.db2.gz BEPHYJCUZBKALS-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CCOCCCc1cnc([C@H](C)N)o1 87439024 572484279 /nfs/dbraw/zinc/48/42/79/572484279.db2.gz OTDGMXSMCKKXDO-QMMMGPOBSA-N 0 0 198.266 1.663 10 0 ADAERN CCOCCCc1nc(N)ns1 87438964 572483087 /nfs/dbraw/zinc/48/30/87/572483087.db2.gz GEVDHWXSVQNMLO-UHFFFAOYSA-N 0 0 187.268 1.089 10 0 ADAERN CCC[C@H](O)[C@@H](CCC)NC(C)=O 238263420 572481823 /nfs/dbraw/zinc/48/18/23/572481823.db2.gz GSSLGEFZVAFRLV-ZJUUUORDSA-N 0 0 187.283 1.452 10 0 ADAERN C[C@@H]1C[C@@H](c2n[nH]cc2C=O)CCO1 74246799 572481865 /nfs/dbraw/zinc/48/18/65/572481865.db2.gz XQXIASGTRTZESN-SFYZADRCSA-N 0 0 194.234 1.505 10 0 ADAERN NC(=O)c1cccc2c1CCCO2 141347123 572481872 /nfs/dbraw/zinc/48/18/72/572481872.db2.gz KZGWWOCYVZVDPN-UHFFFAOYSA-N 0 0 177.203 1.111 10 0 ADAERN Cc1nn(C)cc1-c1cc(N)sn1 74246289 572481876 /nfs/dbraw/zinc/48/18/76/572481876.db2.gz VEAHLNSBOPNGIE-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC[C@@H](c1ccccc1)N(O)C(N)=O 74246718 572483201 /nfs/dbraw/zinc/48/32/01/572483201.db2.gz FUWZLSDJONNDLX-VIFPVBQESA-N 0 0 194.234 1.908 10 0 ADAERN OCCc1cc(-c2ccccc2)on1 141357773 572481886 /nfs/dbraw/zinc/48/18/86/572481886.db2.gz XYYOYNWMSITZDR-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN Cc1c(N)nnc(C2CC2)c1C 84026506 572481900 /nfs/dbraw/zinc/48/19/00/572481900.db2.gz MZTFGAGDFZUNSB-UHFFFAOYSA-N 0 0 163.224 1.553 10 0 ADAERN CC[C@@H]1C[C@@]1(O)CCCOC 87438592 572481921 /nfs/dbraw/zinc/48/19/21/572481921.db2.gz DLJGZNNDSMGCOW-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@H](CCC(C)(C)C)[C@@H]([NH3+])C(=O)[O-] 114455142 572481934 /nfs/dbraw/zinc/48/19/34/572481934.db2.gz FCAPVAFHUOZOCZ-HTQZYQBOSA-N 0 0 187.283 1.861 10 0 ADAERN CNc1ccc2c(c1N)OCCO2 141304663 572481943 /nfs/dbraw/zinc/48/19/43/572481943.db2.gz AZXVESHKTUEWHI-UHFFFAOYSA-N 0 0 180.207 1.082 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1CC1CC1 250568082 572481976 /nfs/dbraw/zinc/48/19/76/572481976.db2.gz DMWWUZWKRRJXDV-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H](CC1CCC1)[C@@H]([NH3+])C(=O)[O-] 114454022 572482030 /nfs/dbraw/zinc/48/20/30/572482030.db2.gz QONVMZZCLUHGSU-HTRCEHHLSA-N 0 0 171.240 1.225 10 0 ADAERN CCO[C@@H]1CCC[C@@H]([C@@H](C)CO)O1 238263888 572482032 /nfs/dbraw/zinc/48/20/32/572482032.db2.gz LMVRMCPHWHDLSD-GUBZILKMSA-N 0 0 188.267 1.547 10 0 ADAERN [NH3+]C[C@@](F)(Cc1ccoc1)C1CC1 158406535 572482049 /nfs/dbraw/zinc/48/20/49/572482049.db2.gz UWAWZBIQMMHNHG-JTQLQIEISA-N 0 0 183.226 1.899 10 0 ADAERN Cc1cc(N)c(C)c2c1OCCO2 141320114 572482059 /nfs/dbraw/zinc/48/20/59/572482059.db2.gz MHRPFRHBQLIOEP-UHFFFAOYSA-N 0 0 179.219 1.657 10 0 ADAERN CCC[C@H](CC)C[C@@H]([NH3+])C(=O)[O-] 238263954 572482106 /nfs/dbraw/zinc/48/21/06/572482106.db2.gz XMKMIJXKFDFAEW-JGVFFNPUSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H]1C[C@@H](c2cc(C=O)n[nH]2)CCO1 74246793 572482163 /nfs/dbraw/zinc/48/21/63/572482163.db2.gz DUKZPYRNQDFCMM-SFYZADRCSA-N 0 0 194.234 1.505 10 0 ADAERN COC(=O)c1ccc2c(c1)C(=O)OC2 141369631 572482167 /nfs/dbraw/zinc/48/21/67/572482167.db2.gz RDFLAWIVTOBPHA-UHFFFAOYSA-N 0 0 192.170 1.144 10 0 ADAERN Cc1cn(C)c(-c2ncsc2N)n1 74246277 572482169 /nfs/dbraw/zinc/48/21/69/572482169.db2.gz ASBWSPDZMLASCX-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCP(=O)(C[C@@H](C)O)C[C@@H](C)O 238261629 572482175 /nfs/dbraw/zinc/48/21/75/572482175.db2.gz MQHPUGYQUYYRLD-HTQZYQBOSA-N 0 0 194.211 1.131 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CC(C)(C)C[C@@H]1C 234453648 572482181 /nfs/dbraw/zinc/48/21/81/572482181.db2.gz MVAPHQCIHMMXNY-KWQFWETISA-N 0 0 199.294 1.875 10 0 ADAERN O=Cc1c[nH]c(=O)n1C1CCCCC1 74246758 572482200 /nfs/dbraw/zinc/48/22/00/572482200.db2.gz QHEMPMACAQCQDM-UHFFFAOYSA-N 0 0 194.234 1.494 10 0 ADAERN Cc1cccc(C(=O)[C@@H](C)CO)c1 141326814 572482222 /nfs/dbraw/zinc/48/22/22/572482222.db2.gz LMCPNRTYFLAWHN-VIFPVBQESA-N 0 0 178.231 1.806 10 0 ADAERN O=C1OCC[C@H]1Cc1ccccc1O 141348484 572482246 /nfs/dbraw/zinc/48/22/46/572482246.db2.gz PKHQAHNQOCQQIM-VIFPVBQESA-N 0 0 192.214 1.498 10 0 ADAERN CC[C@@H](C)[C@@H](C)CC(=O)NC(N)=O 238263876 572482267 /nfs/dbraw/zinc/48/22/67/572482267.db2.gz HDHDIRPMRLVMMP-RQJHMYQMSA-N 0 0 186.255 1.254 10 0 ADAERN Cc1nc(-c2cn(N)cn2)sc1C 74246305 572482270 /nfs/dbraw/zinc/48/22/70/572482270.db2.gz QPSIMKDOUCJKJW-UHFFFAOYSA-N 0 0 194.263 1.337 10 0 ADAERN Cc1[nH]nc(-c2ncccn2)c1Cl 141477073 572482280 /nfs/dbraw/zinc/48/22/80/572482280.db2.gz MWWHLFCQZXBKRA-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN CCC(=O)Cc1nc(C)nc(C)n1 141304671 572482298 /nfs/dbraw/zinc/48/22/98/572482298.db2.gz YANLKWWBRGYEQM-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN CC(C)c1noc2c(N)c[nH]c12 250564545 572482313 /nfs/dbraw/zinc/48/23/13/572482313.db2.gz BLPQJXJBUBBWFR-UHFFFAOYSA-N 0 0 165.196 1.862 10 0 ADAERN CCC[C@H](O)CC(=O)c1ccccn1 238261590 572482315 /nfs/dbraw/zinc/48/23/15/572482315.db2.gz RXJWIZNOWSNNTF-VIFPVBQESA-N 0 0 193.246 1.815 10 0 ADAERN Cc1nc(-n2cnc(N)c2)sc1C 74246285 572482327 /nfs/dbraw/zinc/48/23/27/572482327.db2.gz SWKQBUCTGMAHCZ-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN Cc1cn(C)nc1-c1cc(N)sn1 74246290 572482353 /nfs/dbraw/zinc/48/23/53/572482353.db2.gz ACNDAZGVCNILMM-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCC[C@H](C(N)=O)[C@@H](CC)OC 238263835 572482376 /nfs/dbraw/zinc/48/23/76/572482376.db2.gz GIAYUQBEUDCNHH-JGVFFNPUSA-N 0 0 173.256 1.313 10 0 ADAERN C[N@@H+]1CC[C@H]1[C@@H](C(=O)[O-])C1CCCC1 250562704 572482409 /nfs/dbraw/zinc/48/24/09/572482409.db2.gz CUDBQMRBBFUNQG-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CCCCn1nc2[nH]cccc-2c1=O 141333082 572482410 /nfs/dbraw/zinc/48/24/10/572482410.db2.gz JJDDBUTYKQRYPI-UHFFFAOYSA-N 0 0 191.234 1.525 10 0 ADAERN C[C@@H]1C[C@H](c2cc(C=O)n[nH]2)CCO1 74246791 572482422 /nfs/dbraw/zinc/48/24/22/572482422.db2.gz DUKZPYRNQDFCMM-HTQZYQBOSA-N 0 0 194.234 1.505 10 0 ADAERN CC[C@@H]1CCO[C@H]1COC(C)=O 238263642 572482446 /nfs/dbraw/zinc/48/24/46/572482446.db2.gz KWTCJBWDZQQFAT-BDAKNGLRSA-N 0 0 172.224 1.365 10 0 ADAERN O[C@@H]1CCc2c(oc3c2COCC3)C1 74246848 572482450 /nfs/dbraw/zinc/48/24/50/572482450.db2.gz QGHIWSXKIMNJBF-SSDOTTSWSA-N 0 0 194.230 1.202 10 0 ADAERN Cc1ncc(-c2cc(C=O)sn2)o1 74246907 572484672 /nfs/dbraw/zinc/48/46/72/572484672.db2.gz DQEURKZJNJEZBM-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN Cc1cc(-c2cc(N)sn2)nn1C 74246291 572482524 /nfs/dbraw/zinc/48/25/24/572482524.db2.gz SBZANMBFRDDOEZ-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN COc1cccc2oc([C@H](C)O)nc12 141358386 572482570 /nfs/dbraw/zinc/48/25/70/572482570.db2.gz TTWQNTPCJXMFAN-LURJTMIESA-N 0 0 193.202 1.890 10 0 ADAERN COc1cc2c(c(N)c1OC)NCC2 74246769 572482574 /nfs/dbraw/zinc/48/25/74/572482574.db2.gz KEKKKURMFNFJEQ-UHFFFAOYSA-N 0 0 194.234 1.254 10 0 ADAERN CCC[C@H](O)CC(=O)C1CC1 238261480 572482577 /nfs/dbraw/zinc/48/25/77/572482577.db2.gz AWXKEWPQPLMVLG-QMMMGPOBSA-N 0 0 156.225 1.517 10 0 ADAERN Cc1cnc(C=O)n1C[C@H]1CCCO1 74246730 572482616 /nfs/dbraw/zinc/48/26/16/572482616.db2.gz RTRGNLBIUVAUFS-SECBINFHSA-N 0 0 194.234 1.183 10 0 ADAERN CC[C@@H](CCCCO)C(=O)OC 238261685 572482646 /nfs/dbraw/zinc/48/26/46/572482646.db2.gz VJQRLTGXOZNUAX-QMMMGPOBSA-N 0 0 174.240 1.348 10 0 ADAERN CCC[C@H]1C[C@]1(O)CCCOC 87438613 572482648 /nfs/dbraw/zinc/48/26/48/572482648.db2.gz YADQUYMTFDRYRW-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1nc(-c2ncsc2N)cn1C 74246276 572482653 /nfs/dbraw/zinc/48/26/53/572482653.db2.gz ONNYFBLYGFYPFQ-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCOCCC[C@]1(O)C[C@@H]1CC 87438602 572482682 /nfs/dbraw/zinc/48/26/82/572482682.db2.gz VTYOSQINBREPNN-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN C[N@@H+]1CCC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 250577336 572482686 /nfs/dbraw/zinc/48/26/86/572482686.db2.gz FNRZWKZXQMJAMQ-GUBZILKMSA-N 0 0 197.278 1.582 10 0 ADAERN CCOc1cc(C=O)c(N)cc1OC 238263671 572482696 /nfs/dbraw/zinc/48/26/96/572482696.db2.gz UGFQSZCKNQTIGX-UHFFFAOYSA-N 0 0 195.218 1.489 10 0 ADAERN CCN(CC)c1cccc(OC)n1 238263328 572482726 /nfs/dbraw/zinc/48/27/26/572482726.db2.gz AYCWNPCSBRJTFO-UHFFFAOYSA-N 0 0 180.251 1.936 10 0 ADAERN CCCOc1nc(C)nc(Cl)n1 84025425 572483233 /nfs/dbraw/zinc/48/32/33/572483233.db2.gz GJVYHDKMZBGMQL-UHFFFAOYSA-N 0 0 187.630 1.622 10 0 ADAERN Cc1cc(C)n(-c2cnc(N)s2)n1 74246312 572482804 /nfs/dbraw/zinc/48/28/04/572482804.db2.gz PJCHESXDARRSRW-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN CCOC(=O)CCC/C=C/C=C/CO 238263940 572482905 /nfs/dbraw/zinc/48/29/05/572482905.db2.gz IXTJAOFNAFMGRI-PBOULFJWSA-N 0 0 198.262 1.825 10 0 ADAERN CCOCCCc1cnc([C@@H](C)N)o1 87439022 572482916 /nfs/dbraw/zinc/48/29/16/572482916.db2.gz OTDGMXSMCKKXDO-MRVPVSSYSA-N 0 0 198.266 1.663 10 0 ADAERN CC[C@@H]1C[C@@]1(O)C[C@@H](C)COC 87438583 572482936 /nfs/dbraw/zinc/48/29/36/572482936.db2.gz RBLSXYQYLJBTCW-BBBLOLIVSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc(-c2nc(C)sc2N)n[nH]1 74246280 572482982 /nfs/dbraw/zinc/48/29/82/572482982.db2.gz NTEIYEMRXUCMAX-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN C[N@@H+]1CC[C@@H]1[C@@H](C(=O)[O-])C1CCCC1 250563036 572482984 /nfs/dbraw/zinc/48/29/84/572482984.db2.gz CUDBQMRBBFUNQG-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN C[NH2+]Cc1c(CC(C)C)[n-]n(C)c1=O 250572640 572483032 /nfs/dbraw/zinc/48/30/32/572483032.db2.gz QDTARDZHHYYLIW-UHFFFAOYSA-N 0 0 197.282 1.044 10 0 ADAERN CC(C)Cn1nc2[nH]cccc-2c1=O 141332895 572483040 /nfs/dbraw/zinc/48/30/40/572483040.db2.gz HOUJJBOOYPEPIX-UHFFFAOYSA-N 0 0 191.234 1.381 10 0 ADAERN CCCn1cc([C@H](O)COCC)cn1 84063027 572485109 /nfs/dbraw/zinc/48/51/09/572485109.db2.gz XWWRKRZPYORCCK-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN CCP(=O)(C[C@H](C)O)C[C@H](C)O 238261653 572483076 /nfs/dbraw/zinc/48/30/76/572483076.db2.gz MQHPUGYQUYYRLD-YUMQZZPRSA-N 0 0 194.211 1.131 10 0 ADAERN Cc1nsc(-c2nc(C=O)c[nH]2)n1 74246873 572483094 /nfs/dbraw/zinc/48/30/94/572483094.db2.gz DBQIENOVBUOIDS-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN CC(C)CSN(C)C(N)=O 141318462 572483122 /nfs/dbraw/zinc/48/31/22/572483122.db2.gz QATVEPXFSVSSFK-UHFFFAOYSA-N 0 0 162.258 1.301 10 0 ADAERN Cc1nc(CNCc2ccoc2)no1 235935700 572483152 /nfs/dbraw/zinc/48/31/52/572483152.db2.gz JAJYPLMDRJRZBW-UHFFFAOYSA-N 0 0 193.206 1.261 10 0 ADAERN CCCc1nnc(=O)[nH]c1CCC 308041204 572483174 /nfs/dbraw/zinc/48/31/74/572483174.db2.gz AGSMVSCIUIZBHQ-ALCCZGGFSA-N 0 0 181.239 1.749 10 0 ADAERN C[C@@H](CC1CCCC1)[C@@H]([NH3+])C(=O)[O-] 114457540 572483399 /nfs/dbraw/zinc/48/33/99/572483399.db2.gz GHHMAOXYAKAEOM-IONNQARKSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1cnc(-n2cc(N)nc2C)s1 74246286 572483400 /nfs/dbraw/zinc/48/34/00/572483400.db2.gz STKIEJHHKWPWDB-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN CC(C)(C)c1nc2n(c1C=O)CCO2 74246790 572483372 /nfs/dbraw/zinc/48/33/72/572483372.db2.gz JCVIXPAHFQMNHU-UHFFFAOYSA-N 0 0 194.234 1.386 10 0 ADAERN Nc1ncccc1Nc1ccccn1 141301334 572483374 /nfs/dbraw/zinc/48/33/74/572483374.db2.gz QGYUSDBOJKRJCW-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Cc1ccc2c(c1)NCCN2CCO 76926705 572483389 /nfs/dbraw/zinc/48/33/89/572483389.db2.gz LTSWQAIQFWMROY-UHFFFAOYSA-N 0 0 192.262 1.219 10 0 ADAERN Cc1c(-c2sncc2N)cnn1C 74246270 572483437 /nfs/dbraw/zinc/48/34/37/572483437.db2.gz WRLRSIZPZLWRKS-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN O=C1Oc2ccccc2C[C@@H]1CCO 141349977 572483483 /nfs/dbraw/zinc/48/34/83/572483483.db2.gz NVFRSAMIILTJHJ-VIFPVBQESA-N 0 0 192.214 1.147 10 0 ADAERN CCOc1nc(N)cc(SCC)n1 238263508 572483451 /nfs/dbraw/zinc/48/34/51/572483451.db2.gz LQLCZVIJUDCVQU-UHFFFAOYSA-N 0 0 199.279 1.570 10 0 ADAERN CN1C(=O)NC(C)(C)C1(C)C 141338295 572483457 /nfs/dbraw/zinc/48/34/57/572483457.db2.gz UZIRTVIUMMQERW-UHFFFAOYSA-N 0 0 156.229 1.199 10 0 ADAERN CCCCc1ccc(CO)cn1 238263555 572483470 /nfs/dbraw/zinc/48/34/70/572483470.db2.gz YJOFWRGAMQESAP-UHFFFAOYSA-N 0 0 165.236 1.917 10 0 ADAERN Cc1oc2c(c1C)C(=O)C[C@H](CO)C2 74246853 572483510 /nfs/dbraw/zinc/48/35/10/572483510.db2.gz NSZAXDMIKXJPPJ-QMMMGPOBSA-N 0 0 194.230 1.634 10 0 ADAERN Cc1c(-c2cc(N)sn2)cnn1C 74246292 572483638 /nfs/dbraw/zinc/48/36/38/572483638.db2.gz BBMHGXQXBKPPFF-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCN(CCc1ccc[nH]1)C(C)=O 238261576 572483673 /nfs/dbraw/zinc/48/36/73/572483673.db2.gz YIEZUFGJRQZOEP-UHFFFAOYSA-N 0 0 180.251 1.426 10 0 ADAERN NSC(=S)NNc1ccccc1 33939232 572483586 /nfs/dbraw/zinc/48/35/86/572483586.db2.gz FTERJWUXQLXNIL-UHFFFAOYSA-N 0 0 199.304 1.495 10 0 ADAERN CC[C@@H](CCCCCO)OC(C)=O 238261615 572483683 /nfs/dbraw/zinc/48/36/83/572483683.db2.gz CCPVZLUKTQAQOG-JTQLQIEISA-N 0 0 188.267 1.881 10 0 ADAERN CC(C)[C@@H](C)[C@@H]1COC(=O)C1 141342311 572483691 /nfs/dbraw/zinc/48/36/91/572483691.db2.gz KJMKPUVCLLUEQO-SFYZADRCSA-N 0 0 156.225 1.842 10 0 ADAERN CO[C@@H](C)CNc1cc(N)ns1 234749870 572483696 /nfs/dbraw/zinc/48/36/96/572483696.db2.gz JJEKPYKWILUIAH-YFKPBYRVSA-N 0 0 187.268 1.172 10 0 ADAERN CN(C#N)Cc1ccns1 404433330 572483715 /nfs/dbraw/zinc/48/37/15/572483715.db2.gz CNHQRPTYATXOLH-UHFFFAOYSA-N 0 0 153.210 1.056 10 0 ADAERN C[N@@H+]1CCC[C@@]2(C[C@H]2CC(=O)[O-])C1 250563164 572483813 /nfs/dbraw/zinc/48/38/13/572483813.db2.gz CVPSDGSFWJKNLG-PSASIEDQSA-N 0 0 183.251 1.193 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)CCCOC 87438615 572483835 /nfs/dbraw/zinc/48/38/35/572483835.db2.gz YADQUYMTFDRYRW-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cc(-c2sncc2N)nn1C 74246273 572483838 /nfs/dbraw/zinc/48/38/38/572483838.db2.gz GJEQNUQNWDCRPR-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN C[C@@]12CCC=C[C@]1(O)CC[C@H]2O 141353048 572483873 /nfs/dbraw/zinc/48/38/73/572483873.db2.gz GMALDRARHZLKHD-UTLUCORTSA-N 0 0 168.236 1.229 10 0 ADAERN CC(C)c1n[nH]c2c1C(=O)C[C@@H](O)C2 74246643 572483887 /nfs/dbraw/zinc/48/38/87/572483887.db2.gz AUGANBLJZMHZON-LURJTMIESA-N 0 0 194.234 1.023 10 0 ADAERN CC[C@@H]1C[C@]1(O)CCCOC 87438588 572483900 /nfs/dbraw/zinc/48/39/00/572483900.db2.gz DLJGZNNDSMGCOW-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CCOc1cc(C)nc(OCC)c1N 238263494 572483901 /nfs/dbraw/zinc/48/39/01/572483901.db2.gz QZBNNRXMFRBYCD-UHFFFAOYSA-N 0 0 196.250 1.770 10 0 ADAERN CCC[C@H](CC)C(=O)C(=O)OC 238263748 572483922 /nfs/dbraw/zinc/48/39/22/572483922.db2.gz RUUPHLNEPGLEEF-ZETCQYMHSA-N 0 0 172.224 1.555 10 0 ADAERN Nc1c[nH]c(=S)nc1-c1ncco1 74246875 572483928 /nfs/dbraw/zinc/48/39/28/572483928.db2.gz UNWBFYLGAXQCPE-UHFFFAOYSA-N 0 0 194.219 1.376 10 0 ADAERN Cc1[nH]nc(-c2ncsc2N)c1C 74246281 572483934 /nfs/dbraw/zinc/48/39/34/572483934.db2.gz GLJJWZHATPGXKT-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN CON[C@H]1CCCc2ccc(O)cc21 234749997 572483938 /nfs/dbraw/zinc/48/39/38/572483938.db2.gz MVAYLTXOBUICRC-NSHDSACASA-N 0 0 193.246 1.921 10 0 ADAERN Cc1nc([C@@H](CC(C)(C)C)NN)co1 713258412 572483959 /nfs/dbraw/zinc/48/39/59/572483959.db2.gz VAFHCOWKTPNGFR-MRVPVSSYSA-N 0 0 197.282 1.924 10 0 ADAERN CCO[C@H](c1ccccc1O)[C@@H](C)O 238261525 572483964 /nfs/dbraw/zinc/48/39/64/572483964.db2.gz AQBABRRGDIIMOV-KCJUWKMLSA-N 0 0 196.246 1.851 10 0 ADAERN Cc1cccn(COCC2CC2)c1=O 235934665 572483976 /nfs/dbraw/zinc/48/39/76/572483976.db2.gz KOHIHIPXDQLDPT-UHFFFAOYSA-N 0 0 193.246 1.541 10 0 ADAERN CCC[C@]1(CC(C)C)C(=O)CNC1=O 238261633 572483978 /nfs/dbraw/zinc/48/39/78/572483978.db2.gz SMABOOFWYFTUBO-NSHDSACASA-N 0 0 197.278 1.518 10 0 ADAERN CCOc1cnc(SCC)nc1N 238261750 572483987 /nfs/dbraw/zinc/48/39/87/572483987.db2.gz PWTYOKYOVLALKO-UHFFFAOYSA-N 0 0 199.279 1.570 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CC(C)(C)C[C@H]1C 234453686 572483989 /nfs/dbraw/zinc/48/39/89/572483989.db2.gz MVAPHQCIHMMXNY-KCJUWKMLSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cc(Cl)cc2c1C(=O)C(=O)N2 141370051 572483999 /nfs/dbraw/zinc/48/39/99/572483999.db2.gz AWMGEBJAIADKNE-UHFFFAOYSA-N 0 0 195.605 1.783 10 0 ADAERN Cc1c(F)ccc2cnc(N)nc12 141333623 572484006 /nfs/dbraw/zinc/48/40/06/572484006.db2.gz ICJLSRBRVZIVEH-UHFFFAOYSA-N 0 0 177.182 1.660 10 0 ADAERN Cc1cccc(C(=O)[C@H](C)CO)c1 141327022 572484009 /nfs/dbraw/zinc/48/40/09/572484009.db2.gz LMCPNRTYFLAWHN-SECBINFHSA-N 0 0 178.231 1.806 10 0 ADAERN CC1=C[C@H]2NC(C)=CC(=O)N2C=C1 44787347 572484017 /nfs/dbraw/zinc/48/40/17/572484017.db2.gz KLYNACAFHFSFKZ-VIFPVBQESA-N 0 0 176.219 1.122 10 0 ADAERN CCOC[C@H](O)Cc1ccccc1C 84063307 572485988 /nfs/dbraw/zinc/48/59/88/572485988.db2.gz QVOAXVBDRFIQDC-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN CCC[C@H](O)[C@@](C)(OC)[C@@H](O)CC 238264134 572484078 /nfs/dbraw/zinc/48/40/78/572484078.db2.gz TUSRYCFQVJRALO-GUBZILKMSA-N 0 0 190.283 1.323 10 0 ADAERN CC[C@@H](C)C[C@H]1CNC(=O)C1 141302707 572484091 /nfs/dbraw/zinc/48/40/91/572484091.db2.gz ZOGJJDWSKGKGIC-HTQZYQBOSA-N 0 0 155.241 1.559 10 0 ADAERN C[C@H]1CC[C@@H](OCCO)CC1 141363426 572484116 /nfs/dbraw/zinc/48/41/16/572484116.db2.gz JNHPAEUNRQLOLE-KYZUINATSA-N 0 0 158.241 1.574 10 0 ADAERN O=C1Oc2ccccc2C[C@H]1CCO 141350169 572484151 /nfs/dbraw/zinc/48/41/51/572484151.db2.gz NVFRSAMIILTJHJ-SECBINFHSA-N 0 0 192.214 1.147 10 0 ADAERN O=c1[nH]cnc2nc3cc[nH]cc-3c12 141308246 572484174 /nfs/dbraw/zinc/48/41/74/572484174.db2.gz BAJXYDLTYSCAOF-UHFFFAOYSA-N 0 0 186.174 1.212 10 0 ADAERN COCN1C[C@H](C)Nc2ccccc21 76927183 572484177 /nfs/dbraw/zinc/48/41/77/572484177.db2.gz FESPJPONTPJLQU-VIFPVBQESA-N 0 0 192.262 1.911 10 0 ADAERN COCN1C[C@@H](C)Nc2ccccc21 76927182 572484186 /nfs/dbraw/zinc/48/41/86/572484186.db2.gz FESPJPONTPJLQU-SECBINFHSA-N 0 0 192.262 1.911 10 0 ADAERN Cc1nnsc1-c1cc(C=O)n[nH]1 74246881 572484254 /nfs/dbraw/zinc/48/42/54/572484254.db2.gz DPFMGLSLUCNQTR-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN CC[C@@H]1CCO[C@@H]1COC(C)=O 238263614 572484256 /nfs/dbraw/zinc/48/42/56/572484256.db2.gz KWTCJBWDZQQFAT-RKDXNWHRSA-N 0 0 172.224 1.365 10 0 ADAERN CCO[C@H](c1ccccc1O)[C@H](C)O 238261728 572484268 /nfs/dbraw/zinc/48/42/68/572484268.db2.gz AQBABRRGDIIMOV-KWQFWETISA-N 0 0 196.246 1.851 10 0 ADAERN CCC[C@H](O)[C@@H](O)c1ccccc1O 238263830 572484319 /nfs/dbraw/zinc/48/43/19/572484319.db2.gz FIBUOZGKIYUHJV-QWRGUYRKSA-N 0 0 196.246 1.587 10 0 ADAERN Nc1nnc(NC2CCCCC2)s1 141365280 572484342 /nfs/dbraw/zinc/48/43/42/572484342.db2.gz XOSBGZCMZGTLHJ-UHFFFAOYSA-N 0 0 198.295 1.865 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 250631951 572484348 /nfs/dbraw/zinc/48/43/48/572484348.db2.gz RIQFNPXJQQIFEU-XHNCKOQMSA-N 0 0 183.251 1.191 10 0 ADAERN CCC[C@H](C(=O)OC(C)C)[C@@H](C)O 238263797 572484355 /nfs/dbraw/zinc/48/43/55/572484355.db2.gz KZKVMHZKNLZAHF-BDAKNGLRSA-N 0 0 188.267 1.735 10 0 ADAERN CCOCC(=O)Cc1cccs1 84062972 572484366 /nfs/dbraw/zinc/48/43/66/572484366.db2.gz WTQNZJSTOVSGIT-UHFFFAOYSA-N 0 0 184.260 1.896 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]2CCC[C@H]21 250587445 572484377 /nfs/dbraw/zinc/48/43/77/572484377.db2.gz GUUUTBMJWIIBMD-IWSPIJDZSA-N 0 0 183.251 1.191 10 0 ADAERN CCCCC[C@@H](O)COCC 84063151 572484397 /nfs/dbraw/zinc/48/43/97/572484397.db2.gz QRTCCFAHTWYVAL-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CC[C@H](C)C[C@@H]1CNC(=O)C1 141302532 572484445 /nfs/dbraw/zinc/48/44/45/572484445.db2.gz ZOGJJDWSKGKGIC-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 250631949 572484460 /nfs/dbraw/zinc/48/44/60/572484460.db2.gz RIQFNPXJQQIFEU-HRDYMLBCSA-N 0 0 183.251 1.191 10 0 ADAERN CCCc1cc(=O)[nH]c(COCC)n1 84062590 572484479 /nfs/dbraw/zinc/48/44/79/572484479.db2.gz OEVCPKKHKIMFHM-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN CCOC[C@H](O)Cc1ccsc1 84063403 572484506 /nfs/dbraw/zinc/48/45/06/572484506.db2.gz MUVCJPMLZWYZPH-SECBINFHSA-N 0 0 186.276 1.688 10 0 ADAERN Cc1cn(C)c(Nc2cnn(C)c2)[nH+]1 235941516 572484516 /nfs/dbraw/zinc/48/45/16/572484516.db2.gz ULEYVIAEERXUSM-UHFFFAOYSA-N 0 0 191.238 1.206 10 0 ADAERN Cc1nc(-c2ocnc2C=O)cs1 74246891 572484522 /nfs/dbraw/zinc/48/45/22/572484522.db2.gz DBECPKXUHYQSJY-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCC[C@H](O)CC(=O)CC[NH+](C)C 238261519 572484553 /nfs/dbraw/zinc/48/45/53/572484553.db2.gz DHQNNDPRKARBQA-VIFPVBQESA-N 0 0 187.283 1.058 10 0 ADAERN Cc1ncn(COCC2CC2)c1C 235941053 572484558 /nfs/dbraw/zinc/48/45/58/572484558.db2.gz FZUCFNIJUVCQMC-UHFFFAOYSA-N 0 0 180.251 1.884 10 0 ADAERN CC/C=C\C(=O)NCC1CCC1 308041363 572484561 /nfs/dbraw/zinc/48/45/61/572484561.db2.gz NQAFSMHDQSTVFN-CLTKARDFSA-N 0 0 167.252 1.869 10 0 ADAERN CCNC(=S)OCCC(C)C 238263823 572484604 /nfs/dbraw/zinc/48/46/04/572484604.db2.gz FGJWTNNBWSFVAX-UHFFFAOYSA-N 0 0 175.297 1.944 10 0 ADAERN CCC[C@H](C(=O)OC(C)C)[C@H](C)O 238264097 572484635 /nfs/dbraw/zinc/48/46/35/572484635.db2.gz KZKVMHZKNLZAHF-IUCAKERBSA-N 0 0 188.267 1.735 10 0 ADAERN CC[NH2+]Cc1ccc(C(=O)[O-])cc1F 238263452 572484656 /nfs/dbraw/zinc/48/46/56/572484656.db2.gz OEKHAGHYWITQLI-UHFFFAOYSA-N 0 0 197.209 1.633 10 0 ADAERN CCOC[C@H](O)CC1CCCC1 84063031 572484657 /nfs/dbraw/zinc/48/46/57/572484657.db2.gz TUVXLAGUHTWZFM-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CO[C@@H]1CCCC[C@@]1(O)C1=CCCO1 234745523 572484659 /nfs/dbraw/zinc/48/46/59/572484659.db2.gz XEVHDANHSNJIRU-KOLCDFICSA-N 0 0 198.262 1.611 10 0 ADAERN O=Cc1cnc(Cc2cncs2)o1 74246897 572484667 /nfs/dbraw/zinc/48/46/67/572484667.db2.gz ONYSRQXFJYMVAS-UHFFFAOYSA-N 0 0 194.215 1.534 10 0 ADAERN CC(C)C[C@@H]([NH3+])c1nc2cnoc2[n-]1 74246478 572484711 /nfs/dbraw/zinc/48/47/11/572484711.db2.gz DFAGNDOWLJIEDL-ZCFIWIBFSA-N 0 0 194.238 1.597 10 0 ADAERN CON[C@@H](C)c1ccc(O)cc1F 234745817 572484727 /nfs/dbraw/zinc/48/47/27/572484727.db2.gz AETTYISMXWYNSN-LURJTMIESA-N 0 0 185.198 1.743 10 0 ADAERN CCOC[C@@H](O)c1cc(C)cnc1N 84063565 572484738 /nfs/dbraw/zinc/48/47/38/572484738.db2.gz XNKZMUQCZDNYOC-SECBINFHSA-N 0 0 196.250 1.042 10 0 ADAERN CCOc1nc(N)cc(OC(C)C)n1 238263486 572484742 /nfs/dbraw/zinc/48/47/42/572484742.db2.gz XYPXYDKVZFIBTR-UHFFFAOYSA-N 0 0 197.238 1.245 10 0 ADAERN CN(C)c1c(O)cccc1O 141377233 572484766 /nfs/dbraw/zinc/48/47/66/572484766.db2.gz PKWHDYZGUNJGJR-UHFFFAOYSA-N 0 0 153.181 1.164 10 0 ADAERN CO[C@@H]1CCCC[C@@]1(O)C(F)(F)F 234744049 572484774 /nfs/dbraw/zinc/48/47/74/572484774.db2.gz HXCZEKAZPHTHIU-RQJHMYQMSA-N 0 0 198.184 1.869 10 0 ADAERN CCOC[C@@H](O)CC[C@@H]1CCCO1 84063361 572484778 /nfs/dbraw/zinc/48/47/78/572484778.db2.gz HOSKHWMDHVYCLK-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN O=C1NC[C@@H]2C[C@]12Cc1ccccc1 44857578 572484785 /nfs/dbraw/zinc/48/47/85/572484785.db2.gz URQIDZFJFLQNGL-JQWIXIFHSA-N 0 0 187.242 1.365 10 0 ADAERN CCOCC(=O)c1ccnn1CC 84062797 572484796 /nfs/dbraw/zinc/48/47/96/572484796.db2.gz GXEHWHZLOIHHIU-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN CCC[C@H](C(N)=O)[C@H](CC)OC 238264129 572484806 /nfs/dbraw/zinc/48/48/06/572484806.db2.gz GIAYUQBEUDCNHH-YUMQZZPRSA-N 0 0 173.256 1.313 10 0 ADAERN C[N@@H+]1CCC[C@H]([C@@H](C(=O)[O-])C2CC2)C1 250592509 572484811 /nfs/dbraw/zinc/48/48/11/572484811.db2.gz HUFTUZKRHVNCFD-UWVGGRQHSA-N 0 0 197.278 1.439 10 0 ADAERN COc1cccc2oc([C@@H](C)O)nc12 141358193 572484818 /nfs/dbraw/zinc/48/48/18/572484818.db2.gz TTWQNTPCJXMFAN-ZCFIWIBFSA-N 0 0 193.202 1.890 10 0 ADAERN CCOCC(=O)Cc1ccsc1 84062776 572484819 /nfs/dbraw/zinc/48/48/19/572484819.db2.gz DQPIDYPIGDXPFZ-UHFFFAOYSA-N 0 0 184.260 1.896 10 0 ADAERN COC(=O)c1ccc([C@@H](C)O)s1 141319122 572484877 /nfs/dbraw/zinc/48/48/77/572484877.db2.gz IUJWQHYKTGGLKS-RXMQYKEDSA-N 0 0 186.232 1.588 10 0 ADAERN CCOC[C@@H](O)c1c(C)ccnc1N 84063207 572484878 /nfs/dbraw/zinc/48/48/78/572484878.db2.gz RDGBVSWGVNVKSN-MRVPVSSYSA-N 0 0 196.250 1.042 10 0 ADAERN O=C1OCC[C@@H]1Cc1ccccc1O 141348666 572484896 /nfs/dbraw/zinc/48/48/96/572484896.db2.gz PKHQAHNQOCQQIM-SECBINFHSA-N 0 0 192.214 1.498 10 0 ADAERN CCCn1cc(C(=O)COCC)cn1 84062862 572484935 /nfs/dbraw/zinc/48/49/35/572484935.db2.gz RGEHGBBKEGOHHD-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN CON[C@@H](C)c1cc(O)cc(O)c1 234745597 572484959 /nfs/dbraw/zinc/48/49/59/572484959.db2.gz MRAHCGOUGYLFSN-LURJTMIESA-N 0 0 183.207 1.310 10 0 ADAERN COCCCc1cnc([C@H](C)N)o1 87439027 572484992 /nfs/dbraw/zinc/48/49/92/572484992.db2.gz UEOHQPXXVVUJHX-ZETCQYMHSA-N 0 0 184.239 1.273 10 0 ADAERN CCOC[C@H](O)CCC(F)(F)F 84063303 572485029 /nfs/dbraw/zinc/48/50/29/572485029.db2.gz WZSMTHPCRLUQEF-ZCFIWIBFSA-N 0 0 186.173 1.726 10 0 ADAERN CCOC[C@@H](O)c1cccnc1 84063225 572485058 /nfs/dbraw/zinc/48/50/58/572485058.db2.gz PXXVSACIQBNQEL-SECBINFHSA-N 0 0 167.208 1.152 10 0 ADAERN Cc1nc(-c2cc(C=O)no2)cs1 74246929 572485064 /nfs/dbraw/zinc/48/50/64/572485064.db2.gz AYQAZWILGGGCPA-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOC[C@H](O)c1ccccc1F 84063476 572485130 /nfs/dbraw/zinc/48/51/30/572485130.db2.gz KKOHOICKPBHUHL-JTQLQIEISA-N 0 0 184.210 1.896 10 0 ADAERN CCOCC(=O)CC1CCOCC1 84062835 572485145 /nfs/dbraw/zinc/48/51/45/572485145.db2.gz YTHLOUUEZWRMHU-UHFFFAOYSA-N 0 0 186.251 1.409 10 0 ADAERN COCCc1cccc(N)c1 141474613 572485146 /nfs/dbraw/zinc/48/51/46/572485146.db2.gz GQFRUIZUDUBMLG-UHFFFAOYSA-N 0 0 151.209 1.458 10 0 ADAERN CCCn1nccc1[C@H](O)COCC 84063555 572485156 /nfs/dbraw/zinc/48/51/56/572485156.db2.gz CMGXVRVZGOSQIF-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN CCCCC[C@H](O)COCC 84063149 572485165 /nfs/dbraw/zinc/48/51/65/572485165.db2.gz QRTCCFAHTWYVAL-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN Cc1cn(C)c(Nc2cccnc2)[nH+]1 235941420 572485255 /nfs/dbraw/zinc/48/52/55/572485255.db2.gz DRESDMCEZXEHFR-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN CCOC[C@H](O)Cc1cccs1 84063539 572485372 /nfs/dbraw/zinc/48/53/72/572485372.db2.gz SGHUCJRHVYAGSK-MRVPVSSYSA-N 0 0 186.276 1.688 10 0 ADAERN Cc1scnc1-c1ncc(C=O)o1 74246896 572485444 /nfs/dbraw/zinc/48/54/44/572485444.db2.gz OTIDTULSGXYYES-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN Cc1cc(-c2cc(C=O)sn2)no1 74246915 572485462 /nfs/dbraw/zinc/48/54/62/572485462.db2.gz XEAFOXMTBQIIOA-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOC[C@H](O)CCC(C)C 84063145 572485509 /nfs/dbraw/zinc/48/55/09/572485509.db2.gz OVJVUUJDASUZCO-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CCCc1nnc2cnccn12 44857508 572485514 /nfs/dbraw/zinc/48/55/14/572485514.db2.gz QMUHLFFVXHUTPQ-UHFFFAOYSA-N 0 0 162.196 1.077 10 0 ADAERN Cc1coc(-c2ncc(C=O)s2)n1 74246900 572485525 /nfs/dbraw/zinc/48/55/25/572485525.db2.gz PATAWZPWXMCDBM-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOC[C@@H](O)Cc1cccs1 84063541 572485470 /nfs/dbraw/zinc/48/54/70/572485470.db2.gz SGHUCJRHVYAGSK-QMMMGPOBSA-N 0 0 186.276 1.688 10 0 ADAERN CCCOCc1csc(=NN)[nH]1 308040695 572485474 /nfs/dbraw/zinc/48/54/74/572485474.db2.gz NEBBEYDLBOXWKX-UHFFFAOYSA-N 0 0 187.268 1.355 10 0 ADAERN CCOC[C@@H](O)c1ccccc1F 84063478 572485484 /nfs/dbraw/zinc/48/54/84/572485484.db2.gz KKOHOICKPBHUHL-SNVBAGLBSA-N 0 0 184.210 1.896 10 0 ADAERN C[N@@H+]1CCC[C@@H]1[C@H](CC(=O)[O-])C1CC1 250593046 572485489 /nfs/dbraw/zinc/48/54/89/572485489.db2.gz HWRMGGATDQKUOB-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1cc2c(cc1F)N[C@H](C)C(=O)N2 74246950 572485567 /nfs/dbraw/zinc/48/55/67/572485567.db2.gz HMFJPQPKHYGHPQ-ZCFIWIBFSA-N 0 0 194.209 1.887 10 0 ADAERN CCOC[C@@H](O)c1ccc(C)nc1 84063167 572485579 /nfs/dbraw/zinc/48/55/79/572485579.db2.gz SBOLRYMORWTLMR-SNVBAGLBSA-N 0 0 181.235 1.460 10 0 ADAERN C[N@@H+]1CCC[C@@H]([C@@H](C(=O)[O-])C2CC2)C1 250592511 572485588 /nfs/dbraw/zinc/48/55/88/572485588.db2.gz HUFTUZKRHVNCFD-ZJUUUORDSA-N 0 0 197.278 1.439 10 0 ADAERN CCCn1ccnc1[C@@H](O)COCC 84063042 572485594 /nfs/dbraw/zinc/48/55/94/572485594.db2.gz GSKDNCYZHXHXJK-VIFPVBQESA-N 0 0 198.266 1.363 10 0 ADAERN CCOCC(=O)c1cncc(F)c1 84062790 572485597 /nfs/dbraw/zinc/48/55/97/572485597.db2.gz XURHDWFYLASKOJ-UHFFFAOYSA-N 0 0 183.182 1.440 10 0 ADAERN Cc1nc(C=O)c2c(n1)CSCC2 74246368 572485610 /nfs/dbraw/zinc/48/56/10/572485610.db2.gz GLKPDASVLHSBEM-UHFFFAOYSA-N 0 0 194.259 1.387 10 0 ADAERN O[C@@H]1CC=C(CCF)C1 141488981 572485642 /nfs/dbraw/zinc/48/56/42/572485642.db2.gz CFECTQZFFBCARF-SSDOTTSWSA-N 0 0 130.162 1.427 10 0 ADAERN CC/C(=C\SC)CO 307771207 572485623 /nfs/dbraw/zinc/48/56/23/572485623.db2.gz CMVDQGOSUWWBHB-AATRIKPKSA-N 0 0 132.228 1.636 10 0 ADAERN CCOCC(=O)CC[C@@H]1CCCO1 84062961 572485690 /nfs/dbraw/zinc/48/56/90/572485690.db2.gz RRYVPMDYMFKCHD-JTQLQIEISA-N 0 0 186.251 1.551 10 0 ADAERN CCOCC(=O)c1cc(C)cnc1N 84062872 572485662 /nfs/dbraw/zinc/48/56/62/572485662.db2.gz ZSWYUYRFZHKQMT-UHFFFAOYSA-N 0 0 194.234 1.191 10 0 ADAERN CC(C)(C)C[C@H](NN)c1ccnnc1 713261742 572485682 /nfs/dbraw/zinc/48/56/82/572485682.db2.gz JAPIUFXHUULFEW-VIFPVBQESA-N 0 0 194.282 1.417 10 0 ADAERN CC(C)c1[n-]n(C)c(=O)c1CCC[NH3+] 250581606 572485683 /nfs/dbraw/zinc/48/56/83/572485683.db2.gz VRQRSWIQHQATFH-UHFFFAOYSA-N 0 0 197.282 1.140 10 0 ADAERN CCOC[C@@H](O)CCC(F)(F)F 84063305 572485687 /nfs/dbraw/zinc/48/56/87/572485687.db2.gz WZSMTHPCRLUQEF-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN CCC[C@H](O)[C@H](CCC)OCOC 238264610 572485796 /nfs/dbraw/zinc/48/57/96/572485796.db2.gz ZXAHFDUUCQKZFF-UWVGGRQHSA-N 0 0 190.283 1.937 10 0 ADAERN CCOC[C@@H](O)c1ccc(F)cc1 84062995 572485728 /nfs/dbraw/zinc/48/57/28/572485728.db2.gz FEDCBCMTWIZOCO-SNVBAGLBSA-N 0 0 184.210 1.896 10 0 ADAERN CCOCC(=O)C[C@@H]1CCCO1 84062671 572485734 /nfs/dbraw/zinc/48/57/34/572485734.db2.gz TUGWHIWPGPKVOQ-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CCOC[C@@H](O)Cc1ccccn1 84063190 572485740 /nfs/dbraw/zinc/48/57/40/572485740.db2.gz LZTOVOJSTXYNEV-JTQLQIEISA-N 0 0 181.235 1.022 10 0 ADAERN C[C@H]1NC2(CCCCC2)OC1=O 141494650 572485801 /nfs/dbraw/zinc/48/58/01/572485801.db2.gz FNUPLWRSCPAUCU-SSDOTTSWSA-N 0 0 169.224 1.182 10 0 ADAERN CCO[C@@H]1C[C@@H](OCC)C1[C@@H](C)O 238265585 572485824 /nfs/dbraw/zinc/48/58/24/572485824.db2.gz ACWLBNLCBMTUCN-IWSPIJDZSA-N 0 0 188.267 1.197 10 0 ADAERN CCC[C@H](O)[C@H](CC)COCCO 238264507 572485847 /nfs/dbraw/zinc/48/58/47/572485847.db2.gz DXSMTIOPNSMNTI-ZJUUUORDSA-N 0 0 190.283 1.183 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@@H]2CCC[C@H]21 250587443 572485853 /nfs/dbraw/zinc/48/58/53/572485853.db2.gz GUUUTBMJWIIBMD-DJLDLDEBSA-N 0 0 183.251 1.191 10 0 ADAERN CCOCc1nc(C)c(CC)c(=O)[nH]1 84062600 572485860 /nfs/dbraw/zinc/48/58/60/572485860.db2.gz UUXHAVIBUKOILA-UHFFFAOYSA-N 0 0 196.250 1.177 10 0 ADAERN CCC[S@](=O)CCCCCO 238265381 572485861 /nfs/dbraw/zinc/48/58/61/572485861.db2.gz LZWPIPYDFMQYJG-NSHDSACASA-N 0 0 178.297 1.308 10 0 ADAERN COC[C@H](C)Cc1cnc([C@H](C)N)o1 87439035 572485869 /nfs/dbraw/zinc/48/58/69/572485869.db2.gz AQXWEANJXROYKN-SFYZADRCSA-N 0 0 198.266 1.519 10 0 ADAERN CCOC[C@@H](O)c1cccc(F)c1 84063376 572485875 /nfs/dbraw/zinc/48/58/75/572485875.db2.gz OJMRPIPPFFKRDQ-SNVBAGLBSA-N 0 0 184.210 1.896 10 0 ADAERN C[C@@H](C[NH+](C)C)Oc1cccnc1 713963255 572485884 /nfs/dbraw/zinc/48/58/84/572485884.db2.gz RDTDINDIHROEBE-VIFPVBQESA-N 0 0 180.251 1.411 10 0 ADAERN CCOC[C@@H](O)Cc1ccncc1 84063064 572485893 /nfs/dbraw/zinc/48/58/93/572485893.db2.gz YRRZTXKKXXQNPR-JTQLQIEISA-N 0 0 181.235 1.022 10 0 ADAERN CCOc1cc(C[NH3+])c(N)cc1OC 238264859 572486051 /nfs/dbraw/zinc/48/60/51/572486051.db2.gz UXBLMPKOJIJZGH-UHFFFAOYSA-N 0 0 196.250 1.135 10 0 ADAERN CCO[C@@H]1CC[C@]1(CO)C(C)C 238264718 572485898 /nfs/dbraw/zinc/48/58/98/572485898.db2.gz VNGMEIHOKZWVKK-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN CCOC[C@H](O)CC1CCC1 84063107 572486052 /nfs/dbraw/zinc/48/60/52/572486052.db2.gz MECDEMZDWYTKIQ-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1ccn(-c2nc(C)c(N)s2)n1 74246326 572486079 /nfs/dbraw/zinc/48/60/79/572486079.db2.gz PCSWQHCPNJTMLP-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN CCCn1nc(C)cc1OC(=O)NC 238264914 572485934 /nfs/dbraw/zinc/48/59/34/572485934.db2.gz JBPBTTNHRZOLDK-UHFFFAOYSA-N 0 0 197.238 1.320 10 0 ADAERN COC[C@H](C)Cc1cnc([C@@H](C)N)o1 87439032 572485958 /nfs/dbraw/zinc/48/59/58/572485958.db2.gz AQXWEANJXROYKN-HTQZYQBOSA-N 0 0 198.266 1.519 10 0 ADAERN Cc1ncsc1-c1cc(C=O)no1 74246930 572485985 /nfs/dbraw/zinc/48/59/85/572485985.db2.gz SWWNZVCPUNZYCR-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOC[C@@H](O)C[C@H](C)CC 84063265 572485998 /nfs/dbraw/zinc/48/59/98/572485998.db2.gz UCCUWXTXBLVMOK-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])c1nc2cnoc2[n-]1 74246479 572485999 /nfs/dbraw/zinc/48/59/99/572485999.db2.gz DFVSTVLCLYDVFR-FSPLSTOPSA-N 0 0 194.238 1.597 10 0 ADAERN CCOC[C@H](O)Cc1cccc(C)c1 84063552 572486005 /nfs/dbraw/zinc/48/60/05/572486005.db2.gz YXKSQKCLQPWBRN-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN Cc1n[nH]cc1-c1nc(C)c(N)s1 74246321 572486013 /nfs/dbraw/zinc/48/60/13/572486013.db2.gz TXPIIWQITACLFA-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1ncc(-c2ocnc2C=O)s1 74246890 572486029 /nfs/dbraw/zinc/48/60/29/572486029.db2.gz OEMUYWBCXPZDJF-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOC[C@@H](O)Cc1ccccc1 84062988 572486044 /nfs/dbraw/zinc/48/60/44/572486044.db2.gz ASMPZHSJKICGER-NSHDSACASA-N 0 0 180.247 1.627 10 0 ADAERN CC(C)c1cc(=O)n(CCC[NH3+])[n-]1 250582992 572486065 /nfs/dbraw/zinc/48/60/65/572486065.db2.gz XHARIYIYFODPFD-UHFFFAOYSA-N 0 0 183.255 1.061 10 0 ADAERN CCOC[C@@H](O)CC1CCOCC1 84063490 572486066 /nfs/dbraw/zinc/48/60/66/572486066.db2.gz XSCMGCZJYNCADE-JTQLQIEISA-N 0 0 188.267 1.201 10 0 ADAERN CCOC[C@@H](O)c1cncc(F)c1 84063019 572486116 /nfs/dbraw/zinc/48/61/16/572486116.db2.gz BGCDMZVPXJUYDL-SECBINFHSA-N 0 0 185.198 1.291 10 0 ADAERN CC[C@@H](CCO)C(=O)OC(C)(C)C 238264452 572486117 /nfs/dbraw/zinc/48/61/17/572486117.db2.gz IVKKCOLJEDODJL-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN Cc1cc2c(cc1F)N[C@@H](C)C(=O)N2 74246951 572486147 /nfs/dbraw/zinc/48/61/47/572486147.db2.gz HMFJPQPKHYGHPQ-LURJTMIESA-N 0 0 194.209 1.887 10 0 ADAERN Cc1ccn(COCC2CC2)c(=O)c1 235941888 572486253 /nfs/dbraw/zinc/48/62/53/572486253.db2.gz WBIPDJPGTRUZLL-UHFFFAOYSA-N 0 0 193.246 1.541 10 0 ADAERN CCC[S@@](=O)CCCCCO 238264973 572486197 /nfs/dbraw/zinc/48/61/97/572486197.db2.gz LZWPIPYDFMQYJG-LLVKDONJSA-N 0 0 178.297 1.308 10 0 ADAERN CCOC[C@H](O)c1cccnc1 84063223 572486199 /nfs/dbraw/zinc/48/61/99/572486199.db2.gz PXXVSACIQBNQEL-VIFPVBQESA-N 0 0 167.208 1.152 10 0 ADAERN CCCCc1[nH]c(C=O)nc1C 238267233 572486233 /nfs/dbraw/zinc/48/62/33/572486233.db2.gz KELYVQVBBPEATG-UHFFFAOYSA-N 0 0 166.224 1.873 10 0 ADAERN CC[C@H](C)[C@H](C)[C@@H](C[NH3+])CC(=O)[O-] 238264251 572486247 /nfs/dbraw/zinc/48/62/47/572486247.db2.gz IZXYJQFRAQXPLJ-XHNCKOQMSA-N 0 0 187.283 1.718 10 0 ADAERN C[N@@H+]1CCC[C@H]1[C@H](CC(=O)[O-])C1CC1 250593047 572486271 /nfs/dbraw/zinc/48/62/71/572486271.db2.gz HWRMGGATDQKUOB-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1cnoc1-c1cc(C=O)sn1 74246909 572486312 /nfs/dbraw/zinc/48/63/12/572486312.db2.gz ILCNHPIDUKVIBV-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOC[C@H](O)CC1CCOCC1 84063489 572486324 /nfs/dbraw/zinc/48/63/24/572486324.db2.gz XSCMGCZJYNCADE-SNVBAGLBSA-N 0 0 188.267 1.201 10 0 ADAERN C[N@@H+]1CC[C@@]2(C[C@H]2CCC(=O)[O-])C1 250631267 572486330 /nfs/dbraw/zinc/48/63/30/572486330.db2.gz RECSBCJBHRXDOF-PSASIEDQSA-N 0 0 183.251 1.193 10 0 ADAERN CC(C)C[C@]12C[C@H]1CNC2=O 44857586 572486338 /nfs/dbraw/zinc/48/63/38/572486338.db2.gz MDYSLDPCYSVZMU-CBAPKCEASA-N 0 0 153.225 1.169 10 0 ADAERN CCCCCN(C)C(=O)c1nc[nH]n1 87441031 572486359 /nfs/dbraw/zinc/48/63/59/572486359.db2.gz HCPIGQAHVFXQDS-UHFFFAOYSA-N 0 0 196.254 1.067 10 0 ADAERN CC[C@@H](CCO)CCC(C)(C)O 238264537 572486377 /nfs/dbraw/zinc/48/63/77/572486377.db2.gz LYJZRURFOKICRQ-SECBINFHSA-N 0 0 174.284 1.946 10 0 ADAERN CC(C)C[C@@]12C[C@@H]1CNC2=O 44857585 572486383 /nfs/dbraw/zinc/48/63/83/572486383.db2.gz MDYSLDPCYSVZMU-VXNVDRBHSA-N 0 0 153.225 1.169 10 0 ADAERN CCO[C@@H]1CC[C@@H](CCO)CO1 238264224 572486384 /nfs/dbraw/zinc/48/63/84/572486384.db2.gz FLTXLFLEZAOIFT-IUCAKERBSA-N 0 0 174.240 1.158 10 0 ADAERN OCc1cnc(-c2ccco2)s1 62201664 572486388 /nfs/dbraw/zinc/48/63/88/572486388.db2.gz BORMAGKPHSDSHP-UHFFFAOYSA-N 0 0 181.216 1.895 10 0 ADAERN CCOCC(=O)CCC1CC1 84062807 572486397 /nfs/dbraw/zinc/48/63/97/572486397.db2.gz LXGRZBCEMUJLDR-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN CCOC[C@H](O)CC[C@@H]1CCCO1 84063359 572486408 /nfs/dbraw/zinc/48/64/08/572486408.db2.gz HOSKHWMDHVYCLK-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CC(=O)N(C)CC[C@H]1CCCCO1 62192864 572486422 /nfs/dbraw/zinc/48/64/22/572486422.db2.gz TWUXCFPJTVJFCQ-SNVBAGLBSA-N 0 0 185.267 1.424 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C2CC2)C1 250594515 572486443 /nfs/dbraw/zinc/48/64/43/572486443.db2.gz IGUFOESRRUBION-DTWKUNHWSA-N 0 0 183.251 1.049 10 0 ADAERN Cc1cc(-c2ncc(C=O)s2)no1 74246921 572486454 /nfs/dbraw/zinc/48/64/54/572486454.db2.gz MVTIETXMIXSSNF-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CC[C@H](C)[C@H](C)n1cc(C[NH3+])cn1 238264535 572486468 /nfs/dbraw/zinc/48/64/68/572486468.db2.gz PGCOTLDTEABXKR-IUCAKERBSA-N 0 0 181.283 1.949 10 0 ADAERN CC[C@@H](CCO)C(=O)c1ccncc1 238264478 572486471 /nfs/dbraw/zinc/48/64/71/572486471.db2.gz CPPZYRYSKFZZSA-VIFPVBQESA-N 0 0 193.246 1.673 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]1C1CCCC1 250588472 572486477 /nfs/dbraw/zinc/48/64/77/572486477.db2.gz HAOKARLJCLDWCV-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CCOC[C@H](O)Cc1ccncc1 84063062 572486490 /nfs/dbraw/zinc/48/64/90/572486490.db2.gz YRRZTXKKXXQNPR-SNVBAGLBSA-N 0 0 181.235 1.022 10 0 ADAERN Cc1ncoc1-c1cc(C=O)sn1 74246912 572486529 /nfs/dbraw/zinc/48/65/29/572486529.db2.gz ARDULYIYDNXJOC-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN Cc1ncsc1-c1oncc1C=O 74246934 572486531 /nfs/dbraw/zinc/48/65/31/572486531.db2.gz XJWQQTNBHLJAPP-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOCC1(COCC)CC(O)C1 238262025 572486532 /nfs/dbraw/zinc/48/65/32/572486532.db2.gz WBNPDXHUPXNFPL-UHFFFAOYSA-N 0 0 188.267 1.201 10 0 ADAERN Cc1nocc1-c1cc(C=O)sn1 74246908 572486547 /nfs/dbraw/zinc/48/65/47/572486547.db2.gz SSNHPUBIDQZOTD-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCSO 62238218 572486548 /nfs/dbraw/zinc/48/65/48/572486548.db2.gz HRKZEUPYFXLVQW-UHFFFAOYSA-N 0 0 78.136 1.213 10 0 in-vitro ADAERN CCO[C@@H]1CC[C@@]1(C)[C@@H](O)CC 238264503 572486558 /nfs/dbraw/zinc/48/65/58/572486558.db2.gz SLGGXYMXDKFZGH-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C2CC2)C1 250594517 572486576 /nfs/dbraw/zinc/48/65/76/572486576.db2.gz IGUFOESRRUBION-RKDXNWHRSA-N 0 0 183.251 1.049 10 0 ADAERN CCOC[C@H](O)c1cccc(F)c1 84063374 572486581 /nfs/dbraw/zinc/48/65/81/572486581.db2.gz OJMRPIPPFFKRDQ-JTQLQIEISA-N 0 0 184.210 1.896 10 0 ADAERN COC[C@@H](C)Cc1cnc([C@H](C)N)o1 87439034 572486587 /nfs/dbraw/zinc/48/65/87/572486587.db2.gz AQXWEANJXROYKN-YUMQZZPRSA-N 0 0 198.266 1.519 10 0 ADAERN CCC[C@H](O)[C@H](CCC)NC(C)=O 238264608 572486750 /nfs/dbraw/zinc/48/67/50/572486750.db2.gz GSSLGEFZVAFRLV-UWVGGRQHSA-N 0 0 187.283 1.452 10 0 ADAERN CCOC[C@@H](O)CC[C@H]1CCCO1 84063365 572486771 /nfs/dbraw/zinc/48/67/71/572486771.db2.gz HOSKHWMDHVYCLK-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CCCn1ccnc1C(=O)COCC 84062780 572486777 /nfs/dbraw/zinc/48/67/77/572486777.db2.gz GOVWKDYRKVMDJM-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN [NH3+][C@H]1CCc2cccc(C(=O)[O-])c21 141491763 572486787 /nfs/dbraw/zinc/48/67/87/572486787.db2.gz PADUIJUTDOLGIL-QMMMGPOBSA-N 0 0 177.203 1.331 10 0 ADAERN CCO[C@@H]1CC[C@@]1(CO)C(C)C 238264509 572486799 /nfs/dbraw/zinc/48/67/99/572486799.db2.gz VNGMEIHOKZWVKK-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN CCOC[C@H](O)c1ccc(F)cc1 84062994 572486821 /nfs/dbraw/zinc/48/68/21/572486821.db2.gz FEDCBCMTWIZOCO-JTQLQIEISA-N 0 0 184.210 1.896 10 0 ADAERN CC[C@@H](CCC[NH3+])CC(=O)[O-] 238261965 572486876 /nfs/dbraw/zinc/48/68/76/572486876.db2.gz DAUWTQDQBAHPMI-ZETCQYMHSA-N 0 0 159.229 1.226 10 0 ADAERN CCOCC(=O)CC1CCC1 84062974 572486892 /nfs/dbraw/zinc/48/68/92/572486892.db2.gz GSWTXEJMUJAVRN-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN CC(C)Cc1ncc(CO)s1 62201404 572486948 /nfs/dbraw/zinc/48/69/48/572486948.db2.gz WFDMPHVGYRVFMV-UHFFFAOYSA-N 0 0 171.265 1.834 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]1C1CCCC1 250588474 572486949 /nfs/dbraw/zinc/48/69/49/572486949.db2.gz HAOKARLJCLDWCV-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CCC(=O)N(C)CC[C@@H]1CCCCO1 62192867 572486953 /nfs/dbraw/zinc/48/69/53/572486953.db2.gz VBNCAEDNKNCZKE-JTQLQIEISA-N 0 0 199.294 1.814 10 0 ADAERN CCC(=O)N(C)CC[C@H]1CCCCO1 62192869 572486978 /nfs/dbraw/zinc/48/69/78/572486978.db2.gz VBNCAEDNKNCZKE-SNVBAGLBSA-N 0 0 199.294 1.814 10 0 ADAERN CCOC[C@@H](O)CC1CCC1 84063108 572486981 /nfs/dbraw/zinc/48/69/81/572486981.db2.gz MECDEMZDWYTKIQ-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CCOC[C@@H](O)CCC1CC1 84063507 572487001 /nfs/dbraw/zinc/48/70/01/572487001.db2.gz SXSAQGCYDMNCBG-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CCOCC(=O)c1nccn1CC 84062947 572487009 /nfs/dbraw/zinc/48/70/09/572487009.db2.gz NJZUROZTOBWUDX-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN CCOC[C@@H](O)Cc1ccccc1C 84063309 572487030 /nfs/dbraw/zinc/48/70/30/572487030.db2.gz QVOAXVBDRFIQDC-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN CCOCc1noc([C@H]2CCC[NH2+]2)n1 84062292 572488431 /nfs/dbraw/zinc/48/84/31/572488431.db2.gz QGRGPICJRLAYBV-SSDOTTSWSA-N 0 0 197.238 1.031 10 0 ADAERN O=C1NC[C@H]2C[C@@]12Cc1ccccc1 44857577 572487059 /nfs/dbraw/zinc/48/70/59/572487059.db2.gz URQIDZFJFLQNGL-ZYHUDNBSSA-N 0 0 187.242 1.365 10 0 ADAERN CCCC[C@H]1C[C@@H](O)CC(=O)O1 141497643 572487062 /nfs/dbraw/zinc/48/70/62/572487062.db2.gz CSWOPZYVOKHPFF-SFYZADRCSA-N 0 0 172.224 1.243 10 0 ADAERN CC[C@@H](O)/C=C/C=C/C(=O)OC 238264604 572487088 /nfs/dbraw/zinc/48/70/88/572487088.db2.gz RBUSIQRYQHNDPN-BDVWPJSNSA-N 0 0 170.208 1.043 10 0 ADAERN CCOC[C@H](O)C[C@H](C)CC 84063268 572487093 /nfs/dbraw/zinc/48/70/93/572487093.db2.gz UCCUWXTXBLVMOK-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN Cc1ncc(-c2cc(C=O)no2)s1 74246932 572487099 /nfs/dbraw/zinc/48/70/99/572487099.db2.gz IODYDVDKTQSDFL-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCCC[C@H]1C[C@H](O)CC(=O)O1 141497465 572487113 /nfs/dbraw/zinc/48/71/13/572487113.db2.gz CSWOPZYVOKHPFF-YUMQZZPRSA-N 0 0 172.224 1.243 10 0 ADAERN Nc1cc2sc(C=O)nc2cc1O 74246883 572487119 /nfs/dbraw/zinc/48/71/19/572487119.db2.gz FCAJXDOWODOQAY-UHFFFAOYSA-N 0 0 194.215 1.397 10 0 ADAERN CCC[C@@H](O)c1cn(C)cc1[C@@H](C)O 238262055 572487163 /nfs/dbraw/zinc/48/71/63/572487163.db2.gz IZDRLDVUUUOPAU-LDYMZIIASA-N 0 0 197.278 1.912 10 0 ADAERN CCOC[C@@H](O)Cc1ccc(F)cc1 84063085 572487165 /nfs/dbraw/zinc/48/71/65/572487165.db2.gz CFIYDKNUEFSSCV-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN Cc1ncsc1-c1ocnc1C=O 74246892 572487199 /nfs/dbraw/zinc/48/71/99/572487199.db2.gz MDJOYAGTBJLRFX-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CC/C=C/C(=O)NCC1CCC1 308041364 572487228 /nfs/dbraw/zinc/48/72/28/572487228.db2.gz NQAFSMHDQSTVFN-XVNBXDOJSA-N 0 0 167.252 1.869 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 250631948 572487232 /nfs/dbraw/zinc/48/72/32/572487232.db2.gz RIQFNPXJQQIFEU-CIUDSAMLSA-N 0 0 183.251 1.191 10 0 ADAERN CCOCC(=O)Cc1cccc(F)c1 84062686 572487270 /nfs/dbraw/zinc/48/72/70/572487270.db2.gz MGVYBNWNDOYYDP-UHFFFAOYSA-N 0 0 196.221 1.974 10 0 ADAERN Cc1oncc1-c1ncc(C=O)s1 74246923 572487313 /nfs/dbraw/zinc/48/73/13/572487313.db2.gz KCLKBHNEKDMQOP-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOC[C@H](O)c1c(C)ccnc1N 84063205 572487315 /nfs/dbraw/zinc/48/73/15/572487315.db2.gz RDGBVSWGVNVKSN-QMMMGPOBSA-N 0 0 196.250 1.042 10 0 ADAERN CCCn1nccc1[C@@H](O)COCC 84063557 572487330 /nfs/dbraw/zinc/48/73/30/572487330.db2.gz CMGXVRVZGOSQIF-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN CCOCC(=O)C1CCOCC1 84062849 572487440 /nfs/dbraw/zinc/48/74/40/572487440.db2.gz UTZZZVLJVSFLEB-UHFFFAOYSA-N 0 0 172.224 1.019 10 0 ADAERN CCC[C@H](O)[C@H](O)c1ccccc1O 238264911 572487461 /nfs/dbraw/zinc/48/74/61/572487461.db2.gz FIBUOZGKIYUHJV-WDEREUQCSA-N 0 0 196.246 1.587 10 0 ADAERN Cc1nc(-c2ncsn2)[nH]c1C=O 74246877 572487475 /nfs/dbraw/zinc/48/74/75/572487475.db2.gz AOQNZHUEBOINJO-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN Cc1ccn(-c2sc(N)nc2C)n1 74246327 572487488 /nfs/dbraw/zinc/48/74/88/572487488.db2.gz NNGDDHVOTODGGQ-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN CCOCC(=O)CC[C@H]1CCCO1 84062962 572487492 /nfs/dbraw/zinc/48/74/92/572487492.db2.gz RRYVPMDYMFKCHD-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN CCCn1nccc1C(=O)COCC 84062799 572487513 /nfs/dbraw/zinc/48/75/13/572487513.db2.gz LKRWWXQITQJRKS-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN CCOC[C@H](O)Cc1ccc(F)cc1 84063082 572487531 /nfs/dbraw/zinc/48/75/31/572487531.db2.gz CFIYDKNUEFSSCV-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN CCC[C@H](O)[C@H](CCC)[C@@H](C)O 238264614 572487539 /nfs/dbraw/zinc/48/75/39/572487539.db2.gz JZGNTHGLFLEVNI-BBBLOLIVSA-N 0 0 174.284 1.945 10 0 ADAERN Cc1scnc1-c1cc(C=O)no1 74246931 572487545 /nfs/dbraw/zinc/48/75/45/572487545.db2.gz DWUCXLMJIBPABQ-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCCCCC[C@H]([NH3+])[P@@H](=O)[O-] 307771714 572487561 /nfs/dbraw/zinc/48/75/61/572487561.db2.gz IQSJGMQNSTUAGX-SSDOTTSWSA-N 0 0 179.200 1.709 10 0 ADAERN CONCc1ccc2cnccc2c1 234742917 572487573 /nfs/dbraw/zinc/48/75/73/572487573.db2.gz GHWBYRODCDLJRB-UHFFFAOYSA-N 0 0 188.230 1.886 10 0 ADAERN C[N@@H+]1CC[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2CC1 250631933 572487583 /nfs/dbraw/zinc/48/75/83/572487583.db2.gz RIGGYDZSROXADL-ILWJIGKKSA-N 0 0 197.278 1.439 10 0 ADAERN CCOC[C@H](O)Cc1ccccn1 84063188 572487591 /nfs/dbraw/zinc/48/75/91/572487591.db2.gz LZTOVOJSTXYNEV-SNVBAGLBSA-N 0 0 181.235 1.022 10 0 ADAERN CCOCC(=O)Cc1ccncc1 84062706 572487596 /nfs/dbraw/zinc/48/75/96/572487596.db2.gz OHSFBNDNJLOPQO-UHFFFAOYSA-N 0 0 179.219 1.230 10 0 ADAERN CCOCC(=O)Cc1cnn(CC)c1 84062976 572487617 /nfs/dbraw/zinc/48/76/17/572487617.db2.gz CXVFBPFZBRTGPV-UHFFFAOYSA-N 0 0 196.250 1.051 10 0 ADAERN CCNc1c(N)cnn1C(C)C 141491362 572487626 /nfs/dbraw/zinc/48/76/26/572487626.db2.gz PVUIWWLBFGNFAO-UHFFFAOYSA-N 0 0 168.244 1.478 10 0 ADAERN CCO[C@@H]1CC[C@H](CCO)CO1 238264581 572487637 /nfs/dbraw/zinc/48/76/37/572487637.db2.gz FLTXLFLEZAOIFT-BDAKNGLRSA-N 0 0 174.240 1.158 10 0 ADAERN CCCn1cc([C@@H](O)COCC)cn1 84063029 572487650 /nfs/dbraw/zinc/48/76/50/572487650.db2.gz XWWRKRZPYORCCK-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN C/C(=C/Cl)CSCC(N)=O 307772738 572487709 /nfs/dbraw/zinc/48/77/09/572487709.db2.gz DSBBLSVPQIDBMU-DJWKRKHSSA-N 0 0 179.672 1.348 10 0 ADAERN C[C@H](C[NH+](C)C)Oc1cccnc1 713963253 572487715 /nfs/dbraw/zinc/48/77/15/572487715.db2.gz RDTDINDIHROEBE-SECBINFHSA-N 0 0 180.251 1.411 10 0 ADAERN CCOCc1nc(CC)c(C)c(=O)[nH]1 84062618 572487723 /nfs/dbraw/zinc/48/77/23/572487723.db2.gz DPSQYOQXDCXGLG-UHFFFAOYSA-N 0 0 196.250 1.177 10 0 ADAERN CC[C@H](C)[C@H](C)n1cc(CO)cn1 238264540 572487743 /nfs/dbraw/zinc/48/77/43/572487743.db2.gz YFYFGWVYFFMFNL-IUCAKERBSA-N 0 0 182.267 1.983 10 0 ADAERN CCOC1=C[C@H](O)C[C@H]1OCC 238265534 572487759 /nfs/dbraw/zinc/48/77/59/572487759.db2.gz OOBTYFNRVVLXHI-IONNQARKSA-N 0 0 172.224 1.077 10 0 ADAERN Cc1cn(C)c(Nc2ccnn2C)[nH+]1 235941459 572487778 /nfs/dbraw/zinc/48/77/78/572487778.db2.gz GJHSBAFKMSTOQF-UHFFFAOYSA-N 0 0 191.238 1.206 10 0 ADAERN CCCC[C@@H]1C[C@H](O)CC(=O)O1 141497312 572487787 /nfs/dbraw/zinc/48/77/87/572487787.db2.gz CSWOPZYVOKHPFF-JGVFFNPUSA-N 0 0 172.224 1.243 10 0 ADAERN CCOCC(=O)CCC(F)(F)F 84062911 572487790 /nfs/dbraw/zinc/48/77/90/572487790.db2.gz IMJDAMWXACHBKI-UHFFFAOYSA-N 0 0 184.157 1.935 10 0 ADAERN CCCCCC[C@@H]([NH3+])[P@@H](=O)[O-] 307771716 572487796 /nfs/dbraw/zinc/48/77/96/572487796.db2.gz IQSJGMQNSTUAGX-ZETCQYMHSA-N 0 0 179.200 1.709 10 0 ADAERN CC[C@@H](CCO)CC(C)(C)O 238264511 572487807 /nfs/dbraw/zinc/48/78/07/572487807.db2.gz ZVLVKBWMEZFSFW-QMMMGPOBSA-N 0 0 160.257 1.556 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@H](C(=O)[O-])C[C@H]21 250608432 572490347 /nfs/dbraw/zinc/49/03/47/572490347.db2.gz LYOGFQWFWGODIA-HRDYMLBCSA-N 0 0 183.251 1.191 10 0 ADAERN CCOCC(=O)c1cccnc1 84062847 572487816 /nfs/dbraw/zinc/48/78/16/572487816.db2.gz BRUNDINWVNJTNO-UHFFFAOYSA-N 0 0 165.192 1.301 10 0 ADAERN CCOC[C@H](O)CCC1CC1 84063505 572487830 /nfs/dbraw/zinc/48/78/30/572487830.db2.gz SXSAQGCYDMNCBG-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CCOCC(=O)c1c(C)ccnc1N 84062981 572487834 /nfs/dbraw/zinc/48/78/34/572487834.db2.gz YJOGJNGUVWFZMR-UHFFFAOYSA-N 0 0 194.234 1.191 10 0 ADAERN O=Cc1c[nH]c(=O)n1-c1cccs1 74246917 572487840 /nfs/dbraw/zinc/48/78/40/572487840.db2.gz QKMCWVONSMZWDU-UHFFFAOYSA-N 0 0 194.215 1.040 10 0 ADAERN CCCn1cnc(N)c1C(=O)OCC 238264327 572487842 /nfs/dbraw/zinc/48/78/42/572487842.db2.gz FQHBEKNSUPHSKO-UHFFFAOYSA-N 0 0 197.238 1.052 10 0 ADAERN CCOC[C@H](O)CC[C@H]1CCCO1 84063363 572487871 /nfs/dbraw/zinc/48/78/71/572487871.db2.gz HOSKHWMDHVYCLK-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CCC(CC)N(C)C(=O)c1nc[nH]n1 87441144 572487874 /nfs/dbraw/zinc/48/78/74/572487874.db2.gz OHGSSXYHEHHQCW-UHFFFAOYSA-N 0 0 196.254 1.065 10 0 ADAERN COC[C@@H](C)Cc1cnc([C@@H](C)N)o1 87439031 572487878 /nfs/dbraw/zinc/48/78/78/572487878.db2.gz AQXWEANJXROYKN-JGVFFNPUSA-N 0 0 198.266 1.519 10 0 ADAERN CCC[C@@H]1CC(=O)CCN1C(=O)OC 238265113 572487896 /nfs/dbraw/zinc/48/78/96/572487896.db2.gz FPHAQUQSWXRWMA-MRVPVSSYSA-N 0 0 199.250 1.586 10 0 ADAERN Cc1cn(C)c(Nc2cn[nH]c2)[nH+]1 235941481 572487900 /nfs/dbraw/zinc/48/79/00/572487900.db2.gz FIHKWURQUMFLRK-UHFFFAOYSA-N 0 0 177.211 1.195 10 0 ADAERN C[N@@H+]1CC[C@H](C2CCCC2)[C@H]1C(=O)[O-] 250591500 572487913 /nfs/dbraw/zinc/48/79/13/572487913.db2.gz HNKKDNZESOVKFS-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CCOCCCc1cnc(CNC)o1 87439054 572487946 /nfs/dbraw/zinc/48/79/46/572487946.db2.gz RKKWRIQQQNZEGA-UHFFFAOYSA-N 0 0 198.266 1.363 10 0 ADAERN CCOC[C@H](O)Cc1cccc(F)c1 84063180 572487949 /nfs/dbraw/zinc/48/79/49/572487949.db2.gz BKWWKNCIPJNYED-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN CC(C)CONC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250582683 572487953 /nfs/dbraw/zinc/48/79/53/572487953.db2.gz VVVKQRBZCFDTDC-ILWJIGKKSA-N 0 0 197.278 1.736 10 0 ADAERN C[N@@H+]1CC[C@]2(C[C@H]2CCC(=O)[O-])C1 250631269 572487957 /nfs/dbraw/zinc/48/79/57/572487957.db2.gz RECSBCJBHRXDOF-SCZZXKLOSA-N 0 0 183.251 1.193 10 0 ADAERN CCNC1=C(C(=O)OCC)CCCC1 238267103 572489440 /nfs/dbraw/zinc/48/94/40/572489440.db2.gz FSTJPDXRSUNLBY-UHFFFAOYSA-N 0 0 197.278 1.987 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21 250587447 572487975 /nfs/dbraw/zinc/48/79/75/572487975.db2.gz GUUUTBMJWIIBMD-YIZRAAEISA-N 0 0 183.251 1.191 10 0 ADAERN CCOCc1noc([C@@H]2CCC[NH2+]2)n1 84062291 572488217 /nfs/dbraw/zinc/48/82/17/572488217.db2.gz QGRGPICJRLAYBV-ZETCQYMHSA-N 0 0 197.238 1.031 10 0 ADAERN Cc1c(N)cccc1C(C)(C)O 44857560 572487998 /nfs/dbraw/zinc/48/79/98/572487998.db2.gz TZPXRXLQLFPRHW-UHFFFAOYSA-N 0 0 165.236 1.805 10 0 ADAERN CCOC[C@@H](O)CC1CCCC1 84063033 572488002 /nfs/dbraw/zinc/48/80/02/572488002.db2.gz TUVXLAGUHTWZFM-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CCOCC(=O)c1ccc(C)nc1 84062858 572488008 /nfs/dbraw/zinc/48/80/08/572488008.db2.gz GHFDUMKCKFJIFN-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN Cc1cnc(-c2cc(C=O)sn2)o1 74246916 572488023 /nfs/dbraw/zinc/48/80/23/572488023.db2.gz HYBDMKSGRZRISX-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CO[C@@H]1CCCC[C@@]1(O)C1CC1 234745634 572488046 /nfs/dbraw/zinc/48/80/46/572488046.db2.gz DQPXLBBARFNIES-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1c[nH]c(-c2nc(C)c(N)s2)n1 74246322 572488034 /nfs/dbraw/zinc/48/80/34/572488034.db2.gz FYNOJDVFRLYXDY-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN CCOC[C@@H](O)Cc1cccc(C)c1 84063554 572488037 /nfs/dbraw/zinc/48/80/37/572488037.db2.gz YXKSQKCLQPWBRN-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN CCCCCOCC(=O)N1CC1 308041343 572488038 /nfs/dbraw/zinc/48/80/38/572488038.db2.gz NODBQAZCNDUMBW-UHFFFAOYSA-N 0 0 171.240 1.035 10 0 ADAERN CNCc1ncc(C[C@@H](C)COC)o1 87439061 572488218 /nfs/dbraw/zinc/48/82/18/572488218.db2.gz GDBSSDWHDWONEN-MRVPVSSYSA-N 0 0 198.266 1.219 10 0 ADAERN Cc1conc1-c1cc(C=O)sn1 74246914 572488053 /nfs/dbraw/zinc/48/80/53/572488053.db2.gz DLIARXKYAWWEKL-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN Cc1nc(-c2oncc2C=O)cs1 74246935 572488088 /nfs/dbraw/zinc/48/80/88/572488088.db2.gz QILZCBYIZIEBQW-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCn1ncc(N)c1NC(C)C 141488589 572488101 /nfs/dbraw/zinc/48/81/01/572488101.db2.gz LMVAIQGMXVEKPZ-UHFFFAOYSA-N 0 0 168.244 1.306 10 0 ADAERN CCOC[C@H](O)c1ccc(C)nc1 84063166 572488104 /nfs/dbraw/zinc/48/81/04/572488104.db2.gz SBOLRYMORWTLMR-JTQLQIEISA-N 0 0 181.235 1.460 10 0 ADAERN CC(=O)N(C)CC[C@@H]1CCCCO1 62192863 572488105 /nfs/dbraw/zinc/48/81/05/572488105.db2.gz TWUXCFPJTVJFCQ-JTQLQIEISA-N 0 0 185.267 1.424 10 0 ADAERN CCOC[C@H](O)Cc1ccccc1 84062986 572488133 /nfs/dbraw/zinc/48/81/33/572488133.db2.gz ASMPZHSJKICGER-LLVKDONJSA-N 0 0 180.247 1.627 10 0 ADAERN CCOC[C@@H](O)Cc1ccsc1 84063404 572488143 /nfs/dbraw/zinc/48/81/43/572488143.db2.gz MUVCJPMLZWYZPH-VIFPVBQESA-N 0 0 186.276 1.688 10 0 ADAERN CC[C@@H](CCO)CCC(=O)OC 238264533 572488220 /nfs/dbraw/zinc/48/82/20/572488220.db2.gz KIHAVRWQNASEQD-MRVPVSSYSA-N 0 0 174.240 1.348 10 0 ADAERN OCc1cnc([C@H]2CCCO2)s1 62201411 572488241 /nfs/dbraw/zinc/48/82/41/572488241.db2.gz LHMJONAEMMBYFI-SSDOTTSWSA-N 0 0 185.248 1.487 10 0 ADAERN COC(=O)/C=C\c1cc(N)cc(F)c1 90512665 572488263 /nfs/dbraw/zinc/48/82/63/572488263.db2.gz VUDCQMSMGLGRSN-IHWYPQMZSA-N 0 0 195.193 1.594 10 0 ADAERN CCSCc1ncc(CO)s1 62201352 572488270 /nfs/dbraw/zinc/48/82/70/572488270.db2.gz GBMHHNPGGGZQJY-UHFFFAOYSA-N 0 0 189.305 1.889 10 0 ADAERN CCCCc1cccc(CO)n1 238265057 572488298 /nfs/dbraw/zinc/48/82/98/572488298.db2.gz JVGANZBDHHDVJA-UHFFFAOYSA-N 0 0 165.236 1.917 10 0 ADAERN CCOCc1nc(C)c(CC)c(N)n1 84065075 572489458 /nfs/dbraw/zinc/48/94/58/572489458.db2.gz FBSODHBPMMMUMM-UHFFFAOYSA-N 0 0 195.266 1.466 10 0 ADAERN CC[C@@H](O)C/C=C(/C)OC(C)=O 238267112 572489459 /nfs/dbraw/zinc/48/94/59/572489459.db2.gz AQONHDBFHPOSBS-WILPJHFFSA-N 0 0 172.224 1.614 10 0 ADAERN CCCn1ccnc1[C@H](O)COCC 84063040 572488306 /nfs/dbraw/zinc/48/83/06/572488306.db2.gz GSKDNCYZHXHXJK-SECBINFHSA-N 0 0 198.266 1.363 10 0 ADAERN Cc1cnc(-c2ncc(C=O)s2)o1 74246901 572488324 /nfs/dbraw/zinc/48/83/24/572488324.db2.gz KXPRWNIBOAVMBM-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN Cc1c(C[C@H]2CC[C@H](O)C2)cnn1C 689733937 572489463 /nfs/dbraw/zinc/48/94/63/572489463.db2.gz RKOHOESADYUDJQ-KOLCDFICSA-N 0 0 194.278 1.432 10 0 ADAERN CCOC[C@H](O)c1cncc(F)c1 84063018 572488360 /nfs/dbraw/zinc/48/83/60/572488360.db2.gz BGCDMZVPXJUYDL-VIFPVBQESA-N 0 0 185.198 1.291 10 0 ADAERN Nc1ccc(Cl)c(CCO)c1 141487511 572488380 /nfs/dbraw/zinc/48/83/80/572488380.db2.gz AMWXWXLYMRPLRX-UHFFFAOYSA-N 0 0 171.627 1.457 10 0 ADAERN CCCCc1ccc([C@H]([NH3+])CO)nc1 238264861 572488384 /nfs/dbraw/zinc/48/83/84/572488384.db2.gz DOBBXCJXIDJQIV-SNVBAGLBSA-N 0 0 194.278 1.416 10 0 ADAERN CC[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[NH2+]1 238265172 572488393 /nfs/dbraw/zinc/48/83/93/572488393.db2.gz IOENPAZNDSXXRS-RKDXNWHRSA-N 0 0 199.294 1.859 10 0 ADAERN CCOC[C@@H](O)C[C@@H](C)CC 84063267 572488409 /nfs/dbraw/zinc/48/84/09/572488409.db2.gz UCCUWXTXBLVMOK-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN CCOC[C@@H](O)CCC(C)C 84063147 572488420 /nfs/dbraw/zinc/48/84/20/572488420.db2.gz OVJVUUJDASUZCO-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN Cc1scnc1-c1oncc1C=O 74246933 572488439 /nfs/dbraw/zinc/48/84/39/572488439.db2.gz BALHEAMOOCTCOI-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCOCC(=O)C[C@H]1CCCO1 84062673 572488453 /nfs/dbraw/zinc/48/84/53/572488453.db2.gz TUGWHIWPGPKVOQ-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN CC(=O)N1CCNc2ccc(F)cc21 74246948 572488479 /nfs/dbraw/zinc/48/84/79/572488479.db2.gz HCAPZZSKPHFFFO-UHFFFAOYSA-N 0 0 194.209 1.604 10 0 ADAERN Cc1ocnc1-c1ncc(C=O)s1 74246922 572488483 /nfs/dbraw/zinc/48/84/83/572488483.db2.gz ZMUXCXZSMBMNDT-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CNCc1ncc(C[C@H](C)COC)o1 87439059 572488490 /nfs/dbraw/zinc/48/84/90/572488490.db2.gz GDBSSDWHDWONEN-QMMMGPOBSA-N 0 0 198.266 1.219 10 0 ADAERN COC(=O)NCCc1ccccc1O 62194311 572488495 /nfs/dbraw/zinc/48/84/95/572488495.db2.gz HMSPUQOVGYKIBB-UHFFFAOYSA-N 0 0 195.218 1.291 10 0 ADAERN Cc1ncc(-c2ncc(C=O)s2)o1 74246899 572488500 /nfs/dbraw/zinc/48/85/00/572488500.db2.gz ANXGVNQAYIDXDB-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN COC(Cc1cccc(N)c1N)OC 90514997 572488527 /nfs/dbraw/zinc/48/85/27/572488527.db2.gz ZFEHHVMFFGWNQM-UHFFFAOYSA-N 0 0 196.250 1.012 10 0 ADAERN C/C=C(/CC)C(=O)N(C)C 307771754 572488534 /nfs/dbraw/zinc/48/85/34/572488534.db2.gz CYQVXAHWTVSUCQ-ALCCZGGFSA-N 0 0 141.214 1.431 10 0 ADAERN C[N@@H+]1CC[C@@H](C2CCCC2)[C@H]1C(=O)[O-] 250591498 572488574 /nfs/dbraw/zinc/48/85/74/572488574.db2.gz HNKKDNZESOVKFS-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN O[C@H]1CC=C(CCF)C1 141489189 572488608 /nfs/dbraw/zinc/48/86/08/572488608.db2.gz CFECTQZFFBCARF-ZETCQYMHSA-N 0 0 130.162 1.427 10 0 ADAERN O=Cc1cc(Cc2ccon2)ns1 74246911 572488613 /nfs/dbraw/zinc/48/86/13/572488613.db2.gz VHBOAXDKXNYUBR-UHFFFAOYSA-N 0 0 194.215 1.534 10 0 ADAERN CCOc1cc(CO)cc(OC)c1O 238265276 572488636 /nfs/dbraw/zinc/48/86/36/572488636.db2.gz UGNNANSYWUYFFV-UHFFFAOYSA-N 0 0 198.218 1.292 10 0 ADAERN CCCn1ncc(CCO)c1C 238265111 572488671 /nfs/dbraw/zinc/48/86/71/572488671.db2.gz CZTSXLUSOYKRRE-UHFFFAOYSA-N 0 0 168.240 1.136 10 0 ADAERN CCC[C@@H](O)c1cn(C)cc1[C@H](C)O 238262067 572488689 /nfs/dbraw/zinc/48/86/89/572488689.db2.gz IZDRLDVUUUOPAU-GZMMTYOYSA-N 0 0 197.278 1.912 10 0 ADAERN CC(C)C[C@@H]1CSC(=O)N1 209073748 572488698 /nfs/dbraw/zinc/48/86/98/572488698.db2.gz QGMAKHKXNXDQPW-ZCFIWIBFSA-N 0 0 159.254 1.858 10 0 ADAERN CCc1cc(C[NH3+])c2c(c1)CC(=O)N2 62200787 572488729 /nfs/dbraw/zinc/48/87/29/572488729.db2.gz KSTUZNPHQMAIPD-UHFFFAOYSA-N 0 0 190.246 1.202 10 0 ADAERN CC[C@@H](O)C(C)(C)[C@@H](O)n1cccc1 238266638 572490906 /nfs/dbraw/zinc/49/09/06/572490906.db2.gz BNSFDTKAAAOTPW-NXEZZACHSA-N 0 0 197.278 1.776 10 0 ADAERN Cc1coc(-c2cc(C=O)sn2)n1 74246910 572488751 /nfs/dbraw/zinc/48/87/51/572488751.db2.gz LIMGHGOHGHYEHV-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CCO[C@@H]1CC[C@]1(C)[C@@H](O)CC 238264711 572488759 /nfs/dbraw/zinc/48/87/59/572488759.db2.gz SLGGXYMXDKFZGH-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@H](O)[C@H]1COC[C@@H]1CC 238265055 572488798 /nfs/dbraw/zinc/48/87/98/572488798.db2.gz LYNHVCAAEDGVOH-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN CCOCc1noc(CC(=O)CC)n1 84065270 572488801 /nfs/dbraw/zinc/48/88/01/572488801.db2.gz ZUJARSAAWARBPA-UHFFFAOYSA-N 0 0 198.222 1.128 10 0 ADAERN CCCC[C@H](C)NC(=O)c1nnc[nH]1 87443840 572488807 /nfs/dbraw/zinc/48/88/07/572488807.db2.gz IXXNAUBVUCWAPA-ZETCQYMHSA-N 0 0 196.254 1.113 10 0 ADAERN CCOc1cc(C[NH3+])c(F)cc1OC 238264850 572488809 /nfs/dbraw/zinc/48/88/09/572488809.db2.gz CGZSIWOSRCNGNH-UHFFFAOYSA-N 0 0 199.225 1.692 10 0 ADAERN CCOCc1nc(N)nc(C(C)C)n1 84065469 572488813 /nfs/dbraw/zinc/48/88/13/572488813.db2.gz KBCIUEZWRABFEU-UHFFFAOYSA-N 0 0 196.254 1.114 10 0 ADAERN CCOCc1nc(C(C)=O)cs1 84064980 572488820 /nfs/dbraw/zinc/48/88/20/572488820.db2.gz LXPVSQDYFNWSQF-UHFFFAOYSA-N 0 0 185.248 1.882 10 0 ADAERN CON[C@@H](C)c1cncc(F)c1 234746090 572488827 /nfs/dbraw/zinc/48/88/27/572488827.db2.gz RQHYDMRIJDYQQS-LURJTMIESA-N 0 0 170.187 1.433 10 0 ADAERN CO[C@@H]1CCCC[C@@]1(O)C(C)C 234743950 572488859 /nfs/dbraw/zinc/48/88/59/572488859.db2.gz LIHAHSWJMSTCEJ-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1nnsc1-c1n[nH]cc1C=O 74246882 572488922 /nfs/dbraw/zinc/48/89/22/572488922.db2.gz RSQXUIUSOJPTBS-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN CCCC[C@@H](C)NC(=O)c1nnc[nH]1 87443837 572488936 /nfs/dbraw/zinc/48/89/36/572488936.db2.gz IXXNAUBVUCWAPA-SSDOTTSWSA-N 0 0 196.254 1.113 10 0 ADAERN COCCCc1cnc([C@@H](C)N)o1 87439028 572488991 /nfs/dbraw/zinc/48/89/91/572488991.db2.gz UEOHQPXXVVUJHX-SSDOTTSWSA-N 0 0 184.239 1.273 10 0 ADAERN O=Cc1cnc(Cc2cscn2)o1 74246894 572489029 /nfs/dbraw/zinc/48/90/29/572489029.db2.gz IXAKQKNDKKOTTR-UHFFFAOYSA-N 0 0 194.215 1.534 10 0 ADAERN CCC[C@@H](/C=C/CO)OC(C)=O 238267444 572489500 /nfs/dbraw/zinc/48/95/00/572489500.db2.gz HABQBUKHSLQSOC-DNQSNQRASA-N 0 0 172.224 1.267 10 0 ADAERN CCOCc1ncc([C@H](C)O)s1 84065061 572489104 /nfs/dbraw/zinc/48/91/04/572489104.db2.gz DPILLGBAZOMAGH-LURJTMIESA-N 0 0 187.264 1.733 10 0 ADAERN CCc1nc(CC)n([C@H](C)C(C)=O)n1 84065865 572489124 /nfs/dbraw/zinc/48/91/24/572489124.db2.gz VMHUKNSICZEFOW-SSDOTTSWSA-N 0 0 195.266 1.553 10 0 ADAERN C[N@@H+]1CC[C@@H](C2CCC2)[C@@H](C(=O)[O-])C1 250600473 572489226 /nfs/dbraw/zinc/48/92/26/572489226.db2.gz JWUWGCHVICJEOV-UWVGGRQHSA-N 0 0 197.278 1.439 10 0 ADAERN CCC[C@@H]1CCC[C@@H](C(=O)OCC)N1 238267697 572489199 /nfs/dbraw/zinc/48/91/99/572489199.db2.gz VGHUQUVXFHIZEX-ZJUUUORDSA-N 0 0 199.294 1.860 10 0 ADAERN CC[C@@H](O)C(=O)OCCC(C)C 238266401 572489204 /nfs/dbraw/zinc/48/92/04/572489204.db2.gz BVKWAKVSGKSKIX-MRVPVSSYSA-N 0 0 174.240 1.347 10 0 ADAERN CCOCc1noc(NC(C)C)n1 84065151 572489213 /nfs/dbraw/zinc/48/92/13/572489213.db2.gz OGDONIWVDPYMJW-UHFFFAOYSA-N 0 0 185.227 1.426 10 0 ADAERN C[N@@H+]1CC[C@@H]2CCC[C@H](C(=O)[O-])[C@@H]21 250606618 572489221 /nfs/dbraw/zinc/48/92/21/572489221.db2.gz LKVUDITZAYJOCQ-XHNCKOQMSA-N 0 0 183.251 1.191 10 0 ADAERN CCOCc1noc(CCC(C)=O)n1 84065286 572489224 /nfs/dbraw/zinc/48/92/24/572489224.db2.gz DOJJMWIKZQMWNZ-UHFFFAOYSA-N 0 0 198.222 1.128 10 0 ADAERN COc1cccnc1[C@H](O)C(C)C 235084592 572489240 /nfs/dbraw/zinc/48/92/40/572489240.db2.gz MKFHWGIJQLQLSS-SNVBAGLBSA-N 0 0 181.235 1.780 10 0 ADAERN C[NH2+]Cc1c(C(C)(C)C)[n-]n(C)c1=O 250600237 572489273 /nfs/dbraw/zinc/48/92/73/572489273.db2.gz YHNPLNJZWUESOZ-UHFFFAOYSA-N 0 0 197.282 1.143 10 0 ADAERN Cc1cnc(-c2noc([C@@H](C)N)n2)o1 74247098 572489508 /nfs/dbraw/zinc/48/95/08/572489508.db2.gz PIBLKBXPWCAWKO-RXMQYKEDSA-N 0 0 194.194 1.053 10 0 ADAERN CCOC(=O)c1ccccc1CCO 238267476 572489510 /nfs/dbraw/zinc/48/95/10/572489510.db2.gz GOZCPUSXDUVWPG-UHFFFAOYSA-N 0 0 194.230 1.398 10 0 ADAERN COC[C@H](C(C)C)n1ncc(C)c1N 87481954 572489345 /nfs/dbraw/zinc/48/93/45/572489345.db2.gz HWXYARWSRHLYTD-SECBINFHSA-N 0 0 197.282 1.617 10 0 ADAERN COc1cccnc1[C@H](O)C(F)F 235084672 572489352 /nfs/dbraw/zinc/48/93/52/572489352.db2.gz WWGDHJCDJOZTJY-ZETCQYMHSA-N 0 0 189.161 1.389 10 0 ADAERN CCOC(=O)[C@H]1C[C@H]1c1ncccn1 238269433 572489358 /nfs/dbraw/zinc/48/93/58/572489358.db2.gz NYTVCWORDDWGDC-SFYZADRCSA-N 0 0 192.218 1.143 10 0 ADAERN CO[C@@H]1CCC[C@@](O)(C(F)F)C1 234759091 572489377 /nfs/dbraw/zinc/48/93/77/572489377.db2.gz XUEGZURTXUQSJO-SVRRBLITSA-N 0 0 180.194 1.572 10 0 ADAERN C[N@@H+]1CCC[C@@H](C(=O)[O-])[C@H]1CC1CC1 250605538 572489380 /nfs/dbraw/zinc/48/93/80/572489380.db2.gz LCOAYJBSRUYWGK-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN CCCCc1cccnc1CO 238266017 572489407 /nfs/dbraw/zinc/48/94/07/572489407.db2.gz OWSIGNMJXSWXGB-UHFFFAOYSA-N 0 0 165.236 1.917 10 0 ADAERN CCC[C@H](OC(C)=O)C(=O)CC 238267306 572489537 /nfs/dbraw/zinc/48/95/37/572489537.db2.gz KXHLVVPRLDZJGQ-VIFPVBQESA-N 0 0 172.224 1.697 10 0 ADAERN CC[C@@H]1CC[C@H](COC(C)=O)O1 238265780 572489545 /nfs/dbraw/zinc/48/95/45/572489545.db2.gz QCQRELGGPMEJBE-RKDXNWHRSA-N 0 0 172.224 1.507 10 0 ADAERN Cc1cnc(-c2noc([C@H](C)N)n2)o1 74247099 572489582 /nfs/dbraw/zinc/48/95/82/572489582.db2.gz PIBLKBXPWCAWKO-YFKPBYRVSA-N 0 0 194.194 1.053 10 0 ADAERN CC[C@@H](O)C(CC)(CC)OC(C)=O 238266690 572489613 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172.224 1.077 10 0 ADAERN CCC[C@H](O)/C=C/[C@@H](O)CCC 238266431 572491589 /nfs/dbraw/zinc/49/15/89/572491589.db2.gz BXHJMGQEUSQVEF-GOPXOUGQSA-N 0 0 172.268 1.865 10 0 ADAERN CCC[C@H](O)[C@](C)(OC)[C@@H](O)CC 238265988 572491597 /nfs/dbraw/zinc/49/15/97/572491597.db2.gz TUSRYCFQVJRALO-LPEHRKFASA-N 0 0 190.283 1.323 10 0 ADAERN CCC(=O)Cn1nc(CC)nc1CC 84065871 572491598 /nfs/dbraw/zinc/49/15/98/572491598.db2.gz RIGGCXULEQEKRP-UHFFFAOYSA-N 0 0 195.266 1.382 10 0 ADAERN CCOCc1nc(CC)cc(NC)n1 84065092 572491603 /nfs/dbraw/zinc/49/16/03/572491603.db2.gz HYSBXVVMKWBUIG-UHFFFAOYSA-N 0 0 195.266 1.617 10 0 ADAERN CC[C@@H](C)COC[C@@H](O)COC 238267653 572491630 /nfs/dbraw/zinc/49/16/30/572491630.db2.gz UXIOXMVFSHNLCL-BDAKNGLRSA-N 0 0 176.256 1.056 10 0 ADAERN CO[C@@H]1CCC[C@@](O)(C(C)C)C1 234758953 572491654 /nfs/dbraw/zinc/49/16/54/572491654.db2.gz BPUJCWULSIDWIW-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN COC[C@@H](C(C)C)n1nc(C)cc1N 87481963 572491669 /nfs/dbraw/zinc/49/16/69/572491669.db2.gz STRIYWKBIHWHQC-VIFPVBQESA-N 0 0 197.282 1.617 10 0 ADAERN Cc1coc(-c2oc(CN)nc2C)n1 74248617 572491687 /nfs/dbraw/zinc/49/16/87/572491687.db2.gz JYUIDYRPKBBNKG-UHFFFAOYSA-N 0 0 193.206 1.405 10 0 ADAERN CCN[C@@H](C)c1nc(COCC)no1 84065405 572491712 /nfs/dbraw/zinc/49/17/12/572491712.db2.gz BSBORZGOGUWSIE-ZETCQYMHSA-N 0 0 199.254 1.277 10 0 ADAERN CC[C@H](N)c1nnc([C@H](O)C(C)C)o1 238266206 572491735 /nfs/dbraw/zinc/49/17/35/572491735.db2.gz PNNWDNOHRLNGDW-NKWVEPMBSA-N 0 0 199.254 1.169 10 0 ADAERN CCOCc1nc(N)cc(CC)n1 84065078 572491738 /nfs/dbraw/zinc/49/17/38/572491738.db2.gz JACOVFRUVPLFCW-UHFFFAOYSA-N 0 0 181.239 1.158 10 0 ADAERN CO[C@H](CCO)c1ccccc1 117254264 572491749 /nfs/dbraw/zinc/49/17/49/572491749.db2.gz JEZYKPSREKPMLJ-SNVBAGLBSA-N 0 0 166.220 1.757 10 0 ADAERN COC[C@@H](Nn1cccc1)C(C)C 87481674 572491758 /nfs/dbraw/zinc/49/17/58/572491758.db2.gz CPSPZEOLWYZZRQ-SNVBAGLBSA-N 0 0 182.267 1.703 10 0 ADAERN CC[C@@H](C)COC(=O)C(C)=O 238267185 572491769 /nfs/dbraw/zinc/49/17/69/572491769.db2.gz LERVACHQBDKLKU-ZCFIWIBFSA-N 0 0 158.197 1.165 10 0 ADAERN CCC[C@H](O)/C=C/SC(C)=O 238266413 572491794 /nfs/dbraw/zinc/49/17/94/572491794.db2.gz DLLAAMLRIJZDKJ-GJIOHYHPSA-N 0 0 174.265 1.941 10 0 ADAERN CCOc1sc(C=O)cc1C=O 238267706 572491819 /nfs/dbraw/zinc/49/18/19/572491819.db2.gz FDDAHUWKSVPKFY-UHFFFAOYSA-N 0 0 184.216 1.772 10 0 ADAERN COC[C@H](C(C)C)n1nc(C)cc1N 87481966 572491830 /nfs/dbraw/zinc/49/18/30/572491830.db2.gz STRIYWKBIHWHQC-SECBINFHSA-N 0 0 197.282 1.617 10 0 ADAERN COC[C@@H](C1CC1)n1ncc(C)c1N 87481945 572491862 /nfs/dbraw/zinc/49/18/62/572491862.db2.gz CEGWGYIFRBQKGR-VIFPVBQESA-N 0 0 195.266 1.371 10 0 ADAERN C[N@@H+]1CC[C@@H]2CCC[C@H](C(=O)[O-])[C@H]21 250606615 572492172 /nfs/dbraw/zinc/49/21/72/572492172.db2.gz LKVUDITZAYJOCQ-CIUDSAMLSA-N 0 0 183.251 1.191 10 0 ADAERN COC[C@H](Nc1cn[nH]c1)C1CC1 87478324 572491874 /nfs/dbraw/zinc/49/18/74/572491874.db2.gz CYKSVVBLNPZHSM-VIFPVBQESA-N 0 0 181.239 1.247 10 0 ADAERN N[C@H](c1ccno1)[C@@H](O)c1ccco1 74247140 572491883 /nfs/dbraw/zinc/49/18/83/572491883.db2.gz MVXDQNAQXKKDIL-BDAKNGLRSA-N 0 0 194.190 1.001 10 0 ADAERN N[C@@H](c1ccno1)[C@@H](O)c1ccco1 74247142 572491901 /nfs/dbraw/zinc/49/19/01/572491901.db2.gz MVXDQNAQXKKDIL-IUCAKERBSA-N 0 0 194.190 1.001 10 0 ADAERN CC[C@@H](N)c1nc(-c2ncco2)no1 74247067 572491927 /nfs/dbraw/zinc/49/19/27/572491927.db2.gz KSDMIGWOJLVGKP-RXMQYKEDSA-N 0 0 194.194 1.134 10 0 ADAERN C=C/C(=C\CO)CCCOCC 238267654 572491938 /nfs/dbraw/zinc/49/19/38/572491938.db2.gz GNYGKYVXGVQTFT-JXMROGBWSA-N 0 0 170.252 1.908 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@@H](C(=O)[O-])C[C@H]21 250608434 572491946 /nfs/dbraw/zinc/49/19/46/572491946.db2.gz LYOGFQWFWGODIA-IWSPIJDZSA-N 0 0 183.251 1.191 10 0 ADAERN C[N@@H+]1C[C@@H](C2CCCC2)[C@@H](C(=O)[O-])C1 250608919 572491974 /nfs/dbraw/zinc/49/19/74/572491974.db2.gz MCBSMDDWRFKXOY-UWVGGRQHSA-N 0 0 197.278 1.439 10 0 ADAERN COC[C@@H](Nc1cn[nH]c1)C1CC1 87478325 572491978 /nfs/dbraw/zinc/49/19/78/572491978.db2.gz CYKSVVBLNPZHSM-SECBINFHSA-N 0 0 181.239 1.247 10 0 ADAERN CCCNc1nc(COCC)no1 84065150 572491982 /nfs/dbraw/zinc/49/19/82/572491982.db2.gz FIZZRXNRESKGBY-UHFFFAOYSA-N 0 0 185.227 1.428 10 0 ADAERN COC[C@H](Nc1ccn(C)n1)C1CC1 87478916 572492446 /nfs/dbraw/zinc/49/24/46/572492446.db2.gz GAGBAEGDHPYMGW-VIFPVBQESA-N 0 0 195.266 1.257 10 0 ADAERN Cc1conc1-c1noc([C@@H](C)N)n1 74247068 572492051 /nfs/dbraw/zinc/49/20/51/572492051.db2.gz WPZKDGNVKIPPMP-RXMQYKEDSA-N 0 0 194.194 1.053 10 0 ADAERN CCOCCC[C@H](O)c1ccccn1 238267574 572492066 /nfs/dbraw/zinc/49/20/66/572492066.db2.gz NFCNYQUFCIEYAQ-NSHDSACASA-N 0 0 195.262 1.932 10 0 ADAERN Cc1coc(-c2noc([C@@H](C)N)n2)n1 74247111 572492067 /nfs/dbraw/zinc/49/20/67/572492067.db2.gz LDJXLKJFJWJUJP-RXMQYKEDSA-N 0 0 194.194 1.053 10 0 ADAERN Cc1cc(-c2noc([C@H](C)N)n2)on1 74247104 572492094 /nfs/dbraw/zinc/49/20/94/572492094.db2.gz IHWGRXXKXVMVMB-YFKPBYRVSA-N 0 0 194.194 1.053 10 0 ADAERN CC[C@H]1C[C@H](CCC(=O)[O-])[N@H+](C)C1 238265966 572492100 /nfs/dbraw/zinc/49/21/00/572492100.db2.gz FOAZJXRQWZXINS-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1oncc1-c1noc([C@@H](C)N)n1 74247096 572492103 /nfs/dbraw/zinc/49/21/03/572492103.db2.gz VDRBEUBYYUZIBJ-SCSAIBSYSA-N 0 0 194.194 1.053 10 0 ADAERN COC[C@@H](C(C)C)n1ncc(C)c1N 87481951 572492129 /nfs/dbraw/zinc/49/21/29/572492129.db2.gz HWXYARWSRHLYTD-VIFPVBQESA-N 0 0 197.282 1.617 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@H](C(=O)[O-])CC[C@H]21 250595960 572492144 /nfs/dbraw/zinc/49/21/44/572492144.db2.gz IQXQLRUHWNWPSO-OPRDCNLKSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)c1cc(-c2nc(N)no2)n[nH]1 74248420 572492155 /nfs/dbraw/zinc/49/21/55/572492155.db2.gz VZSQFLKTPHSXMN-UHFFFAOYSA-N 0 0 193.210 1.165 10 0 ADAERN C[C@H]1CC[C@](C(=O)[O-])([NH+](C)C)[C@@H](C)C1 222368614 572492203 /nfs/dbraw/zinc/49/22/03/572492203.db2.gz LMFOTFMYGVDNBX-QXEWZRGKSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1c(C[C@H]2CC[C@@H](O)C2)cnn1C 689733938 572492229 /nfs/dbraw/zinc/49/22/29/572492229.db2.gz RKOHOESADYUDJQ-MWLCHTKSSA-N 0 0 194.278 1.432 10 0 ADAERN CC[C@H](N)c1nc(-c2ncco2)no1 74247066 572492238 /nfs/dbraw/zinc/49/22/38/572492238.db2.gz KSDMIGWOJLVGKP-YFKPBYRVSA-N 0 0 194.194 1.134 10 0 ADAERN CC[C@@H](C)C[C@@H](NC#N)C(=O)OC 238269357 572492247 /nfs/dbraw/zinc/49/22/47/572492247.db2.gz DMLVYOWULSIQLJ-HTQZYQBOSA-N 0 0 184.239 1.035 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])/C=C/[C@@H](C)C(=O)[O-] 238265748 572492258 /nfs/dbraw/zinc/49/22/58/572492258.db2.gz LPUQCRUHJPNOPE-DRMHTSOKSA-N 0 0 185.267 1.637 10 0 ADAERN CCOCCC[C@@H](O)c1ccccn1 238267378 572492268 /nfs/dbraw/zinc/49/22/68/572492268.db2.gz NFCNYQUFCIEYAQ-LLVKDONJSA-N 0 0 195.262 1.932 10 0 ADAERN CCc1nc(CC)n([C@@H](C)[C@H](C)O)n1 84065935 572492305 /nfs/dbraw/zinc/49/23/05/572492305.db2.gz ALUXNAMZQJPMED-YUMQZZPRSA-N 0 0 197.282 1.345 10 0 ADAERN CC[C@@H]([NH2+][C@H]1CC=CCC1)C(=O)[O-] 84067777 572492318 /nfs/dbraw/zinc/49/23/18/572492318.db2.gz SOQCYNWOPJUJDG-DTWKUNHWSA-N 0 0 183.251 1.548 10 0 ADAERN CC[C@@H](O)C(C)(C)[C@H](O)n1cccc1 238266654 572492373 /nfs/dbraw/zinc/49/23/73/572492373.db2.gz BNSFDTKAAAOTPW-ZJUUUORDSA-N 0 0 197.278 1.776 10 0 ADAERN CO[C@H](c1nc(O)c[nH]1)C1CC1 234759198 572492389 /nfs/dbraw/zinc/49/23/89/572492389.db2.gz HBEZPQDVYBHZBD-ZETCQYMHSA-N 0 0 168.196 1.213 10 0 ADAERN CCCCc1cnc(=O)[nH]c1SN 238266241 572492392 /nfs/dbraw/zinc/49/23/92/572492392.db2.gz KYCBLTCXWJGIFP-UHFFFAOYSA-N 0 0 199.279 1.078 10 0 ADAERN COC[C@H](C(C)C)n1nccc1N 87481939 572492415 /nfs/dbraw/zinc/49/24/15/572492415.db2.gz DGNPZNKFMNUVIQ-MRVPVSSYSA-N 0 0 183.255 1.309 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C1CCC1 250631343 572492457 /nfs/dbraw/zinc/49/24/57/572492457.db2.gz RFADJIZXEJSCGA-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN C/C=C/CO[C@H](C(=O)OC)C1CC1 84090305 572492467 /nfs/dbraw/zinc/49/24/67/572492467.db2.gz PAFAVYRNTIOXTO-NWALNABHSA-N 0 0 184.235 1.531 10 0 ADAERN N[C@H](c1ccco1)[C@H](O)c1cnoc1 74247145 572492530 /nfs/dbraw/zinc/49/25/30/572492530.db2.gz HXQBEQLNDWPHDY-RKDXNWHRSA-N 0 0 194.190 1.001 10 0 ADAERN CCS[C@@H](C(=O)OC)C1CC1 84090823 572492544 /nfs/dbraw/zinc/49/25/44/572492544.db2.gz RXDFYYAECMNISK-SSDOTTSWSA-N 0 0 174.265 1.691 10 0 ADAERN CC[C@@H](O)C/C=C(/C)C(=O)OC 238267094 572492562 /nfs/dbraw/zinc/49/25/62/572492562.db2.gz VVLLAGUCNUVKNR-GRKOMRHMSA-N 0 0 172.224 1.267 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+][C@@H]1CC=CCC1 84066751 572492597 /nfs/dbraw/zinc/49/25/97/572492597.db2.gz YGKFIPYARJHPEA-VHSXEESVSA-N 0 0 197.278 1.938 10 0 ADAERN CON[C@H](C)c1ccc(O)cc1F 234748993 572492614 /nfs/dbraw/zinc/49/26/14/572492614.db2.gz AETTYISMXWYNSN-ZCFIWIBFSA-N 0 0 185.198 1.743 10 0 ADAERN CCC[Si](C)(CO)c1ccccc1 238265911 572492618 /nfs/dbraw/zinc/49/26/18/572492618.db2.gz BCDKFOSMNLKZRH-UHFFFAOYSA-N 0 0 194.350 1.914 10 0 ADAERN CCNC(=CC(=O)OCC)C(F)F 238266050 572492622 /nfs/dbraw/zinc/49/26/22/572492622.db2.gz WVHUXYLGNYLOPS-AATRIKPKSA-N 0 0 193.193 1.308 10 0 ADAERN C[N@@H+]1CC[C@@H]2CCC[C@@H](C(=O)[O-])[C@H]21 250606619 572493154 /nfs/dbraw/zinc/49/31/54/572493154.db2.gz LKVUDITZAYJOCQ-YIZRAAEISA-N 0 0 183.251 1.191 10 0 ADAERN Cc1cc(-c2noc([C@@H](C)N)n2)on1 74247103 572492642 /nfs/dbraw/zinc/49/26/42/572492642.db2.gz IHWGRXXKXVMVMB-RXMQYKEDSA-N 0 0 194.194 1.053 10 0 ADAERN CCCCc1nc(C)nc(NCC)n1 238267190 572492659 /nfs/dbraw/zinc/49/26/59/572492659.db2.gz WMPNTZHBMLSCTQ-UHFFFAOYSA-N 0 0 194.282 1.954 10 0 ADAERN CCNC(=CC(=O)OCC)CC 238266456 572492665 /nfs/dbraw/zinc/49/26/65/572492665.db2.gz DLDAAVMYXQXKKG-FPLPWBNLSA-N 0 0 171.240 1.453 10 0 ADAERN CC/C=C\C(=O)OCOC 307774501 572492671 /nfs/dbraw/zinc/49/26/71/572492671.db2.gz FTXGVXFAJVTPJI-PLNGDYQASA-N 0 0 144.170 1.100 10 0 ADAERN C[C@H](C[NH2+][C@@H]1CC=CCC1)C(=O)[O-] 84067532 572492679 /nfs/dbraw/zinc/49/26/79/572492679.db2.gz RACOIKSXFZNLSI-RKDXNWHRSA-N 0 0 183.251 1.405 10 0 ADAERN CC[C@@H](CCO)c1ccccn1 238267589 572492681 /nfs/dbraw/zinc/49/26/81/572492681.db2.gz OOFBBHLBDNWWDY-VIFPVBQESA-N 0 0 165.236 1.958 10 0 ADAERN CCC/C(=C/C[C@@H](C)O)C(=O)OC 238266440 572492702 /nfs/dbraw/zinc/49/27/02/572492702.db2.gz OFKWLCPFTPDOIM-XZZQCUQZSA-N 0 0 186.251 1.657 10 0 ADAERN COC[C@@H](Nc1cnn(C)c1)C1CC1 87478306 572492711 /nfs/dbraw/zinc/49/27/11/572492711.db2.gz IDYDVVXHDCVQOB-SNVBAGLBSA-N 0 0 195.266 1.257 10 0 ADAERN CCC[C@H](O)/C=C/[C@H](O)CCC 238266470 572492726 /nfs/dbraw/zinc/49/27/26/572492726.db2.gz BXHJMGQEUSQVEF-JKEVLIGASA-N 0 0 172.268 1.865 10 0 ADAERN CCCOc1ccnc(CCO)c1 238265943 572492731 /nfs/dbraw/zinc/49/27/31/572492731.db2.gz JRMHGRVFQXJGCD-UHFFFAOYSA-N 0 0 181.235 1.405 10 0 ADAERN COC(=O)[C@H](OCC1CC1)C1CC1 84089780 572492740 /nfs/dbraw/zinc/49/27/40/572492740.db2.gz IVMFHSBYZKZQPD-SECBINFHSA-N 0 0 184.235 1.365 10 0 ADAERN N[C@@H](c1ccco1)[C@H](O)c1cnoc1 74247144 572492749 /nfs/dbraw/zinc/49/27/49/572492749.db2.gz HXQBEQLNDWPHDY-DTWKUNHWSA-N 0 0 194.190 1.001 10 0 ADAERN COC(=O)[C@H](C)N[C@H]1CC=CCC1 84067533 572492753 /nfs/dbraw/zinc/49/27/53/572492753.db2.gz VEKDQSWOPCRSOT-IUCAKERBSA-N 0 0 183.251 1.246 10 0 ADAERN Cc1c(F)cccc1C(N)=S 44960012 572501479 /nfs/dbraw/zinc/50/14/79/572501479.db2.gz LMMJVTNEWWQZIS-UHFFFAOYSA-N 0 0 169.224 1.768 10 0 ADAERN COC[C@@H](Nc1cn[nH]c1)C(C)C 87478322 572492811 /nfs/dbraw/zinc/49/28/11/572492811.db2.gz KWBBFPDNLIPHSO-SECBINFHSA-N 0 0 183.255 1.493 10 0 ADAERN N[C@@H](c1ccco1)[C@@H](O)c1cnoc1 74247146 572492827 /nfs/dbraw/zinc/49/28/27/572492827.db2.gz HXQBEQLNDWPHDY-IUCAKERBSA-N 0 0 194.190 1.001 10 0 ADAERN COC[C@@H](Nn1cccc1)C1CC1 87481682 572492854 /nfs/dbraw/zinc/49/28/54/572492854.db2.gz WQZNLHSKVKRLPP-SNVBAGLBSA-N 0 0 180.251 1.457 10 0 ADAERN CCCO[C@@H](C(=O)OC)C1CC1 84090070 572492860 /nfs/dbraw/zinc/49/28/60/572492860.db2.gz LMAAIMLPJYHZKV-MRVPVSSYSA-N 0 0 172.224 1.365 10 0 ADAERN N[C@H](c1ccno1)[C@H](O)c1ccco1 74247141 572492891 /nfs/dbraw/zinc/49/28/91/572492891.db2.gz MVXDQNAQXKKDIL-RKDXNWHRSA-N 0 0 194.190 1.001 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+][C@H]1CC=CCC1 84066749 572492907 /nfs/dbraw/zinc/49/29/07/572492907.db2.gz YGKFIPYARJHPEA-UWVGGRQHSA-N 0 0 197.278 1.938 10 0 ADAERN N[C@@H](c1cocn1)[C@H](O)c1ccco1 74247139 572492910 /nfs/dbraw/zinc/49/29/10/572492910.db2.gz OYEJUYVTWSFDFQ-DTWKUNHWSA-N 0 0 194.190 1.001 10 0 ADAERN Cc1ncoc1-c1noc([C@H](C)N)n1 74247102 572492921 /nfs/dbraw/zinc/49/29/21/572492921.db2.gz YTRCEMRVWYHHHJ-BYPYZUCNSA-N 0 0 194.194 1.053 10 0 ADAERN CCCc1c(OCC)nc(=O)[nH]c1C 238268779 572493580 /nfs/dbraw/zinc/49/35/80/572493580.db2.gz OHTUNNDNQSCDEH-UHFFFAOYSA-N 0 0 196.250 1.430 10 0 ADAERN COC[C@H](Nn1cccc1)C(C)C 87481677 572492949 /nfs/dbraw/zinc/49/29/49/572492949.db2.gz CPSPZEOLWYZZRQ-JTQLQIEISA-N 0 0 182.267 1.703 10 0 ADAERN Cc1nocc1-c1noc([C@H](C)N)n1 74247073 572492996 /nfs/dbraw/zinc/49/29/96/572492996.db2.gz UOLDFXHNASJERF-BYPYZUCNSA-N 0 0 194.194 1.053 10 0 ADAERN N[C@@H](c1cocn1)[C@@H](O)c1ccco1 74247138 572493011 /nfs/dbraw/zinc/49/30/11/572493011.db2.gz OYEJUYVTWSFDFQ-IUCAKERBSA-N 0 0 194.190 1.001 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+][C@H]1CC=CCC1 84066750 572493012 /nfs/dbraw/zinc/49/30/12/572493012.db2.gz YGKFIPYARJHPEA-ZJUUUORDSA-N 0 0 197.278 1.938 10 0 ADAERN C[N@H+]1C[C@H](C(=O)[O-])[C@@H](C2CCCC2)C1 250608921 572493056 /nfs/dbraw/zinc/49/30/56/572493056.db2.gz MCBSMDDWRFKXOY-ZJUUUORDSA-N 0 0 197.278 1.439 10 0 ADAERN Cc1c(C[C@@H]2CC[C@@H](O)C2)cnn1C 689733934 572493078 /nfs/dbraw/zinc/49/30/78/572493078.db2.gz RKOHOESADYUDJQ-GXSJLCMTSA-N 0 0 194.278 1.432 10 0 ADAERN N[C@H](c1cocn1)[C@H](O)c1ccco1 74247137 572493105 /nfs/dbraw/zinc/49/31/05/572493105.db2.gz OYEJUYVTWSFDFQ-RKDXNWHRSA-N 0 0 194.190 1.001 10 0 ADAERN Cc1oncc1-c1noc([C@H](C)N)n1 74247097 572493126 /nfs/dbraw/zinc/49/31/26/572493126.db2.gz VDRBEUBYYUZIBJ-BYPYZUCNSA-N 0 0 194.194 1.053 10 0 ADAERN CC[NH2+]Cc1oc(CC)nc1CC 238268149 572493161 /nfs/dbraw/zinc/49/31/61/572493161.db2.gz QDZPQPUTVFFBEK-UHFFFAOYSA-N 0 0 182.267 1.909 10 0 ADAERN CCOC(=O)CC[C@H]1CCC[C@@H]1O 238269128 572493186 /nfs/dbraw/zinc/49/31/86/572493186.db2.gz BAVJVOXIEVUADS-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN CCOc1cc(N)nc(OCC)c1 238268893 572493192 /nfs/dbraw/zinc/49/31/92/572493192.db2.gz ZHRLKGOURRYMHH-UHFFFAOYSA-N 0 0 182.223 1.461 10 0 ADAERN CON[C@@H]1CCCc2ccc(O)cc21 234747078 572493678 /nfs/dbraw/zinc/49/36/78/572493678.db2.gz MVAYLTXOBUICRC-LLVKDONJSA-N 0 0 193.246 1.921 10 0 ADAERN COC[C@@H](Nc1ccn(C)n1)C(C)C 87478910 572493221 /nfs/dbraw/zinc/49/32/21/572493221.db2.gz LDFDOURTNIIPEK-SECBINFHSA-N 0 0 197.282 1.503 10 0 ADAERN C/C=C/CO[C@@H](C(=O)OC)C1CC1 84090308 572493237 /nfs/dbraw/zinc/49/32/37/572493237.db2.gz PAFAVYRNTIOXTO-CDAZIORVSA-N 0 0 184.235 1.531 10 0 ADAERN CCCCc1ncc(CO)c(C)n1 238268285 572493265 /nfs/dbraw/zinc/49/32/65/572493265.db2.gz JNJRONNKXJRFLC-UHFFFAOYSA-N 0 0 180.251 1.620 10 0 ADAERN C[C@@H](C[NH2+][C@H]1CC=CCC1)C(=O)[O-] 84067529 572493284 /nfs/dbraw/zinc/49/32/84/572493284.db2.gz RACOIKSXFZNLSI-IUCAKERBSA-N 0 0 183.251 1.405 10 0 ADAERN CCOC(=O)N1CC(CC)=C[C@H](O)C1 238267778 572493293 /nfs/dbraw/zinc/49/32/93/572493293.db2.gz BFXIJJVDZBNBFV-VIFPVBQESA-N 0 0 199.250 1.156 10 0 ADAERN CCOC(=O)[C@H]1C[C@@H]1c1ncccn1 238268096 572493301 /nfs/dbraw/zinc/49/33/01/572493301.db2.gz NYTVCWORDDWGDC-YUMQZZPRSA-N 0 0 192.218 1.143 10 0 ADAERN CCc1nc(CC)n([C@@H](C)[C@@H](C)O)n1 84065933 572493305 /nfs/dbraw/zinc/49/33/05/572493305.db2.gz ALUXNAMZQJPMED-JGVFFNPUSA-N 0 0 197.282 1.345 10 0 ADAERN COC[C@@H](Nc1ccn(C)n1)C1CC1 87478919 572493324 /nfs/dbraw/zinc/49/33/24/572493324.db2.gz GAGBAEGDHPYMGW-SECBINFHSA-N 0 0 195.266 1.257 10 0 ADAERN C=Cc1nnc([C@H](N)[C@H](C)CC)o1 238268966 572493331 /nfs/dbraw/zinc/49/33/31/572493331.db2.gz UGQSXDDRULPXFN-HTRCEHHLSA-N 0 0 181.239 1.759 10 0 ADAERN O=C([O-])CCC[NH2+][C@H]1CC=CCC1 84067881 572493343 /nfs/dbraw/zinc/49/33/43/572493343.db2.gz DKMSAZAUUSJNJU-VIFPVBQESA-N 0 0 183.251 1.550 10 0 ADAERN O=C([O-])CCC[NH2+][C@@H]1CC=CCC1 84067879 572493374 /nfs/dbraw/zinc/49/33/74/572493374.db2.gz DKMSAZAUUSJNJU-SECBINFHSA-N 0 0 183.251 1.550 10 0 ADAERN Cc1ncoc1-c1oc(CN)nc1C 74248612 572493385 /nfs/dbraw/zinc/49/33/85/572493385.db2.gz LQGFQACIMPWLJP-UHFFFAOYSA-N 0 0 193.206 1.405 10 0 ADAERN O=C([O-])CC[NH2+][C@@H]1CC=CCC1 84067746 572493450 /nfs/dbraw/zinc/49/34/50/572493450.db2.gz OKBOPFDEYCXZEC-MRVPVSSYSA-N 0 0 169.224 1.159 10 0 ADAERN COC(=O)[C@@H](OC(C)C)C1CC1 84089665 572493456 /nfs/dbraw/zinc/49/34/56/572493456.db2.gz ZCFQEHUVKXNPAQ-QMMMGPOBSA-N 0 0 172.224 1.363 10 0 ADAERN CC(C)OC(=O)CN[C@H]1CC=CCC1 84067661 572493472 /nfs/dbraw/zinc/49/34/72/572493472.db2.gz OYXBFBFQXQFOCI-JTQLQIEISA-N 0 0 197.278 1.636 10 0 ADAERN N[C@H](c1ccco1)[C@@H](O)c1cnoc1 74247147 572493510 /nfs/dbraw/zinc/49/35/10/572493510.db2.gz HXQBEQLNDWPHDY-BDAKNGLRSA-N 0 0 194.190 1.001 10 0 ADAERN COC[C@@H](Nc1cccnc1)C1CC1 87476856 572493481 /nfs/dbraw/zinc/49/34/81/572493481.db2.gz SVJXIWYERQRKGH-LLVKDONJSA-N 0 0 192.262 1.919 10 0 ADAERN C=C/C=C/CC[C@@H]1CCC(=O)NC1=O 713718069 572493506 /nfs/dbraw/zinc/49/35/06/572493506.db2.gz KYZZWJORQJKGOY-CDAZIORVSA-N 0 0 193.246 1.562 10 0 ADAERN CC[C@@H](O)C/C(C)=C/C(=O)OC 238268667 572493507 /nfs/dbraw/zinc/49/35/07/572493507.db2.gz PLAPRRUGKGUGTK-HYDMIIDASA-N 0 0 172.224 1.267 10 0 ADAERN COC[C@H](Nc1ccn(C)n1)C(C)C 87478913 572493564 /nfs/dbraw/zinc/49/35/64/572493564.db2.gz LDFDOURTNIIPEK-VIFPVBQESA-N 0 0 197.282 1.503 10 0 ADAERN CC[C@H]([NH2+][C@@H]1CC=CCC1)C(=O)[O-] 84067779 572493570 /nfs/dbraw/zinc/49/35/70/572493570.db2.gz SOQCYNWOPJUJDG-BDAKNGLRSA-N 0 0 183.251 1.548 10 0 ADAERN N[C@H](c1cocn1)[C@@H](O)c1ccco1 74247136 572493588 /nfs/dbraw/zinc/49/35/88/572493588.db2.gz OYEJUYVTWSFDFQ-BDAKNGLRSA-N 0 0 194.190 1.001 10 0 ADAERN CC[C@@H]([NH2+][C@@H]1CC=CCC1)C(=O)[O-] 84067781 572493618 /nfs/dbraw/zinc/49/36/18/572493618.db2.gz SOQCYNWOPJUJDG-RKDXNWHRSA-N 0 0 183.251 1.548 10 0 ADAERN Cc1cc(-c2oc(CN)nc2C)no1 74248615 572493652 /nfs/dbraw/zinc/49/36/52/572493652.db2.gz CVGAANCKGWSHJV-UHFFFAOYSA-N 0 0 193.206 1.405 10 0 ADAERN CONC(=O)/C(C)=C/c1ccccc1 62319843 572493751 /nfs/dbraw/zinc/49/37/51/572493751.db2.gz WTSATJGNHTYQIO-CMDGGOBGSA-N 0 0 191.230 1.768 10 0 ADAERN CON[C@H](C)c1cc(O)cc(O)c1 234748828 572493759 /nfs/dbraw/zinc/49/37/59/572493759.db2.gz MRAHCGOUGYLFSN-ZCFIWIBFSA-N 0 0 183.207 1.310 10 0 ADAERN CCc1nc(CC)n([C@H](C)[C@H](C)O)n1 84065936 572493790 /nfs/dbraw/zinc/49/37/90/572493790.db2.gz ALUXNAMZQJPMED-SFYZADRCSA-N 0 0 197.282 1.345 10 0 ADAERN CCC[C@H](OCC)[C@@H](O)C(C)=O 238268056 572493825 /nfs/dbraw/zinc/49/38/25/572493825.db2.gz IVXKWDFLZSCIGK-IUCAKERBSA-N 0 0 174.240 1.142 10 0 ADAERN COC[C@@H](Nc1cnn(C)c1)C(C)C 87478300 572493829 /nfs/dbraw/zinc/49/38/29/572493829.db2.gz GJIZVZIOXUBNNP-SNVBAGLBSA-N 0 0 197.282 1.503 10 0 ADAERN O=C([O-])[C@H]1CCC[N@@H+]1Cc1ccc[nH]1 74246586 572493833 /nfs/dbraw/zinc/49/38/33/572493833.db2.gz XDIVXBCICFRCKE-SECBINFHSA-N 0 0 194.234 1.064 10 0 ADAERN Cc1coc(-c2cnc([C@@H](C)N)o2)n1 74248631 572493843 /nfs/dbraw/zinc/49/38/43/572493843.db2.gz RTZYCMGUDNUSON-ZCFIWIBFSA-N 0 0 193.206 1.658 10 0 ADAERN CC(C)COC(=O)NCc1c[nH]cn1 84081855 572493926 /nfs/dbraw/zinc/49/39/26/572493926.db2.gz YUEQFWKQSLDFGO-UHFFFAOYSA-N 0 0 197.238 1.292 10 0 ADAERN COC(=O)[C@@H](OC1CCC1)C1CC1 84090285 572493906 /nfs/dbraw/zinc/49/39/06/572493906.db2.gz WOBFCNVBIGOBRF-VIFPVBQESA-N 0 0 184.235 1.507 10 0 ADAERN CCOC(=O)CC[C@@H]1CCC[C@@H]1O 238267971 572493917 /nfs/dbraw/zinc/49/39/17/572493917.db2.gz BAVJVOXIEVUADS-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN CCCCc1nnc([C@H](N)COC)o1 238269000 572493923 /nfs/dbraw/zinc/49/39/23/572493923.db2.gz FLHMNIQOSHVCOW-SSDOTTSWSA-N 0 0 199.254 1.058 10 0 ADAERN CCC[C@@H](C(=O)OC(C)C)[C@@H](C)O 238269021 572493956 /nfs/dbraw/zinc/49/39/56/572493956.db2.gz KZKVMHZKNLZAHF-RKDXNWHRSA-N 0 0 188.267 1.735 10 0 ADAERN COC[C@H](Nc1cccnc1)C1CC1 87476853 572493937 /nfs/dbraw/zinc/49/39/37/572493937.db2.gz SVJXIWYERQRKGH-NSHDSACASA-N 0 0 192.262 1.919 10 0 ADAERN C[N@@H+]1CCC[C@@H]2C[C@H](C(=O)[O-])CC[C@@H]21 250595955 572494016 /nfs/dbraw/zinc/49/40/16/572494016.db2.gz IQXQLRUHWNWPSO-BBBLOLIVSA-N 0 0 197.278 1.582 10 0 ADAERN CCc1nnc([C@H](N)[C@H](C)CC)o1 238269010 572494031 /nfs/dbraw/zinc/49/40/31/572494031.db2.gz QNWKPRCUUCJEBD-HTRCEHHLSA-N 0 0 183.255 1.678 10 0 ADAERN CCOC(=O)[C@@H](C)N[C@@H]1CC=CCC1 84067334 572494067 /nfs/dbraw/zinc/49/40/67/572494067.db2.gz HTFYVELQTKCSSL-NXEZZACHSA-N 0 0 197.278 1.636 10 0 ADAERN CCc1nc(CC)n([C@H](C)[C@@H](C)O)n1 84065934 572494116 /nfs/dbraw/zinc/49/41/16/572494116.db2.gz ALUXNAMZQJPMED-HTQZYQBOSA-N 0 0 197.282 1.345 10 0 ADAERN CCS[C@H](C(=O)OC)C1CC1 84090819 572494213 /nfs/dbraw/zinc/49/42/13/572494213.db2.gz RXDFYYAECMNISK-ZETCQYMHSA-N 0 0 174.265 1.691 10 0 ADAERN COC(=O)[C@@H](C)N[C@@H]1CC=CCC1 84067536 572494180 /nfs/dbraw/zinc/49/41/80/572494180.db2.gz VEKDQSWOPCRSOT-RKDXNWHRSA-N 0 0 183.251 1.246 10 0 ADAERN COC(=O)[C@@H](OCC(C)C)C1CC1 84089654 572494201 /nfs/dbraw/zinc/49/42/01/572494201.db2.gz HSXJAWLBFOKVMH-VIFPVBQESA-N 0 0 186.251 1.611 10 0 ADAERN CC[C@@H](C)[C@@H]([NH3+])c1nc(C(=O)[O-])co1 238268891 572494207 /nfs/dbraw/zinc/49/42/07/572494207.db2.gz SONHSDNEYNWXII-IYSWYEEDSA-N 0 0 198.222 1.419 10 0 ADAERN C[C@H](C[NH2+][C@H]1CC=CCC1)C(=O)[O-] 84067530 572494229 /nfs/dbraw/zinc/49/42/29/572494229.db2.gz RACOIKSXFZNLSI-BDAKNGLRSA-N 0 0 183.251 1.405 10 0 ADAERN CCC[C@@H](C(N)=O)[C@@H](CC)OC 238269065 572494232 /nfs/dbraw/zinc/49/42/32/572494232.db2.gz GIAYUQBEUDCNHH-HTQZYQBOSA-N 0 0 173.256 1.313 10 0 ADAERN CCOC(=O)CN[C@@H]1CC=CCC1 84067610 572494250 /nfs/dbraw/zinc/49/42/50/572494250.db2.gz SFQSPOZXCOTGNG-SECBINFHSA-N 0 0 183.251 1.248 10 0 ADAERN CCCCc1ncc(CO)c(CC)n1 238268299 572494304 /nfs/dbraw/zinc/49/43/04/572494304.db2.gz MCFSVBIMKGDVLW-UHFFFAOYSA-N 0 0 194.278 1.874 10 0 ADAERN CCCCc1nn(C(C)(C)C)c(=O)[nH]1 238268671 572494368 /nfs/dbraw/zinc/49/43/68/572494368.db2.gz JLLBKBCXIXBZNT-UHFFFAOYSA-N 0 0 197.282 1.669 10 0 ADAERN COC(=O)[C@@H](OC(C)(C)C)C1CC1 84089831 572494390 /nfs/dbraw/zinc/49/43/90/572494390.db2.gz ZWASWFFMLFAURP-QMMMGPOBSA-N 0 0 186.251 1.753 10 0 ADAERN COC(=O)[C@@H](OCC1CC1)C1CC1 84089783 572494408 /nfs/dbraw/zinc/49/44/08/572494408.db2.gz IVMFHSBYZKZQPD-VIFPVBQESA-N 0 0 184.235 1.365 10 0 ADAERN CCCC[C@H](C)[NH2+][C@@H](C)c1nnn[n-]1 44926056 572494450 /nfs/dbraw/zinc/49/44/50/572494450.db2.gz QMHCOMFOXLFHMC-YUMQZZPRSA-N 0 0 197.286 1.429 10 0 ADAERN CCCCO[C@@H](C(=O)OC)C1CC1 84090085 572494475 /nfs/dbraw/zinc/49/44/75/572494475.db2.gz RZNNHHFTWYKNKS-SECBINFHSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)[C@H](OC1CCCC1)C1CC1 84089532 572494521 /nfs/dbraw/zinc/49/45/21/572494521.db2.gz FGTFWVJEVUVPLC-SNVBAGLBSA-N 0 0 198.262 1.897 10 0 ADAERN COC(=O)[C@@H](C)N[C@H]1CC=CCC1 84067534 572494558 /nfs/dbraw/zinc/49/45/58/572494558.db2.gz VEKDQSWOPCRSOT-BDAKNGLRSA-N 0 0 183.251 1.246 10 0 ADAERN CCCC(=O)[C@H](CCC)OC=O 238267935 572494579 /nfs/dbraw/zinc/49/45/79/572494579.db2.gz JVRRZYZKTYNKJI-VIFPVBQESA-N 0 0 172.224 1.697 10 0 ADAERN 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ADAERN CCCN1C(=O)[C@@H](C)N[C@@H]1C(C)C 139511289 572501194 /nfs/dbraw/zinc/50/11/94/572501194.db2.gz FRSHNRSVALJHMC-BDAKNGLRSA-N 0 0 184.283 1.199 10 0 ADAERN CCC[C@@H]1CNC(C)=C1C(=O)OCC 238272136 572501202 /nfs/dbraw/zinc/50/12/02/572501202.db2.gz URNGWUPDHVIJQL-SECBINFHSA-N 0 0 197.278 1.843 10 0 ADAERN CCCCC[N@H+](C)[C@H](C(=O)[O-])C1CC1 84093347 572501259 /nfs/dbraw/zinc/50/12/59/572501259.db2.gz PRMMEIKKKCDSSV-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CCC(CC)c1nnc(CN)s1 84117043 572501266 /nfs/dbraw/zinc/50/12/66/572501266.db2.gz FIIRFPBZTXEVLV-UHFFFAOYSA-N 0 0 185.296 1.900 10 0 ADAERN C[C@@H]([NH3+])Cc1cccc(CC(=O)[O-])c1 114471652 572501284 /nfs/dbraw/zinc/50/12/84/572501284.db2.gz XGYOUWKVHGQUMB-MRVPVSSYSA-N 0 0 193.246 1.203 10 0 ADAERN CCCN1C(=O)[C@H](C)N[C@H]1C(C)C 139511411 572501289 /nfs/dbraw/zinc/50/12/89/572501289.db2.gz FRSHNRSVALJHMC-DTWKUNHWSA-N 0 0 184.283 1.199 10 0 ADAERN CCCN1C(=O)[C@H](C)N[C@@H]1C(C)C 139511564 572501316 /nfs/dbraw/zinc/50/13/16/572501316.db2.gz FRSHNRSVALJHMC-IUCAKERBSA-N 0 0 184.283 1.199 10 0 ADAERN CC[C@H](C)[N@H+](CC)[C@H](C(=O)[O-])C1CC1 84093341 572501330 /nfs/dbraw/zinc/50/13/30/572501330.db2.gz QRGWKJGEAULXFV-WPRPVWTQSA-N 0 0 199.294 1.970 10 0 ADAERN CO/C(C)=C\[C@@H](O)C(C)C 307776599 572501340 /nfs/dbraw/zinc/50/13/40/572501340.db2.gz AEOAYYABFMUOQN-GRKOMRHMSA-N 0 0 144.214 1.554 10 0 ADAERN CCCCC[N@H+](C)[C@@H](C(=O)[O-])C1CC1 84093350 572501346 /nfs/dbraw/zinc/50/13/46/572501346.db2.gz PRMMEIKKKCDSSV-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)[C@@H](C)OC(=O)c1cc(N)c[nH]1 87468217 572501406 /nfs/dbraw/zinc/50/14/06/572501406.db2.gz HWLCIRHDMGDKDF-SSDOTTSWSA-N 0 0 196.250 1.798 10 0 ADAERN O=C1CCOC[C@@H]1CCCCF 308041869 572501411 /nfs/dbraw/zinc/50/14/11/572501411.db2.gz NSRPYJBAMTUCOI-QMMMGPOBSA-N 0 0 174.215 1.732 10 0 ADAERN CC[C@@H](NC)C(=O)O[C@H](C)C(C)C 87467953 572501432 /nfs/dbraw/zinc/50/14/32/572501432.db2.gz UUIOUBRZNURKKI-RKDXNWHRSA-N 0 0 187.283 1.572 10 0 ADAERN CC(C)[C@@H](C)OC(=O)c1cc(N)n[nH]1 87467841 572501471 /nfs/dbraw/zinc/50/14/71/572501471.db2.gz NLTSFDRRQXZFDQ-ZCFIWIBFSA-N 0 0 197.238 1.193 10 0 ADAERN O[C@H](C[C@H]1CCCOC1)c1ncc[nH]1 689653806 572501472 /nfs/dbraw/zinc/50/14/72/572501472.db2.gz NRLNUFOSLNPKFL-RKDXNWHRSA-N 0 0 196.250 1.260 10 0 ADAERN CC(C)[C@@H](C)OC(=O)CNC1CC1 87467964 572501510 /nfs/dbraw/zinc/50/15/10/572501510.db2.gz WCAPMUYOMQMHML-MRVPVSSYSA-N 0 0 185.267 1.326 10 0 ADAERN COC(=O)/C(F)=C/C(C)C 207698782 572501521 /nfs/dbraw/zinc/50/15/21/572501521.db2.gz JPGHJNLVENVWGL-XQRVVYSFSA-N 0 0 146.161 1.669 10 0 ADAERN CC(=O)OC[C@@H](C)[C@@H](O)C(C)C 308041998 572501534 /nfs/dbraw/zinc/50/15/34/572501534.db2.gz NUSPYTCQXZJPSG-APPZFPTMSA-N 0 0 174.240 1.203 10 0 ADAERN CC(C)[C@@H](C)OC(=O)c1n[nH]cc1N 87468269 572501552 /nfs/dbraw/zinc/50/15/52/572501552.db2.gz CKAXPHAVUNZLMB-ZCFIWIBFSA-N 0 0 197.238 1.193 10 0 ADAERN C[C@H](C1CC1)[N@H+](C)[C@H](C(=O)[O-])C1CC1 84093542 572501556 /nfs/dbraw/zinc/50/15/56/572501556.db2.gz SUVILHBGFBHRQQ-XCBNKYQSSA-N 0 0 197.278 1.580 10 0 ADAERN C[C@@H](c1cn[nH]c1)N1CCC(=O)CC1 74247889 572501581 /nfs/dbraw/zinc/50/15/81/572501581.db2.gz IUUYUCSSASUGCC-QMMMGPOBSA-N 0 0 193.250 1.136 10 0 ADAERN CC[C@H](C)[C@H](O)C(C)(C)[C@@H](C)O 238272229 572501604 /nfs/dbraw/zinc/50/16/04/572501604.db2.gz UEQBOCJXMAIPQH-YIZRAAEISA-N 0 0 174.284 1.800 10 0 ADAERN CCC[C@@H](C)[N@H+](C)[C@H](C(=O)[O-])C1CC1 84093584 572501609 /nfs/dbraw/zinc/50/16/09/572501609.db2.gz HUZPPRIWWUJOAC-SCZZXKLOSA-N 0 0 199.294 1.970 10 0 ADAERN O[C@@H](C[C@H]1CCCOC1)c1ncc[nH]1 689653794 572501691 /nfs/dbraw/zinc/50/16/91/572501691.db2.gz NRLNUFOSLNPKFL-BDAKNGLRSA-N 0 0 196.250 1.260 10 0 ADAERN Cc1cccc2c1OCCC[C@H]2NN 62567647 572501712 /nfs/dbraw/zinc/50/17/12/572501712.db2.gz FIXXAQDSSDABOK-SNVBAGLBSA-N 0 0 192.262 1.672 10 0 ADAERN Cc1c(CC2=C[C@@H](O)CC2)cnn1C 689735434 572501743 /nfs/dbraw/zinc/50/17/43/572501743.db2.gz ZJXXVLYKGQRJDI-NSHDSACASA-N 0 0 192.262 1.352 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YKIUVZCAFDSFTF-FNORWQNLSA-N 0 0 144.290 1.802 10 0 ADAERN CC(C)[C@H](C)Oc1ccnc(CO)c1 87469718 572501959 /nfs/dbraw/zinc/50/19/59/572501959.db2.gz GEGUBJNOCBLJPW-VIFPVBQESA-N 0 0 195.262 1.997 10 0 ADAERN CC[C@H](C)[C@H](SCC[NH3+])C(=O)[O-] 238273069 572502046 /nfs/dbraw/zinc/50/20/46/572502046.db2.gz WACPQMYJGMLNMM-BQBZGAKWSA-N 0 0 191.296 1.178 10 0 ADAERN CCC[C@@H]1C[NH2+]CC[C@H]1CCC(=O)[O-] 238272557 572502063 /nfs/dbraw/zinc/50/20/63/572502063.db2.gz PWFIGYQRMLKXHG-NXEZZACHSA-N 0 0 199.294 1.877 10 0 ADAERN CC[C@@H](O)CO[C@H](C)C(C)C 87469816 572502126 /nfs/dbraw/zinc/50/21/26/572502126.db2.gz AWQJSNAJMSHCKD-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN CC[C@H](C)CS(=O)(=O)CCOC 308042331 572502150 /nfs/dbraw/zinc/50/21/50/572502150.db2.gz NVVISWXNVVJWGC-QMMMGPOBSA-N 0 0 194.296 1.094 10 0 ADAERN CCC(=O)[C@H](C)[C@H](CC)OC=O 238271978 572502198 /nfs/dbraw/zinc/50/21/98/572502198.db2.gz CEHZVYOGFCPJDJ-CBAPKCEASA-N 0 0 172.224 1.553 10 0 ADAERN CCC(=O)[C@@H](C)[C@H](CC)OC=O 238272011 572502205 /nfs/dbraw/zinc/50/22/05/572502205.db2.gz CEHZVYOGFCPJDJ-APPZFPTMSA-N 0 0 172.224 1.553 10 0 ADAERN CO/C(C)=C\[C@H](O)C(C)C 307776600 572502222 /nfs/dbraw/zinc/50/22/22/572502222.db2.gz AEOAYYABFMUOQN-TVSKSKRASA-N 0 0 144.214 1.554 10 0 ADAERN CCC[C@H]1CC(CO)=C1C(=O)OC 238271987 572502300 /nfs/dbraw/zinc/50/23/00/572502300.db2.gz CQMBHVHTWDQISW-ZETCQYMHSA-N 0 0 184.235 1.268 10 0 ADAERN CC[C@@H](CO)Cc1ccccc1O 238272528 572502314 /nfs/dbraw/zinc/50/23/14/572502314.db2.gz WRDJETZDYHFPQH-SECBINFHSA-N 0 0 180.247 1.953 10 0 ADAERN CC[C@@H](O)Cc1ccccc1CO 238272789 572502344 /nfs/dbraw/zinc/50/23/44/572502344.db2.gz NDUIBBZVKVTNIB-LLVKDONJSA-N 0 0 180.247 1.492 10 0 ADAERN NCc1ncc(CCC(F)(F)F)o1 84124960 572502374 /nfs/dbraw/zinc/50/23/74/572502374.db2.gz AZBPHCLOPBNGRS-UHFFFAOYSA-N 0 0 194.156 1.628 10 0 ADAERN CC1(NC(=S)NN)CCCCC1 45046193 572502426 /nfs/dbraw/zinc/50/24/26/572502426.db2.gz TWVJNWZSLBGPBX-UHFFFAOYSA-N 0 0 187.312 1.047 10 0 ADAERN Cc1cc(Cn2cc[nH]c2=S)on1 44996141 572502493 /nfs/dbraw/zinc/50/24/93/572502493.db2.gz JXZTUBBUZLFZKO-UHFFFAOYSA-N 0 0 195.247 1.890 10 0 ADAERN CC(C)[C@H](C)Oc1ccc(CO)nn1 87469722 572502548 /nfs/dbraw/zinc/50/25/48/572502548.db2.gz SHBMERVSIDHYEI-QMMMGPOBSA-N 0 0 196.250 1.392 10 0 ADAERN CC(C)[C@H](C)OC[C@H](O)C1CC1 87469806 572502551 /nfs/dbraw/zinc/50/25/51/572502551.db2.gz CSKNOYYBVSNZRE-WPRPVWTQSA-N 0 0 172.268 1.818 10 0 ADAERN CC[C@H](C[C@H](O)C(C)C)C(=O)NC 238271770 572502575 /nfs/dbraw/zinc/50/25/75/572502575.db2.gz SBNSPHFBTXLKPI-BDAKNGLRSA-N 0 0 187.283 1.166 10 0 ADAERN CC(=O)OC[C@@H](C)[C@H](O)C(C)C 308042000 572502640 /nfs/dbraw/zinc/50/26/40/572502640.db2.gz NUSPYTCQXZJPSG-VXNVDRBHSA-N 0 0 174.240 1.203 10 0 ADAERN CC[C@@H](C)C[C@]1(CC)NCC(=O)N1 238272976 572502672 /nfs/dbraw/zinc/50/26/72/572502672.db2.gz WBQJVDKSBDFMTL-PSASIEDQSA-N 0 0 184.283 1.248 10 0 ADAERN C[C@H](C(=O)[O-])C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 62568000 572502707 /nfs/dbraw/zinc/50/27/07/572502707.db2.gz NZMLNIPMFBYOAN-BFARCFIYSA-N 0 0 197.278 1.580 10 0 ADAERN Cc1noc(Cn2cccc2C=O)n1 45006876 572502714 /nfs/dbraw/zinc/50/27/14/572502714.db2.gz MIOAVPIIGQXMMC-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN CC[C@@H](CO)CC(=O)CCC(C)=O 238272090 572502779 /nfs/dbraw/zinc/50/27/79/572502779.db2.gz XEKLEKCALMUDOB-SECBINFHSA-N 0 0 186.251 1.333 10 0 ADAERN CC(C)[C@@H](C)Oc1ccc(CO)nn1 87469721 572502806 /nfs/dbraw/zinc/50/28/06/572502806.db2.gz SHBMERVSIDHYEI-MRVPVSSYSA-N 0 0 196.250 1.392 10 0 ADAERN C=C=C/C(C)=C/CO 307777058 572502815 /nfs/dbraw/zinc/50/28/15/572502815.db2.gz IGRKFDPWNRTLGE-FNORWQNLSA-N 0 0 110.156 1.266 10 0 ADAERN CC[C@@H](C)CS(=O)(=O)CCOC 308042327 572502854 /nfs/dbraw/zinc/50/28/54/572502854.db2.gz NVVISWXNVVJWGC-MRVPVSSYSA-N 0 0 194.296 1.094 10 0 ADAERN COC(=O)c1ccc(CCF)cc1 90558788 572502860 /nfs/dbraw/zinc/50/28/60/572502860.db2.gz PLQNTYFWSCFMQP-UHFFFAOYSA-N 0 0 182.194 1.985 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C1CCC1 250642260 572502903 /nfs/dbraw/zinc/50/29/03/572502903.db2.gz UCWSUDGCEZYGMB-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CN(C)c1cc2c(cc1O)NCCN2 74247942 572502909 /nfs/dbraw/zinc/50/29/09/572502909.db2.gz QDRYUSHLXPWXMT-UHFFFAOYSA-N 0 0 193.250 1.296 10 0 ADAERN CC(C)[C@@H](C)Oc1cc(CO)ccn1 87469723 572502930 /nfs/dbraw/zinc/50/29/30/572502930.db2.gz BLAKPHGQALHSQW-SECBINFHSA-N 0 0 195.262 1.997 10 0 ADAERN CCc1ccc(CON)c(OC)c1 238272795 572502945 /nfs/dbraw/zinc/50/29/45/572502945.db2.gz PGFLOEIKTFMQIP-UHFFFAOYSA-N 0 0 181.235 1.648 10 0 ADAERN Cc1cccc(N[C@@H](C)CCO)c1N 235097026 572502950 /nfs/dbraw/zinc/50/29/50/572502950.db2.gz IODVLNIQPRAXRO-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)(C)C1=CC2=NC=C(N)CN2O1 74247990 572502953 /nfs/dbraw/zinc/50/29/53/572502953.db2.gz NGDDGIPJVWFSEB-UHFFFAOYSA-N 0 0 193.250 1.376 10 0 ADAERN CC1(N2C(=O)C=CC2=O)CCCCC1 45046093 572502969 /nfs/dbraw/zinc/50/29/69/572502969.db2.gz ILVWIAISZWYILN-UHFFFAOYSA-N 0 0 193.246 1.634 10 0 ADAERN CC(C)[C@@H](C)Oc1cccc(CO)n1 87469727 572503079 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FXSMCRVCNBEAIJ-UHFFFAOYSA-N 0 0 193.231 1.450 10 0 ADAERN Cc1nc(-c2nccs2)[nH]c1C=O 74248327 572508323 /nfs/dbraw/zinc/50/83/23/572508323.db2.gz DIZDLSZAOQVEIL-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN CC/C(=C\C[N@H+](C)CC1CC1)C(=O)[O-] 84211194 572508355 /nfs/dbraw/zinc/50/83/55/572508355.db2.gz NZLKIRGWHXVWRR-UXBLZVDNSA-N 0 0 197.278 1.749 10 0 ADAERN CC1(C)C[C@@H]1Nc1ccc(N)nc1 45117702 572508365 /nfs/dbraw/zinc/50/83/65/572508365.db2.gz KXRGLHQUZBOZML-QMMMGPOBSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1ncc(-c2nc(C=O)c[nH]2)s1 74248310 572508428 /nfs/dbraw/zinc/50/84/28/572508428.db2.gz PJNUQQHKAOLHCF-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN O=Cc1c[nH]nc1Cc1cncs1 74248342 572508432 /nfs/dbraw/zinc/50/84/32/572508432.db2.gz ZJFIXNSKSFZVQX-UHFFFAOYSA-N 0 0 193.231 1.270 10 0 ADAERN CC/C=C\C(=O)N[C@@H](C)C1CC1 308044037 572508438 /nfs/dbraw/zinc/50/84/38/572508438.db2.gz ONTZKGXJNCIVMX-LGYSABEFSA-N 0 0 167.252 1.867 10 0 ADAERN Cc1nc(-c2ncc[nH]2)sc1C=O 74248332 572508441 /nfs/dbraw/zinc/50/84/41/572508441.db2.gz BDVFTZBUGCYPDW-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN CC[C@@H](C)C(=O)Nc1ccncc1N 62725711 572510397 /nfs/dbraw/zinc/51/03/97/572510397.db2.gz UAYUJLVNKDPUGD-SSDOTTSWSA-N 0 0 193.250 1.648 10 0 ADAERN Cc1cc2c(n1C)C[C@H](CO)CC2=O 74248159 572508456 /nfs/dbraw/zinc/50/84/56/572508456.db2.gz OEIMMWQXCTYWHX-QMMMGPOBSA-N 0 0 193.246 1.071 10 0 ADAERN CC/C(=C/Cl)[C@H](O)CC(=O)OC 238278558 572508628 /nfs/dbraw/zinc/50/86/28/572508628.db2.gz UWHANMPIMYQHJK-KXTMECRCSA-N 0 0 192.642 1.443 10 0 ADAERN COC(=O)C1(NCC2CC2)CC(C)C1 234548037 572508659 /nfs/dbraw/zinc/50/86/59/572508659.db2.gz SPMVQAZHXRFGQT-UHFFFAOYSA-N 0 0 197.278 1.328 10 0 ADAERN C[N@@H+]1CCC[C@]2(C[C@H]2CCC(=O)[O-])C1 250633704 572508684 /nfs/dbraw/zinc/50/86/84/572508684.db2.gz RQPSQHCZQGSBHI-KOLCDFICSA-N 0 0 197.278 1.583 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)c1cc(N)c[nH]1 45115055 572508689 /nfs/dbraw/zinc/50/86/89/572508689.db2.gz BHZUALUUPUWJMF-QMMMGPOBSA-N 0 0 193.250 1.125 10 0 ADAERN CCOC(=N)[C@@H](O)Cc1ccccc1 238278662 572508722 /nfs/dbraw/zinc/50/87/22/572508722.db2.gz WUZWFIBFOFHNMU-JTQLQIEISA-N 0 0 193.246 1.604 10 0 ADAERN CC[C@@H](CC(=O)[O-])[N@@H+](C)[C@H](C)CC 62751560 572508767 /nfs/dbraw/zinc/50/87/67/572508767.db2.gz HNJFEAATWRMOIZ-BDAKNGLRSA-N 0 0 187.283 1.970 10 0 ADAERN C[NH2+][C@H](c1cc[nH]n1)c1cccs1 62776246 572508792 /nfs/dbraw/zinc/50/87/92/572508792.db2.gz XBUCNHOAIWWWGG-SECBINFHSA-N 0 0 193.275 1.780 10 0 ADAERN CC/C(=C/Cl)[C@@H](O)CC(=O)OC 238278543 572508818 /nfs/dbraw/zinc/50/88/18/572508818.db2.gz UWHANMPIMYQHJK-RBSILHGTSA-N 0 0 192.642 1.443 10 0 ADAERN CC/C(=C/CCCCO)CO 238280085 572508826 /nfs/dbraw/zinc/50/88/26/572508826.db2.gz HLWOYKGFBKKVJT-TWGQIWQCSA-N 0 0 158.241 1.478 10 0 ADAERN Cc1nnc(-c2ccc(C=O)[nH]2)s1 74248314 572508828 /nfs/dbraw/zinc/50/88/28/572508828.db2.gz AKNWWUYNSGNMLH-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN C/C=C/[C@H](O)[C@@H](C)C(=O)SCC 238276914 572508831 /nfs/dbraw/zinc/50/88/31/572508831.db2.gz 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/nfs/dbraw/zinc/50/90/66/572509066.db2.gz LCYRXOIXBAWKSW-ZFZMKPAXSA-N 0 0 197.278 1.892 10 0 ADAERN CC(C)OCn1ccc(CO)c1 308044099 572509075 /nfs/dbraw/zinc/50/90/75/572509075.db2.gz OOXJYATYVHGBEX-UHFFFAOYSA-N 0 0 169.224 1.363 10 0 ADAERN O[C@@H]1CC[C@@H]2CCSC[C@@H]2C1 250642740 572509090 /nfs/dbraw/zinc/50/90/90/572509090.db2.gz HZCAWWCOGOFDRM-HRDYMLBCSA-N 0 0 172.293 1.901 10 0 ADAERN COC(=O)[C@H](NC1(C)CCC1)C1CC1 234548865 572509123 /nfs/dbraw/zinc/50/91/23/572509123.db2.gz VSTSNWRLJAPRKH-SECBINFHSA-N 0 0 197.278 1.470 10 0 ADAERN CCCCn1cnc(C)c1C=O 238277076 572509194 /nfs/dbraw/zinc/50/91/94/572509194.db2.gz RCEPGUTUWSZWEN-UHFFFAOYSA-N 0 0 166.224 1.804 10 0 ADAERN CC[C@@H](O)C(=O)C[C@H]1CCCOC1 689656142 572509200 /nfs/dbraw/zinc/50/92/00/572509200.db2.gz UWRADKGJNNODHF-RKDXNWHRSA-N 0 0 186.251 1.143 10 0 ADAERN CCSC(=O)[C@H](O)c1ccccc1 238277129 572509204 /nfs/dbraw/zinc/50/92/04/572509204.db2.gz MFYJCOPKGBEPGM-SECBINFHSA-N 0 0 196.271 2.000 10 0 ADAERN CCO[C@H](C)CC(=O)C(C)(C)O 238280048 572509211 /nfs/dbraw/zinc/50/92/11/572509211.db2.gz ZQICFVOQQYNARF-SSDOTTSWSA-N 0 0 174.240 1.142 10 0 ADAERN O=C1C[C@H](O)Cc2oc(C3CC3)cc21 74270549 572509290 /nfs/dbraw/zinc/50/92/90/572509290.db2.gz UENBZTHDDKSTDO-ZETCQYMHSA-N 0 0 192.214 1.647 10 0 ADAERN CCSC(=O)c1c[nH]cc1C=O 238277309 572509336 /nfs/dbraw/zinc/50/93/36/572509336.db2.gz HJFBQAKPOXJDMK-UHFFFAOYSA-N 0 0 183.232 1.721 10 0 ADAERN CC[C@@H](c1ccccc1)[C@@H](O)CO 238278807 572510466 /nfs/dbraw/zinc/51/04/66/572510466.db2.gz BUNRTYJVPJYQHL-QWRGUYRKSA-N 0 0 180.247 1.533 10 0 ADAERN Nc1cc(Cc2ccccn2)ns1 74272169 572510469 /nfs/dbraw/zinc/51/04/69/572510469.db2.gz PNCQZJLWLWPFNE-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CC[C@H](F)C(=O)N[C@@H](C)C(C)C 238278295 572509401 /nfs/dbraw/zinc/50/94/01/572509401.db2.gz KBFWVGDBMZZINI-YUMQZZPRSA-N 0 0 175.247 1.895 10 0 ADAERN Cc1nc(-c2cc(C=O)no2)oc1C 74271075 572509412 /nfs/dbraw/zinc/50/94/12/572509412.db2.gz KXRDMWUIZOPFIL-UHFFFAOYSA-N 0 0 192.174 1.759 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@@H]1CCC[C@@H]1C(=O)[O-] 62756461 572509454 /nfs/dbraw/zinc/50/94/54/572509454.db2.gz QEJKAAVKZSHCBD-KXUCPTDWSA-N 0 0 197.278 1.724 10 0 ADAERN O=C1C[C@H](O)Cc2oc3c(c21)CCC3 74270550 572509499 /nfs/dbraw/zinc/50/94/99/572509499.db2.gz WDZCJKDKKZJYKS-LURJTMIESA-N 0 0 192.214 1.258 10 0 ADAERN CC[C@@H](CO)Nc1cccc(N)c1C 62724649 572509522 /nfs/dbraw/zinc/50/95/22/572509522.db2.gz YXESXCSCEWIEMC-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CC1(C)C[C@H]1Nc1ncccc1N 45118043 572509523 /nfs/dbraw/zinc/50/95/23/572509523.db2.gz NGIWKLZWBJFIIR-MRVPVSSYSA-N 0 0 177.251 1.874 10 0 ADAERN CC[C@@]1(CCCO)CO[C@H](OC)C1 238277068 572509591 /nfs/dbraw/zinc/50/95/91/572509591.db2.gz RUMXDUHEHBFZKR-UWVGGRQHSA-N 0 0 188.267 1.548 10 0 ADAERN Cc1noc(C)c1-c1cc(C=O)no1 74271074 572509608 /nfs/dbraw/zinc/50/96/08/572509608.db2.gz YYCCEZUHIXLYTD-UHFFFAOYSA-N 0 0 192.174 1.759 10 0 ADAERN COC(=O)[C@H](NC1CCC1)C1CC1 234550585 572509609 /nfs/dbraw/zinc/50/96/09/572509609.db2.gz HGWZDDUZCTXHSV-SECBINFHSA-N 0 0 183.251 1.080 10 0 ADAERN CCCCC[C@H](O)[C@@](C)(F)CO 308047485 572509611 /nfs/dbraw/zinc/50/96/11/572509611.db2.gz QEBVESLEIOZNEE-IUCAKERBSA-N 0 0 178.247 1.648 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]1CC1CC1 250634754 572509627 /nfs/dbraw/zinc/50/96/27/572509627.db2.gz RVEKWWSAYBRHIH-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN Cc1cc2nc(C=O)n(C)c2cc1F 74270649 572509632 /nfs/dbraw/zinc/50/96/32/572509632.db2.gz IVCSPWHRMGSRLD-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN CC[C@@H](O)[C@H](C)COC(C)C 238278428 572509635 /nfs/dbraw/zinc/50/96/35/572509635.db2.gz IJPIBUPBJLBDTR-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN CC[C@H](O)C(=O)C[C@@H]1CCCOC1 689656141 572509639 /nfs/dbraw/zinc/50/96/39/572509639.db2.gz UWRADKGJNNODHF-IUCAKERBSA-N 0 0 186.251 1.143 10 0 ADAERN CCc1nc(N)c(COC)c(CC)n1 238278683 572509654 /nfs/dbraw/zinc/50/96/54/572509654.db2.gz GJPNWKOIRDDWMY-UHFFFAOYSA-N 0 0 195.266 1.330 10 0 ADAERN CCOC(=O)/C=C/[C@@H](O)CC(C)C 308047581 572509669 /nfs/dbraw/zinc/50/96/69/572509669.db2.gz IJDABQCMACHDEK-VUHVRTRXSA-N 0 0 186.251 1.513 10 0 ADAERN CC(C)CNCC(=O)OCC(C)C 62743681 572509698 /nfs/dbraw/zinc/50/96/98/572509698.db2.gz IFFXTSSLMKSZAN-UHFFFAOYSA-N 0 0 187.283 1.431 10 0 ADAERN CCOC(=O)/C=C/[C@H](O)CC(C)C 308047580 572509727 /nfs/dbraw/zinc/50/97/27/572509727.db2.gz IJDABQCMACHDEK-CYNONHLPSA-N 0 0 186.251 1.513 10 0 ADAERN CCCc1cc(O)c(OC)cc1CO 238277908 572509785 /nfs/dbraw/zinc/50/97/85/572509785.db2.gz AWAINTOZFBLLMT-UHFFFAOYSA-N 0 0 196.246 1.846 10 0 ADAERN CC/C(=C\C[N@@H+]1CCC[C@@H]1C)C(=O)[O-] 84211183 572509802 /nfs/dbraw/zinc/50/98/02/572509802.db2.gz LCYRXOIXBAWKSW-CMWXKVOJSA-N 0 0 197.278 1.892 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]1CC1CC1 250634752 572509805 /nfs/dbraw/zinc/50/98/05/572509805.db2.gz RVEKWWSAYBRHIH-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])CC[C@H]1C1CC1 250648986 572511738 /nfs/dbraw/zinc/51/17/38/572511738.db2.gz WFCKZJWJYXECRV-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN NCC(=O)c1ocnc1-c1ccco1 74270912 572509843 /nfs/dbraw/zinc/50/98/43/572509843.db2.gz HIEYXIJRLDVFEX-UHFFFAOYSA-N 0 0 192.174 1.076 10 0 ADAERN C[C@@H](C1CCOCC1)n1cc[nH]c1=O 235103261 572509854 /nfs/dbraw/zinc/50/98/54/572509854.db2.gz YDCJUTPVMHCDKZ-QMMMGPOBSA-N 0 0 196.250 1.164 10 0 ADAERN CCOCC[C@H](CCO)OCC 238280122 572511706 /nfs/dbraw/zinc/51/17/06/572511706.db2.gz UDGAGDCHLXHNBK-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN CCSC(=O)c1cc[nH]c1C=O 238277384 572509869 /nfs/dbraw/zinc/50/98/69/572509869.db2.gz MJADWHVXFSYOJG-UHFFFAOYSA-N 0 0 183.232 1.721 10 0 ADAERN C[N@H+](C1CC1)[C@H]1CCC[C@@H]1C(=O)[O-] 62751200 572509878 /nfs/dbraw/zinc/50/98/78/572509878.db2.gz VUBAUCAPHKHYRZ-IUCAKERBSA-N 0 0 183.251 1.334 10 0 ADAERN CCCCCCO[C@](C)(O)CO 117260118 572511751 /nfs/dbraw/zinc/51/17/51/572511751.db2.gz OGSWACWARXQGNL-VIFPVBQESA-N 0 0 176.256 1.284 10 0 ADAERN Nc1c2c(cc3c1OCCO3)CCN2 74270441 572509955 /nfs/dbraw/zinc/50/99/55/572509955.db2.gz WLRDTMHAVAZZRX-UHFFFAOYSA-N 0 0 192.218 1.008 10 0 ADAERN Cn1ccc(C[C@@H](N)C(F)(F)F)c1 74270670 572509961 /nfs/dbraw/zinc/50/99/61/572509961.db2.gz QOCOPBPAIMZRGV-SSDOTTSWSA-N 0 0 192.184 1.457 10 0 ADAERN C[NH2+][C@@H](c1cc[nH]n1)c1cccs1 62776245 572510039 /nfs/dbraw/zinc/51/00/39/572510039.db2.gz XBUCNHOAIWWWGG-VIFPVBQESA-N 0 0 193.275 1.780 10 0 ADAERN CCC[N@H+](C)[C@H](CC)CC(=O)[O-] 62751062 572510065 /nfs/dbraw/zinc/51/00/65/572510065.db2.gz ZVSYZQISAKMGLB-MRVPVSSYSA-N 0 0 173.256 1.582 10 0 ADAERN C[N@H+](C1CC1)[C@@H]1CCC[C@@H]1C(=O)[O-] 62751199 572510146 /nfs/dbraw/zinc/51/01/46/572510146.db2.gz VUBAUCAPHKHYRZ-DTWKUNHWSA-N 0 0 183.251 1.334 10 0 ADAERN CCOC(=N)[C@@H](O)C(F)(F)CC 238278605 572510159 /nfs/dbraw/zinc/51/01/59/572510159.db2.gz SCRSZORIJAKAMM-RXMQYKEDSA-N 0 0 181.182 1.406 10 0 ADAERN C[C@H]1C[C@@H]2SCCN2C(=S)N1 196493138 572510216 /nfs/dbraw/zinc/51/02/16/572510216.db2.gz KLGQGHTXYJOQFH-WDSKDSINSA-N 0 0 188.321 1.028 10 0 ADAERN O=Cc1nonc1-c1ccccc1F 74271100 572510241 /nfs/dbraw/zinc/51/02/41/572510241.db2.gz UVOFOVBXFKRYNS-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN CCOC(=O)NC[C@H]1CCCS1 87475602 572510251 /nfs/dbraw/zinc/51/02/51/572510251.db2.gz RXFNWCIFBFFZIY-SSDOTTSWSA-N 0 0 189.280 1.628 10 0 ADAERN CCOC(=N)[C@@H](O)C(F)(F)C(C)C 238278584 572510256 /nfs/dbraw/zinc/51/02/56/572510256.db2.gz VIXRSWPXFGRNGH-ZCFIWIBFSA-N 0 0 195.209 1.652 10 0 ADAERN CCc1nc2oc(C=O)c(C)n2c1C 74270391 572510260 /nfs/dbraw/zinc/51/02/60/572510260.db2.gz GOXCINULJZFFBI-UHFFFAOYSA-N 0 0 192.218 1.919 10 0 ADAERN O=C1C[C@@H](O)Cc2occ(C3CC3)c21 74270554 572510271 /nfs/dbraw/zinc/51/02/71/572510271.db2.gz PNWCYIHSWIIXKF-SSDOTTSWSA-N 0 0 192.214 1.647 10 0 ADAERN CCCCC[C@@H](O)[C@](C)(F)CO 308047490 572510335 /nfs/dbraw/zinc/51/03/35/572510335.db2.gz QEBVESLEIOZNEE-RKDXNWHRSA-N 0 0 178.247 1.648 10 0 ADAERN Cc1nc(-c2ocnc2C=O)oc1C 74270981 572510336 /nfs/dbraw/zinc/51/03/36/572510336.db2.gz IJRKYMSIQRBHJH-UHFFFAOYSA-N 0 0 192.174 1.759 10 0 ADAERN CC[C@H](F)C(=O)N[C@H](C)C(C)C 238278384 572510343 /nfs/dbraw/zinc/51/03/43/572510343.db2.gz KBFWVGDBMZZINI-SFYZADRCSA-N 0 0 175.247 1.895 10 0 ADAERN CCOC(=O)N[C@@H](C)Cc1c[nH]cn1 238278802 572510352 /nfs/dbraw/zinc/51/03/52/572510352.db2.gz IRNYTOCZDYMSMV-ZETCQYMHSA-N 0 0 197.238 1.087 10 0 ADAERN CC[C@@H](CC(=O)[O-])[N@@H+]1CCC[C@H](C)C1 62750272 572510409 /nfs/dbraw/zinc/51/04/09/572510409.db2.gz OBMZIEVOJJSEMI-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN O=Cc1nonc1-c1cccc(F)c1 74271103 572510454 /nfs/dbraw/zinc/51/04/54/572510454.db2.gz MPORNQIHEWNFSJ-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN CC(=O)[C@]1(C)C(=O)CCC[C@H]1C 196491203 572512980 /nfs/dbraw/zinc/51/29/80/572512980.db2.gz YMKPTKDCMUKTOF-GMSGAONNSA-N 0 0 168.236 1.971 10 0 ADAERN CCOC(=N)[C@H](O)Cc1ccccc1 238279072 572510503 /nfs/dbraw/zinc/51/05/03/572510503.db2.gz WUZWFIBFOFHNMU-SNVBAGLBSA-N 0 0 193.246 1.604 10 0 ADAERN Cc1cc(=O)c2cccnc2s1 196486094 572510561 /nfs/dbraw/zinc/51/05/61/572510561.db2.gz FHULHZDUSYCZLA-UHFFFAOYSA-N 0 0 177.228 1.965 10 0 ADAERN O=Cc1nonc1-c1ccc(F)cc1 74271105 572510562 /nfs/dbraw/zinc/51/05/62/572510562.db2.gz VVSZYPUUABZSAG-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN CCOC(=O)NC[C@@H]1CCCS1 87475600 572510570 /nfs/dbraw/zinc/51/05/70/572510570.db2.gz RXFNWCIFBFFZIY-ZETCQYMHSA-N 0 0 189.280 1.628 10 0 ADAERN CCOC(=O)c1nc(N)c(C(C)C)[nH]1 238278948 572510580 /nfs/dbraw/zinc/51/05/80/572510580.db2.gz UKXLUXWSXSNOPW-UHFFFAOYSA-N 0 0 197.238 1.292 10 0 ADAERN CCC(=O)[C@@H](CC)COC(C)=O 238276999 572510634 /nfs/dbraw/zinc/51/06/34/572510634.db2.gz LNXWXFJXPZZORF-QMMMGPOBSA-N 0 0 172.224 1.555 10 0 ADAERN O=C1C[C@@H](O)Cc2oc(C3CC3)cc21 74270546 572510644 /nfs/dbraw/zinc/51/06/44/572510644.db2.gz UENBZTHDDKSTDO-SSDOTTSWSA-N 0 0 192.214 1.647 10 0 ADAERN COc1cc2[nH]cc(N)c2cc1OC 74270387 572510684 /nfs/dbraw/zinc/51/06/84/572510684.db2.gz DUNXBWFBCQFPCN-UHFFFAOYSA-N 0 0 192.218 1.767 10 0 ADAERN C=C/C=C\CC[C@@H]1CCC(=O)NC1=O 713718090 572510712 /nfs/dbraw/zinc/51/07/12/572510712.db2.gz KYZZWJORQJKGOY-ZBJFTSOASA-N 0 0 193.246 1.562 10 0 ADAERN C[NH+](C)Cc1ccc(C(=O)[O-])cc1F 62749843 572510727 /nfs/dbraw/zinc/51/07/27/572510727.db2.gz JXXDYZIPUWRNRS-UHFFFAOYSA-N 0 0 197.209 1.586 10 0 ADAERN Cc1cnc(C=O)n1CC(F)(F)F 74271122 572510741 /nfs/dbraw/zinc/51/07/41/572510741.db2.gz BQJGWXRKLCGGIV-UHFFFAOYSA-N 0 0 192.140 1.566 10 0 ADAERN Nc1cnoc1Cc1cccc(F)c1 74270666 572510758 /nfs/dbraw/zinc/51/07/58/572510758.db2.gz CBBUFRIVVQSBLW-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN CCOC(=O)c1cocc1C=O 238277107 572510764 /nfs/dbraw/zinc/51/07/64/572510764.db2.gz DLPBIYYBLCRAHD-UHFFFAOYSA-N 0 0 168.148 1.269 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2C(=O)[O-])C1 62753285 572510775 /nfs/dbraw/zinc/51/07/75/572510775.db2.gz SOYXJALSEMJSNY-KXUCPTDWSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1nocc1Cc1oncc1C=O 74270950 572510780 /nfs/dbraw/zinc/51/07/80/572510780.db2.gz JCIQDYVSJXXJAG-UHFFFAOYSA-N 0 0 192.174 1.374 10 0 ADAERN CCCCCCO[C@@](C)(O)CO 117260116 572510793 /nfs/dbraw/zinc/51/07/93/572510793.db2.gz OGSWACWARXQGNL-SECBINFHSA-N 0 0 176.256 1.284 10 0 ADAERN Cc1noc(C)c1-c1ncc(C=O)o1 74270989 572510832 /nfs/dbraw/zinc/51/08/32/572510832.db2.gz FITMDYWENVTAGX-UHFFFAOYSA-N 0 0 192.174 1.759 10 0 ADAERN CC[C@H](O)C(=O)C[C@H]1CCCOC1 689656139 572510869 /nfs/dbraw/zinc/51/08/69/572510869.db2.gz UWRADKGJNNODHF-BDAKNGLRSA-N 0 0 186.251 1.143 10 0 ADAERN CC[C@@H](C(N)=O)[C@@H](O)C1CCCC1 238278617 572510877 /nfs/dbraw/zinc/51/08/77/572510877.db2.gz CDGSIZYKXPHGHG-BDAKNGLRSA-N 0 0 185.267 1.049 10 0 ADAERN CCCCn1nncc1[C@@H](C)O 238278232 572510904 /nfs/dbraw/zinc/51/09/04/572510904.db2.gz SUSIFVIOVGNHQS-SSDOTTSWSA-N 0 0 169.228 1.132 10 0 ADAERN O=C1C[C@H](O)Cc2occ(C3CC3)c21 74270557 572510912 /nfs/dbraw/zinc/51/09/12/572510912.db2.gz PNWCYIHSWIIXKF-ZETCQYMHSA-N 0 0 192.214 1.647 10 0 ADAERN CCCc1nnc(-c2cc[nH]n2)[nH]1 62778002 572510920 /nfs/dbraw/zinc/51/09/20/572510920.db2.gz ZBBXOQGGOAKQAM-UHFFFAOYSA-N 0 0 177.211 1.147 10 0 ADAERN N[C@H](c1ccccc1)c1ncsn1 74272178 572510923 /nfs/dbraw/zinc/51/09/23/572510923.db2.gz JNBKERSAYFMGPN-MRVPVSSYSA-N 0 0 191.259 1.586 10 0 ADAERN CCOC(=N)[C@H](O)C(F)(F)CC 238279028 572510929 /nfs/dbraw/zinc/51/09/29/572510929.db2.gz SCRSZORIJAKAMM-YFKPBYRVSA-N 0 0 181.182 1.406 10 0 ADAERN Cc1nc(C)c(-c2ocnc2C=O)o1 74270979 572510974 /nfs/dbraw/zinc/51/09/74/572510974.db2.gz MEGVAWSWRMXGQI-UHFFFAOYSA-N 0 0 192.174 1.759 10 0 ADAERN COc1cc(CO)c(C)c(OC)c1 196490776 572510996 /nfs/dbraw/zinc/51/09/96/572510996.db2.gz IGEODWXLIRYYCW-UHFFFAOYSA-N 0 0 182.219 1.505 10 0 ADAERN CCCCn1nncc1[C@H](C)O 238278244 572511011 /nfs/dbraw/zinc/51/10/11/572511011.db2.gz SUSIFVIOVGNHQS-ZETCQYMHSA-N 0 0 169.228 1.132 10 0 ADAERN CCCOC(=O)CNCC(C)C 62743658 572511016 /nfs/dbraw/zinc/51/10/16/572511016.db2.gz NABZEYVOYSCLNY-UHFFFAOYSA-N 0 0 173.256 1.185 10 0 ADAERN CCCCC(=O)N[C@@H](C)[C@H](C)O 308045170 572511017 /nfs/dbraw/zinc/51/10/17/572511017.db2.gz PDORTDCIPZRLCI-YUMQZZPRSA-N 0 0 173.256 1.062 10 0 ADAERN C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C2CC2)C1 250645590 572511023 /nfs/dbraw/zinc/51/10/23/572511023.db2.gz VDNJDZSHAKXPQU-DTWKUNHWSA-N 0 0 183.251 1.049 10 0 ADAERN C[C@H](CO)[C@H](C)[C@@H](C)[C@H](C)CO 308045787 572511042 /nfs/dbraw/zinc/51/10/42/572511042.db2.gz PIXIPLASDZHUKM-IMSYWVGJSA-N 0 0 174.284 1.515 10 0 ADAERN Nc1cc(Cc2ccncc2)ns1 74272167 572511048 /nfs/dbraw/zinc/51/10/48/572511048.db2.gz CQTTYBWYSILBGY-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CCn1c(C(F)(F)F)cnc1C=O 74271120 572511052 /nfs/dbraw/zinc/51/10/52/572511052.db2.gz YCHRTXRCFQEGQL-UHFFFAOYSA-N 0 0 192.140 1.734 10 0 ADAERN COc1cc(N)c2[nH]ccc2c1OC 74270443 572511076 /nfs/dbraw/zinc/51/10/76/572511076.db2.gz HWOBNDUWWKAARQ-UHFFFAOYSA-N 0 0 192.218 1.767 10 0 ADAERN CC[C@@H](O)C(=O)C[C@@H]1CCCOC1 689656140 572511142 /nfs/dbraw/zinc/51/11/42/572511142.db2.gz UWRADKGJNNODHF-DTWKUNHWSA-N 0 0 186.251 1.143 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C1CC1 250648987 572511151 /nfs/dbraw/zinc/51/11/51/572511151.db2.gz WFCKZJWJYXECRV-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN CCSC(=O)c1cc(C=O)c[nH]1 238277367 572511161 /nfs/dbraw/zinc/51/11/61/572511161.db2.gz SXYHUOHSFCHNEB-UHFFFAOYSA-N 0 0 183.232 1.721 10 0 ADAERN CC[C@@H](COC(C)=O)CC(C)=O 238277040 572511163 /nfs/dbraw/zinc/51/11/63/572511163.db2.gz IZQGWWAPQNYPPL-SECBINFHSA-N 0 0 172.224 1.555 10 0 ADAERN Cc1cc2c(c(C)[nH+]1)CC[C@H](CO)C2 74271776 572513010 /nfs/dbraw/zinc/51/30/10/572513010.db2.gz NNMXYEWTVZODOX-JTQLQIEISA-N 0 0 191.274 1.796 10 0 ADAERN CO[C@@H](C)CCC(=O)c1ccn(C)n1 231998741 572511195 /nfs/dbraw/zinc/51/11/95/572511195.db2.gz ACMPWAHAJSHRIJ-QMMMGPOBSA-N 0 0 196.250 1.418 10 0 ADAERN CC(=O)[C@H]1CC(C)=C(C)C(=O)O1 196487787 572511230 /nfs/dbraw/zinc/51/12/30/572511230.db2.gz OKJMXRABIBDZDN-MRVPVSSYSA-N 0 0 168.192 1.227 10 0 ADAERN CC1(C)C[C@H]1Nc1ccncn1 45135622 572513013 /nfs/dbraw/zinc/51/30/13/572513013.db2.gz ACOZASUJDSZCEU-SSDOTTSWSA-N 0 0 163.224 1.687 10 0 ADAERN 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/nfs/dbraw/zinc/51/34/41/572513441.db2.gz PQLDQYPPXLCXCA-UHFFFAOYSA-N 0 0 179.219 1.821 10 0 ADAERN CC[C@@H](O)[C@H](O)CNc1ccccc1 238279702 572513522 /nfs/dbraw/zinc/51/35/22/572513522.db2.gz SRNPWQADBTVCNR-GHMZBOCLSA-N 0 0 195.262 1.230 10 0 ADAERN C[C@@H]1C[C@H]2SCCN2C(=S)N1 196493106 572513535 /nfs/dbraw/zinc/51/35/35/572513535.db2.gz KLGQGHTXYJOQFH-PHDIDXHHSA-N 0 0 188.321 1.028 10 0 ADAERN CC(=O)[C@@]1(C)C(=O)CCC[C@@H]1C 196491237 572513638 /nfs/dbraw/zinc/51/36/38/572513638.db2.gz YMKPTKDCMUKTOF-XVKPBYJWSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1nc(N)c2c(n1)CCC(C)(C)C2 74271602 572513653 /nfs/dbraw/zinc/51/36/53/572513653.db2.gz UGNLDNMZSBQDJA-UHFFFAOYSA-N 0 0 191.278 1.882 10 0 ADAERN COC[C@](O)(c1cccs1)C1CC1 87497217 572513660 /nfs/dbraw/zinc/51/36/60/572513660.db2.gz OSBHGZAQQZFYFM-SNVBAGLBSA-N 0 0 198.287 1.992 10 0 ADAERN COc1cc(OC)c(Cl)nn1 196490464 572513662 /nfs/dbraw/zinc/51/36/62/572513662.db2.gz IDCVMXKLHXVZHS-UHFFFAOYSA-N 0 0 174.587 1.147 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1[C@@H](C(=O)[O-])C1CC1 250646607 572513678 /nfs/dbraw/zinc/51/36/78/572513678.db2.gz VOIMTLGZZDOOGZ-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CC1(C)C[C@@H]1n1cn[nH]c1=S 45135846 572513769 /nfs/dbraw/zinc/51/37/69/572513769.db2.gz SRMJDKZVBLCWNI-YFKPBYRVSA-N 0 0 169.253 1.912 10 0 ADAERN Cc1ccccc1SCCNN 308045625 572513773 /nfs/dbraw/zinc/51/37/73/572513773.db2.gz PFQPORPHKQDZAE-UHFFFAOYSA-N 0 0 182.292 1.550 10 0 ADAERN C[C@H](CO)[C@H](C)[C@@H](C)[C@@H](C)CO 308045788 572513777 /nfs/dbraw/zinc/51/37/77/572513777.db2.gz PIXIPLASDZHUKM-JXUBOQSCSA-N 0 0 174.284 1.515 10 0 ADAERN C[C@H](CO)[C@H](C)[C@H](C)[C@@H](C)CO 308045786 572513787 /nfs/dbraw/zinc/51/37/87/572513787.db2.gz PIXIPLASDZHUKM-FIRGSJFUSA-N 0 0 174.284 1.515 10 0 ADAERN CCOC(=O)N[C@@H](CO)c1ccco1 238279673 572513794 /nfs/dbraw/zinc/51/37/94/572513794.db2.gz IKIVDSHTSIVTMZ-ZETCQYMHSA-N 0 0 199.206 1.059 10 0 ADAERN C[C@@H]1CC[C@@](C)(O)C(=O)C1 196486620 572513806 /nfs/dbraw/zinc/51/38/06/572513806.db2.gz CEVBIRZPSXUNLT-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN COCCC(=O)C[C@@H]1CCCOC1 689656833 572513822 /nfs/dbraw/zinc/51/38/22/572513822.db2.gz WNLABGBELWZXFN-VIFPVBQESA-N 0 0 186.251 1.409 10 0 ADAERN CC(=O)[C@@]1(C)C(=O)CCC[C@H]1C 196491217 572513835 /nfs/dbraw/zinc/51/38/35/572513835.db2.gz YMKPTKDCMUKTOF-XCBNKYQSSA-N 0 0 168.236 1.971 10 0 ADAERN CNc1cccc(COCCOC)c1 62796557 572513894 /nfs/dbraw/zinc/51/38/94/572513894.db2.gz BGVNYYJRXWCLNO-UHFFFAOYSA-N 0 0 195.262 1.891 10 0 ADAERN C[C@H]1CC[C@](C)(O)C(=O)C1 196486654 572513922 /nfs/dbraw/zinc/51/39/22/572513922.db2.gz CEVBIRZPSXUNLT-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN CCCOC[C@@](O)(COC)C(C)C 87497029 572513923 /nfs/dbraw/zinc/51/39/23/572513923.db2.gz GQKREWWJQGOZEX-JTQLQIEISA-N 0 0 190.283 1.447 10 0 ADAERN Cc1noc(C)c1-c1oncc1C[NH3+] 74267635 572513930 /nfs/dbraw/zinc/51/39/30/572513930.db2.gz GAAPLRURCSXFPI-UHFFFAOYSA-N 0 0 193.206 1.405 10 0 ADAERN C[C@H]1CC(=O)N(C[C@H](O)C(C)(C)C)C1 62817660 572513935 /nfs/dbraw/zinc/51/39/35/572513935.db2.gz SLYJAIZNMMTBRD-IUCAKERBSA-N 0 0 199.294 1.262 10 0 ADAERN COC[C@@](O)(COC(C)C)C(C)C 87496853 572514022 /nfs/dbraw/zinc/51/40/22/572514022.db2.gz FEDCFPOTNSOOBP-SNVBAGLBSA-N 0 0 190.283 1.445 10 0 ADAERN Cc1nc(Cc2oncc2N)oc1C 74267676 572514031 /nfs/dbraw/zinc/51/40/31/572514031.db2.gz MEBCCNAXYRMORI-UHFFFAOYSA-N 0 0 193.206 1.452 10 0 ADAERN C[C@H]1CC(=O)N(C[C@@H](O)C(C)(C)C)C1 62817662 572514077 /nfs/dbraw/zinc/51/40/77/572514077.db2.gz SLYJAIZNMMTBRD-DTWKUNHWSA-N 0 0 199.294 1.262 10 0 ADAERN CCC[C@H]1CNC(C)=C1C(=O)OCC 238279197 572514091 /nfs/dbraw/zinc/51/40/91/572514091.db2.gz URNGWUPDHVIJQL-VIFPVBQESA-N 0 0 197.278 1.843 10 0 ADAERN CCCOc1ccc2c(c1)OC[C@@H]2O 62806167 572514129 /nfs/dbraw/zinc/51/41/29/572514129.db2.gz YUSBKSKNSUPERS-JTQLQIEISA-N 0 0 194.230 1.901 10 0 ADAERN CCCC[C@@](O)(COC)C1CC1 87497175 572514158 /nfs/dbraw/zinc/51/41/58/572514158.db2.gz KVLNHFHTKPJSJR-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@@](O)(C=C(C)C)C1CC1 87497153 572514175 /nfs/dbraw/zinc/51/41/75/572514175.db2.gz FDDKZDBRQDEFEY-JTQLQIEISA-N 0 0 170.252 1.740 10 0 ADAERN COC[C@]([NH3+])(c1nccs1)C1CC1 87495791 572514182 /nfs/dbraw/zinc/51/41/82/572514182.db2.gz NNNZGTQTUDHQRU-SECBINFHSA-N 0 0 198.291 1.354 10 0 ADAERN OCc1c[nH]c(-c2cccc(O)c2)n1 62820550 572514191 /nfs/dbraw/zinc/51/41/91/572514191.db2.gz FQOFOZCXOOCHFC-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN C[C@@H]1CC(=O)N(C[C@@H](O)C(C)(C)C)C1 62817661 572514213 /nfs/dbraw/zinc/51/42/13/572514213.db2.gz SLYJAIZNMMTBRD-RKDXNWHRSA-N 0 0 199.294 1.262 10 0 ADAERN CCOC(=O)N[C@@H](CO)[C@H](C)CC 238279644 572514218 /nfs/dbraw/zinc/51/42/18/572514218.db2.gz CZRWRPZMYCNARB-SFYZADRCSA-N 0 0 189.255 1.140 10 0 ADAERN CSC/C=C\[C@@H](C)O 307783625 572514230 /nfs/dbraw/zinc/51/42/30/572514230.db2.gz MUWLXLUJVXUKKD-KGJQDRRLSA-N 0 0 132.228 1.286 10 0 ADAERN CCO[C@H](C)CCC[C@@H](C)O 238280197 572514240 /nfs/dbraw/zinc/51/42/40/572514240.db2.gz CALLJVAXCOSQBP-RKDXNWHRSA-N 0 0 160.257 1.963 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)OC[C@H]1C[C@H]1C 308046709 572514288 /nfs/dbraw/zinc/51/42/88/572514288.db2.gz PSJGXKKLQKOJDB-XAVMHZPKSA-N 0 0 168.236 1.842 10 0 ADAERN CSC/C=C\[C@H](C)O 307783626 572514307 /nfs/dbraw/zinc/51/43/07/572514307.db2.gz MUWLXLUJVXUKKD-SYDCGGLASA-N 0 0 132.228 1.286 10 0 ADAERN [NH3+]C[C@H](O)c1occc1-c1ccco1 74267759 572514308 /nfs/dbraw/zinc/51/43/08/572514308.db2.gz JLUQHBVHZSXTBO-QMMMGPOBSA-N 0 0 193.202 1.532 10 0 ADAERN C/C=C(\C)C(=O)OCCC(C)=O 308047174 572514364 /nfs/dbraw/zinc/51/43/64/572514364.db2.gz PXJIWYLDHOVIOS-QPJJXVBHSA-N 0 0 170.208 1.475 10 0 ADAERN CN1c2cc(C=O)oc2[C@H]2COC[C@@H]21 74267781 572514394 /nfs/dbraw/zinc/51/43/94/572514394.db2.gz HELTXCXUQRMOMN-CBAPKCEASA-N 0 0 193.202 1.024 10 0 ADAERN CC(C)Oc1ccc2c(c1)OC[C@@H]2O 62806169 572514415 /nfs/dbraw/zinc/51/44/15/572514415.db2.gz WMJYPNRQJKKAAR-JTQLQIEISA-N 0 0 194.230 1.900 10 0 ADAERN Cc1cc2c(c(C)[nH+]1)CC[C@@H](CO)C2 74271779 572514425 /nfs/dbraw/zinc/51/44/25/572514425.db2.gz NNMXYEWTVZODOX-SNVBAGLBSA-N 0 0 191.274 1.796 10 0 ADAERN CCC[C@@H]1O[C@](C)(CC)O[C@@H]1CO 238280278 572514431 /nfs/dbraw/zinc/51/44/31/572514431.db2.gz RTDLDHBVHMGIOQ-AEJSXWLSSA-N 0 0 188.267 1.689 10 0 ADAERN COC[C@](O)(C1CC1)C(C)(C)C 87497184 572514470 /nfs/dbraw/zinc/51/44/70/572514470.db2.gz LBUNJLQQJSOXFG-JTQLQIEISA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc(C)c(N)c(-c2ncno2)c1 62825904 572514511 /nfs/dbraw/zinc/51/45/11/572514511.db2.gz SRPYUGRAVOCYFP-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN C/C=C\C(=O)N[C@H](C)CF 307783269 572514577 /nfs/dbraw/zinc/51/45/77/572514577.db2.gz LYGQKLPCIVXSCI-KGJQDRRLSA-N 0 0 145.177 1.037 10 0 ADAERN CCOC(=O)N[C@@H](CO)[C@@H](C)CC 238279628 572514611 /nfs/dbraw/zinc/51/46/11/572514611.db2.gz CZRWRPZMYCNARB-YUMQZZPRSA-N 0 0 189.255 1.140 10 0 ADAERN CCOCC[C@@H](CCO)OCC 238279294 572514617 /nfs/dbraw/zinc/51/46/17/572514617.db2.gz UDGAGDCHLXHNBK-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN COC[C@@](O)(c1cccnc1)C(C)C 87496110 572514668 /nfs/dbraw/zinc/51/46/68/572514668.db2.gz GVDKIZQAXCKZEW-NSHDSACASA-N 0 0 195.262 1.572 10 0 ADAERN CCCC(=O)CN1C[C@H](C)CC1=O 62816923 572514726 /nfs/dbraw/zinc/51/47/26/572514726.db2.gz YLTYAPWSFWUPJV-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN NN1CCCCC[C@H]1c1ccccn1 74271638 572514732 /nfs/dbraw/zinc/51/47/32/572514732.db2.gz HZZQSSPLDJEMKH-NSHDSACASA-N 0 0 191.278 1.872 10 0 ADAERN CCCOc1ccc2c(c1)OC[C@H]2O 62806168 572514735 /nfs/dbraw/zinc/51/47/35/572514735.db2.gz YUSBKSKNSUPERS-SNVBAGLBSA-N 0 0 194.230 1.901 10 0 ADAERN Cc1nc(N)cn1CCC(F)(F)F 74267903 572514782 /nfs/dbraw/zinc/51/47/82/572514782.db2.gz UBNZUNGJIQUERF-UHFFFAOYSA-N 0 0 193.172 1.726 10 0 ADAERN CCC[C@H]1C[NH2+]CC[C@@H]1CCC(=O)[O-] 238279442 572514788 /nfs/dbraw/zinc/51/47/88/572514788.db2.gz PWFIGYQRMLKXHG-UWVGGRQHSA-N 0 0 199.294 1.877 10 0 ADAERN CC[C@@H]1C[C@@H](CC[C@@H](C)O)C(=O)O1 238279615 572514804 /nfs/dbraw/zinc/51/48/04/572514804.db2.gz YNHXTKFFTRSZLX-IWSPIJDZSA-N 0 0 186.251 1.489 10 0 ADAERN CCOc1ccc(C=O)c(OCC)n1 238279598 572514815 /nfs/dbraw/zinc/51/48/15/572514815.db2.gz RRVGNQLOJQODIZ-UHFFFAOYSA-N 0 0 195.218 1.692 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H](C[NH3+])C(C)C 238280263 572514823 /nfs/dbraw/zinc/51/48/23/572514823.db2.gz HCYIXNYQSGYKIC-HTQZYQBOSA-N 0 0 173.256 1.328 10 0 ADAERN CCOC(=O)c1nc(CC)c(CC)[nH]1 238279724 572514853 /nfs/dbraw/zinc/51/48/53/572514853.db2.gz VUGDUKSTCPTFHI-UHFFFAOYSA-N 0 0 196.250 1.711 10 0 ADAERN CCOC(=N)c1ccc(C(N)=O)cc1 238279579 572514883 /nfs/dbraw/zinc/51/48/83/572514883.db2.gz LPSPTXQSMPDEBH-UHFFFAOYSA-N 0 0 192.218 1.147 10 0 ADAERN CC[C@@H](COCC(C)C)NC(N)=O 238279404 572514899 /nfs/dbraw/zinc/51/48/99/572514899.db2.gz WIWORRIYEYUASY-QMMMGPOBSA-N 0 0 188.271 1.106 10 0 ADAERN CCCOC[C@](O)(COC)C(C)C 87497031 572514921 /nfs/dbraw/zinc/51/49/21/572514921.db2.gz GQKREWWJQGOZEX-SNVBAGLBSA-N 0 0 190.283 1.447 10 0 ADAERN C=C/C=C/CCn1ccnc(C)c1=O 713718907 572515236 /nfs/dbraw/zinc/51/52/36/572515236.db2.gz NAVUIAOGSZRAKB-SNAWJCMRSA-N 0 0 190.246 1.684 10 0 ADAERN CC[C@H](C)OCn1ccnc1C 308051220 572514934 /nfs/dbraw/zinc/51/49/34/572514934.db2.gz SCIOOWIFYCJSRI-QMMMGPOBSA-N 0 0 168.240 1.964 10 0 ADAERN CCOCC[C@@H](C)[C@H]1COC(=O)N1 238279183 572514950 /nfs/dbraw/zinc/51/49/50/572514950.db2.gz ADJUJZPESFPDIA-HTQZYQBOSA-N 0 0 187.239 1.158 10 0 ADAERN CCOC(=O)[C@](C)(F)C(=O)CC 238279303 572514974 /nfs/dbraw/zinc/51/49/74/572514974.db2.gz GIQDHWMIDQZAKB-MRVPVSSYSA-N 0 0 176.187 1.257 10 0 ADAERN CCOc1ccc(OC)c(C(N)=O)c1 71455377 572514977 /nfs/dbraw/zinc/51/49/77/572514977.db2.gz XOAUAUMPAGGIQM-UHFFFAOYSA-N 0 0 195.218 1.193 10 0 ADAERN CCOC(=O)N[C@@H]1CC=CC[C@H]1CO 238280186 572515010 /nfs/dbraw/zinc/51/50/10/572515010.db2.gz WCOPVTJFGJHQCZ-DTWKUNHWSA-N 0 0 199.250 1.060 10 0 ADAERN CC(=O)N1C[C@@H](C)c2c1coc2C=O 74267794 572515012 /nfs/dbraw/zinc/51/50/12/572515012.db2.gz YLFYRLRPZRTRKX-ZCFIWIBFSA-N 0 0 193.202 1.562 10 0 ADAERN CCC[C@H](C)[C@@H](CO)OCOC 308046949 572515062 /nfs/dbraw/zinc/51/50/62/572515062.db2.gz PWHOOPHKBGYPJW-DTWKUNHWSA-N 0 0 176.256 1.404 10 0 ADAERN COC[C@@](O)(c1ccco1)C(C)C 87496578 572515093 /nfs/dbraw/zinc/51/50/93/572515093.db2.gz KZOQQRLUEQMOBQ-JTQLQIEISA-N 0 0 184.235 1.770 10 0 ADAERN CCC[C@@](O)(COC)C(C)C 87496498 572515107 /nfs/dbraw/zinc/51/51/07/572515107.db2.gz IIYCBRBSHRDOCU-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CCC[C@@H]1O[C@@](C)(CC)O[C@@H]1CO 238279832 572515111 /nfs/dbraw/zinc/51/51/11/572515111.db2.gz RTDLDHBVHMGIOQ-IVZWLZJFSA-N 0 0 188.267 1.689 10 0 ADAERN CC[C@@H](C)OCn1ccnc1C 308051213 572515168 /nfs/dbraw/zinc/51/51/68/572515168.db2.gz SCIOOWIFYCJSRI-MRVPVSSYSA-N 0 0 168.240 1.964 10 0 ADAERN CC[NH2+][C@]1(CC(=O)[O-])CCC[C@H]2C[C@H]21 250647264 572515179 /nfs/dbraw/zinc/51/51/79/572515179.db2.gz OGOUZSUQHIGGFC-NGZCFLSTSA-N 0 0 197.278 1.629 10 0 ADAERN CCOC(=O)c1nc(C)c(OC)o1 238279321 572515296 /nfs/dbraw/zinc/51/52/96/572515296.db2.gz FTTPNMBQLCJMCY-UHFFFAOYSA-N 0 0 185.179 1.168 10 0 ADAERN NN1CCCCC[C@@H]1c1ccccn1 74271641 572515300 /nfs/dbraw/zinc/51/53/00/572515300.db2.gz HZZQSSPLDJEMKH-LLVKDONJSA-N 0 0 191.278 1.872 10 0 ADAERN CCO[C@H](C)C(=O)c1ccc(O)cc1 238279714 572515315 /nfs/dbraw/zinc/51/53/15/572515315.db2.gz ISRLUTYKGKSDOQ-MRVPVSSYSA-N 0 0 194.230 2.000 10 0 ADAERN COC[C@@](O)(C1CC1)C(C)(C)C 87497181 572515433 /nfs/dbraw/zinc/51/54/33/572515433.db2.gz LBUNJLQQJSOXFG-SNVBAGLBSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H]1CC(=O)N(C[C@H](O)C(C)(C)C)C1 62817659 572515441 /nfs/dbraw/zinc/51/54/41/572515441.db2.gz SLYJAIZNMMTBRD-BDAKNGLRSA-N 0 0 199.294 1.262 10 0 ADAERN O[C@@H]1CCc2c([nH]c3c2CCCC3)C1 74271765 572515475 /nfs/dbraw/zinc/51/54/75/572515475.db2.gz YVZZKIUNMOBFRB-MRVPVSSYSA-N 0 0 191.274 1.743 10 0 ADAERN COC[C@@](O)(c1cccs1)C1CC1 87497216 572515470 /nfs/dbraw/zinc/51/54/70/572515470.db2.gz OSBHGZAQQZFYFM-JTQLQIEISA-N 0 0 198.287 1.992 10 0 ADAERN C[C@H]1C[C@H]1C(=O)OC[C@H]1C[C@H]1C 308046692 572515494 /nfs/dbraw/zinc/51/54/94/572515494.db2.gz PSJGXKKLQKOJDB-BZNPZCIMSA-N 0 0 168.236 1.842 10 0 ADAERN COC[C@@](O)(c1cccnc1)C1CC1 87497157 572515572 /nfs/dbraw/zinc/51/55/72/572515572.db2.gz AATNLHTYSPVDHO-NSHDSACASA-N 0 0 193.246 1.326 10 0 ADAERN COCCC(=O)C[C@H]1CCCOC1 689656831 572515604 /nfs/dbraw/zinc/51/56/04/572515604.db2.gz WNLABGBELWZXFN-SECBINFHSA-N 0 0 186.251 1.409 10 0 ADAERN C=C/C=C\CCn1ccnc(C)c1=O 713718906 572515608 /nfs/dbraw/zinc/51/56/08/572515608.db2.gz NAVUIAOGSZRAKB-PLNGDYQASA-N 0 0 190.246 1.684 10 0 ADAERN CCOCC[C@@H](N)C(F)(F)F 238279501 572515641 /nfs/dbraw/zinc/51/56/41/572515641.db2.gz JYVDRUWDKAJUFP-RXMQYKEDSA-N 0 0 171.162 1.303 10 0 ADAERN CC[C@@H](CC(C)C)c1nnc(N)n1N 308046751 572515706 /nfs/dbraw/zinc/51/57/06/572515706.db2.gz CADMSAUVVRRZOS-ZETCQYMHSA-N 0 0 197.286 1.114 10 0 ADAERN Cc1cscc(C)c1=O 196494412 572515713 /nfs/dbraw/zinc/51/57/13/572515713.db2.gz XWDGMHAIPCKURX-UHFFFAOYSA-N 0 0 140.207 1.725 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](C(C)(C)C)C1 250684960 572515730 /nfs/dbraw/zinc/51/57/30/572515730.db2.gz GIHFNWVXVWGLMK-SFYZADRCSA-N 0 0 185.267 1.295 10 0 ADAERN CCOCC[C@@H](C)[C@@H]1COC(=O)N1 238279163 572515731 /nfs/dbraw/zinc/51/57/31/572515731.db2.gz ADJUJZPESFPDIA-SFYZADRCSA-N 0 0 187.239 1.158 10 0 ADAERN C[C@@H]1CN(c2ccccc2)CCN1N 74271642 572515786 /nfs/dbraw/zinc/51/57/86/572515786.db2.gz HOEZFSIRZZBRLK-SNVBAGLBSA-N 0 0 191.278 1.071 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(C)(C)C)C1 250684957 572515895 /nfs/dbraw/zinc/51/58/95/572515895.db2.gz GIHFNWVXVWGLMK-HTQZYQBOSA-N 0 0 185.267 1.295 10 0 ADAERN CC(=O)N1C[C@H](C)c2c1coc2C=O 74267796 572515914 /nfs/dbraw/zinc/51/59/14/572515914.db2.gz YLFYRLRPZRTRKX-LURJTMIESA-N 0 0 193.202 1.562 10 0 ADAERN CCN(C(=O)OC)c1ncc[nH]1 308046962 572515923 /nfs/dbraw/zinc/51/59/23/572515923.db2.gz PWLWZVSWPBCAER-UHFFFAOYSA-N 0 0 169.184 1.002 10 0 ADAERN CCO[C@H](C)CCC[C@H](C)O 238280212 572515927 /nfs/dbraw/zinc/51/59/27/572515927.db2.gz CALLJVAXCOSQBP-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN C/C=C(/C)C(=O)OCCC(C)=O 308047173 572516149 /nfs/dbraw/zinc/51/61/49/572516149.db2.gz PXJIWYLDHOVIOS-DAXSKMNVSA-N 0 0 170.208 1.475 10 0 ADAERN C[C@H](/C=C\c1ccccc1)NC=O 308046756 572516159 /nfs/dbraw/zinc/51/61/59/572516159.db2.gz CBVYSORMEVFHHX-GQYWMQPJSA-N 0 0 175.231 1.834 10 0 ADAERN CCCCC[C@@H](O)[C@@](C)(F)CO 308047478 572516210 /nfs/dbraw/zinc/51/62/10/572516210.db2.gz QEBVESLEIOZNEE-BDAKNGLRSA-N 0 0 178.247 1.648 10 0 ADAERN COC[C@](O)(C(C)C)C(F)(F)F 87496641 572516217 /nfs/dbraw/zinc/51/62/17/572516217.db2.gz ZZGMOCWOQHPYGZ-LURJTMIESA-N 0 0 186.173 1.582 10 0 ADAERN Nc1onc(-c2cccc(F)c2)c1N 74267854 572516248 /nfs/dbraw/zinc/51/62/48/572516248.db2.gz JBMJZJFMHPVCLB-UHFFFAOYSA-N 0 0 193.181 1.645 10 0 ADAERN COC[C@](O)(c1cccnc1)C(C)C 87496114 572516278 /nfs/dbraw/zinc/51/62/78/572516278.db2.gz GVDKIZQAXCKZEW-LLVKDONJSA-N 0 0 195.262 1.572 10 0 ADAERN [NH3+]C[C@@H](O)c1occc1-c1ccco1 74267757 572516284 /nfs/dbraw/zinc/51/62/84/572516284.db2.gz JLUQHBVHZSXTBO-MRVPVSSYSA-N 0 0 193.202 1.532 10 0 ADAERN CC[C@H](CC(C)C)c1nnc(N)n1N 308046750 572516301 /nfs/dbraw/zinc/51/63/01/572516301.db2.gz CADMSAUVVRRZOS-SSDOTTSWSA-N 0 0 197.286 1.114 10 0 ADAERN CC[C@@H](C[C@@H](O)C(C)C)C(=O)NC 238280450 572516355 /nfs/dbraw/zinc/51/63/55/572516355.db2.gz SBNSPHFBTXLKPI-DTWKUNHWSA-N 0 0 187.283 1.166 10 0 ADAERN CCOC/C=C(/CC)C(=O)OC 84202592 572516569 /nfs/dbraw/zinc/51/65/69/572516569.db2.gz TUYCBXVIDMOACZ-VURMDHGXSA-N 0 0 172.224 1.532 10 0 ADAERN CCC[C@](O)(COC)C(C)C 87496501 572516394 /nfs/dbraw/zinc/51/63/94/572516394.db2.gz IIYCBRBSHRDOCU-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CCC[C@@H](C)[C@H](CO)OCOC 308046945 572516417 /nfs/dbraw/zinc/51/64/17/572516417.db2.gz PWHOOPHKBGYPJW-BDAKNGLRSA-N 0 0 176.256 1.404 10 0 ADAERN CC(C)C[C@@]1(C(=O)[O-])CCC[NH2+]C1 62851566 572516429 /nfs/dbraw/zinc/51/64/29/572516429.db2.gz UXQBOZPCDPIICH-JTQLQIEISA-N 0 0 185.267 1.487 10 0 ADAERN C[C@@H](C[NH3+])Nc1cccc(C(=O)[O-])c1 235113533 572516433 /nfs/dbraw/zinc/51/64/33/572516433.db2.gz ISAOGAKQRCSJTN-ZETCQYMHSA-N 0 0 194.234 1.144 10 0 ADAERN COC[C@@](O)(C=C(C)C)C(C)C 87496103 572516440 /nfs/dbraw/zinc/51/64/40/572516440.db2.gz ICGJMCAPVXDTEJ-JTQLQIEISA-N 0 0 172.268 1.986 10 0 ADAERN CC[C@@H]1C[C@H](CC[C@@H](C)O)C(=O)O1 238282701 572516466 /nfs/dbraw/zinc/51/64/66/572516466.db2.gz YNHXTKFFTRSZLX-HRDYMLBCSA-N 0 0 186.251 1.489 10 0 ADAERN CN1c2coc(C=O)c2[C@H]2COC[C@@H]21 74267791 572516492 /nfs/dbraw/zinc/51/64/92/572516492.db2.gz HIRQYHMQWQIHKO-BQBZGAKWSA-N 0 0 193.202 1.024 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)[C@H]1C[C@H]1C 308046683 572516841 /nfs/dbraw/zinc/51/68/41/572516841.db2.gz PSJGXKKLQKOJDB-BGZDPUMWSA-N 0 0 168.236 1.842 10 0 ADAERN CC[C@H](C)S(=O)(=O)N(CC)CC 308051661 572516525 /nfs/dbraw/zinc/51/65/25/572516525.db2.gz SHXZLHICPMPDBE-QMMMGPOBSA-N 0 0 193.312 1.457 10 0 ADAERN COC[C@@]([NH3+])(c1nccs1)C1CC1 87495788 572516526 /nfs/dbraw/zinc/51/65/26/572516526.db2.gz NNNZGTQTUDHQRU-VIFPVBQESA-N 0 0 198.291 1.354 10 0 ADAERN CC/C(=C\COC(C)C)C(=O)OC 84202661 572516544 /nfs/dbraw/zinc/51/65/44/572516544.db2.gz ULLORNGRXXZHIW-RMKNXTFCSA-N 0 0 186.251 1.921 10 0 ADAERN CCC[C@@H]1[C@H](CC)C=NN1C(N)=S 238282974 572516553 /nfs/dbraw/zinc/51/65/53/572516553.db2.gz CMMUMDPHTXWPBX-HTQZYQBOSA-N 0 0 199.323 1.726 10 0 ADAERN CC/C(=C\COCC1CC1)C(=O)OC 84202715 572516567 /nfs/dbraw/zinc/51/65/67/572516567.db2.gz JCQJLOJFOZJITI-UXBLZVDNSA-N 0 0 198.262 1.922 10 0 ADAERN CCCOC/C=C(/CC)C(=O)OC 84202826 572516580 /nfs/dbraw/zinc/51/65/80/572516580.db2.gz NBEMJNXGWFSPOD-TWGQIWQCSA-N 0 0 186.251 1.922 10 0 ADAERN C[C@@H](/C=C\c1ccccc1)NC=O 308046755 572516613 /nfs/dbraw/zinc/51/66/13/572516613.db2.gz CBVYSORMEVFHHX-DMEOUFDRSA-N 0 0 175.231 1.834 10 0 ADAERN COC[C@](O)(COC(C)C)C(C)C 87496856 572516617 /nfs/dbraw/zinc/51/66/17/572516617.db2.gz FEDCFPOTNSOOBP-JTQLQIEISA-N 0 0 190.283 1.445 10 0 ADAERN CCOCC[C@H](C)[C@H]1COC(=O)N1 238280036 572516674 /nfs/dbraw/zinc/51/66/74/572516674.db2.gz ADJUJZPESFPDIA-JGVFFNPUSA-N 0 0 187.239 1.158 10 0 ADAERN C[C@H]1CN(c2ccccc2)CCN1N 74271645 572516687 /nfs/dbraw/zinc/51/66/87/572516687.db2.gz HOEZFSIRZZBRLK-JTQLQIEISA-N 0 0 191.278 1.071 10 0 ADAERN CC[C@@H](C)S(=O)(=O)N(CC)CC 308051660 572516773 /nfs/dbraw/zinc/51/67/73/572516773.db2.gz SHXZLHICPMPDBE-MRVPVSSYSA-N 0 0 193.312 1.457 10 0 ADAERN CCNN(C)C(=S)NC(C)(C)C 238280520 572516797 /nfs/dbraw/zinc/51/67/97/572516797.db2.gz XNLUAPCIDPLFLQ-UHFFFAOYSA-N 0 0 189.328 1.116 10 0 ADAERN CCO[C@H](C)O[C@]1(C)CCC1=O 238283266 572516834 /nfs/dbraw/zinc/51/68/34/572516834.db2.gz SVQNHTFYXKRXQC-IONNQARKSA-N 0 0 172.224 1.507 10 0 ADAERN CC[C@H](C)c1ncc(C(=O)OC)cn1 238283195 572516856 /nfs/dbraw/zinc/51/68/56/572516856.db2.gz QDXYENKWJUAPJJ-ZETCQYMHSA-N 0 0 194.234 1.777 10 0 ADAERN CCOCOC[C@H](C)C(C)=O 238282859 572516859 /nfs/dbraw/zinc/51/68/59/572516859.db2.gz AYIGOLXVVVIHAA-ZETCQYMHSA-N 0 0 160.213 1.222 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)[C@@H]1C[C@H]1C 308046700 572516911 /nfs/dbraw/zinc/51/69/11/572516911.db2.gz PSJGXKKLQKOJDB-FNCVBFRFSA-N 0 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/nfs/dbraw/zinc/51/69/36/572516936.db2.gz QIKQSBPJQQKYRM-CYNONHLPSA-N 0 0 186.251 1.370 10 0 ADAERN CC(C)(C)CC[C@]1(C(=O)[O-])CC[NH2+]C1 62878968 572516944 /nfs/dbraw/zinc/51/69/44/572516944.db2.gz PAURLTSHCUWONB-NSHDSACASA-N 0 0 199.294 1.877 10 0 ADAERN CC(C)[C@H]1CC(Cl)=NO1 210856227 572516945 /nfs/dbraw/zinc/51/69/45/572516945.db2.gz IPAUOVFQTNTXDA-RXMQYKEDSA-N 0 0 147.605 1.984 10 0 ADAERN CCOCOCc1ccccc1O 238283060 572516965 /nfs/dbraw/zinc/51/69/65/572516965.db2.gz BUGHBUFTQHXMCT-UHFFFAOYSA-N 0 0 182.219 1.903 10 0 ADAERN Cc1cnc(-c2ccc(N)nn2)s1 74269404 572516973 /nfs/dbraw/zinc/51/69/73/572516973.db2.gz QXDDMCLCMYEDHV-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN O[C@@H]1CCC[C@H]1CNCC(F)F 84237422 572516991 /nfs/dbraw/zinc/51/69/91/572516991.db2.gz GUQIGWMDLDIBOL-NKWVEPMBSA-N 0 0 179.210 1.002 10 0 ADAERN Cc1cccc(N(C)[C@@H](C)CO)c1N 235110463 572518232 /nfs/dbraw/zinc/51/82/32/572518232.db2.gz JGYNJEGTLLBTHX-VIFPVBQESA-N 0 0 194.278 1.394 10 0 ADAERN CCn1nc(C)cc1C[NH2+]C1CC1 84243511 572517109 /nfs/dbraw/zinc/51/71/09/572517109.db2.gz LSKMMFDUSHSCCK-UHFFFAOYSA-N 0 0 179.267 1.463 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])[C@@H]1CC=CCC1 238280576 572517074 /nfs/dbraw/zinc/51/70/74/572517074.db2.gz ZQLDYHCAEPIQCZ-NXEZZACHSA-N 0 0 197.278 1.796 10 0 ADAERN Cc1nccnc1-c1ncsc1N 74269358 572517175 /nfs/dbraw/zinc/51/71/75/572517175.db2.gz FSLBYISAGHKVFQ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1csc(-c2cnncc2N)n1 74269323 572517166 /nfs/dbraw/zinc/51/71/66/572517166.db2.gz HXYDZDGDOKFGDX-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1nccc(-c2ncsc2N)n1 74269361 572517169 /nfs/dbraw/zinc/51/71/69/572517169.db2.gz NJUYXDMLOWATRX-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCc1cc(C[NH2+]C(C)C)n(C)n1 84243520 572517200 /nfs/dbraw/zinc/51/72/00/572517200.db2.gz SANXXDQGGWJMJG-UHFFFAOYSA-N 0 0 181.283 1.481 10 0 ADAERN Cc1nccc(-c2sncc2N)n1 74269337 572517236 /nfs/dbraw/zinc/51/72/36/572517236.db2.gz LVZZCQNNZRZKDX-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCn1nc(C)cc1C[NH2+][C@H]1C[C@H]1C 84244454 572517240 /nfs/dbraw/zinc/51/72/40/572517240.db2.gz VQJFSSZNOCRISL-KCJUWKMLSA-N 0 0 193.294 1.709 10 0 ADAERN CCO[C@H](C)O[C@H](C)C(=O)CC 238282992 572517242 /nfs/dbraw/zinc/51/72/42/572517242.db2.gz WISNBLPVCFSNAU-SFYZADRCSA-N 0 0 174.240 1.753 10 0 ADAERN CCc1cc(C[NH2+][C@H]2C[C@H]2C)n(C)n1 84244462 572517251 /nfs/dbraw/zinc/51/72/51/572517251.db2.gz HCPYCZJWFIGAGU-KCJUWKMLSA-N 0 0 193.294 1.481 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])[C@H]1CC=CCC1 238280556 572517274 /nfs/dbraw/zinc/51/72/74/572517274.db2.gz ZQLDYHCAEPIQCZ-VHSXEESVSA-N 0 0 197.278 1.796 10 0 ADAERN O=Cc1c[nH]cc1Cc1cncs1 74269485 572517289 /nfs/dbraw/zinc/51/72/89/572517289.db2.gz SLDWGFLBESSJCX-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN CCc1cc(C[NH2+][C@H]2C[C@@H]2C)n(C)n1 84244458 572517298 /nfs/dbraw/zinc/51/72/98/572517298.db2.gz HCPYCZJWFIGAGU-KWQFWETISA-N 0 0 193.294 1.481 10 0 ADAERN CCCC1(C(=O)[O-])CC[NH+](C)CC1 62847201 572517403 /nfs/dbraw/zinc/51/74/03/572517403.db2.gz DUIPDTYKCUFXSZ-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN CCc1cc(C[NH2+]C(C)(C)C)n(C)n1 84243754 572517328 /nfs/dbraw/zinc/51/73/28/572517328.db2.gz ABZASFCIHXOYPG-UHFFFAOYSA-N 0 0 195.310 1.871 10 0 ADAERN Cn1nccc1-c1ccsc1C=O 74269445 572517333 /nfs/dbraw/zinc/51/73/33/572517333.db2.gz GZGKUJPNGJYUTJ-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN CCO[C@H](C)O[C@@H](C)CC(C)=O 238282578 572517363 /nfs/dbraw/zinc/51/73/63/572517363.db2.gz DGSPKQYLBBVTIR-IUCAKERBSA-N 0 0 174.240 1.753 10 0 ADAERN C[C@H](c1c[nH]cn1)[C@H](N)c1ncco1 74269681 572517379 /nfs/dbraw/zinc/51/73/79/572517379.db2.gz BPKZGBXPUWHMHR-SVRRBLITSA-N 0 0 192.222 1.201 10 0 ADAERN Cc1csc(-c2cnnc(N)n2)c1 74269377 572517410 /nfs/dbraw/zinc/51/74/10/572517410.db2.gz WXKVKEGVHZXNJI-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC[C@@H](O)/C=C/c1cccc(CO)c1 238283006 572517411 /nfs/dbraw/zinc/51/74/11/572517411.db2.gz ZWWSNLSTLILANS-NNNHXZLVSA-N 0 0 192.258 1.963 10 0 ADAERN CC[C@@H](C)[C@H]([NH3+])C(C)(C)C(=O)[O-] 308050123 572517415 /nfs/dbraw/zinc/51/74/15/572517415.db2.gz RRANBDLAWDKGLW-RQJHMYQMSA-N 0 0 173.256 1.471 10 0 ADAERN C[C@H]1C[C@H]1COC(=O)C(C)(C)F 308049643 572517449 /nfs/dbraw/zinc/51/74/49/572517449.db2.gz RKVYTEZTCNGERO-BQBZGAKWSA-N 0 0 174.215 1.934 10 0 ADAERN C/C=C/C(Br)=C\CO 307785239 572517525 /nfs/dbraw/zinc/51/75/25/572517525.db2.gz NVMGKLRNPPDOGI-WJPDYIDTSA-N 0 0 177.041 1.834 10 0 ADAERN CCn1nc(C)cc1CCC(C)=O 84245445 572517537 /nfs/dbraw/zinc/51/75/37/572517537.db2.gz AMMBNGRWTVTFPO-UHFFFAOYSA-N 0 0 180.251 1.733 10 0 ADAERN CCO[C@H](C)O[C@@H](C)C(=O)CC 238282541 572517538 /nfs/dbraw/zinc/51/75/38/572517538.db2.gz WISNBLPVCFSNAU-YUMQZZPRSA-N 0 0 174.240 1.753 10 0 ADAERN CCc1cc(CCC(C)=O)n(C)n1 84245443 572517549 /nfs/dbraw/zinc/51/75/49/572517549.db2.gz MLMHMXXUKUJXMY-UHFFFAOYSA-N 0 0 180.251 1.504 10 0 ADAERN NN1CCCCC[C@H]1c1ccncn1 74268824 572517582 /nfs/dbraw/zinc/51/75/82/572517582.db2.gz UCUHGTIDDUTSCS-JTQLQIEISA-N 0 0 192.266 1.267 10 0 ADAERN C=CS(=O)(=O)N(C)C(C)(C)CC 308050092 572517624 /nfs/dbraw/zinc/51/76/24/572517624.db2.gz RPKVOZRDRKTYNA-UHFFFAOYSA-N 0 0 191.296 1.580 10 0 ADAERN Nc1nsc(Cc2ccccn2)n1 74269382 572517641 /nfs/dbraw/zinc/51/76/41/572517641.db2.gz MMBCOKHPYPGZCG-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN CCOCCc1c(C)noc1N 238280970 572517655 /nfs/dbraw/zinc/51/76/55/572517655.db2.gz BMMDRILDISLFLC-UHFFFAOYSA-N 0 0 170.212 1.144 10 0 ADAERN O=Cc1cc(Cc2cccs2)[nH]n1 74269514 572517664 /nfs/dbraw/zinc/51/76/64/572517664.db2.gz XUAVVIKKHASNSB-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN CCOCCc1ccc(O)c(OC)c1 238281101 572517674 /nfs/dbraw/zinc/51/76/74/572517674.db2.gz DCFZFPUPIJEYQU-UHFFFAOYSA-N 0 0 196.246 1.980 10 0 ADAERN CCc1cc(CC(N)=S)n(CC)n1 84244866 572517709 /nfs/dbraw/zinc/51/77/09/572517709.db2.gz GLXDFTYBVSHOAC-UHFFFAOYSA-N 0 0 197.307 1.294 10 0 ADAERN CCONCc1cc(CC)nn1C 84244761 572517716 /nfs/dbraw/zinc/51/77/16/572517716.db2.gz OAOLUMVDJZBKIV-UHFFFAOYSA-N 0 0 183.255 1.024 10 0 ADAERN C[C@H](c1c[nH]cn1)[C@@H](N)c1ncco1 74269686 572517724 /nfs/dbraw/zinc/51/77/24/572517724.db2.gz BPKZGBXPUWHMHR-HTRCEHHLSA-N 0 0 192.222 1.201 10 0 ADAERN Nc1ccc([C@@H]2CCCCN2N)cn1 74268821 572517763 /nfs/dbraw/zinc/51/77/63/572517763.db2.gz KFRBZZNOQKBRGO-VIFPVBQESA-N 0 0 192.266 1.065 10 0 ADAERN Nc1c(-c2cccs2)cc[nH]c1=O 74269448 572517783 /nfs/dbraw/zinc/51/77/83/572517783.db2.gz AVRVMFFHCNOCBP-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN CC[C@@H](C(N)=O)[C@H](O)C1CCCC1 238281148 572517786 /nfs/dbraw/zinc/51/77/86/572517786.db2.gz CDGSIZYKXPHGHG-RKDXNWHRSA-N 0 0 185.267 1.049 10 0 ADAERN CCONCc1cc(CC)nn1CC 84244755 572517805 /nfs/dbraw/zinc/51/78/05/572517805.db2.gz VOAZEFYJKGLXKB-UHFFFAOYSA-N 0 0 197.282 1.507 10 0 ADAERN CC/C=C\C(=O)NCCC 307784681 572517812 /nfs/dbraw/zinc/51/78/12/572517812.db2.gz AIHACPVHNXKCMQ-WAYWQWQTSA-N 0 0 141.214 1.479 10 0 ADAERN CC[C@@H](C(C)=O)[C@H](C)OC(C)=O 238280010 572517823 /nfs/dbraw/zinc/51/78/23/572517823.db2.gz VLJODTIJVVOLSJ-CBAPKCEASA-N 0 0 172.224 1.553 10 0 ADAERN O[C@H]1CCC[C@@H]1CNCC(F)F 84237424 572517847 /nfs/dbraw/zinc/51/78/47/572517847.db2.gz GUQIGWMDLDIBOL-RQJHMYQMSA-N 0 0 179.210 1.002 10 0 ADAERN Nn1cc(-c2ccncc2)[nH]c1=S 74269386 572517861 /nfs/dbraw/zinc/51/78/61/572517861.db2.gz ZYGJXHMQPVMACG-UHFFFAOYSA-N 0 0 192.247 1.321 10 0 ADAERN CCn1nc(C)cc1C[NH2+]C1CCC1 84244429 572517888 /nfs/dbraw/zinc/51/78/88/572517888.db2.gz NVJUTWFXAGGUTL-UHFFFAOYSA-N 0 0 193.294 1.854 10 0 ADAERN CCO[C@H](C)O[C@H](C)CC(C)=O 238283016 572518651 /nfs/dbraw/zinc/51/86/51/572518651.db2.gz DGSPKQYLBBVTIR-BDAKNGLRSA-N 0 0 174.240 1.753 10 0 ADAERN Cc1cccc([C@@H]2COCCN2N)c1 74269200 572517913 /nfs/dbraw/zinc/51/79/13/572517913.db2.gz SZQNCRJCVIQQJG-NSHDSACASA-N 0 0 192.262 1.242 10 0 ADAERN O[C@@H]1CCC[C@@H]1CNCC(F)F 84237419 572517951 /nfs/dbraw/zinc/51/79/51/572517951.db2.gz GUQIGWMDLDIBOL-RNFRBKRXSA-N 0 0 179.210 1.002 10 0 ADAERN CCc1cc(C[NH2+]C2CC2)n(C)n1 84243513 572517967 /nfs/dbraw/zinc/51/79/67/572517967.db2.gz QZFGPCHXDKFPOY-UHFFFAOYSA-N 0 0 179.267 1.235 10 0 ADAERN CCC(=O)[C@@H](C)Cc1cc(C)nn1C 84245596 572518015 /nfs/dbraw/zinc/51/80/15/572518015.db2.gz CLAZNOIZIQJNLT-QMMMGPOBSA-N 0 0 194.278 1.886 10 0 ADAERN CCOCOCc1ccc(CO)cc1 238283036 572518021 /nfs/dbraw/zinc/51/80/21/572518021.db2.gz PWPUEYGUICUYJS-UHFFFAOYSA-N 0 0 196.246 1.690 10 0 ADAERN CC(C)C[C@]1(C(=O)[O-])CCC[NH2+]C1 62851565 572518047 /nfs/dbraw/zinc/51/80/47/572518047.db2.gz UXQBOZPCDPIICH-SNVBAGLBSA-N 0 0 185.267 1.487 10 0 ADAERN C=C/C=C/[C@H](C(=O)OC)[C@H](O)CC 238279959 572518051 /nfs/dbraw/zinc/51/80/51/572518051.db2.gz WNADQKBCPGWKIU-PUCWJLDJSA-N 0 0 184.235 1.289 10 0 ADAERN NCc1nc2cc(C=O)ccc2s1 74269428 572518055 /nfs/dbraw/zinc/51/80/55/572518055.db2.gz NWSDQFACKFPYSH-UHFFFAOYSA-N 0 0 192.243 1.568 10 0 ADAERN C/C=C\C(Br)=C\CO 307785235 572518067 /nfs/dbraw/zinc/51/80/67/572518067.db2.gz NVMGKLRNPPDOGI-BXAWZMCCSA-N 0 0 177.041 1.834 10 0 ADAERN CCn1nc(C)cc1C[NH2+][C@H]1C[C@@H]1C 84244449 572518072 /nfs/dbraw/zinc/51/80/72/572518072.db2.gz VQJFSSZNOCRISL-KWQFWETISA-N 0 0 193.294 1.709 10 0 ADAERN CC[C@H]1[C@@H](CC(=O)[O-])CCC[N@@H+]1CC 238283335 572518662 /nfs/dbraw/zinc/51/86/62/572518662.db2.gz IANGNDASEQUREN-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CON(C)C/C=C\Cl 307783799 572518108 /nfs/dbraw/zinc/51/81/08/572518108.db2.gz NLLNFIYDXGCCLR-ARJAWSKDSA-N 0 0 135.594 1.232 10 0 ADAERN CCO[C@H](C)C1=NO[C@@H](C(C)C)N1 238279966 572518130 /nfs/dbraw/zinc/51/81/30/572518130.db2.gz AVLLXBPOPGZKHX-APPZFPTMSA-N 0 0 186.255 1.327 10 0 ADAERN Cc1nc(Cc2ccccn2)ccc1N 235954176 572518589 /nfs/dbraw/zinc/51/85/89/572518589.db2.gz VNAAFLDTFCECEF-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN CCC(=O)CCc1cc(C)nn1C 84245468 572518156 /nfs/dbraw/zinc/51/81/56/572518156.db2.gz XRRNJXAUATYYFQ-UHFFFAOYSA-N 0 0 180.251 1.640 10 0 ADAERN CC[C@H](C)[C@@H]([NH3+])C(C)(C)C(=O)[O-] 308050121 572518212 /nfs/dbraw/zinc/51/82/12/572518212.db2.gz RRANBDLAWDKGLW-NKWVEPMBSA-N 0 0 173.256 1.471 10 0 ADAERN CCO[C@H](C)Cc1nc(C)cc(=O)[nH]1 238280873 572518217 /nfs/dbraw/zinc/51/82/17/572518217.db2.gz ACGUBLRWCSRXBC-MRVPVSSYSA-N 0 0 196.250 1.046 10 0 ADAERN C/C=C\C(Br)=C/CO 307785236 572518328 /nfs/dbraw/zinc/51/83/28/572518328.db2.gz NVMGKLRNPPDOGI-MGLVMYNNSA-N 0 0 177.041 1.834 10 0 ADAERN CCC[NH2+]Cc1cc(CC)nn1C 84243744 572518344 /nfs/dbraw/zinc/51/83/44/572518344.db2.gz LWVJGSMKVJBSTG-UHFFFAOYSA-N 0 0 181.283 1.482 10 0 ADAERN Cc1ncc(-c2ncsc2N)cn1 74269367 572518347 /nfs/dbraw/zinc/51/83/47/572518347.db2.gz PPQXMTFPQAZRQN-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cn1c(-c2cccs2)cnc1C=O 74269472 572518351 /nfs/dbraw/zinc/51/83/51/572518351.db2.gz HSZRXALLVLAVCE-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C1CCCC1 250650453 572518364 /nfs/dbraw/zinc/51/83/64/572518364.db2.gz WOAVHQMAAJRNCJ-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN CCO[C@@H](CCO)C[C@@H](C)OCC 238280649 572518371 /nfs/dbraw/zinc/51/83/71/572518371.db2.gz OYSVRRIKKGOMHX-ZJUUUORDSA-N 0 0 190.283 1.589 10 0 ADAERN Cc1nnc(C[NH2+]CCCC2CC2)o1 235950640 572518377 /nfs/dbraw/zinc/51/83/77/572518377.db2.gz FWQFCXUBCYSZDS-UHFFFAOYSA-N 0 0 195.266 1.658 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]1CC1CCC1 250650947 572518399 /nfs/dbraw/zinc/51/83/99/572518399.db2.gz WSRWBXUXYOZGNN-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)C(C)(C)F 308049646 572518409 /nfs/dbraw/zinc/51/84/09/572518409.db2.gz RKVYTEZTCNGERO-RQJHMYQMSA-N 0 0 174.215 1.934 10 0 ADAERN Cc1cc(-c2ncsc2N)ncn1 74269369 572518451 /nfs/dbraw/zinc/51/84/51/572518451.db2.gz UUQGMTDHAZXHED-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN O=C([O-])[C@@]1(CC2CCCC2)CC[NH2+]C1 62878867 572518458 /nfs/dbraw/zinc/51/84/58/572518458.db2.gz XDRYFMNJRIOCOR-LLVKDONJSA-N 0 0 197.278 1.631 10 0 ADAERN Cc1ccc(-c2sncc2N)nn1 74269342 572518463 /nfs/dbraw/zinc/51/84/63/572518463.db2.gz QWXNSPVEGNWHLE-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1nnc(C[NH2+]CC2(C)CC2)o1 235949984 572518550 /nfs/dbraw/zinc/51/85/50/572518550.db2.gz TYFWSEPGSSANDG-UHFFFAOYSA-N 0 0 181.239 1.268 10 0 ADAERN Cc1ccc(-c2cnc(N)nn2)s1 74269400 572518495 /nfs/dbraw/zinc/51/84/95/572518495.db2.gz DNVUPQISZBGPSL-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1csnc1-c1ncncc1N 74269354 572518609 /nfs/dbraw/zinc/51/86/09/572518609.db2.gz FEFZUXRKRZLNCE-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCc1cc(C[C@@H](O)CC)n(CC)n1 84262756 572520749 /nfs/dbraw/zinc/52/07/49/572520749.db2.gz MZNGURDMFVIHEJ-NSHDSACASA-N 0 0 196.294 1.779 10 0 ADAERN CCc1cc(C[NH2+]C2CCC2)n(C)n1 84244431 572518515 /nfs/dbraw/zinc/51/85/15/572518515.db2.gz QJULLRRDOUYXOS-UHFFFAOYSA-N 0 0 193.294 1.625 10 0 ADAERN CCNN(C(N)=S)c1ccccc1 238280484 572518525 /nfs/dbraw/zinc/51/85/25/572518525.db2.gz WKDKJQGDGAJQGX-UHFFFAOYSA-N 0 0 195.291 1.261 10 0 ADAERN CC[C@@H]1C[C@H](CCC(=O)[O-])[N@H+](C)C1 238282639 572518529 /nfs/dbraw/zinc/51/85/29/572518529.db2.gz FOAZJXRQWZXINS-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[NH2+]Cc1cc(CC)nn1CC 84243740 572518537 /nfs/dbraw/zinc/51/85/37/572518537.db2.gz JGKJDRLHHNSFGE-UHFFFAOYSA-N 0 0 195.310 1.965 10 0 ADAERN C/C=C/C[NH+]1CCC(C)(C(=O)[O-])CC1 62844293 572518629 /nfs/dbraw/zinc/51/86/29/572518629.db2.gz FLKXQLNKWIGEFC-ONEGZZNKSA-N 0 0 197.278 1.749 10 0 ADAERN CCc1cc(CNOC)n(CC)n1 84244751 572518636 /nfs/dbraw/zinc/51/86/36/572518636.db2.gz RFHVIJIJKHCXJR-UHFFFAOYSA-N 0 0 183.255 1.116 10 0 ADAERN C=CC=CCC[C@@H](O)c1nc[nH]n1 713719308 572519705 /nfs/dbraw/zinc/51/97/05/572519705.db2.gz KJSXTFGXCZFCEB-MPJRPATESA-N 0 0 179.223 1.361 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]1CC1CCC1 250650944 572519715 /nfs/dbraw/zinc/51/97/15/572519715.db2.gz WSRWBXUXYOZGNN-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C1CCCC1 250650451 572518952 /nfs/dbraw/zinc/51/89/52/572518952.db2.gz WOAVHQMAAJRNCJ-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H](c1ccc[nH]1)N1CCC(=O)CC1 74268880 572518977 /nfs/dbraw/zinc/51/89/77/572518977.db2.gz QVJBYNBPKUOCCR-SECBINFHSA-N 0 0 192.262 1.741 10 0 ADAERN O=Cc1c[nH]c(CN2CCCCC2)c1 74269009 572518989 /nfs/dbraw/zinc/51/89/89/572518989.db2.gz PXFTUKNWMOGZHU-UHFFFAOYSA-N 0 0 192.262 1.813 10 0 ADAERN Cc1cc(CCC(=O)C2CC2)n(C)n1 84245582 572518991 /nfs/dbraw/zinc/51/89/91/572518991.db2.gz CTPBQMKCJREIJI-UHFFFAOYSA-N 0 0 192.262 1.640 10 0 ADAERN C[C@@H](c1ccc[nH]1)N1CCC(=O)CC1 74268878 572519032 /nfs/dbraw/zinc/51/90/32/572519032.db2.gz QVJBYNBPKUOCCR-VIFPVBQESA-N 0 0 192.262 1.741 10 0 ADAERN CCC[C@H]1C[C@@H](C)N(CCO)C1=O 238281251 572519038 /nfs/dbraw/zinc/51/90/38/572519038.db2.gz ZNSBWJZBPQERQK-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1csc(-c2ncncc2N)n1 74269355 572519039 /nfs/dbraw/zinc/51/90/39/572519039.db2.gz NXQOIMVNHBLONH-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C=CC=CCC[C@H](O)c1nc[nH]n1 713719310 572519090 /nfs/dbraw/zinc/51/90/90/572519090.db2.gz KJSXTFGXCZFCEB-RTMURIBGSA-N 0 0 179.223 1.361 10 0 ADAERN CCO[C@H](C)O[C@@]1(C)CCC1=O 238282924 572519092 /nfs/dbraw/zinc/51/90/92/572519092.db2.gz SVQNHTFYXKRXQC-CBAPKCEASA-N 0 0 172.224 1.507 10 0 ADAERN CCO[C@H](C)C1=NO[C@H](C(C)C)N1 238279976 572519100 /nfs/dbraw/zinc/51/91/00/572519100.db2.gz AVLLXBPOPGZKHX-VXNVDRBHSA-N 0 0 186.255 1.327 10 0 ADAERN CCO[C@H](C)O[C@@H](C)C/C=C/CO 238282613 572519118 /nfs/dbraw/zinc/51/91/18/572519118.db2.gz DBVFTNOLPKAAQK-QEBMPYFUSA-N 0 0 188.267 1.713 10 0 ADAERN CCOc1ccc(CCCO)cc1O 238281033 572519135 /nfs/dbraw/zinc/51/91/35/572519135.db2.gz RZUVAQKIMPFRDF-UHFFFAOYSA-N 0 0 196.246 1.716 10 0 ADAERN Cc1cccc([C@H]2COCCN2N)c1 74269203 572519139 /nfs/dbraw/zinc/51/91/39/572519139.db2.gz SZQNCRJCVIQQJG-LLVKDONJSA-N 0 0 192.262 1.242 10 0 ADAERN O=C([O-])[C@]1(CC2CCCC2)CC[NH2+]C1 62878869 572519140 /nfs/dbraw/zinc/51/91/40/572519140.db2.gz XDRYFMNJRIOCOR-NSHDSACASA-N 0 0 197.278 1.631 10 0 ADAERN CCCCS[C@H](C)C(=O)N1CC1 308050732 572519144 /nfs/dbraw/zinc/51/91/44/572519144.db2.gz RXNQDMSUMFZQGY-MRVPVSSYSA-N 0 0 187.308 1.750 10 0 ADAERN CC[C@@H](c1ccco1)[C@H]([NH3+])C(=O)[O-] 238280554 572519157 /nfs/dbraw/zinc/51/91/57/572519157.db2.gz GCBSCLCAGMDKDO-XPUUQOCRSA-N 0 0 183.207 1.185 10 0 ADAERN Cc1ncsc1-c1cnncc1N 74269325 572519199 /nfs/dbraw/zinc/51/91/99/572519199.db2.gz MXNQXMJKVGYFIQ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCC[C@@H]1[C@H](CC)C=NN1C(N)=O 238282961 572519215 /nfs/dbraw/zinc/51/92/15/572519215.db2.gz QTWMFWXWTUHGQE-HTQZYQBOSA-N 0 0 183.255 1.561 10 0 ADAERN Cc1nnc(C[NH2+]CCC2CCC2)o1 235950569 572519235 /nfs/dbraw/zinc/51/92/35/572519235.db2.gz JELHOUBQSMLFQO-UHFFFAOYSA-N 0 0 195.266 1.658 10 0 ADAERN Cc1cc2nc(C=O)sc2cc1N 74269425 572519246 /nfs/dbraw/zinc/51/92/46/572519246.db2.gz OYVOFSCSFYIZNO-UHFFFAOYSA-N 0 0 192.243 1.999 10 0 ADAERN CCc1cc(C[NH2+]CC2CC2)n(C)n1 84243608 572519278 /nfs/dbraw/zinc/51/92/78/572519278.db2.gz AYMPAZYFJSSLAK-UHFFFAOYSA-N 0 0 193.294 1.482 10 0 ADAERN CCC(=O)CCc1cc(CC)nn1C 84245462 572519308 /nfs/dbraw/zinc/51/93/08/572519308.db2.gz UOKRRLPNDOLGQG-UHFFFAOYSA-N 0 0 194.278 1.894 10 0 ADAERN CCn1nc(C)cc1C[NH2+][C@@H]1C[C@@H]1C 84244448 572519346 /nfs/dbraw/zinc/51/93/46/572519346.db2.gz VQJFSSZNOCRISL-GZMMTYOYSA-N 0 0 193.294 1.709 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)C(C)(C)F 308049645 572519349 /nfs/dbraw/zinc/51/93/49/572519349.db2.gz RKVYTEZTCNGERO-RNFRBKRXSA-N 0 0 174.215 1.934 10 0 ADAERN Nn1cc(-c2ccccn2)[nH]c1=S 74269384 572519351 /nfs/dbraw/zinc/51/93/51/572519351.db2.gz FQHWQZVMZLQEJS-UHFFFAOYSA-N 0 0 192.247 1.321 10 0 ADAERN CC[NH2+]Cc1cc(CC)nn1CC 84243521 572519352 /nfs/dbraw/zinc/51/93/52/572519352.db2.gz FKUUGHVTBAGICQ-UHFFFAOYSA-N 0 0 181.283 1.575 10 0 ADAERN CCONCc1cc(C)nn1CC 84244759 572519360 /nfs/dbraw/zinc/51/93/60/572519360.db2.gz HQCGCVOEWVDIMI-UHFFFAOYSA-N 0 0 183.255 1.253 10 0 ADAERN C=CC=CCC[C@H](O)c1nc[nH]n1 713719313 572519431 /nfs/dbraw/zinc/51/94/31/572519431.db2.gz KJSXTFGXCZFCEB-VEMNSZJBSA-N 0 0 179.223 1.361 10 0 ADAERN CC[C@@H](Cc1cc(C)nn1C)C(C)=O 84245505 572519466 /nfs/dbraw/zinc/51/94/66/572519466.db2.gz OAYDJCJNHOYMNP-JTQLQIEISA-N 0 0 194.278 1.886 10 0 ADAERN CC[C@@H](O)c1cccn1CCCO 238285006 572519597 /nfs/dbraw/zinc/51/95/97/572519597.db2.gz QFHDYQWOUYVUAC-SNVBAGLBSA-N 0 0 183.251 1.314 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])C(C)(C)C(=O)[O-] 308050120 572519611 /nfs/dbraw/zinc/51/96/11/572519611.db2.gz RRANBDLAWDKGLW-BQBZGAKWSA-N 0 0 173.256 1.471 10 0 ADAERN Cc1nnc(C[NH2+]CCC2CC2)o1 235950553 572519646 /nfs/dbraw/zinc/51/96/46/572519646.db2.gz HKRDNTMDYHJTGC-UHFFFAOYSA-N 0 0 181.239 1.268 10 0 ADAERN CC(C)SCC(=O)OC1COC1 308050482 572519753 /nfs/dbraw/zinc/51/97/53/572519753.db2.gz RVWUACATOUBNHC-UHFFFAOYSA-N 0 0 190.264 1.070 10 0 ADAERN NCc1nsc(-c2ccccn2)n1 74269318 572519657 /nfs/dbraw/zinc/51/96/57/572519657.db2.gz NXVAMGXMBACNTC-UHFFFAOYSA-N 0 0 192.247 1.059 10 0 ADAERN CC[C@H](C)OC(=O)NCOC(C)=O 238285101 572519678 /nfs/dbraw/zinc/51/96/78/572519678.db2.gz LXAKZODDAQLTJC-LURJTMIESA-N 0 0 189.211 1.032 10 0 ADAERN Cc1cc(CCC(=O)C(C)C)n(C)n1 84245477 572519692 /nfs/dbraw/zinc/51/96/92/572519692.db2.gz PJHLLNZEVPWLQD-UHFFFAOYSA-N 0 0 194.278 1.886 10 0 ADAERN CCCOC(=O)[C@@H](CO)C(C)C 308050689 572519693 /nfs/dbraw/zinc/51/96/93/572519693.db2.gz RXAUCMXDKIGWAY-QMMMGPOBSA-N 0 0 174.240 1.204 10 0 ADAERN CCn1nc(C)cc1C[NH2+]C(C)C 84243517 572519763 /nfs/dbraw/zinc/51/97/63/572519763.db2.gz FOTORWDYOLVDPJ-UHFFFAOYSA-N 0 0 181.283 1.709 10 0 ADAERN NN1CCCCC[C@@H]1c1ccncn1 74268827 572519778 /nfs/dbraw/zinc/51/97/78/572519778.db2.gz UCUHGTIDDUTSCS-SNVBAGLBSA-N 0 0 192.266 1.267 10 0 ADAERN CCCOC(=O)[C@H](CO)C(C)C 308050685 572519802 /nfs/dbraw/zinc/51/98/02/572519802.db2.gz RXAUCMXDKIGWAY-MRVPVSSYSA-N 0 0 174.240 1.204 10 0 ADAERN Cn1ccc(-c2cc(C=O)sn2)c1 74269483 572519838 /nfs/dbraw/zinc/51/98/38/572519838.db2.gz PSCJHIZQNYYZIA-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN CCCC[NH2+]Cc1cc(CC)nn1C 84243670 572519861 /nfs/dbraw/zinc/51/98/61/572519861.db2.gz ANQPQOIHVRMVKT-UHFFFAOYSA-N 0 0 195.310 1.872 10 0 ADAERN CC(C)c1nc(N)nc2c1CCN2C 74268863 572519883 /nfs/dbraw/zinc/51/98/83/572519883.db2.gz QOWDSOJDRYUJGU-UHFFFAOYSA-N 0 0 192.266 1.175 10 0 ADAERN CCO[C@H](C)[C@H](O)C[C@@H]1C=CC1 238284675 572519921 /nfs/dbraw/zinc/51/99/21/572519921.db2.gz IWCQSZJSGONUMD-OPRDCNLKSA-N 0 0 170.252 1.739 10 0 ADAERN CCn1nc(C)cc1C[NH2+]CC1CC1 84243606 572519938 /nfs/dbraw/zinc/51/99/38/572519938.db2.gz MFGWGXNVLHXZOJ-UHFFFAOYSA-N 0 0 193.294 1.711 10 0 ADAERN CSC[C@@H](O)c1ccc(C)nc1 62949670 572519964 /nfs/dbraw/zinc/51/99/64/572519964.db2.gz UHFHTNNUCBKKOZ-SECBINFHSA-N 0 0 183.276 1.786 10 0 ADAERN Nc1ccc([C@H]2CCCCN2N)cn1 74268823 572519971 /nfs/dbraw/zinc/51/99/71/572519971.db2.gz KFRBZZNOQKBRGO-SECBINFHSA-N 0 0 192.266 1.065 10 0 ADAERN CCc1ccc(OCCO)cc1O 238288093 572519986 /nfs/dbraw/zinc/51/99/86/572519986.db2.gz REPWLDHDXXFYRL-UHFFFAOYSA-N 0 0 182.219 1.326 10 0 ADAERN CCC(=O)[C@H](C)Cc1cc(C)nn1C 84245598 572519987 /nfs/dbraw/zinc/51/99/87/572519987.db2.gz CLAZNOIZIQJNLT-MRVPVSSYSA-N 0 0 194.278 1.886 10 0 ADAERN CC[C@@H](O)c1ccnc(OC)c1CO 238285069 572520003 /nfs/dbraw/zinc/52/00/03/572520003.db2.gz BMXQUIVIXWRYHC-SECBINFHSA-N 0 0 197.234 1.026 10 0 ADAERN C[C@@H](c1c[nH]cn1)[C@@H](N)c1ncco1 74269684 572520021 /nfs/dbraw/zinc/52/00/21/572520021.db2.gz BPKZGBXPUWHMHR-POYBYMJQSA-N 0 0 192.222 1.201 10 0 ADAERN CCc1cc(C[NH2+][C@@H]2C[C@H]2C)n(C)n1 84244459 572520022 /nfs/dbraw/zinc/52/00/22/572520022.db2.gz HCPYCZJWFIGAGU-LDYMZIIASA-N 0 0 193.294 1.481 10 0 ADAERN Cc1cc(CC[C@H](O)C(C)C)n(C)n1 84266588 572521815 /nfs/dbraw/zinc/52/18/15/572521815.db2.gz WHCJXBQKPSPWRY-NSHDSACASA-N 0 0 196.294 1.678 10 0 ADAERN Cc1nc(-c2cnncc2N)cs1 74269327 572520053 /nfs/dbraw/zinc/52/00/53/572520053.db2.gz XNPPTNUMVAGIRT-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C=CC(=O)N(C)c1ccccc1C=O 238284765 572520059 /nfs/dbraw/zinc/52/00/59/572520059.db2.gz AHZPEXFYSJLCNF-UHFFFAOYSA-N 0 0 189.214 1.648 10 0 ADAERN CSC[C@H](O)c1ccc(C)nc1 62949671 572520068 /nfs/dbraw/zinc/52/00/68/572520068.db2.gz UHFHTNNUCBKKOZ-VIFPVBQESA-N 0 0 183.276 1.786 10 0 ADAERN CCn1nc(C)cc1C[C@H](C)C(C)=O 84245487 572520077 /nfs/dbraw/zinc/52/00/77/572520077.db2.gz GUSWUYWXEQXMBV-QMMMGPOBSA-N 0 0 194.278 1.979 10 0 ADAERN C=C/C(=C/C)[C@@H](NCC)C(=O)OCC 238284457 572520146 /nfs/dbraw/zinc/52/01/46/572520146.db2.gz JYKSEIDCIDBGOS-ABRRARGCSA-N 0 0 197.278 1.660 10 0 ADAERN C=CC(=O)N(C)c1ccccc1CO 238284782 572520156 /nfs/dbraw/zinc/52/01/56/572520156.db2.gz RPTAYOGSIOPWJG-UHFFFAOYSA-N 0 0 191.230 1.328 10 0 ADAERN C[C@@H](c1c[nH]cn1)[C@H](N)c1ncco1 74269679 572520159 /nfs/dbraw/zinc/52/01/59/572520159.db2.gz BPKZGBXPUWHMHR-XPUUQOCRSA-N 0 0 192.222 1.201 10 0 ADAERN CCc1cc(C[NH2+]C(C)C)n(CC)n1 84243515 572520161 /nfs/dbraw/zinc/52/01/61/572520161.db2.gz OYSJKNWTNUNSMW-UHFFFAOYSA-N 0 0 195.310 1.963 10 0 ADAERN CCc1cc(C[C@@H](C)C(C)=O)n(C)n1 84245479 572520169 /nfs/dbraw/zinc/52/01/69/572520169.db2.gz HHLOWVLDBOQDIH-MRVPVSSYSA-N 0 0 194.278 1.750 10 0 ADAERN CCCC(=O)Cc1cc(C)nn1C 84263707 572521223 /nfs/dbraw/zinc/52/12/23/572521223.db2.gz XUIFKSPILLKQJC-UHFFFAOYSA-N 0 0 180.251 1.640 10 0 ADAERN CSC[C@@H]([NH3+])c1ccc(C)nc1 62950391 572520186 /nfs/dbraw/zinc/52/01/86/572520186.db2.gz CFWGIQQQRUUOOT-SECBINFHSA-N 0 0 182.292 1.753 10 0 ADAERN CC[C@H](Cc1cc(C)nn1C)C(C)=O 84245508 572520215 /nfs/dbraw/zinc/52/02/15/572520215.db2.gz OAYDJCJNHOYMNP-SNVBAGLBSA-N 0 0 194.278 1.886 10 0 ADAERN CCO[C@H](C)/C=C/C[C@@H](C)O 238284878 572520231 /nfs/dbraw/zinc/52/02/31/572520231.db2.gz WHULKCVAVAQDSQ-LKJMDQPVSA-N 0 0 158.241 1.739 10 0 ADAERN CCCCS[C@@H](C)C(=O)N1CC1 308050733 572520291 /nfs/dbraw/zinc/52/02/91/572520291.db2.gz RXNQDMSUMFZQGY-QMMMGPOBSA-N 0 0 187.308 1.750 10 0 ADAERN Cc1ccc([C@@H](O)C2CC2)cn1 62949579 572520361 /nfs/dbraw/zinc/52/03/61/572520361.db2.gz RUCHBEWDKXUNGM-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN CCCN(C)C(=O)N1CCCO1 308050110 572520365 /nfs/dbraw/zinc/52/03/65/572520365.db2.gz RQPJRKYWNJPTRN-UHFFFAOYSA-N 0 0 172.228 1.086 10 0 ADAERN Cc1ccc([C@H](O)C2CC2)cn1 62949578 572520412 /nfs/dbraw/zinc/52/04/12/572520412.db2.gz RUCHBEWDKXUNGM-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN CC[C@@](C)(CC(C)=O)NC(C)=O 238287668 572520427 /nfs/dbraw/zinc/52/04/27/572520427.db2.gz SZEWFKKGQFQMCK-VIFPVBQESA-N 0 0 171.240 1.270 10 0 ADAERN O=C(NC1CC1)/C(Cl)=C/Cl 307785940 572520617 /nfs/dbraw/zinc/52/06/17/572520617.db2.gz DCSMCIAGTCYVDA-HYXAFXHYSA-N 0 0 180.034 1.584 10 0 ADAERN C=C(C(=O)OCC)C1=CCCC[C@@H]1O 238285254 572521288 /nfs/dbraw/zinc/52/12/88/572521288.db2.gz GMFLENRTSKIDHS-JTQLQIEISA-N 0 0 196.246 1.577 10 0 ADAERN CSC[C@H]([NH3+])c1ccc(C)nc1 62950392 572520507 /nfs/dbraw/zinc/52/05/07/572520507.db2.gz CFWGIQQQRUUOOT-VIFPVBQESA-N 0 0 182.292 1.753 10 0 ADAERN CC[C@@H]1C(=O)N[C@@H]1[C@@H](C)OC(C)(C)C 238284548 572520513 /nfs/dbraw/zinc/52/05/13/572520513.db2.gz JSKUFRLNKIARQS-HRDYMLBCSA-N 0 0 199.294 1.715 10 0 ADAERN CCOC(=O)N[C@H](CO)[C@H](C)CC 238284906 572520559 /nfs/dbraw/zinc/52/05/59/572520559.db2.gz CZRWRPZMYCNARB-HTQZYQBOSA-N 0 0 189.255 1.140 10 0 ADAERN CCc1ccc(O)cc1[C@@H](CO)[NH2+]C 238284613 572520564 /nfs/dbraw/zinc/52/05/64/572520564.db2.gz PJLZAURRVCVAEI-LLVKDONJSA-N 0 0 195.262 1.207 10 0 ADAERN CCCC(=O)Cc1cc(CC)nn1C 84263698 572520590 /nfs/dbraw/zinc/52/05/90/572520590.db2.gz WLXSILHNFRHDQY-UHFFFAOYSA-N 0 0 194.278 1.894 10 0 ADAERN O[C@@H]1Nc2ccccc2S1 45261342 572520594 /nfs/dbraw/zinc/52/05/94/572520594.db2.gz MVWOCGJKKHUIKM-ZETCQYMHSA-N 0 0 153.206 1.480 10 0 ADAERN CCc1cc(C[C@@H](O)C(C)C)n(C)n1 84262339 572520601 /nfs/dbraw/zinc/52/06/01/572520601.db2.gz ORKBXYYBJHZGQQ-LLVKDONJSA-N 0 0 196.294 1.542 10 0 ADAERN CCC(=O)O[C@H](CC)C(=O)CC 238286312 572520608 /nfs/dbraw/zinc/52/06/08/572520608.db2.gz GLDVYZHVYBSMKG-MRVPVSSYSA-N 0 0 172.224 1.697 10 0 ADAERN CCc1cc(CC[C@@H](O)CC)n(C)n1 84266583 572520609 /nfs/dbraw/zinc/52/06/09/572520609.db2.gz WIYYTNVSMFICNL-NSHDSACASA-N 0 0 196.294 1.686 10 0 ADAERN CC(C)(C)C[C@@H]1[NH2+]C[C@@H]2[C@@H](C(=O)[O-])[C@H]12 250687435 572520631 /nfs/dbraw/zinc/52/06/31/572520631.db2.gz HPDKFIRXMDRGQE-XSPKLOCKSA-N 0 0 197.278 1.341 10 0 ADAERN CC(=O)C[C@H](C)Cc1cc(C)nn1C 84268789 572520645 /nfs/dbraw/zinc/52/06/45/572520645.db2.gz REMGVDZCBHSBFF-QMMMGPOBSA-N 0 0 194.278 1.886 10 0 ADAERN Cc1c(-c2oncc2N)nn(C)c1C 74269878 572520646 /nfs/dbraw/zinc/52/06/46/572520646.db2.gz VTQFMVGQFBZCME-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN Cc1ccn(-c2cc(C=O)oc2C)n1 74275165 572520647 /nfs/dbraw/zinc/52/06/47/572520647.db2.gz LNGBXMKPXSCKTR-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN COC[C@@H]([NH3+])c1ccc(C)nc1 62950175 572520660 /nfs/dbraw/zinc/52/06/60/572520660.db2.gz GEKXMOZBQZXYCC-SECBINFHSA-N 0 0 166.224 1.036 10 0 ADAERN CCOC[C@@H](C)[C@H]1CCC(=O)NC1 238285235 572521322 /nfs/dbraw/zinc/52/13/22/572521322.db2.gz ZZXAXEYPLHODEG-BDAKNGLRSA-N 0 0 185.267 1.185 10 0 ADAERN CC/C=C(/CNC(C)=O)C(=O)OCC 238284668 572521324 /nfs/dbraw/zinc/52/13/24/572521324.db2.gz FMJOJBZPVCTKEG-TWGQIWQCSA-N 0 0 199.250 1.022 10 0 ADAERN CCSC[C@@](C)(CO)C(C)=O 238285083 572520671 /nfs/dbraw/zinc/52/06/71/572520671.db2.gz WZEKXYGAQUIKER-MRVPVSSYSA-N 0 0 176.281 1.327 10 0 ADAERN C[C@@H]1CCCCC12CC(=O)NC(=O)C2 62950777 572520673 /nfs/dbraw/zinc/52/06/73/572520673.db2.gz JAHRIYUECFYPGW-MRVPVSSYSA-N 0 0 195.262 1.620 10 0 ADAERN CCc1cc(C[C@@H](O)CC)n(C)n1 84262747 572520675 /nfs/dbraw/zinc/52/06/75/572520675.db2.gz JEOZGIILFNDAJY-JTQLQIEISA-N 0 0 182.267 1.296 10 0 ADAERN CCn1nc(C)cc1C[C@H](C)[C@@H](C)O 84266625 572520691 /nfs/dbraw/zinc/52/06/91/572520691.db2.gz BGOOWDUOCBAENH-WCBMZHEXSA-N 0 0 196.294 1.771 10 0 ADAERN CC[C@@H]([NH3+])c1ccncc1C(=O)OC 238284720 572520692 /nfs/dbraw/zinc/52/06/92/572520692.db2.gz ZIKAGZRACDSBEN-SECBINFHSA-N 0 0 194.234 1.278 10 0 ADAERN CCOC[C@@H](C)[C@@H]1CCC(=O)NC1 238285129 572520699 /nfs/dbraw/zinc/52/06/99/572520699.db2.gz ZZXAXEYPLHODEG-RKDXNWHRSA-N 0 0 185.267 1.185 10 0 ADAERN CCC[C@@H](O)Cc1cc(C)nn1C 84262615 572520700 /nfs/dbraw/zinc/52/07/00/572520700.db2.gz IVSGROJVRQJNLU-SNVBAGLBSA-N 0 0 182.267 1.432 10 0 ADAERN CCOC(=O)N[C@H]1CC=CC[C@@H]1CO 238285255 572520708 /nfs/dbraw/zinc/52/07/08/572520708.db2.gz WCOPVTJFGJHQCZ-BDAKNGLRSA-N 0 0 199.250 1.060 10 0 ADAERN CC[C@@H](OC)C(CO)(CO)C(C)C 238287761 572520711 /nfs/dbraw/zinc/52/07/11/572520711.db2.gz ALHTXRYGKUCFEZ-SECBINFHSA-N 0 0 190.283 1.038 10 0 ADAERN CCc1cc(CC[C@H](C)CO)n(C)n1 84269430 572520714 /nfs/dbraw/zinc/52/07/14/572520714.db2.gz JTTMKDYNCUTGMV-VIFPVBQESA-N 0 0 196.294 1.544 10 0 ADAERN CCc1nc2cc(CO)ccc2n1C 45238282 572520717 /nfs/dbraw/zinc/52/07/17/572520717.db2.gz KITWFHXWIXRWIW-UHFFFAOYSA-N 0 0 190.246 1.628 10 0 ADAERN CCn1nc(C)cc1CCC[C@@H](C)O 84269311 572520724 /nfs/dbraw/zinc/52/07/24/572520724.db2.gz HNYHUECCASUSDI-SNVBAGLBSA-N 0 0 196.294 1.915 10 0 ADAERN O=Cc1nonc1-c1ccc(O)cc1 74275328 572520739 /nfs/dbraw/zinc/52/07/39/572520739.db2.gz AIXLYEMEUYOBKW-UHFFFAOYSA-N 0 0 190.158 1.255 10 0 ADAERN c1nc2c(ccc3nonc32)s1 45236219 572520740 /nfs/dbraw/zinc/52/07/40/572520740.db2.gz XABXXZQKGVLGMG-UHFFFAOYSA-N 0 0 177.188 1.833 10 0 ADAERN CC[C@@H](OC)O[C@@H](C)CCO 238287838 572521330 /nfs/dbraw/zinc/52/13/30/572521330.db2.gz MOAXCROQJGTVTL-YUMQZZPRSA-N 0 0 162.229 1.156 10 0 ADAERN c1cc2cnncn3cnc(c1)c23 45238405 572520755 /nfs/dbraw/zinc/52/07/55/572520755.db2.gz KIGATMFIFBWPJI-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN c1ccc2c(c1)nc1n2CC1 45238593 572520765 /nfs/dbraw/zinc/52/07/65/572520765.db2.gz GBVDGYQXXFICNE-UHFFFAOYSA-N 0 0 144.177 1.592 10 0 ADAERN CC[C@@H](C)[C@H](O)Cc1cc(C)nn1C 84262455 572520797 /nfs/dbraw/zinc/52/07/97/572520797.db2.gz JPDPCEQXCMINLV-LDYMZIIASA-N 0 0 196.294 1.678 10 0 ADAERN CN(C)Cc1nc2c(N)cccc2[nH]1 45238640 572520854 /nfs/dbraw/zinc/52/08/54/572520854.db2.gz JFMUJKNEUYSEEU-UHFFFAOYSA-N 0 0 190.250 1.207 10 0 ADAERN Cc1nc(-n2cc(N)nc2C)oc1C 74269882 572521338 /nfs/dbraw/zinc/52/13/38/572521338.db2.gz JZNNPOWUCMSOIP-UHFFFAOYSA-N 0 0 192.222 1.368 10 0 ADAERN C[C@H](c1cc[nH]n1)[C@H](N)c1ncco1 74269711 572520859 /nfs/dbraw/zinc/52/08/59/572520859.db2.gz BISCUVAPQOEKQF-SVRRBLITSA-N 0 0 192.222 1.201 10 0 ADAERN CC[C@H](Cc1cc(C)nn1C)[C@H](C)O 84266521 572520866 /nfs/dbraw/zinc/52/08/66/572520866.db2.gz YZSLSTBJODGQOF-VHSXEESVSA-N 0 0 196.294 1.678 10 0 ADAERN CCc1cc(CC(=O)C2CC2)n(C)n1 84263711 572520871 /nfs/dbraw/zinc/52/08/71/572520871.db2.gz LLCBUINMKSJBSM-UHFFFAOYSA-N 0 0 192.262 1.504 10 0 ADAERN CCn1nc(C)cc1CCCO 84267949 572520879 /nfs/dbraw/zinc/52/08/79/572520879.db2.gz KGFULNLPJCSNLN-UHFFFAOYSA-N 0 0 168.240 1.136 10 0 ADAERN CC[C@](C)([NH3+])Oc1cccc(C=O)c1 238284583 572520901 /nfs/dbraw/zinc/52/09/01/572520901.db2.gz QJTAMVGHGJFZOC-LLVKDONJSA-N 0 0 193.246 1.963 10 0 ADAERN CCn1nc(C)cc1C[C@](C)(O)CC 84261861 572520904 /nfs/dbraw/zinc/52/09/04/572520904.db2.gz FXWWIGKZKWVUPR-LLVKDONJSA-N 0 0 196.294 1.915 10 0 ADAERN C[N@@H+]1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@H]2C1 250667129 572521339 /nfs/dbraw/zinc/52/13/39/572521339.db2.gz ZYRJEEJZNRMQGT-AEJSXWLSSA-N 0 0 197.278 1.439 10 0 ADAERN CC[C@@H](N)c1nnc([C@H](O)C(C)C)o1 238287626 572520930 /nfs/dbraw/zinc/52/09/30/572520930.db2.gz PNNWDNOHRLNGDW-RNFRBKRXSA-N 0 0 199.254 1.169 10 0 ADAERN CCc1ccc(O)cc1[C@H](CO)[NH2+]C 238284810 572522111 /nfs/dbraw/zinc/52/21/11/572522111.db2.gz PJLZAURRVCVAEI-NSHDSACASA-N 0 0 195.262 1.207 10 0 ADAERN C[N@@H+]1CC[C@@H]1[C@H](CC(=O)[O-])C1CCC1 250653571 572520974 /nfs/dbraw/zinc/52/09/74/572520974.db2.gz XHJDPNJGGHFNQE-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H](c1cc[nH]n1)[C@@H](N)c1ncco1 74269714 572520999 /nfs/dbraw/zinc/52/09/99/572520999.db2.gz BISCUVAPQOEKQF-HTRCEHHLSA-N 0 0 192.222 1.201 10 0 ADAERN CCn1nc(C)cc1C[C@@H](C)[C@H](C)O 84266626 572521013 /nfs/dbraw/zinc/52/10/13/572521013.db2.gz BGOOWDUOCBAENH-SCZZXKLOSA-N 0 0 196.294 1.771 10 0 ADAERN CCc1cc(C[C@H](O)CC)n(C)n1 84262740 572521016 /nfs/dbraw/zinc/52/10/16/572521016.db2.gz JEOZGIILFNDAJY-SNVBAGLBSA-N 0 0 182.267 1.296 10 0 ADAERN CCc1cc(C[C@H](O)CC)n(CC)n1 84262752 572521030 /nfs/dbraw/zinc/52/10/30/572521030.db2.gz MZNGURDMFVIHEJ-LLVKDONJSA-N 0 0 196.294 1.779 10 0 ADAERN CCC[C@@H](O)CCc1cc(C)nn1C 84266547 572521038 /nfs/dbraw/zinc/52/10/38/572521038.db2.gz CKZCJBIRKTXMCV-LLVKDONJSA-N 0 0 196.294 1.822 10 0 ADAERN CC(C)c1cc(-c2n[nH]cc2N)no1 74269888 572521046 /nfs/dbraw/zinc/52/10/46/572521046.db2.gz LUWLCAGEBDZUHQ-UHFFFAOYSA-N 0 0 192.222 1.770 10 0 ADAERN Cc1cc(CCC[C@H](C)O)n(C)n1 84269305 572521048 /nfs/dbraw/zinc/52/10/48/572521048.db2.gz TZRHWHHUVVXIMA-VIFPVBQESA-N 0 0 182.267 1.432 10 0 ADAERN CCc1cc(C[C@H](C)[C@@H](C)O)n(C)n1 84266633 572521054 /nfs/dbraw/zinc/52/10/54/572521054.db2.gz TVORDOKRLCPPOQ-DTWKUNHWSA-N 0 0 196.294 1.542 10 0 ADAERN CC[C@H](C)O[C@](C)(OC)C(C)=O 238287643 572521057 /nfs/dbraw/zinc/52/10/57/572521057.db2.gz WWPNYICSDAYCHV-CBAPKCEASA-N 0 0 174.240 1.753 10 0 ADAERN C[N@@H+]1CC[C@H]([C@@H](C(=O)[O-])C2CC2)C1 250665245 572521062 /nfs/dbraw/zinc/52/10/62/572521062.db2.gz ZPENMOLRRPHUAS-IUCAKERBSA-N 0 0 183.251 1.049 10 0 ADAERN Cc1cc(C[C@H](C)C[C@H](C)O)n(C)n1 84269446 572521064 /nfs/dbraw/zinc/52/10/64/572521064.db2.gz RBDSZBFWDIMCQC-SCZZXKLOSA-N 0 0 196.294 1.678 10 0 ADAERN CC[C@H]1[C@H](CC(=O)[O-])CC[N@@H+]1CC 238287580 572521065 /nfs/dbraw/zinc/52/10/65/572521065.db2.gz HUVXNVOTMKFOOU-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN Nc1occ2c1ncn2-c1ccon1 74275233 572521080 /nfs/dbraw/zinc/52/10/80/572521080.db2.gz QPNIJONCKUPOOY-UHFFFAOYSA-N 0 0 190.162 1.189 10 0 ADAERN Cn1cc(C=O)c(Cc2ccco2)n1 74275141 572521101 /nfs/dbraw/zinc/52/11/01/572521101.db2.gz GJHLIBCUGXCCHQ-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CCn1nc(C)cc1C[C@@H](O)C1CC1 84262544 572521102 /nfs/dbraw/zinc/52/11/02/572521102.db2.gz LBGHZHQXGJNILK-LLVKDONJSA-N 0 0 194.278 1.525 10 0 ADAERN Cc1cc(C[C@@H](C)C[C@@H](C)O)n(C)n1 84269440 572521107 /nfs/dbraw/zinc/52/11/07/572521107.db2.gz RBDSZBFWDIMCQC-WCBMZHEXSA-N 0 0 196.294 1.678 10 0 ADAERN CC[C@@H](O)CCCc1cc(C)nn1C 84269385 572521112 /nfs/dbraw/zinc/52/11/12/572521112.db2.gz BXPGNZPYVYBYHB-LLVKDONJSA-N 0 0 196.294 1.822 10 0 ADAERN CCc1cc(C[C@@H](C)O)n(CC)n1 84262720 572521133 /nfs/dbraw/zinc/52/11/33/572521133.db2.gz SJAYNTVBNBXFCJ-MRVPVSSYSA-N 0 0 182.267 1.389 10 0 ADAERN Cc1cc(CC(=O)CC(C)C)n(C)n1 84263663 572521138 /nfs/dbraw/zinc/52/11/38/572521138.db2.gz ZJPNVNZTBMWYOV-UHFFFAOYSA-N 0 0 194.278 1.886 10 0 ADAERN CCc1cc(CCCC(C)=O)n(C)n1 84268724 572521156 /nfs/dbraw/zinc/52/11/56/572521156.db2.gz KYAFLUYSMZDFJF-UHFFFAOYSA-N 0 0 194.278 1.894 10 0 ADAERN CCc1cc(CC[C@H](C)O)n(C)n1 84266506 572521192 /nfs/dbraw/zinc/52/11/92/572521192.db2.gz UCMMJPGXFNURCM-QMMMGPOBSA-N 0 0 182.267 1.296 10 0 ADAERN COC[C@@](C)([NH3+])c1ccc(C)nc1 62949407 572521203 /nfs/dbraw/zinc/52/12/03/572521203.db2.gz AQGPPKFKWIDIRD-SNVBAGLBSA-N 0 0 180.251 1.210 10 0 ADAERN CCn1nc(C)cc1C[C@@](C)(O)CC 84261858 572521206 /nfs/dbraw/zinc/52/12/06/572521206.db2.gz FXWWIGKZKWVUPR-NSHDSACASA-N 0 0 196.294 1.915 10 0 ADAERN CCC[C@H](O)Cc1cc(C)nn1CC 84262634 572521265 /nfs/dbraw/zinc/52/12/65/572521265.db2.gz NVSKXSFOCPAKNK-NSHDSACASA-N 0 0 196.294 1.915 10 0 ADAERN CCC[C@@H](O)Cc1cc(C)nn1CC 84262637 572521271 /nfs/dbraw/zinc/52/12/71/572521271.db2.gz NVSKXSFOCPAKNK-LLVKDONJSA-N 0 0 196.294 1.915 10 0 ADAERN CCc1cc(C[C@@H](C)[C@@H](C)O)n(C)n1 84266631 572521276 /nfs/dbraw/zinc/52/12/76/572521276.db2.gz TVORDOKRLCPPOQ-RKDXNWHRSA-N 0 0 196.294 1.542 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 250653710 572521280 /nfs/dbraw/zinc/52/12/80/572521280.db2.gz XJNBUNBIUPKNOV-HRDYMLBCSA-N 0 0 183.251 1.191 10 0 ADAERN OCn1cnc2ccc(Cl)cc21 45238515 572521284 /nfs/dbraw/zinc/52/12/84/572521284.db2.gz JWVPJCYWIQAJIH-UHFFFAOYSA-N 0 0 182.610 1.640 10 0 ADAERN CCc1cc(CC(C)(C)O)n(CC)n1 84261828 572521292 /nfs/dbraw/zinc/52/12/92/572521292.db2.gz LDNQTJDZWLUAJO-UHFFFAOYSA-N 0 0 196.294 1.779 10 0 ADAERN CCc1cc(C[C@H](O)C2CC2)n(C)n1 84262523 572521299 /nfs/dbraw/zinc/52/12/99/572521299.db2.gz DFDLRDGUQZONIC-NSHDSACASA-N 0 0 194.278 1.296 10 0 ADAERN CC[C@@H](C)C(=O)Cc1cc(C)nn1C 84263867 572521314 /nfs/dbraw/zinc/52/13/14/572521314.db2.gz VRFLDNWJZGXURB-MRVPVSSYSA-N 0 0 194.278 1.886 10 0 ADAERN Cc1cnc(CNCc2cc[nH]c2)o1 235954896 572521361 /nfs/dbraw/zinc/52/13/61/572521361.db2.gz IGXJXUNLYFQDNW-UHFFFAOYSA-N 0 0 191.234 1.601 10 0 ADAERN CCc1nc(-c2cncc(N)c2)n[nH]1 62947378 572521363 /nfs/dbraw/zinc/52/13/63/572521363.db2.gz HBGCRNOSOVEECT-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN C/C=C/C[N@@H+]1CC[C@](C)(C(=O)[O-])C1 62936051 572521381 /nfs/dbraw/zinc/52/13/81/572521381.db2.gz AULIWTVFRRCVRR-FSIBCCDJSA-N 0 0 183.251 1.359 10 0 ADAERN CC[C@@H](N)c1nc2c(C)cnnc2o1 74269815 572521617 /nfs/dbraw/zinc/52/16/17/572521617.db2.gz MLQKFBKHEJXVHS-ZCFIWIBFSA-N 0 0 192.222 1.336 10 0 ADAERN Cc1cc(C)n(-c2oc(N)nc2C)n1 74269991 572521472 /nfs/dbraw/zinc/52/14/72/572521472.db2.gz ABBDBYMXDZYCRJ-UHFFFAOYSA-N 0 0 192.222 1.368 10 0 ADAERN CCc1cc(CC[C@@H](C)O)n(C)n1 84266504 572521479 /nfs/dbraw/zinc/52/14/79/572521479.db2.gz UCMMJPGXFNURCM-MRVPVSSYSA-N 0 0 182.267 1.296 10 0 ADAERN CC(=O)N1C[C@@H](C)c2cc(C=O)[nH]c21 74270340 572521487 /nfs/dbraw/zinc/52/14/87/572521487.db2.gz WZFSYPBDQLUHFK-ZCFIWIBFSA-N 0 0 192.218 1.297 10 0 ADAERN Cc1nc2c(N(C)C)cccc2[nH]1 45238378 572521494 /nfs/dbraw/zinc/52/14/94/572521494.db2.gz VDHVKAZCXRSEBC-UHFFFAOYSA-N 0 0 175.235 1.937 10 0 ADAERN CCn1nc(C)cc1CC[C@H](C)CO 84269433 572521619 /nfs/dbraw/zinc/52/16/19/572521619.db2.gz CPUZNUJSLIWWQV-VIFPVBQESA-N 0 0 196.294 1.772 10 0 ADAERN COc1ccc2nc(CN)oc2c1C 74270310 572521519 /nfs/dbraw/zinc/52/15/19/572521519.db2.gz VMOIAUMDFOJINY-UHFFFAOYSA-N 0 0 192.218 1.604 10 0 ADAERN Cc1cc(CC[C@H](C)CO)n(C)n1 84269426 572521526 /nfs/dbraw/zinc/52/15/26/572521526.db2.gz PWCISBYJWJKPAH-QMMMGPOBSA-N 0 0 182.267 1.290 10 0 ADAERN Cc1cc(CC[C@@H](O)C2CC2)n(C)n1 84266700 572521580 /nfs/dbraw/zinc/52/15/80/572521580.db2.gz AIHVZZUQQAEUSL-LLVKDONJSA-N 0 0 194.278 1.432 10 0 ADAERN CCc1cc(CCCO)n(CC)n1 84267947 572521603 /nfs/dbraw/zinc/52/16/03/572521603.db2.gz HKNUOMWHIFFHLG-UHFFFAOYSA-N 0 0 182.267 1.390 10 0 ADAERN CCc1cc(C[C@@](C)(O)CC)n(C)n1 84261847 572521606 /nfs/dbraw/zinc/52/16/06/572521606.db2.gz GIQUZBAZOQRELW-NSHDSACASA-N 0 0 196.294 1.686 10 0 ADAERN CCn1nc(C)cc1CC[C@@H](C)CO 84269431 572521624 /nfs/dbraw/zinc/52/16/24/572521624.db2.gz CPUZNUJSLIWWQV-SECBINFHSA-N 0 0 196.294 1.772 10 0 ADAERN CCc1cc(C[C@@H](C)[C@H](C)O)n(C)n1 84266636 572521655 /nfs/dbraw/zinc/52/16/55/572521655.db2.gz TVORDOKRLCPPOQ-BDAKNGLRSA-N 0 0 196.294 1.542 10 0 ADAERN Cc1cc2[nH]c(N)[nH+]c2c([O-])c1C 45238418 572521787 /nfs/dbraw/zinc/52/17/87/572521787.db2.gz NFTDCJGYMWJFOA-UHFFFAOYSA-N 0 0 177.207 1.468 10 0 ADAERN CC[C@@H](O)[C@H](C)Cc1cc(C)nn1C 84266722 572521764 /nfs/dbraw/zinc/52/17/64/572521764.db2.gz FNBDKTVCPAHQKL-LDYMZIIASA-N 0 0 196.294 1.678 10 0 ADAERN CCn1nc(C)cc1CC[C@H](C)O 84266503 572521769 /nfs/dbraw/zinc/52/17/69/572521769.db2.gz IQWINJHKMJWGKH-VIFPVBQESA-N 0 0 182.267 1.525 10 0 ADAERN CC[C@@H](O)Cc1cc(C)nn1CC 84262761 572521811 /nfs/dbraw/zinc/52/18/11/572521811.db2.gz QKWJNQQRCNKIPW-SNVBAGLBSA-N 0 0 182.267 1.525 10 0 ADAERN Nc1occ2ncn(-c3ccon3)c12 74275229 572521839 /nfs/dbraw/zinc/52/18/39/572521839.db2.gz HZFJUJPKVWXTNN-UHFFFAOYSA-N 0 0 190.162 1.189 10 0 ADAERN Cc1cc(CCCCO)n(C)n1 84269296 572521889 /nfs/dbraw/zinc/52/18/89/572521889.db2.gz CYXJFVLULRYYSU-UHFFFAOYSA-N 0 0 168.240 1.044 10 0 ADAERN CSCC(=O)c1ccc(C)nc1 62949478 572521890 /nfs/dbraw/zinc/52/18/90/572521890.db2.gz PNFMERLIMDQYRD-UHFFFAOYSA-N 0 0 181.260 1.936 10 0 ADAERN CC[C@H](O)CCc1cc(C)nn1CC 84266577 572521898 /nfs/dbraw/zinc/52/18/98/572521898.db2.gz FTNMZFDGMNBNSY-NSHDSACASA-N 0 0 196.294 1.915 10 0 ADAERN CCc1cc(CCO)n(CC)n1 84263016 572521922 /nfs/dbraw/zinc/52/19/22/572521922.db2.gz XOQFPDIDTYLWPV-UHFFFAOYSA-N 0 0 168.240 1.000 10 0 ADAERN O=Cc1nonc1-c1cccc(O)c1 74275325 572521935 /nfs/dbraw/zinc/52/19/35/572521935.db2.gz CXYYTIUZQTYEJP-UHFFFAOYSA-N 0 0 190.158 1.255 10 0 ADAERN CCCC[C@@H](O)Cc1cc(C)nn1C 84262772 572521950 /nfs/dbraw/zinc/52/19/50/572521950.db2.gz JQFKQGOJDSWOGK-LLVKDONJSA-N 0 0 196.294 1.822 10 0 ADAERN CCc1cc(C[C@H](C)O)n(CC)n1 84262723 572521963 /nfs/dbraw/zinc/52/19/63/572521963.db2.gz SJAYNTVBNBXFCJ-QMMMGPOBSA-N 0 0 182.267 1.389 10 0 ADAERN CCn1nc(C)cc1C[C@@H](C)[C@@H](C)O 84266622 572522005 /nfs/dbraw/zinc/52/20/05/572522005.db2.gz BGOOWDUOCBAENH-PSASIEDQSA-N 0 0 196.294 1.771 10 0 ADAERN Cc1nc(-c2cnc([C@H](C)N)o2)c[nH]1 74269793 572522059 /nfs/dbraw/zinc/52/20/59/572522059.db2.gz RGAVEUIYTUEBBP-YFKPBYRVSA-N 0 0 192.222 1.393 10 0 ADAERN CC[C@@H](Cc1cc(C)nn1C)[C@H](C)O 84266520 572522075 /nfs/dbraw/zinc/52/20/75/572522075.db2.gz YZSLSTBJODGQOF-UWVGGRQHSA-N 0 0 196.294 1.678 10 0 ADAERN N#Cc1c(F)ccc2nc(C=O)oc12 74275334 572522076 /nfs/dbraw/zinc/52/20/76/572522076.db2.gz QGOYLJUDTBXXGS-UHFFFAOYSA-N 0 0 190.133 1.651 10 0 ADAERN Cc1cc(C[C@H](O)CC(C)C)n(C)n1 84262641 572522105 /nfs/dbraw/zinc/52/21/05/572522105.db2.gz LQVAVUBDXCYSGE-LLVKDONJSA-N 0 0 196.294 1.678 10 0 ADAERN Cc1cn([C@H]2CCCSC2)c(N)[nH+]1 235958204 572522120 /nfs/dbraw/zinc/52/21/20/572522120.db2.gz QNOIUQNKYCYYAN-QMMMGPOBSA-N 0 0 197.307 1.842 10 0 ADAERN CNC(=O)c1nc2c(C)cccc2[nH]1 45238646 572522144 /nfs/dbraw/zinc/52/21/44/572522144.db2.gz ZUNASKGUWIJFOS-UHFFFAOYSA-N 0 0 189.218 1.231 10 0 ADAERN COC[C@H]([NH3+])c1ccc(C)nc1 62950176 572522148 /nfs/dbraw/zinc/52/21/48/572522148.db2.gz GEKXMOZBQZXYCC-VIFPVBQESA-N 0 0 166.224 1.036 10 0 ADAERN Cc1nc(CN)oc1Cc1ccco1 74270260 572522152 /nfs/dbraw/zinc/52/21/52/572522152.db2.gz DWRFMVDLWPYFAC-UHFFFAOYSA-N 0 0 192.218 1.626 10 0 ADAERN Cc1cc(C[C@@H](O)CC(C)C)n(C)n1 84262648 572522177 /nfs/dbraw/zinc/52/21/77/572522177.db2.gz LQVAVUBDXCYSGE-NSHDSACASA-N 0 0 196.294 1.678 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1cc(C)nn1C 84266719 572522192 /nfs/dbraw/zinc/52/21/92/572522192.db2.gz FNBDKTVCPAHQKL-GZMMTYOYSA-N 0 0 196.294 1.678 10 0 ADAERN CCC[C@H](O)Cc1cc(C)nn1C 84262612 572522220 /nfs/dbraw/zinc/52/22/20/572522220.db2.gz IVSGROJVRQJNLU-JTQLQIEISA-N 0 0 182.267 1.432 10 0 ADAERN CCc1cc(CC[C@@H](C)CO)n(C)n1 84269428 572522246 /nfs/dbraw/zinc/52/22/46/572522246.db2.gz JTTMKDYNCUTGMV-SECBINFHSA-N 0 0 196.294 1.544 10 0 ADAERN CC(=O)CCCc1cc(C)nn1C 84268727 572522273 /nfs/dbraw/zinc/52/22/73/572522273.db2.gz KEEAWXBETBAAKU-UHFFFAOYSA-N 0 0 180.251 1.640 10 0 ADAERN CCn1nc(C)cc1CC(=O)C1CC1 84263720 572522279 /nfs/dbraw/zinc/52/22/79/572522279.db2.gz VXLKBEVNBCWJQM-UHFFFAOYSA-N 0 0 192.262 1.733 10 0 ADAERN Cc1ccn(-c2cc(C)c(C=O)o2)n1 74275162 572522286 /nfs/dbraw/zinc/52/22/86/572522286.db2.gz GQQFWVQIQDKEFN-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN C[C@H]1CCCCC12CC(=O)NC(=O)C2 62950778 572522579 /nfs/dbraw/zinc/52/25/79/572522579.db2.gz JAHRIYUECFYPGW-QMMMGPOBSA-N 0 0 195.262 1.620 10 0 ADAERN CCc1cc(CCC[C@H](C)O)n(C)n1 84269308 572522582 /nfs/dbraw/zinc/52/25/82/572522582.db2.gz JLORROADWSLLBX-VIFPVBQESA-N 0 0 196.294 1.686 10 0 ADAERN CCn1c(=O)[nH]c2cc(F)ccc21 45238518 572522360 /nfs/dbraw/zinc/52/23/60/572522360.db2.gz UZBHNEWKAQIBDD-UHFFFAOYSA-N 0 0 180.182 1.489 10 0 ADAERN CCC(O)(CC)Cc1cc(C)nn1C 84261864 572522366 /nfs/dbraw/zinc/52/23/66/572522366.db2.gz HAMKFRIBJVVIMS-UHFFFAOYSA-N 0 0 196.294 1.822 10 0 ADAERN CC[C@H](C)C(=O)Cc1cc(C)nn1C 84263872 572522375 /nfs/dbraw/zinc/52/23/75/572522375.db2.gz VRFLDNWJZGXURB-QMMMGPOBSA-N 0 0 194.278 1.886 10 0 ADAERN COC[C@](C)(O)c1ccc(C)nc1 62949289 572522389 /nfs/dbraw/zinc/52/23/89/572522389.db2.gz NHGGBGQOYUVRLM-JTQLQIEISA-N 0 0 181.235 1.244 10 0 ADAERN CCO[C@H](C)/C=C/C[C@H](C)O 238284892 572522415 /nfs/dbraw/zinc/52/24/15/572522415.db2.gz WHULKCVAVAQDSQ-KSOOHAFHSA-N 0 0 158.241 1.739 10 0 ADAERN CCC(=O)Cc1cc(CC)nn1C 84263680 572522430 /nfs/dbraw/zinc/52/24/30/572522430.db2.gz JWDVJOQSWZSZKG-UHFFFAOYSA-N 0 0 180.251 1.504 10 0 ADAERN CCC(=O)Cc1cc(C)nn1CC 84263687 572522445 /nfs/dbraw/zinc/52/24/45/572522445.db2.gz KJTPQGPHKDILFT-UHFFFAOYSA-N 0 0 180.251 1.733 10 0 ADAERN CCn1nc(C)cc1C[C@H](C)[C@H](C)O 84266629 572522459 /nfs/dbraw/zinc/52/24/59/572522459.db2.gz BGOOWDUOCBAENH-WPRPVWTQSA-N 0 0 196.294 1.771 10 0 ADAERN COC[C@@](C)(O)c1ccc(C)nc1 62949288 572522460 /nfs/dbraw/zinc/52/24/60/572522460.db2.gz NHGGBGQOYUVRLM-SNVBAGLBSA-N 0 0 181.235 1.244 10 0 ADAERN CCc1cc(CC[C@H](C)O)n(CC)n1 84266495 572522488 /nfs/dbraw/zinc/52/24/88/572522488.db2.gz WXFPHXKOUQQBKJ-VIFPVBQESA-N 0 0 196.294 1.779 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 250653713 572522513 /nfs/dbraw/zinc/52/25/13/572522513.db2.gz XJNBUNBIUPKNOV-XHNCKOQMSA-N 0 0 183.251 1.191 10 0 ADAERN CC[C@H](N)c1nc2c(C)cnnc2o1 74269813 572522525 /nfs/dbraw/zinc/52/25/25/572522525.db2.gz MLQKFBKHEJXVHS-LURJTMIESA-N 0 0 192.222 1.336 10 0 ADAERN CC[C@@H]([NH3+])c1ccoc1C(=O)OC 238284814 572522538 /nfs/dbraw/zinc/52/25/38/572522538.db2.gz BIBLWWDGCBYGDK-SSDOTTSWSA-N 0 0 183.207 1.476 10 0 ADAERN O=Cc1nccn1-c1ccc(F)cc1 74275203 572522545 /nfs/dbraw/zinc/52/25/45/572522545.db2.gz LWHNNYHQQRVRGK-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN CC(C)(C)c1nc2c(N)ncnc2o1 74269761 572522602 /nfs/dbraw/zinc/52/26/02/572522602.db2.gz XEDQFHAJJSLWKX-UHFFFAOYSA-N 0 0 192.222 1.498 10 0 ADAERN CCCOC[C@](O)(COC)C1CC1 87498063 572526548 /nfs/dbraw/zinc/52/65/48/572526548.db2.gz BWOMBJYLUGTALS-SNVBAGLBSA-N 0 0 188.267 1.201 10 0 ADAERN CC1(C)C(=O)N(c2ccccc2)C1=O 45260409 572522638 /nfs/dbraw/zinc/52/26/38/572522638.db2.gz OYPOSEBKNBKPSA-UHFFFAOYSA-N 0 0 189.214 1.586 10 0 ADAERN CC(C)c1cc(-c2oncc2N)n[nH]1 74269863 572522639 /nfs/dbraw/zinc/52/26/39/572522639.db2.gz PVPFROCPONAQET-UHFFFAOYSA-N 0 0 192.222 1.770 10 0 ADAERN Cc1cc(C[C@@H](C)C[C@H](C)O)n(C)n1 84269444 572522662 /nfs/dbraw/zinc/52/26/62/572522662.db2.gz RBDSZBFWDIMCQC-WPRPVWTQSA-N 0 0 196.294 1.678 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 250653707 572522667 /nfs/dbraw/zinc/52/26/67/572522667.db2.gz XJNBUNBIUPKNOV-CIUDSAMLSA-N 0 0 183.251 1.191 10 0 ADAERN CC[C@@H](C)[C@@H](O)Cc1cc(C)nn1C 84262464 572522673 /nfs/dbraw/zinc/52/26/73/572522673.db2.gz JPDPCEQXCMINLV-KCJUWKMLSA-N 0 0 196.294 1.678 10 0 ADAERN CCn1nc(C)cc1CCC[C@H](C)O 84269312 572522699 /nfs/dbraw/zinc/52/26/99/572522699.db2.gz HNYHUECCASUSDI-JTQLQIEISA-N 0 0 196.294 1.915 10 0 ADAERN Cc1n[nH]cc1-c1oc(CN)nc1C 74269802 572522738 /nfs/dbraw/zinc/52/27/38/572522738.db2.gz JLOMDOBMBSJZST-UHFFFAOYSA-N 0 0 192.222 1.140 10 0 ADAERN CCC[C@@H](O)Cc1cc(CC)nn1C 84262623 572522756 /nfs/dbraw/zinc/52/27/56/572522756.db2.gz DPTDWHQVCLZMPF-LLVKDONJSA-N 0 0 196.294 1.686 10 0 ADAERN CCn1nc(C)cc1CCCCO 84269300 572522764 /nfs/dbraw/zinc/52/27/64/572522764.db2.gz OOCBZIHGXQEEDH-UHFFFAOYSA-N 0 0 182.267 1.526 10 0 ADAERN CC[C@H](O)Cc1cc(C)nn1CC 84262757 572522777 /nfs/dbraw/zinc/52/27/77/572522777.db2.gz QKWJNQQRCNKIPW-JTQLQIEISA-N 0 0 182.267 1.525 10 0 ADAERN CC[C@H](O)c1ccc(C)nc1 62949570 572522782 /nfs/dbraw/zinc/52/27/82/572522782.db2.gz JYIMDKQHWAVXQD-VIFPVBQESA-N 0 0 151.209 1.833 10 0 ADAERN CC[C@@H]1C(=O)N[C@H]1[C@@H](C)OC(C)(C)C 238288200 572522789 /nfs/dbraw/zinc/52/27/89/572522789.db2.gz JSKUFRLNKIARQS-VGMNWLOBSA-N 0 0 199.294 1.715 10 0 ADAERN O=c1[nH]c2cccc(O)c2s1 45238027 572522790 /nfs/dbraw/zinc/52/27/90/572522790.db2.gz VVRHFGFHNQGAPP-UHFFFAOYSA-N 0 0 167.189 1.295 10 0 ADAERN Cc1cc(CC[C@@H](O)C(C)C)n(C)n1 84266589 572522817 /nfs/dbraw/zinc/52/28/17/572522817.db2.gz WHCJXBQKPSPWRY-LLVKDONJSA-N 0 0 196.294 1.678 10 0 ADAERN CCc1cc(CCC[C@@H](C)O)n(C)n1 84269306 572522859 /nfs/dbraw/zinc/52/28/59/572522859.db2.gz JLORROADWSLLBX-SECBINFHSA-N 0 0 196.294 1.686 10 0 ADAERN Cc1cc(CCC[C@@H](C)O)n(C)n1 84269303 572522944 /nfs/dbraw/zinc/52/29/44/572522944.db2.gz TZRHWHHUVVXIMA-SECBINFHSA-N 0 0 182.267 1.432 10 0 ADAERN Cc1nc2ccccc2n1N(C)N=O 45238622 572522972 /nfs/dbraw/zinc/52/29/72/572522972.db2.gz YCGMJKBYVFTRMV-UHFFFAOYSA-N 0 0 190.206 1.594 10 0 ADAERN O=Cc1sc(C=O)c2cnccc12 45235656 572522998 /nfs/dbraw/zinc/52/29/98/572522998.db2.gz IZGIFGYYYQDHIP-UHFFFAOYSA-N 0 0 191.211 1.921 10 0 ADAERN CCn1c(CO)nc2cc(C)ccc21 45238615 572523019 /nfs/dbraw/zinc/52/30/19/572523019.db2.gz BUTWAZAMHPLMJX-UHFFFAOYSA-N 0 0 190.246 1.857 10 0 ADAERN CC[C@@H](O)CCc1cc(C)nn1CC 84266578 572523025 /nfs/dbraw/zinc/52/30/25/572523025.db2.gz FTNMZFDGMNBNSY-LLVKDONJSA-N 0 0 196.294 1.915 10 0 ADAERN CCc1cc(CCCCO)n(CC)n1 84269302 572523035 /nfs/dbraw/zinc/52/30/35/572523035.db2.gz GOOITOSYLURSMP-UHFFFAOYSA-N 0 0 196.294 1.780 10 0 ADAERN CCn1nc(C)cc1C[C@H](O)C(C)C 84262348 572523042 /nfs/dbraw/zinc/52/30/42/572523042.db2.gz AQGVEIVSRCEZAH-NSHDSACASA-N 0 0 196.294 1.771 10 0 ADAERN Cc1ccn(-c2cc(C=O)c(C)o2)n1 74275167 572523050 /nfs/dbraw/zinc/52/30/50/572523050.db2.gz HWSHQWGVBCBOBB-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN CCn1nc(C)cc1CC[C@@H](C)O 84266500 572523073 /nfs/dbraw/zinc/52/30/73/572523073.db2.gz IQWINJHKMJWGKH-SECBINFHSA-N 0 0 182.267 1.525 10 0 ADAERN Nc1cnoc1-c1cnn2ccoc12 74275244 572523087 /nfs/dbraw/zinc/52/30/87/572523087.db2.gz OWNOJCKNSDRFOV-UHFFFAOYSA-N 0 0 190.162 1.165 10 0 ADAERN CCc1cc(C[C@H](O)C(C)C)n(C)n1 84262337 572523099 /nfs/dbraw/zinc/52/30/99/572523099.db2.gz ORKBXYYBJHZGQQ-NSHDSACASA-N 0 0 196.294 1.542 10 0 ADAERN CC[C@@H](Cc1cc(C)nn1C)[C@@H](C)O 84266516 572523133 /nfs/dbraw/zinc/52/31/33/572523133.db2.gz YZSLSTBJODGQOF-ZJUUUORDSA-N 0 0 196.294 1.678 10 0 ADAERN Nc1ncc(-c2ccccc2F)nn1 74275189 572523134 /nfs/dbraw/zinc/52/31/34/572523134.db2.gz XLWTWKVVNVXFCD-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN CSCC(=O)Cc1cc(C)nn1C 84263832 572523152 /nfs/dbraw/zinc/52/31/52/572523152.db2.gz UZCDSZAEZGTHLV-UHFFFAOYSA-N 0 0 198.291 1.203 10 0 ADAERN C[C@@H](c1cc[nH]n1)[C@@H](N)c1ncco1 74269713 572523159 /nfs/dbraw/zinc/52/31/59/572523159.db2.gz BISCUVAPQOEKQF-POYBYMJQSA-N 0 0 192.222 1.201 10 0 ADAERN Cc1c(N)cc(F)c2nc[nH]c12 45238553 572523174 /nfs/dbraw/zinc/52/31/74/572523174.db2.gz NNPJCSBRHALTNE-UHFFFAOYSA-N 0 0 165.171 1.593 10 0 ADAERN Cc1nc(Cc2n[nH]cc2N)oc1C 74269885 572523175 /nfs/dbraw/zinc/52/31/75/572523175.db2.gz VQKOYTXEGZZPCS-UHFFFAOYSA-N 0 0 192.222 1.188 10 0 ADAERN C[N@@H+]1CC[C@@H](c2ccco2)[C@H]1C(=O)[O-] 250658037 572523176 /nfs/dbraw/zinc/52/31/76/572523176.db2.gz YEUXOEMXXDIFAO-CBAPKCEASA-N 0 0 195.218 1.152 10 0 ADAERN Cc1cc(C[C@H](C)C[C@@H](C)O)n(C)n1 84269443 572523180 /nfs/dbraw/zinc/52/31/80/572523180.db2.gz RBDSZBFWDIMCQC-PSASIEDQSA-N 0 0 196.294 1.678 10 0 ADAERN C=C/C=C/[C@@H](CC)OC(N)=O 238287175 572523188 /nfs/dbraw/zinc/52/31/88/572523188.db2.gz YEUQVUAMAFKYFX-WEWAHIQMSA-N 0 0 155.197 1.603 10 0 ADAERN CC[C@H](O)CCCc1cc(C)nn1C 84269383 572523205 /nfs/dbraw/zinc/52/32/05/572523205.db2.gz BXPGNZPYVYBYHB-NSHDSACASA-N 0 0 196.294 1.822 10 0 ADAERN CC[C@H](O)[C@H](C)Cc1cc(C)nn1C 84266721 572523214 /nfs/dbraw/zinc/52/32/14/572523214.db2.gz FNBDKTVCPAHQKL-KCJUWKMLSA-N 0 0 196.294 1.678 10 0 ADAERN Cc1cc2[nH]c(=O)[nH]c2c(C)c1O 45238588 572523599 /nfs/dbraw/zinc/52/35/99/572523599.db2.gz FKIPZKCIWMBUHL-UHFFFAOYSA-N 0 0 178.191 1.179 10 0 ADAERN CO/C=C\C[C@H](O)C(C)C 307787379 572523240 /nfs/dbraw/zinc/52/32/40/572523240.db2.gz GREMQSHGDDGWSI-HORMHSFOSA-N 0 0 144.214 1.554 10 0 ADAERN Cc1cn([C@@H]2CCCOC2)c(N)[nH+]1 235957647 572523243 /nfs/dbraw/zinc/52/32/43/572523243.db2.gz KKZIJWYURQZYNE-MRVPVSSYSA-N 0 0 181.239 1.125 10 0 ADAERN Cc1cn([C@@H]2CCSC2)c(N)[nH+]1 235957880 572523280 /nfs/dbraw/zinc/52/32/80/572523280.db2.gz YGUAMSDISQNRMR-SSDOTTSWSA-N 0 0 183.280 1.452 10 0 ADAERN CC(=O)C[C@@H](C)Cc1cc(C)nn1C 84268790 572523340 /nfs/dbraw/zinc/52/33/40/572523340.db2.gz REMGVDZCBHSBFF-MRVPVSSYSA-N 0 0 194.278 1.886 10 0 ADAERN CCc1cc(CC(C)=O)n(CC)n1 84263692 572523374 /nfs/dbraw/zinc/52/33/74/572523374.db2.gz FGIDLSLNCUKMNY-UHFFFAOYSA-N 0 0 180.251 1.597 10 0 ADAERN CC[C@@H](O)CCc1cc(C)nn1C 84266574 572523398 /nfs/dbraw/zinc/52/33/98/572523398.db2.gz FUFFXUVZJVPEJA-SNVBAGLBSA-N 0 0 182.267 1.432 10 0 ADAERN CCc1nc(=NN)c2ccsc2[nH]1 45235357 572523409 /nfs/dbraw/zinc/52/34/09/572523409.db2.gz CCGAKZIGKXHOCZ-UHFFFAOYSA-N 0 0 194.263 1.539 10 0 ADAERN CC(C)Nn1cnc2ccccc21 45238625 572523418 /nfs/dbraw/zinc/52/34/18/572523418.db2.gz MWTWWAQOEWTYLA-UHFFFAOYSA-N 0 0 175.235 1.988 10 0 ADAERN COC1CC(Nc2ccc(C)nn2)C1 234761013 572523448 /nfs/dbraw/zinc/52/34/48/572523448.db2.gz IISCPEYITWXZKA-UHFFFAOYSA-N 0 0 193.250 1.374 10 0 ADAERN C[N@H+]1C[C@H](C(=O)[O-])[C@@H](C2CCC2)C1 250659890 572523455 /nfs/dbraw/zinc/52/34/55/572523455.db2.gz YMPLOFWPCSXJAN-BDAKNGLRSA-N 0 0 183.251 1.049 10 0 ADAERN C[N@@H+]1CCC[C@]2(CC1)C[C@H]2CC(=O)[O-] 250667041 572523463 /nfs/dbraw/zinc/52/34/63/572523463.db2.gz ZYBQKEXULMTXLH-KOLCDFICSA-N 0 0 197.278 1.583 10 0 ADAERN CC(=O)N1C[C@H](C)c2cc(C=O)[nH]c21 74270342 572523612 /nfs/dbraw/zinc/52/36/12/572523612.db2.gz WZFSYPBDQLUHFK-LURJTMIESA-N 0 0 192.218 1.297 10 0 ADAERN CC[C@H](C)[C@@H](O)Cc1cc(C)nn1C 84262467 572523480 /nfs/dbraw/zinc/52/34/80/572523480.db2.gz JPDPCEQXCMINLV-KWQFWETISA-N 0 0 196.294 1.678 10 0 ADAERN CC[C@H](N)c1nc(-c2cc[nH]c2)no1 74269943 572523515 /nfs/dbraw/zinc/52/35/15/572523515.db2.gz NBARVCKLJXHPET-ZETCQYMHSA-N 0 0 192.222 1.475 10 0 ADAERN Cc1cc(CC[C@@H](C)CO)n(C)n1 84269425 572523562 /nfs/dbraw/zinc/52/35/62/572523562.db2.gz PWCISBYJWJKPAH-MRVPVSSYSA-N 0 0 182.267 1.290 10 0 ADAERN CCc1cc(CCCCO)n(C)n1 84269298 572523539 /nfs/dbraw/zinc/52/35/39/572523539.db2.gz QXJVGGCUKWLTNM-UHFFFAOYSA-N 0 0 182.267 1.298 10 0 ADAERN CC[C@H](Cc1cc(C)nn1C)[C@@H](C)O 84266518 572523545 /nfs/dbraw/zinc/52/35/45/572523545.db2.gz YZSLSTBJODGQOF-NXEZZACHSA-N 0 0 196.294 1.678 10 0 ADAERN CCn1c(=O)[nH]c2cc(F)c(F)cc21 45238516 572523551 /nfs/dbraw/zinc/52/35/51/572523551.db2.gz CKIPJJAAYTUYCT-UHFFFAOYSA-N 0 0 198.172 1.628 10 0 ADAERN C/C=C/[C@H](O)[C@@H](CC)OCC 238287026 572523556 /nfs/dbraw/zinc/52/35/56/572523556.db2.gz NNDYUIXJMBRWMP-UFVYQPJESA-N 0 0 158.241 1.739 10 0 ADAERN Cc1cc(CC[C@H](O)C2CC2)n(C)n1 84266699 572523566 /nfs/dbraw/zinc/52/35/66/572523566.db2.gz AIHVZZUQQAEUSL-NSHDSACASA-N 0 0 194.278 1.432 10 0 ADAERN Cc1cc2ncn(C#N)c2cc1C 45238599 572523575 /nfs/dbraw/zinc/52/35/75/572523575.db2.gz QZWWQEANXLAWDD-UHFFFAOYSA-N 0 0 171.203 1.982 10 0 ADAERN C[N@@H+]1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@H]2C1 250667132 572523738 /nfs/dbraw/zinc/52/37/38/572523738.db2.gz ZYRJEEJZNRMQGT-GUBZILKMSA-N 0 0 197.278 1.439 10 0 ADAERN Cc1cn([C@H]2CCCOC2)c(N)[nH+]1 235958141 572523715 /nfs/dbraw/zinc/52/37/15/572523715.db2.gz KKZIJWYURQZYNE-QMMMGPOBSA-N 0 0 181.239 1.125 10 0 ADAERN C[N@@H+]1CCC[C@@]2(CC1)C[C@H]2CC(=O)[O-] 250667045 572523717 /nfs/dbraw/zinc/52/37/17/572523717.db2.gz ZYBQKEXULMTXLH-MWLCHTKSSA-N 0 0 197.278 1.583 10 0 ADAERN O=Cc1nonc1-c1ccccc1O 74275326 572523741 /nfs/dbraw/zinc/52/37/41/572523741.db2.gz UBFLRPHMUPLBKS-UHFFFAOYSA-N 0 0 190.158 1.255 10 0 ADAERN Nc1ncc(-c2cccc(F)c2)nn1 74275192 572523780 /nfs/dbraw/zinc/52/37/80/572523780.db2.gz HWONTRMMHGBPDS-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN CCOC(=O)/C(=C/C(C)C)[C@@H](C)O 238286962 572523823 /nfs/dbraw/zinc/52/38/23/572523823.db2.gz VGLNXCPJJLVQBQ-GTUWVTDSSA-N 0 0 186.251 1.513 10 0 ADAERN Cc1noc(C)c1Cc1n[nH]cc1N 74269889 572523837 /nfs/dbraw/zinc/52/38/37/572523837.db2.gz QFGOBNVBIHGYRW-UHFFFAOYSA-N 0 0 192.222 1.188 10 0 ADAERN CO[C@@H](c1noc(C(C)=O)n1)C1CC1 158832112 572523858 /nfs/dbraw/zinc/52/38/58/572523858.db2.gz TUZNPLGWPJCQHE-SSDOTTSWSA-N 0 0 196.206 1.370 10 0 ADAERN CC[C@@H]([NH3+])c1ncccc1C(=O)OC 238287424 572523859 /nfs/dbraw/zinc/52/38/59/572523859.db2.gz SIHOUBTYYHZYPJ-MRVPVSSYSA-N 0 0 194.234 1.278 10 0 ADAERN COc1nn(C)cc1-c1cc(N)c[nH]1 74270021 572523885 /nfs/dbraw/zinc/52/38/85/572523885.db2.gz ZUQYSZYMDQRDDK-UHFFFAOYSA-N 0 0 192.222 1.006 10 0 ADAERN O=Cc1ccn(-c2ccccc2F)n1 74275205 572523893 /nfs/dbraw/zinc/52/38/93/572523893.db2.gz UTGRNSNQLFILHZ-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN COc1cc(C)cc2nc(CN)oc12 74270306 572523940 /nfs/dbraw/zinc/52/39/40/572523940.db2.gz BYQAXYPOKGZBLC-UHFFFAOYSA-N 0 0 192.218 1.604 10 0 ADAERN CCOC(=O)c1occ(CC)c1N 238287450 572523948 /nfs/dbraw/zinc/52/39/48/572523948.db2.gz OCUXHCJCJSKQJH-UHFFFAOYSA-N 0 0 183.207 1.601 10 0 ADAERN CCOC(=O)c1oc(CC)cc1N 238287194 572523954 /nfs/dbraw/zinc/52/39/54/572523954.db2.gz CFTMZKTZHBIPFB-UHFFFAOYSA-N 0 0 183.207 1.601 10 0 ADAERN C[N@@H+]1CC[C@H](c2ccco2)[C@H]1C(=O)[O-] 250658032 572524011 /nfs/dbraw/zinc/52/40/11/572524011.db2.gz YEUXOEMXXDIFAO-APPZFPTMSA-N 0 0 195.218 1.152 10 0 ADAERN CC[C@@](C)(C(N)=O)C(=O)c1ccco1 238286953 572524149 /nfs/dbraw/zinc/52/41/49/572524149.db2.gz KWXILDVGMMCCLE-SNVBAGLBSA-N 0 0 195.218 1.364 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]1C[NH2+]CC1CC1 84307766 572524210 /nfs/dbraw/zinc/52/42/10/572524210.db2.gz WUXMGQJVJWBLTA-UWVGGRQHSA-N 0 0 197.278 1.487 10 0 ADAERN C[N@@H+]1C[C@@H](C2CCC2)[C@@H](C(=O)[O-])C1 250659894 572524276 /nfs/dbraw/zinc/52/42/76/572524276.db2.gz YMPLOFWPCSXJAN-IUCAKERBSA-N 0 0 183.251 1.049 10 0 ADAERN C[C@@H]([NH3+])c1ccc(OC2CC2)cn1 713275969 572524226 /nfs/dbraw/zinc/52/42/26/572524226.db2.gz JOBMKVXYECDJMK-SSDOTTSWSA-N 0 0 178.235 1.643 10 0 ADAERN CC/C=C(/C(=O)OCC)[C@H](C)O 238287541 572524243 /nfs/dbraw/zinc/52/42/43/572524243.db2.gz NPWJEVPSRKGVIS-DGUDBNDOSA-N 0 0 172.224 1.267 10 0 ADAERN CCOC(=O)/C(=C/C(C)C)[C@H](C)O 238286980 572524260 /nfs/dbraw/zinc/52/42/60/572524260.db2.gz VGLNXCPJJLVQBQ-CYXIBPNKSA-N 0 0 186.251 1.513 10 0 ADAERN Cc1cn(Cc2ccsc2)c(N)[nH+]1 235956374 572524302 /nfs/dbraw/zinc/52/43/02/572524302.db2.gz DPNVUMYDAHWJAV-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])C[C@H]1c1ccco1 250659528 572524315 /nfs/dbraw/zinc/52/43/15/572524315.db2.gz YMHPSHUPUQLILC-SFYZADRCSA-N 0 0 195.218 1.357 10 0 ADAERN CC[C@H](C)O[C@@](C)(OC)C(C)=O 238287265 572524344 /nfs/dbraw/zinc/52/43/44/572524344.db2.gz WWPNYICSDAYCHV-IONNQARKSA-N 0 0 174.240 1.753 10 0 ADAERN CC(C)CNC(=N)c1cnccn1 62994991 572524320 /nfs/dbraw/zinc/52/43/20/572524320.db2.gz MFXBAYZUJLNYEH-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN CC[NH2+]C[C@@H]1CCCC[C@@H]1C(=O)[O-] 84306553 572524340 /nfs/dbraw/zinc/52/43/40/572524340.db2.gz RMTDSMCZKGWABJ-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1[nH]c2cnccc2c1C(=O)CN 74276227 572524465 /nfs/dbraw/zinc/52/44/65/572524465.db2.gz IGEGAHZXHKPTLM-UHFFFAOYSA-N 0 0 189.218 1.013 10 0 ADAERN CC/C=C(/C(=O)OCC)[C@@H](C)O 238287521 572524466 /nfs/dbraw/zinc/52/44/66/572524466.db2.gz NPWJEVPSRKGVIS-UQBZRGDZSA-N 0 0 172.224 1.267 10 0 ADAERN CC(C)c1nc2cccc(C=O)n2n1 74276112 572524483 /nfs/dbraw/zinc/52/44/83/572524483.db2.gz LLBCLMXNFZCLDD-UHFFFAOYSA-N 0 0 189.218 1.665 10 0 ADAERN C[N@@H+]1CC[C@H]1[C@H](CC(=O)[O-])C1CC1 250665204 572524497 /nfs/dbraw/zinc/52/44/97/572524497.db2.gz ZOJOJPXCLAWUAJ-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN CCCCc1nnc2n1CCN[C@H]2C 53710397 572524502 /nfs/dbraw/zinc/52/45/02/572524502.db2.gz AKIOLWTYLIUMCL-QMMMGPOBSA-N 0 0 194.282 1.285 10 0 ADAERN C/C=C/[C@H](O)/C(=C\C)C(=O)OCC 238287413 572524607 /nfs/dbraw/zinc/52/46/07/572524607.db2.gz ZUTFGGJZLJTUNS-KHLWMFKJSA-N 0 0 184.235 1.433 10 0 ADAERN Cc1c(-c2ccc(C=O)[nH]2)cnn1C 74276383 572524640 /nfs/dbraw/zinc/52/46/40/572524640.db2.gz AGAVJBFEYOHXFN-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN CO/C=C\C[C@@H](O)C(C)C 307787380 572524705 /nfs/dbraw/zinc/52/47/05/572524705.db2.gz GREMQSHGDDGWSI-RZAAKKIOSA-N 0 0 144.214 1.554 10 0 ADAERN N[C@@H](Cc1ccccn1)c1ncco1 74276310 572524728 /nfs/dbraw/zinc/52/47/28/572524728.db2.gz JPHPTQCKBWNKHZ-VIFPVBQESA-N 0 0 189.218 1.312 10 0 ADAERN C[N@@H+]1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@@H]2C1 250667135 572524746 /nfs/dbraw/zinc/52/47/46/572524746.db2.gz ZYRJEEJZNRMQGT-IVZWLZJFSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)[NH2+]C[C@H]1CCCC[C@@H]1C(=O)[O-] 84306776 572524750 /nfs/dbraw/zinc/52/47/50/572524750.db2.gz CRVKPKSMTZTONT-ZJUUUORDSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1ncc([C@H](CC2CC2)NN)s1 235955747 572524780 /nfs/dbraw/zinc/52/47/80/572524780.db2.gz XOCJYWDKNPUFPD-QMMMGPOBSA-N 0 0 197.307 1.756 10 0 ADAERN C[N@@H+]1CC[C@@H]1[C@H](CC(=O)[O-])C1CC1 250665205 572524782 /nfs/dbraw/zinc/52/47/82/572524782.db2.gz ZOJOJPXCLAWUAJ-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN CC[NH2+]C[C@H]1CCCC[C@H]1C(=O)[O-] 84306565 572524784 /nfs/dbraw/zinc/52/47/84/572524784.db2.gz RMTDSMCZKGWABJ-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN Nc1cnoc1-c1c[nH]c2c1CCC2 74276221 572524791 /nfs/dbraw/zinc/52/47/91/572524791.db2.gz ZQWKREWETGUAEU-UHFFFAOYSA-N 0 0 189.218 1.741 10 0 ADAERN C[NH+](C)[C@@H](/C=C/CO)c1ccccc1 238287466 572524792 /nfs/dbraw/zinc/52/47/92/572524792.db2.gz KGRQRWHLQAFHGE-LZGFCCKTSA-N 0 0 191.274 1.838 10 0 ADAERN Cc1nc(C)c(-c2ccc(N)nc2)o1 74276368 572524833 /nfs/dbraw/zinc/52/48/33/572524833.db2.gz NOXUVJWAJLDSTM-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Nc1cnoc1CCc1ccncc1 74276256 572524838 /nfs/dbraw/zinc/52/48/38/572524838.db2.gz KCFOWBSZAIHEQO-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]1c1ccco1 250659530 572524842 /nfs/dbraw/zinc/52/48/42/572524842.db2.gz YMHPSHUPUQLILC-YUMQZZPRSA-N 0 0 195.218 1.357 10 0 ADAERN CCCCc1nnc2n1CCN[C@@H]2C 53710394 572524860 /nfs/dbraw/zinc/52/48/60/572524860.db2.gz AKIOLWTYLIUMCL-MRVPVSSYSA-N 0 0 194.282 1.285 10 0 ADAERN Cc1ccncc1[C@@H](N)c1ncco1 74276206 572524870 /nfs/dbraw/zinc/52/48/70/572524870.db2.gz IZFFWZKPUDYMSN-SECBINFHSA-N 0 0 189.218 1.426 10 0 ADAERN CCOCC(=O)Cc1csc(C)n1 84273489 572524883 /nfs/dbraw/zinc/52/48/83/572524883.db2.gz HYSCNFMNNJSGRF-UHFFFAOYSA-N 0 0 199.275 1.600 10 0 ADAERN Cc1nc(-c2ccc(N)nc2)oc1C 74276370 572524906 /nfs/dbraw/zinc/52/49/06/572524906.db2.gz BQFAVPWFWVTXPG-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN O[C@H]1CCCN2c3ccccc3C[C@@H]12 74275717 572524931 /nfs/dbraw/zinc/52/49/31/572524931.db2.gz CBJZHEDSYJPUKX-RYUDHWBXSA-N 0 0 189.258 1.572 10 0 ADAERN Cc1c(-c2cc[nH]c2C=O)cnn1C 74276324 572525951 /nfs/dbraw/zinc/52/59/51/572525951.db2.gz MKUCOOBKPVSIHU-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN COCC(=O)Cc1csc(C)n1 84273292 572524974 /nfs/dbraw/zinc/52/49/74/572524974.db2.gz GYNGXTKBEHRHTQ-UHFFFAOYSA-N 0 0 185.248 1.210 10 0 ADAERN CCO[C@@H](/C=C/CCO)CC 238287122 572524991 /nfs/dbraw/zinc/52/49/91/572524991.db2.gz RJAMMZQLWXUUJR-VPIOIWJLSA-N 0 0 158.241 1.740 10 0 ADAERN CC(C)[NH2+]C[C@H]1CCC[C@@H]1C(=O)[O-] 84307572 572524998 /nfs/dbraw/zinc/52/49/98/572524998.db2.gz XXGAFSQFLJTHCD-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)[NH2+]C[C@@H]1CCC[C@@H]1C(=O)[O-] 84307565 572525008 /nfs/dbraw/zinc/52/50/08/572525008.db2.gz XXGAFSQFLJTHCD-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN C[N@@H+]1CC[C@@H]([C@@H](C(=O)[O-])C2CC2)C1 250665244 572525015 /nfs/dbraw/zinc/52/50/15/572525015.db2.gz ZPENMOLRRPHUAS-BDAKNGLRSA-N 0 0 183.251 1.049 10 0 ADAERN CO[C@@H]1CCC[C@]2(CC(=O)CCO2)C1 234761340 572525019 /nfs/dbraw/zinc/52/50/19/572525019.db2.gz YWUCLYOFCQJQPC-MNOVXSKESA-N 0 0 198.262 1.694 10 0 ADAERN CC[C@@H](C)[C@](O)(COC)C1CC1 87497809 572525030 /nfs/dbraw/zinc/52/50/30/572525030.db2.gz GORYUHRZXWGKPO-PSASIEDQSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1nc(-c2cnncc2N)c(C)[nH]1 74275859 572525033 /nfs/dbraw/zinc/52/50/33/572525033.db2.gz MYRFDTPPWVLVEJ-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN O=C1[C@H]2C[C@H]2CC[C@H]1F 250653165 572525044 /nfs/dbraw/zinc/52/50/44/572525044.db2.gz MUZQMYGZHDIIAR-NGJCXOISSA-N 0 0 128.146 1.324 10 0 ADAERN Cc1occ2c1-c1ncn(N)c1CC2 74276276 572525048 /nfs/dbraw/zinc/52/50/48/572525048.db2.gz JLOPZYBCBVCJMX-UHFFFAOYSA-N 0 0 189.218 1.264 10 0 ADAERN CCOC[C@@H](O)OC(C)(C)C 238287283 572525092 /nfs/dbraw/zinc/52/50/92/572525092.db2.gz REDFBHDYRVXECS-ZETCQYMHSA-N 0 0 162.229 1.156 10 0 ADAERN CCC(=O)Cc1ncccc1C 63023055 572525118 /nfs/dbraw/zinc/52/51/18/572525118.db2.gz IVTAVXPSDAASLV-UHFFFAOYSA-N 0 0 163.220 1.912 10 0 ADAERN C[C@H]([NH3+])c1ccc(OC2CC2)cn1 713275974 572525184 /nfs/dbraw/zinc/52/51/84/572525184.db2.gz JOBMKVXYECDJMK-ZETCQYMHSA-N 0 0 178.235 1.643 10 0 ADAERN COC[C@](O)(c1ccsc1)C1CC1 87497421 572525228 /nfs/dbraw/zinc/52/52/28/572525228.db2.gz JKCFDMQBSAGGSO-SNVBAGLBSA-N 0 0 198.287 1.992 10 0 ADAERN COC[C@@](O)(COC(C)C)C1CC1 87497890 572525271 /nfs/dbraw/zinc/52/52/71/572525271.db2.gz ALHRRMLMZQWGLM-SNVBAGLBSA-N 0 0 188.267 1.199 10 0 ADAERN CC[NH2+]C[C@H]1CCC[C@@H]1C(=O)[O-] 84307257 572525305 /nfs/dbraw/zinc/52/53/05/572525305.db2.gz BKUSSRLWXZYRGY-SFYZADRCSA-N 0 0 171.240 1.097 10 0 ADAERN Cc1cc(N)nc(-c2c[nH]nc2C)n1 74275903 572525310 /nfs/dbraw/zinc/52/53/10/572525310.db2.gz GLRLNNBKKZISFE-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN Cc1nc(C)c(-c2cccnc2N)o1 74276068 572525348 /nfs/dbraw/zinc/52/53/48/572525348.db2.gz PCNHBXNGVAEOKQ-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN OC1CN([C@H]2CCc3ccccc32)C1 74275701 572525351 /nfs/dbraw/zinc/52/53/51/572525351.db2.gz HDAPELXEPYJEKF-LBPRGKRZSA-N 0 0 189.258 1.350 10 0 ADAERN Cc1nc(C)c(-c2ccnc(N)c2)o1 74276070 572525358 /nfs/dbraw/zinc/52/53/58/572525358.db2.gz VQPLBTRWKTVDMF-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN COC[C@](O)(c1ccco1)C1CC1 87497614 572526293 /nfs/dbraw/zinc/52/62/93/572526293.db2.gz ZJLHRVVPHUBDPA-SNVBAGLBSA-N 0 0 182.219 1.524 10 0 ADAERN CC[C@H](C)c1nnc2n1CCN[C@H]2C 53710232 572525363 /nfs/dbraw/zinc/52/53/63/572525363.db2.gz JVBSBKYXJSAIDP-YUMQZZPRSA-N 0 0 194.282 1.456 10 0 ADAERN Nc1ncc(-c2cc3c([nH]2)CCC3)o1 74276234 572525393 /nfs/dbraw/zinc/52/53/93/572525393.db2.gz DFUUGLMCNQPIMI-UHFFFAOYSA-N 0 0 189.218 1.741 10 0 ADAERN CC(C)CNC(=N)c1ccco1 62994954 572525421 /nfs/dbraw/zinc/52/54/21/572525421.db2.gz LWWIBUHDRWPYDX-UHFFFAOYSA-N 0 0 166.224 1.851 10 0 ADAERN Cc1nccn1-c1ccc(O)c(N)c1 74276251 572525434 /nfs/dbraw/zinc/52/54/34/572525434.db2.gz LMSTWDNWPMUONJ-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN Cc1cc(N)nc(Cc2ccco2)n1 74276245 572525441 /nfs/dbraw/zinc/52/54/41/572525441.db2.gz DEYPCXHSAXJBKM-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN CCC[NH2+]C[C@H]1CCC[C@H]1C(=O)[O-] 84307435 572525442 /nfs/dbraw/zinc/52/54/42/572525442.db2.gz GPPHIGDNAYKZHQ-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN COC[C@@](O)(c1ccccc1)C1CC1 87497542 572525447 /nfs/dbraw/zinc/52/54/47/572525447.db2.gz DPFFVJLEVOUGPW-GFCCVEGCSA-N 0 0 192.258 1.931 10 0 ADAERN Cc1c(N)n[nH]c1-c1cc[nH]c1 250848658 572525452 /nfs/dbraw/zinc/52/54/52/572525452.db2.gz KSFCPYYBFMEFGS-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN CCC[C@@](O)(COC)C1CC1 87497534 572525455 /nfs/dbraw/zinc/52/54/55/572525455.db2.gz ARYMEMOOXMGUFA-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN OCC[C@@H]1CC[C@H]2CCCC[C@]12CO 250865076 572525484 /nfs/dbraw/zinc/52/54/84/572525484.db2.gz REAQHDNQOFFAAA-GRYCIOLGSA-N 0 0 198.306 1.948 10 0 ADAERN C=C=C(C(=O)OCC)[C@H](O)C(C)C 238287206 572525519 /nfs/dbraw/zinc/52/55/19/572525519.db2.gz JBPLBTRLVSSJGJ-SECBINFHSA-N 0 0 184.235 1.278 10 0 ADAERN COC[C@@](O)(c1ccsc1)C1CC1 87497417 572525541 /nfs/dbraw/zinc/52/55/41/572525541.db2.gz JKCFDMQBSAGGSO-JTQLQIEISA-N 0 0 198.287 1.992 10 0 ADAERN C=C/C=C/CC[C@H](O)[C@@H](O)C(C)C 713721635 572525563 /nfs/dbraw/zinc/52/55/63/572525563.db2.gz ROUFWCJFDYJMBR-PZIAFJOJSA-N 0 0 184.279 1.887 10 0 ADAERN COC[C@@](O)(c1ccco1)C1CC1 87497612 572525577 /nfs/dbraw/zinc/52/55/77/572525577.db2.gz ZJLHRVVPHUBDPA-JTQLQIEISA-N 0 0 182.219 1.524 10 0 ADAERN CC[NH2+]C[C@H]1CCC[C@H]1C(=O)[O-] 84307264 572525590 /nfs/dbraw/zinc/52/55/90/572525590.db2.gz BKUSSRLWXZYRGY-HTQZYQBOSA-N 0 0 171.240 1.097 10 0 ADAERN Cc1ncc(N)c(-c2c[nH]nc2C)n1 74275895 572525597 /nfs/dbraw/zinc/52/55/97/572525597.db2.gz LMHBXJJROOBFGE-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN Nc1ncc(CCOC2CC2)s1 713276012 572525628 /nfs/dbraw/zinc/52/56/28/572525628.db2.gz JQUICRWEPFZPIE-UHFFFAOYSA-N 0 0 184.264 1.447 10 0 ADAERN OC1CN([C@@H]2CCc3ccccc32)C1 74275703 572525629 /nfs/dbraw/zinc/52/56/29/572525629.db2.gz HDAPELXEPYJEKF-GFCCVEGCSA-N 0 0 189.258 1.350 10 0 ADAERN COC[C@](O)(c1ccoc1)C1CC1 87497462 572525644 /nfs/dbraw/zinc/52/56/44/572525644.db2.gz SUAJLTAWFGIEBB-SNVBAGLBSA-N 0 0 182.219 1.524 10 0 ADAERN NCc1ncc(Cc2ccccn2)o1 74276141 572525661 /nfs/dbraw/zinc/52/56/61/572525661.db2.gz MXPNPGXTHWXCMD-UHFFFAOYSA-N 0 0 189.218 1.119 10 0 ADAERN CCC[NH2+]C[C@@H]1CCCC[C@H]1C(=O)[O-] 84306660 572525665 /nfs/dbraw/zinc/52/56/65/572525665.db2.gz HSWWACUTMMYPEE-VHSXEESVSA-N 0 0 199.294 1.877 10 0 ADAERN N=C(c1ccco1)N1CCCC1 62995345 572525681 /nfs/dbraw/zinc/52/56/81/572525681.db2.gz POSKDIHWRCULFT-UHFFFAOYSA-N 0 0 164.208 1.701 10 0 ADAERN CC[NH2+]C[C@@H]1CCC[C@@H]1C(=O)[O-] 84307254 572525697 /nfs/dbraw/zinc/52/56/97/572525697.db2.gz BKUSSRLWXZYRGY-YUMQZZPRSA-N 0 0 171.240 1.097 10 0 ADAERN CCOC(=O)c1ocnc1CCOC 238287551 572525717 /nfs/dbraw/zinc/52/57/17/572525717.db2.gz ZEHNTTGJDSPMCQ-UHFFFAOYSA-N 0 0 199.206 1.040 10 0 ADAERN CC(=O)N1CCc2c(C=O)cccc21 74276406 572525731 /nfs/dbraw/zinc/52/57/31/572525731.db2.gz OLONNQQZDLLDRN-UHFFFAOYSA-N 0 0 189.214 1.408 10 0 ADAERN C=C=C(C(=O)OCC)[C@@H](O)C1CC1 238287152 572525750 /nfs/dbraw/zinc/52/57/50/572525750.db2.gz MTHSNXIRRZESGC-VIFPVBQESA-N 0 0 182.219 1.032 10 0 ADAERN O=C([O-])C[C@@H]1C[C@H]2CCCC[N@@H+]2C1 250870703 572525903 /nfs/dbraw/zinc/52/59/03/572525903.db2.gz SJESVJXVJMNDJC-DTWKUNHWSA-N 0 0 183.251 1.336 10 0 ADAERN COC[C@@](O)(C1CC1)C(F)(F)F 87497669 572525907 /nfs/dbraw/zinc/52/59/07/572525907.db2.gz HIZNLWUVCQEBQK-ZCFIWIBFSA-N 0 0 184.157 1.336 10 0 ADAERN COC[C@@H](O)Cc1csc(C)n1 84273504 572525918 /nfs/dbraw/zinc/52/59/18/572525918.db2.gz FPEOYRHWXRFMLB-QMMMGPOBSA-N 0 0 187.264 1.001 10 0 ADAERN O=C([O-])C[C@H]1C[C@H]2CCCC[N@@H+]2C1 250870705 572525942 /nfs/dbraw/zinc/52/59/42/572525942.db2.gz SJESVJXVJMNDJC-RKDXNWHRSA-N 0 0 183.251 1.336 10 0 ADAERN CC[NH2+]C[C@@H]1CCCC[C@H]1C(=O)[O-] 84306560 572525993 /nfs/dbraw/zinc/52/59/93/572525993.db2.gz RMTDSMCZKGWABJ-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1ncc(-c2n[nH]cc2N)c(C)n1 74275905 572525996 /nfs/dbraw/zinc/52/59/96/572525996.db2.gz MURANFZPAUMYNP-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN Nc1ccccc1[C@@H](O)COC1CC1 713275738 572526026 /nfs/dbraw/zinc/52/60/26/572526026.db2.gz FYVDXYSUCQOLCI-NSHDSACASA-N 0 0 193.246 1.481 10 0 ADAERN CC[NH2+]C[C@H]1CCCC[C@@H]1C(=O)[O-] 84306557 572526031 /nfs/dbraw/zinc/52/60/31/572526031.db2.gz RMTDSMCZKGWABJ-BDAKNGLRSA-N 0 0 185.267 1.487 10 0 ADAERN CCC(=O)Cc1ccc(C)cn1 63023066 572526054 /nfs/dbraw/zinc/52/60/54/572526054.db2.gz ZCTGVOSUTPSCJH-UHFFFAOYSA-N 0 0 163.220 1.912 10 0 ADAERN CCc1onc(-c2ccccn2)c1N 74276119 572526059 /nfs/dbraw/zinc/52/60/59/572526059.db2.gz IMLOPKNIPWJJKT-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CC(=O)C[C@@H](C)OC[C@H]1CCCO1 84290884 572526084 /nfs/dbraw/zinc/52/60/84/572526084.db2.gz OOLNTXWMYFMNGP-NXEZZACHSA-N 0 0 186.251 1.550 10 0 ADAERN Cc1ccn(-c2cc(N)ccc2O)n1 74276388 572526086 /nfs/dbraw/zinc/52/60/86/572526086.db2.gz XJAFRUWEXOSODU-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN Cc1n[nH]c(C)c1-n1cc(N)nc1C 74272305 572526129 /nfs/dbraw/zinc/52/61/29/572526129.db2.gz ZIEDLOTYRFODLZ-UHFFFAOYSA-N 0 0 191.238 1.103 10 0 ADAERN Cc1nc(N)cc(Cc2ccco2)n1 74276075 572526141 /nfs/dbraw/zinc/52/61/41/572526141.db2.gz NAGBQUDEGXVNOQ-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN CC[NH2+]C[C@@H]1CCC[C@H]1C(=O)[O-] 84307261 572526165 /nfs/dbraw/zinc/52/61/65/572526165.db2.gz BKUSSRLWXZYRGY-JGVFFNPUSA-N 0 0 171.240 1.097 10 0 ADAERN Cc1nc(-c2cccc(N)n2)oc1C 74276365 572526168 /nfs/dbraw/zinc/52/61/68/572526168.db2.gz UKBFQGAUSUFWPK-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1nn(C)cc1-c1cc[nH]c1C=O 74276326 572526205 /nfs/dbraw/zinc/52/62/05/572526205.db2.gz KZRINRZFNFZSSH-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN CCC[NH2+]C[C@@H]1CCC[C@@H]1C(=O)[O-] 84307428 572526236 /nfs/dbraw/zinc/52/62/36/572526236.db2.gz GPPHIGDNAYKZHQ-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN CC(C)[NH2+]C[C@@H]1CCCC[C@H]1C(=O)[O-] 84306778 572526237 /nfs/dbraw/zinc/52/62/37/572526237.db2.gz CRVKPKSMTZTONT-VHSXEESVSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)[NH2+]C[C@H]1CCCC[C@H]1C(=O)[O-] 84306781 572526291 /nfs/dbraw/zinc/52/62/91/572526291.db2.gz CRVKPKSMTZTONT-NXEZZACHSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@@H](C)[C@@](O)(COC)C1CC1 87497803 572526303 /nfs/dbraw/zinc/52/63/03/572526303.db2.gz GORYUHRZXWGKPO-SCZZXKLOSA-N 0 0 172.268 1.820 10 0 ADAERN Nc1cnoc1CCc1ccccn1 74276254 572526313 /nfs/dbraw/zinc/52/63/13/572526313.db2.gz HGBYYOSFVYGOSW-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN Cc1ncc(N)c(-c2ccoc2C)n1 74276217 572526345 /nfs/dbraw/zinc/52/63/45/572526345.db2.gz RYMMWMUKQGOTMK-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CCn1sc(Cl)c(C)c1=O 45283707 572526354 /nfs/dbraw/zinc/52/63/54/572526354.db2.gz PWQFDYMZDPXLEG-UHFFFAOYSA-N 0 0 177.656 1.892 10 0 ADAERN Nc1ccccc1[C@H](O)COC1CC1 713275737 572526357 /nfs/dbraw/zinc/52/63/57/572526357.db2.gz FYVDXYSUCQOLCI-LLVKDONJSA-N 0 0 193.246 1.481 10 0 ADAERN Cc1ncc(N)c(-c2coc(C)c2)n1 74276215 572526370 /nfs/dbraw/zinc/52/63/70/572526370.db2.gz URFHXCDSHJCUMP-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CCOCCO[C@@H](C)CC(C)=O 84290893 572526371 /nfs/dbraw/zinc/52/63/71/572526371.db2.gz GLHXRDSOBQPEQR-VIFPVBQESA-N 0 0 174.240 1.407 10 0 ADAERN Cn1ccc(-c2nn(C)cc2C=O)c1 74276120 572526378 /nfs/dbraw/zinc/52/63/78/572526378.db2.gz BQPUSMRNHIUCHW-UHFFFAOYSA-N 0 0 189.218 1.238 10 0 ADAERN Cc1cc(C)n(-c2cc(C=O)c[nH]2)n1 74276290 572526379 /nfs/dbraw/zinc/52/63/79/572526379.db2.gz NDZAJRGNJAIKLA-UHFFFAOYSA-N 0 0 189.218 1.630 10 0 ADAERN Cc1ccc(C[C@@H](O)C(C)C)nc1 63039377 572526395 /nfs/dbraw/zinc/52/63/95/572526395.db2.gz CUURWLUQXNYLCR-LLVKDONJSA-N 0 0 179.263 1.949 10 0 ADAERN CCC[NH2+]C[C@H]1CCCC[C@@H]1C(=O)[O-] 84306658 572526402 /nfs/dbraw/zinc/52/64/02/572526402.db2.gz HSWWACUTMMYPEE-ZJUUUORDSA-N 0 0 199.294 1.877 10 0 ADAERN [NH3+]C[C@@H](c1ccoc1)N1CCCCC1 63047594 572526406 /nfs/dbraw/zinc/52/64/06/572526406.db2.gz AUAWSFFLOPKBJH-NSHDSACASA-N 0 0 194.278 1.765 10 0 ADAERN Cc1cc(-c2nc(C)c(C=O)[nH]2)c[nH]1 74276331 572526430 /nfs/dbraw/zinc/52/64/30/572526430.db2.gz JAJZZYMSKNVSHE-UHFFFAOYSA-N 0 0 189.218 1.834 10 0 ADAERN Cc1cn(Cc2cccnc2)c(N)[nH+]1 235955933 572526440 /nfs/dbraw/zinc/52/64/40/572526440.db2.gz VCKBPSVJXLQXGT-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1n[nH]c(C)c1-c1ccc(C=O)[nH]1 74276384 572526451 /nfs/dbraw/zinc/52/64/51/572526451.db2.gz ARCLKELYRCGTPJ-UHFFFAOYSA-N 0 0 189.218 1.834 10 0 ADAERN Nc1c[nH]c(-c2ccc3n2CCO3)c1 74276357 572526454 /nfs/dbraw/zinc/52/64/54/572526454.db2.gz HLDABVNSZOCESW-UHFFFAOYSA-N 0 0 189.218 1.458 10 0 ADAERN CC(C)c1nc2cc(C=O)ccn2n1 74276110 572526458 /nfs/dbraw/zinc/52/64/58/572526458.db2.gz RPOQUGRIQBCJMZ-UHFFFAOYSA-N 0 0 189.218 1.665 10 0 ADAERN C=C/C=C\CC[C@H](O)[C@@H](O)C(C)C 713721633 572526469 /nfs/dbraw/zinc/52/64/69/572526469.db2.gz ROUFWCJFDYJMBR-OBOPVNRVSA-N 0 0 184.279 1.887 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]2CCCCC[C@H]12 250855449 572526476 /nfs/dbraw/zinc/52/64/76/572526476.db2.gz PEQIWTCOCRQMLJ-IWSPIJDZSA-N 0 0 183.251 1.239 10 0 ADAERN CC(C)c1cc(-c2n[nH]cc2N)n[nH]1 74272307 572526487 /nfs/dbraw/zinc/52/64/87/572526487.db2.gz PLBYNCBPOHJOEA-UHFFFAOYSA-N 0 0 191.238 1.505 10 0 ADAERN COC[C@](O)(COC(C)C)C1CC1 87497888 572526501 /nfs/dbraw/zinc/52/65/01/572526501.db2.gz ALHRRMLMZQWGLM-JTQLQIEISA-N 0 0 188.267 1.199 10 0 ADAERN CC[C@H](C)[C@](O)(COC)C1CC1 87497812 572526535 /nfs/dbraw/zinc/52/65/35/572526535.db2.gz GORYUHRZXWGKPO-WCBMZHEXSA-N 0 0 172.268 1.820 10 0 ADAERN CCCc1ccc2nc(C=O)cn2n1 74276361 572526536 /nfs/dbraw/zinc/52/65/36/572526536.db2.gz RAVAUPLXOPPBDO-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN CCC[NH2+]C[C@H]1CCC[C@@H]1C(=O)[O-] 84307432 572526539 /nfs/dbraw/zinc/52/65/39/572526539.db2.gz GPPHIGDNAYKZHQ-BDAKNGLRSA-N 0 0 185.267 1.487 10 0 ADAERN CN(C)c1ccc2c(C=O)n[nH]c2c1 74276123 572526540 /nfs/dbraw/zinc/52/65/40/572526540.db2.gz MCBCOSRRUJLEBM-UHFFFAOYSA-N 0 0 189.218 1.441 10 0 ADAERN Cc1nc(-c2ccc(C=O)[nH]2)c(C)[nH]1 74276191 572526604 /nfs/dbraw/zinc/52/66/04/572526604.db2.gz YVHKXEBYDXEHGO-UHFFFAOYSA-N 0 0 189.218 1.834 10 0 ADAERN CC[C@@H](ONC(N)=O)c1ccccc1 238289179 572526619 /nfs/dbraw/zinc/52/66/19/572526619.db2.gz GLZMQDZHWWLEFG-SECBINFHSA-N 0 0 194.234 1.738 10 0 ADAERN O[C@H]1CCCN2c3ccccc3C[C@H]12 74275718 572526624 /nfs/dbraw/zinc/52/66/24/572526624.db2.gz CBJZHEDSYJPUKX-NEPJUHHUSA-N 0 0 189.258 1.572 10 0 ADAERN COCC(=O)CCc1csc(C)n1 84271463 572526664 /nfs/dbraw/zinc/52/66/64/572526664.db2.gz RVWUQCUIIGCGQL-UHFFFAOYSA-N 0 0 199.275 1.600 10 0 ADAERN [NH3+]C[C@H](c1ccoc1)N1CCCC1 63047555 572526667 /nfs/dbraw/zinc/52/66/67/572526667.db2.gz SQKAHVPDKRKBEP-SNVBAGLBSA-N 0 0 180.251 1.375 10 0 ADAERN CCC[NH2+]C[C@H]1CCCC[C@H]1C(=O)[O-] 84306663 572526669 /nfs/dbraw/zinc/52/66/69/572526669.db2.gz HSWWACUTMMYPEE-NXEZZACHSA-N 0 0 199.294 1.877 10 0 ADAERN O[C@@H]1CC[C@@H]2CCOC[C@@H]2C1 250669359 572526679 /nfs/dbraw/zinc/52/66/79/572526679.db2.gz TVVKDILXWABONV-HRDYMLBCSA-N 0 0 156.225 1.184 10 0 ADAERN CC[C@@H](C)c1nnc2n1CCN[C@H]2C 53710229 572526680 /nfs/dbraw/zinc/52/66/80/572526680.db2.gz JVBSBKYXJSAIDP-SFYZADRCSA-N 0 0 194.282 1.456 10 0 ADAERN Cc1cn(Cc2ccncc2)c(N)[nH+]1 235956181 572526686 /nfs/dbraw/zinc/52/66/86/572526686.db2.gz DWKBSIDGGIBVCF-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1cccc(-c2noc(N)c2N)c1 74276116 572526691 /nfs/dbraw/zinc/52/66/91/572526691.db2.gz AHNCYQPNQDQLEZ-UHFFFAOYSA-N 0 0 189.218 1.814 10 0 ADAERN CC[C@@H](c1ccncc1)[C@@H](C)O 63038246 572526692 /nfs/dbraw/zinc/52/66/92/572526692.db2.gz ANIPAEIHMPCDSG-PSASIEDQSA-N 0 0 165.236 1.956 10 0 ADAERN CC[NH2+]Cc1cc(C(=O)[O-])oc1C 232422938 572526728 /nfs/dbraw/zinc/52/67/28/572526728.db2.gz WGPUDVYGLJZOPV-UHFFFAOYSA-N 0 0 183.207 1.396 10 0 ADAERN CC[C@@H](C)c1nnc2n1CCN[C@@H]2C 53710224 572526742 /nfs/dbraw/zinc/52/67/42/572526742.db2.gz JVBSBKYXJSAIDP-HTQZYQBOSA-N 0 0 194.282 1.456 10 0 ADAERN CC[NH2+]Cc1cc(C)c(C(=O)[O-])o1 232422936 572526807 /nfs/dbraw/zinc/52/68/07/572526807.db2.gz YZSMTZJGTGFNCI-UHFFFAOYSA-N 0 0 183.207 1.396 10 0 ADAERN Cc1nc(CN)oc1-c1ccncc1 74276092 572526812 /nfs/dbraw/zinc/52/68/12/572526812.db2.gz MYCVENSDUJJUBB-UHFFFAOYSA-N 0 0 189.218 1.504 10 0 ADAERN C/C(=C\c1ccoc1)[N+](=O)[O-] 63046848 572526819 /nfs/dbraw/zinc/52/68/19/572526819.db2.gz QBIBUTJSWOIVCP-GQCTYLIASA-N 0 0 153.137 1.917 10 0 ADAERN O[C@@H]1CCCN2c3ccccc3C[C@@H]12 250837323 572528212 /nfs/dbraw/zinc/52/82/12/572528212.db2.gz CBJZHEDSYJPUKX-NWDGAFQWSA-N 0 0 189.258 1.572 10 0 ADAERN CC[C@](C)(O)/C=C/[C@@H](O)C(C)C 238289136 572526889 /nfs/dbraw/zinc/52/68/89/572526889.db2.gz GXMFOARAWPJRJA-YJOJJWFDSA-N 0 0 172.268 1.721 10 0 ADAERN CC[C@H](C)c1nnc2n1CCN[C@@H]2C 53710227 572526901 /nfs/dbraw/zinc/52/69/01/572526901.db2.gz JVBSBKYXJSAIDP-JGVFFNPUSA-N 0 0 194.282 1.456 10 0 ADAERN CC[C@@H](c1ccncc1)[C@H](C)O 63038248 572526902 /nfs/dbraw/zinc/52/69/02/572526902.db2.gz ANIPAEIHMPCDSG-WCBMZHEXSA-N 0 0 165.236 1.956 10 0 ADAERN COC[C@@](O)(CC(C)C)C1CC1 87497427 572526928 /nfs/dbraw/zinc/52/69/28/572526928.db2.gz QOECKJKNRUDBLF-JTQLQIEISA-N 0 0 172.268 1.820 10 0 ADAERN O=C([O-])CC[C@H]1CC[N@@H+]2CCCC[C@H]12 250849690 572526938 /nfs/dbraw/zinc/52/69/38/572526938.db2.gz NYZYFSKDVAWSLJ-VHSXEESVSA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@H](O)Cc1ccc(C)cn1 63039122 572526940 /nfs/dbraw/zinc/52/69/40/572526940.db2.gz RIZMMEGCDOHEQV-JTQLQIEISA-N 0 0 165.236 1.703 10 0 ADAERN C[C@H](N)c1ncc(-c2ccncc2)o1 74276104 572526951 /nfs/dbraw/zinc/52/69/51/572526951.db2.gz XOOQRRPCMDDWJV-ZETCQYMHSA-N 0 0 189.218 1.756 10 0 ADAERN O=C([O-])CC[C@@H]1CC[N@@H+]2CCCC[C@H]12 250849688 572526959 /nfs/dbraw/zinc/52/69/59/572526959.db2.gz NYZYFSKDVAWSLJ-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN CCS[C@@H](OC(C)=O)C(C)=O 238289102 572526961 /nfs/dbraw/zinc/52/69/61/572526961.db2.gz RVJBGHHPWUQZOB-SSDOTTSWSA-N 0 0 176.237 1.218 10 0 ADAERN Cc1cc(O)c2c(=O)cc(O)cc-2[nH]1 45285312 572526976 /nfs/dbraw/zinc/52/69/76/572526976.db2.gz XJLYDZIBIOGSSR-UHFFFAOYSA-N 0 0 191.186 1.248 10 0 ADAERN COC[C@@](O)(c1ccoc1)C1CC1 87497459 572526982 /nfs/dbraw/zinc/52/69/82/572526982.db2.gz SUAJLTAWFGIEBB-JTQLQIEISA-N 0 0 182.219 1.524 10 0 ADAERN Cc1ccn(-c2ccc(O)c(N)c2)n1 74276386 572526986 /nfs/dbraw/zinc/52/69/86/572526986.db2.gz VKGJQRJABPVORY-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN OCC[C@@H]1CC[C@@H]2CCCC[C@@]12CO 250865079 572526991 /nfs/dbraw/zinc/52/69/91/572526991.db2.gz REAQHDNQOFFAAA-SRVKXCTJSA-N 0 0 198.306 1.948 10 0 ADAERN CCC[NH2+]C[C@@H]1CCCC[C@@H]1C(=O)[O-] 84306656 572527012 /nfs/dbraw/zinc/52/70/12/572527012.db2.gz HSWWACUTMMYPEE-UWVGGRQHSA-N 0 0 199.294 1.877 10 0 ADAERN C[C@@H]1C(=O)N(C)c2ccc(C=O)cc21 74276456 572527014 /nfs/dbraw/zinc/52/70/14/572527014.db2.gz FMAPKKKFOYYADG-ZETCQYMHSA-N 0 0 189.214 1.579 10 0 ADAERN Cc1cc(C)c(-c2cnnc(N)n2)[nH]1 74275921 572527029 /nfs/dbraw/zinc/52/70/29/572527029.db2.gz SKUIHWPTGGRMTB-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN Cc1ccn(-c2ccc(N)cc2O)n1 74276292 572527041 /nfs/dbraw/zinc/52/70/41/572527041.db2.gz BIGBDYWEABNUPU-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CN(C)c1cccc2[nH]nc(C=O)c12 74276125 572527045 /nfs/dbraw/zinc/52/70/45/572527045.db2.gz KRWWZLCXTHPABD-UHFFFAOYSA-N 0 0 189.218 1.441 10 0 ADAERN N[C@H](Cc1ccncc1)c1ncco1 74276322 572527048 /nfs/dbraw/zinc/52/70/48/572527048.db2.gz IVRBAPUIFNPTEJ-SECBINFHSA-N 0 0 189.218 1.312 10 0 ADAERN Cc1coc(-c2nn(C)cc2C=O)n1 74273567 572528325 /nfs/dbraw/zinc/52/83/25/572528325.db2.gz XDXHBTQDCZWMPX-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN N[C@@H](Cc1ccncc1)c1ncco1 74276320 572527054 /nfs/dbraw/zinc/52/70/54/572527054.db2.gz IVRBAPUIFNPTEJ-VIFPVBQESA-N 0 0 189.218 1.312 10 0 ADAERN CCC[C@H](O)Cc1nccs1 63038622 572527060 /nfs/dbraw/zinc/52/70/60/572527060.db2.gz IXNCWRLTWSULLR-ZETCQYMHSA-N 0 0 171.265 1.847 10 0 ADAERN NCc1ncc(Cc2ccncc2)o1 74276138 572527081 /nfs/dbraw/zinc/52/70/81/572527081.db2.gz ONSNSOONHKUYLB-UHFFFAOYSA-N 0 0 189.218 1.119 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]1C[NH2+]CC1CC1 84307762 572527101 /nfs/dbraw/zinc/52/71/01/572527101.db2.gz WUXMGQJVJWBLTA-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN Nc1onc(Cc2ccccc2)c1N 74276114 572527121 /nfs/dbraw/zinc/52/71/21/572527121.db2.gz MFUBRCPAEPMWHK-UHFFFAOYSA-N 0 0 189.218 1.430 10 0 ADAERN CCC(=O)COc1cccc(N)c1 40353093 572527131 /nfs/dbraw/zinc/52/71/31/572527131.db2.gz ZAYGAUWZTKGHIT-UHFFFAOYSA-N 0 0 179.219 1.627 10 0 ADAERN Cc1cnc(NCc2cn[nH]c2)nc1 63048665 572527138 /nfs/dbraw/zinc/52/71/38/572527138.db2.gz PPRYIOJQITYTGG-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN C[C@@H](O)Cc1nccs1 63037831 572527147 /nfs/dbraw/zinc/52/71/47/572527147.db2.gz VFODQGFBBIVVEE-RXMQYKEDSA-N 0 0 143.211 1.066 10 0 ADAERN C=C/C=C/CC[C@H](O)[C@H](O)C(C)C 713721634 572527155 /nfs/dbraw/zinc/52/71/55/572527155.db2.gz ROUFWCJFDYJMBR-PFDYWKIBSA-N 0 0 184.279 1.887 10 0 ADAERN C[C@@H](N)c1ncc(-c2ccncc2)o1 74276106 572527177 /nfs/dbraw/zinc/52/71/77/572527177.db2.gz XOOQRRPCMDDWJV-SSDOTTSWSA-N 0 0 189.218 1.756 10 0 ADAERN Cc1cccnc1C[C@@H](O)C(C)C 63039355 572527181 /nfs/dbraw/zinc/52/71/81/572527181.db2.gz JLIYSGBAANILFC-LLVKDONJSA-N 0 0 179.263 1.949 10 0 ADAERN Cc1ccnn1-c1ccc(O)c(N)c1 74276287 572527188 /nfs/dbraw/zinc/52/71/88/572527188.db2.gz OZPAOTCBQOIEKH-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN COC[C@](O)(c1ccccc1)C1CC1 87497544 572527212 /nfs/dbraw/zinc/52/72/12/572527212.db2.gz DPFFVJLEVOUGPW-LBPRGKRZSA-N 0 0 192.258 1.931 10 0 ADAERN CCOCCO[C@H](C)CC(C)=O 84290902 572527217 /nfs/dbraw/zinc/52/72/17/572527217.db2.gz GLHXRDSOBQPEQR-SECBINFHSA-N 0 0 174.240 1.407 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]2CCCC[C@H]21 250866436 572527229 /nfs/dbraw/zinc/52/72/29/572527229.db2.gz RLPVPYVIDWONQA-IWSPIJDZSA-N 0 0 183.251 1.097 10 0 ADAERN CC[NH2+]C/C=C(/CC)C(=O)[O-] 232422942 572527259 /nfs/dbraw/zinc/52/72/59/572527259.db2.gz QTAMJNFMWZLGEE-ALCCZGGFSA-N 0 0 157.213 1.017 10 0 ADAERN Cc1cc2ccoc2cc1C(=O)CN 74276392 572527282 /nfs/dbraw/zinc/52/72/82/572527282.db2.gz AQAZVKOJEOCCKC-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN Cc1cn(Cc2ccccn2)c(N)[nH+]1 235955895 572527299 /nfs/dbraw/zinc/52/72/99/572527299.db2.gz PEHXQOGJTVUUEG-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN COC[C@](O)(CC(C)C)C1CC1 87497424 572527335 /nfs/dbraw/zinc/52/73/35/572527335.db2.gz QOECKJKNRUDBLF-SNVBAGLBSA-N 0 0 172.268 1.820 10 0 ADAERN COC[C@](O)(C1CC1)C(F)(F)F 87497672 572527360 /nfs/dbraw/zinc/52/73/60/572527360.db2.gz HIZNLWUVCQEBQK-LURJTMIESA-N 0 0 184.157 1.336 10 0 ADAERN Cc1ccnn1-c1cc(N)ccc1O 74276280 572527366 /nfs/dbraw/zinc/52/73/66/572527366.db2.gz CBFFXHZBMJBQMZ-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CC[NH2+]Cc1ccsc1C(=O)[O-] 232422940 572527372 /nfs/dbraw/zinc/52/73/72/572527372.db2.gz FMUSRWKHEGKFMM-UHFFFAOYSA-N 0 0 185.248 1.556 10 0 ADAERN Cc1nn(C)cc1-c1ccc(C=O)[nH]1 74276380 572527376 /nfs/dbraw/zinc/52/73/76/572527376.db2.gz LPMYNSAYUHKXDC-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN C[C@H](O)Cc1nccs1 63037830 572527391 /nfs/dbraw/zinc/52/73/91/572527391.db2.gz VFODQGFBBIVVEE-YFKPBYRVSA-N 0 0 143.211 1.066 10 0 ADAERN CC[C@@H](O)Cc1ccc(C)cn1 63039123 572527412 /nfs/dbraw/zinc/52/74/12/572527412.db2.gz RIZMMEGCDOHEQV-SNVBAGLBSA-N 0 0 165.236 1.703 10 0 ADAERN O[C@@H]1CCCN2c3ccccc3C[C@H]12 250837324 572527567 /nfs/dbraw/zinc/52/75/67/572527567.db2.gz CBJZHEDSYJPUKX-VXGBXAGGSA-N 0 0 189.258 1.572 10 0 ADAERN [NH3+]C[C@H](c1ccoc1)N1CCCCC1 63047593 572527420 /nfs/dbraw/zinc/52/74/20/572527420.db2.gz AUAWSFFLOPKBJH-LLVKDONJSA-N 0 0 194.278 1.765 10 0 ADAERN CC(C)c1nn(C)c(OC2CC2)c1N 713276411 572527425 /nfs/dbraw/zinc/52/74/25/572527425.db2.gz HYYHDIUPLFQGDU-UHFFFAOYSA-N 0 0 195.266 1.667 10 0 ADAERN CCC[C@](O)(COC)C1CC1 87497538 572527444 /nfs/dbraw/zinc/52/74/44/572527444.db2.gz ARYMEMOOXMGUFA-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC[C@H](c1ccncc1)[C@H](C)O 63038249 572527570 /nfs/dbraw/zinc/52/75/70/572527570.db2.gz ANIPAEIHMPCDSG-WPRPVWTQSA-N 0 0 165.236 1.956 10 0 ADAERN C=C/C=C\CC[C@H](O)[C@H](O)C(C)C 713721636 572527489 /nfs/dbraw/zinc/52/74/89/572527489.db2.gz ROUFWCJFDYJMBR-TUISVCKWSA-N 0 0 184.279 1.887 10 0 ADAERN Cc1c(C(=O)CN)oc2ccccc12 74276433 572527494 /nfs/dbraw/zinc/52/74/94/572527494.db2.gz SEQVDAQUBOFNQT-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN Cc1ccnn1-c1ccc(N)c(O)c1 74276281 572527543 /nfs/dbraw/zinc/52/75/43/572527543.db2.gz MFHPXYRXWDAGIP-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CO[C@@H]1CCC[C@]2(CC(=O)N[C@@H]2C)C1 234761809 572527546 /nfs/dbraw/zinc/52/75/46/572527546.db2.gz IIFDCLINTYIUNT-FXPVBKGRSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1nc(-c2ccc(N)cn2)oc1C 74276064 572527552 /nfs/dbraw/zinc/52/75/52/572527552.db2.gz ZGDKEZVWVVDAFR-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1nc(-c2c[nH]c(C=O)c2)c(C)[nH]1 74276188 572527562 /nfs/dbraw/zinc/52/75/62/572527562.db2.gz DJCQNRYPLOUOFB-UHFFFAOYSA-N 0 0 189.218 1.834 10 0 ADAERN O=Cc1cn2c3c([nH]c2n1)CCCC3 74276224 572527581 /nfs/dbraw/zinc/52/75/81/572527581.db2.gz UYUJSOBVZVVHHO-UHFFFAOYSA-N 0 0 189.218 1.354 10 0 ADAERN CCC[C@H](O)Cc1nccn1C 63038588 572527601 /nfs/dbraw/zinc/52/76/01/572527601.db2.gz RHZCBAFQWVVIMW-QMMMGPOBSA-N 0 0 168.240 1.124 10 0 ADAERN Cc1nc(-c2ncccc2N)oc1C 74276066 572527617 /nfs/dbraw/zinc/52/76/17/572527617.db2.gz QTAWYFYCIDGULO-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC[C@](C)(O)/C=C/[C@H](O)C(C)C 238289180 572527641 /nfs/dbraw/zinc/52/76/41/572527641.db2.gz GXMFOARAWPJRJA-CAFLDADYSA-N 0 0 172.268 1.721 10 0 ADAERN CCC[C@@H](O)Cc1nccs1 63038623 572527661 /nfs/dbraw/zinc/52/76/61/572527661.db2.gz IXNCWRLTWSULLR-SSDOTTSWSA-N 0 0 171.265 1.847 10 0 ADAERN Cc1ncc(N)c(-c2c[nH]c(C)n2)n1 74275899 572527664 /nfs/dbraw/zinc/52/76/64/572527664.db2.gz XCIAKZXVHRPWCO-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN Cc1cccnc1C[C@H](O)C(C)C 63039354 572527674 /nfs/dbraw/zinc/52/76/74/572527674.db2.gz JLIYSGBAANILFC-NSHDSACASA-N 0 0 179.263 1.949 10 0 ADAERN CC[C@H](c1ccncc1)[C@@H](C)O 63038247 572527692 /nfs/dbraw/zinc/52/76/92/572527692.db2.gz ANIPAEIHMPCDSG-SCZZXKLOSA-N 0 0 165.236 1.956 10 0 ADAERN Cc1ccc(C[C@H](O)C(C)C)nc1 63039376 572527699 /nfs/dbraw/zinc/52/76/99/572527699.db2.gz CUURWLUQXNYLCR-NSHDSACASA-N 0 0 179.263 1.949 10 0 ADAERN Cc1ccncc1[C@H](N)c1ncco1 74276204 572527705 /nfs/dbraw/zinc/52/77/05/572527705.db2.gz IZFFWZKPUDYMSN-VIFPVBQESA-N 0 0 189.218 1.426 10 0 ADAERN N[C@H](Cc1ccccn1)c1ncco1 74276312 572527733 /nfs/dbraw/zinc/52/77/33/572527733.db2.gz JPHPTQCKBWNKHZ-SECBINFHSA-N 0 0 189.218 1.312 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]CC1CC1 84307758 572527789 /nfs/dbraw/zinc/52/77/89/572527789.db2.gz WUXMGQJVJWBLTA-NXEZZACHSA-N 0 0 197.278 1.487 10 0 ADAERN COC[C@H](O)Cc1csc(C)n1 84273505 572527797 /nfs/dbraw/zinc/52/77/97/572527797.db2.gz FPEOYRHWXRFMLB-MRVPVSSYSA-N 0 0 187.264 1.001 10 0 ADAERN [NH3+]C[C@@H](c1ccoc1)N1CCCC1 63047556 572527808 /nfs/dbraw/zinc/52/78/08/572527808.db2.gz SQKAHVPDKRKBEP-JTQLQIEISA-N 0 0 180.251 1.375 10 0 ADAERN Cc1cc(Cc2c[nH]cc2C=O)n[nH]1 74276272 572527834 /nfs/dbraw/zinc/52/78/34/572527834.db2.gz XIWPLZASQPZVMA-UHFFFAOYSA-N 0 0 189.218 1.450 10 0 ADAERN O[C@@H]1CCN2c3ccccc3C[C@H]12 250865380 572527840 /nfs/dbraw/zinc/52/78/40/572527840.db2.gz VPIPSGIWBMDCCB-GHMZBOCLSA-N 0 0 175.231 1.182 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@H]2CCCCC[C@@H]21 250855447 572527843 /nfs/dbraw/zinc/52/78/43/572527843.db2.gz PEQIWTCOCRQMLJ-HLTSFMKQSA-N 0 0 183.251 1.239 10 0 ADAERN NCC(=O)c1c[nH]c(-c2cc[nH]c2)c1 74276027 572527846 /nfs/dbraw/zinc/52/78/46/572527846.db2.gz IASIPHNJXCUOTL-UHFFFAOYSA-N 0 0 189.218 1.151 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]2CCCC[C@@H]12 250866431 572527879 /nfs/dbraw/zinc/52/78/79/572527879.db2.gz RLPVPYVIDWONQA-DJLDLDEBSA-N 0 0 183.251 1.097 10 0 ADAERN COC[C@](O)(C1CCCC1)C1CC1 87497823 572527885 /nfs/dbraw/zinc/52/78/85/572527885.db2.gz SMUMLMTVTILYIP-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN COC[C@@](O)(C1CCCC1)C1CC1 87497819 572527911 /nfs/dbraw/zinc/52/79/11/572527911.db2.gz SMUMLMTVTILYIP-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)c1ccc2nc(C=O)cn2n1 74276362 572527931 /nfs/dbraw/zinc/52/79/31/572527931.db2.gz XDMPWVWXUKHGOT-UHFFFAOYSA-N 0 0 189.218 1.665 10 0 ADAERN Nc1cc(-c2cc3c([nH]2)CCC3)on1 74276233 572527981 /nfs/dbraw/zinc/52/79/81/572527981.db2.gz BDOFWHLEBYIMJW-UHFFFAOYSA-N 0 0 189.218 1.741 10 0 ADAERN Cc1ccc(-c2oncc2N)c(C)n1 74276222 572527993 /nfs/dbraw/zinc/52/79/93/572527993.db2.gz BHCRKGMADCZHHV-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@H]2CCCCC[C@H]21 250855452 572528093 /nfs/dbraw/zinc/52/80/93/572528093.db2.gz PEQIWTCOCRQMLJ-YIZRAAEISA-N 0 0 183.251 1.239 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]2CCCC[C@@H]21 250866433 572528099 /nfs/dbraw/zinc/52/80/99/572528099.db2.gz RLPVPYVIDWONQA-HRDYMLBCSA-N 0 0 183.251 1.097 10 0 ADAERN C=C/C=C/CCOC[C@@H](O)OCC 238291341 572528120 /nfs/dbraw/zinc/52/81/20/572528120.db2.gz VLAQCAKSNMKIDS-PORFMDCZSA-N 0 0 186.251 1.490 10 0 ADAERN CO[P@@](C)(=O)CC=O 307788300 572528125 /nfs/dbraw/zinc/52/81/25/572528125.db2.gz QOGPFOQBCUPVSV-TUUFMJSCSA-N 0 0 136.087 1.570 10 0 ADAERN CC(C)C(=O)NC[C@@H]1CCC[C@@H]1CO 84313295 572528161 /nfs/dbraw/zinc/52/81/61/572528161.db2.gz SKDPMFBEXVLULC-VHSXEESVSA-N 0 0 199.294 1.167 10 0 ADAERN C[C@H]1CCCN1c1ncccc1C[NH3+] 37909588 572528178 /nfs/dbraw/zinc/52/81/78/572528178.db2.gz OSORIHWCIQJLHZ-VIFPVBQESA-N 0 0 191.278 1.529 10 0 ADAERN Cc1noc(NC[C@H](C)C2CC2)n1 235124338 572528206 /nfs/dbraw/zinc/52/82/06/572528206.db2.gz AALYXIQRMQORGZ-LURJTMIESA-N 0 0 181.239 1.836 10 0 ADAERN CC(C)[NH2+]C[C@@H]1CCC[C@H]1C(=O)[O-] 84307574 572528216 /nfs/dbraw/zinc/52/82/16/572528216.db2.gz XXGAFSQFLJTHCD-DTWKUNHWSA-N 0 0 185.267 1.485 10 0 ADAERN Nc1onc(-c2ccc(O)cc2)c1N 74273357 572528260 /nfs/dbraw/zinc/52/82/60/572528260.db2.gz TUYXPECMQILCME-UHFFFAOYSA-N 0 0 191.190 1.212 10 0 ADAERN Cc1ccn(-c2ccc(F)c(N)c2)n1 74273054 572528296 /nfs/dbraw/zinc/52/82/96/572528296.db2.gz GOZSECZSEDQLOX-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN COc1cc(OC2CC2)c(F)cc1N 713277198 572528297 /nfs/dbraw/zinc/52/82/97/572528297.db2.gz QIAILFAAGRXFMI-UHFFFAOYSA-N 0 0 197.209 1.958 10 0 ADAERN CCOC(=O)C=C(NC)C(C)C 238292538 572528337 /nfs/dbraw/zinc/52/83/37/572528337.db2.gz KIBKMCWLPLJWCV-SOFGYWHQSA-N 0 0 171.240 1.309 10 0 ADAERN CC(=O)CC(C)(C)N(C)C(C)=O 238292432 572528350 /nfs/dbraw/zinc/52/83/50/572528350.db2.gz OICJFJZABPANRT-UHFFFAOYSA-N 0 0 171.240 1.222 10 0 ADAERN CCCC[NH2+]C[C@@H]1CCC[C@@H]1C(=O)[O-] 84307588 572528354 /nfs/dbraw/zinc/52/83/54/572528354.db2.gz NDBMQUNYXOWYNH-UWVGGRQHSA-N 0 0 199.294 1.877 10 0 ADAERN COC[C@@](N)(C(C)C)C(F)(F)F 87499170 572530047 /nfs/dbraw/zinc/53/00/47/572530047.db2.gz LESJTZFRIZRRRB-ZCFIWIBFSA-N 0 0 185.189 1.549 10 0 ADAERN O[C@@H]1CCN2c3ccccc3C[C@@H]12 250865382 572528355 /nfs/dbraw/zinc/52/83/55/572528355.db2.gz VPIPSGIWBMDCCB-WDEREUQCSA-N 0 0 175.231 1.182 10 0 ADAERN Cc1nc(-c2ncoc2C)[nH]c1C=O 74273502 572528370 /nfs/dbraw/zinc/52/83/70/572528370.db2.gz PTINHOXQJWCXOE-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN OCC[C@@H]1CC[C@@H]2CCCC[C@]12CO 250865077 572528383 /nfs/dbraw/zinc/52/83/83/572528383.db2.gz REAQHDNQOFFAAA-SDDRHHMPSA-N 0 0 198.306 1.948 10 0 ADAERN Cc1[nH]nc(-c2cc(C=O)no2)c1C 74273553 572528387 /nfs/dbraw/zinc/52/83/87/572528387.db2.gz YAGJEJNQBCRJKF-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CO[P@](C)(=O)CC=O 307788307 572528442 /nfs/dbraw/zinc/52/84/42/572528442.db2.gz QOGPFOQBCUPVSV-VEMNSZJBSA-N 0 0 136.087 1.570 10 0 ADAERN CCCC(=O)NC[C@H]1CCC[C@H]1CO 84313697 572528445 /nfs/dbraw/zinc/52/84/45/572528445.db2.gz OOVZDSADILIPIC-ZJUUUORDSA-N 0 0 199.294 1.311 10 0 ADAERN O=Cc1cc(-c2ccncn2)ns1 74273014 572528447 /nfs/dbraw/zinc/52/84/47/572528447.db2.gz HFVPGOGEBFBMFV-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN Cc1c(N)n[nH]c1-c1ccc[nH]1 250858349 572528460 /nfs/dbraw/zinc/52/84/60/572528460.db2.gz SNFKTQVFIZANKZ-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN CC[C@@H](OCOC)[C@H](C)CO 238288939 572528538 /nfs/dbraw/zinc/52/85/38/572528538.db2.gz DHJMOQPMTZULCE-HTQZYQBOSA-N 0 0 162.229 1.014 10 0 ADAERN CCCC[NH2+]C[C@H]1CCC[C@@H]1C(=O)[O-] 84307592 572528624 /nfs/dbraw/zinc/52/86/24/572528624.db2.gz NDBMQUNYXOWYNH-ZJUUUORDSA-N 0 0 199.294 1.877 10 0 ADAERN CC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1C(=O)[O-] 84307618 572528627 /nfs/dbraw/zinc/52/86/27/572528627.db2.gz LAXNIPCHJNFDTM-AEJSXWLSSA-N 0 0 199.294 1.875 10 0 ADAERN O=Cc1cnc(-c2cncs2)cn1 74272982 572528643 /nfs/dbraw/zinc/52/86/43/572528643.db2.gz FBIALXHWMMKGPH-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN O[C@@H]1CC[C@@H]2CCOC[C@H]2C1 250669362 572528665 /nfs/dbraw/zinc/52/86/65/572528665.db2.gz TVVKDILXWABONV-IWSPIJDZSA-N 0 0 156.225 1.184 10 0 ADAERN CCC(=O)[C@@H](COC)C1CC1 87500698 572534115 /nfs/dbraw/zinc/53/41/15/572534115.db2.gz ACTVSVKIRJQQPE-QMMMGPOBSA-N 0 0 156.225 1.638 10 0 ADAERN Cc1cnoc1-c1nn(C)cc1C=O 74273377 572529009 /nfs/dbraw/zinc/52/90/09/572529009.db2.gz OMZNJGOFZBREHD-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN Cc1nc(-n2ccnc2C=O)oc1C 74273429 572528794 /nfs/dbraw/zinc/52/87/94/572528794.db2.gz VVBPRUKETCWQSI-UHFFFAOYSA-N 0 0 191.190 1.290 10 0 ADAERN Cc1noc(C)c1-c1cc(C=O)n[nH]1 74273545 572528824 /nfs/dbraw/zinc/52/88/24/572528824.db2.gz ITEGYJXMZZBWMF-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CCOC(=O)C(C)(C)C[C@@H](O)CC 238294331 572536780 /nfs/dbraw/zinc/53/67/80/572536780.db2.gz MWAREOVOUFRTOL-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN CCO[C@@H](c1ccccc1O)[C@H](C)O 238292378 572528877 /nfs/dbraw/zinc/52/88/77/572528877.db2.gz AQBABRRGDIIMOV-GZMMTYOYSA-N 0 0 196.246 1.851 10 0 ADAERN Cc1cn(C)nc1-c1oncc1C=O 74273563 572528889 /nfs/dbraw/zinc/52/88/89/572528889.db2.gz JJWRYNYTIZVHFN-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCCCO[C@@H]1C[C@H]1C(C)=O 205102166 572528909 /nfs/dbraw/zinc/52/89/09/572528909.db2.gz DGNOUNSEWVIRQW-DTWKUNHWSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1ccncc1-c1o[nH]c(=O)c1N 74273465 572528917 /nfs/dbraw/zinc/52/89/17/572528917.db2.gz SNXSTPYRMBKMLK-UHFFFAOYSA-N 0 0 191.190 1.333 10 0 ADAERN CCO[C@H]1CC[C@]1(CO)C(C)C 238295686 572538325 /nfs/dbraw/zinc/53/83/25/572538325.db2.gz VNGMEIHOKZWVKK-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@@](C)(CO)[C@H](O)CC(C)C 238291499 572528922 /nfs/dbraw/zinc/52/89/22/572528922.db2.gz BIPUUDQGXWOQDQ-ZJUUUORDSA-N 0 0 174.284 1.802 10 0 ADAERN CCO[C@@H](c1ccccc1O)[C@@H](C)O 238292241 572528926 /nfs/dbraw/zinc/52/89/26/572528926.db2.gz AQBABRRGDIIMOV-LDYMZIIASA-N 0 0 196.246 1.851 10 0 ADAERN Cc1nn(C)cc1-c1ocnc1C=O 74273408 572528928 /nfs/dbraw/zinc/52/89/28/572528928.db2.gz FZTHSBJCAUNSBV-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCO[C@H](O)c1ccc(N(C)C)cc1 238291757 572528935 /nfs/dbraw/zinc/52/89/35/572528935.db2.gz IRAHCFDQBNVDAG-NSHDSACASA-N 0 0 195.262 1.780 10 0 ADAERN Nc1c[nH]nc1Cc1ccc(F)cc1 74273042 572528936 /nfs/dbraw/zinc/52/89/36/572528936.db2.gz WFFUKHSNNNWDHT-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN C[C@H]1CCCN1C(=O)c1cc(N)c[nH]1 37909652 572528939 /nfs/dbraw/zinc/52/89/39/572528939.db2.gz AIYNHOFPELNBOH-ZETCQYMHSA-N 0 0 193.250 1.221 10 0 ADAERN Cc1ncoc1-c1nn(C)cc1C=O 74273570 572528943 /nfs/dbraw/zinc/52/89/43/572528943.db2.gz HFSJVYVTILTSDN-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN Cc1cc(-c2cnc(C=O)n2C)no1 74273443 572528957 /nfs/dbraw/zinc/52/89/57/572528957.db2.gz WTGKWXZILDYDBW-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H](C[NH3+])C(C)C 238292559 572528966 /nfs/dbraw/zinc/52/89/66/572528966.db2.gz HCYIXNYQSGYKIC-YUMQZZPRSA-N 0 0 173.256 1.328 10 0 ADAERN COC[C@@](N)(C1CC1)C(F)(F)F 87499174 572528967 /nfs/dbraw/zinc/52/89/67/572528967.db2.gz YYBJUMQHAFTWJB-ZCFIWIBFSA-N 0 0 183.173 1.303 10 0 ADAERN Cc1onc(-c2n[nH]cc2C=O)c1C 74273370 572528997 /nfs/dbraw/zinc/52/89/97/572528997.db2.gz XXMKBEQATXMLDB-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CCO[C@H](O)CCc1ccccc1 238291326 572529002 /nfs/dbraw/zinc/52/90/02/572529002.db2.gz ONUVWOZBKCVZBB-NSHDSACASA-N 0 0 180.247 1.974 10 0 ADAERN CCOC(=O)/C=C1/CCC=C1CCO 238292713 572529030 /nfs/dbraw/zinc/52/90/30/572529030.db2.gz QJJXVTBQOUVJEE-NTMALXAHSA-N 0 0 196.246 1.579 10 0 ADAERN CCOC[C@H](O)CC1(O)CCCC1 238292101 572529045 /nfs/dbraw/zinc/52/90/45/572529045.db2.gz WABBEAHVSFECGR-SECBINFHSA-N 0 0 188.267 1.079 10 0 ADAERN Cc1n[nH]c(C)c1-c1cc(C=O)no1 74273558 572529046 /nfs/dbraw/zinc/52/90/46/572529046.db2.gz UQXUWAUBNFHWBE-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CCCC[NH2+]C[C@H]1CCC[C@H]1C(=O)[O-] 84307596 572529953 /nfs/dbraw/zinc/52/99/53/572529953.db2.gz NDBMQUNYXOWYNH-NXEZZACHSA-N 0 0 199.294 1.877 10 0 ADAERN C/C=C/C(=O)NC[C@@H]1CCC[C@@H]1CO 84313328 572529065 /nfs/dbraw/zinc/52/90/65/572529065.db2.gz UXUUSJJVUITZQE-VBWGBGESSA-N 0 0 197.278 1.087 10 0 ADAERN Cc1ccnn1-c1cc(N)ccc1F 74273051 572529086 /nfs/dbraw/zinc/52/90/86/572529086.db2.gz LTOLSSGLPMZFCB-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CC(=O)c1nc(N)cc(CC2CC2)n1 74272658 572529096 /nfs/dbraw/zinc/52/90/96/572529096.db2.gz USVYILZRXDDENM-UHFFFAOYSA-N 0 0 191.234 1.214 10 0 ADAERN Cc1cnc(-c2cnc(C=O)n2C)o1 74273437 572529102 /nfs/dbraw/zinc/52/91/02/572529102.db2.gz SZEQMYBIFKDWQZ-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN Cc1nc(-c2ocnc2C)[nH]c1C=O 74273500 572529109 /nfs/dbraw/zinc/52/91/09/572529109.db2.gz HGNZXLWEARJFIL-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN Nc1c[nH]nc1Cc1ccccc1F 74273041 572529115 /nfs/dbraw/zinc/52/91/15/572529115.db2.gz FJIPHVSMGSEXHA-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN Cc1cc(-c2ncc(C=O)o2)nn1C 74273424 572529122 /nfs/dbraw/zinc/52/91/22/572529122.db2.gz LLXFVMUIOFRLCC-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCOC(=O)OCc1ccc(C=O)o1 238292348 572529152 /nfs/dbraw/zinc/52/91/52/572529152.db2.gz LXTOIYFOKWPEFE-UHFFFAOYSA-N 0 0 198.174 1.765 10 0 ADAERN CC(C)(C)[C@@H](N)C(=O)OC1CC1 713277007 572529154 /nfs/dbraw/zinc/52/91/54/572529154.db2.gz OWRRLWIHAKMANI-ZETCQYMHSA-N 0 0 171.240 1.065 10 0 ADAERN O=Cc1cnc(-c2cscn2)cn1 74272979 572529245 /nfs/dbraw/zinc/52/92/45/572529245.db2.gz CCLFYVIKUIXHBU-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN CCO[C@H](O)c1ccc(OC)cc1 238291782 572529259 /nfs/dbraw/zinc/52/92/59/572529259.db2.gz DOSWIGRFDKVCIG-JTQLQIEISA-N 0 0 182.219 1.723 10 0 ADAERN CC(C)C[NH2+]C[C@H]1CCC[C@H]1C(=O)[O-] 84307643 572529263 /nfs/dbraw/zinc/52/92/63/572529263.db2.gz BWQQAAYHUQSHJI-NXEZZACHSA-N 0 0 199.294 1.733 10 0 ADAERN CCOC(=O)C(=O)c1cc(C)[nH]c1C 238292239 572529265 /nfs/dbraw/zinc/52/92/65/572529265.db2.gz GMQSCTRALRKXCK-UHFFFAOYSA-N 0 0 195.218 1.377 10 0 ADAERN C[NH+](C)CC(C)(C)CCC(=O)[O-] 238292066 572529278 /nfs/dbraw/zinc/52/92/78/572529278.db2.gz JTKIFNJZTKPDAO-UHFFFAOYSA-N 0 0 173.256 1.439 10 0 ADAERN Cc1cn(C)nc1-c1cc(C=O)no1 74273548 572529286 /nfs/dbraw/zinc/52/92/86/572529286.db2.gz YOLRFIOVKWZAOL-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN C/C=C/C(=O)NC[C@@H]1CCC[C@H]1CO 84313332 572529289 /nfs/dbraw/zinc/52/92/89/572529289.db2.gz UXUUSJJVUITZQE-BMRYVVEKSA-N 0 0 197.278 1.087 10 0 ADAERN Cc1c(N)oc2nc(C3CC3)n(C)c12 74272695 572529324 /nfs/dbraw/zinc/52/93/24/572529324.db2.gz UVGDROVBDKUZCV-UHFFFAOYSA-N 0 0 191.234 1.934 10 0 ADAERN Cc1nn(C)cc1-c1oncc1C=O 74273561 572529353 /nfs/dbraw/zinc/52/93/53/572529353.db2.gz UYOMGNRMIPRSFC-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCO[C@H](OC)[C@@H](O)c1ccccc1 238291919 572529363 /nfs/dbraw/zinc/52/93/63/572529363.db2.gz BIAQAHHCKGIREB-QWRGUYRKSA-N 0 0 196.246 1.729 10 0 ADAERN CCS[C@H](OC(C)=O)C(C)=O 238291371 572529376 /nfs/dbraw/zinc/52/93/76/572529376.db2.gz RVJBGHHPWUQZOB-ZETCQYMHSA-N 0 0 176.237 1.218 10 0 ADAERN Cc1n[nH]c(C)c1-c1oncc1C=O 74273365 572529390 /nfs/dbraw/zinc/52/93/90/572529390.db2.gz BGBFIKSYIDPWME-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN Cc1cc(-c2nn(C)cc2C=O)no1 74273568 572529395 /nfs/dbraw/zinc/52/93/95/572529395.db2.gz PJETWNVVEXZLAI-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCOC(=O)/C=C1/CC=C(CCO)O1 238292697 572529415 /nfs/dbraw/zinc/52/94/15/572529415.db2.gz VPGOYAQEVPTLHT-CLFYSBASSA-N 0 0 198.218 1.120 10 0 ADAERN O=Cc1[nH]cc2c1[C@H]1CCC[C@H]1OC2 74272908 572529427 /nfs/dbraw/zinc/52/94/27/572529427.db2.gz QFYOJJPAVCACER-WCBMZHEXSA-N 0 0 191.230 1.994 10 0 ADAERN CCS/C(=C/CO)[S@](=O)CC 238292444 572529436 /nfs/dbraw/zinc/52/94/36/572529436.db2.gz YTCYBZWURKSFGS-JPVGGKMYSA-N 0 0 194.321 1.342 10 0 ADAERN Cc1oc(C=O)cc1-c1ncnn1C 74273416 572529447 /nfs/dbraw/zinc/52/94/47/572529447.db2.gz DXNQPQBNIQKYQW-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CC[C@@](C)(CO)[C@@H](O)CC(C)C 238291420 572529462 /nfs/dbraw/zinc/52/94/62/572529462.db2.gz BIPUUDQGXWOQDQ-UWVGGRQHSA-N 0 0 174.284 1.802 10 0 ADAERN Cc1oc(C=O)cc1-c1ncn(C)n1 74273413 572529470 /nfs/dbraw/zinc/52/94/70/572529470.db2.gz DFQYKNSRPTWTGR-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCOC(=O)O/C=C/C=C/CO 238292715 572529473 /nfs/dbraw/zinc/52/94/73/572529473.db2.gz LLFIPLKOQNIWTO-BDWKERMESA-N 0 0 172.180 1.222 10 0 ADAERN CCOC[C@H](O)C(=O)c1ccccc1 238292017 572529491 /nfs/dbraw/zinc/52/94/91/572529491.db2.gz YPQQRHNCQFJWDT-JTQLQIEISA-N 0 0 194.230 1.267 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H]2CCCCC[C@H]12 250887916 572529495 /nfs/dbraw/zinc/52/94/95/572529495.db2.gz WVDJDAWVMPRKFL-LPEHRKFASA-N 0 0 197.278 1.487 10 0 ADAERN Cc1nc(C)c(-c2n[nH]cc2C=O)o1 74273572 572529546 /nfs/dbraw/zinc/52/95/46/572529546.db2.gz XPSMPVZQFCYWJA-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN Cc1cnc(-n2c(C)cnc2C=O)o1 74273434 572529577 /nfs/dbraw/zinc/52/95/77/572529577.db2.gz KKPTVODGUDCGNL-UHFFFAOYSA-N 0 0 191.190 1.290 10 0 ADAERN [NH3+]CCn1[n-]c(C2CCCC2)cc1=O 250766887 572529589 /nfs/dbraw/zinc/52/95/89/572529589.db2.gz KUJNDDYORVVXBW-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN Cc1cc(-c2nc(C)c(C=O)[nH]2)no1 74273495 572529624 /nfs/dbraw/zinc/52/96/24/572529624.db2.gz ZIVAXRHPTACYOH-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CCOC[C@H]([NH3+])[C@H](O)c1ccccc1 238291758 572529682 /nfs/dbraw/zinc/52/96/82/572529682.db2.gz LNSUNHZZDFWOCF-WDEREUQCSA-N 0 0 195.262 1.084 10 0 ADAERN Nc1cccc([C@@H](O)COC2CC2)c1 713276536 572529717 /nfs/dbraw/zinc/52/97/17/572529717.db2.gz LHVPSVDTNJENBS-NSHDSACASA-N 0 0 193.246 1.481 10 0 ADAERN CCOC[C@H]([NH3+])[C@@H](O)c1ccccc1 238291725 572529723 /nfs/dbraw/zinc/52/97/23/572529723.db2.gz LNSUNHZZDFWOCF-QWRGUYRKSA-N 0 0 195.262 1.084 10 0 ADAERN Nc1c[nH]c2c(C3CC3)noc12 250762112 572529735 /nfs/dbraw/zinc/52/97/35/572529735.db2.gz UPDSAAUAJCXRPQ-UHFFFAOYSA-N 0 0 163.180 1.616 10 0 ADAERN Cc1nocc1-c1nn(C)cc1C=O 74273565 572529740 /nfs/dbraw/zinc/52/97/40/572529740.db2.gz RPSYAEZKKBDYFT-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN C[C@@H]1CCCN1c1ncccc1C[NH3+] 37909587 572529767 /nfs/dbraw/zinc/52/97/67/572529767.db2.gz OSORIHWCIQJLHZ-SECBINFHSA-N 0 0 191.278 1.529 10 0 ADAERN Cc1ccc2c(c1)[C@H](C(=O)[O-])C[NH2+]C2 74272938 572529771 /nfs/dbraw/zinc/52/97/71/572529771.db2.gz NETQNEBZJCCQKU-SNVBAGLBSA-N 0 0 191.230 1.266 10 0 ADAERN Cc1cc(C)n(-c2oc(N)cc2C)n1 74272765 572529790 /nfs/dbraw/zinc/52/97/90/572529790.db2.gz BUWUEENMGVDSHE-UHFFFAOYSA-N 0 0 191.234 1.973 10 0 ADAERN CCCC[NH2+]C[C@@H]1CCC[C@H]1C(=O)[O-] 84307595 572529791 /nfs/dbraw/zinc/52/97/91/572529791.db2.gz NDBMQUNYXOWYNH-VHSXEESVSA-N 0 0 199.294 1.877 10 0 ADAERN CC(C)/C=C\C1(CO)CC1 307790715 572529792 /nfs/dbraw/zinc/52/97/92/572529792.db2.gz IGUSZYNMONWTCB-ARJAWSKDSA-N 0 0 140.226 1.971 10 0 ADAERN CC(C)[NH2+]C[C@H]1CCC[C@H]1C(=O)[O-] 84307575 572529796 /nfs/dbraw/zinc/52/97/96/572529796.db2.gz XXGAFSQFLJTHCD-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN OCCSCc1cccc(CO)c1 76980371 572529824 /nfs/dbraw/zinc/52/98/24/572529824.db2.gz WLPPSNSUJZEPDK-UHFFFAOYSA-N 0 0 198.287 1.404 10 0 ADAERN COC[C@](N)(C(C)C)C(F)(F)F 87499167 572529826 /nfs/dbraw/zinc/52/98/26/572529826.db2.gz LESJTZFRIZRRRB-LURJTMIESA-N 0 0 185.189 1.549 10 0 ADAERN Cc1nocc1-c1nc(C)c(C=O)[nH]1 74273503 572529832 /nfs/dbraw/zinc/52/98/32/572529832.db2.gz UQPQMXQVYUJLOD-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN Cc1c(-c2cc(C=O)no2)cnn1C 74273551 572529839 /nfs/dbraw/zinc/52/98/39/572529839.db2.gz QDOFREAZRDXOBB-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN Cc1ccc2c(c1)[C@@H](C(=O)[O-])C[NH2+]C2 74272940 572529858 /nfs/dbraw/zinc/52/98/58/572529858.db2.gz NETQNEBZJCCQKU-JTQLQIEISA-N 0 0 191.230 1.266 10 0 ADAERN [NH3+][C@H](COC1CC1)c1ccccc1 713277286 572529868 /nfs/dbraw/zinc/52/98/68/572529868.db2.gz MSTNYCAXZWQNKE-LLVKDONJSA-N 0 0 177.247 1.865 10 0 ADAERN Cc1conc1-c1nn(C)cc1C=O 74273384 572529875 /nfs/dbraw/zinc/52/98/75/572529875.db2.gz YHIWIDUIABXOSI-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCOC(=O)O[C@@H](C)C(=O)CC 238292426 572529877 /nfs/dbraw/zinc/52/98/77/572529877.db2.gz AMMJQNSTIVHHJA-LURJTMIESA-N 0 0 174.196 1.527 10 0 ADAERN CC[C@H]1Nc2ccc(N)cc2NC1=O 74272722 572529944 /nfs/dbraw/zinc/52/99/44/572529944.db2.gz LFALNIRVESOMQQ-SSDOTTSWSA-N 0 0 191.234 1.411 10 0 ADAERN CC(C)C(=O)NC[C@H]1CCC[C@@H]1CO 84313297 572529946 /nfs/dbraw/zinc/52/99/46/572529946.db2.gz SKDPMFBEXVLULC-NXEZZACHSA-N 0 0 199.294 1.167 10 0 ADAERN Cc1nc(Cc2n[nH]cc2C=O)co1 74273376 572529936 /nfs/dbraw/zinc/52/99/36/572529936.db2.gz HMGFYZXUBUBDIG-UHFFFAOYSA-N 0 0 191.190 1.109 10 0 ADAERN Cc1c(-c2ccc(F)cc2)ncn1N 74273045 572529951 /nfs/dbraw/zinc/52/99/51/572529951.db2.gz XTUZVAVPULPODE-UHFFFAOYSA-N 0 0 191.209 1.711 10 0 ADAERN Cc1ccc2c(c1)C[NH2+]C[C@@H]2C(=O)[O-] 74272933 572529972 /nfs/dbraw/zinc/52/99/72/572529972.db2.gz PNDCKRLXJBHEBI-JTQLQIEISA-N 0 0 191.230 1.266 10 0 ADAERN CC[C@H](C(=O)OC)[C@@H](C)C(N)=S 238291944 572529995 /nfs/dbraw/zinc/52/99/95/572529995.db2.gz JQCJCJGYIGHLON-RITPCOANSA-N 0 0 189.280 1.108 10 0 ADAERN C[N@@H+]1C[C@@H](CC(C)(C)C)[C@H](C(=O)[O-])C1 250717400 572532121 /nfs/dbraw/zinc/53/21/21/572532121.db2.gz UIQPSYKTFBAMSC-RKDXNWHRSA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@@H]1Nc2ccc(N)cc2NC1=O 74272723 572530026 /nfs/dbraw/zinc/53/00/26/572530026.db2.gz LFALNIRVESOMQQ-ZETCQYMHSA-N 0 0 191.234 1.411 10 0 ADAERN CCOC(=O)Oc1cccc(CO)c1 238292865 572530106 /nfs/dbraw/zinc/53/01/06/572530106.db2.gz CNKZOEKEDWUCJO-UHFFFAOYSA-N 0 0 196.202 1.714 10 0 ADAERN CCOC(=O)OC/C(C)=C(\C)CO 238292003 572530111 /nfs/dbraw/zinc/53/01/11/572530111.db2.gz KODRTTHQSNTMQX-BQYQJAHWSA-N 0 0 188.223 1.488 10 0 ADAERN CN[C@@](COC)(C(C)C)C(F)(F)F 87499179 572530144 /nfs/dbraw/zinc/53/01/44/572530144.db2.gz AMZQPOKYDGFPNP-ZETCQYMHSA-N 0 0 199.216 1.809 10 0 ADAERN C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](C(=O)[O-])C1 250704506 572530184 /nfs/dbraw/zinc/53/01/84/572530184.db2.gz PFBQJZHWKVDGIV-RKDXNWHRSA-N 0 0 199.294 1.685 10 0 ADAERN Nc1cccc([C@H](O)COC2CC2)c1 713276535 572530185 /nfs/dbraw/zinc/53/01/85/572530185.db2.gz LHVPSVDTNJENBS-LLVKDONJSA-N 0 0 193.246 1.481 10 0 ADAERN COC[C@](N)(C1CC1)C(F)(F)F 87499175 572530203 /nfs/dbraw/zinc/53/02/03/572530203.db2.gz YYBJUMQHAFTWJB-LURJTMIESA-N 0 0 183.173 1.303 10 0 ADAERN CCOC[C@H](O)OC(C)(C)C 238292364 572530213 /nfs/dbraw/zinc/53/02/13/572530213.db2.gz REDFBHDYRVXECS-SSDOTTSWSA-N 0 0 162.229 1.156 10 0 ADAERN CC(C)C[NH2+]C[C@H]1CCC[C@@H]1C(=O)[O-] 84307636 572530228 /nfs/dbraw/zinc/53/02/28/572530228.db2.gz BWQQAAYHUQSHJI-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN C[NH2+][C@H](C)c1cccc(OC2CC2)n1 713277503 572530233 /nfs/dbraw/zinc/53/02/33/572530233.db2.gz RCOWGMIYTYUCNJ-MRVPVSSYSA-N 0 0 192.262 1.903 10 0 ADAERN CC[C@H](C(C)=O)[C@@H](C)OC(C)=O 238292359 572530321 /nfs/dbraw/zinc/53/03/21/572530321.db2.gz VLJODTIJVVOLSJ-VXNVDRBHSA-N 0 0 172.224 1.553 10 0 ADAERN Cc1oncc1-c1nn(C)cc1C=O 74273380 572530343 /nfs/dbraw/zinc/53/03/43/572530343.db2.gz WALZKLCAKMAOPE-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN OCc1cc(Cl)cnc1OC1CC1 713277667 572530357 /nfs/dbraw/zinc/53/03/57/572530357.db2.gz UUXVOFMLAKOTCK-UHFFFAOYSA-N 0 0 199.637 1.769 10 0 ADAERN CC[C@H](c1ccco1)[C@@H]([NH3+])C(=O)[O-] 238292764 572530365 /nfs/dbraw/zinc/53/03/65/572530365.db2.gz GCBSCLCAGMDKDO-HTRCEHHLSA-N 0 0 183.207 1.185 10 0 ADAERN CCS[C@H](O)C(=O)c1ccccc1 238291322 572530369 /nfs/dbraw/zinc/53/03/69/572530369.db2.gz URDNCAQTCGJVLF-JTQLQIEISA-N 0 0 196.271 1.941 10 0 ADAERN C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](C(=O)[O-])C1 250704501 572530371 /nfs/dbraw/zinc/53/03/71/572530371.db2.gz PFBQJZHWKVDGIV-BDAKNGLRSA-N 0 0 199.294 1.685 10 0 ADAERN Cc1c(-c2ocnc2C=O)cnn1C 74273406 572530381 /nfs/dbraw/zinc/53/03/81/572530381.db2.gz FVOSSLVDHSEBHE-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1C(=O)[O-] 84307612 572530404 /nfs/dbraw/zinc/53/04/04/572530404.db2.gz LAXNIPCHJNFDTM-GUBZILKMSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)Cc1nccc2nc(N)[nH]c12 45337096 572531337 /nfs/dbraw/zinc/53/13/37/572531337.db2.gz ZTFUNGNMDXRNQR-UHFFFAOYSA-N 0 0 190.250 1.739 10 0 ADAERN CC(C)(C)[C@H](N)C(=O)OC1CC1 713276997 572530427 /nfs/dbraw/zinc/53/04/27/572530427.db2.gz OWRRLWIHAKMANI-SSDOTTSWSA-N 0 0 171.240 1.065 10 0 ADAERN CC(=O)N1c2ncccc2NC[C@H]1C 74272618 572531464 /nfs/dbraw/zinc/53/14/64/572531464.db2.gz UMXRRAIWIZHELM-SSDOTTSWSA-N 0 0 191.234 1.249 10 0 ADAERN CC(C)C(=O)NC[C@@H]1CCC[C@H]1CO 84313299 572530500 /nfs/dbraw/zinc/53/05/00/572530500.db2.gz SKDPMFBEXVLULC-UWVGGRQHSA-N 0 0 199.294 1.167 10 0 ADAERN Cc1coc(Cc2[nH]ncc2C=O)n1 74273372 572530502 /nfs/dbraw/zinc/53/05/02/572530502.db2.gz DTHXXRGSDSRHOM-UHFFFAOYSA-N 0 0 191.190 1.109 10 0 ADAERN CCCC(=O)NC[C@@H]1CCC[C@@H]1CO 84313688 572530507 /nfs/dbraw/zinc/53/05/07/572530507.db2.gz OOVZDSADILIPIC-VHSXEESVSA-N 0 0 199.294 1.311 10 0 ADAERN CCOC(=O)/C=C(/C)CCCCO 238291650 572530520 /nfs/dbraw/zinc/53/05/20/572530520.db2.gz ABGUPXFOCAURBK-HJWRWDBZSA-N 0 0 186.251 1.658 10 0 ADAERN CCn1c(-c2cnco2)cnc1C=O 74273431 572530540 /nfs/dbraw/zinc/53/05/40/572530540.db2.gz XLWGQILZNZHYKE-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN Cc1nc(-n2c(C)ccc2C)oc1N 74272800 572530549 /nfs/dbraw/zinc/53/05/49/572530549.db2.gz HDVBJAUABRATTB-UHFFFAOYSA-N 0 0 191.234 1.973 10 0 ADAERN CCCC(=O)NC[C@H]1CCC[C@@H]1CO 84313690 572530558 /nfs/dbraw/zinc/53/05/58/572530558.db2.gz OOVZDSADILIPIC-NXEZZACHSA-N 0 0 199.294 1.311 10 0 ADAERN C[NH2+][C@@H](C)c1cccc(OC2CC2)n1 713277507 572530640 /nfs/dbraw/zinc/53/06/40/572530640.db2.gz RCOWGMIYTYUCNJ-QMMMGPOBSA-N 0 0 192.262 1.903 10 0 ADAERN CC(=O)N1c2ncccc2NC[C@@H]1C 74272620 572530653 /nfs/dbraw/zinc/53/06/53/572530653.db2.gz UMXRRAIWIZHELM-ZETCQYMHSA-N 0 0 191.234 1.249 10 0 ADAERN C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](CC(C)(C)C)C1 250717397 572530657 /nfs/dbraw/zinc/53/06/57/572530657.db2.gz UIQPSYKTFBAMSC-DTWKUNHWSA-N 0 0 199.294 1.685 10 0 ADAERN O=Cc1[nH]cc2c1[C@@H]1CCC[C@H]1OC2 74272906 572530682 /nfs/dbraw/zinc/53/06/82/572530682.db2.gz QFYOJJPAVCACER-PSASIEDQSA-N 0 0 191.230 1.994 10 0 ADAERN CCCCO[C@H]1C[C@H]1C(C)=O 205102178 572530690 /nfs/dbraw/zinc/53/06/90/572530690.db2.gz DGNOUNSEWVIRQW-IUCAKERBSA-N 0 0 156.225 1.781 10 0 ADAERN CCCCO[C@H]1C[C@@H]1C(C)=O 205102150 572530703 /nfs/dbraw/zinc/53/07/03/572530703.db2.gz DGNOUNSEWVIRQW-BDAKNGLRSA-N 0 0 156.225 1.781 10 0 ADAERN CCc1cc(/C=C(\[NH3+])C(=O)[O-])ccn1 307790452 572530723 /nfs/dbraw/zinc/53/07/23/572530723.db2.gz TUUSTSLMFOMMKF-TWGQIWQCSA-N 0 0 192.218 1.028 10 0 ADAERN CCO[C@H](O)CC(=O)c1ccncc1 238291259 572530734 /nfs/dbraw/zinc/53/07/34/572530734.db2.gz TUQTYCNTXNPUKJ-JTQLQIEISA-N 0 0 195.218 1.009 10 0 ADAERN CC[C@H](C(=O)OC)[C@@H](N)C(F)(F)F 238292705 572530743 /nfs/dbraw/zinc/53/07/43/572530743.db2.gz AUUUFOPUFZMSME-CRCLSJGQSA-N 0 0 199.172 1.075 10 0 ADAERN CC(C)C[NH2+]C[C@@H]1CCC[C@H]1C(=O)[O-] 84307638 572530746 /nfs/dbraw/zinc/53/07/46/572530746.db2.gz BWQQAAYHUQSHJI-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN CC[C@H](C)[C@@H](C)[C@@H](C[NH3+])CC(=O)[O-] 238292797 572530764 /nfs/dbraw/zinc/53/07/64/572530764.db2.gz IZXYJQFRAQXPLJ-DJLDLDEBSA-N 0 0 187.283 1.718 10 0 ADAERN C[C@@]1(/C=C\c2ccco2)COC(=O)N1 90662887 572530772 /nfs/dbraw/zinc/53/07/72/572530772.db2.gz MTCGCNZSHXTYLW-UMCURTJPSA-N 0 0 193.202 1.791 10 0 ADAERN CCOC(=O)OCC(C)(C)CO 238292057 572530776 /nfs/dbraw/zinc/53/07/76/572530776.db2.gz IYRYUHNAJWYGBG-UHFFFAOYSA-N 0 0 176.212 1.178 10 0 ADAERN CCCCO[C@@H]1C[C@@H]1C(C)=O 205102136 572530780 /nfs/dbraw/zinc/53/07/80/572530780.db2.gz DGNOUNSEWVIRQW-RKDXNWHRSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1cc(-c2nc(C)c(C=O)[nH]2)on1 74273504 572530786 /nfs/dbraw/zinc/53/07/86/572530786.db2.gz ICKOFCRFHNNCIZ-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CC(C)c1nccc2nc(N)[nH]c12 45337094 572530808 /nfs/dbraw/zinc/53/08/08/572530808.db2.gz PSUIDWCIHHZLNA-UHFFFAOYSA-N 0 0 176.223 1.664 10 0 ADAERN CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1C(=O)[O-] 84307631 572530825 /nfs/dbraw/zinc/53/08/25/572530825.db2.gz BWQQAAYHUQSHJI-UWVGGRQHSA-N 0 0 199.294 1.733 10 0 ADAERN CN[C@](COC)(C(C)C)C(F)(F)F 87499181 572530855 /nfs/dbraw/zinc/53/08/55/572530855.db2.gz AMZQPOKYDGFPNP-SSDOTTSWSA-N 0 0 199.216 1.809 10 0 ADAERN Cc1cc(-c2nn(C)cc2C=O)on1 74273382 572530908 /nfs/dbraw/zinc/53/09/08/572530908.db2.gz CPHBZBRPJCURSP-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN Brc1cc2n(n1)CCN2 250771405 572530937 /nfs/dbraw/zinc/53/09/37/572530937.db2.gz NAORHOOXQPNJNU-UHFFFAOYSA-N 0 0 188.028 1.071 10 0 ADAERN CC(=O)N1C[C@H](C)Nc2ncccc21 74272626 572530959 /nfs/dbraw/zinc/53/09/59/572530959.db2.gz TVVNBXIWDCGHQF-ZETCQYMHSA-N 0 0 191.234 1.249 10 0 ADAERN CCCC(=O)NC[C@@H]1CCC[C@H]1CO 84313693 572530972 /nfs/dbraw/zinc/53/09/72/572530972.db2.gz OOVZDSADILIPIC-UWVGGRQHSA-N 0 0 199.294 1.311 10 0 ADAERN Cc1ccnn1-c1ccc(F)c(N)c1 74273052 572530983 /nfs/dbraw/zinc/53/09/83/572530983.db2.gz APUAPJGOIRCNSN-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CCc1onc(-c2ccn(C)c2)c1N 74272670 572530987 /nfs/dbraw/zinc/53/09/87/572530987.db2.gz OUHKWEDGEWOXNM-UHFFFAOYSA-N 0 0 191.234 1.825 10 0 ADAERN Cc1ccn(-c2cc(N)ccc2F)n1 74273056 572530990 /nfs/dbraw/zinc/53/09/90/572530990.db2.gz KTDXDFPFQOBUBB-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1ncc(-c2cnc(C=O)n2C)o1 74273442 572530993 /nfs/dbraw/zinc/53/09/93/572530993.db2.gz PXQYMAUHQLDSKY-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CCO[C@H](OC)[C@H](O)c1ccccc1 238291968 572531016 /nfs/dbraw/zinc/53/10/16/572531016.db2.gz BIAQAHHCKGIREB-MNOVXSKESA-N 0 0 196.246 1.729 10 0 ADAERN CCS/C(=C/CO)[S@@](=O)CC 238292433 572531021 /nfs/dbraw/zinc/53/10/21/572531021.db2.gz YTCYBZWURKSFGS-XOIDGJRKSA-N 0 0 194.321 1.342 10 0 ADAERN O=Cc1cc(-c2cncnc2)ns1 74273017 572531053 /nfs/dbraw/zinc/53/10/53/572531053.db2.gz AKSSPKUSXOXOQH-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN CCOC(=O)C=C(N)CC(C)(C)C 238292312 572531060 /nfs/dbraw/zinc/53/10/60/572531060.db2.gz BQKRNVZDRHQNPU-SOFGYWHQSA-N 0 0 185.267 1.828 10 0 ADAERN Cc1nn(C)cc1-c1ncc(C=O)o1 74273419 572531070 /nfs/dbraw/zinc/53/10/70/572531070.db2.gz ZGVZLHIQTVXKIV-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN O=Cc1[nH]cc2c1[C@@H]1CCC[C@@H]1OC2 74272902 572531111 /nfs/dbraw/zinc/53/11/11/572531111.db2.gz QFYOJJPAVCACER-SCZZXKLOSA-N 0 0 191.230 1.994 10 0 ADAERN CCc1cnc(C=O)n1-c1ccon1 74273428 572531130 /nfs/dbraw/zinc/53/11/30/572531130.db2.gz PAWWMLLMPCMWQE-UHFFFAOYSA-N 0 0 191.190 1.235 10 0 ADAERN C[NH2+][C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]12 250706907 572531132 /nfs/dbraw/zinc/53/11/32/572531132.db2.gz FFMNZENLFSXBFF-DOLQZWNJSA-N 0 0 197.278 1.485 10 0 ADAERN CC(C)C(=O)NC[C@H]1CCC[C@H]1CO 84313301 572531153 /nfs/dbraw/zinc/53/11/53/572531153.db2.gz SKDPMFBEXVLULC-ZJUUUORDSA-N 0 0 199.294 1.167 10 0 ADAERN CCc1cnc(C=O)n1-c1ncco1 74273439 572531154 /nfs/dbraw/zinc/53/11/54/572531154.db2.gz KWRQCZWUMCZFDG-UHFFFAOYSA-N 0 0 191.190 1.235 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]C[C@H]2CCCCC[C@@H]21 250887913 572532467 /nfs/dbraw/zinc/53/24/67/572532467.db2.gz WVDJDAWVMPRKFL-KXUCPTDWSA-N 0 0 197.278 1.487 10 0 ADAERN C[NH2+][C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]12 250706910 572531163 /nfs/dbraw/zinc/53/11/63/572531163.db2.gz FFMNZENLFSXBFF-XFWSIPNHSA-N 0 0 197.278 1.485 10 0 ADAERN Cc1n[nH]cc1Cc1oncc1C=O 74273368 572531191 /nfs/dbraw/zinc/53/11/91/572531191.db2.gz KTKHQVNBOKHNJR-UHFFFAOYSA-N 0 0 191.190 1.109 10 0 ADAERN [NH3+][C@@H](COC1CC1)c1ccccc1 713277288 572531193 /nfs/dbraw/zinc/53/11/93/572531193.db2.gz MSTNYCAXZWQNKE-NSHDSACASA-N 0 0 177.247 1.865 10 0 ADAERN Cc1noc(NCCOCC2CC2)n1 235964385 572531201 /nfs/dbraw/zinc/53/12/01/572531201.db2.gz DFJZHFJCUSYIPS-UHFFFAOYSA-N 0 0 197.238 1.217 10 0 ADAERN CC(C)[NH2+][C@]1(CC(=O)[O-])CC[C@H]2C[C@H]21 250703050 572532661 /nfs/dbraw/zinc/53/26/61/572532661.db2.gz BFURSOYVQNBIBZ-NGZCFLSTSA-N 0 0 197.278 1.628 10 0 ADAERN O=Cc1[nH]cc2c1[C@H]1CCC[C@@H]1OC2 74272904 572531218 /nfs/dbraw/zinc/53/12/18/572531218.db2.gz QFYOJJPAVCACER-WPRPVWTQSA-N 0 0 191.230 1.994 10 0 ADAERN Cc1cc(C)n(-c2cc(C)c(N)o2)n1 74272767 572531226 /nfs/dbraw/zinc/53/12/26/572531226.db2.gz YHJRCDTYVRFIQM-UHFFFAOYSA-N 0 0 191.234 1.973 10 0 ADAERN Cc1ccnc(-c2o[nH]c(=O)c2N)c1 74273460 572531244 /nfs/dbraw/zinc/53/12/44/572531244.db2.gz NCPCDWQQCYBUAR-UHFFFAOYSA-N 0 0 191.190 1.333 10 0 ADAERN Cc1nc(C)c(-c2nc(C=O)c[nH]2)o1 74273390 572531251 /nfs/dbraw/zinc/53/12/51/572531251.db2.gz NYCCRPDSYLANDR-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CC#CCC[NH2+][C@@H](C)[C@H](C)C(=O)[O-] 125709751 572532537 /nfs/dbraw/zinc/53/25/37/572532537.db2.gz BWFCGQPXPFSCBX-IUCAKERBSA-N 0 0 183.251 1.099 10 0 ADAERN CC(C)n1cnc2cc(O)c(N)cc21 74272692 572531277 /nfs/dbraw/zinc/53/12/77/572531277.db2.gz PVFZCSCITUOLHS-UHFFFAOYSA-N 0 0 191.234 1.905 10 0 ADAERN Cc1nn(C)cc1-c1cc(C=O)no1 74273555 572531283 /nfs/dbraw/zinc/53/12/83/572531283.db2.gz QYRDVMVBEDGVBS-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN Cc1nc(N)cn1-c1ccc(F)cc1 74273038 572531297 /nfs/dbraw/zinc/53/12/97/572531297.db2.gz JNAFTVAZPXGUKM-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1ccc2c(c1)C[NH2+]C[C@H]2C(=O)[O-] 74272935 572531302 /nfs/dbraw/zinc/53/13/02/572531302.db2.gz PNDCKRLXJBHEBI-SNVBAGLBSA-N 0 0 191.230 1.266 10 0 ADAERN Cc1nc(C)c(-c2cc(C=O)[nH]n2)o1 74273547 572531326 /nfs/dbraw/zinc/53/13/26/572531326.db2.gz HBLTUFICMXKPNH-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN CN[C@](COC)(C1CC1)C(F)(F)F 87499186 572531365 /nfs/dbraw/zinc/53/13/65/572531365.db2.gz YLYGWPBRBJLZPM-SSDOTTSWSA-N 0 0 197.200 1.563 10 0 ADAERN Cc1noc(NCCCC2CC2)n1 235964150 572531373 /nfs/dbraw/zinc/53/13/73/572531373.db2.gz XONXAIJZTGYRBY-UHFFFAOYSA-N 0 0 181.239 1.980 10 0 ADAERN Cc1cn(C)nc1-c1ncc(C=O)o1 74273422 572531440 /nfs/dbraw/zinc/53/14/40/572531440.db2.gz XQBOGRBXTFPBPV-UHFFFAOYSA-N 0 0 191.190 1.196 10 0 ADAERN CC(C)[S@@](=N)(=O)N1C[C@H]2C[C@H]2C1 404568545 572531447 /nfs/dbraw/zinc/53/14/47/572531447.db2.gz FNPBWZHJBPEDGS-SXMVTHIZSA-N 0 0 188.296 1.308 10 0 ADAERN Cc1cc(=O)n(CC[C@@H]2CCC[NH2+]2)[n-]1 250881844 572531448 /nfs/dbraw/zinc/53/14/48/572531448.db2.gz VCXNHEVBDFXOIJ-VIFPVBQESA-N 0 0 195.266 1.039 10 0 ADAERN O=Cc1cnoc1CCc1ccco1 74273659 572532594 /nfs/dbraw/zinc/53/25/94/572532594.db2.gz NQELYNTXWIDCNM-UHFFFAOYSA-N 0 0 191.186 1.865 10 0 ADAERN CCO[C@H](CO)[C@@H](O)c1ccccc1 238289967 572531491 /nfs/dbraw/zinc/53/14/91/572531491.db2.gz PKLBDKRWFPCOPH-MNOVXSKESA-N 0 0 196.246 1.117 10 0 ADAERN C[C@H](O)/C=C1\C[C@H](C)[C@H]1C 307790216 572531501 /nfs/dbraw/zinc/53/15/01/572531501.db2.gz QPBHBPMAHPSGNR-OZTQDWKNSA-N 0 0 140.226 1.970 10 0 ADAERN CCc1cc(N(C)CCCO)cc[nH+]1 307790229 572531593 /nfs/dbraw/zinc/53/15/93/572531593.db2.gz RQQXMUUKPFUGLF-UHFFFAOYSA-N 0 0 194.278 1.463 10 0 ADAERN CCC/C=C\[C@@H](O)OC 307791222 572531615 /nfs/dbraw/zinc/53/16/15/572531615.db2.gz BGEQLHYMIDHRAX-RBSILHGTSA-N 0 0 130.187 1.308 10 0 ADAERN CC[C@](C)(O)CC[C@@H](O)C(C)(C)O 238290598 572531734 /nfs/dbraw/zinc/53/17/34/572531734.db2.gz SMHYBCKNKBWVFT-SCZZXKLOSA-N 0 0 190.283 1.059 10 0 ADAERN CC[C@](C)(O)Cc1ccccc1CO 238290971 572531738 /nfs/dbraw/zinc/53/17/38/572531738.db2.gz JTJVYMRDELLONN-LBPRGKRZSA-N 0 0 194.274 1.882 10 0 ADAERN C[NH2+][C@@H]1C[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 250706908 572531750 /nfs/dbraw/zinc/53/17/50/572531750.db2.gz FFMNZENLFSXBFF-QCLAVDOMSA-N 0 0 197.278 1.485 10 0 ADAERN Cc1cc(=O)n(CC[C@H]2CCC[NH2+]2)[n-]1 250881840 572531787 /nfs/dbraw/zinc/53/17/87/572531787.db2.gz VCXNHEVBDFXOIJ-SECBINFHSA-N 0 0 195.266 1.039 10 0 ADAERN CCOc1ccc(N[C@H](C)CO)cc1 238290243 572531789 /nfs/dbraw/zinc/53/17/89/572531789.db2.gz UTNGUMJWILHDEM-SECBINFHSA-N 0 0 195.262 1.878 10 0 ADAERN CC[C@](C)(O)C(=O)C[C@H](C)OC 238290066 572531820 /nfs/dbraw/zinc/53/18/20/572531820.db2.gz PAOPMTHMKUWFHD-CBAPKCEASA-N 0 0 174.240 1.142 10 0 ADAERN CC(C)(C)c1cnc2cc(N)nn2c1 74274074 572531843 /nfs/dbraw/zinc/53/18/43/572531843.db2.gz HCFZXGXJAQMAEY-UHFFFAOYSA-N 0 0 190.250 1.609 10 0 ADAERN COC[C@@H](C1CC1)[C@H](O)C(C)C 87501125 572531883 /nfs/dbraw/zinc/53/18/83/572531883.db2.gz OOMBLMRRCRUYNI-VHSXEESVSA-N 0 0 172.268 1.676 10 0 ADAERN CC[C@H](CC(=O)C(C)C)NC(C)=O 238293294 572531923 /nfs/dbraw/zinc/53/19/23/572531923.db2.gz XMTOIDGZTUFPSF-SECBINFHSA-N 0 0 185.267 1.516 10 0 ADAERN CCOC(=O)C(C)(C)SCCO 238294791 572531936 /nfs/dbraw/zinc/53/19/36/572531936.db2.gz VNLQXLOXSCSIOS-UHFFFAOYSA-N 0 0 192.280 1.054 10 0 ADAERN CC[C@H](O)[C@@H](COC)C(C)C 87501110 572531972 /nfs/dbraw/zinc/53/19/72/572531972.db2.gz MQGFFYRDRPZDKX-IUCAKERBSA-N 0 0 160.257 1.676 10 0 ADAERN O=CC(=O)c1c[nH]c2ccc(F)cc12 74273686 572531985 /nfs/dbraw/zinc/53/19/85/572531985.db2.gz DNZALNYWBHGJPV-UHFFFAOYSA-N 0 0 191.161 1.689 10 0 ADAERN Cc1cc(-c2cnc(C=O)cn2)no1 74276561 572531989 /nfs/dbraw/zinc/53/19/89/572531989.db2.gz KVSLMWPVXCYZMZ-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN CC[C@](C)(O)CCC[C@](C)(O)CO 238290565 572532038 /nfs/dbraw/zinc/53/20/38/572532038.db2.gz SNRSSYZRUWEQJM-UWVGGRQHSA-N 0 0 190.283 1.061 10 0 ADAERN CC[C@H](C(N)=O)[C@@H](O)c1ccccc1 238293482 572532041 /nfs/dbraw/zinc/53/20/41/572532041.db2.gz INZVAFPVEACZML-UWVGGRQHSA-N 0 0 193.246 1.232 10 0 ADAERN Nc1ccc([C@H](O)COC2CC2)cc1 713277949 572532042 /nfs/dbraw/zinc/53/20/42/572532042.db2.gz YCYZBOJLKRDJET-LLVKDONJSA-N 0 0 193.246 1.481 10 0 ADAERN O[C@H]1CCSC[C@]12CCSC2 74273773 572532199 /nfs/dbraw/zinc/53/21/99/572532199.db2.gz BQVXZKGKUPFOTI-YUMQZZPRSA-N 0 0 190.333 1.608 10 0 ADAERN CCC(=O)NC[C@@H]1CCCC[C@H]1CO 84318855 572532047 /nfs/dbraw/zinc/53/20/47/572532047.db2.gz KNUBBAARMUJCQR-UWVGGRQHSA-N 0 0 199.294 1.311 10 0 ADAERN CC[C@@H](O)[C@H](COC)C(C)C 87501119 572533612 /nfs/dbraw/zinc/53/36/12/572533612.db2.gz MQGFFYRDRPZDKX-RKDXNWHRSA-N 0 0 160.257 1.676 10 0 ADAERN CCS[C@H](CO)COC(C)(C)C 238291059 572532205 /nfs/dbraw/zinc/53/22/05/572532205.db2.gz VXBTZAVGAQGLSR-MRVPVSSYSA-N 0 0 192.324 1.916 10 0 ADAERN CCO[C@H](NC#N)c1ccco1 238290975 572532227 /nfs/dbraw/zinc/53/22/27/572532227.db2.gz MSDGODSCPOPNOS-QMMMGPOBSA-N 0 0 166.180 1.385 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C(C)(C)C)C1 250712591 572532235 /nfs/dbraw/zinc/53/22/35/572532235.db2.gz RXVHARIVSSLJOK-BDAKNGLRSA-N 0 0 199.294 1.685 10 0 ADAERN O=CC(=O)c1c[nH]c2cc(F)ccc12 74273689 572532254 /nfs/dbraw/zinc/53/22/54/572532254.db2.gz ZGKGMKOFJKVOPR-UHFFFAOYSA-N 0 0 191.161 1.689 10 0 ADAERN CC#CCC[NH2+][C@H](C)[C@@H](C)C(=O)[O-] 125709505 572532470 /nfs/dbraw/zinc/53/24/70/572532470.db2.gz BWFCGQPXPFSCBX-RKDXNWHRSA-N 0 0 183.251 1.099 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C(C)(C)C)C1 250712596 572532353 /nfs/dbraw/zinc/53/23/53/572532353.db2.gz RXVHARIVSSLJOK-RKDXNWHRSA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@H](C(N)=O)[C@@H](O)C1CCCC1 238293263 572532464 /nfs/dbraw/zinc/53/24/64/572532464.db2.gz CDGSIZYKXPHGHG-IUCAKERBSA-N 0 0 185.267 1.049 10 0 ADAERN C[C@H](O)/C=C1\C[C@H](C)[C@@H]1C 307790215 572532394 /nfs/dbraw/zinc/53/23/94/572532394.db2.gz QPBHBPMAHPSGNR-HSWZZFRHSA-N 0 0 140.226 1.970 10 0 ADAERN CC#CCC[NH2+][C@H](C)[C@H](C)C(=O)[O-] 125710002 572532443 /nfs/dbraw/zinc/53/24/43/572532443.db2.gz BWFCGQPXPFSCBX-DTWKUNHWSA-N 0 0 183.251 1.099 10 0 ADAERN [NH3+]CCc1c[n-]n(C2CCCC2)c1=O 250730257 572532450 /nfs/dbraw/zinc/53/24/50/572532450.db2.gz DXKFBGSWSDCHFV-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN CCO[C@H]1CCC=C[C@@H]1CC(N)=O 238293515 572532512 /nfs/dbraw/zinc/53/25/12/572532512.db2.gz PXVHJBJDNLAMEU-BDAKNGLRSA-N 0 0 183.251 1.233 10 0 ADAERN CC[C@H](C)[C@@H](C)n1cc(CO)cn1 238293056 572532518 /nfs/dbraw/zinc/53/25/18/572532518.db2.gz YFYFGWVYFFMFNL-DTWKUNHWSA-N 0 0 182.267 1.983 10 0 ADAERN Nc1ccc([C@@H](O)COC2CC2)cc1 713277950 572532557 /nfs/dbraw/zinc/53/25/57/572532557.db2.gz YCYZBOJLKRDJET-NSHDSACASA-N 0 0 193.246 1.481 10 0 ADAERN CCC(=O)NC[C@@H]1CCCC[C@@H]1CO 84318850 572532582 /nfs/dbraw/zinc/53/25/82/572532582.db2.gz KNUBBAARMUJCQR-VHSXEESVSA-N 0 0 199.294 1.311 10 0 ADAERN CC[C@](C)(O)CC/C=C/CO 238290677 572532630 /nfs/dbraw/zinc/53/26/30/572532630.db2.gz NLFHUNMNWXWNSS-DNQSNQRASA-N 0 0 158.241 1.476 10 0 ADAERN CC[C@](C)(SCCO)C(C)=O 238293062 572532624 /nfs/dbraw/zinc/53/26/24/572532624.db2.gz ZYAJEOUZZNWZFF-QMMMGPOBSA-N 0 0 176.281 1.470 10 0 ADAERN O=CC(=O)c1c[nH]c2cccc(F)c12 74273690 572533038 /nfs/dbraw/zinc/53/30/38/572533038.db2.gz NPZCQBVFSRYJQC-UHFFFAOYSA-N 0 0 191.161 1.689 10 0 ADAERN N#CCc1nc2cc(O)c(N)cc2o1 74276586 572533607 /nfs/dbraw/zinc/53/36/07/572533607.db2.gz YMBRIZBKTBETJB-UHFFFAOYSA-N 0 0 189.174 1.182 10 0 ADAERN CC(C)Cc1cnc2cc(N)nn2c1 74274071 572532920 /nfs/dbraw/zinc/53/29/20/572532920.db2.gz FVEDZKVUYRKBKS-UHFFFAOYSA-N 0 0 190.250 1.510 10 0 ADAERN CC[C@H](CC(=O)CC(C)C)NC(C)=O 238293315 572532931 /nfs/dbraw/zinc/53/29/31/572532931.db2.gz DLXKKTWGZITMOF-SNVBAGLBSA-N 0 0 199.294 1.906 10 0 ADAERN CCOC(=O)C(=S)NCC(C)C 238293191 572532954 /nfs/dbraw/zinc/53/29/54/572532954.db2.gz ZHUVIYICSVXPQH-UHFFFAOYSA-N 0 0 189.280 1.123 10 0 ADAERN C[C@H](Nc1ccn(C)n1)c1cc[nH]n1 37908301 572532961 /nfs/dbraw/zinc/53/29/61/572532961.db2.gz GRDUXQQNAINSDI-ZETCQYMHSA-N 0 0 191.238 1.316 10 0 ADAERN CCOC(=O)C(=S)N[C@@H](C)CC 238293225 572532871 /nfs/dbraw/zinc/53/28/71/572532871.db2.gz OEZHTYOEGOQGFF-LURJTMIESA-N 0 0 189.280 1.265 10 0 ADAERN CCO[C@H](CO)[C@H](O)c1ccccc1 238289994 572532892 /nfs/dbraw/zinc/53/28/92/572532892.db2.gz PKLBDKRWFPCOPH-GHMZBOCLSA-N 0 0 196.246 1.117 10 0 ADAERN CCO[C@H](NC(=O)OC)C(C)C 238291034 572532979 /nfs/dbraw/zinc/53/29/79/572532979.db2.gz FQRXERCOLHTHCC-ZETCQYMHSA-N 0 0 175.228 1.361 10 0 ADAERN CC[C@H](O)[C@H](COC)C(C)C 87501116 572532984 /nfs/dbraw/zinc/53/29/84/572532984.db2.gz MQGFFYRDRPZDKX-BDAKNGLRSA-N 0 0 160.257 1.676 10 0 ADAERN CC[C@](C)(O)C[C@H](O)COC(C)C 238290940 572532988 /nfs/dbraw/zinc/53/29/88/572532988.db2.gz YQLOASIFKDUDLQ-UWVGGRQHSA-N 0 0 190.283 1.323 10 0 ADAERN CC[C@H](O)[C@@H](COC)C1CC1 87501098 572532997 /nfs/dbraw/zinc/53/29/97/572532997.db2.gz XTJPNBDDVFBKKT-IUCAKERBSA-N 0 0 158.241 1.430 10 0 ADAERN Cc1ccc(-c2oncc2C=O)nn1 74276594 572533029 /nfs/dbraw/zinc/53/30/29/572533029.db2.gz IJCAKRKIKLCYRX-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN COc1cc(N)cnc1NC(C)(C)C 76982581 572533880 /nfs/dbraw/zinc/53/38/80/572533880.db2.gz ABYSPWOCAQWBHF-UHFFFAOYSA-N 0 0 195.266 1.883 10 0 ADAERN CCN(CC)C(=O)NCC(F)(F)F 90136808 572533070 /nfs/dbraw/zinc/53/30/70/572533070.db2.gz GEUSMAREQWTWHZ-UHFFFAOYSA-N 0 0 198.188 1.600 10 0 ADAERN COC[C@H](C(=O)C(C)C)C1CC1 87500709 572534250 /nfs/dbraw/zinc/53/42/50/572534250.db2.gz GZUSYAGLXNSMQM-VIFPVBQESA-N 0 0 170.252 1.884 10 0 ADAERN CCO[C@H](O)C(=O)CCC=C(C)C 238291137 572533116 /nfs/dbraw/zinc/53/31/16/572533116.db2.gz IPXJQMVJAOYRRP-JTQLQIEISA-N 0 0 186.251 1.657 10 0 ADAERN CCC(=O)[C@H](COC)C(C)C 87500695 572533138 /nfs/dbraw/zinc/53/31/38/572533138.db2.gz FLSCYOXRYLVPNO-MRVPVSSYSA-N 0 0 158.241 1.884 10 0 ADAERN CC[C@H](CC(=O)CCOC)OC 238293425 572533140 /nfs/dbraw/zinc/53/31/40/572533140.db2.gz TZQMHRVEENQHSX-SECBINFHSA-N 0 0 174.240 1.407 10 0 ADAERN C=CC(=O)NC[C@H]1CCCC[C@@H]1CO 84318754 572533141 /nfs/dbraw/zinc/53/31/41/572533141.db2.gz SXEKFZQKVNIYLP-NXEZZACHSA-N 0 0 197.278 1.087 10 0 ADAERN CCC/C=C\[C@H](O)OC 307791221 572533153 /nfs/dbraw/zinc/53/31/53/572533153.db2.gz BGEQLHYMIDHRAX-KXTMECRCSA-N 0 0 130.187 1.308 10 0 ADAERN COC[C@@H](C1CC1)[C@@H](O)C(C)C 87501122 572533159 /nfs/dbraw/zinc/53/31/59/572533159.db2.gz OOMBLMRRCRUYNI-UWVGGRQHSA-N 0 0 172.268 1.676 10 0 ADAERN CCO[C@H](CO)COC(C)(C)C 238289901 572533200 /nfs/dbraw/zinc/53/32/00/572533200.db2.gz AGCJDYSFFYKADV-MRVPVSSYSA-N 0 0 176.256 1.199 10 0 ADAERN CCC(=O)NC[C@H]1CCCC[C@H]1CO 84318857 572533224 /nfs/dbraw/zinc/53/32/24/572533224.db2.gz KNUBBAARMUJCQR-ZJUUUORDSA-N 0 0 199.294 1.311 10 0 ADAERN CC[C@](C)(O)CCC[C@@](C)(O)CO 238290541 572533227 /nfs/dbraw/zinc/53/32/27/572533227.db2.gz SNRSSYZRUWEQJM-VHSXEESVSA-N 0 0 190.283 1.061 10 0 ADAERN CC(=O)N1CCNc2cccc(C)c21 74274212 572533464 /nfs/dbraw/zinc/53/34/64/572533464.db2.gz GARMOPNHAFLGQJ-UHFFFAOYSA-N 0 0 190.246 1.773 10 0 ADAERN O=CC(=O)c1c[nH]c2c(F)cccc12 74273683 572533243 /nfs/dbraw/zinc/53/32/43/572533243.db2.gz QWCNTRVTFRCNOT-UHFFFAOYSA-N 0 0 191.161 1.689 10 0 ADAERN COC[C@H](C1CC1)[C@H](O)C(C)C 87501131 572533250 /nfs/dbraw/zinc/53/32/50/572533250.db2.gz OOMBLMRRCRUYNI-NXEZZACHSA-N 0 0 172.268 1.676 10 0 ADAERN COC[C@@H](C(C)C)[C@H](O)C(C)C 87501137 572533267 /nfs/dbraw/zinc/53/32/67/572533267.db2.gz HFVGWPQNXPNISN-VHSXEESVSA-N 0 0 174.284 1.922 10 0 ADAERN Cc1ncc(-c2oncc2C=O)cn1 74276587 572533274 /nfs/dbraw/zinc/53/32/74/572533274.db2.gz BOTGIGYVTRAJQB-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN CCOC[C@H](C)[C@H]1CCC(=O)NC1 238290900 572533279 /nfs/dbraw/zinc/53/32/79/572533279.db2.gz ZZXAXEYPLHODEG-IUCAKERBSA-N 0 0 185.267 1.185 10 0 ADAERN CCC(=O)[C@@H](COC)C(C)C 87500692 572533325 /nfs/dbraw/zinc/53/33/25/572533325.db2.gz FLSCYOXRYLVPNO-QMMMGPOBSA-N 0 0 158.241 1.884 10 0 ADAERN CCn1c(CCC(=O)[O-])cnc1C 238290068 572533336 /nfs/dbraw/zinc/53/33/36/572533336.db2.gz HQFVTLLZRJSVKG-UHFFFAOYSA-N 0 0 182.223 1.229 10 0 ADAERN CCOc1ccc(N[C@@H](C)CO)cc1 238290041 572533347 /nfs/dbraw/zinc/53/33/47/572533347.db2.gz UTNGUMJWILHDEM-VIFPVBQESA-N 0 0 195.262 1.878 10 0 ADAERN CC[C@H](C)[C@@H](C)CC(=O)NC(N)=O 238290662 572533394 /nfs/dbraw/zinc/53/33/94/572533394.db2.gz HDHDIRPMRLVMMP-BQBZGAKWSA-N 0 0 186.255 1.254 10 0 ADAERN CCOC(=O)C(=S)N[C@H](C)CC 238293239 572533450 /nfs/dbraw/zinc/53/34/50/572533450.db2.gz OEZHTYOEGOQGFF-ZCFIWIBFSA-N 0 0 189.280 1.265 10 0 ADAERN Cc1cc(-c2cn(N)cn2)n(C)c1C 74274047 572533473 /nfs/dbraw/zinc/53/34/73/572533473.db2.gz GLQJEEHSVCEZOL-UHFFFAOYSA-N 0 0 190.250 1.219 10 0 ADAERN C=CC(=O)NC[C@H]1CCCC[C@H]1CO 84318760 572533476 /nfs/dbraw/zinc/53/34/76/572533476.db2.gz SXEKFZQKVNIYLP-ZJUUUORDSA-N 0 0 197.278 1.087 10 0 ADAERN CCOC(=O)SCCNC(C)=O 238293052 572533481 /nfs/dbraw/zinc/53/34/81/572533481.db2.gz YZDTUSGWGCRJSA-UHFFFAOYSA-N 0 0 191.252 1.012 10 0 ADAERN CCOC[C@H](C)[C@@H]1CCC(=O)NC1 238290812 572533485 /nfs/dbraw/zinc/53/34/85/572533485.db2.gz ZZXAXEYPLHODEG-DTWKUNHWSA-N 0 0 185.267 1.185 10 0 ADAERN Cc1cc(-c2oncc2C=O)ncn1 74276591 572533510 /nfs/dbraw/zinc/53/35/10/572533510.db2.gz GQDFOTBRGBYYTH-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN CCc1c(CCC(=O)[O-])c[nH]c1C[NH3+] 238293302 572533576 /nfs/dbraw/zinc/53/35/76/572533576.db2.gz SUVJKXFWGFAVSK-UHFFFAOYSA-N 0 0 196.250 1.053 10 0 ADAERN CC(C)[S@](=N)(=O)N1C[C@H]2C[C@H]2C1 404568544 572533587 /nfs/dbraw/zinc/53/35/87/572533587.db2.gz FNPBWZHJBPEDGS-RGNHYFCHSA-N 0 0 188.296 1.308 10 0 ADAERN C=CC(=O)NC[C@@H]1CCCC[C@H]1CO 84318758 572533594 /nfs/dbraw/zinc/53/35/94/572533594.db2.gz SXEKFZQKVNIYLP-UWVGGRQHSA-N 0 0 197.278 1.087 10 0 ADAERN CCO[C@H](NC(=O)OC)C(C)(C)C 238291018 572533595 /nfs/dbraw/zinc/53/35/95/572533595.db2.gz BITZBOLLUOIGRL-ZETCQYMHSA-N 0 0 189.255 1.751 10 0 ADAERN CC[C@H](C(N)=O)[C@@H](O)C1CCCCC1 238293274 572533602 /nfs/dbraw/zinc/53/36/02/572533602.db2.gz FJGILDKZSHHTDZ-UWVGGRQHSA-N 0 0 199.294 1.439 10 0 ADAERN CCO[C@H](NC(=O)OC)[C@H](C)CC 238291058 572533618 /nfs/dbraw/zinc/53/36/18/572533618.db2.gz URFLSBAEQNFTGO-SFYZADRCSA-N 0 0 189.255 1.751 10 0 ADAERN Nc1c[nH]c2cc3oc(=O)[nH]c3cc12 74276610 572533635 /nfs/dbraw/zinc/53/36/35/572533635.db2.gz BREHZGQFRNERJO-UHFFFAOYSA-N 0 0 189.174 1.185 10 0 ADAERN CC(C)CCN1CCC[NH2+][C@@H](C)C1=O 63215042 572535036 /nfs/dbraw/zinc/53/50/36/572535036.db2.gz OQABNSQMUIKQDX-JTQLQIEISA-N 0 0 198.310 1.243 10 0 ADAERN CCO[C@H](NC(=O)OC)[C@@H](C)CC 238291050 572533645 /nfs/dbraw/zinc/53/36/45/572533645.db2.gz URFLSBAEQNFTGO-YUMQZZPRSA-N 0 0 189.255 1.751 10 0 ADAERN Cc1nc(C=O)c2c(n1)CCCCC2 74274307 572533657 /nfs/dbraw/zinc/53/36/57/572533657.db2.gz JCGSENQVBCEEJO-UHFFFAOYSA-N 0 0 190.246 1.866 10 0 ADAERN CC#CCC[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] 125709268 572533684 /nfs/dbraw/zinc/53/36/84/572533684.db2.gz BWFCGQPXPFSCBX-BDAKNGLRSA-N 0 0 183.251 1.099 10 0 ADAERN O=C([O-])C[C@@H]1C[NH2+][C@@H]2CCCCC[C@@H]12 250803827 572533697 /nfs/dbraw/zinc/53/36/97/572533697.db2.gz BZTZQGXOIWGBFY-KXUCPTDWSA-N 0 0 197.278 1.629 10 0 ADAERN CCc1c(CC(N)=O)cccc1OC 238293144 572533708 /nfs/dbraw/zinc/53/37/08/572533708.db2.gz OXJWYDLAYZGVOD-UHFFFAOYSA-N 0 0 193.246 1.285 10 0 ADAERN CCC(=O)NC[C@H]1CCCC[C@@H]1CO 84318853 572533719 /nfs/dbraw/zinc/53/37/19/572533719.db2.gz KNUBBAARMUJCQR-NXEZZACHSA-N 0 0 199.294 1.311 10 0 ADAERN CCOc1nc(OC2CC2)ccc1N 713277951 572533758 /nfs/dbraw/zinc/53/37/58/572533758.db2.gz YDSVYNDHRXKFDH-UHFFFAOYSA-N 0 0 194.234 1.604 10 0 ADAERN O=Cc1c[nH]nc1-c1ccc[nH]1 250794996 572533816 /nfs/dbraw/zinc/53/38/16/572533816.db2.gz WZXWRWYCYHYHNI-UHFFFAOYSA-N 0 0 161.164 1.217 10 0 ADAERN Cn1ncc(C=O)c1-c1ccc[nH]1 250809583 572533773 /nfs/dbraw/zinc/53/37/73/572533773.db2.gz UQLCAFDXIPDCBY-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN CC[C@@H](O)[C@@H](COC)C(C)C 87501113 572533781 /nfs/dbraw/zinc/53/37/81/572533781.db2.gz MQGFFYRDRPZDKX-DTWKUNHWSA-N 0 0 160.257 1.676 10 0 ADAERN Cc1ccc(C)n1Cc1nc(N)c[nH]1 74274120 572533812 /nfs/dbraw/zinc/53/38/12/572533812.db2.gz GFMVMVFSTZJDLP-UHFFFAOYSA-N 0 0 190.250 1.459 10 0 ADAERN [NH3+]CCCn1[n-]c(C2CCC2)cc1=O 250773558 572533827 /nfs/dbraw/zinc/53/38/27/572533827.db2.gz OHIGAPRJFJRPBB-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN CC[C@](C)(O)C[C@@H](O)COC(C)C 238290881 572533828 /nfs/dbraw/zinc/53/38/28/572533828.db2.gz YQLOASIFKDUDLQ-ZJUUUORDSA-N 0 0 190.283 1.323 10 0 ADAERN CCC(=O)C[C@@H](CC)OC(C)=O 238293387 572533893 /nfs/dbraw/zinc/53/38/93/572533893.db2.gz UJUXKLDERDHZGA-SECBINFHSA-N 0 0 172.224 1.697 10 0 ADAERN CCCCNc1ncc(N)cc1OC 76982584 572533935 /nfs/dbraw/zinc/53/39/35/572533935.db2.gz FKMDBKJWKQIMLO-UHFFFAOYSA-N 0 0 195.266 1.884 10 0 ADAERN CCS[C@H](CO)COC(C)C 238291069 572533945 /nfs/dbraw/zinc/53/39/45/572533945.db2.gz WAMVYPWFJUEHOO-MRVPVSSYSA-N 0 0 178.297 1.525 10 0 ADAERN CC[C@H](c1ccccc1)[C@@H](O)CO 238293380 572533950 /nfs/dbraw/zinc/53/39/50/572533950.db2.gz BUNRTYJVPJYQHL-MNOVXSKESA-N 0 0 180.247 1.533 10 0 ADAERN CC(C)(C)c1cnc2ncc(N)n2c1 74274068 572534039 /nfs/dbraw/zinc/53/40/39/572534039.db2.gz GNDNFEFMWKAHNT-UHFFFAOYSA-N 0 0 190.250 1.609 10 0 ADAERN CCOCCO[C@H](C)[C@H](C)CO 308052641 572534005 /nfs/dbraw/zinc/53/40/05/572534005.db2.gz SQRXYAMFYQWVEC-RKDXNWHRSA-N 0 0 176.256 1.056 10 0 ADAERN COC[C@@H](C(=O)C(C)C)C1CC1 87500711 572534093 /nfs/dbraw/zinc/53/40/93/572534093.db2.gz GZUSYAGLXNSMQM-SECBINFHSA-N 0 0 170.252 1.884 10 0 ADAERN O[C@@H]1CCSC[C@]12CCSC2 74273769 572534101 /nfs/dbraw/zinc/53/41/01/572534101.db2.gz BQVXZKGKUPFOTI-SFYZADRCSA-N 0 0 190.333 1.608 10 0 ADAERN CC[C@H](O)[C@H](COC)C1CC1 87501104 572534142 /nfs/dbraw/zinc/53/41/42/572534142.db2.gz XTJPNBDDVFBKKT-BDAKNGLRSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)(C)c1c[nH]c2nc(N)ncc12 74274111 572534144 /nfs/dbraw/zinc/53/41/44/572534144.db2.gz HEQJOJPRYNZDBN-UHFFFAOYSA-N 0 0 190.250 1.838 10 0 ADAERN NN1CCCC[C@H]1Cc1ccccc1 74273883 572534206 /nfs/dbraw/zinc/53/42/06/572534206.db2.gz TVWNXQJMXAODBE-LBPRGKRZSA-N 0 0 190.290 1.957 10 0 ADAERN O[C@H]1CCSC[C@@]12CCSC2 74273776 572534216 /nfs/dbraw/zinc/53/42/16/572534216.db2.gz BQVXZKGKUPFOTI-JGVFFNPUSA-N 0 0 190.333 1.608 10 0 ADAERN O=C([O-])[C@H]1CCCC[N@@H+]2CCCC[C@@H]12 250802271 572534257 /nfs/dbraw/zinc/53/42/57/572534257.db2.gz BSPGWYHABDWFJJ-UWVGGRQHSA-N 0 0 197.278 1.726 10 0 ADAERN COC[C@@H](C(C)C)[C@@H](O)C(C)C 87501143 572534403 /nfs/dbraw/zinc/53/44/03/572534403.db2.gz HFVGWPQNXPNISN-UWVGGRQHSA-N 0 0 174.284 1.922 10 0 ADAERN CC(C)Cc1cnc2ncc(N)n2c1 74274065 572534430 /nfs/dbraw/zinc/53/44/30/572534430.db2.gz GOEJVAKZONMYEV-UHFFFAOYSA-N 0 0 190.250 1.510 10 0 ADAERN C/C=C/[C@@H](O)C(C)(C)C(=O)OC 90628772 572534444 /nfs/dbraw/zinc/53/44/44/572534444.db2.gz JSALHIFCZIJDKC-WEWAHIQMSA-N 0 0 172.224 1.123 10 0 ADAERN CC[C@H](C(=O)OC)[C@H](C)C(N)=S 238294049 572534448 /nfs/dbraw/zinc/53/44/48/572534448.db2.gz JQCJCJGYIGHLON-WDSKDSINSA-N 0 0 189.280 1.108 10 0 ADAERN O[C@@H]1CCSC[C@@]12CCSC2 74273772 572534449 /nfs/dbraw/zinc/53/44/49/572534449.db2.gz BQVXZKGKUPFOTI-HTQZYQBOSA-N 0 0 190.333 1.608 10 0 ADAERN CCOCc1cnc(C)c(O)c1CO 238296571 572534469 /nfs/dbraw/zinc/53/44/69/572534469.db2.gz HVJLKZJFKXLXCN-UHFFFAOYSA-N 0 0 197.234 1.124 10 0 ADAERN CCOC(=O)C(C)(C)C[C@H](O)CC 238294392 572534493 /nfs/dbraw/zinc/53/44/93/572534493.db2.gz MWAREOVOUFRTOL-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]12 250809574 572534505 /nfs/dbraw/zinc/53/45/05/572534505.db2.gz DBBNPDSKJMFBKZ-LURQLKTLSA-N 0 0 183.251 1.225 10 0 ADAERN COC(=O)C[C@H](C)[C@@H](C)OC 197671122 572534523 /nfs/dbraw/zinc/53/45/23/572534523.db2.gz DWTNYMGLOJQWTO-NKWVEPMBSA-N 0 0 160.213 1.221 10 0 ADAERN Cc1cccc(NC[C@@H](C)CO)c1N 235132608 572534546 /nfs/dbraw/zinc/53/45/46/572534546.db2.gz AISBXWQZWHUOBB-MRVPVSSYSA-N 0 0 194.278 1.618 10 0 ADAERN C/C=C/C(=O)Nc1cc(F)ccc1N 63202142 572534557 /nfs/dbraw/zinc/53/45/57/572534557.db2.gz YETMYFSZEHLYHL-NSCUHMNNSA-N 0 0 194.209 1.923 10 0 ADAERN CC[C@](CC(C)C)(C(C)=O)C(N)=O 238293651 572534582 /nfs/dbraw/zinc/53/45/82/572534582.db2.gz IZXYCYIRJRMHKQ-JTQLQIEISA-N 0 0 185.267 1.503 10 0 ADAERN Nc1ccc(F)cc1N1CCOC1=O 63209400 572534598 /nfs/dbraw/zinc/53/45/98/572534598.db2.gz AZZCBEFMMCNHNQ-UHFFFAOYSA-N 0 0 196.181 1.365 10 0 ADAERN [NH3+][C@@H]1CC[C@@]2(C(=O)[O-])CCCC[C@@H]2C1 250807698 572534613 /nfs/dbraw/zinc/53/46/13/572534613.db2.gz CTUVJPLBSPHRSL-KKZNHRDASA-N 0 0 197.278 1.759 10 0 ADAERN COC[C@H](C(C)C)[C@H](O)C(C)C 87501135 572534615 /nfs/dbraw/zinc/53/46/15/572534615.db2.gz HFVGWPQNXPNISN-NXEZZACHSA-N 0 0 174.284 1.922 10 0 ADAERN CCOCCO[C@@H](C)[C@H](C)CO 308052627 572534640 /nfs/dbraw/zinc/53/46/40/572534640.db2.gz SQRXYAMFYQWVEC-BDAKNGLRSA-N 0 0 176.256 1.056 10 0 ADAERN Cc1ccc(N[C@@H](C)CO)c(C[NH3+])c1 235135477 572534654 /nfs/dbraw/zinc/53/46/54/572534654.db2.gz OSSDRMDKZJZTJY-VIFPVBQESA-N 0 0 194.278 1.246 10 0 ADAERN CC[C@@H](O)[C@H](COC)C1CC1 87501107 572534667 /nfs/dbraw/zinc/53/46/67/572534667.db2.gz XTJPNBDDVFBKKT-RKDXNWHRSA-N 0 0 158.241 1.430 10 0 ADAERN CCC[C@@H](C)C[C@H](O)C(=O)OCC 84379571 572534668 /nfs/dbraw/zinc/53/46/68/572534668.db2.gz DQIURCLSGNXUFZ-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN COC[C@H](C(C)C)[C@@H](O)C(C)C 87501141 572534672 /nfs/dbraw/zinc/53/46/72/572534672.db2.gz HFVGWPQNXPNISN-ZJUUUORDSA-N 0 0 174.284 1.922 10 0 ADAERN Nc1noc(-c2cc3c([nH]2)CCC3)n1 74274722 572535293 /nfs/dbraw/zinc/53/52/93/572535293.db2.gz NWZMWNMJMMZNIY-UHFFFAOYSA-N 0 0 190.206 1.136 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]12 250809578 572534710 /nfs/dbraw/zinc/53/47/10/572534710.db2.gz DBBNPDSKJMFBKZ-RYPBNFRJSA-N 0 0 183.251 1.225 10 0 ADAERN CN[C@H](C(=O)OC)C1CCCCCC1 84329805 572534715 /nfs/dbraw/zinc/53/47/15/572534715.db2.gz NHZBRZDBWCIRFF-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN O=C([O-])C[C@@H]1C[NH2+][C@@H]2CCCCC[C@H]12 250803829 572534721 /nfs/dbraw/zinc/53/47/21/572534721.db2.gz BZTZQGXOIWGBFY-OPRDCNLKSA-N 0 0 197.278 1.629 10 0 ADAERN COC(=O)CNCC1CCCCCC1 84328114 572534728 /nfs/dbraw/zinc/53/47/28/572534728.db2.gz OVXHWDLPSGZSDZ-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@@H](CC(=O)[O-])C1 84381042 572534740 /nfs/dbraw/zinc/53/47/40/572534740.db2.gz RESYSCRTTDZASU-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[NH2+][C@@H]1C[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]12 250778052 572534741 /nfs/dbraw/zinc/53/47/41/572534741.db2.gz WSZUPPZXQGJCKO-LURQLKTLSA-N 0 0 183.251 1.095 10 0 ADAERN O=C([O-])C[C@@H]1C[NH2+][C@H]2CCCCC[C@@H]12 250803831 572534765 /nfs/dbraw/zinc/53/47/65/572534765.db2.gz BZTZQGXOIWGBFY-UTLUCORTSA-N 0 0 197.278 1.629 10 0 ADAERN CCOC(=O)[C@@H](O)CCC(C)(C)C 84379570 572534780 /nfs/dbraw/zinc/53/47/80/572534780.db2.gz JXPHAIGPPWSSBV-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN C=C=C(/C=C\C)[C@H](C)O 307791874 572534802 /nfs/dbraw/zinc/53/48/02/572534802.db2.gz BURVHDYAJPVNQA-NGAMADIESA-N 0 0 124.183 1.655 10 0 ADAERN CCOC(=O)[C@@H](C)C[C@@H]1C=CC=C[NH2+]1 238296014 572534810 /nfs/dbraw/zinc/53/48/10/572534810.db2.gz FBASRKUNVQNBEK-UWVGGRQHSA-N 0 0 195.262 1.617 10 0 ADAERN CC(C)(C)C[N@@H+]1CC[C@H](CC(=O)[O-])C1 84381010 572534864 /nfs/dbraw/zinc/53/48/64/572534864.db2.gz SYSPJGVVYOYSJX-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CCSc1cc(CO)nc(CO)c1 238296074 572534891 /nfs/dbraw/zinc/53/48/91/572534891.db2.gz MIOZDUZULWTPJA-UHFFFAOYSA-N 0 0 199.275 1.178 10 0 ADAERN CCOC(=O)[C@@H](C)C[C@H]1C=CC=C[NH2+]1 238295960 572536186 /nfs/dbraw/zinc/53/61/86/572536186.db2.gz FBASRKUNVQNBEK-VHSXEESVSA-N 0 0 195.262 1.617 10 0 ADAERN O=C([O-])C[C@@H]1CC[N@H+](CCC2CC2)C1 84380653 572534957 /nfs/dbraw/zinc/53/49/57/572534957.db2.gz HBHTVTZLJMJLLC-JTQLQIEISA-N 0 0 197.278 1.583 10 0 ADAERN C[C@@H](C1CC1)[N@@H+]1CC[C@H](CC(=O)[O-])C1 84380993 572534964 /nfs/dbraw/zinc/53/49/64/572534964.db2.gz COBPABBOUJDJQJ-DTWKUNHWSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1cc(Cc2c[nH]cc2C=O)no1 74275088 572535019 /nfs/dbraw/zinc/53/50/19/572535019.db2.gz UXVQBVGAAIQDCO-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN CCC(O)(CC)[C@H](N)c1ncco1 74283464 572535042 /nfs/dbraw/zinc/53/50/42/572535042.db2.gz WTHCLCLDXPUXJP-SSDOTTSWSA-N 0 0 184.239 1.226 10 0 ADAERN CC[C@H](C(C)=O)[C@H](C)OC(C)=O 238294485 572535094 /nfs/dbraw/zinc/53/50/94/572535094.db2.gz VLJODTIJVVOLSJ-IONNQARKSA-N 0 0 172.224 1.553 10 0 ADAERN CCC[C@H](C)C[C@@H](O)C(=O)OCC 84379574 572535100 /nfs/dbraw/zinc/53/51/00/572535100.db2.gz DQIURCLSGNXUFZ-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN C/C=C\[C@@H](O)C(C)(C)C(=O)OC 90628771 572535110 /nfs/dbraw/zinc/53/51/10/572535110.db2.gz JSALHIFCZIJDKC-KXTMECRCSA-N 0 0 172.224 1.123 10 0 ADAERN CN(C)C(=O)/C=C/[C@@H](O)C(C)(C)C 238296176 572535124 /nfs/dbraw/zinc/53/51/24/572535124.db2.gz IIQIHQUUKGKLOC-HYDMIIDASA-N 0 0 185.267 1.038 10 0 ADAERN CN(C)C(=O)/C=C/[C@H](O)C(C)(C)C 238296183 572535134 /nfs/dbraw/zinc/53/51/34/572535134.db2.gz IIQIHQUUKGKLOC-CZEYKFRCSA-N 0 0 185.267 1.038 10 0 ADAERN Cc1n[nH]cc1-n1c(C)cnc1C=O 74274753 572535148 /nfs/dbraw/zinc/53/51/48/572535148.db2.gz LEUFWXVMJSQJDQ-UHFFFAOYSA-N 0 0 190.206 1.025 10 0 ADAERN C[C@H](C1CC1)[N@@H+]1CC[C@H](CC(=O)[O-])C1 84380994 572535150 /nfs/dbraw/zinc/53/51/50/572535150.db2.gz COBPABBOUJDJQJ-RKDXNWHRSA-N 0 0 197.278 1.582 10 0 ADAERN CCOC(=O)c1ccc(OC2CC2)o1 238293886 572535201 /nfs/dbraw/zinc/53/52/01/572535201.db2.gz JAOLVQRIFJKALH-UHFFFAOYSA-N 0 0 196.202 1.998 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 250809584 572535204 /nfs/dbraw/zinc/53/52/04/572535204.db2.gz DBBNPDSKJMFBKZ-UYXSQOIJSA-N 0 0 183.251 1.225 10 0 ADAERN CCOC(=O)/C=C/SC(N)=S 238294302 572535205 /nfs/dbraw/zinc/53/52/05/572535205.db2.gz YORCGCAQIPQLIK-ONEGZZNKSA-N 0 0 191.277 1.040 10 0 ADAERN Nc1nsnc1-c1cc[nH]c1 250772660 572535207 /nfs/dbraw/zinc/53/52/07/572535207.db2.gz AVOICBQVONWFSE-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN C=C=C(/C=C\C)[C@@H](C)O 307791873 572535209 /nfs/dbraw/zinc/53/52/09/572535209.db2.gz BURVHDYAJPVNQA-FXXDRWHHSA-N 0 0 124.183 1.655 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH2+]C1CCC1 84308175 572535258 /nfs/dbraw/zinc/53/52/58/572535258.db2.gz UBTUNAUUENAOHZ-PSASIEDQSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1n[nH]c(C)c1-n1ccnc1C=O 74274758 572535259 /nfs/dbraw/zinc/53/52/59/572535259.db2.gz SRFHSCFNQXIGPN-UHFFFAOYSA-N 0 0 190.206 1.025 10 0 ADAERN CC[C@](C)(O)[C@@H](N)c1nc(C)co1 74283454 572535224 /nfs/dbraw/zinc/53/52/24/572535224.db2.gz UXXFEZZKABHQFL-CBAPKCEASA-N 0 0 184.239 1.144 10 0 ADAERN CCOCc1c(C)oc(C)c1CO 238294036 572535232 /nfs/dbraw/zinc/53/52/32/572535232.db2.gz FBMJHNIUOSDXBE-UHFFFAOYSA-N 0 0 184.235 1.925 10 0 ADAERN O=C([O-])C[C@H]1CC[N@H+](CC2CC2)C1 84380676 572535235 /nfs/dbraw/zinc/53/52/35/572535235.db2.gz DFBYYPQLEVCQKP-SECBINFHSA-N 0 0 183.251 1.193 10 0 ADAERN CCOC(=O)[C@@H](O)C[C@H](C)CC 84379531 572535324 /nfs/dbraw/zinc/53/53/24/572535324.db2.gz AVHDEZOUUPBCQJ-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]1(COC)C1CC1 87501602 572535327 /nfs/dbraw/zinc/53/53/27/572535327.db2.gz MJNGEGWFAUFGKS-ONGXEEELSA-N 0 0 197.278 1.328 10 0 ADAERN COCc1cc2ccc(C=O)cn2n1 74274977 572535341 /nfs/dbraw/zinc/53/53/41/572535341.db2.gz FYPQBWSOGXAPKN-UHFFFAOYSA-N 0 0 190.202 1.293 10 0 ADAERN Cc1cc(C=O)oc1-n1ccnc1C 74275063 572535457 /nfs/dbraw/zinc/53/54/57/572535457.db2.gz CQTDKJOTXVZNLS-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN C/C=C\[C@H](O)C(C)(C)C(=O)OC 90628770 572535461 /nfs/dbraw/zinc/53/54/61/572535461.db2.gz JSALHIFCZIJDKC-RBSILHGTSA-N 0 0 172.224 1.123 10 0 ADAERN CC[C@@H](C)[NH2+]CC(=O)c1ccc[nH]1 238293703 572535494 /nfs/dbraw/zinc/53/54/94/572535494.db2.gz PXOLMRDXCVGWSI-MRVPVSSYSA-N 0 0 180.251 1.586 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]1C[NH2+]C1CCC1 84308169 572535498 /nfs/dbraw/zinc/53/54/98/572535498.db2.gz UBTUNAUUENAOHZ-WPRPVWTQSA-N 0 0 197.278 1.629 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]1(COC)C(C)C 87501597 572535504 /nfs/dbraw/zinc/53/55/04/572535504.db2.gz LEBSNVSSFGAJHR-GXSJLCMTSA-N 0 0 199.294 1.574 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]1C[NH2+]C1CCC1 84308171 572535507 /nfs/dbraw/zinc/53/55/07/572535507.db2.gz UBTUNAUUENAOHZ-SCZZXKLOSA-N 0 0 197.278 1.629 10 0 ADAERN CCC[C@H](C)C[C@H](O)C(=O)OCC 84379572 572535554 /nfs/dbraw/zinc/53/55/54/572535554.db2.gz DQIURCLSGNXUFZ-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)[C@H](O)CCC(C)(C)C 84379569 572535520 /nfs/dbraw/zinc/53/55/20/572535520.db2.gz JXPHAIGPPWSSBV-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN Cc1cnc(Cc2c[nH]cc2C=O)o1 74275085 572535585 /nfs/dbraw/zinc/53/55/85/572535585.db2.gz SRQBMCPPGWQHCU-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Nc1nc(COC2CC2)cs1 713278146 572535601 /nfs/dbraw/zinc/53/56/01/572535601.db2.gz UQJFYKMXPRCRQZ-UHFFFAOYSA-N 0 0 170.237 1.404 10 0 ADAERN CCOCc1cc(C)ncc1C[NH3+] 238294425 572535611 /nfs/dbraw/zinc/53/56/11/572535611.db2.gz ALLFIRKAABDANY-UHFFFAOYSA-N 0 0 180.251 1.385 10 0 ADAERN CC[C@H]1NC(=O)C[C@]1(COC)C1CC1 87501599 572535618 /nfs/dbraw/zinc/53/56/18/572535618.db2.gz MJNGEGWFAUFGKS-KOLCDFICSA-N 0 0 197.278 1.328 10 0 ADAERN COc1ccc2n[nH]c(C=O)c2c1C 74275004 572535634 /nfs/dbraw/zinc/53/56/34/572535634.db2.gz GCCSJNSOCMLBGH-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN CCOC(=O)[C@H](O)C[C@H](C)CC 84379533 572535642 /nfs/dbraw/zinc/53/56/42/572535642.db2.gz AVHDEZOUUPBCQJ-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN CCc1occ(C=O)c1C(=O)OC 238293895 572535713 /nfs/dbraw/zinc/53/57/13/572535713.db2.gz ZJHIEMMQGGFOPI-UHFFFAOYSA-N 0 0 182.175 1.441 10 0 ADAERN C[NH2+][C@@H]1C[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 250778059 572535717 /nfs/dbraw/zinc/53/57/17/572535717.db2.gz WSZUPPZXQGJCKO-UYXSQOIJSA-N 0 0 183.251 1.095 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 250809589 572535856 /nfs/dbraw/zinc/53/58/56/572535856.db2.gz DBBNPDSKJMFBKZ-XSPKLOCKSA-N 0 0 183.251 1.225 10 0 ADAERN Cc1[nH]nc(-c2n[nH]cc2C=O)c1C 74274885 572535861 /nfs/dbraw/zinc/53/58/61/572535861.db2.gz ISURGFMMZJKOEK-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN Cc1cnnc(N[C@H](C)[C@@H](C)CO)c1 235137177 572535863 /nfs/dbraw/zinc/53/58/63/572535863.db2.gz DIWJHMXHKWIEAK-DTWKUNHWSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1n[nH]c(C)c1-c1n[nH]cc1C=O 74274888 572535887 /nfs/dbraw/zinc/53/58/87/572535887.db2.gz FSTHXZLDYFMEEV-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN CC1CCC(C[C@H](C[NH3+])C(=O)[O-])CC1 84331019 572535900 /nfs/dbraw/zinc/53/59/00/572535900.db2.gz CTHMUHSRTGAKEI-UDNWOFFPSA-N 0 0 199.294 1.862 10 0 ADAERN Cc1nc(-c2nc(C)c(C=O)[nH]2)c[nH]1 74274847 572535904 /nfs/dbraw/zinc/53/59/04/572535904.db2.gz WVEFBBNBUMNVNQ-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN Cn1cccc1C(=O)CC[NH+](C)C 238296196 572535908 /nfs/dbraw/zinc/53/59/08/572535908.db2.gz ACCHGQCWTLPJAT-UHFFFAOYSA-N 0 0 180.251 1.160 10 0 ADAERN CC[C@@](C)(NC(=O)C(C)C)C(C)=O 238294654 572535946 /nfs/dbraw/zinc/53/59/46/572535946.db2.gz WWJQBGKVPVYXSZ-SNVBAGLBSA-N 0 0 185.267 1.516 10 0 ADAERN C=CC(=O)OC[C@@H](O)/C=C/C=C\C 90628814 572535955 /nfs/dbraw/zinc/53/59/55/572535955.db2.gz AMPQKJOOCHWHGV-OTGDBAEDSA-N 0 0 182.219 1.209 10 0 ADAERN Cc1ncoc1Cc1c[nH]cc1C=O 74275093 572535957 /nfs/dbraw/zinc/53/59/57/572535957.db2.gz BRPCRAICSVJLNT-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN CN[C@@H](C(=O)OC)C1CCCCCC1 84329807 572537111 /nfs/dbraw/zinc/53/71/11/572537111.db2.gz NHZBRZDBWCIRFF-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN NCC(=O)c1c[nH]c2cccc(O)c12 74274989 572536023 /nfs/dbraw/zinc/53/60/23/572536023.db2.gz LALPVSYNBNSJAA-UHFFFAOYSA-N 0 0 190.202 1.015 10 0 ADAERN Cc1coc(Cc2c[nH]cc2C=O)n1 74275095 572536042 /nfs/dbraw/zinc/53/60/42/572536042.db2.gz AKIUKDYVAQEQGW-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Cc1c[nH]nc1-c1nc(C)c(C=O)[nH]1 74274845 572536062 /nfs/dbraw/zinc/53/60/62/572536062.db2.gz BOQPGLBXNNNSLM-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN Cc1cc(-c2oncc2N)nc(C)n1 74274767 572536607 /nfs/dbraw/zinc/53/66/07/572536607.db2.gz FLPDIFPUAHFKJC-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Nc1c[nH]c2ccc3c(c12)OCCO3 74275042 572536102 /nfs/dbraw/zinc/53/61/02/572536102.db2.gz YNGRNYILRSTMJG-UHFFFAOYSA-N 0 0 190.202 1.521 10 0 ADAERN Cc1cc(C)n(-c2ccc(C=O)o2)n1 74275115 572536107 /nfs/dbraw/zinc/53/61/07/572536107.db2.gz QBDLPJJLBLZOCD-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN Cc1coc(-c2cc(N)nc(C)n2)n1 74274656 572536116 /nfs/dbraw/zinc/53/61/16/572536116.db2.gz OCABOXNIYLZTQA-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CCOC(=O)C(C)(C)C/C=C/CO 238294413 572536117 /nfs/dbraw/zinc/53/61/17/572536117.db2.gz ANVMLRILLZLZMB-AATRIKPKSA-N 0 0 186.251 1.514 10 0 ADAERN Cc1nc(C)c(-c2ccc(N)nn2)o1 74274891 572536120 /nfs/dbraw/zinc/53/61/20/572536120.db2.gz BSEQPHUNFCXIRQ-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CCO[C@H]1CCC=C[C@H]1CC(N)=O 238293529 572536127 /nfs/dbraw/zinc/53/61/27/572536127.db2.gz PXVHJBJDNLAMEU-IUCAKERBSA-N 0 0 183.251 1.233 10 0 ADAERN CC(C)[NH2+]C1(CC(=O)[O-])CCC1 84332047 572536190 /nfs/dbraw/zinc/53/61/90/572536190.db2.gz JTKBQNAACPSKFT-UHFFFAOYSA-N 0 0 171.240 1.382 10 0 ADAERN Cc1onc(-c2ccccc2O)c1N 74274979 572536137 /nfs/dbraw/zinc/53/61/37/572536137.db2.gz NCAWCZRKDUJHMB-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C/C=C/C[N@@H+]1CC[C@@H](CC(=O)[O-])C1 84380825 572536166 /nfs/dbraw/zinc/53/61/66/572536166.db2.gz MUIUQSLUQGAVAB-HPOULIHZSA-N 0 0 183.251 1.359 10 0 ADAERN CCC[C@@H](C)C[C@@H](O)C(=O)OCC 84379573 572536174 /nfs/dbraw/zinc/53/61/74/572536174.db2.gz DQIURCLSGNXUFZ-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN Cc1cc(C(=O)CC[NH+](C)C)c(C)[nH]1 238296071 572536212 /nfs/dbraw/zinc/53/62/12/572536212.db2.gz STVSXQRYYBHOJY-UHFFFAOYSA-N 0 0 194.278 1.766 10 0 ADAERN Nc1ccccc1CCn1cnnc1 74277125 572536214 /nfs/dbraw/zinc/53/62/14/572536214.db2.gz ALYGVIUMIVAALT-UHFFFAOYSA-N 0 0 188.234 1.103 10 0 ADAERN CC(C)CN=[S@](N)(=O)C(C)(C)C 404568407 572536223 /nfs/dbraw/zinc/53/62/23/572536223.db2.gz CXONNMRPQBPLHM-LBPRGKRZSA-N 0 0 192.328 1.783 10 0 ADAERN N#Cc1cc2c(nc1C=O)CSC2 74274488 572536238 /nfs/dbraw/zinc/53/62/38/572536238.db2.gz VMTGNTQNHCIBIH-UHFFFAOYSA-N 0 0 190.227 1.513 10 0 ADAERN Cc1oc(C=O)cc1-n1ccnc1C 74275062 572536258 /nfs/dbraw/zinc/53/62/58/572536258.db2.gz AQCZZXJUJYTEIM-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN COC(=O)[C@H](N)CC1CCC(C)CC1 84330928 572536271 /nfs/dbraw/zinc/53/62/71/572536271.db2.gz ZVQFUDKIXNRBGJ-UDNWOFFPSA-N 0 0 199.294 1.703 10 0 ADAERN Nc1nnc(-c2cc3c([nH]2)CCC3)o1 74274724 572536298 /nfs/dbraw/zinc/53/62/98/572536298.db2.gz XAQPPZCKABAFCA-UHFFFAOYSA-N 0 0 190.206 1.136 10 0 ADAERN COc1ccccc1-c1nocc1N 74274983 572536336 /nfs/dbraw/zinc/53/63/36/572536336.db2.gz KTWUOULIGRIAKE-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN Cc1cc(-c2cnncc2N)[nH]c1C 74277145 572536353 /nfs/dbraw/zinc/53/63/53/572536353.db2.gz YVZRSPUFCWOCCP-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN COc1ccccc1-c1oncc1N 74275069 572536389 /nfs/dbraw/zinc/53/63/89/572536389.db2.gz WUMIBQANPWKCAH-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN CC(C)[C@@H](C)[N@@H+]1CC[C@H](CC(=O)[O-])C1 84380996 572536784 /nfs/dbraw/zinc/53/67/84/572536784.db2.gz QPOYFHDADMPYIT-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN CS[C@H]1CCC[C@@H]1[NH2+]C1COC1 235138717 572536421 /nfs/dbraw/zinc/53/64/21/572536421.db2.gz IIBQFBSBMXQKLW-IUCAKERBSA-N 0 0 187.308 1.259 10 0 ADAERN CCCOCc1noc(Cl)n1 53750030 572536445 /nfs/dbraw/zinc/53/64/45/572536445.db2.gz GKHZKCDRFQSMBM-UHFFFAOYSA-N 0 0 176.603 1.650 10 0 ADAERN Cn1c(Cc2ccco2)cnc1C=O 74275059 572536466 /nfs/dbraw/zinc/53/64/66/572536466.db2.gz KRHCELZYSGVKOR-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CCc1nc(-c2ccc(N)nc2)n[nH]1 63216285 572536467 /nfs/dbraw/zinc/53/64/67/572536467.db2.gz GMNVUSIWMJHSLT-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN Cc1ccc(N)cc1NCCCO 53734832 572536484 /nfs/dbraw/zinc/53/64/84/572536484.db2.gz NQEAJVNYNQTAPQ-UHFFFAOYSA-N 0 0 180.251 1.372 10 0 ADAERN CCOCc1cc(CO)c(C)o1 238294540 572536500 /nfs/dbraw/zinc/53/65/00/572536500.db2.gz XPIZJPLTWKRRNY-UHFFFAOYSA-N 0 0 170.208 1.617 10 0 ADAERN CCOCCO[C@@H](C)[C@@H](C)CO 308052639 572536525 /nfs/dbraw/zinc/53/65/25/572536525.db2.gz SQRXYAMFYQWVEC-IUCAKERBSA-N 0 0 176.256 1.056 10 0 ADAERN C[C@@H](CO)COCC1CC1 235136717 572536530 /nfs/dbraw/zinc/53/65/30/572536530.db2.gz DVFBSSJWJUERDN-ZETCQYMHSA-N 0 0 144.214 1.041 10 0 ADAERN CCc1occ(CO)c1C(=O)OC 238293915 572536537 /nfs/dbraw/zinc/53/65/37/572536537.db2.gz AYZFDZWAGUSPII-UHFFFAOYSA-N 0 0 184.191 1.121 10 0 ADAERN C/C=C/C[NH2+]C[C@@H]1CCC[C@@H]1C(=O)[O-] 84308053 572536547 /nfs/dbraw/zinc/53/65/47/572536547.db2.gz ROGPEKILOGRYAT-AQHVTNBVSA-N 0 0 197.278 1.653 10 0 ADAERN CCOC(=O)c1[nH]c(C)cc1OC 238295997 572536553 /nfs/dbraw/zinc/53/65/53/572536553.db2.gz HIYGJMQLRNDMGR-UHFFFAOYSA-N 0 0 183.207 1.508 10 0 ADAERN CCCOCc1noc(NC)n1 53750122 572536932 /nfs/dbraw/zinc/53/69/32/572536932.db2.gz ZWRDBDSMEIQYIX-UHFFFAOYSA-N 0 0 171.200 1.038 10 0 ADAERN COC(=O)/C=C\c1ccc(C)o1 90185633 572536558 /nfs/dbraw/zinc/53/65/58/572536558.db2.gz GKCKXICSLSTPSJ-WAYWQWQTSA-N 0 0 166.176 1.774 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]1C[NH2+]C1CCC1 84308172 572536561 /nfs/dbraw/zinc/53/65/61/572536561.db2.gz UBTUNAUUENAOHZ-WCBMZHEXSA-N 0 0 197.278 1.629 10 0 ADAERN O=C([O-])C[C@@H]1C[NH2+][C@H]2CCCCC[C@H]12 250803825 572536588 /nfs/dbraw/zinc/53/65/88/572536588.db2.gz BZTZQGXOIWGBFY-BBBLOLIVSA-N 0 0 197.278 1.629 10 0 ADAERN CCOC(=O)c1[nH]c(CO)c(C)c1C 238296217 572536589 /nfs/dbraw/zinc/53/65/89/572536589.db2.gz XAUWISKCGZKVCH-UHFFFAOYSA-N 0 0 197.234 1.301 10 0 ADAERN Cn1ncc(C=O)c1-c1cc[nH]c1 250800210 572536598 /nfs/dbraw/zinc/53/65/98/572536598.db2.gz CZKNMXWCOSIIKE-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN CCOC(=O)/C=C/CC/C=C/[C@@H](C)O 238293722 572536604 /nfs/dbraw/zinc/53/66/04/572536604.db2.gz YBHVUGSFLGPWBK-NYUKUXESSA-N 0 0 198.262 1.823 10 0 ADAERN CCC(O)(CC)[C@@H](N)c1ncco1 74283467 572536613 /nfs/dbraw/zinc/53/66/13/572536613.db2.gz WTHCLCLDXPUXJP-ZETCQYMHSA-N 0 0 184.239 1.226 10 0 ADAERN Cc1nc(-c2ccc(N)nn2)oc1C 74274893 572536626 /nfs/dbraw/zinc/53/66/26/572536626.db2.gz CVQRRDDKUIEYSR-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN N#Cc1cc2c(nc1C=O)CCS2 74274490 572536634 /nfs/dbraw/zinc/53/66/34/572536634.db2.gz RZOFKDATGLNSIX-UHFFFAOYSA-N 0 0 190.227 1.414 10 0 ADAERN Cc1cc(-c2nc(N)ncc2N)co1 74274711 572536637 /nfs/dbraw/zinc/53/66/37/572536637.db2.gz HETIEOJNWDMLSQ-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN CSCCCCCNC=O 235131991 572536645 /nfs/dbraw/zinc/53/66/45/572536645.db2.gz JDAHQILWVXXTKI-UHFFFAOYSA-N 0 0 161.270 1.266 10 0 ADAERN Cn1c(C2CC2)nc2coc(C=O)c21 74274998 572536651 /nfs/dbraw/zinc/53/66/51/572536651.db2.gz PWIOJPYHIFKYQB-UHFFFAOYSA-N 0 0 190.202 1.856 10 0 ADAERN CCOC(=O)c1[nH]c(COC)cc1C 238296273 572536652 /nfs/dbraw/zinc/53/66/52/572536652.db2.gz UJCILEOZPREOQK-UHFFFAOYSA-N 0 0 197.234 1.646 10 0 ADAERN CCOC(=O)/C=C/CC/C=C/[C@H](C)O 238293731 572536661 /nfs/dbraw/zinc/53/66/61/572536661.db2.gz YBHVUGSFLGPWBK-LPCOJOSNSA-N 0 0 198.262 1.823 10 0 ADAERN CCc1ccc([Si](C)(C)CCO)o1 238294115 572536667 /nfs/dbraw/zinc/53/66/67/572536667.db2.gz XHMGCGODLNGTQQ-UHFFFAOYSA-N 0 0 198.338 1.750 10 0 ADAERN Nn1ccc2c3c(ccc21)OCCO3 74274975 572536684 /nfs/dbraw/zinc/53/66/84/572536684.db2.gz ULXUWBCZAJBDCT-UHFFFAOYSA-N 0 0 190.202 1.126 10 0 ADAERN Cc1cc(-n2nccc2C)oc1C=O 74275112 572536686 /nfs/dbraw/zinc/53/66/86/572536686.db2.gz FOMPBQZMTINAMH-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN CCc1c(CON)cccc1OC 238293921 572536708 /nfs/dbraw/zinc/53/67/08/572536708.db2.gz YHCDTNWAZCQPTH-UHFFFAOYSA-N 0 0 181.235 1.648 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]1(COC)C(C)C 87501591 572536724 /nfs/dbraw/zinc/53/67/24/572536724.db2.gz LEBSNVSSFGAJHR-ONGXEEELSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1ccc(N)cc1SCCO 53735707 572536727 /nfs/dbraw/zinc/53/67/27/572536727.db2.gz HCEAWHGXRPQCHI-UHFFFAOYSA-N 0 0 183.276 1.662 10 0 ADAERN CCOC(=O)[C@H](O)CC1CCCC1 84379535 572536744 /nfs/dbraw/zinc/53/67/44/572536744.db2.gz OFCMDJUMZRRLOM-SECBINFHSA-N 0 0 186.251 1.491 10 0 ADAERN CCOC(=O)[C@@H](O)CC1CCCC1 84379536 572536755 /nfs/dbraw/zinc/53/67/55/572536755.db2.gz OFCMDJUMZRRLOM-VIFPVBQESA-N 0 0 186.251 1.491 10 0 ADAERN CC[C@H]1NC(=O)C[C@@]1(COC)C(C)C 87501595 572536765 /nfs/dbraw/zinc/53/67/65/572536765.db2.gz LEBSNVSSFGAJHR-MWLCHTKSSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)COC(=O)c1ccc(N)nc1 63216626 572536796 /nfs/dbraw/zinc/53/67/96/572536796.db2.gz JRPBRAKAZSNHLJ-UHFFFAOYSA-N 0 0 194.234 1.477 10 0 ADAERN Cc1ncc(N)c(-c2cc(C)on2)n1 74274707 572536806 /nfs/dbraw/zinc/53/68/06/572536806.db2.gz AZOHZKPXXOCVTI-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1cc(-n2ccnc2C)oc1C=O 74275066 572536820 /nfs/dbraw/zinc/53/68/20/572536820.db2.gz KZXCRPOAODFGKF-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@H](CC(=O)[O-])C1 84381040 572536828 /nfs/dbraw/zinc/53/68/28/572536828.db2.gz RESYSCRTTDZASU-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCOCc1cc(CO)oc1C 238294586 572536864 /nfs/dbraw/zinc/53/68/64/572536864.db2.gz SJVOBZVALYUDID-UHFFFAOYSA-N 0 0 170.208 1.617 10 0 ADAERN CC1CCC(C[C@@H](C[NH3+])C(=O)[O-])CC1 84331016 572536882 /nfs/dbraw/zinc/53/68/82/572536882.db2.gz CTHMUHSRTGAKEI-RTBKNWGFSA-N 0 0 199.294 1.862 10 0 ADAERN CC(C)(C)C[N@@H+]1CC[C@@H](CC(=O)[O-])C1 84381011 572536893 /nfs/dbraw/zinc/53/68/93/572536893.db2.gz SYSPJGVVYOYSJX-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CCc1c(CO)[nH]c(CO)c1CC 238293708 572536920 /nfs/dbraw/zinc/53/69/20/572536920.db2.gz IYBAMLLXLKPPDU-UHFFFAOYSA-N 0 0 183.251 1.124 10 0 ADAERN Cc1nc(C)c(-c2cnncc2N)o1 74274684 572536977 /nfs/dbraw/zinc/53/69/77/572536977.db2.gz SFVOXQCWXGVDAZ-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN C/C=C/C[NH2+]C[C@@H]1CCC[C@H]1C(=O)[O-] 84308057 572536981 /nfs/dbraw/zinc/53/69/81/572536981.db2.gz ROGPEKILOGRYAT-MDCNRGEUSA-N 0 0 197.278 1.653 10 0 ADAERN Cc1ccn(-c2oc(C=O)cc2C)n1 74275121 572536983 /nfs/dbraw/zinc/53/69/83/572536983.db2.gz SGESGYYKMWVLGJ-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CC[C@@H]2CCC[C@@H]2C1 250983886 572536993 /nfs/dbraw/zinc/53/69/93/572536993.db2.gz BQPFPTIGDCECBS-QXFUBDJGSA-N 0 0 183.251 1.369 10 0 ADAERN CCOC(=O)/C=C/C=C/C(C)=C/CO 238293575 572537052 /nfs/dbraw/zinc/53/70/52/572537052.db2.gz CLPBOPCYHMZLKH-KJVLDDSZSA-N 0 0 196.246 1.601 10 0 ADAERN COC(=O)[C@@H](N)CC1CCC(C)CC1 84330926 572537055 /nfs/dbraw/zinc/53/70/55/572537055.db2.gz ZVQFUDKIXNRBGJ-RTBKNWGFSA-N 0 0 199.294 1.703 10 0 ADAERN CC[C@@](C)([NH3+])Oc1cccc(C=O)c1 238293638 572536935 /nfs/dbraw/zinc/53/69/35/572536935.db2.gz QJTAMVGHGJFZOC-NSHDSACASA-N 0 0 193.246 1.963 10 0 ADAERN Cc1cccc(-c2o[nH]c(=O)c2N)c1 74275077 572536942 /nfs/dbraw/zinc/53/69/42/572536942.db2.gz YJNUXLLKZXEKPP-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C/C=C/C[N@@H+]1CC[C@H](CC(=O)[O-])C1 84380823 572537096 /nfs/dbraw/zinc/53/70/96/572537096.db2.gz MUIUQSLUQGAVAB-GKQMSVHHSA-N 0 0 183.251 1.359 10 0 ADAERN COCCNc1nc(C(C)(C)C)no1 53751074 572537097 /nfs/dbraw/zinc/53/70/97/572537097.db2.gz HGYASAONEGABGX-UHFFFAOYSA-N 0 0 199.254 1.425 10 0 ADAERN CCOC(=O)[C@H](O)C[C@@H](C)CC 84379534 572537117 /nfs/dbraw/zinc/53/71/17/572537117.db2.gz AVHDEZOUUPBCQJ-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)[C@@H](O)C[C@@H](C)CC 84379532 572537137 /nfs/dbraw/zinc/53/71/37/572537137.db2.gz AVHDEZOUUPBCQJ-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN CC(C)CN=[S@@](N)(=O)C(C)(C)C 404568406 572537139 /nfs/dbraw/zinc/53/71/39/572537139.db2.gz CXONNMRPQBPLHM-GFCCVEGCSA-N 0 0 192.328 1.783 10 0 ADAERN Cc1ncc(N)c(-c2ncoc2C)n1 74274713 572537283 /nfs/dbraw/zinc/53/72/83/572537283.db2.gz WBQUWCAUKQQMDK-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1cc(-c2nonc2N)cc(C)n1 74274866 572537285 /nfs/dbraw/zinc/53/72/85/572537285.db2.gz FRGQFDIJSRUCQK-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN O=C(NCCCO)Oc1ccccc1 35233711 572537262 /nfs/dbraw/zinc/53/72/62/572537262.db2.gz ZXBWMMVKIGCQMY-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN CCOCc1cc(C)ncc1CO 238294440 572537265 /nfs/dbraw/zinc/53/72/65/572537265.db2.gz AEFTUALLFUODSA-UHFFFAOYSA-N 0 0 181.235 1.419 10 0 ADAERN CCc1c(CO)cccc1C(=O)OC 238293776 572537277 /nfs/dbraw/zinc/53/72/77/572537277.db2.gz UWXFPQJUIZQZGC-UHFFFAOYSA-N 0 0 194.230 1.528 10 0 ADAERN Nc1c(Cc2ccccc2)o[nH]c1=O 74275079 572537289 /nfs/dbraw/zinc/53/72/89/572537289.db2.gz LSJYZOBAKQRDQW-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN Cc1ccoc1-c1nn(C)cc1C=O 74275002 572537334 /nfs/dbraw/zinc/53/73/34/572537334.db2.gz GBQSMVQFXUWASG-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Cc1ncc(-c2oncc2N)c(C)n1 74274763 572537414 /nfs/dbraw/zinc/53/74/14/572537414.db2.gz FUOVFTXSMBWUSE-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1[nH]nc(-c2nc(C=O)c[nH]2)c1C 74274675 572537460 /nfs/dbraw/zinc/53/74/60/572537460.db2.gz VZBNEDWMRAMPSX-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN C[C@H]1CCC[C@@H](C[NH2+]CC(=O)[O-])C1 84340759 572537436 /nfs/dbraw/zinc/53/74/36/572537436.db2.gz SMKNHUQACGHUIQ-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1cc(N)nc(-c2nc(C)co2)n1 74274739 572537447 /nfs/dbraw/zinc/53/74/47/572537447.db2.gz MPPAICFTWCVDJF-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CC[C@H]1NC(=O)C[C@@]1(COC)C1CC1 87501605 572537483 /nfs/dbraw/zinc/53/74/83/572537483.db2.gz MJNGEGWFAUFGKS-MWLCHTKSSA-N 0 0 197.278 1.328 10 0 ADAERN CN[C@@H](C1=COCCC1)C(F)F 234464753 572537531 /nfs/dbraw/zinc/53/75/31/572537531.db2.gz GRXIHQIWRSKMLN-ZETCQYMHSA-N 0 0 177.194 1.534 10 0 ADAERN C/C=C(/CC)C(=O)N1CCSC1 308052866 572537548 /nfs/dbraw/zinc/53/75/48/572537548.db2.gz STDFUGHRPONPNH-BAQGIRSFSA-N 0 0 185.292 1.876 10 0 ADAERN COC(=O)CNC[C@H]1CCC[C@H](C)C1 84340390 572537555 /nfs/dbraw/zinc/53/75/55/572537555.db2.gz GRWFKDYRTQKQPO-UWVGGRQHSA-N 0 0 199.294 1.575 10 0 ADAERN COc1cccc(-c2oncc2N)c1 74275071 572537567 /nfs/dbraw/zinc/53/75/67/572537567.db2.gz JKEPJKRTPVFAMG-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN CC[C@](C)(O)[C@H](N)c1nc(C)co1 74283446 572537604 /nfs/dbraw/zinc/53/76/04/572537604.db2.gz UXXFEZZKABHQFL-APPZFPTMSA-N 0 0 184.239 1.144 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])[C@H]1CCC[C@H](C)C1 84344088 572537909 /nfs/dbraw/zinc/53/79/09/572537909.db2.gz UMKWXERPSZFNEK-GUBZILKMSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cc(N)nc(-c2cc(C)on2)n1 74274730 572537642 /nfs/dbraw/zinc/53/76/42/572537642.db2.gz FLXABKSGHRYSSE-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1cc(-n2c(C)cnc2C=O)[nH]n1 74274751 572537669 /nfs/dbraw/zinc/53/76/69/572537669.db2.gz BDNXDVNZIHZNSM-UHFFFAOYSA-N 0 0 190.206 1.025 10 0 ADAERN Cc1nocc1Cc1c[nH]cc1C=O 74275091 572537717 /nfs/dbraw/zinc/53/77/17/572537717.db2.gz STNQIECNISLKPA-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN CC[C@@](C)(O)[C@@H](N)c1nc(C)co1 74283456 572537719 /nfs/dbraw/zinc/53/77/19/572537719.db2.gz UXXFEZZKABHQFL-IONNQARKSA-N 0 0 184.239 1.144 10 0 ADAERN CC/C=C1\C[C@@H]1CO 307795551 572537722 /nfs/dbraw/zinc/53/77/22/572537722.db2.gz WSUZIHPSEJUYBK-XUTFHDRNSA-N 0 0 112.172 1.335 10 0 ADAERN CC[C@H]1NC(=O)C[C@]1(COC)C(C)C 87501587 572537759 /nfs/dbraw/zinc/53/77/59/572537759.db2.gz LEBSNVSSFGAJHR-KOLCDFICSA-N 0 0 199.294 1.574 10 0 ADAERN COC(=O)CNC[C@@H]1CCC[C@H](C)C1 84340393 572537774 /nfs/dbraw/zinc/53/77/74/572537774.db2.gz GRWFKDYRTQKQPO-VHSXEESVSA-N 0 0 199.294 1.575 10 0 ADAERN [NH3+]Cc1coc2c1-c1conc1CC2 74274967 572537787 /nfs/dbraw/zinc/53/77/87/572537787.db2.gz SIJLYCMYVQNBTC-UHFFFAOYSA-N 0 0 190.202 1.492 10 0 ADAERN Cc1oc(C=O)cc1-c1cnn(C)c1 74275056 572537813 /nfs/dbraw/zinc/53/78/13/572537813.db2.gz WRBQUXJQYBABQX-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Cc1[nH]nc(-c2cc(C=O)n[nH]2)c1C 74274884 572537819 /nfs/dbraw/zinc/53/78/19/572537819.db2.gz MIRXNXKFBXQCMF-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN COCOc1cc2c(cc1O)OCC2 196825625 572538080 /nfs/dbraw/zinc/53/80/80/572538080.db2.gz MWOALTOTWSRGBK-UHFFFAOYSA-N 0 0 196.202 1.310 10 0 ADAERN CCOC1=C[C@H](O)C[C@@H]1OCC 238296714 572537821 /nfs/dbraw/zinc/53/78/21/572537821.db2.gz OOBTYFNRVVLXHI-CBAPKCEASA-N 0 0 172.224 1.077 10 0 ADAERN COc1ccc(C)c2c(C=O)[nH]nc12 74275007 572537825 /nfs/dbraw/zinc/53/78/25/572537825.db2.gz PKAOPEKLCLWYSF-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN Cc1coc(-c2nc(C)ncc2N)n1 74274709 572537849 /nfs/dbraw/zinc/53/78/49/572537849.db2.gz PVDFRAVSEAVQLQ-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CCc1cc(-c2cnncc2N)on1 74274689 572537852 /nfs/dbraw/zinc/53/78/52/572537852.db2.gz CAWVLVOOVGVFIV-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CCOC(=O)c1[nH]c(C(C)C)cc1N 238295575 572537859 /nfs/dbraw/zinc/53/78/59/572537859.db2.gz XNAKMRHAYGLQAO-UHFFFAOYSA-N 0 0 196.250 1.897 10 0 ADAERN COC(=O)CNC[C@@H]1CCC[C@@H](C)C1 84340391 572537862 /nfs/dbraw/zinc/53/78/62/572537862.db2.gz GRWFKDYRTQKQPO-NXEZZACHSA-N 0 0 199.294 1.575 10 0 ADAERN CC[C@]([NH3+])(OC)c1cccc(C=O)c1 238296996 572537869 /nfs/dbraw/zinc/53/78/69/572537869.db2.gz HEBVJWWVJDMSRU-NSHDSACASA-N 0 0 193.246 1.667 10 0 ADAERN CONC/C(C)=C\Cl 307792821 572537875 /nfs/dbraw/zinc/53/78/75/572537875.db2.gz UUDSXZJXLFXTAN-HYXAFXHYSA-N 0 0 135.594 1.280 10 0 ADAERN Cc1ccc(N)cc1N(C)CCO 53734833 572537881 /nfs/dbraw/zinc/53/78/81/572537881.db2.gz LMWVKYZIWBLTJZ-UHFFFAOYSA-N 0 0 180.251 1.006 10 0 ADAERN CC[C@](CO)(CCO)c1ccccc1 238294976 572537883 /nfs/dbraw/zinc/53/78/83/572537883.db2.gz WWYYXHAGAJIZKV-GFCCVEGCSA-N 0 0 194.274 1.709 10 0 ADAERN C/C=C\[C@@H](C)NC(=O)OC 207872522 572537885 /nfs/dbraw/zinc/53/78/85/572537885.db2.gz XYUFORGLVIOBNJ-WWVFMHICSA-N 0 0 143.186 1.307 10 0 ADAERN CC(=O)c1nc2cc(C)c(N)cc2o1 74274991 572537886 /nfs/dbraw/zinc/53/78/86/572537886.db2.gz QDXHROCRNMFXMG-UHFFFAOYSA-N 0 0 190.202 1.921 10 0 ADAERN Cc1onc(-c2cccc(O)c2)c1N 74274981 572538009 /nfs/dbraw/zinc/53/80/09/572538009.db2.gz KSGNZKMTKGXGLT-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CCO[C@H]1CC[C@H](CCO)CO1 238295394 572537916 /nfs/dbraw/zinc/53/79/16/572537916.db2.gz FLTXLFLEZAOIFT-RKDXNWHRSA-N 0 0 174.240 1.158 10 0 ADAERN CC[C@H](C(N)=O)[C@H](O)C1CCCC1 238295498 572537927 /nfs/dbraw/zinc/53/79/27/572537927.db2.gz CDGSIZYKXPHGHG-DTWKUNHWSA-N 0 0 185.267 1.049 10 0 ADAERN C[NH2+][C@@H](CC(=O)[O-])C1CCC(C)CC1 84340223 572537934 /nfs/dbraw/zinc/53/79/34/572537934.db2.gz UNBBZYRDOANBGA-RTBKNWGFSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H]1CCC[C@H](C[NH2+]CC(=O)[O-])C1 84340751 572537945 /nfs/dbraw/zinc/53/79/45/572537945.db2.gz SMKNHUQACGHUIQ-BDAKNGLRSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1n[nH]c(C)c1-c1cc(C=O)n[nH]1 74274878 572537959 /nfs/dbraw/zinc/53/79/59/572537959.db2.gz KVAJXTVCJIQQPQ-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN Cc1cc(C)c(-c2cnncc2N)[nH]1 74277140 572537967 /nfs/dbraw/zinc/53/79/67/572537967.db2.gz QCELANXKRCIWSL-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN C[C@H]1CCC[C@H](C[NH2+]CC(=O)[O-])C1 84340753 572538002 /nfs/dbraw/zinc/53/80/02/572538002.db2.gz SMKNHUQACGHUIQ-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN CC[C@@](C)(O)C(=O)C[C@@H](C)OC 238297892 572538029 /nfs/dbraw/zinc/53/80/29/572538029.db2.gz PAOPMTHMKUWFHD-VXNVDRBHSA-N 0 0 174.240 1.142 10 0 ADAERN CC[C@H](C(N)=O)[C@H](O)c1ccccc1 238295737 572538036 /nfs/dbraw/zinc/53/80/36/572538036.db2.gz INZVAFPVEACZML-VHSXEESVSA-N 0 0 193.246 1.232 10 0 ADAERN CCOC(=O)c1[nH]c(C)c(C)c1C=O 238295715 572538076 /nfs/dbraw/zinc/53/80/76/572538076.db2.gz VWIVGOBSWXEJDG-UHFFFAOYSA-N 0 0 195.218 1.621 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]1(COC)C1CC1 87501608 572538067 /nfs/dbraw/zinc/53/80/67/572538067.db2.gz MJNGEGWFAUFGKS-GXSJLCMTSA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@H](c1ccccc1)[C@H](O)CO 238295636 572538103 /nfs/dbraw/zinc/53/81/03/572538103.db2.gz BUNRTYJVPJYQHL-GHMZBOCLSA-N 0 0 180.247 1.533 10 0 ADAERN CC(C)[C@H]1OC(=O)C(=O)C1(C)C 13533327 572538173 /nfs/dbraw/zinc/53/81/73/572538173.db2.gz HSRGUOMPBPGXNU-SSDOTTSWSA-N 0 0 170.208 1.163 10 0 ADAERN CC(=O)N(C)[C@@H](C[NH3+])c1ccccc1 238297836 572538186 /nfs/dbraw/zinc/53/81/86/572538186.db2.gz SDCJOBLLUQBIOE-NSHDSACASA-N 0 0 192.262 1.165 10 0 ADAERN CS[C@@H](C)/C=C\CCO 307792355 572538224 /nfs/dbraw/zinc/53/82/24/572538224.db2.gz BXPPMGMYQDPUFN-GLCRXLCDSA-N 0 0 146.255 1.677 10 0 ADAERN C/C=C/C=C\[C@H](C)CO 307792315 572538234 /nfs/dbraw/zinc/53/82/34/572538234.db2.gz BTWOOOSIBAPLDU-MSZWJBESSA-N 0 0 126.199 1.747 10 0 ADAERN CC[C@@](C)(O)C(=O)C[C@H](C)OC 238297913 572538248 /nfs/dbraw/zinc/53/82/48/572538248.db2.gz PAOPMTHMKUWFHD-IONNQARKSA-N 0 0 174.240 1.142 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])C1CCC(C)CC1 84339611 572538260 /nfs/dbraw/zinc/53/82/60/572538260.db2.gz ZKCHSHJSKCPKBE-UDNWOFFPSA-N 0 0 199.294 1.875 10 0 ADAERN CCOC(=O)[C@@H](C)C1=C[C@@H](O)CCC1 238295204 572538312 /nfs/dbraw/zinc/53/83/12/572538312.db2.gz WIUDGXZQASYSRW-WPRPVWTQSA-N 0 0 198.262 1.657 10 0 ADAERN C/C=C\[C@H](O)[C@H](C)OCC 307792101 572538339 /nfs/dbraw/zinc/53/83/39/572538339.db2.gz JDYQMYMHTKCFRM-RGGFDPLPSA-N 0 0 144.214 1.348 10 0 ADAERN O[C@H]1CCN(c2ccccc2)O1 196822641 572538373 /nfs/dbraw/zinc/53/83/73/572538373.db2.gz QUGLUCCLEYUYDU-SECBINFHSA-N 0 0 165.192 1.147 10 0 ADAERN C/C=C1\[C@@H](CO)[C@H]1CC 307793886 572538393 /nfs/dbraw/zinc/53/83/93/572538393.db2.gz CHSMOVQGBHOMBJ-HUBQWXJRSA-N 0 0 126.199 1.581 10 0 ADAERN CCOC(=O)c1[nH]ccc1C[C@@H](C)O 238296751 572538413 /nfs/dbraw/zinc/53/84/13/572538413.db2.gz MKBIKOQJVYSWHF-SSDOTTSWSA-N 0 0 197.234 1.115 10 0 ADAERN CCOC(=O)c1[nH]ccc1OC 238296798 572538415 /nfs/dbraw/zinc/53/84/15/572538415.db2.gz MGGYDYGSDRPEQL-UHFFFAOYSA-N 0 0 169.180 1.200 10 0 ADAERN C/C=C1/[C@H](CC)[C@H]1CO 307793885 572538418 /nfs/dbraw/zinc/53/84/18/572538418.db2.gz CHSMOVQGBHOMBJ-BYHGJBBWSA-N 0 0 126.199 1.581 10 0 ADAERN Cc1ccc(-c2cc(C=O)no2)cn1 74278263 572539029 /nfs/dbraw/zinc/53/90/29/572539029.db2.gz PIBJZLUQUBALGA-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CCOC(=O)[C@@H](C)C1=C[C@H](O)CCC1 238295219 572538471 /nfs/dbraw/zinc/53/84/71/572538471.db2.gz WIUDGXZQASYSRW-WCBMZHEXSA-N 0 0 198.262 1.657 10 0 ADAERN CC/C=C\C(=O)N(C)CC 307792693 572538504 /nfs/dbraw/zinc/53/85/04/572538504.db2.gz RORGOCPVAJMKLA-SREVYHEPSA-N 0 0 141.214 1.431 10 0 ADAERN Cc1nc(N)cn1Cc1ccccn1 74277321 572538528 /nfs/dbraw/zinc/53/85/28/572538528.db2.gz TYDXBJQUUCYWTI-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CC[C@H](c1ccco1)[C@H]([NH3+])C(=O)[O-] 238294948 572538586 /nfs/dbraw/zinc/53/85/86/572538586.db2.gz GCBSCLCAGMDKDO-SVRRBLITSA-N 0 0 183.207 1.185 10 0 ADAERN Nc1cc2ncc(CC3CC3)cn2n1 74277467 572538609 /nfs/dbraw/zinc/53/86/09/572538609.db2.gz LPBMAAFFKNXAPK-UHFFFAOYSA-N 0 0 188.234 1.264 10 0 ADAERN CCOCn1ccnc1OC1CC1 238297750 572538617 /nfs/dbraw/zinc/53/86/17/572538617.db2.gz KDYXPWIEDGDOFT-UHFFFAOYSA-N 0 0 182.223 1.418 10 0 ADAERN Cc1nc(N)cn1Cc1cccnc1 74277331 572538621 /nfs/dbraw/zinc/53/86/21/572538621.db2.gz KYXVBYVMMUGIAR-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN O=Cc1cc(Cc2ccccn2)on1 74278371 572538640 /nfs/dbraw/zinc/53/86/40/572538640.db2.gz OCGZVVJZJGWUSJ-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN Cn1cc([C@H]2CCCCC[C@H]2O)cn1 53751716 572538694 /nfs/dbraw/zinc/53/86/94/572538694.db2.gz CQSNHOWINMLUFO-GHMZBOCLSA-N 0 0 194.278 1.829 10 0 ADAERN CCOC(=O)C1=C(C)NC(C=[NH2+])C1=O 238297862 572538722 /nfs/dbraw/zinc/53/87/22/572538722.db2.gz PXGWIIUPDALXNT-UHFFFAOYSA-N 0 0 196.206 1.203 10 0 ADAERN CC[C@H](CCC(N)=O)C(C)C 238297977 572538731 /nfs/dbraw/zinc/53/87/31/572538731.db2.gz FPTBOISBLKEZKC-MRVPVSSYSA-N 0 0 157.257 1.934 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@@H]1CCC[C@H](C)C1 84347935 572538732 /nfs/dbraw/zinc/53/87/32/572538732.db2.gz RTQMCVARBIYSLH-IVZWLZJFSA-N 0 0 199.294 1.875 10 0 ADAERN CCOCc1cccc(C=O)n1 238295052 572538740 /nfs/dbraw/zinc/53/87/40/572538740.db2.gz AOKJJNZRDZMUAM-UHFFFAOYSA-N 0 0 165.192 1.431 10 0 ADAERN CCOC(=O)c1[nH]ccc1C[C@H](C)O 238296761 572538766 /nfs/dbraw/zinc/53/87/66/572538766.db2.gz MKBIKOQJVYSWHF-ZETCQYMHSA-N 0 0 197.234 1.115 10 0 ADAERN CCO[C@H]1CC[C@@]1(CO)C(C)C 238295263 572539752 /nfs/dbraw/zinc/53/97/52/572539752.db2.gz VNGMEIHOKZWVKK-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H]1C[C@@H](CC(=O)[O-])C[C@@H](C)[N@@H+]1C 250916460 572538769 /nfs/dbraw/zinc/53/87/69/572538769.db2.gz XXHVHMLDZSTPRX-BRPSZJMVSA-N 0 0 185.267 1.580 10 0 ADAERN Cc1nc2cc[nH]cc-2c1C(=O)C=O 74278304 572538773 /nfs/dbraw/zinc/53/87/73/572538773.db2.gz OLTMDDORKRBWQD-UHFFFAOYSA-N 0 0 188.186 1.253 10 0 ADAERN CCOC(=O)c1[nH]ccc1[C@@H](C)OC 238296819 572538790 /nfs/dbraw/zinc/53/87/90/572538790.db2.gz HRKYDBFVPKFYPR-SSDOTTSWSA-N 0 0 197.234 1.899 10 0 ADAERN CC1=CC[C@H]([C@@H](C)CO)C[C@H]1O 196825862 572538794 /nfs/dbraw/zinc/53/87/94/572538794.db2.gz RQFWSTAEFGTNBP-LPEHRKFASA-N 0 0 170.252 1.332 10 0 ADAERN Cc1ccn(-c2c(C)cc[nH+]c2N)n1 74277634 572538801 /nfs/dbraw/zinc/53/88/01/572538801.db2.gz GCTUNIYEJVFHKQ-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ccnc(-n2nccc2C)c1N 74277425 572538825 /nfs/dbraw/zinc/53/88/25/572538825.db2.gz QWTJPZZPMIODCR-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC[C@H](CCC(C)=O)OC(C)=O 238297891 572538857 /nfs/dbraw/zinc/53/88/57/572538857.db2.gz GJGGLSRYGAIJDT-SECBINFHSA-N 0 0 172.224 1.697 10 0 ADAERN [NH3+]Cc1cc2cc[nH]c2c2c1OCC2 74277872 572538865 /nfs/dbraw/zinc/53/88/65/572538865.db2.gz OHVBTBHSRTWIBG-UHFFFAOYSA-N 0 0 188.230 1.562 10 0 ADAERN CC[C@]([NH3+])(C[Si](C)(C)C)C(=O)[O-] 238296733 572538874 /nfs/dbraw/zinc/53/88/74/572538874.db2.gz BRHQXJGOSFDMSJ-QMMMGPOBSA-N 0 0 189.331 1.517 10 0 ADAERN C[C@@H]1CCC[C@@H](C[NH2+]CC(=O)[O-])C1 84340756 572538877 /nfs/dbraw/zinc/53/88/77/572538877.db2.gz SMKNHUQACGHUIQ-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN O=Cc1ccc(-c2cccc(=O)[nH]2)[nH]1 74278296 572538895 /nfs/dbraw/zinc/53/88/95/572538895.db2.gz BPZQFAGMFJBESB-UHFFFAOYSA-N 0 0 188.186 1.183 10 0 ADAERN O[C@@H]1CCC[C@@H]1c1cncc(F)c1 53751840 572538926 /nfs/dbraw/zinc/53/89/26/572538926.db2.gz MGTXSKHLLMHTEB-NXEZZACHSA-N 0 0 181.210 1.849 10 0 ADAERN CC[C@H](C)[NH2+]Cc1occc1C(=O)[O-] 232425084 572538929 /nfs/dbraw/zinc/53/89/29/572538929.db2.gz LTOVYDQUSJECGA-ZETCQYMHSA-N 0 0 197.234 1.866 10 0 ADAERN Cc1ccc(-n2cnnc2)c(N)c1C 74277642 572538930 /nfs/dbraw/zinc/53/89/30/572538930.db2.gz HFMBBOUNMLRVMA-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Nc1cnc2ncc(C3CCC3)cn12 74277463 572538958 /nfs/dbraw/zinc/53/89/58/572538958.db2.gz DLUJAYVFRYLBHF-UHFFFAOYSA-N 0 0 188.234 1.579 10 0 ADAERN C[C@H]1C[C@H](CCC(=O)[O-])C[C@@H](C)[N@@H+]1C 250903736 572538963 /nfs/dbraw/zinc/53/89/63/572538963.db2.gz OVUUFSZLWPAEBD-ILWJIGKKSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1C[C@@H](CCC(=O)[O-])C[C@@H](C)[N@@H+]1C 250903740 572538990 /nfs/dbraw/zinc/53/89/90/572538990.db2.gz OVUUFSZLWPAEBD-MYJAWHEDSA-N 0 0 199.294 1.970 10 0 ADAERN O=Cc1n[nH]c2ccc3c(c12)CCO3 74278285 572539016 /nfs/dbraw/zinc/53/90/16/572539016.db2.gz GKTVIBKTOQUKPV-UHFFFAOYSA-N 0 0 188.186 1.310 10 0 ADAERN CCOC(=O)c1[nH]ccc1[C@H](C)OC 238296833 572539033 /nfs/dbraw/zinc/53/90/33/572539033.db2.gz HRKYDBFVPKFYPR-ZETCQYMHSA-N 0 0 197.234 1.899 10 0 ADAERN C[NH2+]Cc1occc1COC1CC1 713279725 572539095 /nfs/dbraw/zinc/53/90/95/572539095.db2.gz GVMDOZCWOUGZJV-UHFFFAOYSA-N 0 0 181.235 1.678 10 0 ADAERN Cc1cc[nH+]c(N)c1-n1nccc1C 74277429 572539830 /nfs/dbraw/zinc/53/98/30/572539830.db2.gz RNEHTTZUYFNQLP-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC(=O)CC[C@H](O)CC(F)(F)F 308053915 572539149 /nfs/dbraw/zinc/53/91/49/572539149.db2.gz TWNLGIHDFZARHX-LURJTMIESA-N 0 0 184.157 1.669 10 0 ADAERN C[C@H]1C[C@]2(CCC(=O)C2)CC1=O 196825058 572539162 /nfs/dbraw/zinc/53/91/62/572539162.db2.gz BFEUSEKPIYTDSD-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@H]([NH3+])c1ccn(-c2ccccn2)n1 74277625 572539163 /nfs/dbraw/zinc/53/91/63/572539163.db2.gz HBYYNHDOUWELQU-QMMMGPOBSA-N 0 0 188.234 1.287 10 0 ADAERN [NH3+][C@H](Cc1ccncc1)c1cc[nH]n1 74277493 572539121 /nfs/dbraw/zinc/53/91/21/572539121.db2.gz MCVPABSKARMFFI-SECBINFHSA-N 0 0 188.234 1.047 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@H]1CCC[C@@H](C)C1 84347923 572539126 /nfs/dbraw/zinc/53/91/26/572539126.db2.gz RTQMCVARBIYSLH-KXUCPTDWSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H](O)C[C@@H](C)OCC1CC1 84401634 572539194 /nfs/dbraw/zinc/53/91/94/572539194.db2.gz OSOKEFYEZDXXSZ-HTQZYQBOSA-N 0 0 158.241 1.572 10 0 ADAERN [NH3+]Cc1nccc2oc3c(c12)CCC3 74277929 572539218 /nfs/dbraw/zinc/53/92/18/572539218.db2.gz JQQMNDLFZAVQQV-UHFFFAOYSA-N 0 0 188.230 1.775 10 0 ADAERN [NH3+][C@@H](Cc1ccccc1)c1cnoc1 74277976 572539255 /nfs/dbraw/zinc/53/92/55/572539255.db2.gz WGINNKSGBQBFNF-NSHDSACASA-N 0 0 188.230 1.917 10 0 ADAERN CC[C@]([NH3+])(OC)c1ccc(C=O)cc1 238296953 572539256 /nfs/dbraw/zinc/53/92/56/572539256.db2.gz NTTGJDMTIZAAES-NSHDSACASA-N 0 0 193.246 1.667 10 0 ADAERN CC(=O)CC[C@@H](O)CC(F)(F)F 308053921 572539257 /nfs/dbraw/zinc/53/92/57/572539257.db2.gz TWNLGIHDFZARHX-ZCFIWIBFSA-N 0 0 184.157 1.669 10 0 ADAERN C[C@H]1C[C@@H](C(=O)[O-])C[C@@H](C)[N@@H+]1C 250902653 572539264 /nfs/dbraw/zinc/53/92/64/572539264.db2.gz OTNZTISREUEOFY-JIGDXULJSA-N 0 0 171.240 1.190 10 0 ADAERN C/C=C\[C@H](O)[C@@H](C)OCC 307792103 572539271 /nfs/dbraw/zinc/53/92/71/572539271.db2.gz JDYQMYMHTKCFRM-VMMSMWDISA-N 0 0 144.214 1.348 10 0 ADAERN CCOc1noc2c1CSCC2 196824918 572539321 /nfs/dbraw/zinc/53/93/21/572539321.db2.gz NBRKTMOECHTEIG-UHFFFAOYSA-N 0 0 185.248 1.863 10 0 ADAERN CC[C@H](CCC(C)=O)C(=O)OC 238297833 572539364 /nfs/dbraw/zinc/53/93/64/572539364.db2.gz HYIAIXJJEAYLLT-MRVPVSSYSA-N 0 0 172.224 1.555 10 0 ADAERN O=Cc1cc(Cc2ccncc2)on1 74278260 572539372 /nfs/dbraw/zinc/53/93/72/572539372.db2.gz NATQELSXNUARGV-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN CC[C@H](C(N)=O)[C@H](O)C1CCCCC1 238295510 572539374 /nfs/dbraw/zinc/53/93/74/572539374.db2.gz FJGILDKZSHHTDZ-VHSXEESVSA-N 0 0 199.294 1.439 10 0 ADAERN [NH3+]C1(c2cc3ccc(O)cc3[nH]2)CC1 74277955 572539382 /nfs/dbraw/zinc/53/93/82/572539382.db2.gz HDOGPFNIGOGFLW-UHFFFAOYSA-N 0 0 188.230 1.821 10 0 ADAERN C[C@@H]1C[C@@]2(CCC(=O)C2)CC1=O 196825015 572539385 /nfs/dbraw/zinc/53/93/85/572539385.db2.gz BFEUSEKPIYTDSD-GMSGAONNSA-N 0 0 166.220 1.725 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])C1CCC(C)CC1 84340221 572539417 /nfs/dbraw/zinc/53/94/17/572539417.db2.gz UNBBZYRDOANBGA-UDNWOFFPSA-N 0 0 199.294 1.875 10 0 ADAERN C/C=C\[C@H](/C=C\CO)OC 307791917 572539431 /nfs/dbraw/zinc/53/94/31/572539431.db2.gz IQYFEUWKOPEMHW-ZVGMLJPASA-N 0 0 142.198 1.126 10 0 ADAERN Cc1oc(C=O)cc1-c1ccncn1 74278340 572539434 /nfs/dbraw/zinc/53/94/34/572539434.db2.gz CWLJKCGQFIAPOD-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN O=Cc1nonc1Cc1ccccc1 74278344 572539441 /nfs/dbraw/zinc/53/94/41/572539441.db2.gz KSAMCONKUPSFJS-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN CC[C@](CO)(COC(N)=O)C(C)C 238295084 572539442 /nfs/dbraw/zinc/53/94/42/572539442.db2.gz MVMHFAYSHNXBTD-VIFPVBQESA-N 0 0 189.255 1.126 10 0 ADAERN Cc1cccc(-c2nonc2C=O)c1 74278350 572539453 /nfs/dbraw/zinc/53/94/53/572539453.db2.gz UYZPSGWXGGAFPE-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN Nc1cc(-c2cc3c([nH]2)CCC3)[nH]n1 74277287 572539459 /nfs/dbraw/zinc/53/94/59/572539459.db2.gz AVQDYPNSWWWMQZ-UHFFFAOYSA-N 0 0 188.234 1.476 10 0 ADAERN C[C@H]1C[C@@]2(CCC(=O)C2)CC1=O 196825030 572539463 /nfs/dbraw/zinc/53/94/63/572539463.db2.gz BFEUSEKPIYTDSD-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN CCO[C@H]1CC[C@@H](CCO)CO1 238294993 572539467 /nfs/dbraw/zinc/53/94/67/572539467.db2.gz FLTXLFLEZAOIFT-DTWKUNHWSA-N 0 0 174.240 1.158 10 0 ADAERN CCOC1=C[C@@H](O)C[C@@H]1OCC 238297926 572539473 /nfs/dbraw/zinc/53/94/73/572539473.db2.gz OOBTYFNRVVLXHI-APPZFPTMSA-N 0 0 172.224 1.077 10 0 ADAERN CCOCc1ccccc1CCO 238295384 572539475 /nfs/dbraw/zinc/53/94/75/572539475.db2.gz ZBQCMWGRWKTDGG-UHFFFAOYSA-N 0 0 180.247 1.758 10 0 ADAERN [NH3+][C@@H](Cc1ccncc1)c1cc[nH]n1 74277489 572539477 /nfs/dbraw/zinc/53/94/77/572539477.db2.gz MCVPABSKARMFFI-VIFPVBQESA-N 0 0 188.234 1.047 10 0 ADAERN C/C=C\[C@@H]1C=CC[C@@H]1CO 307792772 572539484 /nfs/dbraw/zinc/53/94/84/572539484.db2.gz RYZHJGXMOWJFAG-HWTYGCMBSA-N 0 0 138.210 1.747 10 0 ADAERN CCON[C@@H]1C=CCCC1 196826733 572539578 /nfs/dbraw/zinc/53/95/78/572539578.db2.gz PZZQKFSJURYFSE-MRVPVSSYSA-N 0 0 141.214 1.636 10 0 ADAERN Nc1c[nH]nc1CCc1ccccn1 74277337 572539580 /nfs/dbraw/zinc/53/95/80/572539580.db2.gz KJSODBQZWDVYNZ-UHFFFAOYSA-N 0 0 188.234 1.172 10 0 ADAERN CCOCc1cccc(CO)c1 238295079 572539503 /nfs/dbraw/zinc/53/95/03/572539503.db2.gz ZTODSBIWCZJPTF-UHFFFAOYSA-N 0 0 166.220 1.715 10 0 ADAERN CC(C)[NH2+]C1(CC(=O)[O-])CCCC1 84346123 572539508 /nfs/dbraw/zinc/53/95/08/572539508.db2.gz DTYCLCRMZOEXRI-UHFFFAOYSA-N 0 0 185.267 1.772 10 0 ADAERN Nc1cccc2c(C(=O)C=O)c[nH]c12 74278306 572539509 /nfs/dbraw/zinc/53/95/09/572539509.db2.gz HXWOCUIUPLELAQ-UHFFFAOYSA-N 0 0 188.186 1.132 10 0 ADAERN Cc1ccc(C)n1-c1ncc(N)cn1 74277588 572539518 /nfs/dbraw/zinc/53/95/18/572539518.db2.gz RCQNSTRMZSYKTF-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCc1cccc(C(=O)OC)c1CO 238295537 572539521 /nfs/dbraw/zinc/53/95/21/572539521.db2.gz MUHUKLPHTKFKIK-UHFFFAOYSA-N 0 0 194.230 1.528 10 0 ADAERN [NH3+]Cc1c2c(cc3cc[nH]c13)CCO2 74277868 572539541 /nfs/dbraw/zinc/53/95/41/572539541.db2.gz WVDMEYOBPZUWSQ-UHFFFAOYSA-N 0 0 188.230 1.562 10 0 ADAERN C/C=C\[C@@H]1C=CC[C@H]1CO 307792774 572539542 /nfs/dbraw/zinc/53/95/42/572539542.db2.gz RYZHJGXMOWJFAG-SJLHTBIVSA-N 0 0 138.210 1.747 10 0 ADAERN O[C@@H]1CCN(c2ccccc2)O1 196822655 572539582 /nfs/dbraw/zinc/53/95/82/572539582.db2.gz QUGLUCCLEYUYDU-VIFPVBQESA-N 0 0 165.192 1.147 10 0 ADAERN CO/C(=C\CO)C(C)C 307792276 572539598 /nfs/dbraw/zinc/53/95/98/572539598.db2.gz BLQQQJJRIAYCRR-DAXSKMNVSA-N 0 0 130.187 1.165 10 0 ADAERN Cc1c[nH+]cn1[Si](C)(C)C 196822255 572539612 /nfs/dbraw/zinc/53/96/12/572539612.db2.gz LIXBGSTWBVOBRU-UHFFFAOYSA-N 0 0 154.289 1.875 10 0 ADAERN CCNc1ncc(F)c(OC2CC2)n1 713279414 572539623 /nfs/dbraw/zinc/53/96/23/572539623.db2.gz CKPOKQMDDDEESN-UHFFFAOYSA-N 0 0 197.213 1.589 10 0 ADAERN Cc1nc(C=O)cc(-c2ccco2)n1 74278255 572539627 /nfs/dbraw/zinc/53/96/27/572539627.db2.gz APZZBLRMJUIHFY-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@H]1CCC[C@H](C)C1 84347927 572539629 /nfs/dbraw/zinc/53/96/29/572539629.db2.gz RTQMCVARBIYSLH-LPEHRKFASA-N 0 0 199.294 1.875 10 0 ADAERN CCOC(=O)[C@@H](C)/C(C)=C/CO 238295146 572539630 /nfs/dbraw/zinc/53/96/30/572539630.db2.gz DGMDLYLDLFHJCL-IVGLGHLBSA-N 0 0 172.224 1.124 10 0 ADAERN O=Cc1cnoc1Cc1cccnc1 74278374 572539631 /nfs/dbraw/zinc/53/96/31/572539631.db2.gz IRIGBFSMHLRMJH-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN CC/C=C1\C[C@H]1CO 307795552 572539677 /nfs/dbraw/zinc/53/96/77/572539677.db2.gz WSUZIHPSEJUYBK-ZAXDUSRUSA-N 0 0 112.172 1.335 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])C1CCC(C)CC1 84339610 572539680 /nfs/dbraw/zinc/53/96/80/572539680.db2.gz ZKCHSHJSKCPKBE-RTBKNWGFSA-N 0 0 199.294 1.875 10 0 ADAERN CCON[C@H]1C=CCCC1 196826721 572539701 /nfs/dbraw/zinc/53/97/01/572539701.db2.gz PZZQKFSJURYFSE-QMMMGPOBSA-N 0 0 141.214 1.636 10 0 ADAERN CCc1noc(CC(=O)CC(C)C)n1 87526824 572539742 /nfs/dbraw/zinc/53/97/42/572539742.db2.gz HSNGBMIYBHAUFZ-UHFFFAOYSA-N 0 0 196.250 1.790 10 0 ADAERN CCOC(=O)c1c(C)[nH]c(C[NH3+])c1C 238297925 572539786 /nfs/dbraw/zinc/53/97/86/572539786.db2.gz XUZZKFCXTVXUKB-UHFFFAOYSA-N 0 0 196.250 1.267 10 0 ADAERN C[C@H](O)C[C@H](C)OCC1CC1 84401635 572539788 /nfs/dbraw/zinc/53/97/88/572539788.db2.gz OSOKEFYEZDXXSZ-YUMQZZPRSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@]([NH3+])(OC)c1ccccc1C=O 238297014 572539800 /nfs/dbraw/zinc/53/98/00/572539800.db2.gz NTQBRWGFTXGSFD-NSHDSACASA-N 0 0 193.246 1.667 10 0 ADAERN CC[C@H](CCC(C)=O)C(C)=O 238297843 572539804 /nfs/dbraw/zinc/53/98/04/572539804.db2.gz JHNOMTFXKLZGTG-SECBINFHSA-N 0 0 156.225 1.971 10 0 ADAERN C/C=C\CCNC(=O)[C@H]1CCOC1 308056234 572539813 /nfs/dbraw/zinc/53/98/13/572539813.db2.gz OMTWZZNDXLAXHN-XADBCAIWSA-N 0 0 183.251 1.105 10 0 ADAERN CCOCc1ncccc1C(C)=O 238296896 572539849 /nfs/dbraw/zinc/53/98/49/572539849.db2.gz HXCDTKNSSOYDAK-UHFFFAOYSA-N 0 0 179.219 1.821 10 0 ADAERN Cc1cocc1-c1ncc(C=O)cn1 74278257 572539860 /nfs/dbraw/zinc/53/98/60/572539860.db2.gz UBXJXUIHAJQKKT-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN C[C@@H]1C[C@]2(CCC(=O)C2)CC1=O 196825045 572539863 /nfs/dbraw/zinc/53/98/63/572539863.db2.gz BFEUSEKPIYTDSD-XCBNKYQSSA-N 0 0 166.220 1.725 10 0 ADAERN Cc1ccn(C)c1-c1cnncc1N 74277150 572539872 /nfs/dbraw/zinc/53/98/72/572539872.db2.gz GSDXNZWHVDLKGA-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)[C@@H]1OC(=O)C(=O)C1(C)C 13533323 572539873 /nfs/dbraw/zinc/53/98/73/572539873.db2.gz HSRGUOMPBPGXNU-ZETCQYMHSA-N 0 0 170.208 1.163 10 0 ADAERN COC(=O)CNC[C@H]1CCC[C@@H](C)C1 84340389 572539884 /nfs/dbraw/zinc/53/98/84/572539884.db2.gz GRWFKDYRTQKQPO-ZJUUUORDSA-N 0 0 199.294 1.575 10 0 ADAERN Cc1ccc(C)n1-c1ncncc1N 74277578 572539895 /nfs/dbraw/zinc/53/98/95/572539895.db2.gz XPNAMRYEXGENGW-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CN[C@@H](C(=O)OC)C1CCC(C)CC1 84339625 572539897 /nfs/dbraw/zinc/53/98/97/572539897.db2.gz YBJPGUVVDCTZDQ-UDNWOFFPSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1ccncc1-c1oncc1C=O 74278282 572539900 /nfs/dbraw/zinc/53/99/00/572539900.db2.gz CNVZWOFRWJVUOJ-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN O=Cc1cnc(Cc2ccncc2)o1 74278309 572539998 /nfs/dbraw/zinc/53/99/98/572539998.db2.gz MOJHYECTEMACFK-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN Cc1cnc(-c2cnccc2C=O)o1 74278270 572539920 /nfs/dbraw/zinc/53/99/20/572539920.db2.gz OEJCIVHOUUWEKL-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CCC[C@H]([NH3+])[C@H](O)c1nc(C)co1 74283519 572540046 /nfs/dbraw/zinc/54/00/46/572540046.db2.gz YAAINDCGZVWMDZ-YUMQZZPRSA-N 0 0 184.239 1.144 10 0 ADAERN C/C=C\CCNC(=O)[C@@H]1CCOC1 308056233 572540081 /nfs/dbraw/zinc/54/00/81/572540081.db2.gz OMTWZZNDXLAXHN-PKRMOACSSA-N 0 0 183.251 1.105 10 0 ADAERN CCSCCNC(=O)C=C(C)C 308056501 572540120 /nfs/dbraw/zinc/54/01/20/572540120.db2.gz URZVEFHTULJXBR-UHFFFAOYSA-N 0 0 187.308 1.822 10 0 ADAERN CCC[C@@H]([NH3+])[C@H](O)c1nc(C)co1 74283523 572540126 /nfs/dbraw/zinc/54/01/26/572540126.db2.gz YAAINDCGZVWMDZ-SFYZADRCSA-N 0 0 184.239 1.144 10 0 ADAERN Cc1cc(C)c(N)c(-n2cnnc2)c1 74277638 572540186 /nfs/dbraw/zinc/54/01/86/572540186.db2.gz ZFIIUTJZERKPBB-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC[C@H](CCCCCO)OC(C)=O 238298730 572540196 /nfs/dbraw/zinc/54/01/96/572540196.db2.gz CCPVZLUKTQAQOG-SNVBAGLBSA-N 0 0 188.267 1.881 10 0 ADAERN CC1=CCCCC[C@@H]1O 196834955 572540201 /nfs/dbraw/zinc/54/02/01/572540201.db2.gz LRUVWBAIIDSYHG-QMMMGPOBSA-N 0 0 126.199 1.868 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])[C@@H]1CCC[C@H](C)C1 84344078 572540203 /nfs/dbraw/zinc/54/02/03/572540203.db2.gz UMKWXERPSZFNEK-AEJSXWLSSA-N 0 0 199.294 1.875 10 0 ADAERN CC(=O)CCc1ccc(CO)cc1 90727871 572540241 /nfs/dbraw/zinc/54/02/41/572540241.db2.gz FGSJOBYZMITGLF-UHFFFAOYSA-N 0 0 178.231 1.701 10 0 ADAERN CC[C@@](C)(O)CC[C@@H](O)C(C)(C)O 238298300 572540257 /nfs/dbraw/zinc/54/02/57/572540257.db2.gz SMHYBCKNKBWVFT-PSASIEDQSA-N 0 0 190.283 1.059 10 0 ADAERN Cc1ncc(C)c(-c2cc(N)c[nH]2)n1 74277575 572540265 /nfs/dbraw/zinc/54/02/65/572540265.db2.gz FTHUCTILJPOMEQ-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CNC(=O)O[C@H](CO)c1ccccc1 238299932 572540267 /nfs/dbraw/zinc/54/02/67/572540267.db2.gz ZVABMFVDOGTRSA-SECBINFHSA-N 0 0 195.218 1.076 10 0 ADAERN Cn1cc([C@@H]2CCCCC[C@H]2O)cn1 53751714 572540275 /nfs/dbraw/zinc/54/02/75/572540275.db2.gz CQSNHOWINMLUFO-WDEREUQCSA-N 0 0 194.278 1.829 10 0 ADAERN CCOC(=O)c1coc(OC2CC2)n1 238297327 572540282 /nfs/dbraw/zinc/54/02/82/572540282.db2.gz VZISBRRQSAIYIK-UHFFFAOYSA-N 0 0 197.190 1.393 10 0 ADAERN Cc1ncc(-c2cc(N)c[nH]2)c(C)n1 74277560 572540309 /nfs/dbraw/zinc/54/03/09/572540309.db2.gz FOHBVTIKLFUVFT-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN C[C@H]([NH3+])c1ccn(-c2cccnc2)n1 74277619 572540336 /nfs/dbraw/zinc/54/03/36/572540336.db2.gz DHLFKLMHILCGFN-QMMMGPOBSA-N 0 0 188.234 1.287 10 0 ADAERN Cc1ncc(-c2ncccc2C=O)o1 74278268 572540352 /nfs/dbraw/zinc/54/03/52/572540352.db2.gz WULCBEDWOMVBPT-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN Cc1noc(CC(=O)CC(C)C)n1 87526817 572540383 /nfs/dbraw/zinc/54/03/83/572540383.db2.gz KBXCNNPLROLETK-UHFFFAOYSA-N 0 0 182.223 1.536 10 0 ADAERN C=CC(=O)N(C)Cc1ccc[nH]1 238298685 572540387 /nfs/dbraw/zinc/54/03/87/572540387.db2.gz BBNMTDBIRRHYFG-UHFFFAOYSA-N 0 0 164.208 1.159 10 0 ADAERN CC[C@@](C)(O)CCC[C@](C)(O)CO 238298268 572540392 /nfs/dbraw/zinc/54/03/92/572540392.db2.gz SNRSSYZRUWEQJM-ZJUUUORDSA-N 0 0 190.283 1.061 10 0 ADAERN CCC[C@H]([NH3+])[C@@H](O)c1nc(C)co1 74283526 572540400 /nfs/dbraw/zinc/54/04/00/572540400.db2.gz YAAINDCGZVWMDZ-JGVFFNPUSA-N 0 0 184.239 1.144 10 0 ADAERN O=Cc1cc(-c2cccc(O)c2)[nH]n1 74278265 572540420 /nfs/dbraw/zinc/54/04/20/572540420.db2.gz WBNYZUPASHXGGL-UHFFFAOYSA-N 0 0 188.186 1.595 10 0 ADAERN CC[C@@](C)(O)CC/C=C/CO 238298368 572540479 /nfs/dbraw/zinc/54/04/79/572540479.db2.gz NLFHUNMNWXWNSS-OTQAPUNGSA-N 0 0 158.241 1.476 10 0 ADAERN CC[C@](O)(CO)CC[Si](C)(C)C 238299511 572540497 /nfs/dbraw/zinc/54/04/97/572540497.db2.gz GVBZIXWPHKCBBI-SECBINFHSA-N 0 0 190.359 1.848 10 0 ADAERN C=CN(C)C(=O)OC(C)(C)C 196834099 572540504 /nfs/dbraw/zinc/54/05/04/572540504.db2.gz PMTSWHOQQMJIJJ-UHFFFAOYSA-N 0 0 157.213 1.997 10 0 ADAERN CC[C@@](C)(O)C[C@@H](O)COC(C)C 238298571 572540512 /nfs/dbraw/zinc/54/05/12/572540512.db2.gz YQLOASIFKDUDLQ-NXEZZACHSA-N 0 0 190.283 1.323 10 0 ADAERN [NH3+][C@H](Cc1ccccn1)c1cc[nH]n1 74277485 572540534 /nfs/dbraw/zinc/54/05/34/572540534.db2.gz KCOTWMAIKAXCBL-SECBINFHSA-N 0 0 188.234 1.047 10 0 ADAERN Cc1ccc(C)n1-c1nccc(N)n1 74277583 572540579 /nfs/dbraw/zinc/54/05/79/572540579.db2.gz RHRAOSFPVNAGOV-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN C=C/C=C\[C@]1(C)C[C@H]1CO 307795829 572540625 /nfs/dbraw/zinc/54/06/25/572540625.db2.gz KSGMUWNFUPMBBS-CGECUYNFSA-N 0 0 138.210 1.747 10 0 ADAERN C/C=C\[C@H](C)/C=C\CO 307796699 572541877 /nfs/dbraw/zinc/54/18/77/572541877.db2.gz FCYYMKARZCGSOA-UIPBRQFCSA-N 0 0 126.199 1.747 10 0 ADAERN Nc1ccc2[nH]cc(C(=O)C=O)c2c1 74278302 572540705 /nfs/dbraw/zinc/54/07/05/572540705.db2.gz DDHIPNJVIWRIKJ-UHFFFAOYSA-N 0 0 188.186 1.132 10 0 ADAERN O=Cc1cnc(Cc2ccccn2)o1 74278312 572540721 /nfs/dbraw/zinc/54/07/21/572540721.db2.gz DENAQEOJHJZNEY-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN Cc1[nH+]c(N)nc(-n2cccc2)c1C 74277601 572540725 /nfs/dbraw/zinc/54/07/25/572540725.db2.gz VLFZLQRNCPLJAQ-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cn1cc([C@@H]2CCCCC[C@@H]2O)cn1 53751711 572540734 /nfs/dbraw/zinc/54/07/34/572540734.db2.gz CQSNHOWINMLUFO-QWRGUYRKSA-N 0 0 194.278 1.829 10 0 ADAERN O=Cc1cnoc1Cc1ccccn1 74278376 572540805 /nfs/dbraw/zinc/54/08/05/572540805.db2.gz QKFNRNWXWQRABB-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN Cc1[nH]c2cnccc2c1C(=O)C=O 74278298 572540812 /nfs/dbraw/zinc/54/08/12/572540812.db2.gz QBJOTTQOHKDPBC-UHFFFAOYSA-N 0 0 188.186 1.253 10 0 ADAERN CCCC1(O)CN(CC(F)F)C1 84363843 572540814 /nfs/dbraw/zinc/54/08/14/572540814.db2.gz SZWVVIIRMYUUIB-UHFFFAOYSA-N 0 0 179.210 1.098 10 0 ADAERN CC[C@H](C)OC(=O)CC[C@@H](C)O 308058113 572540826 /nfs/dbraw/zinc/54/08/26/572540826.db2.gz VIAHMEKELBNNBC-SFYZADRCSA-N 0 0 174.240 1.489 10 0 ADAERN CCC[C@@H]([NH3+])[C@@H](O)c1nc(C)co1 74283528 572540835 /nfs/dbraw/zinc/54/08/35/572540835.db2.gz YAAINDCGZVWMDZ-HTQZYQBOSA-N 0 0 184.239 1.144 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@](C)(O)C(C)C 238299410 572541180 /nfs/dbraw/zinc/54/11/80/572541180.db2.gz CXSDGXFEBKWQON-AEJSXWLSSA-N 0 0 174.284 1.800 10 0 ADAERN CC[C@@H](C)OC(=O)CC[C@H](C)O 308058112 572540871 /nfs/dbraw/zinc/54/08/71/572540871.db2.gz VIAHMEKELBNNBC-JGVFFNPUSA-N 0 0 174.240 1.489 10 0 ADAERN CC[C@H](CCC[NH3+])CC(=O)[O-] 238299006 572540879 /nfs/dbraw/zinc/54/08/79/572540879.db2.gz DAUWTQDQBAHPMI-SSDOTTSWSA-N 0 0 159.229 1.226 10 0 ADAERN Cc1cc[nH]c1-c1cncc(C[NH3+])n1 74277647 572540890 /nfs/dbraw/zinc/54/08/90/572540890.db2.gz SHKSNRZDOQCJSW-UHFFFAOYSA-N 0 0 188.234 1.239 10 0 ADAERN CC[C@H](CCCNC(C)=O)N=O 238299102 572540926 /nfs/dbraw/zinc/54/09/26/572540926.db2.gz WXZCFZSTBJEBQX-MRVPVSSYSA-N 0 0 172.228 1.448 10 0 ADAERN CCc1cccc(CON)c1OC 238299706 572541524 /nfs/dbraw/zinc/54/15/24/572541524.db2.gz ALUIYIFRODYBCO-UHFFFAOYSA-N 0 0 181.235 1.648 10 0 ADAERN Cc1ncnc(C)c1-c1cc(N)c[nH]1 74277572 572541054 /nfs/dbraw/zinc/54/10/54/572541054.db2.gz GCODXCSUOSZLNT-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN C[C@@H](O)C(=O)OCCCCCF 308058103 572541057 /nfs/dbraw/zinc/54/10/57/572541057.db2.gz VHJBYKPAUNHKAY-SSDOTTSWSA-N 0 0 178.203 1.050 10 0 ADAERN C[C@H](O)C(=O)OCCCCCF 308058104 572541099 /nfs/dbraw/zinc/54/10/99/572541099.db2.gz VHJBYKPAUNHKAY-ZETCQYMHSA-N 0 0 178.203 1.050 10 0 ADAERN N#Cc1ccc2sc(C=O)nc2c1 74278025 572541100 /nfs/dbraw/zinc/54/11/00/572541100.db2.gz JZMUVPHEXSUQRS-UHFFFAOYSA-N 0 0 188.211 1.980 10 0 ADAERN CC[C@H](C)OC(=O)CC[C@H](C)O 308058114 572541125 /nfs/dbraw/zinc/54/11/25/572541125.db2.gz VIAHMEKELBNNBC-YUMQZZPRSA-N 0 0 174.240 1.489 10 0 ADAERN Cc1ccccc1-c1nonc1C=O 74278353 572541132 /nfs/dbraw/zinc/54/11/32/572541132.db2.gz ROGDWTQEFDQMSD-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CC[C@H](C)[C@@H](SCC[NH3+])C(=O)[O-] 238299616 572541158 /nfs/dbraw/zinc/54/11/58/572541158.db2.gz WACPQMYJGMLNMM-NKWVEPMBSA-N 0 0 191.296 1.178 10 0 ADAERN Cc1ccc(C)n1-c1cnc(N)nc1 74277596 572541175 /nfs/dbraw/zinc/54/11/75/572541175.db2.gz JZOJMTNKPUQQIU-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCOC(=O)C(=C1CCCC1)[C@@H](C)O 238299686 572541176 /nfs/dbraw/zinc/54/11/76/572541176.db2.gz ARDJWMROBAUIKL-MRVPVSSYSA-N 0 0 198.262 1.801 10 0 ADAERN CCOC(=O)C(CC)(CC)[C@H](C)O 238297388 572541171 /nfs/dbraw/zinc/54/11/71/572541171.db2.gz VBMLUZFPGAVPAU-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)C(NC(=O)CC)=C(C)C 238299300 572541232 /nfs/dbraw/zinc/54/12/32/572541232.db2.gz IOLYRMZVPNGMLH-UHFFFAOYSA-N 0 0 199.250 1.370 10 0 ADAERN CC1=CCCCC[C@H]1O 196834968 572541254 /nfs/dbraw/zinc/54/12/54/572541254.db2.gz LRUVWBAIIDSYHG-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN CC[C@H](CCCCO)C(=O)OC 238298777 572541255 /nfs/dbraw/zinc/54/12/55/572541255.db2.gz VJQRLTGXOZNUAX-MRVPVSSYSA-N 0 0 174.240 1.348 10 0 ADAERN Cc1ccc(-c2nonc2C=O)cc1 74278348 572541187 /nfs/dbraw/zinc/54/11/87/572541187.db2.gz OKGXACNCIRLOIG-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN O[C@@H]1CCC[C@H]1c1cncc(F)c1 53751837 572541285 /nfs/dbraw/zinc/54/12/85/572541285.db2.gz MGTXSKHLLMHTEB-VHSXEESVSA-N 0 0 181.210 1.849 10 0 ADAERN CCOC(=O)[C@@H](C)Nc1cccnc1 238299356 572541289 /nfs/dbraw/zinc/54/12/89/572541289.db2.gz QJDLUAAKZSDEEF-MRVPVSSYSA-N 0 0 194.234 1.445 10 0 ADAERN Cc1oc(C=O)cc1-c1cncnc1 74278342 572541329 /nfs/dbraw/zinc/54/13/29/572541329.db2.gz FHSRKSNSLMVEEO-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN C=C=C(CO)P(=O)(OC)OC 196837029 572541880 /nfs/dbraw/zinc/54/18/80/572541880.db2.gz CHTDUMIUYYFFEN-UHFFFAOYSA-N 0 0 178.124 1.133 10 0 ADAERN Cc1cccc(C)c1-n1cc(N)nn1 74277437 572541426 /nfs/dbraw/zinc/54/14/26/572541426.db2.gz ZKXCZNATAVKAQC-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN C/C=C/[C@H](C)/C=C\CO 307796698 572541430 /nfs/dbraw/zinc/54/14/30/572541430.db2.gz FCYYMKARZCGSOA-MDMWOVHLSA-N 0 0 126.199 1.747 10 0 ADAERN CCCC1(O)CN(Cc2ccco2)C1 84374841 572541454 /nfs/dbraw/zinc/54/14/54/572541454.db2.gz SVNRPEHNDFMRDD-UHFFFAOYSA-N 0 0 195.262 1.626 10 0 ADAERN CC[C@H](C)[C@@H](OC(C)=O)C(N)=S 238299557 572541503 /nfs/dbraw/zinc/54/15/03/572541503.db2.gz UKOFSLXFCMHNKF-CAHLUQPWSA-N 0 0 189.280 1.250 10 0 ADAERN Cn1cc([C@H]2CCCCC[C@@H]2O)cn1 53751712 572541507 /nfs/dbraw/zinc/54/15/07/572541507.db2.gz CQSNHOWINMLUFO-MNOVXSKESA-N 0 0 194.278 1.829 10 0 ADAERN Nc1c[nH]c(-c2cn3ccnc3o2)c1 74278239 572541528 /nfs/dbraw/zinc/54/15/28/572541528.db2.gz SLHZTHJUDCKXLG-UHFFFAOYSA-N 0 0 188.190 1.505 10 0 ADAERN CC(=O)[C@@H]1CCCc2onc(C)c21 196834143 572541752 /nfs/dbraw/zinc/54/17/52/572541752.db2.gz XEVOEDQPGMAIMO-QMMMGPOBSA-N 0 0 179.219 1.992 10 0 ADAERN CC[C@H](CCCC(C)=O)NC(C)=O 238298421 572541560 /nfs/dbraw/zinc/54/15/60/572541560.db2.gz MVGJSVIYKGOMQF-SNVBAGLBSA-N 0 0 185.267 1.660 10 0 ADAERN CO[C@H]1O[C@H](CO)c2ccccc21 196834849 572541582 /nfs/dbraw/zinc/54/15/82/572541582.db2.gz IMZPJYFAJLSDHA-ZJUUUORDSA-N 0 0 180.203 1.395 10 0 ADAERN CCCC1(O)CN(C(=O)CC(C)C)C1 84362252 572541629 /nfs/dbraw/zinc/54/16/29/572541629.db2.gz BENMPFJYYHKIAX-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN CC(C)C[C@H](O)C[C@@H](C)[C@@H](C)O 87523003 572549166 /nfs/dbraw/zinc/54/91/66/572549166.db2.gz OWXVYUKWHBKKNH-BBBLOLIVSA-N 0 0 174.284 1.800 10 0 ADAERN [NH3+][C@@H](Cc1ccccn1)c1cc[nH]n1 74277481 572541673 /nfs/dbraw/zinc/54/16/73/572541673.db2.gz KCOTWMAIKAXCBL-VIFPVBQESA-N 0 0 188.234 1.047 10 0 ADAERN Cc1ccn(-c2ccc(N)cc2N)n1 74277457 572541713 /nfs/dbraw/zinc/54/17/13/572541713.db2.gz NYGDETJHTLYPEY-UHFFFAOYSA-N 0 0 188.234 1.345 10 0 ADAERN O=Cc1cnc(Cc2cccnc2)o1 74278311 572541717 /nfs/dbraw/zinc/54/17/17/572541717.db2.gz SBROKSYRECRNBV-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN O[C@H]1CCC[C@@H]1c1cncc(F)c1 53751835 572541728 /nfs/dbraw/zinc/54/17/28/572541728.db2.gz MGTXSKHLLMHTEB-ZJUUUORDSA-N 0 0 181.210 1.849 10 0 ADAERN Nc1cccn2c(CC3CC3)nnc12 74277264 572541768 /nfs/dbraw/zinc/54/17/68/572541768.db2.gz CATQJXBHNFDFGO-UHFFFAOYSA-N 0 0 188.234 1.264 10 0 ADAERN Cc1nc(N)cn1Cc1ccncc1 74277326 572541775 /nfs/dbraw/zinc/54/17/75/572541775.db2.gz XOOAENPHHIALDA-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN C/C=C/[C@H](CC)CCC(N)=O 238297999 572541794 /nfs/dbraw/zinc/54/17/94/572541794.db2.gz XCMSONZBDUCOGP-WGAJWPLOSA-N 0 0 155.241 1.854 10 0 ADAERN O[C@H]1CCC[C@H]1c1cncc(F)c1 53751834 572541874 /nfs/dbraw/zinc/54/18/74/572541874.db2.gz MGTXSKHLLMHTEB-UWVGGRQHSA-N 0 0 181.210 1.849 10 0 ADAERN CCOC(=O)C(CC)(CC)[C@@H](C)O 238297363 572541844 /nfs/dbraw/zinc/54/18/44/572541844.db2.gz VBMLUZFPGAVPAU-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)C[C@@H](CCO)C(C)C 238297375 572541854 /nfs/dbraw/zinc/54/18/54/572541854.db2.gz SRSWSHYZNXLHQJ-SECBINFHSA-N 0 0 188.267 1.594 10 0 ADAERN Cc1cc(-c2cccc(N)n2)nn1C 74277604 572541885 /nfs/dbraw/zinc/54/18/85/572541885.db2.gz PSYOUFKJVIKUQN-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC[C@H](C)[C@@H](O)C(C)(C)[C@@H](C)O 238298993 572541916 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C[C@@H](NCCF)c1cncnc1 308057926 572542077 /nfs/dbraw/zinc/54/20/77/572542077.db2.gz VDDVCFKINLHEPP-SSDOTTSWSA-N 0 0 169.203 1.097 10 0 ADAERN CCOC(=O)c1c(C=O)coc1C 238299918 572542127 /nfs/dbraw/zinc/54/21/27/572542127.db2.gz BDLAVXFEWBTQSK-UHFFFAOYSA-N 0 0 182.175 1.577 10 0 ADAERN CCOC(=O)/C(C)=C/C=C/C=C/CO 238299999 572542184 /nfs/dbraw/zinc/54/21/84/572542184.db2.gz GIIXSHMEUGKCEK-KJVLDDSZSA-N 0 0 196.246 1.601 10 0 ADAERN CC[C@H](CCC(=O)OC)C(C)=O 238297727 572542196 /nfs/dbraw/zinc/54/21/96/572542196.db2.gz BICZBWGRGITVDY-MRVPVSSYSA-N 0 0 172.224 1.555 10 0 ADAERN CO[C@H]1O[C@@H](CO)c2ccccc21 196834822 572542201 /nfs/dbraw/zinc/54/22/01/572542201.db2.gz IMZPJYFAJLSDHA-UWVGGRQHSA-N 0 0 180.203 1.395 10 0 ADAERN OC1(c2cccnc2)CCSCC1 84358335 572542202 /nfs/dbraw/zinc/54/22/02/572542202.db2.gz IYTIUUMHJNXQFW-UHFFFAOYSA-N 0 0 195.287 1.796 10 0 ADAERN CCCS(=O)(=O)[C@H](C)CC(C)=O 84362617 572542205 /nfs/dbraw/zinc/54/22/05/572542205.db2.gz AZNZSJNUWKILKH-MRVPVSSYSA-N 0 0 192.280 1.179 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238297666 572542643 /nfs/dbraw/zinc/54/26/43/572542643.db2.gz YPRVMXDWLMSNLJ-BQBZGAKWSA-N 0 0 175.228 1.361 10 0 ADAERN CCCC1(O)CN(C[C@H]2CCCO2)C1 84363296 572542658 /nfs/dbraw/zinc/54/26/58/572542658.db2.gz DYRZTQSTMCEYSJ-SNVBAGLBSA-N 0 0 199.294 1.012 10 0 ADAERN C[C@H]1[C@H](C(=O)OCCF)C1(F)F 308058039 572542662 /nfs/dbraw/zinc/54/26/62/572542662.db2.gz VFUOCBLQLSBGIW-CRCLSJGQSA-N 0 0 182.141 1.400 10 0 ADAERN CCOC(=O)C(=C(C)C)[C@H](C)O 238299724 572542669 /nfs/dbraw/zinc/54/26/69/572542669.db2.gz KGYDBPJTFFHEQS-ZETCQYMHSA-N 0 0 172.224 1.267 10 0 ADAERN CN[C@@H](C)c1nnc([C@@H]2CC2(C)C)o1 234467466 572544631 /nfs/dbraw/zinc/54/46/31/572544631.db2.gz AHXITFFQQSZVBK-BQBZGAKWSA-N 0 0 195.266 1.864 10 0 ADAERN O=C1CCS[C@]2(CCCOC2)C1 74280230 572544982 /nfs/dbraw/zinc/54/49/82/572544982.db2.gz LRSLBNBMTMLUNE-SECBINFHSA-N 0 0 186.276 1.632 10 0 ADAERN CCCC1(O)CN(C(=O)[C@@H](C)CC)C1 84362274 572542803 /nfs/dbraw/zinc/54/28/03/572542803.db2.gz OFCHZXNJTGBNAI-VIFPVBQESA-N 0 0 199.294 1.406 10 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CC[C@H](CCC(=O)[O-])[NH+]1CCCC1 74281284 572545025 /nfs/dbraw/zinc/54/50/25/572545025.db2.gz QRTUWCZYEQDMNI-SECBINFHSA-N 0 0 185.267 1.726 10 0 ADAERN COC(=O)[C@H](O)CC(C)=C(C)C 308057939 572545065 /nfs/dbraw/zinc/54/50/65/572545065.db2.gz VDIGIJRYUOBTEH-MRVPVSSYSA-N 0 0 172.224 1.267 10 0 ADAERN CCOC(=O)[C@@H](C)[C@@H](O)c1ccco1 238300194 572545072 /nfs/dbraw/zinc/54/50/72/572545072.db2.gz OHXBVOLLJDMFML-IONNQARKSA-N 0 0 198.218 1.512 10 0 ADAERN CCOC(=S)C=C(O)C(C)C 238301473 572545074 /nfs/dbraw/zinc/54/50/74/572545074.db2.gz JQCAMBBIDUTZHR-UHFFFAOYSA-N 0 0 174.265 1.966 10 0 ADAERN O=C1CCOC[C@]12CCCSC2 74280237 572545089 /nfs/dbraw/zinc/54/50/89/572545089.db2.gz HRRBLAPSFTUNMD-VIFPVBQESA-N 0 0 186.276 1.489 10 0 ADAERN CC[C@@](CC(C)C)(C(C)=O)C(N)=O 238300802 572545103 /nfs/dbraw/zinc/54/51/03/572545103.db2.gz IZXYCYIRJRMHKQ-SNVBAGLBSA-N 0 0 185.267 1.503 10 0 ADAERN CN1CC[C@@H](CCCCCO)O1 238304963 572545111 /nfs/dbraw/zinc/54/51/11/572545111.db2.gz BJQWYRGFQFTNHU-SECBINFHSA-N 0 0 173.256 1.175 10 0 ADAERN CCOC(=O)[C@@H](C)/C=C/CCO 238300826 572545140 /nfs/dbraw/zinc/54/51/40/572545140.db2.gz QVMFYDYEDLVBBT-JQTRYQTASA-N 0 0 172.224 1.124 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[C@@H]1CC[NH2+]C1 74281263 572545144 /nfs/dbraw/zinc/54/51/44/572545144.db2.gz ZYIYOAYUKODEMD-BDAKNGLRSA-N 0 0 185.267 1.343 10 0 ADAERN C/C=C\[C@H](C)C[C@H](C)O 307799134 572545194 /nfs/dbraw/zinc/54/51/94/572545194.db2.gz GIDOUKNJXPWMLI-QLFXJFTPSA-N 0 0 128.215 1.970 10 0 ADAERN CC(C)[C@@H](O)CC1CCOCC1 53784003 572545206 /nfs/dbraw/zinc/54/52/06/572545206.db2.gz CWBWVBOEADGVGZ-JTQLQIEISA-N 0 0 172.268 1.820 10 0 ADAERN Nc1ccc2c3c([nH]c2c1)CCC3=O 74280600 572545223 /nfs/dbraw/zinc/54/52/23/572545223.db2.gz MZQLFWVZGLXYKR-UHFFFAOYSA-N 0 0 186.214 1.879 10 0 ADAERN CCOC(C)(OCC)C(=O)CC 238303788 572545775 /nfs/dbraw/zinc/54/57/75/572545775.db2.gz GERWAHFOZDMNRC-UHFFFAOYSA-N 0 0 174.240 1.755 10 0 ADAERN Cc1cccc(-n2ccc(C=O)n2)c1 74280627 572545265 /nfs/dbraw/zinc/54/52/65/572545265.db2.gz WFHAPOXRXHZYTM-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN O[C@@H](C[C@@H]1CCCO1)C1CC1 53784728 572545316 /nfs/dbraw/zinc/54/53/16/572545316.db2.gz QLMWEMSUQACMJJ-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN O[C@H](C[C@H]1CCCO1)C1CC1 53784729 572545375 /nfs/dbraw/zinc/54/53/75/572545375.db2.gz QLMWEMSUQACMJJ-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@@H](CCC(=O)[O-])[NH+]1CCCC1 74281283 572545390 /nfs/dbraw/zinc/54/53/90/572545390.db2.gz QRTUWCZYEQDMNI-VIFPVBQESA-N 0 0 185.267 1.726 10 0 ADAERN O=Cc1c[nH]cc1Cc1ccccn1 74280604 572545394 /nfs/dbraw/zinc/54/53/94/572545394.db2.gz JCXQCVJHSOLWLY-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN O[C@@H](C[C@H]1CCCO1)C1CC1 53784727 572545452 /nfs/dbraw/zinc/54/54/52/572545452.db2.gz QLMWEMSUQACMJJ-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN CCOC(=O)c1c[nH]cc1OC 238303213 572545492 /nfs/dbraw/zinc/54/54/92/572545492.db2.gz XSLNGPUNEOODGF-UHFFFAOYSA-N 0 0 169.180 1.200 10 0 ADAERN CCOC(C)(CCCO)OCC 238303706 572545497 /nfs/dbraw/zinc/54/54/97/572545497.db2.gz KITCBRLPEZQFAY-UHFFFAOYSA-N 0 0 176.256 1.548 10 0 ADAERN CC(C)C/C=C\[C@H](C)O 205114609 572547629 /nfs/dbraw/zinc/54/76/29/572547629.db2.gz WZSFWDMBHKLHBI-HORMHSFOSA-N 0 0 128.215 1.970 10 0 ADAERN CCOC(=O)C1=C(C)NC[C@@H]1CC 238303224 572545517 /nfs/dbraw/zinc/54/55/17/572545517.db2.gz KSHXLUBRQYXQBE-QMMMGPOBSA-N 0 0 183.251 1.453 10 0 ADAERN Cc1ncncc1-c1cccc(N)n1 74280548 572545519 /nfs/dbraw/zinc/54/55/19/572545519.db2.gz IRBZRIRVRJXNAE-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN [NH3+][C@@H](CCCCC(=O)[O-])CC1CC1 74281271 572545523 /nfs/dbraw/zinc/54/55/23/572545523.db2.gz OHSPMQAAJQCHQP-VIFPVBQESA-N 0 0 185.267 1.759 10 0 ADAERN CC[C@H](CCO)n1cncc1C 238303452 572545525 /nfs/dbraw/zinc/54/55/25/572545525.db2.gz YETNUQRAOVUCFE-SECBINFHSA-N 0 0 168.240 1.525 10 0 ADAERN CC[C@H](O)/C(=C/c1ccccc1)CO 238303034 572545542 /nfs/dbraw/zinc/54/55/42/572545542.db2.gz CPYIVOQXXBGQEE-OBIHZWKSSA-N 0 0 192.258 1.833 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@H]1CC[N@H+](C)C1 74281260 572545570 /nfs/dbraw/zinc/54/55/70/572545570.db2.gz XKIVYXWJRWRAPC-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN c1cc(CNCc2cnco2)ccn1 84413547 572545575 /nfs/dbraw/zinc/54/55/75/572545575.db2.gz VHOMFWAMOHXWSS-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN CCC[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1C 74281241 572545579 /nfs/dbraw/zinc/54/55/79/572545579.db2.gz MVCOAXQLOGFUDZ-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccnn1-c1ccccc1C=O 74280610 572546531 /nfs/dbraw/zinc/54/65/31/572546531.db2.gz MSZXBLPTAKSTKN-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN CON(C)C(=O)/C=C\c1ccc(C)o1 214242275 572545594 /nfs/dbraw/zinc/54/55/94/572545594.db2.gz DENUTYOUAVTDGJ-SREVYHEPSA-N 0 0 195.218 1.621 10 0 ADAERN CC(C)c1ncc(C(=O)CN)s1 74282889 572545603 /nfs/dbraw/zinc/54/56/03/572545603.db2.gz LPHFFRCALWNVDG-UHFFFAOYSA-N 0 0 184.264 1.408 10 0 ADAERN COCC[C@H](O)c1ccsc1 53783188 572545613 /nfs/dbraw/zinc/54/56/13/572545613.db2.gz MTBICJCATZYRFO-QMMMGPOBSA-N 0 0 172.249 1.818 10 0 ADAERN CC[C@H](CCO)c1ccccn1 238303408 572545662 /nfs/dbraw/zinc/54/56/62/572545662.db2.gz OOFBBHLBDNWWDY-SECBINFHSA-N 0 0 165.236 1.958 10 0 ADAERN CCCS(=O)(=O)N[C@H]1CC[C@@H]1C 308057947 572545678 /nfs/dbraw/zinc/54/56/78/572545678.db2.gz VDNPZLGRPFYWCF-YUMQZZPRSA-N 0 0 191.296 1.114 10 0 ADAERN CCOC(=O)c1c[nH]cc1OCC 238303232 572545702 /nfs/dbraw/zinc/54/57/02/572545702.db2.gz JVOMGPNORQGWFP-UHFFFAOYSA-N 0 0 183.207 1.590 10 0 ADAERN NN1CCOC[C@H]1C1CCCCC1 74282819 572545704 /nfs/dbraw/zinc/54/57/04/572545704.db2.gz MIYDZJSXOKBHIX-JTQLQIEISA-N 0 0 184.283 1.141 10 0 ADAERN CCO[C@@H](C)C[C@@H](CCO)OCC 238305590 572545754 /nfs/dbraw/zinc/54/57/54/572545754.db2.gz OYSVRRIKKGOMHX-VHSXEESVSA-N 0 0 190.283 1.589 10 0 ADAERN CCOC(=O)C1=C(C)NC[C@H]1CC 238303263 572545787 /nfs/dbraw/zinc/54/57/87/572545787.db2.gz KSHXLUBRQYXQBE-MRVPVSSYSA-N 0 0 183.251 1.453 10 0 ADAERN NN1CCOC[C@@H]1C1CCCCC1 74282821 572545795 /nfs/dbraw/zinc/54/57/95/572545795.db2.gz MIYDZJSXOKBHIX-SNVBAGLBSA-N 0 0 184.283 1.141 10 0 ADAERN CC[C@@H](CC(=O)[O-])[C@@H]1CC[N@H+](C)C1 74281254 572545800 /nfs/dbraw/zinc/54/58/00/572545800.db2.gz XKIVYXWJRWRAPC-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN CC[C@H](C(N)=O)C(=O)[C@@H]1CC=CCC1 238302920 572545870 /nfs/dbraw/zinc/54/58/70/572545870.db2.gz DBXBZWIPZGJFIR-BDAKNGLRSA-N 0 0 195.262 1.423 10 0 ADAERN CC[C@@H]1CCC(=O)N1CCCCO 238303210 572545898 /nfs/dbraw/zinc/54/58/98/572545898.db2.gz DMJLYZCVJPDAQD-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN CC[C@H](C[NH3+])[C@H](CC)C(=O)[O-] 238305542 572545914 /nfs/dbraw/zinc/54/59/14/572545914.db2.gz VQGDIOJFRSJPCI-RQJHMYQMSA-N 0 0 159.229 1.082 10 0 ADAERN CC1(C)CCC(N(O)C(N)=O)CC1 74280406 572545927 /nfs/dbraw/zinc/54/59/27/572545927.db2.gz ANUOZBLQYDXDPN-UHFFFAOYSA-N 0 0 186.255 1.725 10 0 ADAERN C=Cc1c[nH]cc1C(=O)OCC 238303175 572545939 /nfs/dbraw/zinc/54/59/39/572545939.db2.gz HFSUBFUOYKVZAK-UHFFFAOYSA-N 0 0 165.192 1.834 10 0 ADAERN O=Cc1cc(Cc2ccccc2)n[nH]1 74280617 572545975 /nfs/dbraw/zinc/54/59/75/572545975.db2.gz QRLZOGLTPSKYKL-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN Cc1cccc(-c2ccc(N)nn2)n1 74280555 572545986 /nfs/dbraw/zinc/54/59/86/572545986.db2.gz BFIMLPZDARHXJE-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccccc1-n1ccc(C=O)n1 74280629 572545988 /nfs/dbraw/zinc/54/59/88/572545988.db2.gz KEBZOZRYGUOOEH-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN Cc1ccc(-c2ncncc2N)nc1 74280530 572546062 /nfs/dbraw/zinc/54/60/62/572546062.db2.gz WJVKWEMKXLBKJC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[C@H]1CC[C@H](COC(C)=O)O1 238309761 572547641 /nfs/dbraw/zinc/54/76/41/572547641.db2.gz QCQRELGGPMEJBE-DTWKUNHWSA-N 0 0 172.224 1.507 10 0 ADAERN CCCc1nc(CC(C)C)cc(=O)[nH]1 87522482 572547642 /nfs/dbraw/zinc/54/76/42/572547642.db2.gz WLRZDGWVLKXQGW-UHFFFAOYSA-N 0 0 194.278 1.921 10 0 ADAERN CCO[P@@](C)(=O)C[C@H](C)C(N)=O 238309009 572547645 /nfs/dbraw/zinc/54/76/45/572547645.db2.gz OFDQRVUTBSPODH-PWCHPLFNSA-N 0 0 193.183 1.052 10 0 ADAERN Cc1nc2cc3c(ccn3N)cc2[nH]1 74280510 572546096 /nfs/dbraw/zinc/54/60/96/572546096.db2.gz OCPVIZKJHSWUNX-UHFFFAOYSA-N 0 0 186.218 1.540 10 0 ADAERN C[C@H](O)C[C@@H](C)C[C@H]1CCCO1 251238690 572546135 /nfs/dbraw/zinc/54/61/35/572546135.db2.gz RWCNOHNSFBQRPQ-KXUCPTDWSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H]1Nc2cccnc2-n2cncc21 74280503 572546182 /nfs/dbraw/zinc/54/61/82/572546182.db2.gz CWYQPXMOTFDVGI-ZETCQYMHSA-N 0 0 186.218 1.754 10 0 ADAERN [NH3+][C@H](CCCCC(=O)[O-])CC1CC1 74281269 572546193 /nfs/dbraw/zinc/54/61/93/572546193.db2.gz OHSPMQAAJQCHQP-SECBINFHSA-N 0 0 185.267 1.759 10 0 ADAERN c1cncc(CNCc2cnco2)c1 84413554 572546207 /nfs/dbraw/zinc/54/62/07/572546207.db2.gz RAEZVJNDYKXKCE-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN CCC[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1C 74281239 572546298 /nfs/dbraw/zinc/54/62/98/572546298.db2.gz MVCOAXQLOGFUDZ-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)C[C@@H](O)C[C@H](C)[C@@H](C)O 87523009 572547661 /nfs/dbraw/zinc/54/76/61/572547661.db2.gz OWXVYUKWHBKKNH-IVZWLZJFSA-N 0 0 174.284 1.800 10 0 ADAERN O=Cc1cc2c([nH]1)[nH]c1nccnc12 74280706 572546377 /nfs/dbraw/zinc/54/63/77/572546377.db2.gz UPDUPXZSSXYDIB-UHFFFAOYSA-N 0 0 186.174 1.252 10 0 ADAERN CCOC(=O)NC(OCC)OCC 238309296 572547663 /nfs/dbraw/zinc/54/76/63/572547663.db2.gz AZAXKYXJOXIWBI-UHFFFAOYSA-N 0 0 191.227 1.089 10 0 ADAERN Nc1ccc(OC2CC2)c(F)c1N 713282427 572546403 /nfs/dbraw/zinc/54/64/03/572546403.db2.gz AEBVGUPXUALRCH-UHFFFAOYSA-N 0 0 182.198 1.531 10 0 ADAERN COCC[C@@H](O)c1ccsc1 53783189 572546409 /nfs/dbraw/zinc/54/64/09/572546409.db2.gz MTBICJCATZYRFO-MRVPVSSYSA-N 0 0 172.249 1.818 10 0 ADAERN CCC[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C 74281235 572546339 /nfs/dbraw/zinc/54/63/39/572546339.db2.gz MVCOAXQLOGFUDZ-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN c1ccc(CNCc2cnco2)nc1 84413365 572546345 /nfs/dbraw/zinc/54/63/45/572546345.db2.gz PEFAJVWNGHBEKF-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN CCO[C@@H](C)C[C@H](CCO)OCC 238305720 572546494 /nfs/dbraw/zinc/54/64/94/572546494.db2.gz OYSVRRIKKGOMHX-UWVGGRQHSA-N 0 0 190.283 1.589 10 0 ADAERN Nc1c([C@H]2CCSC2)o[nH]c1=O 74280490 572546539 /nfs/dbraw/zinc/54/65/39/572546539.db2.gz RAUAZJYWBKVSTI-BYPYZUCNSA-N 0 0 186.236 1.183 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)C1CC1 53784730 572546543 /nfs/dbraw/zinc/54/65/43/572546543.db2.gz QLMWEMSUQACMJJ-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@H](O)CCC(=O)OC(C)(C)C 238306487 572546659 /nfs/dbraw/zinc/54/66/59/572546659.db2.gz JGLBPBIRATXCKR-QMMMGPOBSA-N 0 0 188.267 1.879 10 0 ADAERN Cc1ccc(-n2cncc2C=O)cc1 74280574 572546694 /nfs/dbraw/zinc/54/66/94/572546694.db2.gz OOWXXYFKPIVUMU-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN CN(C)C(=O)SC/C=C/CCO 238309265 572546700 /nfs/dbraw/zinc/54/67/00/572546700.db2.gz LAOAPFCIBNGFFY-HWKANZROSA-N 0 0 189.280 1.340 10 0 ADAERN Cc1ncc(-c2ccc(N)nc2)cn1 74280550 572546731 /nfs/dbraw/zinc/54/67/31/572546731.db2.gz UQPUJWLNQBENPX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN COC[C@H](O)CC[C@H](O)CC(C)C 87523361 572548388 /nfs/dbraw/zinc/54/83/88/572548388.db2.gz ZPKLTLOUBRZBRM-VHSXEESVSA-N 0 0 190.283 1.181 10 0 ADAERN CC[C@H](O)[C@@H](C)COC(C)C 238309902 572546833 /nfs/dbraw/zinc/54/68/33/572546833.db2.gz IJPIBUPBJLBDTR-IUCAKERBSA-N 0 0 160.257 1.818 10 0 ADAERN CC[C@H](CO)Oc1cc(C)oc(=O)c1 238310499 572546851 /nfs/dbraw/zinc/54/68/51/572546851.db2.gz ZDDUCQKAUAORIK-MRVPVSSYSA-N 0 0 198.218 1.098 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@@H]1CC[N@H+](C)C1 74281257 572546880 /nfs/dbraw/zinc/54/68/80/572546880.db2.gz XKIVYXWJRWRAPC-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN CC[C@]1(CCCO)CO[C@@H](OC)C1 238309721 572546912 /nfs/dbraw/zinc/54/69/12/572546912.db2.gz RUMXDUHEHBFZKR-NXEZZACHSA-N 0 0 188.267 1.548 10 0 ADAERN COCCC[C@@H](O)C1CC1 53784664 572546914 /nfs/dbraw/zinc/54/69/14/572546914.db2.gz VCYGCNPJZFOJPB-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN CCC[C@@H]([NH3+])[C@](C)(CC)C(=O)[O-] 308060468 572546935 /nfs/dbraw/zinc/54/69/35/572546935.db2.gz WFEPDLJADCFQGD-APPZFPTMSA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@H](O)C/C=C/COC(=O)OC 238308973 572546936 /nfs/dbraw/zinc/54/69/36/572546936.db2.gz WZYMSJFHFLKHST-ZJELKQJVSA-N 0 0 188.223 1.487 10 0 ADAERN CN(CCO)Sc1ccccc1 238312865 572546959 /nfs/dbraw/zinc/54/69/59/572546959.db2.gz NDTAOILTHHOZPZ-UHFFFAOYSA-N 0 0 183.276 1.618 10 0 ADAERN CCO[C@](C)(O)CCC(C)=O 238306004 572546972 /nfs/dbraw/zinc/54/69/72/572546972.db2.gz REAORMAUULVQHZ-QMMMGPOBSA-N 0 0 160.213 1.101 10 0 ADAERN CC[C@H](CNC(C)=O)Cc1ccco1 238306226 572547059 /nfs/dbraw/zinc/54/70/59/572547059.db2.gz MIGNBIPPZLBIGL-JTQLQIEISA-N 0 0 195.262 1.984 10 0 ADAERN C[C@H](O)C[C@H](C)C[C@H]1CCCO1 251238693 572547061 /nfs/dbraw/zinc/54/70/61/572547061.db2.gz RWCNOHNSFBQRPQ-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C)CC(=O)COC(C)=O 238308874 572547080 /nfs/dbraw/zinc/54/70/80/572547080.db2.gz DRJAMQRFCRICGS-ZETCQYMHSA-N 0 0 172.224 1.555 10 0 ADAERN Cc1cccc(O[C@@H]2CCOC2)c1N 69606745 572547081 /nfs/dbraw/zinc/54/70/81/572547081.db2.gz HEJUHKVWQXGPIL-SECBINFHSA-N 0 0 193.246 1.745 10 0 ADAERN CNN(C)[C@@H](c1ccccc1)[C@@H](C)O 238306503 572547095 /nfs/dbraw/zinc/54/70/95/572547095.db2.gz PGAJKGHDUMJJGE-MWLCHTKSSA-N 0 0 194.278 1.175 10 0 ADAERN CC[C@H](O)Cc1ccccc1CCO 238309078 572547161 /nfs/dbraw/zinc/54/71/61/572547161.db2.gz WMCOPQJYEALWBA-LBPRGKRZSA-N 0 0 194.274 1.535 10 0 ADAERN Cc1cc2c(cc1N)CC(=O)CC2 714014876 572547169 /nfs/dbraw/zinc/54/71/69/572547169.db2.gz IKVGAFWVWZZSHB-UHFFFAOYSA-N 0 0 175.231 1.635 10 0 ADAERN CCO[C@@H](C)OCC[C@H](C)O 238306439 572547181 /nfs/dbraw/zinc/54/71/81/572547181.db2.gz NHOGZOJGEBQDLX-JGVFFNPUSA-N 0 0 162.229 1.156 10 0 ADAERN CCOC(OCC)[C@H](C)[C@@H](C)O 238312648 572547262 /nfs/dbraw/zinc/54/72/62/572547262.db2.gz FUHIMEPQDCUQDD-HTQZYQBOSA-N 0 0 176.256 1.402 10 0 ADAERN Nc1cnoc1[C@H]1CCCSC1 74283105 572547308 /nfs/dbraw/zinc/54/73/08/572547308.db2.gz QIXKDRXSRUMNNS-LURJTMIESA-N 0 0 184.264 1.867 10 0 ADAERN CCC[C@H](C)C[C@@H](O)C(=O)OC 84379136 572547371 /nfs/dbraw/zinc/54/73/71/572547371.db2.gz 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CCC[C@@H](OC1CC1)C(=O)OCC 713295922 572573298 /nfs/dbraw/zinc/57/32/98/572573298.db2.gz OUQGUMNFRKFUGA-SECBINFHSA-N 0 0 186.251 1.897 10 0 ADAERN CC(C)(ON)c1ccccc1 71617525 572571219 /nfs/dbraw/zinc/57/12/19/572571219.db2.gz FOEUYWGRXCBVHY-UHFFFAOYSA-N 0 0 151.209 1.812 10 0 ADAERN Fc1nccnc1OC[C@H]1CCOC1 402635533 572571249 /nfs/dbraw/zinc/57/12/49/572571249.db2.gz AFLXHCGFTTWACP-ZETCQYMHSA-N 0 0 198.197 1.031 10 0 ADAERN CCn1ncnc1C[C@@H](O)C1(C)CC1 87549692 572571252 /nfs/dbraw/zinc/57/12/52/572571252.db2.gz OUYQTLHIGNCBFW-MRVPVSSYSA-N 0 0 195.266 1.002 10 0 ADAERN CC(C)[C@@H]1C[N@H+](C)CC[C@H]1C(=O)[O-] 251436351 572571253 /nfs/dbraw/zinc/57/12/53/572571253.db2.gz UGRVOXRDELPRDL-BDAKNGLRSA-N 0 0 185.267 1.295 10 0 ADAERN C/C=C/[C@@H](O)CCCC(=O)OC 238334427 572571255 /nfs/dbraw/zinc/57/12/55/572571255.db2.gz QXUKUHLDSPGWCB-RYEJSQLPSA-N 0 0 172.224 1.267 10 0 ADAERN CCOC(=O)C(F)(F)CF 71614744 572571351 /nfs/dbraw/zinc/57/13/51/572571351.db2.gz YIGVAYHXJPAYMR-UHFFFAOYSA-N 0 0 156.103 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/nfs/dbraw/zinc/57/24/95/572572495.db2.gz GOFOYOIQORWZBT-SGCHEPSHSA-N 0 0 179.263 1.867 10 0 ADAERN COC[C@H](O)c1c(F)cccc1F 69758979 572572507 /nfs/dbraw/zinc/57/25/07/572572507.db2.gz QTULTDZATKFLHG-QMMMGPOBSA-N 0 0 188.173 1.645 10 0 ADAERN CCC[C@@H](C)NC(=O)Cn1cccc1 84728278 572572557 /nfs/dbraw/zinc/57/25/57/572572557.db2.gz PNTYVGJRARINKL-SNVBAGLBSA-N 0 0 194.278 1.793 10 0 ADAERN CCn1cc(C[C@H](O)C2(C)CC2)cn1 87550271 572572559 /nfs/dbraw/zinc/57/25/59/572572559.db2.gz LIQFFKCJFKEFFC-JTQLQIEISA-N 0 0 194.278 1.607 10 0 ADAERN Cc1cccc2c1O[C@@H](CO)CN2 107126710 572572617 /nfs/dbraw/zinc/57/26/17/572572617.db2.gz LYWQWBVOIXRSIX-MRVPVSSYSA-N 0 0 179.219 1.160 10 0 ADAERN O=C(OC1CC1)c1ccnc(F)c1F 713297237 572572682 /nfs/dbraw/zinc/57/26/82/572572682.db2.gz VHQWXNILIMFDIZ-UHFFFAOYSA-N 0 0 199.156 1.679 10 0 ADAERN COC(C[C@@H](O)C1(C)CC1)OC 238339767 572572713 /nfs/dbraw/zinc/57/27/13/572572713.db2.gz IXHDYFHRQOTJGK-SSDOTTSWSA-N 0 0 174.240 1.156 10 0 ADAERN O=C(OC1CC1)c1cccc(F)n1 713295130 572572725 /nfs/dbraw/zinc/57/27/25/572572725.db2.gz MFYMYTJKMOBQPZ-UHFFFAOYSA-N 0 0 181.166 1.540 10 0 ADAERN CC(C)NCc1nc(C2(C)CC2)no1 87548381 572572749 /nfs/dbraw/zinc/57/27/49/572572749.db2.gz VQUATLJNJSMLJN-UHFFFAOYSA-N 0 0 195.266 1.619 10 0 ADAERN COC(=O)c1cnn(CC(C)(C)C)c1 238335510 572572755 /nfs/dbraw/zinc/57/27/55/572572755.db2.gz AIGDIWSHZPOHAO-UHFFFAOYSA-N 0 0 196.250 1.716 10 0 ADAERN O=C(OC1CC1)c1cncc(Cl)n1 713296749 572572829 /nfs/dbraw/zinc/57/28/29/572572829.db2.gz SAJCAQTUSPQBBZ-UHFFFAOYSA-N 0 0 198.609 1.449 10 0 ADAERN O=C1C=CCCCCCN1 307831713 572572862 /nfs/dbraw/zinc/57/28/62/572572862.db2.gz GRHCQRATEPHQAW-UHFFFAOYSA-N 0 0 139.198 1.233 10 0 ADAERN CN[C@H](C)c1nnc([C@@H](N)C(C)C)o1 238339968 572572948 /nfs/dbraw/zinc/57/29/48/572572948.db2.gz JJHKVWFNKUEIOB-RQJHMYQMSA-N 0 0 198.270 1.006 10 0 ADAERN COC(=O)c1ccn(CC2CCC2)n1 584906078 572573065 /nfs/dbraw/zinc/57/30/65/572573065.db2.gz UMYVEKYFJUMAGW-UHFFFAOYSA-N 0 0 194.234 1.470 10 0 ADAERN CC(C)C[C@H]1C[N@H+](C)C[C@H]1C(=O)[O-] 251447843 572573091 /nfs/dbraw/zinc/57/30/91/572573091.db2.gz WPHWTVJWHXVYQM-DTWKUNHWSA-N 0 0 185.267 1.295 10 0 ADAERN CCn1ccnc1CC(=O)C1(C)CC1 87549384 572573097 /nfs/dbraw/zinc/57/30/97/572573097.db2.gz HFVVLPBSWPULJK-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN Cc1cnc(OC2CC2)cc1N 713290565 572573197 /nfs/dbraw/zinc/57/31/97/572573197.db2.gz HOKLNPUYJAPZOQ-UHFFFAOYSA-N 0 0 164.208 1.513 10 0 ADAERN OCc1cc(F)cnc1OC1CC1 713290637 572573219 /nfs/dbraw/zinc/57/32/19/572573219.db2.gz HVVNOTOFCIELPQ-UHFFFAOYSA-N 0 0 183.182 1.254 10 0 ADAERN CC[C@]1(C)[C@H](O)C[C@H]1OC1CC1 713290921 572573252 /nfs/dbraw/zinc/57/32/52/572573252.db2.gz MPBMIYNMWPNBNG-OPRDCNLKSA-N 0 0 170.252 1.715 10 0 ADAERN CCn1ncnc1C[C@H](O)C1(C)CC1 87549690 572573265 /nfs/dbraw/zinc/57/32/65/572573265.db2.gz OUYQTLHIGNCBFW-QMMMGPOBSA-N 0 0 195.266 1.002 10 0 ADAERN COC(=O)c1cncc(OCCF)c1 238334408 572573315 /nfs/dbraw/zinc/57/33/15/572573315.db2.gz ZOZWBVSXCQTZQZ-UHFFFAOYSA-N 0 0 199.181 1.217 10 0 ADAERN O=C([O-])[C@H]1[C@H]2[C@@H](C3CCCC3)[NH2+]C[C@H]21 251425994 572573320 /nfs/dbraw/zinc/57/33/20/572573320.db2.gz SVIPRWKTJNWOMQ-UTINFBMNSA-N 0 0 195.262 1.095 10 0 ADAERN Clc1cnc(COC2CC2)cn1 713290891 572573344 /nfs/dbraw/zinc/57/33/44/572573344.db2.gz MJSJWVNARLDYLJ-UHFFFAOYSA-N 0 0 184.626 1.809 10 0 ADAERN CCC[C@@H](N)c1nc(C2(C)CC2)no1 87548477 572573346 /nfs/dbraw/zinc/57/33/46/572573346.db2.gz CWBWDUQJILBFQN-SSDOTTSWSA-N 0 0 195.266 1.921 10 0 ADAERN CC(C)C[C@H]1CC[N@H+](C)C[C@H]1C(=O)[O-] 251458678 572573353 /nfs/dbraw/zinc/57/33/53/572573353.db2.gz YLCKPTHMKKOOIJ-NXEZZACHSA-N 0 0 199.294 1.685 10 0 ADAERN CCn1ccnc1C[C@@H](O)C1(C)CC1 87550193 572573355 /nfs/dbraw/zinc/57/33/55/572573355.db2.gz RTEISEKSYJYDQJ-SECBINFHSA-N 0 0 194.278 1.607 10 0 ADAERN O=C([O-])C[C@]1([NH2+]C2CC2)CC[C@H]2C[C@H]21 251420361 572573397 /nfs/dbraw/zinc/57/33/97/572573397.db2.gz SEAKOFACKPGMTF-JVUFJMBOSA-N 0 0 195.262 1.382 10 0 ADAERN COC(CO)(OC)C1CCCCC1 238338960 572573412 /nfs/dbraw/zinc/57/34/12/572573412.db2.gz SILNKMGOZIDKQH-UHFFFAOYSA-N 0 0 188.267 1.548 10 0 ADAERN C[C@H](F)CCOC(=O)[C@@H]1C[C@H]1C 308064809 572573421 /nfs/dbraw/zinc/57/34/21/572573421.db2.gz YBXIMXXKNWVZSY-GJMOJQLCSA-N 0 0 174.215 1.934 10 0 ADAERN CCC[C@H](C)NC(=O)Cn1cccc1 84728281 572573425 /nfs/dbraw/zinc/57/34/25/572573425.db2.gz PNTYVGJRARINKL-JTQLQIEISA-N 0 0 194.278 1.793 10 0 ADAERN CCCc1nc(Cn2cccc2)no1 84728316 572573428 /nfs/dbraw/zinc/57/34/28/572573428.db2.gz KHSVVXGLJHTJSP-UHFFFAOYSA-N 0 0 191.234 1.872 10 0 ADAERN Cc1cccc2c1NC[C@@H](CO)O2 107126717 572573443 /nfs/dbraw/zinc/57/34/43/572573443.db2.gz JZLHYUUJGYRNBK-QMMMGPOBSA-N 0 0 179.219 1.160 10 0 ADAERN Nc1c(Cl)ncnc1OC1CC1 713292319 572573523 /nfs/dbraw/zinc/57/35/23/572573523.db2.gz YJHGGWCMCDJNLL-UHFFFAOYSA-N 0 0 185.614 1.253 10 0 ADAERN CO/C=C\[C@@H]1C[C@H]1CCO 307829315 572573485 /nfs/dbraw/zinc/57/34/85/572573485.db2.gz JDQYNYQACFMBND-IZOSAOGQSA-N 0 0 142.198 1.165 10 0 ADAERN Cc1cccc2c1NC[C@H](CO)O2 107126714 572573500 /nfs/dbraw/zinc/57/35/00/572573500.db2.gz JZLHYUUJGYRNBK-MRVPVSSYSA-N 0 0 179.219 1.160 10 0 ADAERN Cc1nc(C[NH2+][C@@H]2CC[C@@H]2C)n(C)n1 689541137 572573580 /nfs/dbraw/zinc/57/35/80/572573580.db2.gz WRSPHFIQMJCWCL-IONNQARKSA-N 0 0 194.282 1.012 10 0 ADAERN Cc1cccc2c1N[C@@H](CO)CO2 107126741 572573695 /nfs/dbraw/zinc/57/36/95/572573695.db2.gz AZULZPKKKSPRJU-QMMMGPOBSA-N 0 0 179.219 1.160 10 0 ADAERN CC[C@H](NC)c1nc(C2(C)CC2)no1 87548421 572573746 /nfs/dbraw/zinc/57/37/46/572573746.db2.gz YLAQPOHIKOEDCW-ZETCQYMHSA-N 0 0 195.266 1.792 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CCC[N@@H+]2CCC[C@@H]12 251439124 572573749 /nfs/dbraw/zinc/57/37/49/572573749.db2.gz ANLPSWQXXLJVEL-AEJSXWLSSA-N 0 0 197.278 1.582 10 0 ADAERN COC(CO)(OC)c1ccc(C)cc1 238338982 572573751 /nfs/dbraw/zinc/57/37/51/572573751.db2.gz BXWASMOYCGVTRB-UHFFFAOYSA-N 0 0 196.246 1.433 10 0 ADAERN CC[C@@H]1C[C@@H](C)[NH2+]C[C@H]1C(=O)[O-] 251459051 572573766 /nfs/dbraw/zinc/57/37/66/572573766.db2.gz APPPRYIKGUUXNG-BWZBUEFSSA-N 0 0 171.240 1.095 10 0 ADAERN CC/C=C\[C@@H]1CSC(=O)N1 307828290 572573828 /nfs/dbraw/zinc/57/38/28/572573828.db2.gz NVEVOXCUNALGHX-KGJQDRRLSA-N 0 0 157.238 1.778 10 0 ADAERN CC(C)[C@@H]1CC[N@H+](C)C[C@H]1C(=O)[O-] 251385647 572573830 /nfs/dbraw/zinc/57/38/30/572573830.db2.gz IOPNXMLEZOBBIN-DTWKUNHWSA-N 0 0 185.267 1.295 10 0 ADAERN COCCCCc1cc[nH]c1 238335330 572573856 /nfs/dbraw/zinc/57/38/56/572573856.db2.gz PJVPLJYOHYYXHR-UHFFFAOYSA-N 0 0 153.225 1.984 10 0 ADAERN CO[C@H](C)CC1(C(C)=O)CC1 234767203 572573900 /nfs/dbraw/zinc/57/39/00/572573900.db2.gz QSEOCMPJNNMORT-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@@H]1CC[N@H+](C[C@H](C(=O)[O-])C2CC2)C1 397400872 572573940 /nfs/dbraw/zinc/57/39/40/572573940.db2.gz MZJMQUOZIHXTQA-SCZZXKLOSA-N 0 0 197.278 1.439 10 0 ADAERN Nc1nnc(N(CC2CC2)C2CC2)o1 236394914 572573952 /nfs/dbraw/zinc/57/39/52/572573952.db2.gz FHYZSAJGCVUITO-UHFFFAOYSA-N 0 0 194.238 1.031 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@@H]1OC1CC1 713290917 572573960 /nfs/dbraw/zinc/57/39/60/572573960.db2.gz MPBMIYNMWPNBNG-LPEHRKFASA-N 0 0 170.252 1.715 10 0 ADAERN CC(=O)OCC(C)(C)[C@@H](O)C(C)C 114583450 572573992 /nfs/dbraw/zinc/57/39/92/572573992.db2.gz KAHUXVJQHAJBST-VIFPVBQESA-N 0 0 188.267 1.593 10 0 ADAERN CCCn1[nH]c2ccc(F)cc2c1=O 107086475 572574003 /nfs/dbraw/zinc/57/40/03/572574003.db2.gz KYBBMRGGLPPSNI-UHFFFAOYSA-N 0 0 194.209 1.879 10 0 ADAERN CNc1ncccc1COC1CC1 713287907 572574208 /nfs/dbraw/zinc/57/42/08/572574208.db2.gz QVLUYBUHYPVTCX-UHFFFAOYSA-N 0 0 178.235 1.802 10 0 ADAERN C=CC(=O)NCC/C=C\C 307831293 572574209 /nfs/dbraw/zinc/57/42/09/572574209.db2.gz VTOPHKDWRLXLAS-HYXAFXHYSA-N 0 0 139.198 1.255 10 0 ADAERN Cc1cc(C)c(CO)c(OC2CC2)n1 713292189 572574225 /nfs/dbraw/zinc/57/42/25/572574225.db2.gz VKUZFQYJWHRPGY-UHFFFAOYSA-N 0 0 193.246 1.732 10 0 ADAERN CC/C=C\[C@H]1CSC(=O)N1 307828292 572574231 /nfs/dbraw/zinc/57/42/31/572574231.db2.gz NVEVOXCUNALGHX-SYDCGGLASA-N 0 0 157.238 1.778 10 0 ADAERN CC(=O)[C@@H](O)CN(C)c1ccccc1 238336122 572574236 /nfs/dbraw/zinc/57/42/36/572574236.db2.gz PPMOCAUIFXCQAS-NSHDSACASA-N 0 0 193.246 1.073 10 0 ADAERN COCC1=CCN(CCF)CC1 308068806 572574299 /nfs/dbraw/zinc/57/42/99/572574299.db2.gz ADWXETMLOQJOFL-UHFFFAOYSA-N 0 0 173.231 1.234 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@H]1OC1CC1 713290911 572574308 /nfs/dbraw/zinc/57/43/08/572574308.db2.gz MPBMIYNMWPNBNG-IVZWLZJFSA-N 0 0 170.252 1.715 10 0 ADAERN COCCNc1nc(C2(C)CC2)no1 87553939 572574334 /nfs/dbraw/zinc/57/43/34/572574334.db2.gz IENPEOQBTURHMG-UHFFFAOYSA-N 0 0 197.238 1.179 10 0 ADAERN CCc1noc(-c2ccc[nH]2)n1 45893719 572574336 /nfs/dbraw/zinc/57/43/36/572574336.db2.gz ZSBRQQCITJTUKC-UHFFFAOYSA-N 0 0 163.180 1.627 10 0 ADAERN CCn1ccnc1C[C@@H](O)CC1CC1 87581438 572574339 /nfs/dbraw/zinc/57/43/39/572574339.db2.gz YMIWBIMLTXKVHH-JTQLQIEISA-N 0 0 194.278 1.607 10 0 ADAERN COCC(=O)[C@@H](C)CC(F)(F)F 402643158 572574371 /nfs/dbraw/zinc/57/43/71/572574371.db2.gz OPOLSZMGHTULII-YFKPBYRVSA-N 0 0 184.157 1.790 10 0 ADAERN CNc1nc(C(=O)OC2CC2)cs1 713287856 572574400 /nfs/dbraw/zinc/57/44/00/572574400.db2.gz PSUFPAZAGFLXHH-UHFFFAOYSA-N 0 0 198.247 1.504 10 0 ADAERN O[C@H](CC1CCOCC1)CC1CC1 87581572 572574414 /nfs/dbraw/zinc/57/44/14/572574414.db2.gz CFOVQCQCFIDOLY-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN CCOC(=O)c1nc([C@@H](C)CC)no1 84717593 572574417 /nfs/dbraw/zinc/57/44/17/572574417.db2.gz HBKUKBGKPFPBJR-LURJTMIESA-N 0 0 198.222 1.760 10 0 ADAERN CC1(c2noc(CCCCO)n2)CC1 87554252 572574507 /nfs/dbraw/zinc/57/45/07/572574507.db2.gz VMGKOKAHNZTEJW-UHFFFAOYSA-N 0 0 196.250 1.436 10 0 ADAERN COC(=O)[C@@H](C)C(=O)C1(C)CC1 87553574 572574524 /nfs/dbraw/zinc/57/45/24/572574524.db2.gz JIZSYAICTUKSAX-LURJTMIESA-N 0 0 170.208 1.165 10 0 ADAERN C[C@H](O)[C@@H](O)C[C@@H](C)c1ccccc1 251521715 572574570 /nfs/dbraw/zinc/57/45/70/572574570.db2.gz JMMVDAQZNFEDHJ-SCVCMEIPSA-N 0 0 194.274 1.922 10 0 ADAERN C[NH2+]Cc1cc(OC)c(C2CC2)cn1 238336264 572574586 /nfs/dbraw/zinc/57/45/86/572574586.db2.gz ZOFWTDMBKYEMRF-UHFFFAOYSA-N 0 0 192.262 1.687 10 0 ADAERN CCN[C@H](C)c1nc(C2(C)CC2)no1 87554226 572574605 /nfs/dbraw/zinc/57/46/05/572574605.db2.gz OSAUCJRPIPAOKU-SSDOTTSWSA-N 0 0 195.266 1.792 10 0 ADAERN CCN[C@@H](C)c1nc(C2(C)CC2)no1 87554225 572574647 /nfs/dbraw/zinc/57/46/47/572574647.db2.gz OSAUCJRPIPAOKU-ZETCQYMHSA-N 0 0 195.266 1.792 10 0 ADAERN CC(C)[C@@H]1CC[N@H+](C)CC[C@H]1C(=O)[O-] 251466938 572574687 /nfs/dbraw/zinc/57/46/87/572574687.db2.gz ZWDRGLITODLEDY-VHSXEESVSA-N 0 0 199.294 1.685 10 0 ADAERN CCCOC(=O)c1cc(C)on1 87555449 572574716 /nfs/dbraw/zinc/57/47/16/572574716.db2.gz TYKCJUZYVMUSIA-UHFFFAOYSA-N 0 0 169.180 1.550 10 0 ADAERN Nc1ncccc1C[C@@H](O)CC1CC1 87581384 572574732 /nfs/dbraw/zinc/57/47/32/572574732.db2.gz BTDWVEAFDTVEQA-JTQLQIEISA-N 0 0 192.262 1.367 10 0 ADAERN O[C@H](Cc1nccs1)CC1CC1 87581076 572574830 /nfs/dbraw/zinc/57/48/30/572574830.db2.gz LXRWBPOMBNBXHG-QMMMGPOBSA-N 0 0 183.276 1.847 10 0 ADAERN COC(=O)[C@@H](C(=O)C1(C)CC1)C(C)C 87553591 572574858 /nfs/dbraw/zinc/57/48/58/572574858.db2.gz OVPYRVQVWCPAFX-MRVPVSSYSA-N 0 0 198.262 1.801 10 0 ADAERN CCn1ccnc1C(=O)CC1CC1 87580894 572574864 /nfs/dbraw/zinc/57/48/64/572574864.db2.gz YWCZXTQVNYPJAK-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN C[NH2+][C@H](C)c1cccc(CC(=O)[O-])c1 238336281 572574867 /nfs/dbraw/zinc/57/48/67/572574867.db2.gz PIPPYAXYIDXPPX-MRVPVSSYSA-N 0 0 193.246 1.594 10 0 ADAERN CC(C)n1nc2cccc(O)c2n1 251502923 572574886 /nfs/dbraw/zinc/57/48/86/572574886.db2.gz HTRFYIZGGQMYKW-UHFFFAOYSA-N 0 0 177.207 1.718 10 0 ADAERN CCOCC(=O)O[C@@H](C)CSC 308068818 572574902 /nfs/dbraw/zinc/57/49/02/572574902.db2.gz AEXNMAVJJLKEHM-ZETCQYMHSA-N 0 0 192.280 1.318 10 0 ADAERN Cc1cc(CN(C)CCF)no1 308068751 572574925 /nfs/dbraw/zinc/57/49/25/572574925.db2.gz ACLBPJGIIJZCMO-UHFFFAOYSA-N 0 0 172.203 1.384 10 0 ADAERN CC1(c2noc(CCCO)n2)CC1 87554254 572574944 /nfs/dbraw/zinc/57/49/44/572574944.db2.gz GRXKLOYOYVOKOF-UHFFFAOYSA-N 0 0 182.223 1.046 10 0 ADAERN CC(C)OC[C@H](O)CC1CC1 87581605 572574982 /nfs/dbraw/zinc/57/49/82/572574982.db2.gz YHZFXIWENMIODT-SECBINFHSA-N 0 0 158.241 1.572 10 0 ADAERN COC(=O)[C@H](C(=O)C1(C)CC1)C(C)C 87553589 572575021 /nfs/dbraw/zinc/57/50/21/572575021.db2.gz OVPYRVQVWCPAFX-QMMMGPOBSA-N 0 0 198.262 1.801 10 0 ADAERN CC[C@H](C)NC(=O)[C@H]1CCC[C@@H](O)C1 251521871 572575058 /nfs/dbraw/zinc/57/50/58/572575058.db2.gz AFBWAJPMENNXDK-LPEHRKFASA-N 0 0 199.294 1.452 10 0 ADAERN C[NH2+][C@@H](C)c1cnccc1C(=O)OC 238336145 572575126 /nfs/dbraw/zinc/57/51/26/572575126.db2.gz OWHIFJIXKGIWOJ-ZETCQYMHSA-N 0 0 194.234 1.149 10 0 ADAERN CCC(CC)[C@@H](C)N1C(=O)C=CC1=O 84733733 572575132 /nfs/dbraw/zinc/57/51/32/572575132.db2.gz VWNUARBKYTWRPJ-MRVPVSSYSA-N 0 0 195.262 1.736 10 0 ADAERN COC(=O)[C@@H](O)[C@H](C)C1=CCCCC1 214842985 572575133 /nfs/dbraw/zinc/57/51/33/572575133.db2.gz HZKRBOUQGXMXEB-SCZZXKLOSA-N 0 0 198.262 1.657 10 0 ADAERN CN(C[C@H](O)c1ccc(O)cc1)N=O 238336770 572575178 /nfs/dbraw/zinc/57/51/78/572575178.db2.gz AKMCFCCIVYWCOA-VIFPVBQESA-N 0 0 196.206 1.039 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]1C[C@]12CC[NH2+]C2 251506931 572575206 /nfs/dbraw/zinc/57/52/06/572575206.db2.gz ICHZGTFLKFMWQY-WEDXCCLWSA-N 0 0 183.251 1.097 10 0 ADAERN CC[C@@H]1[C@H](C)[C@@H](C(=O)[O-])CC[N@@H+]1C 251465749 572575214 /nfs/dbraw/zinc/57/52/14/572575214.db2.gz AZVVDIGRLAJTAJ-HRDYMLBCSA-N 0 0 185.267 1.437 10 0 ADAERN COC(=O)[C@H](C)C(=O)C1(C)CC1 87553576 572575320 /nfs/dbraw/zinc/57/53/20/572575320.db2.gz JIZSYAICTUKSAX-ZCFIWIBFSA-N 0 0 170.208 1.165 10 0 ADAERN CCOC(=O)[C@H](CC)C(=O)C1(C)CC1 87553595 572575490 /nfs/dbraw/zinc/57/54/90/572575490.db2.gz KWUOIHNTMOULPV-MRVPVSSYSA-N 0 0 198.262 1.945 10 0 ADAERN Nc1cc(C[C@@H](O)CC2CC2)ccn1 87581484 572575413 /nfs/dbraw/zinc/57/54/13/572575413.db2.gz IWOSQIDGAJLFEC-JTQLQIEISA-N 0 0 192.262 1.367 10 0 ADAERN CC[C@@H](O)C(=O)CC(C)(C)C 713306555 572575454 /nfs/dbraw/zinc/57/54/54/572575454.db2.gz ZHNBUYKIBUAJLS-SSDOTTSWSA-N 0 0 158.241 1.763 10 0 ADAERN FCCCCNc1nccnc1F 402738971 572575461 /nfs/dbraw/zinc/57/54/61/572575461.db2.gz HGJWNSIAGAVRAU-UHFFFAOYSA-N 0 0 187.193 1.777 10 0 ADAERN C/C=C/CN(C)[C@H](C)C(=O)OC 308068811 572575477 /nfs/dbraw/zinc/57/54/77/572575477.db2.gz AECHULIJVGSVMK-HQZHTGGTSA-N 0 0 171.240 1.056 10 0 ADAERN O[C@@H](Cc1nccs1)CC1CC1 87581075 572575501 /nfs/dbraw/zinc/57/55/01/572575501.db2.gz LXRWBPOMBNBXHG-MRVPVSSYSA-N 0 0 183.276 1.847 10 0 ADAERN C[C@@H]1C[N@@H+](C)C[C@H](C)[C@H]1[C@H](C)C(=O)[O-] 251565387 572575519 /nfs/dbraw/zinc/57/55/19/572575519.db2.gz DBBNNSOSKHLDID-QCLAVDOMSA-N 0 0 199.294 1.541 10 0 ADAERN CCCNCc1nc(CC2CC2)no1 87580089 572575527 /nfs/dbraw/zinc/57/55/27/572575527.db2.gz LNXDWCXDJHPQRJ-UHFFFAOYSA-N 0 0 195.266 1.522 10 0 ADAERN CCn1ncnc1C[C@H](O)CC1CC1 87581118 572575564 /nfs/dbraw/zinc/57/55/64/572575564.db2.gz AFBZSKMMCAGDTD-SECBINFHSA-N 0 0 195.266 1.002 10 0 ADAERN CCC[C@]1(O)CO[C@@H](C)C1 401812061 572575591 /nfs/dbraw/zinc/57/55/91/572575591.db2.gz GIFWIXUMFJGUQD-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCn1ncnc1CC(=O)CC1CC1 87580676 572575641 /nfs/dbraw/zinc/57/56/41/572575641.db2.gz JPUBSMCEAFJPCW-UHFFFAOYSA-N 0 0 193.250 1.210 10 0 ADAERN CCC(=O)Cc1nc(C2(C)CC2)no1 87554100 572575669 /nfs/dbraw/zinc/57/56/69/572575669.db2.gz LZVXGWXBHSZOFU-UHFFFAOYSA-N 0 0 194.234 1.643 10 0 ADAERN Nc1nnc(C2C[C@@H]3C[C@@H]3C2)o1 87563871 572575681 /nfs/dbraw/zinc/57/56/81/572575681.db2.gz QZARJGQJQZYXAV-XEAPYIEGSA-N 0 0 165.196 1.165 10 0 ADAERN CCC[C@@]1(O)CO[C@H](C)C1 401812062 572575692 /nfs/dbraw/zinc/57/56/92/572575692.db2.gz GIFWIXUMFJGUQD-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@@H]1[C@@H](C)[C@@H](C(=O)[O-])CC[N@@H+]1C 251465753 572575801 /nfs/dbraw/zinc/57/58/01/572575801.db2.gz AZVVDIGRLAJTAJ-XHNCKOQMSA-N 0 0 185.267 1.437 10 0 ADAERN COc1nccc(C(C)C)n1 114614438 572575821 /nfs/dbraw/zinc/57/58/21/572575821.db2.gz HIMSWDGNMPGEKG-UHFFFAOYSA-N 0 0 152.197 1.609 10 0 ADAERN CC(C)[C@H]1CC[N@H+](C)CC[C@H]1C(=O)[O-] 251466934 572575826 /nfs/dbraw/zinc/57/58/26/572575826.db2.gz ZWDRGLITODLEDY-NXEZZACHSA-N 0 0 199.294 1.685 10 0 ADAERN CCOC(=O)c1nc(CC2CC2)no1 87580444 572575842 /nfs/dbraw/zinc/57/58/42/572575842.db2.gz PGPVCPZBQNEMLJ-UHFFFAOYSA-N 0 0 196.206 1.199 10 0 ADAERN Cc1cc(C[C@@H](O)CC2CC2)n(C)n1 87581304 572575860 /nfs/dbraw/zinc/57/58/60/572575860.db2.gz NSRCGLCHGRRHAN-NSHDSACASA-N 0 0 194.278 1.432 10 0 ADAERN Cn1ccnc1C[C@@H](O)CC1CC1 87581316 572575894 /nfs/dbraw/zinc/57/58/94/572575894.db2.gz SOQBRYHPSXBAPT-VIFPVBQESA-N 0 0 180.251 1.124 10 0 ADAERN C[C@H](O)[C@H](O)C[C@@H](C)c1ccccn1 251521070 572575978 /nfs/dbraw/zinc/57/59/78/572575978.db2.gz JLFDOOYULUYZQT-WCABBAIRSA-N 0 0 195.262 1.317 10 0 ADAERN CCCNc1cc(N)ccc1C(N)=O 69764338 572576005 /nfs/dbraw/zinc/57/60/05/572576005.db2.gz YZGCBKWHLVPYDA-UHFFFAOYSA-N 0 0 193.250 1.190 10 0 ADAERN Cn1cc(C[C@H](O)CC2CC2)cn1 87580992 572576040 /nfs/dbraw/zinc/57/60/40/572576040.db2.gz DZLKVRYIQYYFMH-SNVBAGLBSA-N 0 0 180.251 1.124 10 0 ADAERN CCn1nccc1C(=O)CC1CC1 87580767 572576045 /nfs/dbraw/zinc/57/60/45/572576045.db2.gz SXAYKGKIADFRKR-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN Cc1cc(C[C@H](O)CC2CC2)n(C)n1 87581302 572576050 /nfs/dbraw/zinc/57/60/50/572576050.db2.gz NSRCGLCHGRRHAN-LLVKDONJSA-N 0 0 194.278 1.432 10 0 ADAERN Cc1cc(CC(=O)CC2CC2)n(C)n1 87580911 572576102 /nfs/dbraw/zinc/57/61/02/572576102.db2.gz REVYLGDLFFXXCD-UHFFFAOYSA-N 0 0 192.262 1.640 10 0 ADAERN CC(C)OC[C@@H](O)CC1CC1 87581607 572576150 /nfs/dbraw/zinc/57/61/50/572576150.db2.gz YHZFXIWENMIODT-VIFPVBQESA-N 0 0 158.241 1.572 10 0 ADAERN CCOC[C@H](O)CSC(C)(C)C 84746926 572576177 /nfs/dbraw/zinc/57/61/77/572576177.db2.gz SYMOJQQWQPWKPL-QMMMGPOBSA-N 0 0 192.324 1.916 10 0 ADAERN Nc1ncccc1C[C@H](O)CC1CC1 87581382 572576239 /nfs/dbraw/zinc/57/62/39/572576239.db2.gz BTDWVEAFDTVEQA-SNVBAGLBSA-N 0 0 192.262 1.367 10 0 ADAERN COC[C@@H](OC)C(=O)CC(C)(C)C 713314560 572576249 /nfs/dbraw/zinc/57/62/49/572576249.db2.gz LHKZCFLXHGLEMV-SECBINFHSA-N 0 0 188.267 1.653 10 0 ADAERN C[C@H](O)[C@H](O)C[C@@H](C)c1ccccc1 251521704 572576294 /nfs/dbraw/zinc/57/62/94/572576294.db2.gz JMMVDAQZNFEDHJ-JFGNBEQYSA-N 0 0 194.274 1.922 10 0 ADAERN CC[C@@H](C(=O)OC)C(=O)C1(C)CC1 87553582 572576295 /nfs/dbraw/zinc/57/62/95/572576295.db2.gz RATMOKAQRZEDHR-SSDOTTSWSA-N 0 0 184.235 1.555 10 0 ADAERN C[C@@H]1C[N@@H+](C)C[C@H](C)[C@H]1[C@@H](C)C(=O)[O-] 251565393 572576322 /nfs/dbraw/zinc/57/63/22/572576322.db2.gz DBBNNSOSKHLDID-RGOKHQFPSA-N 0 0 199.294 1.541 10 0 ADAERN Nc1cc(C[C@H](O)CC2CC2)ccn1 87581483 572576323 /nfs/dbraw/zinc/57/63/23/572576323.db2.gz IWOSQIDGAJLFEC-SNVBAGLBSA-N 0 0 192.262 1.367 10 0 ADAERN Cn1ccnc1CC(=O)CC1CC1 87580795 572576336 /nfs/dbraw/zinc/57/63/36/572576336.db2.gz FPEDMCUVGZRDCD-UHFFFAOYSA-N 0 0 178.235 1.332 10 0 ADAERN Cn1cc(CC(=O)CC2CC2)cn1 87580932 572576394 /nfs/dbraw/zinc/57/63/94/572576394.db2.gz WUXSXAOPQOGQBU-UHFFFAOYSA-N 0 0 178.235 1.332 10 0 ADAERN CCCCCNc1nnns1 114612981 572576410 /nfs/dbraw/zinc/57/64/10/572576410.db2.gz ZXFMEKBXBWMJHA-UHFFFAOYSA-N 0 0 172.257 1.535 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H](O)C1 251521855 572576419 /nfs/dbraw/zinc/57/64/19/572576419.db2.gz AFBWAJPMENNXDK-IVZWLZJFSA-N 0 0 199.294 1.452 10 0 ADAERN CCOCC(=O)O[C@H](C)CSC 308068817 572576463 /nfs/dbraw/zinc/57/64/63/572576463.db2.gz AEXNMAVJJLKEHM-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CCCOC(=O)CCn1ccnc1 87555879 572576474 /nfs/dbraw/zinc/57/64/74/572576474.db2.gz DJTWCHPFVWLFEL-UHFFFAOYSA-N 0 0 182.223 1.226 10 0 ADAERN Cc1nccc(OCC2CC2)n1 164345158 572576485 /nfs/dbraw/zinc/57/64/85/572576485.db2.gz PQTALVHURHOSHY-UHFFFAOYSA-N 0 0 164.208 1.574 10 0 ADAERN CNC(=O)c1ccc(COC(C)C)o1 238340213 572576506 /nfs/dbraw/zinc/57/65/06/572576506.db2.gz ZGWXBMWMYMGGMH-UHFFFAOYSA-N 0 0 197.234 1.564 10 0 ADAERN COCn1cccc1/C=C/CO 238340399 572576554 /nfs/dbraw/zinc/57/65/54/572576554.db2.gz LLHWFARVVDHWKD-HWKANZROSA-N 0 0 167.208 1.098 10 0 ADAERN COCn1ccnc1[C@H](O)C(C)C 238340548 572576558 /nfs/dbraw/zinc/57/65/58/572576558.db2.gz ONIFFRCSZYELHC-MRVPVSSYSA-N 0 0 184.239 1.176 10 0 ADAERN O[C@@H](CC1CCOCC1)CC1CC1 87581574 572576570 /nfs/dbraw/zinc/57/65/70/572576570.db2.gz CFOVQCQCFIDOLY-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN COC(=O)[C@H](O)[C@H](C)C1=CCCCC1 214843039 572576585 /nfs/dbraw/zinc/57/65/85/572576585.db2.gz HZKRBOUQGXMXEB-PSASIEDQSA-N 0 0 198.262 1.657 10 0 ADAERN COC(=N)[C@H](O)c1cccc(OC)c1 238343401 572576599 /nfs/dbraw/zinc/57/65/99/572576599.db2.gz IBCXRKHTQWJUDK-SECBINFHSA-N 0 0 195.218 1.352 10 0 ADAERN CC(C)n1cnc2c(N)ccnc21 114616685 572576608 /nfs/dbraw/zinc/57/66/08/572576608.db2.gz VXLAGKNGXOCJFB-UHFFFAOYSA-N 0 0 176.223 1.594 10 0 ADAERN CN[C@H](C)c1nc(CC2CC2)no1 87580157 572576623 /nfs/dbraw/zinc/57/66/23/572576623.db2.gz ZVDGUXGRAROTRC-ZCFIWIBFSA-N 0 0 181.239 1.303 10 0 ADAERN CCn1ccnc1CC(=O)CC1CC1 87580965 572576641 /nfs/dbraw/zinc/57/66/41/572576641.db2.gz JXCUFQQRPQHHQL-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN CCn1cc(C[C@@H](O)CC2CC2)cn1 87581473 572576665 /nfs/dbraw/zinc/57/66/65/572576665.db2.gz LNXPTKHSZZEUPR-NSHDSACASA-N 0 0 194.278 1.607 10 0 ADAERN CCOC(=O)CCC(=O)C1(C)CC1 87553562 572576680 /nfs/dbraw/zinc/57/66/80/572576680.db2.gz KVQQWIKZGQCPHS-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN C[C@H](CNN)CC(F)(F)F 402763964 572576702 /nfs/dbraw/zinc/57/67/02/572576702.db2.gz HDLVBOPNIYRDHE-BYPYZUCNSA-N 0 0 156.151 1.038 10 0 ADAERN CCCc1cc(=O)[nH]c(CC2CC2)n1 87580495 572576706 /nfs/dbraw/zinc/57/67/06/572576706.db2.gz LUHWCRIYESJZQV-UHFFFAOYSA-N 0 0 192.262 1.675 10 0 ADAERN CC[C@H](O)C(=O)CC(C)(C)C 713306557 572576720 /nfs/dbraw/zinc/57/67/20/572576720.db2.gz ZHNBUYKIBUAJLS-ZETCQYMHSA-N 0 0 158.241 1.763 10 0 ADAERN N[C@@H](c1nc(CC2CC2)no1)C1CC1 87580166 572576734 /nfs/dbraw/zinc/57/67/34/572576734.db2.gz CDFOETMYDVMXDF-SECBINFHSA-N 0 0 193.250 1.432 10 0 ADAERN O=C(Cc1ncc[nH]1)C1C[C@@H]2C[C@@H]2C1 87563817 572576748 /nfs/dbraw/zinc/57/67/48/572576748.db2.gz FNEACEZXKPICCT-JVHMLUBASA-N 0 0 190.246 1.567 10 0 ADAERN CCC[C@@H](N)c1nc(CC2CC2)no1 87580262 572576780 /nfs/dbraw/zinc/57/67/80/572576780.db2.gz JNFHOPYWHAVTGT-MRVPVSSYSA-N 0 0 195.266 1.822 10 0 ADAERN CCn1ccnc1[C@@H](O)CC1CC1 87581204 572576797 /nfs/dbraw/zinc/57/67/97/572576797.db2.gz SJZZWCBKBGXGGU-VIFPVBQESA-N 0 0 180.251 1.737 10 0 ADAERN Cn1ccnc1C[C@H](O)CC1CC1 87581314 572576801 /nfs/dbraw/zinc/57/68/01/572576801.db2.gz SOQBRYHPSXBAPT-SECBINFHSA-N 0 0 180.251 1.124 10 0 ADAERN CCOC(=O)C(C)(C)C(=O)C1(C)CC1 87553560 572576810 /nfs/dbraw/zinc/57/68/10/572576810.db2.gz WHPAFZVNMXDIOP-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN C[C@@H]1C=CCC=CC[C@H]1O 393476798 572576851 /nfs/dbraw/zinc/57/68/51/572576851.db2.gz FRJVPZBMJDDXOS-RKDXNWHRSA-N 0 0 138.210 1.890 10 0 ADAERN CCn1ncnc1C[C@@H](O)CC1CC1 87581121 572576863 /nfs/dbraw/zinc/57/68/63/572576863.db2.gz AFBZSKMMCAGDTD-VIFPVBQESA-N 0 0 195.266 1.002 10 0 ADAERN COC[C@H](OC)C(=O)CC(C)(C)C 713314562 572576864 /nfs/dbraw/zinc/57/68/64/572576864.db2.gz LHKZCFLXHGLEMV-VIFPVBQESA-N 0 0 188.267 1.653 10 0 ADAERN C[C@@H]1C[NH+](C)C[C@@H](C)C1[C@H](C)C(=O)[O-] 251565380 572576899 /nfs/dbraw/zinc/57/68/99/572576899.db2.gz DBBNNSOSKHLDID-HLTSFMKQSA-N 0 0 199.294 1.541 10 0 ADAERN C[C@H](O)CCc1nc(C2(C)CC2)no1 87554161 572576924 /nfs/dbraw/zinc/57/69/24/572576924.db2.gz YAOJCVNTPZEUOQ-ZETCQYMHSA-N 0 0 196.250 1.435 10 0 ADAERN C/C=C\CN(C)[C@H](C)C(=O)OC 308068812 572577084 /nfs/dbraw/zinc/57/70/84/572577084.db2.gz AECHULIJVGSVMK-RPSMYOMKSA-N 0 0 171.240 1.056 10 0 ADAERN CCC[C@@]1(O)CO[C@@H](C)C1 401812063 572577085 /nfs/dbraw/zinc/57/70/85/572577085.db2.gz GIFWIXUMFJGUQD-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN Nc1ncccc1CC(=O)CC1CC1 87580772 572577086 /nfs/dbraw/zinc/57/70/86/572577086.db2.gz HCRCULGFNHENFE-UHFFFAOYSA-N 0 0 190.246 1.576 10 0 ADAERN COc1ccc([C@@H](O)/C=C/CO)cc1 238340523 572577005 /nfs/dbraw/zinc/57/70/05/572577005.db2.gz SIFPXDPOKAJHFQ-VUDBWIFFSA-N 0 0 194.230 1.277 10 0 ADAERN COC(=O)[C@@H](C)n1ccc(C=O)c1 238343342 572577020 /nfs/dbraw/zinc/57/70/20/572577020.db2.gz BQXZPJLKEQNGIA-SSDOTTSWSA-N 0 0 181.191 1.035 10 0 ADAERN CC[C@@H]1[C@H](C(=O)[O-])[C@@H](C)CC[N@@H+]1C 251505168 572577177 /nfs/dbraw/zinc/57/71/77/572577177.db2.gz DZUAYVBJOIQSOH-DJLDLDEBSA-N 0 0 185.267 1.437 10 0 ADAERN CCOC[C@@H](O)CSC(C)(C)C 84746928 572577208 /nfs/dbraw/zinc/57/72/08/572577208.db2.gz SYMOJQQWQPWKPL-MRVPVSSYSA-N 0 0 192.324 1.916 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]1C[C@]12CC[NH2+]C2 251506928 572577218 /nfs/dbraw/zinc/57/72/18/572577218.db2.gz ICHZGTFLKFMWQY-MRTMQBJTSA-N 0 0 183.251 1.097 10 0 ADAERN CCCOC(=O)[C@@H](CC)OC 114630792 572577223 /nfs/dbraw/zinc/57/72/23/572577223.db2.gz FNTXONGXBJMFBS-SSDOTTSWSA-N 0 0 160.213 1.365 10 0 ADAERN CCCOC(=O)[C@H](CC)OC 114630793 572577263 /nfs/dbraw/zinc/57/72/63/572577263.db2.gz FNTXONGXBJMFBS-ZETCQYMHSA-N 0 0 160.213 1.365 10 0 ADAERN CCOC(=O)[C@@H](CC)C(=O)C1(C)CC1 87553593 572577282 /nfs/dbraw/zinc/57/72/82/572577282.db2.gz KWUOIHNTMOULPV-QMMMGPOBSA-N 0 0 198.262 1.945 10 0 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CC(=O)C1(C[C@@H](C)CO)CC1 235169459 572582804 /nfs/dbraw/zinc/58/28/04/572582804.db2.gz ADTODWJQPMATCK-SSDOTTSWSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1nc(C2Cc3ccccc3C2)n[nH]1 236026757 572582831 /nfs/dbraw/zinc/58/28/31/572582831.db2.gz YATLEKALEXYEQR-UHFFFAOYSA-N 0 0 199.257 1.996 10 0 ADAERN CC[C@H](OC)C(=O)OCC(C)C 114767588 572582846 /nfs/dbraw/zinc/58/28/46/572582846.db2.gz BVGRSGSFEIMTRH-QMMMGPOBSA-N 0 0 174.240 1.611 10 0 ADAERN C[C@@H](CO)CC1([C@@H](C)O)CC1 235169515 572582883 /nfs/dbraw/zinc/58/28/83/572582883.db2.gz TVKBTOPXKHBUCC-HTQZYQBOSA-N 0 0 158.241 1.166 10 0 ADAERN C[C@@H](C1CCCC1)N1CCC(=O)C1=O 69805179 572582926 /nfs/dbraw/zinc/58/29/26/572582926.db2.gz DVCAKQRAWSWCHU-QMMMGPOBSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@H](O)C1(C[C@@H](C)CO)CC1 235169546 572582953 /nfs/dbraw/zinc/58/29/53/572582953.db2.gz TVKBTOPXKHBUCC-SFYZADRCSA-N 0 0 158.241 1.166 10 0 ADAERN COCOCc1cccc(C=O)n1 238345495 572583010 /nfs/dbraw/zinc/58/30/10/572583010.db2.gz LFCAQKKLXWFXQX-UHFFFAOYSA-N 0 0 181.191 1.015 10 0 ADAERN COCOCc1cccc(N)c1 238345522 572583014 /nfs/dbraw/zinc/58/30/14/572583014.db2.gz UCOOYVQBWRMVQN-UHFFFAOYSA-N 0 0 167.208 1.389 10 0 ADAERN COC(=O)C[C@@H]1C[C@H]1CC(C)=O 238345820 572583028 /nfs/dbraw/zinc/58/30/28/572583028.db2.gz KQNDGLOUCNLJFD-SFYZADRCSA-N 0 0 170.208 1.165 10 0 ADAERN Cc1ccc2c(c1C=O)OCO2 114767515 572583099 /nfs/dbraw/zinc/58/30/99/572583099.db2.gz RMSPXWACYYYXSR-UHFFFAOYSA-N 0 0 164.160 1.536 10 0 ADAERN C/C=C(/C[C@@H]1CCC[C@@H]1O)C(=O)OC 238350439 572583190 /nfs/dbraw/zinc/58/31/90/572583190.db2.gz NUIFNNOWTSTPNF-QDJRAUDGSA-N 0 0 198.262 1.657 10 0 ADAERN COc1ccccc1CC(=O)C=O 238345290 572583198 /nfs/dbraw/zinc/58/31/98/572583198.db2.gz VEKXAQVPAQELGV-UHFFFAOYSA-N 0 0 178.187 1.006 10 0 ADAERN COCCCNc1cccccc1=O 238350374 572583226 /nfs/dbraw/zinc/58/32/26/572583226.db2.gz NBHPGDROIHSOGJ-UHFFFAOYSA-N 0 0 193.246 1.495 10 0 ADAERN C/C=C(/C[C@@H]1CCC[C@H]1O)C(=O)OC 238350457 572583241 /nfs/dbraw/zinc/58/32/41/572583241.db2.gz NUIFNNOWTSTPNF-NRCMDQDQSA-N 0 0 198.262 1.657 10 0 ADAERN O=Cc1c[nH]nc1[C@H]1CCSC1 74300560 572583251 /nfs/dbraw/zinc/58/32/51/572583251.db2.gz ZIEVBMLYJCHJIA-LURJTMIESA-N 0 0 182.248 1.443 10 0 ADAERN COc1ccc([C@H](CO)[C@@H](C)O)cc1 238345767 572583346 /nfs/dbraw/zinc/58/33/46/572583346.db2.gz ALFXVYGJZHTFLY-LDYMZIIASA-N 0 0 196.246 1.152 10 0 ADAERN COc1ccc([C@H](CO)[C@H](C)O)cc1 238345783 572583367 /nfs/dbraw/zinc/58/33/67/572583367.db2.gz ALFXVYGJZHTFLY-GZMMTYOYSA-N 0 0 196.246 1.152 10 0 ADAERN COC(=O)C[C@@H]1C[C@@H]1CC(C)=O 238345406 572583421 /nfs/dbraw/zinc/58/34/21/572583421.db2.gz KQNDGLOUCNLJFD-YUMQZZPRSA-N 0 0 170.208 1.165 10 0 ADAERN CO[C@H]1CCC=CCC(=O)C1 238345061 572583476 /nfs/dbraw/zinc/58/34/76/572583476.db2.gz RFFKQXONRZKDSC-VIFPVBQESA-N 0 0 154.209 1.701 10 0 ADAERN CCCNC(=O)N/C=C/C1CC1 218969539 572583570 /nfs/dbraw/zinc/58/35/70/572583570.db2.gz ZFRDHZYKPKEHQZ-FNORWQNLSA-N 0 0 168.240 1.619 10 0 ADAERN COc1cc(C=O)ccc1OC=O 114791639 572583606 /nfs/dbraw/zinc/58/36/06/572583606.db2.gz NTFUOKPEBQRDTR-UHFFFAOYSA-N 0 0 180.159 1.043 10 0 ADAERN CC[C@@H]1C[N@H+](C)CC[C@H]1CC(=O)[O-] 251581145 572583637 /nfs/dbraw/zinc/58/36/37/572583637.db2.gz CIFGUSPENUATBT-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN Nn1cc(C(F)(F)F)[nH]c1=S 74299986 572583700 /nfs/dbraw/zinc/58/37/00/572583700.db2.gz BVKMKQKNXXSFLJ-UHFFFAOYSA-N 0 0 183.158 1.278 10 0 ADAERN COCOCc1nccc(C)c1N 238345593 572583721 /nfs/dbraw/zinc/58/37/21/572583721.db2.gz DOLVIIQLVOQIIX-UHFFFAOYSA-N 0 0 182.223 1.093 10 0 ADAERN c1cnc2[nH]cc(Cn3ccnc3)c2c1 114720676 572583722 /nfs/dbraw/zinc/58/37/22/572583722.db2.gz IEFAXCWEUCXGMC-UHFFFAOYSA-N 0 0 198.229 1.808 10 0 ADAERN COC(=O)/C=C/[C@@H](O)C(C)(C)C 238345620 572583728 /nfs/dbraw/zinc/58/37/28/572583728.db2.gz COVGGVLFSZMINS-WEWAHIQMSA-N 0 0 172.224 1.123 10 0 ADAERN COC(=O)CC[C@H](C)[C@H](O)C(C)C 238350236 572583734 /nfs/dbraw/zinc/58/37/34/572583734.db2.gz XRTZCTBZLFWIJR-WCBMZHEXSA-N 0 0 188.267 1.593 10 0 ADAERN COC1CCC(OC[C@H](C)O)CC1 686234711 572583900 /nfs/dbraw/zinc/58/39/00/572583900.db2.gz JRGBAMCAOHFXMA-IDKOKCKLSA-N 0 0 188.267 1.341 10 0 ADAERN CCc1ccc(CC)c(C(=O)CO)c1 40449657 572583944 /nfs/dbraw/zinc/58/39/44/572583944.db2.gz YGJHUYPDZYNJAG-UHFFFAOYSA-N 0 0 192.258 1.986 10 0 ADAERN C[C@@H](CCc1cnccn1)[C@@H](C)O 402895794 572583946 /nfs/dbraw/zinc/58/39/46/572583946.db2.gz DPTXBAJHLZIMLG-DTWKUNHWSA-N 0 0 180.251 1.426 10 0 ADAERN C[C@H](O)[C@@H](C)CCc1cnccn1 402895795 572583957 /nfs/dbraw/zinc/58/39/57/572583957.db2.gz DPTXBAJHLZIMLG-IUCAKERBSA-N 0 0 180.251 1.426 10 0 ADAERN O=C1C[C@@H](CO)Cc2ccsc21 74300562 572584025 /nfs/dbraw/zinc/58/40/25/572584025.db2.gz HPSHSBHGCTXVTD-LURJTMIESA-N 0 0 182.244 1.486 10 0 ADAERN CO[C@@H](c1nc(O)c[nH]1)C1CC1 234768452 572584109 /nfs/dbraw/zinc/58/41/09/572584109.db2.gz HBEZPQDVYBHZBD-SSDOTTSWSA-N 0 0 168.196 1.213 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1C[C@H]2CCC[N@@H+]2C1 251584098 572584142 /nfs/dbraw/zinc/58/41/42/572584142.db2.gz NVBBXWOIJQBYJP-DJLDLDEBSA-N 0 0 183.251 1.191 10 0 ADAERN COCCCC[C@@H](O)CCSC 308066868 572584194 /nfs/dbraw/zinc/58/41/94/572584194.db2.gz ZCLALACSQNMICN-SECBINFHSA-N 0 0 192.324 1.917 10 0 ADAERN CO[C@H]1CCC[C@](C)(O)C1 234767496 572584195 /nfs/dbraw/zinc/58/41/95/572584195.db2.gz DNLJDRYEAHWZRD-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN C/C=C/C=C\C(=O)N1CCSC1 308066674 572584197 /nfs/dbraw/zinc/58/41/97/572584197.db2.gz YZOALPGFEJQAPD-IAROGAJJSA-N 0 0 183.276 1.652 10 0 ADAERN COCCOC(=O)C(C)=C(C)C 114723088 572584245 /nfs/dbraw/zinc/58/42/45/572584245.db2.gz DATKBPMUGYCPCB-UHFFFAOYSA-N 0 0 172.224 1.532 10 0 ADAERN CC(C)C[C@@H]1[C@@H](C(=O)[O-])[C@H](C)C[N@@H+]1C 251589420 572584246 /nfs/dbraw/zinc/58/42/46/572584246.db2.gz FNSPELYURINHBR-BBBLOLIVSA-N 0 0 199.294 1.683 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1C[C@H]2CCC[N@@H+]2C1 251584103 572584284 /nfs/dbraw/zinc/58/42/84/572584284.db2.gz NVBBXWOIJQBYJP-XHNCKOQMSA-N 0 0 183.251 1.191 10 0 ADAERN COC(=O)[C@@H](C)c1ncccc1OC 234553893 572584321 /nfs/dbraw/zinc/58/43/21/572584321.db2.gz WIAFYOCXMCVLJX-ZETCQYMHSA-N 0 0 195.218 1.367 10 0 ADAERN COC(=O)c1ccc([C@H](O)C2CC2)o1 234556117 572584329 /nfs/dbraw/zinc/58/43/29/572584329.db2.gz UQPJHPSVKKERIN-SECBINFHSA-N 0 0 196.202 1.510 10 0 ADAERN CC/C(=C/C(=O)[O-])[NH+]1CCCC1 114696643 572584348 /nfs/dbraw/zinc/58/43/48/572584348.db2.gz DVZHZGTXCXOHHM-FPLPWBNLSA-N 0 0 169.224 1.461 10 0 ADAERN CC[C@@H]1[C@H](C)C[C@@H](C(=O)[O-])C[N@@H+]1C 251592863 572584387 /nfs/dbraw/zinc/58/43/87/572584387.db2.gz JZNYWXYCCSSRGB-IWSPIJDZSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@@H](O)[C@H](C)CCc1cnccn1 402895797 572584609 /nfs/dbraw/zinc/58/46/09/572584609.db2.gz DPTXBAJHLZIMLG-RKDXNWHRSA-N 0 0 180.251 1.426 10 0 ADAERN Cc1ccc(C[C@H]([NH3+])CC(=O)[O-])s1 117301854 572584666 /nfs/dbraw/zinc/58/46/66/572584666.db2.gz HJYJDNMKKONAET-ZETCQYMHSA-N 0 0 199.275 1.401 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@@H]1CCC=C[C@@H]1C 238348622 572584691 /nfs/dbraw/zinc/58/46/91/572584691.db2.gz IIUHXZFOYSZRDO-IVZWLZJFSA-N 0 0 197.278 1.651 10 0 ADAERN CC[C@@H]1[C@@H](C)C[C@@H](C(=O)[O-])C[N@@H+]1C 251592852 572584697 /nfs/dbraw/zinc/58/46/97/572584697.db2.gz JZNYWXYCCSSRGB-DJLDLDEBSA-N 0 0 185.267 1.437 10 0 ADAERN COCO[C@@H]1CCC=C1CCCO 238348502 572584769 /nfs/dbraw/zinc/58/47/69/572584769.db2.gz BXOOMQRRHDHXFC-SNVBAGLBSA-N 0 0 186.251 1.468 10 0 ADAERN Nc1c(-c2cscn2)o[nH]c1=O 74299835 572584826 /nfs/dbraw/zinc/58/48/26/572584826.db2.gz WKFTVWNKQDGKTC-UHFFFAOYSA-N 0 0 183.192 1.086 10 0 ADAERN CC/C=C\C(=O)N1CC[C@H](C)C1 308067674 572584893 /nfs/dbraw/zinc/58/48/93/572584893.db2.gz ZLFWRMHXKNDUDI-WBSSQXGSSA-N 0 0 167.252 1.821 10 0 ADAERN CCc1nn(C)cc1/C=C(\C)CO 308066655 572584913 /nfs/dbraw/zinc/58/49/13/572584913.db2.gz NJQJTORAIUOZEF-VMPITWQZSA-N 0 0 180.251 1.378 10 0 ADAERN Nc1c(-c2cncs2)o[nH]c1=O 74299833 572584917 /nfs/dbraw/zinc/58/49/17/572584917.db2.gz APUUFGUATKTHDQ-UHFFFAOYSA-N 0 0 183.192 1.086 10 0 ADAERN CCc1nc2ccccc2c(=O)[nH]1 165172888 572584995 /nfs/dbraw/zinc/58/49/95/572584995.db2.gz VINOBMZGBUVFJJ-XNWCZRBMSA-N 0 0 174.203 1.703 10 0 ADAERN C=C=CCCC[C@H](CO)OCOC 238347648 572585040 /nfs/dbraw/zinc/58/50/40/572585040.db2.gz PFEAXKIZISVDMG-SNVBAGLBSA-N 0 0 186.251 1.479 10 0 ADAERN CCOC(=O)c1c(F)cncc1CC 114696494 572585076 /nfs/dbraw/zinc/58/50/76/572585076.db2.gz QXULFMGRCNOLBM-UHFFFAOYSA-N 0 0 197.209 1.960 10 0 ADAERN COC(OC)[C@H](C1=CCC=C1)[C@H](C)O 238347385 572585080 /nfs/dbraw/zinc/58/50/80/572585080.db2.gz RZZBJMOGAWSVLI-WPRPVWTQSA-N 0 0 198.262 1.489 10 0 ADAERN O=Cc1cnc2n1CCCCS2 74300525 572585094 /nfs/dbraw/zinc/58/50/94/572585094.db2.gz AZLWKPWMTNHVON-UHFFFAOYSA-N 0 0 182.248 1.582 10 0 ADAERN COC(=O)[C@H](CC1CC1)C(C)=O 114715059 572585095 /nfs/dbraw/zinc/58/50/95/572585095.db2.gz HDBFTZDPCCHTEW-MRVPVSSYSA-N 0 0 170.208 1.165 10 0 ADAERN O=Cc1c[nH]nc1[C@@H]1CCSC1 74300559 572585132 /nfs/dbraw/zinc/58/51/32/572585132.db2.gz ZIEVBMLYJCHJIA-ZCFIWIBFSA-N 0 0 182.248 1.443 10 0 ADAERN O=Cc1nc2ccc(F)c(F)c2o1 74299989 572585137 /nfs/dbraw/zinc/58/51/37/572585137.db2.gz AKWMWNQWTFUNAY-UHFFFAOYSA-N 0 0 183.113 1.919 10 0 ADAERN C/C=C/C[C@H](O)CCC(=O)OC 238348354 572585256 /nfs/dbraw/zinc/58/52/56/572585256.db2.gz WWZHWFNYLYEGOV-RTMURIBGSA-N 0 0 172.224 1.267 10 0 ADAERN CC[C@H](N)C(=O)c1oc(C)nc1C 74300796 572585273 /nfs/dbraw/zinc/58/52/73/572585273.db2.gz RCLHHOUIPTVKHV-ZETCQYMHSA-N 0 0 182.223 1.211 10 0 ADAERN Cc1ccc(C[C@@H]([NH3+])CC(=O)[O-])s1 117301850 572585304 /nfs/dbraw/zinc/58/53/04/572585304.db2.gz HJYJDNMKKONAET-SSDOTTSWSA-N 0 0 199.275 1.401 10 0 ADAERN CCOCCCC(=O)[C@@H]1[C@H]2COC[C@H]21 689480239 572585306 /nfs/dbraw/zinc/58/53/06/572585306.db2.gz ANKAAPYZCSQQOK-JZYVYDRUSA-N 0 0 198.262 1.265 10 0 ADAERN O=Cc1scc2c1CCOCC2 74300567 572585392 /nfs/dbraw/zinc/58/53/92/572585392.db2.gz CJRWVKRGMDRMCH-UHFFFAOYSA-N 0 0 182.244 1.676 10 0 ADAERN CC[C@H](N)C(=O)c1nc(C)c(C)o1 74300799 572585433 /nfs/dbraw/zinc/58/54/33/572585433.db2.gz MIXJEKDTVHPLBO-ZETCQYMHSA-N 0 0 182.223 1.211 10 0 ADAERN C[C@@H]1CC[C@@H]2[C@@H](C[C@@H](C(=O)[O-])[N@@H+]2C)C1 251599129 572585589 /nfs/dbraw/zinc/58/55/89/572585589.db2.gz CQGBVYPEUSQFCT-KYXWUPHJSA-N 0 0 197.278 1.580 10 0 ADAERN NNCCCc1c(F)cccc1F 402909043 572585604 /nfs/dbraw/zinc/58/56/04/572585604.db2.gz YLNGFKLEDMZESL-UHFFFAOYSA-N 0 0 186.205 1.361 10 0 ADAERN O=C1C[C@H](CO)Cc2ccsc21 74300563 572585768 /nfs/dbraw/zinc/58/57/68/572585768.db2.gz HPSHSBHGCTXVTD-ZCFIWIBFSA-N 0 0 182.244 1.486 10 0 ADAERN Cc1cc[nH]c1[C@H](C)N(O)C(N)=O 74299645 572585822 /nfs/dbraw/zinc/58/58/22/572585822.db2.gz FONXMABWZQIMHF-LURJTMIESA-N 0 0 183.211 1.154 10 0 ADAERN O=C1CC[C@@H](CCCCCO)O1 114729780 572585837 /nfs/dbraw/zinc/58/58/37/572585837.db2.gz MHMYBBXKMHYOIA-MRVPVSSYSA-N 0 0 172.224 1.245 10 0 ADAERN CCCONC(=O)c1ccc(O)cc1 114727470 572585863 /nfs/dbraw/zinc/58/58/63/572585863.db2.gz OBUYKKHXJBSJNL-UHFFFAOYSA-N 0 0 195.218 1.464 10 0 ADAERN CO[C@H]1CCC[C@@H](CCCO)C1 238348267 572585866 /nfs/dbraw/zinc/58/58/66/572585866.db2.gz PNYHVXVQEZREIB-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN COC(OC)[C@H](C1=CCC=C1)[C@@H](C)O 238347361 572585884 /nfs/dbraw/zinc/58/58/84/572585884.db2.gz RZZBJMOGAWSVLI-SCZZXKLOSA-N 0 0 198.262 1.489 10 0 ADAERN O=C1OCc2c(F)ccc(F)c21 114713121 572585913 /nfs/dbraw/zinc/58/59/13/572585913.db2.gz VDEXVSLNHMQSID-UHFFFAOYSA-N 0 0 170.114 1.635 10 0 ADAERN C[C@@H](NCC(F)F)c1ccon1 308068280 572585917 /nfs/dbraw/zinc/58/59/17/572585917.db2.gz ZVRILZITUJGDQI-RXMQYKEDSA-N 0 0 176.166 1.590 10 0 ADAERN CON(C)C(=O)c1ccc(C=O)cc1 238347744 572585966 /nfs/dbraw/zinc/58/59/66/572585966.db2.gz JTRYCCGTFFCLTR-UHFFFAOYSA-N 0 0 193.202 1.133 10 0 ADAERN COC1CCC(OC[C@@H](C)O)CC1 686234713 572585985 /nfs/dbraw/zinc/58/59/85/572585985.db2.gz JRGBAMCAOHFXMA-XNWIYYODSA-N 0 0 188.267 1.341 10 0 ADAERN CO[C@@H]1C[C@@H](n2cc[nH]c2=O)C1(C)C 234767377 572586066 /nfs/dbraw/zinc/58/60/66/572586066.db2.gz PIHGPIAWSARPDP-HTQZYQBOSA-N 0 0 196.250 1.162 10 0 ADAERN Cc1nn(C)c(N)c1C1CCCC1 107127096 572586130 /nfs/dbraw/zinc/58/61/30/572586130.db2.gz WQTZNBPBAZPPIQ-UHFFFAOYSA-N 0 0 179.267 1.968 10 0 ADAERN OCCCN[C@@H](C(F)F)C1CC1 308068660 572586210 /nfs/dbraw/zinc/58/62/10/572586210.db2.gz AIMSQWDVMFZOLO-SSDOTTSWSA-N 0 0 179.210 1.002 10 0 ADAERN O=C1CCC2=Nc3ccccc3CN12 114729476 572586289 /nfs/dbraw/zinc/58/62/89/572586289.db2.gz QTCVMFVJTOMFHA-UHFFFAOYSA-N 0 0 186.214 1.853 10 0 ADAERN Cc1cc[nH]c1[C@@H](C)N(O)C(N)=O 74299643 572586291 /nfs/dbraw/zinc/58/62/91/572586291.db2.gz FONXMABWZQIMHF-ZCFIWIBFSA-N 0 0 183.211 1.154 10 0 ADAERN CC[C@H](N1CC(O)C1)C(F)(F)F 74299848 572586302 /nfs/dbraw/zinc/58/63/02/572586302.db2.gz ZQVRMMGFKWMGHV-LURJTMIESA-N 0 0 183.173 1.004 10 0 ADAERN COC(OC)[C@@H](C1=CCC=C1)[C@H](C)O 238351758 572586426 /nfs/dbraw/zinc/58/64/26/572586426.db2.gz RZZBJMOGAWSVLI-WCBMZHEXSA-N 0 0 198.262 1.489 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])C1CCC1 87586428 572586656 /nfs/dbraw/zinc/58/66/56/572586656.db2.gz OYWYPMRYWSKCOA-RKDXNWHRSA-N 0 0 185.267 1.615 10 0 ADAERN CCOC(=O)[C@H](NC1CC1)C1CCC1 87585360 572586680 /nfs/dbraw/zinc/58/66/80/572586680.db2.gz XJVIZTCMKGCIHB-SNVBAGLBSA-N 0 0 197.278 1.470 10 0 ADAERN O=C([O-])[C@@H]([NH2+]CC1CC1)C1CCC1 87585430 572586703 /nfs/dbraw/zinc/58/67/03/572586703.db2.gz IODTXYPRJJPHMQ-VIFPVBQESA-N 0 0 183.251 1.239 10 0 ADAERN COC(OC)[C@H](O)[C@H](C)C1C=CC=C1 238351530 572587435 /nfs/dbraw/zinc/58/74/35/572587435.db2.gz JTSHKGUMMVLNBB-PSASIEDQSA-N 0 0 198.262 1.345 10 0 ADAERN CCCN[C@H](C(=O)OC)C1CCC1 87585354 572586728 /nfs/dbraw/zinc/58/67/28/572586728.db2.gz LDCVIBXIDRFFQX-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN CCOC(=O)/C=C(/CC)N1CCCC1 114696504 572586734 /nfs/dbraw/zinc/58/67/34/572586734.db2.gz WNCVPDCOEPKUJT-KTKRTIGZSA-N 0 0 197.278 1.939 10 0 ADAERN CCNc1cc(F)c2c(c1)C(=O)CO2 714092972 572586746 /nfs/dbraw/zinc/58/67/46/572586746.db2.gz HYOGFZMXEITSSI-UHFFFAOYSA-N 0 0 195.193 1.833 10 0 ADAERN COC(=O)[C@H](C)CC(=O)C1CCC1 87585909 572587159 /nfs/dbraw/zinc/58/71/59/572587159.db2.gz KHKWUBNCODUSIP-SSDOTTSWSA-N 0 0 184.235 1.555 10 0 ADAERN CC[C@@H](OC)C(=O)OCC(C)C 114767585 572586760 /nfs/dbraw/zinc/58/67/60/572586760.db2.gz BVGRSGSFEIMTRH-MRVPVSSYSA-N 0 0 174.240 1.611 10 0 ADAERN CC(=O)Oc1cccc2c1OCC2=O 714092907 572586775 /nfs/dbraw/zinc/58/67/75/572586775.db2.gz HCWYBXYXAOZMDD-UHFFFAOYSA-N 0 0 192.170 1.187 10 0 ADAERN CCOC(=O)[C@@H]1N=CO[C@@H]1C1CCC1 87586466 572586786 /nfs/dbraw/zinc/58/67/86/572586786.db2.gz AOTQZMIHGVIZPO-RKDXNWHRSA-N 0 0 197.234 1.145 10 0 ADAERN COC(=O)CCC(=O)C1CCC1 87585905 572586825 /nfs/dbraw/zinc/58/68/25/572586825.db2.gz OPWXHWSZVMLZEM-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN C/C=C\CCNC(=O)N1CCC1 308068239 572586882 /nfs/dbraw/zinc/58/68/82/572586882.db2.gz ZTDOKHSOHLEQRI-IHWYPQMZSA-N 0 0 168.240 1.368 10 0 ADAERN O=C([O-])[C@H]([NH2+]C1CCCC1)C1CCC1 87585437 572586907 /nfs/dbraw/zinc/58/69/07/572586907.db2.gz XZIKIFYGBCHSKW-SNVBAGLBSA-N 0 0 197.278 1.772 10 0 ADAERN CCN[C@H](C(=O)OCC)C1CCC1 87585348 572586919 /nfs/dbraw/zinc/58/69/19/572586919.db2.gz YFUUKTMAEICTNE-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])C1CCC1 87586425 572586935 /nfs/dbraw/zinc/58/69/35/572586935.db2.gz OYWYPMRYWSKCOA-IUCAKERBSA-N 0 0 185.267 1.615 10 0 ADAERN CCCCn1nc(NC2CC2)nc1N 87587123 572586951 /nfs/dbraw/zinc/58/69/51/572586951.db2.gz MVPWINIIAUCNQS-UHFFFAOYSA-N 0 0 195.270 1.235 10 0 ADAERN CC(C)([NH3+])[C@H](CC(=O)[O-])C1CCC1 87586432 572586981 /nfs/dbraw/zinc/58/69/81/572586981.db2.gz ROENMCCXMDASTG-MRVPVSSYSA-N 0 0 185.267 1.615 10 0 ADAERN CCCNc1nc(N)n(CCC)n1 87587102 572587002 /nfs/dbraw/zinc/58/70/02/572587002.db2.gz MLHKKPAISPPQSU-UHFFFAOYSA-N 0 0 183.259 1.092 10 0 ADAERN CCCOC[C@@H](O)c1cscn1 87589457 572591161 /nfs/dbraw/zinc/59/11/61/572591161.db2.gz MHBWOABUPBUEBU-MRVPVSSYSA-N 0 0 187.264 1.603 10 0 ADAERN COC(=O)[C@H](C)C[C@@H](O)C1CCC1 87585935 572587034 /nfs/dbraw/zinc/58/70/34/572587034.db2.gz OZNMNIBOTZBDEV-VXNVDRBHSA-N 0 0 186.251 1.347 10 0 ADAERN COC(OC)[C@@H](C1=CC=CC1)[C@@H](C)O 238351711 572587098 /nfs/dbraw/zinc/58/70/98/572587098.db2.gz GRNQYOMIOGKFDZ-PSASIEDQSA-N 0 0 198.262 1.489 10 0 ADAERN Cn1nccc1CC[C@@H](O)CC1CC1 230793985 572587105 /nfs/dbraw/zinc/58/71/05/572587105.db2.gz SVDDSSZJKIKVNG-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN CCCCn1nc(NCCC)nc1N 87587125 572587107 /nfs/dbraw/zinc/58/71/07/572587107.db2.gz CISCQRITWVYPNF-UHFFFAOYSA-N 0 0 197.286 1.482 10 0 ADAERN COC(=O)C[C@H](C)[C@H](O)C1CCC1 87585924 572587126 /nfs/dbraw/zinc/58/71/26/572587126.db2.gz ZJUOONLEGPZVAL-XVKPBYJWSA-N 0 0 186.251 1.347 10 0 ADAERN CCOC(=O)[C@@H]1N=CO[C@H]1C1CCC1 87586464 572587138 /nfs/dbraw/zinc/58/71/38/572587138.db2.gz AOTQZMIHGVIZPO-BDAKNGLRSA-N 0 0 197.234 1.145 10 0 ADAERN CCCC[C@H](C)[C@@H](O)[C@@H](C)CO 308068518 572587150 /nfs/dbraw/zinc/58/71/50/572587150.db2.gz ANSPGPWVRDWEMR-LPEHRKFASA-N 0 0 174.284 1.802 10 0 ADAERN COC(=O)[C@@H](CC1CC1)C(C)=O 114715058 572587171 /nfs/dbraw/zinc/58/71/71/572587171.db2.gz HDBFTZDPCCHTEW-QMMMGPOBSA-N 0 0 170.208 1.165 10 0 ADAERN CCN(CC)c1nc(N)n(C(C)C)n1 87587851 572587183 /nfs/dbraw/zinc/58/71/83/572587183.db2.gz BIEYMNHRUVKIQW-UHFFFAOYSA-N 0 0 197.286 1.287 10 0 ADAERN O=C([O-])[C@@H]([NH2+]C1CCCC1)C1CCC1 87585436 572587187 /nfs/dbraw/zinc/58/71/87/572587187.db2.gz XZIKIFYGBCHSKW-JTQLQIEISA-N 0 0 197.278 1.772 10 0 ADAERN CCCCn1nc(NC(C)C)nc1N 87587127 572587191 /nfs/dbraw/zinc/58/71/91/572587191.db2.gz SVSRHTXYXXQAOL-UHFFFAOYSA-N 0 0 197.286 1.481 10 0 ADAERN CC[C@H](C)[C@H]1C[C@H](O)CCO1 69850628 572591088 /nfs/dbraw/zinc/59/10/88/572591088.db2.gz DCMXDZUFNIMXIV-DJLDLDEBSA-N 0 0 158.241 1.572 10 0 ADAERN CC[NH+](CC)[C@@H](CC(=O)[O-])C1CCC1 87586336 572587211 /nfs/dbraw/zinc/58/72/11/572587211.db2.gz FBGNQFYHRWERHR-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CCCC[C@H](C)[C@H](O)[C@H](C)CO 308068494 572587222 /nfs/dbraw/zinc/58/72/22/572587222.db2.gz ANSPGPWVRDWEMR-AEJSXWLSSA-N 0 0 174.284 1.802 10 0 ADAERN CCCNc1nc(N)n([C@@H](C)CC)n1 87587137 572587250 /nfs/dbraw/zinc/58/72/50/572587250.db2.gz AMUXLEVGVDPXJV-ZETCQYMHSA-N 0 0 197.286 1.653 10 0 ADAERN O[C@H]1CCO[C@H](Cc2ccccc2)C1 69850717 572591096 /nfs/dbraw/zinc/59/10/96/572591096.db2.gz BMKHAXBXHPGZPN-NWDGAFQWSA-N 0 0 192.258 1.769 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])C1CCC1 87585336 572587320 /nfs/dbraw/zinc/58/73/20/572587320.db2.gz GTKGSXTZMONNLH-QMMMGPOBSA-N 0 0 171.240 1.239 10 0 ADAERN COc1ccc(C(C)=O)c2c1OCC2 214676573 572587353 /nfs/dbraw/zinc/58/73/53/572587353.db2.gz OTYPJEAIRKHKSB-UHFFFAOYSA-N 0 0 192.214 1.833 10 0 ADAERN COC(=O)[C@H](NC1CC1)C1CCC1 87585358 572587463 /nfs/dbraw/zinc/58/74/63/572587463.db2.gz BPWJRIPSXVJUKX-SECBINFHSA-N 0 0 183.251 1.080 10 0 ADAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])C1CCC1 87585455 572587508 /nfs/dbraw/zinc/58/75/08/572587508.db2.gz RXLHVRMVDARIRL-CBAPKCEASA-N 0 0 185.267 1.628 10 0 ADAERN COC(=O)[C@@H](C)C[C@H](O)C1CCC1 87585932 572587578 /nfs/dbraw/zinc/58/75/78/572587578.db2.gz OZNMNIBOTZBDEV-CBAPKCEASA-N 0 0 186.251 1.347 10 0 ADAERN COCCCOC1CCCC1 238350900 572587647 /nfs/dbraw/zinc/58/76/47/572587647.db2.gz NAGBFUTTWBDKCM-UHFFFAOYSA-N 0 0 158.241 1.982 10 0 ADAERN CCCC[C@H](C)[C@@H](O)[C@H](C)CO 308068510 572587658 /nfs/dbraw/zinc/58/76/58/572587658.db2.gz ANSPGPWVRDWEMR-IVZWLZJFSA-N 0 0 174.284 1.802 10 0 ADAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])C1CCC1 87585456 572587665 /nfs/dbraw/zinc/58/76/65/572587665.db2.gz RXLHVRMVDARIRL-VXNVDRBHSA-N 0 0 185.267 1.628 10 0 ADAERN CCNc1nc(N)n(CCC(C)C)n1 87587174 572587685 /nfs/dbraw/zinc/58/76/85/572587685.db2.gz REOLZYCFTSGFCH-UHFFFAOYSA-N 0 0 197.286 1.338 10 0 ADAERN COC(=O)[C@@H](C)C[C@@H](O)C1CCC1 87585934 572587722 /nfs/dbraw/zinc/58/77/22/572587722.db2.gz OZNMNIBOTZBDEV-IONNQARKSA-N 0 0 186.251 1.347 10 0 ADAERN COC(OC)[C@H](O)[C@H](C)C1=CCC=C1 238351517 572587748 /nfs/dbraw/zinc/58/77/48/572587748.db2.gz WBEXBDHXEQHLNR-PSASIEDQSA-N 0 0 198.262 1.489 10 0 ADAERN CNCC(=O)c1cc(C(C)C)no1 74300734 572592392 /nfs/dbraw/zinc/59/23/92/572592392.db2.gz ZQENKIFGEPQNTH-UHFFFAOYSA-N 0 0 182.223 1.200 10 0 ADAERN CCCn1nc(NCC(C)C)nc1N 87587098 572587763 /nfs/dbraw/zinc/58/77/63/572587763.db2.gz QNWNXRAZCLTCQD-UHFFFAOYSA-N 0 0 197.286 1.338 10 0 ADAERN COC(=O)[C@@H](NC1CC1)C1CCC1 87585359 572587774 /nfs/dbraw/zinc/58/77/74/572587774.db2.gz BPWJRIPSXVJUKX-VIFPVBQESA-N 0 0 183.251 1.080 10 0 ADAERN COC(=O)C[C@H](C)[C@@H](O)C1CCC1 87585926 572587817 /nfs/dbraw/zinc/58/78/17/572587817.db2.gz ZJUOONLEGPZVAL-OIBJUYFYSA-N 0 0 186.251 1.347 10 0 ADAERN Cc1cc2c(c(C)c1O)C(=O)CO2 714092483 572587858 /nfs/dbraw/zinc/58/78/58/572587858.db2.gz ABASAIIXAMFKED-UHFFFAOYSA-N 0 0 178.187 1.584 10 0 ADAERN CC[C@@H](C)N[C@@H](C(=O)OC)C1CCC1 87585460 572587882 /nfs/dbraw/zinc/58/78/82/572587882.db2.gz KVKCZSCTEFEWKQ-PSASIEDQSA-N 0 0 199.294 1.716 10 0 ADAERN CC[NH+](CC)[C@H](CC(=O)[O-])C1CCC1 87586337 572587908 /nfs/dbraw/zinc/58/79/08/572587908.db2.gz FBGNQFYHRWERHR-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)[C@H](NCC1CC1)C1CCC1 87585432 572587944 /nfs/dbraw/zinc/58/79/44/572587944.db2.gz LFVYLCFQSPSFAY-SNVBAGLBSA-N 0 0 197.278 1.328 10 0 ADAERN CC(=O)[C@@H](c1cccnc1)N(C)C 114789435 572587986 /nfs/dbraw/zinc/58/79/86/572587986.db2.gz NNOIYUIKPCIZOQ-JTQLQIEISA-N 0 0 178.235 1.273 10 0 ADAERN C[C@H]([NH3+])[C@H](CC(=O)[O-])C1CCC1 87586419 572588020 /nfs/dbraw/zinc/58/80/20/572588020.db2.gz KQLNLLBXZSFKBQ-XPUUQOCRSA-N 0 0 171.240 1.225 10 0 ADAERN CCOC(=O)[C@H](C)c1cc(C)n[nH]1 114824918 572588030 /nfs/dbraw/zinc/58/80/30/572588030.db2.gz ZHJLAFQVVZAQDA-SSDOTTSWSA-N 0 0 182.223 1.385 10 0 ADAERN CC(=O)C[C@H](C)C(=O)C1CCC1 87585700 572588034 /nfs/dbraw/zinc/58/80/34/572588034.db2.gz WRDXROJNAWWYQD-ZETCQYMHSA-N 0 0 168.236 1.971 10 0 ADAERN COC(=O)C[C@H](C)C(=O)C1CCC1 87585906 572588066 /nfs/dbraw/zinc/58/80/66/572588066.db2.gz IVXMINKFFWGLIU-ZETCQYMHSA-N 0 0 184.235 1.555 10 0 ADAERN CC(C)C[NH2+][C@@H](C(=O)[O-])C1CCC1 87585421 572588072 /nfs/dbraw/zinc/58/80/72/572588072.db2.gz UANGUOXHAQQXRY-SECBINFHSA-N 0 0 185.267 1.485 10 0 ADAERN [NH3+][C@@H](CCC(=O)[O-])CC1CCC1 87586186 572588075 /nfs/dbraw/zinc/58/80/75/572588075.db2.gz WZOWYVSBNMAWCC-QMMMGPOBSA-N 0 0 171.240 1.369 10 0 ADAERN COC(=O)C[C@@H](C)[C@H](O)C1CCC1 87585925 572588130 /nfs/dbraw/zinc/58/81/30/572588130.db2.gz ZJUOONLEGPZVAL-XCBNKYQSSA-N 0 0 186.251 1.347 10 0 ADAERN CCOC(=O)[C@@H](NC(C)C)C1CCC1 87585345 572588137 /nfs/dbraw/zinc/58/81/37/572588137.db2.gz CGMSGLKGUPLNBK-JTQLQIEISA-N 0 0 199.294 1.716 10 0 ADAERN OCCCN[C@H](C(F)F)C1CC1 308068665 572588145 /nfs/dbraw/zinc/58/81/45/572588145.db2.gz AIMSQWDVMFZOLO-ZETCQYMHSA-N 0 0 179.210 1.002 10 0 ADAERN COC(=N)c1ccc(F)c(OC)c1 234496208 572588146 /nfs/dbraw/zinc/58/81/46/572588146.db2.gz HYCAGBSGCAYTBS-UHFFFAOYSA-N 0 0 183.182 1.806 10 0 ADAERN CCCC[C@H](C)[C@H](O)[C@@H](C)CO 308068503 572588160 /nfs/dbraw/zinc/58/81/60/572588160.db2.gz ANSPGPWVRDWEMR-GUBZILKMSA-N 0 0 174.284 1.802 10 0 ADAERN CCCNc1nc(N)n(CC(C)C)n1 87587041 572588165 /nfs/dbraw/zinc/58/81/65/572588165.db2.gz TXQMWURIGZNZAL-UHFFFAOYSA-N 0 0 197.286 1.338 10 0 ADAERN CC[NH+](CC)[C@@H](C(=O)[O-])C1CCC1 87585759 572588193 /nfs/dbraw/zinc/58/81/93/572588193.db2.gz IMVMFXBMJXOLBM-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN CCCN[C@@H](C(=O)OCC)C1CCC1 87585357 572588198 /nfs/dbraw/zinc/58/81/98/572588198.db2.gz SWBFMGUWLKXORN-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H]([NH3+])[C@H](CC(=O)[O-])C1CCC1 87586427 572588207 /nfs/dbraw/zinc/58/82/07/572588207.db2.gz OYWYPMRYWSKCOA-BDAKNGLRSA-N 0 0 185.267 1.615 10 0 ADAERN COC(=O)[C@@H](NCC(C)C)C1CCC1 87585422 572588214 /nfs/dbraw/zinc/58/82/14/572588214.db2.gz RTZWKMLHRQIKBC-JTQLQIEISA-N 0 0 199.294 1.574 10 0 ADAERN COC(=O)[C@H](C)C[C@H](O)C1CCC1 87585933 572588239 /nfs/dbraw/zinc/58/82/39/572588239.db2.gz OZNMNIBOTZBDEV-APPZFPTMSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@H](C)N[C@@H](C(=O)OC)C1CCC1 87585461 572588258 /nfs/dbraw/zinc/58/82/58/572588258.db2.gz KVKCZSCTEFEWKQ-WCBMZHEXSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)([NH3+])[C@@H](CC(=O)[O-])C1CCC1 87586431 572588283 /nfs/dbraw/zinc/58/82/83/572588283.db2.gz ROENMCCXMDASTG-QMMMGPOBSA-N 0 0 185.267 1.615 10 0 ADAERN COC(=O)C[C@@H](C)[C@@H](O)C1CCC1 87585927 572588289 /nfs/dbraw/zinc/58/82/89/572588289.db2.gz ZJUOONLEGPZVAL-GMSGAONNSA-N 0 0 186.251 1.347 10 0 ADAERN O=C([O-])[C@H]([NH2+]CC1CC1)C1CCC1 87585431 572588301 /nfs/dbraw/zinc/58/83/01/572588301.db2.gz IODTXYPRJJPHMQ-SECBINFHSA-N 0 0 183.251 1.239 10 0 ADAERN CCOC(=O)[C@@H](NC1CC1)C1CCC1 87585361 572588329 /nfs/dbraw/zinc/58/83/29/572588329.db2.gz XJVIZTCMKGCIHB-JTQLQIEISA-N 0 0 197.278 1.470 10 0 ADAERN CC(=O)C[C@@H](C)C(=O)C1CCC1 87585701 572588351 /nfs/dbraw/zinc/58/83/51/572588351.db2.gz WRDXROJNAWWYQD-SSDOTTSWSA-N 0 0 168.236 1.971 10 0 ADAERN COC(OC)[C@@H](C1=CC=CC1)[C@H](C)O 238351750 572588396 /nfs/dbraw/zinc/58/83/96/572588396.db2.gz GRNQYOMIOGKFDZ-WCBMZHEXSA-N 0 0 198.262 1.489 10 0 ADAERN COc1cc(N)cc2c1CC(=O)CC2 714095968 572595295 /nfs/dbraw/zinc/59/52/95/572595295.db2.gz 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572596650 /nfs/dbraw/zinc/59/66/50/572596650.db2.gz MDBGXPSWFFTITK-UHFFFAOYSA-N 0 0 196.227 1.889 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])C1CCC1 87585339 572588698 /nfs/dbraw/zinc/58/86/98/572588698.db2.gz ZBRARHGVKGXTAU-MRVPVSSYSA-N 0 0 171.240 1.238 10 0 ADAERN COC(=O)[C@H](NC(C)C)C1CCC1 87585343 572588737 /nfs/dbraw/zinc/58/87/37/572588737.db2.gz RVJMHIKSKFHFDH-SECBINFHSA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@@H](C)N[C@H](C(=O)OC)C1CCC1 87585458 572588752 /nfs/dbraw/zinc/58/87/52/572588752.db2.gz KVKCZSCTEFEWKQ-SCZZXKLOSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H](C)N[C@H](C(=O)OC)C1CCC1 87585459 572588873 /nfs/dbraw/zinc/58/88/73/572588873.db2.gz KVKCZSCTEFEWKQ-WPRPVWTQSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@H]1CCC[C@H](CCCO)C1 238350843 572588877 /nfs/dbraw/zinc/58/88/77/572588877.db2.gz PNYHVXVQEZREIB-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])C1CCC1 87586426 572588908 /nfs/dbraw/zinc/58/89/08/572588908.db2.gz OYWYPMRYWSKCOA-DTWKUNHWSA-N 0 0 185.267 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CCCNc1nc(N)n([C@H](C)CC)n1 87587138 572589344 /nfs/dbraw/zinc/58/93/44/572589344.db2.gz AMUXLEVGVDPXJV-SSDOTTSWSA-N 0 0 197.286 1.653 10 0 ADAERN CC(C)OCC(=O)c1cscn1 87589031 572591071 /nfs/dbraw/zinc/59/10/71/572591071.db2.gz OGQPDHWWNAIONK-UHFFFAOYSA-N 0 0 185.248 1.751 10 0 ADAERN O=c1cc(OCC2CCCCC2)c1=O 205650734 572589426 /nfs/dbraw/zinc/58/94/26/572589426.db2.gz OWRZCNZYMXKUDK-UHFFFAOYSA-N 0 0 194.230 1.242 10 0 ADAERN COC(=O)[C@@H](NCC1CC1)C1CCC1 87585433 572589441 /nfs/dbraw/zinc/58/94/41/572589441.db2.gz LFVYLCFQSPSFAY-JTQLQIEISA-N 0 0 197.278 1.328 10 0 ADAERN CCC(=O)OCC(=O)C(C)(C)F 308068301 572589447 /nfs/dbraw/zinc/58/94/47/572589447.db2.gz ZWXOLRADPUBMAU-UHFFFAOYSA-N 0 0 176.187 1.257 10 0 ADAERN Cc1noc(C(=O)CN)c1C(C)C 74300640 572589463 /nfs/dbraw/zinc/58/94/63/572589463.db2.gz DEXZYDJYJPNOIQ-UHFFFAOYSA-N 0 0 182.223 1.248 10 0 ADAERN CCCCn1nc(NCC)nc1N 87587124 572589494 /nfs/dbraw/zinc/58/94/94/572589494.db2.gz UPCSUJURIGXVSJ-UHFFFAOYSA-N 0 0 183.259 1.092 10 0 ADAERN 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/nfs/dbraw/zinc/58/96/93/572589693.db2.gz KQVJHTMIUIVVTM-QPJJXVBHSA-N 0 0 195.262 1.453 10 0 ADAERN CC[C@@H](C)[NH2+][C@H](C(=O)[O-])C1CCC1 87585454 572589701 /nfs/dbraw/zinc/58/97/01/572589701.db2.gz RXLHVRMVDARIRL-APPZFPTMSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@H]1CC[C@@H]2[C@H](C[C@@H](C(=O)[O-])[N@@H+]2C)C1 251599130 572589727 /nfs/dbraw/zinc/58/97/27/572589727.db2.gz CQGBVYPEUSQFCT-RGOKHQFPSA-N 0 0 197.278 1.580 10 0 ADAERN CCCN[C@H](C(=O)OCC)C1CCC1 87585356 572589720 /nfs/dbraw/zinc/58/97/20/572589720.db2.gz SWBFMGUWLKXORN-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN C/C=C/C[C@@H](O)CCC(=O)OC 238352329 572589735 /nfs/dbraw/zinc/58/97/35/572589735.db2.gz WWZHWFNYLYEGOV-MPJRPATESA-N 0 0 172.224 1.267 10 0 ADAERN O=C(CSc1cccs1)N1CC1 308068621 572589813 /nfs/dbraw/zinc/58/98/13/572589813.db2.gz AFKAGSKWSVJKCN-UHFFFAOYSA-N 0 0 199.300 1.682 10 0 ADAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])C1CCC1 87585457 572589820 /nfs/dbraw/zinc/58/98/20/572589820.db2.gz RXLHVRMVDARIRL-IONNQARKSA-N 0 0 185.267 1.628 10 0 ADAERN CCOC(=O)[C@H](NC(C)C)C1CCC1 87585344 572589841 /nfs/dbraw/zinc/58/98/41/572589841.db2.gz CGMSGLKGUPLNBK-SNVBAGLBSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)[NH2+][C@H](C(=O)[O-])C1CCC1 87585338 572589898 /nfs/dbraw/zinc/58/98/98/572589898.db2.gz ZBRARHGVKGXTAU-QMMMGPOBSA-N 0 0 171.240 1.238 10 0 ADAERN C[C@H](NCC(F)F)c1ccon1 308068281 572589915 /nfs/dbraw/zinc/58/99/15/572589915.db2.gz ZVRILZITUJGDQI-YFKPBYRVSA-N 0 0 176.166 1.590 10 0 ADAERN C[C@@H]([NH3+])[C@H](CC(=O)[O-])C1CCC1 87586420 572589962 /nfs/dbraw/zinc/58/99/62/572589962.db2.gz KQLNLLBXZSFKBQ-SVRRBLITSA-N 0 0 171.240 1.225 10 0 ADAERN CCc1ccc(C(=O)OC)c(CO)c1 238352155 572589972 /nfs/dbraw/zinc/58/99/72/572589972.db2.gz HOOUZPMUJYZFPR-UHFFFAOYSA-N 0 0 194.230 1.528 10 0 ADAERN CCOC(=O)[C@@H](C)c1cc(C)n[nH]1 114824917 572590037 /nfs/dbraw/zinc/59/00/37/572590037.db2.gz ZHJLAFQVVZAQDA-ZETCQYMHSA-N 0 0 182.223 1.385 10 0 ADAERN COCO[C@H](C)c1ccc(CO)o1 238351743 572590093 /nfs/dbraw/zinc/59/00/93/572590093.db2.gz CLMNSBSFUSJYRI-SSDOTTSWSA-N 0 0 186.207 1.453 10 0 ADAERN CCO[C@H]1CCCC[C@H]1CC(N)=O 114867030 572590097 /nfs/dbraw/zinc/59/00/97/572590097.db2.gz RTPBEMWMARXYBK-IUCAKERBSA-N 0 0 185.267 1.457 10 0 ADAERN CC[C@@H](OCC(N)=O)c1ccccc1 403171508 572590293 /nfs/dbraw/zinc/59/02/93/572590293.db2.gz CVBQBSKGAHMHMW-SNVBAGLBSA-N 0 0 193.246 1.640 10 0 ADAERN CCN[C@@H](COC)c1cscn1 87595308 572590329 /nfs/dbraw/zinc/59/03/29/572590329.db2.gz WBYXSNHNAIJBKS-ZETCQYMHSA-N 0 0 186.280 1.440 10 0 ADAERN CCCOC[C@H](O)c1cscn1 87589456 572590344 /nfs/dbraw/zinc/59/03/44/572590344.db2.gz MHBWOABUPBUEBU-QMMMGPOBSA-N 0 0 187.264 1.603 10 0 ADAERN O[C@@H]1CCO[C@@H](c2cccnc2)C1 69850539 572590353 /nfs/dbraw/zinc/59/03/53/572590353.db2.gz OUQJUBPWVUMSNQ-NXEZZACHSA-N 0 0 179.219 1.294 10 0 ADAERN COC(=O)C=CNC(C)(C)C1CC1 234558368 572590355 /nfs/dbraw/zinc/59/03/55/572590355.db2.gz KDWVJHBMCOPJGA-VOTSOKGWSA-N 0 0 183.251 1.451 10 0 ADAERN CC(C)OC[C@H](O)c1cscn1 87589458 572590356 /nfs/dbraw/zinc/59/03/56/572590356.db2.gz ARCVIGZFZKOOJZ-QMMMGPOBSA-N 0 0 187.264 1.602 10 0 ADAERN CCC[C@@H](C)C[C@H](O)c1cn[nH]n1 87599627 572590360 /nfs/dbraw/zinc/59/03/60/572590360.db2.gz QZDVBMGCYYJNIN-APPZFPTMSA-N 0 0 183.255 1.664 10 0 ADAERN CCC[C@H](N)C(=O)c1ocnc1C 74300860 572590392 /nfs/dbraw/zinc/59/03/92/572590392.db2.gz XNEAYCJCQXJDHC-ZETCQYMHSA-N 0 0 182.223 1.293 10 0 ADAERN Cc1nc2n(n1)[C@H]1CCCC[C@@H]1CN2 236036041 572590303 /nfs/dbraw/zinc/59/03/03/572590303.db2.gz CPXUDMTYQMIAOW-BDAKNGLRSA-N 0 0 192.266 1.743 10 0 ADAERN CC[S@](N)(=O)=Nc1ccncc1C 404549227 572590447 /nfs/dbraw/zinc/59/04/47/572590447.db2.gz MEVXZRFGYWYGRY-CYBMUJFWSA-N 0 0 199.279 1.383 10 0 ADAERN CC(=O)[C@@H](c1cccs1)N(C)C 114789406 572590480 /nfs/dbraw/zinc/59/04/80/572590480.db2.gz QDFKYHDDIPBBFI-VIFPVBQESA-N 0 0 183.276 1.940 10 0 ADAERN O[C@@H]1CC=CCC[C@H]2C=C[C@H]1O2 308072705 572590584 /nfs/dbraw/zinc/59/05/84/572590584.db2.gz CCKYANUTDWTJDR-IVZWLZJFSA-N 0 0 166.220 1.411 10 0 ADAERN CCCCCc1cc(N)n(CCO)n1 90886571 572590591 /nfs/dbraw/zinc/59/05/91/572590591.db2.gz HEXXZFCBPCICLT-UHFFFAOYSA-N 0 0 197.282 1.190 10 0 ADAERN CN1NCCc2cc(Cl)ccc21 114864185 572590676 /nfs/dbraw/zinc/59/06/76/572590676.db2.gz BXNPFASXIOPWDJ-UHFFFAOYSA-N 0 0 182.654 1.837 10 0 ADAERN CCC(=O)CCc1cccc(CO)n1 114903510 572590697 /nfs/dbraw/zinc/59/06/97/572590697.db2.gz CZQCDGDBZCOODB-UHFFFAOYSA-N 0 0 193.246 1.486 10 0 ADAERN CC(=O)[C@@H](c1ccccn1)N(C)C 114789526 572590722 /nfs/dbraw/zinc/59/07/22/572590722.db2.gz YSRJRVBGEUHWHK-JTQLQIEISA-N 0 0 178.235 1.273 10 0 ADAERN O[C@H]1CCO[C@H](C2CCCC2)C1 69850631 572590750 /nfs/dbraw/zinc/59/07/50/572590750.db2.gz WCDSAIINLWAYNH-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CCS(=O)(=O)C1=CC(C)(C)N=N1 205658548 572590751 /nfs/dbraw/zinc/59/07/51/572590751.db2.gz YPOFCYYJAVFUEB-UHFFFAOYSA-N 0 0 188.252 1.507 10 0 ADAERN CCO[C@@H]1CCCC[C@H]1CC(N)=O 114867028 572590831 /nfs/dbraw/zinc/59/08/31/572590831.db2.gz RTPBEMWMARXYBK-DTWKUNHWSA-N 0 0 185.267 1.457 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WBYXSNHNAIJBKS-SSDOTTSWSA-N 0 0 186.280 1.440 10 0 ADAERN CC[C@]1(C)C[C@@H](O)CCO1 69852576 572591014 /nfs/dbraw/zinc/59/10/14/572591014.db2.gz INLJJUSJQMQLSQ-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN O[C@@H](CCC1CC1)c1cn[nH]n1 87598948 572591015 /nfs/dbraw/zinc/59/10/15/572591015.db2.gz CZBWWXQILFTUTR-QMMMGPOBSA-N 0 0 167.212 1.028 10 0 ADAERN CCn1cccc1/C=C/C(=O)OC 84817814 572591035 /nfs/dbraw/zinc/59/10/35/572591035.db2.gz LRZULTSWLSNZPT-VOTSOKGWSA-N 0 0 179.219 1.694 10 0 ADAERN Nc1cc(F)c(F)c2c(O)coc12 714094719 572591042 /nfs/dbraw/zinc/59/10/42/572591042.db2.gz CXGYFDUEOQKOML-UHFFFAOYSA-N 0 0 185.129 1.122 10 0 ADAERN CC[C@@]1(C)C[C@@H](O)CCO1 69852578 572591100 /nfs/dbraw/zinc/59/11/00/572591100.db2.gz INLJJUSJQMQLSQ-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H]1C[C@H](c2oncc2N)CCO1 74300895 572591114 /nfs/dbraw/zinc/59/11/14/572591114.db2.gz QJINDTNAYXYQNS-RNFRBKRXSA-N 0 0 182.223 1.539 10 0 ADAERN CO[C@H](C)CC1([C@H](C)O)CC1 234767581 572591166 /nfs/dbraw/zinc/59/11/66/572591166.db2.gz LEAKEWBVLVKTCK-SFYZADRCSA-N 0 0 158.241 1.572 10 0 ADAERN Cn1c(-n2ccnn2)nc2ccccc21 95922686 572591169 /nfs/dbraw/zinc/59/11/69/572591169.db2.gz GERNWBIUTVAJIB-UHFFFAOYSA-N 0 0 199.217 1.154 10 0 ADAERN CC[C@H](C)CC(=O)c1cn[nH]n1 87598448 572591171 /nfs/dbraw/zinc/59/11/71/572591171.db2.gz ODXABDGKQICJBB-LURJTMIESA-N 0 0 167.212 1.424 10 0 ADAERN C/C=C\[C@H](O)[C@@H](C)C1CC1 21419992 572591183 /nfs/dbraw/zinc/59/11/83/572591183.db2.gz YPTQIONMBSHLSE-NTBPWFARSA-N 0 0 140.226 1.970 10 0 ADAERN CC[C@]1(C)C[C@H](O)CCO1 69852574 572591184 /nfs/dbraw/zinc/59/11/84/572591184.db2.gz INLJJUSJQMQLSQ-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN CC(C)Cc1ncc(C(=O)CN)o1 74300642 572591251 /nfs/dbraw/zinc/59/12/51/572591251.db2.gz WUOFBHWAZWQLPJ-UHFFFAOYSA-N 0 0 182.223 1.015 10 0 ADAERN CCCCCCC(=O)c1cn[nH]n1 87598604 572591378 /nfs/dbraw/zinc/59/13/78/572591378.db2.gz JKTXTXLADIUTHS-UHFFFAOYSA-N 0 0 181.239 1.958 10 0 ADAERN C/C=C\CS(=O)(=O)CCC 307834568 572591441 /nfs/dbraw/zinc/59/14/41/572591441.db2.gz MXJCEZSTFXDWTR-HYXAFXHYSA-N 0 0 162.254 1.387 10 0 ADAERN CC(C)C(=O)[C@@H]1CC(F)(F)CN1 114789539 572591444 /nfs/dbraw/zinc/59/14/44/572591444.db2.gz CDSBGGCDCYNYBJ-LURJTMIESA-N 0 0 177.194 1.209 10 0 ADAERN O[C@H](/C=C\Cl)[C@@H]1CCCO1 307833583 572591481 /nfs/dbraw/zinc/59/14/81/572591481.db2.gz SBJINBRLHHFMGB-FKCQFORESA-N 0 0 162.616 1.279 10 0 ADAERN CC(C)C[C@@H]1C[C@H](O)CCO1 69850572 572591499 /nfs/dbraw/zinc/59/14/99/572591499.db2.gz DISGEETYVSJKEH-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN CCC[C@H](C)C[C@@H](O)c1cn[nH]n1 87599633 572591526 /nfs/dbraw/zinc/59/15/26/572591526.db2.gz QZDVBMGCYYJNIN-IONNQARKSA-N 0 0 183.255 1.664 10 0 ADAERN O=C(N/C=C/C1CC1)N1CCCC1 218976462 572591539 /nfs/dbraw/zinc/59/15/39/572591539.db2.gz SHBIDNFZCAKUNC-AATRIKPKSA-N 0 0 180.251 1.716 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cccnc1N 69843807 572591596 /nfs/dbraw/zinc/59/15/96/572591596.db2.gz BKDYSZDIGXHRTM-APPZFPTMSA-N 0 0 180.251 1.743 10 0 ADAERN 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192.262 1.887 10 0 ADAERN C[C@@]1(c2ccccn2)C[C@@H](O)CCO1 69852643 572591763 /nfs/dbraw/zinc/59/17/63/572591763.db2.gz QQYRECXYMZIETA-ONGXEEELSA-N 0 0 193.246 1.468 10 0 ADAERN CCCc1nc(C(=O)OCC)c(N)o1 85017554 572591766 /nfs/dbraw/zinc/59/17/66/572591766.db2.gz NCJAETKRMPRISJ-UHFFFAOYSA-N 0 0 198.222 1.386 10 0 ADAERN CCC[C@H](N)C(=O)c1cnc(C)o1 74300865 572591772 /nfs/dbraw/zinc/59/17/72/572591772.db2.gz WNURZLBIWIQPSE-ZETCQYMHSA-N 0 0 182.223 1.293 10 0 ADAERN CCO[C@H]1CCCC[C@@H]1CC(N)=O 114867026 572591801 /nfs/dbraw/zinc/59/18/01/572591801.db2.gz RTPBEMWMARXYBK-BDAKNGLRSA-N 0 0 185.267 1.457 10 0 ADAERN CSCCNC(=O)C1(F)CCC1 308069719 572591815 /nfs/dbraw/zinc/59/18/15/572591815.db2.gz APLVRUACIHPSRX-UHFFFAOYSA-N 0 0 191.271 1.358 10 0 ADAERN CC[C@H](C)C[C@@H](O)c1cn[nH]n1 87599147 572591883 /nfs/dbraw/zinc/59/18/83/572591883.db2.gz MQYPFUDRDCUPNT-POYBYMJQSA-N 0 0 169.228 1.274 10 0 ADAERN [NH3+]C1CCC(c2cc(=O)[n-]o2)CC1 74300770 572591894 /nfs/dbraw/zinc/59/18/94/572591894.db2.gz SWFQRXNLMUAXBP-UHFFFAOYSA-N 0 0 182.223 1.365 10 0 ADAERN O[C@@H]1CCO[C@H](c2cccnc2)C1 69850538 572591920 /nfs/dbraw/zinc/59/19/20/572591920.db2.gz OUQJUBPWVUMSNQ-ZJUUUORDSA-N 0 0 179.219 1.294 10 0 ADAERN COc1ccc([C@H](O)/C=C/CO)cc1 238353146 572591939 /nfs/dbraw/zinc/59/19/39/572591939.db2.gz SIFPXDPOKAJHFQ-KXMPLOMGSA-N 0 0 194.230 1.277 10 0 ADAERN O[C@H](CCC(F)(F)F)c1cn[nH]n1 87598881 572591949 /nfs/dbraw/zinc/59/19/49/572591949.db2.gz RXTPCMTYKDEJEC-RXMQYKEDSA-N 0 0 195.144 1.181 10 0 ADAERN CC[C@@H](C)NS(=O)(=O)[C@H](C)CC 165451078 572591951 /nfs/dbraw/zinc/59/19/51/572591951.db2.gz MHGXWZYTQAVZHJ-HTQZYQBOSA-N 0 0 193.312 1.503 10 0 ADAERN CC[NH2+][C@H](c1cnn[n-]1)C(C)(C)C 87600968 572592000 /nfs/dbraw/zinc/59/20/00/572592000.db2.gz LYFRBCGTRROCPW-MRVPVSSYSA-N 0 0 182.271 1.501 10 0 ADAERN CCC[C@H](N)C(=O)c1ncc(C)o1 74300857 572592022 /nfs/dbraw/zinc/59/20/22/572592022.db2.gz CCRJREZRRANJDN-ZETCQYMHSA-N 0 0 182.223 1.293 10 0 ADAERN COC(=O)c1n[nH]cc1CC(C)C 114901864 572592033 /nfs/dbraw/zinc/59/20/33/572592033.db2.gz VIVYUDQPEWZWEJ-UHFFFAOYSA-N 0 0 182.223 1.395 10 0 ADAERN CC[C@H](C)C[C@H](O)c1cn[nH]n1 87599143 572592043 /nfs/dbraw/zinc/59/20/43/572592043.db2.gz MQYPFUDRDCUPNT-XPUUQOCRSA-N 0 0 169.228 1.274 10 0 ADAERN COCC[C@@]1(C)CC(=O)CCO1 69853044 572592047 /nfs/dbraw/zinc/59/20/47/572592047.db2.gz HPUKKYHIHSGHQE-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CC[NH2+][C@H](c1cnn[n-]1)[C@@H](C)CC 87601064 572592062 /nfs/dbraw/zinc/59/20/62/572592062.db2.gz BFQRQKKTVBKFOZ-CBAPKCEASA-N 0 0 182.271 1.501 10 0 ADAERN COC(=O)/C=C/c1ccc(OC)nc1 84817902 572592085 /nfs/dbraw/zinc/59/20/85/572592085.db2.gz IPXUBSOAGOENDG-GQCTYLIASA-N 0 0 193.202 1.276 10 0 ADAERN CC(C)C[C@]1(C)C[C@@H](O)CCO1 69852987 572592102 /nfs/dbraw/zinc/59/21/02/572592102.db2.gz HCKJAZKBAGLDSB-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CCOC(=O)[C@H](C)c1nccs1 114824709 572592108 /nfs/dbraw/zinc/59/21/08/572592108.db2.gz ZIFVPGWZQORZPR-ZCFIWIBFSA-N 0 0 185.248 1.810 10 0 ADAERN O[C@H]1CCO[C@@H](Cc2ccccc2)C1 69850718 572592121 /nfs/dbraw/zinc/59/21/21/572592121.db2.gz BMKHAXBXHPGZPN-RYUDHWBXSA-N 0 0 192.258 1.769 10 0 ADAERN CC[NH2+][C@@H](c1cnn[n-]1)C(CC)CC 87601060 572592128 /nfs/dbraw/zinc/59/21/28/572592128.db2.gz QSPIOBLCOCHMMI-SNVBAGLBSA-N 0 0 196.298 1.892 10 0 ADAERN C/C(=C/CC[C@@H](C)O)CCCO 114788766 572592136 /nfs/dbraw/zinc/59/21/36/572592136.db2.gz PXIIDHGUTLMFST-HYHWUIIZSA-N 0 0 172.268 1.866 10 0 ADAERN CCC(CC)[C@@H](O)c1cn[nH]n1 87599622 572592139 /nfs/dbraw/zinc/59/21/39/572592139.db2.gz KENCNBJKSNIEFK-MRVPVSSYSA-N 0 0 169.228 1.274 10 0 ADAERN CC(=O)[C@H](c1cccs1)N(C)C 114789407 572592140 /nfs/dbraw/zinc/59/21/40/572592140.db2.gz QDFKYHDDIPBBFI-SECBINFHSA-N 0 0 183.276 1.940 10 0 ADAERN O[C@H](/C=C\Cl)[C@H]1CCCO1 307833585 572592161 /nfs/dbraw/zinc/59/21/61/572592161.db2.gz SBJINBRLHHFMGB-MLTUQKMXSA-N 0 0 162.616 1.279 10 0 ADAERN CCC(CC)[C@H]([NH2+]C)c1cnn[n-]1 87600796 572592162 /nfs/dbraw/zinc/59/21/62/572592162.db2.gz BIFZSRBLABJYOX-VIFPVBQESA-N 0 0 182.271 1.501 10 0 ADAERN CC(C)CC(=O)c1cccnc1N 69844571 572592166 /nfs/dbraw/zinc/59/21/66/572592166.db2.gz ANCWSRSUQPWXGP-UHFFFAOYSA-N 0 0 178.235 1.893 10 0 ADAERN CCC[C@H](C)[C@H]1C[C@H](O)CCO1 69850704 572592178 /nfs/dbraw/zinc/59/21/78/572592178.db2.gz ZLKHOHQSHRZTCR-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN COCC[C@]1(C)CC(=O)CCO1 69853045 572592188 /nfs/dbraw/zinc/59/21/88/572592188.db2.gz HPUKKYHIHSGHQE-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN Cc1nc2n(n1)[C@@H]1CCCC[C@@H]1CN2 236036052 572592240 /nfs/dbraw/zinc/59/22/40/572592240.db2.gz CPXUDMTYQMIAOW-RKDXNWHRSA-N 0 0 192.266 1.743 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cccnc1N 69843813 572592243 /nfs/dbraw/zinc/59/22/43/572592243.db2.gz BKDYSZDIGXHRTM-IONNQARKSA-N 0 0 180.251 1.743 10 0 ADAERN CC[NH2+][C@@H](c1cnn[n-]1)C(C)(C)C 87600967 572592247 /nfs/dbraw/zinc/59/22/47/572592247.db2.gz LYFRBCGTRROCPW-QMMMGPOBSA-N 0 0 182.271 1.501 10 0 ADAERN CCCOCC(=O)c1cscn1 87588914 572592262 /nfs/dbraw/zinc/59/22/62/572592262.db2.gz DLALQUOIMSUHJC-UHFFFAOYSA-N 0 0 185.248 1.752 10 0 ADAERN O=C(CCC1CC1)c1cn[nH]n1 87598534 572592268 /nfs/dbraw/zinc/59/22/68/572592268.db2.gz NYFIJGSYKXITMD-UHFFFAOYSA-N 0 0 165.196 1.178 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]1C[C@]12CC[N@H+](C)C2 251654307 572592269 /nfs/dbraw/zinc/59/22/69/572592269.db2.gz TUFHQVMKIAXJTC-YWVKMMECSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)(C)CC[C@H](O)c1cn[nH]n1 87599051 572592324 /nfs/dbraw/zinc/59/23/24/572592324.db2.gz RJVSIHYJGVJSLF-QMMMGPOBSA-N 0 0 183.255 1.664 10 0 ADAERN c1csc(COC[C@H]2CCOC2)n1 403021537 572592327 /nfs/dbraw/zinc/59/23/27/572592327.db2.gz LJCYUKPWFQFPJN-QMMMGPOBSA-N 0 0 199.275 1.696 10 0 ADAERN CCOC[C@H](NC)c1cscn1 87594899 572592335 /nfs/dbraw/zinc/59/23/35/572592335.db2.gz NSJNVJAFAVKYEM-ZETCQYMHSA-N 0 0 186.280 1.440 10 0 ADAERN CCC(CC)[C@@H]([NH2+]C)c1cnn[n-]1 87600797 572592369 /nfs/dbraw/zinc/59/23/69/572592369.db2.gz BIFZSRBLABJYOX-SECBINFHSA-N 0 0 182.271 1.501 10 0 ADAERN CO[C@@H]1CCC[C@H](OCCCO)C1 69849318 572592371 /nfs/dbraw/zinc/59/23/71/572592371.db2.gz BOHZDHBRHWITLF-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cccnc1N 69843810 572592400 /nfs/dbraw/zinc/59/24/00/572592400.db2.gz BKDYSZDIGXHRTM-VXNVDRBHSA-N 0 0 180.251 1.743 10 0 ADAERN C[C@H](O)C1(Cc2nccn2C)CC1 689679673 572592407 /nfs/dbraw/zinc/59/24/07/572592407.db2.gz DNIHAFAWXUFIJT-QMMMGPOBSA-N 0 0 180.251 1.124 10 0 ADAERN COC(=O)[C@H](C)[C@@H]1CC[C@@H](CO)C1 251659252 572592498 /nfs/dbraw/zinc/59/24/98/572592498.db2.gz UCQGSISUGQEXPD-IWSPIJDZSA-N 0 0 186.251 1.204 10 0 ADAERN CN1NCCc2ccc(Cl)cc21 114866182 572592510 /nfs/dbraw/zinc/59/25/10/572592510.db2.gz WIZFMWZLFADRRQ-UHFFFAOYSA-N 0 0 182.654 1.837 10 0 ADAERN C[C@@]1(c2ccccn2)C[C@H](O)CCO1 69852639 572592592 /nfs/dbraw/zinc/59/25/92/572592592.db2.gz QQYRECXYMZIETA-KOLCDFICSA-N 0 0 193.246 1.468 10 0 ADAERN CC(C)C[C@H](N)C(=O)c1cnco1 74300838 572592617 /nfs/dbraw/zinc/59/26/17/572592617.db2.gz 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572592800 /nfs/dbraw/zinc/59/28/00/572592800.db2.gz WSKKHJMNTYFIDF-SECBINFHSA-N 0 0 183.255 1.809 10 0 ADAERN CC(C)CC[C@@H](O)c1cn[nH]n1 87598861 572592812 /nfs/dbraw/zinc/59/28/12/572592812.db2.gz UWCHXQMVQCJHFD-MRVPVSSYSA-N 0 0 169.228 1.274 10 0 ADAERN CCCCC[C@H](O)c1cn[nH]n1 87599111 572592850 /nfs/dbraw/zinc/59/28/50/572592850.db2.gz WHVATRWTEIOQQK-QMMMGPOBSA-N 0 0 169.228 1.418 10 0 ADAERN C[C@]1(c2ccccn2)C[C@H](O)CCO1 69852638 572592894 /nfs/dbraw/zinc/59/28/94/572592894.db2.gz QQYRECXYMZIETA-MWLCHTKSSA-N 0 0 193.246 1.468 10 0 ADAERN CC(=O)[C@H](c1ccccn1)N(C)C 114789527 572592931 /nfs/dbraw/zinc/59/29/31/572592931.db2.gz YSRJRVBGEUHWHK-SNVBAGLBSA-N 0 0 178.235 1.273 10 0 ADAERN O[C@@H]1CCO[C@H](C2CCCC2)C1 69850629 572592907 /nfs/dbraw/zinc/59/29/07/572592907.db2.gz WCDSAIINLWAYNH-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN COC(=O)/C=C/c1cncn1C(C)C 84817884 572593058 /nfs/dbraw/zinc/59/30/58/572593058.db2.gz ONIRNWWEZGOUEA-SNAWJCMRSA-N 0 0 194.234 1.650 10 0 ADAERN 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170.130 1.543 10 0 ADAERN CCC[C@@H](C)C[C@@H](O)c1cn[nH]n1 87599631 572593330 /nfs/dbraw/zinc/59/33/30/572593330.db2.gz QZDVBMGCYYJNIN-VXNVDRBHSA-N 0 0 183.255 1.664 10 0 ADAERN C[C@@]1(c2ccncc2)CC(=O)CCO1 69853094 572593337 /nfs/dbraw/zinc/59/33/37/572593337.db2.gz JTEXSNJZMFTNJR-NSHDSACASA-N 0 0 191.230 1.676 10 0 ADAERN CC(C)C[C@@H]1C[C@@H](O)CCO1 69850574 572593346 /nfs/dbraw/zinc/59/33/46/572593346.db2.gz DISGEETYVSJKEH-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@H]1CCO[C@@H](c2cccnc2)C1 69850542 572593367 /nfs/dbraw/zinc/59/33/67/572593367.db2.gz OUQJUBPWVUMSNQ-VHSXEESVSA-N 0 0 179.219 1.294 10 0 ADAERN Nc1ncccc1[C@@H](O)C1CCCC1 69844042 572593370 /nfs/dbraw/zinc/59/33/70/572593370.db2.gz DWRWIXVSXIEXTN-JTQLQIEISA-N 0 0 192.262 1.887 10 0 ADAERN C/C=C/[C@H](O)[C@@H](C)C1CC1 21419995 572593381 /nfs/dbraw/zinc/59/33/81/572593381.db2.gz YPTQIONMBSHLSE-AHRVOVDLSA-N 0 0 140.226 1.970 10 0 ADAERN CC(C)CC[C@H](O)c1cn[nH]n1 87598857 572593388 /nfs/dbraw/zinc/59/33/88/572593388.db2.gz UWCHXQMVQCJHFD-QMMMGPOBSA-N 0 0 169.228 1.274 10 0 ADAERN CCc1[nH]c(=O)n(C(C)C)c1C=O 74300768 572593423 /nfs/dbraw/zinc/59/34/23/572593423.db2.gz ZDZPROUHYCMUBK-UHFFFAOYSA-N 0 0 182.223 1.132 10 0 ADAERN CCC[C@@H](N)C(=O)c1ncc(C)o1 74300859 572593631 /nfs/dbraw/zinc/59/36/31/572593631.db2.gz CCRJREZRRANJDN-SSDOTTSWSA-N 0 0 182.223 1.293 10 0 ADAERN CCC(CC)C(=O)c1cn[nH]n1 87598822 572593668 /nfs/dbraw/zinc/59/36/68/572593668.db2.gz SZXXHCNNRQRDMO-UHFFFAOYSA-N 0 0 167.212 1.424 10 0 ADAERN CC(C)C[C@]1(C)C[C@H](O)CCO1 69852984 572593695 /nfs/dbraw/zinc/59/36/95/572593695.db2.gz HCKJAZKBAGLDSB-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)C1(Cc2nccn2C)CC1 689679672 572593707 /nfs/dbraw/zinc/59/37/07/572593707.db2.gz DNIHAFAWXUFIJT-MRVPVSSYSA-N 0 0 180.251 1.124 10 0 ADAERN CC[C@H](C)[C@H](O)c1cccnc1N 69843808 572593728 /nfs/dbraw/zinc/59/37/28/572593728.db2.gz BKDYSZDIGXHRTM-CBAPKCEASA-N 0 0 180.251 1.743 10 0 ADAERN C[C@H]1C[C@@H](c2oncc2N)CCO1 74300902 572593756 /nfs/dbraw/zinc/59/37/56/572593756.db2.gz QJINDTNAYXYQNS-BQBZGAKWSA-N 0 0 182.223 1.539 10 0 ADAERN O[C@@H]1CCO[C@@H](C2CCCC2)C1 69850630 572593758 /nfs/dbraw/zinc/59/37/58/572593758.db2.gz WCDSAIINLWAYNH-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@H](C)[C@@H]([NH2+]C)c1cnn[n-]1 87600805 572593760 /nfs/dbraw/zinc/59/37/60/572593760.db2.gz GFZCSMKJBVMTQK-POYBYMJQSA-N 0 0 168.244 1.111 10 0 ADAERN COc1ccc([C@H](O)[C@H](C)N=O)cc1 238352956 572593764 /nfs/dbraw/zinc/59/37/64/572593764.db2.gz GMHUNQCMRQOASX-OIBJUYFYSA-N 0 0 195.218 1.884 10 0 ADAERN CC(C)OC[C@@H](O)c1cscn1 87589459 572593837 /nfs/dbraw/zinc/59/38/37/572593837.db2.gz ARCVIGZFZKOOJZ-MRVPVSSYSA-N 0 0 187.264 1.602 10 0 ADAERN CC(C)C[C@@]1(C)C[C@@H](O)CCO1 69852989 572593855 /nfs/dbraw/zinc/59/38/55/572593855.db2.gz HCKJAZKBAGLDSB-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN O[C@H]1CCO[C@@H](c2ccncc2)C1 69850750 572593858 /nfs/dbraw/zinc/59/38/58/572593858.db2.gz ASLJYFNQEPPXRZ-VHSXEESVSA-N 0 0 179.219 1.294 10 0 ADAERN CCC[C@]1(C)C[C@H](O)CCO1 69852608 572593871 /nfs/dbraw/zinc/59/38/71/572593871.db2.gz BDZOMQVTWNIZBP-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN COC(OC)(OC)c1cscn1 87595880 572593909 /nfs/dbraw/zinc/59/39/09/572593909.db2.gz AXOKSXVUDQXHHA-UHFFFAOYSA-N 0 0 189.236 1.193 10 0 ADAERN O[C@@H]1CCO[C@@H](Cc2ccccc2)C1 69850716 572593921 /nfs/dbraw/zinc/59/39/21/572593921.db2.gz BMKHAXBXHPGZPN-NEPJUHHUSA-N 0 0 192.258 1.769 10 0 ADAERN COC(=O)[C@H](C)[C@H]1CC[C@@H](CO)C1 251659248 572593957 /nfs/dbraw/zinc/59/39/57/572593957.db2.gz UCQGSISUGQEXPD-HLTSFMKQSA-N 0 0 186.251 1.204 10 0 ADAERN O[C@@H]1C=CC[C@H]2C[C@@H]2CC1 307834996 572593971 /nfs/dbraw/zinc/59/39/71/572593971.db2.gz NPGXYDXJOIOYGQ-XHNCKOQMSA-N 0 0 138.210 1.724 10 0 ADAERN C[C@]1(c2ccncc2)CC(=O)CCO1 69853093 572594031 /nfs/dbraw/zinc/59/40/31/572594031.db2.gz JTEXSNJZMFTNJR-LLVKDONJSA-N 0 0 191.230 1.676 10 0 ADAERN CCc1nn(C)c(N(CC)CC)c1N 85020606 572594035 /nfs/dbraw/zinc/59/40/35/572594035.db2.gz XLMPGQGSHMTAFB-UHFFFAOYSA-N 0 0 196.298 1.411 10 0 ADAERN CC[NH2+][C@H](c1cnn[n-]1)C(CC)CC 87601059 572594082 /nfs/dbraw/zinc/59/40/82/572594082.db2.gz QSPIOBLCOCHMMI-JTQLQIEISA-N 0 0 196.298 1.892 10 0 ADAERN CCOC(=O)Cn1ccc(C(C)C)n1 85020537 572594106 /nfs/dbraw/zinc/59/41/06/572594106.db2.gz HCASLPKTSAAKII-UHFFFAOYSA-N 0 0 196.250 1.570 10 0 ADAERN CCC[C@H](C)[C@@H]1C[C@H](O)CCO1 69850701 572594135 /nfs/dbraw/zinc/59/41/35/572594135.db2.gz ZLKHOHQSHRZTCR-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@]1(C)C[C@@H](O)CCO1 69852611 572594144 /nfs/dbraw/zinc/59/41/44/572594144.db2.gz BDZOMQVTWNIZBP-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN COC(=O)[C@@H](O)C1CC(C(C)C)C1 234558948 572594149 /nfs/dbraw/zinc/59/41/49/572594149.db2.gz LWAQVAFUFCVWRW-HACHORDNSA-N 0 0 186.251 1.203 10 0 ADAERN CC(C)C[C@H]1C[C@@H](O)CCO1 69850575 572594158 /nfs/dbraw/zinc/59/41/58/572594158.db2.gz DISGEETYVSJKEH-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@H]1CCO[C@@H](C2CCCC2)C1 69850632 572594162 /nfs/dbraw/zinc/59/41/62/572594162.db2.gz WCDSAIINLWAYNH-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN CCC[C@@H](N)C(=O)c1conc1C 74300855 572594178 /nfs/dbraw/zinc/59/41/78/572594178.db2.gz PKHXUTCWPLPELN-MRVPVSSYSA-N 0 0 182.223 1.293 10 0 ADAERN CCCNc1c(N)c(CCC)nn1C 85021510 572594181 /nfs/dbraw/zinc/59/41/81/572594181.db2.gz MFOIGPWJPUJVFD-UHFFFAOYSA-N 0 0 196.298 1.777 10 0 ADAERN O=c1cc[nH]cc1-c1cccnc1 47213806 572594190 /nfs/dbraw/zinc/59/41/90/572594190.db2.gz ZEXHWSRJLLPPJI-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN CCC[C@@H](N)C(=O)c1ocnc1C 74300863 572594203 /nfs/dbraw/zinc/59/42/03/572594203.db2.gz XNEAYCJCQXJDHC-SSDOTTSWSA-N 0 0 182.223 1.293 10 0 ADAERN O=c1[nH]cc(F)cc1-c1cccnc1 47213243 572594225 /nfs/dbraw/zinc/59/42/25/572594225.db2.gz JWXSFVVFMGBGJC-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O[C@H]1CCO[C@H](c2ccncc2)C1 69850749 572594229 /nfs/dbraw/zinc/59/42/29/572594229.db2.gz ASLJYFNQEPPXRZ-UWVGGRQHSA-N 0 0 179.219 1.294 10 0 ADAERN CCC[C@H](C)CC(=O)c1cn[nH]n1 87598681 572594250 /nfs/dbraw/zinc/59/42/50/572594250.db2.gz KRAJIDVHCZXOQM-ZETCQYMHSA-N 0 0 181.239 1.814 10 0 ADAERN CC(=O)CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403318103 572594253 /nfs/dbraw/zinc/59/42/53/572594253.db2.gz ALNNELHJPUURRW-LPEHRKFASA-N 0 0 195.262 1.270 10 0 ADAERN CCC[C@H](N)C(=O)c1conc1C 74300852 572594271 /nfs/dbraw/zinc/59/42/71/572594271.db2.gz PKHXUTCWPLPELN-QMMMGPOBSA-N 0 0 182.223 1.293 10 0 ADAERN O[C@H]1CCO[C@H](c2cccnc2)C1 69850540 572594284 /nfs/dbraw/zinc/59/42/84/572594284.db2.gz OUQJUBPWVUMSNQ-UWVGGRQHSA-N 0 0 179.219 1.294 10 0 ADAERN CC[C@H](C)[C@@H]1C[C@H](O)CCO1 69850626 572594287 /nfs/dbraw/zinc/59/42/87/572594287.db2.gz DCMXDZUFNIMXIV-YIZRAAEISA-N 0 0 158.241 1.572 10 0 ADAERN CCN[C@@H](c1ccoc1)c1cn[nH]n1 87601007 572594299 /nfs/dbraw/zinc/59/42/99/572594299.db2.gz IEBFLGHMSJKTCD-VIFPVBQESA-N 0 0 192.222 1.097 10 0 ADAERN OC[C@H](c1ccccc1)[C@@H]1CCCO1 114944646 572594304 /nfs/dbraw/zinc/59/43/04/572594304.db2.gz MIOZJNVUDXDTDP-NEPJUHHUSA-N 0 0 192.258 1.942 10 0 ADAERN CCc1ccoc1C[NH2+]C 83267596 572594337 /nfs/dbraw/zinc/59/43/37/572594337.db2.gz WONMHDZTJPOBDB-UHFFFAOYSA-N 0 0 139.198 1.561 10 0 ADAERN O=Cc1ncccc1-c1ccncc1 47214388 572594364 /nfs/dbraw/zinc/59/43/64/572594364.db2.gz BRMFBVRSLSIPON-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN O=Cc1ncccc1-c1cccnc1 47214386 572594375 /nfs/dbraw/zinc/59/43/75/572594375.db2.gz NGENZXLMYBQISL-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN O=C1NCCCN1[C@@H]1CC[C@H]2C[C@H]2C1 403321705 572594382 /nfs/dbraw/zinc/59/43/82/572594382.db2.gz LRLDPTXIYRYOBG-LPEHRKFASA-N 0 0 194.278 1.590 10 0 ADAERN O=C(CCC(F)(F)F)c1cn[nH]n1 87598439 572594386 /nfs/dbraw/zinc/59/43/86/572594386.db2.gz OEYLZJZXQCKAHM-UHFFFAOYSA-N 0 0 193.128 1.330 10 0 ADAERN CCOC[C@@H](NC)c1cscn1 87594901 572594389 /nfs/dbraw/zinc/59/43/89/572594389.db2.gz NSJNVJAFAVKYEM-SSDOTTSWSA-N 0 0 186.280 1.440 10 0 ADAERN C/C=C1\CC(C)(C)NC1=O 307837646 572594489 /nfs/dbraw/zinc/59/44/89/572594489.db2.gz WGUJTKQRUMKLBL-GQCTYLIASA-N 0 0 139.198 1.231 10 0 ADAERN COC(=O)C=CNCCC1CC1 234564362 572594502 /nfs/dbraw/zinc/59/45/02/572594502.db2.gz YXLIKDKJSZEUNS-FNORWQNLSA-N 0 0 169.224 1.063 10 0 ADAERN CC[C@@H](C)[C@H]([NH2+]C)c1cnn[n-]1 87600802 572594532 /nfs/dbraw/zinc/59/45/32/572594532.db2.gz GFZCSMKJBVMTQK-SVRRBLITSA-N 0 0 168.244 1.111 10 0 ADAERN CC(C)(C)CC[C@@H](O)c1cn[nH]n1 87599053 572594559 /nfs/dbraw/zinc/59/45/59/572594559.db2.gz RJVSIHYJGVJSLF-MRVPVSSYSA-N 0 0 183.255 1.664 10 0 ADAERN O[C@@H](CCC(F)(F)F)c1cn[nH]n1 87598883 572594663 /nfs/dbraw/zinc/59/46/63/572594663.db2.gz RXTPCMTYKDEJEC-YFKPBYRVSA-N 0 0 195.144 1.181 10 0 ADAERN CCN(CC)c1c(N)c(C)nn1CC 85022226 572594592 /nfs/dbraw/zinc/59/45/92/572594592.db2.gz FRVPOPJNFAHUDM-UHFFFAOYSA-N 0 0 196.298 1.640 10 0 ADAERN CCCc1nn(C)c(N(C)CC)c1N 85021570 572594624 /nfs/dbraw/zinc/59/46/24/572594624.db2.gz MIGXFDOHDXNKHD-UHFFFAOYSA-N 0 0 196.298 1.411 10 0 ADAERN COC(=O)C=CNCC1(C)CCC1 234561967 572594669 /nfs/dbraw/zinc/59/46/69/572594669.db2.gz ZRRGCCXCFIGSIP-QPJJXVBHSA-N 0 0 183.251 1.453 10 0 ADAERN CCC(=O)OCOC(=O)C(C)(C)C 28127065 572594674 /nfs/dbraw/zinc/59/46/74/572594674.db2.gz FQKPQONAJQGAFB-UHFFFAOYSA-N 0 0 188.223 1.486 10 0 ADAERN CC(C)(C)CCC(=O)c1cn[nH]n1 87598523 572594720 /nfs/dbraw/zinc/59/47/20/572594720.db2.gz WPZYHIYAKRDMPU-UHFFFAOYSA-N 0 0 181.239 1.814 10 0 ADAERN COC(=O)C=CNCC1(C)CC1 234561920 572594742 /nfs/dbraw/zinc/59/47/42/572594742.db2.gz QMSHJDSCHSJTOF-ZZXKWVIFSA-N 0 0 169.224 1.063 10 0 ADAERN CNc1nc(C)cc(-c2ccc[nH]2)n1 234558928 572594747 /nfs/dbraw/zinc/59/47/47/572594747.db2.gz ZZQUGHVUCBCAAR-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN CC[C@H](C)[C@H]([NH2+]C)c1cnn[n-]1 87600803 572594768 /nfs/dbraw/zinc/59/47/68/572594768.db2.gz GFZCSMKJBVMTQK-XPUUQOCRSA-N 0 0 168.244 1.111 10 0 ADAERN CCONCCCCCCCO 308070466 572594789 /nfs/dbraw/zinc/59/47/89/572594789.db2.gz ASLIDEKJQBCUKH-UHFFFAOYSA-N 0 0 175.272 1.470 10 0 ADAERN CC(C)C[C@@H](N)C(=O)c1cnco1 74300840 572594871 /nfs/dbraw/zinc/59/48/71/572594871.db2.gz JUONIYIYAYKTAU-SSDOTTSWSA-N 0 0 182.223 1.231 10 0 ADAERN CCN(C=O)C1CCC1 114941123 572594888 /nfs/dbraw/zinc/59/48/88/572594888.db2.gz XDYKMLICCQVRMS-UHFFFAOYSA-N 0 0 127.187 1.017 10 0 ADAERN CC[C@@H]1[C@H](C(=O)[O-])[C@@H](C)C[N@@H+]1C1CC1 251611575 572594907 /nfs/dbraw/zinc/59/49/07/572594907.db2.gz LAWPVYQLMCEXRC-FXBDTBDDSA-N 0 0 197.278 1.580 10 0 ADAERN CCCCOc1c(N)c(CC)nn1C 85021296 572594965 /nfs/dbraw/zinc/59/49/65/572594965.db2.gz YLRUGIMAJQWVPA-UHFFFAOYSA-N 0 0 197.282 1.744 10 0 ADAERN CC[C@@H](C)[C@@H]([NH2+]C)c1cnn[n-]1 87600804 572594975 /nfs/dbraw/zinc/59/49/75/572594975.db2.gz GFZCSMKJBVMTQK-HTRCEHHLSA-N 0 0 168.244 1.111 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])CC1 251667503 572594984 /nfs/dbraw/zinc/59/49/84/572594984.db2.gz LHSPTHNFEYLSGJ-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN COCc1cnc(C=O)n1C(C)C 74300892 572595138 /nfs/dbraw/zinc/59/51/38/572595138.db2.gz WEWBKMCHWPSZMT-UHFFFAOYSA-N 0 0 182.223 1.423 10 0 ADAERN CCCc1ccn(CC(=O)OCC)n1 85020528 572595148 /nfs/dbraw/zinc/59/51/48/572595148.db2.gz IWTQPAWAKFGLFP-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN C[C@H]1C[C@H](Nc2ccn(C)n2)CCO1 69862799 572595152 /nfs/dbraw/zinc/59/51/52/572595152.db2.gz FOZJPIDIQDLDHH-DTWKUNHWSA-N 0 0 195.266 1.400 10 0 ADAERN C/C=C\[C@H]1CC=CC(=O)N1 307836819 572595233 /nfs/dbraw/zinc/59/52/33/572595233.db2.gz VRRONJNCDHTWNI-ZZZKRKDRSA-N 0 0 137.182 1.007 10 0 ADAERN O=Cc1cc(-c2ccncc2)ccn1 47214405 572595242 /nfs/dbraw/zinc/59/52/42/572595242.db2.gz YLOQYBOBWNGVAF-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN C[C@H]1C[C@H](c2oncc2N)CCO1 74300897 572595259 /nfs/dbraw/zinc/59/52/59/572595259.db2.gz QJINDTNAYXYQNS-NKWVEPMBSA-N 0 0 182.223 1.539 10 0 ADAERN CCOC(=O)c1nocc1C1CC1 115010279 572595275 /nfs/dbraw/zinc/59/52/75/572595275.db2.gz VMBMMICPRDBAJI-UHFFFAOYSA-N 0 0 181.191 1.729 10 0 ADAERN CCCCC[C@@H](O)c1cn[nH]n1 87599112 572595281 /nfs/dbraw/zinc/59/52/81/572595281.db2.gz WHVATRWTEIOQQK-MRVPVSSYSA-N 0 0 169.228 1.418 10 0 ADAERN COC(=O)C=CNC(C1CC1)C1CC1 234558803 572595292 /nfs/dbraw/zinc/59/52/92/572595292.db2.gz PICVCABNXUJMBB-VOTSOKGWSA-N 0 0 195.262 1.451 10 0 ADAERN CCCN(C)c1c(N)c(CC)nn1C 85020781 572595298 /nfs/dbraw/zinc/59/52/98/572595298.db2.gz CIBPAARVOAUKAN-UHFFFAOYSA-N 0 0 196.298 1.411 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1cn[nH]n1 87599140 572595378 /nfs/dbraw/zinc/59/53/78/572595378.db2.gz MQYPFUDRDCUPNT-SVRRBLITSA-N 0 0 169.228 1.274 10 0 ADAERN C=CS(=O)(=O)N(C)C[C@H](C)CC 308070807 572595391 /nfs/dbraw/zinc/59/53/91/572595391.db2.gz BIRXSZXFXMEIKB-MRVPVSSYSA-N 0 0 191.296 1.438 10 0 ADAERN O=C1CCc2c(F)cc(F)c(O)c2C1 714095919 572595496 /nfs/dbraw/zinc/59/54/96/572595496.db2.gz IMECKVCVOBLXDH-UHFFFAOYSA-N 0 0 198.168 1.728 10 0 ADAERN Cc1cc(-c2ccncc2)c[nH]c1=O 47213795 572595448 /nfs/dbraw/zinc/59/54/48/572595448.db2.gz JLYXSJSEZAQOGB-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])CC1 251667499 572595453 /nfs/dbraw/zinc/59/54/53/572595453.db2.gz LHSPTHNFEYLSGJ-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN O=C1CCc2ccc(F)c(O)c2C1 714095823 572595473 /nfs/dbraw/zinc/59/54/73/572595473.db2.gz BLRGFEXFVFQWIE-UHFFFAOYSA-N 0 0 180.178 1.589 10 0 ADAERN COc1cccc2c1OC(=S)OC2 214847859 572595491 /nfs/dbraw/zinc/59/54/91/572595491.db2.gz SVCVGFGGXCVHNT-UHFFFAOYSA-N 0 0 196.227 1.889 10 0 ADAERN CCCCNc1c(N)c(CC)nn1C 85020690 572595498 /nfs/dbraw/zinc/59/54/98/572595498.db2.gz DUOPPNZGUZMVLP-UHFFFAOYSA-N 0 0 196.298 1.777 10 0 ADAERN O=c1[nH]cc(-c2ccncc2)cc1F 47213258 572595519 /nfs/dbraw/zinc/59/55/19/572595519.db2.gz NDVYKXBPJWTWBU-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=C1CCc2cc(O)c(F)c(F)c2C1 714095844 572595550 /nfs/dbraw/zinc/59/55/50/572595550.db2.gz DYICUXYPRODPML-UHFFFAOYSA-N 0 0 198.168 1.728 10 0 ADAERN O=Cc1cc(-c2cccnc2)ccn1 47214402 572595584 /nfs/dbraw/zinc/59/55/84/572595584.db2.gz XWADDDKAYAKHMG-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN Cn1cc(NCCCCCCO)cn1 236060771 572595592 /nfs/dbraw/zinc/59/55/92/572595592.db2.gz HZZOPEYZLYOVCM-UHFFFAOYSA-N 0 0 197.282 1.385 10 0 ADAERN CC(C)CCC(=O)c1cn[nH]n1 87598499 572595599 /nfs/dbraw/zinc/59/55/99/572595599.db2.gz WEDQRXXQIRALTB-UHFFFAOYSA-N 0 0 167.212 1.424 10 0 ADAERN Nc1ccc2c(c1O)CC(=O)CC2 714098733 572595600 /nfs/dbraw/zinc/59/56/00/572595600.db2.gz HEUCTZCQBGXMEZ-UHFFFAOYSA-N 0 0 177.203 1.032 10 0 ADAERN COc1c(C)cc(CO)c(OC)c1C 214848232 572595618 /nfs/dbraw/zinc/59/56/18/572595618.db2.gz BYXQRGOCJZDSGR-UHFFFAOYSA-N 0 0 196.246 1.813 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1C[C@]12CC[N@H+](C)C2 251618323 572595640 /nfs/dbraw/zinc/59/56/40/572595640.db2.gz QEBYEBFXQWLEAG-XKSSXDPKSA-N 0 0 183.251 1.049 10 0 ADAERN CCC[C@@H](N)C(=O)c1cnc(C)o1 74300867 572595699 /nfs/dbraw/zinc/59/56/99/572595699.db2.gz WNURZLBIWIQPSE-SSDOTTSWSA-N 0 0 182.223 1.293 10 0 ADAERN C[C@H](O)/C=C1\CC[C@@H]2C[C@H]12 307838716 572595716 /nfs/dbraw/zinc/59/57/16/572595716.db2.gz SRADGWLQEYSBSY-VAVDHVLKSA-N 0 0 138.210 1.724 10 0 ADAERN CCCCNC(=O)C(C)=C(C)N 114989072 572595721 /nfs/dbraw/zinc/59/57/21/572595721.db2.gz JHKZUCGPHQWWFC-FPLPWBNLSA-N 0 0 170.256 1.155 10 0 ADAERN CCc1nn(C)c(O[C@@H](C)CC)c1N 85021307 572595729 /nfs/dbraw/zinc/59/57/29/572595729.db2.gz BIHYDTFVUXMADQ-ZETCQYMHSA-N 0 0 197.282 1.742 10 0 ADAERN Nc1cc(F)c(F)c2c1CC(=O)CC2 714095917 572595746 /nfs/dbraw/zinc/59/57/46/572595746.db2.gz HWDPFXPHEPZUQV-UHFFFAOYSA-N 0 0 197.184 1.605 10 0 ADAERN Nc1c(F)ccc2c1CC(=O)CC2 714095903 572595749 /nfs/dbraw/zinc/59/57/49/572595749.db2.gz HCQWFWXZVOHZAM-UHFFFAOYSA-N 0 0 179.194 1.466 10 0 ADAERN O=c1[nH]cccc1-c1ccncc1 47212709 572595755 /nfs/dbraw/zinc/59/57/55/572595755.db2.gz QSCYZDOGQNMGOT-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN CN(C)N(C)/C(Cl)=C\Cl 307836450 572595768 /nfs/dbraw/zinc/59/57/68/572595768.db2.gz VKFSZISXQMKGMZ-PLNGDYQASA-N 0 0 169.055 1.671 10 0 ADAERN C[C@H](O)[C@@H](O)C[C@@H](C)c1ccncc1 251607112 572595824 /nfs/dbraw/zinc/59/58/24/572595824.db2.gz PKRHBCCMTZLBKQ-YWVKMMECSA-N 0 0 195.262 1.317 10 0 ADAERN CC[C@@H]1[C@@H](C(=O)[O-])[C@@H](C)C[N@@H+]1C1CC1 251611577 572595866 /nfs/dbraw/zinc/59/58/66/572595866.db2.gz LAWPVYQLMCEXRC-SFGNSQDASA-N 0 0 197.278 1.580 10 0 ADAERN Nc1c(O)ccc2c1CCC(=O)C2 714098728 572595902 /nfs/dbraw/zinc/59/59/02/572595902.db2.gz GYZGZFWZDVXAPT-UHFFFAOYSA-N 0 0 177.203 1.032 10 0 ADAERN CCONC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403322854 572595905 /nfs/dbraw/zinc/59/59/05/572595905.db2.gz BIUAXLYEKVFGBA-IWSPIJDZSA-N 0 0 183.251 1.490 10 0 ADAERN CCCOc1c(N)c(CCC)nn1C 85021771 572595916 /nfs/dbraw/zinc/59/59/16/572595916.db2.gz ZIVVSLMGZXYJED-UHFFFAOYSA-N 0 0 197.282 1.744 10 0 ADAERN CCCOc1c(N)c(C(C)C)nn1C 85022119 572595932 /nfs/dbraw/zinc/59/59/32/572595932.db2.gz ROUZPPZRIORRCU-UHFFFAOYSA-N 0 0 197.282 1.915 10 0 ADAERN COCCC/C(C)=C\CO 307840515 572595944 /nfs/dbraw/zinc/59/59/44/572595944.db2.gz VOGLKWJUWJCLGK-YVMONPNESA-N 0 0 144.214 1.352 10 0 ADAERN COC(=O)C=CNCCCC1CC1 234564899 572595955 /nfs/dbraw/zinc/59/59/55/572595955.db2.gz ZVWQVGRTPROHEF-SOFGYWHQSA-N 0 0 183.251 1.453 10 0 ADAERN Cc1cc(=O)[nH]cc1-c1ccncc1 47213800 572596042 /nfs/dbraw/zinc/59/60/42/572596042.db2.gz ZSFZWBKFUFAZOQ-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN OC[C@H](c1ccccc1)[C@H]1CCCO1 114944649 572596057 /nfs/dbraw/zinc/59/60/57/572596057.db2.gz MIOZJNVUDXDTDP-VXGBXAGGSA-N 0 0 192.258 1.942 10 0 ADAERN Cc1nc(-c2nc3ccccc3[nH]2)n[nH]1 95924613 572596094 /nfs/dbraw/zinc/59/60/94/572596094.db2.gz MABNPZSGHVKMIN-UHFFFAOYSA-N 0 0 199.217 1.656 10 0 ADAERN Cc1nc(-c2cnco2)c(N)s1 74302446 572596098 /nfs/dbraw/zinc/59/60/98/572596098.db2.gz FQJCZMQYPSCQDW-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Nn1cc(-c2ccco2)[nH]c1=S 74302471 572596118 /nfs/dbraw/zinc/59/61/18/572596118.db2.gz CUCMIRWLKKKVSE-UHFFFAOYSA-N 0 0 181.220 1.519 10 0 ADAERN COC(=O)/C=C/c1cc(C=O)cs1 114949295 572596148 /nfs/dbraw/zinc/59/61/48/572596148.db2.gz WQUPFOHQSFCVKG-NSCUHMNNSA-N 0 0 196.227 1.747 10 0 ADAERN O=c1cc[nH]cc1-c1ccncc1 47213809 572596203 /nfs/dbraw/zinc/59/62/03/572596203.db2.gz 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/nfs/dbraw/zinc/59/64/29/572596429.db2.gz VRRONJNCDHTWNI-DQZUBPPWSA-N 0 0 137.182 1.007 10 0 ADAERN CCC[NH2+][C@H](CC1CC1)c1cnn[n-]1 87601162 572596453 /nfs/dbraw/zinc/59/64/53/572596453.db2.gz FSILMSCAVAFIBG-SECBINFHSA-N 0 0 194.282 1.646 10 0 ADAERN COc1cc(N)c2c(c1)CCC(=O)C2 714095954 572596477 /nfs/dbraw/zinc/59/64/77/572596477.db2.gz MUFDJOQRMKKAIU-UHFFFAOYSA-N 0 0 191.230 1.335 10 0 ADAERN COc1ccc2c(c1)COC(=S)O2 214847714 572596484 /nfs/dbraw/zinc/59/64/84/572596484.db2.gz CSJRIOVKJCYNRB-UHFFFAOYSA-N 0 0 196.227 1.889 10 0 ADAERN COC(=O)C=CNCC1(C)CCCC1 234562016 572596498 /nfs/dbraw/zinc/59/64/98/572596498.db2.gz FFUWSTDDDLAGFZ-VMPITWQZSA-N 0 0 197.278 1.843 10 0 ADAERN O[C@@H]1CCC=CCC[C@@H]1F 307838707 572596517 /nfs/dbraw/zinc/59/65/17/572596517.db2.gz SOXGTJUXIWBHGQ-JGVFFNPUSA-N 0 0 144.189 1.816 10 0 ADAERN COC(=O)[C@H](C)CCCC(C)(C)O 114998024 572596532 /nfs/dbraw/zinc/59/65/32/572596532.db2.gz VSKIXAWFAQEPNM-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN COC(=O)C=CNCCC(C)(C)C 234564135 572596544 /nfs/dbraw/zinc/59/65/44/572596544.db2.gz SHWPGLSUWVVYSF-FNORWQNLSA-N 0 0 185.267 1.699 10 0 ADAERN Clc1nc(-c2cnccn2)ns1 47218897 572596568 /nfs/dbraw/zinc/59/65/68/572596568.db2.gz YRNZHGGLFXSEGE-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN C[C@H]1C[C@@H](Nc2ccn(C)n2)CCO1 69862812 572596572 /nfs/dbraw/zinc/59/65/72/572596572.db2.gz FOZJPIDIQDLDHH-IUCAKERBSA-N 0 0 195.266 1.400 10 0 ADAERN CCOC(=O)Cn1ccc(CC)n1 85020531 572596582 /nfs/dbraw/zinc/59/65/82/572596582.db2.gz VGBSSUOEZHNAND-UHFFFAOYSA-N 0 0 182.223 1.009 10 0 ADAERN COC(=O)C=CNCC1(C(C)C)CC1 234561870 572596595 /nfs/dbraw/zinc/59/65/95/572596595.db2.gz HKTYRCXCNKUDGF-QPJJXVBHSA-N 0 0 197.278 1.699 10 0 ADAERN Cc1ncc(-c2oncc2N)s1 74302429 572596622 /nfs/dbraw/zinc/59/66/22/572596622.db2.gz RINXWQMTZIOGNU-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC[C@@H]1C[N@H+](C)CC[C@H]1C(=O)[O-] 251616359 572596640 /nfs/dbraw/zinc/59/66/40/572596640.db2.gz DUNTZAPCVXMFHX-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN 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AWUJKBKDWHWOSR-SECBINFHSA-N 0 0 178.247 1.914 10 0 ADAERN Nc1nsc(Cc2ccco2)n1 74302465 572596821 /nfs/dbraw/zinc/59/68/21/572596821.db2.gz PYXXHLNODQKIOS-UHFFFAOYSA-N 0 0 181.220 1.304 10 0 ADAERN CCc1ccoc1C[NH3+] 83267337 572596890 /nfs/dbraw/zinc/59/68/90/572596890.db2.gz WALQMNBSMGCSBR-UHFFFAOYSA-N 0 0 125.171 1.301 10 0 ADAERN CC[C@@H](C)NC(=S)N[C@@H](C)CF 308070129 572596929 /nfs/dbraw/zinc/59/69/29/572596929.db2.gz BEDRMHFAHQXKKD-RQJHMYQMSA-N 0 0 192.303 1.607 10 0 ADAERN CCOCCOC(=O)CCSC 308070574 572596934 /nfs/dbraw/zinc/59/69/34/572596934.db2.gz ATSIKKSGJRWFJL-UHFFFAOYSA-N 0 0 192.280 1.319 10 0 ADAERN CC[C@H](O)[C@H](C)Cc1nccn1C 689681011 572596950 /nfs/dbraw/zinc/59/69/50/572596950.db2.gz KUXPCEKOMDCVTH-BDAKNGLRSA-N 0 0 182.267 1.370 10 0 ADAERN COC(=O)[C@@H](C)CCCC(C)(C)O 114998022 572596997 /nfs/dbraw/zinc/59/69/97/572596997.db2.gz VSKIXAWFAQEPNM-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN O=Cc1ccncc1-c1ccncc1 47214393 572597006 /nfs/dbraw/zinc/59/70/06/572597006.db2.gz UGGDWVQOUOSJID-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN C=CC(=O)OCCNc1ccccc1 114976767 572597016 /nfs/dbraw/zinc/59/70/16/572597016.db2.gz GABWEXRVBMIOFD-UHFFFAOYSA-N 0 0 191.230 1.828 10 0 ADAERN OC[C@@H](c1ccccc1)[C@H]1CCCO1 114944651 572597098 /nfs/dbraw/zinc/59/70/98/572597098.db2.gz MIOZJNVUDXDTDP-NWDGAFQWSA-N 0 0 192.258 1.942 10 0 ADAERN C[C@H](O)[C@H](O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403320390 572597162 /nfs/dbraw/zinc/59/71/62/572597162.db2.gz JXDRNBXSHCUQMA-UNQZSWDGSA-N 0 0 184.279 1.554 10 0 ADAERN C[C@H]1C[C@H](C)CCN1c1c[nH]nc1N 251617870 572597166 /nfs/dbraw/zinc/59/71/66/572597166.db2.gz HKFSHSJWZTVTNR-SFYZADRCSA-N 0 0 194.282 1.617 10 0 ADAERN CCC[NH2+][C@@H](c1cnn[n-]1)[C@@H](C)CC 87601235 572597192 /nfs/dbraw/zinc/59/71/92/572597192.db2.gz CRCGIIUSKLSJRV-WCBMZHEXSA-N 0 0 196.298 1.892 10 0 ADAERN COC(=O)C=CNCC(C)(C)C(C)C 234561155 572597195 /nfs/dbraw/zinc/59/71/95/572597195.db2.gz QMLUZPOQADMBPK-VOTSOKGWSA-N 0 0 199.294 1.945 10 0 ADAERN CC[C@@H](O)[C@H](C)Cc1nccn1C 689681029 572597215 /nfs/dbraw/zinc/59/72/15/572597215.db2.gz KUXPCEKOMDCVTH-RKDXNWHRSA-N 0 0 182.267 1.370 10 0 ADAERN CCCc1nn(C)c(OC(C)C)c1N 85021756 572597251 /nfs/dbraw/zinc/59/72/51/572597251.db2.gz HQGOUKKMMRYPBI-UHFFFAOYSA-N 0 0 197.282 1.742 10 0 ADAERN Cc1nc(CN)oc1C(F)(F)F 74304297 572605389 /nfs/dbraw/zinc/60/53/89/572605389.db2.gz UUIBOYZLYJBDIC-UHFFFAOYSA-N 0 0 180.129 1.461 10 0 ADAERN Cc1oncc1-c1ncsc1N 74302444 572597335 /nfs/dbraw/zinc/59/73/35/572597335.db2.gz SLQZGHLLPAYZHQ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC[NH2+][C@@H](c1cnn[n-]1)[C@@H](C)CC 87601066 572597377 /nfs/dbraw/zinc/59/73/77/572597377.db2.gz BFQRQKKTVBKFOZ-IONNQARKSA-N 0 0 182.271 1.501 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1nccn1C 689681027 572597379 /nfs/dbraw/zinc/59/73/79/572597379.db2.gz KUXPCEKOMDCVTH-IUCAKERBSA-N 0 0 182.267 1.370 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1nccn1C 689681021 572597394 /nfs/dbraw/zinc/59/73/94/572597394.db2.gz KUXPCEKOMDCVTH-DTWKUNHWSA-N 0 0 182.267 1.370 10 0 ADAERN CCc1nn(C)c(O[C@H](C)CC)c1N 85021309 572597401 /nfs/dbraw/zinc/59/74/01/572597401.db2.gz BIHYDTFVUXMADQ-SSDOTTSWSA-N 0 0 197.282 1.742 10 0 ADAERN CC[C@H](C)Oc1c(N)c(C)nn1CC 85022965 572599248 /nfs/dbraw/zinc/59/92/48/572599248.db2.gz GRILMVBRCOTEPY-ZETCQYMHSA-N 0 0 197.282 1.971 10 0 ADAERN CCCCCN(C)C(=O)c1cn[nH]n1 87602146 572597430 /nfs/dbraw/zinc/59/74/30/572597430.db2.gz JTDMLOPFSVBESP-UHFFFAOYSA-N 0 0 196.254 1.067 10 0 ADAERN CCC[NH2+][C@@H](CC1CC1)c1cnn[n-]1 87601161 572597445 /nfs/dbraw/zinc/59/74/45/572597445.db2.gz FSILMSCAVAFIBG-VIFPVBQESA-N 0 0 194.282 1.646 10 0 ADAERN CC[C@H](C)NC(=S)N[C@@H](C)CF 308070126 572597495 /nfs/dbraw/zinc/59/74/95/572597495.db2.gz BEDRMHFAHQXKKD-BQBZGAKWSA-N 0 0 192.303 1.607 10 0 ADAERN CCN[C@H](c1cn[nH]n1)c1ccco1 87601067 572597525 /nfs/dbraw/zinc/59/75/25/572597525.db2.gz MGXINVMNYZWYPK-SECBINFHSA-N 0 0 192.222 1.097 10 0 ADAERN Cc1coc(-c2cc(N)sn2)n1 74302455 572597532 /nfs/dbraw/zinc/59/75/32/572597532.db2.gz UDMUEOMDAQXZDR-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC(C)CNC(=O)/C=C/CCCO 308069992 572597541 /nfs/dbraw/zinc/59/75/41/572597541.db2.gz HXSRDHNXEUMGOQ-GQCTYLIASA-N 0 0 185.267 1.087 10 0 ADAERN Cc1csc(-c2oncc2N)n1 74302438 572597549 /nfs/dbraw/zinc/59/75/49/572597549.db2.gz CSIDCVXVANXMLB-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN COC(=O)/C=C/NCCC(F)(F)F 234564197 572597586 /nfs/dbraw/zinc/59/75/86/572597586.db2.gz IYJJSJPOAXEJGL-DUXPYHPUSA-N 0 0 197.156 1.215 10 0 ADAERN COC(=O)C=CNCCCC(C)C 234564778 572597603 /nfs/dbraw/zinc/59/76/03/572597603.db2.gz XZIFCJDVYUCIGC-SOFGYWHQSA-N 0 0 185.267 1.699 10 0 ADAERN C[C@H](O)[C@H](O)C[C@@H](C)c1ccncc1 251607109 572597612 /nfs/dbraw/zinc/59/76/12/572597612.db2.gz PKRHBCCMTZLBKQ-WCABBAIRSA-N 0 0 195.262 1.317 10 0 ADAERN Cc1ncsc1-c1oncc1N 74302435 572597622 /nfs/dbraw/zinc/59/76/22/572597622.db2.gz WCNULXNBXJPZMZ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCC[NH2+][C@H](c1cnn[n-]1)[C@@H](C)CC 87601236 572597626 /nfs/dbraw/zinc/59/76/26/572597626.db2.gz CRCGIIUSKLSJRV-WPRPVWTQSA-N 0 0 196.298 1.892 10 0 ADAERN O=Cc1cnoc1C1CCOCC1 74302823 572597665 /nfs/dbraw/zinc/59/76/65/572597665.db2.gz KEDIIRSSYOYBMZ-UHFFFAOYSA-N 0 0 181.191 1.381 10 0 ADAERN CC(=O)CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 403318104 572597666 /nfs/dbraw/zinc/59/76/66/572597666.db2.gz ALNNELHJPUURRW-OPRDCNLKSA-N 0 0 195.262 1.270 10 0 ADAERN C[C@@H]1C[C@H](Nc2ccn(C)n2)CCO1 69862793 572597681 /nfs/dbraw/zinc/59/76/81/572597681.db2.gz FOZJPIDIQDLDHH-RKDXNWHRSA-N 0 0 195.266 1.400 10 0 ADAERN CCCc1nn(C)c(OCC)c1N 85021745 572597703 /nfs/dbraw/zinc/59/77/03/572597703.db2.gz HOFUMZCNJIIUDB-UHFFFAOYSA-N 0 0 183.255 1.354 10 0 ADAERN NCc1ncc(-c2cscn2)o1 74302408 572597713 /nfs/dbraw/zinc/59/77/13/572597713.db2.gz QPNVLBACRJFYGI-UHFFFAOYSA-N 0 0 181.220 1.257 10 0 ADAERN CCC[NH2+][C@H](c1cnn[n-]1)C(C)(C)C 87601148 572597721 /nfs/dbraw/zinc/59/77/21/572597721.db2.gz IXPKGDATLFHLEJ-SECBINFHSA-N 0 0 196.298 1.892 10 0 ADAERN Cc1cc(-c2sncc2N)on1 74302425 572597831 /nfs/dbraw/zinc/59/78/31/572597831.db2.gz CLZPEUWOJDGQDO-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN OC[C@@H](c1ccccc1)[C@@H]1CCCO1 114944648 572597844 /nfs/dbraw/zinc/59/78/44/572597844.db2.gz MIOZJNVUDXDTDP-RYUDHWBXSA-N 0 0 192.258 1.942 10 0 ADAERN Cc1ncoc1-c1cc(N)sn1 74302463 572599267 /nfs/dbraw/zinc/59/92/67/572599267.db2.gz NMZQWCVDPDFBTM-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC(=O)C[C@@H]1CCSC1 83267932 572597864 /nfs/dbraw/zinc/59/78/64/572597864.db2.gz UVGMKTTUKHZODY-ZETCQYMHSA-N 0 0 144.239 1.719 10 0 ADAERN Cc1ncc(-c2cc(N)sn2)o1 74302460 572597907 /nfs/dbraw/zinc/59/79/07/572597907.db2.gz APRWLWKPYGCJGE-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCc1nn(C)c(OCC2CC2)c1N 85021267 572597913 /nfs/dbraw/zinc/59/79/13/572597913.db2.gz HWOBHDKSEWLYKM-UHFFFAOYSA-N 0 0 195.266 1.354 10 0 ADAERN CSCCOC(=O)c1ccon1 308070591 572597915 /nfs/dbraw/zinc/59/79/15/572597915.db2.gz AUVOOPOGVUYLRO-UHFFFAOYSA-N 0 0 187.220 1.194 10 0 ADAERN COC(=O)CC/C=C/CC[C@@H](C)O 238353909 572597924 /nfs/dbraw/zinc/59/79/24/572597924.db2.gz QBLAFFSYMXVKNG-CDAZIORVSA-N 0 0 186.251 1.657 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1C[C@]12CC[N@H+](C)C2 251618321 572597943 /nfs/dbraw/zinc/59/79/43/572597943.db2.gz QEBYEBFXQWLEAG-NRPADANISA-N 0 0 183.251 1.049 10 0 ADAERN OP(O)OC/C(Cl)=C\Cl 307840622 572598006 /nfs/dbraw/zinc/59/80/06/572598006.db2.gz BKZRKIFKTSVHNS-HNQUOIGGSA-N 0 0 190.950 1.534 10 0 ADAERN Cc1cccc(-n2cnc(N)c2)c1 72193528 572598015 /nfs/dbraw/zinc/59/80/15/572598015.db2.gz RQAORCYZKAJOMN-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN C[C@H]1CCN(c2c[nH]nc2N)[C@@H](C)C1 251617875 572598028 /nfs/dbraw/zinc/59/80/28/572598028.db2.gz HKFSHSJWZTVTNR-YUMQZZPRSA-N 0 0 194.282 1.617 10 0 ADAERN COC(=O)C=CNCCC1CCC1 234564462 572598068 /nfs/dbraw/zinc/59/80/68/572598068.db2.gz WKWYNNQHVXRGHZ-SOFGYWHQSA-N 0 0 183.251 1.453 10 0 ADAERN Cc1csnc1-c1oncc1N 74302432 572598071 /nfs/dbraw/zinc/59/80/71/572598071.db2.gz BBRACVPLCHBDST-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1cc(-c2cc(N)sn2)no1 74302457 572600263 /nfs/dbraw/zinc/60/02/63/572600263.db2.gz GCOIXOXLGPHPBT-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN COc1c(C)cc(C)c(OC)c1CO 214848304 572598124 /nfs/dbraw/zinc/59/81/24/572598124.db2.gz LCPPANXUICBFID-UHFFFAOYSA-N 0 0 196.246 1.813 10 0 ADAERN Nc1nc(Cc2ccco2)ns1 74302466 572598131 /nfs/dbraw/zinc/59/81/31/572598131.db2.gz FWLXNUZQQVAMQU-UHFFFAOYSA-N 0 0 181.220 1.304 10 0 ADAERN Cc1nc(-c2ccon2)c(N)s1 74302448 572598138 /nfs/dbraw/zinc/59/81/38/572598138.db2.gz OCTZPSDFAIZATI-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCC1[C@@H]2C(/C=C\CO)[C@H]12 307841959 572598162 /nfs/dbraw/zinc/59/81/62/572598162.db2.gz XGQFBXAQQGHFFP-PUOYAJDISA-N 0 0 138.210 1.437 10 0 ADAERN CC[NH2+][C@H](c1cnn[n-]1)C1CCCC1 87601070 572598163 /nfs/dbraw/zinc/59/81/63/572598163.db2.gz ZOTVLNLLSLSBQC-JTQLQIEISA-N 0 0 194.282 1.646 10 0 ADAERN NCc1nc2cc(N)c(F)cc2o1 74302829 572598180 /nfs/dbraw/zinc/59/81/80/572598180.db2.gz YGUOXEWGDGGAQL-UHFFFAOYSA-N 0 0 181.170 1.008 10 0 ADAERN CC(C)[C@@H]1Nc2occc2NC1=O 74303879 572601057 /nfs/dbraw/zinc/60/10/57/572601057.db2.gz WLEJJWWFIPDIAU-ZETCQYMHSA-N 0 0 180.207 1.668 10 0 ADAERN COC(=O)CCc1[nH]c(C)cc1C 238354010 572598289 /nfs/dbraw/zinc/59/82/89/572598289.db2.gz MDZMBKDGYXKIBH-UHFFFAOYSA-N 0 0 181.235 1.737 10 0 ADAERN Cc1ccc(-n2cnc(N)c2)cc1 72193543 572598293 /nfs/dbraw/zinc/59/82/93/572598293.db2.gz HELOJSHNWXJRAS-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN CCC[NH2+][C@@H](c1cnn[n-]1)[C@H](C)CC 87601237 572598380 /nfs/dbraw/zinc/59/83/80/572598380.db2.gz CRCGIIUSKLSJRV-PSASIEDQSA-N 0 0 196.298 1.892 10 0 ADAERN COc1ccc(O)c(C(OC)OC)c1 238353994 572598456 /nfs/dbraw/zinc/59/84/56/572598456.db2.gz YVSPQEBTUPRZFT-UHFFFAOYSA-N 0 0 198.218 1.692 10 0 ADAERN Oc1ccccc1[C@H]1CCOC1 72193190 572598509 /nfs/dbraw/zinc/59/85/09/572598509.db2.gz IEKUOTQGKJTVGU-QMMMGPOBSA-N 0 0 164.204 1.896 10 0 ADAERN CC[NH2+][C@@H](c1cnn[n-]1)C1CCCC1 87601069 572598511 /nfs/dbraw/zinc/59/85/11/572598511.db2.gz ZOTVLNLLSLSBQC-SNVBAGLBSA-N 0 0 194.282 1.646 10 0 ADAERN CCCOC[C@@H](O)CCCCF 308069889 572598519 /nfs/dbraw/zinc/59/85/19/572598519.db2.gz AWUJKBKDWHWOSR-VIFPVBQESA-N 0 0 178.247 1.914 10 0 ADAERN C=CS(=O)(=O)N(C)C[C@@H](C)CC 308070811 572598531 /nfs/dbraw/zinc/59/85/31/572598531.db2.gz BIRXSZXFXMEIKB-QMMMGPOBSA-N 0 0 191.296 1.438 10 0 ADAERN CC[C@H]1C[N@H+](C)CC[C@H]1C(=O)[O-] 251616361 572598546 /nfs/dbraw/zinc/59/85/46/572598546.db2.gz DUNTZAPCVXMFHX-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1ccccc1-n1cnc(N)c1 72193537 572598561 /nfs/dbraw/zinc/59/85/61/572598561.db2.gz QWVRRPXMEGAGBV-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN Oc1ccccc1[C@@H]1CCOC1 72193189 572598569 /nfs/dbraw/zinc/59/85/69/572598569.db2.gz IEKUOTQGKJTVGU-MRVPVSSYSA-N 0 0 164.204 1.896 10 0 ADAERN Cc1cc(F)ccc1-n1cnc(N)c1 72193566 572598601 /nfs/dbraw/zinc/59/86/01/572598601.db2.gz GJMRZGRWZCWCOB-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1nc2c(s1)CC[C@H](C(N)=O)C2 196519456 572598606 /nfs/dbraw/zinc/59/86/06/572598606.db2.gz ILLJCBXASLRYKD-LURJTMIESA-N 0 0 196.275 1.042 10 0 ADAERN Cc1cnc(-c2cc(N)sn2)o1 74302461 572598641 /nfs/dbraw/zinc/59/86/41/572598641.db2.gz PPPYSQIWISPUTR-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1nocc1-c1ncsc1N 74302441 572598656 /nfs/dbraw/zinc/59/86/56/572598656.db2.gz RFBKSJQKVVVDCJ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC1=C[C@H]2CC(=O)C[C@@H]1O2 196501204 572598675 /nfs/dbraw/zinc/59/86/75/572598675.db2.gz NDRIVIMKZFSCTB-YUMQZZPRSA-N 0 0 138.166 1.063 10 0 ADAERN CCC1[C@@H]2C(/C=C/CO)[C@H]12 307841957 572598678 /nfs/dbraw/zinc/59/86/78/572598678.db2.gz XGQFBXAQQGHFFP-MWJIOWTOSA-N 0 0 138.210 1.437 10 0 ADAERN C=C=C(C)C[C@@H](C)O 196519044 572598729 /nfs/dbraw/zinc/59/87/29/572598729.db2.gz HANHXRULGBXQPN-SSDOTTSWSA-N 0 0 112.172 1.489 10 0 ADAERN CCO[P@](=O)(CC)OCCO 115045953 572598747 /nfs/dbraw/zinc/59/87/47/572598747.db2.gz QHXFUCDLZUYXED-LLVKDONJSA-N 0 0 182.156 1.245 10 0 ADAERN CCn1nc(C)c(N)c1OCC1CC1 85022939 572598763 /nfs/dbraw/zinc/59/87/63/572598763.db2.gz CPFUUEWHKONYBZ-UHFFFAOYSA-N 0 0 195.266 1.582 10 0 ADAERN COC[C@H](C)Oc1cc(C)ccc1N 69901327 572603412 /nfs/dbraw/zinc/60/34/12/572603412.db2.gz LRSPXIVJRJOBNI-VIFPVBQESA-N 0 0 195.262 1.991 10 0 ADAERN Cc1cccc2[nH]c(-c3cn[nH]n3)nc12 87601751 572598815 /nfs/dbraw/zinc/59/88/15/572598815.db2.gz BGHBNBUBPXHOKA-UHFFFAOYSA-N 0 0 199.217 1.656 10 0 ADAERN CCc1nc(CN)oc1CC(C)C 74300368 572598874 /nfs/dbraw/zinc/59/88/74/572598874.db2.gz SUQZDEZMRMNWSO-UHFFFAOYSA-N 0 0 182.267 1.894 10 0 ADAERN CC(C)CCc1cc[nH]c(=O)c1N 74303473 572604445 /nfs/dbraw/zinc/60/44/45/572604445.db2.gz VJZDHKUIFFNFSW-UHFFFAOYSA-N 0 0 180.251 1.546 10 0 ADAERN CCCC[C@H](C)NC(=O)c1cn[nH]n1 87602184 572598923 /nfs/dbraw/zinc/59/89/23/572598923.db2.gz NZTIEWWBWSTBAZ-ZETCQYMHSA-N 0 0 196.254 1.113 10 0 ADAERN Nc1nc2[nH]cccc2c2ncnc12 47301003 572598943 /nfs/dbraw/zinc/59/89/43/572598943.db2.gz KGEGVJJFFQXJTG-UHFFFAOYSA-N 0 0 185.190 1.088 10 0 ADAERN CCCCC[C@H]1NC(=O)CS1 196519516 572599049 /nfs/dbraw/zinc/59/90/49/572599049.db2.gz MQVSAMVREZMQBK-QMMMGPOBSA-N 0 0 173.281 1.756 10 0 ADAERN Cc1sncc1-c1oncc1N 74302433 572599050 /nfs/dbraw/zinc/59/90/50/572599050.db2.gz HIILGHSJJHFVBT-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCCOc1c(N)c(C)nn1CC 85022958 572599053 /nfs/dbraw/zinc/59/90/53/572599053.db2.gz CMSZISHAUUFLOO-UHFFFAOYSA-N 0 0 183.255 1.582 10 0 ADAERN Cc1csc(-c2nonc2N)c1 74302473 572599088 /nfs/dbraw/zinc/59/90/88/572599088.db2.gz VQMWBZOMLMXZCN-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1nc(-c2oncc2N)cs1 74302450 572599092 /nfs/dbraw/zinc/59/90/92/572599092.db2.gz PYXFCBRDJKQEDR-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCC[NH2+][C@H](CC)c1cnn[n-]1 87601219 572599102 /nfs/dbraw/zinc/59/91/02/572599102.db2.gz JUFOKINSCHKKHD-SSDOTTSWSA-N 0 0 168.244 1.255 10 0 ADAERN CCC[NH2+][C@H](c1cnn[n-]1)[C@H](C)CC 87601238 572599167 /nfs/dbraw/zinc/59/91/67/572599167.db2.gz CRCGIIUSKLSJRV-SCZZXKLOSA-N 0 0 196.298 1.892 10 0 ADAERN CCC[NH2+][C@H](CCC)c1cnn[n-]1 87601170 572599183 /nfs/dbraw/zinc/59/91/83/572599183.db2.gz UGSHNNRGAXMENN-MRVPVSSYSA-N 0 0 182.271 1.646 10 0 ADAERN CCCCOc1c(N)c(C)nn1CC 85022960 572599225 /nfs/dbraw/zinc/59/92/25/572599225.db2.gz CDOGYCNNIKFKPC-UHFFFAOYSA-N 0 0 197.282 1.973 10 0 ADAERN CC(C)C[C@H]1NC(=O)CS1 196519530 572599229 /nfs/dbraw/zinc/59/92/29/572599229.db2.gz FCPIKVJIINDNBX-ZETCQYMHSA-N 0 0 159.254 1.222 10 0 ADAERN COC(=O)Oc1ccccc1OC 114966599 572599232 /nfs/dbraw/zinc/59/92/32/572599232.db2.gz BKYXETXNOBLCLF-UHFFFAOYSA-N 0 0 182.175 1.840 10 0 ADAERN C=C=C(C)CCO 196519028 572599276 /nfs/dbraw/zinc/59/92/76/572599276.db2.gz XLMRLFMXLDXWTI-UHFFFAOYSA-N 0 0 98.145 1.100 10 0 ADAERN Cc1ccc2[nH]c(-c3cn[nH]n3)nc2c1 87601743 572599270 /nfs/dbraw/zinc/59/92/70/572599270.db2.gz DWIFSDZQCFLKBS-UHFFFAOYSA-N 0 0 199.217 1.656 10 0 ADAERN CCCCC[C@@H]1NC(=O)CS1 196519506 572599358 /nfs/dbraw/zinc/59/93/58/572599358.db2.gz MQVSAMVREZMQBK-MRVPVSSYSA-N 0 0 173.281 1.756 10 0 ADAERN CCC[NH2+][C@H](c1cnn[n-]1)C1CC1 87601164 572599360 /nfs/dbraw/zinc/59/93/60/572599360.db2.gz DBSAPIBCNMTZQZ-VIFPVBQESA-N 0 0 180.255 1.255 10 0 ADAERN Cn1ccnc1-c1cnc2[nH]ccc2c1 115125392 572601832 /nfs/dbraw/zinc/60/18/32/572601832.db2.gz KSLGJSYSIPJVCH-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN C[C@@H]1C[C@](O)(c2ccco2)CCO1 69895547 572599451 /nfs/dbraw/zinc/59/94/51/572599451.db2.gz HMEMACIHVRSMIJ-SCZZXKLOSA-N 0 0 182.219 1.666 10 0 ADAERN COCC(=O)OCCC1(C)CC1 308071105 572599491 /nfs/dbraw/zinc/59/94/91/572599491.db2.gz BMDMIIANTIRKGG-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN C[C@H]1C[C@@](O)(c2ccco2)CCO1 69895554 572599500 /nfs/dbraw/zinc/59/95/00/572599500.db2.gz HMEMACIHVRSMIJ-WCBMZHEXSA-N 0 0 182.219 1.666 10 0 ADAERN CCCCC(=O)[C@@]1(C)CO1 196517626 572599502 /nfs/dbraw/zinc/59/95/02/572599502.db2.gz XXTVTHFZUKMHQD-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN COc1cc(Cl)cc2c1C(=O)CO2 714104587 572599506 /nfs/dbraw/zinc/59/95/06/572599506.db2.gz UOKLGKCNTUSMEY-UHFFFAOYSA-N 0 0 198.605 1.924 10 0 ADAERN Cc1occ(C[NH+]2CCCC2)c1N 74303442 572601840 /nfs/dbraw/zinc/60/18/40/572601840.db2.gz MNWGLCWYPVQFFH-UHFFFAOYSA-N 0 0 180.251 1.766 10 0 ADAERN Cc1cc(-c2ncsc2N)no1 74302443 572599555 /nfs/dbraw/zinc/59/95/55/572599555.db2.gz RNXQXTJCFAERGH-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCC[NH2+][C@@H](CC)c1cnn[n-]1 87601218 572599562 /nfs/dbraw/zinc/59/95/62/572599562.db2.gz JUFOKINSCHKKHD-ZETCQYMHSA-N 0 0 168.244 1.255 10 0 ADAERN O=C(/C=C\C1CCC1)OCCF 308071197 572599597 /nfs/dbraw/zinc/59/95/97/572599597.db2.gz BOQXCENNFTZDQK-PLNGDYQASA-N 0 0 172.199 1.855 10 0 ADAERN Cn1cc(CC[C@H](O)C(C)(C)C)nn1 236070595 572599609 /nfs/dbraw/zinc/59/96/09/572599609.db2.gz BRQXLWPAWUKSET-VIFPVBQESA-N 0 0 197.282 1.155 10 0 ADAERN C/C=C1\[C@@H]([C@H](C)O)[C@H]1CC 307842487 572599650 /nfs/dbraw/zinc/59/96/50/572599650.db2.gz YAFWABVAXBWCPS-ZHKOVBISSA-N 0 0 140.226 1.970 10 0 ADAERN O=C(OCc1ccc[nH]1)C1CC1 308071273 572599655 /nfs/dbraw/zinc/59/96/55/572599655.db2.gz BWUFXBRAEBXGIZ-UHFFFAOYSA-N 0 0 165.192 1.468 10 0 ADAERN CC(C)C[C@]1(O)CCO[C@H](C)C1 69895722 572599663 /nfs/dbraw/zinc/59/96/63/572599663.db2.gz YJVRMLMTKAUZLV-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN CCCC[C@@H](C)NC(=O)c1cn[nH]n1 87602183 572599664 /nfs/dbraw/zinc/59/96/64/572599664.db2.gz NZTIEWWBWSTBAZ-SSDOTTSWSA-N 0 0 196.254 1.113 10 0 ADAERN Nc1cnoc1Cc1cscn1 74302449 572599703 /nfs/dbraw/zinc/59/97/03/572599703.db2.gz BBBYVNGRLMNEHP-UHFFFAOYSA-N 0 0 181.220 1.304 10 0 ADAERN CCn1nc(C)c(N)c1OCC(C)C 85022924 572599714 /nfs/dbraw/zinc/59/97/14/572599714.db2.gz HEEXTLICASSBJE-UHFFFAOYSA-N 0 0 197.282 1.828 10 0 ADAERN CCO[P@@](=O)(CC)OCCO 115045950 572599743 /nfs/dbraw/zinc/59/97/43/572599743.db2.gz QHXFUCDLZUYXED-NSHDSACASA-N 0 0 182.156 1.245 10 0 ADAERN CCC[C@H](CNN)CC(C)C 308071550 572599745 /nfs/dbraw/zinc/59/97/45/572599745.db2.gz QSTTXYDOYAGYHI-VIFPVBQESA-N 0 0 158.289 1.912 10 0 ADAERN CCC[NH2+][C@@H](c1cnn[n-]1)C1CC1 87601163 572599810 /nfs/dbraw/zinc/59/98/10/572599810.db2.gz DBSAPIBCNMTZQZ-SECBINFHSA-N 0 0 180.255 1.255 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccco2)CCO1 69895553 572599822 /nfs/dbraw/zinc/59/98/22/572599822.db2.gz HMEMACIHVRSMIJ-PSASIEDQSA-N 0 0 182.219 1.666 10 0 ADAERN Cn1cc(CC[C@@H](O)C(C)(C)C)nn1 236070302 572599886 /nfs/dbraw/zinc/59/98/86/572599886.db2.gz BRQXLWPAWUKSET-SECBINFHSA-N 0 0 197.282 1.155 10 0 ADAERN Cc1cc(N)n([C@@H]2CCO[C@H](C)C2)n1 69891779 572600016 /nfs/dbraw/zinc/60/00/16/572600016.db2.gz ZMYNQBIYNIOUBK-RKDXNWHRSA-N 0 0 195.266 1.514 10 0 ADAERN CC(C)[C@@H](Cc1nncn1C)[C@H](C)O 689682325 572600024 /nfs/dbraw/zinc/60/00/24/572600024.db2.gz QJVMHRYQUNHEDK-DTWKUNHWSA-N 0 0 197.282 1.011 10 0 ADAERN CCN[C@@H](c1cn[nH]n1)c1ccco1 87601068 572600034 /nfs/dbraw/zinc/60/00/34/572600034.db2.gz MGXINVMNYZWYPK-VIFPVBQESA-N 0 0 192.222 1.097 10 0 ADAERN O=C1c2ccccc2CN1C1CC1 196518992 572600048 /nfs/dbraw/zinc/60/00/48/572600048.db2.gz DGNABTUANSUMFD-UHFFFAOYSA-N 0 0 173.215 1.805 10 0 ADAERN CC[NH2+][C@@H](c1cnn[n-]1)[C@H](C)CC 87601065 572600074 /nfs/dbraw/zinc/60/00/74/572600074.db2.gz BFQRQKKTVBKFOZ-VXNVDRBHSA-N 0 0 182.271 1.501 10 0 ADAERN CCC[NH2+][C@H](c1cnn[n-]1)C(C)C 87601146 572600103 /nfs/dbraw/zinc/60/01/03/572600103.db2.gz HITIXZWNAXDRBA-VIFPVBQESA-N 0 0 182.271 1.501 10 0 ADAERN O=Cc1cc(C2CCOCC2)on1 74302821 572600115 /nfs/dbraw/zinc/60/01/15/572600115.db2.gz CMIKOKTUYKRHOZ-UHFFFAOYSA-N 0 0 181.191 1.381 10 0 ADAERN Cc1cc(N)n([C@H]2CCO[C@@H](C)C2)n1 69891782 572600116 /nfs/dbraw/zinc/60/01/16/572600116.db2.gz ZMYNQBIYNIOUBK-IUCAKERBSA-N 0 0 195.266 1.514 10 0 ADAERN Cc1nocc1-c1cc(N)sn1 74302458 572600127 /nfs/dbraw/zinc/60/01/27/572600127.db2.gz XZSKLHULPZXEPT-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC(=O)c1nc2ncccc2nc1C 196514143 572600153 /nfs/dbraw/zinc/60/01/53/572600153.db2.gz OIHQLNHAOMXWOG-UHFFFAOYSA-N 0 0 187.202 1.536 10 0 ADAERN CCC[NH2+][C@@H](c1cnn[n-]1)C(C)C 87601145 572600158 /nfs/dbraw/zinc/60/01/58/572600158.db2.gz HITIXZWNAXDRBA-SECBINFHSA-N 0 0 182.271 1.501 10 0 ADAERN CCOc1ccc(C=O)c(CO)c1 308071645 572600208 /nfs/dbraw/zinc/60/02/08/572600208.db2.gz KGRKMYVOHXZGRO-UHFFFAOYSA-N 0 0 180.203 1.390 10 0 ADAERN Cn1cc(CC(=O)CC(C)(C)C)nn1 236067389 572600238 /nfs/dbraw/zinc/60/02/38/572600238.db2.gz OPRQIRMPIQGAIA-UHFFFAOYSA-N 0 0 195.266 1.363 10 0 ADAERN CC(C)C[C@@]1(O)CCO[C@@H](C)C1 69895727 572600266 /nfs/dbraw/zinc/60/02/66/572600266.db2.gz YJVRMLMTKAUZLV-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1noc(-c2cncs2)c1N 74302405 572600267 /nfs/dbraw/zinc/60/02/67/572600267.db2.gz XTJZUZWLQWBURY-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1scnc1-c1oncc1N 74302451 572600284 /nfs/dbraw/zinc/60/02/84/572600284.db2.gz KNTRLOZFJWLOBK-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCC[NH2+][C@@H](CCC)c1cnn[n-]1 87601169 572600291 /nfs/dbraw/zinc/60/02/91/572600291.db2.gz UGSHNNRGAXMENN-QMMMGPOBSA-N 0 0 182.271 1.646 10 0 ADAERN C/C=C(/C(=O)OC)[C@@H](O)c1ccco1 238355260 572600319 /nfs/dbraw/zinc/60/03/19/572600319.db2.gz JEMGGCGYODBSRU-XKEGTWDPSA-N 0 0 196.202 1.432 10 0 ADAERN 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/nfs/dbraw/zinc/60/09/46/572600946.db2.gz QJVMHRYQUNHEDK-RKDXNWHRSA-N 0 0 197.282 1.011 10 0 ADAERN N[C@@H](CC(F)(F)F)c1ncco1 74304307 572605160 /nfs/dbraw/zinc/60/51/60/572605160.db2.gz NWXRKNALEACPSK-BYPYZUCNSA-N 0 0 180.129 1.627 10 0 ADAERN Cc1nc(-c2cc[nH]n2)c(N)s1 74303563 572601043 /nfs/dbraw/zinc/60/10/43/572601043.db2.gz SOGABDGYELXKPI-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN O=C(/C=C/C1CCC1)OCCF 308071200 572601087 /nfs/dbraw/zinc/60/10/87/572601087.db2.gz BOQXCENNFTZDQK-SNAWJCMRSA-N 0 0 172.199 1.855 10 0 ADAERN Cc1cc(-c2sncc2N)n[nH]1 74303560 572601092 /nfs/dbraw/zinc/60/10/92/572601092.db2.gz HBIIPWKHNBRORA-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Cc1ccnn1-c1cnc(N)s1 74303606 572601105 /nfs/dbraw/zinc/60/11/05/572601105.db2.gz FZURKHWUXZYTKL-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN C[C@H]1CC[N@@H+](C(C)(C)C(=O)[O-])[C@@H](C)C1 251623257 572601123 /nfs/dbraw/zinc/60/11/23/572601123.db2.gz CPTPUJPOOGDHCU-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)c1nc2n(c1C=O)CCO2 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572601311 /nfs/dbraw/zinc/60/13/11/572601311.db2.gz URPILCGZEFJIAS-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN O=Cc1ccc([C@@H]2CCCOC2)o1 74304107 572601318 /nfs/dbraw/zinc/60/13/18/572601318.db2.gz LISXERZLZDELCG-MRVPVSSYSA-N 0 0 180.203 1.986 10 0 ADAERN COC(=O)N=c1s[nH]c2c1CCC2 65010010 572601324 /nfs/dbraw/zinc/60/13/24/572601324.db2.gz GLHHRRSLESEAJW-UHFFFAOYSA-N 0 0 198.247 1.810 10 0 ADAERN Cc1cc(N)n([C@H]2CCO[C@H](C)C2)n1 69891780 572601325 /nfs/dbraw/zinc/60/13/25/572601325.db2.gz ZMYNQBIYNIOUBK-BDAKNGLRSA-N 0 0 195.266 1.514 10 0 ADAERN CCc1n[nH]c2cc(C=O)sc12 74303620 572601336 /nfs/dbraw/zinc/60/13/36/572601336.db2.gz PXLOSYXPAIOGTK-UHFFFAOYSA-N 0 0 180.232 1.999 10 0 ADAERN CC(O)=CC(=O)CC(C)(C)C 140701173 572601338 /nfs/dbraw/zinc/60/13/38/572601338.db2.gz XOXBJAGFQHAKII-UHFFFAOYSA-N 0 0 156.225 1.971 10 0 ADAERN C/C=C/[C@H](O)C/C=C/OCOC 238356191 572601393 /nfs/dbraw/zinc/60/13/93/572601393.db2.gz GLWHZTYRJHBIMV-POKXWVQSSA-N 0 0 172.224 1.448 10 0 ADAERN Cc1sc(N)cc1-n1cnnc1 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/nfs/dbraw/zinc/60/19/76/572601976.db2.gz UGSYQMZSIRNUKH-MRVPVSSYSA-N 0 0 180.203 1.986 10 0 ADAERN CC/C=C\C(=O)NCCF 307843222 572602006 /nfs/dbraw/zinc/60/20/06/572602006.db2.gz ZEDQPKHLWYQAMK-ARJAWSKDSA-N 0 0 145.177 1.038 10 0 ADAERN Cc1cc(-c2cc(N)sn2)n[nH]1 74303586 572602014 /nfs/dbraw/zinc/60/20/14/572602014.db2.gz KIWAUMXJYKIUCK-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Cc1nc(-c2cn[nH]c2)c(N)s1 74303562 572602027 /nfs/dbraw/zinc/60/20/27/572602027.db2.gz SBSFRRBIGVZAJC-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN CC(C)[C@@H]1Nc2ccoc2NC1=O 74303877 572602038 /nfs/dbraw/zinc/60/20/38/572602038.db2.gz SMLZOSMREDMAQG-ZETCQYMHSA-N 0 0 180.207 1.668 10 0 ADAERN CCO[C@@H]1C[C@H]2CCC(=O)[C@@H]21 196656317 572602043 /nfs/dbraw/zinc/60/20/43/572602043.db2.gz JODLBIKORGFIMV-FTLITQJKSA-N 0 0 154.209 1.391 10 0 ADAERN CC(C)CNC(=O)OC(C)C 140751338 572602264 /nfs/dbraw/zinc/60/22/64/572602264.db2.gz DQYJFJDSOCBMPI-UHFFFAOYSA-N 0 0 159.229 1.777 10 0 ADAERN CC[C@H](O)[C@@H](C)C(O)(CC)CC 115161053 572602062 /nfs/dbraw/zinc/60/20/62/572602062.db2.gz WGWYVCDLCIIIEK-BDAKNGLRSA-N 0 0 174.284 1.945 10 0 ADAERN C[C@@H]1CCc2[nH]c(C(=O)[O-])nc2C1 74304025 572602089 /nfs/dbraw/zinc/60/20/89/572602089.db2.gz CVLLKWAIUOHPNO-RXMQYKEDSA-N 0 0 180.207 1.233 10 0 ADAERN Cc1cc(N)c(C[NH+]2CCCC2)o1 74303435 572602129 /nfs/dbraw/zinc/60/21/29/572602129.db2.gz PJTUFSAGSBBEEV-UHFFFAOYSA-N 0 0 180.251 1.766 10 0 ADAERN C=CC1=C[C@@H](O)C[C@H](C)C1 196512376 572602223 /nfs/dbraw/zinc/60/22/23/572602223.db2.gz FGUVUBBHBJGNHK-APPZFPTMSA-N 0 0 138.210 1.890 10 0 ADAERN C[C@H](CC(F)F)NC(=O)C1CC1 308071597 572602249 /nfs/dbraw/zinc/60/22/49/572602249.db2.gz BTILLFLLFFTMCR-RXMQYKEDSA-N 0 0 177.194 1.556 10 0 ADAERN CCC[C@@](C)(O)[C@H](C)COC 197910793 572602253 /nfs/dbraw/zinc/60/22/53/572602253.db2.gz JLOJVQYEVUHPTB-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN C=C=C(C(=O)OC)[C@H](O)/C=C/C(C)C 238354907 572602268 /nfs/dbraw/zinc/60/22/68/572602268.db2.gz CSKNHPFVHVTFOM-VQCYPWCPSA-N 0 0 196.246 1.444 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HQJRTBCIHIBGOB-UHFFFAOYSA-N 0 0 126.199 1.869 10 0 ADAERN CCO[C@H]1C[C@@H]2CCC(=O)[C@@H]21 196656346 572603421 /nfs/dbraw/zinc/60/34/21/572603421.db2.gz JODLBIKORGFIMV-CNUIFLNQSA-N 0 0 154.209 1.391 10 0 ADAERN CCC[C@](C)(O)[C@@H](C)COC 197910775 572603437 /nfs/dbraw/zinc/60/34/37/572603437.db2.gz JLOJVQYEVUHPTB-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN Cc1ccnc(-c2nc(C=O)c[nH]2)c1 69906712 572603446 /nfs/dbraw/zinc/60/34/46/572603446.db2.gz SNGOVNNQXPAHKX-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN COCCC(=O)OCCCCF 308072088 572603450 /nfs/dbraw/zinc/60/34/50/572603450.db2.gz BEBJGEUFBKHBFU-UHFFFAOYSA-N 0 0 178.203 1.316 10 0 ADAERN Cc1cc2c(o1)C[C@@H](CO)CC2=O 74304078 572603453 /nfs/dbraw/zinc/60/34/53/572603453.db2.gz LAFXZWLOOUZRJK-ZETCQYMHSA-N 0 0 180.203 1.325 10 0 ADAERN COC(=O)C[C@H](CCO)C(C)C 238356539 572603474 /nfs/dbraw/zinc/60/34/74/572603474.db2.gz BVQYSVUDYMMKAE-QMMMGPOBSA-N 0 0 174.240 1.204 10 0 ADAERN Cc1ncc(-c2cn(N)cn2)s1 74303598 572603526 /nfs/dbraw/zinc/60/35/26/572603526.db2.gz XWATWXPVHSFDNH-UHFFFAOYSA-N 0 0 180.236 1.029 10 0 ADAERN CC[C@@H](O)[C@H](C)COC 69903969 572603535 /nfs/dbraw/zinc/60/35/35/572603535.db2.gz RBMSMTSTLDUWHZ-RNFRBKRXSA-N 0 0 132.203 1.040 10 0 ADAERN c1cc(-c2nncs2)ccn1 140754827 572603542 /nfs/dbraw/zinc/60/35/42/572603542.db2.gz RRUMCHAXKPNPJO-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN O=Cc1cc([C@H]2CCCOC2)co1 74304100 572603565 /nfs/dbraw/zinc/60/35/65/572603565.db2.gz UGSYQMZSIRNUKH-QMMMGPOBSA-N 0 0 180.203 1.986 10 0 ADAERN Nc1c[nH]nc1Cc1cscn1 74303582 572603569 /nfs/dbraw/zinc/60/35/69/572603569.db2.gz HYNHKDOVRCCTDF-UHFFFAOYSA-N 0 0 180.236 1.039 10 0 ADAERN O=Cc1cocc1[C@@H]1CCCOC1 74304111 572603578 /nfs/dbraw/zinc/60/35/78/572603578.db2.gz MYQKLAANLBIKBR-MRVPVSSYSA-N 0 0 180.203 1.986 10 0 ADAERN O=Cc1c[nH]c(Cc2ccccn2)n1 69906728 572603583 /nfs/dbraw/zinc/60/35/83/572603583.db2.gz BCVXANSUPUWPMB-UHFFFAOYSA-N 0 0 187.202 1.208 10 0 ADAERN COC(=O)[C@H](N)C[C@@H](C)C(F)(F)F 115159624 572603604 /nfs/dbraw/zinc/60/36/04/572603604.db2.gz ISWVDFJQHODADP-RFZPGFLSSA-N 0 0 199.172 1.075 10 0 ADAERN C/C=C/CCNC=CC(=O)OC 234568322 572603611 /nfs/dbraw/zinc/60/36/11/572603611.db2.gz ABNIWKBQKTWBEY-PBOULFJWSA-N 0 0 169.224 1.229 10 0 ADAERN C[C@H]1CCc2[nH]c(C(=O)[O-])nc2C1 74304027 572603621 /nfs/dbraw/zinc/60/36/21/572603621.db2.gz CVLLKWAIUOHPNO-YFKPBYRVSA-N 0 0 180.207 1.233 10 0 ADAERN C[C@H]1COCCc2oc(C=O)cc21 74304090 572603635 /nfs/dbraw/zinc/60/36/35/572603635.db2.gz HOAADUJHNSGCDC-ZETCQYMHSA-N 0 0 180.203 1.768 10 0 ADAERN CCCC(=O)[C@@H](C)COC 69904352 572603694 /nfs/dbraw/zinc/60/36/94/572603694.db2.gz NCGKUMNUFHSATL-ZETCQYMHSA-N 0 0 144.214 1.638 10 0 ADAERN Cc1cc2c(o1)C[C@H](CO)CC2=O 74304075 572603702 /nfs/dbraw/zinc/60/37/02/572603702.db2.gz LAFXZWLOOUZRJK-SSDOTTSWSA-N 0 0 180.203 1.325 10 0 ADAERN C=CC(=O)N1C[C@H](C)S[C@H](C)C1 69908898 572603704 /nfs/dbraw/zinc/60/37/04/572603704.db2.gz DHLKGZNMQAVJSO-OCAPTIKFSA-N 0 0 185.292 1.525 10 0 ADAERN O=Cc1ccoc1C1CCOCC1 74304104 572603708 /nfs/dbraw/zinc/60/37/08/572603708.db2.gz CYECWTOKJKRKKA-UHFFFAOYSA-N 0 0 180.203 1.986 10 0 ADAERN Cc1cc(-c2ncsc2N)n[nH]1 74303565 572603719 /nfs/dbraw/zinc/60/37/19/572603719.db2.gz ALDXYPSMJBMVOJ-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN COC(=O)CCc1cc[nH]c1C 238356443 572603722 /nfs/dbraw/zinc/60/37/22/572603722.db2.gz HXDMEKDZPKIQJF-UHFFFAOYSA-N 0 0 167.208 1.429 10 0 ADAERN CC[C@@H](O)[C@@H](C)COC 69903966 572603731 /nfs/dbraw/zinc/60/37/31/572603731.db2.gz RBMSMTSTLDUWHZ-NKWVEPMBSA-N 0 0 132.203 1.040 10 0 ADAERN O=Cc1cc(-c2cscn2)on1 74304136 572603782 /nfs/dbraw/zinc/60/37/82/572603782.db2.gz YTSNCQHCQWFDAR-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN COC[C@H](C)C(=O)C(C)C 69904336 572603793 /nfs/dbraw/zinc/60/37/93/572603793.db2.gz IWDSQTANSHRJEQ-ZETCQYMHSA-N 0 0 144.214 1.494 10 0 ADAERN O=Cc1ccc([C@H]2CCCOC2)o1 74304108 572603801 /nfs/dbraw/zinc/60/38/01/572603801.db2.gz LISXERZLZDELCG-QMMMGPOBSA-N 0 0 180.203 1.986 10 0 ADAERN CCc1ncc2scc(C=O)n12 74303673 572603817 /nfs/dbraw/zinc/60/38/17/572603817.db2.gz KJBWIYHXYHCVKN-UHFFFAOYSA-N 0 0 180.232 1.771 10 0 ADAERN COC(=O)C=CNC[C@@H]1CC1(C)C 234570477 572603822 /nfs/dbraw/zinc/60/38/22/572603822.db2.gz XIWCLRVGSOJZHP-ZJELKQJVSA-N 0 0 183.251 1.309 10 0 ADAERN O=Cc1cnc(-c2cnoc2)s1 74304134 572603840 /nfs/dbraw/zinc/60/38/40/572603840.db2.gz CGGLIWIFXHTWJF-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN COC(=O)C=CNC[C@@H](C)C1CC1 234569539 572603851 /nfs/dbraw/zinc/60/38/51/572603851.db2.gz BWEQEPLQTPMDGF-HQZHTGGTSA-N 0 0 183.251 1.309 10 0 ADAERN CC[C@H](C)c1ncc(C=O)[nH]c1=O 74303857 572603935 /nfs/dbraw/zinc/60/39/35/572603935.db2.gz OUMUVMACZRUGBZ-LURJTMIESA-N 0 0 180.207 1.096 10 0 ADAERN Cc1nc(N)cn1-c1nccs1 74303581 572603938 /nfs/dbraw/zinc/60/39/38/572603938.db2.gz RRJSEUSMXCHSLZ-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN COC(=O)C=CNC[C@@H](C)SC 234569953 572603941 /nfs/dbraw/zinc/60/39/41/572603941.db2.gz OJMOCUARRWEFLD-SMMXGFFBSA-N 0 0 189.280 1.014 10 0 ADAERN O=C([O-])c1nc(C2CCCC2)c[nH]1 74304022 572603965 /nfs/dbraw/zinc/60/39/65/572603965.db2.gz FDHQIIPRQMUDAL-UHFFFAOYSA-N 0 0 180.207 1.766 10 0 ADAERN COC[C@H](C)[C@H]1CCCC[C@@H]1O 69906143 572603967 /nfs/dbraw/zinc/60/39/67/572603967.db2.gz ZBXMEQRVTKLJHF-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN O=Cc1ccoc1[C@@H]1CCCOC1 74304101 572603991 /nfs/dbraw/zinc/60/39/91/572603991.db2.gz RFFQKBSKFZFLQC-SECBINFHSA-N 0 0 180.203 1.986 10 0 ADAERN CC[C@H](O)[C@H](C)COC 69903968 572603996 /nfs/dbraw/zinc/60/39/96/572603996.db2.gz RBMSMTSTLDUWHZ-RQJHMYQMSA-N 0 0 132.203 1.040 10 0 ADAERN Cc1nc(-c2cc[nH]n2)sc1N 74303609 572604006 /nfs/dbraw/zinc/60/40/06/572604006.db2.gz HXNIGNHQMXVJLH-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN CCCC([C@H](O)CC)[C@H](O)CC 115166459 572604009 /nfs/dbraw/zinc/60/40/09/572604009.db2.gz CQUYAPWWIPBPLR-NXEZZACHSA-N 0 0 174.284 1.945 10 0 ADAERN O=Cc1cocc1[C@H]1CCCOC1 74304112 572604045 /nfs/dbraw/zinc/60/40/45/572604045.db2.gz MYQKLAANLBIKBR-QMMMGPOBSA-N 0 0 180.203 1.986 10 0 ADAERN COCc1cccc(COC)c1C=O 115129811 572604049 /nfs/dbraw/zinc/60/40/49/572604049.db2.gz XRWQVHBWEGIYKO-UHFFFAOYSA-N 0 0 194.230 1.792 10 0 ADAERN CCc1coc2c1CC[C@@H](CO)C2 74303539 572604077 /nfs/dbraw/zinc/60/40/77/572604077.db2.gz ZSUFJKNKGDSQQK-MRVPVSSYSA-N 0 0 180.247 1.939 10 0 ADAERN COC(=O)[C@@H](N)C[C@@H](C)C(F)(F)F 115159621 572604080 /nfs/dbraw/zinc/60/40/80/572604080.db2.gz ISWVDFJQHODADP-UHNVWZDZSA-N 0 0 199.172 1.075 10 0 ADAERN CC(C)c1noc2c1C(=O)CNC2 74303881 572604114 /nfs/dbraw/zinc/60/41/14/572604114.db2.gz VFLBNLLYEDTWBV-UHFFFAOYSA-N 0 0 180.207 1.084 10 0 ADAERN COC[C@@H](C)C(=O)C(C)C 69904337 572604121 /nfs/dbraw/zinc/60/41/21/572604121.db2.gz IWDSQTANSHRJEQ-SSDOTTSWSA-N 0 0 144.214 1.494 10 0 ADAERN CC[C@@]1(O)CCO[C@@H](C(C)C)C1 69896565 572604144 /nfs/dbraw/zinc/60/41/44/572604144.db2.gz OLLBKCKJOBQEDI-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1nc(-n2cccn2)sc1N 74303602 572604151 /nfs/dbraw/zinc/60/41/51/572604151.db2.gz NJXSWAHCIFFCNI-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CCCCCNC(=O)C(C)=C(C)N 115155940 572604198 /nfs/dbraw/zinc/60/41/98/572604198.db2.gz ASHKLJNYRRZWMC-HJWRWDBZSA-N 0 0 184.283 1.545 10 0 ADAERN COC(OC)[C@@H](O)C1=CCCCC1 234573950 572604239 /nfs/dbraw/zinc/60/42/39/572604239.db2.gz FLHFSVZSYRHAOU-VIFPVBQESA-N 0 0 186.251 1.467 10 0 ADAERN COC(=O)C=CNC[C@@H](C)C(C)C 234569487 572604250 /nfs/dbraw/zinc/60/42/50/572604250.db2.gz PRAYTDLZXFMCES-VUHVRTRXSA-N 0 0 185.267 1.555 10 0 ADAERN CC[C@]1(O)CCOC(C)(C)C1 69896796 572604265 /nfs/dbraw/zinc/60/42/65/572604265.db2.gz ACKJOFYHNIALJE-VIFPVBQESA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@@H](O)[C@@H](C)C(O)(CC)CC 115161051 572604290 /nfs/dbraw/zinc/60/42/90/572604290.db2.gz WGWYVCDLCIIIEK-RKDXNWHRSA-N 0 0 174.284 1.945 10 0 ADAERN O=Cc1cc(C2CCOCC2)co1 74304113 572604293 /nfs/dbraw/zinc/60/42/93/572604293.db2.gz ZHEXIJCNJJGJER-UHFFFAOYSA-N 0 0 180.203 1.986 10 0 ADAERN COC(=O)C=CNC[C@@H](C)C(C)(C)C 234569431 572604361 /nfs/dbraw/zinc/60/43/61/572604361.db2.gz PDYWTYKSGVIPHQ-XCODYQFDSA-N 0 0 199.294 1.945 10 0 ADAERN C[C@H](O)n1cc(Cl)ccc1=O 140702200 572604381 /nfs/dbraw/zinc/60/43/81/572604381.db2.gz ALXDCCXZZFUONQ-YFKPBYRVSA-N 0 0 173.599 1.013 10 0 ADAERN CCC[C@@H](O)[C@H](C)COC 69903936 572604390 /nfs/dbraw/zinc/60/43/90/572604390.db2.gz OWIWNVPYYGCEJO-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN CC[C@H](O)[C@H](C)C(O)(CC)CC 115161056 572604412 /nfs/dbraw/zinc/60/44/12/572604412.db2.gz WGWYVCDLCIIIEK-IUCAKERBSA-N 0 0 174.284 1.945 10 0 ADAERN COC(=O)C=CNCCCSC 234565919 572604417 /nfs/dbraw/zinc/60/44/17/572604417.db2.gz QYRCCAQVBRZTHO-GQCTYLIASA-N 0 0 189.280 1.016 10 0 ADAERN Cc1oc2c(c1C)C(=O)C[C@H](O)C2 74304067 572604423 /nfs/dbraw/zinc/60/44/23/572604423.db2.gz WTIQAQXXHJHRMI-ZETCQYMHSA-N 0 0 180.203 1.386 10 0 ADAERN COC[C@H](C)[C@@H](O)C(C)C 69903659 572604512 /nfs/dbraw/zinc/60/45/12/572604512.db2.gz PZLAFULMPQUFBM-YUMQZZPRSA-N 0 0 146.230 1.286 10 0 ADAERN C=CC(=O)N1C[C@H](C)S[C@@H](C)C1 69908899 572604525 /nfs/dbraw/zinc/60/45/25/572604525.db2.gz DHLKGZNMQAVJSO-YUMQZZPRSA-N 0 0 185.292 1.525 10 0 ADAERN C[C@@H]1COCCc2oc(C=O)cc21 74304087 572604581 /nfs/dbraw/zinc/60/45/81/572604581.db2.gz HOAADUJHNSGCDC-SSDOTTSWSA-N 0 0 180.203 1.768 10 0 ADAERN O=Cc1ccoc1[C@H]1CCCOC1 74304103 572604585 /nfs/dbraw/zinc/60/45/85/572604585.db2.gz RFFQKBSKFZFLQC-VIFPVBQESA-N 0 0 180.203 1.986 10 0 ADAERN COC[C@@H](C)n1ccnc1 69906441 572604611 /nfs/dbraw/zinc/60/46/11/572604611.db2.gz BTLPUVFUGNZHQW-SSDOTTSWSA-N 0 0 140.186 1.091 10 0 ADAERN CC1(C)C(=O)C[C@@]2(C)C=C[C@@H]1O2 196655693 572604623 /nfs/dbraw/zinc/60/46/23/572604623.db2.gz MBKRTIZDLPAITE-WCBMZHEXSA-N 0 0 166.220 1.699 10 0 ADAERN O=Cc1ncnc2c1CSCC2 74303679 572604646 /nfs/dbraw/zinc/60/46/46/572604646.db2.gz KGBWWDBNFJBLDA-UHFFFAOYSA-N 0 0 180.232 1.078 10 0 ADAERN COc1c(C)cnc(/C=C\CO)c1C 115137195 572604669 /nfs/dbraw/zinc/60/46/69/572604669.db2.gz DNDWQWJZFZSZSI-PLNGDYQASA-N 0 0 193.246 1.713 10 0 ADAERN CCC[C@H](O)[C@H](C)COC 69903935 572604676 /nfs/dbraw/zinc/60/46/76/572604676.db2.gz OWIWNVPYYGCEJO-SFYZADRCSA-N 0 0 146.230 1.430 10 0 ADAERN COC(=O)CC1C2CCC1CC2 115153742 572604678 /nfs/dbraw/zinc/60/46/78/572604678.db2.gz PGPQNKZSRKQNQP-UHFFFAOYSA-N 0 0 168.236 1.986 10 0 ADAERN O=Cc1c[nH]c(N2CCCCCC2)n1 69906753 572604687 /nfs/dbraw/zinc/60/46/87/572604687.db2.gz HXEFNNUJGMTRGY-UHFFFAOYSA-N 0 0 193.250 1.603 10 0 ADAERN COC[C@H](C)[C@@H](O)c1ccncc1 69903577 572604732 /nfs/dbraw/zinc/60/47/32/572604732.db2.gz RGPLFEQGIFLIIY-WCBMZHEXSA-N 0 0 181.235 1.398 10 0 ADAERN CCCCc1noc(C2(N)CC2)n1 308076544 572604734 /nfs/dbraw/zinc/60/47/34/572604734.db2.gz KYOSMBIQVOOSEO-UHFFFAOYSA-N 0 0 181.239 1.360 10 0 ADAERN C/C=C\C(=O)OCCOCC 115160787 572604783 /nfs/dbraw/zinc/60/47/83/572604783.db2.gz QRWSRYYCNCUFEC-HYXAFXHYSA-N 0 0 158.197 1.142 10 0 ADAERN C=CC1=C[C@H](O)C[C@@H](C)C1 196512385 572604818 /nfs/dbraw/zinc/60/48/18/572604818.db2.gz FGUVUBBHBJGNHK-IONNQARKSA-N 0 0 138.210 1.890 10 0 ADAERN CCCCC[C@@H]([NH3+])C[P@@](=O)([O-])O 115140639 572604831 /nfs/dbraw/zinc/60/48/31/572604831.db2.gz AXNUTLSYKFISGR-SSDOTTSWSA-N 0 0 195.199 1.072 10 0 ADAERN C/C=C/C=C\C(=O)N(C)CC 308071999 572604869 /nfs/dbraw/zinc/60/48/69/572604869.db2.gz BCWWDBRUVHIGED-AQXDOAQYSA-N 0 0 153.225 1.597 10 0 ADAERN COC(C)(C)[C@@H](NN)C1=CCCCC1 234569416 572604890 /nfs/dbraw/zinc/60/48/90/572604890.db2.gz BHJATDPHXPZDJV-JTQLQIEISA-N 0 0 198.310 1.744 10 0 ADAERN COC[C@@H](C)[C@H](O)C(C)C 69903664 572604895 /nfs/dbraw/zinc/60/48/95/572604895.db2.gz PZLAFULMPQUFBM-HTQZYQBOSA-N 0 0 146.230 1.286 10 0 ADAERN CCCC(C(=O)OCC)=C1CCCN1 209027774 572604903 /nfs/dbraw/zinc/60/49/03/572604903.db2.gz UOLYADMTTPTVOP-MDZDMXLPSA-N 0 0 197.278 1.987 10 0 ADAERN COC(=O)C=CNC[C@@H]1CC=CCC1 234573626 572604971 /nfs/dbraw/zinc/60/49/71/572604971.db2.gz NQSYXBQRFGIOQP-QROSGCPLSA-N 0 0 195.262 1.619 10 0 ADAERN CCCOC(=S)C=C(C)O 140742744 572605077 /nfs/dbraw/zinc/60/50/77/572605077.db2.gz JURJMRGRUVCRER-UHFFFAOYSA-N 0 0 160.238 1.720 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccccn1 115121850 572605096 /nfs/dbraw/zinc/60/50/96/572605096.db2.gz HJPKUZSUYGIONT-APPZFPTMSA-N 0 0 194.234 1.192 10 0 ADAERN COc1cc(C)cc2c1C(=O)CO2 714106207 572605102 /nfs/dbraw/zinc/60/51/02/572605102.db2.gz FFUSCPQQRFVRMX-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN Cc1c(CO)sc(CO)c1C 140760026 572605191 /nfs/dbraw/zinc/60/51/91/572605191.db2.gz SSSKTUHIRURGPG-UHFFFAOYSA-N 0 0 172.249 1.350 10 0 ADAERN COC[C@H](C)[C@H](O)C(C)C 69903661 572605193 /nfs/dbraw/zinc/60/51/93/572605193.db2.gz PZLAFULMPQUFBM-JGVFFNPUSA-N 0 0 146.230 1.286 10 0 ADAERN O=Cc1c[nH]c(Cc2ccncc2)n1 69906784 572605219 /nfs/dbraw/zinc/60/52/19/572605219.db2.gz SUIJUNZMKXFKQS-UHFFFAOYSA-N 0 0 187.202 1.208 10 0 ADAERN COC(=O)C=CNC[C@H]1CC=CCC1 234570592 572605275 /nfs/dbraw/zinc/60/52/75/572605275.db2.gz NQSYXBQRFGIOQP-JARNTUPDSA-N 0 0 195.262 1.619 10 0 ADAERN CC[C@@]1(O)CCO[C@H](C(C)C)C1 69896560 572605304 /nfs/dbraw/zinc/60/53/04/572605304.db2.gz OLLBKCKJOBQEDI-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)Cn1cnc2coc(N)c21 74305075 572605375 /nfs/dbraw/zinc/60/53/75/572605375.db2.gz XKAJCVALSYHHNP-UHFFFAOYSA-N 0 0 179.223 1.868 10 0 ADAERN COC(=O)C=CNC[C@H](C)SC 234573221 572605386 /nfs/dbraw/zinc/60/53/86/572605386.db2.gz OJMOCUARRWEFLD-KPJROHGDSA-N 0 0 189.280 1.014 10 0 ADAERN CCC[C@H](O)[C@@H](C)COC 69903933 572605390 /nfs/dbraw/zinc/60/53/90/572605390.db2.gz OWIWNVPYYGCEJO-YUMQZZPRSA-N 0 0 146.230 1.430 10 0 ADAERN COCCONC[C@H](C)C(C)C 308076535 572605409 /nfs/dbraw/zinc/60/54/09/572605409.db2.gz FXCISUNNKILMMY-VIFPVBQESA-N 0 0 175.272 1.446 10 0 ADAERN CC(C)(C)ONCCCCCCO 232492324 572605422 /nfs/dbraw/zinc/60/54/22/572605422.db2.gz MHARCXPSKMVDDJ-UHFFFAOYSA-N 0 0 189.299 1.859 10 0 ADAERN CS[C@@H]1CCC=C[C@H]1O 140763190 572605449 /nfs/dbraw/zinc/60/54/49/572605449.db2.gz JEQMOMPZNYFABZ-RNFRBKRXSA-N 0 0 144.239 1.429 10 0 ADAERN Nc1cc2nc(C=O)oc2cc1F 74304291 572605457 /nfs/dbraw/zinc/60/54/57/572605457.db2.gz HESLQDNVWTXLKV-UHFFFAOYSA-N 0 0 180.138 1.362 10 0 ADAERN CC[NH2+]Cc1cc(C(C)(C)OC)on1 300975765 572605529 /nfs/dbraw/zinc/60/55/29/572605529.db2.gz JULPKNFTHZFICF-UHFFFAOYSA-N 0 0 198.266 1.666 10 0 ADAERN COC(=O)C=CNC[C@H](C)C(C)C 234572916 572605538 /nfs/dbraw/zinc/60/55/38/572605538.db2.gz PRAYTDLZXFMCES-CYNONHLPSA-N 0 0 185.267 1.555 10 0 ADAERN C[C@@H](O)n1cc(Cl)ccc1=O 140702360 572605551 /nfs/dbraw/zinc/60/55/51/572605551.db2.gz ALXDCCXZZFUONQ-RXMQYKEDSA-N 0 0 173.599 1.013 10 0 ADAERN Nc1c(C2CCC2)nc2n1CCO2 74305190 572605567 /nfs/dbraw/zinc/60/55/67/572605567.db2.gz ANYLMFLXYJEBJY-UHFFFAOYSA-N 0 0 179.223 1.125 10 0 ADAERN CNC(=O)OCCCc1ccccn1 238356562 572605585 /nfs/dbraw/zinc/60/55/85/572605585.db2.gz ZBIHBZHWWLNQPB-UHFFFAOYSA-N 0 0 194.234 1.370 10 0 ADAERN Nc1ncn2c3c(sc12)CCC3 74304872 572605591 /nfs/dbraw/zinc/60/55/91/572605591.db2.gz LPASELFLZFAKPQ-UHFFFAOYSA-N 0 0 179.248 1.467 10 0 ADAERN COC(=O)c1cccc2c1COCO2 115156717 572605609 /nfs/dbraw/zinc/60/56/09/572605609.db2.gz LWWDKGUHMSHBBE-UHFFFAOYSA-N 0 0 194.186 1.340 10 0 ADAERN Nc1c(C2CC2)nc2n1CCCO2 74305121 572605615 /nfs/dbraw/zinc/60/56/15/572605615.db2.gz KMMYBVJJLMKFFT-UHFFFAOYSA-N 0 0 179.223 1.125 10 0 ADAERN CCn1c(C)nc2oc(N)c(C)c21 74305071 572605620 /nfs/dbraw/zinc/60/56/20/572605620.db2.gz GDVPBBQERSGLQD-UHFFFAOYSA-N 0 0 179.223 1.848 10 0 ADAERN O=Cc1cncc2c1CCSC2 74304927 572605659 /nfs/dbraw/zinc/60/56/59/572605659.db2.gz JICFKGJXBBRPBG-UHFFFAOYSA-N 0 0 179.244 1.683 10 0 ADAERN CC[C@H](O)[C@@H](C)COC 69903963 572605747 /nfs/dbraw/zinc/60/57/47/572605747.db2.gz RBMSMTSTLDUWHZ-BQBZGAKWSA-N 0 0 132.203 1.040 10 0 ADAERN C=COCCOC(=O)C(C)(C)F 308072129 572605753 /nfs/dbraw/zinc/60/57/53/572605753.db2.gz BVFLOIDJBZWMKT-UHFFFAOYSA-N 0 0 176.187 1.438 10 0 ADAERN COC[C@H](C)[C@@H]1CCC[C@@H]1O 69906151 572605771 /nfs/dbraw/zinc/60/57/71/572605771.db2.gz ZRBVONJLVFLXLK-CIUDSAMLSA-N 0 0 158.241 1.430 10 0 ADAERN COC[C@H](C)[C@H](O)CCSC 69903976 572605785 /nfs/dbraw/zinc/60/57/85/572605785.db2.gz ZFNATJWGCJBZPG-JGVFFNPUSA-N 0 0 178.297 1.383 10 0 ADAERN CSCC(=O)O[C@@]1(C)CCOC1 308072106 572605827 /nfs/dbraw/zinc/60/58/27/572605827.db2.gz BFPQVJUBFAXWAF-QMMMGPOBSA-N 0 0 190.264 1.072 10 0 ADAERN COC[C@@H](C)[C@H](O)c1ncccc1C 69904653 572605837 /nfs/dbraw/zinc/60/58/37/572605837.db2.gz KOCOUGPDQWBTSX-KOLCDFICSA-N 0 0 195.262 1.706 10 0 ADAERN COC[C@H](C)n1ccnc1 69906440 572605867 /nfs/dbraw/zinc/60/58/67/572605867.db2.gz BTLPUVFUGNZHQW-ZETCQYMHSA-N 0 0 140.186 1.091 10 0 ADAERN Cc1ccn(-c2cc(N)cs2)n1 74304918 572605870 /nfs/dbraw/zinc/60/58/70/572605870.db2.gz FCSCHOYEJSUZBN-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN CC[C@]1(O)CCO[C@H](C(C)C)C1 69896559 572605884 /nfs/dbraw/zinc/60/58/84/572605884.db2.gz OLLBKCKJOBQEDI-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN COC[C@H](C)[C@H]1CCC[C@@H]1O 69906154 572605962 /nfs/dbraw/zinc/60/59/62/572605962.db2.gz ZRBVONJLVFLXLK-YIZRAAEISA-N 0 0 158.241 1.430 10 0 ADAERN Cc1cc(N)sc1-n1ccnc1 74304897 572605999 /nfs/dbraw/zinc/60/59/99/572605999.db2.gz AIDLWIHWAASSJB-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN Nc1ncn2c(C3CC3)csc12 74304873 572606005 /nfs/dbraw/zinc/60/60/05/572606005.db2.gz VRAMEITXXOYBBV-UHFFFAOYSA-N 0 0 179.248 1.855 10 0 ADAERN Nc1ccccc1CCCCCO 74304750 572606017 /nfs/dbraw/zinc/60/60/17/572606017.db2.gz QCLZJXBRGZNAMR-UHFFFAOYSA-N 0 0 179.263 1.974 10 0 ADAERN CC[C@]1(O)CCO[C@@H](C(C)C)C1 69896563 572606019 /nfs/dbraw/zinc/60/60/19/572606019.db2.gz OLLBKCKJOBQEDI-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cc(-n2ccnc2)sc1N 74304893 572606021 /nfs/dbraw/zinc/60/60/21/572606021.db2.gz HKIQTRXLVSYOQX-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN C=C/C=C\CCNCc1noc(C)n1 713728739 572606031 /nfs/dbraw/zinc/60/60/31/572606031.db2.gz MEGLPSRFSRNKOL-PLNGDYQASA-N 0 0 193.250 1.600 10 0 ADAERN COC[C@@H](C)[C@@H](O)C(C)C 69903662 572606083 /nfs/dbraw/zinc/60/60/83/572606083.db2.gz PZLAFULMPQUFBM-SFYZADRCSA-N 0 0 146.230 1.286 10 0 ADAERN COC[C@@H](C)[C@H](O)CCSC 69903977 572606094 /nfs/dbraw/zinc/60/60/94/572606094.db2.gz ZFNATJWGCJBZPG-HTQZYQBOSA-N 0 0 178.297 1.383 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H](CCC2=O)C1=O 140793798 572606119 /nfs/dbraw/zinc/60/61/19/572606119.db2.gz ZRJRHTNMNNVOHU-BWZBUEFSSA-N 0 0 166.220 1.581 10 0 ADAERN NC(=O)C1[C@H]2CCCCC[C@H]12 140786928 572606158 /nfs/dbraw/zinc/60/61/58/572606158.db2.gz GOAMRDLGMKVMQX-BQBZGAKWSA-N 0 0 153.225 1.298 10 0 ADAERN Cc1nccn1-c1csc(N)c1 74304884 572606211 /nfs/dbraw/zinc/60/62/11/572606211.db2.gz KEOZKPRQWZLKRM-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN Cc1nc(N)cn1-c1cccs1 74304880 572606227 /nfs/dbraw/zinc/60/62/27/572606227.db2.gz FYAXISAOOVJKCZ-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN Cn1ccc(-c2sncc2N)c1 74304857 572606237 /nfs/dbraw/zinc/60/62/37/572606237.db2.gz ZNAFQHGJGINKOM-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN CC[C@H](C)C(=O)[C@H](C)COC 69904511 572606244 /nfs/dbraw/zinc/60/62/44/572606244.db2.gz MMRHHBIFJWNHMQ-JGVFFNPUSA-N 0 0 158.241 1.884 10 0 ADAERN O=Cc1cncc2c1SCCC2 74304928 572606296 /nfs/dbraw/zinc/60/62/96/572606296.db2.gz BUWXXXQILWMTTG-UHFFFAOYSA-N 0 0 179.244 1.932 10 0 ADAERN CC[C@@]1(O)CCOC(C)(C)C1 69896797 572606337 /nfs/dbraw/zinc/60/63/37/572606337.db2.gz ACKJOFYHNIALJE-SECBINFHSA-N 0 0 158.241 1.717 10 0 ADAERN COCCONC[C@@H](C)C(C)C 308076531 572606399 /nfs/dbraw/zinc/60/63/99/572606399.db2.gz FXCISUNNKILMMY-SECBINFHSA-N 0 0 175.272 1.446 10 0 ADAERN CO[C@H](C)C[C@@H]1COCCC1=O 234772895 572606409 /nfs/dbraw/zinc/60/64/09/572606409.db2.gz LUXNOUFHFGVNMS-HTQZYQBOSA-N 0 0 172.224 1.017 10 0 ADAERN CSC(=O)c1ccc(O)cc1 140768802 572606421 /nfs/dbraw/zinc/60/64/21/572606421.db2.gz ITEQFAGBCFCKDM-UHFFFAOYSA-N 0 0 168.217 1.895 10 0 ADAERN C[C@@H]1C[C@@]2(CCO1)C[C@H](O)CCO2 69900178 572606424 /nfs/dbraw/zinc/60/64/24/572606424.db2.gz OENGTSWACMQYRO-BBBLOLIVSA-N 0 0 186.251 1.095 10 0 ADAERN C[C@@H](O)[C@]1(c2ccccc2F)CO1 140840108 572606450 /nfs/dbraw/zinc/60/64/50/572606450.db2.gz UPVFJBRAVMFXMI-XCBNKYQSSA-N 0 0 182.194 1.432 10 0 ADAERN C=CC(=O)N1C[C@@H](C)S[C@H](C)C1 69908900 572606462 /nfs/dbraw/zinc/60/64/62/572606462.db2.gz DHLKGZNMQAVJSO-HTQZYQBOSA-N 0 0 185.292 1.525 10 0 ADAERN COC[C@H](C)[C@@H]1CCCC[C@@H]1O 69906141 572606477 /nfs/dbraw/zinc/60/64/77/572606477.db2.gz ZBXMEQRVTKLJHF-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)c1nc2c(N)occ2n1C 74305077 572606569 /nfs/dbraw/zinc/60/65/69/572606569.db2.gz WCBOWKOLAIYFNT-UHFFFAOYSA-N 0 0 179.223 1.872 10 0 ADAERN Cc1nc2c(c(=O)[nH]1)SCCC2 140818968 572606588 /nfs/dbraw/zinc/60/65/88/572606588.db2.gz UOEZKAMXXGVABS-UHFFFAOYSA-N 0 0 182.248 1.117 10 0 ADAERN CC(C)CSCCC(=O)N1CC1 308072182 572606602 /nfs/dbraw/zinc/60/66/02/572606602.db2.gz BZLMSSJTNUKASH-UHFFFAOYSA-N 0 0 187.308 1.608 10 0 ADAERN C[C@H](N)c1ncc(C(F)(F)F)o1 74304298 572606627 /nfs/dbraw/zinc/60/66/27/572606627.db2.gz HRGBPXNVLNCANS-VKHMYHEASA-N 0 0 180.129 1.713 10 0 ADAERN CCCC(=O)[C@H](C)COC 69904353 572606628 /nfs/dbraw/zinc/60/66/28/572606628.db2.gz NCGKUMNUFHSATL-SSDOTTSWSA-N 0 0 144.214 1.638 10 0 ADAERN CNC(=O)Nc1ccc(NC)cc1O 140705129 572606642 /nfs/dbraw/zinc/60/66/42/572606642.db2.gz JMDCXSHYMPRWLK-UHFFFAOYSA-N 0 0 195.222 1.185 10 0 ADAERN Cc1nccn1-c1ccc(N)s1 74304883 572606663 /nfs/dbraw/zinc/60/66/63/572606663.db2.gz FHPOBJARJOKUSN-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN CCOC(=O)C1=NO[C@@H](C(C)C)C1 115215185 572606678 /nfs/dbraw/zinc/60/66/78/572606678.db2.gz BELAYYSFOPJXLK-MRVPVSSYSA-N 0 0 185.223 1.350 10 0 ADAERN CNC(=O)OCC(=O)c1ccccc1 238356256 572606749 /nfs/dbraw/zinc/60/67/49/572606749.db2.gz OCHGINAQERGNSP-UHFFFAOYSA-N 0 0 193.202 1.225 10 0 ADAERN CCSC[C@](C)(O)CC 140799605 572606793 /nfs/dbraw/zinc/60/67/93/572606793.db2.gz MBYACXGCMZYQBO-SSDOTTSWSA-N 0 0 148.271 1.901 10 0 ADAERN CCC[C@@H](O)[C@@H](C)COC 69903934 572606796 /nfs/dbraw/zinc/60/67/96/572606796.db2.gz OWIWNVPYYGCEJO-JGVFFNPUSA-N 0 0 146.230 1.430 10 0 ADAERN Cc1nc(-n2cccc2)sc1N 74304915 572606827 /nfs/dbraw/zinc/60/68/27/572606827.db2.gz MPJULDPRYTYPLW-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN C[C@@H]1C[C@]2(CCO1)C[C@H](O)CCO2 69900188 572606828 /nfs/dbraw/zinc/60/68/28/572606828.db2.gz OENGTSWACMQYRO-OPRDCNLKSA-N 0 0 186.251 1.095 10 0 ADAERN CC1=N[C@@H](C)c2cnccc2N1 68297469 572606870 /nfs/dbraw/zinc/60/68/70/572606870.db2.gz GKFMUOZFOSCJLV-LURJTMIESA-N 0 0 161.208 1.796 10 0 ADAERN Cc1sc(N)cc1-n1ccnc1 74304895 572606885 /nfs/dbraw/zinc/60/68/85/572606885.db2.gz AANHHAVRJYMKEX-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN O=Cc1cncc2c1CSCC2 74304929 572606891 /nfs/dbraw/zinc/60/68/91/572606891.db2.gz QPXYXHOFRMCSKD-UHFFFAOYSA-N 0 0 179.244 1.683 10 0 ADAERN Cc1cc2ccncc2c(=O)[nH]1 140768924 572606905 /nfs/dbraw/zinc/60/69/05/572606905.db2.gz DAGRZMNZADRZGW-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN COC[C@@H](O)c1ncc(F)cc1F 140803067 572606918 /nfs/dbraw/zinc/60/69/18/572606918.db2.gz HDLRUQCIWGVPEO-SSDOTTSWSA-N 0 0 189.161 1.040 10 0 ADAERN Cc1nc(N)sc1-n1cccc1 74304917 572606948 /nfs/dbraw/zinc/60/69/48/572606948.db2.gz UCIPFFFQNOJTOL-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN N[C@H](CC(F)(F)F)c1ncco1 74304306 572606987 /nfs/dbraw/zinc/60/69/87/572606987.db2.gz NWXRKNALEACPSK-SCSAIBSYSA-N 0 0 180.129 1.627 10 0 ADAERN O[C@@H]1C=C[C@H]2CCC[C@@H]12 140792959 572607087 /nfs/dbraw/zinc/60/70/87/572607087.db2.gz FVZFELDACNUYQX-BWZBUEFSSA-N 0 0 124.183 1.333 10 0 ADAERN Cc1ccnn1-c1cc(N)cs1 74304906 572607088 /nfs/dbraw/zinc/60/70/88/572607088.db2.gz CMXXIGNREQVRLC-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN Cc1ccn(-c2csc(N)c2)n1 74304908 572607099 /nfs/dbraw/zinc/60/70/99/572607099.db2.gz IDOZNAKKXGHPAD-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN Cc1sc(-n2ccnc2)cc1N 74304890 572607106 /nfs/dbraw/zinc/60/71/06/572607106.db2.gz DWSYDMYXSQSBPP-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN CC(C)C[C@@H]1C=CCCC(=O)N1 140815198 572607126 /nfs/dbraw/zinc/60/71/26/572607126.db2.gz RCLNURAYRLHVRZ-VIFPVBQESA-N 0 0 167.252 1.867 10 0 ADAERN COC(=O)C[C@H](CO)c1ccccc1 238356923 572607167 /nfs/dbraw/zinc/60/71/67/572607167.db2.gz HOLMBNOMAZCQTF-SNVBAGLBSA-N 0 0 194.230 1.326 10 0 ADAERN CCCOc1ccc(C(=O)NC)cn1 115216353 572607205 /nfs/dbraw/zinc/60/72/05/572607205.db2.gz MWNUBYXSWXPFFW-UHFFFAOYSA-N 0 0 194.234 1.230 10 0 ADAERN CCOCC[C@H](O)CCCCF 308073769 572607233 /nfs/dbraw/zinc/60/72/33/572607233.db2.gz CMKBGGYVXDTYQK-SECBINFHSA-N 0 0 178.247 1.914 10 0 ADAERN COC(=O)CCc1cc(O)ccc1F 238356233 572607245 /nfs/dbraw/zinc/60/72/45/572607245.db2.gz YVOSLQXRWBSUIX-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN C[C@@H](O)Cc1n[nH]c2ccc(O)cc12 140797586 572607260 /nfs/dbraw/zinc/60/72/60/572607260.db2.gz HMTQEVUVQSITPQ-ZCFIWIBFSA-N 0 0 192.218 1.192 10 0 ADAERN C[C@@H]1C(=O)N[C@H]1/C=C/c1ccccc1 140721295 572607267 /nfs/dbraw/zinc/60/72/67/572607267.db2.gz JGEMVZNHFVDYPQ-QARYBLBWSA-N 0 0 187.242 1.834 10 0 ADAERN Cc1cc(N)sc1-n1cccn1 74304904 572607270 /nfs/dbraw/zinc/60/72/70/572607270.db2.gz PFUJZOODOZWZST-UHFFFAOYSA-N 0 0 179.248 1.824 10 0 ADAERN Cn1cc(C[C@@H](O)CC(C)(C)C)nn1 236075078 572607328 /nfs/dbraw/zinc/60/73/28/572607328.db2.gz MGKTWKGIRGVLCJ-SECBINFHSA-N 0 0 197.282 1.155 10 0 ADAERN C=C/C=C/CCNCc1noc(C)n1 713728743 572607336 /nfs/dbraw/zinc/60/73/36/572607336.db2.gz MEGLPSRFSRNKOL-SNAWJCMRSA-N 0 0 193.250 1.600 10 0 ADAERN COC/C=C/C[C@@H]1CCCO[C@H]1O 238357850 572607407 /nfs/dbraw/zinc/60/74/07/572607407.db2.gz NFOIEXHWIZDAGZ-HLKOZVMDSA-N 0 0 186.251 1.324 10 0 ADAERN c1cnc2[nH]c(CC3CC3)nc2n1 140763306 572607454 /nfs/dbraw/zinc/60/74/54/572607454.db2.gz QBDWBOOVUQGFMR-UHFFFAOYSA-N 0 0 174.207 1.305 10 0 ADAERN O=C(C[C@H]1CCOC1)OC1CC1 308073487 572607458 /nfs/dbraw/zinc/60/74/58/572607458.db2.gz DCVZRYHIKWGLKW-SSDOTTSWSA-N 0 0 170.208 1.119 10 0 ADAERN O=C(OCCF)[C@H]1CCC1(F)F 308072912 572607464 /nfs/dbraw/zinc/60/74/64/572607464.db2.gz CPZOOJAAWKFWDC-RXMQYKEDSA-N 0 0 182.141 1.544 10 0 ADAERN COC(OC)[C@@H]([NH3+])C1=CCCCCC1 234571276 572607474 /nfs/dbraw/zinc/60/74/74/572607474.db2.gz ONDKNTUBFGPGHL-JTQLQIEISA-N 0 0 199.294 1.823 10 0 ADAERN C[C@]1(O)Cc2cccc(N)c2C1 140776645 572607480 /nfs/dbraw/zinc/60/74/80/572607480.db2.gz XKFQDBNQKJYBQH-JTQLQIEISA-N 0 0 163.220 1.118 10 0 ADAERN CSCCOc1cc(C)n(C)n1 308073736 572607535 /nfs/dbraw/zinc/60/75/35/572607535.db2.gz BYEFUHHLSFBTJY-UHFFFAOYSA-N 0 0 186.280 1.470 10 0 ADAERN CC(=O)Nc1c(O)cccc1O 140772159 572607577 /nfs/dbraw/zinc/60/75/77/572607577.db2.gz MCCXQEPCVDELAO-UHFFFAOYSA-N 0 0 167.164 1.056 10 0 ADAERN CCOCC[C@@H](O)CCCCF 308073770 572607579 /nfs/dbraw/zinc/60/75/79/572607579.db2.gz CMKBGGYVXDTYQK-VIFPVBQESA-N 0 0 178.247 1.914 10 0 ADAERN CC[C@H](Cc1nccn1C)[C@@H](C)O 689683526 572607591 /nfs/dbraw/zinc/60/75/91/572607591.db2.gz WLDKIXXEXQJLQF-RKDXNWHRSA-N 0 0 182.267 1.370 10 0 ADAERN C[C@@H](CCC1CCOCC1)NN 308073401 572607593 /nfs/dbraw/zinc/60/75/93/572607593.db2.gz DBKXOLUMILSSAB-QMMMGPOBSA-N 0 0 172.272 1.045 10 0 ADAERN [NH3+][C@H]1CCc2cccc(CC(=O)[O-])c21 714106823 572607597 /nfs/dbraw/zinc/60/75/97/572607597.db2.gz YMTMCVPDVHRGPZ-VIFPVBQESA-N 0 0 191.230 1.260 10 0 ADAERN C/C=C\C(=O)OCC(=O)[C@@H](C)CC 209039269 572607603 /nfs/dbraw/zinc/60/76/03/572607603.db2.gz GHABXFHMTKONJW-HORMHSFOSA-N 0 0 184.235 1.721 10 0 ADAERN CNC(=O)OCCc1cccc(C)n1 238356885 572607610 /nfs/dbraw/zinc/60/76/10/572607610.db2.gz UXYXTDNGOUWWTN-UHFFFAOYSA-N 0 0 194.234 1.289 10 0 ADAERN COC(/C=C\c1ccncc1N)OC 209016249 572607619 /nfs/dbraw/zinc/60/76/19/572607619.db2.gz UTVCCQKPCIDDEE-ARJAWSKDSA-N 0 0 194.234 1.296 10 0 ADAERN C[C@@H]1C(=O)N[C@@H]1/C=C/c1ccccc1 140721826 572607677 /nfs/dbraw/zinc/60/76/77/572607677.db2.gz JGEMVZNHFVDYPQ-PRXIFDQHSA-N 0 0 187.242 1.834 10 0 ADAERN COC(=O)CCc1ccc(C)[nH]1 238357002 572607751 /nfs/dbraw/zinc/60/77/51/572607751.db2.gz ZDGBJXPPBUSBLS-UHFFFAOYSA-N 0 0 167.208 1.429 10 0 ADAERN CCCC1=C(O)C(C)(C)C1=O 140780416 572607764 /nfs/dbraw/zinc/60/77/64/572607764.db2.gz ZJUKHYPJVMIWSF-UHFFFAOYSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H](CCC1CCOCC1)NN 308073399 572607777 /nfs/dbraw/zinc/60/77/77/572607777.db2.gz DBKXOLUMILSSAB-MRVPVSSYSA-N 0 0 172.272 1.045 10 0 ADAERN Nc1nc2n(n1)[C@H]1CCCC[C@H]1CN2 236400495 572607784 /nfs/dbraw/zinc/60/77/84/572607784.db2.gz NSVCUIQZPCAKSN-BQBZGAKWSA-N 0 0 193.254 1.017 10 0 ADAERN CC[C@H](Cc1nccn1C)[C@H](C)O 689683523 572607855 /nfs/dbraw/zinc/60/78/55/572607855.db2.gz WLDKIXXEXQJLQF-DTWKUNHWSA-N 0 0 182.267 1.370 10 0 ADAERN CC(=O)Oc1ncccc1C 196658845 572607873 /nfs/dbraw/zinc/60/78/73/572607873.db2.gz LLTGBQQTRVVISK-UHFFFAOYSA-N 0 0 151.165 1.315 10 0 ADAERN COC1CC(Nc2ccnc(F)c2)C1 234773535 572607897 /nfs/dbraw/zinc/60/78/97/572607897.db2.gz QVYJETZUZZSWQU-UHFFFAOYSA-N 0 0 196.225 1.810 10 0 ADAERN COC1(CNc2ccncn2)CCC1 234773240 572607905 /nfs/dbraw/zinc/60/79/05/572607905.db2.gz HJLPBBMOPDZLEK-UHFFFAOYSA-N 0 0 193.250 1.458 10 0 ADAERN CNC(=O)OC[C@H](O)c1ccccc1 238357427 572609314 /nfs/dbraw/zinc/60/93/14/572609314.db2.gz OEGOOLFESQXRJX-VIFPVBQESA-N 0 0 195.218 1.076 10 0 ADAERN CCONCc1ccc(Cl)nc1 308073752 572607992 /nfs/dbraw/zinc/60/79/92/572607992.db2.gz BZLYHWVMQUQWSW-UHFFFAOYSA-N 0 0 186.642 1.776 10 0 ADAERN CCN(c1nnccc1C[NH3+])C(C)C 87613971 572609317 /nfs/dbraw/zinc/60/93/17/572609317.db2.gz NNTVAMHPZSKZJF-UHFFFAOYSA-N 0 0 194.282 1.170 10 0 ADAERN CC(=O)Nc1ncc[nH]c1=S 140822474 572608086 /nfs/dbraw/zinc/60/80/86/572608086.db2.gz KETOIZBORCXHJJ-UHFFFAOYSA-N 0 0 169.209 1.098 10 0 ADAERN CC[C@@H](Cc1nccn1C)[C@@H](C)O 689683522 572608098 /nfs/dbraw/zinc/60/80/98/572608098.db2.gz WLDKIXXEXQJLQF-BDAKNGLRSA-N 0 0 182.267 1.370 10 0 ADAERN O=C(CO)OCCCCC1CC1 308073353 572608102 /nfs/dbraw/zinc/60/81/02/572608102.db2.gz CZKXDCPSZIWBPO-UHFFFAOYSA-N 0 0 172.224 1.102 10 0 ADAERN CCOC(=O)C1=NO[C@H](C(C)C)C1 115215183 572609323 /nfs/dbraw/zinc/60/93/23/572609323.db2.gz BELAYYSFOPJXLK-QMMMGPOBSA-N 0 0 185.223 1.350 10 0 ADAERN CC(C)C(=O)Oc1ccc(O)cc1 140790843 572608212 /nfs/dbraw/zinc/60/82/12/572608212.db2.gz PNYFYTIRAMGKIM-UHFFFAOYSA-N 0 0 180.203 1.954 10 0 ADAERN Nc1nc2n(n1)[C@H]1CCCC[C@@H]1CN2 236400559 572608233 /nfs/dbraw/zinc/60/82/33/572608233.db2.gz NSVCUIQZPCAKSN-RQJHMYQMSA-N 0 0 193.254 1.017 10 0 ADAERN C[C@@H]1C(=O)N[C@@H]1/C=C\c1ccccc1 140720235 572609326 /nfs/dbraw/zinc/60/93/26/572609326.db2.gz JGEMVZNHFVDYPQ-UVMITHTMSA-N 0 0 187.242 1.834 10 0 ADAERN CC(C)c1ccnc(C(C)(C)O)n1 115214337 572608341 /nfs/dbraw/zinc/60/83/41/572608341.db2.gz OCRRVXIMCAEWGI-UHFFFAOYSA-N 0 0 180.251 1.827 10 0 ADAERN COC[C@H]([NH3+])c1cncc2cc[nH]c12 713728872 572608363 /nfs/dbraw/zinc/60/83/63/572608363.db2.gz MTQRZGTXVMFXET-VIFPVBQESA-N 0 0 191.234 1.209 10 0 ADAERN COc1ncc(CCC(C)=O)s1 308073060 572608366 /nfs/dbraw/zinc/60/83/66/572608366.db2.gz CHWBVHMZOLWIFL-UHFFFAOYSA-N 0 0 185.248 1.673 10 0 ADAERN COC(=O)C(=O)CCC=C(C)C 238356707 572608407 /nfs/dbraw/zinc/60/84/07/572608407.db2.gz SETQCRBQXKXDLW-UHFFFAOYSA-N 0 0 170.208 1.475 10 0 ADAERN CC[C@@H](Cc1nccn1C)[C@H](C)O 689683525 572608433 /nfs/dbraw/zinc/60/84/33/572608433.db2.gz WLDKIXXEXQJLQF-IUCAKERBSA-N 0 0 182.267 1.370 10 0 ADAERN CCC[C@H](O)/C=C/[S@@](C)=O 140807454 572608474 /nfs/dbraw/zinc/60/84/74/572608474.db2.gz VXOZEJFLXAPGRA-JPWADCQBSA-N 0 0 162.254 1.040 10 0 ADAERN O=c1cc1[C@H](O)c1ccccc1 196659192 572608476 /nfs/dbraw/zinc/60/84/76/572608476.db2.gz RYQPXHLLADMYGE-SNVBAGLBSA-N 0 0 160.172 1.004 10 0 ADAERN CC[C@H](CO)CCCCC(=O)OC 165901888 572608495 /nfs/dbraw/zinc/60/84/95/572608495.db2.gz IMRKGMYQKMOLKD-VIFPVBQESA-N 0 0 188.267 1.738 10 0 ADAERN CC[C@@H](C)N(C)c1nnccc1C[NH3+] 87613980 572608497 /nfs/dbraw/zinc/60/84/97/572608497.db2.gz MILHYCAXNSKMCO-MRVPVSSYSA-N 0 0 194.282 1.170 10 0 ADAERN c1occ2c1NC[C@H]1CCCN2C1 74306030 572608501 /nfs/dbraw/zinc/60/85/01/572608501.db2.gz LQWWVRIZPCYHLK-MRVPVSSYSA-N 0 0 178.235 1.922 10 0 ADAERN COP(=O)(C/C=C/CO)OC 238357887 572608525 /nfs/dbraw/zinc/60/85/25/572608525.db2.gz YYWUOFREHBIFNW-ONEGZZNKSA-N 0 0 180.140 1.021 10 0 ADAERN O=C(OCC(F)F)C1(F)CCC1 308073338 572608530 /nfs/dbraw/zinc/60/85/30/572608530.db2.gz CYKIGZGMRDHAQY-UHFFFAOYSA-N 0 0 182.141 1.687 10 0 ADAERN C/C=C\C(=O)O[C@@H](C)C(C)=O 209039682 572608531 /nfs/dbraw/zinc/60/85/31/572608531.db2.gz XOCPRAXXEVUZQT-MJSGSUOKSA-N 0 0 156.181 1.083 10 0 ADAERN C[C@H]1C(=O)N[C@H]1/C=C/c1ccccc1 140717904 572608552 /nfs/dbraw/zinc/60/85/52/572608552.db2.gz JGEMVZNHFVDYPQ-KLCSSHHSSA-N 0 0 187.242 1.834 10 0 ADAERN Cn1cc(C[C@H](CO)C(C)(C)C)nn1 236075985 572608556 /nfs/dbraw/zinc/60/85/56/572608556.db2.gz PKQJZMZCYJLUHB-MRVPVSSYSA-N 0 0 197.282 1.012 10 0 ADAERN CC(C)(C)[C@H](O)[C@@]1(C)CO1 140810197 572608560 /nfs/dbraw/zinc/60/85/60/572608560.db2.gz ABMVIHWNDWYSPT-POYBYMJQSA-N 0 0 144.214 1.182 10 0 ADAERN O=C1OCC[C@H]1Cc1ccc(O)cc1 140705594 572608570 /nfs/dbraw/zinc/60/85/70/572608570.db2.gz GPRLXYAOYSLXPE-VIFPVBQESA-N 0 0 192.214 1.498 10 0 ADAERN C/C=C\C(=O)OCC(=O)C(C)C 209039207 572608575 /nfs/dbraw/zinc/60/85/75/572608575.db2.gz ZFLFXBPPBMGZJA-PLNGDYQASA-N 0 0 170.208 1.331 10 0 ADAERN Nc1nc2n(n1)[C@@H]1CCCC[C@@H]1CN2 236400565 572608580 /nfs/dbraw/zinc/60/85/80/572608580.db2.gz NSVCUIQZPCAKSN-RNFRBKRXSA-N 0 0 193.254 1.017 10 0 ADAERN Nc1cc(N)c(Cl)c(N)c1 140722534 572608592 /nfs/dbraw/zinc/60/85/92/572608592.db2.gz USRUADMTSBLIML-UHFFFAOYSA-N 0 0 157.604 1.087 10 0 ADAERN O=C(CCc1cccs1)N1CC1 308072887 572608616 /nfs/dbraw/zinc/60/86/16/572608616.db2.gz CPNKNPDCPQVPIO-UHFFFAOYSA-N 0 0 181.260 1.523 10 0 ADAERN Nc1ncc(N)c(C2CCCC2)n1 74305883 572611213 /nfs/dbraw/zinc/61/12/13/572611213.db2.gz PKPHTSNSDABBSF-UHFFFAOYSA-N 0 0 178.239 1.299 10 0 ADAERN CC[C@H](C)N(C)c1nnccc1C[NH3+] 87613981 572608641 /nfs/dbraw/zinc/60/86/41/572608641.db2.gz MILHYCAXNSKMCO-QMMMGPOBSA-N 0 0 194.282 1.170 10 0 ADAERN Cc1ccc2c(c1)SC[C@H](CO)O2 196658631 572608653 /nfs/dbraw/zinc/60/86/53/572608653.db2.gz RPSCPINXPWIYFZ-QMMMGPOBSA-N 0 0 196.271 1.840 10 0 ADAERN O=C(OCc1nccs1)C(F)F 308073358 572608682 /nfs/dbraw/zinc/60/86/82/572608682.db2.gz DACJIHNNDWVZRN-UHFFFAOYSA-N 0 0 193.174 1.451 10 0 ADAERN Cc1ccc2c(c1)SC[C@@H](CO)O2 196658641 572608698 /nfs/dbraw/zinc/60/86/98/572608698.db2.gz RPSCPINXPWIYFZ-MRVPVSSYSA-N 0 0 196.271 1.840 10 0 ADAERN COCCOCC[C@@H](C)C(C)(C)O 238356723 572608701 /nfs/dbraw/zinc/60/87/01/572608701.db2.gz SUQGEFXQNZETFR-SECBINFHSA-N 0 0 190.283 1.447 10 0 ADAERN Nc1ncc(C2CCCCC2)nn1 74305955 572608716 /nfs/dbraw/zinc/60/87/16/572608716.db2.gz UWQJZBMVEOYTSN-UHFFFAOYSA-N 0 0 178.239 1.502 10 0 ADAERN CCCC[C@@H]1CC(=O)N[C@H]1[C@H](C)O 308073710 572608720 /nfs/dbraw/zinc/60/87/20/572608720.db2.gz JUVBZNZAMUCSRN-XKSSXDPKSA-N 0 0 185.267 1.062 10 0 ADAERN O=C1CCc2c1ccc(O)c2CO 714107338 572608814 /nfs/dbraw/zinc/60/88/14/572608814.db2.gz SGNLNWAYGIPVEQ-UHFFFAOYSA-N 0 0 178.187 1.013 10 0 ADAERN C[C@@H]1Oc2ccc(CO)cc2O1 196660289 572608903 /nfs/dbraw/zinc/60/89/03/572608903.db2.gz JFIWVCWZGWGTQV-ZCFIWIBFSA-N 0 0 166.176 1.296 10 0 ADAERN CCCc1ccc(=O)[nH]c1C 140782488 572608929 /nfs/dbraw/zinc/60/89/29/572608929.db2.gz QYRHCPANHPUSTN-UHFFFAOYSA-N 0 0 151.209 1.636 10 0 ADAERN CC(C)c1occc1CO 140772199 572609018 /nfs/dbraw/zinc/60/90/18/572609018.db2.gz INPQHRGEVRCAPG-UHFFFAOYSA-N 0 0 140.182 1.895 10 0 ADAERN O=C(OCCF)[C@@H]1CCC1(F)F 308072914 572609053 /nfs/dbraw/zinc/60/90/53/572609053.db2.gz CPZOOJAAWKFWDC-YFKPBYRVSA-N 0 0 182.141 1.544 10 0 ADAERN O=c1cc1[C@@H](O)c1ccccc1 196659182 572609074 /nfs/dbraw/zinc/60/90/74/572609074.db2.gz RYQPXHLLADMYGE-JTQLQIEISA-N 0 0 160.172 1.004 10 0 ADAERN CC(C)C[C@H]1C=CCCC(=O)N1 140815372 572609090 /nfs/dbraw/zinc/60/90/90/572609090.db2.gz RCLNURAYRLHVRZ-SECBINFHSA-N 0 0 167.252 1.867 10 0 ADAERN CC(C)CC(=O)C(=O)OC(C)C 115208774 572609159 /nfs/dbraw/zinc/60/91/59/572609159.db2.gz SXZJHJWZOCCJJJ-UHFFFAOYSA-N 0 0 172.224 1.553 10 0 ADAERN CCc1cccc2[nH+]c(N)[nH]c12 140707107 572609246 /nfs/dbraw/zinc/60/92/46/572609246.db2.gz UMHPHSIDQFQSSH-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN CC(C)(O)c1ccnc(C2CC2)n1 115276066 572610326 /nfs/dbraw/zinc/61/03/26/572610326.db2.gz PQZNQLUDHHFHHV-UHFFFAOYSA-N 0 0 178.235 1.581 10 0 ADAERN O=C(OCCCF)[C@H]1CCSC1 308076893 572609282 /nfs/dbraw/zinc/60/92/82/572609282.db2.gz FZLJPNYCLKNKGU-ZETCQYMHSA-N 0 0 192.255 1.642 10 0 ADAERN CCSC[C@@](C)(O)CC 140799425 572609286 /nfs/dbraw/zinc/60/92/86/572609286.db2.gz MBYACXGCMZYQBO-ZETCQYMHSA-N 0 0 148.271 1.901 10 0 ADAERN O=C(C[C@@H]1CCOC1)OC1CC1 308073491 572610330 /nfs/dbraw/zinc/61/03/30/572610330.db2.gz DCVZRYHIKWGLKW-ZETCQYMHSA-N 0 0 170.208 1.119 10 0 ADAERN Cn1c(C2CCCC2)cnc1C=O 74306142 572609347 /nfs/dbraw/zinc/60/93/47/572609347.db2.gz NTDNTPHDHCTGJH-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN COCCOCc1ccc(CO)cc1 238359038 572609353 /nfs/dbraw/zinc/60/93/53/572609353.db2.gz CFSMGVUNXOCLAP-UHFFFAOYSA-N 0 0 196.246 1.342 10 0 ADAERN O=Cc1cnoc1Cc1ccon1 74306708 572612208 /nfs/dbraw/zinc/61/22/08/572612208.db2.gz GXIPNXPZIMTRLU-UHFFFAOYSA-N 0 0 178.147 1.066 10 0 ADAERN COC/C=C(/C)C(C)(C)CCO 238357438 572609405 /nfs/dbraw/zinc/60/94/05/572609405.db2.gz RDPJSDSFXVGELD-UITAMQMPSA-N 0 0 172.268 1.988 10 0 ADAERN CO/C=C/CCCCCO 140809447 572609424 /nfs/dbraw/zinc/60/94/24/572609424.db2.gz FKMZWHALUTZBAD-SOFGYWHQSA-N 0 0 144.214 1.699 10 0 ADAERN Nc1nc2n(n1)[C@@H]1CCCC[C@H]1CN2 236400499 572609431 /nfs/dbraw/zinc/60/94/31/572609431.db2.gz NSVCUIQZPCAKSN-NKWVEPMBSA-N 0 0 193.254 1.017 10 0 ADAERN C[NH+](C)C[C@@H](C(=O)[O-])c1ccsc1 115223810 572609461 /nfs/dbraw/zinc/60/94/61/572609461.db2.gz HHYVGUBYDYMGJL-MRVPVSSYSA-N 0 0 199.275 1.478 10 0 ADAERN Cn1cc(C[C@H](O)CC(C)(C)C)nn1 236076419 572609484 /nfs/dbraw/zinc/60/94/84/572609484.db2.gz MGKTWKGIRGVLCJ-VIFPVBQESA-N 0 0 197.282 1.155 10 0 ADAERN CCON(C)C(=O)c1cscn1 308072900 572609514 /nfs/dbraw/zinc/60/95/14/572609514.db2.gz BMCFZLOLUWEAAF-UHFFFAOYSA-N 0 0 186.236 1.167 10 0 ADAERN COC[C@H](O)C1(O)CCCCCC1 234774296 572609544 /nfs/dbraw/zinc/60/95/44/572609544.db2.gz SXGHDGFGIFMWCJ-VIFPVBQESA-N 0 0 188.267 1.079 10 0 ADAERN Cc1ccnc(C(C)(C)O)n1 115217561 572609568 /nfs/dbraw/zinc/60/95/68/572609568.db2.gz RXEMMQGSIWCUTA-UHFFFAOYSA-N 0 0 152.197 1.012 10 0 ADAERN CNC(=S)CCCCC(=O)OC 238358846 572609582 /nfs/dbraw/zinc/60/95/82/572609582.db2.gz WQDBBQCXNIZOHZ-UHFFFAOYSA-N 0 0 189.280 1.267 10 0 ADAERN COC[C@H](O)c1ncc(F)cc1F 140803243 572609601 /nfs/dbraw/zinc/60/96/01/572609601.db2.gz HDLRUQCIWGVPEO-ZETCQYMHSA-N 0 0 189.161 1.040 10 0 ADAERN OC/C=C/C(Cl)(Cl)Cl 140718795 572609693 /nfs/dbraw/zinc/60/96/93/572609693.db2.gz NVZGBMVZQOPOHI-OWOJBTEDSA-N 0 0 175.442 1.905 10 0 ADAERN C[C@H]1C[C@@H]2C[C@@H](CCC2=O)C1=O 140793978 572609713 /nfs/dbraw/zinc/60/97/13/572609713.db2.gz ZRJRHTNMNNVOHU-XLPZGREQSA-N 0 0 166.220 1.581 10 0 ADAERN CN1CCNc2cc(CO)ccc21 74306021 572609780 /nfs/dbraw/zinc/60/97/80/572609780.db2.gz VJJYQULFUCIKAL-UHFFFAOYSA-N 0 0 178.235 1.041 10 0 ADAERN CCC[C@H](O)c1cc(C)cnc1N 69942852 572612776 /nfs/dbraw/zinc/61/27/76/572612776.db2.gz XGXATYMXBHXNOG-VIFPVBQESA-N 0 0 180.251 1.806 10 0 ADAERN CC(=O)N1CCc2cc(C=O)oc21 74305612 572609948 /nfs/dbraw/zinc/60/99/48/572609948.db2.gz QTVJIXIISMNMLN-UHFFFAOYSA-N 0 0 179.175 1.001 10 0 ADAERN Cc1nc(N)c2c(n1)CC[C@@H](C)C2 74306946 572612777 /nfs/dbraw/zinc/61/27/77/572612777.db2.gz POKXPSTWPXRNFT-ZCFIWIBFSA-N 0 0 177.251 1.492 10 0 ADAERN CC(C)CN(C)c1nnccc1C[NH3+] 87613979 572610046 /nfs/dbraw/zinc/61/00/46/572610046.db2.gz UTGSHEOXPBETNW-UHFFFAOYSA-N 0 0 194.282 1.028 10 0 ADAERN CCOc1ccc(O)c2c1OCC2=O 714110305 572610083 /nfs/dbraw/zinc/61/00/83/572610083.db2.gz QEHULHCRCMDARF-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN Cc1cc(-c2nonc2N)c(C)o1 74305592 572610113 /nfs/dbraw/zinc/61/01/13/572610113.db2.gz YQVBAXWFAAUGAN-UHFFFAOYSA-N 0 0 179.179 1.529 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])/C=C\[C@H](C)C(=O)[O-] 308074100 572611077 /nfs/dbraw/zinc/61/10/77/572611077.db2.gz LPUQCRUHJPNOPE-UCECNYEVSA-N 0 0 185.267 1.637 10 0 ADAERN CO[C@H]1CCC[C@@]2(CC(=O)CCO2)C1 234773660 572610150 /nfs/dbraw/zinc/61/01/50/572610150.db2.gz YWUCLYOFCQJQPC-WDEREUQCSA-N 0 0 198.262 1.694 10 0 ADAERN COCOc1ccc(CO)c(OC)c1 238358989 572610151 /nfs/dbraw/zinc/61/01/51/572610151.db2.gz SCALAFCTLVSORH-UHFFFAOYSA-N 0 0 198.218 1.170 10 0 ADAERN CCCCN(C)c1nnccc1C[NH3+] 87613960 572610155 /nfs/dbraw/zinc/61/01/55/572610155.db2.gz RMBJZPQUOLEYBP-UHFFFAOYSA-N 0 0 194.282 1.172 10 0 ADAERN O=C(OCCCF)[C@@H]1CCSC1 308076892 572610177 /nfs/dbraw/zinc/61/01/77/572610177.db2.gz FZLJPNYCLKNKGU-SSDOTTSWSA-N 0 0 192.255 1.642 10 0 ADAERN CCCN(CC)c1nnccc1C[NH3+] 87613975 572610209 /nfs/dbraw/zinc/61/02/09/572610209.db2.gz CJXZEWCUGJTIGA-UHFFFAOYSA-N 0 0 194.282 1.172 10 0 ADAERN CCCC[C@@H]1CC(=O)N[C@@H]1[C@H](C)O 308073708 572610237 /nfs/dbraw/zinc/61/02/37/572610237.db2.gz JUVBZNZAMUCSRN-QXFUBDJGSA-N 0 0 185.267 1.062 10 0 ADAERN CCc1nc2coc(C=O)c2n1C 74306536 572613315 /nfs/dbraw/zinc/61/33/15/572613315.db2.gz KQCOBUKMFHXPLQ-UHFFFAOYSA-N 0 0 178.191 1.541 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])/C=C\[C@@H](C)C(=O)[O-] 308074099 572611030 /nfs/dbraw/zinc/61/10/30/572611030.db2.gz LPUQCRUHJPNOPE-MGFHEENESA-N 0 0 185.267 1.637 10 0 ADAERN COc1noc(C(C)(C)C)c1C=O 140866567 572610424 /nfs/dbraw/zinc/61/04/24/572610424.db2.gz GCSPWPZKQYYTPI-UHFFFAOYSA-N 0 0 183.207 1.793 10 0 ADAERN Nc1c(C2CCCC2)cc[nH]c1=O 74306101 572610426 /nfs/dbraw/zinc/61/04/26/572610426.db2.gz OCRUHZXRTAFLKO-UHFFFAOYSA-N 0 0 178.235 1.615 10 0 ADAERN CN1C(=O)Oc2ccccc2[C@H]1O 140850967 572610452 /nfs/dbraw/zinc/61/04/52/572610452.db2.gz KWXCCONJUVNXHS-MRVPVSSYSA-N 0 0 179.175 1.122 10 0 ADAERN Cc1cc(C(=O)OCCF)no1 308075043 572613318 /nfs/dbraw/zinc/61/33/18/572613318.db2.gz CPCXRPMMQFTXRP-UHFFFAOYSA-N 0 0 173.143 1.109 10 0 ADAERN Cn1cccc1-c1ccc[nH]c1=O 140838466 572610539 /nfs/dbraw/zinc/61/05/39/572610539.db2.gz KQDQQRCAJQWJGA-UHFFFAOYSA-N 0 0 174.203 1.380 10 0 ADAERN CO[C@@H]1CCN(c2ccnc(F)c2)C1 234773950 572610560 /nfs/dbraw/zinc/61/05/60/572610560.db2.gz YINLKIFVQQKGHO-SECBINFHSA-N 0 0 196.225 1.446 10 0 ADAERN O=C1CCC(OCOCC2CC2)CC1 236401091 572610590 /nfs/dbraw/zinc/61/05/90/572610590.db2.gz HQYYULYSNFNGKD-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN Clc1nccc2c1OCC2 140829712 572610592 /nfs/dbraw/zinc/61/05/92/572610592.db2.gz SQTNGCUVVSUCKT-UHFFFAOYSA-N 0 0 155.584 1.670 10 0 ADAERN OCCC[C@@H]1CCC[C@H](CO)C1 115259811 572610660 /nfs/dbraw/zinc/61/06/60/572610660.db2.gz JVNYYWPTRACRQL-UWVGGRQHSA-N 0 0 172.268 1.558 10 0 ADAERN CC(=O)Oc1ccc(C)cn1 196658855 572610719 /nfs/dbraw/zinc/61/07/19/572610719.db2.gz UVEVMHYOKTZUER-UHFFFAOYSA-N 0 0 151.165 1.315 10 0 ADAERN Nc1nc(C=O)cc(C2CCC2)n1 74307400 572613468 /nfs/dbraw/zinc/61/34/68/572613468.db2.gz DBRCEEQOHMSIBJ-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN C[C@@H](O)C[C@@H](O)c1ccco1 140830176 572610794 /nfs/dbraw/zinc/61/07/94/572610794.db2.gz ICRWDOSEGCMWPS-RNFRBKRXSA-N 0 0 156.181 1.084 10 0 ADAERN CCCCn1ccc(=O)c(=O)cc1 140851354 572610832 /nfs/dbraw/zinc/61/08/32/572610832.db2.gz QFZMOOBFZAORSN-UHFFFAOYSA-N 0 0 179.219 1.009 10 0 ADAERN CC1=C[C@H](O)[C@@H](C)CC1 140823244 572610839 /nfs/dbraw/zinc/61/08/39/572610839.db2.gz QJHURMQQXSYNRW-YUMQZZPRSA-N 0 0 126.199 1.724 10 0 ADAERN CCC[C@H](O)c1c(C)ccnc1N 69941931 572613472 /nfs/dbraw/zinc/61/34/72/572613472.db2.gz PBQMZFUTSUXPKN-QMMMGPOBSA-N 0 0 180.251 1.806 10 0 ADAERN OCCC[C@@H]1CCC[C@@H](CO)C1 115259807 572610875 /nfs/dbraw/zinc/61/08/75/572610875.db2.gz JVNYYWPTRACRQL-VHSXEESVSA-N 0 0 172.268 1.558 10 0 ADAERN O[C@@H]1C=COC12CCCCC2 140826073 572611754 /nfs/dbraw/zinc/61/17/54/572611754.db2.gz OHKZDQDEZXTQFR-MRVPVSSYSA-N 0 0 154.209 1.594 10 0 ADAERN O=Cc1ccn(-c2ccoc2)c(=O)c1 140866560 572610914 /nfs/dbraw/zinc/61/09/14/572610914.db2.gz YEGOGAVUCRVUGP-UHFFFAOYSA-N 0 0 189.170 1.243 10 0 ADAERN Cc1coc(-c2oncc2C=O)n1 74306768 572611758 /nfs/dbraw/zinc/61/17/58/572611758.db2.gz DUBHAGQQESZVAZ-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CC(C)n1ccnc1CN(C)C 115248750 572611760 /nfs/dbraw/zinc/61/17/60/572611760.db2.gz RZWVCQVHXBZMHQ-UHFFFAOYSA-N 0 0 167.256 1.526 10 0 ADAERN COC[C@H](O)C1(C)CCCCC1 234774232 572610983 /nfs/dbraw/zinc/61/09/83/572610983.db2.gz SSWLHFSNUAPVAR-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN COc1ccc2c(c1CO)CCO2 140854570 572610984 /nfs/dbraw/zinc/61/09/84/572610984.db2.gz FKIAVYSNAUEDDS-UHFFFAOYSA-N 0 0 180.203 1.122 10 0 ADAERN CC[C@@](C)(O)Cc1cccnc1N 69943809 572614115 /nfs/dbraw/zinc/61/41/15/572614115.db2.gz AWJZRTGTZHCOCA-SNVBAGLBSA-N 0 0 180.251 1.367 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])/C=C/[C@H](C)C(=O)[O-] 308074097 572611111 /nfs/dbraw/zinc/61/11/11/572611111.db2.gz LPUQCRUHJPNOPE-KDBYFZRGSA-N 0 0 185.267 1.637 10 0 ADAERN COc1ccc(-c2cc2=O)cc1 196659217 572611112 /nfs/dbraw/zinc/61/11/12/572611112.db2.gz MSMSULYFCIEBSF-UHFFFAOYSA-N 0 0 160.172 1.598 10 0 ADAERN COc1cc(CON)cc(C2CC2)c1 238357833 572611128 /nfs/dbraw/zinc/61/11/28/572611128.db2.gz CQNSHFHTRTZPOA-UHFFFAOYSA-N 0 0 193.246 1.963 10 0 ADAERN O=c1cc1C1=CCCCC1 196659207 572611132 /nfs/dbraw/zinc/61/11/32/572611132.db2.gz APMOREGATWDKRW-UHFFFAOYSA-N 0 0 134.178 1.880 10 0 ADAERN CCc1ccc(O)c2c1OCC2=O 714110387 572611215 /nfs/dbraw/zinc/61/12/15/572611215.db2.gz SHILCLOCVINWGH-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN C[C@H]1Oc2ccc(CO)cc2O1 196660298 572611237 /nfs/dbraw/zinc/61/12/37/572611237.db2.gz JFIWVCWZGWGTQV-LURJTMIESA-N 0 0 166.176 1.296 10 0 ADAERN O=C(OCCF)c1ccncc1 308074054 572611283 /nfs/dbraw/zinc/61/12/83/572611283.db2.gz DHDHMITXKKPGNW-UHFFFAOYSA-N 0 0 169.155 1.208 10 0 ADAERN Cc1ccc([S@@](=O)C[C@H](C)O)cc1 140834127 572611289 /nfs/dbraw/zinc/61/12/89/572611289.db2.gz NBKKIONKSZXVKW-TVQRCGJNSA-N 0 0 198.287 1.483 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](C[NH3+])C(=O)[O-])C1 140827165 572611324 /nfs/dbraw/zinc/61/13/24/572611324.db2.gz IYXSVKNCIYKILM-GJMOJQLCSA-N 0 0 171.240 1.082 10 0 ADAERN COCOc1cc(F)ccc1CO 238357751 572611448 /nfs/dbraw/zinc/61/14/48/572611448.db2.gz OEOFBCURTKYMEI-UHFFFAOYSA-N 0 0 186.182 1.301 10 0 ADAERN Cc1cc(-c2oncc2C=O)on1 74306710 572611778 /nfs/dbraw/zinc/61/17/78/572611778.db2.gz PGUKERFSLLMLEE-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CCc1cc(-c2n[nH]cc2N)no1 74306371 572611786 /nfs/dbraw/zinc/61/17/86/572611786.db2.gz HURPHYWEOQEMAK-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN CC1=C[C@@H](O)[C@H](C)CC1 140823448 572611573 /nfs/dbraw/zinc/61/15/73/572611573.db2.gz QJHURMQQXSYNRW-HTQZYQBOSA-N 0 0 126.199 1.724 10 0 ADAERN CC(C)(C)C1=C(CO)N=NC1=O 140856377 572611602 /nfs/dbraw/zinc/61/16/02/572611602.db2.gz YHAMJLOWBSFSNH-UHFFFAOYSA-N 0 0 168.196 1.271 10 0 ADAERN CC1=C[C@H](O)[C@H](C)CC1 140823050 572611641 /nfs/dbraw/zinc/61/16/41/572611641.db2.gz QJHURMQQXSYNRW-SFYZADRCSA-N 0 0 126.199 1.724 10 0 ADAERN CC(=O)c1ccc(CO)cc1F 140874375 572611664 /nfs/dbraw/zinc/61/16/64/572611664.db2.gz ADYISPOOVRWVSS-UHFFFAOYSA-N 0 0 168.167 1.521 10 0 ADAERN CC(C)c1ncccc2nc(N)nc1-2 140864544 572611670 /nfs/dbraw/zinc/61/16/70/572611670.db2.gz QHZKPDJBYAGUKR-UHFFFAOYSA-N 0 0 188.234 1.682 10 0 ADAERN Nc1cnncc1-c1cscn1 74306199 572614437 /nfs/dbraw/zinc/61/44/37/572614437.db2.gz WGVKZJUAPXIGAV-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCC[C@@H](O)c1cc(C)cnc1N 69942853 572615313 /nfs/dbraw/zinc/61/53/13/572615313.db2.gz XGXATYMXBHXNOG-SECBINFHSA-N 0 0 180.251 1.806 10 0 ADAERN Cc1nc(N)oc1-n1ccnc1C 74306403 572611980 /nfs/dbraw/zinc/61/19/80/572611980.db2.gz OAVZROHYSMLNNO-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN CCOC(=O)c1ccnn1C(C)(C)C 72190617 572611994 /nfs/dbraw/zinc/61/19/94/572611994.db2.gz UAMXBJPBALYOPF-UHFFFAOYSA-N 0 0 196.250 1.815 10 0 ADAERN COC(=O)CCc1ccc(F)c(O)c1 238357731 572612007 /nfs/dbraw/zinc/61/20/07/572612007.db2.gz YAJJZYBEJLLQMW-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN Nc1ncccc1[C@@H]([NH3+])c1ccoc1 69946547 572612016 /nfs/dbraw/zinc/61/20/16/572612016.db2.gz WIXPWPURAZOBBE-VIFPVBQESA-N 0 0 189.218 1.305 10 0 ADAERN Nc1cnsc1-c1ccncc1 74307135 572612031 /nfs/dbraw/zinc/61/20/31/572612031.db2.gz IFLLDFSYNBKAKY-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1ccn(-c2oc(N)nc2C)n1 74306466 572612043 /nfs/dbraw/zinc/61/20/43/572612043.db2.gz JPTSQPIDIRWVMK-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1C[C@H]2CCCC[N@@H+]2C1 251700789 572612076 /nfs/dbraw/zinc/61/20/76/572612076.db2.gz XIBCPHAVUPKEMO-IVZWLZJFSA-N 0 0 197.278 1.582 10 0 ADAERN CN(C=O)C(=O)Nc1ccccc1 140830088 572612096 /nfs/dbraw/zinc/61/20/96/572612096.db2.gz ZQAIYZFBRXSBTG-UHFFFAOYSA-N 0 0 178.191 1.307 10 0 ADAERN Nc1cncnc1-c1nccs1 74306202 572612106 /nfs/dbraw/zinc/61/21/06/572612106.db2.gz QDWWETIVHZHSJD-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O[C@H]1C=COC12CCCCC2 140826268 572612718 /nfs/dbraw/zinc/61/27/18/572612718.db2.gz OHKZDQDEZXTQFR-QMMMGPOBSA-N 0 0 154.209 1.594 10 0 ADAERN CC[C@@H](N)c1nc2ccnnc2o1 74306346 572612127 /nfs/dbraw/zinc/61/21/27/572612127.db2.gz WBCLRXQRJGVJFR-RXMQYKEDSA-N 0 0 178.195 1.028 10 0 ADAERN COC(OC)(OC)C(F)(F)F 140830158 572612159 /nfs/dbraw/zinc/61/21/59/572612159.db2.gz YOPRCDRCWXCAMG-UHFFFAOYSA-N 0 0 174.118 1.142 10 0 ADAERN CN1C(=O)Oc2ccccc2[C@@H]1O 140851152 572612197 /nfs/dbraw/zinc/61/21/97/572612197.db2.gz KWXCCONJUVNXHS-QMMMGPOBSA-N 0 0 179.175 1.122 10 0 ADAERN Cc1cc(CO)nc(-c2ccoc2)n1 69947181 572612212 /nfs/dbraw/zinc/61/22/12/572612212.db2.gz NUIQTKWPBQGZQQ-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN CC(=O)c1cc(O)c(C)c(O)c1 140874495 572612246 /nfs/dbraw/zinc/61/22/46/572612246.db2.gz VOCZEYOHTDAHEK-UHFFFAOYSA-N 0 0 166.176 1.609 10 0 ADAERN CC(C)c1nccn1Cc1ncon1 69950259 572612904 /nfs/dbraw/zinc/61/29/04/572612904.db2.gz NCGYGWCPODSRJX-UHFFFAOYSA-N 0 0 192.222 1.438 10 0 ADAERN Cc1ccn(-c2ccoc2)c(=O)c1 140866188 572612300 /nfs/dbraw/zinc/61/23/00/572612300.db2.gz RQAJWXMJUYTFEE-UHFFFAOYSA-N 0 0 175.187 1.739 10 0 ADAERN O=Cc1ccc(-c2cscn2)[nH]1 74306222 572612302 /nfs/dbraw/zinc/61/23/02/572612302.db2.gz GLQCQCOZMBSESF-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN Cc1n[nH]c(C)c1-c1oncc1N 74306406 572612305 /nfs/dbraw/zinc/61/23/05/572612305.db2.gz FYZDWKSNGPTCGU-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN CCc1c(OC)ccc2c1OCC2=O 714112108 572612997 /nfs/dbraw/zinc/61/29/97/572612997.db2.gz OOTGDLQKQZFXLA-UHFFFAOYSA-N 0 0 192.214 1.833 10 0 ADAERN CC(C)(C)c1cccc(C(N)=O)c1N 140873184 572612369 /nfs/dbraw/zinc/61/23/69/572612369.db2.gz OMLBXZPACSTMSJ-UHFFFAOYSA-N 0 0 192.262 1.665 10 0 ADAERN OCCC[C@H]1CCC[C@@H](CO)C1 115259809 572612402 /nfs/dbraw/zinc/61/24/02/572612402.db2.gz JVNYYWPTRACRQL-NXEZZACHSA-N 0 0 172.268 1.558 10 0 ADAERN COP(=O)(OC)C(=O)NC(C)C 238358572 572612411 /nfs/dbraw/zinc/61/24/11/572612411.db2.gz YAPRNOARKOYTAJ-UHFFFAOYSA-N 0 0 195.155 1.590 10 0 ADAERN COC1CC(OC(=O)C2CC2)C1 308075793 572617025 /nfs/dbraw/zinc/61/70/25/572617025.db2.gz CUAPBRUTLLJHDN-UHFFFAOYSA-N 0 0 170.208 1.117 10 0 ADAERN C[C@@H](O)[C@@H]1CCCC(C)(C)C1=O 140825700 572612483 /nfs/dbraw/zinc/61/24/83/572612483.db2.gz IUELXWOOZXBAGE-SFYZADRCSA-N 0 0 170.252 1.763 10 0 ADAERN COc1c(N)cc(C)c2c1CCN2 74306177 572612490 /nfs/dbraw/zinc/61/24/90/572612490.db2.gz WYMNNVBDQWVQCB-UHFFFAOYSA-N 0 0 178.235 1.554 10 0 ADAERN COCCC[C@H]1CCC(=O)CO1 238357814 572612500 /nfs/dbraw/zinc/61/25/00/572612500.db2.gz BTWKQYYMLUAQGN-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN Cn1cc(CC(=O)c2ccoc2)cn1 69946114 572612501 /nfs/dbraw/zinc/61/25/01/572612501.db2.gz FFXXLQTWRWXLGS-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN Cc1nc(-c2n[nH]cc2N)oc1C 74306396 572612540 /nfs/dbraw/zinc/61/25/40/572612540.db2.gz UCMXCUROHGSYFA-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN Cc1cc(C)c2c(n1)C[C@@H](O)CC2 74307000 572612449 /nfs/dbraw/zinc/61/24/49/572612449.db2.gz BDQNOCXRDBCKEL-VIFPVBQESA-N 0 0 177.247 1.548 10 0 ADAERN Nc1cc(Cc2cncnc2)ccn1 69942492 572612587 /nfs/dbraw/zinc/61/25/87/572612587.db2.gz RMSVWIYHXQTTNP-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Cc1ccc([S@@](=O)C[C@@H](C)O)cc1 140833917 572612590 /nfs/dbraw/zinc/61/25/90/572612590.db2.gz NBKKIONKSZXVKW-NOZJJQNGSA-N 0 0 198.287 1.483 10 0 ADAERN Cc1cnc(-c2oncc2C=O)o1 74306767 572612603 /nfs/dbraw/zinc/61/26/03/572612603.db2.gz VSEVJBSKAUEVBO-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CCCCC(C)(CCO)CCO 115234830 572612643 /nfs/dbraw/zinc/61/26/43/572612643.db2.gz ZIFRTKRDFVJSRM-UHFFFAOYSA-N 0 0 174.284 1.948 10 0 ADAERN Cn1cc(C[C@H]([NH3+])c2ccoc2)cn1 69946439 572612650 /nfs/dbraw/zinc/61/26/50/572612650.db2.gz QQOQKZRCBLJNJS-JTQLQIEISA-N 0 0 191.234 1.256 10 0 ADAERN Cc1nocc1-c1cc(C=O)no1 74306699 572612651 /nfs/dbraw/zinc/61/26/51/572612651.db2.gz WWHJZAHFNKEGSB-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN COc1ccc(/C=C(\F)CO)cc1 166053286 572612652 /nfs/dbraw/zinc/61/26/52/572612652.db2.gz DWYWKQKDWNNSDO-TWGQIWQCSA-N 0 0 182.194 1.998 10 0 ADAERN CC(C)C(=O)Cc1ccnc(N)c1 69942028 572612654 /nfs/dbraw/zinc/61/26/54/572612654.db2.gz DHNVQKNZBJKTQG-UHFFFAOYSA-N 0 0 178.235 1.431 10 0 ADAERN O=Cc1ccc(-c2nccs2)[nH]1 74306221 572612655 /nfs/dbraw/zinc/61/26/55/572612655.db2.gz DFJYJFDQWSXUBZ-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN O=Cc1ccn(-c2cccs2)n1 74306230 572612656 /nfs/dbraw/zinc/61/26/56/572612656.db2.gz JLCFXOJZLOXLGZ-UHFFFAOYSA-N 0 0 178.216 1.746 10 0 ADAERN Cc1ncoc1-c1cc(C=O)no1 74306766 572612658 /nfs/dbraw/zinc/61/26/58/572612658.db2.gz QFYXBZBLYYCHBA-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CCCN[S@](=O)CCC 140829786 572612666 /nfs/dbraw/zinc/61/26/66/572612666.db2.gz WMMZHTADICGMTC-VIFPVBQESA-N 0 0 149.259 1.060 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H](C[NH3+])C(=O)[O-])C1 140827525 572612715 /nfs/dbraw/zinc/61/27/15/572612715.db2.gz IYXSVKNCIYKILM-BWZBUEFSSA-N 0 0 171.240 1.082 10 0 ADAERN Nc1cc(-c2cccnc2)ns1 74307142 572612728 /nfs/dbraw/zinc/61/27/28/572612728.db2.gz UKIUXARKHCFRND-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN CCCC[C@H](CO)OCCC 140880220 572612744 /nfs/dbraw/zinc/61/27/44/572612744.db2.gz PANGODASAULMRP-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CCC[C@@H](O)c1c(C)ccnc1N 69941932 572612748 /nfs/dbraw/zinc/61/27/48/572612748.db2.gz PBQMZFUTSUXPKN-MRVPVSSYSA-N 0 0 180.251 1.806 10 0 ADAERN Cc1cnc(N)c([C@](C)(O)C2CC2)c1 69942758 572612770 /nfs/dbraw/zinc/61/27/70/572612770.db2.gz FHUUCWMJHAHZOM-LLVKDONJSA-N 0 0 192.262 1.590 10 0 ADAERN O[C@H]1CCc2c([nH]c3c2CCC3)C1 74306998 572612781 /nfs/dbraw/zinc/61/27/81/572612781.db2.gz ZBNAAKIHZLAOPP-ZETCQYMHSA-N 0 0 177.247 1.353 10 0 ADAERN C[C@H]1Nc2ccc(O)cc2NC1=O 74306497 572612784 /nfs/dbraw/zinc/61/27/84/572612784.db2.gz BIHOKENBBCLZKH-RXMQYKEDSA-N 0 0 178.191 1.145 10 0 ADAERN Nc1cnoc1CCc1ccco1 74306567 572612806 /nfs/dbraw/zinc/61/28/06/572612806.db2.gz MXANNJZYXFZIGN-UHFFFAOYSA-N 0 0 178.191 1.635 10 0 ADAERN Cc1cnc(-c2ocnc2C=O)o1 74306726 572612829 /nfs/dbraw/zinc/61/28/29/572612829.db2.gz GUUFAODCLLTEBJ-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN Oc1ccc2c(c1)OCC[C@@H]2O 115259274 572612831 /nfs/dbraw/zinc/61/28/31/572612831.db2.gz NBKFYEQQVCUQGJ-QMMMGPOBSA-N 0 0 166.176 1.208 10 0 ADAERN Cc1nocc1-c1oncc1C=O 74306771 572612838 /nfs/dbraw/zinc/61/28/38/572612838.db2.gz NNUUDJMNSDDXKV-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN Cc1ccnc(N)c1-c1cnn(C)c1 69942644 572612839 /nfs/dbraw/zinc/61/28/39/572612839.db2.gz WUBKFKWJNKZBEF-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1oncc1-c1oncc1C=O 74306712 572612877 /nfs/dbraw/zinc/61/28/77/572612877.db2.gz JMVFPABYAXXYJA-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN Nc1cc2nc(CC3CC3)oc2o1 74306527 572612856 /nfs/dbraw/zinc/61/28/56/572612856.db2.gz FMFAUZFNQKMVHI-UHFFFAOYSA-N 0 0 178.191 1.956 10 0 ADAERN C[C@@H]1CCCCC[N@@H+]1C/C=C/C(=O)[O-] 69945240 572612872 /nfs/dbraw/zinc/61/28/72/572612872.db2.gz RKHKXIGRVVGCGA-BREXMAIKSA-N 0 0 197.278 1.892 10 0 ADAERN NN1CCCC[C@H]1c1ccccn1 74306974 572612888 /nfs/dbraw/zinc/61/28/88/572612888.db2.gz FUYHZITZISRTPZ-JTQLQIEISA-N 0 0 177.251 1.482 10 0 ADAERN Cc1cnc(N)c([C@@](C)(O)C2CC2)c1 69942760 572612979 /nfs/dbraw/zinc/61/29/79/572612979.db2.gz FHUUCWMJHAHZOM-NSHDSACASA-N 0 0 192.262 1.590 10 0 ADAERN COC(=O)[C@@H](F)[C@H](N)c1ccccc1 238360877 572612987 /nfs/dbraw/zinc/61/29/87/572612987.db2.gz WZPATWJWGSJYLU-DTWKUNHWSA-N 0 0 197.209 1.198 10 0 ADAERN COc1nccc2oc(C=O)nc12 74306702 572613045 /nfs/dbraw/zinc/61/30/45/572613045.db2.gz JJSYPFSEEXANDF-UHFFFAOYSA-N 0 0 178.147 1.044 10 0 ADAERN CC(C)c1[nH][nH]c2ncc(C=O)c1-2 74307404 572613058 /nfs/dbraw/zinc/61/30/58/572613058.db2.gz ZQQFAKZUIWALKV-UHFFFAOYSA-N 0 0 177.207 1.827 10 0 ADAERN CCCC(=O)c1cc(C)cnc1N 69942909 572613092 /nfs/dbraw/zinc/61/30/92/572613092.db2.gz BSHZWOYKGSZZDW-UHFFFAOYSA-N 0 0 178.235 1.955 10 0 ADAERN O=Cc1ccc(-c2cncs2)[nH]1 74306227 572613107 /nfs/dbraw/zinc/61/31/07/572613107.db2.gz BXWBBUNGZNQVKZ-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN Cc1nc(C)c(-c2n[nH]cc2N)o1 74306399 572613112 /nfs/dbraw/zinc/61/31/12/572613112.db2.gz XTYSLFVAAQGACL-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN Nc1ccsc1-c1ccncn1 74307139 572613124 /nfs/dbraw/zinc/61/31/24/572613124.db2.gz XAHBXSDJKXBSDY-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN CC1(C)CCc2ncnc(N)c2C1 74306945 572613159 /nfs/dbraw/zinc/61/31/59/572613159.db2.gz HNHSVYVBXVBJCN-UHFFFAOYSA-N 0 0 177.251 1.574 10 0 ADAERN CCOc1ccc(N)c2c1OCC2=O 714110590 572613170 /nfs/dbraw/zinc/61/31/70/572613170.db2.gz XBDDPOIYZLODHB-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN NN1CCCC[C@@H]1c1ccncc1 74306978 572613288 /nfs/dbraw/zinc/61/32/88/572613288.db2.gz XUXQYXHWGABLSO-SNVBAGLBSA-N 0 0 177.251 1.482 10 0 ADAERN Nc1cc2oc(CC3CC3)nc2o1 74306528 572613291 /nfs/dbraw/zinc/61/32/91/572613291.db2.gz RNCCTWFOXIAWGQ-UHFFFAOYSA-N 0 0 178.191 1.956 10 0 ADAERN O[C@@H]1CCc2c([nH]c3c2CCC3)C1 74306997 572613306 /nfs/dbraw/zinc/61/33/06/572613306.db2.gz ZBNAAKIHZLAOPP-SSDOTTSWSA-N 0 0 177.247 1.353 10 0 ADAERN Cc1nc(-n2ccnc2C)oc1N 74306400 572613357 /nfs/dbraw/zinc/61/33/57/572613357.db2.gz JUACALPHZKFWNS-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN Cc1ncc(-c2ncc(C=O)o2)o1 74306734 572613393 /nfs/dbraw/zinc/61/33/93/572613393.db2.gz ZSWDRQLCTHDNBM-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN O=Cc1nccn1-c1cccs1 74306226 572613408 /nfs/dbraw/zinc/61/34/08/572613408.db2.gz PETSVXFPRBRQMF-UHFFFAOYSA-N 0 0 178.216 1.746 10 0 ADAERN CSC[C@H](O)c1c(C)ccnc1N 69942130 572613411 /nfs/dbraw/zinc/61/34/11/572613411.db2.gz ZCORYONBIQSEAN-ZETCQYMHSA-N 0 0 198.291 1.369 10 0 ADAERN Cc1nc(N)c2c(n1)CC[C@H](C)C2 74306948 572613412 /nfs/dbraw/zinc/61/34/12/572613412.db2.gz POKXPSTWPXRNFT-LURJTMIESA-N 0 0 177.251 1.492 10 0 ADAERN COCCOCc1cccc(O)c1 238359259 572613446 /nfs/dbraw/zinc/61/34/46/572613446.db2.gz PACPYNAQEKGKPK-UHFFFAOYSA-N 0 0 182.219 1.555 10 0 ADAERN Cc1cc(C)n(-c2ncc(N)o2)n1 74306429 572613499 /nfs/dbraw/zinc/61/34/99/572613499.db2.gz XZAVQEZFELMWTO-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN CC[C@@H]1[C@@H](C)C[C@@H](C(=O)[O-])[N@@H+]1C 251703972 572613505 /nfs/dbraw/zinc/61/35/05/572613505.db2.gz QURUQUPHONVUCD-RNJXMRFFSA-N 0 0 171.240 1.190 10 0 ADAERN CCn1c(C)nc2cc(C=O)oc21 74306538 572613515 /nfs/dbraw/zinc/61/35/15/572613515.db2.gz VDZXZWDYEZTZSQ-UHFFFAOYSA-N 0 0 178.191 1.770 10 0 ADAERN O=Cc1sccc1-c1cn[nH]c1 74306217 572613532 /nfs/dbraw/zinc/61/35/32/572613532.db2.gz YDEHKNJPTUOBCW-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN O=c1cc(CO)occ1-c1ccoc1 140893309 572613586 /nfs/dbraw/zinc/61/35/86/572613586.db2.gz ZXIGNXAUCDYKAK-UHFFFAOYSA-N 0 0 192.170 1.392 10 0 ADAERN C[C@H](N)c1nc2ccc(O)cc2o1 74306533 572613628 /nfs/dbraw/zinc/61/36/28/572613628.db2.gz TYLSJLHYLOAPIM-YFKPBYRVSA-N 0 0 178.191 1.553 10 0 ADAERN CCCCNC(C)=CC(=O)OC 115330650 572613635 /nfs/dbraw/zinc/61/36/35/572613635.db2.gz QONKHXPWWCSDJB-BQYQJAHWSA-N 0 0 171.240 1.453 10 0 ADAERN Nc1ccsc1-c1cccnn1 74307137 572613659 /nfs/dbraw/zinc/61/36/59/572613659.db2.gz BXDCEOGZJOOTGH-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cncnc1-c1ccns1 74306208 572613694 /nfs/dbraw/zinc/61/36/94/572613694.db2.gz RCJCMFSAKOYNSA-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1cc(CC(=O)C2CC2)ccn1 69942038 572613706 /nfs/dbraw/zinc/61/37/06/572613706.db2.gz WDEKPBGHDXBTQW-UHFFFAOYSA-N 0 0 176.219 1.185 10 0 ADAERN CN(C)c1cccc2c1C(=O)CO2 714112060 572613782 /nfs/dbraw/zinc/61/37/82/572613782.db2.gz LGZCQIQIJJCVFV-UHFFFAOYSA-N 0 0 177.203 1.328 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CCCCC[C@H]1O 379487610 572613799 /nfs/dbraw/zinc/61/37/99/572613799.db2.gz VVMJGJYLECXJOI-GVYMFJGESA-N 0 0 197.278 1.372 10 0 ADAERN O=CC(=O)Nc1ccc2ccccc2c1 115296005 572613849 /nfs/dbraw/zinc/61/38/49/572613849.db2.gz XFTSXJOCQJPRPU-UHFFFAOYSA-N 0 0 199.209 1.977 10 0 ADAERN NCc1ncc(Cc2ccco2)o1 74306542 572613859 /nfs/dbraw/zinc/61/38/59/572613859.db2.gz HIWPTHNWHCWPGL-UHFFFAOYSA-N 0 0 178.191 1.317 10 0 ADAERN Cc1oncc1-c1ocnc1C=O 74306727 572614079 /nfs/dbraw/zinc/61/40/79/572614079.db2.gz KAXTZANZUOFHOB-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN Nc1cnncc1-c1nccs1 74306197 572613938 /nfs/dbraw/zinc/61/39/38/572613938.db2.gz YIIFPBOZKFTNHZ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCCNC(=O)CCC(=O)CC 115388111 572614001 /nfs/dbraw/zinc/61/40/01/572614001.db2.gz MSUCDYRMTGOXDK-UHFFFAOYSA-N 0 0 171.240 1.272 10 0 ADAERN Nc1cnsc1-c1cccnn1 74306200 572614004 /nfs/dbraw/zinc/61/40/04/572614004.db2.gz UFTHGICJTGDCFF-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN COc1cc2c(cc1F)C(=O)CO2 714112095 572614006 /nfs/dbraw/zinc/61/40/06/572614006.db2.gz NLECTJDKVUUKTC-UHFFFAOYSA-N 0 0 182.150 1.409 10 0 ADAERN Nc1nnsc1-c1cccnc1 74306209 572614012 /nfs/dbraw/zinc/61/40/12/572614012.db2.gz FWHIPBUTFJSUEW-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN COc1ccc(/C(=C/CO)CO)cc1 238361182 572614025 /nfs/dbraw/zinc/61/40/25/572614025.db2.gz XDDOKVCDVYJBAX-UXBLZVDNSA-N 0 0 194.230 1.063 10 0 ADAERN CC[C@](C)(O)Cc1cccnc1N 69943808 572614038 /nfs/dbraw/zinc/61/40/38/572614038.db2.gz AWJZRTGTZHCOCA-JTQLQIEISA-N 0 0 180.251 1.367 10 0 ADAERN Cc1ncc(-c2oncc2C=O)o1 74306711 572614046 /nfs/dbraw/zinc/61/40/46/572614046.db2.gz JBAHHYOAXXURNX-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN Cc1cc(C)c2c(n1)C[C@H](O)CC2 74307002 572614050 /nfs/dbraw/zinc/61/40/50/572614050.db2.gz BDQNOCXRDBCKEL-SECBINFHSA-N 0 0 177.247 1.548 10 0 ADAERN Cc1cnc(-n2cc(N)nc2C)o1 74306386 572614054 /nfs/dbraw/zinc/61/40/54/572614054.db2.gz QZJDLUVKICFRKU-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN CC(C)c1[nH][nH]c2cc(C=O)nc1-2 74307401 572614125 /nfs/dbraw/zinc/61/41/25/572614125.db2.gz FPUHBRVDCBGPBO-UHFFFAOYSA-N 0 0 177.207 1.827 10 0 ADAERN Nc1ncccc1[C@H]([NH3+])c1ccoc1 69946542 572614138 /nfs/dbraw/zinc/61/41/38/572614138.db2.gz WIXPWPURAZOBBE-SECBINFHSA-N 0 0 189.218 1.305 10 0 ADAERN CC(C)c1cn2cc(C=O)oc2n1 74306560 572614166 /nfs/dbraw/zinc/61/41/66/572614166.db2.gz BZGFCPJWZWXTFE-UHFFFAOYSA-N 0 0 178.191 1.863 10 0 ADAERN O=Cc1cc2c(o1)[C@H](C1CC1)CO2 74306634 572614201 /nfs/dbraw/zinc/61/42/01/572614201.db2.gz XCATWYXXILOREI-QMMMGPOBSA-N 0 0 178.187 1.978 10 0 ADAERN Cc1cc2nc(C=O)sc2cn1 74306213 572614205 /nfs/dbraw/zinc/61/42/05/572614205.db2.gz JIBLBJHIAAKSOK-UHFFFAOYSA-N 0 0 178.216 1.812 10 0 ADAERN Cn1cc(C[C@@H]([NH3+])c2ccoc2)cn1 69946441 572614218 /nfs/dbraw/zinc/61/42/18/572614218.db2.gz QQOQKZRCBLJNJS-SNVBAGLBSA-N 0 0 191.234 1.256 10 0 ADAERN Cc1coc(-n2cc(N)nc2C)n1 74306385 572614224 /nfs/dbraw/zinc/61/42/24/572614224.db2.gz FVXPGCJLYWVPRD-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN COC(C)(C)CCNc1cn[nH]c1 234575633 572614228 /nfs/dbraw/zinc/61/42/28/572614228.db2.gz VRVXZMQTDTWEPJ-UHFFFAOYSA-N 0 0 183.255 1.637 10 0 ADAERN Cc1nc(-n2nccc2C)oc1N 74306426 572614254 /nfs/dbraw/zinc/61/42/54/572614254.db2.gz SXPMFRWKUHUNAZ-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN Cc1[nH]nc(-c2oncc2N)c1C 74306372 572614266 /nfs/dbraw/zinc/61/42/66/572614266.db2.gz AICMNXSDZWIGAH-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN CCCn1cnc2cc(C=O)oc21 74306534 572614279 /nfs/dbraw/zinc/61/42/79/572614279.db2.gz FBZNFDCIVMJVMV-UHFFFAOYSA-N 0 0 178.191 1.852 10 0 ADAERN CC[C@H](N)c1nc2ccnnc2o1 74306345 572614300 /nfs/dbraw/zinc/61/43/00/572614300.db2.gz WBCLRXQRJGVJFR-YFKPBYRVSA-N 0 0 178.195 1.028 10 0 ADAERN Cc1nc(CN)oc1-c1ccco1 74306517 572614347 /nfs/dbraw/zinc/61/43/47/572614347.db2.gz OYAKXQXDQKDARL-UHFFFAOYSA-N 0 0 178.191 1.702 10 0 ADAERN CCc1oncc1-c1n[nH]cc1N 74306392 572614354 /nfs/dbraw/zinc/61/43/54/572614354.db2.gz MHDWXTZMBSCZTB-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN OCC[C@@H]1CNc2ccccc2O1 140890335 572614359 /nfs/dbraw/zinc/61/43/59/572614359.db2.gz GXQXVEVIMJXNLK-MRVPVSSYSA-N 0 0 179.219 1.242 10 0 ADAERN Cc1noc(C)c1-c1n[nH]cc1N 74306390 572614360 /nfs/dbraw/zinc/61/43/60/572614360.db2.gz DXGWFQOELLWKFC-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN C[NH2+][C@@H](c1cnnn1C)[C@@H]1CC1(C)C 234502266 572614379 /nfs/dbraw/zinc/61/43/79/572614379.db2.gz LWGNRFVXOCIIDC-IONNQARKSA-N 0 0 194.282 1.122 10 0 ADAERN COc1c(N)ccc2c1C(=O)CCC2 714112000 572614385 /nfs/dbraw/zinc/61/43/85/572614385.db2.gz BUOYKVCQHYJAJV-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN C[C@H]1CCCCC[N@@H+]1C/C=C/C(=O)[O-] 69945241 572614424 /nfs/dbraw/zinc/61/44/24/572614424.db2.gz RKHKXIGRVVGCGA-STUBTGCMSA-N 0 0 197.278 1.892 10 0 ADAERN O=C(CC1CC1)OCC(F)(F)F 308074979 572614446 /nfs/dbraw/zinc/61/44/46/572614446.db2.gz DXRQWGUREOHFMU-UHFFFAOYSA-N 0 0 182.141 1.892 10 0 ADAERN CC(C)n1nc2ccc(O)cc2n1 251704952 572614543 /nfs/dbraw/zinc/61/45/43/572614543.db2.gz XSYVQMGLKHNBIO-UHFFFAOYSA-N 0 0 177.207 1.718 10 0 ADAERN OCC[C@H]1CNc2ccccc2O1 140890140 572614555 /nfs/dbraw/zinc/61/45/55/572614555.db2.gz GXQXVEVIMJXNLK-QMMMGPOBSA-N 0 0 179.219 1.242 10 0 ADAERN COCOc1cccnc1C(C)=O 238360495 572617612 /nfs/dbraw/zinc/61/76/12/572617612.db2.gz GNBFNEPCYPERMW-UHFFFAOYSA-N 0 0 181.191 1.267 10 0 ADAERN COCCOc1cc(O)ccc1OC 238361172 572614566 /nfs/dbraw/zinc/61/45/66/572614566.db2.gz ZZDMZYNIIZGTGF-UHFFFAOYSA-N 0 0 198.218 1.426 10 0 ADAERN C[C@@](O)(Cc1cccnc1N)C1CC1 69943815 572614580 /nfs/dbraw/zinc/61/45/80/572614580.db2.gz VSQDBKAABKRDLU-LLVKDONJSA-N 0 0 192.262 1.367 10 0 ADAERN COCCC[C@H](O)c1ccoc1 69946279 572614592 /nfs/dbraw/zinc/61/45/92/572614592.db2.gz LFEPWUWEGOSRSC-VIFPVBQESA-N 0 0 170.208 1.740 10 0 ADAERN Cc1ncc(-c2cc(C=O)no2)o1 74306763 572614596 /nfs/dbraw/zinc/61/45/96/572614596.db2.gz HOWGFHFYPQDFIC-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN COC(=O)[C@@H](F)[C@@H](N)c1ccccc1 238360797 572614599 /nfs/dbraw/zinc/61/45/99/572614599.db2.gz WZPATWJWGSJYLU-IUCAKERBSA-N 0 0 197.209 1.198 10 0 ADAERN c1cc(OC2COC2)c2cc[nH]c2c1 140891099 572614611 /nfs/dbraw/zinc/61/46/11/572614611.db2.gz XGRNWGIIZDAWIR-UHFFFAOYSA-N 0 0 189.214 1.946 10 0 ADAERN Cn1cnc([C@@H](CCC2CC2)NN)c1 236090963 572615046 /nfs/dbraw/zinc/61/50/46/572615046.db2.gz QDEIDKMCVQFUJC-SECBINFHSA-N 0 0 194.282 1.115 10 0 ADAERN C[C@@H]1Nc2ccc(O)cc2NC1=O 74306499 572614647 /nfs/dbraw/zinc/61/46/47/572614647.db2.gz BIHOKENBBCLZKH-YFKPBYRVSA-N 0 0 178.191 1.145 10 0 ADAERN Cc1onc(-c2n[nH]cc2N)c1C 74306388 572614657 /nfs/dbraw/zinc/61/46/57/572614657.db2.gz WSFWZSSJGUDFGK-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN Cc1coc(-c2cc(C=O)no2)n1 74306759 572614667 /nfs/dbraw/zinc/61/46/67/572614667.db2.gz GIKPXFABOSISNA-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN Nc1cnncc1-c1ccns1 74306196 572614693 /nfs/dbraw/zinc/61/46/93/572614693.db2.gz IFCNJROWXOLKHA-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CC(C)(C)C(=O)Cc1ccnc(N)c1 69942040 572614734 /nfs/dbraw/zinc/61/47/34/572614734.db2.gz BTTICQLBDIRBLO-UHFFFAOYSA-N 0 0 192.262 1.822 10 0 ADAERN NN1CCCC[C@H]1c1ccncc1 74306976 572614737 /nfs/dbraw/zinc/61/47/37/572614737.db2.gz XUXQYXHWGABLSO-JTQLQIEISA-N 0 0 177.251 1.482 10 0 ADAERN Cc1ccnc(N)c1-c1nccn1C 69942735 572614744 /nfs/dbraw/zinc/61/47/44/572614744.db2.gz OMWJHZKKKRNGHW-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@](O)(Cc1cccnc1N)C1CC1 69943817 572614757 /nfs/dbraw/zinc/61/47/57/572614757.db2.gz VSQDBKAABKRDLU-NSHDSACASA-N 0 0 192.262 1.367 10 0 ADAERN Cn1cnc(C(=O)CCC2CC2)c1 236090892 572614762 /nfs/dbraw/zinc/61/47/62/572614762.db2.gz QGIBRNWBURXZCS-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN Cc1nc(N)oc1-n1nccc1C 74306428 572614784 /nfs/dbraw/zinc/61/47/84/572614784.db2.gz GMYWTFLMYCJELZ-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN Cc1ccn(-c2nc(C)c(N)o2)n1 74306464 572614791 /nfs/dbraw/zinc/61/47/91/572614791.db2.gz CMUVBJYKVMTENA-UHFFFAOYSA-N 0 0 178.195 1.059 10 0 ADAERN O=C1CCCc2cc(CO)c(O)cc21 714112072 572614810 /nfs/dbraw/zinc/61/48/10/572614810.db2.gz LSOFJNJBPFZRAV-UHFFFAOYSA-N 0 0 192.214 1.404 10 0 ADAERN NN1CCCC[C@@H]1c1ccccn1 74306975 572614817 /nfs/dbraw/zinc/61/48/17/572614817.db2.gz FUYHZITZISRTPZ-SNVBAGLBSA-N 0 0 177.251 1.482 10 0 ADAERN COCC1CCOCC1 115333827 572614832 /nfs/dbraw/zinc/61/48/32/572614832.db2.gz GPZUVOTUJWKLNB-UHFFFAOYSA-N 0 0 130.187 1.059 10 0 ADAERN O=Cc1sccc1-c1cc[nH]n1 74306219 572614833 /nfs/dbraw/zinc/61/48/33/572614833.db2.gz XZGPCPQFRCCCRG-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN CSC[C@@H](O)c1c(C)ccnc1N 69942128 572614855 /nfs/dbraw/zinc/61/48/55/572614855.db2.gz ZCORYONBIQSEAN-SSDOTTSWSA-N 0 0 198.291 1.369 10 0 ADAERN O=Cc1sccc1-c1c[nH]cn1 74306216 572615060 /nfs/dbraw/zinc/61/50/60/572615060.db2.gz CISRLJCSRQPEQE-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN C[C@H](N)c1nc(-c2cc[nH]c2)no1 74306421 572614898 /nfs/dbraw/zinc/61/48/98/572614898.db2.gz KTXHXELYWFIHGC-YFKPBYRVSA-N 0 0 178.195 1.084 10 0 ADAERN Cc1coc(-c2ncc(C=O)o2)n1 74306739 572614910 /nfs/dbraw/zinc/61/49/10/572614910.db2.gz JOAUYXQTPIXVJN-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CCc1nc(N)nc(-c2ccoc2)n1 69947466 572615062 /nfs/dbraw/zinc/61/50/62/572615062.db2.gz JJMQFXAYAVCLMG-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN Nc1cnccc1-c1nccs1 74307129 572614928 /nfs/dbraw/zinc/61/49/28/572614928.db2.gz NEGPOSCGIKOFDT-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnncc1-c1cccs1 74307132 572614943 /nfs/dbraw/zinc/61/49/43/572614943.db2.gz LAVVFCITWSZSSX-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN CC(=O)OCSc1nccn1C 308075202 572614945 /nfs/dbraw/zinc/61/49/45/572614945.db2.gz DDWJHQYUZTTXGF-UHFFFAOYSA-N 0 0 186.236 1.033 10 0 ADAERN Cc1nc(-c2oncc2N)c(C)[nH]1 74306375 572615077 /nfs/dbraw/zinc/61/50/77/572615077.db2.gz UETBKVFCSLEBFM-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1C[C@H]2CCCC[N@@H+]2C1 251700790 572615078 /nfs/dbraw/zinc/61/50/78/572615078.db2.gz XIBCPHAVUPKEMO-LPEHRKFASA-N 0 0 197.278 1.582 10 0 ADAERN COC/C=C/[C@@H](O)c1ccccc1 238358068 572615105 /nfs/dbraw/zinc/61/51/05/572615105.db2.gz UFEHTYYOXLGYKQ-AYLMVEPYSA-N 0 0 178.231 1.923 10 0 ADAERN COc1c(F)ccc2c1OCC2=O 714112045 572615138 /nfs/dbraw/zinc/61/51/38/572615138.db2.gz JGDIVGINRZZGGV-UHFFFAOYSA-N 0 0 182.150 1.409 10 0 ADAERN CCC(O)(CC)c1cc(C)cnc1N 69942754 572615162 /nfs/dbraw/zinc/61/51/62/572615162.db2.gz DYQDBGRUQUCFNM-UHFFFAOYSA-N 0 0 194.278 1.980 10 0 ADAERN C=CC(=O)O[C@H](O)CCCC 115286663 572615220 /nfs/dbraw/zinc/61/52/20/572615220.db2.gz MIYFFZILCMZNRY-QMMMGPOBSA-N 0 0 158.197 1.224 10 0 ADAERN CCOC(=O)C=Cc1c[nH]c(F)n1 308075541 572615323 /nfs/dbraw/zinc/61/53/23/572615323.db2.gz KMFWBFLKVWNMOU-ONEGZZNKSA-N 0 0 184.170 1.125 10 0 ADAERN COC(=O)CCc1cccc(F)c1O 238359297 572615324 /nfs/dbraw/zinc/61/53/24/572615324.db2.gz SLGLZRGJVWITCV-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN COCOc1cc(C=O)cc(OC)c1 238358147 572615368 /nfs/dbraw/zinc/61/53/68/572615368.db2.gz NZBRKEZOJBOJJV-UHFFFAOYSA-N 0 0 196.202 1.490 10 0 ADAERN CC[C@H](CCO)C(F)(F)F 115301204 572615400 /nfs/dbraw/zinc/61/54/00/572615400.db2.gz LVMNTKBUAJXTIX-RXMQYKEDSA-N 0 0 156.147 1.957 10 0 ADAERN Cn1cnc(CNCC(F)(F)F)c1 236087771 572615494 /nfs/dbraw/zinc/61/54/94/572615494.db2.gz DVGKVTFKFZPSPN-UHFFFAOYSA-N 0 0 193.172 1.072 10 0 ADAERN COC(=O)Cn1ccc(CC(C)C)c1 115296519 572615593 /nfs/dbraw/zinc/61/55/93/572615593.db2.gz YHVSXJSKKOPYDW-UHFFFAOYSA-N 0 0 195.262 1.860 10 0 ADAERN COC/C=C/[C@H](O)c1ccccc1 238358177 572615594 /nfs/dbraw/zinc/61/55/94/572615594.db2.gz UFEHTYYOXLGYKQ-BWNDKRECSA-N 0 0 178.231 1.923 10 0 ADAERN S=C1NC[C@H](C2=CCCCC2)N1 140849923 572617501 /nfs/dbraw/zinc/61/75/01/572617501.db2.gz NDPCUWRURHOLGX-MRVPVSSYSA-N 0 0 182.292 1.333 10 0 ADAERN O=Cc1ncn2nc(Cl)ccc12 107128615 572617504 /nfs/dbraw/zinc/61/75/04/572617504.db2.gz QQRCKRPJUHYHIJ-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN CC[NH2+]CC(=O)N1CCCCC[C@@H]1C 69944843 572615723 /nfs/dbraw/zinc/61/57/23/572615723.db2.gz YTQORQXLSQDRAY-JTQLQIEISA-N 0 0 198.310 1.387 10 0 ADAERN CCCCNC(C)=CC(=O)OC 115330647 572615736 /nfs/dbraw/zinc/61/57/36/572615736.db2.gz QONKHXPWWCSDJB-FPLPWBNLSA-N 0 0 171.240 1.453 10 0 ADAERN Cc1cnc(N)c(-c2nccn2C)c1 69943261 572615738 /nfs/dbraw/zinc/61/57/38/572615738.db2.gz HFZWPPYIIYDPLZ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN COC(=O)C=CNCc1ccc(C)o1 234576152 572615743 /nfs/dbraw/zinc/61/57/43/572615743.db2.gz BCTALRJEVKGOGH-AATRIKPKSA-N 0 0 195.218 1.364 10 0 ADAERN S=C1NC[C@@H](C2=CCCCC2)N1 140850081 572615754 /nfs/dbraw/zinc/61/57/54/572615754.db2.gz NDPCUWRURHOLGX-QMMMGPOBSA-N 0 0 182.292 1.333 10 0 ADAERN F[C@@H]1C=CCC1 115331360 572615770 /nfs/dbraw/zinc/61/57/70/572615770.db2.gz OPNSNMMOWIYFLI-RXMQYKEDSA-N 0 0 86.109 1.675 10 0 ADAERN COC(=O)[C@@H]1[C@@H](/C=C(/C)CO)C1(C)C 238360891 572615811 /nfs/dbraw/zinc/61/58/11/572615811.db2.gz OLTLTEYSIHCXPW-ZONUIFDKSA-N 0 0 198.262 1.370 10 0 ADAERN CCc1ccc(N)c2c1OCC2=O 714110580 572615813 /nfs/dbraw/zinc/61/58/13/572615813.db2.gz WAMJAOPGKUGTOM-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN Cc1nocc1-c1nc(N)ns1 74300996 572615833 /nfs/dbraw/zinc/61/58/33/572615833.db2.gz BBZQCZBMSZFWPF-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN C[NH2+][C@H](c1cncnc1)c1ccoc1 69946765 572615865 /nfs/dbraw/zinc/61/58/65/572615865.db2.gz DYXVJLKWLBNSNB-JTQLQIEISA-N 0 0 189.218 1.378 10 0 ADAERN COc1ccc2c(c1F)OCC2=O 714112109 572615869 /nfs/dbraw/zinc/61/58/69/572615869.db2.gz OTFHLSGNTYTMNK-UHFFFAOYSA-N 0 0 182.150 1.409 10 0 ADAERN Cc1c(N)sc2nc(C=O)oc12 74301043 572617513 /nfs/dbraw/zinc/61/75/13/572617513.db2.gz YYJLFPHNIMIPFX-UHFFFAOYSA-N 0 0 182.204 1.592 10 0 ADAERN COc1cc(C(C)=O)ccc1O 238358086 572615891 /nfs/dbraw/zinc/61/58/91/572615891.db2.gz LVVNAZLLSMMYCU-UHFFFAOYSA-N 0 0 166.176 1.930 10 0 ADAERN [NH3+][C@@H]1CCCC[C@@H]1c1cc(=O)[n-]o1 74300947 572617518 /nfs/dbraw/zinc/61/75/18/572617518.db2.gz HHPWDGXSSJKFSS-NKWVEPMBSA-N 0 0 182.223 1.365 10 0 ADAERN C[NH2+][C@H](C)c1nc(-c2ccoc2)no1 69945994 572615986 /nfs/dbraw/zinc/61/59/86/572615986.db2.gz MQFJOKKBJCLXIA-ZCFIWIBFSA-N 0 0 193.206 1.610 10 0 ADAERN Cc1ncc(-c2nsc(N)n2)o1 74301000 572615992 /nfs/dbraw/zinc/61/59/92/572615992.db2.gz UJHHTXRQUBIRAC-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN C[NH2+][C@@H](c1cncnc1)c1ccoc1 69946767 572616029 /nfs/dbraw/zinc/61/60/29/572616029.db2.gz DYXVJLKWLBNSNB-SNVBAGLBSA-N 0 0 189.218 1.378 10 0 ADAERN COC1(CC(=O)CSC)CCC1 234576027 572616077 /nfs/dbraw/zinc/61/60/77/572616077.db2.gz OTPUMIMBHBAMKE-UHFFFAOYSA-N 0 0 188.292 1.878 10 0 ADAERN Cc1cnc(-c2nsc(N)n2)o1 74301003 572616097 /nfs/dbraw/zinc/61/60/97/572616097.db2.gz SIDLVOPGJOYVJP-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CCc1nc(N)nc2c1CCS2 74301623 572616106 /nfs/dbraw/zinc/61/61/06/572616106.db2.gz DXNOCHJCNCJSKA-UHFFFAOYSA-N 0 0 181.264 1.269 10 0 ADAERN C[C@H](N)c1nc2cccc(N)c2o1 74307410 572616116 /nfs/dbraw/zinc/61/61/16/572616116.db2.gz NEJROUZFOSWQRR-YFKPBYRVSA-N 0 0 177.207 1.430 10 0 ADAERN Cc1ccc2cc(N)c(=O)oc2c1 140881348 572616142 /nfs/dbraw/zinc/61/61/42/572616142.db2.gz JBFMEGFXALXZAO-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN NCC(=O)c1nc2cocc2s1 74301028 572616146 /nfs/dbraw/zinc/61/61/46/572616146.db2.gz DGQFKNDBSGIXFC-UHFFFAOYSA-N 0 0 182.204 1.031 10 0 ADAERN Cn1cnc([C@@H](CC2CCC2)NN)c1 236090882 572616211 /nfs/dbraw/zinc/61/62/11/572616211.db2.gz GHOGNLOCHPUIDZ-SECBINFHSA-N 0 0 194.282 1.115 10 0 ADAERN Cc1cnc([C@H]2NCCCS2)n1C 713419482 572616220 /nfs/dbraw/zinc/61/62/20/572616220.db2.gz CLHMYDYFSMVJDF-VIFPVBQESA-N 0 0 197.307 1.454 10 0 ADAERN Cc1oc2nc(C=O)sc2c1N 74301040 572616235 /nfs/dbraw/zinc/61/62/35/572616235.db2.gz KPJUZUQACYPCQH-UHFFFAOYSA-N 0 0 182.204 1.592 10 0 ADAERN OC[C@H]1COc2ccc(F)cc21 140890023 572616259 /nfs/dbraw/zinc/61/62/59/572616259.db2.gz CIWZXJOBXQEOJK-LURJTMIESA-N 0 0 168.167 1.294 10 0 ADAERN CCn1nc(C)c2cc(N)ccc21 115372574 572617533 /nfs/dbraw/zinc/61/75/33/572617533.db2.gz QUPMHSUTEHRTJJ-UHFFFAOYSA-N 0 0 175.235 1.947 10 0 ADAERN NN1CCCC[C@H]1CC(F)(F)F 74301064 572616328 /nfs/dbraw/zinc/61/63/28/572616328.db2.gz KHLQEKCUFGUPKS-LURJTMIESA-N 0 0 182.189 1.667 10 0 ADAERN Cc1nocc1-c1nsc(N)n1 74300999 572616349 /nfs/dbraw/zinc/61/63/49/572616349.db2.gz MFZJMOILROJPOO-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CN1CCCc2c1csc2C=O 74301681 572616452 /nfs/dbraw/zinc/61/64/52/572616452.db2.gz KIAXFYQMCGLBNC-UHFFFAOYSA-N 0 0 181.260 1.943 10 0 ADAERN Cc1sc2nc(C)n(C)c2c1N 74301600 572616457 /nfs/dbraw/zinc/61/64/57/572616457.db2.gz VJGRCRBMBPMFSP-UHFFFAOYSA-N 0 0 181.264 1.834 10 0 ADAERN CC[C@@H](CCO)C(F)(F)F 115301203 572616481 /nfs/dbraw/zinc/61/64/81/572616481.db2.gz LVMNTKBUAJXTIX-YFKPBYRVSA-N 0 0 156.147 1.957 10 0 ADAERN CCCC[C@@H]1[C@H](CO)[C@@H]1[C@@H](C)O 308075725 572616492 /nfs/dbraw/zinc/61/64/92/572616492.db2.gz DFVGEZONKZXLFH-DOLQZWNJSA-N 0 0 172.268 1.412 10 0 ADAERN Cc1nc(N)c2c(n1)CCCS2 74301642 572616514 /nfs/dbraw/zinc/61/65/14/572616514.db2.gz OPLBJDIAOKDIJA-UHFFFAOYSA-N 0 0 181.264 1.406 10 0 ADAERN Cc1coc(-c2nsc(N)n2)n1 74301002 572616519 /nfs/dbraw/zinc/61/65/19/572616519.db2.gz MYFLBBWVPNRZQE-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN O=C1CCC(COCCF)CC1 115310549 572616520 /nfs/dbraw/zinc/61/65/20/572616520.db2.gz MEXHQBBWEJAOKJ-UHFFFAOYSA-N 0 0 174.215 1.732 10 0 ADAERN FCCCCN1CCO[C@H]2C[C@H]21 308075839 572616524 /nfs/dbraw/zinc/61/65/24/572616524.db2.gz CVFWWQZEJAKGLN-BDAKNGLRSA-N 0 0 173.231 1.209 10 0 ADAERN Cc1nsc(-c2oncc2N)n1 74300987 572616530 /nfs/dbraw/zinc/61/65/30/572616530.db2.gz AJNVPWMFPYRYIF-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1nnc(-c2ncsc2N)o1 74300988 572616550 /nfs/dbraw/zinc/61/65/50/572616550.db2.gz DDGHLXDQCMCGCU-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1sc2oc(C=O)nc2c1N 74301044 572616566 /nfs/dbraw/zinc/61/65/66/572616566.db2.gz IKSPWADKTHXZGM-UHFFFAOYSA-N 0 0 182.204 1.592 10 0 ADAERN COC(=O)[C@H](C)Cc1cccc(O)c1 72232948 572616579 /nfs/dbraw/zinc/61/65/79/572616579.db2.gz KGTOUEUBOKQCQN-MRVPVSSYSA-N 0 0 194.230 1.744 10 0 ADAERN CN1CCc2c(csc2C=O)C1 74301685 572616580 /nfs/dbraw/zinc/61/65/80/572616580.db2.gz YPWUYSPFDSJNAA-UHFFFAOYSA-N 0 0 181.260 1.549 10 0 ADAERN NN1CCCC[C@@H]1CC(F)(F)F 74301065 572616598 /nfs/dbraw/zinc/61/65/98/572616598.db2.gz KHLQEKCUFGUPKS-ZCFIWIBFSA-N 0 0 182.189 1.667 10 0 ADAERN Cc1cc(-c2nsc(N)n2)no1 74300998 572616602 /nfs/dbraw/zinc/61/66/02/572616602.db2.gz VRWBJEQECHRTAI-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CN1CCCc2csc(C=O)c21 74301676 572616604 /nfs/dbraw/zinc/61/66/04/572616604.db2.gz QCEPXBRGYBOITM-UHFFFAOYSA-N 0 0 181.260 1.943 10 0 ADAERN CCCC(=O)Oc1ccccc1N 115367618 572616611 /nfs/dbraw/zinc/61/66/11/572616611.db2.gz HKDXWGXBFROANX-UHFFFAOYSA-N 0 0 179.219 1.974 10 0 ADAERN Cc1c(N)sc2oc(C=O)nc12 74301046 572616617 /nfs/dbraw/zinc/61/66/17/572616617.db2.gz SCZHJINHFAQNRA-UHFFFAOYSA-N 0 0 182.204 1.592 10 0 ADAERN FC(F)(CNC1CSC1)C1CC1 308075657 572616619 /nfs/dbraw/zinc/61/66/19/572616619.db2.gz FCDSTXNIVZTGJH-UHFFFAOYSA-N 0 0 193.262 1.737 10 0 ADAERN Cc1ncc(-c2nonc2N)s1 74301025 572616625 /nfs/dbraw/zinc/61/66/25/572616625.db2.gz DJILTIVIURZSAT-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Nc1ccccc1-c1cn2nccc2[nH]1 250240610 572616631 /nfs/dbraw/zinc/61/66/31/572616631.db2.gz OKPVOVFOIVQIJE-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN Nc1c(-c2cccs2)o[nH]c1=O 74301050 572616648 /nfs/dbraw/zinc/61/66/48/572616648.db2.gz MXEYSUYDMMXJHM-UHFFFAOYSA-N 0 0 182.204 1.691 10 0 ADAERN Cc1c(N)oc2nc(C=O)sc12 74301041 572616712 /nfs/dbraw/zinc/61/67/12/572616712.db2.gz COOAVAARSIOYCA-UHFFFAOYSA-N 0 0 182.204 1.592 10 0 ADAERN CC(C)(C)OC(=O)[C@](C)(F)CO 308075880 572617566 /nfs/dbraw/zinc/61/75/66/572617566.db2.gz DHXVKWWGXRTPGG-MRVPVSSYSA-N 0 0 178.203 1.049 10 0 ADAERN COC[C@H](C)CNc1nncs1 69966550 572616737 /nfs/dbraw/zinc/61/67/37/572616737.db2.gz CGRNSXAUFWQFCN-ZCFIWIBFSA-N 0 0 187.268 1.233 10 0 ADAERN C=CC(=O)O[C@@H](O)CCCC 115286666 572617572 /nfs/dbraw/zinc/61/75/72/572617572.db2.gz MIYFFZILCMZNRY-MRVPVSSYSA-N 0 0 158.197 1.224 10 0 ADAERN C[C@@H]1Cc2c(ccc(F)c2N)N1 713728459 572617573 /nfs/dbraw/zinc/61/75/73/572617573.db2.gz OWZMRLGBYDBMDX-RXMQYKEDSA-N 0 0 166.199 1.764 10 0 ADAERN CC(C)(C)C(=O)OCCCCO 115328138 572616843 /nfs/dbraw/zinc/61/68/43/572616843.db2.gz AVEHENYSRYRUHC-UHFFFAOYSA-N 0 0 174.240 1.348 10 0 ADAERN Cc1nnc(SCCCF)n1C 308075714 572616866 /nfs/dbraw/zinc/61/68/66/572616866.db2.gz CRUPSDHMIZRNFF-UHFFFAOYSA-N 0 0 189.259 1.575 10 0 ADAERN Cc1ncoc1-c1snnc1N 74301006 572616887 /nfs/dbraw/zinc/61/68/87/572616887.db2.gz CYUZQTUHSROMCY-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN COP(=O)(OC)[C@@H](C)O[C@H](C)O 238359841 572616888 /nfs/dbraw/zinc/61/68/88/572616888.db2.gz ANIDSZXAQKLHEA-RITPCOANSA-N 0 0 198.155 1.173 10 0 ADAERN Cc1ncoc1-c1nc(N)ns1 74300994 572616892 /nfs/dbraw/zinc/61/68/92/572616892.db2.gz YNANKHCWZOVNMP-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN [NH3+][C@@H]1CCCC[C@H]1c1cc(=O)[n-]o1 74300946 572616903 /nfs/dbraw/zinc/61/69/03/572616903.db2.gz HHPWDGXSSJKFSS-RNFRBKRXSA-N 0 0 182.223 1.365 10 0 ADAERN CCC(C)(C)N=[S@](N)(=O)CC 404607276 572616905 /nfs/dbraw/zinc/61/69/05/572616905.db2.gz MKVLULWFSLAOEU-NSHDSACASA-N 0 0 178.301 1.537 10 0 ADAERN CCCc1nccn1-c1nccn1C 69964947 572616910 /nfs/dbraw/zinc/61/69/10/572616910.db2.gz SJGDEWCAXMAITP-UHFFFAOYSA-N 0 0 190.250 1.558 10 0 ADAERN CCON(C)C(=O)[C@H](CC)SC 308075832 572616953 /nfs/dbraw/zinc/61/69/53/572616953.db2.gz CUKXVKKJNPVNER-ZETCQYMHSA-N 0 0 191.296 1.538 10 0 ADAERN COC(=O)[C@@H](C)Cc1cccc(O)c1 72232947 572616959 /nfs/dbraw/zinc/61/69/59/572616959.db2.gz KGTOUEUBOKQCQN-QMMMGPOBSA-N 0 0 194.230 1.744 10 0 ADAERN Cn1cnnc1C[C@](C)(O)C(C)(C)C 689745663 572616969 /nfs/dbraw/zinc/61/69/69/572616969.db2.gz PBLIUESSKZLQDI-JTQLQIEISA-N 0 0 197.282 1.155 10 0 ADAERN Cn1ccnc1CNC/C=C/Cl 236086015 572616988 /nfs/dbraw/zinc/61/69/88/572616988.db2.gz WNVQTMRVMAGLIO-NSCUHMNNSA-N 0 0 185.658 1.262 10 0 ADAERN COc1c(C)ccc2c1OCC2=O 714112134 572617043 /nfs/dbraw/zinc/61/70/43/572617043.db2.gz QUZXFCDZOZYMRL-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN O=C1N=NC(=O)c2sccc21 118287614 572617064 /nfs/dbraw/zinc/61/70/64/572617064.db2.gz NSSXUVVBLSMKOR-UHFFFAOYSA-N 0 0 166.161 1.494 10 0 ADAERN C[NH2+][C@@H](c1cncnc1)[C@@H]1CC1(C)C 234502199 572617072 /nfs/dbraw/zinc/61/70/72/572617072.db2.gz FCYOTFSCFCXGCK-UWVGGRQHSA-N 0 0 191.278 1.783 10 0 ADAERN c1nnc(NCC[C@@H]2CCCO2)s1 69966136 572617094 /nfs/dbraw/zinc/61/70/94/572617094.db2.gz AFZYULKLWKRLBY-ZETCQYMHSA-N 0 0 199.279 1.519 10 0 ADAERN CCCC[C@@H]1[C@H](CO)[C@H]1[C@@H](C)O 308075732 572617107 /nfs/dbraw/zinc/61/71/07/572617107.db2.gz DFVGEZONKZXLFH-IMSYWVGJSA-N 0 0 172.268 1.412 10 0 ADAERN COCCO[C@H](O)c1ccccc1 238360253 572617124 /nfs/dbraw/zinc/61/71/24/572617124.db2.gz LUVPZCFJBZNCCA-JTQLQIEISA-N 0 0 182.219 1.341 10 0 ADAERN Cc1csnc1-c1nonc1N 74301026 572617147 /nfs/dbraw/zinc/61/71/47/572617147.db2.gz WPXNCHMOWDHXRH-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN COC(=O)C[C@H](N)c1cc(C)co1 238359692 572617591 /nfs/dbraw/zinc/61/75/91/572617591.db2.gz RQHXCANPPKKSKW-ZETCQYMHSA-N 0 0 183.207 1.151 10 0 ADAERN COP(=O)(OC)[C@H](C)O[C@H](C)O 238360621 572617228 /nfs/dbraw/zinc/61/72/28/572617228.db2.gz ANIDSZXAQKLHEA-PHDIDXHHSA-N 0 0 198.155 1.173 10 0 ADAERN CO[C@@H](c1nccc(=S)[nH]1)C1CC1 234768964 572617240 /nfs/dbraw/zinc/61/72/40/572617240.db2.gz LMXBBYWGMJRYEL-MRVPVSSYSA-N 0 0 196.275 1.863 10 0 ADAERN Cn1cnnc1C[C@@](C)(O)C(C)(C)C 689745667 572617243 /nfs/dbraw/zinc/61/72/43/572617243.db2.gz PBLIUESSKZLQDI-SNVBAGLBSA-N 0 0 197.282 1.155 10 0 ADAERN COCC(=O)O[C@@H](C)C1CCC1 308075807 572617273 /nfs/dbraw/zinc/61/72/73/572617273.db2.gz CUEXBWJFLURWQZ-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN O=C1CCCc2ccc(O)c(CO)c21 714112409 572617275 /nfs/dbraw/zinc/61/72/75/572617275.db2.gz ZKYHVTYURRYLJK-UHFFFAOYSA-N 0 0 192.214 1.404 10 0 ADAERN Cc1cnc([C@@H]2NCCCS2)n1C 713419164 572617326 /nfs/dbraw/zinc/61/73/26/572617326.db2.gz CLHMYDYFSMVJDF-SECBINFHSA-N 0 0 197.307 1.454 10 0 ADAERN CCc1c(F)ccc2c1OCC2=O 714112286 572617351 /nfs/dbraw/zinc/61/73/51/572617351.db2.gz SUTNRPJWOPBMRQ-UHFFFAOYSA-N 0 0 180.178 1.963 10 0 ADAERN COCC(=O)O[C@H](C)C1CCC1 308075806 572617365 /nfs/dbraw/zinc/61/73/65/572617365.db2.gz CUEXBWJFLURWQZ-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN CNC(=S)N(NC(C)C)C(C)C 238360477 572617367 /nfs/dbraw/zinc/61/73/67/572617367.db2.gz LVUQPRDZGRMDFJ-UHFFFAOYSA-N 0 0 189.328 1.114 10 0 ADAERN Cc1cc(-c2nc(N)ns2)no1 74300993 572617375 /nfs/dbraw/zinc/61/73/75/572617375.db2.gz FVEFMUWXFFFCJB-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1nscc1-c1nonc1N 74301022 572617406 /nfs/dbraw/zinc/61/74/06/572617406.db2.gz FHSWRLNFMKAHGZ-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN C=COCC1CCC1 115353488 572617414 /nfs/dbraw/zinc/61/74/14/572617414.db2.gz PVVJYNFFVJNPIW-UHFFFAOYSA-N 0 0 112.172 1.947 10 0 ADAERN Cc1coc(-c2nc(N)ns2)n1 74300991 572617435 /nfs/dbraw/zinc/61/74/35/572617435.db2.gz FIODMTAFJRPVTP-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN COc1cc(F)c2c(c1)CCC(=O)C2 115328666 572617460 /nfs/dbraw/zinc/61/74/60/572617460.db2.gz GGZVFXFNKVKATO-UHFFFAOYSA-N 0 0 194.205 1.892 10 0 ADAERN COCCO[C@@H](O)c1ccccc1 238359879 572617629 /nfs/dbraw/zinc/61/76/29/572617629.db2.gz LUVPZCFJBZNCCA-SNVBAGLBSA-N 0 0 182.219 1.341 10 0 ADAERN [NH3+][C@H]1CCCC[C@H]1c1cc(=O)[n-]o1 74300943 572617630 /nfs/dbraw/zinc/61/76/30/572617630.db2.gz HHPWDGXSSJKFSS-RQJHMYQMSA-N 0 0 182.223 1.365 10 0 ADAERN Cc1ncoc1-c1nsc(N)n1 74301005 572617682 /nfs/dbraw/zinc/61/76/82/572617682.db2.gz NAEBRHFCIAOWFD-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CSc1ccc2c(c1O)OCC2=O 714112337 572617736 /nfs/dbraw/zinc/61/77/36/572617736.db2.gz WBGWTECQFAFXOX-UHFFFAOYSA-N 0 0 196.227 1.689 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CCCCC[C@@H]1O 379487614 572617762 /nfs/dbraw/zinc/61/77/62/572617762.db2.gz VVMJGJYLECXJOI-HTHZUMFQSA-N 0 0 197.278 1.372 10 0 ADAERN CCCC[C@@H]1[C@H](CO)[C@H]1[C@H](C)O 308075739 572617765 /nfs/dbraw/zinc/61/77/65/572617765.db2.gz DFVGEZONKZXLFH-JXUBOQSCSA-N 0 0 172.268 1.412 10 0 ADAERN Cc1sncc1-c1nonc1N 74301023 572617787 /nfs/dbraw/zinc/61/77/87/572617787.db2.gz PAPIMIPJJRNROX-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN COCOc1cccc(CCO)c1 238359958 572617832 /nfs/dbraw/zinc/61/78/32/572617832.db2.gz HTUCKDOIQRYQSY-UHFFFAOYSA-N 0 0 182.219 1.204 10 0 ADAERN CC(=N)c1ccc(F)cc1O 140892185 572617852 /nfs/dbraw/zinc/61/78/52/572617852.db2.gz WNLVNBIPESRHIT-UHFFFAOYSA-N 0 0 153.156 1.919 10 0 ADAERN CC(C)(C)OC(=O)[C@@](C)(F)CO 308075881 572617855 /nfs/dbraw/zinc/61/78/55/572617855.db2.gz DHXVKWWGXRTPGG-QMMMGPOBSA-N 0 0 178.203 1.049 10 0 ADAERN COP(=O)(OC)[C@H](C)O[C@@H](C)O 238360604 572617882 /nfs/dbraw/zinc/61/78/82/572617882.db2.gz ANIDSZXAQKLHEA-NTSWFWBYSA-N 0 0 198.155 1.173 10 0 ADAERN c1nnc(NCC[C@H]2CCCO2)s1 69966139 572617894 /nfs/dbraw/zinc/61/78/94/572617894.db2.gz AFZYULKLWKRLBY-SSDOTTSWSA-N 0 0 199.279 1.519 10 0 ADAERN F[C@H]1C=CCC1 115331358 572617908 /nfs/dbraw/zinc/61/79/08/572617908.db2.gz OPNSNMMOWIYFLI-YFKPBYRVSA-N 0 0 86.109 1.675 10 0 ADAERN COC(=O)C=C([O-])c1ccccc1N 72232962 572617967 /nfs/dbraw/zinc/61/79/67/572617967.db2.gz ZFQCUVIOKJPYHM-UHFFFAOYSA-N 0 0 193.202 1.015 10 0 ADAERN CCc1nc2c(N)scc2n1C 74301605 572617984 /nfs/dbraw/zinc/61/79/84/572617984.db2.gz MAQIPRWBKGCKCN-UHFFFAOYSA-N 0 0 181.264 1.779 10 0 ADAERN Cc1ccc(-c2cc(N)on2)o1 20252684 572618053 /nfs/dbraw/zinc/61/80/53/572618053.db2.gz OVSOZLOKWZKCTI-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN CCCc1nccn1[C@@H](C)C(N)=S 69964084 572618055 /nfs/dbraw/zinc/61/80/55/572618055.db2.gz AERDFLAAFPAGSB-ZETCQYMHSA-N 0 0 197.307 1.683 10 0 ADAERN CO[C@H]1CCC[C@](O)(C(C)C)C1 234771900 572619717 /nfs/dbraw/zinc/61/97/17/572619717.db2.gz BPUJCWULSIDWIW-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CCc1ccc(CC)n1CCO 238360228 572618188 /nfs/dbraw/zinc/61/81/88/572618188.db2.gz YPEDRRZUARWSNL-UHFFFAOYSA-N 0 0 167.252 1.605 10 0 ADAERN [NH3+][C@H]1CCCC[C@@H]1c1cc(=O)[n-]o1 74300944 572618190 /nfs/dbraw/zinc/61/81/90/572618190.db2.gz HHPWDGXSSJKFSS-BQBZGAKWSA-N 0 0 182.223 1.365 10 0 ADAERN O=C(OCC1=CCCC1)C(F)F 308080022 572620737 /nfs/dbraw/zinc/62/07/37/572620737.db2.gz IDMGWYXWMMMJGK-UHFFFAOYSA-N 0 0 176.162 1.905 10 0 ADAERN CSCCC(=O)[C@@H]1CCOC1 69984260 572621045 /nfs/dbraw/zinc/62/10/45/572621045.db2.gz XRYSEKDUPYZLJD-SSDOTTSWSA-N 0 0 174.265 1.345 10 0 ADAERN FCCCCN1CCO[C@@H]2C[C@@H]21 308075840 572618240 /nfs/dbraw/zinc/61/82/40/572618240.db2.gz CVFWWQZEJAKGLN-DTWKUNHWSA-N 0 0 173.231 1.209 10 0 ADAERN 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KMGSGPDETHUFNJ-KXUCPTDWSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@@H]1CC[N@H+](C2CC2)[C@H](C)[C@H]1C(=O)[O-] 251750879 572621584 /nfs/dbraw/zinc/62/15/84/572621584.db2.gz SHHMXSGIPVCPMG-MRTMQBJTSA-N 0 0 197.278 1.580 10 0 ADAERN Cc1cccc(N2C[C@@H](O)CC2=O)c1 69971617 572621599 /nfs/dbraw/zinc/62/15/99/572621599.db2.gz ADCWGCJQTZCPEN-JTQLQIEISA-N 0 0 191.230 1.093 10 0 ADAERN C[C@H]1[C@@H](C(=O)[O-])[C@H](C)CC[N@@H+]1C1CC1 251750882 572621651 /nfs/dbraw/zinc/62/16/51/572621651.db2.gz SHHMXSGIPVCPMG-WEDXCCLWSA-N 0 0 197.278 1.580 10 0 ADAERN C[C@H]1[C@H](C(=O)[O-])[C@H](C)CC[N@@H+]1C1CC1 251750877 572621662 /nfs/dbraw/zinc/62/16/62/572621662.db2.gz SHHMXSGIPVCPMG-KHQFGBGNSA-N 0 0 197.278 1.580 10 0 ADAERN COC(=O)c1cc2ncccc2n1C 72322427 572621689 /nfs/dbraw/zinc/62/16/89/572621689.db2.gz UXLFSUKKPCWFON-UHFFFAOYSA-N 0 0 190.202 1.360 10 0 ADAERN O=C1COc2c1ccc1c2CCCO1 714113189 572621702 /nfs/dbraw/zinc/62/17/02/572621702.db2.gz SQMDQXSVQFCXLQ-UHFFFAOYSA-N 0 0 190.198 1.587 10 0 ADAERN Cc1ccn([Si](C)(C)C)n1 196645975 572621703 /nfs/dbraw/zinc/62/17/03/572621703.db2.gz JEQQIUVTHSVVGK-UHFFFAOYSA-N 0 0 154.289 1.875 10 0 ADAERN O=Cc1cc(-c2ccco2)ncn1 74309367 572621734 /nfs/dbraw/zinc/62/17/34/572621734.db2.gz MXHWFCUINBIEGC-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN C[C@@H](C1CCCC1)N1C[C@H](O)CC1=O 69973293 572621741 /nfs/dbraw/zinc/62/17/41/572621741.db2.gz GZQXDVBEZSTXTO-WCBMZHEXSA-N 0 0 197.278 1.158 10 0 ADAERN O=C(OC[C@@H]1CCCS1)C1CC1 308079283 572621754 /nfs/dbraw/zinc/62/17/54/572621754.db2.gz HVSKOSXHVUUTNI-QMMMGPOBSA-N 0 0 186.276 1.835 10 0 ADAERN C[C@H]1Cc2onc(N)c2[C@@H](C)N1C 74302169 572621760 /nfs/dbraw/zinc/62/17/60/572621760.db2.gz ZIOUSEATQYCHTR-NTSWFWBYSA-N 0 0 181.239 1.194 10 0 ADAERN Cc1cc(C)c([C@@H](C)O)o1 196640790 572621823 /nfs/dbraw/zinc/62/18/23/572621823.db2.gz VTTXTTCUHZJBJD-SSDOTTSWSA-N 0 0 140.182 1.950 10 0 ADAERN O=Cc1ccc2c(c1)NC(=S)NC2 214692720 572621825 /nfs/dbraw/zinc/62/18/25/572621825.db2.gz WQTYRTYKGUEHFC-UHFFFAOYSA-N 0 0 192.243 1.299 10 0 ADAERN COC(=O)[C@@H](N)C/C=C/C=C/C(C)C 238361455 572621845 /nfs/dbraw/zinc/62/18/45/572621845.db2.gz DQVAQBYCINUMBC-RFPIMEFYSA-N 0 0 197.278 1.645 10 0 ADAERN CC(C)(C)CC1=NO[C@@H](CO)C1 69978901 572621849 /nfs/dbraw/zinc/62/18/49/572621849.db2.gz FWBLZCBMRYOWMH-MRVPVSSYSA-N 0 0 171.240 1.560 10 0 ADAERN O=Cc1ncoc1-c1ccccn1 74309374 572621879 /nfs/dbraw/zinc/62/18/79/572621879.db2.gz GOFAIWYLDHZCQF-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CCCCC1=NO[C@H](C[NH3+])C1 69978270 572622586 /nfs/dbraw/zinc/62/25/86/572622586.db2.gz UWYCGEVJAWTVLN-QMMMGPOBSA-N 0 0 156.229 1.280 10 0 ADAERN CC(=O)Cc1ccnn1CC1CCC1 214699363 572621964 /nfs/dbraw/zinc/62/19/64/572621964.db2.gz GQPXETVYXAYEON-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN NN1CCCCC[C@@H]1c1cnco1 74302201 572622034 /nfs/dbraw/zinc/62/20/34/572622034.db2.gz XEORXXNOXGAURQ-MRVPVSSYSA-N 0 0 181.239 1.465 10 0 ADAERN O=C1COc2c1ccc1c2OCCC1 714113060 572622035 /nfs/dbraw/zinc/62/20/35/572622035.db2.gz HVNGIOKHOMZAPK-UHFFFAOYSA-N 0 0 190.198 1.587 10 0 ADAERN CC[C@H](C)C(=O)CSC 69984459 572622068 /nfs/dbraw/zinc/62/20/68/572622068.db2.gz PBCBWHNUTHUVPR-LURJTMIESA-N 0 0 146.255 1.965 10 0 ADAERN CC[C@@H](C)C[C@H]1CCC(=O)NC1=O 69974776 572622084 /nfs/dbraw/zinc/62/20/84/572622084.db2.gz NBOPRWQUVDTDEA-HTQZYQBOSA-N 0 0 183.251 1.475 10 0 ADAERN O=Cc1ccccc1CC1OCCO1 196647176 572622103 /nfs/dbraw/zinc/62/21/03/572622103.db2.gz VSUOVGZRURFBLX-UHFFFAOYSA-N 0 0 192.214 1.415 10 0 ADAERN O=C(OC[C@H]1CCCS1)C1CC1 308079280 572622595 /nfs/dbraw/zinc/62/25/95/572622595.db2.gz HVSKOSXHVUUTNI-MRVPVSSYSA-N 0 0 186.276 1.835 10 0 ADAERN C[C@@H]1Cc2onc(N)c2[C@@H](C)N1C 74302167 572622132 /nfs/dbraw/zinc/62/21/32/572622132.db2.gz ZIOUSEATQYCHTR-PHDIDXHHSA-N 0 0 181.239 1.194 10 0 ADAERN CC[C@H](C(C)C)N1C[C@H](O)CC1=O 69973733 572622136 /nfs/dbraw/zinc/62/21/36/572622136.db2.gz XBIBAEKPGRCPCA-RKDXNWHRSA-N 0 0 185.267 1.014 10 0 ADAERN CSCC[C@H](CO)NC(C)=S 238362443 572622138 /nfs/dbraw/zinc/62/21/38/572622138.db2.gz ZVEYCMHNFAIIPG-SSDOTTSWSA-N 0 0 193.337 1.037 10 0 ADAERN CCCc1nnc(CSC)[nH]1 69985469 572622236 /nfs/dbraw/zinc/62/22/36/572622236.db2.gz CLUYRKZMTISLGD-UHFFFAOYSA-N 0 0 171.269 1.620 10 0 ADAERN O=Cc1cnc(-c2cc[nH]c2)nc1 74309780 572622639 /nfs/dbraw/zinc/62/26/39/572622639.db2.gz YKYDCZOUQCIKRB-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN N#Cc1cnccc1-c1ncco1 74310577 572622678 /nfs/dbraw/zinc/62/26/78/572622678.db2.gz AKLHTSSOCWPIPH-UHFFFAOYSA-N 0 0 171.159 1.608 10 0 ADAERN CSCCC(=O)[C@H]1CCOC1 69984262 572622439 /nfs/dbraw/zinc/62/24/39/572622439.db2.gz XRYSEKDUPYZLJD-ZETCQYMHSA-N 0 0 174.265 1.345 10 0 ADAERN C[C@H](C1CCCC1)N1C[C@@H](O)CC1=O 69973306 572622445 /nfs/dbraw/zinc/62/24/45/572622445.db2.gz GZQXDVBEZSTXTO-SCZZXKLOSA-N 0 0 197.278 1.158 10 0 ADAERN CSCCC(=O)C(F)(F)F 69984382 572622680 /nfs/dbraw/zinc/62/26/80/572622680.db2.gz UCBYLYNBOGCFJV-UHFFFAOYSA-N 0 0 172.171 1.871 10 0 ADAERN Cc1cccc(C2=NO[C@H](C[NH3+])C2)c1 69978097 572622475 /nfs/dbraw/zinc/62/24/75/572622475.db2.gz NVYKBLWMXUQMRL-JTQLQIEISA-N 0 0 190.246 1.447 10 0 ADAERN O=C1C[C@@H](O)CN1CC1CCCCC1 69972275 572622555 /nfs/dbraw/zinc/62/25/55/572622555.db2.gz MXVFVSIUJXPKTO-SNVBAGLBSA-N 0 0 197.278 1.160 10 0 ADAERN CCC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 69975515 572622558 /nfs/dbraw/zinc/62/25/58/572622558.db2.gz COFKWVBLRFEPJV-BHNWBGBOSA-N 0 0 154.209 1.533 10 0 ADAERN CC[C@@H](C(C)C)N1C[C@@H](O)CC1=O 69973737 572622624 /nfs/dbraw/zinc/62/26/24/572622624.db2.gz XBIBAEKPGRCPCA-IUCAKERBSA-N 0 0 185.267 1.014 10 0 ADAERN CSCC(=O)CC1CC1 69984676 572622626 /nfs/dbraw/zinc/62/26/26/572622626.db2.gz RBTZBUGLPASWBB-UHFFFAOYSA-N 0 0 144.239 1.719 10 0 ADAERN CSCCC(=O)[C@H]1C[C@H]1C 69984296 572622648 /nfs/dbraw/zinc/62/26/48/572622648.db2.gz PEDPHZGNPJAIEW-RQJHMYQMSA-N 0 0 158.266 1.965 10 0 ADAERN OC[C@@H]1CC(C2CCCCC2)=NO1 69978590 572622666 /nfs/dbraw/zinc/62/26/66/572622666.db2.gz KAHGPBDCYMZBRC-VIFPVBQESA-N 0 0 183.251 1.704 10 0 ADAERN Nn1cnc2c1Cc1ccccc1-2 74310509 572622686 /nfs/dbraw/zinc/62/26/86/572622686.db2.gz GFCAIPOZEGGECJ-UHFFFAOYSA-N 0 0 171.203 1.168 10 0 ADAERN COCCC(=O)[C@@H]1CCCS1 69984819 572622689 /nfs/dbraw/zinc/62/26/89/572622689.db2.gz MHIZOPCINGEXGD-QMMMGPOBSA-N 0 0 174.265 1.488 10 0 ADAERN CCC(CC)C1=NO[C@H](CO)C1 69978721 572622693 /nfs/dbraw/zinc/62/26/93/572622693.db2.gz XGZJSTBNBNQGDN-QMMMGPOBSA-N 0 0 171.240 1.560 10 0 ADAERN O=C(CSC1CCCC1)N1CC1 308079196 572622725 /nfs/dbraw/zinc/62/27/25/572622725.db2.gz HQEFLIYWSIOFRK-UHFFFAOYSA-N 0 0 185.292 1.504 10 0 ADAERN CCCCC1=NO[C@@H](C[NH3+])C1 69978274 572622733 /nfs/dbraw/zinc/62/27/33/572622733.db2.gz UWYCGEVJAWTVLN-MRVPVSSYSA-N 0 0 156.229 1.280 10 0 ADAERN CCCOc1c(N)c(C)nn1CCC 85032815 572622746 /nfs/dbraw/zinc/62/27/46/572622746.db2.gz CKHGROQEDSGRSK-UHFFFAOYSA-N 0 0 197.282 1.973 10 0 ADAERN OC[C@@H]1CC(c2ccccc2F)=NO1 69978927 572622756 /nfs/dbraw/zinc/62/27/56/572622756.db2.gz IGGHTDZQDDYSHH-ZETCQYMHSA-N 0 0 195.193 1.311 10 0 ADAERN O=Cc1[nH]ccc1-c1ccncc1 74310186 572622769 /nfs/dbraw/zinc/62/27/69/572622769.db2.gz UFTFOGIYBXFXLW-UHFFFAOYSA-N 0 0 172.187 1.889 10 0 ADAERN Cc1cc(-n2cccc2)ncc1N 74309653 572622774 /nfs/dbraw/zinc/62/27/74/572622774.db2.gz FITGKBFKSQROQT-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN CCC[C@](C)(CO)Cc1cnn(C)c1 85037927 572622775 /nfs/dbraw/zinc/62/27/75/572622775.db2.gz FARSYPRIXMUOOM-NSHDSACASA-N 0 0 196.294 1.761 10 0 ADAERN CC(C)C[C@]1(O)CO[C@H](C)C1 401841418 572622819 /nfs/dbraw/zinc/62/28/19/572622819.db2.gz RMOSPJWPYQDPEF-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN Nc1c(Cl)ccc2c1OCC2=O 714113176 572622882 /nfs/dbraw/zinc/62/28/82/572622882.db2.gz QMSURRSVJOLNDO-UHFFFAOYSA-N 0 0 183.594 1.497 10 0 ADAERN CC(C)C[C@@]1(O)CO[C@@H](C)C1 401841414 572622916 /nfs/dbraw/zinc/62/29/16/572622916.db2.gz RMOSPJWPYQDPEF-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN CCC(F)(F)CC[C@H]([NH3+])C(=O)[O-] 115481169 572622942 /nfs/dbraw/zinc/62/29/42/572622942.db2.gz VDJIYBUGLPFTNK-YFKPBYRVSA-N 0 0 181.182 1.224 10 0 ADAERN Nc1cnncc1-c1cccnc1 74310176 572622974 /nfs/dbraw/zinc/62/29/74/572622974.db2.gz CCYSBOIFHFHISR-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN CC(C)C[C@@H](N)c1ncns1 74310410 572622989 /nfs/dbraw/zinc/62/29/89/572622989.db2.gz UZAALCMXCNOGSR-ZCFIWIBFSA-N 0 0 171.269 1.584 10 0 ADAERN Nc1ccc2c(c1Cl)OCC2=O 714113225 572622998 /nfs/dbraw/zinc/62/29/98/572622998.db2.gz XRETUDXMFUJYLU-UHFFFAOYSA-N 0 0 183.594 1.497 10 0 ADAERN CNCc1noc([C@@H]2CCSC2)n1 70004908 572625634 /nfs/dbraw/zinc/62/56/34/572625634.db2.gz ZJQWUAMWOZPVRP-ZCFIWIBFSA-N 0 0 199.279 1.010 10 0 ADAERN CCn1cc(CC2(CO)CC2)cn1 85037540 572623009 /nfs/dbraw/zinc/62/30/09/572623009.db2.gz LLEPLOFMIQGPAS-UHFFFAOYSA-N 0 0 180.251 1.218 10 0 ADAERN CCCn1nc(C)c(N)c1N(C)OC 85032583 572623031 /nfs/dbraw/zinc/62/30/31/572623031.db2.gz UDGBJUHLASIZNY-UHFFFAOYSA-N 0 0 198.270 1.181 10 0 ADAERN NCc1nc2ccsc2s1 74310862 572623046 /nfs/dbraw/zinc/62/30/46/572623046.db2.gz PHUZDVSFVKZBBO-UHFFFAOYSA-N 0 0 170.262 1.817 10 0 ADAERN CCC[C@](C)(CO)CCOC 85037939 572623258 /nfs/dbraw/zinc/62/32/58/572623258.db2.gz ALEFJVNEDGQCCI-VIFPVBQESA-N 0 0 160.257 1.822 10 0 ADAERN Nc1cc[nH]c1Cc1ccccn1 74309644 572623195 /nfs/dbraw/zinc/62/31/95/572623195.db2.gz FSPKCSKNYVWINS-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN C[C@@H](NC1COC1)c1cncc(F)c1 235195224 572623213 /nfs/dbraw/zinc/62/32/13/572623213.db2.gz LJIFQJLROHZOJQ-SSDOTTSWSA-N 0 0 196.225 1.270 10 0 ADAERN COCCOCCC(C)(C)CO 85035843 572623289 /nfs/dbraw/zinc/62/32/89/572623289.db2.gz SMMVWGRUZXCTMC-UHFFFAOYSA-N 0 0 176.256 1.058 10 0 ADAERN O=Cc1ccccc1-n1cnnc1 74309785 572623326 /nfs/dbraw/zinc/62/33/26/572623326.db2.gz JNAOQOJSSVKBSS-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN O=Cc1cc(-c2ccncn2)c[nH]1 74309790 572623343 /nfs/dbraw/zinc/62/33/43/572623343.db2.gz XDONHGHWWDUYFV-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN COC(C)(C)CCC(=O)C(C)(C)O 234578884 572623347 /nfs/dbraw/zinc/62/33/47/572623347.db2.gz CVPWIVRPSPPVEU-UHFFFAOYSA-N 0 0 188.267 1.532 10 0 ADAERN CCCC(F)(F)C[C@H](N)C(=O)OC 115480174 572623358 /nfs/dbraw/zinc/62/33/58/572623358.db2.gz CGQPPVWGEXXCTB-LURJTMIESA-N 0 0 195.209 1.312 10 0 ADAERN O[C@]1(c2ccccc2F)CCCOC1 70017101 572623376 /nfs/dbraw/zinc/62/33/76/572623376.db2.gz OOMRISZFTVSIFZ-LLVKDONJSA-N 0 0 196.221 1.824 10 0 ADAERN CS(=O)(=O)Cc1ccccc1C=O 115482546 572623381 /nfs/dbraw/zinc/62/33/81/572623381.db2.gz LQAQICIDQVKITO-UHFFFAOYSA-N 0 0 198.243 1.044 10 0 ADAERN CNCc1nnc([C@@H]2CCSC2)o1 70005481 572623389 /nfs/dbraw/zinc/62/33/89/572623389.db2.gz YERCXEBWNMLXHZ-ZCFIWIBFSA-N 0 0 199.279 1.010 10 0 ADAERN Cc1nc([C@H]2C[C@@H]2CO)cs1 127156179 572623423 /nfs/dbraw/zinc/62/34/23/572623423.db2.gz LFSJOGOHNKTPPB-RQJHMYQMSA-N 0 0 169.249 1.547 10 0 ADAERN Nc1nc(-c2cnsc2)cs1 115494835 572623424 /nfs/dbraw/zinc/62/34/24/572623424.db2.gz HGUZTGKLYSADRN-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN CCCn1nc(C)c(N)c1OC(C)C 85032795 572623439 /nfs/dbraw/zinc/62/34/39/572623439.db2.gz MMIVWKSPYXKWDA-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN CCCC(F)(F)C[C@@H](N)C(=O)OC 115480170 572623468 /nfs/dbraw/zinc/62/34/68/572623468.db2.gz CGQPPVWGEXXCTB-ZCFIWIBFSA-N 0 0 195.209 1.312 10 0 ADAERN C[C@@H](O)[C@@H](C)SC(F)F 235268177 572623477 /nfs/dbraw/zinc/62/34/77/572623477.db2.gz BMKHZFDJNXRJCT-QWWZWVQMSA-N 0 0 156.197 1.712 10 0 ADAERN CCC(F)(F)CC[C@@H](N)C(=O)OC 115480771 572623496 /nfs/dbraw/zinc/62/34/96/572623496.db2.gz OECDOYHVOCVXTB-ZCFIWIBFSA-N 0 0 195.209 1.312 10 0 ADAERN CC(C)(CO)CC[C@@H]1CCCO1 85036065 572623507 /nfs/dbraw/zinc/62/35/07/572623507.db2.gz VCEYTDQLEUJFKX-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN Cc1ccc(-c2cn(N)cn2)cc1 74309633 572623566 /nfs/dbraw/zinc/62/35/66/572623566.db2.gz AIGPTIZGRKBBCT-UHFFFAOYSA-N 0 0 173.219 1.572 10 0 ADAERN COc1ccc(C)c(CC=O)c1C=O 238362160 572623580 /nfs/dbraw/zinc/62/35/80/572623580.db2.gz ZKTPOZCNXQPNGM-UHFFFAOYSA-N 0 0 192.214 1.558 10 0 ADAERN Cc1c(-c2ccccc2)ncn1N 74309631 572623614 /nfs/dbraw/zinc/62/36/14/572623614.db2.gz MMWFTIXIORGJFL-UHFFFAOYSA-N 0 0 173.219 1.572 10 0 ADAERN Cc1ccncc1-c1cc(N)c[nH]1 74309649 572623671 /nfs/dbraw/zinc/62/36/71/572623671.db2.gz SIQOCODCMWOHFH-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Nc1cnoc1[C@@H]1CCSC1 74310947 572623674 /nfs/dbraw/zinc/62/36/74/572623674.db2.gz SFQDCZJRJVQFGP-RXMQYKEDSA-N 0 0 170.237 1.477 10 0 ADAERN CCCCOCCC1(CO)CC1 85037522 572623679 /nfs/dbraw/zinc/62/36/79/572623679.db2.gz OWHVTZVURVOWFU-UHFFFAOYSA-N 0 0 172.268 1.966 10 0 ADAERN Cc1cccc([C@@]2(O)CCCOC2)c1 70017464 572626496 /nfs/dbraw/zinc/62/64/96/572626496.db2.gz OEYADQOTMUXESK-GFCCVEGCSA-N 0 0 192.258 1.993 10 0 ADAERN C[C@H](C1CCCC1)N(O)C(N)=O 74310094 572623786 /nfs/dbraw/zinc/62/37/86/572623786.db2.gz UNJYWFKVHFDQBK-ZCFIWIBFSA-N 0 0 172.228 1.335 10 0 ADAERN COCCOc1ccnc(C)c1 238362196 572623803 /nfs/dbraw/zinc/62/38/03/572623803.db2.gz IAKITXJVQFPUSU-UHFFFAOYSA-N 0 0 167.208 1.415 10 0 ADAERN CC/C=C\C(=O)N1CC(C)C1 307850264 572623823 /nfs/dbraw/zinc/62/38/23/572623823.db2.gz AOGNJQKGHILTQF-PLNGDYQASA-N 0 0 153.225 1.431 10 0 ADAERN COCC[C@H](CO)CC(C)C 85039786 572626660 /nfs/dbraw/zinc/62/66/60/572626660.db2.gz SVQXJZHQHFLQBO-VIFPVBQESA-N 0 0 160.257 1.678 10 0 ADAERN COC(=O)C=CNCc1ccoc1 234577826 572623838 /nfs/dbraw/zinc/62/38/38/572623838.db2.gz BOJUIFQVLLQDHO-DUXPYHPUSA-N 0 0 181.191 1.056 10 0 ADAERN CC(C)(CO)CC[C@H]1CCCO1 85036068 572623867 /nfs/dbraw/zinc/62/38/67/572623867.db2.gz VCEYTDQLEUJFKX-SECBINFHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCn1ncnc1CC(C)(C)CO 85035850 572623882 /nfs/dbraw/zinc/62/38/82/572623882.db2.gz SAHHZGMSOATIMQ-UHFFFAOYSA-N 0 0 197.282 1.249 10 0 ADAERN COC1(CNc2nc(C)no2)CCC1 234776618 572623917 /nfs/dbraw/zinc/62/39/17/572623917.db2.gz CCIIMGXDVCYXPF-UHFFFAOYSA-N 0 0 197.238 1.359 10 0 ADAERN CC[NH2+]CCC[C@@H](C)C(=O)[O-] 307850166 572623967 /nfs/dbraw/zinc/62/39/67/572623967.db2.gz ACWSTTYRDRMOSX-SSDOTTSWSA-N 0 0 159.229 1.097 10 0 ADAERN COC(=O)[C@@H](N)CC=C1CCCCC1 238362199 572623972 /nfs/dbraw/zinc/62/39/72/572623972.db2.gz SPYBOYTXIUIOJQ-JTQLQIEISA-N 0 0 197.278 1.767 10 0 ADAERN CCOCCC1(CO)CCC1 85036971 572623986 /nfs/dbraw/zinc/62/39/86/572623986.db2.gz NZEOLHTVEJMPHQ-UHFFFAOYSA-N 0 0 158.241 1.576 10 0 ADAERN C=Cc1ccc(C(CO)CO)cc1 115506045 572623991 /nfs/dbraw/zinc/62/39/91/572623991.db2.gz DFGKTAIHGRFFAH-UHFFFAOYSA-N 0 0 178.231 1.398 10 0 ADAERN O=Cc1cc(-c2cnccn2)c[nH]1 74309794 572623998 /nfs/dbraw/zinc/62/39/98/572623998.db2.gz KSPPLQIABKAMCF-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN O=C1OC[C@@H]2CCC[C@H]1C2 115616818 572626648 /nfs/dbraw/zinc/62/66/48/572626648.db2.gz CLICQHLXHWRQDC-RQJHMYQMSA-N 0 0 140.182 1.350 10 0 ADAERN CNc1ccc2c(c1)OCC2=O 714113148 572624046 /nfs/dbraw/zinc/62/40/46/572624046.db2.gz OAJMBFBOCSKMIK-UHFFFAOYSA-N 0 0 163.176 1.303 10 0 ADAERN CC1CC[NH+](CC[C@@H](C)C(=O)[O-])CC1 87634724 572627375 /nfs/dbraw/zinc/62/73/75/572627375.db2.gz BOERTYITDJPUAT-SNVBAGLBSA-N 0 0 199.294 1.829 10 0 ADAERN O[C@@]1(C2CCCC2)CCCOC1 70017449 572624118 /nfs/dbraw/zinc/62/41/18/572624118.db2.gz OVCUIAQWFFQFDU-JTQLQIEISA-N 0 0 170.252 1.718 10 0 ADAERN CCc1cc(CC(C)(C)CO)n(C)n1 85035942 572624123 /nfs/dbraw/zinc/62/41/23/572624123.db2.gz HEBQAFZUUHPVQV-UHFFFAOYSA-N 0 0 196.294 1.544 10 0 ADAERN Nc1cc[nH]c1Cc1cccnc1 74309646 572624130 /nfs/dbraw/zinc/62/41/30/572624130.db2.gz MQNLSOFGEVRNFT-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN COC(=O)/C=C/NCc1ccsc1 234577921 572624148 /nfs/dbraw/zinc/62/41/48/572624148.db2.gz UOELXVSTQBVCGQ-DUXPYHPUSA-N 0 0 197.259 1.524 10 0 ADAERN CCCCC[S@](=O)CC(=O)OC 115480129 572624198 /nfs/dbraw/zinc/62/41/98/572624198.db2.gz FELZQPULQKQMIY-GFCCVEGCSA-N 0 0 192.280 1.098 10 0 ADAERN Nc1cnoc1[C@H]1CCSC1 74310950 572624223 /nfs/dbraw/zinc/62/42/23/572624223.db2.gz SFQDCZJRJVQFGP-YFKPBYRVSA-N 0 0 170.237 1.477 10 0 ADAERN O[C@]1(c2cccnc2)CCCOC1 70017726 572624226 /nfs/dbraw/zinc/62/42/26/572624226.db2.gz WSAWRZHNLLQOBG-SNVBAGLBSA-N 0 0 179.219 1.080 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])CC1CCCC1 74310457 572624233 /nfs/dbraw/zinc/62/42/33/572624233.db2.gz LREMTHPUZSUFPH-QMMMGPOBSA-N 0 0 171.240 1.369 10 0 ADAERN O[C@]1(c2ccco2)CCCOC1 70017546 572624237 /nfs/dbraw/zinc/62/42/37/572624237.db2.gz JTCJAEVNGAIMBC-SECBINFHSA-N 0 0 168.192 1.278 10 0 ADAERN CCn1nc(C)cc1CC(C)(C)CO 85035908 572624238 /nfs/dbraw/zinc/62/42/38/572624238.db2.gz DTRFUCKJWMCQOQ-UHFFFAOYSA-N 0 0 196.294 1.772 10 0 ADAERN Oc1cccc(N[C@@H]2CCCOC2)c1 70011805 572624273 /nfs/dbraw/zinc/62/42/73/572624273.db2.gz WHGABFIFEUKOLZ-SNVBAGLBSA-N 0 0 193.246 1.983 10 0 ADAERN Cn1nccc1-c1cn2cccnc2n1 236095045 572624285 /nfs/dbraw/zinc/62/42/85/572624285.db2.gz RXGJPAFNXTZWQK-UHFFFAOYSA-N 0 0 199.217 1.130 10 0 ADAERN CC(C)/C=C\C(=O)NCCF 307850251 572624307 /nfs/dbraw/zinc/62/43/07/572624307.db2.gz ANJFUIQYTWDVKO-ARJAWSKDSA-N 0 0 159.204 1.284 10 0 ADAERN O[C@]1(c2cccs2)CCCOC1 70017217 572624310 /nfs/dbraw/zinc/62/43/10/572624310.db2.gz OGJLZRJTTXUAKO-SECBINFHSA-N 0 0 184.260 1.746 10 0 ADAERN CO[C@H]1CCC/C(=C\[C@@H](C)O)C1 234776844 572624323 /nfs/dbraw/zinc/62/43/23/572624323.db2.gz ZYCNIUHOXGKERQ-IHFVLYLFSA-N 0 0 170.252 1.883 10 0 ADAERN O=Cc1cccc(SCCCO)c1 115648337 572624328 /nfs/dbraw/zinc/62/43/28/572624328.db2.gz KZRROQQBTIWPNN-UHFFFAOYSA-N 0 0 196.271 1.974 10 0 ADAERN COC(=O)[C@@H](N)CC(F)(F)C(C)C 238362065 572624333 /nfs/dbraw/zinc/62/43/33/572624333.db2.gz AGZOSJBNYJILAD-LURJTMIESA-N 0 0 195.209 1.168 10 0 ADAERN C[C@H](Nc1cn[nH]c1)c1nccn1C 70007641 572624354 /nfs/dbraw/zinc/62/43/54/572624354.db2.gz DMCAAGVGYYIPHW-ZETCQYMHSA-N 0 0 191.238 1.316 10 0 ADAERN CC[C@H](C)[C@H](N)c1ncns1 74310409 572624362 /nfs/dbraw/zinc/62/43/62/572624362.db2.gz AFXXDINWZHQYLV-WDSKDSINSA-N 0 0 171.269 1.584 10 0 ADAERN C[C@@H](C1CCCC1)N(O)C(N)=O 74310092 572624590 /nfs/dbraw/zinc/62/45/90/572624590.db2.gz UNJYWFKVHFDQBK-LURJTMIESA-N 0 0 172.228 1.335 10 0 ADAERN CC(C)/C=C\C(=O)NC(=O)C(C)C 308077771 572624382 /nfs/dbraw/zinc/62/43/82/572624382.db2.gz NXEPMZQGLPWPMN-WAYWQWQTSA-N 0 0 183.251 1.497 10 0 ADAERN CCCCCC(=O)O[C@@H](C)CO 115648776 572624383 /nfs/dbraw/zinc/62/43/83/572624383.db2.gz PWNFTZZOSNXDLA-QMMMGPOBSA-N 0 0 174.240 1.491 10 0 ADAERN Cn1nccc1-c1cn2ccccc2n1 236095027 572624591 /nfs/dbraw/zinc/62/45/91/572624591.db2.gz CUUKNUDIOQKARM-UHFFFAOYSA-N 0 0 198.229 1.735 10 0 ADAERN O[C@]1(c2cncc(F)c2)CCCOC1 70017607 572624414 /nfs/dbraw/zinc/62/44/14/572624414.db2.gz ZASITCADODKPGK-SNVBAGLBSA-N 0 0 197.209 1.219 10 0 ADAERN CCC[C@@](C)(CO)CCOC 85037941 572624424 /nfs/dbraw/zinc/62/44/24/572624424.db2.gz ALEFJVNEDGQCCI-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN CNCc1noc([C@H]2CCSC2)n1 70004910 572624429 /nfs/dbraw/zinc/62/44/29/572624429.db2.gz ZJQWUAMWOZPVRP-LURJTMIESA-N 0 0 199.279 1.010 10 0 ADAERN Nc1cc[nH]c1Cc1ccncc1 74309647 572624480 /nfs/dbraw/zinc/62/44/80/572624480.db2.gz ZEWMOJRKKYFWJK-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN CCCCCC(=O)O[C@H](C)CO 115648778 572627389 /nfs/dbraw/zinc/62/73/89/572627389.db2.gz PWNFTZZOSNXDLA-MRVPVSSYSA-N 0 0 174.240 1.491 10 0 ADAERN CC(C)(C)c1nsc(CN)n1 74310389 572624546 /nfs/dbraw/zinc/62/45/46/572624546.db2.gz HTXNVFZXFFBJJO-UHFFFAOYSA-N 0 0 171.269 1.294 10 0 ADAERN CCOCCC1(CO)CCOCC1 85036590 572624556 /nfs/dbraw/zinc/62/45/56/572624556.db2.gz HEUOCFFHYUWZDP-UHFFFAOYSA-N 0 0 188.267 1.202 10 0 ADAERN Cc1ccc([C@]2(O)CCCOC2)cn1 70017441 572624559 /nfs/dbraw/zinc/62/45/59/572624559.db2.gz XZDMHBOHQNJSAC-NSHDSACASA-N 0 0 193.246 1.388 10 0 ADAERN CC(C)C[C@@]1(O)CCCOC1 70017618 572624564 /nfs/dbraw/zinc/62/45/64/572624564.db2.gz ZLLUQRMEHHDCHP-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CCn1ncnc1CC1(CO)CCC1 85037236 572624568 /nfs/dbraw/zinc/62/45/68/572624568.db2.gz XTKFJSFXRJGGSK-UHFFFAOYSA-N 0 0 195.266 1.003 10 0 ADAERN O[C@@]1(c2cccnc2)CCCOC1 70017724 572624571 /nfs/dbraw/zinc/62/45/71/572624571.db2.gz WSAWRZHNLLQOBG-JTQLQIEISA-N 0 0 179.219 1.080 10 0 ADAERN COC(=O)C=C1CC(C)C1 234507151 572624615 /nfs/dbraw/zinc/62/46/15/572624615.db2.gz RVKUZEVAYKOUNB-UHFFFAOYSA-N 0 0 140.182 1.516 10 0 ADAERN CC[NH2+]CCC[C@H](C)C(=O)[O-] 307850167 572624634 /nfs/dbraw/zinc/62/46/34/572624634.db2.gz ACWSTTYRDRMOSX-ZETCQYMHSA-N 0 0 159.229 1.097 10 0 ADAERN O=C([O-])CCC[NH2+]CCC(F)F 308077287 572624689 /nfs/dbraw/zinc/62/46/89/572624689.db2.gz DHGMUXMQXUUPMO-UHFFFAOYSA-N 0 0 181.182 1.096 10 0 ADAERN Cn1cccc1-c1cccc(N)n1 74309658 572624690 /nfs/dbraw/zinc/62/46/90/572624690.db2.gz DNETVUQQWBYEBK-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Nc1cnncc1-c1ccccn1 74310177 572624705 /nfs/dbraw/zinc/62/47/05/572624705.db2.gz MCNLSQIBFOTGRW-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN COCCCC1(CO)CCOCC1 85036702 572624712 /nfs/dbraw/zinc/62/47/12/572624712.db2.gz FTPJFTLNXCSUPK-UHFFFAOYSA-N 0 0 188.267 1.202 10 0 ADAERN O=Cc1ccc(-c2cncnc2)[nH]1 74309802 572624810 /nfs/dbraw/zinc/62/48/10/572624810.db2.gz HWTOIPYWRFTIOF-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN Cc1cc(-c2cc(N)c[nH]2)ccn1 74309651 572624832 /nfs/dbraw/zinc/62/48/32/572624832.db2.gz CKAYEKRZPRWYCU-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CC(C)c1nsc([C@@H](C)N)n1 74310392 572624884 /nfs/dbraw/zinc/62/48/84/572624884.db2.gz SQULNZCROQBNGP-RXMQYKEDSA-N 0 0 171.269 1.681 10 0 ADAERN O[C@@]1(c2cncc(F)c2)CCCOC1 70017602 572624891 /nfs/dbraw/zinc/62/48/91/572624891.db2.gz ZASITCADODKPGK-JTQLQIEISA-N 0 0 197.209 1.219 10 0 ADAERN CCn1cc(CC(C)(C)CO)cn1 85036052 572624928 /nfs/dbraw/zinc/62/49/28/572624928.db2.gz MTVKQEHDUKXYEH-UHFFFAOYSA-N 0 0 182.267 1.464 10 0 ADAERN NOC1C2CC3CC(C2)CC1C3 115631025 572624969 /nfs/dbraw/zinc/62/49/69/572624969.db2.gz NWOZHQGZSZQIKH-UHFFFAOYSA-N 0 0 167.252 1.701 10 0 ADAERN CC(C)[C@@]1(O)CCCOC1 70017034 572624976 /nfs/dbraw/zinc/62/49/76/572624976.db2.gz CDGRCUADTKQCAG-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN C(=Cc1cc[nH]n1)c1cc[nH]c1 115636947 572624994 /nfs/dbraw/zinc/62/49/94/572624994.db2.gz QNQPCKJLSXTOPS-UPHRSURJSA-N 0 0 159.192 1.908 10 0 ADAERN O=C1CCC[C@@H](c2ccccc2)[C@@H]1O 196841613 572625007 /nfs/dbraw/zinc/62/50/07/572625007.db2.gz VATUBJSUZQKCPX-JQWIXIFHSA-N 0 0 190.242 1.884 10 0 ADAERN CC1(C)CC[C@@H]([NH3+])[C@@H](C(=O)[O-])C1 74310471 572625046 /nfs/dbraw/zinc/62/50/46/572625046.db2.gz KDXFROIPGPBAKA-NKWVEPMBSA-N 0 0 171.240 1.225 10 0 ADAERN COC(C)(OC)c1ccccc1O 196848946 572625064 /nfs/dbraw/zinc/62/50/64/572625064.db2.gz JPJOCGZGXHMMHV-UHFFFAOYSA-N 0 0 182.219 1.858 10 0 ADAERN Cc1cc(CC(C)C)n[nH]1 115497730 572625156 /nfs/dbraw/zinc/62/51/56/572625156.db2.gz QEXHMSOVHGCZEA-UHFFFAOYSA-N 0 0 138.214 1.917 10 0 ADAERN CNCc1nnc([C@@H]2CCCS2)o1 70005486 572625188 /nfs/dbraw/zinc/62/51/88/572625188.db2.gz BQKOQZOJBRHRIZ-LURJTMIESA-N 0 0 199.279 1.357 10 0 ADAERN CC1(C)CC[C@@H]([NH3+])[C@H](C(=O)[O-])C1 74310468 572625213 /nfs/dbraw/zinc/62/52/13/572625213.db2.gz KDXFROIPGPBAKA-RNFRBKRXSA-N 0 0 171.240 1.225 10 0 ADAERN CCC[C@]1(O)CCCOC1 70017087 572625240 /nfs/dbraw/zinc/62/52/40/572625240.db2.gz NBOBFEYQGVHIMO-QMMMGPOBSA-N 0 0 144.214 1.328 10 0 ADAERN COC(=O)C=CNOC1CCCC1 234579002 572625268 /nfs/dbraw/zinc/62/52/68/572625268.db2.gz SZMMVWVRBYLHIP-VOTSOKGWSA-N 0 0 185.223 1.137 10 0 ADAERN CCOC(=O)C=C(C)NC1CCCC1 115640418 572625294 /nfs/dbraw/zinc/62/52/94/572625294.db2.gz OZXYOOICFBPUKR-HJWRWDBZSA-N 0 0 197.278 1.986 10 0 ADAERN O=C1CCC[C@@H]2CC=C[C@@H]12 196843661 572625319 /nfs/dbraw/zinc/62/53/19/572625319.db2.gz JZSWMMDOSYZUFD-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN N#Cc1ccc(C2CC2)nc1C=O 74310188 572625360 /nfs/dbraw/zinc/62/53/60/572625360.db2.gz DHSXKQKWXVHZPW-UHFFFAOYSA-N 0 0 172.187 1.643 10 0 ADAERN CCOCCCC1(CO)CCC1 85037176 572625366 /nfs/dbraw/zinc/62/53/66/572625366.db2.gz OHVZRUHBLDSBPL-UHFFFAOYSA-N 0 0 172.268 1.966 10 0 ADAERN CCC(F)(F)CC[C@H](N)C(=O)OC 115479970 572625372 /nfs/dbraw/zinc/62/53/72/572625372.db2.gz OECDOYHVOCVXTB-LURJTMIESA-N 0 0 195.209 1.312 10 0 ADAERN CCn1cc(CC2(CO)CCC2)cn1 85037226 572625425 /nfs/dbraw/zinc/62/54/25/572625425.db2.gz NWSPKSUMYKFJCV-UHFFFAOYSA-N 0 0 194.278 1.608 10 0 ADAERN CCc1nc(NC#N)ccc1C 196841115 572625434 /nfs/dbraw/zinc/62/54/34/572625434.db2.gz YIUSRPDUNSVQNE-UHFFFAOYSA-N 0 0 161.208 1.845 10 0 ADAERN C[C@H]1C=C([Si](C)(C)C)[C@@H](CO)O1 196850183 572625441 /nfs/dbraw/zinc/62/54/41/572625441.db2.gz RHMWINLOEUHOPU-JGVFFNPUSA-N 0 0 186.327 1.570 10 0 ADAERN CC1(C)CC[C@H]([NH3+])[C@H](C(=O)[O-])C1 74310467 572625442 /nfs/dbraw/zinc/62/54/42/572625442.db2.gz KDXFROIPGPBAKA-RQJHMYQMSA-N 0 0 171.240 1.225 10 0 ADAERN CCOCCC1(CO)CCCC1 85037736 572625444 /nfs/dbraw/zinc/62/54/44/572625444.db2.gz WVNFIZWSAOIELT-UHFFFAOYSA-N 0 0 172.268 1.966 10 0 ADAERN Cc1c(N)cccc1-n1ccnc1 74309630 572625460 /nfs/dbraw/zinc/62/54/60/572625460.db2.gz GDXCMLOMLLVFIU-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN CCCCCC1N=NC(=O)O1 70030674 572627422 /nfs/dbraw/zinc/62/74/22/572627422.db2.gz IJYSDCJVKMGZRA-UHFFFAOYSA-N 0 0 156.185 1.508 10 0 ADAERN CC(C)n1ncnc1CC(C)(C)CO 85036069 572625537 /nfs/dbraw/zinc/62/55/37/572625537.db2.gz HBWUKKNGVGCFLE-UHFFFAOYSA-N 0 0 197.282 1.420 10 0 ADAERN O=Cc1ccc(-c2ccncn2)[nH]1 74309800 572625559 /nfs/dbraw/zinc/62/55/59/572625559.db2.gz OHQVWHZKVRBCGC-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN OCC1(CC[C@@H]2CCCO2)CC1 85037552 572625562 /nfs/dbraw/zinc/62/55/62/572625562.db2.gz NEVZARCXMTWKBW-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN COc1ccc(N)cc1COC(C)=O 238366106 572627476 /nfs/dbraw/zinc/62/74/76/572627476.db2.gz BRRKMFOLRJOOIH-UHFFFAOYSA-N 0 0 195.218 1.341 10 0 ADAERN CNc1sc(C)nc1C 115511766 572625598 /nfs/dbraw/zinc/62/55/98/572625598.db2.gz IJTCGNYWTHBOKD-UHFFFAOYSA-N 0 0 142.227 1.802 10 0 ADAERN CNCc1nnc([C@H]2CCSC2)o1 70005483 572625603 /nfs/dbraw/zinc/62/56/03/572625603.db2.gz YERCXEBWNMLXHZ-LURJTMIESA-N 0 0 199.279 1.010 10 0 ADAERN C[C@@H](CCO)[C@H]1CC[C@@H](C)C[C@H]1O 196845578 572625663 /nfs/dbraw/zinc/62/56/63/572625663.db2.gz FNFZRFDWDQPQSB-LMLFDSFASA-N 0 0 186.295 1.802 10 0 ADAERN CC(C)c1nsc([C@H](C)N)n1 74310393 572625714 /nfs/dbraw/zinc/62/57/14/572625714.db2.gz SQULNZCROQBNGP-YFKPBYRVSA-N 0 0 171.269 1.681 10 0 ADAERN O=C1CCC[C@H](c2ccccc2)[C@@H]1O 196841624 572625720 /nfs/dbraw/zinc/62/57/20/572625720.db2.gz VATUBJSUZQKCPX-PWSUYJOCSA-N 0 0 190.242 1.884 10 0 ADAERN CC1(C)CC[C@H]([NH3+])[C@@H](C(=O)[O-])C1 74310469 572625725 /nfs/dbraw/zinc/62/57/25/572625725.db2.gz KDXFROIPGPBAKA-BQBZGAKWSA-N 0 0 171.240 1.225 10 0 ADAERN CCC[C@@H](CO)COC(C)C 307850658 572625740 /nfs/dbraw/zinc/62/57/40/572625740.db2.gz AXOFANIOFSLMNF-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CCC[C@@](C)(CO)Cc1cnn(C)c1 85037928 572625754 /nfs/dbraw/zinc/62/57/54/572625754.db2.gz FARSYPRIXMUOOM-LLVKDONJSA-N 0 0 196.294 1.761 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])CC1CCCC1 74310459 572625759 /nfs/dbraw/zinc/62/57/59/572625759.db2.gz LREMTHPUZSUFPH-MRVPVSSYSA-N 0 0 171.240 1.369 10 0 ADAERN CCOCCCC1(CO)CC1 85037512 572625764 /nfs/dbraw/zinc/62/57/64/572625764.db2.gz ONKFIEMLRAMNCE-UHFFFAOYSA-N 0 0 158.241 1.576 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)c1nccn1C 70007643 572625785 /nfs/dbraw/zinc/62/57/85/572625785.db2.gz DMCAAGVGYYIPHW-SSDOTTSWSA-N 0 0 191.238 1.316 10 0 ADAERN Cc1ccccc1-c1cn(N)cn1 74309634 572625791 /nfs/dbraw/zinc/62/57/91/572625791.db2.gz WZAGPSXTKFGKIX-UHFFFAOYSA-N 0 0 173.219 1.572 10 0 ADAERN O=Cc1cc(-c2cncnc2)c[nH]1 74309792 572625792 /nfs/dbraw/zinc/62/57/92/572625792.db2.gz FTBKUECNJQWZON-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN CSc1nc(C)c(C=O)n1C 74310917 572625806 /nfs/dbraw/zinc/62/58/06/572625806.db2.gz DSIGXCGAIVSTLK-UHFFFAOYSA-N 0 0 170.237 1.263 10 0 ADAERN OCC1(CCOCC(F)(F)F)CC1 85037496 572625811 /nfs/dbraw/zinc/62/58/11/572625811.db2.gz REGXPPDNORRNHK-UHFFFAOYSA-N 0 0 198.184 1.728 10 0 ADAERN CO[C@H](C)[C@H](O)C1=CCCCC1 234776343 572625817 /nfs/dbraw/zinc/62/58/17/572625817.db2.gz BWTLUCUPGQRRCS-SCZZXKLOSA-N 0 0 170.252 1.883 10 0 ADAERN CCOCCC(=O)OC/C=C/Cl 308077390 572625822 /nfs/dbraw/zinc/62/58/22/572625822.db2.gz DKBAGCPFVNOEKE-HWKANZROSA-N 0 0 192.642 1.709 10 0 ADAERN C[C@H](OCc1ccccc1)[C@@H](C)NN 404469515 572625834 /nfs/dbraw/zinc/62/58/34/572625834.db2.gz YWHAKHJITGJYRS-ZJUUUORDSA-N 0 0 194.278 1.444 10 0 ADAERN Nc1cnncc1-c1ccncc1 74310174 572625836 /nfs/dbraw/zinc/62/58/36/572625836.db2.gz CRIQEMVWMRQYJH-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN CNc1cncc(NCCCCO)c1 234578521 572625857 /nfs/dbraw/zinc/62/58/57/572625857.db2.gz GFBPOKIHRDZPDJ-UHFFFAOYSA-N 0 0 195.266 1.308 10 0 ADAERN COCCOCCC1(CO)CCC1 85036952 572625864 /nfs/dbraw/zinc/62/58/64/572625864.db2.gz JHMOMHYCNXWCEV-UHFFFAOYSA-N 0 0 188.267 1.202 10 0 ADAERN CC1(C)C[C@H](O)[C@@H](O)[C@@](C)(F)C1 196845990 572627428 /nfs/dbraw/zinc/62/74/28/572627428.db2.gz JOLGRUDXWDSWOQ-OOZYFLPDSA-N 0 0 176.231 1.256 10 0 ADAERN O[C@H]1OCCC12CCCCC2 196852196 572625957 /nfs/dbraw/zinc/62/59/57/572625957.db2.gz PQGJSUDFTBHQIS-QMMMGPOBSA-N 0 0 156.225 1.676 10 0 ADAERN CCC(F)(F)CC[C@@H]([NH3+])C(=O)[O-] 115481167 572625966 /nfs/dbraw/zinc/62/59/66/572625966.db2.gz VDJIYBUGLPFTNK-RXMQYKEDSA-N 0 0 181.182 1.224 10 0 ADAERN Cn1nccc1-c1cn2ccncc2n1 236095077 572625967 /nfs/dbraw/zinc/62/59/67/572625967.db2.gz JOEYNQSYHIABEH-UHFFFAOYSA-N 0 0 199.217 1.130 10 0 ADAERN CC(C)n1ncnc1CC1(CO)CC1 85037554 572625991 /nfs/dbraw/zinc/62/59/91/572625991.db2.gz GYECTQAUHQFLCP-UHFFFAOYSA-N 0 0 195.266 1.174 10 0 ADAERN CCOCc1nnc(CSC)o1 308077278 572625995 /nfs/dbraw/zinc/62/59/95/572625995.db2.gz DHALCRPQZVAGAN-UHFFFAOYSA-N 0 0 188.252 1.469 10 0 ADAERN CCN=C1COc2ccccc2N1 196842929 572626006 /nfs/dbraw/zinc/62/60/06/572626006.db2.gz RGSFKVFGYCBXDW-UHFFFAOYSA-N 0 0 176.219 1.719 10 0 ADAERN CC1C[NH+](CC[C@H](C)C(=O)[O-])C1 87634719 572627440 /nfs/dbraw/zinc/62/74/40/572627440.db2.gz ZZJPSGXUAYLFNC-QMMMGPOBSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1ccc([C@@]2(O)CCCOC2)cn1 70017443 572626059 /nfs/dbraw/zinc/62/60/59/572626059.db2.gz XZDMHBOHQNJSAC-LLVKDONJSA-N 0 0 193.246 1.388 10 0 ADAERN O[C@@]1(c2ccco2)CCCOC1 70017543 572626069 /nfs/dbraw/zinc/62/60/69/572626069.db2.gz JTCJAEVNGAIMBC-VIFPVBQESA-N 0 0 168.192 1.278 10 0 ADAERN OCC1(CC[C@H]2CCCO2)CC1 85037550 572626097 /nfs/dbraw/zinc/62/60/97/572626097.db2.gz NEVZARCXMTWKBW-SECBINFHSA-N 0 0 170.252 1.718 10 0 ADAERN CNCc1nnc([C@H]2CCCS2)o1 70005487 572626129 /nfs/dbraw/zinc/62/61/29/572626129.db2.gz BQKOQZOJBRHRIZ-ZCFIWIBFSA-N 0 0 199.279 1.357 10 0 ADAERN O[C@@]1(c2cccs2)CCCOC1 70017213 572626157 /nfs/dbraw/zinc/62/61/57/572626157.db2.gz OGJLZRJTTXUAKO-VIFPVBQESA-N 0 0 184.260 1.746 10 0 ADAERN O=C1CCC[C@H]2CC=C[C@@H]12 196843675 572626175 /nfs/dbraw/zinc/62/61/75/572626175.db2.gz JZSWMMDOSYZUFD-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN CCCCC[S@@](=O)CC(=O)OC 115480126 572626190 /nfs/dbraw/zinc/62/61/90/572626190.db2.gz FELZQPULQKQMIY-LBPRGKRZSA-N 0 0 192.280 1.098 10 0 ADAERN CC1=C(C)[C@@H](O)C[C@@H]1C 196844543 572626195 /nfs/dbraw/zinc/62/61/95/572626195.db2.gz FQIHANRFBAXWKX-XNCJUZBTSA-N 0 0 126.199 1.724 10 0 ADAERN CC(C)[C@]1(O)CCCOC1 70017028 572626240 /nfs/dbraw/zinc/62/62/40/572626240.db2.gz CDGRCUADTKQCAG-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN CC[NH+](CC)CC[C@H](C)C(=O)[O-] 87634721 572626269 /nfs/dbraw/zinc/62/62/69/572626269.db2.gz VOFHDNOALCMYRO-QMMMGPOBSA-N 0 0 173.256 1.439 10 0 ADAERN C[C@@H](CCNc1cc[nH+]cc1)C(=O)[O-] 87633494 572626277 /nfs/dbraw/zinc/62/62/77/572626277.db2.gz JPMGQKNKNJDXRW-QMMMGPOBSA-N 0 0 194.234 1.604 10 0 ADAERN COc1cc(O)cc(Cl)c1N 196846961 572626343 /nfs/dbraw/zinc/62/63/43/572626343.db2.gz AFMSYZSOWMICAP-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN C[C@H](CC[NH+]1CCCCCC1)C(=O)[O-] 87634735 572626352 /nfs/dbraw/zinc/62/63/52/572626352.db2.gz XAEJHZMSMRMSEL-SNVBAGLBSA-N 0 0 199.294 1.973 10 0 ADAERN CC[C@@H](C)[NH2+]CC[C@H](C)C(=O)[O-] 87634754 572626357 /nfs/dbraw/zinc/62/63/57/572626357.db2.gz GESFISRCGXDWPK-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN COc1cccc2c1[C@H](O)[C@H](C)C2 196845330 572626360 /nfs/dbraw/zinc/62/63/60/572626360.db2.gz KQAJFOAOBNSMHF-RDDDGLTNSA-N 0 0 178.231 1.921 10 0 ADAERN CCC(CC)[NH2+]CC[C@@H](C)C(=O)[O-] 87634730 572626423 /nfs/dbraw/zinc/62/64/23/572626423.db2.gz RKEJTZNXCRGACA-MRVPVSSYSA-N 0 0 187.283 1.875 10 0 ADAERN Cc1cccc([C@]2(O)CCCOC2)c1 70017461 572626429 /nfs/dbraw/zinc/62/64/29/572626429.db2.gz OEYADQOTMUXESK-LBPRGKRZSA-N 0 0 192.258 1.993 10 0 ADAERN C[C@H]1CNC(=O)[C@@H]1c1ccccc1 196854128 572626430 /nfs/dbraw/zinc/62/64/30/572626430.db2.gz NGXGMQORTWWYIU-WPRPVWTQSA-N 0 0 175.231 1.536 10 0 ADAERN CC1C[NH+](CC[C@@H](C)C(=O)[O-])C1 87634718 572626408 /nfs/dbraw/zinc/62/64/08/572626408.db2.gz ZZJPSGXUAYLFNC-MRVPVSSYSA-N 0 0 171.240 1.049 10 0 ADAERN CSCCOC(=O)C1CC(C)C1 308077206 572626437 /nfs/dbraw/zinc/62/64/37/572626437.db2.gz DFUIDKYVVDTGSH-UHFFFAOYSA-N 0 0 188.292 1.939 10 0 ADAERN O[C@]1(C2CCCC2)CCCOC1 70017451 572626452 /nfs/dbraw/zinc/62/64/52/572626452.db2.gz OVCUIAQWFFQFDU-SNVBAGLBSA-N 0 0 170.252 1.718 10 0 ADAERN CSCCC1(O)CC1 70005958 572626493 /nfs/dbraw/zinc/62/64/93/572626493.db2.gz FFGDUSIUMPHJEU-UHFFFAOYSA-N 0 0 132.228 1.264 10 0 ADAERN COc1cc(O)cc(SC)c1O 196842520 572626498 /nfs/dbraw/zinc/62/64/98/572626498.db2.gz QCZGEELFGLRZNZ-UHFFFAOYSA-N 0 0 186.232 1.828 10 0 ADAERN CNC(=O)C[C@@H](C)[Si](C)(C)C 196856208 572626509 /nfs/dbraw/zinc/62/65/09/572626509.db2.gz ZWWOBXVFSLBYHI-SSDOTTSWSA-N 0 0 173.332 1.851 10 0 ADAERN CC(C)C1C[NH+](CC[C@@H](C)C(=O)[O-])C1 87634768 572626512 /nfs/dbraw/zinc/62/65/12/572626512.db2.gz ZLMIWQXPIHOERU-SECBINFHSA-N 0 0 199.294 1.685 10 0 ADAERN CCC[C@@]1(O)CCCOC1 70017090 572626517 /nfs/dbraw/zinc/62/65/17/572626517.db2.gz NBOBFEYQGVHIMO-MRVPVSSYSA-N 0 0 144.214 1.328 10 0 ADAERN CC[C@H](C)[NH2+]CC[C@H](C)C(=O)[O-] 87634755 572626522 /nfs/dbraw/zinc/62/65/22/572626522.db2.gz GESFISRCGXDWPK-YUMQZZPRSA-N 0 0 173.256 1.485 10 0 ADAERN O[C@@]1(c2ccccc2F)CCCOC1 70017093 572626531 /nfs/dbraw/zinc/62/65/31/572626531.db2.gz OOMRISZFTVSIFZ-NSHDSACASA-N 0 0 196.221 1.824 10 0 ADAERN O=C1CCC[C@@H]2CC=C[C@H]12 196843640 572626532 /nfs/dbraw/zinc/62/65/32/572626532.db2.gz JZSWMMDOSYZUFD-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN CNC(=O)/C=C/[Si](C)(C)C 196856112 572626567 /nfs/dbraw/zinc/62/65/67/572626567.db2.gz CVNBFLPZOHXBMN-AATRIKPKSA-N 0 0 157.289 1.166 10 0 ADAERN COCC[C@@H](CO)Cc1ccccc1 85038713 572626577 /nfs/dbraw/zinc/62/65/77/572626577.db2.gz LMIIACOFJVFYFA-GFCCVEGCSA-N 0 0 194.274 1.874 10 0 ADAERN O=Cc1cccc(CCCO)c1 115651180 572626581 /nfs/dbraw/zinc/62/65/81/572626581.db2.gz HUHXDKJSGOWEIL-UHFFFAOYSA-N 0 0 164.204 1.424 10 0 ADAERN CC1=C(C)[C@H](O)C[C@@H]1C 196844570 572626592 /nfs/dbraw/zinc/62/65/92/572626592.db2.gz FQIHANRFBAXWKX-YLWLKBPMSA-N 0 0 126.199 1.724 10 0 ADAERN CCC1C[NH+](CC[C@@H](C)C(=O)[O-])C1 87634750 572626598 /nfs/dbraw/zinc/62/65/98/572626598.db2.gz QARWCUIGHDIYHR-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN CCn1nc(C)cc1CC1(CO)CC1 85037393 572626599 /nfs/dbraw/zinc/62/65/99/572626599.db2.gz ICPIDEVBGOIKSV-UHFFFAOYSA-N 0 0 194.278 1.526 10 0 ADAERN C[C@@H](CC[NH+]1CC2(CCC2)C1)C(=O)[O-] 87634758 572626602 /nfs/dbraw/zinc/62/66/02/572626602.db2.gz JYVDPNOVSIUFLZ-VIFPVBQESA-N 0 0 197.278 1.583 10 0 ADAERN CCOCCC(=O)OC/C=C\Cl 308077391 572626630 /nfs/dbraw/zinc/62/66/30/572626630.db2.gz DKBAGCPFVNOEKE-HYXAFXHYSA-N 0 0 192.642 1.709 10 0 ADAERN C[C@@H]1CNC(=O)[C@@H]1c1ccccc1 196854115 572626646 /nfs/dbraw/zinc/62/66/46/572626646.db2.gz NGXGMQORTWWYIU-SCZZXKLOSA-N 0 0 175.231 1.536 10 0 ADAERN CC1CC[NH+](CC[C@H](C)C(=O)[O-])CC1 87634725 572626672 /nfs/dbraw/zinc/62/66/72/572626672.db2.gz BOERTYITDJPUAT-JTQLQIEISA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)C[C@]1(O)CCCOC1 70017617 572626692 /nfs/dbraw/zinc/62/66/92/572626692.db2.gz ZLLUQRMEHHDCHP-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN O=C1N=NC(c2cccc(F)c2F)O1 70030587 572627467 /nfs/dbraw/zinc/62/74/67/572627467.db2.gz JWPKPWGTXUUIKN-UHFFFAOYSA-N 0 0 198.128 1.720 10 0 ADAERN CCC1C[NH+](CC[C@H](C)C(=O)[O-])C1 87634751 572626698 /nfs/dbraw/zinc/62/66/98/572626698.db2.gz QARWCUIGHDIYHR-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN CCCC1C[NH+](CC[C@@H](C)C(=O)[O-])C1 87634760 572626702 /nfs/dbraw/zinc/62/67/02/572626702.db2.gz LGEFVDOMTZOQOQ-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN COC[NH2+][C@H](C)c1ccccc1 115685035 572626713 /nfs/dbraw/zinc/62/67/13/572626713.db2.gz DMLOBKQWHYLCMQ-SECBINFHSA-N 0 0 165.236 1.941 10 0 ADAERN CCC[C@H](CO)COC(C)C 307850656 572626742 /nfs/dbraw/zinc/62/67/42/572626742.db2.gz AXOFANIOFSLMNF-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN Oc1cccc(N[C@H]2CCCOC2)c1 70011810 572626743 /nfs/dbraw/zinc/62/67/43/572626743.db2.gz WHGABFIFEUKOLZ-JTQLQIEISA-N 0 0 193.246 1.983 10 0 ADAERN C[C@@H](CC[NH+]1CC(C)(C)C1)C(=O)[O-] 87634756 572626753 /nfs/dbraw/zinc/62/67/53/572626753.db2.gz SFZXVVIKYFHTQI-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H]1CC[N@H+]1CC[C@@H](C)C(=O)[O-] 87634763 572626757 /nfs/dbraw/zinc/62/67/57/572626757.db2.gz RAELJDAHLIWHCD-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)C[C@@H]([NH3+])c1cc(=O)[n-]o1 74311143 572626864 /nfs/dbraw/zinc/62/68/64/572626864.db2.gz KBJBNXWFHIVMDL-ZCFIWIBFSA-N 0 0 170.212 1.426 10 0 ADAERN C[C@@H](CC[NH+]1CCCCCC1)C(=O)[O-] 87634734 572626894 /nfs/dbraw/zinc/62/68/94/572626894.db2.gz XAEJHZMSMRMSEL-JTQLQIEISA-N 0 0 199.294 1.973 10 0 ADAERN COC(=O)/C(C)=C\c1ccc(N)cc1 115684557 572626909 /nfs/dbraw/zinc/62/69/09/572626909.db2.gz MXMQNLDJVNJNSO-FPLPWBNLSA-N 0 0 191.230 1.845 10 0 ADAERN CCC[C@H](CO)CCOCC 85040234 572626920 /nfs/dbraw/zinc/62/69/20/572626920.db2.gz FWLNYCIMHHSLOI-VIFPVBQESA-N 0 0 160.257 1.822 10 0 ADAERN Cn1cnc([C@H](CC2CCC2)NN)c1 236100348 572627746 /nfs/dbraw/zinc/62/77/46/572627746.db2.gz GHOGNLOCHPUIDZ-VIFPVBQESA-N 0 0 194.282 1.115 10 0 ADAERN CC(C)C1C[NH+](CC[C@H](C)C(=O)[O-])C1 87634769 572626933 /nfs/dbraw/zinc/62/69/33/572626933.db2.gz ZLMIWQXPIHOERU-VIFPVBQESA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@@](C)(CO)CCCOC 85039650 572627829 /nfs/dbraw/zinc/62/78/29/572627829.db2.gz AFSAVGLXSBCGLS-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN Cc1cc(N)cc(C)c1N(C)C 196849413 572626950 /nfs/dbraw/zinc/62/69/50/572626950.db2.gz YNMYYWXXPSUOSJ-UHFFFAOYSA-N 0 0 164.252 1.952 10 0 ADAERN O=CNCC(=O)c1ccc(Cl)cc1 196845067 572626955 /nfs/dbraw/zinc/62/69/55/572626955.db2.gz DGFXIORMMWJNDB-UHFFFAOYSA-N 0 0 197.621 1.269 10 0 ADAERN CNC(=O)C[C@H](C)[Si](C)(C)C 196856199 572627023 /nfs/dbraw/zinc/62/70/23/572627023.db2.gz ZWWOBXVFSLBYHI-ZETCQYMHSA-N 0 0 173.332 1.851 10 0 ADAERN CC(C)[NH2+]CC[C@H](C)C(=O)[O-] 87634727 572627040 /nfs/dbraw/zinc/62/70/40/572627040.db2.gz SULDGSJZMAFBRL-ZETCQYMHSA-N 0 0 159.229 1.095 10 0 ADAERN COc1cccc2c1[C@@H](O)[C@H](C)C2 196845350 572627045 /nfs/dbraw/zinc/62/70/45/572627045.db2.gz KQAJFOAOBNSMHF-HQJQHLMTSA-N 0 0 178.231 1.921 10 0 ADAERN CCC[C@@H](CO)CCOCCOC 85040212 572627047 /nfs/dbraw/zinc/62/70/47/572627047.db2.gz FDSUMWHZLMCOAT-SNVBAGLBSA-N 0 0 190.283 1.448 10 0 ADAERN CC1=C(C)[C@H](C)C[C@@H]1O 196844528 572627048 /nfs/dbraw/zinc/62/70/48/572627048.db2.gz FQIHANRFBAXWKX-XRGYYRRGSA-N 0 0 126.199 1.724 10 0 ADAERN CC[C@@](C)(CO)Cc1cnn(C)c1 85039302 572627079 /nfs/dbraw/zinc/62/70/79/572627079.db2.gz LIDDAGSKSXXDNO-SNVBAGLBSA-N 0 0 182.267 1.371 10 0 ADAERN C[C@H](CC[NH+]1CC2(CC2)C1)C(=O)[O-] 87634747 572627100 /nfs/dbraw/zinc/62/71/00/572627100.db2.gz WERZFPFUSGKRRN-MRVPVSSYSA-N 0 0 183.251 1.193 10 0 ADAERN C[C@@H](CC[NH+]1CC2(CC2)C1)C(=O)[O-] 87634746 572627108 /nfs/dbraw/zinc/62/71/08/572627108.db2.gz WERZFPFUSGKRRN-QMMMGPOBSA-N 0 0 183.251 1.193 10 0 ADAERN C[C@@H](CCO)C(=O)c1ccccc1O 238366335 572627114 /nfs/dbraw/zinc/62/71/14/572627114.db2.gz BKEJBAWSVPBLMO-QMMMGPOBSA-N 0 0 194.230 1.593 10 0 ADAERN O=C1OCCN=C1Nc1ccccc1 196845972 572627122 /nfs/dbraw/zinc/62/71/22/572627122.db2.gz IONFTXMNMPADIG-UHFFFAOYSA-N 0 0 190.202 1.054 10 0 ADAERN C[N@@H+]1CC[C@@H]2[C@@H](C(=O)[O-])CCC[C@@H]21 107129591 572627124 /nfs/dbraw/zinc/62/71/24/572627124.db2.gz NIMLYGMRRUNEMX-VGMNWLOBSA-N 0 0 183.251 1.191 10 0 ADAERN CC[C@](C)(CO)CCCOC 85039649 572627138 /nfs/dbraw/zinc/62/71/38/572627138.db2.gz AFSAVGLXSBCGLS-VIFPVBQESA-N 0 0 160.257 1.822 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])c1cc(=O)[n-]o1 74311146 572627139 /nfs/dbraw/zinc/62/71/39/572627139.db2.gz LPLHJHVQHWHPRW-XNCJUZBTSA-N 0 0 170.212 1.426 10 0 ADAERN C[C@H]1CCC[N@H+]1CC[C@@H](C)C(=O)[O-] 87634767 572627175 /nfs/dbraw/zinc/62/71/75/572627175.db2.gz ZZLTVIZXMJWWGU-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[C@@H](CO)CCOCC 85040236 572627209 /nfs/dbraw/zinc/62/72/09/572627209.db2.gz FWLNYCIMHHSLOI-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN CC(=O)[C@](C)(CO)Cc1ccccc1 115648845 572627217 /nfs/dbraw/zinc/62/72/17/572627217.db2.gz AJDHQFKZZIRUPH-LBPRGKRZSA-N 0 0 192.258 1.817 10 0 ADAERN CC1=C(C)[C@H](O)C[C@H]1C 196844557 572627221 /nfs/dbraw/zinc/62/72/21/572627221.db2.gz FQIHANRFBAXWKX-SVGQVSJJSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@](O)(c1cnccn1)C(F)(F)F 70026443 572627224 /nfs/dbraw/zinc/62/72/24/572627224.db2.gz VYBCEMHREUKWOE-LURJTMIESA-N 0 0 192.140 1.246 10 0 ADAERN COC(=O)C[C@H](O)CCCC1CC1 238367350 572627246 /nfs/dbraw/zinc/62/72/46/572627246.db2.gz FFXXGIBPAYLXCV-SECBINFHSA-N 0 0 186.251 1.491 10 0 ADAERN COC(=O)C(C)(C)/C=C/CCO 238366261 572628008 /nfs/dbraw/zinc/62/80/08/572628008.db2.gz FNXAYXTUVJIDRO-GQCTYLIASA-N 0 0 172.224 1.124 10 0 ADAERN O[C@@H]1OCCC12CCCCC2 196852207 572627276 /nfs/dbraw/zinc/62/72/76/572627276.db2.gz PQGJSUDFTBHQIS-MRVPVSSYSA-N 0 0 156.225 1.676 10 0 ADAERN CC(C)n1ccc(CC2(CO)CC2)n1 85037419 572627301 /nfs/dbraw/zinc/62/73/01/572627301.db2.gz IZRZKCWMRIBZCB-UHFFFAOYSA-N 0 0 194.278 1.779 10 0 ADAERN CC(C)n1ncnc1C[C@H](C)CO 85039076 572627345 /nfs/dbraw/zinc/62/73/45/572627345.db2.gz RCFKFPLXEOXWJK-QMMMGPOBSA-N 0 0 183.255 1.030 10 0 ADAERN C[C@@H]1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 251742989 572627361 /nfs/dbraw/zinc/62/73/61/572627361.db2.gz ROBALWAWCMMWPH-SFYZADRCSA-N 0 0 171.240 1.049 10 0 ADAERN CC(C)Cn1ncnc1C[C@@H](C)CO 85039077 572627506 /nfs/dbraw/zinc/62/75/06/572627506.db2.gz PVJWPCOZWCVGBS-SECBINFHSA-N 0 0 197.282 1.105 10 0 ADAERN C[C@H](CC[NH+]1CC2(CCC2)C1)C(=O)[O-] 87634759 572628350 /nfs/dbraw/zinc/62/83/50/572628350.db2.gz JYVDPNOVSIUFLZ-SECBINFHSA-N 0 0 197.278 1.583 10 0 ADAERN CCC(CC)(CO)CCOC 85038485 572627548 /nfs/dbraw/zinc/62/75/48/572627548.db2.gz OXJZDXHOYSLVLL-UHFFFAOYSA-N 0 0 160.257 1.822 10 0 ADAERN C[C@@H](CCO)C(=O)Cc1ccccc1 238366177 572627568 /nfs/dbraw/zinc/62/75/68/572627568.db2.gz IWNCRWWKSJVMPG-JTQLQIEISA-N 0 0 192.258 1.817 10 0 ADAERN CCC(CC)(CO)Cc1cnn(C)c1 85038480 572627577 /nfs/dbraw/zinc/62/75/77/572627577.db2.gz HQPDVUCVKDIMPP-UHFFFAOYSA-N 0 0 196.294 1.761 10 0 ADAERN CN=C1COc2ccccc2N1 196842910 572627615 /nfs/dbraw/zinc/62/76/15/572627615.db2.gz ZEDANVKCSZELLX-UHFFFAOYSA-N 0 0 162.192 1.328 10 0 ADAERN C/C=C/C[NH+]1CCC(CO)CC1 47958908 572628277 /nfs/dbraw/zinc/62/82/77/572628277.db2.gz VVDMWBRUFAQLDM-NSCUHMNNSA-N 0 0 169.268 1.267 10 0 ADAERN C[C@H](CC[NH+]1CC(C)(C)C1)C(=O)[O-] 87634757 572628278 /nfs/dbraw/zinc/62/82/78/572628278.db2.gz SFZXVVIKYFHTQI-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN O=C1CCC[C@H]2CC=C[C@H]12 196843652 572628279 /nfs/dbraw/zinc/62/82/79/572628279.db2.gz JZSWMMDOSYZUFD-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN COc1cccc2c1[C@@H](O)[C@@H](C)C2 196845358 572627655 /nfs/dbraw/zinc/62/76/55/572627655.db2.gz KQAJFOAOBNSMHF-CPCISQLKSA-N 0 0 178.231 1.921 10 0 ADAERN COc1cc(C=O)c(N=O)cc1OC 115692887 572627657 /nfs/dbraw/zinc/62/76/57/572627657.db2.gz LVABCSLTQQHCFS-UHFFFAOYSA-N 0 0 195.174 1.914 10 0 ADAERN CC[C@@](C)(CO)CCOCCOC 85039350 572627675 /nfs/dbraw/zinc/62/76/75/572627675.db2.gz HZNDUUZSLJAGAH-SNVBAGLBSA-N 0 0 190.283 1.448 10 0 ADAERN O=C1CCC[C@H](c2ccccc2)[C@H]1O 196841603 572627679 /nfs/dbraw/zinc/62/76/79/572627679.db2.gz VATUBJSUZQKCPX-ZYHUDNBSSA-N 0 0 190.242 1.884 10 0 ADAERN CC[C@@H](CC(C)C)[C@@H](COC)NN 308078626 572627683 /nfs/dbraw/zinc/62/76/83/572627683.db2.gz YWLGCSQMQLNZHC-VHSXEESVSA-N 0 0 188.315 1.537 10 0 ADAERN CC[NH+](CC)CC[C@@H](C)C(=O)[O-] 87634720 572627686 /nfs/dbraw/zinc/62/76/86/572627686.db2.gz VOFHDNOALCMYRO-MRVPVSSYSA-N 0 0 173.256 1.439 10 0 ADAERN CC[C@H](CC(C)C)[C@@H](COC)NN 308078622 572627697 /nfs/dbraw/zinc/62/76/97/572627697.db2.gz YWLGCSQMQLNZHC-NXEZZACHSA-N 0 0 188.315 1.537 10 0 ADAERN COCCOCC[C@H](O)C(C)C 70028731 572627728 /nfs/dbraw/zinc/62/77/28/572627728.db2.gz GLEBVOSLTUCOHF-VIFPVBQESA-N 0 0 176.256 1.056 10 0 ADAERN CCn1nc(C)cc1C[C@@H](C)CO 85038872 572627732 /nfs/dbraw/zinc/62/77/32/572627732.db2.gz RRNLJVDHVWAXNL-MRVPVSSYSA-N 0 0 182.267 1.382 10 0 ADAERN CC[C@@H](C)[NH2+]CC[C@@H](C)C(=O)[O-] 87634752 572627734 /nfs/dbraw/zinc/62/77/34/572627734.db2.gz GESFISRCGXDWPK-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN CCn1nc(C(N)=O)cc1CC(C)C 115622112 572627760 /nfs/dbraw/zinc/62/77/60/572627760.db2.gz ISKNGBCUUCVCBR-UHFFFAOYSA-N 0 0 195.266 1.200 10 0 ADAERN CC[C@@H](O)c1nccs1 34743846 572627763 /nfs/dbraw/zinc/62/77/63/572627763.db2.gz VRCSHNZIEDOOBA-RXMQYKEDSA-N 0 0 143.211 1.587 10 0 ADAERN CC(C)n1ccc(C[C@@H](C)CO)n1 85038915 572627771 /nfs/dbraw/zinc/62/77/71/572627771.db2.gz IBIIWUVCWWMGNQ-SECBINFHSA-N 0 0 182.267 1.635 10 0 ADAERN CC[C@H](CC(C)C)[C@H](COC)NN 308078627 572627776 /nfs/dbraw/zinc/62/77/76/572627776.db2.gz YWLGCSQMQLNZHC-ZJUUUORDSA-N 0 0 188.315 1.537 10 0 ADAERN CO[C@@H](C)C(C)(C(C)=O)C(C)=O 238366199 572627780 /nfs/dbraw/zinc/62/77/80/572627780.db2.gz PCNKFRSYWMNOJT-QMMMGPOBSA-N 0 0 172.224 1.206 10 0 ADAERN CCCCC[C@@H]1NC(=O)[C@H](O)[C@H]1C 308078727 572627795 /nfs/dbraw/zinc/62/77/95/572627795.db2.gz MJNLEVQONWGPBK-XHNCKOQMSA-N 0 0 185.267 1.062 10 0 ADAERN CCONCCC1CCOCC1 308078815 572627836 /nfs/dbraw/zinc/62/78/36/572627836.db2.gz HMJKHZDANGQZFB-UHFFFAOYSA-N 0 0 173.256 1.344 10 0 ADAERN CCNc1cc(-c2cnccn2)[nH]n1 70025266 572627875 /nfs/dbraw/zinc/62/78/75/572627875.db2.gz VQCUSSCEKWUAFV-UHFFFAOYSA-N 0 0 189.222 1.299 10 0 ADAERN C[C@H](CC[N@@H+]1CC[C@H]1C)C(=O)[O-] 87634762 572627917 /nfs/dbraw/zinc/62/79/17/572627917.db2.gz RAELJDAHLIWHCD-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN OCc1nc(-c2cnccn2)cs1 70025247 572628334 /nfs/dbraw/zinc/62/83/34/572628334.db2.gz FPOYUFOCTPORMU-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN COc1ncccc1C1(O)CCCC1 196842145 572627954 /nfs/dbraw/zinc/62/79/54/572627954.db2.gz IMXZBPFCYYXKGT-UHFFFAOYSA-N 0 0 193.246 1.852 10 0 ADAERN CCCC1C[NH+](CC[C@H](C)C(=O)[O-])C1 87634761 572627956 /nfs/dbraw/zinc/62/79/56/572627956.db2.gz LGEFVDOMTZOQOQ-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](CO)CCOCC(F)(F)F 85039001 572627958 /nfs/dbraw/zinc/62/79/58/572627958.db2.gz JOUQZGCNZBQZAM-LURJTMIESA-N 0 0 186.173 1.584 10 0 ADAERN CCC[C@H](CO)Cc1cc(C)nn1C 85040231 572628337 /nfs/dbraw/zinc/62/83/37/572628337.db2.gz RZICSXPWIWZYKK-JTQLQIEISA-N 0 0 196.294 1.680 10 0 ADAERN CCCCC[C@@H]1NC(=O)[C@@H](O)[C@H]1C 308078726 572628006 /nfs/dbraw/zinc/62/80/06/572628006.db2.gz MJNLEVQONWGPBK-CIUDSAMLSA-N 0 0 185.267 1.062 10 0 ADAERN Cc1nc(N(C)C)sc1CO 45206733 572628039 /nfs/dbraw/zinc/62/80/39/572628039.db2.gz GGXIFZKYHUCHSY-UHFFFAOYSA-N 0 0 172.253 1.010 10 0 ADAERN CO[C@H]1CCC/C(=C\[C@H](C)O)C1 234776878 572628100 /nfs/dbraw/zinc/62/81/00/572628100.db2.gz ZYCNIUHOXGKERQ-FMZBDOAWSA-N 0 0 170.252 1.883 10 0 ADAERN CCOCC[C@@](C)(CC)CO 85039374 572628124 /nfs/dbraw/zinc/62/81/24/572628124.db2.gz HFIDSWXCAJGXGL-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN COc1cccc2c1[C@H](O)[C@@H](C)C2 196845339 572628167 /nfs/dbraw/zinc/62/81/67/572628167.db2.gz KQAJFOAOBNSMHF-WRWORJQWSA-N 0 0 178.231 1.921 10 0 ADAERN CC[C@](C)(CO)C[C@H]1CCCO1 85039637 572628194 /nfs/dbraw/zinc/62/81/94/572628194.db2.gz JAAKHLRMDKAVRY-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CO[C@@H]1CCCC[C@@H]1[C@@H](C)O 234777863 572628208 /nfs/dbraw/zinc/62/82/08/572628208.db2.gz PSMXBZOHLFZRCD-IWSPIJDZSA-N 0 0 158.241 1.572 10 0 ADAERN CCc1cc(CC2(CO)CC2)n(C)n1 85037422 572628220 /nfs/dbraw/zinc/62/82/20/572628220.db2.gz BDVVPTZFFOMKQW-UHFFFAOYSA-N 0 0 194.278 1.298 10 0 ADAERN O=C1CCC[C@@H](c2ccccc2)[C@H]1O 196841596 572628222 /nfs/dbraw/zinc/62/82/22/572628222.db2.gz VATUBJSUZQKCPX-CMPLNLGQSA-N 0 0 190.242 1.884 10 0 ADAERN COc1ncccc1C(C)(C)O 196842133 572628295 /nfs/dbraw/zinc/62/82/95/572628295.db2.gz JAFRYXQCZQGHBV-UHFFFAOYSA-N 0 0 167.208 1.318 10 0 ADAERN C[C@H](CCNc1cc[nH+]cc1)C(=O)[O-] 87633496 572628306 /nfs/dbraw/zinc/62/83/06/572628306.db2.gz 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572629335 /nfs/dbraw/zinc/62/93/35/572629335.db2.gz OOLHVFSMPVBPKU-JTQLQIEISA-N 0 0 197.282 1.156 10 0 ADAERN C[C@@H](CCO)CCC(C)(C)CO 238366720 572629338 /nfs/dbraw/zinc/62/93/38/572629338.db2.gz CAJLNNLFXJOJES-SECBINFHSA-N 0 0 174.284 1.804 10 0 ADAERN CCc1cc(C[C@@H](C)CO)n(CC)n1 85038848 572629355 /nfs/dbraw/zinc/62/93/55/572629355.db2.gz KOQPDTMPXIFSIO-SECBINFHSA-N 0 0 196.294 1.636 10 0 ADAERN Cn1cnc([C@@H](O)CCC2CC2)c1 236098038 572629360 /nfs/dbraw/zinc/62/93/60/572629360.db2.gz GQUZMVBLUSAFSK-JTQLQIEISA-N 0 0 180.251 1.644 10 0 ADAERN CC(C)n1ncnc1C[C@@H](C)CO 85039073 572629402 /nfs/dbraw/zinc/62/94/02/572629402.db2.gz RCFKFPLXEOXWJK-MRVPVSSYSA-N 0 0 183.255 1.030 10 0 ADAERN CCC[C@H](CO)CCOCCOC 85040211 572629445 /nfs/dbraw/zinc/62/94/45/572629445.db2.gz FDSUMWHZLMCOAT-JTQLQIEISA-N 0 0 190.283 1.448 10 0 ADAERN O[C@H](C1=COCC1)c1ccns1 404469973 572629453 /nfs/dbraw/zinc/62/94/53/572629453.db2.gz LGLIWXKKECYWTM-MRVPVSSYSA-N 0 0 183.232 1.481 10 0 ADAERN COCCN(C)c1ccccc1O 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85038133 572629610 /nfs/dbraw/zinc/62/96/10/572629610.db2.gz OOLHVFSMPVBPKU-SNVBAGLBSA-N 0 0 197.282 1.156 10 0 ADAERN Cc1cncnc1-c1oncc1N 74308254 572631206 /nfs/dbraw/zinc/63/12/06/572631206.db2.gz BWFYKNGSJUDZRK-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCc1cc(C[C@H](C)CO)n(C)n1 85038930 572629644 /nfs/dbraw/zinc/62/96/44/572629644.db2.gz UAHTZBPNCGVZJY-QMMMGPOBSA-N 0 0 182.267 1.153 10 0 ADAERN CCc1cc(C[C@H](C)CO)n(CC)n1 85038852 572629647 /nfs/dbraw/zinc/62/96/47/572629647.db2.gz KOQPDTMPXIFSIO-VIFPVBQESA-N 0 0 196.294 1.636 10 0 ADAERN CC[C@](C)(CO)CCOCCOC 85039348 572629653 /nfs/dbraw/zinc/62/96/53/572629653.db2.gz HZNDUUZSLJAGAH-JTQLQIEISA-N 0 0 190.283 1.448 10 0 ADAERN C[C@@H](CO)C[S@](=O)c1ccccc1 238372342 572629757 /nfs/dbraw/zinc/62/97/57/572629757.db2.gz KPIBHRBZGAPWCV-ZANVPECISA-N 0 0 198.287 1.423 10 0 ADAERN O=Cc1cc(C2CCCC2)ncn1 74308074 572629759 /nfs/dbraw/zinc/62/97/59/572629759.db2.gz PTAAYLLRFBSMOE-UHFFFAOYSA-N 0 0 176.219 1.947 10 0 ADAERN 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ADAERN COC(=O)C[C@H](O)C=C1CCCCC1 238367218 572629875 /nfs/dbraw/zinc/62/98/75/572629875.db2.gz BQKWJHRYTCWLFX-SNVBAGLBSA-N 0 0 198.262 1.801 10 0 ADAERN Cc1ncoc1-c1c[nH]c(C=O)c1 74308336 572629879 /nfs/dbraw/zinc/62/98/79/572629879.db2.gz RTIIXNOIMARMFZ-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN O=C1CNCc2occ(C3CC3)c21 74307540 572629887 /nfs/dbraw/zinc/62/98/87/572629887.db2.gz PSMZQKIQSJRGLK-UHFFFAOYSA-N 0 0 177.203 1.443 10 0 ADAERN CCCCC[C@@]1(CO)CCOC1 85041952 572629942 /nfs/dbraw/zinc/62/99/42/572629942.db2.gz BZCSQZNMNPADON-JTQLQIEISA-N 0 0 172.268 1.966 10 0 ADAERN Cc1coc(-c2n[nH]cc2C=O)c1 74308325 572630061 /nfs/dbraw/zinc/63/00/61/572630061.db2.gz NCRMESMXWFYNLB-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN COc1ccccc1[C@@H](O)[C@H](C)CO 238367160 572630069 /nfs/dbraw/zinc/63/00/69/572630069.db2.gz JNOONTGZAPJLAA-KCJUWKMLSA-N 0 0 196.246 1.357 10 0 ADAERN Cc1[nH]nc(-c2cc(N)c[nH]2)c1C 74307998 572630077 /nfs/dbraw/zinc/63/00/77/572630077.db2.gz RTMWLZJTFVVQIX-UHFFFAOYSA-N 0 0 176.223 1.604 10 0 ADAERN Cc1n[nH]c(C)c1-c1[nH]ccc1N 74307988 572630090 /nfs/dbraw/zinc/63/00/90/572630090.db2.gz QTPUWTSXNJFFFY-UHFFFAOYSA-N 0 0 176.223 1.604 10 0 ADAERN Cc1ccnn1-c1ccc(C=O)o1 74308378 572630096 /nfs/dbraw/zinc/63/00/96/572630096.db2.gz ZQJPPHPGLXZDJN-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN CO[C@H](C(=O)NC(C)(C)C)C(C)C 238364760 572630100 /nfs/dbraw/zinc/63/01/00/572630100.db2.gz OZASCUDDXDFSTM-QMMMGPOBSA-N 0 0 187.283 1.572 10 0 ADAERN Cc1ncoc1-c1ccc(N)nn1 74308300 572630109 /nfs/dbraw/zinc/63/01/09/572630109.db2.gz NBTZLLCHVDBIBB-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1oc(C=O)cc1-n1ccnc1 74308359 572630148 /nfs/dbraw/zinc/63/01/48/572630148.db2.gz LWLIDQCKIZTTIL-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN CCOCCC[C@H](CC)CO 85041460 572630153 /nfs/dbraw/zinc/63/01/53/572630153.db2.gz UKZVMUNUPZRJGL-VIFPVBQESA-N 0 0 160.257 1.822 10 0 ADAERN C[C@@H](CO)C[S@@](=O)c1ccccc1 238372303 572630170 /nfs/dbraw/zinc/63/01/70/572630170.db2.gz KPIBHRBZGAPWCV-TVQRCGJNSA-N 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0 0 176.223 1.167 10 0 ADAERN Cc1cc(C2([NH3+])CC=CC2)ncn1 74308608 572630247 /nfs/dbraw/zinc/63/02/47/572630247.db2.gz HDCQSGJBBXIHLQ-UHFFFAOYSA-N 0 0 175.235 1.289 10 0 ADAERN Cc1cnc(-c2cc[nH]c2C=O)o1 74308382 572630259 /nfs/dbraw/zinc/63/02/59/572630259.db2.gz IQNIPVWYRFFBOV-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1coc(-c2cc(C=O)[nH]n2)n1 74307756 572630229 /nfs/dbraw/zinc/63/02/29/572630229.db2.gz AHBNWRRDPSTXDR-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN Cc1cnc(-c2ccc(C=O)[nH]2)o1 74308340 572630278 /nfs/dbraw/zinc/63/02/78/572630278.db2.gz BXMONPCTOUDJPE-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1cnc(-c2n[nH]cc2C=O)o1 74307769 572630329 /nfs/dbraw/zinc/63/03/29/572630329.db2.gz FVQPDCQEOQWCQG-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN Cc1cc(C=O)oc1-n1ccnc1 74308360 572630332 /nfs/dbraw/zinc/63/03/32/572630332.db2.gz NDVMBWKUVSEINK-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN CC(=O)[C@@H](C)CC[C@@H](CO)C(C)=O 238372273 572630376 /nfs/dbraw/zinc/63/03/76/572630376.db2.gz DPGKXGCMWRRMMV-XVKPBYJWSA-N 0 0 186.251 1.189 10 0 ADAERN Cc1cc(C=O)oc1-n1cccn1 74308375 572630425 /nfs/dbraw/zinc/63/04/25/572630425.db2.gz MNIWICSADBZAKZ-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN CCN1C(=O)NC(=O)C12CCCCC2 70064861 572630427 /nfs/dbraw/zinc/63/04/27/572630427.db2.gz CGTHGEPLWLTXRD-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN CO[C@H](C(=O)c1ccc[nH]1)C(C)C 238364780 572630429 /nfs/dbraw/zinc/63/04/29/572630429.db2.gz YLYQEOYKSVOEMH-JTQLQIEISA-N 0 0 181.235 1.868 10 0 ADAERN CCC/C=C/C(=O)NCCF 307850689 572630437 /nfs/dbraw/zinc/63/04/37/572630437.db2.gz AZFVNSQCUQTKOT-SNAWJCMRSA-N 0 0 159.204 1.428 10 0 ADAERN Cn1cnnc1C1Cc2ccccc2C1 236106503 572630446 /nfs/dbraw/zinc/63/04/46/572630446.db2.gz VAVIWPXTZOEZDY-UHFFFAOYSA-N 0 0 199.257 1.698 10 0 ADAERN O=Cc1cc2c([nH]1)O[C@@H]1CCC[C@@H]21 74307552 572630447 /nfs/dbraw/zinc/63/04/47/572630447.db2.gz BDLIRGSFCCKFHY-IONNQARKSA-N 0 0 177.203 1.856 10 0 ADAERN CCCCC[C@]1(CO)CCOC1 85041950 572630452 /nfs/dbraw/zinc/63/04/52/572630452.db2.gz BZCSQZNMNPADON-SNVBAGLBSA-N 0 0 172.268 1.966 10 0 ADAERN Cc1cc(-n2cccn2)oc1C=O 74308374 572630465 /nfs/dbraw/zinc/63/04/65/572630465.db2.gz IAAFTBMTWKEABK-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN Cc1ncc(-c2nc(C=O)c[nH]2)o1 74307669 572630467 /nfs/dbraw/zinc/63/04/67/572630467.db2.gz WIWRTBKRZGVGMM-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CO[C@@H](C)CCCCCCO 238367041 572630473 /nfs/dbraw/zinc/63/04/73/572630473.db2.gz XPHVMKCEFOSUOY-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN Cc1cc(-c2ccc(C=O)[nH]2)on1 74308389 572630479 /nfs/dbraw/zinc/63/04/79/572630479.db2.gz WGSNULCCAIWZOE-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CO[C@@H]1CCC[C@](O)(C2CC2)C1 234778803 572630483 /nfs/dbraw/zinc/63/04/83/572630483.db2.gz RBUMWMQICCMHRY-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN COCCC[C@@H](CO)C(C)C 85040974 572630499 /nfs/dbraw/zinc/63/04/99/572630499.db2.gz ABAURFSJLSORGL-VIFPVBQESA-N 0 0 160.257 1.678 10 0 ADAERN O=C1C[C@H](CO)CN1CC1CCCC1 70053367 572630503 /nfs/dbraw/zinc/63/05/03/572630503.db2.gz OGEFYYUJCSTJMN-JTQLQIEISA-N 0 0 197.278 1.017 10 0 ADAERN Cc1conc1-c1n[nH]cc1C=O 74307768 572630559 /nfs/dbraw/zinc/63/05/59/572630559.db2.gz AYAZTDPNTMXHHG-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CC[C@@H](CO)Cc1cc(C)nn1CC 85041253 572630565 /nfs/dbraw/zinc/63/05/65/572630565.db2.gz RYAUAGLXGVBSLU-SNVBAGLBSA-N 0 0 196.294 1.772 10 0 ADAERN Cc1c(-c2cc(N)c[nH]2)cnn1C 74308002 572630576 /nfs/dbraw/zinc/63/05/76/572630576.db2.gz ZXCXGXIPPWSEQX-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN Cc1ncc(-c2n[nH]cc2C=O)o1 74307775 572630587 /nfs/dbraw/zinc/63/05/87/572630587.db2.gz CPIQVSHIHVLJEN-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN Cc1conc1-c1ccc(C=O)[nH]1 74308402 572631718 /nfs/dbraw/zinc/63/17/18/572631718.db2.gz IAYLHAAPHMBXAU-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1coc(-c2cc[nH]c2C=O)n1 74308383 572630591 /nfs/dbraw/zinc/63/05/91/572630591.db2.gz XUVZRROMKXGJGK-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CC[C@@H](C)C[C@@]1(CO)CCOC1 85041823 572630596 /nfs/dbraw/zinc/63/05/96/572630596.db2.gz NYVHDHXSEMOGKN-NXEZZACHSA-N 0 0 172.268 1.822 10 0 ADAERN CC(C)CC[C@]1(CO)CCOC1 85041785 572631943 /nfs/dbraw/zinc/63/19/43/572631943.db2.gz HMGOQCWFOGIZMH-SNVBAGLBSA-N 0 0 172.268 1.822 10 0 ADAERN Cc1cc(-c2cnncc2N)on1 74308236 572630610 /nfs/dbraw/zinc/63/06/10/572630610.db2.gz KBUHOPJSEQSSLL-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCCn1ncnc1C[C@@H](CC)CO 85041165 572630621 /nfs/dbraw/zinc/63/06/21/572630621.db2.gz PATCOOHWKBPZGM-SECBINFHSA-N 0 0 197.282 1.249 10 0 ADAERN Cc1ncc(-c2ccc(N)nn2)o1 74308298 572630642 /nfs/dbraw/zinc/63/06/42/572630642.db2.gz DEDCUTBSACHFJH-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1c(F)ccc2ccc(=NN)[nH]c12 70063970 572630669 /nfs/dbraw/zinc/63/06/69/572630669.db2.gz AUVLRXZDIFCRBB-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1cc(N)nc(-c2cnco2)n1 74308260 572630675 /nfs/dbraw/zinc/63/06/75/572630675.db2.gz ZYRZFCHMVUBENL-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=c1ccc2c(F)c(F)cc(F)c2[nH]1 70054963 572631721 /nfs/dbraw/zinc/63/17/21/572631721.db2.gz DOPXTLDJNPAFOV-UHFFFAOYSA-N 0 0 199.131 1.945 10 0 ADAERN O=Cc1cc2c([nH]1)O[C@@H]1CCC[C@H]21 74307555 572630688 /nfs/dbraw/zinc/63/06/88/572630688.db2.gz BDLIRGSFCCKFHY-VXNVDRBHSA-N 0 0 177.203 1.856 10 0 ADAERN Cc1cc(-c2[nH]ccc2N)n(C)n1 74307990 572630692 /nfs/dbraw/zinc/63/06/92/572630692.db2.gz DJVJALLHGGAKEJ-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN Cc1cccc(-c2nonc2N)n1 74308287 572632073 /nfs/dbraw/zinc/63/20/73/572632073.db2.gz PGXRTAJBGUWGQO-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(C)OCC[C@@]1(CO)CCOC1 85042047 572630730 /nfs/dbraw/zinc/63/07/30/572630730.db2.gz HCOXCTGQKKUJMQ-SNVBAGLBSA-N 0 0 188.267 1.201 10 0 ADAERN C=Cc1ccc([C@H](CO)[NH2+]C)cc1 238366445 572630756 /nfs/dbraw/zinc/63/07/56/572630756.db2.gz NAUBXLDGHGXFGU-NSHDSACASA-N 0 0 177.247 1.582 10 0 ADAERN Cc1cn2c(C)c(C=O)n(C)c2n1 74307534 572630785 /nfs/dbraw/zinc/63/07/85/572630785.db2.gz KUNXFRLKPKRFNO-UHFFFAOYSA-N 0 0 177.207 1.102 10 0 ADAERN Cc1cc(-c2oncc2N)ncn1 74308256 572630793 /nfs/dbraw/zinc/63/07/93/572630793.db2.gz ILHJSZUKNYFKQC-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=Cc1cn2c3c(nc2o1)CCC3 74308348 572630800 /nfs/dbraw/zinc/63/08/00/572630800.db2.gz HAYAESDDVWQFQX-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN C(=Cc1ccc[nH]1)c1cc[nH]n1 115754696 572630847 /nfs/dbraw/zinc/63/08/47/572630847.db2.gz RYTGQEUHMMXXMN-ARJAWSKDSA-N 0 0 159.192 1.908 10 0 ADAERN CO[C@H]1CCCC[C@@H]1n1nccc1N 234778849 572630869 /nfs/dbraw/zinc/63/08/69/572630869.db2.gz JEUDIWQNLQJUFL-IUCAKERBSA-N 0 0 195.266 1.595 10 0 ADAERN Cc1ccnc(OCC2CC2)c1N 70063168 572630898 /nfs/dbraw/zinc/63/08/98/572630898.db2.gz BGKDHGFXTGPLSR-UHFFFAOYSA-N 0 0 178.235 1.761 10 0 ADAERN Cc1coc(-c2ccc(C=O)[nH]2)n1 74308392 572630914 /nfs/dbraw/zinc/63/09/14/572630914.db2.gz MVVQMETZPCJWBD-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1ncc(N)c(-c2ncco2)n1 74308251 572630920 /nfs/dbraw/zinc/63/09/20/572630920.db2.gz POKNKGHIBUWDNW-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCn1ncnc1C[C@H](CO)C(C)C 85041064 572630930 /nfs/dbraw/zinc/63/09/30/572630930.db2.gz WKJIGYSSJYUPHT-SECBINFHSA-N 0 0 197.282 1.105 10 0 ADAERN CC[C@@H](CO)Cc1ncnn1C(C)C 85041549 572630936 /nfs/dbraw/zinc/63/09/36/572630936.db2.gz FOYPUNAFLPBNOH-SECBINFHSA-N 0 0 197.282 1.420 10 0 ADAERN Nc1c[nH]c2ccc3c(c12)OCO3 74308347 572630986 /nfs/dbraw/zinc/63/09/86/572630986.db2.gz VECFKRDTSPRSPT-UHFFFAOYSA-N 0 0 176.175 1.479 10 0 ADAERN CCOCCC[C@@]1(CO)CCOC1 85042021 572631010 /nfs/dbraw/zinc/63/10/10/572631010.db2.gz FZLGCFMJJCSQNA-JTQLQIEISA-N 0 0 188.267 1.202 10 0 ADAERN Cc1cnnc(-c2oncc2N)c1 74308245 572631026 /nfs/dbraw/zinc/63/10/26/572631026.db2.gz HKTMRJOCFJOVOT-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1nocc1-c1cc(C=O)n[nH]1 74307752 572631031 /nfs/dbraw/zinc/63/10/31/572631031.db2.gz XYBFKNSRHPRYLI-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN Cc1ccoc1-c1n[nH]cc1C=O 74308324 572631046 /nfs/dbraw/zinc/63/10/46/572631046.db2.gz JYZDEBUKJRPOBI-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1cnc(-c2ncncc2N)o1 74308250 572631069 /nfs/dbraw/zinc/63/10/69/572631069.db2.gz AXPKMFDXZPIVTG-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1ccc(-c2oncc2N)nn1 74308274 572631080 /nfs/dbraw/zinc/63/10/80/572631080.db2.gz ZPGNNNRAFYDGPM-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC[C@]1(C)C(=O)NC(=O)N1CC(C)C 70064783 572631087 /nfs/dbraw/zinc/63/10/87/572631087.db2.gz XPUGOGKWZCIMSL-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@H]1CCc2ncnc(C=O)c2C1 74308073 572631102 /nfs/dbraw/zinc/63/11/02/572631102.db2.gz AYXMCFZZGWQOLZ-ZETCQYMHSA-N 0 0 176.219 1.414 10 0 ADAERN CCCn1ncnc1C[C@H](CC)CO 85041167 572633160 /nfs/dbraw/zinc/63/31/60/572633160.db2.gz PATCOOHWKBPZGM-VIFPVBQESA-N 0 0 197.282 1.249 10 0 ADAERN CC(C)(C)N/C=C1\CCOC1=O 115824612 572631141 /nfs/dbraw/zinc/63/11/41/572631141.db2.gz JFHYBVPCBCMPEP-VOTSOKGWSA-N 0 0 169.224 1.205 10 0 ADAERN COc1nc(C)ccc1COC(C)=O 238372230 572631142 /nfs/dbraw/zinc/63/11/42/572631142.db2.gz QVHDTAHKKFBSBG-UHFFFAOYSA-N 0 0 195.218 1.462 10 0 ADAERN Cc1ncc(-c2ccc(C=O)[nH]2)o1 74308395 572631156 /nfs/dbraw/zinc/63/11/56/572631156.db2.gz ZUSFBQVGEWYIOH-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN O=C1OCCC1=CNc1ccccc1 115824528 572631162 /nfs/dbraw/zinc/63/11/62/572631162.db2.gz BKXNPYSVWOVZGX-HJWRWDBZSA-N 0 0 189.214 1.929 10 0 ADAERN CC[C@@H](CO)CC[C@@H]1CCCO1 85041540 572631165 /nfs/dbraw/zinc/63/11/65/572631165.db2.gz CBVKYQGSKVMOLD-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1ncoc1-c1cc[nH]c1C=O 74308380 572631166 /nfs/dbraw/zinc/63/11/66/572631166.db2.gz GINNNLOLOBNWMB-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CC[C@H](C)CN1C(=O)NC(=O)C1(C)C 70064744 572631176 /nfs/dbraw/zinc/63/11/76/572631176.db2.gz PZGDAJNYGJNAPG-ZETCQYMHSA-N 0 0 198.266 1.363 10 0 ADAERN COCCOCC[C@@H](CO)C(C)C 85040671 572631186 /nfs/dbraw/zinc/63/11/86/572631186.db2.gz FKZCJKGOKFJGHH-JTQLQIEISA-N 0 0 190.283 1.304 10 0 ADAERN Cc1ncc(N)c(-c2cnco2)n1 74308248 572631218 /nfs/dbraw/zinc/63/12/18/572631218.db2.gz MRTQKZMZWDBLOH-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC[C@H](CO)CCOCCOC 85041153 572631221 /nfs/dbraw/zinc/63/12/21/572631221.db2.gz LGLRBZBFKZRWKM-VIFPVBQESA-N 0 0 176.256 1.058 10 0 ADAERN COCCC[C@H](CO)C(C)C 85040977 572631228 /nfs/dbraw/zinc/63/12/28/572631228.db2.gz ABAURFSJLSORGL-SECBINFHSA-N 0 0 160.257 1.678 10 0 ADAERN Cc1ncoc1-c1cnncc1N 74308239 572631238 /nfs/dbraw/zinc/63/12/38/572631238.db2.gz BXNKBPCNFHJEFH-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=Cc1c[nH]nc1Cc1ccco1 74308388 572631255 /nfs/dbraw/zinc/63/12/55/572631255.db2.gz QXFHXLAVTSCJAO-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1cc(-c2[nH]ccc2N)nn1C 74307987 572631279 /nfs/dbraw/zinc/63/12/79/572631279.db2.gz WISQIKIYGREXAR-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN Cn1cc(CC(=O)CC2CCC2)nn1 236105663 572631289 /nfs/dbraw/zinc/63/12/89/572631289.db2.gz QFLCOCXZCGYXTR-UHFFFAOYSA-N 0 0 193.250 1.117 10 0 ADAERN Cc1nocc1-c1ccnc(N)n1 74308219 572631292 /nfs/dbraw/zinc/63/12/92/572631292.db2.gz LLEQIDVBCNYELX-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CNc1nccnc1CC(C)(C)OC 234513259 572631297 /nfs/dbraw/zinc/63/12/97/572631297.db2.gz IFKIPHMZAWIRPR-UHFFFAOYSA-N 0 0 195.266 1.486 10 0 ADAERN Cc1cc(-c2oncc2C=O)n[nH]1 74307662 572631298 /nfs/dbraw/zinc/63/12/98/572631298.db2.gz KWGATONGUBMOKX-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN COc1ccccc1[C@@H](O)[C@@H](C)CO 238367075 572631319 /nfs/dbraw/zinc/63/13/19/572631319.db2.gz JNOONTGZAPJLAA-KWQFWETISA-N 0 0 196.246 1.357 10 0 ADAERN Cc1ccc(C)n1-c1nc(N)c[nH]1 74308003 572631333 /nfs/dbraw/zinc/63/13/33/572631333.db2.gz PSYDPSSPAKWQCG-UHFFFAOYSA-N 0 0 176.223 1.399 10 0 ADAERN CO[C@@H](C)CC(=O)[C@@H](C)OC 238366610 572631357 /nfs/dbraw/zinc/63/13/57/572631357.db2.gz STDVQNFPMUSNIM-NKWVEPMBSA-N 0 0 160.213 1.015 10 0 ADAERN Nc1cnccc1CC(F)(F)F 74308417 572631374 /nfs/dbraw/zinc/63/13/74/572631374.db2.gz BNAKTGWRTLRRQT-UHFFFAOYSA-N 0 0 176.141 1.769 10 0 ADAERN Cc1cnc(-c2oncc2N)cn1 74308255 572631383 /nfs/dbraw/zinc/63/13/83/572631383.db2.gz OUSWFRBHDAFBGE-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1cc(-c2cc(C=O)[nH]n2)on1 74307641 572631395 /nfs/dbraw/zinc/63/13/95/572631395.db2.gz CULMWUKTHDLNJP-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CO[C@@H]1CCCC[C@@H]1n1nccc1N 234778835 572631408 /nfs/dbraw/zinc/63/14/08/572631408.db2.gz JEUDIWQNLQJUFL-DTWKUNHWSA-N 0 0 195.266 1.595 10 0 ADAERN CCn1cc(C[C@H](CO)C(C)C)cn1 85041049 572631419 /nfs/dbraw/zinc/63/14/19/572631419.db2.gz TUNIIYMSGDZPJT-LLVKDONJSA-N 0 0 196.294 1.710 10 0 ADAERN Cc1cc(-c2c[nH]c(C=O)c2)no1 74308334 572631422 /nfs/dbraw/zinc/63/14/22/572631422.db2.gz YLGCBWRAWDOLKF-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CC[C@@]1(C)C(=O)NC(=O)N1CC(C)C 70064784 572631432 /nfs/dbraw/zinc/63/14/32/572631432.db2.gz XPUGOGKWZCIMSL-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN CCOCC[C@@H](CO)C(C)C 85040696 572631492 /nfs/dbraw/zinc/63/14/92/572631492.db2.gz HPTPOZUVTDESMW-VIFPVBQESA-N 0 0 160.257 1.678 10 0 ADAERN CC(C)[C@H](CO)C[C@@H]1CCCO1 85040957 572631498 /nfs/dbraw/zinc/63/14/98/572631498.db2.gz VIDDNXJIVHUVPS-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN CCC[C@@H](CO)CCCOC 85040490 572631512 /nfs/dbraw/zinc/63/15/12/572631512.db2.gz FJQZTGWDQPHUPY-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN Cc1ncoc1-c1ccc(C=O)[nH]1 74308404 572631521 /nfs/dbraw/zinc/63/15/21/572631521.db2.gz NFSVVZRYOQFADO-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1ncc(-c2cc(C=O)[nH]n2)o1 74307750 572631525 /nfs/dbraw/zinc/63/15/25/572631525.db2.gz GZMRYYOXOGYKDH-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CO[C@@H](C)CC(=O)c1ccc(N)cc1 238366782 572631526 /nfs/dbraw/zinc/63/15/26/572631526.db2.gz KNLCDFPTBRAFKB-QMMMGPOBSA-N 0 0 193.246 1.877 10 0 ADAERN CC(C)(C)C(=O)CN1CCC(=O)CC1 48013839 572631547 /nfs/dbraw/zinc/63/15/47/572631547.db2.gz ZKYXSJVZXLVXAY-UHFFFAOYSA-N 0 0 197.278 1.267 10 0 ADAERN CCc1cc(O)cc2c1OCC2=O 714114801 572631550 /nfs/dbraw/zinc/63/15/50/572631550.db2.gz VVTQAKMRIHFWHC-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN CC(C)[C@@H](CO)C[C@@H]1CCCO1 85040959 572631608 /nfs/dbraw/zinc/63/16/08/572631608.db2.gz VIDDNXJIVHUVPS-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1oc(-n2ccnc2)cc1C=O 74308363 572631584 /nfs/dbraw/zinc/63/15/84/572631584.db2.gz ITSDQGREPDUOAL-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN Nc1ccc(CC(F)(F)F)nn1 74307798 572631593 /nfs/dbraw/zinc/63/15/93/572631593.db2.gz VBGXYJMULUMLDY-UHFFFAOYSA-N 0 0 177.129 1.164 10 0 ADAERN Cn1cnnc1C[C@@H](O)CC(C)(C)C 689747473 572631624 /nfs/dbraw/zinc/63/16/24/572631624.db2.gz VBRXSLXTEWFKTB-MRVPVSSYSA-N 0 0 197.282 1.155 10 0 ADAERN Cn1cnnc1C[C@H](O)CC(C)(C)C 689747479 572631651 /nfs/dbraw/zinc/63/16/51/572631651.db2.gz VBRXSLXTEWFKTB-QMMMGPOBSA-N 0 0 197.282 1.155 10 0 ADAERN C[C@@H]1CCc2ncnc(C=O)c2C1 74308071 572631654 /nfs/dbraw/zinc/63/16/54/572631654.db2.gz AYXMCFZZGWQOLZ-SSDOTTSWSA-N 0 0 176.219 1.414 10 0 ADAERN C[C@@H](O)c1ccoc1Cl 235270161 572631701 /nfs/dbraw/zinc/63/17/01/572631701.db2.gz JCQXHHXPWQLHJK-SCSAIBSYSA-N 0 0 146.573 1.986 10 0 ADAERN Cc1ccc(F)c2[nH]c(=NN)ccc12 70064000 572631708 /nfs/dbraw/zinc/63/17/08/572631708.db2.gz MIHDBSUSDBTGEY-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1oncc1-c1nc(C=O)c[nH]1 74307674 572631737 /nfs/dbraw/zinc/63/17/37/572631737.db2.gz IRXFUAQYNUEAQL-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CC(C)[C@@H](CO)C[C@H]1CCCO1 85040964 572631738 /nfs/dbraw/zinc/63/17/38/572631738.db2.gz VIDDNXJIVHUVPS-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1ccc(-c2nonc2N)cn1 74308284 572631754 /nfs/dbraw/zinc/63/17/54/572631754.db2.gz PVGJPOAUEYGFSM-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1ncoc1-c1cc(C=O)[nH]n1 74307761 572631757 /nfs/dbraw/zinc/63/17/57/572631757.db2.gz AVVGEAHXTUOTEI-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CC[C@@H](C)C[C@]1(CO)CCOC1 85041818 572631773 /nfs/dbraw/zinc/63/17/73/572631773.db2.gz NYVHDHXSEMOGKN-ZJUUUORDSA-N 0 0 172.268 1.822 10 0 ADAERN Cn1cnc([C@H](O)CCC2CC2)c1 236103712 572631850 /nfs/dbraw/zinc/63/18/50/572631850.db2.gz GQUZMVBLUSAFSK-SNVBAGLBSA-N 0 0 180.251 1.644 10 0 ADAERN Nc1c(-c2ccco2)cc[nH]c1=O 74308329 572631851 /nfs/dbraw/zinc/63/18/51/572631851.db2.gz HFAGYLLTDNLCFN-UHFFFAOYSA-N 0 0 176.175 1.217 10 0 ADAERN Cn1c(-c2ccco2)cnc1C=O 74308349 572631860 /nfs/dbraw/zinc/63/18/60/572631860.db2.gz LACWOQGQLAAJKH-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN COCC[C@@H](CO)c1ccccc1 85041572 572631861 /nfs/dbraw/zinc/63/18/61/572631861.db2.gz XLIVVTOKLJBFIF-NSHDSACASA-N 0 0 180.247 1.799 10 0 ADAERN COCc1cccc2ccc(N)nc12 70055351 572631862 /nfs/dbraw/zinc/63/18/62/572631862.db2.gz SNIUXTYNDYGMJF-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN O=Cc1cnc2o[nH]c(C3CC3)c1-2 74308316 572631865 /nfs/dbraw/zinc/63/18/65/572631865.db2.gz RUXLAJARYZNXOR-UHFFFAOYSA-N 0 0 176.175 1.846 10 0 ADAERN COCCOCC[C@H](CO)C(C)C 85040672 572631875 /nfs/dbraw/zinc/63/18/75/572631875.db2.gz FKZCJKGOKFJGHH-SNVBAGLBSA-N 0 0 190.283 1.304 10 0 ADAERN Cc1cnc(-c2cc(C=O)[nH]n2)o1 74307755 572631903 /nfs/dbraw/zinc/63/19/03/572631903.db2.gz NCYVWQZJHHMGBZ-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCC[C@@H](CO)C[C@@H]1CCCO1 85040474 572631914 /nfs/dbraw/zinc/63/19/14/572631914.db2.gz RQHYGCZBOUBNOK-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cnc(-c2nc(C=O)c[nH]2)o1 74307671 572631926 /nfs/dbraw/zinc/63/19/26/572631926.db2.gz SPSXNHFJIBPSAU-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN O=Cc1ccc(Cc2cocn2)[nH]1 74308398 572631947 /nfs/dbraw/zinc/63/19/47/572631947.db2.gz GTQVXAFPBXSMDR-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1nc(-c2cc(N)c[nH]2)[nH]c1C 74307999 572631963 /nfs/dbraw/zinc/63/19/63/572631963.db2.gz XVFVTLKEYPHUDQ-UHFFFAOYSA-N 0 0 176.223 1.604 10 0 ADAERN Cc1nccn1-c1coc(C=O)c1 74308356 572631995 /nfs/dbraw/zinc/63/19/95/572631995.db2.gz NHKHSCQQRWKHLR-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN CCCN1C(=O)NC(=O)[C@]1(C)CC 70064766 572631996 /nfs/dbraw/zinc/63/19/96/572631996.db2.gz BROBGBLNRCTMAN-VIFPVBQESA-N 0 0 184.239 1.117 10 0 ADAERN Cc1c[nH]nc1-c1cc(C=O)no1 74307764 572632005 /nfs/dbraw/zinc/63/20/05/572632005.db2.gz ATASRWZNRSLIQH-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN O=Cc1cc(Cc2ccco2)on1 74307795 572632914 /nfs/dbraw/zinc/63/29/14/572632914.db2.gz ZNHZUZZZVXHFCB-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN C[C@@H]1CCC[C@H]1N1C[C@H](CO)CC1=O 70053743 572632021 /nfs/dbraw/zinc/63/20/21/572632021.db2.gz JHYKQLVUGVNHFX-OPRDCNLKSA-N 0 0 197.278 1.016 10 0 ADAERN Cc1nn(C)cc1-c1cc(N)c[nH]1 74308001 572632027 /nfs/dbraw/zinc/63/20/27/572632027.db2.gz BJGVUBKOTJZRBX-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN O=Cc1cc[nH]c1Cc1cnoc1 74308312 572632035 /nfs/dbraw/zinc/63/20/35/572632035.db2.gz VOXKITDDJIWYBQ-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1cnn(-c2nccc(C)c2N)c1 70063056 572632037 /nfs/dbraw/zinc/63/20/37/572632037.db2.gz OENCVHMJPKRLFB-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC[C@@H](CO)CCOC(C)C 85041497 572632040 /nfs/dbraw/zinc/63/20/40/572632040.db2.gz JCFVZYZCEXEQQY-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CC[C@@H](CO)Cc1cnn(CC)c1 85041521 572632065 /nfs/dbraw/zinc/63/20/65/572632065.db2.gz REMADCJTHAJLNK-SECBINFHSA-N 0 0 182.267 1.464 10 0 ADAERN O=Cc1cc2c([nH]1)O[C@H]1CCC[C@@H]21 74307549 572632076 /nfs/dbraw/zinc/63/20/76/572632076.db2.gz BDLIRGSFCCKFHY-CBAPKCEASA-N 0 0 177.203 1.856 10 0 ADAERN O=Cc1cc[nH]c1Cc1cnco1 74308314 572632080 /nfs/dbraw/zinc/63/20/80/572632080.db2.gz KGTDUOLWDFHYHI-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1coc(-c2ccc(N)nn2)n1 74308301 572632085 /nfs/dbraw/zinc/63/20/85/572632085.db2.gz XHHBKDNCYGWXGN-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(C)/C=C\C(=O)NC(C)C 207688039 572632104 /nfs/dbraw/zinc/63/21/04/572632104.db2.gz IWQYAEBKQPRDFG-WAYWQWQTSA-N 0 0 155.241 1.723 10 0 ADAERN CCC[C@H](CO)Cc1cnn(CC)c1 85040561 572632122 /nfs/dbraw/zinc/63/21/22/572632122.db2.gz AQGYJINZMXEYCA-JTQLQIEISA-N 0 0 196.294 1.854 10 0 ADAERN CCC[C@H](CO)C[C@@H]1CCCO1 85040473 572632126 /nfs/dbraw/zinc/63/21/26/572632126.db2.gz RQHYGCZBOUBNOK-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1ccc(-c2nonc2N)nc1 74308282 572632154 /nfs/dbraw/zinc/63/21/54/572632154.db2.gz PPODHJWNRMXSAN-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1n[nH]cc1-c1oncc1C=O 74307766 572632207 /nfs/dbraw/zinc/63/22/07/572632207.db2.gz HLSGVRHMKYNWTB-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCOC(=O)C[C@H]1CC[C@H](O)CC1 115744816 572632265 /nfs/dbraw/zinc/63/22/65/572632265.db2.gz BPAISSGMOOLICG-DTORHVGOSA-N 0 0 186.251 1.491 10 0 ADAERN Cc1ncoc1-c1n[nH]cc1C=O 74307771 572632270 /nfs/dbraw/zinc/63/22/70/572632270.db2.gz XLBZYHUTUWVYKL-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN C[C@@H](CCO)N(C)c1ccccc1 238368025 572632275 /nfs/dbraw/zinc/63/22/75/572632275.db2.gz AQYJDALCRVMKCG-JTQLQIEISA-N 0 0 179.263 1.894 10 0 ADAERN COc1cc(C)c2[nH]c(=O)ccc2c1 70054961 572632278 /nfs/dbraw/zinc/63/22/78/572632278.db2.gz VANMCRMHHVHBGB-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN Cc1n[nH]cc1-c1cc(C=O)no1 74307762 572632286 /nfs/dbraw/zinc/63/22/86/572632286.db2.gz DBEQRLUHHMCJRV-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN Cc1cnoc1-c1cnncc1N 74308241 572632320 /nfs/dbraw/zinc/63/23/20/572632320.db2.gz SPFQGDWVTPNZCJ-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC[C@@H](CO)CC1CCOCC1 85041410 572632357 /nfs/dbraw/zinc/63/23/57/572632357.db2.gz VKUGHSUSUPSXQA-SECBINFHSA-N 0 0 172.268 1.822 10 0 ADAERN Cc1conc1-c1cc(C=O)n[nH]1 74307759 572632358 /nfs/dbraw/zinc/63/23/58/572632358.db2.gz KFWLPDZYYIFURL-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCC[C@@H](CO)Cc1cnn(CC)c1 85040563 572632373 /nfs/dbraw/zinc/63/23/73/572632373.db2.gz AQGYJINZMXEYCA-SNVBAGLBSA-N 0 0 196.294 1.854 10 0 ADAERN CC(C)[C@@H](CO)Cc1cnn(C)c1 85040627 572632416 /nfs/dbraw/zinc/63/24/16/572632416.db2.gz HPHRMCGAVBCSSW-SNVBAGLBSA-N 0 0 182.267 1.227 10 0 ADAERN O=C1C[C@@H](CO)CN1CC1CCCC1 70053366 572632432 /nfs/dbraw/zinc/63/24/32/572632432.db2.gz OGEFYYUJCSTJMN-SNVBAGLBSA-N 0 0 197.278 1.017 10 0 ADAERN Cc1cnc(-c2cnncc2N)o1 74308240 572632453 /nfs/dbraw/zinc/63/24/53/572632453.db2.gz DNJVIXCSRBQTBM-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN C/C=C\C[S@](=O)c1nccs1 307850790 572632456 /nfs/dbraw/zinc/63/24/56/572632456.db2.gz BDRRQHNRHSOGFE-QUCGXOGASA-N 0 0 187.289 1.827 10 0 ADAERN CCC[C@H](CO)C[C@H]1CCCO1 85040477 572632486 /nfs/dbraw/zinc/63/24/86/572632486.db2.gz RQHYGCZBOUBNOK-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)[C@H](CO)Cc1cscn1 85040743 572632490 /nfs/dbraw/zinc/63/24/90/572632490.db2.gz TYVOOXIJJAICCP-QMMMGPOBSA-N 0 0 185.292 1.950 10 0 ADAERN CC[C@H](CO)CC[C@H]1CCCO1 85041542 572632495 /nfs/dbraw/zinc/63/24/95/572632495.db2.gz CBVKYQGSKVMOLD-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCCOc1nc(C)ccc1CO 688709704 572632502 /nfs/dbraw/zinc/63/25/02/572632502.db2.gz IDWUBRLNTYEWEI-UHFFFAOYSA-N 0 0 181.235 1.671 10 0 ADAERN CCC[C@H](O)CCCc1nncn1C 689747465 572632509 /nfs/dbraw/zinc/63/25/09/572632509.db2.gz UWNGYCQARQKXJB-VIFPVBQESA-N 0 0 197.282 1.299 10 0 ADAERN Cc1cc(-c2c[nH]c(C=O)c2)on1 74308339 572632522 /nfs/dbraw/zinc/63/25/22/572632522.db2.gz WFUCTONZRMZBDQ-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CC[C@@H](CO)CCOCCOC 85041155 572632557 /nfs/dbraw/zinc/63/25/57/572632557.db2.gz LGLRBZBFKZRWKM-SECBINFHSA-N 0 0 176.256 1.058 10 0 ADAERN COCc1cccc2ccc(=O)[nH]c12 70054983 572632937 /nfs/dbraw/zinc/63/29/37/572632937.db2.gz ZTEUZLDAXPFPST-UHFFFAOYSA-N 0 0 189.214 1.675 10 0 ADAERN Cn1ccc(-c2cc(C=O)no2)c1 74308387 572632605 /nfs/dbraw/zinc/63/26/05/572632605.db2.gz HTMYMULFBKMXJZ-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN CC(C)CC[C@@]1(CO)CCOC1 85041787 572632939 /nfs/dbraw/zinc/63/29/39/572632939.db2.gz HMGOQCWFOGIZMH-JTQLQIEISA-N 0 0 172.268 1.822 10 0 ADAERN Cc1[nH]c(Cn2cccc2)nc1N 74308008 572632632 /nfs/dbraw/zinc/63/26/32/572632632.db2.gz WFCRXGYPMIRQQL-UHFFFAOYSA-N 0 0 176.223 1.150 10 0 ADAERN CCC[C@@H](CO)C[C@H]1CCCO1 85040479 572632640 /nfs/dbraw/zinc/63/26/40/572632640.db2.gz RQHYGCZBOUBNOK-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1nocc1-c1ccc(C=O)[nH]1 74308394 572632660 /nfs/dbraw/zinc/63/26/60/572632660.db2.gz ADPINIJJGQVZKA-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1nccn1-c1ccc(C=O)o1 74308353 572632678 /nfs/dbraw/zinc/63/26/78/572632678.db2.gz CBRRCKNPXHBLDQ-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN COc1ccc(C)c2ccc(=O)[nH]c12 70054912 572632681 /nfs/dbraw/zinc/63/26/81/572632681.db2.gz YOQRJSOTVPWJPM-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN CC(C)(C)C(=O)Cn1ccccc1=O 48032957 572632703 /nfs/dbraw/zinc/63/27/03/572632703.db2.gz OUEGSANULHOPBJ-UHFFFAOYSA-N 0 0 193.246 1.464 10 0 ADAERN Cc1coc(-c2ncncc2N)n1 74308249 572632708 /nfs/dbraw/zinc/63/27/08/572632708.db2.gz NHWZWUXEDRVOCH-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Nc1c(-c2cccnc2)o[nH]c1=O 74307709 572632712 /nfs/dbraw/zinc/63/27/12/572632712.db2.gz UIZNYJXJUBCUFD-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN Cc1nccc(-c2oncc2N)n1 74308275 572632724 /nfs/dbraw/zinc/63/27/24/572632724.db2.gz PXZXQJJXFVUURW-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1oncc1-c1ccc(C=O)[nH]1 74308400 572632946 /nfs/dbraw/zinc/63/29/46/572632946.db2.gz QKQPNFYBURGIEB-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1cc(-c2cc(C=O)no2)n[nH]1 74307649 572632750 /nfs/dbraw/zinc/63/27/50/572632750.db2.gz RCOQFVWPKOUVSU-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN Cc1ncncc1-c1oncc1N 74308272 572632753 /nfs/dbraw/zinc/63/27/53/572632753.db2.gz GWTBUYVBYKAYCU-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=Cc1cc[nH]c1Cc1ncco1 74308313 572632755 /nfs/dbraw/zinc/63/27/55/572632755.db2.gz LGHADOCLGXWXOU-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN CC[C@H](CO)CC[C@@H]1CCCO1 85041539 572632764 /nfs/dbraw/zinc/63/27/64/572632764.db2.gz CBVKYQGSKVMOLD-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCN1C(=O)NC(=O)[C@@]1(C)CC 70064765 572632781 /nfs/dbraw/zinc/63/27/81/572632781.db2.gz BROBGBLNRCTMAN-SECBINFHSA-N 0 0 184.239 1.117 10 0 ADAERN Cc1nc(-c2cc(N)c[nH]2)c(C)[nH]1 74307996 572632805 /nfs/dbraw/zinc/63/28/05/572632805.db2.gz ROPFEYSFRPCNED-UHFFFAOYSA-N 0 0 176.223 1.604 10 0 ADAERN O=Cc1cnc(Cc2ccco2)o1 74307788 572632816 /nfs/dbraw/zinc/63/28/16/572632816.db2.gz GDBNZPGZLLRFNL-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Cc1nocc1-c1n[nH]cc1C=O 74307773 572632855 /nfs/dbraw/zinc/63/28/55/572632855.db2.gz YUTHWDHQZTYMDT-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCCCN1C(=O)NC(=O)C1(C)C 70064725 572632866 /nfs/dbraw/zinc/63/28/66/572632866.db2.gz XUJVKYNDORUCOH-UHFFFAOYSA-N 0 0 184.239 1.117 10 0 ADAERN O=Cc1ncnc2c1CCCCC2 74308106 572632872 /nfs/dbraw/zinc/63/28/72/572632872.db2.gz WEPPLMHWAHNLSI-UHFFFAOYSA-N 0 0 176.219 1.558 10 0 ADAERN CC[C@@H](C)CN1C(=O)NC(=O)C1(C)C 70064743 572632885 /nfs/dbraw/zinc/63/28/85/572632885.db2.gz PZGDAJNYGJNAPG-SSDOTTSWSA-N 0 0 198.266 1.363 10 0 ADAERN Cc1ncc(-c2oncc2N)cn1 74308244 572632887 /nfs/dbraw/zinc/63/28/87/572632887.db2.gz YIGLYMSEVVGIBO-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=Cc1cc2c([nH]1)O[C@H]1CCC[C@H]21 74307550 572632891 /nfs/dbraw/zinc/63/28/91/572632891.db2.gz BDLIRGSFCCKFHY-APPZFPTMSA-N 0 0 177.203 1.856 10 0 ADAERN CCC[C@H](CO)Cc1ncnn1CC 85040577 572632947 /nfs/dbraw/zinc/63/29/47/572632947.db2.gz WNZGAGFANNVPJS-VIFPVBQESA-N 0 0 197.282 1.249 10 0 ADAERN CCC[C@@H](CO)Cc1ncnn1CC 85040579 572632990 /nfs/dbraw/zinc/63/29/90/572632990.db2.gz WNZGAGFANNVPJS-SECBINFHSA-N 0 0 197.282 1.249 10 0 ADAERN CC(=O)CCCCCC(N)=O 115866589 572633006 /nfs/dbraw/zinc/63/30/06/572633006.db2.gz PYTXVVIUHBYFCW-UHFFFAOYSA-N 0 0 157.213 1.011 10 0 ADAERN COC(=O)/C=C\C=C/C(C)C 209169955 572633007 /nfs/dbraw/zinc/63/30/07/572633007.db2.gz OIPYMYVSURZVCZ-PEPZGXQESA-N 0 0 154.209 1.928 10 0 ADAERN C[C@@H](CCO)[C@@H](C)C(=S)N(C)C 238369245 572633023 /nfs/dbraw/zinc/63/30/23/572633023.db2.gz QTZLWJOXROEGAH-JGVFFNPUSA-N 0 0 189.324 1.530 10 0 ADAERN COCC[C@H](CO)c1ccccc1 85041576 572633062 /nfs/dbraw/zinc/63/30/62/572633062.db2.gz XLIVVTOKLJBFIF-LLVKDONJSA-N 0 0 180.247 1.799 10 0 ADAERN CC[C@H](CO)Cc1cnn(CC)c1 85041520 572633091 /nfs/dbraw/zinc/63/30/91/572633091.db2.gz REMADCJTHAJLNK-VIFPVBQESA-N 0 0 182.267 1.464 10 0 ADAERN CCn1ncnc1C[C@@H](CO)C(C)C 85041062 572633136 /nfs/dbraw/zinc/63/31/36/572633136.db2.gz WKJIGYSSJYUPHT-VIFPVBQESA-N 0 0 197.282 1.105 10 0 ADAERN CCc1cc(C[C@H](CC)CO)n(C)n1 85041301 572633139 /nfs/dbraw/zinc/63/31/39/572633139.db2.gz HPSJBKVQUFUOOU-VIFPVBQESA-N 0 0 196.294 1.544 10 0 ADAERN CCOCCC[C@]1(CO)CCOC1 85042019 572633144 /nfs/dbraw/zinc/63/31/44/572633144.db2.gz FZLGCFMJJCSQNA-SNVBAGLBSA-N 0 0 188.267 1.202 10 0 ADAERN C[C@@H]1CCC[C@@H]1N1C[C@H](CO)CC1=O 70053739 572633150 /nfs/dbraw/zinc/63/31/50/572633150.db2.gz JHYKQLVUGVNHFX-BBBLOLIVSA-N 0 0 197.278 1.016 10 0 ADAERN CCc1cc(C[C@@H](CC)CO)n(C)n1 85041298 572633151 /nfs/dbraw/zinc/63/31/51/572633151.db2.gz HPSJBKVQUFUOOU-SECBINFHSA-N 0 0 196.294 1.544 10 0 ADAERN CC[C@H](C/C=C/CO)C(C)=O 307850849 572633155 /nfs/dbraw/zinc/63/31/55/572633155.db2.gz BFLJTGHTCBTBLT-XNPJLODASA-N 0 0 156.225 1.540 10 0 ADAERN CC[C@H](C)C[C@]1(CO)CCOC1 85041821 572633165 /nfs/dbraw/zinc/63/31/65/572633165.db2.gz NYVHDHXSEMOGKN-UWVGGRQHSA-N 0 0 172.268 1.822 10 0 ADAERN Cc1cc(C[C@@H](CO)C(C)C)n(C)n1 85040692 572633168 /nfs/dbraw/zinc/63/31/68/572633168.db2.gz CVECQDOQQFIEOA-JTQLQIEISA-N 0 0 196.294 1.536 10 0 ADAERN CC[C@H](C)C[C@@]1(CO)CCOC1 85041824 572633176 /nfs/dbraw/zinc/63/31/76/572633176.db2.gz NYVHDHXSEMOGKN-VHSXEESVSA-N 0 0 172.268 1.822 10 0 ADAERN NN=c1ccc2c(F)cc(F)cc2[nH]1 70063984 572633177 /nfs/dbraw/zinc/63/31/77/572633177.db2.gz RKEWMWBRBOHKAY-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN CC[C@H](CO)CCOC(C)C 85041494 572633185 /nfs/dbraw/zinc/63/31/85/572633185.db2.gz JCFVZYZCEXEQQY-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CCC[C@H](CO)CCCOC 85040488 572633190 /nfs/dbraw/zinc/63/31/90/572633190.db2.gz FJQZTGWDQPHUPY-VIFPVBQESA-N 0 0 160.257 1.822 10 0 ADAERN CC(C)[C@H](CO)Cc1cnn(C)c1 85040625 572633207 /nfs/dbraw/zinc/63/32/07/572633207.db2.gz HPHRMCGAVBCSSW-JTQLQIEISA-N 0 0 182.267 1.227 10 0 ADAERN CC/C=C/C(=O)NOCC(C)C 308081285 572637039 /nfs/dbraw/zinc/63/70/39/572637039.db2.gz JGBRAVKYQRNVLF-AATRIKPKSA-N 0 0 171.240 1.656 10 0 ADAERN COC(=O)C[C@H](O)c1ccc(C)o1 238368601 572633256 /nfs/dbraw/zinc/63/32/56/572633256.db2.gz VQHHIUVDHHDQAZ-ZETCQYMHSA-N 0 0 184.191 1.185 10 0 ADAERN Cc1cc(C[C@H](CO)C(C)C)n(C)n1 85040693 572633260 /nfs/dbraw/zinc/63/32/60/572633260.db2.gz CVECQDOQQFIEOA-SNVBAGLBSA-N 0 0 196.294 1.536 10 0 ADAERN Cn1cncc1-c1nc2cccnc2[nH]1 236103647 572633466 /nfs/dbraw/zinc/63/34/66/572633466.db2.gz XUQAPZDJBNBZPK-UHFFFAOYSA-N 0 0 199.217 1.358 10 0 ADAERN Cc1cc(N)nc(-n2cccc2)n1 74309242 572633354 /nfs/dbraw/zinc/63/33/54/572633354.db2.gz HCANMZBIDOPXMX-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cncnc1-c1cc(N)c[nH]1 74309236 572633364 /nfs/dbraw/zinc/63/33/64/572633364.db2.gz YUFRBBKOMSIDOK-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1ncccc1-c1oncc1N 74308895 572633372 /nfs/dbraw/zinc/63/33/72/572633372.db2.gz NINDEOBASRHLII-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCOCCC[C@@H](CC)CO 85041461 572633469 /nfs/dbraw/zinc/63/34/69/572633469.db2.gz UKZVMUNUPZRJGL-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN COC[C@@H](CO)C(=O)c1ccccc1 238372763 572633383 /nfs/dbraw/zinc/63/33/83/572633383.db2.gz AIQOMAWANJHSDC-SNVBAGLBSA-N 0 0 194.230 1.124 10 0 ADAERN CC[C@H](CO)Cc1ncnn1C(C)C 85041547 572633408 /nfs/dbraw/zinc/63/34/08/572633408.db2.gz FOYPUNAFLPBNOH-VIFPVBQESA-N 0 0 197.282 1.420 10 0 ADAERN Cc1ccnc(-n2ccnc2C)c1N 70063053 572633462 /nfs/dbraw/zinc/63/34/62/572633462.db2.gz KRAOCCPXALLAHM-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1nccn1-c1cc(C=O)c[nH]1 74308891 572633426 /nfs/dbraw/zinc/63/34/26/572633426.db2.gz LMJPBALVPTZTJH-UHFFFAOYSA-N 0 0 175.191 1.321 10 0 ADAERN CCc1cc2cccc(C=O)n2n1 74309262 572633436 /nfs/dbraw/zinc/63/34/36/572633436.db2.gz WKRYGALJYDVVAW-UHFFFAOYSA-N 0 0 174.203 1.709 10 0 ADAERN C/C=C(C)/C=C(/C)CO 115797228 572633519 /nfs/dbraw/zinc/63/35/19/572633519.db2.gz YZDKYYZSTTWZDN-NIQPXEJBSA-N 0 0 126.199 1.891 10 0 ADAERN C/C=C\C[S@@](=O)c1nccs1 307850788 572633534 /nfs/dbraw/zinc/63/35/34/572633534.db2.gz BDRRQHNRHSOGFE-OTDNITJGSA-N 0 0 187.289 1.827 10 0 ADAERN CC[C@H](CO)Cc1cc(C)nn1CC 85041251 572633549 /nfs/dbraw/zinc/63/35/49/572633549.db2.gz RYAUAGLXGVBSLU-JTQLQIEISA-N 0 0 196.294 1.772 10 0 ADAERN Cc1nc(-n2cccc2)ncc1N 74309241 572633550 /nfs/dbraw/zinc/63/35/50/572633550.db2.gz KRZXKELPYDOOCD-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC(C)[C@@H](CO)Cc1cscn1 85040745 572633552 /nfs/dbraw/zinc/63/35/52/572633552.db2.gz TYVOOXIJJAICCP-MRVPVSSYSA-N 0 0 185.292 1.950 10 0 ADAERN Cc1cc2[nH]nc(C=O)c2cc1C 74309275 572633558 /nfs/dbraw/zinc/63/35/58/572633558.db2.gz ZXBQIDVBFCAAPI-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN Cc1nc(N)cn1-c1cccnc1 74309185 572633561 /nfs/dbraw/zinc/63/35/61/572633561.db2.gz PCVINSZQQLMBOH-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC[C@@H](CO)CC[C@H]1CCCO1 85041545 572633563 /nfs/dbraw/zinc/63/35/63/572633563.db2.gz CBVKYQGSKVMOLD-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CO[C@@H](C)OC(=O)c1ccccc1O 238368185 572633575 /nfs/dbraw/zinc/63/35/75/572633575.db2.gz SDMKBCSDMTVSDV-SSDOTTSWSA-N 0 0 196.202 1.541 10 0 ADAERN CC(C)[C@H](CO)C[C@H]1CCCO1 85040961 572633577 /nfs/dbraw/zinc/63/35/77/572633577.db2.gz VIDDNXJIVHUVPS-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)C[C@H](O)/C=C/c1ccco1 238368580 572633578 /nfs/dbraw/zinc/63/35/78/572633578.db2.gz IWYXIWZVLGMVGF-WTSVBCDHSA-N 0 0 196.202 1.217 10 0 ADAERN CCc1cn2cc(C=O)ccc2n1 74309270 572633579 /nfs/dbraw/zinc/63/35/79/572633579.db2.gz RMRMSZGPGBHKGJ-UHFFFAOYSA-N 0 0 174.203 1.709 10 0 ADAERN CCc1nc2ccc(C=O)cn2n1 74308845 572633589 /nfs/dbraw/zinc/63/35/89/572633589.db2.gz FFSDPSJAIUSVFC-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CC(C)OCC[C@]1(CO)CCOC1 85042044 572633597 /nfs/dbraw/zinc/63/35/97/572633597.db2.gz HCOXCTGQKKUJMQ-JTQLQIEISA-N 0 0 188.267 1.201 10 0 ADAERN CCOCC[C@H](CO)C(C)C 85040698 572633601 /nfs/dbraw/zinc/63/36/01/572633601.db2.gz HPTPOZUVTDESMW-SECBINFHSA-N 0 0 160.257 1.678 10 0 ADAERN C[C@@H]1Cc2c(F)cc(O)cc2N1 713729286 572633610 /nfs/dbraw/zinc/63/36/10/572633610.db2.gz RVQUXKAWTYPALD-RXMQYKEDSA-N 0 0 167.183 1.888 10 0 ADAERN Cc1noc(-c2cccnc2)c1N 74308848 572633614 /nfs/dbraw/zinc/63/36/14/572633614.db2.gz BHUJVNXMASBTBB-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Nc1ccc(-n2cccn2)cc1O 74308914 572633627 /nfs/dbraw/zinc/63/36/27/572633627.db2.gz ANGOPERYKJPGRK-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN CSCOc1ccc(CO)cc1 238369526 572633641 /nfs/dbraw/zinc/63/36/41/572633641.db2.gz HEZPDMJJELGSGC-UHFFFAOYSA-N 0 0 184.260 1.878 10 0 ADAERN C[C@@H](CCO)[C@H](C)C(=S)N(C)C 238369905 572633643 /nfs/dbraw/zinc/63/36/43/572633643.db2.gz QTZLWJOXROEGAH-YUMQZZPRSA-N 0 0 189.324 1.530 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C(=O)[O-])C2)C1 251755592 572633647 /nfs/dbraw/zinc/63/36/47/572633647.db2.gz SUYCAIZTJKGXHN-BBBLOLIVSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1nc(N)ncc1-n1cccc1 74309244 572633657 /nfs/dbraw/zinc/63/36/57/572633657.db2.gz YLYQALYIEUXEGS-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCC[C@@H](F)C(=O)OC 197965298 572633674 /nfs/dbraw/zinc/63/36/74/572633674.db2.gz CTAPGHWSHGJGBY-RXMQYKEDSA-N 0 0 134.150 1.298 10 0 ADAERN COCCc1ccc2c(c1)OCC2=O 714115859 572633684 /nfs/dbraw/zinc/63/36/84/572633684.db2.gz NONPGVUGTXBMCJ-UHFFFAOYSA-N 0 0 192.214 1.451 10 0 ADAERN CC(C)(C)[C@@H](CC[NH3+])C(=O)[O-] 115919736 572633821 /nfs/dbraw/zinc/63/38/21/572633821.db2.gz INGYQUXFTSEGEF-LURJTMIESA-N 0 0 159.229 1.082 10 0 ADAERN CN(CC1CC1)C(=O)NCCF 308081583 572633923 /nfs/dbraw/zinc/63/39/23/572633923.db2.gz JQRFWMCAHLNVHN-UHFFFAOYSA-N 0 0 174.219 1.007 10 0 ADAERN Cc1[nH]c2c(O)cccc2c1C=O 74308954 572633873 /nfs/dbraw/zinc/63/38/73/572633873.db2.gz WCHYWJABTHQIBQ-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN C[C@@H](O)c1noc(C(F)F)n1 235271366 572633930 /nfs/dbraw/zinc/63/39/30/572633930.db2.gz CKISKCHMGCWRGS-UWTATZPHSA-N 0 0 164.111 1.061 10 0 ADAERN CSC[C@@](C)(CO)c1ccncc1 238372501 572633995 /nfs/dbraw/zinc/63/39/95/572633995.db2.gz FJQJJOYYTXFPEM-SNVBAGLBSA-N 0 0 197.303 1.695 10 0 ADAERN CC(=O)OC[C@H](C)C[C@@H](C)CO 115879274 572634004 /nfs/dbraw/zinc/63/40/04/572634004.db2.gz PPWUGJRYPLAOPM-HTQZYQBOSA-N 0 0 174.240 1.204 10 0 ADAERN Cc1c[nH]nc1-c1ccc(C=O)[nH]1 74308937 572634048 /nfs/dbraw/zinc/63/40/48/572634048.db2.gz JDGHGFPUOWERDY-UHFFFAOYSA-N 0 0 175.191 1.526 10 0 ADAERN FC(F)CNCCOCC(F)F 236117714 572634056 /nfs/dbraw/zinc/63/40/56/572634056.db2.gz OJFXLDDETYUHQZ-UHFFFAOYSA-N 0 0 189.152 1.123 10 0 ADAERN C[C@@H](CCO)COC(C)(C)C 238367574 572634058 /nfs/dbraw/zinc/63/40/58/572634058.db2.gz VHLZXGZXQHWCQW-QMMMGPOBSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@@H]1C[C@H]1C[N@H+](C)C/C=C\C(=O)[O-] 252461392 572634096 /nfs/dbraw/zinc/63/40/96/572634096.db2.gz HESHKSFJOUQQOE-NESOUNQCSA-N 0 0 183.251 1.215 10 0 ADAERN Cc1nc2ccc(C=O)cn2c1C 74309271 572634141 /nfs/dbraw/zinc/63/41/41/572634141.db2.gz MRYLMVRZMYXJHZ-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN Nc1cccc2nnc(C3CC3)n12 74309176 572634163 /nfs/dbraw/zinc/63/41/63/572634163.db2.gz KMFZDSGXNYDYJZ-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@]1(O)CO 235274500 572634168 /nfs/dbraw/zinc/63/41/68/572634168.db2.gz BNMLIXOCHVRPQU-VXNVDRBHSA-N 0 0 158.241 1.166 10 0 ADAERN COc1cccc(CCCCO)c1N 238368553 572634235 /nfs/dbraw/zinc/63/42/35/572634235.db2.gz ULCXGYPQPVVXCW-UHFFFAOYSA-N 0 0 195.262 1.592 10 0 ADAERN Cc1cnc(-n2cccc2)nc1N 74309249 572634245 /nfs/dbraw/zinc/63/42/45/572634245.db2.gz MTOQTRWLDNHLPA-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cn1cnc(-c2cc[nH]c2)c1C=O 74308833 572634251 /nfs/dbraw/zinc/63/42/51/572634251.db2.gz IJTZFKWLWRLDNJ-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN CCC[C@H](F)C(=O)OC 197965293 572634290 /nfs/dbraw/zinc/63/42/90/572634290.db2.gz CTAPGHWSHGJGBY-YFKPBYRVSA-N 0 0 134.150 1.298 10 0 ADAERN Cc1ccnn1-c1cc(C=O)c[nH]1 74308917 572634300 /nfs/dbraw/zinc/63/43/00/572634300.db2.gz HFSQYTGNOFQLKB-UHFFFAOYSA-N 0 0 175.191 1.321 10 0 ADAERN c1nc(-c2cnco2)co1 299889410 572634314 /nfs/dbraw/zinc/63/43/14/572634314.db2.gz IXQCOBDGFCEYEQ-UHFFFAOYSA-N 0 0 136.110 1.330 10 0 ADAERN C/C=C\C1=CCC[C@H]1O 115903514 572634322 /nfs/dbraw/zinc/63/43/22/572634322.db2.gz OTTJAHSRCKAEPE-DLRBJTRDSA-N 0 0 124.183 1.644 10 0 ADAERN CC/C=C(/CCC)[C@H](N)C(=O)OC 308081662 572634331 /nfs/dbraw/zinc/63/43/31/572634331.db2.gz QYRZQSZTRNTMTB-XZLDQRQTSA-N 0 0 185.267 1.623 10 0 ADAERN C/C=C1\CO[C@@H]2CC(=O)C[C@@H]12 307850884 572634511 /nfs/dbraw/zinc/63/45/11/572634511.db2.gz BKAXMSLDAPPEMI-NKLAAFKVSA-N 0 0 152.193 1.311 10 0 ADAERN Cc1cnc(N)nc1-n1cccc1 74309250 572635283 /nfs/dbraw/zinc/63/52/83/572635283.db2.gz HWEKOEZXKPRBLM-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN COc1ccc(CON)c(C2CC2)c1 238368630 572634367 /nfs/dbraw/zinc/63/43/67/572634367.db2.gz GHKYGZRMYYQKHE-UHFFFAOYSA-N 0 0 193.246 1.963 10 0 ADAERN CC(C)=CCOC[C@@H](C)CCO 238367598 572634374 /nfs/dbraw/zinc/63/43/74/572634374.db2.gz OKLRBOVOKQHQCQ-JTQLQIEISA-N 0 0 172.268 1.988 10 0 ADAERN CC(=O)OC[C@H](C)C[C@H](C)CO 115879275 572634375 /nfs/dbraw/zinc/63/43/75/572634375.db2.gz PPWUGJRYPLAOPM-JGVFFNPUSA-N 0 0 174.240 1.204 10 0 ADAERN CSC[C@@]([NH3+])(CC(C)C)C(=O)[O-] 238372579 572634376 /nfs/dbraw/zinc/63/43/76/572634376.db2.gz MLEIBTNSNCUDPG-QMMMGPOBSA-N 0 0 191.296 1.178 10 0 ADAERN Cn1ccc(-c2n[nH]cc2C=O)c1 74308924 572634407 /nfs/dbraw/zinc/63/44/07/572634407.db2.gz RQKZVDCELCNJPT-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN C=C=C[C@H](O)/C=C\C 209170465 572634420 /nfs/dbraw/zinc/63/44/20/572634420.db2.gz GMARKGIPUOLEEB-NGAMADIESA-N 0 0 110.156 1.265 10 0 ADAERN Nc1ccc(-n2cccn2)c(O)c1 74308909 572634421 /nfs/dbraw/zinc/63/44/21/572634421.db2.gz ITMCDRYWWYFKTL-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN Nc1cnoc1Cc1ccccn1 74308897 572634424 /nfs/dbraw/zinc/63/44/24/572634424.db2.gz ZGCBIOPKTPECQZ-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN C[C@@H](O)/C=C\c1ccc2c(c1)OCO2 83293751 572634433 /nfs/dbraw/zinc/63/44/33/572634433.db2.gz BFKJEEFQRZRWBY-YAJNLLPGSA-N 0 0 192.214 1.809 10 0 ADAERN Cn1cc(-c2ccc(C=O)[nH]2)cn1 74308940 572634486 /nfs/dbraw/zinc/63/44/86/572634486.db2.gz JZAYPEVXSQCLHL-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN Cc1noc(-c2ccccn2)c1N 74308846 572634491 /nfs/dbraw/zinc/63/44/91/572634491.db2.gz OSHWFGPXNOELQJ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1n[nH]cc1-c1c[nH]c(C=O)c1 74308871 572634496 /nfs/dbraw/zinc/63/44/96/572634496.db2.gz CYFQBLQMISMNGY-UHFFFAOYSA-N 0 0 175.191 1.526 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C(=O)[O-])C2)C1 251755596 572634497 /nfs/dbraw/zinc/63/44/97/572634497.db2.gz SUYCAIZTJKGXHN-UTLUCORTSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C(=O)[O-])C2)C1 251755594 572634530 /nfs/dbraw/zinc/63/45/30/572634530.db2.gz SUYCAIZTJKGXHN-OPRDCNLKSA-N 0 0 197.278 1.582 10 0 ADAERN COCC[C@H](O)c1ccoc1 70079456 572634540 /nfs/dbraw/zinc/63/45/40/572634540.db2.gz OTKGMBGBXUJVSV-QMMMGPOBSA-N 0 0 156.181 1.350 10 0 ADAERN c1cc(CNc2cnco2)ccn1 74308807 572634550 /nfs/dbraw/zinc/63/45/50/572634550.db2.gz MIBVTXFJNOKBBD-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN Cc1ncc(-c2cccc(N)n2)o1 74308928 572634646 /nfs/dbraw/zinc/63/46/46/572634646.db2.gz YWXBXWVMDBKSGQ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1nnc(CN)o1 235272982 572634693 /nfs/dbraw/zinc/63/46/93/572634693.db2.gz XULXDCGQJCBHEU-RNFRBKRXSA-N 0 0 196.254 1.129 10 0 ADAERN OCc1ncsc1Cl 299889287 572634696 /nfs/dbraw/zinc/63/46/96/572634696.db2.gz GYVSOKZVNWADLG-UHFFFAOYSA-N 0 0 149.602 1.289 10 0 ADAERN CCOC(=O)N1CCC(=O)C[C@H]1CC 115890221 572634730 /nfs/dbraw/zinc/63/47/30/572634730.db2.gz KYNNVWMGMHQKPE-MRVPVSSYSA-N 0 0 199.250 1.586 10 0 ADAERN Cc1cccc(-n2cnnc2)c1N 74309254 572634731 /nfs/dbraw/zinc/63/47/31/572634731.db2.gz LRXQTOULQIWELS-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Nc1c[nH]c2cc3c(cc12)OCC3 74309284 572634756 /nfs/dbraw/zinc/63/47/56/572634756.db2.gz LHZDBJHLAVSMOC-UHFFFAOYSA-N 0 0 174.203 1.685 10 0 ADAERN Nc1cc(-n2ccnc2)ccc1O 74308903 572634775 /nfs/dbraw/zinc/63/47/75/572634775.db2.gz GFAOTCWSGYRBCH-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN Cn1cnc(-c2nc3cccnc3[nH]2)c1 236112334 572634807 /nfs/dbraw/zinc/63/48/07/572634807.db2.gz VKQIFUOJHPVITA-UHFFFAOYSA-N 0 0 199.217 1.358 10 0 ADAERN Cc1cc(-c2ccc(N)nc2)no1 74308930 572634854 /nfs/dbraw/zinc/63/48/54/572634854.db2.gz GGLOHLJNCUDAFK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cn1cc(C=O)c2ccc(O)cc21 74308949 572634870 /nfs/dbraw/zinc/63/48/70/572634870.db2.gz LDBARCXFBDQTQZ-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN CCC[C@H](O)C[C@H](O)CCC 13547449 572635254 /nfs/dbraw/zinc/63/52/54/572635254.db2.gz VDZVHCDRFIJZKX-DTORHVGOSA-N 0 0 160.257 1.699 10 0 ADAERN CO[C@@H](C)Oc1ccccc1CO 238368420 572634925 /nfs/dbraw/zinc/63/49/25/572634925.db2.gz VLBMGSLLZKBXMN-MRVPVSSYSA-N 0 0 182.219 1.550 10 0 ADAERN CC(C(N)=S)=C(N)c1ccccc1 308080900 572635007 /nfs/dbraw/zinc/63/50/07/572635007.db2.gz NSXIZQJTTVPCHA-VQHVLOKHSA-N 0 0 192.287 1.662 10 0 ADAERN C/C=C1\CO[C@@H]2CC(=O)C[C@H]12 307850882 572635010 /nfs/dbraw/zinc/63/50/10/572635010.db2.gz BKAXMSLDAPPEMI-DNBSWFBXSA-N 0 0 152.193 1.311 10 0 ADAERN CO[C@@H](C)[C@@H](CO)Cc1ccccc1 238368799 572635047 /nfs/dbraw/zinc/63/50/47/572635047.db2.gz ZMBXQLYWZBNJDL-CMPLNLGQSA-N 0 0 194.274 1.873 10 0 ADAERN C[C@H](/C=C/CC[C@@H](C)CO)CO 238369929 572635052 /nfs/dbraw/zinc/63/50/52/572635052.db2.gz HXZZXJKHTNSESW-OTIHIVFHSA-N 0 0 172.268 1.580 10 0 ADAERN Cc1n[nH]c(C)c1NC(=O)NC1CC1 48173934 572635066 /nfs/dbraw/zinc/63/50/66/572635066.db2.gz DLJYRHMPNFAONK-UHFFFAOYSA-N 0 0 194.238 1.310 10 0 ADAERN Cc1ccc(-c2n[nH]cc2N)cn1 74309189 572635081 /nfs/dbraw/zinc/63/50/81/572635081.db2.gz UQPUUMSSUIXGJG-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Nc1ccc(-n2ccnc2)c(O)c1 74308902 572635192 /nfs/dbraw/zinc/63/51/92/572635192.db2.gz LXCDVWMTDAHHTE-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN COC(=O)/C=C\C=C\C(C)C 209169988 572635206 /nfs/dbraw/zinc/63/52/06/572635206.db2.gz OIPYMYVSURZVCZ-GUBXDBFYSA-N 0 0 154.209 1.928 10 0 ADAERN COC(=O)[C@@](C)(C(C)=O)C(C)C 238372702 572635211 /nfs/dbraw/zinc/63/52/11/572635211.db2.gz WBYZRWRXTBBGCE-SECBINFHSA-N 0 0 172.224 1.411 10 0 ADAERN COC(OC)c1ccc(C=O)nc1 115844644 572635214 /nfs/dbraw/zinc/63/52/14/572635214.db2.gz YEQACLFUKXYKLF-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN Cc1ncc(-c2cc(N)c[nH]2)cn1 74309239 572635478 /nfs/dbraw/zinc/63/54/78/572635478.db2.gz JMBMMRBJRFEBRC-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1ncc(N)c(-n2cccc2)n1 74309251 572635489 /nfs/dbraw/zinc/63/54/89/572635489.db2.gz KWJIPBLJWTZVHK-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cn1ccc(-c2c[nH]c(C=O)c2)n1 74308873 572635502 /nfs/dbraw/zinc/63/55/02/572635502.db2.gz UQOMDNGREADTLU-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN Cc1n[nH]cc1-c1ccc(C=O)[nH]1 74308938 572635531 /nfs/dbraw/zinc/63/55/31/572635531.db2.gz JZXCANZEALHLQN-UHFFFAOYSA-N 0 0 175.191 1.526 10 0 ADAERN Cc1cc(-c2cc(N)c[nH]2)ncn1 74309233 572635534 /nfs/dbraw/zinc/63/55/34/572635534.db2.gz VVUXDZGLJBYFBO-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cn1cccc1-c1ccc(N)nn1 74309253 572635539 /nfs/dbraw/zinc/63/55/39/572635539.db2.gz WJCNNLKBAKLJFV-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN FC1(CNCc2cscn2)CC1 308080109 572635543 /nfs/dbraw/zinc/63/55/43/572635543.db2.gz IKFVOENOLFYQQN-UHFFFAOYSA-N 0 0 186.255 1.735 10 0 ADAERN C[C@H](O)/C=C\c1ccc2c(c1)OCO2 83293750 572635601 /nfs/dbraw/zinc/63/56/01/572635601.db2.gz BFKJEEFQRZRWBY-KZUAUGPASA-N 0 0 192.214 1.809 10 0 ADAERN CC/C=C(/CCC)[C@@H](N)C(=O)OC 308081661 572635620 /nfs/dbraw/zinc/63/56/20/572635620.db2.gz QYRZQSZTRNTMTB-JGAIRUGNSA-N 0 0 185.267 1.623 10 0 ADAERN Nc1cnoc1Cc1cccnc1 74308899 572635625 /nfs/dbraw/zinc/63/56/25/572635625.db2.gz LBQPSJXVFIZBDB-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN CC/C=C\C(=O)NOCC(C)C 308081286 572635628 /nfs/dbraw/zinc/63/56/28/572635628.db2.gz JGBRAVKYQRNVLF-WAYWQWQTSA-N 0 0 171.240 1.656 10 0 ADAERN Cc1noc(-c2ccncc2)c1N 74308849 572635574 /nfs/dbraw/zinc/63/55/74/572635574.db2.gz KCGDHIHDXMNDBH-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1cc(-c2cc[nH]c2C=O)n[nH]1 74308921 572635593 /nfs/dbraw/zinc/63/55/93/572635593.db2.gz NCTAFDQAMWOJHQ-UHFFFAOYSA-N 0 0 175.191 1.526 10 0 ADAERN Cc1cc(-c2nc(C=O)c[nH]2)c[nH]1 74308852 572635641 /nfs/dbraw/zinc/63/56/41/572635641.db2.gz DWSWQKNZSKVRRQ-UHFFFAOYSA-N 0 0 175.191 1.526 10 0 ADAERN Cc1coc(-c2ccc(N)nc2)n1 74308934 572635695 /nfs/dbraw/zinc/63/56/95/572635695.db2.gz REOJYLWUNLMJQY-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1nc(N)cn1-c1ccccn1 74309183 572635735 /nfs/dbraw/zinc/63/57/35/572635735.db2.gz BTOXANRTGIYZPA-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN FC(F)CNCCCOCC1CC1 236117606 572635812 /nfs/dbraw/zinc/63/58/12/572635812.db2.gz YHNSAHIVIKGBLA-UHFFFAOYSA-N 0 0 193.237 1.658 10 0 ADAERN CCc1cn2ccc(C=O)cc2n1 74309264 572635816 /nfs/dbraw/zinc/63/58/16/572635816.db2.gz HORCCUPAJUXKAF-UHFFFAOYSA-N 0 0 174.203 1.709 10 0 ADAERN c1cc(CNc2ncco2)ccn1 74308811 572635839 /nfs/dbraw/zinc/63/58/39/572635839.db2.gz NNJPKTLLIUKVCF-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN Cn1nccc1-c1ccc(C=O)[nH]1 74308875 572635852 /nfs/dbraw/zinc/63/58/52/572635852.db2.gz MYETYLSBAGMXHM-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN NC(=O)Nc1ccc2ncccc2c1 48069194 572635884 /nfs/dbraw/zinc/63/58/84/572635884.db2.gz GDLOMIHKJHLQLR-UHFFFAOYSA-N 0 0 187.202 1.725 10 0 ADAERN COC(=O)/C(C)=C/C=C/CCCO 238369972 572635892 /nfs/dbraw/zinc/63/58/92/572635892.db2.gz AUWULXCWOVEQOB-WJDMQLPWSA-N 0 0 184.235 1.434 10 0 ADAERN O=C(OC1(C2CC2)CC1)C1CC1 308081580 572635919 /nfs/dbraw/zinc/63/59/19/572635919.db2.gz JQDPJHQTBCEATR-UHFFFAOYSA-N 0 0 166.220 1.882 10 0 ADAERN C[C@@H](CO)CC1(CO)C=CCC=C1 238369971 572636005 /nfs/dbraw/zinc/63/60/05/572636005.db2.gz YUDDZDWBMKGOFF-SNVBAGLBSA-N 0 0 182.263 1.500 10 0 ADAERN COC(=O)/C(C)=C/C=C/C[C@@H](C)CO 238369993 572636035 /nfs/dbraw/zinc/63/60/35/572636035.db2.gz KKGJWPZATWYOOU-ANVUPKRTSA-N 0 0 198.262 1.680 10 0 ADAERN COC[C@H](O)C(F)(F)C(F)(F)F 238370252 572636047 /nfs/dbraw/zinc/63/60/47/572636047.db2.gz KEQDFKSYIOLJFZ-VKHMYHEASA-N 0 0 194.099 1.191 10 0 ADAERN CN(c1cccc(N)c1)[C@H]1CCOC1 70072259 572636053 /nfs/dbraw/zinc/63/60/53/572636053.db2.gz FQRZZXGOMWBIGU-NSHDSACASA-N 0 0 192.262 1.494 10 0 ADAERN COC(=O)/C(C)=C/C=C/C[C@H](C)CO 238370010 572636092 /nfs/dbraw/zinc/63/60/92/572636092.db2.gz KKGJWPZATWYOOU-BIUSQVBCSA-N 0 0 198.262 1.680 10 0 ADAERN Cc1cc(-c2cccc(N)n2)no1 74308926 572636108 /nfs/dbraw/zinc/63/61/08/572636108.db2.gz GHQAIKSQUVNTIL-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN COCC[C@@H](O)c1ccoc1 70079457 572636125 /nfs/dbraw/zinc/63/61/25/572636125.db2.gz OTKGMBGBXUJVSV-MRVPVSSYSA-N 0 0 156.181 1.350 10 0 ADAERN CO[C@H](C)C[C@H]1COCCC1=O 234779249 572636154 /nfs/dbraw/zinc/63/61/54/572636154.db2.gz LUXNOUFHFGVNMS-SFYZADRCSA-N 0 0 172.224 1.017 10 0 ADAERN Cc1ncc(-c2ncccc2N)o1 74308836 572636160 /nfs/dbraw/zinc/63/61/60/572636160.db2.gz MSLZREHLRYWJLO-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN COc1ccc2c(c1Cl)C(=O)CO2 714115927 572636163 /nfs/dbraw/zinc/63/61/63/572636163.db2.gz BPBAAYOJBDVJPN-UHFFFAOYSA-N 0 0 198.605 1.924 10 0 ADAERN COC(=O)/C(C)=C/C=C(\C)CO 238369945 572636192 /nfs/dbraw/zinc/63/61/92/572636192.db2.gz OXOFRRILXFGTBR-NSLJXJERSA-N 0 0 170.208 1.044 10 0 ADAERN C[C@@H]1C[C@@H]1C1=NC(=O)CN1C 235273754 572636216 /nfs/dbraw/zinc/63/62/16/572636216.db2.gz KXCRWOSQEQXFNK-RITPCOANSA-N 0 0 152.197 1.249 10 0 ADAERN Cc1ncccc1-c1n[nH]cc1N 74309167 572636225 /nfs/dbraw/zinc/63/62/25/572636225.db2.gz BPKDPJUAFTVZIS-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1ccc2n[nH]c(C=O)c2c1C 74309274 572636259 /nfs/dbraw/zinc/63/62/59/572636259.db2.gz SUQRXLOEULSAIN-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN COc1ccc2c(c1C)C(=O)CO2 714115924 572636282 /nfs/dbraw/zinc/63/62/82/572636282.db2.gz BLHYHMQHPMJYRH-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN Cc1ccnn1-c1ccc(C=O)[nH]1 74308916 572636299 /nfs/dbraw/zinc/63/62/99/572636299.db2.gz CQFNPQLKLDAWPM-UHFFFAOYSA-N 0 0 175.191 1.321 10 0 ADAERN Cc1ccncc1-c1oncc1N 74308864 572636305 /nfs/dbraw/zinc/63/63/05/572636305.db2.gz XRNWKNSCKRGPPN-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN COC(=O)/C(C)=C/CC/C=C(/C)CO 238370044 572636312 /nfs/dbraw/zinc/63/63/12/572636312.db2.gz ZOZMFZSHKMKOBZ-PCCLLEMOSA-N 0 0 198.262 1.825 10 0 ADAERN O=c1n(C/C=C\Cl)ccn1C1CC1 308081508 572636320 /nfs/dbraw/zinc/63/63/20/572636320.db2.gz LPSXFFZVTKYPLZ-RJRFIUFISA-N 0 0 198.653 1.737 10 0 ADAERN Cc1nccn1-c1ccc(C=O)[nH]1 74308893 572636344 /nfs/dbraw/zinc/63/63/44/572636344.db2.gz YVWYBPKBNFUEAV-UHFFFAOYSA-N 0 0 175.191 1.321 10 0 ADAERN Nc1ccc(O)c(-n2cccn2)c1 74308911 572636362 /nfs/dbraw/zinc/63/63/62/572636362.db2.gz WLEJPIHRPVKCSJ-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN CCC[C@@H](O)C[C@H](O)CCC 13547447 572636370 /nfs/dbraw/zinc/63/63/70/572636370.db2.gz VDZVHCDRFIJZKX-RKDXNWHRSA-N 0 0 160.257 1.699 10 0 ADAERN CC(=O)C/C=C\Br 214708646 572636379 /nfs/dbraw/zinc/63/63/79/572636379.db2.gz OIUCKQAXRUYQIU-RQOWECAXSA-N 0 0 163.014 1.874 10 0 ADAERN Cc1occc1-c1ncncc1N 74308880 572636410 /nfs/dbraw/zinc/63/64/10/572636410.db2.gz BWJHFUCYLBSYFX-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Nc1ccc(-n2cccn2)c(N)c1 74309222 572636431 /nfs/dbraw/zinc/63/64/31/572636431.db2.gz QNOGMDYOKSDEQB-UHFFFAOYSA-N 0 0 174.207 1.037 10 0 ADAERN Cn1cccc1-c1cnncc1N 74309163 572636452 /nfs/dbraw/zinc/63/64/52/572636452.db2.gz IJPXDNJAPZJUAL-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCCNC(=CC(=O)OCC)CC 308081124 572636475 /nfs/dbraw/zinc/63/64/75/572636475.db2.gz QIEPIKSHIVYGPT-HJWRWDBZSA-N 0 0 185.267 1.843 10 0 ADAERN CCc1nc2cc(C=O)ccn2n1 74308843 572636543 /nfs/dbraw/zinc/63/65/43/572636543.db2.gz PJJGECZWJFWDQH-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN Nc1c[nH]c2ccc3c(c12)CCO3 74309285 572636557 /nfs/dbraw/zinc/63/65/57/572636557.db2.gz UFQJZRAOPZAZPX-UHFFFAOYSA-N 0 0 174.203 1.685 10 0 ADAERN Cn1ccc(-c2ccc(C=O)[nH]2)n1 74308874 572636563 /nfs/dbraw/zinc/63/65/63/572636563.db2.gz WYKIDSGTDOSEIU-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN Cc1cnc(-c2ccc(N)nc2)o1 74308932 572636576 /nfs/dbraw/zinc/63/65/76/572636576.db2.gz XSDCPDAWUPFHAJ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1ncc(-c2[nH]ccc2N)cn1 74309229 572636622 /nfs/dbraw/zinc/63/66/22/572636622.db2.gz JUDPCRYPWHUHBI-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN FC(F)CNCCOCC1CC1 236117734 572636944 /nfs/dbraw/zinc/63/69/44/572636944.db2.gz GIPNQBRXSDZSGH-UHFFFAOYSA-N 0 0 179.210 1.268 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CC(C)(C)C[C@@H]1C 234516018 572636718 /nfs/dbraw/zinc/63/67/18/572636718.db2.gz MVAPHQCIHMMXNY-GZMMTYOYSA-N 0 0 199.294 1.875 10 0 ADAERN FC(F)c1cccnn1 166693915 572636739 /nfs/dbraw/zinc/63/67/39/572636739.db2.gz MSZPTEOASLYVOI-UHFFFAOYSA-N 0 0 130.097 1.414 10 0 ADAERN CCc1cccc(C(N)=O)c1C 115887359 572636985 /nfs/dbraw/zinc/63/69/85/572636985.db2.gz VXHZFFTUWFAAFR-UHFFFAOYSA-N 0 0 163.220 1.656 10 0 ADAERN C/C=C\C(=O)N[C@@H](C)c1ncc[nH]1 308081410 572636996 /nfs/dbraw/zinc/63/69/96/572636996.db2.gz KGQJTMJJRUNHAG-AVALRIAPSA-N 0 0 179.223 1.163 10 0 ADAERN COC(=O)[C@H]1Cc2ccc(F)cc2C1 115905811 572637002 /nfs/dbraw/zinc/63/70/02/572637002.db2.gz MIZJGPQVOBOFOU-VIFPVBQESA-N 0 0 194.205 1.714 10 0 ADAERN Nc1cc(O)c2c(c1)C(=O)CCC2 714116271 572637007 /nfs/dbraw/zinc/63/70/07/572637007.db2.gz VSEUPDMAJFOQIJ-UHFFFAOYSA-N 0 0 177.203 1.493 10 0 ADAERN CO[C@](CO)(c1ccccc1)C1CC1 238376088 572637136 /nfs/dbraw/zinc/63/71/36/572637136.db2.gz ZAKGISFVKXASDT-GFCCVEGCSA-N 0 0 192.258 1.931 10 0 ADAERN Cn1cc(OCOCC2CC2)cn1 236114692 572637141 /nfs/dbraw/zinc/63/71/41/572637141.db2.gz VDRHUOFLCIXFBL-UHFFFAOYSA-N 0 0 182.223 1.183 10 0 ADAERN FC(F)(F)CNCC[C@H]1CCOC1 236116592 572637182 /nfs/dbraw/zinc/63/71/82/572637182.db2.gz FYVDTCDEHATATP-ZETCQYMHSA-N 0 0 197.200 1.565 10 0 ADAERN CC(C)COCCOC[C@@H](C)O 115917859 572637186 /nfs/dbraw/zinc/63/71/86/572637186.db2.gz CONSAJCTLURFRN-SECBINFHSA-N 0 0 176.256 1.056 10 0 ADAERN CC1(C)CNC(=O)c2ccoc2C1 196709681 572637189 /nfs/dbraw/zinc/63/71/89/572637189.db2.gz WJKLPKKLLAUKSG-UHFFFAOYSA-N 0 0 179.219 1.592 10 0 ADAERN COc1ccccc1[C@H](CCO)OC 238377680 572637292 /nfs/dbraw/zinc/63/72/92/572637292.db2.gz YIWSLQRUTLPUBH-NSHDSACASA-N 0 0 196.246 1.765 10 0 ADAERN C=Cc1ccc2c(c1)OCC2=O 714116177 572637331 /nfs/dbraw/zinc/63/73/31/572637331.db2.gz RYJBIXUPMIWYNS-UHFFFAOYSA-N 0 0 160.172 1.905 10 0 ADAERN COC(=O)[C@](C)(C(C)=O)C(C)C 238375739 572637389 /nfs/dbraw/zinc/63/73/89/572637389.db2.gz WBYZRWRXTBBGCE-VIFPVBQESA-N 0 0 172.224 1.411 10 0 ADAERN CCOc1ccc2c(N)noc2c1 299889055 572637398 /nfs/dbraw/zinc/63/73/98/572637398.db2.gz CULLPWIGEXNOJD-UHFFFAOYSA-N 0 0 178.191 1.809 10 0 ADAERN CNC(=O)CCNc1ccc(C)cc1 48132774 572637553 /nfs/dbraw/zinc/63/75/53/572637553.db2.gz WYWBWNDAOJUUDZ-UHFFFAOYSA-N 0 0 192.262 1.543 10 0 ADAERN FC(F)(F)CNCc1cccnn1 236117984 572637567 /nfs/dbraw/zinc/63/75/67/572637567.db2.gz GFFSXLLYMZIODC-UHFFFAOYSA-N 0 0 191.156 1.129 10 0 ADAERN COc1cc(O)cc2c1CCCC2=O 714116299 572637627 /nfs/dbraw/zinc/63/76/27/572637627.db2.gz WRIRMTSMQBUTCO-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN CO[C@@](N)(CF)c1cccc(C=O)c1 238376796 572637652 /nfs/dbraw/zinc/63/76/52/572637652.db2.gz UMHDNDOQECFISV-JTQLQIEISA-N 0 0 197.209 1.227 10 0 ADAERN CC/C=C/C(=O)NO[C@@H](C)CC 308083803 572637656 /nfs/dbraw/zinc/63/76/56/572637656.db2.gz LPFDEXWBUYUPRB-CZEYKFRCSA-N 0 0 171.240 1.799 10 0 ADAERN CCOc1cc2c(cc1C)C(=O)CO2 714116199 572637729 /nfs/dbraw/zinc/63/77/29/572637729.db2.gz QSCHBKVSCQCAMH-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN CC/C=C\C(=O)NO[C@H](C)CC 308083805 572637760 /nfs/dbraw/zinc/63/77/60/572637760.db2.gz LPFDEXWBUYUPRB-NFXKFNAJSA-N 0 0 171.240 1.799 10 0 ADAERN CO[C@@](N)(CF)c1ccc(C=O)cc1 238376752 572637843 /nfs/dbraw/zinc/63/78/43/572637843.db2.gz SWRTULVNCZOEDC-JTQLQIEISA-N 0 0 197.209 1.227 10 0 ADAERN CO[C@@H](CCO)Oc1ccccc1 238377462 572637856 /nfs/dbraw/zinc/63/78/56/572637856.db2.gz DQMBRQVWPVQIFI-SNVBAGLBSA-N 0 0 182.219 1.420 10 0 ADAERN Cc1cc([C@@]2(O)C[C@H]2C)ccn1 235279443 572637890 /nfs/dbraw/zinc/63/78/90/572637890.db2.gz ORFAVQMPAHOXSS-GMSGAONNSA-N 0 0 163.220 1.617 10 0 ADAERN C[C@@H](CO)[C@@H](C)C(=O)C(C)(C)C 238377308 572637943 /nfs/dbraw/zinc/63/79/43/572637943.db2.gz XYDQJVJNZTYBKN-JGVFFNPUSA-N 0 0 172.268 1.866 10 0 ADAERN C/C=C\CCNC(=O)[C@@H]1CCSC1 308083440 572637958 /nfs/dbraw/zinc/63/79/58/572637958.db2.gz CBCLLJDXTWCGFZ-PKRMOACSSA-N 0 0 199.319 1.822 10 0 ADAERN OC[C@H](F)CCOCc1ccccc1 196610478 572638112 /nfs/dbraw/zinc/63/81/12/572638112.db2.gz XNQKKPXSHLCXQT-LLVKDONJSA-N 0 0 198.237 1.924 10 0 ADAERN COc1ccc(O)c(CCC(C)=O)c1 238376532 572638145 /nfs/dbraw/zinc/63/81/45/572638145.db2.gz FUHJEMQQKUMKTN-UHFFFAOYSA-N 0 0 194.230 1.922 10 0 ADAERN COC(=O)C1=C(O)C[C@@H]2CCCC[C@H]12 250364424 572638328 /nfs/dbraw/zinc/63/83/28/572638328.db2.gz IPTBOELSAGVARS-NRPADANISA-N 0 0 196.246 1.555 10 0 ADAERN CO[C@@H](CCO)c1cccc(O)c1 238377636 572638295 /nfs/dbraw/zinc/63/82/95/572638295.db2.gz CMRYETAEXPDRAW-JTQLQIEISA-N 0 0 182.219 1.462 10 0 ADAERN C[C@@H]1C[C@]1(O)c1cncs1 235279737 572638354 /nfs/dbraw/zinc/63/83/54/572638354.db2.gz YBPXLOCVBPUDPO-IYSWYEEDSA-N 0 0 155.222 1.371 10 0 ADAERN Cc1ccc2c(c1O)C(=O)CO2 714116314 572638409 /nfs/dbraw/zinc/63/84/09/572638409.db2.gz WZMDFFFDWQNEGL-UHFFFAOYSA-N 0 0 164.160 1.276 10 0 ADAERN Cc1ccnn1-c1ccc(Cl)nn1 48218354 572638522 /nfs/dbraw/zinc/63/85/22/572638522.db2.gz YPSKROCVZOWGQX-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H]1[NH+](C)C 251805022 572638588 /nfs/dbraw/zinc/63/85/88/572638588.db2.gz GLQCNUGVSGIYJC-BWZBUEFSSA-N 0 0 171.240 1.047 10 0 ADAERN CO[C@@H](CCO)c1ccc(F)cc1 238377602 572638613 /nfs/dbraw/zinc/63/86/13/572638613.db2.gz RKSAKOHFVWURIF-JTQLQIEISA-N 0 0 184.210 1.896 10 0 ADAERN Cc1ncc([C@@]2(O)C[C@H]2C)s1 235279648 572638627 /nfs/dbraw/zinc/63/86/27/572638627.db2.gz SXWOHVFOKYDXHX-SVGQVSJJSA-N 0 0 169.249 1.679 10 0 ADAERN Cc1cc(N)nn1[C@@H]1CCSC1 405272429 572638642 /nfs/dbraw/zinc/63/86/42/572638642.db2.gz PHXINERSWHPRRM-SSDOTTSWSA-N 0 0 183.280 1.452 10 0 ADAERN Cc1cc2c(cc1N)N[C@@H](C)C2 713730695 572638779 /nfs/dbraw/zinc/63/87/79/572638779.db2.gz UZQRMLMMYGJUQG-ZETCQYMHSA-N 0 0 162.236 1.934 10 0 ADAERN O=C(OCC1CC1)N1CCSC1 308083865 572638675 /nfs/dbraw/zinc/63/86/75/572638675.db2.gz LVHLKMWDHPMBSD-UHFFFAOYSA-N 0 0 187.264 1.539 10 0 ADAERN CCOc1c(O)ccc2c1C(=O)CO2 714116207 572638719 /nfs/dbraw/zinc/63/87/19/572638719.db2.gz UNMVSKZIHUBMEU-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN Cc1ccc(SNN)cc1 115983979 572638722 /nfs/dbraw/zinc/63/87/22/572638722.db2.gz LYSYAIWVPKAXHR-UHFFFAOYSA-N 0 0 154.238 1.465 10 0 ADAERN CCCOC[C@@](C)(O)CCC 87649415 572643521 /nfs/dbraw/zinc/64/35/21/572643521.db2.gz KAECYRVUACCLDU-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN CC[C@@H](O)CN1CCCCCCC1=O 48235528 572638933 /nfs/dbraw/zinc/63/89/33/572638933.db2.gz VMSGRUIPWOBPOP-SNVBAGLBSA-N 0 0 199.294 1.550 10 0 ADAERN COc1cc(N)cc(CCCO)c1 238376200 572638942 /nfs/dbraw/zinc/63/89/42/572638942.db2.gz KFCFYJMDIADTAO-UHFFFAOYSA-N 0 0 181.235 1.202 10 0 ADAERN Cc1c(C=O)cnn1-c1ccccn1 48218285 572638992 /nfs/dbraw/zinc/63/89/92/572638992.db2.gz SZVYIBYKEXGYRW-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN C/C=C\CCNC(=O)[C@H]1CCSC1 308083441 572638995 /nfs/dbraw/zinc/63/89/95/572638995.db2.gz CBCLLJDXTWCGFZ-XADBCAIWSA-N 0 0 199.319 1.822 10 0 ADAERN 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/nfs/dbraw/zinc/64/22/71/572642271.db2.gz KQNDGLOUCNLJFD-JGVFFNPUSA-N 0 0 170.208 1.165 10 0 ADAERN COC(=O)C1(NC(C)(C)C)CCCC1 238374242 572642302 /nfs/dbraw/zinc/64/23/02/572642302.db2.gz JRXVYICXIAMTAG-UHFFFAOYSA-N 0 0 199.294 1.860 10 0 ADAERN c1ncc(C[NH2+]C[C@@H]2CCCS2)o1 87667870 572647769 /nfs/dbraw/zinc/64/77/69/572647769.db2.gz PAAXDKOKLWYESB-VIFPVBQESA-N 0 0 198.291 1.660 10 0 ADAERN CO[C@H]1OCCC[C@H]1CCCO 238373662 572642570 /nfs/dbraw/zinc/64/25/70/572642570.db2.gz WMYXTZNHXJXQOA-BDAKNGLRSA-N 0 0 174.240 1.158 10 0 ADAERN CCCCC[C@H](C)[C@H](O)C(=O)OC 87649394 572642595 /nfs/dbraw/zinc/64/25/95/572642595.db2.gz VSXJLWYNVIGHTN-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN CCC[C@@](C)(O)Cc1ncnn1CC 87648460 572642601 /nfs/dbraw/zinc/64/26/01/572642601.db2.gz VFBUHEMPZIBSEA-SNVBAGLBSA-N 0 0 197.282 1.392 10 0 ADAERN COc1ccccc1[C@H](O)[C@@H](C)CO 238373392 572642602 /nfs/dbraw/zinc/64/26/02/572642602.db2.gz JNOONTGZAPJLAA-GZMMTYOYSA-N 0 0 196.246 1.357 10 0 ADAERN OC1C2(CCC2)C(O)C12CCC2 238659967 572642606 /nfs/dbraw/zinc/64/26/06/572642606.db2.gz PRUNZIGLRIUINW-UHFFFAOYSA-N 0 0 168.236 1.062 10 0 ADAERN CCCCC[C@@](C)(O)C(=O)OCC 87649610 572642633 /nfs/dbraw/zinc/64/26/33/572642633.db2.gz WNMPNJLRNYVHLN-SNVBAGLBSA-N 0 0 188.267 1.881 10 0 ADAERN CCC[C@@](C)(O)c1cnn(CC)c1 87648800 572642641 /nfs/dbraw/zinc/64/26/41/572642641.db2.gz IQWYSWLKWQFWPM-SNVBAGLBSA-N 0 0 182.267 1.911 10 0 ADAERN Cc1cc(O)cc2c1CCC(=O)C2 714116333 572642675 /nfs/dbraw/zinc/64/26/75/572642675.db2.gz XLZANMDPMAJZPB-UHFFFAOYSA-N 0 0 176.215 1.758 10 0 ADAERN CCCCC/C(C)=C1/CC(=O)NC1=O 87649775 572649257 /nfs/dbraw/zinc/64/92/57/572649257.db2.gz BVYOGEBGSWDHIB-HJWRWDBZSA-N 0 0 195.262 1.930 10 0 ADAERN CSC[C@H](O)C(=O)OC(C)(C)C 238374270 572642798 /nfs/dbraw/zinc/64/27/98/572642798.db2.gz KVZCENGFFNMYOF-LURJTMIESA-N 0 0 192.280 1.052 10 0 ADAERN C[C@@H]1CC[N@@H+](C2CC2)CC[C@H]1C(=O)[O-] 251777952 572642815 /nfs/dbraw/zinc/64/28/15/572642815.db2.gz VVPKFUQKXVWIDX-PSASIEDQSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1ccc(F)c2c1C(=O)NCC2 207711214 572642869 /nfs/dbraw/zinc/64/28/69/572642869.db2.gz BCCBTXHIACAZNB-UHFFFAOYSA-N 0 0 179.194 1.420 10 0 ADAERN CCCCC[C@](C)([NH2+]C)C(=O)[O-] 87648669 572642879 /nfs/dbraw/zinc/64/28/79/572642879.db2.gz XKYRUKQNXSJGNM-VIFPVBQESA-N 0 0 173.256 1.629 10 0 ADAERN Cc1ccccc1OC/C=C\CO 714521742 572642923 /nfs/dbraw/zinc/64/29/23/572642923.db2.gz NRKZWVJMYPSHNI-PLNGDYQASA-N 0 0 178.231 1.922 10 0 ADAERN CCC[C@@](C)(O)Cc1nccn1CC 87648470 572642927 /nfs/dbraw/zinc/64/29/27/572642927.db2.gz XTUDUUVFFBZPQA-LLVKDONJSA-N 0 0 196.294 1.997 10 0 ADAERN OC[C@@H](O)CSCC=C1CCC1 308082205 572642937 /nfs/dbraw/zinc/64/29/37/572642937.db2.gz KIXFBZJFBPYJOT-SECBINFHSA-N 0 0 188.292 1.183 10 0 ADAERN Cc1ccc(CO)c(OCC2CC2)n1 688709741 572642999 /nfs/dbraw/zinc/64/29/99/572642999.db2.gz IYSLCPRONNYPHN-UHFFFAOYSA-N 0 0 193.246 1.671 10 0 ADAERN C/C=C\C(=O)N1CC(C2CC2)C1 308082026 572643042 /nfs/dbraw/zinc/64/30/42/572643042.db2.gz KASOELPRSKHRBE-IHWYPQMZSA-N 0 0 165.236 1.431 10 0 ADAERN O=C1NCCCC[C@@H]1COCC1CC1 236404537 572643058 /nfs/dbraw/zinc/64/30/58/572643058.db2.gz QARMNVYYFDUDBW-SNVBAGLBSA-N 0 0 197.278 1.329 10 0 ADAERN CCC[C@@](C)(O)Cc1cnn(CC)c1 87648704 572643084 /nfs/dbraw/zinc/64/30/84/572643084.db2.gz XKGWTCIBWDSBJQ-LLVKDONJSA-N 0 0 196.294 1.997 10 0 ADAERN CC/C=C/C(=O)N[C@H](C)COC 308082317 572643099 /nfs/dbraw/zinc/64/30/99/572643099.db2.gz KPRQEZKXSBAJNZ-HQZHTGGTSA-N 0 0 171.240 1.104 10 0 ADAERN CCC[C@](C)(O)Cc1cc(C)nn1C 87648407 572643177 /nfs/dbraw/zinc/64/31/77/572643177.db2.gz RVLQMDGZTVVAFT-NSHDSACASA-N 0 0 196.294 1.822 10 0 ADAERN C/C=C(/C)[C@H](O)C(C)C 207432048 572643233 /nfs/dbraw/zinc/64/32/33/572643233.db2.gz DHHMVDDMFQPFDW-GRKOMRHMSA-N 0 0 128.215 1.970 10 0 ADAERN CO[C@@H](CC(C)=O)[C@H]1C=CCC1 238374921 572643235 /nfs/dbraw/zinc/64/32/35/572643235.db2.gz YFHWMHSBSXJBKM-UWVGGRQHSA-N 0 0 168.236 1.947 10 0 ADAERN CCC[C@](C)(O)Cc1ncnn1CC 87648459 572643263 /nfs/dbraw/zinc/64/32/63/572643263.db2.gz VFBUHEMPZIBSEA-JTQLQIEISA-N 0 0 197.282 1.392 10 0 ADAERN CCCCC[C@](C)(NC)C(=O)OC 87648705 572643279 /nfs/dbraw/zinc/64/32/79/572643279.db2.gz HRKXOILIOLKSNC-JTQLQIEISA-N 0 0 187.283 1.718 10 0 ADAERN CCC[C@](C)(O)Cc1cnn(CC)c1 87648703 572643296 /nfs/dbraw/zinc/64/32/96/572643296.db2.gz XKGWTCIBWDSBJQ-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN CCC[C@](C)(O)Cc1ccnc(N)c1 87649447 572643326 /nfs/dbraw/zinc/64/33/26/572643326.db2.gz OSFYSLRGNYHLNI-NSHDSACASA-N 0 0 194.278 1.757 10 0 ADAERN CCCCC[C@@H](C)[C@H](O)C(=O)OC 87649393 572643354 /nfs/dbraw/zinc/64/33/54/572643354.db2.gz VSXJLWYNVIGHTN-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN CCCCC[C@](C)(C(=O)[O-])[NH+](C)C 87649540 572643430 /nfs/dbraw/zinc/64/34/30/572643430.db2.gz DCKMJDJHJISVLN-SNVBAGLBSA-N 0 0 187.283 1.972 10 0 ADAERN CO[C@@H](CC(C)=O)OCC(C)C 238374851 572643444 /nfs/dbraw/zinc/64/34/44/572643444.db2.gz LKWBMMCJQKTDFM-SECBINFHSA-N 0 0 174.240 1.611 10 0 ADAERN C/C=C(\C)[C@]1(O)C[C@@H]1CCO 307852923 572643539 /nfs/dbraw/zinc/64/35/39/572643539.db2.gz BOOOJBJLKJBLFM-GPEYXKODSA-N 0 0 156.225 1.086 10 0 ADAERN CSC[C@](C)(CO)c1ccncc1 238375091 572643561 /nfs/dbraw/zinc/64/35/61/572643561.db2.gz FJQJJOYYTXFPEM-JTQLQIEISA-N 0 0 197.303 1.695 10 0 ADAERN COC(=O)C1([C@H](O)C(C)(C)C)CC1 238374895 572643585 /nfs/dbraw/zinc/64/35/85/572643585.db2.gz DRQTYPBYUHGWML-SSDOTTSWSA-N 0 0 186.251 1.347 10 0 ADAERN C/C=C(\C)[C@]1(O)C[C@H]1CCO 307852919 572643595 /nfs/dbraw/zinc/64/35/95/572643595.db2.gz BOOOJBJLKJBLFM-FWZCLXCUSA-N 0 0 156.225 1.086 10 0 ADAERN COC(=O)[C@@H](NC(C)(C)C)[C@H](C)F 238378433 572643608 /nfs/dbraw/zinc/64/36/08/572643608.db2.gz QCRPNWKURXPDQB-BQBZGAKWSA-N 0 0 191.246 1.274 10 0 ADAERN CCCCC[C@]1(C)CC(=O)NC1=O 87648379 572643610 /nfs/dbraw/zinc/64/36/10/572643610.db2.gz AFCVQBNIWIPNJX-SNVBAGLBSA-N 0 0 183.251 1.620 10 0 ADAERN CC/C=C\SC[C@@H]([NH3+])C(=O)[O-] 307852757 572643726 /nfs/dbraw/zinc/64/37/26/572643726.db2.gz BLDFZNJAYHKDJE-KGJQDRRLSA-N 0 0 175.253 1.055 10 0 ADAERN CC/C=C\C(=O)N[C@H](C)COC 308082319 572645108 /nfs/dbraw/zinc/64/51/08/572645108.db2.gz KPRQEZKXSBAJNZ-RPSMYOMKSA-N 0 0 171.240 1.104 10 0 ADAERN CCCCC[C@@](C)(C(=O)[O-])[NH+](C)C 87649539 572643796 /nfs/dbraw/zinc/64/37/96/572643796.db2.gz DCKMJDJHJISVLN-JTQLQIEISA-N 0 0 187.283 1.972 10 0 ADAERN CO[C@@H](CC(C)=O)[C@@H]1C=CCC1 238374948 572643802 /nfs/dbraw/zinc/64/38/02/572643802.db2.gz YFHWMHSBSXJBKM-ZJUUUORDSA-N 0 0 168.236 1.947 10 0 ADAERN C[C@@H]1CC[N@H+](C)[C@H](C)[C@H]1C(=O)[O-] 251797350 572643812 /nfs/dbraw/zinc/64/38/12/572643812.db2.gz XQHPAQHRZMFHBK-PRJMDXOYSA-N 0 0 171.240 1.047 10 0 ADAERN CCCOC(=O)CCC(F)F 307851369 572643823 /nfs/dbraw/zinc/64/38/23/572643823.db2.gz BNKICKZDPOGOMS-UHFFFAOYSA-N 0 0 166.167 1.985 10 0 ADAERN COC(=O)C1([C@@H](O)C(C)(C)C)CC1 238374874 572643845 /nfs/dbraw/zinc/64/38/45/572643845.db2.gz DRQTYPBYUHGWML-ZETCQYMHSA-N 0 0 186.251 1.347 10 0 ADAERN CCC[C@@](C)(O)COC(C)C 87649290 572643969 /nfs/dbraw/zinc/64/39/69/572643969.db2.gz AMPCEKGCPZOQMK-SECBINFHSA-N 0 0 160.257 1.963 10 0 ADAERN CC(=O)O[C@@H](C)CC/C=C/CO 238374630 572643985 /nfs/dbraw/zinc/64/39/85/572643985.db2.gz IHOGTUIZRYPKET-WGAJWPLOSA-N 0 0 172.224 1.267 10 0 ADAERN CCCCC[C@](C)(O)C(=O)OC 87649607 572644050 /nfs/dbraw/zinc/64/40/50/572644050.db2.gz ZTCZJAZLZIZCIR-VIFPVBQESA-N 0 0 174.240 1.491 10 0 ADAERN CCC[C@](C)(O)c1ccnn1CC 87649273 572644078 /nfs/dbraw/zinc/64/40/78/572644078.db2.gz YCGRBQPQVZAEJO-JTQLQIEISA-N 0 0 182.267 1.911 10 0 ADAERN CC(C)=CC1CC(=O)C1 207692712 572644110 /nfs/dbraw/zinc/64/41/10/572644110.db2.gz NUMFFEXQRYWCBD-UHFFFAOYSA-N 0 0 124.183 1.932 10 0 ADAERN CCC[C@@](C)(O)Cc1ccnc(N)c1 87649448 572644489 /nfs/dbraw/zinc/64/44/89/572644489.db2.gz OSFYSLRGNYHLNI-LLVKDONJSA-N 0 0 194.278 1.757 10 0 ADAERN CCC[C@@](C)(O)Cc1cccnc1N 87649354 572644494 /nfs/dbraw/zinc/64/44/94/572644494.db2.gz ZQXWIBOPHQWXRY-LLVKDONJSA-N 0 0 194.278 1.757 10 0 ADAERN CCCCC[C@H](C)[C@@H](O)C(=O)OC 87649396 572644532 /nfs/dbraw/zinc/64/45/32/572644532.db2.gz VSXJLWYNVIGHTN-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN CC(C)[C@@H]1[C@@H](C(=O)[O-])[C@H](C)CC[N@@H+]1C 251788955 572644544 /nfs/dbraw/zinc/64/45/44/572644544.db2.gz WXWPZUKRAYWQIZ-KXUCPTDWSA-N 0 0 199.294 1.683 10 0 ADAERN Cc1cc(C)n([C@H](C)CC(N)=S)n1 48248924 572644548 /nfs/dbraw/zinc/64/45/48/572644548.db2.gz MHRHZRJAEGFPMG-MRVPVSSYSA-N 0 0 197.307 1.737 10 0 ADAERN C[C@H]1[C@H](C(=O)[O-])[C@H](C)CC[N@@H+]1C 251797341 572644600 /nfs/dbraw/zinc/64/46/00/572644600.db2.gz XQHPAQHRZMFHBK-GJMOJQLCSA-N 0 0 171.240 1.047 10 0 ADAERN CCc1ncc([C@@H](C)O)s1 54160696 572644618 /nfs/dbraw/zinc/64/46/18/572644618.db2.gz IPXOYLIXKIWPRT-RXMQYKEDSA-N 0 0 157.238 1.759 10 0 ADAERN CCCCC[C@@H](C)[C@@H](O)C(=O)OC 87649395 572644623 /nfs/dbraw/zinc/64/46/23/572644623.db2.gz VSXJLWYNVIGHTN-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN CCCCC[C@](C)(O)C(=O)OCC 87649609 572644660 /nfs/dbraw/zinc/64/46/60/572644660.db2.gz WNMPNJLRNYVHLN-JTQLQIEISA-N 0 0 188.267 1.881 10 0 ADAERN COc1cc2c(cc1C)C(=O)CO2 714117241 572644671 /nfs/dbraw/zinc/64/46/71/572644671.db2.gz ROENXBDTMQZGQG-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN CC(C)c1ccc(N)c2c1OCC2=O 714117262 572644680 /nfs/dbraw/zinc/64/46/80/572644680.db2.gz SDFFMCMEGGVSOM-UHFFFAOYSA-N 0 0 191.230 1.967 10 0 ADAERN C/C=C\C(=O)NCCCCF 307854984 572644729 /nfs/dbraw/zinc/64/47/29/572644729.db2.gz CAPUFTJLVMGAKY-DJWKRKHSSA-N 0 0 159.204 1.428 10 0 ADAERN C[C@H]1[C@@H](C(=O)[O-])[C@H](C)CC[N@@H+]1C 251797334 572644736 /nfs/dbraw/zinc/64/47/36/572644736.db2.gz XQHPAQHRZMFHBK-CSMHCCOUSA-N 0 0 171.240 1.047 10 0 ADAERN CC[C@@H]1[C@H](C)C[N@H+](C)C[C@H]1C(=O)[O-] 251783638 572644764 /nfs/dbraw/zinc/64/47/64/572644764.db2.gz WZFCJKJFWISPIF-IWSPIJDZSA-N 0 0 185.267 1.295 10 0 ADAERN O=C1CCc2c(ccc3c2CCO3)C1 714117303 572644811 /nfs/dbraw/zinc/64/48/11/572644811.db2.gz WHAWVLJAKIVOAU-UHFFFAOYSA-N 0 0 188.226 1.679 10 0 ADAERN CC(C)[C@@H]1[C@@H](C(=O)[O-])[C@@H](C)CC[N@@H+]1C 251788959 572644886 /nfs/dbraw/zinc/64/48/86/572644886.db2.gz WXWPZUKRAYWQIZ-LPEHRKFASA-N 0 0 199.294 1.683 10 0 ADAERN CCC[C@](C)(O)Cc1cnn(C)c1 87648551 572644899 /nfs/dbraw/zinc/64/48/99/572644899.db2.gz VCYMRRQLVZIPPL-JTQLQIEISA-N 0 0 182.267 1.514 10 0 ADAERN CCC[C@@](C)(O)Cc1nccn1C 87648618 572644988 /nfs/dbraw/zinc/64/49/88/572644988.db2.gz RDNYLIXVNROTJU-SNVBAGLBSA-N 0 0 182.267 1.514 10 0 ADAERN Cc1cc2c(c(C)c1N)CC(=O)CC2 714117152 572644993 /nfs/dbraw/zinc/64/49/93/572644993.db2.gz PJQWNRZLEHSTAD-UHFFFAOYSA-N 0 0 189.258 1.943 10 0 ADAERN C[C@@H](O)CC[C@@H](O)c1ccco1 238379547 572645042 /nfs/dbraw/zinc/64/50/42/572645042.db2.gz FPZRMMRHSWVWHJ-HTQZYQBOSA-N 0 0 170.208 1.474 10 0 ADAERN CCC[C@@](C)(O)Cc1cc(C)nn1C 87648408 572645182 /nfs/dbraw/zinc/64/51/82/572645182.db2.gz RVLQMDGZTVVAFT-LLVKDONJSA-N 0 0 196.294 1.822 10 0 ADAERN Cc1nccn1[C@H](C)CC(N)=S 48248915 572645253 /nfs/dbraw/zinc/64/52/53/572645253.db2.gz IHSXRUDUWRWSBK-ZCFIWIBFSA-N 0 0 183.280 1.429 10 0 ADAERN CCCCC[C@@](C)(NC)C(=O)OC 87648706 572645375 /nfs/dbraw/zinc/64/53/75/572645375.db2.gz HRKXOILIOLKSNC-SNVBAGLBSA-N 0 0 187.283 1.718 10 0 ADAERN CCC[C@](C)(O)Cc1nccn1CC 87648469 572645381 /nfs/dbraw/zinc/64/53/81/572645381.db2.gz XTUDUUVFFBZPQA-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN CCC[C@@](C)(O)c1nccn1CC 87649280 572645411 /nfs/dbraw/zinc/64/54/11/572645411.db2.gz OBQVRLAUJUSFSQ-SNVBAGLBSA-N 0 0 182.267 1.911 10 0 ADAERN C[C@H](CC(N)=S)n1ccnc1 48248902 572645415 /nfs/dbraw/zinc/64/54/15/572645415.db2.gz BDHAAVQIRNPIMB-ZCFIWIBFSA-N 0 0 169.253 1.120 10 0 ADAERN CCCCC[C@@]1(C)CC(=O)NC1=O 87648380 572645428 /nfs/dbraw/zinc/64/54/28/572645428.db2.gz AFCVQBNIWIPNJX-JTQLQIEISA-N 0 0 183.251 1.620 10 0 ADAERN CCc1ncc([C@H](C)O)s1 54160697 572645459 /nfs/dbraw/zinc/64/54/59/572645459.db2.gz IPXOYLIXKIWPRT-YFKPBYRVSA-N 0 0 157.238 1.759 10 0 ADAERN CC[C@H](C)COC(=O)C(F)F 307854603 572645462 /nfs/dbraw/zinc/64/54/62/572645462.db2.gz CWXKXBBBYRPIBR-YFKPBYRVSA-N 0 0 166.167 1.841 10 0 ADAERN C[C@H](O)c1cnc(CN(C)C)s1 54160678 572645466 /nfs/dbraw/zinc/64/54/66/572645466.db2.gz HFTWSEVFZSJIHP-LURJTMIESA-N 0 0 186.280 1.258 10 0 ADAERN Cc1nccn1[C@@H](C)CC(N)=S 48248912 572645476 /nfs/dbraw/zinc/64/54/76/572645476.db2.gz IHSXRUDUWRWSBK-LURJTMIESA-N 0 0 183.280 1.429 10 0 ADAERN CCCOC[C@](C)(O)CCC 87649416 572645484 /nfs/dbraw/zinc/64/54/84/572645484.db2.gz KAECYRVUACCLDU-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CC(=O)O[C@@H](CO)SC(C)C 307854858 572645551 /nfs/dbraw/zinc/64/55/51/572645551.db2.gz CPPRIHUITNEMPZ-SSDOTTSWSA-N 0 0 178.253 1.010 10 0 ADAERN CC(=O)O[C@H](CO)SC(C)C 307854860 572645565 /nfs/dbraw/zinc/64/55/65/572645565.db2.gz CPPRIHUITNEMPZ-ZETCQYMHSA-N 0 0 178.253 1.010 10 0 ADAERN CCOc1ccc(N)c2c1C(=O)CO2 714117151 572645570 /nfs/dbraw/zinc/64/55/70/572645570.db2.gz PHDKHUWXRSAIJQ-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN CCC[C@@](C)(O)Cc1cnn(C)c1 87648552 572645574 /nfs/dbraw/zinc/64/55/74/572645574.db2.gz VCYMRRQLVZIPPL-SNVBAGLBSA-N 0 0 182.267 1.514 10 0 ADAERN CC[C@@H](SC(C)=O)[C@@H](C)CO 307854782 572645591 /nfs/dbraw/zinc/64/55/91/572645591.db2.gz CKSOHMMFWQEQCH-POYBYMJQSA-N 0 0 176.281 1.673 10 0 ADAERN CCC[C@](C)(O)Cc1cccnc1N 87649353 572645603 /nfs/dbraw/zinc/64/56/03/572645603.db2.gz ZQXWIBOPHQWXRY-NSHDSACASA-N 0 0 194.278 1.757 10 0 ADAERN CON(C)C(=O)c1cc(C)sc1C 70154113 572645608 /nfs/dbraw/zinc/64/56/08/572645608.db2.gz AEINLQLKIYJRSA-UHFFFAOYSA-N 0 0 199.275 1.998 10 0 ADAERN O=C(Nc1ncc[nH]1)[C@@H]1CC=CCC1 70152595 572645675 /nfs/dbraw/zinc/64/56/75/572645675.db2.gz IJFUXNVMKJMVQP-MRVPVSSYSA-N 0 0 191.234 1.126 10 0 ADAERN C[C@H](F)CCN(C)CC(F)F 307854948 572645823 /nfs/dbraw/zinc/64/58/23/572645823.db2.gz BZOOCXNHIXEXGM-LURJTMIESA-N 0 0 169.190 1.931 10 0 ADAERN CCCCC[C@@](C)(O)C(=O)OC 87649608 572645829 /nfs/dbraw/zinc/64/58/29/572645829.db2.gz ZTCZJAZLZIZCIR-SECBINFHSA-N 0 0 174.240 1.491 10 0 ADAERN CCc1ccc(F)c2c1C(=O)CO2 714117139 572645857 /nfs/dbraw/zinc/64/58/57/572645857.db2.gz MSPAPZLIOWPTTB-UHFFFAOYSA-N 0 0 180.178 1.963 10 0 ADAERN O=C(CCCCO)OC/C=C\Cl 308085821 572645870 /nfs/dbraw/zinc/64/58/70/572645870.db2.gz NSRFHKFBWHIFEG-HYXAFXHYSA-N 0 0 192.642 1.445 10 0 ADAERN CCCC(=O)CC/C=C/CO 307855177 572645915 /nfs/dbraw/zinc/64/59/15/572645915.db2.gz GUWFQPQVEJFOIN-HWKANZROSA-N 0 0 156.225 1.684 10 0 ADAERN Cc1cc(C)n([C@@H](C)CC(N)=S)n1 48248920 572646036 /nfs/dbraw/zinc/64/60/36/572646036.db2.gz MHRHZRJAEGFPMG-QMMMGPOBSA-N 0 0 197.307 1.737 10 0 ADAERN Cc1cnn([C@H](C)CC(N)=S)c1 48248993 572646069 /nfs/dbraw/zinc/64/60/69/572646069.db2.gz GIICEIMQXAQXKN-SSDOTTSWSA-N 0 0 183.280 1.429 10 0 ADAERN O=C(Nc1ncc[nH]1)[C@H]1CC=CCC1 70152594 572646107 /nfs/dbraw/zinc/64/61/07/572646107.db2.gz IJFUXNVMKJMVQP-QMMMGPOBSA-N 0 0 191.234 1.126 10 0 ADAERN CCC[C@](C)(O)c1cnn(CC)c1 87648799 572646130 /nfs/dbraw/zinc/64/61/30/572646130.db2.gz IQWYSWLKWQFWPM-JTQLQIEISA-N 0 0 182.267 1.911 10 0 ADAERN CCCCC[C@@](C)([NH2+]C)C(=O)[O-] 87648670 572646252 /nfs/dbraw/zinc/64/62/52/572646252.db2.gz XKYRUKQNXSJGNM-SECBINFHSA-N 0 0 173.256 1.629 10 0 ADAERN CCC[C@@](C)(O)c1ccnn1CC 87649274 572646263 /nfs/dbraw/zinc/64/62/63/572646263.db2.gz YCGRBQPQVZAEJO-SNVBAGLBSA-N 0 0 182.267 1.911 10 0 ADAERN CCC[C@](C)(O)c1nccn1CC 87649279 572646276 /nfs/dbraw/zinc/64/62/76/572646276.db2.gz OBQVRLAUJUSFSQ-JTQLQIEISA-N 0 0 182.267 1.911 10 0 ADAERN C[C@@H](O)c1cnc(CN(C)C)s1 54160679 572646281 /nfs/dbraw/zinc/64/62/81/572646281.db2.gz HFTWSEVFZSJIHP-ZCFIWIBFSA-N 0 0 186.280 1.258 10 0 ADAERN CCC[C@](C)(O)Cc1nccn1C 87648617 572646169 /nfs/dbraw/zinc/64/61/69/572646169.db2.gz RDNYLIXVNROTJU-JTQLQIEISA-N 0 0 182.267 1.514 10 0 ADAERN CCC[C@](C)(O)COC(C)C 87649289 572646299 /nfs/dbraw/zinc/64/62/99/572646299.db2.gz AMPCEKGCPZOQMK-VIFPVBQESA-N 0 0 160.257 1.963 10 0 ADAERN CC(C)(C)SCC[C@@H](O)CO 307854597 572646304 /nfs/dbraw/zinc/64/63/04/572646304.db2.gz CWPIWPSQMNJQNJ-SSDOTTSWSA-N 0 0 178.297 1.261 10 0 ADAERN CCc1c(OC)ccc2c1C(=O)CO2 714117292 572646342 /nfs/dbraw/zinc/64/63/42/572646342.db2.gz VILPJXPDTBWQGX-UHFFFAOYSA-N 0 0 192.214 1.833 10 0 ADAERN C[C@@H](O)/C=C/C=C/CCCCO 238379483 572646364 /nfs/dbraw/zinc/64/63/64/572646364.db2.gz ZKTMLXPJZJKIRT-HVFNDGJBSA-N 0 0 170.252 1.642 10 0 ADAERN O=C(OCCCF)c1ccon1 308085437 572646377 /nfs/dbraw/zinc/64/63/77/572646377.db2.gz NIVLGECRIQQHRV-UHFFFAOYSA-N 0 0 173.143 1.191 10 0 ADAERN C[C@@H](F)CCN(C)CC(F)F 307854950 572646384 /nfs/dbraw/zinc/64/63/84/572646384.db2.gz BZOOCXNHIXEXGM-ZCFIWIBFSA-N 0 0 169.190 1.931 10 0 ADAERN CC[C@@H](SC(C)=O)[C@H](C)CO 307854780 572646389 /nfs/dbraw/zinc/64/63/89/572646389.db2.gz CKSOHMMFWQEQCH-HTRCEHHLSA-N 0 0 176.281 1.673 10 0 ADAERN COc1c(C)ccc2c1C(=O)CO2 714117240 572646450 /nfs/dbraw/zinc/64/64/50/572646450.db2.gz RNPWHYZCDJTREF-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN COc1ccc(/C=C\CO)o1 307851822 572646456 /nfs/dbraw/zinc/64/64/56/572646456.db2.gz AEPPZCYNXBDYDO-IHWYPQMZSA-N 0 0 154.165 1.294 10 0 ADAERN COc1ccc(O)c(O[C@@H](C)CO)c1 238378786 572646459 /nfs/dbraw/zinc/64/64/59/572646459.db2.gz IEAAFODZVXKBFC-ZETCQYMHSA-N 0 0 198.218 1.160 10 0 ADAERN O=C(CC1CCCC1)Nc1ncc[nH]1 70152667 572646470 /nfs/dbraw/zinc/64/64/70/572646470.db2.gz OTGWFBQUHCNTCY-UHFFFAOYSA-N 0 0 193.250 1.350 10 0 ADAERN C/C=C\C(=O)OCCC1CC1 307854386 572646474 /nfs/dbraw/zinc/64/64/74/572646474.db2.gz CSDZSFYBFGRTOJ-IHWYPQMZSA-N 0 0 154.209 1.906 10 0 ADAERN NOC/C=C\c1ccco1 714521968 572646529 /nfs/dbraw/zinc/64/65/29/572646529.db2.gz PXBAQUZCJUVICZ-RQOWECAXSA-N 0 0 139.154 1.183 10 0 ADAERN COCCCSC1=NCCS1 307854996 572646600 /nfs/dbraw/zinc/64/66/00/572646600.db2.gz CBAWBWJYSCJYNT-UHFFFAOYSA-N 0 0 191.321 1.859 10 0 ADAERN C[C@@H](CO)SCOC(C)(C)C 307854559 572646655 /nfs/dbraw/zinc/64/66/55/572646655.db2.gz CUPAOMNRQCXMHG-ZETCQYMHSA-N 0 0 178.297 1.873 10 0 ADAERN CCn1ccn(CCCC(C)=O)c1=O 87666560 572646658 /nfs/dbraw/zinc/64/66/58/572646658.db2.gz CUOSJEPAYKBIDW-UHFFFAOYSA-N 0 0 196.250 1.039 10 0 ADAERN C/C=C/C(=O)OCCC1CC1 307854390 572646727 /nfs/dbraw/zinc/64/67/27/572646727.db2.gz CSDZSFYBFGRTOJ-NSCUHMNNSA-N 0 0 154.209 1.906 10 0 ADAERN CC(C)n1ccn(CC[C@@H](C)O)c1=O 87666860 572646741 /nfs/dbraw/zinc/64/67/41/572646741.db2.gz SULXSNVXYDYHKD-SECBINFHSA-N 0 0 198.266 1.002 10 0 ADAERN C/C=C/C(=O)NCCCCF 307854987 572646911 /nfs/dbraw/zinc/64/69/11/572646911.db2.gz CAPUFTJLVMGAKY-GORDUTHDSA-N 0 0 159.204 1.428 10 0 ADAERN CCCCC[C@]1(C)C[NH+]=C(N)O1 87649937 572646929 /nfs/dbraw/zinc/64/69/29/572646929.db2.gz DUFHRJXXAYOKQJ-SECBINFHSA-N 0 0 170.256 1.670 10 0 ADAERN C/C=C/Cn1ccnc1C 70162752 572646936 /nfs/dbraw/zinc/64/69/36/572646936.db2.gz XBZAFVVXEIYVIQ-ONEGZZNKSA-N 0 0 136.198 1.768 10 0 ADAERN CC(C)(C)SCC[C@H](O)CO 307854600 572646959 /nfs/dbraw/zinc/64/69/59/572646959.db2.gz CWPIWPSQMNJQNJ-ZETCQYMHSA-N 0 0 178.297 1.261 10 0 ADAERN CCc1ccc(N)c2c1C(=O)CO2 714117163 572647008 /nfs/dbraw/zinc/64/70/08/572647008.db2.gz QFECTPUBMCWDGT-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN CCCC(=O)Cn1ccn(CC)c1=O 87666563 572647053 /nfs/dbraw/zinc/64/70/53/572647053.db2.gz BSGLZZVFUSZTQS-UHFFFAOYSA-N 0 0 196.250 1.039 10 0 ADAERN C/C=C\CCNC(=O)c1cn[nH]c1 308085526 572647145 /nfs/dbraw/zinc/64/71/45/572647145.db2.gz GOIDYJQDEFSUAI-IHWYPQMZSA-N 0 0 179.223 1.106 10 0 ADAERN CCCCC[C@@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 87649743 572647314 /nfs/dbraw/zinc/64/73/14/572647314.db2.gz OLVZWWVXNUAWIU-KOLCDFICSA-N 0 0 199.294 1.877 10 0 ADAERN CC(C)CCC[S@](=O)CCO 307852130 572647340 /nfs/dbraw/zinc/64/73/40/572647340.db2.gz ASAYYKMOADPXSE-NSHDSACASA-N 0 0 178.297 1.164 10 0 ADAERN O=C(OC[C@H]1CCSC1)C(F)F 308085827 572647411 /nfs/dbraw/zinc/64/74/11/572647411.db2.gz NTPCESBFXLWNQA-RXMQYKEDSA-N 0 0 196.218 1.548 10 0 ADAERN CCCCC[C@@]1(C)NC(=O)N=C1N 87650231 572647549 /nfs/dbraw/zinc/64/75/49/572647549.db2.gz LNCUCKDTJCXCGV-SECBINFHSA-N 0 0 183.255 1.615 10 0 ADAERN CSCC(=O)OC[C@@H]1C[C@H]1C 307852177 572647510 /nfs/dbraw/zinc/64/75/10/572647510.db2.gz AWOGRSITRBVCKY-RQJHMYQMSA-N 0 0 174.265 1.549 10 0 ADAERN CC[C@@H](C)OCCC(N)=S 48264704 572647583 /nfs/dbraw/zinc/64/75/83/572647583.db2.gz OEPKVYDSJOQQJH-ZCFIWIBFSA-N 0 0 161.270 1.478 10 0 ADAERN Cn1cnc2c(-n3ccnc3)nccc21 236123763 572647619 /nfs/dbraw/zinc/64/76/19/572647619.db2.gz YDYBTFDGAMLRAB-UHFFFAOYSA-N 0 0 199.217 1.154 10 0 ADAERN CC[C@H](C)OCCC(N)=S 48264706 572647659 /nfs/dbraw/zinc/64/76/59/572647659.db2.gz OEPKVYDSJOQQJH-LURJTMIESA-N 0 0 161.270 1.478 10 0 ADAERN CC/C=C/COC(=O)CSC 307856414 572647663 /nfs/dbraw/zinc/64/76/63/572647663.db2.gz DTDLYOZHDWOBTH-SNAWJCMRSA-N 0 0 174.265 1.859 10 0 ADAERN CSc1ccc2c(c1O)C(=O)CO2 714118908 572647699 /nfs/dbraw/zinc/64/76/99/572647699.db2.gz AFOXJPMAQRMJGP-UHFFFAOYSA-N 0 0 196.227 1.689 10 0 ADAERN CC(C)n1ccn(CC[C@H](C)O)c1=O 87666861 572647743 /nfs/dbraw/zinc/64/77/43/572647743.db2.gz SULXSNVXYDYHKD-VIFPVBQESA-N 0 0 198.266 1.002 10 0 ADAERN CCCCC[C@]1(C)C(N)=NC(=O)N1C 87650237 572647755 /nfs/dbraw/zinc/64/77/55/572647755.db2.gz MBKCQHYEMWTFDA-SNVBAGLBSA-N 0 0 197.282 1.958 10 0 ADAERN CCCCC[C@@]1(C)C[NH+]=C(N)O1 87649938 572647812 /nfs/dbraw/zinc/64/78/12/572647812.db2.gz DUFHRJXXAYOKQJ-VIFPVBQESA-N 0 0 170.256 1.670 10 0 ADAERN COC(=O)C1=C(O)C[C@@H]2CCC[C@@H]12 250367296 572647828 /nfs/dbraw/zinc/64/78/28/572647828.db2.gz LAZJMFOMANJSIQ-OOZYFLPDSA-N 0 0 182.219 1.165 10 0 ADAERN CC[C@@H](C)OCC(N)=S 48264740 572647845 /nfs/dbraw/zinc/64/78/45/572647845.db2.gz SBZJKLMDULYQOY-RXMQYKEDSA-N 0 0 147.243 1.088 10 0 ADAERN C#CCCOc1ccc(C=O)cc1C#N 236405914 572647872 /nfs/dbraw/zinc/64/78/72/572647872.db2.gz RBWNNGMMPCLESI-UHFFFAOYSA-N 0 0 199.209 1.773 10 0 ADAERN CCCCC[C@@](C)([NH3+])CC(=O)[O-] 87649793 572647894 /nfs/dbraw/zinc/64/78/94/572647894.db2.gz ITKXFCHHNVHHNE-SECBINFHSA-N 0 0 173.256 1.759 10 0 ADAERN CSc1ccc(O)c2c1OCC2=O 714117001 572647916 /nfs/dbraw/zinc/64/79/16/572647916.db2.gz AUCFEZUKYQLYKA-UHFFFAOYSA-N 0 0 196.227 1.689 10 0 ADAERN C/C=C\CCNc1ccc(N)nn1 308084827 572647951 /nfs/dbraw/zinc/64/79/51/572647951.db2.gz WTLZQHVETUFVMY-IHWYPQMZSA-N 0 0 178.239 1.437 10 0 ADAERN C[C@@H]1CN(N)C[C@@H](c2ccccc2)O1 251803629 572648000 /nfs/dbraw/zinc/64/80/00/572648000.db2.gz YENWUWIELXGZDD-KOLCDFICSA-N 0 0 192.262 1.322 10 0 ADAERN C/C=C\C(=O)NOCC(C)C 307856336 572648052 /nfs/dbraw/zinc/64/80/52/572648052.db2.gz HQJZGZPGANCJRZ-PLNGDYQASA-N 0 0 157.213 1.266 10 0 ADAERN CCCCC[C@@H](C)[C@H]1CC(=O)NC1=O 87649776 572648068 /nfs/dbraw/zinc/64/80/68/572648068.db2.gz OFIPFLRWUQOBNM-RKDXNWHRSA-N 0 0 197.278 1.866 10 0 ADAERN CCCCC[C@H](C)[N@H+](C)CC(=O)[O-] 87649799 572648078 /nfs/dbraw/zinc/64/80/78/572648078.db2.gz GHXOCXICYPEHHL-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN Cc1c[nH]c([C@@H]([NH3+])CCO)c1C 713730104 572648088 /nfs/dbraw/zinc/64/80/88/572648088.db2.gz UWLLMPJXGREJFC-QMMMGPOBSA-N 0 0 168.240 1.014 10 0 ADAERN CSCC(=O)OC[C@H]1C[C@@H]1C 307852175 572648116 /nfs/dbraw/zinc/64/81/16/572648116.db2.gz AWOGRSITRBVCKY-NKWVEPMBSA-N 0 0 174.265 1.549 10 0 ADAERN CC(=O)CCn1ccn(C(C)C)c1=O 87666624 572648123 /nfs/dbraw/zinc/64/81/23/572648123.db2.gz AYJMOESFXNLHNF-UHFFFAOYSA-N 0 0 196.250 1.210 10 0 ADAERN CCCCC[C@@]1(C)C[NH2+]CCO1 87649886 572648163 /nfs/dbraw/zinc/64/81/63/572648163.db2.gz TVLLFUCQHZXXDG-JTQLQIEISA-N 0 0 171.284 1.945 10 0 ADAERN O=C(OC[C@@H]1CCSC1)C(F)F 308085828 572648193 /nfs/dbraw/zinc/64/81/93/572648193.db2.gz NTPCESBFXLWNQA-YFKPBYRVSA-N 0 0 196.218 1.548 10 0 ADAERN CC[C@H](O)Cn1ccn(C(C)C)c1=O 87666706 572648230 /nfs/dbraw/zinc/64/82/30/572648230.db2.gz QNWJPFDBDIBQDS-VIFPVBQESA-N 0 0 198.266 1.002 10 0 ADAERN CCCCC[C@]1(C)C[NH2+]CCO1 87649885 572648353 /nfs/dbraw/zinc/64/83/53/572648353.db2.gz TVLLFUCQHZXXDG-SNVBAGLBSA-N 0 0 171.284 1.945 10 0 ADAERN CC/C=C/CCNC(=O)CC 307856277 572648430 /nfs/dbraw/zinc/64/84/30/572648430.db2.gz HMQAZBRDMNZZQA-AATRIKPKSA-N 0 0 155.241 1.869 10 0 ADAERN COC(=O)C1=C(O)C[C@@H]2CCC[C@H]12 250367298 572648475 /nfs/dbraw/zinc/64/84/75/572648475.db2.gz LAZJMFOMANJSIQ-ZKWXMUAHSA-N 0 0 182.219 1.165 10 0 ADAERN CCCCC[C@@H](C)[N@H+](C)CC(=O)[O-] 87649798 572648483 /nfs/dbraw/zinc/64/84/83/572648483.db2.gz GHXOCXICYPEHHL-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN Cn1cnc2c(-n3cccn3)nccc21 236123749 572648512 /nfs/dbraw/zinc/64/85/12/572648512.db2.gz YVZJYTOYZCIBBQ-UHFFFAOYSA-N 0 0 199.217 1.154 10 0 ADAERN C/C=C(/CCO)CCC(C)=O 307856263 572648529 /nfs/dbraw/zinc/64/85/29/572648529.db2.gz HLSJATWKLBGYKZ-YCRREMRBSA-N 0 0 156.225 1.684 10 0 ADAERN CCCCC[C@H](C)[C@H]1CC(=O)NC1=O 87649777 572648563 /nfs/dbraw/zinc/64/85/63/572648563.db2.gz OFIPFLRWUQOBNM-DTWKUNHWSA-N 0 0 197.278 1.866 10 0 ADAERN CC(=O)CCOC1CCCC1 70162213 572648615 /nfs/dbraw/zinc/64/86/15/572648615.db2.gz ZJETUSBLKIEYHH-UHFFFAOYSA-N 0 0 156.225 1.925 10 0 ADAERN C[C@H]1CCC[C@@H](C)[C@]1(C[NH3+])CC(=O)[O-] 251978000 572648673 /nfs/dbraw/zinc/64/86/73/572648673.db2.gz YNGGHBDQOLUPSB-DOFRTFSJSA-N 0 0 199.294 1.862 10 0 ADAERN CCCCC[C@](C)([NH3+])CC(=O)[O-] 87649792 572648714 /nfs/dbraw/zinc/64/87/14/572648714.db2.gz ITKXFCHHNVHHNE-VIFPVBQESA-N 0 0 173.256 1.759 10 0 ADAERN CCCn1ccn(CC(=O)CC)c1=O 87666606 572648774 /nfs/dbraw/zinc/64/87/74/572648774.db2.gz YFEKYEXOIKMDQT-UHFFFAOYSA-N 0 0 196.250 1.039 10 0 ADAERN CCCn1ccn(CCC(C)=O)c1=O 87666608 572648838 /nfs/dbraw/zinc/64/88/38/572648838.db2.gz XQWGKNYMQLCAER-UHFFFAOYSA-N 0 0 196.250 1.039 10 0 ADAERN O=C(CCCCO)OC/C=C/Cl 308085820 572648895 /nfs/dbraw/zinc/64/88/95/572648895.db2.gz NSRFHKFBWHIFEG-HWKANZROSA-N 0 0 192.642 1.445 10 0 ADAERN CC/C=C(\C)C(=O)N(C)[C@@H](C)CO 308085841 572648928 /nfs/dbraw/zinc/64/89/28/572648928.db2.gz AALRZMWXAINLPE-ORZBULNSSA-N 0 0 185.267 1.182 10 0 ADAERN CC/C=C(\C)[C@H](O)[C@H](C)CO 307851843 572648979 /nfs/dbraw/zinc/64/89/79/572648979.db2.gz AGGJLNUQPBXFIQ-FQDVODHFSA-N 0 0 158.241 1.332 10 0 ADAERN Cc1noc(CNC(C)(C)C)n1 70162337 572649089 /nfs/dbraw/zinc/64/90/89/572649089.db2.gz IJOIULMPUPBHCX-UHFFFAOYSA-N 0 0 169.228 1.266 10 0 ADAERN CCCCC[C@]1(C)C[NH2+]C[C@H]1C(=O)[O-] 87649744 572649159 /nfs/dbraw/zinc/64/91/59/572649159.db2.gz OLVZWWVXNUAWIU-GXSJLCMTSA-N 0 0 199.294 1.877 10 0 ADAERN CC(C)n1ccn(CCCCO)c1=O 87666695 572649203 /nfs/dbraw/zinc/64/92/03/572649203.db2.gz GATUNUQDQVPTQA-UHFFFAOYSA-N 0 0 198.266 1.003 10 0 ADAERN CCOC(=O)C(F)=C(N)CC 307856254 572649265 /nfs/dbraw/zinc/64/92/65/572649265.db2.gz HLDXXMTZLPIORK-WAYWQWQTSA-N 0 0 161.176 1.099 10 0 ADAERN CCCCC[C@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 87649742 572649240 /nfs/dbraw/zinc/64/92/40/572649240.db2.gz OLVZWWVXNUAWIU-MWLCHTKSSA-N 0 0 199.294 1.877 10 0 ADAERN CC/C=C\COC(=O)CSC 307856412 572649294 /nfs/dbraw/zinc/64/92/94/572649294.db2.gz DTDLYOZHDWOBTH-PLNGDYQASA-N 0 0 174.265 1.859 10 0 ADAERN CC[C@@H]1[C@@H](C(=O)[O-])C[C@@H](C)C[N@@H+]1C 251819354 572649341 /nfs/dbraw/zinc/64/93/41/572649341.db2.gz ZMNUEYSBWDEEIP-HRDYMLBCSA-N 0 0 185.267 1.437 10 0 ADAERN Cc1ccc(N(C)C)c2c1C(=O)CO2 714117016 572649385 /nfs/dbraw/zinc/64/93/85/572649385.db2.gz BXBANHIQFPNVJB-UHFFFAOYSA-N 0 0 191.230 1.636 10 0 ADAERN CC[C@@H](O)Cn1ccn(C(C)C)c1=O 87666707 572649415 /nfs/dbraw/zinc/64/94/15/572649415.db2.gz QNWJPFDBDIBQDS-SECBINFHSA-N 0 0 198.266 1.002 10 0 ADAERN CO[C@H]1CCC[C@@H](Nc2cn[nH]c2)C1 234780062 572649439 /nfs/dbraw/zinc/64/94/39/572649439.db2.gz CVFICZJXZZQCBO-SCZZXKLOSA-N 0 0 195.266 1.779 10 0 ADAERN COCC/C=C/CCC(C)=O 307852505 572649442 /nfs/dbraw/zinc/64/94/42/572649442.db2.gz DKYIMTFEQBWHJE-ONEGZZNKSA-N 0 0 156.225 1.948 10 0 ADAERN CC/C=C\C(=O)NCC(F)F 307856384 572649473 /nfs/dbraw/zinc/64/94/73/572649473.db2.gz DQVIQFNPPMBMAZ-ARJAWSKDSA-N 0 0 163.167 1.334 10 0 ADAERN CCC(=O)[C@@H](C)n1ccn(CC)c1=O 87666552 572649664 /nfs/dbraw/zinc/64/96/64/572649664.db2.gz BEYXWTVOBOIPAA-MRVPVSSYSA-N 0 0 196.250 1.210 10 0 ADAERN CCC(=O)[C@H](C)n1ccn(CC)c1=O 87666553 572649674 /nfs/dbraw/zinc/64/96/74/572649674.db2.gz BEYXWTVOBOIPAA-QMMMGPOBSA-N 0 0 196.250 1.210 10 0 ADAERN CCCCC[C@@]1(C)C[NH2+]C[C@H]1C(=O)[O-] 87649745 572649687 /nfs/dbraw/zinc/64/96/87/572649687.db2.gz OLVZWWVXNUAWIU-ONGXEEELSA-N 0 0 199.294 1.877 10 0 ADAERN COCc1ccc(F)c(C(N)=S)c1 234780066 572649699 /nfs/dbraw/zinc/64/96/99/572649699.db2.gz YLBWBNCKSCNJKO-UHFFFAOYSA-N 0 0 199.250 1.606 10 0 ADAERN CCCCC[C@H](C)[NH+]1CC(C(=O)[O-])C1 87649868 572649771 /nfs/dbraw/zinc/64/97/71/572649771.db2.gz YDRIUNTVKCZSAL-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCCCC[C@@H](C)[NH+]1CC(C(=O)[O-])C1 87649867 572649807 /nfs/dbraw/zinc/64/98/07/572649807.db2.gz YDRIUNTVKCZSAL-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CSCC(=O)OC[C@@H]1C[C@@H]1C 307852174 572649828 /nfs/dbraw/zinc/64/98/28/572649828.db2.gz AWOGRSITRBVCKY-BQBZGAKWSA-N 0 0 174.265 1.549 10 0 ADAERN CCCCC[C@]1(C)NC(=O)N=C1N 87650232 572649830 /nfs/dbraw/zinc/64/98/30/572649830.db2.gz LNCUCKDTJCXCGV-VIFPVBQESA-N 0 0 183.255 1.615 10 0 ADAERN O=C1NCCCC[C@H]1COCC1CC1 236405702 572649894 /nfs/dbraw/zinc/64/98/94/572649894.db2.gz QARMNVYYFDUDBW-JTQLQIEISA-N 0 0 197.278 1.329 10 0 ADAERN C[C@H](C(=O)C(C)(C)C)[C@@H](C)CO 238379604 572649936 /nfs/dbraw/zinc/64/99/36/572649936.db2.gz XYDQJVJNZTYBKN-YUMQZZPRSA-N 0 0 172.268 1.866 10 0 ADAERN CCC(=O)Cn1ccn(C(C)C)c1=O 87666622 572649954 /nfs/dbraw/zinc/64/99/54/572649954.db2.gz HIKKPOYSPMULPN-UHFFFAOYSA-N 0 0 196.250 1.210 10 0 ADAERN CCCCC[C@@]1(C)C(N)=NC(=O)N1C 87650238 572649966 /nfs/dbraw/zinc/64/99/66/572649966.db2.gz MBKCQHYEMWTFDA-JTQLQIEISA-N 0 0 197.282 1.958 10 0 ADAERN CC/C=C(\C)[C@H](O)[C@@H](C)CO 307851844 572650083 /nfs/dbraw/zinc/65/00/83/572650083.db2.gz AGGJLNUQPBXFIQ-NHELSVQFSA-N 0 0 158.241 1.332 10 0 ADAERN O=C(/C=C\C1CC1)N1CC(F)C1 308086200 572650136 /nfs/dbraw/zinc/65/01/36/572650136.db2.gz OBQLODXPSKQJPU-ARJAWSKDSA-N 0 0 169.199 1.133 10 0 ADAERN O=C(OCCO)c1occc1Cl 308086216 572650152 /nfs/dbraw/zinc/65/01/52/572650152.db2.gz ODIQTPZYFBOMOB-UHFFFAOYSA-N 0 0 190.582 1.082 10 0 ADAERN O=C1CCC[C@H]1C1OCCCO1 196905395 572650155 /nfs/dbraw/zinc/65/01/55/572650155.db2.gz VXEDJJCDOXATIO-SSDOTTSWSA-N 0 0 170.208 1.119 10 0 ADAERN COC(=O)[C@@]1(O)CC[C@@H](C)C[C@@H]1C 222384013 572650468 /nfs/dbraw/zinc/65/04/68/572650468.db2.gz ZUMJCEYPPOIJAV-KHQFGBGNSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@@H]1CC[N@H+](C)C[C@H]1C(=O)[O-] 251847219 572650223 /nfs/dbraw/zinc/65/02/23/572650223.db2.gz RJMPBYFSJMBRJU-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cnn(C)c1 70168959 572650251 /nfs/dbraw/zinc/65/02/51/572650251.db2.gz KAWASFDMOXQOTH-APPZFPTMSA-N 0 0 168.240 1.500 10 0 ADAERN CC[C@@H](O)CCCc1nnc(C)n1C 689748680 572650280 /nfs/dbraw/zinc/65/02/80/572650280.db2.gz YOXJFGYIGBAWHV-SECBINFHSA-N 0 0 197.282 1.217 10 0 ADAERN O=Cc1cncn1CCOCC1CC1 236409890 572650287 /nfs/dbraw/zinc/65/02/87/572650287.db2.gz CJTGVTYFMPZQAY-UHFFFAOYSA-N 0 0 194.234 1.122 10 0 ADAERN CC/C=C/C=C\C(=O)OC 83314647 572650348 /nfs/dbraw/zinc/65/03/48/572650348.db2.gz GCYDJSKTCBITBG-DEQVHDEQSA-N 0 0 140.182 1.682 10 0 ADAERN COC(=O)CC[C@H]1CC[C@@H](O)C1 205641600 572650360 /nfs/dbraw/zinc/65/03/60/572650360.db2.gz KGXCJJLLUHKOGU-HTQZYQBOSA-N 0 0 172.224 1.101 10 0 ADAERN O=Cc1cncn1CC[C@@H]1CCOC1 236409905 572650383 /nfs/dbraw/zinc/65/03/83/572650383.db2.gz FMMFIWBCTCRRBE-SECBINFHSA-N 0 0 194.234 1.122 10 0 ADAERN COCc1ccc(CO)c(F)c1 196903667 572650385 /nfs/dbraw/zinc/65/03/85/572650385.db2.gz XFEWRDKRBOOIFY-UHFFFAOYSA-N 0 0 170.183 1.464 10 0 ADAERN COCc1nc2cc(F)cnc2o1 74328491 572650573 /nfs/dbraw/zinc/65/05/73/572650573.db2.gz UGUHZUUTTKDQIQ-UHFFFAOYSA-N 0 0 182.154 1.508 10 0 ADAERN CCc1c(O)ccc2c1C(=O)CO2 714118946 572650626 /nfs/dbraw/zinc/65/06/26/572650626.db2.gz FCEGHTIJPKWMSI-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN C/C=C\CC[NH2+]C[C@@H](O)C(F)(F)F 308086331 572650632 /nfs/dbraw/zinc/65/06/32/572650632.db2.gz IJNPCVOYVTUGCK-SKRYNEFJSA-N 0 0 197.200 1.465 10 0 ADAERN CCOc1cc(O)c2c(c1)OCC2=O 714119049 572650656 /nfs/dbraw/zinc/65/06/56/572650656.db2.gz LBOHIQPIFMANFH-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN C[C@H]1SCCS[C@@]1(C)[NH3+] 196905323 572650732 /nfs/dbraw/zinc/65/07/32/572650732.db2.gz PKNBYJWRMIPFRM-PHDIDXHHSA-N 0 0 163.311 1.530 10 0 ADAERN O=C(C(F)F)N(CC1CC1)C1CC1 236126278 572650779 /nfs/dbraw/zinc/65/07/79/572650779.db2.gz LUAGSFBTGRSGBQ-UHFFFAOYSA-N 0 0 189.205 1.653 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cnn(C)c1 70168961 572650831 /nfs/dbraw/zinc/65/08/31/572650831.db2.gz KAWASFDMOXQOTH-VXNVDRBHSA-N 0 0 168.240 1.500 10 0 ADAERN O=C1COc2cc(Cl)cc(O)c21 714119010 572651041 /nfs/dbraw/zinc/65/10/41/572651041.db2.gz JWCMOVNOFAEECC-UHFFFAOYSA-N 0 0 184.578 1.621 10 0 ADAERN Cc1cccc(CN2CCC(=O)C2)c1 48266197 572651091 /nfs/dbraw/zinc/65/10/91/572651091.db2.gz UBKNPVPZJLGRCR-UHFFFAOYSA-N 0 0 189.258 1.770 10 0 ADAERN COCc1nc2c(C)ccnc2o1 74330035 572651106 /nfs/dbraw/zinc/65/11/06/572651106.db2.gz CPFGMFCDKVEUNX-UHFFFAOYSA-N 0 0 178.191 1.678 10 0 ADAERN Oc1ccccc1[C@@H]1COCCO1 116044108 572651195 /nfs/dbraw/zinc/65/11/95/572651195.db2.gz OELSLLMORUCRJX-JTQLQIEISA-N 0 0 180.203 1.480 10 0 ADAERN CC[C@@H](C)SCC[C@H](O)CO 307857310 572651342 /nfs/dbraw/zinc/65/13/42/572651342.db2.gz DYOILBBMAQJVCB-SFYZADRCSA-N 0 0 178.297 1.261 10 0 ADAERN O=C(OCc1ccoc1)C(F)F 308086269 572651520 /nfs/dbraw/zinc/65/15/20/572651520.db2.gz OJODOILRORMOAD-UHFFFAOYSA-N 0 0 176.118 1.588 10 0 ADAERN O=Cc1cc(F)ccc1OCCF 236124335 572651529 /nfs/dbraw/zinc/65/15/29/572651529.db2.gz CDHCXVRGGSRYHX-UHFFFAOYSA-N 0 0 186.157 1.987 10 0 ADAERN CSc1ccc(/C=C\C(N)=O)cc1 116020267 572651539 /nfs/dbraw/zinc/65/15/39/572651539.db2.gz UIVCETMHIBRFRN-DAXSKMNVSA-N 0 0 193.271 1.907 10 0 ADAERN CC(=O)OCc1ccc(Cl)cn1 196901279 572651550 /nfs/dbraw/zinc/65/15/50/572651550.db2.gz DMRKPCIFFRBLRF-UHFFFAOYSA-N 0 0 185.610 1.798 10 0 ADAERN C/C=C/[C@@](C)(O)[C@@H](C)C(=O)OC 85071967 572651595 /nfs/dbraw/zinc/65/15/95/572651595.db2.gz TXQPVUWODXBABX-LHFUQYOZSA-N 0 0 172.224 1.123 10 0 ADAERN CC(C)NC(=O)c1cccc(F)c1N 54205798 572651609 /nfs/dbraw/zinc/65/16/09/572651609.db2.gz ZKRPXPYALWPKQT-UHFFFAOYSA-N 0 0 196.225 1.546 10 0 ADAERN CC(C)=C[C@@](C)(O)CCO 196909238 572651629 /nfs/dbraw/zinc/65/16/29/572651629.db2.gz JZPAUVUKUBXMMU-QMMMGPOBSA-N 0 0 144.214 1.086 10 0 ADAERN Nc1cc(F)c2c(c1)CCC(=O)C2 714119012 572651789 /nfs/dbraw/zinc/65/17/89/572651789.db2.gz JYEXFQXZKJAJKE-UHFFFAOYSA-N 0 0 179.194 1.466 10 0 ADAERN CO[C@H]1CCCCCCC1=O 196905911 572651647 /nfs/dbraw/zinc/65/16/47/572651647.db2.gz KKNTYFOJPRPCQV-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN C/C=C\CCNC(=O)CCC 307855657 572651660 /nfs/dbraw/zinc/65/16/60/572651660.db2.gz DRLZVRVJFPBUNU-HYXAFXHYSA-N 0 0 155.241 1.869 10 0 ADAERN C/C=C(\C)[C@H](O)C(C)C 197992199 572651871 /nfs/dbraw/zinc/65/18/71/572651871.db2.gz DHHMVDDMFQPFDW-WVXIBAHESA-N 0 0 128.215 1.970 10 0 ADAERN CC[C@H](C)SCC[C@@H](O)CO 307857309 572651936 /nfs/dbraw/zinc/65/19/36/572651936.db2.gz DYOILBBMAQJVCB-JGVFFNPUSA-N 0 0 178.297 1.261 10 0 ADAERN CC[C@H](C)[C@H](O)c1cnn(C)c1 70168960 572651944 /nfs/dbraw/zinc/65/19/44/572651944.db2.gz KAWASFDMOXQOTH-CBAPKCEASA-N 0 0 168.240 1.500 10 0 ADAERN O=Cc1cncn1CC[C@H]1CCOC1 236409917 572651953 /nfs/dbraw/zinc/65/19/53/572651953.db2.gz FMMFIWBCTCRRBE-VIFPVBQESA-N 0 0 194.234 1.122 10 0 ADAERN Cc1ccn(N(C)C)c1N(C)C 196900697 572651961 /nfs/dbraw/zinc/65/19/61/572651961.db2.gz JKICNAQSUMGTBX-UHFFFAOYSA-N 0 0 167.256 1.060 10 0 ADAERN C[C@@](O)(C[NH2+]C1CC1)c1ccco1 85078304 572652806 /nfs/dbraw/zinc/65/28/06/572652806.db2.gz JECASWVYYIEMLV-SNVBAGLBSA-N 0 0 181.235 1.239 10 0 ADAERN C[C@@H]1CC[C@@H]2C[C@@]([NH3+])(C(=O)[O-])C[C@@H]2C1 251825661 572652181 /nfs/dbraw/zinc/65/21/81/572652181.db2.gz NBYKOYBJKDCEJF-REIXXSIJSA-N 0 0 197.278 1.615 10 0 ADAERN Cc1nc2cc(F)cnc2o1 74328294 572652412 /nfs/dbraw/zinc/65/24/12/572652412.db2.gz YHNSAODHLCTHNC-UHFFFAOYSA-N 0 0 152.128 1.670 10 0 ADAERN C[C@@H](O)CC[C@H](O)c1ccco1 238380848 572652450 /nfs/dbraw/zinc/65/24/50/572652450.db2.gz FPZRMMRHSWVWHJ-SFYZADRCSA-N 0 0 170.208 1.474 10 0 ADAERN COCc1ccc(CO)cc1F 196903647 572652500 /nfs/dbraw/zinc/65/25/00/572652500.db2.gz UYPTXWNUSDASAY-UHFFFAOYSA-N 0 0 170.183 1.464 10 0 ADAERN O=Cc1nccn1COCC1CC1 236410218 572652503 /nfs/dbraw/zinc/65/25/03/572652503.db2.gz BGYNDWNWXBZGQK-UHFFFAOYSA-N 0 0 180.207 1.080 10 0 ADAERN C[C@@H]1CC[C@@H]2C[C@]([NH3+])(C(=O)[O-])C[C@H]2C1 251825662 572652537 /nfs/dbraw/zinc/65/25/37/572652537.db2.gz NBYKOYBJKDCEJF-TURQNECASA-N 0 0 197.278 1.615 10 0 ADAERN COCc1nc2ccc(C)nc2o1 74329691 572652599 /nfs/dbraw/zinc/65/25/99/572652599.db2.gz XYQQQHDDDZHAAH-UHFFFAOYSA-N 0 0 178.191 1.678 10 0 ADAERN CCc1nc(C(OC)OC)cs1 85080545 572655751 /nfs/dbraw/zinc/65/57/51/572655751.db2.gz UVAGJNLCKWNJAA-UHFFFAOYSA-N 0 0 187.264 1.997 10 0 ADAERN C[C@H]1CC[N@@H+]([C@@](C)(C(=O)[O-])C2CC2)C1 251822341 572652615 /nfs/dbraw/zinc/65/26/15/572652615.db2.gz ZWZGLQOUBQHHRL-GZMMTYOYSA-N 0 0 197.278 1.582 10 0 ADAERN Oc1ccccc1[C@H]1COCCO1 116044111 572652742 /nfs/dbraw/zinc/65/27/42/572652742.db2.gz OELSLLMORUCRJX-SNVBAGLBSA-N 0 0 180.203 1.480 10 0 ADAERN CC[C@H](O)CCCc1nnc(C)n1C 689748682 572652750 /nfs/dbraw/zinc/65/27/50/572652750.db2.gz YOXJFGYIGBAWHV-VIFPVBQESA-N 0 0 197.282 1.217 10 0 ADAERN C[C@@H]1SCCS[C@@]1(C)[NH3+] 196905333 572652759 /nfs/dbraw/zinc/65/27/59/572652759.db2.gz PKNBYJWRMIPFRM-NTSWFWBYSA-N 0 0 163.311 1.530 10 0 ADAERN O=C1CCC[C@@H]1C1OCCCO1 196905384 572652768 /nfs/dbraw/zinc/65/27/68/572652768.db2.gz VXEDJJCDOXATIO-ZETCQYMHSA-N 0 0 170.208 1.119 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)CCC1CC1 235282384 572652791 /nfs/dbraw/zinc/65/27/91/572652791.db2.gz JYHCBGKFWKPSJR-WPRPVWTQSA-N 0 0 170.252 1.717 10 0 ADAERN COC(=O)CC[C@@H]1CC[C@@H](O)C1 205641589 572652841 /nfs/dbraw/zinc/65/28/41/572652841.db2.gz KGXCJJLLUHKOGU-JGVFFNPUSA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)Cc1c(C)[nH]c(C=O)c1C 238380833 572652850 /nfs/dbraw/zinc/65/28/50/572652850.db2.gz XVHSXONPHRSVJG-UHFFFAOYSA-N 0 0 195.218 1.160 10 0 ADAERN O=C1CCCc2cc(O)c(CO)cc21 714118989 572652870 /nfs/dbraw/zinc/65/28/70/572652870.db2.gz ICZIOXJVNOWPTB-UHFFFAOYSA-N 0 0 192.214 1.404 10 0 ADAERN CC(=O)O[C@H](C)C/C=C/[C@@H](C)O 238380089 572652885 /nfs/dbraw/zinc/65/28/85/572652885.db2.gz WHXFDPUYQKKMSB-IVZJMYDKSA-N 0 0 172.224 1.265 10 0 ADAERN COC(=O)CC[C@H]1CC[C@H](O)C1 205641575 572652927 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572655391 /nfs/dbraw/zinc/65/53/91/572655391.db2.gz JEHUJEZNAWNFHX-MRVPVSSYSA-N 0 0 193.312 1.347 10 0 ADAERN Cc1csc2c1CC[C@@H](O)C2 74332870 572655460 /nfs/dbraw/zinc/65/54/60/572655460.db2.gz CFDMYSRQMNSNAC-SSDOTTSWSA-N 0 0 168.261 1.906 10 0 ADAERN Cc1ccc(/C=C\CO)o1 96609561 572655495 /nfs/dbraw/zinc/65/54/95/572655495.db2.gz OXVNQKUCCBGUMU-IHWYPQMZSA-N 0 0 138.166 1.594 10 0 ADAERN O=Cc1scc2c1OCCC2 74333876 572655498 /nfs/dbraw/zinc/65/54/98/572655498.db2.gz ZZVCLLZUDXPRHQ-UHFFFAOYSA-N 0 0 168.217 1.886 10 0 ADAERN COC(OC)[C@](C)(O)c1ccoc1 85073242 572655540 /nfs/dbraw/zinc/65/55/40/572655540.db2.gz CFPOFCAERDJZAC-SECBINFHSA-N 0 0 186.207 1.106 10 0 ADAERN CCC[C@](C)(O)C(OC)OC 85073286 572655547 /nfs/dbraw/zinc/65/55/47/572655547.db2.gz GVGYSWGVQXQRRF-QMMMGPOBSA-N 0 0 162.229 1.156 10 0 ADAERN C[C@@H](O)CCc1ccc(C=O)o1 238381914 572655645 /nfs/dbraw/zinc/65/56/45/572655645.db2.gz XYCIHRXEBGZCLG-SSDOTTSWSA-N 0 0 168.192 1.406 10 0 ADAERN CCNC(=O)/C=C/c1cccnc1 70187224 572655663 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250550939 572662119 /nfs/dbraw/zinc/66/21/19/572662119.db2.gz AEHNAPWDHFPOIN-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN Nc1cnoc1-c1ccsn1 74336721 572662404 /nfs/dbraw/zinc/66/24/04/572662404.db2.gz WSTYWHXQNVWFQN-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN CCCCCNC(=O)[C@H]1CCC[C@H]1O 73139020 572662409 /nfs/dbraw/zinc/66/24/09/572662409.db2.gz KJOFGQMLKMJHJL-VHSXEESVSA-N 0 0 199.294 1.454 10 0 ADAERN O=Cc1scc2c1NCCC2 74335806 572662295 /nfs/dbraw/zinc/66/22/95/572662295.db2.gz SFXUXFXTYZJBFX-UHFFFAOYSA-N 0 0 167.233 1.919 10 0 ADAERN CC[C@@](C)(O)COc1cncc(F)c1 308087137 572662324 /nfs/dbraw/zinc/66/23/24/572662324.db2.gz KBUJTUFSWIVXRS-SNVBAGLBSA-N 0 0 199.225 1.761 10 0 ADAERN Cc1cc2c(s1)C[C@H](N)C2=O 74335832 572662364 /nfs/dbraw/zinc/66/23/64/572662364.db2.gz VTHATSSAJBVIPY-LURJTMIESA-N 0 0 167.233 1.123 10 0 ADAERN O=C(/C=C\C1CC1)NCC(F)F 308084614 572662587 /nfs/dbraw/zinc/66/25/87/572662587.db2.gz MPYQRMPDGIYXRW-ARJAWSKDSA-N 0 0 175.178 1.334 10 0 ADAERN CO[C@@]1(/C=C/CCO)CCCCO1 238383683 572662611 /nfs/dbraw/zinc/66/26/11/572662611.db2.gz FBSZTEBDDXQIPC-GCEAOBNSSA-N 0 0 186.251 1.468 10 0 ADAERN C[N@@H+]1C[C@H](C2CCCC2)C[C@H]1C(=O)[O-] 250550943 572662665 /nfs/dbraw/zinc/66/26/65/572662665.db2.gz AEHNAPWDHFPOIN-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)Oc1cc(C[C@H](C)O)ccn1 116119313 572662828 /nfs/dbraw/zinc/66/28/28/572662828.db2.gz MRAFTTPHLHELQO-VIFPVBQESA-N 0 0 195.262 1.792 10 0 ADAERN Nc1cnsc1-c1cnco1 74336715 572662865 /nfs/dbraw/zinc/66/28/65/572662865.db2.gz FLEIGPRZWRATNA-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN CC(C)CC[C@](C)(C[NH3+])CC(=O)[O-] 85114015 572662924 /nfs/dbraw/zinc/66/29/24/572662924.db2.gz UECJWINPSBAYIL-JTQLQIEISA-N 0 0 187.283 1.862 10 0 ADAERN FC(F)(F)COCn1cccn1 236134542 572662980 /nfs/dbraw/zinc/66/29/80/572662980.db2.gz AOOXLQNYIZYPBD-UHFFFAOYSA-N 0 0 180.129 1.420 10 0 ADAERN CNc1cc(-c2nccnc2C)[nH]n1 234520914 572663020 /nfs/dbraw/zinc/66/30/20/572663020.db2.gz AYRNQZDVLQNUPM-UHFFFAOYSA-N 0 0 189.222 1.217 10 0 ADAERN O=C(/C=C/C1CC1)NCC(F)F 308084617 572663040 /nfs/dbraw/zinc/66/30/40/572663040.db2.gz MPYQRMPDGIYXRW-ONEGZZNKSA-N 0 0 175.178 1.334 10 0 ADAERN C[C@@](C[NH3+])(CC(=O)[O-])c1ccsc1 85113827 572663063 /nfs/dbraw/zinc/66/30/63/572663063.db2.gz XRDAUKGBMXFWPS-VIFPVBQESA-N 0 0 199.275 1.439 10 0 ADAERN C/C=C\C(=O)OCC1CCC1 307860359 572663087 /nfs/dbraw/zinc/66/30/87/572663087.db2.gz GIWSJOGBWLRZLZ-RQOWECAXSA-N 0 0 154.209 1.906 10 0 ADAERN Cc1ccc([C@@](C)(C[NH3+])CC(=O)[O-])o1 85113587 572663156 /nfs/dbraw/zinc/66/31/56/572663156.db2.gz SNJZFELJLAPCGE-SNVBAGLBSA-N 0 0 197.234 1.279 10 0 ADAERN CC/C=C1\NC(=O)C(C)=C1C 307860654 572663166 /nfs/dbraw/zinc/66/31/66/572663166.db2.gz KDUYIAIEYTXTHZ-YVMONPNESA-N 0 0 151.209 1.747 10 0 ADAERN C[C@@](C[NH3+])(CC(=O)[O-])Cc1ccco1 85113716 572663234 /nfs/dbraw/zinc/66/32/34/572663234.db2.gz XQOUCIRAQAJMEO-JTQLQIEISA-N 0 0 197.234 1.262 10 0 ADAERN CC[C@@H](C)[C@@](C)(C[NH3+])CC(=O)[O-] 85113956 572663254 /nfs/dbraw/zinc/66/32/54/572663254.db2.gz 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/nfs/dbraw/zinc/66/35/38/572663538.db2.gz RVUPDXPIOOMBMO-SECBINFHSA-N 0 0 188.292 1.878 10 0 ADAERN NNC/C=C\c1ccccc1 116193894 572663587 /nfs/dbraw/zinc/66/35/87/572663587.db2.gz FPTSHOMLYWHHCL-DAXSKMNVSA-N 0 0 148.209 1.163 10 0 ADAERN CC(=O)N[C@@H]1CCC[C@H]1n1ccnc1 70226556 572663641 /nfs/dbraw/zinc/66/36/41/572663641.db2.gz JSBRENNOZUKRGU-NXEZZACHSA-N 0 0 193.250 1.113 10 0 ADAERN COC(=O)Cc1cc(C)ccc1C=O 238386734 572663644 /nfs/dbraw/zinc/66/36/44/572663644.db2.gz NQOWIWRBGLPBEG-UHFFFAOYSA-N 0 0 192.214 1.523 10 0 ADAERN COC1(CNc2nncs2)CCC1 234785200 572663650 /nfs/dbraw/zinc/66/36/50/572663650.db2.gz WSKPIKUHVNKUGO-UHFFFAOYSA-N 0 0 199.279 1.519 10 0 ADAERN CC[C@@](C[NH3+])(CC(=O)[O-])c1ccco1 85113649 572663658 /nfs/dbraw/zinc/66/36/58/572663658.db2.gz UBHONYHIYYLJOM-JTQLQIEISA-N 0 0 197.234 1.361 10 0 ADAERN C/C=C/C=C/CC[C@H](O)CC(=O)OC 117390855 572663629 /nfs/dbraw/zinc/66/36/29/572663629.db2.gz CBRLROMGPLCADD-POOPIXKXSA-N 0 0 198.262 1.823 10 0 ADAERN C=C/C=C/[C@H](NC(=O)OC)OC 238386305 572663722 /nfs/dbraw/zinc/66/37/22/572663722.db2.gz XDLKVCFCVVJAKY-WEWAHIQMSA-N 0 0 171.196 1.057 10 0 ADAERN CC(C)CC[C@@](C)(C[NH3+])CC(=O)[O-] 85114018 572664845 /nfs/dbraw/zinc/66/48/45/572664845.db2.gz UECJWINPSBAYIL-SNVBAGLBSA-N 0 0 187.283 1.862 10 0 ADAERN O=C(OCc1cnoc1)C1CC1 308088073 572663742 /nfs/dbraw/zinc/66/37/42/572663742.db2.gz QRQFJRIVDZBTNK-UHFFFAOYSA-N 0 0 167.164 1.128 10 0 ADAERN COC(C)(C)CC[C@H](NN)C(C)C 230975172 572663791 /nfs/dbraw/zinc/66/37/91/572663791.db2.gz SADRFZQGLCKXQB-VIFPVBQESA-N 0 0 188.315 1.680 10 0 ADAERN CCCCC(=O)N(C)OCC 307862707 572663799 /nfs/dbraw/zinc/66/37/99/572663799.db2.gz HYQQHWZRIWZRMS-UHFFFAOYSA-N 0 0 159.229 1.587 10 0 ADAERN Cc1[nH]nc2c1NC(C)(C)CN2 74337330 572664848 /nfs/dbraw/zinc/66/48/48/572664848.db2.gz CQYRWJCJNBOXDI-UHFFFAOYSA-N 0 0 166.228 1.334 10 0 ADAERN O=C1CCc2cc3c(cc2C1)CCO3 714121237 572663825 /nfs/dbraw/zinc/66/38/25/572663825.db2.gz VQLWEOFBMIPVFQ-UHFFFAOYSA-N 0 0 188.226 1.679 10 0 ADAERN CC[C@](C[NH3+])(CC(=O)[O-])C(C)C 85113907 572663839 /nfs/dbraw/zinc/66/38/39/572663839.db2.gz PTGODLVSGFIICB-SECBINFHSA-N 0 0 173.256 1.472 10 0 ADAERN CCOC(=O)NCC1CCC1 70226638 572663846 /nfs/dbraw/zinc/66/38/46/572663846.db2.gz DMBHEVZDISMFBZ-UHFFFAOYSA-N 0 0 157.213 1.533 10 0 ADAERN COc1ccc(CCNC(C)=O)s1 238386124 572666126 /nfs/dbraw/zinc/66/61/26/572666126.db2.gz SXFYHFZTONDOFW-UHFFFAOYSA-N 0 0 199.275 1.435 10 0 ADAERN CC[C@H](C)[C@@](C)(C[NH3+])CC(=O)[O-] 85113960 572663902 /nfs/dbraw/zinc/66/39/02/572663902.db2.gz XDAWBASVGMHZCP-IONNQARKSA-N 0 0 173.256 1.472 10 0 ADAERN CC(C)Cc1cnc(C=O)n1C 74337792 572663913 /nfs/dbraw/zinc/66/39/13/572663913.db2.gz YGOCKXSNTSPNOO-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN C[C@@](C[NH3+])(CC(=O)[O-])C1CCCC1 85113638 572663917 /nfs/dbraw/zinc/66/39/17/572663917.db2.gz HMZXSBCXBFFAIM-JTQLQIEISA-N 0 0 185.267 1.616 10 0 ADAERN CCOC(=O)N1C[C@H](C)OC[C@@H]1C 70226102 572663934 /nfs/dbraw/zinc/66/39/34/572663934.db2.gz RVJCFRFIPXKNKK-YUMQZZPRSA-N 0 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IJKHPLHKMYKSOO-UHFFFAOYSA-N 0 0 166.224 1.772 10 0 ADAERN CC[C@H](C)NC(=O)c1cnoc1C 70225409 572665350 /nfs/dbraw/zinc/66/53/50/572665350.db2.gz MHDNZVVHHCUEJA-LURJTMIESA-N 0 0 182.223 1.511 10 0 ADAERN Nc1ccsc1-c1cnoc1 74337946 572665392 /nfs/dbraw/zinc/66/53/92/572665392.db2.gz VEMMLJLYSMBBCT-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN CCOC(=O)N[C@H](C)C(C)C 70224207 572665404 /nfs/dbraw/zinc/66/54/04/572665404.db2.gz ZTDUTTVSMSOASZ-SSDOTTSWSA-N 0 0 159.229 1.777 10 0 ADAERN CC(=O)N[C@H]1CCC[C@H]1n1ccnc1 70226557 572665425 /nfs/dbraw/zinc/66/54/25/572665425.db2.gz JSBRENNOZUKRGU-VHSXEESVSA-N 0 0 193.250 1.113 10 0 ADAERN Cc1noc(NC[C@H]2CCO[C@H]2C)n1 235291527 572665431 /nfs/dbraw/zinc/66/54/31/572665431.db2.gz LPUNHRDAFBTPOJ-POYBYMJQSA-N 0 0 197.238 1.215 10 0 ADAERN COc1cccc(OC)c1NCCO 238384375 572665446 /nfs/dbraw/zinc/66/54/46/572665446.db2.gz IWNKXTLNRWBVFN-UHFFFAOYSA-N 0 0 197.234 1.108 10 0 ADAERN CC[C@H]1CNc2n[nH]c(C)c2N1 74337297 572665457 /nfs/dbraw/zinc/66/54/57/572665457.db2.gz BDNXZORRXDCVJJ-LURJTMIESA-N 0 0 166.228 1.334 10 0 ADAERN CC[C@@](CC(=O)[O-])(C(C)C)[C@H](C)[NH3+] 85115720 572665516 /nfs/dbraw/zinc/66/55/16/572665516.db2.gz MIECQNKPZNJQIT-WCBMZHEXSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@@H]([NH3+])[C@@](C)(CC(=O)[O-])C(C)C 85117191 572665522 /nfs/dbraw/zinc/66/55/22/572665522.db2.gz MIFOBMYQGCIHMK-SCZZXKLOSA-N 0 0 187.283 1.861 10 0 ADAERN COC(=O)c1cc(OC2CC2)ccn1 238386615 572665534 /nfs/dbraw/zinc/66/55/34/572665534.db2.gz DCATVCYZFCYVRK-UHFFFAOYSA-N 0 0 193.202 1.409 10 0 ADAERN O=c1[nH]ccn1-c1ccccc1F 87665565 572665488 /nfs/dbraw/zinc/66/54/88/572665488.db2.gz ZXYWNYLQHOYGIJ-UHFFFAOYSA-N 0 0 178.166 1.305 10 0 ADAERN CCC(CC)[C@H](CC(=O)[O-])[C@@H](C)[NH3+] 85115620 572665505 /nfs/dbraw/zinc/66/55/05/572665505.db2.gz BNHCMSFQKVRBJP-VXNVDRBHSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@@H]([NH3+])[C@@H](CC(=O)[O-])CC(C)(C)C 85116163 572665546 /nfs/dbraw/zinc/66/55/46/572665546.db2.gz WWMWNWTVYKIHGV-SFYZADRCSA-N 0 0 187.283 1.861 10 0 ADAERN COC(=O)/C=C/c1cc(CO)cs1 116164032 572665568 /nfs/dbraw/zinc/66/55/68/572665568.db2.gz QGDNTAYIAFCEBU-NSCUHMNNSA-N 0 0 198.243 1.427 10 0 ADAERN COC(=O)c1cc(OC2CC2)cn1C 238386629 572665581 /nfs/dbraw/zinc/66/55/81/572665581.db2.gz HQOKIAYMMXTIAK-UHFFFAOYSA-N 0 0 195.218 1.353 10 0 ADAERN CCC[C@@H](C[NH2+]C)CC(=O)[O-] 307862663 572665615 /nfs/dbraw/zinc/66/56/15/572665615.db2.gz HUABFBKIYMPHLU-SSDOTTSWSA-N 0 0 159.229 1.097 10 0 ADAERN CCOC(=O)N1CCCSCC1 70227390 572665712 /nfs/dbraw/zinc/66/57/12/572665712.db2.gz GPPUXCUVVSKKLS-UHFFFAOYSA-N 0 0 189.280 1.582 10 0 ADAERN CC[C@H]1CNc2n[nH]cc2N1C 74337292 572665742 /nfs/dbraw/zinc/66/57/42/572665742.db2.gz FBTRDZMYUAYTAA-LURJTMIESA-N 0 0 166.228 1.050 10 0 ADAERN CCC(CC)N(C)C(C)=O 70225746 572665753 /nfs/dbraw/zinc/66/57/53/572665753.db2.gz DZGKBZAQJNEWFO-UHFFFAOYSA-N 0 0 143.230 1.653 10 0 ADAERN COC(OC)c1ccncc1C=O 117389642 572665801 /nfs/dbraw/zinc/66/58/01/572665801.db2.gz UXRLLXIRZINAGK-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COCCC(=O)[C@@H]1CCCCS1 87680696 572665824 /nfs/dbraw/zinc/66/58/24/572665824.db2.gz RVUPDXPIOOMBMO-VIFPVBQESA-N 0 0 188.292 1.878 10 0 ADAERN C[C@H]([NH3+])[C@H](CC(=O)[O-])CC(C)(C)C 85116165 572665837 /nfs/dbraw/zinc/66/58/37/572665837.db2.gz WWMWNWTVYKIHGV-JGVFFNPUSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])c1ccoc1 85117155 572665843 /nfs/dbraw/zinc/66/58/43/572665843.db2.gz PTFYKJALLDFKOM-RKDXNWHRSA-N 0 0 197.234 1.575 10 0 ADAERN CC[C@H]([NH3+])[C@](C)(CC(=O)[O-])C(C)C 85117193 572665857 /nfs/dbraw/zinc/66/58/57/572665857.db2.gz MIFOBMYQGCIHMK-WCBMZHEXSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])c1ccco1 85117543 572666055 /nfs/dbraw/zinc/66/60/55/572666055.db2.gz OGZZUQDVQLRFSP-SFYZADRCSA-N 0 0 197.234 1.575 10 0 ADAERN CC(=O)N(C)[C@H](C)CC(C)C 70226061 572665889 /nfs/dbraw/zinc/66/58/89/572665889.db2.gz QKJHMGIGVXIIQR-MRVPVSSYSA-N 0 0 157.257 1.899 10 0 ADAERN C[C@@H]([NH3+])[C@H](CC(=O)[O-])c1cccs1 85116241 572665897 /nfs/dbraw/zinc/66/58/97/572665897.db2.gz RBOWUSODGCCBLR-RQJHMYQMSA-N 0 0 199.275 1.654 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])CC(C)C 85117458 572665902 /nfs/dbraw/zinc/66/59/02/572665902.db2.gz LNKJZGQKMFRCAF-DTWKUNHWSA-N 0 0 187.283 1.861 10 0 ADAERN Cc1oncc1C(=O)NCC(C)C 70225390 572665905 /nfs/dbraw/zinc/66/59/05/572665905.db2.gz MHRYFUUIZPSNPS-UHFFFAOYSA-N 0 0 182.223 1.369 10 0 ADAERN COC(=O)/C=C\c1cc(C=O)cs1 116164312 572665908 /nfs/dbraw/zinc/66/59/08/572665908.db2.gz WQUPFOHQSFCVKG-IHWYPQMZSA-N 0 0 196.227 1.747 10 0 ADAERN Nc1c[nH]nc1-c1cscn1 74337905 572665911 /nfs/dbraw/zinc/66/59/11/572665911.db2.gz LFBQFCDVBNFERU-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN C[C@H]([NH3+])[C@@H](CC(=O)[O-])c1cccs1 85116235 572665915 /nfs/dbraw/zinc/66/59/15/572665915.db2.gz RBOWUSODGCCBLR-NKWVEPMBSA-N 0 0 199.275 1.654 10 0 ADAERN CC[C@@H]1CNc2n[nH]c(C)c2N1 74337294 572665921 /nfs/dbraw/zinc/66/59/21/572665921.db2.gz BDNXZORRXDCVJJ-ZCFIWIBFSA-N 0 0 166.228 1.334 10 0 ADAERN CCSC[C@H](C)N(C)C(=O)NC 308088055 572665939 /nfs/dbraw/zinc/66/59/39/572665939.db2.gz QPOXXPXJJATASF-ZETCQYMHSA-N 0 0 190.312 1.399 10 0 ADAERN COc1cccc([C@@H](C)CO)c1OC 238387064 572665956 /nfs/dbraw/zinc/66/59/56/572665956.db2.gz ZHBDLABRPJPLKG-QMMMGPOBSA-N 0 0 196.246 1.800 10 0 ADAERN CC(C)Cc1cc[nH]c(=O)c1N 74337764 572665977 /nfs/dbraw/zinc/66/59/77/572665977.db2.gz DLTCQGUTQQRLFN-UHFFFAOYSA-N 0 0 166.224 1.156 10 0 ADAERN CCC[C@@H](CC(=O)[O-])C(C)(C)[NH3+] 85118129 572665990 /nfs/dbraw/zinc/66/59/90/572665990.db2.gz AFWGZHANKITDOG-ZETCQYMHSA-N 0 0 173.256 1.615 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])C(C)(C)[NH3+] 85118211 572666018 /nfs/dbraw/zinc/66/60/18/572666018.db2.gz FRVLXCZKUXIISK-ZETCQYMHSA-N 0 0 173.256 1.471 10 0 ADAERN FC(F)(F)CONC/C=C/Cl 236139465 572666025 /nfs/dbraw/zinc/66/60/25/572666025.db2.gz RMLNUOVQYQDOSV-OWOJBTEDSA-N 0 0 189.564 1.822 10 0 ADAERN Nc1cc[nH]c1CC(F)(F)F 74340729 572668924 /nfs/dbraw/zinc/66/89/24/572668924.db2.gz YTPGYXHCRDTKJV-UHFFFAOYSA-N 0 0 164.130 1.702 10 0 ADAERN CCC(CC)N(C)S(C)(=O)=O 70226311 572666038 /nfs/dbraw/zinc/66/60/38/572666038.db2.gz ROPPUNBRCSVJEP-UHFFFAOYSA-N 0 0 179.285 1.066 10 0 ADAERN CO[C@H](c1ccccc1)[C@H](C)NC=O 238391234 572666053 /nfs/dbraw/zinc/66/60/53/572666053.db2.gz JYKSVGMUVRUDBH-ONGXEEELSA-N 0 0 193.246 1.509 10 0 ADAERN CC(=O)OC[C@H](C)c1ccc(N)cc1 238384118 572666074 /nfs/dbraw/zinc/66/60/74/572666074.db2.gz NTGNVMHLKNZPPJ-QMMMGPOBSA-N 0 0 193.246 1.935 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])c1ccoc1 85117151 572666092 /nfs/dbraw/zinc/66/60/92/572666092.db2.gz PTFYKJALLDFKOM-DTWKUNHWSA-N 0 0 197.234 1.575 10 0 ADAERN CC(C)([NH3+])[C@H](CC(=O)[O-])c1ccco1 85118252 572666128 /nfs/dbraw/zinc/66/61/28/572666128.db2.gz NLSARFBOBWLPTA-SSDOTTSWSA-N 0 0 197.234 1.575 10 0 ADAERN CCOC(=O)N[C@H](C)C1CC1 70224632 572666110 /nfs/dbraw/zinc/66/61/10/572666110.db2.gz OPLUTNAYXZSJSL-ZCFIWIBFSA-N 0 0 157.213 1.531 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])C(F)(F)F 85117512 572666133 /nfs/dbraw/zinc/66/61/33/572666133.db2.gz UGMZBRBOBFFZHY-CRCLSJGQSA-N 0 0 199.172 1.377 10 0 ADAERN CC(=O)N(C)[C@@H](C)CC(C)C 70226062 572666166 /nfs/dbraw/zinc/66/61/66/572666166.db2.gz QKJHMGIGVXIIQR-QMMMGPOBSA-N 0 0 157.257 1.899 10 0 ADAERN CCOC(=O)N[C@@H]1CCC[C@H](O)C1 70227404 572666173 /nfs/dbraw/zinc/66/61/73/572666173.db2.gz FPFYDXPEBATXGL-SFYZADRCSA-N 0 0 187.239 1.036 10 0 ADAERN Nc1c[nH]c(C2CCOCC2)c1 74337846 572666179 /nfs/dbraw/zinc/66/61/79/572666179.db2.gz SQZVILRDWRNWMG-UHFFFAOYSA-N 0 0 166.224 1.491 10 0 ADAERN CC(=O)OC[C@H](C)c1ccccc1N 238384149 572666184 /nfs/dbraw/zinc/66/61/84/572666184.db2.gz CJEDCGBDNPQNJX-QMMMGPOBSA-N 0 0 193.246 1.935 10 0 ADAERN C[C@@H]([NH3+])[C@](C)(CC(=O)[O-])C1CC1 85115924 572666195 /nfs/dbraw/zinc/66/61/95/572666195.db2.gz TWAOYXXLRXGHGG-MUWHJKNJSA-N 0 0 171.240 1.225 10 0 ADAERN O=C1CCc2c(O)c(F)cc(F)c2C1 714121207 572666199 /nfs/dbraw/zinc/66/61/99/572666199.db2.gz KUWNMAZVPLNMHC-UHFFFAOYSA-N 0 0 198.168 1.728 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[C@@H]([NH3+])CC 85117146 572666204 /nfs/dbraw/zinc/66/62/04/572666204.db2.gz ACQCABXVRHFUAU-YUMQZZPRSA-N 0 0 173.256 1.615 10 0 ADAERN CCOC(=O)N[C@@H]1CCC[C@@H](O)C1 70227406 572666210 /nfs/dbraw/zinc/66/62/10/572666210.db2.gz FPFYDXPEBATXGL-HTQZYQBOSA-N 0 0 187.239 1.036 10 0 ADAERN CC(C)C[C@@](C)(CC(=O)[O-])[C@@H](C)[NH3+] 85115704 572666214 /nfs/dbraw/zinc/66/62/14/572666214.db2.gz PXSMXANNAPOVSK-SCZZXKLOSA-N 0 0 187.283 1.861 10 0 ADAERN CCOC(=O)NCC(F)(F)F 70223538 572666223 /nfs/dbraw/zinc/66/62/23/572666223.db2.gz BGRJZZKXQDPZCK-UHFFFAOYSA-N 0 0 171.118 1.295 10 0 ADAERN CC(C)([NH3+])[C@H](CC(=O)[O-])C(F)(F)F 85118240 572666226 /nfs/dbraw/zinc/66/62/26/572666226.db2.gz QTGOGISCZVRARV-BYPYZUCNSA-N 0 0 199.172 1.377 10 0 ADAERN CCOC(=O)N1C[C@@H](C)OC[C@H]1C 70226105 572666251 /nfs/dbraw/zinc/66/62/51/572666251.db2.gz RVJCFRFIPXKNKK-HTQZYQBOSA-N 0 0 187.239 1.252 10 0 ADAERN CC[C@@H]([NH3+])[C@](C)(CC)CC(=O)[O-] 85117825 572666262 /nfs/dbraw/zinc/66/62/62/572666262.db2.gz AMUMXSRRWBLJIX-VXNVDRBHSA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@@](CC(=O)[O-])(C1CC1)[C@@H](C)[NH3+] 85116229 572666269 /nfs/dbraw/zinc/66/62/69/572666269.db2.gz DRDDHPXRHMJLCE-XCBNKYQSSA-N 0 0 185.267 1.615 10 0 ADAERN CC[C@H]([NH3+])[C@H](CC)CC(=O)[O-] 85117734 572666297 /nfs/dbraw/zinc/66/62/97/572666297.db2.gz XRRWOUZULMZKEM-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@H]([NH3+])[C@@](C)(CC)CC(=O)[O-] 85117817 572666306 /nfs/dbraw/zinc/66/63/06/572666306.db2.gz AMUMXSRRWBLJIX-CBAPKCEASA-N 0 0 173.256 1.615 10 0 ADAERN CC(C)C[C@](C)(CC(=O)[O-])[C@H](C)[NH3+] 85115711 572666310 /nfs/dbraw/zinc/66/63/10/572666310.db2.gz PXSMXANNAPOVSK-WCBMZHEXSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@@H]([NH3+])[C@@](C)(CC(=O)[O-])C1CC1 85117378 572666315 /nfs/dbraw/zinc/66/63/15/572666315.db2.gz PWMQCJQJHMZHJN-SCZZXKLOSA-N 0 0 185.267 1.615 10 0 ADAERN COCC(=O)Cc1ccc(C)s1 238398393 572672273 /nfs/dbraw/zinc/67/22/73/572672273.db2.gz XBQRSFTZPLTFRB-UHFFFAOYSA-N 0 0 184.260 1.815 10 0 ADAERN C[C@@H](CCO)CNc1ccc(N)nc1 85125662 572666320 /nfs/dbraw/zinc/66/63/20/572666320.db2.gz DWBAODQXTHNSOX-QMMMGPOBSA-N 0 0 195.266 1.094 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])CC(C)C 85117460 572666331 /nfs/dbraw/zinc/66/63/31/572666331.db2.gz LNKJZGQKMFRCAF-BDAKNGLRSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@@H]([NH3+])[C@H](CC(=O)[O-])c1ccoc1 85115532 572666407 /nfs/dbraw/zinc/66/64/07/572666407.db2.gz UBCYMXUOCZKYGB-SVRRBLITSA-N 0 0 183.207 1.185 10 0 ADAERN CCC(CC)(CC(=O)[O-])[C@H](C)[NH3+] 85115887 572666414 /nfs/dbraw/zinc/66/64/14/572666414.db2.gz ILPJYLWEYABWMV-ZETCQYMHSA-N 0 0 173.256 1.615 10 0 ADAERN Nc1scnc1-c1c[nH]cn1 74337903 572666432 /nfs/dbraw/zinc/66/64/32/572666432.db2.gz PPJPCRIQZOIOEM-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])c1ccoc1 85117150 572666440 /nfs/dbraw/zinc/66/64/40/572666440.db2.gz PTFYKJALLDFKOM-IUCAKERBSA-N 0 0 197.234 1.575 10 0 ADAERN C[C@H](CCO)CNc1ccc(N)cn1 85125668 572666446 /nfs/dbraw/zinc/66/64/46/572666446.db2.gz CXUIRNRMSYAHFM-MRVPVSSYSA-N 0 0 195.266 1.094 10 0 ADAERN Cc1ccc([C@@H](CC(=O)[O-])[C@H](C)[NH3+])o1 85115403 572666454 /nfs/dbraw/zinc/66/64/54/572666454.db2.gz AUTDPNVLVXWMDN-YUMQZZPRSA-N 0 0 197.234 1.494 10 0 ADAERN C[C@H]([NH3+])[C@H](CC(=O)[O-])c1cccs1 85116239 572666457 /nfs/dbraw/zinc/66/64/57/572666457.db2.gz RBOWUSODGCCBLR-BQBZGAKWSA-N 0 0 199.275 1.654 10 0 ADAERN Cc1cnc(C=O)n1CC(C)C 74337789 572666462 /nfs/dbraw/zinc/66/64/62/572666462.db2.gz FDSZNKAFJMCVFX-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN Cn1ncc2c1NCC(C)(C)N2 74337309 572666465 /nfs/dbraw/zinc/66/64/65/572666465.db2.gz LANDCUVJDXWCGL-UHFFFAOYSA-N 0 0 166.228 1.036 10 0 ADAERN Cc1[nH]nc2scc(N)c12 74343102 572672280 /nfs/dbraw/zinc/67/22/80/572672280.db2.gz UBOLZYITCURXJO-UHFFFAOYSA-N 0 0 153.210 1.515 10 0 ADAERN CC(C)([NH3+])[C@@H](CC(=O)[O-])C1CC1 85118241 572666476 /nfs/dbraw/zinc/66/64/76/572666476.db2.gz UIIHFMHQJGFNKZ-ZETCQYMHSA-N 0 0 171.240 1.225 10 0 ADAERN CC[C@@](CC(=O)[O-])(C(C)C)[C@@H](C)[NH3+] 85115714 572666479 /nfs/dbraw/zinc/66/64/79/572666479.db2.gz MIECQNKPZNJQIT-PSASIEDQSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)[C@](C)(CC(=O)[O-])C(C)(C)[NH3+] 85118143 572666484 /nfs/dbraw/zinc/66/64/84/572666484.db2.gz VZLFKLMOHNHQCK-JTQLQIEISA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)[C@@](C)(CC(=O)[O-])[C@H](C)[NH3+] 85115609 572666490 /nfs/dbraw/zinc/66/64/90/572666490.db2.gz QAGMSFURDOLOKV-IONNQARKSA-N 0 0 173.256 1.471 10 0 ADAERN CC[C@@H]1CNc2n[nH]cc2N1C 74337288 572666502 /nfs/dbraw/zinc/66/65/02/572666502.db2.gz FBTRDZMYUAYTAA-ZCFIWIBFSA-N 0 0 166.228 1.050 10 0 ADAERN C[C@@H](CCCO)CCCCO 116166272 572666503 /nfs/dbraw/zinc/66/65/03/572666503.db2.gz DMIUMZKUIYPNLB-SECBINFHSA-N 0 0 160.257 1.558 10 0 ADAERN CC[C@@H](C)[C@H](CC(=O)[O-])C(C)(C)[NH3+] 85118247 572666514 /nfs/dbraw/zinc/66/65/14/572666514.db2.gz LVKOHCPIAKFLBI-SFYZADRCSA-N 0 0 187.283 1.861 10 0 ADAERN CO[C@@H](OCCCO)c1ccccc1 238388562 572666533 /nfs/dbraw/zinc/66/65/33/572666533.db2.gz LDUUIVPZWVPHPK-NSHDSACASA-N 0 0 196.246 1.731 10 0 ADAERN CC[C@H]([NH3+])C1(CC(=O)[O-])CCCC1 85117606 572666549 /nfs/dbraw/zinc/66/65/49/572666549.db2.gz XQHYQOHDPBKALK-QMMMGPOBSA-N 0 0 185.267 1.759 10 0 ADAERN CC[C@](C)(CC(=O)[O-])C(C)(C)[NH3+] 85118337 572666564 /nfs/dbraw/zinc/66/65/64/572666564.db2.gz SESNBYCSBHGRFH-SECBINFHSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H]([NH3+])[C@@H](CC(=O)[O-])C1CCCC1 85115673 572666579 /nfs/dbraw/zinc/66/65/79/572666579.db2.gz HJIYBSQDTWRRJY-VXNVDRBHSA-N 0 0 185.267 1.615 10 0 ADAERN CCC[C@H](CC(=O)[O-])[C@@H]([NH3+])CC 85117148 572666587 /nfs/dbraw/zinc/66/65/87/572666587.db2.gz ACQCABXVRHFUAU-SFYZADRCSA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@@](CC(=O)[O-])(C1CC1)[C@H](C)[NH3+] 85116232 572666599 /nfs/dbraw/zinc/66/65/99/572666599.db2.gz DRDDHPXRHMJLCE-XVKPBYJWSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1ccccc1OCc1ncon1 70233917 572666614 /nfs/dbraw/zinc/66/66/14/572666614.db2.gz JVFHBOXBPYGJQH-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN C[C@@H]([NH3+])[C@](C)(CC(=O)[O-])c1ccco1 85116092 572666626 /nfs/dbraw/zinc/66/66/26/572666626.db2.gz JKYJETNTZZRDCY-XCBNKYQSSA-N 0 0 197.234 1.359 10 0 ADAERN CC[C@H]([NH3+])[C@H](CC(=O)[O-])c1ccoc1 85117153 572666636 /nfs/dbraw/zinc/66/66/36/572666636.db2.gz PTFYKJALLDFKOM-BDAKNGLRSA-N 0 0 197.234 1.575 10 0 ADAERN CCC[C@H](CC(=O)[O-])C(C)(C)[NH3+] 85118130 572666641 /nfs/dbraw/zinc/66/66/41/572666641.db2.gz AFWGZHANKITDOG-SSDOTTSWSA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])CC(C)C 85117462 572666652 /nfs/dbraw/zinc/66/66/52/572666652.db2.gz LNKJZGQKMFRCAF-RKDXNWHRSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@H]([NH3+])[C@@H](CC(=O)[O-])c1ccoc1 85115521 572666654 /nfs/dbraw/zinc/66/66/54/572666654.db2.gz UBCYMXUOCZKYGB-POYBYMJQSA-N 0 0 183.207 1.185 10 0 ADAERN CC[C@H](C)[C@@H](CC(=O)[O-])[C@H]([NH3+])CC 85117531 572666672 /nfs/dbraw/zinc/66/66/72/572666672.db2.gz NDQSENCCLGCZBX-DJLDLDEBSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)[C@@H](CC(=O)[O-])C(C)(C)[NH3+] 85118210 572666683 /nfs/dbraw/zinc/66/66/83/572666683.db2.gz FRVLXCZKUXIISK-SSDOTTSWSA-N 0 0 173.256 1.471 10 0 ADAERN C[C@@H](CC(=O)C(N)=O)c1ccccc1 238389093 572666686 /nfs/dbraw/zinc/66/66/86/572666686.db2.gz STEMRNHDTKUYCX-QMMMGPOBSA-N 0 0 191.230 1.235 10 0 ADAERN CC[C@H]([NH3+])[C@](C)(CC(=O)[O-])C1CC1 85117380 572666699 /nfs/dbraw/zinc/66/66/99/572666699.db2.gz PWMQCJQJHMZHJN-WCBMZHEXSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H]([NH3+])[C@@](C)(CC(=O)[O-])c1ccco1 85116082 572666705 /nfs/dbraw/zinc/66/67/05/572666705.db2.gz JKYJETNTZZRDCY-OIBJUYFYSA-N 0 0 197.234 1.359 10 0 ADAERN C[C@H]([NH3+])[C@H](CC(=O)[O-])c1ccoc1 85115529 572666722 /nfs/dbraw/zinc/66/67/22/572666722.db2.gz UBCYMXUOCZKYGB-XPUUQOCRSA-N 0 0 183.207 1.185 10 0 ADAERN Fc1ccc(OCc2ncon2)cc1 70233918 572666727 /nfs/dbraw/zinc/66/67/27/572666727.db2.gz KRRXDOJRGBRRBX-UHFFFAOYSA-N 0 0 194.165 1.788 10 0 ADAERN CC[C@H]([NH3+])[C@](C)(CC)CC(=O)[O-] 85117822 572666729 /nfs/dbraw/zinc/66/67/29/572666729.db2.gz AMUMXSRRWBLJIX-IONNQARKSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@H](CCO)CNc1ccc(N)nc1 85125664 572666746 /nfs/dbraw/zinc/66/67/46/572666746.db2.gz DWBAODQXTHNSOX-MRVPVSSYSA-N 0 0 195.266 1.094 10 0 ADAERN Cc1n[nH]cc1NCC(C)C 74343019 572672303 /nfs/dbraw/zinc/67/23/03/572672303.db2.gz HLMBROFUBGCIIK-UHFFFAOYSA-N 0 0 153.229 1.786 10 0 ADAERN CCC[C@@](C)(CC(=O)[O-])[C@@H](C)[NH3+] 85116139 572666785 /nfs/dbraw/zinc/66/67/85/572666785.db2.gz HIOJVZQHJKMUAP-APPZFPTMSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H]([NH3+])[C@@](C)(CC(=O)[O-])C1CC1 85115918 572666815 /nfs/dbraw/zinc/66/68/15/572666815.db2.gz TWAOYXXLRXGHGG-HZGVNTEJSA-N 0 0 171.240 1.225 10 0 ADAERN CC(C)(C)S(=O)(=O)N1CCCC1 70233390 572666827 /nfs/dbraw/zinc/66/68/27/572666827.db2.gz YZXGXSRSCACFQN-UHFFFAOYSA-N 0 0 191.296 1.211 10 0 ADAERN CCC(CC)[C@@H](CC(=O)[O-])[C@@H](C)[NH3+] 85115615 572666831 /nfs/dbraw/zinc/66/68/31/572666831.db2.gz BNHCMSFQKVRBJP-APPZFPTMSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)([NH3+])[C@H](CC(=O)[O-])c1ccoc1 85118132 572666840 /nfs/dbraw/zinc/66/68/40/572666840.db2.gz BSSDRERGKSHWEO-MRVPVSSYSA-N 0 0 197.234 1.575 10 0 ADAERN CC[C@H](C)[C@H](CC(=O)[O-])[C@@H](C)[NH3+] 85116152 572666845 /nfs/dbraw/zinc/66/68/45/572666845.db2.gz LJLWORWVXCKTHP-RNJXMRFFSA-N 0 0 173.256 1.471 10 0 ADAERN CC(C)([NH3+])[C@@H](CC(=O)[O-])c1ccoc1 85118131 572666859 /nfs/dbraw/zinc/66/68/59/572666859.db2.gz BSSDRERGKSHWEO-QMMMGPOBSA-N 0 0 197.234 1.575 10 0 ADAERN C[C@H]([NH3+])[C@](C)(CC(=O)[O-])c1ccco1 85116090 572666874 /nfs/dbraw/zinc/66/68/74/572666874.db2.gz JKYJETNTZZRDCY-XVKPBYJWSA-N 0 0 197.234 1.359 10 0 ADAERN CC[C@@H](N)c1nc2occc2o1 74338270 572666924 /nfs/dbraw/zinc/66/69/24/572666924.db2.gz IGARCCHFOQODMD-RXMQYKEDSA-N 0 0 166.180 1.831 10 0 ADAERN CC[C@@H](CC(=O)[O-])[C@H]([NH3+])CC 85117728 572666935 /nfs/dbraw/zinc/66/69/35/572666935.db2.gz XRRWOUZULMZKEM-NKWVEPMBSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])c1ccco1 85117548 572666939 /nfs/dbraw/zinc/66/69/39/572666939.db2.gz OGZZUQDVQLRFSP-JGVFFNPUSA-N 0 0 197.234 1.575 10 0 ADAERN COC(=O)Cc1cc(OC)ccc1F 238389599 572666947 /nfs/dbraw/zinc/66/69/47/572666947.db2.gz RYGONBHBOYMSIS-UHFFFAOYSA-N 0 0 198.193 1.550 10 0 ADAERN CC[C@H]([NH3+])[C@H](CC(=O)[O-])C(F)(F)F 85117510 572666956 /nfs/dbraw/zinc/66/69/56/572666956.db2.gz UGMZBRBOBFFZHY-WHFBIAKZSA-N 0 0 199.172 1.377 10 0 ADAERN C[C@H]1CCC[N@@H+](C(C)(C)C(=O)[O-])[C@H]1C 252134407 572666971 /nfs/dbraw/zinc/66/69/71/572666971.db2.gz LHIOOCZXWGCBAU-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1CCCN1c1nnc([C@@H](C)N)o1 235194154 572671220 /nfs/dbraw/zinc/67/12/20/572671220.db2.gz HFFRPVQFNXLNLM-NKWVEPMBSA-N 0 0 196.254 1.078 10 0 ADAERN CC[C@H](C)[C@@H](CC(=O)[O-])C(C)(C)[NH3+] 85118246 572666998 /nfs/dbraw/zinc/66/69/98/572666998.db2.gz LVKOHCPIAKFLBI-JGVFFNPUSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)/C(=C/C(=O)[O-])[NH+]1CCCC1 308088762 572667001 /nfs/dbraw/zinc/66/70/01/572667001.db2.gz HYACGBMVUUIGHT-CLFYSBASSA-N 0 0 183.251 1.707 10 0 ADAERN CC(C)([NH3+])[C@](C)(CC(=O)[O-])C1CC1 85118207 572667003 /nfs/dbraw/zinc/66/70/03/572667003.db2.gz VJOZCRPJPDILFG-SNVBAGLBSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1COCc2c1coc2C=O 74338378 572667036 /nfs/dbraw/zinc/66/70/36/572667036.db2.gz UZLSOPCNRIFKHC-ZCFIWIBFSA-N 0 0 166.176 1.726 10 0 ADAERN CCc1nc2oc(N)c(C)c2o1 74338258 572667050 /nfs/dbraw/zinc/66/70/50/572667050.db2.gz CGFMNKCNBCCGNQ-UHFFFAOYSA-N 0 0 166.180 1.874 10 0 ADAERN C[C@H]1CCCN(c2c[nH]nc2N)[C@H]1C 252175053 572667053 /nfs/dbraw/zinc/66/70/53/572667053.db2.gz OUCPABHJYBTEBR-YUMQZZPRSA-N 0 0 194.282 1.617 10 0 ADAERN C[C@@H]([NH3+])[C@@H](CC(=O)[O-])c1ccoc1 85115526 572667063 /nfs/dbraw/zinc/66/70/63/572667063.db2.gz UBCYMXUOCZKYGB-HTRCEHHLSA-N 0 0 183.207 1.185 10 0 ADAERN C[C@H]1COCc2c1coc2C=O 74338381 572667088 /nfs/dbraw/zinc/66/70/88/572667088.db2.gz UZLSOPCNRIFKHC-LURJTMIESA-N 0 0 166.176 1.726 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC)CC(=O)[O-] 85117729 572667103 /nfs/dbraw/zinc/66/71/03/572667103.db2.gz XRRWOUZULMZKEM-RNFRBKRXSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@H](C)[C@H](CC(=O)[O-])[C@H]([NH3+])CC 85117534 572667108 /nfs/dbraw/zinc/66/71/08/572667108.db2.gz NDQSENCCLGCZBX-XHNCKOQMSA-N 0 0 187.283 1.861 10 0 ADAERN COc1ccc(OCCO)cc1C 238390277 572667111 /nfs/dbraw/zinc/66/71/11/572667111.db2.gz CVDBSRVCUNEAAG-UHFFFAOYSA-N 0 0 182.219 1.375 10 0 ADAERN CC(C)([NH3+])[C@@H](CC(=O)[O-])C(F)(F)F 85118239 572667133 /nfs/dbraw/zinc/66/71/33/572667133.db2.gz QTGOGISCZVRARV-SCSAIBSYSA-N 0 0 199.172 1.377 10 0 ADAERN CC(C)C[C@@H](CC(=O)[O-])C(C)(C)[NH3+] 85118225 572667139 /nfs/dbraw/zinc/66/71/39/572667139.db2.gz SZDPHBGFXVHRRR-QMMMGPOBSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@H](CCO)CNc1ncccc1N 85125780 572667145 /nfs/dbraw/zinc/66/71/45/572667145.db2.gz OUEMMQIXNTYTTK-MRVPVSSYSA-N 0 0 195.266 1.094 10 0 ADAERN C[C@H]([NH3+])[C@@H](CC(=O)[O-])C1CCCC1 85115670 572667152 /nfs/dbraw/zinc/66/71/52/572667152.db2.gz HJIYBSQDTWRRJY-IONNQARKSA-N 0 0 185.267 1.615 10 0 ADAERN COC(=O)c1ccc(CNC#N)cc1 238387719 572667164 /nfs/dbraw/zinc/66/71/64/572667164.db2.gz FJKUZJLCNZAGME-UHFFFAOYSA-N 0 0 190.202 1.044 10 0 ADAERN CC(C)[C@@](C)(CC(=O)[O-])[C@@H](C)[NH3+] 85115603 572667172 /nfs/dbraw/zinc/66/71/72/572667172.db2.gz QAGMSFURDOLOKV-VXNVDRBHSA-N 0 0 173.256 1.471 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC)CC(=O)[O-] 85117731 572667263 /nfs/dbraw/zinc/66/72/63/572667263.db2.gz XRRWOUZULMZKEM-BQBZGAKWSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@H]([NH3+])[C@H](CC(=O)[O-])C1CC1 85117517 572667300 /nfs/dbraw/zinc/66/73/00/572667300.db2.gz OEDWZYLSKFWRID-SFYZADRCSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]([NH3+])[C@@](C)(CC(=O)[O-])c1ccco1 85116087 572667309 /nfs/dbraw/zinc/66/73/09/572667309.db2.gz JKYJETNTZZRDCY-GMSGAONNSA-N 0 0 197.234 1.359 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])C(C)C 85117393 572667318 /nfs/dbraw/zinc/66/73/18/572667318.db2.gz WJYLPTYLYCIJDD-JGVFFNPUSA-N 0 0 173.256 1.471 10 0 ADAERN COc1ccc(OCCO)c(OC)c1 238390258 572667319 /nfs/dbraw/zinc/66/73/19/572667319.db2.gz WBRVRPZBDGBIAO-UHFFFAOYSA-N 0 0 198.218 1.075 10 0 ADAERN Cc1ccc([C@H](CC(=O)[O-])[C@H](C)[NH3+])o1 85115406 572667336 /nfs/dbraw/zinc/66/73/36/572667336.db2.gz AUTDPNVLVXWMDN-JGVFFNPUSA-N 0 0 197.234 1.494 10 0 ADAERN CCC[C@](C)(CC(=O)[O-])[C@@H](C)[NH3+] 85116141 572667350 /nfs/dbraw/zinc/66/73/50/572667350.db2.gz HIOJVZQHJKMUAP-VXNVDRBHSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H](O)CC[C@@H]2CO1 252206306 572667351 /nfs/dbraw/zinc/66/73/51/572667351.db2.gz XFEORGMUJFDYJX-KYXWUPHJSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@H](CCO)CNc1ccccc1N 85125710 572667382 /nfs/dbraw/zinc/66/73/82/572667382.db2.gz GJZPLARENRRWAG-SECBINFHSA-N 0 0 194.278 1.699 10 0 ADAERN CC[C@](CC(=O)[O-])(C(C)C)[C@H](C)[NH3+] 85115723 572667428 /nfs/dbraw/zinc/66/74/28/572667428.db2.gz MIECQNKPZNJQIT-WPRPVWTQSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@@H](CCO)CNc1ncccc1N 85125778 572667437 /nfs/dbraw/zinc/66/74/37/572667437.db2.gz OUEMMQIXNTYTTK-QMMMGPOBSA-N 0 0 195.266 1.094 10 0 ADAERN CC(C)([NH3+])[C@H](CC(=O)[O-])C1CC1 85118242 572667452 /nfs/dbraw/zinc/66/74/52/572667452.db2.gz UIIHFMHQJGFNKZ-SSDOTTSWSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]1CCC[C@@H](C)[NH+]1[C@H](C)C(=O)[O-] 252138160 572667457 /nfs/dbraw/zinc/66/74/57/572667457.db2.gz LUEOAIWQEDEWHO-IWSPIJDZSA-N 0 0 185.267 1.722 10 0 ADAERN CC[C@@H]([NH3+])[C@](C)(CC(=O)[O-])C1CC1 85117381 572667459 /nfs/dbraw/zinc/66/74/59/572667459.db2.gz PWMQCJQJHMZHJN-PSASIEDQSA-N 0 0 185.267 1.615 10 0 ADAERN CC[C@H]([NH3+])[C@@](C)(CC(=O)[O-])C1CC1 85117376 572667471 /nfs/dbraw/zinc/66/74/71/572667471.db2.gz PWMQCJQJHMZHJN-WPRPVWTQSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H](C(=O)[O-])C1C[C@@H](C)[NH+](C)[C@H](C)C1 252209732 572667484 /nfs/dbraw/zinc/66/74/84/572667484.db2.gz XVNWCKVPOVQNAK-HLTSFMKQSA-N 0 0 199.294 1.826 10 0 ADAERN CCOC(=O)Nc1cnoc1 70233245 572667497 /nfs/dbraw/zinc/66/74/97/572667497.db2.gz FHLBPHXEFNYQMI-UHFFFAOYSA-N 0 0 156.141 1.243 10 0 ADAERN CC(C)C[C@@](C)(CC(=O)[O-])[C@H](C)[NH3+] 85115708 572667504 /nfs/dbraw/zinc/66/75/04/572667504.db2.gz PXSMXANNAPOVSK-WPRPVWTQSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@H]([NH3+])[C@H](CC(=O)[O-])C(C)C 85117395 572667517 /nfs/dbraw/zinc/66/75/17/572667517.db2.gz WJYLPTYLYCIJDD-SFYZADRCSA-N 0 0 173.256 1.471 10 0 ADAERN CCC[C@H](CC(=O)[O-])[C@H]([NH3+])CC 85117144 572667556 /nfs/dbraw/zinc/66/75/56/572667556.db2.gz ACQCABXVRHFUAU-HTQZYQBOSA-N 0 0 173.256 1.615 10 0 ADAERN Cc1ccc(Cn2cc(N)cn2)cn1 405770678 572667578 /nfs/dbraw/zinc/66/75/78/572667578.db2.gz QVLFIMXHVMBJSF-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Fc1ccccc1OCc1ncon1 70233912 572667601 /nfs/dbraw/zinc/66/76/01/572667601.db2.gz HDMNWQIZDSWDTB-UHFFFAOYSA-N 0 0 194.165 1.788 10 0 ADAERN C[C@H]([NH3+])[C@@H](CC(=O)[O-])CC(C)(C)C 85116161 572667616 /nfs/dbraw/zinc/66/76/16/572667616.db2.gz WWMWNWTVYKIHGV-YUMQZZPRSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@@H](C)[C@@H](CC(=O)[O-])C(C)(C)[NH3+] 85118245 572667621 /nfs/dbraw/zinc/66/76/21/572667621.db2.gz LVKOHCPIAKFLBI-HTQZYQBOSA-N 0 0 187.283 1.861 10 0 ADAERN C1CC[C@@]2(CCCOC2)OC1 74342511 572673062 /nfs/dbraw/zinc/67/30/62/572673062.db2.gz IXMNCVZZYNKVHB-VIFPVBQESA-N 0 0 156.225 1.736 10 0 ADAERN C[C@@H](CCO)CNc1ccccc1N 85125709 572667678 /nfs/dbraw/zinc/66/76/78/572667678.db2.gz GJZPLARENRRWAG-VIFPVBQESA-N 0 0 194.278 1.699 10 0 ADAERN OC[C@H]1CCc2cccnc2C1 74340917 572667711 /nfs/dbraw/zinc/66/77/11/572667711.db2.gz JRKZKAXQALYGPJ-QMMMGPOBSA-N 0 0 163.220 1.179 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])C1CC1 85117519 572667735 /nfs/dbraw/zinc/66/77/35/572667735.db2.gz OEDWZYLSKFWRID-HTQZYQBOSA-N 0 0 171.240 1.225 10 0 ADAERN CS[C@@]1(OCCO)CCCCO1 238391423 572667754 /nfs/dbraw/zinc/66/77/54/572667754.db2.gz ZPRNFENYKOOAMA-QMMMGPOBSA-N 0 0 192.280 1.213 10 0 ADAERN CCN(CC)S(=O)(=O)C(C)C 70236016 572667789 /nfs/dbraw/zinc/66/77/89/572667789.db2.gz DVKCPTTTZCFDLQ-UHFFFAOYSA-N 0 0 179.285 1.066 10 0 ADAERN C[C@@H](O)c1ccc(CCCO)o1 238387566 572667794 /nfs/dbraw/zinc/66/77/94/572667794.db2.gz UJAJKRAJHZWRRG-SSDOTTSWSA-N 0 0 170.208 1.258 10 0 ADAERN O=Cc1cc(-c2cnco2)c[nH]1 74341605 572667799 /nfs/dbraw/zinc/66/77/99/572667799.db2.gz WSFMOGKXBXJJRT-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN C[C@@H]1C[C@@H]2CC(=O)CC[C@H]2CO1 252160115 572667804 /nfs/dbraw/zinc/66/78/04/572667804.db2.gz PSDXNLVNRIQBHN-HRDYMLBCSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2C[N@@H+]1C 252213569 572667813 /nfs/dbraw/zinc/66/78/13/572667813.db2.gz YSEXNVRXZFWPPY-KYXWUPHJSA-N 0 0 197.278 1.437 10 0 ADAERN C/C=C\[C@@H](CCO)OCCC 209406067 572667824 /nfs/dbraw/zinc/66/78/24/572667824.db2.gz OEBVMOBIROEJNH-LVCFMKKZSA-N 0 0 158.241 1.740 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])C1CC1 85117513 572667833 /nfs/dbraw/zinc/66/78/33/572667833.db2.gz OEDWZYLSKFWRID-YUMQZZPRSA-N 0 0 171.240 1.225 10 0 ADAERN CC[C@@H]([NH3+])C1(CC(=O)[O-])CCCC1 85117608 572667861 /nfs/dbraw/zinc/66/78/61/572667861.db2.gz XQHYQOHDPBKALK-MRVPVSSYSA-N 0 0 185.267 1.759 10 0 ADAERN CCC[C@@](C)(CC(=O)[O-])[C@H](C)[NH3+] 85116143 572667865 /nfs/dbraw/zinc/66/78/65/572667865.db2.gz HIOJVZQHJKMUAP-CBAPKCEASA-N 0 0 173.256 1.615 10 0 ADAERN C[C@H](CCCO)CCCCO 116166275 572667876 /nfs/dbraw/zinc/66/78/76/572667876.db2.gz DMIUMZKUIYPNLB-VIFPVBQESA-N 0 0 160.257 1.558 10 0 ADAERN CC[C@](CC(=O)[O-])(C1CC1)[C@H](C)[NH3+] 85116234 572667890 /nfs/dbraw/zinc/66/78/90/572667890.db2.gz DRDDHPXRHMJLCE-OIBJUYFYSA-N 0 0 185.267 1.615 10 0 ADAERN CCc1ccc(C#N)c(C=O)n1 74341910 572667904 /nfs/dbraw/zinc/66/79/04/572667904.db2.gz IUSDGADNGSEZBD-UHFFFAOYSA-N 0 0 160.176 1.328 10 0 ADAERN C[C@H]1[C@H](C)CCC[N@H+]1C(C)(C)C(=O)[O-] 252134405 572667929 /nfs/dbraw/zinc/66/79/29/572667929.db2.gz LHIOOCZXWGCBAU-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])C(C)C 85117391 572667935 /nfs/dbraw/zinc/66/79/35/572667935.db2.gz WJYLPTYLYCIJDD-YUMQZZPRSA-N 0 0 173.256 1.471 10 0 ADAERN CCC(CC)[C@H](CC(=O)[O-])[C@H](C)[NH3+] 85115628 572667939 /nfs/dbraw/zinc/66/79/39/572667939.db2.gz BNHCMSFQKVRBJP-IONNQARKSA-N 0 0 187.283 1.861 10 0 ADAERN Cc1[nH]c2nc(C=O)cn2c1C 74341333 572667940 /nfs/dbraw/zinc/66/79/40/572667940.db2.gz CUUYVONMJQCVNM-UHFFFAOYSA-N 0 0 163.180 1.092 10 0 ADAERN Cc1oc(-n2cccc2)cc1N 74341543 572667978 /nfs/dbraw/zinc/66/79/78/572667978.db2.gz PUQLWQXHPOCFMA-UHFFFAOYSA-N 0 0 162.192 1.961 10 0 ADAERN CCC(CC)(CC(=O)[O-])[C@@H](C)[NH3+] 85115885 572667981 /nfs/dbraw/zinc/66/79/81/572667981.db2.gz ILPJYLWEYABWMV-SSDOTTSWSA-N 0 0 173.256 1.615 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[C@H]([NH3+])CC 85117142 572667991 /nfs/dbraw/zinc/66/79/91/572667991.db2.gz ACQCABXVRHFUAU-JGVFFNPUSA-N 0 0 173.256 1.615 10 0 ADAERN Cc1cc(-c2cc(N)c[nH]2)n[nH]1 74341496 572667996 /nfs/dbraw/zinc/66/79/96/572667996.db2.gz ZMHDJLHPZLPNMN-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN CO[C@@H](C(=O)NC(C)(C)C)C(C)C 238391502 572668005 /nfs/dbraw/zinc/66/80/05/572668005.db2.gz OZASCUDDXDFSTM-MRVPVSSYSA-N 0 0 187.283 1.572 10 0 ADAERN CC[C@@H]([NH3+])[C@H](CC(=O)[O-])C(C)C 85117397 572668041 /nfs/dbraw/zinc/66/80/41/572668041.db2.gz WJYLPTYLYCIJDD-HTQZYQBOSA-N 0 0 173.256 1.471 10 0 ADAERN O[C@H]1CCSCC12CCC2 74342097 572668044 /nfs/dbraw/zinc/66/80/44/572668044.db2.gz KMTUOCVXBYGLBF-ZETCQYMHSA-N 0 0 158.266 1.655 10 0 ADAERN CC[C@@H]([NH3+])[C@@](C)(CC)CC(=O)[O-] 85117820 572668060 /nfs/dbraw/zinc/66/80/60/572668060.db2.gz AMUMXSRRWBLJIX-APPZFPTMSA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@](CC(=O)[O-])(C1CC1)[C@@H](C)[NH3+] 85116230 572668084 /nfs/dbraw/zinc/66/80/84/572668084.db2.gz DRDDHPXRHMJLCE-GMSGAONNSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1C[C@H]2CC(=O)CC[C@H]2CO1 252160116 572668085 /nfs/dbraw/zinc/66/80/85/572668085.db2.gz PSDXNLVNRIQBHN-VGMNWLOBSA-N 0 0 168.236 1.781 10 0 ADAERN O=Cc1cc(-n2cccc2)co1 74341793 572668090 /nfs/dbraw/zinc/66/80/90/572668090.db2.gz JCQORHXUWASDAZ-UHFFFAOYSA-N 0 0 161.160 1.883 10 0 ADAERN C[C@H](CCO)CNc1cccc(N)c1 85125827 572668091 /nfs/dbraw/zinc/66/80/91/572668091.db2.gz LFQKHXVDUPBODS-SECBINFHSA-N 0 0 194.278 1.699 10 0 ADAERN CC(C)([NH3+])[C@@](C)(CC(=O)[O-])C1CC1 85118206 572668096 /nfs/dbraw/zinc/66/80/96/572668096.db2.gz VJOZCRPJPDILFG-JTQLQIEISA-N 0 0 185.267 1.615 10 0 ADAERN CC[C@H](C)[C@H](CC(=O)[O-])C(C)(C)[NH3+] 85118248 572668100 /nfs/dbraw/zinc/66/81/00/572668100.db2.gz LVKOHCPIAKFLBI-YUMQZZPRSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@@H]1C[C@H]2CC(=O)C[C@H]2CO1 252196416 572668103 /nfs/dbraw/zinc/66/81/03/572668103.db2.gz VOPRACZDSYVENW-CSMHCCOUSA-N 0 0 154.209 1.391 10 0 ADAERN CC[C@H]([NH3+])[C@H](CC(=O)[O-])CC(C)C 85117455 572668104 /nfs/dbraw/zinc/66/81/04/572668104.db2.gz LNKJZGQKMFRCAF-IUCAKERBSA-N 0 0 187.283 1.861 10 0 ADAERN Cc1ccc([C@H](CC(=O)[O-])[C@@H](C)[NH3+])o1 85115400 572668118 /nfs/dbraw/zinc/66/81/18/572668118.db2.gz AUTDPNVLVXWMDN-HTQZYQBOSA-N 0 0 197.234 1.494 10 0 ADAERN CC[C@H](C)[C@@H](CC(=O)[O-])[C@@H](C)[NH3+] 85116148 572668121 /nfs/dbraw/zinc/66/81/21/572668121.db2.gz LJLWORWVXCKTHP-XLPZGREQSA-N 0 0 173.256 1.471 10 0 ADAERN CC(C)C[C@](C)(CC(=O)[O-])[C@@H](C)[NH3+] 85115706 572668128 /nfs/dbraw/zinc/66/81/28/572668128.db2.gz PXSMXANNAPOVSK-PSASIEDQSA-N 0 0 187.283 1.861 10 0 ADAERN Nc1ccc(-c2ncco2)cn1 74341779 572668135 /nfs/dbraw/zinc/66/81/35/572668135.db2.gz RDTRMEQNCLKJDH-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Cc1nccn1-c1coc(N)c1 74341289 572668140 /nfs/dbraw/zinc/66/81/40/572668140.db2.gz LAFTYQDTGRZKQC-UHFFFAOYSA-N 0 0 163.180 1.356 10 0 ADAERN CC[C@H](C)[C@](C)(CC(=O)[O-])[C@@H](C)[NH3+] 85116298 572668150 /nfs/dbraw/zinc/66/81/50/572668150.db2.gz VZNIESSMUDSIPK-XKSSXDPKSA-N 0 0 187.283 1.861 10 0 ADAERN CCCN(C)C(=O)OCC 70232889 572668156 /nfs/dbraw/zinc/66/81/56/572668156.db2.gz PQKXVPODMYXMCP-UHFFFAOYSA-N 0 0 145.202 1.485 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])C1CC1 85117515 572668161 /nfs/dbraw/zinc/66/81/61/572668161.db2.gz OEDWZYLSKFWRID-JGVFFNPUSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H](CCO)CNc1ccc(N)cn1 85125666 572668172 /nfs/dbraw/zinc/66/81/72/572668172.db2.gz CXUIRNRMSYAHFM-QMMMGPOBSA-N 0 0 195.266 1.094 10 0 ADAERN Cn1cnc2cc(N)sc21 74343107 572673101 /nfs/dbraw/zinc/67/31/01/572673101.db2.gz OGYXNVWSBAPFEX-UHFFFAOYSA-N 0 0 153.210 1.217 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H]2CSCC[C@H]2O1 252153131 572668196 /nfs/dbraw/zinc/66/81/96/572668196.db2.gz OVQSWTKZHUBUHT-RYPBNFRJSA-N 0 0 188.292 1.278 10 0 ADAERN N[C@@H](c1ccoc1)c1cc[nH]n1 74341136 572668215 /nfs/dbraw/zinc/66/82/15/572668215.db2.gz FWRGQSBZNMIMOK-QMMMGPOBSA-N 0 0 163.180 1.051 10 0 ADAERN C[C@@H](CC(=O)CO)c1ccc(O)cc1 238389525 572668219 /nfs/dbraw/zinc/66/82/19/572668219.db2.gz YCCREDAEJBCOJT-QMMMGPOBSA-N 0 0 194.230 1.447 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])c1ccco1 85117545 572668220 /nfs/dbraw/zinc/66/82/20/572668220.db2.gz OGZZUQDVQLRFSP-HTQZYQBOSA-N 0 0 197.234 1.575 10 0 ADAERN CC[C@H]([NH3+])[C@@](C)(CC(=O)[O-])C(C)C 85117189 572668223 /nfs/dbraw/zinc/66/82/23/572668223.db2.gz MIFOBMYQGCIHMK-WPRPVWTQSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](CC(=O)[O-])C(F)(F)F 85117508 572668226 /nfs/dbraw/zinc/66/82/26/572668226.db2.gz UGMZBRBOBFFZHY-RFZPGFLSSA-N 0 0 199.172 1.377 10 0 ADAERN CONCc1nc2ccccc2s1 70267460 572673105 /nfs/dbraw/zinc/67/31/05/572673105.db2.gz ITVJRQBYGGUZQN-UHFFFAOYSA-N 0 0 194.259 1.947 10 0 ADAERN C[C@@H]([NH3+])[C@H](CC(=O)[O-])CC(C)(C)C 85116167 572668239 /nfs/dbraw/zinc/66/82/39/572668239.db2.gz WWMWNWTVYKIHGV-HTQZYQBOSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)[C@@](C)(CC(=O)[O-])C(C)(C)[NH3+] 85118142 572668250 /nfs/dbraw/zinc/66/82/50/572668250.db2.gz VZLFKLMOHNHQCK-SNVBAGLBSA-N 0 0 187.283 1.861 10 0 ADAERN O=Cc1ccc(-c2ccon2)[nH]1 74341610 572668255 /nfs/dbraw/zinc/66/82/55/572668255.db2.gz YYACPFGHCOFXHT-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN CC[C@@H]([NH3+])[C@](C)(CC(=O)[O-])C(C)C 85117194 572668263 /nfs/dbraw/zinc/66/82/63/572668263.db2.gz MIFOBMYQGCIHMK-PSASIEDQSA-N 0 0 187.283 1.861 10 0 ADAERN CO[C@@H](OCCCO)C(C)C 238388548 572668285 /nfs/dbraw/zinc/66/82/85/572668285.db2.gz CFQDWJJDJIXQAA-QMMMGPOBSA-N 0 0 162.229 1.014 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2[C@H]1C2(C)C 209372013 572668296 /nfs/dbraw/zinc/66/82/96/572668296.db2.gz NXDSRDCXABESSR-PRJMDXOYSA-N 0 0 168.236 1.842 10 0 ADAERN CC(C)([NH3+])[C@@H](CC(=O)[O-])c1ccco1 85118251 572668298 /nfs/dbraw/zinc/66/82/98/572668298.db2.gz NLSARFBOBWLPTA-ZETCQYMHSA-N 0 0 197.234 1.575 10 0 ADAERN CCC(CC)[C@@H](CC(=O)[O-])[C@H](C)[NH3+] 85115624 572668355 /nfs/dbraw/zinc/66/83/55/572668355.db2.gz BNHCMSFQKVRBJP-CBAPKCEASA-N 0 0 187.283 1.861 10 0 ADAERN Cc1ccoc1-c1n[nH]cc1N 74341241 572668370 /nfs/dbraw/zinc/66/83/70/572668370.db2.gz DTXGFNJFGUZXNO-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CC(C)[C@](C)(CC(=O)[O-])[C@@H](C)[NH3+] 85115605 572668381 /nfs/dbraw/zinc/66/83/81/572668381.db2.gz QAGMSFURDOLOKV-APPZFPTMSA-N 0 0 173.256 1.471 10 0 ADAERN Nc1cc2c(C3CC3)n[nH]c2[nH]1 74341443 572668383 /nfs/dbraw/zinc/66/83/83/572668383.db2.gz WFIZMFNRMUUFGK-UHFFFAOYSA-N 0 0 162.196 1.351 10 0 ADAERN C[C@@H](CCO)CNc1cccc(N)c1 85125824 572668414 /nfs/dbraw/zinc/66/84/14/572668414.db2.gz LFQKHXVDUPBODS-VIFPVBQESA-N 0 0 194.278 1.699 10 0 ADAERN O=Cc1cc(-c2cnoc2)c[nH]1 74341609 572668430 /nfs/dbraw/zinc/66/84/30/572668430.db2.gz AXLQXWDRCLOWIB-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN C[C@@H]([NH3+])[C@@H](CC(=O)[O-])c1cccs1 85116237 572668433 /nfs/dbraw/zinc/66/84/33/572668433.db2.gz RBOWUSODGCCBLR-RNFRBKRXSA-N 0 0 199.275 1.654 10 0 ADAERN CCC[C@](C)(CC(=O)[O-])[C@H](C)[NH3+] 85116144 572668438 /nfs/dbraw/zinc/66/84/38/572668438.db2.gz HIOJVZQHJKMUAP-IONNQARKSA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@H]([NH3+])[C@@H](CC(=O)[O-])C(F)(F)F 85117506 572668455 /nfs/dbraw/zinc/66/84/55/572668455.db2.gz UGMZBRBOBFFZHY-UHNVWZDZSA-N 0 0 199.172 1.377 10 0 ADAERN CC(C)S(=O)(=O)NC1CCCC1 70236018 572668460 /nfs/dbraw/zinc/66/84/60/572668460.db2.gz MPWNCWBGSJSLQL-UHFFFAOYSA-N 0 0 191.296 1.257 10 0 ADAERN CC(C)C[C@H](CC(=O)[O-])C(C)(C)[NH3+] 85118226 572668462 /nfs/dbraw/zinc/66/84/62/572668462.db2.gz SZDPHBGFXVHRRR-MRVPVSSYSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@@H]1C[C@@H]2CC(=O)C[C@H]2CO1 252196417 572668496 /nfs/dbraw/zinc/66/84/96/572668496.db2.gz VOPRACZDSYVENW-PRJMDXOYSA-N 0 0 154.209 1.391 10 0 ADAERN Cc1ccc2c(n1)C[C@H](O)CC2 74340908 572668497 /nfs/dbraw/zinc/66/84/97/572668497.db2.gz SJXVSNBELWIFCA-SECBINFHSA-N 0 0 163.220 1.240 10 0 ADAERN CC(=O)OCc1ccc([C@@H](C)O)o1 238387648 572668501 /nfs/dbraw/zinc/66/85/01/572668501.db2.gz WKIINTOUJWKBPJ-ZCFIWIBFSA-N 0 0 184.191 1.396 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]2C[N@@H+]1C 252213568 572668539 /nfs/dbraw/zinc/66/85/39/572668539.db2.gz YSEXNVRXZFWPPY-IMSYWVGJSA-N 0 0 197.278 1.437 10 0 ADAERN Cc1cc(-c2cc(N)c[nH]2)no1 74341309 572668601 /nfs/dbraw/zinc/66/86/01/572668601.db2.gz YDTKTAALIYHBHL-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@H](O)CC[C@H]2CO1 252206308 572668626 /nfs/dbraw/zinc/66/86/26/572668626.db2.gz XFEORGMUJFDYJX-UTINFBMNSA-N 0 0 170.252 1.572 10 0 ADAERN Nc1cc2onc(C3CC3)c2[nH]1 74341153 572668631 /nfs/dbraw/zinc/66/86/31/572668631.db2.gz UWTIQUSBPPXPEO-UHFFFAOYSA-N 0 0 163.180 1.616 10 0 ADAERN C=C=C[C@](N)(CC(C)C)C(=O)OC 238388161 572668633 /nfs/dbraw/zinc/66/86/33/572668633.db2.gz UAXNOLDNMLDJLL-JTQLQIEISA-N 0 0 183.251 1.244 10 0 ADAERN N[C@H](c1ccco1)c1cnco1 74340656 572668656 /nfs/dbraw/zinc/66/86/56/572668656.db2.gz MVKADTGPNDPCEB-MRVPVSSYSA-N 0 0 164.164 1.316 10 0 ADAERN COc1ccc(CC[C@H](F)CO)cc1 238387626 572668682 /nfs/dbraw/zinc/66/86/82/572668682.db2.gz IPBKIBXFOXPZOB-JTQLQIEISA-N 0 0 198.237 1.958 10 0 ADAERN OC[C@@H]1CCc2cccnc2C1 74340914 572668694 /nfs/dbraw/zinc/66/86/94/572668694.db2.gz JRKZKAXQALYGPJ-MRVPVSSYSA-N 0 0 163.220 1.179 10 0 ADAERN c1cc(CNc2cc[nH]n2)c[nH]1 74341432 572668729 /nfs/dbraw/zinc/66/87/29/572668729.db2.gz MAHDLPHBCBXQMN-UHFFFAOYSA-N 0 0 162.196 1.350 10 0 ADAERN C[C@H]1[C@H](C)CCCN1c1c[nH]nc1N 252175052 572668738 /nfs/dbraw/zinc/66/87/38/572668738.db2.gz OUCPABHJYBTEBR-SFYZADRCSA-N 0 0 194.282 1.617 10 0 ADAERN CO[C@@H](SCCO)[Si](C)(C)C 238389028 572668747 /nfs/dbraw/zinc/66/87/47/572668747.db2.gz XQXCLOHUFSURAR-ZETCQYMHSA-N 0 0 194.372 1.562 10 0 ADAERN C1COC[C@@]2(C1)CCSC2 74342094 572668811 /nfs/dbraw/zinc/66/88/11/572668811.db2.gz VFNPDMUKTIEUTG-MRVPVSSYSA-N 0 0 158.266 1.920 10 0 ADAERN Nc1cncnc1-c1ccc[nH]1 74341874 572668814 /nfs/dbraw/zinc/66/88/14/572668814.db2.gz QUMBDGJDFZLOAU-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1conc1-c1cccnc1 74341758 572668822 /nfs/dbraw/zinc/66/88/22/572668822.db2.gz WHTNYHQINRMFBJ-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN C[C@H]1C[C@H]([C@@H](C)C(=O)[O-])C[C@@H](C)[N@H+]1C 252209734 572668847 /nfs/dbraw/zinc/66/88/47/572668847.db2.gz XVNWCKVPOVQNAK-UTINFBMNSA-N 0 0 199.294 1.826 10 0 ADAERN CO[C@H](c1ccccc1)[C@@H](C)NC=O 238389345 572668871 /nfs/dbraw/zinc/66/88/71/572668871.db2.gz JYKSVGMUVRUDBH-KOLCDFICSA-N 0 0 193.246 1.509 10 0 ADAERN CO[C@@H](C(=O)c1ccc[nH]1)C(C)C 238391512 572668886 /nfs/dbraw/zinc/66/88/86/572668886.db2.gz YLYQEOYKSVOEMH-SNVBAGLBSA-N 0 0 181.235 1.868 10 0 ADAERN COc1cccc2c(N)c[nH]c12 74341522 572668969 /nfs/dbraw/zinc/66/89/69/572668969.db2.gz HQRDZOJDDZXULT-UHFFFAOYSA-N 0 0 162.192 1.759 10 0 ADAERN O=Cc1ccc(-n2cccn2)o1 74341612 572669023 /nfs/dbraw/zinc/66/90/23/572669023.db2.gz FWVZMDMYUAOPMW-UHFFFAOYSA-N 0 0 162.148 1.278 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2C[N@@H+]1C 252213570 572669040 /nfs/dbraw/zinc/66/90/40/572669040.db2.gz YSEXNVRXZFWPPY-ZYUZMQFOSA-N 0 0 197.278 1.437 10 0 ADAERN Cc1ncc(-c2cc(N)c[nH]2)o1 74341319 572669074 /nfs/dbraw/zinc/66/90/74/572669074.db2.gz YPAQJLFQTOPFNG-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Cc1ocnc1-c1cc(N)c[nH]1 74341323 572669081 /nfs/dbraw/zinc/66/90/81/572669081.db2.gz JUOVHPXRUSXTHW-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Cc1nc(N)oc1-n1cccc1 74341330 572669113 /nfs/dbraw/zinc/66/91/13/572669113.db2.gz NXSQCTFXDVOBLT-UHFFFAOYSA-N 0 0 163.180 1.356 10 0 ADAERN COc1c[nH]c2[nH]c(C=O)cc12 74340670 572669128 /nfs/dbraw/zinc/66/91/28/572669128.db2.gz VRYNUXXQMDESMV-UHFFFAOYSA-N 0 0 164.164 1.317 10 0 ADAERN Cc1cn2c(C)c(C=O)nc2[nH]1 74341272 572669253 /nfs/dbraw/zinc/66/92/53/572669253.db2.gz VLLJBUGRPHRVQG-UHFFFAOYSA-N 0 0 163.180 1.092 10 0 ADAERN Nc1cc[nH]c1-c1cncnc1 74341887 572669236 /nfs/dbraw/zinc/66/92/36/572669236.db2.gz TYJNAEVRJGOJIO-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN CCCN(C)S(=O)(=O)C(C)C 70232904 572669250 /nfs/dbraw/zinc/66/92/50/572669250.db2.gz ZDOGAONIPCFTPT-UHFFFAOYSA-N 0 0 179.285 1.066 10 0 ADAERN C[C@@H]1C[C@H](O)[C@H]2CSCC[C@H]2O1 252153129 572669255 /nfs/dbraw/zinc/66/92/55/572669255.db2.gz OVQSWTKZHUBUHT-LURQLKTLSA-N 0 0 188.292 1.278 10 0 ADAERN Cc1coc(-c2oncc2N)c1 74340683 572669287 /nfs/dbraw/zinc/66/92/87/572669287.db2.gz PUOACYHNYMOCBD-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cc1cc(-c2ncoc2N)co1 74340662 572669296 /nfs/dbraw/zinc/66/92/96/572669296.db2.gz QYKGXZWRCCNKAM-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C[C@H](C(=O)[O-])C1C[C@H](C)[NH+](C)[C@@H](C)C1 252209731 572669297 /nfs/dbraw/zinc/66/92/97/572669297.db2.gz XVNWCKVPOVQNAK-CIUDSAMLSA-N 0 0 199.294 1.826 10 0 ADAERN CCCCNOCC 70268416 572673159 /nfs/dbraw/zinc/67/31/59/572673159.db2.gz LMSKSAOCOHSCEL-UHFFFAOYSA-N 0 0 117.192 1.328 10 0 ADAERN Cc1n[nH]cc1-c1[nH]ccc1N 74341480 572669448 /nfs/dbraw/zinc/66/94/48/572669448.db2.gz HADVPJSOYXTYDL-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN O=Cc1ccc(-n2cccc2)o1 74341792 572669456 /nfs/dbraw/zinc/66/94/56/572669456.db2.gz CJTXZEOVOBWFOS-UHFFFAOYSA-N 0 0 161.160 1.883 10 0 ADAERN O=Cc1cc(-c2ccc[nH]2)on1 74341594 572669469 /nfs/dbraw/zinc/66/94/69/572669469.db2.gz GHIQEFVFHZPAAA-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN O=Cc1ccc2[nH]ccc2c1O 74341797 572669487 /nfs/dbraw/zinc/66/94/87/572669487.db2.gz YJJNGQHWQJAUJE-UHFFFAOYSA-N 0 0 161.160 1.686 10 0 ADAERN Cc1ccc(-c2oncc2N)o1 74340678 572669503 /nfs/dbraw/zinc/66/95/03/572669503.db2.gz RQNJRUCEQXWXPH-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C[C@H]1CCc2ncnc(N)c2C1 74340839 572669506 /nfs/dbraw/zinc/66/95/06/572669506.db2.gz RXYNZFLKFFCIBW-LURJTMIESA-N 0 0 163.224 1.184 10 0 ADAERN Cc1cocc1-c1oncc1N 74340699 572669590 /nfs/dbraw/zinc/66/95/90/572669590.db2.gz CKFMXTGNMPFWFX-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN COC(=O)CNCC(C)(C)C(C)C 234532205 572669610 /nfs/dbraw/zinc/66/96/10/572669610.db2.gz JSKKHEOAPWCORV-UHFFFAOYSA-N 0 0 187.283 1.431 10 0 ADAERN Cc1cc(-c2[nH]ccc2N)n[nH]1 74341483 572669630 /nfs/dbraw/zinc/66/96/30/572669630.db2.gz JPYHWRXTGCSUMH-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN C[C@H](N(O)C(N)=O)C(C)(C)C 74341853 572669636 /nfs/dbraw/zinc/66/96/36/572669636.db2.gz DOSQYZZHIGHIFB-YFKPBYRVSA-N 0 0 160.217 1.191 10 0 ADAERN Cc1cc2nc(C=O)oc2cn1 74341598 572669653 /nfs/dbraw/zinc/66/96/53/572669653.db2.gz WBDFDKHIPLCJRX-UHFFFAOYSA-N 0 0 162.148 1.344 10 0 ADAERN Nc1cc2c(C3CC3)noc2o1 74340666 572669675 /nfs/dbraw/zinc/66/96/75/572669675.db2.gz YMLOSSZJIBDYEP-UHFFFAOYSA-N 0 0 164.164 1.880 10 0 ADAERN Nc1cc2c(C3CC3)noc2[nH]1 74341158 572669685 /nfs/dbraw/zinc/66/96/85/572669685.db2.gz YOGDTDMLIYDGPA-UHFFFAOYSA-N 0 0 163.180 1.616 10 0 ADAERN Cc1ncoc1-c1cc(N)c[nH]1 74341322 572669716 /nfs/dbraw/zinc/66/97/16/572669716.db2.gz SZNCFRHSXUXHBJ-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Nc1cnoc1-c1ccccn1 74341772 572669725 /nfs/dbraw/zinc/66/97/25/572669725.db2.gz SCTZHGGDJMEZKV-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cc[nH]c1Cc1cc[nH]c1 74341672 572669730 /nfs/dbraw/zinc/66/97/30/572669730.db2.gz AWHGGAJWDWCZKZ-UHFFFAOYSA-N 0 0 161.208 1.516 10 0 ADAERN CCc1[nH][nH]c2cc(C=O)nc1-2 74341182 572669738 /nfs/dbraw/zinc/66/97/38/572669738.db2.gz UZUXNEDAAZFTNS-UHFFFAOYSA-N 0 0 163.180 1.266 10 0 ADAERN O=Cc1ccc(-c2cn[nH]c2)[nH]1 74341765 572669781 /nfs/dbraw/zinc/66/97/81/572669781.db2.gz HCPFXQWDYSWEFC-UHFFFAOYSA-N 0 0 161.164 1.217 10 0 ADAERN Nc1c[nH]c2c(C3CC3)n[nH]c12 74341440 572669794 /nfs/dbraw/zinc/66/97/94/572669794.db2.gz SSAGKYUVSQNCSR-UHFFFAOYSA-N 0 0 162.196 1.351 10 0 ADAERN C1COC[C@]2(C1)CCSC2 74342095 572669800 /nfs/dbraw/zinc/66/98/00/572669800.db2.gz VFNPDMUKTIEUTG-QMMMGPOBSA-N 0 0 158.266 1.920 10 0 ADAERN Nn1cnc(-c2ccccc2)c1 74342021 572669804 /nfs/dbraw/zinc/66/98/04/572669804.db2.gz DTUBPCSMUKQAKJ-UHFFFAOYSA-N 0 0 159.192 1.264 10 0 ADAERN COc1ccc(CNC(=O)CF)cc1 238392173 572669809 /nfs/dbraw/zinc/66/98/09/572669809.db2.gz ONSZIUBIPCFDNZ-UHFFFAOYSA-N 0 0 197.209 1.281 10 0 ADAERN Cc1cc2ccc(C=O)cn2n1 74341898 572669812 /nfs/dbraw/zinc/66/98/12/572669812.db2.gz FLYMLZDFJYXHAG-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CCCO[C@H]1CCCN(C(C)=O)C1 70232550 572669819 /nfs/dbraw/zinc/66/98/19/572669819.db2.gz BSIDJNPXNPYNIS-JTQLQIEISA-N 0 0 185.267 1.424 10 0 ADAERN COc1cccc([C@H](C)CO)c1OC 238391682 572669858 /nfs/dbraw/zinc/66/98/58/572669858.db2.gz ZHBDLABRPJPLKG-MRVPVSSYSA-N 0 0 196.246 1.800 10 0 ADAERN Cc1ccc(NC[C@@H](C)CCO)nc1 85132732 572669879 /nfs/dbraw/zinc/66/98/79/572669879.db2.gz BQEQWESEJRMHLV-JTQLQIEISA-N 0 0 194.278 1.820 10 0 ADAERN O=Cc1scc2c1NCC2 74343111 572673196 /nfs/dbraw/zinc/67/31/96/572673196.db2.gz OFQPBRBTCJCFKS-UHFFFAOYSA-N 0 0 153.206 1.529 10 0 ADAERN CC[S@](C)(=O)=N[S@@](=N)(=O)CC 404598415 572669901 /nfs/dbraw/zinc/66/99/01/572669901.db2.gz GEKIRXQWMZXERH-WDEREUQCSA-N 0 0 198.313 1.086 10 0 ADAERN C[C@@H](C[C@@H](C)O)C(=O)OC(C)(C)C 238398223 572673198 /nfs/dbraw/zinc/67/31/98/572673198.db2.gz YZIDBEXQMLZLDG-JGVFFNPUSA-N 0 0 188.267 1.735 10 0 ADAERN c1ccc(OCc2ncon2)cc1 70233919 572669987 /nfs/dbraw/zinc/66/99/87/572669987.db2.gz NRGBCLFURZGAAU-UHFFFAOYSA-N 0 0 176.175 1.649 10 0 ADAERN COCC(=O)Cc1sccc1C 238398488 572673209 /nfs/dbraw/zinc/67/32/09/572673209.db2.gz PXWZVPRNNOYKIM-UHFFFAOYSA-N 0 0 184.260 1.815 10 0 ADAERN Nc1cnncc1-c1ccco1 74341759 572670014 /nfs/dbraw/zinc/67/00/14/572670014.db2.gz DXKIYSQNIUBEFO-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H](O)CC[C@H]2CO1 252206307 572670033 /nfs/dbraw/zinc/67/00/33/572670033.db2.gz XFEORGMUJFDYJX-RGOKHQFPSA-N 0 0 170.252 1.572 10 0 ADAERN O=Cc1ccc(-n2cccc2)[nH]1 74341911 572670035 /nfs/dbraw/zinc/67/00/35/572670035.db2.gz FBIVQBSHUPYSKP-UHFFFAOYSA-N 0 0 160.176 1.618 10 0 ADAERN Cc1cccnc1NC[C@H](C)CCO 85132497 572670052 /nfs/dbraw/zinc/67/00/52/572670052.db2.gz VDZQWMRFZSLQFS-SECBINFHSA-N 0 0 194.278 1.820 10 0 ADAERN C[C@H]1[C@H](C)C[C@H](C(=O)[O-])C[N@@H+]1C 252133532 572670063 /nfs/dbraw/zinc/67/00/63/572670063.db2.gz MHJRLRHSKMCOLE-CSMHCCOUSA-N 0 0 171.240 1.047 10 0 ADAERN Cc1cc(-n2ccnc2)oc1N 74341291 572670084 /nfs/dbraw/zinc/67/00/84/572670084.db2.gz URGOANDGYRULHY-UHFFFAOYSA-N 0 0 163.180 1.356 10 0 ADAERN C/C=C/C=C/CSCCNC(C)=O 308088955 572670123 /nfs/dbraw/zinc/67/01/23/572670123.db2.gz ZVPPWACRNARVAE-VNKDHWASSA-N 0 0 199.319 1.988 10 0 ADAERN O=Cc1ccc(-n2cccn2)[nH]1 74341775 572670125 /nfs/dbraw/zinc/67/01/25/572670125.db2.gz PGPOCISCXLQBFF-UHFFFAOYSA-N 0 0 161.164 1.013 10 0 ADAERN C[C@@H]1C[C@H](O)[C@H]2CSCC[C@@H]2O1 252153127 572670155 /nfs/dbraw/zinc/67/01/55/572670155.db2.gz OVQSWTKZHUBUHT-HXFLIBJXSA-N 0 0 188.292 1.278 10 0 ADAERN Cn1ccc(-c2oncc2N)c1 74341260 572670160 /nfs/dbraw/zinc/67/01/60/572670160.db2.gz JFZYJVFATYLSHC-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN COc1cccc([C@H](C)NO)c1OC 238392021 572670213 /nfs/dbraw/zinc/67/02/13/572670213.db2.gz SLUOQBDFKSLWFM-ZETCQYMHSA-N 0 0 197.234 1.744 10 0 ADAERN Cc1cc(-c2[nH]ccc2N)no1 74341302 572670217 /nfs/dbraw/zinc/67/02/17/572670217.db2.gz CNUOOEOEPHXAEG-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN N[C@H](c1cc[nH]c1)c1ncco1 74341126 572670227 /nfs/dbraw/zinc/67/02/27/572670227.db2.gz AKSLPJHCJQAXGJ-SSDOTTSWSA-N 0 0 163.180 1.051 10 0 ADAERN Cc1c[nH]c2nc(C=O)c(C)n12 74341266 572670240 /nfs/dbraw/zinc/67/02/40/572670240.db2.gz RHBNIWAIQASQIX-UHFFFAOYSA-N 0 0 163.180 1.092 10 0 ADAERN Cc1coc(-c2cc(N)n[nH]2)c1 74341161 572670255 /nfs/dbraw/zinc/67/02/55/572670255.db2.gz ZDFXMCNAPOSFEX-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CC[S@@](=N)(=O)N=[S@@](C)(=O)CC 404598413 572670277 /nfs/dbraw/zinc/67/02/77/572670277.db2.gz GEKIRXQWMZXERH-QWRGUYRKSA-N 0 0 198.313 1.086 10 0 ADAERN O=Cc1ncoc1-c1ccco1 74341369 572670312 /nfs/dbraw/zinc/67/03/12/572670312.db2.gz BCVOXKOIQZFXGY-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN Cc1oc(N)cc1-n1cccc1 74341541 572670316 /nfs/dbraw/zinc/67/03/16/572670316.db2.gz FALQCNNHOCBHOK-UHFFFAOYSA-N 0 0 162.192 1.961 10 0 ADAERN Cc1c[nH]nc1-c1cc(N)c[nH]1 74341488 572670320 /nfs/dbraw/zinc/67/03/20/572670320.db2.gz JUFHRSJCMFEIKW-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN C[C@@H]1CCc2ncnc(N)c2C1 74340836 572670324 /nfs/dbraw/zinc/67/03/24/572670324.db2.gz RXYNZFLKFFCIBW-ZCFIWIBFSA-N 0 0 163.224 1.184 10 0 ADAERN O=Cc1cc(-c2ccon2)c[nH]1 74341601 572670367 /nfs/dbraw/zinc/67/03/67/572670367.db2.gz LJIIDHFPTAKXIB-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN Cc1cnc(-c2[nH]ccc2N)o1 74341308 572670406 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1.221 10 0 ADAERN O=Cc1cc2cnoc2s1 74343203 572676014 /nfs/dbraw/zinc/67/60/14/572676014.db2.gz XBJOPXVNDPGQDL-UHFFFAOYSA-N 0 0 153.162 1.702 10 0 ADAERN FC(F)(F)COCc1ccon1 308091826 572676162 /nfs/dbraw/zinc/67/61/62/572676162.db2.gz UFXQHIHXLCLJKY-UHFFFAOYSA-N 0 0 181.113 1.754 10 0 ADAERN COC(OC)(OC)c1ncccc1C 198022596 572676208 /nfs/dbraw/zinc/67/62/08/572676208.db2.gz WYWYUZNZJGTZPQ-UHFFFAOYSA-N 0 0 197.234 1.440 10 0 ADAERN COC[C@]1(C)CC(=O)N[C@H]1CC(C)C 85137268 572676372 /nfs/dbraw/zinc/67/63/72/572676372.db2.gz ZKXRMJFNDHGHAL-ONGXEEELSA-N 0 0 199.294 1.574 10 0 ADAERN CN(C)Cc1ccoc1C=O 74343176 572676309 /nfs/dbraw/zinc/67/63/09/572676309.db2.gz PHMSAFJGIRBLNK-UHFFFAOYSA-N 0 0 153.181 1.154 10 0 ADAERN CC[C@H]1NC(=O)C[C@@]1(CC)COC 85136837 572676615 /nfs/dbraw/zinc/67/66/15/572676615.db2.gz SDLVJNNHUIYOLC-SCZZXKLOSA-N 0 0 185.267 1.328 10 0 ADAERN Cc1onc(C=O)c1Cl 74343273 572676616 /nfs/dbraw/zinc/67/66/16/572676616.db2.gz QIJSJLBHWLMJCC-UHFFFAOYSA-N 0 0 145.545 1.449 10 0 ADAERN CSC(=O)[C@@H](NC(C)=O)C(C)C 238404998 572676646 /nfs/dbraw/zinc/67/66/46/572676646.db2.gz ZUUFQRYZMFQUDV-ZETCQYMHSA-N 0 0 189.280 1.037 10 0 ADAERN COC(=O)N[C@@H](CC1CC=CC1)OC 238399769 572676647 /nfs/dbraw/zinc/67/66/47/572676647.db2.gz GXKAUJSMIHYZPX-SECBINFHSA-N 0 0 199.250 1.671 10 0 ADAERN COc1nnc(CNC(C)C)s1 87698803 572676662 /nfs/dbraw/zinc/67/66/62/572676662.db2.gz ATHXPKSDAOCPRV-UHFFFAOYSA-N 0 0 187.268 1.045 10 0 ADAERN CSC(=O)[C@@H](CO)c1ccccc1 238404925 572676839 /nfs/dbraw/zinc/67/68/39/572676839.db2.gz ODTSNPBNZQBOPF-VIFPVBQESA-N 0 0 196.271 1.652 10 0 ADAERN CO[C@@H]1CCC[C@@H](CCCO)C1 238399862 572676721 /nfs/dbraw/zinc/67/67/21/572676721.db2.gz PNYHVXVQEZREIB-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN COC(=O)[C@H](C)NC1CC(C(C)C)C1 234535377 572676825 /nfs/dbraw/zinc/67/68/25/572676825.db2.gz HYIZYJOIIJLBIM-IDKOKCKLSA-N 0 0 199.294 1.572 10 0 ADAERN CC(C)[C@@H](C)C[C@H](C[NH3+])C(=O)[O-] 308091263 572676832 /nfs/dbraw/zinc/67/68/32/572676832.db2.gz TZYRYOFKDJQCRR-JGVFFNPUSA-N 0 0 173.256 1.328 10 0 ADAERN CN(C)Cc1cc(C=O)co1 74343174 572676885 /nfs/dbraw/zinc/67/68/85/572676885.db2.gz UKKLWKINXMHMDG-UHFFFAOYSA-N 0 0 153.181 1.154 10 0 ADAERN CO[C@H](C)Cc1nccc(=S)[nH]1 234783736 572677007 /nfs/dbraw/zinc/67/70/07/572677007.db2.gz OMQVWIAFUVVFFQ-ZCFIWIBFSA-N 0 0 184.264 1.343 10 0 ADAERN C[C@H](CO)CSCc1cnccn1 85139197 572677574 /nfs/dbraw/zinc/67/75/74/572677574.db2.gz QSWJDGNGWIUVPJ-MRVPVSSYSA-N 0 0 198.291 1.338 10 0 ADAERN O=Cc1nc2sccc2o1 74343205 572677088 /nfs/dbraw/zinc/67/70/88/572677088.db2.gz RRLRNFYNGJMOPI-UHFFFAOYSA-N 0 0 153.162 1.702 10 0 ADAERN CCc1ncnc(F)c1F 78377611 572677125 /nfs/dbraw/zinc/67/71/25/572677125.db2.gz SHWZMKWRONBHQB-UHFFFAOYSA-N 0 0 144.124 1.317 10 0 ADAERN CNCc1nnc(OC(C)C)s1 87698954 572677140 /nfs/dbraw/zinc/67/71/40/572677140.db2.gz JLFZOSQEENQSEQ-UHFFFAOYSA-N 0 0 187.268 1.045 10 0 ADAERN COC[C@@]1(C)CC(=O)N[C@H]1CC(C)C 85137266 572677143 /nfs/dbraw/zinc/67/71/43/572677143.db2.gz ZKXRMJFNDHGHAL-GXSJLCMTSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1nc(-c2sccc2N)n[nH]1 48630544 572678042 /nfs/dbraw/zinc/67/80/42/572678042.db2.gz CGYIWRMEKKLVPP-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN C/C=C/COc1nnc(CNC)s1 87698666 572677205 /nfs/dbraw/zinc/67/72/05/572677205.db2.gz XHXHYBSQIDCLQA-ONEGZZNKSA-N 0 0 199.279 1.212 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]1(C)CCOC 85137038 572677239 /nfs/dbraw/zinc/67/72/39/572677239.db2.gz KECXSASZFAEQTQ-WPRPVWTQSA-N 0 0 185.267 1.328 10 0 ADAERN Nc1ncccc1CC1CCOCC1 70318447 572677243 /nfs/dbraw/zinc/67/72/43/572677243.db2.gz XXQKHVPBSWTITI-UHFFFAOYSA-N 0 0 192.262 1.633 10 0 ADAERN CCC(=O)[C@H](C)SC[C@@H](C)CO 85139728 572678048 /nfs/dbraw/zinc/67/80/48/572678048.db2.gz GZSVYKWSXUFEFR-YUMQZZPRSA-N 0 0 190.308 1.716 10 0 ADAERN O=C(CCc1ccsc1)N1CC1 308091548 572677292 /nfs/dbraw/zinc/67/72/92/572677292.db2.gz TZYXRNFLBMJKDR-UHFFFAOYSA-N 0 0 181.260 1.523 10 0 ADAERN CC(C)OCC(=O)[C@@H]1CCCS1 87701532 572677295 /nfs/dbraw/zinc/67/72/95/572677295.db2.gz UZROQZJMJQAFGI-VIFPVBQESA-N 0 0 188.292 1.876 10 0 ADAERN CCCn1cncc1[C@H](O)C(F)F 87687219 572677302 /nfs/dbraw/zinc/67/73/02/572677302.db2.gz WGJQWDYIEINTCL-ZETCQYMHSA-N 0 0 190.193 1.592 10 0 ADAERN CCOC(=O)C=Cc1[nH]cnc1F 308091882 572677341 /nfs/dbraw/zinc/67/73/41/572677341.db2.gz UFRPOGLXEVARSH-ONEGZZNKSA-N 0 0 184.170 1.125 10 0 ADAERN CNCc1nnc(OC2CCC2)s1 87698685 572677363 /nfs/dbraw/zinc/67/73/63/572677363.db2.gz TVMVMFDGHVNENK-UHFFFAOYSA-N 0 0 199.279 1.189 10 0 ADAERN Cc1ncc(-c2csc(=O)[nH]2)cn1 72204689 572677414 /nfs/dbraw/zinc/67/74/14/572677414.db2.gz GFKZCSKBCBWSIF-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN CCCOCC(=O)[C@@H]1CCCS1 87701197 572677439 /nfs/dbraw/zinc/67/74/39/572677439.db2.gz NUJGHHYEVBECKW-VIFPVBQESA-N 0 0 188.292 1.878 10 0 ADAERN C[C@H]1CC[C@H](S(N)(=O)=O)[C@@H](C)C1 222387502 572677450 /nfs/dbraw/zinc/67/74/50/572677450.db2.gz PKCHDOGVSLFYDI-FXQIFTODSA-N 0 0 191.296 1.100 10 0 ADAERN COC(C[C@](C)(O)C(F)F)OC 87687208 572677480 /nfs/dbraw/zinc/67/74/80/572677480.db2.gz WPYFJBAADFBHKM-ZETCQYMHSA-N 0 0 184.182 1.012 10 0 ADAERN CN(C)Cc1cocc1C=O 74343175 572677484 /nfs/dbraw/zinc/67/74/84/572677484.db2.gz IUBYZWRTELCVLK-UHFFFAOYSA-N 0 0 153.181 1.154 10 0 ADAERN CC[C@@H](C)OCC1(CO)CC1 307866500 572677539 /nfs/dbraw/zinc/67/75/39/572677539.db2.gz JOULKSSPWGPHRR-MRVPVSSYSA-N 0 0 158.241 1.574 10 0 ADAERN C/C(=C/Cl)C[NH2+][C@H](C)C(=O)[O-] 307868808 572677583 /nfs/dbraw/zinc/67/75/83/572677583.db2.gz IBWAGURHGYIWBS-CWVDAHFDSA-N 0 0 177.631 1.192 10 0 ADAERN O=C(Cc1ccsc1)[C@@H]1CCOC1 48627341 572677604 /nfs/dbraw/zinc/67/76/04/572677604.db2.gz UFBXUKXWYQCFAR-SECBINFHSA-N 0 0 196.271 1.896 10 0 ADAERN Cc1nnc([C@H]([NH3+])C2CCCCC2)[nH]1 48630619 572677734 /nfs/dbraw/zinc/67/77/34/572677734.db2.gz JZSMAHHMTOTYSA-SECBINFHSA-N 0 0 194.282 1.693 10 0 ADAERN CCN[C@H](c1cnn(C)c1)C(F)F 87687598 572677659 /nfs/dbraw/zinc/67/76/59/572677659.db2.gz IXFJTPSBRMZXAX-SSDOTTSWSA-N 0 0 189.209 1.336 10 0 ADAERN C[C@@H](CO)CSCc1cnccn1 85139196 572677692 /nfs/dbraw/zinc/67/76/92/572677692.db2.gz QSWJDGNGWIUVPJ-QMMMGPOBSA-N 0 0 198.291 1.338 10 0 ADAERN CC(=O)CCCSC[C@@H](C)CO 85139691 572677715 /nfs/dbraw/zinc/67/77/15/572677715.db2.gz OMEUCAAEGDAIHH-QMMMGPOBSA-N 0 0 190.308 1.717 10 0 ADAERN C[C@@H](CO)CSc1ccncc1N 85137821 572677723 /nfs/dbraw/zinc/67/77/23/572677723.db2.gz KVGISLRIIPUSBY-ZETCQYMHSA-N 0 0 198.291 1.384 10 0 ADAERN CO[C@H](C)CNc1ccc(N)c(N)c1 234787653 572677774 /nfs/dbraw/zinc/67/77/74/572677774.db2.gz KDWWKWNJTHGURO-SSDOTTSWSA-N 0 0 195.266 1.298 10 0 ADAERN O=C(Cc1ccsc1)[C@H]1CCOC1 48627344 572677794 /nfs/dbraw/zinc/67/77/94/572677794.db2.gz UFBXUKXWYQCFAR-VIFPVBQESA-N 0 0 196.271 1.896 10 0 ADAERN C/C=C\[C@@H]1CC[C@@H](CO)CO1 307866371 572677809 /nfs/dbraw/zinc/67/78/09/572677809.db2.gz GFQXLQXJJURVDV-NFLJOPSSSA-N 0 0 156.225 1.350 10 0 ADAERN COC1CC(O)(C2CCCC2)C1 234789746 572677819 /nfs/dbraw/zinc/67/78/19/572677819.db2.gz WAVPFBMCKZZGDZ-UHFFFAOYSA-N 0 0 170.252 1.717 10 0 ADAERN CCc1nc(C2CCC2)n[nH]1 48630755 572677837 /nfs/dbraw/zinc/67/78/37/572677837.db2.gz VSEZJBXILGUDAI-UHFFFAOYSA-N 0 0 151.213 1.635 10 0 ADAERN C[C@H](CO)CSc1ccc(N)cn1 85137722 572677867 /nfs/dbraw/zinc/67/78/67/572677867.db2.gz YWMCGQBYTSBBMA-SSDOTTSWSA-N 0 0 198.291 1.384 10 0 ADAERN C/C=C\[C@@H]1CC[C@H](CO)CO1 307866364 572677870 /nfs/dbraw/zinc/67/78/70/572677870.db2.gz GFQXLQXJJURVDV-BNEREYBLSA-N 0 0 156.225 1.350 10 0 ADAERN CCC(=O)[C@H](C)SC[C@H](C)CO 85139730 572677872 /nfs/dbraw/zinc/67/78/72/572677872.db2.gz GZSVYKWSXUFEFR-SFYZADRCSA-N 0 0 190.308 1.716 10 0 ADAERN C[C@H]([NH3+])CCCCCC(=O)[O-] 117409264 572677874 /nfs/dbraw/zinc/67/78/74/572677874.db2.gz KMEQXYJELYYJGF-ZETCQYMHSA-N 0 0 159.229 1.369 10 0 ADAERN C[C@H](CO)CSc1ncccc1N 85137724 572677879 /nfs/dbraw/zinc/67/78/79/572677879.db2.gz AVFKJQYDCYWDJY-SSDOTTSWSA-N 0 0 198.291 1.384 10 0 ADAERN Cc1nc(-c2c(N)cccc2F)n[nH]1 48630491 572677904 /nfs/dbraw/zinc/67/79/04/572677904.db2.gz JDLGSLZBLUKKJF-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CCCC[C@H](O)[C@@H]1C[C@@H]1OC 307868986 572677923 /nfs/dbraw/zinc/67/79/23/572677923.db2.gz IHUPITOIFIOMLM-CIUDSAMLSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1nc(-c2cc(N)ccc2F)n[nH]1 48630607 572677944 /nfs/dbraw/zinc/67/79/44/572677944.db2.gz ZWTXJRFTAQYLMN-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CCCC[C@H](O)[C@@H]1C[C@H]1OC 307868996 572677961 /nfs/dbraw/zinc/67/79/61/572677961.db2.gz IHUPITOIFIOMLM-XHNCKOQMSA-N 0 0 158.241 1.572 10 0 ADAERN COC(C[C@@](C)(O)C(F)F)OC 87687207 572677979 /nfs/dbraw/zinc/67/79/79/572677979.db2.gz WPYFJBAADFBHKM-SSDOTTSWSA-N 0 0 184.182 1.012 10 0 ADAERN O[C@H](c1cccs1)[C@@H]1CCOC1 48629057 572677980 /nfs/dbraw/zinc/67/79/80/572677980.db2.gz IJUQQBGLZVHTRD-APPZFPTMSA-N 0 0 184.260 1.818 10 0 ADAERN Nc1cn(CCCC2CC2)nn1 405961478 572677990 /nfs/dbraw/zinc/67/79/90/572677990.db2.gz OYMOPTDZCPNUJR-UHFFFAOYSA-N 0 0 166.228 1.051 10 0 ADAERN O=C(Cc1ccccn1)[C@@H]1CCOC1 48628061 572677999 /nfs/dbraw/zinc/67/79/99/572677999.db2.gz QVZANAZQKQVGGA-SECBINFHSA-N 0 0 191.230 1.230 10 0 ADAERN CC(C)OCC(=O)[C@H]1CCCS1 87701534 572678002 /nfs/dbraw/zinc/67/80/02/572678002.db2.gz UZROQZJMJQAFGI-SECBINFHSA-N 0 0 188.292 1.876 10 0 ADAERN CCc1nnc(-c2occc2C)[nH]1 48630679 572678017 /nfs/dbraw/zinc/67/80/17/572678017.db2.gz ZRSLRLRFWYCFNG-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN COC(=O)C1=C(O)CC[C@@H]2CCC[C@@H]12 250367891 572678843 /nfs/dbraw/zinc/67/88/43/572678843.db2.gz LOQMAQXBBNXWHV-XKSSXDPKSA-N 0 0 196.246 1.555 10 0 ADAERN CCc1nnc(Cc2ccncc2)[nH]1 48630752 572678272 /nfs/dbraw/zinc/67/82/72/572678272.db2.gz JLAFEPIBXCELDN-UHFFFAOYSA-N 0 0 188.234 1.353 10 0 ADAERN Cc1ncc(-c2c[nH]c(=O)s2)cn1 72204697 572678290 /nfs/dbraw/zinc/67/82/90/572678290.db2.gz JIOJFUFHTRRCID-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN C[C@H](CO)CSc1ccccc1N 85137720 572678292 /nfs/dbraw/zinc/67/82/92/572678292.db2.gz WIGRBAZCYIKAGW-MRVPVSSYSA-N 0 0 197.303 1.989 10 0 ADAERN CC[C@@H](C)Oc1nnc(CN)s1 87699217 572678302 /nfs/dbraw/zinc/67/83/02/572678302.db2.gz HSWYUICSLNLUEZ-RXMQYKEDSA-N 0 0 187.268 1.174 10 0 ADAERN CC(=O)C[C@@H](C)SC[C@@H](C)CO 85139694 572678339 /nfs/dbraw/zinc/67/83/39/572678339.db2.gz CEVNRLLKECQXNC-IONNQARKSA-N 0 0 190.308 1.716 10 0 ADAERN C[C@@H](O)[C@@H](C)C(=O)OC1CCCC1 238405925 572678348 /nfs/dbraw/zinc/67/83/48/572678348.db2.gz SISJPJCBPNBZML-HTQZYQBOSA-N 0 0 186.251 1.489 10 0 ADAERN C[C@@H](CO)CSc1ccc(N)cn1 85137721 572678357 /nfs/dbraw/zinc/67/83/57/572678357.db2.gz YWMCGQBYTSBBMA-ZETCQYMHSA-N 0 0 198.291 1.384 10 0 ADAERN CCCC[C@@H]([NH3+])CCCC(=O)[O-] 117403894 572678369 /nfs/dbraw/zinc/67/83/69/572678369.db2.gz ZFQSXIBTVCOPKM-MRVPVSSYSA-N 0 0 173.256 1.759 10 0 ADAERN C[C@@H](CO)CSc1ccccc1N 85137719 572678373 /nfs/dbraw/zinc/67/83/73/572678373.db2.gz WIGRBAZCYIKAGW-QMMMGPOBSA-N 0 0 197.303 1.989 10 0 ADAERN C/C=C\CCNC(=O)[C@@H]1CCCS1 308094209 572678914 /nfs/dbraw/zinc/67/89/14/572678914.db2.gz XKGADAYUTGGBGG-XADBCAIWSA-N 0 0 199.319 1.964 10 0 ADAERN CCN[C@H](c1cccnc1)C(F)F 87687390 572678379 /nfs/dbraw/zinc/67/83/79/572678379.db2.gz CJMNNEXDWDBMJV-MRVPVSSYSA-N 0 0 186.205 1.997 10 0 ADAERN CCCC[C@H](O)[C@H]1C[C@H]1OC 307868990 572678383 /nfs/dbraw/zinc/67/83/83/572678383.db2.gz IHUPITOIFIOMLM-HRDYMLBCSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H](CO)CSc1cc(N)ccn1 85137761 572678400 /nfs/dbraw/zinc/67/84/00/572678400.db2.gz PVUADAMYMDDOQG-ZETCQYMHSA-N 0 0 198.291 1.384 10 0 ADAERN CCOC(=O)[C@@H]1CCO[C@@H]1C1CC1 308090961 572678402 /nfs/dbraw/zinc/67/84/02/572678402.db2.gz MQFPZFJVWKSUFQ-RKDXNWHRSA-N 0 0 184.235 1.365 10 0 ADAERN CCCC[C@H](O)[C@H]1C[C@@H]1OC 307868993 572678403 /nfs/dbraw/zinc/67/84/03/572678403.db2.gz IHUPITOIFIOMLM-VGMNWLOBSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H](CO)CSCC(=O)C1CC1 85139699 572678410 /nfs/dbraw/zinc/67/84/10/572678410.db2.gz YTCIHFGKAOPAHL-ZETCQYMHSA-N 0 0 188.292 1.327 10 0 ADAERN C/C=C\[C@](C)(O)CC 209457800 572678419 /nfs/dbraw/zinc/67/84/19/572678419.db2.gz CMOQZBDUMWNJDZ-FXXDRWHHSA-N 0 0 114.188 1.724 10 0 ADAERN COC1CC(Nn2cccc2)C1 234788142 572678420 /nfs/dbraw/zinc/67/84/20/572678420.db2.gz SNDFLZYEWXJJQB-UHFFFAOYSA-N 0 0 166.224 1.209 10 0 ADAERN CCCC[C@@H](C)OC(=O)CO 307868816 572678447 /nfs/dbraw/zinc/67/84/47/572678447.db2.gz KQPXTNYLQHIUST-SSDOTTSWSA-N 0 0 160.213 1.101 10 0 ADAERN O=Cc1nc2cocc2s1 74343208 572678455 /nfs/dbraw/zinc/67/84/55/572678455.db2.gz XBHVVHSTIDMBGC-UHFFFAOYSA-N 0 0 153.162 1.702 10 0 ADAERN C[C@H](CO)CS[C@@H]1CCC(=O)C1 85139742 572678487 /nfs/dbraw/zinc/67/84/87/572678487.db2.gz QNSONGACCYVULK-VXNVDRBHSA-N 0 0 188.292 1.470 10 0 ADAERN C=C/C=C\CC[NH2+]C[C@@H](C)C(=O)[O-] 713455414 572678504 /nfs/dbraw/zinc/67/85/04/572678504.db2.gz KWCSQKOWUDOSAG-XRVBUDJMSA-N 0 0 183.251 1.429 10 0 ADAERN CC(C)(C)OC#N 38880020 572678535 /nfs/dbraw/zinc/67/85/35/572678535.db2.gz DYDSKSOVXWWYQZ-UHFFFAOYSA-N 0 0 99.133 1.283 10 0 ADAERN CCCCOc1nnc(CN)s1 87699103 572678537 /nfs/dbraw/zinc/67/85/37/572678537.db2.gz RQGQOQZHTPCWNV-UHFFFAOYSA-N 0 0 187.268 1.176 10 0 ADAERN CCCn1cncc1[C@H](N)C(F)F 87687945 572678545 /nfs/dbraw/zinc/67/85/45/572678545.db2.gz ISBGLSNTHJBZHV-ZETCQYMHSA-N 0 0 189.209 1.558 10 0 ADAERN CCn1cc[nH+]c1NC[C@@H](C)C(=O)[O-] 54334407 572678552 /nfs/dbraw/zinc/67/85/52/572678552.db2.gz DYPFZZBZPSUPBY-SSDOTTSWSA-N 0 0 197.238 1.036 10 0 ADAERN O=C(Cc1ccccn1)[C@H]1CCOC1 48628063 572678626 /nfs/dbraw/zinc/67/86/26/572678626.db2.gz QVZANAZQKQVGGA-VIFPVBQESA-N 0 0 191.230 1.230 10 0 ADAERN CCc1nc([C@@H](C)CC)n[nH]1 48630680 572678634 /nfs/dbraw/zinc/67/86/34/572678634.db2.gz MMLDVBJLWFDARB-LURJTMIESA-N 0 0 153.229 1.881 10 0 ADAERN C[C@@H]1CCC[C@H](n2nncc2N)C1 713453665 572678646 /nfs/dbraw/zinc/67/86/46/572678646.db2.gz YBEAHVIEUDBWEK-SFYZADRCSA-N 0 0 180.255 1.612 10 0 ADAERN C[C@H]1CCC[C@H](n2nncc2N)C1 713453668 572678693 /nfs/dbraw/zinc/67/86/93/572678693.db2.gz YBEAHVIEUDBWEK-YUMQZZPRSA-N 0 0 180.255 1.612 10 0 ADAERN C[C@@H](CO)CSc1cccc(N)c1 85137717 572678770 /nfs/dbraw/zinc/67/87/70/572678770.db2.gz FFOZUCBAWMLATI-QMMMGPOBSA-N 0 0 197.303 1.989 10 0 ADAERN COC1CC(O)(C2=CCCCO2)C1 234789432 572678801 /nfs/dbraw/zinc/67/88/01/572678801.db2.gz QYWRZODUUYTYKH-UHFFFAOYSA-N 0 0 184.235 1.221 10 0 ADAERN [NH3+][C@@H](/C=C\C(=O)[O-])c1ccc(F)cc1 714527991 572678821 /nfs/dbraw/zinc/67/88/21/572678821.db2.gz QQHOSRVMEMNWHL-UDIARPCQSA-N 0 0 195.193 1.466 10 0 ADAERN CCCn1cncc1[C@@H](O)C(F)F 87687220 572678834 /nfs/dbraw/zinc/67/88/34/572678834.db2.gz WGJQWDYIEINTCL-SSDOTTSWSA-N 0 0 190.193 1.592 10 0 ADAERN CCN[C@@H](c1cnn(C)c1)C(F)F 87687597 572678855 /nfs/dbraw/zinc/67/88/55/572678855.db2.gz IXFJTPSBRMZXAX-ZETCQYMHSA-N 0 0 189.209 1.336 10 0 ADAERN CC(=O)CCSC[C@H](C)CO 85139656 572678873 /nfs/dbraw/zinc/67/88/73/572678873.db2.gz JFJUZLSWKIOMOH-SSDOTTSWSA-N 0 0 176.281 1.327 10 0 ADAERN COC(C)(C)C[C@](C)(O)C(F)F 87687816 572678897 /nfs/dbraw/zinc/67/88/97/572678897.db2.gz MTXKWAWIXJHLEW-QMMMGPOBSA-N 0 0 182.210 1.818 10 0 ADAERN CCc1onc(Cl)c1N 74343269 572678899 /nfs/dbraw/zinc/67/88/99/572678899.db2.gz KXDKPZLLIYTPNZ-UHFFFAOYSA-N 0 0 146.577 1.473 10 0 ADAERN C/C=C\CCNC(=O)[C@H]1CCCS1 308094208 572678908 /nfs/dbraw/zinc/67/89/08/572678908.db2.gz XKGADAYUTGGBGG-PKRMOACSSA-N 0 0 199.319 1.964 10 0 ADAERN O[C@H](c1ccc(F)cc1)[C@H]1CCOC1 48628881 572678910 /nfs/dbraw/zinc/67/89/10/572678910.db2.gz HPNOYSOTIGUBCP-GXSJLCMTSA-N 0 0 196.221 1.896 10 0 ADAERN CC(C)COc1nnc(CN)s1 87698901 572679096 /nfs/dbraw/zinc/67/90/96/572679096.db2.gz KBVDBGVALWHBGV-UHFFFAOYSA-N 0 0 187.268 1.032 10 0 ADAERN Nc1cnnn1C[C@H]1CC=CCC1 713454589 572681751 /nfs/dbraw/zinc/68/17/51/572681751.db2.gz QLTIHIGHHBPVRF-QMMMGPOBSA-N 0 0 178.239 1.217 10 0 ADAERN COC1CC(Nn2c(C)ccc2C)C1 234788085 572679263 /nfs/dbraw/zinc/67/92/63/572679263.db2.gz PDALRVIAKXYAJE-UHFFFAOYSA-N 0 0 194.278 1.826 10 0 ADAERN O=C([O-])CCCC[NH2+][C@@H]1CC=CCC1 236418330 572679287 /nfs/dbraw/zinc/67/92/87/572679287.db2.gz DPMGTYDVOZLIFM-SNVBAGLBSA-N 0 0 197.278 1.940 10 0 ADAERN CC(=O)CCc1nc(C)co1 74343173 572679292 /nfs/dbraw/zinc/67/92/92/572679292.db2.gz OFNFGKFBJWNQAK-UHFFFAOYSA-N 0 0 153.181 1.505 10 0 ADAERN O=c1[nH]cc(-c2ccccn2)s1 72204708 572679302 /nfs/dbraw/zinc/67/93/02/572679302.db2.gz PYPNRIJQDNBTMX-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN Cc1nnc([C@@H]([NH3+])C2CCCCC2)[nH]1 48630620 572679308 /nfs/dbraw/zinc/67/93/08/572679308.db2.gz JZSMAHHMTOTYSA-VIFPVBQESA-N 0 0 194.282 1.693 10 0 ADAERN Cc1ncc(-c2cnc(N)s2)cn1 72204644 572679335 /nfs/dbraw/zinc/67/93/35/572679335.db2.gz JKHJZPXNRIFSHA-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCc1nc(-c2ccc(C)nc2)n[nH]1 48630688 572679383 /nfs/dbraw/zinc/67/93/83/572679383.db2.gz CBTCBXVCUHWDFH-UHFFFAOYSA-N 0 0 188.234 1.738 10 0 ADAERN CCCn1cncc1[C@@H](N)C(F)F 87687946 572679396 /nfs/dbraw/zinc/67/93/96/572679396.db2.gz ISBGLSNTHJBZHV-SSDOTTSWSA-N 0 0 189.209 1.558 10 0 ADAERN O[C@@H](c1ccccc1)[C@H]1CCOC1 48628895 572679399 /nfs/dbraw/zinc/67/93/99/572679399.db2.gz IMSBEGCTLFLRRY-QWRGUYRKSA-N 0 0 178.231 1.757 10 0 ADAERN CC(=O)NCCSCC(F)F 307866429 572679403 /nfs/dbraw/zinc/67/94/03/572679403.db2.gz JKWFSRUHPISZKL-UHFFFAOYSA-N 0 0 183.223 1.121 10 0 ADAERN CO[C@H]1CCC[C@@](O)(C(C)C)C1 234789934 572679413 /nfs/dbraw/zinc/67/94/13/572679413.db2.gz BPUJCWULSIDWIW-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1nnc(C[NH2+]C2CCCC2)[nH]1 48630602 572679427 /nfs/dbraw/zinc/67/94/27/572679427.db2.gz FCXLNDDDEPMGBK-UHFFFAOYSA-N 0 0 180.255 1.145 10 0 ADAERN O[C@H](c1cccs1)[C@H]1CCOC1 48629061 572679461 /nfs/dbraw/zinc/67/94/61/572679461.db2.gz IJUQQBGLZVHTRD-CBAPKCEASA-N 0 0 184.260 1.818 10 0 ADAERN Cc1nc(-c2cccc(C)c2N)n[nH]1 48630502 572679474 /nfs/dbraw/zinc/67/94/74/572679474.db2.gz GZRXHGRHTWHSEW-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CCc1nc([C@@H]2C[C@H]2C)n[nH]1 48630747 572679481 /nfs/dbraw/zinc/67/94/81/572679481.db2.gz AGTSKKFBTINMDQ-PHDIDXHHSA-N 0 0 151.213 1.491 10 0 ADAERN C[C@H](CO)CSc1ccncn1 85138261 572679492 /nfs/dbraw/zinc/67/94/92/572679492.db2.gz WQBHXFNHLFJOFD-SSDOTTSWSA-N 0 0 184.264 1.197 10 0 ADAERN O[C@@H](c1ccc(F)cc1)[C@@H]1CCOC1 48628875 572679515 /nfs/dbraw/zinc/67/95/15/572679515.db2.gz HPNOYSOTIGUBCP-KOLCDFICSA-N 0 0 196.221 1.896 10 0 ADAERN C[C@H](O)CCC[C@H](C)[C@H](C)O 307868827 572679516 /nfs/dbraw/zinc/67/95/16/572679516.db2.gz KRFLHSRWAKWOIM-CIUDSAMLSA-N 0 0 160.257 1.554 10 0 ADAERN C(=Cc1cnsn1)c1c[nH]cn1 307866160 572679525 /nfs/dbraw/zinc/67/95/25/572679525.db2.gz AXLSSWVPGIPMBH-UPHRSURJSA-N 0 0 178.220 1.432 10 0 ADAERN C/C=C\[C@H](C)[C@H](O)C[C@@H](C)O 307865448 572679560 /nfs/dbraw/zinc/67/95/60/572679560.db2.gz FWCAHLUSEJOCLA-IOHYOIAASA-N 0 0 158.241 1.330 10 0 ADAERN CCc1nc(C2CC2)n[nH]1 48630667 572679628 /nfs/dbraw/zinc/67/96/28/572679628.db2.gz UCNYBUWUQPTVTR-UHFFFAOYSA-N 0 0 137.186 1.245 10 0 ADAERN C/C=C(\NC(C)=O)SC(C)=O 307869232 572679636 /nfs/dbraw/zinc/67/96/36/572679636.db2.gz SXBIWAMKIHWSPB-QPJJXVBHSA-N 0 0 173.237 1.264 10 0 ADAERN CCOC(=O)[C@H]1CCO[C@@H]1C1CC1 308090959 572679646 /nfs/dbraw/zinc/67/96/46/572679646.db2.gz MQFPZFJVWKSUFQ-DTWKUNHWSA-N 0 0 184.235 1.365 10 0 ADAERN O=C(OCC(F)(F)F)C1CCC1 308093439 572679652 /nfs/dbraw/zinc/67/96/52/572679652.db2.gz VUJGPZCATNKYLC-UHFFFAOYSA-N 0 0 182.141 1.892 10 0 ADAERN CCC(=O)[C@@H](C)SC[C@@H](C)CO 85139727 572679657 /nfs/dbraw/zinc/67/96/57/572679657.db2.gz GZSVYKWSXUFEFR-JGVFFNPUSA-N 0 0 190.308 1.716 10 0 ADAERN C[C@@H]1CCC[C@@H](n2nncc2N)C1 713453661 572679677 /nfs/dbraw/zinc/67/96/77/572679677.db2.gz YBEAHVIEUDBWEK-HTQZYQBOSA-N 0 0 180.255 1.612 10 0 ADAERN Cc1nnc([C@H]([NH3+])CC(C)C)[nH]1 48630550 572679684 /nfs/dbraw/zinc/67/96/84/572679684.db2.gz OYUMTCGDMFOCHI-SSDOTTSWSA-N 0 0 168.244 1.159 10 0 ADAERN O[C@@H](c1ccc(F)cc1)[C@H]1CCOC1 48628879 572679744 /nfs/dbraw/zinc/67/97/44/572679744.db2.gz HPNOYSOTIGUBCP-ONGXEEELSA-N 0 0 196.221 1.896 10 0 ADAERN CCc1nnc(-c2ccc(C)o2)[nH]1 48630773 572679800 /nfs/dbraw/zinc/67/98/00/572679800.db2.gz YKWAJQMFQFOOKN-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN CC[C@H](C)OCC1(CO)CC1 307866503 572679804 /nfs/dbraw/zinc/67/98/04/572679804.db2.gz JOULKSSPWGPHRR-QMMMGPOBSA-N 0 0 158.241 1.574 10 0 ADAERN CCCN[C@@]1(C(F)F)CCOC1 87689228 572679805 /nfs/dbraw/zinc/67/98/05/572679805.db2.gz OTPKKAVDPGGJEM-QMMMGPOBSA-N 0 0 179.210 1.410 10 0 ADAERN Cc1nnc([C@@H]([NH3+])CC(C)C)[nH]1 48630551 572679823 /nfs/dbraw/zinc/67/98/23/572679823.db2.gz OYUMTCGDMFOCHI-ZETCQYMHSA-N 0 0 168.244 1.159 10 0 ADAERN CC(C)SCC(=O)OC1CC1 307868792 572679831 /nfs/dbraw/zinc/67/98/31/572679831.db2.gz KPDVRTXSBOMTSN-UHFFFAOYSA-N 0 0 174.265 1.834 10 0 ADAERN Cc1ncc(N)cc1C(=O)OC(C)C 48671203 572682903 /nfs/dbraw/zinc/68/29/03/572682903.db2.gz GFPKQFKGBSURIH-UHFFFAOYSA-N 0 0 194.234 1.537 10 0 ADAERN OC1(CC(F)(F)F)CC1 54346756 572679864 /nfs/dbraw/zinc/67/98/64/572679864.db2.gz KRVMZDAAXUIYJP-UHFFFAOYSA-N 0 0 140.104 1.464 10 0 ADAERN CCc1nc(-c2sccc2N)n[nH]1 48630920 572679880 /nfs/dbraw/zinc/67/98/80/572679880.db2.gz AAVQQWRIDZTECQ-UHFFFAOYSA-N 0 0 194.263 1.678 10 0 ADAERN CC(C)OCC[C@@H](O)C1CCC1 307866532 572679888 /nfs/dbraw/zinc/67/98/88/572679888.db2.gz VLQQTFYBTZSYQT-SNVBAGLBSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)[C@@H](C)C(=O)OCC(C)(C)C 238405946 572679891 /nfs/dbraw/zinc/67/98/91/572679891.db2.gz RAJGXVXTNWTMNF-HTQZYQBOSA-N 0 0 188.267 1.593 10 0 ADAERN C[C@H](CO)CS[C@H]1CCCC1=O 85139646 572679906 /nfs/dbraw/zinc/67/99/06/572679906.db2.gz OUMSZYZNOYLOTQ-APPZFPTMSA-N 0 0 188.292 1.470 10 0 ADAERN C[C@@H](CO)CSc1ncccc1N 85137723 572679937 /nfs/dbraw/zinc/67/99/37/572679937.db2.gz AVFKJQYDCYWDJY-ZETCQYMHSA-N 0 0 198.291 1.384 10 0 ADAERN C/C=C\[C@H](C)[C@H](O)C[C@H](C)O 307865450 572679945 /nfs/dbraw/zinc/67/99/45/572679945.db2.gz FWCAHLUSEJOCLA-LNNODCDTSA-N 0 0 158.241 1.330 10 0 ADAERN CCC(=O)CSC[C@@H](C)CO 85139725 572679962 /nfs/dbraw/zinc/67/99/62/572679962.db2.gz BQXOZOSXNKALHS-ZETCQYMHSA-N 0 0 176.281 1.327 10 0 ADAERN CC(=O)CCCSC[C@H](C)CO 85139692 572679980 /nfs/dbraw/zinc/67/99/80/572679980.db2.gz OMEUCAAEGDAIHH-MRVPVSSYSA-N 0 0 190.308 1.717 10 0 ADAERN COC1CC(O)(CC2CC2)C1 234790058 572679981 /nfs/dbraw/zinc/67/99/81/572679981.db2.gz NROKPGZCJGJZIJ-UHFFFAOYSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)CCC1(O)CC1 54346358 572679998 /nfs/dbraw/zinc/67/99/98/572679998.db2.gz ZEPSUAFMMKHQJW-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN C=C/C=C/CC[NH2+]C/C=C(\C)C(=O)[O-] 713455036 572680013 /nfs/dbraw/zinc/68/00/13/572680013.db2.gz FJRRYZKCXHDGFL-YIORLJKJSA-N 0 0 195.262 1.739 10 0 ADAERN O[C@H](c1ccc(F)cc1)[C@@H]1CCOC1 48628877 572680020 /nfs/dbraw/zinc/68/00/20/572680020.db2.gz HPNOYSOTIGUBCP-MWLCHTKSSA-N 0 0 196.221 1.896 10 0 ADAERN O=C(Cc1cccs1)[C@@H]1CCOC1 48627377 572680039 /nfs/dbraw/zinc/68/00/39/572680039.db2.gz ADMKKCACUULHNQ-MRVPVSSYSA-N 0 0 196.271 1.896 10 0 ADAERN C=C/C=C\O[C@@H](C)C[C@H](C)O 307869039 572680041 /nfs/dbraw/zinc/68/00/41/572680041.db2.gz IKIWPOCEACGLOD-CHVDZCGESA-N 0 0 156.225 1.862 10 0 ADAERN CN[C@](COC)(C(F)F)C1CC1 87688683 572682310 /nfs/dbraw/zinc/68/23/10/572682310.db2.gz ATBOYKNHRWRFGJ-QMMMGPOBSA-N 0 0 179.210 1.266 10 0 ADAERN CCc1nc(-c2cccc(C)n2)n[nH]1 48630685 572680061 /nfs/dbraw/zinc/68/00/61/572680061.db2.gz XDTISRXDSZZNGO-UHFFFAOYSA-N 0 0 188.234 1.738 10 0 ADAERN CC(=O)CCSC[C@@H](C)CO 85139655 572680121 /nfs/dbraw/zinc/68/01/21/572680121.db2.gz JFJUZLSWKIOMOH-ZETCQYMHSA-N 0 0 176.281 1.327 10 0 ADAERN OC1(c2ccoc2)CC1 54346751 572680130 /nfs/dbraw/zinc/68/01/30/572680130.db2.gz XJTKEHLYWMCNAJ-UHFFFAOYSA-N 0 0 124.139 1.261 10 0 ADAERN CCN[C@](C)(COC)C(F)F 87689170 572680134 /nfs/dbraw/zinc/68/01/34/572680134.db2.gz LPHHGLRJWJEJMF-SSDOTTSWSA-N 0 0 167.199 1.266 10 0 ADAERN Nc1cnn(CCCC2CC2)c1 405963716 572680143 /nfs/dbraw/zinc/68/01/43/572680143.db2.gz BXAYAWZHLPQHOL-UHFFFAOYSA-N 0 0 165.240 1.656 10 0 ADAERN O[C@@H](c1ccccc1)[C@@H]1CCOC1 48628891 572680154 /nfs/dbraw/zinc/68/01/54/572680154.db2.gz IMSBEGCTLFLRRY-MNOVXSKESA-N 0 0 178.231 1.757 10 0 ADAERN Cc1ccc(C2(O)CC2)o1 54346361 572680201 /nfs/dbraw/zinc/68/02/01/572680201.db2.gz SCAWHDSADBEQTP-UHFFFAOYSA-N 0 0 138.166 1.569 10 0 ADAERN CCc1nc([C@H]2C[C@H]2C)n[nH]1 48630748 572680219 /nfs/dbraw/zinc/68/02/19/572680219.db2.gz AGTSKKFBTINMDQ-RITPCOANSA-N 0 0 151.213 1.491 10 0 ADAERN c1ccc2c(c1)CCN[C@@H]2c1cc[nH]n1 83694139 572680256 /nfs/dbraw/zinc/68/02/56/572680256.db2.gz SJXFNAAMLBSVKE-LBPRGKRZSA-N 0 0 199.257 1.645 10 0 ADAERN C[C@H](CO)CS[C@@H]1CCC[C@@H]1O 85139440 572680257 /nfs/dbraw/zinc/68/02/57/572680257.db2.gz MOORGQXJROGYGP-HRDYMLBCSA-N 0 0 190.308 1.261 10 0 ADAERN C[C@H]1CCN(c2cc(Cl)ncn2)C1 48631322 572680261 /nfs/dbraw/zinc/68/02/61/572680261.db2.gz KVBOVTJCSIXQIT-ZETCQYMHSA-N 0 0 197.669 1.976 10 0 ADAERN C[C@H](CO)CS[C@H]1CCC[C@@H]1O 85139442 572680288 /nfs/dbraw/zinc/68/02/88/572680288.db2.gz MOORGQXJROGYGP-VGMNWLOBSA-N 0 0 190.308 1.261 10 0 ADAERN C[C@@H]1CCN(c2cc(Cl)ncn2)C1 48631321 572680292 /nfs/dbraw/zinc/68/02/92/572680292.db2.gz KVBOVTJCSIXQIT-SSDOTTSWSA-N 0 0 197.669 1.976 10 0 ADAERN OC1(c2ccc3c(c2)CCO3)CC1 54346486 572680232 /nfs/dbraw/zinc/68/02/32/572680232.db2.gz DRVPGZIYVCXAIQ-UHFFFAOYSA-N 0 0 176.215 1.603 10 0 ADAERN CN(c1cc(Cl)ncn1)C1CC1 48631195 572680375 /nfs/dbraw/zinc/68/03/75/572680375.db2.gz VKBWCFWNFMWZLB-UHFFFAOYSA-N 0 0 183.642 1.729 10 0 ADAERN O[C@H](c1ccccc1)[C@@H]1CCOC1 48628893 572680445 /nfs/dbraw/zinc/68/04/45/572680445.db2.gz IMSBEGCTLFLRRY-GHMZBOCLSA-N 0 0 178.231 1.757 10 0 ADAERN COc1ccccc1C1(O)CC1 54346126 572680450 /nfs/dbraw/zinc/68/04/50/572680450.db2.gz JADBDSORVKPIRA-UHFFFAOYSA-N 0 0 164.204 1.677 10 0 ADAERN CCCC(=O)CSC[C@H](C)CO 85139748 572680455 /nfs/dbraw/zinc/68/04/55/572680455.db2.gz BDJPNZLSVPJRNV-MRVPVSSYSA-N 0 0 190.308 1.717 10 0 ADAERN c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)c[nH]1 87689680 572680459 /nfs/dbraw/zinc/68/04/59/572680459.db2.gz RLHGTNFOMMPBKX-VWYCJHECSA-N 0 0 192.262 1.424 10 0 ADAERN CCN[C@](CC)(COC)C(F)F 87688912 572680471 /nfs/dbraw/zinc/68/04/71/572680471.db2.gz INBBHFUFYTWJGD-MRVPVSSYSA-N 0 0 181.226 1.656 10 0 ADAERN CC(=O)C[C@H](C)SC[C@H](C)CO 85139695 572680574 /nfs/dbraw/zinc/68/05/74/572680574.db2.gz CEVNRLLKECQXNC-APPZFPTMSA-N 0 0 190.308 1.716 10 0 ADAERN c1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)co1 87689776 572680496 /nfs/dbraw/zinc/68/04/96/572680496.db2.gz OTDASKZVTOWRQZ-VWYCJHECSA-N 0 0 193.246 1.689 10 0 ADAERN CCCC(=O)CSC[C@@H](C)CO 85139747 572680544 /nfs/dbraw/zinc/68/05/44/572680544.db2.gz BDJPNZLSVPJRNV-QMMMGPOBSA-N 0 0 190.308 1.717 10 0 ADAERN CC(=O)CCCS[C@@H](C)CCO 85146459 572683783 /nfs/dbraw/zinc/68/37/83/572683783.db2.gz XSLTYOIISBGGHE-VIFPVBQESA-N 0 0 190.308 1.860 10 0 ADAERN CO[C@H]1CCC[C@]2(CC(=O)CCO2)C1 234791738 572680547 /nfs/dbraw/zinc/68/05/47/572680547.db2.gz YWUCLYOFCQJQPC-QWRGUYRKSA-N 0 0 198.262 1.694 10 0 ADAERN O=C([O-])CCCC[NH2+]C1CC=CC1 236416688 572680557 /nfs/dbraw/zinc/68/05/57/572680557.db2.gz UEPRMZWHLUVQPE-UHFFFAOYSA-N 0 0 183.251 1.550 10 0 ADAERN Cc1ccoc1C1(O)CC1 54346197 572680565 /nfs/dbraw/zinc/68/05/65/572680565.db2.gz DKEMFHZTKCTZJW-UHFFFAOYSA-N 0 0 138.166 1.569 10 0 ADAERN CC(=O)CCS[C@H](C)CCO 85146309 572683788 /nfs/dbraw/zinc/68/37/88/572683788.db2.gz RCLDAYNFRIECGV-MRVPVSSYSA-N 0 0 176.281 1.470 10 0 ADAERN C=C/C=C/CC[NH2+]C[C@@H](C)C(=O)[O-] 713455413 572680901 /nfs/dbraw/zinc/68/09/01/572680901.db2.gz KWCSQKOWUDOSAG-XNPJLODASA-N 0 0 183.251 1.429 10 0 ADAERN O=C(Cc1ccccc1)[C@@H]1CCOC1 48627443 572680907 /nfs/dbraw/zinc/68/09/07/572680907.db2.gz YGJCEXBGNNRDRD-LLVKDONJSA-N 0 0 190.242 1.835 10 0 ADAERN C/C=C/C=C\C(=O)N(C)C#N 307867880 572680909 /nfs/dbraw/zinc/68/09/09/572680909.db2.gz KDKMHMDGGSMWRI-ICWBMWKASA-N 0 0 150.181 1.058 10 0 ADAERN CCN[C@@](C)(COC)C(F)F 87689169 572680929 /nfs/dbraw/zinc/68/09/29/572680929.db2.gz LPHHGLRJWJEJMF-ZETCQYMHSA-N 0 0 167.199 1.266 10 0 ADAERN Cc1cccc(C2(O)CC2)c1 54346116 572680950 /nfs/dbraw/zinc/68/09/50/572680950.db2.gz LGGTYFGNUVJLGN-UHFFFAOYSA-N 0 0 148.205 1.976 10 0 ADAERN CCN[C@@](COC)(C(F)F)C1CC1 87689089 572680964 /nfs/dbraw/zinc/68/09/64/572680964.db2.gz IYSBCXKWLYUPME-SECBINFHSA-N 0 0 193.237 1.656 10 0 ADAERN 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C[C@H]1C[C@H]1C1(O)CC1 54346745 572681208 /nfs/dbraw/zinc/68/12/08/572681208.db2.gz YMEHQAINMXMVNP-NTSWFWBYSA-N 0 0 112.172 1.167 10 0 ADAERN OC1(Cc2cccc(F)c2)CC1 54346263 572681229 /nfs/dbraw/zinc/68/12/29/572681229.db2.gz ABJWPHRITKJBMM-UHFFFAOYSA-N 0 0 166.195 1.893 10 0 ADAERN CCOC(=O)[C@@H]1CCO[C@H]1C1CC1 308090958 572681231 /nfs/dbraw/zinc/68/12/31/572681231.db2.gz MQFPZFJVWKSUFQ-BDAKNGLRSA-N 0 0 184.235 1.365 10 0 ADAERN CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1O2 87689826 572681354 /nfs/dbraw/zinc/68/13/54/572681354.db2.gz AJNVKCDCBMZMRP-VGMNWLOBSA-N 0 0 183.251 1.079 10 0 ADAERN CCN[C@H](c1cncn1C)C(F)F 87689176 572681756 /nfs/dbraw/zinc/68/17/56/572681756.db2.gz SAZUKNSQWVRFBI-SSDOTTSWSA-N 0 0 189.209 1.336 10 0 ADAERN CN[C@@](C)(CCOC)C(F)F 87688393 572681297 /nfs/dbraw/zinc/68/12/97/572681297.db2.gz KMHRAVHVJVSLOC-ZETCQYMHSA-N 0 0 167.199 1.266 10 0 ADAERN CC(C)CC1(O)CC1 54346151 572681345 /nfs/dbraw/zinc/68/13/45/572681345.db2.gz RDRUUONAUGDHDK-UHFFFAOYSA-N 0 0 114.188 1.557 10 0 ADAERN CO[C@H](O)CCc1ccccc1 238407770 572681347 /nfs/dbraw/zinc/68/13/47/572681347.db2.gz DITANJVLSCBYHH-JTQLQIEISA-N 0 0 166.220 1.584 10 0 ADAERN C[C@H](N)C(=O)O[C@H]1CCCC[C@H]1C 48633852 572683982 /nfs/dbraw/zinc/68/39/82/572683982.db2.gz FBCMNYSHUKBPDJ-VGMNWLOBSA-N 0 0 185.267 1.456 10 0 ADAERN CC[C@H](C)OCc1nnc(N)s1 87692789 572681372 /nfs/dbraw/zinc/68/13/72/572681372.db2.gz UVNHSXDFKYTDTC-YFKPBYRVSA-N 0 0 187.268 1.435 10 0 ADAERN COC(=O)N(CO)C[C@H]1CC=CCC1 238406838 572681374 /nfs/dbraw/zinc/68/13/74/572681374.db2.gz DTEKNGSAAMOGRD-VIFPVBQESA-N 0 0 199.250 1.361 10 0 ADAERN CO[C@H]1CCC[C@@](O)(C(F)F)C1 234790044 572681380 /nfs/dbraw/zinc/68/13/80/572681380.db2.gz XUEGZURTXUQSJO-XPUUQOCRSA-N 0 0 180.194 1.572 10 0 ADAERN CC[NH+](CC)[C@@H]1C=CC[C@H](C(=O)[O-])C1 714145130 572681396 /nfs/dbraw/zinc/68/13/96/572681396.db2.gz KTMABSGRDQHHJP-VHSXEESVSA-N 0 0 197.278 1.748 10 0 ADAERN CC(C)C[C@H]([NH3+])/C=C/[P@@](=O)([O-])O 307867294 572681406 /nfs/dbraw/zinc/68/14/06/572681406.db2.gz CBFLIHCXMZELLB-KGGZQZJCSA-N 0 0 193.183 1.051 10 0 ADAERN C[C@H](O)C[C@H](C)C[C@H](C)CO 307868092 572681452 /nfs/dbraw/zinc/68/14/52/572681452.db2.gz HKDCJFMIDIYZGL-VGMNWLOBSA-N 0 0 160.257 1.412 10 0 ADAERN CCN[C@](COC)(C(C)C)C(F)F 87689191 572681520 /nfs/dbraw/zinc/68/15/20/572681520.db2.gz RLTKXOVOTNGLDR-SECBINFHSA-N 0 0 195.253 1.902 10 0 ADAERN C[C@H](O)C[C@@H](C)C[C@H](C)CO 307868076 572681545 /nfs/dbraw/zinc/68/15/45/572681545.db2.gz HKDCJFMIDIYZGL-CIUDSAMLSA-N 0 0 160.257 1.412 10 0 ADAERN CC[C@H](C)[NH2+][C@H]1C=CC[C@@H](C(=O)[O-])C1 714145044 572681560 /nfs/dbraw/zinc/68/15/60/572681560.db2.gz KECNZYGIPRXACW-AEJSXWLSSA-N 0 0 197.278 1.794 10 0 ADAERN O[C@@H]1CC=CCC=C[C@@H]2C[C@H]21 307868706 572681562 /nfs/dbraw/zinc/68/15/62/572681562.db2.gz HWUPUEPWGUYQJE-OPRDCNLKSA-N 0 0 150.221 1.890 10 0 ADAERN Cc1ccccc1C1(O)CC1 54346770 572681576 /nfs/dbraw/zinc/68/15/76/572681576.db2.gz PKVSVVJQKWMASO-UHFFFAOYSA-N 0 0 148.205 1.976 10 0 ADAERN 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572682236 /nfs/dbraw/zinc/68/22/36/572682236.db2.gz GQUPECNNAJTXOQ-TVSKSKRASA-N 0 0 178.659 1.917 10 0 ADAERN COc1ccccc1CC1(O)CC1 54346380 572682253 /nfs/dbraw/zinc/68/22/53/572682253.db2.gz RSBMQISYDVHYLR-UHFFFAOYSA-N 0 0 178.231 1.763 10 0 ADAERN CC(=O)O[C@H](C)Oc1ccccc1O 238406583 572682266 /nfs/dbraw/zinc/68/22/66/572682266.db2.gz GHKHZWWGPVLDDA-QMMMGPOBSA-N 0 0 196.202 1.680 10 0 ADAERN C[C@H](O)C[C@@H](C)C[C@@H](C)CO 307868098 572682296 /nfs/dbraw/zinc/68/22/96/572682296.db2.gz HKDCJFMIDIYZGL-YIZRAAEISA-N 0 0 160.257 1.412 10 0 ADAERN CC(C)(C)C1(O)CC1 54346402 572682299 /nfs/dbraw/zinc/68/22/99/572682299.db2.gz OXAUUVOIJGZWRN-UHFFFAOYSA-N 0 0 114.188 1.557 10 0 ADAERN C[C@@H](CCO)Sc1ccccn1 85142886 572682317 /nfs/dbraw/zinc/68/23/17/572682317.db2.gz XFQBFISVRCWMQP-QMMMGPOBSA-N 0 0 183.276 1.945 10 0 ADAERN CC(=O)C[C@H](C)S[C@H](C)CCO 85146479 572682329 /nfs/dbraw/zinc/68/23/29/572682329.db2.gz JXYOUFPWURMYGR-BDAKNGLRSA-N 0 0 190.308 1.858 10 0 ADAERN CC(=O)CCS[C@@H](C)CCO 85146307 572682345 /nfs/dbraw/zinc/68/23/45/572682345.db2.gz RCLDAYNFRIECGV-QMMMGPOBSA-N 0 0 176.281 1.470 10 0 ADAERN CCCCOCc1nnc(N)s1 87692774 572682347 /nfs/dbraw/zinc/68/23/47/572682347.db2.gz FSHZDMGEUOMPFD-UHFFFAOYSA-N 0 0 187.268 1.437 10 0 ADAERN CC[C@@H](C)OCc1nnc(N)s1 87692788 572682542 /nfs/dbraw/zinc/68/25/42/572682542.db2.gz UVNHSXDFKYTDTC-RXMQYKEDSA-N 0 0 187.268 1.435 10 0 ADAERN COc1ccc(C)cc1C1(O)CC1 54346514 572682362 /nfs/dbraw/zinc/68/23/62/572682362.db2.gz XJJSJNZNWSSNMM-UHFFFAOYSA-N 0 0 178.231 1.985 10 0 ADAERN CC[C@H](C)[NH2+][C@H]1C=CC[C@H](C(=O)[O-])C1 714145049 572682369 /nfs/dbraw/zinc/68/23/69/572682369.db2.gz KECNZYGIPRXACW-GUBZILKMSA-N 0 0 197.278 1.794 10 0 ADAERN CN[C@](COC)(C(C)C)C(F)F 87688804 572682371 /nfs/dbraw/zinc/68/23/71/572682371.db2.gz AUCGHYJXUOIDLH-MRVPVSSYSA-N 0 0 181.226 1.512 10 0 ADAERN COC(=O)N(CO)C[C@@H]1CC=CCC1 238406857 572682373 /nfs/dbraw/zinc/68/23/73/572682373.db2.gz DTEKNGSAAMOGRD-SECBINFHSA-N 0 0 199.250 1.361 10 0 ADAERN 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713732339 572682618 /nfs/dbraw/zinc/68/26/18/572682618.db2.gz ZXMXFOYHEKWGGP-MRVPVSSYSA-N 0 0 196.250 1.496 10 0 ADAERN CCn1cncc1[C@H](NC)C(F)F 87688742 572682663 /nfs/dbraw/zinc/68/26/63/572682663.db2.gz WHEYDXDKWKHPPX-ZETCQYMHSA-N 0 0 189.209 1.429 10 0 ADAERN C[C@@H](CCO)SCc1cnccn1 85146057 572682697 /nfs/dbraw/zinc/68/26/97/572682697.db2.gz BRSCSYUNSYPXHV-QMMMGPOBSA-N 0 0 198.291 1.481 10 0 ADAERN CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1O2 87689842 572682705 /nfs/dbraw/zinc/68/27/05/572682705.db2.gz JUWZKGHJDAPJJW-VGMNWLOBSA-N 0 0 183.251 1.223 10 0 ADAERN C[C@@H](CCO)Sc1ncccc1N 85142080 572682708 /nfs/dbraw/zinc/68/27/08/572682708.db2.gz VDXVVRPNZCEHFT-ZETCQYMHSA-N 0 0 198.291 1.527 10 0 ADAERN CCCN[C@]1(C(F)F)CCOC1 87689227 572682713 /nfs/dbraw/zinc/68/27/13/572682713.db2.gz OTPKKAVDPGGJEM-MRVPVSSYSA-N 0 0 179.210 1.410 10 0 ADAERN O[C@@H]1CC=CCC=C[C@H]2C[C@@H]12 307868691 572682718 /nfs/dbraw/zinc/68/27/18/572682718.db2.gz HWUPUEPWGUYQJE-IVZWLZJFSA-N 0 0 150.221 1.890 10 0 ADAERN 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ADAERN OC1(c2cccc(F)c2F)CC1 54346505 572683043 /nfs/dbraw/zinc/68/30/43/572683043.db2.gz WKKAHSJKHUZHPZ-UHFFFAOYSA-N 0 0 170.158 1.946 10 0 ADAERN OC1(Cc2ccsc2)CC1 54346355 572683056 /nfs/dbraw/zinc/68/30/56/572683056.db2.gz CKKSDWZGORRPCZ-UHFFFAOYSA-N 0 0 154.234 1.816 10 0 ADAERN CNc1nc(NC2CC2)c(F)cc1F 234539357 572683063 /nfs/dbraw/zinc/68/30/63/572683063.db2.gz YKNBPXMECITQBR-UHFFFAOYSA-N 0 0 199.204 1.976 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@@H](C)C(C)C 308094394 572683065 /nfs/dbraw/zinc/68/30/65/572683065.db2.gz WWUGOQYFZSXUCD-JGVFFNPUSA-N 0 0 173.256 1.341 10 0 ADAERN CCn1cncc1[C@@H](NC)C(F)F 87688743 572683071 /nfs/dbraw/zinc/68/30/71/572683071.db2.gz WHEYDXDKWKHPPX-SSDOTTSWSA-N 0 0 189.209 1.429 10 0 ADAERN C[C@@H](CCO)S[C@@H]1CCCC1=O 85146250 572683738 /nfs/dbraw/zinc/68/37/38/572683738.db2.gz MNDCNFPYWJYFTA-IONNQARKSA-N 0 0 188.292 1.612 10 0 ADAERN C[C@@H](CCO)Sc1ccncc1 85144172 572683095 /nfs/dbraw/zinc/68/30/95/572683095.db2.gz UZVOSBGCCDQHKJ-QMMMGPOBSA-N 0 0 183.276 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/nfs/dbraw/zinc/68/37/47/572683747.db2.gz POWOXDNEACZLNW-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN Nc1cnnn1-c1cc(F)cc(F)c1 713459938 572683765 /nfs/dbraw/zinc/68/37/65/572683765.db2.gz HAXYDYNIMGAYMY-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN C[C@@H](CCO)S[C@@H]1CCC(=O)C1 85147002 572683770 /nfs/dbraw/zinc/68/37/70/572683770.db2.gz CYEQHVHVJKKRGI-IONNQARKSA-N 0 0 188.292 1.612 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1OC(=O)CN 48634090 572683773 /nfs/dbraw/zinc/68/37/73/572683773.db2.gz WFDSCPOLOJTNFF-BDAKNGLRSA-N 0 0 185.267 1.457 10 0 ADAERN C[C@@H]1OCC[C@@H]2C[C@H](O)CC[C@H]12 253484467 572683836 /nfs/dbraw/zinc/68/38/36/572683836.db2.gz HMQOSJNXWXZSQC-SGIHWFKDSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@H](CCO)Sc1cccnn1 85142870 572683840 /nfs/dbraw/zinc/68/38/40/572683840.db2.gz FFFSLGPYRJWDRB-SSDOTTSWSA-N 0 0 184.264 1.340 10 0 ADAERN C[C@@H]1SC[C@@H]2CC[C@@H](O)C[C@H]12 253483923 572683843 /nfs/dbraw/zinc/68/38/43/572683843.db2.gz CGZFAIYBJLYMJV-RBXMUDONSA-N 0 0 172.293 1.899 10 0 ADAERN C[C@@H](CCO)Sc1ccc(N)nc1 85142243 572683870 /nfs/dbraw/zinc/68/38/70/572683870.db2.gz FTUPBDGTMDYOJF-ZETCQYMHSA-N 0 0 198.291 1.527 10 0 ADAERN CCO[C@H](CC)[C@H](O)[C@H]1CCOC1 253180617 572683883 /nfs/dbraw/zinc/68/38/83/572683883.db2.gz SYIVXZQGTPBHSH-IVZWLZJFSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@H](CCO)S[C@@H]1CCC(=O)C1 85147025 572683958 /nfs/dbraw/zinc/68/39/58/572683958.db2.gz CYEQHVHVJKKRGI-VXNVDRBHSA-N 0 0 188.292 1.612 10 0 ADAERN Cc1cccc(CO[C@H](C)[C@@H](C)O)n1 238407423 572684007 /nfs/dbraw/zinc/68/40/07/572684007.db2.gz VYEODPIQZOAJJC-NXEZZACHSA-N 0 0 195.262 1.676 10 0 ADAERN C[C@H](CCO)S[C@@H]1CCCC1=O 85146253 572684046 /nfs/dbraw/zinc/68/40/46/572684046.db2.gz MNDCNFPYWJYFTA-VXNVDRBHSA-N 0 0 188.292 1.612 10 0 ADAERN COC1CC(O)(Cc2ccccn2)C1 234795032 572684047 /nfs/dbraw/zinc/68/40/47/572684047.db2.gz CQTIMGZGZYBBQY-UHFFFAOYSA-N 0 0 193.246 1.164 10 0 ADAERN CC(C)C[C@H](C)OC(=O)CNC1CC1 48632606 572684051 /nfs/dbraw/zinc/68/40/51/572684051.db2.gz WLIDHZRJPLUIGQ-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN C[C@H]1C[C@@H](n2nncc2N)CC[C@H]1C 713454784 572684067 /nfs/dbraw/zinc/68/40/67/572684067.db2.gz UOTGNJDTMRBIED-VGMNWLOBSA-N 0 0 194.282 1.858 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2ccc([O-])c(F)c21 713732875 572684080 /nfs/dbraw/zinc/68/40/80/572684080.db2.gz BINLGZJVVKAKKS-RXMQYKEDSA-N 0 0 181.166 1.118 10 0 ADAERN C[C@H](CCO)Sc1ncccc1N 85142082 572684095 /nfs/dbraw/zinc/68/40/95/572684095.db2.gz VDXVVRPNZCEHFT-SSDOTTSWSA-N 0 0 198.291 1.527 10 0 ADAERN OC(=S)c1ccncc1 116297694 572684106 /nfs/dbraw/zinc/68/41/06/572684106.db2.gz UZHHJKSVCAPNNN-UHFFFAOYSA-N 0 0 139.179 1.315 10 0 ADAERN C[C@@H]1[C@H](C(=O)[O-])C[C@@H](C2CC2)C[N@@H+]1C 253484638 572684125 /nfs/dbraw/zinc/68/41/25/572684125.db2.gz IOZYVLCZQBOSJB-SZEHBUNVSA-N 0 0 197.278 1.437 10 0 ADAERN COC1CC(O)(Cc2cccs2)C1 234795265 572684134 /nfs/dbraw/zinc/68/41/34/572684134.db2.gz HHRRVSAOYZJHEO-UHFFFAOYSA-N 0 0 198.287 1.831 10 0 ADAERN O=Cc1cn(CC[C@H]2CCCO2)cn1 236419270 572684177 /nfs/dbraw/zinc/68/41/77/572684177.db2.gz HTZNIPHDEVHOSX-SNVBAGLBSA-N 0 0 194.234 1.265 10 0 ADAERN C[C@H](CCO)S[C@H]1CCC(=O)C1 85147029 572684187 /nfs/dbraw/zinc/68/41/87/572684187.db2.gz CYEQHVHVJKKRGI-APPZFPTMSA-N 0 0 188.292 1.612 10 0 ADAERN C[C@@H](CCO)SCc1ncno1 85146390 572684210 /nfs/dbraw/zinc/68/42/10/572684210.db2.gz FKMMVRDEOUCKRM-LURJTMIESA-N 0 0 188.252 1.074 10 0 ADAERN CC(C)[C@@H]1C[C@@H](C)[NH2+]C[C@@H]1C(=O)[O-] 253484054 572684212 /nfs/dbraw/zinc/68/42/12/572684212.db2.gz DHVZMCLAZHNPGP-VGMNWLOBSA-N 0 0 185.267 1.341 10 0 ADAERN CCO[C@H](CC)[C@@H](O)[C@H]1CCOC1 253180615 572684218 /nfs/dbraw/zinc/68/42/18/572684218.db2.gz SYIVXZQGTPBHSH-AEJSXWLSSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@@H]1OCC[C@@H]2C[C@@H](O)CC[C@H]12 253484466 572684237 /nfs/dbraw/zinc/68/42/37/572684237.db2.gz HMQOSJNXWXZSQC-QCLAVDOMSA-N 0 0 170.252 1.572 10 0 ADAERN CCCOC[C@H](O)[C@@H]1CCCS1 87703702 572684274 /nfs/dbraw/zinc/68/42/74/572684274.db2.gz SJXFONXTTAAJOZ-IUCAKERBSA-N 0 0 190.308 1.670 10 0 ADAERN O=Cc1cn(CC[C@@H]2CCCO2)cn1 236419259 572684311 /nfs/dbraw/zinc/68/43/11/572684311.db2.gz HTZNIPHDEVHOSX-JTQLQIEISA-N 0 0 194.234 1.265 10 0 ADAERN CC(C)=CC[C@H](C)[C@@H](CO)CCO 238408675 572684353 /nfs/dbraw/zinc/68/43/53/572684353.db2.gz PQSHDDNEQAHJEY-WDEREUQCSA-N 0 0 186.295 1.970 10 0 ADAERN C[C@H](CCO)Sc1ccccn1 85142888 572684407 /nfs/dbraw/zinc/68/44/07/572684407.db2.gz XFQBFISVRCWMQP-MRVPVSSYSA-N 0 0 183.276 1.945 10 0 ADAERN CCSCCCn1nncc1N 713454580 572684426 /nfs/dbraw/zinc/68/44/26/572684426.db2.gz QHQDCEIXBIYYPE-UHFFFAOYSA-N 0 0 186.284 1.004 10 0 ADAERN O=C([O-])c1c(C2CC2)oc2c1C[NH2+]C2 214712254 572684463 /nfs/dbraw/zinc/68/44/63/572684463.db2.gz ZGJWERRXZOILMM-UHFFFAOYSA-N 0 0 193.202 1.458 10 0 ADAERN CO[C@H](c1nc(O)c[nH]1)C(C)(C)C 234792245 572684504 /nfs/dbraw/zinc/68/45/04/572684504.db2.gz CXNXMGWCJLFGEV-SSDOTTSWSA-N 0 0 184.239 1.849 10 0 ADAERN COC(=O)CCS[C@H](C)CCO 85141776 572684505 /nfs/dbraw/zinc/68/45/05/572684505.db2.gz OPGIWDRZFDKSSV-SSDOTTSWSA-N 0 0 192.280 1.054 10 0 ADAERN C[C@@H]1SC[C@@H]2CC[C@H](O)C[C@H]12 253483924 572684508 /nfs/dbraw/zinc/68/45/08/572684508.db2.gz CGZFAIYBJLYMJV-XSPKLOCKSA-N 0 0 172.293 1.899 10 0 ADAERN C[C@@H](CCO)S[C@H]1CCCC1=O 85146254 572684510 /nfs/dbraw/zinc/68/45/10/572684510.db2.gz MNDCNFPYWJYFTA-CBAPKCEASA-N 0 0 188.292 1.612 10 0 ADAERN C[C@H]1CCCC[C@H]1OC(=O)CN 48633346 572684549 /nfs/dbraw/zinc/68/45/49/572684549.db2.gz BUVNOWJVEYCWRO-JGVFFNPUSA-N 0 0 171.240 1.067 10 0 ADAERN C[C@H](NC[C@H]1CCC[C@H]1O)C(F)F 299895053 572684566 /nfs/dbraw/zinc/68/45/66/572684566.db2.gz DTFUEGMXRXVGTO-XLPZGREQSA-N 0 0 193.237 1.391 10 0 ADAERN CC[C@H](O)[C@H](C)C[C@](C)(O)CC 253211894 572684584 /nfs/dbraw/zinc/68/45/84/572684584.db2.gz BNNIEFAEGBZDHX-KXUCPTDWSA-N 0 0 174.284 1.945 10 0 ADAERN CN1C(=O)c2ccccc2NC1(C)C 66128212 572684587 /nfs/dbraw/zinc/68/45/87/572684587.db2.gz NQNSZSLGMDYNOB-UHFFFAOYSA-N 0 0 190.246 1.920 10 0 ADAERN CC(C)[C@H]1C[C@@H](C)[NH2+]C[C@@H]1C(=O)[O-] 253484053 572684623 /nfs/dbraw/zinc/68/46/23/572684623.db2.gz DHVZMCLAZHNPGP-HLTSFMKQSA-N 0 0 185.267 1.341 10 0 ADAERN Cc1cc(N)c(-n2cnnc2)cc1C 54405083 572684624 /nfs/dbraw/zinc/68/46/24/572684624.db2.gz RYPJAYDVRXVKGY-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN C[C@@H]1SC[C@@H]2CC[C@H](O)C[C@@H]12 253483921 572684626 /nfs/dbraw/zinc/68/46/26/572684626.db2.gz CGZFAIYBJLYMJV-JBDRJPRFSA-N 0 0 172.293 1.899 10 0 ADAERN C[C@H](CCO)Sc1nccn1C 85143590 572684638 /nfs/dbraw/zinc/68/46/38/572684638.db2.gz FMCKLBLOQPZVQB-SSDOTTSWSA-N 0 0 186.280 1.283 10 0 ADAERN CCC(=O)[C@@H](C)S[C@H](C)CCO 85146966 572684687 /nfs/dbraw/zinc/68/46/87/572684687.db2.gz GVSOIRRLCKDBQR-HTQZYQBOSA-N 0 0 190.308 1.858 10 0 ADAERN C[C@@H](CCCCC[NH3+])C(=O)[O-] 117434327 572684739 /nfs/dbraw/zinc/68/47/39/572684739.db2.gz XVQDVRNIYADDSU-ZETCQYMHSA-N 0 0 159.229 1.226 10 0 ADAERN COC1CC(O)(Cc2ccncc2)C1 234795511 572684767 /nfs/dbraw/zinc/68/47/67/572684767.db2.gz DCUZTDFTUULJOW-UHFFFAOYSA-N 0 0 193.246 1.164 10 0 ADAERN C[C@H](C=O)Cc1cccc(C=O)c1 238408734 572684822 /nfs/dbraw/zinc/68/48/22/572684822.db2.gz VSWQIHBXRDUJOD-VIFPVBQESA-N 0 0 176.215 1.877 10 0 ADAERN C[C@H](NC[C@@H]1CCC[C@H]1O)C(F)F 299895052 572684832 /nfs/dbraw/zinc/68/48/32/572684832.db2.gz DTFUEGMXRXVGTO-BIIVOSGPSA-N 0 0 193.237 1.391 10 0 ADAERN COc1ccc(CO/C=C\CO)cc1 214712090 572684890 /nfs/dbraw/zinc/68/48/90/572684890.db2.gz ASTGTJOBDMMARI-WAPJZHGLSA-N 0 0 194.230 1.718 10 0 ADAERN C=C/C=C\CC[NH2+][C@@H]1CC[C@@H]1C(=O)[O-] 713456445 572684900 /nfs/dbraw/zinc/68/49/00/572684900.db2.gz SOOPPOILBXOFMA-RWCMCFKCSA-N 0 0 195.262 1.572 10 0 ADAERN C[C@@H]1SC[C@@H]2CC[C@@H](O)C[C@@H]12 253483922 572684909 /nfs/dbraw/zinc/68/49/09/572684909.db2.gz CGZFAIYBJLYMJV-MAUMQABQSA-N 0 0 172.293 1.899 10 0 ADAERN CCC(C)(C)c1nnc2n1CCNC2 54404478 572684913 /nfs/dbraw/zinc/68/49/13/572684913.db2.gz TUTXLAXAMDWECM-UHFFFAOYSA-N 0 0 194.282 1.069 10 0 ADAERN O=Cc1cn(COCC2CC2)cn1 236419443 572684936 /nfs/dbraw/zinc/68/49/36/572684936.db2.gz 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/nfs/dbraw/zinc/68/50/97/572685097.db2.gz ZVQYYXRULMSLTA-UHFFFAOYSA-N 0 0 179.219 1.357 10 0 ADAERN CCOC[C@@H](O)[C@@H]1CCCCS1 87704439 572685101 /nfs/dbraw/zinc/68/51/01/572685101.db2.gz UQWDCRYZYBHWKU-BDAKNGLRSA-N 0 0 190.308 1.670 10 0 ADAERN Cc1cccc([C@@H](N)c2ncccn2)c1 37467240 572685152 /nfs/dbraw/zinc/68/51/52/572685152.db2.gz MYNIIKCYSVRBHA-LLVKDONJSA-N 0 0 199.257 1.833 10 0 ADAERN C[C@@H](NN(C)C)c1cc(O)cc(O)c1 235202109 572686646 /nfs/dbraw/zinc/68/66/46/572686646.db2.gz FUUPCRBHXSBMFW-SSDOTTSWSA-N 0 0 196.250 1.225 10 0 ADAERN CO[C@H](C(C)C)[C@@H](O)[C@H]1CCOC1 253180228 572685187 /nfs/dbraw/zinc/68/51/87/572685187.db2.gz SSPDPPRTNYIVQN-LPEHRKFASA-N 0 0 188.267 1.055 10 0 ADAERN CCCCN1C=CN(C)[C@H]1C 253476078 572685241 /nfs/dbraw/zinc/68/52/41/572685241.db2.gz TYOCDPIZUIQUSO-SECBINFHSA-N 0 0 154.257 1.851 10 0 in-vitro ADAERN COCCC1([C@H](C)O)CC1 234785858 572685246 /nfs/dbraw/zinc/68/52/46/572685246.db2.gz KGFNGZBMSBRVTL-ZETCQYMHSA-N 0 0 144.214 1.184 10 0 ADAERN 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/nfs/dbraw/zinc/68/57/71/572685771.db2.gz KCLWXPSKFAUAJD-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN CC(C)(C)c1cnn2c1NCCC2 250370810 572685810 /nfs/dbraw/zinc/68/58/10/572685810.db2.gz VBTYPGXDRGTXOO-UHFFFAOYSA-N 0 0 179.267 1.996 10 0 ADAERN CCC[C@H](OC)[C@H](O)[C@H]1CCOC1 253176730 572685821 /nfs/dbraw/zinc/68/58/21/572685821.db2.gz PYFOUCAQEOOQSK-LPEHRKFASA-N 0 0 188.267 1.199 10 0 ADAERN NC(=O)NOCCC1CCCC1 308094922 572685921 /nfs/dbraw/zinc/68/59/21/572685921.db2.gz XJWPEQAOKCDPOI-UHFFFAOYSA-N 0 0 172.228 1.167 10 0 ADAERN COc1c(N)nsc1N(C)C1CC1 234795277 572686540 /nfs/dbraw/zinc/68/65/40/572686540.db2.gz GBOUWCXMQNRAIT-UHFFFAOYSA-N 0 0 199.279 1.333 10 0 ADAERN COC1CC(O)(Cc2ccco2)C1 234795209 572685946 /nfs/dbraw/zinc/68/59/46/572685946.db2.gz DNNYVYSICOHNHL-UHFFFAOYSA-N 0 0 182.219 1.362 10 0 ADAERN Cc1cn(-c2cccc(F)c2)nc1N 54404871 572685972 /nfs/dbraw/zinc/68/59/72/572685972.db2.gz HDLGQYWQWJWBIC-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN COc1cc(OC)cc([C@@H](C)NO)c1 238407572 572685984 /nfs/dbraw/zinc/68/59/84/572685984.db2.gz JUMJGVKOXSORDD-SSDOTTSWSA-N 0 0 197.234 1.744 10 0 ADAERN C[C@@H]1[C@@H](C(=O)[O-])C[C@@H](C2CC2)C[N@@H+]1C 253484637 572686007 /nfs/dbraw/zinc/68/60/07/572686007.db2.gz IOZYVLCZQBOSJB-QNSHHTMESA-N 0 0 197.278 1.437 10 0 ADAERN C[C@H]1Cc2c(N)ccc(F)c2N1 713732953 572686543 /nfs/dbraw/zinc/68/65/43/572686543.db2.gz BPKIBQNQORFQRR-YFKPBYRVSA-N 0 0 166.199 1.764 10 0 ADAERN CC(C)OC[C@@H](O)[C@H]1CCCS1 87703715 572686024 /nfs/dbraw/zinc/68/60/24/572686024.db2.gz PISINTZBRRVACF-RKDXNWHRSA-N 0 0 190.308 1.668 10 0 ADAERN C=C/C=C\[C@@H]1C=CC[C@@H]1CO 307870034 572686029 /nfs/dbraw/zinc/68/60/29/572686029.db2.gz IPWILEGKGDMHMF-QBNQYXCASA-N 0 0 150.221 1.913 10 0 ADAERN CC(C)OC[C@H](O)[C@H]1CCCS1 87703713 572686043 /nfs/dbraw/zinc/68/60/43/572686043.db2.gz PISINTZBRRVACF-DTWKUNHWSA-N 0 0 190.308 1.668 10 0 ADAERN CO[C@H](C1=NC(=O)CN1C)C(C)(C)C 234792292 572686065 /nfs/dbraw/zinc/68/60/65/572686065.db2.gz XVEPPDISKIJGOC-MRVPVSSYSA-N 0 0 198.266 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/nfs/dbraw/zinc/68/62/33/572686233.db2.gz LOQMAQXBBNXWHV-NRPADANISA-N 0 0 196.246 1.555 10 0 ADAERN O=c1ccccn1COCC1CC1 236420661 572686242 /nfs/dbraw/zinc/68/62/42/572686242.db2.gz ZMGKPMCHLUBJGA-UHFFFAOYSA-N 0 0 179.219 1.232 10 0 ADAERN C/C=C\C(=O)O[C@@H](C)C1CC1 307869793 572686327 /nfs/dbraw/zinc/68/63/27/572686327.db2.gz LAWXZTVPRUJTTH-AVALRIAPSA-N 0 0 154.209 1.904 10 0 ADAERN C[C@@H](O)[C@@H](C)OC(=O)OC(C)(C)C 238407290 572686337 /nfs/dbraw/zinc/68/63/37/572686337.db2.gz MMPZHUBHKRFNCS-RNFRBKRXSA-N 0 0 190.239 1.707 10 0 ADAERN CO[C@H]1CCC[C@@H](n2nccc2N)C1 234792414 572686372 /nfs/dbraw/zinc/68/63/72/572686372.db2.gz GDYFBHKZZQTIKJ-BDAKNGLRSA-N 0 0 195.266 1.595 10 0 ADAERN C[C@H](CCCCC[NH3+])C(=O)[O-] 117434328 572686428 /nfs/dbraw/zinc/68/64/28/572686428.db2.gz XVQDVRNIYADDSU-SSDOTTSWSA-N 0 0 159.229 1.226 10 0 ADAERN O=c1sccn1COCC1CC1 236421570 572686462 /nfs/dbraw/zinc/68/64/62/572686462.db2.gz CDLJAHXBARGDPF-UHFFFAOYSA-N 0 0 185.248 1.294 10 0 ADAERN CC(=O)Nc1cc(C)cc(O)c1C=O 214712854 572686503 /nfs/dbraw/zinc/68/65/03/572686503.db2.gz WGSAPHPUWDMYFL-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN CCc1nc(N)n([C@H](C)CC)n1 54404641 572686504 /nfs/dbraw/zinc/68/65/04/572686504.db2.gz ZWGOUAVFXCNOLT-ZCFIWIBFSA-N 0 0 168.244 1.394 10 0 ADAERN Cc1ccc(F)cc1NCCCO 48694083 572686642 /nfs/dbraw/zinc/68/66/42/572686642.db2.gz IEHIMNNWIBDSQD-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN CCOC[C@H](O)[C@@H]1CCCCS1 87704437 572686678 /nfs/dbraw/zinc/68/66/78/572686678.db2.gz UQWDCRYZYBHWKU-IUCAKERBSA-N 0 0 190.308 1.670 10 0 ADAERN COC1CC(O)(Cc2cccnc2)C1 234795091 572686683 /nfs/dbraw/zinc/68/66/83/572686683.db2.gz BKZYGLRARKJLNN-UHFFFAOYSA-N 0 0 193.246 1.164 10 0 ADAERN C/C=C\CCNC(=O)C1CC1 307869388 572686684 /nfs/dbraw/zinc/68/66/84/572686684.db2.gz OJXCTHYGQVJENJ-IHWYPQMZSA-N 0 0 153.225 1.479 10 0 ADAERN NO[C@H](CCO)c1ccccc1 116424098 572686714 /nfs/dbraw/zinc/68/67/14/572686714.db2.gz HYYKITDEZHQZCY-SECBINFHSA-N 0 0 167.208 1.000 10 0 ADAERN COC(=O)[C@]1(Cl)[C@H]2CCC[C@H]21 250371290 572686716 /nfs/dbraw/zinc/68/67/16/572686716.db2.gz PAWACWHGGFPQGI-UQWHLADISA-N 0 0 174.627 1.567 10 0 ADAERN COC[C@H](C)C[C@@H](O)[C@H]1CCOC1 252988275 572686730 /nfs/dbraw/zinc/68/67/30/572686730.db2.gz XEYGOPFCDDQLAJ-KXUCPTDWSA-N 0 0 188.267 1.056 10 0 ADAERN Cc1ccc(Cn2ncnc2N)cc1 54404547 572686731 /nfs/dbraw/zinc/68/67/31/572686731.db2.gz JIWQXPZVWSQZAS-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CO[C@H]1CC[C@@H](Nc2ccncn2)C1 234792214 572686733 /nfs/dbraw/zinc/68/67/33/572686733.db2.gz RMAMTRJEGIPTJP-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN COC[C@H](C)C[C@H](O)[C@H]1CCOC1 252988276 572686737 /nfs/dbraw/zinc/68/67/37/572686737.db2.gz XEYGOPFCDDQLAJ-UTLUCORTSA-N 0 0 188.267 1.056 10 0 ADAERN C[C@@H](O)[C@@H](C)S[C@@H]1CCC[C@H]1O 235308218 572686782 /nfs/dbraw/zinc/68/67/82/572686782.db2.gz OPBBQCFLFRBRNT-FNCVBFRFSA-N 0 0 190.308 1.402 10 0 ADAERN C[C@@H](c1ccccc1)n1nncc1N 713462090 572686800 /nfs/dbraw/zinc/68/68/00/572686800.db2.gz HAORWZFPHIOAPJ-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN COC1CC(O)(Cc2nccs2)C1 234796342 572686806 /nfs/dbraw/zinc/68/68/06/572686806.db2.gz LMFNEQYSSANLNX-UHFFFAOYSA-N 0 0 199.275 1.226 10 0 ADAERN CCCOC[C@@H](O)[C@H]1CCCS1 87703708 572686810 /nfs/dbraw/zinc/68/68/10/572686810.db2.gz SJXFONXTTAAJOZ-RKDXNWHRSA-N 0 0 190.308 1.670 10 0 ADAERN COC1CC(O)(Cc2ccccc2)C1 234794704 572686813 /nfs/dbraw/zinc/68/68/13/572686813.db2.gz XTJGXZDGRLGMBT-UHFFFAOYSA-N 0 0 192.258 1.769 10 0 ADAERN CC(=O)Nc1c(C)ccc(C=O)c1O 214713537 572686818 /nfs/dbraw/zinc/68/68/18/572686818.db2.gz WNRRWAXMODBZCN-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN CO[C@@H]1CCCC[C@H]1[C@@H](C)O 234786873 572686908 /nfs/dbraw/zinc/68/69/08/572686908.db2.gz PSMXBZOHLFZRCD-HRDYMLBCSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H]1Cc2c(N)ccc(F)c2N1 713732952 572686970 /nfs/dbraw/zinc/68/69/70/572686970.db2.gz BPKIBQNQORFQRR-RXMQYKEDSA-N 0 0 166.199 1.764 10 0 ADAERN [NH3+][C@H]1CC(=O)c2ccc([O-])c(F)c21 713732877 572687022 /nfs/dbraw/zinc/68/70/22/572687022.db2.gz BINLGZJVVKAKKS-YFKPBYRVSA-N 0 0 181.166 1.118 10 0 ADAERN CC(C)OC[C@H](O)[C@@H]1CCCS1 87703709 572687171 /nfs/dbraw/zinc/68/71/71/572687171.db2.gz PISINTZBRRVACF-IUCAKERBSA-N 0 0 190.308 1.668 10 0 ADAERN CO[C@@H]1CCC[C@](C)(O)C1 234797886 572687184 /nfs/dbraw/zinc/68/71/84/572687184.db2.gz DNLJDRYEAHWZRD-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN O=Cc1ccc(SCCCO)nc1 87719786 572688613 /nfs/dbraw/zinc/68/86/13/572688613.db2.gz SCAUUYYEZFXXFJ-UHFFFAOYSA-N 0 0 197.259 1.369 10 0 ADAERN OCCCNc1ccc2c(c1)CCC2 48694628 572687243 /nfs/dbraw/zinc/68/72/43/572687243.db2.gz FZHRFBUQNPBXDT-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN CCCC1([C@@H](O)C(=O)OC)CC1 116379033 572687291 /nfs/dbraw/zinc/68/72/91/572687291.db2.gz FOUZDRVOKVLTMW-ZETCQYMHSA-N 0 0 172.224 1.101 10 0 ADAERN CO[C@H]1CC[C@@H](Nc2nc(C)no2)C1 234796378 572687292 /nfs/dbraw/zinc/68/72/92/572687292.db2.gz DHPGGPHCCCQYQM-SFYZADRCSA-N 0 0 197.238 1.357 10 0 ADAERN CCOc1ccc(C)cc1C(=O)CN 74368297 572687317 /nfs/dbraw/zinc/68/73/17/572687317.db2.gz IQELQAOVXKQPPH-UHFFFAOYSA-N 0 0 193.246 1.535 10 0 ADAERN CC[C@@H](C)N1CC(=O)N(C2CC2)C1=O 54457468 572688873 /nfs/dbraw/zinc/68/88/73/572688873.db2.gz IJAQLCDXMLQBQP-SSDOTTSWSA-N 0 0 196.250 1.212 10 0 ADAERN CCn1cncc1CCC(C)=O 85184520 572687412 /nfs/dbraw/zinc/68/74/12/572687412.db2.gz HUYNMBYXZUKVOZ-UHFFFAOYSA-N 0 0 166.224 1.425 10 0 ADAERN Cc1cc2cc(N)nc(Cl)n2n1 116433624 572687490 /nfs/dbraw/zinc/68/74/90/572687490.db2.gz PDPXULJXYWIGBM-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN OCCO/C=C\c1ccccc1 117443088 572687492 /nfs/dbraw/zinc/68/74/92/572687492.db2.gz QANLIVZYWPBKPX-VURMDHGXSA-N 0 0 164.204 1.666 10 0 ADAERN CC(=O)Nc1ccc(O)c(C=O)c1C 214713613 572687496 /nfs/dbraw/zinc/68/74/96/572687496.db2.gz RVWUOENYEUUXEL-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN CCOC(=O)/C=C\F 117443653 572687539 /nfs/dbraw/zinc/68/75/39/572687539.db2.gz IZRFZANQMUWZFZ-ARJAWSKDSA-N 0 0 118.107 1.033 10 0 ADAERN Brc1cc2[nH]ccn2n1 250256123 572687557 /nfs/dbraw/zinc/68/75/57/572687557.db2.gz SWPFRUTXBQYCKJ-UHFFFAOYSA-N 0 0 186.012 1.425 10 0 ADAERN CC(=O)Nc1ccc(C)c(O)c1C=O 214713009 572687580 /nfs/dbraw/zinc/68/75/80/572687580.db2.gz GPWPPLDVMXEBOT-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN CC(=O)Nc1c(C)ccc(O)c1C=O 214712929 572687590 /nfs/dbraw/zinc/68/75/90/572687590.db2.gz AAFAMFRYRVWSLW-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN CO[C@H](C)CC[C@@H](O)[C@H]1CCOC1 252984953 572687673 /nfs/dbraw/zinc/68/76/73/572687673.db2.gz IQGLUZNPFJNFPN-KXUCPTDWSA-N 0 0 188.267 1.199 10 0 ADAERN CC[C@@H](CO)Nc1ccc(N)cc1N 66153369 572687696 /nfs/dbraw/zinc/68/76/96/572687696.db2.gz RXDLAQMKISDALH-QMMMGPOBSA-N 0 0 195.266 1.034 10 0 ADAERN Cc1cc(-c2n[nH]c(C)c2CO)on1 66135639 572687712 /nfs/dbraw/zinc/68/77/12/572687712.db2.gz FCLWKLBSIBJNQZ-UHFFFAOYSA-N 0 0 193.206 1.174 10 0 ADAERN CCn1cncc1CC[C@H](C)O 85184555 572687741 /nfs/dbraw/zinc/68/77/41/572687741.db2.gz KGQNPHXOHQYSFQ-QMMMGPOBSA-N 0 0 168.240 1.216 10 0 ADAERN COCCCNc1ccc(N)cc1N 66153356 572687775 /nfs/dbraw/zinc/68/77/75/572687775.db2.gz HUXPQEIPMDATTM-UHFFFAOYSA-N 0 0 195.266 1.299 10 0 ADAERN C[C@@](F)(CO)COc1ccccc1 238408366 572687821 /nfs/dbraw/zinc/68/78/21/572687821.db2.gz DPRZLUQBBBSTGQ-SNVBAGLBSA-N 0 0 184.210 1.786 10 0 ADAERN Cc1ccc(NCCCO)cc1F 48694241 572687828 /nfs/dbraw/zinc/68/78/28/572687828.db2.gz OVDVBYGCAJYXHH-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN CCSCCn1cc(N)ccc1=O 37066063 572687840 /nfs/dbraw/zinc/68/78/40/572687840.db2.gz PTOWUXVHEOUDBM-UHFFFAOYSA-N 0 0 198.291 1.184 10 0 ADAERN CCCNc1ccc(N)cc1N 66153311 572687876 /nfs/dbraw/zinc/68/78/76/572687876.db2.gz GTGWMSHBTQPBEZ-UHFFFAOYSA-N 0 0 165.240 1.673 10 0 ADAERN CCc1ccc(OCCOC)c(N)c1 66140774 572687889 /nfs/dbraw/zinc/68/78/89/572687889.db2.gz AFRIZDFFEIKIQF-UHFFFAOYSA-N 0 0 195.262 1.856 10 0 ADAERN COc1cccc(NC(C)=O)c1C=O 214713091 572687898 /nfs/dbraw/zinc/68/78/98/572687898.db2.gz YDESHXFJHXSWAG-UHFFFAOYSA-N 0 0 193.202 1.466 10 0 ADAERN CO[C@H](C)CC[C@H](O)[C@H]1CCOC1 252984954 572687938 /nfs/dbraw/zinc/68/79/38/572687938.db2.gz IQGLUZNPFJNFPN-UTLUCORTSA-N 0 0 188.267 1.199 10 0 ADAERN Cc1cc(-c2nnc(CN)o2)c(C)o1 48694620 572687953 /nfs/dbraw/zinc/68/79/53/572687953.db2.gz BOYOQQYZAWQPRR-UHFFFAOYSA-N 0 0 193.206 1.405 10 0 ADAERN CC[C@H](C)N(CC)c1cncc(N)n1 87724730 572687960 /nfs/dbraw/zinc/68/79/60/572687960.db2.gz GLADWRDFEMNCSV-QMMMGPOBSA-N 0 0 194.282 1.684 10 0 ADAERN CCCN(CCC)c1cncc(N)n1 87724583 572687992 /nfs/dbraw/zinc/68/79/92/572687992.db2.gz DHVBMZIEPTZWKX-UHFFFAOYSA-N 0 0 194.282 1.685 10 0 ADAERN CN(CC1CC1)c1ccc(C=O)cn1 87717665 572688044 /nfs/dbraw/zinc/68/80/44/572688044.db2.gz CGQGUUPRQCVBJU-UHFFFAOYSA-N 0 0 190.246 1.740 10 0 ADAERN Cc1cc(F)ccc1NCCCO 48694750 572688051 /nfs/dbraw/zinc/68/80/51/572688051.db2.gz MPSXKQRBMGIQGY-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN CC[C@H](CO)Nc1ccc(N)cc1N 66153370 572688054 /nfs/dbraw/zinc/68/80/54/572688054.db2.gz RXDLAQMKISDALH-MRVPVSSYSA-N 0 0 195.266 1.034 10 0 ADAERN CC(C)OCCC[C@H](O)C(C)(C)O 689501377 572688171 /nfs/dbraw/zinc/68/81/71/572688171.db2.gz AURLIPGWOAVCQH-VIFPVBQESA-N 0 0 190.283 1.323 10 0 ADAERN C[C@@H](NN(C)C)[C@@H](O)c1ccccc1 238408529 572688201 /nfs/dbraw/zinc/68/82/01/572688201.db2.gz VRAAWMOLGOBDEC-MWLCHTKSSA-N 0 0 194.278 1.175 10 0 ADAERN CC(=O)Nc1ccc(C)c(C=O)c1O 214713391 572688292 /nfs/dbraw/zinc/68/82/92/572688292.db2.gz GFXXKDMYROAOHL-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN C/C=C(\C)C(=O)NOCC(C)C 116449117 572688302 /nfs/dbraw/zinc/68/83/02/572688302.db2.gz SSWPNFPZWSKLPB-VMPITWQZSA-N 0 0 171.240 1.656 10 0 ADAERN COc1cccc(/C=C\C(N)=S)c1 74413449 572688354 /nfs/dbraw/zinc/68/83/54/572688354.db2.gz MDXNZNVQEMETAZ-WAYWQWQTSA-N 0 0 193.271 1.995 10 0 ADAERN CCCC1([C@H](O)C(=O)OC)CC1 116379035 572688379 /nfs/dbraw/zinc/68/83/79/572688379.db2.gz FOUZDRVOKVLTMW-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN CC(C)OCCC[C@@H](O)C(C)(C)O 689501376 572688385 /nfs/dbraw/zinc/68/83/85/572688385.db2.gz AURLIPGWOAVCQH-SECBINFHSA-N 0 0 190.283 1.323 10 0 ADAERN OCCCSc1ccc(CO)cn1 87720518 572688387 /nfs/dbraw/zinc/68/83/87/572688387.db2.gz WROBGHMGSGSHQD-UHFFFAOYSA-N 0 0 199.275 1.048 10 0 ADAERN OC/C=C/C=C\Br 116425653 572688412 /nfs/dbraw/zinc/68/84/12/572688412.db2.gz QTMVYYCJLZDPHL-TZFCGSKZSA-N 0 0 163.014 1.444 10 0 ADAERN CCn1cc(C(=O)c2ccco2)cn1 54445631 572688438 /nfs/dbraw/zinc/68/84/38/572688438.db2.gz GFPZULYAMNOOKW-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN C[C@@H](N)c1nnc(N[C@@H]2CC2(C)C)o1 235205695 572688447 /nfs/dbraw/zinc/68/84/47/572688447.db2.gz RKKNCEGCFOOGFB-PHDIDXHHSA-N 0 0 196.254 1.300 10 0 ADAERN CCN(CC1CC1)c1cncc(N)n1 87725082 572688465 /nfs/dbraw/zinc/68/84/65/572688465.db2.gz UJKKQGXLAYWZRD-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CCC[C@H](O)c1cncn1CC 85185000 572688484 /nfs/dbraw/zinc/68/84/84/572688484.db2.gz KHUQCGVFTYBDHM-VIFPVBQESA-N 0 0 168.240 1.737 10 0 ADAERN CC(C)OCCOc1cccc(N)n1 87731664 572688557 /nfs/dbraw/zinc/68/85/57/572688557.db2.gz KHTBYFGOSJFSRM-UHFFFAOYSA-N 0 0 196.250 1.468 10 0 ADAERN COCCc1ncc(C)c(N(C)C)n1 713461924 572688640 /nfs/dbraw/zinc/68/86/40/572688640.db2.gz UINKABVBTVIIRE-UHFFFAOYSA-N 0 0 195.266 1.040 10 0 ADAERN CC[C@@]([NH2+]C)(C(=O)[O-])c1ccccc1 37180684 572688646 /nfs/dbraw/zinc/68/86/46/572688646.db2.gz YCZWAOYQDQFJSD-NSHDSACASA-N 0 0 193.246 1.596 10 0 biogenic ADAERN CC(=O)Nc1cc(C=O)cc(O)c1C 214713833 572688653 /nfs/dbraw/zinc/68/86/53/572688653.db2.gz AYRDGAGPQRTIEW-UHFFFAOYSA-N 0 0 193.202 1.472 10 0 ADAERN CSC1(CNc2nc(C)no2)CC1 235206663 572688660 /nfs/dbraw/zinc/68/86/60/572688660.db2.gz GCMVCXWYZAPDAM-UHFFFAOYSA-N 0 0 199.279 1.686 10 0 ADAERN CCn1cc([C@H](O)c2ccco2)cn1 54445723 572688697 /nfs/dbraw/zinc/68/86/97/572688697.db2.gz HHHUCLFKVNPKIV-JTQLQIEISA-N 0 0 192.218 1.578 10 0 ADAERN CC(C)Nc1ccc(N)cc1N 66153305 572688706 /nfs/dbraw/zinc/68/87/06/572688706.db2.gz RDWUQBPQRYNVAW-UHFFFAOYSA-N 0 0 165.240 1.671 10 0 ADAERN C=C/C=C\CCn1nc(C)n(C)c1=O 713733365 572688713 /nfs/dbraw/zinc/68/87/13/572688713.db2.gz XEXBUBVFMZJCHI-WAYWQWQTSA-N 0 0 193.250 1.023 10 0 ADAERN CCOCCOc1ccc(N)c(N)c1 66153852 572688851 /nfs/dbraw/zinc/68/88/51/572688851.db2.gz XWTAVSTZHGDWTP-UHFFFAOYSA-N 0 0 196.250 1.266 10 0 ADAERN CCCc1n[nH]c(C)c1CO 66135287 572688868 /nfs/dbraw/zinc/68/88/68/572688868.db2.gz GAZGIEXYTSVYRI-UHFFFAOYSA-N 0 0 154.213 1.163 10 0 ADAERN Nc1ccc(N2CCCC2)c(N)c1 66153297 572688947 /nfs/dbraw/zinc/68/89/47/572688947.db2.gz RYRUIXQCOOVAGG-UHFFFAOYSA-N 0 0 177.251 1.451 10 0 ADAERN CC(C)C(C)(C)Cn1cnc(N)n1 307089785 572688997 /nfs/dbraw/zinc/68/89/97/572688997.db2.gz VONUVZRQUAAZIP-UHFFFAOYSA-N 0 0 182.271 1.543 10 0 ADAERN CC(C)C[C@@H](C)Oc1cncc(N)n1 87725218 572689049 /nfs/dbraw/zinc/68/90/49/572689049.db2.gz QXZGAZPYTZPJDE-MRVPVSSYSA-N 0 0 195.266 1.872 10 0 ADAERN CC[C@]([NH2+]C)(C(=O)[O-])c1ccccc1 37180681 572689069 /nfs/dbraw/zinc/68/90/69/572689069.db2.gz YCZWAOYQDQFJSD-LLVKDONJSA-N 0 0 193.246 1.596 10 0 biogenic ADAERN CCOC(=O)N1C[C@H]2CC(=O)C[C@H]2C1 117478966 572689074 /nfs/dbraw/zinc/68/90/74/572689074.db2.gz DIEGYGAAARSLDF-OCAPTIKFSA-N 0 0 197.234 1.054 10 0 ADAERN O=C([O-])CCC[NH2+]CC1(C2CC2)CC1 236424844 572692214 /nfs/dbraw/zinc/69/22/14/572692214.db2.gz BZFVVVJAPYLBCH-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN CCOCC(=O)[C@H]1CCCCS1 87701938 572689116 /nfs/dbraw/zinc/68/91/16/572689116.db2.gz YRYXBGMVUZVALT-SECBINFHSA-N 0 0 188.292 1.878 10 0 ADAERN C=C/C=C/CCn1nc(C)n(C)c1=O 713733363 572689122 /nfs/dbraw/zinc/68/91/22/572689122.db2.gz XEXBUBVFMZJCHI-AATRIKPKSA-N 0 0 193.250 1.023 10 0 ADAERN CC(C)[C@@H]1C[C@H](C(=O)[O-])[C@@H](C)[N@H+](C)C1 253485893 572691246 /nfs/dbraw/zinc/69/12/46/572691246.db2.gz SIEYFMQGENDSPB-BBBLOLIVSA-N 0 0 199.294 1.683 10 0 ADAERN C[C@H](c1ccccc1)n1nncc1N 713462089 572689182 /nfs/dbraw/zinc/68/91/82/572689182.db2.gz HAORWZFPHIOAPJ-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN CCCN(C)c1ccc(C=O)cn1 87717509 572689211 /nfs/dbraw/zinc/68/92/11/572689211.db2.gz IAVFRYNTRDNICZ-UHFFFAOYSA-N 0 0 178.235 1.740 10 0 ADAERN CCCOCCC1(O)CC1 54436015 572689228 /nfs/dbraw/zinc/68/92/28/572689228.db2.gz IZEHMKSNPLUNEF-UHFFFAOYSA-N 0 0 144.214 1.328 10 0 ADAERN CCCCCc1n[nH]c(C)c1CO 66135515 572689229 /nfs/dbraw/zinc/68/92/29/572689229.db2.gz GUPNCMAGVNKCAL-UHFFFAOYSA-N 0 0 182.267 1.943 10 0 ADAERN CCOCCOc1ccc(N)cc1N 66141003 572689247 /nfs/dbraw/zinc/68/92/47/572689247.db2.gz CCCBFBOWUNCDPD-UHFFFAOYSA-N 0 0 196.250 1.266 10 0 ADAERN CCn1cncc1CC[C@@H](C)O 85184554 572689266 /nfs/dbraw/zinc/68/92/66/572689266.db2.gz KGQNPHXOHQYSFQ-MRVPVSSYSA-N 0 0 168.240 1.216 10 0 ADAERN CCCN(c1cncc(N)n1)C1CC1 87724743 572689328 /nfs/dbraw/zinc/68/93/28/572689328.db2.gz HJRVYDSWHZSRDN-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN CCCN(c1cncc(N)n1)C(C)C 87724742 572689335 /nfs/dbraw/zinc/68/93/35/572689335.db2.gz XOOMORXLVZZDOO-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN CCOCC(=O)[C@@H]1CCCCS1 87701936 572689385 /nfs/dbraw/zinc/68/93/85/572689385.db2.gz YRYXBGMVUZVALT-VIFPVBQESA-N 0 0 188.292 1.878 10 0 ADAERN C[C@H](O)C[C@@H](C)N[C@H](C)C(F)F 299895988 572689423 /nfs/dbraw/zinc/68/94/23/572689423.db2.gz KVUGKNJLQCBKEP-DSYKOEDSSA-N 0 0 181.226 1.389 10 0 ADAERN CCO[C@H]1CN=C2C(Cl)=NC=CN21 70461061 572691271 /nfs/dbraw/zinc/69/12/71/572691271.db2.gz IXWVGMPAHDTHJW-LURJTMIESA-N 0 0 199.641 1.185 10 0 ADAERN CC[C@@H](C)N(CC)c1cncc(N)n1 87724728 572689517 /nfs/dbraw/zinc/68/95/17/572689517.db2.gz GLADWRDFEMNCSV-MRVPVSSYSA-N 0 0 194.282 1.684 10 0 ADAERN CC[C@@H](C)[C@H]1NC(=O)N(C2CC2)C1=O 54457402 572689521 /nfs/dbraw/zinc/68/95/21/572689521.db2.gz BXJAIEJNSNQGEO-HTRCEHHLSA-N 0 0 196.250 1.115 10 0 ADAERN CCN(CC(C)C)c1cncc(N)n1 87724725 572689563 /nfs/dbraw/zinc/68/95/63/572689563.db2.gz OHYYCNWKYRVSAJ-UHFFFAOYSA-N 0 0 194.282 1.541 10 0 ADAERN CCOC(=O)N1C[C@H]2CC(=O)C[C@@H]2C1 117478969 572689568 /nfs/dbraw/zinc/68/95/68/572689568.db2.gz DIEGYGAAARSLDF-HTQZYQBOSA-N 0 0 197.234 1.054 10 0 ADAERN CC(C)COc1ccc(N)cc1N 66140995 572689635 /nfs/dbraw/zinc/68/96/35/572689635.db2.gz XPNYVXDENRTVSS-UHFFFAOYSA-N 0 0 180.251 1.886 10 0 ADAERN 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NKGMNQKOSAUZIO-GIFBTCQVSA-N 0 0 156.225 1.252 10 0 ADAERN CC[C@H]1CCCC[C@]1(C(=O)[O-])[NH+](C)C 70568869 572704788 /nfs/dbraw/zinc/70/47/88/572704788.db2.gz YCRUILRGYGDTLU-ONGXEEELSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)C[C@@](C)(O)Cn1cnnc1 85230246 572704826 /nfs/dbraw/zinc/70/48/26/572704826.db2.gz YUUBMZTWQFWSHT-SECBINFHSA-N 0 0 183.255 1.075 10 0 ADAERN C/C=C(/CC)[C@H](C)NC(C)=O 307875092 572704829 /nfs/dbraw/zinc/70/48/29/572704829.db2.gz ZSEKYGOSFCDURV-VYVBZAQUSA-N 0 0 155.241 1.867 10 0 ADAERN C[C@@H]1CCO[C@H](CCCCO)O1 238433661 572704934 /nfs/dbraw/zinc/70/49/34/572704934.db2.gz SRFLPHDZJQOADQ-BDAKNGLRSA-N 0 0 174.240 1.301 10 0 ADAERN COC[C@H](C(C)C)n1cncc1C=O 85195171 572704905 /nfs/dbraw/zinc/70/49/05/572704905.db2.gz QMBKKDWBDKOMFR-SNVBAGLBSA-N 0 0 196.250 1.539 10 0 ADAERN COc1ncccc1CNCCF 87774795 572704940 /nfs/dbraw/zinc/70/49/40/572704940.db2.gz RLQPJLCDSAYPLV-UHFFFAOYSA-N 0 0 184.214 1.149 10 0 ADAERN OCCCCOc1cncc(F)c1 308095183 572704955 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LPKWPIWODXTQFI-YUMQZZPRSA-N 0 0 189.230 1.046 10 0 ADAERN Nc1cccc(NCc2ncc[nH]2)c1 70621784 572712224 /nfs/dbraw/zinc/71/22/24/572712224.db2.gz HCSMWAZOGMBYKJ-UHFFFAOYSA-N 0 0 188.234 1.604 10 0 ADAERN CC(C)(C)[N@H+](CCF)CC(=O)[O-] 87776428 572712225 /nfs/dbraw/zinc/71/22/25/572712225.db2.gz JGXVIPWSKWXRCH-UHFFFAOYSA-N 0 0 177.219 1.141 10 0 ADAERN CCN[C@@H](C(F)F)C(C)(C)OC 307880676 572712268 /nfs/dbraw/zinc/71/22/68/572712268.db2.gz OJBHHJHQWPEMRO-LURJTMIESA-N 0 0 181.226 1.655 10 0 ADAERN C1=COC=CCc2[nH]cnc2C1 307880744 572712336 /nfs/dbraw/zinc/71/23/36/572712336.db2.gz OUKFCWMEUKAMDB-UHFFFAOYSA-N 0 0 162.192 1.552 10 0 ADAERN C[C@@H]([NH3+])Cc1ccccc1CC(=O)[O-] 238435075 572712349 /nfs/dbraw/zinc/71/23/49/572712349.db2.gz AHSCFWUJQBWBDD-MRVPVSSYSA-N 0 0 193.246 1.203 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1csnn1 308097891 572712463 /nfs/dbraw/zinc/71/24/63/572712463.db2.gz FACAHBOOXLHKPO-POYBYMJQSA-N 0 0 186.280 1.488 10 0 ADAERN C[C@H](CCO)OC(=O)C(C)(C)C 238434963 572712530 /nfs/dbraw/zinc/71/25/30/572712530.db2.gz ZOAHNHAPDNVFRM-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN CC(C)C[C@@H]1C[C@@]1(C[NH3+])C(=O)[O-] 21991225 572712555 /nfs/dbraw/zinc/71/25/55/572712555.db2.gz IMFRRAFTPZOUDL-APPZFPTMSA-N 0 0 171.240 1.082 10 0 ADAERN Cc1ccc(OCCF)c(CO)c1 87775996 572712566 /nfs/dbraw/zinc/71/25/66/572712566.db2.gz CWHREPOXXKWMBD-UHFFFAOYSA-N 0 0 184.210 1.836 10 0 ADAERN CC[N@H+](CCF)C(C)(C)C(=O)[O-] 87776336 572712607 /nfs/dbraw/zinc/71/26/07/572712607.db2.gz MIYVNDDBJOJFAI-UHFFFAOYSA-N 0 0 177.219 1.141 10 0 ADAERN CC[N@H+](CCF)[C@H](C)CC(=O)[O-] 87776338 572712634 /nfs/dbraw/zinc/71/26/34/572712634.db2.gz ZBJNRJGPPVVTTP-SSDOTTSWSA-N 0 0 177.219 1.141 10 0 ADAERN OCCSCOC1CCCC1 307880404 572712664 /nfs/dbraw/zinc/71/26/64/572712664.db2.gz QGUYDSPCSHQQDY-UHFFFAOYSA-N 0 0 176.281 1.629 10 0 ADAERN CC/C(=C\C[NH+]1CCC1)C(=O)[O-] 308097878 572712793 /nfs/dbraw/zinc/71/27/93/572712793.db2.gz DZWLHDYAICNVPV-XBXARRHUSA-N 0 0 169.224 1.113 10 0 ADAERN CC[C@@H]1CCC(=O)N(C[C@@H]2CO2)CC1 70611713 572712893 /nfs/dbraw/zinc/71/28/93/572712893.db2.gz RREVMMCFKMFRIY-NXEZZACHSA-N 0 0 197.278 1.424 10 0 ADAERN C/C=C\C(=O)OC[C@@H](F)CC 307876345 572712903 /nfs/dbraw/zinc/71/29/03/572712903.db2.gz OCNMWALNDIVULF-GLCRXLCDSA-N 0 0 160.188 1.854 10 0 ADAERN COC(=O)[C@H](CC(C)C)NCCF 87774989 572712924 /nfs/dbraw/zinc/71/29/24/572712924.db2.gz BBSXTRHSNLIWJA-QMMMGPOBSA-N 0 0 191.246 1.133 10 0 ADAERN Cc1cc(CO)c(C2CC2)o1 77082419 572712925 /nfs/dbraw/zinc/71/29/25/572712925.db2.gz KEYLHFBBLANSHM-UHFFFAOYSA-N 0 0 152.193 1.958 10 0 ADAERN CN(CCF)Cc1ccccc1N 87775878 572713057 /nfs/dbraw/zinc/71/30/57/572713057.db2.gz ZOSZVCPXONFTGD-UHFFFAOYSA-N 0 0 182.242 1.670 10 0 ADAERN NC(=S)c1ccccc1OCCF 87775516 572713072 /nfs/dbraw/zinc/71/30/72/572713072.db2.gz IPMRBMHLMNPMOD-UHFFFAOYSA-N 0 0 199.250 1.669 10 0 ADAERN COc1cccc(C=O)c1OCCF 87775594 572713096 /nfs/dbraw/zinc/71/30/96/572713096.db2.gz ZHEYTFLVCMKCDO-UHFFFAOYSA-N 0 0 198.193 1.856 10 0 ADAERN CC[C@@](N)(COC)C(F)(F)F 70624902 572713101 /nfs/dbraw/zinc/71/31/01/572713101.db2.gz OXGQRSAHBPDXSX-RXMQYKEDSA-N 0 0 171.162 1.303 10 0 ADAERN Cc1ccc(OCCF)c(CO)n1 87776001 572713116 /nfs/dbraw/zinc/71/31/16/572713116.db2.gz MGKGLCTZTOCPSJ-UHFFFAOYSA-N 0 0 185.198 1.231 10 0 ADAERN CCc1noc(-c2ccncc2N)n1 70623458 572713151 /nfs/dbraw/zinc/71/31/51/572713151.db2.gz QZACMHNIGNTUFV-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CCCCCN(CCO)OC 307879741 572713217 /nfs/dbraw/zinc/71/32/17/572713217.db2.gz PUBQNSQAVHDMQK-UHFFFAOYSA-N 0 0 161.245 1.032 10 0 ADAERN CC(=O)[C@@H](C)[C@H](O)Cc1ccoc1 238435056 572713235 /nfs/dbraw/zinc/71/32/35/572713235.db2.gz SASCFKVMPIWKNW-GMSGAONNSA-N 0 0 182.219 1.408 10 0 ADAERN [NH3+]/C(=C\c1cccc(Cl)c1)C(=O)[O-] 308097764 572713416 /nfs/dbraw/zinc/71/34/16/572713416.db2.gz BQIQHVKIZDVAEG-YVMONPNESA-N 0 0 197.621 1.724 10 0 ADAERN C[C@H](CCO)[C@@H](C)C(=S)N(C)C 238435190 572713430 /nfs/dbraw/zinc/71/34/30/572713430.db2.gz QTZLWJOXROEGAH-HTQZYQBOSA-N 0 0 189.324 1.530 10 0 ADAERN CN=c1ssnc1Cl 254302093 572713487 /nfs/dbraw/zinc/71/34/87/572713487.db2.gz WGBJQKNSQLFXKA-UHFFFAOYSA-N 0 0 166.658 1.389 10 0 ADAERN CC[C@@H](C(=O)OC)C(=O)C(C)C 21992014 572713789 /nfs/dbraw/zinc/71/37/89/572713789.db2.gz LCIUSDMYWJMYBQ-SSDOTTSWSA-N 0 0 172.224 1.411 10 0 ADAERN C/C=C/C(=O)OC[C@H](F)CC 307876349 572713852 /nfs/dbraw/zinc/71/38/52/572713852.db2.gz OCNMWALNDIVULF-OHCKJTPYSA-N 0 0 160.188 1.854 10 0 ADAERN CC[C@](N)(COC)C(F)(F)F 70624903 572713856 /nfs/dbraw/zinc/71/38/56/572713856.db2.gz OXGQRSAHBPDXSX-YFKPBYRVSA-N 0 0 171.162 1.303 10 0 ADAERN C=CS(=O)(=O)N(CC)CC(C)C 308097622 572713872 /nfs/dbraw/zinc/71/38/72/572713872.db2.gz DVYFFYZLLOPQMY-UHFFFAOYSA-N 0 0 191.296 1.438 10 0 ADAERN CCc1noc(-c2ccnc(N)c2)n1 70623530 572713959 /nfs/dbraw/zinc/71/39/59/572713959.db2.gz RCWAHOMVEZJKRI-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CCCC(=O)N(C)CCOC(C)C 87782736 572713971 /nfs/dbraw/zinc/71/39/71/572713971.db2.gz WGIZTEWCRQRHRA-UHFFFAOYSA-N 0 0 187.283 1.670 10 0 ADAERN [NH3+]CCC[C@H](C/C=C/Cl)C(=O)[O-] 236171684 572713972 /nfs/dbraw/zinc/71/39/72/572713972.db2.gz QBXYXQNBGSBHNB-QWJBODLLSA-N 0 0 191.658 1.569 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1csnn1 308097901 572714014 /nfs/dbraw/zinc/71/40/14/572714014.db2.gz FACAHBOOXLHKPO-XPUUQOCRSA-N 0 0 186.280 1.488 10 0 ADAERN CCOC(=O)N(C)CCOC(C)C 87782774 572714026 /nfs/dbraw/zinc/71/40/26/572714026.db2.gz SQNPOMAXMOFYSV-UHFFFAOYSA-N 0 0 189.255 1.500 10 0 ADAERN O=C(CCC1CC1)c1cn[nH]c1 308097597 572714065 /nfs/dbraw/zinc/71/40/65/572714065.db2.gz DUHVKNNGJZOQMC-UHFFFAOYSA-N 0 0 164.208 1.783 10 0 ADAERN CC[C@@H]1CCC(=O)N(CCO)CC1 70611757 572714087 /nfs/dbraw/zinc/71/40/87/572714087.db2.gz GAQMBDLCMRLGHK-SECBINFHSA-N 0 0 185.267 1.017 10 0 ADAERN CC(C)[C@@H](O)CCc1cnns1 308097165 572714128 /nfs/dbraw/zinc/71/41/28/572714128.db2.gz DNSIFVHXUNIPGX-QMMMGPOBSA-N 0 0 186.280 1.488 10 0 ADAERN Nc1cccc(CC(=O)OCCF)c1 87776920 572714223 /nfs/dbraw/zinc/71/42/23/572714223.db2.gz OYMJRHMZRMPHEK-UHFFFAOYSA-N 0 0 197.209 1.324 10 0 ADAERN CC[C@H]1CCC(=O)N(C[C@@H]2CO2)CC1 70611714 572714344 /nfs/dbraw/zinc/71/43/44/572714344.db2.gz RREVMMCFKMFRIY-VHSXEESVSA-N 0 0 197.278 1.424 10 0 ADAERN C/C=C/C[N@@H+]1CCC[C@]1(C)C(=O)[O-] 70618195 572714386 /nfs/dbraw/zinc/71/43/86/572714386.db2.gz UTTYOORKRCPGOX-HMDXOVGESA-N 0 0 183.251 1.502 10 0 ADAERN CCC(=O)N(C)CCOC(C)C 87782732 572714436 /nfs/dbraw/zinc/71/44/36/572714436.db2.gz NYSJVNFOGUYDHJ-UHFFFAOYSA-N 0 0 173.256 1.280 10 0 ADAERN CCONCC1(SC)CCC1 307878307 572714494 /nfs/dbraw/zinc/71/44/94/572714494.db2.gz PDTCLEOWHANCSZ-UHFFFAOYSA-N 0 0 175.297 1.813 10 0 ADAERN O[C@H]1CCC=C[C@@]1(O)c1ccccc1 21995576 572714532 /nfs/dbraw/zinc/71/45/32/572714532.db2.gz AWWKIXMFIIWCQS-NWDGAFQWSA-N 0 0 190.242 1.585 10 0 ADAERN CN(CCCO)C/C(Cl)=C\Cl 307878406 572714537 /nfs/dbraw/zinc/71/45/37/572714537.db2.gz PLVOSURAUOXUFH-FNORWQNLSA-N 0 0 198.093 1.620 10 0 ADAERN CCC(=O)c1cnn(CCF)c1 87777098 572714610 /nfs/dbraw/zinc/71/46/10/572714610.db2.gz VSIARUIYQGBZCO-UHFFFAOYSA-N 0 0 170.187 1.445 10 0 ADAERN C[C@@H](O)Cc1nc([C@@H]2CC2(C)C)no1 235226949 572714651 /nfs/dbraw/zinc/71/46/51/572714651.db2.gz CETWBJIGRKCXMB-RQJHMYQMSA-N 0 0 196.250 1.506 10 0 ADAERN CC(C)OCCN(C)C(=O)C(C)C 87782730 572714703 /nfs/dbraw/zinc/71/47/03/572714703.db2.gz TVTSHMNBOYDAFK-UHFFFAOYSA-N 0 0 187.283 1.526 10 0 ADAERN C[C@@H](O)Cc1nc([C@H]2CC2(C)C)no1 235227098 572714742 /nfs/dbraw/zinc/71/47/42/572714742.db2.gz CETWBJIGRKCXMB-RNFRBKRXSA-N 0 0 196.250 1.506 10 0 ADAERN CC[C@H](O)c1cnn(CCF)c1 87777167 572714763 /nfs/dbraw/zinc/71/47/63/572714763.db2.gz SBVYRTZYXXWVPL-QMMMGPOBSA-N 0 0 172.203 1.296 10 0 ADAERN Nc1ccccc1CC(=O)OCCF 87776891 572714878 /nfs/dbraw/zinc/71/48/78/572714878.db2.gz ZQTZHEYKQNHASK-UHFFFAOYSA-N 0 0 197.209 1.324 10 0 ADAERN CC(C)OCCN(C)C(=O)C1CC1 87782751 572714885 /nfs/dbraw/zinc/71/48/85/572714885.db2.gz FFXDUDZKRLTKGX-UHFFFAOYSA-N 0 0 185.267 1.280 10 0 ADAERN CC(=O)[C@H](C)CCC[C@@H](C)O 307877264 572714927 /nfs/dbraw/zinc/71/49/27/572714927.db2.gz ORSDZQUJWINICR-HTQZYQBOSA-N 0 0 158.241 1.763 10 0 ADAERN C[C@H](CC(=O)[O-])C[C@H](C)[C@@H](C)[NH3+] 307877861 572714955 /nfs/dbraw/zinc/71/49/55/572714955.db2.gz BJFKNDMOPKMQPC-BIIVOSGPSA-N 0 0 173.256 1.471 10 0 ADAERN CC/C=C\CC[C@H](O)[C@H](C)O 307877749 572714990 /nfs/dbraw/zinc/71/49/90/572714990.db2.gz ORLDVSNPWMNJAH-NSVKDGAOSA-N 0 0 158.241 1.475 10 0 ADAERN CC(=O)[C@H](CO)CC[C@@H](C)C(C)=O 238437049 572715100 /nfs/dbraw/zinc/71/51/00/572715100.db2.gz DPGKXGCMWRRMMV-XCBNKYQSSA-N 0 0 186.251 1.189 10 0 ADAERN C[C@H](C(=S)N(C)C)[C@H](C)CCO 238435501 572715126 /nfs/dbraw/zinc/71/51/26/572715126.db2.gz QTZLWJOXROEGAH-SFYZADRCSA-N 0 0 189.324 1.530 10 0 ADAERN C[C@H](CC(=O)[O-])C[C@H](C)[C@H](C)[NH3+] 307877869 572715238 /nfs/dbraw/zinc/71/52/38/572715238.db2.gz BJFKNDMOPKMQPC-FXQIFTODSA-N 0 0 173.256 1.471 10 0 ADAERN Cc1ncnc(N)c1C(C)C 61687251 572715181 /nfs/dbraw/zinc/71/51/81/572715181.db2.gz NZMASJUCRPFAQB-UHFFFAOYSA-N 0 0 151.213 1.491 10 0 ADAERN CC(=O)[C@@H](C)CCC[C@H](C)O 307877968 572715216 /nfs/dbraw/zinc/71/52/16/572715216.db2.gz ORSDZQUJWINICR-YUMQZZPRSA-N 0 0 158.241 1.763 10 0 ADAERN Cc1ccnn1Cc1cccc(N)c1 70629327 572715275 /nfs/dbraw/zinc/71/52/75/572715275.db2.gz GEIJGPUILSQBRM-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN CCC[C@@H](O)[C@H](C)CCCO 307878300 572715301 /nfs/dbraw/zinc/71/53/01/572715301.db2.gz PDALKSQAJCNZKD-RKDXNWHRSA-N 0 0 160.257 1.556 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[NH2+]Cc1ccoc1 236435823 572715342 /nfs/dbraw/zinc/71/53/42/572715342.db2.gz RNECLUQQZHEAKP-BDAKNGLRSA-N 0 0 195.218 1.232 10 0 ADAERN CCc1c(-c2c[nH]nc2C)noc1N 70630664 572715394 /nfs/dbraw/zinc/71/53/94/572715394.db2.gz IOAKEWOTNHDRBY-UHFFFAOYSA-N 0 0 192.222 1.518 10 0 ADAERN CN(C)NCCSC(C)(C)C 307877619 572715397 /nfs/dbraw/zinc/71/53/97/572715397.db2.gz OGUFHACOIPSJMC-UHFFFAOYSA-N 0 0 176.329 1.584 10 0 ADAERN O[C@H]1CCC=C[C@]1(O)c1ccccc1 21995583 572715510 /nfs/dbraw/zinc/71/55/10/572715510.db2.gz AWWKIXMFIIWCQS-RYUDHWBXSA-N 0 0 190.242 1.585 10 0 ADAERN CCC(CC)OC[C@@H](C)CO 307881105 572715592 /nfs/dbraw/zinc/71/55/92/572715592.db2.gz QSMUHRILIBUIOG-QMMMGPOBSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@H](CO)[C@@H](C)C(=O)C(C)(C)C 238435342 572715615 /nfs/dbraw/zinc/71/56/15/572715615.db2.gz XYDQJVJNZTYBKN-HTQZYQBOSA-N 0 0 172.268 1.866 10 0 ADAERN Cc1ccn(Cc2ccnc(N)c2)n1 70629952 572715653 /nfs/dbraw/zinc/71/56/53/572715653.db2.gz OYIQMURLTITFGN-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN C[C@H](CC(=O)[O-])C[C@@H](C)[C@@H](C)[NH3+] 307877881 572715658 /nfs/dbraw/zinc/71/56/58/572715658.db2.gz BJFKNDMOPKMQPC-XLPZGREQSA-N 0 0 173.256 1.471 10 0 ADAERN Nc1ccc(C(=O)OCCF)cc1 87776876 572715662 /nfs/dbraw/zinc/71/56/62/572715662.db2.gz OHBOOUGOHWPTFP-UHFFFAOYSA-N 0 0 183.182 1.395 10 0 ADAERN C[C@H](O)CC[C@H](O)c1ccco1 238435339 572715722 /nfs/dbraw/zinc/71/57/22/572715722.db2.gz FPZRMMRHSWVWHJ-YUMQZZPRSA-N 0 0 170.208 1.474 10 0 ADAERN Cc1ccc(C(=O)OCCF)cc1N 87776888 572715761 /nfs/dbraw/zinc/71/57/61/572715761.db2.gz FPMZUNHSYXXQIR-UHFFFAOYSA-N 0 0 197.209 1.704 10 0 ADAERN Cc1ccnn1Cc1ccc(N)nc1 70629963 572715781 /nfs/dbraw/zinc/71/57/81/572715781.db2.gz XVGAOOHYEBLIJE-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN O=c1[nH]c2ccccc2c2c[nH]nc12 196920557 572715977 /nfs/dbraw/zinc/71/59/77/572715977.db2.gz QMYVMJLZNHCGEZ-UHFFFAOYSA-N 0 0 185.186 1.404 10 0 ADAERN Cc1ccc(N)cc1C(=O)OCCF 87776899 572715997 /nfs/dbraw/zinc/71/59/97/572715997.db2.gz XXRZANJCJLAQIS-UHFFFAOYSA-N 0 0 197.209 1.704 10 0 ADAERN CC(=O)[C@H](C)CCC[C@H](C)O 307877967 572716001 /nfs/dbraw/zinc/71/60/01/572716001.db2.gz ORSDZQUJWINICR-SFYZADRCSA-N 0 0 158.241 1.763 10 0 ADAERN Cc1n[nH]cc1-c1nn(C)c(N)c1C 70630655 572716047 /nfs/dbraw/zinc/71/60/47/572716047.db2.gz UEBYIFWKRDWKCA-UHFFFAOYSA-N 0 0 191.238 1.009 10 0 ADAERN O[C@@H]1CCC=C[C@]1(O)c1ccccc1 21995579 572716255 /nfs/dbraw/zinc/71/62/55/572716255.db2.gz AWWKIXMFIIWCQS-NEPJUHHUSA-N 0 0 190.242 1.585 10 0 ADAERN CC[C@@H](O)[C@@H]1O[C@H]1C(C)(C)C 21989796 572716320 /nfs/dbraw/zinc/71/63/20/572716320.db2.gz IXMGOTDCZZDHOD-GJMOJQLCSA-N 0 0 158.241 1.571 10 0 ADAERN C[C@H](CC(=O)[O-])C[C@@H](C)[C@H](C)[NH3+] 307877876 572716329 /nfs/dbraw/zinc/71/63/29/572716329.db2.gz BJFKNDMOPKMQPC-RNJXMRFFSA-N 0 0 173.256 1.471 10 0 ADAERN CC(=O)[C@@H](C)CCC[C@@H](C)O 307877966 572716408 /nfs/dbraw/zinc/71/64/08/572716408.db2.gz ORSDZQUJWINICR-JGVFFNPUSA-N 0 0 158.241 1.763 10 0 ADAERN Cc1nccc(NCc2ncc[nH]2)n1 70646519 572716428 /nfs/dbraw/zinc/71/64/28/572716428.db2.gz HOUYUEMOGNITAL-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN CCC[C@H](C)Cn1cc(C=O)nn1 85271561 572716432 /nfs/dbraw/zinc/71/64/32/572716432.db2.gz OQYBSXOGHNCEHO-QMMMGPOBSA-N 0 0 181.239 1.527 10 0 ADAERN Nc1ccsc1C(=O)OCCF 87776910 572716487 /nfs/dbraw/zinc/71/64/87/572716487.db2.gz UHMCVNNCUAARPL-UHFFFAOYSA-N 0 0 189.211 1.457 10 0 ADAERN CCC(CC)OC[C@H](C)CO 307881104 572716525 /nfs/dbraw/zinc/71/65/25/572716525.db2.gz QSMUHRILIBUIOG-MRVPVSSYSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@H](O)CC[C@H](O)[C@@H]1CCCCO1 238435304 572716530 /nfs/dbraw/zinc/71/65/30/572716530.db2.gz VJFQCTOIEVMFCK-GUBZILKMSA-N 0 0 188.267 1.077 10 0 ADAERN CCOC(OCC)c1cn(CC)nn1 85271511 572716561 /nfs/dbraw/zinc/71/65/61/572716561.db2.gz WHACYZTVZKWONX-UHFFFAOYSA-N 0 0 199.254 1.370 10 0 ADAERN CC[C@@H](O)[C@H]1O[C@H]1C(C)(C)C 21989799 572716593 /nfs/dbraw/zinc/71/65/93/572716593.db2.gz IXMGOTDCZZDHOD-BWZBUEFSSA-N 0 0 158.241 1.571 10 0 ADAERN CCOC(=O)[C@@H]1N=CO[C@@H]1C(C)(C)C 85273952 572716691 /nfs/dbraw/zinc/71/66/91/572716691.db2.gz FWXWBCPXNJRAOR-SFYZADRCSA-N 0 0 199.250 1.391 10 0 ADAERN CC(=O)[C@@H](CCO)C[C@H]1CCOC1 308098540 572716712 /nfs/dbraw/zinc/71/67/12/572716712.db2.gz CHNOCTWGTIFSEO-ZJUUUORDSA-N 0 0 186.251 1.001 10 0 ADAERN CCOC(=O)[C@@H]1N=CO[C@H]1[C@@H](C)CC 85274171 572716729 /nfs/dbraw/zinc/71/67/29/572716729.db2.gz RHDNFNYCNZOZFS-YIZRAAEISA-N 0 0 199.250 1.391 10 0 ADAERN C/C(CC(C)(C)C)=C1/CC(=O)NC1=O 307625979 572716755 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/nfs/dbraw/zinc/72/25/19/572722519.db2.gz REKWPSPICXBVGV-NFNQMPKISA-N 0 0 189.280 1.098 10 0 ADAERN CC(C)[C@H](S[C@@H](C)C[NH3+])C(=O)[O-] 85300449 572722562 /nfs/dbraw/zinc/72/25/62/572722562.db2.gz YNNMULICMVTSED-BQBZGAKWSA-N 0 0 191.296 1.176 10 0 ADAERN C[C@@H](C[NH3+])S[C@@H](C)CCC(=O)[O-] 85300702 572722592 /nfs/dbraw/zinc/72/25/92/572722592.db2.gz RLOGTPYHHGUZKS-BQBZGAKWSA-N 0 0 191.296 1.320 10 0 ADAERN CC(C)[C@H](SC[C@H](C)[NH3+])C(=O)[O-] 85309156 572722599 /nfs/dbraw/zinc/72/25/99/572722599.db2.gz HUVGEKZSAJDRAG-BQBZGAKWSA-N 0 0 191.296 1.176 10 0 ADAERN C[C@@H](CCC(=O)[O-])S[C@H](C)C[NH3+] 85300707 572722658 /nfs/dbraw/zinc/72/26/58/572722658.db2.gz RLOGTPYHHGUZKS-NKWVEPMBSA-N 0 0 191.296 1.320 10 0 ADAERN C[C@H]1CCC(=O)N(C[C@@H](C)O)CC1 70652694 572722665 /nfs/dbraw/zinc/72/26/65/572722665.db2.gz YEHMUWWXVIYWMT-DTWKUNHWSA-N 0 0 185.267 1.016 10 0 ADAERN C[NH2+][C@H](/C=C\C(=O)[O-])C1CCCCC1 714536055 572722690 /nfs/dbraw/zinc/72/26/90/572722690.db2.gz MDNDIQOJZKAZTQ-GQYWMQPJSA-N 0 0 197.278 1.796 10 0 ADAERN CC1(C)CC[C@@H](O)[C@H](n2cncn2)C1 70654862 572722698 /nfs/dbraw/zinc/72/26/98/572722698.db2.gz GOGWQKGSHBDFGH-RKDXNWHRSA-N 0 0 195.266 1.390 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[NH2+]CCC1CC1 236435048 572722862 /nfs/dbraw/zinc/72/28/62/572722862.db2.gz JGADUCORNOISIS-BDAKNGLRSA-N 0 0 183.251 1.239 10 0 ADAERN C[C@@H](O)c1cnn(CC(F)(F)F)c1 54724284 572722765 /nfs/dbraw/zinc/72/27/65/572722765.db2.gz XIDRIPGPSPZTSH-RXMQYKEDSA-N 0 0 194.156 1.499 10 0 ADAERN CCO[C@H](C)OC[C@H](C)[C@H](C)O 308099931 572722766 /nfs/dbraw/zinc/72/27/66/572722766.db2.gz FXPATXSEAPFQAZ-CIUDSAMLSA-N 0 0 176.256 1.402 10 0 ADAERN CC(C)[C@H](S[C@H](C)C[NH3+])C(=O)[O-] 85300455 572722795 /nfs/dbraw/zinc/72/27/95/572722795.db2.gz YNNMULICMVTSED-RQJHMYQMSA-N 0 0 191.296 1.176 10 0 ADAERN COCCOc1cc(N)cc(F)c1 87800096 572722801 /nfs/dbraw/zinc/72/28/01/572722801.db2.gz XCVYCTLRTMVNMO-UHFFFAOYSA-N 0 0 185.198 1.433 10 0 ADAERN CC1(C)CC[C@@H](O)[C@@H](n2cccn2)C1 70654860 572722810 /nfs/dbraw/zinc/72/28/10/572722810.db2.gz RJRZCHMFQQWXQQ-VHSXEESVSA-N 0 0 194.278 1.995 10 0 ADAERN O=C([O-])/C=C/C[NH2+]CCC1CC1 236438327 572722844 /nfs/dbraw/zinc/72/28/44/572722844.db2.gz CUNMKSWXHUEPBU-OWOJBTEDSA-N 0 0 169.224 1.017 10 0 ADAERN COC[C@H](C)Oc1cc(N)cc(F)c1 87800305 572722854 /nfs/dbraw/zinc/72/28/54/572722854.db2.gz RNBFMOIGFZLYJV-ZETCQYMHSA-N 0 0 199.225 1.822 10 0 ADAERN CCCCn1cc(CO)cn1 54723947 572722964 /nfs/dbraw/zinc/72/29/64/572722964.db2.gz NVJNKXZRFKRSCG-UHFFFAOYSA-N 0 0 154.213 1.176 10 0 ADAERN O=C([O-])/C=C/C[NH2+]CCC(F)(F)F 236438306 572722997 /nfs/dbraw/zinc/72/29/97/572722997.db2.gz DJAQASGNAPTQAJ-OWOJBTEDSA-N 0 0 197.156 1.169 10 0 ADAERN C[C@H](O)[C@@H](C)C(=O)OCC(C)(C)C 238454791 572723023 /nfs/dbraw/zinc/72/30/23/572723023.db2.gz RAJGXVXTNWTMNF-SFYZADRCSA-N 0 0 188.267 1.593 10 0 ADAERN Cc1ccc(CC[C@H](C)O)cn1 70651965 572723088 /nfs/dbraw/zinc/72/30/88/572723088.db2.gz LWYDUECMYVPPRH-VIFPVBQESA-N 0 0 165.236 1.703 10 0 ADAERN COC(=O)/C=C/CCCC[C@@H](C)O 204898603 572723097 /nfs/dbraw/zinc/72/30/97/572723097.db2.gz FOMRGMQRLRYTHZ-BNICOGTQSA-N 0 0 186.251 1.657 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[NH2+]CCC1CCC1 236435059 572723117 /nfs/dbraw/zinc/72/31/17/572723117.db2.gz CKVQMWJVDSJTCP-ZJUUUORDSA-N 0 0 197.278 1.629 10 0 ADAERN CC(C)(C)CCOc1ncc(N)cn1 85319005 572726208 /nfs/dbraw/zinc/72/62/08/572726208.db2.gz KWECZFDWFUZIHK-UHFFFAOYSA-N 0 0 195.266 1.874 10 0 ADAERN C[C@H](O)[C@@H](CCCO)c1ccccc1 238457884 572726210 /nfs/dbraw/zinc/72/62/10/572726210.db2.gz OVOBDWRZNZNPDW-CMPLNLGQSA-N 0 0 194.274 1.924 10 0 ADAERN Cc1ccn([C@H]2CCC[C@H]2O)n1 70685858 572726211 /nfs/dbraw/zinc/72/62/11/572726211.db2.gz VIXKOBQDTZCNKF-DTWKUNHWSA-N 0 0 166.224 1.277 10 0 ADAERN O=C([O-])/C=C/C[NH2+]C(C1CC1)C1CC1 236437814 572723171 /nfs/dbraw/zinc/72/31/71/572723171.db2.gz ZACQCWRLDCGPGQ-OWOJBTEDSA-N 0 0 195.262 1.405 10 0 ADAERN C[C@H]([NH3+])CS[C@@H](C)CCC(=O)[O-] 85309312 572723227 /nfs/dbraw/zinc/72/32/27/572723227.db2.gz ITZRFAGAIACNOT-BQBZGAKWSA-N 0 0 191.296 1.320 10 0 ADAERN C[C@@H]([NH3+])CS[C@H](C)CCC(=O)[O-] 85309310 572723273 /nfs/dbraw/zinc/72/32/73/572723273.db2.gz ITZRFAGAIACNOT-RNFRBKRXSA-N 0 0 191.296 1.320 10 0 ADAERN C/C(=C\C(=O)[O-])CSC[C@@H](C)[NH3+] 85309196 572723306 /nfs/dbraw/zinc/72/33/06/572723306.db2.gz BYQOMADAOPTQIT-XUTFHDRNSA-N 0 0 189.280 1.098 10 0 ADAERN O=C([O-])/C=C/C[NH2+]CCC1CCC1 236438342 572723314 /nfs/dbraw/zinc/72/33/14/572723314.db2.gz RRKJAASGXXLUEY-GORDUTHDSA-N 0 0 183.251 1.407 10 0 ADAERN C[C@@H](C[NH3+])SCCCCC(=O)[O-] 85300675 572723318 /nfs/dbraw/zinc/72/33/18/572723318.db2.gz RTKVMUOCDSIDBY-ZETCQYMHSA-N 0 0 191.296 1.322 10 0 ADAERN C/C(=C/CS[C@H](C)C[NH3+])C(=O)[O-] 85300642 572723322 /nfs/dbraw/zinc/72/33/22/572723322.db2.gz REKWPSPICXBVGV-FXHNIGACSA-N 0 0 189.280 1.098 10 0 ADAERN C[C@H]([NH3+])CS[C@H](C)CCC(=O)[O-] 85309314 572723389 /nfs/dbraw/zinc/72/33/89/572723389.db2.gz ITZRFAGAIACNOT-NKWVEPMBSA-N 0 0 191.296 1.320 10 0 ADAERN CCCCN(C)c1cncc(NC)n1 87801055 572723477 /nfs/dbraw/zinc/72/34/77/572723477.db2.gz GUXKNWTUPKYYHS-UHFFFAOYSA-N 0 0 194.282 1.755 10 0 ADAERN C/C=C/C=C/C=C/C=C/C(N)=O 307885049 572723492 /nfs/dbraw/zinc/72/34/92/572723492.db2.gz RKDWCVAZMUZGBU-GAXCVXDLSA-N 0 0 163.220 1.716 10 0 ADAERN C[C@@H](O)c1cnn(CC(F)F)c1 54724183 572723501 /nfs/dbraw/zinc/72/35/01/572723501.db2.gz BCHVUGLMMYZZHI-RXMQYKEDSA-N 0 0 176.166 1.202 10 0 ADAERN Nc1cc(F)cc(OCCCO)c1 87800204 572723532 /nfs/dbraw/zinc/72/35/32/572723532.db2.gz ZRLBNOUGTMVEOE-UHFFFAOYSA-N 0 0 185.198 1.169 10 0 ADAERN CC(=O)C[C@@H](C)[C@H](C)NC(C)=O 238454655 572723564 /nfs/dbraw/zinc/72/35/64/572723564.db2.gz NSFZEJKJEDTMTP-SVRRBLITSA-N 0 0 171.240 1.126 10 0 ADAERN COC[C@@H](C)Oc1cc(N)cc(F)c1 87800307 572723579 /nfs/dbraw/zinc/72/35/79/572723579.db2.gz RNBFMOIGFZLYJV-SSDOTTSWSA-N 0 0 199.225 1.822 10 0 ADAERN Cc1ccn([C@H]2CCCC[C@H]2O)n1 70685889 572726458 /nfs/dbraw/zinc/72/64/58/572726458.db2.gz ISTSBVHVABFBAK-VHSXEESVSA-N 0 0 180.251 1.668 10 0 ADAERN COC1CC(O)(c2ccccc2C)C1 234804035 572723589 /nfs/dbraw/zinc/72/35/89/572723589.db2.gz OUYPEQFRIBMLCQ-UHFFFAOYSA-N 0 0 192.258 1.991 10 0 ADAERN C[C@H](O)c1cnn(C[C@@H]2CCCO2)c1 54724287 572723633 /nfs/dbraw/zinc/72/36/33/572723633.db2.gz HQFMUGTYGQTLAD-WPRPVWTQSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@H](CC(N)=O)Cc1cccs1 238456051 572723751 /nfs/dbraw/zinc/72/37/51/572723751.db2.gz BALYEEYNSNMJTE-ZETCQYMHSA-N 0 0 183.276 1.802 10 0 ADAERN C[C@@H](O)c1cnn(C[C@H]2CCCO2)c1 54724299 572723768 /nfs/dbraw/zinc/72/37/68/572723768.db2.gz HQFMUGTYGQTLAD-PSASIEDQSA-N 0 0 196.250 1.115 10 0 ADAERN CC[C@H](SC[C@@H](C)C[NH3+])C(=O)[O-] 85319557 572726905 /nfs/dbraw/zinc/72/69/05/572726905.db2.gz BHLZTUNCHUQOGB-BQBZGAKWSA-N 0 0 191.296 1.178 10 0 ADAERN CC(C)Cn1cc(CO)cn1 54723955 572723798 /nfs/dbraw/zinc/72/37/98/572723798.db2.gz ZRRRTBZRVPFFJP-UHFFFAOYSA-N 0 0 154.213 1.031 10 0 ADAERN C=C/C=C/CCNC(=O)c1ccn[nH]1 713470022 572723800 /nfs/dbraw/zinc/72/38/00/572723800.db2.gz DLCDFROHHUUFEK-ONEGZZNKSA-N 0 0 191.234 1.272 10 0 ADAERN CCOC(=O)c1ccc(C[NH2+]C)o1 117579533 572723814 /nfs/dbraw/zinc/72/38/14/572723814.db2.gz LQNXLSZLKQAXMM-UHFFFAOYSA-N 0 0 183.207 1.176 10 0 ADAERN CCOc1cc(N)cc(OCCO)c1 87800539 572723835 /nfs/dbraw/zinc/72/38/35/572723835.db2.gz AEIJEVFEODPDFT-UHFFFAOYSA-N 0 0 197.234 1.039 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]1[NH2+]CCCC1CC1 236438095 572723878 /nfs/dbraw/zinc/72/38/78/572723878.db2.gz YOVJKPJYLMPOKF-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@@H]([NH3+])CCSCCCC(=O)[O-] 85316458 572723892 /nfs/dbraw/zinc/72/38/92/572723892.db2.gz IVZIFGNNFUDFIX-SSDOTTSWSA-N 0 0 191.296 1.322 10 0 ADAERN C[C@H]([NH3+])CCSC[C@H](C)C(=O)[O-] 85316573 572723926 /nfs/dbraw/zinc/72/39/26/572723926.db2.gz MSKYCPUWBNZIOQ-BQBZGAKWSA-N 0 0 191.296 1.178 10 0 ADAERN CCCCCCn1cc(CO)cn1 54723949 572723928 /nfs/dbraw/zinc/72/39/28/572723928.db2.gz VIIPXXFKCLEBEW-UHFFFAOYSA-N 0 0 182.267 1.956 10 0 ADAERN COCCCOc1cc(N)cc(F)c1 87800237 572723975 /nfs/dbraw/zinc/72/39/75/572723975.db2.gz ZCQHFYCRDADCQD-UHFFFAOYSA-N 0 0 199.225 1.823 10 0 ADAERN COC1CC(O)(c2cccc(F)c2)C1 234803559 572724022 /nfs/dbraw/zinc/72/40/22/572724022.db2.gz CINGOVVESCMFSK-UHFFFAOYSA-N 0 0 196.221 1.822 10 0 ADAERN O=C([O-])/C=C/C[NH2+]CCC1CCCC1 236438351 572724199 /nfs/dbraw/zinc/72/41/99/572724199.db2.gz QSBDNPNBAQBOIL-ZZXKWVIFSA-N 0 0 197.278 1.797 10 0 ADAERN CC(=O)C(=O)O[C@@H](C)C(C)(C)C 238455513 572724222 /nfs/dbraw/zinc/72/42/22/572724222.db2.gz JGJOXOUMZMBJBR-ZETCQYMHSA-N 0 0 172.224 1.553 10 0 ADAERN O=C([O-])[C@H]([NH2+][C@@H]1CC=CCC1)C1CC1 236437326 572724347 /nfs/dbraw/zinc/72/43/47/572724347.db2.gz HZPIOTGURFILRQ-NXEZZACHSA-N 0 0 195.262 1.548 10 0 ADAERN C[C@H](O)c1cnn(CC(F)(F)F)c1 54724281 572724365 /nfs/dbraw/zinc/72/43/65/572724365.db2.gz XIDRIPGPSPZTSH-YFKPBYRVSA-N 0 0 194.156 1.499 10 0 ADAERN CCCCN(C)c1nc(N)ncc1F 87800999 572724368 /nfs/dbraw/zinc/72/43/68/572724368.db2.gz BPINGCDGHVSZAI-UHFFFAOYSA-N 0 0 198.245 1.434 10 0 ADAERN [NH3+]CCCSCCCCC(=O)[O-] 85314546 572724374 /nfs/dbraw/zinc/72/43/74/572724374.db2.gz QKNBDDTUFGLFTO-UHFFFAOYSA-N 0 0 191.296 1.323 10 0 ADAERN C[C@@H]([NH3+])CCSC[C@H](C)C(=O)[O-] 85316574 572724412 /nfs/dbraw/zinc/72/44/12/572724412.db2.gz MSKYCPUWBNZIOQ-NKWVEPMBSA-N 0 0 191.296 1.178 10 0 ADAERN O=C([O-])/C=C/C[NH2+]CCCC1CC1 236438413 572724424 /nfs/dbraw/zinc/72/44/24/572724424.db2.gz SXOVHXCDCOODKK-DUXPYHPUSA-N 0 0 183.251 1.407 10 0 ADAERN C=C/C=C\CC[C@H]([NH3+])c1cnn(C)n1 713737755 572724428 /nfs/dbraw/zinc/72/44/28/572724428.db2.gz KMWGMUTUNQZNSM-WBSSQXGSSA-N 0 0 192.266 1.337 10 0 ADAERN C[C@H]([NH3+])CCSC[C@@H](C)C(=O)[O-] 85316571 572724433 /nfs/dbraw/zinc/72/44/33/572724433.db2.gz MSKYCPUWBNZIOQ-RQJHMYQMSA-N 0 0 191.296 1.178 10 0 ADAERN C[C@H]1CCC[C@@H](OCCCO)O1 238451354 572724453 /nfs/dbraw/zinc/72/44/53/572724453.db2.gz MCEFQCXJIHQGOJ-IUCAKERBSA-N 0 0 174.240 1.301 10 0 ADAERN CCOCC(C)(C)CNC#N 307885038 572724469 /nfs/dbraw/zinc/72/44/69/572724469.db2.gz UPXXTIAETZWWBI-UHFFFAOYSA-N 0 0 156.229 1.120 10 0 ADAERN CCn1ccnc1Cn1nccc1C 70688276 572727155 /nfs/dbraw/zinc/72/71/55/572727155.db2.gz WASXNVLSVSXHGV-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN CC[C@@H](SCC[C@@H](C)[NH3+])C(=O)[O-] 85316470 572724493 /nfs/dbraw/zinc/72/44/93/572724493.db2.gz UBQJXVMYZCPUQX-RNFRBKRXSA-N 0 0 191.296 1.320 10 0 ADAERN C[C@H](O)c1cnn(C[C@H]2CCCO2)c1 54724295 572724494 /nfs/dbraw/zinc/72/44/94/572724494.db2.gz HQFMUGTYGQTLAD-WCBMZHEXSA-N 0 0 196.250 1.115 10 0 ADAERN c1ncc(C[NH2+]C2CCOCC2)s1 54770554 572724517 /nfs/dbraw/zinc/72/45/17/572724517.db2.gz ILPPVEPVJFJXSB-UHFFFAOYSA-N 0 0 198.291 1.412 10 0 ADAERN Cc1ccnn1Cc1ccco1 70688252 572724521 /nfs/dbraw/zinc/72/45/21/572724521.db2.gz GLOSKYFDRUKSPT-UHFFFAOYSA-N 0 0 162.192 1.833 10 0 ADAERN C[NH+](C)CCOc1cc(N)cc(F)c1 87800245 572724529 /nfs/dbraw/zinc/72/45/29/572724529.db2.gz GCSUHXFJCUNZPQ-UHFFFAOYSA-N 0 0 198.241 1.348 10 0 ADAERN CCOCCOc1cc(N)cc(F)c1 87800097 572724537 /nfs/dbraw/zinc/72/45/37/572724537.db2.gz XPEQAYMHLOBCAA-UHFFFAOYSA-N 0 0 199.225 1.823 10 0 ADAERN Cc1ccn([C@@H](C)C(=O)NC2CC2)n1 70687978 572724547 /nfs/dbraw/zinc/72/45/47/572724547.db2.gz KNNZHIUSNBXNSL-QMMMGPOBSA-N 0 0 193.250 1.031 10 0 ADAERN Cc1cccc(CO[C@H](C)[C@H](C)O)n1 238456401 572724564 /nfs/dbraw/zinc/72/45/64/572724564.db2.gz VYEODPIQZOAJJC-VHSXEESVSA-N 0 0 195.262 1.676 10 0 ADAERN Cc1ccn([C@@H](C)[C@H](C)O)n1 70686191 572724565 /nfs/dbraw/zinc/72/45/65/572724565.db2.gz HYJISUNOFVKEMM-YUMQZZPRSA-N 0 0 154.213 1.133 10 0 ADAERN CO[C@@H]1CCC[C@@H]1N[C@H](C)C(F)F 299897797 572724587 /nfs/dbraw/zinc/72/45/87/572724587.db2.gz SFBFZOANVNNNJN-GJMOJQLCSA-N 0 0 193.237 1.797 10 0 ADAERN C[C@H](O)[C@@H](C)OC(=O)OC(C)(C)C 238456298 572724594 /nfs/dbraw/zinc/72/45/94/572724594.db2.gz MMPZHUBHKRFNCS-NKWVEPMBSA-N 0 0 190.239 1.707 10 0 ADAERN Cc1ccn(Cc2cscn2)n1 70687976 572724604 /nfs/dbraw/zinc/72/46/04/572724604.db2.gz DEMUWGPEIFRFKS-UHFFFAOYSA-N 0 0 179.248 1.696 10 0 ADAERN CCN(C1CC1)[S@@](=N)(=O)CC 404705775 572724621 /nfs/dbraw/zinc/72/46/21/572724621.db2.gz XQUXXAKACWJGJT-LLVKDONJSA-N 0 0 176.285 1.452 10 0 ADAERN O=C([O-])[C@H]([NH2+][C@H]1CC=CCC1)C1CC1 236437023 572724643 /nfs/dbraw/zinc/72/46/43/572724643.db2.gz HZPIOTGURFILRQ-VHSXEESVSA-N 0 0 195.262 1.548 10 0 ADAERN CCCCn1cc([C@H](C)O)cn1 54724195 572724649 /nfs/dbraw/zinc/72/46/49/572724649.db2.gz LKKWAUJMEWQGBP-QMMMGPOBSA-N 0 0 168.240 1.737 10 0 ADAERN CC(=O)C[C@@H](C)[C@@H](C)NC(C)=O 238454465 572724655 /nfs/dbraw/zinc/72/46/55/572724655.db2.gz NSFZEJKJEDTMTP-HTRCEHHLSA-N 0 0 171.240 1.126 10 0 ADAERN C/C=C/Cn1ccc(C)n1 70687964 572724679 /nfs/dbraw/zinc/72/46/79/572724679.db2.gz IKQAUGNBBALCCS-ONEGZZNKSA-N 0 0 136.198 1.768 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]1[NH2+]CCC1CCC1 236438043 572724745 /nfs/dbraw/zinc/72/47/45/572724745.db2.gz CKVQMWJVDSJTCP-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN OCc1cnn(CC2CCCC2)c1 54724109 572724755 /nfs/dbraw/zinc/72/47/55/572724755.db2.gz UIDXRXBIFBATKN-UHFFFAOYSA-N 0 0 180.251 1.566 10 0 ADAERN CC[C@@H](O)c1cnn(CCCOC)c1 54739857 572724762 /nfs/dbraw/zinc/72/47/62/572724762.db2.gz OCSHMXUFWZHCLM-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@H](O)[C@H](C)/C=C\CCCCO 308104925 572724777 /nfs/dbraw/zinc/72/47/77/572724777.db2.gz HLFFAOQPXIVGDP-LZDAAXCASA-N 0 0 172.268 1.722 10 0 ADAERN C[C@H]([NH3+])CCSCCCC(=O)[O-] 85316457 572724797 /nfs/dbraw/zinc/72/47/97/572724797.db2.gz IVZIFGNNFUDFIX-ZETCQYMHSA-N 0 0 191.296 1.322 10 0 ADAERN Cc1ccn([C@@H](C)[C@@H](C)O)n1 70686187 572724799 /nfs/dbraw/zinc/72/47/99/572724799.db2.gz HYJISUNOFVKEMM-JGVFFNPUSA-N 0 0 154.213 1.133 10 0 ADAERN C[C@H]([NH3+])CCS[C@H](C)CC(=O)[O-] 85316487 572724816 /nfs/dbraw/zinc/72/48/16/572724816.db2.gz DMQIGXKYDZACON-NKWVEPMBSA-N 0 0 191.296 1.320 10 0 ADAERN CC[C@H](C)[C@H](O)[C@H](C)/C=C/CO 308105636 572724839 /nfs/dbraw/zinc/72/48/39/572724839.db2.gz HSNAPEBPSHQRBO-VNAWUQHYSA-N 0 0 172.268 1.578 10 0 ADAERN CC1CC(=O)CC(=O)C1 238451128 572724937 /nfs/dbraw/zinc/72/49/37/572724937.db2.gz LZQBXJYVLXJGLG-RXMQYKEDSA-N 0 0 126.155 1.427 10 0 ADAERN C=C/C=C\CCNC(=O)c1ccn[nH]1 713470020 572724924 /nfs/dbraw/zinc/72/49/24/572724924.db2.gz DLCDFROHHUUFEK-ARJAWSKDSA-N 0 0 191.234 1.272 10 0 ADAERN Cc1cc(C)c(OC[C@@H](C)O)cc1N 235234176 572724931 /nfs/dbraw/zinc/72/49/31/572724931.db2.gz OKJNRKPBHLRJHP-SECBINFHSA-N 0 0 195.262 1.645 10 0 ADAERN C=COCCC[NH2+]Cc1cnccn1 54765711 572724943 /nfs/dbraw/zinc/72/49/43/572724943.db2.gz QEZXJAWFVNPQGZ-UHFFFAOYSA-N 0 0 193.250 1.116 10 0 ADAERN CC(C)[C@H](SCCC[NH3+])C(=O)[O-] 85314508 572724954 /nfs/dbraw/zinc/72/49/54/572724954.db2.gz BNNSLLLHJRDMPH-ZETCQYMHSA-N 0 0 191.296 1.178 10 0 ADAERN CC(C)(O)Cc1cccc(CCO)c1 116521741 572724981 /nfs/dbraw/zinc/72/49/81/572724981.db2.gz CWQDPMUQRPOXPO-UHFFFAOYSA-N 0 0 194.274 1.535 10 0 ADAERN Cc1ccnn1C[C@@H](C)C(N)=S 70685403 572724984 /nfs/dbraw/zinc/72/49/84/572724984.db2.gz OLCSTIOIHHRMHF-ZCFIWIBFSA-N 0 0 183.280 1.114 10 0 ADAERN O=C([O-])/C=C/C[NH2+]CC1(C2CC2)CC1 236438218 572724996 /nfs/dbraw/zinc/72/49/96/572724996.db2.gz YCFUKERKYSLDGR-OWOJBTEDSA-N 0 0 195.262 1.407 10 0 ADAERN C[Si](C)(CCCO)CCCCO 238455657 572725001 /nfs/dbraw/zinc/72/50/01/572725001.db2.gz UGXJPLVWRJERKQ-UHFFFAOYSA-N 0 0 190.359 1.850 10 0 ADAERN CO[C@H]1CC[C@@H](Nc2[nH+]ccn2C)C1 234803166 572725003 /nfs/dbraw/zinc/72/50/03/572725003.db2.gz XZVPRJJGWCXFHY-BDAKNGLRSA-N 0 0 195.266 1.400 10 0 ADAERN C/C=C/Cn1nccc1C 70688319 572725039 /nfs/dbraw/zinc/72/50/39/572725039.db2.gz YYQBYALPQRBZDI-ONEGZZNKSA-N 0 0 136.198 1.768 10 0 ADAERN Cc1ccc(C)n1C[C@H]1CCC(=O)N1 70681494 572725051 /nfs/dbraw/zinc/72/50/51/572725051.db2.gz GVKXKFCMPLWHDW-SNVBAGLBSA-N 0 0 192.262 1.384 10 0 ADAERN C[C@@H]([NH3+])CCS[C@H](C)CC(=O)[O-] 85316488 572725055 /nfs/dbraw/zinc/72/50/55/572725055.db2.gz DMQIGXKYDZACON-RNFRBKRXSA-N 0 0 191.296 1.320 10 0 ADAERN CC(C)CCC[NH2+]C/C=C\C(=O)[O-] 308100337 572725097 /nfs/dbraw/zinc/72/50/97/572725097.db2.gz FPOYZOQVSLLJKF-XQRVVYSFSA-N 0 0 185.267 1.653 10 0 ADAERN Cc1ccn([C@@H]2CCCC[C@@H]2O)n1 70685879 572725209 /nfs/dbraw/zinc/72/52/09/572725209.db2.gz ISTSBVHVABFBAK-ZJUUUORDSA-N 0 0 180.251 1.668 10 0 ADAERN CO[C@@H]1CCC[C@H]1N[C@H](C)C(F)F 299897796 572725152 /nfs/dbraw/zinc/72/51/52/572725152.db2.gz SFBFZOANVNNNJN-BWZBUEFSSA-N 0 0 193.237 1.797 10 0 ADAERN C[C@@H]([NH3+])CCSC/C=C/C(=O)[O-] 85316468 572725162 /nfs/dbraw/zinc/72/51/62/572725162.db2.gz YPHYWYUOOZIYGU-TYWZFMJISA-N 0 0 189.280 1.098 10 0 ADAERN O[C@@H](CCCCF)c1cnns1 308104575 572725167 /nfs/dbraw/zinc/72/51/67/572725167.db2.gz HKPNGJKLNLWXGL-LURJTMIESA-N 0 0 190.243 1.711 10 0 ADAERN Cc1ccn([C@@H]2C[C@H](C)CC[C@@H]2O)n1 70686094 572725231 /nfs/dbraw/zinc/72/52/31/572725231.db2.gz UTZVCTBIQWUAKC-IEBDPFPHSA-N 0 0 194.278 1.914 10 0 ADAERN Cc1ccnn1CC1CCOCC1 70688302 572725254 /nfs/dbraw/zinc/72/52/54/572725254.db2.gz GRJHQVVHDNUMKM-UHFFFAOYSA-N 0 0 180.251 1.618 10 0 ADAERN C[C@H](O)[C@@H](C)OCc1ccccn1 238456415 572725298 /nfs/dbraw/zinc/72/52/98/572725298.db2.gz MIOKVPWUPBRITG-DTWKUNHWSA-N 0 0 181.235 1.368 10 0 ADAERN CC[C@H](C)[C@H](O)[C@H](C)/C=C\CO 308105635 572725302 /nfs/dbraw/zinc/72/53/02/572725302.db2.gz HSNAPEBPSHQRBO-CUFXRFOZSA-N 0 0 172.268 1.578 10 0 ADAERN CCN(CC)C(=O)N/C=C/C1CC1 218978623 572725352 /nfs/dbraw/zinc/72/53/52/572725352.db2.gz XVWKLGPSGIBUBV-BQYQJAHWSA-N 0 0 182.267 1.962 10 0 ADAERN COC1CC(O)(c2ccsc2)C1 234804919 572725383 /nfs/dbraw/zinc/72/53/83/572725383.db2.gz HOIMQMBIGBYWLI-UHFFFAOYSA-N 0 0 184.260 1.745 10 0 ADAERN Cc1ccn(C/C=C/Cl)n1 70688025 572725401 /nfs/dbraw/zinc/72/54/01/572725401.db2.gz UKRNBEHQASGQJX-DUXPYHPUSA-N 0 0 156.616 1.944 10 0 ADAERN C[C@@H](CC(=O)[O-])SCC[C@@H](C)[NH3+] 85316486 572725403 /nfs/dbraw/zinc/72/54/03/572725403.db2.gz DMQIGXKYDZACON-RQJHMYQMSA-N 0 0 191.296 1.320 10 0 ADAERN C[NH+](C)[C@@]1(C(=O)[O-])CCCC(C)(C)C1 70684380 572725415 /nfs/dbraw/zinc/72/54/15/572725415.db2.gz KHEUFGAMSGZLIT-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ccn(CCOC(C)C)n1 70688046 572725451 /nfs/dbraw/zinc/72/54/51/572725451.db2.gz NEGALUMVQZKSNI-UHFFFAOYSA-N 0 0 168.240 1.617 10 0 ADAERN CCCCOc1nc(C)nc(N)c1C 87841968 572725457 /nfs/dbraw/zinc/72/54/57/572725457.db2.gz LJTYQVDGYNIRSW-UHFFFAOYSA-N 0 0 195.266 1.855 10 0 ADAERN CCNc1ncnc(OCC)c1CC 87840892 572725461 /nfs/dbraw/zinc/72/54/61/572725461.db2.gz IAWYXMLSOJYWBY-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN Cc1ccnn1Cc1ncccn1 70688440 572725470 /nfs/dbraw/zinc/72/54/70/572725470.db2.gz RPIVTVAXKCNXET-UHFFFAOYSA-N 0 0 174.207 1.030 10 0 ADAERN Cc1cc(CO)nc(C(C)C)n1 54830312 572725477 /nfs/dbraw/zinc/72/54/77/572725477.db2.gz POKVPVHRKYMHIV-UHFFFAOYSA-N 0 0 166.224 1.401 10 0 ADAERN CC[C@H](CC(N)=S)n1ccc(C)n1 70685387 572725483 /nfs/dbraw/zinc/72/54/83/572725483.db2.gz BLNKSXXSPGXPNR-MRVPVSSYSA-N 0 0 197.307 1.819 10 0 ADAERN Cc1ccc(C)n1C[C@@H]1CCC(=O)N1 70681493 572725494 /nfs/dbraw/zinc/72/54/94/572725494.db2.gz GVKXKFCMPLWHDW-JTQLQIEISA-N 0 0 192.262 1.384 10 0 ADAERN C[C@H](OC(=O)C(C)(C)C)C(N)=S 238455389 572725498 /nfs/dbraw/zinc/72/54/98/572725498.db2.gz DKDRUARGEQIBAA-YFKPBYRVSA-N 0 0 189.280 1.250 10 0 ADAERN Cc1ccn([C@H](C)C(=O)NC(C)C)n1 70687827 572725500 /nfs/dbraw/zinc/72/55/00/572725500.db2.gz OVLXQDMVWRCFDK-SECBINFHSA-N 0 0 195.266 1.277 10 0 ADAERN Cc1ccnn1CCn1ccnc1 70688325 572725510 /nfs/dbraw/zinc/72/55/10/572725510.db2.gz SEEBCEZUDRVDAS-UHFFFAOYSA-N 0 0 176.223 1.088 10 0 ADAERN C[C@H](CC(=O)CO)c1ccc(O)cc1 238450522 572725535 /nfs/dbraw/zinc/72/55/35/572725535.db2.gz YCCREDAEJBCOJT-MRVPVSSYSA-N 0 0 194.230 1.447 10 0 ADAERN Cc1ccnn1C[C@@H]1CCCO1 70688201 572725557 /nfs/dbraw/zinc/72/55/57/572725557.db2.gz MYZYMJKYFLJOME-VIFPVBQESA-N 0 0 166.224 1.371 10 0 ADAERN OCc1ccnc(-c2ccncc2)n1 54793042 572725567 /nfs/dbraw/zinc/72/55/67/572725567.db2.gz CKQPUJMRMSDPMH-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN CSCc1nc(C)cc(C=O)n1 54830465 572725576 /nfs/dbraw/zinc/72/55/76/572725576.db2.gz SALDPJOKOLKMJI-UHFFFAOYSA-N 0 0 182.248 1.461 10 0 ADAERN CCCc1c(NCC)ncnc1OC 87840789 572725583 /nfs/dbraw/zinc/72/55/83/572725583.db2.gz CSGRMLIRMMEIFS-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN C[C@H]([NH3+])CCSC/C=C/C(=O)[O-] 85316467 572725596 /nfs/dbraw/zinc/72/55/96/572725596.db2.gz YPHYWYUOOZIYGU-AIYRYJHASA-N 0 0 189.280 1.098 10 0 ADAERN Cc1nc[nH]c1CNc1ccn(C)n1 54796457 572725598 /nfs/dbraw/zinc/72/55/98/572725598.db2.gz UWUCTWJGEBPXJS-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN CC(C)C[C@H](C)Oc1cc(N)ncn1 87841456 572725621 /nfs/dbraw/zinc/72/56/21/572725621.db2.gz IACROQQJQVFNIU-QMMMGPOBSA-N 0 0 195.266 1.872 10 0 ADAERN C/C(=C\CSCCC[NH3+])C(=O)[O-] 85314539 572725628 /nfs/dbraw/zinc/72/56/28/572725628.db2.gz UHMJIPBJSXGTQM-XVNBXDOJSA-N 0 0 189.280 1.099 10 0 ADAERN C[C@H](CC(C)(C)CC[NH3+])C(=O)[O-] 238453187 572725636 /nfs/dbraw/zinc/72/56/36/572725636.db2.gz PXAYSXMVULGJLD-SSDOTTSWSA-N 0 0 173.256 1.472 10 0 ADAERN CO[C@]1([C@H](C)NN)CCC[C@@H](C)C1 234805851 572725638 /nfs/dbraw/zinc/72/56/38/572725638.db2.gz DSNRZWFRGSKKPJ-KXUCPTDWSA-N 0 0 186.299 1.434 10 0 ADAERN C[C@H](CSCC[C@@H](C)[NH3+])C(=O)[O-] 85316572 572725652 /nfs/dbraw/zinc/72/56/52/572725652.db2.gz MSKYCPUWBNZIOQ-RNFRBKRXSA-N 0 0 191.296 1.178 10 0 ADAERN CN[C@]1(C(=O)OC)CCCC(C)(C)C1 70683883 572725665 /nfs/dbraw/zinc/72/56/65/572725665.db2.gz ZPGCUBIIOUXIHS-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN Cc1ccnn1CCc1ccncc1 70688255 572725707 /nfs/dbraw/zinc/72/57/07/572725707.db2.gz XLTFOJQZGXISDH-UHFFFAOYSA-N 0 0 187.246 1.829 10 0 ADAERN CC(C)[C@@H](CO)Cc1cnns1 308105070 572725712 /nfs/dbraw/zinc/72/57/12/572725712.db2.gz HQCUQGOXKRNWCX-SSDOTTSWSA-N 0 0 186.280 1.345 10 0 ADAERN CCCC/C=C/c1c(C)c(=O)c1=O 308105227 572725726 /nfs/dbraw/zinc/72/57/26/572725726.db2.gz IYTVMYUDDVUUHC-VOTSOKGWSA-N 0 0 178.231 1.794 10 0 ADAERN COC(=O)COCCC(C)(C)C 85318954 572725729 /nfs/dbraw/zinc/72/57/29/572725729.db2.gz KOOBNGFOQWRWSN-UHFFFAOYSA-N 0 0 174.240 1.612 10 0 ADAERN CNc1cc(OCCC(C)C)ncn1 87841009 572725750 /nfs/dbraw/zinc/72/57/50/572725750.db2.gz DPLOGSFQEUGINZ-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN Cc1ccn([C@@H]2CCC[C@@H]2O)n1 70685850 572725752 /nfs/dbraw/zinc/72/57/52/572725752.db2.gz VIXKOBQDTZCNKF-BDAKNGLRSA-N 0 0 166.224 1.277 10 0 ADAERN Cc1ccn([C@@H]2CCC[C@H]2O)n1 70685855 572725770 /nfs/dbraw/zinc/72/57/70/572725770.db2.gz VIXKOBQDTZCNKF-RKDXNWHRSA-N 0 0 166.224 1.277 10 0 ADAERN COC1CC(O)(c2cccs2)C1 234804609 572725772 /nfs/dbraw/zinc/72/57/72/572725772.db2.gz AEOLEGBIFQDCBR-UHFFFAOYSA-N 0 0 184.260 1.745 10 0 ADAERN C[C@H](O)[C@H](C)/C=C/CCCCO 308104930 572725788 /nfs/dbraw/zinc/72/57/88/572725788.db2.gz HLFFAOQPXIVGDP-NVETZNIKSA-N 0 0 172.268 1.722 10 0 ADAERN CCc1c(N)ncnc1OCC1CC1 87841647 572725807 /nfs/dbraw/zinc/72/58/07/572725807.db2.gz SIVFCPBGEMIXIN-UHFFFAOYSA-N 0 0 193.250 1.410 10 0 ADAERN CC[C@H](SCC[C@@H](C)[NH3+])C(=O)[O-] 85316469 572725892 /nfs/dbraw/zinc/72/58/92/572725892.db2.gz UBQJXVMYZCPUQX-RQJHMYQMSA-N 0 0 191.296 1.320 10 0 ADAERN Cc1ccn(CCCCCO)n1 70685925 572725898 /nfs/dbraw/zinc/72/58/98/572725898.db2.gz LEIHTAKVXHVZQA-UHFFFAOYSA-N 0 0 168.240 1.354 10 0 ADAERN COCCCn1ccc(C)n1 70687946 572725911 /nfs/dbraw/zinc/72/59/11/572725911.db2.gz LXKNLNYLIFGYSY-UHFFFAOYSA-N 0 0 154.213 1.228 10 0 ADAERN CCOCCn1ccc(C)n1 70687673 572725918 /nfs/dbraw/zinc/72/59/18/572725918.db2.gz YKVPHAKUGMFDRG-UHFFFAOYSA-N 0 0 154.213 1.228 10 0 ADAERN CCCCOc1cc(NC)nc(N)n1 87841987 572725931 /nfs/dbraw/zinc/72/59/31/572725931.db2.gz GPVAPICVHGXSSF-UHFFFAOYSA-N 0 0 196.254 1.279 10 0 ADAERN Cc1ccnn1Cc1ccncc1 70688317 572725940 /nfs/dbraw/zinc/72/59/40/572725940.db2.gz JYWFODLQPSVJPV-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN CCCOc1nc(NCC)ncc1F 87841908 572725958 /nfs/dbraw/zinc/72/59/58/572725958.db2.gz OCWXSXFZTYVOQY-UHFFFAOYSA-N 0 0 199.229 1.836 10 0 ADAERN CCCCCOc1cc(N)ncn1 87842020 572725964 /nfs/dbraw/zinc/72/59/64/572725964.db2.gz VWUUEXSQFBBPAL-UHFFFAOYSA-N 0 0 181.239 1.628 10 0 ADAERN CN[C@@]1(C(=O)OC)CCCC(C)(C)C1 70683886 572725996 /nfs/dbraw/zinc/72/59/96/572725996.db2.gz ZPGCUBIIOUXIHS-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN O=C([O-])/C=C/C[NH2+]Cc1ccoc1 236439663 572725989 /nfs/dbraw/zinc/72/59/89/572725989.db2.gz VCYXOGLANARZOS-OWOJBTEDSA-N 0 0 181.191 1.010 10 0 ADAERN CCCNc1cccc(OCCO)n1 87841547 572726215 /nfs/dbraw/zinc/72/62/15/572726215.db2.gz XEXTVKULQWAFCV-UHFFFAOYSA-N 0 0 196.250 1.275 10 0 ADAERN O[C@H](CCCCF)c1cnns1 308104576 572726028 /nfs/dbraw/zinc/72/60/28/572726028.db2.gz HKPNGJKLNLWXGL-ZCFIWIBFSA-N 0 0 190.243 1.711 10 0 ADAERN CC[C@@H](C)SC[C@@H](O)C(=O)OC 308105916 572726032 /nfs/dbraw/zinc/72/60/32/572726032.db2.gz HWQLKSYBLIYGID-RNFRBKRXSA-N 0 0 192.280 1.052 10 0 ADAERN CC[C@H](SCC[C@H](C)[NH3+])C(=O)[O-] 85316471 572726038 /nfs/dbraw/zinc/72/60/38/572726038.db2.gz UBQJXVMYZCPUQX-BQBZGAKWSA-N 0 0 191.296 1.320 10 0 ADAERN Cc1ccn([C@@H]2CCCC[C@H]2O)n1 70685886 572726050 /nfs/dbraw/zinc/72/60/50/572726050.db2.gz ISTSBVHVABFBAK-NXEZZACHSA-N 0 0 180.251 1.668 10 0 ADAERN OCc1ccnc(-c2ccco2)n1 54792882 572726063 /nfs/dbraw/zinc/72/60/63/572726063.db2.gz RZMVTHCVFOMRBI-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN C[NH+](C)[C@]1(C(=O)[O-])CCCC(C)(C)C1 70684377 572726067 /nfs/dbraw/zinc/72/60/67/572726067.db2.gz KHEUFGAMSGZLIT-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ccnn1C[C@H](C)C(N)=S 70685406 572726079 /nfs/dbraw/zinc/72/60/79/572726079.db2.gz OLCSTIOIHHRMHF-LURJTMIESA-N 0 0 183.280 1.114 10 0 ADAERN CC[C@@H](SCC[C@H](C)[NH3+])C(=O)[O-] 85316472 572726096 /nfs/dbraw/zinc/72/60/96/572726096.db2.gz UBQJXVMYZCPUQX-NKWVEPMBSA-N 0 0 191.296 1.320 10 0 ADAERN Cc1ccnn1Cc1ccccn1 70688274 572726104 /nfs/dbraw/zinc/72/61/04/572726104.db2.gz KUUIXXMDKRQHDV-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN CCCc1c(NC)ncnc1OCC 87840898 572726113 /nfs/dbraw/zinc/72/61/13/572726113.db2.gz BQKREUWJOYVNJE-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN C[C@@H]1CCC[C@H](C2=NCC(=O)N2)C1 235321950 572726115 /nfs/dbraw/zinc/72/61/15/572726115.db2.gz WDTBVHDIEHXOCT-SFYZADRCSA-N 0 0 180.251 1.341 10 0 ADAERN OCc1ccnc(CC(F)(F)F)n1 54792923 572726142 /nfs/dbraw/zinc/72/61/42/572726142.db2.gz YJYYJJAGULSGNS-UHFFFAOYSA-N 0 0 192.140 1.074 10 0 ADAERN Cc1cnc(N)nc1OCCC(C)C 87841003 572726152 /nfs/dbraw/zinc/72/61/52/572726152.db2.gz ARWQMHJGASWCEN-UHFFFAOYSA-N 0 0 195.266 1.792 10 0 ADAERN COC(=O)/C=C\NCCC(F)(F)F 308104333 572726158 /nfs/dbraw/zinc/72/61/58/572726158.db2.gz IYJJSJPOAXEJGL-RQOWECAXSA-N 0 0 197.156 1.215 10 0 ADAERN C/C(=C/C(=O)[O-])CSCCC[NH3+] 85314517 572726188 /nfs/dbraw/zinc/72/61/88/572726188.db2.gz JNKIGURULVSDBQ-ALCCZGGFSA-N 0 0 189.280 1.099 10 0 ADAERN CC[C@H](C)SC[C@H](O)C(=O)OC 308105886 572726217 /nfs/dbraw/zinc/72/62/17/572726217.db2.gz HWQLKSYBLIYGID-BQBZGAKWSA-N 0 0 192.280 1.052 10 0 ADAERN CC/C(=C\C[NH2+]CC(C)C)C(=O)[O-] 308105438 572726221 /nfs/dbraw/zinc/72/62/21/572726221.db2.gz JXXFNWFLFSUZIA-WEVVVXLNSA-N 0 0 185.267 1.653 10 0 ADAERN CCc1c(N)ncnc1O[C@H](C)CC 87842113 572726225 /nfs/dbraw/zinc/72/62/25/572726225.db2.gz KPYPSBXWDDWVAX-SSDOTTSWSA-N 0 0 195.266 1.799 10 0 ADAERN Cc1ccnn1Cc1cccnc1 70688245 572726230 /nfs/dbraw/zinc/72/62/30/572726230.db2.gz WNQIJBAGLVPFMJ-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)OCC(C)(C)CO 238458147 572726231 /nfs/dbraw/zinc/72/62/31/572726231.db2.gz ZUFFNYLNDHFOAK-HTQZYQBOSA-N 0 0 186.251 1.204 10 0 ADAERN CC(C)(C)CCOCC(N)=S 85319430 572726243 /nfs/dbraw/zinc/72/62/43/572726243.db2.gz XBLBWFMWWQXNRT-UHFFFAOYSA-N 0 0 175.297 1.725 10 0 ADAERN Cc1ccn([C@H]2CCC[C@@H]2O)n1 70685854 572726244 /nfs/dbraw/zinc/72/62/44/572726244.db2.gz VIXKOBQDTZCNKF-IUCAKERBSA-N 0 0 166.224 1.277 10 0 ADAERN C[C@@H]1C[C@H]1CCCC(=O)CO 238458326 572726248 /nfs/dbraw/zinc/72/62/48/572726248.db2.gz ZVKJWMIQQROWIL-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CC(=O)[C@H](Cc1ccccc1)[C@H](C)O 238458336 572726273 /nfs/dbraw/zinc/72/62/73/572726273.db2.gz AYOQKYGIZGXXDC-JOYOIKCWSA-N 0 0 192.258 1.815 10 0 ADAERN CC(C)[C@H](CO)Cc1cnns1 308105072 572726312 /nfs/dbraw/zinc/72/63/12/572726312.db2.gz HQCUQGOXKRNWCX-ZETCQYMHSA-N 0 0 186.280 1.345 10 0 ADAERN C[C@H](O)[C@@H](CO)CC1CCCCC1 238458059 572726315 /nfs/dbraw/zinc/72/63/15/572726315.db2.gz FOCNAJYGMRNVKK-GXSJLCMTSA-N 0 0 186.295 1.946 10 0 ADAERN Cc1ccn([C@@H](C)C(=O)NC(C)C)n1 70687820 572726405 /nfs/dbraw/zinc/72/64/05/572726405.db2.gz OVLXQDMVWRCFDK-VIFPVBQESA-N 0 0 195.266 1.277 10 0 ADAERN C[C@H]([NH3+])CCS[C@@H](C)CC(=O)[O-] 85316485 572726406 /nfs/dbraw/zinc/72/64/06/572726406.db2.gz DMQIGXKYDZACON-BQBZGAKWSA-N 0 0 191.296 1.320 10 0 ADAERN C[C@H](CCC(=O)[O-])SCCC[NH3+] 85314550 572726422 /nfs/dbraw/zinc/72/64/22/572726422.db2.gz LLDYAJIDXCUVKX-SSDOTTSWSA-N 0 0 191.296 1.322 10 0 ADAERN C[C@@H](CCC(=O)[O-])SCCC[NH3+] 85314549 572726434 /nfs/dbraw/zinc/72/64/34/572726434.db2.gz LLDYAJIDXCUVKX-ZETCQYMHSA-N 0 0 191.296 1.322 10 0 ADAERN Nc1nccc(N2C[C@H]3CC[C@@H]2C3)n1 87823679 572726441 /nfs/dbraw/zinc/72/64/41/572726441.db2.gz SVHOEQIYNYMMOP-JGVFFNPUSA-N 0 0 190.250 1.048 10 0 ADAERN OCc1ccnc(-c2cccs2)n1 54793046 572726472 /nfs/dbraw/zinc/72/64/72/572726472.db2.gz TUIOEFYOQAKECH-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN Cc1ccn([C@H](C)[C@H](C)O)n1 70686193 572726480 /nfs/dbraw/zinc/72/64/80/572726480.db2.gz HYJISUNOFVKEMM-SFYZADRCSA-N 0 0 154.213 1.133 10 0 ADAERN Cc1nc(CNc2cnn(C)c2)c[nH]1 54821627 572726485 /nfs/dbraw/zinc/72/64/85/572726485.db2.gz NMYQQMSCUWZBMR-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN CCc1c(N)ncnc1O[C@@H](C)CC 87842112 572726514 /nfs/dbraw/zinc/72/65/14/572726514.db2.gz KPYPSBXWDDWVAX-ZETCQYMHSA-N 0 0 195.266 1.799 10 0 ADAERN O=C(OCC(F)(F)F)N1CCC1 308104399 572726538 /nfs/dbraw/zinc/72/65/38/572726538.db2.gz HDXVNOMGEOAIML-UHFFFAOYSA-N 0 0 183.129 1.391 10 0 ADAERN CC(C)CCOc1ccnc(N)n1 87840990 572726561 /nfs/dbraw/zinc/72/65/61/572726561.db2.gz ZWWPUCXYEXNVSS-UHFFFAOYSA-N 0 0 181.239 1.484 10 0 ADAERN O=Cc1cnc(Cc2ccccn2)nc1 54855214 572726564 /nfs/dbraw/zinc/72/65/64/572726564.db2.gz FOSBNVNFSVZJCT-UHFFFAOYSA-N 0 0 199.213 1.275 10 0 ADAERN CCc1c(N)ncnc1OCC(C)C 87841200 572726577 /nfs/dbraw/zinc/72/65/77/572726577.db2.gz RLQLYTREGLSLLD-UHFFFAOYSA-N 0 0 195.266 1.656 10 0 ADAERN CC[C@@H](C)SC[C@H](O)C(=O)OC 308105930 572726582 /nfs/dbraw/zinc/72/65/82/572726582.db2.gz HWQLKSYBLIYGID-RQJHMYQMSA-N 0 0 192.280 1.052 10 0 ADAERN CCc1nnc(Cn2ccc(C)n2)o1 70688030 572726648 /nfs/dbraw/zinc/72/66/48/572726648.db2.gz LJIUYRLGUVSGJZ-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN CCCCOc1cncc(NC)n1 87841952 572726663 /nfs/dbraw/zinc/72/66/63/572726663.db2.gz ZQCHAJPRWCUNCF-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN Cc1ccnn1CCn1cccn1 70688278 572726678 /nfs/dbraw/zinc/72/66/78/572726678.db2.gz PWIPVBYHOYBTBN-UHFFFAOYSA-N 0 0 176.223 1.088 10 0 ADAERN CCCc1c(N)ncnc1OCC 87840855 572726711 /nfs/dbraw/zinc/72/67/11/572726711.db2.gz XJJUJYYDQREKMG-UHFFFAOYSA-N 0 0 181.239 1.410 10 0 ADAERN Cc1ccnn1C/C=C/Cl 70688358 572726715 /nfs/dbraw/zinc/72/67/15/572726715.db2.gz KCQBIZXFCXCVDZ-DUXPYHPUSA-N 0 0 156.616 1.944 10 0 ADAERN CCNc1nccc(OCC(C)C)n1 87841179 572726719 /nfs/dbraw/zinc/72/67/19/572726719.db2.gz ZWJCGQXLBATQNS-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN C[C@@H]1CCC[C@H](C2=N[C@H](C)C(=O)N2)C1 235322042 572726721 /nfs/dbraw/zinc/72/67/21/572726721.db2.gz OHWBUBJKAYESDZ-HLTSFMKQSA-N 0 0 194.278 1.730 10 0 ADAERN CCCNc1cncc(OCC)n1 87840858 572726746 /nfs/dbraw/zinc/72/67/46/572726746.db2.gz XXTSIGDXKNAYEA-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN Cc1ccnn1C[C@H]1CCCO1 70688203 572726815 /nfs/dbraw/zinc/72/68/15/572726815.db2.gz MYZYMJKYFLJOME-SECBINFHSA-N 0 0 166.224 1.371 10 0 ADAERN C[C@@H](CC(=O)[O-])SC[C@H](C)C[NH3+] 85319577 572726834 /nfs/dbraw/zinc/72/68/34/572726834.db2.gz LNNBUCMSKSDDFS-RQJHMYQMSA-N 0 0 191.296 1.178 10 0 ADAERN CCCCCOc1cc(N)nc(C)n1 87842040 572726835 /nfs/dbraw/zinc/72/68/35/572726835.db2.gz UXHYWGPVUQBGKF-UHFFFAOYSA-N 0 0 195.266 1.936 10 0 ADAERN CCCCCOc1ccnc(N)n1 87842029 572726841 /nfs/dbraw/zinc/72/68/41/572726841.db2.gz STNFCEITTVCDDB-UHFFFAOYSA-N 0 0 181.239 1.628 10 0 ADAERN Cc1cnc(-n2ccc(C)n2)nc1 70688513 572726843 /nfs/dbraw/zinc/72/68/43/572726843.db2.gz RBIBYVJWHZZYNJ-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CCCOc1ncnc(NC)c1CC 87841910 572726863 /nfs/dbraw/zinc/72/68/63/572726863.db2.gz OCUFJDNVSWUBQM-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN C[C@@H](OCCC(C)(C)C)C(N)=O 85319747 572726869 /nfs/dbraw/zinc/72/68/69/572726869.db2.gz MTDNHCAXIOWTBV-SSDOTTSWSA-N 0 0 173.256 1.313 10 0 ADAERN O=C([O-])/C=C/[NH2+]CCCC(F)(F)F 236442473 572726870 /nfs/dbraw/zinc/72/68/70/572726870.db2.gz DGCOIUZQZNRSHN-GORDUTHDSA-N 0 0 197.156 1.517 10 0 ADAERN C[C@@H](C[NH3+])CSC[C@@H](C)C(=O)[O-] 85319665 572726878 /nfs/dbraw/zinc/72/68/78/572726878.db2.gz LCBZALNRPIYHFU-NKWVEPMBSA-N 0 0 191.296 1.035 10 0 ADAERN Cc1ccn([C@H](C)C(=O)NC2CC2)n1 70687981 572726884 /nfs/dbraw/zinc/72/68/84/572726884.db2.gz KNNZHIUSNBXNSL-MRVPVSSYSA-N 0 0 193.250 1.031 10 0 ADAERN Cc1cccc(C)c1C[C@H](O)[C@@H](C)O 235236902 572726888 /nfs/dbraw/zinc/72/68/88/572726888.db2.gz HNBODMBWSSJWAG-PWSUYJOCSA-N 0 0 194.274 1.588 10 0 ADAERN OCc1cnc(-c2ccco2)nc1 54857074 572726898 /nfs/dbraw/zinc/72/68/98/572726898.db2.gz ODTIHXIGGGCRSP-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN CCNc1cccc(OCCCO)n1 87841733 572726917 /nfs/dbraw/zinc/72/69/17/572726917.db2.gz ZAPJOFRFABPSOP-UHFFFAOYSA-N 0 0 196.250 1.275 10 0 ADAERN CCCCCOc1nc(N)ncc1C 87842042 572726933 /nfs/dbraw/zinc/72/69/33/572726933.db2.gz GURKHYFNPPGMJA-UHFFFAOYSA-N 0 0 195.266 1.936 10 0 ADAERN Cc1ccn(Cc2c(C)noc2C)n1 70687970 572726951 /nfs/dbraw/zinc/72/69/51/572726951.db2.gz UXXKGNSXYPSZPM-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN COc1cccc(-n2ccc(C)n2)n1 70688509 572726989 /nfs/dbraw/zinc/72/69/89/572726989.db2.gz MEFLGOWKMANCPZ-UHFFFAOYSA-N 0 0 189.218 1.584 10 0 ADAERN Cc1ccn(Cc2nc(C)c(C)o2)n1 70688005 572726994 /nfs/dbraw/zinc/72/69/94/572726994.db2.gz PFTOWYVBXVUGKB-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN Cc1c(N)ncnc1OCCC(C)C 87840993 572727002 /nfs/dbraw/zinc/72/70/02/572727002.db2.gz VMFFGJJUJSDMEA-UHFFFAOYSA-N 0 0 195.266 1.792 10 0 ADAERN COCc1oc(C)c(C)c1C=O 77089301 572727005 /nfs/dbraw/zinc/72/70/05/572727005.db2.gz AASGXXCHEMMKPL-UHFFFAOYSA-N 0 0 168.192 1.855 10 0 ADAERN CCc1nnc(Cn2nccc2C)o1 70688363 572727149 /nfs/dbraw/zinc/72/71/49/572727149.db2.gz NXXLVSWLACYPCK-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN CC[C@H](SC[C@H](C)C[NH3+])C(=O)[O-] 85319559 572727009 /nfs/dbraw/zinc/72/70/09/572727009.db2.gz BHLZTUNCHUQOGB-RQJHMYQMSA-N 0 0 191.296 1.178 10 0 ADAERN CCCCOc1ncnc(N)c1C 87841967 572727019 /nfs/dbraw/zinc/72/70/19/572727019.db2.gz UJMDRDSQGVWQND-UHFFFAOYSA-N 0 0 181.239 1.546 10 0 ADAERN CC(C)C[C@H](C)Oc1ccnc(N)n1 87841474 572727022 /nfs/dbraw/zinc/72/70/22/572727022.db2.gz VHSLLOHKBXDQBA-QMMMGPOBSA-N 0 0 195.266 1.872 10 0 ADAERN Cc1cc(OCCC(C)C)nc(N)n1 87840987 572727031 /nfs/dbraw/zinc/72/70/31/572727031.db2.gz CVFXYVLJAQYEKR-UHFFFAOYSA-N 0 0 195.266 1.792 10 0 ADAERN CCOCCn1nccc1C 70688221 572727037 /nfs/dbraw/zinc/72/70/37/572727037.db2.gz WHKTZXQLKOPOOX-UHFFFAOYSA-N 0 0 154.213 1.228 10 0 ADAERN Cc1ccn([C@H](C)[C@@H](C)O)n1 70686189 572727048 /nfs/dbraw/zinc/72/70/48/572727048.db2.gz HYJISUNOFVKEMM-HTQZYQBOSA-N 0 0 154.213 1.133 10 0 ADAERN COCc1oc2c(c1C=O)CCC2 77089405 572727058 /nfs/dbraw/zinc/72/70/58/572727058.db2.gz KJQPCWYQDJZSBG-UHFFFAOYSA-N 0 0 180.203 1.727 10 0 ADAERN C[C@@H]1N=C([C@H]2CCC[C@@H](C)C2)NC1=O 235322014 572727065 /nfs/dbraw/zinc/72/70/65/572727065.db2.gz OHWBUBJKAYESDZ-VGMNWLOBSA-N 0 0 194.278 1.730 10 0 ADAERN CCCCOc1nc(N)ncc1C 87841979 572727072 /nfs/dbraw/zinc/72/70/72/572727072.db2.gz QRVAYCJDKAWYII-UHFFFAOYSA-N 0 0 181.239 1.546 10 0 ADAERN CCCCCOc1ncnc(N)c1C 87842032 572727076 /nfs/dbraw/zinc/72/70/76/572727076.db2.gz IRAAAJMAOQGOEC-UHFFFAOYSA-N 0 0 195.266 1.936 10 0 ADAERN Cc1ccc(C)c(C[C@H](O)[C@@H](C)O)c1 235237332 572727131 /nfs/dbraw/zinc/72/71/31/572727131.db2.gz SSVRIMLSGIMMAJ-PWSUYJOCSA-N 0 0 194.274 1.588 10 0 ADAERN CC[C@@H](SC[C@@H](C)C[NH3+])C(=O)[O-] 85319558 572727137 /nfs/dbraw/zinc/72/71/37/572727137.db2.gz BHLZTUNCHUQOGB-NKWVEPMBSA-N 0 0 191.296 1.178 10 0 ADAERN Cc1ccn([C@@H]2C[C@@H](C)CC[C@@H]2O)n1 70686100 572727179 /nfs/dbraw/zinc/72/71/79/572727179.db2.gz UTZVCTBIQWUAKC-GDPRMGEGSA-N 0 0 194.278 1.914 10 0 ADAERN O=C([O-])/C=C/C[NH2+][C@@H]1CC=CCC1 236440208 572727181 /nfs/dbraw/zinc/72/71/81/572727181.db2.gz OGPFJLPBRUWNFG-ILFKPUCNSA-N 0 0 181.235 1.326 10 0 ADAERN O=C([O-])/C=C/C[NH2+][C@H]1CC=CCC1 236439847 572727216 /nfs/dbraw/zinc/72/72/16/572727216.db2.gz OGPFJLPBRUWNFG-IYNCYZAOSA-N 0 0 181.235 1.326 10 0 ADAERN C[C@H](C[NH3+])CS[C@H](C)CC(=O)[O-] 85319578 572727300 /nfs/dbraw/zinc/72/73/00/572727300.db2.gz LNNBUCMSKSDDFS-RNFRBKRXSA-N 0 0 191.296 1.178 10 0 ADAERN CO[C@@H]1CCC[C@@]2(C[C@@H]2CO)C1 234805705 572727338 /nfs/dbraw/zinc/72/73/38/572727338.db2.gz ZGPXSCCTJXWBBO-OPRDCNLKSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1ccn(-c2ncccc2F)n1 70688492 572727343 /nfs/dbraw/zinc/72/73/43/572727343.db2.gz AFOUQFAFOWVVDL-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN C=Cc1ccc(-n2cncn2)c(C=O)c1 117639155 572727348 /nfs/dbraw/zinc/72/73/48/572727348.db2.gz UWROSFRDXDRAKN-UHFFFAOYSA-N 0 0 199.213 1.723 10 0 ADAERN [NH3+]/C(=C\c1ccccc1F)C(=O)[O-] 308104351 572727381 /nfs/dbraw/zinc/72/73/81/572727381.db2.gz JCUTUGCHEDZVID-YVMONPNESA-N 0 0 181.166 1.210 10 0 ADAERN CCCOc1ncnc(N)c1C(C)C 87841931 572727386 /nfs/dbraw/zinc/72/73/86/572727386.db2.gz HSWRFIYJTUFBBD-UHFFFAOYSA-N 0 0 195.266 1.971 10 0 ADAERN Cc1nccn1CCn1nccc1C 70688281 572727402 /nfs/dbraw/zinc/72/74/02/572727402.db2.gz JJIJEOPVLNATJG-UHFFFAOYSA-N 0 0 190.250 1.397 10 0 ADAERN CC[C@H](OCCC(C)(C)C)C(N)=O 85319754 572727412 /nfs/dbraw/zinc/72/74/12/572727412.db2.gz YBPHDEWLYIBUGJ-QMMMGPOBSA-N 0 0 187.283 1.703 10 0 ADAERN O=C([O-])/C=C/C[NH2+]Cc1ccsc1 236439681 572727430 /nfs/dbraw/zinc/72/74/30/572727430.db2.gz PABJFJFGBZFJON-OWOJBTEDSA-N 0 0 197.259 1.479 10 0 ADAERN COC1CC(O)(c2cncc(F)c2)C1 234805225 572727438 /nfs/dbraw/zinc/72/74/38/572727438.db2.gz LZGRWFLILYHRBJ-UHFFFAOYSA-N 0 0 197.209 1.217 10 0 ADAERN C[C@H](C[NH3+])CSC[C@H](C)C(=O)[O-] 85319668 572727469 /nfs/dbraw/zinc/72/74/69/572727469.db2.gz LCBZALNRPIYHFU-RQJHMYQMSA-N 0 0 191.296 1.035 10 0 ADAERN COC(C)(C)C[C@@H](O)[C@H]1CCOC1 230983916 572727480 /nfs/dbraw/zinc/72/74/80/572727480.db2.gz ILUSUIVVWHCQRS-DTWKUNHWSA-N 0 0 188.267 1.199 10 0 ADAERN CC[C@@H](OCCC(C)(C)C)C(N)=O 85319755 572727500 /nfs/dbraw/zinc/72/75/00/572727500.db2.gz YBPHDEWLYIBUGJ-MRVPVSSYSA-N 0 0 187.283 1.703 10 0 ADAERN C[C@H](C[NH3+])CSCCCC(=O)[O-] 85319546 572727541 /nfs/dbraw/zinc/72/75/41/572727541.db2.gz DXXFDXAXJRRQLA-SSDOTTSWSA-N 0 0 191.296 1.179 10 0 ADAERN COC(C)(C)C[C@H](O)[C@H]1CCOC1 230983918 572727512 /nfs/dbraw/zinc/72/75/12/572727512.db2.gz ILUSUIVVWHCQRS-IUCAKERBSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@H](CSC[C@H](C)C[NH3+])C(=O)[O-] 85319666 572727533 /nfs/dbraw/zinc/72/75/33/572727533.db2.gz LCBZALNRPIYHFU-RNFRBKRXSA-N 0 0 191.296 1.035 10 0 ADAERN C[C@@H](C[NH3+])CSCCCC(=O)[O-] 85319545 572727552 /nfs/dbraw/zinc/72/75/52/572727552.db2.gz DXXFDXAXJRRQLA-ZETCQYMHSA-N 0 0 191.296 1.179 10 0 ADAERN CCCOc1cncc(NCC)n1 87841887 572727561 /nfs/dbraw/zinc/72/75/61/572727561.db2.gz MPTJGZVUONMCLP-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN CCC[N@@H+]1CC[C@@H](CC(=O)[O-])C[C@H]1C 252475004 572727569 /nfs/dbraw/zinc/72/75/69/572727569.db2.gz QIMBXBFKKBZERT-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](O)[C@@H](O)CCC(C)(C)C 235236107 572727575 /nfs/dbraw/zinc/72/75/75/572727575.db2.gz GFJFDQPOOQUTEY-SFYZADRCSA-N 0 0 160.257 1.554 10 0 ADAERN CNc1nccc(OCCC(C)C)n1 87841017 572727641 /nfs/dbraw/zinc/72/76/41/572727641.db2.gz ONOYDXGGQXBGRB-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN CCCNc1cc(OCC)nc(N)n1 87840852 572727662 /nfs/dbraw/zinc/72/76/62/572727662.db2.gz DSNDNAPIPJMTST-UHFFFAOYSA-N 0 0 196.254 1.279 10 0 ADAERN COCc1oc(C)c(C)c1C(N)=S 77089313 572727677 /nfs/dbraw/zinc/72/76/77/572727677.db2.gz YBRUGLSIULWDQM-UHFFFAOYSA-N 0 0 199.275 1.677 10 0 ADAERN C[C@@H](Nc1nnc(CN)o1)C(C)(C)C 235236472 572727683 /nfs/dbraw/zinc/72/76/83/572727683.db2.gz RAOJKVKYHNAWEM-ZCFIWIBFSA-N 0 0 198.270 1.375 10 0 ADAERN CCCOc1cc(NCC)nc(N)n1 87841872 572727693 /nfs/dbraw/zinc/72/76/93/572727693.db2.gz FLKPIIHMLJBMRE-UHFFFAOYSA-N 0 0 196.254 1.279 10 0 ADAERN C[C@@H](C[NH3+])CS[C@@H](C)CC(=O)[O-] 85319575 572727698 /nfs/dbraw/zinc/72/76/98/572727698.db2.gz LNNBUCMSKSDDFS-BQBZGAKWSA-N 0 0 191.296 1.178 10 0 ADAERN CCCNc1ncc(F)c(OCC)n1 87840891 572727722 /nfs/dbraw/zinc/72/77/22/572727722.db2.gz HVDMQLKZHJLQDJ-UHFFFAOYSA-N 0 0 199.229 1.836 10 0 ADAERN Cc1nc2c(CO)cccn2c1N=O 74544449 572727728 /nfs/dbraw/zinc/72/77/28/572727728.db2.gz DJNZVSPYSWXMLL-UHFFFAOYSA-N 0 0 191.190 1.533 10 0 ADAERN CCCNc1nccc(OCC)n1 87840864 572727739 /nfs/dbraw/zinc/72/77/39/572727739.db2.gz NYXVKGXIZDZBDO-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN Cc1nc(CNc2ccn(C)n2)c[nH]1 54822249 572727750 /nfs/dbraw/zinc/72/77/50/572727750.db2.gz KJLOKRMHBNIPSB-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN CC[C@@H](SC[C@H](C)C[NH3+])C(=O)[O-] 85319560 572727774 /nfs/dbraw/zinc/72/77/74/572727774.db2.gz BHLZTUNCHUQOGB-RNFRBKRXSA-N 0 0 191.296 1.178 10 0 ADAERN CCC[N@@H+]1CC[C@H](CC(=O)[O-])C[C@H]1C 252475005 572727776 /nfs/dbraw/zinc/72/77/76/572727776.db2.gz QIMBXBFKKBZERT-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1n[nH]cc1-c1nnc(C(C)C)[nH]1 70705878 572727792 /nfs/dbraw/zinc/72/77/92/572727792.db2.gz BFSLVZLEISUBRC-UHFFFAOYSA-N 0 0 191.238 1.627 10 0 ADAERN CC(C)C[C@@H](C)Oc1ccnc(N)n1 87841473 572727805 /nfs/dbraw/zinc/72/78/05/572727805.db2.gz VHSLLOHKBXDQBA-MRVPVSSYSA-N 0 0 195.266 1.872 10 0 ADAERN C[C@@H](O)[C@@H](O)C1CCCCCC1 235235749 572727828 /nfs/dbraw/zinc/72/78/28/572727828.db2.gz JLZCQYXVEVQMHD-PSASIEDQSA-N 0 0 172.268 1.699 10 0 ADAERN C/C=C\CN[C@@H](C)c1nncn1C 308101517 572727859 /nfs/dbraw/zinc/72/78/59/572727859.db2.gz HNKWQWPSTCCZHQ-LGYSABEFSA-N 0 0 180.255 1.042 10 0 ADAERN Cc1cc(C)cc(C[C@H](O)[C@@H](C)O)c1 235237280 572727877 /nfs/dbraw/zinc/72/78/77/572727877.db2.gz ZNANRCGNWNLGPH-PWSUYJOCSA-N 0 0 194.274 1.588 10 0 ADAERN C[C@@H](C[NH3+])CSC[C@H](C)C(=O)[O-] 85319667 572727917 /nfs/dbraw/zinc/72/79/17/572727917.db2.gz LCBZALNRPIYHFU-BQBZGAKWSA-N 0 0 191.296 1.035 10 0 ADAERN C[C@H](O)COCCC(C)(C)C 85319818 572727971 /nfs/dbraw/zinc/72/79/71/572727971.db2.gz GWYXCBRLKOMCDO-QMMMGPOBSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)CCOc1nc(N)ncc1F 87841006 572727978 /nfs/dbraw/zinc/72/79/78/572727978.db2.gz CCGMSNGGMBAJQR-UHFFFAOYSA-N 0 0 199.229 1.623 10 0 ADAERN C/C=C\CN[C@H](C)c1nncn1C 308101524 572728000 /nfs/dbraw/zinc/72/80/00/572728000.db2.gz HNKWQWPSTCCZHQ-PULIVWKDSA-N 0 0 180.255 1.042 10 0 ADAERN CCCNc1nc[nH]c(=O)c1CCC 87841823 572728011 /nfs/dbraw/zinc/72/80/11/572728011.db2.gz MFRCDPIVLDZSMY-UHFFFAOYSA-N 0 0 195.266 1.544 10 0 ADAERN C[C@@H](O)COCCC(C)(C)C 85319819 572728024 /nfs/dbraw/zinc/72/80/24/572728024.db2.gz GWYXCBRLKOMCDO-MRVPVSSYSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@H](OCCC(C)(C)C)C(N)=O 85319746 572728072 /nfs/dbraw/zinc/72/80/72/572728072.db2.gz MTDNHCAXIOWTBV-ZETCQYMHSA-N 0 0 173.256 1.313 10 0 ADAERN C[C@@H]1CCCC[C@H]1Nc1nnc(N)o1 235237313 572728075 /nfs/dbraw/zinc/72/80/75/572728075.db2.gz HAOCLDWBOGWFIE-RNFRBKRXSA-N 0 0 196.254 1.642 10 0 ADAERN CCCCNC=C(C)S(C)(=O)=O 307887891 572728089 /nfs/dbraw/zinc/72/80/89/572728089.db2.gz CLWXYMNWZCVHJP-BQYQJAHWSA-N 0 0 191.296 1.282 10 0 ADAERN CC(C)(C)CCOCCC(N)=O 85319769 572728093 /nfs/dbraw/zinc/72/80/93/572728093.db2.gz BMZYGLPBNWTJPA-UHFFFAOYSA-N 0 0 173.256 1.315 10 0 ADAERN CO[C@@H]1CCC[C@@]2(CC(=O)CCO2)C1 234804706 572728101 /nfs/dbraw/zinc/72/81/01/572728101.db2.gz YWUCLYOFCQJQPC-GHMZBOCLSA-N 0 0 198.262 1.694 10 0 ADAERN CCCCCOc1nc(N)ncc1F 87842045 572728145 /nfs/dbraw/zinc/72/81/45/572728145.db2.gz XGLMRISESUKCNV-UHFFFAOYSA-N 0 0 199.229 1.767 10 0 ADAERN COC1CC(O)(c2cnccc2C)C1 234805459 572728180 /nfs/dbraw/zinc/72/81/80/572728180.db2.gz WSQUIAFYVBRISS-UHFFFAOYSA-N 0 0 193.246 1.386 10 0 ADAERN CCCCOc1nc(NC)ncc1F 87841965 572728213 /nfs/dbraw/zinc/72/82/13/572728213.db2.gz OFHVCNFFJPDCEW-UHFFFAOYSA-N 0 0 199.229 1.836 10 0 ADAERN Cc1ccc(CC[C@](C)(O)CCO)o1 238468379 572728223 /nfs/dbraw/zinc/72/82/23/572728223.db2.gz AAFAYQHYNFLXFU-NSHDSACASA-N 0 0 198.262 1.654 10 0 ADAERN C[C@@H](C[NH3+])CS[C@H](C)CC(=O)[O-] 85319576 572728242 /nfs/dbraw/zinc/72/82/42/572728242.db2.gz LNNBUCMSKSDDFS-NKWVEPMBSA-N 0 0 191.296 1.178 10 0 ADAERN Cc1oc2c(c1CO)CCCC2 77090166 572728268 /nfs/dbraw/zinc/72/82/68/572728268.db2.gz CXQCLUSAUKMFNS-UHFFFAOYSA-N 0 0 166.220 1.959 10 0 ADAERN Cc1cccc(NCO)c1 117635457 572728486 /nfs/dbraw/zinc/72/84/86/572728486.db2.gz MZWVGZCISWZXNE-UHFFFAOYSA-N 0 0 137.182 1.357 10 0 ADAERN OC[C@H](O)CC1CCCCCC1 307628844 572728422 /nfs/dbraw/zinc/72/84/22/572728422.db2.gz KPQCXLHEVZYNEJ-SNVBAGLBSA-N 0 0 172.268 1.700 10 0 ADAERN CC(C)CCCOc1ccnc(N)n1 87840354 572728428 /nfs/dbraw/zinc/72/84/28/572728428.db2.gz YOCCHKBBBVXJEB-UHFFFAOYSA-N 0 0 195.266 1.874 10 0 ADAERN CCCNc1ncnc(OC)c1CC 87840825 572728433 /nfs/dbraw/zinc/72/84/33/572728433.db2.gz APSIQDVEMWPZQN-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN CCOCCOc1cccc(NC)n1 87840944 572728461 /nfs/dbraw/zinc/72/84/61/572728461.db2.gz XWJHYWHAJTUEJR-UHFFFAOYSA-N 0 0 196.250 1.539 10 0 ADAERN CCCOc1ncnc(N)c1CCC 87841883 572728474 /nfs/dbraw/zinc/72/84/74/572728474.db2.gz XWIZGJYBHUAXGC-UHFFFAOYSA-N 0 0 195.266 1.800 10 0 ADAERN CCC(=O)Cn1ncc(Cl)c1C 70703974 572728523 /nfs/dbraw/zinc/72/85/23/572728523.db2.gz NZNBMEWMSIJAQY-UHFFFAOYSA-N 0 0 186.642 1.824 10 0 ADAERN Cc1oc2c(c1CO)CCC2 77089493 572728590 /nfs/dbraw/zinc/72/85/90/572728590.db2.gz OGUSZUYPFJUFLY-UHFFFAOYSA-N 0 0 152.193 1.569 10 0 ADAERN Cc1cc(C=O)nc(-c2ccco2)n1 54830461 572728528 /nfs/dbraw/zinc/72/85/28/572728528.db2.gz JBKNBMPLQRFVPK-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CCCCOc1ncnc(N)c1CC 87841960 572728591 /nfs/dbraw/zinc/72/85/91/572728591.db2.gz HGGWGTOKDMQREL-UHFFFAOYSA-N 0 0 195.266 1.800 10 0 ADAERN CO[C@H]1CCCC[C@@]1(O)C(F)(F)F 234808265 572728570 /nfs/dbraw/zinc/72/85/70/572728570.db2.gz HXCZEKAZPHTHIU-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN Cc1c(Cl)cnn1CC(=O)C1CC1 70703959 572728573 /nfs/dbraw/zinc/72/85/73/572728573.db2.gz QTFYSPIJYSEKOA-UHFFFAOYSA-N 0 0 198.653 1.824 10 0 ADAERN CC(C)CCOc1cc(N)ncn1 87840980 572728575 /nfs/dbraw/zinc/72/85/75/572728575.db2.gz VDSIPFKDHLTILB-UHFFFAOYSA-N 0 0 181.239 1.484 10 0 ADAERN CCC(C)(C)OCC(OC)OC 85351113 572728606 /nfs/dbraw/zinc/72/86/06/572728606.db2.gz WWXZTKURUPCMDL-UHFFFAOYSA-N 0 0 176.256 1.811 10 0 ADAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(N)=O 70710922 572728649 /nfs/dbraw/zinc/72/86/49/572728649.db2.gz QSRRFVARIXPMRP-VAOFZXAKSA-N 0 0 196.294 1.870 10 0 ADAERN COCc1oc2c(c1CO)CCC2 77089403 572728719 /nfs/dbraw/zinc/72/87/19/572728719.db2.gz YLYWAGHJDHDATN-UHFFFAOYSA-N 0 0 182.219 1.407 10 0 ADAERN COCc1oc2c(c1CO)CCCC2 77090100 572728735 /nfs/dbraw/zinc/72/87/35/572728735.db2.gz ZJTAPRXIQMCSHN-UHFFFAOYSA-N 0 0 196.246 1.797 10 0 ADAERN CCNc1cccc(OCCOC)n1 87841130 572728737 /nfs/dbraw/zinc/72/87/37/572728737.db2.gz QGBZCZZCIZEEHN-UHFFFAOYSA-N 0 0 196.250 1.539 10 0 ADAERN C/C=C\C[N@@H+]1CCCCC[C@H]1C(=O)[O-] 252475535 572728745 /nfs/dbraw/zinc/72/87/45/572728745.db2.gz SESXHJDUWWVOAO-ZMWSMAPVSA-N 0 0 197.278 1.892 10 0 ADAERN CCCc1c(N)ncnc1OC(C)C 87841262 572728753 /nfs/dbraw/zinc/72/87/53/572728753.db2.gz SGVUQXDNNGFQBI-UHFFFAOYSA-N 0 0 195.266 1.799 10 0 ADAERN C/C=C\C[C@@H](O)[C@@H](O)/C=C/C 307889512 572736671 /nfs/dbraw/zinc/73/66/71/572736671.db2.gz CHORNZUPEXQNQN-AZBCCFMHSA-N 0 0 156.225 1.251 10 0 ADAERN CCCOc1ncnc(N)c1CC 87841895 572728822 /nfs/dbraw/zinc/72/88/22/572728822.db2.gz DOUBAJSOLYKLAX-UHFFFAOYSA-N 0 0 181.239 1.410 10 0 ADAERN CCC(=O)OC[C@H](C)C1CC1 307885493 572728831 /nfs/dbraw/zinc/72/88/31/572728831.db2.gz UYEWMNCNTYDHOV-ZETCQYMHSA-N 0 0 156.225 1.986 10 0 ADAERN CNc1cncc(OCCC(C)C)n1 87840976 572728877 /nfs/dbraw/zinc/72/88/77/572728877.db2.gz ZWWXMUBHXNGUCI-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN COCc1oc(C)c(C)c1CO 77089299 572728894 /nfs/dbraw/zinc/72/88/94/572728894.db2.gz QJQUCFKVFICBQL-UHFFFAOYSA-N 0 0 170.208 1.535 10 0 ADAERN CCc1oc2c(c1CO)CCC2 77089598 572728944 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572729056 /nfs/dbraw/zinc/72/90/56/572729056.db2.gz FOCRWHUYSXBIMX-UHFFFAOYSA-N 0 0 184.264 1.140 10 0 ADAERN CCCCOc1nc(N)ncc1F 87841982 572729060 /nfs/dbraw/zinc/72/90/60/572729060.db2.gz WEXIKSDIJCWSAQ-UHFFFAOYSA-N 0 0 185.202 1.377 10 0 ADAERN C[C@H](CC(=O)[O-])SCC(C)(C)[NH3+] 85349471 572729087 /nfs/dbraw/zinc/72/90/87/572729087.db2.gz MLRLCVKVDGFDCN-ZCFIWIBFSA-N 0 0 191.296 1.320 10 0 ADAERN Cc1nc(N)cc(OCCC(C)C)n1 87841001 572729104 /nfs/dbraw/zinc/72/91/04/572729104.db2.gz UXDXUVSBBMMNOR-UHFFFAOYSA-N 0 0 195.266 1.792 10 0 ADAERN C[C@@H](O)[C@H](O)CCC(F)(F)F 235236189 572729123 /nfs/dbraw/zinc/72/91/23/572729123.db2.gz YKUSSGONRCWKQQ-RFZPGFLSSA-N 0 0 172.146 1.071 10 0 ADAERN CCNc1cncc(OCC2CC2)n1 87841636 572729163 /nfs/dbraw/zinc/72/91/63/572729163.db2.gz NFBKCBXEZHDCOT-UHFFFAOYSA-N 0 0 193.250 1.697 10 0 ADAERN C[C@@H](O)[C@H](O)CCC(C)(C)C 235236158 572729164 /nfs/dbraw/zinc/72/91/64/572729164.db2.gz GFJFDQPOOQUTEY-HTQZYQBOSA-N 0 0 160.257 1.554 10 0 ADAERN 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GGCNZMRQRIPHTB-SECBINFHSA-N 0 0 172.224 1.078 10 0 ADAERN COC(COC1CCCC1)OC 85351017 572729892 /nfs/dbraw/zinc/72/98/92/572729892.db2.gz QBCHVDUJHOHOED-UHFFFAOYSA-N 0 0 174.240 1.565 10 0 ADAERN CCC(=O)Cn1cc(Cl)c(C)n1 70703938 572729903 /nfs/dbraw/zinc/72/99/03/572729903.db2.gz POKVLSVYSQPFOD-UHFFFAOYSA-N 0 0 186.642 1.824 10 0 ADAERN C[C@@H](CC(=O)[O-])SCC(C)(C)[NH3+] 85349470 572729934 /nfs/dbraw/zinc/72/99/34/572729934.db2.gz MLRLCVKVDGFDCN-LURJTMIESA-N 0 0 191.296 1.320 10 0 ADAERN CCCOC[C@H](O)C1=COCC1 308101060 572729941 /nfs/dbraw/zinc/72/99/41/572729941.db2.gz GGCNZMRQRIPHTB-VIFPVBQESA-N 0 0 172.224 1.078 10 0 ADAERN CC(C)c1csc2nnc(CO)n12 77091631 572729961 /nfs/dbraw/zinc/72/99/61/572729961.db2.gz BZUBITYKJSWVAA-UHFFFAOYSA-N 0 0 197.263 1.407 10 0 ADAERN CC[C@H]([NH3+])CS[C@@H](CC)C(=O)[O-] 85346610 572729970 /nfs/dbraw/zinc/72/99/70/572729970.db2.gz KYARLRHYLGVGKU-BQBZGAKWSA-N 0 0 191.296 1.320 10 0 ADAERN OCc1cnoc1-c1ccccc1 85346103 572730074 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CCn1ccnc1[C@H]1CC[C@H](O)C1 70772016 572739626 /nfs/dbraw/zinc/73/96/26/572739626.db2.gz FSHDTHKIAMCIDQ-IUCAKERBSA-N 0 0 180.251 1.531 10 0 ADAERN C[C@H](O)[C@H](C)OCc1ccccn1 238482451 572739631 /nfs/dbraw/zinc/73/96/31/572739631.db2.gz MIOKVPWUPBRITG-IUCAKERBSA-N 0 0 181.235 1.368 10 0 ADAERN CCC[C@H](C)N(C)c1n[nH]c(N)n1 85419887 572739633 /nfs/dbraw/zinc/73/96/33/572739633.db2.gz GCTPTKSFGSNHBC-LURJTMIESA-N 0 0 183.259 1.012 10 0 ADAERN CC[C@H](C)N(CC)c1n[nH]c(N)n1 85420340 572739637 /nfs/dbraw/zinc/73/96/37/572739637.db2.gz HSBDBZCVFWBARK-LURJTMIESA-N 0 0 183.259 1.012 10 0 ADAERN CCCNc1cc(=O)[nH]c(CCC)n1 87907873 572739639 /nfs/dbraw/zinc/73/96/39/572739639.db2.gz IPEXDKXPMSGAOE-UHFFFAOYSA-N 0 0 195.266 1.544 10 0 ADAERN C/C=C\[C@H](C)CC(=O)CCCO 209732101 572739646 /nfs/dbraw/zinc/73/96/46/572739646.db2.gz DLKBSHQYZXGMRG-LVCFMKKZSA-N 0 0 170.252 1.930 10 0 ADAERN COC[C@H](C)CC[C@@H](C)O 70770353 572739651 /nfs/dbraw/zinc/73/96/51/572739651.db2.gz KOFLSRGHMZYFBR-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN C[C@H](O)[C@H](C)C(=O)OC1CCCC1 238481135 572739652 /nfs/dbraw/zinc/73/96/52/572739652.db2.gz SISJPJCBPNBZML-YUMQZZPRSA-N 0 0 186.251 1.489 10 0 ADAERN C[C@H](O)[C@H](C)OC(=O)OC(C)(C)C 238482315 572739660 /nfs/dbraw/zinc/73/96/60/572739660.db2.gz MMPZHUBHKRFNCS-BQBZGAKWSA-N 0 0 190.239 1.707 10 0 ADAERN CCC[C@H](CO)Cc1cnn(C)c1C 689754617 572739661 /nfs/dbraw/zinc/73/96/61/572739661.db2.gz UWLVVVABNXFXRV-JTQLQIEISA-N 0 0 196.294 1.680 10 0 ADAERN C=C=CCC[C@H](O)[C@@H](C)C(C)=O 238478914 572739673 /nfs/dbraw/zinc/73/96/73/572739673.db2.gz SRJULVRFELLTMO-WPRPVWTQSA-N 0 0 168.236 1.694 10 0 ADAERN C[C@@H]1CC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 70763846 572739682 /nfs/dbraw/zinc/73/96/82/572739682.db2.gz NGDNWJMGXBAGTD-GMSGAONNSA-N 0 0 183.251 1.382 10 0 ADAERN Cc1ccc([C@H](C)[C@@H](O)CCO)cc1 238478990 572739685 /nfs/dbraw/zinc/73/96/85/572739685.db2.gz IVMSRTBUTZDLOZ-JQWIXIFHSA-N 0 0 194.274 1.842 10 0 ADAERN CCCCCCNc1n[nH]c(N)n1 85420584 572739704 /nfs/dbraw/zinc/73/97/04/572739704.db2.gz LQDNIIGCTSBIAD-UHFFFAOYSA-N 0 0 183.259 1.379 10 0 ADAERN C[C@H]1CC[C@](C(=O)[O-])([NH+]2CCCC2)C1 70766115 572739714 /nfs/dbraw/zinc/73/97/14/572739714.db2.gz OVWZCKVILSEZTR-ONGXEEELSA-N 0 0 197.278 1.726 10 0 ADAERN C[C@@H]1CC[C@@](O)(c2cncnc2)C1 70764659 572739737 /nfs/dbraw/zinc/73/97/37/572739737.db2.gz DVEDKXZETSPJOZ-SCZZXKLOSA-N 0 0 178.235 1.484 10 0 ADAERN CCCCC[C@H]1OC(=O)C[C@H]1CO 207953264 572739745 /nfs/dbraw/zinc/73/97/45/572739745.db2.gz OKPUTBQXAACJGU-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN CCn1ccnc1[C@@H]1CC[C@H](O)C1 70772012 572739750 /nfs/dbraw/zinc/73/97/50/572739750.db2.gz FSHDTHKIAMCIDQ-BDAKNGLRSA-N 0 0 180.251 1.531 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@@H](C)CO 307903014 572746908 /nfs/dbraw/zinc/74/69/08/572746908.db2.gz XFGZFWSLZQSDBW-XHNCKOQMSA-N 0 0 160.257 1.412 10 0 ADAERN CCOC(=O)[C@@]1(O)CC[C@@H](C)C1 70766559 572739767 /nfs/dbraw/zinc/73/97/67/572739767.db2.gz MMBXDMNVBQTQDK-VXNVDRBHSA-N 0 0 172.224 1.101 10 0 ADAERN CCCc1nc(N)c(C)c(OCC)n1 87918201 572739768 /nfs/dbraw/zinc/73/97/68/572739768.db2.gz XNMUUBJEWYGQME-UHFFFAOYSA-N 0 0 195.266 1.718 10 0 ADAERN CCOC(=O)[C@]1(O)CC[C@@H](C)C1 70766554 572739783 /nfs/dbraw/zinc/73/97/83/572739783.db2.gz MMBXDMNVBQTQDK-APPZFPTMSA-N 0 0 172.224 1.101 10 0 ADAERN CC[C@@H]1CC[C@](C)(O)C1 70765680 572739788 /nfs/dbraw/zinc/73/97/88/572739788.db2.gz YOJUJBIEBMDMAW-SFYZADRCSA-N 0 0 128.215 1.948 10 0 ADAERN CC[C@H]1CC[C@@](C)(O)C1 70765678 572739793 /nfs/dbraw/zinc/73/97/93/572739793.db2.gz YOJUJBIEBMDMAW-JGVFFNPUSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@@H]1CC[C@](O)(C2CCOCC2)C1 70764676 572739827 /nfs/dbraw/zinc/73/98/27/572739827.db2.gz UQXRCESYFNVXAN-MWLCHTKSSA-N 0 0 184.279 1.964 10 0 ADAERN CCCN(CC1CC1)c1n[nH]c(N)n1 85420016 572739850 /nfs/dbraw/zinc/73/98/50/572739850.db2.gz TVTZAEIMYUOMBD-UHFFFAOYSA-N 0 0 195.270 1.013 10 0 ADAERN C[C@@H]1CC(=O)C[C@@H]2COC[C@H]21 307637257 572748982 /nfs/dbraw/zinc/74/89/82/572748982.db2.gz WLFBCKZOYDOMLS-BHNWBGBOSA-N 0 0 154.209 1.248 10 0 ADAERN C[C@H]1CC[C@@](C(=O)[O-])([NH+]2CCCC2)C1 70766109 572740970 /nfs/dbraw/zinc/74/09/70/572740970.db2.gz OVWZCKVILSEZTR-GXSJLCMTSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1ccccc1OCCOC(N)=O 238483078 572739884 /nfs/dbraw/zinc/73/98/84/572739884.db2.gz MDGSABVKGFGMED-UHFFFAOYSA-N 0 0 195.218 1.469 10 0 ADAERN C[C@@H]1CC[C@@](C(=O)[O-])([NH+]2CCCC2)C1 70766106 572739891 /nfs/dbraw/zinc/73/98/91/572739891.db2.gz OVWZCKVILSEZTR-MWLCHTKSSA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@@H]1CC[C@@](C)(O)C1 70765676 572739895 /nfs/dbraw/zinc/73/98/95/572739895.db2.gz YOJUJBIEBMDMAW-HTQZYQBOSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@@H]1CC[C@@](O)(c2cnn(C)c2)C1 70764825 572740007 /nfs/dbraw/zinc/74/00/07/572740007.db2.gz SABKKQLFUNTBFW-SCZZXKLOSA-N 0 0 180.251 1.428 10 0 ADAERN CCN[C@@H]([C@H](C)OC)C(F)(F)F 307895178 572740013 /nfs/dbraw/zinc/74/00/13/572740013.db2.gz PGUGZEXDSINKFE-WDSKDSINSA-N 0 0 185.189 1.562 10 0 ADAERN CC[C@H]1CC[C@@](O)(c2nccn2C)C1 70765225 572740023 /nfs/dbraw/zinc/74/00/23/572740023.db2.gz FPHDRQBTXQTERN-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN O=C([O-])[C@H]1CC[C@H]1[NH2+]CCCC1CC1 236454125 572740033 /nfs/dbraw/zinc/74/00/33/572740033.db2.gz YOVJKPJYLMPOKF-VHSXEESVSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1nnsc1C[C@H]1CCC[C@@H]1O 307632996 572740047 /nfs/dbraw/zinc/74/00/47/572740047.db2.gz MVJPKKKNXKZQHX-SFYZADRCSA-N 0 0 198.291 1.550 10 0 ADAERN CCc1nc(N)cc(O[C@H](C)CC)n1 87906617 572740059 /nfs/dbraw/zinc/74/00/59/572740059.db2.gz IYQFCCJMDLNMBF-SSDOTTSWSA-N 0 0 195.266 1.799 10 0 ADAERN O=C1N[C@@H]2[C@@H]1C=CCC[C@H]1C[C@H]12 254531380 572740061 /nfs/dbraw/zinc/74/00/61/572740061.db2.gz PGULKXCUSMIPFI-RBXMUDONSA-N 0 0 163.220 1.087 10 0 ADAERN CCN[C@H]([C@@H](C)OC)C(F)(F)F 307895175 572740080 /nfs/dbraw/zinc/74/00/80/572740080.db2.gz PGUGZEXDSINKFE-PHDIDXHHSA-N 0 0 185.189 1.562 10 0 ADAERN C[C@@H](O)CCc1cncc(F)c1 70770732 572740086 /nfs/dbraw/zinc/74/00/86/572740086.db2.gz ZFTBQMVOTIRRDT-SSDOTTSWSA-N 0 0 169.199 1.534 10 0 ADAERN CC1=C[C@H](C(=O)OCCO)[C@@H](C)CC1 238479053 572740116 /nfs/dbraw/zinc/74/01/16/572740116.db2.gz BANQFZKQOUVQNW-UWVGGRQHSA-N 0 0 198.262 1.514 10 0 ADAERN COCCC[C@@H]1CC[C@H](O)C1 70771760 572740118 /nfs/dbraw/zinc/74/01/18/572740118.db2.gz FAKNGGXZIWYMLG-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)COC[C@H]1CCC2(C[NH2+]C2)O1 686238298 572740124 /nfs/dbraw/zinc/74/01/24/572740124.db2.gz YVQPYSNUAUACOS-SNVBAGLBSA-N 0 0 199.294 1.180 10 0 ADAERN CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@@H](C)C1 70763840 572740131 /nfs/dbraw/zinc/74/01/31/572740131.db2.gz DKPPKXJJROUAMY-SCZZXKLOSA-N 0 0 185.267 1.628 10 0 ADAERN Cc1ccccc1OC[C@H](O)CF 238483844 572740166 /nfs/dbraw/zinc/74/01/66/572740166.db2.gz DXHQXQHUDGIJHA-SECBINFHSA-N 0 0 184.210 1.704 10 0 ADAERN Cn1ccnc1[C@@H]1CCC[C@@H](O)C1 70773145 572742144 /nfs/dbraw/zinc/74/21/44/572742144.db2.gz BBIMNRVPFHRCHU-RKDXNWHRSA-N 0 0 180.251 1.439 10 0 ADAERN O=C([O-])[C@H]([NH2+]CCCC1CC1)C1CC1 236453790 572740228 /nfs/dbraw/zinc/74/02/28/572740228.db2.gz RLOCGWHLVANQDT-SNVBAGLBSA-N 0 0 197.278 1.629 10 0 ADAERN Nc1cc(C(F)(F)F)ncc1C=O 307633139 572740237 /nfs/dbraw/zinc/74/02/37/572740237.db2.gz NLGGSYOQTCEKTL-UHFFFAOYSA-N 0 0 190.124 1.495 10 0 ADAERN CC[C@@H]1CC/C(=C2\CC(=O)NC2=O)C1 70767391 572740244 /nfs/dbraw/zinc/74/02/44/572740244.db2.gz CNQCBWBCDJMWFZ-HPWUZBQLSA-N 0 0 193.246 1.540 10 0 ADAERN Cc1ccsc1-c1noc(CO)n1 307633073 572740249 /nfs/dbraw/zinc/74/02/49/572740249.db2.gz NEJFJWGHMMCUJO-UHFFFAOYSA-N 0 0 196.231 1.599 10 0 ADAERN CC[C@H]1CC[C@]([NH2+]C)(C(=O)[O-])C1 70763819 572740276 /nfs/dbraw/zinc/74/02/76/572740276.db2.gz IIHJPBUWAWCAOH-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H]1CC[C@@](O)(c2cncnc2)C1 70764661 572740283 /nfs/dbraw/zinc/74/02/83/572740283.db2.gz DVEDKXZETSPJOZ-WPRPVWTQSA-N 0 0 178.235 1.484 10 0 ADAERN C[C@H](O)CCC[C@H]1CCCO1 70770366 572740340 /nfs/dbraw/zinc/74/03/40/572740340.db2.gz YXNVWBFFCOOYAB-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@H]1CC[C@](O)(C2CCOCC2)C1 70764678 572740366 /nfs/dbraw/zinc/74/03/66/572740366.db2.gz UQXRCESYFNVXAN-GXSJLCMTSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H]1CC[C@](O)(c2cnn(C)c2)C1 70764823 572740373 /nfs/dbraw/zinc/74/03/73/572740373.db2.gz SABKKQLFUNTBFW-WCBMZHEXSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H]1CC[C@@]2(C1)C[C@H](O)CCO2 70767240 572740379 /nfs/dbraw/zinc/74/03/79/572740379.db2.gz ZWNCYWDMCJVTAU-OPRDCNLKSA-N 0 0 170.252 1.717 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H]1NOC1CCCC1 236451135 572740383 /nfs/dbraw/zinc/74/03/83/572740383.db2.gz CREPFPJCMIOVHT-IUCAKERBSA-N 0 0 199.250 1.313 10 0 ADAERN Cc1ccc(C[C@H](O)CCO)cc1 238478456 572740384 /nfs/dbraw/zinc/74/03/84/572740384.db2.gz IZRDHLRORXHFIC-LLVKDONJSA-N 0 0 180.247 1.281 10 0 ADAERN CC[C@@H]1CC[C@]([NH2+]C)(C(=O)[O-])C1 70763818 572740396 /nfs/dbraw/zinc/74/03/96/572740396.db2.gz IIHJPBUWAWCAOH-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN CCCn1ccnc1[C@H]1CC[C@H](O)C1 70771393 572740429 /nfs/dbraw/zinc/74/04/29/572740429.db2.gz QCGZMOOACFHPKS-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN CCC[C@@H](C)N(C)c1n[nH]c(N)n1 85419886 572740443 /nfs/dbraw/zinc/74/04/43/572740443.db2.gz GCTPTKSFGSNHBC-ZCFIWIBFSA-N 0 0 183.259 1.012 10 0 ADAERN C/C(=C/C=C/C=C/C=C(\C)CO)CO 238478389 572740446 /nfs/dbraw/zinc/74/04/46/572740446.db2.gz QYMIAWIGHHHJHQ-CMWFUAEGSA-N 0 0 194.274 1.976 10 0 ADAERN CC[C@@H]1CC[C@@](O)(c2ccnn2C)C1 70765931 572740455 /nfs/dbraw/zinc/74/04/55/572740455.db2.gz GWNWOTJRKQFWEV-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN CC(C)CN(c1n[nH]c(N)n1)C1CC1 85420087 572740459 /nfs/dbraw/zinc/74/04/59/572740459.db2.gz PAACKSCHSMTIQX-UHFFFAOYSA-N 0 0 195.270 1.012 10 0 ADAERN CC=CC=CC(=O)NCc1cc[nH]n1 87876215 572740460 /nfs/dbraw/zinc/74/04/60/572740460.db2.gz WTFLWKHZKSJRNH-LDIADDGTSA-N 0 0 191.234 1.158 10 0 ADAERN COC[C@H](C)CCCO 70769953 572740461 /nfs/dbraw/zinc/74/04/61/572740461.db2.gz ZGGMULXHIOGJPG-SSDOTTSWSA-N 0 0 132.203 1.041 10 0 ADAERN CCn1ccnc1[C@@H]1CC[C@@H](O)C1 70772017 572740468 /nfs/dbraw/zinc/74/04/68/572740468.db2.gz FSHDTHKIAMCIDQ-RKDXNWHRSA-N 0 0 180.251 1.531 10 0 ADAERN CC=CC=CC(=O)NCc1cc[nH]n1 87876218 572740509 /nfs/dbraw/zinc/74/05/09/572740509.db2.gz WTFLWKHZKSJRNH-AWYLAFAOSA-N 0 0 191.234 1.158 10 0 ADAERN C[C@H](O)CCC[C@@H]1CCCO1 70770361 572740551 /nfs/dbraw/zinc/74/05/51/572740551.db2.gz YXNVWBFFCOOYAB-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@H]1Cc2cc(O)cc(O)c2N1 713742967 572740570 /nfs/dbraw/zinc/74/05/70/572740570.db2.gz DRADOMFSNRIWMT-YFKPBYRVSA-N 0 0 165.192 1.454 10 0 ADAERN C[C@H]1CC[C@@](O)(C2CCOCC2)C1 70764682 572740586 /nfs/dbraw/zinc/74/05/86/572740586.db2.gz UQXRCESYFNVXAN-ONGXEEELSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1ncc([C@@H](O)C(F)F)s1 307633081 572740593 /nfs/dbraw/zinc/74/05/93/572740593.db2.gz NEODVAXVYQUGGJ-RXMQYKEDSA-N 0 0 179.191 1.750 10 0 ADAERN C[C@@H]1CC[C@](O)(c2cnn(C)c2)C1 70764822 572740598 /nfs/dbraw/zinc/74/05/98/572740598.db2.gz SABKKQLFUNTBFW-PSASIEDQSA-N 0 0 180.251 1.428 10 0 ADAERN 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ABKTWIQFQPGJFF-MWLCHTKSSA-N 0 0 194.278 1.514 10 0 ADAERN COC[C@H](C)[C@H]1CCC[C@H](O)C1 70773451 572742202 /nfs/dbraw/zinc/74/22/02/572742202.db2.gz BDPPFYCFUNMPJG-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN COC[C@H](C)[C@@H]1CCC[C@H](O)C1 70773444 572742227 /nfs/dbraw/zinc/74/22/27/572742227.db2.gz BDPPFYCFUNMPJG-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN CCC[C@@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920312 572742236 /nfs/dbraw/zinc/74/22/36/572742236.db2.gz UKUSLDIQGYRSGM-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1ccccc1O[C@H](O)CCO 238484730 572742245 /nfs/dbraw/zinc/74/22/45/572742245.db2.gz GJRALLVTMBXENB-JTQLQIEISA-N 0 0 182.219 1.075 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 87920351 572742252 /nfs/dbraw/zinc/74/22/52/572742252.db2.gz CHUPEVFNNRHKEX-XHNCKOQMSA-N 0 0 183.251 1.334 10 0 ADAERN Cn1ccnc1[C@H]1CCC[C@H](O)C1 70773142 572742255 /nfs/dbraw/zinc/74/22/55/572742255.db2.gz BBIMNRVPFHRCHU-IUCAKERBSA-N 0 0 180.251 1.439 10 0 ADAERN CCn1nccc1[C@@H]1CC[C@@H](O)C1 70772338 572742288 /nfs/dbraw/zinc/74/22/88/572742288.db2.gz STIBJXKXDGFABC-RKDXNWHRSA-N 0 0 180.251 1.531 10 0 ADAERN C/C=C\[C@@H]1CCC[C@H](CO)O1 307899452 572742304 /nfs/dbraw/zinc/74/23/04/572742304.db2.gz QLPVKGKKQJTYHX-HWTYGCMBSA-N 0 0 156.225 1.493 10 0 ADAERN O=C1CCN(CCc2ccsc2)C1 49183771 572742333 /nfs/dbraw/zinc/74/23/33/572742333.db2.gz LKIINZYALMEIGJ-UHFFFAOYSA-N 0 0 195.287 1.565 10 0 ADAERN CCC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920313 572742351 /nfs/dbraw/zinc/74/23/51/572742351.db2.gz UKUSLDIQGYRSGM-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN COC(OC)[C@H](O)c1cnccc1C 85440591 572742366 /nfs/dbraw/zinc/74/23/66/572742366.db2.gz VDEARTABDDOBQN-SECBINFHSA-N 0 0 197.234 1.042 10 0 ADAERN Nc1ncccc1[C@H]1CCC[C@H](O)C1 70774091 572742383 /nfs/dbraw/zinc/74/23/83/572742383.db2.gz MOXLYWPDTSMWND-IUCAKERBSA-N 0 0 192.262 1.682 10 0 ADAERN COCCC[C@@H]1CCC[C@H](O)C1 70773814 572742529 /nfs/dbraw/zinc/74/25/29/572742529.db2.gz MWXRWRNGNJALAT-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CCn1nccc1[C@H]1CC[C@H](O)C1 70772333 572742421 /nfs/dbraw/zinc/74/24/21/572742421.db2.gz STIBJXKXDGFABC-IUCAKERBSA-N 0 0 180.251 1.531 10 0 ADAERN Nc1ncccc1[C@@H]1CCC[C@@H](O)C1 70774094 572742432 /nfs/dbraw/zinc/74/24/32/572742432.db2.gz MOXLYWPDTSMWND-RKDXNWHRSA-N 0 0 192.262 1.682 10 0 ADAERN CCC[C@@H](C)CC(=O)N1CC1 307899734 572742455 /nfs/dbraw/zinc/74/24/55/572742455.db2.gz LXNNEUWZYWJJCH-MRVPVSSYSA-N 0 0 155.241 1.655 10 0 ADAERN Cn1cc([C@@H]2CCC[C@@H](O)C2)cn1 70774565 572742462 /nfs/dbraw/zinc/74/24/62/572742462.db2.gz BZNAFVYZYMYSQF-PSASIEDQSA-N 0 0 180.251 1.439 10 0 ADAERN Cn1cc(C[C@H]2CCC[C@H](O)C2)cn1 70772979 572742474 /nfs/dbraw/zinc/74/24/74/572742474.db2.gz ABKTWIQFQPGJFF-KOLCDFICSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc([C@H]2CCC[C@H](O)C2)cn1 70774562 572742481 /nfs/dbraw/zinc/74/24/81/572742481.db2.gz BZNAFVYZYMYSQF-WPRPVWTQSA-N 0 0 180.251 1.439 10 0 ADAERN Cn1cc(C[C@@H]2CCC[C@H](O)C2)cn1 70772977 572742497 /nfs/dbraw/zinc/74/24/97/572742497.db2.gz ABKTWIQFQPGJFF-ONGXEEELSA-N 0 0 194.278 1.514 10 0 ADAERN COCCC[C@H]1CCC[C@@H](O)C1 70773823 572742509 /nfs/dbraw/zinc/74/25/09/572742509.db2.gz MWXRWRNGNJALAT-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CCn1nccc1[C@H]1CC[C@@H](O)C1 70772343 572742520 /nfs/dbraw/zinc/74/25/20/572742520.db2.gz STIBJXKXDGFABC-DTWKUNHWSA-N 0 0 180.251 1.531 10 0 ADAERN CC[C@H](O[C@@H](C)C(F)(F)F)C(N)=O 85422328 572742528 /nfs/dbraw/zinc/74/25/28/572742528.db2.gz BOYHTTDLCUBXJE-WHFBIAKZSA-N 0 0 199.172 1.218 10 0 ADAERN NN=Cc1cc(Br)co1 393487767 572742535 /nfs/dbraw/zinc/74/25/35/572742535.db2.gz QOXHAFZUFVHLME-UHFFFAOYSA-N 0 0 189.012 1.335 10 0 ADAERN CCC(C)(C)[N@H+](C)[C@H]1CC[C@@H]1C(=O)[O-] 87920686 572742541 /nfs/dbraw/zinc/74/25/41/572742541.db2.gz GCZFEMVCMIOUDU-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN C[N@H+](CC1CC1)[C@@H]1CC[C@@H]1C(=O)[O-] 87920354 572742549 /nfs/dbraw/zinc/74/25/49/572742549.db2.gz MKCRHPVDHOXQRR-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN Cn1ccnc1[C@@H]1CCC[C@H](O)C1 70773139 572742554 /nfs/dbraw/zinc/74/25/54/572742554.db2.gz BBIMNRVPFHRCHU-BDAKNGLRSA-N 0 0 180.251 1.439 10 0 ADAERN CC(=NN)c1cc(N)ccc1F 393485944 572742561 /nfs/dbraw/zinc/74/25/61/572742561.db2.gz XKLUGAQEQNHZND-UHFFFAOYSA-N 0 0 167.187 1.091 10 0 ADAERN Cn1nccc1[C@@H]1CC[C@@H](O)C1 70772356 572742581 /nfs/dbraw/zinc/74/25/81/572742581.db2.gz LUMQSUVVCZFGCD-HTQZYQBOSA-N 0 0 166.224 1.049 10 0 ADAERN CC(C)C[N@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920260 572742621 /nfs/dbraw/zinc/74/26/21/572742621.db2.gz AZKKGFLQVDEJBK-DTWKUNHWSA-N 0 0 185.267 1.437 10 0 ADAERN CCO[C@@H](C)[C@@H](O)c1cnccc1C 85441044 572742662 /nfs/dbraw/zinc/74/26/62/572742662.db2.gz DLQHLCCMMJKUBY-GXSJLCMTSA-N 0 0 195.262 1.848 10 0 ADAERN C[C@@H](OC[C@H](O)C1CC1)C(F)(F)F 85422399 572742694 /nfs/dbraw/zinc/74/26/94/572742694.db2.gz BIEJWFBJDAHDMM-VDTYLAMSSA-N 0 0 198.184 1.725 10 0 ADAERN COC[C@H](C)Oc1ncc(C)cc1N 85426517 572742725 /nfs/dbraw/zinc/74/27/25/572742725.db2.gz PDJBHRAAOIQOCL-QMMMGPOBSA-N 0 0 196.250 1.386 10 0 ADAERN CC[N@H+](C)C[C@@H](C(=O)[O-])C(F)(F)F 87921000 572742729 /nfs/dbraw/zinc/74/27/29/572742729.db2.gz CJFICODJLUYQCX-YFKPBYRVSA-N 0 0 199.172 1.201 10 0 ADAERN CC[C@H](C)[N@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920263 572742747 /nfs/dbraw/zinc/74/27/47/572742747.db2.gz QFJXXPGJLGWZFG-XHNCKOQMSA-N 0 0 185.267 1.580 10 0 ADAERN CCCOC[C@H](O)c1cnccc1C 85440994 572742770 /nfs/dbraw/zinc/74/27/70/572742770.db2.gz QUEBIBTVBSMBSU-NSHDSACASA-N 0 0 195.262 1.850 10 0 ADAERN C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920682 572745567 /nfs/dbraw/zinc/74/55/67/572745567.db2.gz PGLJBZNLSMRTFJ-AATLWQCWSA-N 0 0 197.278 1.437 10 0 ADAERN CCC[N@H+](C1CC1)[C@H]1CC[C@@H]1C(=O)[O-] 87920257 572742813 /nfs/dbraw/zinc/74/28/13/572742813.db2.gz JBEFXUNOTZZVQQ-UWVGGRQHSA-N 0 0 197.278 1.724 10 0 ADAERN CCC[N@H+](CC)[C@@H]1CC[C@@H]1C(=O)[O-] 87920252 572742825 /nfs/dbraw/zinc/74/28/25/572742825.db2.gz ZPYJFFYFNZXRJR-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](OC[C@@H](O)C1CC1)C(F)(F)F 85422401 572742861 /nfs/dbraw/zinc/74/28/61/572742861.db2.gz BIEJWFBJDAHDMM-IYSWYEEDSA-N 0 0 198.184 1.725 10 0 ADAERN CCO[C@H](C)[C@@H](O)C(C)C 70830262 572742865 /nfs/dbraw/zinc/74/28/65/572742865.db2.gz TZHVZXXAOBCFIR-SFYZADRCSA-N 0 0 146.230 1.428 10 0 ADAERN C[C@H]1CCO[C@H](CCCCO)O1 238474353 572742912 /nfs/dbraw/zinc/74/29/12/572742912.db2.gz SRFLPHDZJQOADQ-IUCAKERBSA-N 0 0 174.240 1.301 10 0 ADAERN COCCC(=O)c1cnccc1C 85440811 572742932 /nfs/dbraw/zinc/74/29/32/572742932.db2.gz XZWQGQGWLSZUCR-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN C[C@@H](O)CCO[C@H](C)C(F)(F)F 85422361 572742957 /nfs/dbraw/zinc/74/29/57/572742957.db2.gz WIGVFYFFSLNBSH-PHDIDXHHSA-N 0 0 186.173 1.725 10 0 ADAERN OCCCSCc1ncc[nH]1 307899765 572742965 /nfs/dbraw/zinc/74/29/65/572742965.db2.gz LZVFAFXHGIZUOB-UHFFFAOYSA-N 0 0 172.253 1.025 10 0 ADAERN CC(C)(CO)c1nc2cc[nH]cc-2n1 70801654 572742980 /nfs/dbraw/zinc/74/29/80/572742980.db2.gz OSSLYUXEZUWKAK-UHFFFAOYSA-N 0 0 191.234 1.228 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1ncc(N)cn1 70827954 572742989 /nfs/dbraw/zinc/74/29/89/572742989.db2.gz OCMHQFNZYSHGQW-CBAPKCEASA-N 0 0 192.266 1.659 10 0 ADAERN CCCCN(C)c1nc(N)ns1 85437879 572742990 /nfs/dbraw/zinc/74/29/90/572742990.db2.gz RVBQQBRRKXNVSU-UHFFFAOYSA-N 0 0 186.284 1.357 10 0 ADAERN CCN(CC1CC1)c1nc(N)ns1 85438088 572743012 /nfs/dbraw/zinc/74/30/12/572743012.db2.gz AIEODGZGOPHNHO-UHFFFAOYSA-N 0 0 198.295 1.357 10 0 ADAERN Cc1ccc([C@@H](C)NC(N)=S)o1 49203869 572743025 /nfs/dbraw/zinc/74/30/25/572743025.db2.gz HLQVQLWONWLAAQ-ZCFIWIBFSA-N 0 0 184.264 1.482 10 0 ADAERN CCCOC[C@@H](O)c1cnccc1C 85440996 572743048 /nfs/dbraw/zinc/74/30/48/572743048.db2.gz QUEBIBTVBSMBSU-LLVKDONJSA-N 0 0 195.262 1.850 10 0 ADAERN CC[C@H](C)[N@H+](CC)[C@@H]1CC[C@@H]1C(=O)[O-] 87920267 572743061 /nfs/dbraw/zinc/74/30/61/572743061.db2.gz YQLMNGRVVASHLA-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN CCO[C@@H](C)C(=O)c1cnn(CC)c1 70828271 572743063 /nfs/dbraw/zinc/74/30/63/572743063.db2.gz 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1.719 10 0 ADAERN CC[C@@H](NC)C(=O)OCC1CCCC1 85488460 572750722 /nfs/dbraw/zinc/75/07/22/572750722.db2.gz XYLFQTGQDLJHLI-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN COC[C@@](C)(O)c1ccc(F)c(C)c1 55193290 572750778 /nfs/dbraw/zinc/75/07/78/572750778.db2.gz CZMYZRMOBQKEKI-LLVKDONJSA-N 0 0 198.237 1.988 10 0 ADAERN CC[C@H](O)[C@@H](F)CC[C@H](C)O 307908918 572750792 /nfs/dbraw/zinc/75/07/92/572750792.db2.gz FPKSFBQXZRVMLQ-FXQIFTODSA-N 0 0 164.220 1.256 10 0 ADAERN C[C@H](O)[C@@H](C)OCC1CCCC1 85488963 572750795 /nfs/dbraw/zinc/75/07/95/572750795.db2.gz VNAFOVYTEJMEAB-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN CCCOC(=O)[C@@H]1CC[C@@H](C)O1 87924238 572750808 /nfs/dbraw/zinc/75/08/08/572750808.db2.gz XVJJQCNUCIGEBQ-SFYZADRCSA-N 0 0 172.224 1.507 10 0 ADAERN COC[C@@](C)(O)c1ccc(F)cc1C 55193285 572750817 /nfs/dbraw/zinc/75/08/17/572750817.db2.gz ZPYSRVZRXXALQL-LLVKDONJSA-N 0 0 198.237 1.988 10 0 ADAERN C[C@@H](Nc1ccc(F)nc1)C(C)(C)O 235247712 572750823 /nfs/dbraw/zinc/75/08/23/572750823.db2.gz CTVSWGKCVFVVLB-SSDOTTSWSA-N 0 0 198.241 1.792 10 0 ADAERN C[C@H](N[C@@H]1C[C@H]1C)C(=O)OC(C)(C)C 85494404 572750888 /nfs/dbraw/zinc/75/08/88/572750888.db2.gz AKEKMTHVPJZLER-HRDYMLBCSA-N 0 0 199.294 1.715 10 0 ADAERN CC(=O)c1c(C)csc1N 196899044 572750878 /nfs/dbraw/zinc/75/08/78/572750878.db2.gz NACKDSIUDXINSC-UHFFFAOYSA-N 0 0 155.222 1.841 10 0 ADAERN CC(=O)CCCO[C@H]1CCCCO1 39116986 572750879 /nfs/dbraw/zinc/75/08/79/572750879.db2.gz CJOLKVLSMKEIPE-JTQLQIEISA-N 0 0 186.251 1.899 10 0 ADAERN COC[C@](C)(O)c1ccc(F)c(C)c1 55193293 572750896 /nfs/dbraw/zinc/75/08/96/572750896.db2.gz CZMYZRMOBQKEKI-NSHDSACASA-N 0 0 198.237 1.988 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1C1CCC1 235335339 572750918 /nfs/dbraw/zinc/75/09/18/572750918.db2.gz QRBBZAYZKVFQMS-BDAKNGLRSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H](C(=O)OC(C)(C)C)n1ccnc1 85493934 572750946 /nfs/dbraw/zinc/75/09/46/572750946.db2.gz KUBIJLCEYAVVKM-QMMMGPOBSA-N 0 0 196.250 1.786 10 0 ADAERN Cc1cc(=O)n2nc3ccccc3c2[nH]1 238504384 572751000 /nfs/dbraw/zinc/75/10/00/572751000.db2.gz NLZQYTGGUHAEDK-UHFFFAOYSA-N 0 0 199.213 1.484 10 0 ADAERN CC[C@@H](C)CNc1cc(OC)ncn1 85485078 572751539 /nfs/dbraw/zinc/75/15/39/572751539.db2.gz AXNKDCSFOFJCJV-MRVPVSSYSA-N 0 0 195.266 1.943 10 0 ADAERN C[C@H](C(=O)OC(C)(C)C)[S@@](C)=O 85494876 572751037 /nfs/dbraw/zinc/75/10/37/572751037.db2.gz HTPRIROHZKMRDC-INWYIAFRSA-N 0 0 192.280 1.095 10 0 ADAERN C[C@@H](CC(=O)[O-])Cc1c[nH+]ccc1N 87925247 572751052 /nfs/dbraw/zinc/75/10/52/572751052.db2.gz KYYQARGCTFQLGE-SSDOTTSWSA-N 0 0 194.234 1.317 10 0 ADAERN CCOC(=O)CCc1cncc(F)c1 85490996 572751188 /nfs/dbraw/zinc/75/11/88/572751188.db2.gz OQSLNADAKAOXFY-UHFFFAOYSA-N 0 0 197.209 1.716 10 0 ADAERN CC(=O)[C@H](C)[NH+]1CCC([C@@H](C)O)CC1 235247708 572751263 /nfs/dbraw/zinc/75/12/63/572751263.db2.gz VTMMVVHUPIQNBF-WCBMZHEXSA-N 0 0 199.294 1.057 10 0 ADAERN CN[C@@H](C)C(=O)OCC1CCCC1 85488573 572751314 /nfs/dbraw/zinc/75/13/14/572751314.db2.gz ALRWTHGFYQZURO-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@@H]1CC[C@H](Nc2nnc(N)o2)[C@@H]1C 235336248 572751320 /nfs/dbraw/zinc/75/13/20/572751320.db2.gz BYIVDPDHNACDAE-QYNIQEEDSA-N 0 0 196.254 1.498 10 0 ADAERN Cc1nc2ccc(N)cc2c2n[nH]nc12 238501759 572751325 /nfs/dbraw/zinc/75/13/25/572751325.db2.gz FUTLHXLZRGWUAA-UHFFFAOYSA-N 0 0 199.217 1.397 10 0 ADAERN CC(C)C[C@H](NN)C1=COCC1 308115701 572760147 /nfs/dbraw/zinc/76/01/47/572760147.db2.gz MLGVTCWPUWXWQE-VIFPVBQESA-N 0 0 170.256 1.169 10 0 ADAERN CC(C)=C=C1C[C@]1(C)CO 196898740 572751346 /nfs/dbraw/zinc/75/13/46/572751346.db2.gz MZGBNANXXVAPHH-SECBINFHSA-N 0 0 138.210 1.880 10 0 ADAERN CCOC(=O)CCc1nccn1CC 85491049 572751375 /nfs/dbraw/zinc/75/13/75/572751375.db2.gz VMYYEWAORJIBEW-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN CCO[C@H](C)C(=O)OC(C)(C)C 85493356 572751399 /nfs/dbraw/zinc/75/13/99/572751399.db2.gz XRGDJVAGXXEXMK-SSDOTTSWSA-N 0 0 174.240 1.753 10 0 ADAERN C[C@H](OCC1CCCC1)[C@@H](C)O 85488966 572751408 /nfs/dbraw/zinc/75/14/08/572751408.db2.gz VNAFOVYTEJMEAB-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN CNC(C)(C)C(=O)OCC1CCCC1 85488488 572751434 /nfs/dbraw/zinc/75/14/34/572751434.db2.gz SYDCWBHDPGMGLQ-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)[C@H](C)OCC1CCCC1 85486848 572751467 /nfs/dbraw/zinc/75/14/67/572751467.db2.gz FRBXYGSMWXGVMM-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN [NH3+]C[C@](CC(F)F)(C(=O)[O-])C1CC1 236203196 572751491 /nfs/dbraw/zinc/75/14/91/572751491.db2.gz OOYDDXNVJZHFGE-QMMMGPOBSA-N 0 0 193.193 1.081 10 0 ADAERN C[C@@H](O)[C@@H](C)OCC1CCCC1 85488964 572751503 /nfs/dbraw/zinc/75/15/03/572751503.db2.gz VNAFOVYTEJMEAB-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](NC)C(=O)OCC1CCCC1 85488457 572751507 /nfs/dbraw/zinc/75/15/07/572751507.db2.gz XYLFQTGQDLJHLI-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN C[C@@H]1CC(=O)C[C@@](C)(O)C1 196897373 572751524 /nfs/dbraw/zinc/75/15/24/572751524.db2.gz GDBNMXZMUXZSKV-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@H]1OC2(CCCCC2)O[C@H]1CO 196890106 572751559 /nfs/dbraw/zinc/75/15/59/572751559.db2.gz LFGIXMLXSWUOOX-BDAKNGLRSA-N 0 0 186.251 1.443 10 0 ADAERN C[C@@H](C(=O)OC(C)(C)C)[S@@](C)=O 85494873 572751566 /nfs/dbraw/zinc/75/15/66/572751566.db2.gz HTPRIROHZKMRDC-QTTZVWFDSA-N 0 0 192.280 1.095 10 0 ADAERN CC(C)OC(=S)SC[C@@H](C)O 307909280 572751586 /nfs/dbraw/zinc/75/15/86/572751586.db2.gz VFXUPTWTLJDFMK-ZCFIWIBFSA-N 0 0 194.321 1.810 10 0 ADAERN C[C@H](N[C@H]1C[C@H]1C)C(=O)OC(C)(C)C 85494399 572751611 /nfs/dbraw/zinc/75/16/11/572751611.db2.gz AKEKMTHVPJZLER-VGMNWLOBSA-N 0 0 199.294 1.715 10 0 ADAERN CCC(=O)[C@@H](C)C(=O)OC(C)(C)C 85494926 572751626 /nfs/dbraw/zinc/75/16/26/572751626.db2.gz AMUJTULVPVRWSC-SSDOTTSWSA-N 0 0 186.251 1.943 10 0 ADAERN C[C@H](O)CCOCC1CCCC1 85489016 572751649 /nfs/dbraw/zinc/75/16/49/572751649.db2.gz JJOLBRSZXJCENI-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN Cc1n[nH]c(=O)c2c1[nH]c1ccccc12 238505583 572751684 /nfs/dbraw/zinc/75/16/84/572751684.db2.gz QTWQFBNCKZUTOE-UHFFFAOYSA-N 0 0 199.213 1.713 10 0 ADAERN CC[C@H](OCC1CCCC1)C(N)=O 85488893 572751670 /nfs/dbraw/zinc/75/16/70/572751670.db2.gz JHJHMVILJWLMKA-VIFPVBQESA-N 0 0 185.267 1.457 10 0 ADAERN C[C@@H](NC1CCC1)C(=O)OC(C)(C)C 85494395 572751680 /nfs/dbraw/zinc/75/16/80/572751680.db2.gz ICWRYAVWCBTIRH-MRVPVSSYSA-N 0 0 199.294 1.859 10 0 ADAERN CCO[C@@H](C)C(=O)OC(C)(C)C 85493354 572751748 /nfs/dbraw/zinc/75/17/48/572751748.db2.gz XRGDJVAGXXEXMK-ZETCQYMHSA-N 0 0 174.240 1.753 10 0 ADAERN C[C@H](N[C@@H]1C[C@@H]1C)C(=O)OC(C)(C)C 85494406 572751751 /nfs/dbraw/zinc/75/17/51/572751751.db2.gz AKEKMTHVPJZLER-XHNCKOQMSA-N 0 0 199.294 1.715 10 0 ADAERN C[C@H](C(=O)OC(C)(C)C)[S@](C)=O 85494869 572751873 /nfs/dbraw/zinc/75/18/73/572751873.db2.gz HTPRIROHZKMRDC-SREIQFSDSA-N 0 0 192.280 1.095 10 0 ADAERN C[C@H](OCC1CCCC1)C(N)=O 85488886 572751877 /nfs/dbraw/zinc/75/18/77/572751877.db2.gz WBKDZHVOUAMFSY-ZETCQYMHSA-N 0 0 171.240 1.067 10 0 ADAERN C[C@@H](C(=O)OC(C)(C)C)[S@](C)=O 85494865 572751899 /nfs/dbraw/zinc/75/18/99/572751899.db2.gz HTPRIROHZKMRDC-PWCHPLFNSA-N 0 0 192.280 1.095 10 0 ADAERN C=C/C=C\CC[C@H](NN)[C@H](C)OC 713744758 572751932 /nfs/dbraw/zinc/75/19/32/572751932.db2.gz DHJMGZLDZDXOMW-QEJZFVATSA-N 0 0 184.283 1.376 10 0 ADAERN C[C@@H]1CC(=O)C[C@](C)(O)C1 196897389 572751964 /nfs/dbraw/zinc/75/19/64/572751964.db2.gz GDBNMXZMUXZSKV-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN CC[C@H](C)Cn1c(N)n[nH]c1=S 70881983 572751993 /nfs/dbraw/zinc/75/19/93/572751993.db2.gz GUFNRFZJICKMCM-YFKPBYRVSA-N 0 0 186.284 1.569 10 0 ADAERN O=C1CC[C@@H]2CCC[C@H]2C(=O)C1 196899278 572752003 /nfs/dbraw/zinc/75/20/03/572752003.db2.gz ZXWMKNHOSAYZHZ-IONNQARKSA-N 0 0 166.220 1.725 10 0 ADAERN CCONCCCCCOC 307909261 572752092 /nfs/dbraw/zinc/75/20/92/572752092.db2.gz VDSWAGWLYPSZEB-UHFFFAOYSA-N 0 0 161.245 1.344 10 0 ADAERN C[C@@H](OCC1CCCC1)C(N)=O 85488891 572752124 /nfs/dbraw/zinc/75/21/24/572752124.db2.gz WBKDZHVOUAMFSY-SSDOTTSWSA-N 0 0 171.240 1.067 10 0 ADAERN CONC[C@H](C)CC(F)F 688711176 572752722 /nfs/dbraw/zinc/75/27/22/572752722.db2.gz FNTVVJCKLBQOLV-RXMQYKEDSA-N 0 0 153.172 1.429 10 0 ADAERN O[C@@H](COCC1CCCC1)C1CC1 85489071 572752159 /nfs/dbraw/zinc/75/21/59/572752159.db2.gz URSFXKIILKJQQM-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN OCCCOCC1CCCC1 85489027 572753423 /nfs/dbraw/zinc/75/34/23/572753423.db2.gz QRGFLVVQNNGZDC-UHFFFAOYSA-N 0 0 158.241 1.576 10 0 ADAERN C[S@](=O)Cc1ccc(CCO)cc1 238505263 572752233 /nfs/dbraw/zinc/75/22/33/572752233.db2.gz BVJNQABWNCVWHQ-ZDUSSCGKSA-N 0 0 198.287 1.100 10 0 ADAERN CC[C@](C)(CO)Nc1cccnn1 70889183 572752265 /nfs/dbraw/zinc/75/22/65/572752265.db2.gz JDKPALMSEFAGEW-SECBINFHSA-N 0 0 181.239 1.050 10 0 ADAERN COC(=O)[C@@H](C)OCC1CCCC1 85486850 572752312 /nfs/dbraw/zinc/75/23/12/572752312.db2.gz FRBXYGSMWXGVMM-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN COC[C@H](O)c1cc(C)ccc1F 55203145 572752346 /nfs/dbraw/zinc/75/23/46/572752346.db2.gz GWCFESMPUDITEE-JTQLQIEISA-N 0 0 184.210 1.814 10 0 ADAERN N[C@@H](Cc1ccccc1)C(=O)OCl 117700359 572752388 /nfs/dbraw/zinc/75/23/88/572752388.db2.gz IELSASGVDBXHEV-QMMMGPOBSA-N 0 0 199.637 1.253 10 0 ADAERN O[C@H](COCC1CCCC1)C1CC1 85489075 572752423 /nfs/dbraw/zinc/75/24/23/572752423.db2.gz URSFXKIILKJQQM-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H]1CC(=O)C[C@@](C)(O)C1 196897383 572752436 /nfs/dbraw/zinc/75/24/36/572752436.db2.gz GDBNMXZMUXZSKV-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN CC/C=C(/OCC)C(=O)NCC 307909086 572752444 /nfs/dbraw/zinc/75/24/44/572752444.db2.gz CJEIICCNVWMOBP-BQYQJAHWSA-N 0 0 171.240 1.453 10 0 ADAERN CC[C@@H](O)COCC1CCCC1 85489055 572752450 /nfs/dbraw/zinc/75/24/50/572752450.db2.gz JQAVORPFICQZKN-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CN[C@H](C)C(=O)OCC1CCCC1 85488576 572752460 /nfs/dbraw/zinc/75/24/60/572752460.db2.gz ALRWTHGFYQZURO-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@H](C(=O)OC(C)(C)C)C(=O)C1CC1 85494936 572752469 /nfs/dbraw/zinc/75/24/69/572752469.db2.gz MHVUTPANPSYWDK-ZETCQYMHSA-N 0 0 198.262 1.943 10 0 ADAERN CC/C=C\c1nc(C)no1 393491542 572752473 /nfs/dbraw/zinc/75/24/73/572752473.db2.gz UWBKBEQJEJXMPN-PLNGDYQASA-N 0 0 138.170 1.801 10 0 ADAERN C[C@@H]1CCCCCN1c1nnc(N)o1 235249388 572752503 /nfs/dbraw/zinc/75/25/03/572752503.db2.gz IVUYPUOMMRRWGM-SSDOTTSWSA-N 0 0 196.254 1.421 10 0 ADAERN COC(=O)CCOCC1CCCC1 85486760 572752505 /nfs/dbraw/zinc/75/25/05/572752505.db2.gz ZUOREOWRMIBDSK-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CC[C@H](C)CNc1cc(OC)ncn1 85485079 572752529 /nfs/dbraw/zinc/75/25/29/572752529.db2.gz AXNKDCSFOFJCJV-QMMMGPOBSA-N 0 0 195.266 1.943 10 0 ADAERN C[C@@H]1CC[C@@H](C)N(c2nnc(N)o2)C1 235336728 572752531 /nfs/dbraw/zinc/75/25/31/572752531.db2.gz AOFRTRPIQPRMJY-RNFRBKRXSA-N 0 0 196.254 1.277 10 0 ADAERN CCOC(=O)CCCc1ccncc1 85491067 572752535 /nfs/dbraw/zinc/75/25/35/572752535.db2.gz FHWLAANWEZVMBC-UHFFFAOYSA-N 0 0 193.246 1.967 10 0 ADAERN Nc1cccc(NC[C@@H](O)C2CC2)c1 70882237 572752572 /nfs/dbraw/zinc/75/25/72/572752572.db2.gz RPBRLFUASYVPCU-LLVKDONJSA-N 0 0 192.262 1.452 10 0 ADAERN CC(C)OC(=S)SC[C@H](C)O 307909279 572752574 /nfs/dbraw/zinc/75/25/74/572752574.db2.gz VFXUPTWTLJDFMK-LURJTMIESA-N 0 0 194.321 1.810 10 0 ADAERN C=C/C=C\CC[C@H](NN)[C@@H](C)OC 713744753 572752647 /nfs/dbraw/zinc/75/26/47/572752647.db2.gz DHJMGZLDZDXOMW-LZCWPNQWSA-N 0 0 184.283 1.376 10 0 ADAERN C[C@H](N[C@H]1C[C@@H]1C)C(=O)OC(C)(C)C 85494401 572752676 /nfs/dbraw/zinc/75/26/76/572752676.db2.gz AKEKMTHVPJZLER-CIUDSAMLSA-N 0 0 199.294 1.715 10 0 ADAERN CCNCC(=O)OCC1CCCC1 85488224 572752688 /nfs/dbraw/zinc/75/26/88/572752688.db2.gz DMCVFROECXYYHL-UHFFFAOYSA-N 0 0 185.267 1.329 10 0 ADAERN CCOC(=O)CCc1ccncc1C 85491074 572752706 /nfs/dbraw/zinc/75/27/06/572752706.db2.gz QHAUZEXGSXSXNZ-UHFFFAOYSA-N 0 0 193.246 1.886 10 0 ADAERN Cc1ccn(-c2ncnc3nc[nH]c23)c1 238509705 572752718 /nfs/dbraw/zinc/75/27/18/572752718.db2.gz BCVQNVIMHTYJMD-UHFFFAOYSA-N 0 0 199.217 1.452 10 0 in-vitro ADAERN C[C@H]1OC2(CCCCC2)O[C@@H]1CO 196890117 572752744 /nfs/dbraw/zinc/75/27/44/572752744.db2.gz LFGIXMLXSWUOOX-RKDXNWHRSA-N 0 0 186.251 1.443 10 0 ADAERN O=C(CNC1CC1)OCC1CCCC1 85488356 572752803 /nfs/dbraw/zinc/75/28/03/572752803.db2.gz GCKVVBAVISVTFQ-UHFFFAOYSA-N 0 0 197.278 1.472 10 0 ADAERN CC(C)(C)/C=C1\C=C[C@H](O)[C@H]1O 308112318 572752850 /nfs/dbraw/zinc/75/28/50/572752850.db2.gz KSVFZVWRSCEXQL-YKAJXJTPSA-N 0 0 168.236 1.251 10 0 ADAERN C[C@@H](C(=O)OC(C)(C)C)C(=O)C1CC1 85494938 572752854 /nfs/dbraw/zinc/75/28/54/572752854.db2.gz MHVUTPANPSYWDK-SSDOTTSWSA-N 0 0 198.262 1.943 10 0 ADAERN C=C/C=C\CC[C@H](COCC)NN 713744291 572752899 /nfs/dbraw/zinc/75/28/99/572752899.db2.gz BHQPCXQJXFAWIV-WWQCOOJYSA-N 0 0 184.283 1.377 10 0 ADAERN C[C@@H](C(=O)OC(C)(C)C)n1cccn1 85493918 572752946 /nfs/dbraw/zinc/75/29/46/572752946.db2.gz XKMOKYRINKBDBE-QMMMGPOBSA-N 0 0 196.250 1.786 10 0 ADAERN C=C/C=C\CCNc1cc(=O)[nH]cn1 713488157 572752968 /nfs/dbraw/zinc/75/29/68/572752968.db2.gz SUJXXMGHGUNENC-ARJAWSKDSA-N 0 0 191.234 1.726 10 0 ADAERN CC[C@](C)(CO)Nc1ccc(N)nc1 70895567 572752974 /nfs/dbraw/zinc/75/29/74/572752974.db2.gz NTPBKFSCJKVURB-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN C[C@@H](N)C(=O)OCC1CCCC1 85488435 572752990 /nfs/dbraw/zinc/75/29/90/572752990.db2.gz GLGQFRASFDSOEB-SSDOTTSWSA-N 0 0 171.240 1.067 10 0 ADAERN C[C@@H](O)CCOCC1CCCC1 85489020 572753007 /nfs/dbraw/zinc/75/30/07/572753007.db2.gz JJOLBRSZXJCENI-SECBINFHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H](O)[C@H](C)OCC1CCCC1 85488965 572753014 /nfs/dbraw/zinc/75/30/14/572753014.db2.gz VNAFOVYTEJMEAB-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@H](N)C(=O)OCC1CCCC1 85488275 572753021 /nfs/dbraw/zinc/75/30/21/572753021.db2.gz QYBSUDJKIQHGJJ-JTQLQIEISA-N 0 0 199.294 1.847 10 0 ADAERN CC[C@H](O)[C@H](F)CC[C@H](C)O 307908919 572753064 /nfs/dbraw/zinc/75/30/64/572753064.db2.gz FPKSFBQXZRVMLQ-RNJXMRFFSA-N 0 0 164.220 1.256 10 0 ADAERN C=C/C=C/CCC(=O)Cn1cncn1 713745491 572753075 /nfs/dbraw/zinc/75/30/75/572753075.db2.gz OISKLLMQCGPELI-ONEGZZNKSA-N 0 0 191.234 1.370 10 0 ADAERN CCOC(=O)CCC(=O)CSC 85490834 572753076 /nfs/dbraw/zinc/75/30/76/572753076.db2.gz KQXRTGPNFCWFFK-UHFFFAOYSA-N 0 0 190.264 1.262 10 0 ADAERN CCOC(=O)CCC(=O)[C@H]1C[C@@H]1C 85490975 572753106 /nfs/dbraw/zinc/75/31/06/572753106.db2.gz YABWLMBLUQZOKR-YUMQZZPRSA-N 0 0 184.235 1.555 10 0 ADAERN C[C@H](OCC1CCCC1)C(N)=S 85488010 572753112 /nfs/dbraw/zinc/75/31/12/572753112.db2.gz ZULKYFCWTGSYGI-ZETCQYMHSA-N 0 0 187.308 1.868 10 0 ADAERN C[S@](=O)CCCn1ccc(C=O)c1 238504245 572753136 /nfs/dbraw/zinc/75/31/36/572753136.db2.gz SJXUYDPMQXMCHS-ZDUSSCGKSA-N 0 0 199.275 1.069 10 0 ADAERN O=C1CC[C@H]2CCC[C@H]2C(=O)C1 196899268 572753151 /nfs/dbraw/zinc/75/31/51/572753151.db2.gz ZXWMKNHOSAYZHZ-VXNVDRBHSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)OCC(C)(C)CO 238506290 572753248 /nfs/dbraw/zinc/75/32/48/572753248.db2.gz ZUFFNYLNDHFOAK-YUMQZZPRSA-N 0 0 186.251 1.204 10 0 ADAERN C[C@H](C(=O)OC(C)(C)C)n1ccnc1 85493938 572753287 /nfs/dbraw/zinc/75/32/87/572753287.db2.gz KUBIJLCEYAVVKM-MRVPVSSYSA-N 0 0 196.250 1.786 10 0 ADAERN CCc1c[nH]cc1[C@@H]([NH3+])CC(=O)[O-] 308112425 572753320 /nfs/dbraw/zinc/75/33/20/572753320.db2.gz ZRALHVRRUMTSHS-QMMMGPOBSA-N 0 0 182.223 1.052 10 0 ADAERN Cn1cc(OC2CC2)nc1OC1CC1 238507282 572753321 /nfs/dbraw/zinc/75/33/21/572753321.db2.gz OYYWNTOSHNZZEU-UHFFFAOYSA-N 0 0 194.234 1.503 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1cccc(N)n1 235336312 572753334 /nfs/dbraw/zinc/75/33/34/572753334.db2.gz CUKGAHJEAKJQTJ-RNFRBKRXSA-N 0 0 198.291 1.525 10 0 ADAERN CCOC(=O)CCc1cnn(CC)c1 85491004 572753381 /nfs/dbraw/zinc/75/33/81/572753381.db2.gz WOAUJUOPKNERSE-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN CCOC(=O)CCC(=O)[C@@H]1C[C@H]1C 85490978 572753391 /nfs/dbraw/zinc/75/33/91/572753391.db2.gz YABWLMBLUQZOKR-HTQZYQBOSA-N 0 0 184.235 1.555 10 0 ADAERN COC(=O)/C=C(\C)c1nccs1 307909221 572753479 /nfs/dbraw/zinc/75/34/79/572753479.db2.gz RBEBPVVUMKIYQL-AATRIKPKSA-N 0 0 183.232 1.719 10 0 ADAERN COc1cc(N)ccc1C[S@@](C)=O 234821916 572753480 /nfs/dbraw/zinc/75/34/80/572753480.db2.gz WMBYPSLOVRUSEJ-CYBMUJFWSA-N 0 0 199.275 1.156 10 0 ADAERN O=C1CC(=O)[C@@H]2CCC[C@H]1C2 196899618 572753488 /nfs/dbraw/zinc/75/34/88/572753488.db2.gz LYEZRBRNKZKXLM-KNVOCYPGSA-N 0 0 152.193 1.335 10 0 ADAERN Nc1cccc(NC[C@H](O)C2CC2)c1 70882231 572753505 /nfs/dbraw/zinc/75/35/05/572753505.db2.gz RPBRLFUASYVPCU-NSHDSACASA-N 0 0 192.262 1.452 10 0 ADAERN CC[C@@H](C)Cn1c(N)n[nH]c1=S 70881978 572753508 /nfs/dbraw/zinc/75/35/08/572753508.db2.gz GUFNRFZJICKMCM-RXMQYKEDSA-N 0 0 186.284 1.569 10 0 ADAERN COC[C@@H](O)c1cc(C)ccc1F 55203142 572753549 /nfs/dbraw/zinc/75/35/49/572753549.db2.gz GWCFESMPUDITEE-SNVBAGLBSA-N 0 0 184.210 1.814 10 0 ADAERN CCC[C@H](CO)Cc1cnns1 308112270 572754266 /nfs/dbraw/zinc/75/42/66/572754266.db2.gz KRLZONSJWSETEC-ZETCQYMHSA-N 0 0 186.280 1.489 10 0 ADAERN CCCO[P@@](C)(=O)CO 196899283 572753586 /nfs/dbraw/zinc/75/35/86/572753586.db2.gz GZFPXBPYTQSPCD-SECBINFHSA-N 0 0 152.130 1.271 10 0 ADAERN CC[C@@](C)(CO)Nc1ccc(N)nc1 70895566 572753589 /nfs/dbraw/zinc/75/35/89/572753589.db2.gz NTPBKFSCJKVURB-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN C=C/C=C/CC[C@@H](COCC)NN 713744284 572753643 /nfs/dbraw/zinc/75/36/43/572753643.db2.gz BHQPCXQJXFAWIV-PORFMDCZSA-N 0 0 184.283 1.377 10 0 ADAERN C[C@@H](O)C1(CC2CCOCC2)CC1 235249710 572753683 /nfs/dbraw/zinc/75/36/83/572753683.db2.gz OLQOENPSFWBUSJ-SECBINFHSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)(C)c1cnc(C=NN)s1 393490748 572753712 /nfs/dbraw/zinc/75/37/12/572753712.db2.gz VCOJOMAMCYCDOV-UHFFFAOYSA-N 0 0 183.280 1.733 10 0 ADAERN CONC[C@@H](C)CC(F)F 688711178 572753742 /nfs/dbraw/zinc/75/37/42/572753742.db2.gz FNTVVJCKLBQOLV-YFKPBYRVSA-N 0 0 153.172 1.429 10 0 ADAERN O=C1CC[C@@H]2CCC[C@@H]2C(=O)C1 196899304 572753767 /nfs/dbraw/zinc/75/37/67/572753767.db2.gz ZXWMKNHOSAYZHZ-CBAPKCEASA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@H](O)c1nc2ncccc2n1C 235249804 572753781 /nfs/dbraw/zinc/75/37/81/572753781.db2.gz MGSZSCRWQIXQCR-ZCFIWIBFSA-N 0 0 177.207 1.022 10 0 ADAERN CC[C@@](C)(CO)Nc1cccnn1 70889176 572753809 /nfs/dbraw/zinc/75/38/09/572753809.db2.gz JDKPALMSEFAGEW-VIFPVBQESA-N 0 0 181.239 1.050 10 0 ADAERN Cn1nccc1Cn1cccc1 70905984 572753864 /nfs/dbraw/zinc/75/38/64/572753864.db2.gz XCNLEBUYHIVLEB-UHFFFAOYSA-N 0 0 161.208 1.270 10 0 ADAERN C=C/C=C/CC[C@H](NN)[C@H](C)OC 713744755 572753975 /nfs/dbraw/zinc/75/39/75/572753975.db2.gz DHJMGZLDZDXOMW-QEBMPYFUSA-N 0 0 184.283 1.376 10 0 ADAERN C=C/C=C/CC[C@H](NN)[C@@H](C)OC 713744761 572754031 /nfs/dbraw/zinc/75/40/31/572754031.db2.gz DHJMGZLDZDXOMW-ROSGPLSXSA-N 0 0 184.283 1.376 10 0 ADAERN CCC[C@@H](CO)Cc1cnns1 308112268 572754053 /nfs/dbraw/zinc/75/40/53/572754053.db2.gz KRLZONSJWSETEC-SSDOTTSWSA-N 0 0 186.280 1.489 10 0 ADAERN C=C/C=C/CC[C@H](COCC)NN 713744277 572754192 /nfs/dbraw/zinc/75/41/92/572754192.db2.gz BHQPCXQJXFAWIV-BRAIEQGRSA-N 0 0 184.283 1.377 10 0 ADAERN C[C@@H](O)c1noc([C@@H]2CC2(C)C)n1 235250124 572754404 /nfs/dbraw/zinc/75/44/04/572754404.db2.gz VPYQTRSFDQFSIN-RITPCOANSA-N 0 0 182.223 1.636 10 0 ADAERN C/C=C/C(=O)NCCc1ccsc1 85500938 572754464 /nfs/dbraw/zinc/75/44/64/572754464.db2.gz SZRFFNGQKAOXMW-NSCUHMNNSA-N 0 0 195.287 1.983 10 0 ADAERN CC(=O)CCCO[C@@H]1CCCCO1 39116985 572754518 /nfs/dbraw/zinc/75/45/18/572754518.db2.gz CJOLKVLSMKEIPE-SNVBAGLBSA-N 0 0 186.251 1.899 10 0 ADAERN C=C/C=C\CC[C@@H](COCC)NN 713744281 572754532 /nfs/dbraw/zinc/75/45/32/572754532.db2.gz BHQPCXQJXFAWIV-OMMCCPJFSA-N 0 0 184.283 1.377 10 0 ADAERN CCNC(=S)NCCCCF 307910010 572754534 /nfs/dbraw/zinc/75/45/34/572754534.db2.gz VTCZQVAQOZBBJN-UHFFFAOYSA-N 0 0 178.276 1.220 10 0 ADAERN COCC(=O)c1cc(C)ccc1F 55199983 572754639 /nfs/dbraw/zinc/75/46/39/572754639.db2.gz XGIWEAKADQHDEQ-UHFFFAOYSA-N 0 0 182.194 1.963 10 0 ADAERN Cc1cccnc1CN1CCC(=O)C1 70909006 572754664 /nfs/dbraw/zinc/75/46/64/572754664.db2.gz WYLMZRQLEJEBSI-UHFFFAOYSA-N 0 0 190.246 1.165 10 0 ADAERN CCOC(=O)/C=C/[C@H]1CCCO1 307909930 572754674 /nfs/dbraw/zinc/75/46/74/572754674.db2.gz UGQWPVRTGJFOPR-HQZHTGGTSA-N 0 0 170.208 1.285 10 0 ADAERN CO[C@@H]1CCC[C@@]2(CCC(=O)NC2)C1 234821524 572754693 /nfs/dbraw/zinc/75/46/93/572754693.db2.gz KQEBZYIPJLDZFK-MWLCHTKSSA-N 0 0 197.278 1.472 10 0 ADAERN CC1C(=O)CCCCCC1=O 196887257 572754758 /nfs/dbraw/zinc/75/47/58/572754758.db2.gz MCQJBMDWCVAYJL-UHFFFAOYSA-N 0 0 154.209 1.725 10 0 ADAERN COc1ccc2c(c1)C=CS2(=O)=O 196892778 572754800 /nfs/dbraw/zinc/75/48/00/572754800.db2.gz YXWLSXSWCYHIHK-UHFFFAOYSA-N 0 0 196.227 1.453 10 0 ADAERN CC1(CCO)SCCCS1 196884156 572754818 /nfs/dbraw/zinc/75/48/18/572754818.db2.gz OOPSMDWRFZBJDS-UHFFFAOYSA-N 0 0 178.322 1.955 10 0 ADAERN C/C=C\[C@@H](C)[C@@H](O)C[C@H](C)O 307909558 572754921 /nfs/dbraw/zinc/75/49/21/572754921.db2.gz FWCAHLUSEJOCLA-GGWJHDSWSA-N 0 0 158.241 1.330 10 0 ADAERN C[C@@H](Nn1cccc1)c1ccnn1C 235250304 572754940 /nfs/dbraw/zinc/75/49/40/572754940.db2.gz DPTHIJANQPZZAW-SECBINFHSA-N 0 0 190.250 1.526 10 0 ADAERN CCOC(=O)[C@@H]1[C@H](C)[C@H]1C(C)=O 307909495 572754954 /nfs/dbraw/zinc/75/49/54/572754954.db2.gz XCNQVEKFJRXTMJ-MHSYXAOVSA-N 0 0 170.208 1.021 10 0 ADAERN Cc1cnnc(N[C@@H](C)C[C@@H](C)O)c1 235250445 572755051 /nfs/dbraw/zinc/75/50/51/572755051.db2.gz KGWBIOFOEPXCHF-DTWKUNHWSA-N 0 0 195.266 1.356 10 0 ADAERN CCC(C)(CC)[NH2+]C/C=C\C(=O)[O-] 308115275 572755063 /nfs/dbraw/zinc/75/50/63/572755063.db2.gz WRDLOXUIFDTXHC-SREVYHEPSA-N 0 0 185.267 1.796 10 0 ADAERN Cc1nc(=O)c2cscc2[nH]1 196880995 572755075 /nfs/dbraw/zinc/75/50/75/572755075.db2.gz RTWIEPZDJOOOMH-UHFFFAOYSA-N 0 0 166.205 1.293 10 0 ADAERN CCOC(=O)[C@@H]1[C@@H](C)[C@H]1C(C)=O 307909494 572755111 /nfs/dbraw/zinc/75/51/11/572755111.db2.gz XCNQVEKFJRXTMJ-APQOSEDMSA-N 0 0 170.208 1.021 10 0 ADAERN C=CS(=O)(=O)N(CC)[C@@H](C)CC 308114819 572755119 /nfs/dbraw/zinc/75/51/19/572755119.db2.gz LYVQMSUQLHJHLS-QMMMGPOBSA-N 0 0 191.296 1.580 10 0 ADAERN CCCC[C@@H](C)N(C)C(N)=S 307910003 572755124 /nfs/dbraw/zinc/75/51/24/572755124.db2.gz VSGZYIUHSQVJIE-SSDOTTSWSA-N 0 0 174.313 1.741 10 0 ADAERN C/C=C\COc1cc(F)ncn1 307909834 572755198 /nfs/dbraw/zinc/75/51/98/572755198.db2.gz SANXYFROVIYCOZ-IHWYPQMZSA-N 0 0 168.171 1.571 10 0 ADAERN CO[C@H]1CCCC[C@@]12CC(=O)CCO2 234825089 572755202 /nfs/dbraw/zinc/75/52/02/572755202.db2.gz NRTJARSGLRMOML-WDEREUQCSA-N 0 0 198.262 1.694 10 0 ADAERN O[C@@]1(CCC(F)(F)F)CCCOC1 70917466 572755243 /nfs/dbraw/zinc/75/52/43/572755243.db2.gz CBWVDWREFUJNME-SSDOTTSWSA-N 0 0 198.184 1.870 10 0 ADAERN COC(=N)Cc1nc(C)cs1 55269571 572755255 /nfs/dbraw/zinc/75/52/55/572755255.db2.gz PBWMFURLZYWRAM-UHFFFAOYSA-N 0 0 170.237 1.618 10 0 ADAERN COC(=O)c1ccc(C2(O)CCC2)o1 234560863 572755261 /nfs/dbraw/zinc/75/52/61/572755261.db2.gz LGYZQICEKDGLLQ-UHFFFAOYSA-N 0 0 196.202 1.438 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+][C@@H](C)C(C)C 308114083 572755723 /nfs/dbraw/zinc/75/57/23/572755723.db2.gz NTXDIZSJRNFRHK-RDOCRHDPSA-N 0 0 185.267 1.651 10 0 ADAERN CC(C)=CCNCc1nnco1 308113189 572755296 /nfs/dbraw/zinc/75/52/96/572755296.db2.gz LDIAXGXQSOCIPO-UHFFFAOYSA-N 0 0 167.212 1.125 10 0 ADAERN CC[C@@H](O)Cc1nc(C)cs1 55267178 572755374 /nfs/dbraw/zinc/75/53/74/572755374.db2.gz JKWMULUHGFDNHP-SSDOTTSWSA-N 0 0 171.265 1.765 10 0 ADAERN COC[C@H](O)CCC(F)(F)F 70915657 572755574 /nfs/dbraw/zinc/75/55/74/572755574.db2.gz HWRYITHMGMLVFH-RXMQYKEDSA-N 0 0 172.146 1.336 10 0 ADAERN CCC[C@H](C)[NH2+]C/C(C)=C\C(=O)[O-] 308114123 572755504 /nfs/dbraw/zinc/75/55/04/572755504.db2.gz NXUAQJYVRRMKIR-XZLDQRQTSA-N 0 0 185.267 1.796 10 0 ADAERN CCn1nc(C)cc1CN(C)C 307638606 572755587 /nfs/dbraw/zinc/75/55/87/572755587.db2.gz YJBDSXSCUWHZCS-UHFFFAOYSA-N 0 0 167.256 1.273 10 0 ADAERN CC[C@H](/C=C\[C@@H](C)O)C(=O)OC 308112908 572755685 /nfs/dbraw/zinc/75/56/85/572755685.db2.gz LATCJOGBONLIPP-MFOJLJMTSA-N 0 0 172.224 1.123 10 0 ADAERN C/C=C\[C@@H]1NC(C)(C)S[C@H]1OC 307911441 572755689 /nfs/dbraw/zinc/75/56/89/572755689.db2.gz IHYYVXVBBPCXHC-HFFNOEQQSA-N 0 0 187.308 1.976 10 0 ADAERN Cc1cccc(CC(=O)[C@@H](C)O)c1 235256718 572755721 /nfs/dbraw/zinc/75/57/21/572755721.db2.gz BGPNOVCFRVXFTG-SECBINFHSA-N 0 0 178.231 1.487 10 0 ADAERN COC(=O)[C@@]1(C)CCC/C1=C/CO 308116592 572755803 /nfs/dbraw/zinc/75/58/03/572755803.db2.gz ACDDRIVFOOCRJX-NVDWLVSRSA-N 0 0 184.235 1.268 10 0 ADAERN CO[C@H]1CCCC[C@@]12CCC(=O)NC2 234825741 572755807 /nfs/dbraw/zinc/75/58/07/572755807.db2.gz WDAWBESIAPORCI-ONGXEEELSA-N 0 0 197.278 1.472 10 0 ADAERN COC[C@@H](O)c1ccc(F)c(F)c1 55237241 572755919 /nfs/dbraw/zinc/75/59/19/572755919.db2.gz OPXHVBSTKHJKLP-SECBINFHSA-N 0 0 188.173 1.645 10 0 ADAERN O[C@]1(CCC(F)(F)F)CCCOC1 70917464 572755926 /nfs/dbraw/zinc/75/59/26/572755926.db2.gz CBWVDWREFUJNME-ZETCQYMHSA-N 0 0 198.184 1.870 10 0 ADAERN Cc1cc(=O)[nH]c2ccc3c[nH]nc3c12 238521626 572756043 /nfs/dbraw/zinc/75/60/43/572756043.db2.gz ILPIPUKZMFHGBX-UHFFFAOYSA-N 0 0 199.213 1.713 10 0 ADAERN C[Si](C)(C)CCC[C@@H]([NH3+])C(=O)[O-] 238523715 572756000 /nfs/dbraw/zinc/75/60/00/572756000.db2.gz WCWDUZPZVYRYBJ-SSDOTTSWSA-N 0 0 189.331 1.517 10 0 ADAERN CC[C@H](/C=C/[C@H](C)O)C(=O)OC 308112906 572756009 /nfs/dbraw/zinc/75/60/09/572756009.db2.gz LATCJOGBONLIPP-LXBADBFVSA-N 0 0 172.224 1.123 10 0 ADAERN Cc1ncc2[nH]c(=O)c3ccccc3n12 238522683 572756023 /nfs/dbraw/zinc/75/60/23/572756023.db2.gz BGZWECHXRXPEKL-UHFFFAOYSA-N 0 0 199.213 1.484 10 0 ADAERN CCC[C@H](O)c1csc(OC)n1 308113459 572756053 /nfs/dbraw/zinc/75/60/53/572756053.db2.gz LHMZJYWDVRQAQB-ZETCQYMHSA-N 0 0 187.264 1.985 10 0 ADAERN C[C@@H](O)C1(Cc2ncccn2)CC1 235256320 572756124 /nfs/dbraw/zinc/75/61/24/572756124.db2.gz YIDQIAZWHHAFKR-MRVPVSSYSA-N 0 0 178.235 1.180 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@]1(C[NH3+])CC(=O)[O-] 235255969 572756156 /nfs/dbraw/zinc/75/61/56/572756156.db2.gz NRINYMPKZVIZTI-LDYMZIIASA-N 0 0 199.294 1.862 10 0 ADAERN CCCCSCCC[C@@H](O)CO 308115256 572756162 /nfs/dbraw/zinc/75/61/62/572756162.db2.gz MDMPAGISDHPUQD-SECBINFHSA-N 0 0 192.324 1.653 10 0 ADAERN C/C=C\COc1cc(C)c(N)cn1 308113746 572756165 /nfs/dbraw/zinc/75/61/65/572756165.db2.gz SICIGZVEASLJAM-ARJAWSKDSA-N 0 0 178.235 1.927 10 0 ADAERN C[C@@H](O)C1(Cc2ccn(C)n2)CC1 235255411 572756176 /nfs/dbraw/zinc/75/61/76/572756176.db2.gz MDBLIMCZNJVMPR-MRVPVSSYSA-N 0 0 180.251 1.124 10 0 ADAERN COC(=O)[C@]1(C)CCC/C1=C/CO 308116587 572756193 /nfs/dbraw/zinc/75/61/93/572756193.db2.gz ACDDRIVFOOCRJX-DAGBOUIGSA-N 0 0 184.235 1.268 10 0 ADAERN C/C=C\C(=O)NC(C)(C)C(C)(C)O 308113830 572756215 /nfs/dbraw/zinc/75/62/15/572756215.db2.gz TURNTIJUDNDDMQ-SREVYHEPSA-N 0 0 185.267 1.228 10 0 ADAERN Cn1ccnc1-c1[nH]nc2ncccc12 238523744 572756223 /nfs/dbraw/zinc/75/62/23/572756223.db2.gz WBNFIMOPAPERCO-UHFFFAOYSA-N 0 0 199.217 1.358 10 0 ADAERN C=CS(=O)(=O)N(CC)[C@H](C)CC 308114817 572756281 /nfs/dbraw/zinc/75/62/81/572756281.db2.gz LYVQMSUQLHJHLS-MRVPVSSYSA-N 0 0 191.296 1.580 10 0 ADAERN Cc1ccc(CC(=O)[C@@H](C)O)cc1C 235255785 572756292 /nfs/dbraw/zinc/75/62/92/572756292.db2.gz DPXLRBKPMVTSEF-SNVBAGLBSA-N 0 0 192.258 1.796 10 0 ADAERN Cn1cnc(OC2CC2)c1OC1CC1 238520101 572756346 /nfs/dbraw/zinc/75/63/46/572756346.db2.gz PRQZUBWJEUPFHR-UHFFFAOYSA-N 0 0 194.234 1.503 10 0 ADAERN COCCO[C@@H]1CCCCOC1 308113865 572756356 /nfs/dbraw/zinc/75/63/56/572756356.db2.gz LLCPLZMKRJDEDM-SECBINFHSA-N 0 0 174.240 1.219 10 0 ADAERN CCCCCOC1CC(=O)C1 85505857 572757127 /nfs/dbraw/zinc/75/71/27/572757127.db2.gz YIPULYVIOPNUFG-UHFFFAOYSA-N 0 0 156.225 1.925 10 0 ADAERN C[C@@H](O)C1(Cc2ccccn2)CC1 235255216 572756385 /nfs/dbraw/zinc/75/63/85/572756385.db2.gz ODCSIZREIYJFGW-SECBINFHSA-N 0 0 177.247 1.785 10 0 ADAERN Cc1ccc(N)cc1CSCCO 238511749 572756390 /nfs/dbraw/zinc/75/63/90/572756390.db2.gz RXNXLLODIPNDBR-UHFFFAOYSA-N 0 0 197.303 1.803 10 0 ADAERN [NH3+]/C(=C\c1ccc(Cl)cc1)C(=O)[O-] 308113192 572756445 /nfs/dbraw/zinc/75/64/45/572756445.db2.gz MKPHMLBRNOXGQJ-YVMONPNESA-N 0 0 197.621 1.724 10 0 ADAERN C[C@@H](O)C(=O)Cc1cccc(F)c1 235256854 572756479 /nfs/dbraw/zinc/75/64/79/572756479.db2.gz LIUGVXSTQGZFGK-SSDOTTSWSA-N 0 0 182.194 1.318 10 0 ADAERN CCn1nccc1/C=C(\C)[C@@H](C)O 308113129 572756497 /nfs/dbraw/zinc/75/64/97/572756497.db2.gz LWCBODTZEXNATQ-FCZSHJHJSA-N 0 0 180.251 1.687 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1nnc(CN)o1 235251932 572756520 /nfs/dbraw/zinc/75/65/20/572756520.db2.gz XULXDCGQJCBHEU-RQJHMYQMSA-N 0 0 196.254 1.129 10 0 ADAERN C/C(=C\Cl)CNCc1ccncn1 308112782 572756530 /nfs/dbraw/zinc/75/65/30/572756530.db2.gz QDXLBDHRTALTAV-XBXARRHUSA-N 0 0 197.669 1.709 10 0 ADAERN O=C([O-])c1ccoc1C[NH2+]C1CCC1 236466078 572756603 /nfs/dbraw/zinc/75/66/03/572756603.db2.gz XWESFVJBGHRTBU-UHFFFAOYSA-N 0 0 195.218 1.620 10 0 ADAERN C[C@@H](c1ccccc1)c1n[nH]c(=O)o1 235252808 572756697 /nfs/dbraw/zinc/75/66/97/572756697.db2.gz XBTDVRKLTSZQCE-ZETCQYMHSA-N 0 0 190.202 1.515 10 0 ADAERN COC[C@H](O)c1ccc(F)c(F)c1 55237239 572756710 /nfs/dbraw/zinc/75/67/10/572756710.db2.gz OPXHVBSTKHJKLP-VIFPVBQESA-N 0 0 188.173 1.645 10 0 ADAERN C[C@@H](O)c1noc(-c2cncs2)n1 235252325 572756713 /nfs/dbraw/zinc/75/67/13/572756713.db2.gz SPELNILLWFMGNB-SCSAIBSYSA-N 0 0 197.219 1.246 10 0 ADAERN CCC[C@@H](C)[NH2+]C/C(C)=C\C(=O)[O-] 308114122 572756778 /nfs/dbraw/zinc/75/67/78/572756778.db2.gz NXUAQJYVRRMKIR-JGAIRUGNSA-N 0 0 185.267 1.796 10 0 ADAERN CC[C@@H](CC(C)C)C(=O)NCC(C)=O 308113989 572756851 /nfs/dbraw/zinc/75/68/51/572756851.db2.gz RRAODTXUWYDNBS-JTQLQIEISA-N 0 0 199.294 1.764 10 0 ADAERN CCCCn1nncc1C(C)=O 308115346 572756871 /nfs/dbraw/zinc/75/68/71/572756871.db2.gz MEMHIOCRCKETOW-UHFFFAOYSA-N 0 0 167.212 1.281 10 0 ADAERN CC[C@H](CC(C)C)C(=O)NCC(C)=O 308113990 572756875 /nfs/dbraw/zinc/75/68/75/572756875.db2.gz RRAODTXUWYDNBS-SNVBAGLBSA-N 0 0 199.294 1.764 10 0 ADAERN C[C@@H](O)C(=O)Cc1ccc(Cl)cc1 235256012 572756941 /nfs/dbraw/zinc/75/69/41/572756941.db2.gz HMVNWBBSABBSHL-SSDOTTSWSA-N 0 0 198.649 1.832 10 0 ADAERN OCc1cnn(CCC(F)(F)F)c1 70916363 572756958 /nfs/dbraw/zinc/75/69/58/572756958.db2.gz HRJYLIFLSUEMHN-UHFFFAOYSA-N 0 0 194.156 1.328 10 0 ADAERN Cc1nc(OC2CC2)c(OC2CC2)[nH]1 238521119 572756959 /nfs/dbraw/zinc/75/69/59/572756959.db2.gz GGNUUCLVORYKEN-UHFFFAOYSA-N 0 0 194.234 1.801 10 0 ADAERN COC(=O)/C=C/C[C@H](O)c1ccco1 222928958 572757860 /nfs/dbraw/zinc/75/78/60/572757860.db2.gz RGRFELRVZQNHSN-HYTREOMXSA-N 0 0 196.202 1.432 10 0 ADAERN C[C@@H](O)C(=O)C[C@@H]1Cc2ccccc21 235253782 572756968 /nfs/dbraw/zinc/75/69/68/572756968.db2.gz YRCFTIJPTKTOHB-SCZZXKLOSA-N 0 0 190.242 1.666 10 0 ADAERN CCC(CC)[NH2+]C/C=C(\C)C(=O)[O-] 308114550 572756979 /nfs/dbraw/zinc/75/69/79/572756979.db2.gz OYPZBYDDHWRTGG-SOFGYWHQSA-N 0 0 185.267 1.796 10 0 ADAERN COC(=O)C=CNC[C@@H](C)C(C)C 308115089 572756983 /nfs/dbraw/zinc/75/69/83/572756983.db2.gz PRAYTDLZXFMCES-SSJHQANKSA-N 0 0 185.267 1.555 10 0 ADAERN CC/C(=C\C[NH2+][C@@H]1C[C@@H]1C)C(=O)[O-] 308113179 572757044 /nfs/dbraw/zinc/75/70/44/572757044.db2.gz MHTPWYKEGNNIJR-VPTUDDBQSA-N 0 0 183.251 1.405 10 0 ADAERN C[C@@H](O)C1(Cc2cncc(F)c2)CC1 235255857 572757053 /nfs/dbraw/zinc/75/70/53/572757053.db2.gz CMWSYKWNGMHREW-MRVPVSSYSA-N 0 0 195.237 1.924 10 0 ADAERN Cc1cc(C)cc(CC(=O)[C@@H](C)O)c1 235254495 572757070 /nfs/dbraw/zinc/75/70/70/572757070.db2.gz ZHZOVCSTLSBNIS-SNVBAGLBSA-N 0 0 192.258 1.796 10 0 ADAERN C[C@@H](O)C1(Cc2cscn2)CC1 235256038 572757079 /nfs/dbraw/zinc/75/70/79/572757079.db2.gz BVIAZSQVPXCJSW-SSDOTTSWSA-N 0 0 183.276 1.847 10 0 ADAERN C/C=C\[C@@H]1NC(C)(C)S[C@@H]1OC 307911442 572757104 /nfs/dbraw/zinc/75/71/04/572757104.db2.gz IHYYVXVBBPCXHC-WXSHZEGDSA-N 0 0 187.308 1.976 10 0 ADAERN CC[C@@]1(C)C(=O)C[C@@H]1OCCOC 85504752 572757111 /nfs/dbraw/zinc/75/71/11/572757111.db2.gz WJOHGHYXAATBKL-UWVGGRQHSA-N 0 0 186.251 1.407 10 0 ADAERN CNc1cncc(NCC2(C)CC2)n1 234563336 572757134 /nfs/dbraw/zinc/75/71/34/572757134.db2.gz RUKINOPBXIVDHM-UHFFFAOYSA-N 0 0 192.266 1.730 10 0 ADAERN C[C@@H](O)C(=O)CCC(F)(F)F 235252769 572757145 /nfs/dbraw/zinc/75/71/45/572757145.db2.gz WBWKROYEWNHLJJ-SCSAIBSYSA-N 0 0 170.130 1.279 10 0 ADAERN CCCCCC[NH2+]C/C=C\C(=O)[O-] 308113765 572757148 /nfs/dbraw/zinc/75/71/48/572757148.db2.gz NSWFKICGGPBAMZ-SREVYHEPSA-N 0 0 185.267 1.797 10 0 ADAERN C[C@@H](O)C1(Cc2ccoc2)CC1 235255562 572757149 /nfs/dbraw/zinc/75/71/49/572757149.db2.gz XPMJODKOOOWHNE-MRVPVSSYSA-N 0 0 166.220 1.983 10 0 ADAERN COCCO[C@H]1CCCCOC1 308113866 572757151 /nfs/dbraw/zinc/75/71/51/572757151.db2.gz LLCPLZMKRJDEDM-VIFPVBQESA-N 0 0 174.240 1.219 10 0 ADAERN CC(C)C[C@@H](C)OC1CC(O)C1 85509273 572757185 /nfs/dbraw/zinc/75/71/85/572757185.db2.gz JOBABNLXTBRPDM-XNWIYYODSA-N 0 0 172.268 1.961 10 0 ADAERN Cc1ccc(CC(=O)[C@@H](C)O)cc1 235255830 572757234 /nfs/dbraw/zinc/75/72/34/572757234.db2.gz JXAXWMDPOSZSCL-SECBINFHSA-N 0 0 178.231 1.487 10 0 ADAERN CC/C(=C\C[NH2+][C@@H]1C[C@H]1C)C(=O)[O-] 308113180 572757277 /nfs/dbraw/zinc/75/72/77/572757277.db2.gz MHTPWYKEGNNIJR-YEPVEMNMSA-N 0 0 183.251 1.405 10 0 ADAERN Cc1ccc(F)cc1CC(=O)[C@@H](C)O 235255263 572757278 /nfs/dbraw/zinc/75/72/78/572757278.db2.gz ACXASAGYPDJQML-MRVPVSSYSA-N 0 0 196.221 1.627 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+][C@H](C)C(C)C 308114081 572757288 /nfs/dbraw/zinc/75/72/88/572757288.db2.gz NTXDIZSJRNFRHK-BZJXQOFCSA-N 0 0 185.267 1.651 10 0 ADAERN C[C@@H](O)C(=O)CCC1CC1 235252812 572757295 /nfs/dbraw/zinc/75/72/95/572757295.db2.gz HOZWTQZSPAHMMF-ZCFIWIBFSA-N 0 0 142.198 1.127 10 0 ADAERN CCCCSCCC[C@H](O)CO 308115262 572757310 /nfs/dbraw/zinc/75/73/10/572757310.db2.gz MDMPAGISDHPUQD-VIFPVBQESA-N 0 0 192.324 1.653 10 0 ADAERN C[C@@H](O)C(=O)Cc1cccc(Cl)c1 235256761 572757313 /nfs/dbraw/zinc/75/73/13/572757313.db2.gz WAIQJSRUODFBNC-SSDOTTSWSA-N 0 0 198.649 1.832 10 0 ADAERN C[C@@H](O)C(=O)CCC(C)(C)C 235252678 572757443 /nfs/dbraw/zinc/75/74/43/572757443.db2.gz ZHTDCZMPRPJMIT-SSDOTTSWSA-N 0 0 158.241 1.763 10 0 ADAERN C[C@@H](O)C(=O)C[C@H]1Cc2ccccc21 235253964 572757487 /nfs/dbraw/zinc/75/74/87/572757487.db2.gz YRCFTIJPTKTOHB-PSASIEDQSA-N 0 0 190.242 1.666 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1ccnc(N)c1 235338125 572757508 /nfs/dbraw/zinc/75/75/08/572757508.db2.gz YDTCKNDYPNRJIE-RNFRBKRXSA-N 0 0 198.291 1.525 10 0 ADAERN Cc1cc(F)ccc1CC(=O)[C@@H](C)O 235256390 572757882 /nfs/dbraw/zinc/75/78/82/572757882.db2.gz DTPNCRKUAVFGHN-MRVPVSSYSA-N 0 0 196.221 1.627 10 0 ADAERN COCO[C@@H](C)[C@@H](C)CCO 307911451 572757845 /nfs/dbraw/zinc/75/78/45/572757845.db2.gz IPHBVMNHGZZQLG-YUMQZZPRSA-N 0 0 162.229 1.014 10 0 ADAERN CC[C@H](C)[C@@H](C)NC=CC(=O)OC 308114503 572757698 /nfs/dbraw/zinc/75/76/98/572757698.db2.gz OOPISZIVPNGLJO-XFPDIIEBSA-N 0 0 185.267 1.697 10 0 ADAERN CCCCOCCOC1CC(=O)C1 85505328 572757718 /nfs/dbraw/zinc/75/77/18/572757718.db2.gz HTPHEIPHWJWTSJ-UHFFFAOYSA-N 0 0 186.251 1.551 10 0 ADAERN Cn1c(=S)[nH]cc(C(C)(C)C)c1=O 238523422 572757737 /nfs/dbraw/zinc/75/77/37/572757737.db2.gz FBISLAWMYDGIMU-UHFFFAOYSA-N 0 0 198.291 1.740 10 0 ADAERN Cc1cccc(COCCCO)c1 238521436 572757754 /nfs/dbraw/zinc/75/77/54/572757754.db2.gz YDSSGTDEBCEJGX-UHFFFAOYSA-N 0 0 180.247 1.894 10 0 ADAERN CC1=CC2=NCc3ccccc3N2C1=O 238520856 572757853 /nfs/dbraw/zinc/75/78/53/572757853.db2.gz KPYLBYARUYWCPV-UHFFFAOYSA-N 0 0 198.225 1.892 10 0 ADAERN COc1cc(N)ccc1C[S@](C)=O 234823997 572757810 /nfs/dbraw/zinc/75/78/10/572757810.db2.gz WMBYPSLOVRUSEJ-ZDUSSCGKSA-N 0 0 199.275 1.156 10 0 ADAERN CC[C@H](O)Cc1nc(C)cs1 55267176 572757830 /nfs/dbraw/zinc/75/78/30/572757830.db2.gz JKWMULUHGFDNHP-ZETCQYMHSA-N 0 0 171.265 1.765 10 0 ADAERN COCCCO[C@@H]1CC(=O)C1(C)C 85506129 572759429 /nfs/dbraw/zinc/75/94/29/572759429.db2.gz NZXFHZLVYLMQNQ-SECBINFHSA-N 0 0 186.251 1.407 10 0 ADAERN COC[C@H](C)O[C@@H]1CC(=O)C1(C)C 85506836 572757975 /nfs/dbraw/zinc/75/79/75/572757975.db2.gz DDBUMOLEJCLYQC-IONNQARKSA-N 0 0 186.251 1.406 10 0 ADAERN COCCCO[C@H]1C[C@@H](O)C1(C)C 85510703 572757980 /nfs/dbraw/zinc/75/79/80/572757980.db2.gz IRGBUPGMKUOVDB-BDAKNGLRSA-N 0 0 188.267 1.199 10 0 ADAERN Cc1ccc(OCCF)c(C=O)n1 85502287 572757990 /nfs/dbraw/zinc/75/79/90/572757990.db2.gz AFSDWRNTIAVBNW-UHFFFAOYSA-N 0 0 183.182 1.551 10 0 ADAERN C[C@@H](O)C1(Cc2cccnc2)CC1 235255264 572757992 /nfs/dbraw/zinc/75/79/92/572757992.db2.gz YWLFUYRNKKEEGH-SECBINFHSA-N 0 0 177.247 1.785 10 0 ADAERN CO[C@@H]1CCCC[C@]12CC(=O)CCO2 234827081 572757997 /nfs/dbraw/zinc/75/79/97/572757997.db2.gz NRTJARSGLRMOML-MNOVXSKESA-N 0 0 198.262 1.694 10 0 ADAERN CN(C)C(=O)CCNc1ccsc1 85534727 572757999 /nfs/dbraw/zinc/75/79/99/572757999.db2.gz WLPMJAIGJXNPQJ-UHFFFAOYSA-N 0 0 198.291 1.638 10 0 ADAERN CC(C)C[C@H](C)OC1CC(O)C1 85509277 572758100 /nfs/dbraw/zinc/75/81/00/572758100.db2.gz JOBABNLXTBRPDM-IDKOKCKLSA-N 0 0 172.268 1.961 10 0 ADAERN Cc1ccncc1NC[C@H]1CCOC1 70958133 572758105 /nfs/dbraw/zinc/75/81/05/572758105.db2.gz RRJFLVMFUCSVSR-SNVBAGLBSA-N 0 0 192.262 1.838 10 0 ADAERN COC[C@@H](C)O[C@@H]1CC(=O)C1(C)C 85506840 572758114 /nfs/dbraw/zinc/75/81/14/572758114.db2.gz DDBUMOLEJCLYQC-VXNVDRBHSA-N 0 0 186.251 1.406 10 0 ADAERN CCn1nccc1/C=C\C(=O)OC 308115822 572758139 /nfs/dbraw/zinc/75/81/39/572758139.db2.gz YDNHJVZUXMGPLD-PLNGDYQASA-N 0 0 180.207 1.089 10 0 ADAERN CCCn1cc(CC(=O)OC)cn1 308116390 572758149 /nfs/dbraw/zinc/75/81/49/572758149.db2.gz ZJTFYRZDEJWZAF-UHFFFAOYSA-N 0 0 182.223 1.009 10 0 ADAERN CC(C)C[C@@H](NN)C1=COCC1 308115700 572758157 /nfs/dbraw/zinc/75/81/57/572758157.db2.gz MLGVTCWPUWXWQE-SECBINFHSA-N 0 0 170.256 1.169 10 0 ADAERN CCC(CO)(CO)COCC(C)C 714546724 572758168 /nfs/dbraw/zinc/75/81/68/572758168.db2.gz JBOZELOBJABOQM-UHFFFAOYSA-N 0 0 190.283 1.040 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[N@H+](C)[C@H](C)C1CC1 257359542 572758172 /nfs/dbraw/zinc/75/81/72/572758172.db2.gz SYKMKFWKXHPDIE-KCJUWKMLSA-N 0 0 199.294 1.970 10 0 ADAERN CCOCCO[C@@H]1C[C@@H](O)C1(C)C 85508595 572758181 /nfs/dbraw/zinc/75/81/81/572758181.db2.gz WKKDIQUAOYQDRA-RKDXNWHRSA-N 0 0 188.267 1.199 10 0 ADAERN CC(C)C(=O)OCc1ccoc1 308116417 572758192 /nfs/dbraw/zinc/75/81/92/572758192.db2.gz MTCDECMOAFMAOC-UHFFFAOYSA-N 0 0 168.192 1.979 10 0 ADAERN O=C([O-])/C=C\C[NH2+]CCCC1CC1 308116539 572758218 /nfs/dbraw/zinc/75/82/18/572758218.db2.gz SXOVHXCDCOODKK-RQOWECAXSA-N 0 0 183.251 1.407 10 0 ADAERN CC[C@]1(C)C(=O)C[C@@H]1OCCOC 85504755 572758262 /nfs/dbraw/zinc/75/82/62/572758262.db2.gz WJOHGHYXAATBKL-VHSXEESVSA-N 0 0 186.251 1.407 10 0 ADAERN C[C@@H](O)/C=C\CCCN(C)O 307921709 572758342 /nfs/dbraw/zinc/75/83/42/572758342.db2.gz LUYLREBXGZVFFW-RZAAKKIOSA-N 0 0 159.229 1.025 10 0 ADAERN COC(=O)C=CNOC1CCCC1 308116573 572758349 /nfs/dbraw/zinc/75/83/49/572758349.db2.gz SZMMVWVRBYLHIP-SREVYHEPSA-N 0 0 185.223 1.137 10 0 ADAERN COc1ccc(/C=C\[C@@H](C)O)cn1 308111306 572758366 /nfs/dbraw/zinc/75/83/66/572758366.db2.gz XQXBBDIKBUSWMI-TUUFMJSCSA-N 0 0 179.219 1.484 10 0 ADAERN COC(=O)C=CN[C@H](C)C(C)(C)C 308115597 572758371 /nfs/dbraw/zinc/75/83/71/572758371.db2.gz RARAWKSGORSPBU-NFXKFNAJSA-N 0 0 185.267 1.697 10 0 ADAERN CSCCCCC(=O)N1CC1 307922735 572758381 /nfs/dbraw/zinc/75/83/81/572758381.db2.gz MWDPFQFNBOSLMB-UHFFFAOYSA-N 0 0 173.281 1.362 10 0 ADAERN COCCO[C@H]1CC(=O)C1(C)C 85504779 572758388 /nfs/dbraw/zinc/75/83/88/572758388.db2.gz MIXONEXXURSZGE-QMMMGPOBSA-N 0 0 172.224 1.017 10 0 ADAERN CC[C@@](C)(O)C[NH2+][C@@H](C)CF 307922349 572758391 /nfs/dbraw/zinc/75/83/91/572758391.db2.gz MSRKCYPTQRATKB-JGVFFNPUSA-N 0 0 163.236 1.095 10 0 ADAERN CC[C@](C)([NH2+][C@H]1C[C@H]1C)C(=O)[O-] 257362854 572758398 /nfs/dbraw/zinc/75/83/98/572758398.db2.gz LFVQMPZNSMGCRQ-FJXKBIBVSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@](C)(C(=O)[O-])[N@H+](C)[C@H](C)C1CC1 257359543 572758419 /nfs/dbraw/zinc/75/84/19/572758419.db2.gz SYKMKFWKXHPDIE-LDYMZIIASA-N 0 0 199.294 1.970 10 0 ADAERN COCCO[C@@H]1CC(=O)C1(C)C 85504774 572758435 /nfs/dbraw/zinc/75/84/35/572758435.db2.gz MIXONEXXURSZGE-MRVPVSSYSA-N 0 0 172.224 1.017 10 0 ADAERN CSC[C@H](C)OC(=O)C1CC1 307911953 572758443 /nfs/dbraw/zinc/75/84/43/572758443.db2.gz XEBDXEDZQVZTBP-LURJTMIESA-N 0 0 174.265 1.691 10 0 ADAERN O=C([O-])c1ccc(C[NH2+]C2CCC2)o1 70946750 572758444 /nfs/dbraw/zinc/75/84/44/572758444.db2.gz JQMXJIWDIQWJQV-UHFFFAOYSA-N 0 0 195.218 1.620 10 0 ADAERN CC[C@@H](C)[N@H+](C)[C@@](C)(C(=O)[O-])C1CC1 257359510 572758455 /nfs/dbraw/zinc/75/84/55/572758455.db2.gz ATEJEZYRJXJJLD-LDYMZIIASA-N 0 0 199.294 1.970 10 0 ADAERN COc1ccc(OCCF)c(C=O)c1 85502266 572758463 /nfs/dbraw/zinc/75/84/63/572758463.db2.gz GRJAUIWMVFPMIJ-UHFFFAOYSA-N 0 0 198.193 1.856 10 0 ADAERN CCCOCCCn1ccc(N)n1 70944037 572758475 /nfs/dbraw/zinc/75/84/75/572758475.db2.gz XFPDCNPVUWYYMZ-UHFFFAOYSA-N 0 0 183.255 1.282 10 0 ADAERN C[C@H]1C[C@H](C)CCN1C(=O)C(C)(C)O 235260216 572758501 /nfs/dbraw/zinc/75/85/01/572758501.db2.gz NNPZTBNBFYRWOC-BDAKNGLRSA-N 0 0 199.294 1.404 10 0 ADAERN CCCOCCOC1CC(=O)C1 85506649 572758510 /nfs/dbraw/zinc/75/85/10/572758510.db2.gz ORILTVJZKYGLGW-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN COC(=O)[C@H](C)CNc1ccsc1 85534704 572758543 /nfs/dbraw/zinc/75/85/43/572758543.db2.gz OMFQZPDYLJTRRV-SSDOTTSWSA-N 0 0 199.275 1.969 10 0 ADAERN COC(CNc1ccsc1)OC 85527848 572758602 /nfs/dbraw/zinc/75/86/02/572758602.db2.gz HECGGXJCSWEOMS-UHFFFAOYSA-N 0 0 187.264 1.779 10 0 ADAERN CC[C@@]1(C)C(=O)C[C@H]1OCCOC 85504745 572758611 /nfs/dbraw/zinc/75/86/11/572758611.db2.gz WJOHGHYXAATBKL-ZJUUUORDSA-N 0 0 186.251 1.407 10 0 ADAERN COCCO[C@@H]1CC(=O)C12CCCC2 85504729 572758623 /nfs/dbraw/zinc/75/86/23/572758623.db2.gz YECXXULGGTYYGM-SNVBAGLBSA-N 0 0 198.262 1.551 10 0 ADAERN CCNC(=O)CCNc1ccsc1 85534659 572758641 /nfs/dbraw/zinc/75/86/41/572758641.db2.gz PKKRJLWBLCUFCQ-UHFFFAOYSA-N 0 0 198.291 1.686 10 0 ADAERN COC[C@H](C)O[C@H]1C[C@H](O)C1(C)C 85511683 572758647 /nfs/dbraw/zinc/75/86/47/572758647.db2.gz ISKJYRAMVRKOCP-CIUDSAMLSA-N 0 0 188.267 1.197 10 0 ADAERN COC[C@@H](C)O[C@H]1CC(=O)C1(C)C 85506848 572758679 /nfs/dbraw/zinc/75/86/79/572758679.db2.gz DDBUMOLEJCLYQC-APPZFPTMSA-N 0 0 186.251 1.406 10 0 ADAERN CNC(=O)CCCNc1ccsc1 85534622 572758684 /nfs/dbraw/zinc/75/86/84/572758684.db2.gz GEGFXZNACYYBER-UHFFFAOYSA-N 0 0 198.291 1.686 10 0 ADAERN CCC[C@H](CC)S(=O)(=O)NC 307923197 572758754 /nfs/dbraw/zinc/75/87/54/572758754.db2.gz NKTZQAHPOKQGIM-ZETCQYMHSA-N 0 0 179.285 1.114 10 0 ADAERN C[C@H](O)/C=C\CCCN(C)O 307921707 572758764 /nfs/dbraw/zinc/75/87/64/572758764.db2.gz LUYLREBXGZVFFW-HORMHSFOSA-N 0 0 159.229 1.025 10 0 ADAERN O[C@H](CCCCF)[C@H]1CCOC1 308115927 572758765 /nfs/dbraw/zinc/75/87/65/572758765.db2.gz MNIFQRIKFNGBCN-DTWKUNHWSA-N 0 0 176.231 1.524 10 0 ADAERN Cc1cccc(CCCC(N)=O)c1 238518143 572759194 /nfs/dbraw/zinc/75/91/94/572759194.db2.gz WSNUKTOMRMTQME-UHFFFAOYSA-N 0 0 177.247 1.803 10 0 ADAERN CC[C@@H](O)/C=C(\C)NC(=O)OC 307911802 572758796 /nfs/dbraw/zinc/75/87/96/572758796.db2.gz HPNWOFUPJQMWKR-WEWAHIQMSA-N 0 0 173.212 1.017 10 0 ADAERN COC[C@@H](O)CNc1ccsc1 85534579 572758806 /nfs/dbraw/zinc/75/88/06/572758806.db2.gz UISHVQASDFEQJV-QMMMGPOBSA-N 0 0 187.264 1.167 10 0 ADAERN CCON(C)C(=O)[C@@H](C)CC 307912060 572759229 /nfs/dbraw/zinc/75/92/29/572759229.db2.gz XLAGLMRAEBAJNU-ZETCQYMHSA-N 0 0 159.229 1.442 10 0 ADAERN CC[C@H](C)[N@H+](C)[C@@](C)(C(=O)[O-])C1CC1 257359509 572758904 /nfs/dbraw/zinc/75/89/04/572758904.db2.gz ATEJEZYRJXJJLD-GZMMTYOYSA-N 0 0 199.294 1.970 10 0 ADAERN C/C=C/CCCOC(=O)[C@H](C)N 307911809 572758911 /nfs/dbraw/zinc/75/89/11/572758911.db2.gz JIFGNHOPXKNXEX-RTMURIBGSA-N 0 0 171.240 1.233 10 0 ADAERN CC(C)C[C@@H](O)[C@H](C)CCO 307922218 572758946 /nfs/dbraw/zinc/75/89/46/572758946.db2.gz MLIRYHHDMGNQAT-RKDXNWHRSA-N 0 0 160.257 1.412 10 0 ADAERN C/C(=C\[C@H](C)CO)CCCO 307921424 572758993 /nfs/dbraw/zinc/75/89/93/572758993.db2.gz LJYPTYUEXMKPCN-ORZBULNSSA-N 0 0 158.241 1.334 10 0 ADAERN CC(C)[C@@H](C)[C@@H](O)/C=C\CO 307912100 572759003 /nfs/dbraw/zinc/75/90/03/572759003.db2.gz JIBUNHUPNHOGAN-KHTCFXRASA-N 0 0 158.241 1.188 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@@H]1OCCOC 85508827 572759099 /nfs/dbraw/zinc/75/90/99/572759099.db2.gz LMOMGCBBOZLXAD-LPEHRKFASA-N 0 0 188.267 1.199 10 0 ADAERN COC[C@H](C)O[C@H]1CC(=O)C1(C)C 85506844 572759104 /nfs/dbraw/zinc/75/91/04/572759104.db2.gz DDBUMOLEJCLYQC-CBAPKCEASA-N 0 0 186.251 1.406 10 0 ADAERN C/C(=C\[C@@H](C)CO)CCCO 307921422 572759106 /nfs/dbraw/zinc/75/91/06/572759106.db2.gz LJYPTYUEXMKPCN-BNICOGTQSA-N 0 0 158.241 1.334 10 0 ADAERN CCCO[C@@H]1C[C@@H](O)[C@@]1(C)CC 85510176 572759109 /nfs/dbraw/zinc/75/91/09/572759109.db2.gz QXCCBOBOMCGYOO-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN C/C(=C/[C@H](C)CO)CCCO 307921425 572759122 /nfs/dbraw/zinc/75/91/22/572759122.db2.gz LJYPTYUEXMKPCN-XZLDQRQTSA-N 0 0 158.241 1.334 10 0 ADAERN CCC[C@@](C)(O)Cc1csnn1 308115764 572759124 /nfs/dbraw/zinc/75/91/24/572759124.db2.gz MMNZUPZAROARDF-MRVPVSSYSA-N 0 0 186.280 1.632 10 0 ADAERN O[C@@H](CCCCF)[C@H]1CCOC1 308115936 572759129 /nfs/dbraw/zinc/75/91/29/572759129.db2.gz MNIFQRIKFNGBCN-IUCAKERBSA-N 0 0 176.231 1.524 10 0 ADAERN O=C([O-])/C=C\C[NH2+]CCC1CCC1 308115672 572759136 /nfs/dbraw/zinc/75/91/36/572759136.db2.gz RRKJAASGXXLUEY-DJWKRKHSSA-N 0 0 183.251 1.407 10 0 ADAERN CCCO[C@@H]1C[C@H](O)[C@@]1(C)CC 85510169 572759148 /nfs/dbraw/zinc/75/91/48/572759148.db2.gz QXCCBOBOMCGYOO-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN NC(=O)CSc1cccc(C=O)c1 85536522 572759358 /nfs/dbraw/zinc/75/93/58/572759358.db2.gz JEENCWABDQVOTE-UHFFFAOYSA-N 0 0 195.243 1.077 10 0 ADAERN CCC[C@](C)(O)Cc1csnn1 308115766 572759221 /nfs/dbraw/zinc/75/92/21/572759221.db2.gz MMNZUPZAROARDF-QMMMGPOBSA-N 0 0 186.280 1.632 10 0 ADAERN CC[C@H](O)Cc1csc(C)n1 55294467 572759238 /nfs/dbraw/zinc/75/92/38/572759238.db2.gz SWNIZVSZRPCLBO-QMMMGPOBSA-N 0 0 171.265 1.765 10 0 ADAERN CC(C)(O)C(=O)CCCCF 307921061 572759256 /nfs/dbraw/zinc/75/92/56/572759256.db2.gz KYBPMYGPVFARCJ-UHFFFAOYSA-N 0 0 162.204 1.466 10 0 ADAERN CCn1cncc1/C=C(\C)[C@@H](C)O 308116026 572759838 /nfs/dbraw/zinc/75/98/38/572759838.db2.gz SPDAMVXMUIDMAQ-WHXYTISESA-N 0 0 180.251 1.687 10 0 ADAERN CCOC(=O)/C=C\c1nc(C)co1 308115586 572759280 /nfs/dbraw/zinc/75/92/80/572759280.db2.gz QZOCWQPFNDYLNU-PLNGDYQASA-N 0 0 181.191 1.559 10 0 ADAERN CC(C)(C)CCOC1CC(O)C1 85512029 572759288 /nfs/dbraw/zinc/75/92/88/572759288.db2.gz ZECWNIZSWYRCMC-UHFFFAOYSA-N 0 0 172.268 1.963 10 0 ADAERN C/C=C\[C@H](O)C[C@@H]1C[C@]1(C)O 307922720 572759310 /nfs/dbraw/zinc/75/93/10/572759310.db2.gz MUTNAUPLBNWXFN-INBJPNOCSA-N 0 0 156.225 1.084 10 0 ADAERN CCCCC=C=C[C@@H](O)CO 307921391 572759328 /nfs/dbraw/zinc/75/93/28/572759328.db2.gz LFMFAKWCDVRYFC-IOJJLOCKSA-N 0 0 156.225 1.241 10 0 ADAERN C/C=C\C(=O)OCCSCC 307921802 572759337 /nfs/dbraw/zinc/75/93/37/572759337.db2.gz MBZOODLEZYIYKN-HYXAFXHYSA-N 0 0 174.265 1.859 10 0 ADAERN CC[C@H]([NH2+]C/C=C\C(=O)[O-])C(C)C 308116047 572759473 /nfs/dbraw/zinc/75/94/73/572759473.db2.gz SUEYZJQZUDLFSW-UDIARPCQSA-N 0 0 185.267 1.651 10 0 ADAERN C[C@H](O)CSc1cccc(C=O)c1 85536582 572759485 /nfs/dbraw/zinc/75/94/85/572759485.db2.gz NEKZFRHITSIAKK-QMMMGPOBSA-N 0 0 196.271 1.972 10 0 ADAERN CCOCCO[C@H]1CC(=O)C1(C)C 85504547 572759515 /nfs/dbraw/zinc/75/95/15/572759515.db2.gz STIWODZSWRLYLH-VIFPVBQESA-N 0 0 186.251 1.407 10 0 ADAERN CCOCCO[C@H]1C[C@H](O)C1(C)C 85508594 572759526 /nfs/dbraw/zinc/75/95/26/572759526.db2.gz WKKDIQUAOYQDRA-IUCAKERBSA-N 0 0 188.267 1.199 10 0 ADAERN OCC1(COCC2CC2)CC1 236472124 572759537 /nfs/dbraw/zinc/75/95/37/572759537.db2.gz HEORNSMTMWFKPD-UHFFFAOYSA-N 0 0 156.225 1.186 10 0 ADAERN COC(=O)[C@@H](C)CNc1ccsc1 85534703 572759539 /nfs/dbraw/zinc/75/95/39/572759539.db2.gz OMFQZPDYLJTRRV-ZETCQYMHSA-N 0 0 199.275 1.969 10 0 ADAERN CC[C@@H]([NH2+]C/C=C\C(=O)[O-])C(C)C 308116046 572759548 /nfs/dbraw/zinc/75/95/48/572759548.db2.gz SUEYZJQZUDLFSW-SSJHQANKSA-N 0 0 185.267 1.651 10 0 ADAERN CC[C@@]1(C)[C@@H](OCCOC)C[C@H]1O 85508819 572759611 /nfs/dbraw/zinc/75/96/11/572759611.db2.gz LMOMGCBBOZLXAD-KXUCPTDWSA-N 0 0 188.267 1.199 10 0 ADAERN C/C(=C/[C@@H](C)CO)CCCO 307921423 572759628 /nfs/dbraw/zinc/75/96/28/572759628.db2.gz LJYPTYUEXMKPCN-JGAIRUGNSA-N 0 0 158.241 1.334 10 0 ADAERN CC(C)OCCOC1CC(=O)C1 85504950 572759654 /nfs/dbraw/zinc/75/96/54/572759654.db2.gz CPWOMUXTMDXWBD-UHFFFAOYSA-N 0 0 172.224 1.160 10 0 ADAERN C[C@@H](O)/C=C/CCCN(C)O 307921710 572759708 /nfs/dbraw/zinc/75/97/08/572759708.db2.gz LUYLREBXGZVFFW-YZCDNWJKSA-N 0 0 159.229 1.025 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@@H]1OCC1CC1 85509457 572759714 /nfs/dbraw/zinc/75/97/14/572759714.db2.gz JWHHWUUDSZCEIV-GARJFASQSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H](O)C(=O)Cc1ccncc1Cl 235257647 572759728 /nfs/dbraw/zinc/75/97/28/572759728.db2.gz VZJIOAXLIYDCGI-ZCFIWIBFSA-N 0 0 199.637 1.227 10 0 ADAERN N[C@@H]1C(=O)Nc2c1ccc1cnccc21 257359552 572759730 /nfs/dbraw/zinc/75/97/30/572759730.db2.gz WEWJLSVSMAFKGT-VIFPVBQESA-N 0 0 199.213 1.187 10 0 ADAERN Cc1cccc(CCCON)c1O 238518418 572759761 /nfs/dbraw/zinc/75/97/61/572759761.db2.gz MTQBLZMAPBEEGJ-UHFFFAOYSA-N 0 0 181.235 1.524 10 0 ADAERN C/C=C/CCCOC(=O)[C@@H](C)N 307911808 572759821 /nfs/dbraw/zinc/75/98/21/572759821.db2.gz JIFGNHOPXKNXEX-MPJRPATESA-N 0 0 171.240 1.233 10 0 ADAERN CCCc1cc(C2CC2)nc(N)n1 70952353 572759830 /nfs/dbraw/zinc/75/98/30/572759830.db2.gz FBBGZFXRCKXCIE-UHFFFAOYSA-N 0 0 177.251 1.889 10 0 ADAERN Cc1ccncc1NC[C@@H]1CCOC1 70958130 572760022 /nfs/dbraw/zinc/76/00/22/572760022.db2.gz RRJFLVMFUCSVSR-JTQLQIEISA-N 0 0 192.262 1.838 10 0 ADAERN CCOCCO[C@H]1C[C@@H](O)C1(C)C 85508599 572759845 /nfs/dbraw/zinc/75/98/45/572759845.db2.gz WKKDIQUAOYQDRA-BDAKNGLRSA-N 0 0 188.267 1.199 10 0 ADAERN Cc1nccc(CNC/C=C\Cl)n1 308111329 572759850 /nfs/dbraw/zinc/75/98/50/572759850.db2.gz YAQCRSDZUUVAKT-RQOWECAXSA-N 0 0 197.669 1.627 10 0 ADAERN CCOCCO[C@@H]1CC(=O)C1(C)C 85504540 572759864 /nfs/dbraw/zinc/75/98/64/572759864.db2.gz STIWODZSWRLYLH-SECBINFHSA-N 0 0 186.251 1.407 10 0 ADAERN C/C=C\[C@H](C)[C@H](O)[C@H](C)CO 307921005 572759886 /nfs/dbraw/zinc/75/98/86/572759886.db2.gz KRZCRLNCQRTCKK-QAZQFCEKSA-N 0 0 158.241 1.188 10 0 ADAERN CC[C@]1(C)C(=O)C[C@H]1OCCOC 85504747 572759930 /nfs/dbraw/zinc/75/99/30/572759930.db2.gz WJOHGHYXAATBKL-NXEZZACHSA-N 0 0 186.251 1.407 10 0 ADAERN C[C@@H](O)C(=O)[C@@H]1CCOC2(CCC2)C1 235259371 572759978 /nfs/dbraw/zinc/75/99/78/572759978.db2.gz LGBFMCZVWBJVJN-RKDXNWHRSA-N 0 0 198.262 1.286 10 0 ADAERN C[C@@H]1CCCN1c1ccc(N)c(N)c1 235259067 572760215 /nfs/dbraw/zinc/76/02/15/572760215.db2.gz DIWJPNSMNHGSBI-MRVPVSSYSA-N 0 0 191.278 1.840 10 0 ADAERN CC1=CC(=O)N2C1=NCc1ccccc12 238525677 572760059 /nfs/dbraw/zinc/76/00/59/572760059.db2.gz XTDNWOZPDOQJPB-UHFFFAOYSA-N 0 0 198.225 1.892 10 0 ADAERN COC(=O)[C@@H]1C[C@]1(F)Cl 116568889 572760088 /nfs/dbraw/zinc/76/00/88/572760088.db2.gz PTGRCUVGYNWHLN-WVZVXSGGSA-N 0 0 152.552 1.084 10 0 ADAERN CCOC(=O)CNc1ccsc1 85534676 572760102 /nfs/dbraw/zinc/76/01/02/572760102.db2.gz ZIVOXGQJCTULGZ-UHFFFAOYSA-N 0 0 185.248 1.723 10 0 ADAERN COCCCO[C@@H]1C[C@H](O)C1(C)C 85510717 572760129 /nfs/dbraw/zinc/76/01/29/572760129.db2.gz IRGBUPGMKUOVDB-DTWKUNHWSA-N 0 0 188.267 1.199 10 0 ADAERN COC[C@H](O)CNc1ccsc1 85534578 572760777 /nfs/dbraw/zinc/76/07/77/572760777.db2.gz UISHVQASDFEQJV-MRVPVSSYSA-N 0 0 187.264 1.167 10 0 ADAERN CCN(C)C(=O)CNc1ccsc1 85534535 572760457 /nfs/dbraw/zinc/76/04/57/572760457.db2.gz YZJPWHDNJAORHC-UHFFFAOYSA-N 0 0 198.291 1.638 10 0 ADAERN C/C=C/C(=O)OCCSCC 307921799 572760490 /nfs/dbraw/zinc/76/04/90/572760490.db2.gz MBZOODLEZYIYKN-HWKANZROSA-N 0 0 174.265 1.859 10 0 ADAERN CC[C@@H](O)Cc1csc(C)n1 55294468 572760548 /nfs/dbraw/zinc/76/05/48/572760548.db2.gz SWNIZVSZRPCLBO-MRVPVSSYSA-N 0 0 171.265 1.765 10 0 ADAERN COCCO[C@H]1CC(=O)C12CCCC2 85504734 572760569 /nfs/dbraw/zinc/76/05/69/572760569.db2.gz YECXXULGGTYYGM-JTQLQIEISA-N 0 0 198.262 1.551 10 0 ADAERN CC(C)C[C@H](O)[C@H](C)CCO 307922207 572760609 /nfs/dbraw/zinc/76/06/09/572760609.db2.gz MLIRYHHDMGNQAT-BDAKNGLRSA-N 0 0 160.257 1.412 10 0 ADAERN COCCCO[C@H]1CC(=O)C1(C)C 85506133 572760620 /nfs/dbraw/zinc/76/06/20/572760620.db2.gz NZXFHZLVYLMQNQ-VIFPVBQESA-N 0 0 186.251 1.407 10 0 ADAERN CC[C@H](F)CSc1c[nH]nn1 307639167 572760635 /nfs/dbraw/zinc/76/06/35/572760635.db2.gz ZRLACQLTDQZQQR-YFKPBYRVSA-N 0 0 175.232 1.645 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1CC1CC1 235339295 572760648 /nfs/dbraw/zinc/76/06/48/572760648.db2.gz NDQJDFFIXZIZPT-SCZZXKLOSA-N 0 0 197.278 1.582 10 0 ADAERN C/C(=C/C[NH2+]C1CCCC1)C(=O)[O-] 308116043 572760681 /nfs/dbraw/zinc/76/06/81/572760681.db2.gz SUBXERKVWSLQAS-VURMDHGXSA-N 0 0 183.251 1.550 10 0 ADAERN COC(=O)[C@H](O)C1=CCCCCCC1 234562530 572760703 /nfs/dbraw/zinc/76/07/03/572760703.db2.gz WISNROJKAOZVLQ-SNVBAGLBSA-N 0 0 198.262 1.801 10 0 ADAERN CC[C@H](O)/C=C(\C)NC(=O)OC 307911807 572760776 /nfs/dbraw/zinc/76/07/76/572760776.db2.gz HPNWOFUPJQMWKR-XPPMVYLVSA-N 0 0 173.212 1.017 10 0 ADAERN C/C=C\CCNC(=O)C(C)(C)OC 308115649 572760793 /nfs/dbraw/zinc/76/07/93/572760793.db2.gz RLTQQVKWZHESAH-WAYWQWQTSA-N 0 0 185.267 1.494 10 0 ADAERN C[C@H](O)/C=C/CCCN(C)O 307921708 572760798 /nfs/dbraw/zinc/76/07/98/572760798.db2.gz LUYLREBXGZVFFW-JQTRYQTASA-N 0 0 159.229 1.025 10 0 ADAERN COC(=O)CCNc1ccsc1 85534597 572760829 /nfs/dbraw/zinc/76/08/29/572760829.db2.gz MDPKAETZNLGZSS-UHFFFAOYSA-N 0 0 185.248 1.723 10 0 ADAERN CNC(=O)CSCC[C@@H](C)F 307923238 572760842 /nfs/dbraw/zinc/76/08/42/572760842.db2.gz NQGHUNINPVMGPU-ZCFIWIBFSA-N 0 0 179.260 1.214 10 0 ADAERN C[C@@H](O)C(=O)[C@H]1CCOC2(CCC2)C1 235259936 572760846 /nfs/dbraw/zinc/76/08/46/572760846.db2.gz LGBFMCZVWBJVJN-BDAKNGLRSA-N 0 0 198.262 1.286 10 0 ADAERN CCC[C@@H](CC)S(=O)(=O)NC 307923196 572760877 /nfs/dbraw/zinc/76/08/77/572760877.db2.gz NKTZQAHPOKQGIM-SSDOTTSWSA-N 0 0 179.285 1.114 10 0 ADAERN CCCN(OC)C(=O)C(C)C 307922792 572760888 /nfs/dbraw/zinc/76/08/88/572760888.db2.gz NFMGNXOPTIYYLG-UHFFFAOYSA-N 0 0 159.229 1.442 10 0 ADAERN O=S=C1CCCCCCCCN1 307639170 572760890 /nfs/dbraw/zinc/76/08/90/572760890.db2.gz ZSDISGJLQUUEKW-UHFFFAOYSA-N 0 0 187.308 1.663 10 0 ADAERN OCC1(COCC2CC2)CCCC1 236472149 572760901 /nfs/dbraw/zinc/76/09/01/572760901.db2.gz UMJFIBBONVVPMA-UHFFFAOYSA-N 0 0 184.279 1.966 10 0 ADAERN COC(=O)C=CN[C@@H](C)C(C)(C)C 308115598 572760938 /nfs/dbraw/zinc/76/09/38/572760938.db2.gz RARAWKSGORSPBU-UAPHAKCISA-N 0 0 185.267 1.697 10 0 ADAERN O[C@@H](CCCCF)[C@@H]1CCOC1 308115917 572761064 /nfs/dbraw/zinc/76/10/64/572761064.db2.gz MNIFQRIKFNGBCN-BDAKNGLRSA-N 0 0 176.231 1.524 10 0 ADAERN C[PH](C)(C)C 55279140 572761108 /nfs/dbraw/zinc/76/11/08/572761108.db2.gz KTZSFYNCPSAEKK-UHFFFAOYSA-N 0 0 92.122 1.256 10 0 ADAERN CC(C)C[C@H](O)[C@@H](C)CCO 307922214 572761118 /nfs/dbraw/zinc/76/11/18/572761118.db2.gz MLIRYHHDMGNQAT-IUCAKERBSA-N 0 0 160.257 1.412 10 0 ADAERN C[C@@H](CNN(C)C)CC(F)F 688711400 572761131 /nfs/dbraw/zinc/76/11/31/572761131.db2.gz HNISEZMTWKUJLI-ZCFIWIBFSA-N 0 0 166.215 1.344 10 0 ADAERN CC(=O)CC(=O)Nc1cnccc1C 70959421 572761179 /nfs/dbraw/zinc/76/11/79/572761179.db2.gz AYGBQLFGCOJZHL-UHFFFAOYSA-N 0 0 192.218 1.308 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]C1CCCC1 308115578 572761188 /nfs/dbraw/zinc/76/11/88/572761188.db2.gz QXIIYKPUWFTXBF-VURMDHGXSA-N 0 0 183.251 1.550 10 0 ADAERN CCn1cncc1/C=C(\C)[C@H](C)O 308116025 572761264 /nfs/dbraw/zinc/76/12/64/572761264.db2.gz SPDAMVXMUIDMAQ-QRJSTWQJSA-N 0 0 180.251 1.687 10 0 ADAERN CC[C@@H](F)CSc1c[nH]nn1 307639166 572761217 /nfs/dbraw/zinc/76/12/17/572761217.db2.gz ZRLACQLTDQZQQR-RXMQYKEDSA-N 0 0 175.232 1.645 10 0 ADAERN CO[C@@H]1CCCC[C@]12CC(=O)N[C@@H]2C 234827483 572761239 /nfs/dbraw/zinc/76/12/39/572761239.db2.gz NOXYJWYPBURBAU-FXPVBKGRSA-N 0 0 197.278 1.470 10 0 ADAERN C/C(=C/C[NH2+]CC1CCC1)C(=O)[O-] 308116055 572761241 /nfs/dbraw/zinc/76/12/41/572761241.db2.gz SWCMIJPZRQHKOU-YVMONPNESA-N 0 0 183.251 1.407 10 0 ADAERN CC[C@@](C)(O)CC/C=C\CO 307914154 572761372 /nfs/dbraw/zinc/76/13/72/572761372.db2.gz NLFHUNMNWXWNSS-XTULLQBASA-N 0 0 158.241 1.476 10 0 ADAERN CC[C@](C)([NH2+][C@@H]1C[C@H]1C)C(=O)[O-] 257362853 572761377 /nfs/dbraw/zinc/76/13/77/572761377.db2.gz LFVQMPZNSMGCRQ-BHNWBGBOSA-N 0 0 171.240 1.238 10 0 ADAERN CCONC[C@H]1Cc2ccccc21 85574289 572761384 /nfs/dbraw/zinc/76/13/84/572761384.db2.gz IOBIBVNCMLZWNB-SNVBAGLBSA-N 0 0 177.247 1.867 10 0 ADAERN Cc1ccncc1N1CCC(=O)CC1 70958732 572761390 /nfs/dbraw/zinc/76/13/90/572761390.db2.gz PVBSSWMOUOBJTA-UHFFFAOYSA-N 0 0 190.246 1.559 10 0 ADAERN OCCCSc1cccc(CO)c1 85537271 572761424 /nfs/dbraw/zinc/76/14/24/572761424.db2.gz XAEQROOFNMFZSZ-UHFFFAOYSA-N 0 0 198.287 1.653 10 0 ADAERN Fc1ncccc1OCOCC1CC1 236217154 572761503 /nfs/dbraw/zinc/76/15/03/572761503.db2.gz OZCGWIXEKRUCEC-UHFFFAOYSA-N 0 0 197.209 1.984 10 0 ADAERN CCCSCC(=O)OC1CC1 307913543 572761530 /nfs/dbraw/zinc/76/15/30/572761530.db2.gz ZMDKVNKCVQBWSW-UHFFFAOYSA-N 0 0 174.265 1.835 10 0 ADAERN C[C@@H]([NH3+])c1nc(CNC2CC2)cs1 85550067 572761560 /nfs/dbraw/zinc/76/15/60/572761560.db2.gz HHICMTUTVCJMOF-ZCFIWIBFSA-N 0 0 197.307 1.415 10 0 ADAERN CC/C=C\CC[C@H](O)CCO 307914151 572761617 /nfs/dbraw/zinc/76/16/17/572761617.db2.gz NKYRXEDTGGCHEQ-TYRPZCRBSA-N 0 0 158.241 1.476 10 0 ADAERN C/C=C\[C@@H](C)[C@H](O)[C@H](C)CO 307913122 572761633 /nfs/dbraw/zinc/76/16/33/572761633.db2.gz KRZCRLNCQRTCKK-LOEOWCKYSA-N 0 0 158.241 1.188 10 0 ADAERN C/C=C\C[N@@H+](C)C[C@@H](C)OC 307914075 572761663 /nfs/dbraw/zinc/76/16/63/572761663.db2.gz APMFCUMHNYYKKG-SSJHQANKSA-N 0 0 157.257 1.529 10 0 ADAERN CCCC(=O)CN1C[C@@H]2CC[C@H](C1)O2 85540783 572761747 /nfs/dbraw/zinc/76/17/47/572761747.db2.gz YYCLQLFLTAKJFN-PHIMTYICSA-N 0 0 197.278 1.219 10 0 ADAERN CSCCCC(=O)OC1CC1 307912348 572761753 /nfs/dbraw/zinc/76/17/53/572761753.db2.gz XNVVSHSCEYPJRF-UHFFFAOYSA-N 0 0 174.265 1.835 10 0 ADAERN O[C@@]1(c2cccs2)CCOC1 70962825 572761754 /nfs/dbraw/zinc/76/17/54/572761754.db2.gz SCDVTZXILPJOLS-QMMMGPOBSA-N 0 0 170.233 1.356 10 0 ADAERN COCC[NH2+]Cc1cccc([S-])c1 85537232 572761758 /nfs/dbraw/zinc/76/17/58/572761758.db2.gz GSYYDRPZRRNNSE-UHFFFAOYSA-N 0 0 197.303 1.711 10 0 ADAERN CCC/C=C\[C@H](O)[C@@H](F)C(=O)OC 308120992 572762804 /nfs/dbraw/zinc/76/28/04/572762804.db2.gz INUASJTXPATRDZ-HFFNOEQQSA-N 0 0 190.214 1.215 10 0 ADAERN O[C@]1(c2cccs2)CCOC1 70962829 572761832 /nfs/dbraw/zinc/76/18/32/572761832.db2.gz SCDVTZXILPJOLS-MRVPVSSYSA-N 0 0 170.233 1.356 10 0 ADAERN O=C([O-])C[NH2+]C[C@H]1Cc2ccccc21 85574986 572761871 /nfs/dbraw/zinc/76/18/71/572761871.db2.gz PIRQWOUJPSVBCX-SECBINFHSA-N 0 0 191.230 1.001 10 0 ADAERN [NH3+]C[C@](CCC1CC1)(C(=O)[O-])C1CC1 236217288 572761934 /nfs/dbraw/zinc/76/19/34/572761934.db2.gz CKJZGDXQWDOWPS-NSHDSACASA-N 0 0 197.278 1.616 10 0 ADAERN CCCC/C=C\[C@H]1COC(=O)N1 307914914 572761940 /nfs/dbraw/zinc/76/19/40/572761940.db2.gz VOXHCTBUAFDPDM-SLGIHZDVSA-N 0 0 169.224 1.841 10 0 ADAERN CC1(/C=C\CO)COC(C)(C)OC1 308120844 572761948 /nfs/dbraw/zinc/76/19/48/572761948.db2.gz HUCRJZMDTNOZEO-PLNGDYQASA-N 0 0 186.251 1.324 10 0 ADAERN Cc1ccc([C@@]2(O)CCOC2)cc1 70963092 572762000 /nfs/dbraw/zinc/76/20/00/572762000.db2.gz FLYGSPVRIBAHKL-LLVKDONJSA-N 0 0 178.231 1.603 10 0 ADAERN CC/C=C(/C)[C@@H](O)CC(=O)OCC 308121404 572762028 /nfs/dbraw/zinc/76/20/28/572762028.db2.gz JUPGAYAPHBPQCL-XZLDQRQTSA-N 0 0 186.251 1.657 10 0 ADAERN C[C@H](NC(N)=S)c1ccc(F)cc1 49509577 572762090 /nfs/dbraw/zinc/76/20/90/572762090.db2.gz MBGQADAYWRPWFK-LURJTMIESA-N 0 0 198.266 1.720 10 0 ADAERN O[C@H]1C=CC=CC[C@H]2C[C@H]2C1 307913759 572762119 /nfs/dbraw/zinc/76/21/19/572762119.db2.gz LXJNNWWZHFQKQN-GUBZILKMSA-N 0 0 150.221 1.890 10 0 ADAERN O[C@]1(c2ccccc2Cl)CCOC1 70962820 572762141 /nfs/dbraw/zinc/76/21/41/572762141.db2.gz QHMKNBLKLHSGOC-SNVBAGLBSA-N 0 0 198.649 1.948 10 0 ADAERN CC(C)C[C@]1(O)CCOC1 70963581 572762172 /nfs/dbraw/zinc/76/21/72/572762172.db2.gz DPZVEGTXVRKDPN-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN O[C@@]1(c2ccccc2)CCOC1 70963587 572762183 /nfs/dbraw/zinc/76/21/83/572762183.db2.gz BAFAXBOJKALSOW-JTQLQIEISA-N 0 0 164.204 1.295 10 0 ADAERN O=Cc1cccc(SCCO)c1 85536617 572762243 /nfs/dbraw/zinc/76/22/43/572762243.db2.gz DEHUGADVMAHBNW-UHFFFAOYSA-N 0 0 182.244 1.584 10 0 ADAERN CCc1[n-]n(C(C)C)c(=O)c1CC[NH3+] 250260160 572762257 /nfs/dbraw/zinc/76/22/57/572762257.db2.gz ZCNYMFWGDVOITA-UHFFFAOYSA-N 0 0 197.282 1.233 10 0 ADAERN CC(=CS(C)(=O)=O)NC(C)(C)C 307914899 572762273 /nfs/dbraw/zinc/76/22/73/572762273.db2.gz VLGIYZUAMVWJRI-SREVYHEPSA-N 0 0 191.296 1.280 10 0 ADAERN CC/C=C\CC[C@@H](O)CCO 307914152 572762306 /nfs/dbraw/zinc/76/23/06/572762306.db2.gz NKYRXEDTGGCHEQ-ZBJFTSOASA-N 0 0 158.241 1.476 10 0 ADAERN O[C@@]1(Cc2ccccc2F)CCOC1 70963047 572762372 /nfs/dbraw/zinc/76/23/72/572762372.db2.gz PHTJEAMLZLDRLY-LLVKDONJSA-N 0 0 196.221 1.520 10 0 ADAERN CC(C)(O)/C=C\[C@H](O)c1ccco1 308120989 572762396 /nfs/dbraw/zinc/76/23/96/572762396.db2.gz INCSUNLGJKIKNA-SLGIHZDVSA-N 0 0 182.219 1.640 10 0 ADAERN O[C@H]1C=CC=CC[C@@H]2C[C@H]2C1 307913761 572762446 /nfs/dbraw/zinc/76/24/46/572762446.db2.gz LXJNNWWZHFQKQN-UTLUCORTSA-N 0 0 150.221 1.890 10 0 ADAERN CC[NH2+]Cc1csc([C@H](C)[NH3+])n1 85550125 572762487 /nfs/dbraw/zinc/76/24/87/572762487.db2.gz AJKZGLXTHGDNIK-LURJTMIESA-N 0 0 185.296 1.272 10 0 ADAERN CC(=O)OC[C@@H]1[C@@H](CCO)C1(C)C 211264036 572762505 /nfs/dbraw/zinc/76/25/05/572762505.db2.gz MVYJNPOQUNRDPP-RKDXNWHRSA-N 0 0 186.251 1.204 10 0 ADAERN CCC[C@H](CCO)OCOC 307914662 572762604 /nfs/dbraw/zinc/76/26/04/572762604.db2.gz BLQDOZFDYMYYLU-MRVPVSSYSA-N 0 0 162.229 1.158 10 0 ADAERN CCCCC[C@@H](O)[C@@H](C)OC(C)=O 308121262 572762529 /nfs/dbraw/zinc/76/25/29/572762529.db2.gz IZOBQAISVCNKAP-PSASIEDQSA-N 0 0 188.267 1.879 10 0 ADAERN O[C@H]1C=CC=CC[C@@H]2C[C@@H]2C1 307913475 572762613 /nfs/dbraw/zinc/76/26/13/572762613.db2.gz LXJNNWWZHFQKQN-BBBLOLIVSA-N 0 0 150.221 1.890 10 0 ADAERN C/C=C\[C@H](O)[C@@H](CC)OCC 307914157 572762624 /nfs/dbraw/zinc/76/26/24/572762624.db2.gz NNDYUIXJMBRWMP-JYUDYDOHSA-N 0 0 158.241 1.739 10 0 ADAERN CC(C)C[C@@H](O)Cc1csnn1 308121179 572762648 /nfs/dbraw/zinc/76/26/48/572762648.db2.gz QCGPSWSIKDWGPJ-MRVPVSSYSA-N 0 0 186.280 1.488 10 0 ADAERN CSCC(=O)[N-]OC/C=C/Cl 307912824 572762679 /nfs/dbraw/zinc/76/26/79/572762679.db2.gz YIYYWBQKFPTIOK-NSCUHMNNSA-N 0 0 195.671 1.150 10 0 ADAERN C/C=C(/CC)C(=O)N(C)C#N 307913236 572762708 /nfs/dbraw/zinc/76/27/08/572762708.db2.gz ZAMVHILCIYQCNN-DAXSKMNVSA-N 0 0 152.197 1.282 10 0 ADAERN O[C@@H](c1ccccc1)[C@H]1COCCO1 55303035 572762729 /nfs/dbraw/zinc/76/27/29/572762729.db2.gz WDPULHVNTMYVMU-MNOVXSKESA-N 0 0 194.230 1.135 10 0 ADAERN CC[C@@H]1C[C@H]1[NH2+]C/C(C)=C\C(=O)[O-] 308121309 572762766 /nfs/dbraw/zinc/76/27/66/572762766.db2.gz JJOTWFMTPMNGQE-QNVIJMGISA-N 0 0 183.251 1.405 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H]1Cc2ccccc21 85577290 572762779 /nfs/dbraw/zinc/76/27/79/572762779.db2.gz AQMZCWKVVHRENQ-SNVBAGLBSA-N 0 0 199.257 1.988 10 0 ADAERN Cc1ccccc1[C@@]1(O)CCOC1 70963123 572762781 /nfs/dbraw/zinc/76/27/81/572762781.db2.gz CKMBFCVVOHNSAO-LLVKDONJSA-N 0 0 178.231 1.603 10 0 ADAERN O[C@]1(Cc2ccc(F)cc2)CCOC1 70963144 572762845 /nfs/dbraw/zinc/76/28/45/572762845.db2.gz MHKPZQPSDGRXOX-NSHDSACASA-N 0 0 196.221 1.520 10 0 ADAERN COC(=S)SCCC[C@@H](C)O 307914424 572762848 /nfs/dbraw/zinc/76/28/48/572762848.db2.gz BCTMJAGCSXECDA-ZCFIWIBFSA-N 0 0 194.321 1.812 10 0 ADAERN C/C=C/C[N@@H+](C)C[C@@H](C)OC 307914237 572762854 /nfs/dbraw/zinc/76/28/54/572762854.db2.gz APMFCUMHNYYKKG-VUHVRTRXSA-N 0 0 157.257 1.529 10 0 ADAERN C[C@H]([NH3+])c1nc(CNC2CC2)cs1 85550066 572762878 /nfs/dbraw/zinc/76/28/78/572762878.db2.gz HHICMTUTVCJMOF-LURJTMIESA-N 0 0 197.307 1.415 10 0 ADAERN Cc1cccc([C@@]2(O)CCOC2)c1C 70963316 572762880 /nfs/dbraw/zinc/76/28/80/572762880.db2.gz KRTYALJMJOHRFV-GFCCVEGCSA-N 0 0 192.258 1.911 10 0 ADAERN O[C@@]1(c2ccccc2Cl)CCOC1 70962816 572762885 /nfs/dbraw/zinc/76/28/85/572762885.db2.gz QHMKNBLKLHSGOC-JTQLQIEISA-N 0 0 198.649 1.948 10 0 ADAERN C/C=C\C[N@@H+](C)C[C@H](C)OC 307914236 572762909 /nfs/dbraw/zinc/76/29/09/572762909.db2.gz APMFCUMHNYYKKG-UDIARPCQSA-N 0 0 157.257 1.529 10 0 ADAERN C/C(=C/c1csc(C)n1)[C@H](O)CO 308121006 572762924 /nfs/dbraw/zinc/76/29/24/572762924.db2.gz IQFUARAODVXQQC-JVBZPZKUSA-N 0 0 199.275 1.208 10 0 ADAERN CC(C)SCCN1CCNC1=O 308121155 572762932 /nfs/dbraw/zinc/76/29/32/572762932.db2.gz QASRAZUKWSWBBS-UHFFFAOYSA-N 0 0 188.296 1.153 10 0 ADAERN CC[C@H](C)OC[C@H](C)OC[C@H](C)O 308121255 572762946 /nfs/dbraw/zinc/76/29/46/572762946.db2.gz IYVQMRHAIBCUBX-GUBZILKMSA-N 0 0 190.283 1.587 10 0 ADAERN O=C(CCC(F)F)OCCF 307914570 572762953 /nfs/dbraw/zinc/76/29/53/572762953.db2.gz BHGWLPGLFOPITC-UHFFFAOYSA-N 0 0 170.130 1.544 10 0 ADAERN C/C=C/C[N@@H+](C)C[C@H](C)OC 307914074 572763702 /nfs/dbraw/zinc/76/37/02/572763702.db2.gz APMFCUMHNYYKKG-CYNONHLPSA-N 0 0 157.257 1.529 10 0 ADAERN COCSc1cccc(CO)c1 85537348 572762993 /nfs/dbraw/zinc/76/29/93/572762993.db2.gz UNJMVKBJBSDIJD-UHFFFAOYSA-N 0 0 184.260 1.875 10 0 ADAERN O[C@@H](c1ccccc1)[C@@H]1COCCO1 55303031 572762994 /nfs/dbraw/zinc/76/29/94/572762994.db2.gz WDPULHVNTMYVMU-QWRGUYRKSA-N 0 0 194.230 1.135 10 0 ADAERN Cc1cc(CNC(=O)C2CC2)c(C)o1 70969678 572763032 /nfs/dbraw/zinc/76/30/32/572763032.db2.gz MPOYGGKPVYDPMC-UHFFFAOYSA-N 0 0 193.246 1.923 10 0 ADAERN CC(C)N(C[C@@H]1C[C@@H]1C)C(N)=O 308120915 572763038 /nfs/dbraw/zinc/76/30/38/572763038.db2.gz PRBKPQYTKZPJTA-YUMQZZPRSA-N 0 0 170.256 1.432 10 0 ADAERN CSC[C@@H](C)OC(=O)C(F)F 307912340 572763041 /nfs/dbraw/zinc/76/30/41/572763041.db2.gz XMGZXMLPRCRZSN-SCSAIBSYSA-N 0 0 184.207 1.546 10 0 ADAERN CCn1nc(C)c2cc(CO)cnc21 141510248 572763084 /nfs/dbraw/zinc/76/30/84/572763084.db2.gz DATIEYWEDYPWAM-UHFFFAOYSA-N 0 0 191.234 1.252 10 0 ADAERN Cc1ccc([C@@]2(O)CCOC2)cc1C 70963294 572763086 /nfs/dbraw/zinc/76/30/86/572763086.db2.gz SQBXYTUYSNHPNT-GFCCVEGCSA-N 0 0 192.258 1.911 10 0 ADAERN CCONC[C@H]1Cc2ccccc2O1 85537483 572763117 /nfs/dbraw/zinc/76/31/17/572763117.db2.gz VMTJVPWJYTUSCZ-SNVBAGLBSA-N 0 0 193.246 1.531 10 0 ADAERN C[C@@H](O)/C(=C\c1ccccc1)CO 308121617 572763181 /nfs/dbraw/zinc/76/31/81/572763181.db2.gz LCNQKJDWSPPLLB-MDXIRLPMSA-N 0 0 178.231 1.443 10 0 ADAERN CCOC(=O)[C@H](C)[C@@H](O)[C@H](C)CC 308121313 572763271 /nfs/dbraw/zinc/76/32/71/572763271.db2.gz JKQZDYNEMFREIK-HLTSFMKQSA-N 0 0 188.267 1.593 10 0 ADAERN CO/C=C\C[C@@H]1NC(=O)C[C@H]1C 307913058 572763272 /nfs/dbraw/zinc/76/32/72/572763272.db2.gz NMXJWUVWWKVJMB-RGEPLVOSSA-N 0 0 169.224 1.061 10 0 ADAERN Cc1cc(C)cc([C@]2(O)CCOC2)c1 70963474 572763295 /nfs/dbraw/zinc/76/32/95/572763295.db2.gz AOXKMELICNPJTP-LBPRGKRZSA-N 0 0 192.258 1.911 10 0 ADAERN CSC[C@H](C)OC(=O)C(F)F 307912339 572763338 /nfs/dbraw/zinc/76/33/38/572763338.db2.gz XMGZXMLPRCRZSN-BYPYZUCNSA-N 0 0 184.207 1.546 10 0 ADAERN CC(C)n1cc(N[C@H]2CCOC2)cn1 70969487 572763315 /nfs/dbraw/zinc/76/33/15/572763315.db2.gz MDLUZVQAUGMCGD-VIFPVBQESA-N 0 0 195.266 1.665 10 0 ADAERN COC(C)(C)CSCC(C)=O 307913725 572763320 /nfs/dbraw/zinc/76/33/20/572763320.db2.gz ZVFCVHHIXLYOQH-UHFFFAOYSA-N 0 0 176.281 1.734 10 0 ADAERN COCC(=O)NCc1cc(C)oc1C 70969693 572763342 /nfs/dbraw/zinc/76/33/42/572763342.db2.gz SFUJCGXCKAMJNE-UHFFFAOYSA-N 0 0 197.234 1.159 10 0 ADAERN CSCC(=O)OCC=C(C)C 307913776 572763344 /nfs/dbraw/zinc/76/33/44/572763344.db2.gz ZYZFSPAVWWVTIO-UHFFFAOYSA-N 0 0 174.265 1.859 10 0 ADAERN CCC(CC)[C@@H](C[NH3+])CC(=O)[O-] 13641424 572763376 /nfs/dbraw/zinc/76/33/76/572763376.db2.gz JRRNOELTZJEXBR-MRVPVSSYSA-N 0 0 173.256 1.472 10 0 ADAERN CCONC[C@@H]1Cc2ccccc2O1 85537482 572764730 /nfs/dbraw/zinc/76/47/30/572764730.db2.gz VMTJVPWJYTUSCZ-JTQLQIEISA-N 0 0 193.246 1.531 10 0 ADAERN CC(C)(O)C(=O)NC1CC(C2CC2)C1 714548638 572763405 /nfs/dbraw/zinc/76/34/05/572763405.db2.gz AIFJWQOLDUMYDM-UHFFFAOYSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@@H](/C=C\CO)C1(O)CCCCC1 308121461 572763426 /nfs/dbraw/zinc/76/34/26/572763426.db2.gz KIEAIEBBEWHCCI-OMMCCPJFSA-N 0 0 184.279 1.866 10 0 ADAERN C[C@@H](O)CSc1cccc(CO)c1 85537379 572763450 /nfs/dbraw/zinc/76/34/50/572763450.db2.gz QTQSFWPHZWJVJK-MRVPVSSYSA-N 0 0 198.287 1.652 10 0 ADAERN CC[C@](C)(O)CC/C=C\CO 307914153 572763502 /nfs/dbraw/zinc/76/35/02/572763502.db2.gz NLFHUNMNWXWNSS-RNEXMXFGSA-N 0 0 158.241 1.476 10 0 ADAERN COC(=S)SCCC[C@H](C)O 307914423 572763541 /nfs/dbraw/zinc/76/35/41/572763541.db2.gz BCTMJAGCSXECDA-LURJTMIESA-N 0 0 194.321 1.812 10 0 ADAERN CC(C)(O)/C=C\[C@@H](O)c1ccco1 308120988 572763543 /nfs/dbraw/zinc/76/35/43/572763543.db2.gz INCSUNLGJKIKNA-RPSMYOMKSA-N 0 0 182.219 1.640 10 0 ADAERN O[C@]1(c2ccccc2F)CCOC1 70963249 572763565 /nfs/dbraw/zinc/76/35/65/572763565.db2.gz OWIKKOAZGFZTBO-SNVBAGLBSA-N 0 0 182.194 1.434 10 0 ADAERN O[C@H](c1ccccc1)[C@@H]1COCCO1 55303033 572763577 /nfs/dbraw/zinc/76/35/77/572763577.db2.gz WDPULHVNTMYVMU-WDEREUQCSA-N 0 0 194.230 1.135 10 0 ADAERN CCCCC[C@@H](O)[C@H](C)OC(C)=O 308121263 572763599 /nfs/dbraw/zinc/76/35/99/572763599.db2.gz IZOBQAISVCNKAP-WCBMZHEXSA-N 0 0 188.267 1.879 10 0 ADAERN CC(C)N(C[C@H]1C[C@H]1C)C(N)=O 308120912 572763606 /nfs/dbraw/zinc/76/36/06/572763606.db2.gz PRBKPQYTKZPJTA-HTQZYQBOSA-N 0 0 170.256 1.432 10 0 ADAERN CCC(CC)C[C@@H](C[NH3+])CC(=O)[O-] 13641418 572763629 /nfs/dbraw/zinc/76/36/29/572763629.db2.gz YGEARDJSZALSKR-SECBINFHSA-N 0 0 187.283 1.862 10 0 ADAERN CCOC(=O)/C=C\[C@@H](C)[C@@H](O)CC 308120946 572763638 /nfs/dbraw/zinc/76/36/38/572763638.db2.gz ICYAIMRJILIUJV-WVXMWNJGSA-N 0 0 186.251 1.513 10 0 ADAERN CSCC(=O)[N-]OC/C=C\Cl 307912823 572763663 /nfs/dbraw/zinc/76/36/63/572763663.db2.gz YIYYWBQKFPTIOK-IHWYPQMZSA-N 0 0 195.671 1.150 10 0 ADAERN CCNC(=O)CCSC(F)F 307913212 572763759 /nfs/dbraw/zinc/76/37/59/572763759.db2.gz YWKDYKVKXNAXPR-UHFFFAOYSA-N 0 0 183.223 1.468 10 0 ADAERN CCC[NH2+]Cc1csc([C@H](C)[NH3+])n1 85549997 572763785 /nfs/dbraw/zinc/76/37/85/572763785.db2.gz DORDOPQKERAJBO-ZETCQYMHSA-N 0 0 199.323 1.662 10 0 ADAERN O[C@H]1C=CC=CC[C@H]2C[C@@H]2C1 307913474 572763790 /nfs/dbraw/zinc/76/37/90/572763790.db2.gz LXJNNWWZHFQKQN-AEJSXWLSSA-N 0 0 150.221 1.890 10 0 ADAERN C/C=C\[C@H](O)[C@H](CC)OCC 307914158 572763836 /nfs/dbraw/zinc/76/38/36/572763836.db2.gz NNDYUIXJMBRWMP-LSRCEVBISA-N 0 0 158.241 1.739 10 0 ADAERN CC(C)n1cc(N[C@@H]2CCOC2)cn1 70969484 572763872 /nfs/dbraw/zinc/76/38/72/572763872.db2.gz MDLUZVQAUGMCGD-SECBINFHSA-N 0 0 195.266 1.665 10 0 ADAERN Cc1ccccc1[C@]1(O)CCOC1 70963118 572763881 /nfs/dbraw/zinc/76/38/81/572763881.db2.gz CKMBFCVVOHNSAO-NSHDSACASA-N 0 0 178.231 1.603 10 0 ADAERN CC(C)/C=C\[C@H](C)[C@H](O)[C@H](C)CO 308120977 572763897 /nfs/dbraw/zinc/76/38/97/572763897.db2.gz ILBAEXAYLQMETI-ISSGJFGHSA-N 0 0 186.295 1.824 10 0 ADAERN Cc1nn(C)c(C)c1N[C@@H]1CCOC1 70964657 572763900 /nfs/dbraw/zinc/76/39/00/572763900.db2.gz PTYCRKZHDKHFMP-SECBINFHSA-N 0 0 195.266 1.238 10 0 ADAERN O[C@@]1(c2ccccc2F)CCOC1 70963244 572763942 /nfs/dbraw/zinc/76/39/42/572763942.db2.gz OWIKKOAZGFZTBO-JTQLQIEISA-N 0 0 182.194 1.434 10 0 ADAERN Cc1cccc([C@]2(O)CCOC2)c1C 70963313 572763958 /nfs/dbraw/zinc/76/39/58/572763958.db2.gz KRTYALJMJOHRFV-LBPRGKRZSA-N 0 0 192.258 1.911 10 0 ADAERN COC(C)(C)C(=O)Nc1nc(C)co1 234566318 572763979 /nfs/dbraw/zinc/76/39/79/572763979.db2.gz FKLCHWZOBZILEW-UHFFFAOYSA-N 0 0 198.222 1.347 10 0 ADAERN Cc1c(N)n[nH]c1[C@H]1Cc2ccccc21 85577293 572764040 /nfs/dbraw/zinc/76/40/40/572764040.db2.gz AQMZCWKVVHRENQ-JTQLQIEISA-N 0 0 199.257 1.988 10 0 ADAERN CC(C)C[C@@]1(O)CCOC1 70963584 572764064 /nfs/dbraw/zinc/76/40/64/572764064.db2.gz DPZVEGTXVRKDPN-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)C[C@H](O)Cc1csnn1 308121180 572764082 /nfs/dbraw/zinc/76/40/82/572764082.db2.gz QCGPSWSIKDWGPJ-QMMMGPOBSA-N 0 0 186.280 1.488 10 0 ADAERN CCOC(=O)CSC(=S)OC 307914063 572764129 /nfs/dbraw/zinc/76/41/29/572764129.db2.gz AOHSRWMHXPAYCJ-UHFFFAOYSA-N 0 0 194.277 1.214 10 0 ADAERN Cc1ccc([C@]2(O)CCOC2)cc1 70963089 572764175 /nfs/dbraw/zinc/76/41/75/572764175.db2.gz FLYGSPVRIBAHKL-NSHDSACASA-N 0 0 178.231 1.603 10 0 ADAERN CSC[C@@H](O)CCCOC(C)C 689505445 572764211 /nfs/dbraw/zinc/76/42/11/572764211.db2.gz KYAQKNHTJCZLKG-VIFPVBQESA-N 0 0 192.324 1.916 10 0 ADAERN O[C@H](c1ccccc1)[C@H]1COCCO1 55303036 572764215 /nfs/dbraw/zinc/76/42/15/572764215.db2.gz WDPULHVNTMYVMU-GHMZBOCLSA-N 0 0 194.230 1.135 10 0 ADAERN Cn1nc([C@H]2Cc3ccccc32)cc1N 85577304 572764219 /nfs/dbraw/zinc/76/42/19/572764219.db2.gz HHFDFOIFNFTWCK-JTQLQIEISA-N 0 0 199.257 1.690 10 0 ADAERN COc1ccccc1[C@@]1(O)CCOC1 70963662 572764242 /nfs/dbraw/zinc/76/42/42/572764242.db2.gz CCQLJECUMLRQSU-LLVKDONJSA-N 0 0 194.230 1.303 10 0 ADAERN C[C@H](O)/C(=C\c1ccccc1)CO 308121618 572764249 /nfs/dbraw/zinc/76/42/49/572764249.db2.gz LCNQKJDWSPPLLB-MKVDPYIPSA-N 0 0 178.231 1.443 10 0 ADAERN CC(C)[C@H](C)[C@H](C[NH3+])CC(=O)[O-] 13641460 572764253 /nfs/dbraw/zinc/76/42/53/572764253.db2.gz IASDTUBNBCYCJG-YUMQZZPRSA-N 0 0 173.256 1.328 10 0 in-vitro ADAERN CCONC[C@@H]1Cc2ccccc21 85574288 572764277 /nfs/dbraw/zinc/76/42/77/572764277.db2.gz IOBIBVNCMLZWNB-JTQLQIEISA-N 0 0 177.247 1.867 10 0 ADAERN CC(C)OC[C@@H](O)CCCCF 308121207 572764297 /nfs/dbraw/zinc/76/42/97/572764297.db2.gz QDTRNUSRQKSBIM-VIFPVBQESA-N 0 0 178.247 1.912 10 0 ADAERN C[C@H](SCc1ncc[nH]1)[C@@H](C)O 308123131 572766525 /nfs/dbraw/zinc/76/65/25/572766525.db2.gz SERGDLJLILYAMC-RQJHMYQMSA-N 0 0 186.280 1.412 10 0 ADAERN CCOC(=O)[C@H](C)[C@H](O)[C@H](C)CC 308121314 572764316 /nfs/dbraw/zinc/76/43/16/572764316.db2.gz JKQZDYNEMFREIK-IWSPIJDZSA-N 0 0 188.267 1.593 10 0 ADAERN CC(C)OC[C@H](O)CCCCF 308121206 572764321 /nfs/dbraw/zinc/76/43/21/572764321.db2.gz QDTRNUSRQKSBIM-SECBINFHSA-N 0 0 178.247 1.912 10 0 ADAERN Cc1nnc(-c2cc(N)c(C)s2)o1 49452759 572764322 /nfs/dbraw/zinc/76/43/22/572764322.db2.gz IPOQGJNXMVRTST-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+]C/C(C)=C\C(=O)[O-] 308121308 572764328 /nfs/dbraw/zinc/76/43/28/572764328.db2.gz JJOTWFMTPMNGQE-IUYFFOMESA-N 0 0 183.251 1.405 10 0 ADAERN CC(=O)O[C@H](CCCO)CC(C)C 308120857 572764338 /nfs/dbraw/zinc/76/43/38/572764338.db2.gz HXSOIUSVFWJLJC-SNVBAGLBSA-N 0 0 188.267 1.737 10 0 ADAERN CC[C@H](C)C(=O)Cc1csnn1 308120764 572764385 /nfs/dbraw/zinc/76/43/85/572764385.db2.gz PNFDWQRVHMYTHL-LURJTMIESA-N 0 0 184.264 1.696 10 0 ADAERN CC(C)/C=C/[C@H](C)[C@H](O)[C@H](C)CO 308120978 572764410 /nfs/dbraw/zinc/76/44/10/572764410.db2.gz ILBAEXAYLQMETI-VJZJGBKASA-N 0 0 186.295 1.824 10 0 ADAERN O[C@@]1(Cc2ccc(F)cc2)CCOC1 70963140 572764418 /nfs/dbraw/zinc/76/44/18/572764418.db2.gz MHKPZQPSDGRXOX-LLVKDONJSA-N 0 0 196.221 1.520 10 0 ADAERN Cc1ccccc1C[C@@]1(O)CCOC1 70963086 572764446 /nfs/dbraw/zinc/76/44/46/572764446.db2.gz UNFGBUYABSDRQY-LBPRGKRZSA-N 0 0 192.258 1.689 10 0 ADAERN Cc1ccccc1C[C@]1(O)CCOC1 70963084 572764453 /nfs/dbraw/zinc/76/44/53/572764453.db2.gz UNFGBUYABSDRQY-GFCCVEGCSA-N 0 0 192.258 1.689 10 0 ADAERN Cc1cc(C[NH2+]CC(=O)[O-])cs1 308121174 572764471 /nfs/dbraw/zinc/76/44/71/572764471.db2.gz QCGADTCMPNLSJL-UHFFFAOYSA-N 0 0 185.248 1.231 10 0 ADAERN O=C([O-])C[NH2+]C[C@@H]1Cc2ccccc21 85574988 572764473 /nfs/dbraw/zinc/76/44/73/572764473.db2.gz PIRQWOUJPSVBCX-VIFPVBQESA-N 0 0 191.230 1.001 10 0 ADAERN Cc1ccc(C[C@]2(O)CCOC2)cc1 70963017 572764485 /nfs/dbraw/zinc/76/44/85/572764485.db2.gz JKJZKVPDLSEFMV-GFCCVEGCSA-N 0 0 192.258 1.689 10 0 ADAERN C/C=C\C[C@H](O)[C@H](O)/C=C\C 307917631 572766590 /nfs/dbraw/zinc/76/65/90/572766590.db2.gz CHORNZUPEXQNQN-JJYXKUHMSA-N 0 0 156.225 1.251 10 0 ADAERN O[C@]1(Cc2ccccc2F)CCOC1 70963051 572764487 /nfs/dbraw/zinc/76/44/87/572764487.db2.gz PHTJEAMLZLDRLY-NSHDSACASA-N 0 0 196.221 1.520 10 0 ADAERN CC1(C[NH2+]C/C=C\C(=O)[O-])CCC1 308121324 572764490 /nfs/dbraw/zinc/76/44/90/572764490.db2.gz JNSLHNCIKRLIMS-RQOWECAXSA-N 0 0 183.251 1.407 10 0 ADAERN Cc1noc(NCCCCF)n1 308121172 572764493 /nfs/dbraw/zinc/76/44/93/572764493.db2.gz QBTTXQMHCDDCSL-UHFFFAOYSA-N 0 0 173.191 1.540 10 0 ADAERN COc1ccccc1[C@]1(O)CCOC1 70963658 572764516 /nfs/dbraw/zinc/76/45/16/572764516.db2.gz CCQLJECUMLRQSU-NSHDSACASA-N 0 0 194.230 1.303 10 0 ADAERN Cc1nn(C)c(C)c1N[C@H]1CCOC1 70964660 572764518 /nfs/dbraw/zinc/76/45/18/572764518.db2.gz PTYCRKZHDKHFMP-VIFPVBQESA-N 0 0 195.266 1.238 10 0 ADAERN Cc1ccc([C@]2(O)CCOC2)cc1C 70963291 572764520 /nfs/dbraw/zinc/76/45/20/572764520.db2.gz SQBXYTUYSNHPNT-LBPRGKRZSA-N 0 0 192.258 1.911 10 0 ADAERN O[C@]1(c2ccccc2)CCOC1 70963591 572764523 /nfs/dbraw/zinc/76/45/23/572764523.db2.gz BAFAXBOJKALSOW-SNVBAGLBSA-N 0 0 164.204 1.295 10 0 ADAERN CCC/C=C\[C@H](O)[C@H](F)C(=O)OC 308120993 572764549 /nfs/dbraw/zinc/76/45/49/572764549.db2.gz INUASJTXPATRDZ-WXSHZEGDSA-N 0 0 190.214 1.215 10 0 ADAERN CC[C@@](C[NH3+])(CC(=O)[O-])CC(C)C 13641445 572764560 /nfs/dbraw/zinc/76/45/60/572764560.db2.gz QQJBXJITVVXFJG-JTQLQIEISA-N 0 0 187.283 1.862 10 0 ADAERN CC(C)C[C@@](C)(C[NH3+])CC(=O)[O-] 13641436 572764568 /nfs/dbraw/zinc/76/45/68/572764568.db2.gz URGLOJKYXUNVEE-SECBINFHSA-N 0 0 173.256 1.472 10 0 ADAERN CC(C)([NH2+]C/C=C\C(=O)[O-])C1CC1 308121252 572764594 /nfs/dbraw/zinc/76/45/94/572764594.db2.gz IYJRGQHRQKCWPR-ARJAWSKDSA-N 0 0 183.251 1.405 10 0 ADAERN OCCCCCn1cccc1CO 85587835 572766592 /nfs/dbraw/zinc/76/65/92/572766592.db2.gz CKJUQXNMEBSLEK-UHFFFAOYSA-N 0 0 183.251 1.143 10 0 ADAERN Cc1ccc([C@]2(O)CCOC2)c(C)c1 70962775 572764598 /nfs/dbraw/zinc/76/45/98/572764598.db2.gz CJWDNGNOZPXZKK-LBPRGKRZSA-N 0 0 192.258 1.911 10 0 ADAERN C[C@H](O)CSc1cccc(CO)c1 85537378 572764603 /nfs/dbraw/zinc/76/46/03/572764603.db2.gz QTQSFWPHZWJVJK-QMMMGPOBSA-N 0 0 198.287 1.652 10 0 ADAERN COCCSc1cccc(CO)c1 85537283 572764637 /nfs/dbraw/zinc/76/46/37/572764637.db2.gz OSWQVVNHYAMDDI-UHFFFAOYSA-N 0 0 198.287 1.917 10 0 ADAERN CC/C=C\[N@@H+]1CCC[C@@H]1C(=O)[O-] 307918225 572764666 /nfs/dbraw/zinc/76/46/66/572764666.db2.gz SVCBZAHFPVTNGM-WAXIIBMWSA-N 0 0 169.224 1.459 10 0 ADAERN CC(C)N(C[C@@H]1C[C@H]1C)C(N)=O 308120914 572764671 /nfs/dbraw/zinc/76/46/71/572764671.db2.gz PRBKPQYTKZPJTA-SFYZADRCSA-N 0 0 170.256 1.432 10 0 ADAERN CSC[C@H](O)CCCOC(C)C 689505437 572764714 /nfs/dbraw/zinc/76/47/14/572764714.db2.gz KYAQKNHTJCZLKG-SECBINFHSA-N 0 0 192.324 1.916 10 0 ADAERN C/C(CO)=C1\CCCC[C@@H]1O 307915193 572764691 /nfs/dbraw/zinc/76/46/91/572764691.db2.gz QSGXKKSVXLUXJQ-FUOZMLNRSA-N 0 0 156.225 1.230 10 0 ADAERN C[C@H](/C=C\CO)C1(O)CCCCC1 308121462 572764725 /nfs/dbraw/zinc/76/47/25/572764725.db2.gz KIEAIEBBEWHCCI-WWQCOOJYSA-N 0 0 184.279 1.866 10 0 ADAERN Cc1ccc([C@@]2(O)CCOC2)c(C)c1 70962779 572764745 /nfs/dbraw/zinc/76/47/45/572764745.db2.gz CJWDNGNOZPXZKK-GFCCVEGCSA-N 0 0 192.258 1.911 10 0 ADAERN C/C=C1/C(=O)N[C@H]1C[Si](C)(C)C 307917787 572764748 /nfs/dbraw/zinc/76/47/48/572764748.db2.gz RKBWUZMELKAOFB-IVGLGHLBSA-N 0 0 183.327 1.769 10 0 ADAERN OCCSc1cccc(CO)c1 85537256 572764753 /nfs/dbraw/zinc/76/47/53/572764753.db2.gz KDAWSASJYRIWKE-UHFFFAOYSA-N 0 0 184.260 1.263 10 0 ADAERN CCC[NH2+]Cc1csc([C@@H](C)[NH3+])n1 85549993 572764758 /nfs/dbraw/zinc/76/47/58/572764758.db2.gz DORDOPQKERAJBO-SSDOTTSWSA-N 0 0 199.323 1.662 10 0 ADAERN COC(CSCC1CC1)OC 307917636 572764773 /nfs/dbraw/zinc/76/47/73/572764773.db2.gz CIBFFHIXNHHZPV-UHFFFAOYSA-N 0 0 176.281 1.749 10 0 ADAERN Cc1cc(C)cc([C@@]2(O)CCOC2)c1 70963478 572764788 /nfs/dbraw/zinc/76/47/88/572764788.db2.gz AOXKMELICNPJTP-GFCCVEGCSA-N 0 0 192.258 1.911 10 0 ADAERN CCSC[C@H](C)N(C)C(C)=O 307917403 572764813 /nfs/dbraw/zinc/76/48/13/572764813.db2.gz BUNRNMNJANEJSZ-ZETCQYMHSA-N 0 0 175.297 1.606 10 0 ADAERN Cc1ccc(C[C@@]2(O)CCOC2)cc1 70963021 572764831 /nfs/dbraw/zinc/76/48/31/572764831.db2.gz JKJZKVPDLSEFMV-LBPRGKRZSA-N 0 0 192.258 1.689 10 0 ADAERN O=C([O-])C/C=C/C[NH+]1CCCCC1 167651808 572764844 /nfs/dbraw/zinc/76/48/44/572764844.db2.gz NVRPVCWJGDAEGG-GORDUTHDSA-N 0 0 183.251 1.503 10 0 ADAERN CC(C)N(C[C@H]1C[C@@H]1C)C(N)=O 308120913 572764845 /nfs/dbraw/zinc/76/48/45/572764845.db2.gz PRBKPQYTKZPJTA-JGVFFNPUSA-N 0 0 170.256 1.432 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CCC[C@H]1SC 308121451 572764885 /nfs/dbraw/zinc/76/48/85/572764885.db2.gz KFKMTLOSAIHWOE-NUDHGDNISA-N 0 0 199.319 1.963 10 0 ADAERN CC(C)[NH2+]Cc1csc([C@@H](C)[NH3+])n1 85550017 572764918 /nfs/dbraw/zinc/76/49/18/572764918.db2.gz NZEWEQDBGFPKJB-SSDOTTSWSA-N 0 0 199.323 1.661 10 0 ADAERN COC(=O)C(C)(C)NCc1cc[nH]c1 85579183 572764939 /nfs/dbraw/zinc/76/49/39/572764939.db2.gz IIHDNRTZEHGVED-UHFFFAOYSA-N 0 0 196.250 1.056 10 0 ADAERN C/C=C1/C(=O)N[C@@H]1C[Si](C)(C)C 307917788 572764989 /nfs/dbraw/zinc/76/49/89/572764989.db2.gz RKBWUZMELKAOFB-WVXIBAHESA-N 0 0 183.327 1.769 10 0 ADAERN NC(=S)C=C([O-])c1ccccc1 307915384 572765020 /nfs/dbraw/zinc/76/50/20/572765020.db2.gz YPAJFVKEIQZSCW-VURMDHGXSA-N 0 0 179.244 1.872 10 0 ADAERN CC(C)[NH2+]Cc1csc([C@H](C)[NH3+])n1 85550019 572765026 /nfs/dbraw/zinc/76/50/26/572765026.db2.gz NZEWEQDBGFPKJB-ZETCQYMHSA-N 0 0 199.323 1.661 10 0 ADAERN CC(=O)CCCN1C[C@@H]2CC[C@H](C1)O2 85540730 572765060 /nfs/dbraw/zinc/76/50/60/572765060.db2.gz GKLZTPTWCHBNIQ-PHIMTYICSA-N 0 0 197.278 1.219 10 0 ADAERN O=Cc1ccc(-c2cc(=O)o[nH]2)cc1 250259212 572765111 /nfs/dbraw/zinc/76/51/11/572765111.db2.gz SLMKWZNTYVLHCB-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CON(CCC(C)C)C(C)=O 307917412 572765130 /nfs/dbraw/zinc/76/51/30/572765130.db2.gz BVJBLNVCYSSDHJ-UHFFFAOYSA-N 0 0 159.229 1.442 10 0 ADAERN CC(C)=C/C=C(/C)OCCO 307915942 572765704 /nfs/dbraw/zinc/76/57/04/572765704.db2.gz UMQPMTHCYNQCHE-UITAMQMPSA-N 0 0 156.225 1.865 10 0 ADAERN CCC(CC)C(=O)OCOC 307918036 572765194 /nfs/dbraw/zinc/76/51/94/572765194.db2.gz DDGRPAYUIKRHKO-UHFFFAOYSA-N 0 0 160.213 1.570 10 0 ADAERN COC1CN(C/C(Cl)=C\Cl)C1 307918083 572765200 /nfs/dbraw/zinc/76/52/00/572765200.db2.gz DIPBKBGEPAKQJC-QHHAFSJGSA-N 0 0 196.077 1.636 10 0 ADAERN CC/C=C(\C)[C@H](O)[C@H](C)C(=O)OC 308122085 572765230 /nfs/dbraw/zinc/76/52/30/572765230.db2.gz MSWBTAZMWCHJPI-YKAJXJTPSA-N 0 0 186.251 1.513 10 0 ADAERN CSCC[C@H](CCCCF)NN 308122395 572765250 /nfs/dbraw/zinc/76/52/50/572765250.db2.gz RJGLVNSENDWXQO-QMMMGPOBSA-N 0 0 194.319 1.711 10 0 ADAERN CC(=O)N/C=C\CCC[C@@H](C)O 307915669 572765257 /nfs/dbraw/zinc/76/52/57/572765257.db2.gz JKGROJCVRCZFRV-GRKOMRHMSA-N 0 0 171.240 1.187 10 0 ADAERN OC[C@H]1[C@H]2CCCCC=C[C@H]12 307917688 572765278 /nfs/dbraw/zinc/76/52/78/572765278.db2.gz CNSRXPUFFIERAQ-LPEHRKFASA-N 0 0 152.237 1.971 10 0 ADAERN CCSC[C@@H](C)N(C)C(C)=O 307917402 572765287 /nfs/dbraw/zinc/76/52/87/572765287.db2.gz BUNRNMNJANEJSZ-SSDOTTSWSA-N 0 0 175.297 1.606 10 0 ADAERN C/C=C\[C@H](O)[C@H](C)[C@H](O)CC 307917967 572765296 /nfs/dbraw/zinc/76/52/96/572765296.db2.gz CYDATYWYXFODRO-ZKFHSBRMSA-N 0 0 158.241 1.330 10 0 ADAERN C=C/C=C/[C@H](C)[C@H](O)[C@@H](C)C(C)=O 308121824 572765304 /nfs/dbraw/zinc/76/53/04/572765304.db2.gz LYNNMAAXBLDQSZ-IKYYFOQDSA-N 0 0 182.263 1.951 10 0 ADAERN CSc1ccc(CN(C)N)cc1 141505332 572765397 /nfs/dbraw/zinc/76/53/97/572765397.db2.gz FBYKQNZGJPGJJB-UHFFFAOYSA-N 0 0 182.292 1.714 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@H](C)CO 307916574 572765444 /nfs/dbraw/zinc/76/54/44/572765444.db2.gz XFGZFWSLZQSDBW-YIZRAAEISA-N 0 0 160.257 1.412 10 0 ADAERN CC(=O)N/C=C\CCC[C@H](C)O 307915670 572765456 /nfs/dbraw/zinc/76/54/56/572765456.db2.gz JKGROJCVRCZFRV-TVSKSKRASA-N 0 0 171.240 1.187 10 0 ADAERN CC(=O)OC[C@H]1[C@@H](CCO)C1(C)C 211264091 572765495 /nfs/dbraw/zinc/76/54/95/572765495.db2.gz MVYJNPOQUNRDPP-BDAKNGLRSA-N 0 0 186.251 1.204 10 0 ADAERN CCC[C@@H]1C[C@H]1[NH2+]C/C=C\C(=O)[O-] 308123372 572765504 /nfs/dbraw/zinc/76/55/04/572765504.db2.gz SBJUQZZDSDSHET-NUDHGDNISA-N 0 0 183.251 1.405 10 0 ADAERN CC(C)[C@H](O)/C=C\C(C)(C)O 307916615 572765532 /nfs/dbraw/zinc/76/55/32/572765532.db2.gz XPQWNKJXVYAUCD-RPSMYOMKSA-N 0 0 158.241 1.330 10 0 ADAERN COc1cc(O)c2c(c1)C(=O)OC2 141506550 572765568 /nfs/dbraw/zinc/76/55/68/572765568.db2.gz NNNAWHQMILAGGL-UHFFFAOYSA-N 0 0 180.159 1.071 10 0 ADAERN CCCC[C@@](C)(CO)[C@@H](C)O 307915454 572765620 /nfs/dbraw/zinc/76/56/20/572765620.db2.gz SAHPGTLDYRFDAR-BDAKNGLRSA-N 0 0 160.257 1.556 10 0 ADAERN C/C(=C/CCCO)CCCO 307915982 572765743 /nfs/dbraw/zinc/76/57/43/572765743.db2.gz UVDPBMPZMLQSCC-UITAMQMPSA-N 0 0 158.241 1.478 10 0 ADAERN CC[C@H](O)[C@@H](O)/C=C/C(C)(C)C 308121725 572765758 /nfs/dbraw/zinc/76/57/58/572765758.db2.gz QRSNHTHMPUOQQW-YKAJXJTPSA-N 0 0 172.268 1.721 10 0 ADAERN O=Cc1ccn(CCn2ccnc2)c1 85580610 572765776 /nfs/dbraw/zinc/76/57/76/572765776.db2.gz SCPZTICJFLAQMF-UHFFFAOYSA-N 0 0 189.218 1.197 10 0 ADAERN CCOCC[C@@H](O)C1=COCC1 308122889 572765785 /nfs/dbraw/zinc/76/57/85/572765785.db2.gz RWXPATKZBUOZQB-SECBINFHSA-N 0 0 172.224 1.078 10 0 ADAERN CC/C=C\[N@@H+]1CCC[C@H]1C(=O)[O-] 307918224 572765807 /nfs/dbraw/zinc/76/58/07/572765807.db2.gz SVCBZAHFPVTNGM-LBLVLHIFSA-N 0 0 169.224 1.459 10 0 ADAERN CCOC(/C=C\C[C@H](C)O)OCC 308122776 572765839 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YLDQTFZPTNOEBP-FEDQFDDPSA-N 0 0 185.267 1.651 10 0 ADAERN C/C=C\C(=O)NC[C@H](C)OCC 307927465 572775628 /nfs/dbraw/zinc/77/56/28/572775628.db2.gz QYZYSLMODIMIES-HORMHSFOSA-N 0 0 171.240 1.104 10 0 ADAERN CON(C)C(=O)[C@H]1C[C@H]1C(C)C 307928647 572775670 /nfs/dbraw/zinc/77/56/70/572775670.db2.gz LOEFEQYYEPZRCM-YUMQZZPRSA-N 0 0 171.240 1.298 10 0 ADAERN COCCSC[C@H](C)C(C)=O 307926347 572775734 /nfs/dbraw/zinc/77/57/34/572775734.db2.gz RHPCBYNGTGSXPD-ZETCQYMHSA-N 0 0 176.281 1.591 10 0 ADAERN CCOC(=O)NO[C@H](C)CC 307927654 572775801 /nfs/dbraw/zinc/77/58/01/572775801.db2.gz SPARGUZYLTYQBG-ZCFIWIBFSA-N 0 0 161.201 1.463 10 0 ADAERN O=C([O-])/C=C\C[NH2+]Cc1cccs1 308117725 572775809 /nfs/dbraw/zinc/77/58/09/572775809.db2.gz VVHSUVHVFXSZQY-RJRFIUFISA-N 0 0 197.259 1.479 10 0 ADAERN CCCNc1cc(C(N)=O)ccc1N 71009596 572775860 /nfs/dbraw/zinc/77/58/60/572775860.db2.gz QXBFATKUJXYVOA-UHFFFAOYSA-N 0 0 193.250 1.190 10 0 ADAERN C/C(=C/C(=O)N1CC1)C(C)(C)C 307928010 572775926 /nfs/dbraw/zinc/77/59/26/572775926.db2.gz ABCUNXCDDDHRNP-FPLPWBNLSA-N 0 0 167.252 1.821 10 0 ADAERN CCn1cccc1C[NH2+][C@H](C)C(=O)[O-] 85609241 572775975 /nfs/dbraw/zinc/77/59/75/572775975.db2.gz DVHBKYXCKRBCCP-MRVPVSSYSA-N 0 0 196.250 1.071 10 0 ADAERN O[C@@H]1CCOC[C@@H]1CCCCF 308118360 572775985 /nfs/dbraw/zinc/77/59/85/572775985.db2.gz NMJBCUMHPOAKEC-DTWKUNHWSA-N 0 0 176.231 1.524 10 0 ADAERN CC/C=C\C(=O)OCC1CC1 307927144 572775991 /nfs/dbraw/zinc/77/59/91/572775991.db2.gz SAYNKNUIFPMESG-ARJAWSKDSA-N 0 0 154.209 1.906 10 0 ADAERN C/C=C\C[C@@H](O)CCCCO 307927626 572776065 /nfs/dbraw/zinc/77/60/65/572776065.db2.gz SLPCTEWYMDOLJT-PKRMOACSSA-N 0 0 158.241 1.476 10 0 ADAERN CCOC(=O)NO[C@@H](C)CC 307927653 572776088 /nfs/dbraw/zinc/77/60/88/572776088.db2.gz SPARGUZYLTYQBG-LURJTMIESA-N 0 0 161.201 1.463 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)CCCCF 308117584 572776142 /nfs/dbraw/zinc/77/61/42/572776142.db2.gz NHCNXTRIQZUQGS-BDAKNGLRSA-N 0 0 176.231 1.258 10 0 ADAERN O=c1cc(NCCCCF)nc[nH]1 308118870 572776168 /nfs/dbraw/zinc/77/61/68/572776168.db2.gz BXJJZTAZZRGLOZ-UHFFFAOYSA-N 0 0 185.202 1.344 10 0 ADAERN OCCSC[C@@H](F)C(F)(F)F 307925908 572776169 /nfs/dbraw/zinc/77/61/69/572776169.db2.gz QMEQBTBVWGFJCN-SCSAIBSYSA-N 0 0 192.177 1.612 10 0 ADAERN CCSCCCN1CC(F)C1 307925882 572776176 /nfs/dbraw/zinc/77/61/76/572776176.db2.gz QHJGUFPNMHIAKR-UHFFFAOYSA-N 0 0 177.288 1.783 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@@H]1C(C)C 307928644 572776562 /nfs/dbraw/zinc/77/65/62/572776562.db2.gz LOEFEQYYEPZRCM-HTQZYQBOSA-N 0 0 171.240 1.298 10 0 ADAERN CO[C@@H](CC(C)C)[C@H](O)[C@@H](C)CO 308117614 572776220 /nfs/dbraw/zinc/77/62/20/572776220.db2.gz CECCRBYBNGGGNS-LPEHRKFASA-N 0 0 190.283 1.037 10 0 ADAERN C/C=C\C(=O)NCc1ccoc1 307926206 572776226 /nfs/dbraw/zinc/77/62/26/572776226.db2.gz HDNMPYMQTCHFQO-IHWYPQMZSA-N 0 0 165.192 1.472 10 0 ADAERN CC(=O)O[C@H](C)CCC/C=C\CO 308117605 572776252 /nfs/dbraw/zinc/77/62/52/572776252.db2.gz CBERLICIOXEHDA-XTULLQBASA-N 0 0 186.251 1.657 10 0 ADAERN C[C@@H]([NH2+]C/C=C\C(=O)[O-])C(C)(C)C 308117774 572776256 /nfs/dbraw/zinc/77/62/56/572776256.db2.gz WERVAIVORQADTJ-RPSMYOMKSA-N 0 0 185.267 1.651 10 0 ADAERN CCCOC[C@H](O)C(F)(F)F 85703213 572776280 /nfs/dbraw/zinc/77/62/80/572776280.db2.gz PRPSZVBXLKGDLO-YFKPBYRVSA-N 0 0 172.146 1.336 10 0 ADAERN COCCCC[C@@H](O)C1CC1 71007961 572776290 /nfs/dbraw/zinc/77/62/90/572776290.db2.gz FPSNTAMXFMBSLR-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CCO[C@@H](C(C)=O)c1nccs1 307926543 572776299 /nfs/dbraw/zinc/77/62/99/572776299.db2.gz XCPGDHLKYCOXHV-ZETCQYMHSA-N 0 0 185.248 1.810 10 0 ADAERN CCn1cccc1CC[C@H](C)O 85608350 572776303 /nfs/dbraw/zinc/77/63/03/572776303.db2.gz BVCTVTCYOZLDKP-VIFPVBQESA-N 0 0 167.252 1.821 10 0 ADAERN CCONCC(F)(F)C(F)F 307926348 572776332 /nfs/dbraw/zinc/77/63/32/572776332.db2.gz RHSMMFAWXNPKRO-UHFFFAOYSA-N 0 0 175.125 1.428 10 0 ADAERN O[C@@H]1CCOC[C@H]1CCCCF 308118372 572776342 /nfs/dbraw/zinc/77/63/42/572776342.db2.gz NMJBCUMHPOAKEC-RKDXNWHRSA-N 0 0 176.231 1.524 10 0 ADAERN Cc1ccc([C@H](C)NC(N)=S)cc1 49558025 572776344 /nfs/dbraw/zinc/77/63/44/572776344.db2.gz SQSCJVLMAKSXOT-QMMMGPOBSA-N 0 0 194.303 1.889 10 0 ADAERN CCOC(=O)[C@H]1SN=N[C@H]1C 79062135 572776599 /nfs/dbraw/zinc/77/65/99/572776599.db2.gz DVMJUWYBBDUOKC-WHFBIAKZSA-N 0 0 174.225 1.421 10 0 ADAERN CSCCCO[C@@H]1CCOC1 307928113 572776633 /nfs/dbraw/zinc/77/66/33/572776633.db2.gz SUILIDJTLHXXMW-MRVPVSSYSA-N 0 0 176.281 1.545 10 0 ADAERN CC(C)[C@@H](C)C[NH2+]C/C=C\C(=O)[O-] 308117780 572776726 /nfs/dbraw/zinc/77/67/26/572776726.db2.gz WHDLDFFCAWEIMK-WBSSQXGSSA-N 0 0 185.267 1.509 10 0 ADAERN O=C1NCC[C@H]1CCCCCCO 236477682 572776711 /nfs/dbraw/zinc/77/67/11/572776711.db2.gz OZEWSZGJGMEXEC-SECBINFHSA-N 0 0 185.267 1.065 10 0 ADAERN C/C=C\CC[NH2+][C@@H](C)CC(=O)[O-] 307926351 572776748 /nfs/dbraw/zinc/77/67/48/572776748.db2.gz NKNXABOZYJMUNG-VEMNSZJBSA-N 0 0 171.240 1.405 10 0 ADAERN CCNC(=O)NCCSCC 307926764 572776811 /nfs/dbraw/zinc/77/68/11/572776811.db2.gz RKQVDVAOKDZRPZ-UHFFFAOYSA-N 0 0 176.285 1.059 10 0 ADAERN O=C1NCC[C@@H]1CCCCCCO 236478375 572776788 /nfs/dbraw/zinc/77/67/88/572776788.db2.gz OZEWSZGJGMEXEC-VIFPVBQESA-N 0 0 185.267 1.065 10 0 ADAERN CCn1cccc1CC[C@@H](C)O 85608347 572776795 /nfs/dbraw/zinc/77/67/95/572776795.db2.gz BVCTVTCYOZLDKP-SECBINFHSA-N 0 0 167.252 1.821 10 0 ADAERN CC[C@H](OC)C(=O)c1ccc[nH]1 307928544 572776814 /nfs/dbraw/zinc/77/68/14/572776814.db2.gz ANTNAJXXMMZCQO-QMMMGPOBSA-N 0 0 167.208 1.622 10 0 ADAERN O=C1CC=C=CCC(=O)CC=CC1 308118077 572777138 /nfs/dbraw/zinc/77/71/38/572777138.db2.gz YAFPHDRSOFPTLQ-UHFFFAOYSA-N 0 0 176.215 1.966 10 0 ADAERN O=c1ccn(CCCCCCO)cc1 236479349 572777143 /nfs/dbraw/zinc/77/71/43/572777143.db2.gz LJIODVWPPMNVEF-UHFFFAOYSA-N 0 0 195.262 1.401 10 0 ADAERN O=Cc1ccn(CCCCCCO)c1 236479398 572777173 /nfs/dbraw/zinc/77/71/73/572777173.db2.gz OOBNXJHROOBTFO-UHFFFAOYSA-N 0 0 195.262 1.853 10 0 ADAERN CCC[C@H](C)[C@H]([NH3+])C(C)(C)C(=O)[O-] 308118356 572777191 /nfs/dbraw/zinc/77/71/91/572777191.db2.gz BDTUAECJYRRRAF-YUMQZZPRSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)N(C)C(=O)/C=C/C1CC1 307929896 572777648 /nfs/dbraw/zinc/77/76/48/572777648.db2.gz BJOPGZITXCEQTN-VOTSOKGWSA-N 0 0 167.252 1.819 10 0 ADAERN CCCCC[C@H](OC(C)=O)[C@H](C)O 308117716 572777207 /nfs/dbraw/zinc/77/72/07/572777207.db2.gz CXIHLRUNGPPIHB-WPRPVWTQSA-N 0 0 188.267 1.879 10 0 ADAERN O[C@H](C1=CCCO1)c1ccc(F)nc1 686124614 572777209 /nfs/dbraw/zinc/77/72/09/572777209.db2.gz DPRMDNIVLPKDGV-JTQLQIEISA-N 0 0 195.193 1.558 10 0 ADAERN C[C@H]([NH2+]C/C=C\C(=O)[O-])C(C)(C)C 308117775 572777219 /nfs/dbraw/zinc/77/72/19/572777219.db2.gz WERVAIVORQADTJ-SLGIHZDVSA-N 0 0 185.267 1.651 10 0 ADAERN CCNC(=O)c1ccc(N)c(NC)c1 71010301 572777226 /nfs/dbraw/zinc/77/72/26/572777226.db2.gz YXYURTANJNJPFY-UHFFFAOYSA-N 0 0 193.250 1.060 10 0 ADAERN C[C@@H](O)CC(=O)OC[Si](C)(C)C 308117574 572777649 /nfs/dbraw/zinc/77/76/49/572777649.db2.gz NGUVMQSYBLYWOH-SSDOTTSWSA-N 0 0 190.315 1.178 10 0 ADAERN CCCC[C@@H](O)c1cn(C)nn1 307928941 572777579 /nfs/dbraw/zinc/77/75/79/572777579.db2.gz AXFBMSBSNWIUKT-MRVPVSSYSA-N 0 0 169.228 1.039 10 0 ADAERN C=C/C=C/CC[C@@H]1COCC[C@H]1O 713748335 572777311 /nfs/dbraw/zinc/77/73/11/572777311.db2.gz KDKQVSSKMOAADV-YIZUVKHSSA-N 0 0 182.263 1.906 10 0 ADAERN CCC[C@](C)(O)C/C=C/CO 307929665 572777331 /nfs/dbraw/zinc/77/73/31/572777331.db2.gz USLKLHNUVAHBIS-MOVJSRMASA-N 0 0 158.241 1.476 10 0 ADAERN COCC[C@H](C)C(=O)C(C)(C)F 308117564 572777367 /nfs/dbraw/zinc/77/73/67/572777367.db2.gz NGJFKTIHZXTGSP-ZETCQYMHSA-N 0 0 176.231 1.976 10 0 ADAERN CCC[C@@H]1C[C@H](/C=C\CO)C(=O)O1 308117606 572777372 /nfs/dbraw/zinc/77/73/72/572777372.db2.gz CBVLNERZOBPIFD-LPMXFETPSA-N 0 0 184.235 1.267 10 0 ADAERN C/C(=C\C[NH2+][C@@H](C)C1CC1)C(=O)[O-] 308118136 572777379 /nfs/dbraw/zinc/77/73/79/572777379.db2.gz WQOWNAUMENKKDF-IVGLGHLBSA-N 0 0 183.251 1.405 10 0 ADAERN CCCc1cccc2c1NC(=O)[C@@H]2N 49559954 572777405 /nfs/dbraw/zinc/77/74/05/572777405.db2.gz WIJXTTUAPHDUEB-SECBINFHSA-N 0 0 190.246 1.591 10 0 ADAERN CC(C)[C@H](C)C[NH2+]C/C=C\C(=O)[O-] 308117781 572777428 /nfs/dbraw/zinc/77/74/28/572777428.db2.gz WHDLDFFCAWEIMK-XRVBUDJMSA-N 0 0 185.267 1.509 10 0 ADAERN CCCc1c(N)cnn1CCC 85634596 572777430 /nfs/dbraw/zinc/77/74/30/572777430.db2.gz NEGMCVPCNPBCLQ-UHFFFAOYSA-N 0 0 167.256 1.828 10 0 ADAERN COC(=O)C=CN[C@H](C)C(C)C 307929380 572777449 /nfs/dbraw/zinc/77/74/49/572777449.db2.gz ACUYFCZGCBZBCK-RPSMYOMKSA-N 0 0 171.240 1.307 10 0 ADAERN OCCSC[C@H]1CCC[C@@H](O)C1 307928827 572777465 /nfs/dbraw/zinc/77/74/65/572777465.db2.gz AREWISBHMLUVMM-DTWKUNHWSA-N 0 0 190.308 1.263 10 0 ADAERN Cc1cccnc1N[C@@H]1CCCOC1 71014249 572777472 /nfs/dbraw/zinc/77/74/72/572777472.db2.gz GKAFTCCPZAVJGA-SNVBAGLBSA-N 0 0 192.262 1.981 10 0 ADAERN CC(=O)[C@H](C)[C@@H](O)c1ccccn1 141569391 572777537 /nfs/dbraw/zinc/77/75/37/572777537.db2.gz DYDAFRUUJLDDRN-OIBJUYFYSA-N 0 0 179.219 1.340 10 0 ADAERN CC[C@](O)(COC)C1=COCC1 308118621 572777568 /nfs/dbraw/zinc/77/75/68/572777568.db2.gz NPBRDWUSRNAUIY-VIFPVBQESA-N 0 0 172.224 1.078 10 0 ADAERN CC(C)[NH2+]Cc1c[nH]nc1C1CC1 85654837 572777569 /nfs/dbraw/zinc/77/75/69/572777569.db2.gz PFEFILDMRFDSME-UHFFFAOYSA-N 0 0 179.267 1.785 10 0 ADAERN C[C@@H]1CCCC(=O)[C@@H]1C/C=C\CO 308117701 572777609 /nfs/dbraw/zinc/77/76/09/572777609.db2.gz CVLJBJZYYKGEIF-JAFKPYBISA-N 0 0 182.263 1.930 10 0 ADAERN CC(C)COCC1(CO)CC=CC1 714547755 572777615 /nfs/dbraw/zinc/77/76/15/572777615.db2.gz SKJPZBRJSIOWLX-UHFFFAOYSA-N 0 0 184.279 1.988 10 0 ADAERN CC(=O)C[C@H](C)Cc1csnn1 308118681 572777626 /nfs/dbraw/zinc/77/76/26/572777626.db2.gz NSUCKSVLVVMMIB-LURJTMIESA-N 0 0 184.264 1.696 10 0 ADAERN C/C=C/[C@H](O)/C=C\C(=O)OCC 307929597 572777670 /nfs/dbraw/zinc/77/76/70/572777670.db2.gz ASISXHQEYDDCAF-RBBMIURYSA-N 0 0 170.208 1.043 10 0 ADAERN CC[C@H](C)[C@H](C)[NH2+]C/C=C\C(=O)[O-] 308118859 572777695 /nfs/dbraw/zinc/77/76/95/572777695.db2.gz YLDQTFZPTNOEBP-CHVDZCGESA-N 0 0 185.267 1.651 10 0 ADAERN CCC[C@](C)(O)C/C=C\CO 307929666 572777928 /nfs/dbraw/zinc/77/79/28/572777928.db2.gz USLKLHNUVAHBIS-WBSSQXGSSA-N 0 0 158.241 1.476 10 0 ADAERN O[C@H](C1=COCC1)c1ccc(F)nc1 686123920 572778690 /nfs/dbraw/zinc/77/86/90/572778690.db2.gz CDTLMCJTTGJYIX-JTQLQIEISA-N 0 0 195.193 1.558 10 0 ADAERN CCSc1cc(C(N)=O)ccc1N 71010014 572777977 /nfs/dbraw/zinc/77/79/77/572777977.db2.gz ZYGXDBNXAARSCG-UHFFFAOYSA-N 0 0 196.275 1.480 10 0 ADAERN [NH3+][C@H](CC1=CCCCCC1)C(=O)[O-] 141517937 572777997 /nfs/dbraw/zinc/77/79/97/572777997.db2.gz VSMVXPQPJSEKPL-SECBINFHSA-N 0 0 183.251 1.679 10 0 ADAERN COC(C)(C)[C@H](O)CCCCF 308118295 572778009 /nfs/dbraw/zinc/77/80/09/572778009.db2.gz NJNPNBMGUGBDOO-MRVPVSSYSA-N 0 0 178.247 1.912 10 0 ADAERN CCSCCC(=O)NC1CCC1 307928994 572778012 /nfs/dbraw/zinc/77/80/12/572778012.db2.gz CJUAGMQYEUFQQG-UHFFFAOYSA-N 0 0 187.308 1.798 10 0 ADAERN CC[NH2+]Cc1c[nH]nc1C(F)(F)F 85654847 572778695 /nfs/dbraw/zinc/77/86/95/572778695.db2.gz GVECTGRHPXMYQG-UHFFFAOYSA-N 0 0 193.172 1.538 10 0 ADAERN c1cc2cnoc2c2n[nH]cc12 211287402 572778019 /nfs/dbraw/zinc/77/80/19/572778019.db2.gz LSZLGHLTGLJZEK-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN CCCC[C@@H](C)[C@H](O)[C@H](C)CO 307930624 572778054 /nfs/dbraw/zinc/77/80/54/572778054.db2.gz ANSPGPWVRDWEMR-BBBLOLIVSA-N 0 0 174.284 1.802 10 0 ADAERN C[C@@H]1CCCC(=O)[C@H]1C/C=C\CO 308117703 572778063 /nfs/dbraw/zinc/77/80/63/572778063.db2.gz CVLJBJZYYKGEIF-LTFJCZIQSA-N 0 0 182.263 1.930 10 0 ADAERN O[C@H]1CCOC[C@@H]1CCCCF 308118367 572778067 /nfs/dbraw/zinc/77/80/67/572778067.db2.gz NMJBCUMHPOAKEC-IUCAKERBSA-N 0 0 176.231 1.524 10 0 ADAERN CCCCC[C@@H](OC(C)=O)[C@H](C)O 308117714 572778074 /nfs/dbraw/zinc/77/80/74/572778074.db2.gz CXIHLRUNGPPIHB-WCBMZHEXSA-N 0 0 188.267 1.879 10 0 ADAERN OCCCCCCn1cccc1CO 236479791 572778075 /nfs/dbraw/zinc/77/80/75/572778075.db2.gz PHNGQIKNONLOCH-UHFFFAOYSA-N 0 0 197.278 1.533 10 0 ADAERN COCc1ccn(CC(F)(F)F)n1 307928847 572778076 /nfs/dbraw/zinc/77/80/76/572778076.db2.gz UEKUBGGILSWDOY-UHFFFAOYSA-N 0 0 194.156 1.592 10 0 ADAERN 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572778511 /nfs/dbraw/zinc/77/85/11/572778511.db2.gz UNEQJGGOXHCHRU-YUMQZZPRSA-N 0 0 164.220 1.522 10 0 ADAERN CC(=O)C[C@@H](C)Cc1csnn1 308118682 572778526 /nfs/dbraw/zinc/77/85/26/572778526.db2.gz NSUCKSVLVVMMIB-ZCFIWIBFSA-N 0 0 184.264 1.696 10 0 ADAERN CC[C@H](O)C/C=C(\C)OC(C)=O 307929438 572778581 /nfs/dbraw/zinc/77/85/81/572778581.db2.gz AQONHDBFHPOSBS-IWGCBNPKSA-N 0 0 172.224 1.614 10 0 ADAERN O[C@@H](CCCCF)[C@H](O)C1CC1 308117585 572778587 /nfs/dbraw/zinc/77/85/87/572778587.db2.gz NHCNXTRIQZUQGS-DTWKUNHWSA-N 0 0 176.231 1.258 10 0 ADAERN Nc1cccc(N[C@@H]2CCCOC2)c1 71012169 572778592 /nfs/dbraw/zinc/77/85/92/572778592.db2.gz JTLXYXNHBGMBOC-LLVKDONJSA-N 0 0 192.262 1.860 10 0 ADAERN CCONCc1cccnc1C 308118432 572778646 /nfs/dbraw/zinc/77/86/46/572778646.db2.gz NNUNLNLHXGSEPZ-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN O=C1NCCC[C@H]1CCCCCCO 236477643 572778773 /nfs/dbraw/zinc/77/87/73/572778773.db2.gz HWJXRJFRNSLNHU-SNVBAGLBSA-N 0 0 199.294 1.455 10 0 ADAERN CO[C@H](C)[C@@H](O)CCCCF 307929639 572778858 /nfs/dbraw/zinc/77/88/58/572778858.db2.gz UNEQJGGOXHCHRU-SFYZADRCSA-N 0 0 164.220 1.522 10 0 ADAERN CCONC(=O)[C@@H](C)CC(C)C 307929730 572778905 /nfs/dbraw/zinc/77/89/05/572778905.db2.gz DLVTWSUDBPZCCC-QMMMGPOBSA-N 0 0 173.256 1.736 10 0 ADAERN O=C1NCCC[C@@H]1CCCCCCO 236478344 572778917 /nfs/dbraw/zinc/77/89/17/572778917.db2.gz HWJXRJFRNSLNHU-JTQLQIEISA-N 0 0 199.294 1.455 10 0 ADAERN CC[NH2+]Cc1c[nH]nc1C(F)F 85654857 572778957 /nfs/dbraw/zinc/77/89/57/572778957.db2.gz SWDHJNDDBHFLBS-UHFFFAOYSA-N 0 0 175.182 1.457 10 0 ADAERN O=Cc1cccn1CCCCCCO 236479765 572778995 /nfs/dbraw/zinc/77/89/95/572778995.db2.gz JBUKSCIKPAQTMJ-UHFFFAOYSA-N 0 0 195.262 1.853 10 0 ADAERN CCCC[C@H]([NH3+])c1cn(C)nn1 307928892 572779058 /nfs/dbraw/zinc/77/90/58/572779058.db2.gz AUKHEEHHTIVBMD-ZETCQYMHSA-N 0 0 168.244 1.005 10 0 ADAERN CC(C)C(=O)N[C@@H](C)CC(F)F 307929259 572779071 /nfs/dbraw/zinc/77/90/71/572779071.db2.gz BFWUAKBWKPTOBM-LURJTMIESA-N 0 0 179.210 1.802 10 0 ADAERN 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PDPPXRFBEKFVEA-UHFFFAOYSA-N 0 0 184.260 1.815 10 0 ADAERN C/C(=C/C(C)C)[C@@H](O)[C@@H](C)CO 307930271 572779719 /nfs/dbraw/zinc/77/97/19/572779719.db2.gz AITHBCIHDFWJOC-FGRQDEOASA-N 0 0 172.268 1.578 10 0 ADAERN CC[C@@H](O)C/C=C(\C)OC(C)=O 307929440 572779551 /nfs/dbraw/zinc/77/95/51/572779551.db2.gz AQONHDBFHPOSBS-VPIOIWJLSA-N 0 0 172.224 1.614 10 0 ADAERN OCCSC[C@@H]1CCC[C@H](O)C1 307928824 572779561 /nfs/dbraw/zinc/77/95/61/572779561.db2.gz AREWISBHMLUVMM-BDAKNGLRSA-N 0 0 190.308 1.263 10 0 ADAERN C[C@H]1CC[C@H]1[N@H+](C)CCC(=O)[O-] 308119132 572779726 /nfs/dbraw/zinc/77/97/26/572779726.db2.gz OAYUZNJIIWNACS-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN CO[C@H]1CCC[C@H](Nc2cn[nH]c2)C1 234837614 572779674 /nfs/dbraw/zinc/77/96/74/572779674.db2.gz CVFICZJXZZQCBO-WPRPVWTQSA-N 0 0 195.266 1.779 10 0 ADAERN O=Cc1cn(CCCCCCO)cn1 236479863 572779680 /nfs/dbraw/zinc/77/96/80/572779680.db2.gz FBZWMKJUTXCITH-UHFFFAOYSA-N 0 0 196.250 1.248 10 0 ADAERN C/C=C\[C@H](O)CCC1OCCO1 307930401 572779741 /nfs/dbraw/zinc/77/97/41/572779741.db2.gz AKSVZPIJSPWNCC-KZUAUGPASA-N 0 0 172.224 1.077 10 0 ADAERN CC(C)[NH2+]Cc1c[nH]nc1C(F)F 85654831 572779794 /nfs/dbraw/zinc/77/97/94/572779794.db2.gz RWLUIBFQDMISKG-UHFFFAOYSA-N 0 0 189.209 1.845 10 0 ADAERN CCO[C@H](C)O[C@H](C)C/C=C\CO 308119622 572779784 /nfs/dbraw/zinc/77/97/84/572779784.db2.gz DBVFTNOLPKAAQK-LZCWPNQWSA-N 0 0 188.267 1.713 10 0 ADAERN OCCSC[C@@H]1CCC[C@@H](O)C1 307928830 572779792 /nfs/dbraw/zinc/77/97/92/572779792.db2.gz AREWISBHMLUVMM-RKDXNWHRSA-N 0 0 190.308 1.263 10 0 ADAERN O[C@H](CCCCF)c1cn[nH]c1 308119904 572779810 /nfs/dbraw/zinc/77/98/10/572779810.db2.gz OKJWAVDAGDOHTN-MRVPVSSYSA-N 0 0 172.203 1.583 10 0 ADAERN CC[C@H](Cc1csnn1)[C@H](C)O 308120192 572780068 /nfs/dbraw/zinc/78/00/68/572780068.db2.gz ORXYEPLJRZSQIX-NKWVEPMBSA-N 0 0 186.280 1.488 10 0 ADAERN COC/C(C)=C/C[C@@H](O)C[C@H](C)O 308120337 572779896 /nfs/dbraw/zinc/77/98/96/572779896.db2.gz GLBVNBHQSOJXRW-GNKRQNHBSA-N 0 0 188.267 1.101 10 0 ADAERN CC[C@H](Cc1csnn1)[C@@H](C)O 308120193 572779904 /nfs/dbraw/zinc/77/99/04/572779904.db2.gz ORXYEPLJRZSQIX-RNFRBKRXSA-N 0 0 186.280 1.488 10 0 ADAERN O[C@@H](CCCCF)c1cn[nH]c1 308119905 572780041 /nfs/dbraw/zinc/78/00/41/572780041.db2.gz OKJWAVDAGDOHTN-QMMMGPOBSA-N 0 0 172.203 1.583 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]CC1CCC1 308119233 572780051 /nfs/dbraw/zinc/78/00/51/572780051.db2.gz YNUALYCZQSWLIW-YVMONPNESA-N 0 0 183.251 1.407 10 0 ADAERN C/C(=C\C(C)C)[C@H](O)[C@@H](C)CO 307930284 572780097 /nfs/dbraw/zinc/78/00/97/572780097.db2.gz AITHBCIHDFWJOC-VCQGXKKCSA-N 0 0 172.268 1.578 10 0 ADAERN CO[C@@H](C)[C@H](O)CCCCF 307929638 572780100 /nfs/dbraw/zinc/78/01/00/572780100.db2.gz UNEQJGGOXHCHRU-JGVFFNPUSA-N 0 0 164.220 1.522 10 0 ADAERN C/C=C\[C@H](O)/C=C/C(=O)OCC 307929595 572780104 /nfs/dbraw/zinc/78/01/04/572780104.db2.gz ASISXHQEYDDCAF-DVIPSUTNSA-N 0 0 170.208 1.043 10 0 ADAERN C[C@@H]1CC[C@H]1[N@H+](C)CCC(=O)[O-] 308119131 572780116 /nfs/dbraw/zinc/78/01/16/572780116.db2.gz OAYUZNJIIWNACS-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN OCCSC[C@H]1CCC[C@H](O)C1 307928829 572780166 /nfs/dbraw/zinc/78/01/66/572780166.db2.gz AREWISBHMLUVMM-IUCAKERBSA-N 0 0 190.308 1.263 10 0 ADAERN CC/C(=C\[C@]1(O)C=CCCC1)CO 308120044 572780193 /nfs/dbraw/zinc/78/01/93/572780193.db2.gz FGQHJLYLWYRKGD-UQSGXBNBSA-N 0 0 182.263 1.786 10 0 ADAERN C[C@]1(O)CCCC[C@H]1/C=C\CO 308120403 572780197 /nfs/dbraw/zinc/78/01/97/572780197.db2.gz PBFQHKPTHFZMQK-SBXZVLJPSA-N 0 0 170.252 1.476 10 0 ADAERN CC[C@@H](C)[C@@H](C(=O)OC)[C@H](C)O 307929379 572780198 /nfs/dbraw/zinc/78/01/98/572780198.db2.gz ACTPWENQBCKZOE-GJMOJQLCSA-N 0 0 174.240 1.203 10 0 ADAERN OCC1CCC(OCC(F)F)CC1 236483736 572780214 /nfs/dbraw/zinc/78/02/14/572780214.db2.gz PSLJDDBMNBUUGY-UHFFFAOYSA-N 0 0 194.221 1.819 10 0 ADAERN COC(=O)C=CN[C@@H](C)C(C)C 307929382 572780217 /nfs/dbraw/zinc/78/02/17/572780217.db2.gz ACUYFCZGCBZBCK-SLGIHZDVSA-N 0 0 171.240 1.307 10 0 ADAERN CC(C)CCC(=O)N1CCSC1 308120162 572780218 /nfs/dbraw/zinc/78/02/18/572780218.db2.gz OQDISXUNHBFUMV-UHFFFAOYSA-N 0 0 187.308 1.956 10 0 ADAERN O[C@@H]1CC=C=CC[C@@H](O)CC=CC1 308120037 572780222 /nfs/dbraw/zinc/78/02/22/572780222.db2.gz FGFKOEQHUBXULX-PLIMMHFASA-N 0 0 180.247 1.550 10 0 ADAERN CCCC[C@H](O)Cc1csnn1 308119943 572780251 /nfs/dbraw/zinc/78/02/51/572780251.db2.gz OMCIZECJECAGRA-QMMMGPOBSA-N 0 0 186.280 1.632 10 0 ADAERN C/C=C/C=C\COCCCCO 307929463 572780252 /nfs/dbraw/zinc/78/02/52/572780252.db2.gz AVYZNGRXCJDJIV-ZPYFUIHZSA-N 0 0 170.252 1.908 10 0 ADAERN CSCCN(C)C(=O)C(C)(C)F 308119221 572780258 /nfs/dbraw/zinc/78/02/58/572780258.db2.gz ODKPJBUEJLCZGM-UHFFFAOYSA-N 0 0 193.287 1.556 10 0 ADAERN Cn1ccc([C@H](O)[C@H]2C[C@@H]3C[C@@H]3C2)n1 299997565 572780260 /nfs/dbraw/zinc/78/02/60/572780260.db2.gz VCHMMOCNKYQWPL-PKIKSRDPSA-N 0 0 192.262 1.500 10 0 ADAERN CC[C@@H](/C=C\C(=O)OC)[C@@H](C)O 307930311 572780298 /nfs/dbraw/zinc/78/02/98/572780298.db2.gz AJEKBMMTFYYSPS-BWNLKHSUSA-N 0 0 172.224 1.123 10 0 ADAERN CC(C)N(C)C(=O)/C=C\C1CC1 307929895 572780301 /nfs/dbraw/zinc/78/03/01/572780301.db2.gz BJOPGZITXCEQTN-SREVYHEPSA-N 0 0 167.252 1.819 10 0 ADAERN C[C@@]12CC=CC[C@@H]1OC(=O)N2 43761528 572780319 /nfs/dbraw/zinc/78/03/19/572780319.db2.gz QHZYHFLHUWZZKA-POYBYMJQSA-N 0 0 153.181 1.204 10 0 ADAERN CCC(=O)CCCc1csnn1 308119643 572780325 /nfs/dbraw/zinc/78/03/25/572780325.db2.gz OGMHFNCQGVQNEH-UHFFFAOYSA-N 0 0 184.264 1.840 10 0 ADAERN CC(C)(C)SCC(=O)OCCO 308119617 572780332 /nfs/dbraw/zinc/78/03/32/572780332.db2.gz OFZZMTOQTAVEGE-UHFFFAOYSA-N 0 0 192.280 1.054 10 0 ADAERN C=C/C=C/CC[C@@H](N)C(=O)OC 713749942 572780355 /nfs/dbraw/zinc/78/03/55/572780355.db2.gz AAKLKYPRMQCKSB-WTSVBCDHSA-N 0 0 169.224 1.009 10 0 ADAERN C=C/C=C/CC[C@H](N)C(=O)OC 713749946 572780409 /nfs/dbraw/zinc/78/04/09/572780409.db2.gz AAKLKYPRMQCKSB-ZJELKQJVSA-N 0 0 169.224 1.009 10 0 ADAERN CC(C)c1c(N)cnn1CC[NH+](C)C 85654744 572780412 /nfs/dbraw/zinc/78/04/12/572780412.db2.gz ZZFQZYCOONAWGX-UHFFFAOYSA-N 0 0 196.298 1.150 10 0 ADAERN O=C(CCCO)Cc1ccsc1 236482426 572780419 /nfs/dbraw/zinc/78/04/19/572780419.db2.gz DKQRSPGGTCAWQL-UHFFFAOYSA-N 0 0 184.260 1.632 10 0 ADAERN COC/C(C)=C\C[C@@H](O)C[C@H](C)O 308120338 572780435 /nfs/dbraw/zinc/78/04/35/572780435.db2.gz GLBVNBHQSOJXRW-YXCTTXFESA-N 0 0 188.267 1.101 10 0 ADAERN C[C@H]1CC[C@@H]1[N@H+](C)CCC(=O)[O-] 308119134 572780487 /nfs/dbraw/zinc/78/04/87/572780487.db2.gz OAYUZNJIIWNACS-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)[C@@H](F)C(=O)N[C@H](C)CF 308119218 572780525 /nfs/dbraw/zinc/78/05/25/572780525.db2.gz ODILWYJAQMUIQB-RNFRBKRXSA-N 0 0 179.210 1.455 10 0 ADAERN Cn1ccc([C@]2(O)[C@H]3CCC[C@H]32)n1 299995447 572780535 /nfs/dbraw/zinc/78/05/35/572780535.db2.gz OMRQXZIHJBMJKP-DIYOJNKTSA-N 0 0 178.235 1.038 10 0 ADAERN Cc1cc(C)nc(N=[S@@](C)(N)=O)c1 404753201 572780539 /nfs/dbraw/zinc/78/05/39/572780539.db2.gz JEQSBAQAYYKTST-CYBMUJFWSA-N 0 0 199.279 1.301 10 0 ADAERN C=C/C=C\CC[C@H](NN)C(C)(C)OC 713749957 572780571 /nfs/dbraw/zinc/78/05/71/572780571.db2.gz ABTIUHOTXIMQQV-GFVADAIESA-N 0 0 198.310 1.766 10 0 ADAERN C=C/C=C/CC[C@@H](NN)C(C)(C)OC 713749960 572780588 /nfs/dbraw/zinc/78/05/88/572780588.db2.gz ABTIUHOTXIMQQV-VQCYPWCPSA-N 0 0 198.310 1.766 10 0 ADAERN CC(C)/C=C/C(=O)OC[C@H](C)O 308119740 572780640 /nfs/dbraw/zinc/78/06/40/572780640.db2.gz OJTPRRBCTZGXML-ZJELKQJVSA-N 0 0 172.224 1.123 10 0 ADAERN CC[C@@H](Cc1csnn1)[C@H](C)O 308120191 572780686 /nfs/dbraw/zinc/78/06/86/572780686.db2.gz ORXYEPLJRZSQIX-BQBZGAKWSA-N 0 0 186.280 1.488 10 0 ADAERN C/C=C/OC/C=C/CO 141525932 572780744 /nfs/dbraw/zinc/78/07/44/572780744.db2.gz OSYYZQBSPABKQO-RPCHPSCSSA-N 0 0 128.171 1.085 10 0 ADAERN C[C@H](CO)C[C@@H]1CC[C@H](C)O1 299998991 572780762 /nfs/dbraw/zinc/78/07/62/572780762.db2.gz YMTACXFVBRTLCN-CIUDSAMLSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)/C=C/C(=O)OC[C@@H](C)O 308119732 572780785 /nfs/dbraw/zinc/78/07/85/572780785.db2.gz OJTPRRBCTZGXML-WTSVBCDHSA-N 0 0 172.224 1.123 10 0 ADAERN CC(C)[C@H](F)C(=O)N[C@H](C)CF 308119219 572780795 /nfs/dbraw/zinc/78/07/95/572780795.db2.gz ODILWYJAQMUIQB-RQJHMYQMSA-N 0 0 179.210 1.455 10 0 ADAERN COCC[C@@H](O)Cc1ccc(C)cn1 85671139 572783568 /nfs/dbraw/zinc/78/35/68/572783568.db2.gz GHQQLZXIOZRJPK-LLVKDONJSA-N 0 0 195.262 1.330 10 0 ADAERN C[C@@H]1C(=O)N[C@]2(C)C(Cl)=C[C@H]12 43761480 572780885 /nfs/dbraw/zinc/78/08/85/572780885.db2.gz BHGQEWXOETYWBS-UUEMRFSQSA-N 0 0 171.627 1.264 10 0 ADAERN CC(C)/C=C/C(=O)N(C)C1CC1 308119495 572780896 /nfs/dbraw/zinc/78/08/96/572780896.db2.gz OEKMLAFHPSPAKW-QPJJXVBHSA-N 0 0 167.252 1.819 10 0 ADAERN CC(C)c1n[nH]cc1C[NH2+]C1CC1 85654869 572780910 /nfs/dbraw/zinc/78/09/10/572780910.db2.gz WGWFUIYCJHLSBE-UHFFFAOYSA-N 0 0 179.267 1.785 10 0 ADAERN COC(=O)C=CNCCCC1CC1 308119582 572780930 /nfs/dbraw/zinc/78/09/30/572780930.db2.gz ZVWQVGRTPROHEF-VURMDHGXSA-N 0 0 183.251 1.453 10 0 ADAERN CCC[C@H](CO)COCCOC 308120404 572781005 /nfs/dbraw/zinc/78/10/05/572781005.db2.gz PBLDKDUFQCRGMG-SECBINFHSA-N 0 0 176.256 1.058 10 0 ADAERN NC(=O)[C@@H]1C[C@H]1COc1ccccc1 238538320 572781051 /nfs/dbraw/zinc/78/10/51/572781051.db2.gz QGGNQNYQRTXWKF-WCBMZHEXSA-N 0 0 191.230 1.187 10 0 ADAERN CC[C@@H](NN)c1csc(OC)n1 308120366 572781066 /nfs/dbraw/zinc/78/10/66/572781066.db2.gz OZLSYWOAMKPGIE-RXMQYKEDSA-N 0 0 187.268 1.066 10 0 ADAERN CCC[C@@H](CO)COCCOC 308120405 572781069 /nfs/dbraw/zinc/78/10/69/572781069.db2.gz PBLDKDUFQCRGMG-VIFPVBQESA-N 0 0 176.256 1.058 10 0 ADAERN O=C(CCCO)CC1CCOCC1 236481355 572781106 /nfs/dbraw/zinc/78/11/06/572781106.db2.gz LEZRJMFBXDXYTR-UHFFFAOYSA-N 0 0 186.251 1.145 10 0 ADAERN O=C(CCCO)Cc1ccccc1F 236482308 572781145 /nfs/dbraw/zinc/78/11/45/572781145.db2.gz KPANGEMKULTEBU-UHFFFAOYSA-N 0 0 196.221 1.710 10 0 ADAERN CC/C(=C\[C@@]1(O)C=CCCC1)CO 308120043 572781163 /nfs/dbraw/zinc/78/11/63/572781163.db2.gz FGQHJLYLWYRKGD-RJCSOLBVSA-N 0 0 182.263 1.786 10 0 ADAERN O[C@@H]1CC=C=CC[C@H](O)CC=CC1 308120038 572781248 /nfs/dbraw/zinc/78/12/48/572781248.db2.gz FGFKOEQHUBXULX-REJGZBBRSA-N 0 0 180.247 1.550 10 0 ADAERN Cc1ccc(/C=C/[C@H](O)CCO)cc1 238529216 572781272 /nfs/dbraw/zinc/78/12/72/572781272.db2.gz ORVQXAPTLIZALQ-SYTKJHMZSA-N 0 0 192.258 1.752 10 0 ADAERN C[C@@H]1[C@H](O)CC[C@H]1c1ccn(C)n1 299997571 572781361 /nfs/dbraw/zinc/78/13/61/572781361.db2.gz VDFFSKBMHPFOJN-QXFUBDJGSA-N 0 0 180.251 1.295 10 0 ADAERN CCCCN(C1CC1)[S@](C)(=N)=O 404707488 572781333 /nfs/dbraw/zinc/78/13/33/572781333.db2.gz DQFVZFDRVDSVKY-LBPRGKRZSA-N 0 0 190.312 1.842 10 0 ADAERN C[C@@H]1CC[C@H](C[C@H]2CCCNC2=O)O1 299999390 572781348 /nfs/dbraw/zinc/78/13/48/572781348.db2.gz ZMKYWTQGOPLPPO-OPRDCNLKSA-N 0 0 197.278 1.470 10 0 ADAERN CCC[C@@H](O)C[C@H](O)CCCCO 308120347 572781352 /nfs/dbraw/zinc/78/13/52/572781352.db2.gz GNSRVODKYHUVCU-NXEZZACHSA-N 0 0 190.283 1.061 10 0 ADAERN Cn1ccc(C(=O)[C@@H]2[C@H]3CCC[C@H]32)n1 299998657 572781526 /nfs/dbraw/zinc/78/15/26/572781526.db2.gz ZJFDFDXGOKSASG-MBTKJCJQSA-N 0 0 190.246 1.649 10 0 ADAERN Cn1ncc2c3ccccc3c(=O)[nH]c21 238534328 572781497 /nfs/dbraw/zinc/78/14/97/572781497.db2.gz KOXOGFFTVXZNAN-UHFFFAOYSA-N 0 0 199.213 1.415 10 0 ADAERN Cc1nc2nc3ccccc3n2nc1C 238528204 572781529 /nfs/dbraw/zinc/78/15/29/572781529.db2.gz KHKLCSZXSTURDK-UHFFFAOYSA-N 0 0 198.229 1.894 10 0 ADAERN CC[C@H]1S[C@@]1(C)CO 141528979 572781536 /nfs/dbraw/zinc/78/15/36/572781536.db2.gz ROAZXWBNENJDMG-RITPCOANSA-N 0 0 132.228 1.263 10 0 ADAERN Cc1cccc(OCCOC(N)=O)c1 238539443 572781549 /nfs/dbraw/zinc/78/15/49/572781549.db2.gz JIAAAWSXOUAJAP-UHFFFAOYSA-N 0 0 195.218 1.469 10 0 ADAERN CCO[C@H](C)O[C@@H](C)C/C=C\CO 308119624 572781569 /nfs/dbraw/zinc/78/15/69/572781569.db2.gz DBVFTNOLPKAAQK-QEJZFVATSA-N 0 0 188.267 1.713 10 0 ADAERN C[C@]12C3=CC=CC1=CC=C2C(=O)NC=C3 238538882 572781610 /nfs/dbraw/zinc/78/16/10/572781610.db2.gz JYNAYSJVWHQVDJ-CYBMUJFWSA-N 0 0 197.237 1.999 10 0 ADAERN Cn1ccc(C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)n1 299990798 572781771 /nfs/dbraw/zinc/78/17/71/572781771.db2.gz ACKLWRBLBWNTCH-AYMMMOKOSA-N 0 0 190.246 1.649 10 0 ADAERN Cn1ccc([C@@H](O)[C@H]2C[C@@H]3C[C@@H]3C2)n1 299997561 572781663 /nfs/dbraw/zinc/78/16/63/572781663.db2.gz VCHMMOCNKYQWPL-DKIAZLNASA-N 0 0 192.262 1.500 10 0 ADAERN CC(C)[C@H](F)C(=O)N[C@@H](C)CF 308119216 572781728 /nfs/dbraw/zinc/78/17/28/572781728.db2.gz ODILWYJAQMUIQB-BQBZGAKWSA-N 0 0 179.210 1.455 10 0 ADAERN CC(C)/C=C\C(=O)OC[C@H](C)O 308119720 572781782 /nfs/dbraw/zinc/78/17/82/572781782.db2.gz OJTPRRBCTZGXML-LGYSABEFSA-N 0 0 172.224 1.123 10 0 ADAERN CCOC(=O)C(F)(F)SC(C)=O 307932638 572781786 /nfs/dbraw/zinc/78/17/86/572781786.db2.gz YTQRLCNMMHWPSQ-UHFFFAOYSA-N 0 0 198.190 1.422 10 0 ADAERN CC(C)/C=C\C(=O)OC1COC1 308119492 572781808 /nfs/dbraw/zinc/78/18/08/572781808.db2.gz OEHAXJWDHFZZGQ-ARJAWSKDSA-N 0 0 170.208 1.141 10 0 ADAERN CC(C)[C@@H](F)C(=O)N[C@@H](C)CF 308119217 572781850 /nfs/dbraw/zinc/78/18/50/572781850.db2.gz ODILWYJAQMUIQB-NKWVEPMBSA-N 0 0 179.210 1.455 10 0 ADAERN CC(C)/C=C\C(=O)OC[C@@H](C)O 308119726 572781898 /nfs/dbraw/zinc/78/18/98/572781898.db2.gz OJTPRRBCTZGXML-PULIVWKDSA-N 0 0 172.224 1.123 10 0 ADAERN CCC[C@H](O)C[C@H](O)CCCCO 308120348 572781908 /nfs/dbraw/zinc/78/19/08/572781908.db2.gz GNSRVODKYHUVCU-VHSXEESVSA-N 0 0 190.283 1.061 10 0 ADAERN Cn1ccc([C@H](O)[C@@H]2[C@H]3CCC[C@H]32)n1 299994147 572781911 /nfs/dbraw/zinc/78/19/11/572781911.db2.gz LIASSSPJVRLGJL-URPMGSGRSA-N 0 0 192.262 1.500 10 0 ADAERN O=C(CCCO)CCC1CC1 236481395 572781986 /nfs/dbraw/zinc/78/19/86/572781986.db2.gz OXSRQAHMRHRGKK-UHFFFAOYSA-N 0 0 156.225 1.518 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](O)c2ccn(C)n2)O1 299991651 572781989 /nfs/dbraw/zinc/78/19/89/572781989.db2.gz DHFVBXPRZWRPFF-SZEHBUNVSA-N 0 0 196.250 1.021 10 0 ADAERN CC[C@H](C)[C@@]1(C)NNC(=O)[C@H]1CC 714321493 572782019 /nfs/dbraw/zinc/78/20/19/572782019.db2.gz AZPSSDSLABVFKQ-QXFUBDJGSA-N 0 0 184.283 1.452 10 0 ADAERN CC(C)/C=C/C(=O)OC1COC1 308119493 572782086 /nfs/dbraw/zinc/78/20/86/572782086.db2.gz OEHAXJWDHFZZGQ-ONEGZZNKSA-N 0 0 170.208 1.141 10 0 ADAERN CC[C@H](NN)c1csc(OC)n1 308120367 572782088 /nfs/dbraw/zinc/78/20/88/572782088.db2.gz OZLSYWOAMKPGIE-YFKPBYRVSA-N 0 0 187.268 1.066 10 0 ADAERN O=C([O-])/C=C\C[NH2+]CC1CCC1 307931937 572782106 /nfs/dbraw/zinc/78/21/06/572782106.db2.gz DINUTGWQKOOKGQ-DJWKRKHSSA-N 0 0 169.224 1.017 10 0 ADAERN CC[C@H](C)[C@]1(C)NNC(=O)[C@H]1CC 714321494 572782035 /nfs/dbraw/zinc/78/20/35/572782035.db2.gz AZPSSDSLABVFKQ-XKSSXDPKSA-N 0 0 184.283 1.452 10 0 ADAERN OC1(c2cnsc2)CCC1 404994499 572782045 /nfs/dbraw/zinc/78/20/45/572782045.db2.gz KSUKKMYFTXONMK-UHFFFAOYSA-N 0 0 155.222 1.515 10 0 ADAERN CSCCOC(=O)[C@@H](F)C(C)C 307930833 572782120 /nfs/dbraw/zinc/78/21/20/572782120.db2.gz GNYOZZDFXUXFOY-ZETCQYMHSA-N 0 0 194.271 1.887 10 0 ADAERN CSCCOC(=O)[C@H](F)C(C)C 307930830 572782151 /nfs/dbraw/zinc/78/21/51/572782151.db2.gz GNYOZZDFXUXFOY-SSDOTTSWSA-N 0 0 194.271 1.887 10 0 ADAERN O=C(CCCO)Cc1nccs1 236482480 572782162 /nfs/dbraw/zinc/78/21/62/572782162.db2.gz RKVHCKSVMWNBJV-UHFFFAOYSA-N 0 0 185.248 1.027 10 0 ADAERN C=C/C=C\CC[C@@H](N)C(=O)OC 713749940 572782175 /nfs/dbraw/zinc/78/21/75/572782175.db2.gz AAKLKYPRMQCKSB-PULIVWKDSA-N 0 0 169.224 1.009 10 0 ADAERN CC[C@@H]1OC(=O)NC12CC2 141531893 572782180 /nfs/dbraw/zinc/78/21/80/572782180.db2.gz XYUPQZZCVRLQCP-YFKPBYRVSA-N 0 0 141.170 1.037 10 0 ADAERN COC(=O)C1(C)CCC(CO)CC1 141599640 572782185 /nfs/dbraw/zinc/78/21/85/572782185.db2.gz XIFFGUKBXVDZMK-UHFFFAOYSA-N 0 0 186.251 1.348 10 0 ADAERN O=C(CCCO)CCC(F)(F)F 236481383 572782207 /nfs/dbraw/zinc/78/22/07/572782207.db2.gz VVMGJCKRTKFPAW-UHFFFAOYSA-N 0 0 184.157 1.671 10 0 ADAERN C[C@]12C3=CC=CC1=CC(C(N)=O)=C2C=C3 238538826 572782210 /nfs/dbraw/zinc/78/22/10/572782210.db2.gz JSGXUOVZIUYIPY-ZDUSSCGKSA-N 0 0 197.237 1.781 10 0 ADAERN O=C(CCCO)Cc1cncs1 236482450 572782227 /nfs/dbraw/zinc/78/22/27/572782227.db2.gz QRNUGZLAXGAYPA-UHFFFAOYSA-N 0 0 185.248 1.027 10 0 ADAERN Cc1cccc(OC[C@@H](F)CO)c1 238539540 572782238 /nfs/dbraw/zinc/78/22/38/572782238.db2.gz SSZHWJCJYWINMP-VIFPVBQESA-N 0 0 184.210 1.704 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0 171.240 1.407 10 0 ADAERN CN(C)c1ccccc1/C=C/CO 141654004 572792746 /nfs/dbraw/zinc/79/27/46/572792746.db2.gz FGUHGAVIHBETJT-FNORWQNLSA-N 0 0 177.247 1.758 10 0 ADAERN CS[C@H](C)[C@H](C)OC(=O)[C@H](C)O 307935904 572792769 /nfs/dbraw/zinc/79/27/69/572792769.db2.gz OQFDKKAKMXYUCW-LYFYHCNISA-N 0 0 192.280 1.050 10 0 ADAERN COc1ccc(/C=C\CON)cc1F 714549387 572792789 /nfs/dbraw/zinc/79/27/89/572792789.db2.gz BKPVCAUSDJWLLZ-IHWYPQMZSA-N 0 0 197.209 1.738 10 0 ADAERN C/C=C(/C(=O)OC)[C@H](O)C(C)(C)C 308127956 572792816 /nfs/dbraw/zinc/79/28/16/572792816.db2.gz CWSPQBBCPIBJOK-CZEYKFRCSA-N 0 0 186.251 1.513 10 0 ADAERN CC(C)C[C@@H](C)N1CCC(=O)C1=O 49646932 572792829 /nfs/dbraw/zinc/79/28/29/572792829.db2.gz ZILCASZRKGHSMA-MRVPVSSYSA-N 0 0 183.251 1.222 10 0 ADAERN CC1(C)C[C@H]1[NH2+]C/C=C\C(=O)[O-] 307934106 572792837 /nfs/dbraw/zinc/79/28/37/572792837.db2.gz IANQNODHHFPLFP-KFOINNEUSA-N 0 0 169.224 1.015 10 0 ADAERN CCCC[C@](C)(C(=O)[O-])[NH+](C)C 117853177 572792842 /nfs/dbraw/zinc/79/28/42/572792842.db2.gz ONAJZGPEBXNTHZ-SECBINFHSA-N 0 0 173.256 1.582 10 0 ADAERN CC/C(=C\C[NH2+]C1CC1)C(=O)[O-] 307935553 572792878 /nfs/dbraw/zinc/79/28/78/572792878.db2.gz LDEJHHLXXQHCMY-FNORWQNLSA-N 0 0 169.224 1.159 10 0 ADAERN Cc1cc(Cc2coc(N)c2)nn1C 257564374 572793722 /nfs/dbraw/zinc/79/37/22/572793722.db2.gz IMGVQYZDTYXXOT-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN CS[C@H](C)[C@@H](C)OC(=O)[C@@H](C)O 307935902 572792891 /nfs/dbraw/zinc/79/28/91/572792891.db2.gz OQFDKKAKMXYUCW-FSDSQADBSA-N 0 0 192.280 1.050 10 0 ADAERN CN1CC[NH2+][C@@H]2CCc3occc3[C@H]21 250409537 572792898 /nfs/dbraw/zinc/79/28/98/572792898.db2.gz VUVRUEYQUHRVQM-MWLCHTKSSA-N 0 0 192.262 1.171 10 0 ADAERN NC(=O)N1CC[C@@H](c2nccs2)C1 117869953 572792909 /nfs/dbraw/zinc/79/29/09/572792909.db2.gz RRQIBFHMJWDABK-ZCFIWIBFSA-N 0 0 197.263 1.011 10 0 ADAERN C[C@@H](O)/C=C\[C@H](O)c1ccccc1 198654921 572792928 /nfs/dbraw/zinc/79/29/28/572792928.db2.gz YSSADZOOZXJLIM-BUIONYJASA-N 0 0 178.231 1.657 10 0 ADAERN C[C@H](O)/C=C\CCC[C@@H](C)CO 307935457 572792979 /nfs/dbraw/zinc/79/29/79/572792979.db2.gz HNMGBLBKNSZOHR-LZDAAXCASA-N 0 0 172.268 1.722 10 0 ADAERN CC1(C)C[C@@H]1[NH2+]C/C=C\C(=O)[O-] 307934105 572792987 /nfs/dbraw/zinc/79/29/87/572792987.db2.gz IANQNODHHFPLFP-AVALRIAPSA-N 0 0 169.224 1.015 10 0 ADAERN CC[C@H](C)[NH2+]C/C=C(\C)C(=O)[O-] 307935561 572793036 /nfs/dbraw/zinc/79/30/36/572793036.db2.gz LFUFDQQAIPJGDI-IVGLGHLBSA-N 0 0 171.240 1.405 10 0 ADAERN COCCN[C@@H](C)C(F)(F)F 307934353 572793040 /nfs/dbraw/zinc/79/30/40/572793040.db2.gz XCCMNOJXHRBJJQ-YFKPBYRVSA-N 0 0 171.162 1.173 10 0 ADAERN C/C(=C\C[NH2+]CCCC1CC1)C(=O)[O-] 232564003 572793051 /nfs/dbraw/zinc/79/30/51/572793051.db2.gz MYIKINLOEKSJNT-RMKNXTFCSA-N 0 0 197.278 1.797 10 0 ADAERN NC(=O)N1CC[C@H](c2nccs2)C1 117869951 572793081 /nfs/dbraw/zinc/79/30/81/572793081.db2.gz RRQIBFHMJWDABK-LURJTMIESA-N 0 0 197.263 1.011 10 0 ADAERN CC(=O)O[C@H](C)CC/C=C\CO 307936208 572793108 /nfs/dbraw/zinc/79/31/08/572793108.db2.gz IHOGTUIZRYPKET-QIUOEGRZSA-N 0 0 172.224 1.267 10 0 ADAERN CCC[C@H](C)[NH2+]C/C=C\C(=O)[O-] 307936150 572793123 /nfs/dbraw/zinc/79/31/23/572793123.db2.gz MSFABVNVPLNKCA-HORMHSFOSA-N 0 0 171.240 1.405 10 0 ADAERN CCSCCC(=O)NCC(C)C 307934166 572793149 /nfs/dbraw/zinc/79/31/49/572793149.db2.gz LAMSCEKQIJUQIT-UHFFFAOYSA-N 0 0 189.324 1.902 10 0 ADAERN C[C@H]1CCCC[C@@H]1N1CCC(=O)C1=O 49646868 572793158 /nfs/dbraw/zinc/79/31/58/572793158.db2.gz QKMSPYMDOLBSFT-IUCAKERBSA-N 0 0 195.262 1.367 10 0 ADAERN Cc1cnc(Cc2ccc(N)o2)o1 257564312 572793734 /nfs/dbraw/zinc/79/37/34/572793734.db2.gz GGOHJRRAWBVXJT-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN CC1CC([NH2+]C/C=C\C(=O)[O-])C1 307935179 572793221 /nfs/dbraw/zinc/79/32/21/572793221.db2.gz KCZVQSDVZLHBRP-IHWYPQMZSA-N 0 0 169.224 1.015 10 0 ADAERN Nc1cc(Cc2cn[nH]c2)co1 257564387 572793287 /nfs/dbraw/zinc/79/32/87/572793287.db2.gz IQGALHCTTLWUKW-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN Cc1cn(C)nc1Cc1coc(N)c1 257564282 572793320 /nfs/dbraw/zinc/79/33/20/572793320.db2.gz FKWXMCBSOQLCOA-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN Cc1n[nH]c(C)c1Cc1ccoc1N 257563924 572793327 /nfs/dbraw/zinc/79/33/27/572793327.db2.gz BADSOILETLUDJU-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN CC[C@H](C)[C@@H](C)N1CCC(=O)C1=O 49646993 572793341 /nfs/dbraw/zinc/79/33/41/572793341.db2.gz LTSZJPPULICOTL-JGVFFNPUSA-N 0 0 183.251 1.222 10 0 ADAERN C/C=C/[C@@H](O)Cc1ccco1 141651944 572793355 /nfs/dbraw/zinc/79/33/55/572793355.db2.gz INZRBEWGWWBVSB-BYDTYLDUSA-N 0 0 152.193 1.759 10 0 ADAERN Nc1ccc(Cc2cc[nH]n2)s1 257564182 572793376 /nfs/dbraw/zinc/79/33/76/572793376.db2.gz ZGZSWVLADULSSY-UHFFFAOYSA-N 0 0 179.248 1.644 10 0 ADAERN Nc1occc1Cc1cc[nH]n1 257564537 572793383 /nfs/dbraw/zinc/79/33/83/572793383.db2.gz KFIKBTNBBMRGQU-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN CS[C@H](C)[C@H](C)OC(=O)[C@@H](C)O 307935901 572793388 /nfs/dbraw/zinc/79/33/88/572793388.db2.gz OQFDKKAKMXYUCW-DSYKOEDSSA-N 0 0 192.280 1.050 10 0 ADAERN COCCON[C@@H]1C[C@@H](C)[C@@H]1C 307934229 572793392 /nfs/dbraw/zinc/79/33/92/572793392.db2.gz LMRGLGGLPXNWFZ-HRDYMLBCSA-N 0 0 173.256 1.199 10 0 ADAERN Nc1cc(Cc2ncco2)cs1 257563768 572793426 /nfs/dbraw/zinc/79/34/26/572793426.db2.gz MIOSOMBBRSMVGH-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cc1nnsc1Cc1coc(N)c1 257564458 572793469 /nfs/dbraw/zinc/79/34/69/572793469.db2.gz KDHAHEDJVPOHSB-UHFFFAOYSA-N 0 0 195.247 1.613 10 0 ADAERN Cc1n[nH]cc1Cc1ccsc1N 257563464 572793479 /nfs/dbraw/zinc/79/34/79/572793479.db2.gz DAPNHDJVRFLDFP-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN O=C([O-])/C=C\C[NH2+]C1CCCC1 307934503 572793497 /nfs/dbraw/zinc/79/34/97/572793497.db2.gz IUZOOECNTQXLBA-UTCJRWHESA-N 0 0 169.224 1.159 10 0 ADAERN COCCN[C@H](C)C(F)(F)F 307934351 572793500 /nfs/dbraw/zinc/79/35/00/572793500.db2.gz XCCMNOJXHRBJJQ-RXMQYKEDSA-N 0 0 171.162 1.173 10 0 ADAERN Cc1cnc(Cc2ccoc2N)o1 257564271 572793521 /nfs/dbraw/zinc/79/35/21/572793521.db2.gz DXWOLYZCVCTTTO-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN CCSCCN[C@H](C)C(F)F 307935979 572793531 /nfs/dbraw/zinc/79/35/31/572793531.db2.gz YETUQUNYEOVJDO-ZCFIWIBFSA-N 0 0 183.267 1.983 10 0 ADAERN CCCCC/C=C\[C@H](O)CCO 307935591 572793568 /nfs/dbraw/zinc/79/35/68/572793568.db2.gz LPKUBHPLQSYRIO-GFVADAIESA-N 0 0 172.268 1.866 10 0 ADAERN CCOC(=O)C(=O)[C@H](C)C(C)C 307934122 572793604 /nfs/dbraw/zinc/79/36/04/572793604.db2.gz IGWXKQAWBIWCCK-SSDOTTSWSA-N 0 0 172.224 1.411 10 0 ADAERN CSCCOC(=O)C1(C)CC1 307933641 572793645 /nfs/dbraw/zinc/79/36/45/572793645.db2.gz WVEGTSCNLZVAGR-UHFFFAOYSA-N 0 0 174.265 1.693 10 0 ADAERN CN1CC[NH2+][C@H]2CCc3occc3[C@H]21 250409531 572793657 /nfs/dbraw/zinc/79/36/57/572793657.db2.gz VUVRUEYQUHRVQM-GXSJLCMTSA-N 0 0 192.262 1.171 10 0 ADAERN CCONC(=S)N[C@@H](C)C1CC1 307934192 572793674 /nfs/dbraw/zinc/79/36/74/572793674.db2.gz LFPCLBAHMKLATN-LURJTMIESA-N 0 0 188.296 1.201 10 0 ADAERN COC(=O)/C=C\Sc1ncco1 307935420 572793678 /nfs/dbraw/zinc/79/36/78/572793678.db2.gz HIGZKRGFHFYWOV-DJWKRKHSSA-N 0 0 185.204 1.453 10 0 ADAERN CS[C@@H](C)[C@H](C)OC(=O)[C@@H](C)O 307935909 572793700 /nfs/dbraw/zinc/79/37/00/572793700.db2.gz OQFDKKAKMXYUCW-VQVTYTSYSA-N 0 0 192.280 1.050 10 0 ADAERN COCCON[C@@H]1C[C@H](C)[C@H]1C 307934228 572793710 /nfs/dbraw/zinc/79/37/10/572793710.db2.gz LMRGLGGLPXNWFZ-DJLDLDEBSA-N 0 0 173.256 1.199 10 0 ADAERN Nc1sccc1Cc1cnco1 257564194 572794573 /nfs/dbraw/zinc/79/45/73/572794573.db2.gz ZSFIQDLDXLJQIU-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN CC[C@H](C)[C@@H](O)Cc1csnn1 308128497 572794706 /nfs/dbraw/zinc/79/47/06/572794706.db2.gz WITXLIWGRKIWGS-XPUUQOCRSA-N 0 0 186.280 1.488 10 0 ADAERN Nc1cc(Cc2cnco2)cs1 257563522 572794794 /nfs/dbraw/zinc/79/47/94/572794794.db2.gz HAQZQGKFOXUHOP-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cn1cc(Cc2ccoc2N)cn1 257563944 572794103 /nfs/dbraw/zinc/79/41/03/572794103.db2.gz BRHZVBOQCCYGAK-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN CS[C@@H](C)[C@@H](C)OC(=O)[C@H](C)O 307935911 572794126 /nfs/dbraw/zinc/79/41/26/572794126.db2.gz OQFDKKAKMXYUCW-XVMARJQXSA-N 0 0 192.280 1.050 10 0 ADAERN Nc1ccc(Cc2cc[nH]n2)o1 257564635 572794187 /nfs/dbraw/zinc/79/41/87/572794187.db2.gz MVBHFHFDKLHWIX-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN CO[C@H]1CCC[C@H](n2nccc2N)C1 234849711 572794188 /nfs/dbraw/zinc/79/41/88/572794188.db2.gz GDYFBHKZZQTIKJ-IUCAKERBSA-N 0 0 195.266 1.595 10 0 ADAERN Cc1cc(Cc2ccsc2N)n[nH]1 257563618 572794200 /nfs/dbraw/zinc/79/42/00/572794200.db2.gz IOAADMZOBZACPP-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN Cc1nnsc1Cc1ccoc1N 257564576 572794212 /nfs/dbraw/zinc/79/42/12/572794212.db2.gz LIJIXBAHNPZXFI-UHFFFAOYSA-N 0 0 195.247 1.613 10 0 ADAERN Nc1sccc1Cc1ccon1 257563627 572794258 /nfs/dbraw/zinc/79/42/58/572794258.db2.gz IUYCUHILMXDRPC-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cc1c[nH]nc1Cc1ccoc1N 257564428 572794337 /nfs/dbraw/zinc/79/43/37/572794337.db2.gz JLJKMINOHFJJDB-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN NC(=O)OCc1nc2ccccc2[nH]1 141650911 572794355 /nfs/dbraw/zinc/79/43/55/572794355.db2.gz LJWJLKZVZFPVGZ-UHFFFAOYSA-N 0 0 191.190 1.158 10 0 ADAERN O=Cc1c(F)cccc1OCCO 236511010 572794372 /nfs/dbraw/zinc/79/43/72/572794372.db2.gz VHXVZJWDDOBMRU-UHFFFAOYSA-N 0 0 184.166 1.009 10 0 ADAERN Cc1cc(C)c2c(c1)SC(=O)[C@@H]2N 257564597 572794375 /nfs/dbraw/zinc/79/43/75/572794375.db2.gz MDCIWDNQRPNKKU-SECBINFHSA-N 0 0 193.271 1.936 10 0 ADAERN COCCON[C@@H]1C[C@H](C)[C@@H]1C 307934231 572794376 /nfs/dbraw/zinc/79/43/76/572794376.db2.gz LMRGLGGLPXNWFZ-XHNCKOQMSA-N 0 0 173.256 1.199 10 0 ADAERN COc1c(CNN)ccc(C)c1C 234845306 572794380 /nfs/dbraw/zinc/79/43/80/572794380.db2.gz LNJZWKSSPWKOKJ-UHFFFAOYSA-N 0 0 180.251 1.275 10 0 ADAERN Nc1sccc1Cc1cc[nH]n1 257563764 572794384 /nfs/dbraw/zinc/79/43/84/572794384.db2.gz MGLNGFOMWPCGRB-UHFFFAOYSA-N 0 0 179.248 1.644 10 0 ADAERN Cc1cc(Cc2coc(N)c2)n[nH]1 257564589 572795142 /nfs/dbraw/zinc/79/51/42/572795142.db2.gz LVYHCJQRPOMZTD-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN CCONC(=S)N[C@H](C)C1CC1 307934193 572794408 /nfs/dbraw/zinc/79/44/08/572794408.db2.gz LFPCLBAHMKLATN-ZCFIWIBFSA-N 0 0 188.296 1.201 10 0 ADAERN CCCc1ccc(N)o1 257564599 572794428 /nfs/dbraw/zinc/79/44/28/572794428.db2.gz MDHQXYHNKBOJLR-UHFFFAOYSA-N 0 0 125.171 1.814 10 0 ADAERN C=C/C=C/CC[C@@H]1[C@H](O)CO[C@H]1C 713756872 572794440 /nfs/dbraw/zinc/79/44/40/572794440.db2.gz CODSSYHQYIGZBM-UHRPRCGVSA-N 0 0 182.263 1.905 10 0 ADAERN CS[C@H](C)[C@@H](C)OC(=O)[C@H](C)O 307935908 572794441 /nfs/dbraw/zinc/79/44/41/572794441.db2.gz OQFDKKAKMXYUCW-RRKCRQDMSA-N 0 0 192.280 1.050 10 0 ADAERN CS[C@@H](C)[C@@H](C)OC(=O)[C@@H](C)O 307935906 572794483 /nfs/dbraw/zinc/79/44/83/572794483.db2.gz OQFDKKAKMXYUCW-QYNIQEEDSA-N 0 0 192.280 1.050 10 0 ADAERN Cc1nn(C)cc1Cc1ccc(N)o1 257564316 572795201 /nfs/dbraw/zinc/79/52/01/572795201.db2.gz GKBDXLLYMOTSDR-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN Nc1occc1Cc1ccon1 257564651 572794525 /nfs/dbraw/zinc/79/45/25/572794525.db2.gz NOGVDMFUQCXYDF-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Nc1ccc(Cc2cn[nH]c2)s1 257563436 572794539 /nfs/dbraw/zinc/79/45/39/572794539.db2.gz BOVMRHMGLNMONQ-UHFFFAOYSA-N 0 0 179.248 1.644 10 0 ADAERN CC/C(=C/C(=O)OC)CCCO 307936147 572794569 /nfs/dbraw/zinc/79/45/69/572794569.db2.gz MRCXPYDAOYZGDH-FPLPWBNLSA-N 0 0 172.224 1.268 10 0 ADAERN C[C@@H]1CCC[C@H](N2CCC(=O)C2=O)C1 49646926 572795205 /nfs/dbraw/zinc/79/52/05/572795205.db2.gz DOVHTUXFIUZSKV-BDAKNGLRSA-N 0 0 195.262 1.367 10 0 ADAERN Nc1cc(Cc2ccccn2)co1 257564314 572794586 /nfs/dbraw/zinc/79/45/86/572794586.db2.gz GIGKNJIEFASVRB-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN C/C=C\[C@@H](O)CC[C@@H](O)/C=C\C 307934551 572794608 /nfs/dbraw/zinc/79/46/08/572794608.db2.gz JDHGHUNYQRSHQB-LNYFIEMMSA-N 0 0 170.252 1.641 10 0 ADAERN Nc1cc(Cc2ccon2)cs1 257563654 572794670 /nfs/dbraw/zinc/79/46/70/572794670.db2.gz KKYHGFNZPQHKPI-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN C/C=C(C)/C=C\C(=O)NCC 307935795 572794683 /nfs/dbraw/zinc/79/46/83/572794683.db2.gz XZILFBJTVPZVEZ-AKAREZBESA-N 0 0 153.225 1.645 10 0 ADAERN C[C@@H](c1ccco1)N1CCC(=O)C1=O 49646955 572794744 /nfs/dbraw/zinc/79/47/44/572794744.db2.gz LUBMRPJEWVSICJ-ZETCQYMHSA-N 0 0 193.202 1.142 10 0 ADAERN C/C=C\COc1ccc(N)nn1 307935893 572794750 /nfs/dbraw/zinc/79/47/50/572794750.db2.gz SRYOWKJMUAHIHQ-IHWYPQMZSA-N 0 0 165.196 1.014 10 0 ADAERN C[C@@H]1CCCC[C@H]1N1CCC(=O)C1=O 49646869 572794751 /nfs/dbraw/zinc/79/47/51/572794751.db2.gz QKMSPYMDOLBSFT-RKDXNWHRSA-N 0 0 195.262 1.367 10 0 ADAERN C/C=C(/C)[C@@H](O)[C@H](O)/C(C)=C\C 307935500 572794759 /nfs/dbraw/zinc/79/47/59/572794759.db2.gz HWHGYTZXQDWYMB-USHGEJHSSA-N 0 0 170.252 1.641 10 0 ADAERN Cc1c[nH]nc1Cc1ccsc1N 257564152 572794781 /nfs/dbraw/zinc/79/47/81/572794781.db2.gz XWQVGAUMONZAQF-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN Cc1nocc1Cc1coc(N)c1 257563920 572794813 /nfs/dbraw/zinc/79/48/13/572794813.db2.gz AXXGOVIMEZXSHQ-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN CSc1cncnc1Cl 141654072 572794842 /nfs/dbraw/zinc/79/48/42/572794842.db2.gz OCTPCXCOQJZUTH-UHFFFAOYSA-N 0 0 160.629 1.852 10 0 ADAERN Nc1occc1Cc1cc[nH]c1 257564419 572794848 /nfs/dbraw/zinc/79/48/48/572794848.db2.gz JHYAWQAINHQWDZ-UHFFFAOYSA-N 0 0 162.192 1.781 10 0 ADAERN COc1ccc(C(=O)[C@@H](C)O)c(F)c1 234849178 572794870 /nfs/dbraw/zinc/79/48/70/572794870.db2.gz ORXMVJFAMOMLMD-ZCFIWIBFSA-N 0 0 198.193 1.398 10 0 ADAERN Cn1cc(Cc2csc(N)c2)cn1 257564188 572794939 /nfs/dbraw/zinc/79/49/39/572794939.db2.gz ZNIDGQKHFPWTCQ-UHFFFAOYSA-N 0 0 193.275 1.655 10 0 ADAERN Cc1conc1Cc1ccoc1N 257564598 572794944 /nfs/dbraw/zinc/79/49/44/572794944.db2.gz MDDLGJPBJMUXHS-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN OCCc1ccc(OCCF)cc1 236503587 572794948 /nfs/dbraw/zinc/79/49/48/572794948.db2.gz RNJSHDNGBRJKRP-UHFFFAOYSA-N 0 0 184.210 1.570 10 0 ADAERN Nc1ccc(Cc2cncs2)o1 257564268 572794958 /nfs/dbraw/zinc/79/49/58/572794958.db2.gz DTQWRJJHXICGKN-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Nc1cc(Cc2cnoc2)cs1 257563657 572794963 /nfs/dbraw/zinc/79/49/63/572794963.db2.gz KSPDHXSHIUSCKG-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Nc1cc(Cc2cccnc2)co1 257564370 572794970 /nfs/dbraw/zinc/79/49/70/572794970.db2.gz IKKBIMHGWLWGFD-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN CCC[C@@](C)(O)c1cn(CC)cn1 308128484 572794998 /nfs/dbraw/zinc/79/49/98/572794998.db2.gz ATMGMEVRCDDZTL-SNVBAGLBSA-N 0 0 182.267 1.911 10 0 ADAERN OCCc1ccccc1OCCCF 236504847 572795017 /nfs/dbraw/zinc/79/50/17/572795017.db2.gz KAVLKJXXPVRSKI-UHFFFAOYSA-N 0 0 198.237 1.960 10 0 ADAERN Cc1c(Cc2coc(N)c2)cnn1C 257564583 572795030 /nfs/dbraw/zinc/79/50/30/572795030.db2.gz LOZFFBMMSRFVCT-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN Cc1ncoc1Cc1ccoc1N 257564284 572795096 /nfs/dbraw/zinc/79/50/96/572795096.db2.gz FLXDLVBXYMELIT-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Nc1ccc(Cc2ncco2)s1 257563616 572795108 /nfs/dbraw/zinc/79/51/08/572795108.db2.gz ILQXIQOPEVLZFV-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cc1c[nH]nc1Cc1csc(N)c1 257563410 572795114 /nfs/dbraw/zinc/79/51/14/572795114.db2.gz ALSQTXCPVMQSQX-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN N[C@H]1C(=O)Sc2ccsc21 257564607 572795197 /nfs/dbraw/zinc/79/51/97/572795197.db2.gz MHMCWLYYDQCDPK-SCSAIBSYSA-N 0 0 171.246 1.380 10 0 ADAERN CC[C@@H](C)[C@H](C)N1CCC(=O)C1=O 49646994 572795156 /nfs/dbraw/zinc/79/51/56/572795156.db2.gz LTSZJPPULICOTL-SFYZADRCSA-N 0 0 183.251 1.222 10 0 ADAERN C[C@H](c1ccco1)N1CCC(=O)C1=O 49646956 572795161 /nfs/dbraw/zinc/79/51/61/572795161.db2.gz LUBMRPJEWVSICJ-SSDOTTSWSA-N 0 0 193.202 1.142 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N1CCC(=O)C1=O 49646867 572795567 /nfs/dbraw/zinc/79/55/67/572795567.db2.gz QKMSPYMDOLBSFT-BDAKNGLRSA-N 0 0 195.262 1.367 10 0 ADAERN Nc1cc(Cc2cc[nH]n2)cs1 257563475 572795607 /nfs/dbraw/zinc/79/56/07/572795607.db2.gz DNYOSGIJQQNJJE-UHFFFAOYSA-N 0 0 179.248 1.644 10 0 ADAERN CC[C@@H](C(C)C)N1CCC(=O)C1=O 49647007 572795608 /nfs/dbraw/zinc/79/56/08/572795608.db2.gz RCBLLAKJEBCPCD-QMMMGPOBSA-N 0 0 183.251 1.222 10 0 ADAERN O=C(OC/C=C/Cl)c1cocn1 307937268 572795761 /nfs/dbraw/zinc/79/57/61/572795761.db2.gz QPZYKFITBPNXPE-OWOJBTEDSA-N 0 0 187.582 1.584 10 0 ADAERN Nc1cc(Cc2cncs2)co1 257564317 572795623 /nfs/dbraw/zinc/79/56/23/572795623.db2.gz GLKHEFVVECWFEI-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN COC(=O)C=CN[C@@H](C)C1CC1 307936390 572795627 /nfs/dbraw/zinc/79/56/27/572795627.db2.gz NATPCFDXDVAHQG-RBSILHGTSA-N 0 0 169.224 1.061 10 0 ADAERN Nc1ccc(Cc2cnco2)s1 257563672 572795643 /nfs/dbraw/zinc/79/56/43/572795643.db2.gz LMQXGWSQHRFASX-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN O=C(OC/C=C\Cl)c1cocn1 307937269 572795651 /nfs/dbraw/zinc/79/56/51/572795651.db2.gz QPZYKFITBPNXPE-UPHRSURJSA-N 0 0 187.582 1.584 10 0 ADAERN Cn1cc(Cc2ccc(N)s2)cn1 257563480 572795702 /nfs/dbraw/zinc/79/57/02/572795702.db2.gz DTKPCSXHTTUUTO-UHFFFAOYSA-N 0 0 193.275 1.655 10 0 ADAERN CC(C)/C=C\C[C@H]([NH3+])C(=O)[O-] 714552099 572795766 /nfs/dbraw/zinc/79/57/66/572795766.db2.gz RSNDTPAPSCMNIC-AVALRIAPSA-N 0 0 157.213 1.001 10 0 ADAERN COCCCCCN(C)C#N 307936709 572795753 /nfs/dbraw/zinc/79/57/53/572795753.db2.gz YOYAKAHQMLVBFF-UHFFFAOYSA-N 0 0 156.229 1.216 10 0 ADAERN Cc1cc(C)c2c(c1)[C@H](N)C(=O)S2 257564588 572795757 /nfs/dbraw/zinc/79/57/57/572795757.db2.gz LVSMTUHYPUDYAD-QMMMGPOBSA-N 0 0 193.271 1.936 10 0 ADAERN COC(=O)C=CN[C@H](C)C1CC1 307936388 572795862 /nfs/dbraw/zinc/79/58/62/572795862.db2.gz NATPCFDXDVAHQG-KXTMECRCSA-N 0 0 169.224 1.061 10 0 ADAERN CCCC[C@H]1OC(=O)C[C@@H]1CO 307937112 572795915 /nfs/dbraw/zinc/79/59/15/572795915.db2.gz ADOZGOVRFAGRJP-HTQZYQBOSA-N 0 0 172.224 1.101 10 0 ADAERN Cn1cc(Cc2ccsc2N)cn1 257564020 572795917 /nfs/dbraw/zinc/79/59/17/572795917.db2.gz UDPSEBXCPFKQCS-UHFFFAOYSA-N 0 0 193.275 1.655 10 0 ADAERN Cc1n[nH]cc1Cc1ccoc1N 257564619 572795922 /nfs/dbraw/zinc/79/59/22/572795922.db2.gz MPFXCBXLDAODCQ-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN CCC(=O)C1=C(O)CCSC1 141695602 572795932 /nfs/dbraw/zinc/79/59/32/572795932.db2.gz YHRVERGRYVGSPB-ZCFIWIBFSA-N 0 0 172.249 1.288 10 0 ADAERN Cc1cnc(Cc2coc(N)c2)o1 257564421 572795963 /nfs/dbraw/zinc/79/59/63/572795963.db2.gz JIBJDFKQOQZDLK-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Cc1c[nH]nc1Cc1ccc(N)s1 257563607 572795972 /nfs/dbraw/zinc/79/59/72/572795972.db2.gz HXFMORKANQPDGU-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN CCC[C@H]1CSCC[C@H]1O 141667188 572795976 /nfs/dbraw/zinc/79/59/76/572795976.db2.gz WVZYRVLQRHKKRG-JGVFFNPUSA-N 0 0 160.282 1.901 10 0 ADAERN Cn1ccc(Cc2ccoc2N)c1 257564355 572796016 /nfs/dbraw/zinc/79/60/16/572796016.db2.gz HTHVPIACQVOZGQ-UHFFFAOYSA-N 0 0 176.219 1.791 10 0 ADAERN Cc1cc(Cc2csc(N)c2)n[nH]1 257563772 572796021 /nfs/dbraw/zinc/79/60/21/572796021.db2.gz MMBJVOKWLPYBEC-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN CCC(=O)[C@](C)(CC)N1CCOCC1 85749789 572796033 /nfs/dbraw/zinc/79/60/33/572796033.db2.gz KAXWCKRWUAYLCB-NSHDSACASA-N 0 0 199.294 1.466 10 0 ADAERN Nc1occc1Cc1cnoc1 257564341 572796080 /nfs/dbraw/zinc/79/60/80/572796080.db2.gz HGZWUMLUTNRSAM-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN CC[C@H](C)[C@H](C)N1CCC(=O)C1=O 49646995 572796056 /nfs/dbraw/zinc/79/60/56/572796056.db2.gz LTSZJPPULICOTL-YUMQZZPRSA-N 0 0 183.251 1.222 10 0 ADAERN CO[C@H]1CCCC[C@H]1n1nccc1N 234846592 572796111 /nfs/dbraw/zinc/79/61/11/572796111.db2.gz JEUDIWQNLQJUFL-BDAKNGLRSA-N 0 0 195.266 1.595 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@]2(C)CO2)C(=O)C1 141658929 572796189 /nfs/dbraw/zinc/79/61/89/572796189.db2.gz JBFLYBPXZGMOHN-NQMVMOMDSA-N 0 0 168.236 1.781 10 0 ADAERN Cn1cccc1-c1ccc(N)o1 257564444 572796106 /nfs/dbraw/zinc/79/61/06/572796106.db2.gz KAHVBIUCELVCHK-UHFFFAOYSA-N 0 0 162.192 1.867 10 0 ADAERN CCCC[C@@H]1OC(=O)C[C@H]1CO 307937115 572796108 /nfs/dbraw/zinc/79/61/08/572796108.db2.gz ADOZGOVRFAGRJP-YUMQZZPRSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@H]1CCCC[C@H]1N1CCC(=O)C1=O 49646870 572796144 /nfs/dbraw/zinc/79/61/44/572796144.db2.gz QKMSPYMDOLBSFT-DTWKUNHWSA-N 0 0 195.262 1.367 10 0 ADAERN Nc1ccc(CC(F)(F)F)[nH]1 257567179 572803165 /nfs/dbraw/zinc/80/31/65/572803165.db2.gz RHDALTQBBZFYSJ-UHFFFAOYSA-N 0 0 164.130 1.702 10 0 ADAERN CCCCCn1cnc(C=O)c1 117887823 572796229 /nfs/dbraw/zinc/79/62/29/572796229.db2.gz BLYYCGSHJKJKPN-UHFFFAOYSA-N 0 0 166.224 1.886 10 0 ADAERN CCC(=O)[C@@](C)(CC)N1CCOCC1 85749788 572796303 /nfs/dbraw/zinc/79/63/03/572796303.db2.gz KAXWCKRWUAYLCB-LLVKDONJSA-N 0 0 199.294 1.466 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]C(C)(C)C 307940040 572803374 /nfs/dbraw/zinc/80/33/74/572803374.db2.gz VZBLPEVABWXKSL-ALCCZGGFSA-N 0 0 171.240 1.405 10 0 ADAERN OCCCCNc1ccnc(F)c1 236506458 572796352 /nfs/dbraw/zinc/79/63/52/572796352.db2.gz YMQMSFXCYBVNOS-UHFFFAOYSA-N 0 0 184.214 1.405 10 0 ADAERN CC[C@@H](CC(=O)N1CCC1)SC 307940673 572796374 /nfs/dbraw/zinc/79/63/74/572796374.db2.gz BWMFBWCWCNMZJF-QMMMGPOBSA-N 0 0 187.308 1.750 10 0 ADAERN CC[C@H](C)[C@H](CO)NCC(F)F 307947379 572804395 /nfs/dbraw/zinc/80/43/95/572804395.db2.gz KXBSTDWUISIXJJ-BQBZGAKWSA-N 0 0 181.226 1.248 10 0 ADAERN CCC(=O)[C@@]1(C)C(=O)OC[C@H]1C 141685541 572796448 /nfs/dbraw/zinc/79/64/48/572796448.db2.gz FCPCBUUOUXPKEH-MUWHJKNJSA-N 0 0 170.208 1.165 10 0 ADAERN CCC/C=C\C(=O)N1CCSC1 307937413 572796473 /nfs/dbraw/zinc/79/64/73/572796473.db2.gz AINCCECZNHAQCB-PLNGDYQASA-N 0 0 185.292 1.876 10 0 ADAERN C[C@H](O)CCC[C@H]1CCO[C@H](C)O1 257496768 572797385 /nfs/dbraw/zinc/79/73/85/572797385.db2.gz NSZRASDFTIVBDT-GUBZILKMSA-N 0 0 188.267 1.689 10 0 ADAERN CCOC(=O)/C=C\[C@@H](CC)CO 307936750 572796525 /nfs/dbraw/zinc/79/65/25/572796525.db2.gz JEALQLHFMLGHPZ-RPSMYOMKSA-N 0 0 172.224 1.124 10 0 ADAERN C/C(=C\C[NH2+][C@@H]1C[C@@H]1C)C(=O)[O-] 307936409 572796537 /nfs/dbraw/zinc/79/65/37/572796537.db2.gz NDZQIYDYYSRSOT-VUVOCEGMSA-N 0 0 169.224 1.015 10 0 ADAERN CCOC(=O)/C=C\[C@H](CC)CO 307936751 572796545 /nfs/dbraw/zinc/79/65/45/572796545.db2.gz JEALQLHFMLGHPZ-SLGIHZDVSA-N 0 0 172.224 1.124 10 0 ADAERN OCCCCCCNc1ccncn1 236501536 572796574 /nfs/dbraw/zinc/79/65/74/572796574.db2.gz BUPWDCAOAGVERR-UHFFFAOYSA-N 0 0 195.266 1.441 10 0 ADAERN CCC/C=C/C(=O)N1CCSC1 307937415 572796584 /nfs/dbraw/zinc/79/65/84/572796584.db2.gz AINCCECZNHAQCB-SNAWJCMRSA-N 0 0 185.292 1.876 10 0 ADAERN CCCC1=CC[C@@H](O)C1 141697813 572796657 /nfs/dbraw/zinc/79/66/57/572796657.db2.gz UCCOJZSZMABMQX-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@@H]1CC[C@H]([C@@]2(C)CO2)C(=O)C1 141658561 572796693 /nfs/dbraw/zinc/79/66/93/572796693.db2.gz JBFLYBPXZGMOHN-KHQFGBGNSA-N 0 0 168.236 1.781 10 0 ADAERN Cn1c(N)ccc1-c1ccc[nH]1 257564685 572796709 /nfs/dbraw/zinc/79/67/09/572796709.db2.gz OQPQMFSAFJSOAB-UHFFFAOYSA-N 0 0 161.208 1.602 10 0 ADAERN CONCc1ccc2ocnc2c1 75067729 572797938 /nfs/dbraw/zinc/79/79/38/572797938.db2.gz GVRCEPNCVQNDSK-UHFFFAOYSA-N 0 0 178.191 1.479 10 0 ADAERN Nc1cccc([C@@H](O)c2ccc[nH]2)c1 141659031 572796725 /nfs/dbraw/zinc/79/67/25/572796725.db2.gz NHMQVENGDRMFKV-LLVKDONJSA-N 0 0 188.230 1.679 10 0 ADAERN Nc1ccc(-c2ccco2)[nH]1 257564708 572796738 /nfs/dbraw/zinc/79/67/38/572796738.db2.gz PEXFFQNISAGEHC-UHFFFAOYSA-N 0 0 148.165 1.857 10 0 ADAERN CC(=O)[C@H](C)OC(=O)C1CCC1 307940634 572796744 /nfs/dbraw/zinc/79/67/44/572796744.db2.gz BSZPSLSGQJIBMS-ZETCQYMHSA-N 0 0 170.208 1.307 10 0 ADAERN C[C@@H]1CCC[C@@H](N2CCC(=O)C2=O)C1 49646928 572796837 /nfs/dbraw/zinc/79/68/37/572796837.db2.gz DOVHTUXFIUZSKV-RKDXNWHRSA-N 0 0 195.262 1.367 10 0 ADAERN Cc1cc(Cc2coc(N)c2)no1 257564999 572796848 /nfs/dbraw/zinc/79/68/48/572796848.db2.gz VSGXHGXHHSWQQI-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Cc1nocc1Cc1ccoc1N 257564996 572796854 /nfs/dbraw/zinc/79/68/54/572796854.db2.gz VPYNIALJOMGHIJ-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN COC(=O)C=CNC1(C)CCC1 307936406 572796862 /nfs/dbraw/zinc/79/68/62/572796862.db2.gz NDVXKAVYJHNZAE-DAXSKMNVSA-N 0 0 169.224 1.205 10 0 ADAERN CCC[C@@H](F)C(C)=O 141679697 572796888 /nfs/dbraw/zinc/79/68/88/572796888.db2.gz YNUOORLDRNYLCE-ZCFIWIBFSA-N 0 0 118.151 1.714 10 0 ADAERN CCC/C=C/C(=O)N1CC(F)C1 307937427 572796896 /nfs/dbraw/zinc/79/68/96/572796896.db2.gz AIUPXNCSOJPBGS-SNAWJCMRSA-N 0 0 171.215 1.523 10 0 ADAERN Nc1ccc(-c2ccc[nH]2)[nH]1 257565151 572796954 /nfs/dbraw/zinc/79/69/54/572796954.db2.gz XIXMKDPJNTYMDT-UHFFFAOYSA-N 0 0 147.181 1.592 10 0 ADAERN CC1CCC(N2CCC(=O)C2=O)CC1 49646877 572796939 /nfs/dbraw/zinc/79/69/39/572796939.db2.gz VMEYPLNSBFYEPQ-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN C/C=C\C(=O)NCCCC1CC1 307936829 572796947 /nfs/dbraw/zinc/79/69/47/572796947.db2.gz UVYLBONXXSWZMX-RQOWECAXSA-N 0 0 167.252 1.869 10 0 ADAERN CCC(CC)NS(=O)(=O)CCF 307937404 572796951 /nfs/dbraw/zinc/79/69/51/572796951.db2.gz AIEPNOBQOCIECO-UHFFFAOYSA-N 0 0 197.275 1.064 10 0 ADAERN C/C=C\CN(CCO)CC(F)F 307937004 572797944 /nfs/dbraw/zinc/79/79/44/572797944.db2.gz HCQZFGNUSQCYDU-IHWYPQMZSA-N 0 0 179.210 1.122 10 0 ADAERN Nc1cc(Cc2ccncc2)co1 257564837 572797036 /nfs/dbraw/zinc/79/70/36/572797036.db2.gz QCIFVSLFTDWDQC-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN CCCC[C@H]1OC(=O)C[C@H]1CO 307937113 572797046 /nfs/dbraw/zinc/79/70/46/572797046.db2.gz ADOZGOVRFAGRJP-JGVFFNPUSA-N 0 0 172.224 1.101 10 0 ADAERN Cc1coc(Cc2ccc(N)o2)n1 257564847 572797058 /nfs/dbraw/zinc/79/70/58/572797058.db2.gz QJIABAPUWLLMEB-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN CONCc1cc2n(c1)CCC2 75067604 572797099 /nfs/dbraw/zinc/79/70/99/572797099.db2.gz ILXBUCRWCVALLL-UHFFFAOYSA-N 0 0 166.224 1.085 10 0 ADAERN Cc1[nH]nc(Cc2coc(N)c2)c1C 257565200 572797113 /nfs/dbraw/zinc/79/71/13/572797113.db2.gz ZEKUUTWUHODXTJ-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN Cc1c[nH]nc1Cc1coc(N)c1 257564718 572797123 /nfs/dbraw/zinc/79/71/23/572797123.db2.gz PONFPKQDXWQOJF-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN CONCc1cc2c(o1)CCCC2 75067779 572797135 /nfs/dbraw/zinc/79/71/35/572797135.db2.gz HMYPVAMMAHYQNU-UHFFFAOYSA-N 0 0 181.235 1.809 10 0 ADAERN Cc1c(Cc2ccoc2N)cnn1C 257564952 572797207 /nfs/dbraw/zinc/79/72/07/572797207.db2.gz ULXCZRBMWZSHND-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)C1CCC1 307940633 572797248 /nfs/dbraw/zinc/79/72/48/572797248.db2.gz BSZPSLSGQJIBMS-SSDOTTSWSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1cn(C)nc1Cc1ccoc1N 257564963 572797280 /nfs/dbraw/zinc/79/72/80/572797280.db2.gz UTXFQZDIBWOKDT-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN CCc1ccc2nccn2n1 117934348 572797967 /nfs/dbraw/zinc/79/79/67/572797967.db2.gz XJBVLOGNGSSUFJ-UHFFFAOYSA-N 0 0 147.181 1.292 10 0 ADAERN Cc1cc2c(=O)oc(C)cc2[nH]1 141670144 572797301 /nfs/dbraw/zinc/79/73/01/572797301.db2.gz YKHAYLZZKHPRBJ-UHFFFAOYSA-N 0 0 163.176 1.738 10 0 ADAERN C[C@@H]1CC[C@@H](C2=NC(C)(C)C(=O)N2)C1 235342019 572797357 /nfs/dbraw/zinc/79/73/57/572797357.db2.gz GJMGFKWIZKWTSN-HTQZYQBOSA-N 0 0 194.278 1.730 10 0 ADAERN C[C@H](O)C(=O)OCc1ccsc1 307937387 572797428 /nfs/dbraw/zinc/79/74/28/572797428.db2.gz AHHIFVUWIOTLEB-LURJTMIESA-N 0 0 186.232 1.172 10 0 ADAERN Oc1cc(Cl)c2c(c1)CCO2 141691291 572797444 /nfs/dbraw/zinc/79/74/44/572797444.db2.gz RFFZBKJTARUPHW-UHFFFAOYSA-N 0 0 170.595 1.981 10 0 ADAERN Cn1cccc1C(=O)CCCCCO 238552827 572797975 /nfs/dbraw/zinc/79/79/75/572797975.db2.gz ZECJVDSTEAEUPV-UHFFFAOYSA-N 0 0 195.262 1.761 10 0 ADAERN COc1noc(C)c1CC(C)=O 75067630 572797495 /nfs/dbraw/zinc/79/74/95/572797495.db2.gz HKQBXELVJWRUMK-UHFFFAOYSA-N 0 0 169.180 1.123 10 0 ADAERN CC[C@H](C(C)C)N1CCC(=O)C1=O 49647008 572797534 /nfs/dbraw/zinc/79/75/34/572797534.db2.gz RCBLLAKJEBCPCD-MRVPVSSYSA-N 0 0 183.251 1.222 10 0 ADAERN C[C@H](O)[C@@]1(c2ccccc2F)CO1 141686177 572797562 /nfs/dbraw/zinc/79/75/62/572797562.db2.gz UPVFJBRAVMFXMI-OIBJUYFYSA-N 0 0 182.194 1.432 10 0 ADAERN Cc1n[nH]c(C)c1Cc1ccc(N)o1 257565212 572797566 /nfs/dbraw/zinc/79/75/66/572797566.db2.gz ZRNYFPCZPWUJJU-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN COc1cc2ccn(C)c2cc1N 75067709 572797990 /nfs/dbraw/zinc/79/79/90/572797990.db2.gz BCOOHXRAUCFGKL-UHFFFAOYSA-N 0 0 176.219 1.769 10 0 ADAERN Nc1occc1Cc1cccnc1 257564926 572797656 /nfs/dbraw/zinc/79/76/56/572797656.db2.gz SQMWYQROSXLXLN-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN CONCc1ccn2c1CCCC2 75067751 572797995 /nfs/dbraw/zinc/79/79/95/572797995.db2.gz LUWXJFSZEKQYQO-UHFFFAOYSA-N 0 0 180.251 1.475 10 0 ADAERN Nc1ccc(-c2ccc[nH]2)o1 257566454 572797685 /nfs/dbraw/zinc/79/76/85/572797685.db2.gz BLURGDCTOWVKHV-UHFFFAOYSA-N 0 0 148.165 1.857 10 0 ADAERN CONCc1cc(C(C)C)nn1C 75067836 572798005 /nfs/dbraw/zinc/79/80/05/572798005.db2.gz WMRSRSRBXLXSTO-UHFFFAOYSA-N 0 0 183.255 1.195 10 0 ADAERN C/C(=C\C[NH2+][C@@H]1C[C@H]1C)C(=O)[O-] 307936408 572797757 /nfs/dbraw/zinc/79/77/57/572797757.db2.gz NDZQIYDYYSRSOT-DZPDEKMQSA-N 0 0 169.224 1.015 10 0 ADAERN CC[C@H](CC(=O)N1CCC1)SC 307940672 572797763 /nfs/dbraw/zinc/79/77/63/572797763.db2.gz BWMFBWCWCNMZJF-MRVPVSSYSA-N 0 0 187.308 1.750 10 0 ADAERN Cn1ccc(Cc2coc(N)c2)c1 257565026 572797769 /nfs/dbraw/zinc/79/77/69/572797769.db2.gz WQMVDHPFEQZULU-UHFFFAOYSA-N 0 0 176.219 1.791 10 0 ADAERN COc1ccc(CN(C)O)c(F)c1 75067869 572798010 /nfs/dbraw/zinc/79/80/10/572798010.db2.gz OUUWCMUHDMSFTC-UHFFFAOYSA-N 0 0 185.198 1.655 10 0 ADAERN Cc1nc(-c2ccco2)n(C)c1N 257564724 572797774 /nfs/dbraw/zinc/79/77/74/572797774.db2.gz PSRRRGHNGVBUSN-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN Nc1cccc([C@H](O)c2ccc[nH]2)c1 141658836 572797777 /nfs/dbraw/zinc/79/77/77/572797777.db2.gz NHMQVENGDRMFKV-NSHDSACASA-N 0 0 188.230 1.679 10 0 ADAERN CONCc1cnc2sccn12 75067834 572798013 /nfs/dbraw/zinc/79/80/13/572798013.db2.gz ANHIGAAXVCFZMA-UHFFFAOYSA-N 0 0 183.236 1.047 10 0 ADAERN COc1cc(Cl)ccc1CNO 75067923 572797817 /nfs/dbraw/zinc/79/78/17/572797817.db2.gz QGGBQPXGHJINEU-UHFFFAOYSA-N 0 0 187.626 1.827 10 0 ADAERN CCOC[C@H](O)CCCCF 307936719 572797934 /nfs/dbraw/zinc/79/79/34/572797934.db2.gz YPGGXAPPRACLCS-MRVPVSSYSA-N 0 0 164.220 1.524 10 0 ADAERN CONCc1ccc2n[nH]cc2c1 75067717 572797872 /nfs/dbraw/zinc/79/78/72/572797872.db2.gz FNRCIWNJOFXMEG-UHFFFAOYSA-N 0 0 177.207 1.214 10 0 ADAERN Cc1cc(Cc2ccc(N)o2)nn1C 257564962 572797882 /nfs/dbraw/zinc/79/78/82/572797882.db2.gz UTVWHNDWIJBEQV-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN CCC/C=C\C(=O)N1CC(F)C1 307937425 572797888 /nfs/dbraw/zinc/79/78/88/572797888.db2.gz AIUPXNCSOJPBGS-PLNGDYQASA-N 0 0 171.215 1.523 10 0 ADAERN COc1cc(CNO)ccc1F 75067663 572797907 /nfs/dbraw/zinc/79/79/07/572797907.db2.gz VCGYWTRBRDJQEH-UHFFFAOYSA-N 0 0 171.171 1.313 10 0 ADAERN CONCc1cccc(C)c1OC 75067775 572797911 /nfs/dbraw/zinc/79/79/11/572797911.db2.gz IUBDBRDOBVIJQE-UHFFFAOYSA-N 0 0 181.235 1.655 10 0 ADAERN CC/C(C(=O)[O-])=C1/C[C@@H](C)[N@H+](C)C1 714333233 572799289 /nfs/dbraw/zinc/79/92/89/572799289.db2.gz PFVSHKXMLITOBP-BDGYDECCSA-N 0 0 183.251 1.502 10 0 ADAERN Cc1c(Cc2ccc(N)o2)cnn1C 257564669 572799597 /nfs/dbraw/zinc/79/95/97/572799597.db2.gz OHOXJWQGDAYKRG-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN C[C@H]1CC(=O)CCN1Cc1ccco1 49708502 572798210 /nfs/dbraw/zinc/79/82/10/572798210.db2.gz WXGJHIGYCIVHQL-VIFPVBQESA-N 0 0 193.246 1.833 10 0 ADAERN CCC(=O)C1=C(O)CCSC1 141695417 572798213 /nfs/dbraw/zinc/79/82/13/572798213.db2.gz YHRVERGRYVGSPB-LURJTMIESA-N 0 0 172.249 1.288 10 0 ADAERN COC(=O)[C@]1(C)CCSC1 117903121 572798251 /nfs/dbraw/zinc/79/82/51/572798251.db2.gz OHNPHFHNBNRVGW-SSDOTTSWSA-N 0 0 160.238 1.303 10 0 ADAERN C[N@H+](C1CC1)[C@@H]1CC[C@@H](CC(=O)[O-])C1 250419937 572800093 /nfs/dbraw/zinc/80/00/93/572800093.db2.gz PDDXNYBHZFZXDT-PSASIEDQSA-N 0 0 197.278 1.724 10 0 ADAERN Nc1occc1Cc1ccccn1 257564904 572798279 /nfs/dbraw/zinc/79/82/79/572798279.db2.gz RZLDNQYSWQFTQE-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN C[C@@H]1CN(Cc2ccco2)CCC1=O 49693550 572798329 /nfs/dbraw/zinc/79/83/29/572798329.db2.gz XGKVETCFTKIDOZ-SECBINFHSA-N 0 0 193.246 1.691 10 0 ADAERN Nc1occc1CC(F)(F)F 257565002 572798337 /nfs/dbraw/zinc/79/83/37/572798337.db2.gz VTMSUJYLYNSQTF-UHFFFAOYSA-N 0 0 165.114 1.967 10 0 ADAERN COc1cccc(CN(C)O)c1 75067614 572798354 /nfs/dbraw/zinc/79/83/54/572798354.db2.gz GCCQSVHSBKDCSY-UHFFFAOYSA-N 0 0 167.208 1.516 10 0 ADAERN O=C1C=C(c2ccsc2)CN1 141673442 572798357 /nfs/dbraw/zinc/79/83/57/572798357.db2.gz HNJWLWXMNXPVJB-UHFFFAOYSA-N 0 0 165.217 1.261 10 0 ADAERN CONCc1ccc2[nH]cnc2c1 75067723 572798376 /nfs/dbraw/zinc/79/83/76/572798376.db2.gz BBBVMRXJMNIBFZ-UHFFFAOYSA-N 0 0 177.207 1.214 10 0 ADAERN CC(C)(C)OCn1ccc(CO)c1 308132294 572798383 /nfs/dbraw/zinc/79/83/83/572798383.db2.gz FRLZINBEQMVKIC-UHFFFAOYSA-N 0 0 183.251 1.753 10 0 ADAERN CONCc1nscc1C 75067588 572798416 /nfs/dbraw/zinc/79/84/16/572798416.db2.gz UDEIZGZSBIQASN-UHFFFAOYSA-N 0 0 158.226 1.103 10 0 ADAERN COc1c(F)cccc1CNO 75067664 572798428 /nfs/dbraw/zinc/79/84/28/572798428.db2.gz WWKBQPABBZJPPY-UHFFFAOYSA-N 0 0 171.171 1.313 10 0 ADAERN CCSCCC(=O)OCC(F)F 307937309 572798453 /nfs/dbraw/zinc/79/84/53/572798453.db2.gz QZAKJAOWTCBAIF-UHFFFAOYSA-N 0 0 198.234 1.938 10 0 ADAERN COc1cc(CO)cc2c1O[C@@H](C)C2 214764183 572798462 /nfs/dbraw/zinc/79/84/62/572798462.db2.gz GQONHYPEEZJVHL-ZETCQYMHSA-N 0 0 194.230 1.511 10 0 ADAERN Cc1nn(C)cc1Cc1coc(N)c1 257564864 572799934 /nfs/dbraw/zinc/79/99/34/572799934.db2.gz QVOKCVLRVMDASY-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN Cc1[nH]nc(Cc2ccc(N)o2)c1C 257564938 572798526 /nfs/dbraw/zinc/79/85/26/572798526.db2.gz UANSYWUFMNNBLV-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN CCOC[C@@H](O)CCCCF 307936723 572798550 /nfs/dbraw/zinc/79/85/50/572798550.db2.gz YPGGXAPPRACLCS-QMMMGPOBSA-N 0 0 164.220 1.524 10 0 ADAERN Cc1ncoc1Cc1coc(N)c1 257565148 572798559 /nfs/dbraw/zinc/79/85/59/572798559.db2.gz XIOXLHNBWRZDIJ-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN CCCc1coc(N)c1 257565034 572798568 /nfs/dbraw/zinc/79/85/68/572798568.db2.gz WYCKIMYEJMKBQM-UHFFFAOYSA-N 0 0 125.171 1.814 10 0 ADAERN COC(=O)[C@@]1(C)CCSC1 117903120 572798692 /nfs/dbraw/zinc/79/86/92/572798692.db2.gz OHNPHFHNBNRVGW-ZETCQYMHSA-N 0 0 160.238 1.303 10 0 ADAERN Cc1[nH]nc(Cc2ccoc2N)c1C 257564882 572798697 /nfs/dbraw/zinc/79/86/97/572798697.db2.gz RIVBQDKMYUZWJF-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN COc1cc(N)cc2c1ccn2C 75067708 572798714 /nfs/dbraw/zinc/79/87/14/572798714.db2.gz ONHXQCKXFSBWJE-UHFFFAOYSA-N 0 0 176.219 1.769 10 0 ADAERN CC(C)c1ccc2nccn2n1 117936333 572798742 /nfs/dbraw/zinc/79/87/42/572798742.db2.gz ZSCGCCLKYHDKTL-UHFFFAOYSA-N 0 0 161.208 1.853 10 0 ADAERN N[C@@H]1C(=O)Sc2ccccc21 257564677 572798756 /nfs/dbraw/zinc/79/87/56/572798756.db2.gz OKVURTIPRNAVOL-ZETCQYMHSA-N 0 0 165.217 1.319 10 0 ADAERN Cc1nocc1Cc1ccc(N)o1 257564679 572798766 /nfs/dbraw/zinc/79/87/66/572798766.db2.gz OMVORXKAGMJTQV-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN CONCc1c[nH]c2c1C[C@@H](C)C2 75067753 572798771 /nfs/dbraw/zinc/79/87/71/572798771.db2.gz FQXXYWZTMTXQAL-SSDOTTSWSA-N 0 0 180.251 1.400 10 0 ADAERN Cc1conc1Cc1coc(N)c1 257565028 572798777 /nfs/dbraw/zinc/79/87/77/572798777.db2.gz WSJXGUVQYGBGPH-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN COc1ncc([C@@H](C)N(C)O)s1 75067928 572798781 /nfs/dbraw/zinc/79/87/81/572798781.db2.gz VHTYEZZQWNDAMC-RXMQYKEDSA-N 0 0 188.252 1.534 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1CCF 235341295 572798793 /nfs/dbraw/zinc/79/87/93/572798793.db2.gz PDMWMPIANCZJRK-SFYZADRCSA-N 0 0 189.230 1.141 10 0 ADAERN CCc1nc(-c2ccco2)n(C)c1N 257564998 572798813 /nfs/dbraw/zinc/79/88/13/572798813.db2.gz VROWIQBTIFJPST-UHFFFAOYSA-N 0 0 191.234 1.825 10 0 ADAERN Cc1ncoc1Cc1ccc(N)o1 257564942 572798820 /nfs/dbraw/zinc/79/88/20/572798820.db2.gz UEVRQNCZODKFAD-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Cn1cc(Cc2coc(N)c2)cn1 257564992 572798826 /nfs/dbraw/zinc/79/88/26/572798826.db2.gz VLZGIZMZKXCCOZ-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN CONCc1c[nH]c2c1C[C@H](C)C2 75067754 572798854 /nfs/dbraw/zinc/79/88/54/572798854.db2.gz FQXXYWZTMTXQAL-ZETCQYMHSA-N 0 0 180.251 1.400 10 0 ADAERN Nc1occc1Cc1cncs1 257564902 572798870 /nfs/dbraw/zinc/79/88/70/572798870.db2.gz RZHFKDVLWAHBFV-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cc1cc(Cc2ccoc2N)no1 257565182 572798915 /nfs/dbraw/zinc/79/89/15/572798915.db2.gz YMOPAJSKDRLLAK-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN O=Cc1ccc2c(c1)COC(=S)O2 214763320 572798918 /nfs/dbraw/zinc/79/89/18/572798918.db2.gz CIJJDPOUSGWIAO-UHFFFAOYSA-N 0 0 194.211 1.693 10 0 ADAERN Cc1ncc(Cc2coc(N)c2)o1 257564939 572798921 /nfs/dbraw/zinc/79/89/21/572798921.db2.gz UBPCKUIZOAOBOU-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Nc1ccc2c(c1)-n1ccnc1C=NC2 117915716 572798945 /nfs/dbraw/zinc/79/89/45/572798945.db2.gz HBBNINQGFQHNHF-UHFFFAOYSA-N 0 0 198.229 1.387 10 0 ADAERN Nc1ccc(Cc2ccon2)o1 257564678 572798950 /nfs/dbraw/zinc/79/89/50/572798950.db2.gz OLZIREXLQHBJAJ-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN COc1ncc(CC(C)=O)s1 75067674 572798953 /nfs/dbraw/zinc/79/89/53/572798953.db2.gz UBCCIRUDHKVROD-UHFFFAOYSA-N 0 0 171.221 1.283 10 0 ADAERN O[C@@H](CC1CCCC1)[C@H](O)C1CC1 236516053 572798959 /nfs/dbraw/zinc/79/89/59/572798959.db2.gz PPANAYWFQGEZQU-WDEREUQCSA-N 0 0 184.279 1.699 10 0 ADAERN CC[C@H](C)C(=O)N(C)CC(C)=O 307937542 572799009 /nfs/dbraw/zinc/79/90/09/572799009.db2.gz AMBDVGFAHVRQEG-ZETCQYMHSA-N 0 0 171.240 1.080 10 0 ADAERN COc1cccc2cc(N)[nH]c12 75067596 572799051 /nfs/dbraw/zinc/79/90/51/572799051.db2.gz QMBVSZJLWCWLHN-UHFFFAOYSA-N 0 0 162.192 1.759 10 0 ADAERN CC(C)[C@H](O)CC[C@@H](C)[C@H](C)O 307938227 572799053 /nfs/dbraw/zinc/79/90/53/572799053.db2.gz KAHNESNFNKZZNB-KXUCPTDWSA-N 0 0 174.284 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172.203 1.674 10 0 ADAERN CC(C)[C@H](O)[C@@H](C)C[C@H](C)CO 307937708 572799125 /nfs/dbraw/zinc/79/91/25/572799125.db2.gz POSMSTCLBZDLEH-GUBZILKMSA-N 0 0 174.284 1.658 10 0 ADAERN Oc1ccccc1OC[C@H]1CCOC1 49689647 572799148 /nfs/dbraw/zinc/79/91/48/572799148.db2.gz HUNYQSVCVYGPJT-VIFPVBQESA-N 0 0 194.230 1.808 10 0 ADAERN CC(C)=CC(=O)OC[C@H](C)CO 307939173 572799171 /nfs/dbraw/zinc/79/91/71/572799171.db2.gz ARIZNSOOSSOBDO-MRVPVSSYSA-N 0 0 172.224 1.124 10 0 ADAERN Nc1cc(Cc2cnco2)co1 257565185 572799193 /nfs/dbraw/zinc/79/91/93/572799193.db2.gz YQTXUFVVJFPXRF-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Cc1cn(C)nc1Cc1ccc(N)o1 257564961 572799242 /nfs/dbraw/zinc/79/92/42/572799242.db2.gz UTLKRMCLJBGBTC-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN CONCc1ccc(F)c(OC)c1 75067867 572799260 /nfs/dbraw/zinc/79/92/60/572799260.db2.gz SNWXYCYKPCTOCE-UHFFFAOYSA-N 0 0 185.198 1.485 10 0 ADAERN CCSCCC(=O)NCC1CC1 307939335 572799268 /nfs/dbraw/zinc/79/92/68/572799268.db2.gz VAHNRWXTLWBSED-UHFFFAOYSA-N 0 0 187.308 1.656 10 0 ADAERN CC(C)SCCC(=O)NC1CC1 307938393 572799284 /nfs/dbraw/zinc/79/92/84/572799284.db2.gz ADPGGKGMSOOMDT-UHFFFAOYSA-N 0 0 187.308 1.797 10 0 ADAERN COCC(=O)c1ncccc1Cl 234596528 572802584 /nfs/dbraw/zinc/80/25/84/572802584.db2.gz PZLVVVLHPKFLHV-UHFFFAOYSA-N 0 0 185.610 1.564 10 0 ADAERN O=Cc1cccc2c1COC(=S)O2 214763534 572799294 /nfs/dbraw/zinc/79/92/94/572799294.db2.gz FRHWSRVXDAYZOV-UHFFFAOYSA-N 0 0 194.211 1.693 10 0 ADAERN CONCc1cc2c(o1)CCC2 75067615 572799305 /nfs/dbraw/zinc/79/93/05/572799305.db2.gz VAEHSTLXVISMLC-UHFFFAOYSA-N 0 0 167.208 1.419 10 0 ADAERN COc1cc(C2(O)CC2)cc(O)c1C 214763980 572799327 /nfs/dbraw/zinc/79/93/27/572799327.db2.gz PBPDTPARRZQKFF-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CC(C)/C=C\[C@@H](CO)C(C)(C)O 307939455 572799336 /nfs/dbraw/zinc/79/93/36/572799336.db2.gz LKXNVSQXRYTLIN-UDIARPCQSA-N 0 0 172.268 1.578 10 0 ADAERN CC[C@@H](C)CC(=O)OC[C@H](C)O 307939202 572799341 /nfs/dbraw/zinc/79/93/41/572799341.db2.gz ASNMOBMLRBLVME-SFYZADRCSA-N 0 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/nfs/dbraw/zinc/80/00/26/572800026.db2.gz AMBDVGFAHVRQEG-SSDOTTSWSA-N 0 0 171.240 1.080 10 0 ADAERN C/C=C\CCNC(=O)NCCC 307937792 572800047 /nfs/dbraw/zinc/80/00/47/572800047.db2.gz WCIHBWSEDBUUON-HYXAFXHYSA-N 0 0 170.256 1.662 10 0 ADAERN CC1(C(=O)OCCCCO)CC1 307939568 572800055 /nfs/dbraw/zinc/80/00/55/572800055.db2.gz AYNZCNBVFHBIEM-UHFFFAOYSA-N 0 0 172.224 1.102 10 0 ADAERN Nc1ccc(Cc2ncco2)o1 257564672 572800062 /nfs/dbraw/zinc/80/00/62/572800062.db2.gz OJHFWRSUPBNPBX-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Cc1coc(Cc2ccoc2N)n1 257564735 572800076 /nfs/dbraw/zinc/80/00/76/572800076.db2.gz QAKPEYCOWBWRSS-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN C[C@@H](O)CCC(=O)OCC1CC1 307938876 572800089 /nfs/dbraw/zinc/80/00/89/572800089.db2.gz AKZRJWKHZKTTSV-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@@H]1CCC[C@H](CN2CNCC2=O)C1 235341699 572800105 /nfs/dbraw/zinc/80/01/05/572800105.db2.gz HEFBITMNGVNPOU-ZJUUUORDSA-N 0 0 196.294 1.202 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+][C@@H]1C[C@H]1C 307938151 572800107 /nfs/dbraw/zinc/80/01/07/572800107.db2.gz QRNARZHQSPPIHG-NAYHLWOXSA-N 0 0 169.224 1.015 10 0 ADAERN CONCc1cc(C)sn1 75067587 572800116 /nfs/dbraw/zinc/80/01/16/572800116.db2.gz MMHSGMLINXAUMH-UHFFFAOYSA-N 0 0 158.226 1.103 10 0 ADAERN C/C=C\[C@H](O)[C@@H](O)c1ccco1 307939013 572800132 /nfs/dbraw/zinc/80/01/32/572800132.db2.gz LEASQDQUNJIFKN-OEQCUVSTSA-N 0 0 168.192 1.250 10 0 ADAERN CONCc1cccc(F)c1OC 75067868 572800133 /nfs/dbraw/zinc/80/01/33/572800133.db2.gz NCZKXBRRIFGDLR-UHFFFAOYSA-N 0 0 185.198 1.485 10 0 ADAERN CONCc1ccc(C)cc1OC 75067776 572800147 /nfs/dbraw/zinc/80/01/47/572800147.db2.gz PWVRJGVRWBBSAW-UHFFFAOYSA-N 0 0 181.235 1.655 10 0 ADAERN CONCc1cccc2[nH]cnc12 75067722 572800176 /nfs/dbraw/zinc/80/01/76/572800176.db2.gz YRIFCVSINJYUCG-UHFFFAOYSA-N 0 0 177.207 1.214 10 0 ADAERN COc1ccc(F)cc1CN(C)O 75067870 572800203 /nfs/dbraw/zinc/80/02/03/572800203.db2.gz QCGIILNLPLUSFT-UHFFFAOYSA-N 0 0 185.198 1.655 10 0 ADAERN Cc1n[nH]c(C)c1-c1ccc(N)o1 257566448 572800236 /nfs/dbraw/zinc/80/02/36/572800236.db2.gz BFBZYWSEEJHWLU-UHFFFAOYSA-N 0 0 177.207 1.869 10 0 ADAERN Nc1ccc(CC2CC2)o1 257564684 572800244 /nfs/dbraw/zinc/80/02/44/572800244.db2.gz OPHKNRZTLHIZAP-UHFFFAOYSA-N 0 0 137.182 1.814 10 0 ADAERN CCCC/C=C/[C@H](O)[C@H](C)O 307938149 572800322 /nfs/dbraw/zinc/80/03/22/572800322.db2.gz ZMXQIGOIFXTJTO-YKAJXJTPSA-N 0 0 158.241 1.475 10 0 ADAERN C/C=C\C(=O)OCC(=O)C1CC1 307937879 572800327 /nfs/dbraw/zinc/80/03/27/572800327.db2.gz AOFMSAPUWRTRQW-IHWYPQMZSA-N 0 0 168.192 1.085 10 0 ADAERN CCCC[N@@H+]1CCC(=O)C[C@@H]1C 49707357 572801229 /nfs/dbraw/zinc/80/12/29/572801229.db2.gz IIUVDWFWKFDMTH-VIFPVBQESA-N 0 0 169.268 1.840 10 0 ADAERN Cn1ccc2c1NC(C)(C)C(=O)N2 257567681 572802601 /nfs/dbraw/zinc/80/26/01/572802601.db2.gz BFNLSXCPEFPNSW-UHFFFAOYSA-N 0 0 179.223 1.168 10 0 ADAERN Cc1nccnc1S[C@H](C)[C@@H](C)O 235346491 572800392 /nfs/dbraw/zinc/80/03/92/572800392.db2.gz FBBMBCAFOCWIAQ-HTQZYQBOSA-N 0 0 198.291 1.646 10 0 ADAERN C[C@H]1CC(=O)CCN1C1CC1 49708984 572800399 /nfs/dbraw/zinc/80/03/99/572800399.db2.gz AMMQALMYCSGJJF-ZETCQYMHSA-N 0 0 153.225 1.202 10 0 ADAERN COc1ccc(CN(C)O)c(C)c1 75067772 572800405 /nfs/dbraw/zinc/80/04/05/572800405.db2.gz WUJGEHHJDIXKHM-UHFFFAOYSA-N 0 0 181.235 1.825 10 0 ADAERN C[C@H](F)CCOCc1ncc[nH]1 307939187 572800411 /nfs/dbraw/zinc/80/04/11/572800411.db2.gz ARPWWSCIZLQGTC-ZETCQYMHSA-N 0 0 172.203 1.674 10 0 ADAERN CC/C(C(=O)[O-])=C1/C[C@H](C)[N@H+](C)C1 714333234 572800420 /nfs/dbraw/zinc/80/04/20/572800420.db2.gz PFVSHKXMLITOBP-MXMZYCHESA-N 0 0 183.251 1.502 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+][C@@H]1C[C@@H]1C 307938150 572800429 /nfs/dbraw/zinc/80/04/29/572800429.db2.gz QRNARZHQSPPIHG-HUBQWXJRSA-N 0 0 169.224 1.015 10 0 ADAERN CN(C)c1cc(N)[nH]c1CC1CC1 257568126 572802604 /nfs/dbraw/zinc/80/26/04/572802604.db2.gz DYOKNUSHNHUYOA-UHFFFAOYSA-N 0 0 179.267 1.615 10 0 ADAERN Nc1ccc(Cc2cn[nH]c2)o1 257564890 572800475 /nfs/dbraw/zinc/80/04/75/572800475.db2.gz RNPTUHBHWMDKDT-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN CC[C@@H](CC(=O)NCCF)SC 307938929 572800482 /nfs/dbraw/zinc/80/04/82/572800482.db2.gz AOLLJDOOVAZWME-ZETCQYMHSA-N 0 0 193.287 1.604 10 0 ADAERN Nc1cc(CC2CC2)co1 257564719 572800483 /nfs/dbraw/zinc/80/04/83/572800483.db2.gz POXPZCVAGJBSDH-UHFFFAOYSA-N 0 0 137.182 1.814 10 0 ADAERN CCON(C)C(=O)[C@@H](C)CSC 307938757 572800495 /nfs/dbraw/zinc/80/04/95/572800495.db2.gz UDCLWLMZKIHPNO-ZETCQYMHSA-N 0 0 191.296 1.395 10 0 ADAERN COc1ccc2c(c1)CC(=O)CN2 75067714 572800497 /nfs/dbraw/zinc/80/04/97/572800497.db2.gz LGAJAILQQZUYAU-UHFFFAOYSA-N 0 0 177.203 1.232 10 0 ADAERN C/C=C/C(=O)OCC(=O)C1CC1 307937880 572800506 /nfs/dbraw/zinc/80/05/06/572800506.db2.gz AOFMSAPUWRTRQW-NSCUHMNNSA-N 0 0 168.192 1.085 10 0 ADAERN CC/C=C/[C@@H]1C[C@H]1OCCO 307937621 572800528 /nfs/dbraw/zinc/80/05/28/572800528.db2.gz ZHIFLPASHBIYBN-HUGTUPKYSA-N 0 0 156.225 1.350 10 0 ADAERN COc1nc(CC(C)=O)cs1 75067673 572800550 /nfs/dbraw/zinc/80/05/50/572800550.db2.gz OGDSMYWSVSQATM-UHFFFAOYSA-N 0 0 171.221 1.283 10 0 ADAERN CONCc1cc(C)oc1C 75067559 572800618 /nfs/dbraw/zinc/80/06/18/572800618.db2.gz MYZOUEWFXVEKNE-UHFFFAOYSA-N 0 0 155.197 1.547 10 0 ADAERN Nc1coc(Cc2ccncc2)c1 257566737 572801851 /nfs/dbraw/zinc/80/18/51/572801851.db2.gz ITECQIDJYOHWPO-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN CC(C)[C@H](O)CC[C@H](C)[C@H](C)O 307938228 572800682 /nfs/dbraw/zinc/80/06/82/572800682.db2.gz KAHNESNFNKZZNB-LPEHRKFASA-N 0 0 174.284 1.800 10 0 ADAERN COc1cc(C)c(C)cc1CNO 75067777 572800685 /nfs/dbraw/zinc/80/06/85/572800685.db2.gz SIOJONIROYEDQT-UHFFFAOYSA-N 0 0 181.235 1.791 10 0 ADAERN CCOCC(=O)CCCCOC 307937856 572800723 /nfs/dbraw/zinc/80/07/23/572800723.db2.gz AMMNWIPMBDSEER-UHFFFAOYSA-N 0 0 174.240 1.409 10 0 ADAERN ONCc1cc(F)ccc1Cl 75067703 572800752 /nfs/dbraw/zinc/80/07/52/572800752.db2.gz AZYCCHPKCWYWFG-UHFFFAOYSA-N 0 0 175.590 1.958 10 0 ADAERN C[C@H]1Cc2c(F)ccc(O)c2N1 713758188 572800772 /nfs/dbraw/zinc/80/07/72/572800772.db2.gz DCWXUPYUAOYIRJ-YFKPBYRVSA-N 0 0 167.183 1.888 10 0 ADAERN CCC[C@H](O)[C@H](CCC)[C@H](C)O 307938217 572800828 /nfs/dbraw/zinc/80/08/28/572800828.db2.gz JZGNTHGLFLEVNI-AEJSXWLSSA-N 0 0 174.284 1.945 10 0 ADAERN OCc1cn(CCC(F)(F)F)cn1 236516344 572800849 /nfs/dbraw/zinc/80/08/49/572800849.db2.gz UFWFJQOLVSVBQC-UHFFFAOYSA-N 0 0 194.156 1.328 10 0 ADAERN O=Cc1ccc2c(c1)OC(=S)OC2 214763392 572800874 /nfs/dbraw/zinc/80/08/74/572800874.db2.gz IKGFDUCVYMDMGC-UHFFFAOYSA-N 0 0 194.211 1.693 10 0 ADAERN C[C@@H]1Cc2c(F)ccc(O)c2N1 713758181 572800888 /nfs/dbraw/zinc/80/08/88/572800888.db2.gz DCWXUPYUAOYIRJ-RXMQYKEDSA-N 0 0 167.183 1.888 10 0 ADAERN COc1cnc(C(C)(C)N(C)O)o1 75067904 572800895 /nfs/dbraw/zinc/80/08/95/572800895.db2.gz MLLXZGWKHQZUMH-UHFFFAOYSA-N 0 0 186.211 1.239 10 0 ADAERN CC(C)[C@@H](O)[C@@H](C)C[C@H](C)CO 307937709 572800899 /nfs/dbraw/zinc/80/08/99/572800899.db2.gz POSMSTCLBZDLEH-LPEHRKFASA-N 0 0 174.284 1.658 10 0 ADAERN C/C=C\[C@H](O)C[C@H](O)CCCC 307938818 572800943 /nfs/dbraw/zinc/80/09/43/572800943.db2.gz RVHKJPTZEVELEH-RRAVTNDYSA-N 0 0 172.268 1.865 10 0 ADAERN C/C=C\[C@H](O)C[C@@H](O)CCCC 307938819 572800954 /nfs/dbraw/zinc/80/09/54/572800954.db2.gz RVHKJPTZEVELEH-SBXZVLJPSA-N 0 0 172.268 1.865 10 0 ADAERN CC(C)=CC(=O)OC[C@@H](C)CO 307939174 572800957 /nfs/dbraw/zinc/80/09/57/572800957.db2.gz ARIZNSOOSSOBDO-QMMMGPOBSA-N 0 0 172.224 1.124 10 0 ADAERN C/C=C\[C@H](O)[C@H](O)c1ccco1 307939012 572800960 /nfs/dbraw/zinc/80/09/60/572800960.db2.gz LEASQDQUNJIFKN-FKOSFJKKSA-N 0 0 168.192 1.250 10 0 ADAERN CC(C)/C=C\[C@H](CO)C(C)(C)O 307939454 572800978 /nfs/dbraw/zinc/80/09/78/572800978.db2.gz LKXNVSQXRYTLIN-SSJHQANKSA-N 0 0 172.268 1.578 10 0 ADAERN CONCc1cc2cccnc2[nH]1 75067718 572800992 /nfs/dbraw/zinc/80/09/92/572800992.db2.gz UVJZJDFGFWNNDY-UHFFFAOYSA-N 0 0 177.207 1.214 10 0 ADAERN CC[C@H](C)CC(=O)OC[C@@H](C)O 307939201 572800996 /nfs/dbraw/zinc/80/09/96/572800996.db2.gz ASNMOBMLRBLVME-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN CCOCC(=O)CCCCF 307938517 572801029 /nfs/dbraw/zinc/80/10/29/572801029.db2.gz ZYJNEBSIDJAXFN-UHFFFAOYSA-N 0 0 162.204 1.732 10 0 ADAERN Nc1ccc(CC2CC2)[nH]1 257567099 572801042 /nfs/dbraw/zinc/80/10/42/572801042.db2.gz POPATRIRSAFTHX-UHFFFAOYSA-N 0 0 136.198 1.549 10 0 ADAERN Cc1nocc1Cc1cc[nH]c1N 257570226 572801059 /nfs/dbraw/zinc/80/10/59/572801059.db2.gz CMRBIYOTQPQHER-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN CONCc1cccc2ncoc12 75067730 572801068 /nfs/dbraw/zinc/80/10/68/572801068.db2.gz PTEKJVZBESGDEL-UHFFFAOYSA-N 0 0 178.191 1.479 10 0 ADAERN COc1cnc([C@@H](C)N(C)O)o1 75067681 572801110 /nfs/dbraw/zinc/80/11/10/572801110.db2.gz PTTLSPMDWFMHIR-RXMQYKEDSA-N 0 0 172.184 1.065 10 0 ADAERN Cc1cc(N)c(N2CCCC2)o1 257568138 572801127 /nfs/dbraw/zinc/80/11/27/572801127.db2.gz FDZZPZVOIYCYOG-UHFFFAOYSA-N 0 0 166.224 1.770 10 0 ADAERN Cc1c(N2CCCCC2)cc(N)n1C 257568358 572802614 /nfs/dbraw/zinc/80/26/14/572802614.db2.gz GFNWKZWYUZTOEV-UHFFFAOYSA-N 0 0 193.294 1.906 10 0 ADAERN C[C@@H]1N=C([C@@H]2CCC[C@@H](C)C2)NC1=O 235343609 572801143 /nfs/dbraw/zinc/80/11/43/572801143.db2.gz OHWBUBJKAYESDZ-HRDYMLBCSA-N 0 0 194.278 1.730 10 0 ADAERN COCC(=O)c1ccnc(C)c1 234596076 572801144 /nfs/dbraw/zinc/80/11/44/572801144.db2.gz KJRSTYUOWLJEKH-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN CCCC/C=C\[C@H](O)[C@H](C)O 307938153 572801160 /nfs/dbraw/zinc/80/11/60/572801160.db2.gz ZMXQIGOIFXTJTO-YYRDVDDBSA-N 0 0 158.241 1.475 10 0 ADAERN CONCc1cccc2c1O[C@@H](C)C2 75068069 572802699 /nfs/dbraw/zinc/80/26/99/572802699.db2.gz BYVNHGHYBONPKN-QMMMGPOBSA-N 0 0 193.246 1.661 10 0 ADAERN CCCc1oc(N)cc1N(C)C 257568116 572801179 /nfs/dbraw/zinc/80/11/79/572801179.db2.gz DVOQNGKWLTYVNH-UHFFFAOYSA-N 0 0 168.240 1.880 10 0 ADAERN CCC[C@H](C)NC=CC(=O)OC 307938730 572801183 /nfs/dbraw/zinc/80/11/83/572801183.db2.gz RCRQRVCFINQRFD-UAPHAKCISA-N 0 0 171.240 1.451 10 0 ADAERN C[C@@H]1C[C@@H]([NH+]2CCC(=O)CC2)CCO1 235345698 572801191 /nfs/dbraw/zinc/80/11/91/572801191.db2.gz BSNIIERPHWISJE-ZJUUUORDSA-N 0 0 197.278 1.219 10 0 ADAERN Cc1cc(C(N)=S)c(C)s1 49685364 572801214 /nfs/dbraw/zinc/80/12/14/572801214.db2.gz CGNGLYRWEFODCT-UHFFFAOYSA-N 0 0 171.290 1.999 10 0 ADAERN CCCOC(=O)C1(CCO)CC1 307939175 572801222 /nfs/dbraw/zinc/80/12/22/572801222.db2.gz ARLMTQQTWANBQQ-UHFFFAOYSA-N 0 0 172.224 1.102 10 0 ADAERN Cc1cc(N)oc1N1CCC(=O)CC1 257567855 572801262 /nfs/dbraw/zinc/80/12/62/572801262.db2.gz CEIYKIMVAZBZFH-UHFFFAOYSA-N 0 0 194.234 1.340 10 0 ADAERN Oc1cccc(OC[C@H]2CCOC2)c1 49689649 572801268 /nfs/dbraw/zinc/80/12/68/572801268.db2.gz VTFCIOVTWAPSEA-VIFPVBQESA-N 0 0 194.230 1.808 10 0 ADAERN Nc1[nH]ccc1Cc1cnoc1 257570213 572801278 /nfs/dbraw/zinc/80/12/78/572801278.db2.gz CFGPTQOCQKCCCH-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN Cc1cnnc(N[C@@H]2CCO[C@H]2C)c1 235345933 572801283 /nfs/dbraw/zinc/80/12/83/572801283.db2.gz MVHKIJMFJLWMJL-DTWKUNHWSA-N 0 0 193.250 1.374 10 0 ADAERN CN(C)c1cc(N)oc1CC1CC1 257567622 572803500 /nfs/dbraw/zinc/80/35/00/572803500.db2.gz ANVVRMILKABVMR-UHFFFAOYSA-N 0 0 180.251 1.880 10 0 ADAERN Nc1[nH]ccc1Cc1cnco1 257570220 572801299 /nfs/dbraw/zinc/80/12/99/572801299.db2.gz CHSXHLZSYNZDGV-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN Cn1ccc(-c2ccc(N)s2)n1 257566991 572801323 /nfs/dbraw/zinc/80/13/23/572801323.db2.gz NUJXBYUVEDCJFQ-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Nc1ccc(-c2cn[nH]c2)o1 257566635 572801334 /nfs/dbraw/zinc/80/13/34/572801334.db2.gz GEWFTZLXSHOJNM-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Cc1cc(N)sc1N1CC[C@@H](O)C1 257570527 572801366 /nfs/dbraw/zinc/80/13/66/572801366.db2.gz ULSVBLQJBXZTGG-SSDOTTSWSA-N 0 0 198.291 1.210 10 0 ADAERN Nc1ccc(-c2ccon2)s1 257567185 572801411 /nfs/dbraw/zinc/80/14/11/572801411.db2.gz RKLKAILBNBTPBL-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN CCCc1ccc(N)[nH]1 257566663 572801390 /nfs/dbraw/zinc/80/13/90/572801390.db2.gz GQSDRTOIFRXEMF-UHFFFAOYSA-N 0 0 124.187 1.549 10 0 ADAERN CCc1cc(N)co1 257567112 572801394 /nfs/dbraw/zinc/80/13/94/572801394.db2.gz PTXNSZWPXCZXEI-UHFFFAOYSA-N 0 0 111.144 1.424 10 0 ADAERN Cc1cc(N)sc1N1CC[C@H](O)C1 257570528 572801454 /nfs/dbraw/zinc/80/14/54/572801454.db2.gz ULSVBLQJBXZTGG-ZETCQYMHSA-N 0 0 198.291 1.210 10 0 ADAERN Cc1cc(-c2ccc(N)o2)no1 257566984 572801470 /nfs/dbraw/zinc/80/14/70/572801470.db2.gz NOOSQUSTPRWHNL-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Oc1ccccc1OC[C@@H]1CCOC1 49689646 572801493 /nfs/dbraw/zinc/80/14/93/572801493.db2.gz HUNYQSVCVYGPJT-SECBINFHSA-N 0 0 194.230 1.808 10 0 ADAERN CC(C)[C@H](O)[C@H](C)C[C@H](C)CO 307937707 572801525 /nfs/dbraw/zinc/80/15/25/572801525.db2.gz POSMSTCLBZDLEH-AEJSXWLSSA-N 0 0 174.284 1.658 10 0 ADAERN CONCc1ccc2c(c1)O[C@H](C)C2 75068066 572802720 /nfs/dbraw/zinc/80/27/20/572802720.db2.gz STBHSOHKKCXNCP-MRVPVSSYSA-N 0 0 193.246 1.661 10 0 ADAERN CCN(OC)C(=O)C1CC=CC1 307937872 572801565 /nfs/dbraw/zinc/80/15/65/572801565.db2.gz ANSMNXZCASKORA-UHFFFAOYSA-N 0 0 169.224 1.363 10 0 ADAERN Cc1sc(N)cc1S(C)(=O)=O 257566616 572801595 /nfs/dbraw/zinc/80/15/95/572801595.db2.gz FSSMZFZYNQHFQX-UHFFFAOYSA-N 0 0 191.277 1.042 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]12NC(=O)NC2=O 235352761 572801635 /nfs/dbraw/zinc/80/16/35/572801635.db2.gz FFPIRLBXEYJRBG-LDWIPMOCSA-N 0 0 196.250 1.021 10 0 ADAERN COc1ccc(F)c(/C=C\CO)c1 714553417 572801643 /nfs/dbraw/zinc/80/16/43/572801643.db2.gz QDYNMPUNXBEGKP-IHWYPQMZSA-N 0 0 182.194 1.840 10 0 ADAERN CC/C=C\[C@@H]1C[C@H]1OCCO 307937622 572801648 /nfs/dbraw/zinc/80/16/48/572801648.db2.gz ZHIFLPASHBIYBN-UREXNXCXSA-N 0 0 156.225 1.350 10 0 ADAERN CONCc1cc2ccc(O)cc2[nH]1 75068030 572801650 /nfs/dbraw/zinc/80/16/50/572801650.db2.gz FSUPITFOQKWIEJ-UHFFFAOYSA-N 0 0 192.218 1.525 10 0 ADAERN C/C=C\CC[C@H](O)CCCCO 307939140 572801662 /nfs/dbraw/zinc/80/16/62/572801662.db2.gz UCIBPSQIMYJNKY-ZMWSMAPVSA-N 0 0 172.268 1.866 10 0 ADAERN COc1cccc(CN(C)O)c1OC 75068246 572801677 /nfs/dbraw/zinc/80/16/77/572801677.db2.gz KKGPNKAMRAOIDD-UHFFFAOYSA-N 0 0 197.234 1.525 10 0 ADAERN CC[C@@H](SC)C(=O)OC1CC1 307937583 572801703 /nfs/dbraw/zinc/80/17/03/572801703.db2.gz ZDKKWGNZYRHRDU-SSDOTTSWSA-N 0 0 174.265 1.834 10 0 ADAERN CN(C)c1cc(N)n(C)c1CC1CC1 257568155 572801716 /nfs/dbraw/zinc/80/17/16/572801716.db2.gz FGPJLVCCDAGYEK-UHFFFAOYSA-N 0 0 193.294 1.626 10 0 ADAERN CONCc1ccc2cnsc2c1 75068124 572802728 /nfs/dbraw/zinc/80/27/28/572802728.db2.gz VWVLBLXULCPRBF-UHFFFAOYSA-N 0 0 194.259 1.947 10 0 ADAERN Nc1ccc(-c2cnco2)s1 257567159 572801720 /nfs/dbraw/zinc/80/17/20/572801720.db2.gz QOTSGZBKNZMWEX-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN C/C=C\CC[C@@H](O)CCCCO 307939138 572801722 /nfs/dbraw/zinc/80/17/22/572801722.db2.gz UCIBPSQIMYJNKY-MXQLGCADSA-N 0 0 172.268 1.866 10 0 ADAERN CCCc1c(N(C)C)cc(N)n1C 257570556 572801727 /nfs/dbraw/zinc/80/17/27/572801727.db2.gz UUBDJAGHGWTIOW-UHFFFAOYSA-N 0 0 181.283 1.626 10 0 ADAERN Cc1sc(N)cc1N1CC[C@H](O)C1 257567603 572801729 /nfs/dbraw/zinc/80/17/29/572801729.db2.gz AIFYNZJVGMVDFC-ZETCQYMHSA-N 0 0 198.291 1.210 10 0 ADAERN CONCc1cccc2[nH]c(C)nc12 75068004 572801732 /nfs/dbraw/zinc/80/17/32/572801732.db2.gz QYYNPRMGTFWEBH-UHFFFAOYSA-N 0 0 191.234 1.522 10 0 ADAERN CONCc1cccc2ccn(C)c12 75067967 572801745 /nfs/dbraw/zinc/80/17/45/572801745.db2.gz OJLFURHGDXCXMX-UHFFFAOYSA-N 0 0 190.246 1.829 10 0 ADAERN Cc1cc(N)c(N2CCC[C@H](O)C2)o1 257568374 572801748 /nfs/dbraw/zinc/80/17/48/572801748.db2.gz GKAHIGNZLYWMQF-QMMMGPOBSA-N 0 0 196.250 1.131 10 0 ADAERN COc1ccc2onc(CNO)c2c1 75068110 572801772 /nfs/dbraw/zinc/80/17/72/572801772.db2.gz YXLMAYLKSCEFEW-UHFFFAOYSA-N 0 0 194.190 1.315 10 0 ADAERN C[NH2+]CC(=O)c1cc(Cl)ccc1O 75068361 572801789 /nfs/dbraw/zinc/80/17/89/572801789.db2.gz ATXDSZMCTIOTCA-UHFFFAOYSA-N 0 0 199.637 1.448 10 0 ADAERN Oc1ccc(OC[C@@H]2CCOC2)cc1 49689640 572801796 /nfs/dbraw/zinc/80/17/96/572801796.db2.gz SZDDNVCWMBNPNN-SECBINFHSA-N 0 0 194.230 1.808 10 0 ADAERN CCC[C@H](O)C[C@H](CC)CO 117966512 572802760 /nfs/dbraw/zinc/80/27/60/572802760.db2.gz UBABJUZFZUFNHC-IUCAKERBSA-N 0 0 160.257 1.556 10 0 ADAERN COc1ccc2c(c1)OCCC(=O)C2 75068025 572801805 /nfs/dbraw/zinc/80/18/05/572801805.db2.gz RJJNUSFIHYYABE-UHFFFAOYSA-N 0 0 192.214 1.589 10 0 ADAERN CCc1c(N(C)C)cc(N)n1C 257570093 572801820 /nfs/dbraw/zinc/80/18/20/572801820.db2.gz SADDICHGQSYFGT-UHFFFAOYSA-N 0 0 167.256 1.236 10 0 ADAERN Nc1ccc(-c2ncco2)o1 257567361 572801823 /nfs/dbraw/zinc/80/18/23/572801823.db2.gz VFGPHBSZOBBOHM-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN CC(C)[C@@H]1Nc2[nH]ccc2NC1=O 257570041 572801827 /nfs/dbraw/zinc/80/18/27/572801827.db2.gz AXPLYHFPRQMNGA-ZETCQYMHSA-N 0 0 179.223 1.403 10 0 ADAERN CCC[NH2+][C@](C)(C(=O)[O-])[C@@H](C)CC 308132498 572801838 /nfs/dbraw/zinc/80/18/38/572801838.db2.gz FXZQUPKCZZLAEZ-WPRPVWTQSA-N 0 0 187.283 1.875 10 0 ADAERN C[C@@H]1CC(=O)CCN1C1CC1 49708982 572801840 /nfs/dbraw/zinc/80/18/40/572801840.db2.gz AMMQALMYCSGJJF-SSDOTTSWSA-N 0 0 153.225 1.202 10 0 ADAERN CONCc1ccc2c(c1)C[C@@H](C)O2 75068071 572801856 /nfs/dbraw/zinc/80/18/56/572801856.db2.gz WGXXCWMIFLRCBO-MRVPVSSYSA-N 0 0 193.246 1.661 10 0 ADAERN C[C@@H]1CC[C@H](C2=NC(C)(C)C(=O)N2)C1 235343120 572801870 /nfs/dbraw/zinc/80/18/70/572801870.db2.gz GJMGFKWIZKWTSN-SFYZADRCSA-N 0 0 194.278 1.730 10 0 ADAERN Cc1cc(N)c(N2CCC(=O)CC2)o1 257568842 572801883 /nfs/dbraw/zinc/80/18/83/572801883.db2.gz JJLYKERPSLVDMG-UHFFFAOYSA-N 0 0 194.234 1.340 10 0 ADAERN Cn1ccc(Cc2cnco2)c1N 257570257 572801895 /nfs/dbraw/zinc/80/18/95/572801895.db2.gz CWXKYVAKUOJDSE-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN Cc1sc(N)cc1N1CC[C@@H](O)C1 257567602 572801908 /nfs/dbraw/zinc/80/19/08/572801908.db2.gz AIFYNZJVGMVDFC-SSDOTTSWSA-N 0 0 198.291 1.210 10 0 ADAERN Cc1noc(C)c1Cc1ccc(N)[nH]1 257567375 572803219 /nfs/dbraw/zinc/80/32/19/572803219.db2.gz VWFPJJFDWJKVSF-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN Cc1oc(N)cc1N1CCCC1 257568641 572801927 /nfs/dbraw/zinc/80/19/27/572801927.db2.gz IHCFPHVPHLFWRH-UHFFFAOYSA-N 0 0 166.224 1.770 10 0 ADAERN CONCc1ccc2c(c1)COCC2 75068061 572801935 /nfs/dbraw/zinc/80/19/35/572801935.db2.gz YATYMYSRXACJCF-UHFFFAOYSA-N 0 0 193.246 1.410 10 0 ADAERN CCCc1[nH]c(N)cc1N(C)C 257568175 572803667 /nfs/dbraw/zinc/80/36/67/572803667.db2.gz FKZJCRWVDLUQKP-UHFFFAOYSA-N 0 0 167.256 1.615 10 0 ADAERN CONCc1cccc2c1COCO2 75068156 572803577 /nfs/dbraw/zinc/80/35/77/572803577.db2.gz XAFXOAXCLFSSQY-UHFFFAOYSA-N 0 0 195.218 1.204 10 0 ADAERN COc1ccc(C)c2c1NCC(=O)C2 75067994 572801963 /nfs/dbraw/zinc/80/19/63/572801963.db2.gz BXNDOWSLDAKZHU-UHFFFAOYSA-N 0 0 191.230 1.541 10 0 ADAERN CONCc1cn2ccc(C)cc2n1 75067996 572801984 /nfs/dbraw/zinc/80/19/84/572801984.db2.gz XRUJWFXBEOVTDP-UHFFFAOYSA-N 0 0 191.234 1.294 10 0 ADAERN CCc1cc(N)[nH]c1[NH+]1CCCC1 257568347 572801987 /nfs/dbraw/zinc/80/19/87/572801987.db2.gz GEBJVHGSCXHGJE-UHFFFAOYSA-N 0 0 179.267 1.760 10 0 ADAERN Cc1ccc(CC2(O)CN(C)C2)cc1 107135203 572801994 /nfs/dbraw/zinc/80/19/94/572801994.db2.gz FBOVFHSITGDHHK-UHFFFAOYSA-N 0 0 191.274 1.214 10 0 ADAERN CSc1c(N)coc1C 257566732 572801996 /nfs/dbraw/zinc/80/19/96/572801996.db2.gz IRSQVZTZGJZJRB-UHFFFAOYSA-N 0 0 143.211 1.892 10 0 ADAERN CN1CC(C)(C)Nc2c1ccn2C 257570582 572802001 /nfs/dbraw/zinc/80/20/01/572802001.db2.gz CGKKTBFBBLGDJF-UHFFFAOYSA-N 0 0 179.267 1.665 10 0 ADAERN CCOc1cnn(CCCCO)c1 308132503 572802031 /nfs/dbraw/zinc/80/20/31/572802031.db2.gz FYHHNEYDUYZBGG-UHFFFAOYSA-N 0 0 184.239 1.054 10 0 ADAERN COCCc1occ(N)c1SC 257566680 572802036 /nfs/dbraw/zinc/80/20/36/572802036.db2.gz HBVLWQHJXPULHQ-UHFFFAOYSA-N 0 0 187.264 1.773 10 0 ADAERN CC(=O)N1C[C@@H](C)Nc2[nH]ccc21 257570628 572802041 /nfs/dbraw/zinc/80/20/41/572802041.db2.gz DDFHZSBWUYLIMX-ZCFIWIBFSA-N 0 0 179.223 1.182 10 0 ADAERN Cc1cc(N)oc1N1CCC[C@@H](O)C1 257568599 572802050 /nfs/dbraw/zinc/80/20/50/572802050.db2.gz HWCSZSQWHGLKDO-MRVPVSSYSA-N 0 0 196.250 1.131 10 0 ADAERN Nc1ccc(Cc2ccncc2)[nH]1 257567428 572802055 /nfs/dbraw/zinc/80/20/55/572802055.db2.gz XWJLLWGOQCKEOH-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN Nc1ccc(-c2ncco2)s1 257567456 572802793 /nfs/dbraw/zinc/80/27/93/572802793.db2.gz ZDAWYGBXQMRMES-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN C[NH2+]CC(=O)c1ccc(OC)cc1F 75068238 572802105 /nfs/dbraw/zinc/80/21/05/572802105.db2.gz DIPHTGVTBMAITK-UHFFFAOYSA-N 0 0 197.209 1.236 10 0 ADAERN CC(C)CCNC(=O)C1=CCCO1 308132415 572802116 /nfs/dbraw/zinc/80/21/16/572802116.db2.gz BVAYAEPQFCLNGZ-UHFFFAOYSA-N 0 0 183.251 1.453 10 0 ADAERN CONCc1cccc2c1C[C@H](C)O2 75068065 572802146 /nfs/dbraw/zinc/80/21/46/572802146.db2.gz JULDQMBHSYDVGI-QMMMGPOBSA-N 0 0 193.246 1.661 10 0 ADAERN Cn1ccc(Cc2cncs2)c1N 257570682 572802154 /nfs/dbraw/zinc/80/21/54/572802154.db2.gz DOFBXZWSLPSHTF-UHFFFAOYSA-N 0 0 193.275 1.655 10 0 ADAERN CC(C)[C@H]1Nc2[nH]ccc2NC1=O 257570040 572802159 /nfs/dbraw/zinc/80/21/59/572802159.db2.gz AXPLYHFPRQMNGA-SSDOTTSWSA-N 0 0 179.223 1.403 10 0 ADAERN C[C@H](O)C(=O)OCC1(C)CCC1 307939919 572802180 /nfs/dbraw/zinc/80/21/80/572802180.db2.gz BGOWSGQUCQWVPA-ZETCQYMHSA-N 0 0 172.224 1.101 10 0 ADAERN Cc1n[nH]cc1Cc1ccn(C)c1N 257570680 572802208 /nfs/dbraw/zinc/80/22/08/572802208.db2.gz DMNSKTQTGLSAME-UHFFFAOYSA-N 0 0 190.250 1.230 10 0 ADAERN C[C@@H]1CCC[C@@H](C2=N[C@H](C)C(=O)N2)C1 235343637 572802246 /nfs/dbraw/zinc/80/22/46/572802246.db2.gz OHWBUBJKAYESDZ-IWSPIJDZSA-N 0 0 194.278 1.730 10 0 ADAERN CONCc1cccc2c1OCCC2 75068073 572802248 /nfs/dbraw/zinc/80/22/48/572802248.db2.gz LYNSMVSARLUDTD-UHFFFAOYSA-N 0 0 193.246 1.663 10 0 ADAERN Nc1ccc(Cc2ccco2)[nH]1 257567469 572802251 /nfs/dbraw/zinc/80/22/51/572802251.db2.gz ZRRMCTBRPFTINZ-UHFFFAOYSA-N 0 0 162.192 1.781 10 0 ADAERN Cn1ccc(Cc2ccccn2)c1N 257570262 572802254 /nfs/dbraw/zinc/80/22/54/572802254.db2.gz CYTQKUGSUQCFOC-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN C[C@H]1C[C@H]1CC(=O)OCCCF 307940236 572802257 /nfs/dbraw/zinc/80/22/57/572802257.db2.gz BKBJPKQLEOGFHG-YUMQZZPRSA-N 0 0 174.215 1.935 10 0 ADAERN Cc1cc(N)c(N2CCOCC2)o1 257567687 572802799 /nfs/dbraw/zinc/80/27/99/572802799.db2.gz BHJAMCJGJOPMQM-UHFFFAOYSA-N 0 0 182.223 1.007 10 0 ADAERN Cc1oc(N)cc1N(C)C 257569133 572802279 /nfs/dbraw/zinc/80/22/79/572802279.db2.gz LUAYJAGIODPTPU-UHFFFAOYSA-N 0 0 140.186 1.236 10 0 ADAERN Cc1cc(N)sc1N1CCOCC1 257570576 572802296 /nfs/dbraw/zinc/80/22/96/572802296.db2.gz VABSIKCSYTUGCF-UHFFFAOYSA-N 0 0 198.291 1.475 10 0 ADAERN CN(C)c1oc(CC2CC2)cc1N 257568036 572802310 /nfs/dbraw/zinc/80/23/10/572802310.db2.gz CYVAVSABSSBSEK-UHFFFAOYSA-N 0 0 180.251 1.880 10 0 ADAERN C[C@@H]1CN(C2CC2)CCC1=O 49693576 572802353 /nfs/dbraw/zinc/80/23/53/572802353.db2.gz PXEGFERARKBEQM-SSDOTTSWSA-N 0 0 153.225 1.060 10 0 ADAERN CC(=O)[C@H](C)OC(=O)C1(C)CC1 307940332 572802354 /nfs/dbraw/zinc/80/23/54/572802354.db2.gz BNNCWFFYYYDGCF-ZETCQYMHSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1cc(N)[nH]c1N1CCC(=O)CC1 257569123 572802370 /nfs/dbraw/zinc/80/23/70/572802370.db2.gz LPYJCZRSJYCKLG-UHFFFAOYSA-N 0 0 193.250 1.075 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)OCC(C)(C)F 307940300 572803673 /nfs/dbraw/zinc/80/36/73/572803673.db2.gz BLZKOWHENNQTTG-RNFRBKRXSA-N 0 0 174.215 1.934 10 0 ADAERN C[C@@]12CC=CC[C@@H]1C(=O)OC2 43761995 572802392 /nfs/dbraw/zinc/80/23/92/572802392.db2.gz AXYKEJBJRZLLQO-APPZFPTMSA-N 0 0 152.193 1.516 10 0 ADAERN Cn1cccc1-c1ccc(N)[nH]1 257567446 572802396 /nfs/dbraw/zinc/80/23/96/572802396.db2.gz YLQQSWKRSRMKFE-UHFFFAOYSA-N 0 0 161.208 1.602 10 0 ADAERN Cc1n[nH]cc1-c1ccc(N)o1 257567092 572802401 /nfs/dbraw/zinc/80/24/01/572802401.db2.gz PJWJTKBVZYZALD-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Nc1coc(CC2CC2)c1 257567441 572802417 /nfs/dbraw/zinc/80/24/17/572802417.db2.gz YFNOPKTXVSDYHV-UHFFFAOYSA-N 0 0 137.182 1.814 10 0 ADAERN CC(=O)N1C[C@H](C)Nc2[nH]ccc21 257570627 572802420 /nfs/dbraw/zinc/80/24/20/572802420.db2.gz DDFHZSBWUYLIMX-LURJTMIESA-N 0 0 179.223 1.182 10 0 ADAERN Nc1coc(Cc2cccnc2)c1 257567151 572802422 /nfs/dbraw/zinc/80/24/22/572802422.db2.gz QIGFWJYRPQATKR-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN COCCc1oc(N)cc1SC 257567235 572802429 /nfs/dbraw/zinc/80/24/29/572802429.db2.gz UGZIKYILVVZECG-UHFFFAOYSA-N 0 0 187.264 1.773 10 0 ADAERN CONCc1cc2c(F)cccc2[nH]1 75068112 572802430 /nfs/dbraw/zinc/80/24/30/572802430.db2.gz QDVGZQQKKHVHPM-UHFFFAOYSA-N 0 0 194.209 1.958 10 0 ADAERN COc1c(F)cccc1[C@H]([NH3+])CCO 75068348 572802434 /nfs/dbraw/zinc/80/24/34/572802434.db2.gz LRNYQSQWBOKPFU-SECBINFHSA-N 0 0 199.225 1.217 10 0 ADAERN CC(C)/C=C\C(=O)N(C)[C@@H](C)CO 308132393 572802435 /nfs/dbraw/zinc/80/24/35/572802435.db2.gz BUGASIVUXZXMCR-UDIARPCQSA-N 0 0 185.267 1.038 10 0 ADAERN Nc1coc(CC(F)(F)F)c1 257566709 572802442 /nfs/dbraw/zinc/80/24/42/572802442.db2.gz HXQYQKFFZJALIA-UHFFFAOYSA-N 0 0 165.114 1.967 10 0 ADAERN C[C@H]1CC(=O)CCN1C[C@@H]1CCCO1 49694023 572802452 /nfs/dbraw/zinc/80/24/52/572802452.db2.gz RXHYVHKZHHTTQW-ONGXEEELSA-N 0 0 197.278 1.219 10 0 ADAERN CONCc1cn2cccc(C)c2n1 75067997 572802455 /nfs/dbraw/zinc/80/24/55/572802455.db2.gz DDFQUKIOONRDBA-UHFFFAOYSA-N 0 0 191.234 1.294 10 0 ADAERN C[C@H](OC(=O)C(F)F)C1CCC1 307947316 572802457 /nfs/dbraw/zinc/80/24/57/572802457.db2.gz KTSXVFQSICHXNF-YFKPBYRVSA-N 0 0 178.178 1.983 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]12NC(=O)N=C2N 235352738 572802466 /nfs/dbraw/zinc/80/24/66/572802466.db2.gz ITABXIWMWKZLAH-LDWIPMOCSA-N 0 0 195.266 1.262 10 0 ADAERN C/C=C(\C)C(=O)NC[C@@H]1C[C@H]1C 307939589 572802476 /nfs/dbraw/zinc/80/24/76/572802476.db2.gz AZUSSPXTPKUTFP-CNTVWIKJSA-N 0 0 167.252 1.725 10 0 ADAERN Cc1cc(N)oc1N1CCC[C@H](O)C1 257568600 572802485 /nfs/dbraw/zinc/80/24/85/572802485.db2.gz HWCSZSQWHGLKDO-QMMMGPOBSA-N 0 0 196.250 1.131 10 0 ADAERN CONCc1cc2c(O)cccc2[nH]1 75068034 572802488 /nfs/dbraw/zinc/80/24/88/572802488.db2.gz CPMABSXYFVDEKT-UHFFFAOYSA-N 0 0 192.218 1.525 10 0 ADAERN C[C@@H]1CC(=O)CCN1CC(F)(F)F 49708434 572802492 /nfs/dbraw/zinc/80/24/92/572802492.db2.gz BLVNKXFSVVDDHA-ZCFIWIBFSA-N 0 0 195.184 1.602 10 0 ADAERN CONCc1sc(OC)nc1C 75067942 572802510 /nfs/dbraw/zinc/80/25/10/572802510.db2.gz CQFNSMGVEJXTCS-UHFFFAOYSA-N 0 0 188.252 1.111 10 0 ADAERN Nc1ccc(Cc2cccnc2)[nH]1 257567240 572802538 /nfs/dbraw/zinc/80/25/38/572802538.db2.gz UKXFAWGABCNJRY-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN CCc1oc(N)cc1N1CCOCC1 257568115 572802546 /nfs/dbraw/zinc/80/25/46/572802546.db2.gz DUSIVMDOAPHEEN-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN Nc1ccc(-c2ccon2)o1 257566820 572802550 /nfs/dbraw/zinc/80/25/50/572802550.db2.gz MIDABWRCYZWWSN-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN C[C@@H](CO)CN(C)c1nccs1 307939635 572802556 /nfs/dbraw/zinc/80/25/56/572802556.db2.gz BBZJZJFBSPXDEW-SSDOTTSWSA-N 0 0 186.280 1.208 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]12OC(N)=NC2=O 235352970 572802625 /nfs/dbraw/zinc/80/26/25/572802625.db2.gz BINHWJNAEFXECD-LDWIPMOCSA-N 0 0 196.250 1.053 10 0 ADAERN Cc1ncoc1Cc1ccn(C)c1N 257570066 572802638 /nfs/dbraw/zinc/80/26/38/572802638.db2.gz BJJVDDPHYFALRJ-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN Nc1ccc(Cc2ccccn2)[nH]1 257566793 572802677 /nfs/dbraw/zinc/80/26/77/572802677.db2.gz LJHBBTSEVXPXST-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN Cc1oc(N)cc1N1CCC(=O)CC1 257567844 572802651 /nfs/dbraw/zinc/80/26/51/572802651.db2.gz CCOSECGIKAPZNU-UHFFFAOYSA-N 0 0 194.234 1.340 10 0 ADAERN COc1cc(O)ccc1-c1cc[nH]n1 75067953 572802652 /nfs/dbraw/zinc/80/26/52/572802652.db2.gz JKGNGKBSTYLDKA-UHFFFAOYSA-N 0 0 190.202 1.791 10 0 ADAERN COC(=O)C=CN[C@H]1CC[C@H](C)C1 234595000 572802662 /nfs/dbraw/zinc/80/26/62/572802662.db2.gz CLJALMOCGRWVAP-MUNZNRDXSA-N 0 0 183.251 1.451 10 0 ADAERN Nc1coc(Cc2ccccn2)c1 257567072 572802671 /nfs/dbraw/zinc/80/26/71/572802671.db2.gz PDWSLYQJMOWAOI-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN COC(=O)C=CNCC(C)(C)C 307939682 572802689 /nfs/dbraw/zinc/80/26/89/572802689.db2.gz UPLCTDDPWUPVNQ-WAYWQWQTSA-N 0 0 171.240 1.309 10 0 ADAERN CC(=O)OCSC1CCOCC1 307940225 572802753 /nfs/dbraw/zinc/80/27/53/572802753.db2.gz BJMVITKHLSBCLE-UHFFFAOYSA-N 0 0 190.264 1.419 10 0 ADAERN CC(C)/C=C\C(=O)N(C)[C@H](C)CO 308132392 572802766 /nfs/dbraw/zinc/80/27/66/572802766.db2.gz BUGASIVUXZXMCR-SSJHQANKSA-N 0 0 185.267 1.038 10 0 ADAERN CONCc1cccc2nc(C)oc12 75068038 572802781 /nfs/dbraw/zinc/80/27/81/572802781.db2.gz WLBUIVYSABWDKO-UHFFFAOYSA-N 0 0 192.218 1.787 10 0 ADAERN Cn1cccc1-c1ccc(N)n1C 257566493 572802783 /nfs/dbraw/zinc/80/27/83/572802783.db2.gz DBQLBYCCPHNYQQ-UHFFFAOYSA-N 0 0 175.235 1.613 10 0 ADAERN Cc1cc(N)c(N2CCC[C@@H](O)C2)o1 257568373 572802784 /nfs/dbraw/zinc/80/27/84/572802784.db2.gz GKAHIGNZLYWMQF-MRVPVSSYSA-N 0 0 196.250 1.131 10 0 ADAERN Cc1cc(N)sc1N(C)C 257568170 572802805 /nfs/dbraw/zinc/80/28/05/572802805.db2.gz FJNSLRPFUYBDPM-UHFFFAOYSA-N 0 0 156.254 1.705 10 0 ADAERN CN(C)c1oc(N)cc1CC1CC1 257568880 572802821 /nfs/dbraw/zinc/80/28/21/572802821.db2.gz JWHNQDXIZKMSOZ-UHFFFAOYSA-N 0 0 180.251 1.880 10 0 ADAERN CCN(CC)c1cc(N)n(C)c1C 257568974 572802835 /nfs/dbraw/zinc/80/28/35/572802835.db2.gz LBKGGTJANWQQLH-UHFFFAOYSA-N 0 0 181.283 1.762 10 0 ADAERN CC(=O)O[C@@H](C)C(C)(C)[C@@H](C)O 307940006 572802844 /nfs/dbraw/zinc/80/28/44/572802844.db2.gz VQGOYEKXPZJJQM-RQJHMYQMSA-N 0 0 174.240 1.345 10 0 ADAERN COc1cc2cc[nH]c2cc1CNO 75068037 572802852 /nfs/dbraw/zinc/80/28/52/572802852.db2.gz IIRLHMJSURESIL-UHFFFAOYSA-N 0 0 192.218 1.655 10 0 ADAERN Nc1ccc(CCc2ccncc2)[nH]1 257566656 572802873 /nfs/dbraw/zinc/80/28/73/572802873.db2.gz GMLFQGWSMZIPIZ-UHFFFAOYSA-N 0 0 187.246 1.777 10 0 ADAERN CC(=O)C(N=O)C(=O)OC(C)(C)C 307939798 572802892 /nfs/dbraw/zinc/80/28/92/572802892.db2.gz VQEIZROURYGRDI-AATRIKPKSA-N 0 0 187.195 1.884 10 0 ADAERN Nc1ccc(-c2cnco2)o1 257567114 572802910 /nfs/dbraw/zinc/80/29/10/572802910.db2.gz PUDGAHLVELWQNV-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN CC(=O)C(N=O)C(=O)OC(C)(C)C 307939799 572802912 /nfs/dbraw/zinc/80/29/12/572802912.db2.gz VQEIZROURYGRDI-WAYWQWQTSA-N 0 0 187.195 1.884 10 0 ADAERN CONCc1ccc2c(c1)OCOC2 75068155 572802917 /nfs/dbraw/zinc/80/29/17/572802917.db2.gz SVKMLLBFFDUQSE-UHFFFAOYSA-N 0 0 195.218 1.204 10 0 ADAERN CONCc1coc2c(O)cccc12 75068050 572802968 /nfs/dbraw/zinc/80/29/68/572802968.db2.gz XPFTXBJNYPBMPM-UHFFFAOYSA-N 0 0 193.202 1.789 10 0 ADAERN CCCCC/C=C(\CO)[C@H](C)O 307940519 572802991 /nfs/dbraw/zinc/80/29/91/572802991.db2.gz WWMHICDTPKSVJG-HZAKCSEPSA-N 0 0 172.268 1.866 10 0 ADAERN C[C@@H]1CC(=O)CCN1Cc1ccco1 49708500 572803041 /nfs/dbraw/zinc/80/30/41/572803041.db2.gz WXGJHIGYCIVHQL-SECBINFHSA-N 0 0 193.246 1.833 10 0 ADAERN Cc1[nH]c(N)cc1N1CCC(=O)CC1 257568820 572803053 /nfs/dbraw/zinc/80/30/53/572803053.db2.gz JEFSZYHGPHSNLP-UHFFFAOYSA-N 0 0 193.250 1.075 10 0 ADAERN CCCC[N@@H+]1CCC(=O)C[C@H]1C 49707358 572803054 /nfs/dbraw/zinc/80/30/54/572803054.db2.gz IIUVDWFWKFDMTH-SECBINFHSA-N 0 0 169.268 1.840 10 0 ADAERN Nc1[nH]ccc1Cc1ccco1 257570037 572803055 /nfs/dbraw/zinc/80/30/55/572803055.db2.gz AVLBRXINVMZMKY-UHFFFAOYSA-N 0 0 162.192 1.781 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)C(F)(F)F 235346958 572803117 /nfs/dbraw/zinc/80/31/17/572803117.db2.gz MTUVYYUJVGXDKE-WHFBIAKZSA-N 0 0 186.198 1.805 10 0 ADAERN COc1cc(OC)cc(OCO)c1 118022606 572803119 /nfs/dbraw/zinc/80/31/19/572803119.db2.gz JVCCYTKVOKZFOH-UHFFFAOYSA-N 0 0 184.191 1.032 10 0 ADAERN CONCc1ccc2[nH]ccc2c1F 75068114 572803109 /nfs/dbraw/zinc/80/31/09/572803109.db2.gz BPHKOGLNLARIED-UHFFFAOYSA-N 0 0 194.209 1.958 10 0 ADAERN CCc1cc(N)n(C)c1[NH+](C)C 257568171 572803188 /nfs/dbraw/zinc/80/31/88/572803188.db2.gz FKDWWFUDHVYGEK-UHFFFAOYSA-N 0 0 167.256 1.236 10 0 ADAERN C/C=C\C(=O)N1CC[C@H]1C(C)C 307939857 572803200 /nfs/dbraw/zinc/80/32/00/572803200.db2.gz BDOOZOHBDVXGQX-WBSSQXGSSA-N 0 0 167.252 1.819 10 0 ADAERN Cc1cc(-c2ccc(N)o2)n(C)n1 257567455 572803203 /nfs/dbraw/zinc/80/32/03/572803203.db2.gz ZBVYRHOVPJEXKQ-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN C[C@H]1CN(Cc2ccco2)CCC1=O 49693551 572803212 /nfs/dbraw/zinc/80/32/12/572803212.db2.gz XGKVETCFTKIDOZ-VIFPVBQESA-N 0 0 193.246 1.691 10 0 ADAERN CSc1cc(C)c(N)[nH]1 257570275 572803243 /nfs/dbraw/zinc/80/32/43/572803243.db2.gz DAOIJUGLAFIOOZ-UHFFFAOYSA-N 0 0 142.227 1.627 10 0 ADAERN COc1cccc2[nH]c(CNO)cc12 75068033 572803298 /nfs/dbraw/zinc/80/32/98/572803298.db2.gz RZDHUKZZZOZCSH-UHFFFAOYSA-N 0 0 192.218 1.655 10 0 ADAERN C[C@H](OC(=O)C1CC1)C(F)(F)F 307947481 572803321 /nfs/dbraw/zinc/80/33/21/572803321.db2.gz KZESQVSLUGBDHY-BYPYZUCNSA-N 0 0 182.141 1.890 10 0 ADAERN C/C=C(\C)C(=O)NC[C@@H]1C[C@@H]1C 307939591 572803350 /nfs/dbraw/zinc/80/33/50/572803350.db2.gz AZUSSPXTPKUTFP-DTHNXCEOSA-N 0 0 167.252 1.725 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]1(O)CO 235342796 572803360 /nfs/dbraw/zinc/80/33/60/572803360.db2.gz BNMLIXOCHVRPQU-APPZFPTMSA-N 0 0 158.241 1.166 10 0 ADAERN CC(C)/C=C/C(=O)N(C)[C@@H](C)CO 308132391 572803399 /nfs/dbraw/zinc/80/33/99/572803399.db2.gz BUGASIVUXZXMCR-CYNONHLPSA-N 0 0 185.267 1.038 10 0 ADAERN Cc1oc(N)cc1N1CCC[C@H](O)C1 257568913 572803432 /nfs/dbraw/zinc/80/34/32/572803432.db2.gz KDOBKGGJGVYNEB-QMMMGPOBSA-N 0 0 196.250 1.131 10 0 ADAERN CC(C)C[C@@H](C)[C@@H](O)[C@@H](C)CO 307940521 572803454 /nfs/dbraw/zinc/80/34/54/572803454.db2.gz WXMGBHWNQAMATJ-KXUCPTDWSA-N 0 0 174.284 1.658 10 0 ADAERN CONCc1ccc2c(c1)O[C@@H](C)C2 75068067 572803480 /nfs/dbraw/zinc/80/34/80/572803480.db2.gz STBHSOHKKCXNCP-QMMMGPOBSA-N 0 0 193.246 1.661 10 0 ADAERN CONCc1ccc2ncsc2c1 75068126 572803520 /nfs/dbraw/zinc/80/35/20/572803520.db2.gz XIWVBCZPTVJLPI-UHFFFAOYSA-N 0 0 194.259 1.947 10 0 ADAERN Cc1oc(N)cc1N1CCC[C@@H](O)C1 257568912 572803530 /nfs/dbraw/zinc/80/35/30/572803530.db2.gz KDOBKGGJGVYNEB-MRVPVSSYSA-N 0 0 196.250 1.131 10 0 ADAERN CC1(C[NH2+]C/C=C\C(=O)[O-])CC1 307940691 572803531 /nfs/dbraw/zinc/80/35/31/572803531.db2.gz NATKTQWOQCYDSM-IHWYPQMZSA-N 0 0 169.224 1.017 10 0 ADAERN Cc1cc(-c2ccc(N)o2)nn1C 257566621 572803545 /nfs/dbraw/zinc/80/35/45/572803545.db2.gz FXROMARKHYIUBZ-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CC(C)/C=C/C(=O)N(C)[C@H](C)CO 308132394 572803574 /nfs/dbraw/zinc/80/35/74/572803574.db2.gz BUGASIVUXZXMCR-VUHVRTRXSA-N 0 0 185.267 1.038 10 0 ADAERN C[C@@H](OC(=O)C1CC1)C(F)(F)F 307947483 572803589 /nfs/dbraw/zinc/80/35/89/572803589.db2.gz KZESQVSLUGBDHY-SCSAIBSYSA-N 0 0 182.141 1.890 10 0 ADAERN C/C=C\C(=O)N1CC[C@@H]1C(C)C 307939858 572803593 /nfs/dbraw/zinc/80/35/93/572803593.db2.gz BDOOZOHBDVXGQX-XRVBUDJMSA-N 0 0 167.252 1.819 10 0 ADAERN C[C@@H](OC(=O)C(F)F)C1CCC1 307947315 572803605 /nfs/dbraw/zinc/80/36/05/572803605.db2.gz KTSXVFQSICHXNF-RXMQYKEDSA-N 0 0 178.178 1.983 10 0 ADAERN CN1CC(=O)Cc2cccc(Cl)c21 75068204 572803607 /nfs/dbraw/zinc/80/36/07/572803607.db2.gz XWGUTTVBVSWJDT-UHFFFAOYSA-N 0 0 195.649 1.901 10 0 ADAERN CCCc1cc(N)co1 257567355 572803621 /nfs/dbraw/zinc/80/36/21/572803621.db2.gz UZJJSKCRUUDZGY-UHFFFAOYSA-N 0 0 125.171 1.814 10 0 ADAERN Cc1cc(N)n(C)c1[NH+]1CCCCC1 257570150 572803624 /nfs/dbraw/zinc/80/36/24/572803624.db2.gz SSZCVTSXIUQVBW-UHFFFAOYSA-N 0 0 193.294 1.906 10 0 ADAERN C[C@H]1C[C@@H]1CC(=O)OCCCF 307940232 572803627 /nfs/dbraw/zinc/80/36/27/572803627.db2.gz BKBJPKQLEOGFHG-JGVFFNPUSA-N 0 0 174.215 1.935 10 0 ADAERN Nc1ccc(CCc2cccnc2)[nH]1 257566821 572803629 /nfs/dbraw/zinc/80/36/29/572803629.db2.gz MIIXZIOBGYBLIP-UHFFFAOYSA-N 0 0 187.246 1.777 10 0 ADAERN C[C@@H]1C[C@@H]1CC(=O)OCCCF 307940231 572803630 /nfs/dbraw/zinc/80/36/30/572803630.db2.gz BKBJPKQLEOGFHG-HTQZYQBOSA-N 0 0 174.215 1.935 10 0 ADAERN CCCCC/C=C(\CO)[C@@H](C)O 307940520 572803654 /nfs/dbraw/zinc/80/36/54/572803654.db2.gz WWMHICDTPKSVJG-YIXGCBLDSA-N 0 0 172.268 1.866 10 0 ADAERN Cn1c(N)cc(CC2CC2)c1[NH+](C)C 257567630 572803655 /nfs/dbraw/zinc/80/36/55/572803655.db2.gz AQMFHZQEGVOTCM-UHFFFAOYSA-N 0 0 193.294 1.626 10 0 ADAERN CONCc1ccc2c(C)noc2c1 75068029 572803684 /nfs/dbraw/zinc/80/36/84/572803684.db2.gz UWCJZKZMMGMIEI-UHFFFAOYSA-N 0 0 192.218 1.787 10 0 ADAERN C=C=C[C@H](O)/C=C\c1ccco1 307939957 572803699 /nfs/dbraw/zinc/80/36/99/572803699.db2.gz VIFFSQGRNGSVBJ-NMTCXDENSA-N 0 0 162.188 1.995 10 0 ADAERN Cc1oc(N)cc1N1CCC(O)CC1 257568293 572803703 /nfs/dbraw/zinc/80/37/03/572803703.db2.gz FRLRAPIDYYCSBP-UHFFFAOYSA-N 0 0 196.250 1.131 10 0 ADAERN COc1cc2c(cc1CNO)OCC2 75068154 572803709 /nfs/dbraw/zinc/80/37/09/572803709.db2.gz SZESAEGRJGGSPZ-UHFFFAOYSA-N 0 0 195.218 1.109 10 0 ADAERN CCONCc1ccnc(Cl)c1 307939810 572803710 /nfs/dbraw/zinc/80/37/10/572803710.db2.gz VTJYGQORYZWBER-UHFFFAOYSA-N 0 0 186.642 1.776 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)C1(C)CC1 307940331 572803754 /nfs/dbraw/zinc/80/37/54/572803754.db2.gz BNNCWFFYYYDGCF-SSDOTTSWSA-N 0 0 170.208 1.307 10 0 ADAERN CONCc1cc2ccc(F)cc2[nH]1 75068111 572803712 /nfs/dbraw/zinc/80/37/12/572803712.db2.gz PZDWNZJWVOSCGU-UHFFFAOYSA-N 0 0 194.209 1.958 10 0 ADAERN Cc1coc(-c2ccc(N)o2)n1 257567250 572803714 /nfs/dbraw/zinc/80/37/14/572803714.db2.gz UXLIDGRSTXAVSL-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cc1[nH]c(N)cc1N1CCCC1 257567856 572803719 /nfs/dbraw/zinc/80/37/19/572803719.db2.gz CFOUKWAVWVOPLT-UHFFFAOYSA-N 0 0 165.240 1.506 10 0 ADAERN CC[NH+](CC)c1c(C)cc(N)n1C 257567776 572803722 /nfs/dbraw/zinc/80/37/22/572803722.db2.gz BHLXKKKLWPZLGO-UHFFFAOYSA-N 0 0 181.283 1.762 10 0 ADAERN COc1cccc(-c2cc[nH]n2)c1O 75067954 572803725 /nfs/dbraw/zinc/80/37/25/572803725.db2.gz FDISSUBMIZPKGY-UHFFFAOYSA-N 0 0 190.202 1.791 10 0 ADAERN Nc1[nH]ccc1CCc1cscn1 257570232 572803732 /nfs/dbraw/zinc/80/37/32/572803732.db2.gz CPVKXCCGVFJMPD-UHFFFAOYSA-N 0 0 193.275 1.839 10 0 ADAERN C=C=C[C@@H](O)/C=C\c1ccco1 307939956 572803734 /nfs/dbraw/zinc/80/37/34/572803734.db2.gz VIFFSQGRNGSVBJ-ATJFRQLMSA-N 0 0 162.188 1.995 10 0 ADAERN Cc1n[nH]cc1Cc1cc[nH]c1N 257570197 572803735 /nfs/dbraw/zinc/80/37/35/572803735.db2.gz BVKQNGVCHWLZSP-UHFFFAOYSA-N 0 0 176.223 1.219 10 0 ADAERN CONCc1cccc2c1OCOC2 75068157 572803761 /nfs/dbraw/zinc/80/37/61/572803761.db2.gz JNTDYXKILDEZQM-UHFFFAOYSA-N 0 0 195.218 1.204 10 0 ADAERN CCC[C@H](O)C[C@@H](CC)CO 117966508 572803777 /nfs/dbraw/zinc/80/37/77/572803777.db2.gz UBABJUZFZUFNHC-BDAKNGLRSA-N 0 0 160.257 1.556 10 0 ADAERN O[C@@H](CC1CCC1)[C@H](O)C1CC1 236514008 572803800 /nfs/dbraw/zinc/80/38/00/572803800.db2.gz MJIGGMLPNKTPHF-VHSXEESVSA-N 0 0 170.252 1.308 10 0 ADAERN CC(C)C(C)(C)SC[C@@H](O)CO 308132677 572804243 /nfs/dbraw/zinc/80/42/43/572804243.db2.gz YJROUFUGEXHEJU-QMMMGPOBSA-N 0 0 192.324 1.507 10 0 ADAERN CONCc1cccc2c1CCOC2 75068060 572803814 /nfs/dbraw/zinc/80/38/14/572803814.db2.gz WTTPHZAGORWMIX-UHFFFAOYSA-N 0 0 193.246 1.410 10 0 ADAERN CCN(CC)c1cc(N)[nH]c1C 257567619 572803816 /nfs/dbraw/zinc/80/38/16/572803816.db2.gz ANDUJIMCZFSTJO-UHFFFAOYSA-N 0 0 167.256 1.752 10 0 ADAERN CC[C@@H](C)[C@H](CO)NCC(F)F 307947382 572803824 /nfs/dbraw/zinc/80/38/24/572803824.db2.gz KXBSTDWUISIXJJ-RQJHMYQMSA-N 0 0 181.226 1.248 10 0 ADAERN Cc1cc(N)oc1N1CCOCC1 257570147 572803838 /nfs/dbraw/zinc/80/38/38/572803838.db2.gz SRSLAPGYSCVVPE-UHFFFAOYSA-N 0 0 182.223 1.007 10 0 ADAERN CONCc1cccc2c1C[C@@H](C)O2 75068064 572803854 /nfs/dbraw/zinc/80/38/54/572803854.db2.gz JULDQMBHSYDVGI-MRVPVSSYSA-N 0 0 193.246 1.661 10 0 ADAERN C[C@@H]1C(=O)Nc2c(csc2N)N1C 257570777 572804246 /nfs/dbraw/zinc/80/42/46/572804246.db2.gz GKDHMCIOZUPXGP-SCSAIBSYSA-N 0 0 197.263 1.107 10 0 ADAERN CONCc1ccc2[nH]c(C)nc2c1 75068006 572803862 /nfs/dbraw/zinc/80/38/62/572803862.db2.gz NXHREAXFHSQOOM-UHFFFAOYSA-N 0 0 191.234 1.522 10 0 ADAERN C/C=C(/C)[C@H](O)[C@H](C)C(=O)OC 307940183 572803937 /nfs/dbraw/zinc/80/39/37/572803937.db2.gz MMFMXACQCIQBIK-WXSHZEGDSA-N 0 0 172.224 1.123 10 0 ADAERN CC1=C[C@@H]2CC[C@H](O)[C@H]12 43761748 572804256 /nfs/dbraw/zinc/80/42/56/572804256.db2.gz SXEOYWIRTJZBNT-BIIVOSGPSA-N 0 0 124.183 1.333 10 0 ADAERN C[C@H]1C(=O)Nc2c(csc2N)N1C 257570776 572804259 /nfs/dbraw/zinc/80/42/59/572804259.db2.gz GKDHMCIOZUPXGP-BYPYZUCNSA-N 0 0 197.263 1.107 10 0 ADAERN C[C@@H](O)C(=O)OCC1(C)CCC1 307939918 572804028 /nfs/dbraw/zinc/80/40/28/572804028.db2.gz BGOWSGQUCQWVPA-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN C/C=C/C(=O)OCCCC(C)=O 307940327 572804039 /nfs/dbraw/zinc/80/40/39/572804039.db2.gz BNKLCMMLKUZOOX-HWKANZROSA-N 0 0 170.208 1.475 10 0 ADAERN CC[C@H](C)[C@@H](CO)NCC(F)F 307947380 572804264 /nfs/dbraw/zinc/80/42/64/572804264.db2.gz KXBSTDWUISIXJJ-NKWVEPMBSA-N 0 0 181.226 1.248 10 0 ADAERN O=C1CCCC=CC[C@@H](CO)O1 307940003 572804099 /nfs/dbraw/zinc/80/40/99/572804099.db2.gz VPYUIGAQJZHEPW-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN CONCc1cccc2c1O[C@H](C)C2 75068068 572804100 /nfs/dbraw/zinc/80/41/00/572804100.db2.gz BYVNHGHYBONPKN-MRVPVSSYSA-N 0 0 193.246 1.661 10 0 ADAERN CONCc1cccc2ncc(C)n12 75067998 572804105 /nfs/dbraw/zinc/80/41/05/572804105.db2.gz KAPPUZJJTXIGHI-UHFFFAOYSA-N 0 0 191.234 1.294 10 0 ADAERN c1cc2c3c(c1)OCCN3CC2 49804748 572804113 /nfs/dbraw/zinc/80/41/13/572804113.db2.gz RKUYSBGSRSURLZ-UHFFFAOYSA-N 0 0 161.204 1.442 10 0 ADAERN C[C@H]1C[C@H](C)CCN1C(=O)C(F)F 235262693 572804146 /nfs/dbraw/zinc/80/41/46/572804146.db2.gz LLOIKZLLZUFSFV-RQJHMYQMSA-N 0 0 191.221 1.899 10 0 ADAERN CC[C@@H](C)N(CCCOC)OC 307939942 572804184 /nfs/dbraw/zinc/80/41/84/572804184.db2.gz BIBWYRCRHBSUFU-SECBINFHSA-N 0 0 175.272 1.685 10 0 ADAERN ONCc1n[nH]c2ccc(Cl)cc12 75068276 572804276 /nfs/dbraw/zinc/80/42/76/572804276.db2.gz NSVGBOQOTULNQQ-UHFFFAOYSA-N 0 0 197.625 1.695 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)OCCCF 307940234 572804202 /nfs/dbraw/zinc/80/42/02/572804202.db2.gz BKBJPKQLEOGFHG-SFYZADRCSA-N 0 0 174.215 1.935 10 0 ADAERN Nc1[nH]ccc1Cc1ccon1 257570766 572804231 /nfs/dbraw/zinc/80/42/31/572804231.db2.gz GDNWPEUWSLHLAG-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN CCSCCC(=O)OCC(C)=O 307940422 572804233 /nfs/dbraw/zinc/80/42/33/572804233.db2.gz WOZUVQOIYVHOCG-UHFFFAOYSA-N 0 0 190.264 1.262 10 0 ADAERN CONCc1coc2ccc(O)cc12 75068049 572804235 /nfs/dbraw/zinc/80/42/35/572804235.db2.gz NPIDHKKDHOBVBR-UHFFFAOYSA-N 0 0 193.202 1.789 10 0 ADAERN CONCc1cccc2c1O[C@H](C)O2 75068146 572804238 /nfs/dbraw/zinc/80/42/38/572804238.db2.gz LSFUGJDWRTYVPE-SSDOTTSWSA-N 0 0 195.218 1.455 10 0 ADAERN CCC[C@@H](O)C[C@H](CC)CO 117966510 572804282 /nfs/dbraw/zinc/80/42/82/572804282.db2.gz UBABJUZFZUFNHC-DTWKUNHWSA-N 0 0 160.257 1.556 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)OCC(C)(C)F 307940297 572804283 /nfs/dbraw/zinc/80/42/83/572804283.db2.gz BLZKOWHENNQTTG-BQBZGAKWSA-N 0 0 174.215 1.934 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)[C@@H]1CCOC1 235353672 572804286 /nfs/dbraw/zinc/80/42/86/572804286.db2.gz NKDIJYIEDXVESG-YIZRAAEISA-N 0 0 188.292 1.279 10 0 ADAERN Nc1[nH]ccc1Cc1ccccn1 257570722 572804289 /nfs/dbraw/zinc/80/42/89/572804289.db2.gz FINLNGIKVGRMQK-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN Cc1c(N2CCCC2)cc(N)n1C 257570814 572804303 /nfs/dbraw/zinc/80/43/03/572804303.db2.gz VLDQAORDMRYCKB-UHFFFAOYSA-N 0 0 179.267 1.516 10 0 ADAERN CC(C)[C@@H](C)[NH2+]C/C=C\C(=O)[O-] 307940034 572804305 /nfs/dbraw/zinc/80/43/05/572804305.db2.gz VYARNAIVDPQQEI-PULIVWKDSA-N 0 0 171.240 1.261 10 0 ADAERN Nc1[nH]ccc1Cc1cncs1 257570744 572804314 /nfs/dbraw/zinc/80/43/14/572804314.db2.gz FUDPAWUXCPJVAH-UHFFFAOYSA-N 0 0 179.248 1.644 10 0 ADAERN CC[C@@H](C)[C@@H](CO)NCC(F)F 307947381 572804325 /nfs/dbraw/zinc/80/43/25/572804325.db2.gz KXBSTDWUISIXJJ-RNFRBKRXSA-N 0 0 181.226 1.248 10 0 ADAERN CONCc1cccc2c1O[C@@H](C)O2 75068147 572804331 /nfs/dbraw/zinc/80/43/31/572804331.db2.gz LSFUGJDWRTYVPE-ZETCQYMHSA-N 0 0 195.218 1.455 10 0 ADAERN CC[C@H](C)N(CCCOC)OC 307939943 572804333 /nfs/dbraw/zinc/80/43/33/572804333.db2.gz BIBWYRCRHBSUFU-VIFPVBQESA-N 0 0 175.272 1.685 10 0 ADAERN C/C=C\C(=O)OCCCC(C)=O 307940328 572804357 /nfs/dbraw/zinc/80/43/57/572804357.db2.gz BNKLCMMLKUZOOX-HYXAFXHYSA-N 0 0 170.208 1.475 10 0 ADAERN CC(=O)O[C@@H](C)C(C)(C)[C@H](C)O 307940005 572804363 /nfs/dbraw/zinc/80/43/63/572804363.db2.gz VQGOYEKXPZJJQM-BQBZGAKWSA-N 0 0 174.240 1.345 10 0 ADAERN COc1cc(F)ccc1[C@@H]([NH3+])CCO 75068341 572804373 /nfs/dbraw/zinc/80/43/73/572804373.db2.gz HKTDOSUFQPFWOW-VIFPVBQESA-N 0 0 199.225 1.217 10 0 ADAERN C/C=C(/C)[C@@H](O)[C@H](C)C(=O)OC 307940182 572804380 /nfs/dbraw/zinc/80/43/80/572804380.db2.gz MMFMXACQCIQBIK-HFFNOEQQSA-N 0 0 172.224 1.123 10 0 ADAERN CC/C=C/c1nnc(COC)o1 307940660 572804386 /nfs/dbraw/zinc/80/43/86/572804386.db2.gz BVGNQHZLEBDJKU-SNAWJCMRSA-N 0 0 168.196 1.639 10 0 ADAERN CC/C=C\c1nnc(COC)o1 307940659 572804391 /nfs/dbraw/zinc/80/43/91/572804391.db2.gz BVGNQHZLEBDJKU-PLNGDYQASA-N 0 0 168.196 1.639 10 0 ADAERN CONCc1cccc2ncsc12 75068127 572804414 /nfs/dbraw/zinc/80/44/14/572804414.db2.gz VARGIKGOWFWVEF-UHFFFAOYSA-N 0 0 194.259 1.947 10 0 ADAERN C[C@H]1C[C@H]1C(=O)OCC(C)(C)F 307940298 572804423 /nfs/dbraw/zinc/80/44/23/572804423.db2.gz BLZKOWHENNQTTG-NKWVEPMBSA-N 0 0 174.215 1.934 10 0 ADAERN O[C@@H](CC1CC1)[C@@H](O)c1ccccc1 236513150 572804478 /nfs/dbraw/zinc/80/44/78/572804478.db2.gz OLOQZFYNQXHCDT-RYUDHWBXSA-N 0 0 192.258 1.881 10 0 ADAERN OCc1cc(F)ccc1OCCF 236517819 572804496 /nfs/dbraw/zinc/80/44/96/572804496.db2.gz LSKSOHWGDQLYME-UHFFFAOYSA-N 0 0 188.173 1.666 10 0 ADAERN CC(C)[C@H](C)[NH2+]C/C=C\C(=O)[O-] 307940033 572804501 /nfs/dbraw/zinc/80/45/01/572804501.db2.gz VYARNAIVDPQQEI-LGYSABEFSA-N 0 0 171.240 1.261 10 0 ADAERN CCOC(=O)/C=C(\C)[C@H](C)CO 307940479 572804510 /nfs/dbraw/zinc/80/45/10/572804510.db2.gz WFWCNTFQDSUCKA-WVXIBAHESA-N 0 0 172.224 1.124 10 0 ADAERN CONCc1ccc2c(c1)OCCC2 75068070 572804523 /nfs/dbraw/zinc/80/45/23/572804523.db2.gz KSSXGAQPHFQLLF-UHFFFAOYSA-N 0 0 193.246 1.663 10 0 ADAERN CONCc1c(C)cc(C)cc1OC 75068174 572804564 /nfs/dbraw/zinc/80/45/64/572804564.db2.gz WENLBUSGROLXDY-UHFFFAOYSA-N 0 0 195.262 1.963 10 0 ADAERN Cc1n[nH]c(C)c1-c1ccc(N)n1C 257583883 572804589 /nfs/dbraw/zinc/80/45/89/572804589.db2.gz SGJLFNVNIXXQOQ-UHFFFAOYSA-N 0 0 190.250 1.614 10 0 ADAERN Cc1coc(Cc2cc[nH]c2N)n1 257572801 572804595 /nfs/dbraw/zinc/80/45/95/572804595.db2.gz PYZHTBXDBOYISF-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN CONCc1cccc2c1CCN2C 75068043 572804598 /nfs/dbraw/zinc/80/45/98/572804598.db2.gz AHHVAZCXJHVVJF-UHFFFAOYSA-N 0 0 192.262 1.330 10 0 ADAERN [NH3+]CCC(=O)c1cccc(Cl)c1O 75068358 572804613 /nfs/dbraw/zinc/80/46/13/572804613.db2.gz MDUSAVLRTDIIKE-UHFFFAOYSA-N 0 0 199.637 1.577 10 0 ADAERN CONCc1ccc2cnn(C)c2c1 75068003 572804627 /nfs/dbraw/zinc/80/46/27/572804627.db2.gz QZUMYWQRXCZQCP-UHFFFAOYSA-N 0 0 191.234 1.224 10 0 ADAERN C[C@H](NNC(N)=S)c1ccccc1 71331435 572804628 /nfs/dbraw/zinc/80/46/28/572804628.db2.gz HEALWZXJXQFSGE-ZETCQYMHSA-N 0 0 195.291 1.085 10 0 ADAERN CCOC(=O)/C=C(/C)[C@H](C)CO 307940478 572804658 /nfs/dbraw/zinc/80/46/58/572804658.db2.gz WFWCNTFQDSUCKA-GRKOMRHMSA-N 0 0 172.224 1.124 10 0 ADAERN CONCc1cn2cc(C)ccc2n1 75067995 572804702 /nfs/dbraw/zinc/80/47/02/572804702.db2.gz MOYQUYDAQXQCOC-UHFFFAOYSA-N 0 0 191.234 1.294 10 0 ADAERN Cn1cncc1[C@H](O)CCCCF 308133261 572804736 /nfs/dbraw/zinc/80/47/36/572804736.db2.gz GLSNLDULCHKRMJ-SECBINFHSA-N 0 0 186.230 1.593 10 0 ADAERN CCc1oc(N)cc1-c1ccncn1 257583845 572804792 /nfs/dbraw/zinc/80/47/92/572804792.db2.gz PAWWRPWNLJDLCJ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN Cc1cn2c(n1)C[C@@H](C)CC2 49804548 572804818 /nfs/dbraw/zinc/80/48/18/572804818.db2.gz BCRVEDSVOUOURL-ZETCQYMHSA-N 0 0 150.225 1.774 10 0 ADAERN Cc1ccncc1-c1ccc(N)n1C 257583868 572804907 /nfs/dbraw/zinc/80/49/07/572804907.db2.gz QJQZVIUMJGWSCA-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN COc1c(F)cccc1[C@@H]([NH3+])CCO 75068349 572804910 /nfs/dbraw/zinc/80/49/10/572804910.db2.gz LRNYQSQWBOKPFU-VIFPVBQESA-N 0 0 199.225 1.217 10 0 ADAERN c1cc(-c2cn[nH]c2)c2cc[nH]c2n1 49792991 572804911 /nfs/dbraw/zinc/80/49/11/572804911.db2.gz FATFDRYYCYZBQB-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 in-vivo ADAERN CONCc1cc2cc(O)ccc2[nH]1 75068032 572804922 /nfs/dbraw/zinc/80/49/22/572804922.db2.gz HWZGSERQMUXJFN-UHFFFAOYSA-N 0 0 192.218 1.525 10 0 ADAERN Cn1cccc1NC[C@H]1CCCO1 257572486 572804972 /nfs/dbraw/zinc/80/49/72/572804972.db2.gz OANPNWCREIMYPI-SECBINFHSA-N 0 0 180.251 1.616 10 0 ADAERN [NH3+][C@@H](/C=C\C(=O)[O-])c1ccccc1F 714557699 572804983 /nfs/dbraw/zinc/80/49/83/572804983.db2.gz PWZHBVLFXGMIEF-UDIARPCQSA-N 0 0 195.193 1.466 10 0 ADAERN COc1ccc2[nH]c(CNO)cc2c1 75068031 572804989 /nfs/dbraw/zinc/80/49/89/572804989.db2.gz RDEYELJQZILMNG-UHFFFAOYSA-N 0 0 192.218 1.655 10 0 ADAERN OCc1cccn1COCC1CC1 236513823 572804992 /nfs/dbraw/zinc/80/49/92/572804992.db2.gz WZFBCIUOWXAZPV-UHFFFAOYSA-N 0 0 181.235 1.365 10 0 ADAERN COc1cccc2c1OCCC(=O)C2 75068026 572804993 /nfs/dbraw/zinc/80/49/93/572804993.db2.gz OKFLCMLJAOTCNR-UHFFFAOYSA-N 0 0 192.214 1.589 10 0 ADAERN CCCc1ccn(C)c1N 257572325 572804995 /nfs/dbraw/zinc/80/49/95/572804995.db2.gz NDOBIHHCKGXSNZ-UHFFFAOYSA-N 0 0 138.214 1.560 10 0 ADAERN CONCc1cccc2c1ncn2C 75068005 572805006 /nfs/dbraw/zinc/80/50/06/572805006.db2.gz MDXJCCUEWADKQU-UHFFFAOYSA-N 0 0 191.234 1.224 10 0 ADAERN CONCc1ccc2c(c1)C[C@H](C)O2 75068072 572805010 /nfs/dbraw/zinc/80/50/10/572805010.db2.gz WGXXCWMIFLRCBO-QMMMGPOBSA-N 0 0 193.246 1.661 10 0 ADAERN O=C([O-])[C@]1(CCCCF)CCC[NH2+]1 308133282 572805020 /nfs/dbraw/zinc/80/50/20/572805020.db2.gz GMZYKVJRRMZZQA-VIFPVBQESA-N 0 0 189.230 1.333 10 0 ADAERN CONCc1ccc2nnsc2c1 75068170 572805033 /nfs/dbraw/zinc/80/50/33/572805033.db2.gz PAKZVRVILPFODP-UHFFFAOYSA-N 0 0 195.247 1.342 10 0 ADAERN CONCc1cccc2c1COCC2 75068062 572805036 /nfs/dbraw/zinc/80/50/36/572805036.db2.gz SGKKEBZBHFBSAM-UHFFFAOYSA-N 0 0 193.246 1.410 10 0 ADAERN CC(C)[C@H]1CN(C)c2ccn(C)c2N1 257572424 572805054 /nfs/dbraw/zinc/80/50/54/572805054.db2.gz OCWCATAUTSTXDD-SECBINFHSA-N 0 0 193.294 1.911 10 0 ADAERN O[C@@H](CC1CC1)[C@H](O)c1ccccc1 236513239 572805095 /nfs/dbraw/zinc/80/50/95/572805095.db2.gz OLOQZFYNQXHCDT-NWDGAFQWSA-N 0 0 192.258 1.881 10 0 ADAERN COc1cc(F)ccc1[C@H]([NH3+])CCO 75068340 572805098 /nfs/dbraw/zinc/80/50/98/572805098.db2.gz HKTDOSUFQPFWOW-SECBINFHSA-N 0 0 199.225 1.217 10 0 ADAERN Nc1c[nH]c(N2CCCC2)c1 257572461 572805102 /nfs/dbraw/zinc/80/51/02/572805102.db2.gz NQCLPINAALKLLY-UHFFFAOYSA-N 0 0 151.213 1.197 10 0 ADAERN C[C@@H](F)CCSc1nncn1C 307941726 572805206 /nfs/dbraw/zinc/80/52/06/572805206.db2.gz CQCHSCPZPQLIMR-ZCFIWIBFSA-N 0 0 189.259 1.655 10 0 ADAERN Cn1ccc(Cc2cc[nH]c2N)c1 257572473 572805125 /nfs/dbraw/zinc/80/51/25/572805125.db2.gz NTWANROBHCHMNV-UHFFFAOYSA-N 0 0 175.235 1.526 10 0 ADAERN [NH3+][C@H](CC/C=C\c1cc[nH]c1)C(=O)[O-] 714557066 572805199 /nfs/dbraw/zinc/80/51/99/572805199.db2.gz JRKSVNSCMKADJQ-MAYCQVCUSA-N 0 0 194.234 1.220 10 0 ADAERN Cc1cnc(Cc2ccn(C)c2N)o1 257572478 572805216 /nfs/dbraw/zinc/80/52/16/572805216.db2.gz NVTWMLJTVDIQPM-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN Cc1ncncc1-c1cc(N)oc1C 257583823 572805218 /nfs/dbraw/zinc/80/52/18/572805218.db2.gz MUQMQJOLWFPUFY-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC[C@@H](C)N(C(=S)NC)C1CC1 307941719 572805219 /nfs/dbraw/zinc/80/52/19/572805219.db2.gz CQAWMFHVVOPTSF-SSDOTTSWSA-N 0 0 186.324 1.754 10 0 ADAERN O[C@@H]1CCCC=CCCC[C@H]1O 307941948 572805255 /nfs/dbraw/zinc/80/52/55/572805255.db2.gz CRRPDPMDWAVXLD-NXEZZACHSA-N 0 0 170.252 1.619 10 0 ADAERN Oc1cccc([C@@H]2NCCO2)c1 49804824 572805265 /nfs/dbraw/zinc/80/52/65/572805265.db2.gz QDAVETPLPKPNLB-SECBINFHSA-N 0 0 165.192 1.011 10 0 ADAERN Cc1cn2c(n1)C[C@H](C)CC2 49804547 572805278 /nfs/dbraw/zinc/80/52/78/572805278.db2.gz BCRVEDSVOUOURL-SSDOTTSWSA-N 0 0 150.225 1.774 10 0 ADAERN CC/C=C/COC(=O)[C@H](C)OC 307947568 572805279 /nfs/dbraw/zinc/80/52/79/572805279.db2.gz LDPPJDUKVVLNEK-GJIOHYHPSA-N 0 0 172.224 1.531 10 0 ADAERN Cc1cn(C)nc1-c1ccc(N)n1C 257583389 572805290 /nfs/dbraw/zinc/80/52/90/572805290.db2.gz GVYPYLZACFUDGX-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN Nc1ccc(-c2csc(N)c2)cn1 257583839 572805295 /nfs/dbraw/zinc/80/52/95/572805295.db2.gz NQEIQRNTZMMKFW-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN CC1(CC/C=C\CO)OCCO1 307941861 572805299 /nfs/dbraw/zinc/80/52/99/572805299.db2.gz OZLWXKPUQZDCRH-RQOWECAXSA-N 0 0 172.224 1.078 10 0 ADAERN C/C=C\C(=O)N1CC(C(C)C)C1 307941046 572805301 /nfs/dbraw/zinc/80/53/01/572805301.db2.gz BZFZRUFCAVYNBU-PLNGDYQASA-N 0 0 167.252 1.677 10 0 ADAERN CC(C)[C@@H]1CN(C)c2ccn(C)c2N1 257572425 572805303 /nfs/dbraw/zinc/80/53/03/572805303.db2.gz OCWCATAUTSTXDD-VIFPVBQESA-N 0 0 193.294 1.911 10 0 ADAERN CCCc1nnc(CCOC)o1 307941732 572805354 /nfs/dbraw/zinc/80/53/54/572805354.db2.gz CQQROXFFWGMFKP-UHFFFAOYSA-N 0 0 170.212 1.211 10 0 ADAERN C[C@@H]([NH2+]C/C=C\C(=O)[O-])C1CC1 307941219 572805401 /nfs/dbraw/zinc/80/54/01/572805401.db2.gz YQNQSTAWDGHANC-SKRYNEFJSA-N 0 0 169.224 1.015 10 0 ADAERN CCN(CC)c1cc(N)c[nH]1 257572530 572805421 /nfs/dbraw/zinc/80/54/21/572805421.db2.gz OSNQFIFFMDVNAP-UHFFFAOYSA-N 0 0 153.229 1.443 10 0 ADAERN Cc1nc(C)c(-c2ccc(N)n2C)o1 257583810 572805467 /nfs/dbraw/zinc/80/54/67/572805467.db2.gz KUMQZVQVGGBKHU-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN Cc1cc(=O)n(-c2coc(C=O)c2)[nH]1 257583876 572805477 /nfs/dbraw/zinc/80/54/77/572805477.db2.gz RUENSYKODRASQE-UHFFFAOYSA-N 0 0 192.174 1.292 10 0 ADAERN CC(=O)OC/C=C(C)/C=C\CO 307941899 572805496 /nfs/dbraw/zinc/80/54/96/572805496.db2.gz PEYZSOGWHHENHH-HMRFFJRGSA-N 0 0 170.208 1.044 10 0 ADAERN Cn1cccc1NC[C@@H]1CCCO1 257572487 572805599 /nfs/dbraw/zinc/80/55/99/572805599.db2.gz OANPNWCREIMYPI-VIFPVBQESA-N 0 0 180.251 1.616 10 0 ADAERN Cc1nn(C)c(C)c1-c1occc1N 257583840 572805609 /nfs/dbraw/zinc/80/56/09/572805609.db2.gz NRVJENXTOHBDIE-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN CC1=CC=C[C@@H]2CS(=O)(=O)C[C@]12C 43761799 572805632 /nfs/dbraw/zinc/80/56/32/572805632.db2.gz GPRXMUYMNNKBQI-NXEZZACHSA-N 0 0 198.287 1.553 10 0 ADAERN CC[C@@H](C)NC(=O)N(C)C1CC1 307941349 572805657 /nfs/dbraw/zinc/80/56/57/572805657.db2.gz CIDLTNXSSSYGCK-SSDOTTSWSA-N 0 0 170.256 1.589 10 0 ADAERN CCc1ccn(C)c1N 257572824 572805670 /nfs/dbraw/zinc/80/56/70/572805670.db2.gz QJHCSUXSOJBEQR-UHFFFAOYSA-N 0 0 124.187 1.170 10 0 ADAERN O[C@H]1CCCC=CCCC[C@H]1O 307941947 572805683 /nfs/dbraw/zinc/80/56/83/572805683.db2.gz CRRPDPMDWAVXLD-AOOOYVTPSA-N 0 0 170.252 1.619 10 0 ADAERN CC(C)Cc1ccn(C)c1N 257572305 572805685 /nfs/dbraw/zinc/80/56/85/572805685.db2.gz MTVBSESQMONBBY-UHFFFAOYSA-N 0 0 152.241 1.806 10 0 ADAERN CCc1oc(N)cc1-c1cncnc1 257583865 572805690 /nfs/dbraw/zinc/80/56/90/572805690.db2.gz QIDWIEAUVOBWPP-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CCC(=O)[C@@H](C)OC(=O)C1CC1 307941067 572805691 /nfs/dbraw/zinc/80/56/91/572805691.db2.gz CABFIGGGQVYVER-ZCFIWIBFSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1nn(C)cc1Cc1cc[nH]c1N 257572496 572805695 /nfs/dbraw/zinc/80/56/95/572805695.db2.gz OEGYZGABTKVKOZ-UHFFFAOYSA-N 0 0 190.250 1.230 10 0 ADAERN CC/C=C/COC(=O)[C@@H](C)OC 307947569 572805701 /nfs/dbraw/zinc/80/57/01/572805701.db2.gz LDPPJDUKVVLNEK-HQZHTGGTSA-N 0 0 172.224 1.531 10 0 ADAERN C/C=C\C(=O)OCc1ncc[nH]1 307941033 572805715 /nfs/dbraw/zinc/80/57/15/572805715.db2.gz BYNIQRRXGDYLNR-IHWYPQMZSA-N 0 0 166.180 1.029 10 0 ADAERN OCc1cc(F)cnc1OCC1CC1 236520560 572805718 /nfs/dbraw/zinc/80/57/18/572805718.db2.gz GYROFGYGHGOOKU-UHFFFAOYSA-N 0 0 197.209 1.502 10 0 ADAERN Cn1cncc1[C@@H](O)CCCCF 308133262 572805723 /nfs/dbraw/zinc/80/57/23/572805723.db2.gz GLSNLDULCHKRMJ-VIFPVBQESA-N 0 0 186.230 1.593 10 0 ADAERN Nc1c[nH]c(N2CCCCCC2)c1 257572819 572805736 /nfs/dbraw/zinc/80/57/36/572805736.db2.gz QFFDYIAUQIDETJ-UHFFFAOYSA-N 0 0 179.267 1.977 10 0 ADAERN COc1ccc(C(=O)[C@H](C)O)c(F)c1 234852839 572805751 /nfs/dbraw/zinc/80/57/51/572805751.db2.gz ORXMVJFAMOMLMD-LURJTMIESA-N 0 0 198.193 1.398 10 0 ADAERN CC(C)(C)C(C)(C)[NH2+]CC(=O)[O-] 307941478 572805763 /nfs/dbraw/zinc/80/57/63/572805763.db2.gz XWILZDILBCSWBZ-UHFFFAOYSA-N 0 0 173.256 1.485 10 0 ADAERN CC(C)[C@@H]1CN(C)c2cc[nH]c2N1 257572589 572805795 /nfs/dbraw/zinc/80/57/95/572805795.db2.gz PJOWJMZTFFYVDX-QMMMGPOBSA-N 0 0 179.267 1.901 10 0 ADAERN C[C@H](CO)C[C@@H](C)C[C@@H](C)CO 307941850 572805806 /nfs/dbraw/zinc/80/58/06/572805806.db2.gz OXQIVIGCLLIFKQ-ILWJIGKKSA-N 0 0 174.284 1.660 10 0 ADAERN OCc1cncn1CC1(C2CC2)CC1 236518475 572805809 /nfs/dbraw/zinc/80/58/09/572805809.db2.gz GSOWEYOQCPOGDQ-UHFFFAOYSA-N 0 0 192.262 1.566 10 0 ADAERN CC(C)OCCOC(=O)C(F)F 307941341 572805816 /nfs/dbraw/zinc/80/58/16/572805816.db2.gz CHKDJBLPXWSQQC-UHFFFAOYSA-N 0 0 182.166 1.220 10 0 ADAERN CCCC[C@H](C)OCCCO 167740066 572805925 /nfs/dbraw/zinc/80/59/25/572805925.db2.gz DTHZZZXSEZHIBT-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN O[C@@H](Cc1cccs1)[C@H](O)C1CC1 236519152 572805940 /nfs/dbraw/zinc/80/59/40/572805940.db2.gz VWWPBKVYWICGPD-VHSXEESVSA-N 0 0 198.287 1.422 10 0 ADAERN c1cncc([C@@H]2NCCCO2)c1 49804808 572805965 /nfs/dbraw/zinc/80/59/65/572805965.db2.gz ONDUWKPTSDZIPB-SECBINFHSA-N 0 0 164.208 1.090 10 0 ADAERN Cn1ccc(Cc2ncco2)c1N 257572313 572805970 /nfs/dbraw/zinc/80/59/70/572805970.db2.gz MWOOCRIMHNEPCQ-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN Cc1c(-c2cc[nH]c2)nc(N)[nH]c1=O 257583844 572806009 /nfs/dbraw/zinc/80/60/09/572806009.db2.gz OTLXDMPYSWVEGJ-UHFFFAOYSA-N 0 0 190.206 1.068 10 0 ADAERN Cc1cc(Cc2ccn(C)c2N)no1 257572479 572806016 /nfs/dbraw/zinc/80/60/16/572806016.db2.gz NWJQEAWOPGUOKA-UHFFFAOYSA-N 0 0 191.234 1.495 10 0 ADAERN C/C=C/COC(=O)c1ccno1 307941116 572806026 /nfs/dbraw/zinc/80/60/26/572806026.db2.gz CEHLZVNIILKMQP-NSCUHMNNSA-N 0 0 167.164 1.408 10 0 ADAERN N#CNC1=N[C@@H]2c3ccccc3C[C@H]2O1 204992206 572806038 /nfs/dbraw/zinc/80/60/38/572806038.db2.gz POPFMTMYKDUYRG-NXEZZACHSA-N 0 0 199.213 1.109 10 0 ADAERN Cc1ccc(O/C=C\CO)cc1 307941198 572806039 /nfs/dbraw/zinc/80/60/39/572806039.db2.gz OEMFPVOGLVRKOM-WAPJZHGLSA-N 0 0 164.204 1.880 10 0 ADAERN N#CNC1=N[C@H]2c3ccccc3C[C@@H]2O1 204992252 572806055 /nfs/dbraw/zinc/80/60/55/572806055.db2.gz POPFMTMYKDUYRG-UWVGGRQHSA-N 0 0 199.213 1.109 10 0 ADAERN CC(=O)c1cnn(CCCCF)c1 308133280 572806069 /nfs/dbraw/zinc/80/60/69/572806069.db2.gz GMRCNTABSJEGCT-UHFFFAOYSA-N 0 0 184.214 1.835 10 0 ADAERN Cc1oc(N)cc1-c1cc[nH]c(=O)n1 257583869 572806072 /nfs/dbraw/zinc/80/60/72/572806072.db2.gz QKBKWHYUUOFWQV-UHFFFAOYSA-N 0 0 191.190 1.333 10 0 ADAERN CC/C=C\COC(=O)[C@@H](C)OC 307947570 572806082 /nfs/dbraw/zinc/80/60/82/572806082.db2.gz LDPPJDUKVVLNEK-RPSMYOMKSA-N 0 0 172.224 1.531 10 0 ADAERN O=C(CCC1CC1)[C@@H](O)C1CC1 236519650 572806107 /nfs/dbraw/zinc/80/61/07/572806107.db2.gz UEHLDMLKVHXTEN-JTQLQIEISA-N 0 0 168.236 1.517 10 0 ADAERN CNOC/C=C\c1cccs1 714558000 572806123 /nfs/dbraw/zinc/80/61/23/572806123.db2.gz WJKNHQZVRQXJQS-RQOWECAXSA-N 0 0 169.249 1.912 10 0 ADAERN Cc1cc(-c2ccc(N)n2C)ncn1 257583386 572806160 /nfs/dbraw/zinc/80/61/60/572806160.db2.gz GJDXVLAMOALYFF-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Oc1ccc(NCc2ncc[nH]2)cc1 49715376 572806177 /nfs/dbraw/zinc/80/61/77/572806177.db2.gz OVXRKQMISVRZOI-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN CCC(=CC(=O)NCCF)CC 307941367 572806183 /nfs/dbraw/zinc/80/61/83/572806183.db2.gz CKRNUAMHNUKGKV-UHFFFAOYSA-N 0 0 173.231 1.819 10 0 ADAERN Cc1oc(N)c(C)c1-c1ccn(C)n1 257583407 572806243 /nfs/dbraw/zinc/80/62/43/572806243.db2.gz HIIZHYMVWCPRPB-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN COC(=O)C=CNCCC(C)C 307940951 572806244 /nfs/dbraw/zinc/80/62/44/572806244.db2.gz YBIKSPDUKWRIGP-ALCCZGGFSA-N 0 0 171.240 1.309 10 0 ADAERN CCC(=CC(=O)OC)NC1CC1 307941716 572806273 /nfs/dbraw/zinc/80/62/73/572806273.db2.gz CPYPBODHDWWXBK-VOTSOKGWSA-N 0 0 169.224 1.205 10 0 ADAERN Cc1nc(CC2CC2)n[nH]1 49731364 572806336 /nfs/dbraw/zinc/80/63/36/572806336.db2.gz NSPQBESSSDSZEL-UHFFFAOYSA-N 0 0 137.186 1.066 10 0 ADAERN O=C(Cc1ccco1)[C@@H](O)C1CC1 236520914 572806368 /nfs/dbraw/zinc/80/63/68/572806368.db2.gz SDQXKRLADVSPLP-JTQLQIEISA-N 0 0 180.203 1.162 10 0 ADAERN COC(=O)/C(C)=C/C=C(/C)CO 307941848 572806384 /nfs/dbraw/zinc/80/63/84/572806384.db2.gz OXOFRRILXFGTBR-DKBJKEKUSA-N 0 0 170.208 1.044 10 0 ADAERN Cc1nc(-c2nc(C=O)c[nH]2)[nH]c1C 257583809 572806393 /nfs/dbraw/zinc/80/63/93/572806393.db2.gz KQBVIBGOXWIDBK-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN CC(C)[C@@H](CF)[NH2+]C[C@H]1CCCO1 107134103 572806409 /nfs/dbraw/zinc/80/64/09/572806409.db2.gz GNZWYMDSFGIECJ-NXEZZACHSA-N 0 0 189.274 1.749 10 0 ADAERN Cc1nccc(-c2cc(N)oc2C)n1 257583854 572806450 /nfs/dbraw/zinc/80/64/50/572806450.db2.gz PPBMXGFCNDANPN-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN COC(=O)C=CNCCC1CC1 307941256 572806455 /nfs/dbraw/zinc/80/64/55/572806455.db2.gz YXLIKDKJSZEUNS-ALCCZGGFSA-N 0 0 169.224 1.063 10 0 ADAERN CC(C)[C@@H](CF)[NH2+]C[C@@H]1CCCO1 107134099 572806474 /nfs/dbraw/zinc/80/64/74/572806474.db2.gz GNZWYMDSFGIECJ-VHSXEESVSA-N 0 0 189.274 1.749 10 0 ADAERN O=C(CC1CCOCC1)[C@@H](O)C1CC1 236519617 572806510 /nfs/dbraw/zinc/80/65/10/572806510.db2.gz WXNLESGPEXANIT-NSHDSACASA-N 0 0 198.262 1.143 10 0 ADAERN CC/C=C\COC(=O)[C@H](C)OC 307947571 572806517 /nfs/dbraw/zinc/80/65/17/572806517.db2.gz LDPPJDUKVVLNEK-SLGIHZDVSA-N 0 0 172.224 1.531 10 0 ADAERN Nc1c[nH]c(-c2cn3c(n2)CCC3)c1 257583842 572806534 /nfs/dbraw/zinc/80/65/34/572806534.db2.gz OJEAJLZDHWZCIO-UHFFFAOYSA-N 0 0 188.234 1.407 10 0 ADAERN CC(C)(C)SCC(=O)NC1CC1 307941944 572806538 /nfs/dbraw/zinc/80/65/38/572806538.db2.gz CRKITVCAOLTPQJ-UHFFFAOYSA-N 0 0 187.308 1.797 10 0 ADAERN O=C(CC1CCC1)[C@@H](O)C1CC1 236519594 572806550 /nfs/dbraw/zinc/80/65/50/572806550.db2.gz UTWGANIMPSHKJI-JTQLQIEISA-N 0 0 168.236 1.517 10 0 ADAERN O=C(CC[C@@H]1CCCO1)[C@@H](O)C1CC1 236519731 572806554 /nfs/dbraw/zinc/80/65/54/572806554.db2.gz KIZMZBWMPMDWPM-ONGXEEELSA-N 0 0 198.262 1.286 10 0 ADAERN C[C@H](F)CCOc1cnn(C)c1 307947591 572806576 /nfs/dbraw/zinc/80/65/76/572806576.db2.gz LFCCNBZCYFNWQH-ZETCQYMHSA-N 0 0 172.203 1.547 10 0 ADAERN Cc1cnnc(-c2ccc(N)n2C)c1 257583849 572806581 /nfs/dbraw/zinc/80/65/81/572806581.db2.gz PIGUBFZLTSZIKI-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@@H](F)CCOc1cnn(C)c1 307947590 572806590 /nfs/dbraw/zinc/80/65/90/572806590.db2.gz LFCCNBZCYFNWQH-SSDOTTSWSA-N 0 0 172.203 1.547 10 0 ADAERN O=C(CC[C@H]1CCCO1)[C@@H](O)C1CC1 236519738 572806594 /nfs/dbraw/zinc/80/65/94/572806594.db2.gz KIZMZBWMPMDWPM-KOLCDFICSA-N 0 0 198.262 1.286 10 0 ADAERN O=Cc1cc(-c2cccc(=O)[nH]2)c[nH]1 257583828 572806595 /nfs/dbraw/zinc/80/65/95/572806595.db2.gz MYZFRKFTOKBLEK-UHFFFAOYSA-N 0 0 188.186 1.595 10 0 ADAERN CCCC(=O)OCc1ccc[nH]1 307941922 572806626 /nfs/dbraw/zinc/80/66/26/572806626.db2.gz CWYWSIHLBKIOFF-UHFFFAOYSA-N 0 0 167.208 1.858 10 0 ADAERN COC[C@H](CF)[NH2+]C1CCCCC1 107134109 572806628 /nfs/dbraw/zinc/80/66/28/572806628.db2.gz YCDFUMQHMHPBEL-JTQLQIEISA-N 0 0 189.274 1.893 10 0 ADAERN CC[C@H](C)SCC(=O)N1CCC1 307941015 572806637 /nfs/dbraw/zinc/80/66/37/572806637.db2.gz BWXJNSJSSMJZOE-QMMMGPOBSA-N 0 0 187.308 1.750 10 0 ADAERN CC[C@@H](C)SC[C@H]1CCC(=O)N1 307941402 572806688 /nfs/dbraw/zinc/80/66/88/572806688.db2.gz CNIMWVLHENFBSX-HTQZYQBOSA-N 0 0 187.308 1.797 10 0 ADAERN O=C(CC1CCCC1)[C@@H](O)C1CC1 236519603 572806721 /nfs/dbraw/zinc/80/67/21/572806721.db2.gz JKNZTGBBKRWHLS-NSHDSACASA-N 0 0 182.263 1.907 10 0 ADAERN O=C(CCC(F)(F)F)[C@@H](O)C1CC1 236519644 572806726 /nfs/dbraw/zinc/80/67/26/572806726.db2.gz IASPHGWTUDTHCW-ZETCQYMHSA-N 0 0 196.168 1.669 10 0 ADAERN N#CNC1=N[C@@H]2c3ccccc3C[C@@H]2O1 204992226 572806748 /nfs/dbraw/zinc/80/67/48/572806748.db2.gz POPFMTMYKDUYRG-VHSXEESVSA-N 0 0 199.213 1.109 10 0 ADAERN Cc1ccnc(-c2ccc(N)n2C)c1 257583870 572806750 /nfs/dbraw/zinc/80/67/50/572806750.db2.gz QNBCPFNLVURSNB-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC[C@H](C)SC[C@@H]1CCC(=O)N1 307941405 572806753 /nfs/dbraw/zinc/80/67/53/572806753.db2.gz CNIMWVLHENFBSX-YUMQZZPRSA-N 0 0 187.308 1.797 10 0 ADAERN C/C=C/C(=O)OCc1ncc[nH]1 307941034 572806785 /nfs/dbraw/zinc/80/67/85/572806785.db2.gz BYNIQRRXGDYLNR-NSCUHMNNSA-N 0 0 166.180 1.029 10 0 ADAERN O=C(Cc1ccccc1)[C@@H](O)C1CC1 236520859 572806791 /nfs/dbraw/zinc/80/67/91/572806791.db2.gz OGBYZNICJRDBFY-LBPRGKRZSA-N 0 0 190.242 1.569 10 0 ADAERN Cc1n[nH]c(C)c1NCc1ncc[nH]1 49714855 572806794 /nfs/dbraw/zinc/80/67/94/572806794.db2.gz WRLINRJYJIZZLX-UHFFFAOYSA-N 0 0 191.238 1.362 10 0 ADAERN O=C(Cc1cccs1)[C@@H](O)C1CC1 236520927 572806799 /nfs/dbraw/zinc/80/67/99/572806799.db2.gz ZEZQZOLIKPRWCU-JTQLQIEISA-N 0 0 196.271 1.631 10 0 ADAERN Cc1ncc(Cc2cc[nH]c2N)s1 257572503 572806819 /nfs/dbraw/zinc/80/68/19/572806819.db2.gz OGFBREQOCJQISR-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN Cc1scnc1Cc1cc[nH]c1N 257572787 572806825 /nfs/dbraw/zinc/80/68/25/572806825.db2.gz PTFRUAFBFCUDBC-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN CSCC(=O)Oc1ccccc1 307942010 572806835 /nfs/dbraw/zinc/80/68/35/572806835.db2.gz ZFQLUZULBHVDLW-UHFFFAOYSA-N 0 0 182.244 1.955 10 0 ADAERN c1ccc([C@@H]2NCCCO2)nc1 49804806 572806846 /nfs/dbraw/zinc/80/68/46/572806846.db2.gz NITFYFRSGYTTFJ-SECBINFHSA-N 0 0 164.208 1.090 10 0 ADAERN Cn1ccc(Cc2cnoc2)c1N 257572775 572806848 /nfs/dbraw/zinc/80/68/48/572806848.db2.gz PPRNGBAGBWLBIX-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN O[C@@H](Cc1cccs1)[C@@H](O)C1CC1 236519043 572806849 /nfs/dbraw/zinc/80/68/49/572806849.db2.gz VWWPBKVYWICGPD-UWVGGRQHSA-N 0 0 198.287 1.422 10 0 ADAERN C[C@H]([NH2+]C/C=C\C(=O)[O-])C1CC1 307941221 572806880 /nfs/dbraw/zinc/80/68/80/572806880.db2.gz YQNQSTAWDGHANC-XDVGHUOJSA-N 0 0 169.224 1.015 10 0 ADAERN Nc1[nH]ccc1Cc1cccnc1 257572807 572806885 /nfs/dbraw/zinc/80/68/85/572806885.db2.gz QACNNBGQYJKCRV-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN CC(C)[C@H]1CN(C)c2cc[nH]c2N1 257572588 572806894 /nfs/dbraw/zinc/80/68/94/572806894.db2.gz PJOWJMZTFFYVDX-MRVPVSSYSA-N 0 0 179.267 1.901 10 0 ADAERN c1coc([C@@H]2NCCCO2)c1 49804574 572806898 /nfs/dbraw/zinc/80/68/98/572806898.db2.gz APTRLYNDISANRO-MRVPVSSYSA-N 0 0 153.181 1.288 10 0 ADAERN O[C@H]1CCCC=CCCC[C@@H]1O 307941949 572806923 /nfs/dbraw/zinc/80/69/23/572806923.db2.gz CRRPDPMDWAVXLD-UWVGGRQHSA-N 0 0 170.252 1.619 10 0 ADAERN CC(=O)COC(=O)c1ccco1 307941679 572806926 /nfs/dbraw/zinc/80/69/26/572806926.db2.gz CNDZHCAMXDDAJJ-UHFFFAOYSA-N 0 0 168.148 1.025 10 0 ADAERN Cn1ccc(CC2CC2)c1N 257572492 572806927 /nfs/dbraw/zinc/80/69/27/572806927.db2.gz OCJDENPIZJFCIV-UHFFFAOYSA-N 0 0 150.225 1.560 10 0 ADAERN Cc1ccc(-c2ccc(N)n2C)cn1 257583841 572806946 /nfs/dbraw/zinc/80/69/46/572806946.db2.gz OAFZNVCVPIWOAP-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C/C=C\COC(=O)c1ccno1 307941115 572806949 /nfs/dbraw/zinc/80/69/49/572806949.db2.gz CEHLZVNIILKMQP-IHWYPQMZSA-N 0 0 167.164 1.408 10 0 ADAERN CCc1cc(SC)n(C)c1N 257572790 572806961 /nfs/dbraw/zinc/80/69/61/572806961.db2.gz PVHLIBVKBTZWMN-UHFFFAOYSA-N 0 0 170.281 1.892 10 0 ADAERN CC[C@H](C)SC[C@H]1CCC(=O)N1 307941403 572806962 /nfs/dbraw/zinc/80/69/62/572806962.db2.gz CNIMWVLHENFBSX-JGVFFNPUSA-N 0 0 187.308 1.797 10 0 ADAERN [NH3+][C@@H](CC/C=C\c1cc[nH]c1)C(=O)[O-] 714557067 572806979 /nfs/dbraw/zinc/80/69/79/572806979.db2.gz JRKSVNSCMKADJQ-MBMUTDPPSA-N 0 0 194.234 1.220 10 0 ADAERN Cc1oc(N)cc1-c1cccc(=O)[nH]1 257583379 572806981 /nfs/dbraw/zinc/80/69/81/572806981.db2.gz GEHFWDMVCORUBM-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CSCCN1CC(C(F)(F)F)C1 307941999 572806991 /nfs/dbraw/zinc/80/69/91/572806991.db2.gz ZCWMPOCQYSMMEC-UHFFFAOYSA-N 0 0 199.241 1.844 10 0 ADAERN COC(=O)CC[C@H](C)CCCO 307941275 572807001 /nfs/dbraw/zinc/80/70/01/572807001.db2.gz OJEDYCHOPSSBRS-MRVPVSSYSA-N 0 0 174.240 1.348 10 0 ADAERN CCCOC(=O)C1=CCOCC1 307941738 572807008 /nfs/dbraw/zinc/80/70/08/572807008.db2.gz CQUBHRWMVGYYEU-UHFFFAOYSA-N 0 0 170.208 1.286 10 0 ADAERN CCC(=O)[C@H](C)OC(=O)C1CC1 307941065 572807019 /nfs/dbraw/zinc/80/70/19/572807019.db2.gz CABFIGGGQVYVER-LURJTMIESA-N 0 0 170.208 1.307 10 0 ADAERN Cc1nc(Cc2cc[nH]c2N)cs1 257572535 572807029 /nfs/dbraw/zinc/80/70/29/572807029.db2.gz OUNYCAROJVYMRA-UHFFFAOYSA-N 0 0 193.275 1.953 10 0 ADAERN CCN1C(=O)N=C(c2cc[nH]c2)C1N 257583833 572807044 /nfs/dbraw/zinc/80/70/44/572807044.db2.gz NEUBHDSCBUZDKP-UHFFFAOYSA-N 0 0 192.222 1.186 10 0 ADAERN C[C@H](F)CCSc1nncn1C 307941724 572807097 /nfs/dbraw/zinc/80/70/97/572807097.db2.gz CQCHSCPZPQLIMR-LURJTMIESA-N 0 0 189.259 1.655 10 0 ADAERN Oc1cccc(NCc2ncc[nH]2)c1 49714759 572807098 /nfs/dbraw/zinc/80/70/98/572807098.db2.gz PKTRUJASNQTLHR-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN c1ccc([C@H]2NCCCO2)nc1 49804807 572807139 /nfs/dbraw/zinc/80/71/39/572807139.db2.gz NITFYFRSGYTTFJ-VIFPVBQESA-N 0 0 164.208 1.090 10 0 ADAERN c1cncc([C@H]2NCCCO2)c1 49804809 572807257 /nfs/dbraw/zinc/80/72/57/572807257.db2.gz ONDUWKPTSDZIPB-VIFPVBQESA-N 0 0 164.208 1.090 10 0 ADAERN CC(C)c1n[nH]c(CC2CC2)n1 49731367 572807290 /nfs/dbraw/zinc/80/72/90/572807290.db2.gz LQVWGUMETVMVSS-UHFFFAOYSA-N 0 0 165.240 1.881 10 0 ADAERN c1coc([C@H]2NCCCO2)c1 49804575 572807316 /nfs/dbraw/zinc/80/73/16/572807316.db2.gz APTRLYNDISANRO-QMMMGPOBSA-N 0 0 153.181 1.288 10 0 ADAERN CCC/C=C\C(=O)OCCOC 307941774 572807364 /nfs/dbraw/zinc/80/73/64/572807364.db2.gz CRWKNPWSYWVHOV-WAYWQWQTSA-N 0 0 172.224 1.532 10 0 ADAERN C[C@]1(Cl)C(=O)[C@H]2CCC[C@]21O 43762172 572807426 /nfs/dbraw/zinc/80/74/26/572807426.db2.gz AFQQQWJBIBAFRO-DTLFHODZSA-N 0 0 174.627 1.098 10 0 ADAERN CSCCCC(=O)OC1COC1 308138552 572808540 /nfs/dbraw/zinc/80/85/40/572808540.db2.gz FTLBLOAAWICTLI-UHFFFAOYSA-N 0 0 190.264 1.072 10 0 ADAERN COc1nc(C)nc(C(C)=O)c1C 75085845 572807443 /nfs/dbraw/zinc/80/74/43/572807443.db2.gz CIGSSJREEPNJBQ-UHFFFAOYSA-N 0 0 180.207 1.305 10 0 ADAERN C1CCC([C@@H]2CCNN2)CC1 198812797 572807466 /nfs/dbraw/zinc/80/74/66/572807466.db2.gz AYXDOBQCYXEYQR-VIFPVBQESA-N 0 0 154.257 1.433 10 0 ADAERN C[C@]12C=C[C@H](O)C[C@@]1(C)C2 43761767 572807476 /nfs/dbraw/zinc/80/74/76/572807476.db2.gz VAYICGRPGWXKOH-YIZRAAEISA-N 0 0 138.210 1.724 10 0 ADAERN ONCc1cc(Cl)ccn1 75085166 572807486 /nfs/dbraw/zinc/80/74/86/572807486.db2.gz RZASBYBHFVMFER-UHFFFAOYSA-N 0 0 158.588 1.214 10 0 ADAERN CC[C@@H](C)SC[C@@H]1CCC(=O)N1 307941404 572807496 /nfs/dbraw/zinc/80/74/96/572807496.db2.gz CNIMWVLHENFBSX-SFYZADRCSA-N 0 0 187.308 1.797 10 0 ADAERN CCC(=CC(=O)OC)NC1CC1 307941714 572807504 /nfs/dbraw/zinc/80/75/04/572807504.db2.gz CPYPBODHDWWXBK-SREVYHEPSA-N 0 0 169.224 1.205 10 0 ADAERN O=C(CC1CCC1)[C@H](O)C1CC1 236524896 572807507 /nfs/dbraw/zinc/80/75/07/572807507.db2.gz UTWGANIMPSHKJI-SNVBAGLBSA-N 0 0 168.236 1.517 10 0 ADAERN CCC/C=C/C(=O)OCCOC 307941772 572807509 /nfs/dbraw/zinc/80/75/09/572807509.db2.gz CRWKNPWSYWVHOV-AATRIKPKSA-N 0 0 172.224 1.532 10 0 ADAERN CONCc1cncnc1C1CC1 75085824 572807512 /nfs/dbraw/zinc/80/75/12/572807512.db2.gz RLUDZPYWAABJFJ-UHFFFAOYSA-N 0 0 179.223 1.005 10 0 ADAERN CC1(C)C[C@@H]1C[NH2+]Cc1cnns1 308138218 572807537 /nfs/dbraw/zinc/80/75/37/572807537.db2.gz ADCXMVJNOTZZST-SSDOTTSWSA-N 0 0 197.307 1.674 10 0 ADAERN O[C@@H](C[NH2+][C@H]1C=CCCC1)C(F)F 236526271 572807539 /nfs/dbraw/zinc/80/75/39/572807539.db2.gz WHALELKIJATEDY-YUMQZZPRSA-N 0 0 191.221 1.311 10 0 ADAERN C[C@H]1N=C(c2ccccc2)NO1 196694166 572807555 /nfs/dbraw/zinc/80/75/55/572807555.db2.gz ANCWHEUDSFCFRY-ZETCQYMHSA-N 0 0 162.192 1.314 10 0 ADAERN CC[C@@H](C)SCC(=O)N1CCC1 307941014 572807588 /nfs/dbraw/zinc/80/75/88/572807588.db2.gz BWXJNSJSSMJZOE-MRVPVSSYSA-N 0 0 187.308 1.750 10 0 ADAERN O=C(CC1CCCC1)[C@H](O)C1CC1 236524907 572807591 /nfs/dbraw/zinc/80/75/91/572807591.db2.gz JKNZTGBBKRWHLS-LLVKDONJSA-N 0 0 182.263 1.907 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CCC(=O)C1 196695493 572807606 /nfs/dbraw/zinc/80/76/06/572807606.db2.gz NTWWJKSOTLMPTF-ZETCQYMHSA-N 0 0 168.236 1.971 10 0 ADAERN O=C(CC1CCOCC1)[C@H](O)C1CC1 236524931 572807613 /nfs/dbraw/zinc/80/76/13/572807613.db2.gz WXNLESGPEXANIT-LLVKDONJSA-N 0 0 198.262 1.143 10 0 ADAERN Oc1cccc([C@H]2NCCO2)c1 49804825 572807671 /nfs/dbraw/zinc/80/76/71/572807671.db2.gz QDAVETPLPKPNLB-VIFPVBQESA-N 0 0 165.192 1.011 10 0 ADAERN O=C(CCC(F)(F)F)[C@H](O)C1CC1 236524960 572807683 /nfs/dbraw/zinc/80/76/83/572807683.db2.gz IASPHGWTUDTHCW-SSDOTTSWSA-N 0 0 196.168 1.669 10 0 ADAERN CC(=O)CCC(=O)OCCC1CC1 308138618 572807705 /nfs/dbraw/zinc/80/77/05/572807705.db2.gz GWCHKXKSBRPSOF-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN C[C@@H](N)C(=O)c1ccc(Cl)o1 75085651 572807739 /nfs/dbraw/zinc/80/77/39/572807739.db2.gz VVLBIVJCNMFNKK-SCSAIBSYSA-N 0 0 173.599 1.463 10 0 ADAERN CC(=O)COC(=O)[C@H]1CC12CCC2 308138302 572807750 /nfs/dbraw/zinc/80/77/50/572807750.db2.gz GPSWIPBAAOSYHD-MRVPVSSYSA-N 0 0 182.219 1.309 10 0 ADAERN Cc1c(CC2CC2)noc1N 49731248 572807774 /nfs/dbraw/zinc/80/77/74/572807774.db2.gz RGPYXUHSDKUNGM-UHFFFAOYSA-N 0 0 152.197 1.518 10 0 ADAERN CC(C)[N@@H+](C1CCC1)[C@H](C)C(=O)[O-] 308138290 572807787 /nfs/dbraw/zinc/80/77/87/572807787.db2.gz GOUYITCETKVXHI-MRVPVSSYSA-N 0 0 185.267 1.722 10 0 ADAERN C/C=C(\C)C(=O)NCCCCF 307942986 572809823 /nfs/dbraw/zinc/80/98/23/572809823.db2.gz DXQCDFRCAUVWHV-FPYGCLRLSA-N 0 0 173.231 1.819 10 0 ADAERN CCON(C)C(=O)c1ccc[nH]1 308137486 572807870 /nfs/dbraw/zinc/80/78/70/572807870.db2.gz FEXUPGLDDYNSSX-UHFFFAOYSA-N 0 0 168.196 1.038 10 0 ADAERN CC(C)CC(=O)n1ccnc1 49804561 572807893 /nfs/dbraw/zinc/80/78/93/572807893.db2.gz PUARJWGNKXFFOB-UHFFFAOYSA-N 0 0 152.197 1.569 10 0 ADAERN C=C/C=C/CC[NH+]1CC(O)(CCC)C1 713760363 572807895 /nfs/dbraw/zinc/80/78/95/572807895.db2.gz UPYDTNYPHZOZAG-AATRIKPKSA-N 0 0 195.306 1.966 10 0 ADAERN C[C@H](OC(=O)CO)c1cccs1 307943747 572808542 /nfs/dbraw/zinc/80/85/42/572808542.db2.gz FXZQBOFUWNOWBJ-LURJTMIESA-N 0 0 186.232 1.345 10 0 ADAERN CC(C)COC(=O)[C@@H]1CCC[C@@H]1O 308138621 572807988 /nfs/dbraw/zinc/80/79/88/572807988.db2.gz GWEFGZNXXUXSMC-BDAKNGLRSA-N 0 0 186.251 1.347 10 0 ADAERN C/C=C(/C)C(=O)NCCCCF 307942984 572808007 /nfs/dbraw/zinc/80/80/07/572808007.db2.gz DXQCDFRCAUVWHV-BAQGIRSFSA-N 0 0 173.231 1.819 10 0 ADAERN CCCC(O)(/C=C\CO)CCC 307942781 572808016 /nfs/dbraw/zinc/80/80/16/572808016.db2.gz QGZIDLCPSZFJQG-YVMONPNESA-N 0 0 172.268 1.866 10 0 ADAERN CC[C@@H](C)S(=O)(=O)NCC(C)C 307943042 572808024 /nfs/dbraw/zinc/80/80/24/572808024.db2.gz DZWDLXYKVUTMBH-MRVPVSSYSA-N 0 0 193.312 1.360 10 0 ADAERN CCC[NH2+]C[P@@](=O)([O-])CC 196685404 572808025 /nfs/dbraw/zinc/80/80/25/572808025.db2.gz DAZBRLVEHMOUPQ-UHFFFAOYSA-N 0 0 165.173 1.234 10 0 ADAERN O=C(CC[C@H]1CCCO1)[C@H](O)C1CC1 236525062 572808036 /nfs/dbraw/zinc/80/80/36/572808036.db2.gz KIZMZBWMPMDWPM-MWLCHTKSSA-N 0 0 198.262 1.286 10 0 ADAERN CC(=O)COC(=O)[C@@H]1CC12CCC2 308138303 572808037 /nfs/dbraw/zinc/80/80/37/572808037.db2.gz GPSWIPBAAOSYHD-QMMMGPOBSA-N 0 0 182.219 1.309 10 0 ADAERN C[C@H](C[NH2+]C(C)(C)C)C(=O)[O-] 49804698 572808053 /nfs/dbraw/zinc/80/80/53/572808053.db2.gz OKRSNVLILCYDCQ-ZCFIWIBFSA-N 0 0 159.229 1.095 10 0 ADAERN CC(C)[C@@H](C)C(=O)Cc1csnn1 308137988 572808082 /nfs/dbraw/zinc/80/80/82/572808082.db2.gz JNQDHYHVNDXGOM-SSDOTTSWSA-N 0 0 198.291 1.942 10 0 ADAERN CC(=O)[C@H](C)SCCC1(O)CC1 307943714 572808125 /nfs/dbraw/zinc/80/81/25/572808125.db2.gz FVTGBYHCKUVSJT-QMMMGPOBSA-N 0 0 188.292 1.612 10 0 ADAERN c1cc2c3c(c1)ncn3CCO2 49804719 572808126 /nfs/dbraw/zinc/80/81/26/572808126.db2.gz YAKLMPWJQUWTAP-UHFFFAOYSA-N 0 0 160.176 1.429 10 0 ADAERN CCc1n[nH]c(CC2CC2)n1 49731365 572808146 /nfs/dbraw/zinc/80/81/46/572808146.db2.gz ZGLNEEDZMDWHLZ-UHFFFAOYSA-N 0 0 151.213 1.320 10 0 ADAERN CCC(=O)O[C@@H](C)[C@H]1CCOC1 307944366 572813807 /nfs/dbraw/zinc/81/38/07/572813807.db2.gz GUSWYUOOBOZJAQ-YUMQZZPRSA-N 0 0 172.224 1.365 10 0 ADAERN CC(=O)[C@@H](C)SCCC1(O)CC1 307943713 572808183 /nfs/dbraw/zinc/80/81/83/572808183.db2.gz FVTGBYHCKUVSJT-MRVPVSSYSA-N 0 0 188.292 1.612 10 0 ADAERN CCC(CC)CCNC(=O)NC 307942776 572808190 /nfs/dbraw/zinc/80/81/90/572808190.db2.gz DMUAVNQSKAMWOE-UHFFFAOYSA-N 0 0 172.272 1.742 10 0 ADAERN CC(=O)COC(=O)CC(C)(C)C 307942567 572808203 /nfs/dbraw/zinc/80/82/03/572808203.db2.gz DGMLSJUSFSZZNU-UHFFFAOYSA-N 0 0 172.224 1.555 10 0 ADAERN CCCCC[C@H](O)[C@](C)(O)C(C)=O 196694914 572808204 /nfs/dbraw/zinc/80/82/04/572808204.db2.gz CMZHWSJSHPNMKQ-VHSXEESVSA-N 0 0 188.267 1.268 10 0 ADAERN O[C@@H](CCC(F)(F)F)[C@@H](O)C1CC1 236524762 572808219 /nfs/dbraw/zinc/80/82/19/572808219.db2.gz GLDBFUODCZHEBP-BQBZGAKWSA-N 0 0 198.184 1.461 10 0 ADAERN Cc1sccc1C[NH2+]CCC(=O)[O-] 308138136 572808267 /nfs/dbraw/zinc/80/82/67/572808267.db2.gz QEGQKYNIYUEFQT-UHFFFAOYSA-N 0 0 199.275 1.621 10 0 ADAERN CC[C@H](C)S(=O)(=O)NCC(C)C 307943043 572808295 /nfs/dbraw/zinc/80/82/95/572808295.db2.gz DZWDLXYKVUTMBH-QMMMGPOBSA-N 0 0 193.312 1.360 10 0 ADAERN CC(C)(F)C(=O)OCC1(F)CC1 308134053 572815435 /nfs/dbraw/zinc/81/54/35/572815435.db2.gz ZDVPSZSTALVAFW-UHFFFAOYSA-N 0 0 178.178 1.780 10 0 ADAERN CC(C)Oc1ccc(O)c(C(N)=O)c1 71455265 572808356 /nfs/dbraw/zinc/80/83/56/572808356.db2.gz DVROOGCGBOTFKF-UHFFFAOYSA-N 0 0 195.218 1.278 10 0 ADAERN CC(C)[C@H](C)C(=O)OC1COC1 307943778 572808374 /nfs/dbraw/zinc/80/83/74/572808374.db2.gz FZXAIFOTUJJEMB-ZETCQYMHSA-N 0 0 172.224 1.221 10 0 ADAERN C[C@@H]1N=C(c2ccccc2)NO1 196694154 572808405 /nfs/dbraw/zinc/80/84/05/572808405.db2.gz ANCWHEUDSFCFRY-SSDOTTSWSA-N 0 0 162.192 1.314 10 0 ADAERN COC(C)(C)C[C@@H](O)C(F)(F)F 234601334 572816515 /nfs/dbraw/zinc/81/65/15/572816515.db2.gz WXAGRFLIMGGIMX-RXMQYKEDSA-N 0 0 186.173 1.725 10 0 ADAERN C[C@H](O)C[C@@H](C)[S@](=O)C(C)(C)C 307942819 572808443 /nfs/dbraw/zinc/80/84/43/572808443.db2.gz QLQSDQCLGYGPJD-SXMVTHIZSA-N 0 0 192.324 1.693 10 0 ADAERN CC(C)(O)[C@@H]1CC(=O)CCS1 196699011 572808452 /nfs/dbraw/zinc/80/84/52/572808452.db2.gz ZPTJJDVEJIEXEK-ZETCQYMHSA-N 0 0 174.265 1.222 10 0 ADAERN CONCc1coc(C2CCC2)n1 75086027 572808458 /nfs/dbraw/zinc/80/84/58/572808458.db2.gz APMNJKYKEIXGQB-UHFFFAOYSA-N 0 0 182.223 1.593 10 0 ADAERN CC[C@H](C)OC(=O)C1=COCC1 307943416 572808516 /nfs/dbraw/zinc/80/85/16/572808516.db2.gz FNKPVFWKDJPNBI-ZETCQYMHSA-N 0 0 170.208 1.632 10 0 ADAERN CCONCc1cccc(Cl)n1 308137965 572808526 /nfs/dbraw/zinc/80/85/26/572808526.db2.gz FKLZCVTXKWBCCS-UHFFFAOYSA-N 0 0 186.642 1.776 10 0 ADAERN Nc1cc2c(cc1Cl)C(=O)C[C@@H]2[NH3+] 713760158 572808549 /nfs/dbraw/zinc/80/85/49/572808549.db2.gz KMDWYSHLMHKCDZ-ZETCQYMHSA-N 0 0 196.637 1.508 10 0 ADAERN CC(=O)COC(=O)c1sccc1C 308138357 572808569 /nfs/dbraw/zinc/80/85/69/572808569.db2.gz GUMYKHFUMLPDQA-UHFFFAOYSA-N 0 0 198.243 1.802 10 0 ADAERN CC(=O)COC(=O)c1cnc(C)s1 308138636 572808571 /nfs/dbraw/zinc/80/85/71/572808571.db2.gz GWYPETKGPBIVNM-UHFFFAOYSA-N 0 0 199.231 1.197 10 0 ADAERN CONCc1cnc(C(C)C)nc1 75085945 572808581 /nfs/dbraw/zinc/80/85/81/572808581.db2.gz ADPRCFSMTGMZLB-UHFFFAOYSA-N 0 0 181.239 1.251 10 0 ADAERN BrC1=COCCO1 196690713 572808616 /nfs/dbraw/zinc/80/86/16/572808616.db2.gz CKHBXESEXIJKOJ-UHFFFAOYSA-N 0 0 164.986 1.227 10 0 ADAERN CCc1nc(OC)ncc1C(C)=O 75085849 572808621 /nfs/dbraw/zinc/80/86/21/572808621.db2.gz ICHWLZVMJCKFES-UHFFFAOYSA-N 0 0 180.207 1.250 10 0 ADAERN CCOC[C@@H](C)OC(=O)CSC 308137562 572808622 /nfs/dbraw/zinc/80/86/22/572808622.db2.gz FGEAIUSROBLSBF-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CC(C)[C@@H](C)C(=O)OC1COC1 307943777 572808623 /nfs/dbraw/zinc/80/86/23/572808623.db2.gz FZXAIFOTUJJEMB-SSDOTTSWSA-N 0 0 172.224 1.221 10 0 ADAERN CC/C=C\C(=O)N[C@H]1CC1(C)C 307943414 572808634 /nfs/dbraw/zinc/80/86/34/572808634.db2.gz FNIQSRISIHZIAE-SLGIHZDVSA-N 0 0 167.252 1.867 10 0 ADAERN C[C@H](SC(C)(C)C)C(=O)N(C)C 307942855 572808688 /nfs/dbraw/zinc/80/86/88/572808688.db2.gz DQNIXAICHJLFNH-ZETCQYMHSA-N 0 0 189.324 1.995 10 0 ADAERN COC(=O)C=CNCC1(C)CC1 307942828 572808722 /nfs/dbraw/zinc/80/87/22/572808722.db2.gz QMSHJDSCHSJTOF-UTCJRWHESA-N 0 0 169.224 1.063 10 0 ADAERN CCc1ccc(C(N)=S)cn1 196697179 572808730 /nfs/dbraw/zinc/80/87/30/572808730.db2.gz OGDRAXYLYFPHNB-UHFFFAOYSA-N 0 0 166.249 1.278 10 0 ADAERN CCON(C)C(=O)[C@H]1CC1(C)C 308138513 572808731 /nfs/dbraw/zinc/80/87/31/572808731.db2.gz FPOXQSRJSMYQMI-SSDOTTSWSA-N 0 0 171.240 1.442 10 0 ADAERN C/C=C/CCNC(=S)NCCC 307943765 572808737 /nfs/dbraw/zinc/80/87/37/572808737.db2.gz FZFOLLQYVRKIAM-HWKANZROSA-N 0 0 186.324 1.827 10 0 ADAERN C[C@H](O)C[C@H](C)[S@](=O)C(C)(C)C 307942821 572808757 /nfs/dbraw/zinc/80/87/57/572808757.db2.gz QLQSDQCLGYGPJD-UBJUHAIHSA-N 0 0 192.324 1.693 10 0 ADAERN C[C@H]([NH3+])c1cnnn1CCC1CC1 308138392 572808758 /nfs/dbraw/zinc/80/87/58/572808758.db2.gz JPZWMJZSICMAQZ-ZETCQYMHSA-N 0 0 180.255 1.098 10 0 ADAERN C[C@@H]1CO[C@H](O)C(C)(C)C1 196700299 572811067 /nfs/dbraw/zinc/81/10/67/572811067.db2.gz XUJNIXXXFHGACG-BQBZGAKWSA-N 0 0 144.214 1.387 10 0 ADAERN CCC(=O)O[C@H](C)C(=O)C1CC1 307943185 572808777 /nfs/dbraw/zinc/80/87/77/572808777.db2.gz FFLXYOPQLHNUKR-ZCFIWIBFSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1nc2n(c1C=O)[C@H](C)CCC2 49805445 572808779 /nfs/dbraw/zinc/80/87/79/572808779.db2.gz OOGPMECKJOWFTD-SSDOTTSWSA-N 0 0 178.235 1.901 10 0 ADAERN CCn1nccc1/C=C\[C@H](C)O 307942882 572808798 /nfs/dbraw/zinc/80/87/98/572808798.db2.gz DSNTYARXZCWMQZ-LGYSABEFSA-N 0 0 166.224 1.297 10 0 ADAERN CC[C@H](F)COc1nc(C)no1 307942921 572808804 /nfs/dbraw/zinc/80/88/04/572808804.db2.gz DUGGAMUIZNPTND-LURJTMIESA-N 0 0 174.175 1.505 10 0 ADAERN CC[C@@H](C)Oc1ncc(CO)cn1 308137226 572808814 /nfs/dbraw/zinc/80/88/14/572808814.db2.gz IWPDCLVDJMKFCL-SSDOTTSWSA-N 0 0 182.223 1.146 10 0 ADAERN CCSCCNc1nccc(N)n1 308137244 572808818 /nfs/dbraw/zinc/80/88/18/572808818.db2.gz IYEIATZQLFGREO-UHFFFAOYSA-N 0 0 198.295 1.224 10 0 ADAERN Cc1cccc(C(CO)CO)c1 49804856 572808844 /nfs/dbraw/zinc/80/88/44/572808844.db2.gz CWIHYTJSENZRKD-UHFFFAOYSA-N 0 0 166.220 1.063 10 0 ADAERN CCCOC(=O)C1=COCCC1 307942758 572808849 /nfs/dbraw/zinc/80/88/49/572808849.db2.gz DMHVULVKGSNDIG-UHFFFAOYSA-N 0 0 170.208 1.634 10 0 ADAERN CC[C@H](C)NC(=O)/C=C\C1CC1 307942780 572808855 /nfs/dbraw/zinc/80/88/55/572808855.db2.gz DMUNGTGTVCDIOX-UAPHAKCISA-N 0 0 167.252 1.867 10 0 ADAERN CC[C@H](C)Oc1ncc(CO)cn1 308137227 572808856 /nfs/dbraw/zinc/80/88/56/572808856.db2.gz IWPDCLVDJMKFCL-ZETCQYMHSA-N 0 0 182.223 1.146 10 0 ADAERN Cc1ccc([C@@H](O)CON)c(C)c1 49805707 572808877 /nfs/dbraw/zinc/80/88/77/572808877.db2.gz FSDWIPONTNZRSV-JTQLQIEISA-N 0 0 181.235 1.227 10 0 ADAERN CONCc1c(C)coc1C 75085099 572808891 /nfs/dbraw/zinc/80/88/91/572808891.db2.gz DVWJTQDNRSBYOS-UHFFFAOYSA-N 0 0 155.197 1.547 10 0 ADAERN CC(C)OCC(=O)O[C@H](C)C(C)C 308135724 572819125 /nfs/dbraw/zinc/81/91/25/572819125.db2.gz FDCXKGAEQSOZHK-SECBINFHSA-N 0 0 188.267 1.999 10 0 ADAERN Cc1ccc([C@H](O)CON)c(C)c1 49805706 572808901 /nfs/dbraw/zinc/80/89/01/572808901.db2.gz FSDWIPONTNZRSV-SNVBAGLBSA-N 0 0 181.235 1.227 10 0 ADAERN CCC[C@H]1C[C@@H]1C(=O)N(C)OC 307943402 572808904 /nfs/dbraw/zinc/80/89/04/572808904.db2.gz FMVDTTDIHZKKAT-YUMQZZPRSA-N 0 0 171.240 1.442 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CCC(=O)C1 196695485 572808914 /nfs/dbraw/zinc/80/89/14/572808914.db2.gz NTWWJKSOTLMPTF-SSDOTTSWSA-N 0 0 168.236 1.971 10 0 ADAERN CCOCC(=O)OC[Si](C)(C)C 308138114 572808921 /nfs/dbraw/zinc/80/89/21/572808921.db2.gz FPIFIOAEGYYCGQ-UHFFFAOYSA-N 0 0 190.315 1.444 10 0 ADAERN C[C@@H](CC(F)F)NC(=O)C1(C)CC1 308138328 572808969 /nfs/dbraw/zinc/80/89/69/572808969.db2.gz GSJQQWODCAIREB-LURJTMIESA-N 0 0 191.221 1.946 10 0 ADAERN Cc1ccc(C(CO)CO)c(C)c1 49805633 572808984 /nfs/dbraw/zinc/80/89/84/572808984.db2.gz NQRFAVWVYIKKQW-UHFFFAOYSA-N 0 0 180.247 1.372 10 0 ADAERN Cc1cc2c([nH]c1=O)CC[C@H](C)C2 49805404 572809020 /nfs/dbraw/zinc/80/90/20/572809020.db2.gz FHMOBZCGVANEAY-ZETCQYMHSA-N 0 0 177.247 1.808 10 0 ADAERN Cc1ccc(OC(=O)[C@H](C)N)cc1 49805523 572809045 /nfs/dbraw/zinc/80/90/45/572809045.db2.gz ZHUGAPDICWMYFB-QMMMGPOBSA-N 0 0 179.219 1.248 10 0 ADAERN ONC[C@@H](O)c1ccccc1Cl 49806208 572811166 /nfs/dbraw/zinc/81/11/66/572811166.db2.gz FWSZKIHOSQYJIS-MRVPVSSYSA-N 0 0 187.626 1.352 10 0 ADAERN CN1CCO[C@@H]1c1cccc(O)c1 49805505 572809067 /nfs/dbraw/zinc/80/90/67/572809067.db2.gz XPEZRMPGLVFWPD-SNVBAGLBSA-N 0 0 179.219 1.353 10 0 ADAERN Cc1ccc(OC(=O)CN)c(C)c1 49805530 572809121 /nfs/dbraw/zinc/80/91/21/572809121.db2.gz NOFGSGVCJHOGRN-UHFFFAOYSA-N 0 0 179.219 1.168 10 0 ADAERN Cn1ccnc1C(=O)CCCCF 308137188 572809164 /nfs/dbraw/zinc/80/91/64/572809164.db2.gz ITQTYMCXZHZNOF-UHFFFAOYSA-N 0 0 184.214 1.743 10 0 ADAERN O[C@@H](CCC1CC1)[C@@H](O)C1CC1 236526497 572809221 /nfs/dbraw/zinc/80/92/21/572809221.db2.gz ARBVXCFBXXLCSA-UWVGGRQHSA-N 0 0 170.252 1.308 10 0 ADAERN C[C@H]1CCCc2cc(C=O)c(=O)[nH]c21 49806689 572809225 /nfs/dbraw/zinc/80/92/25/572809225.db2.gz KMSWBHYNXJIGRS-ZETCQYMHSA-N 0 0 191.230 1.627 10 0 ADAERN ONC[C@H](O)c1cccc(Cl)c1 49806211 572809230 /nfs/dbraw/zinc/80/92/30/572809230.db2.gz KDYROWLTEZZHEX-QMMMGPOBSA-N 0 0 187.626 1.352 10 0 ADAERN C[C@H](O)C(=O)OCc1cccs1 308138536 572809240 /nfs/dbraw/zinc/80/92/40/572809240.db2.gz FRSZMEFCVPWYRE-LURJTMIESA-N 0 0 186.232 1.172 10 0 ADAERN CC[C@@H](F)COc1nc(C)no1 307942922 572809306 /nfs/dbraw/zinc/80/93/06/572809306.db2.gz DUGGAMUIZNPTND-ZCFIWIBFSA-N 0 0 174.175 1.505 10 0 ADAERN CCCC[C@@H](O)c1cnn(C)n1 307942537 572809321 /nfs/dbraw/zinc/80/93/21/572809321.db2.gz DETUATHMAKFUFR-MRVPVSSYSA-N 0 0 169.228 1.039 10 0 ADAERN CCC[C@H]1C[C@H]1C(=O)N(C)OC 307943400 572809358 /nfs/dbraw/zinc/80/93/58/572809358.db2.gz FMVDTTDIHZKKAT-JGVFFNPUSA-N 0 0 171.240 1.442 10 0 ADAERN CCONC(=O)C[C@H](C)C1CC1 308137074 572809354 /nfs/dbraw/zinc/80/93/54/572809354.db2.gz DZGJRJTYZFWZAI-ZETCQYMHSA-N 0 0 171.240 1.490 10 0 ADAERN CC[C@@H](C)NC(=O)/C=C\C1CC1 307942778 572809375 /nfs/dbraw/zinc/80/93/75/572809375.db2.gz DMUNGTGTVCDIOX-NFXKFNAJSA-N 0 0 167.252 1.867 10 0 ADAERN OCC(CO)c1ccccc1Cl 49806147 572809382 /nfs/dbraw/zinc/80/93/82/572809382.db2.gz KZISAMSMWFFARH-UHFFFAOYSA-N 0 0 186.638 1.408 10 0 ADAERN CC[C@@H](C)OC(=O)C1=COCC1 307943415 572809383 /nfs/dbraw/zinc/80/93/83/572809383.db2.gz FNKPVFWKDJPNBI-SSDOTTSWSA-N 0 0 170.208 1.632 10 0 ADAERN C/C=C\CCNC(=S)NCCC 307943766 572809395 /nfs/dbraw/zinc/80/93/95/572809395.db2.gz FZFOLLQYVRKIAM-HYXAFXHYSA-N 0 0 186.324 1.827 10 0 ADAERN C[C@H](N)C(=O)Oc1ccccc1F 49805810 572809397 /nfs/dbraw/zinc/80/93/97/572809397.db2.gz MGMUZJMCASKCDL-LURJTMIESA-N 0 0 183.182 1.078 10 0 ADAERN O=c1c2ccccc1CC=CC2 196685127 572809421 /nfs/dbraw/zinc/80/94/21/572809421.db2.gz IWJCEABNJHWUOU-UHFFFAOYSA-N 0 0 158.200 1.702 10 0 ADAERN Cc1ccc([C@H](O)CNO)c(C)c1 49805704 572809423 /nfs/dbraw/zinc/80/94/23/572809423.db2.gz WVSMDUDTAXSJOI-SNVBAGLBSA-N 0 0 181.235 1.316 10 0 ADAERN CCOC(=O)/C=C\[C@H](C)[C@H](C)O 307943537 572809424 /nfs/dbraw/zinc/80/94/24/572809424.db2.gz SNMNXYHMRNFYDS-WXSHZEGDSA-N 0 0 172.224 1.123 10 0 ADAERN O[C@@H](CCC1CC1)C1(O)CCCC1 236526210 572809435 /nfs/dbraw/zinc/80/94/35/572809435.db2.gz JAMQMRWPTVFOLL-JTQLQIEISA-N 0 0 184.279 1.843 10 0 ADAERN CCn1nccc1/C=C\[C@@H](C)O 307942883 572809452 /nfs/dbraw/zinc/80/94/52/572809452.db2.gz DSNTYARXZCWMQZ-PULIVWKDSA-N 0 0 166.224 1.297 10 0 ADAERN ONCc1ccnc(Cl)c1 75085169 572809462 /nfs/dbraw/zinc/80/94/62/572809462.db2.gz KJCXLHJCHBSIID-UHFFFAOYSA-N 0 0 158.588 1.214 10 0 ADAERN CN1CCO[C@@H]1c1ccccc1F 49805682 572809463 /nfs/dbraw/zinc/80/94/63/572809463.db2.gz UROSOVGBCBXJHT-SNVBAGLBSA-N 0 0 181.210 1.786 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1.946 10 0 ADAERN Cc1ccc(OC(=O)[C@@H](C)N)cc1 49805522 572809523 /nfs/dbraw/zinc/80/95/23/572809523.db2.gz ZHUGAPDICWMYFB-MRVPVSSYSA-N 0 0 179.219 1.248 10 0 ADAERN CONCc1cc(Cl)ccn1 75085601 572809528 /nfs/dbraw/zinc/80/95/28/572809528.db2.gz NZYBLNIIVVXMJZ-UHFFFAOYSA-N 0 0 172.615 1.386 10 0 ADAERN Cc1cc(C)cc(OC(=O)CN)c1 49805532 572809531 /nfs/dbraw/zinc/80/95/31/572809531.db2.gz ZFRNXCOILJKVHJ-UHFFFAOYSA-N 0 0 179.219 1.168 10 0 ADAERN Cc1ccc(-c2nonc2N)c(C)c1 49806396 572809544 /nfs/dbraw/zinc/80/95/44/572809544.db2.gz MOVHVJHFFSYCNI-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CNC(=O)C(=O)c1ccc(C)c(C)c1 49806678 572809551 /nfs/dbraw/zinc/80/95/51/572809551.db2.gz DSKMFGCESUFVCR-UHFFFAOYSA-N 0 0 191.230 1.232 10 0 ADAERN Cc1nc2n(c1C=O)CCC[C@H]2C 49805440 572809568 /nfs/dbraw/zinc/80/95/68/572809568.db2.gz DFVKPWQUVVPZOS-SSDOTTSWSA-N 0 0 178.235 1.901 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H](c2cc[nH]c2)[NH2+]1 713759835 572809585 /nfs/dbraw/zinc/80/95/85/572809585.db2.gz LCRWXYHRKJCRAV-DTWKUNHWSA-N 0 0 194.234 1.283 10 0 ADAERN O=C(CCC1CC1)[C@H](O)C1CC1 236524971 572809591 /nfs/dbraw/zinc/80/95/91/572809591.db2.gz UEHLDMLKVHXTEN-SNVBAGLBSA-N 0 0 168.236 1.517 10 0 ADAERN CC(C)[N@@H+](C1CCC1)[C@@H](C)C(=O)[O-] 308138291 572809599 /nfs/dbraw/zinc/80/95/99/572809599.db2.gz GOUYITCETKVXHI-QMMMGPOBSA-N 0 0 185.267 1.722 10 0 ADAERN Nc1cc2c(cc1Cl)C(=O)C[C@H]2[NH3+] 713760152 572809603 /nfs/dbraw/zinc/80/96/03/572809603.db2.gz KMDWYSHLMHKCDZ-SSDOTTSWSA-N 0 0 196.637 1.508 10 0 ADAERN CC(=O)NOCCc1cccs1 307942580 572809605 /nfs/dbraw/zinc/80/96/05/572809605.db2.gz DGUJRQFBECKFGX-UHFFFAOYSA-N 0 0 185.248 1.358 10 0 ADAERN CONCc1cnc(C2CC2)o1 75085386 572809622 /nfs/dbraw/zinc/80/96/22/572809622.db2.gz GUJIFOLUCUGEDS-UHFFFAOYSA-N 0 0 168.196 1.203 10 0 ADAERN Cc1cccc(OC(=O)[C@H](C)N)c1 49805520 572809663 /nfs/dbraw/zinc/80/96/63/572809663.db2.gz QCVIFHGSIVJCPV-QMMMGPOBSA-N 0 0 179.219 1.248 10 0 ADAERN O=C(Cc1cccs1)[C@H](O)C1CC1 236525583 572811175 /nfs/dbraw/zinc/81/11/75/572811175.db2.gz ZEZQZOLIKPRWCU-SNVBAGLBSA-N 0 0 196.271 1.631 10 0 ADAERN C=C/C=C\CC(=O)OCC 198813725 572809718 /nfs/dbraw/zinc/80/97/18/572809718.db2.gz OJIDZYAEUPOBSI-WAYWQWQTSA-N 0 0 140.182 1.682 10 0 ADAERN ONC[C@H](O)c1ccccc1Cl 49806209 572809728 /nfs/dbraw/zinc/80/97/28/572809728.db2.gz FWSZKIHOSQYJIS-QMMMGPOBSA-N 0 0 187.626 1.352 10 0 ADAERN CN1CCO[C@H]1c1cccs1 49804954 572809735 /nfs/dbraw/zinc/80/97/35/572809735.db2.gz KYYBOOLCSFWYNI-QMMMGPOBSA-N 0 0 169.249 1.709 10 0 ADAERN Cc1cc2c([nH]c1=O)C[C@@H](C)CC2 49805403 572809757 /nfs/dbraw/zinc/80/97/57/572809757.db2.gz CAVHWHCWKBOUSU-ZETCQYMHSA-N 0 0 177.247 1.808 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H](c2cc[nH]c2)[NH2+]1 713759829 572809763 /nfs/dbraw/zinc/80/97/63/572809763.db2.gz LCRWXYHRKJCRAV-BDAKNGLRSA-N 0 0 194.234 1.283 10 0 ADAERN C[C@@H](SC(C)(C)C)C(=O)N(C)C 307942853 572809773 /nfs/dbraw/zinc/80/97/73/572809773.db2.gz DQNIXAICHJLFNH-SSDOTTSWSA-N 0 0 189.324 1.995 10 0 ADAERN CC[C@H](NC(=O)NOC)C(C)C 307943379 572809797 /nfs/dbraw/zinc/80/97/97/572809797.db2.gz FLIAMFQODPXWRN-ZETCQYMHSA-N 0 0 174.244 1.282 10 0 ADAERN C[C@H](N)C(=O)c1ccc(Cl)cn1 75086238 572809856 /nfs/dbraw/zinc/80/98/56/572809856.db2.gz IONKDOZAUXBSNX-YFKPBYRVSA-N 0 0 184.626 1.265 10 0 ADAERN Cc1[nH]c2ccccc2c1C(=O)CN 49806280 572809863 /nfs/dbraw/zinc/80/98/63/572809863.db2.gz LUQZOUUTZNQVFO-UHFFFAOYSA-N 0 0 188.230 1.618 10 0 ADAERN CC(C)COC(=O)[C@H]1CCC[C@H]1O 308138622 572809876 /nfs/dbraw/zinc/80/98/76/572809876.db2.gz GWEFGZNXXUXSMC-DTWKUNHWSA-N 0 0 186.251 1.347 10 0 ADAERN ONC[C@@H](O)c1ccc(Cl)cc1 49806212 572809877 /nfs/dbraw/zinc/80/98/77/572809877.db2.gz OPUZQOFMJLPZPQ-MRVPVSSYSA-N 0 0 187.626 1.352 10 0 ADAERN CC[C@@H](O)[C@H](O)CC1(C)CCC1 308133328 572811183 /nfs/dbraw/zinc/81/11/83/572811183.db2.gz YUWGIYOLAKSDBV-RKDXNWHRSA-N 0 0 172.268 1.699 10 0 ADAERN Cc1cccc([C@H](O)CNO)c1 49804876 572809915 /nfs/dbraw/zinc/80/99/15/572809915.db2.gz BMNRGGQYMFDUMF-SECBINFHSA-N 0 0 167.208 1.007 10 0 ADAERN Cc1nc2n(c1C=O)CCC[C@@H]2C 49805441 572809926 /nfs/dbraw/zinc/80/99/26/572809926.db2.gz DFVKPWQUVVPZOS-ZETCQYMHSA-N 0 0 178.235 1.901 10 0 ADAERN Cc1cc2c([nH]c1=O)C[C@H](C)CC2 49805402 572811186 /nfs/dbraw/zinc/81/11/86/572811186.db2.gz CAVHWHCWKBOUSU-SSDOTTSWSA-N 0 0 177.247 1.808 10 0 ADAERN Cc1cccc(OC(=O)[C@@H](C)N)c1 49805519 572809943 /nfs/dbraw/zinc/80/99/43/572809943.db2.gz QCVIFHGSIVJCPV-MRVPVSSYSA-N 0 0 179.219 1.248 10 0 ADAERN CCc1ccc(C(=O)C(=O)NC)cc1 49806677 572809958 /nfs/dbraw/zinc/80/99/58/572809958.db2.gz FHTJGGOPDIYTDB-UHFFFAOYSA-N 0 0 191.230 1.178 10 0 ADAERN CCc1csc(CNOC)c1 75085551 572810006 /nfs/dbraw/zinc/81/00/06/572810006.db2.gz YMULSIJXGWCCLI-UHFFFAOYSA-N 0 0 171.265 1.962 10 0 ADAERN O=C1C[C@]2(CC2(Cl)Cl)O1 196693541 572810014 /nfs/dbraw/zinc/81/00/14/572810014.db2.gz WGNJKDDWVWVSFL-SCSAIBSYSA-N 0 0 166.991 1.250 10 0 ADAERN CCC(=O)O[C@@H](C)C(=O)C1CC1 307943184 572810017 /nfs/dbraw/zinc/81/00/17/572810017.db2.gz FFLXYOPQLHNUKR-LURJTMIESA-N 0 0 170.208 1.307 10 0 ADAERN CNC(=O)C(=O)c1cc(C)ccc1C 49806679 572810026 /nfs/dbraw/zinc/81/00/26/572810026.db2.gz SPKFCPCWPJRALG-UHFFFAOYSA-N 0 0 191.230 1.232 10 0 ADAERN CC1(C)C[C@H]1C[NH2+]Cc1cnns1 308138219 572810034 /nfs/dbraw/zinc/81/00/34/572810034.db2.gz ADCXMVJNOTZZST-ZETCQYMHSA-N 0 0 197.307 1.674 10 0 ADAERN O[C@@H](CCC(F)(F)F)[C@H](O)C1CC1 236524916 572810073 /nfs/dbraw/zinc/81/00/73/572810073.db2.gz GLDBFUODCZHEBP-NKWVEPMBSA-N 0 0 198.184 1.461 10 0 ADAERN O=C1Cc2cc3ccccc3nc2N1 196696765 572810091 /nfs/dbraw/zinc/81/00/91/572810091.db2.gz JLKYVBARONUDFB-UHFFFAOYSA-N 0 0 184.198 1.729 10 0 ADAERN CCN(OC)C(=O)CCC(F)F 307943398 572810107 /nfs/dbraw/zinc/81/01/07/572810107.db2.gz FMUWLGBIMDUAQR-UHFFFAOYSA-N 0 0 181.182 1.442 10 0 ADAERN CC(=O)CCCOc1ccccn1 308139130 572811199 /nfs/dbraw/zinc/81/11/99/572811199.db2.gz HIMVPYKZJMAUIP-UHFFFAOYSA-N 0 0 179.219 1.830 10 0 ADAERN CCC[C@@H]1C[C@@H]1C(=O)N(C)OC 307943401 572810153 /nfs/dbraw/zinc/81/01/53/572810153.db2.gz FMVDTTDIHZKKAT-SFYZADRCSA-N 0 0 171.240 1.442 10 0 ADAERN C[C@@H]1CCc2[nH]c(=O)c(C=O)cc2C1 49806692 572810186 /nfs/dbraw/zinc/81/01/86/572810186.db2.gz AWPKACOSPSJVEZ-SSDOTTSWSA-N 0 0 191.230 1.312 10 0 ADAERN ONC[C@H](O)c1ccc(Cl)cc1 49806213 572810209 /nfs/dbraw/zinc/81/02/09/572810209.db2.gz OPUZQOFMJLPZPQ-QMMMGPOBSA-N 0 0 187.626 1.352 10 0 ADAERN Nc1cc2c(cc1F)NCCC(=O)N2 75122157 572811205 /nfs/dbraw/zinc/81/12/05/572811205.db2.gz OIGSCEMYAKGVJH-UHFFFAOYSA-N 0 0 195.197 1.162 10 0 ADAERN CCCC[C@H](O)c1cnn(C)n1 307942539 572810277 /nfs/dbraw/zinc/81/02/77/572810277.db2.gz DETUATHMAKFUFR-QMMMGPOBSA-N 0 0 169.228 1.039 10 0 ADAERN Cc1cccc([C@@H](O)CNO)c1 49804877 572810310 /nfs/dbraw/zinc/81/03/10/572810310.db2.gz BMNRGGQYMFDUMF-VIFPVBQESA-N 0 0 167.208 1.007 10 0 ADAERN CNC(=O)C(=O)c1ccc(C)cc1C 49806680 572811209 /nfs/dbraw/zinc/81/12/09/572811209.db2.gz MGGGHVUNTPITLG-UHFFFAOYSA-N 0 0 191.230 1.232 10 0 ADAERN CCc1ncnc(OC)c1C(C)=O 75085847 572810316 /nfs/dbraw/zinc/81/03/16/572810316.db2.gz OQJLFBAEINRPNL-UHFFFAOYSA-N 0 0 180.207 1.250 10 0 ADAERN CC(C)COC(=O)[C@H]1CCC[C@@H]1O 308138623 572810321 /nfs/dbraw/zinc/81/03/21/572810321.db2.gz GWEFGZNXXUXSMC-IUCAKERBSA-N 0 0 186.251 1.347 10 0 ADAERN CCC(=O)NCCSCC1CC1 307942527 572810390 /nfs/dbraw/zinc/81/03/90/572810390.db2.gz DENMFAVKXLIBFZ-UHFFFAOYSA-N 0 0 187.308 1.656 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H](c2cc[nH]c2)[NH2+]1 713759844 572810397 /nfs/dbraw/zinc/81/03/97/572810397.db2.gz LCRWXYHRKJCRAV-IUCAKERBSA-N 0 0 194.234 1.283 10 0 ADAERN Cc1ccc([C@@H](O)CNO)cc1 49804879 572810421 /nfs/dbraw/zinc/81/04/21/572810421.db2.gz GKMKUKZDLAPLAE-VIFPVBQESA-N 0 0 167.208 1.007 10 0 ADAERN Cc1ccc(C)c([C@H](O)CON)c1 49805700 572810450 /nfs/dbraw/zinc/81/04/50/572810450.db2.gz OONSHBJKBXPVKU-SNVBAGLBSA-N 0 0 181.235 1.227 10 0 ADAERN Cc1cccc(NC(=O)CCO)c1 49805509 572810459 /nfs/dbraw/zinc/81/04/59/572810459.db2.gz XQSBIHINKQQZOI-UHFFFAOYSA-N 0 0 179.219 1.316 10 0 ADAERN C[C@@H]1CCc2cc(CO)cnc2C1 49805396 572810461 /nfs/dbraw/zinc/81/04/61/572810461.db2.gz RLVQWLXOGDURSL-MRVPVSSYSA-N 0 0 177.247 1.699 10 0 ADAERN C[C@@H](N)C(=O)c1ccc(Cl)cn1 75086240 572810464 /nfs/dbraw/zinc/81/04/64/572810464.db2.gz IONKDOZAUXBSNX-RXMQYKEDSA-N 0 0 184.626 1.265 10 0 ADAERN CCC[C@@H]1C[C@H]1C(=O)N(C)OC 307943399 572810476 /nfs/dbraw/zinc/81/04/76/572810476.db2.gz FMVDTTDIHZKKAT-HTQZYQBOSA-N 0 0 171.240 1.442 10 0 ADAERN CCN(CC)CC(=O)C(F)(F)F 307942771 572810505 /nfs/dbraw/zinc/81/05/05/572810505.db2.gz DMTJYSXIMANJJD-UHFFFAOYSA-N 0 0 183.173 1.460 10 0 ADAERN Cc1nc2n(c1C=O)CC[C@@H](C)C2 49805442 572810510 /nfs/dbraw/zinc/81/05/10/572810510.db2.gz SIRRJJNKABHYGU-SSDOTTSWSA-N 0 0 178.235 1.586 10 0 ADAERN CN(CC(F)(F)C(F)F)C1CC1 308138597 572810531 /nfs/dbraw/zinc/81/05/31/572810531.db2.gz FWHZVDKHDLYZBF-UHFFFAOYSA-N 0 0 185.164 1.981 10 0 ADAERN Cc1cccc(C)c1OC(=O)CN 49805528 572810538 /nfs/dbraw/zinc/81/05/38/572810538.db2.gz OMMSBHSKRYLKPD-UHFFFAOYSA-N 0 0 179.219 1.168 10 0 ADAERN Cc1ccc([C@H](O)CON)cc1C 49805696 572810554 /nfs/dbraw/zinc/81/05/54/572810554.db2.gz KRZLUCMRMOVHDD-SNVBAGLBSA-N 0 0 181.235 1.227 10 0 ADAERN OC[C@@]12CC[C@@H](O1)c1ccccc12 196694523 572810560 /nfs/dbraw/zinc/81/05/60/572810560.db2.gz MHQIDSXPJFMAAL-GHMZBOCLSA-N 0 0 176.215 1.739 10 0 ADAERN Cc1cc(C(=O)OCC(C)C)no1 308138326 572810624 /nfs/dbraw/zinc/81/06/24/572810624.db2.gz GSIWLILZRLQEQA-UHFFFAOYSA-N 0 0 183.207 1.796 10 0 ADAERN Cc1ccc(OC(=O)CN)cc1C 49805533 572810669 /nfs/dbraw/zinc/81/06/69/572810669.db2.gz NJGVEAPSOKTBHE-UHFFFAOYSA-N 0 0 179.219 1.168 10 0 ADAERN CC1=C(C(=O)OCCO)CCC1 307943327 572810685 /nfs/dbraw/zinc/81/06/85/572810685.db2.gz FIFDXNVMWUSLMR-UHFFFAOYSA-N 0 0 170.208 1.022 10 0 ADAERN C[C@H]1CCc2cc(CO)cnc2C1 49805397 572811218 /nfs/dbraw/zinc/81/12/18/572811218.db2.gz RLVQWLXOGDURSL-QMMMGPOBSA-N 0 0 177.247 1.699 10 0 ADAERN Cc1ccc(C)c([C@@H](O)CNO)c1 49805699 572810692 /nfs/dbraw/zinc/81/06/92/572810692.db2.gz ORGIHTHVINDELW-JTQLQIEISA-N 0 0 181.235 1.316 10 0 ADAERN CN1CCO[C@H]1c1ccccc1F 49805683 572810695 /nfs/dbraw/zinc/81/06/95/572810695.db2.gz UROSOVGBCBXJHT-JTQLQIEISA-N 0 0 181.210 1.786 10 0 ADAERN Cc1nc2n(c1C=O)[C@@H](C)CCC2 49805444 572810706 /nfs/dbraw/zinc/81/07/06/572810706.db2.gz OOGPMECKJOWFTD-ZETCQYMHSA-N 0 0 178.235 1.901 10 0 ADAERN CCONCC[NH+]1CCCCC1 308138542 572810715 /nfs/dbraw/zinc/81/07/15/572810715.db2.gz FSSAXTGLCMFSPD-UHFFFAOYSA-N 0 0 172.272 1.013 10 0 ADAERN CN1CCO[C@@H]1c1cccs1 49804953 572810719 /nfs/dbraw/zinc/81/07/19/572810719.db2.gz KYYBOOLCSFWYNI-MRVPVSSYSA-N 0 0 169.249 1.709 10 0 ADAERN Cc1ccc([C@H](O)CNO)cc1C 49805694 572810749 /nfs/dbraw/zinc/81/07/49/572810749.db2.gz HZKXADLHAGJVML-SNVBAGLBSA-N 0 0 181.235 1.316 10 0 ADAERN CCc1ccc(-c2nonc2N)cc1 49806394 572810758 /nfs/dbraw/zinc/81/07/58/572810758.db2.gz QMPVKOPLHQCZRL-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN Cc1cccc(C)c1N(C)CCO 49805585 572810775 /nfs/dbraw/zinc/81/07/75/572810775.db2.gz AVNSSVQGOUUPFU-UHFFFAOYSA-N 0 0 179.263 1.732 10 0 ADAERN CC1(CC(=O)OC2COC2)CC1 307943373 572810780 /nfs/dbraw/zinc/81/07/80/572810780.db2.gz FKYUZLIOALBPKH-UHFFFAOYSA-N 0 0 170.208 1.119 10 0 ADAERN Cc1cc([C@H](O)CNO)ccc1F 49805952 572810799 /nfs/dbraw/zinc/81/07/99/572810799.db2.gz QHSDFUPBHVFICI-SECBINFHSA-N 0 0 185.198 1.146 10 0 ADAERN O=Cc1cc2c([nH]c1=O)CCCC2 49805377 572810813 /nfs/dbraw/zinc/81/08/13/572810813.db2.gz CTSUHJBMXAJLLM-UHFFFAOYSA-N 0 0 177.203 1.066 10 0 ADAERN CCCONC(=O)C1CCCC1 307942961 572810887 /nfs/dbraw/zinc/81/08/87/572810887.db2.gz DWLVZGCLXOQMDM-UHFFFAOYSA-N 0 0 171.240 1.634 10 0 ADAERN Cc1ccc([C@H](O)CNO)cc1 49804878 572810948 /nfs/dbraw/zinc/81/09/48/572810948.db2.gz GKMKUKZDLAPLAE-SECBINFHSA-N 0 0 167.208 1.007 10 0 ADAERN Cc1c(N)oc2c1NC(C)(C)C(=O)N2 75122250 572810973 /nfs/dbraw/zinc/81/09/73/572810973.db2.gz VNVMATQBIVVATF-UHFFFAOYSA-N 0 0 195.222 1.313 10 0 ADAERN Cc1cc([C@@H](O)CNO)ccc1F 49805953 572810985 /nfs/dbraw/zinc/81/09/85/572810985.db2.gz QHSDFUPBHVFICI-VIFPVBQESA-N 0 0 185.198 1.146 10 0 ADAERN CCc1nc2cccc3c2n1CCO3 49806279 572811236 /nfs/dbraw/zinc/81/12/36/572811236.db2.gz VBOZNPXCWPVTNJ-UHFFFAOYSA-N 0 0 188.230 1.991 10 0 ADAERN Cc1cccc(OC(=O)CN)c1C 49805531 572811012 /nfs/dbraw/zinc/81/10/12/572811012.db2.gz BSZTZSHBAAJOCY-UHFFFAOYSA-N 0 0 179.219 1.168 10 0 ADAERN C[C@@H]1CCc2cc(C=O)c(=O)[nH]c2C1 49806690 572811018 /nfs/dbraw/zinc/81/10/18/572811018.db2.gz WMTINOIJERTBBL-SSDOTTSWSA-N 0 0 191.230 1.312 10 0 ADAERN CN1CCO[C@H]1c1cccc(O)c1 49805506 572811045 /nfs/dbraw/zinc/81/10/45/572811045.db2.gz XPEZRMPGLVFWPD-JTQLQIEISA-N 0 0 179.219 1.353 10 0 ADAERN Nc1cncc(NCCCCF)n1 308138831 572811048 /nfs/dbraw/zinc/81/10/48/572811048.db2.gz QTFZAKBSQGQDOM-UHFFFAOYSA-N 0 0 184.218 1.220 10 0 ADAERN Cc1nc2n(c1C=O)CC[C@H](C)C2 49805443 572811060 /nfs/dbraw/zinc/81/10/60/572811060.db2.gz SIRRJJNKABHYGU-ZETCQYMHSA-N 0 0 178.235 1.586 10 0 ADAERN C[C@H](CC(F)F)NC(=O)NCCF 308138704 572811102 /nfs/dbraw/zinc/81/11/02/572811102.db2.gz HBEOKSYOFRUXCL-RXMQYKEDSA-N 0 0 198.188 1.299 10 0 ADAERN COC[C@@H](C)CN1CCCCO1 308139022 572811079 /nfs/dbraw/zinc/81/10/79/572811079.db2.gz FZQGQJRTBWMIDL-VIFPVBQESA-N 0 0 173.256 1.296 10 0 ADAERN Cc1ccc(C)c(OC(=O)CN)c1 49805529 572811081 /nfs/dbraw/zinc/81/10/81/572811081.db2.gz RRZDRSAJTTYYLP-UHFFFAOYSA-N 0 0 179.219 1.168 10 0 ADAERN CN1CCC(=O)[C@@H](CC(F)(F)F)C1 75122153 572811091 /nfs/dbraw/zinc/81/10/91/572811091.db2.gz QXSSFGHIIXPMMX-LURJTMIESA-N 0 0 195.184 1.460 10 0 ADAERN Cc1nc2cccc3c2n1CCO3 49805164 572811096 /nfs/dbraw/zinc/81/10/96/572811096.db2.gz KUQBYERXAPSMQO-UHFFFAOYSA-N 0 0 174.203 1.737 10 0 ADAERN CC(C)[C@H]1Nc2c(coc2N)NC1=O 75122261 572811115 /nfs/dbraw/zinc/81/11/15/572811115.db2.gz NYLDJAZKGDEEPA-ZCFIWIBFSA-N 0 0 195.222 1.250 10 0 ADAERN ONC[C@@H](O)c1cccc(Cl)c1 49806210 572811635 /nfs/dbraw/zinc/81/16/35/572811635.db2.gz KDYROWLTEZZHEX-MRVPVSSYSA-N 0 0 187.626 1.352 10 0 ADAERN CC(=O)CN(C)C(=O)[C@H](C)C1CC1 308139150 572811402 /nfs/dbraw/zinc/81/14/02/572811402.db2.gz HIXLLYUMSOZYTK-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CCCc2cc(C=O)c(=O)[nH]c21 49806688 572811574 /nfs/dbraw/zinc/81/15/74/572811574.db2.gz KMSWBHYNXJIGRS-SSDOTTSWSA-N 0 0 191.230 1.627 10 0 ADAERN C[C@@H]1CC(C)(C)CO[C@H]1O 196700245 572811463 /nfs/dbraw/zinc/81/14/63/572811463.db2.gz HSKDLLNDIKNNRE-RNFRBKRXSA-N 0 0 144.214 1.387 10 0 ADAERN CONCc1ccc(C(F)(F)F)o1 75086948 572811476 /nfs/dbraw/zinc/81/14/76/572811476.db2.gz PJXVZYUVJGFJSS-UHFFFAOYSA-N 0 0 195.140 1.949 10 0 ADAERN CONCc1cc2n(c1)CCSC2 75087517 572811505 /nfs/dbraw/zinc/81/15/05/572811505.db2.gz FGZIJTGOSJAWPE-UHFFFAOYSA-N 0 0 198.291 1.386 10 0 ADAERN Cc1ccc(C)c(-c2nonc2N)c1 49806395 572811507 /nfs/dbraw/zinc/81/15/07/572811507.db2.gz WTPHMCPHDGBUGQ-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN O=C(Cc1ccccc1)[C@H](O)C1CC1 236525524 572811482 /nfs/dbraw/zinc/81/14/82/572811482.db2.gz OGBYZNICJRDBFY-GFCCVEGCSA-N 0 0 190.242 1.569 10 0 ADAERN O=C(Cc1ccco1)[C@H](O)C1CC1 236525573 572811520 /nfs/dbraw/zinc/81/15/20/572811520.db2.gz SDQXKRLADVSPLP-SNVBAGLBSA-N 0 0 180.203 1.162 10 0 ADAERN CC(C)OC(=O)/C=C1\CCO[C@@H]1C 308139428 572811522 /nfs/dbraw/zinc/81/15/22/572811522.db2.gz HKRDPLAISWFHKZ-GTUWVTDSSA-N 0 0 184.235 1.673 10 0 ADAERN C/C=C\C(=O)OCc1ccno1 307943793 572811531 /nfs/dbraw/zinc/81/15/31/572811531.db2.gz GBSFQAKCPVSMED-IHWYPQMZSA-N 0 0 167.164 1.294 10 0 ADAERN C[C@H]1CC(C)(C)CO[C@H]1O 196700254 572811582 /nfs/dbraw/zinc/81/15/82/572811582.db2.gz HSKDLLNDIKNNRE-NKWVEPMBSA-N 0 0 144.214 1.387 10 0 ADAERN CCC[C@H](O)[C@@H](C)[C@H]1CCCO1 308133580 572811590 /nfs/dbraw/zinc/81/15/90/572811590.db2.gz YXUSCORVMYWMAL-KXUCPTDWSA-N 0 0 172.268 1.963 10 0 ADAERN CN1CCO[C@H]1c1ccc(O)cc1 49805502 572811603 /nfs/dbraw/zinc/81/16/03/572811603.db2.gz TYVBDKQUZNZDDW-JTQLQIEISA-N 0 0 179.219 1.353 10 0 ADAERN CC(C)[C@@H]1Nc2c(coc2N)NC1=O 75122262 572811647 /nfs/dbraw/zinc/81/16/47/572811647.db2.gz NYLDJAZKGDEEPA-LURJTMIESA-N 0 0 195.222 1.250 10 0 ADAERN C[C@H](O)COC(=O)CC1CCC1 307944405 572811678 /nfs/dbraw/zinc/81/16/78/572811678.db2.gz GXEZRCXZGLKHGR-ZETCQYMHSA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)c1c(C)c(C(C)=O)cn1C 75122233 572811700 /nfs/dbraw/zinc/81/17/00/572811700.db2.gz JWLZZCFEZZRFCE-UHFFFAOYSA-N 0 0 195.218 1.323 10 0 ADAERN CCC[C@@H](C)n1nncc1[C@H](C)O 308139353 572811726 /nfs/dbraw/zinc/81/17/26/572811726.db2.gz KELSIRYBGVEJQI-SFYZADRCSA-N 0 0 183.255 1.693 10 0 ADAERN c1ccn2nc([C@@H]3CCOC3)nc2c1 118148202 572811731 /nfs/dbraw/zinc/81/17/31/572811731.db2.gz NRMNSFZOLBUBBT-MRVPVSSYSA-N 0 0 189.218 1.233 10 0 ADAERN Cc1csc(CN(C)CCF)n1 308139517 572811735 /nfs/dbraw/zinc/81/17/35/572811735.db2.gz GIKPNOQTGSQDSY-UHFFFAOYSA-N 0 0 188.271 1.853 10 0 ADAERN CC(C)/C=C\C(=O)NC(C)(C)CO 308133745 572811737 /nfs/dbraw/zinc/81/17/37/572811737.db2.gz CWKQXULQMJBJQP-WAYWQWQTSA-N 0 0 185.267 1.086 10 0 ADAERN Cc1cc(C[C@H]2CCOCC2=O)no1 75122199 572811986 /nfs/dbraw/zinc/81/19/86/572811986.db2.gz VUQMCSLSXVYJOL-MRVPVSSYSA-N 0 0 195.218 1.131 10 0 ADAERN CCC[C@H](C)n1nncc1[C@@H](C)O 308139352 572811750 /nfs/dbraw/zinc/81/17/50/572811750.db2.gz KELSIRYBGVEJQI-JGVFFNPUSA-N 0 0 183.255 1.693 10 0 ADAERN CC(=O)OC/C=C\[C@@H](O)C(C)C 307943888 572811759 /nfs/dbraw/zinc/81/17/59/572811759.db2.gz UOHABHRNUKLNSU-XRVBUDJMSA-N 0 0 172.224 1.123 10 0 ADAERN C[C@H]1CC(C)(C)CO[C@@H]1O 196700234 572811761 /nfs/dbraw/zinc/81/17/61/572811761.db2.gz HSKDLLNDIKNNRE-BQBZGAKWSA-N 0 0 144.214 1.387 10 0 ADAERN CONCc1cn(C)c2cccnc12 75086653 572811776 /nfs/dbraw/zinc/81/17/76/572811776.db2.gz YQLNTUWPZRRMMR-UHFFFAOYSA-N 0 0 191.234 1.224 10 0 ADAERN C[C@H]1CO[C@H](O)C(C)(C)C1 196700288 572811805 /nfs/dbraw/zinc/81/18/05/572811805.db2.gz XUJNIXXXFHGACG-RQJHMYQMSA-N 0 0 144.214 1.387 10 0 ADAERN CC(C)NC(=O)CCC[C@H](C)O 307944146 572811814 /nfs/dbraw/zinc/81/18/14/572811814.db2.gz GMJOPKDQNPQJQX-QMMMGPOBSA-N 0 0 173.256 1.062 10 0 ADAERN Cc1cc(C[C@@H]2COCCC2=O)no1 75122191 572811815 /nfs/dbraw/zinc/81/18/15/572811815.db2.gz CEUDXHURNPYEIX-MRVPVSSYSA-N 0 0 195.218 1.131 10 0 ADAERN O=C(Cc1nccs1)[C@H](O)C1CC1 236525661 572811829 /nfs/dbraw/zinc/81/18/29/572811829.db2.gz LHPKWNOOGUGQQV-SECBINFHSA-N 0 0 197.259 1.026 10 0 ADAERN COC[C@@](O)(C1=COCC1)C(C)C 308133808 572811839 /nfs/dbraw/zinc/81/18/39/572811839.db2.gz MEVHJVXNAXUYBP-JTQLQIEISA-N 0 0 186.251 1.324 10 0 ADAERN CC[S@@](=O)CC(=O)C(C)(C)CC 308133334 572811864 /nfs/dbraw/zinc/81/18/64/572811864.db2.gz YVDMJGRCNHHPMY-GFCCVEGCSA-N 0 0 190.308 1.760 10 0 ADAERN COc1nc([C@]2(C)CCCN2)ns1 75087643 572811892 /nfs/dbraw/zinc/81/18/92/572811892.db2.gz WZBRGKFAOJWCOC-QMMMGPOBSA-N 0 0 199.279 1.145 10 0 ADAERN C/C=C/C(=O)OCc1ccno1 307943794 572811911 /nfs/dbraw/zinc/81/19/11/572811911.db2.gz GBSFQAKCPVSMED-NSCUHMNNSA-N 0 0 167.164 1.294 10 0 ADAERN CC[C@@H](C)[C@H](O)P(=O)(OC)OC 308133318 572811919 /nfs/dbraw/zinc/81/19/19/572811919.db2.gz YTYSKYFOARFBBD-RNFRBKRXSA-N 0 0 196.183 1.837 10 0 ADAERN CCCNC(=S)NO[C@@H](C)CC 307945311 572811946 /nfs/dbraw/zinc/81/19/46/572811946.db2.gz IHCPABZOTIAYEP-ZETCQYMHSA-N 0 0 190.312 1.591 10 0 ADAERN CCC[C@H](O)[C@H](C)[C@H]1CCCO1 308133592 572811957 /nfs/dbraw/zinc/81/19/57/572811957.db2.gz YXUSCORVMYWMAL-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](O)CN(CC)CC(F)F 307945109 572811959 /nfs/dbraw/zinc/81/19/59/572811959.db2.gz HYZDIHBBJVXDGN-ZETCQYMHSA-N 0 0 181.226 1.344 10 0 ADAERN CC(C)[C@H]1Nc2cc(N)oc2NC1=O 75122254 572812067 /nfs/dbraw/zinc/81/20/67/572812067.db2.gz MJWHNTVWMRABQJ-SSDOTTSWSA-N 0 0 195.222 1.250 10 0 ADAERN Cc1nc(C[C@H]2CCOCC2=O)co1 75122189 572811989 /nfs/dbraw/zinc/81/19/89/572811989.db2.gz OEZNMAAGOBADJM-MRVPVSSYSA-N 0 0 195.218 1.131 10 0 ADAERN CC[C@@H](O)[C@@H](O)CC1(C)CCC1 308133325 572812007 /nfs/dbraw/zinc/81/20/07/572812007.db2.gz YUWGIYOLAKSDBV-BDAKNGLRSA-N 0 0 172.268 1.699 10 0 ADAERN CC[C@H](O)C(=O)OCCCSC 307944373 572812008 /nfs/dbraw/zinc/81/20/08/572812008.db2.gz GVLIPXOXRAIEJV-ZETCQYMHSA-N 0 0 192.280 1.054 10 0 ADAERN O=C(Cc1ccsc1)[C@H](O)C1CC1 236525627 572812031 /nfs/dbraw/zinc/81/20/31/572812031.db2.gz ARDCOVQCRDQRGP-SNVBAGLBSA-N 0 0 196.271 1.631 10 0 ADAERN Cc1cc(C[C@@H]2CCOCC2=O)no1 75122194 572812036 /nfs/dbraw/zinc/81/20/36/572812036.db2.gz VUQMCSLSXVYJOL-QMMMGPOBSA-N 0 0 195.218 1.131 10 0 ADAERN CCOCCOC(=O)[C@@H](C)SC 308139570 572812059 /nfs/dbraw/zinc/81/20/59/572812059.db2.gz GMUREPBIZVKMMU-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CCCC(=O)N(C)C1=NCCS1 307944285 572812131 /nfs/dbraw/zinc/81/21/31/572812131.db2.gz GSBUQRYVGJMIIA-UHFFFAOYSA-N 0 0 186.280 1.348 10 0 ADAERN CC(C)OC(=O)/C=C1\CCO[C@H]1C 308139427 572812162 /nfs/dbraw/zinc/81/21/62/572812162.db2.gz HKRDPLAISWFHKZ-CYXIBPNKSA-N 0 0 184.235 1.673 10 0 ADAERN CC(C)[C@@H]1Nc2cc(N)oc2NC1=O 75122255 572812173 /nfs/dbraw/zinc/81/21/73/572812173.db2.gz MJWHNTVWMRABQJ-ZETCQYMHSA-N 0 0 195.222 1.250 10 0 ADAERN CONCc1cnc(C2CCC2)nc1 75086818 572812658 /nfs/dbraw/zinc/81/26/58/572812658.db2.gz LXIIWPVNNDIVLF-UHFFFAOYSA-N 0 0 193.250 1.395 10 0 ADAERN CCC[C@@H](C)n1nncc1[C@@H](C)O 308139351 572812194 /nfs/dbraw/zinc/81/21/94/572812194.db2.gz KELSIRYBGVEJQI-HTQZYQBOSA-N 0 0 183.255 1.693 10 0 ADAERN COC[C@](O)(C1=COCC1)C(C)C 308133810 572812209 /nfs/dbraw/zinc/81/22/09/572812209.db2.gz MEVHJVXNAXUYBP-SNVBAGLBSA-N 0 0 186.251 1.324 10 0 ADAERN COc1nc(C)c(OC)c(C(C)=O)n1 75087211 572812214 /nfs/dbraw/zinc/81/22/14/572812214.db2.gz UGVKOCQNGUTMAX-UHFFFAOYSA-N 0 0 196.206 1.005 10 0 ADAERN CC[C@@H](C)CC(=O)[C@@H]1CN(C)CCO1 85792588 572812218 /nfs/dbraw/zinc/81/22/18/572812218.db2.gz NRXFKRDGYJOGFG-KOLCDFICSA-N 0 0 199.294 1.322 10 0 ADAERN Cc1cc(C[C@H]2COCCC2=O)no1 75122193 572812220 /nfs/dbraw/zinc/81/22/20/572812220.db2.gz CEUDXHURNPYEIX-QMMMGPOBSA-N 0 0 195.218 1.131 10 0 ADAERN CC[S@](=O)CC(=O)C(C)(C)CC 308133343 572812267 /nfs/dbraw/zinc/81/22/67/572812267.db2.gz YVDMJGRCNHHPMY-LBPRGKRZSA-N 0 0 190.308 1.760 10 0 ADAERN CC1(C(=O)OCCO)CCCC1 307944180 572812279 /nfs/dbraw/zinc/81/22/79/572812279.db2.gz GOTSCUBVNKJRLL-UHFFFAOYSA-N 0 0 172.224 1.102 10 0 ADAERN O=C(Cc1cncs1)[C@H](O)C1CC1 236525648 572812295 /nfs/dbraw/zinc/81/22/95/572812295.db2.gz NRFAFPDUXSUXIB-SECBINFHSA-N 0 0 197.259 1.026 10 0 ADAERN C[C@@H]1Cc2cc(CO)cnc2C[C@H]1C 49806750 572812307 /nfs/dbraw/zinc/81/23/07/572812307.db2.gz NUWFQUJSXDEPOX-RKDXNWHRSA-N 0 0 191.274 1.945 10 0 ADAERN Cc1cccc(OC(=O)[C@H](C)N)c1C 49807145 572812337 /nfs/dbraw/zinc/81/23/37/572812337.db2.gz MJKMZUMWCAMZSZ-VIFPVBQESA-N 0 0 193.246 1.556 10 0 ADAERN C[C@H](N)C(=O)Oc1cccc(Cl)c1 49812073 572812351 /nfs/dbraw/zinc/81/23/51/572812351.db2.gz FGIQCSZMASEWSS-LURJTMIESA-N 0 0 199.637 1.593 10 0 ADAERN COc1ncc2[nH]cc(C(C)=O)c2n1 75086651 572812356 /nfs/dbraw/zinc/81/23/56/572812356.db2.gz SJPTUTGEJWGKAD-UHFFFAOYSA-N 0 0 191.190 1.169 10 0 ADAERN Cc1nc(C[C@H]2COCCC2=O)co1 75122179 572812375 /nfs/dbraw/zinc/81/23/75/572812375.db2.gz OBVIUHUJKBJNIM-QMMMGPOBSA-N 0 0 195.218 1.131 10 0 ADAERN CCC[C@H]1C[C@@H]1C(=O)N(C)CC 307943984 572812386 /nfs/dbraw/zinc/81/23/86/572812386.db2.gz GHRBVMYBHRPUMT-IUCAKERBSA-N 0 0 169.268 1.901 10 0 ADAERN CC(C)C1(C(=O)NCC2CC2)CC1 308139087 572812387 /nfs/dbraw/zinc/81/23/87/572812387.db2.gz HFUZRFZGDMJQHD-UHFFFAOYSA-N 0 0 181.279 1.949 10 0 ADAERN COc1nc(C)c(C(C)=O)c(OC)n1 75087213 572812389 /nfs/dbraw/zinc/81/23/89/572812389.db2.gz ODFOPBMXLLMABH-UHFFFAOYSA-N 0 0 196.206 1.005 10 0 ADAERN CN1C[C@@H](CO)O[C@@H]1c1cccs1 49811994 572812399 /nfs/dbraw/zinc/81/23/99/572812399.db2.gz KIUTYTXLYGOSSJ-IONNQARKSA-N 0 0 199.275 1.070 10 0 ADAERN CCN(Cc1nccs1)C(C)=O 307945125 572812417 /nfs/dbraw/zinc/81/24/17/572812417.db2.gz HZUUEGYERFRZHU-UHFFFAOYSA-N 0 0 184.264 1.512 10 0 ADAERN CC(C)NC(=O)C(=O)c1cccs1 49811771 572812433 /nfs/dbraw/zinc/81/24/33/572812433.db2.gz GGMZJHSGGKVRNR-UHFFFAOYSA-N 0 0 197.259 1.455 10 0 ADAERN c1ccn2nc([C@H]3CCOC3)nc2c1 118148200 572812438 /nfs/dbraw/zinc/81/24/38/572812438.db2.gz NRMNSFZOLBUBBT-QMMMGPOBSA-N 0 0 189.218 1.233 10 0 ADAERN Cc1nc(C[C@@H]2COCCC2=O)co1 75122170 572812472 /nfs/dbraw/zinc/81/24/72/572812472.db2.gz OBVIUHUJKBJNIM-MRVPVSSYSA-N 0 0 195.218 1.131 10 0 ADAERN Nc1cccc(C(=O)OCCF)c1 85789368 572812485 /nfs/dbraw/zinc/81/24/85/572812485.db2.gz KDIMVAYTXKGILC-UHFFFAOYSA-N 0 0 183.182 1.395 10 0 ADAERN Cc1ccc(OC(=O)[C@@H](C)N)c(C)c1 49807141 572812500 /nfs/dbraw/zinc/81/25/00/572812500.db2.gz ABHKPNNRDODBLN-SECBINFHSA-N 0 0 193.246 1.556 10 0 ADAERN C/C=C(\CC)C[C@H](O)C(=O)OC 307945164 572812517 /nfs/dbraw/zinc/81/25/17/572812517.db2.gz YANFYOIAXUPIQN-IPWDFOCMSA-N 0 0 172.224 1.267 10 0 ADAERN Cc1ccc(OC(=O)[C@H](C)N)cc1C 49807151 572812544 /nfs/dbraw/zinc/81/25/44/572812544.db2.gz GDOIPGOCFSMTMA-VIFPVBQESA-N 0 0 193.246 1.556 10 0 ADAERN Cc1cccc([C@H]2OC[C@@H](CO)O2)c1 49807341 572812551 /nfs/dbraw/zinc/81/25/51/572812551.db2.gz XLVLEVXYDLRZDW-MNOVXSKESA-N 0 0 194.230 1.401 10 0 in-man ADAERN CC(C)NC(=O)[C@H](CO)C(C)(C)C 308134862 572814386 /nfs/dbraw/zinc/81/43/86/572814386.db2.gz DPPICPNRGBBEIN-QMMMGPOBSA-N 0 0 187.283 1.166 10 0 ADAERN CC[C@@]1(CO)CCC[N@@H+]1CCF 307943970 572812570 /nfs/dbraw/zinc/81/25/70/572812570.db2.gz GGNOEEKACKTMEC-VIFPVBQESA-N 0 0 175.247 1.193 10 0 ADAERN CNC(=O)C(=O)c1ccc(F)c(C)c1 49811419 572812581 /nfs/dbraw/zinc/81/25/81/572812581.db2.gz JHWOVLUUIILCCC-UHFFFAOYSA-N 0 0 195.193 1.063 10 0 ADAERN C[C@@H](O)COC(=O)CC1CCC1 307944404 572812582 /nfs/dbraw/zinc/81/25/82/572812582.db2.gz GXEZRCXZGLKHGR-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN Cc1ccc(NC(=O)CCO)c(C)c1 49807072 572812587 /nfs/dbraw/zinc/81/25/87/572812587.db2.gz IEPDDZYAFNDQQC-UHFFFAOYSA-N 0 0 193.246 1.624 10 0 ADAERN CC(C)[C@H](O)[C@@H](C)[C@H](O)C(C)C 307943892 572812588 /nfs/dbraw/zinc/81/25/88/572812588.db2.gz UPIITWBUFQQTNX-ILWJIGKKSA-N 0 0 174.284 1.656 10 0 ADAERN O=C(Cc1ccoc1)[C@H](O)C1CC1 236525619 572812596 /nfs/dbraw/zinc/81/25/96/572812596.db2.gz ADQFPFREXSKSTQ-SNVBAGLBSA-N 0 0 180.203 1.162 10 0 ADAERN CC(=O)CN(C)C(=O)[C@@H](C)C1CC1 308139152 572812600 /nfs/dbraw/zinc/81/26/00/572812600.db2.gz HIXLLYUMSOZYTK-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1cccc(C)c1OC(=O)[C@@H](C)N 49807135 572812614 /nfs/dbraw/zinc/81/26/14/572812614.db2.gz OJLZWFVZMJGOGT-SECBINFHSA-N 0 0 193.246 1.556 10 0 ADAERN C[C@@H]1CCCc2cc(CO)c(=O)[nH]c21 49807160 572812623 /nfs/dbraw/zinc/81/26/23/572812623.db2.gz ZCBRDQXYFCTPLO-SSDOTTSWSA-N 0 0 193.246 1.307 10 0 ADAERN Cc1cc(C)c([C@@H](O)CNO)c(C)c1 49811517 572812630 /nfs/dbraw/zinc/81/26/30/572812630.db2.gz AWLJGATWYJCNML-JTQLQIEISA-N 0 0 195.262 1.624 10 0 ADAERN CC[C@@H](C)OC(=O)CCCOC 307944417 572812643 /nfs/dbraw/zinc/81/26/43/572812643.db2.gz GYMVOUZFQUFJGO-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN CC/C=C\c1nc(N(C)C)no1 307944451 572812675 /nfs/dbraw/zinc/81/26/75/572812675.db2.gz HAWRMOZGBJNHAA-WAYWQWQTSA-N 0 0 167.212 1.559 10 0 ADAERN CC(C)c1cc(C(N)=O)ccc1O 71455746 572812677 /nfs/dbraw/zinc/81/26/77/572812677.db2.gz XPGPLUGZLLYMMD-UHFFFAOYSA-N 0 0 179.219 1.615 10 0 ADAERN CC[C@@H](C)[C@@H](O)P(=O)(OC)OC 308133319 572812746 /nfs/dbraw/zinc/81/27/46/572812746.db2.gz YTYSKYFOARFBBD-RQJHMYQMSA-N 0 0 196.183 1.837 10 0 ADAERN Cc1noc(C)c1C[C@H]1COCC1=O 75122203 572812773 /nfs/dbraw/zinc/81/27/73/572812773.db2.gz FYBJSTDNIPMQGB-QMMMGPOBSA-N 0 0 195.218 1.049 10 0 ADAERN CCC[C@H]1C[C@H]1C(=O)N(C)CC 307943983 572812782 /nfs/dbraw/zinc/81/27/82/572812782.db2.gz GHRBVMYBHRPUMT-DTWKUNHWSA-N 0 0 169.268 1.901 10 0 ADAERN CONCc1cc2n(c1)CCCS2 75087522 572812794 /nfs/dbraw/zinc/81/27/94/572812794.db2.gz FYFBLTVQISMYFI-UHFFFAOYSA-N 0 0 198.291 1.635 10 0 ADAERN CCc1ccc(C2OCCO2)cc1N 49807156 572812801 /nfs/dbraw/zinc/81/28/01/572812801.db2.gz HKGBYDJFAWPKGD-UHFFFAOYSA-N 0 0 193.246 1.877 10 0 ADAERN Cc1ccc(C)c(OC(=O)[C@@H](C)N)c1 49807138 572812824 /nfs/dbraw/zinc/81/28/24/572812824.db2.gz NBJZOWKEJBVFOU-SECBINFHSA-N 0 0 193.246 1.556 10 0 ADAERN CN(C)CC(=O)Cc1cccc(F)c1 85793037 572812842 /nfs/dbraw/zinc/81/28/42/572812842.db2.gz OYERDZAOHWBMER-UHFFFAOYSA-N 0 0 195.237 1.499 10 0 ADAERN CN(CCF)Cc1cccn1C 308139010 572812847 /nfs/dbraw/zinc/81/28/47/572812847.db2.gz FXYFLCAMKWKYKA-UHFFFAOYSA-N 0 0 170.231 1.426 10 0 ADAERN CNC(=O)/C=C\c1sccc1C 214206450 572812848 /nfs/dbraw/zinc/81/28/48/572812848.db2.gz GINQKJWKXDRFBR-ARJAWSKDSA-N 0 0 181.260 1.816 10 0 ADAERN Cc1ccc(OC(=O)[C@@H](C)N)cc1C 49807150 572812940 /nfs/dbraw/zinc/81/29/40/572812940.db2.gz GDOIPGOCFSMTMA-SECBINFHSA-N 0 0 193.246 1.556 10 0 ADAERN CCC(C)(CC)NC(=O)NOC 307944780 572812942 /nfs/dbraw/zinc/81/29/42/572812942.db2.gz HKLGNMHEZABNMW-UHFFFAOYSA-N 0 0 174.244 1.426 10 0 ADAERN CCOc1ccccc1[C@@H]1NCCO1 49807057 572812950 /nfs/dbraw/zinc/81/29/50/572812950.db2.gz ZXABRKGRNSRTHZ-LLVKDONJSA-N 0 0 193.246 1.704 10 0 ADAERN Cn1ccnc1-c1ccnc(Cl)n1 85789229 572812984 /nfs/dbraw/zinc/81/29/84/572812984.db2.gz UAKLOCJVAQELSR-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CC[C@@H](C)CS[C@H](C)C(=O)NC 307944472 572812965 /nfs/dbraw/zinc/81/29/65/572812965.db2.gz HCIWHVAHOALEDB-HTQZYQBOSA-N 0 0 189.324 1.900 10 0 ADAERN CN(C)CC(=O)Cc1ccsc1 85793001 572813006 /nfs/dbraw/zinc/81/30/06/572813006.db2.gz OIWNDOVPVKDWIW-UHFFFAOYSA-N 0 0 183.276 1.421 10 0 ADAERN CC[C@H](C)[C@@H](O)P(=O)(OC)OC 308133317 572813016 /nfs/dbraw/zinc/81/30/16/572813016.db2.gz YTYSKYFOARFBBD-BQBZGAKWSA-N 0 0 196.183 1.837 10 0 ADAERN CN1CCC(=O)[C@H](CC(F)(F)F)C1 75122151 572813023 /nfs/dbraw/zinc/81/30/23/572813023.db2.gz QXSSFGHIIXPMMX-ZCFIWIBFSA-N 0 0 195.184 1.460 10 0 ADAERN Cc1cc(C)c(OC(=O)CN)cc1C 49807154 572813029 /nfs/dbraw/zinc/81/30/29/572813029.db2.gz PRHLJCGDSGWZFG-UHFFFAOYSA-N 0 0 193.246 1.476 10 0 ADAERN CC(C)[C@@H](C)N(C)C(=O)[C@@H]1CCO1 308133709 572813032 /nfs/dbraw/zinc/81/30/32/572813032.db2.gz CTMXYLOWNHUDKH-BDAKNGLRSA-N 0 0 185.267 1.278 10 0 ADAERN CC[C@H](OC)C(=O)OCC(F)F 307944760 572813034 /nfs/dbraw/zinc/81/30/34/572813034.db2.gz HIQKTRIUJHJALQ-YFKPBYRVSA-N 0 0 182.166 1.220 10 0 ADAERN CCc1noc(Cl)c1CNOC 75086619 572813048 /nfs/dbraw/zinc/81/30/48/572813048.db2.gz VKRBBYREVJNPLJ-UHFFFAOYSA-N 0 0 190.630 1.541 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)OCCCCF 307945042 572813067 /nfs/dbraw/zinc/81/30/67/572813067.db2.gz HWHKHCXYOKQTDQ-SFYZADRCSA-N 0 0 174.215 1.935 10 0 ADAERN CC(C)[C@H](C)N(C)C(=O)[C@@H]1CCO1 308133711 572813080 /nfs/dbraw/zinc/81/30/80/572813080.db2.gz CTMXYLOWNHUDKH-IUCAKERBSA-N 0 0 185.267 1.278 10 0 ADAERN Cc1cccc(CC(=O)CN(C)C)c1 85793136 572813094 /nfs/dbraw/zinc/81/30/94/572813094.db2.gz GEBIHHRZJASXQF-UHFFFAOYSA-N 0 0 191.274 1.668 10 0 ADAERN C/C=C\c1nnc(C2(N)CC2)o1 307944070 572813096 /nfs/dbraw/zinc/81/30/96/572813096.db2.gz VDSIZOZGPPYNQJ-IHWYPQMZSA-N 0 0 165.196 1.051 10 0 ADAERN Cc1ccc(CC(=O)CN(C)C)cc1 85793078 572813377 /nfs/dbraw/zinc/81/33/77/572813377.db2.gz NFEMPGHRZAIHFE-UHFFFAOYSA-N 0 0 191.274 1.668 10 0 ADAERN CC(C)NC(=O)[C@@H]1CCCC[C@@H]1CO 49812026 572813128 /nfs/dbraw/zinc/81/31/28/572813128.db2.gz UQLWECTWJUAZPF-NXEZZACHSA-N 0 0 199.294 1.310 10 0 ADAERN CCc1ccccc1NC(=O)CCO 49807077 572813539 /nfs/dbraw/zinc/81/35/39/572813539.db2.gz ZURAIIUKSOSJQE-UHFFFAOYSA-N 0 0 193.246 1.570 10 0 ADAERN CONCc1conc1C1CCCC1 75087234 572813206 /nfs/dbraw/zinc/81/32/06/572813206.db2.gz PRRISQKBSHCKMO-UHFFFAOYSA-N 0 0 196.250 1.983 10 0 ADAERN COc1nc([C@@]2(C)CCCN2)ns1 75087642 572813211 /nfs/dbraw/zinc/81/32/11/572813211.db2.gz WZBRGKFAOJWCOC-MRVPVSSYSA-N 0 0 199.279 1.145 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)OCCCCF 307945040 572813224 /nfs/dbraw/zinc/81/32/24/572813224.db2.gz HWHKHCXYOKQTDQ-HTQZYQBOSA-N 0 0 174.215 1.935 10 0 ADAERN CN1C[C@H](CO)O[C@@H]1c1cccs1 49811993 572813240 /nfs/dbraw/zinc/81/32/40/572813240.db2.gz KIUTYTXLYGOSSJ-VXNVDRBHSA-N 0 0 199.275 1.070 10 0 ADAERN CN1CCO[C@@H](C(=O)CCC2CC2)C1 85792830 572813245 /nfs/dbraw/zinc/81/32/45/572813245.db2.gz QBGZYEJNZJOTHA-LLVKDONJSA-N 0 0 197.278 1.076 10 0 ADAERN CC[C@@H](C)S(=O)(=O)NC(C)(C)C 307944128 572813275 /nfs/dbraw/zinc/81/32/75/572813275.db2.gz GLCHEUKMFCISPY-SSDOTTSWSA-N 0 0 193.312 1.503 10 0 ADAERN CC[C@H](C)CC(=O)[C@H]1CN(C)CCO1 85792594 572813278 /nfs/dbraw/zinc/81/32/78/572813278.db2.gz NRXFKRDGYJOGFG-GXSJLCMTSA-N 0 0 199.294 1.322 10 0 ADAERN [NH3+]C[C@H](C(=O)[O-])c1ccc(Cl)o1 75086549 572813283 /nfs/dbraw/zinc/81/32/83/572813283.db2.gz HEXLJVHKEJNPBB-BYPYZUCNSA-N 0 0 189.598 1.060 10 0 ADAERN Cc1cc(OC(=O)CN)ccc1Cl 49812080 572813290 /nfs/dbraw/zinc/81/32/90/572813290.db2.gz LQDPHDIBIKBTGQ-UHFFFAOYSA-N 0 0 199.637 1.513 10 0 ADAERN C/C=C(/CC)C(=O)OCCCO 307944361 572813295 /nfs/dbraw/zinc/81/32/95/572813295.db2.gz GUNCHEOXBVMZMJ-BAQGIRSFSA-N 0 0 172.224 1.268 10 0 ADAERN CCCOC(=O)C1=CCCCO1 307945502 572815518 /nfs/dbraw/zinc/81/55/18/572815518.db2.gz IPXKRSDQAHIFBN-UHFFFAOYSA-N 0 0 170.208 1.634 10 0 ADAERN C[C@H]1Cc2cc(CO)cnc2C[C@@H]1C 49806749 572813354 /nfs/dbraw/zinc/81/33/54/572813354.db2.gz NUWFQUJSXDEPOX-IUCAKERBSA-N 0 0 191.274 1.945 10 0 ADAERN CC[C@H](C)N(C)S(=O)(=O)CCF 307945236 572813368 /nfs/dbraw/zinc/81/33/68/572813368.db2.gz ICFLHFVVZZRCRX-ZETCQYMHSA-N 0 0 197.275 1.016 10 0 ADAERN Cc1ccc(Cl)c(OC(=O)CN)c1 49812081 572813369 /nfs/dbraw/zinc/81/33/69/572813369.db2.gz XFAPTWQIJOPDKC-UHFFFAOYSA-N 0 0 199.637 1.513 10 0 ADAERN CC(C)CCC(=O)[C@H]1CN(C)CCO1 85792579 572813389 /nfs/dbraw/zinc/81/33/89/572813389.db2.gz DOBCVYBASBYABV-LLVKDONJSA-N 0 0 199.294 1.322 10 0 ADAERN C/C=C\c1nc(C(=O)OC)co1 307944299 572813408 /nfs/dbraw/zinc/81/34/08/572813408.db2.gz WBHXKTJNGSCENF-ARJAWSKDSA-N 0 0 167.164 1.494 10 0 ADAERN Cc1sccc1/C=C(\[NH3+])C(=O)[O-] 307944467 572813439 /nfs/dbraw/zinc/81/34/39/572813439.db2.gz HCEIRGLEMQVJBZ-DAXSKMNVSA-N 0 0 183.232 1.441 10 0 ADAERN CC(C)[C@@H](C)N(C)C(=O)[C@H]1CCO1 308133712 572813443 /nfs/dbraw/zinc/81/34/43/572813443.db2.gz CTMXYLOWNHUDKH-RKDXNWHRSA-N 0 0 185.267 1.278 10 0 ADAERN Cc1ccc(OC(=O)[C@H](C)N)c(C)c1 49807142 572813453 /nfs/dbraw/zinc/81/34/53/572813453.db2.gz ABHKPNNRDODBLN-VIFPVBQESA-N 0 0 193.246 1.556 10 0 ADAERN CCCCC(=O)[C@@H]1CN(C)CCO1 85792571 572814402 /nfs/dbraw/zinc/81/44/02/572814402.db2.gz DABXUYGOUJXVPI-JTQLQIEISA-N 0 0 185.267 1.076 10 0 ADAERN CC[C@@H](O)CN(CC)CC(F)F 307945107 572813476 /nfs/dbraw/zinc/81/34/76/572813476.db2.gz 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194.230 1.401 10 0 in-man ADAERN CC[C@H](C)OC(=O)CCCOC 307944418 572814247 /nfs/dbraw/zinc/81/42/47/572814247.db2.gz GYMVOUZFQUFJGO-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN Cc1cc(C)cc(NC(=O)CCO)c1 49807074 572814304 /nfs/dbraw/zinc/81/43/04/572814304.db2.gz OCIUFJDOIARTLP-UHFFFAOYSA-N 0 0 193.246 1.624 10 0 ADAERN Cc1cc(C[C@@H]2CSCC2=O)no1 75123834 572814329 /nfs/dbraw/zinc/81/43/29/572814329.db2.gz ZCVDNTMFUIQDGE-SSDOTTSWSA-N 0 0 197.259 1.458 10 0 ADAERN CCc1conc1C=O 198849569 572814348 /nfs/dbraw/zinc/81/43/48/572814348.db2.gz VRHNNTPNYAQRGR-UHFFFAOYSA-N 0 0 125.127 1.050 10 0 ADAERN O[C@@H](CCCCF)c1cnsn1 308134019 572814371 /nfs/dbraw/zinc/81/43/71/572814371.db2.gz ZATSCFHQNKXFSZ-ZETCQYMHSA-N 0 0 190.243 1.711 10 0 ADAERN Cc1cc(C)c(C(CO)CO)c(C)c1 49811364 572814373 /nfs/dbraw/zinc/81/43/73/572814373.db2.gz OVUHBPIRXMEMPW-UHFFFAOYSA-N 0 0 194.274 1.680 10 0 ADAERN O=C1CSCC[C@@H]1Cc1cn[nH]c1 75123154 572814384 /nfs/dbraw/zinc/81/43/84/572814384.db2.gz QQEGJIHAOUVYBW-MRVPVSSYSA-N 0 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572817182 /nfs/dbraw/zinc/81/71/82/572817182.db2.gz HJVOKXOOYXWTNM-SSDOTTSWSA-N 0 0 196.275 1.202 10 0 ADAERN Cc1nc(N[C@@H]2CCCOC2)oc1C 75122961 572814845 /nfs/dbraw/zinc/81/48/45/572814845.db2.gz XYEFPZUQDCXBGB-SECBINFHSA-N 0 0 196.250 1.882 10 0 ADAERN Cc1cccc(C)c1NC(=O)CCO 49807075 572814862 /nfs/dbraw/zinc/81/48/62/572814862.db2.gz KTFDFQUFPAMBEX-UHFFFAOYSA-N 0 0 193.246 1.624 10 0 ADAERN CCC(CC)N(C)C(=O)CSC 307945441 572814863 /nfs/dbraw/zinc/81/48/63/572814863.db2.gz IITQIPQERNXVCX-UHFFFAOYSA-N 0 0 189.324 1.996 10 0 ADAERN CCCn1ccnc1C(=O)CN(C)C 85793005 572814911 /nfs/dbraw/zinc/81/49/11/572814911.db2.gz INBVUKBSBQEIDI-UHFFFAOYSA-N 0 0 195.266 1.037 10 0 ADAERN O=C1CCCCC[C@@]12CCCNC2=O 75122399 572814917 /nfs/dbraw/zinc/81/49/17/572814917.db2.gz AIWKLJRULZYUJZ-LLVKDONJSA-N 0 0 195.262 1.416 10 0 ADAERN CCCn1cc(C(=O)CN(C)C)cn1 85793101 572814927 /nfs/dbraw/zinc/81/49/27/572814927.db2.gz OYYDBIBEQICFNP-UHFFFAOYSA-N 0 0 195.266 1.037 10 0 ADAERN Cc1cccc(C)c1OC(=O)[C@H](C)N 49807136 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CC1(C)Nc2c(csc2N)NC1=O 75124011 572819996 /nfs/dbraw/zinc/81/99/96/572819996.db2.gz OFUYNAWPHKGZPR-UHFFFAOYSA-N 0 0 197.263 1.473 10 0 ADAERN Cc1c(N)sc2c1NC(=O)[C@@H](C)N2 75124012 572820006 /nfs/dbraw/zinc/82/00/06/572820006.db2.gz XBZDLKYUPLATBP-SCSAIBSYSA-N 0 0 197.263 1.391 10 0 ADAERN CC/C=C\C(=O)N[C@@H]1CCSC1 307948712 572822404 /nfs/dbraw/zinc/82/24/04/572822404.db2.gz MBRIMMYTVCZMST-TUUFMJSCSA-N 0 0 185.292 1.574 10 0 ADAERN CC(C)Nc1cccc2[nH]c(=O)oc12 75120208 572820014 /nfs/dbraw/zinc/82/00/14/572820014.db2.gz LMAMITPBSUXGTH-UHFFFAOYSA-N 0 0 192.218 1.941 10 0 ADAERN COCCCn1ccc(C(C)=O)c1 85832911 572820044 /nfs/dbraw/zinc/82/00/44/572820044.db2.gz BPDYJLRERZIOHI-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN COCCCn1cccc1[C@@H](C)O 85833257 572820057 /nfs/dbraw/zinc/82/00/57/572820057.db2.gz UVDSVLBSQRGQQY-SECBINFHSA-N 0 0 183.251 1.578 10 0 ADAERN CC[C@@H]1CCCC=C1C(=O)NC 196947434 572820071 /nfs/dbraw/zinc/82/00/71/572820071.db2.gz FJWYHCUEOUHRIG-MRVPVSSYSA-N 0 0 167.252 1.869 10 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COCCCn1cccc1[C@H](C)O 85833255 572820193 /nfs/dbraw/zinc/82/01/93/572820193.db2.gz UVDSVLBSQRGQQY-VIFPVBQESA-N 0 0 183.251 1.578 10 0 ADAERN C=C/C=C\CC[NH2+]CCCCC(=O)[O-] 713760539 572820220 /nfs/dbraw/zinc/82/02/20/572820220.db2.gz VXIZXMHEQCDAQN-ARJAWSKDSA-N 0 0 197.278 1.963 10 0 ADAERN C/C=C\COC(=O)c1cn[nH]c1 307947086 572820224 /nfs/dbraw/zinc/82/02/24/572820224.db2.gz KRUYEVVXLZJNNR-IHWYPQMZSA-N 0 0 166.180 1.143 10 0 ADAERN COCCn1ccc(C(C)=O)c1 85832831 572820229 /nfs/dbraw/zinc/82/02/29/572820229.db2.gz YWGKSEPZEZBHSW-UHFFFAOYSA-N 0 0 167.208 1.337 10 0 ADAERN Cc1n[nH]c(C)c1C[C@H]1CCCC1=O 75120396 572820261 /nfs/dbraw/zinc/82/02/61/572820261.db2.gz IVTHZZYMAMRBGO-SECBINFHSA-N 0 0 192.262 1.938 10 0 ADAERN CCn1cc(CNn2cccc2)cn1 85830669 572820274 /nfs/dbraw/zinc/82/02/74/572820274.db2.gz MQFIFECWSBLYQB-UHFFFAOYSA-N 0 0 190.250 1.448 10 0 ADAERN CCCCCC1=N[C@@H](C)C(=O)O1 307947719 572820284 /nfs/dbraw/zinc/82/02/84/572820284.db2.gz NYYVAAAGIJINHA-ZETCQYMHSA-N 0 0 169.224 1.911 10 0 ADAERN CCOCn1cccc1[C@@H](C)O 85833639 572820307 /nfs/dbraw/zinc/82/03/07/572820307.db2.gz PQBOPZCHIZYRFJ-MRVPVSSYSA-N 0 0 169.224 1.535 10 0 ADAERN CC[C@@H](O)CNn1c(C)ccc1C 85831100 572820311 /nfs/dbraw/zinc/82/03/11/572820311.db2.gz NGCSCUKZDWCNAP-SNVBAGLBSA-N 0 0 182.267 1.419 10 0 ADAERN Cn1c(C=O)ccc1-c1cscn1 75120330 572820408 /nfs/dbraw/zinc/82/04/08/572820408.db2.gz FCJGOKKYRFWAGT-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN CCOC(=O)[C@H](CC)Nn1cccc1 85830876 572820382 /nfs/dbraw/zinc/82/03/82/572820382.db2.gz DOALYHJPTZXKPA-VIFPVBQESA-N 0 0 196.250 1.373 10 0 ADAERN CC1(C)Nc2scc(N)c2NC1=O 75124025 572820383 /nfs/dbraw/zinc/82/03/83/572820383.db2.gz KFFAWKUGFRPZMH-UHFFFAOYSA-N 0 0 197.263 1.473 10 0 ADAERN Cc1c(N)sc2c1N[C@H](C)C(=O)N2 75124006 572820386 /nfs/dbraw/zinc/82/03/86/572820386.db2.gz GQHGOZMWKFLWIA-SCSAIBSYSA-N 0 0 197.263 1.391 10 0 ADAERN CCON(C)C(=O)c1ccsc1 308140608 572822484 /nfs/dbraw/zinc/82/24/84/572822484.db2.gz HACZWNPLWIIKAK-UHFFFAOYSA-N 0 0 185.248 1.772 10 0 ADAERN [NH3+]C[C@@](CC(F)F)(C(=O)[O-])C1CC1 236237838 572820543 /nfs/dbraw/zinc/82/05/43/572820543.db2.gz OOYDDXNVJZHFGE-MRVPVSSYSA-N 0 0 193.193 1.081 10 0 ADAERN COC(=O)[C@H]1CCN=C(SC)C1 118174156 572820489 /nfs/dbraw/zinc/82/04/89/572820489.db2.gz DPPPMJHDBQLBTK-LURJTMIESA-N 0 0 187.264 1.331 10 0 ADAERN CCOCCn1cccc1C(C)=O 85832518 572820504 /nfs/dbraw/zinc/82/05/04/572820504.db2.gz AUIAHBCNFIXMOA-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN CON(C)C(=O)[C@H](C)SC(C)C 307947819 572820511 /nfs/dbraw/zinc/82/05/11/572820511.db2.gz ABHWLGWCGMIKQS-ZETCQYMHSA-N 0 0 191.296 1.536 10 0 ADAERN CC(=O)c1cccn1CCCCCO 85832538 572820520 /nfs/dbraw/zinc/82/05/20/572820520.db2.gz KKRFLADHAPVVTN-UHFFFAOYSA-N 0 0 195.262 1.853 10 0 ADAERN CSC(=CCO)SC 196952841 572820521 /nfs/dbraw/zinc/82/05/21/572820521.db2.gz ZMTPBTHDMRFEKP-UHFFFAOYSA-N 0 0 150.268 1.546 10 0 ADAERN COC(=O)[C@H](C)Nn1c(C)ccc1C 85829976 572820524 /nfs/dbraw/zinc/82/05/24/572820524.db2.gz MJOVAUBQTSYNQO-VIFPVBQESA-N 0 0 196.250 1.210 10 0 ADAERN CCC[C@@H](O)P(C)(C)=O 196953283 572820532 /nfs/dbraw/zinc/82/05/32/572820532.db2.gz LKWORDGEQXJLEO-LURJTMIESA-N 0 0 150.158 1.728 10 0 ADAERN CCC[C@H](O)P(C)(C)=O 196953295 572820568 /nfs/dbraw/zinc/82/05/68/572820568.db2.gz LKWORDGEQXJLEO-ZCFIWIBFSA-N 0 0 150.158 1.728 10 0 ADAERN CCc1ccccc1N1CC[C@H](O)C1 75119839 572820589 /nfs/dbraw/zinc/82/05/89/572820589.db2.gz WGXHGQSTBKXGSG-NSHDSACASA-N 0 0 191.274 1.820 10 0 ADAERN COC(CNn1c(C)ccc1C)OC 85829633 572820590 /nfs/dbraw/zinc/82/05/90/572820590.db2.gz HCWMTYWXSYCDQR-UHFFFAOYSA-N 0 0 198.266 1.267 10 0 ADAERN C[Si](C)(C)c1occc1CO 196952295 572820603 /nfs/dbraw/zinc/82/06/03/572820603.db2.gz HJSQDOWWTFLSNK-UHFFFAOYSA-N 0 0 170.284 1.317 10 0 ADAERN CC(=O)c1c[nH]c2c1C[S@](=O)CC2 75123873 572820609 /nfs/dbraw/zinc/82/06/09/572820609.db2.gz DJYGBVAIWUJLTK-ZDUSSCGKSA-N 0 0 197.259 1.022 10 0 ADAERN NC(=O)Cc1cccc(OC2CC2)c1 238560247 572820653 /nfs/dbraw/zinc/82/06/53/572820653.db2.gz ZDFDQYFONSCZAO-UHFFFAOYSA-N 0 0 191.230 1.256 10 0 ADAERN COC(=O)[C@]1(O)CC(C)(C)C[C@@H]1C 234607861 572820688 /nfs/dbraw/zinc/82/06/88/572820688.db2.gz YWXHCAPXJQEULN-XVKPBYJWSA-N 0 0 186.251 1.347 10 0 ADAERN CCOC(=O)[C@@H](CC)Nn1cccc1 85830878 572820729 /nfs/dbraw/zinc/82/07/29/572820729.db2.gz DOALYHJPTZXKPA-SECBINFHSA-N 0 0 196.250 1.373 10 0 ADAERN Cn1nc(Cl)c(C=O)c1C1CC1 75119327 572820744 /nfs/dbraw/zinc/82/07/44/572820744.db2.gz ZIFAXBRFMPMJCK-UHFFFAOYSA-N 0 0 184.626 1.763 10 0 ADAERN CCOCn1ccc(C(C)=O)c1 85832889 572820755 /nfs/dbraw/zinc/82/07/55/572820755.db2.gz HDZGBMVENYCKEE-UHFFFAOYSA-N 0 0 167.208 1.685 10 0 ADAERN CCc1ccc(OC)c(CON)c1 75119285 572820783 /nfs/dbraw/zinc/82/07/83/572820783.db2.gz GDZSZMNAGGHQQC-UHFFFAOYSA-N 0 0 181.235 1.648 10 0 ADAERN CC(=O)c1c[nH]c2c1C[S@@](=O)CC2 75123869 572820786 /nfs/dbraw/zinc/82/07/86/572820786.db2.gz DJYGBVAIWUJLTK-CYBMUJFWSA-N 0 0 197.259 1.022 10 0 ADAERN COc1ccc2[nH]c(CON)cc2c1 75120183 572820790 /nfs/dbraw/zinc/82/07/90/572820790.db2.gz BGUSEVLUQVUFQJ-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN CC(C)Nc1ccc2[nH]c(=O)oc2c1 75120207 572820809 /nfs/dbraw/zinc/82/08/09/572820809.db2.gz IXAICTFLQZPEJZ-UHFFFAOYSA-N 0 0 192.218 1.941 10 0 ADAERN NOCCc1ccc(Cl)o1 75118913 572820816 /nfs/dbraw/zinc/82/08/16/572820816.db2.gz IKOPNWVHERXPQQ-UHFFFAOYSA-N 0 0 161.588 1.366 10 0 ADAERN COC(=O)[C@@H]1CCN=C(SC)C1 118174154 572820820 /nfs/dbraw/zinc/82/08/20/572820820.db2.gz DPPPMJHDBQLBTK-ZCFIWIBFSA-N 0 0 187.264 1.331 10 0 ADAERN CC(C)OCCn1cccc1[C@H](C)O 85833349 572820827 /nfs/dbraw/zinc/82/08/27/572820827.db2.gz MLLNRGSKEXUGRJ-JTQLQIEISA-N 0 0 197.278 1.966 10 0 ADAERN COc1nc(C2CC2)nc(C)c1C=O 75120188 572820838 /nfs/dbraw/zinc/82/08/38/572820838.db2.gz MLBWWOGPDWQZAL-UHFFFAOYSA-N 0 0 192.218 1.484 10 0 ADAERN CCOCn1cccc1C(C)=O 85832585 572820848 /nfs/dbraw/zinc/82/08/48/572820848.db2.gz LNTWSSQXNCJAHR-UHFFFAOYSA-N 0 0 167.208 1.685 10 0 ADAERN COc1ccc2c(ccn2C)c1C=O 75119391 572820853 /nfs/dbraw/zinc/82/08/53/572820853.db2.gz VDHXWODFQUJQOD-UHFFFAOYSA-N 0 0 189.214 1.999 10 0 ADAERN COc1cc(C)ccc1CCON 75119290 572820855 /nfs/dbraw/zinc/82/08/55/572820855.db2.gz WLDZZZBGNPGNSW-UHFFFAOYSA-N 0 0 181.235 1.436 10 0 ADAERN c1ccn(NCCCn2ccnc2)c1 85830629 572820929 /nfs/dbraw/zinc/82/09/29/572820929.db2.gz QCLUITLXLLLYCH-UHFFFAOYSA-N 0 0 190.250 1.318 10 0 ADAERN COC(=O)[C@@H](C)Nn1c(C)ccc1C 85829977 572820938 /nfs/dbraw/zinc/82/09/38/572820938.db2.gz MJOVAUBQTSYNQO-SECBINFHSA-N 0 0 196.250 1.210 10 0 ADAERN COC(=O)CCn1cccc1C(C)=O 85832657 572820942 /nfs/dbraw/zinc/82/09/42/572820942.db2.gz HWVGRRJLMCGXLO-UHFFFAOYSA-N 0 0 195.218 1.254 10 0 ADAERN CC[C@H](O)CNn1c(C)ccc1C 85831098 572820971 /nfs/dbraw/zinc/82/09/71/572820971.db2.gz NGCSCUKZDWCNAP-JTQLQIEISA-N 0 0 182.267 1.419 10 0 ADAERN COC[C@@H](C)Nn1c(C)ccc1C 85829939 572820977 /nfs/dbraw/zinc/82/09/77/572820977.db2.gz GBZUCFXJQJPORY-MRVPVSSYSA-N 0 0 182.267 1.683 10 0 ADAERN CCCCOC(=O)CNn1cccc1 85830532 572820979 /nfs/dbraw/zinc/82/09/79/572820979.db2.gz UHNBNQPEIBZYPP-UHFFFAOYSA-N 0 0 196.250 1.375 10 0 ADAERN CC(=O)c1ccn(CCCCO)c1 85833030 572821006 /nfs/dbraw/zinc/82/10/06/572821006.db2.gz AJPMFXGYZYUYCH-UHFFFAOYSA-N 0 0 181.235 1.463 10 0 ADAERN CCc1nn2cccnc2c1C=O 71470699 572821023 /nfs/dbraw/zinc/82/10/23/572821023.db2.gz DQFLOIHJYFVIQL-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN COCCNn1c(C)ccc1C 85830971 572821030 /nfs/dbraw/zinc/82/10/30/572821030.db2.gz SZGHPYMSKMDCPN-UHFFFAOYSA-N 0 0 168.240 1.295 10 0 ADAERN c1ccn(NCC[C@H]2CCCO2)c1 85830365 572821053 /nfs/dbraw/zinc/82/10/53/572821053.db2.gz LPEBWCIFDUOQLQ-SNVBAGLBSA-N 0 0 180.251 1.601 10 0 ADAERN CCC[C@H](O)c1cn(C(C)C)nn1 308144381 572821087 /nfs/dbraw/zinc/82/10/87/572821087.db2.gz NBTYRBKIQWHVRY-VIFPVBQESA-N 0 0 183.255 1.693 10 0 ADAERN COCCn1cccc1[C@H](C)O 85833479 572821176 /nfs/dbraw/zinc/82/11/76/572821176.db2.gz LSPSBGNFMVNODD-QMMMGPOBSA-N 0 0 169.224 1.188 10 0 ADAERN c1cncc(CCNn2cccc2)c1 85830494 572821181 /nfs/dbraw/zinc/82/11/81/572821181.db2.gz NRLKTVMEGUYIMR-UHFFFAOYSA-N 0 0 187.246 1.669 10 0 ADAERN Cn1c(C=O)ccc1[C@@H]1CCCOC1 75120810 572821227 /nfs/dbraw/zinc/82/12/27/572821227.db2.gz JYANTUWBAWLZDI-SECBINFHSA-N 0 0 193.246 1.732 10 0 ADAERN CCC[C@H](C)COC(=O)[C@H](C)O 307948416 572821245 /nfs/dbraw/zinc/82/12/45/572821245.db2.gz AMGHQYDDPHJNCS-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN Cc1noc(N[C@H]2CCO[C@H](C)C2)n1 235361392 572821279 /nfs/dbraw/zinc/82/12/79/572821279.db2.gz DDSPWTNYOZFPKB-SVRRBLITSA-N 0 0 197.238 1.357 10 0 ADAERN Cc1cc2c(c(C)c1O)COC[C@H]2[NH3+] 713760634 572821280 /nfs/dbraw/zinc/82/12/80/572821280.db2.gz GGWLSRMBGAAPSF-SNVBAGLBSA-N 0 0 193.246 1.539 10 0 ADAERN COc1c(CC(C)C)nc[nH]c1=S 234859653 572821307 /nfs/dbraw/zinc/82/13/07/572821307.db2.gz SPJGBNDJMXPIEO-UHFFFAOYSA-N 0 0 198.291 1.972 10 0 ADAERN C[NH2+]Cc1cncn1CCCCF 308140746 572821309 /nfs/dbraw/zinc/82/13/09/572821309.db2.gz SSZFYZHYHLEBMU-UHFFFAOYSA-N 0 0 185.246 1.352 10 0 ADAERN Cc1ccn2c(C(N)=O)c(C)nc2c1 71458969 572821320 /nfs/dbraw/zinc/82/13/20/572821320.db2.gz AJVNJLGPJVSTON-UHFFFAOYSA-N 0 0 189.218 1.050 10 0 ADAERN Cc1cc(C=O)cc(C[NH+](C)C)c1[O-] 75120774 572821324 /nfs/dbraw/zinc/82/13/24/572821324.db2.gz KZRKHPWJVDMVRS-UHFFFAOYSA-N 0 0 193.246 1.575 10 0 ADAERN CCC(=O)N(C)C[C@H](C)COC 307948718 572821327 /nfs/dbraw/zinc/82/13/27/572821327.db2.gz MBZZCZHMMHOMNI-QMMMGPOBSA-N 0 0 173.256 1.137 10 0 ADAERN COC(=O)CCn1cccc1[C@H](C)O 85833167 572821333 /nfs/dbraw/zinc/82/13/33/572821333.db2.gz BWRRNVFJQZZZDP-QMMMGPOBSA-N 0 0 197.234 1.105 10 0 ADAERN NC(=O)[C@H]1C[C@H]1COc1ccccc1 238564838 572821350 /nfs/dbraw/zinc/82/13/50/572821350.db2.gz QGGNQNYQRTXWKF-WPRPVWTQSA-N 0 0 191.230 1.187 10 0 ADAERN COC(=O)CCNn1c(C)ccc1C 85831119 572821389 /nfs/dbraw/zinc/82/13/89/572821389.db2.gz OYNMYBARQXYCPM-UHFFFAOYSA-N 0 0 196.250 1.212 10 0 ADAERN COCC(=O)OCC1CC=CC1 307948682 572821391 /nfs/dbraw/zinc/82/13/91/572821391.db2.gz ARGDKLTUHJIFDK-UHFFFAOYSA-N 0 0 170.208 1.142 10 0 ADAERN COC(=O)CCn1cccc1[C@@H](C)O 85833169 572821396 /nfs/dbraw/zinc/82/13/96/572821396.db2.gz BWRRNVFJQZZZDP-MRVPVSSYSA-N 0 0 197.234 1.105 10 0 ADAERN c1ccn(NCCC[C@H]2CCCO2)c1 85830360 572821481 /nfs/dbraw/zinc/82/14/81/572821481.db2.gz YKWMOWFZFKIQKL-NSHDSACASA-N 0 0 194.278 1.991 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[C@@H]([NH3+])C1CCC1 308139680 572821483 /nfs/dbraw/zinc/82/14/83/572821483.db2.gz RHJZZHUGOLIKLW-WCBMZHEXSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1nccn1CCNn1cccc1 85830791 572821493 /nfs/dbraw/zinc/82/14/93/572821493.db2.gz RPLSEABJUMTRCH-UHFFFAOYSA-N 0 0 190.250 1.237 10 0 ADAERN CC(=O)c1cccn1CCCO 85832460 572821512 /nfs/dbraw/zinc/82/15/12/572821512.db2.gz FCPAIHVEFWERKL-UHFFFAOYSA-N 0 0 167.208 1.073 10 0 ADAERN Cc1nc(-c2cc(N)cn2C)ns1 75121636 572821530 /nfs/dbraw/zinc/82/15/30/572821530.db2.gz FKADAPHHLPTQGC-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN COc1cc(-c2cc(N)cn2C)on1 75120650 572821552 /nfs/dbraw/zinc/82/15/52/572821552.db2.gz VYIMGLFJNLROFP-UHFFFAOYSA-N 0 0 193.206 1.271 10 0 ADAERN CC[C@@H](O)C(=O)OCCCCF 307949270 572821555 /nfs/dbraw/zinc/82/15/55/572821555.db2.gz BDOHGFQRSCTNFN-SSDOTTSWSA-N 0 0 178.203 1.050 10 0 ADAERN COC1CC(N2CCC(=O)C[C@@H]2C)C1 234606969 572821560 /nfs/dbraw/zinc/82/15/60/572821560.db2.gz AWVKMCLNZBAIBU-SILCLGDVSA-N 0 0 197.278 1.217 10 0 ADAERN CN1CCC(=O)[C@@H](Cc2ccco2)C1 75120930 572821563 /nfs/dbraw/zinc/82/15/63/572821563.db2.gz JMODETPKMAYWJF-VIFPVBQESA-N 0 0 193.246 1.343 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)CCSC 307947967 572821593 /nfs/dbraw/zinc/82/15/93/572821593.db2.gz LRKQQHMLXSTEOM-YUMQZZPRSA-N 0 0 187.308 1.654 10 0 ADAERN CCC(=O)[C@@H](C)Cc1cc(C)n(C)n1 75121745 572821596 /nfs/dbraw/zinc/82/15/96/572821596.db2.gz LIJXSJMCFHLNNB-QMMMGPOBSA-N 0 0 194.278 1.886 10 0 ADAERN CCC(=O)[C@H](C)Cc1cc(C)n(C)n1 75121749 572821603 /nfs/dbraw/zinc/82/16/03/572821603.db2.gz LIJXSJMCFHLNNB-MRVPVSSYSA-N 0 0 194.278 1.886 10 0 ADAERN CCN(OC)C(=O)c1nccs1 307948501 572821619 /nfs/dbraw/zinc/82/16/19/572821619.db2.gz AOYWDAKUHBHHDE-UHFFFAOYSA-N 0 0 186.236 1.167 10 0 ADAERN OCc1c(C2CC2)nn2cccnc12 71470837 572821627 /nfs/dbraw/zinc/82/16/27/572821627.db2.gz WQCWDQAGNRNFIK-UHFFFAOYSA-N 0 0 189.218 1.099 10 0 ADAERN Cc1oc2c(c1C=O)NC(=O)[C@H](C)N2 75121339 572821629 /nfs/dbraw/zinc/82/16/29/572821629.db2.gz QRKGUONJTJFUMU-BYPYZUCNSA-N 0 0 194.190 1.153 10 0 ADAERN CCNC(=O)C1(CC(C)C)CC1 307948387 572821634 /nfs/dbraw/zinc/82/16/34/572821634.db2.gz ALENFSGRKLXYNF-UHFFFAOYSA-N 0 0 169.268 1.949 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)CCSC 307947966 572821645 /nfs/dbraw/zinc/82/16/45/572821645.db2.gz LRKQQHMLXSTEOM-SFYZADRCSA-N 0 0 187.308 1.654 10 0 ADAERN CCOC(=O)Cn1cccc1[C@H](C)O 85833542 572821660 /nfs/dbraw/zinc/82/16/60/572821660.db2.gz GMPMHBWYXJAFLJ-QMMMGPOBSA-N 0 0 197.234 1.105 10 0 ADAERN NOCCc1c[nH]c2ccc(F)cc12 75121416 572821671 /nfs/dbraw/zinc/82/16/71/572821671.db2.gz YCMQPSBDAUHOBJ-UHFFFAOYSA-N 0 0 194.209 1.740 10 0 ADAERN CC1(C)CC[C@@H]1NC(=O)CCCO 308140473 572821696 /nfs/dbraw/zinc/82/16/96/572821696.db2.gz KUOPYBMNTXTQNB-QMMMGPOBSA-N 0 0 185.267 1.064 10 0 ADAERN CC[C@H](O)C(=O)OCCCCF 307949271 572821699 /nfs/dbraw/zinc/82/16/99/572821699.db2.gz BDOHGFQRSCTNFN-ZETCQYMHSA-N 0 0 178.203 1.050 10 0 ADAERN CCCCOCCNn1cccc1 85830554 572821727 /nfs/dbraw/zinc/82/17/27/572821727.db2.gz VTHGBDQZRNAAJX-UHFFFAOYSA-N 0 0 182.267 1.848 10 0 ADAERN CCC(=O)CCSCC(=O)OC 307947900 572821747 /nfs/dbraw/zinc/82/17/47/572821747.db2.gz LMXKVMAPCJXKRB-UHFFFAOYSA-N 0 0 190.264 1.262 10 0 ADAERN CCOC(=O)[C@H](C)CNn1cccc1 85830954 572821767 /nfs/dbraw/zinc/82/17/67/572821767.db2.gz FYWQTHMLRMSUTD-SECBINFHSA-N 0 0 196.250 1.231 10 0 ADAERN c1ccn(NCC[C@@H]2CCCO2)c1 85830363 572821783 /nfs/dbraw/zinc/82/17/83/572821783.db2.gz LPEBWCIFDUOQLQ-JTQLQIEISA-N 0 0 180.251 1.601 10 0 ADAERN Cn1ccc(-c2cn(N)c(=S)[nH]2)c1 75121637 572824554 /nfs/dbraw/zinc/82/45/54/572824554.db2.gz ZNWDSPCZPUSODP-UHFFFAOYSA-N 0 0 194.263 1.265 10 0 ADAERN CCC[C@H](CO)CO[C@H]1CCOC1 308144423 572821806 /nfs/dbraw/zinc/82/18/06/572821806.db2.gz NBWPLTIUIPFPJT-ZJUUUORDSA-N 0 0 188.267 1.201 10 0 ADAERN COCCCNn1c(C)ccc1C 85831325 572821812 /nfs/dbraw/zinc/82/18/12/572821812.db2.gz RPTJYJIWCRSHCW-UHFFFAOYSA-N 0 0 182.267 1.685 10 0 ADAERN CO[C@H](C(=O)OC1CC1)C(C)C 307948704 572821818 /nfs/dbraw/zinc/82/18/18/572821818.db2.gz ASDOEOQQUOEVBH-QMMMGPOBSA-N 0 0 172.224 1.363 10 0 ADAERN CC1(C)CC[C@H]1NC(=O)CCCO 308140470 572821828 /nfs/dbraw/zinc/82/18/28/572821828.db2.gz KUOPYBMNTXTQNB-MRVPVSSYSA-N 0 0 185.267 1.064 10 0 ADAERN O[C@@H](CCC1CC1)[C@H](O)C1CC1 236526648 572821834 /nfs/dbraw/zinc/82/18/34/572821834.db2.gz ARBVXCFBXXLCSA-VHSXEESVSA-N 0 0 170.252 1.308 10 0 ADAERN COC(C)(C)CNc1nc(C)no1 234604876 572821848 /nfs/dbraw/zinc/82/18/48/572821848.db2.gz ZZGROQDPHQOTRK-UHFFFAOYSA-N 0 0 185.227 1.215 10 0 ADAERN C[C@H]1COCCc2cn(C)c(C=O)c21 75120798 572821868 /nfs/dbraw/zinc/82/18/68/572821868.db2.gz UWUSHTIQQUFMOW-QMMMGPOBSA-N 0 0 193.246 1.514 10 0 ADAERN COc1nc(C(C)(C)C)ncc1C=O 75121514 572821872 /nfs/dbraw/zinc/82/18/72/572821872.db2.gz FCGNWSVRVDVZLD-UHFFFAOYSA-N 0 0 194.234 1.595 10 0 ADAERN NC(=O)[C@H]1C[C@H]1CCc1ccccc1 238564814 572821874 /nfs/dbraw/zinc/82/18/74/572821874.db2.gz QDSFXYDTJMLVRT-MNOVXSKESA-N 0 0 189.258 1.741 10 0 ADAERN [NH3+]C[C@@](CC1CC1)(C(=O)[O-])C1CCC1 236238453 572821876 /nfs/dbraw/zinc/82/18/76/572821876.db2.gz PFERBVULXQFCIT-LLVKDONJSA-N 0 0 197.278 1.616 10 0 ADAERN CCC[C@H](C)COC(=O)[C@@H](C)O 307948412 572821877 /nfs/dbraw/zinc/82/18/77/572821877.db2.gz AMGHQYDDPHJNCS-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)Cn1cccc1[C@@H](C)O 85833541 572821888 /nfs/dbraw/zinc/82/18/88/572821888.db2.gz GMPMHBWYXJAFLJ-MRVPVSSYSA-N 0 0 197.234 1.105 10 0 ADAERN CCOCCn1ccc(C(C)=O)c1 85832814 572821900 /nfs/dbraw/zinc/82/19/00/572821900.db2.gz MNQLTIBZBWQFLP-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN Cn1cc(-c2cnsn2)cc1C=O 75120724 572821902 /nfs/dbraw/zinc/82/19/02/572821902.db2.gz GKIFYZJTCWYULI-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN CC(C)(C)NC(=O)C1(CCO)CC1 308139813 572821951 /nfs/dbraw/zinc/82/19/51/572821951.db2.gz HPJCIXYGDWOCHF-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN C[C@@H](O)c1ccc(O)c2ncccc12 71453890 572821957 /nfs/dbraw/zinc/82/19/57/572821957.db2.gz ICRIDBBWEKAZMG-SSDOTTSWSA-N 0 0 189.214 1.994 10 0 ADAERN COc1ccncc1[C@H](O)CSC 308140233 572821987 /nfs/dbraw/zinc/82/19/87/572821987.db2.gz KQCWHUOYDFINBH-MRVPVSSYSA-N 0 0 199.275 1.487 10 0 ADAERN C[C@H](O)c1cccn1CCCCO 85833701 572822003 /nfs/dbraw/zinc/82/20/03/572822003.db2.gz IFHGDYMRSIAELI-VIFPVBQESA-N 0 0 183.251 1.314 10 0 ADAERN COCCCn1cccc1C(C)=O 85832603 572822008 /nfs/dbraw/zinc/82/20/08/572822008.db2.gz RIYOYSYPZPZBHP-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN c1ccn(NCCc2ccncc2)c1 85830938 572822022 /nfs/dbraw/zinc/82/20/22/572822022.db2.gz SRZCWIVFYWAAAY-UHFFFAOYSA-N 0 0 187.246 1.669 10 0 ADAERN C=COCCC(C)(C)OC 234606878 572822034 /nfs/dbraw/zinc/82/20/34/572822034.db2.gz VSYYCILBIVGSPM-UHFFFAOYSA-N 0 0 144.214 1.962 10 0 ADAERN CC(=O)c1cccn1CCCCO 85832718 572822045 /nfs/dbraw/zinc/82/20/45/572822045.db2.gz BEHFJZNNMDTXBN-UHFFFAOYSA-N 0 0 181.235 1.463 10 0 ADAERN CC[C@@H]1C(=O)NN[C@@]12CC[C@@H](C)C2 714338528 572822055 /nfs/dbraw/zinc/82/20/55/572822055.db2.gz POLSJSGPAUSITQ-NQMVMOMDSA-N 0 0 182.267 1.206 10 0 ADAERN CC(C)C1(COC(=O)[C@@H](C)O)CC1 308140108 572822060 /nfs/dbraw/zinc/82/20/60/572822060.db2.gz HXOAWLCIUQKUFS-MRVPVSSYSA-N 0 0 186.251 1.347 10 0 ADAERN NC(=O)N(O)CC[C@H]1C[C@H]1C1CC1 238563605 572822061 /nfs/dbraw/zinc/82/20/61/572822061.db2.gz XBNUIIXZQPOVQL-YUMQZZPRSA-N 0 0 184.239 1.193 10 0 ADAERN CC[C@H](SC)C(=O)OCCOC 307947891 572822072 /nfs/dbraw/zinc/82/20/72/572822072.db2.gz AEEQDGDXHCBJSU-ZETCQYMHSA-N 0 0 192.280 1.318 10 0 ADAERN CCOCCn1cccc1[C@H](C)O 85833126 572822121 /nfs/dbraw/zinc/82/21/21/572822121.db2.gz YAYUANIFUJWBGS-VIFPVBQESA-N 0 0 183.251 1.578 10 0 ADAERN C[C@H]1Cc2ccc(O)c(N)c2N1 713760988 572822126 /nfs/dbraw/zinc/82/21/26/572822126.db2.gz MWYRURDCVQHTOF-YFKPBYRVSA-N 0 0 164.208 1.331 10 0 ADAERN CC(C)OCCn1cccc1[C@@H](C)O 85833347 572822148 /nfs/dbraw/zinc/82/21/48/572822148.db2.gz MLLNRGSKEXUGRJ-SNVBAGLBSA-N 0 0 197.278 1.966 10 0 ADAERN O=Cc1c(C2CC2)nn2cccnc12 71470680 572822158 /nfs/dbraw/zinc/82/21/58/572822158.db2.gz LMOUJELJCKOJLY-UHFFFAOYSA-N 0 0 187.202 1.419 10 0 ADAERN Cc1ccc(C)n1NCCCCO 85831286 572822161 /nfs/dbraw/zinc/82/21/61/572822161.db2.gz CWKIOFKTCGGAPZ-UHFFFAOYSA-N 0 0 182.267 1.421 10 0 ADAERN COC(=O)CCn1ccc(C(C)=O)c1 85832968 572822175 /nfs/dbraw/zinc/82/21/75/572822175.db2.gz OMABDIJFMZKTEU-UHFFFAOYSA-N 0 0 195.218 1.254 10 0 ADAERN Cc1cc(O)c(C)c(C)c1C(N)=O 71456310 572822227 /nfs/dbraw/zinc/82/22/27/572822227.db2.gz WCCRGSWQWXUTCN-UHFFFAOYSA-N 0 0 179.219 1.416 10 0 ADAERN C[C@]([NH3+])(CF)c1ccccn1 713761166 572822293 /nfs/dbraw/zinc/82/22/93/572822293.db2.gz IFKHYTFSTPRMBG-QMMMGPOBSA-N 0 0 154.188 1.225 10 0 ADAERN C[C@H](O)c1ccc(O)c2ncccc12 71453889 572822313 /nfs/dbraw/zinc/82/23/13/572822313.db2.gz ICRIDBBWEKAZMG-ZETCQYMHSA-N 0 0 189.214 1.994 10 0 ADAERN O[C@H](CNn1cccc1)c1ccco1 85830481 572822324 /nfs/dbraw/zinc/82/23/24/572822324.db2.gz IMNMQLZHZJJLFF-SECBINFHSA-N 0 0 192.218 1.358 10 0 ADAERN COCCOC(=O)CC1CCC1 307948781 572822352 /nfs/dbraw/zinc/82/23/52/572822352.db2.gz AUNZHRVHTIAUSF-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN FC(F)(F)OCCNn1cccc1 85830585 572822355 /nfs/dbraw/zinc/82/23/55/572822355.db2.gz NXNWHIPQVNGASZ-UHFFFAOYSA-N 0 0 194.156 1.568 10 0 ADAERN C[C@@H](O)Cn1ccc([C@H](O)C2CC2)c1 85845004 572827047 /nfs/dbraw/zinc/82/70/47/572827047.db2.gz RREHWSOKWQRONJ-LDYMZIIASA-N 0 0 195.262 1.312 10 0 ADAERN CC(=O)c1cn(C)c2c1CN(C)CC2 75120440 572822390 /nfs/dbraw/zinc/82/23/90/572822390.db2.gz GODRSSYFMXOGPV-UHFFFAOYSA-N 0 0 192.262 1.216 10 0 ADAERN CCOCCn1cccc1[C@@H](C)O 85833122 572822399 /nfs/dbraw/zinc/82/23/99/572822399.db2.gz YAYUANIFUJWBGS-SECBINFHSA-N 0 0 183.251 1.578 10 0 ADAERN CCC(CC)CCNS(C)(=O)=O 307947987 572822419 /nfs/dbraw/zinc/82/24/19/572822419.db2.gz LTGXIECFQSSBDU-UHFFFAOYSA-N 0 0 193.312 1.362 10 0 ADAERN CCC(=O)OCc1cnoc1C 307949341 572822441 /nfs/dbraw/zinc/82/24/41/572822441.db2.gz MMNMBHAZCCGXLA-UHFFFAOYSA-N 0 0 169.180 1.436 10 0 ADAERN Cc1csc(-n2cncc2C[NH3+])n1 75121632 572822442 /nfs/dbraw/zinc/82/24/42/572822442.db2.gz ZVYRSGAYMAQGSZ-UHFFFAOYSA-N 0 0 194.263 1.096 10 0 ADAERN Nc1c[nH]c(C2CCS(=O)CC2)c1 75124639 572822503 /nfs/dbraw/zinc/82/25/03/572822503.db2.gz PFCABDUOKMPTLC-UHFFFAOYSA-N 0 0 198.291 1.223 10 0 ADAERN COC[C@H](C)Nn1c(C)ccc1C 85829938 572822509 /nfs/dbraw/zinc/82/25/09/572822509.db2.gz GBZUCFXJQJPORY-QMMMGPOBSA-N 0 0 182.267 1.683 10 0 ADAERN Nc1c[nH]c([C@@H]2CCC[S@@](=O)C2)c1 75124641 572822530 /nfs/dbraw/zinc/82/25/30/572822530.db2.gz JIJIGLUHLNOPJR-UHLUBPPHSA-N 0 0 198.291 1.223 10 0 ADAERN CC(=O)c1ccn(CCCCCO)c1 85832838 572822536 /nfs/dbraw/zinc/82/25/36/572822536.db2.gz QBBYDDVLDVSRLN-UHFFFAOYSA-N 0 0 195.262 1.853 10 0 ADAERN Cc1oc2c(c1C=O)NC(=O)[C@@H](C)N2 75121337 572822544 /nfs/dbraw/zinc/82/25/44/572822544.db2.gz QRKGUONJTJFUMU-SCSAIBSYSA-N 0 0 194.190 1.153 10 0 ADAERN COCC(=O)OCC(C)(C)SC 307949169 572822545 /nfs/dbraw/zinc/82/25/45/572822545.db2.gz AYUXVNAGIMQENK-UHFFFAOYSA-N 0 0 192.280 1.318 10 0 ADAERN CCOC(=O)C[C@H](C)Nn1cccc1 85830874 572822560 /nfs/dbraw/zinc/82/25/60/572822560.db2.gz GSYZMSDFYTYTND-VIFPVBQESA-N 0 0 196.250 1.373 10 0 ADAERN [NH3+][C@@]1(CO)CCc2cc(F)cc(F)c21 713760792 572827082 /nfs/dbraw/zinc/82/70/82/572827082.db2.gz HXGKMJAMPPWQSP-SNVBAGLBSA-N 0 0 199.200 1.057 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[C@H]([NH3+])C1CCC1 308139676 572822575 /nfs/dbraw/zinc/82/25/75/572822575.db2.gz RHJZZHUGOLIKLW-PSASIEDQSA-N 0 0 185.267 1.615 10 0 ADAERN CSCCCCCn1cncn1 308140579 572822584 /nfs/dbraw/zinc/82/25/84/572822584.db2.gz GZTQRCICIDDAAZ-UHFFFAOYSA-N 0 0 185.296 1.811 10 0 ADAERN CN1CCc2cc(CCON)ccc21 75120460 572822616 /nfs/dbraw/zinc/82/26/16/572822616.db2.gz RGUDBIHCKLLUIJ-UHFFFAOYSA-N 0 0 192.262 1.112 10 0 ADAERN NC(=O)[C@H]1C[C@@H]1CCc1ccccc1 238563859 572822627 /nfs/dbraw/zinc/82/26/27/572822627.db2.gz QDSFXYDTJMLVRT-QWRGUYRKSA-N 0 0 189.258 1.741 10 0 ADAERN CCOC(=O)Cn1cccc1C(C)=O 85832633 572822636 /nfs/dbraw/zinc/82/26/36/572822636.db2.gz SNLCPOGVBASFIP-UHFFFAOYSA-N 0 0 195.218 1.254 10 0 ADAERN CCOC(=O)[C@@H](C)CNn1cccc1 85830951 572822644 /nfs/dbraw/zinc/82/26/44/572822644.db2.gz FYWQTHMLRMSUTD-VIFPVBQESA-N 0 0 196.250 1.231 10 0 ADAERN CCCC(=O)OCc1c[nH]cn1 307949244 572822645 /nfs/dbraw/zinc/82/26/45/572822645.db2.gz BBHTXYCBPQGZBW-UHFFFAOYSA-N 0 0 168.196 1.253 10 0 ADAERN Cc1cn(C)c(C)c1C(=O)C(C)(C)[NH3+] 75121642 572822662 /nfs/dbraw/zinc/82/26/62/572822662.db2.gz ACHSFXDRHVPBSK-UHFFFAOYSA-N 0 0 194.278 1.562 10 0 ADAERN Cn1c(N)nc2cc3ncccc3nc21 238565022 572822687 /nfs/dbraw/zinc/82/26/87/572822687.db2.gz SBASGTHFNWMTRA-UHFFFAOYSA-N 0 0 199.217 1.099 10 0 ADAERN NC(=O)N(O)CCC1(C2CC2)CC1 238563552 572822692 /nfs/dbraw/zinc/82/26/92/572822692.db2.gz YOJYRGJYSSONCO-UHFFFAOYSA-N 0 0 184.239 1.337 10 0 ADAERN Cc1c(C=O)c2c(n1C)CCN(C)C2 75120441 572822694 /nfs/dbraw/zinc/82/26/94/572822694.db2.gz NUZJVWODMIZISO-UHFFFAOYSA-N 0 0 192.262 1.134 10 0 ADAERN Cn1cc(C=O)c(CCC[NH+](C)C)c1 75121639 572822718 /nfs/dbraw/zinc/82/27/18/572822718.db2.gz MHHFPWIQYKIMPV-UHFFFAOYSA-N 0 0 194.278 1.332 10 0 ADAERN O[C@@H](CNn1cccc1)c1ccco1 85830479 572822721 /nfs/dbraw/zinc/82/27/21/572822721.db2.gz IMNMQLZHZJJLFF-VIFPVBQESA-N 0 0 192.218 1.358 10 0 ADAERN CC[C@@H]1C(=O)NN[C@]12CC[C@@H](C)C2 714338527 572822724 /nfs/dbraw/zinc/82/27/24/572822724.db2.gz POLSJSGPAUSITQ-MRTMQBJTSA-N 0 0 182.267 1.206 10 0 ADAERN Cc1ccc(C)n1NCCCCCO 85831024 572822728 /nfs/dbraw/zinc/82/27/28/572822728.db2.gz DNYPVEYCDJLIEL-UHFFFAOYSA-N 0 0 196.294 1.811 10 0 ADAERN CC(C)/C=C\C(=O)NCC(C)C 307948425 572822741 /nfs/dbraw/zinc/82/27/41/572822741.db2.gz LURLWBJXIQGRHI-WAYWQWQTSA-N 0 0 169.268 1.971 10 0 ADAERN CC(C)c1csc2cnc(C[NH3+])n12 71478896 572827089 /nfs/dbraw/zinc/82/70/89/572827089.db2.gz VIKXXLPDJOFCPX-UHFFFAOYSA-N 0 0 195.291 1.978 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)CCCO 118205698 572827090 /nfs/dbraw/zinc/82/70/90/572827090.db2.gz ZMXLBRXUWBKDGJ-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H](O)c1cccn1CCCCO 85833703 572822778 /nfs/dbraw/zinc/82/27/78/572822778.db2.gz IFHGDYMRSIAELI-SECBINFHSA-N 0 0 183.251 1.314 10 0 ADAERN CCC(CC)N(C)C(=O)[C@H](C)O 307949359 572822815 /nfs/dbraw/zinc/82/28/15/572822815.db2.gz MOKVOIVBKKEKBD-ZETCQYMHSA-N 0 0 173.256 1.014 10 0 ADAERN CCC[C@@H](O)c1cn(C(C)C)nn1 308144380 572822824 /nfs/dbraw/zinc/82/28/24/572822824.db2.gz NBTYRBKIQWHVRY-SECBINFHSA-N 0 0 183.255 1.693 10 0 ADAERN Cc1ccc2c(c1C)C(=O)C[C@@H]2[NH3+] 713760794 572827091 /nfs/dbraw/zinc/82/70/91/572827091.db2.gz HXOXXJGDTLXGRS-VIFPVBQESA-N 0 0 175.231 1.890 10 0 ADAERN C/C=C\COC(=O)c1csnn1 307949404 572822839 /nfs/dbraw/zinc/82/28/39/572822839.db2.gz MREXXPPVVSWDJJ-IHWYPQMZSA-N 0 0 184.220 1.271 10 0 ADAERN CCOC(=O)C[C@@H](C)Nn1cccc1 85830872 572822869 /nfs/dbraw/zinc/82/28/69/572822869.db2.gz GSYZMSDFYTYTND-SECBINFHSA-N 0 0 196.250 1.373 10 0 ADAERN C/C=C/COC(=O)c1csnn1 307949405 572822904 /nfs/dbraw/zinc/82/29/04/572822904.db2.gz MREXXPPVVSWDJJ-NSCUHMNNSA-N 0 0 184.220 1.271 10 0 ADAERN CCOCCCNn1cccc1 85830335 572822912 /nfs/dbraw/zinc/82/29/12/572822912.db2.gz KXZMHVWHARQXOY-UHFFFAOYSA-N 0 0 168.240 1.458 10 0 ADAERN CCC(=O)N(C)C[C@@H](C)COC 307948716 572822916 /nfs/dbraw/zinc/82/29/16/572822916.db2.gz MBZZCZHMMHOMNI-MRVPVSSYSA-N 0 0 173.256 1.137 10 0 ADAERN C[C@@H](O)c1cccn1CCCCCO 85833276 572822954 /nfs/dbraw/zinc/82/29/54/572822954.db2.gz MSIHDNOYOHSFMB-SNVBAGLBSA-N 0 0 197.278 1.704 10 0 ADAERN CC[C@@H]1C(=O)NN[C@@]12CC[C@H](C)C2 714338529 572822964 /nfs/dbraw/zinc/82/29/64/572822964.db2.gz POLSJSGPAUSITQ-QXFUBDJGSA-N 0 0 182.267 1.206 10 0 ADAERN Cc1cc[nH]c1C(=O)OCCF 308140001 572822969 /nfs/dbraw/zinc/82/29/69/572822969.db2.gz GRQNBSUYZYLLBC-UHFFFAOYSA-N 0 0 171.171 1.449 10 0 ADAERN CC/C=C\C(=O)N[C@H]1CCSC1 307948714 572823034 /nfs/dbraw/zinc/82/30/34/572823034.db2.gz MBRIMMYTVCZMST-VEMNSZJBSA-N 0 0 185.292 1.574 10 0 ADAERN Cc1c2c(n(C)c1C=O)CCCCN2 75120458 572823054 /nfs/dbraw/zinc/82/30/54/572823054.db2.gz SJVKZIZLMDHPIN-UHFFFAOYSA-N 0 0 192.262 1.894 10 0 ADAERN Cc1cnnc(NCCCCF)c1 308140717 572823085 /nfs/dbraw/zinc/82/30/85/572823085.db2.gz SNTPIZQBGPVHQB-UHFFFAOYSA-N 0 0 183.230 1.947 10 0 ADAERN CC[C@@H](SC)C(=O)OCCOC 307947890 572823094 /nfs/dbraw/zinc/82/30/94/572823094.db2.gz AEEQDGDXHCBJSU-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CC(=O)COC(=O)[C@@H]1C=CCCC1 308144415 572823097 /nfs/dbraw/zinc/82/30/97/572823097.db2.gz KSYCETAKVWPXMS-SECBINFHSA-N 0 0 182.219 1.475 10 0 ADAERN CCC(CC)OC(=O)[C@H](O)CC 307948190 572823105 /nfs/dbraw/zinc/82/31/05/572823105.db2.gz AKAYNMPEGYMKCI-MRVPVSSYSA-N 0 0 174.240 1.489 10 0 ADAERN CCC(=O)OCC1(O)CCCC1 307949443 572823112 /nfs/dbraw/zinc/82/31/12/572823112.db2.gz MSDDXOJORXMVOK-UHFFFAOYSA-N 0 0 172.224 1.245 10 0 ADAERN CCC(CC)N(C)C(=O)[C@@H](C)O 307949358 572823133 /nfs/dbraw/zinc/82/31/33/572823133.db2.gz MOKVOIVBKKEKBD-SSDOTTSWSA-N 0 0 173.256 1.014 10 0 ADAERN CCON(C)C(=O)c1cncs1 308139997 572823136 /nfs/dbraw/zinc/82/31/36/572823136.db2.gz GRKUBHHLUCDIKH-UHFFFAOYSA-N 0 0 186.236 1.167 10 0 ADAERN Nc1c[nH]c([C@H]2CCC[S@@](=O)C2)c1 75124643 572823148 /nfs/dbraw/zinc/82/31/48/572823148.db2.gz JIJIGLUHLNOPJR-CPFSXVBKSA-N 0 0 198.291 1.223 10 0 ADAERN NN[C@H](CC1CCC1)C1=COCC1 308139794 572823158 /nfs/dbraw/zinc/82/31/58/572823158.db2.gz RSIMPIOUSPPFAR-SNVBAGLBSA-N 0 0 182.267 1.313 10 0 ADAERN C[C@H]1CN(C)Cc2c1cn(C)c2C=O 75120446 572823169 /nfs/dbraw/zinc/82/31/69/572823169.db2.gz ODPGZCHPUXBHMC-QMMMGPOBSA-N 0 0 192.262 1.387 10 0 ADAERN CCC[C@@H](CO)CO[C@@H]1CCOC1 308144419 572823181 /nfs/dbraw/zinc/82/31/81/572823181.db2.gz NBWPLTIUIPFPJT-VHSXEESVSA-N 0 0 188.267 1.201 10 0 ADAERN CCC[C@@H](C)COC(=O)[C@@H](C)O 307948411 572823198 /nfs/dbraw/zinc/82/31/98/572823198.db2.gz AMGHQYDDPHJNCS-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN CCC(CC)OC(=O)[C@@H](O)CC 307948191 572823225 /nfs/dbraw/zinc/82/32/25/572823225.db2.gz AKAYNMPEGYMKCI-QMMMGPOBSA-N 0 0 174.240 1.489 10 0 ADAERN Cc1cnc(-n2cncc2C[NH3+])s1 75121630 572823233 /nfs/dbraw/zinc/82/32/33/572823233.db2.gz XVKUIFKZWUWOQU-UHFFFAOYSA-N 0 0 194.263 1.096 10 0 ADAERN CCCNC(=S)NOC1CCC1 307949361 572823237 /nfs/dbraw/zinc/82/32/37/572823237.db2.gz MOYFBTZQXPHSNM-UHFFFAOYSA-N 0 0 188.296 1.345 10 0 ADAERN CC[C@@H](COC)Nn1cccc1 85828251 572823263 /nfs/dbraw/zinc/82/32/63/572823263.db2.gz KZNARDVVANCPDG-VIFPVBQESA-N 0 0 168.240 1.457 10 0 ADAERN COC/C=C/C(=O)N(C)C(C)C 307949161 572823265 /nfs/dbraw/zinc/82/32/65/572823265.db2.gz AYSGWLQOAPJUKA-AATRIKPKSA-N 0 0 171.240 1.056 10 0 ADAERN CC(C)[C@H]1CNc2ccnnc2N1C 75120494 572823270 /nfs/dbraw/zinc/82/32/70/572823270.db2.gz AKEIRILQLFTXML-SECBINFHSA-N 0 0 192.266 1.363 10 0 ADAERN Cc1ccc2nc(C)c(C(N)=O)n2c1 71459326 572823273 /nfs/dbraw/zinc/82/32/73/572823273.db2.gz BPQOEBUUUHLDIJ-UHFFFAOYSA-N 0 0 189.218 1.050 10 0 ADAERN CCc1c(C=O)c2c(n1C)CCOC2 75120785 572823279 /nfs/dbraw/zinc/82/32/79/572823279.db2.gz ACDIZEZOPHMBFN-UHFFFAOYSA-N 0 0 193.246 1.473 10 0 ADAERN CCOC(=O)CS[C@@H]1CCCO1 307948790 572823281 /nfs/dbraw/zinc/82/32/81/572823281.db2.gz AUSOYZGNDYBHNS-MRVPVSSYSA-N 0 0 190.264 1.419 10 0 ADAERN CC[C@H](O)c1ccn(C[C@@H](C)O)c1 85839137 572823293 /nfs/dbraw/zinc/82/32/93/572823293.db2.gz LKPRWJKCGCANRK-SCZZXKLOSA-N 0 0 183.251 1.312 10 0 ADAERN Cc1cc2c(c(C)c1O)COC[C@@H]2[NH3+] 713760629 572823294 /nfs/dbraw/zinc/82/32/94/572823294.db2.gz GGWLSRMBGAAPSF-JTQLQIEISA-N 0 0 193.246 1.539 10 0 ADAERN Nc1c[nH]c([C@@H]2CCC[S@](=O)C2)c1 75124645 572823322 /nfs/dbraw/zinc/82/33/22/572823322.db2.gz JIJIGLUHLNOPJR-FUXBKTLASA-N 0 0 198.291 1.223 10 0 ADAERN CC(=O)c1c2c(n(C)c1C)CCOC2 75120784 572823329 /nfs/dbraw/zinc/82/33/29/572823329.db2.gz RTABLYXRLMOOCK-UHFFFAOYSA-N 0 0 193.246 1.609 10 0 ADAERN CCOCCCn1ccc([C@H](C)O)c1 85834626 572823331 /nfs/dbraw/zinc/82/33/31/572823331.db2.gz YRLMBLJFHPYRIY-JTQLQIEISA-N 0 0 197.278 1.968 10 0 ADAERN Cc1cc(C(=O)C(C)(C)[NH3+])c(C)n1C 75121648 572823339 /nfs/dbraw/zinc/82/33/39/572823339.db2.gz ZDOOIXBWBMTLBT-UHFFFAOYSA-N 0 0 194.278 1.562 10 0 ADAERN CCC[C@@H](C)COC(=O)[C@H](C)O 307948414 572823415 /nfs/dbraw/zinc/82/34/15/572823415.db2.gz AMGHQYDDPHJNCS-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN CC(C)C1(COC(=O)[C@H](C)O)CC1 308140110 572823421 /nfs/dbraw/zinc/82/34/21/572823421.db2.gz HXOAWLCIUQKUFS-QMMMGPOBSA-N 0 0 186.251 1.347 10 0 ADAERN COC/C=C\C(=O)N(C)C(C)C 307949163 572823442 /nfs/dbraw/zinc/82/34/42/572823442.db2.gz AYSGWLQOAPJUKA-WAYWQWQTSA-N 0 0 171.240 1.056 10 0 ADAERN CCC(=O)c1ccn(CCCCO)c1 85838604 572823475 /nfs/dbraw/zinc/82/34/75/572823475.db2.gz RCOYITJCHFQSPS-UHFFFAOYSA-N 0 0 195.262 1.853 10 0 ADAERN C[C@@H](O)C(=O)c1cccc2c1OCC2 235263999 572823487 /nfs/dbraw/zinc/82/34/87/572823487.db2.gz XPAYREQLKKOTDJ-SSDOTTSWSA-N 0 0 192.214 1.185 10 0 ADAERN CC[C@@H](O)c1ccn(CCCOC)c1 85838902 572823506 /nfs/dbraw/zinc/82/35/06/572823506.db2.gz HGDBLCARUVUJEO-LLVKDONJSA-N 0 0 197.278 1.968 10 0 ADAERN C[C@H]1[C@@H](C[C@@H](C)O)C(=O)C[C@@H](C)N1C 75125186 572827129 /nfs/dbraw/zinc/82/71/29/572827129.db2.gz LBDCNHUNPPPNHP-DOLQZWNJSA-N 0 0 199.294 1.055 10 0 ADAERN CC[C@](C)(C(=O)[O-])[C@H]([NH3+])C1CCC1 308139678 572823562 /nfs/dbraw/zinc/82/35/62/572823562.db2.gz RHJZZHUGOLIKLW-SCZZXKLOSA-N 0 0 185.267 1.615 10 0 ADAERN CS/C=C\C(=O)N[C@@H]1CC[C@@H]1C 308140491 572823569 /nfs/dbraw/zinc/82/35/69/572823569.db2.gz GZDLTVVARKVELN-HFFNOEQQSA-N 0 0 185.292 1.778 10 0 ADAERN OC[C@@H](O)/C=C\Cc1ccccc1 198905010 572823578 /nfs/dbraw/zinc/82/35/78/572823578.db2.gz OMNANMRIETWFIM-OHYQPGSNSA-N 0 0 178.231 1.139 10 0 ADAERN CCC(=O)c1ccn(CCOC)c1 85838396 572823584 /nfs/dbraw/zinc/82/35/84/572823584.db2.gz MGSQRAZSJPDASF-UHFFFAOYSA-N 0 0 181.235 1.727 10 0 ADAERN C[C@@H]1CN(C)Cc2c1cn(C)c2C=O 75120445 572823606 /nfs/dbraw/zinc/82/36/06/572823606.db2.gz ODPGZCHPUXBHMC-MRVPVSSYSA-N 0 0 192.262 1.387 10 0 ADAERN CON(CCO)CCC(C)(C)C 307948527 572823633 /nfs/dbraw/zinc/82/36/33/572823633.db2.gz AQIUOYHVWVZPRW-UHFFFAOYSA-N 0 0 175.272 1.278 10 0 ADAERN Cc1n[nH]cc1NC1CC[NH+](C)CC1 75121844 572823657 /nfs/dbraw/zinc/82/36/57/572823657.db2.gz KIKFLBZZNQXQKQ-UHFFFAOYSA-N 0 0 194.282 1.224 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)CCSC 307947965 572823660 /nfs/dbraw/zinc/82/36/60/572823660.db2.gz LRKQQHMLXSTEOM-JGVFFNPUSA-N 0 0 187.308 1.654 10 0 ADAERN C[C@@H](O)c1ccn(CCCCCO)c1 85833951 572823665 /nfs/dbraw/zinc/82/36/65/572823665.db2.gz POIRICZBFQSHHS-SNVBAGLBSA-N 0 0 197.278 1.704 10 0 ADAERN CC[C@](C)(C(=O)[O-])[C@@H]([NH3+])C1CCC1 308139682 572823681 /nfs/dbraw/zinc/82/36/81/572823681.db2.gz RHJZZHUGOLIKLW-WPRPVWTQSA-N 0 0 185.267 1.615 10 0 ADAERN CCc1cc(OC)ccc1C(N)=O 71463294 572823707 /nfs/dbraw/zinc/82/37/07/572823707.db2.gz LBGCUUJGTARBFU-UHFFFAOYSA-N 0 0 179.219 1.357 10 0 ADAERN CCOc1ccc(OC)c(O)c1 71455367 572823725 /nfs/dbraw/zinc/82/37/25/572823725.db2.gz ODYHWJDAKGPZTP-UHFFFAOYSA-N 0 0 168.192 1.800 10 0 ADAERN CO[C@@H](C(=O)OC1CC1)C(C)C 307948703 572823726 /nfs/dbraw/zinc/82/37/26/572823726.db2.gz ASDOEOQQUOEVBH-MRVPVSSYSA-N 0 0 172.224 1.363 10 0 ADAERN COC1CC(N2CCC(=O)[C@H](C)C2)C1 234607622 572823728 /nfs/dbraw/zinc/82/37/28/572823728.db2.gz AYWMOWWTJOEALK-XNWIYYODSA-N 0 0 197.278 1.075 10 0 ADAERN Cn1cc(N)cc1C[NH+]1CCCCC1 75121269 572823735 /nfs/dbraw/zinc/82/37/35/572823735.db2.gz BKNARCXPFIAAQE-UHFFFAOYSA-N 0 0 193.294 1.593 10 0 ADAERN COCCCn1ccc([C@H](C)O)c1 85833937 572823745 /nfs/dbraw/zinc/82/37/45/572823745.db2.gz VUAWHPNJUMXCRS-VIFPVBQESA-N 0 0 183.251 1.578 10 0 ADAERN C[C@@]([NH3+])(CF)c1ccccn1 713761163 572823749 /nfs/dbraw/zinc/82/37/49/572823749.db2.gz IFKHYTFSTPRMBG-MRVPVSSYSA-N 0 0 154.188 1.225 10 0 ADAERN CC(=O)OCCCOCC(F)F 307949377 572823770 /nfs/dbraw/zinc/82/37/70/572823770.db2.gz MPVQUTAYAZVVPV-UHFFFAOYSA-N 0 0 182.166 1.221 10 0 ADAERN OC/C=C\[C@@H](O)Cc1ccccc1 198891300 572823781 /nfs/dbraw/zinc/82/37/81/572823781.db2.gz LDQBAAHUIOYSHA-MEQVVJDKSA-N 0 0 178.231 1.139 10 0 ADAERN CC(C)OCCn1ccc([C@H](C)O)c1 85834047 572823788 /nfs/dbraw/zinc/82/37/88/572823788.db2.gz ZJROKVBHYLTNPC-JTQLQIEISA-N 0 0 197.278 1.966 10 0 ADAERN CC[C@@H]1C(=O)NN[C@]12CC[C@H](C)C2 714338530 572823800 /nfs/dbraw/zinc/82/38/00/572823800.db2.gz POLSJSGPAUSITQ-XKSSXDPKSA-N 0 0 182.267 1.206 10 0 ADAERN Cc1nc2c(C)cccn2c1C(N)=O 71458793 572823872 /nfs/dbraw/zinc/82/38/72/572823872.db2.gz QPJLUVPIDCHJNC-UHFFFAOYSA-N 0 0 189.218 1.050 10 0 ADAERN COCCn1ccc([C@@H](O)C(C)C)c1 85843298 572827135 /nfs/dbraw/zinc/82/71/35/572827135.db2.gz VEWHMIQPBFADLS-NSHDSACASA-N 0 0 197.278 1.824 10 0 ADAERN C[C@@H]1Cc2ccc(O)c(N)c2N1 713760978 572823833 /nfs/dbraw/zinc/82/38/33/572823833.db2.gz MWYRURDCVQHTOF-RXMQYKEDSA-N 0 0 164.208 1.331 10 0 ADAERN CC1C[NH+]([C@@H](CC(F)F)C(=O)[O-])C1 308140476 572823920 /nfs/dbraw/zinc/82/39/20/572823920.db2.gz KUUASMJYSCOQHS-LURJTMIESA-N 0 0 193.193 1.047 10 0 ADAERN CC[NH+](CC)Cc1ccn(C)c1C=O 75121652 572823973 /nfs/dbraw/zinc/82/39/73/572823973.db2.gz BUBCOGNAKKJCAG-UHFFFAOYSA-N 0 0 194.278 1.679 10 0 ADAERN CC[NH+](CC)Cc1cn(C)cc1C=O 75121655 572823980 /nfs/dbraw/zinc/82/39/80/572823980.db2.gz FPFDVGAKKZMLHE-UHFFFAOYSA-N 0 0 194.278 1.679 10 0 ADAERN CS/C=C\C(=O)N[C@@H]1CC[C@H]1C 308140498 572823982 /nfs/dbraw/zinc/82/39/82/572823982.db2.gz GZDLTVVARKVELN-MFOJLJMTSA-N 0 0 185.292 1.778 10 0 ADAERN CN1C(=O)Cc2cc(C=O)cc(F)c21 75120633 572823997 /nfs/dbraw/zinc/82/39/97/572823997.db2.gz HXCIMRZYQHJXNO-UHFFFAOYSA-N 0 0 193.177 1.157 10 0 ADAERN C[C@@H]1COCCc2cn(C)c(C=O)c21 75120795 572824006 /nfs/dbraw/zinc/82/40/06/572824006.db2.gz UWUSHTIQQUFMOW-MRVPVSSYSA-N 0 0 193.246 1.514 10 0 ADAERN CCOCCn1ccc([C@@H](O)CC)c1 85838722 572824032 /nfs/dbraw/zinc/82/40/32/572824032.db2.gz ZRHWKLRGYJDDKO-NSHDSACASA-N 0 0 197.278 1.968 10 0 ADAERN CC(=O)COC(=O)c1csc(C)c1 308144393 572824033 /nfs/dbraw/zinc/82/40/33/572824033.db2.gz KSGDTEVZYSZTKX-UHFFFAOYSA-N 0 0 198.243 1.802 10 0 ADAERN C[C@@H]1C(=O)Nc2c(F)cc(C=O)cc21 75120629 572824040 /nfs/dbraw/zinc/82/40/40/572824040.db2.gz NGBXEGQOAWVQHC-YFKPBYRVSA-N 0 0 193.177 1.694 10 0 ADAERN COC(=O)c1ccc([C@@H](C)OC)o1 85827634 572824046 /nfs/dbraw/zinc/82/40/46/572824046.db2.gz MCOSWNGIRDCFFE-ZCFIWIBFSA-N 0 0 184.191 1.774 10 0 ADAERN Cn1c(C=O)ccc1[C@H]1CCCOC1 75120815 572824047 /nfs/dbraw/zinc/82/40/47/572824047.db2.gz JYANTUWBAWLZDI-VIFPVBQESA-N 0 0 193.246 1.732 10 0 ADAERN NN[C@@H](CC1CCC1)C1=COCC1 308139793 572824048 /nfs/dbraw/zinc/82/40/48/572824048.db2.gz RSIMPIOUSPPFAR-JTQLQIEISA-N 0 0 182.267 1.313 10 0 ADAERN C[C@H](O)c1ccn(CCCCO)c1 85834563 572824062 /nfs/dbraw/zinc/82/40/62/572824062.db2.gz IIPMVWIJQHJKEW-VIFPVBQESA-N 0 0 183.251 1.314 10 0 ADAERN ONCc1ccc(CC2COC2)cc1 75120735 572824063 /nfs/dbraw/zinc/82/40/63/572824063.db2.gz QOCSRXPWKCSTDM-UHFFFAOYSA-N 0 0 193.246 1.354 10 0 ADAERN CCC(CC)OCOC1(C)C[NH2+]C1 308144461 572824064 /nfs/dbraw/zinc/82/40/64/572824064.db2.gz NCHOZCWLXAQLSK-UHFFFAOYSA-N 0 0 187.283 1.528 10 0 ADAERN CC[C@@H](O)c1ccn(C[C@@H](C)O)c1 85839140 572824183 /nfs/dbraw/zinc/82/41/83/572824183.db2.gz LKPRWJKCGCANRK-PSASIEDQSA-N 0 0 183.251 1.312 10 0 ADAERN Cc1cc(NC2CC[NH+](C)CC2)n[nH]1 75121845 572824150 /nfs/dbraw/zinc/82/41/50/572824150.db2.gz GJJOLGLNWIOHRA-UHFFFAOYSA-N 0 0 194.282 1.224 10 0 ADAERN CCOCCn1ccc([C@H](O)CC)c1 85838725 572824196 /nfs/dbraw/zinc/82/41/96/572824196.db2.gz ZRHWKLRGYJDDKO-LLVKDONJSA-N 0 0 197.278 1.968 10 0 ADAERN CC(C)[C@H](O)c1ccn(C[C@@H](C)O)c1 85843330 572827752 /nfs/dbraw/zinc/82/77/52/572827752.db2.gz YRMNLMDAPWXDAT-KOLCDFICSA-N 0 0 197.278 1.558 10 0 ADAERN COCCn1ccc([C@@H](C)O)c1 85834225 572824280 /nfs/dbraw/zinc/82/42/80/572824280.db2.gz HROKOWABHZJOKF-MRVPVSSYSA-N 0 0 169.224 1.188 10 0 ADAERN CC[C@@H](O)c1ccn(COC)c1 85838941 572824285 /nfs/dbraw/zinc/82/42/85/572824285.db2.gz NBDOKGLHDBNZFV-SECBINFHSA-N 0 0 169.224 1.535 10 0 ADAERN CC[C@H](C)CS(=O)(=O)NC1CC1 307950254 572824290 /nfs/dbraw/zinc/82/42/90/572824290.db2.gz NOEXDOQAAYGLAI-ZETCQYMHSA-N 0 0 191.296 1.114 10 0 ADAERN Nc1c[nH]c([C@H]2CCC[S@](=O)C2)c1 75124648 572824308 /nfs/dbraw/zinc/82/43/08/572824308.db2.gz JIJIGLUHLNOPJR-WPPNPWJKSA-N 0 0 198.291 1.223 10 0 ADAERN CCC(CC)CCNC(=S)NC 307951299 572827767 /nfs/dbraw/zinc/82/77/67/572827767.db2.gz OHDUXWQFOMLJED-UHFFFAOYSA-N 0 0 188.340 1.907 10 0 ADAERN CN1CCC(=O)[C@H](Cc2ccco2)C1 75120927 572824390 /nfs/dbraw/zinc/82/43/90/572824390.db2.gz JMODETPKMAYWJF-SECBINFHSA-N 0 0 193.246 1.343 10 0 ADAERN COc1nc(C(C)C)nc(C)c1C=O 75121526 572824420 /nfs/dbraw/zinc/82/44/20/572824420.db2.gz RYCBUWIWBPPARF-UHFFFAOYSA-N 0 0 194.234 1.730 10 0 ADAERN CCC(=O)c1ccn(CCO)c1 85838487 572824426 /nfs/dbraw/zinc/82/44/26/572824426.db2.gz IITZGBXZSVTFNV-UHFFFAOYSA-N 0 0 167.208 1.073 10 0 ADAERN CCOCn1ccc([C@H](C)O)c1 85834481 572824467 /nfs/dbraw/zinc/82/44/67/572824467.db2.gz XYISANXAXOJCGY-QMMMGPOBSA-N 0 0 169.224 1.535 10 0 ADAERN CC[C@H](O)c1ccn(C[C@H](C)O)c1 85839142 572824501 /nfs/dbraw/zinc/82/45/01/572824501.db2.gz LKPRWJKCGCANRK-WPRPVWTQSA-N 0 0 183.251 1.312 10 0 ADAERN NOCCc1c[nH]c2c(F)cccc12 75121414 572824503 /nfs/dbraw/zinc/82/45/03/572824503.db2.gz KZEQOCILKMULNI-UHFFFAOYSA-N 0 0 194.209 1.740 10 0 ADAERN CCC(=O)c1ccn(C[C@@H](C)O)c1 85838632 572824546 /nfs/dbraw/zinc/82/45/46/572824546.db2.gz FSSYFWMRVMLCRT-MRVPVSSYSA-N 0 0 181.235 1.462 10 0 ADAERN COC1CC(N2CCC(=O)[C@@H](C)C2)C1 234607540 572824549 /nfs/dbraw/zinc/82/45/49/572824549.db2.gz AYWMOWWTJOEALK-IDKOKCKLSA-N 0 0 197.278 1.075 10 0 ADAERN CC[C@@H](O)c1ccn(C[C@H](C)O)c1 85839144 572824558 /nfs/dbraw/zinc/82/45/58/572824558.db2.gz LKPRWJKCGCANRK-WCBMZHEXSA-N 0 0 183.251 1.312 10 0 ADAERN CC[C@@H](O)c1ccn(CCCO)c1 85838749 572824594 /nfs/dbraw/zinc/82/45/94/572824594.db2.gz WKYJVNSYGOXDEG-SNVBAGLBSA-N 0 0 183.251 1.314 10 0 ADAERN Cc1cc2ccccn2c1N 71477137 572824599 /nfs/dbraw/zinc/82/45/99/572824599.db2.gz JWVILWOIQYZYAM-UHFFFAOYSA-N 0 0 146.193 1.830 10 0 ADAERN CCc1ccc(C(=O)NCC(C)=O)o1 85826883 572824634 /nfs/dbraw/zinc/82/46/34/572824634.db2.gz KXTNBDKEXZWUPW-UHFFFAOYSA-N 0 0 195.218 1.161 10 0 ADAERN N=C(Nc1ccccc1)c1cnccn1 238557472 572824642 /nfs/dbraw/zinc/82/46/42/572824642.db2.gz YXHHCPUODDAGJK-UHFFFAOYSA-N 0 0 198.229 1.914 10 0 ADAERN Cc1cc2[nH]c(=O)oc2cc1N 71481988 572824657 /nfs/dbraw/zinc/82/46/57/572824657.db2.gz YVDQZFKTMIYDOK-UHFFFAOYSA-N 0 0 164.164 1.012 10 0 ADAERN C[C@@H](O)c1ccn(CCCCO)c1 85834566 572824658 /nfs/dbraw/zinc/82/46/58/572824658.db2.gz IIPMVWIJQHJKEW-SECBINFHSA-N 0 0 183.251 1.314 10 0 ADAERN COC(=O)CCn1ccc([C@H](C)O)c1 85833853 572824700 /nfs/dbraw/zinc/82/47/00/572824700.db2.gz RUMLZBOIXMOQTH-QMMMGPOBSA-N 0 0 197.234 1.105 10 0 ADAERN CC(C)[C@@H]1CNc2ccnnc2N1C 75120492 572824706 /nfs/dbraw/zinc/82/47/06/572824706.db2.gz AKEIRILQLFTXML-VIFPVBQESA-N 0 0 192.266 1.363 10 0 ADAERN CCOCCCn1cccc1[C@@H](C)O 85833743 572824752 /nfs/dbraw/zinc/82/47/52/572824752.db2.gz ALYYGKTZPABGKV-SNVBAGLBSA-N 0 0 197.278 1.968 10 0 ADAERN C[C@@H]1CC(=O)Nc2ccc(N)cc21 71476988 572824780 /nfs/dbraw/zinc/82/47/80/572824780.db2.gz VCFPZFBRRNJCRK-ZCFIWIBFSA-N 0 0 176.219 1.715 10 0 ADAERN CC(=O)CCOC(=O)[C@H]1C[C@@H]1C 307950032 572824781 /nfs/dbraw/zinc/82/47/81/572824781.db2.gz NHDSGMZECGXGGH-XPUUQOCRSA-N 0 0 170.208 1.165 10 0 ADAERN CC[C@H](O)c1ccn(CCCO)c1 85838746 572824800 /nfs/dbraw/zinc/82/48/00/572824800.db2.gz WKYJVNSYGOXDEG-JTQLQIEISA-N 0 0 183.251 1.314 10 0 ADAERN NC(=O)c1cccc(NCCCF)c1 236242672 572824804 /nfs/dbraw/zinc/82/48/04/572824804.db2.gz KXYDVODFXUQSIS-UHFFFAOYSA-N 0 0 196.225 1.557 10 0 ADAERN Cc1ccc([C@H](CO)[NH2+]C(C)C)cn1 162335015 572824858 /nfs/dbraw/zinc/82/48/58/572824858.db2.gz NVBSCRLDCHHBTO-NSHDSACASA-N 0 0 194.278 1.421 10 0 ADAERN CCC(=O)c1ccn(COC)c1 85838455 572824881 /nfs/dbraw/zinc/82/48/81/572824881.db2.gz GHNDYOZYSUWSMM-UHFFFAOYSA-N 0 0 167.208 1.685 10 0 ADAERN COCC(=O)O[C@@]1(C)CCSC1 308141482 572824886 /nfs/dbraw/zinc/82/48/86/572824886.db2.gz HPVHECBFJHQAGE-QMMMGPOBSA-N 0 0 190.264 1.072 10 0 ADAERN CCC[C@H](O)c1ccn(CCO)c1 85841507 572826365 /nfs/dbraw/zinc/82/63/65/572826365.db2.gz NXXHYXAXEYALRU-JTQLQIEISA-N 0 0 183.251 1.314 10 0 ADAERN C[C@@H]1COc2cccc(N)c2N1 71477288 572824932 /nfs/dbraw/zinc/82/49/32/572824932.db2.gz UWVQQVCJVXHQHI-ZCFIWIBFSA-N 0 0 164.208 1.462 10 0 ADAERN CC/C=C\CCn1occc1=O 307949946 572824955 /nfs/dbraw/zinc/82/49/55/572824955.db2.gz NCSMXAGJCYUHKX-ARJAWSKDSA-N 0 0 167.208 1.798 10 0 ADAERN C[C@H]1COc2cccc(N)c2N1 71477289 572824993 /nfs/dbraw/zinc/82/49/93/572824993.db2.gz UWVQQVCJVXHQHI-LURJTMIESA-N 0 0 164.208 1.462 10 0 ADAERN CCc1cc(N)c2c(c1)CC(=O)N2 71482937 572824997 /nfs/dbraw/zinc/82/49/97/572824997.db2.gz ZHYVFUAGOHVAAM-UHFFFAOYSA-N 0 0 176.219 1.326 10 0 ADAERN CC[N@H+](C)[C@@H](C)c1ccc(C(=O)[O-])o1 85828033 572825016 /nfs/dbraw/zinc/82/50/16/572825016.db2.gz LZQJTPLBSGOTCS-ZETCQYMHSA-N 0 0 197.234 1.991 10 0 ADAERN CCOC(=O)Cn1ccc([C@@H](C)O)c1 85834316 572825032 /nfs/dbraw/zinc/82/50/32/572825032.db2.gz KJNLPRFKNITRGI-MRVPVSSYSA-N 0 0 197.234 1.105 10 0 ADAERN CC(C)(CO)c1ccccc1N 71478687 572825033 /nfs/dbraw/zinc/82/50/33/572825033.db2.gz XAAXHYSGURJNIR-UHFFFAOYSA-N 0 0 165.236 1.539 10 0 ADAERN NC(=O)C=C1NCCC2=C1CCCC2 238574475 572825045 /nfs/dbraw/zinc/82/50/45/572825045.db2.gz MZKZFXCLGPGVQI-YFHOEESVSA-N 0 0 192.262 1.220 10 0 ADAERN CSCCNC(=O)C[C@H]1C[C@H]1C 308141471 572825046 /nfs/dbraw/zinc/82/50/46/572825046.db2.gz HPEJQRIHSJFCQQ-HTQZYQBOSA-N 0 0 187.308 1.512 10 0 ADAERN CC(C)OCCn1ccc([C@@H](C)O)c1 85834044 572825080 /nfs/dbraw/zinc/82/50/80/572825080.db2.gz ZJROKVBHYLTNPC-SNVBAGLBSA-N 0 0 197.278 1.966 10 0 ADAERN CCOC(=O)Cn1ccc([C@H](C)O)c1 85834319 572825112 /nfs/dbraw/zinc/82/51/12/572825112.db2.gz KJNLPRFKNITRGI-QMMMGPOBSA-N 0 0 197.234 1.105 10 0 ADAERN Cn1c(C=O)cc2c3c[nH]ccc-3nc21 75124859 572825132 /nfs/dbraw/zinc/82/51/32/572825132.db2.gz LPLOCJZOHFCSMI-UHFFFAOYSA-N 0 0 199.213 1.867 10 0 ADAERN CCNC(=S)NOC[C@@H](C)CC 307949931 572825147 /nfs/dbraw/zinc/82/51/47/572825147.db2.gz NBKHCJIIDYLSDJ-ZETCQYMHSA-N 0 0 190.312 1.448 10 0 ADAERN C[C@H](O)c1ccn(CCCCCO)c1 85833950 572825156 /nfs/dbraw/zinc/82/51/56/572825156.db2.gz POIRICZBFQSHHS-JTQLQIEISA-N 0 0 197.278 1.704 10 0 ADAERN C[C@H]1COc2cc(N)ccc2N1 71477283 572825157 /nfs/dbraw/zinc/82/51/57/572825157.db2.gz KQCPMLJLAVCUOF-LURJTMIESA-N 0 0 164.208 1.462 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1ccc(CF)cc1 214005515 572825168 /nfs/dbraw/zinc/82/51/68/572825168.db2.gz HBPASSOXENWMIF-SECBINFHSA-N 0 0 197.209 1.631 10 0 ADAERN CCC(=O)c1ccn(C[C@H](C)O)c1 85838635 572825200 /nfs/dbraw/zinc/82/52/00/572825200.db2.gz FSSYFWMRVMLCRT-QMMMGPOBSA-N 0 0 181.235 1.462 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)/C=C\C1CC1 307950042 572825207 /nfs/dbraw/zinc/82/52/07/572825207.db2.gz NHQJAXKBHYMHHC-NRTJZSHXSA-N 0 0 165.236 1.477 10 0 ADAERN [NH3+]CCCCCCCNC([O-])=S 238558110 572825228 /nfs/dbraw/zinc/82/52/28/572825228.db2.gz NMQVUBAGHFBMCA-UHFFFAOYSA-N 0 0 190.312 1.328 10 0 ADAERN Cc1cc2c(c(F)c1F)[C@H]([NH3+])COC2 713761660 572825242 /nfs/dbraw/zinc/82/52/42/572825242.db2.gz IPBQQULDOWNSQD-SSDOTTSWSA-N 0 0 199.200 1.803 10 0 ADAERN CCC(=O)c1ccn(CC(=O)OC)c1 85838553 572825246 /nfs/dbraw/zinc/82/52/46/572825246.db2.gz JUXBNVOYMSOCQF-UHFFFAOYSA-N 0 0 195.218 1.254 10 0 ADAERN CC[C@H](COC)Nn1cccc1 85828253 572825272 /nfs/dbraw/zinc/82/52/72/572825272.db2.gz KZNARDVVANCPDG-SECBINFHSA-N 0 0 168.240 1.457 10 0 ADAERN Nc1c(C=O)c2cccccc-2c1C=O 238575752 572825274 /nfs/dbraw/zinc/82/52/74/572825274.db2.gz QIAQBQBWVQPTBO-UHFFFAOYSA-N 0 0 199.209 1.999 10 0 ADAERN OCCCNc1cc(F)cc(F)c1 49933732 572825298 /nfs/dbraw/zinc/82/52/98/572825298.db2.gz IUJYEBXOUILUMD-UHFFFAOYSA-N 0 0 187.189 1.759 10 0 ADAERN CC[N@H+](C)[C@H](C)c1ccc(C(=O)[O-])o1 85828034 572825332 /nfs/dbraw/zinc/82/53/32/572825332.db2.gz LZQJTPLBSGOTCS-SSDOTTSWSA-N 0 0 197.234 1.991 10 0 ADAERN COCCCn1ccc([C@@H](C)O)c1 85833939 572825345 /nfs/dbraw/zinc/82/53/45/572825345.db2.gz VUAWHPNJUMXCRS-SECBINFHSA-N 0 0 183.251 1.578 10 0 ADAERN CCOCCCn1cccc1[C@H](C)O 85833746 572825350 /nfs/dbraw/zinc/82/53/50/572825350.db2.gz ALYYGKTZPABGKV-JTQLQIEISA-N 0 0 197.278 1.968 10 0 ADAERN Cc1cccc(N(C)C)c1CO 198947193 572825368 /nfs/dbraw/zinc/82/53/68/572825368.db2.gz ONZACYSMFMMTAM-UHFFFAOYSA-N 0 0 165.236 1.553 10 0 ADAERN COCCn1ccc([C@H](C)O)c1 85834222 572825379 /nfs/dbraw/zinc/82/53/79/572825379.db2.gz HROKOWABHZJOKF-QMMMGPOBSA-N 0 0 169.224 1.188 10 0 ADAERN C[N@@H+]1CC[C@@H](CC(=O)[O-])C(C)(C)CC1 75125205 572825383 /nfs/dbraw/zinc/82/53/83/572825383.db2.gz YGSCPBOUYKEKLM-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@H](O)c1ccn(CCCOC)c1 85838898 572825405 /nfs/dbraw/zinc/82/54/05/572825405.db2.gz HGDBLCARUVUJEO-NSHDSACASA-N 0 0 197.278 1.968 10 0 ADAERN COC(=O)/C(C)=C\c1ccccc1O 198886370 572825416 /nfs/dbraw/zinc/82/54/16/572825416.db2.gz OLWBRLBZNDPASY-FPLPWBNLSA-N 0 0 192.214 1.969 10 0 ADAERN O[C@@H](C[NH2+][C@@H]1C=CCCC1)C(F)F 236531677 572825426 /nfs/dbraw/zinc/82/54/26/572825426.db2.gz WHALELKIJATEDY-SFYZADRCSA-N 0 0 191.221 1.311 10 0 ADAERN CCONC(=O)CCCC1CC1 308141520 572827731 /nfs/dbraw/zinc/82/77/31/572827731.db2.gz HRMQFAHNIOPTDN-UHFFFAOYSA-N 0 0 171.240 1.634 10 0 ADAERN CC(C)OCCC(=O)OC1CCC1 308141296 572825475 /nfs/dbraw/zinc/82/54/75/572825475.db2.gz IQQFIMHNBGDXFE-UHFFFAOYSA-N 0 0 186.251 1.897 10 0 ADAERN N=C(Nc1ccccc1)c1ccncn1 238557364 572825504 /nfs/dbraw/zinc/82/55/04/572825504.db2.gz OPZMSMPYKHNNCR-UHFFFAOYSA-N 0 0 198.229 1.914 10 0 ADAERN CCOCCn1ccc([C@H](C)O)c1 85833822 572825512 /nfs/dbraw/zinc/82/55/12/572825512.db2.gz PKEFQUIWMZXPSP-VIFPVBQESA-N 0 0 183.251 1.578 10 0 ADAERN CC[C@@H](O)c1ccn(CCOC)c1 85839103 572825631 /nfs/dbraw/zinc/82/56/31/572825631.db2.gz OYEKFYHICBQFSH-SNVBAGLBSA-N 0 0 183.251 1.578 10 0 ADAERN CC[C@H](O)c1ccn(COC)c1 85838939 572825641 /nfs/dbraw/zinc/82/56/41/572825641.db2.gz NBDOKGLHDBNZFV-VIFPVBQESA-N 0 0 169.224 1.535 10 0 ADAERN CCC(=O)c1ccn(CCCO)c1 85838346 572825647 /nfs/dbraw/zinc/82/56/47/572825647.db2.gz RLYHJIJZEJPJGS-UHFFFAOYSA-N 0 0 181.235 1.463 10 0 ADAERN CCC(=O)OC[C@]1(F)CCOC1 307950070 572825648 /nfs/dbraw/zinc/82/56/48/572825648.db2.gz NJJZIHXVJGPKOX-QMMMGPOBSA-N 0 0 176.187 1.068 10 0 ADAERN CCOCCCn1ccc([C@@H](C)O)c1 85834623 572825667 /nfs/dbraw/zinc/82/56/67/572825667.db2.gz YRLMBLJFHPYRIY-SNVBAGLBSA-N 0 0 197.278 1.968 10 0 ADAERN Cn1c(C=O)cc2c3ncccc3[nH]c21 75124869 572826673 /nfs/dbraw/zinc/82/66/73/572826673.db2.gz REVJGRZMYFBJJJ-UHFFFAOYSA-N 0 0 199.213 1.867 10 0 ADAERN CCC(=O)OC[C@@]1(F)CCOC1 307950068 572825707 /nfs/dbraw/zinc/82/57/07/572825707.db2.gz NJJZIHXVJGPKOX-MRVPVSSYSA-N 0 0 176.187 1.068 10 0 ADAERN C[C@H]1C[C@H]1CC(=O)CCCO 118205699 572825721 /nfs/dbraw/zinc/82/57/21/572825721.db2.gz ZMXLBRXUWBKDGJ-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)CCN2 71479976 572825723 /nfs/dbraw/zinc/82/57/23/572825723.db2.gz TZHKTXNGAYSUTR-JTQLQIEISA-N 0 0 163.220 1.844 10 0 ADAERN COCC(=O)O[C@]1(C)CCSC1 308141481 572825732 /nfs/dbraw/zinc/82/57/32/572825732.db2.gz HPVHECBFJHQAGE-MRVPVSSYSA-N 0 0 190.264 1.072 10 0 ADAERN C[C@H]1C[C@@H]1CC(=O)CCCO 118205695 572825747 /nfs/dbraw/zinc/82/57/47/572825747.db2.gz ZMXLBRXUWBKDGJ-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN C/C(=C\[C@H](C)O)c1ccnn1C 307950210 572825774 /nfs/dbraw/zinc/82/57/74/572825774.db2.gz SIEZRGFNCDSOPZ-CZEYKFRCSA-N 0 0 166.224 1.204 10 0 ADAERN COC(=O)c1ccc([C@H](C)OC)o1 85827632 572825775 /nfs/dbraw/zinc/82/57/75/572825775.db2.gz MCOSWNGIRDCFFE-LURJTMIESA-N 0 0 184.191 1.774 10 0 ADAERN CCOCCn1ccc([C@@H](C)O)c1 85833820 572825787 /nfs/dbraw/zinc/82/57/87/572825787.db2.gz PKEFQUIWMZXPSP-SECBINFHSA-N 0 0 183.251 1.578 10 0 ADAERN COC(=O)CCn1ccc([C@@H](C)O)c1 85833854 572825800 /nfs/dbraw/zinc/82/58/00/572825800.db2.gz RUMLZBOIXMOQTH-MRVPVSSYSA-N 0 0 197.234 1.105 10 0 ADAERN CC/C=C/CCn1occc1=O 307949947 572825809 /nfs/dbraw/zinc/82/58/09/572825809.db2.gz NCSMXAGJCYUHKX-ONEGZZNKSA-N 0 0 167.208 1.798 10 0 ADAERN CC[C@H](O)c1ccn(CCOC)c1 85839100 572825813 /nfs/dbraw/zinc/82/58/13/572825813.db2.gz OYEKFYHICBQFSH-JTQLQIEISA-N 0 0 183.251 1.578 10 0 ADAERN CN(C)c1cccc2c1OCCN2 71477317 572825821 /nfs/dbraw/zinc/82/58/21/572825821.db2.gz QZAXIZJYLFRHHA-UHFFFAOYSA-N 0 0 178.235 1.557 10 0 ADAERN CCNC(=S)NOC[C@H](C)CC 307949929 572825845 /nfs/dbraw/zinc/82/58/45/572825845.db2.gz NBKHCJIIDYLSDJ-SSDOTTSWSA-N 0 0 190.312 1.448 10 0 ADAERN CCC(=O)N1CC[C@@H](CSC)C1 307950292 572825942 /nfs/dbraw/zinc/82/59/42/572825942.db2.gz NREBKUWVTXQFSI-MRVPVSSYSA-N 0 0 187.308 1.608 10 0 ADAERN CC(C)c1cc(N)c2c(c1)CC(=O)N2 71482939 572825926 /nfs/dbraw/zinc/82/59/26/572825926.db2.gz ZDXYWFIRMMOHFD-UHFFFAOYSA-N 0 0 190.246 1.887 10 0 ADAERN CCc1cc(N)c2c(c1)CC(=O)N2C 71482951 572825933 /nfs/dbraw/zinc/82/59/33/572825933.db2.gz QKEAPAUGUUYWGI-UHFFFAOYSA-N 0 0 190.246 1.350 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)CCC(F)(F)F 236537437 572825944 /nfs/dbraw/zinc/82/59/44/572825944.db2.gz GLDBFUODCZHEBP-RQJHMYQMSA-N 0 0 198.184 1.461 10 0 ADAERN O[C@H]1CCNc2c(F)cccc21 71479881 572825979 /nfs/dbraw/zinc/82/59/79/572825979.db2.gz MLEUTQGDPLBZJO-QMMMGPOBSA-N 0 0 167.183 1.675 10 0 ADAERN CSCCNC(=O)C[C@@H]1C[C@@H]1C 308141474 572825989 /nfs/dbraw/zinc/82/59/89/572825989.db2.gz HPEJQRIHSJFCQQ-YUMQZZPRSA-N 0 0 187.308 1.512 10 0 ADAERN CC(C)CONC(=O)C1CC(C)C1 308141761 572827741 /nfs/dbraw/zinc/82/77/41/572827741.db2.gz JBLUKVMUXIILTQ-UHFFFAOYSA-N 0 0 185.267 1.736 10 0 ADAERN O[C@H](CCC(F)(F)F)[C@H](O)C1CC1 236537574 572826029 /nfs/dbraw/zinc/82/60/29/572826029.db2.gz GLDBFUODCZHEBP-RNFRBKRXSA-N 0 0 198.184 1.461 10 0 ADAERN C[C@H]1CC(=O)Nc2ccc(N)cc21 71476991 572826051 /nfs/dbraw/zinc/82/60/51/572826051.db2.gz VCFPZFBRRNJCRK-LURJTMIESA-N 0 0 176.219 1.715 10 0 ADAERN O[C@H]1CCNc2ccc(F)cc21 71479992 572826063 /nfs/dbraw/zinc/82/60/63/572826063.db2.gz OCAQGCCAKWAPPA-VIFPVBQESA-N 0 0 167.183 1.675 10 0 ADAERN Cn1c(C=O)cc2c3ccncc3[nH]c21 75124865 572826083 /nfs/dbraw/zinc/82/60/83/572826083.db2.gz LHUZYFUQBYXWCE-UHFFFAOYSA-N 0 0 199.213 1.867 10 0 ADAERN CC1CN(C(=O)C[C@H](C)C2CC2)C1 308141335 572826107 /nfs/dbraw/zinc/82/61/07/572826107.db2.gz ITEAIKYFXZDQPH-VIFPVBQESA-N 0 0 181.279 1.901 10 0 ADAERN Cc1ccc2c(c1)[C@H](CCO)CN2 71486816 572827743 /nfs/dbraw/zinc/82/77/43/572827743.db2.gz GEMWUKRYOYLKBA-SECBINFHSA-N 0 0 177.247 1.887 10 0 ADAERN Cc1ccc2c(c1)NCC[C@H]2O 71479930 572826114 /nfs/dbraw/zinc/82/61/14/572826114.db2.gz LCROLJWTBOIXIG-SNVBAGLBSA-N 0 0 163.220 1.844 10 0 ADAERN Cn1c2cccnc2c2cc(C=O)[nH]c21 75124873 572826123 /nfs/dbraw/zinc/82/61/23/572826123.db2.gz QYNDFMQUAAWVBB-UHFFFAOYSA-N 0 0 199.213 1.867 10 0 ADAERN CCOc1ccc(F)cc1C(N)=O 71464764 572826126 /nfs/dbraw/zinc/82/61/26/572826126.db2.gz QRBYJPJLVDRGOJ-UHFFFAOYSA-N 0 0 183.182 1.323 10 0 ADAERN O=C(CCSC(F)F)NC1CC1 308141034 572826168 /nfs/dbraw/zinc/82/61/68/572826168.db2.gz HIVRCLNJCUIIHU-UHFFFAOYSA-N 0 0 195.234 1.611 10 0 ADAERN Cc1csc2cnc(C[NH3+])n12 71478883 572826187 /nfs/dbraw/zinc/82/61/87/572826187.db2.gz WBNPRRDGYMDDPG-UHFFFAOYSA-N 0 0 167.237 1.163 10 0 ADAERN CC[N@@H+]1CCC[C@@H]([C@@H](C)CC(=O)[O-])C1 87972933 572826226 /nfs/dbraw/zinc/82/62/26/572826226.db2.gz DWKFOOZBYLXXCV-VHSXEESVSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1ccc2c(c1)NCC[C@@H]2O 71479929 572826234 /nfs/dbraw/zinc/82/62/34/572826234.db2.gz LCROLJWTBOIXIG-JTQLQIEISA-N 0 0 163.220 1.844 10 0 ADAERN COC(OC)[C@@H](C)Nn1cccc1 85828967 572826250 /nfs/dbraw/zinc/82/62/50/572826250.db2.gz OGKKAXYXRMUDHI-MRVPVSSYSA-N 0 0 184.239 1.039 10 0 ADAERN Cc1cc2c(cc1N)oc(=O)n2C 71481996 572826304 /nfs/dbraw/zinc/82/63/04/572826304.db2.gz RDGVKJIGVQCLAD-UHFFFAOYSA-N 0 0 178.191 1.022 10 0 ADAERN COCn1ccc(C(=O)C2CC2)c1 85844542 572826311 /nfs/dbraw/zinc/82/63/11/572826311.db2.gz FGOVQGYPYVCBAA-UHFFFAOYSA-N 0 0 179.219 1.685 10 0 ADAERN C[C@@H](O)Cn1ccc([C@@H](O)C2CC2)c1 85845011 572826323 /nfs/dbraw/zinc/82/63/23/572826323.db2.gz RREHWSOKWQRONJ-KCJUWKMLSA-N 0 0 195.262 1.312 10 0 ADAERN O[C@@H]1CCNc2ccc(F)cc21 71479991 572826335 /nfs/dbraw/zinc/82/63/35/572826335.db2.gz OCAQGCCAKWAPPA-SECBINFHSA-N 0 0 167.183 1.675 10 0 ADAERN COCC[C@@H](C)Nn1cccc1 85828914 572826357 /nfs/dbraw/zinc/82/63/57/572826357.db2.gz ZMHLYMMTAOQEBV-SECBINFHSA-N 0 0 168.240 1.457 10 0 ADAERN OCCCn1ccc([C@H](O)C2CC2)c1 85844718 572826376 /nfs/dbraw/zinc/82/63/76/572826376.db2.gz OQYBEBMFLJGYBC-LLVKDONJSA-N 0 0 195.262 1.314 10 0 ADAERN C[N@@H+]1CCC(C)(C)CC[C@H]1CC(=O)[O-] 75125199 572826382 /nfs/dbraw/zinc/82/63/82/572826382.db2.gz DVESLOOGIOUASY-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H](O)Cn1ccc([C@@H](O)C2CC2)c1 85845008 572826437 /nfs/dbraw/zinc/82/64/37/572826437.db2.gz RREHWSOKWQRONJ-KWQFWETISA-N 0 0 195.262 1.312 10 0 ADAERN Cc1cccc2c1NCC[C@@H]2O 71479865 572826472 /nfs/dbraw/zinc/82/64/72/572826472.db2.gz RDQSIQVMEXNCTP-VIFPVBQESA-N 0 0 163.220 1.844 10 0 ADAERN CCC[C@@H](O)c1ccn(C[C@@H](C)O)c1 85841549 572826482 /nfs/dbraw/zinc/82/64/82/572826482.db2.gz UOEPZPBUHIPMAI-MWLCHTKSSA-N 0 0 197.278 1.702 10 0 ADAERN Cc1cc(N)c2c(c1)CC(=O)N2C 71482944 572826507 /nfs/dbraw/zinc/82/65/07/572826507.db2.gz PKTYTYOGEIHJIH-UHFFFAOYSA-N 0 0 176.219 1.096 10 0 ADAERN [NH3+][C@H]1CC(=O)c2c1ccc([O-])c2Cl 713762214 572827788 /nfs/dbraw/zinc/82/77/88/572827788.db2.gz KMPJUCWOMJYJIO-YFKPBYRVSA-N 0 0 197.621 1.632 10 0 ADAERN CC(C)[C@H](O)c1ccn(C[C@H](C)O)c1 85843339 572826654 /nfs/dbraw/zinc/82/66/54/572826654.db2.gz YRMNLMDAPWXDAT-ONGXEEELSA-N 0 0 197.278 1.558 10 0 ADAERN CN1CCC(C)(C)CC(=O)[C@H]1CCO 75125192 572826700 /nfs/dbraw/zinc/82/67/00/572826700.db2.gz MNFLDSNTGNLQRH-SECBINFHSA-N 0 0 199.294 1.058 10 0 ADAERN Cn1c2cnccc2c2cc(C=O)[nH]c21 75124868 572827799 /nfs/dbraw/zinc/82/77/99/572827799.db2.gz SVFHXYMLEZZPQW-UHFFFAOYSA-N 0 0 199.213 1.867 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2c1ccc([O-])c2Cl 713762210 572826756 /nfs/dbraw/zinc/82/67/56/572826756.db2.gz KMPJUCWOMJYJIO-RXMQYKEDSA-N 0 0 197.621 1.632 10 0 ADAERN N=C(Nc1ccccc1)c1ncccn1 238557549 572826794 /nfs/dbraw/zinc/82/67/94/572826794.db2.gz BXFQNDTXBUBEFQ-UHFFFAOYSA-N 0 0 198.229 1.914 10 0 ADAERN CCCC(=O)c1ccn(C[C@@H](C)O)c1 85841191 572826800 /nfs/dbraw/zinc/82/68/00/572826800.db2.gz NULHGBVLMOWWOP-SECBINFHSA-N 0 0 195.262 1.852 10 0 ADAERN CCCCCOc1cc[nH]c(=O)c1 118230284 572826806 /nfs/dbraw/zinc/82/68/06/572826806.db2.gz NTEUSYGAWDNNGK-UHFFFAOYSA-N 0 0 181.235 1.944 10 0 ADAERN CC(=O)c1cnnn1CCCCF 308140852 572826840 /nfs/dbraw/zinc/82/68/40/572826840.db2.gz LDXDTCAIJAKUIL-UHFFFAOYSA-N 0 0 185.202 1.230 10 0 ADAERN CC/C=C/C(=O)NCC(F)(F)F 307950668 572826855 /nfs/dbraw/zinc/82/68/55/572826855.db2.gz NVXFDHXVXFDVDS-ONEGZZNKSA-N 0 0 181.157 1.631 10 0 ADAERN Cc1cccc2c1NCC[C@H]2O 71479866 572826861 /nfs/dbraw/zinc/82/68/61/572826861.db2.gz RDQSIQVMEXNCTP-SECBINFHSA-N 0 0 163.220 1.844 10 0 ADAERN N=C(Nc1ccccc1)c1cccnn1 238557320 572826880 /nfs/dbraw/zinc/82/68/80/572826880.db2.gz VSOXZBCCJRXVIN-UHFFFAOYSA-N 0 0 198.229 1.914 10 0 ADAERN Cn1cc(C=O)c2nc3ccccn3c21 75124878 572826895 /nfs/dbraw/zinc/82/68/95/572826895.db2.gz YDGFXPCSJXEFSA-UHFFFAOYSA-N 0 0 199.213 1.639 10 0 ADAERN COCCn1ccc([C@H](O)C2CC2)c1 85844972 572826918 /nfs/dbraw/zinc/82/69/18/572826918.db2.gz JBDGSNJVTBJBKW-LLVKDONJSA-N 0 0 195.262 1.578 10 0 ADAERN OCc1ccc(CNn2cccc2)o1 85829469 572826934 /nfs/dbraw/zinc/82/69/34/572826934.db2.gz ROGRWZCMUWXBAW-UHFFFAOYSA-N 0 0 192.218 1.317 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)/C=C\C1CC1 307950040 572826953 /nfs/dbraw/zinc/82/69/53/572826953.db2.gz NHQJAXKBHYMHHC-LEZDYHIDSA-N 0 0 165.236 1.477 10 0 ADAERN CCC[C@H](O)c1ccn(C[C@@H](C)O)c1 85841547 572826984 /nfs/dbraw/zinc/82/69/84/572826984.db2.gz UOEPZPBUHIPMAI-KOLCDFICSA-N 0 0 197.278 1.702 10 0 ADAERN CC[C@@H](C)CS(=O)(=O)NC1CC1 307950253 572827001 /nfs/dbraw/zinc/82/70/01/572827001.db2.gz NOEXDOQAAYGLAI-SSDOTTSWSA-N 0 0 191.296 1.114 10 0 ADAERN CCC(=O)N1CC[C@H](CSC)C1 307950293 572827028 /nfs/dbraw/zinc/82/70/28/572827028.db2.gz NREBKUWVTXQFSI-QMMMGPOBSA-N 0 0 187.308 1.608 10 0 ADAERN CC(C)[C@@H](O)c1ccn(C[C@@H](C)O)c1 85843333 572827096 /nfs/dbraw/zinc/82/70/96/572827096.db2.gz YRMNLMDAPWXDAT-MWLCHTKSSA-N 0 0 197.278 1.558 10 0 ADAERN CC(C)[C@H](NC1COC1)C(F)(F)F 308141338 572827160 /nfs/dbraw/zinc/82/71/60/572827160.db2.gz ITGPFBYCBYMJQH-ZETCQYMHSA-N 0 0 197.200 1.562 10 0 ADAERN C[C@]1(c2ccccc2)CC(=O)CCN1 71485133 572827823 /nfs/dbraw/zinc/82/78/23/572827823.db2.gz PEGXOCOYJFKSIB-GFCCVEGCSA-N 0 0 189.258 1.854 10 0 ADAERN C[C@@H]1COc2cc(N)ccc2N1 71477280 572827174 /nfs/dbraw/zinc/82/71/74/572827174.db2.gz KQCPMLJLAVCUOF-ZCFIWIBFSA-N 0 0 164.208 1.462 10 0 ADAERN CC(C)[C@H](O)c1ccn(CCCO)c1 85843036 572827181 /nfs/dbraw/zinc/82/71/81/572827181.db2.gz VWZPVZGBRNNHPB-NSHDSACASA-N 0 0 197.278 1.560 10 0 ADAERN CSCCCNn1cccc1 85828847 572827184 /nfs/dbraw/zinc/82/71/84/572827184.db2.gz QATIOILJVJTCBU-UHFFFAOYSA-N 0 0 170.281 1.785 10 0 ADAERN CCC[C@@H](O)c1ccn(CCOC)c1 85841528 572827186 /nfs/dbraw/zinc/82/71/86/572827186.db2.gz KUHDITJVQVIVJD-LLVKDONJSA-N 0 0 197.278 1.968 10 0 ADAERN CN1CCC(C)(C)CC(=O)[C@@H]1CCO 75125195 572827201 /nfs/dbraw/zinc/82/72/01/572827201.db2.gz MNFLDSNTGNLQRH-VIFPVBQESA-N 0 0 199.294 1.058 10 0 ADAERN O[C@@H]1CCNc2c(F)cccc21 71479882 572827206 /nfs/dbraw/zinc/82/72/06/572827206.db2.gz MLEUTQGDPLBZJO-MRVPVSSYSA-N 0 0 167.183 1.675 10 0 ADAERN [NH3+][C@]1(CO)CCc2c(F)cc(F)cc21 713761642 572827219 /nfs/dbraw/zinc/82/72/19/572827219.db2.gz IMXLCEKXGVZGIY-JTQLQIEISA-N 0 0 199.200 1.057 10 0 ADAERN CCC[C@@H](O)c1ccn(C[C@H](C)O)c1 85841560 572827246 /nfs/dbraw/zinc/82/72/46/572827246.db2.gz UOEPZPBUHIPMAI-GXSJLCMTSA-N 0 0 197.278 1.702 10 0 ADAERN Cc1cc(N)c2c(c1)CC(=O)N2 71476929 572827250 /nfs/dbraw/zinc/82/72/50/572827250.db2.gz JXYYSVJORQOGHG-UHFFFAOYSA-N 0 0 162.192 1.072 10 0 ADAERN Cc1cn2c(C)c(CO)sc2n1 40438843 572827277 /nfs/dbraw/zinc/82/72/77/572827277.db2.gz QIWGVLQDEHKYQU-UHFFFAOYSA-N 0 0 182.248 1.505 10 0 ADAERN CCn1cncc1CNn1cccc1 85829134 572827308 /nfs/dbraw/zinc/82/73/08/572827308.db2.gz PHGHASFBRZRDLM-UHFFFAOYSA-N 0 0 190.250 1.448 10 0 ADAERN CCC[C@@H](O)c1ccn(COC)c1 85841441 572827314 /nfs/dbraw/zinc/82/73/14/572827314.db2.gz SJMVIXXFUWSELO-SNVBAGLBSA-N 0 0 183.251 1.926 10 0 ADAERN CCC[C@@H](O)c1ccn(CCO)c1 85841510 572827360 /nfs/dbraw/zinc/82/73/60/572827360.db2.gz NXXHYXAXEYALRU-SNVBAGLBSA-N 0 0 183.251 1.314 10 0 ADAERN CCC[C@H](O)c1ccn(COC)c1 85841435 572827386 /nfs/dbraw/zinc/82/73/86/572827386.db2.gz SJMVIXXFUWSELO-JTQLQIEISA-N 0 0 183.251 1.926 10 0 ADAERN Cc1cc2c(c(F)c1F)[C@@H]([NH3+])COC2 713761677 572827421 /nfs/dbraw/zinc/82/74/21/572827421.db2.gz IPBQQULDOWNSQD-ZETCQYMHSA-N 0 0 199.200 1.803 10 0 ADAERN CCOCn1ccc([C@H](O)C2CC2)c1 85845095 572827507 /nfs/dbraw/zinc/82/75/07/572827507.db2.gz KKVHQDVLQROJRV-LLVKDONJSA-N 0 0 195.262 1.926 10 0 ADAERN [NH3+][C@]1(CO)CCc2cc(F)cc(F)c21 713760791 572827522 /nfs/dbraw/zinc/82/75/22/572827522.db2.gz HXGKMJAMPPWQSP-JTQLQIEISA-N 0 0 199.200 1.057 10 0 ADAERN COCCn1ccc([C@@H](O)C2CC2)c1 85844977 572827535 /nfs/dbraw/zinc/82/75/35/572827535.db2.gz JBDGSNJVTBJBKW-NSHDSACASA-N 0 0 195.262 1.578 10 0 ADAERN OCCCn1ccc([C@@H](O)C2CC2)c1 85844722 572827545 /nfs/dbraw/zinc/82/75/45/572827545.db2.gz OQYBEBMFLJGYBC-NSHDSACASA-N 0 0 195.262 1.314 10 0 ADAERN COCCn1ccc(C(=O)C2CC2)c1 85844406 572827554 /nfs/dbraw/zinc/82/75/54/572827554.db2.gz FPSYYQWCGGZKKC-UHFFFAOYSA-N 0 0 193.246 1.727 10 0 ADAERN CCC[C@H](O)c1ccn(CCOC)c1 85841524 572827578 /nfs/dbraw/zinc/82/75/78/572827578.db2.gz KUHDITJVQVIVJD-NSHDSACASA-N 0 0 197.278 1.968 10 0 ADAERN C[N@@H+]1CCC(C)(C)CC[C@@H]1CC(=O)[O-] 75125198 572827605 /nfs/dbraw/zinc/82/76/05/572827605.db2.gz DVESLOOGIOUASY-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)[C@@H](O)c1ccn(CCO)c1 85843282 572827612 /nfs/dbraw/zinc/82/76/12/572827612.db2.gz CMQYUWREIMPLDA-SNVBAGLBSA-N 0 0 183.251 1.170 10 0 ADAERN O[C@@H](Cc1ccccc1)[C@H](O)C1CC1 236538189 572827646 /nfs/dbraw/zinc/82/76/46/572827646.db2.gz SSTIPPCMZSITCO-NWDGAFQWSA-N 0 0 192.258 1.361 10 0 ADAERN COCn1ccc([C@@H](O)C2CC2)c1 85844889 572827647 /nfs/dbraw/zinc/82/76/47/572827647.db2.gz BJSXEHMVJHDPIZ-JTQLQIEISA-N 0 0 181.235 1.535 10 0 ADAERN Cn1c2ncccc2c2cc(C=O)[nH]c21 75124856 572827669 /nfs/dbraw/zinc/82/76/69/572827669.db2.gz DCEYGQAZPFCCHZ-UHFFFAOYSA-N 0 0 199.213 1.867 10 0 ADAERN CC(C)C(=O)c1ccn(C[C@H](C)O)c1 85842919 572828406 /nfs/dbraw/zinc/82/84/06/572828406.db2.gz YBNUVKRGTFLUBI-VIFPVBQESA-N 0 0 195.262 1.708 10 0 ADAERN CC(C)C[C@H](C)[C@@H](O)[C@@H](O)C1CC1 308142054 572828041 /nfs/dbraw/zinc/82/80/41/572828041.db2.gz LUYXZHSNEZNOGK-GDPRMGEGSA-N 0 0 186.295 1.800 10 0 ADAERN CCCCCC1(O)COCCOC1 308142017 572828606 /nfs/dbraw/zinc/82/86/06/572828606.db2.gz LSJITZSZRYJOCW-UHFFFAOYSA-N 0 0 188.267 1.345 10 0 ADAERN C[N@@H+]1CCC(C)(C)C[C@H](CC(=O)[O-])C1 75125210 572828078 /nfs/dbraw/zinc/82/80/78/572828078.db2.gz DALIPWRVJWEUMK-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN COC(OC)[C@H](C)Nn1cccc1 85828964 572828083 /nfs/dbraw/zinc/82/80/83/572828083.db2.gz OGKKAXYXRMUDHI-QMMMGPOBSA-N 0 0 184.239 1.039 10 0 ADAERN O[C@@H](Cc1ccccc1)[C@@H](O)C1CC1 236537982 572828086 /nfs/dbraw/zinc/82/80/86/572828086.db2.gz SSTIPPCMZSITCO-RYUDHWBXSA-N 0 0 192.258 1.361 10 0 ADAERN C[C@@H](CO)CS[C@@H](C)C(C)(C)O 307951326 572828087 /nfs/dbraw/zinc/82/80/87/572828087.db2.gz OINPWOHMGHOOLM-YUMQZZPRSA-N 0 0 192.324 1.507 10 0 ADAERN CC[C@H](O)c1ccn(CCCCO)c1 85839307 572828100 /nfs/dbraw/zinc/82/81/00/572828100.db2.gz KXXNQICNCZUNRB-NSHDSACASA-N 0 0 197.278 1.704 10 0 ADAERN CCc1cccc2c1NC[C@H]2CO 71486783 572828105 /nfs/dbraw/zinc/82/81/05/572828105.db2.gz XGZSVPAAGAWCTR-VIFPVBQESA-N 0 0 177.247 1.750 10 0 ADAERN COCC[C@H](C)Nn1cccc1 85828913 572828203 /nfs/dbraw/zinc/82/82/03/572828203.db2.gz ZMHLYMMTAOQEBV-VIFPVBQESA-N 0 0 168.240 1.457 10 0 ADAERN CC(C)[C@H](O)c1ccn(CCO)c1 85843280 572828253 /nfs/dbraw/zinc/82/82/53/572828253.db2.gz CMQYUWREIMPLDA-JTQLQIEISA-N 0 0 183.251 1.170 10 0 ADAERN CC(C)c1nc2cc(N)cnc2o1 71485551 572828262 /nfs/dbraw/zinc/82/82/62/572828262.db2.gz OPFBABVTOFTAJR-UHFFFAOYSA-N 0 0 177.207 1.928 10 0 ADAERN OC[C@@H]1CNc2c(F)cccc21 71486791 572828295 /nfs/dbraw/zinc/82/82/95/572828295.db2.gz PLQOCOQYMHMERY-LURJTMIESA-N 0 0 167.183 1.327 10 0 ADAERN C[C@H](CC(F)F)NCc1cocn1 308142084 572828620 /nfs/dbraw/zinc/82/86/20/572828620.db2.gz JJGDIMPXHMEEST-ZCFIWIBFSA-N 0 0 190.193 1.808 10 0 ADAERN O=C([O-])[C@@]1(CCCCF)CC[NH2+]C1 308141987 572828312 /nfs/dbraw/zinc/82/83/12/572828312.db2.gz LRNJDLRUZXAZRT-VIFPVBQESA-N 0 0 189.230 1.191 10 0 ADAERN O=C(c1ccn(CCO)c1)C1CC1 85844462 572828328 /nfs/dbraw/zinc/82/83/28/572828328.db2.gz VJWJIMICMKOADD-UHFFFAOYSA-N 0 0 179.219 1.073 10 0 ADAERN OC[C@H]1CNc2ccc(F)cc21 71486749 572828343 /nfs/dbraw/zinc/82/83/43/572828343.db2.gz QEMUFNKDCFVBBD-ZCFIWIBFSA-N 0 0 167.183 1.327 10 0 ADAERN COCCn1ccc(C(=O)C(C)C)c1 85842722 572828351 /nfs/dbraw/zinc/82/83/51/572828351.db2.gz QSCPTDSONKCHGQ-UHFFFAOYSA-N 0 0 195.262 1.973 10 0 ADAERN CC(C)C[N@H+](C)C1(C(=O)[O-])CCC1 308141547 572828354 /nfs/dbraw/zinc/82/83/54/572828354.db2.gz UGZWSEOYPUAUNX-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H]1[C@H](C[C@@H](C)O)C(=O)C[C@@H](C)N1C 75125189 572828403 /nfs/dbraw/zinc/82/84/03/572828403.db2.gz LBDCNHUNPPPNHP-IMSYWVGJSA-N 0 0 199.294 1.055 10 0 ADAERN CCONC(=O)CC(CC)CC 308141979 572828423 /nfs/dbraw/zinc/82/84/23/572828423.db2.gz HYYPHMQIKXTTCV-UHFFFAOYSA-N 0 0 173.256 1.880 10 0 ADAERN CCC[C@@H](O)c1ccn(CCCO)c1 85841275 572828453 /nfs/dbraw/zinc/82/84/53/572828453.db2.gz VGUFDEPXIFVTAB-LLVKDONJSA-N 0 0 197.278 1.704 10 0 ADAERN C[C@@H](CO)CS[C@H](C)C(C)(C)O 307951324 572828456 /nfs/dbraw/zinc/82/84/56/572828456.db2.gz OINPWOHMGHOOLM-JGVFFNPUSA-N 0 0 192.324 1.507 10 0 ADAERN CC(C)[C@@H](O)c1ccn(CCCO)c1 85843040 572828629 /nfs/dbraw/zinc/82/86/29/572828629.db2.gz VWZPVZGBRNNHPB-LLVKDONJSA-N 0 0 197.278 1.560 10 0 ADAERN CC(C)C(=O)c1ccn(C[C@@H](C)O)c1 85842915 572828494 /nfs/dbraw/zinc/82/84/94/572828494.db2.gz YBNUVKRGTFLUBI-SECBINFHSA-N 0 0 195.262 1.708 10 0 ADAERN Cn1c(C=O)cc2c3cccnc3[nH]c21 75124853 572828511 /nfs/dbraw/zinc/82/85/11/572828511.db2.gz WXWOJDXDYLMQLO-UHFFFAOYSA-N 0 0 199.213 1.867 10 0 ADAERN C[C@@H]1C[C@@H]1CC(=O)CCCO 118205692 572828544 /nfs/dbraw/zinc/82/85/44/572828544.db2.gz ZMXLBRXUWBKDGJ-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CC(C)C(=O)c1ccn(CCCO)c1 85842643 572828575 /nfs/dbraw/zinc/82/85/75/572828575.db2.gz DOXXJZQZJBBVHV-UHFFFAOYSA-N 0 0 195.262 1.709 10 0 ADAERN O=C(c1ccn(CCCO)c1)C1CC1 85844362 572828584 /nfs/dbraw/zinc/82/85/84/572828584.db2.gz DKODEGBFYCBLFT-UHFFFAOYSA-N 0 0 193.246 1.463 10 0 ADAERN C[C@H](O)Cn1ccc(C(=O)C2CC2)c1 85844614 572828588 /nfs/dbraw/zinc/82/85/88/572828588.db2.gz FTRBQVRNQJIRBL-QMMMGPOBSA-N 0 0 193.246 1.462 10 0 ADAERN CN1CCO[C@H](c2ccccc2O)C1 71491568 572828592 /nfs/dbraw/zinc/82/85/92/572828592.db2.gz WIHOJAPTLQSEHH-NSHDSACASA-N 0 0 193.246 1.395 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)OCCF)O1 307950836 572828637 /nfs/dbraw/zinc/82/86/37/572828637.db2.gz NZCXJSMRSHMQMS-RNFRBKRXSA-N 0 0 176.187 1.067 10 0 ADAERN CC(=O)N(CCCO)CC(C)(C)C 308141937 572828641 /nfs/dbraw/zinc/82/86/41/572828641.db2.gz JEOWLUYZIZAABD-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN OCC[C@H]1CNc2ccc(F)cc21 71486836 572828668 /nfs/dbraw/zinc/82/86/68/572828668.db2.gz IIFPSXJIEHOUFE-ZETCQYMHSA-N 0 0 181.210 1.717 10 0 ADAERN CC/C(=C/c1nc(C)c(C)[nH]1)C(=O)[O-] 714341701 572828671 /nfs/dbraw/zinc/82/86/71/572828671.db2.gz BBGVZNBEZLXSMY-YVMONPNESA-N 0 0 194.234 1.905 10 0 ADAERN CCCC(=O)c1ccn(C[C@H](C)O)c1 85841195 572828677 /nfs/dbraw/zinc/82/86/77/572828677.db2.gz NULHGBVLMOWWOP-VIFPVBQESA-N 0 0 195.262 1.852 10 0 ADAERN Nc1ccc2c(c1)CCCc1nccn1-2 238578753 572828680 /nfs/dbraw/zinc/82/86/80/572828680.db2.gz NSPLTGDDZNKAAI-UHFFFAOYSA-N 0 0 199.257 1.943 10 0 ADAERN [NH3+]C[C@@](CCC1CC1)(C(=O)[O-])C1CC1 236247026 572828916 /nfs/dbraw/zinc/82/89/16/572828916.db2.gz CKJZGDXQWDOWPS-LLVKDONJSA-N 0 0 197.278 1.616 10 0 ADAERN CCn1ccnc1CNn1cccc1 85828757 572828782 /nfs/dbraw/zinc/82/87/82/572828782.db2.gz JLXLTHICNOSMHT-UHFFFAOYSA-N 0 0 190.250 1.448 10 0 ADAERN CC(=O)CCNC(=O)C=C(C)C 71486484 572828783 /nfs/dbraw/zinc/82/87/83/572828783.db2.gz WRAWTTIPDSQMBO-UHFFFAOYSA-N 0 0 169.224 1.048 10 0 ADAERN OC[C@H]1CNc2c(F)cccc21 71486789 572828789 /nfs/dbraw/zinc/82/87/89/572828789.db2.gz PLQOCOQYMHMERY-ZCFIWIBFSA-N 0 0 167.183 1.327 10 0 ADAERN O=C1CCCC=C[C@@H]2C[C@@H]12 238586113 572828793 /nfs/dbraw/zinc/82/87/93/572828793.db2.gz MWTBWEQXRSGLHY-HTQZYQBOSA-N 0 0 136.194 1.932 10 0 ADAERN C/C=C(\C)[C@@H](C)CO 198955011 572828801 /nfs/dbraw/zinc/82/88/01/572828801.db2.gz LLZSFWXLMHONIT-KNIZRNDPSA-N 0 0 114.188 1.581 10 0 ADAERN [NH3+][C@@H](CC/C=C\c1ccc[nH]1)C(=O)[O-] 714561036 572828819 /nfs/dbraw/zinc/82/88/19/572828819.db2.gz RJJOKLKAODOKLO-LVXRCVOFSA-N 0 0 194.234 1.220 10 0 ADAERN C[N@@H+]1CC[C@H](CC(=O)[O-])C(C)(C)CC1 75125202 572828820 /nfs/dbraw/zinc/82/88/20/572828820.db2.gz YGSCPBOUYKEKLM-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CCCC(=O)c1ccn(CCO)c1 85841102 572828828 /nfs/dbraw/zinc/82/88/28/572828828.db2.gz MAMNBGNAHAKECH-UHFFFAOYSA-N 0 0 181.235 1.463 10 0 ADAERN CCONC[C@H]1CCO[C@@H](C)C1 308141844 572828847 /nfs/dbraw/zinc/82/88/47/572828847.db2.gz HSARVRSAPUYBAH-IUCAKERBSA-N 0 0 173.256 1.343 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)OCCF)O1 307950824 572828860 /nfs/dbraw/zinc/82/88/60/572828860.db2.gz NZCXJSMRSHMQMS-BQBZGAKWSA-N 0 0 176.187 1.067 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)OCCF)O1 307950842 572828865 /nfs/dbraw/zinc/82/88/65/572828865.db2.gz NZCXJSMRSHMQMS-RQJHMYQMSA-N 0 0 176.187 1.067 10 0 ADAERN CC[C@@H](O)c1ccn(CCCCO)c1 85839311 572828874 /nfs/dbraw/zinc/82/88/74/572828874.db2.gz KXXNQICNCZUNRB-LLVKDONJSA-N 0 0 197.278 1.704 10 0 ADAERN COCn1ccc([C@H](O)C2CC2)c1 85844886 572828905 /nfs/dbraw/zinc/82/89/05/572828905.db2.gz BJSXEHMVJHDPIZ-SNVBAGLBSA-N 0 0 181.235 1.535 10 0 ADAERN C[C@H](N)c1nc2cc(Cl)cnc2o1 71485445 572828906 /nfs/dbraw/zinc/82/89/06/572828906.db2.gz DUSXSVUSGVTQBK-BYPYZUCNSA-N 0 0 197.625 1.896 10 0 ADAERN CCOCn1ccc([C@@H](O)C2CC2)c1 85845100 572828941 /nfs/dbraw/zinc/82/89/41/572828941.db2.gz KKVHQDVLQROJRV-NSHDSACASA-N 0 0 195.262 1.926 10 0 ADAERN CC[C@H](O)c1ccn(CC(=O)OC)c1 85839201 572828959 /nfs/dbraw/zinc/82/89/59/572828959.db2.gz AJERTEFPTARLLP-VIFPVBQESA-N 0 0 197.234 1.105 10 0 ADAERN OCC[C@H]1CNc2c(F)cccc21 71486884 572828961 /nfs/dbraw/zinc/82/89/61/572828961.db2.gz TVJJZJWNOZEVRQ-ZETCQYMHSA-N 0 0 181.210 1.717 10 0 ADAERN NC(=O)[C@H]1Cc2ccc3ccccc3c21 238569458 572828982 /nfs/dbraw/zinc/82/89/82/572828982.db2.gz SHGUQMBHGVAHKR-NSHDSACASA-N 0 0 197.237 1.965 10 0 ADAERN C[C@H](O)Cn1ccc([C@H](O)C2CC2)c1 85844999 572829014 /nfs/dbraw/zinc/82/90/14/572829014.db2.gz RREHWSOKWQRONJ-GZMMTYOYSA-N 0 0 195.262 1.312 10 0 ADAERN CCc1ccc2c(c1)[C@H](CO)CN2 71486740 572829033 /nfs/dbraw/zinc/82/90/33/572829033.db2.gz MBQKMLCWQBIFLA-VIFPVBQESA-N 0 0 177.247 1.750 10 0 ADAERN CC(C)OCOC1CCC(=O)CC1 308141809 572829109 /nfs/dbraw/zinc/82/91/09/572829109.db2.gz LQGKTENOSBSXKP-UHFFFAOYSA-N 0 0 186.251 1.897 10 0 ADAERN Nc1ccnnc1C(=O)c1ccccc1 238571250 572829117 /nfs/dbraw/zinc/82/91/17/572829117.db2.gz ARZFBADAVUEIRP-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN CCc1ccc2c(c1)[C@@H](CO)CN2 71486741 572829120 /nfs/dbraw/zinc/82/91/20/572829120.db2.gz MBQKMLCWQBIFLA-SECBINFHSA-N 0 0 177.247 1.750 10 0 ADAERN CC(C)C1(C(=O)OCCCO)CC1 308141993 572829137 /nfs/dbraw/zinc/82/91/37/572829137.db2.gz JFULXQNEVWSNNK-UHFFFAOYSA-N 0 0 186.251 1.348 10 0 ADAERN CC(C)/C=C/C(=O)N(C)C[C@@H](C)O 308141657 572829156 /nfs/dbraw/zinc/82/91/56/572829156.db2.gz IXMYNRFYUZNGNL-VUHVRTRXSA-N 0 0 185.267 1.038 10 0 ADAERN c1ccc(-c2cn3cccnc3n2)nc1 205231688 572829180 /nfs/dbraw/zinc/82/91/80/572829180.db2.gz PSBYUMOQNLVNRU-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CC(C)C[C@H](C)[C@@H](O)[C@H](O)C1CC1 308142059 572829197 /nfs/dbraw/zinc/82/91/97/572829197.db2.gz LUYXZHSNEZNOGK-JMJZKYOTSA-N 0 0 186.295 1.800 10 0 ADAERN CN1CCO[C@@H](c2ccccc2O)C1 71491569 572829238 /nfs/dbraw/zinc/82/92/38/572829238.db2.gz WIHOJAPTLQSEHH-LLVKDONJSA-N 0 0 193.246 1.395 10 0 ADAERN Cc1[nH]c(=O)nc2cc(Cl)ccc12 214779996 572829263 /nfs/dbraw/zinc/82/92/63/572829263.db2.gz CZCPYLVMKKWXLJ-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN COc1cccc(N(C)C(N)=S)c1 49971999 572829306 /nfs/dbraw/zinc/82/93/06/572829306.db2.gz FGYHNHNVJLUYBL-UHFFFAOYSA-N 0 0 196.275 1.375 10 0 ADAERN [NH3+][C@H]1CCC[C@H](CCCC(=O)[O-])C1 238572028 572829363 /nfs/dbraw/zinc/82/93/63/572829363.db2.gz HZKRURWKFZCHEA-BDAKNGLRSA-N 0 0 185.267 1.759 10 0 ADAERN C[C@@]1(c2ccccc2)CC(=O)CCN1 71485135 572829365 /nfs/dbraw/zinc/82/93/65/572829365.db2.gz PEGXOCOYJFKSIB-LBPRGKRZSA-N 0 0 189.258 1.854 10 0 ADAERN Cc1cnn(-c2ccc(C)nn2)c1 49961173 572829428 /nfs/dbraw/zinc/82/94/28/572829428.db2.gz SIGOUEGPQHZWAV-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN C[C@H](SC[C@H](C)CO)C(C)(C)O 307951325 572829460 /nfs/dbraw/zinc/82/94/60/572829460.db2.gz OINPWOHMGHOOLM-SFYZADRCSA-N 0 0 192.324 1.507 10 0 ADAERN OCC[C@@H]1CNc2ccc(F)cc21 71486835 572829474 /nfs/dbraw/zinc/82/94/74/572829474.db2.gz IIFPSXJIEHOUFE-SSDOTTSWSA-N 0 0 181.210 1.717 10 0 ADAERN CCONC[C@H]1CCO[C@H](C)C1 308141842 572829545 /nfs/dbraw/zinc/82/95/45/572829545.db2.gz HSARVRSAPUYBAH-BDAKNGLRSA-N 0 0 173.256 1.343 10 0 ADAERN CCC(CC)CC(=O)C(=O)OC 199040584 572829583 /nfs/dbraw/zinc/82/95/83/572829583.db2.gz IBUSCYSSTSTFFQ-UHFFFAOYSA-N 0 0 172.224 1.555 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CO)CN2 71486738 572829594 /nfs/dbraw/zinc/82/95/94/572829594.db2.gz LDYPGHOMLRYNPY-MRVPVSSYSA-N 0 0 163.220 1.496 10 0 ADAERN O=Cc1ccc(OCC2CC2)o1 85873685 572829629 /nfs/dbraw/zinc/82/96/29/572829629.db2.gz LEWPESZHEGGGMK-UHFFFAOYSA-N 0 0 166.176 1.881 10 0 ADAERN C[C@@H](CC(F)F)NCc1cocn1 308142081 572829646 /nfs/dbraw/zinc/82/96/46/572829646.db2.gz JJGDIMPXHMEEST-LURJTMIESA-N 0 0 190.193 1.808 10 0 ADAERN C[C@H](N)c1nc2cccnc2o1 71485438 572829674 /nfs/dbraw/zinc/82/96/74/572829674.db2.gz FXARDFVBVUYUDK-YFKPBYRVSA-N 0 0 163.180 1.243 10 0 ADAERN CCC/C(=C(\C)C(N)=O)N(CC)CC 118305469 572829685 /nfs/dbraw/zinc/82/96/85/572829685.db2.gz WTBZROOXCWIPBN-KTKRTIGZSA-N 0 0 198.310 1.888 10 0 ADAERN CCCOC(=O)NCc1cc[nH]c1 308142021 572829687 /nfs/dbraw/zinc/82/96/87/572829687.db2.gz LTANAQINVRVVGT-UHFFFAOYSA-N 0 0 182.223 1.651 10 0 ADAERN CCOC(=O)C1CC(OC(F)F)C1 308141590 572829690 /nfs/dbraw/zinc/82/96/90/572829690.db2.gz UMAWFQNZNKSSFC-UHFFFAOYSA-N 0 0 194.177 1.567 10 0 ADAERN OC[C@H]1CNc2c(Cl)cccc21 71486793 572829764 /nfs/dbraw/zinc/82/97/64/572829764.db2.gz QONCXQISPJAYSA-ZCFIWIBFSA-N 0 0 183.638 1.841 10 0 ADAERN c1ccc(COc2cnccn2)nc1 199048402 572829765 /nfs/dbraw/zinc/82/97/65/572829765.db2.gz ITEFAVZGEIZCBK-UHFFFAOYSA-N 0 0 187.202 1.451 10 0 ADAERN CCc1nc2cc(N)cnc2o1 71485554 572829776 /nfs/dbraw/zinc/82/97/76/572829776.db2.gz MVHNIJGZBFGXCJ-UHFFFAOYSA-N 0 0 163.180 1.367 10 0 ADAERN CCOC(=O)[C@H](C)c1cccc(F)n1 118247757 572829813 /nfs/dbraw/zinc/82/98/13/572829813.db2.gz PBLPWJAHAJFTSG-SSDOTTSWSA-N 0 0 197.209 1.887 10 0 ADAERN COC(C)(C)C[C@@H]1CC(=O)NC1(C)C 234609743 572829824 /nfs/dbraw/zinc/82/98/24/572829824.db2.gz QTRMDZWRXOQVGS-QMMMGPOBSA-N 0 0 199.294 1.716 10 0 ADAERN OC[C@@H]1CNc2ccc(Cl)cc21 71486751 572829826 /nfs/dbraw/zinc/82/98/26/572829826.db2.gz GKUMYQDUYHIWDU-LURJTMIESA-N 0 0 183.638 1.841 10 0 ADAERN C[C@H](CO)CS[C@H](C)C(C)(C)O 307951323 572829827 /nfs/dbraw/zinc/82/98/27/572829827.db2.gz OINPWOHMGHOOLM-HTQZYQBOSA-N 0 0 192.324 1.507 10 0 ADAERN Cc1ccc2c(c1)[C@H](CO)CN2 71486737 572829899 /nfs/dbraw/zinc/82/98/99/572829899.db2.gz LDYPGHOMLRYNPY-QMMMGPOBSA-N 0 0 163.220 1.496 10 0 ADAERN Cc1cccc2c1NC[C@@H]2CCO 71486873 572829908 /nfs/dbraw/zinc/82/99/08/572829908.db2.gz NGGPCRAIOJXTOP-VIFPVBQESA-N 0 0 177.247 1.887 10 0 ADAERN CC(C)C[C@H](C)[C@H](O)[C@@H](O)C1CC1 308142061 572829978 /nfs/dbraw/zinc/82/99/78/572829978.db2.gz LUYXZHSNEZNOGK-LSJOCFKGSA-N 0 0 186.295 1.800 10 0 ADAERN [NH3+][C@H](CC/C=C\c1ccc[nH]1)C(=O)[O-] 714561043 572830011 /nfs/dbraw/zinc/83/00/11/572830011.db2.gz RJJOKLKAODOKLO-RZXPJHQTSA-N 0 0 194.234 1.220 10 0 ADAERN OCC[C@@H]1CNc2c(F)cccc21 71486886 572830016 /nfs/dbraw/zinc/83/00/16/572830016.db2.gz TVJJZJWNOZEVRQ-SSDOTTSWSA-N 0 0 181.210 1.717 10 0 ADAERN Cc1cnn(-c2ncc(Cl)cn2)c1 214780974 572830025 /nfs/dbraw/zinc/83/00/25/572830025.db2.gz TVOJDTYDYBERFE-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN CC[C@@H](C)ONC(=O)CCSC 307952318 572830918 /nfs/dbraw/zinc/83/09/18/572830918.db2.gz OWEKEPBIYZJTLF-SSDOTTSWSA-N 0 0 191.296 1.586 10 0 ADAERN O=C1OCc2ccsc21 118282477 572830145 /nfs/dbraw/zinc/83/01/45/572830145.db2.gz PXXSVBAQFMDQNF-UHFFFAOYSA-N 0 0 140.163 1.419 10 0 ADAERN O[C@H](Cc1cccs1)[C@H](O)C1CC1 236549099 572830263 /nfs/dbraw/zinc/83/02/63/572830263.db2.gz VWWPBKVYWICGPD-NXEZZACHSA-N 0 0 198.287 1.422 10 0 ADAERN Cc1cccc2c1NC[C@H]2CCO 71486875 572830279 /nfs/dbraw/zinc/83/02/79/572830279.db2.gz NGGPCRAIOJXTOP-SECBINFHSA-N 0 0 177.247 1.887 10 0 ADAERN Cc1[nH]c(=O)nc2cccc(Cl)c12 214779917 572830310 /nfs/dbraw/zinc/83/03/10/572830310.db2.gz YLXVEVVGKKUJNV-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN CO[C@H](C)[C@@H](O)C[C@@H]1CCCOC1 689575980 572830317 /nfs/dbraw/zinc/83/03/17/572830317.db2.gz PDHKRFSPHCOIDL-UTLUCORTSA-N 0 0 188.267 1.199 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2cc([O-])c(Cl)cc21 713762693 572830364 /nfs/dbraw/zinc/83/03/64/572830364.db2.gz MBZNAHXUKKWQRC-SSDOTTSWSA-N 0 0 197.621 1.632 10 0 ADAERN CC(C)C[C@H](C)[C@H](O)[C@H](O)C1CC1 308142056 572830345 /nfs/dbraw/zinc/83/03/45/572830345.db2.gz LUYXZHSNEZNOGK-INTQDDNPSA-N 0 0 186.295 1.800 10 0 ADAERN CN(CC(N)=S)c1ccc(F)cc1 49965090 572830524 /nfs/dbraw/zinc/83/05/24/572830524.db2.gz KCVNGGLIUVZOCK-UHFFFAOYSA-N 0 0 198.266 1.548 10 0 ADAERN CC(C)(C)ONC(=O)NCC1CC1 308142046 572830652 /nfs/dbraw/zinc/83/06/52/572830652.db2.gz JHIMDCOUYMRGCJ-UHFFFAOYSA-N 0 0 186.255 1.426 10 0 ADAERN COC(C)(C)C[C@@H]1CC(=O)N[C@@H]1C 234609791 572830672 /nfs/dbraw/zinc/83/06/72/572830672.db2.gz ONSGKEJQXAGNMP-SFYZADRCSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)/C=C\C(=O)N(C)C[C@H](C)O 308141655 572830680 /nfs/dbraw/zinc/83/06/80/572830680.db2.gz IXMYNRFYUZNGNL-UDIARPCQSA-N 0 0 185.267 1.038 10 0 ADAERN CCOC(=O)N(C)C1CCC(=O)CC1 85871478 572830682 /nfs/dbraw/zinc/83/06/82/572830682.db2.gz GMVBFLFNVKSYJZ-UHFFFAOYSA-N 0 0 199.250 1.586 10 0 ADAERN CCCC(=O)N(C)C1CCC(=O)CC1 85871390 572830687 /nfs/dbraw/zinc/83/06/87/572830687.db2.gz UIBRTIQOMTVYQE-UHFFFAOYSA-N 0 0 197.278 1.757 10 0 ADAERN Cc1cc(C=O)ccc1OCCCO 85873951 572830700 /nfs/dbraw/zinc/83/07/00/572830700.db2.gz KWHIPWFZIXHONH-UHFFFAOYSA-N 0 0 194.230 1.569 10 0 ADAERN C[C@]1(C(=O)OCCF)CCCS1 307953120 572830752 /nfs/dbraw/zinc/83/07/52/572830752.db2.gz PPLPWBMGECQSKG-MRVPVSSYSA-N 0 0 192.255 1.785 10 0 ADAERN CO[C@H](C)[C@H](O)C[C@H]1CCCOC1 689575978 572830829 /nfs/dbraw/zinc/83/08/29/572830829.db2.gz PDHKRFSPHCOIDL-OPRDCNLKSA-N 0 0 188.267 1.199 10 0 ADAERN Cc1ccc(C(=O)CCO)c(C)c1 71497436 572830851 /nfs/dbraw/zinc/83/08/51/572830851.db2.gz BWKDEVRQENILCM-UHFFFAOYSA-N 0 0 178.231 1.869 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)Cc1cccs1 236548966 572830793 /nfs/dbraw/zinc/83/07/93/572830793.db2.gz VWWPBKVYWICGPD-ZJUUUORDSA-N 0 0 198.287 1.422 10 0 ADAERN [NH3+][C@H]1CC(=O)c2cc([O-])c(Cl)cc21 713762694 572831171 /nfs/dbraw/zinc/83/11/71/572831171.db2.gz MBZNAHXUKKWQRC-ZETCQYMHSA-N 0 0 197.621 1.632 10 0 ADAERN C/C=C\COC(=O)c1ccon1 307951928 572831178 /nfs/dbraw/zinc/83/11/78/572831178.db2.gz OQTKGTBPPPNQAS-IHWYPQMZSA-N 0 0 167.164 1.408 10 0 ADAERN CCOC(=O)[C@@H](C)c1cccc(F)n1 118247755 572831246 /nfs/dbraw/zinc/83/12/46/572831246.db2.gz PBLPWJAHAJFTSG-ZETCQYMHSA-N 0 0 197.209 1.887 10 0 ADAERN COc1ccc2c(c1)NC(=S)NC2 214771940 572831293 /nfs/dbraw/zinc/83/12/93/572831293.db2.gz LPHYEJDGACNHJN-UHFFFAOYSA-N 0 0 194.259 1.495 10 0 ADAERN CCOCC[S@@](=O)C(CC)CC 308142707 572831355 /nfs/dbraw/zinc/83/13/55/572831355.db2.gz IFCOMQGIYFUCCD-GFCCVEGCSA-N 0 0 192.324 1.960 10 0 ADAERN C[C@H]1C[NH2+][C@H](c2ccccc2)O1 71495706 572831365 /nfs/dbraw/zinc/83/13/65/572831365.db2.gz JJMTWGHPIRGCTE-WPRPVWTQSA-N 0 0 163.220 1.694 10 0 ADAERN COC(=O)CC[C@@H](O)C=C(C)C 214007591 572831384 /nfs/dbraw/zinc/83/13/84/572831384.db2.gz KJUHWCIACYHQJJ-MRVPVSSYSA-N 0 0 172.224 1.267 10 0 ADAERN C[C@@]1(C(=O)OCCF)CCCS1 307953121 572831446 /nfs/dbraw/zinc/83/14/46/572831446.db2.gz PPLPWBMGECQSKG-QMMMGPOBSA-N 0 0 192.255 1.785 10 0 ADAERN Nc1cnn(-c2cccc(Cl)n2)c1 214780826 572831465 /nfs/dbraw/zinc/83/14/65/572831465.db2.gz VZVAOGNBKNBGJR-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccc(C(=O)C2CC2)s1 75387276 572834277 /nfs/dbraw/zinc/83/42/77/572834277.db2.gz DPFHUKKGHXPMGI-UHFFFAOYSA-N 0 0 167.233 1.923 10 0 ADAERN CCNC(=O)[C@H](C)SCCCF 307952647 572831585 /nfs/dbraw/zinc/83/15/85/572831585.db2.gz PEBUNPGYFANIOI-ZETCQYMHSA-N 0 0 193.287 1.604 10 0 ADAERN Cc1ccc(C)c(CC(=O)CO)c1 71497427 572834279 /nfs/dbraw/zinc/83/42/79/572834279.db2.gz BKPNHIVDLRIPEY-UHFFFAOYSA-N 0 0 178.231 1.407 10 0 ADAERN CN(N)Cc1ccc(Cl)cc1 71496606 572831602 /nfs/dbraw/zinc/83/16/02/572831602.db2.gz WFFSFZLNIBGJLJ-UHFFFAOYSA-N 0 0 170.643 1.646 10 0 ADAERN CCNC(=O)[C@@H](C)SCCCF 307952645 572831605 /nfs/dbraw/zinc/83/16/05/572831605.db2.gz PEBUNPGYFANIOI-SSDOTTSWSA-N 0 0 193.287 1.604 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)Cc1ccccc1 236539278 572831616 /nfs/dbraw/zinc/83/16/16/572831616.db2.gz SSTIPPCMZSITCO-NEPJUHHUSA-N 0 0 192.258 1.361 10 0 ADAERN CCOC[C@H](O)C[C@H](C)[C@@H](O)CC 222505472 572831659 /nfs/dbraw/zinc/83/16/59/572831659.db2.gz RFNRYPWZBBXOOH-AEJSXWLSSA-N 0 0 190.283 1.181 10 0 ADAERN C/C=C/CS(=O)(=O)N(C)CCC 307952656 572831789 /nfs/dbraw/zinc/83/17/89/572831789.db2.gz PEUFYELYKBVXJX-GQCTYLIASA-N 0 0 191.296 1.234 10 0 ADAERN Cc1cccc(CC(=O)CO)c1 71495746 572831790 /nfs/dbraw/zinc/83/17/90/572831790.db2.gz VVYIPWMBFFNVTI-UHFFFAOYSA-N 0 0 164.204 1.099 10 0 ADAERN O=Cc1ccc(OC[C@H]2CCCO2)o1 85873781 572831791 /nfs/dbraw/zinc/83/17/91/572831791.db2.gz QMRFAOXIZOVWQR-SECBINFHSA-N 0 0 196.202 1.650 10 0 ADAERN O=c1[nH]c2ccccc2c2c1CCN2 71495028 572831828 /nfs/dbraw/zinc/83/18/28/572831828.db2.gz INOOIBJCSOHHIE-UHFFFAOYSA-N 0 0 186.214 1.496 10 0 ADAERN O[C@H](CCC1CC1)[C@H](O)C1CC1 236539964 572831841 /nfs/dbraw/zinc/83/18/41/572831841.db2.gz ARBVXCFBXXLCSA-NXEZZACHSA-N 0 0 170.252 1.308 10 0 ADAERN C[C@H]1C[NH2+][C@@H](c2ccccc2)O1 71495708 572831842 /nfs/dbraw/zinc/83/18/42/572831842.db2.gz JJMTWGHPIRGCTE-WCBMZHEXSA-N 0 0 163.220 1.694 10 0 ADAERN Cc1cc(-n2nccc2C)ncn1 49960916 572831866 /nfs/dbraw/zinc/83/18/66/572831866.db2.gz GTJDKWUESCTNIP-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN COc1cccc2c1NC(=S)NC2 214772003 572831868 /nfs/dbraw/zinc/83/18/68/572831868.db2.gz PCENDICFQTWPIL-UHFFFAOYSA-N 0 0 194.259 1.495 10 0 ADAERN C/C=C\CS(=O)(=O)N(C)CCC 307952658 572831879 /nfs/dbraw/zinc/83/18/79/572831879.db2.gz PEUFYELYKBVXJX-XQRVVYSFSA-N 0 0 191.296 1.234 10 0 ADAERN COC(=O)CC[C@H](O)C=C(C)C 214007646 572831881 /nfs/dbraw/zinc/83/18/81/572831881.db2.gz KJUHWCIACYHQJJ-QMMMGPOBSA-N 0 0 172.224 1.267 10 0 ADAERN COc1ccc(/C=C\CO)cn1 198973140 572831897 /nfs/dbraw/zinc/83/18/97/572831897.db2.gz DVSPQHHRAXREOE-IHWYPQMZSA-N 0 0 165.192 1.096 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)CCC1CC1 236539812 572831916 /nfs/dbraw/zinc/83/19/16/572831916.db2.gz ARBVXCFBXXLCSA-ZJUUUORDSA-N 0 0 170.252 1.308 10 0 ADAERN CC(C)[C@H]([NH3+])C(=O)c1cc[nH]c1 71496037 572831921 /nfs/dbraw/zinc/83/19/21/572831921.db2.gz FBTLOWBATKHPLW-QMMMGPOBSA-N 0 0 166.224 1.181 10 0 ADAERN C[C@H]1CO[C@@H](c2ccccc2)[NH2+]1 71495712 572831928 /nfs/dbraw/zinc/83/19/28/572831928.db2.gz XVORNMQUDXNBIH-WPRPVWTQSA-N 0 0 163.220 1.694 10 0 ADAERN Cn1cc(CCO)c2ccc(F)cc21 71491864 572831958 /nfs/dbraw/zinc/83/19/58/572831958.db2.gz WNEIZBSEBIXXAZ-UHFFFAOYSA-N 0 0 193.221 1.852 10 0 ADAERN Cc1cc(C=O)ccc1OCCO 85873677 572831972 /nfs/dbraw/zinc/83/19/72/572831972.db2.gz SRWFPUBHQOEHIJ-UHFFFAOYSA-N 0 0 180.203 1.179 10 0 ADAERN COC(C)(C)C[C@@H]1CC(=O)CCO1 234609593 572831987 /nfs/dbraw/zinc/83/19/87/572831987.db2.gz BFVHJGUTLPTVQJ-VIFPVBQESA-N 0 0 186.251 1.550 10 0 ADAERN O[C@H](Cc1ccsc1)[C@H](O)C1CC1 236554341 572832022 /nfs/dbraw/zinc/83/20/22/572832022.db2.gz DLLBTFLWOVHXQN-NXEZZACHSA-N 0 0 198.287 1.422 10 0 ADAERN CN(C(N)=S)c1ccc(F)cc1 49965513 572832027 /nfs/dbraw/zinc/83/20/27/572832027.db2.gz YONFSJWBKHYRTE-UHFFFAOYSA-N 0 0 184.239 1.506 10 0 ADAERN Cc1nc(-c2ccco2)[nH]c1C=O 71496968 572832068 /nfs/dbraw/zinc/83/20/68/572832068.db2.gz LESBDAKMGJYMTE-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN O[C@@H](c1ccccc1)[C@H](O)CC1CC1 236556496 572832092 /nfs/dbraw/zinc/83/20/92/572832092.db2.gz OLOQZFYNQXHCDT-NEPJUHHUSA-N 0 0 192.258 1.881 10 0 ADAERN Cc1cccc2c(Cl)[nH]c(=O)nc12 214780755 572832120 /nfs/dbraw/zinc/83/21/20/572832120.db2.gz WIXJOLXHJZHIEH-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN Cc1ccc(CC(=O)CO)c(C)c1 71497429 572832147 /nfs/dbraw/zinc/83/21/47/572832147.db2.gz RGYXHDKVOVRYEJ-UHFFFAOYSA-N 0 0 178.231 1.407 10 0 ADAERN C/C=C(\C)CC[C@@H](O)C(C)(C)O 307952373 572832152 /nfs/dbraw/zinc/83/21/52/572832152.db2.gz VPJGDCTXZWAGSJ-WHXYTISESA-N 0 0 172.268 1.865 10 0 ADAERN C/C=C\C(=O)N[C@H]1[C@H]2CCC[C@H]21 307952636 572832207 /nfs/dbraw/zinc/83/22/07/572832207.db2.gz PDSBTAGRIAONNH-CPBAJMJNSA-N 0 0 165.236 1.477 10 0 ADAERN CC[C@H](C)COC(=O)C1COC1 307953080 572832225 /nfs/dbraw/zinc/83/22/25/572832225.db2.gz PNOYLIKYEOTHRZ-ZETCQYMHSA-N 0 0 172.224 1.222 10 0 ADAERN COc1nnccc1Cl 199017973 572832293 /nfs/dbraw/zinc/83/22/93/572832293.db2.gz KRCCBVLSVMIHRQ-UHFFFAOYSA-N 0 0 144.561 1.139 10 0 ADAERN Nc1ccc(C(CCO)CCO)cc1 238580568 572832405 /nfs/dbraw/zinc/83/24/05/572832405.db2.gz ZXRJPVMMUGDKLH-UHFFFAOYSA-N 0 0 195.262 1.117 10 0 ADAERN CC(C)[C@@H]([NH3+])C(=O)c1ccco1 71496169 572832443 /nfs/dbraw/zinc/83/24/43/572832443.db2.gz HKRGOHKFFYUERP-MRVPVSSYSA-N 0 0 167.208 1.446 10 0 ADAERN C=C/C=C\C[C@H](C)O 199032195 572832487 /nfs/dbraw/zinc/83/24/87/572832487.db2.gz LIVXGUWPALMDDP-MJSGSUOKSA-N 0 0 112.172 1.500 10 0 ADAERN CC(=O)c1ccc(OCCF)nc1 118254931 572832491 /nfs/dbraw/zinc/83/24/91/572832491.db2.gz GJYBGFIDMUBSKN-UHFFFAOYSA-N 0 0 183.182 1.633 10 0 ADAERN CCOC[C@H](O)C[C@@H](C)[C@@H](O)CC 222505403 572832544 /nfs/dbraw/zinc/83/25/44/572832544.db2.gz RFNRYPWZBBXOOH-BBBLOLIVSA-N 0 0 190.283 1.181 10 0 ADAERN COC(C)(C)C[C@@H]1CC(=O)N[C@H]1C 234610029 572832545 /nfs/dbraw/zinc/83/25/45/572832545.db2.gz ONSGKEJQXAGNMP-YUMQZZPRSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@@H]1CO[C@H](c2ccccc2)[NH2+]1 71495709 572832560 /nfs/dbraw/zinc/83/25/60/572832560.db2.gz XVORNMQUDXNBIH-PSASIEDQSA-N 0 0 163.220 1.694 10 0 ADAERN Cc1nc(C(C)C)n(C)c1C(=O)[O-] 71494006 572832603 /nfs/dbraw/zinc/83/26/03/572832603.db2.gz AMLXXDDTYWPUDA-UHFFFAOYSA-N 0 0 182.223 1.550 10 0 ADAERN C/C=C\C(=O)N[C@@H]1[C@H]2CCC[C@H]21 307952637 572832606 /nfs/dbraw/zinc/83/26/06/572832606.db2.gz PDSBTAGRIAONNH-HXXVMRMKSA-N 0 0 165.236 1.477 10 0 ADAERN CC(C)c1nc(CC(=O)[O-])cn1C 71494005 572832677 /nfs/dbraw/zinc/83/26/77/572832677.db2.gz SDUAIWWUHFYNBP-UHFFFAOYSA-N 0 0 182.223 1.171 10 0 ADAERN O[C@H](CCC1CC1)C1(O)CCCC1 236539541 572832701 /nfs/dbraw/zinc/83/27/01/572832701.db2.gz JAMQMRWPTVFOLL-SNVBAGLBSA-N 0 0 184.279 1.843 10 0 ADAERN CO[C@H](C)[C@@H](O)C[C@H]1CCCOC1 689575973 572832768 /nfs/dbraw/zinc/83/27/68/572832768.db2.gz PDHKRFSPHCOIDL-BBBLOLIVSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@@H]1C[NH2+][C@H](c2ccccc2)O1 71495705 572832784 /nfs/dbraw/zinc/83/27/84/572832784.db2.gz JJMTWGHPIRGCTE-SCZZXKLOSA-N 0 0 163.220 1.694 10 0 ADAERN COc1ccc(N(C)C(N)=S)cc1 49972003 572832846 /nfs/dbraw/zinc/83/28/46/572832846.db2.gz RTFABOSJNCLORJ-UHFFFAOYSA-N 0 0 196.275 1.375 10 0 ADAERN Cc1cc(O)c(C=O)cc1CO 198980723 572832873 /nfs/dbraw/zinc/83/28/73/572832873.db2.gz AQBFCLODQGMYMZ-UHFFFAOYSA-N 0 0 166.176 1.005 10 0 ADAERN COc1cccc2c1CNC(=S)N2 214772079 572832881 /nfs/dbraw/zinc/83/28/81/572832881.db2.gz KTSDFKXXJJQWAX-UHFFFAOYSA-N 0 0 194.259 1.495 10 0 ADAERN C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C)C(=O)[O-] 223124806 572832924 /nfs/dbraw/zinc/83/29/24/572832924.db2.gz IMSJHGSOCMOLQT-GUBZILKMSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1ccc(-n2nccc2C)nn1 49961182 572832933 /nfs/dbraw/zinc/83/29/33/572832933.db2.gz GSSDXPWDVIYVKR-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CC(O)=CC(=O)Cc1cccc(F)c1 118301926 572832975 /nfs/dbraw/zinc/83/29/75/572832975.db2.gz KAQNWWGUHCOPTM-UHFFFAOYSA-N 0 0 194.205 1.916 10 0 ADAERN Nc1cnn(-c2cc(Cl)ccn2)c1 214780906 572833035 /nfs/dbraw/zinc/83/30/35/572833035.db2.gz HJMBWGUSJXEBDL-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN OC[C@@H](O)c1ccc2c(c1)CCC2 71497438 572833090 /nfs/dbraw/zinc/83/30/90/572833090.db2.gz SYJJOWUKWHHZHG-LLVKDONJSA-N 0 0 178.231 1.201 10 0 ADAERN O=C1CCC=C[C@@H]2COC[C@@H]2C1 238585091 572833181 /nfs/dbraw/zinc/83/31/81/572833181.db2.gz HDZGBHMKOQFXNQ-BDAKNGLRSA-N 0 0 166.220 1.558 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](c2ccccc2)O1 71495707 572833190 /nfs/dbraw/zinc/83/31/90/572833190.db2.gz JJMTWGHPIRGCTE-PSASIEDQSA-N 0 0 163.220 1.694 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccccc2)[NH2+]1 71495711 572833198 /nfs/dbraw/zinc/83/31/98/572833198.db2.gz XVORNMQUDXNBIH-SCZZXKLOSA-N 0 0 163.220 1.694 10 0 ADAERN Cc1cc(N)nc(-c2cc[nH]c2)n1 71496809 572833216 /nfs/dbraw/zinc/83/32/16/572833216.db2.gz DSSXAGYDYPOMMT-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CCOCC[S@](=O)C(CC)CC 308142711 572833274 /nfs/dbraw/zinc/83/32/74/572833274.db2.gz IFCOMQGIYFUCCD-LBPRGKRZSA-N 0 0 192.324 1.960 10 0 ADAERN CN(N)Cc1ccccc1F 71495501 572833314 /nfs/dbraw/zinc/83/33/14/572833314.db2.gz TZMQWWJYHNYRAW-UHFFFAOYSA-N 0 0 154.188 1.131 10 0 ADAERN CC(C)/C=C/C(=O)NCC(F)(F)F 308142868 572833342 /nfs/dbraw/zinc/83/33/42/572833342.db2.gz JQWMPMOQJOHCAX-ONEGZZNKSA-N 0 0 195.184 1.877 10 0 ADAERN NC(=O)NC(C1CC1)(C1CC1)C1CC1 238583735 572833358 /nfs/dbraw/zinc/83/33/58/572833358.db2.gz HFZOGTPCOAVTMI-UHFFFAOYSA-N 0 0 194.278 1.624 10 0 ADAERN CCn1ccn(CCCCF)c1=O 308142275 572833383 /nfs/dbraw/zinc/83/33/83/572833383.db2.gz LZZJRBWSJRSUTQ-UHFFFAOYSA-N 0 0 186.230 1.419 10 0 ADAERN O[C@H](CC1CCC1)[C@H](O)C1CC1 236558322 572834943 /nfs/dbraw/zinc/83/49/43/572834943.db2.gz MJIGGMLPNKTPHF-NXEZZACHSA-N 0 0 170.252 1.308 10 0 ADAERN Cc1cccc(CCN(C)N)c1 71495807 572833403 /nfs/dbraw/zinc/83/34/03/572833403.db2.gz MBKGGANLAJDZIS-UHFFFAOYSA-N 0 0 164.252 1.343 10 0 ADAERN COCCOC[C@@](C)(CO)C1CC1 308142843 572833427 /nfs/dbraw/zinc/83/34/27/572833427.db2.gz MJENPONXIRYNPY-SNVBAGLBSA-N 0 0 188.267 1.058 10 0 ADAERN COC(=O)[C@@H]1CC(=O)[C@H]2CCCC[C@H]21 250433989 572833428 /nfs/dbraw/zinc/83/34/28/572833428.db2.gz VDTXZCIJKKWAJL-HRDYMLBCSA-N 0 0 196.246 1.555 10 0 ADAERN O=Cc1ncn2c1CCc1ccncc1-2 118382552 572833486 /nfs/dbraw/zinc/83/34/86/572833486.db2.gz FSMZFBPNXBBRDF-UHFFFAOYSA-N 0 0 199.213 1.178 10 0 ADAERN CC(=O)OC[C@@H](O)c1cccs1 307955135 572833496 /nfs/dbraw/zinc/83/34/96/572833496.db2.gz DUXQABDKGMFYLK-SSDOTTSWSA-N 0 0 186.232 1.345 10 0 ADAERN CC(=O)c1onc(C(F)(F)F)c1N 75386314 572833505 /nfs/dbraw/zinc/83/35/05/572833505.db2.gz XCPKVESNRRVJOU-UHFFFAOYSA-N 0 0 194.112 1.478 10 0 ADAERN Nc1n[nH]c2c1c(N)nc1ccccc12 238586461 572833523 /nfs/dbraw/zinc/83/35/23/572833523.db2.gz UTHMJTWNALQBSW-UHFFFAOYSA-N 0 0 199.217 1.276 10 0 ADAERN Nc1cc(C(=O)c2cnco2)cs1 75387589 572833534 /nfs/dbraw/zinc/83/35/34/572833534.db2.gz IQYLINFRJBNJIY-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN O=Cc1ccc(Cc2cc[nH]n2)s1 75387021 572833555 /nfs/dbraw/zinc/83/35/55/572833555.db2.gz QTJDHCOPGLEOCX-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN C[C@@H]1OCC[NH2+][C@H]1c1ccccc1 71497310 572833565 /nfs/dbraw/zinc/83/35/65/572833565.db2.gz YCMKNJLSQACMTL-GXSJLCMTSA-N 0 0 177.247 1.736 10 0 ADAERN Cc1nc(C(C)C)n(C)c1CC(=O)[O-] 71494008 572833586 /nfs/dbraw/zinc/83/35/86/572833586.db2.gz DSCPCTHWDIKMOD-UHFFFAOYSA-N 0 0 196.250 1.479 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@H](C)[C@H](O)C1 299891304 572833588 /nfs/dbraw/zinc/83/35/88/572833588.db2.gz MOOAZCLQCNHHDJ-LPEHRKFASA-N 0 0 199.294 1.262 10 0 ADAERN CC(=O)c1cc2cncnc2[nH]1 75393392 572834962 /nfs/dbraw/zinc/83/49/62/572834962.db2.gz WVFTWTDQFMLLDC-UHFFFAOYSA-N 0 0 161.164 1.161 10 0 ADAERN C[C@H]1CO[C@H](c2ccccc2)[NH2+]1 71495710 572833635 /nfs/dbraw/zinc/83/36/35/572833635.db2.gz XVORNMQUDXNBIH-WCBMZHEXSA-N 0 0 163.220 1.694 10 0 ADAERN O[C@H](CC1CCCC1)[C@H](O)C1CC1 236561035 572833650 /nfs/dbraw/zinc/83/36/50/572833650.db2.gz PPANAYWFQGEZQU-GHMZBOCLSA-N 0 0 184.279 1.699 10 0 ADAERN C[C@H]1OCC[NH2+][C@@H]1c1ccccc1 71497312 572833675 /nfs/dbraw/zinc/83/36/75/572833675.db2.gz YCMKNJLSQACMTL-KOLCDFICSA-N 0 0 177.247 1.736 10 0 ADAERN C[C@H]1OCC[NH2+][C@H]1c1ccccc1 71497308 572833689 /nfs/dbraw/zinc/83/36/89/572833689.db2.gz YCMKNJLSQACMTL-MWLCHTKSSA-N 0 0 177.247 1.736 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)CC1CCCC1 236560837 572833707 /nfs/dbraw/zinc/83/37/07/572833707.db2.gz PPANAYWFQGEZQU-MNOVXSKESA-N 0 0 184.279 1.699 10 0 ADAERN COCC(=O)Nc1cc(C)c(C)s1 71492232 572833738 /nfs/dbraw/zinc/83/37/38/572833738.db2.gz AUDUNIYRUXDJBP-UHFFFAOYSA-N 0 0 199.275 1.950 10 0 ADAERN CC(C)c1ncc(N)o1 71495198 572834297 /nfs/dbraw/zinc/83/42/97/572834297.db2.gz IKYJARSGDSMQHP-UHFFFAOYSA-N 0 0 126.159 1.380 10 0 ADAERN CO[C@H]1CCCC[C@]1(O)C1=CCCO1 234869374 572833805 /nfs/dbraw/zinc/83/38/05/572833805.db2.gz XEVHDANHSNJIRU-GXSJLCMTSA-N 0 0 198.262 1.611 10 0 ADAERN Cc1cc(OCCO)cc(C)c1C=O 118436862 572833847 /nfs/dbraw/zinc/83/38/47/572833847.db2.gz BDHLGAJFJAGQGL-UHFFFAOYSA-N 0 0 194.230 1.487 10 0 ADAERN CCc1ccc(N(C)CC(N)=O)cc1 49988644 572833848 /nfs/dbraw/zinc/83/38/48/572833848.db2.gz URKRMIPAGPGNTA-UHFFFAOYSA-N 0 0 192.262 1.171 10 0 ADAERN Cc1cc(C[NH+](C)C)n(C)c1C(=O)[O-] 75393816 572833857 /nfs/dbraw/zinc/83/38/57/572833857.db2.gz SYSABMLSBRCEJG-UHFFFAOYSA-N 0 0 196.250 1.093 10 0 ADAERN O=Cc1ccc(Cc2cn[nH]c2)s1 75386999 572833867 /nfs/dbraw/zinc/83/38/67/572833867.db2.gz GJGQBDFIJMRPSE-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN Cc1[nH]c(C(C)C)nc1C(=O)[O-] 71494014 572834303 /nfs/dbraw/zinc/83/43/03/572834303.db2.gz LWXBPQJXKNSSEZ-UHFFFAOYSA-N 0 0 168.196 1.540 10 0 ADAERN Cc1ncccc1Cn1ccnc1C#N 380117043 572833913 /nfs/dbraw/zinc/83/39/13/572833913.db2.gz UBOIJLVUERFFFY-UHFFFAOYSA-N 0 0 198.229 1.507 10 0 ADAERN Cc1nc(C(C)C)[nH]c1CC(=O)[O-] 71494016 572833996 /nfs/dbraw/zinc/83/39/96/572833996.db2.gz VVOVLDRNQNWVKR-UHFFFAOYSA-N 0 0 182.223 1.469 10 0 ADAERN C[C@@H](N=[S@@](C)(N)=O)C1CCCC1 404521823 572834024 /nfs/dbraw/zinc/83/40/24/572834024.db2.gz ODINRFLJOGQKFE-JMCQJSRRSA-N 0 0 190.312 1.537 10 0 ADAERN CC(=O)c1cc2c[nH][nH]c-2n1 75393397 572834074 /nfs/dbraw/zinc/83/40/74/572834074.db2.gz USBNGSZBYCAODE-UHFFFAOYSA-N 0 0 149.153 1.094 10 0 ADAERN Cc1ccc(CC(=O)CO)cc1 71495747 572834116 /nfs/dbraw/zinc/83/41/16/572834116.db2.gz QUQIYDYEUFUYOE-UHFFFAOYSA-N 0 0 164.204 1.099 10 0 ADAERN CC(C)/C=C\C(=O)NCC(F)(F)F 308142866 572834168 /nfs/dbraw/zinc/83/41/68/572834168.db2.gz JQWMPMOQJOHCAX-ARJAWSKDSA-N 0 0 195.184 1.877 10 0 ADAERN CC(C)Cc1ncc(N)o1 71495278 572834259 /nfs/dbraw/zinc/83/42/59/572834259.db2.gz AONROEMSCAULSQ-UHFFFAOYSA-N 0 0 140.186 1.455 10 0 ADAERN [NH3+][C@@H]1CCC[C@@H](CCCC(=O)[O-])C1 238582350 572834380 /nfs/dbraw/zinc/83/43/80/572834380.db2.gz HZKRURWKFZCHEA-DTWKUNHWSA-N 0 0 185.267 1.759 10 0 ADAERN Cc1cc2c(cc1C)C(=O)NCC2 71494631 572834398 /nfs/dbraw/zinc/83/43/98/572834398.db2.gz JSJWVMQXHQWPCG-UHFFFAOYSA-N 0 0 175.231 1.589 10 0 ADAERN OCCCC[C@H]1CCCOC1 118277674 572834411 /nfs/dbraw/zinc/83/44/11/572834411.db2.gz LSNUFVBCJRCYIJ-VIFPVBQESA-N 0 0 158.241 1.576 10 0 ADAERN C[C@@H]1OCC[NH2+][C@@H]1c1ccccc1 71497314 572834517 /nfs/dbraw/zinc/83/45/17/572834517.db2.gz YCMKNJLSQACMTL-ONGXEEELSA-N 0 0 177.247 1.736 10 0 ADAERN CC(=O)c1onc(CC(C)C)c1N 75386321 572834452 /nfs/dbraw/zinc/83/44/52/572834452.db2.gz SYFPDFXBFQJVLZ-UHFFFAOYSA-N 0 0 182.223 1.658 10 0 ADAERN CC(=O)c1csc(N)c1 75387418 572834457 /nfs/dbraw/zinc/83/44/57/572834457.db2.gz NFJGDVBKECDDKA-UHFFFAOYSA-N 0 0 141.195 1.533 10 0 ADAERN CC(=O)c1cc2cn(C)[nH]c-2n1 75393399 572834475 /nfs/dbraw/zinc/83/44/75/572834475.db2.gz BWSOJXYWNCWFHP-UHFFFAOYSA-N 0 0 163.180 1.104 10 0 ADAERN CCc1ccc(N(C)C(N)=S)cc1 49987179 572834505 /nfs/dbraw/zinc/83/45/05/572834505.db2.gz PEAJINUYMPHUPN-UHFFFAOYSA-N 0 0 194.303 1.929 10 0 ADAERN C/C=C/C(=O)NCC[C@@H]1CCCO1 85907989 572834486 /nfs/dbraw/zinc/83/44/86/572834486.db2.gz NTHLXAYCFZSCMK-LXOKAJLYSA-N 0 0 183.251 1.248 10 0 ADAERN OCCC[C@@H](O)CCCC(F)F 687932806 572834578 /nfs/dbraw/zinc/83/45/78/572834578.db2.gz KOAPYJTVAZHOSL-ZETCQYMHSA-N 0 0 182.210 1.555 10 0 ADAERN Nc1ccc(C(=O)c2cn[nH]c2)s1 75387365 572834645 /nfs/dbraw/zinc/83/46/45/572834645.db2.gz FFWOATUEVSHWFL-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN Nc1cc(C(=O)c2ncco2)cs1 75387552 572834663 /nfs/dbraw/zinc/83/46/63/572834663.db2.gz VDFGGNLVJWGLBX-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN Cc1cc2c(cc1F)CCNC2=O 71494636 572834731 /nfs/dbraw/zinc/83/47/31/572834731.db2.gz LNJHZWFMGNMGPU-UHFFFAOYSA-N 0 0 179.194 1.420 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)CC1CCC1 236558152 572834767 /nfs/dbraw/zinc/83/47/67/572834767.db2.gz MJIGGMLPNKTPHF-ZJUUUORDSA-N 0 0 170.252 1.308 10 0 ADAERN CCCN(OC)C(=O)C(C)(C)OC 308142474 572834775 /nfs/dbraw/zinc/83/47/75/572834775.db2.gz MDISCMDASMWTGZ-UHFFFAOYSA-N 0 0 189.255 1.211 10 0 ADAERN Cc1cccc(N(C)CC(N)=S)c1 49986649 572834802 /nfs/dbraw/zinc/83/48/02/572834802.db2.gz KHOGSWUTOFAEDE-UHFFFAOYSA-N 0 0 194.303 1.717 10 0 ADAERN CCc1ccc2c(c1)CCNC2=O 71494626 572834925 /nfs/dbraw/zinc/83/49/25/572834925.db2.gz BOPCYDYWPSLJGK-UHFFFAOYSA-N 0 0 175.231 1.535 10 0 ADAERN COc1ccc2c(c1O)N[C@@H](C)C2 713764294 572834929 /nfs/dbraw/zinc/83/49/29/572834929.db2.gz XVRYYXVBUCJXPW-LURJTMIESA-N 0 0 179.219 1.757 10 0 ADAERN O[C@H](CC1CC1)[C@H](O)c1ccccc1 236556626 572834933 /nfs/dbraw/zinc/83/49/33/572834933.db2.gz OLOQZFYNQXHCDT-VXGBXAGGSA-N 0 0 192.258 1.881 10 0 ADAERN Cc1[nH+]cc(CO)c(C)c1[S-] 56645550 572834974 /nfs/dbraw/zinc/83/49/74/572834974.db2.gz IUEZPJUWOCRAAV-UHFFFAOYSA-N 0 0 169.249 1.479 10 0 ADAERN COC(=O)[C@@H]1CC(=O)[C@@H]2CCCC[C@H]21 250433992 572834993 /nfs/dbraw/zinc/83/49/93/572834993.db2.gz VDTXZCIJKKWAJL-IWSPIJDZSA-N 0 0 196.246 1.555 10 0 ADAERN CC(=O)c1sc2nnc(C)n2c1C 75386530 572835013 /nfs/dbraw/zinc/83/50/13/572835013.db2.gz HSWUIQWZHKAKKK-UHFFFAOYSA-N 0 0 195.247 1.610 10 0 ADAERN CCc1cnc(CNCCCF)o1 231645732 572835033 /nfs/dbraw/zinc/83/50/33/572835033.db2.gz KFKXVPSZNOEEDK-UHFFFAOYSA-N 0 0 186.230 1.686 10 0 ADAERN Cc1cc(C)cc(N(C)C(N)=S)c1 49987181 572835036 /nfs/dbraw/zinc/83/50/36/572835036.db2.gz QNPGGUIFVZDRFP-UHFFFAOYSA-N 0 0 194.303 1.983 10 0 ADAERN c1cc2nc3c(nc2cn1)CCCC3 118454045 572835049 /nfs/dbraw/zinc/83/50/49/572835049.db2.gz YJMZYVQOGGLBTM-UHFFFAOYSA-N 0 0 185.230 1.904 10 0 ADAERN Cc1ccc(N(C)C(N)=S)c(C)c1 49987182 572835051 /nfs/dbraw/zinc/83/50/51/572835051.db2.gz AUBWHUBEZFDBES-UHFFFAOYSA-N 0 0 194.303 1.983 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1 299891303 572835071 /nfs/dbraw/zinc/83/50/71/572835071.db2.gz MOOAZCLQCNHHDJ-IVZWLZJFSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@H](N=[S@@](C)(N)=O)C1CCCC1 404521824 572835093 /nfs/dbraw/zinc/83/50/93/572835093.db2.gz ODINRFLJOGQKFE-JVXZTZIISA-N 0 0 190.312 1.537 10 0 ADAERN CC(=O)c1onc(-c2ccco2)c1N 75386357 572835174 /nfs/dbraw/zinc/83/51/74/572835174.db2.gz YZMNEWUSLWRFTM-UHFFFAOYSA-N 0 0 192.174 1.719 10 0 ADAERN NC(=S)CCOCC1CCC1 689577588 572835185 /nfs/dbraw/zinc/83/51/85/572835185.db2.gz SQYDDJITGWSJNS-UHFFFAOYSA-N 0 0 173.281 1.479 10 0 ADAERN CCCOC(=O)CSCCOC 85908061 572835187 /nfs/dbraw/zinc/83/51/87/572835187.db2.gz KOBFFLMNXZCLJF-UHFFFAOYSA-N 0 0 192.280 1.319 10 0 ADAERN CCCOCCOC(=O)CCC 118429267 572835230 /nfs/dbraw/zinc/83/52/30/572835230.db2.gz IFXBKJUVEBVAPH-UHFFFAOYSA-N 0 0 174.240 1.756 10 0 ADAERN CO[C@H]1CCC[C@](O)(C2CC2)C1 234864816 572835236 /nfs/dbraw/zinc/83/52/36/572835236.db2.gz RBUMWMQICCMHRY-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN CC(=O)c1cc2c(C)[nH][nH]c-2n1 75393398 572835241 /nfs/dbraw/zinc/83/52/41/572835241.db2.gz BQJHYXVONDVWLO-UHFFFAOYSA-N 0 0 163.180 1.402 10 0 ADAERN C/C=C/C(=O)NCC[C@H]1CCCO1 85907992 572835242 /nfs/dbraw/zinc/83/52/42/572835242.db2.gz NTHLXAYCFZSCMK-HDMKULJXSA-N 0 0 183.251 1.248 10 0 ADAERN CC(=O)c1onc(C2CC2)c1N 75386323 572835272 /nfs/dbraw/zinc/83/52/72/572835272.db2.gz ZMHXHCLEDOJZMA-UHFFFAOYSA-N 0 0 166.180 1.337 10 0 ADAERN CC(=O)OCCCOC(C)C 118441661 572835279 /nfs/dbraw/zinc/83/52/79/572835279.db2.gz DOGVQYFCTKZHEC-UHFFFAOYSA-N 0 0 160.213 1.365 10 0 ADAERN CCSCOc1cccc[n+]1[O-] 308143556 572835302 /nfs/dbraw/zinc/83/53/02/572835302.db2.gz ISPFUYQZIDLMNF-UHFFFAOYSA-N 0 0 185.248 1.409 10 0 ADAERN CO[C@H]1CCCC[C@]1(O)C1CC1 234869448 572835307 /nfs/dbraw/zinc/83/53/07/572835307.db2.gz DQPXLBBARFNIES-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CCc1ccc(N(C)C(N)=O)cc1 49987326 572835326 /nfs/dbraw/zinc/83/53/26/572835326.db2.gz MPEDGZHBSNBPSY-UHFFFAOYSA-N 0 0 178.235 1.764 10 0 ADAERN COCCCPCCCOC 118386070 572835329 /nfs/dbraw/zinc/83/53/29/572835329.db2.gz PQXBFLMXEYQDBG-UHFFFAOYSA-N 0 0 178.212 1.738 10 0 ADAERN CC(C)C[C@@H](O)CN(C)CC(F)F 308142968 572835689 /nfs/dbraw/zinc/83/56/89/572835689.db2.gz JWPOWGXSWMDWCS-MRVPVSSYSA-N 0 0 195.253 1.590 10 0 ADAERN Cc1cc(C[NH+](C)C)[nH]c1C(=O)[O-] 75393807 572835357 /nfs/dbraw/zinc/83/53/57/572835357.db2.gz NMRRSNQYPFBLQT-UHFFFAOYSA-N 0 0 182.223 1.083 10 0 ADAERN C[NH2+]C(C(=O)[O-])(C(C)C)C(C)C 307955150 572835371 /nfs/dbraw/zinc/83/53/71/572835371.db2.gz DVVQTXKZTHLQTQ-UHFFFAOYSA-N 0 0 173.256 1.341 10 0 ADAERN C[C@@H](O)CCCN[C@H](C)C(F)(F)F 308143255 572835390 /nfs/dbraw/zinc/83/53/90/572835390.db2.gz ACLRTENCLSUVND-RNFRBKRXSA-N 0 0 199.216 1.688 10 0 ADAERN Nc1ccc(C(=O)c2ccon2)s1 75387357 572835695 /nfs/dbraw/zinc/83/56/95/572835695.db2.gz VJYZVOFZPKYLFH-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN CC(=O)Cc1csc2nnc(C)n12 75386529 572835459 /nfs/dbraw/zinc/83/54/59/572835459.db2.gz BBTLHGCZBPMQFJ-UHFFFAOYSA-N 0 0 195.247 1.231 10 0 ADAERN CC(=O)Cc1csc2cnc(C)n12 75386690 572835486 /nfs/dbraw/zinc/83/54/86/572835486.db2.gz ROUCFCMYQGANQD-UHFFFAOYSA-N 0 0 194.259 1.836 10 0 ADAERN Cc1nc(N)cc(-c2ccn(C)c2)n1 71500201 572835497 /nfs/dbraw/zinc/83/54/97/572835497.db2.gz CAESVXMQMROFGA-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]1CC[N@H+](CC)C1 714347283 572835505 /nfs/dbraw/zinc/83/55/05/572835505.db2.gz LQUDKUFPKYURFR-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN CCOC(=O)Cc1cc[nH]c1C 118400451 572835506 /nfs/dbraw/zinc/83/55/06/572835506.db2.gz JWPBOIKLUBKJGU-UHFFFAOYSA-N 0 0 167.208 1.429 10 0 ADAERN CCC(=O)c1csc(N)c1 75387422 572835535 /nfs/dbraw/zinc/83/55/35/572835535.db2.gz MNLLIZYWIMULRG-UHFFFAOYSA-N 0 0 155.222 1.923 10 0 ADAERN CC(C)OC(=O)NCCC(F)F 308143060 572835674 /nfs/dbraw/zinc/83/56/74/572835674.db2.gz ILIUHVCENKUNIU-UHFFFAOYSA-N 0 0 181.182 1.776 10 0 ADAERN CC(C)C[C@H](O)CN(C)CC(F)F 308142969 572835540 /nfs/dbraw/zinc/83/55/40/572835540.db2.gz JWPOWGXSWMDWCS-QMMMGPOBSA-N 0 0 195.253 1.590 10 0 ADAERN CCC[C@]1(CC)NNC(=O)[C@@H]1CC 714347698 572835556 /nfs/dbraw/zinc/83/55/56/572835556.db2.gz QGSNNAORSSAUSY-WPRPVWTQSA-N 0 0 184.283 1.596 10 0 ADAERN Cc1ccccc1N(C)CC(N)=S 49986631 572835558 /nfs/dbraw/zinc/83/55/58/572835558.db2.gz YALFKHYWXOPCKZ-UHFFFAOYSA-N 0 0 194.303 1.717 10 0 ADAERN COc1ccc2c(c1O)N[C@H](C)C2 713764295 572835571 /nfs/dbraw/zinc/83/55/71/572835571.db2.gz XVRYYXVBUCJXPW-ZCFIWIBFSA-N 0 0 179.219 1.757 10 0 ADAERN CC(=O)c1cc2co[nH]c-2n1 75393395 572835578 /nfs/dbraw/zinc/83/55/78/572835578.db2.gz DYCRWFLCLGAZNV-UHFFFAOYSA-N 0 0 150.137 1.359 10 0 ADAERN O=Cc1sccc1Cc1cn[nH]c1 75393095 572835657 /nfs/dbraw/zinc/83/56/57/572835657.db2.gz PKRFJYKLPNPFBQ-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN Nc1cc(C(=O)c2cn[nH]c2)cs1 75387535 572835734 /nfs/dbraw/zinc/83/57/34/572835734.db2.gz INBZSIIOIFVHLP-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN Cc1[nH]c(-c2ccncc2)nc1C=O 71499996 572835739 /nfs/dbraw/zinc/83/57/39/572835739.db2.gz QBZBOLWYIJZVIT-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN CO[C@H]1CCCC[C@]1(O)C(F)(F)F 234868400 572835766 /nfs/dbraw/zinc/83/57/66/572835766.db2.gz HXCZEKAZPHTHIU-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN Nc1cc(C(=O)c2cc[nH]n2)cs1 75387565 572835873 /nfs/dbraw/zinc/83/58/73/572835873.db2.gz XYHQTYYJRMEENN-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN CC(C)(O)COc1ccc(N)cc1F 118357794 572835891 /nfs/dbraw/zinc/83/58/91/572835891.db2.gz MRSFZTKCPAYPAQ-UHFFFAOYSA-N 0 0 199.225 1.558 10 0 ADAERN Cc1ccc([C@@H](O)CCO)cc1C 71498190 572835943 /nfs/dbraw/zinc/83/59/43/572835943.db2.gz ZMQPLNAPPCNPTE-NSHDSACASA-N 0 0 180.247 1.719 10 0 ADAERN Nc1ccc(C(=O)c2cnoc2)s1 75387362 572835959 /nfs/dbraw/zinc/83/59/59/572835959.db2.gz RPPSYKJNXFRDKW-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN C[C@H](N=[S@](C)(N)=O)C1CCCC1 404521826 572835973 /nfs/dbraw/zinc/83/59/73/572835973.db2.gz ODINRFLJOGQKFE-MADCSZMMSA-N 0 0 190.312 1.537 10 0 ADAERN Nc1ccc(C(=O)c2cc[nH]n2)s1 75387392 572835977 /nfs/dbraw/zinc/83/59/77/572835977.db2.gz LAMHAYYHMCTJME-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN CC[C@@H](C)C(=O)OCCC(C)=O 307956329 572835990 /nfs/dbraw/zinc/83/59/90/572835990.db2.gz RRIXEDJSVIJVHR-SSDOTTSWSA-N 0 0 172.224 1.555 10 0 ADAERN C[C@@H](O)C(=O)OCCC(C)(C)C 308143015 572836035 /nfs/dbraw/zinc/83/60/35/572836035.db2.gz IIIMHTXVKFWXTC-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN CCC=CC(=O)NC1=NO[C@@H](C)C1 388326900 572836063 /nfs/dbraw/zinc/83/60/63/572836063.db2.gz ZZUMWKRDWRMMFU-MJSGSUOKSA-N 0 0 182.223 1.191 10 0 ADAERN CC(=O)CCOC(=O)C1(C)CC1 307956908 572836109 /nfs/dbraw/zinc/83/61/09/572836109.db2.gz GNTWJCBDIDELNC-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN c1ccc(CNN2CCCC2)cc1 118448469 572836128 /nfs/dbraw/zinc/83/61/28/572836128.db2.gz OKAYLLGQULCTNO-UHFFFAOYSA-N 0 0 176.263 1.787 10 0 ADAERN CCc1cnn2c(C)cc(C)nc12 71475613 572836136 /nfs/dbraw/zinc/83/61/36/572836136.db2.gz SISUEDVRMAZWDE-UHFFFAOYSA-N 0 0 175.235 1.909 10 0 ADAERN Cc1cccc(N(C)C(N)=S)c1 49987184 572836152 /nfs/dbraw/zinc/83/61/52/572836152.db2.gz PGQINJXSNCDNAG-UHFFFAOYSA-N 0 0 180.276 1.675 10 0 ADAERN CCC[C@@H](C(=O)OC)C(=O)OCC 26892099 572837110 /nfs/dbraw/zinc/83/71/10/572837110.db2.gz MJDNTHAXLBHFFZ-ZETCQYMHSA-N 0 0 188.223 1.139 10 0 ADAERN C/C=C\COC(=O)c1cnco1 307956272 572836165 /nfs/dbraw/zinc/83/61/65/572836165.db2.gz RMTQUBMWTVIXHU-IHWYPQMZSA-N 0 0 167.164 1.408 10 0 ADAERN Cc1cc(N)nc(-c2ccn(C)c2)n1 71500202 572836167 /nfs/dbraw/zinc/83/61/67/572836167.db2.gz JXDGRJHEXVPTAY-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C/C=C/COC(=O)c1cnco1 307956273 572836172 /nfs/dbraw/zinc/83/61/72/572836172.db2.gz RMTQUBMWTVIXHU-NSCUHMNNSA-N 0 0 167.164 1.408 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](C[NH+]2CCCC2)C1 107140554 572836176 /nfs/dbraw/zinc/83/61/76/572836176.db2.gz SOFLGCFAGUFDOC-ZJUUUORDSA-N 0 0 197.278 1.583 10 0 ADAERN Nc1cc(C(=O)c2cc[nH]c2)cs1 75387491 572836194 /nfs/dbraw/zinc/83/61/94/572836194.db2.gz YEOPUQXXJKYDGV-UHFFFAOYSA-N 0 0 192.243 1.889 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](C[NH+]2CCCC2)C1 107140557 572836616 /nfs/dbraw/zinc/83/66/16/572836616.db2.gz SOFLGCFAGUFDOC-UWVGGRQHSA-N 0 0 197.278 1.583 10 0 ADAERN CO[C@H]1CCCC[C@]1(O)C(C)C 234868328 572836241 /nfs/dbraw/zinc/83/62/41/572836241.db2.gz LIHAHSWJMSTCEJ-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN c1c[nH]c(-c2cnsc2)n1 199086983 572836248 /nfs/dbraw/zinc/83/62/48/572836248.db2.gz KSSUTSADEBWSKL-UHFFFAOYSA-N 0 0 151.194 1.533 10 0 ADAERN Cc1ccc(C)c(CCN(C)N)c1 71497619 572836273 /nfs/dbraw/zinc/83/62/73/572836273.db2.gz RJURLDWFPRKRAS-UHFFFAOYSA-N 0 0 178.279 1.651 10 0 ADAERN COc1cccn([C@H](C)C(C)=O)c1=O 71502366 572836296 /nfs/dbraw/zinc/83/62/96/572836296.db2.gz RCYDBGOSRRGZFX-SSDOTTSWSA-N 0 0 195.218 1.007 10 0 ADAERN Nc1ccc(C(=O)c2cnco2)s1 75387415 572836323 /nfs/dbraw/zinc/83/63/23/572836323.db2.gz MOMDNUTWQLRYMD-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN Cc1cc([C@@H](O)CCO)ccc1F 71499507 572837651 /nfs/dbraw/zinc/83/76/51/572837651.db2.gz CVRKOVRJDWEIEU-JTQLQIEISA-N 0 0 184.210 1.550 10 0 ADAERN CCN1Cc2[nH]c(C(C)=O)c(C)c2C1 75393750 572836385 /nfs/dbraw/zinc/83/63/85/572836385.db2.gz JQPQUZLRLIDBQO-UHFFFAOYSA-N 0 0 192.262 1.861 10 0 ADAERN CCC(=O)O[C@@H](C)[C@@H]1CCCO1 307955818 572836401 /nfs/dbraw/zinc/83/64/01/572836401.db2.gz RHFCDTVPYHPCLS-YUMQZZPRSA-N 0 0 172.224 1.507 10 0 ADAERN CCOc1cccn(CC)c1=O 71501959 572836403 /nfs/dbraw/zinc/83/64/03/572836403.db2.gz RYJYFWXTQDVYKC-UHFFFAOYSA-N 0 0 167.208 1.267 10 0 ADAERN Nc1ccc(C(=O)c2cc[nH]c2)s1 75387329 572836405 /nfs/dbraw/zinc/83/64/05/572836405.db2.gz LCECRCZCSNXXGP-UHFFFAOYSA-N 0 0 192.243 1.889 10 0 ADAERN Cc1[nH]c2ccccc2c1[C@@H](O)CO 71505716 572836420 /nfs/dbraw/zinc/83/64/20/572836420.db2.gz JMRBJLBGTKAUTJ-JTQLQIEISA-N 0 0 191.230 1.502 10 0 ADAERN CC(=O)c1onc(C(C)(C)C)c1N 75386313 572836424 /nfs/dbraw/zinc/83/64/24/572836424.db2.gz GOFVUHSRKAFLLT-UHFFFAOYSA-N 0 0 182.223 1.757 10 0 ADAERN OCCC[C@H](O)CCCC(F)F 687932803 572836462 /nfs/dbraw/zinc/83/64/62/572836462.db2.gz KOAPYJTVAZHOSL-SSDOTTSWSA-N 0 0 182.210 1.555 10 0 ADAERN CCc1noc(C(C)=O)c1N 75386316 572836467 /nfs/dbraw/zinc/83/64/67/572836467.db2.gz CTOLGZVRCJBCKE-UHFFFAOYSA-N 0 0 154.169 1.022 10 0 ADAERN Cc1[nH]c2ccccc2c1[C@H](O)CO 71505715 572836474 /nfs/dbraw/zinc/83/64/74/572836474.db2.gz JMRBJLBGTKAUTJ-SNVBAGLBSA-N 0 0 191.230 1.502 10 0 ADAERN C[C@@H](C/C=C\C(C)(C)O)CCO 199123293 572836494 /nfs/dbraw/zinc/83/64/94/572836494.db2.gz VXRCLLPWPPTREM-WYDVEAGSSA-N 0 0 172.268 1.722 10 0 ADAERN O=Cc1cc(Cc2cc[nH]n2)cs1 75393012 572836532 /nfs/dbraw/zinc/83/65/32/572836532.db2.gz JEIUATGQWPLFGJ-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN Nc1nc(Cc2ccncc2)co1 118349840 572836536 /nfs/dbraw/zinc/83/65/36/572836536.db2.gz QLCGALPAIUASPM-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN OCC[C@@H](O)c1ccc(F)c(F)c1 71500100 572836540 /nfs/dbraw/zinc/83/65/40/572836540.db2.gz FUBJAENGOHREEY-SECBINFHSA-N 0 0 188.173 1.381 10 0 ADAERN CC(=O)c1cc2c(C)o[nH]c-2n1 75393396 572836549 /nfs/dbraw/zinc/83/65/49/572836549.db2.gz QYEOBJSIEJQFSN-UHFFFAOYSA-N 0 0 164.164 1.667 10 0 ADAERN O=Cc1ncn2c1Cc1ccccc1C2 118384260 572836567 /nfs/dbraw/zinc/83/65/67/572836567.db2.gz ZEWIOHZQOUAVQQ-UHFFFAOYSA-N 0 0 198.225 1.648 10 0 ADAERN CC(=O)[C@H]1Cc2c(N)ccc(C)c2O1 75396904 572837537 /nfs/dbraw/zinc/83/75/37/572837537.db2.gz GFKCYWPPIPQBTH-SNVBAGLBSA-N 0 0 191.230 1.470 10 0 ADAERN O=Cc1ncn2c1CCc1ncccc1-2 118379366 572836583 /nfs/dbraw/zinc/83/65/83/572836583.db2.gz WJYOGOWUFMSTPN-UHFFFAOYSA-N 0 0 199.213 1.178 10 0 ADAERN CC(C)CN(C)C(=O)c1cnoc1 308143227 572836584 /nfs/dbraw/zinc/83/65/84/572836584.db2.gz ABDHUXIGYMXPST-UHFFFAOYSA-N 0 0 182.223 1.403 10 0 ADAERN CCOC(=O)c1cccc(CON)c1 77252473 572836594 /nfs/dbraw/zinc/83/65/94/572836594.db2.gz YPXUDUKZYNMPSA-UHFFFAOYSA-N 0 0 195.218 1.254 10 0 ADAERN CC(=O)c1[nH]c(CN(C)C)cc1C 75393797 572836602 /nfs/dbraw/zinc/83/66/02/572836602.db2.gz COCGPOKHUNKVSQ-UHFFFAOYSA-N 0 0 180.251 1.587 10 0 ADAERN O=Cc1cc(Cc2cn[nH]c2)cs1 75392999 572836703 /nfs/dbraw/zinc/83/67/03/572836703.db2.gz IIKKQLVWAXIXNU-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN CN(CC(N)=S)c1ccccc1F 50004277 572836707 /nfs/dbraw/zinc/83/67/07/572836707.db2.gz HQHWNQWUYMSRHX-UHFFFAOYSA-N 0 0 198.266 1.548 10 0 ADAERN COC(=O)OCc1cccc(OC)c1 400037723 572836710 /nfs/dbraw/zinc/83/67/10/572836710.db2.gz XJUIHAQNPPSYQU-UHFFFAOYSA-N 0 0 196.202 1.978 10 0 ADAERN C/C=C/C[NH2+]C[C@@H](C)CC(=O)[O-] 307956042 572836716 /nfs/dbraw/zinc/83/67/16/572836716.db2.gz FPEKEIXDEFKSOW-RTMURIBGSA-N 0 0 171.240 1.263 10 0 ADAERN CC(C)OC(=O)CC1OCCCO1 308142978 572836717 /nfs/dbraw/zinc/83/67/17/572836717.db2.gz JXWGLOULGLNTQV-UHFFFAOYSA-N 0 0 188.223 1.091 10 0 ADAERN Cc1cc(-c2ccn(C)c2)nc(N)n1 71500195 572836829 /nfs/dbraw/zinc/83/68/29/572836829.db2.gz ZWJJPUQRZCGXEI-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(=O)[C@@H](C)n1c(C)cccc1=O 71505697 572836928 /nfs/dbraw/zinc/83/69/28/572836928.db2.gz IUKZMQHMWNFMBG-MRVPVSSYSA-N 0 0 179.219 1.307 10 0 ADAERN CCC[C@H](C)[C@@H](C)OC(=O)CO 307956268 572836939 /nfs/dbraw/zinc/83/69/39/572836939.db2.gz RMODKMYNDMTDDH-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN CCCNC(=S)NNC(C)(C)C 307956236 572836968 /nfs/dbraw/zinc/83/69/68/572836968.db2.gz RJTQMYRRQXDZMN-UHFFFAOYSA-N 0 0 189.328 1.164 10 0 ADAERN OCC[C@H](O)c1cc(F)ccc1F 71500098 572836985 /nfs/dbraw/zinc/83/69/85/572836985.db2.gz JJWDEUXKQSUBIG-VIFPVBQESA-N 0 0 188.173 1.381 10 0 ADAERN C/C=C\C(=O)OCc1cnoc1 307955752 572837044 /nfs/dbraw/zinc/83/70/44/572837044.db2.gz RCJKKPIPPJMBDH-IHWYPQMZSA-N 0 0 167.164 1.294 10 0 ADAERN C[C@@H]1C[N@H+]([C@@H](C)CCC(=O)[O-])C[C@@H]1C 86010571 572837069 /nfs/dbraw/zinc/83/70/69/572837069.db2.gz JSSSLDZMTGTISJ-AEJSXWLSSA-N 0 0 199.294 1.828 10 0 ADAERN OCC[C@H](O)c1ccc(F)c(F)c1 71500102 572837072 /nfs/dbraw/zinc/83/70/72/572837072.db2.gz FUBJAENGOHREEY-VIFPVBQESA-N 0 0 188.173 1.381 10 0 ADAERN COC(C)(C)C[C@@H]1C[C@H](O)CCO1 234613665 572837077 /nfs/dbraw/zinc/83/70/77/572837077.db2.gz RSZSJYNIIOIMBV-BDAKNGLRSA-N 0 0 188.267 1.341 10 0 ADAERN CC(=O)[C@H](C)N1CC[C@H](F)C1 220060785 572837089 /nfs/dbraw/zinc/83/70/89/572837089.db2.gz OMRPNNKFEXMWED-XPUUQOCRSA-N 0 0 159.204 1.008 10 0 ADAERN CCC(=O)[C@@H](C)NC(=O)N1CCCC1 85960948 572837105 /nfs/dbraw/zinc/83/71/05/572837105.db2.gz UQDMNLAEQMFZPO-MRVPVSSYSA-N 0 0 198.266 1.159 10 0 ADAERN Cc1nc(-c2ccco2)ncc1C=O 71500118 572837106 /nfs/dbraw/zinc/83/71/06/572837106.db2.gz FCMLAPSLALKNRQ-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CCCCn1c(C)cccc1=O 71505686 572837140 /nfs/dbraw/zinc/83/71/40/572837140.db2.gz TVSJNDNCKHMMCE-UHFFFAOYSA-N 0 0 165.236 1.957 10 0 ADAERN Cc1cccc(=O)n1C(C)C 71505691 572837142 /nfs/dbraw/zinc/83/71/42/572837142.db2.gz YWVJAYARFABVCD-UHFFFAOYSA-N 0 0 151.209 1.738 10 0 ADAERN Cc1ccc(OCC2CC2)c(C=O)n1 85973462 572837164 /nfs/dbraw/zinc/83/71/64/572837164.db2.gz LYFZJINHZUYCBT-UHFFFAOYSA-N 0 0 191.230 1.991 10 0 ADAERN C/C=C\C[NH2+]C[C@@H](C)CC(=O)[O-] 307956045 572837175 /nfs/dbraw/zinc/83/71/75/572837175.db2.gz FPEKEIXDEFKSOW-VEMNSZJBSA-N 0 0 171.240 1.263 10 0 ADAERN CCCCNc1ncncc1OC 308143443 572837210 /nfs/dbraw/zinc/83/72/10/572837210.db2.gz MNPZLKUNTFVNKN-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN OC[C@@H](O)c1ccc(Cl)s1 71497663 572837217 /nfs/dbraw/zinc/83/72/17/572837217.db2.gz FCJXQNNAFMUTMB-SCSAIBSYSA-N 0 0 178.640 1.427 10 0 ADAERN CN(C)c1c(CN)noc1C(C)(C)C 75397662 572837232 /nfs/dbraw/zinc/83/72/32/572837232.db2.gz HPQKNNWZQZRMST-UHFFFAOYSA-N 0 0 197.282 1.497 10 0 ADAERN COCC1(C[C@H](C)NN)CCC1 307956101 572837239 /nfs/dbraw/zinc/83/72/39/572837239.db2.gz FRZCPSZHBKPLAE-QMMMGPOBSA-N 0 0 172.272 1.045 10 0 ADAERN C[C@H]1C[C@H]1C(=O)N[C@H](C)CC1CC1 308142958 572837240 /nfs/dbraw/zinc/83/72/40/572837240.db2.gz JVWVQRMEOHXIAF-QXFUBDJGSA-N 0 0 181.279 1.947 10 0 ADAERN CCCn1c(C)cccc1=O 71505685 572837251 /nfs/dbraw/zinc/83/72/51/572837251.db2.gz PEPBVSVSPPGXQE-UHFFFAOYSA-N 0 0 151.209 1.567 10 0 ADAERN OCC[C@@H](O)c1cc(F)ccc1F 71500095 572837263 /nfs/dbraw/zinc/83/72/63/572837263.db2.gz JJWDEUXKQSUBIG-SECBINFHSA-N 0 0 188.173 1.381 10 0 ADAERN CC(=O)[C@@H](C)N(C)CCOC(C)C 87978600 572837264 /nfs/dbraw/zinc/83/72/64/572837264.db2.gz RTZGLSWUINTVGK-SECBINFHSA-N 0 0 187.283 1.321 10 0 ADAERN CCOC(=O)c1ccc(CON)cc1 77252470 572837282 /nfs/dbraw/zinc/83/72/82/572837282.db2.gz UIXKGFDWBQGSLG-UHFFFAOYSA-N 0 0 195.218 1.254 10 0 ADAERN CC(=O)COC(=O)CC1(C)CC1 307956119 572837285 /nfs/dbraw/zinc/83/72/85/572837285.db2.gz FTWFDADRUWITLJ-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN C/C=C/C(=O)OCc1cnoc1 307955753 572837298 /nfs/dbraw/zinc/83/72/98/572837298.db2.gz RCJKKPIPPJMBDH-NSCUHMNNSA-N 0 0 167.164 1.294 10 0 ADAERN COCC1(C[C@@H](C)NN)CCC1 307956100 572837303 /nfs/dbraw/zinc/83/73/03/572837303.db2.gz FRZCPSZHBKPLAE-MRVPVSSYSA-N 0 0 172.272 1.045 10 0 ADAERN COC(C)(C)C[C@@H]1C[C@@H]1CO 234613447 572837341 /nfs/dbraw/zinc/83/73/41/572837341.db2.gz NQJCXJCSENUZPO-JGVFFNPUSA-N 0 0 158.241 1.430 10 0 ADAERN CC(=O)[C@@H]1Cc2c(ccc(N)c2C)O1 75396912 572837345 /nfs/dbraw/zinc/83/73/45/572837345.db2.gz LGDZFQTUHZVMJB-NSHDSACASA-N 0 0 191.230 1.470 10 0 ADAERN COc1ccc2c(c1)NC[C@H](C)[C@@H]2O 71480466 572837349 /nfs/dbraw/zinc/83/73/49/572837349.db2.gz KPJRBXMGYNTBDT-CPCISQLKSA-N 0 0 193.246 1.790 10 0 ADAERN COC1(c2nc(O)c(C)[nH]2)CCCC1 234613420 572837376 /nfs/dbraw/zinc/83/73/76/572837376.db2.gz DDSRSLDXTDSEAO-UHFFFAOYSA-N 0 0 196.250 1.839 10 0 ADAERN CN1C(=O)Cc2cc([C@@H]3CO3)ccc21 71500342 572837382 /nfs/dbraw/zinc/83/73/82/572837382.db2.gz ZTKAIXHTJMCGAF-JTQLQIEISA-N 0 0 189.214 1.277 10 0 ADAERN COc1ccc2c(c1N)CCS2 75397123 572837383 /nfs/dbraw/zinc/83/73/83/572837383.db2.gz GFCAHGLGJVPEQE-UHFFFAOYSA-N 0 0 181.260 1.926 10 0 ADAERN CCOc1cccn(C(C)C)c1=O 71501958 572837390 /nfs/dbraw/zinc/83/73/90/572837390.db2.gz ANJLTXFIDXOWSN-UHFFFAOYSA-N 0 0 181.235 1.828 10 0 ADAERN CCCC(=O)CN(C)CCOCC 87978541 572837394 /nfs/dbraw/zinc/83/73/94/572837394.db2.gz XBKKNRONNRRTOS-UHFFFAOYSA-N 0 0 187.283 1.324 10 0 ADAERN Cc1ccc(C)c([C@@H](O)CCO)c1 71498195 572837409 /nfs/dbraw/zinc/83/74/09/572837409.db2.gz SLPSWSSGCOOCPN-NSHDSACASA-N 0 0 180.247 1.719 10 0 ADAERN COc1ccc(N)c2c1SCC2 75397112 572837412 /nfs/dbraw/zinc/83/74/12/572837412.db2.gz GHSWOTLJSHFOFV-UHFFFAOYSA-N 0 0 181.260 1.926 10 0 ADAERN 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JPSGXEPYUZETTI-UHFFFAOYSA-N 0 0 191.190 1.278 10 0 ADAERN CC(=O)c1cc(-c2cnco2)no1 75405347 572842545 /nfs/dbraw/zinc/84/25/45/572842545.db2.gz LBWYQAPBJRVYGU-UHFFFAOYSA-N 0 0 178.147 1.532 10 0 ADAERN CCSCCNc1ncc[nH]c1=O 308149291 572843513 /nfs/dbraw/zinc/84/35/13/572843513.db2.gz PWHQNUONAHTXAJ-UHFFFAOYSA-N 0 0 199.279 1.347 10 0 ADAERN Cc1cnc(-c2c[nH]c(C=O)n2)o1 75408181 572842576 /nfs/dbraw/zinc/84/25/76/572842576.db2.gz GHPBEUNVRQIRBT-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN Cc1nc2c(o1)[C@@H](C)NC2 75405485 572842589 /nfs/dbraw/zinc/84/25/89/572842589.db2.gz YUHZGVGPJRSTQW-SCSAIBSYSA-N 0 0 138.170 1.147 10 0 ADAERN Cc1[nH]nc(-c2c[nH]c(C=O)n2)c1C 75408199 572842596 /nfs/dbraw/zinc/84/25/96/572842596.db2.gz POFCNEOCYRBFFC-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN c1nc(CNC2CC2)c(C2CC2)o1 85941597 572842601 /nfs/dbraw/zinc/84/26/01/572842601.db2.gz CBQTYZZTNLTHCV-UHFFFAOYSA-N 0 0 178.235 1.804 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[NH2+][C@H]1CC[C@H]1C 308153815 572842617 /nfs/dbraw/zinc/84/26/17/572842617.db2.gz SFCBPHOZWORGHY-XAVMHZPKSA-N 0 0 185.267 1.484 10 0 ADAERN O=Cc1nc(-c2cncs2)c[nH]1 75408209 572842624 /nfs/dbraw/zinc/84/26/24/572842624.db2.gz GBUZRJVWRUGHRJ-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN CCc1nc(C(F)(F)F)n(C)c1N 75409160 572842654 /nfs/dbraw/zinc/84/26/54/572842654.db2.gz WAUTYFIHPOVMFU-UHFFFAOYSA-N 0 0 193.172 1.584 10 0 ADAERN CCON[C@H](C)C[C@H]1CCCO1 689713924 572842670 /nfs/dbraw/zinc/84/26/70/572842670.db2.gz CZZXSEBGMIOLDP-RKDXNWHRSA-N 0 0 173.256 1.485 10 0 ADAERN O=C([O-])CC[NH2+]C/C(Cl)=C/Cl 86000600 572842673 /nfs/dbraw/zinc/84/26/73/572842673.db2.gz ACOWZQASGLPGFT-HYXAFXHYSA-N 0 0 198.049 1.370 10 0 ADAERN C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@H](C)C(=O)[O-] 308153816 572842690 /nfs/dbraw/zinc/84/26/90/572842690.db2.gz SFCBPHOZWORGHY-XGEHTFHBSA-N 0 0 185.267 1.484 10 0 ADAERN C[C@@H]1N=C(C2CCCCC2)NC1=O 235368208 572842693 /nfs/dbraw/zinc/84/26/93/572842693.db2.gz ARNXAWHZYBXOQA-ZETCQYMHSA-N 0 0 180.251 1.484 10 0 ADAERN CCCc1ocnc1CNCCOC 85942046 572842694 /nfs/dbraw/zinc/84/26/94/572842694.db2.gz IYGUDIWFSOCFKV-UHFFFAOYSA-N 0 0 198.266 1.363 10 0 ADAERN CCON(C)C(=O)C1(F)CCC1 308149641 572842698 /nfs/dbraw/zinc/84/26/98/572842698.db2.gz MELCVXWMNLCNKX-UHFFFAOYSA-N 0 0 175.203 1.289 10 0 ADAERN CC(=O)c1cc(-c2cc[nH]n2)no1 75405305 572842713 /nfs/dbraw/zinc/84/27/13/572842713.db2.gz HRMRNYMHWNFJRC-UHFFFAOYSA-N 0 0 177.163 1.267 10 0 ADAERN CCc1nc2c(o1)[C@H](C)NC2 75405490 572842718 /nfs/dbraw/zinc/84/27/18/572842718.db2.gz FTDIXBMPSCIJTL-YFKPBYRVSA-N 0 0 152.197 1.401 10 0 ADAERN CSCCNC(=O)/C=C\C1CC1 308150308 572842724 /nfs/dbraw/zinc/84/27/24/572842724.db2.gz MJTLUBGQWJMZQB-PLNGDYQASA-N 0 0 185.292 1.432 10 0 ADAERN CC(=O)c1cc(-c2c[nH]c(C)n2)no1 75405329 572842741 /nfs/dbraw/zinc/84/27/41/572842741.db2.gz OEDKKWQIYYFAIC-UHFFFAOYSA-N 0 0 191.190 1.576 10 0 ADAERN CC(=O)[C@H](C)n1ccc(C)cc1=O 71513647 572842748 /nfs/dbraw/zinc/84/27/48/572842748.db2.gz LFHZFFDRMYIYDA-QMMMGPOBSA-N 0 0 179.219 1.307 10 0 ADAERN CC(=O)c1cc(-c2cnoc2C)no1 75405301 572842773 /nfs/dbraw/zinc/84/27/73/572842773.db2.gz GTCSTRGSUYXNAY-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN Cc1cc(-c2c[nH]c(C=O)n2)no1 75408133 572842783 /nfs/dbraw/zinc/84/27/83/572842783.db2.gz PQMBLAUCMQYTEE-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCC(C)(C)C(=O)OC1COC1 307954790 572842798 /nfs/dbraw/zinc/84/27/98/572842798.db2.gz QMPVNDJBNIOCGA-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN O=Cc1nc(C2CCCC2)c[nH]1 75408077 572842805 /nfs/dbraw/zinc/84/28/05/572842805.db2.gz OEZHZJJYXLLKDM-UHFFFAOYSA-N 0 0 164.208 1.880 10 0 ADAERN Nc1cc2nc(-c3ccccc3)cn2[nH]1 118507394 572842827 /nfs/dbraw/zinc/84/28/27/572842827.db2.gz KTXHQLPQHHXODN-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN O=Cc1nc(Cc2ccco2)c[nH]1 75408258 572842839 /nfs/dbraw/zinc/84/28/39/572842839.db2.gz JWDHPJIRHXQYNS-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN O=Cc1cccc(/C=C\CCO)c1 308150825 572842847 /nfs/dbraw/zinc/84/28/47/572842847.db2.gz HQNRTDNKYNOYIW-RJRFIUFISA-N 0 0 176.215 1.895 10 0 ADAERN CC(N)=CC(=O)O[C@H](C)C(F)(F)F 118506878 572843066 /nfs/dbraw/zinc/84/30/66/572843066.db2.gz RFRXJUWYCXYWPU-CLBPYYFESA-N 0 0 197.156 1.343 10 0 ADAERN OC/C=C\CCC/C=C\C=C\CO 308150748 572842895 /nfs/dbraw/zinc/84/28/95/572842895.db2.gz HNZMYPLDEBORCL-LJOAQRKISA-N 0 0 182.263 1.810 10 0 ADAERN COCCCOc1cc(C)c(N)cn1 86003469 572842911 /nfs/dbraw/zinc/84/29/11/572842911.db2.gz MEVIQKWEJFKSBX-UHFFFAOYSA-N 0 0 196.250 1.388 10 0 ADAERN CC(=O)c1cc(-c2nc(C)no2)no1 75405357 572843514 /nfs/dbraw/zinc/84/35/14/572843514.db2.gz XKCGFZDHAXOUIY-UHFFFAOYSA-N 0 0 193.162 1.236 10 0 ADAERN Nc1c[nH]c(C(F)(F)F)n1 75408526 572842928 /nfs/dbraw/zinc/84/29/28/572842928.db2.gz XNHNGYRHGMXUMT-UHFFFAOYSA-N 0 0 151.091 1.011 10 0 ADAERN CCN(C)c1c(C(C)=O)noc1C 75397804 572842938 /nfs/dbraw/zinc/84/29/38/572842938.db2.gz UTDMUQFNVCZPEO-UHFFFAOYSA-N 0 0 182.223 1.642 10 0 ADAERN OCc1ncoc1CC[C@H]1CCCO1 85942356 572842948 /nfs/dbraw/zinc/84/29/48/572842948.db2.gz OECNUXFQTRAQPA-MRVPVSSYSA-N 0 0 197.234 1.279 10 0 ADAERN COC1(Cc2nc(C)n[nH]2)CCC1 234875365 572842979 /nfs/dbraw/zinc/84/29/79/572842979.db2.gz MAUXJXOXCQFYEI-UHFFFAOYSA-N 0 0 181.239 1.225 10 0 ADAERN CC(=O)c1cc(-c2nccn2C)no1 75405326 572842992 /nfs/dbraw/zinc/84/29/92/572842992.db2.gz ZUAWEQWOMRTXRC-UHFFFAOYSA-N 0 0 191.190 1.278 10 0 ADAERN CC(=O)c1noc(C2CC2)c1N(C)C 75397837 572842996 /nfs/dbraw/zinc/84/29/96/572842996.db2.gz GWHSOVZPVORKIV-UHFFFAOYSA-N 0 0 194.234 1.821 10 0 ADAERN COCCNCc1ncoc1C(C)C 85942014 572843027 /nfs/dbraw/zinc/84/30/27/572843027.db2.gz IZNZXHMQCHHDGB-UHFFFAOYSA-N 0 0 198.266 1.534 10 0 ADAERN Cc1nocc1-c1c[nH]c(C=O)n1 75408155 572843041 /nfs/dbraw/zinc/84/30/41/572843041.db2.gz JICUBNROYLMSHT-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCCc1nnc(CCSC)o1 307958643 572843097 /nfs/dbraw/zinc/84/30/97/572843097.db2.gz UBFVVPXGHKKCRB-UHFFFAOYSA-N 0 0 186.280 1.928 10 0 ADAERN CC(C)c1nc2c(o1)[C@H](C)NC2 75405493 572843112 /nfs/dbraw/zinc/84/31/12/572843112.db2.gz OCFQDURYWKYYMO-LURJTMIESA-N 0 0 166.224 1.962 10 0 ADAERN CCOCc1ocnc1CNC1CC1 85941546 572843117 /nfs/dbraw/zinc/84/31/17/572843117.db2.gz VBDDUYWJXVLKAX-UHFFFAOYSA-N 0 0 196.250 1.463 10 0 ADAERN CC[C@@H]1Nc2ccn(C)c2NC1=O 75409849 572843123 /nfs/dbraw/zinc/84/31/23/572843123.db2.gz DRJWFDSICKZDLW-LURJTMIESA-N 0 0 179.223 1.168 10 0 ADAERN Cc1conc1-c1c[nH]c(C=O)n1 75408147 572843158 /nfs/dbraw/zinc/84/31/58/572843158.db2.gz ZYWUMBYYTSHIOQ-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCc1onc(C(C)=O)c1N(C)C 75397813 572843175 /nfs/dbraw/zinc/84/31/75/572843175.db2.gz JOABSZZPXUGHAI-UHFFFAOYSA-N 0 0 182.223 1.506 10 0 ADAERN O=C1Nc2sccc2N2CCC[C@@H]12 75409740 572843249 /nfs/dbraw/zinc/84/32/49/572843249.db2.gz NLFHVMDEJCDEAO-LURJTMIESA-N 0 0 194.259 1.669 10 0 ADAERN CC(N)=CC(=O)O[C@@H](C)C(F)(F)F 118506886 572843257 /nfs/dbraw/zinc/84/32/57/572843257.db2.gz RFRXJUWYCXYWPU-XUELKZDXSA-N 0 0 197.156 1.343 10 0 ADAERN CC[C@H](O)[C@@H](C)/C=C/OCOC 307954757 572843270 /nfs/dbraw/zinc/84/32/70/572843270.db2.gz DMKXGHJIXVONAZ-MUNZNRDXSA-N 0 0 174.240 1.528 10 0 ADAERN CCON[C@@H](C)C[C@H]1CCCO1 689713920 572843281 /nfs/dbraw/zinc/84/32/81/572843281.db2.gz CZZXSEBGMIOLDP-DTWKUNHWSA-N 0 0 173.256 1.485 10 0 ADAERN COCCc1ocnc1CNC1CC1 85941617 572843333 /nfs/dbraw/zinc/84/33/33/572843333.db2.gz MNPXFBNEHLXSSQ-UHFFFAOYSA-N 0 0 196.250 1.116 10 0 ADAERN CCC/C=C\[C@H](O)[C@H](C)C(=O)OC 308150063 572843335 /nfs/dbraw/zinc/84/33/35/572843335.db2.gz HCTWSTZDRRAUHO-YYRDVDDBSA-N 0 0 186.251 1.513 10 0 ADAERN O=Cc1nc(-c2cscn2)c[nH]1 75408120 572843354 /nfs/dbraw/zinc/84/33/54/572843354.db2.gz AZBUCJJZBMUHQF-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN CCc1onc(CN)c1N(C)CC 75397726 572843377 /nfs/dbraw/zinc/84/33/77/572843377.db2.gz NMRIRHQWRNLAGD-UHFFFAOYSA-N 0 0 183.255 1.152 10 0 ADAERN CC(=O)c1cc(-c2ccn(C)n2)no1 75405307 572843386 /nfs/dbraw/zinc/84/33/86/572843386.db2.gz OSAJDPHOYXMEPM-UHFFFAOYSA-N 0 0 191.190 1.278 10 0 ADAERN CC(=O)c1cc(-c2cnc(C)o2)no1 75405351 572843399 /nfs/dbraw/zinc/84/33/99/572843399.db2.gz TZXCEBZZKVVYQF-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN Cc1ccc(/C=C\[C@@H](O)CO)cc1 308149351 572843400 /nfs/dbraw/zinc/84/34/00/572843400.db2.gz GIVZZEHIDJCPQH-JMEBYUIHSA-N 0 0 178.231 1.361 10 0 ADAERN CC[C@H](C)ONC(=O)NC1CC1 307958678 572843402 /nfs/dbraw/zinc/84/34/02/572843402.db2.gz UCVJNLOFAURSDF-LURJTMIESA-N 0 0 172.228 1.178 10 0 ADAERN CCCCO[C@@H](C)C(=O)N1CC1 307958613 572843408 /nfs/dbraw/zinc/84/34/08/572843408.db2.gz TXJCIKHEWISDDW-QMMMGPOBSA-N 0 0 171.240 1.034 10 0 ADAERN C[C@H]1CC[C@@H]1[NH2+][C@H](C)CCC(=O)[O-] 308150324 572843423 /nfs/dbraw/zinc/84/34/23/572843423.db2.gz QNOMLQSHKHWCQW-YIZRAAEISA-N 0 0 185.267 1.628 10 0 ADAERN CO/C=C\C1=C[C@H](O)C[C@@H](C)C1 307958714 572843444 /nfs/dbraw/zinc/84/34/44/572843444.db2.gz IEOQJYPQHRLOAX-GVGBKSHOSA-N 0 0 168.236 1.864 10 0 ADAERN CC[C@H]1Nc2ccn(C)c2NC1=O 75409845 572843489 /nfs/dbraw/zinc/84/34/89/572843489.db2.gz DRJWFDSICKZDLW-ZCFIWIBFSA-N 0 0 179.223 1.168 10 0 ADAERN CCCCOC(=O)c1cocn1 307958639 572843500 /nfs/dbraw/zinc/84/35/00/572843500.db2.gz UAFQWRSBFXWEHR-UHFFFAOYSA-N 0 0 169.180 1.632 10 0 ADAERN Nc1cc2nc(-c3ccccc3)nn2[nH]1 118492050 572843530 /nfs/dbraw/zinc/84/35/30/572843530.db2.gz REZFZZUQIVQMFU-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN Cc1ccn(C(C)C)c(=O)c1 71513642 572843549 /nfs/dbraw/zinc/84/35/49/572843549.db2.gz BBNHINRUCXUBCP-UHFFFAOYSA-N 0 0 151.209 1.738 10 0 ADAERN CN(C)c1c(CN)noc1C1CCC1 75397763 572843554 /nfs/dbraw/zinc/84/35/54/572843554.db2.gz ZUAFHEFVZLTKFN-UHFFFAOYSA-N 0 0 195.266 1.467 10 0 ADAERN CC(=O)c1cc(-c2ncc(C)o2)no1 75405349 572843562 /nfs/dbraw/zinc/84/35/62/572843562.db2.gz YYZZDLYAPZJQQQ-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN Cc1ncoc1-c1c[nH]c(C=O)n1 75408220 572843859 /nfs/dbraw/zinc/84/38/59/572843859.db2.gz NMYDEWDDPWHUDE-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CC(=O)c1cc(-c2cocn2)no1 75405348 572843632 /nfs/dbraw/zinc/84/36/32/572843632.db2.gz ZCESCZYVTDQXCQ-UHFFFAOYSA-N 0 0 178.147 1.532 10 0 ADAERN Cc1ncsc1-c1c[nH]c(C=O)n1 75408126 572843666 /nfs/dbraw/zinc/84/36/66/572843666.db2.gz LWPHFXYELSQTKA-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN C/C=C(\CC)C(=O)OC1COC1 307963358 572843687 /nfs/dbraw/zinc/84/36/87/572843687.db2.gz YYJRMBBWTGWBRS-XVNBXDOJSA-N 0 0 170.208 1.285 10 0 ADAERN CC(C)(O)c1nc2cc(N)ccc2[nH]1 50039583 572843695 /nfs/dbraw/zinc/84/36/95/572843695.db2.gz XQRZNMLZMUJFBN-UHFFFAOYSA-N 0 0 191.234 1.373 10 0 ADAERN CC(=O)c1cc(-c2nc[nH]c2C)no1 75405330 572843699 /nfs/dbraw/zinc/84/36/99/572843699.db2.gz HRGBUVQJUYKYHM-UHFFFAOYSA-N 0 0 191.190 1.576 10 0 ADAERN CCc1[nH]c(-c2ccncc2)nc1N 75409698 572843714 /nfs/dbraw/zinc/84/37/14/572843714.db2.gz WDLTWZNCXWTPTA-UHFFFAOYSA-N 0 0 188.234 1.616 10 0 ADAERN Cc1nc(-c2c[nH]c(C=O)n2)cs1 75408118 572843730 /nfs/dbraw/zinc/84/37/30/572843730.db2.gz POLWQMLHXMXXHF-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH2+][C@H](C)[C@@H](C)C(=O)[O-] 308153812 572843734 /nfs/dbraw/zinc/84/37/34/572843734.db2.gz SFCBPHOZWORGHY-BGZDPUMWSA-N 0 0 185.267 1.484 10 0 ADAERN CO[C@@H](C)CC(=O)OC1CCC1 308150362 572843739 /nfs/dbraw/zinc/84/37/39/572843739.db2.gz MMGMFAYIRBXWFL-ZETCQYMHSA-N 0 0 172.224 1.507 10 0 ADAERN CCN(CC)c1nc(CO)cs1 85955727 572843813 /nfs/dbraw/zinc/84/38/13/572843813.db2.gz OVPQVCQZVHHJRX-UHFFFAOYSA-N 0 0 186.280 1.482 10 0 ADAERN COC(C)(C)C[C@@H]1C[C@@H](O)CCO1 234612915 572843911 /nfs/dbraw/zinc/84/39/11/572843911.db2.gz RSZSJYNIIOIMBV-IUCAKERBSA-N 0 0 188.267 1.341 10 0 ADAERN CC(C)[C@H]1Nc2ccn(C)c2NC1=O 75409823 572843912 /nfs/dbraw/zinc/84/39/12/572843912.db2.gz NRTFAMYQKKPBLQ-MRVPVSSYSA-N 0 0 193.250 1.414 10 0 ADAERN CCC/C=C\[C@H](O)[C@@H](C)C(=O)OC 308150062 572843913 /nfs/dbraw/zinc/84/39/13/572843913.db2.gz HCTWSTZDRRAUHO-WVXMWNJGSA-N 0 0 186.251 1.513 10 0 ADAERN O=Cc1nc(Cc2ccncc2)c[nH]1 75408266 572843916 /nfs/dbraw/zinc/84/39/16/572843916.db2.gz VZUBDKPSZSGTMF-UHFFFAOYSA-N 0 0 187.202 1.208 10 0 ADAERN CCON[C@H](C)C[C@@H]1CCCO1 689713918 572843917 /nfs/dbraw/zinc/84/39/17/572843917.db2.gz CZZXSEBGMIOLDP-BDAKNGLRSA-N 0 0 173.256 1.485 10 0 ADAERN CC(N)=CC(=O)O[C@H](C)C(F)(F)F 118506876 572843919 /nfs/dbraw/zinc/84/39/19/572843919.db2.gz RFRXJUWYCXYWPU-QLSVQJPWSA-N 0 0 197.156 1.343 10 0 ADAERN CC(=O)c1noc(C)c1N1CCCC1 75397798 572844009 /nfs/dbraw/zinc/84/40/09/572844009.db2.gz USMMELFJLCTHGS-UHFFFAOYSA-N 0 0 194.234 1.786 10 0 ADAERN CC(C)(C)OCCNC(=O)C(F)F 308149879 572844012 /nfs/dbraw/zinc/84/40/12/572844012.db2.gz NTWIPKJSGRTAJJ-UHFFFAOYSA-N 0 0 195.209 1.183 10 0 ADAERN C[C@H]([NH2+][C@H]1CC[C@H]1C)[C@@H](C)C(=O)[O-] 308153814 572844333 /nfs/dbraw/zinc/84/43/33/572844333.db2.gz SFCBPHOZWORGHY-HXFLIBJXSA-N 0 0 185.267 1.484 10 0 ADAERN CC[C@@H](C)ONC(=O)NC1CC1 307958679 572844604 /nfs/dbraw/zinc/84/46/04/572844604.db2.gz UCVJNLOFAURSDF-ZCFIWIBFSA-N 0 0 172.228 1.178 10 0 ADAERN CC(=O)c1cc(-c2ncc[nH]2)no1 75405322 572844188 /nfs/dbraw/zinc/84/41/88/572844188.db2.gz OMPUBTDWSCHLJT-UHFFFAOYSA-N 0 0 177.163 1.267 10 0 ADAERN CC(=O)c1cc(-c2ncco2)no1 75405346 572844265 /nfs/dbraw/zinc/84/42/65/572844265.db2.gz IZQXOQKJCNVCMG-UHFFFAOYSA-N 0 0 178.147 1.532 10 0 ADAERN CCOc1cnn(C[C@H](O)CC)c1 308150797 572844388 /nfs/dbraw/zinc/84/43/88/572844388.db2.gz QSMDETDLRKUVQF-MRVPVSSYSA-N 0 0 184.239 1.053 10 0 ADAERN Cn1c(C=O)ccc1Cc1cc[nH]n1 75425697 572844595 /nfs/dbraw/zinc/84/45/95/572844595.db2.gz HQGVZRUTHLKFDF-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN CCOCC(=O)c1cncc(Cl)c1 307954891 572844596 /nfs/dbraw/zinc/84/45/96/572844596.db2.gz NZIHJQPILMGDSJ-UHFFFAOYSA-N 0 0 199.637 1.954 10 0 ADAERN C[C@H](N[C@H]1CCCC[C@H]1O)C(F)F 299899427 572844413 /nfs/dbraw/zinc/84/44/13/572844413.db2.gz ZEEVKHSOZYWNIB-BIIVOSGPSA-N 0 0 193.237 1.533 10 0 ADAERN CC[C@H](C)[C@](C)(CC(=O)[O-])[NH+](C)C 308150299 572844420 /nfs/dbraw/zinc/84/44/20/572844420.db2.gz QMTJILHPXCQEAJ-WPRPVWTQSA-N 0 0 187.283 1.828 10 0 ADAERN C/C=C/COC(=O)CCCCO 307958636 572844425 /nfs/dbraw/zinc/84/44/25/572844425.db2.gz TZWYYTCKEYLMQG-NSCUHMNNSA-N 0 0 172.224 1.268 10 0 ADAERN Nc1ccc(C(=O)Cc2ccco2)o1 75424784 572844598 /nfs/dbraw/zinc/84/45/98/572844598.db2.gz LUYLOBZBMNPLER-UHFFFAOYSA-N 0 0 191.186 1.880 10 0 ADAERN C/C=C\COC(=O)CCCCO 307958635 572844600 /nfs/dbraw/zinc/84/46/00/572844600.db2.gz TZWYYTCKEYLMQG-IHWYPQMZSA-N 0 0 172.224 1.268 10 0 ADAERN OC/C=C\CCC/C=C/C=C/CO 308150754 572844467 /nfs/dbraw/zinc/84/44/67/572844467.db2.gz HNZMYPLDEBORCL-MOVSYZGBSA-N 0 0 182.263 1.810 10 0 ADAERN CCCC[C@@H]1[NH2+]CC[C@@H]1C(=O)[O-] 75421781 572844601 /nfs/dbraw/zinc/84/46/01/572844601.db2.gz ZBDPNTPQYZDKSC-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN Cn1cc(CC(F)(F)F)cc1C=O 75425509 572844500 /nfs/dbraw/zinc/84/45/00/572844500.db2.gz ZQYGPSDQIMHSJD-UHFFFAOYSA-N 0 0 191.152 1.942 10 0 ADAERN Cc1ncoc1Cc1coc(C=O)c1 75424405 572844526 /nfs/dbraw/zinc/84/45/26/572844526.db2.gz OMROFJXQINTHQI-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Nc1cc(C=O)oc1Cc1ccon1 75424989 572844570 /nfs/dbraw/zinc/84/45/70/572844570.db2.gz VQXLKVKEFNHLHY-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN CCOCCN(C)c1ncccc1N 87976045 572844574 /nfs/dbraw/zinc/84/45/74/572844574.db2.gz QVMYMGYZRJROKB-UHFFFAOYSA-N 0 0 195.266 1.137 10 0 ADAERN Cc1cc(C)c2c(c1)SC(=O)[C@H]2N 75426273 572844581 /nfs/dbraw/zinc/84/45/81/572844581.db2.gz MDCIWDNQRPNKKU-VIFPVBQESA-N 0 0 193.271 1.936 10 0 ADAERN Cc1ncoc1C(=O)c1ccc(N)o1 75424827 572844590 /nfs/dbraw/zinc/84/45/90/572844590.db2.gz JFDQQABORSCCJW-UHFFFAOYSA-N 0 0 192.174 1.389 10 0 ADAERN CCC/C=C\[C@H](CO)COC(C)=O 308150806 572844746 /nfs/dbraw/zinc/84/47/46/572844746.db2.gz HPMOPQAAAVILCC-WWQCOOJYSA-N 0 0 186.251 1.514 10 0 ADAERN CC[C@H](C)[C@@](C)(CC(=O)[O-])[NH+](C)C 308150298 572844743 /nfs/dbraw/zinc/84/47/43/572844743.db2.gz QMTJILHPXCQEAJ-WCBMZHEXSA-N 0 0 187.283 1.828 10 0 ADAERN Cc1cc(Cc2ccc(C=O)[nH]2)n[nH]1 75425802 572844739 /nfs/dbraw/zinc/84/47/39/572844739.db2.gz YNUJSKKTCDULOF-UHFFFAOYSA-N 0 0 189.218 1.450 10 0 ADAERN CCOC(=O)[C@@](C)(F)[C@H](O)C(C)C 308150081 572844716 /nfs/dbraw/zinc/84/47/16/572844716.db2.gz HHCGJFIDEAWKOI-APPZFPTMSA-N 0 0 192.230 1.295 10 0 ADAERN CC(C)Cc1c(N)cc(C=O)n1C 75425916 572844718 /nfs/dbraw/zinc/84/47/18/572844718.db2.gz FHLOBFXMDUYAGS-UHFFFAOYSA-N 0 0 180.251 1.618 10 0 ADAERN Cc1cnc(Cc2ccc(C=O)o2)o1 75424907 572844728 /nfs/dbraw/zinc/84/47/28/572844728.db2.gz GIQOVMGTQQTSAA-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Cn1ccc(Cc2cc[nH]c2)c1C=O 75425451 572844766 /nfs/dbraw/zinc/84/47/66/572844766.db2.gz FNACXOPAVZJBAH-UHFFFAOYSA-N 0 0 188.230 1.757 10 0 ADAERN Cc1ncoc1Cc1ccoc1C=O 75424294 572844775 /nfs/dbraw/zinc/84/47/75/572844775.db2.gz AGALXKGBXJHEQI-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Cn1cc(Cc2coc(C=O)c2)cn1 75424378 572845175 /nfs/dbraw/zinc/84/51/75/572845175.db2.gz TWEGNRIAVMKBNL-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN O=C1Cc2c(ccc3c2OCO3)S1 75426245 572845036 /nfs/dbraw/zinc/84/50/36/572845036.db2.gz QOOPUHVUWWHPJE-UHFFFAOYSA-N 0 0 194.211 1.590 10 0 ADAERN Nc1oc(C=O)cc1CC(F)(F)F 75425026 572845009 /nfs/dbraw/zinc/84/50/09/572845009.db2.gz UFOACUVWHDMEHR-UHFFFAOYSA-N 0 0 193.124 1.779 10 0 ADAERN Nc1ccc(C(=O)c2ncco2)o1 75424808 572845014 /nfs/dbraw/zinc/84/50/14/572845014.db2.gz DNKGVYVETCGWNB-UHFFFAOYSA-N 0 0 178.147 1.081 10 0 ADAERN Cc1n[nH]cc1C(=O)c1ccc(N)o1 75424801 572845018 /nfs/dbraw/zinc/84/50/18/572845018.db2.gz OGPYYJCEHXBODT-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN Cn1c(C=O)ccc1CC1CC1 75425615 572845024 /nfs/dbraw/zinc/84/50/24/572845024.db2.gz BIKHICQAVNKIDW-UHFFFAOYSA-N 0 0 163.220 1.790 10 0 ADAERN CCOCCN(C)c1ccc(N)nc1 87976145 572845027 /nfs/dbraw/zinc/84/50/27/572845027.db2.gz LZEVRAQJCHCGDD-UHFFFAOYSA-N 0 0 195.266 1.137 10 0 ADAERN Cn1cc(Cc2cnco2)cc1C=O 75425606 572845064 /nfs/dbraw/zinc/84/50/64/572845064.db2.gz LUYHHCVIRMZWDO-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN COc1cccc2c1CC(=O)S2 75426201 572845069 /nfs/dbraw/zinc/84/50/69/572845069.db2.gz TXWWDARGLUWJCR-UHFFFAOYSA-N 0 0 180.228 1.870 10 0 ADAERN CN(C)c1ccc2c(c1)SC(=O)C2 75426209 572845092 /nfs/dbraw/zinc/84/50/92/572845092.db2.gz UCWRKJJXMVYTED-UHFFFAOYSA-N 0 0 193.271 1.927 10 0 ADAERN O=C1Cc2occc2S1 75426231 572845122 /nfs/dbraw/zinc/84/51/22/572845122.db2.gz GVIBUZCMXRNAKS-UHFFFAOYSA-N 0 0 140.163 1.454 10 0 ADAERN Cn1c(C=O)ccc1Cc1cn[nH]c1 75425683 572845131 /nfs/dbraw/zinc/84/51/31/572845131.db2.gz JFPQQZMFCWQBRV-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN O=Cc1occc1Cc1cnco1 75424293 572845136 /nfs/dbraw/zinc/84/51/36/572845136.db2.gz HYFOZMWRXGYXET-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Nc1cc(C=O)[nH]c1CC1CC1 75425821 572845138 /nfs/dbraw/zinc/84/51/38/572845138.db2.gz IEFUGPQYIUREIM-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN O=Cc1ccc(Cc2cnco2)[nH]1 75425812 572845141 /nfs/dbraw/zinc/84/51/41/572845141.db2.gz WTBXWHSIFPGWLD-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN O=Cc1occc1Cc1ccon1 75424259 572845150 /nfs/dbraw/zinc/84/51/50/572845150.db2.gz RUSDSQOPKQCXDB-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Cc1nocc1Cc1cc[nH]c1C=O 75425375 572845154 /nfs/dbraw/zinc/84/51/54/572845154.db2.gz YMNWBUCLOUYAMJ-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Cc1n[nH]cc1Cc1ccoc1C=O 75424268 572845159 /nfs/dbraw/zinc/84/51/59/572845159.db2.gz UWHBFXCDBJKGLX-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Cc1coc(Cc2cc[nH]c2C=O)n1 75425387 572845161 /nfs/dbraw/zinc/84/51/61/572845161.db2.gz HQCWBYLVRUMDMU-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Nc1cc(C=O)[nH]c1Cc1cc[nH]c1 75425858 572845169 /nfs/dbraw/zinc/84/51/69/572845169.db2.gz KKLCONJYWJMTGI-UHFFFAOYSA-N 0 0 189.218 1.328 10 0 ADAERN O=C1Cc2cccnc2S1 75426233 572845184 /nfs/dbraw/zinc/84/51/84/572845184.db2.gz YTNLUHUODRHMFK-UHFFFAOYSA-N 0 0 151.190 1.256 10 0 ADAERN CC(C)Cc1cc(C=O)n(C)c1N 75426109 572845187 /nfs/dbraw/zinc/84/51/87/572845187.db2.gz CXYVJIYTMLOVPQ-UHFFFAOYSA-N 0 0 180.251 1.618 10 0 ADAERN Nc1ccc(C(=O)c2cnco2)o1 75424826 572845191 /nfs/dbraw/zinc/84/51/91/572845191.db2.gz QEIGMNYWMPLQLA-UHFFFAOYSA-N 0 0 178.147 1.081 10 0 ADAERN Nc1cc(C=O)[nH]c1CC(F)(F)F 75425816 572845201 /nfs/dbraw/zinc/84/52/01/572845201.db2.gz BODMULNUAWMKRC-UHFFFAOYSA-N 0 0 192.140 1.514 10 0 ADAERN Cc1n[nH]cc1Cc1coc(C=O)c1 75424379 572845212 /nfs/dbraw/zinc/84/52/12/572845212.db2.gz XWNIFMIHIUALAB-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN C=CC(=O)N(C)CCOC(C)C 87976691 572845216 /nfs/dbraw/zinc/84/52/16/572845216.db2.gz KMGGIZQKODWBTH-UHFFFAOYSA-N 0 0 171.240 1.056 10 0 ADAERN CC(C)Cc1oc(C=O)cc1N 75424929 572845220 /nfs/dbraw/zinc/84/52/20/572845220.db2.gz WRRYYKYRJBRSDM-UHFFFAOYSA-N 0 0 167.208 1.873 10 0 ADAERN O=Cc1cc(Cc2cn[nH]c2)co1 75424377 572845224 /nfs/dbraw/zinc/84/52/24/572845224.db2.gz DZOWUQVSRYZVDV-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN CC[C@@H](C)[N@H+](CCO)[C@@H](C)C(C)=O 308152849 572845233 /nfs/dbraw/zinc/84/52/33/572845233.db2.gz RSTCWGJEXUXIFD-BDAKNGLRSA-N 0 0 187.283 1.057 10 0 ADAERN O=Cc1ccc(Cc2cn[nH]c2)[nH]1 75425785 572845238 /nfs/dbraw/zinc/84/52/38/572845238.db2.gz WRGCJVKQKRPABF-UHFFFAOYSA-N 0 0 175.191 1.141 10 0 ADAERN Nc1cc(C=O)oc1CC(F)(F)F 75424927 572845245 /nfs/dbraw/zinc/84/52/45/572845245.db2.gz CPPNUYICXALSBM-UHFFFAOYSA-N 0 0 193.124 1.779 10 0 ADAERN O=Cc1[nH]ccc1Cc1ccncc1 75425328 572845248 /nfs/dbraw/zinc/84/52/48/572845248.db2.gz DQQMGBBOPAWRKY-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN COCn1cc(Cl)ccc1=O 71515945 572845249 /nfs/dbraw/zinc/84/52/49/572845249.db2.gz OSGFUKRWYGZAAB-UHFFFAOYSA-N 0 0 173.599 1.106 10 0 ADAERN Cn1c(C=O)ccc1Cc1cnco1 75425710 572845259 /nfs/dbraw/zinc/84/52/59/572845259.db2.gz SEHURSWDCXZBMH-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CCCc1ccn(C)c1C=O 75425408 572845263 /nfs/dbraw/zinc/84/52/63/572845263.db2.gz LGIVIMZVSCMHMM-UHFFFAOYSA-N 0 0 151.209 1.790 10 0 ADAERN Cn1cc(Cc2ccc(C=O)o2)cn1 75424897 572845266 /nfs/dbraw/zinc/84/52/66/572845266.db2.gz RKRXTJXCEZMVSJ-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Cc1cc(Cc2cc[nH]c2C=O)no1 75425369 572845270 /nfs/dbraw/zinc/84/52/70/572845270.db2.gz OKRMYLVXANMNRN-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Nc1ccc(C(=O)c2cccnc2)o1 75424736 572845272 /nfs/dbraw/zinc/84/52/72/572845272.db2.gz VPDPNRMMXMMQSL-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN CCCC[N@@H+]1CC[C@@H]2C[C@]2(C(=O)[O-])C1 75421720 572845274 /nfs/dbraw/zinc/84/52/74/572845274.db2.gz XBWHNIITHPKFAX-KOLCDFICSA-N 0 0 197.278 1.583 10 0 ADAERN Cc1cc(Cc2coc(C=O)c2)n[nH]1 75424394 572845288 /nfs/dbraw/zinc/84/52/88/572845288.db2.gz OZZOVNTWOLZYDM-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN CC(=O)[C@H](C)n1cc(F)ccc1=O 71516348 572845306 /nfs/dbraw/zinc/84/53/06/572845306.db2.gz DTYWJAHSECTAGQ-LURJTMIESA-N 0 0 183.182 1.137 10 0 ADAERN O=Cc1ccc(Cc2cscn2)[nH]1 75425755 572845319 /nfs/dbraw/zinc/84/53/19/572845319.db2.gz IJTLKYIASYJHLG-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN Nc1cc(C=O)oc1Cc1cc[nH]c1 75424970 572845322 /nfs/dbraw/zinc/84/53/22/572845322.db2.gz WVZQTHFAUNSPRG-UHFFFAOYSA-N 0 0 190.202 1.593 10 0 ADAERN CCc1oc(C=O)cc1N 75424925 572845326 /nfs/dbraw/zinc/84/53/26/572845326.db2.gz JXZRNVQGVQRRCG-UHFFFAOYSA-N 0 0 139.154 1.237 10 0 ADAERN CCC(CC)[C@H]1[NH2+]CC[C@@H]1C(=O)[O-] 75421791 572845331 /nfs/dbraw/zinc/84/53/31/572845331.db2.gz LFOTUTFRAKWFTB-DTWKUNHWSA-N 0 0 185.267 1.485 10 0 ADAERN O=Cc1ccc(Cc2cc[nH]c2)[nH]1 75425752 572845335 /nfs/dbraw/zinc/84/53/35/572845335.db2.gz YTZSCIXYMDPSII-UHFFFAOYSA-N 0 0 174.203 1.746 10 0 ADAERN O=Cc1[nH]ccc1Cc1cc[nH]c1 75425343 572845337 /nfs/dbraw/zinc/84/53/37/572845337.db2.gz SQHQHTBXYPNMBD-UHFFFAOYSA-N 0 0 174.203 1.746 10 0 ADAERN COCCCC[C@H]1COCCC1=O 234615295 572845340 /nfs/dbraw/zinc/84/53/40/572845340.db2.gz ASCAWJLNXSWCKV-VIFPVBQESA-N 0 0 186.251 1.409 10 0 ADAERN CCCC[C@H]1[NH2+]CC[C@H]1C(=O)[O-] 75421778 572845357 /nfs/dbraw/zinc/84/53/57/572845357.db2.gz ZBDPNTPQYZDKSC-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H](CC(F)F)NC(=O)N1CCC1 308151831 572845359 /nfs/dbraw/zinc/84/53/59/572845359.db2.gz OVRJCGULBVPTPH-ZCFIWIBFSA-N 0 0 192.209 1.445 10 0 ADAERN Cc1cc(Cc2ccc(C=O)o2)n[nH]1 75424913 572845361 /nfs/dbraw/zinc/84/53/61/572845361.db2.gz FVLFGCFKVGIZLH-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Cn1cc(Cc2cc[nH]c2)cc1C=O 75425552 572845376 /nfs/dbraw/zinc/84/53/76/572845376.db2.gz JMPGMYWEMBBKST-UHFFFAOYSA-N 0 0 188.230 1.757 10 0 ADAERN Cc1cccn(C(C)C)c1=O 71516859 572845377 /nfs/dbraw/zinc/84/53/77/572845377.db2.gz BIZGNDBLOGVXLQ-UHFFFAOYSA-N 0 0 151.209 1.738 10 0 ADAERN Cn1ccc(CC(F)(F)F)c1C=O 75425407 572845380 /nfs/dbraw/zinc/84/53/80/572845380.db2.gz BTVLXNNGMOQQLS-UHFFFAOYSA-N 0 0 191.152 1.942 10 0 ADAERN Cc1c[nH]nc1Cc1ccc(C=O)[nH]1 75425800 572845382 /nfs/dbraw/zinc/84/53/82/572845382.db2.gz QJUWRARPNDJXPP-UHFFFAOYSA-N 0 0 189.218 1.450 10 0 ADAERN CCC1(c2nc(CNC)no2)CC1 308151731 572845487 /nfs/dbraw/zinc/84/54/87/572845487.db2.gz RGBNHPMFYANUTL-UHFFFAOYSA-N 0 0 181.239 1.231 10 0 ADAERN O=Cc1[nH]ccc1Cc1cnco1 75425404 572845386 /nfs/dbraw/zinc/84/53/86/572845386.db2.gz UXYFEYMPANQZFS-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1cc(C(=O)c2ccc(N)o2)no1 75424791 572845389 /nfs/dbraw/zinc/84/53/89/572845389.db2.gz FGOBTLNXLGIANV-UHFFFAOYSA-N 0 0 192.174 1.389 10 0 ADAERN CCCCC[C@@H]1OC(=O)[C@@H](C)[C@H]1O 308151550 572845398 /nfs/dbraw/zinc/84/53/98/572845398.db2.gz IJSXUGKFMAVAMK-XHNCKOQMSA-N 0 0 186.251 1.489 10 0 ADAERN Nc1oc(C=O)cc1CC1CC1 75425031 572845408 /nfs/dbraw/zinc/84/54/08/572845408.db2.gz PFRZVWJTMBOYRN-UHFFFAOYSA-N 0 0 165.192 1.627 10 0 ADAERN Nc1ccc(C(=O)c2cnoc2)o1 75424796 572845435 /nfs/dbraw/zinc/84/54/35/572845435.db2.gz QBOUSWOESUXGLG-UHFFFAOYSA-N 0 0 178.147 1.081 10 0 ADAERN Cn1cc(CC2CC2)cc1C=O 75425514 572845438 /nfs/dbraw/zinc/84/54/38/572845438.db2.gz MKUACTSNVLQPOX-UHFFFAOYSA-N 0 0 163.220 1.790 10 0 ADAERN CC(C)Cc1[nH]c(C=O)cc1N 75425818 572845441 /nfs/dbraw/zinc/84/54/41/572845441.db2.gz XZMCSNGOTYPCCX-UHFFFAOYSA-N 0 0 166.224 1.608 10 0 ADAERN O=Cc1[nH]ccc1Cc1cccnc1 75425326 572845455 /nfs/dbraw/zinc/84/54/55/572845455.db2.gz NZDWMTRIBGSWMP-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN Cc1coc(Cc2ccc(C=O)o2)n1 75424906 572845457 /nfs/dbraw/zinc/84/54/57/572845457.db2.gz FSLLBHQKSCFCGT-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Nc1oc(C=O)cc1Cc1cnco1 75425122 572845464 /nfs/dbraw/zinc/84/54/64/572845464.db2.gz PTGBCGPREALVGD-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN O=Cc1[nH]ccc1Cc1cn[nH]c1 75425377 572845465 /nfs/dbraw/zinc/84/54/65/572845465.db2.gz UEMMKPCUAJCFDF-UHFFFAOYSA-N 0 0 175.191 1.141 10 0 ADAERN CCC(CC)(C(=O)[O-])[N@H+]1CC=CCC1 75423236 572845471 /nfs/dbraw/zinc/84/54/71/572845471.db2.gz VOPQUFVGFHPQLD-UHFFFAOYSA-N 0 0 197.278 1.892 10 0 ADAERN CCCCn1cc(C)ccc1=O 71515542 572845481 /nfs/dbraw/zinc/84/54/81/572845481.db2.gz MDOHLOQSIAQUPY-UHFFFAOYSA-N 0 0 165.236 1.957 10 0 ADAERN COC1(Cc2nc(N)ns2)CCC1 234876189 572845483 /nfs/dbraw/zinc/84/54/83/572845483.db2.gz HEBOTGLPWQJHPH-UHFFFAOYSA-N 0 0 199.279 1.232 10 0 ADAERN CC(C)[C@]1(C)C[C@H]1COC(=O)CO 308151403 572845495 /nfs/dbraw/zinc/84/54/95/572845495.db2.gz OQLIGEXEIMPMOI-WPRPVWTQSA-N 0 0 186.251 1.204 10 0 ADAERN CC(C)(C)Cc1[nH]c(C=O)cc1N 75425815 572847013 /nfs/dbraw/zinc/84/70/13/572847013.db2.gz GOILGRNGMHJTJD-UHFFFAOYSA-N 0 0 180.251 1.998 10 0 ADAERN O=Cc1ccc(Cc2ccncc2)[nH]1 75425737 572845521 /nfs/dbraw/zinc/84/55/21/572845521.db2.gz MZZZTAMLDDELMJ-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN Nc1oc(C=O)cc1Cc1cc[nH]c1 75425070 572845529 /nfs/dbraw/zinc/84/55/29/572845529.db2.gz ORSMTZLOPTZIEB-UHFFFAOYSA-N 0 0 190.202 1.593 10 0 ADAERN Cn1ccc(Cc2ccon2)c1C=O 75425471 572845534 /nfs/dbraw/zinc/84/55/34/572845534.db2.gz FQEKRGHZZIGJRR-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Nc1cc(C=O)oc1Cc1ncco1 75425004 572845539 /nfs/dbraw/zinc/84/55/39/572845539.db2.gz JFMPGRZQOXHFQX-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN Cc1ncc(Cc2ccc(C=O)[nH]2)o1 75425810 572845546 /nfs/dbraw/zinc/84/55/46/572845546.db2.gz CHIQYPLKIDQDOE-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Cc1ccc(=O)n(CC(C)C)c1 71515551 572845547 /nfs/dbraw/zinc/84/55/47/572845547.db2.gz UMNGUHJYNAWYND-UHFFFAOYSA-N 0 0 165.236 1.813 10 0 ADAERN COC(C[C@](C)(O)C=C(C)C)OC 86021965 572845549 /nfs/dbraw/zinc/84/55/49/572845549.db2.gz HXUZXVGFNSGWEO-SNVBAGLBSA-N 0 0 188.267 1.713 10 0 ADAERN Cn1cc(Cc2cc[nH]n2)cc1C=O 75425593 572845560 /nfs/dbraw/zinc/84/55/60/572845560.db2.gz IUFTWXOQOXVVGM-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN Cc1coc(C(=O)c2ccc(N)o2)n1 75424809 572845567 /nfs/dbraw/zinc/84/55/67/572845567.db2.gz ZKIYDBRXCDNMPN-UHFFFAOYSA-N 0 0 192.174 1.389 10 0 ADAERN CC(=O)COC(=O)C[C@@H]1C[C@@H]1C 307959144 572845573 /nfs/dbraw/zinc/84/55/73/572845573.db2.gz UNRVCNSWEAASMW-XPUUQOCRSA-N 0 0 170.208 1.165 10 0 ADAERN CC(C)/C=C/[C@@H](O)C[C@@H](O)C(C)C 308152454 572845586 /nfs/dbraw/zinc/84/55/86/572845586.db2.gz JFJWSKGKGSPNFO-XIJCSBCJSA-N 0 0 186.295 1.967 10 0 ADAERN O=Cc1[nH]ccc1Cc1ccon1 75425370 572845588 /nfs/dbraw/zinc/84/55/88/572845588.db2.gz VJWXHKHFIXYODV-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1coc(Cc2ccoc2C=O)n1 75424276 572845591 /nfs/dbraw/zinc/84/55/91/572845591.db2.gz BMHHLPNGGLPIMW-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CCCc1c(N)cc(C=O)n1C 75425915 572845601 /nfs/dbraw/zinc/84/56/01/572845601.db2.gz FLBDKWKRWDMLNF-UHFFFAOYSA-N 0 0 166.224 1.372 10 0 ADAERN CCC(CC)[C@@H]1[NH2+]CC[C@H]1C(=O)[O-] 75421790 572845605 /nfs/dbraw/zinc/84/56/05/572845605.db2.gz LFOTUTFRAKWFTB-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN CS[C@@H](C)C(=O)O[C@H]1CCOC1 308152083 572845609 /nfs/dbraw/zinc/84/56/09/572845609.db2.gz NCJIHSQXOGZFHU-BQBZGAKWSA-N 0 0 190.264 1.070 10 0 ADAERN CC(=O)COC(=O)C[C@@H]1C[C@H]1C 307959143 572845621 /nfs/dbraw/zinc/84/56/21/572845621.db2.gz UNRVCNSWEAASMW-SVRRBLITSA-N 0 0 170.208 1.165 10 0 ADAERN [NH3+]C[C@@](CCCF)(C(=O)[O-])C1CC1 236249434 572845622 /nfs/dbraw/zinc/84/56/22/572845622.db2.gz LMPQQWZZMJWPTL-SECBINFHSA-N 0 0 189.230 1.176 10 0 ADAERN Cc1ncoc1Cc1ccc(C=O)[nH]1 75425813 572845631 /nfs/dbraw/zinc/84/56/31/572845631.db2.gz HXCCEHBKXPDLEH-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Cc1nocc1Cc1coc(C=O)c1 75424375 572845640 /nfs/dbraw/zinc/84/56/40/572845640.db2.gz QWPQTKZIQSWGLA-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Cn1ccc(Cc2cn[nH]c2)c1C=O 75425478 572845645 /nfs/dbraw/zinc/84/56/45/572845645.db2.gz KYOVVYYIJOARJB-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN CC(C)CCc1[nH]c(C=O)cc1N 75425820 572845656 /nfs/dbraw/zinc/84/56/56/572845656.db2.gz KCUFZPYJHXNZAR-UHFFFAOYSA-N 0 0 180.251 1.998 10 0 ADAERN O=Cc1ccc(Cc2cncs2)[nH]1 75425808 572845671 /nfs/dbraw/zinc/84/56/71/572845671.db2.gz BMYRXAVQLOITPB-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN C[C@H](C(=O)OC1COC1)C(C)(C)C 308152789 572845672 /nfs/dbraw/zinc/84/56/72/572845672.db2.gz PIDRMDOWQHXGGO-SSDOTTSWSA-N 0 0 186.251 1.611 10 0 ADAERN Cc1cnc(C(=O)c2ccc(N)o2)o1 75424810 572845676 /nfs/dbraw/zinc/84/56/76/572845676.db2.gz VCECMLYHEXPKML-UHFFFAOYSA-N 0 0 192.174 1.389 10 0 ADAERN Cn1c(C=O)ccc1Cc1ncco1 75425692 572845686 /nfs/dbraw/zinc/84/56/86/572845686.db2.gz AFORKVWYDCXFLD-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Nc1ccc(C(=O)c2ccco2)o1 75424733 572845706 /nfs/dbraw/zinc/84/57/06/572845706.db2.gz RCLQCJFYBBNXMX-UHFFFAOYSA-N 0 0 177.159 1.686 10 0 ADAERN Cn1ccc(Cc2cnoc2)c1C=O 75425475 572845715 /nfs/dbraw/zinc/84/57/15/572845715.db2.gz UQMIRHJGNRLEQD-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Cc1cc(Cc2cc[nH]c2C=O)n[nH]1 75425394 572845725 /nfs/dbraw/zinc/84/57/25/572845725.db2.gz QESNNSZRYOGFPG-UHFFFAOYSA-N 0 0 189.218 1.450 10 0 ADAERN CC(C)[C@@]1(C)C[C@H]1COC(=O)CO 308151401 572845730 /nfs/dbraw/zinc/84/57/30/572845730.db2.gz OQLIGEXEIMPMOI-WCBMZHEXSA-N 0 0 186.251 1.204 10 0 ADAERN CC(C)Cc1cc(C=O)[nH]c1N 75426011 572845732 /nfs/dbraw/zinc/84/57/32/572845732.db2.gz NBMAQAJCCWURFD-UHFFFAOYSA-N 0 0 166.224 1.608 10 0 ADAERN CC(=O)[C@@H](C)n1cc(F)ccc1=O 71516349 572845736 /nfs/dbraw/zinc/84/57/36/572845736.db2.gz DTYWJAHSECTAGQ-ZCFIWIBFSA-N 0 0 183.182 1.137 10 0 ADAERN Cc1nocc1Cc1ccc(C=O)o1 75424894 572845747 /nfs/dbraw/zinc/84/57/47/572845747.db2.gz BITDVZLLNQONOG-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Cc1nn(C)cc1NCCCCF 308152843 572845754 /nfs/dbraw/zinc/84/57/54/572845754.db2.gz RSMALWGLAOHDLV-UHFFFAOYSA-N 0 0 185.246 1.890 10 0 ADAERN Cc1conc1Cc1ccc(C=O)o1 75424890 572845758 /nfs/dbraw/zinc/84/57/58/572845758.db2.gz NHUKFXMTWUCNEF-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CC(C)(C)C(=O)OCN1CCC1 307959195 572845759 /nfs/dbraw/zinc/84/57/59/572845759.db2.gz IVEKWXOZYUQJPR-UHFFFAOYSA-N 0 0 171.240 1.239 10 0 ADAERN O=Cc1occc1Cc1cc[nH]n1 75424280 572845764 /nfs/dbraw/zinc/84/57/64/572845764.db2.gz ULMBTLSEWUUFBU-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cn1c(C=O)cc(N)c1CC1CC1 75425919 572845768 /nfs/dbraw/zinc/84/57/68/572845768.db2.gz NRLKLVPOQXALRS-UHFFFAOYSA-N 0 0 178.235 1.372 10 0 ADAERN CC[C@@H](C)OC(=O)c1cnoc1N 75422844 572845778 /nfs/dbraw/zinc/84/57/78/572845778.db2.gz RNFJSWQTCZRHNV-RXMQYKEDSA-N 0 0 184.195 1.212 10 0 ADAERN CCC[C@H](O)[C@@H]1[C@H](O)CC[C@H]1CC 308151563 572845779 /nfs/dbraw/zinc/84/57/79/572845779.db2.gz ILTJQAUKLQXLTF-LMLFDSFASA-N 0 0 186.295 1.945 10 0 ADAERN O=Cc1cc(Cc2ccon2)co1 75424370 572845782 /nfs/dbraw/zinc/84/57/82/572845782.db2.gz NCSYKWULSXMCEW-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN O=C1Cc2ccc3c(c2S1)OCO3 75426212 572845787 /nfs/dbraw/zinc/84/57/87/572845787.db2.gz QEEBEKAICIVZPT-UHFFFAOYSA-N 0 0 194.211 1.590 10 0 ADAERN Nc1[nH]c(C=O)cc1CC1CC1 75426014 572845807 /nfs/dbraw/zinc/84/58/07/572845807.db2.gz JNYCDFMEMAPNGD-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN O=Cc1ccc(Cc2cccnc2)[nH]1 75425735 572845811 /nfs/dbraw/zinc/84/58/11/572845811.db2.gz OCVBLBYBYAXNKK-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN C[C@@H]1CC[C@@]1([NH2+]CC1CC1)C(=O)[O-] 308152212 572845813 /nfs/dbraw/zinc/84/58/13/572845813.db2.gz RMAFRFWWMZRXFE-XCBNKYQSSA-N 0 0 183.251 1.239 10 0 ADAERN Cn1c(C=O)ccc1Cc1ccon1 75425676 572845816 /nfs/dbraw/zinc/84/58/16/572845816.db2.gz ZMQBRQSRUNCBLN-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Cc1c[nH]nc1Cc1ccoc1C=O 75424281 572845851 /nfs/dbraw/zinc/84/58/51/572845851.db2.gz CPBJKDKWTFJVIQ-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Cn1cc(Cc2ccc(C=O)[nH]2)cn1 75425786 572845868 /nfs/dbraw/zinc/84/58/68/572845868.db2.gz BMSNFZOETPIELX-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN CCSCc1nnc(C2CC2)[nH]1 308151344 572845869 /nfs/dbraw/zinc/84/58/69/572845869.db2.gz MVTFZYAQVAJWPL-UHFFFAOYSA-N 0 0 183.280 1.935 10 0 ADAERN Nc1ccc(C(=O)c2ccncc2)o1 75424741 572845874 /nfs/dbraw/zinc/84/58/74/572845874.db2.gz BJKUPHHJCJNETR-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN Nc1oc(C=O)cc1Cc1ncco1 75425104 572845889 /nfs/dbraw/zinc/84/58/89/572845889.db2.gz ZERYTDDXHPORKH-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN CCN(CC[C@@H](C)F)S(C)(=O)=O 307959259 572845903 /nfs/dbraw/zinc/84/59/03/572845903.db2.gz UUUCZIDTIMUCTB-SSDOTTSWSA-N 0 0 197.275 1.016 10 0 ADAERN Cc1n[nH]cc1Cc1cc[nH]c1C=O 75425379 572845904 /nfs/dbraw/zinc/84/59/04/572845904.db2.gz CKNJHEJJLIGFOJ-UHFFFAOYSA-N 0 0 189.218 1.450 10 0 ADAERN CC(C)CCn1nncc1[C@@H](C)O 308152935 572845907 /nfs/dbraw/zinc/84/59/07/572845907.db2.gz RVVLDJSULUOTOT-MRVPVSSYSA-N 0 0 183.255 1.378 10 0 ADAERN CCCC[C@H]1[NH2+]CC[C@@H]1C(=O)[O-] 75421780 572845919 /nfs/dbraw/zinc/84/59/19/572845919.db2.gz ZBDPNTPQYZDKSC-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN O=Cc1occc1Cc1cn[nH]c1 75424266 572845922 /nfs/dbraw/zinc/84/59/22/572845922.db2.gz QDNAKGAUPLNBNQ-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN C/C=C/C(=O)OC[C@](F)(CC)CO 308152623 572845923 /nfs/dbraw/zinc/84/59/23/572845923.db2.gz JTIXYBUFASABIB-SGRBOOSSSA-N 0 0 190.214 1.216 10 0 ADAERN C[C@H]1CC[C@@]1([NH2+]CC1CC1)C(=O)[O-] 308152216 572845927 /nfs/dbraw/zinc/84/59/27/572845927.db2.gz RMAFRFWWMZRXFE-XVKPBYJWSA-N 0 0 183.251 1.239 10 0 ADAERN CCC(CC)[C@H]1[NH2+]CC[C@H]1C(=O)[O-] 75421789 572845959 /nfs/dbraw/zinc/84/59/59/572845959.db2.gz LFOTUTFRAKWFTB-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN COC(OC)[C@@](C)(O)C=C(C)C 86021992 572845966 /nfs/dbraw/zinc/84/59/66/572845966.db2.gz BTZBIFQOELWUJM-VIFPVBQESA-N 0 0 174.240 1.323 10 0 ADAERN CC[NH+](CC)[C@H](CC(F)F)C(=O)[O-] 308152939 572845983 /nfs/dbraw/zinc/84/59/83/572845983.db2.gz RWCUHCGTHBNFRP-ZCFIWIBFSA-N 0 0 195.209 1.437 10 0 ADAERN Nc1oc(C=O)cc1Cc1ccco1 75425050 572845984 /nfs/dbraw/zinc/84/59/84/572845984.db2.gz BVEFGQQGSUGLFU-UHFFFAOYSA-N 0 0 191.186 1.858 10 0 ADAERN N[C@@H]1C(=O)Sc2ccsc21 75426283 572845988 /nfs/dbraw/zinc/84/59/88/572845988.db2.gz MHMCWLYYDQCDPK-BYPYZUCNSA-N 0 0 171.246 1.380 10 0 ADAERN CC(=O)[C@H](C)n1cccc(C)c1=O 71516865 572845990 /nfs/dbraw/zinc/84/59/90/572845990.db2.gz OMYBZXKASNFWFT-QMMMGPOBSA-N 0 0 179.219 1.307 10 0 ADAERN CC(=O)[C@@H](C)n1cc(Cl)ccc1=O 71515951 572845997 /nfs/dbraw/zinc/84/59/97/572845997.db2.gz RBTLQKRTAXYZJR-ZCFIWIBFSA-N 0 0 199.637 1.652 10 0 ADAERN O=Cc1cc(Cc2cnoc2)co1 75424374 572845999 /nfs/dbraw/zinc/84/59/99/572845999.db2.gz UTZCKGYEFCGPDJ-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Nc1cc(C=O)oc1Cc1cnoc1 75424993 572846007 /nfs/dbraw/zinc/84/60/07/572846007.db2.gz PBKYTPHBVUJOLZ-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN C/C=C\[C@@H](C)[C@@H](O)C(=O)OC(C)C 308151804 572846010 /nfs/dbraw/zinc/84/60/10/572846010.db2.gz IYMLXZJVRPUNBU-JJKLJZTJSA-N 0 0 186.251 1.511 10 0 ADAERN C[C@H](O)/C=C\CCO[C@@H]1CCCO1 308152602 572846034 /nfs/dbraw/zinc/84/60/34/572846034.db2.gz JRQACRKVBSXGSZ-UVIRMYHISA-N 0 0 186.251 1.467 10 0 ADAERN O=Cc1ccc(Cc2ncco2)[nH]1 75425794 572846042 /nfs/dbraw/zinc/84/60/42/572846042.db2.gz HQIXJZPNXXMGES-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN CCCc1nnc(C[C@H](C)OC)o1 308152661 572846043 /nfs/dbraw/zinc/84/60/43/572846043.db2.gz AAMYCHAINOUUBM-ZETCQYMHSA-N 0 0 184.239 1.600 10 0 ADAERN Cn1ccc(CC2CC2)c1C=O 75425412 572846047 /nfs/dbraw/zinc/84/60/47/572846047.db2.gz NTKJUDKUPWQDMH-UHFFFAOYSA-N 0 0 163.220 1.790 10 0 ADAERN Cc1ncoc1Cc1ccc(C=O)o1 75424924 572846060 /nfs/dbraw/zinc/84/60/60/572846060.db2.gz XEQZTVKNSJOQCR-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Cc1cnc(Cc2coc(C=O)c2)o1 75424388 572846080 /nfs/dbraw/zinc/84/60/80/572846080.db2.gz DJCOWWXUPXWLHD-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN COC(=O)OCSc1ncc[nH]1 308151594 572846095 /nfs/dbraw/zinc/84/60/95/572846095.db2.gz NBNIXFBLKBAUEG-UHFFFAOYSA-N 0 0 188.208 1.242 10 0 ADAERN Cn1cc(Cc2ccoc2C=O)cn1 75424267 572846102 /nfs/dbraw/zinc/84/61/02/572846102.db2.gz BQCCLNXTIDBLIC-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN C[NH2+][C@@H](CCC(C)C)C(=O)[O-] 77261237 572846104 /nfs/dbraw/zinc/84/61/04/572846104.db2.gz NEBSZBVQOBTMPC-ZETCQYMHSA-N 0 0 159.229 1.095 10 0 ADAERN Nc1cc(C=O)oc1Cc1ccco1 75424950 572846114 /nfs/dbraw/zinc/84/61/14/572846114.db2.gz CGUDHBVLCZNMOB-UHFFFAOYSA-N 0 0 191.186 1.858 10 0 ADAERN O=Cc1ccc(CC(F)(F)F)[nH]1 75425713 572846118 /nfs/dbraw/zinc/84/61/18/572846118.db2.gz FILVGKFQHGCROC-UHFFFAOYSA-N 0 0 177.125 1.932 10 0 ADAERN Cc1c[nH]nc1Cc1ccc(C=O)o1 75424911 572846123 /nfs/dbraw/zinc/84/61/23/572846123.db2.gz QYHSHDUJAYIWMR-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN CC(C)(F)COC(=O)c1ccon1 308151821 572846124 /nfs/dbraw/zinc/84/61/24/572846124.db2.gz OUYXSVVQOFTTAO-UHFFFAOYSA-N 0 0 187.170 1.580 10 0 ADAERN CC[C@@H](O)C(=O)CC1(C)CCC1 307958930 572846127 /nfs/dbraw/zinc/84/61/27/572846127.db2.gz INLKZIRYSMTFNL-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN O=Cc1ccc(Cc2cnco2)o1 75424923 572846128 /nfs/dbraw/zinc/84/61/28/572846128.db2.gz UYUGKVRTHXVFOZ-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN CS[C@H](C)C(=O)O[C@@H]1CCOC1 308152085 572846136 /nfs/dbraw/zinc/84/61/36/572846136.db2.gz NCJIHSQXOGZFHU-RNFRBKRXSA-N 0 0 190.264 1.070 10 0 ADAERN Cc1ncc(Cc2cc[nH]c2C=O)o1 75425402 572846146 /nfs/dbraw/zinc/84/61/46/572846146.db2.gz WOFGXZYEIXCIAH-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN O=Cc1cc(Cc2ncco2)co1 75424386 572846167 /nfs/dbraw/zinc/84/61/67/572846167.db2.gz IWRMXVWIVBJJFH-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN CCCn1nccc1/C=C\CO 307959231 572846168 /nfs/dbraw/zinc/84/61/68/572846168.db2.gz UTBNWTOIAKGLON-ARJAWSKDSA-N 0 0 166.224 1.299 10 0 ADAERN CC(C)Cc1cc(C=O)oc1N 75425028 572846171 /nfs/dbraw/zinc/84/61/71/572846171.db2.gz MJRZTSUKERDRFC-UHFFFAOYSA-N 0 0 167.208 1.873 10 0 ADAERN Cn1ccc(Cc2cnco2)c1C=O 75425505 572846183 /nfs/dbraw/zinc/84/61/83/572846183.db2.gz DXMCEETZLFRGBT-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN CCCc1cc[nH]c1C=O 75425303 572846196 /nfs/dbraw/zinc/84/61/96/572846196.db2.gz FAQAYTDZOXQKSI-UHFFFAOYSA-N 0 0 137.182 1.780 10 0 ADAERN CC(=O)COC(=O)c1csc(C)n1 308151350 572846219 /nfs/dbraw/zinc/84/62/19/572846219.db2.gz ONROWJGVJOBJRH-UHFFFAOYSA-N 0 0 199.231 1.197 10 0 ADAERN CC(=O)COC(=O)C[C@H]1C[C@H]1C 307959141 572846246 /nfs/dbraw/zinc/84/62/46/572846246.db2.gz UNRVCNSWEAASMW-HTRCEHHLSA-N 0 0 170.208 1.165 10 0 ADAERN O=Cc1cc(Cc2cc[nH]n2)co1 75424391 572846252 /nfs/dbraw/zinc/84/62/52/572846252.db2.gz ZFGLIWNKZNHGAF-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Nc1[nH]c(C=O)cc1CC(F)(F)F 75426009 572846255 /nfs/dbraw/zinc/84/62/55/572846255.db2.gz TWUVJEGVVGSCQW-UHFFFAOYSA-N 0 0 192.140 1.514 10 0 ADAERN C[C@H]1CC[C@]1([NH2+]CC1CC1)C(=O)[O-] 308152209 572846260 /nfs/dbraw/zinc/84/62/60/572846260.db2.gz RMAFRFWWMZRXFE-OIBJUYFYSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1ncc(C(=O)c2ccc(N)o2)o1 75424824 572846266 /nfs/dbraw/zinc/84/62/66/572846266.db2.gz ZUNROIXQDHQWIZ-UHFFFAOYSA-N 0 0 192.174 1.389 10 0 ADAERN CC(=O)CCn1cc(Cl)ccc1=O 71516058 572846280 /nfs/dbraw/zinc/84/62/80/572846280.db2.gz QFVSVKGJYQJEEE-UHFFFAOYSA-N 0 0 199.637 1.481 10 0 ADAERN O=Cc1ccc(Cc2cn[nH]c2)o1 75424896 572846288 /nfs/dbraw/zinc/84/62/88/572846288.db2.gz MEICSCKBLGRDDY-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1ncc(Cc2ccc(C=O)o2)o1 75424921 572846294 /nfs/dbraw/zinc/84/62/94/572846294.db2.gz XTMCFPOINXJAMP-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Cc1ncoc1Cc1cc[nH]c1C=O 75425405 572846300 /nfs/dbraw/zinc/84/63/00/572846300.db2.gz NOSGQAOSZTWATQ-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN O=Cc1ccc(Cc2ccccn2)[nH]1 75425736 572846301 /nfs/dbraw/zinc/84/63/01/572846301.db2.gz LKIYXPNFXHJPJU-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN O=C1Cc2ccncc2S1 75426236 572846305 /nfs/dbraw/zinc/84/63/05/572846305.db2.gz AQUYQIPJDAGOAL-UHFFFAOYSA-N 0 0 151.190 1.256 10 0 ADAERN CCc1cc(C=O)oc1N 75425024 572846309 /nfs/dbraw/zinc/84/63/09/572846309.db2.gz IJDBYNJWGRDJJT-UHFFFAOYSA-N 0 0 139.154 1.237 10 0 ADAERN CC[C@@H](C)[N@H+](CCO)[C@H](C)C(C)=O 308152854 572846314 /nfs/dbraw/zinc/84/63/14/572846314.db2.gz RSTCWGJEXUXIFD-RKDXNWHRSA-N 0 0 187.283 1.057 10 0 ADAERN Cc1conc1C(=O)c1ccc(N)o1 75424793 572846327 /nfs/dbraw/zinc/84/63/27/572846327.db2.gz HDYWIZNQBWNVIR-UHFFFAOYSA-N 0 0 192.174 1.389 10 0 ADAERN Cn1ccc(Cc2ccc(C=O)[nH]2)c1 75425753 572846330 /nfs/dbraw/zinc/84/63/30/572846330.db2.gz KMICFVKAJJJYLS-UHFFFAOYSA-N 0 0 188.230 1.757 10 0 ADAERN CCNC(=O)COCc1cccs1 308152720 572846339 /nfs/dbraw/zinc/84/63/39/572846339.db2.gz ACRAPFGUQCHDMQ-UHFFFAOYSA-N 0 0 199.275 1.401 10 0 ADAERN Cn1cc(Cc2cnoc2)cc1C=O 75425576 572846351 /nfs/dbraw/zinc/84/63/51/572846351.db2.gz XTYAWZNAEUFGML-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN C[NH+](C)CCCNc1ccc(C=O)[nH]1 75492191 572848746 /nfs/dbraw/zinc/84/87/46/572848746.db2.gz FZCRJQGHGLUCKY-UHFFFAOYSA-N 0 0 195.266 1.191 10 0 ADAERN Cn1c(C=O)ccc1CC(F)(F)F 75425610 572846363 /nfs/dbraw/zinc/84/63/63/572846363.db2.gz IJHZTANIHKANFT-UHFFFAOYSA-N 0 0 191.152 1.942 10 0 ADAERN CCCC[C@@H]1[NH2+]CC[C@H]1C(=O)[O-] 75421779 572846367 /nfs/dbraw/zinc/84/63/67/572846367.db2.gz ZBDPNTPQYZDKSC-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN COc1cccc2c1SC(=O)C2 75426208 572846377 /nfs/dbraw/zinc/84/63/77/572846377.db2.gz COGPZPCKBJXWES-UHFFFAOYSA-N 0 0 180.228 1.870 10 0 ADAERN CC(=O)[C@H](C)n1cc(C)ccc1=O 71515558 572846396 /nfs/dbraw/zinc/84/63/96/572846396.db2.gz WEEJNNYGLXMHGU-QMMMGPOBSA-N 0 0 179.219 1.307 10 0 ADAERN O=Cc1cc(Cc2cnco2)co1 75424404 572846400 /nfs/dbraw/zinc/84/64/00/572846400.db2.gz JRCFFYRUXPXLRD-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Cc1conc1Cc1ccoc1C=O 75424260 572846405 /nfs/dbraw/zinc/84/64/05/572846405.db2.gz YKRKBZANOJDHBL-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CCCc1[nH]c(C=O)cc1N 75425817 572846424 /nfs/dbraw/zinc/84/64/24/572846424.db2.gz DYYZDYPUOQCHRK-UHFFFAOYSA-N 0 0 152.197 1.362 10 0 ADAERN CCCOC[C@@H](NN)C1(CC)CC1 308152900 572846426 /nfs/dbraw/zinc/84/64/26/572846426.db2.gz RTWWNHZZKBKHGP-SECBINFHSA-N 0 0 186.299 1.435 10 0 ADAERN CCON(C)C(=O)C[C@H](C)SC 308152130 572846429 /nfs/dbraw/zinc/84/64/29/572846429.db2.gz NDMRWRWHUQSAKA-ZETCQYMHSA-N 0 0 191.296 1.538 10 0 ADAERN CSC(C)(C)COC(=O)C(F)F 308145089 572848778 /nfs/dbraw/zinc/84/87/78/572848778.db2.gz JNFLNGBTDFRVCJ-UHFFFAOYSA-N 0 0 198.234 1.936 10 0 ADAERN Nc1n[nH]cc1C(=O)CCCCF 308152793 572846447 /nfs/dbraw/zinc/84/64/47/572846447.db2.gz RQVFKEVDKVPJDW-UHFFFAOYSA-N 0 0 185.202 1.314 10 0 ADAERN Cn1ccc(Cc2cc[nH]n2)c1C=O 75425492 572846449 /nfs/dbraw/zinc/84/64/49/572846449.db2.gz WNLUPMHVMOCZFV-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN Nc1cc(C=O)oc1Cc1cnco1 75425022 572846451 /nfs/dbraw/zinc/84/64/51/572846451.db2.gz YHFOONBMKDNPSW-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN O=Cc1ccc(Cc2ccon2)[nH]1 75425778 572846464 /nfs/dbraw/zinc/84/64/64/572846464.db2.gz JHUWQBUYMLEWBD-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Nc1oc(C=O)cc1Cc1ccon1 75425089 572846474 /nfs/dbraw/zinc/84/64/74/572846474.db2.gz DPBZJRQBVYMLPU-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN CCCc1cc(C=O)[nH]c1N 75426010 572846480 /nfs/dbraw/zinc/84/64/80/572846480.db2.gz WXSLMVSOCANCCO-UHFFFAOYSA-N 0 0 152.197 1.362 10 0 ADAERN O=Cc1ccc(Cc2ncco2)o1 75424905 572846483 /nfs/dbraw/zinc/84/64/83/572846483.db2.gz UWTFTSVIFRKSLL-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN O=Cc1ccc(Cc2cc[nH]n2)o1 75424910 572846501 /nfs/dbraw/zinc/84/65/01/572846501.db2.gz LIZGKDKFPOZVFE-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1c[nH]nc1Cc1coc(C=O)c1 75424392 572846504 /nfs/dbraw/zinc/84/65/04/572846504.db2.gz DILVPBQXMPQCKK-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Nc1[nH]c(C=O)cc1Cc1ccco1 75426032 572846512 /nfs/dbraw/zinc/84/65/12/572846512.db2.gz QOJPVNNZCUTBLK-UHFFFAOYSA-N 0 0 190.202 1.593 10 0 ADAERN CC(=O)[C@@H](C)n1cc(C)ccc1=O 71515559 572846515 /nfs/dbraw/zinc/84/65/15/572846515.db2.gz WEEJNNYGLXMHGU-MRVPVSSYSA-N 0 0 179.219 1.307 10 0 ADAERN CCN(CC)C(=O)N[C@@H](C)C(C)=O 85958879 572846518 /nfs/dbraw/zinc/84/65/18/572846518.db2.gz WXRMMEQEFUKDIR-ZETCQYMHSA-N 0 0 186.255 1.015 10 0 ADAERN CCN(CC)C(=O)N[C@H](C)C(C)=O 85958881 572846523 /nfs/dbraw/zinc/84/65/23/572846523.db2.gz WXRMMEQEFUKDIR-SSDOTTSWSA-N 0 0 186.255 1.015 10 0 ADAERN CCCc1cc(C=O)oc1N 75425027 572846552 /nfs/dbraw/zinc/84/65/52/572846552.db2.gz CGWJYDQPXZZPRM-UHFFFAOYSA-N 0 0 153.181 1.627 10 0 ADAERN CC(=O)NCCOC1(C)CCC1 307959255 572846556 /nfs/dbraw/zinc/84/65/56/572846556.db2.gz UUMCURUQFWBHRX-UHFFFAOYSA-N 0 0 171.240 1.082 10 0 ADAERN C/C=C/[C@@H](C)[C@@H](O)C(=O)OC(C)C 308151806 572846582 /nfs/dbraw/zinc/84/65/82/572846582.db2.gz IYMLXZJVRPUNBU-JKKBLNIGSA-N 0 0 186.251 1.511 10 0 ADAERN Nc1ccc(C(=O)c2ccccn2)o1 75424738 572846585 /nfs/dbraw/zinc/84/65/85/572846585.db2.gz RHVWQAXNGSYWJM-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN N[C@H]1C(=O)Sc2ccccc21 75426248 572846594 /nfs/dbraw/zinc/84/65/94/572846594.db2.gz OKVURTIPRNAVOL-SSDOTTSWSA-N 0 0 165.217 1.319 10 0 ADAERN O=Cc1[nH]ccc1Cc1cc[nH]n1 75425391 572846603 /nfs/dbraw/zinc/84/66/03/572846603.db2.gz GMOZGMAQXVTILI-UHFFFAOYSA-N 0 0 175.191 1.141 10 0 ADAERN CC(C)=CC(=O)NCCCCF 307959311 572846604 /nfs/dbraw/zinc/84/66/04/572846604.db2.gz JDSKWFXDYXFXIG-UHFFFAOYSA-N 0 0 173.231 1.819 10 0 ADAERN CCCc1oc(C=O)cc1N 75424928 572846649 /nfs/dbraw/zinc/84/66/49/572846649.db2.gz QLVGQSLDNHDDAX-UHFFFAOYSA-N 0 0 153.181 1.627 10 0 ADAERN Nc1cc(C=O)oc1CC1CC1 75424932 572846639 /nfs/dbraw/zinc/84/66/39/572846639.db2.gz KLJNGLVXPQYKRK-UHFFFAOYSA-N 0 0 165.192 1.627 10 0 ADAERN Cc1cnc(Cc2cc[nH]c2C=O)o1 75425388 572846652 /nfs/dbraw/zinc/84/66/52/572846652.db2.gz JDSWZIBMPFCRPX-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN O=C([O-])C[NH2+][C@H]1C=CCCCCC1 308151898 572846655 /nfs/dbraw/zinc/84/66/55/572846655.db2.gz JLNPJMFWSMAEST-VIFPVBQESA-N 0 0 183.251 1.550 10 0 ADAERN Cc1cnc(Cc2ccoc2C=O)o1 75424277 572846657 /nfs/dbraw/zinc/84/66/57/572846657.db2.gz JMWITIRUPDTOEH-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CSCCC(=O)O[C@@H]1CCOC1 308152089 572846669 /nfs/dbraw/zinc/84/66/69/572846669.db2.gz NCRVGBNGYSMYSQ-SSDOTTSWSA-N 0 0 190.264 1.072 10 0 ADAERN O=Cc1ccc(Cc2cnoc2)o1 75424893 572846683 /nfs/dbraw/zinc/84/66/83/572846683.db2.gz XSGCUQPDHBHBGQ-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Cc1coc(Cc2coc(C=O)c2)n1 75424387 572846691 /nfs/dbraw/zinc/84/66/91/572846691.db2.gz VBRNQYQOIQMLJP-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CCC(CC)[C@@H]1[NH2+]CC[C@@H]1C(=O)[O-] 75421792 572846700 /nfs/dbraw/zinc/84/67/00/572846700.db2.gz LFOTUTFRAKWFTB-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN Cn1c(C=O)ccc1Cc1cnoc1 75425680 572846712 /nfs/dbraw/zinc/84/67/12/572846712.db2.gz UAGWEHZNNCDBKD-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Cn1ccc(Cc2cc[nH]c2C=O)c1 75425344 572846717 /nfs/dbraw/zinc/84/67/17/572846717.db2.gz TXMGCBQUZUNSBE-UHFFFAOYSA-N 0 0 188.230 1.757 10 0 ADAERN Cn1ccc(C(=O)c2ccc(N)o2)c1 75424768 572846729 /nfs/dbraw/zinc/84/67/29/572846729.db2.gz WINDQUQQLZLDEB-UHFFFAOYSA-N 0 0 190.202 1.431 10 0 ADAERN COc1cccc([C@@H](O)C(C)(C)O)c1 234876115 572846735 /nfs/dbraw/zinc/84/67/35/572846735.db2.gz MCAJIPNBCWIWTO-SNVBAGLBSA-N 0 0 196.246 1.500 10 0 ADAERN Cc1cc(Cc2ccoc2C=O)n[nH]1 75424283 572846747 /nfs/dbraw/zinc/84/67/47/572846747.db2.gz SHKILNQYTLFIDZ-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN C[C@H](N[C@@H]1CCCC[C@H]1O)C(F)F 299899428 572846749 /nfs/dbraw/zinc/84/67/49/572846749.db2.gz ZEEVKHSOZYWNIB-XLPZGREQSA-N 0 0 193.237 1.533 10 0 ADAERN CC[C@H]1CC[C@H]([NH2+][C@H](C)C(=O)[O-])C1 308151680 572846750 /nfs/dbraw/zinc/84/67/50/572846750.db2.gz RDAPFXKTHNLFFM-VGMNWLOBSA-N 0 0 185.267 1.628 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1COC(=O)CO 308151399 572847017 /nfs/dbraw/zinc/84/70/17/572847017.db2.gz OQLIGEXEIMPMOI-PSASIEDQSA-N 0 0 186.251 1.204 10 0 ADAERN Cn1c(C=O)cc(CC2CC2)c1N 75426112 572846756 /nfs/dbraw/zinc/84/67/56/572846756.db2.gz AZHZRRKRCLAHES-UHFFFAOYSA-N 0 0 178.235 1.372 10 0 ADAERN CC(=O)COC(=O)C[C@H]1C[C@@H]1C 307959142 572846768 /nfs/dbraw/zinc/84/67/68/572846768.db2.gz UNRVCNSWEAASMW-POYBYMJQSA-N 0 0 170.208 1.165 10 0 ADAERN Cc1ncc(Cc2coc(C=O)c2)o1 75424402 572846769 /nfs/dbraw/zinc/84/67/69/572846769.db2.gz ZIJNJLKDFIWCKU-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN O[C@]1(c2cncnc2)[C@H]2CCCC[C@H]21 299899419 572846775 /nfs/dbraw/zinc/84/67/75/572846775.db2.gz ZAVBWHYHOHZOCB-URLYPYJESA-N 0 0 190.246 1.484 10 0 ADAERN Nc1oc(C=O)cc1Cc1cnoc1 75425093 572846776 /nfs/dbraw/zinc/84/67/76/572846776.db2.gz JYWRKJMONZJLQV-UHFFFAOYSA-N 0 0 192.174 1.253 10 0 ADAERN COCC(=O)CCCC[C@@H](C)O 307963663 572846777 /nfs/dbraw/zinc/84/67/77/572846777.db2.gz OXFUZRTUEARBBH-MRVPVSSYSA-N 0 0 174.240 1.143 10 0 ADAERN Cc1n[nH]cc1Cc1ccc(C=O)o1 75424898 572846786 /nfs/dbraw/zinc/84/67/86/572846786.db2.gz NSUDDNJQKLTJRS-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN Nc1ccc(C(=O)c2cncs2)o1 75424822 572846800 /nfs/dbraw/zinc/84/68/00/572846800.db2.gz FHHOUUZAYDTPEQ-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN Cc1cc(Cc2ccc(C=O)[nH]2)no1 75425777 572846810 /nfs/dbraw/zinc/84/68/10/572846810.db2.gz RZAJYYZPCVFKOF-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN O=Cc1[nH]ccc1Cc1ncco1 75425386 572846815 /nfs/dbraw/zinc/84/68/15/572846815.db2.gz BCXMXVRTXGVMBR-UHFFFAOYSA-N 0 0 176.175 1.406 10 0 ADAERN Cc1c[nH]nc1Cc1cc[nH]c1C=O 75425392 572846823 /nfs/dbraw/zinc/84/68/23/572846823.db2.gz QOHBIBWFMFTPRV-UHFFFAOYSA-N 0 0 189.218 1.450 10 0 ADAERN Cc1nocc1Cc1ccc(C=O)[nH]1 75425783 572846827 /nfs/dbraw/zinc/84/68/27/572846827.db2.gz ZFLZLZSJXQCIHW-UHFFFAOYSA-N 0 0 190.202 1.714 10 0 ADAERN CC(=O)Cc1cnn(C)c1C(C)(C)C 107183798 572846834 /nfs/dbraw/zinc/84/68/34/572846834.db2.gz RMNUZGUYAHRPDL-UHFFFAOYSA-N 0 0 194.278 1.849 10 0 ADAERN CCC1N=C(C(C)=O)C(=O)O1 77260849 572846837 /nfs/dbraw/zinc/84/68/37/572846837.db2.gz PPRVADHGBVOAIL-UHFFFAOYSA-N 0 0 155.153 1.145 10 0 ADAERN Nc1ccc(C(=O)C(F)(F)F)o1 75424674 572846842 /nfs/dbraw/zinc/84/68/42/572846842.db2.gz NJGBMQMLSJLEAM-UHFFFAOYSA-N 0 0 179.097 1.607 10 0 ADAERN CC(=O)Cn1cc(Cl)ccc1=O 71515948 572846851 /nfs/dbraw/zinc/84/68/51/572846851.db2.gz VLCAUGWOYQPGCB-UHFFFAOYSA-N 0 0 185.610 1.091 10 0 ADAERN Cc1n[nH]cc1Cc1ccc(C=O)[nH]1 75425787 572846858 /nfs/dbraw/zinc/84/68/58/572846858.db2.gz SQQPUVPKSAGKSI-UHFFFAOYSA-N 0 0 189.218 1.450 10 0 ADAERN O=c1cc2[nH]cccc-2s1 75426235 572846861 /nfs/dbraw/zinc/84/68/61/572846861.db2.gz DCKWNORMWNLMBV-UHFFFAOYSA-N 0 0 151.190 1.256 10 0 ADAERN CC(=O)[C@H](C)n1cc(Cl)ccc1=O 71515950 572846867 /nfs/dbraw/zinc/84/68/67/572846867.db2.gz RBTLQKRTAXYZJR-LURJTMIESA-N 0 0 199.637 1.652 10 0 ADAERN Cn1cc(Cc2ncco2)cc1C=O 75425588 572846879 /nfs/dbraw/zinc/84/68/79/572846879.db2.gz MVTXANUYEHHSAN-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN Nc1ccc(C(=O)c2ccon2)o1 75424792 572846884 /nfs/dbraw/zinc/84/68/84/572846884.db2.gz ZLFTVGWYHLMCED-UHFFFAOYSA-N 0 0 178.147 1.081 10 0 ADAERN Cc1cc(C(=O)c2ccc(N)o2)n[nH]1 75424816 572846896 /nfs/dbraw/zinc/84/68/96/572846896.db2.gz AVBNHGDBBCEKAH-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN Cc1cc2c(cc1F)SC(=O)[C@H]2N 75426268 572846907 /nfs/dbraw/zinc/84/69/07/572846907.db2.gz CNCRNLSIGQQHGR-QMMMGPOBSA-N 0 0 197.234 1.766 10 0 ADAERN Cc1ncc(Cc2ccoc2C=O)o1 75424291 572846915 /nfs/dbraw/zinc/84/69/15/572846915.db2.gz JTRZFKKPEKTFAA-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN O=C1Cc2cc3c(cc2S1)OCO3 75426213 572846920 /nfs/dbraw/zinc/84/69/20/572846920.db2.gz WVYAIZHYBAQVJT-UHFFFAOYSA-N 0 0 194.211 1.590 10 0 ADAERN O=Cc1occc1Cc1cnoc1 75424263 572846924 /nfs/dbraw/zinc/84/69/24/572846924.db2.gz UIDKYKFAEPRGNH-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN O=Cc1occc1Cc1ncco1 75424275 572846928 /nfs/dbraw/zinc/84/69/28/572846928.db2.gz MOMBTFZVEFCBEQ-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Cc1c[nH]nc1C(=O)c1ccc(N)o1 75424814 572846943 /nfs/dbraw/zinc/84/69/43/572846943.db2.gz PAQJLEZBWWIIGN-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN Cn1cc(Cc2cn[nH]c2)cc1C=O 75425579 572846946 /nfs/dbraw/zinc/84/69/46/572846946.db2.gz OADQINRQSZGFNH-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN C[C@H](O)/C=C\CCO[C@H]1CCCO1 308152604 572846984 /nfs/dbraw/zinc/84/69/84/572846984.db2.gz JRQACRKVBSXGSZ-XRMSOAODSA-N 0 0 186.251 1.467 10 0 ADAERN Cc1nocc1Cc1ccoc1C=O 75424264 572846996 /nfs/dbraw/zinc/84/69/96/572846996.db2.gz OKWUAIBGCLQLOO-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN Cc1cc(Cc2ccoc2C=O)no1 75424258 572847006 /nfs/dbraw/zinc/84/70/06/572847006.db2.gz FSXQZUPZQCKFGW-UHFFFAOYSA-N 0 0 191.186 1.979 10 0 ADAERN CC(C)CCn1nncc1[C@H](C)O 308152936 572847007 /nfs/dbraw/zinc/84/70/07/572847007.db2.gz RVVLDJSULUOTOT-QMMMGPOBSA-N 0 0 183.255 1.378 10 0 ADAERN CCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1O 308151549 572847037 /nfs/dbraw/zinc/84/70/37/572847037.db2.gz IJSXUGKFMAVAMK-HRDYMLBCSA-N 0 0 186.251 1.489 10 0 ADAERN CC(=O)OC/C=C\CCCCCO 308151180 572847074 /nfs/dbraw/zinc/84/70/74/572847074.db2.gz IYLMBRLHFQACQD-ALCCZGGFSA-N 0 0 186.251 1.658 10 0 ADAERN CCC[C@H]([NH2+][C@@H]1CC[C@H]1C)C(=O)[O-] 308151289 572847080 /nfs/dbraw/zinc/84/70/80/572847080.db2.gz RBPABJKQIMUDSH-HLTSFMKQSA-N 0 0 185.267 1.628 10 0 ADAERN O=C(/C=C\C1CC1)N1CCCC1 308151560 572847098 /nfs/dbraw/zinc/84/70/98/572847098.db2.gz MZZWADFKAHAWQO-WAYWQWQTSA-N 0 0 165.236 1.575 10 0 ADAERN CC(=O)Cc1cc(C(C)(C)C)n(C)n1 107183794 572847106 /nfs/dbraw/zinc/84/71/06/572847106.db2.gz BJYMAGKIAODNGD-UHFFFAOYSA-N 0 0 194.278 1.849 10 0 ADAERN FC(F)CCNC(=S)NC1CC1 308152510 572847177 /nfs/dbraw/zinc/84/71/77/572847177.db2.gz NHYMMFBAOQSFMX-UHFFFAOYSA-N 0 0 194.250 1.268 10 0 ADAERN CC[C@H](O)C(=O)CC1(C)CCC1 307958931 572847189 /nfs/dbraw/zinc/84/71/89/572847189.db2.gz INLKZIRYSMTFNL-QMMMGPOBSA-N 0 0 170.252 1.907 10 0 ADAERN C[NH2+][C@H](CCC(C)C)C(=O)[O-] 77261239 572847213 /nfs/dbraw/zinc/84/72/13/572847213.db2.gz NEBSZBVQOBTMPC-SSDOTTSWSA-N 0 0 159.229 1.095 10 0 ADAERN CCN(CC[C@H](C)F)S(C)(=O)=O 307959261 572847235 /nfs/dbraw/zinc/84/72/35/572847235.db2.gz UUUCZIDTIMUCTB-ZETCQYMHSA-N 0 0 197.275 1.016 10 0 ADAERN CCn1cc(C)ccc1=O 71515548 572847245 /nfs/dbraw/zinc/84/72/45/572847245.db2.gz CXJLKKXQNZSOND-UHFFFAOYSA-N 0 0 137.182 1.177 10 0 ADAERN COCC(=O)O[C@H]1CCCSC1 308151414 572847248 /nfs/dbraw/zinc/84/72/48/572847248.db2.gz MXWIEFATLIBYKH-ZETCQYMHSA-N 0 0 190.264 1.072 10 0 ADAERN COCn1ccc2ccccc2c1=O 71514323 572847265 /nfs/dbraw/zinc/84/72/65/572847265.db2.gz GXRBPHNXGBTBNS-UHFFFAOYSA-N 0 0 189.214 1.605 10 0 ADAERN C/C(=C\[C@H](C)[C@H](O)CC(C)C)CO 308153071 572847287 /nfs/dbraw/zinc/84/72/87/572847287.db2.gz JZBWZEWDFYPALX-MXJKNTAJSA-N 0 0 186.295 1.968 10 0 ADAERN CCNc1cc(C=O)cs1 75491124 572847299 /nfs/dbraw/zinc/84/72/99/572847299.db2.gz OICUDNXLCAHJGC-UHFFFAOYSA-N 0 0 155.222 1.992 10 0 ADAERN CC(=O)[C@@H](C)n1cccc(C)c1=O 71516866 572847302 /nfs/dbraw/zinc/84/73/02/572847302.db2.gz OMYBZXKASNFWFT-MRVPVSSYSA-N 0 0 179.219 1.307 10 0 ADAERN CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)C(=O)[O-] 308151642 572847316 /nfs/dbraw/zinc/84/73/16/572847316.db2.gz RBPABJKQIMUDSH-YIZRAAEISA-N 0 0 185.267 1.628 10 0 ADAERN CCON(C)C(=O)C[C@@H](C)SC 308152126 572847328 /nfs/dbraw/zinc/84/73/28/572847328.db2.gz NDMRWRWHUQSAKA-SSDOTTSWSA-N 0 0 191.296 1.538 10 0 ADAERN Cc1cnc(-c2cc(C=O)c(N)o2)o1 75427270 572847375 /nfs/dbraw/zinc/84/73/75/572847375.db2.gz UTUHAIYNXZGAAO-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN C[C@@H](CC(F)F)NC(=O)N1CCC1 308151829 572847391 /nfs/dbraw/zinc/84/73/91/572847391.db2.gz OVRJCGULBVPTPH-LURJTMIESA-N 0 0 192.209 1.445 10 0 ADAERN CS[C@H](C)C(=O)O[C@H]1CCOC1 308152086 572847394 /nfs/dbraw/zinc/84/73/94/572847394.db2.gz NCJIHSQXOGZFHU-RQJHMYQMSA-N 0 0 190.264 1.070 10 0 ADAERN C/C=C\C(=O)OCC1(C)COC1 307959506 572849142 /nfs/dbraw/zinc/84/91/42/572849142.db2.gz VAHWDWSQPVPZER-ARJAWSKDSA-N 0 0 170.208 1.142 10 0 ADAERN CCNc1cc(N)cs1 75491054 572847417 /nfs/dbraw/zinc/84/74/17/572847417.db2.gz YHTCCGYTNYRBHI-UHFFFAOYSA-N 0 0 142.227 1.762 10 0 ADAERN C/C(=C/[C@H](C)[C@H](O)CC(C)C)CO 308153069 572847437 /nfs/dbraw/zinc/84/74/37/572847437.db2.gz JZBWZEWDFYPALX-JDEZKBKISA-N 0 0 186.295 1.968 10 0 ADAERN CCCC[C@@](C)([NH3+])CC(=O)[O-] 77261234 572847444 /nfs/dbraw/zinc/84/74/44/572847444.db2.gz XLLROFPOELEXCD-MRVPVSSYSA-N 0 0 159.229 1.369 10 0 ADAERN C/C=C\C(=O)N[C@@H](C)c1cn[nH]c1 308152298 572847478 /nfs/dbraw/zinc/84/74/78/572847478.db2.gz KGTNBYOLGOGJPD-AVALRIAPSA-N 0 0 179.223 1.163 10 0 ADAERN Nc1csc(C(=O)c2cc[nH]n2)c1 75491240 572847479 /nfs/dbraw/zinc/84/74/79/572847479.db2.gz XQTIGRBDBHBBEL-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN Nc1c2c(cc3ccoc13)OCCO2 75428020 572847506 /nfs/dbraw/zinc/84/75/06/572847506.db2.gz NTPAQWIFAOCVRP-UHFFFAOYSA-N 0 0 191.186 1.786 10 0 ADAERN Cc1ccc(=O)n(C(C)C)c1 71515547 572847585 /nfs/dbraw/zinc/84/75/85/572847585.db2.gz UNDKGEVJBZOPKO-UHFFFAOYSA-N 0 0 151.209 1.738 10 0 ADAERN Nc1csc(N2CCOCC2)c1 75491037 572847587 /nfs/dbraw/zinc/84/75/87/572847587.db2.gz LEFWICGJBALJBQ-UHFFFAOYSA-N 0 0 184.264 1.167 10 0 ADAERN Cc1n[nH]cc1-c1cc(C=O)c(N)o1 75427280 572847608 /nfs/dbraw/zinc/84/76/08/572847608.db2.gz RSNCYAIKSHHDCO-UHFFFAOYSA-N 0 0 191.190 1.373 10 0 ADAERN COc1c(N)ccc2c1CCO2 75428057 572847614 /nfs/dbraw/zinc/84/76/14/572847614.db2.gz PEQVSNFKQYRQFH-UHFFFAOYSA-N 0 0 165.192 1.212 10 0 ADAERN CCC[C@H]([NH2+][C@H]1CC[C@H]1C)C(=O)[O-] 308151641 572847628 /nfs/dbraw/zinc/84/76/28/572847628.db2.gz RBPABJKQIMUDSH-VGMNWLOBSA-N 0 0 185.267 1.628 10 0 ADAERN Nc1cc2c(c3ccoc13)OCCO2 75428017 572847680 /nfs/dbraw/zinc/84/76/80/572847680.db2.gz NLXRZWRNNBFCAL-UHFFFAOYSA-N 0 0 191.186 1.786 10 0 ADAERN CSCCC(=O)Nn1cccc1 308152956 572847694 /nfs/dbraw/zinc/84/76/94/572847694.db2.gz NJJDOUPUFYNPST-UHFFFAOYSA-N 0 0 184.264 1.311 10 0 ADAERN CC[C@H](C)[N@H+](CCO)[C@H](C)C(C)=O 308152850 572847737 /nfs/dbraw/zinc/84/77/37/572847737.db2.gz RSTCWGJEXUXIFD-DTWKUNHWSA-N 0 0 187.283 1.057 10 0 ADAERN CCOCCN(C)c1ccc(C=O)o1 87978094 572847758 /nfs/dbraw/zinc/84/77/58/572847758.db2.gz QJYZUKQKFKPNJD-UHFFFAOYSA-N 0 0 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HSQNHVIMFWJKJR-UHFFFAOYSA-N 0 0 194.259 1.789 10 0 ADAERN C[C@@H](F)CCSc1ncnn1C 307960299 572849038 /nfs/dbraw/zinc/84/90/38/572849038.db2.gz VXRNGQOMGFZVGJ-ZCFIWIBFSA-N 0 0 189.259 1.655 10 0 ADAERN C[C@H](O)CCC[C@@H]1CSC[C@H]1O 307959602 572849044 /nfs/dbraw/zinc/84/90/44/572849044.db2.gz JKLGGYGUTHXKPH-DJLDLDEBSA-N 0 0 190.308 1.261 10 0 ADAERN CO[C@@H](C)CCN[C@@H](C)C(F)F 308144811 572849051 /nfs/dbraw/zinc/84/90/51/572849051.db2.gz JGOCFZWSLYUMHV-BQBZGAKWSA-N 0 0 181.226 1.655 10 0 ADAERN CC1=C[C@H](C)C[C@H]([C@@H]2COC(N)=N2)C1 235362573 572849064 /nfs/dbraw/zinc/84/90/64/572849064.db2.gz LIEORGOHANYMGU-HGNGGELXSA-N 0 0 194.278 1.692 10 0 ADAERN CC(C)CC(=O)Cn1cccn1 77262070 572849088 /nfs/dbraw/zinc/84/90/88/572849088.db2.gz WFXLDZDYFSEBFB-UHFFFAOYSA-N 0 0 166.224 1.498 10 0 ADAERN COCCNc1cc(C=O)cs1 75491139 572849091 /nfs/dbraw/zinc/84/90/91/572849091.db2.gz JMDOEELOUSGOQT-UHFFFAOYSA-N 0 0 185.248 1.619 10 0 ADAERN CCOCCN(C)CC(=O)C(C)C 87978515 572849096 /nfs/dbraw/zinc/84/90/96/572849096.db2.gz FVZWSOUUHTVIOC-UHFFFAOYSA-N 0 0 187.283 1.180 10 0 ADAERN COC(C)(C)C[C@@H]1C[C@H]1CO 234614019 572849113 /nfs/dbraw/zinc/84/91/13/572849113.db2.gz NQJCXJCSENUZPO-YUMQZZPRSA-N 0 0 158.241 1.430 10 0 ADAERN CO[C@H](C)CCN[C@@H](C)C(F)F 308144814 572849114 /nfs/dbraw/zinc/84/91/14/572849114.db2.gz JGOCFZWSLYUMHV-RQJHMYQMSA-N 0 0 181.226 1.655 10 0 ADAERN COc1cc(N)c2c(c1OC)CCO2 75428062 572849154 /nfs/dbraw/zinc/84/91/54/572849154.db2.gz DNOSIVMVIDOWPW-UHFFFAOYSA-N 0 0 195.218 1.221 10 0 ADAERN CCOC[C@H](C)OC(=O)C(C)C 308145088 572849155 /nfs/dbraw/zinc/84/91/55/572849155.db2.gz JNBQEJHIQXVLMW-QMMMGPOBSA-N 0 0 174.240 1.611 10 0 ADAERN CC(C)/C=C/C(=O)NC[C@@H]1C[C@H]1C 308144903 572849223 /nfs/dbraw/zinc/84/92/23/572849223.db2.gz LBRRQCXXJUOFCC-CFUOYWMPSA-N 0 0 181.279 1.971 10 0 ADAERN CCC/C=C\C[C@H](O)C(=O)OC 199178896 572849225 /nfs/dbraw/zinc/84/92/25/572849225.db2.gz SCKLVLQWIIQKCV-SLGIHZDVSA-N 0 0 172.224 1.267 10 0 ADAERN CCCN[C@H](C=C(C)C)c1nc[nH]n1 86057634 572849229 /nfs/dbraw/zinc/84/92/29/572849229.db2.gz GARNKGBZVZTBKT-SECBINFHSA-N 0 0 194.282 1.812 10 0 ADAERN Cc1ncc2c(n1)CC(C)(C)CC2=O 50093858 572849250 /nfs/dbraw/zinc/84/92/50/572849250.db2.gz WEMKPAWINOMSLF-UHFFFAOYSA-N 0 0 190.246 1.940 10 0 ADAERN CC(C)/C=C\C(=O)N[C@H]1CCOC1 308153452 572849254 /nfs/dbraw/zinc/84/92/54/572849254.db2.gz PTTAVIJNZIJXIK-TYRPZCRBSA-N 0 0 183.251 1.104 10 0 ADAERN CC(C)n1c(=O)oc2cccnc21 71527352 572849304 /nfs/dbraw/zinc/84/93/04/572849304.db2.gz RDTWJEWUAMWULO-UHFFFAOYSA-N 0 0 178.191 1.570 10 0 ADAERN CCN[C@H](C=C(C)C)c1nc[nH]n1 86057624 572849305 /nfs/dbraw/zinc/84/93/05/572849305.db2.gz PDYRFYSMFJHZQA-MRVPVSSYSA-N 0 0 180.255 1.422 10 0 ADAERN NN[C@H](CCCCF)c1cn[nH]c1 308144697 572849336 /nfs/dbraw/zinc/84/93/36/572849336.db2.gz NGZBEYZXEYCAMD-MRVPVSSYSA-N 0 0 186.234 1.054 10 0 ADAERN CCNc1ccc(C=O)s1 75490988 572849360 /nfs/dbraw/zinc/84/93/60/572849360.db2.gz VEKWGSUMUUWAIZ-UHFFFAOYSA-N 0 0 155.222 1.992 10 0 ADAERN COCCc1[nH]cc(C=O)c1SC 75483956 572849370 /nfs/dbraw/zinc/84/93/70/572849370.db2.gz DLMFKOFBOUXYON-UHFFFAOYSA-N 0 0 199.275 1.738 10 0 ADAERN CC(C)Nc1ccc(C=O)[nH]1 75492177 572849389 /nfs/dbraw/zinc/84/93/89/572849389.db2.gz ODPLHDQUQJBPJK-UHFFFAOYSA-N 0 0 152.197 1.648 10 0 ADAERN C[NH+](C)CCNc1cc(N)cs1 75491061 572849889 /nfs/dbraw/zinc/84/98/89/572849889.db2.gz JFAOTYQPYGTTOH-UHFFFAOYSA-N 0 0 185.296 1.304 10 0 ADAERN Nc1csc(C(=O)c2ccon2)c1 75491190 572849456 /nfs/dbraw/zinc/84/94/56/572849456.db2.gz WQCGLIZLZVLWIY-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN CSCC(=O)OCC(=O)C(C)C 308144850 572849482 /nfs/dbraw/zinc/84/94/82/572849482.db2.gz JIVUOVCDSKEFJB-UHFFFAOYSA-N 0 0 190.264 1.118 10 0 ADAERN Nc1csc(NC[C@H]2CCCO2)c1 75491092 572849501 /nfs/dbraw/zinc/84/95/01/572849501.db2.gz WSTKZIYLUNTBIQ-MRVPVSSYSA-N 0 0 198.291 1.921 10 0 ADAERN COc1ccc([C@@H](O)C(C)C)nn1 234878968 572849521 /nfs/dbraw/zinc/84/95/21/572849521.db2.gz GSQYGWFJPFZIDW-VIFPVBQESA-N 0 0 182.223 1.175 10 0 ADAERN C/C=C/C(=O)OCC1(C)COC1 307959508 572849557 /nfs/dbraw/zinc/84/95/57/572849557.db2.gz VAHWDWSQPVPZER-ONEGZZNKSA-N 0 0 170.208 1.142 10 0 ADAERN O[C@@H](CCCCF)[C@@H]1CCCOC1 308144561 572850794 /nfs/dbraw/zinc/85/07/94/572850794.db2.gz NDUVSKZLMNZTHR-ZJUUUORDSA-N 0 0 190.258 1.914 10 0 ADAERN Cc1c[nH]c2sc(C=O)cc2c1=O 75492045 572849584 /nfs/dbraw/zinc/84/95/84/572849584.db2.gz CFTBRHRXRIUIPD-UHFFFAOYSA-N 0 0 193.227 1.711 10 0 ADAERN C[C@H](O)CCC[C@@H]1CSC[C@@H]1O 307959604 572849593 /nfs/dbraw/zinc/84/95/93/572849593.db2.gz JKLGGYGUTHXKPH-YIZRAAEISA-N 0 0 190.308 1.261 10 0 ADAERN C[C@@H](CCO)[NH2+][C@H]1CCC[C@H]1F 393484790 572849638 /nfs/dbraw/zinc/84/96/38/572849638.db2.gz WQQIJHNZFCXTIY-YIZRAAEISA-N 0 0 175.247 1.238 10 0 ADAERN CC(C)/C=C\C(=O)NC[C@@H]1C[C@H]1C 308144905 572849644 /nfs/dbraw/zinc/84/96/44/572849644.db2.gz LBRRQCXXJUOFCC-OOMSKYPHSA-N 0 0 181.279 1.971 10 0 ADAERN O=Cc1ccc(NC[C@@H]2CCCO2)[nH]1 75492211 572849647 /nfs/dbraw/zinc/84/96/47/572849647.db2.gz VKDVUQUFYREXDA-VIFPVBQESA-N 0 0 194.234 1.418 10 0 ADAERN Nc1csc(C(=O)c2cnco2)c1 75491281 572849659 /nfs/dbraw/zinc/84/96/59/572849659.db2.gz YSLYFDUQUJLWNS-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN Cc1cc2c(=O)n(C)c(C)nc2s1 71527751 572849671 /nfs/dbraw/zinc/84/96/71/572849671.db2.gz DRDYUWQSPUGPIN-UHFFFAOYSA-N 0 0 194.259 1.612 10 0 ADAERN COc1c(Cl)cc(N)c2c1CCO2 75428074 572849717 /nfs/dbraw/zinc/84/97/17/572849717.db2.gz RCXJJJFKJZMYGI-UHFFFAOYSA-N 0 0 199.637 1.866 10 0 ADAERN C[C@H](F)CCSc1ncnn1C 307960298 572849719 /nfs/dbraw/zinc/84/97/19/572849719.db2.gz VXRNGQOMGFZVGJ-LURJTMIESA-N 0 0 189.259 1.655 10 0 ADAERN C/C=C(/C=C/C(=O)N1CC1)CC 307959669 572849738 /nfs/dbraw/zinc/84/97/38/572849738.db2.gz VGXVZPYBWOQPQQ-XPVIYQEVSA-N 0 0 165.236 1.741 10 0 ADAERN CCCc1[nH]ccc1S(C)(=O)=O 75483532 572849740 /nfs/dbraw/zinc/84/97/40/572849740.db2.gz PLMASLHWKUYNDX-UHFFFAOYSA-N 0 0 187.264 1.371 10 0 ADAERN CC(C)C[C@H](C)NC(=O)[C@@H]1CCO1 308144646 572849752 /nfs/dbraw/zinc/84/97/52/572849752.db2.gz KXNKMQLLUASZLK-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN CCCN[C@@H](C=C(C)C)c1nc[nH]n1 86057633 572849756 /nfs/dbraw/zinc/84/97/56/572849756.db2.gz GARNKGBZVZTBKT-VIFPVBQESA-N 0 0 194.282 1.812 10 0 ADAERN Nc1oc(-c2nccs2)cc1C=O 75427264 572849784 /nfs/dbraw/zinc/84/97/84/572849784.db2.gz LRDNSSLNRUUCAL-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN COc1c(C)cc(C=O)c2c1CCO2 75428054 572849790 /nfs/dbraw/zinc/84/97/90/572849790.db2.gz WGKWVKUGWVSRDX-UHFFFAOYSA-N 0 0 192.214 1.751 10 0 ADAERN CC[C@@H](CN[C@H](C)C(F)F)OC 308145214 572849831 /nfs/dbraw/zinc/84/98/31/572849831.db2.gz JPHJBCAIIMKUSP-RQJHMYQMSA-N 0 0 181.226 1.655 10 0 ADAERN Nc1csc(C(=O)c2ncco2)c1 75491222 572849836 /nfs/dbraw/zinc/84/98/36/572849836.db2.gz GWUULDASNSVWLX-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN CSCOc1ccc(C)nc1C=O 393484763 572849840 /nfs/dbraw/zinc/84/98/40/572849840.db2.gz PUDOYUSFADXYJE-UHFFFAOYSA-N 0 0 197.259 1.902 10 0 ADAERN COC(=O)CSC[C@H](C)C(C)=O 308153614 572849899 /nfs/dbraw/zinc/84/98/99/572849899.db2.gz NQRDKIJWYRNJMM-LURJTMIESA-N 0 0 190.264 1.118 10 0 ADAERN COc1ccc(C(=O)C(C)(C)C)nn1 234878377 572849905 /nfs/dbraw/zinc/84/99/05/572849905.db2.gz CHXZCEISDJHHRF-UHFFFAOYSA-N 0 0 194.234 1.714 10 0 ADAERN COCC(=O)c1cc(C=O)cs1 75491290 572849930 /nfs/dbraw/zinc/84/99/30/572849930.db2.gz RCQWNDBCNROPNN-UHFFFAOYSA-N 0 0 184.216 1.390 10 0 ADAERN C/C=C\COC(=O)CC[C@@H](C)O 307959514 572849941 /nfs/dbraw/zinc/84/99/41/572849941.db2.gz VANVVIKDZNXVBL-TUUFMJSCSA-N 0 0 172.224 1.267 10 0 ADAERN C[C@H](O)C(=O)OCC=C1CCC1 307959981 572849948 /nfs/dbraw/zinc/84/99/48/572849948.db2.gz VMPPLLZAJDZNMW-ZETCQYMHSA-N 0 0 170.208 1.021 10 0 ADAERN C/C=C/COC(=O)CC[C@H](C)O 307959512 572849969 /nfs/dbraw/zinc/84/99/69/572849969.db2.gz VANVVIKDZNXVBL-RTMURIBGSA-N 0 0 172.224 1.267 10 0 ADAERN CC(C)/C=C\C(=O)N[C@@H]1CCOC1 308153455 572849973 /nfs/dbraw/zinc/84/99/73/572849973.db2.gz PTTAVIJNZIJXIK-ZBJFTSOASA-N 0 0 183.251 1.104 10 0 ADAERN C=Cc1nnc([C@@H](N)CCC)o1 307959513 572849981 /nfs/dbraw/zinc/84/99/81/572849981.db2.gz JFVCTYHIUONSHU-LURJTMIESA-N 0 0 167.212 1.513 10 0 ADAERN CSc1c(C=O)cn(C)c1C 75486359 572850006 /nfs/dbraw/zinc/85/00/06/572850006.db2.gz JFORPNZCEXPKBN-UHFFFAOYSA-N 0 0 169.249 1.868 10 0 ADAERN Nc1c2c(cc3ccoc13)OCO2 75428019 572850023 /nfs/dbraw/zinc/85/00/23/572850023.db2.gz VCVZHMTXSMFCHT-UHFFFAOYSA-N 0 0 177.159 1.744 10 0 ADAERN CCCCc1nc(C=O)cc(=O)[nH]1 308153731 572850026 /nfs/dbraw/zinc/85/00/26/572850026.db2.gz SCEKEJHWHRJSBH-UHFFFAOYSA-N 0 0 180.207 1.337 10 0 ADAERN CN(C)c1cc(N)cs1 75491039 572850038 /nfs/dbraw/zinc/85/00/38/572850038.db2.gz JPMWVQHHKGADHW-UHFFFAOYSA-N 0 0 142.227 1.396 10 0 ADAERN COCC(=O)c1[nH]ccc1SC 75483210 572850042 /nfs/dbraw/zinc/85/00/42/572850042.db2.gz QCPYTIKJNUSWED-UHFFFAOYSA-N 0 0 185.248 1.566 10 0 ADAERN CC(C)CC1(C(=O)NCCF)CC1 308144525 572850053 /nfs/dbraw/zinc/85/00/53/572850053.db2.gz KWDAIRQYBPCNMX-UHFFFAOYSA-N 0 0 187.258 1.898 10 0 ADAERN Cc1ncc(C(=O)c2cc(N)c[nH]2)o1 75492417 572851024 /nfs/dbraw/zinc/85/10/24/572851024.db2.gz NQFPXGWBOMTEKT-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN Nc1oc(-c2cc[nH]n2)cc1C=O 75427277 572850087 /nfs/dbraw/zinc/85/00/87/572850087.db2.gz FFPDFJSJLADLAX-UHFFFAOYSA-N 0 0 177.163 1.064 10 0 ADAERN CO[C@@H](C)CCN[C@H](C)C(F)F 308144812 572850105 /nfs/dbraw/zinc/85/01/05/572850105.db2.gz JGOCFZWSLYUMHV-NKWVEPMBSA-N 0 0 181.226 1.655 10 0 ADAERN CC(C)C[C@@H](C)COC(=O)[C@H](C)O 308153739 572850129 /nfs/dbraw/zinc/85/01/29/572850129.db2.gz PYTDREYRPBLJPV-BDAKNGLRSA-N 0 0 188.267 1.593 10 0 ADAERN CCOC[C@H](C)N(C)CC(F)F 308144819 572850143 /nfs/dbraw/zinc/85/01/43/572850143.db2.gz JGSLETFPPDQHAN-ZETCQYMHSA-N 0 0 181.226 1.608 10 0 ADAERN CC[C@@H](C)C(O)=CC(=O)C1CC1 307960080 572850154 /nfs/dbraw/zinc/85/01/54/572850154.db2.gz JZBFCUFHIDDHTC-SSDOTTSWSA-N 0 0 168.236 1.971 10 0 ADAERN O=Cc1ccc(N2CCCC2)[nH]1 75492152 572850203 /nfs/dbraw/zinc/85/02/03/572850203.db2.gz CXQPMNCVPOSHHS-UHFFFAOYSA-N 0 0 164.208 1.427 10 0 ADAERN CC(C)/C=C/C(=O)NC[C@@H]1C[C@@H]1C 308144902 572850210 /nfs/dbraw/zinc/85/02/10/572850210.db2.gz LBRRQCXXJUOFCC-AWAZDUCLSA-N 0 0 181.279 1.971 10 0 ADAERN CC(C)CNc1ccc(C=O)[nH]1 75492179 572850211 /nfs/dbraw/zinc/85/02/11/572850211.db2.gz DXRMTAYQUHMYDZ-UHFFFAOYSA-N 0 0 166.224 1.895 10 0 ADAERN Nc1oc(-c2cccnc2)cc1C=O 75427258 572850215 /nfs/dbraw/zinc/85/02/15/572850215.db2.gz XTDNPCJKLCBSKG-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN C[NH+](C)CCNc1cc(C=O)cs1 75491132 572850243 /nfs/dbraw/zinc/85/02/43/572850243.db2.gz IFHJVVJKXNKVOT-UHFFFAOYSA-N 0 0 198.291 1.534 10 0 ADAERN Cn1nccc1-c1cc(C=O)c(N)o1 75427278 572850260 /nfs/dbraw/zinc/85/02/60/572850260.db2.gz KLLLAZXCTMXQOH-UHFFFAOYSA-N 0 0 191.190 1.075 10 0 ADAERN CC[C@H](C)C(O)=CC(=O)C1CC1 307960082 572850266 /nfs/dbraw/zinc/85/02/66/572850266.db2.gz JZBFCUFHIDDHTC-ZETCQYMHSA-N 0 0 168.236 1.971 10 0 ADAERN CCCc1nnc(CN2CCC2)s1 308153140 572850306 /nfs/dbraw/zinc/85/03/06/572850306.db2.gz AEUPHSZMQZUZFE-UHFFFAOYSA-N 0 0 197.307 1.696 10 0 ADAERN C[C@@H]1[NH2+]CCO[C@@H]1c1ccc[nH]1 77261985 572850308 /nfs/dbraw/zinc/85/03/08/572850308.db2.gz JBZQCJOPXZIDGA-CBAPKCEASA-N 0 0 166.224 1.064 10 0 ADAERN CC[C@@H](C)OCOc1cnn(C)c1 308153491 572850315 /nfs/dbraw/zinc/85/03/15/572850315.db2.gz SBFNXOOEMGXYOJ-MRVPVSSYSA-N 0 0 184.239 1.572 10 0 ADAERN C[C@@H](O)C(=O)OCC=C1CCC1 307959979 572850322 /nfs/dbraw/zinc/85/03/22/572850322.db2.gz VMPPLLZAJDZNMW-SSDOTTSWSA-N 0 0 170.208 1.021 10 0 ADAERN Nc1oc(-c2ncc[nH]2)cc1C=O 75427263 572850351 /nfs/dbraw/zinc/85/03/51/572850351.db2.gz SSBGTLCDSMYRCR-UHFFFAOYSA-N 0 0 177.163 1.064 10 0 ADAERN Cc1cc(-c2cc(C=O)c(N)o2)no1 75427273 572850362 /nfs/dbraw/zinc/85/03/62/572850362.db2.gz BLIMMIGFGLOWFB-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN Cc1coc(-c2cc(C=O)c(N)o2)n1 75427268 572850376 /nfs/dbraw/zinc/85/03/76/572850376.db2.gz GMALQQUXHADMGG-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN CCSCc1nc(C=O)cc(=O)[nH]1 308144584 572850393 /nfs/dbraw/zinc/85/03/93/572850393.db2.gz NFIKMCOGQZSEPV-UHFFFAOYSA-N 0 0 198.247 1.248 10 0 ADAERN CCCS(=O)(=O)CCCCOC 307960198 572850404 /nfs/dbraw/zinc/85/04/04/572850404.db2.gz VSENHGGOQJPRFS-UHFFFAOYSA-N 0 0 194.296 1.238 10 0 ADAERN C[NH+]1CCN(c2cc(N)cs2)CC1 75491026 572850420 /nfs/dbraw/zinc/85/04/20/572850420.db2.gz OQLRANLRRZQYQN-UHFFFAOYSA-N 0 0 197.307 1.082 10 0 ADAERN Cc1cc(CCCCO)c(C)[nH]1 77262401 572850427 /nfs/dbraw/zinc/85/04/27/572850427.db2.gz ZJCXAEQYHMGOLX-UHFFFAOYSA-N 0 0 167.252 1.947 10 0 ADAERN CCOC[C@@H](C)N(C)CC(F)F 308144818 572850442 /nfs/dbraw/zinc/85/04/42/572850442.db2.gz JGSLETFPPDQHAN-SSDOTTSWSA-N 0 0 181.226 1.608 10 0 ADAERN CC(C)C(=O)c1ccn(C)c1N 75511601 572851446 /nfs/dbraw/zinc/85/14/46/572851446.db2.gz AXTPGRPSWWKEAT-UHFFFAOYSA-N 0 0 166.224 1.446 10 0 ADAERN Nc1oc(-c2ccccn2)cc1C=O 75427259 572850465 /nfs/dbraw/zinc/85/04/65/572850465.db2.gz GFESDXOUEGRJLX-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN C/C=C\COC(=O)CC[C@H](C)O 307959516 572850477 /nfs/dbraw/zinc/85/04/77/572850477.db2.gz VANVVIKDZNXVBL-VEMNSZJBSA-N 0 0 172.224 1.267 10 0 ADAERN CSc1ccn(C)c1C=O 75485664 572850484 /nfs/dbraw/zinc/85/04/84/572850484.db2.gz ODHJJVZTJAZLGB-UHFFFAOYSA-N 0 0 155.222 1.560 10 0 ADAERN COCCNc1cccs1 75490964 572850489 /nfs/dbraw/zinc/85/04/89/572850489.db2.gz AQFWZFBFDSXGKT-UHFFFAOYSA-N 0 0 157.238 1.806 10 0 ADAERN CCc1c(N)cc(SC)n1C 75490282 572850493 /nfs/dbraw/zinc/85/04/93/572850493.db2.gz PFAPZXWYHBBJJK-UHFFFAOYSA-N 0 0 170.281 1.892 10 0 ADAERN CCc1occc1S(C)(=O)=O 75482181 572850496 /nfs/dbraw/zinc/85/04/96/572850496.db2.gz ZIVGXFVMGGVCDW-UHFFFAOYSA-N 0 0 174.221 1.246 10 0 ADAERN C/C=C/COC(=O)CC[C@@H](C)O 307959510 572850522 /nfs/dbraw/zinc/85/05/22/572850522.db2.gz VANVVIKDZNXVBL-MPJRPATESA-N 0 0 172.224 1.267 10 0 ADAERN CCNc1ccc(C=O)[nH]1 75492174 572850530 /nfs/dbraw/zinc/85/05/30/572850530.db2.gz CAJKHYNQBPRICB-UHFFFAOYSA-N 0 0 138.170 1.259 10 0 ADAERN O=Cc1c[nH]c(NC[C@H]2CCCO2)c1 75492321 572850928 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572851383 /nfs/dbraw/zinc/85/13/83/572851383.db2.gz RUWYVKMFEZIWNE-UHFFFAOYSA-N 0 0 191.190 1.278 10 0 ADAERN COCC[C@H](C)C(=O)NC(C)C 308144805 572851400 /nfs/dbraw/zinc/85/14/00/572851400.db2.gz JFUPRUUMYQLSRT-QMMMGPOBSA-N 0 0 173.256 1.184 10 0 ADAERN C[C@@H]1SCC[C@@]12C[C@@H]2CO 235362740 572851402 /nfs/dbraw/zinc/85/14/02/572851402.db2.gz ODCHYJOQXWBJDQ-XLPZGREQSA-N 0 0 158.266 1.510 10 0 ADAERN COC(=O)CSC[C@@H](C)C(C)=O 308153615 572851422 /nfs/dbraw/zinc/85/14/22/572851422.db2.gz NQRDKIJWYRNJMM-ZCFIWIBFSA-N 0 0 190.264 1.118 10 0 ADAERN CCCOCC[C@H](O)C1=COCC1 308145121 572851430 /nfs/dbraw/zinc/85/14/30/572851430.db2.gz XMMSYDQAPMPALG-JTQLQIEISA-N 0 0 186.251 1.468 10 0 ADAERN Cn1ccc(C(=O)C2CCCC2)c1N 75511615 572851440 /nfs/dbraw/zinc/85/14/40/572851440.db2.gz LLEKUJWHGBNISR-UHFFFAOYSA-N 0 0 192.262 1.980 10 0 ADAERN CC(=O)c1cncn1-c1cc(C)on1 75517924 572851455 /nfs/dbraw/zinc/85/14/55/572851455.db2.gz BFJXJEDAZVPDFM-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN 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194.234 1.604 10 0 ADAERN CC(C)(C)[C@H](O)CSC1COC1 307961322 572851612 /nfs/dbraw/zinc/85/16/12/572851612.db2.gz LQHGOHRGLNARIS-MRVPVSSYSA-N 0 0 190.308 1.525 10 0 ADAERN CC(C)(C)[C@@H](O)CSC1COC1 307961324 572851614 /nfs/dbraw/zinc/85/16/14/572851614.db2.gz LQHGOHRGLNARIS-QMMMGPOBSA-N 0 0 190.308 1.525 10 0 ADAERN Cc1nocc1C(=O)c1cc[nH]c1N 75509209 572851615 /nfs/dbraw/zinc/85/16/15/572851615.db2.gz YHYQUUISPUNYEB-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN CC(C)Nc1cc(C=O)cn1C 75511304 572851623 /nfs/dbraw/zinc/85/16/23/572851623.db2.gz CNHVFOMSBPMOGS-UHFFFAOYSA-N 0 0 166.224 1.658 10 0 ADAERN Cn1cc(N)cc1NC[C@@H]1CCCO1 75511266 572851657 /nfs/dbraw/zinc/85/16/57/572851657.db2.gz FUNLULKIDVMIQW-VIFPVBQESA-N 0 0 195.266 1.198 10 0 ADAERN Cc1[nH]c2[nH]c(N)cc2c(=O)c1C 75511069 572851677 /nfs/dbraw/zinc/85/16/77/572851677.db2.gz YTPAIJLXQHZXAL-UHFFFAOYSA-N 0 0 177.207 1.055 10 0 ADAERN CC[C@H](C)[C@](C)(CC(=O)[O-])[NH2+]C 307961363 572851700 /nfs/dbraw/zinc/85/17/00/572851700.db2.gz 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/nfs/dbraw/zinc/85/19/32/572851932.db2.gz PEBYOYZFNBGHJK-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN C/C=C/COC(=O)c1cc[nH]n1 307960731 572851943 /nfs/dbraw/zinc/85/19/43/572851943.db2.gz WJQADOHVVJQPLE-NSCUHMNNSA-N 0 0 166.180 1.143 10 0 ADAERN CCN(CC)c1ncccc1OC 308145542 572851961 /nfs/dbraw/zinc/85/19/61/572851961.db2.gz NSYLREJINAHCFW-UHFFFAOYSA-N 0 0 180.251 1.936 10 0 ADAERN CC(=O)c1cncn1-c1ncco1 75517632 572851964 /nfs/dbraw/zinc/85/19/64/572851964.db2.gz MYRODYRCDLXGRD-UHFFFAOYSA-N 0 0 177.163 1.063 10 0 ADAERN Cc1conc1C(=O)c1cc(N)c[nH]1 75492337 572851971 /nfs/dbraw/zinc/85/19/71/572851971.db2.gz HRYUNMQCJMDZNG-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN CCNc1ccc(C=O)n1C 75511160 572851976 /nfs/dbraw/zinc/85/19/76/572851976.db2.gz KUAXIANDDRMPHZ-UHFFFAOYSA-N 0 0 152.197 1.269 10 0 ADAERN Cc1coc(C(=O)c2cc[nH]c2N)n1 75509257 572852046 /nfs/dbraw/zinc/85/20/46/572852046.db2.gz VRHUXCCDTKTTCQ-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN CCN(CC)c1ccc(C=O)n1C 75511151 572852059 /nfs/dbraw/zinc/85/20/59/572852059.db2.gz XOHPKAUZMHIBBE-UHFFFAOYSA-N 0 0 180.251 1.684 10 0 ADAERN CCNC(=S)N[C@H](C)CC(F)F 307960720 572852060 /nfs/dbraw/zinc/85/20/60/572852060.db2.gz WISKUYIHBSBZBA-RXMQYKEDSA-N 0 0 196.266 1.514 10 0 ADAERN CCC[C@@H](C[NH3+])[C@H](CC)C(=O)[O-] 118647757 572852066 /nfs/dbraw/zinc/85/20/66/572852066.db2.gz GQKAMBLFSLFNOO-YUMQZZPRSA-N 0 0 173.256 1.472 10 0 ADAERN CC(=O)c1cnc(-c2cc[nH]n2)n1C 75518321 572852095 /nfs/dbraw/zinc/85/20/95/572852095.db2.gz OVGRGFPMEAUNIM-UHFFFAOYSA-N 0 0 190.206 1.013 10 0 ADAERN CC(=O)c1cnc(C)n1-c1cc[nH]n1 75517948 572852098 /nfs/dbraw/zinc/85/20/98/572852098.db2.gz PZEFQFMKTRPFJU-UHFFFAOYSA-N 0 0 190.206 1.106 10 0 ADAERN CC(=O)c1cnc(C)n1-c1ncco1 75517569 572852103 /nfs/dbraw/zinc/85/21/03/572852103.db2.gz UHZLNHHYZIHELJ-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN CCOCSc1nnc(C)n1C 308146186 572852130 /nfs/dbraw/zinc/85/21/30/572852130.db2.gz KIVBJKNQNPYMJA-UHFFFAOYSA-N 0 0 187.268 1.210 10 0 ADAERN CC(=O)c1cnc(-c2cc[nH]c2)n1C 75518228 572852140 /nfs/dbraw/zinc/85/21/40/572852140.db2.gz XVVJQGBOXNLDRA-UHFFFAOYSA-N 0 0 189.218 1.618 10 0 ADAERN CC(C)(C)c1nc2c(o1)[C@H](O)CNC2 75513162 572852145 /nfs/dbraw/zinc/85/21/45/572852145.db2.gz OEYLVUNNAWCZNT-SSDOTTSWSA-N 0 0 196.250 1.109 10 0 ADAERN CC(C)[C@H](CO)CO[C@H]1CCOC1 308146500 572852146 /nfs/dbraw/zinc/85/21/46/572852146.db2.gz OJDLLSJVRRBYTO-ZJUUUORDSA-N 0 0 188.267 1.056 10 0 ADAERN CC[C@@H](C)[C@@](C)(CC(=O)[O-])[NH2+]C 307961367 572852164 /nfs/dbraw/zinc/85/21/64/572852164.db2.gz LTFUOXWCZPYRBQ-VXNVDRBHSA-N 0 0 173.256 1.485 10 0 ADAERN Nc1c[nH]c(NCc2ccco2)c1 75492260 572852195 /nfs/dbraw/zinc/85/21/95/572852195.db2.gz NOTONOBRJCJOSQ-UHFFFAOYSA-N 0 0 177.207 1.802 10 0 ADAERN CO[C@H](C)COC(=O)CCSC 308146191 572852196 /nfs/dbraw/zinc/85/21/96/572852196.db2.gz KIVXGWSCFJWDIB-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CC(=O)CSCCc1nccn1C 308146255 572852200 /nfs/dbraw/zinc/85/22/00/572852200.db2.gz LSVOESPBIINJCR-UHFFFAOYSA-N 0 0 198.291 1.285 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)/C=C/SC 307961377 572852213 /nfs/dbraw/zinc/85/22/13/572852213.db2.gz XGFBOYFFZPLZNX-VWFQECGMSA-N 0 0 185.292 1.778 10 0 ADAERN CCC[C@@H](C[NH3+])[C@@H](CC)C(=O)[O-] 118647753 572852223 /nfs/dbraw/zinc/85/22/23/572852223.db2.gz GQKAMBLFSLFNOO-JGVFFNPUSA-N 0 0 173.256 1.472 10 0 ADAERN Cn1cc(N)cc1N1CCCCCC1 75511202 572852262 /nfs/dbraw/zinc/85/22/62/572852262.db2.gz SARBHYBRALJBBI-UHFFFAOYSA-N 0 0 193.294 1.988 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)/C=C\SC 307961379 572852272 /nfs/dbraw/zinc/85/22/72/572852272.db2.gz XGFBOYFFZPLZNX-YKCGFPGDSA-N 0 0 185.292 1.778 10 0 ADAERN Cc1cc(C(=O)c2cc[nH]c2N)no1 75509176 572852276 /nfs/dbraw/zinc/85/22/76/572852276.db2.gz QVDPUXQHLTVDDA-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN Cn1c(C=O)ccc1N1CCCC1 75511147 572852400 /nfs/dbraw/zinc/85/24/00/572852400.db2.gz IUAOPNIYVHFCBI-UHFFFAOYSA-N 0 0 178.235 1.438 10 0 ADAERN C/C(=C/c1cn(C)cn1)[C@@H](C)O 307961126 572852413 /nfs/dbraw/zinc/85/24/13/572852413.db2.gz LDAYCYFEFUUCTL-RBMBQVQZSA-N 0 0 166.224 1.204 10 0 ADAERN Cn1ccc(C(=O)c2ccco2)c1N 75511704 572852601 /nfs/dbraw/zinc/85/26/01/572852601.db2.gz CNELXKPINBRLDH-UHFFFAOYSA-N 0 0 190.202 1.431 10 0 ADAERN CCc1cc(C(C)=O)c(N)[nH]1 75509892 572852445 /nfs/dbraw/zinc/85/24/45/572852445.db2.gz YJOIWJOKSVSNHG-UHFFFAOYSA-N 0 0 152.197 1.362 10 0 ADAERN CC(=O)c1cc(CC2CC2)[nH]c1N 75509904 572852473 /nfs/dbraw/zinc/85/24/73/572852473.db2.gz AXJJWUXDRVCWFV-UHFFFAOYSA-N 0 0 178.235 1.752 10 0 ADAERN CCC(=O)c1ccn(C)c1N 75511597 572852456 /nfs/dbraw/zinc/85/24/56/572852456.db2.gz FBVQCXCEKWMDBR-UHFFFAOYSA-N 0 0 152.197 1.200 10 0 ADAERN CCONCC1CCC(O)CC1 307961149 572852463 /nfs/dbraw/zinc/85/24/63/572852463.db2.gz LEIREPHRAGJVBS-UHFFFAOYSA-N 0 0 173.256 1.079 10 0 ADAERN CC(C)Nc1ccc(C=O)n1C 75511163 572852477 /nfs/dbraw/zinc/85/24/77/572852477.db2.gz NHHXSTFGUYOFOR-UHFFFAOYSA-N 0 0 166.224 1.658 10 0 ADAERN CC(C)c1c[nH]c2[nH]c(N)cc2c1=O 75511074 572852484 /nfs/dbraw/zinc/85/24/84/572852484.db2.gz CTAGJCFOUGUAFT-UHFFFAOYSA-N 0 0 191.234 1.562 10 0 ADAERN CC(C)Nc1cc(C=O)c[nH]1 75492300 572852511 /nfs/dbraw/zinc/85/25/11/572852511.db2.gz KVOXSRAELSPQST-UHFFFAOYSA-N 0 0 152.197 1.648 10 0 ADAERN CC(C)[C@@H](CO)CO[C@H]1CCOC1 308146498 572852514 /nfs/dbraw/zinc/85/25/14/572852514.db2.gz OJDLLSJVRRBYTO-UWVGGRQHSA-N 0 0 188.267 1.056 10 0 ADAERN Cc1coc(CN2CCOCC2)c1N 257584109 572852540 /nfs/dbraw/zinc/85/25/40/572852540.db2.gz AEKZMXZTTVEDNN-UHFFFAOYSA-N 0 0 196.250 1.002 10 0 ADAERN COCCCCOc1cn[nH]c1 307961179 572852558 /nfs/dbraw/zinc/85/25/58/572852558.db2.gz LHCZWLYTCLUVPJ-UHFFFAOYSA-N 0 0 170.212 1.215 10 0 ADAERN CC(=O)c1cnc(-c2cn[nH]c2)n1C 75518268 572852565 /nfs/dbraw/zinc/85/25/65/572852565.db2.gz ZPMUBYQWVKAALC-UHFFFAOYSA-N 0 0 190.206 1.013 10 0 ADAERN CCCNc1cc(C=O)c[nH]1 75492303 572852577 /nfs/dbraw/zinc/85/25/77/572852577.db2.gz QSVSUEZWODDRQO-UHFFFAOYSA-N 0 0 152.197 1.649 10 0 ADAERN CC(=O)CCC(=O)c1ccc[nH]1 77261596 572852595 /nfs/dbraw/zinc/85/25/95/572852595.db2.gz PLIHJEIMOZAFJO-UHFFFAOYSA-N 0 0 165.192 1.567 10 0 ADAERN COCCONCC1(C)CCC1 307961194 572852616 /nfs/dbraw/zinc/85/26/16/572852616.db2.gz LIUZRJAMRXGQJI-UHFFFAOYSA-N 0 0 173.256 1.344 10 0 ADAERN Cc1cc(C(=O)c2cc(N)c[nH]2)no1 75492333 572853155 /nfs/dbraw/zinc/85/31/55/572853155.db2.gz URUVFQAZQQMFBZ-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN C[C@H]1Cc2c(ccc(O)c2F)N1 713769622 572852650 /nfs/dbraw/zinc/85/26/50/572852650.db2.gz CJUBGSOFHBJPMZ-YFKPBYRVSA-N 0 0 167.183 1.888 10 0 ADAERN CC(C)(C)c1nc2c(o1)C(=O)CNC2 75512865 572852685 /nfs/dbraw/zinc/85/26/85/572852685.db2.gz VLZCBROVRFNJEP-UHFFFAOYSA-N 0 0 194.234 1.258 10 0 ADAERN Cn1ccc(C(=O)C2CC2)c1N 75511612 572852690 /nfs/dbraw/zinc/85/26/90/572852690.db2.gz VZHVBJYDKARKDJ-UHFFFAOYSA-N 0 0 164.208 1.200 10 0 ADAERN CCc1cc(C(=O)C2CC2)c(N)n1C 75512392 572852699 /nfs/dbraw/zinc/85/26/99/572852699.db2.gz JWFARNWPDUQOFE-UHFFFAOYSA-N 0 0 192.262 1.762 10 0 ADAERN C/C=C\COC(=O)c1cc[nH]n1 307960730 572852702 /nfs/dbraw/zinc/85/27/02/572852702.db2.gz WJQADOHVVJQPLE-IHWYPQMZSA-N 0 0 166.180 1.143 10 0 ADAERN C[C@H]1CC[C@H]1[N@H+](CC(=O)[O-])C1CC1 308146095 572852704 /nfs/dbraw/zinc/85/27/04/572852704.db2.gz OBMFCJUIINWMJA-IONNQARKSA-N 0 0 183.251 1.334 10 0 ADAERN Cn1cc(C=O)cc1N1CCCCC1 75511274 572852713 /nfs/dbraw/zinc/85/27/13/572852713.db2.gz JMVUMPITXSRLOA-UHFFFAOYSA-N 0 0 192.262 1.828 10 0 ADAERN CCCNc1cc(N)cn1C 75511230 572853163 /nfs/dbraw/zinc/85/31/63/572853163.db2.gz OKGZOKRQSSWAIW-UHFFFAOYSA-N 0 0 153.229 1.429 10 0 ADAERN CC[C@@H](F)Cn1cc(CCO)cn1 308145449 572852735 /nfs/dbraw/zinc/85/27/35/572852735.db2.gz AEDXVYIUKMNAMN-SECBINFHSA-N 0 0 186.230 1.166 10 0 ADAERN CCCNC(=S)NOCC(F)F 307960432 572852754 /nfs/dbraw/zinc/85/27/54/572852754.db2.gz WARVWLZKHRUNOI-UHFFFAOYSA-N 0 0 198.238 1.057 10 0 ADAERN CC(C)CNc1cc(C=O)c[nH]1 75492302 572852778 /nfs/dbraw/zinc/85/27/78/572852778.db2.gz FSOXZXHSSGQQLW-UHFFFAOYSA-N 0 0 166.224 1.895 10 0 ADAERN Nc1[nH]ccc1C(=O)c1cc[nH]c1 75509135 572852822 /nfs/dbraw/zinc/85/28/22/572852822.db2.gz QTCQYOGFZBKJBJ-UHFFFAOYSA-N 0 0 175.191 1.156 10 0 ADAERN CC[C@@H](C)[C@](C)(CC(=O)[O-])[NH2+]C 307961361 572852832 /nfs/dbraw/zinc/85/28/32/572852832.db2.gz LTFUOXWCZPYRBQ-APPZFPTMSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@H](F)Cn1cc(CCO)cn1 308145450 572852840 /nfs/dbraw/zinc/85/28/40/572852840.db2.gz AEDXVYIUKMNAMN-VIFPVBQESA-N 0 0 186.230 1.166 10 0 ADAERN Cn1ccc(C(=O)C(F)(F)F)c1N 75511596 572852875 /nfs/dbraw/zinc/85/28/75/572852875.db2.gz KYEIFMLLIAKGMF-UHFFFAOYSA-N 0 0 192.140 1.352 10 0 ADAERN CCn1c(C(C)=O)cnc1COC 75515469 572852900 /nfs/dbraw/zinc/85/29/00/572852900.db2.gz FTRMVRQNZMXBIE-UHFFFAOYSA-N 0 0 182.223 1.252 10 0 ADAERN CC(C)(C)/C=C/C(=O)OCCO 307960889 572852939 /nfs/dbraw/zinc/85/29/39/572852939.db2.gz KXOFIGCKDGINLY-SNAWJCMRSA-N 0 0 172.224 1.124 10 0 ADAERN Cn1cc(N)cc1NCc1ccco1 75511256 572852957 /nfs/dbraw/zinc/85/29/57/572852957.db2.gz DHWAVOJUKLABJJ-UHFFFAOYSA-N 0 0 191.234 1.812 10 0 ADAERN CCN(CC)c1cc(C=O)cn1C 75511287 572852965 /nfs/dbraw/zinc/85/29/65/572852965.db2.gz KROACVKNKMPWKR-UHFFFAOYSA-N 0 0 180.251 1.684 10 0 ADAERN CC(C)CC(=O)c1cc[nH]c1N 75492592 572852990 /nfs/dbraw/zinc/85/29/90/572852990.db2.gz QFLYFZWKXKTVJF-UHFFFAOYSA-N 0 0 166.224 1.826 10 0 ADAERN CC1(C[C@H](NN)C(F)F)CCC1 307961087 572853013 /nfs/dbraw/zinc/85/30/13/572853013.db2.gz LAXWOOYCQIGMIY-LURJTMIESA-N 0 0 178.226 1.664 10 0 ADAERN Nc1c[nH]c(NC[C@@H]2CCCO2)c1 75492272 572853022 /nfs/dbraw/zinc/85/30/22/572853022.db2.gz XBFYSFOUPOWZFR-QMMMGPOBSA-N 0 0 181.239 1.188 10 0 ADAERN CC(C)CNc1cc(C=O)cn1C 75511308 572853063 /nfs/dbraw/zinc/85/30/63/572853063.db2.gz IUSJPCYGFCWZFE-UHFFFAOYSA-N 0 0 180.251 1.906 10 0 ADAERN CC(C)[C@@H](CO)CO[C@@H]1CCOC1 308146499 572853079 /nfs/dbraw/zinc/85/30/79/572853079.db2.gz OJDLLSJVRRBYTO-VHSXEESVSA-N 0 0 188.267 1.056 10 0 ADAERN CCN(CC)c1cc(C=O)c[nH]1 75492291 572853085 /nfs/dbraw/zinc/85/30/85/572853085.db2.gz GRDZKQHZAYVJET-UHFFFAOYSA-N 0 0 166.224 1.673 10 0 ADAERN Nc1[nH]ccc1C(=O)c1cccnc1 75492688 572853108 /nfs/dbraw/zinc/85/31/08/572853108.db2.gz HETYWCMBNSSEAK-UHFFFAOYSA-N 0 0 187.202 1.223 10 0 ADAERN Cc1[nH]c2c(cc(N)n2C)c(=O)c1C 75512837 572853114 /nfs/dbraw/zinc/85/31/14/572853114.db2.gz NLRQKHUZDQKGEY-UHFFFAOYSA-N 0 0 191.234 1.066 10 0 ADAERN CCC/C=C\CCONC(C)=O 307961258 572853121 /nfs/dbraw/zinc/85/31/21/572853121.db2.gz XCIRTKIYJCFJKA-WAYWQWQTSA-N 0 0 171.240 1.801 10 0 ADAERN CO[C@@H]1CCC[C@H]1C[C@H](O)C1CC1 308145699 572853123 /nfs/dbraw/zinc/85/31/23/572853123.db2.gz YFAYCJLSIOMNPG-GARJFASQSA-N 0 0 184.279 1.963 10 0 ADAERN C(=C\c1ccco1)\CN1CCC1 307960513 572853130 /nfs/dbraw/zinc/85/31/30/572853130.db2.gz KLEOCHBUQNEEIR-RJRFIUFISA-N 0 0 163.220 1.999 10 0 ADAERN Cn1ccc(C(=O)c2cc[nH]c2)c1N 75511737 572853133 /nfs/dbraw/zinc/85/31/33/572853133.db2.gz DVGILILBJRNBSY-UHFFFAOYSA-N 0 0 189.218 1.166 10 0 ADAERN CC(=O)c1cncn1Cc1ccco1 75515371 572853137 /nfs/dbraw/zinc/85/31/37/572853137.db2.gz DNEGZNZVZRGHQL-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN Cc1cnc(C(=O)c2cc[nH]c2N)o1 75509261 572853142 /nfs/dbraw/zinc/85/31/42/572853142.db2.gz ZBELBQLGFDJPLX-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN C[C@@H]1Cc2c(ccc(O)c2F)N1 713769621 572853146 /nfs/dbraw/zinc/85/31/46/572853146.db2.gz CJUBGSOFHBJPMZ-RXMQYKEDSA-N 0 0 167.183 1.888 10 0 ADAERN CC/C=C\C(=O)NC[C@H](C)OC 307961286 572853174 /nfs/dbraw/zinc/85/31/74/572853174.db2.gz XCXOYAQWWVKSQG-SLGIHZDVSA-N 0 0 171.240 1.104 10 0 ADAERN CC(C)Cc1nc2c(o1)[C@H](O)CNC2 75513202 572853181 /nfs/dbraw/zinc/85/31/81/572853181.db2.gz CTTAWDWIIQWGML-MRVPVSSYSA-N 0 0 196.250 1.010 10 0 ADAERN CC(C)(C)c1nc2c(o1)[C@@H](O)CNC2 75513164 572853219 /nfs/dbraw/zinc/85/32/19/572853219.db2.gz OEYLVUNNAWCZNT-ZETCQYMHSA-N 0 0 196.250 1.109 10 0 ADAERN CCc1cc(C(=O)C(C)C)c(N)[nH]1 75510073 572853275 /nfs/dbraw/zinc/85/32/75/572853275.db2.gz ARRYTFCWGXMQOK-UHFFFAOYSA-N 0 0 180.251 1.998 10 0 ADAERN Nc1c[nH]c(C(=O)c2cncs2)c1 75492411 572853280 /nfs/dbraw/zinc/85/32/80/572853280.db2.gz WHDHBEQBDJUYDR-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN Cc1conc1C(=O)c1cc[nH]c1N 75509183 572853299 /nfs/dbraw/zinc/85/32/99/572853299.db2.gz QBNGYTGWZOCWEN-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN CC/C=C/C(=O)NC[C@@H](C)OC 307961283 572853312 /nfs/dbraw/zinc/85/33/12/572853312.db2.gz XCXOYAQWWVKSQG-HQZHTGGTSA-N 0 0 171.240 1.104 10 0 ADAERN CC1(C[C@@H](NN)C(F)F)CCC1 307961089 572853342 /nfs/dbraw/zinc/85/33/42/572853342.db2.gz LAXWOOYCQIGMIY-ZCFIWIBFSA-N 0 0 178.226 1.664 10 0 ADAERN CO[C@@H]1CCC[C@H]1C[C@@H](O)C1CC1 308145702 572853372 /nfs/dbraw/zinc/85/33/72/572853372.db2.gz YFAYCJLSIOMNPG-HBNTYKKESA-N 0 0 184.279 1.963 10 0 ADAERN CC(=O)CCOC(=O)c1cccs1 308145915 572853379 /nfs/dbraw/zinc/85/33/79/572853379.db2.gz LOWSNMAHCRVTHK-UHFFFAOYSA-N 0 0 198.243 1.884 10 0 ADAERN CC/C=C\C(=O)NC[C@@H](C)OC 307961284 572853384 /nfs/dbraw/zinc/85/33/84/572853384.db2.gz XCXOYAQWWVKSQG-RPSMYOMKSA-N 0 0 171.240 1.104 10 0 ADAERN Nc1[nH]ccc1C(=O)c1cncs1 75509313 572853399 /nfs/dbraw/zinc/85/33/99/572853399.db2.gz YGMNHMAPGNOJJP-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN CC(C)CC(=O)OC[C@H](C)CO 307961185 572853421 /nfs/dbraw/zinc/85/34/21/572853421.db2.gz LHZGDAHASWOAPL-MRVPVSSYSA-N 0 0 174.240 1.204 10 0 ADAERN CC(C)[C@H](CO)CO[C@@H]1CCOC1 308146497 572853461 /nfs/dbraw/zinc/85/34/61/572853461.db2.gz OJDLLSJVRRBYTO-NXEZZACHSA-N 0 0 188.267 1.056 10 0 ADAERN Cn1cc(N)cc1N1CCCCC1 75511195 572853468 /nfs/dbraw/zinc/85/34/68/572853468.db2.gz UAVKPJADNPEZSK-UHFFFAOYSA-N 0 0 179.267 1.598 10 0 ADAERN CCN(CC)c1cc(N)cn1C 75511207 572853472 /nfs/dbraw/zinc/85/34/72/572853472.db2.gz DLTYPFCSUNUHNF-UHFFFAOYSA-N 0 0 167.256 1.454 10 0 ADAERN CC(C)(C)C(=O)c1cc[nH]c1N 75492577 572853476 /nfs/dbraw/zinc/85/34/76/572853476.db2.gz SPTIPGBYAAJLIH-UHFFFAOYSA-N 0 0 166.224 1.826 10 0 ADAERN CCNC(=S)N[C@@H](C)CC(F)F 307960721 572853811 /nfs/dbraw/zinc/85/38/11/572853811.db2.gz WISKUYIHBSBZBA-YFKPBYRVSA-N 0 0 196.266 1.514 10 0 ADAERN Nc1[nH]ccc1C(=O)c1cccs1 75492686 572853485 /nfs/dbraw/zinc/85/34/85/572853485.db2.gz KSMPTHKKHPXNNU-UHFFFAOYSA-N 0 0 192.243 1.889 10 0 ADAERN CCCC[C@@H](NN)c1ccc[nH]1 307961244 572853492 /nfs/dbraw/zinc/85/34/92/572853492.db2.gz LNFIZXQUVOGBDL-SECBINFHSA-N 0 0 167.256 1.709 10 0 ADAERN Nc1csc2sncc12 75519920 572853497 /nfs/dbraw/zinc/85/34/97/572853497.db2.gz WTWPRNGOKRISJG-UHFFFAOYSA-N 0 0 156.235 1.940 10 0 ADAERN C[C@@H](NC1(CO)CC1)C(F)(F)F 307961323 572853515 /nfs/dbraw/zinc/85/35/15/572853515.db2.gz XELBYBGXUUXRNB-RXMQYKEDSA-N 0 0 183.173 1.052 10 0 ADAERN CC(=O)c1cnc(-c2ncco2)n1C 75518300 572853527 /nfs/dbraw/zinc/85/35/27/572853527.db2.gz AARBZECRPHVMCJ-UHFFFAOYSA-N 0 0 191.190 1.278 10 0 ADAERN CCCN(C)C(=O)CCSCC 307961020 572853528 /nfs/dbraw/zinc/85/35/28/572853528.db2.gz WYVKPVSTRIEDFI-UHFFFAOYSA-N 0 0 189.324 1.998 10 0 ADAERN CC(C)C[C@H](C)COC(=O)[C@H](C)O 308153744 572853561 /nfs/dbraw/zinc/85/35/61/572853561.db2.gz PYTDREYRPBLJPV-IUCAKERBSA-N 0 0 188.267 1.593 10 0 ADAERN Cc1ncc(C(=O)c2cc[nH]c2N)o1 75509316 572853568 /nfs/dbraw/zinc/85/35/68/572853568.db2.gz IQYKZHNEFHSGMO-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN Nc1[nH]ccc1C(=O)C(F)(F)F 75492581 572853572 /nfs/dbraw/zinc/85/35/72/572853572.db2.gz HUKXYQIBWRWCBQ-UHFFFAOYSA-N 0 0 178.113 1.342 10 0 ADAERN CC(=O)c1cncn1-c1ncc(C)o1 75517774 572853630 /nfs/dbraw/zinc/85/36/30/572853630.db2.gz YOYZOGVPXXUOKU-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN CCC[C@H](C[NH3+])[C@H](CC)C(=O)[O-] 118647758 572853636 /nfs/dbraw/zinc/85/36/36/572853636.db2.gz GQKAMBLFSLFNOO-SFYZADRCSA-N 0 0 173.256 1.472 10 0 ADAERN CC(=O)c1cnc(-c2cnoc2)n1C 75518259 572853641 /nfs/dbraw/zinc/85/36/41/572853641.db2.gz ODAZRZUDDYDMJY-UHFFFAOYSA-N 0 0 191.190 1.278 10 0 ADAERN Nc1[nH]ccc1C(=O)C1CC1 75492598 572853688 /nfs/dbraw/zinc/85/36/88/572853688.db2.gz NFYVIXYNMZQHNV-UHFFFAOYSA-N 0 0 150.181 1.190 10 0 ADAERN CCNc1cc(C=O)c[nH]1 75492299 572853699 /nfs/dbraw/zinc/85/36/99/572853699.db2.gz NVTLAQHIOSECHT-UHFFFAOYSA-N 0 0 138.170 1.259 10 0 ADAERN Cc1ncoc1C(=O)c1cc(N)c[nH]1 75492425 572853705 /nfs/dbraw/zinc/85/37/05/572853705.db2.gz FXDDROZPILADKZ-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN Cn1cc(N)cc1N1CCCC1 75511198 572853868 /nfs/dbraw/zinc/85/38/68/572853868.db2.gz JDLNNDWSFVOPAQ-UHFFFAOYSA-N 0 0 165.240 1.208 10 0 ADAERN CCN(C)C(=O)CCSC(F)F 307963680 572853719 /nfs/dbraw/zinc/85/37/19/572853719.db2.gz ZKOKZLCZTZAFCV-UHFFFAOYSA-N 0 0 197.250 1.811 10 0 ADAERN Cc1ncoc1C(=O)c1cc[nH]c1N 75509327 572853724 /nfs/dbraw/zinc/85/37/24/572853724.db2.gz QLPQQZYDHVYCJE-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN CC(C)Cc1nc2c(o1)[C@@H](O)CNC2 75513207 572853759 /nfs/dbraw/zinc/85/37/59/572853759.db2.gz CTTAWDWIIQWGML-QMMMGPOBSA-N 0 0 196.250 1.010 10 0 ADAERN Nc1[nH]ccc1C(=O)c1ccco1 75492679 572853772 /nfs/dbraw/zinc/85/37/72/572853772.db2.gz BFHQQWWEYFJUBK-UHFFFAOYSA-N 0 0 176.175 1.421 10 0 ADAERN Nc1[nH]ccc1C(=O)c1ccccc1 75492622 572853782 /nfs/dbraw/zinc/85/37/82/572853782.db2.gz CPQFRPFREBNODB-UHFFFAOYSA-N 0 0 186.214 1.828 10 0 ADAERN CCCOC(=O)[C@@H](C)N(C)CC 307960504 572853783 /nfs/dbraw/zinc/85/37/83/572853783.db2.gz WHGBDQIEWQRTCV-MRVPVSSYSA-N 0 0 173.256 1.280 10 0 ADAERN O=Cc1c[nH]c(NC[C@@H]2CCCO2)c1 75492320 572853788 /nfs/dbraw/zinc/85/37/88/572853788.db2.gz CRQKYLYEWQJNDB-VIFPVBQESA-N 0 0 194.234 1.418 10 0 ADAERN CCC(C)(C)OC(=O)[C@@H](C)OC 307961337 572853817 /nfs/dbraw/zinc/85/38/17/572853817.db2.gz XFKHFCDOENTMFV-SSDOTTSWSA-N 0 0 174.240 1.753 10 0 ADAERN COCc1ccc(C(=O)C=O)cc1 118634116 572853818 /nfs/dbraw/zinc/85/38/18/572853818.db2.gz SHQWKGIFOBSANM-UHFFFAOYSA-N 0 0 178.187 1.215 10 0 ADAERN CC[C@@H](OC)[C@@H](CCCCF)NN 308146056 572853819 /nfs/dbraw/zinc/85/38/19/572853819.db2.gz NYVZDLICQHCLQU-RKDXNWHRSA-N 0 0 192.278 1.383 10 0 ADAERN CC(C)(C)/C=C\C(=O)OCCO 307960888 572853822 /nfs/dbraw/zinc/85/38/22/572853822.db2.gz KXOFIGCKDGINLY-PLNGDYQASA-N 0 0 172.224 1.124 10 0 ADAERN CC(C)C(=O)c1cc[nH]c1N 75492586 572853834 /nfs/dbraw/zinc/85/38/34/572853834.db2.gz XVRYXMNFBHZUIU-UHFFFAOYSA-N 0 0 152.197 1.436 10 0 ADAERN Nc1[nH]ccc1C(=O)c1ccccn1 75492690 572853842 /nfs/dbraw/zinc/85/38/42/572853842.db2.gz OEUXULZVMIFHGD-UHFFFAOYSA-N 0 0 187.202 1.223 10 0 ADAERN CC(C)CNc1ccc(C=O)n1C 75511164 572853846 /nfs/dbraw/zinc/85/38/46/572853846.db2.gz HIPMHAUBKGPZKG-UHFFFAOYSA-N 0 0 180.251 1.906 10 0 ADAERN Cn1cc(N)cc1NC[C@H]1CCCO1 75511268 572853859 /nfs/dbraw/zinc/85/38/59/572853859.db2.gz FUNLULKIDVMIQW-SECBINFHSA-N 0 0 195.266 1.198 10 0 ADAERN Cn1ccc(C(=O)C(C)(C)C)c1N 75511595 572853904 /nfs/dbraw/zinc/85/39/04/572853904.db2.gz QJALAAAIAGRUHG-UHFFFAOYSA-N 0 0 180.251 1.836 10 0 ADAERN Nc1c[nH]c(NC[C@H]2CCCO2)c1 75492274 572853908 /nfs/dbraw/zinc/85/39/08/572853908.db2.gz XBFYSFOUPOWZFR-MRVPVSSYSA-N 0 0 181.239 1.188 10 0 ADAERN CCNc1cc(C=O)cn1C 75511302 572853934 /nfs/dbraw/zinc/85/39/34/572853934.db2.gz FCHXMADAJGXGOS-UHFFFAOYSA-N 0 0 152.197 1.269 10 0 ADAERN CCn1nccc1/C=C(\C)CO 307960753 572853973 /nfs/dbraw/zinc/85/39/73/572853973.db2.gz WKUXQSVQBUJNAY-SOFGYWHQSA-N 0 0 166.224 1.299 10 0 ADAERN Nc1[nH]ccc1C(=O)c1cscn1 75509145 572853977 /nfs/dbraw/zinc/85/39/77/572853977.db2.gz BMJLJUYZMVIDOJ-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN CC(=O)c1cnc(-c2ccco2)n1C 75518198 572853992 /nfs/dbraw/zinc/85/39/92/572853992.db2.gz BMNUQMVAMTVZRA-UHFFFAOYSA-N 0 0 190.202 1.883 10 0 ADAERN Cn1cc(N)cc1C(=O)c1cc[nH]c1 75511411 572853996 /nfs/dbraw/zinc/85/39/96/572853996.db2.gz RJHFWZIXHQNSBZ-UHFFFAOYSA-N 0 0 189.218 1.166 10 0 ADAERN O=Cc1c[nH]c(N2CCCC2)c1 75492287 572854001 /nfs/dbraw/zinc/85/40/01/572854001.db2.gz WRVMZWRZZQLCFA-UHFFFAOYSA-N 0 0 164.208 1.427 10 0 ADAERN CSCCN(C)C(=O)C1(C)CC1 308145709 572854017 /nfs/dbraw/zinc/85/40/17/572854017.db2.gz KBAAWSFQVFYLSK-UHFFFAOYSA-N 0 0 187.308 1.608 10 0 ADAERN CCC[C@H](CC[NH3+])CCC(=O)[N-]C#N 86075926 572854018 /nfs/dbraw/zinc/85/40/18/572854018.db2.gz PPHXNUNQQRQTNY-VIFPVBQESA-N 0 0 197.282 1.129 10 0 ADAERN CC(=O)c1cc(CC(C)C)[nH]c1N 75509899 572854020 /nfs/dbraw/zinc/85/40/20/572854020.db2.gz RONXEWAZCQYXKU-UHFFFAOYSA-N 0 0 180.251 1.998 10 0 ADAERN CC[C@@H](OC)[C@H](CCCCF)NN 308146054 572854021 /nfs/dbraw/zinc/85/40/21/572854021.db2.gz NYVZDLICQHCLQU-DTWKUNHWSA-N 0 0 192.278 1.383 10 0 ADAERN Cc1cnc(C(=O)c2cc(N)c[nH]2)o1 75492378 572854023 /nfs/dbraw/zinc/85/40/23/572854023.db2.gz ZRZUVRKTHRXNMJ-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN CC/C=C/C(=O)NC[C@H](C)OC 307961281 572854036 /nfs/dbraw/zinc/85/40/36/572854036.db2.gz XCXOYAQWWVKSQG-GJIOHYHPSA-N 0 0 171.240 1.104 10 0 ADAERN Cc1coc(C(=O)c2cc(N)c[nH]2)n1 75492375 572854049 /nfs/dbraw/zinc/85/40/49/572854049.db2.gz KMUCVKACGCIIJU-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN C[C@@H]1CCN(c2ccc(N)c(N)c2)C1 235364479 572854081 /nfs/dbraw/zinc/85/40/81/572854081.db2.gz ITQZBXKWBVOBEI-MRVPVSSYSA-N 0 0 191.278 1.697 10 0 ADAERN CC(=O)c1cnnn1CCC1CC1 308145572 572854105 /nfs/dbraw/zinc/85/41/05/572854105.db2.gz NWEOYRVPRWIWKF-UHFFFAOYSA-N 0 0 179.223 1.281 10 0 ADAERN CS[C@H](C(=O)N(C)C)C(C)(C)C 308146170 572854166 /nfs/dbraw/zinc/85/41/66/572854166.db2.gz KIEVNSQXIZPQAE-SSDOTTSWSA-N 0 0 189.324 1.852 10 0 ADAERN O[C@]1(c2cncnc2)[C@H]2CCC[C@H]21 299898667 572854181 /nfs/dbraw/zinc/85/41/81/572854181.db2.gz VBVOIFJPFZTQNP-MYJAWHEDSA-N 0 0 176.219 1.094 10 0 ADAERN CCC[C@@H](CC[NH3+])CCC(=O)[N-]C#N 86075928 572854242 /nfs/dbraw/zinc/85/42/42/572854242.db2.gz PPHXNUNQQRQTNY-SECBINFHSA-N 0 0 197.282 1.129 10 0 ADAERN CCc1sc2[nH]cnc(=O)c2c1N 75465131 572854349 /nfs/dbraw/zinc/85/43/49/572854349.db2.gz ZMUSUGUBRDYRPE-UHFFFAOYSA-N 0 0 195.247 1.129 10 0 ADAERN CC(C)Cc1ncncc1N 75461989 572854579 /nfs/dbraw/zinc/85/45/79/572854579.db2.gz CRGKPMGPULQSKA-UHFFFAOYSA-N 0 0 151.213 1.257 10 0 ADAERN C[C@H]1CC[C@@H]1[N@H+](CC(=O)[O-])C1CC1 308146094 572854368 /nfs/dbraw/zinc/85/43/68/572854368.db2.gz OBMFCJUIINWMJA-CBAPKCEASA-N 0 0 183.251 1.334 10 0 ADAERN Nc1c[nH]c(Cc2ccccn2)c1 75454071 572854370 /nfs/dbraw/zinc/85/43/70/572854370.db2.gz KVFSQMHJKWFEIA-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@H+](CC(=O)[O-])C1CC1 308146093 572854388 /nfs/dbraw/zinc/85/43/88/572854388.db2.gz OBMFCJUIINWMJA-APPZFPTMSA-N 0 0 183.251 1.334 10 0 ADAERN Cn1ccc(C(=O)c2cc(N)c[nH]2)c1 75453975 572854443 /nfs/dbraw/zinc/85/44/43/572854443.db2.gz UUGGJYHDKOGWCZ-UHFFFAOYSA-N 0 0 189.218 1.166 10 0 ADAERN CC[C@H](OC)[C@H](CCCCF)NN 308146055 572854494 /nfs/dbraw/zinc/85/44/94/572854494.db2.gz NYVZDLICQHCLQU-IUCAKERBSA-N 0 0 192.278 1.383 10 0 ADAERN Nc1c[nH]c(C(=O)c2ccccc2)c1 75453894 572854495 /nfs/dbraw/zinc/85/44/95/572854495.db2.gz UEAFIEVMELEQQP-UHFFFAOYSA-N 0 0 186.214 1.828 10 0 ADAERN CC(=O)c1oc(C)c2cncnc12 75466730 572854508 /nfs/dbraw/zinc/85/45/08/572854508.db2.gz YAGPDFYTLIAXJA-UHFFFAOYSA-N 0 0 176.175 1.734 10 0 ADAERN COCCCc1cccc(C)n1 307961579 572854517 /nfs/dbraw/zinc/85/45/17/572854517.db2.gz MAVHQFOQUCLRRV-UHFFFAOYSA-N 0 0 165.236 1.969 10 0 ADAERN CO[C@@H]1CCC[C@@H]1C[C@H](O)C1CC1 308145703 572854518 /nfs/dbraw/zinc/85/45/18/572854518.db2.gz YFAYCJLSIOMNPG-OUAUKWLOSA-N 0 0 184.279 1.963 10 0 ADAERN Nc1c[nH]c(CCc2ccco2)c1 75454100 572854522 /nfs/dbraw/zinc/85/45/22/572854522.db2.gz GAFPQGNPDIQDOU-UHFFFAOYSA-N 0 0 176.219 1.975 10 0 ADAERN CO[C@@H]1CCC[C@@H]1C[C@@H](O)C1CC1 308145701 572854643 /nfs/dbraw/zinc/85/46/43/572854643.db2.gz YFAYCJLSIOMNPG-GMTAPVOTSA-N 0 0 184.279 1.963 10 0 ADAERN COC(=O)c1c[nH]c(C(C)(C)OC)n1 86075163 572854562 /nfs/dbraw/zinc/85/45/62/572854562.db2.gz BABXKUPNSOHEIV-UHFFFAOYSA-N 0 0 198.222 1.078 10 0 ADAERN Nc1cncnc1-c1cc[nH]c1 75463612 572854596 /nfs/dbraw/zinc/85/45/96/572854596.db2.gz WQICOHMNSIPDTA-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN [NH3+][C@H](CCCC(=O)[O-])c1ccco1 75455221 572854630 /nfs/dbraw/zinc/85/46/30/572854630.db2.gz CFUDBIPWHXKQIN-SSDOTTSWSA-N 0 0 183.207 1.534 10 0 ADAERN CC(C)OC[C@@H](O)c1ccc[nH]1 307962652 572854653 /nfs/dbraw/zinc/85/46/53/572854653.db2.gz NESPAZCZNSJOAY-SECBINFHSA-N 0 0 169.224 1.473 10 0 ADAERN CCc1cc2cnc(C(C)=O)nc2[nH]1 75454629 572854715 /nfs/dbraw/zinc/85/47/15/572854715.db2.gz BWGRMVJAXWAOAI-UHFFFAOYSA-N 0 0 189.218 1.723 10 0 ADAERN CCN(CCC(C)=O)CC(F)F 307962512 572854772 /nfs/dbraw/zinc/85/47/72/572854772.db2.gz YDLZHHFTFVIHFA-UHFFFAOYSA-N 0 0 179.210 1.553 10 0 ADAERN CN(C)c1sc(N)cc1C=O 75548325 572860840 /nfs/dbraw/zinc/86/08/40/572860840.db2.gz WJWGBUFBBDZUAY-UHFFFAOYSA-N 0 0 170.237 1.209 10 0 ADAERN CCc1ncc(N)c(-c2cc[nH]c2)n1 75463559 572854734 /nfs/dbraw/zinc/85/47/34/572854734.db2.gz NVXZOXOQYFAWTJ-UHFFFAOYSA-N 0 0 188.234 1.616 10 0 ADAERN COCc1nc(CC(C)C)ncc1N 75462021 572854777 /nfs/dbraw/zinc/85/47/77/572854777.db2.gz QWMPJLOUILOMIA-UHFFFAOYSA-N 0 0 195.266 1.404 10 0 ADAERN Cn1ccc(-c2ncncc2N)c1 75463669 572854786 /nfs/dbraw/zinc/85/47/86/572854786.db2.gz DKGXLXPETPKOSF-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CS(=O)(=O)c1ccc(CC2CC2)[nH]1 75469651 572854791 /nfs/dbraw/zinc/85/47/91/572854791.db2.gz LYKDLUWNRDOXLP-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN CC(=O)CCOC(=O)C1CCCC1 308145891 572854812 /nfs/dbraw/zinc/85/48/12/572854812.db2.gz LOADFDFWCPYEOM-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CC(C)CCn1cc(C(N)=S)cn1 308146072 572854836 /nfs/dbraw/zinc/85/48/36/572854836.db2.gz NZXNXXBKJZVNKN-UHFFFAOYSA-N 0 0 197.307 1.563 10 0 ADAERN C[C@@H]1CC[C@H]1[N@H+](CC(=O)[O-])C1CC1 308146096 572854848 /nfs/dbraw/zinc/85/48/48/572854848.db2.gz OBMFCJUIINWMJA-VXNVDRBHSA-N 0 0 183.251 1.334 10 0 ADAERN O=C(c1cc2cncnc2o1)C1CC1 75480379 572854870 /nfs/dbraw/zinc/85/48/70/572854870.db2.gz SWWRPDVZFXBESS-UHFFFAOYSA-N 0 0 188.186 1.816 10 0 ADAERN CO[C@@H](C)COC(=O)CCSC 308146196 572854875 /nfs/dbraw/zinc/85/48/75/572854875.db2.gz KIVXGWSCFJWDIB-ZETCQYMHSA-N 0 0 192.280 1.318 10 0 ADAERN [NH3+][C@@H](CCCC(=O)[O-])c1ccncc1 75455219 572854891 /nfs/dbraw/zinc/85/48/91/572854891.db2.gz XBTAZLQILWGFHS-VIFPVBQESA-N 0 0 194.234 1.336 10 0 ADAERN Cc1ncncc1-c1ccc(N)n1C 257584229 572854894 /nfs/dbraw/zinc/85/48/94/572854894.db2.gz VJWRUESDUBUQEV-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Nc1coc(C(=O)C2CC2)c1 75479623 572854899 /nfs/dbraw/zinc/85/48/99/572854899.db2.gz SGWPUFZZRFMWFR-UHFFFAOYSA-N 0 0 151.165 1.455 10 0 ADAERN Cc1ncsc1-c1ncncc1N 75463819 572854919 /nfs/dbraw/zinc/85/49/19/572854919.db2.gz UVZSYTJQHOUMFY-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN COCc1nc(C(C)C)ncc1N 75462009 572855306 /nfs/dbraw/zinc/85/53/06/572855306.db2.gz WSXXSXGAUPACAP-UHFFFAOYSA-N 0 0 181.239 1.329 10 0 ADAERN CC[C@@H](C)S(=O)(=O)NC1(C)CC1 307962170 572854947 /nfs/dbraw/zinc/85/49/47/572854947.db2.gz XZAWXZIBVIRJHP-SSDOTTSWSA-N 0 0 191.296 1.257 10 0 ADAERN CC(C)(C)C(=O)OCn1cccn1 308146331 572854960 /nfs/dbraw/zinc/85/49/60/572854960.db2.gz LUUQIGHZBABMAV-UHFFFAOYSA-N 0 0 182.223 1.430 10 0 ADAERN CC[C@H](OC)[C@@H](CCCCF)NN 308146053 572855002 /nfs/dbraw/zinc/85/50/02/572855002.db2.gz NYVZDLICQHCLQU-BDAKNGLRSA-N 0 0 192.278 1.383 10 0 ADAERN Cn1ccc(C(=O)c2cc(N)co2)c1 75479757 572855019 /nfs/dbraw/zinc/85/50/19/572855019.db2.gz UGQIAGXUXRDGAT-UHFFFAOYSA-N 0 0 190.202 1.431 10 0 ADAERN CCCC(=O)C[NH+]1CCCC1 50184088 572865345 /nfs/dbraw/zinc/86/53/45/572865345.db2.gz IGOSSEURNMOLKW-UHFFFAOYSA-N 0 0 155.241 1.451 10 0 ADAERN CNC(=O)c1ccn2cc(C)nc2c1 71540778 572855035 /nfs/dbraw/zinc/85/50/35/572855035.db2.gz CHNVFGHNPGORCD-UHFFFAOYSA-N 0 0 189.218 1.002 10 0 ADAERN CCOCCC[C@H](O)c1nc(C)c[nH]1 689580140 572856000 /nfs/dbraw/zinc/85/60/00/572856000.db2.gz ZEIRUBWPSXWQTP-VIFPVBQESA-N 0 0 198.266 1.568 10 0 ADAERN CC(=O)c1cncn1-c1ccccn1 75517524 572855067 /nfs/dbraw/zinc/85/50/67/572855067.db2.gz SZLACLDPDQMLLR-UHFFFAOYSA-N 0 0 187.202 1.470 10 0 ADAERN Cn1cc(N)cc1C(=O)c1ccco1 75479075 572855071 /nfs/dbraw/zinc/85/50/71/572855071.db2.gz BXLBWKQVOCYUKM-UHFFFAOYSA-N 0 0 190.202 1.431 10 0 ADAERN Nc1cncnc1Cc1ccccc1 75462371 572855075 /nfs/dbraw/zinc/85/50/75/572855075.db2.gz IQHDJMHNDTYSJD-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN C[C@H]1C[C@H]1CC(=O)OCC1CC1 307962201 572855104 /nfs/dbraw/zinc/85/51/04/572855104.db2.gz YARWXRKBKOKWRS-CBAPKCEASA-N 0 0 168.236 1.986 10 0 ADAERN Nc1c[nH]c(CC2CC2)c1 75454009 572855140 /nfs/dbraw/zinc/85/51/40/572855140.db2.gz YAMMLVKDNKTFDN-UHFFFAOYSA-N 0 0 136.198 1.549 10 0 ADAERN Nc1c[nH]c(C(=O)C(F)(F)F)c1 75453853 572855145 /nfs/dbraw/zinc/85/51/45/572855145.db2.gz KHFIIOQKIKUDEC-UHFFFAOYSA-N 0 0 178.113 1.342 10 0 ADAERN COC1(Cc2nnc(N)s2)CCC1 234880225 572855156 /nfs/dbraw/zinc/85/51/56/572855156.db2.gz RPWLFXWHWFGTTB-UHFFFAOYSA-N 0 0 199.279 1.232 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)OCC1CC1 307962200 572855166 /nfs/dbraw/zinc/85/51/66/572855166.db2.gz YARWXRKBKOKWRS-APPZFPTMSA-N 0 0 168.236 1.986 10 0 ADAERN CC(=O)c1cc2cnc(C)nc2[nH]1 75461134 572855179 /nfs/dbraw/zinc/85/51/79/572855179.db2.gz HIZJUOWAALJIRD-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN Nc1c[nH]c(CCc2cccnc2)c1 75460756 572855199 /nfs/dbraw/zinc/85/51/99/572855199.db2.gz WCQTVCUCNOHVON-UHFFFAOYSA-N 0 0 187.246 1.777 10 0 ADAERN Nc1c[nH]c(C(=O)C2CCCC2)c1 75453878 572855217 /nfs/dbraw/zinc/85/52/17/572855217.db2.gz QUEDCQXFIRFGAE-UHFFFAOYSA-N 0 0 178.235 1.970 10 0 ADAERN Cc1sc2ncncc2c1N 75465042 572855258 /nfs/dbraw/zinc/85/52/58/572855258.db2.gz PXRCLSPWVXZNPO-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN C[C@@H](CSC(F)F)C(=O)N(C)C 307964664 572865499 /nfs/dbraw/zinc/86/54/99/572865499.db2.gz ZXNKTIWMVNZGRT-YFKPBYRVSA-N 0 0 197.250 1.667 10 0 ADAERN Cc1ncc(N)c(-c2ccncc2)n1 75463415 572855283 /nfs/dbraw/zinc/85/52/83/572855283.db2.gz GTCKMCQEXNFJNI-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1c[nH]c(Cc2cccnc2)c1 75460716 572855290 /nfs/dbraw/zinc/85/52/90/572855290.db2.gz VBGYLXIPXFWRNJ-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN COCc1ncc(C(C)=O)n1C(C)C 75515780 572855294 /nfs/dbraw/zinc/85/52/94/572855294.db2.gz QBBLHDBTLLCPLT-UHFFFAOYSA-N 0 0 196.250 1.813 10 0 ADAERN Nc1coc(C(=O)c2ccco2)c1 75479712 572855310 /nfs/dbraw/zinc/85/53/10/572855310.db2.gz UNPPWCQTUXJPDF-UHFFFAOYSA-N 0 0 177.159 1.686 10 0 ADAERN Cc1ncc(N)c(-c2cccnc2)n1 75463273 572855324 /nfs/dbraw/zinc/85/53/24/572855324.db2.gz WGKPIPJXUHVKFR-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ncc(N)c(-c2cc[nH]c2)n1 75463552 572855355 /nfs/dbraw/zinc/85/53/55/572855355.db2.gz FULZFQFDTIOOHW-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CC(C)(C)/C=C/C(=O)NCCF 307964791 572865850 /nfs/dbraw/zinc/86/58/50/572865850.db2.gz PZPACYBDVOYBHD-SNAWJCMRSA-N 0 0 173.231 1.674 10 0 ADAERN CC(C)CC(=O)c1cc(N)cn1C 75479036 572855466 /nfs/dbraw/zinc/85/54/66/572855466.db2.gz ZBZLLGLXPQTRHP-UHFFFAOYSA-N 0 0 180.251 1.836 10 0 ADAERN Cc1ncc2c(N)c(C)sc2n1 75465085 572855469 /nfs/dbraw/zinc/85/54/69/572855469.db2.gz UCBZEALSLVDHSF-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN CC[C@](C)(C(C)=O)N1CC(OC)C1 308146918 572855470 /nfs/dbraw/zinc/85/54/70/572855470.db2.gz ONDIULXORRIXMB-SNVBAGLBSA-N 0 0 185.267 1.075 10 0 ADAERN COC(C)(C)c1noc(CC(C)=O)n1 86075390 572855474 /nfs/dbraw/zinc/85/54/74/572855474.db2.gz VQWRWWMBJMRTSV-UHFFFAOYSA-N 0 0 198.222 1.083 10 0 ADAERN Nc1coc(C(=O)c2cc[nH]c2)c1 75479754 572855495 /nfs/dbraw/zinc/85/54/95/572855495.db2.gz ULJSGDGVBIRAJP-UHFFFAOYSA-N 0 0 176.175 1.421 10 0 ADAERN Cc1noc(C)c1Cc1cc(N)c[nH]1 75454046 572855500 /nfs/dbraw/zinc/85/55/00/572855500.db2.gz KBNYKZQPPTYQPU-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN Cc1nc(-c2ncncc2N)cs1 75463696 572855504 /nfs/dbraw/zinc/85/55/04/572855504.db2.gz JDAXSGONGKDQNX-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC(C)OCC(=O)OC1CCC1 307962321 572855524 /nfs/dbraw/zinc/85/55/24/572855524.db2.gz NDRYJEDNHUCHPU-UHFFFAOYSA-N 0 0 172.224 1.507 10 0 ADAERN CCC(=O)c1cc(N)cn1C 75479027 572855532 /nfs/dbraw/zinc/85/55/32/572855532.db2.gz MKKAOICVPVWIAR-UHFFFAOYSA-N 0 0 152.197 1.200 10 0 ADAERN Cc1oc(N)c(C)c1-c1ncn(C)n1 257584257 572855542 /nfs/dbraw/zinc/85/55/42/572855542.db2.gz VVTLAGUQTXJKJM-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN Nc1c[nH]c(C(=O)c2cccnc2)c1 75460691 572855547 /nfs/dbraw/zinc/85/55/47/572855547.db2.gz KOMOBEBRLKVDLI-UHFFFAOYSA-N 0 0 187.202 1.223 10 0 ADAERN CC(C)CSCC(=O)OCCF 307961404 572855590 /nfs/dbraw/zinc/85/55/90/572855590.db2.gz LUOSRMYUEHSYIW-UHFFFAOYSA-N 0 0 194.271 1.888 10 0 ADAERN CCCC/C(C)=C\[C@H](O)C(=O)OC 308147657 572855615 /nfs/dbraw/zinc/85/56/15/572855615.db2.gz DRUKSEABEHMIEE-FUOZMLNRSA-N 0 0 186.251 1.657 10 0 ADAERN CCCOC(=O)[C@H](C)N1CCC1 307961394 572855652 /nfs/dbraw/zinc/85/56/52/572855652.db2.gz XGVRONDKDFXCDA-QMMMGPOBSA-N 0 0 171.240 1.034 10 0 ADAERN [NH3+][C@@H](CCCC(=O)[O-])c1ccco1 75455224 572855653 /nfs/dbraw/zinc/85/56/53/572855653.db2.gz CFUDBIPWHXKQIN-ZETCQYMHSA-N 0 0 183.207 1.534 10 0 ADAERN CN(CC(F)(F)F)C1(CO)CC1 308146695 572855702 /nfs/dbraw/zinc/85/57/02/572855702.db2.gz KLDIZBCNFGHETB-UHFFFAOYSA-N 0 0 183.173 1.005 10 0 ADAERN CCCn1c(C(C)=O)cnc1COC 75516166 572855710 /nfs/dbraw/zinc/85/57/10/572855710.db2.gz BZGWCPDPUIJQEZ-UHFFFAOYSA-N 0 0 196.250 1.642 10 0 ADAERN CCc1ncc(N)c(-c2ccco2)n1 75463117 572855720 /nfs/dbraw/zinc/85/57/20/572855720.db2.gz NKLNGZLGRFJBLZ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN Cc1ncc(N)c(-c2ccccn2)n1 75463355 572855724 /nfs/dbraw/zinc/85/57/24/572855724.db2.gz AVTFGUIUAXIVEE-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCC/C(C)=C\[C@@H](O)C(=O)OC 308147658 572855735 /nfs/dbraw/zinc/85/57/35/572855735.db2.gz DRUKSEABEHMIEE-UFGYOYAJSA-N 0 0 186.251 1.657 10 0 ADAERN CCc1ncc(N)c(CC(C)C)n1 75461922 572855745 /nfs/dbraw/zinc/85/57/45/572855745.db2.gz GRZLAMWFTRSBGZ-UHFFFAOYSA-N 0 0 179.267 1.820 10 0 ADAERN Nc1cncnc1-c1ccc(F)cc1 75462796 572855751 /nfs/dbraw/zinc/85/57/51/572855751.db2.gz VKODWGXKEJSMLW-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN [NH3+]CC[C@@H](C/C=C/Cl)C(=O)[O-] 236251303 572855771 /nfs/dbraw/zinc/85/57/71/572855771.db2.gz IOZWDVRPTOWQRC-VMQRWORZSA-N 0 0 177.631 1.179 10 0 ADAERN CCCSCCCn1cncn1 307962205 572855772 /nfs/dbraw/zinc/85/57/72/572855772.db2.gz YBALGBTYALDRSW-UHFFFAOYSA-N 0 0 185.296 1.811 10 0 ADAERN Nc1sc(-c2ncco2)cc1C=O 75455140 572855781 /nfs/dbraw/zinc/85/57/81/572855781.db2.gz NIBJCPVFLUCMNP-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN Cc1noc(C)c1-c1ncncc1N 75462884 572855795 /nfs/dbraw/zinc/85/57/95/572855795.db2.gz FABDIONFMYJTFP-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CC(C)OCCOc1cn[nH]c1 307962069 572855796 /nfs/dbraw/zinc/85/57/96/572855796.db2.gz MSWKDWVHVIUSPO-UHFFFAOYSA-N 0 0 170.212 1.214 10 0 ADAERN Nc1coc(C(=O)Cc2ccco2)c1 75479509 572855818 /nfs/dbraw/zinc/85/58/18/572855818.db2.gz YWFHLYYOEJHZTA-UHFFFAOYSA-N 0 0 191.186 1.880 10 0 ADAERN OCCCCc1ccc[nH]1 77260225 572855819 /nfs/dbraw/zinc/85/58/19/572855819.db2.gz SQDROHRXKNLDLP-UHFFFAOYSA-N 0 0 139.198 1.330 10 0 ADAERN Nc1cncnc1-c1cscn1 75463740 572855841 /nfs/dbraw/zinc/85/58/41/572855841.db2.gz JRJNFQNFURREGO-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1c[nH]c(Cc2ccncc2)c1 75460719 572855857 /nfs/dbraw/zinc/85/58/57/572855857.db2.gz COZVCRQVHIAOJF-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN Nc1csc(C(=O)C2CC2)c1 75468172 572855887 /nfs/dbraw/zinc/85/58/87/572855887.db2.gz FBADQFNCIBLRMN-UHFFFAOYSA-N 0 0 167.233 1.923 10 0 ADAERN CC(C)C(=O)c1cc2cncnc2[nH]1 75454474 572855938 /nfs/dbraw/zinc/85/59/38/572855938.db2.gz YQAYJILGBQCYBJ-UHFFFAOYSA-N 0 0 189.218 1.797 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1C[C@@H]1CC 307962140 572855951 /nfs/dbraw/zinc/85/59/51/572855951.db2.gz XWZRXIJRLWTXSG-JYUDYDOHSA-N 0 0 167.252 1.867 10 0 ADAERN CC[C@H](CC(=O)[O-])[NH+]1C[C@@H](C)[C@H](C)C1 86013192 572855972 /nfs/dbraw/zinc/85/59/72/572855972.db2.gz GBDJIAJSQVDXAP-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN Nc1ncc(-c2csc(N)c2)cn1 257584317 572855979 /nfs/dbraw/zinc/85/59/79/572855979.db2.gz XMBHWMYDSCEMGA-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN [NH3+][C@H](CCCC(=O)[O-])c1cccnc1 75455213 572855995 /nfs/dbraw/zinc/85/59/95/572855995.db2.gz IMPTXCVJUSACJT-SECBINFHSA-N 0 0 194.234 1.336 10 0 ADAERN CC[C@@H](CC(=O)[O-])[N@H+]1C[C@@H](C)[C@@H](C)C1 86013178 572856005 /nfs/dbraw/zinc/85/60/05/572856005.db2.gz GBDJIAJSQVDXAP-AEJSXWLSSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1C[C@@H]1CC(=O)OCC1CC1 307962202 572856037 /nfs/dbraw/zinc/85/60/37/572856037.db2.gz YARWXRKBKOKWRS-IONNQARKSA-N 0 0 168.236 1.986 10 0 ADAERN Nc1coc(C(=O)c2ccncc2)c1 75479735 572856042 /nfs/dbraw/zinc/85/60/42/572856042.db2.gz HILPNYKKHKSPKA-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN Cc1ncc(N)c(Cc2ccccc2)n1 75462349 572856051 /nfs/dbraw/zinc/85/60/51/572856051.db2.gz LXOANYNMEDCMEM-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN COCc1nc(C(C)(C)C)ncc1N 75462003 572856058 /nfs/dbraw/zinc/85/60/58/572856058.db2.gz QCADWKAZGXUCEX-UHFFFAOYSA-N 0 0 195.266 1.503 10 0 ADAERN O=C([O-])c1csc2c1C[NH2+]CC2 75464419 572856063 /nfs/dbraw/zinc/85/60/63/572856063.db2.gz YIQCGHWMJHRWAF-UHFFFAOYSA-N 0 0 183.232 1.092 10 0 ADAERN CC(=O)C1(C(=O)CC(C)C)CC1 77262818 572856065 /nfs/dbraw/zinc/85/60/65/572856065.db2.gz VJOQPSOBORXZRF-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN Nc1cncnc1Cc1cscn1 75462300 572856095 /nfs/dbraw/zinc/85/60/95/572856095.db2.gz WKBNBBJBXBRPIP-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN CC[C@H](O)CCCC(=O)CCOC 308147530 572856099 /nfs/dbraw/zinc/85/60/99/572856099.db2.gz DMFRADVDXQZBHT-VIFPVBQESA-N 0 0 188.267 1.533 10 0 ADAERN CC(=O)c1cncn1C[C@@H]1CCCO1 75516664 572856111 /nfs/dbraw/zinc/85/61/11/572856111.db2.gz CVBJOHLGSIQYEZ-VIFPVBQESA-N 0 0 194.234 1.265 10 0 ADAERN O=C(c1cc2cncnc2[nH]1)C1CC1 75454491 572856154 /nfs/dbraw/zinc/85/61/54/572856154.db2.gz RYBMQCQBBDMGLM-UHFFFAOYSA-N 0 0 187.202 1.551 10 0 ADAERN CC(C)C(=O)c1cc(N)cn1C 75479034 572856164 /nfs/dbraw/zinc/85/61/64/572856164.db2.gz YMOMYROIUXKMFR-UHFFFAOYSA-N 0 0 166.224 1.446 10 0 ADAERN Cc1noc(CCSC(F)F)n1 308147163 572856172 /nfs/dbraw/zinc/85/61/72/572856172.db2.gz KTFNOYZQPVQSHF-UHFFFAOYSA-N 0 0 194.206 1.876 10 0 ADAERN Nc1coc(C(=O)c2ccccn2)c1 75479730 572856192 /nfs/dbraw/zinc/85/61/92/572856192.db2.gz CHNLNCJQUCLYEE-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN CC(C)C(=O)OCc1ncccn1 308147587 572856948 /nfs/dbraw/zinc/85/69/48/572856948.db2.gz MMPOARCVNRVEKQ-UHFFFAOYSA-N 0 0 180.207 1.176 10 0 ADAERN Nc1c[nH]c(CCc2ccncc2)c1 75460758 572856253 /nfs/dbraw/zinc/85/62/53/572856253.db2.gz HOFXKLDBFOIANE-UHFFFAOYSA-N 0 0 187.246 1.777 10 0 ADAERN Nc1c[nH]c(C(=O)c2ccncc2)c1 75460695 572856286 /nfs/dbraw/zinc/85/62/86/572856286.db2.gz NFGOJFVXAYCUTM-UHFFFAOYSA-N 0 0 187.202 1.223 10 0 ADAERN Nc1c[nH]c(C(=O)c2cc[nH]c2)c1 75453974 572856317 /nfs/dbraw/zinc/85/63/17/572856317.db2.gz VECWKYREBCNQIY-UHFFFAOYSA-N 0 0 175.191 1.156 10 0 ADAERN Cn1cc(C(=O)CCCCF)nn1 308147138 572856318 /nfs/dbraw/zinc/85/63/18/572856318.db2.gz OTHXWPPFPOABJG-UHFFFAOYSA-N 0 0 185.202 1.138 10 0 ADAERN Cn1cc(N)cc1C(=O)C1CC1 75479039 572856330 /nfs/dbraw/zinc/85/63/30/572856330.db2.gz XKKPWOUMJXJVLG-UHFFFAOYSA-N 0 0 164.208 1.200 10 0 ADAERN CC(C)C(=O)c1cc(N)c[nH]1 75453863 572857058 /nfs/dbraw/zinc/85/70/58/572857058.db2.gz XUHSHFWKPXDSEC-UHFFFAOYSA-N 0 0 152.197 1.436 10 0 ADAERN Cc1ncc(N)c(-c2ccco2)n1 75463112 572856346 /nfs/dbraw/zinc/85/63/46/572856346.db2.gz OPYWJPYMKNFFIK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN C[C@@H](O)C1(C[C@@H](O)C(C)(C)C)CC1 308146936 572857060 /nfs/dbraw/zinc/85/70/60/572857060.db2.gz OODVLQKDMYUUFV-RKDXNWHRSA-N 0 0 186.295 1.945 10 0 ADAERN Cc1cc(-c2cc(N)oc2C)ncn1 257584368 572856412 /nfs/dbraw/zinc/85/64/12/572856412.db2.gz YXOXGJKUHYRWKF-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CCC(=O)c1cc(N)c(SC)[nH]1 75469791 572856428 /nfs/dbraw/zinc/85/64/28/572856428.db2.gz WXNUTQOOCDMFNO-UHFFFAOYSA-N 0 0 184.264 1.912 10 0 ADAERN CC[C@H](C)OCn1ccncc1=O 308146959 572856441 /nfs/dbraw/zinc/85/64/41/572856441.db2.gz OPWIFKJHEUANRN-QMMMGPOBSA-N 0 0 182.223 1.016 10 0 ADAERN CC[C@@](C)(C(C)=O)N1CC(OC)C1 308146917 572856465 /nfs/dbraw/zinc/85/64/65/572856465.db2.gz ONDIULXORRIXMB-JTQLQIEISA-N 0 0 185.267 1.075 10 0 ADAERN Nc1coc(C(=O)C(F)(F)F)c1 75479618 572856467 /nfs/dbraw/zinc/85/64/67/572856467.db2.gz YIJNLXJUSGGGTJ-UHFFFAOYSA-N 0 0 179.097 1.607 10 0 ADAERN CC(C)CCOC(=O)C(=O)C1CC1 308146999 572856473 /nfs/dbraw/zinc/85/64/73/572856473.db2.gz MDHIHMKESLMXOE-UHFFFAOYSA-N 0 0 184.235 1.555 10 0 ADAERN CC(=O)c1oc(C)c2c(N)ncnc12 75466659 572856502 /nfs/dbraw/zinc/85/65/02/572856502.db2.gz CETWXWKKZZADFY-UHFFFAOYSA-N 0 0 191.190 1.316 10 0 ADAERN CCc1cc(N)c(SC)n1C 75479184 572856516 /nfs/dbraw/zinc/85/65/16/572856516.db2.gz ZUERHANTBWQLIZ-UHFFFAOYSA-N 0 0 170.281 1.892 10 0 ADAERN CCc1oc(C(C)=O)c2ncncc12 75466745 572856519 /nfs/dbraw/zinc/85/65/19/572856519.db2.gz TWDOAFUPTMDVOL-UHFFFAOYSA-N 0 0 190.202 1.988 10 0 ADAERN CCC(C)(CC)OC(=O)[C@@H](C)CO 308147512 572856520 /nfs/dbraw/zinc/85/65/20/572856520.db2.gz DGPSAYLPYKIKSG-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN CC(=O)c1cncn1C[C@H]1CCCO1 75516666 572856539 /nfs/dbraw/zinc/85/65/39/572856539.db2.gz CVBJOHLGSIQYEZ-SECBINFHSA-N 0 0 194.234 1.265 10 0 ADAERN Cc1ncc(N)c(-c2ccn(C)c2)n1 75463614 572856547 /nfs/dbraw/zinc/85/65/47/572856547.db2.gz SJKYHGMUQRWYNP-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)C(=O)c1cc(N)co1 75479620 572856554 /nfs/dbraw/zinc/85/65/54/572856554.db2.gz LDVOZIFPNRZTDI-UHFFFAOYSA-N 0 0 153.181 1.701 10 0 ADAERN C[C@@H]1C[C@@H]1CC(=O)OCC1CC1 307962203 572856564 /nfs/dbraw/zinc/85/65/64/572856564.db2.gz YARWXRKBKOKWRS-VXNVDRBHSA-N 0 0 168.236 1.986 10 0 ADAERN CCc1cc(N)c(SC)[nH]1 75479101 572856574 /nfs/dbraw/zinc/85/65/74/572856574.db2.gz XVXLZWNGSWHFCT-UHFFFAOYSA-N 0 0 156.254 1.881 10 0 ADAERN CCCOC(=O)[C@@H](C)N1CCC1 307961392 572856602 /nfs/dbraw/zinc/85/66/02/572856602.db2.gz XGVRONDKDFXCDA-MRVPVSSYSA-N 0 0 171.240 1.034 10 0 ADAERN CCCc1cc(N)c[nH]1 75453998 572856607 /nfs/dbraw/zinc/85/66/07/572856607.db2.gz XLCOHFWXQBPKRO-UHFFFAOYSA-N 0 0 124.187 1.549 10 0 ADAERN CCC(=O)c1cc2cncnc2[nH]1 75454473 572856965 /nfs/dbraw/zinc/85/69/65/572856965.db2.gz UWMDELDQZDFVIN-UHFFFAOYSA-N 0 0 175.191 1.551 10 0 ADAERN COC(=O)/C=C\C[C@@H](O)C(C)(C)C 308147438 572856619 /nfs/dbraw/zinc/85/66/19/572856619.db2.gz DBIUQAYJEUOZPP-GRKOMRHMSA-N 0 0 186.251 1.513 10 0 ADAERN C[C@H](O)C1(C[C@@H](O)C(C)(C)C)CC1 308146934 572856626 /nfs/dbraw/zinc/85/66/26/572856626.db2.gz OODVLQKDMYUUFV-DTWKUNHWSA-N 0 0 186.295 1.945 10 0 ADAERN CCOCCC[C@@H](O)c1nc(C)c[nH]1 689580139 572856705 /nfs/dbraw/zinc/85/67/05/572856705.db2.gz ZEIRUBWPSXWQTP-SECBINFHSA-N 0 0 198.266 1.568 10 0 ADAERN Cc1noc(C)c1-c1ccc(N)n1C 257584261 572856731 /nfs/dbraw/zinc/85/67/31/572856731.db2.gz WAJKWJUEKOKETD-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN C[C@@H](O)C1(C[C@H](O)C(C)(C)C)CC1 308146933 572856749 /nfs/dbraw/zinc/85/67/49/572856749.db2.gz OODVLQKDMYUUFV-BDAKNGLRSA-N 0 0 186.295 1.945 10 0 ADAERN CCC(=O)c1cc2cnc(C)nc2[nH]1 75461136 572856755 /nfs/dbraw/zinc/85/67/55/572856755.db2.gz UBIYCIUGMULUFC-UHFFFAOYSA-N 0 0 189.218 1.859 10 0 ADAERN CSCC(=O)N(C)C1=CCCC1 308146717 572856783 /nfs/dbraw/zinc/85/67/83/572856783.db2.gz KMWZVCHIBAHEGX-UHFFFAOYSA-N 0 0 185.292 1.876 10 0 ADAERN Nc1c[nH]c(CC(F)(F)F)c1 75453995 572856789 /nfs/dbraw/zinc/85/67/89/572856789.db2.gz BNIXZFWIBGXLJV-UHFFFAOYSA-N 0 0 164.130 1.702 10 0 ADAERN Nc1cncnc1-c1cccc(F)c1 75463111 572856821 /nfs/dbraw/zinc/85/68/21/572856821.db2.gz LWEXRBVXXWKUFR-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CC(=O)c1cc(N)co1 75479614 572856825 /nfs/dbraw/zinc/85/68/25/572856825.db2.gz KOYKHHIQQHXTOK-UHFFFAOYSA-N 0 0 125.127 1.064 10 0 ADAERN CC(C)OCCCC(=O)OC1CC1 308147545 572856844 /nfs/dbraw/zinc/85/68/44/572856844.db2.gz MJMIQNNXDSDKSC-UHFFFAOYSA-N 0 0 186.251 1.897 10 0 ADAERN Nc1c[nH]c(C(=O)Cc2ccco2)c1 75453718 572856848 /nfs/dbraw/zinc/85/68/48/572856848.db2.gz KEAUGAHMMMGNSO-UHFFFAOYSA-N 0 0 190.202 1.615 10 0 ADAERN CC(C)C/C=C/C=C\[C@H](O)CCO 308147451 572857453 /nfs/dbraw/zinc/85/74/53/572857453.db2.gz DBTNSDSBZUVYIF-AEZHDUKBSA-N 0 0 184.279 1.888 10 0 ADAERN CC[C@H](C)SCC(=O)NC(C)=O 307961664 572856869 /nfs/dbraw/zinc/85/68/69/572856869.db2.gz XMAIJRRBJRLANP-LURJTMIESA-N 0 0 189.280 1.181 10 0 ADAERN CC(=O)CC[C@@H](C)CCCO 238427965 572856874 /nfs/dbraw/zinc/85/68/74/572856874.db2.gz FUXLGHLNRPMMLK-QMMMGPOBSA-N 0 0 158.241 1.764 10 0 ADAERN CCCc1ccc(S(C)(=O)=O)[nH]1 75469639 572856886 /nfs/dbraw/zinc/85/68/86/572856886.db2.gz VHRJDBBWSUEMBT-UHFFFAOYSA-N 0 0 187.264 1.371 10 0 ADAERN CC(C)Cc1cc(N)c[nH]1 75454002 572856891 /nfs/dbraw/zinc/85/68/91/572856891.db2.gz WUXSSOGPDGFCSX-UHFFFAOYSA-N 0 0 138.214 1.795 10 0 ADAERN CCC(=O)c1cc2cncnc2o1 75480369 572856900 /nfs/dbraw/zinc/85/69/00/572856900.db2.gz WSAAPKWVYOMWRB-UHFFFAOYSA-N 0 0 176.175 1.816 10 0 ADAERN Nc1sc(-c2cn[nH]c2)cc1C=O 75455163 572856921 /nfs/dbraw/zinc/85/69/21/572856921.db2.gz XWAYDYHLDGQGGY-UHFFFAOYSA-N 0 0 193.231 1.533 10 0 ADAERN Nc1c[nH]c(C(=O)c2cscn2)c1 75453985 572856934 /nfs/dbraw/zinc/85/69/34/572856934.db2.gz UUHGVQWFMDIOJO-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN Cc1ncc(N)c(-c2cscn2)n1 75463699 572856999 /nfs/dbraw/zinc/85/69/99/572856999.db2.gz BNTMTYSNELWOPD-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC[C@H](C)S(=O)(=O)NC1(C)CC1 307962171 572857013 /nfs/dbraw/zinc/85/70/13/572857013.db2.gz XZAWXZIBVIRJHP-ZETCQYMHSA-N 0 0 191.296 1.257 10 0 ADAERN Nc1sc(-c2cnco2)cc1C=O 75455146 572857014 /nfs/dbraw/zinc/85/70/14/572857014.db2.gz DNQODGGSJVKHLN-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN CCc1ncc(N)c(C(C)(C)C)n1 75461440 572857045 /nfs/dbraw/zinc/85/70/45/572857045.db2.gz PWWVHQPWINEOKR-UHFFFAOYSA-N 0 0 179.267 1.919 10 0 ADAERN Nc1cncnc1C1CCCC1 75462233 572857051 /nfs/dbraw/zinc/85/70/51/572857051.db2.gz PNOODWYGKDSZFN-UHFFFAOYSA-N 0 0 163.224 1.716 10 0 ADAERN CC[C@@H](C)SCC(=O)NC(C)=O 307961665 572857104 /nfs/dbraw/zinc/85/71/04/572857104.db2.gz XMAIJRRBJRLANP-ZCFIWIBFSA-N 0 0 189.280 1.181 10 0 ADAERN COC(C[C@@H](C)/C=C\CO)OC 307962795 572858408 /nfs/dbraw/zinc/85/84/08/572858408.db2.gz NNFUBHPAXCBZIT-LGYSABEFSA-N 0 0 174.240 1.180 10 0 ADAERN Nc1cncnc1-c1cccnc1 75463354 572857202 /nfs/dbraw/zinc/85/72/02/572857202.db2.gz ZZVCZQIHXQPCOU-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1csc(C(=O)c2ccc[nH]2)c1 75453951 572857211 /nfs/dbraw/zinc/85/72/11/572857211.db2.gz MWQKFOUSDYZZFD-UHFFFAOYSA-N 0 0 192.243 1.889 10 0 ADAERN Nc1coc(C(=O)c2cccnc2)c1 75479726 572857217 /nfs/dbraw/zinc/85/72/17/572857217.db2.gz WTHSFFSTBKDEQU-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN Nc1cncnc1-c1ccccc1F 75462760 572857234 /nfs/dbraw/zinc/85/72/34/572857234.db2.gz MOTNXPCFPKXHEU-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CC(C)CC(=O)c1cc(N)c[nH]1 75453871 572857238 /nfs/dbraw/zinc/85/72/38/572857238.db2.gz AXIILPHQXJZZLQ-UHFFFAOYSA-N 0 0 166.224 1.826 10 0 ADAERN Cc1cnc(Cl)n1C 118600611 572857247 /nfs/dbraw/zinc/85/72/47/572857247.db2.gz ZZYICRCDLICFHF-UHFFFAOYSA-N 0 0 130.578 1.382 10 0 ADAERN CC(C)(C)ONC(=O)/C=C\C1CC1 308147561 572857277 /nfs/dbraw/zinc/85/72/77/572857277.db2.gz MKSYOUJHKJMQAB-SREVYHEPSA-N 0 0 183.251 1.799 10 0 ADAERN CCC(=O)c1cc(N)co1 75479619 572857296 /nfs/dbraw/zinc/85/72/96/572857296.db2.gz BHXLMUNZQUBGAB-UHFFFAOYSA-N 0 0 139.154 1.455 10 0 ADAERN Nc1csc(C(=O)c2cc[nH]c2)c1 75468314 572857300 /nfs/dbraw/zinc/85/73/00/572857300.db2.gz FGQRGDMDYWCSQO-UHFFFAOYSA-N 0 0 192.243 1.889 10 0 ADAERN Cn1cc(N)cc1C(=O)C(C)(C)C 75479024 572857306 /nfs/dbraw/zinc/85/73/06/572857306.db2.gz VADGEQUYJJEPJB-UHFFFAOYSA-N 0 0 180.251 1.836 10 0 ADAERN Cc1cc(CN2CCOCC2)oc1N 257584297 572857335 /nfs/dbraw/zinc/85/73/35/572857335.db2.gz FHUGWLPKRQWGEG-UHFFFAOYSA-N 0 0 196.250 1.002 10 0 ADAERN CCC(=O)c1cc(N)c(SC)n1C 75469912 572857337 /nfs/dbraw/zinc/85/73/37/572857337.db2.gz BGCFDVXDIALMFM-UHFFFAOYSA-N 0 0 198.291 1.922 10 0 ADAERN C[C@H](O)CCC(=O)N[C@H](C)CC1CC1 86086352 572858521 /nfs/dbraw/zinc/85/85/21/572858521.db2.gz SXAVANSFIJZGFT-BDAKNGLRSA-N 0 0 199.294 1.452 10 0 ADAERN Nc1c[nH]c(Cc2ccco2)c1 75454063 572857352 /nfs/dbraw/zinc/85/73/52/572857352.db2.gz RHGSJLISTHUGQK-UHFFFAOYSA-N 0 0 162.192 1.781 10 0 ADAERN CC(C)(C)ONC(=O)/C=C/C1CC1 308147562 572857378 /nfs/dbraw/zinc/85/73/78/572857378.db2.gz MKSYOUJHKJMQAB-VOTSOKGWSA-N 0 0 183.251 1.799 10 0 ADAERN C[C@H](NC(=O)CC[C@@H](C)O)C1CC1 86086050 572858674 /nfs/dbraw/zinc/85/86/74/572858674.db2.gz KXTSWHMRENYCOO-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN Cn1ccnc1[C@H](O)CCCCF 308147200 572857402 /nfs/dbraw/zinc/85/74/02/572857402.db2.gz OVBYUMXVYCGEFS-MRVPVSSYSA-N 0 0 186.230 1.593 10 0 ADAERN CCC(=O)NC[C@@H](C)C(F)(F)F 307962820 572857420 /nfs/dbraw/zinc/85/74/20/572857420.db2.gz YOZJOBVPYYRVIJ-RXMQYKEDSA-N 0 0 183.173 1.711 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1C(=O)CCCO 86085856 572858704 /nfs/dbraw/zinc/85/87/04/572858704.db2.gz FAXYDSSZRKRXJA-AOOOYVTPSA-N 0 0 199.294 1.548 10 0 ADAERN CCN(CC)c1cncc(OC)c1 308146885 572857456 /nfs/dbraw/zinc/85/74/56/572857456.db2.gz ZPYHODJMWHNZKM-UHFFFAOYSA-N 0 0 180.251 1.936 10 0 ADAERN C/C(=C/C[C@@H]1COC(C)(C)O1)CO 308147533 572857461 /nfs/dbraw/zinc/85/74/61/572857461.db2.gz DNCMANOZBVPVJV-USYJTPIQSA-N 0 0 186.251 1.467 10 0 ADAERN C[C@H]1CCCN(C(=O)CCCO)CC1 86086288 572859312 /nfs/dbraw/zinc/85/93/12/572859312.db2.gz OGFSCOZGMBJHRV-JTQLQIEISA-N 0 0 199.294 1.408 10 0 ADAERN CC[C@H]1C(=O)NN[C@@]12CCCC2(C)C 714355553 572857536 /nfs/dbraw/zinc/85/75/36/572857536.db2.gz HYLBWRZERUGYPB-KWQFWETISA-N 0 0 196.294 1.596 10 0 ADAERN CCN(C(=O)CC[C@@H](C)O)C1CC1 86085825 572859672 /nfs/dbraw/zinc/85/96/72/572859672.db2.gz UTBWNOIZDVLVHH-MRVPVSSYSA-N 0 0 185.267 1.158 10 0 ADAERN [NH3+]CCC[C@@H](CCCCF)C(=O)[O-] 308147232 572857595 /nfs/dbraw/zinc/85/75/95/572857595.db2.gz OWALWIDLGFBPFZ-MRVPVSSYSA-N 0 0 191.246 1.566 10 0 ADAERN CCC1(C[C@H]([NH3+])C(=O)[O-])CCC1 307963017 572857600 /nfs/dbraw/zinc/85/76/00/572857600.db2.gz NWNWDBZWVWJDEA-ZETCQYMHSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@H](C)NC(=O)C[C@H]1C[C@H]1C 307962760 572857722 /nfs/dbraw/zinc/85/77/22/572857722.db2.gz YLVQIGOBQILIHG-HRDYMLBCSA-N 0 0 169.268 1.947 10 0 ADAERN CCC(CC)[NH2+]C[C@@H](C)CC(=O)[O-] 87982511 572858766 /nfs/dbraw/zinc/85/87/66/572858766.db2.gz KJKPSSJOSWUXGS-QMMMGPOBSA-N 0 0 187.283 1.875 10 0 ADAERN CC[C@@H](CC(=O)[O-])C[NH+](CC)CC 87982585 572857739 /nfs/dbraw/zinc/85/77/39/572857739.db2.gz WUNZLDAGRFJJPJ-VIFPVBQESA-N 0 0 187.283 1.829 10 0 ADAERN CC[C@H]1CCCN1C(=O)CC[C@@H](C)O 86085836 572857743 /nfs/dbraw/zinc/85/77/43/572857743.db2.gz CLUXQAWUFSARFW-ZJUUUORDSA-N 0 0 199.294 1.548 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/nfs/dbraw/zinc/85/91/49/572859149.db2.gz HELTXCXUQRMOMN-IONNQARKSA-N 0 0 193.202 1.024 10 0 ADAERN C[C@H]1CCC[C@H](C)N1C(=O)CCCO 86085857 572859153 /nfs/dbraw/zinc/85/91/53/572859153.db2.gz FAXYDSSZRKRXJA-UWVGGRQHSA-N 0 0 199.294 1.548 10 0 ADAERN C[C@H]1CCC[C@@H]1NC(=O)CCCO 86086307 572859159 /nfs/dbraw/zinc/85/91/59/572859159.db2.gz GEDLQWWGUYPTAU-IUCAKERBSA-N 0 0 185.267 1.064 10 0 ADAERN C[C@@H](CC1CC1)NC(=O)CC[C@@H](C)O 86086351 572859165 /nfs/dbraw/zinc/85/91/65/572859165.db2.gz SXAVANSFIJZGFT-DTWKUNHWSA-N 0 0 199.294 1.452 10 0 ADAERN CCCN(CC)C(=O)CC[C@@H](C)O 86085929 572859169 /nfs/dbraw/zinc/85/91/69/572859169.db2.gz LHPRYEQLXJLRFK-SECBINFHSA-N 0 0 187.283 1.406 10 0 ADAERN CC[C@H](C[NH2+][C@H](C)CC)CC(=O)[O-] 87982543 572859170 /nfs/dbraw/zinc/85/91/70/572859170.db2.gz ABISYFTUEYWBEQ-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN C[C@H](C1CC1)N(C)C(=O)CCCO 86086103 572859182 /nfs/dbraw/zinc/85/91/82/572859182.db2.gz YFFOOSJDRMGDNY-MRVPVSSYSA-N 0 0 185.267 1.016 10 0 ADAERN CCC1C[NH+](C[C@@H](CC)CC(=O)[O-])C1 87982559 572859189 /nfs/dbraw/zinc/85/91/89/572859189.db2.gz CDAURFQKICDWGE-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN O=C(CCCO)N1CCCCCCC1 86085901 572859200 /nfs/dbraw/zinc/85/92/00/572859200.db2.gz LOJGTSQLYYVSPU-UHFFFAOYSA-N 0 0 199.294 1.552 10 0 ADAERN C[C@@H](CC(=O)[O-])C[N@@H+]1CCC[C@H]1C 87982527 572859208 /nfs/dbraw/zinc/85/92/08/572859208.db2.gz RKZPERQBEANQOJ-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](O)CCC(=O)N(C)[C@H](C)C1CC1 86086107 572859230 /nfs/dbraw/zinc/85/92/30/572859230.db2.gz BJWRBKVRAAFFGE-RKDXNWHRSA-N 0 0 199.294 1.404 10 0 ADAERN CC[C@H](C)[NH2+]C[C@@H](C)CC(=O)[O-] 87982492 572859236 /nfs/dbraw/zinc/85/92/36/572859236.db2.gz FFCVDCNXFGOLFY-YUMQZZPRSA-N 0 0 173.256 1.485 10 0 ADAERN Nc1c[nH]c2ncc3c(c12)CCOC3 75585468 572859240 /nfs/dbraw/zinc/85/92/40/572859240.db2.gz MUVGXUBZNBQZIK-UHFFFAOYSA-N 0 0 189.218 1.218 10 0 ADAERN CN(CC1CCC1)C(=O)CCCO 86086245 572859241 /nfs/dbraw/zinc/85/92/41/572859241.db2.gz KTZYBLLPFGXHFE-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN CC[C@@H](CC(=O)[O-])C[N@@H+]1CC[C@@H]1C 87982571 572859263 /nfs/dbraw/zinc/85/92/63/572859263.db2.gz YEOWOCYRYZZDOD-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@@H]1[C@H](C)SCCN1N 75544775 572859270 /nfs/dbraw/zinc/85/92/70/572859270.db2.gz WGBJVZOUYXUOLA-NKWVEPMBSA-N 0 0 160.286 1.076 10 0 ADAERN C[C@H]1CCCCN1C(=O)CC[C@@H](C)O 86085866 572859282 /nfs/dbraw/zinc/85/92/82/572859282.db2.gz PURHJIFWZJNHCH-VHSXEESVSA-N 0 0 199.294 1.548 10 0 ADAERN CC[C@H](C)CNC(=O)CC[C@H](C)O 86086230 572859285 /nfs/dbraw/zinc/85/92/85/572859285.db2.gz ZFYVCYBRVMFEFP-IUCAKERBSA-N 0 0 187.283 1.310 10 0 ADAERN CC(C)Cc1noc(CCCO)n1 86085422 572859295 /nfs/dbraw/zinc/85/92/95/572859295.db2.gz LLVBLTVROZDNNS-UHFFFAOYSA-N 0 0 184.239 1.193 10 0 ADAERN CC(=O)CCn1cccc1C=O 75546728 572859297 /nfs/dbraw/zinc/85/92/97/572859297.db2.gz FBJNVOLNHJKYKC-UHFFFAOYSA-N 0 0 165.192 1.280 10 0 ADAERN CCC1(C[C@@H]([NH3+])C(=O)[O-])CCC1 307963016 572859302 /nfs/dbraw/zinc/85/93/02/572859302.db2.gz NWNWDBZWVWJDEA-SSDOTTSWSA-N 0 0 171.240 1.369 10 0 ADAERN CC1CCC(NC(=O)CCCO)CC1 86086037 572859303 /nfs/dbraw/zinc/85/93/03/572859303.db2.gz YOYBMJWTWXIKST-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CN(CC1CCCC1)C(=O)CCCO 86086282 572859307 /nfs/dbraw/zinc/85/93/07/572859307.db2.gz QHAUNHCRIUOYRR-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CC[C@H](C)N(C)C(=O)CC[C@H](C)O 86085820 572859320 /nfs/dbraw/zinc/85/93/20/572859320.db2.gz SZPCQKDRNLMZSZ-IUCAKERBSA-N 0 0 187.283 1.404 10 0 ADAERN C/C=C/CN[C@H](C)c1ccon1 307963139 572859322 /nfs/dbraw/zinc/85/93/22/572859322.db2.gz YXNCGXDLYUGILG-MPJRPATESA-N 0 0 166.224 1.901 10 0 ADAERN CC[C@H](CC(=O)[O-])C[NH+](CC)CC 87982586 572859328 /nfs/dbraw/zinc/85/93/28/572859328.db2.gz WUNZLDAGRFJJPJ-SECBINFHSA-N 0 0 187.283 1.829 10 0 ADAERN CC[C@@H](C)CN(C)C(=O)CCCO 86085946 572859330 /nfs/dbraw/zinc/85/93/30/572859330.db2.gz XHJOSKQSEFOFSK-SECBINFHSA-N 0 0 187.283 1.263 10 0 ADAERN C[C@H](O)CCC(=O)N(C)CC1CC1 86085793 572859336 /nfs/dbraw/zinc/85/93/36/572859336.db2.gz SUIFQKFEHVUERB-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN CCC(=O)NC[C@H](C)C(F)(F)F 307962821 572859349 /nfs/dbraw/zinc/85/93/49/572859349.db2.gz YOZJOBVPYYRVIJ-YFKPBYRVSA-N 0 0 183.173 1.711 10 0 ADAERN CCC(C)(C)NC(=O)CCCO 86086002 572859350 /nfs/dbraw/zinc/85/93/50/572859350.db2.gz LKOYHABCDCTENN-UHFFFAOYSA-N 0 0 173.256 1.064 10 0 ADAERN C[C@H]1CCN(C(=O)CCCO)[C@H](C)C1 86086184 572859359 /nfs/dbraw/zinc/85/93/59/572859359.db2.gz IUJTUZIQTKAMMI-VHSXEESVSA-N 0 0 199.294 1.406 10 0 ADAERN CC[C@H]1CCCN1C(=O)CCCO 86085834 572859380 /nfs/dbraw/zinc/85/93/80/572859380.db2.gz WGAGUHOFTPNZIZ-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN Nc1cc(C=O)c(N2CCCC2)o1 75549194 572862736 /nfs/dbraw/zinc/86/27/36/572862736.db2.gz MZUCPIKGHPDMMH-UHFFFAOYSA-N 0 0 180.207 1.275 10 0 ADAERN O=C(CCCO)N(CC1CC1)C1CC1 86086679 572862737 /nfs/dbraw/zinc/86/27/37/572862737.db2.gz KKKNTFVBNOWZBT-UHFFFAOYSA-N 0 0 197.278 1.160 10 0 ADAERN CC(C)CN(C(=O)CCCO)C1CC1 86085649 572859395 /nfs/dbraw/zinc/85/93/95/572859395.db2.gz ZMHQCNBZBORWDH-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H]1COc2ccccc2N1N 75546203 572859410 /nfs/dbraw/zinc/85/94/10/572859410.db2.gz NNKPXGDYRCLEEF-ZETCQYMHSA-N 0 0 164.208 1.148 10 0 ADAERN C[C@@H](O)CCC(=O)N1CCCC[C@H]1C 86085865 572859413 /nfs/dbraw/zinc/85/94/13/572859413.db2.gz PURHJIFWZJNHCH-NXEZZACHSA-N 0 0 199.294 1.548 10 0 ADAERN O=C(CCCO)NCC1CCCC1 86085969 572859429 /nfs/dbraw/zinc/85/94/29/572859429.db2.gz AXDAXKVOLFKWPP-UHFFFAOYSA-N 0 0 185.267 1.065 10 0 ADAERN CC[C@@H]1CCCN1C(=O)CC[C@@H](C)O 86085835 572859444 /nfs/dbraw/zinc/85/94/44/572859444.db2.gz CLUXQAWUFSARFW-NXEZZACHSA-N 0 0 199.294 1.548 10 0 ADAERN C[C@H](O)CCC(=O)N[C@H](C)C1CC1 86086051 572859468 /nfs/dbraw/zinc/85/94/68/572859468.db2.gz KXTSWHMRENYCOO-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN Cc1ncc(-c2ccc(N)n2C)o1 257589698 572863514 /nfs/dbraw/zinc/86/35/14/572863514.db2.gz NWDXURWHQCAKBW-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCC(CC)NC(=O)CCCO 86085668 572859477 /nfs/dbraw/zinc/85/94/77/572859477.db2.gz JKZILHFKHYGMRR-UHFFFAOYSA-N 0 0 173.256 1.064 10 0 ADAERN CC[C@H]1N=N[C@@H](N)S1 71605989 572859481 /nfs/dbraw/zinc/85/94/81/572859481.db2.gz WBBOCLVOCQYSLB-IUYQGCFVSA-N 0 0 131.204 1.164 10 0 ADAERN C[C@@H]1CCCN(C(=O)CCCO)CC1 86086287 572859499 /nfs/dbraw/zinc/85/94/99/572859499.db2.gz OGFSCOZGMBJHRV-SNVBAGLBSA-N 0 0 199.294 1.408 10 0 ADAERN CCC[C@H](C)NC(=O)CC[C@@H](C)O 86086017 572859510 /nfs/dbraw/zinc/85/95/10/572859510.db2.gz RVCKCVXVFYEEPS-DTWKUNHWSA-N 0 0 187.283 1.452 10 0 ADAERN CCCN(CC)C(=O)CCCO 86085928 572859516 /nfs/dbraw/zinc/85/95/16/572859516.db2.gz IALNYOVDQMFTRE-UHFFFAOYSA-N 0 0 173.256 1.017 10 0 ADAERN CC(C)[C@@H](C)NC(=O)CC[C@@H](C)O 86085987 572859521 /nfs/dbraw/zinc/85/95/21/572859521.db2.gz HBCNZMFQIUFDOW-RKDXNWHRSA-N 0 0 187.283 1.308 10 0 ADAERN CC[C@@H](C[NH2+]C(C)C)CC(=O)[O-] 87982534 572859533 /nfs/dbraw/zinc/85/95/33/572859533.db2.gz ROYWZYLZZJJZGJ-MRVPVSSYSA-N 0 0 173.256 1.485 10 0 ADAERN CC(C)C[C@@H](C)NC(=O)CCCO 86085977 572859536 /nfs/dbraw/zinc/85/95/36/572859536.db2.gz DLBKTOKEXVFFTR-SECBINFHSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@@H]1CCCN(C(=O)CCCO)C1 86085872 572859586 /nfs/dbraw/zinc/85/95/86/572859586.db2.gz IHFKHSIVGGQWNS-SECBINFHSA-N 0 0 185.267 1.017 10 0 ADAERN CCCC[C@@H](C)NC(=O)CCCO 86086194 572859594 /nfs/dbraw/zinc/85/95/94/572859594.db2.gz SSKPWQKRCNCNBQ-SECBINFHSA-N 0 0 187.283 1.454 10 0 ADAERN CC[C@H](CC1CC1)NC(=O)CCCO 86086296 572859619 /nfs/dbraw/zinc/85/96/19/572859619.db2.gz CFROPSCMTJAIMV-SNVBAGLBSA-N 0 0 199.294 1.454 10 0 ADAERN CCC(=O)COCC(C)C 50181133 572865175 /nfs/dbraw/zinc/86/51/75/572865175.db2.gz IDKPWYGSCHENMG-UHFFFAOYSA-N 0 0 144.214 1.638 10 0 ADAERN CCC[C@H](C)NC(=O)CCCO 86086015 572859633 /nfs/dbraw/zinc/85/96/33/572859633.db2.gz LSPIOLWYKNCWOT-QMMMGPOBSA-N 0 0 173.256 1.064 10 0 ADAERN CC[C@@H](C)CNC(=O)CC[C@H](C)O 86086229 572859640 /nfs/dbraw/zinc/85/96/40/572859640.db2.gz ZFYVCYBRVMFEFP-BDAKNGLRSA-N 0 0 187.283 1.310 10 0 ADAERN CC[C@@H](C)c1noc(CCCO)n1 86085405 572859650 /nfs/dbraw/zinc/85/96/50/572859650.db2.gz GZVRIVCJZFIDOO-SSDOTTSWSA-N 0 0 184.239 1.508 10 0 ADAERN C[C@H]1C[C@H]1c1noc(CCCO)n1 86085591 572859654 /nfs/dbraw/zinc/85/96/54/572859654.db2.gz XSHWBLGSFYPMKU-NKWVEPMBSA-N 0 0 182.223 1.118 10 0 ADAERN CC[C@@H]1CCCN1C(=O)CC[C@H](C)O 86085837 572859666 /nfs/dbraw/zinc/85/96/66/572859666.db2.gz CLUXQAWUFSARFW-VHSXEESVSA-N 0 0 199.294 1.548 10 0 ADAERN C[C@@H](CC(=O)[O-])C[N@@H+]1CC[C@H]1C 87982521 572859668 /nfs/dbraw/zinc/85/96/68/572859668.db2.gz LRYVKGLPDYMVIW-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN COC(C[C@H](C)/C=C/CO)OC 307962806 572859684 /nfs/dbraw/zinc/85/96/84/572859684.db2.gz NNFUBHPAXCBZIT-WTSVBCDHSA-N 0 0 174.240 1.180 10 0 ADAERN COCc1ccnc(COC)c1 307962972 572859692 /nfs/dbraw/zinc/85/96/92/572859692.db2.gz NRDVPYBUVKLIGV-UHFFFAOYSA-N 0 0 167.208 1.374 10 0 ADAERN CCN(CC(C)C)C(=O)CCCO 86085680 572859694 /nfs/dbraw/zinc/85/96/94/572859694.db2.gz QWGKUEMALUXEJF-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN O[C@@H](c1ccc(F)nc1)c1ccco1 686123494 572859698 /nfs/dbraw/zinc/85/96/98/572859698.db2.gz FBEDSRFECNWOPG-JTQLQIEISA-N 0 0 193.177 1.895 10 0 ADAERN CCC(CC)N(C)C(=O)CCCO 86085650 572859716 /nfs/dbraw/zinc/85/97/16/572859716.db2.gz OVXPVIXIUZSSHN-UHFFFAOYSA-N 0 0 187.283 1.406 10 0 ADAERN C[C@@H]1C[C@@H](C)CN(C(=O)CCCO)C1 86085862 572859721 /nfs/dbraw/zinc/85/97/21/572859721.db2.gz DOCNUJIAELGZDM-NXEZZACHSA-N 0 0 199.294 1.263 10 0 ADAERN C[C@@H](CC(=O)[O-])C[NH+]1CC2(CC2)C1 87982505 572859730 /nfs/dbraw/zinc/85/97/30/572859730.db2.gz HFXJWSNYTYUISZ-QMMMGPOBSA-N 0 0 183.251 1.193 10 0 ADAERN CC[C@@H]1CCCN1C(=O)CCCO 86085833 572859732 /nfs/dbraw/zinc/85/97/32/572859732.db2.gz WGAGUHOFTPNZIZ-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN C[C@@H](C1CC1)N(C)C(=O)CC[C@@H](C)O 86086105 572859736 /nfs/dbraw/zinc/85/97/36/572859736.db2.gz BJWRBKVRAAFFGE-BDAKNGLRSA-N 0 0 199.294 1.404 10 0 ADAERN CCCN(CCC)C(=O)CCCO 86085890 572859740 /nfs/dbraw/zinc/85/97/40/572859740.db2.gz UWNAVSNTJZTYKF-UHFFFAOYSA-N 0 0 187.283 1.408 10 0 ADAERN CCCN(CC)C(=O)CC[C@H](C)O 86085930 572859746 /nfs/dbraw/zinc/85/97/46/572859746.db2.gz LHPRYEQLXJLRFK-VIFPVBQESA-N 0 0 187.283 1.406 10 0 ADAERN CC(C)N(C)C(=O)CC[C@@H](C)O 86085885 572859750 /nfs/dbraw/zinc/85/97/50/572859750.db2.gz KRZXJNDKVRFXGQ-MRVPVSSYSA-N 0 0 173.256 1.014 10 0 ADAERN CCC1C[NH+](C[C@H](C)CC(=O)[O-])C1 87982510 572859757 /nfs/dbraw/zinc/85/97/57/572859757.db2.gz SNYIJLOKFIXXAM-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H](O)CCC(=O)N1CCC[C@@H](C)C1 86085876 572859777 /nfs/dbraw/zinc/85/97/77/572859777.db2.gz KSOWCAUUKVHNOS-ZJUUUORDSA-N 0 0 199.294 1.406 10 0 ADAERN Cn1cccc1CCCCO 77260716 572859784 /nfs/dbraw/zinc/85/97/84/572859784.db2.gz KJAMQEHHZBHSKF-UHFFFAOYSA-N 0 0 153.225 1.340 10 0 ADAERN Cc1c2c(nc3[nH]cc(N)c13)CCC2 75585255 572859794 /nfs/dbraw/zinc/85/97/94/572859794.db2.gz BKTLZRZFBLZKPF-UHFFFAOYSA-N 0 0 187.246 1.942 10 0 ADAERN Nc1cocc1CN1CCC(=O)CC1 257585068 572859806 /nfs/dbraw/zinc/85/98/06/572859806.db2.gz IWZCVFVPGSPWAG-UHFFFAOYSA-N 0 0 194.234 1.027 10 0 ADAERN CCC1(c2cnc(CNC)o2)CC1 308147729 572859814 /nfs/dbraw/zinc/85/98/14/572859814.db2.gz PCCNJBZVLHXTIW-UHFFFAOYSA-N 0 0 180.251 1.836 10 0 ADAERN C[C@@H]1CCCC[C@H]1NC(=O)CCCO 86086031 572859821 /nfs/dbraw/zinc/85/98/21/572859821.db2.gz KORJXGBMEVPOLG-NXEZZACHSA-N 0 0 199.294 1.454 10 0 ADAERN C[C@@H](CC(=O)[O-])C[N@@H+]1CC[C@@H]1C 87982522 572859826 /nfs/dbraw/zinc/85/98/26/572859826.db2.gz LRYVKGLPDYMVIW-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CCC[C@H](C)NC(=O)CC[C@H](C)O 86086019 572859827 /nfs/dbraw/zinc/85/98/27/572859827.db2.gz RVCKCVXVFYEEPS-IUCAKERBSA-N 0 0 187.283 1.452 10 0 ADAERN CCC(C)(C)NC(=O)CC[C@@H](C)O 86086003 572859832 /nfs/dbraw/zinc/85/98/32/572859832.db2.gz KXGLOSJVUXNJLZ-MRVPVSSYSA-N 0 0 187.283 1.452 10 0 ADAERN CC(C)/C=C/C(=O)NCC(F)F 307963152 572859851 /nfs/dbraw/zinc/85/98/51/572859851.db2.gz OAOBGLULCJZFLU-ONEGZZNKSA-N 0 0 177.194 1.580 10 0 ADAERN CC[C@H](C)NC(=O)C[C@@H]1C[C@H]1C 307962761 572859855 /nfs/dbraw/zinc/85/98/55/572859855.db2.gz YLVQIGOBQILIHG-VGMNWLOBSA-N 0 0 169.268 1.947 10 0 ADAERN CCCN(C(=O)CCCO)C1CC1 86085934 572859883 /nfs/dbraw/zinc/85/98/83/572859883.db2.gz SYPRPSSIPSHXBK-UHFFFAOYSA-N 0 0 185.267 1.160 10 0 ADAERN C[C@@H](CC1CC1)NC(=O)CCCO 86086348 572859887 /nfs/dbraw/zinc/85/98/87/572859887.db2.gz UPCBOFVINCWASB-QMMMGPOBSA-N 0 0 185.267 1.064 10 0 ADAERN CCC[C@@H](C)NC(=O)CC[C@H](C)O 86086018 572859890 /nfs/dbraw/zinc/85/98/90/572859890.db2.gz RVCKCVXVFYEEPS-BDAKNGLRSA-N 0 0 187.283 1.452 10 0 ADAERN C[C@H](O)CCC(=O)N(C)CC1CCC1 86086246 572859903 /nfs/dbraw/zinc/85/99/03/572859903.db2.gz ALPQGGJBCBTECD-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN CCC1CCN(C(=O)CCCO)CC1 86085741 572859909 /nfs/dbraw/zinc/85/99/09/572859909.db2.gz ZNQVYMUGIVWFDS-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CCN(C(=O)CCCO)C(C)C 86085917 572859915 /nfs/dbraw/zinc/85/99/15/572859915.db2.gz DVKWGZCNBIIKNK-UHFFFAOYSA-N 0 0 173.256 1.016 10 0 ADAERN C[C@H]1C[C@H](C)CCN1C(=O)CCCO 86086185 572859927 /nfs/dbraw/zinc/85/99/27/572859927.db2.gz IUJTUZIQTKAMMI-ZJUUUORDSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H](CC(=O)[O-])C[NH+]1CC(C)(C)C1 87982516 572859929 /nfs/dbraw/zinc/85/99/29/572859929.db2.gz RXULNOXENFVLEQ-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN CC[C@H]1CCCCN1C(=O)CCCO 86085921 572859946 /nfs/dbraw/zinc/85/99/46/572859946.db2.gz UGMMRAAMIWAYTP-JTQLQIEISA-N 0 0 199.294 1.550 10 0 ADAERN OCCCc1nc(-c2ccco2)no1 86085447 572859951 /nfs/dbraw/zinc/85/99/51/572859951.db2.gz ZNQPVYWOBPFWIX-UHFFFAOYSA-N 0 0 194.190 1.255 10 0 ADAERN CC1C[NH+](C[C@@H](C)CC(=O)[O-])C1 87982489 572859957 /nfs/dbraw/zinc/85/99/57/572859957.db2.gz MZIVESGAWKJRPU-ZETCQYMHSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@H](O)CCC(=O)N[C@@H](C)C1CC1 86086049 572859969 /nfs/dbraw/zinc/85/99/69/572859969.db2.gz KXTSWHMRENYCOO-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN 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572860425 /nfs/dbraw/zinc/86/04/25/572860425.db2.gz HBCGNGRBPHCVMN-NXEZZACHSA-N 0 0 199.294 1.406 10 0 ADAERN CN1c2coc(C=O)c2[C@H]2COC[C@H]21 257584983 572860428 /nfs/dbraw/zinc/86/04/28/572860428.db2.gz HIRQYHMQWQIHKO-NKWVEPMBSA-N 0 0 193.202 1.024 10 0 ADAERN CCCCCCNC(=O)CCCO 86086131 572860447 /nfs/dbraw/zinc/86/04/47/572860447.db2.gz MHRQJWGUOXXTHN-UHFFFAOYSA-N 0 0 187.283 1.455 10 0 ADAERN CCCc1n[nH]c(CC[C@H](C)O)n1 86085477 572860459 /nfs/dbraw/zinc/86/04/59/572860459.db2.gz IPKNINKQUZTJNF-ZETCQYMHSA-N 0 0 183.255 1.071 10 0 ADAERN OCCCc1nc(C2CCCC2)n[nH]1 86085482 572860480 /nfs/dbraw/zinc/86/04/80/572860480.db2.gz LGJKRPUNHAGYMB-UHFFFAOYSA-N 0 0 195.266 1.387 10 0 ADAERN NC(=O)OCCOc1ccc(F)cc1 238604387 572864417 /nfs/dbraw/zinc/86/44/17/572864417.db2.gz MUXRIVXOSCKSCM-UHFFFAOYSA-N 0 0 199.181 1.300 10 0 ADAERN CCN(CC)c1oc(N)cc1C(C)=O 75549243 572860500 /nfs/dbraw/zinc/86/05/00/572860500.db2.gz DTMFMMBTHSJLQW-UHFFFAOYSA-N 0 0 196.250 1.911 10 0 ADAERN CC(C)N(C)C(=O)CC[C@H](C)O 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ADAERN C[C@H]1CCCC[C@H]1NC(=O)CCCO 86086032 572860558 /nfs/dbraw/zinc/86/05/58/572860558.db2.gz KORJXGBMEVPOLG-VHSXEESVSA-N 0 0 199.294 1.454 10 0 ADAERN CCCN(C)C(=O)CC[C@@H](C)O 86085906 572860565 /nfs/dbraw/zinc/86/05/65/572860565.db2.gz PIERZAICQGONTB-MRVPVSSYSA-N 0 0 173.256 1.016 10 0 ADAERN CCN(C(=O)CC[C@H](C)O)C1CC1 86085826 572860578 /nfs/dbraw/zinc/86/05/78/572860578.db2.gz UTBWNOIZDVLVHH-QMMMGPOBSA-N 0 0 185.267 1.158 10 0 ADAERN CC[C@@H](CC1CC1)NC(=O)CCCO 86086295 572860601 /nfs/dbraw/zinc/86/06/01/572860601.db2.gz CFROPSCMTJAIMV-JTQLQIEISA-N 0 0 199.294 1.454 10 0 ADAERN COCCOCC(=O)CCCCF 308148295 572860664 /nfs/dbraw/zinc/86/06/64/572860664.db2.gz PIZIUAUEUHILPS-UHFFFAOYSA-N 0 0 192.230 1.358 10 0 ADAERN Cc1cnoc1-c1occc1N 257592475 572864458 /nfs/dbraw/zinc/86/44/58/572864458.db2.gz ABAXBMCKTTUHJV-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN OCCOCCc1cccs1 35326659 572860796 /nfs/dbraw/zinc/86/07/96/572860796.db2.gz JTFDHUNAEKNPKK-UHFFFAOYSA-N 0 0 172.249 1.300 10 0 ADAERN CC[C@H]1N=N[C@H](N)S1 71605987 572860799 /nfs/dbraw/zinc/86/07/99/572860799.db2.gz WBBOCLVOCQYSLB-IMJSIDKUSA-N 0 0 131.204 1.164 10 0 ADAERN CC(=O)c1cc(N(C)C)c[nH]1 75551618 572860813 /nfs/dbraw/zinc/86/08/13/572860813.db2.gz JUPMZRCQBCQNGI-UHFFFAOYSA-N 0 0 152.197 1.283 10 0 ADAERN Nc1cc(CN2CCOCC2)cs1 257585023 572860822 /nfs/dbraw/zinc/86/08/22/572860822.db2.gz IHOIMRXESVHNDO-UHFFFAOYSA-N 0 0 198.291 1.163 10 0 ADAERN Nc1cc(N2CCCC2)c(C=O)s1 75548813 572860835 /nfs/dbraw/zinc/86/08/35/572860835.db2.gz BVHMJFYXVMXKPN-UHFFFAOYSA-N 0 0 196.275 1.743 10 0 ADAERN Nc1oc(N2CCCCC2)cc1C=O 75549174 572860850 /nfs/dbraw/zinc/86/08/50/572860850.db2.gz ZXWWTQCRUAXIMK-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN C[C@H](O)CCC(=O)N1CCCC1(C)C 86086475 572860855 /nfs/dbraw/zinc/86/08/55/572860855.db2.gz JUWWKTUBLKNMOX-VIFPVBQESA-N 0 0 199.294 1.548 10 0 ADAERN CC(=O)c1cc(N)c(N2CCCC2)o1 75549140 572860857 /nfs/dbraw/zinc/86/08/57/572860857.db2.gz RMHCCPLSPNSAKI-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN CC(=O)c1ccc(N2CCOCC2)[nH]1 75551545 572860865 /nfs/dbraw/zinc/86/08/65/572860865.db2.gz WXACXFLFMIIGIZ-UHFFFAOYSA-N 0 0 194.234 1.054 10 0 ADAERN CCN(CC1CC1)C(=O)CC[C@H](C)O 86086382 572860904 /nfs/dbraw/zinc/86/09/04/572860904.db2.gz LYTKMMBESHEIIB-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN CCN(CC)c1cc(N)sc1C=O 75548823 572860905 /nfs/dbraw/zinc/86/09/05/572860905.db2.gz LCGUNAAGUIJWJI-UHFFFAOYSA-N 0 0 198.291 1.989 10 0 ADAERN O=Cc1cc(N2CCC[C@H](O)C2)co1 75549113 572860917 /nfs/dbraw/zinc/86/09/17/572860917.db2.gz HCEKUXZAFFRIMU-VIFPVBQESA-N 0 0 195.218 1.053 10 0 ADAERN C[C@H]1CCCCCN1C(=O)CCCO 86086384 572860918 /nfs/dbraw/zinc/86/09/18/572860918.db2.gz LXHGERISKKCQBG-JTQLQIEISA-N 0 0 199.294 1.550 10 0 ADAERN CCN(CC)c1[nH]c(N)cc1C(C)=O 75552112 572860934 /nfs/dbraw/zinc/86/09/34/572860934.db2.gz PLWAAZKPJGBBJL-UHFFFAOYSA-N 0 0 195.266 1.646 10 0 ADAERN C[C@@H](CC1CC1)NC(=O)CCCCO 86087091 572860988 /nfs/dbraw/zinc/86/09/88/572860988.db2.gz LFLLQVOQUNZUJL-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN CCN(CC)c1oc(N)cc1C=O 75549196 572861006 /nfs/dbraw/zinc/86/10/06/572861006.db2.gz YPOCEMAYXGJBGA-UHFFFAOYSA-N 0 0 182.223 1.521 10 0 ADAERN Nc1cc(C=O)oc1N1CCCCC1 75549121 572861016 /nfs/dbraw/zinc/86/10/16/572861016.db2.gz WBIJLTKOCBFYJQ-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN Nc1sc(N2CCCC2)cc1C=O 75548303 572861018 /nfs/dbraw/zinc/86/10/18/572861018.db2.gz BPKMAHGGMYZXHA-UHFFFAOYSA-N 0 0 196.275 1.743 10 0 ADAERN CC(=O)c1cc(N)c(N(C)C)o1 75549143 572861022 /nfs/dbraw/zinc/86/10/22/572861022.db2.gz RDFMADKOVGQLHV-UHFFFAOYSA-N 0 0 168.196 1.130 10 0 ADAERN CCc1sc(N)cc1N(C)C 75548954 572861025 /nfs/dbraw/zinc/86/10/25/572861025.db2.gz KKLUTONXRGGINU-UHFFFAOYSA-N 0 0 170.281 1.959 10 0 ADAERN CC(=O)c1oc(N)cc1N1CCCC1 75550351 572861040 /nfs/dbraw/zinc/86/10/40/572861040.db2.gz AAXTWNTURCWBOH-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN CCC(=C[C@H](N)C(=O)OC)CC 75561298 572864461 /nfs/dbraw/zinc/86/44/61/572864461.db2.gz YUDKNMJUGJJQGG-QMMMGPOBSA-N 0 0 171.240 1.233 10 0 ADAERN CC(=O)c1sc(N)cc1N(C)C 75548830 572861082 /nfs/dbraw/zinc/86/10/82/572861082.db2.gz WZMGXTZDYNHKEM-UHFFFAOYSA-N 0 0 184.264 1.599 10 0 ADAERN CC[C@H](O)CO[C@H](C)CC 50182228 572864464 /nfs/dbraw/zinc/86/44/64/572864464.db2.gz CQRPIUIBIMIXQN-SFYZADRCSA-N 0 0 146.230 1.572 10 0 ADAERN CC(C)[C@@H](C)CNC(=O)CCCO 86086637 572861084 /nfs/dbraw/zinc/86/10/84/572861084.db2.gz GNNOFOFNMYJCOE-VIFPVBQESA-N 0 0 187.283 1.167 10 0 ADAERN CC1(NC(=O)CCCO)CCCC1 86086477 572861115 /nfs/dbraw/zinc/86/11/15/572861115.db2.gz ZNBDJCKVHIPSOZ-UHFFFAOYSA-N 0 0 185.267 1.208 10 0 ADAERN Nc1cc(C=O)[nH]c1N1CCCCC1 75551722 572861123 /nfs/dbraw/zinc/86/11/23/572861123.db2.gz DIOHMGYSVGOAHN-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)C(=O)CCCCO 86087098 572861135 /nfs/dbraw/zinc/86/11/35/572861135.db2.gz QLBXUUKYSCZHRA-VHSXEESVSA-N 0 0 199.294 1.263 10 0 ADAERN CO[C@@H](C(C)=O)c1ccc(O)cc1 71611171 572861146 /nfs/dbraw/zinc/86/11/46/572861146.db2.gz RQJDJUZNBJKGPG-JTQLQIEISA-N 0 0 180.203 1.669 10 0 ADAERN C[NH2+][C@H](c1cnccn1)C(C)(C)OC 86073623 572865593 /nfs/dbraw/zinc/86/55/93/572865593.db2.gz GAUOSOBCVMLFJT-SECBINFHSA-N 0 0 195.266 1.162 10 0 ADAERN CN(C)c1cc(N)oc1C(=O)C1CC1 75550462 572861199 /nfs/dbraw/zinc/86/11/99/572861199.db2.gz XASJYTUTDAMLKT-UHFFFAOYSA-N 0 0 194.234 1.521 10 0 ADAERN C[C@H]1C[C@H]1c1noc(CCCCO)n1 86086887 572861214 /nfs/dbraw/zinc/86/12/14/572861214.db2.gz GTMHCGPSSZVJQY-JGVFFNPUSA-N 0 0 196.250 1.508 10 0 ADAERN COC(=O)/C=C1\CCC1(C)C 393601461 572861226 /nfs/dbraw/zinc/86/12/26/572861226.db2.gz TYRYWGWEDBYXDD-VOTSOKGWSA-N 0 0 154.209 1.906 10 0 ADAERN CCN(CC)c1cc(C=O)c(N)o1 75549177 572861230 /nfs/dbraw/zinc/86/12/30/572861230.db2.gz IEANLBPUHVTAQY-UHFFFAOYSA-N 0 0 182.223 1.521 10 0 ADAERN C[C@H]1C[C@@H]1c1noc(CCCCO)n1 86086885 572861176 /nfs/dbraw/zinc/86/11/76/572861176.db2.gz GTMHCGPSSZVJQY-YUMQZZPRSA-N 0 0 196.250 1.508 10 0 ADAERN CC[C@H](C)c1noc(CCCCO)n1 86086809 572861178 /nfs/dbraw/zinc/86/11/78/572861178.db2.gz JSPDSVQTYOROEZ-QMMMGPOBSA-N 0 0 198.266 1.898 10 0 ADAERN CCn1nccc1[C@H](O)C(C)(C)OC 86072161 572865699 /nfs/dbraw/zinc/86/56/99/572865699.db2.gz YGGWQGMDUSBANK-VIFPVBQESA-N 0 0 198.266 1.361 10 0 ADAERN O=Cc1cc(N2CCC(O)CC2)co1 75549118 572861240 /nfs/dbraw/zinc/86/12/40/572861240.db2.gz WUOQJUBIDZQERJ-UHFFFAOYSA-N 0 0 195.218 1.053 10 0 ADAERN Cc1cc(NC(=O)CCCCO)no1 86087044 572861243 /nfs/dbraw/zinc/86/12/43/572861243.db2.gz YMADYDHLWRNRLD-UHFFFAOYSA-N 0 0 198.222 1.084 10 0 ADAERN C[C@H]1CC[C@H](C)N(C(=O)CCCO)C1 86086739 572861267 /nfs/dbraw/zinc/86/12/67/572861267.db2.gz OXKCINBGSMKCID-UWVGGRQHSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H](O)CCC(=O)N[C@@H]1CC=CCC1 86086728 572861294 /nfs/dbraw/zinc/86/12/94/572861294.db2.gz JUOXMDSVGNVOSS-VHSXEESVSA-N 0 0 197.278 1.372 10 0 ADAERN CC(C)(C)c1noc(CCCCO)n1 86086813 572861300 /nfs/dbraw/zinc/86/13/00/572861300.db2.gz YJMZHYRFUKAQCK-UHFFFAOYSA-N 0 0 198.266 1.682 10 0 ADAERN CN1c2cc(C=O)oc2[C@@H]2COC[C@H]21 257584969 572861323 /nfs/dbraw/zinc/86/13/23/572861323.db2.gz HELTXCXUQRMOMN-VXNVDRBHSA-N 0 0 193.202 1.024 10 0 ADAERN CCN(CC)c1[nH]c(N)cc1C=O 75551946 572861338 /nfs/dbraw/zinc/86/13/38/572861338.db2.gz MXMHRGYKWDFNPK-UHFFFAOYSA-N 0 0 181.239 1.256 10 0 ADAERN Cn1cc(N)c2c3c(cnc21)CCC3 75585703 572861360 /nfs/dbraw/zinc/86/13/60/572861360.db2.gz BPWBTATYHDNSQM-UHFFFAOYSA-N 0 0 187.246 1.644 10 0 ADAERN Cc1c(CN2CCOCC2)coc1N 257584947 572861374 /nfs/dbraw/zinc/86/13/74/572861374.db2.gz GUWCOQNZCRMDNA-UHFFFAOYSA-N 0 0 196.250 1.002 10 0 ADAERN CCC(=O)c1cc(N)c(N(C)C)[nH]1 75554656 572861397 /nfs/dbraw/zinc/86/13/97/572861397.db2.gz NBMUQBAHCGTFOD-UHFFFAOYSA-N 0 0 181.239 1.256 10 0 ADAERN O=C(CCCO)NC[C@H]1CC=CCC1 86086544 572861409 /nfs/dbraw/zinc/86/14/09/572861409.db2.gz SQHOMZHQXUTRAZ-JTQLQIEISA-N 0 0 197.278 1.231 10 0 ADAERN C[C@@H]1CCCCCN1C(=O)CCCO 86086383 572861416 /nfs/dbraw/zinc/86/14/16/572861416.db2.gz LXHGERISKKCQBG-SNVBAGLBSA-N 0 0 199.294 1.550 10 0 ADAERN CC(=O)c1cc(N)oc1N1CCCC1 75549224 572861444 /nfs/dbraw/zinc/86/14/44/572861444.db2.gz FXONXUUKDROAKB-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN O=Cc1cc(N2CCC[C@@H](O)C2)co1 75549114 572861465 /nfs/dbraw/zinc/86/14/65/572861465.db2.gz HCEKUXZAFFRIMU-SECBINFHSA-N 0 0 195.218 1.053 10 0 ADAERN Nc1cc(C=O)c(N2CCCCC2)o1 75549193 572861467 /nfs/dbraw/zinc/86/14/67/572861467.db2.gz UIXGRQWHYOFMAL-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN CCc1ccc(C(=O)[C@@H](C)O)cc1 50161278 572861474 /nfs/dbraw/zinc/86/14/74/572861474.db2.gz MCLKLNIBLJUASH-MRVPVSSYSA-N 0 0 178.231 1.813 10 0 ADAERN CCOC(=O)n1ccc(C=O)c1 75554988 572861479 /nfs/dbraw/zinc/86/14/79/572861479.db2.gz DJRNGEMHPLQJRB-UHFFFAOYSA-N 0 0 167.164 1.305 10 0 ADAERN Nc1cc(N2CCCCC2)c(C=O)o1 75550347 572861484 /nfs/dbraw/zinc/86/14/84/572861484.db2.gz HZSBXXZBAWUPQU-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN Nc1cc(C=O)[nH]c1N1CCCC1 75551724 572861489 /nfs/dbraw/zinc/86/14/89/572861489.db2.gz XWGYNOMASORWER-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN CCN(CC)c1[nH]c(C=O)cc1N 75551729 572861515 /nfs/dbraw/zinc/86/15/15/572861515.db2.gz RASRAWLTLRGCKL-UHFFFAOYSA-N 0 0 181.239 1.256 10 0 ADAERN CCN(CC)c1sc(C=O)cc1N 75548252 572861494 /nfs/dbraw/zinc/86/14/94/572861494.db2.gz SHCIIAXAJULELH-UHFFFAOYSA-N 0 0 198.291 1.989 10 0 ADAERN Cc1c(N)coc1CN1CCOCC1 257584949 572861521 /nfs/dbraw/zinc/86/15/21/572861521.db2.gz GVBCXXAYPMUGTR-UHFFFAOYSA-N 0 0 196.250 1.002 10 0 ADAERN CC(=O)c1cc(N2CC[C@H](O)C2)co1 75549090 572861523 /nfs/dbraw/zinc/86/15/23/572861523.db2.gz CIIGVNASBNMPBW-VIFPVBQESA-N 0 0 195.218 1.053 10 0 ADAERN CO[C@H](C(C)=O)c1ccc(O)cc1 71611172 572861532 /nfs/dbraw/zinc/86/15/32/572861532.db2.gz RQJDJUZNBJKGPG-SNVBAGLBSA-N 0 0 180.203 1.669 10 0 ADAERN C[C@H](O)CCC(=O)NC1(C)CCCC1 86086478 572861551 /nfs/dbraw/zinc/86/15/51/572861551.db2.gz AUJRIUOBDRVEMY-VIFPVBQESA-N 0 0 199.294 1.596 10 0 ADAERN Nc1cc(C=O)c(N2CCCCC2)[nH]1 75551938 572861556 /nfs/dbraw/zinc/86/15/56/572861556.db2.gz DFRPEXSLBYCFKJ-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN CC[C@@H](C)[C@H](C)NC(=O)CCCO 86086589 572861563 /nfs/dbraw/zinc/86/15/63/572861563.db2.gz JISFJJHAKNIBDV-BDAKNGLRSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@H]1C[C@H]1CN(C)C(=O)CCCCO 86087100 572861589 /nfs/dbraw/zinc/86/15/89/572861589.db2.gz QLBXUUKYSCZHRA-UWVGGRQHSA-N 0 0 199.294 1.263 10 0 ADAERN CN(C)c1[nH]c(C(=O)C2CC2)cc1N 75554669 572861595 /nfs/dbraw/zinc/86/15/95/572861595.db2.gz AAXGJGYTWHQUGK-UHFFFAOYSA-N 0 0 193.250 1.256 10 0 ADAERN CC[C@H](NC(=O)CCCO)C(C)C 86086495 572861604 /nfs/dbraw/zinc/86/16/04/572861604.db2.gz NBQAEUAXRWJPNZ-VIFPVBQESA-N 0 0 187.283 1.310 10 0 ADAERN CC1(C)CCN(C(=O)CCCO)CC1 86086444 572861613 /nfs/dbraw/zinc/86/16/13/572861613.db2.gz KHFUKKDMTWEULQ-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CC(C)[C@H](C)CNC(=O)CCCO 86086638 572861671 /nfs/dbraw/zinc/86/16/71/572861671.db2.gz GNNOFOFNMYJCOE-SECBINFHSA-N 0 0 187.283 1.167 10 0 ADAERN CC[C@@H]1N=N[C@@H](N)S1 71605988 572861684 /nfs/dbraw/zinc/86/16/84/572861684.db2.gz WBBOCLVOCQYSLB-QWWZWVQMSA-N 0 0 131.204 1.164 10 0 ADAERN CCN(CC)c1oc(C(C)=O)cc1N 75549142 572861691 /nfs/dbraw/zinc/86/16/91/572861691.db2.gz IUAPOYGSKLCNSV-UHFFFAOYSA-N 0 0 196.250 1.911 10 0 ADAERN CC1(NC(=O)CCCO)CCCCC1 86086585 572861694 /nfs/dbraw/zinc/86/16/94/572861694.db2.gz ZALBHCANUGEARN-UHFFFAOYSA-N 0 0 199.294 1.598 10 0 ADAERN O[C@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1O 71610127 572861737 /nfs/dbraw/zinc/86/17/37/572861737.db2.gz QDBPWQKMBGOFTF-AATLWQCWSA-N 0 0 170.252 1.308 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc(CCCCO)n1 86086884 572861742 /nfs/dbraw/zinc/86/17/42/572861742.db2.gz GTMHCGPSSZVJQY-SFYZADRCSA-N 0 0 196.250 1.508 10 0 ADAERN CCC(=O)c1oc(N)cc1N(C)C 75550452 572861759 /nfs/dbraw/zinc/86/17/59/572861759.db2.gz MDLXXDUEBWEAOD-UHFFFAOYSA-N 0 0 182.223 1.521 10 0 ADAERN C[C@H]1CC[C@@H](C)N(C(=O)CCCO)C1 86086741 572861779 /nfs/dbraw/zinc/86/17/79/572861779.db2.gz OXKCINBGSMKCID-VHSXEESVSA-N 0 0 199.294 1.406 10 0 ADAERN CCC(=O)c1sc(N)cc1N(C)C 75548833 572861781 /nfs/dbraw/zinc/86/17/81/572861781.db2.gz BIURRCBRDNTNMR-UHFFFAOYSA-N 0 0 198.291 1.989 10 0 ADAERN C[C@@H](O)CCC(=O)N[C@H]1CC=CCC1 86086727 572861782 /nfs/dbraw/zinc/86/17/82/572861782.db2.gz JUOXMDSVGNVOSS-ZJUUUORDSA-N 0 0 197.278 1.372 10 0 ADAERN OCCCCc1nc(C2CC2)no1 86086828 572861810 /nfs/dbraw/zinc/86/18/10/572861810.db2.gz SRRVHCOYJWPSGI-UHFFFAOYSA-N 0 0 182.223 1.262 10 0 ADAERN CC(=O)c1cc(N2CCOCC2)c[nH]1 75551615 572861835 /nfs/dbraw/zinc/86/18/35/572861835.db2.gz SHNLHJLGBJRRON-UHFFFAOYSA-N 0 0 194.234 1.054 10 0 ADAERN CCC(=O)c1cc(N)sc1N(C)C 75548365 572861839 /nfs/dbraw/zinc/86/18/39/572861839.db2.gz YYADZNITHQDSPK-UHFFFAOYSA-N 0 0 198.291 1.989 10 0 ADAERN CN(CC(C)(C)C)C(=O)CCCO 86086485 572861840 /nfs/dbraw/zinc/86/18/40/572861840.db2.gz VQAWFWAWLZGVJH-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN CC[C@H](C)CNC(=O)CCCCO 86087059 572861845 /nfs/dbraw/zinc/86/18/45/572861845.db2.gz IAOKCTOMTAXJIO-VIFPVBQESA-N 0 0 187.283 1.311 10 0 ADAERN CCN(CC1CC1)C(=O)CCCO 86086380 572861852 /nfs/dbraw/zinc/86/18/52/572861852.db2.gz GEVBWOLROATUBO-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN Nc1cc(C=O)c(N2CCCC2)[nH]1 75551940 572861853 /nfs/dbraw/zinc/86/18/53/572861853.db2.gz IJXQYFKILKBJDU-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN CC1(C)CCCN1C(=O)CCCO 86086474 572861858 /nfs/dbraw/zinc/86/18/58/572861858.db2.gz QALJTPQFDVGLNC-UHFFFAOYSA-N 0 0 185.267 1.160 10 0 ADAERN CC(=O)c1cc(N2CC[C@@H](O)C2)co1 75549091 572861860 /nfs/dbraw/zinc/86/18/60/572861860.db2.gz CIIGVNASBNMPBW-SECBINFHSA-N 0 0 195.218 1.053 10 0 ADAERN CN(Cc1ccoc1)C(=O)CCCO 86086581 572861861 /nfs/dbraw/zinc/86/18/61/572861861.db2.gz QZEPJQOVHORMMS-UHFFFAOYSA-N 0 0 197.234 1.011 10 0 ADAERN CC(=O)c1cc(N2CCCC2)c(N)o1 75549157 572861876 /nfs/dbraw/zinc/86/18/76/572861876.db2.gz WKHNJSLKLLTAKO-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN C[C@@H]1CN(C(=O)CC[C@@H](C)O)C[C@@H]1C 86086787 572861892 /nfs/dbraw/zinc/86/18/92/572861892.db2.gz HQQCVBHBIXRCQJ-KXUCPTDWSA-N 0 0 199.294 1.262 10 0 ADAERN Nc1ccc([C@H]2CCCOC2)o1 257589502 572864500 /nfs/dbraw/zinc/86/45/00/572864500.db2.gz BHGGFTXJJDNMJX-ZETCQYMHSA-N 0 0 167.208 1.756 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)C(=O)CCCCO 86087099 572861898 /nfs/dbraw/zinc/86/18/98/572861898.db2.gz QLBXUUKYSCZHRA-ZJUUUORDSA-N 0 0 199.294 1.263 10 0 ADAERN CC(=O)c1cc(N2CCOCC2)co1 75549087 572861900 /nfs/dbraw/zinc/86/19/00/572861900.db2.gz AOJMXLYQXQPNPB-UHFFFAOYSA-N 0 0 195.218 1.319 10 0 ADAERN CCN(CC)c1cc(C=O)c(N)s1 75548305 572861904 /nfs/dbraw/zinc/86/19/04/572861904.db2.gz KEZXQOCQNRRCHL-UHFFFAOYSA-N 0 0 198.291 1.989 10 0 ADAERN Cc1cc(N)c(N2CCC(=O)CC2)[nH]1 75554429 572861908 /nfs/dbraw/zinc/86/19/08/572861908.db2.gz BQJYKWMAJLWDSI-UHFFFAOYSA-N 0 0 193.250 1.075 10 0 ADAERN CC(=O)c1cc(N)[nH]c1N1CCCC1 75552038 572861929 /nfs/dbraw/zinc/86/19/29/572861929.db2.gz XDJDZLHESCHBAD-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN CC(C)C(=O)c1oc(N)cc1N(C)C 75550453 572861938 /nfs/dbraw/zinc/86/19/38/572861938.db2.gz XVPSVOSBLSSQNE-UHFFFAOYSA-N 0 0 196.250 1.767 10 0 ADAERN CC[C@@H](NC(=O)CCCO)C(C)C 86086496 572861949 /nfs/dbraw/zinc/86/19/49/572861949.db2.gz NBQAEUAXRWJPNZ-SECBINFHSA-N 0 0 187.283 1.310 10 0 ADAERN C/C=C\C(=O)N(C)[C@@H]1CCO[C@@H]1C 393606031 572861990 /nfs/dbraw/zinc/86/19/90/572861990.db2.gz YHXQKEQZWNWCQQ-UVSMVFJQSA-N 0 0 183.251 1.198 10 0 ADAERN Nc1ccc([C@@H]2CCCOC2)o1 257589501 572862395 /nfs/dbraw/zinc/86/23/95/572862395.db2.gz BHGGFTXJJDNMJX-SSDOTTSWSA-N 0 0 167.208 1.756 10 0 ADAERN C[C@H](O)CCC(=O)N1CC[C@@H](C)C1 86086425 572862022 /nfs/dbraw/zinc/86/20/22/572862022.db2.gz KAOSVHZXFGEGPG-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN CN(C)c1coc(C=O)c1 75549107 572862397 /nfs/dbraw/zinc/86/23/97/572862397.db2.gz CMCUISPVTZAPNC-UHFFFAOYSA-N 0 0 139.154 1.158 10 0 ADAERN CC(C)[C@H]1CCCN1C(=O)CCCO 86086746 572862060 /nfs/dbraw/zinc/86/20/60/572862060.db2.gz YQDZNAWCGMLJBE-SNVBAGLBSA-N 0 0 199.294 1.406 10 0 ADAERN Cc1cnc2c(c(N)cn2C)c1C 75585733 572862076 /nfs/dbraw/zinc/86/20/76/572862076.db2.gz RWXCKAGTQNVTFP-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN CN(C)c1[nH]c(N)cc1C(=O)C1CC1 75552224 572862087 /nfs/dbraw/zinc/86/20/87/572862087.db2.gz OUWQMPLMKQZLBQ-UHFFFAOYSA-N 0 0 193.250 1.256 10 0 ADAERN C[C@@H]1CC[C@@H](C)N(C(=O)CCCO)C1 86086740 572862095 /nfs/dbraw/zinc/86/20/95/572862095.db2.gz OXKCINBGSMKCID-NXEZZACHSA-N 0 0 199.294 1.406 10 0 ADAERN CCN(CC)c1sc(N)cc1C=O 75548323 572862097 /nfs/dbraw/zinc/86/20/97/572862097.db2.gz YDJPUUGTSCJQHG-UHFFFAOYSA-N 0 0 198.291 1.989 10 0 ADAERN Nc1[nH]c(N2CCCCC2)cc1C=O 75551877 572862101 /nfs/dbraw/zinc/86/21/01/572862101.db2.gz SZDUSMLRNFSKCF-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN CCN(CC)c1cc(N)oc1C(C)=O 75550392 572862115 /nfs/dbraw/zinc/86/21/15/572862115.db2.gz FHSXYSFWMZOVLC-UHFFFAOYSA-N 0 0 196.250 1.911 10 0 ADAERN CCN(CC)c1cc(C=O)c(N)[nH]1 75551887 572862120 /nfs/dbraw/zinc/86/21/20/572862120.db2.gz VAWIULRGPIFBEV-UHFFFAOYSA-N 0 0 181.239 1.256 10 0 ADAERN Nc1oc(N2CCCC2)cc1C=O 75549175 572862127 /nfs/dbraw/zinc/86/21/27/572862127.db2.gz NYRPWARCWOYNJJ-UHFFFAOYSA-N 0 0 180.207 1.275 10 0 ADAERN Nc1ccoc1-c1cscn1 257592482 572862133 /nfs/dbraw/zinc/86/21/33/572862133.db2.gz CSWJMFFLPRWSGY-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1cc(C=O)oc1N1CCCC1 75549122 572862140 /nfs/dbraw/zinc/86/21/40/572862140.db2.gz KIFYZJLMUMWNLT-UHFFFAOYSA-N 0 0 180.207 1.275 10 0 ADAERN C[C@@H]1CC[C@@H](NC(=O)CCCO)[C@@H]1C 86086697 572862151 /nfs/dbraw/zinc/86/21/51/572862151.db2.gz XKXPUJURXUGVQU-OPRDCNLKSA-N 0 0 199.294 1.310 10 0 ADAERN Cc1cc(CN2CCOCC2)c(N)o1 257586171 572862408 /nfs/dbraw/zinc/86/24/08/572862408.db2.gz SSPFVUZJPFAUOD-UHFFFAOYSA-N 0 0 196.250 1.002 10 0 ADAERN CC(C)C(=O)c1cc(N)oc1N(C)C 75549276 572862174 /nfs/dbraw/zinc/86/21/74/572862174.db2.gz MNVIFRFOJRXDPZ-UHFFFAOYSA-N 0 0 196.250 1.767 10 0 ADAERN NC(=O)N[C@H]1[C@H]2CCCCC=C[C@H]21 238598101 572862176 /nfs/dbraw/zinc/86/21/76/572862176.db2.gz VWXHVETVZJOLIL-HRDYMLBCSA-N 0 0 180.251 1.400 10 0 ADAERN CC[C@H](C)[C@@H](C)NC(=O)CCCO 86086588 572862177 /nfs/dbraw/zinc/86/21/77/572862177.db2.gz JISFJJHAKNIBDV-DTWKUNHWSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@H](CC1CC1)NC(=O)CCCCO 86087092 572862181 /nfs/dbraw/zinc/86/21/81/572862181.db2.gz LFLLQVOQUNZUJL-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN O=Cc1cc(N2CCCC2)c[nH]1 75551664 572862206 /nfs/dbraw/zinc/86/22/06/572862206.db2.gz AZJBOPCZYPUFRC-UHFFFAOYSA-N 0 0 164.208 1.427 10 0 ADAERN CCc1ccnc2c1c(N)cn2C 75585735 572862209 /nfs/dbraw/zinc/86/22/09/572862209.db2.gz RSCNKMQDCWELKZ-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN CC(=O)c1cc(N2CCCC2)c[nH]1 75551605 572862212 /nfs/dbraw/zinc/86/22/12/572862212.db2.gz QXBYIMVJZSPZTJ-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN CC(=O)c1ccc(N(C)C)[nH]1 75551547 572862214 /nfs/dbraw/zinc/86/22/14/572862214.db2.gz AULYYJRBFAPNST-UHFFFAOYSA-N 0 0 152.197 1.283 10 0 ADAERN CC[C@@H](C)[C@@H](C)NC(=O)CCCO 86086587 572862215 /nfs/dbraw/zinc/86/22/15/572862215.db2.gz JISFJJHAKNIBDV-RKDXNWHRSA-N 0 0 187.283 1.310 10 0 ADAERN CCN(CC)c1cc(C(C)=O)[nH]c1N 75551842 572862222 /nfs/dbraw/zinc/86/22/22/572862222.db2.gz HACJGZRTWNPZRC-UHFFFAOYSA-N 0 0 195.266 1.646 10 0 ADAERN C[C@H](O)CCC(=O)N1CC[C@H](C)C1 86086426 572862246 /nfs/dbraw/zinc/86/22/46/572862246.db2.gz KAOSVHZXFGEGPG-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@@H](O)CCC(=O)NCCC1CC1 86086737 572862262 /nfs/dbraw/zinc/86/22/62/572862262.db2.gz IAADTFRZFWCDDP-MRVPVSSYSA-N 0 0 185.267 1.064 10 0 ADAERN CCCc1noc(CCCCO)n1 86086837 572862269 /nfs/dbraw/zinc/86/22/69/572862269.db2.gz UQEYNSCGVLOQHJ-UHFFFAOYSA-N 0 0 184.239 1.337 10 0 ADAERN O=Cc1cc(N2CCCCC2)c[nH]1 75551662 572862271 /nfs/dbraw/zinc/86/22/71/572862271.db2.gz QUYMFXOFFWOVIM-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN COC(=O)c1ncsc1C(C)=O 234616084 572862309 /nfs/dbraw/zinc/86/23/09/572862309.db2.gz WRSRMDVVWBPBAF-UHFFFAOYSA-N 0 0 185.204 1.132 10 0 ADAERN Cc1cc(N)c(N2CC[C@@H](O)C2)s1 75548687 572862315 /nfs/dbraw/zinc/86/23/15/572862315.db2.gz MZLCNVCMKHXYOI-SSDOTTSWSA-N 0 0 198.291 1.210 10 0 ADAERN C[C@H]1CCN(C(=O)CC[C@@H](C)O)C1 86086424 572862279 /nfs/dbraw/zinc/86/22/79/572862279.db2.gz KAOSVHZXFGEGPG-DTWKUNHWSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@@H](O)CCC(=O)N[C@@H]1CC1(C)C 86086536 572862283 /nfs/dbraw/zinc/86/22/83/572862283.db2.gz VSPOJJDVSSFHHO-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN Cc1coc(-c2ccc(N)n2C)n1 257589766 572862287 /nfs/dbraw/zinc/86/22/87/572862287.db2.gz YGQQFZYVFHBAMT-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CN(C)c1oc(C(=O)C2CC2)cc1N 75550163 572862295 /nfs/dbraw/zinc/86/22/95/572862295.db2.gz MRMROVXZHFDODD-UHFFFAOYSA-N 0 0 194.234 1.521 10 0 ADAERN CCCc1n[nH]c(CCCCO)n1 86086800 572862300 /nfs/dbraw/zinc/86/23/00/572862300.db2.gz FZYPNUFXNHWKLP-UHFFFAOYSA-N 0 0 183.255 1.072 10 0 ADAERN CC(C)[C@@H]1CCCN1C(=O)CCCO 86086745 572862413 /nfs/dbraw/zinc/86/24/13/572862413.db2.gz YQDZNAWCGMLJBE-JTQLQIEISA-N 0 0 199.294 1.406 10 0 ADAERN O=Cc1cc(N2CCCC2)co1 75549103 572862378 /nfs/dbraw/zinc/86/23/78/572862378.db2.gz FPTBXPAFBQRMJV-UHFFFAOYSA-N 0 0 165.192 1.692 10 0 ADAERN CC[C@H](C)[C@H](C)NC(=O)CCCO 86086590 572862379 /nfs/dbraw/zinc/86/23/79/572862379.db2.gz JISFJJHAKNIBDV-IUCAKERBSA-N 0 0 187.283 1.310 10 0 ADAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](C(N)=O)C2 71618317 572862430 /nfs/dbraw/zinc/86/24/30/572862430.db2.gz CMYIGTUDKVWKEU-DKCNOQQISA-N 0 0 181.279 1.934 10 0 ADAERN C[C@@H](O)CCC(=O)N1CCCC1(C)C 86086476 572862431 /nfs/dbraw/zinc/86/24/31/572862431.db2.gz JUWWKTUBLKNMOX-SECBINFHSA-N 0 0 199.294 1.548 10 0 ADAERN C[NH2+][C@H](c1cnn(C)c1)C(C)(C)OC 86073849 572865658 /nfs/dbraw/zinc/86/56/58/572865658.db2.gz NKEYWQYYYMPIPJ-SECBINFHSA-N 0 0 197.282 1.106 10 0 ADAERN CC(=O)c1cc(N2CCCC2)c(N)[nH]1 75551839 572862462 /nfs/dbraw/zinc/86/24/62/572862462.db2.gz BKMMUQDFUOGNIX-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN CCN(CC)c1cc(N)oc1C=O 75550422 572862480 /nfs/dbraw/zinc/86/24/80/572862480.db2.gz UFBZPOYTWMEQCZ-UHFFFAOYSA-N 0 0 182.223 1.521 10 0 ADAERN Cc1cc(-c2occc2N)nn1C 257589555 572862481 /nfs/dbraw/zinc/86/24/81/572862481.db2.gz JOLMFWADLWQJEP-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCC(=O)c1cc(N)c(N(C)C)o1 75550159 572862487 /nfs/dbraw/zinc/86/24/87/572862487.db2.gz TZPGOZWIQDTDFR-UHFFFAOYSA-N 0 0 182.223 1.521 10 0 ADAERN CCc1ccc(C(=O)[C@H](C)O)cc1 50161279 572862501 /nfs/dbraw/zinc/86/25/01/572862501.db2.gz MCLKLNIBLJUASH-QMMMGPOBSA-N 0 0 178.231 1.813 10 0 ADAERN CCN(CC)c1coc(C=O)c1 75549105 572862502 /nfs/dbraw/zinc/86/25/02/572862502.db2.gz DQXPRNGAKWXAHY-UHFFFAOYSA-N 0 0 167.208 1.938 10 0 ADAERN Cn1cc(-c2occc2N)cn1 257592486 572862518 /nfs/dbraw/zinc/86/25/18/572862518.db2.gz FVAUTOWTOPMRCV-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CC(C)N(CC1CC1)C(=O)CCCO 86086586 572862521 /nfs/dbraw/zinc/86/25/21/572862521.db2.gz QZVJTLUNKQATBU-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN CC(=O)c1cc(N(C)C)c(N)o1 75549161 572862523 /nfs/dbraw/zinc/86/25/23/572862523.db2.gz NJXOVLZYMNDZIB-UHFFFAOYSA-N 0 0 168.196 1.130 10 0 ADAERN CC(C)C(=O)c1cc(N)c(N(C)C)o1 75550160 572862564 /nfs/dbraw/zinc/86/25/64/572862564.db2.gz KANXNTBEKRBJKT-UHFFFAOYSA-N 0 0 196.250 1.767 10 0 ADAERN CCN(CC)c1cc(C(C)=O)oc1N 75549159 572862578 /nfs/dbraw/zinc/86/25/78/572862578.db2.gz HEYOAGLQCMCLPK-UHFFFAOYSA-N 0 0 196.250 1.911 10 0 ADAERN CCN(CC)c1c[nH]c(C=O)c1 75551672 572862615 /nfs/dbraw/zinc/86/26/15/572862615.db2.gz NIRJTTXJIGGTLX-UHFFFAOYSA-N 0 0 166.224 1.673 10 0 ADAERN CCC(=O)c1cc(N)c(N(C)C)s1 75548759 572862639 /nfs/dbraw/zinc/86/26/39/572862639.db2.gz KAWDSQFVOHUCLY-UHFFFAOYSA-N 0 0 198.291 1.989 10 0 ADAERN Cc1nnsc1-c1ccc(N)n1C 257586186 572862643 /nfs/dbraw/zinc/86/26/43/572862643.db2.gz UKTYFUJNUDHWHL-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCC(=O)c1cc(N)oc1N(C)C 75549275 572862645 /nfs/dbraw/zinc/86/26/45/572862645.db2.gz QIZSGFKMUKTPKF-UHFFFAOYSA-N 0 0 182.223 1.521 10 0 ADAERN C[C@@H]1C[C@H]1c1noc(CCCCO)n1 86086886 572862650 /nfs/dbraw/zinc/86/26/50/572862650.db2.gz GTMHCGPSSZVJQY-HTQZYQBOSA-N 0 0 196.250 1.508 10 0 ADAERN CCN(CC1CC1)C(=O)CC[C@@H](C)O 86086381 572862702 /nfs/dbraw/zinc/86/27/02/572862702.db2.gz LYTKMMBESHEIIB-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN CC[C@@H](C)c1noc(CCCCO)n1 86086808 572862677 /nfs/dbraw/zinc/86/26/77/572862677.db2.gz JSPDSVQTYOROEZ-MRVPVSSYSA-N 0 0 198.266 1.898 10 0 ADAERN CCC(=O)c1cc(N)[nH]c1N(C)C 75552216 572862683 /nfs/dbraw/zinc/86/26/83/572862683.db2.gz MEZFZXNOBXJWKD-UHFFFAOYSA-N 0 0 181.239 1.256 10 0 ADAERN CC[C@@H](C)CNC(=O)CCCCO 86087058 572862684 /nfs/dbraw/zinc/86/26/84/572862684.db2.gz IAOKCTOMTAXJIO-SECBINFHSA-N 0 0 187.283 1.311 10 0 ADAERN CCc1cc(N)c(N(C)C)s1 75548634 572862697 /nfs/dbraw/zinc/86/26/97/572862697.db2.gz GNQNNAZZXYCSBI-UHFFFAOYSA-N 0 0 170.281 1.959 10 0 ADAERN C[C@@H](O)CCC(=O)N[C@H]1CC1(C)C 86086538 572862706 /nfs/dbraw/zinc/86/27/06/572862706.db2.gz VSPOJJDVSSFHHO-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@@H](O)CCC(=O)NC1(C)CCCC1 86086479 572862712 /nfs/dbraw/zinc/86/27/12/572862712.db2.gz AUJRIUOBDRVEMY-SECBINFHSA-N 0 0 199.294 1.596 10 0 ADAERN Cc1cc(=O)n(-c2csc(N)c2)[nH]1 257586240 572862715 /nfs/dbraw/zinc/86/27/15/572862715.db2.gz YEEWLRUOZVXGAT-UHFFFAOYSA-N 0 0 195.247 1.530 10 0 ADAERN Cc1cc(-c2ccc(N)n2C)n[nH]1 257589708 572862724 /nfs/dbraw/zinc/86/27/24/572862724.db2.gz PIHNIBPMACZJCM-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN CCN(CC)c1oc(C=O)cc1N 75549124 572862753 /nfs/dbraw/zinc/86/27/53/572862753.db2.gz MASSKJDSOIQXDW-UHFFFAOYSA-N 0 0 182.223 1.521 10 0 ADAERN C/C=C(\C)C(=O)N[C@@H]1C[C@@H]1C 393617880 572862775 /nfs/dbraw/zinc/86/27/75/572862775.db2.gz MWTITHWQDAYPBD-VJYOWIMYSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@@H](O)CCC(=O)N1CC[C@@H](C)C1 86086423 572862802 /nfs/dbraw/zinc/86/28/02/572862802.db2.gz KAOSVHZXFGEGPG-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN COC(=O)c1cc(N)cnc1SC 234615621 572862865 /nfs/dbraw/zinc/86/28/65/572862865.db2.gz PNIFVHURISYKLJ-UHFFFAOYSA-N 0 0 198.247 1.172 10 0 ADAERN CC1=CN2CC(N)=CN=C2S1 257589703 572862878 /nfs/dbraw/zinc/86/28/78/572862878.db2.gz OZVQZMOLHANLMC-UHFFFAOYSA-N 0 0 167.237 1.066 10 0 ADAERN C[C@H]1CC[C@@H](C)CN1C(=O)CCCO 86086738 572862891 /nfs/dbraw/zinc/86/28/91/572862891.db2.gz OXKCINBGSMKCID-ZJUUUORDSA-N 0 0 199.294 1.406 10 0 ADAERN CN1CC2(CC2)c2cc(N)sc21 257589765 572862902 /nfs/dbraw/zinc/86/29/02/572862902.db2.gz YAHTWIVOMSRUOC-UHFFFAOYSA-N 0 0 180.276 1.812 10 0 ADAERN C[C@@H](O)CCC(=O)N[C@@H]1CC=CCC1 86086729 572862916 /nfs/dbraw/zinc/86/29/16/572862916.db2.gz JUOXMDSVGNVOSS-NXEZZACHSA-N 0 0 197.278 1.372 10 0 ADAERN C[C@H](O)CCC(=O)NCC(C)(C)C 86086442 572862935 /nfs/dbraw/zinc/86/29/35/572862935.db2.gz XFPVCOAVUPXLAZ-QMMMGPOBSA-N 0 0 187.283 1.310 10 0 ADAERN CC(C)c1noc(CCCCO)n1 86086827 572862939 /nfs/dbraw/zinc/86/29/39/572862939.db2.gz JPVFVKWGOHIHPF-UHFFFAOYSA-N 0 0 184.239 1.508 10 0 ADAERN CC(C)Cc1noc(CCCCO)n1 86086820 572862945 /nfs/dbraw/zinc/86/29/45/572862945.db2.gz SSMFYRNSTGGSDW-UHFFFAOYSA-N 0 0 198.266 1.583 10 0 ADAERN Cn1c(N)ccc1-c1ccncc1 257589753 572862956 /nfs/dbraw/zinc/86/29/56/572862956.db2.gz UYCSNPDGJBWZQH-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN NC(=O)SCC(=O)c1ccccc1 238610363 572862966 /nfs/dbraw/zinc/86/29/66/572862966.db2.gz KFYGLKDOQFOGCB-UHFFFAOYSA-N 0 0 195.243 1.681 10 0 ADAERN OCCCCc1nc(C2CCC2)no1 86086859 572862973 /nfs/dbraw/zinc/86/29/73/572862973.db2.gz NKGCZCAQKSGNNA-UHFFFAOYSA-N 0 0 196.250 1.652 10 0 ADAERN O=C(CCCO)NC[C@@H]1CC=CCC1 86086543 572862999 /nfs/dbraw/zinc/86/29/99/572862999.db2.gz SQHOMZHQXUTRAZ-SNVBAGLBSA-N 0 0 197.278 1.231 10 0 ADAERN C[C@H](O)CCC(=O)NCCC1CC1 86086736 572863026 /nfs/dbraw/zinc/86/30/26/572863026.db2.gz IAADTFRZFWCDDP-QMMMGPOBSA-N 0 0 185.267 1.064 10 0 ADAERN C[C@H](O)CCC(=O)N[C@@H]1CC1(C)C 86086535 572863043 /nfs/dbraw/zinc/86/30/43/572863043.db2.gz VSPOJJDVSSFHHO-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)C(=O)CCCCO 86087097 572863047 /nfs/dbraw/zinc/86/30/47/572863047.db2.gz QLBXUUKYSCZHRA-NXEZZACHSA-N 0 0 199.294 1.263 10 0 ADAERN C[C@H](C[C@@H]1CCCO1)NN(C)C 689716024 572863049 /nfs/dbraw/zinc/86/30/49/572863049.db2.gz IGTWQUOYALOONV-BDAKNGLRSA-N 0 0 172.272 1.010 10 0 ADAERN CC(C)c1n[nH]c(CCCCO)n1 86086799 572863094 /nfs/dbraw/zinc/86/30/94/572863094.db2.gz XYYTVMRSBJFOEW-UHFFFAOYSA-N 0 0 183.255 1.243 10 0 ADAERN NC(=O)N[C@H]1CCC=CCCC1 238593097 572863113 /nfs/dbraw/zinc/86/31/13/572863113.db2.gz MTONLEIIJGKOEI-QMMMGPOBSA-N 0 0 168.240 1.544 10 0 ADAERN O=C(CCCCF)c1ccncn1 308154279 572863117 /nfs/dbraw/zinc/86/31/17/572863117.db2.gz SLSLKLTWPMDVGY-UHFFFAOYSA-N 0 0 182.198 1.799 10 0 ADAERN CC(C)CCCNC(=O)CCCO 86086405 572863129 /nfs/dbraw/zinc/86/31/29/572863129.db2.gz TVJWEWMGUAUTRO-UHFFFAOYSA-N 0 0 187.283 1.311 10 0 ADAERN Cn1cc(N2CCCCC2)cc1C=O 75557081 572863135 /nfs/dbraw/zinc/86/31/35/572863135.db2.gz HREAESHDDNVIHU-UHFFFAOYSA-N 0 0 192.262 1.828 10 0 ADAERN Nc1ccoc1Cc1cc[nH]c1 257592483 572863140 /nfs/dbraw/zinc/86/31/40/572863140.db2.gz CXFFGNDOOFOXBI-UHFFFAOYSA-N 0 0 162.192 1.781 10 0 ADAERN OCCCCc1nc2cc[nH]cc-2n1 86086834 572863164 /nfs/dbraw/zinc/86/31/64/572863164.db2.gz HGDWHJBLCUZVIO-UHFFFAOYSA-N 0 0 191.234 1.273 10 0 ADAERN C[C@@H]1CC[C@H](NC(=O)CCCO)[C@@H]1C 86086695 572863178 /nfs/dbraw/zinc/86/31/78/572863178.db2.gz XKXPUJURXUGVQU-BBBLOLIVSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H](O)CCC(=O)NCC(C)(C)C 86086443 572863207 /nfs/dbraw/zinc/86/32/07/572863207.db2.gz XFPVCOAVUPXLAZ-MRVPVSSYSA-N 0 0 187.283 1.310 10 0 ADAERN C[C@H](O)CCC(=O)N[C@H]1CC1(C)C 86086537 572863214 /nfs/dbraw/zinc/86/32/14/572863214.db2.gz VSPOJJDVSSFHHO-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN COC[C@H](ON)c1ccccc1 75555333 572863231 /nfs/dbraw/zinc/86/32/31/572863231.db2.gz IHPJCUUPUIUDMI-VIFPVBQESA-N 0 0 167.208 1.264 10 0 ADAERN CCC(=O)c1cc(N)c(N(C)C)n1C 75559727 572863245 /nfs/dbraw/zinc/86/32/45/572863245.db2.gz QDVMPGRRJYJVLP-UHFFFAOYSA-N 0 0 195.266 1.266 10 0 ADAERN Cc1nc(NC(=O)C2CC2)ccc1N 71742267 572865665 /nfs/dbraw/zinc/86/56/65/572865665.db2.gz UVUNDNQLSPGXDY-UHFFFAOYSA-N 0 0 191.234 1.321 10 0 ADAERN OCCCCc1nc2cccnc2[nH]1 86086831 572863276 /nfs/dbraw/zinc/86/32/76/572863276.db2.gz KRDGLTBQYQBOFG-UHFFFAOYSA-N 0 0 191.234 1.273 10 0 ADAERN Cc1cnc(-c2occc2N)o1 257592503 572863296 /nfs/dbraw/zinc/86/32/96/572863296.db2.gz MAPYMZAHSXDXGO-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cn1cc(-c2ccc(N)n2C)cn1 257589738 572863317 /nfs/dbraw/zinc/86/33/17/572863317.db2.gz TYFGLEJDSIXHDE-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN Nc1ccc(C2CCOCC2)o1 257589734 572863327 /nfs/dbraw/zinc/86/33/27/572863327.db2.gz SSYGGCVERHQJIQ-UHFFFAOYSA-N 0 0 167.208 1.756 10 0 ADAERN Cc1cc(-c2occc2N)no1 257592541 572863354 /nfs/dbraw/zinc/86/33/54/572863354.db2.gz YXJYXZSGTNLAAF-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cn1c(N)ccc1-c1cccnn1 257589771 572863368 /nfs/dbraw/zinc/86/33/68/572863368.db2.gz ZCPSVZRLNOMGAK-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cc1occ(CN2CCOCC2)c1N 257586392 572863407 /nfs/dbraw/zinc/86/34/07/572863407.db2.gz ZSMDSAQHJSITPH-UHFFFAOYSA-N 0 0 196.250 1.002 10 0 ADAERN C[C@@](O)(C[C@@H]1CCOC1)c1ccc[nH]1 689770149 572865748 /nfs/dbraw/zinc/86/57/48/572865748.db2.gz XIEYEMMENVPQOT-GXSJLCMTSA-N 0 0 195.262 1.649 10 0 ADAERN Nc1cncnc1C(=O)c1ccccc1 238610053 572863424 /nfs/dbraw/zinc/86/34/24/572863424.db2.gz RRMGTCPMUFEKGW-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN Cn1ccc(-c2ccc(N)n2C)c1 257589696 572863426 /nfs/dbraw/zinc/86/34/26/572863426.db2.gz NRBMEGIMKJWUEK-UHFFFAOYSA-N 0 0 175.235 1.613 10 0 ADAERN Nc1ccc(CN2CCOCC2)s1 257586155 572863432 /nfs/dbraw/zinc/86/34/32/572863432.db2.gz RZEFHUVAJFBUGZ-UHFFFAOYSA-N 0 0 198.291 1.163 10 0 ADAERN C[C@@H]1COc2sc(N)cc21 257592526 572863444 /nfs/dbraw/zinc/86/34/44/572863444.db2.gz TYACTDJSOZUAAT-SCSAIBSYSA-N 0 0 155.222 1.826 10 0 ADAERN Cc1nc(-c2cc(N)c[nH]2)cn1C 257589526 572863458 /nfs/dbraw/zinc/86/34/58/572863458.db2.gz DOGABWJTLWTMHW-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN C[C@H](CO)c1ccc(O)cc1O 75555793 572863467 /nfs/dbraw/zinc/86/34/67/572863467.db2.gz VUBBDLFMYWSELG-ZCFIWIBFSA-N 0 0 168.192 1.194 10 0 ADAERN CC(C)(C)OCCn1occc1=O 308155101 572865757 /nfs/dbraw/zinc/86/57/57/572865757.db2.gz QUOGMBXYUSCAFK-UHFFFAOYSA-N 0 0 185.223 1.256 10 0 ADAERN CC[C@H](C)OC[C@H](O)CC 50182227 572865758 /nfs/dbraw/zinc/86/57/58/572865758.db2.gz CQRPIUIBIMIXQN-JGVFFNPUSA-N 0 0 146.230 1.572 10 0 ADAERN Cc1nnsc1-c1occc1N 257589699 572863507 /nfs/dbraw/zinc/86/35/07/572863507.db2.gz OHPZFIHOWGCXLI-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCCCCC(=O)C[S@](C)=O 118713875 572863542 /nfs/dbraw/zinc/86/35/42/572863542.db2.gz LCAUOLWVIJUNBB-LLVKDONJSA-N 0 0 176.281 1.514 10 0 ADAERN Cc1ncc(-c2occc2N)o1 257592476 572863565 /nfs/dbraw/zinc/86/35/65/572863565.db2.gz BPTABCNSBAMYTR-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cn1c(N2CCCC2)cc(C=O)c1N 75557331 572863570 /nfs/dbraw/zinc/86/35/70/572863570.db2.gz HBPNZTGKKCFPLN-UHFFFAOYSA-N 0 0 193.250 1.020 10 0 ADAERN Cc1[nH]c(-c2cc[nH]c2)nc1N 257592519 572863578 /nfs/dbraw/zinc/86/35/78/572863578.db2.gz RQUKFVQMPBVQIB-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN CCCCCc1ccc(C(N)=O)nc1 118713729 572863591 /nfs/dbraw/zinc/86/35/91/572863591.db2.gz JEEGSNBGNKRJAL-UHFFFAOYSA-N 0 0 192.262 1.913 10 0 ADAERN C[C@H]1CCCCN1c1ccc(N)[nH]1 257589722 572863613 /nfs/dbraw/zinc/86/36/13/572863613.db2.gz QFGLGSAJTGZGAE-QMMMGPOBSA-N 0 0 179.267 1.976 10 0 ADAERN CN(C/C=C\Cl)Cc1cc[nH]n1 307965431 572865770 /nfs/dbraw/zinc/86/57/70/572865770.db2.gz BLEFRUYBZMQMAN-RQOWECAXSA-N 0 0 185.658 1.594 10 0 ADAERN CN(C)c1cc(N)[nH]c1C(=O)C1CC1 75555292 572863679 /nfs/dbraw/zinc/86/36/79/572863679.db2.gz IMOGWLSBKYEFEL-UHFFFAOYSA-N 0 0 193.250 1.256 10 0 ADAERN Nc1ccoc1Cc1ccon1 257592544 572863691 /nfs/dbraw/zinc/86/36/91/572863691.db2.gz ZYIFLEYPBUBZKP-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN COC(=O)[C@@H](N)CC1(C)CCCC1 118721595 572863699 /nfs/dbraw/zinc/86/36/99/572863699.db2.gz QIPCBKBXHORENJ-QMMMGPOBSA-N 0 0 185.267 1.457 10 0 ADAERN CCn1ccnc1[C@H]([NH3+])C(C)(C)OC 86072886 572863726 /nfs/dbraw/zinc/86/37/26/572863726.db2.gz DORHFNWGVAHMEG-QMMMGPOBSA-N 0 0 197.282 1.328 10 0 ADAERN CC(C)(CF)NCc1cncnc1 308155116 572865779 /nfs/dbraw/zinc/86/57/79/572865779.db2.gz QVPYEUXNTPDXKO-UHFFFAOYSA-N 0 0 183.230 1.314 10 0 ADAERN CC[C@H](O)COCC1CC1 50182222 572863748 /nfs/dbraw/zinc/86/37/48/572863748.db2.gz CYAWCSAYZAMCKQ-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN CO[C@H](C)c1c(O)cccc1O 75555801 572863774 /nfs/dbraw/zinc/86/37/74/572863774.db2.gz QTHPQZSGURSYCR-ZCFIWIBFSA-N 0 0 168.192 1.805 10 0 ADAERN CCC(=O)CSCCOC 50181983 572863775 /nfs/dbraw/zinc/86/37/75/572863775.db2.gz IXPUOJOVJLCXLY-UHFFFAOYSA-N 0 0 162.254 1.345 10 0 ADAERN CCCCOCC(=O)CC 50181499 572863814 /nfs/dbraw/zinc/86/38/14/572863814.db2.gz AMFNDFLEDGDQLQ-UHFFFAOYSA-N 0 0 144.214 1.782 10 0 ADAERN CC[NH+](CC)Cc1cccc(NC)n1 86115118 572863823 /nfs/dbraw/zinc/86/38/23/572863823.db2.gz NTUYFBOQKSDUGQ-UHFFFAOYSA-N 0 0 193.294 1.965 10 0 ADAERN Cc1cnoc1-c1ccc(N)n1C 257589533 572863827 /nfs/dbraw/zinc/86/38/27/572863827.db2.gz FHQSBQAGTOXOIR-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN Cn1c(N)ccc1-c1cscn1 257589536 572863832 /nfs/dbraw/zinc/86/38/32/572863832.db2.gz FVFIHIOSWPMKIW-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Nc1ccc(CN2CCC(=O)CC2)o1 257586168 572863856 /nfs/dbraw/zinc/86/38/56/572863856.db2.gz SKRMOPCBDBXBEQ-UHFFFAOYSA-N 0 0 194.234 1.027 10 0 ADAERN CC(=O)c1cc(N2CCCC2)cn1C 75557019 572863857 /nfs/dbraw/zinc/86/38/57/572863857.db2.gz IYTMOMOKTSSUEV-UHFFFAOYSA-N 0 0 192.262 1.828 10 0 ADAERN Cn1cc(-c2csc(N)c2)cn1 257589573 572863897 /nfs/dbraw/zinc/86/38/97/572863897.db2.gz MDOSKTBUWONXBR-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Cn1cc(N2CCCC2)cc1C=O 75557082 572863902 /nfs/dbraw/zinc/86/39/02/572863902.db2.gz ZHBIEIXDQDFANV-UHFFFAOYSA-N 0 0 178.235 1.438 10 0 ADAERN CCN(CC)c1cc(N)[nH]c1C(C)=O 75555126 572863906 /nfs/dbraw/zinc/86/39/06/572863906.db2.gz PFRXGYAPNULDSD-UHFFFAOYSA-N 0 0 195.266 1.646 10 0 ADAERN CO[C@@H](C)c1c(O)cccc1O 75555797 572863912 /nfs/dbraw/zinc/86/39/12/572863912.db2.gz QTHPQZSGURSYCR-LURJTMIESA-N 0 0 168.192 1.805 10 0 ADAERN CCCC[C@H](O)C(C)(C)OC 86072192 572863930 /nfs/dbraw/zinc/86/39/30/572863930.db2.gz HABFMUZPOPBXOS-QMMMGPOBSA-N 0 0 160.257 1.963 10 0 ADAERN CCN(CC)c1cc(N)[nH]c1C=O 75555184 572863952 /nfs/dbraw/zinc/86/39/52/572863952.db2.gz HGZIMOVUJWGKAB-UHFFFAOYSA-N 0 0 181.239 1.256 10 0 ADAERN Cc1cc(-c2occc2N)on1 257592537 572863953 /nfs/dbraw/zinc/86/39/53/572863953.db2.gz YQIMLJPQKKTPGV-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN CCn1ccnc1[C@@H](O)C(C)(C)OC 86072260 572863970 /nfs/dbraw/zinc/86/39/70/572863970.db2.gz VDVRQAQMCODEQI-MRVPVSSYSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1ncoc1-c1occc1N 257592484 572864012 /nfs/dbraw/zinc/86/40/12/572864012.db2.gz DTPUWRMCHLVHNU-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)OC 86073851 572864020 /nfs/dbraw/zinc/86/40/20/572864020.db2.gz NKEYWQYYYMPIPJ-VIFPVBQESA-N 0 0 197.282 1.106 10 0 ADAERN CCCNc1cccc(C[NH+](C)C)n1 86115202 572864029 /nfs/dbraw/zinc/86/40/29/572864029.db2.gz CNJRSHZOIGKAFM-UHFFFAOYSA-N 0 0 193.294 1.965 10 0 ADAERN Nc1cc[nH]c1Cc1ccco1 257592481 572864051 /nfs/dbraw/zinc/86/40/51/572864051.db2.gz COXFHSUANVVJGI-UHFFFAOYSA-N 0 0 162.192 1.781 10 0 ADAERN CC[C@@H](O)COC(C)C 50182183 572864062 /nfs/dbraw/zinc/86/40/62/572864062.db2.gz LHVVHKMPOOYTEZ-SSDOTTSWSA-N 0 0 132.203 1.182 10 0 ADAERN CC(C)(C)OCn1cnc(CO)c1 308154233 572864089 /nfs/dbraw/zinc/86/40/89/572864089.db2.gz SISNUPGIAUKIJX-UHFFFAOYSA-N 0 0 184.239 1.148 10 0 ADAERN O=Cc1cc2ccc3cncc1n32 75558685 572864102 /nfs/dbraw/zinc/86/41/02/572864102.db2.gz OWCHCWBBJVVGOX-UHFFFAOYSA-N 0 0 170.171 1.738 10 0 ADAERN Cc1[nH]c(=O)[nH]c1-c1ccc(N)s1 257586263 572864119 /nfs/dbraw/zinc/86/41/19/572864119.db2.gz YQACOJNSDKLVSM-UHFFFAOYSA-N 0 0 195.247 1.322 10 0 ADAERN Cn1c(C=O)cc(N)c1N1CCCC1 75557136 572864120 /nfs/dbraw/zinc/86/41/20/572864120.db2.gz IOUAJEGKFCHRHN-UHFFFAOYSA-N 0 0 193.250 1.020 10 0 ADAERN C[C@@H](CO)c1ccc(O)cc1O 75555790 572864123 /nfs/dbraw/zinc/86/41/23/572864123.db2.gz VUBBDLFMYWSELG-LURJTMIESA-N 0 0 168.192 1.194 10 0 ADAERN CC(=O)c1ccc(N(C)C)n1C 75556968 572864172 /nfs/dbraw/zinc/86/41/72/572864172.db2.gz JVUPXEHMCUGUEN-UHFFFAOYSA-N 0 0 166.224 1.294 10 0 ADAERN CCCC(=O)CN1CCSC1=O 50184998 572864186 /nfs/dbraw/zinc/86/41/86/572864186.db2.gz BWCOWHONEIAMQR-UHFFFAOYSA-N 0 0 187.264 1.524 10 0 ADAERN Cc1oc(N)cc1-c1nc(N)cs1 257586201 572864187 /nfs/dbraw/zinc/86/41/87/572864187.db2.gz WBPNIQOJIRJZIH-UHFFFAOYSA-N 0 0 195.247 1.876 10 0 ADAERN CCCOCn1cccc1 118720228 572864203 /nfs/dbraw/zinc/86/42/03/572864203.db2.gz HTZOQNJRRFLEEK-UHFFFAOYSA-N 0 0 139.198 1.872 10 0 ADAERN CC1=C(Cl)C=C(Cl)[C@](C)(O)N1 71613859 572864222 /nfs/dbraw/zinc/86/42/22/572864222.db2.gz MBHPBDMHURWQOP-ZETCQYMHSA-N 0 0 194.061 1.891 10 0 ADAERN Cc1conc1-c1occc1N 257592495 572864228 /nfs/dbraw/zinc/86/42/28/572864228.db2.gz JRDDUSYQGRTTOW-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN CCCc1cnc(N)nc1OC 75555365 572864236 /nfs/dbraw/zinc/86/42/36/572864236.db2.gz HDAICJDGSKQUFA-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN C[NH2+][C@@H](c1ccoc1)C(C)(C)OC 86073956 572864244 /nfs/dbraw/zinc/86/42/44/572864244.db2.gz KJLDVVVYVVDKBG-VIFPVBQESA-N 0 0 183.251 1.965 10 0 ADAERN CC[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](C)C1 75561326 572864247 /nfs/dbraw/zinc/86/42/47/572864247.db2.gz UQZHAQOFRMGCEB-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1ncoc1-c1ccc(N)n1C 257589534 572864271 /nfs/dbraw/zinc/86/42/71/572864271.db2.gz FLCKZYZQJIXHJT-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN C[C@@H]1CCCCN1c1ccc(N)[nH]1 257589721 572864283 /nfs/dbraw/zinc/86/42/83/572864283.db2.gz QFGLGSAJTGZGAE-MRVPVSSYSA-N 0 0 179.267 1.976 10 0 ADAERN COC(C)(C)[C@@H](O)CC1CCC1 86072599 572864287 /nfs/dbraw/zinc/86/42/87/572864287.db2.gz FBFNUJVHEXZJTJ-VIFPVBQESA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cc(-c2occc2N)n[nH]1 257592533 572864294 /nfs/dbraw/zinc/86/42/94/572864294.db2.gz VJSIRTHEWLROQF-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CC[C@@H]1CC[C@H](C(=O)[O-])[N@H+](C)C1 75561322 572864306 /nfs/dbraw/zinc/86/43/06/572864306.db2.gz UQZHAQOFRMGCEB-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@H]1C=CCC1 75557775 572864311 /nfs/dbraw/zinc/86/43/11/572864311.db2.gz UDSHVWCNUIUEPP-YUMQZZPRSA-N 0 0 169.224 1.158 10 0 ADAERN CCCC(=O)COCC1CC1 50185204 572864323 /nfs/dbraw/zinc/86/43/23/572864323.db2.gz DQUWCIDAOHKFHA-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN Cc1coc(-c2occc2N)n1 257592511 572864326 /nfs/dbraw/zinc/86/43/26/572864326.db2.gz PMYBACMCRMRBNE-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN COC[C@@H](ON)c1ccccc1 75555336 572864329 /nfs/dbraw/zinc/86/43/29/572864329.db2.gz IHPJCUUPUIUDMI-SECBINFHSA-N 0 0 167.208 1.264 10 0 ADAERN CC[C@H]1CC[C@@H](C(=O)[O-])[N@H+](C)C1 75561327 572864341 /nfs/dbraw/zinc/86/43/41/572864341.db2.gz UQZHAQOFRMGCEB-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CCC(=O)CO[C@H](C)CC 50181530 572864352 /nfs/dbraw/zinc/86/43/52/572864352.db2.gz WMHPIVYNRNOTSS-SSDOTTSWSA-N 0 0 144.214 1.781 10 0 ADAERN Cc1cccc2c1NC(=O)[C@H](C)N2C 235371983 572864354 /nfs/dbraw/zinc/86/43/54/572864354.db2.gz RCPAQCNZCMESOW-QMMMGPOBSA-N 0 0 190.246 1.772 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+][C@@H]1C=CCC1 75557784 572864385 /nfs/dbraw/zinc/86/43/85/572864385.db2.gz UDSHVWCNUIUEPP-HTQZYQBOSA-N 0 0 169.224 1.158 10 0 ADAERN Cc1cc(-c2coc(N)c2)nn1C 257589732 572864515 /nfs/dbraw/zinc/86/45/15/572864515.db2.gz SLGMHFFTNCARLB-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN CCn1cc(C(=O)C(C)(C)OC)cn1 86071614 572864529 /nfs/dbraw/zinc/86/45/29/572864529.db2.gz WKZZVFLJXYZGAV-UHFFFAOYSA-N 0 0 196.250 1.511 10 0 ADAERN CC1=C(Cl)C=C(Cl)[C@@](C)(O)N1 71613856 572864540 /nfs/dbraw/zinc/86/45/40/572864540.db2.gz MBHPBDMHURWQOP-SSDOTTSWSA-N 0 0 194.061 1.891 10 0 ADAERN Cn1c(N)ccc1-c1cnco1 257592535 572864545 /nfs/dbraw/zinc/86/45/45/572864545.db2.gz WFAUNDVTEKICRM-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN NC(=O)OCCC(=O)c1ccccc1 238604098 572864549 /nfs/dbraw/zinc/86/45/49/572864549.db2.gz YETHDTHCTHNFPP-UHFFFAOYSA-N 0 0 193.202 1.355 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H]1C=CCC1 75557779 572864557 /nfs/dbraw/zinc/86/45/57/572864557.db2.gz UDSHVWCNUIUEPP-JGVFFNPUSA-N 0 0 169.224 1.158 10 0 ADAERN Cn1c(C=O)cnc1N1CCCCC1 75561289 572864579 /nfs/dbraw/zinc/86/45/79/572864579.db2.gz QMDMYTZHHSWDKC-UHFFFAOYSA-N 0 0 193.250 1.223 10 0 ADAERN Cc1cnc(-c2coc(N)c2)o1 257592496 572864618 /nfs/dbraw/zinc/86/46/18/572864618.db2.gz JRXQDTYBCOHRAB-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Nc1ccc(C2CCOCC2)[nH]1 257589746 572864651 /nfs/dbraw/zinc/86/46/51/572864651.db2.gz ULTHRELDLLAIBM-UHFFFAOYSA-N 0 0 166.224 1.491 10 0 ADAERN CC(C)C(=O)c1[nH]c(N)cc1N(C)C 75555279 572864652 /nfs/dbraw/zinc/86/46/52/572864652.db2.gz XECIXBNFMUEKSZ-UHFFFAOYSA-N 0 0 195.266 1.502 10 0 ADAERN O=C1c2ccccc2-c2ccc(=O)[nH]c21 238604086 572864656 /nfs/dbraw/zinc/86/46/56/572864656.db2.gz YWZKFDKMKKEVKT-UHFFFAOYSA-N 0 0 197.193 1.586 10 0 ADAERN Cc1oc(N)cc1-c1csc(N)n1 257586202 572864671 /nfs/dbraw/zinc/86/46/71/572864671.db2.gz WEFUOLFCYBXKIQ-UHFFFAOYSA-N 0 0 195.247 1.876 10 0 ADAERN CCN(CC)c1c(N)cc(C=O)n1C 75557148 572864677 /nfs/dbraw/zinc/86/46/77/572864677.db2.gz HIPRIVMXZRDRTB-UHFFFAOYSA-N 0 0 195.266 1.266 10 0 ADAERN C[NH2+][C@@H](c1cncnc1)C(C)(C)OC 86073604 572864687 /nfs/dbraw/zinc/86/46/87/572864687.db2.gz OSZOZSSFPVFJMW-VIFPVBQESA-N 0 0 195.266 1.162 10 0 ADAERN Cc1n[nH]cc1-c1occc1N 257592516 572864692 /nfs/dbraw/zinc/86/46/92/572864692.db2.gz QOEAQUIYFAQXCN-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Nc1scc2c1OCCCO2 257589541 572864709 /nfs/dbraw/zinc/86/47/09/572864709.db2.gz GVAWSVJOAAXTET-UHFFFAOYSA-N 0 0 171.221 1.492 10 0 ADAERN Cc1c[nH]nc1-c1ccc(N)n1C 257589503 572864726 /nfs/dbraw/zinc/86/47/26/572864726.db2.gz BLAWOJMLCFHIMN-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN CCCC[C@@H](O)C(C)(C)OC 86072194 572864728 /nfs/dbraw/zinc/86/47/28/572864728.db2.gz HABFMUZPOPBXOS-MRVPVSSYSA-N 0 0 160.257 1.963 10 0 ADAERN CCCC(=O)COC(C)C 50185166 572864738 /nfs/dbraw/zinc/86/47/38/572864738.db2.gz BSLOYFUQCGKSAY-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN Cc1n[nH]cc1-c1ccc(N)n1C 257589567 572864744 /nfs/dbraw/zinc/86/47/44/572864744.db2.gz LBFXTPPPADINIC-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN COC(C)(C)[C@H](O)CCC1CC1 86072536 572864752 /nfs/dbraw/zinc/86/47/52/572864752.db2.gz IWKWPBRIKCAFSO-SECBINFHSA-N 0 0 172.268 1.963 10 0 ADAERN COC[C@@H](O)c1ccc(O)cc1 75555757 572864772 /nfs/dbraw/zinc/86/47/72/572864772.db2.gz PETGYPBYTINWKW-SECBINFHSA-N 0 0 168.192 1.072 10 0 ADAERN CC[C@H](O)CO[C@@H](C)CC 50182229 572864774 /nfs/dbraw/zinc/86/47/74/572864774.db2.gz CQRPIUIBIMIXQN-YUMQZZPRSA-N 0 0 146.230 1.572 10 0 ADAERN CCC(=O)COC(C)(C)C 50181428 572864782 /nfs/dbraw/zinc/86/47/82/572864782.db2.gz RZBFUGKWUZYMLI-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN CCn1cc([C@@H](O)C(C)(C)OC)cn1 86072257 572864807 /nfs/dbraw/zinc/86/48/07/572864807.db2.gz DPQBQNXGJUCYLL-SECBINFHSA-N 0 0 198.266 1.361 10 0 ADAERN Cn1c(N)ccc1-c1cncs1 257589749 572864809 /nfs/dbraw/zinc/86/48/09/572864809.db2.gz UOEZWYSLDSWEMW-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN CCN(CC)c1ncc(C=O)n1C 75561297 572864814 /nfs/dbraw/zinc/86/48/14/572864814.db2.gz BDIVYHLHZIZKIJ-UHFFFAOYSA-N 0 0 181.239 1.079 10 0 ADAERN C[NH2+][C@@H](c1cnccn1)C(C)(C)OC 86073624 572864821 /nfs/dbraw/zinc/86/48/21/572864821.db2.gz GAUOSOBCVMLFJT-VIFPVBQESA-N 0 0 195.266 1.162 10 0 ADAERN COC[C@H](O)c1ccc(O)cc1 75555753 572864831 /nfs/dbraw/zinc/86/48/31/572864831.db2.gz PETGYPBYTINWKW-VIFPVBQESA-N 0 0 168.192 1.072 10 0 ADAERN CC1=NC(=O)N(Cc2ccco2)C1N 257586223 572864839 /nfs/dbraw/zinc/86/48/39/572864839.db2.gz XKERCVKQHFOQCA-UHFFFAOYSA-N 0 0 193.206 1.121 10 0 ADAERN CC[C@H](O)COCc1ccccc1 50182153 572864848 /nfs/dbraw/zinc/86/48/48/572864848.db2.gz ZBNXMTHJYVSJGZ-NSHDSACASA-N 0 0 180.247 1.974 10 0 ADAERN Nc1cc(=O)n(-c2cccs2)[nH]1 257589560 572864853 /nfs/dbraw/zinc/86/48/53/572864853.db2.gz KFJMICRMMPEGLT-UHFFFAOYSA-N 0 0 181.220 1.222 10 0 ADAERN CCN(CC)c1cc(C=O)n(C)c1 75557086 572864875 /nfs/dbraw/zinc/86/48/75/572864875.db2.gz RXAVXBLIUSGAOA-UHFFFAOYSA-N 0 0 180.251 1.684 10 0 ADAERN COC(C)(C)C(=O)Cc1ccncc1 86071669 572864886 /nfs/dbraw/zinc/86/48/86/572864886.db2.gz TVDVUDXKNUQXSZ-UHFFFAOYSA-N 0 0 193.246 1.618 10 0 ADAERN C[NH2+][C@@H](c1ccco1)C(C)(C)OC 86073789 572864910 /nfs/dbraw/zinc/86/49/10/572864910.db2.gz WXVHVHHFMVBDHH-VIFPVBQESA-N 0 0 183.251 1.965 10 0 ADAERN CCn1ccnc1[C@H](O)C(C)(C)OC 86072258 572864916 /nfs/dbraw/zinc/86/49/16/572864916.db2.gz VDVRQAQMCODEQI-QMMMGPOBSA-N 0 0 198.266 1.361 10 0 ADAERN CCn1nccc1C(=O)C(C)(C)OC 86071622 572864920 /nfs/dbraw/zinc/86/49/20/572864920.db2.gz ROSGCWQMIMARMA-UHFFFAOYSA-N 0 0 196.250 1.511 10 0 ADAERN Cc1cc(-c2ccc(N)n2C)no1 257589744 572864922 /nfs/dbraw/zinc/86/49/22/572864922.db2.gz UJYOSFACMGDIGP-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN Cc1cn(C)nc1-c1occc1N 257589522 572864964 /nfs/dbraw/zinc/86/49/64/572864964.db2.gz DLARHBNFCXTCFK-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN C[C@H]1COc2sc(N)cc21 257592525 572864983 /nfs/dbraw/zinc/86/49/83/572864983.db2.gz TYACTDJSOZUAAT-BYPYZUCNSA-N 0 0 155.222 1.826 10 0 ADAERN Cc1c[nH]nc1-c1occc1N 257592478 572865002 /nfs/dbraw/zinc/86/50/02/572865002.db2.gz CBZNJGOQBUWOEG-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CCC(=O)c1c(N(C)C)cc(N)n1C 75560107 572865011 /nfs/dbraw/zinc/86/50/11/572865011.db2.gz DNOKWWRCPKEWGA-UHFFFAOYSA-N 0 0 195.266 1.266 10 0 ADAERN Cn1c(N)ccc1-c1ncco1 257592490 572865024 /nfs/dbraw/zinc/86/50/24/572865024.db2.gz JBCVAKYHEMGFMH-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CCC(=O)c1[nH]c(N)cc1N(C)C 75555275 572865029 /nfs/dbraw/zinc/86/50/29/572865029.db2.gz SHQGHARJHONJQZ-UHFFFAOYSA-N 0 0 181.239 1.256 10 0 ADAERN CCn1nccc1[C@@H](O)C(C)(C)OC 86072162 572865035 /nfs/dbraw/zinc/86/50/35/572865035.db2.gz YGGWQGMDUSBANK-SECBINFHSA-N 0 0 198.266 1.361 10 0 ADAERN COC(C)(C)[C@H](O)Cc1ccccn1 86072144 572865037 /nfs/dbraw/zinc/86/50/37/572865037.db2.gz SSYNOUKYEBENRW-SNVBAGLBSA-N 0 0 195.262 1.410 10 0 ADAERN CC[C@H](O)COC(C)C 50182182 572865047 /nfs/dbraw/zinc/86/50/47/572865047.db2.gz LHVVHKMPOOYTEZ-ZETCQYMHSA-N 0 0 132.203 1.182 10 0 ADAERN CC[C@H]1CC[C@H](C(=O)[O-])[N@H+](C)C1 75561323 572865108 /nfs/dbraw/zinc/86/51/08/572865108.db2.gz UQZHAQOFRMGCEB-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN CN(C=O)c1cc(N)ccc1F 75555737 572865112 /nfs/dbraw/zinc/86/51/12/572865112.db2.gz APBKKPQIGSESEC-UHFFFAOYSA-N 0 0 168.171 1.001 10 0 ADAERN CC[C@@H](O)CO[C@H](C)CC 50182226 572865115 /nfs/dbraw/zinc/86/51/15/572865115.db2.gz CQRPIUIBIMIXQN-HTQZYQBOSA-N 0 0 146.230 1.572 10 0 ADAERN CCC[C@@H](C)NC(=O)[C@@H](O)CC 307965711 572865120 /nfs/dbraw/zinc/86/51/20/572865120.db2.gz BTYWWKQTGUEUSY-SFYZADRCSA-N 0 0 173.256 1.062 10 0 ADAERN C[NH2+][C@H](c1ccco1)C(C)(C)OC 86073787 572865142 /nfs/dbraw/zinc/86/51/42/572865142.db2.gz WXVHVHHFMVBDHH-SECBINFHSA-N 0 0 183.251 1.965 10 0 ADAERN Nc1cc(N2CCCCC2)c(C=O)[nH]1 75555014 572865150 /nfs/dbraw/zinc/86/51/50/572865150.db2.gz CFLNCDBUMBUOIT-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN CCC(=O)COCC1CC1 50181175 572865153 /nfs/dbraw/zinc/86/51/53/572865153.db2.gz PXFMFTCATCCJMS-UHFFFAOYSA-N 0 0 142.198 1.392 10 0 ADAERN CC[C@@H](O)COC1CCCC1 50182152 572865168 /nfs/dbraw/zinc/86/51/68/572865168.db2.gz CZSGSKBIVZTTQS-MRVPVSSYSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+][C@H]1C=CCC1 75557776 572865249 /nfs/dbraw/zinc/86/52/49/572865249.db2.gz UDSHVWCNUIUEPP-SFYZADRCSA-N 0 0 169.224 1.158 10 0 ADAERN C[NH2+][C@H](c1cccnc1)C(C)(C)OC 86073803 572865263 /nfs/dbraw/zinc/86/52/63/572865263.db2.gz CDJOPXXJGFEVNO-SNVBAGLBSA-N 0 0 194.278 1.767 10 0 ADAERN C[NH2+][C@@H](c1cccnc1)C(C)(C)OC 86073804 572865303 /nfs/dbraw/zinc/86/53/03/572865303.db2.gz CDJOPXXJGFEVNO-JTQLQIEISA-N 0 0 194.278 1.767 10 0 ADAERN CC(=O)c1cc(N(C)C)cn1C 75557036 572865321 /nfs/dbraw/zinc/86/53/21/572865321.db2.gz SSDVVYFUGQWCEV-UHFFFAOYSA-N 0 0 166.224 1.294 10 0 ADAERN COC(C)(C)C(=O)Cc1ccccn1 86071830 572865334 /nfs/dbraw/zinc/86/53/34/572865334.db2.gz ZYKHUIKXADDIGG-UHFFFAOYSA-N 0 0 193.246 1.618 10 0 ADAERN C[C@@H]1N=C(c2ccsc2)NC1=O 235374857 572865335 /nfs/dbraw/zinc/86/53/35/572865335.db2.gz GJUDFAGBONNDBG-YFKPBYRVSA-N 0 0 180.232 1.013 10 0 ADAERN CCCCCC(=O)C[S@@](C)=O 118713874 572865408 /nfs/dbraw/zinc/86/54/08/572865408.db2.gz LCAUOLWVIJUNBB-NSHDSACASA-N 0 0 176.281 1.514 10 0 ADAERN CCC(=O)CO[C@@H](C)CC 50181531 572865358 /nfs/dbraw/zinc/86/53/58/572865358.db2.gz WMHPIVYNRNOTSS-ZETCQYMHSA-N 0 0 144.214 1.781 10 0 ADAERN CCN(CC)c1cc(C=O)c(N)n1C 75557337 572865361 /nfs/dbraw/zinc/86/53/61/572865361.db2.gz MLGZCWGYUPKGRL-UHFFFAOYSA-N 0 0 195.266 1.266 10 0 ADAERN C[NH2+][C@H](c1ccoc1)C(C)(C)OC 86073955 572865404 /nfs/dbraw/zinc/86/54/04/572865404.db2.gz KJLDVVVYVVDKBG-SECBINFHSA-N 0 0 183.251 1.965 10 0 ADAERN CCC(=O)c1cc(N)n(C)c1N(C)C 75557570 572865413 /nfs/dbraw/zinc/86/54/13/572865413.db2.gz KFWIGUKFBRVKHE-UHFFFAOYSA-N 0 0 195.266 1.266 10 0 ADAERN C[C@@](O)(C[C@H]1CCOC1)c1ccc[nH]1 689770220 572865414 /nfs/dbraw/zinc/86/54/14/572865414.db2.gz XIEYEMMENVPQOT-MWLCHTKSSA-N 0 0 195.262 1.649 10 0 ADAERN CCC(=C[C@@H](N)C(=O)OC)CC 75561305 572865420 /nfs/dbraw/zinc/86/54/20/572865420.db2.gz YUDKNMJUGJJQGG-MRVPVSSYSA-N 0 0 171.240 1.233 10 0 ADAERN C[C@](O)(C[C@H]1CCOC1)C1=COCC1 689770271 572865431 /nfs/dbraw/zinc/86/54/31/572865431.db2.gz XIINXFNUINDTLT-KOLCDFICSA-N 0 0 198.262 1.468 10 0 ADAERN CC(C)(O)CN[C@@H](C(F)F)C1CC1 308154147 572865440 /nfs/dbraw/zinc/86/54/40/572865440.db2.gz QDDWFTNYLJDEIO-SSDOTTSWSA-N 0 0 193.237 1.391 10 0 ADAERN CCC[C@H](C)NC(=O)[C@H](O)CC 307965710 572865451 /nfs/dbraw/zinc/86/54/51/572865451.db2.gz BTYWWKQTGUEUSY-JGVFFNPUSA-N 0 0 173.256 1.062 10 0 ADAERN CC/C=C(\C)C(=O)N1CCSC1 307964793 572865471 /nfs/dbraw/zinc/86/54/71/572865471.db2.gz BIHOHOUILPQYIY-XBXARRHUSA-N 0 0 185.292 1.876 10 0 ADAERN CO[C@H](C)[C@@H](O)CC1(C)CCC1 307964825 572865489 /nfs/dbraw/zinc/86/54/89/572865489.db2.gz QBOFTEOTBOJNFA-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN COC(C)(C)[C@@H](O)CCC1CC1 86072537 572865490 /nfs/dbraw/zinc/86/54/90/572865490.db2.gz IWKWPBRIKCAFSO-VIFPVBQESA-N 0 0 172.268 1.963 10 0 ADAERN CCC(=O)COC(C)C 50181138 572865588 /nfs/dbraw/zinc/86/55/88/572865588.db2.gz KZDVWZHZLBPULQ-UHFFFAOYSA-N 0 0 130.187 1.391 10 0 ADAERN CCCC(=O)COCC 50185222 572865517 /nfs/dbraw/zinc/86/55/17/572865517.db2.gz OLMJXRGQEIXPSE-UHFFFAOYSA-N 0 0 130.187 1.392 10 0 ADAERN C[NH2+][C@H](c1ccnn1C)C(C)(C)OC 86073853 572865529 /nfs/dbraw/zinc/86/55/29/572865529.db2.gz JAWPLDBOYTXUBJ-SECBINFHSA-N 0 0 197.282 1.106 10 0 ADAERN CCCC(=O)Cn1cccn1 50184641 572865535 /nfs/dbraw/zinc/86/55/35/572865535.db2.gz HXGUXLFDNIEBLN-UHFFFAOYSA-N 0 0 152.197 1.252 10 0 ADAERN CCn1cc([C@@H]([NH3+])C(C)(C)OC)cn1 86073333 572865545 /nfs/dbraw/zinc/86/55/45/572865545.db2.gz WEKKMZQHTUJTIO-SECBINFHSA-N 0 0 197.282 1.328 10 0 ADAERN CCCN(C)C(=O)c1ccno1 307965487 572865627 /nfs/dbraw/zinc/86/56/27/572865627.db2.gz BMZMHRKUDOKRFT-UHFFFAOYSA-N 0 0 168.196 1.157 10 0 ADAERN C[NH2+][C@H](c1cncnc1)C(C)(C)OC 86073603 572865610 /nfs/dbraw/zinc/86/56/10/572865610.db2.gz OSZOZSSFPVFJMW-SECBINFHSA-N 0 0 195.266 1.162 10 0 ADAERN CCCOCC(=O)O[C@H](C)CC 307964734 572865683 /nfs/dbraw/zinc/86/56/83/572865683.db2.gz BGHGWCJSYGIYOT-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN CC(C)C[N@@H+]1C[C@H](C(=O)[O-])C2(CC2)C1 714578377 572865692 /nfs/dbraw/zinc/86/56/92/572865692.db2.gz LUPZDECBOKVCFJ-SECBINFHSA-N 0 0 197.278 1.439 10 0 ADAERN CCCC(=O)CSC 50186112 572865693 /nfs/dbraw/zinc/86/56/93/572865693.db2.gz HFKKAQHKEDSKFT-UHFFFAOYSA-N 0 0 132.228 1.719 10 0 ADAERN CCn1cc([C@H](O)C(C)(C)OC)cn1 86072256 572865696 /nfs/dbraw/zinc/86/56/96/572865696.db2.gz DPQBQNXGJUCYLL-VIFPVBQESA-N 0 0 198.266 1.361 10 0 ADAERN CCCOCC(=O)O[C@@H](C)CC 307964735 572865805 /nfs/dbraw/zinc/86/58/05/572865805.db2.gz BGHGWCJSYGIYOT-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN CC[C@@H](C)OCC(=O)OC1CC1 307965412 572865811 /nfs/dbraw/zinc/86/58/11/572865811.db2.gz BKPRBRHLQVQYRU-SSDOTTSWSA-N 0 0 172.224 1.507 10 0 ADAERN CC(=O)OC(C)(C)/C=C(/C)[C@@H](C)O 308155263 572865836 /nfs/dbraw/zinc/86/58/36/572865836.db2.gz OYRKOTKSKGLAIB-NFXKFNAJSA-N 0 0 186.251 1.655 10 0 ADAERN O[C@H](CCCCF)C1(O)CCCC1 308154801 572865883 /nfs/dbraw/zinc/86/58/83/572865883.db2.gz SUCRVDVUVRLYKQ-SECBINFHSA-N 0 0 190.258 1.792 10 0 ADAERN CCCC(=O)CSCCO 50185944 572865870 /nfs/dbraw/zinc/86/58/70/572865870.db2.gz LDSCTRRMGFKQNH-UHFFFAOYSA-N 0 0 162.254 1.081 10 0 ADAERN COC(C)(C)[C@@H](O)Cc1ccccn1 86072146 572865881 /nfs/dbraw/zinc/86/58/81/572865881.db2.gz SSYNOUKYEBENRW-JTQLQIEISA-N 0 0 195.262 1.410 10 0 ADAERN C[C@@H]1CCCCCN1C(=O)C(C)(C)O 235377806 572865889 /nfs/dbraw/zinc/86/58/89/572865889.db2.gz FTIJXDPTWDWDEX-SECBINFHSA-N 0 0 199.294 1.548 10 0 ADAERN COC(C)(C)[C@@H](O)Cc1ccncc1 86071976 572865907 /nfs/dbraw/zinc/86/59/07/572865907.db2.gz ZVQNRRJIAQSXGE-JTQLQIEISA-N 0 0 195.262 1.410 10 0 ADAERN CC(C)C[NH2+][C@]1(C(=O)[O-])CC[C@H]1C 308155187 572865959 /nfs/dbraw/zinc/86/59/59/572865959.db2.gz SZLNKVONEVXKGR-PSASIEDQSA-N 0 0 185.267 1.485 10 0 ADAERN CCn1nccc1[C@H]([NH3+])C(C)(C)OC 86072788 572866066 /nfs/dbraw/zinc/86/60/66/572866066.db2.gz REKQAACPVNQXCF-VIFPVBQESA-N 0 0 197.282 1.328 10 0 ADAERN C[S@](N)(=O)=N[C@H]1CC12CCCC2 404719480 572866068 /nfs/dbraw/zinc/86/60/68/572866068.db2.gz MANQQQRCUUGNGP-JVXZTZIISA-N 0 0 188.296 1.291 10 0 ADAERN C[C@](O)(C[C@@H]1CCOC1)c1ccc[nH]1 689770247 572866075 /nfs/dbraw/zinc/86/60/75/572866075.db2.gz XIEYEMMENVPQOT-ONGXEEELSA-N 0 0 195.262 1.649 10 0 ADAERN CON(C)C(=O)CSC(C)(C)C 307965495 572866077 /nfs/dbraw/zinc/86/60/77/572866077.db2.gz BNGGMOLWLFSWKL-UHFFFAOYSA-N 0 0 191.296 1.538 10 0 ADAERN CCC(=O)C[NH+]1CCCCCC1 50179682 572866087 /nfs/dbraw/zinc/86/60/87/572866087.db2.gz ZFTMLHXPHOZECL-UHFFFAOYSA-N 0 0 169.268 1.842 10 0 ADAERN CCOC(=O)/C=C/C=C(/C)COC 308154711 572866125 /nfs/dbraw/zinc/86/61/25/572866125.db2.gz OXTMVSDZSMBIFD-BEDCHXNXSA-N 0 0 184.235 1.698 10 0 ADAERN CCn1ccnc1[C@@H]([NH3+])C(C)(C)OC 86072888 572866150 /nfs/dbraw/zinc/86/61/50/572866150.db2.gz DORHFNWGVAHMEG-MRVPVSSYSA-N 0 0 197.282 1.328 10 0 ADAERN Cc1nc(N2CCCC2)ncc1O 75569398 572866929 /nfs/dbraw/zinc/86/69/29/572866929.db2.gz CSYVFJSPLDNDCU-UHFFFAOYSA-N 0 0 179.223 1.091 10 0 ADAERN C[NH2+][C@@H](c1ccnn1C)C(C)(C)OC 86073855 572866187 /nfs/dbraw/zinc/86/61/87/572866187.db2.gz JAWPLDBOYTXUBJ-VIFPVBQESA-N 0 0 197.282 1.106 10 0 ADAERN C[C@@H]1C[C@H](n2cncc2CO)CCO1 235372727 572866219 /nfs/dbraw/zinc/86/62/19/572866219.db2.gz IYYDUUCOQVJGGH-RKDXNWHRSA-N 0 0 196.250 1.115 10 0 ADAERN CC[C@@H](O)COCC1CC1 50182223 572866246 /nfs/dbraw/zinc/86/62/46/572866246.db2.gz CYAWCSAYZAMCKQ-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN C[NH2+][C@@H](c1nccn1C)C(C)(C)OC 86073728 572866247 /nfs/dbraw/zinc/86/62/47/572866247.db2.gz YSDZDFFGLREQIQ-QMMMGPOBSA-N 0 0 197.282 1.106 10 0 ADAERN CCn1cc([C@H]([NH3+])C(C)(C)OC)cn1 86073330 572866251 /nfs/dbraw/zinc/86/62/51/572866251.db2.gz WEKKMZQHTUJTIO-VIFPVBQESA-N 0 0 197.282 1.328 10 0 ADAERN C[C@@H]1CCC[C@@H](N2CCNC2=O)CC1 235381513 572866280 /nfs/dbraw/zinc/86/62/80/572866280.db2.gz HYIBLESJXIXLJI-NXEZZACHSA-N 0 0 196.294 1.980 10 0 ADAERN COC(C)(C)[C@H](O)Cc1ccncc1 86071974 572866288 /nfs/dbraw/zinc/86/62/88/572866288.db2.gz ZVQNRRJIAQSXGE-SNVBAGLBSA-N 0 0 195.262 1.410 10 0 ADAERN CCn1nccc1[C@@H]([NH3+])C(C)(C)OC 86072791 572866300 /nfs/dbraw/zinc/86/63/00/572866300.db2.gz REKQAACPVNQXCF-SECBINFHSA-N 0 0 197.282 1.328 10 0 ADAERN CO[C@@H](C)[C@H](O)CC1(C)CCC1 307964826 572866301 /nfs/dbraw/zinc/86/63/01/572866301.db2.gz QBOFTEOTBOJNFA-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN C/C=C\[C@@H](O)CCC1OCCCO1 308154652 572866304 /nfs/dbraw/zinc/86/63/04/572866304.db2.gz OFEFOUKHFGQIIV-FIFYQCSRSA-N 0 0 186.251 1.467 10 0 ADAERN COC(C)(C)[C@H](O)CC1CCC1 86072598 572866323 /nfs/dbraw/zinc/86/63/23/572866323.db2.gz FBFNUJVHEXZJTJ-SECBINFHSA-N 0 0 172.268 1.963 10 0 ADAERN CCC(=O)COC1CCCC1 50181187 572866328 /nfs/dbraw/zinc/86/63/28/572866328.db2.gz KYGKGAZPYWHRHE-UHFFFAOYSA-N 0 0 156.225 1.925 10 0 ADAERN C[C@@H]1C[C@@H]2CCC[C@H]2C(=O)O1 256069397 572867165 /nfs/dbraw/zinc/86/71/65/572867165.db2.gz MRXNOBDBXXVMTR-GJMOJQLCSA-N 0 0 154.209 1.738 10 0 ADAERN CCCCNC(=O)C1=COCC1 307964750 572866397 /nfs/dbraw/zinc/86/63/97/572866397.db2.gz BHGOETVHDODATM-UHFFFAOYSA-N 0 0 169.224 1.207 10 0 ADAERN O=C([O-])c1ccc[n+]2ccccc12 71777552 572866405 /nfs/dbraw/zinc/86/64/05/572866405.db2.gz QCDJHMAEWCDPOH-UHFFFAOYSA-O 0 0 174.179 1.124 10 0 ADAERN CO[C@@H](C)[C@@H](O)CC1(C)CCC1 307964827 572866408 /nfs/dbraw/zinc/86/64/08/572866408.db2.gz QBOFTEOTBOJNFA-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN COCOC(=O)c1ccoc1C 307965439 572866429 /nfs/dbraw/zinc/86/64/29/572866429.db2.gz BLHNTLHBPBONNS-UHFFFAOYSA-N 0 0 170.164 1.349 10 0 ADAERN CCC1([C@H](NN)[C@@H]2CCOC2)CC1 308155194 572866431 /nfs/dbraw/zinc/86/64/31/572866431.db2.gz SZNDGNMGEZFMMF-RKDXNWHRSA-N 0 0 184.283 1.045 10 0 ADAERN [NH3+][C@@H](/C=C\c1ccco1)CC(=O)[O-] 211505954 572866440 /nfs/dbraw/zinc/86/64/40/572866440.db2.gz MJHUUCJPCOPLTB-AVALRIAPSA-N 0 0 181.191 1.095 10 0 ADAERN C[C@@]([NH3+])(CCCC(F)(F)F)C(=O)[O-] 71792950 572866444 /nfs/dbraw/zinc/86/64/44/572866444.db2.gz UYANUJKILWWKMF-ZCFIWIBFSA-N 0 0 199.172 1.521 10 0 ADAERN CCCC(=O)Nc1ccc(N)c(C)n1 71742262 572866468 /nfs/dbraw/zinc/86/64/68/572866468.db2.gz DAQDSUGBCHOMSJ-UHFFFAOYSA-N 0 0 193.250 1.711 10 0 ADAERN Cc1ccc(O)c(-n2cccc2)n1 75564487 572866475 /nfs/dbraw/zinc/86/64/75/572866475.db2.gz NSMNQPXTNNAXKF-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CO[C@H](C)[C@H](O)CC1(C)CCC1 307964828 572866476 /nfs/dbraw/zinc/86/64/76/572866476.db2.gz QBOFTEOTBOJNFA-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)(C)/C=C\C(=O)NCCF 307964790 572866490 /nfs/dbraw/zinc/86/64/90/572866490.db2.gz PZPACYBDVOYBHD-PLNGDYQASA-N 0 0 173.231 1.674 10 0 ADAERN CC(C)=CC[NH2+]C/C(C)=C\C(=O)[O-] 308155293 572866495 /nfs/dbraw/zinc/86/64/95/572866495.db2.gz PFLOKRMQBXTAEN-TWGQIWQCSA-N 0 0 183.251 1.573 10 0 ADAERN NN1CCS[C@H]2CCCC[C@@H]21 75563051 572867273 /nfs/dbraw/zinc/86/72/73/572867273.db2.gz BQCRFKMDXWYTMW-YUMQZZPRSA-N 0 0 172.297 1.220 10 0 ADAERN CC[C@H](C)OCC(=O)OC1CC1 307965414 572866603 /nfs/dbraw/zinc/86/66/03/572866603.db2.gz BKPRBRHLQVQYRU-ZETCQYMHSA-N 0 0 172.224 1.507 10 0 ADAERN CC(=O)OCc1ccccc1C=O 75568287 572866628 /nfs/dbraw/zinc/86/66/28/572866628.db2.gz WERBISAVGAZGTQ-UHFFFAOYSA-N 0 0 178.187 1.562 10 0 ADAERN CCC[C@H](O)c1cnccc1OC 308155156 572867357 /nfs/dbraw/zinc/86/73/57/572867357.db2.gz SXTABGGZWWRGNF-VIFPVBQESA-N 0 0 181.235 1.924 10 0 ADAERN CCC[C@@H](C)NC(=O)[C@H](O)CC 307965709 572866648 /nfs/dbraw/zinc/86/66/48/572866648.db2.gz BTYWWKQTGUEUSY-HTQZYQBOSA-N 0 0 173.256 1.062 10 0 ADAERN CCSC[C@H](NN)c1ccc[nH]1 307965307 572866690 /nfs/dbraw/zinc/86/66/90/572866690.db2.gz QHFPVUNAMINOHL-QMMMGPOBSA-N 0 0 185.296 1.272 10 0 ADAERN CC(C)SCCn1ccnc1C=O 308155154 572866859 /nfs/dbraw/zinc/86/68/59/572866859.db2.gz SXOZIWYWSCCBDR-UHFFFAOYSA-N 0 0 198.291 1.837 10 0 ADAERN CC(=O)CCNc1ccccc1N 75568606 572866867 /nfs/dbraw/zinc/86/68/67/572866867.db2.gz ZEYAXYDUALPOKE-UHFFFAOYSA-N 0 0 178.235 1.660 10 0 ADAERN O[C@@H](CCCCF)c1cncnc1 308154744 572866891 /nfs/dbraw/zinc/86/68/91/572866891.db2.gz SPLVZVYUZMSEHT-VIFPVBQESA-N 0 0 184.214 1.650 10 0 ADAERN CCC[C@H](C)NC(=O)[C@@H](O)CC 307965712 572866905 /nfs/dbraw/zinc/86/69/05/572866905.db2.gz BTYWWKQTGUEUSY-YUMQZZPRSA-N 0 0 173.256 1.062 10 0 ADAERN C[C@@H]1C[C@@H](C)N(C(=O)C(C)(C)O)C1 235376165 572866906 /nfs/dbraw/zinc/86/69/06/572866906.db2.gz LSTGSFVMILDNOM-HTQZYQBOSA-N 0 0 185.267 1.014 10 0 ADAERN C[C@@H]1C[C@H]2CCC[C@H]2C(=O)O1 256069396 572866914 /nfs/dbraw/zinc/86/69/14/572866914.db2.gz MRXNOBDBXXVMTR-BWZBUEFSSA-N 0 0 154.209 1.738 10 0 ADAERN O[C@H](CCCCF)c1cncnc1 308154743 572866918 /nfs/dbraw/zinc/86/69/18/572866918.db2.gz SPLVZVYUZMSEHT-SECBINFHSA-N 0 0 184.214 1.650 10 0 ADAERN CCC[C@@H](O)c1cnccc1OC 308155155 572866930 /nfs/dbraw/zinc/86/69/30/572866930.db2.gz SXTABGGZWWRGNF-SECBINFHSA-N 0 0 181.235 1.924 10 0 ADAERN CSC1=NCCN1c1ccccn1 71781843 572866959 /nfs/dbraw/zinc/86/69/59/572866959.db2.gz JRNVICOGOBVKSH-UHFFFAOYSA-N 0 0 193.275 1.621 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H]1CC[C@@H]1C 308154718 572866966 /nfs/dbraw/zinc/86/69/66/572866966.db2.gz SNRFKGAFWUJFHX-KSOOHAFHSA-N 0 0 183.251 1.405 10 0 ADAERN O=Cc1nc2ccccc2c(=O)o1 75565035 572866976 /nfs/dbraw/zinc/86/69/76/572866976.db2.gz SADYIEQKJJIOMT-UHFFFAOYSA-N 0 0 175.143 1.001 10 0 ADAERN NN1CCS[C@@H]2CCCC[C@@H]21 75563048 572866988 /nfs/dbraw/zinc/86/69/88/572866988.db2.gz BQCRFKMDXWYTMW-JGVFFNPUSA-N 0 0 172.297 1.220 10 0 ADAERN COC(=O)C=CN[C@@H]1CCC1(C)C 308154799 572867015 /nfs/dbraw/zinc/86/70/15/572867015.db2.gz STZRBEPNAIQAMX-GRKOMRHMSA-N 0 0 183.251 1.451 10 0 ADAERN C[C@@](O)(c1cccnc1)c1ccco1 235374594 572867033 /nfs/dbraw/zinc/86/70/33/572867033.db2.gz RISIUWQRYQNMKI-LLVKDONJSA-N 0 0 189.214 1.930 10 0 ADAERN C[S@@](N)(=O)=N[C@@H]1CC12CCCC2 404719482 572867051 /nfs/dbraw/zinc/86/70/51/572867051.db2.gz MANQQQRCUUGNGP-KRTXAFLBSA-N 0 0 188.296 1.291 10 0 ADAERN Cn1c(CO)nc2cc(F)ccc21 71743956 572867393 /nfs/dbraw/zinc/86/73/93/572867393.db2.gz UBMWVWSUCLKSEC-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN CN(C/C=C/Cl)Cc1cc[nH]n1 307965430 572867069 /nfs/dbraw/zinc/86/70/69/572867069.db2.gz BLEFRUYBZMQMAN-DUXPYHPUSA-N 0 0 185.658 1.594 10 0 ADAERN CCSC[C@@H](NN)c1ccc[nH]1 307965301 572867101 /nfs/dbraw/zinc/86/71/01/572867101.db2.gz QHFPVUNAMINOHL-MRVPVSSYSA-N 0 0 185.296 1.272 10 0 ADAERN C[C@@H](CC(F)F)NC(=O)N(C)C 307965233 572867106 /nfs/dbraw/zinc/86/71/06/572867106.db2.gz QGOHXJKOJWDBNE-YFKPBYRVSA-N 0 0 180.198 1.301 10 0 ADAERN C[C@H](CC(F)F)NC(=O)N(C)C 307965222 572867185 /nfs/dbraw/zinc/86/71/85/572867185.db2.gz QGOHXJKOJWDBNE-RXMQYKEDSA-N 0 0 180.198 1.301 10 0 ADAERN CC[C@@H]1COc2ccccc2N1N 75568620 572867211 /nfs/dbraw/zinc/86/72/11/572867211.db2.gz MVOKSTOSQBVNIR-MRVPVSSYSA-N 0 0 178.235 1.538 10 0 ADAERN C[C@H](CSC(F)F)C(=O)N(C)C 307964663 572867229 /nfs/dbraw/zinc/86/72/29/572867229.db2.gz ZXNKTIWMVNZGRT-RXMQYKEDSA-N 0 0 197.250 1.667 10 0 ADAERN CCC1([C@@H](NN)[C@@H]2CCOC2)CC1 308155191 572867230 /nfs/dbraw/zinc/86/72/30/572867230.db2.gz SZNDGNMGEZFMMF-BDAKNGLRSA-N 0 0 184.283 1.045 10 0 ADAERN CCOCc1nc(C(C)=O)c[nH]1 307964781 572867244 /nfs/dbraw/zinc/86/72/44/572867244.db2.gz PYYXDISOBTYIFP-UHFFFAOYSA-N 0 0 168.196 1.149 10 0 ADAERN CCONC[C@@H]1COc2ccccc21 86106759 572867293 /nfs/dbraw/zinc/86/72/93/572867293.db2.gz NDWLHOJOWVKQLT-SECBINFHSA-N 0 0 193.246 1.704 10 0 ADAERN CC(=O)CCCC(=O)OC1CC1 307965655 572867345 /nfs/dbraw/zinc/86/73/45/572867345.db2.gz QVNRGGSHHPLYGH-UHFFFAOYSA-N 0 0 170.208 1.451 10 0 ADAERN NN1CCS[C@@H]2CCCC[C@H]21 75563041 572867826 /nfs/dbraw/zinc/86/78/26/572867826.db2.gz BQCRFKMDXWYTMW-HTQZYQBOSA-N 0 0 172.297 1.220 10 0 ADAERN CCC/C=C\[C@H]([NH3+])CC(=O)[O-] 211512353 572867549 /nfs/dbraw/zinc/86/75/49/572867549.db2.gz CXXOOUIGLXGJPK-MJSGSUOKSA-N 0 0 157.213 1.145 10 0 ADAERN C[C@H]1CC[C@H]2CCC(=O)O[C@@H]12 71786116 572867610 /nfs/dbraw/zinc/86/76/10/572867610.db2.gz IVYXFTUVXKVAGK-ZKWXMUAHSA-N 0 0 154.209 1.738 10 0 ADAERN CCONC[C@H]1COc2ccccc21 86106760 572867621 /nfs/dbraw/zinc/86/76/21/572867621.db2.gz NDWLHOJOWVKQLT-VIFPVBQESA-N 0 0 193.246 1.704 10 0 ADAERN CC[C@@H](C)OCc1cccc(N)n1 86118639 572867635 /nfs/dbraw/zinc/86/76/35/572867635.db2.gz WZZGTJFTNYJTLT-MRVPVSSYSA-N 0 0 180.251 1.979 10 0 ADAERN CCOCCOCc1cccc(N)n1 86118468 572867647 /nfs/dbraw/zinc/86/76/47/572867647.db2.gz IFVNHKAXNMOUDX-UHFFFAOYSA-N 0 0 196.250 1.217 10 0 ADAERN O[C@@H](CCCCF)C1(O)CCCC1 308154802 572867677 /nfs/dbraw/zinc/86/76/77/572867677.db2.gz SUCRVDVUVRLYKQ-VIFPVBQESA-N 0 0 190.258 1.792 10 0 ADAERN CCC(=O)Nc1ccc(N)nc1C 71742355 572867690 /nfs/dbraw/zinc/86/76/90/572867690.db2.gz OUPMJEQMVBNAQV-UHFFFAOYSA-N 0 0 179.223 1.321 10 0 ADAERN Nc1cc(F)c(N)c(F)c1Cl 75568885 572867708 /nfs/dbraw/zinc/86/77/08/572867708.db2.gz RDKBHAWOBPSZKP-UHFFFAOYSA-N 0 0 178.569 1.783 10 0 ADAERN CC(=O)CCCC(=O)c1cc[nH]c1 77267468 572868836 /nfs/dbraw/zinc/86/88/36/572868836.db2.gz UCUULORYQXGWCT-UHFFFAOYSA-N 0 0 179.219 1.957 10 0 ADAERN CC[C@H]1COc2ccccc2N1N 75568621 572867723 /nfs/dbraw/zinc/86/77/23/572867723.db2.gz MVOKSTOSQBVNIR-QMMMGPOBSA-N 0 0 178.235 1.538 10 0 ADAERN C[S@](N)(=O)=N[C@@H]1CC12CCCC2 404719479 572867755 /nfs/dbraw/zinc/86/77/55/572867755.db2.gz MANQQQRCUUGNGP-JMCQJSRRSA-N 0 0 188.296 1.291 10 0 ADAERN C[C@@](O)(C[C@@H]1CCOC1)C1=COCC1 689770269 572867804 /nfs/dbraw/zinc/86/78/04/572867804.db2.gz XIINXFNUINDTLT-GXSJLCMTSA-N 0 0 198.262 1.468 10 0 ADAERN CCC(=O)Nc1ccc(N)c(C)n1 71742261 572867812 /nfs/dbraw/zinc/86/78/12/572867812.db2.gz ZCYWSYDTVBKTKT-UHFFFAOYSA-N 0 0 179.223 1.321 10 0 ADAERN NC(=O)c1ccc2c(c1)NCCS2 118726106 572867881 /nfs/dbraw/zinc/86/78/81/572867881.db2.gz ZINQARMAHSTTAC-UHFFFAOYSA-N 0 0 194.259 1.303 10 0 ADAERN CC(=O)c1cn(CCCF)nc1C 308154570 572867887 /nfs/dbraw/zinc/86/78/87/572867887.db2.gz QMIBGNJIGDLWJG-UHFFFAOYSA-N 0 0 184.214 1.754 10 0 ADAERN OCCc1noc2cc(O)ccc12 75568997 572867933 /nfs/dbraw/zinc/86/79/33/572867933.db2.gz XFJCMJGKMMCHCI-UHFFFAOYSA-N 0 0 179.175 1.068 10 0 ADAERN CC(C)[N@@H+]1C[C@@H](C(=O)[O-])C2(CC2)C1 714573609 572867975 /nfs/dbraw/zinc/86/79/75/572867975.db2.gz GALUSMACXKTOEV-QMMMGPOBSA-N 0 0 183.251 1.191 10 0 ADAERN Cc1nn(C)c(C)c1N1CCCC1 71711173 572867985 /nfs/dbraw/zinc/86/79/85/572867985.db2.gz KVRKGTFTAKZQNZ-UHFFFAOYSA-N 0 0 179.267 1.637 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H]1CC[C@H]1C 308154720 572868022 /nfs/dbraw/zinc/86/80/22/572868022.db2.gz SNRFKGAFWUJFHX-LKJMDQPVSA-N 0 0 183.251 1.405 10 0 ADAERN CC(C)C[NH2+][C@@]1(C(=O)[O-])CC[C@H]1C 308155188 572868034 /nfs/dbraw/zinc/86/80/34/572868034.db2.gz SZLNKVONEVXKGR-SCZZXKLOSA-N 0 0 185.267 1.485 10 0 ADAERN CCC(=O)[C@H](O)c1ccc(O)cc1 75569814 572869073 /nfs/dbraw/zinc/86/90/73/572869073.db2.gz ICQZTKXEQMPLDD-SNVBAGLBSA-N 0 0 180.203 1.405 10 0 ADAERN CC(C)C[N@@H+]1C[C@@H](C(=O)[O-])C2(CC2)C1 714578380 572868074 /nfs/dbraw/zinc/86/80/74/572868074.db2.gz LUPZDECBOKVCFJ-VIFPVBQESA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)COCc1cccc(N)n1 86118520 572868132 /nfs/dbraw/zinc/86/81/32/572868132.db2.gz ATZNDZHRMATZEF-UHFFFAOYSA-N 0 0 180.251 1.836 10 0 ADAERN Cc1nc(N)ccc1NC(=O)C1CC1 71742361 572868151 /nfs/dbraw/zinc/86/81/51/572868151.db2.gz BXRNUUMHVWNWOJ-UHFFFAOYSA-N 0 0 191.234 1.321 10 0 ADAERN Cc1cscc1C1=N[C@@H](C)C(=O)N1 235375171 572868168 /nfs/dbraw/zinc/86/81/68/572868168.db2.gz CPIKYDYVZRZPSD-LURJTMIESA-N 0 0 194.259 1.321 10 0 ADAERN Cc1c(O)ccc2oc(=O)ccc12 75565945 572868201 /nfs/dbraw/zinc/86/82/01/572868201.db2.gz AMBMJMGIMBQROV-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN Cc1ccsc1COC(=O)CO 308154403 572868206 /nfs/dbraw/zinc/86/82/06/572868206.db2.gz NYIUHUGSPSMDCW-UHFFFAOYSA-N 0 0 186.232 1.092 10 0 ADAERN C[C@](O)(C[C@@H]1CCOC1)C1=COCC1 689770518 572868233 /nfs/dbraw/zinc/86/82/33/572868233.db2.gz XIINXFNUINDTLT-ONGXEEELSA-N 0 0 198.262 1.468 10 0 ADAERN COC(=O)C=CN[C@H]1CCC1(C)C 308154800 572868241 /nfs/dbraw/zinc/86/82/41/572868241.db2.gz STZRBEPNAIQAMX-TVSKSKRASA-N 0 0 183.251 1.451 10 0 ADAERN CC(=O)OC(C)(C)/C=C(/C)[C@H](C)O 308155264 572868252 /nfs/dbraw/zinc/86/82/52/572868252.db2.gz OYRKOTKSKGLAIB-UAPHAKCISA-N 0 0 186.251 1.655 10 0 ADAERN O=C1CCCCCN1CCCCO 35649961 572868290 /nfs/dbraw/zinc/86/82/90/572868290.db2.gz XNMKWTQDBNGHKT-UHFFFAOYSA-N 0 0 185.267 1.162 10 0 ADAERN C/C=C\C(=O)NCC[C@@H](C)OC 307966101 572868309 /nfs/dbraw/zinc/86/83/09/572868309.db2.gz BYVJZVWEWIQRDA-PULIVWKDSA-N 0 0 171.240 1.104 10 0 ADAERN CC1(C)[C@H]2CC[C@H](C2)[C@@H]1NC=O 71773350 572868352 /nfs/dbraw/zinc/86/83/52/572868352.db2.gz HVSTUUCJOJNKOK-VGMNWLOBSA-N 0 0 167.252 1.557 10 0 ADAERN C/C=C\[C@H](O)CCC1OCCCO1 308154653 572868366 /nfs/dbraw/zinc/86/83/66/572868366.db2.gz OFEFOUKHFGQIIV-MDHMXLOGSA-N 0 0 186.251 1.467 10 0 ADAERN CC(C)(C)OCn1ccnc1CO 308155126 572868378 /nfs/dbraw/zinc/86/83/78/572868378.db2.gz SUZVQOXWGRHXLU-UHFFFAOYSA-N 0 0 184.239 1.148 10 0 ADAERN COC[C@H](C)OCc1cccc(N)n1 86118741 572868394 /nfs/dbraw/zinc/86/83/94/572868394.db2.gz PYVYRLSPYWRPFN-QMMMGPOBSA-N 0 0 196.250 1.215 10 0 ADAERN CCN[C@H](c1ccc[nH]1)C(F)F 307966200 572870645 /nfs/dbraw/zinc/87/06/45/572870645.db2.gz RJOVBOSBIJHGPL-SSDOTTSWSA-N 0 0 174.194 1.930 10 0 ADAERN Cc1nc(N)ccc1NC(=O)C(C)C 71742358 572868481 /nfs/dbraw/zinc/86/84/81/572868481.db2.gz LSGSAVYCJBGNSY-UHFFFAOYSA-N 0 0 193.250 1.567 10 0 ADAERN CC(C)(O)CN[C@H](C(F)F)C1CC1 308154148 572868430 /nfs/dbraw/zinc/86/84/30/572868430.db2.gz QDDWFTNYLJDEIO-ZETCQYMHSA-N 0 0 193.237 1.391 10 0 ADAERN COCC(=O)OC[C@@H]1CCCS1 307966803 572868440 /nfs/dbraw/zinc/86/84/40/572868440.db2.gz CNULDLFTIZDVCK-ZETCQYMHSA-N 0 0 190.264 1.072 10 0 ADAERN CCC[C@]([NH3+])(CC(=O)[O-])C(C)C 77265351 572868505 /nfs/dbraw/zinc/86/85/05/572868505.db2.gz ZPSUJPWXZCCVRB-VIFPVBQESA-N 0 0 173.256 1.615 10 0 ADAERN CCCNC(=O)[C@@H]1C[C@@H]1CCC 307966388 572868524 /nfs/dbraw/zinc/86/85/24/572868524.db2.gz CFNYIJNFAIGKKW-DTWKUNHWSA-N 0 0 169.268 1.949 10 0 ADAERN NN1CCS[C@H]2CCCC[C@H]21 75563045 572868533 /nfs/dbraw/zinc/86/85/33/572868533.db2.gz BQCRFKMDXWYTMW-SFYZADRCSA-N 0 0 172.297 1.220 10 0 ADAERN CC[C@H](NN)c1cnccc1OC 308155202 572868584 /nfs/dbraw/zinc/86/85/84/572868584.db2.gz TTYHFMINMWCHOF-QMMMGPOBSA-N 0 0 181.239 1.005 10 0 ADAERN C/C=C/C[NH2+]CCCCC(=O)[O-] 307966028 572868609 /nfs/dbraw/zinc/86/86/09/572868609.db2.gz REEXAHCOGAZXPC-NSCUHMNNSA-N 0 0 171.240 1.407 10 0 ADAERN CCC[C@@H](O)C(=O)c1ccc[nH]1 307966194 572868637 /nfs/dbraw/zinc/86/86/37/572868637.db2.gz RIWKUHWAZVMJFX-MRVPVSSYSA-N 0 0 167.208 1.358 10 0 ADAERN CCC[C@@]([NH3+])(CC(=O)[O-])C(C)C 77265348 572868671 /nfs/dbraw/zinc/86/86/71/572868671.db2.gz ZPSUJPWXZCCVRB-SECBINFHSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@](O)(C[C@H]1CCOC1)C1=COCC1 689770516 572868678 /nfs/dbraw/zinc/86/86/78/572868678.db2.gz XIINXFNUINDTLT-MWLCHTKSSA-N 0 0 198.262 1.468 10 0 ADAERN COCC[C@H](C)C(=O)OCCF 307966063 572868730 /nfs/dbraw/zinc/86/87/30/572868730.db2.gz BXCDMUXNMLSUKG-ZETCQYMHSA-N 0 0 178.203 1.172 10 0 ADAERN CON(C)C(=S)N[C@H](C)C1CC1 307966724 572868783 /nfs/dbraw/zinc/86/87/83/572868783.db2.gz CLDWOLOEHCKIDG-ZCFIWIBFSA-N 0 0 188.296 1.153 10 0 ADAERN CCC[C@@H](C)NC(=O)[C@@H]1CCO1 307966330 572868875 /nfs/dbraw/zinc/86/88/75/572868875.db2.gz CDDDDKATEFIHSU-SFYZADRCSA-N 0 0 171.240 1.080 10 0 ADAERN CC(C)CONC(=O)N[C@@H]1C[C@@H]1C 308157102 572870659 /nfs/dbraw/zinc/87/06/59/572870659.db2.gz SCXNAEMGEUSBRA-JGVFFNPUSA-N 0 0 186.255 1.282 10 0 ADAERN CCC(=O)CCc1snnc1C 307966595 572870660 /nfs/dbraw/zinc/87/06/60/572870660.db2.gz RNRRWUXQUIFNCT-UHFFFAOYSA-N 0 0 184.264 1.758 10 0 ADAERN CC(=O)CCC(=O)c1cccn1C 77267474 572868957 /nfs/dbraw/zinc/86/89/57/572868957.db2.gz YZHNNBPUWVDDOI-UHFFFAOYSA-N 0 0 179.219 1.577 10 0 ADAERN CCOc1ccc(C(C)=O)cc1O 75569861 572868975 /nfs/dbraw/zinc/86/89/75/572868975.db2.gz IKXZZIYJNBHINQ-UHFFFAOYSA-N 0 0 180.203 1.994 10 0 ADAERN CCCCOCc1cccc(N)n1 86118607 572868980 /nfs/dbraw/zinc/86/89/80/572868980.db2.gz HKJMZDRZTJHSDM-UHFFFAOYSA-N 0 0 180.251 1.981 10 0 ADAERN CCc1c(CO)ccc(O)c1OC 75575906 572868995 /nfs/dbraw/zinc/86/89/95/572868995.db2.gz VLFLYBDFZFGORJ-UHFFFAOYSA-N 0 0 182.219 1.456 10 0 ADAERN CC[C@H](C)OCc1cccc(N)n1 86118641 572868996 /nfs/dbraw/zinc/86/89/96/572868996.db2.gz WZZGTJFTNYJTLT-QMMMGPOBSA-N 0 0 180.251 1.979 10 0 ADAERN COC(=O)[C@H](C)[C@H](N)c1ccco1 75576233 572869019 /nfs/dbraw/zinc/86/90/19/572869019.db2.gz YKKIMXSRNDQKLY-SVRRBLITSA-N 0 0 183.207 1.089 10 0 ADAERN O=C([O-])CCCCC[NH2+]CCF 307966618 572869028 /nfs/dbraw/zinc/86/90/28/572869028.db2.gz RQQGJSAMCJZYHX-UHFFFAOYSA-N 0 0 177.219 1.191 10 0 ADAERN CCOC[C@H](O)c1ccc(O)cc1 75575904 572869055 /nfs/dbraw/zinc/86/90/55/572869055.db2.gz QGEKHXIQAKSLQF-JTQLQIEISA-N 0 0 182.219 1.462 10 0 ADAERN CCN(CC)C(=O)C1(F)CCC1 307966060 572869107 /nfs/dbraw/zinc/86/91/07/572869107.db2.gz BXAACMHSJISTCJ-UHFFFAOYSA-N 0 0 173.231 1.747 10 0 ADAERN COCCCOCc1cccc(N)n1 86118365 572869130 /nfs/dbraw/zinc/86/91/30/572869130.db2.gz ULLSBNFOKNGERI-UHFFFAOYSA-N 0 0 196.250 1.217 10 0 ADAERN CC(C)COC(=O)c1ccno1 307966764 572869135 /nfs/dbraw/zinc/86/91/35/572869135.db2.gz RUIVZKAFMWATLK-UHFFFAOYSA-N 0 0 169.180 1.487 10 0 ADAERN O=c1c(Cl)c[nH]c2ncccc12 75570368 572869150 /nfs/dbraw/zinc/86/91/50/572869150.db2.gz LSPXMCZWMLQSFX-UHFFFAOYSA-N 0 0 180.594 1.989 10 0 ADAERN C[C@H](NN)[C@@H](C)Oc1ccccc1 75570240 572869169 /nfs/dbraw/zinc/86/91/69/572869169.db2.gz BNIHCXXHKRLHIW-DTWKUNHWSA-N 0 0 180.251 1.306 10 0 ADAERN CC(=O)OCCc1ccoc1C=O 75575847 572869171 /nfs/dbraw/zinc/86/91/71/572869171.db2.gz NZTFFMUMBKKPOX-UHFFFAOYSA-N 0 0 182.175 1.198 10 0 ADAERN COCC[C@H](C)c1nnc(C)o1 307966093 572869178 /nfs/dbraw/zinc/86/91/78/572869178.db2.gz BYIFRTLIUGJVPC-LURJTMIESA-N 0 0 170.212 1.518 10 0 ADAERN C[C@@H](NN)[C@@H](C)Oc1ccccc1 75570243 572869186 /nfs/dbraw/zinc/86/91/86/572869186.db2.gz BNIHCXXHKRLHIW-RKDXNWHRSA-N 0 0 180.251 1.306 10 0 ADAERN CO[C@@H](C)C[C@@H](O)c1ccc[nH]1 307965954 572869190 /nfs/dbraw/zinc/86/91/90/572869190.db2.gz QXXYDKRHBASROM-IONNQARKSA-N 0 0 169.224 1.473 10 0 ADAERN CCCOCc1cccc(N)n1 86118595 572869203 /nfs/dbraw/zinc/86/92/03/572869203.db2.gz WBHJLZGVIGTCEE-UHFFFAOYSA-N 0 0 166.224 1.590 10 0 ADAERN CCOC(=O)Nn1cccc1C=O 75575868 572869206 /nfs/dbraw/zinc/86/92/06/572869206.db2.gz KLTFQIUGWCORCR-UHFFFAOYSA-N 0 0 182.179 1.001 10 0 ADAERN CC[C@H](O)CC1(COC)CCC1 307966192 572869246 /nfs/dbraw/zinc/86/92/46/572869246.db2.gz RITQDMIVNNKNET-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN CC1(CC(=O)CCCO)CCC1 307966213 572869251 /nfs/dbraw/zinc/86/92/51/572869251.db2.gz RKNCXYRPKREIOC-UHFFFAOYSA-N 0 0 170.252 1.908 10 0 ADAERN O=Cc1c[nH]c2cc3c(cc12)OCC3 77597320 572869277 /nfs/dbraw/zinc/86/92/77/572869277.db2.gz IKDYAJHVRWAOGY-UHFFFAOYSA-N 0 0 187.198 1.915 10 0 ADAERN CCC(=O)[C@@H](O)c1ccc(O)cc1 75569817 572869290 /nfs/dbraw/zinc/86/92/90/572869290.db2.gz ICQZTKXEQMPLDD-JTQLQIEISA-N 0 0 180.203 1.405 10 0 ADAERN COCC[C@@H](C)c1nnc(C)o1 307966094 572869358 /nfs/dbraw/zinc/86/93/58/572869358.db2.gz BYIFRTLIUGJVPC-ZCFIWIBFSA-N 0 0 170.212 1.518 10 0 ADAERN CC(=O)OCc1ccc(ON)cc1 75570478 572869400 /nfs/dbraw/zinc/86/94/00/572869400.db2.gz IRLUOLUFBAYBMJ-UHFFFAOYSA-N 0 0 181.191 1.002 10 0 ADAERN CN(N)c1nc2ccncc2s1 75570047 572869418 /nfs/dbraw/zinc/86/94/18/572869418.db2.gz AFVNLDYMVSGDFQ-UHFFFAOYSA-N 0 0 180.236 1.001 10 0 ADAERN CC[C@@H](C)ONC(=O)C=C(C)C 307965749 572869426 /nfs/dbraw/zinc/86/94/26/572869426.db2.gz BVNXZQWMUPAFCY-MRVPVSSYSA-N 0 0 171.240 1.799 10 0 ADAERN CCOC(=O)[C@H](N)CC1=CCCC1 75576283 572869428 /nfs/dbraw/zinc/86/94/28/572869428.db2.gz DEVVKDUPSHFROS-SECBINFHSA-N 0 0 183.251 1.377 10 0 ADAERN C[C@@H](O)CCCC[C@@H](O)C1CC1 307966579 572869437 /nfs/dbraw/zinc/86/94/37/572869437.db2.gz RMSIKICOSYCMLF-PSASIEDQSA-N 0 0 172.268 1.699 10 0 ADAERN CCC[C@H](O)C(=O)c1ccc[nH]1 307966195 572869451 /nfs/dbraw/zinc/86/94/51/572869451.db2.gz RIWKUHWAZVMJFX-QMMMGPOBSA-N 0 0 167.208 1.358 10 0 ADAERN Cc1cc([C@@H](C)CO)c(O)cc1O 75575892 572869523 /nfs/dbraw/zinc/86/95/23/572869523.db2.gz PCPQNJSMOAPXNR-ZETCQYMHSA-N 0 0 182.219 1.502 10 0 ADAERN O=Cc1c[nH]c2ccc3c(c12)OCO3 77597318 572869527 /nfs/dbraw/zinc/86/95/27/572869527.db2.gz UIKRPEGUHSVYSE-UHFFFAOYSA-N 0 0 189.170 1.709 10 0 ADAERN CCCN(c1ncns1)C1CC1 307966097 572870748 /nfs/dbraw/zinc/87/07/48/572870748.db2.gz BYUFWGSTDDGWGV-UHFFFAOYSA-N 0 0 183.280 1.917 10 0 ADAERN CCc1cc(OC)c(O)cc1CO 75575903 572869619 /nfs/dbraw/zinc/86/96/19/572869619.db2.gz MWBOKWMHBSSSIZ-UHFFFAOYSA-N 0 0 182.219 1.456 10 0 ADAERN C/C=C\CCNC(=O)C(C)(F)F 307965969 572869615 /nfs/dbraw/zinc/86/96/15/572869615.db2.gz QYXFEDMVVUTTRN-ARJAWSKDSA-N 0 0 177.194 1.724 10 0 ADAERN C/C=C/C(=O)NCC[C@@H](C)OC 307966102 572869654 /nfs/dbraw/zinc/86/96/54/572869654.db2.gz BYVJZVWEWIQRDA-WTSVBCDHSA-N 0 0 171.240 1.104 10 0 ADAERN Nc1c(Cl)ncc2ncccc12 75569657 572869665 /nfs/dbraw/zinc/86/96/65/572869665.db2.gz CHRHQSXIEOYZKO-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Cc1cccc(NCCCON)c1 75570225 572869704 /nfs/dbraw/zinc/86/97/04/572869704.db2.gz XRLHANFWPJPOAO-UHFFFAOYSA-N 0 0 180.251 1.687 10 0 ADAERN CSCC(=O)c1ccc(N)cc1 75575738 572869757 /nfs/dbraw/zinc/86/97/57/572869757.db2.gz YJCRDSMVUQMPOS-UHFFFAOYSA-N 0 0 181.260 1.815 10 0 ADAERN CC(C)OCC(=O)O[C@@H](C)C1CC1 308156689 572869759 /nfs/dbraw/zinc/86/97/59/572869759.db2.gz RSVLIPKACKAADN-QMMMGPOBSA-N 0 0 186.251 1.753 10 0 ADAERN CCCOC(=O)N(CCC)OC 307966223 572869760 /nfs/dbraw/zinc/86/97/60/572869760.db2.gz RLFCESRSXWQLCW-UHFFFAOYSA-N 0 0 175.228 1.806 10 0 ADAERN CNc1cccc(CSCCO)n1 86118983 572869766 /nfs/dbraw/zinc/86/97/66/572869766.db2.gz GVCNGUXAIGLICO-UHFFFAOYSA-N 0 0 198.291 1.349 10 0 ADAERN Cc1ccnc2occ(N)c12 75585083 572869787 /nfs/dbraw/zinc/86/97/87/572869787.db2.gz VYZMXYSSVVJLEK-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN COCC[C@@H](C)C(=O)OCCF 307966062 572869791 /nfs/dbraw/zinc/86/97/91/572869791.db2.gz BXCDMUXNMLSUKG-SSDOTTSWSA-N 0 0 178.203 1.172 10 0 ADAERN COCc1cccc(C(C)=O)c1O 75569802 572869808 /nfs/dbraw/zinc/86/98/08/572869808.db2.gz AUPQTLYTDMSQBO-UHFFFAOYSA-N 0 0 180.203 1.741 10 0 ADAERN CCC[C@H](C)NC(=O)[C@@H]1CCO1 307966332 572869853 /nfs/dbraw/zinc/86/98/53/572869853.db2.gz CDDDDKATEFIHSU-YUMQZZPRSA-N 0 0 171.240 1.080 10 0 ADAERN CC(C)C([NH3+])(CC(=O)[O-])C(C)C 77265355 572869868 /nfs/dbraw/zinc/86/98/68/572869868.db2.gz IIGYSDXRFKWFNP-UHFFFAOYSA-N 0 0 173.256 1.471 10 0 ADAERN C[C@H](CO)CCc1ccccc1O 75570059 572869889 /nfs/dbraw/zinc/86/98/89/572869889.db2.gz HBXYTPNOFQZSBV-VIFPVBQESA-N 0 0 180.247 1.953 10 0 ADAERN CCc1nc2sc(N)nn2c1C 75576039 572869936 /nfs/dbraw/zinc/86/99/36/572869936.db2.gz ZTMYZHZKBDZEMR-UHFFFAOYSA-N 0 0 182.252 1.244 10 0 ADAERN CC[C@@H](C)NC(=O)c1cccnc1N 50201089 572869965 /nfs/dbraw/zinc/86/99/65/572869965.db2.gz XYCVLJLPERQMHV-SSDOTTSWSA-N 0 0 193.250 1.192 10 0 ADAERN CCOC(=O)c1[nH]c(C)cc1C=O 75570519 572869984 /nfs/dbraw/zinc/86/99/84/572869984.db2.gz HGPHUMMKMGUFPV-UHFFFAOYSA-N 0 0 181.191 1.312 10 0 ADAERN CC(C)C[C@H](C)CN1C[C@@H](O)CO1 308156522 572870024 /nfs/dbraw/zinc/87/00/24/572870024.db2.gz UJONROXZCHMXDZ-VHSXEESVSA-N 0 0 187.283 1.277 10 0 ADAERN CC(C)C[C@@H](C)CN1C[C@@H](O)CO1 308156521 572870082 /nfs/dbraw/zinc/87/00/82/572870082.db2.gz UJONROXZCHMXDZ-NXEZZACHSA-N 0 0 187.283 1.277 10 0 ADAERN CCCCCn1nc(N)sc1=O 307966333 572870110 /nfs/dbraw/zinc/87/01/10/572870110.db2.gz CDEHRHGVLOGJMT-UHFFFAOYSA-N 0 0 187.268 1.077 10 0 ADAERN CCCCc1cnc(N)nc1OC 75575728 572870127 /nfs/dbraw/zinc/87/01/27/572870127.db2.gz PGUWTCZYHPGCMT-UHFFFAOYSA-N 0 0 181.239 1.410 10 0 ADAERN CCOCC[S@@](=O)CCC1CC1 308156001 572870152 /nfs/dbraw/zinc/87/01/52/572870152.db2.gz OWAVWWWGFXRKDE-LBPRGKRZSA-N 0 0 190.308 1.572 10 0 ADAERN CCOCC[S@](=O)CCC1CC1 308156000 572870219 /nfs/dbraw/zinc/87/02/19/572870219.db2.gz OWAVWWWGFXRKDE-GFCCVEGCSA-N 0 0 190.308 1.572 10 0 ADAERN CC[C@H](C)ONC(=O)C=C(C)C 307965752 572870235 /nfs/dbraw/zinc/87/02/35/572870235.db2.gz BVNXZQWMUPAFCY-QMMMGPOBSA-N 0 0 171.240 1.799 10 0 ADAERN C/C=C\C(=O)NCC[C@H](C)OC 307966100 572870286 /nfs/dbraw/zinc/87/02/86/572870286.db2.gz BYVJZVWEWIQRDA-LGYSABEFSA-N 0 0 171.240 1.104 10 0 ADAERN CCOC(=O)[C@@H](N)CC1=CCCC1 75576284 572870294 /nfs/dbraw/zinc/87/02/94/572870294.db2.gz DEVVKDUPSHFROS-VIFPVBQESA-N 0 0 183.251 1.377 10 0 ADAERN [NH3+]CC1(CCC(=O)[O-])CCCCC1 238613225 572870312 /nfs/dbraw/zinc/87/03/12/572870312.db2.gz SUACIIUQFOQHQA-UHFFFAOYSA-N 0 0 185.267 1.760 10 0 ADAERN CO[C@H](C)C[C@H](O)c1ccc[nH]1 307965952 572870330 /nfs/dbraw/zinc/87/03/30/572870330.db2.gz QXXYDKRHBASROM-APPZFPTMSA-N 0 0 169.224 1.473 10 0 ADAERN CCOc1ccncc1[C@H](C)NN 308156549 572870342 /nfs/dbraw/zinc/87/03/42/572870342.db2.gz UKRNNRNFOBNART-ZETCQYMHSA-N 0 0 181.239 1.005 10 0 ADAERN C[C@H](NN)[C@H](C)Oc1ccccc1 75570245 572870351 /nfs/dbraw/zinc/87/03/51/572870351.db2.gz BNIHCXXHKRLHIW-IUCAKERBSA-N 0 0 180.251 1.306 10 0 ADAERN CCCNC(=O)[C@H]1C[C@@H]1CCC 307966389 572870365 /nfs/dbraw/zinc/87/03/65/572870365.db2.gz CFNYIJNFAIGKKW-IUCAKERBSA-N 0 0 169.268 1.949 10 0 ADAERN CCCc1nc(N)nc(OC)c1C 75575725 572871291 /nfs/dbraw/zinc/87/12/91/572871291.db2.gz OWSDYLZTKAHAKF-UHFFFAOYSA-N 0 0 181.239 1.328 10 0 ADAERN COCCCOC(=O)CC1CC1 307966090 572870429 /nfs/dbraw/zinc/87/04/29/572870429.db2.gz BYDFPMPRCNOMPM-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN Cc1cc2c(c(O)c1C)OCCO2 75569875 572870445 /nfs/dbraw/zinc/87/04/45/572870445.db2.gz SVTFPPRRXZTIGH-UHFFFAOYSA-N 0 0 180.203 1.780 10 0 ADAERN CC(C)CONC(=O)N[C@H]1C[C@@H]1C 308157106 572870446 /nfs/dbraw/zinc/87/04/46/572870446.db2.gz SCXNAEMGEUSBRA-YUMQZZPRSA-N 0 0 186.255 1.282 10 0 ADAERN CCN[C@@H](c1ccc[nH]1)C(F)F 307966201 572870457 /nfs/dbraw/zinc/87/04/57/572870457.db2.gz RJOVBOSBIJHGPL-ZETCQYMHSA-N 0 0 174.194 1.930 10 0 ADAERN Cc1cc([C@H](C)CO)c(O)cc1O 75575893 572870458 /nfs/dbraw/zinc/87/04/58/572870458.db2.gz PCPQNJSMOAPXNR-SSDOTTSWSA-N 0 0 182.219 1.502 10 0 ADAERN CCOc1cc(C)cc(C=O)c1O 75569866 572870465 /nfs/dbraw/zinc/87/04/65/572870465.db2.gz NXVHUVJNWRNJRG-UHFFFAOYSA-N 0 0 180.203 1.912 10 0 ADAERN C[C@@H]1CCC[C@H](Nc2nnc(N)o2)C1 235384614 572870482 /nfs/dbraw/zinc/87/04/82/572870482.db2.gz VIWAMZMGZSKXMT-RQJHMYQMSA-N 0 0 196.254 1.642 10 0 ADAERN CC(C)/C=C\C(=O)N[C@@H](C)CCO 308156758 572870522 /nfs/dbraw/zinc/87/05/22/572870522.db2.gz RVWMGRURVPPYST-WBSSQXGSSA-N 0 0 185.267 1.086 10 0 ADAERN CC[Si](CC)(CC)NC(N)=O 196560860 572870531 /nfs/dbraw/zinc/87/05/31/572870531.db2.gz ZUJHPDSXDJCNNL-UHFFFAOYSA-N 0 0 174.320 1.660 10 0 ADAERN COC(=O)[C@@H](C)[C@H](N)c1ccco1 75576232 572870550 /nfs/dbraw/zinc/87/05/50/572870550.db2.gz YKKIMXSRNDQKLY-XPUUQOCRSA-N 0 0 183.207 1.089 10 0 ADAERN C[C@@H](O)CCCC[C@H](O)C1CC1 307966580 572870555 /nfs/dbraw/zinc/87/05/55/572870555.db2.gz RMSIKICOSYCMLF-SCZZXKLOSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)OCCC[C@@H](O)c1nc[nH]n1 689508264 572870556 /nfs/dbraw/zinc/87/05/56/572870556.db2.gz QSVACOWZUVGNDG-MRVPVSSYSA-N 0 0 199.254 1.043 10 0 ADAERN C[C@H](O)CCCC[C@H](O)C1CC1 307966582 572870557 /nfs/dbraw/zinc/87/05/57/572870557.db2.gz RMSIKICOSYCMLF-WPRPVWTQSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H](O)CCCC[C@@H](O)C1CC1 307966581 572870572 /nfs/dbraw/zinc/87/05/72/572870572.db2.gz RMSIKICOSYCMLF-WCBMZHEXSA-N 0 0 172.268 1.699 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](N)c1ccco1 75576234 572870575 /nfs/dbraw/zinc/87/05/75/572870575.db2.gz YKKIMXSRNDQKLY-POYBYMJQSA-N 0 0 183.207 1.089 10 0 ADAERN CC(C)OCCC[C@H](O)C(F)F 689508419 572870600 /nfs/dbraw/zinc/87/06/00/572870600.db2.gz RNNSCDHLIFPRLC-ZETCQYMHSA-N 0 0 182.210 1.818 10 0 ADAERN C[C@H](Oc1ccccc1)[C@@H](C)NN 75570249 572870626 /nfs/dbraw/zinc/87/06/26/572870626.db2.gz BNIHCXXHKRLHIW-BDAKNGLRSA-N 0 0 180.251 1.306 10 0 ADAERN C/C=C/C[N@H+](CC(=O)[O-])C(C)(C)C 86137395 572870630 /nfs/dbraw/zinc/87/06/30/572870630.db2.gz SAMQFRIEDROSRX-AATRIKPKSA-N 0 0 185.267 1.748 10 0 ADAERN CC(C)OCCC[C@@H](O)C(F)F 689508418 572871354 /nfs/dbraw/zinc/87/13/54/572871354.db2.gz RNNSCDHLIFPRLC-SSDOTTSWSA-N 0 0 182.210 1.818 10 0 ADAERN CC(C)/C=C\C(=O)N[C@H](C)CCO 308156762 572870676 /nfs/dbraw/zinc/87/06/76/572870676.db2.gz RVWMGRURVPPYST-XRVBUDJMSA-N 0 0 185.267 1.086 10 0 ADAERN CCONC(=S)NCC1CCC1 308156150 572870695 /nfs/dbraw/zinc/87/06/95/572870695.db2.gz PAKIAFZMYMYBCK-UHFFFAOYSA-N 0 0 188.296 1.202 10 0 ADAERN CC(C)OCCC[C@H](O)c1nc[nH]n1 689508265 572870788 /nfs/dbraw/zinc/87/07/88/572870788.db2.gz QSVACOWZUVGNDG-QMMMGPOBSA-N 0 0 199.254 1.043 10 0 ADAERN C[C@@H](CO)CCc1ccccc1O 75570061 572870791 /nfs/dbraw/zinc/87/07/91/572870791.db2.gz HBXYTPNOFQZSBV-SECBINFHSA-N 0 0 180.247 1.953 10 0 ADAERN CC(=O)CCOC(=O)C(C)(C)F 307966592 572870796 /nfs/dbraw/zinc/87/07/96/572870796.db2.gz RNPLCTVUBYRPGN-UHFFFAOYSA-N 0 0 176.187 1.257 10 0 ADAERN COCCOC(=O)CCC(C)C 307966322 572870814 /nfs/dbraw/zinc/87/08/14/572870814.db2.gz CCVPEUXXXSBWNG-UHFFFAOYSA-N 0 0 174.240 1.612 10 0 ADAERN CO[C@@H](C)C[C@H](O)c1ccc[nH]1 307965953 572870833 /nfs/dbraw/zinc/87/08/33/572870833.db2.gz QXXYDKRHBASROM-CBAPKCEASA-N 0 0 169.224 1.473 10 0 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SNLFAIYWYCJLRO-UHFFFAOYSA-N 0 0 192.218 1.956 10 0 ADAERN CC[C@H](C)ONC(=O)CC1CC1 307970672 572873509 /nfs/dbraw/zinc/87/35/09/572873509.db2.gz GWTMGUZDOKZLTO-ZETCQYMHSA-N 0 0 171.240 1.633 10 0 ADAERN Cc1nc(C)c2c(N)c[nH]c2n1 75523864 572873548 /nfs/dbraw/zinc/87/35/48/572873548.db2.gz MGVGFRJCTNIEDD-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN C/C=C/C[NH2+][C@H](C)CCC(=O)[O-] 307967280 572873554 /nfs/dbraw/zinc/87/35/54/572873554.db2.gz SIHWQEMQPHRSQT-MPJRPATESA-N 0 0 171.240 1.405 10 0 ADAERN COCSc1nnc(C(C)C)o1 307967425 572873576 /nfs/dbraw/zinc/87/35/76/572873576.db2.gz DDBXDQLNALVAKC-UHFFFAOYSA-N 0 0 188.252 1.889 10 0 ADAERN Cn1cc(N)c2cnsc21 75521278 572873632 /nfs/dbraw/zinc/87/36/32/572873632.db2.gz QXVKSMTVLFYBKH-UHFFFAOYSA-N 0 0 153.210 1.217 10 0 ADAERN C/C=C/C[NH2+][C@@H](C)CCC(=O)[O-] 307967281 572873639 /nfs/dbraw/zinc/87/36/39/572873639.db2.gz SIHWQEMQPHRSQT-RTMURIBGSA-N 0 0 171.240 1.405 10 0 ADAERN CCOC(=O)/C=C/[C@H](C)C[C@H](C)O 308160980 572873648 /nfs/dbraw/zinc/87/36/48/572873648.db2.gz ZNLNJQSJZHYLPJ-MUNZNRDXSA-N 0 0 186.251 1.513 10 0 ADAERN Cc1cc(-c2c(C=O)coc2N)n[nH]1 75526123 572873681 /nfs/dbraw/zinc/87/36/81/572873681.db2.gz UOXQXHGBFVYOSM-UHFFFAOYSA-N 0 0 191.190 1.373 10 0 ADAERN Nc1scc(C=O)c1-c1ccon1 75526436 572873685 /nfs/dbraw/zinc/87/36/85/572873685.db2.gz HLFNXBMRBNJEPZ-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN COCc1c(C=O)csc1N 75526226 572873781 /nfs/dbraw/zinc/87/37/81/572873781.db2.gz DJTJMSOZYZIORQ-UHFFFAOYSA-N 0 0 171.221 1.289 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)C2)s1 222588987 572873799 /nfs/dbraw/zinc/87/37/99/572873799.db2.gz DHZVEEUGNQIPOF-ZETCQYMHSA-N 0 0 181.260 1.660 10 0 ADAERN Cc1nc(C2CC2)c2c(N)c[nH]c2n1 75523885 572873863 /nfs/dbraw/zinc/87/38/63/572873863.db2.gz CCNIFOGHHYUDCN-UHFFFAOYSA-N 0 0 188.234 1.726 10 0 ADAERN Cc1nc(C2CC2)c2c(N)coc2n1 75522655 572873886 /nfs/dbraw/zinc/87/38/86/572873886.db2.gz APDRNJPQOPSNCD-UHFFFAOYSA-N 0 0 189.218 1.991 10 0 ADAERN C/C(=C/c1ccsc1)[C@@H](O)[C@H](C)O 308161883 572873945 /nfs/dbraw/zinc/87/39/45/572873945.db2.gz MTEYDSADCZYRIP-GHDBMNKCSA-N 0 0 198.287 1.893 10 0 ADAERN CO[C@@H](C)C(=O)OC[Si](C)(C)C 307967356 572873996 /nfs/dbraw/zinc/87/39/96/572873996.db2.gz CYACKDOVBZQUFS-ZETCQYMHSA-N 0 0 190.315 1.442 10 0 ADAERN Cc1nocc1-c1c(C=O)coc1N 75526043 572874033 /nfs/dbraw/zinc/87/40/33/572874033.db2.gz WSBFMUCJFJGWNA-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN CSCCOC(=O)/C=C\C1CC1 308155330 572874042 /nfs/dbraw/zinc/87/40/42/572874042.db2.gz OMKVSKFQVTTXGL-PLNGDYQASA-N 0 0 186.276 1.859 10 0 ADAERN Cn1cc(N)c2c(C3CC3)ncnc21 75524655 572874052 /nfs/dbraw/zinc/87/40/52/572874052.db2.gz DFNQOYIVZRURBJ-UHFFFAOYSA-N 0 0 188.234 1.428 10 0 ADAERN C[C@@H]1Nc2sc(C=O)cc2NC1=O 75527023 572874072 /nfs/dbraw/zinc/87/40/72/572874072.db2.gz IQFBDCMYHXSZEY-BYPYZUCNSA-N 0 0 196.231 1.313 10 0 ADAERN Cc1ncc(-c2c(C=O)coc2N)o1 75526143 572874093 /nfs/dbraw/zinc/87/40/93/572874093.db2.gz WMOJVAPDRDOPDS-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN CC1(C)Nc2cc[nH]c2NC1=O 75527973 572874130 /nfs/dbraw/zinc/87/41/30/572874130.db2.gz HRQLYXLYQBNAHK-UHFFFAOYSA-N 0 0 165.196 1.157 10 0 ADAERN CC[C@H]1Nc2cc(C=O)oc2NC1=O 75527323 572874140 /nfs/dbraw/zinc/87/41/40/572874140.db2.gz UJHOWOAHYBDXIH-ZCFIWIBFSA-N 0 0 194.190 1.235 10 0 ADAERN CC(C)c1ncnc2[nH]cc(N)c12 75523454 572874142 /nfs/dbraw/zinc/87/41/42/572874142.db2.gz GNONUFNMOXHLRM-UHFFFAOYSA-N 0 0 176.223 1.664 10 0 ADAERN CC(C)Cc1c(C=O)coc1N 75525886 572874224 /nfs/dbraw/zinc/87/42/24/572874224.db2.gz SUKXETSMJZSOKR-UHFFFAOYSA-N 0 0 167.208 1.873 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)C1CC1 77272355 572874257 /nfs/dbraw/zinc/87/42/57/572874257.db2.gz RBPGBKNFZWFZEI-VIFPVBQESA-N 0 0 185.267 1.580 10 0 ADAERN Cc1n[nH]cc1-c1c(C=O)coc1N 75526052 572874259 /nfs/dbraw/zinc/87/42/59/572874259.db2.gz VWBXKELFXJUZCF-UHFFFAOYSA-N 0 0 191.190 1.373 10 0 ADAERN O=Cc1cocc1-c1cnoc1 75525625 572874287 /nfs/dbraw/zinc/87/42/87/572874287.db2.gz UVQQKXMKIVUVGH-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN C/C=C(\C)[C@H](O)C(C)(C)C(=O)OC 308161357 572874291 /nfs/dbraw/zinc/87/42/91/572874291.db2.gz LVVQGMUTFMPXMM-CZEYKFRCSA-N 0 0 186.251 1.513 10 0 ADAERN O=Cc1cocc1-c1cn[nH]c1 75525681 572874292 /nfs/dbraw/zinc/87/42/92/572874292.db2.gz BAKVIXZXHMEKEM-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN Nc1occ(C=O)c1-c1ccccn1 75525993 572874296 /nfs/dbraw/zinc/87/42/96/572874296.db2.gz RFQSPYIRMHDBIV-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN O=Cc1cc2c([nH]1)N1CCC[C@H]1CN2 75527871 572874326 /nfs/dbraw/zinc/87/43/26/572874326.db2.gz MRGONVFRMPXERW-QMMMGPOBSA-N 0 0 191.234 1.222 10 0 ADAERN C=Cc1ccccc1ON 75524874 572874376 /nfs/dbraw/zinc/87/43/76/572874376.db2.gz MDBNTGMOPYRWDX-UHFFFAOYSA-N 0 0 135.166 1.582 10 0 ADAERN C[C@H]1Nc2c(csc2C=O)NC1=O 75527068 572874381 /nfs/dbraw/zinc/87/43/81/572874381.db2.gz BSFYELDDFKIVLJ-SCSAIBSYSA-N 0 0 196.231 1.313 10 0 ADAERN CC(C)/C=C\C(=O)N1CC=CCC1 308161200 572874400 /nfs/dbraw/zinc/87/44/00/572874400.db2.gz VFJOAMVYNQAVLG-SREVYHEPSA-N 0 0 179.263 1.987 10 0 ADAERN CC(C)[C@@]([NH3+])(CC(=O)[O-])C(C)(C)C 77273827 572874401 /nfs/dbraw/zinc/87/44/01/572874401.db2.gz WXOLQEOVSYFRHN-JTQLQIEISA-N 0 0 187.283 1.861 10 0 ADAERN Cc1nc(C)c2c(N)csc2n1 75521760 572874402 /nfs/dbraw/zinc/87/44/02/572874402.db2.gz PLNHMDJJRNJRFN-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN CCCCCn1nncc1[C@H](C)O 308161699 572874404 /nfs/dbraw/zinc/87/44/04/572874404.db2.gz XBGLQKNFCHAWEG-QMMMGPOBSA-N 0 0 183.255 1.522 10 0 ADAERN C/C(Cl)=C\CON 75520282 572874450 /nfs/dbraw/zinc/87/44/50/572874450.db2.gz XTAJQKFIRBUMRZ-DUXPYHPUSA-N 0 0 121.567 1.019 10 0 ADAERN CCc1nsc2[nH]cc(N)c12 75520942 572874466 /nfs/dbraw/zinc/87/44/66/572874466.db2.gz BRWMFXSWFKCKJE-UHFFFAOYSA-N 0 0 167.237 1.769 10 0 ADAERN Cc1nc(C)c2c(N)cn(C)c2n1 75524844 572874476 /nfs/dbraw/zinc/87/44/76/572874476.db2.gz JQWJDMLBPAZNFL-UHFFFAOYSA-N 0 0 176.223 1.167 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])c1ccc[nH]1 77269596 572874503 /nfs/dbraw/zinc/87/45/03/572874503.db2.gz JASUSWYYJANCCO-MRVPVSSYSA-N 0 0 182.223 1.138 10 0 ADAERN CC[C@@H]1Nc2oc(C=O)cc2NC1=O 75527403 572874527 /nfs/dbraw/zinc/87/45/27/572874527.db2.gz CYTBAMUTVIIDAZ-LURJTMIESA-N 0 0 194.190 1.235 10 0 ADAERN CC(C)[NH2+][C@H](C(=O)[O-])c1ccc[nH]1 77269590 572874603 /nfs/dbraw/zinc/87/46/03/572874603.db2.gz JASUSWYYJANCCO-QMMMGPOBSA-N 0 0 182.223 1.138 10 0 ADAERN O=Cc1cc2c([nH]1)N1CCC[C@@H]1CN2 75527866 572874610 /nfs/dbraw/zinc/87/46/10/572874610.db2.gz MRGONVFRMPXERW-MRVPVSSYSA-N 0 0 191.234 1.222 10 0 ADAERN O=C([O-])[C@H](NC1CC1)c1ccco1 77268691 572874623 /nfs/dbraw/zinc/87/46/23/572874623.db2.gz PAXOXDRHPPMFJX-MRVPVSSYSA-N 0 0 181.191 1.157 10 0 ADAERN C/C=C\[C@H](O)[C@@H](O)c1ccccc1 308155476 572874655 /nfs/dbraw/zinc/87/46/55/572874655.db2.gz PPWSYJNJVOLOQY-ZCWDBRCYSA-N 0 0 178.231 1.657 10 0 ADAERN O=C1Nc2[nH]ccc2NC12CCCC2 75527981 572874669 /nfs/dbraw/zinc/87/46/69/572874669.db2.gz BVKRGCPWSJTVIV-UHFFFAOYSA-N 0 0 191.234 1.692 10 0 ADAERN CO[C@@H](C)CC(=O)OCCSC 308161554 572874686 /nfs/dbraw/zinc/87/46/86/572874686.db2.gz RRWWFVCJVXWOTJ-ZETCQYMHSA-N 0 0 192.280 1.318 10 0 ADAERN CCONCC[C@H]1CCCCO1 308161551 572874697 /nfs/dbraw/zinc/87/46/97/572874697.db2.gz RRTFYNYBLFCUQC-SECBINFHSA-N 0 0 173.256 1.487 10 0 ADAERN O=Cc1cc2c(o1)N1CCC[C@@H]1CN2 75527407 572874912 /nfs/dbraw/zinc/87/49/12/572874912.db2.gz PBOOKFOLQBIQIN-SSDOTTSWSA-N 0 0 192.218 1.486 10 0 ADAERN Cc1n[nH]cc1-c1cocc1C=O 75525691 572874706 /nfs/dbraw/zinc/87/47/06/572874706.db2.gz UMYNIEWRFRFRMJ-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1cc(-c2cocc2C=O)nn1C 75525761 572874768 /nfs/dbraw/zinc/87/47/68/572874768.db2.gz DBQYWJJMYVRTJA-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)C2)s1 222588918 572874780 /nfs/dbraw/zinc/87/47/80/572874780.db2.gz DHZVEEUGNQIPOF-SSDOTTSWSA-N 0 0 181.260 1.660 10 0 ADAERN O=Cc1cocc1-c1ncco1 75525728 572874922 /nfs/dbraw/zinc/87/49/22/572874922.db2.gz IDIJQMHXHOBKDR-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN Cc1nc(C)c2c(N)coc2n1 75522630 572874791 /nfs/dbraw/zinc/87/47/91/572874791.db2.gz JCSHNPOPMLBRQQ-UHFFFAOYSA-N 0 0 163.180 1.422 10 0 ADAERN Cc1cc(NCC[NH+](C)C)c(C)[nH]1 77269219 572874795 /nfs/dbraw/zinc/87/47/95/572874795.db2.gz JCWFCECTIMUSME-UHFFFAOYSA-N 0 0 181.283 1.605 10 0 ADAERN Nc1occ(C=O)c1-c1ccon1 75526027 572874817 /nfs/dbraw/zinc/87/48/17/572874817.db2.gz ARJRMKHUYINBPG-UHFFFAOYSA-N 0 0 178.147 1.329 10 0 ADAERN C[C@@H]1Nc2csc(C=O)c2NC1=O 75527082 572874834 /nfs/dbraw/zinc/87/48/34/572874834.db2.gz AKEDDEXYKGPVFL-BYPYZUCNSA-N 0 0 196.231 1.313 10 0 ADAERN Cn1ccc(-c2c(C=O)coc2N)c1 75526013 572874843 /nfs/dbraw/zinc/87/48/43/572874843.db2.gz CPVDPAGUZLKRHR-UHFFFAOYSA-N 0 0 190.202 1.680 10 0 ADAERN C[NH2+][C@H](C(=O)c1ccc[nH]1)C(C)C 77268520 572874873 /nfs/dbraw/zinc/87/48/73/572874873.db2.gz RNJDYLZHSXPRRT-VIFPVBQESA-N 0 0 180.251 1.441 10 0 ADAERN CC1(C)Nc2occc2NC1=O 75527597 572874882 /nfs/dbraw/zinc/87/48/82/572874882.db2.gz MMNATHFZSMWHER-UHFFFAOYSA-N 0 0 166.180 1.422 10 0 ADAERN NCC(=O)OCCC1CCCCC1 77272397 572874885 /nfs/dbraw/zinc/87/48/85/572874885.db2.gz QZHGBBADSBTTLG-UHFFFAOYSA-N 0 0 185.267 1.459 10 0 ADAERN CC(C)Cc1ncnc2[nH]cc(N)c12 75523457 572875068 /nfs/dbraw/zinc/87/50/68/572875068.db2.gz LBTGHKRICLMEPI-UHFFFAOYSA-N 0 0 190.250 1.739 10 0 ADAERN CC[C@H]1Nc2oc(C=O)cc2NC1=O 75527400 572874975 /nfs/dbraw/zinc/87/49/75/572874975.db2.gz CYTBAMUTVIIDAZ-ZCFIWIBFSA-N 0 0 194.190 1.235 10 0 ADAERN Nc1occ(C=O)c1Cc1ccco1 75526174 572874988 /nfs/dbraw/zinc/87/49/88/572874988.db2.gz QMZKBKBFOAXVEG-UHFFFAOYSA-N 0 0 191.186 1.858 10 0 ADAERN CC[C@@H](O)[C@H](CO)c1ccccc1 308161361 572875005 /nfs/dbraw/zinc/87/50/05/572875005.db2.gz LWINHTOBYSIMJW-GHMZBOCLSA-N 0 0 180.247 1.533 10 0 ADAERN CCCc1cn(CCC(=O)[O-])cn1 77269640 572875008 /nfs/dbraw/zinc/87/50/08/572875008.db2.gz GGYMOOMWMAAPQO-UHFFFAOYSA-N 0 0 182.223 1.310 10 0 ADAERN C[NH2+][C@@H](C(=O)c1ccc[nH]1)C(C)C 77268524 572875026 /nfs/dbraw/zinc/87/50/26/572875026.db2.gz RNJDYLZHSXPRRT-SECBINFHSA-N 0 0 180.251 1.441 10 0 ADAERN Nc1c[nH]c2ncnc(C3CC3)c12 75523463 572875043 /nfs/dbraw/zinc/87/50/43/572875043.db2.gz ZDIACWVHMOFCPJ-UHFFFAOYSA-N 0 0 174.207 1.418 10 0 ADAERN C/C=C\CCNC(=O)[C@H](C)SC 308161480 572875076 /nfs/dbraw/zinc/87/50/76/572875076.db2.gz RKPBAJQFXXVKAI-LGYSABEFSA-N 0 0 187.308 1.820 10 0 ADAERN CC(C)CCCOC(=O)[C@@H](C)O 116638646 572875125 /nfs/dbraw/zinc/87/51/25/572875125.db2.gz YIYNIPPVGRHXKN-MRVPVSSYSA-N 0 0 174.240 1.347 10 0 ADAERN CC(C)[C@@H]1Nc2cocc2NC1=O 75527681 572875128 /nfs/dbraw/zinc/87/51/28/572875128.db2.gz VMKSAIADOQZXME-QMMMGPOBSA-N 0 0 180.207 1.668 10 0 ADAERN COCc1nsc2[nH]cc(N)c12 75520961 572875154 /nfs/dbraw/zinc/87/51/54/572875154.db2.gz SAURTPVTPHRZQW-UHFFFAOYSA-N 0 0 183.236 1.353 10 0 ADAERN CCCN[C@@]1(C(=O)OC)CC[C@H]1C 308161321 572875176 /nfs/dbraw/zinc/87/51/76/572875176.db2.gz WYKGPUATCHUKKZ-SCZZXKLOSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)[C@H]1Nc2cc[nH]c2NC1=O 75527997 572875182 /nfs/dbraw/zinc/87/51/82/572875182.db2.gz NBWCKSLOPQLFIL-SSDOTTSWSA-N 0 0 179.223 1.403 10 0 ADAERN Cc1ncnc2occ(N)c12 75522229 572875217 /nfs/dbraw/zinc/87/52/17/572875217.db2.gz UQEKTMQWRNYVSR-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN Nc1occ(C=O)c1-c1ccncc1 75525994 572875245 /nfs/dbraw/zinc/87/52/45/572875245.db2.gz UZERDYXNMHYQPS-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN C[C@]([NH3+])(CC(=O)[O-])Cc1ccco1 77270500 572875266 /nfs/dbraw/zinc/87/52/66/572875266.db2.gz QKZGUXMAKQDJCF-SECBINFHSA-N 0 0 183.207 1.014 10 0 ADAERN Cc1nsc2c1c(N)cn2C 75521170 572875272 /nfs/dbraw/zinc/87/52/72/572875272.db2.gz FFUPXADNVVNBBJ-UHFFFAOYSA-N 0 0 167.237 1.525 10 0 ADAERN Nc1scc(C=O)c1-c1cnoc1 75526445 572875987 /nfs/dbraw/zinc/87/59/87/572875987.db2.gz OEEZHHBRQHFGNK-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN C[C@H]1Nc2csc(C=O)c2NC1=O 75527078 572875291 /nfs/dbraw/zinc/87/52/91/572875291.db2.gz AKEDDEXYKGPVFL-SCSAIBSYSA-N 0 0 196.231 1.313 10 0 ADAERN Cc1c[nH]nc1-c1c(C=O)coc1N 75526115 572875307 /nfs/dbraw/zinc/87/53/07/572875307.db2.gz CGAYUYZWLNUZHU-UHFFFAOYSA-N 0 0 191.190 1.373 10 0 ADAERN CCc1nc(C)nc2c1c(N)cn2C 75524852 572875333 /nfs/dbraw/zinc/87/53/33/572875333.db2.gz ZNWKOSBHZLVBGI-UHFFFAOYSA-N 0 0 190.250 1.421 10 0 ADAERN CCc1ncnc2scc(N)c12 75521487 572875371 /nfs/dbraw/zinc/87/53/71/572875371.db2.gz RSNKHKYBHZYXSY-UHFFFAOYSA-N 0 0 179.248 1.836 10 0 ADAERN O=Cc1cocc1C1CC1 75525423 572875422 /nfs/dbraw/zinc/87/54/22/572875422.db2.gz SHBATHQJNVURNG-UHFFFAOYSA-N 0 0 136.150 1.970 10 0 ADAERN Cc1c(-c2cocc2C=O)cnn1C 75525702 572875431 /nfs/dbraw/zinc/87/54/31/572875431.db2.gz XZWAIVNMJSXWQD-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN COC(Cc1ccc[nH]1)(OC)OC 77272295 572875434 /nfs/dbraw/zinc/87/54/34/572875434.db2.gz LPIOLURHFNSDDR-UHFFFAOYSA-N 0 0 185.223 1.150 10 0 ADAERN CC(C)C[C@]([NH3+])(CC(=O)[O-])C(C)C 77273821 572875390 /nfs/dbraw/zinc/87/53/90/572875390.db2.gz HIFJDLPMMYZYMF-JTQLQIEISA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)[C@H]1Nc2ccoc2NC1=O 75527582 572876115 /nfs/dbraw/zinc/87/61/15/572876115.db2.gz SMLZOSMREDMAQG-SSDOTTSWSA-N 0 0 180.207 1.668 10 0 ADAERN CCc1nc(C)nc2occ(N)c12 75522641 572875475 /nfs/dbraw/zinc/87/54/75/572875475.db2.gz LPGRSFKRDJHPJO-UHFFFAOYSA-N 0 0 177.207 1.676 10 0 ADAERN O=C([O-])[C@@H](CC(F)F)[NH+]1CCCC1 308161679 572875494 /nfs/dbraw/zinc/87/54/94/572875494.db2.gz WZYDSBYGWJZKOX-ZCFIWIBFSA-N 0 0 193.193 1.191 10 0 ADAERN Cc1conc1-c1c(C=O)coc1N 75526030 572875495 /nfs/dbraw/zinc/87/54/95/572875495.db2.gz YLAJPUAHIAIFLP-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN COCC(=O)O[C@@H](C)C=C(C)C 308161525 572875514 /nfs/dbraw/zinc/87/55/14/572875514.db2.gz RPRNMJLLZPUOGI-QMMMGPOBSA-N 0 0 172.224 1.531 10 0 ADAERN Nc1coc2sncc12 75520311 572875539 /nfs/dbraw/zinc/87/55/39/572875539.db2.gz KSVXFKNRINMPOH-UHFFFAOYSA-N 0 0 140.167 1.472 10 0 ADAERN O=C1Nc2occc2NC12CCCC2 75527563 572875547 /nfs/dbraw/zinc/87/55/47/572875547.db2.gz NTFDIAGPBXZMFF-UHFFFAOYSA-N 0 0 192.218 1.956 10 0 ADAERN CCCCC=C=C(C)[C@@H](CO)NO 308161421 572875581 /nfs/dbraw/zinc/87/55/81/572875581.db2.gz MIBIWMNGBJDZFG-OMNKOJBGSA-N 0 0 185.267 1.618 10 0 ADAERN CC1(C)Nc2ccoc2NC1=O 75527556 572875587 /nfs/dbraw/zinc/87/55/87/572875587.db2.gz XVCKANTXCHAEJB-UHFFFAOYSA-N 0 0 166.180 1.422 10 0 ADAERN CC(C)CC(=O)Cn1cc(N)cn1 77269069 572875592 /nfs/dbraw/zinc/87/55/92/572875592.db2.gz JLJGXXSIGBZVMS-UHFFFAOYSA-N 0 0 181.239 1.081 10 0 ADAERN CC[C@@H](SC)C(=O)OCC(C)=O 307970781 572875597 /nfs/dbraw/zinc/87/55/97/572875597.db2.gz GYEICTFMVPKAOY-SSDOTTSWSA-N 0 0 190.264 1.260 10 0 ADAERN CC1(C)Nc2oc(C=O)cc2NC1=O 75527377 572875598 /nfs/dbraw/zinc/87/55/98/572875598.db2.gz YWJXQDYIOJGJTQ-UHFFFAOYSA-N 0 0 194.190 1.235 10 0 ADAERN CO[C@H](C)CC(=O)OCCSC 308161553 572875601 /nfs/dbraw/zinc/87/56/01/572875601.db2.gz RRWWFVCJVXWOTJ-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CC(O)=C1C[C@@H](CC(C)C)OC1=O 77270963 572875671 /nfs/dbraw/zinc/87/56/71/572875671.db2.gz QKAVCBKBVYTMLJ-BDAKNGLRSA-N 0 0 184.235 1.553 10 0 ADAERN O=C1C=CC[C@@H](CCCCCO)O1 308161863 572875725 /nfs/dbraw/zinc/87/57/25/572875725.db2.gz MPOMEWPQZJGCKG-SECBINFHSA-N 0 0 184.235 1.411 10 0 ADAERN C[C@@H]1Nc2c(csc2C=O)NC1=O 75527071 572875726 /nfs/dbraw/zinc/87/57/26/572875726.db2.gz BSFYELDDFKIVLJ-BYPYZUCNSA-N 0 0 196.231 1.313 10 0 ADAERN C/C=C\CCNC(=O)[C@@H](C)SC 308161481 572875708 /nfs/dbraw/zinc/87/57/08/572875708.db2.gz RKPBAJQFXXVKAI-PULIVWKDSA-N 0 0 187.308 1.820 10 0 ADAERN Nc1occ(C=O)c1-c1cccnc1 75525992 572875716 /nfs/dbraw/zinc/87/57/16/572875716.db2.gz LSYVFTDSVYYCHC-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN O=Cc1cc2c(o1)NC[C@@H]1CCCN21 75527446 572875733 /nfs/dbraw/zinc/87/57/33/572875733.db2.gz KZSFXSJBGHDHPM-ZETCQYMHSA-N 0 0 192.218 1.486 10 0 ADAERN O=C1Nc2ccoc2NC12CCCC2 75527622 572875746 /nfs/dbraw/zinc/87/57/46/572875746.db2.gz RQXYNJDNRKBVQU-UHFFFAOYSA-N 0 0 192.218 1.956 10 0 ADAERN CCc1ncnc2occ(N)c12 75522239 572875762 /nfs/dbraw/zinc/87/57/62/572875762.db2.gz WAGRPUYCLMPOQJ-UHFFFAOYSA-N 0 0 163.180 1.367 10 0 ADAERN CC1(C)Nc2cc(C=O)oc2NC1=O 75527267 572875780 /nfs/dbraw/zinc/87/57/80/572875780.db2.gz RSIBAZDTYGEJBD-UHFFFAOYSA-N 0 0 194.190 1.235 10 0 ADAERN CC[C@@H](CNCC(F)(F)F)OC 308155448 572875786 /nfs/dbraw/zinc/87/57/86/572875786.db2.gz OOBAUXZHOYUEQX-LURJTMIESA-N 0 0 185.189 1.563 10 0 ADAERN Cc1cc(-c2c(C=O)coc2N)no1 75526025 572875790 /nfs/dbraw/zinc/87/57/90/572875790.db2.gz XAZHGBAIVCKCCI-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN CCONC(=O)C1(CCF)CC1 308161522 572875804 /nfs/dbraw/zinc/87/58/04/572875804.db2.gz RPOSTLFKEBPXLD-UHFFFAOYSA-N 0 0 175.203 1.194 10 0 ADAERN CC(C)[C@]([NH3+])(CC(=O)[O-])C(C)(C)C 77273831 572875816 /nfs/dbraw/zinc/87/58/16/572875816.db2.gz WXOLQEOVSYFRHN-SNVBAGLBSA-N 0 0 187.283 1.861 10 0 ADAERN Nc1occ(C=O)c1-c1cncs1 75526137 572875817 /nfs/dbraw/zinc/87/58/17/572875817.db2.gz DCTUMTQKIQZCRM-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN CCOC(=O)CNCCCCCF 308161258 572875825 /nfs/dbraw/zinc/87/58/25/572875825.db2.gz WVDXMJDKQJWYHS-UHFFFAOYSA-N 0 0 191.246 1.279 10 0 ADAERN C[C@@H]1[NH2+]CCO[C@@H]1c1cccn1C 77268502 572875921 /nfs/dbraw/zinc/87/59/21/572875921.db2.gz WZGVQMHPYCLUPY-WPRPVWTQSA-N 0 0 180.251 1.075 10 0 ADAERN Cc1nn(C)cc1-c1cocc1C=O 75525692 572875836 /nfs/dbraw/zinc/87/58/36/572875836.db2.gz OJJWKWRZIXQTJL-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CC(C)[C@@H]1Nc2cc[nH]c2NC1=O 75528000 572875854 /nfs/dbraw/zinc/87/58/54/572875854.db2.gz NBWCKSLOPQLFIL-ZETCQYMHSA-N 0 0 179.223 1.403 10 0 ADAERN CC(C)Cc1cn(CC(=O)[O-])cn1 77269645 572875885 /nfs/dbraw/zinc/87/58/85/572875885.db2.gz CULQQXATIGPQKK-UHFFFAOYSA-N 0 0 182.223 1.166 10 0 ADAERN C[C@@H]1Nc2cc(C=O)sc2NC1=O 75527005 572875903 /nfs/dbraw/zinc/87/59/03/572875903.db2.gz BRRDXYXZVHGATF-BYPYZUCNSA-N 0 0 196.231 1.313 10 0 ADAERN Cc1cc(-c2cocc2C=O)n[nH]1 75525756 572875982 /nfs/dbraw/zinc/87/59/82/572875982.db2.gz NUOJNIMFMVOMHE-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CC1(C)Nc2c(coc2C=O)NC1=O 75527473 572875998 /nfs/dbraw/zinc/87/59/98/572875998.db2.gz XWOYYSWWBQMXLH-UHFFFAOYSA-N 0 0 194.190 1.235 10 0 ADAERN C/C=C/CCNC(=O)[C@@H](C)SC 308161482 572876022 /nfs/dbraw/zinc/87/60/22/572876022.db2.gz RKPBAJQFXXVKAI-WTSVBCDHSA-N 0 0 187.308 1.820 10 0 ADAERN CC(C)OCOc1cccnc1N 308155703 572876031 /nfs/dbraw/zinc/87/60/31/572876031.db2.gz TYSOPZMBXARINL-UHFFFAOYSA-N 0 0 182.223 1.425 10 0 ADAERN Nc1coc2ncnc(C3CC3)c12 75522250 572876053 /nfs/dbraw/zinc/87/60/53/572876053.db2.gz NKFBLZCALKMFCK-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CC(C)(C)/C=C\C(=O)NCCCO 308161569 572876057 /nfs/dbraw/zinc/87/60/57/572876057.db2.gz VGECMXBDAFHBOT-WAYWQWQTSA-N 0 0 185.267 1.087 10 0 ADAERN Cc1cnc(-c2c(C=O)coc2N)o1 75526101 572876119 /nfs/dbraw/zinc/87/61/19/572876119.db2.gz XRVSJJMNYDSNIS-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN Nc1c[nH]c2sncc12 75521065 572876102 /nfs/dbraw/zinc/87/61/02/572876102.db2.gz IEBYYKQXRXKTGT-UHFFFAOYSA-N 0 0 139.183 1.207 10 0 ADAERN Nc1occ(C=O)c1-c1cscn1 75526015 572876191 /nfs/dbraw/zinc/87/61/91/572876191.db2.gz AKZYTZITUDYEFF-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN COCc1nsc2occ(N)c12 75520195 572876158 /nfs/dbraw/zinc/87/61/58/572876158.db2.gz XBGUGRRHPSCRHB-UHFFFAOYSA-N 0 0 184.220 1.618 10 0 ADAERN CC(C)c1ncnc2occ(N)c12 75522242 572876132 /nfs/dbraw/zinc/87/61/32/572876132.db2.gz LLMWLQZDCVTRTF-UHFFFAOYSA-N 0 0 177.207 1.928 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[N@H+](C)C1CC1 77272360 572876169 /nfs/dbraw/zinc/87/61/69/572876169.db2.gz RBPGBKNFZWFZEI-SECBINFHSA-N 0 0 185.267 1.580 10 0 ADAERN O=Cc1cc2c(o1)N1CCC[C@H]1CN2 75527410 572876179 /nfs/dbraw/zinc/87/61/79/572876179.db2.gz PBOOKFOLQBIQIN-ZETCQYMHSA-N 0 0 192.218 1.486 10 0 ADAERN Nc1occ(C=O)c1C(F)(F)F 75525876 572876197 /nfs/dbraw/zinc/87/61/97/572876197.db2.gz HJOCBPOOCAULDA-UHFFFAOYSA-N 0 0 179.097 1.693 10 0 ADAERN Cc1coc(-c2c(C=O)coc2N)n1 75526097 572876217 /nfs/dbraw/zinc/87/62/17/572876217.db2.gz VKPCLIXUAVAWRV-UHFFFAOYSA-N 0 0 192.174 1.638 10 0 ADAERN CC1(C)Nc2coc(C=O)c2NC1=O 75527494 572876222 /nfs/dbraw/zinc/87/62/22/572876222.db2.gz PNINLFKGZHVHMU-UHFFFAOYSA-N 0 0 194.190 1.235 10 0 ADAERN CC[C@@H]1Nc2cc(C=O)oc2NC1=O 75527328 572876241 /nfs/dbraw/zinc/87/62/41/572876241.db2.gz UJHOWOAHYBDXIH-LURJTMIESA-N 0 0 194.190 1.235 10 0 ADAERN CC(O)=C1C[C@H](CC(C)C)OC1=O 77270960 572876257 /nfs/dbraw/zinc/87/62/57/572876257.db2.gz QKAVCBKBVYTMLJ-DTWKUNHWSA-N 0 0 184.235 1.553 10 0 ADAERN Cc1cc(C[NH3+])n(CCC(C)C)n1 77269132 572876387 /nfs/dbraw/zinc/87/63/87/572876387.db2.gz YOEFGXTWKCHMLL-UHFFFAOYSA-N 0 0 181.283 1.696 10 0 ADAERN CC[C@@H]1[C@@H](C)SCCN1C(N)=O 196569054 572876423 /nfs/dbraw/zinc/87/64/23/572876423.db2.gz PDMOIHMTODJISX-RNFRBKRXSA-N 0 0 188.296 1.281 10 0 ADAERN COC(Cc1cc[nH]c1)(OC)OC 77272300 572876461 /nfs/dbraw/zinc/87/64/61/572876461.db2.gz WMMZGUXDZKDGLV-UHFFFAOYSA-N 0 0 185.223 1.150 10 0 ADAERN C[C@@H]1NC2(CC2)C(=O)N1CC1(C)CC1 235386280 572876483 /nfs/dbraw/zinc/87/64/83/572876483.db2.gz IBWBSDWFDMVNPA-MRVPVSSYSA-N 0 0 194.278 1.097 10 0 ADAERN CC[C@H]1[C@H](C)SCCN1C(N)=O 196569045 572876488 /nfs/dbraw/zinc/87/64/88/572876488.db2.gz PDMOIHMTODJISX-BQBZGAKWSA-N 0 0 188.296 1.281 10 0 ADAERN Cc1cc(C[NH3+])nn1CCC(C)C 77269131 572876505 /nfs/dbraw/zinc/87/65/05/572876505.db2.gz ACSJBRWJISHVHH-UHFFFAOYSA-N 0 0 181.283 1.696 10 0 ADAERN CC(C)C[C@@]([NH3+])(CC(=O)[O-])C(C)C 77273815 572876553 /nfs/dbraw/zinc/87/65/53/572876553.db2.gz HIFJDLPMMYZYMF-SNVBAGLBSA-N 0 0 187.283 1.861 10 0 ADAERN CSCC(=O)OC[C@H](C)C1CC1 308162470 572876555 /nfs/dbraw/zinc/87/65/55/572876555.db2.gz SBCCRQOEGMOSEX-ZETCQYMHSA-N 0 0 188.292 1.939 10 0 ADAERN CC(C)[C@H](CO)C(=O)OCCCF 308158457 572876560 /nfs/dbraw/zinc/87/65/60/572876560.db2.gz SWAFSUMIBIRDDI-QMMMGPOBSA-N 0 0 192.230 1.154 10 0 ADAERN O=C(CC/C=C\CO)CCCCO 308162412 572876582 /nfs/dbraw/zinc/87/65/82/572876582.db2.gz NQFYJQLVPWXAHP-RJRFIUFISA-N 0 0 186.251 1.047 10 0 ADAERN C/C=C/C=C(\C)[C@](C)(O)[C@@H](C)CO 308162372 572876585 /nfs/dbraw/zinc/87/65/85/572876585.db2.gz NKFHPKKUQUHDJJ-BAHSGGDVSA-N 0 0 184.279 1.888 10 0 ADAERN C[C@@H]1[NH2+]CCO[C@H]1c1cccn1C 77268494 572876593 /nfs/dbraw/zinc/87/65/93/572876593.db2.gz WZGVQMHPYCLUPY-WCBMZHEXSA-N 0 0 180.251 1.075 10 0 ADAERN C[C@H]1[NH2+]CCO[C@H]1c1cccn1C 77268487 572876617 /nfs/dbraw/zinc/87/66/17/572876617.db2.gz WZGVQMHPYCLUPY-PSASIEDQSA-N 0 0 180.251 1.075 10 0 ADAERN C[C@H](O)c1cnnn1CCC1CC1 308162135 572876660 /nfs/dbraw/zinc/87/66/60/572876660.db2.gz XGLDJRCODLBQNA-ZETCQYMHSA-N 0 0 181.239 1.132 10 0 ADAERN C/C(=C/c1ccco1)[C@@H](O)[C@H](C)O 308157533 572876670 /nfs/dbraw/zinc/87/66/70/572876670.db2.gz SYCQZBGORGOFHM-USOKFJGMSA-N 0 0 182.219 1.425 10 0 ADAERN C[C@@]([NH3+])(CC(=O)[O-])Cc1ccco1 77270504 572876675 /nfs/dbraw/zinc/87/66/75/572876675.db2.gz QKZGUXMAKQDJCF-VIFPVBQESA-N 0 0 183.207 1.014 10 0 ADAERN CC(C)[NH2+][C@H](C(=O)[O-])c1cc[nH]c1 77269602 572876701 /nfs/dbraw/zinc/87/67/01/572876701.db2.gz MJCRWXCVEUHESE-QMMMGPOBSA-N 0 0 182.223 1.138 10 0 ADAERN CC(C)[C@@H](CO)C(=O)OCCCF 308158455 572876757 /nfs/dbraw/zinc/87/67/57/572876757.db2.gz SWAFSUMIBIRDDI-MRVPVSSYSA-N 0 0 192.230 1.154 10 0 ADAERN O=C([O-])[C@@H](NC1CC1)c1ccco1 77268690 572876763 /nfs/dbraw/zinc/87/67/63/572876763.db2.gz PAXOXDRHPPMFJX-QMMMGPOBSA-N 0 0 181.191 1.157 10 0 ADAERN Cc1cc(CCCCO)c(C)n1C 77269127 572876797 /nfs/dbraw/zinc/87/67/97/572876797.db2.gz BSDFCVXUPLLUQG-UHFFFAOYSA-N 0 0 181.279 1.957 10 0 ADAERN CC(=O)c1ccsc1NCCCO 308161986 572876810 /nfs/dbraw/zinc/87/68/10/572876810.db2.gz VNCPZLWSYGJFGJ-UHFFFAOYSA-N 0 0 199.275 1.745 10 0 ADAERN CNC(=O)[C@@H](C)SCCCCF 308157917 572876835 /nfs/dbraw/zinc/87/68/35/572876835.db2.gz PWJMUMFLHHFEFO-SSDOTTSWSA-N 0 0 193.287 1.604 10 0 ADAERN O=C(OCCCF)[C@@H]1CCCCO1 308158273 572876856 /nfs/dbraw/zinc/87/68/56/572876856.db2.gz CEOGCRHRAXHUAV-QMMMGPOBSA-N 0 0 190.214 1.458 10 0 ADAERN CN1Cc2ccc(O)cc2N1 75538760 572876910 /nfs/dbraw/zinc/87/69/10/572876910.db2.gz CWTBXSUGIKTDNC-UHFFFAOYSA-N 0 0 150.181 1.165 10 0 ADAERN C[NH2+]Cc1c(C)noc1CC(C)C 77269976 572876950 /nfs/dbraw/zinc/87/69/50/572876950.db2.gz OTHOFXBCUNMWBA-UHFFFAOYSA-N 0 0 182.267 1.901 10 0 ADAERN CC(O)=C1C[C@@H](CC(C)C)OC1=O 77270955 572876957 /nfs/dbraw/zinc/87/69/57/572876957.db2.gz QKAVCBKBVYTMLJ-RKDXNWHRSA-N 0 0 184.235 1.553 10 0 ADAERN CC(C)(O)CNCC(F)(F)C1CC1 308158503 572876959 /nfs/dbraw/zinc/87/69/59/572876959.db2.gz SYHPGFNLTYYPTI-UHFFFAOYSA-N 0 0 193.237 1.392 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])c1cc[nH]c1 77269608 572876970 /nfs/dbraw/zinc/87/69/70/572876970.db2.gz MJCRWXCVEUHESE-MRVPVSSYSA-N 0 0 182.223 1.138 10 0 ADAERN C=C=C[C@@H](O)C(C)(C)C(=O)OCC 308162394 572876987 /nfs/dbraw/zinc/87/69/87/572876987.db2.gz NODRFVNACJNSDJ-MRVPVSSYSA-N 0 0 184.235 1.278 10 0 ADAERN C/C=C\[C@H](OCOC)[C@@H](O)/C=C/C 308162359 572877005 /nfs/dbraw/zinc/87/70/05/572877005.db2.gz NIXMHUPGMPHESF-HLPZHXPJSA-N 0 0 186.251 1.489 10 0 ADAERN COCCOC(=O)[C@@H](F)C(C)C 307972556 572882238 /nfs/dbraw/zinc/88/22/38/572882238.db2.gz IDNZKDKYGTVILC-ZETCQYMHSA-N 0 0 178.203 1.170 10 0 ADAERN C[C@@H](CC(F)F)NC(=O)C1CCC1 308162295 572877030 /nfs/dbraw/zinc/87/70/30/572877030.db2.gz VVNLQLAFEYQACK-LURJTMIESA-N 0 0 191.221 1.946 10 0 ADAERN COCC[C@H](C)[C@@H](O)C(C)C 86183023 572877105 /nfs/dbraw/zinc/87/71/05/572877105.db2.gz NDTOKGRBFVWIGT-IUCAKERBSA-N 0 0 160.257 1.676 10 0 ADAERN CC(C)(C)/C=C/C(=O)NCC(F)F 308158449 572877191 /nfs/dbraw/zinc/87/71/91/572877191.db2.gz SVKIWEYPVIYOAK-SNAWJCMRSA-N 0 0 191.221 1.970 10 0 ADAERN CC(C)[C@@H]1Nc2c[nH]cc2NC1=O 75528108 572877215 /nfs/dbraw/zinc/87/72/15/572877215.db2.gz OYSVFGFUGLEEBE-QMMMGPOBSA-N 0 0 179.223 1.403 10 0 ADAERN O=C(CCCCF)c1ccnnc1 308162172 572877219 /nfs/dbraw/zinc/87/72/19/572877219.db2.gz XICUCNZTTUXBJX-UHFFFAOYSA-N 0 0 182.198 1.799 10 0 ADAERN CCCc1nc(N)ccc1O 75539554 572877249 /nfs/dbraw/zinc/87/72/49/572877249.db2.gz LGNYPHVUBKUZPA-UHFFFAOYSA-N 0 0 152.197 1.322 10 0 ADAERN CC[C@@H](COC)[C@H](O)C(C)C 86183413 572877281 /nfs/dbraw/zinc/87/72/81/572877281.db2.gz IBTFVKURFGFWBL-DTWKUNHWSA-N 0 0 160.257 1.676 10 0 ADAERN COCC[C@@H](C)C(=O)N1CCCC1 308158253 572877289 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/nfs/dbraw/zinc/88/07/48/572880748.db2.gz USJUTGKPBNAHGT-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN CSCCOC(=O)CC(C)(F)F 308159634 572880753 /nfs/dbraw/zinc/88/07/53/572880753.db2.gz QSGKHPLWOPSOEN-UHFFFAOYSA-N 0 0 198.234 1.938 10 0 ADAERN CCCc1c(CC)nc(N)nc1OC 75598250 572880775 /nfs/dbraw/zinc/88/07/75/572880775.db2.gz UECLGIIBEHSNFD-UHFFFAOYSA-N 0 0 195.266 1.582 10 0 ADAERN O[C@H](Cc1csnn1)CC1CCC1 308160395 572880776 /nfs/dbraw/zinc/88/07/76/572880776.db2.gz WKCALQLXCXUVJT-VIFPVBQESA-N 0 0 198.291 1.632 10 0 ADAERN CN1c2cn(C)cc2NC(=O)C1(C)C 75599724 572880782 /nfs/dbraw/zinc/88/07/82/572880782.db2.gz NPCOSKSEGAVZFG-UHFFFAOYSA-N 0 0 193.250 1.192 10 0 ADAERN CCCNC(=S)NCCC(F)F 308159156 572880783 /nfs/dbraw/zinc/88/07/83/572880783.db2.gz QLHGZKWJBQXBOI-UHFFFAOYSA-N 0 0 196.266 1.516 10 0 ADAERN CC(C)[C@H]1Oc2cc[nH]c2NC1=O 75599085 572880790 /nfs/dbraw/zinc/88/07/90/572880790.db2.gz HTGLMOFTYNKTDF-SSDOTTSWSA-N 0 0 180.207 1.370 10 0 ADAERN CCN1CCOc2cc(F)c(N)cc21 75599143 572880807 /nfs/dbraw/zinc/88/08/07/572880807.db2.gz GQCDBUSTVQNZHJ-UHFFFAOYSA-N 0 0 196.225 1.627 10 0 ADAERN CCOC(=O)[C@@](C)(O)[C@H](C)C(C)C 86165694 572880818 /nfs/dbraw/zinc/88/08/18/572880818.db2.gz WOAYBUAPUCAQAH-SCZZXKLOSA-N 0 0 188.267 1.593 10 0 ADAERN CC1(C)Sc2[nH]ccc2NC1=O 75599016 572880839 /nfs/dbraw/zinc/88/08/39/572880839.db2.gz NPZXJZFHYJKSHJ-UHFFFAOYSA-N 0 0 182.248 1.838 10 0 ADAERN C[C@@H]1NC(=O)C[C@]1(C)C[C@H]1CCCO1 689771693 572880844 /nfs/dbraw/zinc/88/08/44/572880844.db2.gz UQBPGODXCWKABN-NGZCFLSTSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@@H]1Sc2cc[nH]c2NC1=O 75599029 572880846 /nfs/dbraw/zinc/88/08/46/572880846.db2.gz FRFMQDXNJNFEID-BYPYZUCNSA-N 0 0 168.221 1.447 10 0 ADAERN CC(=O)[C@]1(C)N=C2CCC(C)=C2O1 196574631 572882242 /nfs/dbraw/zinc/88/22/42/572882242.db2.gz PULCOFNMPHXMDY-SNVBAGLBSA-N 0 0 179.219 1.831 10 0 ADAERN CCO[C@H]1C[C@H]1C(=O)OC1CC1 307972015 572880865 /nfs/dbraw/zinc/88/08/65/572880865.db2.gz HSZNNSOMLHQWLY-SFYZADRCSA-N 0 0 170.208 1.117 10 0 ADAERN C[C@@H]1CN(C)c2cn(C)cc2N1 75600052 572880902 /nfs/dbraw/zinc/88/09/02/572880902.db2.gz KZZPZQROXOQSFX-SSDOTTSWSA-N 0 0 165.240 1.275 10 0 ADAERN CC(=O)N1C[C@H](C)Sc2[nH]ccc21 75599640 572880906 /nfs/dbraw/zinc/88/09/06/572880906.db2.gz XNWSZZUICITMKN-LURJTMIESA-N 0 0 196.275 1.862 10 0 ADAERN O=C1CSc2c[nH]cc2N1 75599199 572880911 /nfs/dbraw/zinc/88/09/11/572880911.db2.gz LVUZZAOMGJULKB-UHFFFAOYSA-N 0 0 154.194 1.059 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)OC1COC1 308165230 572883218 /nfs/dbraw/zinc/88/32/18/572883218.db2.gz XHTMKLQXVPPXPP-IUCAKERBSA-N 0 0 184.235 1.221 10 0 ADAERN CC(=O)N1C[C@@H](C)Nc2cn(C)cc21 75600090 572880928 /nfs/dbraw/zinc/88/09/28/572880928.db2.gz KHYKUOHFMIILKD-SSDOTTSWSA-N 0 0 193.250 1.192 10 0 ADAERN CC/C=C\C(=O)O[C@H](C)C(C)=O 307972069 572880934 /nfs/dbraw/zinc/88/09/34/572880934.db2.gz HWBXBXDXMZLKNV-RPSMYOMKSA-N 0 0 170.208 1.473 10 0 ADAERN C[C@H]1Sc2cc[nH]c2NC1=O 75599027 572880949 /nfs/dbraw/zinc/88/09/49/572880949.db2.gz FRFMQDXNJNFEID-SCSAIBSYSA-N 0 0 168.221 1.447 10 0 ADAERN CC(C)CNC(=S)N[C@H](C)CF 307967757 572880982 /nfs/dbraw/zinc/88/09/82/572880982.db2.gz TUMQANIJKPLYSR-SSDOTTSWSA-N 0 0 192.303 1.465 10 0 ADAERN CC1(C)CNc2cc[nH]c2O1 75599440 572881039 /nfs/dbraw/zinc/88/10/39/572881039.db2.gz RSLSUXJWJLNEKH-UHFFFAOYSA-N 0 0 152.197 1.598 10 0 ADAERN C[NH2+]CCCc1ccccc1C(=O)[O-] 214731204 572881070 /nfs/dbraw/zinc/88/10/70/572881070.db2.gz LCKALVKPCURHOZ-UHFFFAOYSA-N 0 0 193.246 1.537 10 0 ADAERN CC(=O)N1CCSc2[nH]ccc21 75599643 572881075 /nfs/dbraw/zinc/88/10/75/572881075.db2.gz DAWPNVVKYCDIKN-UHFFFAOYSA-N 0 0 182.248 1.473 10 0 ADAERN CN1CC(C)(C)Oc2[nH]ccc21 75599313 572881082 /nfs/dbraw/zinc/88/10/82/572881082.db2.gz JWDYBHDGIDIYHD-UHFFFAOYSA-N 0 0 166.224 1.622 10 0 ADAERN O=Cc1cccc2c1CNC(=S)O2 214727229 572881094 /nfs/dbraw/zinc/88/10/94/572881094.db2.gz IFDWLDSDSBDPNZ-UHFFFAOYSA-N 0 0 193.227 1.266 10 0 ADAERN CCCOC(=O)NOCC(C)C 307972630 572881100 /nfs/dbraw/zinc/88/11/00/572881100.db2.gz ZIGSXKJMQUWZJL-UHFFFAOYSA-N 0 0 175.228 1.710 10 0 ADAERN CCOC(=O)[C@](C)(O)C(CC)CC 86165713 572881108 /nfs/dbraw/zinc/88/11/08/572881108.db2.gz MTIYPACJTVMTHV-SNVBAGLBSA-N 0 0 188.267 1.737 10 0 ADAERN CC(C)COCC[NH2+]C1CSC1 307971800 572881118 /nfs/dbraw/zinc/88/11/18/572881118.db2.gz YKKYOKNOTNBIBH-UHFFFAOYSA-N 0 0 189.324 1.364 10 0 ADAERN C[C@H]1CNc2c[nH]cc2S1 75599567 572881121 /nfs/dbraw/zinc/88/11/21/572881121.db2.gz AYFGMPGTDIXMGI-YFKPBYRVSA-N 0 0 154.238 1.921 10 0 ADAERN CC(C)[C@@H]1CN(C)c2cc[nH]c2O1 75599261 572881129 /nfs/dbraw/zinc/88/11/29/572881129.db2.gz HEPAGLLCEPWSBU-VIFPVBQESA-N 0 0 180.251 1.868 10 0 ADAERN O=Cc1ccc2c(c1)CNC(=S)O2 214726784 572881133 /nfs/dbraw/zinc/88/11/33/572881133.db2.gz MISRKVPADMJOMO-UHFFFAOYSA-N 0 0 193.227 1.266 10 0 ADAERN C[C@H](O)c1cnnn1CCCCF 308160632 572883221 /nfs/dbraw/zinc/88/32/21/572883221.db2.gz WNYRFXDSMCFFND-ZETCQYMHSA-N 0 0 187.218 1.081 10 0 ADAERN CC[C@](C)(CO)CO[C@H]1CCOC1 308160718 572883117 /nfs/dbraw/zinc/88/31/17/572883117.db2.gz WQCYPJZZTXUHLV-VHSXEESVSA-N 0 0 188.267 1.201 10 0 ADAERN CCOc1ccc(C(=O)C=O)cc1F 75598720 572881191 /nfs/dbraw/zinc/88/11/91/572881191.db2.gz NYBFFNMYBIRRNG-UHFFFAOYSA-N 0 0 196.177 1.606 10 0 ADAERN CC(C)[C@H]1CNc2c[nH]cc2N1 75598186 572881197 /nfs/dbraw/zinc/88/11/97/572881197.db2.gz OMGPIZDTCMIKKW-SSDOTTSWSA-N 0 0 165.240 1.877 10 0 ADAERN CCOC(=O)[C@@](O)(CC)[C@H](C)CC 86165901 572881216 /nfs/dbraw/zinc/88/12/16/572881216.db2.gz ILXSYIOYGXKJQH-PSASIEDQSA-N 0 0 188.267 1.737 10 0 ADAERN CCCc1nc(N)nc(OC)c1CC 75598244 572881229 /nfs/dbraw/zinc/88/12/29/572881229.db2.gz PSHHWGDAXMKIEU-UHFFFAOYSA-N 0 0 195.266 1.582 10 0 ADAERN O=Cc1ccc2c(c1)OC(=S)NC2 214726931 572881259 /nfs/dbraw/zinc/88/12/59/572881259.db2.gz IZEFTMNPDGVNAI-UHFFFAOYSA-N 0 0 193.227 1.266 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]1(C)C[C@@H]1CCCO1 689771677 572881267 /nfs/dbraw/zinc/88/12/67/572881267.db2.gz UQBPGODXCWKABN-ATZCPNFKSA-N 0 0 197.278 1.470 10 0 ADAERN CC(=O)N1C[C@@H](C)Nc2c[nH]cc21 75598882 572881271 /nfs/dbraw/zinc/88/12/71/572881271.db2.gz MNRFEZBPACIDSR-ZCFIWIBFSA-N 0 0 179.223 1.182 10 0 ADAERN CN1CCSc2[nH]ccc21 75599613 572881275 /nfs/dbraw/zinc/88/12/75/572881275.db2.gz JEAMNSWZNXTUBJ-UHFFFAOYSA-N 0 0 154.238 1.557 10 0 ADAERN CC(C)C[C@H](C)N(C)C(=O)[C@H](C)O 308165208 572883261 /nfs/dbraw/zinc/88/32/61/572883261.db2.gz XGTNNINTEKSBQD-IUCAKERBSA-N 0 0 187.283 1.260 10 0 ADAERN COC(=O)N[C@@H](C(F)F)C1CC1 308160300 572881777 /nfs/dbraw/zinc/88/17/77/572881777.db2.gz QZHLBFWPSZQRQJ-RXMQYKEDSA-N 0 0 179.166 1.386 10 0 ADAERN C[C@H]1CN(C)c2cn(C)cc2N1 75600054 572881285 /nfs/dbraw/zinc/88/12/85/572881285.db2.gz KZZPZQROXOQSFX-ZETCQYMHSA-N 0 0 165.240 1.275 10 0 ADAERN CC(C)CNC(=S)N[C@@H](C)CF 307967759 572881302 /nfs/dbraw/zinc/88/13/02/572881302.db2.gz TUMQANIJKPLYSR-ZETCQYMHSA-N 0 0 192.303 1.465 10 0 ADAERN CC(C)[C@H]1Oc2[nH]ccc2NC1=O 75598952 572881312 /nfs/dbraw/zinc/88/13/12/572881312.db2.gz PEFRASSZGHFQDP-SSDOTTSWSA-N 0 0 180.207 1.370 10 0 ADAERN CC(=O)N1C[C@@H](C)Sc2[nH]ccc21 75599639 572881336 /nfs/dbraw/zinc/88/13/36/572881336.db2.gz XNWSZZUICITMKN-ZCFIWIBFSA-N 0 0 196.275 1.862 10 0 ADAERN C[C@H]1CN(C)c2ccn(C)c2S1 75600444 572883120 /nfs/dbraw/zinc/88/31/20/572883120.db2.gz GXHUBEZKGKSBQT-ZETCQYMHSA-N 0 0 182.292 1.956 10 0 ADAERN CC(C)[C@@H]1CNc2cc[nH]c2O1 75599395 572881356 /nfs/dbraw/zinc/88/13/56/572881356.db2.gz IAJDJCDOXNXAPM-QMMMGPOBSA-N 0 0 166.224 1.844 10 0 ADAERN C[C@H](O)CCCCC(=O)C1CC1 307971929 572881362 /nfs/dbraw/zinc/88/13/62/572881362.db2.gz YNIGIECYVFCHEP-QMMMGPOBSA-N 0 0 170.252 1.907 10 0 ADAERN Cn1ccc2c1NC(C)(C)CN2 75599847 572881404 /nfs/dbraw/zinc/88/14/04/572881404.db2.gz CSPMTMCBOWIMMZ-UHFFFAOYSA-N 0 0 165.240 1.641 10 0 ADAERN CC1(C)Oc2cc[nH]c2NC1=O 75599127 572881415 /nfs/dbraw/zinc/88/14/15/572881415.db2.gz PXACIJGFMSGOKP-UHFFFAOYSA-N 0 0 166.180 1.124 10 0 ADAERN C/C=C/C(=O)N(CCO)[C@@H](C)CC 308160461 572881417 /nfs/dbraw/zinc/88/14/17/572881417.db2.gz WMOJUGGEIJUUEP-DNQSNQRASA-N 0 0 185.267 1.182 10 0 ADAERN COC(=O)N[C@H](C(F)F)C1CC1 308160308 572881421 /nfs/dbraw/zinc/88/14/21/572881421.db2.gz QZHLBFWPSZQRQJ-YFKPBYRVSA-N 0 0 179.166 1.386 10 0 ADAERN CCOC(=O)[C@@](O)(CC)[C@@H](C)CC 86165904 572881427 /nfs/dbraw/zinc/88/14/27/572881427.db2.gz ILXSYIOYGXKJQH-WCBMZHEXSA-N 0 0 188.267 1.737 10 0 ADAERN CC(=O)N1C[C@H](C)Oc2[nH]ccc21 75599349 572881428 /nfs/dbraw/zinc/88/14/28/572881428.db2.gz SPMSSRFSJZCRLX-LURJTMIESA-N 0 0 180.207 1.149 10 0 ADAERN CCOC(=O)[C@](C)(O)[C@H](C)C(C)C 86165692 572881441 /nfs/dbraw/zinc/88/14/41/572881441.db2.gz WOAYBUAPUCAQAH-PSASIEDQSA-N 0 0 188.267 1.593 10 0 ADAERN CC(=O)N1CCSc2c[nH]cc21 75599647 572881465 /nfs/dbraw/zinc/88/14/65/572881465.db2.gz NIFDJHHVCAGEAO-UHFFFAOYSA-N 0 0 182.248 1.473 10 0 ADAERN C[C@H]1CNc2ccn(C)c2N1 75599806 572881503 /nfs/dbraw/zinc/88/15/03/572881503.db2.gz KOODQYRDNGGDTG-LURJTMIESA-N 0 0 151.213 1.251 10 0 ADAERN CNC1(C(=O)OC(C)C)CCC1 307968004 572881510 /nfs/dbraw/zinc/88/15/10/572881510.db2.gz UGZRTFVHDNIMPD-UHFFFAOYSA-N 0 0 171.240 1.080 10 0 ADAERN CC(C)(CF)NC(=O)/C=C/C1CC1 308160250 572881515 /nfs/dbraw/zinc/88/15/15/572881515.db2.gz UPPGYHBBBQKVGR-AATRIKPKSA-N 0 0 185.242 1.817 10 0 ADAERN COc1c(O)cc(C)cc1OC(C)=O 75598781 572881522 /nfs/dbraw/zinc/88/15/22/572881522.db2.gz VGHQYOLVAZGBGO-UHFFFAOYSA-N 0 0 196.202 1.635 10 0 ADAERN CCC(CC)n1nncc1[C@H](C)O 308160472 572881529 /nfs/dbraw/zinc/88/15/29/572881529.db2.gz WNBXBMYYAFOCQX-ZETCQYMHSA-N 0 0 183.255 1.693 10 0 ADAERN CNC(=O)[C@H](C)SCCC(C)C 308159778 572881539 /nfs/dbraw/zinc/88/15/39/572881539.db2.gz QUGCTEWNLCTESK-QMMMGPOBSA-N 0 0 189.324 1.900 10 0 ADAERN O=C1Nc2[nH]ccc2OC12CCCC2 75599134 572881544 /nfs/dbraw/zinc/88/15/44/572881544.db2.gz OBYOTOWZFPFJIF-UHFFFAOYSA-N 0 0 192.218 1.658 10 0 ADAERN COC(=O)n1nc(C(C)(C)C)cc1N 75599909 572881566 /nfs/dbraw/zinc/88/15/66/572881566.db2.gz RYJPWBJZNYRHLJ-UHFFFAOYSA-N 0 0 197.238 1.377 10 0 ADAERN CC(=O)N1C[C@H](C)Nc2cn(C)cc21 75600092 572881574 /nfs/dbraw/zinc/88/15/74/572881574.db2.gz KHYKUOHFMIILKD-ZETCQYMHSA-N 0 0 193.250 1.192 10 0 ADAERN CCOC(=O)[C@](O)(CC)C(C)C 86165942 572881580 /nfs/dbraw/zinc/88/15/80/572881580.db2.gz VABYFZVTDGZSFU-VIFPVBQESA-N 0 0 174.240 1.347 10 0 ADAERN C[C@H]1Sc2[nH]ccc2NC1=O 75598996 572881587 /nfs/dbraw/zinc/88/15/87/572881587.db2.gz HUWAZOMFWLEIKU-SCSAIBSYSA-N 0 0 168.221 1.447 10 0 ADAERN Cn1cc2c(c1)NC(C)(C)CN2 75599966 572881591 /nfs/dbraw/zinc/88/15/91/572881591.db2.gz UVSOEHONDHZGGY-UHFFFAOYSA-N 0 0 165.240 1.641 10 0 ADAERN CC(C)[C@@H]1CN(C)c2c[nH]cc2N1 75598748 572881631 /nfs/dbraw/zinc/88/16/31/572881631.db2.gz QZGWUYUVEBGSHL-VIFPVBQESA-N 0 0 179.267 1.901 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1COC(=O)[C@H](C)O 308160337 572881637 /nfs/dbraw/zinc/88/16/37/572881637.db2.gz USRAHSFUXZGHRU-YIZRAAEISA-N 0 0 186.251 1.203 10 0 ADAERN Nc1cnncc1C(=O)c1ccccc1 75601135 572883132 /nfs/dbraw/zinc/88/31/32/572883132.db2.gz KFUJTCIGPOXOLX-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN CCOC(=O)Cc1c(O)cccc1O 75598850 572881657 /nfs/dbraw/zinc/88/16/57/572881657.db2.gz NMIUATYHABADCW-UHFFFAOYSA-N 0 0 196.202 1.203 10 0 ADAERN CC/C=C/C(=O)O[C@H](C)C(C)=O 307972068 572881661 /nfs/dbraw/zinc/88/16/61/572881661.db2.gz HWBXBXDXMZLKNV-HQZHTGGTSA-N 0 0 170.208 1.473 10 0 ADAERN O=Cc1cccc2c1OC(=S)NC2 214727078 572881671 /nfs/dbraw/zinc/88/16/71/572881671.db2.gz ZBLMLTGNEYRLKE-UHFFFAOYSA-N 0 0 193.227 1.266 10 0 ADAERN CCOc1cccc(O)c1C(=O)OC 75598890 572881683 /nfs/dbraw/zinc/88/16/83/572881683.db2.gz PAJZHLVZPIAHRU-UHFFFAOYSA-N 0 0 196.202 1.578 10 0 ADAERN COc1cc(N)cc2c1OC(C)(C)C2 214731001 572881687 /nfs/dbraw/zinc/88/16/87/572881687.db2.gz VOXUTKXZEYBRGH-UHFFFAOYSA-N 0 0 193.246 1.991 10 0 ADAERN O[C@@H]1CCCc2ncsc21 50330954 572881692 /nfs/dbraw/zinc/88/16/92/572881692.db2.gz RPPWDWJAMDYUHN-ZCFIWIBFSA-N 0 0 155.222 1.513 10 0 ADAERN CCOC(=O)C[C@H](C)/C=C\CCO 308165064 572883163 /nfs/dbraw/zinc/88/31/63/572883163.db2.gz QHKMNGUQCZILBA-XTULLQBASA-N 0 0 186.251 1.514 10 0 ADAERN CCOC(=O)[C@](C)(O)[C@@H](C)C(C)C 86165688 572881707 /nfs/dbraw/zinc/88/17/07/572881707.db2.gz WOAYBUAPUCAQAH-WCBMZHEXSA-N 0 0 188.267 1.593 10 0 ADAERN CCNC(=O)/C=C\c1cc[nH]c1 307967696 572881720 /nfs/dbraw/zinc/88/17/20/572881720.db2.gz DHPZYCYMSWRRRV-ARJAWSKDSA-N 0 0 164.208 1.164 10 0 ADAERN CSCCn1ccc([C@@H](C)O)n1 308159789 572881722 /nfs/dbraw/zinc/88/17/22/572881722.db2.gz QVOPEMLMKOGNCR-SSDOTTSWSA-N 0 0 186.280 1.299 10 0 ADAERN CC/C=C\C(=O)N(C)CCOCC 308159227 572881804 /nfs/dbraw/zinc/88/18/04/572881804.db2.gz CQFYSJAIFGXFIZ-SREVYHEPSA-N 0 0 185.267 1.448 10 0 ADAERN CC/C=C/C(=O)N(C)CCOCC 308159228 572881807 /nfs/dbraw/zinc/88/18/07/572881807.db2.gz CQFYSJAIFGXFIZ-VOTSOKGWSA-N 0 0 185.267 1.448 10 0 ADAERN CCC[C@H](C)[C@@](C)(O)C(=O)OCC 86165740 572881857 /nfs/dbraw/zinc/88/18/57/572881857.db2.gz PVQVFVMSKYFOJV-WCBMZHEXSA-N 0 0 188.267 1.737 10 0 ADAERN CC1(C)Sc2c[nH]cc2NC1=O 75599200 572881867 /nfs/dbraw/zinc/88/18/67/572881867.db2.gz RQWVESYNNDSUJF-UHFFFAOYSA-N 0 0 182.248 1.838 10 0 ADAERN CC(=O)N1C[C@H](C)Sc2c[nH]cc21 75599646 572881870 /nfs/dbraw/zinc/88/18/70/572881870.db2.gz LSMYMIKTWJGOCU-LURJTMIESA-N 0 0 196.275 1.862 10 0 ADAERN CC(=O)N1C[C@@H](C)Sc2c[nH]cc21 75599645 572881883 /nfs/dbraw/zinc/88/18/83/572881883.db2.gz LSMYMIKTWJGOCU-ZCFIWIBFSA-N 0 0 196.275 1.862 10 0 ADAERN C[C@H]1CN[C@@H](c2ccco2)CO1 71496159 572883197 /nfs/dbraw/zinc/88/31/97/572883197.db2.gz NTRIFBSMIPBEBW-JGVFFNPUSA-N 0 0 167.208 1.329 10 0 ADAERN CC(C)S(=O)(=O)N(C)CCCF 307967853 572881916 /nfs/dbraw/zinc/88/19/16/572881916.db2.gz UAETYGMLPGFKOE-UHFFFAOYSA-N 0 0 197.275 1.016 10 0 ADAERN CC1(C)Sc2cc[nH]c2NC1=O 75599044 572881922 /nfs/dbraw/zinc/88/19/22/572881922.db2.gz GVMANUWFVGEGBB-UHFFFAOYSA-N 0 0 182.248 1.838 10 0 ADAERN CCOC(=O)[C@](O)(CC)[C@H](C)CC 86165898 572881930 /nfs/dbraw/zinc/88/19/30/572881930.db2.gz ILXSYIOYGXKJQH-SCZZXKLOSA-N 0 0 188.267 1.737 10 0 ADAERN CN1CC(C)(C)Nc2c[nH]cc21 75598783 572881940 /nfs/dbraw/zinc/88/19/40/572881940.db2.gz RYRNVGHADGVJSZ-UHFFFAOYSA-N 0 0 165.240 1.655 10 0 ADAERN CC(C)[C@H]1CN(C)c2cc[nH]c2O1 75599267 572881966 /nfs/dbraw/zinc/88/19/66/572881966.db2.gz HEPAGLLCEPWSBU-SECBINFHSA-N 0 0 180.251 1.868 10 0 ADAERN C[C@@H]1C[C@H]([C@H](O)CCCCF)CO1 308158663 572881969 /nfs/dbraw/zinc/88/19/69/572881969.db2.gz VMXMFYXLCXNFMJ-KXUCPTDWSA-N 0 0 190.258 1.912 10 0 ADAERN C[C@@H](O)CCCCC(=O)C1CC1 307971928 572881990 /nfs/dbraw/zinc/88/19/90/572881990.db2.gz YNIGIECYVFCHEP-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN CCCOC(=O)Cc1ccon1 307972094 572881993 /nfs/dbraw/zinc/88/19/93/572881993.db2.gz HXEKTCIUSBZMRJ-UHFFFAOYSA-N 0 0 169.180 1.170 10 0 ADAERN CC(C)[C@H]1CN(C)c2cn(C)cc2N1 75600059 572882001 /nfs/dbraw/zinc/88/20/01/572882001.db2.gz DVNPUGGAIFDLHL-SECBINFHSA-N 0 0 193.294 1.911 10 0 ADAERN C[C@@H]1Sc2c[nH]cc2NC1=O 75599187 572882005 /nfs/dbraw/zinc/88/20/05/572882005.db2.gz QLXBCJNQZLFYME-BYPYZUCNSA-N 0 0 168.221 1.447 10 0 ADAERN CCO[C@@H]1C[C@H]1[NH2+]CCSCC 307971725 572882007 /nfs/dbraw/zinc/88/20/07/572882007.db2.gz HQHCPJKXOLAYQG-RKDXNWHRSA-N 0 0 189.324 1.507 10 0 ADAERN NN[C@@H](CCCCF)c1ccco1 308159438 572882019 /nfs/dbraw/zinc/88/20/19/572882019.db2.gz VVHHNPRRJQSYOV-QMMMGPOBSA-N 0 0 186.230 1.924 10 0 ADAERN CC(C)CCC(=O)OC1COC1 307967834 572882037 /nfs/dbraw/zinc/88/20/37/572882037.db2.gz TXVJLPBFCNBEGY-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN C[C@H]1CN(C)c2cc[nH]c2O1 75599259 572882040 /nfs/dbraw/zinc/88/20/40/572882040.db2.gz ZCSOWVQOUWTMIT-LURJTMIESA-N 0 0 152.197 1.232 10 0 ADAERN CSCCn1ccc([C@H](C)O)n1 308159790 572882087 /nfs/dbraw/zinc/88/20/87/572882087.db2.gz QVOPEMLMKOGNCR-ZETCQYMHSA-N 0 0 186.280 1.299 10 0 ADAERN CC(C)[C@@H]1CNc2c[nH]cc2N1 75598182 572882099 /nfs/dbraw/zinc/88/20/99/572882099.db2.gz OMGPIZDTCMIKKW-ZETCQYMHSA-N 0 0 165.240 1.877 10 0 ADAERN C[C@H]1Sc2c[nH]cc2NC1=O 75599185 572882102 /nfs/dbraw/zinc/88/21/02/572882102.db2.gz QLXBCJNQZLFYME-SCSAIBSYSA-N 0 0 168.221 1.447 10 0 ADAERN CC(C)[C@H]1CNc2cn(C)cc2N1 75599921 572882107 /nfs/dbraw/zinc/88/21/07/572882107.db2.gz KAGLDXYAVNZIBK-MRVPVSSYSA-N 0 0 179.267 1.887 10 0 ADAERN C[C@H]1CN(C)c2c[nH]cc2N1 75598745 572882112 /nfs/dbraw/zinc/88/21/12/572882112.db2.gz FHDWNCDCLMYJFT-LURJTMIESA-N 0 0 151.213 1.265 10 0 ADAERN C[C@@H]1CN[C@H](c2ccco2)O1 71495466 572882125 /nfs/dbraw/zinc/88/21/25/572882125.db2.gz JQFZOXLYEUPAQI-SVRRBLITSA-N 0 0 153.181 1.287 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)OC1CC1 307971798 572882131 /nfs/dbraw/zinc/88/21/31/572882131.db2.gz HSZNNSOMLHQWLY-JGVFFNPUSA-N 0 0 170.208 1.117 10 0 ADAERN CCO[C@@H]1C[C@@H]1[NH2+]CCSCC 307971721 572882183 /nfs/dbraw/zinc/88/21/83/572882183.db2.gz HQHCPJKXOLAYQG-DTWKUNHWSA-N 0 0 189.324 1.507 10 0 ADAERN CC1CC(OC(=O)COC(C)C)C1 308158911 572882211 /nfs/dbraw/zinc/88/22/11/572882211.db2.gz TWPROQCLBQYSCG-UHFFFAOYSA-N 0 0 186.251 1.753 10 0 ADAERN O=C(/C=C\C1CCC1)N1CCC1 308159851 572882222 /nfs/dbraw/zinc/88/22/22/572882222.db2.gz QWIHAGQVEMQDLZ-WAYWQWQTSA-N 0 0 165.236 1.575 10 0 ADAERN CCCCN(C)c1ccnn1C 307972075 572882269 /nfs/dbraw/zinc/88/22/69/572882269.db2.gz HWKRTVFFTWTFDL-UHFFFAOYSA-N 0 0 167.256 1.656 10 0 ADAERN CNC(=O)[C@@H](C)SCCC(C)C 308159777 572882270 /nfs/dbraw/zinc/88/22/70/572882270.db2.gz QUGCTEWNLCTESK-MRVPVSSYSA-N 0 0 189.324 1.900 10 0 ADAERN CC[C@](C)(C(C)=O)N(C)CC(F)F 308159988 572882275 /nfs/dbraw/zinc/88/22/75/572882275.db2.gz WESBTPFCWVIHBI-SECBINFHSA-N 0 0 193.237 1.941 10 0 ADAERN C[C@@H]1CN(C)c2ccn(C)c2S1 75600443 572882336 /nfs/dbraw/zinc/88/23/36/572882336.db2.gz GXHUBEZKGKSBQT-SSDOTTSWSA-N 0 0 182.292 1.956 10 0 ADAERN C/C=C(C)/C=C/C(=O)N(C)OC 307967756 572882355 /nfs/dbraw/zinc/88/23/55/572882355.db2.gz DKDXPUWZXVDXAR-ZCOYIIAOSA-N 0 0 169.224 1.529 10 0 ADAERN CCOC(=O)[C@@](C)(O)C1CCCC1 86165645 572882369 /nfs/dbraw/zinc/88/23/69/572882369.db2.gz OLFRYODXHKATOI-JTQLQIEISA-N 0 0 186.251 1.491 10 0 ADAERN Cn1ccc2c1NC(=O)C(C)(C)O2 75600177 572882374 /nfs/dbraw/zinc/88/23/74/572882374.db2.gz OPAHYDIUTBSEGQ-UHFFFAOYSA-N 0 0 180.207 1.135 10 0 ADAERN CCCCNC(=O)[C@@H]1CC1(C)C 307967802 572882384 /nfs/dbraw/zinc/88/23/84/572882384.db2.gz DMBLCBXXHWURBQ-QMMMGPOBSA-N 0 0 169.268 1.949 10 0 ADAERN CN(CC[NH+](C)C)c1cccc(O)c1 118787652 572882433 /nfs/dbraw/zinc/88/24/33/572882433.db2.gz AGWCCJRPMDRAGE-UHFFFAOYSA-N 0 0 194.278 1.390 10 0 ADAERN Nc1c(-c2c[nH]nn2)cn2ccccc12 75600805 572882477 /nfs/dbraw/zinc/88/24/77/572882477.db2.gz XPNLCDGRRGABJY-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN CN1CCSc2c1ccn2C 75600453 572882504 /nfs/dbraw/zinc/88/25/04/572882504.db2.gz SLIDKHNPSVJCCK-UHFFFAOYSA-N 0 0 168.265 1.567 10 0 ADAERN Nc1ccc2c3c(cccc13)[C@H](O)C2=O 238615685 572882512 /nfs/dbraw/zinc/88/25/12/572882512.db2.gz SJHOZPYHVZIGPC-NSHDSACASA-N 0 0 199.209 1.652 10 0 ADAERN CC(C)(C)[C@H](O)[C@H](O)CCCCF 308165173 572882516 /nfs/dbraw/zinc/88/25/16/572882516.db2.gz ZASLOQIAVBXBEB-RKDXNWHRSA-N 0 0 192.274 1.894 10 0 ADAERN COC(=O)CCc1ccc(C=O)s1 75600586 572882543 /nfs/dbraw/zinc/88/25/43/572882543.db2.gz CXZKRTVZHMXNJD-UHFFFAOYSA-N 0 0 198.243 1.666 10 0 ADAERN Nc1ccc2c3c(cccc13)[C@@H](O)C2=O 238615707 572882561 /nfs/dbraw/zinc/88/25/61/572882561.db2.gz SJHOZPYHVZIGPC-LLVKDONJSA-N 0 0 199.209 1.652 10 0 ADAERN C[C@@H]1Sc2ccn(C)c2NC1=O 75600142 572882565 /nfs/dbraw/zinc/88/25/65/572882565.db2.gz FWYZHKVUYWLZHD-YFKPBYRVSA-N 0 0 182.248 1.458 10 0 ADAERN CCOC(=O)[C@](C)(O)[C@H](C)CC 86165619 572882567 /nfs/dbraw/zinc/88/25/67/572882567.db2.gz ZRBCBFIQERCPAH-VXNVDRBHSA-N 0 0 174.240 1.347 10 0 ADAERN CCC[C@H](C)[C@](C)(O)C(=O)OCC 86165734 572882573 /nfs/dbraw/zinc/88/25/73/572882573.db2.gz PVQVFVMSKYFOJV-WPRPVWTQSA-N 0 0 188.267 1.737 10 0 ADAERN COc1ccncc1CNCCF 308165140 572882580 /nfs/dbraw/zinc/88/25/80/572882580.db2.gz YYZTWNNNSOLUCL-UHFFFAOYSA-N 0 0 184.214 1.149 10 0 ADAERN CC[C@H](O)[C@@H](C)C[C@@H](C)C(=O)OC 308164979 572882611 /nfs/dbraw/zinc/88/26/11/572882611.db2.gz PVRVDYRELLWDFW-YIZRAAEISA-N 0 0 188.267 1.593 10 0 ADAERN CC(C)[C@H]1CN(C)c2ccn(C)c2O1 75600247 572882654 /nfs/dbraw/zinc/88/26/54/572882654.db2.gz MNTGTQVUZKMPRG-SNVBAGLBSA-N 0 0 194.278 1.878 10 0 ADAERN CCO[C@H]1C[C@H]1[NH2+]CCSCC 307971719 572882660 /nfs/dbraw/zinc/88/26/60/572882660.db2.gz HQHCPJKXOLAYQG-BDAKNGLRSA-N 0 0 189.324 1.507 10 0 ADAERN CC(C)[C@H]1C[C@H]1C(=O)OC1COC1 308165231 572882674 /nfs/dbraw/zinc/88/26/74/572882674.db2.gz XHTMKLQXVPPXPP-RKDXNWHRSA-N 0 0 184.235 1.221 10 0 ADAERN CC(=O)c1ocnc1C(F)(F)F 75600546 572882692 /nfs/dbraw/zinc/88/26/92/572882692.db2.gz YUTKMFFEJXFMCF-UHFFFAOYSA-N 0 0 179.097 1.896 10 0 ADAERN C[NH2+][C@H](C)Cc1ccccc1C(=O)[O-] 214731127 572882769 /nfs/dbraw/zinc/88/27/69/572882769.db2.gz CDQCJCHKTBMCMX-MRVPVSSYSA-N 0 0 193.246 1.535 10 0 ADAERN CC[C@](C)(CO)CO[C@@H]1CCOC1 308160714 572882772 /nfs/dbraw/zinc/88/27/72/572882772.db2.gz WQCYPJZZTXUHLV-NXEZZACHSA-N 0 0 188.267 1.201 10 0 ADAERN Cn1ccc2c1NC(=O)C(C)(C)S2 75600154 572882778 /nfs/dbraw/zinc/88/27/78/572882778.db2.gz JNTJAMBAZKNHEC-UHFFFAOYSA-N 0 0 196.275 1.848 10 0 ADAERN C[C@H]1CNc2ccn(C)c2S1 75600394 572882785 /nfs/dbraw/zinc/88/27/85/572882785.db2.gz FLTZGJPNAFFRHT-LURJTMIESA-N 0 0 168.265 1.931 10 0 ADAERN CN1c2ccn(C)c2NC(=O)C1(C)C 75600224 572882819 /nfs/dbraw/zinc/88/28/19/572882819.db2.gz PRJQNPQOXOKTBW-UHFFFAOYSA-N 0 0 193.250 1.192 10 0 ADAERN CC(C)OC(=O)[C@H](CO)C(C)(C)C 308165727 572882820 /nfs/dbraw/zinc/88/28/20/572882820.db2.gz XKUYFQRRPOSJAD-QMMMGPOBSA-N 0 0 188.267 1.593 10 0 ADAERN C/C=C(C)/C=C\C(=O)N(C)OC 307967754 572882872 /nfs/dbraw/zinc/88/28/72/572882872.db2.gz DKDXPUWZXVDXAR-WNXMRAAYSA-N 0 0 169.224 1.529 10 0 ADAERN CC(C)[C@@H]1Oc2ccn(C)c2NC1=O 75600167 572882880 /nfs/dbraw/zinc/88/28/80/572882880.db2.gz ULBABGXUEUAAQT-QMMMGPOBSA-N 0 0 194.234 1.381 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)OC1CC1 307971796 572882881 /nfs/dbraw/zinc/88/28/81/572882881.db2.gz HSZNNSOMLHQWLY-HTQZYQBOSA-N 0 0 170.208 1.117 10 0 ADAERN CCOC(=O)[C@](O)(CC)[C@@H](C)CC 86165900 572882927 /nfs/dbraw/zinc/88/29/27/572882927.db2.gz ILXSYIOYGXKJQH-WPRPVWTQSA-N 0 0 188.267 1.737 10 0 ADAERN CC(=O)c1oc(-c2cn[nH]c2)nc1C 77600232 572882939 /nfs/dbraw/zinc/88/29/39/572882939.db2.gz ZCBIOQBWNAYPDF-UHFFFAOYSA-N 0 0 191.190 1.576 10 0 ADAERN Cc1cc(CNO)cc2c1O[C@@H](C)C2 214730741 572882952 /nfs/dbraw/zinc/88/29/52/572882952.db2.gz DNLJVINBIBCLOF-QMMMGPOBSA-N 0 0 193.246 1.797 10 0 ADAERN CC(C)CCN(C)c1ccnn1C 308160607 572882987 /nfs/dbraw/zinc/88/29/87/572882987.db2.gz UWENPMHDBARPIS-UHFFFAOYSA-N 0 0 181.283 1.902 10 0 ADAERN CC[C@@](C)(CO)CO[C@@H]1CCOC1 308160720 572883013 /nfs/dbraw/zinc/88/30/13/572883013.db2.gz WQCYPJZZTXUHLV-ZJUUUORDSA-N 0 0 188.267 1.201 10 0 ADAERN CCOC(=O)[C@@](C)(O)C(CC)CC 86165712 572883044 /nfs/dbraw/zinc/88/30/44/572883044.db2.gz MTIYPACJTVMTHV-JTQLQIEISA-N 0 0 188.267 1.737 10 0 ADAERN CC(=O)OCCc1ccsc1C=O 75600595 572883071 /nfs/dbraw/zinc/88/30/71/572883071.db2.gz MYNJMBSTATUELI-UHFFFAOYSA-N 0 0 198.243 1.666 10 0 ADAERN CC(=O)c1oc(-c2ncco2)nc1C 77600270 572883113 /nfs/dbraw/zinc/88/31/13/572883113.db2.gz NYCBFOPOTDVQFF-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN CC(=O)c1oc(-c2cc[nH]n2)nc1C 77600291 572883136 /nfs/dbraw/zinc/88/31/36/572883136.db2.gz MJDHXHLGIDIQEU-UHFFFAOYSA-N 0 0 191.190 1.576 10 0 ADAERN CC(C)[C@H]1Oc2ccn(C)c2NC1=O 75600165 572883143 /nfs/dbraw/zinc/88/31/43/572883143.db2.gz ULBABGXUEUAAQT-MRVPVSSYSA-N 0 0 194.234 1.381 10 0 ADAERN COCC[C@@H](NC(C)=O)C(C)C 307967763 572883145 /nfs/dbraw/zinc/88/31/45/572883145.db2.gz DKIYLTUMQLDLRW-SECBINFHSA-N 0 0 173.256 1.184 10 0 ADAERN CCOC(=O)N(C[C@H](C)O)C(C)C 308165493 572883155 /nfs/dbraw/zinc/88/31/55/572883155.db2.gz QMIRRHLCWJCEQU-QMMMGPOBSA-N 0 0 189.255 1.234 10 0 ADAERN CCCOC(=O)N(C)CCSC 307967890 572883156 /nfs/dbraw/zinc/88/31/56/572883156.db2.gz UAZKOIPZPYRPAA-UHFFFAOYSA-N 0 0 191.296 1.828 10 0 ADAERN Nc1c(-c2ncc[nH]2)cc2ccccn12 75600970 572883169 /nfs/dbraw/zinc/88/31/69/572883169.db2.gz MSHRUFNCHRNCDE-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CCO[C@H]1C[C@@H]1C(=O)OC1CC1 307972016 572883179 /nfs/dbraw/zinc/88/31/79/572883179.db2.gz HSZNNSOMLHQWLY-YUMQZZPRSA-N 0 0 170.208 1.117 10 0 ADAERN C[NH2+][C@@H](C)Cc1ccccc1C(=O)[O-] 214731077 572883242 /nfs/dbraw/zinc/88/32/42/572883242.db2.gz CDQCJCHKTBMCMX-QMMMGPOBSA-N 0 0 193.246 1.535 10 0 ADAERN CC(=O)N1C[C@H](C)Oc2c1ccn2C 75600269 572883250 /nfs/dbraw/zinc/88/32/50/572883250.db2.gz LSDCTRAENSLVQM-ZETCQYMHSA-N 0 0 194.234 1.159 10 0 ADAERN CC(=O)c1oc(-c2cnco2)nc1C 77600335 572883273 /nfs/dbraw/zinc/88/32/73/572883273.db2.gz PBZVVKSWRZXKRT-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN CC(C[C@H](C)CO)C[C@H](C)CO 118773610 572883284 /nfs/dbraw/zinc/88/32/84/572883284.db2.gz OXQIVIGCLLIFKQ-UWVGGRQHSA-N 0 0 174.284 1.660 10 0 ADAERN C[C@@H]1CCCC=C[C@@H](O)CC(=O)O1 308165044 572883291 /nfs/dbraw/zinc/88/32/91/572883291.db2.gz QBMOXZAUNMFTMZ-RKDXNWHRSA-N 0 0 184.235 1.409 10 0 ADAERN Cc1cc(C)c(C(=O)CN)c(C)c1O 214730270 572883314 /nfs/dbraw/zinc/88/33/14/572883314.db2.gz JJQNAYKTBJULLD-UHFFFAOYSA-N 0 0 193.246 1.459 10 0 ADAERN C[S@](=O)/C=C(\CO)c1ccccc1 308165629 572883317 /nfs/dbraw/zinc/88/33/17/572883317.db2.gz QSAIGQUGWHVXEP-FROQITRMSA-N 0 0 196.271 1.398 10 0 ADAERN CCO[C@H]1C[C@@H]1[NH2+]CCSCC 307971723 572883318 /nfs/dbraw/zinc/88/33/18/572883318.db2.gz HQHCPJKXOLAYQG-IUCAKERBSA-N 0 0 189.324 1.507 10 0 ADAERN C[C@H](O)C1(CCC[C@@H](C)O)CC1 307970228 572887119 /nfs/dbraw/zinc/88/71/19/572887119.db2.gz WTRDVZDTQPWXKA-BDAKNGLRSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H]1Sc2cn(C)cc2NC1=O 75600193 572883459 /nfs/dbraw/zinc/88/34/59/572883459.db2.gz WSMLZDZMEBUMML-RXMQYKEDSA-N 0 0 182.248 1.458 10 0 ADAERN CC(C)[C@@H]1Oc2c(ccn2C)NC1=O 75600109 572883488 /nfs/dbraw/zinc/88/34/88/572883488.db2.gz BNJVQXIIDUJLKL-QMMMGPOBSA-N 0 0 194.234 1.381 10 0 ADAERN C[C@@H]1CN(C)c2ccn(C)c2O1 75600243 572883501 /nfs/dbraw/zinc/88/35/01/572883501.db2.gz GLQWBTAWYNJDQX-SSDOTTSWSA-N 0 0 166.224 1.242 10 0 ADAERN Nc1c(-c2cc[nH]n2)cn2ccccc12 75600790 572883519 /nfs/dbraw/zinc/88/35/19/572883519.db2.gz BWXJJSALXVZJNO-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CN1CCSc2cn(C)cc21 75600465 572883525 /nfs/dbraw/zinc/88/35/25/572883525.db2.gz LPAYASXEBMGVMM-UHFFFAOYSA-N 0 0 168.265 1.567 10 0 ADAERN CC(=O)c1oc(-c2ccon2)nc1C 77600210 572883536 /nfs/dbraw/zinc/88/35/36/572883536.db2.gz YWECGUKAPYQILM-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN Cn1ccc2c1OC(C)(C)C(=O)N2 75600121 572883543 /nfs/dbraw/zinc/88/35/43/572883543.db2.gz JAFHEQQKBTVWJT-UHFFFAOYSA-N 0 0 180.207 1.135 10 0 ADAERN CCCCC(=O)Nn1cccc1 307970382 572887594 /nfs/dbraw/zinc/88/75/94/572887594.db2.gz GQQARWDUYRWMEM-UHFFFAOYSA-N 0 0 166.224 1.748 10 0 ADAERN CCOC(=O)[C@](C)(O)[C@@H](C)CC 86165621 572883559 /nfs/dbraw/zinc/88/35/59/572883559.db2.gz ZRBCBFIQERCPAH-IONNQARKSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)[C@@](C)(O)[C@@H](C)CC 86165617 572883581 /nfs/dbraw/zinc/88/35/81/572883581.db2.gz ZRBCBFIQERCPAH-CBAPKCEASA-N 0 0 174.240 1.347 10 0 ADAERN CSCCOC(=O)CCC(C)=O 308165013 572883591 /nfs/dbraw/zinc/88/35/91/572883591.db2.gz UKINMJUDQUQKAW-UHFFFAOYSA-N 0 0 190.264 1.262 10 0 ADAERN CC(=O)[C@@]1(C)N=C2CCC(C)=C2O1 196574638 572883601 /nfs/dbraw/zinc/88/36/01/572883601.db2.gz PULCOFNMPHXMDY-JTQLQIEISA-N 0 0 179.219 1.831 10 0 ADAERN CC(=O)c1ocnc1-c1ccccn1 75600532 572883602 /nfs/dbraw/zinc/88/36/02/572883602.db2.gz IDSGBSQRZHGUAJ-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN CC[N@@H+](CC(=O)[O-])C[C@@H](C)C(C)C 308165565 572883609 /nfs/dbraw/zinc/88/36/09/572883609.db2.gz ABFLUHOIEPKAHX-SECBINFHSA-N 0 0 187.283 1.685 10 0 ADAERN CCCCC(=O)N1CCCC1=O 27704972 572883625 /nfs/dbraw/zinc/88/36/25/572883625.db2.gz SOBBDDQZFAWLHM-UHFFFAOYSA-N 0 0 169.224 1.326 10 0 ADAERN CC(C)=C1CC(C(=O)CO)C(=O)O1 308165038 572883658 /nfs/dbraw/zinc/88/36/58/572883658.db2.gz QBFKFKNBGDXERT-SREVYHEPSA-N 0 0 184.191 1.032 10 0 ADAERN Nc1c(C2CCC2)cn2c1NC(=O)C2 75621631 572887405 /nfs/dbraw/zinc/88/74/05/572887405.db2.gz OMKALRFPDCUBRZ-UHFFFAOYSA-N 0 0 191.234 1.290 10 0 ADAERN Nc1c2c(n3ccccc13)COCC2 75600910 572883701 /nfs/dbraw/zinc/88/37/01/572883701.db2.gz XAPYVLAMSYHHOT-UHFFFAOYSA-N 0 0 188.230 1.594 10 0 ADAERN CCC[C@@H](C)[C@@](C)(O)C(=O)OCC 86165736 572883712 /nfs/dbraw/zinc/88/37/12/572883712.db2.gz PVQVFVMSKYFOJV-PSASIEDQSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)[C@@](C)(O)[C@@H](C)C(C)C 86165690 572883720 /nfs/dbraw/zinc/88/37/20/572883720.db2.gz WOAYBUAPUCAQAH-WPRPVWTQSA-N 0 0 188.267 1.593 10 0 ADAERN CCOC(=O)[C@](C)(O)C1CCCC1 86165643 572883723 /nfs/dbraw/zinc/88/37/23/572883723.db2.gz OLFRYODXHKATOI-SNVBAGLBSA-N 0 0 186.251 1.491 10 0 ADAERN Cn1cc2c(c1)SCCN2 75600438 572883731 /nfs/dbraw/zinc/88/37/31/572883731.db2.gz RDOHFONAQDXBTN-UHFFFAOYSA-N 0 0 154.238 1.543 10 0 ADAERN CCOC(=O)[C@@](O)(CC)C(C)C 86165941 572883740 /nfs/dbraw/zinc/88/37/40/572883740.db2.gz VABYFZVTDGZSFU-SECBINFHSA-N 0 0 174.240 1.347 10 0 ADAERN C[C@@H]1Sc2cn(C)cc2NC1=O 75600194 572883745 /nfs/dbraw/zinc/88/37/45/572883745.db2.gz WSMLZDZMEBUMML-YFKPBYRVSA-N 0 0 182.248 1.458 10 0 ADAERN Cn1ccc2c1SCCN2 75600413 572883771 /nfs/dbraw/zinc/88/37/71/572883771.db2.gz KIXWYRWOFAUMQS-UHFFFAOYSA-N 0 0 154.238 1.543 10 0 ADAERN CC(C)[C@H]1C[C@@H]1C(=O)OC1COC1 308165228 572883791 /nfs/dbraw/zinc/88/37/91/572883791.db2.gz XHTMKLQXVPPXPP-BDAKNGLRSA-N 0 0 184.235 1.221 10 0 ADAERN C[C@@H]1CNc2ccn(C)c2S1 75600392 572883805 /nfs/dbraw/zinc/88/38/05/572883805.db2.gz FLTZGJPNAFFRHT-ZCFIWIBFSA-N 0 0 168.265 1.931 10 0 ADAERN C=C[S@](=O)C[C@H](O)c1ccccc1 308165074 572883867 /nfs/dbraw/zinc/88/38/67/572883867.db2.gz QIZJAISAXMFDTM-GWCFXTLKSA-N 0 0 196.271 1.612 10 0 ADAERN CC(C)[C@@H]1C[C@H]1C(=O)OC1COC1 308165229 572883876 /nfs/dbraw/zinc/88/38/76/572883876.db2.gz XHTMKLQXVPPXPP-DTWKUNHWSA-N 0 0 184.235 1.221 10 0 ADAERN Cn1ccc2c1SC(C)(C)C(=O)N2 75600136 572883893 /nfs/dbraw/zinc/88/38/93/572883893.db2.gz UIUQROKMSCBKNL-UHFFFAOYSA-N 0 0 196.275 1.848 10 0 ADAERN CC(=O)c1oc(-c2cnoc2)nc1C 77600221 572883896 /nfs/dbraw/zinc/88/38/96/572883896.db2.gz SHSWIBBTBJRLKO-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN C[S@@](=O)/C=C(\CO)c1ccccc1 308165626 572883908 /nfs/dbraw/zinc/88/39/08/572883908.db2.gz QSAIGQUGWHVXEP-AORWBKJGSA-N 0 0 196.271 1.398 10 0 ADAERN C/C=C\[C@@H](O)C/C(C)=C\[C@@H](C)CO 308164966 572883929 /nfs/dbraw/zinc/88/39/29/572883929.db2.gz PVMIKEKIQFNNOU-IMQGLXHSSA-N 0 0 184.279 1.888 10 0 ADAERN CC(=O)OCCCC[C@@H](F)[C@H](C)O 308165045 572883935 /nfs/dbraw/zinc/88/39/35/572883935.db2.gz QBNQUXYWSYBTGV-IONNQARKSA-N 0 0 192.230 1.439 10 0 ADAERN CCOC(=O)C[C@H](C)/C=C/CCO 308165063 572883959 /nfs/dbraw/zinc/88/39/59/572883959.db2.gz QHKMNGUQCZILBA-OTQAPUNGSA-N 0 0 186.251 1.514 10 0 ADAERN C/C=C/[C@@H](O)C/C(C)=C/[C@@H](C)CO 308164971 572883971 /nfs/dbraw/zinc/88/39/71/572883971.db2.gz PVMIKEKIQFNNOU-KGJNAYSGSA-N 0 0 184.279 1.888 10 0 ADAERN Nc1c(-c2cc[nH]n2)cc2ccccn12 75600959 572884020 /nfs/dbraw/zinc/88/40/20/572884020.db2.gz FQSOJRATZFTHLI-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN Nc1c(-c2ncc[nH]2)cn2ccccc12 75600800 572884082 /nfs/dbraw/zinc/88/40/82/572884082.db2.gz NJJFRPXIQRATLL-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN COCC[C@@H](C)C(=O)OC1CC1 307968307 572884060 /nfs/dbraw/zinc/88/40/60/572884060.db2.gz DWUREYNZOMWFCH-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN CC(C)C[C@@H](C)N(C)C(=O)[C@H](C)O 308165206 572884087 /nfs/dbraw/zinc/88/40/87/572884087.db2.gz XGTNNINTEKSBQD-BDAKNGLRSA-N 0 0 187.283 1.260 10 0 ADAERN CC(=O)[C@H]1C[C@H](CO)C1(C)C 196573057 572884106 /nfs/dbraw/zinc/88/41/06/572884106.db2.gz RRFQMYCDTHUGSU-HTQZYQBOSA-N 0 0 156.225 1.230 10 0 ADAERN C[C@@H]1CN(C)c2cn(C)cc2S1 75600458 572884115 /nfs/dbraw/zinc/88/41/15/572884115.db2.gz BKLSGGLVRSMYGI-SSDOTTSWSA-N 0 0 182.292 1.956 10 0 ADAERN CC(C)[C@@H]1CN(C)c2ccn(C)c2O1 75600246 572884135 /nfs/dbraw/zinc/88/41/35/572884135.db2.gz MNTGTQVUZKMPRG-JTQLQIEISA-N 0 0 194.278 1.878 10 0 ADAERN C/C=C\[C@@H](O)C/C(C)=C/[C@@H](C)CO 308164960 572884149 /nfs/dbraw/zinc/88/41/49/572884149.db2.gz PVMIKEKIQFNNOU-AURBJJMGSA-N 0 0 184.279 1.888 10 0 ADAERN CC[C@@](C)(CO)CO[C@H]1CCOC1 308160716 572884194 /nfs/dbraw/zinc/88/41/94/572884194.db2.gz WQCYPJZZTXUHLV-UWVGGRQHSA-N 0 0 188.267 1.201 10 0 ADAERN C[C@@H](O)c1cnnn1CCCCF 308160630 572884201 /nfs/dbraw/zinc/88/42/01/572884201.db2.gz WNYRFXDSMCFFND-SSDOTTSWSA-N 0 0 187.218 1.081 10 0 ADAERN Cn1cc2c(c1)SCC(=O)N2 75600204 572884204 /nfs/dbraw/zinc/88/42/04/572884204.db2.gz WLALQUZHDIHNDN-UHFFFAOYSA-N 0 0 168.221 1.069 10 0 ADAERN CCCC(=O)O[C@H]1C[C@@H](OC)C1 307968864 572884205 /nfs/dbraw/zinc/88/42/05/572884205.db2.gz FMMHDGWIAIPLBU-OCAPTIKFSA-N 0 0 172.224 1.507 10 0 ADAERN C[C@H](CO)CCC[C@@H](C)[C@@H](C)O 118772667 572884211 /nfs/dbraw/zinc/88/42/11/572884211.db2.gz HSUSHXCGFIDROY-IVZWLZJFSA-N 0 0 174.284 1.802 10 0 ADAERN COC(=O)/C=C(\C)CCCCCO 308164989 572884212 /nfs/dbraw/zinc/88/42/12/572884212.db2.gz PWYFGWJFPMSWTR-CMDGGOBGSA-N 0 0 186.251 1.658 10 0 ADAERN CC(C)c1ncn(CCCCO)n1 308165403 572884225 /nfs/dbraw/zinc/88/42/25/572884225.db2.gz ZCBGWYFHIGFBCB-UHFFFAOYSA-N 0 0 183.255 1.174 10 0 ADAERN Cc1ccccc1-c1n[nH]nc1C=O 75617423 572887413 /nfs/dbraw/zinc/88/74/13/572887413.db2.gz VRBCSNVVPRVUQS-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN COCC1(CSCCO)CCC1 307969014 572884241 /nfs/dbraw/zinc/88/42/41/572884241.db2.gz VQBHGTDRDULLOK-UHFFFAOYSA-N 0 0 190.308 1.529 10 0 ADAERN CC(C)C[C@H](C)N(C)C(=O)[C@@H](C)O 308165207 572884247 /nfs/dbraw/zinc/88/42/47/572884247.db2.gz XGTNNINTEKSBQD-DTWKUNHWSA-N 0 0 187.283 1.260 10 0 ADAERN CCC[N@H+](CC(=O)[O-])[C@@H]1CC[C@H]1C 308165513 572884277 /nfs/dbraw/zinc/88/42/77/572884277.db2.gz ZFGLNSXWCCQNLK-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccco2)CO1 71496157 572884291 /nfs/dbraw/zinc/88/42/91/572884291.db2.gz NTRIFBSMIPBEBW-HTQZYQBOSA-N 0 0 167.208 1.329 10 0 ADAERN O=C(/C=C\c1cc[nH]c1)NC1CC1 308168207 572887417 /nfs/dbraw/zinc/88/74/17/572887417.db2.gz AKIKWSIMDHPVPG-RJRFIUFISA-N 0 0 176.219 1.307 10 0 ADAERN C[C@H]1CN(C)c2cn(C)cc2S1 75600460 572884312 /nfs/dbraw/zinc/88/43/12/572884312.db2.gz BKLSGGLVRSMYGI-ZETCQYMHSA-N 0 0 182.292 1.956 10 0 ADAERN Cn1ccc2c1SCC(=O)N2 75600135 572884326 /nfs/dbraw/zinc/88/43/26/572884326.db2.gz QXBUYQINRKWDTE-UHFFFAOYSA-N 0 0 168.221 1.069 10 0 ADAERN CC(=O)CSc1nc(C)ncc1O 75600604 572884359 /nfs/dbraw/zinc/88/43/59/572884359.db2.gz JQXKJAHJUGQJJS-UHFFFAOYSA-N 0 0 198.247 1.172 10 0 ADAERN CCOC(=O)/C=C\[C@@H](CO)C(C)C 308165071 572884388 /nfs/dbraw/zinc/88/43/88/572884388.db2.gz QIKQSBPJQQKYRM-UDIARPCQSA-N 0 0 186.251 1.370 10 0 ADAERN CC(=O)N1C[C@@H](C)Oc2c1ccn2C 75600267 572884401 /nfs/dbraw/zinc/88/44/01/572884401.db2.gz LSDCTRAENSLVQM-SSDOTTSWSA-N 0 0 194.234 1.159 10 0 ADAERN CC(C)OC(=O)[C@@H](CO)C(C)(C)C 308165724 572884405 /nfs/dbraw/zinc/88/44/05/572884405.db2.gz XKUYFQRRPOSJAD-MRVPVSSYSA-N 0 0 188.267 1.593 10 0 ADAERN C[C@H]1CNc2cn(C)cc2S1 75600431 572884406 /nfs/dbraw/zinc/88/44/06/572884406.db2.gz QAZQEDDZFKGOBX-LURJTMIESA-N 0 0 168.265 1.931 10 0 ADAERN CCC[N@H+](CC(=O)[O-])[C@@H]1CC[C@@H]1C 308165508 572884410 /nfs/dbraw/zinc/88/44/10/572884410.db2.gz ZFGLNSXWCCQNLK-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN Cn1cc2c(c1)SC(C)(C)C(=O)N2 75600205 572884411 /nfs/dbraw/zinc/88/44/11/572884411.db2.gz ODYYXAMEIAZTJH-UHFFFAOYSA-N 0 0 196.275 1.848 10 0 ADAERN CC(C)C[C@@H]([NH3+])c1cc(C(=O)[O-])n[nH]1 77598386 572884455 /nfs/dbraw/zinc/88/44/55/572884455.db2.gz ITZQSJWCYSYWNA-ZCFIWIBFSA-N 0 0 197.238 1.154 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H](O)CCCCF 308165172 572884478 /nfs/dbraw/zinc/88/44/78/572884478.db2.gz ZASLOQIAVBXBEB-IUCAKERBSA-N 0 0 192.274 1.894 10 0 ADAERN C[C@@H]1CNc2ccn(C)c2O1 75600304 572884485 /nfs/dbraw/zinc/88/44/85/572884485.db2.gz NJIHCGIMTHFLPS-ZCFIWIBFSA-N 0 0 152.197 1.218 10 0 ADAERN Nc1c(-c2c[nH]nn2)cc2ccccn12 75600976 572884491 /nfs/dbraw/zinc/88/44/91/572884491.db2.gz XWXKSCOEALJLMF-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN CCCOCC[C@]1(O)C[C@H]1CC 86200215 572887925 /nfs/dbraw/zinc/88/79/25/572887925.db2.gz RGXITUSBIULOSM-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CN1CC(C)(C)Oc2c1ccn2C 75600258 572884561 /nfs/dbraw/zinc/88/45/61/572884561.db2.gz NVWJGHFNAFPAAH-UHFFFAOYSA-N 0 0 180.251 1.632 10 0 ADAERN CCCCCCNC(=S)NOC 307970090 572888039 /nfs/dbraw/zinc/88/80/39/572888039.db2.gz GKOBBDBRSLWPJE-UHFFFAOYSA-N 0 0 190.312 1.592 10 0 ADAERN NC(=O)CC[C@H]1CCCCCC1=O 196578785 572888040 /nfs/dbraw/zinc/88/80/40/572888040.db2.gz ZNMGPZKQIXZTAY-MRVPVSSYSA-N 0 0 183.251 1.401 10 0 ADAERN C[C@H]1Sc2c(ccn2C)NC1=O 75600125 572884591 /nfs/dbraw/zinc/88/45/91/572884591.db2.gz JFOLWWDBCYCAOW-RXMQYKEDSA-N 0 0 182.248 1.458 10 0 ADAERN CCOCC(=O)OC[C@@H]1C[C@H]1C 308164948 572884602 /nfs/dbraw/zinc/88/46/02/572884602.db2.gz UIMRQQLMMFYXDA-SFYZADRCSA-N 0 0 172.224 1.222 10 0 ADAERN CCCn1c(C(=O)[O-])cnc1COC 77602101 572884629 /nfs/dbraw/zinc/88/46/29/572884629.db2.gz NLPVIXSNHVMENC-UHFFFAOYSA-N 0 0 198.222 1.138 10 0 ADAERN CC(C)[C@H]1CNc2ccn(C)c2O1 75600309 572884641 /nfs/dbraw/zinc/88/46/41/572884641.db2.gz CIEFTBCTOJLJGN-SECBINFHSA-N 0 0 180.251 1.854 10 0 ADAERN CC(C)C[C@@H](C)N(C)C(=O)[C@@H](C)O 308165209 572884643 /nfs/dbraw/zinc/88/46/43/572884643.db2.gz XGTNNINTEKSBQD-RKDXNWHRSA-N 0 0 187.283 1.260 10 0 ADAERN CC(C)[C@@H]1CNc2ccn(C)c2O1 75600307 572884648 /nfs/dbraw/zinc/88/46/48/572884648.db2.gz CIEFTBCTOJLJGN-VIFPVBQESA-N 0 0 180.251 1.854 10 0 ADAERN CC(=O)N1CCSc2cn(C)cc21 75600480 572884666 /nfs/dbraw/zinc/88/46/66/572884666.db2.gz VXHLZERMFSPVIP-UHFFFAOYSA-N 0 0 196.275 1.484 10 0 ADAERN CCc1nc(N)nc(SC)c1CC 75600129 572884693 /nfs/dbraw/zinc/88/46/93/572884693.db2.gz NSCRCZHPMHFFBV-UHFFFAOYSA-N 0 0 197.307 1.906 10 0 ADAERN Nc1c(-c2c[nH]cn2)cc2ccccn12 75600986 572884697 /nfs/dbraw/zinc/88/46/97/572884697.db2.gz YJXQJCDBPGDJOQ-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN C[C@@H]1Sc2c(ccn2C)NC1=O 75600126 572884708 /nfs/dbraw/zinc/88/47/08/572884708.db2.gz JFOLWWDBCYCAOW-YFKPBYRVSA-N 0 0 182.248 1.458 10 0 ADAERN CCC[N@H+](CC(=O)[O-])[C@H]1CC[C@@H]1C 308165511 572884710 /nfs/dbraw/zinc/88/47/10/572884710.db2.gz ZFGLNSXWCCQNLK-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CCCCNS(=O)(=O)[C@H](C)CC 307969124 572884711 /nfs/dbraw/zinc/88/47/11/572884711.db2.gz FOIQKKYAOXPATD-MRVPVSSYSA-N 0 0 193.312 1.504 10 0 ADAERN C[C@@H]1CN[C@H](c2ccccn2)O1 71495753 572884712 /nfs/dbraw/zinc/88/47/12/572884712.db2.gz GEXUEJGGBLKCRE-APPZFPTMSA-N 0 0 164.208 1.089 10 0 ADAERN CCCn1c(C(=O)[O-])cnc1C1CC1 77602105 572884727 /nfs/dbraw/zinc/88/47/27/572884727.db2.gz PSCDWSFUUOHHOG-UHFFFAOYSA-N 0 0 194.234 1.869 10 0 ADAERN CC(=O)c1ocnc1C1CC1 75600544 572884738 /nfs/dbraw/zinc/88/47/38/572884738.db2.gz ZMWZOKHLUXLMMM-UHFFFAOYSA-N 0 0 151.165 1.755 10 0 ADAERN CC(C)C[C@H]([NH3+])c1cc(C(=O)[O-])n[nH]1 77598382 572884749 /nfs/dbraw/zinc/88/47/49/572884749.db2.gz ITZQSJWCYSYWNA-LURJTMIESA-N 0 0 197.238 1.154 10 0 ADAERN CCCC[C@H](CO)[C@H](C)CO 116671186 572884782 /nfs/dbraw/zinc/88/47/82/572884782.db2.gz QFEOGYJAWSBEFU-RKDXNWHRSA-N 0 0 160.257 1.414 10 0 ADAERN C[C@H]1CNc2ccn(C)c2O1 75600306 572884786 /nfs/dbraw/zinc/88/47/86/572884786.db2.gz NJIHCGIMTHFLPS-LURJTMIESA-N 0 0 152.197 1.218 10 0 ADAERN C[C@H]1CN(C)c2ccn(C)c2O1 75600244 572884813 /nfs/dbraw/zinc/88/48/13/572884813.db2.gz GLQWBTAWYNJDQX-ZETCQYMHSA-N 0 0 166.224 1.242 10 0 ADAERN COCCOC(=O)[C@@H]1CCCS1 307969132 572884822 /nfs/dbraw/zinc/88/48/22/572884822.db2.gz FOPVSXGSSRYHKG-ZETCQYMHSA-N 0 0 190.264 1.072 10 0 ADAERN CCOc1cc(O)cc(OCC)c1O 75600320 572884842 /nfs/dbraw/zinc/88/48/42/572884842.db2.gz QEZXOUAKFCZRJY-UHFFFAOYSA-N 0 0 198.218 1.895 10 0 ADAERN C[C@H]1Sc2ccn(C)c2NC1=O 75600140 572884882 /nfs/dbraw/zinc/88/48/82/572884882.db2.gz FWYZHKVUYWLZHD-RXMQYKEDSA-N 0 0 182.248 1.458 10 0 ADAERN CCOC(=O)[C@H](C)/C=C\[C@H](C)O 307968254 572884892 /nfs/dbraw/zinc/88/48/92/572884892.db2.gz UVLGESDMWHUKSU-BWNLKHSUSA-N 0 0 172.224 1.123 10 0 ADAERN CON(C)C(=O)C1(C(C)C)CC1 307968623 572884896 /nfs/dbraw/zinc/88/48/96/572884896.db2.gz FFYXHXAEVJLAHN-UHFFFAOYSA-N 0 0 171.240 1.442 10 0 ADAERN CCOC(=O)[C@H](C)/C=C/[C@@H](C)O 307968457 572884914 /nfs/dbraw/zinc/88/49/14/572884914.db2.gz UVLGESDMWHUKSU-ZZTMBZGHSA-N 0 0 172.224 1.123 10 0 ADAERN C[C@H](CO)CCC[C@H](C)[C@@H](C)O 118772670 572884930 /nfs/dbraw/zinc/88/49/30/572884930.db2.gz HSUSHXCGFIDROY-LPEHRKFASA-N 0 0 174.284 1.802 10 0 ADAERN CCOC(=O)[C@H](C)/C=C/[C@H](C)O 307968455 572884940 /nfs/dbraw/zinc/88/49/40/572884940.db2.gz UVLGESDMWHUKSU-KTERXBQFSA-N 0 0 172.224 1.123 10 0 ADAERN CC[C@@H](O)[C@@H]1CCC=C(C)O1 196573878 572884948 /nfs/dbraw/zinc/88/49/48/572884948.db2.gz DENGKHKUSWPKCG-BDAKNGLRSA-N 0 0 156.225 1.840 10 0 ADAERN Cn1ccc2c1NC(=O)CS2 75600152 572884980 /nfs/dbraw/zinc/88/49/80/572884980.db2.gz HAWCNRNUEMCIDX-UHFFFAOYSA-N 0 0 168.221 1.069 10 0 ADAERN C[C@@H]1Oc2ccc(F)cc2C[C@H]1CO 713618398 572884984 /nfs/dbraw/zinc/88/49/84/572884984.db2.gz RMCGXVUFSLMOLQ-CBAPKCEASA-N 0 0 196.221 1.758 10 0 ADAERN CC(=O)N1CCSc2c1ccn2C 75600472 572885002 /nfs/dbraw/zinc/88/50/02/572885002.db2.gz RZONSBSOKBNRLZ-UHFFFAOYSA-N 0 0 196.275 1.484 10 0 ADAERN CCOCCCC(=O)[C@H]1C[C@@H]1OC 689510012 572885021 /nfs/dbraw/zinc/88/50/21/572885021.db2.gz VPUBVMIBEGSMNM-SCZZXKLOSA-N 0 0 186.251 1.407 10 0 ADAERN CSCCOC(=O)[C@@H]1CC1(C)C 308167299 572885031 /nfs/dbraw/zinc/88/50/31/572885031.db2.gz VEKSMVXLEPPCOM-ZETCQYMHSA-N 0 0 188.292 1.939 10 0 ADAERN CCNC(=O)[C@@H](SC)C(C)(C)C 307968263 572885044 /nfs/dbraw/zinc/88/50/44/572885044.db2.gz DSOARXDWFQGXQW-SSDOTTSWSA-N 0 0 189.324 1.900 10 0 ADAERN Nc1cncc(C(=O)c2ccccc2)c1 75600470 572885061 /nfs/dbraw/zinc/88/50/61/572885061.db2.gz RKMUOMNLVGLLEG-UHFFFAOYSA-N 0 0 198.225 1.895 10 0 ADAERN CC[C@H](OC)C(=O)N(CC)C(C)C 308167705 572885089 /nfs/dbraw/zinc/88/50/89/572885089.db2.gz AFWGEOGLVDBZDQ-VIFPVBQESA-N 0 0 187.283 1.668 10 0 ADAERN CCNC(=O)[C@H](SC)C(C)(C)C 307968264 572885121 /nfs/dbraw/zinc/88/51/21/572885121.db2.gz DSOARXDWFQGXQW-ZETCQYMHSA-N 0 0 189.324 1.900 10 0 ADAERN CC(C)OC(=O)CSC1COC1 86194723 572885138 /nfs/dbraw/zinc/88/51/38/572885138.db2.gz FPLLXGLHOMTEIY-UHFFFAOYSA-N 0 0 190.264 1.070 10 0 ADAERN Nc1c(-c2cn[nH]c2)cc2ccccn12 75600998 572885151 /nfs/dbraw/zinc/88/51/51/572885151.db2.gz HUZOXNBUCUYDDU-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN CC(=O)c1n[nH]nc1-c1nccs1 75615231 572888058 /nfs/dbraw/zinc/88/80/58/572888058.db2.gz PHDUEKGBAQKVKJ-UHFFFAOYSA-N 0 0 194.219 1.131 10 0 ADAERN COC(=O)C[C@H](C)SC1COC1 86194762 572885156 /nfs/dbraw/zinc/88/51/56/572885156.db2.gz WXWLUWMXHMJAAW-LURJTMIESA-N 0 0 190.264 1.070 10 0 ADAERN CC(C)[C@H](C)C[NH+]1CC(C(=O)[O-])C1 308167489 572885160 /nfs/dbraw/zinc/88/51/60/572885160.db2.gz GLIXUTVZZRSALS-MRVPVSSYSA-N 0 0 185.267 1.295 10 0 ADAERN C[C@@H](C[NH2+]C/C=C\Cl)CC(=O)[O-] 307968248 572885180 /nfs/dbraw/zinc/88/51/80/572885180.db2.gz UVGFYWBELMPYCB-SKRYNEFJSA-N 0 0 191.658 1.439 10 0 ADAERN COCCOC(=O)[C@H]1CCCS1 307969131 572885199 /nfs/dbraw/zinc/88/51/99/572885199.db2.gz FOPVSXGSSRYHKG-SSDOTTSWSA-N 0 0 190.264 1.072 10 0 ADAERN CC[C@@H](C)ONC(=O)c1cnoc1 308167593 572885202 /nfs/dbraw/zinc/88/52/02/572885202.db2.gz AIRLOJNDXKIMMJ-ZCFIWIBFSA-N 0 0 184.195 1.135 10 0 ADAERN CCOC(=O)[C@H](C)/C=C\[C@@H](C)O 307968456 572885207 /nfs/dbraw/zinc/88/52/07/572885207.db2.gz UVLGESDMWHUKSU-MFOJLJMTSA-N 0 0 172.224 1.123 10 0 ADAERN Nc1c(-c2c[nH]cn2)cn2ccccc12 75600815 572885213 /nfs/dbraw/zinc/88/52/13/572885213.db2.gz XMTLVCGMUFPEKC-UHFFFAOYSA-N 0 0 198.229 1.912 10 0 ADAERN COCC[C@@H](C)C(=O)C(C)C 86167247 572885230 /nfs/dbraw/zinc/88/52/30/572885230.db2.gz HMCALFBVQRNUKJ-MRVPVSSYSA-N 0 0 158.241 1.884 10 0 ADAERN COC(=O)C[C@@H](C)SC1COC1 86194763 572885268 /nfs/dbraw/zinc/88/52/68/572885268.db2.gz WXWLUWMXHMJAAW-ZCFIWIBFSA-N 0 0 190.264 1.070 10 0 ADAERN CCN(OC)C(=O)c1ccc[nH]1 307968586 572885294 /nfs/dbraw/zinc/88/52/94/572885294.db2.gz FCXXFSNEAAKYDG-UHFFFAOYSA-N 0 0 168.196 1.038 10 0 ADAERN CC[C@H](COC)C(=O)C(C)C 86167371 572885296 /nfs/dbraw/zinc/88/52/96/572885296.db2.gz FBTWOLYJIDHFIH-MRVPVSSYSA-N 0 0 158.241 1.884 10 0 ADAERN C[C@H](C[NH2+]C/C=C/Cl)CC(=O)[O-] 307968247 572885299 /nfs/dbraw/zinc/88/52/99/572885299.db2.gz UVGFYWBELMPYCB-AIYRYJHASA-N 0 0 191.658 1.439 10 0 ADAERN COCCCSCCC1(O)CC1 307968631 572885303 /nfs/dbraw/zinc/88/53/03/572885303.db2.gz FGVWTUPAEOTSKI-UHFFFAOYSA-N 0 0 190.308 1.671 10 0 ADAERN CC(C)(C)SCC(=O)N1CCC1 307968546 572885350 /nfs/dbraw/zinc/88/53/50/572885350.db2.gz VCRAXTHPIVHYKH-UHFFFAOYSA-N 0 0 187.308 1.750 10 0 ADAERN CCCC[C@H](CO)[C@@H](C)CO 116671182 572885357 /nfs/dbraw/zinc/88/53/57/572885357.db2.gz QFEOGYJAWSBEFU-DTWKUNHWSA-N 0 0 160.257 1.414 10 0 ADAERN CC(=CC(=O)OC(C)C)NC1CC1 308166336 572885358 /nfs/dbraw/zinc/88/53/58/572885358.db2.gz XUZXHRNESLWRCG-VURMDHGXSA-N 0 0 183.251 1.594 10 0 ADAERN O[C@H]1OCCC[C@H]1Cc1ccccc1 196576039 572885410 /nfs/dbraw/zinc/88/54/10/572885410.db2.gz NWOOUVUXTQMNIB-RYUDHWBXSA-N 0 0 192.258 1.974 10 0 ADAERN COCC[C@H](C)C(=O)OC1CC1 307968308 572885424 /nfs/dbraw/zinc/88/54/24/572885424.db2.gz DWUREYNZOMWFCH-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN C[C@@H]1Oc2ccc(F)cc2C[C@@H]1CO 713618401 572885426 /nfs/dbraw/zinc/88/54/26/572885426.db2.gz RMCGXVUFSLMOLQ-IONNQARKSA-N 0 0 196.221 1.758 10 0 ADAERN CC[C@H](F)COC(=O)[C@@H](CC)OC 308168167 572885506 /nfs/dbraw/zinc/88/55/06/572885506.db2.gz AJNLQMSZPXDROZ-JGVFFNPUSA-N 0 0 192.230 1.703 10 0 ADAERN CC(=O)c1n[nH]nc1-c1cccn1C 75615460 572885578 /nfs/dbraw/zinc/88/55/78/572885578.db2.gz UINKBMGYEDKBJA-UHFFFAOYSA-N 0 0 190.206 1.013 10 0 ADAERN CCOCCCC(=O)[C@@H]1C[C@@H]1OC 689510017 572885580 /nfs/dbraw/zinc/88/55/80/572885580.db2.gz VPUBVMIBEGSMNM-WPRPVWTQSA-N 0 0 186.251 1.407 10 0 ADAERN CC[C@H](O)[C@@H]1CCC=C(C)O1 196573869 572885612 /nfs/dbraw/zinc/88/56/12/572885612.db2.gz DENGKHKUSWPKCG-IUCAKERBSA-N 0 0 156.225 1.840 10 0 ADAERN O[C@@H]1OCCC[C@H]1Cc1ccccc1 196576062 572885619 /nfs/dbraw/zinc/88/56/19/572885619.db2.gz NWOOUVUXTQMNIB-NWDGAFQWSA-N 0 0 192.258 1.974 10 0 ADAERN C[C@@](O)(Cc1csnn1)CC1CC1 308166943 572885674 /nfs/dbraw/zinc/88/56/74/572885674.db2.gz ZRZNFNKXOIHVJS-VIFPVBQESA-N 0 0 198.291 1.632 10 0 ADAERN CCCOCC(=O)OC/C=C\Cl 307968791 572885708 /nfs/dbraw/zinc/88/57/08/572885708.db2.gz FISGGUMUVFTJOK-ARJAWSKDSA-N 0 0 192.642 1.709 10 0 ADAERN C[C@H]1Oc2ccc(F)cc2C[C@@H]1CO 713618409 572885709 /nfs/dbraw/zinc/88/57/09/572885709.db2.gz RMCGXVUFSLMOLQ-VXNVDRBHSA-N 0 0 196.221 1.758 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+][C@H]1CCC1(C)C 308166976 572885744 /nfs/dbraw/zinc/88/57/44/572885744.db2.gz ZVKOEDQNKWBKTG-SFYZADRCSA-N 0 0 185.267 1.628 10 0 ADAERN Cc1cc(-c2n[nH]nc2C=O)co1 75616631 572885794 /nfs/dbraw/zinc/88/57/94/572885794.db2.gz VNSSEXBFNBZDJZ-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CC(C)(C)OCn1cccc1CO 308166968 572885797 /nfs/dbraw/zinc/88/57/97/572885797.db2.gz ZUMDZLRTPYLWGM-UHFFFAOYSA-N 0 0 183.251 1.753 10 0 ADAERN Cc1cocc1-c1n[nH]nc1C=O 75616624 572885823 /nfs/dbraw/zinc/88/58/23/572885823.db2.gz GWIDQKZOHDRYTG-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN O[C@H]1OCCC[C@@H]1Cc1ccccc1 196576054 572885857 /nfs/dbraw/zinc/88/58/57/572885857.db2.gz NWOOUVUXTQMNIB-NEPJUHHUSA-N 0 0 192.258 1.974 10 0 ADAERN CC[NH2+][C@H](CC(=O)[O-])[C@H](C)C(C)C 308167409 572885859 /nfs/dbraw/zinc/88/58/59/572885859.db2.gz GBKSUIQQULQMEG-RKDXNWHRSA-N 0 0 187.283 1.731 10 0 ADAERN Cn1cc(N)nc1CCc1ccco1 75620800 572885874 /nfs/dbraw/zinc/88/58/74/572885874.db2.gz WCNZZGBTXZOQSK-UHFFFAOYSA-N 0 0 191.234 1.381 10 0 ADAERN CONCCc1ccc(C)cc1 307968854 572885907 /nfs/dbraw/zinc/88/59/07/572885907.db2.gz FMDYQOXZXIBDCG-UHFFFAOYSA-N 0 0 165.236 1.689 10 0 ADAERN Cc1cc(C(=O)OCCO)cs1 308166294 572885909 /nfs/dbraw/zinc/88/59/09/572885909.db2.gz UTWUMEXVRCZHGH-UHFFFAOYSA-N 0 0 186.232 1.206 10 0 ADAERN CC(C)c1ncc(N(C)C)c(CO)n1 50365075 572885923 /nfs/dbraw/zinc/88/59/23/572885923.db2.gz CVAORTYQKZERIE-UHFFFAOYSA-N 0 0 195.266 1.158 10 0 ADAERN CC(=CC(=O)OC(C)C)NC1CC1 308166334 572885935 /nfs/dbraw/zinc/88/59/35/572885935.db2.gz XUZXHRNESLWRCG-SOFGYWHQSA-N 0 0 183.251 1.594 10 0 ADAERN Cc1nc(-c2nc(N)cn2C)cs1 75620592 572885936 /nfs/dbraw/zinc/88/59/36/572885936.db2.gz KRJLBDQMFRSLCM-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CSCC[NH2+]C[C@@H](C)CC(=O)[O-] 307968752 572886004 /nfs/dbraw/zinc/88/60/04/572886004.db2.gz VLVFILVDWMEOCY-ZETCQYMHSA-N 0 0 191.296 1.050 10 0 ADAERN CCOCCCC(=O)[C@@H]1C[C@H]1OC 689510015 572886061 /nfs/dbraw/zinc/88/60/61/572886061.db2.gz VPUBVMIBEGSMNM-WCBMZHEXSA-N 0 0 186.251 1.407 10 0 ADAERN Cn1cc(N)nc1-c1cccs1 75620555 572886062 /nfs/dbraw/zinc/88/60/62/572886062.db2.gz JFQMCURNOQOQPZ-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN CCON(C)C(=O)C(C)(C)CC 308166319 572886110 /nfs/dbraw/zinc/88/61/10/572886110.db2.gz UUDSPAOUAHQNOF-UHFFFAOYSA-N 0 0 173.256 1.833 10 0 ADAERN C/C=C\C(=O)N(C)c1ccncn1 308167726 572886122 /nfs/dbraw/zinc/88/61/22/572886122.db2.gz AGBQXBYEBRVUIG-ARJAWSKDSA-N 0 0 177.207 1.016 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+][C@@H]1CCC1(C)C 308166974 572886173 /nfs/dbraw/zinc/88/61/73/572886173.db2.gz ZVKOEDQNKWBKTG-HTQZYQBOSA-N 0 0 185.267 1.628 10 0 ADAERN CCCC(=O)NCC1(F)CCC1 307968830 572886178 /nfs/dbraw/zinc/88/61/78/572886178.db2.gz FKVHCOCCOXBYRL-UHFFFAOYSA-N 0 0 173.231 1.795 10 0 ADAERN C[C@H](C[NH2+]C/C=C\Cl)CC(=O)[O-] 307968250 572886205 /nfs/dbraw/zinc/88/62/05/572886205.db2.gz UVGFYWBELMPYCB-XDVGHUOJSA-N 0 0 191.658 1.439 10 0 ADAERN C[C@H](/C=C1\OC(=O)OC1(C)C)CO 308166748 572886209 /nfs/dbraw/zinc/88/62/09/572886209.db2.gz RRHGXIMUWLMLJB-CDXJMXTPSA-N 0 0 186.207 1.444 10 0 ADAERN CCCC[C@@H](O)C/C=C\C(=O)OC 308166605 572886236 /nfs/dbraw/zinc/88/62/36/572886236.db2.gz RLCJIYPIOPDVBV-BZJXQOFCSA-N 0 0 186.251 1.657 10 0 ADAERN CCOCc1nc(CSC)no1 308166423 572886258 /nfs/dbraw/zinc/88/62/58/572886258.db2.gz UWKCOJZBMMIPNE-UHFFFAOYSA-N 0 0 188.252 1.469 10 0 ADAERN Cc1ncc(-c2nc(N)cn2C)s1 75620698 572886297 /nfs/dbraw/zinc/88/62/97/572886297.db2.gz BMNGNDSKGREKNQ-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Nc1c2c(n3cc(Cl)[nH]c13)CCC2 75621803 572886303 /nfs/dbraw/zinc/88/63/03/572886303.db2.gz KHTBWKRAGQXERV-UHFFFAOYSA-N 0 0 195.653 1.992 10 0 ADAERN COCCCOC(=O)C=C(C)C 307968347 572886322 /nfs/dbraw/zinc/88/63/22/572886322.db2.gz FAHNMFXDGWBTOO-UHFFFAOYSA-N 0 0 172.224 1.532 10 0 ADAERN CCOC[C@H](O)CC1(C)CCC1 307969026 572886344 /nfs/dbraw/zinc/88/63/44/572886344.db2.gz VQWZKIVGMFRDEK-SECBINFHSA-N 0 0 172.268 1.964 10 0 ADAERN CCOC(=O)CCSC1COC1 86194694 572886346 /nfs/dbraw/zinc/88/63/46/572886346.db2.gz BQFMEDZTRVELPE-UHFFFAOYSA-N 0 0 190.264 1.072 10 0 ADAERN CCC(CC)OC(=O)[C@H]1CCCO1 308167517 572886399 /nfs/dbraw/zinc/88/63/99/572886399.db2.gz AHCFFPKGMWIMDM-SECBINFHSA-N 0 0 186.251 1.897 10 0 ADAERN Nc1cccc(CNCCF)c1F 308167579 572886422 /nfs/dbraw/zinc/88/64/22/572886422.db2.gz AGHUOTALLRPOIE-UHFFFAOYSA-N 0 0 186.205 1.467 10 0 ADAERN CCCCNS(=O)(=O)[C@@H](C)CC 307969125 572886431 /nfs/dbraw/zinc/88/64/31/572886431.db2.gz FOIQKKYAOXPATD-QMMMGPOBSA-N 0 0 193.312 1.504 10 0 ADAERN CC(=O)c1n[nH]nc1-c1coc(C)c1 75615101 572886468 /nfs/dbraw/zinc/88/64/68/572886468.db2.gz QSTBQZMIHKKYPH-UHFFFAOYSA-N 0 0 191.190 1.576 10 0 ADAERN COC(C)(C)C(=O)OCCCF 307968577 572886477 /nfs/dbraw/zinc/88/64/77/572886477.db2.gz FCGAMBSGDXPDKO-UHFFFAOYSA-N 0 0 178.203 1.314 10 0 ADAERN C[C@@H](C[NH2+]C/C=C/Cl)CC(=O)[O-] 307968249 572886482 /nfs/dbraw/zinc/88/64/82/572886482.db2.gz UVGFYWBELMPYCB-TYWZFMJISA-N 0 0 191.658 1.439 10 0 ADAERN CCOC[C@@H](O)CC1(C)CCC1 307969027 572886506 /nfs/dbraw/zinc/88/65/06/572886506.db2.gz VQWZKIVGMFRDEK-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN CCCOCC(=O)OC/C=C/Cl 307968792 572886524 /nfs/dbraw/zinc/88/65/24/572886524.db2.gz FISGGUMUVFTJOK-ONEGZZNKSA-N 0 0 192.642 1.709 10 0 ADAERN C=COCCOC(=O)CCC(C)=O 199233133 572886563 /nfs/dbraw/zinc/88/65/63/572886563.db2.gz IHRVCBJLIRMOSN-UHFFFAOYSA-N 0 0 186.207 1.059 10 0 ADAERN CCCCOC(=O)C[C@H](C)CCO 308168073 572886572 /nfs/dbraw/zinc/88/65/72/572886572.db2.gz SLAKBACVTNMQAO-SECBINFHSA-N 0 0 188.267 1.738 10 0 ADAERN COCOc1nc(C(C)C)no1 307968099 572886581 /nfs/dbraw/zinc/88/65/81/572886581.db2.gz DPQFRMTVNVDULV-UHFFFAOYSA-N 0 0 172.184 1.176 10 0 ADAERN CC(=O)c1n[nH]nc1C(C)(C)C 75615854 572886589 /nfs/dbraw/zinc/88/65/89/572886589.db2.gz AOVCMMKHOPYSIQ-UHFFFAOYSA-N 0 0 167.212 1.305 10 0 ADAERN CC(=O)N[C@H]1CCCCCC1=O 196576796 572886640 /nfs/dbraw/zinc/88/66/40/572886640.db2.gz WWCZJSIDFWIKFP-QMMMGPOBSA-N 0 0 169.224 1.024 10 0 ADAERN CC/C=C(/C)C(=O)OCC(C)=O 307968322 572886649 /nfs/dbraw/zinc/88/66/49/572886649.db2.gz DYANCHFPFBZIGD-ALCCZGGFSA-N 0 0 170.208 1.475 10 0 ADAERN C[C@H](O)CCN[C@H](C)C(F)(F)F 308166482 572886672 /nfs/dbraw/zinc/88/66/72/572886672.db2.gz VBDKJFCFWAYRLE-NTSWFWBYSA-N 0 0 185.189 1.298 10 0 ADAERN C[C@H]1Oc2ccc(F)cc2C[C@H]1CO 713618394 572886676 /nfs/dbraw/zinc/88/66/76/572886676.db2.gz RMCGXVUFSLMOLQ-APPZFPTMSA-N 0 0 196.221 1.758 10 0 ADAERN CC(=O)c1n[nH]nc1-c1cscn1 75615251 572886796 /nfs/dbraw/zinc/88/67/96/572886796.db2.gz AZSPWWNRCJHBJH-UHFFFAOYSA-N 0 0 194.219 1.131 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@H]1CCC1(C)C 308166977 572886737 /nfs/dbraw/zinc/88/67/37/572886737.db2.gz ZVKOEDQNKWBKTG-YUMQZZPRSA-N 0 0 185.267 1.628 10 0 ADAERN CC/C=C(\C)C(=O)OCC(C)=O 307968323 572886747 /nfs/dbraw/zinc/88/67/47/572886747.db2.gz DYANCHFPFBZIGD-FNORWQNLSA-N 0 0 170.208 1.475 10 0 ADAERN CC(=O)N[C@@H]1CCCCCC1=O 196576787 572886780 /nfs/dbraw/zinc/88/67/80/572886780.db2.gz WWCZJSIDFWIKFP-MRVPVSSYSA-N 0 0 169.224 1.024 10 0 ADAERN C[C@H](O)C[C@@H](C)O[C@H]1CCCCO1 308168108 572886817 /nfs/dbraw/zinc/88/68/17/572886817.db2.gz SRAPVENRBYOVRD-AEJSXWLSSA-N 0 0 188.267 1.689 10 0 ADAERN CCCC[C@@H](CO)[C@H](C)CO 116671184 572886850 /nfs/dbraw/zinc/88/68/50/572886850.db2.gz QFEOGYJAWSBEFU-BDAKNGLRSA-N 0 0 160.257 1.414 10 0 ADAERN Cc1ccc(F)c2c1C[C@@H](C)NC2=O 235392126 572886863 /nfs/dbraw/zinc/88/68/63/572886863.db2.gz FOUMYNDDAYPFME-SSDOTTSWSA-N 0 0 193.221 1.809 10 0 ADAERN Cn1cc(N)nc1Cc1ccccc1 75620474 572886872 /nfs/dbraw/zinc/88/68/72/572886872.db2.gz CMMJCJWBGHDVOD-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN CC(=O)c1ccnn1-c1ccon1 75619360 572886881 /nfs/dbraw/zinc/88/68/81/572886881.db2.gz ZOIODDKWGYBZJS-UHFFFAOYSA-N 0 0 177.163 1.063 10 0 ADAERN CC(C)c1cn2c(c1N)NC(=O)C2 75621623 572887099 /nfs/dbraw/zinc/88/70/99/572887099.db2.gz KCNXAEVMFKXAHF-UHFFFAOYSA-N 0 0 179.223 1.146 10 0 ADAERN Cn1cc(N)nc1-c1cccnc1 75620557 572886897 /nfs/dbraw/zinc/88/68/97/572886897.db2.gz QEULUBSBMCEUOW-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC(=O)c1n[nH]nc1-c1cc[nH]c1 75615448 572886903 /nfs/dbraw/zinc/88/69/03/572886903.db2.gz ZBDMYZWOEWAMAZ-UHFFFAOYSA-N 0 0 176.179 1.002 10 0 ADAERN CSCCOC(=O)[C@H]1CC1(C)C 308167298 572886909 /nfs/dbraw/zinc/88/69/09/572886909.db2.gz VEKSMVXLEPPCOM-SSDOTTSWSA-N 0 0 188.292 1.939 10 0 ADAERN CC[C@@H](OC)C(=O)N(CC)C(C)C 308167697 572886945 /nfs/dbraw/zinc/88/69/45/572886945.db2.gz AFWGEOGLVDBZDQ-SECBINFHSA-N 0 0 187.283 1.668 10 0 ADAERN Cn1cc(N)nc1-c1cccc(F)c1 75620465 572886948 /nfs/dbraw/zinc/88/69/48/572886948.db2.gz JNRXHXKYNWXOPW-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN COc1cccc(C(=O)[C@H](C)O)c1F 234880697 572886953 /nfs/dbraw/zinc/88/69/53/572886953.db2.gz ORTNEHFUUUPUGL-LURJTMIESA-N 0 0 198.193 1.398 10 0 ADAERN COC(=O)/C=C\[C@@H](C)[C@@H](O)C(C)C 308166770 572886960 /nfs/dbraw/zinc/88/69/60/572886960.db2.gz RVCQDVYXJXMOCJ-NOTZPTAZSA-N 0 0 186.251 1.369 10 0 ADAERN O[C@@H]1OCCC[C@@H]1Cc1ccccc1 196576075 572886989 /nfs/dbraw/zinc/88/69/89/572886989.db2.gz NWOOUVUXTQMNIB-VXGBXAGGSA-N 0 0 192.258 1.974 10 0 ADAERN CC1=C(CO)CC2(CC1)OCCO2 196576978 572886995 /nfs/dbraw/zinc/88/69/95/572886995.db2.gz RTLLJCGEBJOOEA-UHFFFAOYSA-N 0 0 184.235 1.222 10 0 ADAERN Cc1cc(-c2nc(N)cn2C)c(C)o1 75620606 572887110 /nfs/dbraw/zinc/88/71/10/572887110.db2.gz UKDDUAAWVYGLQF-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN CCOCCCC(=O)[C@H]1C[C@H]1OC 689510006 572887024 /nfs/dbraw/zinc/88/70/24/572887024.db2.gz VPUBVMIBEGSMNM-PSASIEDQSA-N 0 0 186.251 1.407 10 0 ADAERN CC(=O)c1ccnn1C[C@H]1CCCO1 75619280 572887052 /nfs/dbraw/zinc/88/70/52/572887052.db2.gz WAWNHFIHECUYNS-SECBINFHSA-N 0 0 194.234 1.265 10 0 ADAERN Cn1cc(N)nc1-c1ccccn1 75620562 572887058 /nfs/dbraw/zinc/88/70/58/572887058.db2.gz PPTDUHJELRMWRR-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC(C)[C@@H](C)C[NH+]1CC(C(=O)[O-])C1 308167492 572887059 /nfs/dbraw/zinc/88/70/59/572887059.db2.gz GLIXUTVZZRSALS-QMMMGPOBSA-N 0 0 185.267 1.295 10 0 ADAERN Cc1[nH]nc(-c2nc(N)cn2C)c1C 75620683 572887080 /nfs/dbraw/zinc/88/70/80/572887080.db2.gz QEOHRNQBJKDSOP-UHFFFAOYSA-N 0 0 191.238 1.009 10 0 ADAERN CO[C@H](C)C(=O)OC[C@@H]1C[C@H]1C 307970405 572887179 /nfs/dbraw/zinc/88/71/79/572887179.db2.gz GRZNXTLCGLJLOI-PRJMDXOYSA-N 0 0 172.224 1.221 10 0 ADAERN Cc1ccc(-c2nc(N)cn2C)cc1 75620451 572887133 /nfs/dbraw/zinc/88/71/33/572887133.db2.gz UDIOMHHLXJAPOL-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C[C@@H](/C=C1\OC(=O)OC1(C)C)CO 308166745 572887135 /nfs/dbraw/zinc/88/71/35/572887135.db2.gz RRHGXIMUWLMLJB-BBEKVSQQSA-N 0 0 186.207 1.444 10 0 ADAERN CCC(CC)Cc1nc(N)cn1C 75620421 572887137 /nfs/dbraw/zinc/88/71/37/572887137.db2.gz DHVKLDQLCFMVJL-UHFFFAOYSA-N 0 0 181.283 1.981 10 0 ADAERN Cc1noc(C)c1-c1nc(N)cn1C 75620525 572887155 /nfs/dbraw/zinc/88/71/55/572887155.db2.gz QXSCCVRZTJPKTF-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN CCC[C@@H](C)COC(=O)COC 307969899 572887160 /nfs/dbraw/zinc/88/71/60/572887160.db2.gz GFMZQHJZSIXFTI-MRVPVSSYSA-N 0 0 174.240 1.612 10 0 ADAERN CC(C)CC1(C(=O)N(C)C#N)CC1 308166213 572887167 /nfs/dbraw/zinc/88/71/67/572887167.db2.gz XRVPBQVKOLCRAU-UHFFFAOYSA-N 0 0 180.251 1.752 10 0 ADAERN Cc1scnc1-c1nc(N)cn1C 75620691 572887171 /nfs/dbraw/zinc/88/71/71/572887171.db2.gz OBGXMNITAPZTIK-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCC(CC)OC(=O)[C@@H]1CCCO1 308167519 572887184 /nfs/dbraw/zinc/88/71/84/572887184.db2.gz AHCFFPKGMWIMDM-VIFPVBQESA-N 0 0 186.251 1.897 10 0 ADAERN COC(C)(C)C(=O)OCC(F)F 307969575 572887196 /nfs/dbraw/zinc/88/71/96/572887196.db2.gz GBQFGPHBSBJJGT-UHFFFAOYSA-N 0 0 182.166 1.220 10 0 ADAERN Cn1cc(N)nc1Cc1cccs1 75620373 572887200 /nfs/dbraw/zinc/88/72/00/572887200.db2.gz LLGQHCYAOYMJJQ-UHFFFAOYSA-N 0 0 193.275 1.655 10 0 ADAERN C[NH2+][C@H](COC)c1sccc1F 307969766 572887201 /nfs/dbraw/zinc/88/72/01/572887201.db2.gz WFCYEJKNWHKHHF-SSDOTTSWSA-N 0 0 189.255 1.794 10 0 ADAERN CCn1nc(C)c(CC[C@@H](C)O)c1C 307969593 572887230 /nfs/dbraw/zinc/88/72/30/572887230.db2.gz DPVMZDSTSDHQHK-MRVPVSSYSA-N 0 0 196.294 1.833 10 0 ADAERN Cc1sncc1-c1n[nH]nc1C=O 75616876 572887243 /nfs/dbraw/zinc/88/72/43/572887243.db2.gz OUPFWKPANJYDPE-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN Cc1ncc(-c2n[nH]nc2C=O)s1 75616765 572887266 /nfs/dbraw/zinc/88/72/66/572887266.db2.gz DQLUKIYVRQTBCS-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN O=Cc1ccc(F)cc1/C=C\CO 308168139 572887288 /nfs/dbraw/zinc/88/72/88/572887288.db2.gz SUNAZLOGSTZYQD-UPHRSURJSA-N 0 0 180.178 1.644 10 0 ADAERN CCC[C@@H]1CN(CCF)CCO1 307970367 572887305 /nfs/dbraw/zinc/88/73/05/572887305.db2.gz GPMRQMSIGJSILW-SECBINFHSA-N 0 0 175.247 1.457 10 0 ADAERN Cc1nscc1-c1n[nH]nc1C=O 75616878 572887314 /nfs/dbraw/zinc/88/73/14/572887314.db2.gz MVDBQJPDLQDDEH-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN C[NH2+][C@@H](COC)c1sccc1F 307969767 572887330 /nfs/dbraw/zinc/88/73/30/572887330.db2.gz WFCYEJKNWHKHHF-ZETCQYMHSA-N 0 0 189.255 1.794 10 0 ADAERN CCC/C=C\C(=O)N(C)OCC 307969469 572887425 /nfs/dbraw/zinc/88/74/25/572887425.db2.gz FWJWJENAQQNTIA-FPLPWBNLSA-N 0 0 171.240 1.753 10 0 ADAERN CCC[C@H](O)[C@H](CCC)C(=O)OC 308168063 572887426 /nfs/dbraw/zinc/88/74/26/572887426.db2.gz SJMJCDMHHVUFIW-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN Cc1nc(-c2n[nH]nc2C=O)cs1 75616774 572887442 /nfs/dbraw/zinc/88/74/42/572887442.db2.gz MFYZOKKVYLFNQE-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN Cn1ccc(-c2nc(N)cn2C)c1 75620590 572887458 /nfs/dbraw/zinc/88/74/58/572887458.db2.gz WKNVVFAKJYQVAW-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN CC/C(=C\c1cncn1CC)CO 86209025 572887460 /nfs/dbraw/zinc/88/74/60/572887460.db2.gz BBXZVLDCGDJYHP-WEVVVXLNSA-N 0 0 180.251 1.689 10 0 ADAERN Cc1occc1-c1n[nH]nc1C=O 75616618 572887478 /nfs/dbraw/zinc/88/74/78/572887478.db2.gz XVQBWXQYSJHLLL-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)CCOCC 86203843 572887496 /nfs/dbraw/zinc/88/74/96/572887496.db2.gz WWBAJVTZGGHWLR-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1ccc(-c2n[nH]nc2C=O)s1 75616641 572887501 /nfs/dbraw/zinc/88/75/01/572887501.db2.gz VKXWQIXRSZCVPX-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN C[C@](O)(Cc1csnn1)CC1CC1 308166942 572887507 /nfs/dbraw/zinc/88/75/07/572887507.db2.gz ZRZNFNKXOIHVJS-SECBINFHSA-N 0 0 198.291 1.632 10 0 ADAERN Cn1cc(N)nc1-c1ccccc1F 75620469 572887529 /nfs/dbraw/zinc/88/75/29/572887529.db2.gz RWASIOUZBUNVOG-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN O=C(CCCCF)c1cnccn1 308166967 572887531 /nfs/dbraw/zinc/88/75/31/572887531.db2.gz ZUKHSWQGOVZVSG-UHFFFAOYSA-N 0 0 182.198 1.799 10 0 ADAERN C[C@H](O)CCN[C@@H](C)C(F)(F)F 308166486 572887547 /nfs/dbraw/zinc/88/75/47/572887547.db2.gz VBDKJFCFWAYRLE-WDSKDSINSA-N 0 0 185.189 1.298 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CCC1(C)C 308166975 572887572 /nfs/dbraw/zinc/88/75/72/572887572.db2.gz ZVKOEDQNKWBKTG-JGVFFNPUSA-N 0 0 185.267 1.628 10 0 ADAERN S=c1[nH]ccn1CCOCC1CC1 236638491 572887612 /nfs/dbraw/zinc/88/76/12/572887612.db2.gz BCRDFPHUOAWGFS-UHFFFAOYSA-N 0 0 198.291 1.598 10 0 ADAERN Cc1n[nH]c(C)c1-c1nc(N)cn1C 75620646 572887678 /nfs/dbraw/zinc/88/76/78/572887678.db2.gz ILPWBXZGDVWAQV-UHFFFAOYSA-N 0 0 191.238 1.009 10 0 ADAERN Cn1cc(N)nc1Cc1ccco1 75620371 572887698 /nfs/dbraw/zinc/88/76/98/572887698.db2.gz HNFBEQSSRNHROU-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN CCOCC[C@@]1(O)C[C@H]1CC 86200958 572887720 /nfs/dbraw/zinc/88/77/20/572887720.db2.gz GYXYQLFZIQPQIF-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CCOC(=O)/C=C(\C)[C@@H](C)CO 307969775 572887724 /nfs/dbraw/zinc/88/77/24/572887724.db2.gz WFWCNTFQDSUCKA-IVGLGHLBSA-N 0 0 172.224 1.124 10 0 ADAERN CC[C@@H](F)COC(=O)[C@@H](CC)OC 308168165 572887768 /nfs/dbraw/zinc/88/77/68/572887768.db2.gz AJNLQMSZPXDROZ-HTQZYQBOSA-N 0 0 192.230 1.703 10 0 ADAERN Cn1cc(N)nc1-c1ccc(F)cc1 75620458 572887821 /nfs/dbraw/zinc/88/78/21/572887821.db2.gz JZDXVFJWKBBKKT-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN CC(=O)CCCSC1COC1 86195507 572887827 /nfs/dbraw/zinc/88/78/27/572887827.db2.gz UXWDDVFJMBAKNI-UHFFFAOYSA-N 0 0 174.265 1.488 10 0 ADAERN Cc1cccc(-c2nc(N)cn2C)c1 75620459 572887870 /nfs/dbraw/zinc/88/78/70/572887870.db2.gz KFWVZTZVLLUIKN-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN [NH3+]CCCCCCC/C=C\C(=O)[O-] 118792539 572887880 /nfs/dbraw/zinc/88/78/80/572887880.db2.gz DFLXEAPGLFGJKD-VURMDHGXSA-N 0 0 185.267 1.927 10 0 ADAERN CCC[C@H](C)COC(=O)COC 307969900 572887907 /nfs/dbraw/zinc/88/79/07/572887907.db2.gz GFMZQHJZSIXFTI-QMMMGPOBSA-N 0 0 174.240 1.612 10 0 ADAERN CC[C@H](C)ONC(=O)[C@@H](C)CC 307977924 572887912 /nfs/dbraw/zinc/88/79/12/572887912.db2.gz MQDYTMGUVCDZOC-YUMQZZPRSA-N 0 0 173.256 1.879 10 0 ADAERN CC(C)C[C@@H](NN)c1ccc[nH]1 307969783 572887928 /nfs/dbraw/zinc/88/79/28/572887928.db2.gz WGIZSJWRQCXUKS-SECBINFHSA-N 0 0 167.256 1.565 10 0 ADAERN CCC1(C(=O)OC2COC2)CC1 307970066 572887960 /nfs/dbraw/zinc/88/79/60/572887960.db2.gz GJGMLGGXZAMVIJ-UHFFFAOYSA-N 0 0 170.208 1.119 10 0 ADAERN CC[P@](=O)([O-])[C@H]([NH3+])c1ccccc1 196579830 572887967 /nfs/dbraw/zinc/88/79/67/572887967.db2.gz YUDLKQRIMRYLDC-VIFPVBQESA-N 0 0 199.190 1.934 10 0 ADAERN CC(C)NC(=S)NCCCCF 307970191 572887977 /nfs/dbraw/zinc/88/79/77/572887977.db2.gz WQDYTDVWZJNTOQ-UHFFFAOYSA-N 0 0 192.303 1.609 10 0 ADAERN CCC[C@H]1CN(CCF)CCO1 307970368 572887986 /nfs/dbraw/zinc/88/79/86/572887986.db2.gz GPMRQMSIGJSILW-VIFPVBQESA-N 0 0 175.247 1.457 10 0 ADAERN CCCOCC[C@@]1(O)C[C@H]1CC 86200217 572887992 /nfs/dbraw/zinc/88/79/92/572887992.db2.gz RGXITUSBIULOSM-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CC/C(=C\c1ccc[nH]1)CO 86209175 572888005 /nfs/dbraw/zinc/88/80/05/572888005.db2.gz WGIXEUSETRGAOB-SOFGYWHQSA-N 0 0 151.209 1.800 10 0 ADAERN CC(C)(C)NC(=O)/C=C\C1CC1 307970494 572888011 /nfs/dbraw/zinc/88/80/11/572888011.db2.gz WYUAWYGEBRXVNX-SREVYHEPSA-N 0 0 167.252 1.867 10 0 ADAERN CO[C@H](C)C(=O)OC[C@H]1C[C@H]1C 307970404 572888109 /nfs/dbraw/zinc/88/81/09/572888109.db2.gz GRZNXTLCGLJLOI-BWZBUEFSSA-N 0 0 172.224 1.221 10 0 ADAERN COC(=O)[C@H](OC)c1ccc(N)cc1 118791013 572888112 /nfs/dbraw/zinc/88/81/12/572888112.db2.gz RMQXPBMZIWZIRC-SECBINFHSA-N 0 0 195.218 1.129 10 0 ADAERN Cc1ncsc1-c1n[nH]nc1C=O 75616771 572888118 /nfs/dbraw/zinc/88/81/18/572888118.db2.gz HBONXODMROGJOM-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN COCc1nnc(CC(C)C)o1 307970120 572888140 /nfs/dbraw/zinc/88/81/40/572888140.db2.gz GMAFLRLSVVMOPZ-UHFFFAOYSA-N 0 0 170.212 1.415 10 0 ADAERN CCOC(=O)C1CC[C@H](O)C=C1C 308168884 572888173 /nfs/dbraw/zinc/88/81/73/572888173.db2.gz TVDUUWTZMGUSBC-VPOJCXOPSA-N 0 0 184.235 1.894 10 0 ADAERN CC1(C)SCCS[C@H]1O 196579353 572888184 /nfs/dbraw/zinc/88/81/84/572888184.db2.gz DNHWWXGUFUAZGR-RXMQYKEDSA-N 0 0 164.295 1.563 10 0 ADAERN CO[C@@H](C)c1nnc(CSC)o1 308168920 572888194 /nfs/dbraw/zinc/88/81/94/572888194.db2.gz VTMMGDVMYZAJGJ-YFKPBYRVSA-N 0 0 188.252 1.640 10 0 ADAERN CC(=O)c1n[nH]nc1-c1ccc(C)o1 75615092 572888242 /nfs/dbraw/zinc/88/82/42/572888242.db2.gz MXRMEQXEVRKZSM-UHFFFAOYSA-N 0 0 191.190 1.576 10 0 ADAERN Cn1cc(N)nc1-c1ccncc1 75620565 572888261 /nfs/dbraw/zinc/88/82/61/572888261.db2.gz GOFIEALZBVWZKO-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN O=Cc1n[nH]nc1C1CCCCC1 75617555 572888307 /nfs/dbraw/zinc/88/83/07/572888307.db2.gz QIQREJKRHYWLLS-UHFFFAOYSA-N 0 0 179.223 1.665 10 0 ADAERN CC(C)[C@H]1NC(=O)O[C@H]1C 196578085 572888314 /nfs/dbraw/zinc/88/83/14/572888314.db2.gz DXKWZMBVJVXZPZ-NTSWFWBYSA-N 0 0 143.186 1.139 10 0 ADAERN Cn1cc(N)nc1Cc1cscn1 75620512 572888330 /nfs/dbraw/zinc/88/83/30/572888330.db2.gz UDCDDKZQIABGMY-UHFFFAOYSA-N 0 0 194.263 1.050 10 0 ADAERN CC(C)(C)SCC(=O)NCCF 307970499 572888338 /nfs/dbraw/zinc/88/83/38/572888338.db2.gz WZAFLBRXXUPWHX-UHFFFAOYSA-N 0 0 193.287 1.604 10 0 ADAERN CON(CCO)CC1CCCC1 307970331 572889079 /nfs/dbraw/zinc/88/90/79/572889079.db2.gz GNEFXITVIHDCQE-UHFFFAOYSA-N 0 0 173.256 1.032 10 0 ADAERN CC[C@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)[O-] 308168577 572888362 /nfs/dbraw/zinc/88/83/62/572888362.db2.gz BPBSXNSPRDDOFZ-VGMNWLOBSA-N 0 0 185.267 1.628 10 0 ADAERN CCON(C)C(=O)C[C@H](C)CC 308169974 572888369 /nfs/dbraw/zinc/88/83/69/572888369.db2.gz WIBRNQMQYQNXKY-MRVPVSSYSA-N 0 0 173.256 1.833 10 0 ADAERN CC(=O)c1n[nH]nc1-c1ccoc1C 75615098 572888388 /nfs/dbraw/zinc/88/83/88/572888388.db2.gz GQUVGQIELAEESH-UHFFFAOYSA-N 0 0 191.190 1.576 10 0 ADAERN CC[P@@](=O)([O-])[C@H]([NH3+])C(C)C 196579802 572888394 /nfs/dbraw/zinc/88/83/94/572888394.db2.gz BVNNPWVLOKIVSP-LURJTMIESA-N 0 0 165.173 1.218 10 0 ADAERN CC(=O)c1n[nH]nc1-c1cnsc1 75615341 572888397 /nfs/dbraw/zinc/88/83/97/572888397.db2.gz BUXJAQWYEHOVNK-UHFFFAOYSA-N 0 0 194.219 1.131 10 0 ADAERN CC/C(C)=C(/C)C(=O)N1CCCO1 308169970 572888399 /nfs/dbraw/zinc/88/83/99/572888399.db2.gz CCZCDFQOPKPBON-HJWRWDBZSA-N 0 0 183.251 1.897 10 0 ADAERN CC[C@H](C)OC(=O)c1cn[nH]c1 307969910 572888400 /nfs/dbraw/zinc/88/84/00/572888400.db2.gz GGJXBNFXMRNEDM-LURJTMIESA-N 0 0 168.196 1.365 10 0 ADAERN CC(C)(C)c1cn2c(c1N)NC(=O)C2 75621619 572888970 /nfs/dbraw/zinc/88/89/70/572888970.db2.gz RVALSXMILMNNSP-UHFFFAOYSA-N 0 0 193.250 1.320 10 0 ADAERN Cc1nc(C)c(-c2nc(N)cn2C)o1 75620705 572888425 /nfs/dbraw/zinc/88/84/25/572888425.db2.gz IGUXDRCUGVEXGS-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN CON[C@@H](Cn1cccn1)C(C)C 308169265 572888426 /nfs/dbraw/zinc/88/84/26/572888426.db2.gz BVSAHSYEKVUCAT-VIFPVBQESA-N 0 0 183.255 1.059 10 0 ADAERN CCCOCCOC(=O)C1CC1 307969573 572888451 /nfs/dbraw/zinc/88/84/51/572888451.db2.gz GBOMOAWZJNYRNC-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN COC(C[C@@H](C)[C@H](O)C(C)C)OC 308170047 572888470 /nfs/dbraw/zinc/88/84/70/572888470.db2.gz UQWICRHCIZLSLK-PSASIEDQSA-N 0 0 190.283 1.648 10 0 ADAERN CO[C@H](C)C(=O)OCC1(C)CC1 307970116 572888973 /nfs/dbraw/zinc/88/89/73/572888973.db2.gz GLWTUWYCMULXGX-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN Cc1cccc(-c2n[nH]nc2C=O)c1 75617426 572888494 /nfs/dbraw/zinc/88/84/94/572888494.db2.gz BJTMJWLOHUVZBS-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN CO[C@H](C)C(=O)OC[C@@H]1C[C@@H]1C 307970406 572888499 /nfs/dbraw/zinc/88/84/99/572888499.db2.gz GRZNXTLCGLJLOI-RNJXMRFFSA-N 0 0 172.224 1.221 10 0 ADAERN CCNS(=O)(=O)[C@H](C)CC(C)C 307970130 572888506 /nfs/dbraw/zinc/88/85/06/572888506.db2.gz GMJCYHHUSDDCSC-MRVPVSSYSA-N 0 0 193.312 1.360 10 0 ADAERN CO[C@@H](C)C(=O)OCC1(C)CC1 307970118 572888510 /nfs/dbraw/zinc/88/85/10/572888510.db2.gz GLWTUWYCMULXGX-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN CCC/C=C\CC[S@@](=O)CCO 307977931 572888515 /nfs/dbraw/zinc/88/85/15/572888515.db2.gz MQKJXNUVJQHVPR-QMAVJUDZSA-N 0 0 190.308 1.474 10 0 ADAERN CCCCOC(=O)[C@@H](C)N(C)OC 308169911 572888548 /nfs/dbraw/zinc/88/85/48/572888548.db2.gz AZOCULDKPDHLDJ-MRVPVSSYSA-N 0 0 189.255 1.211 10 0 ADAERN CC1(C)SCCS[C@@H]1O 196579360 572888565 /nfs/dbraw/zinc/88/85/65/572888565.db2.gz DNHWWXGUFUAZGR-YFKPBYRVSA-N 0 0 164.295 1.563 10 0 ADAERN Cc1[nH]cc(-c2n[nH]nc2C=O)c1C 75616981 572888572 /nfs/dbraw/zinc/88/85/72/572888572.db2.gz YKLRQJUYBFQXHT-UHFFFAOYSA-N 0 0 190.206 1.229 10 0 ADAERN Cc1cc(-c2n[nH]nc2C=O)sn1 75616882 572888600 /nfs/dbraw/zinc/88/86/00/572888600.db2.gz PDXVNLINBKTDLC-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN CCC[C@@H]1C[C@]1(O)CCOCC 86203839 572888603 /nfs/dbraw/zinc/88/86/03/572888603.db2.gz WWBAJVTZGGHWLR-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCOCC[C@]1(O)C[C@H]1C 86197363 572888614 /nfs/dbraw/zinc/88/86/14/572888614.db2.gz OWRFXQSABKOSGO-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CC[P@@](=O)([O-])[C@@H]([NH3+])C(C)C 196579816 572888639 /nfs/dbraw/zinc/88/86/39/572888639.db2.gz BVNNPWVLOKIVSP-ZCFIWIBFSA-N 0 0 165.173 1.218 10 0 ADAERN CCC[C@H]1C[C@]1(O)CCOC 86203415 572888646 /nfs/dbraw/zinc/88/86/46/572888646.db2.gz FCIVYNBAPBHEIS-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN Cn1cc(N)nc1-c1cncs1 75620695 572888654 /nfs/dbraw/zinc/88/86/54/572888654.db2.gz JZAHWYKSKCVVAL-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cc(N)nc1-c1cscn1 75620596 572888661 /nfs/dbraw/zinc/88/86/61/572888661.db2.gz JQYWUAIXQAZFKG-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN C/C=C\COC(=O)CCCOC 307970095 572888681 /nfs/dbraw/zinc/88/86/81/572888681.db2.gz GKUKUVPHYYKCSC-ARJAWSKDSA-N 0 0 172.224 1.532 10 0 ADAERN Nc1ccc(CNCCF)c(F)c1 308169866 572888694 /nfs/dbraw/zinc/88/86/94/572888694.db2.gz CAGRIMGDEQGOJQ-UHFFFAOYSA-N 0 0 186.205 1.467 10 0 ADAERN CCC/C=C/C(=O)N(C)OCC 307969468 572888724 /nfs/dbraw/zinc/88/87/24/572888724.db2.gz FWJWJENAQQNTIA-BQYQJAHWSA-N 0 0 171.240 1.753 10 0 ADAERN COCOC(=O)c1ccc(C)o1 307970147 572888731 /nfs/dbraw/zinc/88/87/31/572888731.db2.gz GMXGWDFOSGMTJA-UHFFFAOYSA-N 0 0 170.164 1.349 10 0 ADAERN CCC/C=C/CC[S@@](=O)CCO 307977933 572888751 /nfs/dbraw/zinc/88/87/51/572888751.db2.gz MQKJXNUVJQHVPR-ZYOFXKKJSA-N 0 0 190.308 1.474 10 0 ADAERN CCC1(CC)SCCO[C@H]1O 196579457 572888754 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572894079 /nfs/dbraw/zinc/89/40/79/572894079.db2.gz CDEXAZJBZYLRKM-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN C/C=C\[C@@H](O)[C@@H](C)C(=O)SCC 307974430 572894096 /nfs/dbraw/zinc/89/40/96/572894096.db2.gz DECBDYFMGUWARJ-QYPICMNDSA-N 0 0 188.292 1.839 10 0 ADAERN Cc1cc(C(=O)CCCO)ccc1O 75596152 572894111 /nfs/dbraw/zinc/89/41/11/572894111.db2.gz FMHGCXWHWKOZPE-UHFFFAOYSA-N 0 0 194.230 1.656 10 0 ADAERN CCO[C@H]1C[C@@H]1[NH2+]CC1(F)CC1 307974136 572894241 /nfs/dbraw/zinc/89/42/41/572894241.db2.gz JJKMQLSCDYDHLB-YUMQZZPRSA-N 0 0 173.231 1.256 10 0 ADAERN CCC(CC)[C@H]1CC[NH2+][C@@H]1C(=O)[O-] 86229312 572894260 /nfs/dbraw/zinc/89/42/60/572894260.db2.gz IEPZVMBTLDYEHY-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@@H](CCCCC[NH3+])C(=O)[O-] 118901944 572894297 /nfs/dbraw/zinc/89/42/97/572894297.db2.gz ZYXABJAIDSRIAG-QMMMGPOBSA-N 0 0 173.256 1.616 10 0 ADAERN CCOC1(OCC)CC[C@H]1C(C)=O 307974049 572894314 /nfs/dbraw/zinc/89/43/14/572894314.db2.gz OPYRNXWMAHROQT-VIFPVBQESA-N 0 0 186.251 1.755 10 0 ADAERN COC[C@@H](C)Oc1ccc(N)nc1 307973331 572894336 /nfs/dbraw/zinc/89/43/36/572894336.db2.gz ZXTRYCQTGIVFKU-SSDOTTSWSA-N 0 0 182.223 1.078 10 0 ADAERN CCCN(C(N)=O)c1ccccc1O 75596552 572894338 /nfs/dbraw/zinc/89/43/38/572894338.db2.gz JVDUOGWSHDXZQZ-UHFFFAOYSA-N 0 0 194.234 1.687 10 0 ADAERN C[C@@H]1CN(C)c2occc2N1 75596889 572894361 /nfs/dbraw/zinc/89/43/61/572894361.db2.gz WJICAPRIWPFJDN-ZCFIWIBFSA-N 0 0 152.197 1.530 10 0 ADAERN CCOC(=O)NC[C@@H](CC)OC 307974649 572894365 /nfs/dbraw/zinc/89/43/65/572894365.db2.gz JTUJFCVXLAAPFW-SSDOTTSWSA-N 0 0 175.228 1.158 10 0 ADAERN CCC[C@H](C)[C@H](C)[C@@H]([NH3+])CC(=O)[O-] 118896190 572894370 /nfs/dbraw/zinc/89/43/70/572894370.db2.gz HLISOYNJVMWYQM-CIUDSAMLSA-N 0 0 187.283 1.861 10 0 ADAERN CCCSCC(=O)N(C)OCC 307973814 572894382 /nfs/dbraw/zinc/89/43/82/572894382.db2.gz JFPNRDUZUGPURW-UHFFFAOYSA-N 0 0 191.296 1.540 10 0 ADAERN CCOC1(OCC)CC[C@@H]1C(C)=O 307974047 572894387 /nfs/dbraw/zinc/89/43/87/572894387.db2.gz OPYRNXWMAHROQT-SECBINFHSA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)N1c2[nH]ccc2N(C)C[C@H]1C 75597562 572894399 /nfs/dbraw/zinc/89/43/99/572894399.db2.gz JHNXUTBKUXELSK-SSDOTTSWSA-N 0 0 193.250 1.206 10 0 ADAERN CCC(CC)[C@@H]1CC[NH2+][C@H]1C(=O)[O-] 86229313 572894402 /nfs/dbraw/zinc/89/44/02/572894402.db2.gz IEPZVMBTLDYEHY-DTWKUNHWSA-N 0 0 185.267 1.485 10 0 ADAERN CN1CC(C)(C)Oc2ccoc21 75595813 572894428 /nfs/dbraw/zinc/89/44/28/572894428.db2.gz WCMXORWKPOKWHH-UHFFFAOYSA-N 0 0 167.208 1.887 10 0 ADAERN CCO[C@@H]1C[C@H]1[NH2+]CC1(F)CC1 307974133 572894429 /nfs/dbraw/zinc/89/44/29/572894429.db2.gz JJKMQLSCDYDHLB-HTQZYQBOSA-N 0 0 173.231 1.256 10 0 ADAERN CC(C)[C@H](CO)[C@H](O)C(F)(F)F 210256339 572894439 /nfs/dbraw/zinc/89/44/39/572894439.db2.gz MILBHVSRJPGBTD-WDSKDSINSA-N 0 0 186.173 1.174 10 0 ADAERN CC(=O)N1CC(C)(C)Oc2ccoc21 75595906 572894446 /nfs/dbraw/zinc/89/44/46/572894446.db2.gz GXVMSUPDGUBYFW-UHFFFAOYSA-N 0 0 195.218 1.804 10 0 ADAERN CC(=O)N1C[C@H](C)N(C)c2c[nH]cc21 75597559 572894452 /nfs/dbraw/zinc/89/44/52/572894452.db2.gz VQBJAFBSCSFHEH-ZETCQYMHSA-N 0 0 193.250 1.206 10 0 ADAERN Cc1c(N)sc2c1C(=O)COC2 75627839 572894456 /nfs/dbraw/zinc/89/44/56/572894456.db2.gz NHPNWVPEWNLALH-UHFFFAOYSA-N 0 0 183.232 1.352 10 0 ADAERN COC(=O)[C@@H](C)Cc1ccc(O)cc1 75595850 572895375 /nfs/dbraw/zinc/89/53/75/572895375.db2.gz WRKKBDIQKYNZTJ-QMMMGPOBSA-N 0 0 194.230 1.744 10 0 ADAERN c1cc2c(o1)SCCN2 75596245 572894476 /nfs/dbraw/zinc/89/44/76/572894476.db2.gz DBNYGVOGGZIQDS-UHFFFAOYSA-N 0 0 141.195 1.797 10 0 ADAERN CCN(OC)C(=O)C1CC(F)(F)C1 308174182 572894486 /nfs/dbraw/zinc/89/44/86/572894486.db2.gz CPYCEJXKXKHGOS-UHFFFAOYSA-N 0 0 193.193 1.442 10 0 ADAERN C=C/C(C)=C/CC(=O)NOCC 308164159 572894495 /nfs/dbraw/zinc/89/44/95/572894495.db2.gz TWJAJZBYMLBYFW-SOFGYWHQSA-N 0 0 169.224 1.577 10 0 ADAERN CC(=O)N1c2c[nH]cc2N(C)C[C@H]1C 75597584 572894503 /nfs/dbraw/zinc/89/45/03/572894503.db2.gz FCXULHGAJWEXJG-SSDOTTSWSA-N 0 0 193.250 1.206 10 0 ADAERN Cc1nccn1C[C@@H](O)CC(C)C 308163765 572894512 /nfs/dbraw/zinc/89/45/12/572894512.db2.gz WMQVISIHQUXVOW-JTQLQIEISA-N 0 0 182.267 1.599 10 0 ADAERN CCc1nnc(SCCF)n1C 308163707 572894519 /nfs/dbraw/zinc/89/45/19/572894519.db2.gz SWKBBARUQVQZSA-UHFFFAOYSA-N 0 0 189.259 1.439 10 0 ADAERN CC(C)[C@@H]1C(=O)Nc2c[nH]cc2N1C 75597490 572894532 /nfs/dbraw/zinc/89/45/32/572894532.db2.gz BEEQQMXZCVDKLE-SECBINFHSA-N 0 0 193.250 1.428 10 0 ADAERN CCCCCOCC(=O)OC1CC1 308174161 572894541 /nfs/dbraw/zinc/89/45/41/572894541.db2.gz CPSPUDMKOLWIPS-UHFFFAOYSA-N 0 0 186.251 1.899 10 0 ADAERN CCc1c(C(=O)[O-])oc2c1[C@H]([NH3+])CC2 75656635 572894555 /nfs/dbraw/zinc/89/45/55/572894555.db2.gz UCSBDWUYMVNRJF-ZCFIWIBFSA-N 0 0 195.218 1.486 10 0 ADAERN CC(=O)N1CCOc2occc21 75595872 572894570 /nfs/dbraw/zinc/89/45/70/572894570.db2.gz KJPXGNMZZBVOOU-UHFFFAOYSA-N 0 0 167.164 1.025 10 0 ADAERN c1cc2c(o1)NCCS2 75596313 572894574 /nfs/dbraw/zinc/89/45/74/572894574.db2.gz UTMLBKRJHRHSAH-UHFFFAOYSA-N 0 0 141.195 1.797 10 0 ADAERN C[C@@H]1CN(C)c2occc2O1 75595719 572894576 /nfs/dbraw/zinc/89/45/76/572894576.db2.gz XDXKRKFSVUKNED-ZCFIWIBFSA-N 0 0 153.181 1.497 10 0 ADAERN Cc1c(C(=O)[O-])oc2c1[C@@H]([NH3+])CC2 75656669 572894639 /nfs/dbraw/zinc/89/46/39/572894639.db2.gz FFMCNFXMCZEWPM-YFKPBYRVSA-N 0 0 181.191 1.232 10 0 ADAERN CC(C)[C@@H](CO)[S@](=O)C(C)(C)C 307973189 572894648 /nfs/dbraw/zinc/89/46/48/572894648.db2.gz ZYFWJOCQEJNSBX-PELKAZGASA-N 0 0 192.324 1.551 10 0 ADAERN C[C@H]1CN(C)c2occc2O1 75595720 572894654 /nfs/dbraw/zinc/89/46/54/572894654.db2.gz XDXKRKFSVUKNED-LURJTMIESA-N 0 0 153.181 1.497 10 0 ADAERN CCO[C@H]1C[C@H]1[NH2+]CC1(F)CC1 307974135 572894671 /nfs/dbraw/zinc/89/46/71/572894671.db2.gz JJKMQLSCDYDHLB-SFYZADRCSA-N 0 0 173.231 1.256 10 0 ADAERN CCOCc1noc(CSC)n1 308164693 572894686 /nfs/dbraw/zinc/89/46/86/572894686.db2.gz UDKOWUMBAMHSJJ-UHFFFAOYSA-N 0 0 188.252 1.469 10 0 ADAERN CCN(Cc1ncccc1N)OC 308174209 572894693 /nfs/dbraw/zinc/89/46/93/572894693.db2.gz DTFMIYIKOTTYQQ-UHFFFAOYSA-N 0 0 181.239 1.047 10 0 ADAERN CN1CCSc2ccoc21 75596833 572894729 /nfs/dbraw/zinc/89/47/29/572894729.db2.gz CTMIQSKEQHQOOI-UHFFFAOYSA-N 0 0 155.222 1.822 10 0 ADAERN CCOC(=O)[C@@](C)(F)[C@H](O)CC 307974437 572894731 /nfs/dbraw/zinc/89/47/31/572894731.db2.gz DEILIVCBEJDFKL-SVRRBLITSA-N 0 0 178.203 1.049 10 0 ADAERN CC1(C)CNc2ccoc2O1 75596103 572894735 /nfs/dbraw/zinc/89/47/35/572894735.db2.gz GRIJKFRRMUBUKN-UHFFFAOYSA-N 0 0 153.181 1.863 10 0 ADAERN C/C=C\[C@@H](O)[C@@H](O)c1ccccc1 308164737 572894754 /nfs/dbraw/zinc/89/47/54/572894754.db2.gz PPWSYJNJVOLOQY-FJJMOOCKSA-N 0 0 178.231 1.657 10 0 ADAERN CCCC(=O)[C@@H](O)c1ccc(O)cc1 75596037 572894773 /nfs/dbraw/zinc/89/47/73/572894773.db2.gz FDJVWZGPVLLAFH-NSHDSACASA-N 0 0 194.230 1.795 10 0 ADAERN CCC/C(=C\C[C@@H](C)O)C(=O)OC 308163284 572894780 /nfs/dbraw/zinc/89/47/80/572894780.db2.gz OFKWLCPFTPDOIM-KGOFQHAKSA-N 0 0 186.251 1.657 10 0 ADAERN CCCCc1nc(CO)cc(=O)[nH]1 308163151 572894801 /nfs/dbraw/zinc/89/48/01/572894801.db2.gz XYAIYFNHUPJTGA-UHFFFAOYSA-N 0 0 182.223 1.017 10 0 ADAERN CCC(=O)O/C=C\[C@H](O)C(C)C 307974562 572894818 /nfs/dbraw/zinc/89/48/18/572894818.db2.gz DMVBLRIDQXLDCC-SLGIHZDVSA-N 0 0 172.224 1.470 10 0 ADAERN CC(C)[C@H](CO)[S@@](=O)C(C)(C)C 307973191 572894831 /nfs/dbraw/zinc/89/48/31/572894831.db2.gz ZYFWJOCQEJNSBX-QPUJVOFHSA-N 0 0 192.324 1.551 10 0 ADAERN CCCN(C)C(=O)C1=CCCO1 307973442 572894836 /nfs/dbraw/zinc/89/48/36/572894836.db2.gz IUFDABBTYNKOMO-UHFFFAOYSA-N 0 0 169.224 1.159 10 0 ADAERN CC(C)[C@H](OCC(F)(F)F)C(N)=O 308164384 572894843 /nfs/dbraw/zinc/89/48/43/572894843.db2.gz WSBWSWATTNOQPQ-YFKPBYRVSA-N 0 0 199.172 1.075 10 0 ADAERN CCCCCn1c(C)noc1=O 307973422 572894847 /nfs/dbraw/zinc/89/48/47/572894847.db2.gz ISXUMEMHBKNWDI-UHFFFAOYSA-N 0 0 170.212 1.335 10 0 ADAERN COCCSCc1ncoc1C 307974262 572894861 /nfs/dbraw/zinc/89/48/61/572894861.db2.gz JPQCQFPEIBUEBR-UHFFFAOYSA-N 0 0 187.264 1.863 10 0 ADAERN CCC(CC)[C@@H]1CC[NH2+][C@@H]1C(=O)[O-] 86229311 572894927 /nfs/dbraw/zinc/89/49/27/572894927.db2.gz IEPZVMBTLDYEHY-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)N1c2[nH]ccc2N(C)C[C@@H]1C 75597564 572894928 /nfs/dbraw/zinc/89/49/28/572894928.db2.gz JHNXUTBKUXELSK-ZETCQYMHSA-N 0 0 193.250 1.206 10 0 ADAERN CCN(CCF)Cc1nccs1 307974099 572894970 /nfs/dbraw/zinc/89/49/70/572894970.db2.gz JHKPCGOFDGJVEF-UHFFFAOYSA-N 0 0 188.271 1.935 10 0 ADAERN CC(C)/C=C/C(=O)NOCC(C)C 308163797 572895395 /nfs/dbraw/zinc/89/53/95/572895395.db2.gz WOACCYNPXSENSE-AATRIKPKSA-N 0 0 185.267 1.902 10 0 ADAERN C=CC(=O)N[C@H](CO)CC(C)(C)C 308163356 572894998 /nfs/dbraw/zinc/89/49/98/572894998.db2.gz WHUJODNKRYSXFT-QMMMGPOBSA-N 0 0 185.267 1.086 10 0 ADAERN C/C=C\[C@H](O)[C@H](C)C(=O)SCC 307974432 572895003 /nfs/dbraw/zinc/89/50/03/572895003.db2.gz DECBDYFMGUWARJ-RGGFDPLPSA-N 0 0 188.292 1.839 10 0 ADAERN C[C@H]1C[C@H](C)CCN1c1nnc(N)o1 235393138 572895004 /nfs/dbraw/zinc/89/50/04/572895004.db2.gz HCUKEIKAHISSNN-RQJHMYQMSA-N 0 0 196.254 1.277 10 0 ADAERN C/C=C/C=C\C[C@](O)(/C=C/C)CO 308163941 572895055 /nfs/dbraw/zinc/89/50/55/572895055.db2.gz OXRRGRAFJNBWTL-ONXVQOSOSA-N 0 0 182.263 1.808 10 0 ADAERN COC1(CN2CN=NC2=S)CCC1 234887984 572895068 /nfs/dbraw/zinc/89/50/68/572895068.db2.gz SCRODUZWGHNGGT-UHFFFAOYSA-N 0 0 199.279 1.136 10 0 ADAERN CC(C)[C@@H](CO)[S@@](=O)C(C)(C)C 307973190 572895077 /nfs/dbraw/zinc/89/50/77/572895077.db2.gz ZYFWJOCQEJNSBX-PRHODGIISA-N 0 0 192.324 1.551 10 0 ADAERN COC(=O)CCc1cc(C=O)[nH]c1C 75597781 572895083 /nfs/dbraw/zinc/89/50/83/572895083.db2.gz UPUZPLUBGJXVCU-UHFFFAOYSA-N 0 0 195.218 1.241 10 0 ADAERN CCC[C@H](C)n1nncc1C(C)=O 308163564 572895088 /nfs/dbraw/zinc/89/50/88/572895088.db2.gz YBZTUKQZIGSANY-ZETCQYMHSA-N 0 0 181.239 1.842 10 0 ADAERN C/C(=C/Cl)C[C@@H](CC[NH3+])C(=O)[O-] 307973674 572895105 /nfs/dbraw/zinc/89/51/05/572895105.db2.gz CCPHQBBHOHUFJM-KXTMECRCSA-N 0 0 191.658 1.569 10 0 ADAERN COCCOc1cccc(C)c1C=O 75596363 572895114 /nfs/dbraw/zinc/89/51/14/572895114.db2.gz AGWHFGSBWUGOCN-UHFFFAOYSA-N 0 0 194.230 1.833 10 0 ADAERN CCC(CC)[C@H]1CC[NH2+][C@H]1C(=O)[O-] 86229314 572895139 /nfs/dbraw/zinc/89/51/39/572895139.db2.gz IEPZVMBTLDYEHY-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN [NH3+][C@H]1CCc2sc(C(=O)[O-])cc21 75628919 572895403 /nfs/dbraw/zinc/89/54/03/572895403.db2.gz XTJZQGUSUDLHDW-YFKPBYRVSA-N 0 0 183.232 1.392 10 0 ADAERN CC[C@H](C)[C@H](O)[C@](C)(O)C(C)C 307974082 572895192 /nfs/dbraw/zinc/89/51/92/572895192.db2.gz CXSDGXFEBKWQON-LPEHRKFASA-N 0 0 174.284 1.800 10 0 ADAERN CONCc1nnc(C(F)F)s1 307973445 572895203 /nfs/dbraw/zinc/89/52/03/572895203.db2.gz IUHZUKISVMDSBK-UHFFFAOYSA-N 0 0 195.194 1.127 10 0 ADAERN c1cc2c(o1)OCCN2 75596099 572895228 /nfs/dbraw/zinc/89/52/28/572895228.db2.gz MQJBNGKQNVHGNG-UHFFFAOYSA-N 0 0 125.127 1.084 10 0 ADAERN COCCn1ccc(C2CC2)n1 307974634 572895233 /nfs/dbraw/zinc/89/52/33/572895233.db2.gz JTBZWGOHHIECFP-UHFFFAOYSA-N 0 0 166.224 1.407 10 0 ADAERN OC/C=C/C=C\Cc1ccco1 307974005 572895236 /nfs/dbraw/zinc/89/52/36/572895236.db2.gz CPCONFWFYSKNDS-HSFFGMMNSA-N 0 0 164.204 1.927 10 0 ADAERN CC(=O)N1C[C@H](C)Oc2ccoc21 75595894 572895245 /nfs/dbraw/zinc/89/52/45/572895245.db2.gz BIUCFJMLHQGVLI-LURJTMIESA-N 0 0 181.191 1.413 10 0 ADAERN c1occ2c1NCCS2 75596748 572895610 /nfs/dbraw/zinc/89/56/10/572895610.db2.gz RNYIKJUUEQZUNT-UHFFFAOYSA-N 0 0 141.195 1.797 10 0 ADAERN COCCc1ccc(C=O)cc1 118841078 572895613 /nfs/dbraw/zinc/89/56/13/572895613.db2.gz UNRAHHXUPWIPMD-UHFFFAOYSA-N 0 0 164.204 1.688 10 0 ADAERN C[C@H](O)CCC(=O)c1ccccc1O 75596179 572895619 /nfs/dbraw/zinc/89/56/19/572895619.db2.gz LNXSVUIDBFBBMX-QMMMGPOBSA-N 0 0 194.230 1.736 10 0 ADAERN COC(=O)c1c(C)cc(N)c(C)c1O 214792144 572897051 /nfs/dbraw/zinc/89/70/51/572897051.db2.gz JUDOAQGMDJKMAH-UHFFFAOYSA-N 0 0 195.218 1.378 10 0 ADAERN CC(C)(O)CCOc1ccc(O)cc1 86236737 572895633 /nfs/dbraw/zinc/89/56/33/572895633.db2.gz HCEDEYOHHNFLCD-UHFFFAOYSA-N 0 0 196.246 1.932 10 0 ADAERN CCSCC(=O)NCCC(C)C 307973637 572895650 /nfs/dbraw/zinc/89/56/50/572895650.db2.gz JABJIRMNMWVQHS-UHFFFAOYSA-N 0 0 189.324 1.902 10 0 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CCCS[C@H](F)C(=O)OCC 86242336 572899912 /nfs/dbraw/zinc/89/99/12/572899912.db2.gz CJXTXQQRLBZFFI-LURJTMIESA-N 0 0 180.244 1.988 10 0 ADAERN C[C@H](O)c1ncc(-c2ccccn2)o1 75853253 572899931 /nfs/dbraw/zinc/89/99/31/572899931.db2.gz QYOAAAVSDHYQEH-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN CNC(=O)c1cc(N(C)C)ccc1F 75852441 572899935 /nfs/dbraw/zinc/89/99/35/572899935.db2.gz LSEGFIYZMWKKSJ-UHFFFAOYSA-N 0 0 196.225 1.251 10 0 ADAERN C[C@@H](O)c1nncn1-c1ccccc1 75853076 572899944 /nfs/dbraw/zinc/89/99/44/572899944.db2.gz BZUDGYGOXSFDNU-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN CCOC(=O)[C@@H](F)OC1CCC1 86242052 572899948 /nfs/dbraw/zinc/89/99/48/572899948.db2.gz WDEICLQOLYWQLF-ZETCQYMHSA-N 0 0 176.187 1.414 10 0 ADAERN CCOC(=O)[C@H](F)OCCC(C)C 86241663 572899975 /nfs/dbraw/zinc/89/99/75/572899975.db2.gz AAXOOQLDTYHZGF-MRVPVSSYSA-N 0 0 192.230 1.908 10 0 ADAERN C[C@H](O)c1nc2ccc(O)cc2n1C 75853005 572899976 /nfs/dbraw/zinc/89/99/76/572899976.db2.gz PGSAIUQZPULHFA-LURJTMIESA-N 0 0 192.218 1.332 10 0 ADAERN CNC(=S)c1cccnc1F 75856606 572910707 /nfs/dbraw/zinc/91/07/07/572910707.db2.gz PBXZNKXMYKVDEV-UHFFFAOYSA-N 0 0 170.212 1.116 10 0 ADAERN CCOC(=O)[C@@H](F)OCCC(C)C 86241664 572899995 /nfs/dbraw/zinc/89/99/95/572899995.db2.gz AAXOOQLDTYHZGF-QMMMGPOBSA-N 0 0 192.230 1.908 10 0 ADAERN CCOC(=O)[C@@H](F)O[C@@H](C)CC 86241986 572900083 /nfs/dbraw/zinc/90/00/83/572900083.db2.gz NAYUPXNQXFBVGZ-BQBZGAKWSA-N 0 0 178.203 1.660 10 0 ADAERN CC(C)[C@H](O)c1ncc2cnccn12 75853680 572900089 /nfs/dbraw/zinc/90/00/89/572900089.db2.gz IKEQKVHFDCVOOF-VIFPVBQESA-N 0 0 191.234 1.419 10 0 ADAERN CC(=O)c1cc(F)cc(C(N)=S)c1 75851784 572900106 /nfs/dbraw/zinc/90/01/06/572900106.db2.gz SYYYTPRVLIJOMH-UHFFFAOYSA-N 0 0 197.234 1.663 10 0 ADAERN Cc1ccc(F)c2c1C(=O)N[C@H](C)C2 235395308 572900108 /nfs/dbraw/zinc/90/01/08/572900108.db2.gz WBLFMTNKXXFMES-SSDOTTSWSA-N 0 0 193.221 1.809 10 0 ADAERN C[C@H](O)c1cc(N(C)C)ccc1F 75852758 572900114 /nfs/dbraw/zinc/90/01/14/572900114.db2.gz ABLMLFQERPTKBX-ZETCQYMHSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@@H](O)c1c(F)ccc2cn(C)nc12 75853192 572900144 /nfs/dbraw/zinc/90/01/44/572900144.db2.gz CMEQRWLACZFHQQ-ZCFIWIBFSA-N 0 0 194.209 1.766 10 0 ADAERN CCOC(=O)[C@@H](F)c1ccncc1C 86243091 572900050 /nfs/dbraw/zinc/90/00/50/572900050.db2.gz POHUVBWSPMVQLO-VIFPVBQESA-N 0 0 197.209 1.964 10 0 ADAERN CCOC(=O)[C@H](F)c1ccc(C)nc1 86243000 572900064 /nfs/dbraw/zinc/90/00/64/572900064.db2.gz IDOLCUXBBGBCJG-SECBINFHSA-N 0 0 197.209 1.964 10 0 ADAERN Cc1nc(C(N)=S)sc1C 75851807 572900069 /nfs/dbraw/zinc/90/00/69/572900069.db2.gz NZHJQEGCGNRDTM-UHFFFAOYSA-N 0 0 172.278 1.394 10 0 ADAERN COc1ccc(CN(C)N)c(OC)c1 71507337 572900159 /nfs/dbraw/zinc/90/01/59/572900159.db2.gz BBWAXZGBTATWBY-UHFFFAOYSA-N 0 0 196.250 1.009 10 0 ADAERN CNC(=O)c1cc(OC)ccc1F 75852436 572900162 /nfs/dbraw/zinc/90/01/62/572900162.db2.gz HNAMNSOVXFUILD-UHFFFAOYSA-N 0 0 183.182 1.194 10 0 ADAERN CNC(=O)c1nc2cc(C)ccc2o1 75852701 572900165 /nfs/dbraw/zinc/90/01/65/572900165.db2.gz NVHZEYDZHKKQMG-UHFFFAOYSA-N 0 0 190.202 1.496 10 0 ADAERN C[C@@H](O)c1nc2ccccc2n1O 75852992 572900181 /nfs/dbraw/zinc/90/01/81/572900181.db2.gz JZMLWJDILXDXHY-ZCFIWIBFSA-N 0 0 178.191 1.327 10 0 ADAERN C[C@H]1CC[N@H+](C)C[C@@H](CC(=O)[O-])C1 257621581 572900185 /nfs/dbraw/zinc/90/01/85/572900185.db2.gz IKOFQYAJQCDHRG-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN Cc1nnc([C@@H](O)C(C)C)n1C1CC1 75853813 572900201 /nfs/dbraw/zinc/90/02/01/572900201.db2.gz GWKRFEMSCWPQHX-VIFPVBQESA-N 0 0 195.266 1.611 10 0 ADAERN CCC(CC)[C@@H](O)c1cnn(C)n1 308176712 572900202 /nfs/dbraw/zinc/90/02/02/572900202.db2.gz FQGNQZSTBRKAHT-SECBINFHSA-N 0 0 183.255 1.285 10 0 ADAERN NC(=S)c1ccc2c(c1)CCN2 75851766 572900203 /nfs/dbraw/zinc/90/02/03/572900203.db2.gz HNPJWSDMMPZIJU-UHFFFAOYSA-N 0 0 178.260 1.289 10 0 ADAERN C[C@H](O)c1nc2cc(N)ccc2s1 75852951 572900206 /nfs/dbraw/zinc/90/02/06/572900206.db2.gz IAYJARGNQXQADS-YFKPBYRVSA-N 0 0 194.259 1.932 10 0 ADAERN CCOCC(=O)OCC1(C)CC1 308176922 572900234 /nfs/dbraw/zinc/90/02/34/572900234.db2.gz ZNCYTDYSNILNFV-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN CCONC(=O)C[C@H](C)C(C)C 308173224 572900262 /nfs/dbraw/zinc/90/02/62/572900262.db2.gz XTPLHLJZTFGSQY-QMMMGPOBSA-N 0 0 173.256 1.736 10 0 ADAERN Cc1nc([C@H](O)C(C)C)n(C)c1C 75853668 572900264 /nfs/dbraw/zinc/90/02/64/572900264.db2.gz SQTHSUWCEQLLQD-SECBINFHSA-N 0 0 182.267 1.726 10 0 ADAERN C[C@@H](O)c1ccnn1C(C)(C)C 75853220 572900270 /nfs/dbraw/zinc/90/02/70/572900270.db2.gz VTMIIUWREWQJLD-SSDOTTSWSA-N 0 0 168.240 1.691 10 0 ADAERN C[C@@H](O)c1cccc(N(C)C)c1F 75852761 572900274 /nfs/dbraw/zinc/90/02/74/572900274.db2.gz QPDOQBJGSDKUTC-SSDOTTSWSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@H](O)c1ccnn1C(C)(C)C 75853219 572900276 /nfs/dbraw/zinc/90/02/76/572900276.db2.gz VTMIIUWREWQJLD-ZETCQYMHSA-N 0 0 168.240 1.691 10 0 ADAERN CC[C@@H]1OCCC(=O)[C@H]1C[C@H](C)O 257621678 572900277 /nfs/dbraw/zinc/90/02/77/572900277.db2.gz ROZYJYPQFAWYCL-XKSSXDPKSA-N 0 0 186.251 1.142 10 0 ADAERN CC(C)[C@@H](O)c1nc2ncccc2o1 75853569 572900294 /nfs/dbraw/zinc/90/02/94/572900294.db2.gz BPSILDIJUIIUNA-MRVPVSSYSA-N 0 0 192.218 1.912 10 0 ADAERN CCC[NH2+]Cc1[nH]ccc1C(=O)[O-] 308176680 572900300 /nfs/dbraw/zinc/90/03/00/572900300.db2.gz FNLZDWUMJVKDAG-UHFFFAOYSA-N 0 0 182.223 1.213 10 0 ADAERN C[C@@H]1CC[N@H+](C)CC[C@H]1CC(=O)[O-] 257621641 572900307 /nfs/dbraw/zinc/90/03/07/572900307.db2.gz ODLPITVNLGQHFU-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN CCc1nc(C(N)=S)sc1C 75851815 572900312 /nfs/dbraw/zinc/90/03/12/572900312.db2.gz GLVXMAOYKZJLHY-UHFFFAOYSA-N 0 0 186.305 1.648 10 0 ADAERN Cc1coc([C@H](C)O)n1 75853248 572900319 /nfs/dbraw/zinc/90/03/19/572900319.db2.gz YVBAEKLHNOYLPN-YFKPBYRVSA-N 0 0 127.143 1.036 10 0 ADAERN CC(=O)c1ccc(F)c(C(N)=S)c1 75851782 572900332 /nfs/dbraw/zinc/90/03/32/572900332.db2.gz WKHZBZMWOGTYGF-UHFFFAOYSA-N 0 0 197.234 1.663 10 0 ADAERN CCCN(C(=O)[C@@H]1CCO1)C1CC1 308173266 572900335 /nfs/dbraw/zinc/90/03/35/572900335.db2.gz CDZVICOLPBVVDH-VIFPVBQESA-N 0 0 183.251 1.176 10 0 ADAERN COc1ccc([C@H](O)C(C)C)c(N)c1 75853457 572900362 /nfs/dbraw/zinc/90/03/62/572900362.db2.gz GNCSQGOROWVIJB-LLVKDONJSA-N 0 0 195.262 1.967 10 0 ADAERN O=C(NC[C@H]1C[C@H]1C1CC1)C1CC1 308173279 572900366 /nfs/dbraw/zinc/90/03/66/572900366.db2.gz CEDKXMFEIJOHFP-ZJUUUORDSA-N 0 0 179.263 1.559 10 0 ADAERN CNC(=O)c1nc2ccc(C)cc2o1 75852702 572900384 /nfs/dbraw/zinc/90/03/84/572900384.db2.gz ORKNIQPYVVZDEP-UHFFFAOYSA-N 0 0 190.202 1.496 10 0 ADAERN C[C@@H](O)c1ccc(N(C)C)cc1F 75852795 572900391 /nfs/dbraw/zinc/90/03/91/572900391.db2.gz WKQSFYSWNVBVKQ-SSDOTTSWSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@@H](O)c1nnc(-c2ccccc2)o1 75853244 572900403 /nfs/dbraw/zinc/90/04/03/572900403.db2.gz YOCWAKYZPPDSBH-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN C=Cn1ccnc1[C@@H](C)O 75852966 572900405 /nfs/dbraw/zinc/90/04/05/572900405.db2.gz FLBAQJXMGZFFFF-ZCFIWIBFSA-N 0 0 138.170 1.037 10 0 ADAERN CNc1ccc([C@@H](C)O)cc1F 75853308 572900435 /nfs/dbraw/zinc/90/04/35/572900435.db2.gz XEDXUCQOLZUAME-ZCFIWIBFSA-N 0 0 169.199 1.921 10 0 ADAERN C[C@H]1CC[N@H+](C)CC[C@H]1CC(=O)[O-] 257621642 572900440 /nfs/dbraw/zinc/90/04/40/572900440.db2.gz ODLPITVNLGQHFU-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN COC(=O)c1nccn1C(C)(C)C 75852241 572900465 /nfs/dbraw/zinc/90/04/65/572900465.db2.gz WFMNXOBJIKKEQG-UHFFFAOYSA-N 0 0 182.223 1.425 10 0 ADAERN CC(C)[C@H](O)c1nc2ncccc2o1 75853568 572900477 /nfs/dbraw/zinc/90/04/77/572900477.db2.gz BPSILDIJUIIUNA-QMMMGPOBSA-N 0 0 192.218 1.912 10 0 ADAERN CNc1ccc([C@H](C)O)cc1F 75853307 572900487 /nfs/dbraw/zinc/90/04/87/572900487.db2.gz XEDXUCQOLZUAME-LURJTMIESA-N 0 0 169.199 1.921 10 0 ADAERN CC(C)[C@H](O)c1ccc(N)nc1 75853424 572900490 /nfs/dbraw/zinc/90/04/90/572900490.db2.gz IHXBBGRVEFWBSD-VIFPVBQESA-N 0 0 166.224 1.353 10 0 ADAERN CCCC[C@@H]1OCCC[C@H]1CO 86251911 572900512 /nfs/dbraw/zinc/90/05/12/572900512.db2.gz VMHQGFMDZHUSSY-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CC[C@@H]1C[C@@H]2C[C@@H](O)CC[C@@H]2CO1 257621715 572900522 /nfs/dbraw/zinc/90/05/22/572900522.db2.gz VVOMNAZLMHOVML-VPOLOUISSA-N 0 0 184.279 1.963 10 0 ADAERN CCCCC[C@@H]1OCC[C@@H]1CO 86251686 572900523 /nfs/dbraw/zinc/90/05/23/572900523.db2.gz DPROONOGCUMJMA-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1nc([C@@H](O)C(C)C)n(C)c1C 75853669 572900526 /nfs/dbraw/zinc/90/05/26/572900526.db2.gz SQTHSUWCEQLLQD-VIFPVBQESA-N 0 0 182.267 1.726 10 0 ADAERN C[C@H](O)c1ccnn1C1CC1 75853211 572900539 /nfs/dbraw/zinc/90/05/39/572900539.db2.gz AROPAQRURUFZNW-LURJTMIESA-N 0 0 152.197 1.271 10 0 ADAERN CC[C@@H]1C[C@H]2CC(=O)C[C@H]2CO1 257621655 572900550 /nfs/dbraw/zinc/90/05/50/572900550.db2.gz PEMFOEGODKQRLZ-KHQFGBGNSA-N 0 0 168.236 1.781 10 0 ADAERN CSc1nnc([C@@H](C)O)n1C1CC1 75853132 572900585 /nfs/dbraw/zinc/90/05/85/572900585.db2.gz ZCXPCJSJZXCSTG-RXMQYKEDSA-N 0 0 199.279 1.388 10 0 ADAERN COC(=O)c1nc(C)c(C)o1 75852403 572900593 /nfs/dbraw/zinc/90/05/93/572900593.db2.gz OOHXVXBRFGMDJS-UHFFFAOYSA-N 0 0 155.153 1.078 10 0 ADAERN COc1ccc2oc([C@H](C)O)nc2c1 75853267 572900599 /nfs/dbraw/zinc/90/05/99/572900599.db2.gz RHKJDVPHCKHCDM-LURJTMIESA-N 0 0 193.202 1.890 10 0 ADAERN CCN(C[C@H](C)OC)C(=O)N(C)C 308173676 572901690 /nfs/dbraw/zinc/90/16/90/572901690.db2.gz CLLJOIJDCUMXEX-QMMMGPOBSA-N 0 0 188.271 1.025 10 0 ADAERN COc1cc(N)ccc1[C@H](O)C(C)C 75853455 572900625 /nfs/dbraw/zinc/90/06/25/572900625.db2.gz HNYZZVRIKNVRHV-LLVKDONJSA-N 0 0 195.262 1.967 10 0 ADAERN C[C@@H](O)c1ncc2c(Cl)nccn12 75852976 572900629 /nfs/dbraw/zinc/90/06/29/572900629.db2.gz FRGWYTNMTSYUFT-RXMQYKEDSA-N 0 0 197.625 1.436 10 0 ADAERN Cc1n[nH]cc1[C@@H](O)C(C)C 75853415 572900655 /nfs/dbraw/zinc/90/06/55/572900655.db2.gz RMPJPTPNDUOYML-QMMMGPOBSA-N 0 0 154.213 1.408 10 0 ADAERN C[C@H](O)c1cnc(C(C)(C)C)nc1 75852893 572900680 /nfs/dbraw/zinc/90/06/80/572900680.db2.gz GIRQYDMFVMCBHL-ZETCQYMHSA-N 0 0 180.251 1.827 10 0 ADAERN COc1cc(N)ccc1[C@@H](C)O 75852809 572900694 /nfs/dbraw/zinc/90/06/94/572900694.db2.gz LYDWKTXZQSQOIF-ZCFIWIBFSA-N 0 0 167.208 1.331 10 0 ADAERN CC(C)[C@@H](O)c1nnc2ccccn12 75853783 572900698 /nfs/dbraw/zinc/90/06/98/572900698.db2.gz WPFYERQTJVEFJW-SECBINFHSA-N 0 0 191.234 1.419 10 0 ADAERN COC[C@H](C)c1nc(C(C)=O)c[nH]1 308172993 572900703 /nfs/dbraw/zinc/90/07/03/572900703.db2.gz DGHODKLGADLSIP-LURJTMIESA-N 0 0 182.223 1.362 10 0 ADAERN Cc1n[nH]cc1[C@H](O)C(C)C 75853414 572900717 /nfs/dbraw/zinc/90/07/17/572900717.db2.gz RMPJPTPNDUOYML-MRVPVSSYSA-N 0 0 154.213 1.408 10 0 ADAERN CCOC(=O)c1nc([C@@H](C)O)oc1C 75853279 572900762 /nfs/dbraw/zinc/90/07/62/572900762.db2.gz BBZJNBQBCXLLKH-RXMQYKEDSA-N 0 0 199.206 1.213 10 0 ADAERN CCOc1ccc([C@@H](O)CO)cc1C 71507318 572900770 /nfs/dbraw/zinc/90/07/70/572900770.db2.gz YMRYDMHHOCBMAX-JTQLQIEISA-N 0 0 196.246 1.419 10 0 ADAERN C[C@@H](O)c1nccn1-c1ccccn1 75852998 572900775 /nfs/dbraw/zinc/90/07/75/572900775.db2.gz WUAOINIGBZNBSL-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN CCCC[C@H]1OCCC[C@@H]1CO 86251912 572900777 /nfs/dbraw/zinc/90/07/77/572900777.db2.gz VMHQGFMDZHUSSY-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CNC(=O)c1nc(C(C)(C)C)cs1 75852527 572900792 /nfs/dbraw/zinc/90/07/92/572900792.db2.gz UCOKZVDRGOCVKS-UHFFFAOYSA-N 0 0 198.291 1.800 10 0 ADAERN CC(C)(C)c1ncc(C(N)=S)cn1 75851802 572900795 /nfs/dbraw/zinc/90/07/95/572900795.db2.gz FTYOLADTVPUOMF-UHFFFAOYSA-N 0 0 195.291 1.408 10 0 ADAERN COc1cnc(NCCCF)nc1 308176705 572900798 /nfs/dbraw/zinc/90/07/98/572900798.db2.gz FQCXDKSKXUDYSN-UHFFFAOYSA-N 0 0 185.202 1.257 10 0 ADAERN CC[C@@H]1OCC[C@@H]2CC(=O)C[C@H]12 257621682 572900801 /nfs/dbraw/zinc/90/08/01/572900801.db2.gz SATOWIPPQKZBPI-JEZHCXPESA-N 0 0 168.236 1.781 10 0 ADAERN Cc1nc([C@@H](C)O)oc1C 75853249 572900802 /nfs/dbraw/zinc/90/08/02/572900802.db2.gz AWOCWTSZHJVHSR-RXMQYKEDSA-N 0 0 141.170 1.345 10 0 ADAERN C[C@H](O)C/C=C\C[C@@H](C)O 199302906 572900811 /nfs/dbraw/zinc/90/08/11/572900811.db2.gz IYOUHCSBZSEBSR-BFWUXPAWSA-N 0 0 144.214 1.084 10 0 ADAERN C[C@@H](O)c1ccnn1C1CC1 75853212 572900814 /nfs/dbraw/zinc/90/08/14/572900814.db2.gz AROPAQRURUFZNW-ZCFIWIBFSA-N 0 0 152.197 1.271 10 0 ADAERN CSc1nnc([C@H](C)O)n1C1CC1 75853131 572900824 /nfs/dbraw/zinc/90/08/24/572900824.db2.gz ZCXPCJSJZXCSTG-YFKPBYRVSA-N 0 0 199.279 1.388 10 0 ADAERN Cc1nc([C@@H](C)O)n2ccccc12 75852989 572900828 /nfs/dbraw/zinc/90/08/28/572900828.db2.gz NIWCQQNKZABERA-MRVPVSSYSA-N 0 0 176.219 1.696 10 0 ADAERN COC(=O)c1ccc(F)c([C@@H](C)O)c1 75853326 572900837 /nfs/dbraw/zinc/90/08/37/572900837.db2.gz ZPACMKGCVXPXJE-ZCFIWIBFSA-N 0 0 198.193 1.666 10 0 ADAERN CC[C@@H]1OCC[C@@H]2C[C@H](O)CC[C@@H]12 257621724 572900839 /nfs/dbraw/zinc/90/08/39/572900839.db2.gz XHRHOPPGNYGENB-DBIOUOCHSA-N 0 0 184.279 1.963 10 0 ADAERN CCCN(C(=O)[C@H]1CCO1)C1CC1 308173265 572900842 /nfs/dbraw/zinc/90/08/42/572900842.db2.gz CDZVICOLPBVVDH-SECBINFHSA-N 0 0 183.251 1.176 10 0 ADAERN CCCN(C)C(=O)[C@H]1OCC[C@@H]1C 308173314 572900846 /nfs/dbraw/zinc/90/08/46/572900846.db2.gz CFTIJJOMKHKETD-IUCAKERBSA-N 0 0 185.267 1.280 10 0 ADAERN CCc1ccc(OC)c([C@H](O)CO)c1 71507315 572900850 /nfs/dbraw/zinc/90/08/50/572900850.db2.gz ZENGZEKISSOOCC-SNVBAGLBSA-N 0 0 196.246 1.283 10 0 ADAERN CC(C)[C@@H](O)c1ncc2n1CCCC2 75853677 572900854 /nfs/dbraw/zinc/90/08/54/572900854.db2.gz SDGXPVJEFWJSOB-SNVBAGLBSA-N 0 0 194.278 1.909 10 0 ADAERN C[C@@H](O)c1ncc(-c2ccccn2)o1 75853254 572900857 /nfs/dbraw/zinc/90/08/57/572900857.db2.gz QYOAAAVSDHYQEH-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN C[C@H](O)c1nccn1-c1ccccn1 75852997 572900859 /nfs/dbraw/zinc/90/08/59/572900859.db2.gz WUAOINIGBZNBSL-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN CC[C@@H]1C[C@@H]2C[C@@H](O)CC[C@H]2CO1 257621716 572900864 /nfs/dbraw/zinc/90/08/64/572900864.db2.gz VVOMNAZLMHOVML-XWLWVQCSSA-N 0 0 184.279 1.963 10 0 ADAERN OCCCCC[C@@H](O)c1ccco1 205008732 572900865 /nfs/dbraw/zinc/90/08/65/572900865.db2.gz FXGDHPNGQUQYNS-SECBINFHSA-N 0 0 184.235 1.866 10 0 ADAERN Cc1nc([C@H](C)O)oc1C 75853250 572900879 /nfs/dbraw/zinc/90/08/79/572900879.db2.gz AWOCWTSZHJVHSR-YFKPBYRVSA-N 0 0 141.170 1.345 10 0 ADAERN O=C(CO)CCc1ccccc1Cl 71507761 572900890 /nfs/dbraw/zinc/90/08/90/572900890.db2.gz FCDYFOMRRMTJDG-UHFFFAOYSA-N 0 0 198.649 1.834 10 0 ADAERN C[C@@H](O)c1c2ccccc2nn1C 75853194 572900893 /nfs/dbraw/zinc/90/08/93/572900893.db2.gz VDBSVTSMGZWQEO-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN CC(C)[C@H](C)C[C@@H]([NH3+])CCC(=O)[O-] 308177321 572900894 /nfs/dbraw/zinc/90/08/94/572900894.db2.gz QIKANYCWVGBCNN-BDAKNGLRSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@H](O)c1ncc(-c2cccnc2)o1 75853255 572900896 /nfs/dbraw/zinc/90/08/96/572900896.db2.gz AHJZINOPQXSQHC-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN C[C@H](O)c1ncc2ccccn12 75852967 572900933 /nfs/dbraw/zinc/90/09/33/572900933.db2.gz FLYNUAUTAIYXCO-ZETCQYMHSA-N 0 0 162.192 1.388 10 0 ADAERN CC(C)[C@@H](O)c1ncc2cnccn12 75853681 572900969 /nfs/dbraw/zinc/90/09/69/572900969.db2.gz IKEQKVHFDCVOOF-SECBINFHSA-N 0 0 191.234 1.419 10 0 ADAERN CC[C@@H]1OCCC(=O)[C@@H]1C[C@H](C)O 257621677 572900978 /nfs/dbraw/zinc/90/09/78/572900978.db2.gz ROZYJYPQFAWYCL-NRPADANISA-N 0 0 186.251 1.142 10 0 ADAERN CCC(=O)c1ccnn1CCOC 308176773 572900986 /nfs/dbraw/zinc/90/09/86/572900986.db2.gz FSJCCARCUPSHSN-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN COC[C@@H](C)c1nc(C(C)=O)c[nH]1 308172994 572901011 /nfs/dbraw/zinc/90/10/11/572901011.db2.gz DGHODKLGADLSIP-ZCFIWIBFSA-N 0 0 182.223 1.362 10 0 ADAERN C[C@H](O)c1c2ccccc2nn1C 75853193 572901015 /nfs/dbraw/zinc/90/10/15/572901015.db2.gz VDBSVTSMGZWQEO-ZETCQYMHSA-N 0 0 176.219 1.627 10 0 ADAERN CCOC(=O)c1cncc([C@H](C)O)c1 75852862 572901021 /nfs/dbraw/zinc/90/10/21/572901021.db2.gz RBQUOHTVSSUJEC-ZETCQYMHSA-N 0 0 195.218 1.312 10 0 ADAERN C[C@H](O)c1ncc(-c2ccncc2)o1 75853257 572901023 /nfs/dbraw/zinc/90/10/23/572901023.db2.gz STJIWDKVVHHOTC-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN CC[C@@H]1OCC[C@@H]2C[C@@H](O)CC[C@H]12 257621725 572901034 /nfs/dbraw/zinc/90/10/34/572901034.db2.gz XHRHOPPGNYGENB-RCWTZXSCSA-N 0 0 184.279 1.963 10 0 ADAERN Nc1ncccc1NCCCCF 308176742 572901037 /nfs/dbraw/zinc/90/10/37/572901037.db2.gz BDGUPOOYVWILCF-UHFFFAOYSA-N 0 0 183.230 1.825 10 0 ADAERN CCCC[C@@H]1OCCC[C@@H]1CO 86251913 572901041 /nfs/dbraw/zinc/90/10/41/572901041.db2.gz VMHQGFMDZHUSSY-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)[C@H](O)c1nccn1C1CC1 75853562 572901055 /nfs/dbraw/zinc/90/10/55/572901055.db2.gz HSFOWSIRIMWSPT-VIFPVBQESA-N 0 0 180.251 1.907 10 0 ADAERN CCOC(=O)c1cncc([C@@H](C)O)c1 75852861 572901082 /nfs/dbraw/zinc/90/10/82/572901082.db2.gz RBQUOHTVSSUJEC-SSDOTTSWSA-N 0 0 195.218 1.312 10 0 ADAERN CNC(=O)c1c(F)cccc1N(C)C 75852443 572901089 /nfs/dbraw/zinc/90/10/89/572901089.db2.gz NCNHYKULLYEKLO-UHFFFAOYSA-N 0 0 196.225 1.251 10 0 ADAERN C=Cn1ccnc1[C@H](O)C(C)C 75853671 572901092 /nfs/dbraw/zinc/90/10/92/572901092.db2.gz CBASAMSYLSIWPF-MRVPVSSYSA-N 0 0 166.224 1.673 10 0 ADAERN CC[C@H](O)C/C=C\COC(=O)OC 308172762 572901103 /nfs/dbraw/zinc/90/11/03/572901103.db2.gz WZYMSJFHFLKHST-LGYSABEFSA-N 0 0 188.223 1.487 10 0 ADAERN NC(=S)c1nc2ccc(N)cc2o1 75851998 572901105 /nfs/dbraw/zinc/90/11/05/572901105.db2.gz DHDTWUZGNGWSGE-UHFFFAOYSA-N 0 0 193.231 1.044 10 0 ADAERN C[C@H](O)c1nnc(-c2ccccc2)o1 75853243 572901114 /nfs/dbraw/zinc/90/11/14/572901114.db2.gz YOCWAKYZPPDSBH-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN CCC(CC)OC(=O)[C@H]1CCOC1 308173305 572901118 /nfs/dbraw/zinc/90/11/18/572901118.db2.gz CFISKCWXEUEJBK-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@@H]1OCC[C@@H]2C[C@@H](O)CC[C@@H]12 257621726 572901120 /nfs/dbraw/zinc/90/11/20/572901120.db2.gz XHRHOPPGNYGENB-YTWAJWBKSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H](O)c1ncc2n1CCCC2 75852970 572901130 /nfs/dbraw/zinc/90/11/30/572901130.db2.gz KFFYBXFAXNGHAE-SSDOTTSWSA-N 0 0 166.224 1.273 10 0 ADAERN C[C@H](O)c1nncn1-c1ccccc1 75853075 572901140 /nfs/dbraw/zinc/90/11/40/572901140.db2.gz BZUDGYGOXSFDNU-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN OCCCCC[C@H](O)c1ccco1 205008746 572901150 /nfs/dbraw/zinc/90/11/50/572901150.db2.gz FXGDHPNGQUQYNS-VIFPVBQESA-N 0 0 184.235 1.866 10 0 ADAERN C[C@H](O)c1ccc(N(C)C)cc1F 75852794 572901171 /nfs/dbraw/zinc/90/11/71/572901171.db2.gz WKQSFYSWNVBVKQ-ZETCQYMHSA-N 0 0 183.226 1.945 10 0 ADAERN CC[C@@H]1CC(=O)[C@H](C[C@H](C)O)CO1 257621660 572901180 /nfs/dbraw/zinc/90/11/80/572901180.db2.gz QARQZCDWIVFLCY-DJLDLDEBSA-N 0 0 186.251 1.142 10 0 ADAERN C[C@H](O)c1nc2ccccc2n1O 75852991 572901186 /nfs/dbraw/zinc/90/11/86/572901186.db2.gz JZMLWJDILXDXHY-LURJTMIESA-N 0 0 178.191 1.327 10 0 ADAERN COc1cc(N)ccc1[C@@H](O)C(C)C 75853454 572901195 /nfs/dbraw/zinc/90/11/95/572901195.db2.gz HNYZZVRIKNVRHV-NSHDSACASA-N 0 0 195.262 1.967 10 0 ADAERN C[C@@H](O)c1ncc2ccccn12 75852968 572901208 /nfs/dbraw/zinc/90/12/08/572901208.db2.gz FLYNUAUTAIYXCO-SSDOTTSWSA-N 0 0 162.192 1.388 10 0 ADAERN CC[C@@H]1C[C@@H]2C[C@H](O)CC[C@H]2CO1 257621714 572901209 /nfs/dbraw/zinc/90/12/09/572901209.db2.gz VVOMNAZLMHOVML-UKKRHICBSA-N 0 0 184.279 1.963 10 0 ADAERN CC(C)[C@@H](O)c1ccnn1C1CC1 75853861 572902277 /nfs/dbraw/zinc/90/22/77/572902277.db2.gz KSSIEQHKOHZDQY-SNVBAGLBSA-N 0 0 180.251 1.907 10 0 ADAERN COc1cc(N)ccc1[C@H](C)O 75852808 572901235 /nfs/dbraw/zinc/90/12/35/572901235.db2.gz LYDWKTXZQSQOIF-LURJTMIESA-N 0 0 167.208 1.331 10 0 ADAERN NC(=S)c1ccc2c(c1)CCCN2 75851770 572901240 /nfs/dbraw/zinc/90/12/40/572901240.db2.gz CCUVIRUIKWGWKK-UHFFFAOYSA-N 0 0 192.287 1.679 10 0 ADAERN CCc1cc([C@H](O)CO)ccc1OC 71507313 572901250 /nfs/dbraw/zinc/90/12/50/572901250.db2.gz SQOKHRBNFLAYLC-SNVBAGLBSA-N 0 0 196.246 1.283 10 0 ADAERN C[C@H](O)c1nccn1C(C)(C)C 75852885 572901257 /nfs/dbraw/zinc/90/12/57/572901257.db2.gz JKYCETPHEPRXBF-ZETCQYMHSA-N 0 0 168.240 1.691 10 0 ADAERN C[C@H](O)c1ncc2c(Cl)nccn12 75852975 572901276 /nfs/dbraw/zinc/90/12/76/572901276.db2.gz FRGWYTNMTSYUFT-YFKPBYRVSA-N 0 0 197.625 1.436 10 0 ADAERN C[C@@H](O)c1ncc(-c2ccncc2)o1 75853258 572901299 /nfs/dbraw/zinc/90/12/99/572901299.db2.gz STJIWDKVVHHOTC-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN CC(C)C(=O)CNC(=O)C(C)(C)F 308181477 572902280 /nfs/dbraw/zinc/90/22/80/572902280.db2.gz CNGJELQLEKNQBZ-UHFFFAOYSA-N 0 0 189.230 1.076 10 0 ADAERN CNC(=O)c1nc(C)c2ccccn12 75852576 572901321 /nfs/dbraw/zinc/90/13/21/572901321.db2.gz GBUHANOYAPFQJO-UHFFFAOYSA-N 0 0 189.218 1.002 10 0 ADAERN CC(C)[C@@H](C)C[C@@H]([NH3+])CCC(=O)[O-] 308177594 572902282 /nfs/dbraw/zinc/90/22/82/572902282.db2.gz QIKANYCWVGBCNN-IUCAKERBSA-N 0 0 187.283 1.861 10 0 ADAERN CCC[C@H](C)[C@@H]1OCC[C@H]1CO 86251420 572901329 /nfs/dbraw/zinc/90/13/29/572901329.db2.gz UHQRZJGKCGBMQU-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H](O)c1nccn1C(C)(C)C 75852886 572901339 /nfs/dbraw/zinc/90/13/39/572901339.db2.gz JKYCETPHEPRXBF-SSDOTTSWSA-N 0 0 168.240 1.691 10 0 ADAERN COC(=O)c1ccc(F)c([C@H](C)O)c1 75853325 572901343 /nfs/dbraw/zinc/90/13/43/572901343.db2.gz ZPACMKGCVXPXJE-LURJTMIESA-N 0 0 198.193 1.666 10 0 ADAERN C[C@@H](O)c1nc2ccc(O)cc2n1C 75853006 572901378 /nfs/dbraw/zinc/90/13/78/572901378.db2.gz PGSAIUQZPULHFA-ZCFIWIBFSA-N 0 0 192.218 1.332 10 0 ADAERN OCCC[C@@H](CO)C1CCCCC1 308174024 572901437 /nfs/dbraw/zinc/90/14/37/572901437.db2.gz YOPUAAGCUHGQDL-NSHDSACASA-N 0 0 186.295 1.948 10 0 ADAERN COc1ccc(C)cc1[C@@H](O)CCO 71507304 572901464 /nfs/dbraw/zinc/90/14/64/572901464.db2.gz XJFYUSCEHOWVAD-JTQLQIEISA-N 0 0 196.246 1.419 10 0 ADAERN C[C@@H](O)c1cc(N(C)C)ccc1F 75852759 572901468 /nfs/dbraw/zinc/90/14/68/572901468.db2.gz ABLMLFQERPTKBX-SSDOTTSWSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@H](O)c1nc2cc(O)ccc2n1C 75853001 572901498 /nfs/dbraw/zinc/90/14/98/572901498.db2.gz LGUUQDUYXURXPR-LURJTMIESA-N 0 0 192.218 1.332 10 0 ADAERN CC[C@H](F)CN1CCO[C@H](CC)C1 308173591 572901657 /nfs/dbraw/zinc/90/16/57/572901657.db2.gz CHSADNXTTBTHME-VHSXEESVSA-N 0 0 189.274 1.845 10 0 ADAERN C[C@H](O)c1c(F)ccc2cn(C)nc12 75853191 572901506 /nfs/dbraw/zinc/90/15/06/572901506.db2.gz CMEQRWLACZFHQQ-LURJTMIESA-N 0 0 194.209 1.766 10 0 ADAERN COC(=O)/C=C(\C(C)C)N1CCCC1 308177645 572902284 /nfs/dbraw/zinc/90/22/84/572902284.db2.gz QMBBCWRQJSEFFI-CSKARUKUSA-N 0 0 197.278 1.795 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C 86270197 572901535 /nfs/dbraw/zinc/90/15/35/572901535.db2.gz ACGXKSKDSGDGAJ-WPRPVWTQSA-N 0 0 199.294 1.970 10 0 ADAERN CNC(=O)c1cccc(N(C)C)c1F 75852442 572901543 /nfs/dbraw/zinc/90/15/43/572901543.db2.gz NMODDAIAHYFCDC-UHFFFAOYSA-N 0 0 196.225 1.251 10 0 ADAERN CCC(CC)[C@H]1OCC[C@@H]1CO 86251186 572901589 /nfs/dbraw/zinc/90/15/89/572901589.db2.gz OUQWDARWRPPFRT-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN CCC[C@@H]1C=CC[C@H](CO)[C@H]1CO 308178008 572901596 /nfs/dbraw/zinc/90/15/96/572901596.db2.gz BOTGXRAZVDKTDC-MXWKQRLJSA-N 0 0 184.279 1.580 10 0 ADAERN CC(C)[C@H](C)C[C@H]([NH3+])CCC(=O)[O-] 308177598 572901612 /nfs/dbraw/zinc/90/16/12/572901612.db2.gz QIKANYCWVGBCNN-RKDXNWHRSA-N 0 0 187.283 1.861 10 0 ADAERN CCC(CC)[C@@H]1OCC[C@H]1CO 86251184 572901626 /nfs/dbraw/zinc/90/16/26/572901626.db2.gz OUQWDARWRPPFRT-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN CCCCC[C@H]1OCC[C@H]1CO 86251680 572901627 /nfs/dbraw/zinc/90/16/27/572901627.db2.gz DPROONOGCUMJMA-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCC(CC)[C@@H]1OCC[C@@H]1CO 86251188 572901664 /nfs/dbraw/zinc/90/16/64/572901664.db2.gz OUQWDARWRPPFRT-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN CCOC(=O)[C@H](CC)NCCCF 308173953 572901681 /nfs/dbraw/zinc/90/16/81/572901681.db2.gz DQJBRQDEYVUBTI-QMMMGPOBSA-N 0 0 191.246 1.277 10 0 ADAERN CCOC(=O)[C@@H](CC)NCCCF 308173950 572901704 /nfs/dbraw/zinc/90/17/04/572901704.db2.gz DQJBRQDEYVUBTI-MRVPVSSYSA-N 0 0 191.246 1.277 10 0 ADAERN O[C@H](c1cnsc1)C1CSC1 404791530 572901705 /nfs/dbraw/zinc/90/17/05/572901705.db2.gz LHPDZSXUZBRRIJ-SSDOTTSWSA-N 0 0 187.289 1.540 10 0 ADAERN CCC(CC)[C@H]1OCC[C@H]1CO 86251183 572901710 /nfs/dbraw/zinc/90/17/10/572901710.db2.gz OUQWDARWRPPFRT-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN CCCC[C@](O)(CCC)[C@H](O)CO 308177706 572901779 /nfs/dbraw/zinc/90/17/79/572901779.db2.gz BLKMMGLIGALMKF-NXEZZACHSA-N 0 0 190.283 1.061 10 0 ADAERN CC[C@@H](F)CN1CCO[C@H](CC)C1 308173589 572901736 /nfs/dbraw/zinc/90/17/36/572901736.db2.gz CHSADNXTTBTHME-NXEZZACHSA-N 0 0 189.274 1.845 10 0 ADAERN CCOCCONC1CCCC1 308177590 572901755 /nfs/dbraw/zinc/90/17/55/572901755.db2.gz ZZLPDZXPWWVUKP-UHFFFAOYSA-N 0 0 173.256 1.487 10 0 ADAERN COC(=O)/C=C(/C(C)C)N1CCCC1 308177650 572901771 /nfs/dbraw/zinc/90/17/71/572901771.db2.gz QMBBCWRQJSEFFI-NTMALXAHSA-N 0 0 197.278 1.795 10 0 ADAERN CCC[C@H](NN)c1cn(CC)cn1 308173889 572901774 /nfs/dbraw/zinc/90/17/74/572901774.db2.gz DOXMBBVEISZKMT-QMMMGPOBSA-N 0 0 182.271 1.208 10 0 ADAERN CCCC[C@](O)(CCC)[C@@H](O)CO 308177716 572901803 /nfs/dbraw/zinc/90/18/03/572901803.db2.gz BLKMMGLIGALMKF-VHSXEESVSA-N 0 0 190.283 1.061 10 0 ADAERN CC(C)CSCc1ccnc(N)n1 308177474 572901891 /nfs/dbraw/zinc/90/18/91/572901891.db2.gz AZGGRVXGDDAVOK-UHFFFAOYSA-N 0 0 197.307 1.948 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C 86270198 572901896 /nfs/dbraw/zinc/90/18/96/572901896.db2.gz ACGXKSKDSGDGAJ-WCBMZHEXSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)C(=O)c1nnc2ccccn12 75854680 572901925 /nfs/dbraw/zinc/90/19/25/572901925.db2.gz MKNXIIZEMAUNTM-UHFFFAOYSA-N 0 0 189.218 1.568 10 0 ADAERN Cc1cc(C)c2nnc(C(C)C)n2n1 75839158 572901960 /nfs/dbraw/zinc/90/19/60/572901960.db2.gz WBWUAZQCQMLULO-UHFFFAOYSA-N 0 0 190.250 1.865 10 0 ADAERN CCCCC[C@@H]1OCC[C@H]1CO 86251681 572901964 /nfs/dbraw/zinc/90/19/64/572901964.db2.gz DPROONOGCUMJMA-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CCC[C@@H](NN)c1cn(CC)cn1 308173885 572901996 /nfs/dbraw/zinc/90/19/96/572901996.db2.gz DOXMBBVEISZKMT-MRVPVSSYSA-N 0 0 182.271 1.208 10 0 ADAERN c1ccc(-c2ccnn3cnnc23)nc1 75838484 572902021 /nfs/dbraw/zinc/90/20/21/572902021.db2.gz JQZOIEPDUIYEFX-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN c1cc(-c2ccnn3cnnc23)ccn1 75838492 572902029 /nfs/dbraw/zinc/90/20/29/572902029.db2.gz NEOWUAMBOCRTAI-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN COCC1(O)CC(C(C)C)C1 234620416 572902042 /nfs/dbraw/zinc/90/20/42/572902042.db2.gz JDTWVOABXKEBTL-UHFFFAOYSA-N 0 0 158.241 1.430 10 0 ADAERN Cc1nc(C(=O)C(C)C)n(C)c1C 75854617 572902102 /nfs/dbraw/zinc/90/21/02/572902102.db2.gz GJEKTSHAJAUWIO-UHFFFAOYSA-N 0 0 180.251 1.876 10 0 ADAERN CC/C=C\C(=O)NCCC[C@@H](C)O 308173605 572902187 /nfs/dbraw/zinc/90/21/87/572902187.db2.gz CIIGNHJFUKAPGG-WQAKUFEDSA-N 0 0 185.267 1.230 10 0 ADAERN c1cncc(-c2ccnn3cnnc23)c1 75838482 572902258 /nfs/dbraw/zinc/90/22/58/572902258.db2.gz SQCLTXGSOVLREB-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN CCC(CC)C(=O)c1cn(C)nn1 308173553 572902261 /nfs/dbraw/zinc/90/22/61/572902261.db2.gz DMVXUGQMAAMQNY-UHFFFAOYSA-N 0 0 181.239 1.434 10 0 ADAERN CCC[C@@H]1C=CC[C@@H](CO)[C@H]1CO 308178014 572902540 /nfs/dbraw/zinc/90/25/40/572902540.db2.gz BOTGXRAZVDKTDC-VWYCJHECSA-N 0 0 184.279 1.580 10 0 ADAERN CC[C@H]1CN(C[C@H](F)CC)CCO1 308173592 572902435 /nfs/dbraw/zinc/90/24/35/572902435.db2.gz CHSADNXTTBTHME-ZJUUUORDSA-N 0 0 189.274 1.845 10 0 ADAERN CC/C=C\C(=O)NCCC[C@H](C)O 308173606 572902442 /nfs/dbraw/zinc/90/24/42/572902442.db2.gz CIIGNHJFUKAPGG-WYDVEAGSSA-N 0 0 185.267 1.230 10 0 ADAERN c1coc(-c2ccnn3cnnc23)c1 75838479 572902448 /nfs/dbraw/zinc/90/24/48/572902448.db2.gz ORDCZHQASRHWCG-UHFFFAOYSA-N 0 0 186.174 1.384 10 0 ADAERN CC/C=C/C(=O)NCCC[C@@H](C)O 308173603 572902449 /nfs/dbraw/zinc/90/24/49/572902449.db2.gz CIIGNHJFUKAPGG-ILFKPUCNSA-N 0 0 185.267 1.230 10 0 ADAERN COC(=O)CC[C@@H]1C[C@H](O)C1(C)C 214268143 572902526 /nfs/dbraw/zinc/90/25/26/572902526.db2.gz FEYSXQBSZQGQME-SFYZADRCSA-N 0 0 186.251 1.347 10 0 ADAERN CCC/C=C\[C@@H](O)[C@@H](C)O 199311144 572902538 /nfs/dbraw/zinc/90/25/38/572902538.db2.gz FICYJUWBJVOPSK-MFOJLJMTSA-N 0 0 144.214 1.084 10 0 ADAERN c1ccc(-c2ccnn3cnnc23)cc1 75838477 572902567 /nfs/dbraw/zinc/90/25/67/572902567.db2.gz KTYMKDGTSBDQCG-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CCCOC(=O)NC[C@@H](C)OCC 308181377 572902588 /nfs/dbraw/zinc/90/25/88/572902588.db2.gz HIUJSBKQKCAMSV-MRVPVSSYSA-N 0 0 189.255 1.548 10 0 ADAERN CC(C)c1nnc2sccn12 75839195 572902619 /nfs/dbraw/zinc/90/26/19/572902619.db2.gz TXUSDXXRPDNCDL-UHFFFAOYSA-N 0 0 167.237 1.914 10 0 ADAERN O=C(C=C(O)C1CCC1)C(F)F 379114780 572902644 /nfs/dbraw/zinc/90/26/44/572902644.db2.gz XDISSBMLOPWFMF-UHFFFAOYSA-N 0 0 176.162 1.580 10 0 ADAERN C=C/C=C\[C@H](O)CCC1OCCO1 308173459 572902693 /nfs/dbraw/zinc/90/26/93/572902693.db2.gz YFVLFQQQZOGGNK-TYRPZCRBSA-N 0 0 184.235 1.243 10 0 ADAERN O=C(CCCO)CCC/C=C\CO 308173382 572902699 /nfs/dbraw/zinc/90/26/99/572902699.db2.gz XPPSAJKNZOCQHZ-RQOWECAXSA-N 0 0 186.251 1.047 10 0 ADAERN CC[C@@H](C)OCn1cc(C[NH3+])cn1 308177988 572902710 /nfs/dbraw/zinc/90/27/10/572902710.db2.gz BOOVOGMYFAXNKZ-MRVPVSSYSA-N 0 0 183.255 1.114 10 0 ADAERN Cc1nc([C@H](O)C(C)C)oc1C 75853886 572902726 /nfs/dbraw/zinc/90/27/26/572902726.db2.gz KIDRGPOYMAUAIR-MRVPVSSYSA-N 0 0 169.224 1.981 10 0 ADAERN CC/C=C/C(=O)NCCC[C@H](C)O 308173604 572902771 /nfs/dbraw/zinc/90/27/71/572902771.db2.gz CIIGNHJFUKAPGG-IYNCYZAOSA-N 0 0 185.267 1.230 10 0 ADAERN CCC[C@@H]1C=CC[C@@H](CO)[C@@H]1CO 308178011 572902780 /nfs/dbraw/zinc/90/27/80/572902780.db2.gz BOTGXRAZVDKTDC-OUAUKWLOSA-N 0 0 184.279 1.580 10 0 ADAERN C[C@H](c1nncn1C)C(F)(F)F 75840090 572902790 /nfs/dbraw/zinc/90/27/90/572902790.db2.gz VXZZKZHNBIQPAT-SCSAIBSYSA-N 0 0 179.145 1.481 10 0 ADAERN Cc1nnc2sccn12 75838713 572902806 /nfs/dbraw/zinc/90/28/06/572902806.db2.gz RPHYTLXQFMCJOY-UHFFFAOYSA-N 0 0 139.183 1.099 10 0 ADAERN CC(C)C(=O)CN(C)Cc1ccoc1 86276577 572902820 /nfs/dbraw/zinc/90/28/20/572902820.db2.gz CRBDPZAJCNMTPE-UHFFFAOYSA-N 0 0 195.262 1.937 10 0 ADAERN CC[C@@H]1COCCN1CC(=O)C(C)C 86276357 572902830 /nfs/dbraw/zinc/90/28/30/572902830.db2.gz DIXUTJVIAOYIKZ-SNVBAGLBSA-N 0 0 199.294 1.322 10 0 ADAERN CC(C)[C@@H](C)C[C@H]([NH3+])CCC(=O)[O-] 308177592 572902861 /nfs/dbraw/zinc/90/28/61/572902861.db2.gz QIKANYCWVGBCNN-DTWKUNHWSA-N 0 0 187.283 1.861 10 0 ADAERN CC(C)c1cnc(N(C)C)nc1 75838987 572902884 /nfs/dbraw/zinc/90/28/84/572902884.db2.gz PGASRCVBLUVQLN-UHFFFAOYSA-N 0 0 165.240 1.666 10 0 ADAERN COCCN(CC(=O)C(C)C)C1CC1 86276409 572902937 /nfs/dbraw/zinc/90/29/37/572902937.db2.gz OVYVYALMZQMKLI-UHFFFAOYSA-N 0 0 199.294 1.322 10 0 ADAERN CCCC[C@@](O)(CCC)[C@@H](O)CO 308177711 572902980 /nfs/dbraw/zinc/90/29/80/572902980.db2.gz BLKMMGLIGALMKF-UWVGGRQHSA-N 0 0 190.283 1.061 10 0 ADAERN Cc1n[nH]cc1C(=O)C(C)(C)C 75854808 572903008 /nfs/dbraw/zinc/90/30/08/572903008.db2.gz MCYMFHWZBRGLAF-UHFFFAOYSA-N 0 0 166.224 1.947 10 0 ADAERN CC[C@H]1COCCN1CC(=O)C(C)C 86276358 572903010 /nfs/dbraw/zinc/90/30/10/572903010.db2.gz DIXUTJVIAOYIKZ-JTQLQIEISA-N 0 0 199.294 1.322 10 0 ADAERN CC(=O)c1ccn(CCCF)n1 308177541 572903027 /nfs/dbraw/zinc/90/30/27/572903027.db2.gz ZWFMSCWLRVNIKJ-UHFFFAOYSA-N 0 0 170.187 1.445 10 0 ADAERN Cc1ccc2nnc(C(C)C)n2n1 75839168 572903049 /nfs/dbraw/zinc/90/30/49/572903049.db2.gz HVYGTKIINLHUET-UHFFFAOYSA-N 0 0 176.223 1.556 10 0 ADAERN CCC[C@@H]1C=CC[C@H](CO)[C@@H]1CO 308178003 572903053 /nfs/dbraw/zinc/90/30/53/572903053.db2.gz BOTGXRAZVDKTDC-GMTAPVOTSA-N 0 0 184.279 1.580 10 0 ADAERN CC(C)[C@H](O)c1ncco1 75853882 572903060 /nfs/dbraw/zinc/90/30/60/572903060.db2.gz SJDIJSCBVWPTED-LURJTMIESA-N 0 0 141.170 1.364 10 0 ADAERN Cc1ccnn2c(C(C)C)nnc12 75839166 572903062 /nfs/dbraw/zinc/90/30/62/572903062.db2.gz BELUDZPYUZOCRZ-UHFFFAOYSA-N 0 0 176.223 1.556 10 0 ADAERN CCONCc1nnc(CC)s1 308177570 572903118 /nfs/dbraw/zinc/90/31/18/572903118.db2.gz ZXVUVOOBXZZYTF-UHFFFAOYSA-N 0 0 187.268 1.142 10 0 ADAERN CCCOC(=O)NC[C@H](C)OCC 308181378 572903199 /nfs/dbraw/zinc/90/31/99/572903199.db2.gz HIUJSBKQKCAMSV-QMMMGPOBSA-N 0 0 189.255 1.548 10 0 ADAERN CO[C@H](C(=O)OC1CC1)C1CC1 308173860 572903174 /nfs/dbraw/zinc/90/31/74/572903174.db2.gz YDKUTTMLYMQQRF-QMMMGPOBSA-N 0 0 170.208 1.117 10 0 ADAERN c1cc(-c2ccc3nncn3n2)ccn1 75838510 572903247 /nfs/dbraw/zinc/90/32/47/572903247.db2.gz JZLXSXRRMUKULU-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN CC[C@H](C)OCn1cc(C[NH3+])cn1 308177992 572903276 /nfs/dbraw/zinc/90/32/76/572903276.db2.gz BOOVOGMYFAXNKZ-QMMMGPOBSA-N 0 0 183.255 1.114 10 0 ADAERN C=C/C=C\[C@@H](O)CCC1OCCO1 308173460 572903314 /nfs/dbraw/zinc/90/33/14/572903314.db2.gz YFVLFQQQZOGGNK-ZBJFTSOASA-N 0 0 184.235 1.243 10 0 ADAERN O=C(/C=C/C1CC1)NCCCF 308173374 572903323 /nfs/dbraw/zinc/90/33/23/572903323.db2.gz XXBIFIKKTOSPFD-SNAWJCMRSA-N 0 0 171.215 1.428 10 0 ADAERN Cc1nnc(C(=O)C(C)C)n1C1CC1 75854696 572903329 /nfs/dbraw/zinc/90/33/29/572903329.db2.gz PRQVDPZFNKONGL-UHFFFAOYSA-N 0 0 193.250 1.760 10 0 ADAERN COCCCC[C@H](CC(C)C)NN 308179687 572903590 /nfs/dbraw/zinc/90/35/90/572903590.db2.gz BWMTYLLCRKYPGN-SNVBAGLBSA-N 0 0 188.315 1.681 10 0 ADAERN CC(C)c1nnc2cccnn12 75839162 572903359 /nfs/dbraw/zinc/90/33/59/572903359.db2.gz DDQCLIUBCPGXTF-UHFFFAOYSA-N 0 0 162.196 1.248 10 0 ADAERN CN(C)c1ccccc1-n1ccnc1 75838450 572903366 /nfs/dbraw/zinc/90/33/66/572903366.db2.gz YIDBMAGFCDITGQ-UHFFFAOYSA-N 0 0 187.246 1.938 10 0 ADAERN C[C@H]1Cc2cc(F)c(N)c(F)c2N1 713773786 572903400 /nfs/dbraw/zinc/90/34/00/572903400.db2.gz JYTYQPMQPCHXPJ-BYPYZUCNSA-N 0 0 184.189 1.904 10 0 ADAERN Cc1nnc(C)n1C1CC1 75838700 572903426 /nfs/dbraw/zinc/90/34/26/572903426.db2.gz MIFKIDQIPUQKCW-UHFFFAOYSA-N 0 0 137.186 1.230 10 0 ADAERN Cc1coc(C(=O)C(C)C)n1 75854733 572903438 /nfs/dbraw/zinc/90/34/38/572903438.db2.gz VSYDKIBPDJSXPV-UHFFFAOYSA-N 0 0 153.181 1.822 10 0 ADAERN CCn1ncnc1C(=O)CCSC 308179468 572903452 /nfs/dbraw/zinc/90/34/52/572903452.db2.gz CAUZGAHPASMUAD-UHFFFAOYSA-N 0 0 199.279 1.234 10 0 ADAERN CC/C=C\CCOC(=O)[C@H](O)CC 308178401 572903479 /nfs/dbraw/zinc/90/34/79/572903479.db2.gz GEEOLFJGKJELHS-SSJHQANKSA-N 0 0 186.251 1.657 10 0 ADAERN CC(C)(C)C(=O)c1ccc(N)nc1 75854810 572903525 /nfs/dbraw/zinc/90/35/25/572903525.db2.gz GATLNRGDSLUADC-UHFFFAOYSA-N 0 0 178.235 1.893 10 0 ADAERN CC(C)[C@@H](O)c1nnc2sccn12 75853831 572903578 /nfs/dbraw/zinc/90/35/78/572903578.db2.gz MCESUKJSEHSFSB-ZCFIWIBFSA-N 0 0 197.263 1.480 10 0 ADAERN CC(C)C(=O)CN(C)C[C@H]1CCCO1 86276389 572903927 /nfs/dbraw/zinc/90/39/27/572903927.db2.gz FMXBHUIYFZWYMV-SNVBAGLBSA-N 0 0 199.294 1.322 10 0 ADAERN COCCCC[C@@H](CC(C)C)NN 308179682 572903945 /nfs/dbraw/zinc/90/39/45/572903945.db2.gz BWMTYLLCRKYPGN-JTQLQIEISA-N 0 0 188.315 1.681 10 0 ADAERN CO[C@]12CCC=CCC[C@@H]1[C@H]2CO 308179471 572903972 /nfs/dbraw/zinc/90/39/72/572903972.db2.gz CBGSTUQXLAMIOH-GMTAPVOTSA-N 0 0 182.263 1.740 10 0 ADAERN OC1(c2nccn2C2CC2)CCCC1 75846697 572905096 /nfs/dbraw/zinc/90/50/96/572905096.db2.gz XJIJADHDMWHFOG-UHFFFAOYSA-N 0 0 192.262 1.980 10 0 ADAERN CC(C)[C@H](O)c1nnc2sccn12 75853830 572904026 /nfs/dbraw/zinc/90/40/26/572904026.db2.gz MCESUKJSEHSFSB-LURJTMIESA-N 0 0 197.263 1.480 10 0 ADAERN CC(C)c1nnc2n(C)ccn12 75839194 572904054 /nfs/dbraw/zinc/90/40/54/572904054.db2.gz SIWZELDEOUMHBI-UHFFFAOYSA-N 0 0 164.212 1.191 10 0 ADAERN C/C=C\CN(C)Cc1ccnn1C 308179819 572904057 /nfs/dbraw/zinc/90/40/57/572904057.db2.gz GUFHCDUZWLUNHB-PLNGDYQASA-N 0 0 179.267 1.428 10 0 ADAERN CCOCCC(=O)C=C(O)C1CCC1 379037421 572904072 /nfs/dbraw/zinc/90/40/72/572904072.db2.gz DHFJBHRZAUBZGN-UHFFFAOYSA-N 0 0 198.262 1.741 10 0 ADAERN COC(=O)[C@H](C)OC1CCC1 50518946 572905098 /nfs/dbraw/zinc/90/50/98/572905098.db2.gz YFVGRQPEKAMBPQ-LURJTMIESA-N 0 0 158.197 1.117 10 0 ADAERN CC(C)C(=O)CN(C)C[C@@H]1CCCO1 86276388 572904153 /nfs/dbraw/zinc/90/41/53/572904153.db2.gz FMXBHUIYFZWYMV-JTQLQIEISA-N 0 0 199.294 1.322 10 0 ADAERN CCC[C@@](O)(CC)c1ncnn1C 308179654 572904213 /nfs/dbraw/zinc/90/42/13/572904213.db2.gz BVYWPGMKZRVAGD-VIFPVBQESA-N 0 0 183.255 1.213 10 0 ADAERN C/C=C\COC(=O)c1oncc1C 308179300 572904215 /nfs/dbraw/zinc/90/42/15/572904215.db2.gz GOBFILJQDCPHPU-ARJAWSKDSA-N 0 0 181.191 1.716 10 0 ADAERN CCC[C@@H](CCO)N1CCCC1=O 308181512 572904220 /nfs/dbraw/zinc/90/42/20/572904220.db2.gz CNXXZUSXLMKEKT-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN CCONCc1nc(C(C)C)no1 308179994 572904295 /nfs/dbraw/zinc/90/42/95/572904295.db2.gz FTOFOSUNMHHGOV-UHFFFAOYSA-N 0 0 185.227 1.234 10 0 ADAERN CC(C)C(=O)CN(C)Cc1ccco1 86276504 572904299 /nfs/dbraw/zinc/90/42/99/572904299.db2.gz KUTRBCVWZNQXKB-UHFFFAOYSA-N 0 0 195.262 1.937 10 0 ADAERN O=C(/C=C\C1CC1)NC1CC=CC1 308178644 572904335 /nfs/dbraw/zinc/90/43/35/572904335.db2.gz FCEDBZAEZJOOFR-FPLPWBNLSA-N 0 0 177.247 1.787 10 0 ADAERN CCOC(=O)CC[C@H](C)[C@H](C)CO 308179667 572905107 /nfs/dbraw/zinc/90/51/07/572905107.db2.gz BWISLNBCMKRNEZ-DTWKUNHWSA-N 0 0 188.267 1.594 10 0 ADAERN Cc1cccc(C[C@@H](O)CCO)c1 308178267 572904369 /nfs/dbraw/zinc/90/43/69/572904369.db2.gz BLUBLYHBYDQCFX-NSHDSACASA-N 0 0 180.247 1.281 10 0 ADAERN C[C@@H](N)c1nc2cc(N)ccc2o1 75845377 572904384 /nfs/dbraw/zinc/90/43/84/572904384.db2.gz OSNDGRJVUNSWFJ-RXMQYKEDSA-N 0 0 177.207 1.430 10 0 ADAERN CCC[C@](O)(CC)c1ncnn1C 308179653 572904386 /nfs/dbraw/zinc/90/43/86/572904386.db2.gz BVYWPGMKZRVAGD-SECBINFHSA-N 0 0 183.255 1.213 10 0 ADAERN Cc1n[nH]c(C)c1C1(O)CCCC1 75846621 572904394 /nfs/dbraw/zinc/90/43/94/572904394.db2.gz IFAULXYNQXDEST-UHFFFAOYSA-N 0 0 180.251 1.788 10 0 ADAERN COC(=O)[C@@H](C)OC1CCC1 50518947 572904486 /nfs/dbraw/zinc/90/44/86/572904486.db2.gz YFVGRQPEKAMBPQ-ZCFIWIBFSA-N 0 0 158.197 1.117 10 0 ADAERN C/C=C\C(=O)OC[C@@H]1CCC[C@H]1O 308178185 572904507 /nfs/dbraw/zinc/90/45/07/572904507.db2.gz BHWQBWLPTKXMAJ-IVSKAITFSA-N 0 0 184.235 1.267 10 0 ADAERN CCn1ccnc1N(C)CC(C)(C)O 86274290 572904516 /nfs/dbraw/zinc/90/45/16/572904516.db2.gz ZQOVGAJFGYSMTN-UHFFFAOYSA-N 0 0 197.282 1.110 10 0 ADAERN CCN(CC(C)(C)O)c1nccn1C 86274318 572905115 /nfs/dbraw/zinc/90/51/15/572905115.db2.gz AQEMEBQXBWELSH-UHFFFAOYSA-N 0 0 197.282 1.017 10 0 ADAERN CC[C@H]1CN(CC(=O)C(C)C)CCO1 86276342 572904540 /nfs/dbraw/zinc/90/45/40/572904540.db2.gz BINSJVYDMBIGQG-JTQLQIEISA-N 0 0 199.294 1.322 10 0 ADAERN Cc1coc([C@](C)(O)C(F)(F)F)n1 75846501 572905120 /nfs/dbraw/zinc/90/51/20/572905120.db2.gz XUWNVOHEVVPGFP-LURJTMIESA-N 0 0 195.140 1.753 10 0 ADAERN CC(C)(C)C(=O)OCC[C@@H]1C[C@@H]1O 308179409 572904581 /nfs/dbraw/zinc/90/45/81/572904581.db2.gz BZIRLFQIHDTNSO-SFYZADRCSA-N 0 0 186.251 1.347 10 0 ADAERN CN(C)C(=O)c1cc(CO)ccc1F 75844792 572904589 /nfs/dbraw/zinc/90/45/89/572904589.db2.gz LHMLPRAQVOJNOO-UHFFFAOYSA-N 0 0 197.209 1.020 10 0 ADAERN C[C@H](O)C[C@@H]1[C@@H](C[C@@H](C)O)C1(C)C 308178668 572904591 /nfs/dbraw/zinc/90/45/91/572904591.db2.gz BRWAOCYQYCAYIV-UTINFBMNSA-N 0 0 186.295 1.800 10 0 ADAERN Cc1cccc(C[C@H](O)CCO)c1 308178266 572904624 /nfs/dbraw/zinc/90/46/24/572904624.db2.gz BLUBLYHBYDQCFX-LLVKDONJSA-N 0 0 180.247 1.281 10 0 ADAERN CC/C=C/CCOC(=O)[C@@H](O)CC 308178400 572904634 /nfs/dbraw/zinc/90/46/34/572904634.db2.gz GEEOLFJGKJELHS-CYNONHLPSA-N 0 0 186.251 1.657 10 0 ADAERN Cc1n[nH]cc1C1(O)CCCC1 75846612 572904635 /nfs/dbraw/zinc/90/46/35/572904635.db2.gz KMPQEMNFXGEFNE-UHFFFAOYSA-N 0 0 166.224 1.480 10 0 ADAERN C=Cn1ccnc1C(C)(C)O 75845999 572904644 /nfs/dbraw/zinc/90/46/44/572904644.db2.gz SGRJQNIWXWXFLI-UHFFFAOYSA-N 0 0 152.197 1.211 10 0 ADAERN Cc1nc(C(C)(C)O)oc1C 75846134 572904673 /nfs/dbraw/zinc/90/46/73/572904673.db2.gz WLYKPXWPYAGNES-UHFFFAOYSA-N 0 0 155.197 1.519 10 0 ADAERN CCCCC[C@@]1(O)C[C@H](O)CCO1 308178237 572904684 /nfs/dbraw/zinc/90/46/84/572904684.db2.gz BJOPBLUHMLXLFU-ZJUUUORDSA-N 0 0 188.267 1.427 10 0 ADAERN Cc1coc(C2(O)CCCC2)n1 75846952 572904703 /nfs/dbraw/zinc/90/47/03/572904703.db2.gz SADASNYRYLFNBP-UHFFFAOYSA-N 0 0 167.208 1.745 10 0 ADAERN CCOC(=O)c1nc(C(C)=O)oc1C 75844543 572904714 /nfs/dbraw/zinc/90/47/14/572904714.db2.gz HTQWCBQCPWTGKC-UHFFFAOYSA-N 0 0 197.190 1.362 10 0 ADAERN CC(=O)c1cc(Cl)cc(C(N)=O)c1 75847355 572904738 /nfs/dbraw/zinc/90/47/38/572904738.db2.gz PHMUINRUCODUAG-UHFFFAOYSA-N 0 0 197.621 1.642 10 0 ADAERN CCOC(=O)c1nc([C@@H](C)N)oc1C 75845383 572904746 /nfs/dbraw/zinc/90/47/46/572904746.db2.gz XXEZJNKGDVAOQG-RXMQYKEDSA-N 0 0 198.222 1.179 10 0 ADAERN CCc1nc(C(N)=O)sc1C 75847380 572904757 /nfs/dbraw/zinc/90/47/57/572904757.db2.gz NZVOJLDIBWBSBQ-UHFFFAOYSA-N 0 0 170.237 1.113 10 0 ADAERN CC/C=C\CCOC(=O)[C@@H](O)CC 308178402 572904761 /nfs/dbraw/zinc/90/47/61/572904761.db2.gz GEEOLFJGKJELHS-UDIARPCQSA-N 0 0 186.251 1.657 10 0 ADAERN N=C(N)c1nc2c(O)cccc2s1 75847772 572904770 /nfs/dbraw/zinc/90/47/70/572904770.db2.gz HMVQCQCCUDNRRY-UHFFFAOYSA-N 0 0 193.231 1.286 10 0 ADAERN CC[C@@H]1CN(CC(=O)C(C)C)CCO1 86276341 572904776 /nfs/dbraw/zinc/90/47/76/572904776.db2.gz BINSJVYDMBIGQG-SNVBAGLBSA-N 0 0 199.294 1.322 10 0 ADAERN CO[C@]12CCC=CCC[C@@H]1[C@@H]2CO 308179473 572904787 /nfs/dbraw/zinc/90/47/87/572904787.db2.gz CBGSTUQXLAMIOH-OUAUKWLOSA-N 0 0 182.263 1.740 10 0 ADAERN OCc1ncc(-c2ccncc2)o1 75844767 572904791 /nfs/dbraw/zinc/90/47/91/572904791.db2.gz HIXRIJOXSFRXHT-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN COc1cccc(C(=N)NO)c1F 75848030 572905137 /nfs/dbraw/zinc/90/51/37/572905137.db2.gz FDPZECZIQQYRSD-UHFFFAOYSA-N 0 0 184.170 1.138 10 0 ADAERN C/C=C\C(=O)N1CC[C@H](CSC)C1 308179382 572904885 /nfs/dbraw/zinc/90/48/85/572904885.db2.gz FLFOQQRDVIDNDE-TYRPZCRBSA-N 0 0 199.319 1.774 10 0 ADAERN CCc1nc(C(C)=O)cn1CCF 308178405 572904886 /nfs/dbraw/zinc/90/48/86/572904886.db2.gz GEGDUANFHDNERJ-UHFFFAOYSA-N 0 0 184.214 1.618 10 0 ADAERN OC1(c2ccncc2)CCCC1 75846611 572904887 /nfs/dbraw/zinc/90/48/87/572904887.db2.gz BPWZOMMCZZYEOO-UHFFFAOYSA-N 0 0 163.220 1.843 10 0 ADAERN CN(C)c1cccc(C(=N)NO)c1F 75848036 572905143 /nfs/dbraw/zinc/90/51/43/572905143.db2.gz OVVVWHURCARNSU-UHFFFAOYSA-N 0 0 197.213 1.196 10 0 ADAERN OC1(c2ccnn2C2CC2)CCCC1 75846925 572904895 /nfs/dbraw/zinc/90/48/95/572904895.db2.gz JSPBTABMSMGGBN-UHFFFAOYSA-N 0 0 192.262 1.980 10 0 ADAERN C/C=C\C(=O)N1CC[C@@H](CSC)C1 308179386 572904903 /nfs/dbraw/zinc/90/49/03/572904903.db2.gz FLFOQQRDVIDNDE-ZBJFTSOASA-N 0 0 199.319 1.774 10 0 ADAERN C/C=C/C(=O)N1CC[C@@H](CSC)C1 308179373 572904906 /nfs/dbraw/zinc/90/49/06/572904906.db2.gz FLFOQQRDVIDNDE-CDAZIORVSA-N 0 0 199.319 1.774 10 0 ADAERN OCc1ncc(-c2cccc(F)c2)o1 75844788 572904914 /nfs/dbraw/zinc/90/49/14/572904914.db2.gz QBUXDPRMCIHXGF-UHFFFAOYSA-N 0 0 193.177 1.973 10 0 ADAERN CC(C)(C)C(=O)OCC[C@@H]1C[C@H]1O 308179406 572904934 /nfs/dbraw/zinc/90/49/34/572904934.db2.gz BZIRLFQIHDTNSO-HTQZYQBOSA-N 0 0 186.251 1.347 10 0 ADAERN N=C(N)c1nc2cc(N)ccc2s1 75847754 572904947 /nfs/dbraw/zinc/90/49/47/572904947.db2.gz GNKHCRMSGIKGPD-UHFFFAOYSA-N 0 0 192.247 1.163 10 0 ADAERN CS/C=C\C(=O)N1CCC[C@H]1C 308178629 572904965 /nfs/dbraw/zinc/90/49/65/572904965.db2.gz FAKLTPUZTDDZHQ-GRKOMRHMSA-N 0 0 185.292 1.874 10 0 ADAERN CC(C)OC(=O)N(C)CC(C)(C)O 86273975 572905014 /nfs/dbraw/zinc/90/50/14/572905014.db2.gz SDCVPMRNCWWAAU-UHFFFAOYSA-N 0 0 189.255 1.234 10 0 ADAERN Cc1n[nH]cc1[C@](C)(O)C(F)(F)F 75846227 572905023 /nfs/dbraw/zinc/90/50/23/572905023.db2.gz AKTPPMWDHZOWHT-LURJTMIESA-N 0 0 194.156 1.488 10 0 ADAERN CC(=O)Nc1ccc(CO)cc1F 75844791 572905543 /nfs/dbraw/zinc/90/55/43/572905543.db2.gz FRDLRFYHKDHBKR-UHFFFAOYSA-N 0 0 183.182 1.276 10 0 ADAERN C[C@](O)(c1ncc[nH]1)C(F)(F)F 75846408 572905051 /nfs/dbraw/zinc/90/50/51/572905051.db2.gz RGCXDKSDWUPBCO-YFKPBYRVSA-N 0 0 180.129 1.180 10 0 ADAERN CSc1nnc(C=O)n1C1CC1 75844266 572905083 /nfs/dbraw/zinc/90/50/83/572905083.db2.gz BLHZZSUVXVVGBD-UHFFFAOYSA-N 0 0 183.236 1.147 10 0 ADAERN NC(=O)c1nc2cc(O)ccc2s1 75847395 572905765 /nfs/dbraw/zinc/90/57/65/572905765.db2.gz WLGSNRBNNMHMPQ-UHFFFAOYSA-N 0 0 194.215 1.101 10 0 ADAERN NC(=S)CCOC1CCC1 50520540 572905153 /nfs/dbraw/zinc/90/51/53/572905153.db2.gz HCMYKLTUVYYPQZ-UHFFFAOYSA-N 0 0 159.254 1.232 10 0 ADAERN CC(C)(C)n1ccnc1CO 75844610 572905168 /nfs/dbraw/zinc/90/51/68/572905168.db2.gz DSTHLCVDJZLDRP-UHFFFAOYSA-N 0 0 154.213 1.130 10 0 ADAERN C[C@H](O)C[C@@H]1[C@@H](C[C@H](C)O)C1(C)C 308178662 572905213 /nfs/dbraw/zinc/90/52/13/572905213.db2.gz BRWAOCYQYCAYIV-AXTSPUMRSA-N 0 0 186.295 1.800 10 0 ADAERN N=C(N)c1nc2cc(O)ccc2s1 75847738 572905226 /nfs/dbraw/zinc/90/52/26/572905226.db2.gz BCCNPQNCUMRJNM-UHFFFAOYSA-N 0 0 193.231 1.286 10 0 ADAERN CC(=O)c1ccc(F)c(C(=N)NO)c1 75848092 572905352 /nfs/dbraw/zinc/90/53/52/572905352.db2.gz KOEHMKVZKUIYBS-UHFFFAOYSA-N 0 0 196.181 1.332 10 0 ADAERN COC[C@@H](O)[C@H](F)c1ccccc1 308183143 572906996 /nfs/dbraw/zinc/90/69/96/572906996.db2.gz DQTPTLAFABWIKR-NXEZZACHSA-N 0 0 184.210 1.705 10 0 ADAERN Cc1ccc(N)cc1C(C)(C)O 75845881 572905288 /nfs/dbraw/zinc/90/52/88/572905288.db2.gz VTYAHTWTROPYAQ-UHFFFAOYSA-N 0 0 165.236 1.805 10 0 ADAERN C/C=C/COC(=O)c1oncc1C 308179301 572905301 /nfs/dbraw/zinc/90/53/01/572905301.db2.gz GOBFILJQDCPHPU-ONEGZZNKSA-N 0 0 181.191 1.716 10 0 ADAERN CCOC(=O)N(CC)CC(C)(C)O 86273991 572905313 /nfs/dbraw/zinc/90/53/13/572905313.db2.gz UCJXBBILKZNGSK-UHFFFAOYSA-N 0 0 189.255 1.236 10 0 ADAERN CC(C)(C)C(=O)OCC[C@H]1C[C@H]1O 308179408 572905357 /nfs/dbraw/zinc/90/53/57/572905357.db2.gz BZIRLFQIHDTNSO-JGVFFNPUSA-N 0 0 186.251 1.347 10 0 ADAERN Cn1cc(C(=O)CCC2CC2)nn1 308178410 572905360 /nfs/dbraw/zinc/90/53/60/572905360.db2.gz GEKLDFVBSVWIPL-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1CCC[NH3+] 75845845 572905363 /nfs/dbraw/zinc/90/53/63/572905363.db2.gz JOBHEQIRTPHREX-UHFFFAOYSA-N 0 0 193.246 1.585 10 0 ADAERN CC(=O)N1CCc2cc(CO)ccc21 75844590 572905368 /nfs/dbraw/zinc/90/53/68/572905368.db2.gz KLDATOBEWJGHMC-UHFFFAOYSA-N 0 0 191.230 1.088 10 0 ADAERN CCOC(=O)CC[C@@H](C)[C@H](C)CO 308179673 572905403 /nfs/dbraw/zinc/90/54/03/572905403.db2.gz BWISLNBCMKRNEZ-RKDXNWHRSA-N 0 0 188.267 1.594 10 0 ADAERN CC(C)C(=O)CSc1ccncn1 86277378 572907084 /nfs/dbraw/zinc/90/70/84/572907084.db2.gz UUFFXFQYTHGJJW-UHFFFAOYSA-N 0 0 196.275 1.794 10 0 ADAERN Cn1ncc(-c2ccccc2)c1CO 75844762 572905425 /nfs/dbraw/zinc/90/54/25/572905425.db2.gz UJLDRSWRBMFDCW-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN CS/C=C\C(=O)N1CCC[C@@H]1C 308178630 572905441 /nfs/dbraw/zinc/90/54/41/572905441.db2.gz FAKLTPUZTDDZHQ-TVSKSKRASA-N 0 0 185.292 1.874 10 0 ADAERN O=Cc1nnc2ccc3ccccc3n12 75844295 572905467 /nfs/dbraw/zinc/90/54/67/572905467.db2.gz CWPUVQKKSPZSTB-UHFFFAOYSA-N 0 0 197.197 1.695 10 0 ADAERN NC(=O)c1nc2cc(F)ccc2s1 75847378 572905495 /nfs/dbraw/zinc/90/54/95/572905495.db2.gz YCHJTIDBQNFFEP-UHFFFAOYSA-N 0 0 196.206 1.534 10 0 ADAERN CN(CC(C)(C)O)c1ccc(C=O)o1 86274005 572905554 /nfs/dbraw/zinc/90/55/54/572905554.db2.gz BVSUAMYRRPGECC-UHFFFAOYSA-N 0 0 197.234 1.299 10 0 ADAERN CC(C)CCC(=O)c1cn(C)nn1 308179688 572905569 /nfs/dbraw/zinc/90/55/69/572905569.db2.gz GPXLPWNPTIAHHI-UHFFFAOYSA-N 0 0 181.239 1.434 10 0 ADAERN CN(C)c1cc(F)c(N)cc1F 75843654 572905570 /nfs/dbraw/zinc/90/55/70/572905570.db2.gz YXNDBTDQZGURTC-UHFFFAOYSA-N 0 0 172.178 1.613 10 0 ADAERN Cc1nn(C)c(C)c1C1(O)CCCC1 75846626 572905574 /nfs/dbraw/zinc/90/55/74/572905574.db2.gz ODOLTYHYKHOLTP-UHFFFAOYSA-N 0 0 194.278 1.799 10 0 ADAERN OCc1cc(-c2cc[nH]n2)ccc1F 75844602 572905602 /nfs/dbraw/zinc/90/56/02/572905602.db2.gz WGYFNCFOBNFCCX-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN CC(F)(F)C(=O)C=C(O)C1CCC1 379038075 572905640 /nfs/dbraw/zinc/90/56/40/572905640.db2.gz HXAQCEOAOHIPEO-UHFFFAOYSA-N 0 0 190.189 1.970 10 0 ADAERN Cc1coc([C@@](C)(O)C(F)(F)F)n1 75846502 572905694 /nfs/dbraw/zinc/90/56/94/572905694.db2.gz XUWNVOHEVVPGFP-ZCFIWIBFSA-N 0 0 195.140 1.753 10 0 ADAERN CCN(CC(C)(C)O)c1ccncn1 86274349 572905703 /nfs/dbraw/zinc/90/57/03/572905703.db2.gz FMBKEJPIPMDHER-UHFFFAOYSA-N 0 0 195.266 1.074 10 0 ADAERN C/C=C/CN(C)Cc1ccnn1C 308179821 572905706 /nfs/dbraw/zinc/90/57/06/572905706.db2.gz GUFHCDUZWLUNHB-SNAWJCMRSA-N 0 0 179.267 1.428 10 0 ADAERN CCOC(=O)c1nc([C@H](C)N)oc1C 75845384 572905707 /nfs/dbraw/zinc/90/57/07/572905707.db2.gz XXEZJNKGDVAOQG-YFKPBYRVSA-N 0 0 198.222 1.179 10 0 ADAERN CC(C)CCNc1nccc(=O)[nH]1 57330936 572905749 /nfs/dbraw/zinc/90/57/49/572905749.db2.gz JXDGOPQXJBDJCG-UHFFFAOYSA-N 0 0 181.239 1.228 10 0 ADAERN C[C@@](O)(c1ncco1)C(F)(F)F 75846499 572906622 /nfs/dbraw/zinc/90/66/22/572906622.db2.gz DRMRJAYJZNOPAV-RXMQYKEDSA-N 0 0 181.113 1.444 10 0 ADAERN CCOCCCCOC(=O)C1CC1 308178585 572905771 /nfs/dbraw/zinc/90/57/71/572905771.db2.gz DXRZGRHOBBDFJL-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN COc1cc(N)ccc1C(C)(C)O 75845890 572905776 /nfs/dbraw/zinc/90/57/76/572905776.db2.gz VSOIVUZSFLDRJD-UHFFFAOYSA-N 0 0 181.235 1.505 10 0 ADAERN C[C@@H](N)c1ncc(-c2ccccn2)o1 75845371 572905799 /nfs/dbraw/zinc/90/57/99/572905799.db2.gz KTJUOQJMTWHQNN-SSDOTTSWSA-N 0 0 189.218 1.756 10 0 ADAERN O=C(/C=C\c1cc[nH]c1)N1CCC1 308180063 572905822 /nfs/dbraw/zinc/90/58/22/572905822.db2.gz FWEZZNATUIITMG-IHWYPQMZSA-N 0 0 176.219 1.260 10 0 ADAERN C[C@@H](N)c1nc2ccc(N)cc2o1 75845376 572905829 /nfs/dbraw/zinc/90/58/29/572905829.db2.gz WIXVVIZVNVLBQL-RXMQYKEDSA-N 0 0 177.207 1.430 10 0 ADAERN CC(C)(O)c1ccc(N)c(F)c1 75845884 572905838 /nfs/dbraw/zinc/90/58/38/572905838.db2.gz CVJLIVXYYCBSCF-UHFFFAOYSA-N 0 0 169.199 1.635 10 0 ADAERN Cn1cc2ccc(F)c(CO)c2n1 75844744 572905839 /nfs/dbraw/zinc/90/58/39/572905839.db2.gz USMYXNQBORHPEF-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN C=Cn1ccnc1C1(O)CCCC1 75846777 572905849 /nfs/dbraw/zinc/90/58/49/572905849.db2.gz WJDZOEQPJUXVKP-UHFFFAOYSA-N 0 0 178.235 1.745 10 0 ADAERN CC(C)(O)c1ccc2c(c1)CCN2 75845888 572905851 /nfs/dbraw/zinc/90/58/51/572905851.db2.gz ZROATXCMGJQGAG-UHFFFAOYSA-N 0 0 177.247 1.882 10 0 ADAERN CCc1nc(C(=N)N)sc1C 75847720 572905859 /nfs/dbraw/zinc/90/58/59/572905859.db2.gz DQARMKBEQFHTOD-UHFFFAOYSA-N 0 0 169.253 1.298 10 0 ADAERN CC(C)CCNc1nc(=NN)cc[nH]1 57331689 572905863 /nfs/dbraw/zinc/90/58/63/572905863.db2.gz QGQDVNIABSBLRI-UHFFFAOYSA-N 0 0 195.270 1.220 10 0 ADAERN CN(C)c1ccc2oc(CO)nc2c1 75844777 572905872 /nfs/dbraw/zinc/90/58/72/572905872.db2.gz WUCPXVWLMPFTHT-UHFFFAOYSA-N 0 0 192.218 1.386 10 0 ADAERN CN(C)c1ccc(F)c(CO)c1 75844574 572905878 /nfs/dbraw/zinc/90/58/78/572905878.db2.gz BQGASDKQRTVEIV-UHFFFAOYSA-N 0 0 169.199 1.384 10 0 ADAERN CC(=O)c1cc(F)cc(CO)c1 75844596 572905881 /nfs/dbraw/zinc/90/58/81/572905881.db2.gz CVSZOUVAGNCJSF-UHFFFAOYSA-N 0 0 168.167 1.521 10 0 ADAERN CC(C)(O)c1cc(F)ccc1O 75845885 572905887 /nfs/dbraw/zinc/90/58/87/572905887.db2.gz XNLDICHBWRKVFZ-UHFFFAOYSA-N 0 0 170.183 1.759 10 0 ADAERN C[C@](O)(c1ncco1)C(F)(F)F 75846500 572905890 /nfs/dbraw/zinc/90/58/90/572905890.db2.gz DRMRJAYJZNOPAV-YFKPBYRVSA-N 0 0 181.113 1.444 10 0 ADAERN CC[C@H](O)[C@@H](C)OC1CCC1 50521221 572905905 /nfs/dbraw/zinc/90/59/05/572905905.db2.gz RYZJOOJREGLYEF-APPZFPTMSA-N 0 0 158.241 1.715 10 0 ADAERN Cc1n[nH]cc1[C@@](C)(O)C(F)(F)F 75846228 572905907 /nfs/dbraw/zinc/90/59/07/572905907.db2.gz AKTPPMWDHZOWHT-ZCFIWIBFSA-N 0 0 194.156 1.488 10 0 ADAERN CCOC(=O)c1coc(C(C)(C)O)n1 75846148 572905912 /nfs/dbraw/zinc/90/59/12/572905912.db2.gz XKEMZZBHKOFXDR-UHFFFAOYSA-N 0 0 199.206 1.079 10 0 ADAERN CC[C@H](C)[N@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306233 572909227 /nfs/dbraw/zinc/90/92/27/572909227.db2.gz PVKLMILRTOAFKW-YIZRAAEISA-N 0 0 187.283 1.826 10 0 ADAERN CCCC[S@](=O)CC(=O)C(C)C 86277627 572905921 /nfs/dbraw/zinc/90/59/21/572905921.db2.gz NQFIVIAACHNFJE-GFCCVEGCSA-N 0 0 190.308 1.760 10 0 ADAERN Cc1cccc2sc(C(=N)N)nc12 75847771 572905941 /nfs/dbraw/zinc/90/59/41/572905941.db2.gz SIENJLZISDCQTL-UHFFFAOYSA-N 0 0 191.259 1.889 10 0 ADAERN CSCCN(C)c1nccnc1C 308181154 572905945 /nfs/dbraw/zinc/90/59/45/572905945.db2.gz GPAONCHLSIGBCB-UHFFFAOYSA-N 0 0 197.307 1.584 10 0 ADAERN C[C@@](O)(c1ncc[nH]1)C(F)(F)F 75846407 572905957 /nfs/dbraw/zinc/90/59/57/572905957.db2.gz RGCXDKSDWUPBCO-RXMQYKEDSA-N 0 0 180.129 1.180 10 0 ADAERN CC(=O)c1ccc(F)c(CO)c1 75844594 572905960 /nfs/dbraw/zinc/90/59/60/572905960.db2.gz VVQRBRWQFCRAFK-UHFFFAOYSA-N 0 0 168.167 1.521 10 0 ADAERN CC[C@@H](C)[S@](=O)CC(=O)C(C)C 86277584 572905979 /nfs/dbraw/zinc/90/59/79/572905979.db2.gz IZRFHBZGQLTSQC-PELKAZGASA-N 0 0 190.308 1.759 10 0 ADAERN OCc1cc(-n2ccnc2)ccc1F 75844604 572906011 /nfs/dbraw/zinc/90/60/11/572906011.db2.gz FPJNWEHYPYDLRX-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN CCn1c(C(N)=O)nc2ccccc21 75847436 572906024 /nfs/dbraw/zinc/90/60/24/572906024.db2.gz SGCJBHRBVJLMAN-UHFFFAOYSA-N 0 0 189.218 1.155 10 0 ADAERN Nc1ccc(C2(O)CCCC2)cn1 75846620 572906032 /nfs/dbraw/zinc/90/60/32/572906032.db2.gz GQCNCPDEINCRLA-UHFFFAOYSA-N 0 0 178.235 1.425 10 0 ADAERN CC(C)CON[C@H](C)c1cn[nH]c1 308183492 572906034 /nfs/dbraw/zinc/90/60/34/572906034.db2.gz IIKPUXQPSZDDKP-MRVPVSSYSA-N 0 0 183.255 1.648 10 0 ADAERN CC(C)(C)c1csc(C(N)=O)n1 75847379 572906062 /nfs/dbraw/zinc/90/60/62/572906062.db2.gz CZGFOXBUOIJRDV-UHFFFAOYSA-N 0 0 184.264 1.540 10 0 ADAERN O=C(OCCCO)[C@H]1C=CCCC1 308181574 572906078 /nfs/dbraw/zinc/90/60/78/572906078.db2.gz GRAJFNPFBCDOOH-VIFPVBQESA-N 0 0 184.235 1.268 10 0 ADAERN OC/C=C/CC[C@@H]1CCCC[C@H]1O 308183719 572906114 /nfs/dbraw/zinc/90/61/14/572906114.db2.gz DQIJLVBZPHDWIQ-WXQKJEBPSA-N 0 0 184.279 1.866 10 0 ADAERN C[C@H](SCCC[NH3+])[C@@H](C)C(=O)[O-] 86295285 572906121 /nfs/dbraw/zinc/90/61/21/572906121.db2.gz SEFOBIYKARJICA-RQJHMYQMSA-N 0 0 191.296 1.178 10 0 ADAERN OCc1ncc(-c2cccnc2)o1 75844766 572906130 /nfs/dbraw/zinc/90/61/30/572906130.db2.gz NTAOOQPMNVDVBI-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN CCC[S@@](=O)CC(=O)C(C)C 86277596 572906132 /nfs/dbraw/zinc/90/61/32/572906132.db2.gz SEBWEODDUHQKRN-NSHDSACASA-N 0 0 176.281 1.370 10 0 ADAERN CC(C)(O)c1ccc(O)cc1F 75845886 572906135 /nfs/dbraw/zinc/90/61/35/572906135.db2.gz UDAOFKOQBFFXPN-UHFFFAOYSA-N 0 0 170.183 1.759 10 0 ADAERN CCOC(=O)c1cncc(C(C)=O)c1 75844379 572906141 /nfs/dbraw/zinc/90/61/41/572906141.db2.gz NGMMQUXWVITXSF-UHFFFAOYSA-N 0 0 193.202 1.461 10 0 ADAERN OCc1nnc2ccc3ccccc3n12 75844741 572906145 /nfs/dbraw/zinc/90/61/45/572906145.db2.gz YHUJDDQQJMKALR-UHFFFAOYSA-N 0 0 199.213 1.375 10 0 ADAERN CC(C)(O)c1ccc(F)c(C(N)=O)c1 75846163 572906161 /nfs/dbraw/zinc/90/61/61/572906161.db2.gz MPXYIQPFQUWSJA-UHFFFAOYSA-N 0 0 197.209 1.152 10 0 ADAERN OC1(c2cccnc2F)CCCC1 75846693 572906174 /nfs/dbraw/zinc/90/61/74/572906174.db2.gz TYFOOFBYDRZLHF-UHFFFAOYSA-N 0 0 181.210 1.982 10 0 ADAERN CCCOCc1nc(C(C)=O)c[nH]1 308183532 572906205 /nfs/dbraw/zinc/90/62/05/572906205.db2.gz IJWMRCYDCSUXHY-UHFFFAOYSA-N 0 0 182.223 1.539 10 0 ADAERN C/C=C\C[C@H](O)[C@@H]1COC(C)(C)O1 308181367 572906207 /nfs/dbraw/zinc/90/62/07/572906207.db2.gz CZIUNYAGBFOXQV-NSVKDGAOSA-N 0 0 186.251 1.465 10 0 ADAERN CC(C)CC[C@@H](CO)[C@@H](C)CO 199300010 572906208 /nfs/dbraw/zinc/90/62/08/572906208.db2.gz QEENRZULWBBBGS-UWVGGRQHSA-N 0 0 174.284 1.660 10 0 ADAERN CC(C)COCC(=O)C(C)C 86277021 572906223 /nfs/dbraw/zinc/90/62/23/572906223.db2.gz CYPUYLLFAYRWEG-UHFFFAOYSA-N 0 0 158.241 1.884 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)n1ccnc1 86295623 572906238 /nfs/dbraw/zinc/90/62/38/572906238.db2.gz AMOHGMITMBIYJA-YUMQZZPRSA-N 0 0 182.223 1.253 10 0 ADAERN CCC[C@@H](C)[C@H](O)c1ncnn1C 308180702 572906240 /nfs/dbraw/zinc/90/62/40/572906240.db2.gz CGGWGLDGANFYLG-SFYZADRCSA-N 0 0 183.255 1.285 10 0 ADAERN Cc1cc(CO)c(O)cc1Cl 75844589 572906245 /nfs/dbraw/zinc/90/62/45/572906245.db2.gz ITAJOLBRPTYLHV-UHFFFAOYSA-N 0 0 172.611 1.846 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)n1ccnc1 86295617 572906249 /nfs/dbraw/zinc/90/62/49/572906249.db2.gz AMOHGMITMBIYJA-JGVFFNPUSA-N 0 0 182.223 1.253 10 0 ADAERN CCC[C@H](C)[C@H](O)c1ncnn1C 308180963 572906262 /nfs/dbraw/zinc/90/62/62/572906262.db2.gz CGGWGLDGANFYLG-YUMQZZPRSA-N 0 0 183.255 1.285 10 0 ADAERN Cc1ccc2nc(C(=N)N)sc2c1 75847736 572906263 /nfs/dbraw/zinc/90/62/63/572906263.db2.gz ZPGSDHSPRCVWGX-UHFFFAOYSA-N 0 0 191.259 1.889 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)n1cc(C)cn1 86295761 572906271 /nfs/dbraw/zinc/90/62/71/572906271.db2.gz BJOQTRPSPURQBH-BDAKNGLRSA-N 0 0 196.250 1.562 10 0 ADAERN O=C(/C=C\C1CC1)N1CCCCC1 308181086 572906275 /nfs/dbraw/zinc/90/62/75/572906275.db2.gz GJCYIYAOHPVELR-SREVYHEPSA-N 0 0 179.263 1.965 10 0 ADAERN CCC(C)(C)[NH2+][C@H](C)[C@@H](C)C(=O)[O-] 86296976 572906278 /nfs/dbraw/zinc/90/62/78/572906278.db2.gz BOGVLNBQPFHRTH-HTQZYQBOSA-N 0 0 187.283 1.874 10 0 ADAERN O[C@@H]1CCC[C@@H]1OC1CCC1 50521294 572906285 /nfs/dbraw/zinc/90/62/85/572906285.db2.gz GNVRUBSLHLYGGQ-BDAKNGLRSA-N 0 0 156.225 1.469 10 0 ADAERN CO[C@H](CC(C)C)[C@@H](O)[C@H](C)CO 308180527 572906293 /nfs/dbraw/zinc/90/62/93/572906293.db2.gz CECCRBYBNGGGNS-BBBLOLIVSA-N 0 0 190.283 1.037 10 0 ADAERN CC[C@H](O)COC1CCC1 50521189 572906309 /nfs/dbraw/zinc/90/63/09/572906309.db2.gz CXIGABDJEMVFCP-ZETCQYMHSA-N 0 0 144.214 1.326 10 0 ADAERN CCCN(CCO)c1ccc(C=O)o1 50544220 572906313 /nfs/dbraw/zinc/90/63/13/572906313.db2.gz PRGBCMFNGKLMOC-UHFFFAOYSA-N 0 0 197.234 1.301 10 0 ADAERN COC(=O)[C@H](C)[C@H](O)[C@@H]1CC1(C)C 308181273 572906324 /nfs/dbraw/zinc/90/63/24/572906324.db2.gz CSHCBVPTCPWOMF-CSMHCCOUSA-N 0 0 186.251 1.203 10 0 ADAERN O[C@@H]1CCCC[C@@H]1OC1CCC1 50521211 572906337 /nfs/dbraw/zinc/90/63/37/572906337.db2.gz BBHYTTXGKCFXEQ-ZJUUUORDSA-N 0 0 170.252 1.859 10 0 ADAERN CC(C)C(=O)CSCCCO 86277393 572906340 /nfs/dbraw/zinc/90/63/40/572906340.db2.gz JVNMFECLLODSDD-UHFFFAOYSA-N 0 0 176.281 1.327 10 0 ADAERN Cc1ccc2sc(C(N)=O)nc2c1 75847394 572906347 /nfs/dbraw/zinc/90/63/47/572906347.db2.gz GTIOFMLHYYIVKA-UHFFFAOYSA-N 0 0 192.243 1.704 10 0 ADAERN O=C(OCC1(F)CC1)c1ccon1 308181578 572906367 /nfs/dbraw/zinc/90/63/67/572906367.db2.gz GRPHLBAFMSQLQP-UHFFFAOYSA-N 0 0 185.154 1.334 10 0 ADAERN CCCn1cc(C(=O)C(F)F)nn1 308181006 572906378 /nfs/dbraw/zinc/90/63/78/572906378.db2.gz CJHVXNRVSNJRJS-UHFFFAOYSA-N 0 0 189.165 1.136 10 0 ADAERN CC(C)(O)c1ccnn1C1CC1 75846118 572906384 /nfs/dbraw/zinc/90/63/84/572906384.db2.gz UNNZBQHORKFVAS-UHFFFAOYSA-N 0 0 166.224 1.445 10 0 ADAERN OCc1ncc(-c2ccccn2)o1 75844765 572906387 /nfs/dbraw/zinc/90/63/87/572906387.db2.gz UDZHLEQHOLMZRS-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN OC/C=C\CC[C@@H]1CCCC[C@@H]1O 308183715 572906396 /nfs/dbraw/zinc/90/63/96/572906396.db2.gz DQIJLVBZPHDWIQ-KLTMNRJOSA-N 0 0 184.279 1.866 10 0 ADAERN N=C(N)c1ncc(-c2ccccn2)o1 75847960 572906401 /nfs/dbraw/zinc/90/64/01/572906401.db2.gz GVJHFGYSCMORQX-UHFFFAOYSA-N 0 0 188.190 1.021 10 0 ADAERN O=C(C=C(O)C1CC1)C1CCC1 379082080 572906417 /nfs/dbraw/zinc/90/64/17/572906417.db2.gz AWLBUXXASGZYPQ-UHFFFAOYSA-N 0 0 166.220 1.725 10 0 ADAERN NC(=O)c1nc2ccc(F)cc2s1 75847377 572906421 /nfs/dbraw/zinc/90/64/21/572906421.db2.gz HJKJPCQZFBRCKV-UHFFFAOYSA-N 0 0 196.206 1.534 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)n1ccc(C)n1 86296179 572906433 /nfs/dbraw/zinc/90/64/33/572906433.db2.gz DPQSPYXYUXJTSS-BDAKNGLRSA-N 0 0 196.250 1.562 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)n1cccn1 86295582 572906437 /nfs/dbraw/zinc/90/64/37/572906437.db2.gz WZKZKDJFTPGPJL-SFYZADRCSA-N 0 0 182.223 1.253 10 0 ADAERN CCOc1cnn([C@@H](C)C(C)=O)c1 308180942 572906439 /nfs/dbraw/zinc/90/64/39/572906439.db2.gz HHGUMQNPWOSJEZ-ZETCQYMHSA-N 0 0 182.223 1.432 10 0 ADAERN COCCCOCC(=O)C(C)C 86277138 572906440 /nfs/dbraw/zinc/90/64/40/572906440.db2.gz BWYIQESLVSHFQA-UHFFFAOYSA-N 0 0 174.240 1.265 10 0 ADAERN CN(C)c1ccc(F)c(C(=N)NO)c1 75848035 572906442 /nfs/dbraw/zinc/90/64/42/572906442.db2.gz VTBDEEVUYQXSPK-UHFFFAOYSA-N 0 0 197.213 1.196 10 0 ADAERN CC(C)C[C@H](O)C[C@@H](C)CO 168320880 572906461 /nfs/dbraw/zinc/90/64/61/572906461.db2.gz WDNLLBVNODECJA-BDAKNGLRSA-N 0 0 160.257 1.412 10 0 ADAERN CCCC[S@@](=O)CC(=O)C(C)C 86277626 572906472 /nfs/dbraw/zinc/90/64/72/572906472.db2.gz NQFIVIAACHNFJE-LBPRGKRZSA-N 0 0 190.308 1.760 10 0 ADAERN O=C(OCCCO)[C@@H]1C=CCCC1 308181573 572906481 /nfs/dbraw/zinc/90/64/81/572906481.db2.gz GRAJFNPFBCDOOH-SECBINFHSA-N 0 0 184.235 1.268 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)n1ccnc1 86295620 572906482 /nfs/dbraw/zinc/90/64/82/572906482.db2.gz AMOHGMITMBIYJA-HTQZYQBOSA-N 0 0 182.223 1.253 10 0 ADAERN COC(=O)[C@@](C)(O)CCC(C)(C)C 308183702 572906495 /nfs/dbraw/zinc/90/64/95/572906495.db2.gz IMTWUMRLFBCFTP-JTQLQIEISA-N 0 0 188.267 1.737 10 0 ADAERN CN(C)c1cccc(CO)c1F 75844575 572906496 /nfs/dbraw/zinc/90/64/96/572906496.db2.gz VGNPXKSYLMMING-UHFFFAOYSA-N 0 0 169.199 1.384 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)SCCC[NH3+] 86295278 572906511 /nfs/dbraw/zinc/90/65/11/572906511.db2.gz SEFOBIYKARJICA-RNFRBKRXSA-N 0 0 191.296 1.178 10 0 ADAERN CC(C)C(=O)CSC[C@@H](C)CO 86277383 572906515 /nfs/dbraw/zinc/90/65/15/572906515.db2.gz QBIPLYCPNLOPIC-QMMMGPOBSA-N 0 0 190.308 1.573 10 0 ADAERN CN(C)c1ccc2nc(CO)oc2c1 75844778 572906519 /nfs/dbraw/zinc/90/65/19/572906519.db2.gz HFSSTRUZXMPERD-UHFFFAOYSA-N 0 0 192.218 1.386 10 0 ADAERN CC(C)C[S@@](=O)CC(=O)C(C)C 86277617 572906530 /nfs/dbraw/zinc/90/65/30/572906530.db2.gz FGBGPZDGZSNAIS-LBPRGKRZSA-N 0 0 190.308 1.616 10 0 ADAERN Nc1cccc(-n2ccnc2C=O)c1 75844238 572906541 /nfs/dbraw/zinc/90/65/41/572906541.db2.gz RIMOHTAUSMOLLY-UHFFFAOYSA-N 0 0 187.202 1.267 10 0 ADAERN Nc1ccc2nc(C=O)sc2c1 75844186 572906559 /nfs/dbraw/zinc/90/65/59/572906559.db2.gz MOYXDTAPSRXGSM-UHFFFAOYSA-N 0 0 178.216 1.691 10 0 ADAERN O[C@H]1CCC[C@H]1OC1CCC1 50521291 572906561 /nfs/dbraw/zinc/90/65/61/572906561.db2.gz GNVRUBSLHLYGGQ-DTWKUNHWSA-N 0 0 156.225 1.469 10 0 ADAERN CC(C)(C)n1nccc1CO 75844755 572906564 /nfs/dbraw/zinc/90/65/64/572906564.db2.gz YZAADOUROAUCGB-UHFFFAOYSA-N 0 0 154.213 1.130 10 0 ADAERN CC(C)C[C@H](C)n1cc(CO)nn1 308182982 572906572 /nfs/dbraw/zinc/90/65/72/572906572.db2.gz IHFSBXUBYHKFPC-QMMMGPOBSA-N 0 0 183.255 1.378 10 0 ADAERN O=C(OCCF)c1cccnc1F 308183767 572906597 /nfs/dbraw/zinc/90/65/97/572906597.db2.gz HYBDWVHRXADSAP-UHFFFAOYSA-N 0 0 187.145 1.347 10 0 ADAERN CC(C)(O)c1nc2c(s1)COCC2 75845967 572906645 /nfs/dbraw/zinc/90/66/45/572906645.db2.gz YTODKVUTGXRPFV-UHFFFAOYSA-N 0 0 199.275 1.443 10 0 ADAERN OCc1cccc(-n2cccn2)c1F 75844603 572906650 /nfs/dbraw/zinc/90/66/50/572906650.db2.gz QZDSMUPVQLXITJ-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN C[C@H](N)c1nc2ccc(N)cc2o1 75845375 572906668 /nfs/dbraw/zinc/90/66/68/572906668.db2.gz WIXVVIZVNVLBQL-YFKPBYRVSA-N 0 0 177.207 1.430 10 0 ADAERN C[C@H](N)c1ncc(-c2ccccn2)o1 75845370 572906676 /nfs/dbraw/zinc/90/66/76/572906676.db2.gz KTJUOQJMTWHQNN-ZETCQYMHSA-N 0 0 189.218 1.756 10 0 ADAERN OCc1cccc(-n2ccnc2)c1F 75844605 572906682 /nfs/dbraw/zinc/90/66/82/572906682.db2.gz HZIXACNIVZJKFY-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN Nc1cc(-c2cc[nH]n2)ccc1F 75843659 572906696 /nfs/dbraw/zinc/90/66/96/572906696.db2.gz FOBBWRFYABBCGY-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)n1cc(C)cn1 86295766 572906698 /nfs/dbraw/zinc/90/66/98/572906698.db2.gz BJOQTRPSPURQBH-IUCAKERBSA-N 0 0 196.250 1.562 10 0 ADAERN NN[C@H](C1CC1)C(C1CC1)C1CC1 308180568 572906707 /nfs/dbraw/zinc/90/67/07/572906707.db2.gz CEXJRUVYCWCPEB-LLVKDONJSA-N 0 0 180.295 1.665 10 0 ADAERN Cc1cc(N(C)C)ccc1CO 50582597 572910255 /nfs/dbraw/zinc/91/02/55/572910255.db2.gz CFHFJLALANZHQM-UHFFFAOYSA-N 0 0 165.236 1.553 10 0 ADAERN C/C=C\C[C@H](O)[C@H]1COC(C)(C)O1 308181366 572906734 /nfs/dbraw/zinc/90/67/34/572906734.db2.gz CZIUNYAGBFOXQV-CGECUYNFSA-N 0 0 186.251 1.465 10 0 ADAERN N=C(N)c1ncc(-c2cccnc2)o1 75847961 572906737 /nfs/dbraw/zinc/90/67/37/572906737.db2.gz QJEVOLKIIJMVIR-UHFFFAOYSA-N 0 0 188.190 1.021 10 0 ADAERN OC/C=C\CC[C@@H]1CCCC[C@H]1O 308183720 572906738 /nfs/dbraw/zinc/90/67/38/572906738.db2.gz DQIJLVBZPHDWIQ-ZMYMIGOBSA-N 0 0 184.279 1.866 10 0 ADAERN CN(C)c1ccc(CO)c(F)c1 75844584 572906747 /nfs/dbraw/zinc/90/67/47/572906747.db2.gz XPWIAOQPUAHZKK-UHFFFAOYSA-N 0 0 169.199 1.384 10 0 ADAERN CO[C@H](CC(C)C)[C@H](O)[C@H](C)CO 308180530 572906760 /nfs/dbraw/zinc/90/67/60/572906760.db2.gz CECCRBYBNGGGNS-OPRDCNLKSA-N 0 0 190.283 1.037 10 0 ADAERN CCOCCCC(=O)N(C)OCC 308181153 572906783 /nfs/dbraw/zinc/90/67/83/572906783.db2.gz GOUYPKFFSZZRCU-UHFFFAOYSA-N 0 0 189.255 1.213 10 0 ADAERN CO[C@H](CC(C)C)[C@H](O)[C@@H](C)CO 308180529 572906800 /nfs/dbraw/zinc/90/68/00/572906800.db2.gz CECCRBYBNGGGNS-IVZWLZJFSA-N 0 0 190.283 1.037 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)n1ccnc1C 86295560 572906805 /nfs/dbraw/zinc/90/68/05/572906805.db2.gz PLLILUUVDDCODH-JGVFFNPUSA-N 0 0 196.250 1.562 10 0 ADAERN CC(=O)c1cc(F)cc(C(N)=O)c1 75847354 572906813 /nfs/dbraw/zinc/90/68/13/572906813.db2.gz HZDBTWLNXDTFTF-UHFFFAOYSA-N 0 0 181.166 1.127 10 0 ADAERN C/C=C/C(=O)N(CC(C)(C)C)OC 308180491 572906814 /nfs/dbraw/zinc/90/68/14/572906814.db2.gz HBODOKPPRULAGS-VOTSOKGWSA-N 0 0 185.267 1.999 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)n1ccc(C)n1 86296182 572906835 /nfs/dbraw/zinc/90/68/35/572906835.db2.gz DPQSPYXYUXJTSS-RKDXNWHRSA-N 0 0 196.250 1.562 10 0 ADAERN COC[C@H](C)OCC(=O)C(C)C 86277264 572906838 /nfs/dbraw/zinc/90/68/38/572906838.db2.gz OSYGVNXARMMLDD-QMMMGPOBSA-N 0 0 174.240 1.263 10 0 ADAERN Cc1cc(C(N)=O)c(O)cc1Cl 75847343 572906860 /nfs/dbraw/zinc/90/68/60/572906860.db2.gz SLDZKOCKEUACRI-UHFFFAOYSA-N 0 0 185.610 1.453 10 0 ADAERN OCc1ccc(OC2CCC2)nc1 50520869 572906862 /nfs/dbraw/zinc/90/68/62/572906862.db2.gz GNPGTCWXZNSILQ-UHFFFAOYSA-N 0 0 179.219 1.505 10 0 ADAERN C[C@H](O)[C@H](C)O/C=C\CCCCO 308180998 572906910 /nfs/dbraw/zinc/90/69/10/572906910.db2.gz CIUPMRQKGPZUGI-RASWUEQRSA-N 0 0 188.267 1.449 10 0 ADAERN Cn1ncc2ccc(F)c(CO)c21 75844743 572906913 /nfs/dbraw/zinc/90/69/13/572906913.db2.gz PVJGSSWNXQMROX-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN OC1(c2ncco2)CCCC1 75846950 572906933 /nfs/dbraw/zinc/90/69/33/572906933.db2.gz NRKGHHSTQWTVFS-UHFFFAOYSA-N 0 0 153.181 1.436 10 0 ADAERN COC(=O)[C@H](C)[C@H](O)[C@H]1CC1(C)C 308181275 572906937 /nfs/dbraw/zinc/90/69/37/572906937.db2.gz CSHCBVPTCPWOMF-PRJMDXOYSA-N 0 0 186.251 1.203 10 0 ADAERN OCc1cc(-n2cccn2)ccc1F 75844601 572906940 /nfs/dbraw/zinc/90/69/40/572906940.db2.gz BWOQVJQCYNHLMD-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN OC1(c2ncccc2F)CCCC1 75846692 572906954 /nfs/dbraw/zinc/90/69/54/572906954.db2.gz QXOZRXSTQKPWQL-UHFFFAOYSA-N 0 0 181.210 1.982 10 0 ADAERN CC(C)C(=O)CO[C@@H]1CCOC1 86277249 572906969 /nfs/dbraw/zinc/90/69/69/572906969.db2.gz IPNPTOBRPNRFDM-MRVPVSSYSA-N 0 0 172.224 1.017 10 0 ADAERN NC(=O)c1nc2c(s1)CCCC2 75847374 572907022 /nfs/dbraw/zinc/90/70/22/572907022.db2.gz WAKDUKCEJKCNHN-UHFFFAOYSA-N 0 0 182.248 1.121 10 0 ADAERN OC/C=C/CC[C@@H]1CCCC[C@@H]1O 308183717 572907024 /nfs/dbraw/zinc/90/70/24/572907024.db2.gz DQIJLVBZPHDWIQ-ORNFHUABSA-N 0 0 184.279 1.866 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)n1cccn1 86295575 572907026 /nfs/dbraw/zinc/90/70/26/572907026.db2.gz WZKZKDJFTPGPJL-JGVFFNPUSA-N 0 0 182.223 1.253 10 0 ADAERN OCc1nc2c(O)cccc2s1 75844637 572907037 /nfs/dbraw/zinc/90/70/37/572907037.db2.gz IOMOWSGTLRXSSS-UHFFFAOYSA-N 0 0 181.216 1.494 10 0 ADAERN COC(=O)[C@](C)(O)CCC(C)(C)C 308183706 572907046 /nfs/dbraw/zinc/90/70/46/572907046.db2.gz IMTWUMRLFBCFTP-SNVBAGLBSA-N 0 0 188.267 1.737 10 0 ADAERN C/C=C\[C@H](CCCCO)OC(C)=O 308180673 572907082 /nfs/dbraw/zinc/90/70/82/572907082.db2.gz CGEODNTUADAVOE-XICOKMJESA-N 0 0 186.251 1.657 10 0 ADAERN CC(C)C(=O)COCC1CC1 86277043 572907051 /nfs/dbraw/zinc/90/70/51/572907051.db2.gz PAKJBWHGSJDUJA-UHFFFAOYSA-N 0 0 156.225 1.638 10 0 ADAERN CC(C)C(=O)COC[C@@H]1CCOC1 86277151 572907065 /nfs/dbraw/zinc/90/70/65/572907065.db2.gz IGHVWVGTCZXZKR-SECBINFHSA-N 0 0 186.251 1.265 10 0 ADAERN CO[C@H](CC(C)C)[C@@H](O)[C@@H](C)CO 308180526 572907067 /nfs/dbraw/zinc/90/70/67/572907067.db2.gz CECCRBYBNGGGNS-AEJSXWLSSA-N 0 0 190.283 1.037 10 0 ADAERN CC[C@H](C)[S@@](=O)CC(=O)C(C)C 86277582 572907071 /nfs/dbraw/zinc/90/70/71/572907071.db2.gz IZRFHBZGQLTSQC-QPUJVOFHSA-N 0 0 190.308 1.759 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)S[C@H](C)C[NH3+] 86295238 572907090 /nfs/dbraw/zinc/90/70/90/572907090.db2.gz NPCQDMMAUACQIB-FSDSQADBSA-N 0 0 191.296 1.176 10 0 ADAERN COCCCCC(=O)C(C)(C)OC 308180576 572907132 /nfs/dbraw/zinc/90/71/32/572907132.db2.gz CFIWSLPPQBTCPB-UHFFFAOYSA-N 0 0 188.267 1.797 10 0 ADAERN COc1cnn(CCCC(C)=O)c1 308185788 572907137 /nfs/dbraw/zinc/90/71/37/572907137.db2.gz JNSMXHZEYSCWFD-UHFFFAOYSA-N 0 0 182.223 1.261 10 0 ADAERN C[C@H](O)[C@@H](C)O/C=C/CCCCO 308180996 572907150 /nfs/dbraw/zinc/90/71/50/572907150.db2.gz CIUPMRQKGPZUGI-JSJQHLISSA-N 0 0 188.267 1.449 10 0 ADAERN CC(C)C(=O)COC[C@@H]1CCCO1 86277007 572907151 /nfs/dbraw/zinc/90/71/51/572907151.db2.gz ONLZDYVKWOXPLA-VIFPVBQESA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)CON[C@@H](C)c1cn[nH]c1 308183494 572907168 /nfs/dbraw/zinc/90/71/68/572907168.db2.gz IIKPUXQPSZDDKP-QMMMGPOBSA-N 0 0 183.255 1.648 10 0 ADAERN CC(C)C(=O)CSC[C@H](C)CO 86277386 572907192 /nfs/dbraw/zinc/90/71/92/572907192.db2.gz QBIPLYCPNLOPIC-MRVPVSSYSA-N 0 0 190.308 1.573 10 0 ADAERN CCN(C)c1ccc(CO)cc1C 50560720 572907198 /nfs/dbraw/zinc/90/71/98/572907198.db2.gz FEDNJGBQPYQNCQ-UHFFFAOYSA-N 0 0 179.263 1.943 10 0 ADAERN COC[C@@H](C)OCC(=O)C(C)C 86277266 572907206 /nfs/dbraw/zinc/90/72/06/572907206.db2.gz OSYGVNXARMMLDD-MRVPVSSYSA-N 0 0 174.240 1.263 10 0 ADAERN CCS[C@H](C)[C@H](C)C(=O)OC 86293554 572907218 /nfs/dbraw/zinc/90/72/18/572907218.db2.gz CWYDJRABLCYPBK-NKWVEPMBSA-N 0 0 176.281 1.937 10 0 ADAERN CCC(C)(C)[NH2+][C@@H](C)[C@@H](C)C(=O)[O-] 86296973 572907226 /nfs/dbraw/zinc/90/72/26/572907226.db2.gz BOGVLNBQPFHRTH-SFYZADRCSA-N 0 0 187.283 1.874 10 0 ADAERN CCOCCOCC(=O)C(C)C 86277010 572907231 /nfs/dbraw/zinc/90/72/31/572907231.db2.gz APANTAHCUXJFDK-UHFFFAOYSA-N 0 0 174.240 1.265 10 0 ADAERN COC(=O)[C@H](C)[C@@H](O)[C@H]1CC1(C)C 308181272 572907266 /nfs/dbraw/zinc/90/72/66/572907266.db2.gz CSHCBVPTCPWOMF-BWZBUEFSSA-N 0 0 186.251 1.203 10 0 ADAERN CC(C)COCCOc1cn[nH]c1 308180923 572907282 /nfs/dbraw/zinc/90/72/82/572907282.db2.gz HGOGJSVICLWUAP-UHFFFAOYSA-N 0 0 184.239 1.461 10 0 ADAERN O[C@H]1CCC[C@@H]1OC1CCC1 50521292 572907290 /nfs/dbraw/zinc/90/72/90/572907290.db2.gz GNVRUBSLHLYGGQ-IUCAKERBSA-N 0 0 156.225 1.469 10 0 ADAERN CNC(=S)c1ncc2ccccn12 75856669 572907297 /nfs/dbraw/zinc/90/72/97/572907297.db2.gz JMSODRDXFNSWQR-UHFFFAOYSA-N 0 0 191.259 1.229 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)n1cccn1 86295579 572907334 /nfs/dbraw/zinc/90/73/34/572907334.db2.gz WZKZKDJFTPGPJL-YUMQZZPRSA-N 0 0 182.223 1.253 10 0 ADAERN CC(C)C(=O)COC1CCOCC1 86277150 572907341 /nfs/dbraw/zinc/90/73/41/572907341.db2.gz CCUHACQGEQULHZ-UHFFFAOYSA-N 0 0 186.251 1.407 10 0 ADAERN C[C@H](S[C@H](C)C[NH3+])[C@@H](C)C(=O)[O-] 86295231 572907343 /nfs/dbraw/zinc/90/73/43/572907343.db2.gz NPCQDMMAUACQIB-QYNIQEEDSA-N 0 0 191.296 1.176 10 0 ADAERN OCCc1ncc(-c2ccccc2)o1 75864543 572908057 /nfs/dbraw/zinc/90/80/57/572908057.db2.gz AUGFKWAYTZKHJV-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN O[C@H]1CCCC[C@H]1OC1CCC1 50521214 572907347 /nfs/dbraw/zinc/90/73/47/572907347.db2.gz BBHYTTXGKCFXEQ-VHSXEESVSA-N 0 0 170.252 1.859 10 0 ADAERN CC(=O)c1ccc(F)c(CCO)c1 75856884 572907365 /nfs/dbraw/zinc/90/73/65/572907365.db2.gz FSMJXARCPOVKPH-UHFFFAOYSA-N 0 0 182.194 1.563 10 0 ADAERN C/C=C\C(=O)N(CC(C)(C)C)OC 308180490 572907374 /nfs/dbraw/zinc/90/73/74/572907374.db2.gz HBODOKPPRULAGS-SREVYHEPSA-N 0 0 185.267 1.999 10 0 ADAERN OCc1cc(OC2CCC2)ccn1 50520867 572907378 /nfs/dbraw/zinc/90/73/78/572907378.db2.gz DQJMIVZWOJTRIE-UHFFFAOYSA-N 0 0 179.219 1.505 10 0 ADAERN CC[C@H](O)[C@H](C)OC1CCC1 50521223 572907388 /nfs/dbraw/zinc/90/73/88/572907388.db2.gz RYZJOOJREGLYEF-CBAPKCEASA-N 0 0 158.241 1.715 10 0 ADAERN COC(=O)CSCC(=O)C(C)C 86277333 572907391 /nfs/dbraw/zinc/90/73/91/572907391.db2.gz ZQYNQUDLEKSQRB-UHFFFAOYSA-N 0 0 190.264 1.118 10 0 ADAERN O[C@H](c1ccccc1)c1nccn1O 75870485 572907393 /nfs/dbraw/zinc/90/73/93/572907393.db2.gz AGBBLFOHGGFAOG-SECBINFHSA-N 0 0 190.202 1.202 10 0 ADAERN Nc1ccc2sc(CCO)nc2c1 75864241 572907402 /nfs/dbraw/zinc/90/74/02/572907402.db2.gz SJFDFDSPZVFCKQ-UHFFFAOYSA-N 0 0 194.259 1.413 10 0 ADAERN COCCCSCC(=O)C(C)C 86277380 572907407 /nfs/dbraw/zinc/90/74/07/572907407.db2.gz SUCZOLITSIODGU-UHFFFAOYSA-N 0 0 190.308 1.981 10 0 ADAERN CCS[C@@H](C)[C@@H](C)C(=O)OC 86293544 572907423 /nfs/dbraw/zinc/90/74/23/572907423.db2.gz CWYDJRABLCYPBK-RQJHMYQMSA-N 0 0 176.281 1.937 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)n1ccnc1C 86295557 572907441 /nfs/dbraw/zinc/90/74/41/572907441.db2.gz PLLILUUVDDCODH-YUMQZZPRSA-N 0 0 196.250 1.562 10 0 ADAERN C[C@H](O)[C@H](C)O/C=C/CCCCO 308180997 572907490 /nfs/dbraw/zinc/90/74/90/572907490.db2.gz CIUPMRQKGPZUGI-OKJFYCPLSA-N 0 0 188.267 1.449 10 0 ADAERN CNC(=S)c1ccc(NC)c(F)c1 75856800 572907516 /nfs/dbraw/zinc/90/75/16/572907516.db2.gz HJGAYLHDXFZDIH-UHFFFAOYSA-N 0 0 198.266 1.762 10 0 ADAERN CCC(=O)COC1CCC1 50520775 572907540 /nfs/dbraw/zinc/90/75/40/572907540.db2.gz GSKVFDCIJQJCSR-UHFFFAOYSA-N 0 0 142.198 1.535 10 0 ADAERN CCCCOCCOc1cn[nH]c1 308183647 572907542 /nfs/dbraw/zinc/90/75/42/572907542.db2.gz ILWNQQFCXXXZGU-UHFFFAOYSA-N 0 0 184.239 1.605 10 0 ADAERN C/C=C/COCC(=O)C(C)C 86277234 572907553 /nfs/dbraw/zinc/90/75/53/572907553.db2.gz BDAFBOZZUHBWKU-SNAWJCMRSA-N 0 0 156.225 1.804 10 0 ADAERN C/C=C\[C@H](O)[C@H]1[C@H]2CCC[C@H]2[C@H]1O 308182221 572910748 /nfs/dbraw/zinc/91/07/48/572910748.db2.gz CYEIWVNYXZAALB-HVSLEXTRSA-N 0 0 182.263 1.330 10 0 ADAERN CC(C)C(=O)CS[C@@H](C)CCO 86277389 572907568 /nfs/dbraw/zinc/90/75/68/572907568.db2.gz IHJYXPUJRJOPQT-QMMMGPOBSA-N 0 0 190.308 1.716 10 0 ADAERN C[C@H](SCCC[NH3+])[C@H](C)C(=O)[O-] 86295282 572907572 /nfs/dbraw/zinc/90/75/72/572907572.db2.gz SEFOBIYKARJICA-BQBZGAKWSA-N 0 0 191.296 1.178 10 0 ADAERN Cc1coc([C@@H](O)c2ccncc2)n1 75871297 572907594 /nfs/dbraw/zinc/90/75/94/572907594.db2.gz UWHBZFYEYDUTME-VIFPVBQESA-N 0 0 190.202 1.460 10 0 ADAERN COCCSCC(=O)C(C)C 86277330 572907624 /nfs/dbraw/zinc/90/76/24/572907624.db2.gz JCOLLGGVUZJBMK-UHFFFAOYSA-N 0 0 176.281 1.591 10 0 ADAERN C[C@@H](SCCC[NH3+])[C@H](C)C(=O)[O-] 86295276 572907634 /nfs/dbraw/zinc/90/76/34/572907634.db2.gz SEFOBIYKARJICA-NKWVEPMBSA-N 0 0 191.296 1.178 10 0 ADAERN CC(=O)CCOC1CCC1 50520780 572907655 /nfs/dbraw/zinc/90/76/55/572907655.db2.gz BTHIMFAPUBDFQA-UHFFFAOYSA-N 0 0 142.198 1.535 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)n1ccnc1 86295625 572907657 /nfs/dbraw/zinc/90/76/57/572907657.db2.gz AMOHGMITMBIYJA-SFYZADRCSA-N 0 0 182.223 1.253 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)n1cccn1 86295576 572907663 /nfs/dbraw/zinc/90/76/63/572907663.db2.gz WZKZKDJFTPGPJL-HTQZYQBOSA-N 0 0 182.223 1.253 10 0 ADAERN CNC(=S)c1ccc(OC)cc1F 75856472 572910751 /nfs/dbraw/zinc/91/07/51/572910751.db2.gz LFSUTUMJLITEJD-UHFFFAOYSA-N 0 0 199.250 1.729 10 0 ADAERN O=C([O-])CCCCC[NH2+]CCCF 308183523 572907717 /nfs/dbraw/zinc/90/77/17/572907717.db2.gz IJOUYWCKSKIGOY-UHFFFAOYSA-N 0 0 191.246 1.581 10 0 ADAERN CNc1ccc(CCO)cc1F 75864593 572907719 /nfs/dbraw/zinc/90/77/19/572907719.db2.gz HKKNUQUFYKLJDA-UHFFFAOYSA-N 0 0 169.199 1.402 10 0 ADAERN CNC(=S)c1ccnn1C(C)(C)C 75856762 572907725 /nfs/dbraw/zinc/90/77/25/572907725.db2.gz IBDLNRXQZTYGDL-UHFFFAOYSA-N 0 0 197.307 1.533 10 0 ADAERN CCCOCC(=O)c1coc(C)n1 308180882 572907726 /nfs/dbraw/zinc/90/77/26/572907726.db2.gz HDHQXBXSLAHEJO-UHFFFAOYSA-N 0 0 183.207 1.592 10 0 ADAERN Cn1cc2ccc(F)c(CCO)c2n1 75864484 572907729 /nfs/dbraw/zinc/90/77/29/572907729.db2.gz BLUHNHVBFMAHSG-UHFFFAOYSA-N 0 0 194.209 1.247 10 0 ADAERN CC[C@H](C)[S@](=O)CC(=O)C(C)C 86277586 572907731 /nfs/dbraw/zinc/90/77/31/572907731.db2.gz IZRFHBZGQLTSQC-UFBFGSQYSA-N 0 0 190.308 1.759 10 0 ADAERN CNC(=S)c1cc(F)ccc1N 75856799 572907733 /nfs/dbraw/zinc/90/77/33/572907733.db2.gz KXMIJCYLIVJQBY-UHFFFAOYSA-N 0 0 184.239 1.303 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)n1ccnc1C 86295554 572907735 /nfs/dbraw/zinc/90/77/35/572907735.db2.gz PLLILUUVDDCODH-HTQZYQBOSA-N 0 0 196.250 1.562 10 0 ADAERN Cc1ccc(CCN2CC[NH+]=C2[O-])o1 689775994 572910754 /nfs/dbraw/zinc/91/07/54/572910754.db2.gz CTANSOHOQFMWOY-UHFFFAOYSA-N 0 0 194.234 1.156 10 0 ADAERN CCOC(=O)C(=O)c1ccc(N)cc1 75865305 572907746 /nfs/dbraw/zinc/90/77/46/572907746.db2.gz XQSGWFJORKIDCD-UHFFFAOYSA-N 0 0 193.202 1.015 10 0 ADAERN CCOCCN1CCC(=O)[C@H](C)[C@@H]1C 86303722 572910757 /nfs/dbraw/zinc/91/07/57/572910757.db2.gz DENVTOFDTMMZBZ-ZJUUUORDSA-N 0 0 199.294 1.322 10 0 ADAERN C[C@H]([NH3+])CS[C@H](C)[C@@H](C)C(=O)[O-] 86295258 572907773 /nfs/dbraw/zinc/90/77/73/572907773.db2.gz ZZUVWYCKCFPYJZ-RRKCRQDMSA-N 0 0 191.296 1.176 10 0 ADAERN CC(C)C[S@](=O)CC(=O)C(C)C 86277620 572907790 /nfs/dbraw/zinc/90/77/90/572907790.db2.gz FGBGPZDGZSNAIS-GFCCVEGCSA-N 0 0 190.308 1.616 10 0 ADAERN CNC(=S)c1ncc2sccn12 75856672 572907796 /nfs/dbraw/zinc/90/77/96/572907796.db2.gz PNVZMTGOWPUEQM-UHFFFAOYSA-N 0 0 197.288 1.291 10 0 ADAERN O=C(c1ccncc1)c1ncco1 75870932 572907814 /nfs/dbraw/zinc/90/78/14/572907814.db2.gz IHCMQKFCQPOSSX-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN CC(C)C(=O)COCC(F)(F)F 86277050 572907826 /nfs/dbraw/zinc/90/78/26/572907826.db2.gz PIUXLMMZDUSUAJ-UHFFFAOYSA-N 0 0 184.157 1.790 10 0 ADAERN CC(C)C(=O)CSc1cnn(C)c1 86277348 572907834 /nfs/dbraw/zinc/90/78/34/572907834.db2.gz APBJTMMRZOCSJB-UHFFFAOYSA-N 0 0 198.291 1.737 10 0 ADAERN Cc1ccc(N)c(CCO)c1 75856853 572907851 /nfs/dbraw/zinc/90/78/51/572907851.db2.gz XJYGWRKXQYSLQS-UHFFFAOYSA-N 0 0 151.209 1.112 10 0 ADAERN CN(C)c1cccc(F)c1CCO 75856837 572907877 /nfs/dbraw/zinc/90/78/77/572907877.db2.gz RRHUARWXJJHQJL-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN CC(C)C(=O)C[S@@](=O)C(C)(C)C 86277592 572907886 /nfs/dbraw/zinc/90/78/86/572907886.db2.gz VSPPVPUTROXPHT-LBPRGKRZSA-N 0 0 190.308 1.759 10 0 ADAERN OCCc1c(F)ccc2cccnc12 75856890 572907887 /nfs/dbraw/zinc/90/78/87/572907887.db2.gz UCSSXZUTEKSALY-UHFFFAOYSA-N 0 0 191.205 1.909 10 0 ADAERN CCS[C@@H](C)[C@H](C)C(=O)OC 86293552 572907899 /nfs/dbraw/zinc/90/78/99/572907899.db2.gz CWYDJRABLCYPBK-BQBZGAKWSA-N 0 0 176.281 1.937 10 0 ADAERN O=CN/C=C\c1cccc2ncccc12 200215651 572907903 /nfs/dbraw/zinc/90/79/03/572907903.db2.gz AHZHKOMKTQEYFC-VURMDHGXSA-N 0 0 198.225 1.952 10 0 ADAERN C[C@H](OC1CCC1)[C@@H](C)O 50521382 572907969 /nfs/dbraw/zinc/90/79/69/572907969.db2.gz BAXKLMRJRKTANX-RQJHMYQMSA-N 0 0 144.214 1.325 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)n1ccnc1C 86295553 572907924 /nfs/dbraw/zinc/90/79/24/572907924.db2.gz PLLILUUVDDCODH-SFYZADRCSA-N 0 0 196.250 1.562 10 0 ADAERN CNC(=S)c1ccc(O)c(F)c1 75856798 572907934 /nfs/dbraw/zinc/90/79/34/572907934.db2.gz KHPJDIPEYQNYCZ-UHFFFAOYSA-N 0 0 185.223 1.426 10 0 ADAERN CC[C@@H](O)COC1CCC1 50521190 572907957 /nfs/dbraw/zinc/90/79/57/572907957.db2.gz CXIGABDJEMVFCP-SSDOTTSWSA-N 0 0 144.214 1.326 10 0 ADAERN CCCOCCOCC(=O)C(C)C 86277258 572907959 /nfs/dbraw/zinc/90/79/59/572907959.db2.gz RKUTUPVXZAVHGE-UHFFFAOYSA-N 0 0 188.267 1.655 10 0 ADAERN N[C@H](c1ccc(F)cc1)c1ncco1 75871901 572907960 /nfs/dbraw/zinc/90/79/60/572907960.db2.gz PQOBVRLPJFDHJN-SECBINFHSA-N 0 0 192.193 1.862 10 0 ADAERN O[C@H](c1ncco1)c1ccccc1F 75872767 572908026 /nfs/dbraw/zinc/90/80/26/572908026.db2.gz VSEKCOWAHOSJHJ-VIFPVBQESA-N 0 0 193.177 1.895 10 0 ADAERN Cc1coc(C(=O)c2ccncc2)n1 75870933 572908032 /nfs/dbraw/zinc/90/80/32/572908032.db2.gz INJIRWLWPBEOIX-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN C/C=C(/C(=O)[O-])C(C)(C)CC[NH3+] 116673770 572908065 /nfs/dbraw/zinc/90/80/65/572908065.db2.gz YCLFSFMVOZDYMN-DAXSKMNVSA-N 0 0 171.240 1.392 10 0 ADAERN CCONC(=O)N[C@@H]1C[C@H]1C1CC1 308184959 572908067 /nfs/dbraw/zinc/90/80/67/572908067.db2.gz INNGFHVAZXQIOL-JGVFFNPUSA-N 0 0 184.239 1.036 10 0 ADAERN CCc1nc(CCO)sc1C 75856917 572908077 /nfs/dbraw/zinc/90/80/77/572908077.db2.gz UOMUJCRHCJVWDR-UHFFFAOYSA-N 0 0 171.265 1.549 10 0 ADAERN C[C@H](CCO)C[C@H]1COC(C)(C)O1 308184194 572908083 /nfs/dbraw/zinc/90/80/83/572908083.db2.gz DYKOIQQCKZEXNB-BDAKNGLRSA-N 0 0 188.267 1.547 10 0 ADAERN CCONC(=O)N[C@H]1C[C@@H]1C1CC1 308184960 572908092 /nfs/dbraw/zinc/90/80/92/572908092.db2.gz INNGFHVAZXQIOL-SFYZADRCSA-N 0 0 184.239 1.036 10 0 ADAERN C[C@@H](O)[C@@H](C)OC1CCC1 50521380 572908101 /nfs/dbraw/zinc/90/81/01/572908101.db2.gz BAXKLMRJRKTANX-RNFRBKRXSA-N 0 0 144.214 1.325 10 0 ADAERN N[C@@H](c1ncco1)c1ccccc1F 75872542 572908124 /nfs/dbraw/zinc/90/81/24/572908124.db2.gz NHWNHSMXGJLGRK-SECBINFHSA-N 0 0 192.193 1.862 10 0 ADAERN CC(C)C(=O)COC[C@H]1CCOC1 86277153 572908127 /nfs/dbraw/zinc/90/81/27/572908127.db2.gz IGHVWVGTCZXZKR-VIFPVBQESA-N 0 0 186.251 1.265 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CC[C@@H](C(=O)[O-])C1 250508706 572908146 /nfs/dbraw/zinc/90/81/46/572908146.db2.gz OFELVAWLFHBCIW-BDAKNGLRSA-N 0 0 185.267 1.580 10 0 ADAERN CC(C)C(=O)CSc1nc[nH]n1 86277343 572908147 /nfs/dbraw/zinc/90/81/47/572908147.db2.gz ZPILZSFNZYBGQF-UHFFFAOYSA-N 0 0 185.252 1.122 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)n1ccc(C)n1 86296184 572908157 /nfs/dbraw/zinc/90/81/57/572908157.db2.gz DPQSPYXYUXJTSS-IUCAKERBSA-N 0 0 196.250 1.562 10 0 ADAERN C[C@H]([NH3+])CS[C@@H](C)[C@@H](C)C(=O)[O-] 86295252 572908176 /nfs/dbraw/zinc/90/81/76/572908176.db2.gz ZZUVWYCKCFPYJZ-XVMARJQXSA-N 0 0 191.296 1.176 10 0 ADAERN Nc1ccc2nc(CCO)sc2c1 75856912 572908177 /nfs/dbraw/zinc/90/81/77/572908177.db2.gz CMKYTNYPAPGQKD-UHFFFAOYSA-N 0 0 194.259 1.413 10 0 ADAERN CC(C)C(=O)CS[C@H](C)CCO 86277391 572908189 /nfs/dbraw/zinc/90/81/89/572908189.db2.gz IHJYXPUJRJOPQT-MRVPVSSYSA-N 0 0 190.308 1.716 10 0 ADAERN OC[C@@H]1C[C@H]1N(CC(F)F)C1CC1 308185002 572908190 /nfs/dbraw/zinc/90/81/90/572908190.db2.gz IONDKVFJAZBTGX-POYBYMJQSA-N 0 0 191.221 1.097 10 0 ADAERN CC[C@@H](OC1CCC1)C(N)=S 50520574 572908208 /nfs/dbraw/zinc/90/82/08/572908208.db2.gz BOXDDPMBBLSKPE-SSDOTTSWSA-N 0 0 173.281 1.620 10 0 ADAERN CC(C)C(=O)C[S@](=O)C(C)(C)C 86277593 572908212 /nfs/dbraw/zinc/90/82/12/572908212.db2.gz VSPPVPUTROXPHT-GFCCVEGCSA-N 0 0 190.308 1.759 10 0 ADAERN CCC(C)(C)[NH2+][C@@H](C)[C@H](C)C(=O)[O-] 86296981 572908219 /nfs/dbraw/zinc/90/82/19/572908219.db2.gz BOGVLNBQPFHRTH-YUMQZZPRSA-N 0 0 187.283 1.874 10 0 ADAERN CCS[C@H](C)[C@@H](C)C(=O)OC 86293547 572908244 /nfs/dbraw/zinc/90/82/44/572908244.db2.gz CWYDJRABLCYPBK-RNFRBKRXSA-N 0 0 176.281 1.937 10 0 ADAERN CCC/C=C\C[C@H](O)CO 199314445 572908249 /nfs/dbraw/zinc/90/82/49/572908249.db2.gz FIGMGKCSXFYHCL-LGYSABEFSA-N 0 0 144.214 1.086 10 0 ADAERN CC1(C)[C@@H]2CC[C@@](CO)(C2)[C@@H]1O 57348475 572908253 /nfs/dbraw/zinc/90/82/53/572908253.db2.gz SMTYTECRKAHAAP-MRTMQBJTSA-N 0 0 170.252 1.166 10 0 ADAERN CC[C@@H](O)[C@@H](C)OC1CCC1 50521222 572908257 /nfs/dbraw/zinc/90/82/57/572908257.db2.gz RYZJOOJREGLYEF-VXNVDRBHSA-N 0 0 158.241 1.715 10 0 ADAERN C/C=C\CCNC(=O)N(C)OCC 308183852 572908259 /nfs/dbraw/zinc/90/82/59/572908259.db2.gz ICCOMWUFGWVBFF-XQRVVYSFSA-N 0 0 186.255 1.546 10 0 ADAERN CC[C@H](OC1CCC1)C(N)=S 50520573 572908262 /nfs/dbraw/zinc/90/82/62/572908262.db2.gz BOXDDPMBBLSKPE-ZETCQYMHSA-N 0 0 173.281 1.620 10 0 ADAERN C=Cn1ccnc1C(=O)c1ccncc1 75870877 572908268 /nfs/dbraw/zinc/90/82/68/572908268.db2.gz UNWYHACFXJNVRI-UHFFFAOYSA-N 0 0 199.213 1.610 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)n1cc(C)cn1 86295773 572908270 /nfs/dbraw/zinc/90/82/70/572908270.db2.gz BJOQTRPSPURQBH-DTWKUNHWSA-N 0 0 196.250 1.562 10 0 ADAERN CCC(C)(C)[NH2+][C@H](C)[C@H](C)C(=O)[O-] 86296984 572908288 /nfs/dbraw/zinc/90/82/88/572908288.db2.gz BOGVLNBQPFHRTH-JGVFFNPUSA-N 0 0 187.283 1.874 10 0 ADAERN CC(C)[C@](C)(O)Cc1cnn(C)c1 50541490 572908291 /nfs/dbraw/zinc/90/82/91/572908291.db2.gz LUQZLKWPFPCDFF-SNVBAGLBSA-N 0 0 182.267 1.370 10 0 ADAERN C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H](C)C(=O)[O-] 86301090 572910779 /nfs/dbraw/zinc/91/07/79/572910779.db2.gz SUDGBQOLGKLBHT-GJMOJQLCSA-N 0 0 185.267 1.484 10 0 ADAERN OCc1cccnc1OC1CCC1 50520864 572908294 /nfs/dbraw/zinc/90/82/94/572908294.db2.gz KJXBCBWSKDIAQP-UHFFFAOYSA-N 0 0 179.219 1.505 10 0 ADAERN N[C@H](c1ncco1)c1ccccc1F 75872541 572909088 /nfs/dbraw/zinc/90/90/88/572909088.db2.gz NHWNHSMXGJLGRK-VIFPVBQESA-N 0 0 192.193 1.862 10 0 ADAERN Cc1ccc2oc(CCO)nc2c1 75864549 572908306 /nfs/dbraw/zinc/90/83/06/572908306.db2.gz GRSJKIMRRSGPOB-UHFFFAOYSA-N 0 0 177.203 1.671 10 0 ADAERN CCC[S@](=O)CC(=O)C(C)C 86277597 572908311 /nfs/dbraw/zinc/90/83/11/572908311.db2.gz SEBWEODDUHQKRN-LLVKDONJSA-N 0 0 176.281 1.370 10 0 ADAERN O[C@@H]1CCCC[C@H]1OC1CCC1 50521212 572908323 /nfs/dbraw/zinc/90/83/23/572908323.db2.gz BBHYTTXGKCFXEQ-NXEZZACHSA-N 0 0 170.252 1.859 10 0 ADAERN OCCc1nc2ccncc2s1 75856922 572908331 /nfs/dbraw/zinc/90/83/31/572908331.db2.gz BLERLHVUHMJROJ-UHFFFAOYSA-N 0 0 180.232 1.226 10 0 ADAERN CCOC(=O)C(=O)c1nc(C)c(C)o1 75865689 572908334 /nfs/dbraw/zinc/90/83/34/572908334.db2.gz YOLZYUYREZZGKP-UHFFFAOYSA-N 0 0 197.190 1.037 10 0 ADAERN Cc1ccc([C@@H](O)CON=O)cc1 308185125 572908341 /nfs/dbraw/zinc/90/83/41/572908341.db2.gz FFAMIXUIAMESSW-VIFPVBQESA-N 0 0 181.191 1.726 10 0 ADAERN CC(C)C(=O)CS(=O)(=O)C(C)C 86277476 572908343 /nfs/dbraw/zinc/90/83/43/572908343.db2.gz NFNICABIQHFGNW-UHFFFAOYSA-N 0 0 192.280 1.035 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)n1ccc(C)n1 86296188 572908351 /nfs/dbraw/zinc/90/83/51/572908351.db2.gz DPQSPYXYUXJTSS-DTWKUNHWSA-N 0 0 196.250 1.562 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)n1cc(C)cn1 86295764 572908358 /nfs/dbraw/zinc/90/83/58/572908358.db2.gz BJOQTRPSPURQBH-RKDXNWHRSA-N 0 0 196.250 1.562 10 0 ADAERN CCCS(=O)(=O)CC(=O)C(C)C 86277463 572908362 /nfs/dbraw/zinc/90/83/62/572908362.db2.gz BFUYBWIVVWMNHX-UHFFFAOYSA-N 0 0 192.280 1.036 10 0 ADAERN O=C(c1ccccc1)c1nccn1O 75870697 572908392 /nfs/dbraw/zinc/90/83/92/572908392.db2.gz MZAPLGUPGHESFB-UHFFFAOYSA-N 0 0 188.186 1.351 10 0 ADAERN C/C=C/CCNC(=O)N(C)OCC 308183850 572908394 /nfs/dbraw/zinc/90/83/94/572908394.db2.gz ICCOMWUFGWVBFF-GQCTYLIASA-N 0 0 186.255 1.546 10 0 ADAERN CC[C@@H](O)[C@H](C)OC1CCC1 50521224 572908402 /nfs/dbraw/zinc/90/84/02/572908402.db2.gz RYZJOOJREGLYEF-IONNQARKSA-N 0 0 158.241 1.715 10 0 ADAERN CC(C)C(=O)CO[C@H]1CCOC1 86277251 572908431 /nfs/dbraw/zinc/90/84/31/572908431.db2.gz IPNPTOBRPNRFDM-QMMMGPOBSA-N 0 0 172.224 1.017 10 0 ADAERN CN(C)c1ccc(CCO)c(F)c1 75856850 572908432 /nfs/dbraw/zinc/90/84/32/572908432.db2.gz KMAAJFVXFNIUOE-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN CC(C)C(=O)COC[C@H]1CCCO1 86277008 572908434 /nfs/dbraw/zinc/90/84/34/572908434.db2.gz ONLZDYVKWOXPLA-SECBINFHSA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)OCCOCC(=O)C(C)C 86277037 572908442 /nfs/dbraw/zinc/90/84/42/572908442.db2.gz UEHOHKACUZTSMY-UHFFFAOYSA-N 0 0 188.267 1.653 10 0 ADAERN CCCN(OC)c1cccnc1N 308184059 572908458 /nfs/dbraw/zinc/90/84/58/572908458.db2.gz IPFWPKDPCRPXGB-UHFFFAOYSA-N 0 0 181.239 1.442 10 0 ADAERN CN(C)c1ccc(F)c(CCO)c1 75856835 572908482 /nfs/dbraw/zinc/90/84/82/572908482.db2.gz GLJRVMBHQLOSDO-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN COC1=CO[C@H](C)[C@H]1CCCCO 308185244 572908488 /nfs/dbraw/zinc/90/84/88/572908488.db2.gz FORLCYVMNAUYDH-RKDXNWHRSA-N 0 0 186.251 1.672 10 0 ADAERN CC(C)(C)c1ncc(CCO)cn1 75856903 572908500 /nfs/dbraw/zinc/90/85/00/572908500.db2.gz BWLJVBSMYZSFDG-UHFFFAOYSA-N 0 0 180.251 1.309 10 0 ADAERN OCCc1ncc(-c2ccncc2)o1 75864547 572908511 /nfs/dbraw/zinc/90/85/11/572908511.db2.gz AIPLHMUMRFRFHV-UHFFFAOYSA-N 0 0 190.202 1.271 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)COC2=O 57348408 572908522 /nfs/dbraw/zinc/90/85/22/572908522.db2.gz DBRCQDHKXZLHJE-XCBNKYQSSA-N 0 0 168.236 1.986 10 0 ADAERN OC[C@@H]1C[C@@H]1N(CC(F)F)C1CC1 308185006 572908566 /nfs/dbraw/zinc/90/85/66/572908566.db2.gz IONDKVFJAZBTGX-XPUUQOCRSA-N 0 0 191.221 1.097 10 0 ADAERN CCOC(=O)[C@@H]1C[C@@H]1C(C)(C)CO 308185123 572908631 /nfs/dbraw/zinc/90/86/31/572908631.db2.gz FEOUHILTUOGRPL-SFYZADRCSA-N 0 0 186.251 1.204 10 0 ADAERN CCC[C@H](OC[C@H](C)OC)[C@@H](C)O 308185111 572908655 /nfs/dbraw/zinc/90/86/55/572908655.db2.gz FDVUQAKVLOXNKD-AEJSXWLSSA-N 0 0 190.283 1.587 10 0 ADAERN O[C@@H](c1ccccc1)c1nccn1O 75870484 572908658 /nfs/dbraw/zinc/90/86/58/572908658.db2.gz AGBBLFOHGGFAOG-VIFPVBQESA-N 0 0 190.202 1.202 10 0 ADAERN C[C@@H](CCO)C[C@H]1COC(C)(C)O1 308184196 572908679 /nfs/dbraw/zinc/90/86/79/572908679.db2.gz DYKOIQQCKZEXNB-IUCAKERBSA-N 0 0 188.267 1.547 10 0 ADAERN CC(C)[C@@H](C)[C@@H](NN)c1ccc[nH]1 308184426 572908712 /nfs/dbraw/zinc/90/87/12/572908712.db2.gz FBFGQYAOXFOSME-PSASIEDQSA-N 0 0 181.283 1.811 10 0 ADAERN O[C@@H](c1ccncc1)c1ncco1 75871294 572908772 /nfs/dbraw/zinc/90/87/72/572908772.db2.gz HEJGSNLOUSKWKG-QMMMGPOBSA-N 0 0 176.175 1.151 10 0 ADAERN CC(C)(C)n1nccc1CCO 75864511 572908799 /nfs/dbraw/zinc/90/87/99/572908799.db2.gz FSZHJNOYUSBGQZ-UHFFFAOYSA-N 0 0 168.240 1.173 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CC[C@@H](C(=O)[O-])C1 250508710 572908810 /nfs/dbraw/zinc/90/88/10/572908810.db2.gz OFELVAWLFHBCIW-RKDXNWHRSA-N 0 0 185.267 1.580 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)Nn1cccc1 86302706 572908813 /nfs/dbraw/zinc/90/88/13/572908813.db2.gz ASYQEKKXSHOGBW-RKDXNWHRSA-N 0 0 196.250 1.229 10 0 ADAERN CC[N@H+](C(C)C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306154 572908817 /nfs/dbraw/zinc/90/88/17/572908817.db2.gz MIEOIYJCKPTQIZ-BDAKNGLRSA-N 0 0 187.283 1.826 10 0 ADAERN CNC(=S)c1nc(C)c(C)o1 75856773 572908831 /nfs/dbraw/zinc/90/88/31/572908831.db2.gz XLGOUABXHVEHHL-UHFFFAOYSA-N 0 0 170.237 1.186 10 0 ADAERN C[C@@H](CCO)C[C@@H]1COC(C)(C)O1 308184195 572908835 /nfs/dbraw/zinc/90/88/35/572908835.db2.gz DYKOIQQCKZEXNB-DTWKUNHWSA-N 0 0 188.267 1.547 10 0 ADAERN CNC(=S)c1ncc2n1CCCC2 75856671 572908836 /nfs/dbraw/zinc/90/88/36/572908836.db2.gz CNCHQFLDGSEWLW-UHFFFAOYSA-N 0 0 195.291 1.114 10 0 ADAERN CC(C)[C@H](C)[C@@H](NN)c1ccc[nH]1 308184430 572908837 /nfs/dbraw/zinc/90/88/37/572908837.db2.gz FBFGQYAOXFOSME-WCBMZHEXSA-N 0 0 181.283 1.811 10 0 ADAERN Cn1ccnc1CC(=O)C(C)(C)C 57380536 572908841 /nfs/dbraw/zinc/90/88/41/572908841.db2.gz GNUKCOVGNAFTJJ-UHFFFAOYSA-N 0 0 180.251 1.578 10 0 ADAERN CCOC(=O)[C@H]1C[C@@H]1C(C)(C)CO 308185124 572908848 /nfs/dbraw/zinc/90/88/48/572908848.db2.gz FEOUHILTUOGRPL-YUMQZZPRSA-N 0 0 186.251 1.204 10 0 ADAERN OCCc1cc(F)ccc1O 75856855 572908872 /nfs/dbraw/zinc/90/88/72/572908872.db2.gz VVDTVJUTNQRKLS-UHFFFAOYSA-N 0 0 156.156 1.066 10 0 ADAERN CC[C@@H]1CCC[N@@H+]1[C@@H](C)[C@@H](C)C(=O)[O-] 86306679 572908914 /nfs/dbraw/zinc/90/89/14/572908914.db2.gz SJIBNHFOPBKASN-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H](CCO)C[C@@H]1COC(C)(C)O1 308184197 572908944 /nfs/dbraw/zinc/90/89/44/572908944.db2.gz DYKOIQQCKZEXNB-RKDXNWHRSA-N 0 0 188.267 1.547 10 0 ADAERN Cc1coc([C@@H](N)c2ccncc2)n1 75871659 572908986 /nfs/dbraw/zinc/90/89/86/572908986.db2.gz APBDJLZCJPEKQL-VIFPVBQESA-N 0 0 189.218 1.426 10 0 ADAERN COC1=CO[C@H](C)[C@@H]1CCCCO 308185241 572908991 /nfs/dbraw/zinc/90/89/91/572908991.db2.gz FORLCYVMNAUYDH-BDAKNGLRSA-N 0 0 186.251 1.672 10 0 ADAERN O[C@H](c1ccncc1)c1ncco1 75871295 572909011 /nfs/dbraw/zinc/90/90/11/572909011.db2.gz HEJGSNLOUSKWKG-MRVPVSSYSA-N 0 0 176.175 1.151 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CC[C@@H](CC(=O)[O-])C1 250493078 572909023 /nfs/dbraw/zinc/90/90/23/572909023.db2.gz HXHOHZWJNKXJTG-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]([NH2+][C@H]1CC=CCC1)[C@H](C)C(=O)[O-] 86302518 572909025 /nfs/dbraw/zinc/90/90/25/572909025.db2.gz LAZHRAJSRHSWHH-GUBZILKMSA-N 0 0 197.278 1.794 10 0 ADAERN CCC[C@@H](C)C(=O)c1cnn(C)n1 308184083 572909052 /nfs/dbraw/zinc/90/90/52/572909052.db2.gz IRQLJNGKNLNXEX-SSDOTTSWSA-N 0 0 181.239 1.434 10 0 ADAERN CCC[C@H](C)C(=O)c1ncnn1C 308184494 572909087 /nfs/dbraw/zinc/90/90/87/572909087.db2.gz DVVVSHXHOYQMJV-ZETCQYMHSA-N 0 0 181.239 1.434 10 0 ADAERN Cc1coc([C@H](O)c2ccncc2)n1 75871296 572909129 /nfs/dbraw/zinc/90/91/29/572909129.db2.gz UWHBZFYEYDUTME-SECBINFHSA-N 0 0 190.202 1.460 10 0 ADAERN CCn1cnc([C@H](NN)C(C)C)c1 308184061 572909130 /nfs/dbraw/zinc/90/91/30/572909130.db2.gz IPKWQMNXLGIHQR-SECBINFHSA-N 0 0 182.271 1.063 10 0 ADAERN CC[N@H+](CC1CC1)[C@H](C)[C@@H](C)C(=O)[O-] 86308000 572909137 /nfs/dbraw/zinc/90/91/37/572909137.db2.gz PTRICOUPVFYXCI-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN CNC(=S)c1ccsc1 75856501 572910800 /nfs/dbraw/zinc/91/08/00/572910800.db2.gz ARAIBVDPUADNSB-UHFFFAOYSA-N 0 0 157.263 1.643 10 0 ADAERN OCCc1nc2cc(O)ccc2s1 75856932 572909147 /nfs/dbraw/zinc/90/91/47/572909147.db2.gz KUUBZGNPCRBRDH-UHFFFAOYSA-N 0 0 195.243 1.537 10 0 ADAERN CC[N@@H+](C1CC1)[C@H](C)[C@@H](C)C(=O)[O-] 86306132 572909163 /nfs/dbraw/zinc/90/91/63/572909163.db2.gz CROBQJKXKIJOPO-HTQZYQBOSA-N 0 0 185.267 1.580 10 0 ADAERN CCOC(=O)[C@H]1C[C@H]1C(C)(C)CO 308185122 572909202 /nfs/dbraw/zinc/90/92/02/572909202.db2.gz FEOUHILTUOGRPL-JGVFFNPUSA-N 0 0 186.251 1.204 10 0 ADAERN COc1cccc(/C=C(/C)[C@H](C)O)n1 234895793 572909203 /nfs/dbraw/zinc/90/92/03/572909203.db2.gz CDHCQGYVNRARPR-FUOZMLNRSA-N 0 0 193.246 1.874 10 0 ADAERN C[N@H+](C1CC1)[C@H]1CC[C@@H](C(=O)[O-])C1 250492155 572909216 /nfs/dbraw/zinc/90/92/16/572909216.db2.gz YGGYSGGAXOMTQO-APPZFPTMSA-N 0 0 183.251 1.334 10 0 ADAERN OCCc1nc2ccc(O)cc2s1 75856910 572909257 /nfs/dbraw/zinc/90/92/57/572909257.db2.gz CTAUJUPZRFPKIW-UHFFFAOYSA-N 0 0 195.243 1.537 10 0 ADAERN COC1=CO[C@@H](C)[C@H]1CCCCO 308185242 572909261 /nfs/dbraw/zinc/90/92/61/572909261.db2.gz FORLCYVMNAUYDH-DTWKUNHWSA-N 0 0 186.251 1.672 10 0 ADAERN CC[C@@](F)(CO)C(=O)OC(C)(C)C 308184228 572909270 /nfs/dbraw/zinc/90/92/70/572909270.db2.gz DZUDUOBVPBBPAM-SECBINFHSA-N 0 0 192.230 1.439 10 0 ADAERN Nc1ccc(C(=O)c2ccncc2)cn1 75870789 572909272 /nfs/dbraw/zinc/90/92/72/572909272.db2.gz BTUBIEKISSGYDE-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@H+](C)C1CCCC1 86306183 572910805 /nfs/dbraw/zinc/91/08/05/572910805.db2.gz AZCUFNKYPWYPTL-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN CC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)C(=O)[O-] 86306130 572909285 /nfs/dbraw/zinc/90/92/85/572909285.db2.gz CROBQJKXKIJOPO-SFYZADRCSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@@H](NN)C1(COC)CCCC1 312958559 572909293 /nfs/dbraw/zinc/90/92/93/572909293.db2.gz XUHYDTZACHBSNG-SECBINFHSA-N 0 0 186.299 1.435 10 0 ADAERN CCC[N@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306215 572909300 /nfs/dbraw/zinc/90/93/00/572909300.db2.gz UHTWIPDWYCGPJR-SFYZADRCSA-N 0 0 173.256 1.437 10 0 ADAERN COc1cccc(/C=C(/C)[C@@H](C)O)n1 234895725 572909359 /nfs/dbraw/zinc/90/93/59/572909359.db2.gz CDHCQGYVNRARPR-UFGYOYAJSA-N 0 0 193.246 1.874 10 0 ADAERN OC[C@H]1C[C@@H]1N(CC(F)F)C1CC1 308185004 572909379 /nfs/dbraw/zinc/90/93/79/572909379.db2.gz IONDKVFJAZBTGX-SVRRBLITSA-N 0 0 191.221 1.097 10 0 ADAERN CNC(=S)c1ccnn1C(C)C 75856761 572909382 /nfs/dbraw/zinc/90/93/82/572909382.db2.gz ZBTLAJRHDWQFGB-UHFFFAOYSA-N 0 0 183.280 1.359 10 0 ADAERN CC(C)(C)n1ccnc1CCO 75856899 572909386 /nfs/dbraw/zinc/90/93/86/572909386.db2.gz JGSFQPUWQRYSLP-UHFFFAOYSA-N 0 0 168.240 1.173 10 0 ADAERN CCOC(=O)[C@@H]1C[C@H]1C(C)(C)CO 308185121 572909401 /nfs/dbraw/zinc/90/94/01/572909401.db2.gz FEOUHILTUOGRPL-HTQZYQBOSA-N 0 0 186.251 1.204 10 0 ADAERN OCCc1ccc2c(c1)CCCN2 75856863 572909407 /nfs/dbraw/zinc/90/94/07/572909407.db2.gz OOVUPMKDLSZOQY-UHFFFAOYSA-N 0 0 177.247 1.580 10 0 ADAERN CCONC(=O)N[C@@H]1C[C@@H]1C1CC1 308184958 572909410 /nfs/dbraw/zinc/90/94/10/572909410.db2.gz INNGFHVAZXQIOL-HTQZYQBOSA-N 0 0 184.239 1.036 10 0 ADAERN COc1ccc2oc(CCO)nc2c1 75864558 572909440 /nfs/dbraw/zinc/90/94/40/572909440.db2.gz VLACTPVQXMKZCI-UHFFFAOYSA-N 0 0 193.202 1.371 10 0 ADAERN CC(C)[C@@H](C)[C@H](NN)c1ccc[nH]1 308184428 572909444 /nfs/dbraw/zinc/90/94/44/572909444.db2.gz FBFGQYAOXFOSME-SCZZXKLOSA-N 0 0 181.283 1.811 10 0 ADAERN CC(C)(CC1CC[NH2+]CC1)C(=O)[O-] 200213695 572909464 /nfs/dbraw/zinc/90/94/64/572909464.db2.gz DYEUAKIFJJCKFT-UHFFFAOYSA-N 0 0 185.267 1.487 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@H+](C)CC1CC1 86306693 572909487 /nfs/dbraw/zinc/90/94/87/572909487.db2.gz AEGKMEOFVCTNCM-HTQZYQBOSA-N 0 0 185.267 1.437 10 0 ADAERN Cc1ccc(F)cc1OCCCON 75880866 572909495 /nfs/dbraw/zinc/90/94/95/572909495.db2.gz MCJGPZDUXXXYRD-UHFFFAOYSA-N 0 0 199.225 1.793 10 0 ADAERN N=C(NO)c1nc2c(s1)CCCC2 75848125 572909499 /nfs/dbraw/zinc/90/94/99/572909499.db2.gz MLLGXGTZNPIUKH-UHFFFAOYSA-N 0 0 197.263 1.326 10 0 ADAERN C[C@H]([NH2+][C@H]1CC=CCC1)[C@@H](C)C(=O)[O-] 86302519 572909506 /nfs/dbraw/zinc/90/95/06/572909506.db2.gz LAZHRAJSRHSWHH-UTLUCORTSA-N 0 0 197.278 1.794 10 0 ADAERN Cc1cc(CCO)c(O)cc1Cl 75856866 572909526 /nfs/dbraw/zinc/90/95/26/572909526.db2.gz WFBVCLODFUSBQF-UHFFFAOYSA-N 0 0 186.638 1.889 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@H+](C)C[C@H]1C[C@H]1C 86307987 572909549 /nfs/dbraw/zinc/90/95/49/572909549.db2.gz VAUZCTKWDHWBTP-DOLQZWNJSA-N 0 0 199.294 1.683 10 0 ADAERN CC(=O)Nc1ccc(CCO)cc1F 75864595 572909561 /nfs/dbraw/zinc/90/95/61/572909561.db2.gz XMZMHCLSRMNLFR-UHFFFAOYSA-N 0 0 197.209 1.319 10 0 ADAERN CCn1cnc([C@@H](NN)C(C)C)c1 308184062 572909566 /nfs/dbraw/zinc/90/95/66/572909566.db2.gz IPKWQMNXLGIHQR-VIFPVBQESA-N 0 0 182.271 1.063 10 0 ADAERN C[C@H]([NH2+]C1CCC1)[C@H](C)C(=O)[O-] 86301356 572909596 /nfs/dbraw/zinc/90/95/96/572909596.db2.gz KDGXUUHLGVTGLS-BQBZGAKWSA-N 0 0 171.240 1.238 10 0 ADAERN CC(C)[C@H](C)[C@H](NN)c1ccc[nH]1 308184432 572909600 /nfs/dbraw/zinc/90/96/00/572909600.db2.gz FBFGQYAOXFOSME-WPRPVWTQSA-N 0 0 181.283 1.811 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@H+](C)CC1CCC1 86307649 572909605 /nfs/dbraw/zinc/90/96/05/572909605.db2.gz OWJWSKNGOAQSQI-BDAKNGLRSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1n[nH]cc1[C@H](O)c1ccncc1 75871000 572909614 /nfs/dbraw/zinc/90/96/14/572909614.db2.gz PMYLRLPZIOOEAS-SNVBAGLBSA-N 0 0 189.218 1.195 10 0 ADAERN O=C(/C=C\C1CCC1)NCCCF 308184257 572909621 /nfs/dbraw/zinc/90/96/21/572909621.db2.gz IHXGHYRBLYRDDY-WAYWQWQTSA-N 0 0 185.242 1.819 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)Nn1cccc1 86302708 572909623 /nfs/dbraw/zinc/90/96/23/572909623.db2.gz ASYQEKKXSHOGBW-IUCAKERBSA-N 0 0 196.250 1.229 10 0 ADAERN CCc1nc(C(=N)NO)sc1C 75848134 572909651 /nfs/dbraw/zinc/90/96/51/572909651.db2.gz JOOGCCVQQHVELA-UHFFFAOYSA-N 0 0 185.252 1.318 10 0 ADAERN Cn1ncc2ccc(F)c(CCO)c21 75864481 572909653 /nfs/dbraw/zinc/90/96/53/572909653.db2.gz XKFPNHXIPFPAHW-UHFFFAOYSA-N 0 0 194.209 1.247 10 0 ADAERN CCONC(=O)N[C@H]1C[C@H]1C1CC1 308184962 572909666 /nfs/dbraw/zinc/90/96/66/572909666.db2.gz INNGFHVAZXQIOL-YUMQZZPRSA-N 0 0 184.239 1.036 10 0 ADAERN OCCc1nc2cnccc2s1 75856924 572909685 /nfs/dbraw/zinc/90/96/85/572909685.db2.gz RVYXROUARDCOCU-UHFFFAOYSA-N 0 0 180.232 1.226 10 0 ADAERN CCCC[N@H+](C)[C@H](C)[C@@H](C)C(=O)[O-] 86305938 572909690 /nfs/dbraw/zinc/90/96/90/572909690.db2.gz AZVHJKWDBSWYAX-RKDXNWHRSA-N 0 0 187.283 1.828 10 0 ADAERN CCOC(=O)C(=O)c1cccc(N)c1 75865308 572909706 /nfs/dbraw/zinc/90/97/06/572909706.db2.gz STFJWMSXFGJEIB-UHFFFAOYSA-N 0 0 193.202 1.015 10 0 ADAERN COC1=CO[C@@H](C)[C@@H]1CCCCO 308185243 572909717 /nfs/dbraw/zinc/90/97/17/572909717.db2.gz FORLCYVMNAUYDH-IUCAKERBSA-N 0 0 186.251 1.672 10 0 ADAERN COc1cccc(/C=C/CO)n1 234896772 572909782 /nfs/dbraw/zinc/90/97/82/572909782.db2.gz KAWCNCVJKPRHBC-HWKANZROSA-N 0 0 165.192 1.096 10 0 ADAERN OC[C@H]1C[C@H]1N(CC(F)F)C1CC1 308185000 572909783 /nfs/dbraw/zinc/90/97/83/572909783.db2.gz IONDKVFJAZBTGX-HTRCEHHLSA-N 0 0 191.221 1.097 10 0 ADAERN Cc1n[nH]cc1C(=O)c1ccccc1 75870636 572909796 /nfs/dbraw/zinc/90/97/96/572909796.db2.gz NPHMPIZGXCEOFT-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@H+](C)C1CCCC1 86306178 572909829 /nfs/dbraw/zinc/90/98/29/572909829.db2.gz AZCUFNKYPWYPTL-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN CCC[C@@H](C)C(=O)c1ncnn1C 308184493 572909846 /nfs/dbraw/zinc/90/98/46/572909846.db2.gz DVVVSHXHOYQMJV-SSDOTTSWSA-N 0 0 181.239 1.434 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@H+](C)C1CC1 86306145 572909859 /nfs/dbraw/zinc/90/98/59/572909859.db2.gz SYIDWZNQQOMBAY-RNFRBKRXSA-N 0 0 171.240 1.190 10 0 ADAERN O=CN/C=C/c1cccc2ncccc12 200215684 572909860 /nfs/dbraw/zinc/90/98/60/572909860.db2.gz AHZHKOMKTQEYFC-SOFGYWHQSA-N 0 0 198.225 1.952 10 0 ADAERN CNC(=S)c1ccnn1C1CC1 75856760 572909873 /nfs/dbraw/zinc/90/98/73/572909873.db2.gz RRHPZOIDNYATJV-UHFFFAOYSA-N 0 0 181.264 1.113 10 0 ADAERN CCOC(=O)C(=O)c1ncc(C)s1 75865460 572909880 /nfs/dbraw/zinc/90/98/80/572909880.db2.gz LTJFLFWMCLRLBQ-UHFFFAOYSA-N 0 0 199.231 1.197 10 0 ADAERN O[C@@H](c1ncco1)c1ccccc1F 75872768 572909890 /nfs/dbraw/zinc/90/98/90/572909890.db2.gz VSEKCOWAHOSJHJ-SECBINFHSA-N 0 0 193.177 1.895 10 0 ADAERN CCC[C@H](OC[C@H](C)OC)[C@H](C)O 308185113 572909913 /nfs/dbraw/zinc/90/99/13/572909913.db2.gz FDVUQAKVLOXNKD-GUBZILKMSA-N 0 0 190.283 1.587 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CC[C@@H](CC(=O)[O-])C1 250493074 572909918 /nfs/dbraw/zinc/90/99/18/572909918.db2.gz HXHOHZWJNKXJTG-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN CC(=O)c1cc(F)cc(CCO)c1 75856886 572909930 /nfs/dbraw/zinc/90/99/30/572909930.db2.gz CNOUPUOEOIMZPH-UHFFFAOYSA-N 0 0 182.194 1.563 10 0 ADAERN C[C@H]([NH2+][C@@H]1CC1(C)C)[C@H](C)C(=O)[O-] 86301088 572910841 /nfs/dbraw/zinc/91/08/41/572910841.db2.gz SUDGBQOLGKLBHT-BIIVOSGPSA-N 0 0 185.267 1.484 10 0 ADAERN O=C(/C=C/C1CCC1)NCCCF 308184256 572909967 /nfs/dbraw/zinc/90/99/67/572909967.db2.gz IHXGHYRBLYRDDY-AATRIKPKSA-N 0 0 185.242 1.819 10 0 ADAERN CCOC(=O)C(=O)c1cccc(O)c1 75865312 572909988 /nfs/dbraw/zinc/90/99/88/572909988.db2.gz IEDRPVRRHCUNEN-UHFFFAOYSA-N 0 0 194.186 1.138 10 0 ADAERN CNC(=S)c1cccc(OC)c1 75856519 572910844 /nfs/dbraw/zinc/91/08/44/572910844.db2.gz XFRDRCWHWWGLJA-UHFFFAOYSA-N 0 0 181.260 1.590 10 0 ADAERN OCCc1nc2cccnc2s1 75856923 572910044 /nfs/dbraw/zinc/91/00/44/572910044.db2.gz ZBNUEVLGEUMHLB-UHFFFAOYSA-N 0 0 180.232 1.226 10 0 ADAERN CCOCC(=O)c1cc(C)cc(N)c1 308184455 572910084 /nfs/dbraw/zinc/91/00/84/572910084.db2.gz DUKMAYUVFFRAQI-UHFFFAOYSA-N 0 0 193.246 1.796 10 0 ADAERN CC(C)[N@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86305865 572910090 /nfs/dbraw/zinc/91/00/90/572910090.db2.gz USHWPZBWIYURIB-SFYZADRCSA-N 0 0 173.256 1.436 10 0 ADAERN COC(=O)/C=C/C=C\[C@H](C)[C@H](C)O 308185184 572910093 /nfs/dbraw/zinc/91/00/93/572910093.db2.gz FKWSTHXOBUJDED-PUBSCXQISA-N 0 0 184.235 1.289 10 0 ADAERN CCC[C@H](C)C(=O)c1cnn(C)n1 308184084 572910102 /nfs/dbraw/zinc/91/01/02/572910102.db2.gz IRQLJNGKNLNXEX-ZETCQYMHSA-N 0 0 181.239 1.434 10 0 ADAERN CC[NH+](CC)[C@@H](C)[C@H](C)C(=O)[O-] 86305772 572910126 /nfs/dbraw/zinc/91/01/26/572910126.db2.gz QTWCYUBCAGRQLV-YUMQZZPRSA-N 0 0 173.256 1.437 10 0 ADAERN CC[N@H+](CC1CC1)[C@@H](C)[C@@H](C)C(=O)[O-] 86307998 572910130 /nfs/dbraw/zinc/91/01/30/572910130.db2.gz PTRICOUPVFYXCI-BDAKNGLRSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@H+](C)C1CCCC1 86306181 572910136 /nfs/dbraw/zinc/91/01/36/572910136.db2.gz AZCUFNKYPWYPTL-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN OCCc1nc2c(s1)CCCC2 75856909 572910159 /nfs/dbraw/zinc/91/01/59/572910159.db2.gz PEIMVXHIPQNWKN-UHFFFAOYSA-N 0 0 183.276 1.557 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@H+](C)CC1CCC1 86307647 572910189 /nfs/dbraw/zinc/91/01/89/572910189.db2.gz OWJWSKNGOAQSQI-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN CCC[N@@H+](C1CC1)[C@@H](C)[C@@H](C)C(=O)[O-] 86306207 572910213 /nfs/dbraw/zinc/91/02/13/572910213.db2.gz YIKSFLMGGJOKQP-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@H+](C)CC1CCC1 86307644 572910242 /nfs/dbraw/zinc/91/02/42/572910242.db2.gz OWJWSKNGOAQSQI-DTWKUNHWSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@H+](C)C1CC1 86306146 572910245 /nfs/dbraw/zinc/91/02/45/572910245.db2.gz SYIDWZNQQOMBAY-BQBZGAKWSA-N 0 0 171.240 1.190 10 0 ADAERN Cc1n[nH]cc1[C@@H](O)c1ccncc1 75871001 572910283 /nfs/dbraw/zinc/91/02/83/572910283.db2.gz PMYLRLPZIOOEAS-JTQLQIEISA-N 0 0 189.218 1.195 10 0 ADAERN CC(C)(C)c1ncc(C(=N)NO)cn1 75848118 572910287 /nfs/dbraw/zinc/91/02/87/572910287.db2.gz QEDDVZOWQYTCGB-UHFFFAOYSA-N 0 0 194.238 1.078 10 0 ADAERN CC[NH+](CC)[C@H](C)[C@H](C)C(=O)[O-] 86305774 572910292 /nfs/dbraw/zinc/91/02/92/572910292.db2.gz QTWCYUBCAGRQLV-JGVFFNPUSA-N 0 0 173.256 1.437 10 0 ADAERN CN(C)c1cccc(CCO)c1F 75856836 572910296 /nfs/dbraw/zinc/91/02/96/572910296.db2.gz QZLKMKRFPZNVQB-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN N[C@@H](c1ccc(F)cc1)c1ncco1 75871900 572910297 /nfs/dbraw/zinc/91/02/97/572910297.db2.gz PQOBVRLPJFDHJN-VIFPVBQESA-N 0 0 192.193 1.862 10 0 ADAERN C[C@H]([NH2+]C1CCC1)[C@@H](C)C(=O)[O-] 86301358 572910313 /nfs/dbraw/zinc/91/03/13/572910313.db2.gz KDGXUUHLGVTGLS-RQJHMYQMSA-N 0 0 171.240 1.238 10 0 ADAERN CC(C)[N@H+](C)[C@H](C)[C@@H](C)C(=O)[O-] 86305867 572910323 /nfs/dbraw/zinc/91/03/23/572910323.db2.gz USHWPZBWIYURIB-HTQZYQBOSA-N 0 0 173.256 1.436 10 0 ADAERN CCCC[N@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86305936 572910341 /nfs/dbraw/zinc/91/03/41/572910341.db2.gz AZVHJKWDBSWYAX-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN CCCC[C@@]1(OC=O)CCC[C@H]1O 308185553 572910347 /nfs/dbraw/zinc/91/03/47/572910347.db2.gz FIBNGUBPKCMLLV-NXEZZACHSA-N 0 0 186.251 1.633 10 0 ADAERN CC(C)C[N@H+](C)[C@H](C)[C@@H](C)C(=O)[O-] 86306226 572910348 /nfs/dbraw/zinc/91/03/48/572910348.db2.gz LBJMDTDAJPASBV-RKDXNWHRSA-N 0 0 187.283 1.683 10 0 ADAERN O=C(OCc1ccccn1)C(F)F 308181638 572910355 /nfs/dbraw/zinc/91/03/55/572910355.db2.gz GUWNWIZGVLOIDJ-UHFFFAOYSA-N 0 0 187.145 1.390 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)Nn1cccc1 86302704 572910367 /nfs/dbraw/zinc/91/03/67/572910367.db2.gz ASYQEKKXSHOGBW-DTWKUNHWSA-N 0 0 196.250 1.229 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@H+](C)C1CCCC1 86306179 572910865 /nfs/dbraw/zinc/91/08/65/572910865.db2.gz AZCUFNKYPWYPTL-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN CCC(C)(CC)OC(=O)[C@H](C)CO 308182378 572910381 /nfs/dbraw/zinc/91/03/81/572910381.db2.gz DGPSAYLPYKIKSG-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@H+](C)CC1CCC1 86307645 572910397 /nfs/dbraw/zinc/91/03/97/572910397.db2.gz OWJWSKNGOAQSQI-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN CCOC1=CC[C@H](C(=O)OC)CC1 308185585 572910409 /nfs/dbraw/zinc/91/04/09/572910409.db2.gz FJGXNCRCCDQUOV-QMMMGPOBSA-N 0 0 184.235 1.880 10 0 ADAERN CCC[N@H+](C)[C@H](C)[C@@H](C)C(=O)[O-] 86306216 572910477 /nfs/dbraw/zinc/91/04/77/572910477.db2.gz UHTWIPDWYCGPJR-HTQZYQBOSA-N 0 0 173.256 1.437 10 0 ADAERN CCOCCN1CCC(=O)[C@@H](C)[C@@H]1C 86303723 572910488 /nfs/dbraw/zinc/91/04/88/572910488.db2.gz DENVTOFDTMMZBZ-UWVGGRQHSA-N 0 0 199.294 1.322 10 0 ADAERN CNC(=S)c1c(F)cccc1OC 75856473 572910526 /nfs/dbraw/zinc/91/05/26/572910526.db2.gz SVBZBVKMUPPRQO-UHFFFAOYSA-N 0 0 199.250 1.729 10 0 ADAERN CNC(=S)c1cc(N)ccc1C 75856517 572910530 /nfs/dbraw/zinc/91/05/30/572910530.db2.gz VTGOFQDZRAIFDR-UHFFFAOYSA-N 0 0 180.276 1.472 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@H+](C)CC1CC1 86306699 572910540 /nfs/dbraw/zinc/91/05/40/572910540.db2.gz AEGKMEOFVCTNCM-SFYZADRCSA-N 0 0 185.267 1.437 10 0 ADAERN OC[C@@H]1C[C@H]1N[C@@H](C(F)F)C1CC1 308181646 572910584 /nfs/dbraw/zinc/91/05/84/572910584.db2.gz GVCARKJMOMXTJF-XLPZGREQSA-N 0 0 191.221 1.001 10 0 ADAERN C/C=C\[C@H](O)[C@@H]1[C@H](O)[C@@H]2CCC[C@@H]12 308182222 572910591 /nfs/dbraw/zinc/91/05/91/572910591.db2.gz CYEIWVNYXZAALB-OLXHGDQRSA-N 0 0 182.263 1.330 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@H+](C)C1CC1 86306144 572910629 /nfs/dbraw/zinc/91/06/29/572910629.db2.gz SYIDWZNQQOMBAY-NKWVEPMBSA-N 0 0 171.240 1.190 10 0 ADAERN C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H](C)C(=O)[O-] 86301367 572910742 /nfs/dbraw/zinc/91/07/42/572910742.db2.gz GCPJZZWNEGGLNI-NGJRWZKOSA-N 0 0 171.240 1.094 10 0 ADAERN O=C(OCCCF)C1CC(F)(F)C1 308181625 572910690 /nfs/dbraw/zinc/91/06/90/572910690.db2.gz GUHFDRPOBLPXCQ-UHFFFAOYSA-N 0 0 196.168 1.935 10 0 ADAERN O=C1CC[C@@H]2CC=CCC[C@@H](O)[C@H]12 308185688 572910703 /nfs/dbraw/zinc/91/07/03/572910703.db2.gz FRSPQJNJNCLQGW-IQJOONFLSA-N 0 0 180.247 1.683 10 0 ADAERN C/C=C\[C@H](O)[C@@H]1C(=O)[C@@H]2CCC[C@H]21 308182772 572910886 /nfs/dbraw/zinc/91/08/86/572910886.db2.gz DDADATSGPJINAI-XKTQTOEVSA-N 0 0 180.247 1.539 10 0 ADAERN Cc1ccc(N)c(-c2cc(N)n[nH]2)c1 75879921 572910930 /nfs/dbraw/zinc/91/09/30/572910930.db2.gz GAPNVADLCJBATR-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN CC(C)=C(F)C(=O)N[C@@H](C)CCO 308181675 572910933 /nfs/dbraw/zinc/91/09/33/572910933.db2.gz GWSVOWWHJQJHSH-ZETCQYMHSA-N 0 0 189.230 1.137 10 0 ADAERN CC[NH+](CC)[C@@H](C)[C@@H](C)C(=O)[O-] 86305767 572910956 /nfs/dbraw/zinc/91/09/56/572910956.db2.gz QTWCYUBCAGRQLV-SFYZADRCSA-N 0 0 173.256 1.437 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[NH2+]C1CCC1 86301353 572910963 /nfs/dbraw/zinc/91/09/63/572910963.db2.gz KDGXUUHLGVTGLS-NKWVEPMBSA-N 0 0 171.240 1.238 10 0 ADAERN CO[C@H]1CCCc2c(N)n[nH]c21 75903897 572910967 /nfs/dbraw/zinc/91/09/67/572910967.db2.gz IFBQNWOHUQPWGP-LURJTMIESA-N 0 0 167.212 1.016 10 0 ADAERN O=C(/C=C\C1CCC1)N1CCCO1 308182172 572910972 /nfs/dbraw/zinc/91/09/72/572910972.db2.gz HCPFNWZQAMLSTP-WAYWQWQTSA-N 0 0 181.235 1.507 10 0 ADAERN Cc1ccc(N)cc1-c1cc(N)n[nH]1 75879923 572910987 /nfs/dbraw/zinc/91/09/87/572910987.db2.gz GMUUKWKCKBUUNH-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN CS[C@H](C)C(=O)Oc1cccnc1 308182640 572910998 /nfs/dbraw/zinc/91/09/98/572910998.db2.gz HIXXDSLOLRDDMB-SSDOTTSWSA-N 0 0 197.259 1.739 10 0 ADAERN CNC(=S)c1ccc(F)cc1 75856511 572911004 /nfs/dbraw/zinc/91/10/04/572911004.db2.gz DWLUJEBVNXIVSS-UHFFFAOYSA-N 0 0 169.224 1.721 10 0 ADAERN NOCCOc1cc(F)ccc1F 75880785 572911009 /nfs/dbraw/zinc/91/10/09/572911009.db2.gz MSGRGFDGHDPZEX-UHFFFAOYSA-N 0 0 189.161 1.234 10 0 ADAERN Cc1nc(-c2cc(N)n[nH]2)n(C)c1C 75880091 572911023 /nfs/dbraw/zinc/91/10/23/572911023.db2.gz HOACHHBIKFFZMO-UHFFFAOYSA-N 0 0 191.238 1.009 10 0 ADAERN CCOC1=CC[C@@H](C(=O)OC)CC1 308185584 572911046 /nfs/dbraw/zinc/91/10/46/572911046.db2.gz FJGXNCRCCDQUOV-MRVPVSSYSA-N 0 0 184.235 1.880 10 0 ADAERN CCC[N@@H+](C1CC1)[C@H](C)[C@@H](C)C(=O)[O-] 86306209 572911047 /nfs/dbraw/zinc/91/10/47/572911047.db2.gz YIKSFLMGGJOKQP-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN CC[N@H+](C(C)C)[C@H](C)[C@@H](C)C(=O)[O-] 86306156 572911054 /nfs/dbraw/zinc/91/10/54/572911054.db2.gz MIEOIYJCKPTQIZ-RKDXNWHRSA-N 0 0 187.283 1.826 10 0 ADAERN Nc1cc(-c2ccnn2C2CC2)[nH]n1 75880210 572911061 /nfs/dbraw/zinc/91/10/61/572911061.db2.gz RGDAGNOFCVWHHM-UHFFFAOYSA-N 0 0 189.222 1.190 10 0 ADAERN CC(C)n1nccc1-c1cc(N)n[nH]1 75880211 572911065 /nfs/dbraw/zinc/91/10/65/572911065.db2.gz PUMMGCCMUGULDD-UHFFFAOYSA-N 0 0 191.238 1.436 10 0 ADAERN COCC[C@@H](C)C(=O)c1cn[nH]c1 308185715 572911068 /nfs/dbraw/zinc/91/10/68/572911068.db2.gz FTFJBSMJGZJPBX-SSDOTTSWSA-N 0 0 182.223 1.265 10 0 ADAERN CO[C@@H]1CCCc2c(N)n[nH]c21 75903896 572911120 /nfs/dbraw/zinc/91/11/20/572911120.db2.gz IFBQNWOHUQPWGP-ZCFIWIBFSA-N 0 0 167.212 1.016 10 0 ADAERN CCC[C@H](C)[C@H](NN)c1cn[nH]c1 308185565 572911152 /nfs/dbraw/zinc/91/11/52/572911152.db2.gz FIFPURNFZABZFT-CBAPKCEASA-N 0 0 182.271 1.350 10 0 ADAERN CCC[N@H+](CC)[C@H](C)[C@@H](C)C(=O)[O-] 86306192 572911154 /nfs/dbraw/zinc/91/11/54/572911154.db2.gz MPFIPECOONGZCX-RKDXNWHRSA-N 0 0 187.283 1.828 10 0 ADAERN CNC(=S)c1cccc(F)c1F 75856466 572911197 /nfs/dbraw/zinc/91/11/97/572911197.db2.gz PLOUVVRDUGUOKT-UHFFFAOYSA-N 0 0 187.214 1.860 10 0 ADAERN CNC(=S)c1nccn1C(C)(C)C 75856612 572911388 /nfs/dbraw/zinc/91/13/88/572911388.db2.gz JMNGSDJHNDRSIS-UHFFFAOYSA-N 0 0 197.307 1.533 10 0 ADAERN CNC(=S)c1ccccc1OC 75856520 572911221 /nfs/dbraw/zinc/91/12/21/572911221.db2.gz MFWTVRZVWNDBJC-UHFFFAOYSA-N 0 0 181.260 1.590 10 0 ADAERN CNC(=S)c1ccc(OC)c(F)c1 75856540 572911223 /nfs/dbraw/zinc/91/12/23/572911223.db2.gz OJMPSIKMGLQATR-UHFFFAOYSA-N 0 0 199.250 1.729 10 0 ADAERN CC[NH+](CC)[C@H](C)[C@@H](C)C(=O)[O-] 86305769 572911234 /nfs/dbraw/zinc/91/12/34/572911234.db2.gz QTWCYUBCAGRQLV-HTQZYQBOSA-N 0 0 173.256 1.437 10 0 ADAERN CNC(=S)c1cc(OC)ccc1F 75856470 572911246 /nfs/dbraw/zinc/91/12/46/572911246.db2.gz FFLYFBGESJSHGG-UHFFFAOYSA-N 0 0 199.250 1.729 10 0 ADAERN CC(C)C[N@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306224 572911256 /nfs/dbraw/zinc/91/12/56/572911256.db2.gz LBJMDTDAJPASBV-BDAKNGLRSA-N 0 0 187.283 1.683 10 0 ADAERN CNC(=S)c1ccc(N)cc1OC 75856537 572911391 /nfs/dbraw/zinc/91/13/91/572911391.db2.gz VGXGPHYPEAKZRR-UHFFFAOYSA-N 0 0 196.275 1.172 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@H+](C)C1CC1 86306149 572911280 /nfs/dbraw/zinc/91/12/80/572911280.db2.gz SYIDWZNQQOMBAY-RQJHMYQMSA-N 0 0 171.240 1.190 10 0 ADAERN CNC(=S)c1ccc(F)cc1F 75856468 572911306 /nfs/dbraw/zinc/91/13/06/572911306.db2.gz SEQAIVIXXSMZFP-UHFFFAOYSA-N 0 0 187.214 1.860 10 0 ADAERN CCC[N@H+](CC)[C@@H](C)[C@@H](C)C(=O)[O-] 86306189 572911308 /nfs/dbraw/zinc/91/13/08/572911308.db2.gz MPFIPECOONGZCX-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN CNC(=S)c1cc(F)ccc1F 75856467 572911315 /nfs/dbraw/zinc/91/13/15/572911315.db2.gz PUYMCFBJOSTBIQ-UHFFFAOYSA-N 0 0 187.214 1.860 10 0 ADAERN Nc1cc(-c2ncc3ccccn23)[nH]n1 75880096 572911318 /nfs/dbraw/zinc/91/13/18/572911318.db2.gz BLGPPSKUOIGSQC-UHFFFAOYSA-N 0 0 199.217 1.307 10 0 ADAERN O=C1CC[C@@H]2CC=CCC[C@H](O)[C@@H]12 308185690 572911335 /nfs/dbraw/zinc/91/13/35/572911335.db2.gz FRSPQJNJNCLQGW-QXEWZRGKSA-N 0 0 180.247 1.683 10 0 ADAERN CNC(=S)c1nc2ncccc2o1 75856614 572911347 /nfs/dbraw/zinc/91/13/47/572911347.db2.gz MXGQWRKLDOZLTE-UHFFFAOYSA-N 0 0 193.231 1.118 10 0 ADAERN CNC(=S)c1cc(F)cc(F)c1 75856528 572911352 /nfs/dbraw/zinc/91/13/52/572911352.db2.gz UZQAUBDXSQCLHA-UHFFFAOYSA-N 0 0 187.214 1.860 10 0 ADAERN C[C@@H](O)C/C=C\C(=O)OC(C)(C)C 96347654 572911366 /nfs/dbraw/zinc/91/13/66/572911366.db2.gz KSGLIGJJMLXKID-GRKOMRHMSA-N 0 0 186.251 1.655 10 0 ADAERN CNC(=S)c1ccc(O)cc1F 75856525 572911384 /nfs/dbraw/zinc/91/13/84/572911384.db2.gz KURARMUVWKHRNF-UHFFFAOYSA-N 0 0 185.223 1.426 10 0 ADAERN CCO[C@@H](CC)OC 96347108 572911399 /nfs/dbraw/zinc/91/13/99/572911399.db2.gz CBQQIJZTSICUJL-LURJTMIESA-N 0 0 118.176 1.405 10 0 ADAERN CNC(=S)c1c(F)cccc1F 75856469 572911421 /nfs/dbraw/zinc/91/14/21/572911421.db2.gz WYEBVZMDHJJTIF-UHFFFAOYSA-N 0 0 187.214 1.860 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@H+](C)CC1CC1 86306691 572911439 /nfs/dbraw/zinc/91/14/39/572911439.db2.gz AEGKMEOFVCTNCM-JGVFFNPUSA-N 0 0 185.267 1.437 10 0 ADAERN Nc1cc(-c2nccn2C2CC2)[nH]n1 75880026 572911440 /nfs/dbraw/zinc/91/14/40/572911440.db2.gz HOFJXUFZBDSTBV-UHFFFAOYSA-N 0 0 189.222 1.190 10 0 ADAERN C[C@@H]([NH2+]C1CCC1)[C@@H](C)C(=O)[O-] 86301355 572911445 /nfs/dbraw/zinc/91/14/45/572911445.db2.gz KDGXUUHLGVTGLS-RNFRBKRXSA-N 0 0 171.240 1.238 10 0 ADAERN CC(C)n1ccnc1-c1cc(N)n[nH]1 75880131 572911457 /nfs/dbraw/zinc/91/14/57/572911457.db2.gz BZADZFMFWODXKS-UHFFFAOYSA-N 0 0 191.238 1.436 10 0 ADAERN COCCCCC(=O)C[C@H](C)OC 308185592 572911482 /nfs/dbraw/zinc/91/14/82/572911482.db2.gz FKAMLVHOWDAOJK-VIFPVBQESA-N 0 0 188.267 1.797 10 0 ADAERN CC[C@@](C)(O)C(=O)CCCCOC 308185539 572911488 /nfs/dbraw/zinc/91/14/88/572911488.db2.gz FHDMIRLLBKRMBY-SNVBAGLBSA-N 0 0 188.267 1.533 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)Nn1cccc1 86302709 572911489 /nfs/dbraw/zinc/91/14/89/572911489.db2.gz ASYQEKKXSHOGBW-BDAKNGLRSA-N 0 0 196.250 1.229 10 0 ADAERN CNC(=S)c1cc(F)ccc1OC 75856539 572911576 /nfs/dbraw/zinc/91/15/76/572911576.db2.gz PRDLAXKMXQNCRG-UHFFFAOYSA-N 0 0 199.250 1.729 10 0 ADAERN CCCC[C@]1(OC=O)CCC[C@@H]1O 308185554 572911492 /nfs/dbraw/zinc/91/14/92/572911492.db2.gz FIBNGUBPKCMLLV-UWVGGRQHSA-N 0 0 186.251 1.633 10 0 ADAERN Nc1cc(-c2ccc(N)c(F)c2)[nH]n1 75879930 572911517 /nfs/dbraw/zinc/91/15/17/572911517.db2.gz QYYFJFOKYCMYGD-UHFFFAOYSA-N 0 0 192.197 1.380 10 0 ADAERN CCO[C@H](CC)OC 96347109 572911521 /nfs/dbraw/zinc/91/15/21/572911521.db2.gz CBQQIJZTSICUJL-ZCFIWIBFSA-N 0 0 118.176 1.405 10 0 ADAERN Cc1ccc(F)cc1OCCON 75880816 572911530 /nfs/dbraw/zinc/91/15/30/572911530.db2.gz OKKIYUNKLUUGBZ-UHFFFAOYSA-N 0 0 185.198 1.403 10 0 ADAERN CC[C@H](OC)c1nc(C(C)=O)c[nH]1 308185757 572911531 /nfs/dbraw/zinc/91/15/31/572911531.db2.gz JMNBXOVBWGVJAV-QMMMGPOBSA-N 0 0 182.223 1.710 10 0 ADAERN CNC(=S)c1cccc(OC)c1F 75856471 572911532 /nfs/dbraw/zinc/91/15/32/572911532.db2.gz AQJWJIYRPBGNJT-UHFFFAOYSA-N 0 0 199.250 1.729 10 0 ADAERN CNC(=S)c1ncc(C)s1 75856625 572911533 /nfs/dbraw/zinc/91/15/33/572911533.db2.gz JZFQXZHURILZLP-UHFFFAOYSA-N 0 0 172.278 1.346 10 0 ADAERN CNC(=S)c1ccc(C)cn1 75856622 572911539 /nfs/dbraw/zinc/91/15/39/572911539.db2.gz AIBJXBOFVSUWMD-UHFFFAOYSA-N 0 0 166.249 1.285 10 0 ADAERN OC[C@@H]1C[C@H]1N[C@H](C(F)F)C1CC1 308181645 572911548 /nfs/dbraw/zinc/91/15/48/572911548.db2.gz GVCARKJMOMXTJF-RNJXMRFFSA-N 0 0 191.221 1.001 10 0 ADAERN CNC(=S)c1nc(C)cs1 75856623 572911557 /nfs/dbraw/zinc/91/15/57/572911557.db2.gz YBUREDQRFJIPRY-UHFFFAOYSA-N 0 0 172.278 1.346 10 0 ADAERN CNC(=S)c1ccc(F)c(F)c1 75856529 572911563 /nfs/dbraw/zinc/91/15/63/572911563.db2.gz KJTRIPWUWYZVSG-UHFFFAOYSA-N 0 0 187.214 1.860 10 0 ADAERN CNC(=S)c1cccc(F)c1 75856512 572911573 /nfs/dbraw/zinc/91/15/73/572911573.db2.gz CKISKKOWTLCXAB-UHFFFAOYSA-N 0 0 169.224 1.721 10 0 ADAERN CCCCCC[C@@H](O)[C@H](O)C(C)=O 308182218 572911574 /nfs/dbraw/zinc/91/15/74/572911574.db2.gz CYBXDGPSOBHIOI-NXEZZACHSA-N 0 0 188.267 1.268 10 0 ADAERN CNC(=S)c1cc(F)ccc1O 75856524 572911581 /nfs/dbraw/zinc/91/15/81/572911581.db2.gz XFNKGIFUGRPNNZ-UHFFFAOYSA-N 0 0 185.223 1.426 10 0 ADAERN CNC(=S)c1cc(C)ccc1OC 75856536 572911616 /nfs/dbraw/zinc/91/16/16/572911616.db2.gz RDFZQCQLYAILFK-UHFFFAOYSA-N 0 0 195.287 1.899 10 0 ADAERN NOCCOc1c(F)cccc1F 75880781 572911618 /nfs/dbraw/zinc/91/16/18/572911618.db2.gz TVMTTZGORGARBG-UHFFFAOYSA-N 0 0 189.161 1.234 10 0 ADAERN CNC(=S)c1ccccc1N(C)C 75856534 572911626 /nfs/dbraw/zinc/91/16/26/572911626.db2.gz USSOLNDQWUCYIV-UHFFFAOYSA-N 0 0 194.303 1.648 10 0 ADAERN Cc1nc(-c2cc(N)n[nH]2)oc1C 75880232 572911628 /nfs/dbraw/zinc/91/16/28/572911628.db2.gz KHKDLIWWTLCJAA-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN CCO[C@H](C)c1nc(C(C)=O)c[nH]1 308181988 572911641 /nfs/dbraw/zinc/91/16/41/572911641.db2.gz HTVPTXGOAMCVAV-SSDOTTSWSA-N 0 0 182.223 1.710 10 0 ADAERN CNC(=S)c1ccc(N)cc1 75856505 572911687 /nfs/dbraw/zinc/91/16/87/572911687.db2.gz RNLSRMLNJADKJW-UHFFFAOYSA-N 0 0 166.249 1.164 10 0 ADAERN CCCc1c(CC2CC2)nn(C)c1N 86314592 572911693 /nfs/dbraw/zinc/91/16/93/572911693.db2.gz PYCZOTLPQGFPOA-UHFFFAOYSA-N 0 0 193.294 1.907 10 0 ADAERN COCC[C@H](C)C(=O)c1cn[nH]c1 308185716 572911703 /nfs/dbraw/zinc/91/17/03/572911703.db2.gz FTFJBSMJGZJPBX-ZETCQYMHSA-N 0 0 182.223 1.265 10 0 ADAERN CNC(=S)c1ccc(OC)cc1N 75856538 572911722 /nfs/dbraw/zinc/91/17/22/572911722.db2.gz CUXIEYBSLQOJOL-UHFFFAOYSA-N 0 0 196.275 1.172 10 0 ADAERN CCCC[C@@]1(OC=O)CCC[C@@H]1O 308185555 572911727 /nfs/dbraw/zinc/91/17/27/572911727.db2.gz FIBNGUBPKCMLLV-VHSXEESVSA-N 0 0 186.251 1.633 10 0 ADAERN CNC(=S)c1nc(C)c(C)s1 75856624 572911738 /nfs/dbraw/zinc/91/17/38/572911738.db2.gz XFMRINCDRZAQTE-UHFFFAOYSA-N 0 0 186.305 1.655 10 0 ADAERN CNC(=S)c1cccc(N(C)C)c1 75856533 572911749 /nfs/dbraw/zinc/91/17/49/572911749.db2.gz MEFYZPHAAFAIEW-UHFFFAOYSA-N 0 0 194.303 1.648 10 0 ADAERN CNC(=S)c1cc(C)ccc1N 75856516 572911765 /nfs/dbraw/zinc/91/17/65/572911765.db2.gz ASUIECPKCCCLLW-UHFFFAOYSA-N 0 0 180.276 1.472 10 0 ADAERN CNC(=S)c1cccc(N)c1 75856506 572911772 /nfs/dbraw/zinc/91/17/72/572911772.db2.gz IBFZQTFSNLPPJZ-UHFFFAOYSA-N 0 0 166.249 1.164 10 0 ADAERN O=C1CC[C@@H]2CC=CCC[C@@H](O)[C@@H]12 308185689 572911814 /nfs/dbraw/zinc/91/18/14/572911814.db2.gz FRSPQJNJNCLQGW-NGZCFLSTSA-N 0 0 180.247 1.683 10 0 ADAERN CCO[C@@H](C)c1nc(C(C)=O)c[nH]1 308181989 572911863 /nfs/dbraw/zinc/91/18/63/572911863.db2.gz HTVPTXGOAMCVAV-ZETCQYMHSA-N 0 0 182.223 1.710 10 0 ADAERN CC[C@](C)(O)C(=O)CCCCOC 308185537 572911874 /nfs/dbraw/zinc/91/18/74/572911874.db2.gz FHDMIRLLBKRMBY-JTQLQIEISA-N 0 0 188.267 1.533 10 0 ADAERN CCC[C@@H](C)[C@H](NN)c1cn[nH]c1 308185564 572911924 /nfs/dbraw/zinc/91/19/24/572911924.db2.gz FIFPURNFZABZFT-APPZFPTMSA-N 0 0 182.271 1.350 10 0 ADAERN CCCCc1noc([C@@H](N)CC)n1 86314703 572911956 /nfs/dbraw/zinc/91/19/56/572911956.db2.gz HMIHZWZLFWJZGJ-ZETCQYMHSA-N 0 0 183.255 1.822 10 0 ADAERN CCCC[C@]1(OC=O)CCC[C@H]1O 308185556 572911973 /nfs/dbraw/zinc/91/19/73/572911973.db2.gz FIBNGUBPKCMLLV-ZJUUUORDSA-N 0 0 186.251 1.633 10 0 ADAERN Nc1ccc(NCCCCF)nc1 308181769 572911975 /nfs/dbraw/zinc/91/19/75/572911975.db2.gz DDQATRIKJXETSP-UHFFFAOYSA-N 0 0 183.230 1.825 10 0 ADAERN CCOC(=O)[C@]1(Cl)CCCC1=O 35975808 572911978 /nfs/dbraw/zinc/91/19/78/572911978.db2.gz BYADAYIJBYOUOU-QMMMGPOBSA-N 0 0 190.626 1.280 10 0 ADAERN OC[C@@H]1C[C@@H]1N[C@H](C(F)F)C1CC1 308181644 572911993 /nfs/dbraw/zinc/91/19/93/572911993.db2.gz GVCARKJMOMXTJF-FXQIFTODSA-N 0 0 191.221 1.001 10 0 ADAERN [NH3+][C@H]1CC(=O)c2c1cc(F)c(F)c2[O-] 713775120 572912018 /nfs/dbraw/zinc/91/20/18/572912018.db2.gz OTXKBBKMDOZMPI-YFKPBYRVSA-N 0 0 199.156 1.257 10 0 ADAERN CCC[C@H](C)[C@@H](NN)c1cn[nH]c1 308185566 572912096 /nfs/dbraw/zinc/91/20/96/572912096.db2.gz FIFPURNFZABZFT-IONNQARKSA-N 0 0 182.271 1.350 10 0 ADAERN Cc1[nH]nc2ccc(N(C)C)cc12 75883951 572912138 /nfs/dbraw/zinc/91/21/38/572912138.db2.gz IDROYUURPITVLC-UHFFFAOYSA-N 0 0 175.235 1.937 10 0 ADAERN CC[C@@H](OC)c1nc(C(C)=O)c[nH]1 308185756 572912141 /nfs/dbraw/zinc/91/21/41/572912141.db2.gz JMNBXOVBWGVJAV-MRVPVSSYSA-N 0 0 182.223 1.710 10 0 ADAERN O=C1CC[C@@H]2CC=CCC[C@H](O)[C@H]12 308185687 572912143 /nfs/dbraw/zinc/91/21/43/572912143.db2.gz FRSPQJNJNCLQGW-ATZCPNFKSA-N 0 0 180.247 1.683 10 0 ADAERN CCCCc1noc([C@H](C)N)n1 86314631 572912157 /nfs/dbraw/zinc/91/21/57/572912157.db2.gz BMKOULFQEQNXLS-LURJTMIESA-N 0 0 169.228 1.432 10 0 ADAERN O=C(OC1COC1)C1(CCF)CC1 308181615 572912253 /nfs/dbraw/zinc/91/22/53/572912253.db2.gz GTIDPCWMNIOYBF-UHFFFAOYSA-N 0 0 188.198 1.068 10 0 ADAERN C/C=C\[C@H](O)[C@@H]1C(=O)[C@@H]2CCC[C@@H]21 308182770 572912263 /nfs/dbraw/zinc/91/22/63/572912263.db2.gz DDADATSGPJINAI-REHLUXPHSA-N 0 0 180.247 1.539 10 0 ADAERN Fc1ccc(Cl)cc1C1=NCCN1 75898901 572912306 /nfs/dbraw/zinc/91/23/06/572912306.db2.gz ZQMBJEMGEJPBOT-UHFFFAOYSA-N 0 0 198.628 1.829 10 0 ADAERN CS[C@@H](C)C(=O)Oc1cccnc1 308182641 572912347 /nfs/dbraw/zinc/91/23/47/572912347.db2.gz HIXXDSLOLRDDMB-ZETCQYMHSA-N 0 0 197.259 1.739 10 0 ADAERN COc1cccc(C2=NCCN2)c1F 75898897 572912473 /nfs/dbraw/zinc/91/24/73/572912473.db2.gz BCMZIWYGHBUKHR-UHFFFAOYSA-N 0 0 194.209 1.184 10 0 ADAERN Fc1ccc(F)c(C2=NCCN2)c1 75898882 572912523 /nfs/dbraw/zinc/91/25/23/572912523.db2.gz IWCWZBHHRUZVRK-UHFFFAOYSA-N 0 0 182.173 1.315 10 0 ADAERN C/C=C/C=C/C=C/C=C/[C@H](O)[C@@H](C)O 238000594 572912492 /nfs/dbraw/zinc/91/24/92/572912492.db2.gz KNQUARMVFDSPEZ-SZUKQWNLSA-N 0 0 194.274 1.973 10 0 ADAERN [NH3+][C@H]1C[C@@H]2C[C@H](CC(=O)[O-])C[C@@H]2C1 250524748 572912509 /nfs/dbraw/zinc/91/25/09/572912509.db2.gz OIAZVHSFHIHRNC-GJFBTZRYSA-N 0 0 183.251 1.225 10 0 ADAERN Cc1[nH]nc2c(N(C)C)cccc12 75883952 572912534 /nfs/dbraw/zinc/91/25/34/572912534.db2.gz MKUJABOSHURFOP-UHFFFAOYSA-N 0 0 175.235 1.937 10 0 ADAERN Fc1cccc(C2=NCCN2)c1F 75898880 572912538 /nfs/dbraw/zinc/91/25/38/572912538.db2.gz GNKUYLUCNJQONX-UHFFFAOYSA-N 0 0 182.173 1.315 10 0 ADAERN [NH3+][C@@H]1C[C@@H]2C[C@H](CC(=O)[O-])C[C@@H]2C1 250524742 572912554 /nfs/dbraw/zinc/91/25/54/572912554.db2.gz OIAZVHSFHIHRNC-FOVOQCRYSA-N 0 0 183.251 1.225 10 0 ADAERN C/C=C/C=C/COCCCCO 238001668 572912609 /nfs/dbraw/zinc/91/26/09/572912609.db2.gz AVYZNGRXCJDJIV-WJPDYIDTSA-N 0 0 170.252 1.908 10 0 ADAERN CCCCc1nc(COC)cc(=O)[nH]1 86314915 572912638 /nfs/dbraw/zinc/91/26/38/572912638.db2.gz VUKYEHVBVGLBET-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN C/C=C/[C@@H](O)c1ccc(CCCO)o1 238039465 572912688 /nfs/dbraw/zinc/91/26/88/572912688.db2.gz QWGVAHRSCVGSIH-XCRNYIDWSA-N 0 0 196.246 1.814 10 0 ADAERN O=C1NN=C(C(F)(F)F)C12CCC2 75890884 572912691 /nfs/dbraw/zinc/91/26/91/572912691.db2.gz GZQBXOHYWKXXQL-UHFFFAOYSA-N 0 0 192.140 1.205 10 0 ADAERN Fc1cccc(F)c1C1=NCCN1 75898889 572912781 /nfs/dbraw/zinc/91/27/81/572912781.db2.gz PXHKMZGIZWQVGS-UHFFFAOYSA-N 0 0 182.173 1.315 10 0 ADAERN CCCCc1nc(N)c(CC)c(=O)[nH]1 86314820 572912787 /nfs/dbraw/zinc/91/27/87/572912787.db2.gz UKNVBVUGVUUIAP-UHFFFAOYSA-N 0 0 195.266 1.257 10 0 ADAERN C/C=C/CC(CO)(CO)C/C=C/C 238008279 572912796 /nfs/dbraw/zinc/91/27/96/572912796.db2.gz SEXZMUSCAZKFAT-GGWOSOGESA-N 0 0 184.279 1.890 10 0 ADAERN CN(C)c1c(F)ccc2[nH][nH]c(=O)c12 75883944 572912811 /nfs/dbraw/zinc/91/28/11/572912811.db2.gz UUBYWXLGLGNFKI-UHFFFAOYSA-N 0 0 195.197 1.474 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2c(F)cc([O-])cc21 713775043 572912879 /nfs/dbraw/zinc/91/28/79/572912879.db2.gz OKRGSHTULDMCQY-SSDOTTSWSA-N 0 0 181.166 1.118 10 0 ADAERN Cc1ccc2c(c1)O[C@](C)(O)C2=O 72170732 572912880 /nfs/dbraw/zinc/91/28/80/572912880.db2.gz ZRKDKQNGWJTUNM-JTQLQIEISA-N 0 0 178.187 1.279 10 0 ADAERN CCCCCO[C@H]1CC[C@H](O)CO1 308185951 572912938 /nfs/dbraw/zinc/91/29/38/572912938.db2.gz FPBPUXQNKNVECA-VHSXEESVSA-N 0 0 188.267 1.691 10 0 ADAERN CCCCc1noc([C@@H](C)N)n1 86314630 572912961 /nfs/dbraw/zinc/91/29/61/572912961.db2.gz BMKOULFQEQNXLS-ZCFIWIBFSA-N 0 0 169.228 1.432 10 0 ADAERN CCC[S@](N)(=O)=NOC(C)(C)C 404761438 572912966 /nfs/dbraw/zinc/91/29/66/572912966.db2.gz OCCGQKWPUSGPQR-GFCCVEGCSA-N 0 0 194.300 1.468 10 0 ADAERN [NH3+][C@H]1C[C@@H]2C[C@@H](CC(=O)[O-])C[C@@H]2C1 250524753 572913090 /nfs/dbraw/zinc/91/30/90/572913090.db2.gz OIAZVHSFHIHRNC-SPJNRGJMSA-N 0 0 183.251 1.225 10 0 ADAERN CCCCc1noc([C@H](N)CC)n1 86314702 572913161 /nfs/dbraw/zinc/91/31/61/572913161.db2.gz HMIHZWZLFWJZGJ-SSDOTTSWSA-N 0 0 183.255 1.822 10 0 ADAERN COC(C)(OC)[C@H](C)C[C@@H](C)CO 308187704 572913186 /nfs/dbraw/zinc/91/31/86/572913186.db2.gz GYGKSLCQZPFSHD-RKDXNWHRSA-N 0 0 190.283 1.650 10 0 ADAERN [NH3+][C@@H]1C[C@@H]2C[C@@H](CC(=O)[O-])C[C@@H]2C1 250524756 572913205 /nfs/dbraw/zinc/91/32/05/572913205.db2.gz OIAZVHSFHIHRNC-WKALFLHCSA-N 0 0 183.251 1.225 10 0 ADAERN C/C=C/C=C/[C@@H](O)CCC1OCCO1 238003354 572913485 /nfs/dbraw/zinc/91/34/85/572913485.db2.gz QKJNYXIYJXNEDG-FQTVTVBISA-N 0 0 198.262 1.633 10 0 ADAERN CCCCCO[C@H]1CC[C@@H](O)CO1 308185949 572913242 /nfs/dbraw/zinc/91/32/42/572913242.db2.gz FPBPUXQNKNVECA-NXEZZACHSA-N 0 0 188.267 1.691 10 0 ADAERN CCCCC(=O)Cc1cccnc1N 86315014 572913243 /nfs/dbraw/zinc/91/32/43/572913243.db2.gz JPJLAFHYMKPDON-UHFFFAOYSA-N 0 0 192.262 1.966 10 0 ADAERN CCOC(=O)C(C)=C(N)C(F)(F)F 75890566 572913289 /nfs/dbraw/zinc/91/32/89/572913289.db2.gz ORIQIOLYTKHVIG-PLNGDYQASA-N 0 0 197.156 1.345 10 0 ADAERN Nc1ccc([C@@H]2CCC[S@@](=O)C2)o1 257629996 572913302 /nfs/dbraw/zinc/91/33/02/572913302.db2.gz KUTGFDFWDDGCIL-FUXBKTLASA-N 0 0 199.275 1.488 10 0 ADAERN C/C=C/CCC(=O)C[C@H](O)C(C)=O 238009064 572913312 /nfs/dbraw/zinc/91/33/12/572913312.db2.gz MWCUJSQHMNXFGT-FSIBCCDJSA-N 0 0 184.235 1.252 10 0 ADAERN CCCc1c(N)n[nH]c1CCOC 86314575 572913316 /nfs/dbraw/zinc/91/33/16/572913316.db2.gz QHHLSABFVIAJMT-UHFFFAOYSA-N 0 0 183.255 1.133 10 0 ADAERN C/C=C(/C)[C@H](O)C(C)(C)CCO 237981800 572913321 /nfs/dbraw/zinc/91/33/21/572913321.db2.gz OIZCKGKUFKUCIL-RDOCRHDPSA-N 0 0 172.268 1.722 10 0 ADAERN COc1ccc(C(=O)CN(C)C)s1 308182913 572913323 /nfs/dbraw/zinc/91/33/23/572913323.db2.gz DMGJPNQUROQHOM-UHFFFAOYSA-N 0 0 199.275 1.501 10 0 ADAERN CCOC(=O)c1cnn(C2CC2)c1C 75896381 572913346 /nfs/dbraw/zinc/91/33/46/572913346.db2.gz MAXWAVIQFILRLR-UHFFFAOYSA-N 0 0 194.234 1.703 10 0 ADAERN CCc1c(C(F)(F)F)nc[nH]c1=O 75891079 572913353 /nfs/dbraw/zinc/91/33/53/572913353.db2.gz GFBMGDGKPRVGIK-UHFFFAOYSA-N 0 0 192.140 1.763 10 0 ADAERN C/C=C/C=C/[C@H](O)CCC1OCCO1 238004964 572913401 /nfs/dbraw/zinc/91/34/01/572913401.db2.gz QKJNYXIYJXNEDG-PQSAUHCHSA-N 0 0 198.262 1.633 10 0 ADAERN CCCCCO[C@@H]1CC[C@@H](O)CO1 308185952 572913406 /nfs/dbraw/zinc/91/34/06/572913406.db2.gz FPBPUXQNKNVECA-ZJUUUORDSA-N 0 0 188.267 1.691 10 0 ADAERN CCCCC(=O)Cc1ncnn1CC 86315031 572913446 /nfs/dbraw/zinc/91/34/46/572913446.db2.gz WZHNYKLBXDIQIH-UHFFFAOYSA-N 0 0 195.266 1.600 10 0 ADAERN Nc1ccc([C@H]2CCC[S@@](=O)C2)o1 257629999 572913457 /nfs/dbraw/zinc/91/34/57/572913457.db2.gz KUTGFDFWDDGCIL-WPPNPWJKSA-N 0 0 199.275 1.488 10 0 ADAERN C/C=C/C=C/C=C/C=C/[C@H](O)[C@H](C)O 238000625 572913476 /nfs/dbraw/zinc/91/34/76/572913476.db2.gz KNQUARMVFDSPEZ-UHWNWHMBSA-N 0 0 194.274 1.973 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2c1cc(F)c(F)c2[O-] 713775117 572913496 /nfs/dbraw/zinc/91/34/96/572913496.db2.gz OTXKBBKMDOZMPI-RXMQYKEDSA-N 0 0 199.156 1.257 10 0 ADAERN [NH3+][C@H]1CC(=O)c2c(F)cc([O-])cc21 713775049 572913616 /nfs/dbraw/zinc/91/36/16/572913616.db2.gz OKRGSHTULDMCQY-ZETCQYMHSA-N 0 0 181.166 1.118 10 0 ADAERN c1cc2c3c(c[nH]c3c1)Cn1cnnc1-2 238004137 572913626 /nfs/dbraw/zinc/91/36/26/572913626.db2.gz OZQDKQPZMWYYNN-UHFFFAOYSA-N 0 0 196.213 1.788 10 0 ADAERN Nc1ccc([C@@H]2CCC[S@](=O)C2)o1 257629997 572913627 /nfs/dbraw/zinc/91/36/27/572913627.db2.gz KUTGFDFWDDGCIL-UHLUBPPHSA-N 0 0 199.275 1.488 10 0 ADAERN CC/C=C/C(=O)NOCCOCC 308186027 572913971 /nfs/dbraw/zinc/91/39/71/572913971.db2.gz JCDBJKMMSLJJAC-AATRIKPKSA-N 0 0 187.239 1.037 10 0 ADAERN COC(C)(OC)[C@@H](C)C[C@H](C)CO 308187703 572913685 /nfs/dbraw/zinc/91/36/85/572913685.db2.gz GYGKSLCQZPFSHD-IUCAKERBSA-N 0 0 190.283 1.650 10 0 ADAERN Cc1n[nH]c2cc(N(C)C)ccc12 75883963 572913720 /nfs/dbraw/zinc/91/37/20/572913720.db2.gz RBEAFRNHALZAHV-UHFFFAOYSA-N 0 0 175.235 1.937 10 0 ADAERN CCCCc1noc(C(C)(C)N)n1 86314634 572913837 /nfs/dbraw/zinc/91/38/37/572913837.db2.gz FOQOASBBBOTPAO-UHFFFAOYSA-N 0 0 183.255 1.606 10 0 ADAERN CCC(=O)NC(C)(C)C(C)(C)CO 308186306 572913854 /nfs/dbraw/zinc/91/38/54/572913854.db2.gz JYKQUGDNAUFZBE-UHFFFAOYSA-N 0 0 187.283 1.310 10 0 ADAERN CCC[C@@](O)(CC)c1cn(C)cn1 308187642 572913928 /nfs/dbraw/zinc/91/39/28/572913928.db2.gz LCNYBIZUKDIXOF-JTQLQIEISA-N 0 0 182.267 1.818 10 0 ADAERN CCCCC(=O)Cc1ncnn1C 86315054 572913898 /nfs/dbraw/zinc/91/38/98/572913898.db2.gz BXYRRWBSHZQLHZ-UHFFFAOYSA-N 0 0 181.239 1.117 10 0 ADAERN CCCCc1noc([C@@H](N)C2CC2)n1 86314641 572913936 /nfs/dbraw/zinc/91/39/36/572913936.db2.gz IVJWUURNFBPKKR-VIFPVBQESA-N 0 0 195.266 1.822 10 0 ADAERN CCCCc1nc(C2CC2)cc(=O)[nH]1 86314918 572913918 /nfs/dbraw/zinc/91/39/18/572913918.db2.gz LHCHEHICHKOXCO-UHFFFAOYSA-N 0 0 192.262 1.990 10 0 ADAERN CCCCc1noc(C(=O)OCC)n1 86314811 572914225 /nfs/dbraw/zinc/91/42/25/572914225.db2.gz YVFASGLDGJTLQV-UHFFFAOYSA-N 0 0 198.222 1.589 10 0 ADAERN COCCONC(C(C)C)C(C)C 308187676 572914238 /nfs/dbraw/zinc/91/42/38/572914238.db2.gz GWJTXRRQCMJLFE-UHFFFAOYSA-N 0 0 189.299 1.835 10 0 ADAERN CCOCCSc1ccnc(C)n1 308186429 572914276 /nfs/dbraw/zinc/91/42/76/572914276.db2.gz JKQBUOXMNPKDKA-UHFFFAOYSA-N 0 0 198.291 1.914 10 0 ADAERN C/C=C/OC(=O)Cc1ccon1 238023689 572914333 /nfs/dbraw/zinc/91/43/33/572914333.db2.gz WZMXXSBPEMNELV-DUXPYHPUSA-N 0 0 167.164 1.294 10 0 ADAERN CNC(=O)[C@@H](O)c1ccc(C)c(C)c1 57488954 572915126 /nfs/dbraw/zinc/91/51/26/572915126.db2.gz MVVOHHQNYHISSW-JTQLQIEISA-N 0 0 193.246 1.083 10 0 ADAERN CCC[S@@](N)(=O)=NOC(C)(C)C 404761439 572914419 /nfs/dbraw/zinc/91/44/19/572914419.db2.gz OCCGQKWPUSGPQR-LBPRGKRZSA-N 0 0 194.300 1.468 10 0 ADAERN C[C@@H](O)c1cnnn1-c1ccccc1 72186975 572914693 /nfs/dbraw/zinc/91/46/93/572914693.db2.gz UHIPDUMRMNYKIB-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN CC1(C)CNC(=O)c2cccc(F)c21 57488749 572914448 /nfs/dbraw/zinc/91/44/48/572914448.db2.gz OYDDHWIXHOIPEH-UHFFFAOYSA-N 0 0 193.221 1.847 10 0 ADAERN CCON(C)C(=O)C(C)(C)C1CC1 308186166 572914505 /nfs/dbraw/zinc/91/45/05/572914505.db2.gz JGFKCUKTVHVXSJ-UHFFFAOYSA-N 0 0 185.267 1.833 10 0 ADAERN CCCOC(=O)N(C)[C@@H]1CCOC1 308186331 572914599 /nfs/dbraw/zinc/91/45/99/572914599.db2.gz KAGOZMDZSAQQGM-MRVPVSSYSA-N 0 0 187.239 1.254 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2c([O-])cc(F)cc21 713775584 572914630 /nfs/dbraw/zinc/91/46/30/572914630.db2.gz RGHFZJOUPFCBBE-ZCFIWIBFSA-N 0 0 181.166 1.118 10 0 ADAERN C/C(CCO)=C1\C=C\C1=C(\C)CCO 238040008 572914647 /nfs/dbraw/zinc/91/46/47/572914647.db2.gz QDXCKLQRLXOXCR-WGDLNXRISA-N 0 0 194.274 1.954 10 0 ADAERN Cc1c(N)sc2c1NC(=O)CN2C 257631128 572914668 /nfs/dbraw/zinc/91/46/68/572914668.db2.gz RIHKLAWMWQPPBQ-UHFFFAOYSA-N 0 0 197.263 1.027 10 0 ADAERN CC1(C)Cc2c(F)cccc2C(=O)N1 57488745 572914724 /nfs/dbraw/zinc/91/47/24/572914724.db2.gz UGIXIFDUADNTJH-UHFFFAOYSA-N 0 0 193.221 1.890 10 0 ADAERN CC(C)CCC(=O)c1cnn(C)n1 308186100 572914767 /nfs/dbraw/zinc/91/47/67/572914767.db2.gz JUZVRYSNDWOMCN-UHFFFAOYSA-N 0 0 181.239 1.434 10 0 ADAERN CCCCc1noc([C@H](N)C2CC2)n1 86314640 572914808 /nfs/dbraw/zinc/91/48/08/572914808.db2.gz IVJWUURNFBPKKR-SECBINFHSA-N 0 0 195.266 1.822 10 0 ADAERN CC1(C)Cc2ccc(F)cc2C(=O)N1 57488743 572915139 /nfs/dbraw/zinc/91/51/39/572915139.db2.gz CMQHXRYLKSWUQI-UHFFFAOYSA-N 0 0 193.221 1.890 10 0 ADAERN CCCc1c(CCOC)nn(C)c1N 86314617 572914871 /nfs/dbraw/zinc/91/48/71/572914871.db2.gz QIXGXODHNCMWFW-UHFFFAOYSA-N 0 0 197.282 1.144 10 0 ADAERN CCCOC(=O)N(C)[C@H]1CCOC1 308186332 572914873 /nfs/dbraw/zinc/91/48/73/572914873.db2.gz KAGOZMDZSAQQGM-QMMMGPOBSA-N 0 0 187.239 1.254 10 0 ADAERN CNC(=O)[C@H](O)c1ccc(C)c(C)c1 57488955 572914932 /nfs/dbraw/zinc/91/49/32/572914932.db2.gz MVVOHHQNYHISSW-SNVBAGLBSA-N 0 0 193.246 1.083 10 0 ADAERN CCCc1c(N)n[nH]c1CCOCC 86314543 572914935 /nfs/dbraw/zinc/91/49/35/572914935.db2.gz BSZZUIDGCGFVOJ-UHFFFAOYSA-N 0 0 197.282 1.523 10 0 ADAERN Cc1cc([C@](C)([NH3+])C(=O)[O-])ccc1F 57490209 572914957 /nfs/dbraw/zinc/91/49/57/572914957.db2.gz BICBMFRDGBMQLH-JTQLQIEISA-N 0 0 197.209 1.393 10 0 ADAERN Cc1cc([C@H]2CCNC2=O)ccc1F 57488799 572915144 /nfs/dbraw/zinc/91/51/44/572915144.db2.gz BHDMPWLVEQHQGT-SECBINFHSA-N 0 0 193.221 1.738 10 0 ADAERN [NH3+][C@H]1CC(=O)c2c([O-])cc(F)cc21 713775581 572915145 /nfs/dbraw/zinc/91/51/45/572915145.db2.gz RGHFZJOUPFCBBE-LURJTMIESA-N 0 0 181.166 1.118 10 0 ADAERN CC/C=C\C(=O)NOCCOCC 308186028 572914987 /nfs/dbraw/zinc/91/49/87/572914987.db2.gz JCDBJKMMSLJJAC-WAYWQWQTSA-N 0 0 187.239 1.037 10 0 ADAERN CCCCc1nc(CC)c(C)c(=O)[nH]1 86314919 572915022 /nfs/dbraw/zinc/91/50/22/572915022.db2.gz CCWDWPVSSKHLSL-UHFFFAOYSA-N 0 0 194.278 1.983 10 0 ADAERN Cc1cc([C@@](C)([NH3+])C(=O)[O-])ccc1F 57490212 572915037 /nfs/dbraw/zinc/91/50/37/572915037.db2.gz BICBMFRDGBMQLH-SNVBAGLBSA-N 0 0 197.209 1.393 10 0 ADAERN CCN1C(=O)CC(=O)[C@@H]1[C@@]1(C)C[C@@H]1C 714594530 572915047 /nfs/dbraw/zinc/91/50/47/572915047.db2.gz IGRQOHXBJNGOCI-XROYCOCOSA-N 0 0 195.262 1.222 10 0 ADAERN Cc1cn(-c2ccccc2F)nn1 72155607 572915051 /nfs/dbraw/zinc/91/50/51/572915051.db2.gz UWUKYOFOKJSWSO-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN CCCc1c(N)n[nH]c1CC1CC1 86314535 572915085 /nfs/dbraw/zinc/91/50/85/572915085.db2.gz PXGDUWHXNZXVCX-UHFFFAOYSA-N 0 0 179.267 1.897 10 0 ADAERN CNC(=O)[C@H](O)c1ccc(C)cc1C 57488950 572915101 /nfs/dbraw/zinc/91/51/01/572915101.db2.gz LYEZQRWJDSAGOI-SNVBAGLBSA-N 0 0 193.246 1.083 10 0 ADAERN O=c1[nH]cc(C2CCC2)s1 72191703 572915200 /nfs/dbraw/zinc/91/52/00/572915200.db2.gz QJXXQAOAEKNXQY-UHFFFAOYSA-N 0 0 155.222 1.704 10 0 ADAERN C/C=C(\C(=O)[O-])C(C)(C)CC[NH3+] 116673768 572915299 /nfs/dbraw/zinc/91/52/99/572915299.db2.gz YCLFSFMVOZDYMN-QPJJXVBHSA-N 0 0 171.240 1.392 10 0 ADAERN CC[C@H](C)n1ccc(CON)n1 86335495 572915388 /nfs/dbraw/zinc/91/53/88/572915388.db2.gz HMMPXSMCGZFVEM-ZETCQYMHSA-N 0 0 169.228 1.244 10 0 ADAERN c1cc(-c2cnc3c(c2)C[NH2+]C3)ccn1 238043413 572915342 /nfs/dbraw/zinc/91/53/42/572915342.db2.gz LYGMTECCXZWCLK-UHFFFAOYSA-N 0 0 197.241 1.747 10 0 ADAERN O=C(OCCCF)[C@H]1CCC1(F)F 308188512 572915464 /nfs/dbraw/zinc/91/54/64/572915464.db2.gz LLUDWOHLWVRQHS-ZCFIWIBFSA-N 0 0 196.168 1.935 10 0 ADAERN C[C@@]1(NCC(F)(F)F)CCCOC1 235402745 572915516 /nfs/dbraw/zinc/91/55/16/572915516.db2.gz PKWNIPMJDZBFSL-SSDOTTSWSA-N 0 0 197.200 1.707 10 0 ADAERN CN[C@@H](C)c1nnc(C(F)F)o1 50618533 572915538 /nfs/dbraw/zinc/91/55/38/572915538.db2.gz SYTHDPCKLXHJIO-VKHMYHEASA-N 0 0 177.154 1.288 10 0 ADAERN CCCCc1nnc(CNC)o1 50615397 572915556 /nfs/dbraw/zinc/91/55/56/572915556.db2.gz VYMBFYZKAKGWIP-UHFFFAOYSA-N 0 0 169.228 1.132 10 0 ADAERN CC(C)C[C@H](C)[C@@H](O)c1nc[nH]n1 308188296 572915587 /nfs/dbraw/zinc/91/55/87/572915587.db2.gz LLYGEOPBYKFSGC-JGVFFNPUSA-N 0 0 183.255 1.520 10 0 ADAERN CC(N)=CC(=O)NC(C1CC1)C1CC1 238048763 572915847 /nfs/dbraw/zinc/91/58/47/572915847.db2.gz PTOZQKQCVGMPLV-SREVYHEPSA-N 0 0 194.278 1.154 10 0 ADAERN C[C@@H]1CCCN(O)C1 72231378 572915639 /nfs/dbraw/zinc/91/56/39/572915639.db2.gz XCQXZALYJATQRG-ZCFIWIBFSA-N 0 0 115.176 1.108 10 0 ADAERN CCOc1cnn([C@@H](C)[C@H](C)O)c1 308188579 572915676 /nfs/dbraw/zinc/91/56/76/572915676.db2.gz LQYIRJNGWRBNRR-YUMQZZPRSA-N 0 0 184.239 1.224 10 0 ADAERN Cc1cc2c(cn1)N=NC2 72231327 572915696 /nfs/dbraw/zinc/91/56/96/572915696.db2.gz DNJPFVMYUOGYMD-UHFFFAOYSA-N 0 0 133.154 1.987 10 0 ADAERN C1=c2ncc3ccc4cnc(c2n43)CC1 237991540 572915810 /nfs/dbraw/zinc/91/58/10/572915810.db2.gz ZZNNBVZLGDTFKS-UHFFFAOYSA-N 0 0 195.225 1.328 10 0 ADAERN O=C([O-])c1coc(CNCCF)c1 308188337 572916089 /nfs/dbraw/zinc/91/60/89/572916089.db2.gz LOWNQXWSTLBYQF-UHFFFAOYSA-N 0 0 187.170 1.037 10 0 ADAERN CCCCC(=O)c1ccnn1C 86315065 572916105 /nfs/dbraw/zinc/91/61/05/572916105.db2.gz JZCRZIWFHJPVNK-UHFFFAOYSA-N 0 0 166.224 1.793 10 0 ADAERN CC1=NC(=O)CCC1 72231391 572916107 /nfs/dbraw/zinc/91/61/07/572916107.db2.gz UBQYMDOSRRHSSL-UHFFFAOYSA-N 0 0 111.144 1.158 10 0 ADAERN C[C@H]1CCCN(O)C1 72231379 572916125 /nfs/dbraw/zinc/91/61/25/572916125.db2.gz XCQXZALYJATQRG-LURJTMIESA-N 0 0 115.176 1.108 10 0 ADAERN CCC1=NCCCC1=O 72230698 572916175 /nfs/dbraw/zinc/91/61/75/572916175.db2.gz UWJSSSAMYBENLW-UHFFFAOYSA-N 0 0 125.171 1.200 10 0 ADAERN CN(C)c1nnc(C2CC2)o1 72232739 572916201 /nfs/dbraw/zinc/91/62/01/572916201.db2.gz SQIJUOJIZQXRAR-UHFFFAOYSA-N 0 0 153.185 1.013 10 0 ADAERN CCC[C@@H](CO)[C@H](CO)CCC 116672256 572916206 /nfs/dbraw/zinc/91/62/06/572916206.db2.gz VWLZGROLRVQREK-UWVGGRQHSA-N 0 0 174.284 1.804 10 0 ADAERN c1ccc(-c2cnc3c(c2)C[NH2+]C3)nc1 238043247 572916218 /nfs/dbraw/zinc/91/62/18/572916218.db2.gz UAKOEMDDMXRXNA-UHFFFAOYSA-N 0 0 197.241 1.747 10 0 ADAERN C[C@H]1SCCC[C@H]1O 72220325 572916261 /nfs/dbraw/zinc/91/62/61/572916261.db2.gz XQETWBPKTNOENA-PHDIDXHHSA-N 0 0 132.228 1.263 10 0 ADAERN C[C@](C[NH3+])(C(=O)[O-])C1CCCC1 235402164 572916303 /nfs/dbraw/zinc/91/63/03/572916303.db2.gz SZOXAMAQOOTMLI-SECBINFHSA-N 0 0 171.240 1.226 10 0 ADAERN C=CC(=O)OCc1ccc(C=O)nc1 238040790 572916322 /nfs/dbraw/zinc/91/63/22/572916322.db2.gz INHAGDGTSAGIFZ-UHFFFAOYSA-N 0 0 191.186 1.123 10 0 ADAERN CC(C)[C@@H](O)C/C=C/C[C@H](C)CO 308188828 572916836 /nfs/dbraw/zinc/91/68/36/572916836.db2.gz HQERBGBSRUNCNI-NNOMMRTBSA-N 0 0 186.295 1.968 10 0 ADAERN Cc1cccc(NC=N)n1 72231330 572916388 /nfs/dbraw/zinc/91/63/88/572916388.db2.gz RFMAUXQTMNSNDN-UHFFFAOYSA-N 0 0 135.170 1.409 10 0 ADAERN CN[C@H](C)c1nnc([C@@H]2C[C@H]2C)o1 50618426 572917065 /nfs/dbraw/zinc/91/70/65/572917065.db2.gz GZHQHCLWTVMRMH-FSDSQADBSA-N 0 0 181.239 1.473 10 0 ADAERN CCC[C@H](CO)[C@@H](CO)CCC 116672255 572916464 /nfs/dbraw/zinc/91/64/64/572916464.db2.gz VWLZGROLRVQREK-NXEZZACHSA-N 0 0 174.284 1.804 10 0 ADAERN CCC(=N)c1ccccn1 72231237 572916471 /nfs/dbraw/zinc/91/64/71/572916471.db2.gz GEDBERHTCKJABQ-UHFFFAOYSA-N 0 0 134.182 1.859 10 0 ADAERN c1cnc2nocc2c1 72230793 572916486 /nfs/dbraw/zinc/91/64/86/572916486.db2.gz FEPXOWICZHILLB-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN CN[C@H](C)c1nnc([C@H]2C[C@H]2C)o1 50618424 572916487 /nfs/dbraw/zinc/91/64/87/572916487.db2.gz GZHQHCLWTVMRMH-QYNIQEEDSA-N 0 0 181.239 1.473 10 0 ADAERN C[C@@H]1Cc2cccnc2C1 72231204 572916494 /nfs/dbraw/zinc/91/64/94/572916494.db2.gz HHBQSLVSZZCDMV-SSDOTTSWSA-N 0 0 133.194 1.816 10 0 ADAERN CCOc1cnn(CC(C)(C)O)c1 308188759 572916506 /nfs/dbraw/zinc/91/65/06/572916506.db2.gz LVRFZOHSEBOORD-UHFFFAOYSA-N 0 0 184.239 1.053 10 0 ADAERN Cn1ccnc1Oc1cccc(O)c1 50607058 572916507 /nfs/dbraw/zinc/91/65/07/572916507.db2.gz OTAHMJKDJWZNGZ-UHFFFAOYSA-N 0 0 190.202 1.918 10 0 ADAERN CC(N)=CC(=O)OCC1CCC1 238048915 572916716 /nfs/dbraw/zinc/91/67/16/572916716.db2.gz OZGSAPIHNATUTF-ALCCZGGFSA-N 0 0 169.224 1.192 10 0 ADAERN CC(C)C[C@H](C)[C@H](O)c1nc[nH]n1 308188298 572916513 /nfs/dbraw/zinc/91/65/13/572916513.db2.gz LLYGEOPBYKFSGC-YUMQZZPRSA-N 0 0 183.255 1.520 10 0 ADAERN C/C(=C\CCCO)CCCO 238039430 572917067 /nfs/dbraw/zinc/91/70/67/572917067.db2.gz UVDPBMPZMLQSCC-WEVVVXLNSA-N 0 0 158.241 1.478 10 0 ADAERN ON1CCCC2=CCCC[C@H]21 196967342 572916576 /nfs/dbraw/zinc/91/65/76/572916576.db2.gz RRFNBVJTGWBPKL-SECBINFHSA-N 0 0 153.225 1.950 10 0 ADAERN CCCCC(=O)Cc1cnn(C)c1 86315081 572916593 /nfs/dbraw/zinc/91/65/93/572916593.db2.gz NQRQQRLGLUXCCS-UHFFFAOYSA-N 0 0 180.251 1.722 10 0 ADAERN C/C(=C\CC[C@@H]1CCOC1)CO 238043713 572916612 /nfs/dbraw/zinc/91/66/12/572916612.db2.gz NHBRMYOSXCVRIR-OTVCUZDGSA-N 0 0 170.252 1.742 10 0 ADAERN C[C@@H]1SCCC[C@H]1O 72220326 572916619 /nfs/dbraw/zinc/91/66/19/572916619.db2.gz XQETWBPKTNOENA-NTSWFWBYSA-N 0 0 132.228 1.263 10 0 ADAERN c1cc2conc2cn1 72230787 572916625 /nfs/dbraw/zinc/91/66/25/572916625.db2.gz LYJQKVHNCAMDPH-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN c1cc2nocc2cn1 72230776 572916658 /nfs/dbraw/zinc/91/66/58/572916658.db2.gz IFNHQGQXAFWIIG-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN CC(C)C[C@@H](C)[C@H](O)c1nc[nH]n1 308188297 572916663 /nfs/dbraw/zinc/91/66/63/572916663.db2.gz LLYGEOPBYKFSGC-SFYZADRCSA-N 0 0 183.255 1.520 10 0 ADAERN Cc1cncc2c1CCC2 72231183 572916985 /nfs/dbraw/zinc/91/69/85/572916985.db2.gz DNOMTIGKEMICLC-UHFFFAOYSA-N 0 0 133.194 1.879 10 0 ADAERN CC(C)[C@H](O)C/C=C\C[C@H](C)CO 308188832 572917072 /nfs/dbraw/zinc/91/70/72/572917072.db2.gz HQERBGBSRUNCNI-NRFYAWERSA-N 0 0 186.295 1.968 10 0 ADAERN C[C@](C[NH3+])(C(=O)[O-])C1CCCCC1 235402217 572916725 /nfs/dbraw/zinc/91/67/25/572916725.db2.gz XSHXRUIXYIBNLD-SNVBAGLBSA-N 0 0 185.267 1.616 10 0 ADAERN CCCCC(=O)Cc1ccnc(N)c1 86315066 572916774 /nfs/dbraw/zinc/91/67/74/572916774.db2.gz DDSMQDCWDWAXMS-UHFFFAOYSA-N 0 0 192.262 1.966 10 0 ADAERN CCC(C)(C)[C@H](O)Cn1ccnc1 308188517 572916775 /nfs/dbraw/zinc/91/67/75/572916775.db2.gz HODWIEGCYCYMKA-SECBINFHSA-N 0 0 182.267 1.680 10 0 ADAERN c1ncc(-c2cnc3c(c2)C[NH2+]C3)cn1 238043539 572916814 /nfs/dbraw/zinc/91/68/14/572916814.db2.gz YNBXHDILKCPBAJ-UHFFFAOYSA-N 0 0 198.229 1.142 10 0 ADAERN C[C@H]1SCCC[C@@H]1O 72220327 572916880 /nfs/dbraw/zinc/91/68/80/572916880.db2.gz XQETWBPKTNOENA-RITPCOANSA-N 0 0 132.228 1.263 10 0 ADAERN CCOc1cnn([C@H](C)[C@H](C)O)c1 308188578 572916888 /nfs/dbraw/zinc/91/68/88/572916888.db2.gz LQYIRJNGWRBNRR-SFYZADRCSA-N 0 0 184.239 1.224 10 0 ADAERN CC(=O)C[C@]1(C)C=C(C)OC1=O 196964338 572916912 /nfs/dbraw/zinc/91/69/12/572916912.db2.gz HCQMTLXIJUSEDI-SECBINFHSA-N 0 0 168.192 1.432 10 0 ADAERN C[C@@H]1SCC[C@]1(O)[C@@H]1CCOC1 235404730 572916916 /nfs/dbraw/zinc/91/69/16/572916916.db2.gz NKDIJYIEDXVESG-DJLDLDEBSA-N 0 0 188.292 1.279 10 0 ADAERN C[C@@H]1C[C@@H](n2cncc2CO)CCO1 235401936 572916937 /nfs/dbraw/zinc/91/69/37/572916937.db2.gz IYYDUUCOQVJGGH-BDAKNGLRSA-N 0 0 196.250 1.115 10 0 ADAERN O=C(OCCCF)[C@@H]1CCC1(F)F 308188511 572916946 /nfs/dbraw/zinc/91/69/46/572916946.db2.gz LLUDWOHLWVRQHS-LURJTMIESA-N 0 0 196.168 1.935 10 0 ADAERN c1cncc(-c2cnc3c(c2)C[NH2+]C3)c1 238043287 572916979 /nfs/dbraw/zinc/91/69/79/572916979.db2.gz QUJMLVITEXDRKZ-UHFFFAOYSA-N 0 0 197.241 1.747 10 0 ADAERN C[C@@H]1SCCC[C@@H]1O 72220328 572917014 /nfs/dbraw/zinc/91/70/14/572917014.db2.gz XQETWBPKTNOENA-WDSKDSINSA-N 0 0 132.228 1.263 10 0 ADAERN ON1CCCC2=CCCC[C@@H]21 196967353 572917059 /nfs/dbraw/zinc/91/70/59/572917059.db2.gz RRFNBVJTGWBPKL-VIFPVBQESA-N 0 0 153.225 1.950 10 0 ADAERN c1cnc2oncc2c1 72230774 572917037 /nfs/dbraw/zinc/91/70/37/572917037.db2.gz DITTYRBIXKVOTK-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN CC(C)(CC(=O)[O-])C1CC[NH2+]CC1 72208369 572917042 /nfs/dbraw/zinc/91/70/42/572917042.db2.gz NEDSJDAIYABCRD-UHFFFAOYSA-N 0 0 185.267 1.487 10 0 ADAERN CCOc1ccc(NC=O)cc1CO 50607507 572917299 /nfs/dbraw/zinc/91/72/99/572917299.db2.gz CQINWRWEXJZSBR-UHFFFAOYSA-N 0 0 195.218 1.146 10 0 ADAERN CC(C)[C@H](O)C/C=C/C[C@H](C)CO 308188824 572917340 /nfs/dbraw/zinc/91/73/40/572917340.db2.gz HQERBGBSRUNCNI-BXXZLRJFSA-N 0 0 186.295 1.968 10 0 ADAERN CCCCC[C@@H]1O[C@H](OC)C[C@H]1O 308188509 572917348 /nfs/dbraw/zinc/91/73/48/572917348.db2.gz HNCVQYQODXGQGA-UTLUCORTSA-N 0 0 188.267 1.689 10 0 ADAERN O=C(OCC(F)(F)F)C1(O)CCC1 308188448 572917377 /nfs/dbraw/zinc/91/73/77/572917377.db2.gz LJIRBESJAQLYCB-UHFFFAOYSA-N 0 0 198.140 1.007 10 0 ADAERN C[C@H]1Cc2cccnc2C1 72231205 572917457 /nfs/dbraw/zinc/91/74/57/572917457.db2.gz HHBQSLVSZZCDMV-ZETCQYMHSA-N 0 0 133.194 1.816 10 0 ADAERN C[C@@](C[NH3+])(CCC(F)(F)F)C(=O)[O-] 235403881 572917505 /nfs/dbraw/zinc/91/75/05/572917505.db2.gz KHWVQLSXZGDRFF-LURJTMIESA-N 0 0 199.172 1.379 10 0 ADAERN Cc1cccc(C=N)n1 72230788 572917569 /nfs/dbraw/zinc/91/75/69/572917569.db2.gz PSEKYHGCRBSWAT-UHFFFAOYSA-N 0 0 120.155 1.388 10 0 ADAERN CN1CCCC[C@H]1c1nccn1C 75907147 572917542 /nfs/dbraw/zinc/91/75/42/572917542.db2.gz KGCIOLHOFLYZOH-VIFPVBQESA-N 0 0 179.267 1.577 10 0 ADAERN CC1=NO[C@H]2CCCC(=O)[C@@H]12 196961985 572917606 /nfs/dbraw/zinc/91/76/06/572917606.db2.gz NBODKTMNCUABNT-JGVFFNPUSA-N 0 0 153.181 1.130 10 0 ADAERN C/C(=C\CO)COCC(C)(C)C 238044302 572917609 /nfs/dbraw/zinc/91/76/09/572917609.db2.gz URADCPCMCNNILA-WEVVVXLNSA-N 0 0 172.268 1.988 10 0 ADAERN CC1=NO[C@@H]2CCCC(=O)[C@H]12 196961971 572917619 /nfs/dbraw/zinc/91/76/19/572917619.db2.gz NBODKTMNCUABNT-SFYZADRCSA-N 0 0 153.181 1.130 10 0 ADAERN O=C(OCCCO)C1(CCF)CC1 308188667 572917657 /nfs/dbraw/zinc/91/76/57/572917657.db2.gz LNWUVFCUOWQFSG-UHFFFAOYSA-N 0 0 190.214 1.052 10 0 ADAERN CCCCc1noc(CC(=O)CC)n1 86324251 572917663 /nfs/dbraw/zinc/91/76/63/572917663.db2.gz AOLHNCLONAWORE-UHFFFAOYSA-N 0 0 196.250 1.934 10 0 ADAERN CCCCC[C@@H]1O[C@H](OC)C[C@@H]1O 308188507 572917696 /nfs/dbraw/zinc/91/76/96/572917696.db2.gz HNCVQYQODXGQGA-GUBZILKMSA-N 0 0 188.267 1.689 10 0 ADAERN C/C=C/C(C)=C/[C@H](C)[C@H](O)CO 237996569 572917700 /nfs/dbraw/zinc/91/77/00/572917700.db2.gz NHLCFOJMYTWARO-RYRBQVHHSA-N 0 0 170.252 1.498 10 0 ADAERN CC(C)(C)C[C@](C)(O)COCCO 238084419 572917710 /nfs/dbraw/zinc/91/77/10/572917710.db2.gz SFEVGWREXASVHQ-JTQLQIEISA-N 0 0 190.283 1.183 10 0 ADAERN O=C([O-])C1(CCC2CC2)CC[NH2+]CC1 86341280 572917711 /nfs/dbraw/zinc/91/77/11/572917711.db2.gz PHDFQWXOAUFLIE-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN C=CC(=O)OCc1cccc(C=O)n1 238040836 572917740 /nfs/dbraw/zinc/91/77/40/572917740.db2.gz DAATURHRSPGCPB-UHFFFAOYSA-N 0 0 191.186 1.123 10 0 ADAERN CCCCc1noc([C@H](C)[C@H](C)O)n1 86324326 572917751 /nfs/dbraw/zinc/91/77/51/572917751.db2.gz HPVQODNSYABPME-SFYZADRCSA-N 0 0 198.266 1.897 10 0 ADAERN C/C=C(/CCO)c1cccc(CO)c1 237985047 572917798 /nfs/dbraw/zinc/91/77/98/572917798.db2.gz APDQFSCYTOJMKH-FUQNDXKWSA-N 0 0 192.258 1.965 10 0 ADAERN CCCC[C@@H]([NH3+])c1ccnn1C 86323009 572917819 /nfs/dbraw/zinc/91/78/19/572917819.db2.gz SBGZROVZZPENHM-MRVPVSSYSA-N 0 0 167.256 1.610 10 0 ADAERN CCCCc1noc([C@@H](C)O)n1 86324403 572917833 /nfs/dbraw/zinc/91/78/33/572917833.db2.gz NVTJIYQRJJTNFX-ZCFIWIBFSA-N 0 0 170.212 1.466 10 0 ADAERN CCCCc1noc(NC2CC2)n1 86323878 572917838 /nfs/dbraw/zinc/91/78/38/572917838.db2.gz BCCJDPNQVXCCON-UHFFFAOYSA-N 0 0 181.239 1.987 10 0 ADAERN CCCCc1noc(CCC(C)=O)n1 86324277 572917849 /nfs/dbraw/zinc/91/78/49/572917849.db2.gz OVGVVUUKADNIKW-UHFFFAOYSA-N 0 0 196.250 1.934 10 0 ADAERN CCCCc1noc(CC(C)=O)n1 86324219 572917871 /nfs/dbraw/zinc/91/78/71/572917871.db2.gz VGZVZLYHMRRPLC-UHFFFAOYSA-N 0 0 182.223 1.544 10 0 ADAERN C[C@@H]1SCC[C@]1(O)c1ccnn1C 235407372 572917889 /nfs/dbraw/zinc/91/78/89/572917889.db2.gz AYBPZSWOMOXFIE-IONNQARKSA-N 0 0 198.291 1.133 10 0 ADAERN CCC[NH2+][C@@H](CO)c1ccc(C)nc1 162336914 572917962 /nfs/dbraw/zinc/91/79/62/572917962.db2.gz YMNYPEGEFWOUJK-NSHDSACASA-N 0 0 194.278 1.423 10 0 ADAERN C[C@@H]([C@@H](C(=O)[O-])[NH+](C)C)C(C)(C)C 308189954 572917978 /nfs/dbraw/zinc/91/79/78/572917978.db2.gz MWFIZWFOKAQWHP-YUMQZZPRSA-N 0 0 187.283 1.683 10 0 ADAERN C/C=C/[C@H](O)C/C=C/[C@@H]1C=COCO1 238054819 572917998 /nfs/dbraw/zinc/91/79/98/572917998.db2.gz KTTZSINHYVYGSF-OLOCMCKXSA-N 0 0 196.246 1.756 10 0 ADAERN CCCCc1noc(C[C@@H](C)O)n1 86324313 572918020 /nfs/dbraw/zinc/91/80/20/572918020.db2.gz CKEMYUGGLVGHTG-SSDOTTSWSA-N 0 0 184.239 1.336 10 0 ADAERN CCCCc1noc([C@@H](C)[C@@H](C)O)n1 86324317 572918095 /nfs/dbraw/zinc/91/80/95/572918095.db2.gz HPVQODNSYABPME-JGVFFNPUSA-N 0 0 198.266 1.897 10 0 ADAERN CCCC[C@H]([NH3+])c1ccnn1C 86323007 572918100 /nfs/dbraw/zinc/91/81/00/572918100.db2.gz SBGZROVZZPENHM-QMMMGPOBSA-N 0 0 167.256 1.610 10 0 ADAERN C[C@@H]1SCC[C@]1(O)c1ccoc1 235407432 572918121 /nfs/dbraw/zinc/91/81/21/572918121.db2.gz OGAGJPNIEWMUGY-IONNQARKSA-N 0 0 184.260 1.993 10 0 ADAERN CCCCc1nc(N)nc(CCC)n1 86324633 572918122 /nfs/dbraw/zinc/91/81/22/572918122.db2.gz NBSZZNNGDJLDMH-UHFFFAOYSA-N 0 0 194.282 1.749 10 0 ADAERN O=C([O-])[C@]1(CCC2CC2)CC[NH2+]C1 86341475 572918151 /nfs/dbraw/zinc/91/81/51/572918151.db2.gz XWKDJOGDEDSILF-SNVBAGLBSA-N 0 0 183.251 1.241 10 0 ADAERN CCCCc1noc(C[C@H](O)CC)n1 86324353 572918155 /nfs/dbraw/zinc/91/81/55/572918155.db2.gz RKDBXUUVYVBPNT-MRVPVSSYSA-N 0 0 198.266 1.726 10 0 ADAERN CCCCc1noc(CCCCO)n1 86324606 572918161 /nfs/dbraw/zinc/91/81/61/572918161.db2.gz CRYIQDXVWYOCPY-UHFFFAOYSA-N 0 0 198.266 1.727 10 0 ADAERN CCCCc1noc(C2CC(O)C2)n1 86324612 572918206 /nfs/dbraw/zinc/91/82/06/572918206.db2.gz QRJVIHUGUMVYLV-UHFFFAOYSA-N 0 0 196.250 1.651 10 0 ADAERN CCCC[C@H](O)[C@H]1CCC[C@H]1O 256108308 572918209 /nfs/dbraw/zinc/91/82/09/572918209.db2.gz JTZFISXWDUSGDL-KXUCPTDWSA-N 0 0 172.268 1.699 10 0 ADAERN C/C=C/[C@H](O)[C@H](CO)C1CCCC1 238058969 572918229 /nfs/dbraw/zinc/91/82/29/572918229.db2.gz GQOIOCHSCMOOQQ-UJYZRXPGSA-N 0 0 184.279 1.722 10 0 ADAERN O=C(CC[C@H]1CCCCO1)N1CC1 308189891 572918257 /nfs/dbraw/zinc/91/82/57/572918257.db2.gz MWKRYCWYOFKEMU-SECBINFHSA-N 0 0 183.251 1.178 10 0 ADAERN C/C=C/[C@H](O)C/C=C/[C@H](C)CCO 238054789 572918258 /nfs/dbraw/zinc/91/82/58/572918258.db2.gz QXZRDXQLCFFBSU-GQCPNVOPSA-N 0 0 184.279 1.888 10 0 ADAERN CCCCc1nccc(CO)n1 86324025 572918260 /nfs/dbraw/zinc/91/82/60/572918260.db2.gz XZIBNPWEDUSHBS-UHFFFAOYSA-N 0 0 166.224 1.312 10 0 ADAERN O=C(CC[C@@H]1CCCCO1)N1CC1 308189892 572918280 /nfs/dbraw/zinc/91/82/80/572918280.db2.gz MWKRYCWYOFKEMU-VIFPVBQESA-N 0 0 183.251 1.178 10 0 ADAERN C/C=C/[C@H](O)C[C@H](C)OC(C)=O 238056486 572918295 /nfs/dbraw/zinc/91/82/95/572918295.db2.gz JZRBNEXLZKISJG-OIAKKESJSA-N 0 0 172.224 1.265 10 0 ADAERN CCCCc1ncc(C[NH3+])cn1 86323981 572918340 /nfs/dbraw/zinc/91/83/40/572918340.db2.gz ZYPBFKYUBWFTHT-UHFFFAOYSA-N 0 0 165.240 1.278 10 0 ADAERN CCCCc1nc(C)cc(CO)n1 86324031 572918357 /nfs/dbraw/zinc/91/83/57/572918357.db2.gz MTANDDXUPNMFTP-UHFFFAOYSA-N 0 0 180.251 1.620 10 0 ADAERN O=C([O-])[C@@]1(CCC2CC2)CCC[NH2+]C1 86341352 572918378 /nfs/dbraw/zinc/91/83/78/572918378.db2.gz NTZDERBNZLCDDX-LLVKDONJSA-N 0 0 197.278 1.631 10 0 ADAERN CCCCc1nc(C)cc(C[NH3+])n1 86323962 572918438 /nfs/dbraw/zinc/91/84/38/572918438.db2.gz VQEGMCVDBJHARM-UHFFFAOYSA-N 0 0 179.267 1.586 10 0 ADAERN C/C=C/[C@H](O)[C@H](C)C(=O)N1CCCC1 238058609 572918466 /nfs/dbraw/zinc/91/84/66/572918466.db2.gz SLXWUBARLWESTD-YEXVBOHQSA-N 0 0 197.278 1.182 10 0 ADAERN CCCCCO[C@H]1C=C[C@H](O)CO1 308189553 572918467 /nfs/dbraw/zinc/91/84/67/572918467.db2.gz IISFMTPGFMIERK-VHSXEESVSA-N 0 0 186.251 1.467 10 0 ADAERN COCC[C@H](C)C(=O)N[C@H]1C[C@@H]1C 308189884 572918472 /nfs/dbraw/zinc/91/84/72/572918472.db2.gz MVYOBGBPULJAPX-CIUDSAMLSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)C[C@@H](C)[C@](C)(C[NH3+])C(=O)[O-] 308189349 572918484 /nfs/dbraw/zinc/91/84/84/572918484.db2.gz MPHRODTWUDHZNC-SCZZXKLOSA-N 0 0 187.283 1.718 10 0 ADAERN CCCCCC(=O)c1cn(C)nn1 308189297 572918510 /nfs/dbraw/zinc/91/85/10/572918510.db2.gz MLWPJZBIRWOVIY-UHFFFAOYSA-N 0 0 181.239 1.578 10 0 ADAERN CCCCc1nc(N)nc(C(C)C)n1 86324635 572918550 /nfs/dbraw/zinc/91/85/50/572918550.db2.gz CYKYZWIBLZHRGD-UHFFFAOYSA-N 0 0 194.282 1.920 10 0 ADAERN C/C=C/[C@H](CO)CCOC(C)=O 238052386 572918586 /nfs/dbraw/zinc/91/85/86/572918586.db2.gz YNSHXSBXDFSEKQ-NWALNABHSA-N 0 0 172.224 1.124 10 0 ADAERN CCCCc1noc([C@@H](C)[C@H](C)O)n1 86324324 572918822 /nfs/dbraw/zinc/91/88/22/572918822.db2.gz HPVQODNSYABPME-YUMQZZPRSA-N 0 0 198.266 1.897 10 0 ADAERN COc1cccc(C[C@@H](C)C(C)=O)n1 86353579 572920339 /nfs/dbraw/zinc/92/03/39/572920339.db2.gz JQDHGPBQHDJQAL-MRVPVSSYSA-N 0 0 193.246 1.858 10 0 ADAERN CC(C)C[C@@H](C)[C@@](C)(C[NH3+])C(=O)[O-] 308189348 572918617 /nfs/dbraw/zinc/91/86/17/572918617.db2.gz MPHRODTWUDHZNC-PSASIEDQSA-N 0 0 187.283 1.718 10 0 ADAERN CCCCc1noc(C(C)=O)n1 86324217 572918623 /nfs/dbraw/zinc/91/86/23/572918623.db2.gz LWTCGINISNWSSH-UHFFFAOYSA-N 0 0 168.196 1.615 10 0 ADAERN CCCCCO[C@H]1C=C[C@@H](O)CO1 308189551 572918625 /nfs/dbraw/zinc/91/86/25/572918625.db2.gz IISFMTPGFMIERK-NXEZZACHSA-N 0 0 186.251 1.467 10 0 ADAERN CCCCc1noc(CC[C@H](C)O)n1 86324381 572918656 /nfs/dbraw/zinc/91/86/56/572918656.db2.gz VWWIUDINKGVNOU-QMMMGPOBSA-N 0 0 198.266 1.726 10 0 ADAERN CCCCc1nc(CC)cc(NN)[nH+]1 86323802 572918666 /nfs/dbraw/zinc/91/86/66/572918666.db2.gz XBHQIIKXTOMTTJ-UHFFFAOYSA-N 0 0 194.282 1.667 10 0 ADAERN Cc1nc(C(=O)NC(C)C)oc1C 75907887 572918688 /nfs/dbraw/zinc/91/86/88/572918688.db2.gz LZFCSKLTJTUNFZ-UHFFFAOYSA-N 0 0 182.223 1.430 10 0 ADAERN CCCCc1noc(NCC)n1 86323869 572918696 /nfs/dbraw/zinc/91/86/96/572918696.db2.gz UFBNVZZVEMVBSE-UHFFFAOYSA-N 0 0 169.228 1.844 10 0 ADAERN CC(=O)C(CCCCCO)=C(C)O 238051970 572918697 /nfs/dbraw/zinc/91/86/97/572918697.db2.gz ABRPSLPMQTYHPW-UHFFFAOYSA-N 0 0 186.251 1.333 10 0 ADAERN CCONC(=O)NCCCC1CC1 308189637 572918830 /nfs/dbraw/zinc/91/88/30/572918830.db2.gz MQPMWKSTSMOSKT-UHFFFAOYSA-N 0 0 186.255 1.427 10 0 ADAERN CCCCc1noc(C[C@@H](O)CC)n1 86324354 572918719 /nfs/dbraw/zinc/91/87/19/572918719.db2.gz RKDBXUUVYVBPNT-QMMMGPOBSA-N 0 0 198.266 1.726 10 0 ADAERN C/C=C\[C@H](O)[C@@H](O)Cc1ccco1 308188902 572918723 /nfs/dbraw/zinc/91/87/23/572918723.db2.gz HRVWLWMEIMRDFP-JOEOVOKTSA-N 0 0 182.219 1.120 10 0 ADAERN CCCCc1noc(CC[C@@H](C)O)n1 86324378 572918753 /nfs/dbraw/zinc/91/87/53/572918753.db2.gz VWWIUDINKGVNOU-MRVPVSSYSA-N 0 0 198.266 1.726 10 0 ADAERN CCCCC[C@@H](O)c1cnn(C)n1 308189903 572918777 /nfs/dbraw/zinc/91/87/77/572918777.db2.gz MVPVHSDYVVKLQC-SECBINFHSA-N 0 0 183.255 1.429 10 0 ADAERN CC[C@H]1C[C@@H]1[NH2+]Cc1cc(C)no1 308189795 572918812 /nfs/dbraw/zinc/91/88/12/572918812.db2.gz IMDMNHCUVPICRQ-WPRPVWTQSA-N 0 0 180.251 1.871 10 0 ADAERN CCCCc1ncc(C[NH2+]CC)cn1 86323986 572918813 /nfs/dbraw/zinc/91/88/13/572918813.db2.gz FYELQHSJKSVUTJ-UHFFFAOYSA-N 0 0 193.294 1.929 10 0 ADAERN CCCCc1nccc(C[NH3+])n1 86323936 572918859 /nfs/dbraw/zinc/91/88/59/572918859.db2.gz YCABLEXQROOVAF-UHFFFAOYSA-N 0 0 165.240 1.278 10 0 ADAERN CC[C@H]1C[C@H]1[NH2+]Cc1cc(C)no1 308189794 572918884 /nfs/dbraw/zinc/91/88/84/572918884.db2.gz IMDMNHCUVPICRQ-WCBMZHEXSA-N 0 0 180.251 1.871 10 0 ADAERN CCCCc1noc(NCCOC)n1 86323887 572918892 /nfs/dbraw/zinc/91/88/92/572918892.db2.gz VNBDIYQFPYDOEV-UHFFFAOYSA-N 0 0 199.254 1.471 10 0 ADAERN CCCCc1noc(C[C@H](C)O)n1 86324316 572918925 /nfs/dbraw/zinc/91/89/25/572918925.db2.gz CKEMYUGGLVGHTG-ZETCQYMHSA-N 0 0 184.239 1.336 10 0 ADAERN CCCC[C@H](O)[C@@H]1CCC[C@H]1O 256108312 572918937 /nfs/dbraw/zinc/91/89/37/572918937.db2.gz JTZFISXWDUSGDL-LPEHRKFASA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)C[C@H](C)[C@](C)(C[NH3+])C(=O)[O-] 308189351 572918941 /nfs/dbraw/zinc/91/89/41/572918941.db2.gz MPHRODTWUDHZNC-WPRPVWTQSA-N 0 0 187.283 1.718 10 0 ADAERN CCCCc1ncc(CO)cn1 86324027 572918969 /nfs/dbraw/zinc/91/89/69/572918969.db2.gz HBEDIUANGYNNCI-UHFFFAOYSA-N 0 0 166.224 1.312 10 0 ADAERN C/C=C/[C@H](O)c1ccc(CCCO)o1 238060173 572919023 /nfs/dbraw/zinc/91/90/23/572919023.db2.gz QWGVAHRSCVGSIH-YWNRKNDBSA-N 0 0 196.246 1.814 10 0 ADAERN CCCCc1noc([C@H](C)O)n1 86324406 572919026 /nfs/dbraw/zinc/91/90/26/572919026.db2.gz NVTJIYQRJJTNFX-LURJTMIESA-N 0 0 170.212 1.466 10 0 ADAERN CC(=O)[C@H](O)SCc1ccccc1 238065320 572919031 /nfs/dbraw/zinc/91/90/31/572919031.db2.gz TWHVCFOCORNAEF-SNVBAGLBSA-N 0 0 196.271 1.827 10 0 ADAERN C[C@H]([C@@H](C(=O)[O-])[NH+](C)C)C(C)(C)C 308189952 572919045 /nfs/dbraw/zinc/91/90/45/572919045.db2.gz MWFIZWFOKAQWHP-SFYZADRCSA-N 0 0 187.283 1.683 10 0 ADAERN C[C@@H]([C@H](C(=O)[O-])[NH+](C)C)C(C)(C)C 308189950 572919056 /nfs/dbraw/zinc/91/90/56/572919056.db2.gz MWFIZWFOKAQWHP-JGVFFNPUSA-N 0 0 187.283 1.683 10 0 ADAERN CCCCc1nc(N)nc(C2CC2)n1 86324636 572919062 /nfs/dbraw/zinc/91/90/62/572919062.db2.gz GGOZGEDBSCCIDP-UHFFFAOYSA-N 0 0 192.266 1.674 10 0 ADAERN N=C(N)C(F)(F)c1ccccc1 116696211 572919069 /nfs/dbraw/zinc/91/90/69/572919069.db2.gz GBKIEMDPFHPJLL-UHFFFAOYSA-N 0 0 170.162 1.714 10 0 ADAERN C/C=C/[C@H](C)[C@@H](O)CCCO 238050481 572919076 /nfs/dbraw/zinc/91/90/76/572919076.db2.gz YWRSBFUGTHXROQ-KRALRXKRSA-N 0 0 158.241 1.332 10 0 ADAERN CCCCc1noc([C@H](C)[C@@H](C)O)n1 86324318 572919102 /nfs/dbraw/zinc/91/91/02/572919102.db2.gz HPVQODNSYABPME-HTQZYQBOSA-N 0 0 198.266 1.897 10 0 ADAERN C/C=C/[C@H](O)CC(=O)C[C@@H](O)/C=C/C 238055602 572919129 /nfs/dbraw/zinc/91/91/29/572919129.db2.gz NHJNMPHMSCZKDO-AYRDZAOQSA-N 0 0 198.262 1.210 10 0 ADAERN CC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C)no1 308189793 572919131 /nfs/dbraw/zinc/91/91/31/572919131.db2.gz IMDMNHCUVPICRQ-SCZZXKLOSA-N 0 0 180.251 1.871 10 0 ADAERN COCCONCC1(C)CCCC1 308189508 572919152 /nfs/dbraw/zinc/91/91/52/572919152.db2.gz IFGFTSYWAOCVDT-UHFFFAOYSA-N 0 0 187.283 1.734 10 0 ADAERN C=Cn1ccnc1C(=O)NC(C)C 75907658 572919180 /nfs/dbraw/zinc/91/91/80/572919180.db2.gz PJZDCTZTWILGBC-UHFFFAOYSA-N 0 0 179.223 1.122 10 0 ADAERN C/C=C/[C@H](O)C[C@@H](C)OC(C)=O 238056314 572919229 /nfs/dbraw/zinc/91/92/29/572919229.db2.gz JZRBNEXLZKISJG-HZMPTLLJSA-N 0 0 172.224 1.265 10 0 ADAERN CCCCc1nc(C)c(C[NH3+])c(C)n1 86324102 572919242 /nfs/dbraw/zinc/91/92/42/572919242.db2.gz CXSFVYRBNLLHCZ-UHFFFAOYSA-N 0 0 193.294 1.895 10 0 ADAERN CCCCc1nc(C)cc(C[NH2+]C)n1 86323966 572919495 /nfs/dbraw/zinc/91/94/95/572919495.db2.gz RJSYGOSSNDCCMC-UHFFFAOYSA-N 0 0 193.294 1.847 10 0 ADAERN CCCCc1nc(N)cc(COC)n1 86323596 572919271 /nfs/dbraw/zinc/91/92/71/572919271.db2.gz MZUKTPIKZJMZAH-UHFFFAOYSA-N 0 0 195.266 1.548 10 0 ADAERN CCCCCO[C@@H]1C=C[C@H](O)CO1 308189552 572919281 /nfs/dbraw/zinc/91/92/81/572919281.db2.gz IISFMTPGFMIERK-UWVGGRQHSA-N 0 0 186.251 1.467 10 0 ADAERN CC(C)NC(=O)c1nccn1C1CC1 75907577 572919304 /nfs/dbraw/zinc/91/93/04/572919304.db2.gz JEFUNAGYFHMBKZ-UHFFFAOYSA-N 0 0 193.250 1.356 10 0 ADAERN CCCCc1nccc(C[NH2+]C)n1 86323939 572919322 /nfs/dbraw/zinc/91/93/22/572919322.db2.gz KPPJWCDRFIBQME-UHFFFAOYSA-N 0 0 179.267 1.539 10 0 ADAERN C/C=C/[C@H](O)[C@@H](CO)C1CCCC1 238057358 572919324 /nfs/dbraw/zinc/91/93/24/572919324.db2.gz GQOIOCHSCMOOQQ-GGYDMKNQSA-N 0 0 184.279 1.722 10 0 ADAERN CCCCC(=O)[C@H](CC)C(=O)OC 86323368 572919328 /nfs/dbraw/zinc/91/93/28/572919328.db2.gz TVBUFMHPLHCAGQ-QMMMGPOBSA-N 0 0 186.251 1.945 10 0 ADAERN CCCCC(=O)[C@@H](CC)C(=O)OC 86323365 572919343 /nfs/dbraw/zinc/91/93/43/572919343.db2.gz TVBUFMHPLHCAGQ-MRVPVSSYSA-N 0 0 186.251 1.945 10 0 ADAERN CCCCc1ncc(C[NH2+]C)cn1 86323984 572919349 /nfs/dbraw/zinc/91/93/49/572919349.db2.gz VAUYDRKMWIUFFJ-UHFFFAOYSA-N 0 0 179.267 1.539 10 0 ADAERN C[C@H](CC(F)(F)F)N1CCNC1=O 235408895 572919351 /nfs/dbraw/zinc/91/93/51/572919351.db2.gz HPNJUFWNCDGIJJ-RXMQYKEDSA-N 0 0 196.172 1.353 10 0 ADAERN CCCCc1nc(N)nc(CC)n1 86324629 572919360 /nfs/dbraw/zinc/91/93/60/572919360.db2.gz UUCQHLZVRYPYLK-UHFFFAOYSA-N 0 0 180.255 1.359 10 0 ADAERN CCn1ncnc1C(O)(CC)CC 308189472 572919422 /nfs/dbraw/zinc/91/94/22/572919422.db2.gz ICXRGEDLCDLYHZ-UHFFFAOYSA-N 0 0 183.255 1.306 10 0 ADAERN CCCCc1nc(C)cc(C=O)n1 86323927 572919436 /nfs/dbraw/zinc/91/94/36/572919436.db2.gz RRGSIFFBMHMBFM-UHFFFAOYSA-N 0 0 178.235 1.940 10 0 ADAERN C/C=C/[C@H](O)C(=O)N(C(C)C)C(C)C 238054278 572919449 /nfs/dbraw/zinc/91/94/49/572919449.db2.gz FOAIMBOLTNXYKN-FGEFZZPRSA-N 0 0 199.294 1.569 10 0 ADAERN C/C=C(/C)C[C@@H](CO)C(C)(C)O 238060986 572919469 /nfs/dbraw/zinc/91/94/69/572919469.db2.gz SUKLJOUOHWGEAI-RDOCRHDPSA-N 0 0 172.268 1.722 10 0 ADAERN COCC[C@H](C)C(=O)N[C@@H]1C[C@H]1C 308189885 572919483 /nfs/dbraw/zinc/91/94/83/572919483.db2.gz MVYOBGBPULJAPX-DJLDLDEBSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@H](CCCCO)C(C)=O 86353805 572920298 /nfs/dbraw/zinc/92/02/98/572920298.db2.gz CNHJEYPJVNZEEK-SECBINFHSA-N 0 0 158.241 1.764 10 0 ADAERN CCCCc1nccc(C[NH2+]CC)n1 86323941 572919512 /nfs/dbraw/zinc/91/95/12/572919512.db2.gz CTUURZBYRVIMBR-UHFFFAOYSA-N 0 0 193.294 1.929 10 0 ADAERN C/C=C/c1nnc([C@@H](N)CC2CC2)o1 238069157 572919592 /nfs/dbraw/zinc/91/95/92/572919592.db2.gz ZBQIVSFNQCXJFK-SGJFDWMWSA-N 0 0 193.250 1.903 10 0 ADAERN Cc1nc(C(=O)NC(C)C)n(C)c1C 75907657 572919629 /nfs/dbraw/zinc/91/96/29/572919629.db2.gz CRNGXFKZVBYQSJ-UHFFFAOYSA-N 0 0 195.266 1.175 10 0 ADAERN COCC[C@H](C)C(=O)N[C@@H]1C[C@@H]1C 308189886 572919631 /nfs/dbraw/zinc/91/96/31/572919631.db2.gz MVYOBGBPULJAPX-XHNCKOQMSA-N 0 0 185.267 1.184 10 0 ADAERN CCCCCO[C@@H]1C=C[C@@H](O)CO1 308189554 572919651 /nfs/dbraw/zinc/91/96/51/572919651.db2.gz IISFMTPGFMIERK-ZJUUUORDSA-N 0 0 186.251 1.467 10 0 ADAERN CN1CCCC[C@@H]1[C@@H]([NH3+])c1cnoc1 257656531 572919663 /nfs/dbraw/zinc/91/96/63/572919663.db2.gz TWDNQWZKBMSEIT-ZJUUUORDSA-N 0 0 195.266 1.159 10 0 ADAERN C/C=C(/C)CC[C@H](O)C(C)(C)O 238060298 572919724 /nfs/dbraw/zinc/91/97/24/572919724.db2.gz VPJGDCTXZWAGSJ-RDOCRHDPSA-N 0 0 172.268 1.865 10 0 ADAERN CN1c2ccccc2[C@H]2CCC[NH2+][C@H]21 257656393 572919741 /nfs/dbraw/zinc/91/97/41/572919741.db2.gz QTGPVNXLXIYNKD-PWSUYJOCSA-N 0 0 188.274 1.930 10 0 ADAERN COCC[C@H](C)C(=O)N[C@H]1C[C@H]1C 308189887 572919768 /nfs/dbraw/zinc/91/97/68/572919768.db2.gz MVYOBGBPULJAPX-YIZRAAEISA-N 0 0 185.267 1.184 10 0 ADAERN Cc1cnc(C(=O)NC(C)C)s1 75907593 572919785 /nfs/dbraw/zinc/91/97/85/572919785.db2.gz JHXQPMUBBMXODB-UHFFFAOYSA-N 0 0 184.264 1.590 10 0 ADAERN C/C=C/[C@H](CO)CCCCO 238052333 572919806 /nfs/dbraw/zinc/91/98/06/572919806.db2.gz SBIOBWXDBODQDU-MAHOQKISSA-N 0 0 158.241 1.334 10 0 ADAERN CCCCC[C@@H]1O[C@H](O)CC[C@H]1O 256089743 572919819 /nfs/dbraw/zinc/91/98/19/572919819.db2.gz HLDRIBGVOXBOKI-UTLUCORTSA-N 0 0 188.267 1.425 10 0 ADAERN CN1CCCC[C@H]1[C@@H]([NH3+])c1cnoc1 257656529 572919829 /nfs/dbraw/zinc/91/98/29/572919829.db2.gz TWDNQWZKBMSEIT-UWVGGRQHSA-N 0 0 195.266 1.159 10 0 ADAERN CCOC[C@H](O)C[C@@H]1CCCC1=O 86354111 572919839 /nfs/dbraw/zinc/91/98/39/572919839.db2.gz PWSIMCRZKYKAEA-DTWKUNHWSA-N 0 0 186.251 1.143 10 0 ADAERN Cc1coc(C(=O)NC(C)C)n1 75907886 572919872 /nfs/dbraw/zinc/91/98/72/572919872.db2.gz ZHZKSEAHWLHAKK-UHFFFAOYSA-N 0 0 168.196 1.121 10 0 ADAERN CCOC[C@H](O)C[C@@H](CC)C(C)=O 86353894 572919892 /nfs/dbraw/zinc/91/98/92/572919892.db2.gz PRQHQQKZTHXIHC-NXEZZACHSA-N 0 0 188.267 1.389 10 0 ADAERN C/C=C/[C@H](O)CCC1OCCCO1 238055810 572919893 /nfs/dbraw/zinc/91/98/93/572919893.db2.gz OFEFOUKHFGQIIV-LXOKAJLYSA-N 0 0 186.251 1.467 10 0 ADAERN CC(C)NC(=O)c1nccn1C(C)C 75907722 572919915 /nfs/dbraw/zinc/91/99/15/572919915.db2.gz QBAVRJXZMZZRMK-UHFFFAOYSA-N 0 0 195.266 1.602 10 0 ADAERN C[C@@H](CC(=O)OCCF)n1cccc1 739325030 572919922 /nfs/dbraw/zinc/91/99/22/572919922.db2.gz JYTLZIAAMZDKJB-VIFPVBQESA-N 0 0 199.225 1.952 10 0 ADAERN COCC(=O)CCc1cscn1 86355892 572919924 /nfs/dbraw/zinc/91/99/24/572919924.db2.gz FGJRHAGHXMVRNR-UHFFFAOYSA-N 0 0 185.248 1.291 10 0 ADAERN CC(C)NC(=O)c1ccnn1C1CC1 75907862 572919931 /nfs/dbraw/zinc/91/99/31/572919931.db2.gz ZAZDEQURJVYRIJ-UHFFFAOYSA-N 0 0 193.250 1.356 10 0 ADAERN COCC(=O)CCCc1ccccn1 86355886 572920307 /nfs/dbraw/zinc/92/03/07/572920307.db2.gz FCNKCZFDOLUDNF-UHFFFAOYSA-N 0 0 193.246 1.620 10 0 ADAERN C/C=C/[C@H](C)[C@@H](O)CCCCO 238050455 572919940 /nfs/dbraw/zinc/91/99/40/572919940.db2.gz GZKVTLIJPJZCMN-YEXVBOHQSA-N 0 0 172.268 1.722 10 0 ADAERN COCC(=O)CCc1cccc(C)n1 86355959 572919943 /nfs/dbraw/zinc/91/99/43/572919943.db2.gz GZLIZTUYKIRHEQ-UHFFFAOYSA-N 0 0 193.246 1.538 10 0 ADAERN C/C=C/[C@H](O)[C@@H](C)C(=O)N1CCCC1 238057023 572919954 /nfs/dbraw/zinc/91/99/54/572919954.db2.gz SLXWUBARLWESTD-OJKCRXNLSA-N 0 0 197.278 1.182 10 0 ADAERN CCCCC[C@H](O)c1cnn(C)n1 308189905 572919966 /nfs/dbraw/zinc/91/99/66/572919966.db2.gz MVPVHSDYVVKLQC-VIFPVBQESA-N 0 0 183.255 1.429 10 0 ADAERN C/C=C(/C)CC[C@@H](O)C(C)(C)O 238060024 572919981 /nfs/dbraw/zinc/91/99/81/572919981.db2.gz VPJGDCTXZWAGSJ-BZJXQOFCSA-N 0 0 172.268 1.865 10 0 ADAERN C[C@H](CC(=O)OCCF)n1cccc1 739325023 572919993 /nfs/dbraw/zinc/91/99/93/572919993.db2.gz JYTLZIAAMZDKJB-SECBINFHSA-N 0 0 199.225 1.952 10 0 ADAERN COCC(=O)CC[C@H]1CCCCO1 86356010 572920007 /nfs/dbraw/zinc/92/00/07/572920007.db2.gz MCAIMTZGHVDEQA-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)Cc1ccco1 308188903 572920021 /nfs/dbraw/zinc/92/00/21/572920021.db2.gz HRVWLWMEIMRDFP-VBWGBGESSA-N 0 0 182.219 1.120 10 0 ADAERN CC[C@@H](C[C@H](O)C(F)(F)F)C(C)=O 86353698 572920040 /nfs/dbraw/zinc/92/00/40/572920040.db2.gz NTIWNDXKBHOGBQ-BQBZGAKWSA-N 0 0 198.184 1.915 10 0 ADAERN CC[C@H](CCOCCO)C(C)=O 86353779 572920099 /nfs/dbraw/zinc/92/00/99/572920099.db2.gz YVJRRZBIFDISDU-SECBINFHSA-N 0 0 174.240 1.001 10 0 ADAERN CC(=O)NC(C)(C)CC(=O)C(C)(C)C 238069333 572920100 /nfs/dbraw/zinc/92/01/00/572920100.db2.gz WSKLYXUMOUGRLG-UHFFFAOYSA-N 0 0 199.294 1.906 10 0 ADAERN CC(=O)[C@H](C)C[C@@H](O)C(F)(F)F 86353346 572920104 /nfs/dbraw/zinc/92/01/04/572920104.db2.gz WMBCZEMMXXEOQI-INEUFUBQSA-N 0 0 184.157 1.525 10 0 ADAERN CC[C@@H](Cc1ncccn1)C(C)=O 86353866 572920110 /nfs/dbraw/zinc/92/01/10/572920110.db2.gz JCTGZYCYQSOSOK-VIFPVBQESA-N 0 0 178.235 1.634 10 0 ADAERN CC(N)=CC(=O)OCCC(C)(C)C 238048963 572920111 /nfs/dbraw/zinc/92/01/11/572920111.db2.gz HQIPTVMGTNBMLD-FPLPWBNLSA-N 0 0 185.267 1.828 10 0 ADAERN COc1cnn(C)c1[C@@H](O)CC1CC1 123515784 572920184 /nfs/dbraw/zinc/92/01/84/572920184.db2.gz YGMBWSKLVGMPQY-QMMMGPOBSA-N 0 0 196.250 1.262 10 0 ADAERN NC(=O)Cc1nc(CC2CC2)cs1 308189888 572920139 /nfs/dbraw/zinc/92/01/39/572920139.db2.gz MWBWRTJUOFLDSB-UHFFFAOYSA-N 0 0 196.275 1.123 10 0 ADAERN CC[C@H](C[C@H](O)C(F)(F)F)C(C)=O 86353700 572920140 /nfs/dbraw/zinc/92/01/40/572920140.db2.gz NTIWNDXKBHOGBQ-RQJHMYQMSA-N 0 0 198.184 1.915 10 0 ADAERN CC[C@@H](O)CCC(=O)C(C)C 86353224 572920326 /nfs/dbraw/zinc/92/03/26/572920326.db2.gz FKEDYHGZPNFKDH-MRVPVSSYSA-N 0 0 158.241 1.763 10 0 ADAERN COCC(=O)CC[C@@H]1CCOC1 86356002 572920190 /nfs/dbraw/zinc/92/01/90/572920190.db2.gz XDDMZVNDJPCXOE-MRVPVSSYSA-N 0 0 172.224 1.019 10 0 ADAERN CN1c2ccccc2[C@@H]2CCC[NH2+][C@H]21 257656392 572920213 /nfs/dbraw/zinc/92/02/13/572920213.db2.gz QTGPVNXLXIYNKD-JQWIXIFHSA-N 0 0 188.274 1.930 10 0 ADAERN CC(C)C[C@H](C)[C@@](C)(C[NH3+])C(=O)[O-] 308189350 572920236 /nfs/dbraw/zinc/92/02/36/572920236.db2.gz MPHRODTWUDHZNC-WCBMZHEXSA-N 0 0 187.283 1.718 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)Cc1ccco1 308188901 572920238 /nfs/dbraw/zinc/92/02/38/572920238.db2.gz HRVWLWMEIMRDFP-BMRYVVEKSA-N 0 0 182.219 1.120 10 0 ADAERN O=C1CCCC[C@H]1CCOCCO 86354253 572920251 /nfs/dbraw/zinc/92/02/51/572920251.db2.gz HYCNRFUBOIAWQN-VIFPVBQESA-N 0 0 186.251 1.145 10 0 ADAERN CCCCC[C@@H]1O[C@H](O)CC[C@@H]1O 256089739 572920262 /nfs/dbraw/zinc/92/02/62/572920262.db2.gz HLDRIBGVOXBOKI-GUBZILKMSA-N 0 0 188.267 1.425 10 0 ADAERN COCC(=O)CC[C@H]1CCOC1 86356004 572920333 /nfs/dbraw/zinc/92/03/33/572920333.db2.gz XDDMZVNDJPCXOE-QMMMGPOBSA-N 0 0 172.224 1.019 10 0 ADAERN CC[C@H](C[C@@H](O)C(F)(F)F)C(C)=O 86353704 572920334 /nfs/dbraw/zinc/92/03/34/572920334.db2.gz NTIWNDXKBHOGBQ-RNFRBKRXSA-N 0 0 198.184 1.915 10 0 ADAERN COC(=O)[C@@H]1[C@H](C[C@H](C)O)C1(C)C 308190911 572920414 /nfs/dbraw/zinc/92/04/14/572920414.db2.gz JNKCQJKGTMBRDB-FXQIFTODSA-N 0 0 186.251 1.203 10 0 ADAERN C[C@]12CCCC[C@H]1NC2=O 72481859 572920423 /nfs/dbraw/zinc/92/04/23/572920423.db2.gz XXBLLYBHNMXEHC-SVRRBLITSA-N 0 0 139.198 1.065 10 0 ADAERN CCOC[C@H](O)CCC(=O)C(C)C 86353215 572920448 /nfs/dbraw/zinc/92/04/48/572920448.db2.gz VGKSVAOGFPPRBR-SECBINFHSA-N 0 0 188.267 1.389 10 0 ADAERN CCOC[C@@H](O)C[C@H](CC)C(C)=O 86353888 572920453 /nfs/dbraw/zinc/92/04/53/572920453.db2.gz PRQHQQKZTHXIHC-UWVGGRQHSA-N 0 0 188.267 1.389 10 0 ADAERN CC[C@H](C(C)=O)[C@@H](C)COC 86353662 572920457 /nfs/dbraw/zinc/92/04/57/572920457.db2.gz WQWIVMUKSPMGEO-CBAPKCEASA-N 0 0 158.241 1.884 10 0 ADAERN CCOC[C@@H](O)C[C@H]1CCCC1=O 86354117 572920511 /nfs/dbraw/zinc/92/05/11/572920511.db2.gz PWSIMCRZKYKAEA-BDAKNGLRSA-N 0 0 186.251 1.143 10 0 ADAERN CC[C@H](Cc1ncccn1)C(C)=O 86353867 572920513 /nfs/dbraw/zinc/92/05/13/572920513.db2.gz JCTGZYCYQSOSOK-SECBINFHSA-N 0 0 178.235 1.634 10 0 ADAERN CCOC[C@H](O)C[C@H]1CCCC1=O 86354115 572920519 /nfs/dbraw/zinc/92/05/19/572920519.db2.gz PWSIMCRZKYKAEA-RKDXNWHRSA-N 0 0 186.251 1.143 10 0 ADAERN C[C@@H]1SCC[C@]12C[C@@H]2CO 235411788 572920521 /nfs/dbraw/zinc/92/05/21/572920521.db2.gz ODCHYJOQXWBJDQ-RNJXMRFFSA-N 0 0 158.266 1.510 10 0 ADAERN Cc1coc(C(=O)NC(C)(C)C)n1 75908994 572920534 /nfs/dbraw/zinc/92/05/34/572920534.db2.gz QZTUNHPYTLXRBB-UHFFFAOYSA-N 0 0 182.223 1.511 10 0 ADAERN CCCc1c(N)noc1CCOCC 86326133 572920538 /nfs/dbraw/zinc/92/05/38/572920538.db2.gz SXPOLFYZIJWCJZ-UHFFFAOYSA-N 0 0 198.266 1.788 10 0 ADAERN CC[C@H](O)CCC(=O)C(C)C 86353222 572920540 /nfs/dbraw/zinc/92/05/40/572920540.db2.gz FKEDYHGZPNFKDH-QMMMGPOBSA-N 0 0 158.241 1.763 10 0 ADAERN CCOC[C@@H](O)CCC(=O)C(C)C 86353216 572920549 /nfs/dbraw/zinc/92/05/49/572920549.db2.gz VGKSVAOGFPPRBR-VIFPVBQESA-N 0 0 188.267 1.389 10 0 ADAERN CCSCCn1ccc(=O)c(C)c1 308192896 572920557 /nfs/dbraw/zinc/92/05/57/572920557.db2.gz KPDILPDFFDTFEZ-UHFFFAOYSA-N 0 0 197.303 1.910 10 0 ADAERN CC[C@@H](C(C)=O)[C@@H](C)COC 86353664 572920559 /nfs/dbraw/zinc/92/05/59/572920559.db2.gz WQWIVMUKSPMGEO-IONNQARKSA-N 0 0 158.241 1.884 10 0 ADAERN Cc1c(F)ccc(C(N)=S)c1F 75915104 572920585 /nfs/dbraw/zinc/92/05/85/572920585.db2.gz AWJAARZYMIAWMW-UHFFFAOYSA-N 0 0 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CCC[C@H](O)C[C@H]1CCC[C@@H]1O 86358818 572921877 /nfs/dbraw/zinc/92/18/77/572921877.db2.gz WXVMYNXENVFHPU-UTLUCORTSA-N 0 0 172.268 1.699 10 0 ADAERN CCC(O)(CC)[C@H](O)c1ccc[nH]1 308192547 572921890 /nfs/dbraw/zinc/92/18/90/572921890.db2.gz KMRWIJCILLGEJQ-SECBINFHSA-N 0 0 183.251 1.599 10 0 ADAERN O=C(N[C@@H](C(F)F)C1CC1)C1CC1 308193049 572921898 /nfs/dbraw/zinc/92/18/98/572921898.db2.gz PQMQFLBNLCJQKY-SSDOTTSWSA-N 0 0 189.205 1.556 10 0 ADAERN CCC(=O)[C@H](C)CCCCO 86356974 572921902 /nfs/dbraw/zinc/92/19/02/572921902.db2.gz WVLLXCGFNRMLKU-MRVPVSSYSA-N 0 0 158.241 1.764 10 0 ADAERN C[C@H]1C/C(=C/C(=O)[O-])CC[N@@H+]1C 83963265 572921903 /nfs/dbraw/zinc/92/19/03/572921903.db2.gz WAUPOROOQIKMIU-DGUDBNDOSA-N 0 0 169.224 1.112 10 0 ADAERN CC[C@@H](CCCCO)[C@H](C)O 86358363 572921920 /nfs/dbraw/zinc/92/19/20/572921920.db2.gz HTSFINLJHZDOKT-IUCAKERBSA-N 0 0 160.257 1.556 10 0 ADAERN CCCc1ncnc(OCC)c1N 308192549 572921927 /nfs/dbraw/zinc/92/19/27/572921927.db2.gz KMSPXHWEFVRUDL-UHFFFAOYSA-N 0 0 181.239 1.410 10 0 ADAERN CC(=O)C[C@]12CCC[C@H]1CC2=O 196703568 572922173 /nfs/dbraw/zinc/92/21/73/572922173.db2.gz LHXSULYOIVRISF-WCBMZHEXSA-N 0 0 166.220 1.725 10 0 ADAERN COC[C@H](O)C[C@@H](C(C)=O)C(C)C 86356538 572921951 /nfs/dbraw/zinc/92/19/51/572921951.db2.gz GFHZJULEKIGQIG-NXEZZACHSA-N 0 0 188.267 1.245 10 0 ADAERN CCOC(CNn1cccc1)OCC 88008800 572921957 /nfs/dbraw/zinc/92/19/57/572921957.db2.gz DTFDUWHCJIHXMY-UHFFFAOYSA-N 0 0 198.266 1.431 10 0 ADAERN CC[C@@H](O)CC[C@@H](O)C(C)(C)C 86359126 572922277 /nfs/dbraw/zinc/92/22/77/572922277.db2.gz KWQMLNOHXOWJSV-RKDXNWHRSA-N 0 0 174.284 1.945 10 0 ADAERN Cc1nonc1CCC(=O)C1CC1 86356750 572921991 /nfs/dbraw/zinc/92/19/91/572921991.db2.gz UIYNZJPKHDPRHU-UHFFFAOYSA-N 0 0 180.207 1.290 10 0 ADAERN CC[C@@H](Cc1ncccn1)[C@@H](C)O 86358587 572921996 /nfs/dbraw/zinc/92/19/96/572921996.db2.gz ADYOFQWWOOILNG-BDAKNGLRSA-N 0 0 180.251 1.426 10 0 ADAERN CC(C)(C)C[C@@](C)(O)COCCO 238077107 572922001 /nfs/dbraw/zinc/92/20/01/572922001.db2.gz SFEVGWREXASVHQ-SNVBAGLBSA-N 0 0 190.283 1.183 10 0 ADAERN CC[C@H](CCC(C)(C)O)[C@@H](C)O 86358612 572922003 /nfs/dbraw/zinc/92/20/03/572922003.db2.gz HALJJGRGKONDJQ-RKDXNWHRSA-N 0 0 174.284 1.945 10 0 ADAERN FC(F)[C@@H](N[C@H]1CCOC1)C1CC1 308190458 572922036 /nfs/dbraw/zinc/92/20/36/572922036.db2.gz NJIJJYJITIOMIC-YUMQZZPRSA-N 0 0 191.221 1.409 10 0 ADAERN O=C(CC[C@H](O)C(F)(F)F)C1CC1 86356674 572922037 /nfs/dbraw/zinc/92/20/37/572922037.db2.gz INTVDSLVIAZIGK-ZETCQYMHSA-N 0 0 196.168 1.669 10 0 ADAERN CCC(=O)[C@@H](C)[C@@H](C)COC 86356855 572922041 /nfs/dbraw/zinc/92/20/41/572922041.db2.gz SCDZBPAPMDNDLN-YUMQZZPRSA-N 0 0 158.241 1.884 10 0 ADAERN C[C@@]12CCC(=O)O[C@@H]1CCC2=O 196704952 572922051 /nfs/dbraw/zinc/92/20/51/572922051.db2.gz USGXIBYXSXYATD-APPZFPTMSA-N 0 0 168.192 1.061 10 0 ADAERN CC[C@H](O)CCc1nonc1C 86359293 572922062 /nfs/dbraw/zinc/92/20/62/572922062.db2.gz KWNYULVUYNUUNN-ZETCQYMHSA-N 0 0 170.212 1.082 10 0 ADAERN CC[C@H](Cc1nonc1C)[C@H](C)O 86358526 572922076 /nfs/dbraw/zinc/92/20/76/572922076.db2.gz LFTBCLFTJRFQLJ-JGVFFNPUSA-N 0 0 184.239 1.328 10 0 ADAERN CC(=O)[C@@H](CCCO)C(C)C 86356527 572923039 /nfs/dbraw/zinc/92/30/39/572923039.db2.gz UGSWCTQNLMSQLF-VIFPVBQESA-N 0 0 158.241 1.620 10 0 ADAERN CCON(C)C(=O)[C@@H](OC)C(C)C 308190502 572922079 /nfs/dbraw/zinc/92/20/79/572922079.db2.gz NLOPHNUETXEVCR-QMMMGPOBSA-N 0 0 189.255 1.067 10 0 ADAERN CCOC[C@@H](O)C[C@@H](C)C(=O)CC 86357048 572922082 /nfs/dbraw/zinc/92/20/82/572922082.db2.gz CVZMOTANTUUFJU-BDAKNGLRSA-N 0 0 188.267 1.389 10 0 ADAERN CC(C)n1ccnc1C(=O)NC1CC1 75908232 572922085 /nfs/dbraw/zinc/92/20/85/572922085.db2.gz ABZDLWBYEBZEDA-UHFFFAOYSA-N 0 0 193.250 1.356 10 0 ADAERN Cc1cc2ncc3c(n2n1)CCCC3 72451599 572922097 /nfs/dbraw/zinc/92/20/97/572922097.db2.gz CZACOHWUPBHLCU-UHFFFAOYSA-N 0 0 187.246 1.917 10 0 ADAERN C[C@@]12CCC(=O)O[C@H]1CCC2=O 196704969 572922099 /nfs/dbraw/zinc/92/20/99/572922099.db2.gz USGXIBYXSXYATD-CBAPKCEASA-N 0 0 168.192 1.061 10 0 ADAERN CC[C@H](Cc1ncccn1)[C@H](C)O 86358593 572922208 /nfs/dbraw/zinc/92/22/08/572922208.db2.gz ADYOFQWWOOILNG-DTWKUNHWSA-N 0 0 180.251 1.426 10 0 ADAERN C[C@@H](O)[C@H](C)CCCCCO 86360074 572924498 /nfs/dbraw/zinc/92/44/98/572924498.db2.gz PNLWHUVOOFMLEM-RKDXNWHRSA-N 0 0 160.257 1.556 10 0 ADAERN COc1ccc([C@@H](C)[NH3+])c(F)c1F 75925254 572922110 /nfs/dbraw/zinc/92/21/10/572922110.db2.gz QQWZCYSZBFXIMP-RXMQYKEDSA-N 0 0 187.189 1.993 10 0 ADAERN CC[C@@H](O)CCC(=O)C1CC1 86356786 572922111 /nfs/dbraw/zinc/92/21/11/572922111.db2.gz JURFTIFDJULIIP-MRVPVSSYSA-N 0 0 156.225 1.517 10 0 ADAERN CC[C@H](C[C@@H]1CCOC1)[C@@H](C)O 86358394 572922133 /nfs/dbraw/zinc/92/21/33/572922133.db2.gz MLHNTWRBSAERTN-KXUCPTDWSA-N 0 0 172.268 1.820 10 0 ADAERN COc1cccc(CC[C@H](C)O)n1 86358161 572922135 /nfs/dbraw/zinc/92/21/35/572922135.db2.gz XJGGNKVRAMNKPA-QMMMGPOBSA-N 0 0 181.235 1.404 10 0 ADAERN CCC(=O)[C@@H](C)C[C@@H](O)C(F)(F)F 86356879 572922137 /nfs/dbraw/zinc/92/21/37/572922137.db2.gz MQENWEFGJZIGRP-CAHLUQPWSA-N 0 0 198.184 1.915 10 0 ADAERN [NH3+]CCc1cccc(C(=O)[O-])c1F 75927751 572922181 /nfs/dbraw/zinc/92/21/81/572922181.db2.gz RQDQZXPDMWPEHD-UHFFFAOYSA-N 0 0 183.182 1.025 10 0 ADAERN CC(C)(C)CNC(=O)c1ncco1 75910358 572922197 /nfs/dbraw/zinc/92/21/97/572922197.db2.gz RYIFUSONOCLYQD-UHFFFAOYSA-N 0 0 182.223 1.451 10 0 ADAERN CCC[C@@H](O)C[C@H](C)COC 86359007 572922205 /nfs/dbraw/zinc/92/22/05/572922205.db2.gz LSYIYLGNYNINEA-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CCC(=O)[C@@H](C)C[C@@H](O)CC 86357064 572922338 /nfs/dbraw/zinc/92/23/38/572922338.db2.gz ZJYCSOVDFFGFOU-YUMQZZPRSA-N 0 0 158.241 1.763 10 0 ADAERN CCN[C@@H](C(=O)OCC)C(F)(F)F 75928899 572922216 /nfs/dbraw/zinc/92/22/16/572922216.db2.gz FTQQTUKBIZINCW-YFKPBYRVSA-N 0 0 199.172 1.090 10 0 ADAERN CCC[C@H](O)C[C@@H]1CCC[C@@H]1O 86358814 572922225 /nfs/dbraw/zinc/92/22/25/572922225.db2.gz WXVMYNXENVFHPU-GUBZILKMSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@]12CCC(=O)O[C@H]1CCC2=O 196704976 572922237 /nfs/dbraw/zinc/92/22/37/572922237.db2.gz USGXIBYXSXYATD-IONNQARKSA-N 0 0 168.192 1.061 10 0 ADAERN COCC(=O)CCCC(C)(C)O 86356053 572922343 /nfs/dbraw/zinc/92/23/43/572922343.db2.gz NWTCDNWGVLGOFL-UHFFFAOYSA-N 0 0 174.240 1.143 10 0 ADAERN Cc1nnc([C@H]2CCCCN2C)o1 72381243 572922255 /nfs/dbraw/zinc/92/22/55/572922255.db2.gz JEUZKAVPNBEBLJ-MRVPVSSYSA-N 0 0 181.239 1.535 10 0 ADAERN CC[S@](N)(=O)=Nc1ccc(C)nc1 404766618 572922267 /nfs/dbraw/zinc/92/22/67/572922267.db2.gz SFLIWBYRLQORQI-CYBMUJFWSA-N 0 0 199.279 1.383 10 0 ADAERN CC[C@@H](O)CC[C@H](O)C(F)(F)F 86359286 572922273 /nfs/dbraw/zinc/92/22/73/572922273.db2.gz FTJDULBPCGMSRB-RITPCOANSA-N 0 0 186.173 1.461 10 0 ADAERN COC(=O)[C@@H]1[C@H](C[C@@H](C)O)C1(C)C 308190909 572922275 /nfs/dbraw/zinc/92/22/75/572922275.db2.gz JNKCQJKGTMBRDB-CSMHCCOUSA-N 0 0 186.251 1.203 10 0 ADAERN CC(C)(C)CNC(=O)c1ncccn1 75910185 572922291 /nfs/dbraw/zinc/92/22/91/572922291.db2.gz KHTUVZASQCHLSZ-UHFFFAOYSA-N 0 0 193.250 1.253 10 0 ADAERN CC[C@H](O)CC[C@H](O)COC(C)C 86359343 572922331 /nfs/dbraw/zinc/92/23/31/572922331.db2.gz PWHWJJYHDSNPQJ-UWVGGRQHSA-N 0 0 190.283 1.323 10 0 ADAERN O=C(CCc1ncccn1)C1CC1 86356766 572922375 /nfs/dbraw/zinc/92/23/75/572922375.db2.gz JCMAJFUXTIMOKS-UHFFFAOYSA-N 0 0 176.219 1.388 10 0 ADAERN CC[C@@H](O)CC[C@@H](O)C(F)(F)F 86359288 572922351 /nfs/dbraw/zinc/92/23/51/572922351.db2.gz FTJDULBPCGMSRB-PHDIDXHHSA-N 0 0 186.173 1.461 10 0 ADAERN CCC(=O)[C@H](C)[C@@H](C)COC 86356857 572922358 /nfs/dbraw/zinc/92/23/58/572922358.db2.gz SCDZBPAPMDNDLN-JGVFFNPUSA-N 0 0 158.241 1.884 10 0 ADAERN O=C(CCCCCO)C1CC1 86356727 572922363 /nfs/dbraw/zinc/92/23/63/572922363.db2.gz IVWMAYUJMQNDCD-UHFFFAOYSA-N 0 0 156.225 1.518 10 0 ADAERN C[C@@H]1C/C(=C/C(=O)[O-])CC[N@@H+]1C 83963264 572922370 /nfs/dbraw/zinc/92/23/70/572922370.db2.gz WAUPOROOQIKMIU-UQBZRGDZSA-N 0 0 169.224 1.112 10 0 ADAERN COCC(=O)CCc1ccccn1 86356041 572922372 /nfs/dbraw/zinc/92/23/72/572922372.db2.gz XFILQIXNFCQOHV-UHFFFAOYSA-N 0 0 179.219 1.230 10 0 ADAERN CC(C)(C)C[C@@](C)(CO)OCCO 238076917 572922376 /nfs/dbraw/zinc/92/23/76/572922376.db2.gz MOMFIBJPPKNNNO-JTQLQIEISA-N 0 0 190.283 1.183 10 0 ADAERN CC[C@H](O)CCC1(O)CCCC1 86359255 572922431 /nfs/dbraw/zinc/92/24/31/572922431.db2.gz MKZQZEQUNPBKTL-VIFPVBQESA-N 0 0 172.268 1.843 10 0 ADAERN Cc1coc(C(=O)NCC(C)C)n1 75909515 572922409 /nfs/dbraw/zinc/92/24/09/572922409.db2.gz GNBAWCFYLDPKAV-UHFFFAOYSA-N 0 0 182.223 1.369 10 0 ADAERN CCC[C@@H](O)C[C@@H](C)COC 86359001 572922413 /nfs/dbraw/zinc/92/24/13/572922413.db2.gz LSYIYLGNYNINEA-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN O=C(CCc1ccccn1)C1CC1 86356761 572922423 /nfs/dbraw/zinc/92/24/23/572922423.db2.gz LDAWQUVKLVOJFG-UHFFFAOYSA-N 0 0 175.231 1.993 10 0 ADAERN CO[C@@H]1C[C@@H](C)CC1=O 196700678 572922441 /nfs/dbraw/zinc/92/24/41/572922441.db2.gz ICLZBTHBKDBHGB-CAHLUQPWSA-N 0 0 128.171 1.000 10 0 ADAERN CC(O)=CC(=O)C[C@H](O)C(C)(C)C 238079983 572922429 /nfs/dbraw/zinc/92/24/29/572922429.db2.gz FXVHJRWCSGZTSI-VIFPVBQESA-N 0 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CCN[C@H](c1cn(C)cn1)C(F)F 308194393 572923258 /nfs/dbraw/zinc/92/32/58/572923258.db2.gz PVEFYAHIZDOUAL-SSDOTTSWSA-N 0 0 189.209 1.336 10 0 ADAERN CC(C)(O)CCCC(=O)C1CC1 86356774 572923269 /nfs/dbraw/zinc/92/32/69/572923269.db2.gz XGBFGMCEZCAYOO-UHFFFAOYSA-N 0 0 170.252 1.907 10 0 ADAERN CC(C)(C)[C@@H](O)CCCCCO 86359092 572923286 /nfs/dbraw/zinc/92/32/86/572923286.db2.gz OIWMOATVOCSWRO-VIFPVBQESA-N 0 0 174.284 1.946 10 0 ADAERN CC(C)(C)CCC[C@H]([NH3+])C(=O)[O-] 83963635 572923297 /nfs/dbraw/zinc/92/32/97/572923297.db2.gz ZIINUXCYNVSQLG-ZETCQYMHSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@H]1C(=O)C2CC1C2 196708706 572923299 /nfs/dbraw/zinc/92/32/99/572923299.db2.gz HVTLASKLSQHQNL-IISSFJTQSA-N 0 0 110.156 1.231 10 0 ADAERN CC[C@H](O)CC[C@H](O)C(C)(C)C 86359121 572923303 /nfs/dbraw/zinc/92/33/03/572923303.db2.gz KWQMLNOHXOWJSV-IUCAKERBSA-N 0 0 174.284 1.945 10 0 ADAERN OCCCCC[C@H]1CCC[C@@H]1O 86357699 572923308 /nfs/dbraw/zinc/92/33/08/572923308.db2.gz SZEAGTBBGWIBPN-UWVGGRQHSA-N 0 0 172.268 1.700 10 0 ADAERN CCOC[C@H](O)C[C@@H](C)C(=O)CC 86357052 572923316 /nfs/dbraw/zinc/92/33/16/572923316.db2.gz CVZMOTANTUUFJU-RKDXNWHRSA-N 0 0 188.267 1.389 10 0 ADAERN COC[C@@H](O)C[C@@H](C(C)=O)C(C)C 86356533 572923320 /nfs/dbraw/zinc/92/33/20/572923320.db2.gz GFHZJULEKIGQIG-VHSXEESVSA-N 0 0 188.267 1.245 10 0 ADAERN CC[C@@H](Cc1ncccn1)[C@H](C)O 86358591 572923331 /nfs/dbraw/zinc/92/33/31/572923331.db2.gz ADYOFQWWOOILNG-IUCAKERBSA-N 0 0 180.251 1.426 10 0 ADAERN CC[C@@H](O)CCc1nonc1C 86359294 572923354 /nfs/dbraw/zinc/92/33/54/572923354.db2.gz KWNYULVUYNUUNN-SSDOTTSWSA-N 0 0 170.212 1.082 10 0 ADAERN COc1cccc(CC[C@@H](C)O)n1 86358164 572923363 /nfs/dbraw/zinc/92/33/63/572923363.db2.gz XJGGNKVRAMNKPA-MRVPVSSYSA-N 0 0 181.235 1.404 10 0 ADAERN COC[C@@H](O)C[C@H](C(C)=O)C(C)C 86356535 572923379 /nfs/dbraw/zinc/92/33/79/572923379.db2.gz GFHZJULEKIGQIG-UWVGGRQHSA-N 0 0 188.267 1.245 10 0 ADAERN CCC(=O)[C@@H](C)CCOCCO 86356945 572923393 /nfs/dbraw/zinc/92/33/93/572923393.db2.gz NDJCXIQGFRQAAZ-QMMMGPOBSA-N 0 0 174.240 1.001 10 0 ADAERN CCC(=O)[C@H](C)C[C@H](O)CC 86357062 572923413 /nfs/dbraw/zinc/92/34/13/572923413.db2.gz ZJYCSOVDFFGFOU-HTQZYQBOSA-N 0 0 158.241 1.763 10 0 ADAERN CSc1cccc(N(C)CCO)c1 308194629 572923431 /nfs/dbraw/zinc/92/34/31/572923431.db2.gz RCZXHNWYAQQMSR-UHFFFAOYSA-N 0 0 197.303 1.837 10 0 ADAERN CC[C@@H](O)CCC1(O)CCCC1 86359256 572923455 /nfs/dbraw/zinc/92/34/55/572923455.db2.gz MKZQZEQUNPBKTL-SECBINFHSA-N 0 0 172.268 1.843 10 0 ADAERN CCC(=O)[C@@H](C)C[C@H](O)C(F)(F)F 86356875 572923461 /nfs/dbraw/zinc/92/34/61/572923461.db2.gz MQENWEFGJZIGRP-FSPLSTOPSA-N 0 0 198.184 1.915 10 0 ADAERN C=CO[C@@H]1CCCO[C@H]1C[C@@H](C)O 308194334 572923462 /nfs/dbraw/zinc/92/34/62/572923462.db2.gz LNXMIBLNZQLRAA-BBBLOLIVSA-N 0 0 186.251 1.465 10 0 ADAERN CC(C)(C)[C@H](O)CCCOCCO 86359070 572923464 /nfs/dbraw/zinc/92/34/64/572923464.db2.gz LIPFVQRMOLGXOE-SECBINFHSA-N 0 0 190.283 1.183 10 0 ADAERN CC(C)(C)[C@@H](O)CCc1ncccn1 86359183 572923475 /nfs/dbraw/zinc/92/34/75/572923475.db2.gz IFOIWYBOBWMTCF-VIFPVBQESA-N 0 0 194.278 1.816 10 0 ADAERN COCC(=O)CCCc1ccncc1 86356055 572923483 /nfs/dbraw/zinc/92/34/83/572923483.db2.gz VQUODHNTHGJGNI-UHFFFAOYSA-N 0 0 193.246 1.620 10 0 ADAERN CCC(=O)[C@@H](C)C[C@H](O)CC 86357066 572923491 /nfs/dbraw/zinc/92/34/91/572923491.db2.gz ZJYCSOVDFFGFOU-JGVFFNPUSA-N 0 0 158.241 1.763 10 0 ADAERN CC[C@H](C[C@H]1CCOC1)[C@@H](C)O 86358398 572923520 /nfs/dbraw/zinc/92/35/20/572923520.db2.gz MLHNTWRBSAERTN-OPRDCNLKSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@H](O)CC[C@@H](O)C(F)(F)F 86359287 572923559 /nfs/dbraw/zinc/92/35/59/572923559.db2.gz FTJDULBPCGMSRB-NTSWFWBYSA-N 0 0 186.173 1.461 10 0 ADAERN CCC[C@H](C)[C@H](NN)C1=COCC1 308194529 572923587 /nfs/dbraw/zinc/92/35/87/572923587.db2.gz LQRKZLVGZXPUFK-WPRPVWTQSA-N 0 0 184.283 1.559 10 0 ADAERN CSc1ncncc1[C@@H](O)C(C)C 141126855 572923588 /nfs/dbraw/zinc/92/35/88/572923588.db2.gz DNLLLQNWQGMARP-QMMMGPOBSA-N 0 0 198.291 1.888 10 0 ADAERN CN[C@@H](C(=O)OC)[C@@H](C)C(C)(C)C 308194400 572923590 /nfs/dbraw/zinc/92/35/90/572923590.db2.gz PVRIRMMIPGUOTG-HTQZYQBOSA-N 0 0 187.283 1.430 10 0 ADAERN CCC[C@@H](C)[C@H](NN)C1=COCC1 308194527 572923610 /nfs/dbraw/zinc/92/36/10/572923610.db2.gz LQRKZLVGZXPUFK-SCZZXKLOSA-N 0 0 184.283 1.559 10 0 ADAERN CCON(C)C(=O)c1c[nH]cc1C 308193287 572923626 /nfs/dbraw/zinc/92/36/26/572923626.db2.gz PYOAZCIUGRVIEG-UHFFFAOYSA-N 0 0 182.223 1.347 10 0 ADAERN CC(=O)CCP(C)(C)=O 141118375 572923627 /nfs/dbraw/zinc/92/36/27/572923627.db2.gz RIGHEJIZWPJKJO-UHFFFAOYSA-N 0 0 148.142 1.588 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@@H](CC1CC1)C(=O)[O-] 308194447 572923631 /nfs/dbraw/zinc/92/36/31/572923631.db2.gz PYEOAEZUKXVGQG-CBAPKCEASA-N 0 0 183.251 1.334 10 0 ADAERN O=C1OCC[C@H]1CCCF 141142119 572923782 /nfs/dbraw/zinc/92/37/82/572923782.db2.gz WGNUKSQYLXRVFS-ZCFIWIBFSA-N 0 0 146.161 1.299 10 0 ADAERN COC[C@@H](C)C[C@H](O)C1CC1 86363283 572923806 /nfs/dbraw/zinc/92/38/06/572923806.db2.gz MOXNFGOVPRIJGN-CBAPKCEASA-N 0 0 158.241 1.430 10 0 ADAERN COCC[C@@H](CO)c1ccccc1F 86369315 572923810 /nfs/dbraw/zinc/92/38/10/572923810.db2.gz YMYGLZDTGXTZBB-VIFPVBQESA-N 0 0 198.237 1.938 10 0 ADAERN C[C@H](C(=O)N(C)C)c1cccc(N)c1 235416083 572924920 /nfs/dbraw/zinc/92/49/20/572924920.db2.gz HVYQFVYBSHLQTO-QMMMGPOBSA-N 0 0 192.262 1.461 10 0 ADAERN C[C@@H]1c2ccc(N)cc2CC[N@H+]1C 141200195 572923816 /nfs/dbraw/zinc/92/38/16/572923816.db2.gz PVIDUVADVHYWRV-MRVPVSSYSA-N 0 0 176.263 1.818 10 0 ADAERN COC[C@H](O)CCc1cscn1 86362345 572923822 /nfs/dbraw/zinc/92/38/22/572923822.db2.gz ZQQNZBPPNYMHQA-MRVPVSSYSA-N 0 0 187.264 1.083 10 0 ADAERN CC[C@H](O)[C@H](C)C[C@@H]1CCOC1 86363452 572923826 /nfs/dbraw/zinc/92/38/26/572923826.db2.gz SYKNVDBQPNPHJD-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN O=C(CCOCC(F)F)OC1CC1 308193300 572923828 /nfs/dbraw/zinc/92/38/28/572923828.db2.gz PZLXXCICZCJYBW-UHFFFAOYSA-N 0 0 194.177 1.364 10 0 ADAERN CC[C@@H](O)CC[C@H](O)COC(C)C 86359344 572923833 /nfs/dbraw/zinc/92/38/33/572923833.db2.gz PWHWJJYHDSNPQJ-ZJUUUORDSA-N 0 0 190.283 1.323 10 0 ADAERN CC(C)C(C[C@@H]([NH3+])C(=O)[O-])C(C)C 308193744 572923835 /nfs/dbraw/zinc/92/38/35/572923835.db2.gz PHXRVVAGVXNDBM-SECBINFHSA-N 0 0 187.283 1.717 10 0 ADAERN CCC(=O)[C@]12CC=CC[C@H]1O2 141194492 572923842 /nfs/dbraw/zinc/92/38/42/572923842.db2.gz LSFWDFKKMLUPNK-RKDXNWHRSA-N 0 0 152.193 1.453 10 0 ADAERN COCC[C@H](CO)c1cccc(F)c1 86367478 572923850 /nfs/dbraw/zinc/92/38/50/572923850.db2.gz DUFVXPMRLREWDW-SNVBAGLBSA-N 0 0 198.237 1.938 10 0 ADAERN CN[C@H](C(=O)OC)[C@H](C)C(C)(C)C 308194403 572923851 /nfs/dbraw/zinc/92/38/51/572923851.db2.gz PVRIRMMIPGUOTG-YUMQZZPRSA-N 0 0 187.283 1.430 10 0 ADAERN CC[C@H](O)C[C@@H](C(C)C)[C@H](C)O 252605598 572924926 /nfs/dbraw/zinc/92/49/26/572924926.db2.gz PVDSBWKUNWNTOO-GUBZILKMSA-N 0 0 174.284 1.800 10 0 ADAERN CCC[C@H](C)[C@@H](NN)C1=COCC1 308194528 572923895 /nfs/dbraw/zinc/92/38/95/572923895.db2.gz LQRKZLVGZXPUFK-WCBMZHEXSA-N 0 0 184.283 1.559 10 0 ADAERN Cc1cc2c(cc1N)OC(=O)[C@@H]2C 141182216 572923897 /nfs/dbraw/zinc/92/38/97/572923897.db2.gz MCDCHCVHASAHDJ-ZCFIWIBFSA-N 0 0 177.203 1.600 10 0 ADAERN CCc1c[nH]n2nc(C3CC3)nc12 141117925 572923903 /nfs/dbraw/zinc/92/39/03/572923903.db2.gz SLYMEFRFVBYQEE-UHFFFAOYSA-N 0 0 176.223 1.497 10 0 ADAERN O[C@H](CCc1ccncc1)C1CC1 86363263 572923904 /nfs/dbraw/zinc/92/39/04/572923904.db2.gz HRIVSTWTYYBTHX-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN CC[C@@H](O)[C@@H](C)CCC(C)(C)O 86363630 572923915 /nfs/dbraw/zinc/92/39/15/572923915.db2.gz RHKBCUHJNLPNBN-DTWKUNHWSA-N 0 0 174.284 1.945 10 0 ADAERN COCC[C@@H](CO)c1ccc(F)cc1 86365228 572923931 /nfs/dbraw/zinc/92/39/31/572923931.db2.gz SBIINSYXHLJUDW-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN CC[C@H](O)[C@H](C)[C@@H](C)COC 86363696 572923939 /nfs/dbraw/zinc/92/39/39/572923939.db2.gz HSOYDDWWSZGFNW-YIZRAAEISA-N 0 0 160.257 1.676 10 0 ADAERN COC[C@@H](O)CCC1CCC1 86362279 572924930 /nfs/dbraw/zinc/92/49/30/572924930.db2.gz OYVCEDJZRZOWEP-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)[C@@H](CCCO)[C@@H](C)O 86362670 572923961 /nfs/dbraw/zinc/92/39/61/572923961.db2.gz DCYVPJABFUCCPX-RKDXNWHRSA-N 0 0 160.257 1.412 10 0 ADAERN C[C@@H](CCCCCO)[C@@H](C)O 86360072 572923987 /nfs/dbraw/zinc/92/39/87/572923987.db2.gz PNLWHUVOOFMLEM-DTWKUNHWSA-N 0 0 160.257 1.556 10 0 ADAERN CCC[C@@H](C)[C@@H](NN)C1=COCC1 308194526 572924012 /nfs/dbraw/zinc/92/40/12/572924012.db2.gz LQRKZLVGZXPUFK-PSASIEDQSA-N 0 0 184.283 1.559 10 0 ADAERN CC(C)OC(=O)c1ccc(C[NH3+])cn1 88012625 572924013 /nfs/dbraw/zinc/92/40/13/572924013.db2.gz BCSBISILDVWZTB-UHFFFAOYSA-N 0 0 194.234 1.106 10 0 ADAERN CC[C@@H](O)CC[C@@H](O)C1CC1 86363122 572924014 /nfs/dbraw/zinc/92/40/14/572924014.db2.gz UUTUENHMOBOICV-RKDXNWHRSA-N 0 0 158.241 1.308 10 0 ADAERN CC(C)[C@@H](O)CCCCCO 86359389 572924040 /nfs/dbraw/zinc/92/40/40/572924040.db2.gz QYPIEMKOXWHEEM-VIFPVBQESA-N 0 0 160.257 1.556 10 0 ADAERN COC[C@H](O)CC[C@@H]1CCCCO1 86362269 572924058 /nfs/dbraw/zinc/92/40/58/572924058.db2.gz ABSBGWIBWOTSFJ-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1ncccn1 86363610 572924934 /nfs/dbraw/zinc/92/49/34/572924934.db2.gz SBASBZSQYNYZFA-DTWKUNHWSA-N 0 0 180.251 1.426 10 0 ADAERN O[C@H](CCC1(O)CCCC1)C1CC1 86363130 572924062 /nfs/dbraw/zinc/92/40/62/572924062.db2.gz RSENGZKSRCUUCK-SNVBAGLBSA-N 0 0 184.279 1.843 10 0 ADAERN CCC[C@](C(=O)[O-])(C1CC1)[NH+](C)C 308193502 572924068 /nfs/dbraw/zinc/92/40/68/572924068.db2.gz PGZSOXYNLKZPPJ-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@H](O)CC[C@H](O)C1CC1 86363116 572924070 /nfs/dbraw/zinc/92/40/70/572924070.db2.gz UUTUENHMOBOICV-IUCAKERBSA-N 0 0 158.241 1.308 10 0 ADAERN COC[C@H](C)[C@H](C(C)C)[C@@H](C)O 86362978 572924073 /nfs/dbraw/zinc/92/40/73/572924073.db2.gz DQHUBKSGEZOOFW-AEJSXWLSSA-N 0 0 174.284 1.922 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@H](CC1CC1)C(=O)[O-] 308194448 572924075 /nfs/dbraw/zinc/92/40/75/572924075.db2.gz PYEOAEZUKXVGQG-IONNQARKSA-N 0 0 183.251 1.334 10 0 ADAERN CC[C@@H](O)[C@@H](C)CCCCCO 86363488 572924080 /nfs/dbraw/zinc/92/40/80/572924080.db2.gz XTWNFRAURSGBIE-VHSXEESVSA-N 0 0 174.284 1.946 10 0 ADAERN CC[C@H](O)CC[C@@H](O)COC(C)C 86359345 572924936 /nfs/dbraw/zinc/92/49/36/572924936.db2.gz PWHWJJYHDSNPQJ-VHSXEESVSA-N 0 0 190.283 1.323 10 0 ADAERN CC[C@H](O)C[C@H](C)[C@H](O)CC 86363459 572924096 /nfs/dbraw/zinc/92/40/96/572924096.db2.gz RZNJGIHWWYBWII-XHNCKOQMSA-N 0 0 160.257 1.554 10 0 ADAERN CCC1=CC[C@@H](O)CC1 141211094 572924098 /nfs/dbraw/zinc/92/40/98/572924098.db2.gz FGXDNDHDFNGONI-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN CC(C)[C@H](Cc1ncccn1)[C@H](C)O 86362888 572924099 /nfs/dbraw/zinc/92/40/99/572924099.db2.gz PRMSXVNKOFUQCF-UWVGGRQHSA-N 0 0 194.278 1.672 10 0 ADAERN COc1ccc2c(cnn2CCO)c1 75937360 572924106 /nfs/dbraw/zinc/92/41/06/572924106.db2.gz YUKTYVVEHKMQFZ-UHFFFAOYSA-N 0 0 192.218 1.037 10 0 ADAERN COC[C@H](O)C[C@@H](C(C)C)[C@@H](C)O 86362968 572924122 /nfs/dbraw/zinc/92/41/22/572924122.db2.gz IJCKSOMSPAATPX-BBBLOLIVSA-N 0 0 190.283 1.037 10 0 ADAERN CC(C)OC[C@H](O)C[C@H](C)[C@@H](C)O 86360346 572924126 /nfs/dbraw/zinc/92/41/26/572924126.db2.gz DWQCACDNZYRVTK-IVZWLZJFSA-N 0 0 190.283 1.179 10 0 ADAERN O=C1CC(C(=O)OCC(F)(F)F)C1 308194626 572924131 /nfs/dbraw/zinc/92/41/31/572924131.db2.gz RCYYYKCRQCNXBG-UHFFFAOYSA-N 0 0 196.124 1.071 10 0 ADAERN C[C@@H](O)[C@H]1CON=C1c1ccccc1 141215298 572924132 /nfs/dbraw/zinc/92/41/32/572924132.db2.gz WXNXLKZOODKBMX-PSASIEDQSA-N 0 0 191.230 1.418 10 0 ADAERN CC[C@H](O)C[C@H](C(C)C)[C@@H](C)O 86362705 572924135 /nfs/dbraw/zinc/92/41/35/572924135.db2.gz PVDSBWKUNWNTOO-KXUCPTDWSA-N 0 0 174.284 1.800 10 0 ADAERN CC(C)CCOCCC(CO)CO 86370402 572924145 /nfs/dbraw/zinc/92/41/45/572924145.db2.gz KZHFWKQOBPVUGO-UHFFFAOYSA-N 0 0 190.283 1.040 10 0 ADAERN CC(C)[C@@H](CCOCCO)[C@@H](C)O 86362590 572924154 /nfs/dbraw/zinc/92/41/54/572924154.db2.gz FBZISNKINUNJLV-NXEZZACHSA-N 0 0 190.283 1.038 10 0 ADAERN CC[C@@]1(COC)CCC[C@H](CO)O1 308194224 572924160 /nfs/dbraw/zinc/92/41/60/572924160.db2.gz 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/nfs/dbraw/zinc/92/42/48/572924248.db2.gz NFFBOJLRWMOUQQ-SNVBAGLBSA-N 0 0 172.268 1.700 10 0 ADAERN CC[C@@H](O)[C@H](C)CCCCCO 86363493 572924251 /nfs/dbraw/zinc/92/42/51/572924251.db2.gz XTWNFRAURSGBIE-NXEZZACHSA-N 0 0 174.284 1.946 10 0 ADAERN O=C(NCCC1CC1)N1CCCO1 308194597 572924255 /nfs/dbraw/zinc/92/42/55/572924255.db2.gz RBCVEVPWAPSWDB-UHFFFAOYSA-N 0 0 184.239 1.133 10 0 ADAERN CC(C)[C@@H](CCCO)[C@H](C)O 86362673 572924273 /nfs/dbraw/zinc/92/42/73/572924273.db2.gz DCYVPJABFUCCPX-DTWKUNHWSA-N 0 0 160.257 1.412 10 0 ADAERN CC1=C(C)CC(O)C1 141103605 572924287 /nfs/dbraw/zinc/92/42/87/572924287.db2.gz GISDKVSRAJIWLX-UHFFFAOYSA-N 0 0 112.172 1.478 10 0 ADAERN CC(=O)CCn1ncc2c1CCCC2 75945285 572924301 /nfs/dbraw/zinc/92/43/01/572924301.db2.gz PNXWCJWWHGKPOS-UHFFFAOYSA-N 0 0 192.262 1.741 10 0 ADAERN CC[C@@H](O)[C@H](C)Cc1nonc1C 86363554 572924312 /nfs/dbraw/zinc/92/43/12/572924312.db2.gz BTNHALYVWJCPIP-HZGVNTEJSA-N 0 0 184.239 1.328 10 0 ADAERN CC(C)CC(N)=CC(N)=S 141208913 572924316 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572924522 /nfs/dbraw/zinc/92/45/22/572924522.db2.gz NKPANLWKCHFZJH-BDAKNGLRSA-N 0 0 198.266 1.574 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@H](CCCO)C1 86361533 572924538 /nfs/dbraw/zinc/92/45/38/572924538.db2.gz BIBYXJDMTVVAHY-MXWKQRLJSA-N 0 0 186.295 1.946 10 0 ADAERN CO[C@H]1CCc2c(cnn2C(C)C)C1 75945141 572924548 /nfs/dbraw/zinc/92/45/48/572924548.db2.gz HPHOUWOAEGCLLN-JTQLQIEISA-N 0 0 194.278 1.968 10 0 ADAERN CC[C@@H](O)[C@H](C)Cc1ncccn1 86363612 572925329 /nfs/dbraw/zinc/92/53/29/572925329.db2.gz SBASBZSQYNYZFA-RKDXNWHRSA-N 0 0 180.251 1.426 10 0 ADAERN CNOCCC(C)(C)C 199363900 572924555 /nfs/dbraw/zinc/92/45/55/572924555.db2.gz BMDFKSYFEYCVLC-UHFFFAOYSA-N 0 0 131.219 1.574 10 0 ADAERN CC[C@]1(C)NC(=O)[C@@](C)(CC)N1 141137401 572924601 /nfs/dbraw/zinc/92/46/01/572924601.db2.gz XDFSLMSBCYMGDK-RKDXNWHRSA-N 0 0 170.256 1.001 10 0 ADAERN C[C@H](O)[C@@H](C)CCCCCO 86360076 572924729 /nfs/dbraw/zinc/92/47/29/572924729.db2.gz PNLWHUVOOFMLEM-IUCAKERBSA-N 0 0 160.257 1.556 10 0 ADAERN 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192.218 1.591 10 0 ADAERN CC(C)[C@@H](O)CCc1ncccn1 86359539 572924736 /nfs/dbraw/zinc/92/47/36/572924736.db2.gz VFCRIENENJFFSQ-VIFPVBQESA-N 0 0 180.251 1.426 10 0 ADAERN FCCn1cnc(C[NH2+]C2CC2)c1 308194743 572924700 /nfs/dbraw/zinc/92/47/00/572924700.db2.gz QCFIJRIBMFPOIH-UHFFFAOYSA-N 0 0 183.230 1.105 10 0 ADAERN Nc1c(F)cc(F)c(N)c1F 141147474 572924707 /nfs/dbraw/zinc/92/47/07/572924707.db2.gz VPEFZYDGHXJRDR-UHFFFAOYSA-N 0 0 162.114 1.268 10 0 ADAERN C[C@H](O)[C@H](C)CCOC(F)(F)F 86360389 572924714 /nfs/dbraw/zinc/92/47/14/572924714.db2.gz LGZHUPSRTJZQTF-RITPCOANSA-N 0 0 186.173 1.930 10 0 ADAERN CC[C@H](O)[C@H](C)Cc1nonc1C 86363553 572924725 /nfs/dbraw/zinc/92/47/25/572924725.db2.gz BTNHALYVWJCPIP-MUWHJKNJSA-N 0 0 184.239 1.328 10 0 ADAERN CCCCS[C@H](C)O 141194111 572925342 /nfs/dbraw/zinc/92/53/42/572925342.db2.gz TUADVWCHTOAKQA-ZCFIWIBFSA-N 0 0 134.244 1.858 10 0 ADAERN COC[C@@H](O)CCCC1CC1 86362182 572924755 /nfs/dbraw/zinc/92/47/55/572924755.db2.gz XFJZGJNBCPHBOH-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CCCOC(=O)N(CCO)C(C)C 308194383 572924756 /nfs/dbraw/zinc/92/47/56/572924756.db2.gz PTSBBJAPBALIHQ-UHFFFAOYSA-N 0 0 189.255 1.236 10 0 ADAERN CC(C)COC(=O)[C@@H](N)CC1CC1 308193503 572924760 /nfs/dbraw/zinc/92/47/60/572924760.db2.gz PHEBYYKMHUCNPX-VIFPVBQESA-N 0 0 185.267 1.313 10 0 ADAERN CC[C@H](O)[C@H](C)Cc1ncccn1 86363611 572924780 /nfs/dbraw/zinc/92/47/80/572924780.db2.gz SBASBZSQYNYZFA-BDAKNGLRSA-N 0 0 180.251 1.426 10 0 ADAERN COC[C@H](O)CCCc1ccncc1 86362126 572924793 /nfs/dbraw/zinc/92/47/93/572924793.db2.gz XCKHCZFLAVSQAU-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN COC[C@H](O)CCC1(O)CCCC1 86362184 572924797 /nfs/dbraw/zinc/92/47/97/572924797.db2.gz MSSCCRBOWFYNCD-SECBINFHSA-N 0 0 188.267 1.079 10 0 ADAERN O[C@@H](CC[C@@H](O)C1CC1)C(F)(F)F 86363174 572924801 /nfs/dbraw/zinc/92/48/01/572924801.db2.gz VFKKRFDHLDLZDL-RQJHMYQMSA-N 0 0 198.184 1.461 10 0 ADAERN COc1cccc(C[C@@H](C)[C@@H](C)O)n1 86360180 572924805 /nfs/dbraw/zinc/92/48/05/572924805.db2.gz MUZTVBOUTBKHEV-RKDXNWHRSA-N 0 0 195.262 1.650 10 0 ADAERN OCCn1ncc2ccc(F)cc21 75937373 572924809 /nfs/dbraw/zinc/92/48/09/572924809.db2.gz FHYMKVZUFZBYPJ-UHFFFAOYSA-N 0 0 180.182 1.168 10 0 ADAERN CC(C)OC[C@H](O)C[C@@H](C)[C@@H](C)O 86360342 572925343 /nfs/dbraw/zinc/92/53/43/572925343.db2.gz DWQCACDNZYRVTK-OPRDCNLKSA-N 0 0 190.283 1.179 10 0 ADAERN CCOC[C@H](O)CC[C@H](O)C(C)C 86359478 572924811 /nfs/dbraw/zinc/92/48/11/572924811.db2.gz XCASXWDYZBEKJZ-ZJUUUORDSA-N 0 0 190.283 1.181 10 0 ADAERN CC(C)(C)Cn1cc(CCCO)cn1 238086789 572924820 /nfs/dbraw/zinc/92/48/20/572924820.db2.gz JBXICZFPLPFYAP-UHFFFAOYSA-N 0 0 196.294 1.854 10 0 ADAERN COC[C@H](C)C[C@@H](O)C1CC1 86363288 572924821 /nfs/dbraw/zinc/92/48/21/572924821.db2.gz MOXNFGOVPRIJGN-VXNVDRBHSA-N 0 0 158.241 1.430 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1nonc1C 86363548 572924824 /nfs/dbraw/zinc/92/48/24/572924824.db2.gz BTNHALYVWJCPIP-RCOVLWMOSA-N 0 0 184.239 1.328 10 0 ADAERN CC(C)[C@H](CCCCO)[C@@H](C)O 86362655 572924828 /nfs/dbraw/zinc/92/48/28/572924828.db2.gz CJMKMGAGGPBFSC-ZJUUUORDSA-N 0 0 174.284 1.802 10 0 ADAERN CC(C)(C)CCC(CO)CO 86370333 572924841 /nfs/dbraw/zinc/92/48/41/572924841.db2.gz MSUQUKHCTIHPFS-UHFFFAOYSA-N 0 0 160.257 1.414 10 0 ADAERN COC[C@H](C)C[C@@H](O)C(C)C 86359578 572925345 /nfs/dbraw/zinc/92/53/45/572925345.db2.gz WWHIAFZZHPRXSM-RKDXNWHRSA-N 0 0 160.257 1.676 10 0 ADAERN O[C@@H](CCC1(O)CCCC1)C1CC1 86363128 572924861 /nfs/dbraw/zinc/92/48/61/572924861.db2.gz RSENGZKSRCUUCK-JTQLQIEISA-N 0 0 184.279 1.843 10 0 ADAERN CC(C)[C@H](O)CCCCCO 86359387 572924864 /nfs/dbraw/zinc/92/48/64/572924864.db2.gz QYPIEMKOXWHEEM-SECBINFHSA-N 0 0 160.257 1.556 10 0 ADAERN CC[C@@H](O)CC[C@@H](O)C(C)C 86359421 572924867 /nfs/dbraw/zinc/92/48/67/572924867.db2.gz UFCYPELRVCWIOA-RKDXNWHRSA-N 0 0 160.257 1.554 10 0 ADAERN COC[C@H](O)CCCc1cccnc1 86362248 572924871 /nfs/dbraw/zinc/92/48/71/572924871.db2.gz AXVHIWMSBHPNNW-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN COC[C@H](O)CCCC1CC1 86362180 572924894 /nfs/dbraw/zinc/92/48/94/572924894.db2.gz XFJZGJNBCPHBOH-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@@H](O)CCc1cccc(C)n1 86362224 572924903 /nfs/dbraw/zinc/92/49/03/572924903.db2.gz DULVBEDIVJTJCC-NSHDSACASA-N 0 0 195.262 1.330 10 0 ADAERN COC[C@H](C)[C@@H](C(C)C)[C@@H](C)O 86362980 572925352 /nfs/dbraw/zinc/92/53/52/572925352.db2.gz DQHUBKSGEZOOFW-IVZWLZJFSA-N 0 0 174.284 1.922 10 0 ADAERN CC[C@]1(C)NC(=O)[C@](C)(CC)N1 141137771 572924917 /nfs/dbraw/zinc/92/49/17/572924917.db2.gz XDFSLMSBCYMGDK-DTWKUNHWSA-N 0 0 170.256 1.001 10 0 ADAERN CCC[C@H](C)CC(CO)CO 86370420 572924952 /nfs/dbraw/zinc/92/49/52/572924952.db2.gz HAVIJOVPODVILQ-QMMMGPOBSA-N 0 0 160.257 1.414 10 0 ADAERN CC[C@H](O)[C@@H](C)CCCCCO 86363487 572924969 /nfs/dbraw/zinc/92/49/69/572924969.db2.gz XTWNFRAURSGBIE-UWVGGRQHSA-N 0 0 174.284 1.946 10 0 ADAERN COC[C@@H](O)CCCc1ccncc1 86362128 572924981 /nfs/dbraw/zinc/92/49/81/572924981.db2.gz XCKHCZFLAVSQAU-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN COc1cccc(C[C@H](C)[C@@H](C)O)n1 86360179 572924984 /nfs/dbraw/zinc/92/49/84/572924984.db2.gz MUZTVBOUTBKHEV-DTWKUNHWSA-N 0 0 195.262 1.650 10 0 ADAERN C[C@@H](O)[C@@H]1CON=C1c1ccccc1 141214901 572925010 /nfs/dbraw/zinc/92/50/10/572925010.db2.gz WXNXLKZOODKBMX-SCZZXKLOSA-N 0 0 191.230 1.418 10 0 ADAERN CC(C)[C@@H](CCCCO)[C@H](C)O 86362657 572925015 /nfs/dbraw/zinc/92/50/15/572925015.db2.gz CJMKMGAGGPBFSC-VHSXEESVSA-N 0 0 174.284 1.802 10 0 ADAERN COC[C@H](O)CCCC(F)(F)F 86362228 572925017 /nfs/dbraw/zinc/92/50/17/572925017.db2.gz VQJJWEMHFWJAPE-ZCFIWIBFSA-N 0 0 186.173 1.726 10 0 ADAERN OCCCc1ccc2cccn2c1 141099616 572925018 /nfs/dbraw/zinc/92/50/18/572925018.db2.gz FJSOESLXUFWLBH-UHFFFAOYSA-N 0 0 175.231 1.864 10 0 ADAERN COC[C@H](O)CC[C@H]1CCCCO1 86362273 572925020 /nfs/dbraw/zinc/92/50/20/572925020.db2.gz ABSBGWIBWOTSFJ-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CC(C)[C@@H](CC(C)(C)O)[C@@H](C)O 86362599 572925444 /nfs/dbraw/zinc/92/54/44/572925444.db2.gz STSKDQFZIMZWCC-RKDXNWHRSA-N 0 0 174.284 1.800 10 0 ADAERN COC[C@H](O)CCc1ccccn1 86362335 572925028 /nfs/dbraw/zinc/92/50/28/572925028.db2.gz FORBZDVUFNDPFT-SNVBAGLBSA-N 0 0 181.235 1.022 10 0 ADAERN CCC[C@@H](C)CC(CO)CO 86370418 572925045 /nfs/dbraw/zinc/92/50/45/572925045.db2.gz HAVIJOVPODVILQ-MRVPVSSYSA-N 0 0 160.257 1.414 10 0 ADAERN CC(C)[C@@H](CC(C)(C)O)[C@H](C)O 86362603 572925048 /nfs/dbraw/zinc/92/50/48/572925048.db2.gz STSKDQFZIMZWCC-DTWKUNHWSA-N 0 0 174.284 1.800 10 0 ADAERN CC(=O)CC(C)(C)CNC(C)=O 238086093 572925053 /nfs/dbraw/zinc/92/50/53/572925053.db2.gz SCICKSWDHQHWLF-UHFFFAOYSA-N 0 0 171.240 1.128 10 0 ADAERN COC[C@H](C)C[C@H](O)C1CC1 86363285 572925058 /nfs/dbraw/zinc/92/50/58/572925058.db2.gz MOXNFGOVPRIJGN-APPZFPTMSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)[C@@H](CCCCO)[C@@H](C)O 86362653 572925062 /nfs/dbraw/zinc/92/50/62/572925062.db2.gz CJMKMGAGGPBFSC-NXEZZACHSA-N 0 0 174.284 1.802 10 0 ADAERN COC[C@@H](C)C[C@@H](O)C1CC1 86363286 572925065 /nfs/dbraw/zinc/92/50/65/572925065.db2.gz MOXNFGOVPRIJGN-IONNQARKSA-N 0 0 158.241 1.430 10 0 ADAERN CC[C@H](C)S[C@H](C)C(N)=O 57622822 572925073 /nfs/dbraw/zinc/92/50/73/572925073.db2.gz XTUHLAQLFOKSRH-NTSWFWBYSA-N 0 0 161.270 1.392 10 0 ADAERN Cc1cc(C)cc(CC(CO)CO)c1 86370426 572925076 /nfs/dbraw/zinc/92/50/76/572925076.db2.gz IUEUZVRBLVHRGR-UHFFFAOYSA-N 0 0 194.274 1.447 10 0 ADAERN OCC(CO)CCc1ccsc1 86370270 572925449 /nfs/dbraw/zinc/92/54/49/572925449.db2.gz VVWBTTVENLDUPM-UHFFFAOYSA-N 0 0 186.276 1.282 10 0 ADAERN O[C@@H](CC[C@H](O)C(F)(F)F)C1CC1 86363175 572925091 /nfs/dbraw/zinc/92/50/91/572925091.db2.gz VFKKRFDHLDLZDL-BQBZGAKWSA-N 0 0 198.184 1.461 10 0 ADAERN O[C@H](CCc1ncccn1)C1CC1 86363243 572925103 /nfs/dbraw/zinc/92/51/03/572925103.db2.gz FFINEKLGXJBXIA-SECBINFHSA-N 0 0 178.235 1.180 10 0 ADAERN CC[C@H](O)[C@H](C)CCCCCO 86363490 572925112 /nfs/dbraw/zinc/92/51/12/572925112.db2.gz XTWNFRAURSGBIE-ZJUUUORDSA-N 0 0 174.284 1.946 10 0 ADAERN Cn1cc(C(C)(C)C)cc(N)c1=O 141105766 572925124 /nfs/dbraw/zinc/92/51/24/572925124.db2.gz IXGGMIRNAHOBOY-UHFFFAOYSA-N 0 0 180.251 1.265 10 0 ADAERN COC[C@H](O)CCCc1ccccn1 86362308 572925152 /nfs/dbraw/zinc/92/51/52/572925152.db2.gz OKKYEWSZVOKPDX-LLVKDONJSA-N 0 0 195.262 1.412 10 0 ADAERN COC[C@@H](C)C[C@@H](O)C(C)C 86359582 572925451 /nfs/dbraw/zinc/92/54/51/572925451.db2.gz WWHIAFZZHPRXSM-DTWKUNHWSA-N 0 0 160.257 1.676 10 0 ADAERN COC[C@@H](O)CCCC(F)(F)F 86362229 572925156 /nfs/dbraw/zinc/92/51/56/572925156.db2.gz VQJJWEMHFWJAPE-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN O[C@@H](CCc1cscn1)C1CC1 86363306 572925161 /nfs/dbraw/zinc/92/51/61/572925161.db2.gz GJVAMTUPPHQOBB-VIFPVBQESA-N 0 0 183.276 1.847 10 0 ADAERN CCON(C)C(=O)[C@@H]1CC[C@@H](C)C1 308193570 572925162 /nfs/dbraw/zinc/92/51/62/572925162.db2.gz QFQKJDUMKRBXQW-RKDXNWHRSA-N 0 0 185.267 1.833 10 0 ADAERN COC[C@@H](O)CCC1(O)CCCC1 86362186 572925165 /nfs/dbraw/zinc/92/51/65/572925165.db2.gz MSSCCRBOWFYNCD-VIFPVBQESA-N 0 0 188.267 1.079 10 0 ADAERN CCC(=O)[C@@]12CC=CC[C@@H]1O2 141193947 572925168 /nfs/dbraw/zinc/92/51/68/572925168.db2.gz LSFWDFKKMLUPNK-IUCAKERBSA-N 0 0 152.193 1.453 10 0 ADAERN CC(C)[C@H](CCCO)[C@@H](C)O 86362671 572925182 /nfs/dbraw/zinc/92/51/82/572925182.db2.gz DCYVPJABFUCCPX-BDAKNGLRSA-N 0 0 160.257 1.412 10 0 ADAERN CC[C@@H](O)[C@H](C)CCC(C)(C)O 86363633 572925189 /nfs/dbraw/zinc/92/51/89/572925189.db2.gz RHKBCUHJNLPNBN-RKDXNWHRSA-N 0 0 174.284 1.945 10 0 ADAERN CC[C@H](O)CC[C@@H](O)C1CC1 86363120 572925204 /nfs/dbraw/zinc/92/52/04/572925204.db2.gz UUTUENHMOBOICV-DTWKUNHWSA-N 0 0 158.241 1.308 10 0 ADAERN O[C@H](CCc1ccccn1)C1CC1 86363296 572925454 /nfs/dbraw/zinc/92/54/54/572925454.db2.gz NPYMPLMXTIZOHK-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN CC[C@@H](O)CC[C@H](O)C1CC1 86363118 572925215 /nfs/dbraw/zinc/92/52/15/572925215.db2.gz UUTUENHMOBOICV-BDAKNGLRSA-N 0 0 158.241 1.308 10 0 ADAERN COCC[C@@H](CO)c1cccc(F)c1 86367476 572925221 /nfs/dbraw/zinc/92/52/21/572925221.db2.gz DUFVXPMRLREWDW-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN O[C@H](CC[C@@H](O)C(F)(F)F)C1CC1 86363178 572925224 /nfs/dbraw/zinc/92/52/24/572925224.db2.gz VFKKRFDHLDLZDL-RNFRBKRXSA-N 0 0 198.184 1.461 10 0 ADAERN Cc1nonc1CC[C@H](O)C(C)C 86359492 572925231 /nfs/dbraw/zinc/92/52/31/572925231.db2.gz QFKSWHBOXVSYQU-VIFPVBQESA-N 0 0 184.239 1.328 10 0 ADAERN C[C@H](O)[C@@H]1CON=C1c1ccccc1 141214711 572925455 /nfs/dbraw/zinc/92/54/55/572925455.db2.gz WXNXLKZOODKBMX-WPRPVWTQSA-N 0 0 191.230 1.418 10 0 ADAERN CC[C@@H](C)S[C@H](C)C(N)=O 57622820 572925458 /nfs/dbraw/zinc/92/54/58/572925458.db2.gz XTUHLAQLFOKSRH-PHDIDXHHSA-N 0 0 161.270 1.392 10 0 ADAERN Cc1nonc1C[C@H](C(C)C)[C@@H](C)O 86362826 572925240 /nfs/dbraw/zinc/92/52/40/572925240.db2.gz NKPANLWKCHFZJH-RKDXNWHRSA-N 0 0 198.266 1.574 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1ncccn1 86363608 572925243 /nfs/dbraw/zinc/92/52/43/572925243.db2.gz SBASBZSQYNYZFA-IUCAKERBSA-N 0 0 180.251 1.426 10 0 ADAERN CC[C@H](O)[C@@H](C)[C@@H](C)COC 86363692 572925254 /nfs/dbraw/zinc/92/52/54/572925254.db2.gz HSOYDDWWSZGFNW-CIUDSAMLSA-N 0 0 160.257 1.676 10 0 ADAERN OCC(CO)CCc1cccs1 86370306 572925256 /nfs/dbraw/zinc/92/52/56/572925256.db2.gz BTCPISAPKGJXMC-UHFFFAOYSA-N 0 0 186.276 1.282 10 0 ADAERN COC[C@H](O)C[C@H](C(C)C)[C@@H](C)O 86362967 572925259 /nfs/dbraw/zinc/92/52/59/572925259.db2.gz IJCKSOMSPAATPX-OPRDCNLKSA-N 0 0 190.283 1.037 10 0 ADAERN CC(C)[C@H](O)CCc1ncccn1 86359537 572925267 /nfs/dbraw/zinc/92/52/67/572925267.db2.gz VFCRIENENJFFSQ-SECBINFHSA-N 0 0 180.251 1.426 10 0 ADAERN CC(C)[C@@H](Cc1ncccn1)[C@@H](C)O 86362883 572925459 /nfs/dbraw/zinc/92/54/59/572925459.db2.gz PRMSXVNKOFUQCF-NXEZZACHSA-N 0 0 194.278 1.672 10 0 ADAERN CC[C@H](O)C[C@H](C(C)C)[C@H](C)O 252605600 572925279 /nfs/dbraw/zinc/92/52/79/572925279.db2.gz PVDSBWKUNWNTOO-LPEHRKFASA-N 0 0 174.284 1.800 10 0 ADAERN CC[C@H](O)[C@@H](C)C[C@@H]1CCOC1 86363448 572925280 /nfs/dbraw/zinc/92/52/80/572925280.db2.gz SYKNVDBQPNPHJD-GUBZILKMSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)[C@H](CCOCCO)[C@H](C)O 86362597 572925282 /nfs/dbraw/zinc/92/52/82/572925282.db2.gz FBZISNKINUNJLV-UWVGGRQHSA-N 0 0 190.283 1.038 10 0 ADAERN COC[C@@H](O)CCc1ccncc1 86362320 572925284 /nfs/dbraw/zinc/92/52/84/572925284.db2.gz JTUXXYZHEBFILA-JTQLQIEISA-N 0 0 181.235 1.022 10 0 ADAERN CC(C)[C@@H](Cc1ncccn1)[C@H](C)O 86362886 572925286 /nfs/dbraw/zinc/92/52/86/572925286.db2.gz PRMSXVNKOFUQCF-VHSXEESVSA-N 0 0 194.278 1.672 10 0 ADAERN COC[C@@H](O)CC[C@H]1CCCCO1 86362274 572925289 /nfs/dbraw/zinc/92/52/89/572925289.db2.gz ABSBGWIBWOTSFJ-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@H](O)[C@H](C)CCCCCO 86360078 572925292 /nfs/dbraw/zinc/92/52/92/572925292.db2.gz PNLWHUVOOFMLEM-BDAKNGLRSA-N 0 0 160.257 1.556 10 0 ADAERN C[C@H]1C=C[C@H](C)C1=O 141116875 572925296 /nfs/dbraw/zinc/92/52/96/572925296.db2.gz YVNUZVLSGIDLKB-WDSKDSINSA-N 0 0 110.156 1.398 10 0 ADAERN O[C@@H](CCc1ccccn1)C1CC1 86363293 572925299 /nfs/dbraw/zinc/92/52/99/572925299.db2.gz NPYMPLMXTIZOHK-NSHDSACASA-N 0 0 177.247 1.785 10 0 ADAERN C[C@@H](O)[C@H](C)CCOC(F)(F)F 86360385 572925302 /nfs/dbraw/zinc/92/53/02/572925302.db2.gz LGZHUPSRTJZQTF-PHDIDXHHSA-N 0 0 186.173 1.930 10 0 ADAERN C[C@H](O)[C@@H](C)CCOC(F)(F)F 86360387 572925304 /nfs/dbraw/zinc/92/53/04/572925304.db2.gz LGZHUPSRTJZQTF-WDSKDSINSA-N 0 0 186.173 1.930 10 0 ADAERN COC[C@H](O)CCc1cccnc1 86362313 572925307 /nfs/dbraw/zinc/92/53/07/572925307.db2.gz BZOJXUNWRBRIDV-SNVBAGLBSA-N 0 0 181.235 1.022 10 0 ADAERN COC[C@H](O)CCC1CCC1 86362276 572925312 /nfs/dbraw/zinc/92/53/12/572925312.db2.gz OYVCEDJZRZOWEP-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)[C@H](CC(C)(C)O)[C@H](C)O 86362605 572925315 /nfs/dbraw/zinc/92/53/15/572925315.db2.gz STSKDQFZIMZWCC-IUCAKERBSA-N 0 0 174.284 1.800 10 0 ADAERN COC[C@@H](C)C[C@H](O)C(C)C 86359584 572925316 /nfs/dbraw/zinc/92/53/16/572925316.db2.gz WWHIAFZZHPRXSM-IUCAKERBSA-N 0 0 160.257 1.676 10 0 ADAERN C[C@H]1c2ccc(N)cc2CC[N@H+]1C 141200020 572925317 /nfs/dbraw/zinc/92/53/17/572925317.db2.gz PVIDUVADVHYWRV-QMMMGPOBSA-N 0 0 176.263 1.818 10 0 ADAERN CC[C@@H](O)[C@@H](C)Cc1nonc1C 86363551 572925319 /nfs/dbraw/zinc/92/53/19/572925319.db2.gz BTNHALYVWJCPIP-IMTBSYHQSA-N 0 0 184.239 1.328 10 0 ADAERN CC(C)[C@H](CCOCCO)[C@@H](C)O 86362592 572925465 /nfs/dbraw/zinc/92/54/65/572925465.db2.gz FBZISNKINUNJLV-ZJUUUORDSA-N 0 0 190.283 1.038 10 0 ADAERN CCCCC[C@H](C)ON 141216506 572925354 /nfs/dbraw/zinc/92/53/54/572925354.db2.gz KCTWOIWOONAEFS-ZETCQYMHSA-N 0 0 131.219 1.846 10 0 ADAERN COC[C@H](C)C[C@H](O)C(C)C 86359580 572925355 /nfs/dbraw/zinc/92/53/55/572925355.db2.gz WWHIAFZZHPRXSM-BDAKNGLRSA-N 0 0 160.257 1.676 10 0 ADAERN CCC[C@@H]1CC[C@@H](O)[C@H](CCO)C1 86361781 572925356 /nfs/dbraw/zinc/92/53/56/572925356.db2.gz QWWHXMSPELVROX-GMTAPVOTSA-N 0 0 186.295 1.946 10 0 ADAERN OCCCCC[C@@H](O)C1CC1 86363083 572925369 /nfs/dbraw/zinc/92/53/69/572925369.db2.gz IDCGPDALJRQQID-SECBINFHSA-N 0 0 158.241 1.310 10 0 ADAERN COC[C@@H](O)CCCc1ccccn1 86362311 572925371 /nfs/dbraw/zinc/92/53/71/572925371.db2.gz OKKYEWSZVOKPDX-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CSc1ncncc1[C@H](O)C(C)C 141127031 572925373 /nfs/dbraw/zinc/92/53/73/572925373.db2.gz DNLLLQNWQGMARP-MRVPVSSYSA-N 0 0 198.291 1.888 10 0 ADAERN OCCn1cnc2cc(F)ccc21 75935138 572925393 /nfs/dbraw/zinc/92/53/93/572925393.db2.gz FGZJBHOXXBBUJH-UHFFFAOYSA-N 0 0 180.182 1.168 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@H](CCCCO)C1 86361134 572925399 /nfs/dbraw/zinc/92/53/99/572925399.db2.gz NRBXMOKNRLADAB-GMTAPVOTSA-N 0 0 186.295 1.946 10 0 ADAERN COC[C@@H](O)CCc1ccccn1 86362337 572925403 /nfs/dbraw/zinc/92/54/03/572925403.db2.gz FORBZDVUFNDPFT-JTQLQIEISA-N 0 0 181.235 1.022 10 0 ADAERN c1cncc(NCC[C@@H]2CCOC2)c1 141196293 572925404 /nfs/dbraw/zinc/92/54/04/572925404.db2.gz YIHKQTJSZIOKNI-SNVBAGLBSA-N 0 0 192.262 1.920 10 0 ADAERN COCC[C@H](CO)c1ccc(F)cc1 86365231 572925412 /nfs/dbraw/zinc/92/54/12/572925412.db2.gz SBIINSYXHLJUDW-SNVBAGLBSA-N 0 0 198.237 1.938 10 0 ADAERN CCCSc1ncc(N)c(N)n1 141128666 572925424 /nfs/dbraw/zinc/92/54/24/572925424.db2.gz MFCAGZFGAPLSQT-UHFFFAOYSA-N 0 0 184.268 1.143 10 0 ADAERN CC[C@@H](C)S[C@@H](C)C(N)=O 57622813 572925433 /nfs/dbraw/zinc/92/54/33/572925433.db2.gz XTUHLAQLFOKSRH-RITPCOANSA-N 0 0 161.270 1.392 10 0 ADAERN C[C@@H]1C=C[C@@H](C)C1=O 141116510 572925436 /nfs/dbraw/zinc/92/54/36/572925436.db2.gz YVNUZVLSGIDLKB-PHDIDXHHSA-N 0 0 110.156 1.398 10 0 ADAERN OCCCCCC[C@H](O)C1CC1 86363142 572925588 /nfs/dbraw/zinc/92/55/88/572925588.db2.gz NFFBOJLRWMOUQQ-JTQLQIEISA-N 0 0 172.268 1.700 10 0 ADAERN COC(C)(C)C[C@@H]1CC[C@@H](CO)O1 308195076 572925591 /nfs/dbraw/zinc/92/55/91/572925591.db2.gz MBVHOEWAPKWJAR-IUCAKERBSA-N 0 0 188.267 1.341 10 0 ADAERN CC(C)[C@H](O)CCCC(C)(C)O 86359550 572925592 /nfs/dbraw/zinc/92/55/92/572925592.db2.gz YFJZHZMCRNTCCH-SECBINFHSA-N 0 0 174.284 1.945 10 0 ADAERN COCCc1cnc(Cl)nc1 141192478 572925615 /nfs/dbraw/zinc/92/56/15/572925615.db2.gz UENWVFNBHFTLHK-UHFFFAOYSA-N 0 0 172.615 1.319 10 0 ADAERN CCC1=C(C)C[C@@H](O)C1 141111068 572925619 /nfs/dbraw/zinc/92/56/19/572925619.db2.gz DXHWNWSXHDGYFY-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN CO[C@@H]1CCc2c(cnn2C(C)C)C1 75945140 572925622 /nfs/dbraw/zinc/92/56/22/572925622.db2.gz HPHOUWOAEGCLLN-SNVBAGLBSA-N 0 0 194.278 1.968 10 0 ADAERN CC(=O)NCCCC[C@@H]1CCCC1=O 238086394 572925628 /nfs/dbraw/zinc/92/56/28/572925628.db2.gz DLVPIZGSQLUOQG-SNVBAGLBSA-N 0 0 197.278 1.662 10 0 ADAERN CC[C@@H](O)[C@@H](CO)c1ccccc1 308194921 572925638 /nfs/dbraw/zinc/92/56/38/572925638.db2.gz LWINHTOBYSIMJW-WDEREUQCSA-N 0 0 180.247 1.533 10 0 ADAERN C[C@H](C(=O)CO)c1ccccc1 141148424 572925639 /nfs/dbraw/zinc/92/56/39/572925639.db2.gz QFIJADPMCNPDIS-QMMMGPOBSA-N 0 0 164.204 1.352 10 0 ADAERN CC(=O)NCCCCc1ccccn1 238086611 572925634 /nfs/dbraw/zinc/92/56/34/572925634.db2.gz RTVKCNGRPPUAKA-UHFFFAOYSA-N 0 0 192.262 1.540 10 0 ADAERN Cc1noc(N[C@@H]2CCO[C@H](C)C2)n1 235416251 572925636 /nfs/dbraw/zinc/92/56/36/572925636.db2.gz DDSPWTNYOZFPKB-HTRCEHHLSA-N 0 0 197.238 1.357 10 0 ADAERN O=C1OCC[C@@H]1CCCF 141142327 572925664 /nfs/dbraw/zinc/92/56/64/572925664.db2.gz WGNUKSQYLXRVFS-LURJTMIESA-N 0 0 146.161 1.299 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)/C=C\C1CC1 308191289 572925720 /nfs/dbraw/zinc/92/57/20/572925720.db2.gz NUKLMCABUOCADK-JJKLJZTJSA-N 0 0 179.263 1.962 10 0 ADAERN CCC(C)(C)[C@@H](O)COC1COC1 308191240 572925731 /nfs/dbraw/zinc/92/57/31/572925731.db2.gz JSTCOTOMOTUTDY-VIFPVBQESA-N 0 0 188.267 1.199 10 0 ADAERN CCCC[C@@H](C)[N@H+](C)CCC(=O)[O-] 308191186 572925738 /nfs/dbraw/zinc/92/57/38/572925738.db2.gz JPDPVMPTQLKBPW-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN O=Cc1nc(Cl)co1 141211117 572925773 /nfs/dbraw/zinc/92/57/73/572925773.db2.gz HMLMGOYPUKWNQQ-UHFFFAOYSA-N 0 0 131.518 1.141 10 0 ADAERN CCONC[C@H](C)CC(F)F 688714080 572925774 /nfs/dbraw/zinc/92/57/74/572925774.db2.gz SCGVNVPTNIMZLU-ZCFIWIBFSA-N 0 0 167.199 1.819 10 0 ADAERN CC(=O)NCCCC[C@H]1CCCC1=O 238086534 572925760 /nfs/dbraw/zinc/92/57/60/572925760.db2.gz DLVPIZGSQLUOQG-JTQLQIEISA-N 0 0 197.278 1.662 10 0 ADAERN C[C@@H](C(=O)CO)c1ccccc1 141148265 572925769 /nfs/dbraw/zinc/92/57/69/572925769.db2.gz QFIJADPMCNPDIS-MRVPVSSYSA-N 0 0 164.204 1.352 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)/C=C\C1CC1 308191290 572925772 /nfs/dbraw/zinc/92/57/72/572925772.db2.gz NUKLMCABUOCADK-QPAZJQKASA-N 0 0 179.263 1.962 10 0 ADAERN CCCCS[C@@H](C)O 141193926 572925785 /nfs/dbraw/zinc/92/57/85/572925785.db2.gz TUADVWCHTOAKQA-LURJTMIESA-N 0 0 134.244 1.858 10 0 ADAERN C[C@H](O)[C@H]1CON=C1c1ccccc1 141215104 572925826 /nfs/dbraw/zinc/92/58/26/572925826.db2.gz WXNXLKZOODKBMX-WCBMZHEXSA-N 0 0 191.230 1.418 10 0 ADAERN CC[C@H](O)[C@@H](CO)c1ccccc1 308194920 572925854 /nfs/dbraw/zinc/92/58/54/572925854.db2.gz LWINHTOBYSIMJW-QWRGUYRKSA-N 0 0 180.247 1.533 10 0 ADAERN CC(C)N(CC(F)(F)F)[C@@H](C)CO 308191346 572925872 /nfs/dbraw/zinc/92/58/72/572925872.db2.gz NWORKHBQZJOQHM-ZETCQYMHSA-N 0 0 199.216 1.640 10 0 ADAERN C[NH2+]C(CC(=O)[O-])(C1CC1)C1CC1 308195062 572925878 /nfs/dbraw/zinc/92/58/78/572925878.db2.gz MBCUECWIFJYFFN-UHFFFAOYSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1nonc1CCC(=O)C(C)(C)C 86352841 572925932 /nfs/dbraw/zinc/92/59/32/572925932.db2.gz CZGCWCNENZDWID-UHFFFAOYSA-N 0 0 196.250 1.926 10 0 ADAERN CC[NH2+][C@H](C)c1cnc(COC)[nH]1 308191296 572925904 /nfs/dbraw/zinc/92/59/04/572925904.db2.gz NUTSNZMJRWSLCO-SSDOTTSWSA-N 0 0 183.255 1.227 10 0 ADAERN CCCC(=O)C[C@@H]1CCC[C@H]1O 86352616 572925917 /nfs/dbraw/zinc/92/59/17/572925917.db2.gz BRJDICSMUCFIJC-WCBMZHEXSA-N 0 0 170.252 1.907 10 0 ADAERN COC(=O)C=CN[C@@H](C)C1CCCC1 234580016 572925920 /nfs/dbraw/zinc/92/59/20/572925920.db2.gz PPOVWCKYNQJWEX-FLOXNTQESA-N 0 0 197.278 1.841 10 0 ADAERN CCCNC(=O)c1ccnc(NC)c1 50724331 572926405 /nfs/dbraw/zinc/92/64/05/572926405.db2.gz KQDFTPWTPIMZQS-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN O=C1Nc2ccccc2[C@H]2COC[C@H]12 141291237 572926138 /nfs/dbraw/zinc/92/61/38/572926138.db2.gz IBXIDOPFTKBKBD-BDAKNGLRSA-N 0 0 189.214 1.369 10 0 ADAERN C/C(=C\[C@H](C)[C@@H](O)CC(C)C)CO 308191555 572926153 /nfs/dbraw/zinc/92/61/53/572926153.db2.gz JZBWZEWDFYPALX-PRZVWEGYSA-N 0 0 186.295 1.968 10 0 ADAERN COC(C)(C)C[C@H]1CC[C@H](CO)O1 308195077 572926174 /nfs/dbraw/zinc/92/61/74/572926174.db2.gz MBVHOEWAPKWJAR-RKDXNWHRSA-N 0 0 188.267 1.341 10 0 ADAERN CCCCCCO[C@@H]1OCC[C@H]1O 308198769 572926923 /nfs/dbraw/zinc/92/69/23/572926923.db2.gz OODKDYPVZZGASJ-NXEZZACHSA-N 0 0 188.267 1.691 10 0 ADAERN CCCC(=O)CC[C@H](O)CC 86352702 572926924 /nfs/dbraw/zinc/92/69/24/572926924.db2.gz FKBHOFDNLXJNHO-MRVPVSSYSA-N 0 0 158.241 1.907 10 0 ADAERN Cc1nc2cc(O)ccc2n1CCO 75972696 572926925 /nfs/dbraw/zinc/92/69/25/572926925.db2.gz VEVCUXTXOZWOPY-UHFFFAOYSA-N 0 0 192.218 1.043 10 0 ADAERN OCCn1c(=S)[nH]c2cccnc21 75952512 572926190 /nfs/dbraw/zinc/92/61/90/572926190.db2.gz OWTYDVSXQHJWFM-UHFFFAOYSA-N 0 0 195.247 1.086 10 0 ADAERN CCOCCCC(CC)(CO)CO 86371087 572926201 /nfs/dbraw/zinc/92/62/01/572926201.db2.gz OUHMQZMASCZBIY-UHFFFAOYSA-N 0 0 190.283 1.184 10 0 ADAERN COC(C)(C)C[C@H]1CC[C@@H](CO)O1 308195074 572926219 /nfs/dbraw/zinc/92/62/19/572926219.db2.gz MBVHOEWAPKWJAR-BDAKNGLRSA-N 0 0 188.267 1.341 10 0 ADAERN CC(CO)(CO)CC1CCCC1 86370628 572926222 /nfs/dbraw/zinc/92/62/22/572926222.db2.gz BEBMCXVDYHQDFR-UHFFFAOYSA-N 0 0 172.268 1.558 10 0 ADAERN O=C(OCCCF)C1=CCOCC1 308191098 572926223 /nfs/dbraw/zinc/92/62/23/572926223.db2.gz NXWQLSCXQPZINR-UHFFFAOYSA-N 0 0 188.198 1.236 10 0 ADAERN CO[C@H](C)[C@@H](NN)[C@H](C)CC(C)C 308195061 572926233 /nfs/dbraw/zinc/92/62/33/572926233.db2.gz QLFYOZQWSVKRHV-BBBLOLIVSA-N 0 0 188.315 1.535 10 0 ADAERN COCCC(CO)(CO)CC(C)C 86370743 572926234 /nfs/dbraw/zinc/92/62/34/572926234.db2.gz NRRUZKBYYNQXPG-UHFFFAOYSA-N 0 0 190.283 1.040 10 0 ADAERN CC(C)n1c(=NN)[nH]c2cccnc21 75949005 572926250 /nfs/dbraw/zinc/92/62/50/572926250.db2.gz NBWNQERUGZSYFR-UHFFFAOYSA-N 0 0 191.238 1.298 10 0 ADAERN C/N=c1\sc2cc(N)ccc2n1C 238087898 572926264 /nfs/dbraw/zinc/92/62/64/572926264.db2.gz OXITTWZLGRBLJL-LUAWRHEFSA-N 0 0 193.275 1.353 10 0 ADAERN CC(=O)O[C@H](CO)c1ccc(C)cc1 238087256 572926275 /nfs/dbraw/zinc/92/62/75/572926275.db2.gz IHCMQKKDAVRBJG-LLVKDONJSA-N 0 0 194.230 1.592 10 0 ADAERN CNc1cc(O)c(NC)cc1O 141234421 572926931 /nfs/dbraw/zinc/92/69/31/572926931.db2.gz MRKVFMSJPJAXGZ-UHFFFAOYSA-N 0 0 168.196 1.181 10 0 ADAERN CCC(C)(C)[C@H](O)COC1COC1 308191239 572926303 /nfs/dbraw/zinc/92/63/03/572926303.db2.gz JSTCOTOMOTUTDY-SECBINFHSA-N 0 0 188.267 1.199 10 0 ADAERN C=C/C=C\CC[C@@H](O)CCCO 713639960 572926324 /nfs/dbraw/zinc/92/63/24/572926324.db2.gz LVUZQTWFEZKXPG-UMBAGQNISA-N 0 0 170.252 1.642 10 0 ADAERN O=C1CC[C@H](c2ccc(O)cc2O)C1 141288578 572926332 /nfs/dbraw/zinc/92/63/32/572926332.db2.gz UTZJPHCFUKFPGI-ZETCQYMHSA-N 0 0 192.214 1.934 10 0 ADAERN C=C/C=C\CC[C@H](O)CCCO 713639962 572926336 /nfs/dbraw/zinc/92/63/36/572926336.db2.gz LVUZQTWFEZKXPG-XOULXFPDSA-N 0 0 170.252 1.642 10 0 ADAERN COC(C)(C)C[C@@H]1CC[C@H](CO)O1 308195075 572926346 /nfs/dbraw/zinc/92/63/46/572926346.db2.gz MBVHOEWAPKWJAR-DTWKUNHWSA-N 0 0 188.267 1.341 10 0 ADAERN OCc1ccccc1[C@@H]1CCOC1 141268452 572926351 /nfs/dbraw/zinc/92/63/51/572926351.db2.gz OCAHZSXERFPKAP-SNVBAGLBSA-N 0 0 178.231 1.683 10 0 ADAERN CC(C)N(CC(F)(F)F)[C@H](C)CO 308191345 572926372 /nfs/dbraw/zinc/92/63/72/572926372.db2.gz NWORKHBQZJOQHM-SSDOTTSWSA-N 0 0 199.216 1.640 10 0 ADAERN Oc1cnc(Nc2ccccc2)nc1 141295728 572926374 /nfs/dbraw/zinc/92/63/74/572926374.db2.gz BGFDUCFLQJCFCQ-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN CCCC(=O)CCc1nonc1C 86352669 572926379 /nfs/dbraw/zinc/92/63/79/572926379.db2.gz UHFKDWRZDFYZSP-UHFFFAOYSA-N 0 0 182.223 1.680 10 0 ADAERN CCC(=O)CCc1ccncc1 86352915 572926942 /nfs/dbraw/zinc/92/69/42/572926942.db2.gz RKFIVCBWQMEUBK-UHFFFAOYSA-N 0 0 163.220 1.993 10 0 ADAERN CCC(CO)(CO)c1ccccc1F 86371383 572926945 /nfs/dbraw/zinc/92/69/45/572926945.db2.gz QYXZVKGMFYXPPE-UHFFFAOYSA-N 0 0 198.237 1.458 10 0 ADAERN COC(CCC[C@@H](O)C(C)C)OC 308194974 572926416 /nfs/dbraw/zinc/92/64/16/572926416.db2.gz LYMYOQAZVLFFPF-SECBINFHSA-N 0 0 190.283 1.793 10 0 ADAERN COc1ccc(N)c2c1N[C@H](C)C2 713776874 572926417 /nfs/dbraw/zinc/92/64/17/572926417.db2.gz ZUVHHDYVDCTYIH-ZCFIWIBFSA-N 0 0 178.235 1.634 10 0 ADAERN CCCC(CO)(CO)Cc1ccco1 86370910 572926454 /nfs/dbraw/zinc/92/64/54/572926454.db2.gz PQDIQUGYKWABFM-UHFFFAOYSA-N 0 0 198.262 1.593 10 0 ADAERN CCC(=O)CCc1ncccn1 86353032 572926458 /nfs/dbraw/zinc/92/64/58/572926458.db2.gz LRILMXHVAJVCLG-UHFFFAOYSA-N 0 0 164.208 1.388 10 0 ADAERN CC(C)(C)CCC(C)(CO)CO 86370568 572926463 /nfs/dbraw/zinc/92/64/63/572926463.db2.gz SVNSCBVAJRCQNL-UHFFFAOYSA-N 0 0 174.284 1.804 10 0 ADAERN CC(=O)CCCC(C)(C)OC=O 238094744 572926491 /nfs/dbraw/zinc/92/64/91/572926491.db2.gz GFIXPMIBPLDAKB-UHFFFAOYSA-N 0 0 172.224 1.697 10 0 ADAERN CC(C)(C)C(=O)CCCCO 86352834 572926494 /nfs/dbraw/zinc/92/64/94/572926494.db2.gz MPIPVVQZKIVMKW-UHFFFAOYSA-N 0 0 158.241 1.764 10 0 ADAERN CCCCOCCC(C)(CO)CO 86370642 572926519 /nfs/dbraw/zinc/92/65/19/572926519.db2.gz NNXIJIKCKKOYRS-UHFFFAOYSA-N 0 0 190.283 1.184 10 0 ADAERN CCc1c(C)nc(=S)[nH]c1C 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/nfs/dbraw/zinc/92/93/93/572929393.db2.gz OKCDNZWIQDNTAC-NKWVEPMBSA-N 0 0 162.229 1.012 10 0 ADAERN CC[C@H](C)[C@](O)(CC)COC 86388237 572929397 /nfs/dbraw/zinc/92/93/97/572929397.db2.gz DRBRDUSXMOCVJS-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)CCOC 86387809 572929428 /nfs/dbraw/zinc/92/94/28/572929428.db2.gz XLKGFDQQRJANSH-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CC[C@H](C)[C@@](O)(CC)COC 86388233 572929435 /nfs/dbraw/zinc/92/94/35/572929435.db2.gz DRBRDUSXMOCVJS-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)c1nc2cc(N)ccc2n1N 75974985 572929471 /nfs/dbraw/zinc/92/94/71/572929471.db2.gz RXOUOUYZVJDRQJ-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN CC[C@@](C)(OC)[C@@H](O)C1=COCC1 308201504 572929488 /nfs/dbraw/zinc/92/94/88/572929488.db2.gz QDXGRQDZUBDGJG-VHSXEESVSA-N 0 0 186.251 1.467 10 0 ADAERN COc1cnn(C)c1C1(O)CC(C)C1 234910591 572930081 /nfs/dbraw/zinc/93/00/81/572930081.db2.gz OOOZMMZRYSIGIC-UHFFFAOYSA-N 0 0 196.250 1.046 10 0 ADAERN CC[C@@H](C)[C@@](O)(CC)COC 86388232 572929509 /nfs/dbraw/zinc/92/95/09/572929509.db2.gz DRBRDUSXMOCVJS-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CCC(C)(C)[C@H](NN)C1=COCC1 308201160 572929514 /nfs/dbraw/zinc/92/95/14/572929514.db2.gz PXIDRFFQAPUGLD-SECBINFHSA-N 0 0 184.283 1.559 10 0 ADAERN CC[C@H](C)[C@H](O)c1cncn1CC 86388501 572929517 /nfs/dbraw/zinc/92/95/17/572929517.db2.gz XWYRIKOODYPIIQ-WPRPVWTQSA-N 0 0 182.267 1.983 10 0 ADAERN CC(=O)O[C@@H]1C=C(CCCO)CCC1 238092490 572929520 /nfs/dbraw/zinc/92/95/20/572929520.db2.gz KHRWXAYGQGKDCO-NSHDSACASA-N 0 0 198.262 1.801 10 0 ADAERN CCO[C@H](C)[C@H](O)[C@H](C)CC 86389632 572929560 /nfs/dbraw/zinc/92/95/60/572929560.db2.gz QPXAKJKYSHMPMW-IWSPIJDZSA-N 0 0 160.257 1.818 10 0 ADAERN CC(C)C[C@H](C)[C@@H](CC[NH3+])C(=O)[O-] 308202001 572929605 /nfs/dbraw/zinc/92/96/05/572929605.db2.gz VXLMCQUFLJHBBO-DTWKUNHWSA-N 0 0 187.283 1.718 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cncn1CC 86388505 572929676 /nfs/dbraw/zinc/92/96/76/572929676.db2.gz XWYRIKOODYPIIQ-WCBMZHEXSA-N 0 0 182.267 1.983 10 0 ADAERN CC(C)C[C@@H](C)n1ccnc1C[NH3+] 308201252 572929681 /nfs/dbraw/zinc/92/96/81/572929681.db2.gz VGXJRROPUOQQNG-SECBINFHSA-N 0 0 181.283 1.949 10 0 ADAERN CC[C@H](C)[C@@](C)(O)C(OC)OC 86388485 572929708 /nfs/dbraw/zinc/92/97/08/572929708.db2.gz TYKFLVZQYKTMES-IONNQARKSA-N 0 0 176.256 1.402 10 0 ADAERN CCn1cnc(C(=O)CCOC)c1 308201592 572929735 /nfs/dbraw/zinc/92/97/35/572929735.db2.gz VOGMBSBUJZNZHI-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN CC[C@@H](C)[C@](C)(O)CC(OC)OC 86388465 572929753 /nfs/dbraw/zinc/92/97/53/572929753.db2.gz JSJTYXNVOBJQQH-PSASIEDQSA-N 0 0 190.283 1.793 10 0 ADAERN CC(C)C[C@@H](C)[C@@H](CC[NH3+])C(=O)[O-] 308202003 572929763 /nfs/dbraw/zinc/92/97/63/572929763.db2.gz VXLMCQUFLJHBBO-RKDXNWHRSA-N 0 0 187.283 1.718 10 0 ADAERN CC/C=C\C(=O)N1CC[C@](C)(F)C1 308201978 572929764 /nfs/dbraw/zinc/92/97/64/572929764.db2.gz VWEXIRBMRQTWLN-LWTINBJPSA-N 0 0 185.242 1.913 10 0 ADAERN CCCOC[C@@H](O)[C@@H](C)CC 86389432 572929789 /nfs/dbraw/zinc/92/97/89/572929789.db2.gz XZGFKHVMWBCQPV-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CCCOC[C@H](O)[C@H](C)CC 86389435 572930029 /nfs/dbraw/zinc/93/00/29/572930029.db2.gz XZGFKHVMWBCQPV-BDAKNGLRSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)(C)OC(=O)[C@H](N)C1=CCC1 238098511 572930161 /nfs/dbraw/zinc/93/01/61/572930161.db2.gz HNTBTTQJNQDSNF-MRVPVSSYSA-N 0 0 183.251 1.376 10 0 ADAERN CC[C@@H](C)[C@@H](O)C(OC)OC 86388456 572930066 /nfs/dbraw/zinc/93/00/66/572930066.db2.gz OKCDNZWIQDNTAC-RNFRBKRXSA-N 0 0 162.229 1.012 10 0 ADAERN CC(C)/C=C/C=C/[C@@H](C)C(N)=O 238108295 572930090 /nfs/dbraw/zinc/93/00/90/572930090.db2.gz CEMXUBJXKNTETF-OIASJMIUSA-N 0 0 167.252 1.876 10 0 ADAERN CC[C@@H](C)[C@](C)(O)CCOC 86387804 572930096 /nfs/dbraw/zinc/93/00/96/572930096.db2.gz XLKGFDQQRJANSH-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)/C=C/C=C/[C@H](C)C(N)=O 238108489 572930134 /nfs/dbraw/zinc/93/01/34/572930134.db2.gz CEMXUBJXKNTETF-IRUBRMGNSA-N 0 0 167.252 1.876 10 0 ADAERN 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572938686 /nfs/dbraw/zinc/93/86/86/572938686.db2.gz QSPWFTOBLKVQLR-IONNQARKSA-N 0 0 185.267 1.628 10 0 ADAERN COCCC[C@H](O)c1coc(C)n1 308195782 572938712 /nfs/dbraw/zinc/93/87/12/572938712.db2.gz QXRAAEPDGWQPSK-VIFPVBQESA-N 0 0 185.223 1.443 10 0 ADAERN CCCc1c(N)nnn1CCCF 88027762 572938715 /nfs/dbraw/zinc/93/87/15/572938715.db2.gz VDDIGFPEMCLHJO-UHFFFAOYSA-N 0 0 186.234 1.172 10 0 ADAERN CS/C=C\C(=O)N[C@@H]1[C@H]2CCC[C@H]21 308196099 572938732 /nfs/dbraw/zinc/93/87/32/572938732.db2.gz SLTMOCSLSKMGAK-NDCXDBLLSA-N 0 0 197.303 1.778 10 0 ADAERN CC(C)CCP(=O)(CO)CO 238110474 572938734 /nfs/dbraw/zinc/93/87/34/572938734.db2.gz XEMCEQHKJMTGTF-UHFFFAOYSA-N 0 0 180.184 1.295 10 0 ADAERN C/C=C\C(=O)N(CC)[C@H]1CCOC1 308196253 572938769 /nfs/dbraw/zinc/93/87/69/572938769.db2.gz MSZCPPAZJUIHFI-LVCFMKKZSA-N 0 0 183.251 1.200 10 0 ADAERN CC[C@@H](C)CN(CC)c1n[nH]c(N)n1 86440649 572938851 /nfs/dbraw/zinc/93/88/51/572938851.db2.gz PINDVCOEXVUPLK-SSDOTTSWSA-N 0 0 197.286 1.259 10 0 ADAERN 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/nfs/dbraw/zinc/93/90/79/572939079.db2.gz QNOVCKYJIILRCV-UHFFFAOYSA-N 0 0 174.240 1.611 10 0 ADAERN CC[C@H](C)CN(CC)c1n[nH]c(N)n1 86440652 572939083 /nfs/dbraw/zinc/93/90/83/572939083.db2.gz PINDVCOEXVUPLK-ZETCQYMHSA-N 0 0 197.286 1.259 10 0 ADAERN CS[C@H]1CC[C@@H]1NC(=O)CC1CC1 308195984 572939084 /nfs/dbraw/zinc/93/90/84/572939084.db2.gz SFKWLRSUOPTOQJ-IUCAKERBSA-N 0 0 199.319 1.797 10 0 ADAERN Cc1ccc([C@@H]2C[C@H](N)C(=O)O2)cc1 57936936 572939094 /nfs/dbraw/zinc/93/90/94/572939094.db2.gz MZYNIFUZZVCPQI-UWVGGRQHSA-N 0 0 191.230 1.310 10 0 ADAERN Cc1cccc2c1[C@@H](C(=O)[O-])C[C@@H]2[NH3+] 57937020 572939099 /nfs/dbraw/zinc/93/90/99/572939099.db2.gz VVQZMVDSFUWIQP-IUCAKERBSA-N 0 0 191.230 1.567 10 0 ADAERN Cc1cccc2c1[C@@H](C(=O)[O-])C[C@H]2[NH3+] 57937024 572939102 /nfs/dbraw/zinc/93/91/02/572939102.db2.gz VVQZMVDSFUWIQP-DTWKUNHWSA-N 0 0 191.230 1.567 10 0 ADAERN CC(=O)Oc1ccc([C@@H](O)CF)cc1 238117412 572939106 /nfs/dbraw/zinc/93/91/06/572939106.db2.gz FFFANWBCCUHMEE-JTQLQIEISA-N 0 0 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/nfs/dbraw/zinc/93/91/76/572939176.db2.gz MZYNIFUZZVCPQI-VHSXEESVSA-N 0 0 191.230 1.310 10 0 ADAERN Cc1ccc2c(c1)[C@@H]([NH3+])C[C@H]2C(=O)[O-] 57937014 572939182 /nfs/dbraw/zinc/93/91/82/572939182.db2.gz NKWQXTGACIVCFW-ZJUUUORDSA-N 0 0 191.230 1.567 10 0 ADAERN CC(C)C[C@@H](C[C@@H](C)O)N(C)N=O 238133541 572940133 /nfs/dbraw/zinc/94/01/33/572940133.db2.gz WBYSMFKOXIWKTQ-BDAKNGLRSA-N 0 0 188.271 1.785 10 0 ADAERN CC[C@H](C)CN(CC)C(=O)CC(C)=O 86439955 572939187 /nfs/dbraw/zinc/93/91/87/572939187.db2.gz YQPSEZGAACIBKL-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN COC(OC)C(=O)c1ccccc1F 86443655 572939190 /nfs/dbraw/zinc/93/91/90/572939190.db2.gz MEFWDVBAZYVNKC-UHFFFAOYSA-N 0 0 198.193 1.627 10 0 ADAERN Cc1cccc2c1[C@H](C(=O)[O-])C[C@@H]2[NH3+] 57937017 572939196 /nfs/dbraw/zinc/93/91/96/572939196.db2.gz VVQZMVDSFUWIQP-BDAKNGLRSA-N 0 0 191.230 1.567 10 0 ADAERN COC(OC)C(=O)CCC1CC1 86443621 572939197 /nfs/dbraw/zinc/93/91/97/572939197.db2.gz PUMWPZQKLVLFDI-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN CCC1(C(=O)Cc2csnn2)CC1 308207097 572939198 /nfs/dbraw/zinc/93/91/98/572939198.db2.gz IRWUALXAHKHBMV-UHFFFAOYSA-N 0 0 196.275 1.840 10 0 ADAERN COC(OC)C(=O)c1cnccc1C 86443592 572939207 /nfs/dbraw/zinc/93/92/07/572939207.db2.gz WSBGRCBVTPDRRJ-UHFFFAOYSA-N 0 0 195.218 1.192 10 0 ADAERN CC(C)C[C@H](O)C(=O)NC(C)(C)C 238139660 572940136 /nfs/dbraw/zinc/94/01/36/572940136.db2.gz OLSPPOMBUPFWJF-QMMMGPOBSA-N 0 0 187.283 1.308 10 0 ADAERN C/C(=C/c1ccsc1)[C@H](O)[C@@H](C)O 308196256 572939244 /nfs/dbraw/zinc/93/92/44/572939244.db2.gz MTEYDSADCZYRIP-XKKULMFJSA-N 0 0 198.287 1.893 10 0 ADAERN CC[C@H](C)CN(CC)S(C)(=O)=O 86440613 572939262 /nfs/dbraw/zinc/93/92/62/572939262.db2.gz CYRXJVBHKDNQMT-QMMMGPOBSA-N 0 0 193.312 1.314 10 0 ADAERN C[C@H](Cc1cccs1)N(C)C=O 86442479 572939360 /nfs/dbraw/zinc/93/93/60/572939360.db2.gz YXKSKNFSRSCKML-MRVPVSSYSA-N 0 0 183.276 1.767 10 0 ADAERN C[C@@H](Cc1cccs1)N(C)C=O 86442478 572939389 /nfs/dbraw/zinc/93/93/89/572939389.db2.gz YXKSKNFSRSCKML-QMMMGPOBSA-N 0 0 183.276 1.767 10 0 ADAERN CC[C@@H](C)CN(CC)C(N)=S 86438469 572939485 /nfs/dbraw/zinc/93/94/85/572939485.db2.gz KGYUAASAXDYGFO-SSDOTTSWSA-N 0 0 174.313 1.598 10 0 ADAERN COC(=O)[C@@H](C(C)=O)[C@@H](C)C(C)C 168711265 572939531 /nfs/dbraw/zinc/93/95/31/572939531.db2.gz RSBDHCKQRIZLPV-IONNQARKSA-N 0 0 186.251 1.657 10 0 ADAERN Cc1cc2c(c([C@@H](C)O)c1)NC(=O)C2 58090489 572939538 /nfs/dbraw/zinc/93/95/38/572939538.db2.gz ZNOGHRVZJRQTBJ-SSDOTTSWSA-N 0 0 191.230 1.543 10 0 ADAERN CCCCC[C@@H]1O[C@@H](C)O[C@H]1CO 308196654 572939540 /nfs/dbraw/zinc/93/95/40/572939540.db2.gz NASNWPPVVCWTAF-UTLUCORTSA-N 0 0 188.267 1.689 10 0 ADAERN Cc1cc2c(c([C@H](C)[NH3+])c1)NC(=O)C2 58090291 572939584 /nfs/dbraw/zinc/93/95/84/572939584.db2.gz QDZHAGUZCJPBFK-ZETCQYMHSA-N 0 0 190.246 1.509 10 0 ADAERN COC(OC)C(=O)c1cccc(C)c1 86443629 572939588 /nfs/dbraw/zinc/93/95/88/572939588.db2.gz JLPAETHQXJVRQK-UHFFFAOYSA-N 0 0 194.230 1.797 10 0 ADAERN COC(OC)C(=O)c1ccoc1 86443545 572939654 /nfs/dbraw/zinc/93/96/54/572939654.db2.gz RGHNDXOOHBAMRT-UHFFFAOYSA-N 0 0 170.164 1.081 10 0 ADAERN C[C@@H](Cc1cccs1)N(C)C(N)=O 86441534 572939657 /nfs/dbraw/zinc/93/96/57/572939657.db2.gz MQZYZHYPYASPSD-ZETCQYMHSA-N 0 0 198.291 1.690 10 0 ADAERN Cc1cc([C@H](C)O)cc2c1NC(=O)C2 58094281 572939679 /nfs/dbraw/zinc/93/96/79/572939679.db2.gz TVIDNKLGSQSGCD-ZETCQYMHSA-N 0 0 191.230 1.543 10 0 ADAERN Fc1cnccc1Nn1cccc1 145245593 572939699 /nfs/dbraw/zinc/93/96/99/572939699.db2.gz PHNHADOFBCFVPD-UHFFFAOYSA-N 0 0 177.182 1.897 10 0 ADAERN CCCCC[C@@H]1O[C@@H](C)O[C@@H]1CO 308196646 572939705 /nfs/dbraw/zinc/93/97/05/572939705.db2.gz NASNWPPVVCWTAF-KXUCPTDWSA-N 0 0 188.267 1.689 10 0 ADAERN C[C@@H]1Cc2c(F)c(N)cc(F)c2N1 713785107 572939716 /nfs/dbraw/zinc/93/97/16/572939716.db2.gz REFIOKZKARQVGD-SCSAIBSYSA-N 0 0 184.189 1.904 10 0 ADAERN C[C@H](Cc1ccc(F)cc1)NC(N)=O 58118627 572939722 /nfs/dbraw/zinc/93/97/22/572939722.db2.gz SZEJFAIJUXCFLK-SSDOTTSWSA-N 0 0 196.225 1.425 10 0 ADAERN O=C([O-])CCC[NH2+]CCCCCF 308197514 572939724 /nfs/dbraw/zinc/93/97/24/572939724.db2.gz SDJQRQKTYSJDSV-UHFFFAOYSA-N 0 0 191.246 1.581 10 0 ADAERN CC[C@@H](C)C[N@H+](CC)C/C=C/C(=O)[O-] 86437949 572939728 /nfs/dbraw/zinc/93/97/28/572939728.db2.gz XJLBFXWJECIKAE-VQCYPWCPSA-N 0 0 199.294 1.995 10 0 ADAERN CCSCC[C@@H]1NC(=O)C12CCC2 308197678 572939740 /nfs/dbraw/zinc/93/97/40/572939740.db2.gz NSASBURTTKIDKI-QMMMGPOBSA-N 0 0 199.319 1.798 10 0 ADAERN COC(OC)C(=O)C1CCCC1 86443658 572939773 /nfs/dbraw/zinc/93/97/73/572939773.db2.gz FUPSIJDVWRRNJD-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)CC 308197664 572939779 /nfs/dbraw/zinc/93/97/79/572939779.db2.gz NRMFCQDMEMJKFE-WUSACPJHSA-N 0 0 186.295 1.967 10 0 ADAERN CC(C)n1cnc2c1CC[C@@H](CO)C2 76088153 572939785 /nfs/dbraw/zinc/93/97/85/572939785.db2.gz KCXVCGUPQMMQKX-SECBINFHSA-N 0 0 194.278 1.561 10 0 ADAERN COC(OC)C(=O)CC(C)C 86443323 572939801 /nfs/dbraw/zinc/93/98/01/572939801.db2.gz BXYDWHRNRGRIGT-UHFFFAOYSA-N 0 0 160.213 1.221 10 0 ADAERN C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)CC 308197663 572939846 /nfs/dbraw/zinc/93/98/46/572939846.db2.gz NRMFCQDMEMJKFE-VOZCEGCTSA-N 0 0 186.295 1.967 10 0 ADAERN C[C@H](Cc1cccs1)N(C)C(N)=O 86441536 572939848 /nfs/dbraw/zinc/93/98/48/572939848.db2.gz MQZYZHYPYASPSD-SSDOTTSWSA-N 0 0 198.291 1.690 10 0 ADAERN CC(=O)OC/C=C(/C)CCCCO 238133124 572939853 /nfs/dbraw/zinc/93/98/53/572939853.db2.gz VHLUCAUHYHFSJK-TWGQIWQCSA-N 0 0 186.251 1.658 10 0 ADAERN CC(C)C[C@H](O)C(C)(C)[C@@H](C)O 238140236 572940041 /nfs/dbraw/zinc/94/00/41/572940041.db2.gz FFULWQIJPMPHOV-BDAKNGLRSA-N 0 0 174.284 1.800 10 0 ADAERN C/C=C/C=C(/C)[C@](C)(O)[C@H](C)CO 308197323 572939878 /nfs/dbraw/zinc/93/98/78/572939878.db2.gz NKFHPKKUQUHDJJ-JBEDJPTKSA-N 0 0 184.279 1.888 10 0 ADAERN COC(=O)C[C@@H]1[C@@H](CCO)C1(C)C 308196613 572939890 /nfs/dbraw/zinc/93/98/90/572939890.db2.gz NADPVBRBODOIOS-HTQZYQBOSA-N 0 0 186.251 1.204 10 0 ADAERN C[C@@H]1Cc2c(O)ccc(F)c2N1 713784392 572939934 /nfs/dbraw/zinc/93/99/34/572939934.db2.gz OXKHWWNQZCHULR-RXMQYKEDSA-N 0 0 167.183 1.888 10 0 ADAERN CC[C@H](C)C[N@H+](CC)C/C=C/C(=O)[O-] 86437952 572939965 /nfs/dbraw/zinc/93/99/65/572939965.db2.gz XJLBFXWJECIKAE-FGEFZZPRSA-N 0 0 199.294 1.995 10 0 ADAERN C[C@H](O)c1cc(F)c2c(c1)CC(=O)N2 58106532 572939968 /nfs/dbraw/zinc/93/99/68/572939968.db2.gz FTISNDNKAGXFBC-YFKPBYRVSA-N 0 0 195.193 1.374 10 0 ADAERN CC(C)C[C@H](O)C(C)(C)[C@H](C)O 238140262 572940170 /nfs/dbraw/zinc/94/01/70/572940170.db2.gz FFULWQIJPMPHOV-IUCAKERBSA-N 0 0 174.284 1.800 10 0 ADAERN CC(C)C[C@H](C)n1ncnc1C[NH3+] 308197521 572940027 /nfs/dbraw/zinc/94/00/27/572940027.db2.gz SDPCVNWBFUIBGV-QMMMGPOBSA-N 0 0 182.271 1.344 10 0 ADAERN CCCCC[C@@H]1O[C@H](C)O[C@H]1CO 308196641 572940035 /nfs/dbraw/zinc/94/00/35/572940035.db2.gz NASNWPPVVCWTAF-GUBZILKMSA-N 0 0 188.267 1.689 10 0 ADAERN C/C=C(/C)C(=O)O[C@H](C)COCC 308197120 572940052 /nfs/dbraw/zinc/94/00/52/572940052.db2.gz UCWNMOVTTYGLQA-BZJXQOFCSA-N 0 0 186.251 1.921 10 0 ADAERN C[C@@H]1CCCc2c1ncn2C 76087407 572940063 /nfs/dbraw/zinc/94/00/63/572940063.db2.gz VJXYGPKOPQNZHM-SSDOTTSWSA-N 0 0 150.225 1.860 10 0 ADAERN CC[C@@H](CC1CC1)n1nnnc1N 86457183 572940346 /nfs/dbraw/zinc/94/03/46/572940346.db2.gz XTKWKMBBARRMMS-ZETCQYMHSA-N 0 0 181.243 1.007 10 0 ADAERN C/C=C(\C)C(=O)O[C@H](C)COCC 308197122 572940524 /nfs/dbraw/zinc/94/05/24/572940524.db2.gz UCWNMOVTTYGLQA-WHXYTISESA-N 0 0 186.251 1.921 10 0 ADAERN COC(=O)C[C@@H]1[C@H](CCO)C1(C)C 308196618 572940375 /nfs/dbraw/zinc/94/03/75/572940375.db2.gz NADPVBRBODOIOS-JGVFFNPUSA-N 0 0 186.251 1.204 10 0 ADAERN CCOC(=O)/C(C)=C\F 199472847 572940394 /nfs/dbraw/zinc/94/03/94/572940394.db2.gz SNYQOMVJLLQNCV-PLNGDYQASA-N 0 0 132.134 1.423 10 0 ADAERN CSCCC(=O)N(C)c1cn[nH]c1 308197574 572940398 /nfs/dbraw/zinc/94/03/98/572940398.db2.gz UMJNTXWSBLHKRT-UHFFFAOYSA-N 0 0 199.279 1.126 10 0 ADAERN CCOC(OCC)[C@H](N)c1ccco1 86453012 572940419 /nfs/dbraw/zinc/94/04/19/572940419.db2.gz KKXSYOSFEBWYOL-SECBINFHSA-N 0 0 199.250 1.679 10 0 ADAERN CCSCC[C@H]1NC(=O)C12CCC2 308197677 572940438 /nfs/dbraw/zinc/94/04/38/572940438.db2.gz NSASBURTTKIDKI-MRVPVSSYSA-N 0 0 199.319 1.798 10 0 ADAERN COC(=O)c1nc(C)sc1Cl 145253687 572940439 /nfs/dbraw/zinc/94/04/39/572940439.db2.gz DSXYTYXJFYJXRM-UHFFFAOYSA-N 0 0 191.639 1.892 10 0 ADAERN CC(C)C[C@@H](C)n1ncnc1C[NH3+] 308197520 572940455 /nfs/dbraw/zinc/94/04/55/572940455.db2.gz SDPCVNWBFUIBGV-MRVPVSSYSA-N 0 0 182.271 1.344 10 0 ADAERN CC(C)NC(=O)c1ccc(C[NH3+])s1 58084924 572940502 /nfs/dbraw/zinc/94/05/02/572940502.db2.gz UFVQOLXEIVURNA-UHFFFAOYSA-N 0 0 198.291 1.345 10 0 ADAERN CCCC[C@@H](C)n1nnnc1N 86457073 572940535 /nfs/dbraw/zinc/94/05/35/572940535.db2.gz NPKKVUBYWZNFDA-ZCFIWIBFSA-N 0 0 169.232 1.007 10 0 ADAERN CCOC(OCC)[C@@H](N)c1ccco1 86453013 572940551 /nfs/dbraw/zinc/94/05/51/572940551.db2.gz KKXSYOSFEBWYOL-VIFPVBQESA-N 0 0 199.250 1.679 10 0 ADAERN CCC[C@](O)(C(=O)OCC)C1CC1 308196862 572940581 /nfs/dbraw/zinc/94/05/81/572940581.db2.gz RPQWXWKQJHHGDY-SNVBAGLBSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)n1cnc2c1[C@H](CO)CCC2 76088160 572940620 /nfs/dbraw/zinc/94/06/20/572940620.db2.gz KOFGAQDGUSQYAL-VIFPVBQESA-N 0 0 194.278 1.876 10 0 ADAERN CC(C)CC[C@@H](C)n1nnnc1N 86457175 572940629 /nfs/dbraw/zinc/94/06/29/572940629.db2.gz JQQCYTRAKDTTMM-SSDOTTSWSA-N 0 0 183.259 1.253 10 0 ADAERN CCOC(=O)Cc1cnc(C)o1 199468409 572940638 /nfs/dbraw/zinc/94/06/38/572940638.db2.gz MKZAQAQSQYXVDL-UHFFFAOYSA-N 0 0 169.180 1.089 10 0 ADAERN CCO[C@H]1CC=CCC[C@H]1O 208122952 572940642 /nfs/dbraw/zinc/94/06/42/572940642.db2.gz FZVDUZTWONHIHV-BDAKNGLRSA-N 0 0 156.225 1.493 10 0 ADAERN CCOC(OCC)[C@@H](O)[C@H](C)CC 86452871 572940664 /nfs/dbraw/zinc/94/06/64/572940664.db2.gz RIVQYFNULYVPIC-BDAKNGLRSA-N 0 0 190.283 1.793 10 0 ADAERN COc1ccc(N)c2c1C[C@H](C)N2 713784427 572940677 /nfs/dbraw/zinc/94/06/77/572940677.db2.gz PJFZIDFILRNBEJ-LURJTMIESA-N 0 0 178.235 1.634 10 0 ADAERN FC(F)(F)OCCN1CC=CCC1 308197305 572940678 /nfs/dbraw/zinc/94/06/78/572940678.db2.gz UGLCALSZAWGTTO-UHFFFAOYSA-N 0 0 195.184 1.785 10 0 ADAERN CCOC(OCC)[C@H](O)[C@H](C)CC 86452873 572941284 /nfs/dbraw/zinc/94/12/84/572941284.db2.gz RIVQYFNULYVPIC-RKDXNWHRSA-N 0 0 190.283 1.793 10 0 ADAERN CC(C)C[C@@H]([NH3+])C(F)(F)C(=O)[O-] 238137209 572940717 /nfs/dbraw/zinc/94/07/17/572940717.db2.gz BHZPKGPTVRKQFD-RXMQYKEDSA-N 0 0 181.182 1.080 10 0 ADAERN CC[C@@H](C)C[C@@H](C)n1nnnc1N 86457262 572940724 /nfs/dbraw/zinc/94/07/24/572940724.db2.gz HQMQQUHSJKLFLU-RNFRBKRXSA-N 0 0 183.259 1.253 10 0 ADAERN CC(C)=CC/C=C/C[C@H](O)CO 238139205 572940727 /nfs/dbraw/zinc/94/07/27/572940727.db2.gz AOVOIQJCHCEJOO-GFAPAMAISA-N 0 0 170.252 1.642 10 0 ADAERN C[C@H]1CCc2c(ncn2C)C1 76087429 572940731 /nfs/dbraw/zinc/94/07/31/572940731.db2.gz RNULCSBELKTEQZ-ZETCQYMHSA-N 0 0 150.225 1.545 10 0 ADAERN CC(C)=CC/C=C/C[C@@H](O)CO 238139179 572940761 /nfs/dbraw/zinc/94/07/61/572940761.db2.gz AOVOIQJCHCEJOO-RXNUUUNCSA-N 0 0 170.252 1.642 10 0 ADAERN [NH3+][C@H]1CC(=O)c2c1ccc(F)c2F 713784174 572940778 /nfs/dbraw/zinc/94/07/78/572940778.db2.gz NWWVPOMOUIRRRI-LURJTMIESA-N 0 0 183.157 1.551 10 0 ADAERN CC[C@H](C)C[C@H](C)n1nnnc1N 86457265 572940787 /nfs/dbraw/zinc/94/07/87/572940787.db2.gz HQMQQUHSJKLFLU-BQBZGAKWSA-N 0 0 183.259 1.253 10 0 ADAERN CC(C)C[C@@H]([NH3+])CCCC(=O)[O-] 238137379 572940794 /nfs/dbraw/zinc/94/07/94/572940794.db2.gz YGGIYMYJEQAKIP-QMMMGPOBSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@H]1Cc2c(O)ccc(F)c2N1 713784393 572940815 /nfs/dbraw/zinc/94/08/15/572940815.db2.gz OXKHWWNQZCHULR-YFKPBYRVSA-N 0 0 167.183 1.888 10 0 ADAERN FC(F)(F)CNCc1cnsn1 86454017 572940820 /nfs/dbraw/zinc/94/08/20/572940820.db2.gz LARSTYQVXMLDRE-UHFFFAOYSA-N 0 0 197.185 1.190 10 0 ADAERN CC[C@H](C)C[C@@H](C)n1nnnc1N 86457263 572940833 /nfs/dbraw/zinc/94/08/33/572940833.db2.gz HQMQQUHSJKLFLU-NKWVEPMBSA-N 0 0 183.259 1.253 10 0 ADAERN CCC[C@H](O)C(OCC)OCC 86452798 572940835 /nfs/dbraw/zinc/94/08/35/572940835.db2.gz VUHBOUXRPJKQAD-QMMMGPOBSA-N 0 0 176.256 1.547 10 0 ADAERN C=Cc1nnc([C@H](N)CC(C)C)o1 238141183 572940843 /nfs/dbraw/zinc/94/08/43/572940843.db2.gz WBWIKYSGIHJUEL-SSDOTTSWSA-N 0 0 181.239 1.759 10 0 ADAERN COC[C@H](O)CC[C@@H]1CC[C@H](C)O1 299996445 572940850 /nfs/dbraw/zinc/94/08/50/572940850.db2.gz RMTJQVQYTURRRD-AEJSXWLSSA-N 0 0 188.267 1.341 10 0 ADAERN CC(=O)CC[C@@H](O)CC(C)C 238141057 572940877 /nfs/dbraw/zinc/94/08/77/572940877.db2.gz UUHCBPPYPXAHDC-SECBINFHSA-N 0 0 158.241 1.763 10 0 ADAERN CC[C@@H](C)C[C@H](C)n1nnnc1N 86457264 572940878 /nfs/dbraw/zinc/94/08/78/572940878.db2.gz HQMQQUHSJKLFLU-RQJHMYQMSA-N 0 0 183.259 1.253 10 0 ADAERN CC(C)n1cnc2c1CCC[C@H]2CO 76088145 572940892 /nfs/dbraw/zinc/94/08/92/572940892.db2.gz BCBDYEONEOKRJF-VIFPVBQESA-N 0 0 194.278 1.876 10 0 ADAERN C[C@@H]1C(=O)Nc2ccc([C@@H](C)O)cc21 58085825 572940896 /nfs/dbraw/zinc/94/08/96/572940896.db2.gz YVRRCKWGHHXNIK-NKWVEPMBSA-N 0 0 191.230 1.796 10 0 ADAERN CC[C@H](F)COC(=O)[C@H](O)C1CC1 308209219 572940993 /nfs/dbraw/zinc/94/09/93/572940993.db2.gz FKOCHQMLUMTVBJ-JGVFFNPUSA-N 0 0 190.214 1.049 10 0 ADAERN C[C@@H]1CCc2c(ncn2C)C1 76087424 572940996 /nfs/dbraw/zinc/94/09/96/572940996.db2.gz RNULCSBELKTEQZ-SSDOTTSWSA-N 0 0 150.225 1.545 10 0 ADAERN CC(C)[NH2+]CC1CCC(C(=O)[O-])CC1 86480653 572941001 /nfs/dbraw/zinc/94/10/01/572941001.db2.gz RWNLDAKDBIRNDC-UHFFFAOYSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)n1cnc2c1C[C@H](CO)CC2 76088156 572941047 /nfs/dbraw/zinc/94/10/47/572941047.db2.gz QVLPZBVHAGCYIV-SECBINFHSA-N 0 0 194.278 1.561 10 0 ADAERN COc1c(N)ccc2c1C[C@H](C)N2 713784031 572941072 /nfs/dbraw/zinc/94/10/72/572941072.db2.gz MRRBHMWFTGOXIU-LURJTMIESA-N 0 0 178.235 1.634 10 0 ADAERN CC(C)n1cnc2c1[C@@H](CO)CCC2 76088162 572941103 /nfs/dbraw/zinc/94/11/03/572941103.db2.gz KOFGAQDGUSQYAL-SECBINFHSA-N 0 0 194.278 1.876 10 0 ADAERN C[C@H]1CCCc2c1ncn2C 76087412 572941145 /nfs/dbraw/zinc/94/11/45/572941145.db2.gz VJXYGPKOPQNZHM-ZETCQYMHSA-N 0 0 150.225 1.860 10 0 ADAERN CCC1(CC)[C@H](CO)[C@H]1C(=O)OC 308210536 572941172 /nfs/dbraw/zinc/94/11/72/572941172.db2.gz KVBAFWIAOAORBX-SFYZADRCSA-N 0 0 186.251 1.204 10 0 ADAERN C[C@H](O)c1ccc2c(c1)[C@H](C)C(=O)N2 58085833 572941200 /nfs/dbraw/zinc/94/12/00/572941200.db2.gz YVRRCKWGHHXNIK-BQBZGAKWSA-N 0 0 191.230 1.796 10 0 ADAERN CCn1ncnc1[C@H](C)CC(C)=O 308209048 572941208 /nfs/dbraw/zinc/94/12/08/572941208.db2.gz VLCPAGREBOSDIX-SSDOTTSWSA-N 0 0 181.239 1.381 10 0 ADAERN C[C@H](O)c1cc(F)cc2c1NC(=O)C2 58101322 572941226 /nfs/dbraw/zinc/94/12/26/572941226.db2.gz DIIZWLXERHDNRZ-YFKPBYRVSA-N 0 0 195.193 1.374 10 0 ADAERN CCCC[C@@H](O)C(OCC)OCC 86452868 572941320 /nfs/dbraw/zinc/94/13/20/572941320.db2.gz RWSFEQHXMAADAA-SECBINFHSA-N 0 0 190.283 1.937 10 0 ADAERN CCC(=O)c1cc[nH]c1C(=O)OC 214280540 572941273 /nfs/dbraw/zinc/94/12/73/572941273.db2.gz FMSRJFRLARYDGV-UHFFFAOYSA-N 0 0 181.191 1.394 10 0 ADAERN C[C@@H]1CCc2ncn(C)c2C1 76087402 572941278 /nfs/dbraw/zinc/94/12/78/572941278.db2.gz SHNKJPCWLRHZAR-SSDOTTSWSA-N 0 0 150.225 1.545 10 0 ADAERN CCCCCC[C@H](C)n1nnnc1N 86456909 572941323 /nfs/dbraw/zinc/94/13/23/572941323.db2.gz HTOGIRQAEKGIHJ-QMMMGPOBSA-N 0 0 197.286 1.787 10 0 ADAERN CCCCCC[C@@H](C)n1nnnc1N 86456908 572941295 /nfs/dbraw/zinc/94/12/95/572941295.db2.gz HTOGIRQAEKGIHJ-MRVPVSSYSA-N 0 0 197.286 1.787 10 0 ADAERN C[C@@H](Cc1ccc(F)cc1)NC(N)=O 58118622 572941297 /nfs/dbraw/zinc/94/12/97/572941297.db2.gz SZEJFAIJUXCFLK-ZETCQYMHSA-N 0 0 196.225 1.425 10 0 ADAERN CC(C)C[C@@H](C[C@H](C)O)N(C)N=O 238133808 572941577 /nfs/dbraw/zinc/94/15/77/572941577.db2.gz WBYSMFKOXIWKTQ-IUCAKERBSA-N 0 0 188.271 1.785 10 0 ADAERN CCOC(OCC)C(=O)C1CC1 86452741 572941590 /nfs/dbraw/zinc/94/15/90/572941590.db2.gz GGPVFXQDJGGAGX-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(OCC)[C@H](O)C(C)C 86452820 572941594 /nfs/dbraw/zinc/94/15/94/572941594.db2.gz MTOOILJSUZFEEF-MRVPVSSYSA-N 0 0 176.256 1.402 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2c1ccc(F)c2F 713784176 572941624 /nfs/dbraw/zinc/94/16/24/572941624.db2.gz NWWVPOMOUIRRRI-ZCFIWIBFSA-N 0 0 183.157 1.551 10 0 ADAERN CC(C)n1cnc2c1CC[C@H](CO)C2 76088149 572941630 /nfs/dbraw/zinc/94/16/30/572941630.db2.gz KCXVCGUPQMMQKX-VIFPVBQESA-N 0 0 194.278 1.561 10 0 ADAERN CCOC(OCC)[C@H](O)[C@@H](C)CC 86452874 572941645 /nfs/dbraw/zinc/94/16/45/572941645.db2.gz RIVQYFNULYVPIC-DTWKUNHWSA-N 0 0 190.283 1.793 10 0 ADAERN CC(C)CC[C@H](NN)c1ccc[nH]1 308210569 572941651 /nfs/dbraw/zinc/94/16/51/572941651.db2.gz KVWMPJHCTDGJGO-JTQLQIEISA-N 0 0 181.283 1.955 10 0 ADAERN CCCC[C@H](C)n1nnnc1N 86457074 572941661 /nfs/dbraw/zinc/94/16/61/572941661.db2.gz NPKKVUBYWZNFDA-LURJTMIESA-N 0 0 169.232 1.007 10 0 ADAERN CC[C@@H](C)ONC(=O)c1ccno1 308210685 572941681 /nfs/dbraw/zinc/94/16/81/572941681.db2.gz GEXRJGRDVIRITJ-ZCFIWIBFSA-N 0 0 184.195 1.135 10 0 ADAERN Cc1cc2c(c([C@@H](C)[NH3+])c1)NC(=O)C2 58090286 572941707 /nfs/dbraw/zinc/94/17/07/572941707.db2.gz QDZHAGUZCJPBFK-SSDOTTSWSA-N 0 0 190.246 1.509 10 0 ADAERN CCOC(OCC)[C@@H](O)[C@@H](C)CC 86452872 572941719 /nfs/dbraw/zinc/94/17/19/572941719.db2.gz RIVQYFNULYVPIC-IUCAKERBSA-N 0 0 190.283 1.793 10 0 ADAERN CC(=O)OC/C(C)=C/C=C/CO 238141201 572941722 /nfs/dbraw/zinc/94/17/22/572941722.db2.gz PGEPIJVAYQEAMK-SALQQRKASA-N 0 0 170.208 1.044 10 0 ADAERN CO[C@H]1CCCc2c1ncn2C 76087248 572941733 /nfs/dbraw/zinc/94/17/33/572941733.db2.gz ULQDGYQAWNOKFG-QMMMGPOBSA-N 0 0 166.224 1.444 10 0 ADAERN CCCCC[C@H](C)n1nnnc1N 86456876 572941737 /nfs/dbraw/zinc/94/17/37/572941737.db2.gz VVNGUCACOVCAHI-ZETCQYMHSA-N 0 0 183.259 1.397 10 0 ADAERN C[C@H]1CCc2ncn(C)c2C1 76087404 572941766 /nfs/dbraw/zinc/94/17/66/572941766.db2.gz SHNKJPCWLRHZAR-ZETCQYMHSA-N 0 0 150.225 1.545 10 0 ADAERN O=C(OCCF)[C@@H]1CCCOCC1 308209861 572941789 /nfs/dbraw/zinc/94/17/89/572941789.db2.gz FTZFYSPCVHWWEQ-MRVPVSSYSA-N 0 0 190.214 1.316 10 0 ADAERN CSCCOc1cc(C)c(C)nn1 308198579 572941806 /nfs/dbraw/zinc/94/18/06/572941806.db2.gz VRNTYQMQSFLWAT-UHFFFAOYSA-N 0 0 198.291 1.835 10 0 ADAERN CO[C@@H]1CCCc2c1ncn2C 76087252 572941824 /nfs/dbraw/zinc/94/18/24/572941824.db2.gz ULQDGYQAWNOKFG-MRVPVSSYSA-N 0 0 166.224 1.444 10 0 ADAERN CCCC(=O)OCC(=O)CC1CC1 308209866 572941831 /nfs/dbraw/zinc/94/18/31/572941831.db2.gz FUBVJFORQZEWBL-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CCOC(OCC)C(=O)CC1CC1 86452745 572941859 /nfs/dbraw/zinc/94/18/59/572941859.db2.gz GYRFYFHBMJIILZ-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CCC(CC)[C@H](C)n1nnnc1N 86457170 572941910 /nfs/dbraw/zinc/94/19/10/572941910.db2.gz WKKHWTHVLXVTGD-LURJTMIESA-N 0 0 183.259 1.253 10 0 ADAERN C[C@@H]1Cc2c(ccc(N)c2O)N1 713784041 572941919 /nfs/dbraw/zinc/94/19/19/572941919.db2.gz MSPYVHXCCUZRTR-RXMQYKEDSA-N 0 0 164.208 1.331 10 0 ADAERN CCC1(CC)[C@@H](CO)[C@@H]1C(=O)OC 308210532 572941948 /nfs/dbraw/zinc/94/19/48/572941948.db2.gz KVBAFWIAOAORBX-JGVFFNPUSA-N 0 0 186.251 1.204 10 0 ADAERN CCCCN1CCO[C@H](C(F)F)C1 308209907 572941953 /nfs/dbraw/zinc/94/19/53/572941953.db2.gz FWEYQJYBNFORSF-QMMMGPOBSA-N 0 0 193.237 1.752 10 0 ADAERN CCC[C@H](O)[C@H](O)[C@@H](CCC)OC 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572951901 /nfs/dbraw/zinc/95/19/01/572951901.db2.gz SLNNZDRUBFWZLL-JTQLQIEISA-N 0 0 181.235 1.542 10 0 ADAERN CSCC[C@H](O)COC(C)C 86519879 572951913 /nfs/dbraw/zinc/95/19/13/572951913.db2.gz HGXXIBSYAFYWBK-QMMMGPOBSA-N 0 0 178.297 1.525 10 0 ADAERN CC(C)OCC(=O)[C@@H]1CCCO1 86521842 572951926 /nfs/dbraw/zinc/95/19/26/572951926.db2.gz ZIMUWNBUFVYDHE-VIFPVBQESA-N 0 0 172.224 1.160 10 0 ADAERN CC[C@H](C)[C@@H](O)COC(C)C 86519574 572951934 /nfs/dbraw/zinc/95/19/34/572951934.db2.gz PZNQHSASFNJLBT-IUCAKERBSA-N 0 0 160.257 1.818 10 0 ADAERN CC(C)OC[C@@H](O)C1CCOCC1 86519765 572951937 /nfs/dbraw/zinc/95/19/37/572951937.db2.gz OETSMQDMUVMZNB-SNVBAGLBSA-N 0 0 188.267 1.199 10 0 ADAERN CCOC[C@@]1(O)CC[C@@H](CC)C1 86520349 572952609 /nfs/dbraw/zinc/95/26/09/572952609.db2.gz PZDHBECHPYCCGK-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCOC[C@](C)(O)CCOC 86518726 572951939 /nfs/dbraw/zinc/95/19/39/572951939.db2.gz GZVAZRVGZDUHCR-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN CCCOC[C@@]1(O)CCO[C@H](C)C1 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572952050 /nfs/dbraw/zinc/95/20/50/572952050.db2.gz UHXXDVLOMAZWHB-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)C[C@H](O)[C@]1(C(C)C)C[C@@H]1O 238144225 572952051 /nfs/dbraw/zinc/95/20/51/572952051.db2.gz WILRXKPESJPWQW-GARJFASQSA-N 0 0 186.295 1.800 10 0 ADAERN CCOCC(=O)COc1ccccc1 86521508 572952057 /nfs/dbraw/zinc/95/20/57/572952057.db2.gz PRJQYUDBUCBGNK-UHFFFAOYSA-N 0 0 194.230 1.671 10 0 ADAERN Cc1cc(NN)nc(-c2ccco2)n1 51168437 572952070 /nfs/dbraw/zinc/95/20/70/572952070.db2.gz HEONAGRKTRQKGR-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN O[C@@H]1CC[C@H](c2ccccn2)C1 58517951 572952075 /nfs/dbraw/zinc/95/20/75/572952075.db2.gz UYMSAHDGYMRMOO-DTWKUNHWSA-N 0 0 163.220 1.710 10 0 ADAERN CCOCC(=O)[C@H](C)OCC 86521690 572952079 /nfs/dbraw/zinc/95/20/79/572952079.db2.gz PNYXNDKJOCNCTM-ZETCQYMHSA-N 0 0 160.213 1.017 10 0 ADAERN CC(C)OC[C@@H](O)[C@@H]1CCCOC1 86519781 572952093 /nfs/dbraw/zinc/95/20/93/572952093.db2.gz RQZBNBAMGJFHKA-NXEZZACHSA-N 0 0 188.267 1.199 10 0 ADAERN CCCOCC(=O)[C@@H]1CCCO1 86521850 572952099 /nfs/dbraw/zinc/95/20/99/572952099.db2.gz OJVJCLUVLZFFGH-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CC(C)OCC(=O)C[C@@H]1CCCO1 86521371 572952106 /nfs/dbraw/zinc/95/21/06/572952106.db2.gz BMLAPHONORYTNT-JTQLQIEISA-N 0 0 186.251 1.550 10 0 ADAERN O=Cc1cc(-c2ccccn2)no1 58518603 572952119 /nfs/dbraw/zinc/95/21/19/572952119.db2.gz DATJOWBTIOWPQV-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CCOC[C@H](O)C(CC)CC 86519380 572952126 /nfs/dbraw/zinc/95/21/26/572952126.db2.gz YJJNVUQKESHAJI-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CCCOC[C@@H](O)CCSC 86519871 572952129 /nfs/dbraw/zinc/95/21/29/572952129.db2.gz RSGIGRLAJFMBPG-QMMMGPOBSA-N 0 0 178.297 1.527 10 0 ADAERN CCc1ccccc1[C@@H](O)COC 86519713 572952144 /nfs/dbraw/zinc/95/21/44/572952144.db2.gz IXWJZRZYKKHUSP-NSHDSACASA-N 0 0 180.247 1.929 10 0 ADAERN CCCn1cncc1[C@@H](O)COCC 86521248 572952150 /nfs/dbraw/zinc/95/21/50/572952150.db2.gz OFSXHZNGVQSAAR-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN CCCOC[C@]1(O)CCO[C@@H](C)C1 86520020 572952155 /nfs/dbraw/zinc/95/21/55/572952155.db2.gz SCKDPQQRJALZTH-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CCCOCC(=O)[C@H]1CCCO1 86521851 572952169 /nfs/dbraw/zinc/95/21/69/572952169.db2.gz OJVJCLUVLZFFGH-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN CC(C)OC[C@@H](O)c1ccncc1 86519169 572952171 /nfs/dbraw/zinc/95/21/71/572952171.db2.gz PLIQAJDMKKGUQL-SNVBAGLBSA-N 0 0 181.235 1.540 10 0 ADAERN CCOC[C@H](O)CC(C)(C)C 86519957 572952172 /nfs/dbraw/zinc/95/21/72/572952172.db2.gz XADHFHPQDDAENL-MRVPVSSYSA-N 0 0 160.257 1.820 10 0 ADAERN CCCOC[C@@]1(O)CCC[C@H]1C 86520674 572952178 /nfs/dbraw/zinc/95/21/78/572952178.db2.gz UHXXDVLOMAZWHB-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CSCC[C@@H](O)COC(C)C 86519878 572952187 /nfs/dbraw/zinc/95/21/87/572952187.db2.gz HGXXIBSYAFYWBK-MRVPVSSYSA-N 0 0 178.297 1.525 10 0 ADAERN CCOC[C@H](O)c1ccccn1 86519271 572952196 /nfs/dbraw/zinc/95/21/96/572952196.db2.gz GSXVFLWBVWEGOK-VIFPVBQESA-N 0 0 167.208 1.152 10 0 ADAERN CCOC[C@]1(O)CC[C@H](CC)C1 86520356 572952198 /nfs/dbraw/zinc/95/21/98/572952198.db2.gz PZDHBECHPYCCGK-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)OCC(=O)c1ccccc1N 86521710 572952200 /nfs/dbraw/zinc/95/22/00/572952200.db2.gz CRJJBNYXFCWQAZ-UHFFFAOYSA-N 0 0 193.246 1.877 10 0 ADAERN CCn1cncc1[C@@H](O)COC(C)C 86521236 572952202 /nfs/dbraw/zinc/95/22/02/572952202.db2.gz VYKCQMYEDSQZQJ-JTQLQIEISA-N 0 0 198.266 1.361 10 0 ADAERN CCOCC(=O)CC(F)(F)F 86521421 572952205 /nfs/dbraw/zinc/95/22/05/572952205.db2.gz GEOXHGGMPKHWQZ-UHFFFAOYSA-N 0 0 170.130 1.544 10 0 ADAERN CC(C)CCCNc1ncnc(N)n1 238143922 572952518 /nfs/dbraw/zinc/95/25/18/572952518.db2.gz LYMLZPNZYVARQZ-UHFFFAOYSA-N 0 0 195.270 1.302 10 0 ADAERN Cc1ccc([C@@H]2CCCNC2=O)cc1 58520945 572952213 /nfs/dbraw/zinc/95/22/13/572952213.db2.gz KQYJXCMYDVLBRZ-NSHDSACASA-N 0 0 189.258 1.989 10 0 ADAERN O[C@H]1CC[C@H](c2cccnc2)C1 58517955 572952215 /nfs/dbraw/zinc/95/22/15/572952215.db2.gz QPBQALHZRHAFNC-WPRPVWTQSA-N 0 0 163.220 1.710 10 0 ADAERN CC[C@H]1CNC(=O)c2ccccc21 58518745 572952217 /nfs/dbraw/zinc/95/22/17/572952217.db2.gz LIIOCRKXXCZANO-QMMMGPOBSA-N 0 0 175.231 1.924 10 0 ADAERN CCCn1cncc1[C@H](O)COCC 86521247 572952221 /nfs/dbraw/zinc/95/22/21/572952221.db2.gz OFSXHZNGVQSAAR-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)OCC(=O)Cc1ccccn1 86521378 572952229 /nfs/dbraw/zinc/95/22/29/572952229.db2.gz GXUWQPXBUSXRKP-UHFFFAOYSA-N 0 0 193.246 1.618 10 0 ADAERN CCCOC[C@@](O)(CC)C1CC1 86520606 572952231 /nfs/dbraw/zinc/95/22/31/572952231.db2.gz SVZBTPNFFFKZII-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CCOC[C@H](O)c1cncn1C(C)C 86521261 572952233 /nfs/dbraw/zinc/95/22/33/572952233.db2.gz CYPNEZLSIJCAJR-JTQLQIEISA-N 0 0 198.266 1.534 10 0 ADAERN COC[C@@H](O)c1cncn1C(C)C 86521268 572952235 /nfs/dbraw/zinc/95/22/35/572952235.db2.gz DJPPDZOLCIPXLW-SECBINFHSA-N 0 0 184.239 1.144 10 0 ADAERN COCC(=O)CSCC(C)C 86521779 572952247 /nfs/dbraw/zinc/95/22/47/572952247.db2.gz BFHIDFSYULKYLV-UHFFFAOYSA-N 0 0 176.281 1.591 10 0 ADAERN CCCOC[C@H](O)[C@H]1CCCOC1 86519769 572952248 /nfs/dbraw/zinc/95/22/48/572952248.db2.gz VGJJQHUSNNFUDV-UWVGGRQHSA-N 0 0 188.267 1.201 10 0 ADAERN CC[C@@](O)(COC)COC(C)C 86520284 572952252 /nfs/dbraw/zinc/95/22/52/572952252.db2.gz XGGXYGHOSUCFRP-SECBINFHSA-N 0 0 176.256 1.199 10 0 ADAERN CC(C)OCC(=O)[C@H]1CCCO1 86521844 572952254 /nfs/dbraw/zinc/95/22/54/572952254.db2.gz ZIMUWNBUFVYDHE-SECBINFHSA-N 0 0 172.224 1.160 10 0 ADAERN CCCOCC(=O)c1cc(C)ccn1 86521628 572952519 /nfs/dbraw/zinc/95/25/19/572952519.db2.gz NTCQFWCXSXEDJK-UHFFFAOYSA-N 0 0 193.246 1.999 10 0 ADAERN CCCOC[C@@]1(O)CCCOCC1 86520761 572952725 /nfs/dbraw/zinc/95/27/25/572952725.db2.gz IRVPYWSRFULTQD-SNVBAGLBSA-N 0 0 188.267 1.345 10 0 ADAERN Cc1ccc([C@@H]2CCNC2=O)cc1C 58520974 572952261 /nfs/dbraw/zinc/95/22/61/572952261.db2.gz PTGONAJAOCEGBL-NSHDSACASA-N 0 0 189.258 1.907 10 0 ADAERN CCCOC[C@H](O)CCSC 86519870 572952288 /nfs/dbraw/zinc/95/22/88/572952288.db2.gz RSGIGRLAJFMBPG-MRVPVSSYSA-N 0 0 178.297 1.527 10 0 ADAERN CC[C@@](O)(COC(C)C)C1CC1 86520613 572952291 /nfs/dbraw/zinc/95/22/91/572952291.db2.gz FHQYIXSYLQLPFJ-SNVBAGLBSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C)SCC(=O)COC 86521791 572952727 /nfs/dbraw/zinc/95/27/27/572952727.db2.gz NCINNQFKFORRHM-ZETCQYMHSA-N 0 0 176.281 1.734 10 0 ADAERN COCC(=O)CSC(C)(C)C 86521772 572952522 /nfs/dbraw/zinc/95/25/22/572952522.db2.gz RYSPCURIGDDFGJ-UHFFFAOYSA-N 0 0 176.281 1.734 10 0 ADAERN CC(C)=CCCCC(=O)CO 238144275 572952313 /nfs/dbraw/zinc/95/23/13/572952313.db2.gz TWWXSAHFNOCKAU-UHFFFAOYSA-N 0 0 156.225 1.684 10 0 ADAERN CCOC[C@@]1(O)CCO[C@@H](CC)C1 86520058 572952319 /nfs/dbraw/zinc/95/23/19/572952319.db2.gz SHUCEMIIKVKKFB-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CC(C)C[C@@H](O)COC(C)C 86519799 572952323 /nfs/dbraw/zinc/95/23/23/572952323.db2.gz GNPQUHZFLMKYQL-SECBINFHSA-N 0 0 160.257 1.818 10 0 ADAERN CC(C)OCC(=O)Cc1ccncc1 86521501 572952524 /nfs/dbraw/zinc/95/25/24/572952524.db2.gz GXJBVKXOJYPERT-UHFFFAOYSA-N 0 0 193.246 1.618 10 0 ADAERN CCCOCC1(O)CCC(=O)CC1 86521016 572952348 /nfs/dbraw/zinc/95/23/48/572952348.db2.gz RQKDAYLHIHAQMT-UHFFFAOYSA-N 0 0 186.251 1.287 10 0 ADAERN CCCOC[C@@]1(O)CC[C@@H](C)C1 86520315 572952353 /nfs/dbraw/zinc/95/23/53/572952353.db2.gz QNNTZGVRLLTLPE-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(=O)OCCC/C(C)=C(\F)CO 238143856 572952354 /nfs/dbraw/zinc/95/23/54/572952354.db2.gz SZGIKZKKCIDDNE-CLFYSBASSA-N 0 0 190.214 1.566 10 0 ADAERN CCOC[C@@H](O)C(CC)CC 86519377 572952362 /nfs/dbraw/zinc/95/23/62/572952362.db2.gz YJJNVUQKESHAJI-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CCc1ccccc1[C@H](O)COC 86519711 572952367 /nfs/dbraw/zinc/95/23/67/572952367.db2.gz IXWJZRZYKKHUSP-LLVKDONJSA-N 0 0 180.247 1.929 10 0 ADAERN CCCOCC(=O)c1ccccn1 86521354 572952370 /nfs/dbraw/zinc/95/23/70/572952370.db2.gz DCTMWDCZFNQVRK-UHFFFAOYSA-N 0 0 179.219 1.691 10 0 ADAERN O[C@H]1CC[C@@H](c2ccccn2)C1 58517943 572952383 /nfs/dbraw/zinc/95/23/83/572952383.db2.gz UYMSAHDGYMRMOO-BDAKNGLRSA-N 0 0 163.220 1.710 10 0 ADAERN CC(C)CCCOC(=O)NC(N)=O 238144006 572952400 /nfs/dbraw/zinc/95/24/00/572952400.db2.gz UNMGJBOGCRAMHG-UHFFFAOYSA-N 0 0 188.227 1.228 10 0 ADAERN COCC[C@](C)(O)COC(C)C 86518735 572952411 /nfs/dbraw/zinc/95/24/11/572952411.db2.gz XZUPEIAHFOKOQL-VIFPVBQESA-N 0 0 176.256 1.199 10 0 ADAERN CCCOC[C@@H](O)[C@H]1CCCOC1 86519771 572952414 /nfs/dbraw/zinc/95/24/14/572952414.db2.gz VGJJQHUSNNFUDV-VHSXEESVSA-N 0 0 188.267 1.201 10 0 ADAERN CCC[C@@H]1C[C@](O)(COC)CCO1 86520095 572952417 /nfs/dbraw/zinc/95/24/17/572952417.db2.gz BVEMNIUBTCTJKF-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CCOC[C@H](O)c1ccc(C)o1 86519087 572952419 /nfs/dbraw/zinc/95/24/19/572952419.db2.gz LGWATTPNKMWPBZ-QMMMGPOBSA-N 0 0 170.208 1.658 10 0 ADAERN CCOC[C@@H](O)c1ccc(CC)o1 86519581 572952426 /nfs/dbraw/zinc/95/24/26/572952426.db2.gz NZPKBZNIBGCIJP-SECBINFHSA-N 0 0 184.235 1.912 10 0 ADAERN COCc1ccccc1[C@@H](O)COC 86520971 572952434 /nfs/dbraw/zinc/95/24/34/572952434.db2.gz BTPQIMGGVXTGNA-NSHDSACASA-N 0 0 196.246 1.513 10 0 ADAERN CCOC[C@@H](O)CC(C)(C)C 86519960 572952438 /nfs/dbraw/zinc/95/24/38/572952438.db2.gz XADHFHPQDDAENL-QMMMGPOBSA-N 0 0 160.257 1.820 10 0 ADAERN CCCOCC(=O)c1ccccc1N 86521714 572952441 /nfs/dbraw/zinc/95/24/41/572952441.db2.gz FOTJYNNVULVLPY-UHFFFAOYSA-N 0 0 193.246 1.878 10 0 ADAERN CC(C)=CCCCC(=O)OCCO 238144310 572952446 /nfs/dbraw/zinc/95/24/46/572952446.db2.gz NMMITWKZMQJIKA-UHFFFAOYSA-N 0 0 186.251 1.658 10 0 ADAERN CC(C)OCC(=O)c1cnccn1 86521391 572952467 /nfs/dbraw/zinc/95/24/67/572952467.db2.gz ZQXXGOFRJDEACJ-UHFFFAOYSA-N 0 0 180.207 1.084 10 0 ADAERN CCc1ccc([C@H](O)COC)s1 86519677 572952493 /nfs/dbraw/zinc/95/24/93/572952493.db2.gz NUDLVYFYFBTQGF-MRVPVSSYSA-N 0 0 186.276 1.990 10 0 ADAERN CCCOCC(=O)c1ccncc1 86521365 572952497 /nfs/dbraw/zinc/95/24/97/572952497.db2.gz SIYLQPIXULSCMK-UHFFFAOYSA-N 0 0 179.219 1.691 10 0 ADAERN CCOC[C@@H](O)c1ccc(C)o1 86519090 572952499 /nfs/dbraw/zinc/95/24/99/572952499.db2.gz LGWATTPNKMWPBZ-MRVPVSSYSA-N 0 0 170.208 1.658 10 0 ADAERN COC[C@@H](O)c1ccc(OC)c(C)c1 86519525 572952500 /nfs/dbraw/zinc/95/25/00/572952500.db2.gz JYMUCUZOOGPYRT-SNVBAGLBSA-N 0 0 196.246 1.683 10 0 ADAERN CC(=O)OCCCC(=O)C1CC1 238143711 572952740 /nfs/dbraw/zinc/95/27/40/572952740.db2.gz JJGVAWOTJVEVOD-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN O=Cc1cc(-c2ccncc2)no1 58518609 572952533 /nfs/dbraw/zinc/95/25/33/572952533.db2.gz ZKUGDTHNBLXBGJ-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CCCOC[C@@]1(O)CC[C@H](C)C1 86520311 572952534 /nfs/dbraw/zinc/95/25/34/572952534.db2.gz QNNTZGVRLLTLPE-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCCOCC(=O)CC(F)(F)F 86521423 572952537 /nfs/dbraw/zinc/95/25/37/572952537.db2.gz VEMUQUFECADRHV-UHFFFAOYSA-N 0 0 184.157 1.935 10 0 ADAERN Cc1cc(F)c2nccc(NN)c2c1 51151983 572952540 /nfs/dbraw/zinc/95/25/40/572952540.db2.gz KGKJTCZUCYKCLL-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN CCOc1cccc([C@H](O)COC)c1 86519011 572952546 /nfs/dbraw/zinc/95/25/46/572952546.db2.gz PNYRTRFBOFGCRO-LLVKDONJSA-N 0 0 196.246 1.765 10 0 ADAERN CCOCC(=O)Cc1nc(C)cs1 86521526 572952741 /nfs/dbraw/zinc/95/27/41/572952741.db2.gz OKHXGHXLPXFJTP-UHFFFAOYSA-N 0 0 199.275 1.600 10 0 ADAERN Cc1ccc([C@@H]2CCNC2=O)c(C)c1 58520963 572952561 /nfs/dbraw/zinc/95/25/61/572952561.db2.gz DTUNDONVKCBDJJ-NSHDSACASA-N 0 0 189.258 1.907 10 0 ADAERN CC(C)OCC(=O)c1ccccn1 86521352 572952569 /nfs/dbraw/zinc/95/25/69/572952569.db2.gz WHBVILFGOVMUDA-UHFFFAOYSA-N 0 0 179.219 1.689 10 0 ADAERN CCCOC[C@@H](O)[C@@H]1CCCOC1 86519767 572952571 /nfs/dbraw/zinc/95/25/71/572952571.db2.gz VGJJQHUSNNFUDV-NXEZZACHSA-N 0 0 188.267 1.201 10 0 ADAERN CCCOC[C@@H](O)c1cncn1CC 86521225 572952578 /nfs/dbraw/zinc/95/25/78/572952578.db2.gz SXPCKRJRESHMMU-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN O=Cc1cc(-c2ccco2)no1 58517918 572952743 /nfs/dbraw/zinc/95/27/43/572952743.db2.gz FTYPPBWGAKYRFD-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN CC(C)OCC(=O)[C@@H]1CCOC1 86521853 572952589 /nfs/dbraw/zinc/95/25/89/572952589.db2.gz QASILIFKRQMIPS-MRVPVSSYSA-N 0 0 172.224 1.017 10 0 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ADAERN c1ccc(-c2ncco2)nc1 58517553 572953489 /nfs/dbraw/zinc/95/34/89/572953489.db2.gz BNBQQYFXBLBYJK-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN COCCC[C@H](O)COC(C)C 86523057 572953518 /nfs/dbraw/zinc/95/35/18/572953518.db2.gz MLAJIQLCUMWLLG-VIFPVBQESA-N 0 0 176.256 1.199 10 0 ADAERN CCCOC[C@H](O)[C@H](C)OCC 86522947 572953521 /nfs/dbraw/zinc/95/35/21/572953521.db2.gz NOQDSWHUFAFZHS-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN Cc1cc(CCNN)ccc1F 58518223 572952916 /nfs/dbraw/zinc/95/29/16/572952916.db2.gz DMOLHKSCJHTIGO-UHFFFAOYSA-N 0 0 168.215 1.140 10 0 ADAERN CC(=O)OCCCCC/C=C/CO 238144410 572952937 /nfs/dbraw/zinc/95/29/37/572952937.db2.gz DVWLYWQFZUBMOX-GQCTYLIASA-N 0 0 186.251 1.658 10 0 ADAERN Cc1ccc([C@H]2CCNC2=O)c(C)c1 58520967 572952959 /nfs/dbraw/zinc/95/29/59/572952959.db2.gz DTUNDONVKCBDJJ-LLVKDONJSA-N 0 0 189.258 1.907 10 0 ADAERN O[C@@H]1CC[C@@H](c2ccncc2)C1 58517964 572952974 /nfs/dbraw/zinc/95/29/74/572952974.db2.gz RVUDRUQVIRHBNX-NXEZZACHSA-N 0 0 163.220 1.710 10 0 ADAERN 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/nfs/dbraw/zinc/95/32/82/572953282.db2.gz NOQDSWHUFAFZHS-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN Cc1cccnc1[C@H](O)COC(C)C 86522627 572953291 /nfs/dbraw/zinc/95/32/91/572953291.db2.gz DUVBDNUGLLNFGU-SNVBAGLBSA-N 0 0 195.262 1.848 10 0 ADAERN O[C@@H]1CC[C@@H](c2ccccn2)C1 58517947 572953339 /nfs/dbraw/zinc/95/33/39/572953339.db2.gz UYMSAHDGYMRMOO-RKDXNWHRSA-N 0 0 163.220 1.710 10 0 ADAERN CCOCC(=O)C(C)(C)OC 86522433 572953376 /nfs/dbraw/zinc/95/33/76/572953376.db2.gz LSMPGGKPFGOTTG-UHFFFAOYSA-N 0 0 160.213 1.017 10 0 ADAERN CC(C)OC[C@@H](O)C[C@@H]1CCCO1 86522485 572953379 /nfs/dbraw/zinc/95/33/79/572953379.db2.gz DHAUBSYFUQRVMN-UWVGGRQHSA-N 0 0 188.267 1.341 10 0 ADAERN COC[C@@H](O)C(C)(C)c1ccccc1 86522765 572953389 /nfs/dbraw/zinc/95/33/89/572953389.db2.gz QIUWIQHISQCDJL-LLVKDONJSA-N 0 0 194.274 1.972 10 0 ADAERN O[C@@H]1CC[C@H](c2cccnc2)C1 58517959 572953402 /nfs/dbraw/zinc/95/34/02/572953402.db2.gz QPBQALHZRHAFNC-WCBMZHEXSA-N 0 0 163.220 1.710 10 0 ADAERN Cc1cccnc1[C@@H](O)COC(C)C 86522629 572953418 /nfs/dbraw/zinc/95/34/18/572953418.db2.gz DUVBDNUGLLNFGU-JTQLQIEISA-N 0 0 195.262 1.848 10 0 ADAERN CC(C)Cc1ncco1 58517475 572953468 /nfs/dbraw/zinc/95/34/68/572953468.db2.gz XEJOPTLLRABUQZ-UHFFFAOYSA-N 0 0 125.171 1.873 10 0 ADAERN CC[C@@H]1CNC(=O)c2ccccc21 58518743 572953485 /nfs/dbraw/zinc/95/34/85/572953485.db2.gz LIIOCRKXXCZANO-MRVPVSSYSA-N 0 0 175.231 1.924 10 0 ADAERN CCOCC(=O)[C@H]1CCCOC1 86521869 572953557 /nfs/dbraw/zinc/95/35/57/572953557.db2.gz ILGBJQXXUITYJV-QMMMGPOBSA-N 0 0 172.224 1.019 10 0 ADAERN CCOC[C@H](O)[C@@H]1Cc2ccccc21 86523037 572953500 /nfs/dbraw/zinc/95/35/00/572953500.db2.gz SEMJTYUTWWBVPV-NEPJUHHUSA-N 0 0 192.258 1.724 10 0 ADAERN CC(C)=CCC[C@@](C)(O)OCCO 238147956 572953634 /nfs/dbraw/zinc/95/36/34/572953634.db2.gz PNKPYTMPRHIPBS-JTQLQIEISA-N 0 0 188.267 1.450 10 0 ADAERN CC(C)COC(=O)c1ccc(=O)[nH]c1 238148795 572953639 /nfs/dbraw/zinc/95/36/39/572953639.db2.gz MASLVDOPYPRFKX-UHFFFAOYSA-N 0 0 195.218 1.188 10 0 ADAERN 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174.240 1.406 10 0 ADAERN CCCOC[C@H](O)C1CCC1 86523010 572953754 /nfs/dbraw/zinc/95/37/54/572953754.db2.gz JPVAXALQMDMJLK-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)COC(=O)[C@@H](C)[C@@H](C)O 238147287 572953810 /nfs/dbraw/zinc/95/38/10/572953810.db2.gz AYLKXZOMVGEAAC-JGVFFNPUSA-N 0 0 174.240 1.203 10 0 ADAERN CC(C)=C[C@]1(C)C(=O)CC[C@@H]1O 208174701 572953828 /nfs/dbraw/zinc/95/38/28/572953828.db2.gz RUVVMDNJCQEWQR-WPRPVWTQSA-N 0 0 168.236 1.683 10 0 ADAERN COCC[S@](=O)c1cccc(N)c1 88063360 572953843 /nfs/dbraw/zinc/95/38/43/572953843.db2.gz VTQPSJXDVPZUDU-CYBMUJFWSA-N 0 0 199.275 1.023 10 0 ADAERN CN[C@H](COC(C)C)c1ncccn1 86524365 572953844 /nfs/dbraw/zinc/95/38/44/572953844.db2.gz BZXMYLHQKONVDT-SECBINFHSA-N 0 0 195.266 1.162 10 0 ADAERN CC(C)OC[C@@H](O)Cc1ccncc1 86522681 572953856 /nfs/dbraw/zinc/95/38/56/572953856.db2.gz RVEGEKSQZRSVHR-NSHDSACASA-N 0 0 195.262 1.410 10 0 ADAERN CCCOC[C@@H](O)CSCC 86523062 572953859 /nfs/dbraw/zinc/95/38/59/572953859.db2.gz RJROUTNPZBMNQH-MRVPVSSYSA-N 0 0 178.297 1.527 10 0 ADAERN CCOC[C@@H](O)Cc1cccnc1 86522674 572953862 /nfs/dbraw/zinc/95/38/62/572953862.db2.gz IAYZZVOGNVLYGH-JTQLQIEISA-N 0 0 181.235 1.022 10 0 ADAERN CC(C)=CCC[C@H](CO)CCO 238148934 572953875 /nfs/dbraw/zinc/95/38/75/572953875.db2.gz HGLXPWWNBCNHBH-JTQLQIEISA-N 0 0 172.268 1.724 10 0 ADAERN CC(C)CCC[C@@](C)(O)C(N)=O 238148359 572953916 /nfs/dbraw/zinc/95/39/16/572953916.db2.gz DKXXJNVFSGHZER-SECBINFHSA-N 0 0 173.256 1.049 10 0 ADAERN CC(C)=C[C@@]1(C)C(=O)CC[C@H]1O 208174631 572953881 /nfs/dbraw/zinc/95/38/81/572953881.db2.gz RUVVMDNJCQEWQR-PSASIEDQSA-N 0 0 168.236 1.683 10 0 ADAERN CCOC[C@H](O)c1ncccc1C 86522624 572953883 /nfs/dbraw/zinc/95/38/83/572953883.db2.gz PDKDLWLJWSVGGO-VIFPVBQESA-N 0 0 181.235 1.460 10 0 ADAERN CC(C)=CCC[C@@](C)([NH3+])C(=O)[O-] 238147469 572953896 /nfs/dbraw/zinc/95/38/96/572953896.db2.gz XDJIBKDOYRFMAM-SECBINFHSA-N 0 0 171.240 1.535 10 0 ADAERN CC(C)CCC[C@@H]1CC(=O)NC1=O 238147817 572953898 /nfs/dbraw/zinc/95/38/98/572953898.db2.gz IEFGQHSCCIXJJL-MRVPVSSYSA-N 0 0 183.251 1.475 10 0 ADAERN CC(=O)OCC[C@H]1CCC(=O)C1 238148982 572953928 /nfs/dbraw/zinc/95/39/28/572953928.db2.gz VCCDBINTPAZGID-MRVPVSSYSA-N 0 0 170.208 1.309 10 0 ADAERN COC[C@H](O)C(C)(C)c1ccccc1 86522768 572953948 /nfs/dbraw/zinc/95/39/48/572953948.db2.gz QIUWIQHISQCDJL-NSHDSACASA-N 0 0 194.274 1.972 10 0 ADAERN CCCN[C@H](COC)c1ncccn1 86524379 572953950 /nfs/dbraw/zinc/95/39/50/572953950.db2.gz ZRUMECXZZVRPSO-SECBINFHSA-N 0 0 195.266 1.164 10 0 ADAERN CC(=O)OCC[C@@H]1CCCC[C@H]1O 238148163 572953966 /nfs/dbraw/zinc/95/39/66/572953966.db2.gz DCNSBRULZXEDCU-VHSXEESVSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)C[N@@H+]1CC[C@H](CC(=O)[O-])[C@@H]1C 238151720 572953968 /nfs/dbraw/zinc/95/39/68/572953968.db2.gz SQMYCABYMUPUFQ-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN CCCOC[C@H](NC)c1ncccn1 86524368 572953974 /nfs/dbraw/zinc/95/39/74/572953974.db2.gz ZBRFBHMNTBNNMK-VIFPVBQESA-N 0 0 195.266 1.164 10 0 ADAERN CC(C)CCC[C@]1(C)NC(=O)NC1=O 238151343 572953992 /nfs/dbraw/zinc/95/39/92/572953992.db2.gz GBQPGYNLEUBSAO-JTQLQIEISA-N 0 0 198.266 1.411 10 0 ADAERN CCCOC[C@@H](O)CSC(C)C 86523069 572954012 /nfs/dbraw/zinc/95/40/12/572954012.db2.gz MWZBUBRTZHZFKW-SECBINFHSA-N 0 0 192.324 1.916 10 0 ADAERN CCCOC[C@@H](O)[C@@H](C)OCC 86522946 572954020 /nfs/dbraw/zinc/95/40/20/572954020.db2.gz NOQDSWHUFAFZHS-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN CCO[C@@H](C)[C@H](O)COC(C)C 86522957 572954021 /nfs/dbraw/zinc/95/40/21/572954021.db2.gz GGBBDTPXAVDXJV-DTWKUNHWSA-N 0 0 176.256 1.197 10 0 ADAERN CCN[C@@H](COCC)c1ncccn1 86524374 572954030 /nfs/dbraw/zinc/95/40/30/572954030.db2.gz MJCNSNMTVGMXJC-VIFPVBQESA-N 0 0 195.266 1.164 10 0 ADAERN CCOC[C@H](O)Cc1cccnc1 86522672 572954037 /nfs/dbraw/zinc/95/40/37/572954037.db2.gz IAYZZVOGNVLYGH-SNVBAGLBSA-N 0 0 181.235 1.022 10 0 ADAERN CC(C)=CCCC[C@@H]([NH3+])C(=O)[O-] 238144901 572954331 /nfs/dbraw/zinc/95/43/31/572954331.db2.gz KETMIENTAMGEOF-MRVPVSSYSA-N 0 0 171.240 1.535 10 0 ADAERN CC(C)COC(=O)[C@@H](C)[C@H](C)O 238147335 572954077 /nfs/dbraw/zinc/95/40/77/572954077.db2.gz AYLKXZOMVGEAAC-YUMQZZPRSA-N 0 0 174.240 1.203 10 0 ADAERN CC(C)=CCCC[C@H]([NH3+])C(=O)[O-] 238145139 572954081 /nfs/dbraw/zinc/95/40/81/572954081.db2.gz KETMIENTAMGEOF-QMMMGPOBSA-N 0 0 171.240 1.535 10 0 ADAERN CCOC[C@@H](O)c1cccc(C)n1 86522879 572954092 /nfs/dbraw/zinc/95/40/92/572954092.db2.gz CXVOUFINNAHAJM-SNVBAGLBSA-N 0 0 181.235 1.460 10 0 ADAERN CC(C)OCC(=O)[C@@H]1CCCOC1 86521863 572954112 /nfs/dbraw/zinc/95/41/12/572954112.db2.gz VMKOQCDPKMLRQB-SECBINFHSA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)OC[C@H](O)Cc1cccnc1 86522675 572954117 /nfs/dbraw/zinc/95/41/17/572954117.db2.gz HTFJGVFQBJDQOC-LLVKDONJSA-N 0 0 195.262 1.410 10 0 ADAERN CC(C)OCC(=O)[C@H]1CCCOC1 86521865 572954121 /nfs/dbraw/zinc/95/41/21/572954121.db2.gz VMKOQCDPKMLRQB-VIFPVBQESA-N 0 0 186.251 1.407 10 0 ADAERN CC(C)COC(=O)[C@H](C)[C@@H](C)O 238148078 572954122 /nfs/dbraw/zinc/95/41/22/572954122.db2.gz AYLKXZOMVGEAAC-HTQZYQBOSA-N 0 0 174.240 1.203 10 0 ADAERN CCCOC[C@H](O)c1cccc(C)n1 86522874 572954123 /nfs/dbraw/zinc/95/41/23/572954123.db2.gz STPTUQIFEVFHDE-NSHDSACASA-N 0 0 195.262 1.850 10 0 ADAERN CC(C)CCC[C@@H]1CNC(=O)C1 238147988 572954124 /nfs/dbraw/zinc/95/41/24/572954124.db2.gz CYTRIRKSMXISMS-VIFPVBQESA-N 0 0 169.268 1.949 10 0 ADAERN CC(C)CCC[C@@H](CO)CCO 238147623 572954137 /nfs/dbraw/zinc/95/41/37/572954137.db2.gz VGDFFMQJYAAZTM-SNVBAGLBSA-N 0 0 174.284 1.804 10 0 ADAERN Cc1ccnc([C@H](O)COC(C)C)c1 86522898 572954138 /nfs/dbraw/zinc/95/41/38/572954138.db2.gz VVIJNGGYEXVKEP-LLVKDONJSA-N 0 0 195.262 1.848 10 0 ADAERN CCCOC[C@@H](O)Cc1cccnc1 86522670 572954142 /nfs/dbraw/zinc/95/41/42/572954142.db2.gz AZPKFFYRQSPLLV-NSHDSACASA-N 0 0 195.262 1.412 10 0 ADAERN CCCOC[C@H](O)[C@@H]1C[C@@H]1C 86523464 572954154 /nfs/dbraw/zinc/95/41/54/572954154.db2.gz ZNIPZSYLAJOKLH-YIZRAAEISA-N 0 0 158.241 1.430 10 0 ADAERN CCN[C@H](COCC)c1ncccn1 86524375 572954156 /nfs/dbraw/zinc/95/41/56/572954156.db2.gz MJCNSNMTVGMXJC-SECBINFHSA-N 0 0 195.266 1.164 10 0 ADAERN CCCOCC(=O)[C@@H]1CCCOC1 86521870 572954165 /nfs/dbraw/zinc/95/41/65/572954165.db2.gz CLBDOKPPNJBGHG-SECBINFHSA-N 0 0 186.251 1.409 10 0 ADAERN CCO[C@@H](C)[C@@H](O)COC(C)C 86522961 572954242 /nfs/dbraw/zinc/95/42/42/572954242.db2.gz GGBBDTPXAVDXJV-IUCAKERBSA-N 0 0 176.256 1.197 10 0 ADAERN COc1ncc(CO)c2ccccc12 234938320 572954246 /nfs/dbraw/zinc/95/42/46/572954246.db2.gz SIQRWFFISFPXOI-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN CC(C)[C@@H](CO)N(O)c1ccccc1 238151862 572954334 /nfs/dbraw/zinc/95/43/34/572954334.db2.gz JCBGTYNNTQCSAQ-LLVKDONJSA-N 0 0 195.262 1.899 10 0 ADAERN CC(C)OC[C@H](O)C[C@@H]1CCCO1 86522482 572954305 /nfs/dbraw/zinc/95/43/05/572954305.db2.gz DHAUBSYFUQRVMN-ZJUUUORDSA-N 0 0 188.267 1.341 10 0 ADAERN CC(C)CCC[C@@]1(C)NC(=O)NC1=O 238148602 572954323 /nfs/dbraw/zinc/95/43/23/572954323.db2.gz GBQPGYNLEUBSAO-SNVBAGLBSA-N 0 0 198.266 1.411 10 0 ADAERN CC(C)OC[C@@H](O)C[C@H]1CCCO1 86522487 572954356 /nfs/dbraw/zinc/95/43/56/572954356.db2.gz DHAUBSYFUQRVMN-VHSXEESVSA-N 0 0 188.267 1.341 10 0 ADAERN CCOC[S@](=O)c1cccc(N)c1 88063508 572954360 /nfs/dbraw/zinc/95/43/60/572954360.db2.gz QHTUQAWBYBBHKD-CYBMUJFWSA-N 0 0 199.275 1.370 10 0 ADAERN CCCOC[C@@H](O)c1cc(C)ccn1 86522891 572954362 /nfs/dbraw/zinc/95/43/62/572954362.db2.gz ZPLOXDXOSOAZBJ-LLVKDONJSA-N 0 0 195.262 1.850 10 0 ADAERN CC(C)OC[C@H](O)C[C@H]1CCCO1 86522486 572954395 /nfs/dbraw/zinc/95/43/95/572954395.db2.gz DHAUBSYFUQRVMN-NXEZZACHSA-N 0 0 188.267 1.341 10 0 ADAERN CC(C)OC[C@H](O)Cc1ccccn1 86522489 572954398 /nfs/dbraw/zinc/95/43/98/572954398.db2.gz DPFVGGKIUNGJOI-LLVKDONJSA-N 0 0 195.262 1.410 10 0 ADAERN CCOCC(=O)COC(C)C 86522110 572954411 /nfs/dbraw/zinc/95/44/11/572954411.db2.gz IKDVIHRECCDSTO-UHFFFAOYSA-N 0 0 160.213 1.017 10 0 ADAERN CC(C)OC[C@@H](O)CC(F)(F)F 86522566 572954447 /nfs/dbraw/zinc/95/44/47/572954447.db2.gz NFWNUJMCGQFTRJ-LURJTMIESA-N 0 0 186.173 1.725 10 0 ADAERN COc1c([C@H](C)NN)ccc(C)c1C 234938796 572954475 /nfs/dbraw/zinc/95/44/75/572954475.db2.gz JSMMSPKXMNKREH-VIFPVBQESA-N 0 0 194.278 1.836 10 0 ADAERN COC[C@@H](O)Cc1ccc(OC)cc1 86522546 572954502 /nfs/dbraw/zinc/95/45/02/572954502.db2.gz HWOOSWOICUTOSN-JTQLQIEISA-N 0 0 196.246 1.245 10 0 ADAERN CCOC[C@H](O)c1cccc(C)n1 86522878 572954523 /nfs/dbraw/zinc/95/45/23/572954523.db2.gz CXVOUFINNAHAJM-JTQLQIEISA-N 0 0 181.235 1.460 10 0 ADAERN COCC[S@@](=O)c1cccc(N)c1 88063359 572954527 /nfs/dbraw/zinc/95/45/27/572954527.db2.gz VTQPSJXDVPZUDU-ZDUSSCGKSA-N 0 0 199.275 1.023 10 0 ADAERN CCCOC[C@@H](O)c1cccc(C)n1 86522876 572954546 /nfs/dbraw/zinc/95/45/46/572954546.db2.gz STPTUQIFEVFHDE-LLVKDONJSA-N 0 0 195.262 1.850 10 0 ADAERN CC(C)C[C@H]1C[C@@](C)(CCO)ON1 238151552 572954556 /nfs/dbraw/zinc/95/45/56/572954556.db2.gz SJGYQQPBPOVETF-VHSXEESVSA-N 0 0 187.283 1.467 10 0 ADAERN CC(C)COC(=O)SCCO 238147002 572954589 /nfs/dbraw/zinc/95/45/89/572954589.db2.gz RKRMZKMRPIGVNM-UHFFFAOYSA-N 0 0 178.253 1.505 10 0 ADAERN CCCOC[C@@H](O)CC(F)(F)F 86522561 572954593 /nfs/dbraw/zinc/95/45/93/572954593.db2.gz JSOZCQVGMSGRDU-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN CC(C)=C[C@@]1(C)C(=O)CC[C@@H]1O 208174668 572954594 /nfs/dbraw/zinc/95/45/94/572954594.db2.gz RUVVMDNJCQEWQR-WCBMZHEXSA-N 0 0 168.236 1.683 10 0 ADAERN CCOC[C@@H](O)c1ncccc1C 86522626 572954595 /nfs/dbraw/zinc/95/45/95/572954595.db2.gz PDKDLWLJWSVGGO-SECBINFHSA-N 0 0 181.235 1.460 10 0 ADAERN CC(C)OC[C@@H](O)Cc1cccnc1 86522677 572954605 /nfs/dbraw/zinc/95/46/05/572954605.db2.gz HTFJGVFQBJDQOC-NSHDSACASA-N 0 0 195.262 1.410 10 0 ADAERN CN[C@@H](COC(C)C)c1ncccn1 86524364 572954622 /nfs/dbraw/zinc/95/46/22/572954622.db2.gz BZXMYLHQKONVDT-VIFPVBQESA-N 0 0 195.266 1.162 10 0 ADAERN Cc1cccc([C@H](O)COC(C)C)n1 86522882 572954662 /nfs/dbraw/zinc/95/46/62/572954662.db2.gz QZUGDILDTIKBMR-LLVKDONJSA-N 0 0 195.262 1.848 10 0 ADAERN CCOC[C@@H](O)c1cc(C)ccn1 86522895 572954667 /nfs/dbraw/zinc/95/46/67/572954667.db2.gz HOTHOYVRYVCNNT-SNVBAGLBSA-N 0 0 181.235 1.460 10 0 ADAERN CCc1ccc(NC(=O)C(C)=O)cc1 58521433 572954690 /nfs/dbraw/zinc/95/46/90/572954690.db2.gz WXEBVZGJLJKLLG-UHFFFAOYSA-N 0 0 191.230 1.777 10 0 ADAERN CCOC[S@@](=O)c1cccc(N)c1 88063507 572954696 /nfs/dbraw/zinc/95/46/96/572954696.db2.gz QHTUQAWBYBBHKD-ZDUSSCGKSA-N 0 0 199.275 1.370 10 0 ADAERN CCCOCC(=O)[C@H]1C[C@@H]1C 86522105 572954705 /nfs/dbraw/zinc/95/47/05/572954705.db2.gz XUYOLOMSHYZAMT-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN CCCN[C@@H](COC)c1ncccn1 86524378 572954708 /nfs/dbraw/zinc/95/47/08/572954708.db2.gz ZRUMECXZZVRPSO-VIFPVBQESA-N 0 0 195.266 1.164 10 0 ADAERN COc1cccnc1C1(O)CCCC1 234936136 572954759 /nfs/dbraw/zinc/95/47/59/572954759.db2.gz PWQQEWHXXJVGSD-UHFFFAOYSA-N 0 0 193.246 1.852 10 0 ADAERN CC(C)=CCC[C@@](C)(F)[C@H](O)CO 238147435 572954761 /nfs/dbraw/zinc/95/47/61/572954761.db2.gz GMYZJGWYQDTRGG-NXEZZACHSA-N 0 0 190.258 1.814 10 0 ADAERN CC(=O)OCC[C@H]1CCCC[C@@H]1O 238149020 572954828 /nfs/dbraw/zinc/95/48/28/572954828.db2.gz DCNSBRULZXEDCU-ZJUUUORDSA-N 0 0 186.251 1.491 10 0 ADAERN CC(=O)c1ccc(OCCO)cc1C 238144658 572954865 /nfs/dbraw/zinc/95/48/65/572954865.db2.gz SFVWQLBDKWHIJB-UHFFFAOYSA-N 0 0 194.230 1.569 10 0 ADAERN CC(C)C[C@@H](O)SCC[NH+](C)C 238151596 572954871 /nfs/dbraw/zinc/95/48/71/572954871.db2.gz QAPCCNILMKSNSP-VIFPVBQESA-N 0 0 191.340 1.646 10 0 ADAERN COc1cccnc1C1=C[C@H](O)CC1 234938034 572954896 /nfs/dbraw/zinc/95/48/96/572954896.db2.gz OJGUKBUXCLSGSS-SECBINFHSA-N 0 0 191.230 1.628 10 0 ADAERN CC(C)CCC[C@](C)(O)C(N)=O 238151179 572954900 /nfs/dbraw/zinc/95/49/00/572954900.db2.gz DKXXJNVFSGHZER-VIFPVBQESA-N 0 0 173.256 1.049 10 0 ADAERN CC(=O)OCC[C@@H]1CCC(=O)C1 238148073 572954902 /nfs/dbraw/zinc/95/49/02/572954902.db2.gz VCCDBINTPAZGID-QMMMGPOBSA-N 0 0 170.208 1.309 10 0 ADAERN O[C@@H]1CCC[C@H]1CCOCC1CC1 86547866 572955267 /nfs/dbraw/zinc/95/52/67/572955267.db2.gz MPCKCSGSLHKKPZ-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN CC(=O)OCC[C@@H]1CCCC[C@@H]1O 238148137 572955042 /nfs/dbraw/zinc/95/50/42/572955042.db2.gz DCNSBRULZXEDCU-UWVGGRQHSA-N 0 0 186.251 1.491 10 0 ADAERN C=C(C(=O)OCC)c1ccccn1 169198633 572955067 /nfs/dbraw/zinc/95/50/67/572955067.db2.gz MIIZGVHCAYCEER-UHFFFAOYSA-N 0 0 177.203 1.658 10 0 ADAERN CCCOCC[C@H]1CCC[C@@H]1O 86547870 572955126 /nfs/dbraw/zinc/95/51/26/572955126.db2.gz MUYZIBCFJIZQLU-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)CO[C@@H](C)C(C)(CO)CO 238153680 572955296 /nfs/dbraw/zinc/95/52/96/572955296.db2.gz XCQAXRYOFRFOAH-VIFPVBQESA-N 0 0 190.283 1.038 10 0 ADAERN CC(C)CCN(C[C@H](C)O)N=O 238154546 572955299 /nfs/dbraw/zinc/95/52/99/572955299.db2.gz HXKMSNKMLJPCFL-QMMMGPOBSA-N 0 0 174.244 1.397 10 0 ADAERN CC(C)=CCC[C@](C)(F)[C@H](O)CO 238149767 572955304 /nfs/dbraw/zinc/95/53/04/572955304.db2.gz GMYZJGWYQDTRGG-ZJUUUORDSA-N 0 0 190.258 1.814 10 0 ADAERN CCCOCC[C@H]1CCC[C@H]1O 86547872 572955308 /nfs/dbraw/zinc/95/53/08/572955308.db2.gz MUYZIBCFJIZQLU-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(=O)OC[C@@H](O)C1=CCCCC1 238153677 572955345 /nfs/dbraw/zinc/95/53/45/572955345.db2.gz XRXCOHUEFMLVHH-SNVBAGLBSA-N 0 0 184.235 1.411 10 0 ADAERN COc1cccnc1C1=C[C@@H](O)CC1 234937562 572955348 /nfs/dbraw/zinc/95/53/48/572955348.db2.gz OJGUKBUXCLSGSS-VIFPVBQESA-N 0 0 191.230 1.628 10 0 ADAERN CC(C)C[C@@H](O)CC(=S)N(C)C 238150751 572955406 /nfs/dbraw/zinc/95/54/06/572955406.db2.gz APKDVZYHMXRENY-MRVPVSSYSA-N 0 0 189.324 1.673 10 0 ADAERN CC(C)=CCOCC(C)(C)CO 238152747 572955412 /nfs/dbraw/zinc/95/54/12/572955412.db2.gz ODPUDMHFUNEJKY-UHFFFAOYSA-N 0 0 172.268 1.988 10 0 ADAERN CC(C)CCN(C[C@@H](C)O)N=O 238154470 572955416 /nfs/dbraw/zinc/95/54/16/572955416.db2.gz HXKMSNKMLJPCFL-MRVPVSSYSA-N 0 0 174.244 1.397 10 0 ADAERN CC(=O)OCC[C@H]1CCCC[C@H]1O 238149052 572955449 /nfs/dbraw/zinc/95/54/49/572955449.db2.gz DCNSBRULZXEDCU-NXEZZACHSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)=CCC[C@](C)(O)OCCO 238150150 572955464 /nfs/dbraw/zinc/95/54/64/572955464.db2.gz 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1.933 10 0 ADAERN CC(C)Oc1cnc(OC(C)C)n1C 238163218 572958638 /nfs/dbraw/zinc/95/86/38/572958638.db2.gz BMSRQMSZJAMEHQ-UHFFFAOYSA-N 0 0 198.266 1.995 10 0 ADAERN CO[C@H](C)c1noc(CNC(C)C)n1 86574076 572958639 /nfs/dbraw/zinc/95/86/39/572958639.db2.gz ZLWIIRJBAFURMZ-SSDOTTSWSA-N 0 0 199.254 1.275 10 0 ADAERN CC[C@@H](NC)c1nc([C@H](C)OC)no1 86574119 572958653 /nfs/dbraw/zinc/95/86/53/572958653.db2.gz RYRSIFQGEACMRP-NKWVEPMBSA-N 0 0 199.254 1.448 10 0 ADAERN CO[C@H](C)C(=O)Cc1ccccn1 86574415 572958671 /nfs/dbraw/zinc/95/86/71/572958671.db2.gz VQQJZUNTJZCWIX-MRVPVSSYSA-N 0 0 179.219 1.228 10 0 ADAERN CO[C@H](C)c1noc([C@H](N)C2CC2)n1 86574037 572958674 /nfs/dbraw/zinc/95/86/74/572958674.db2.gz PBUKBFXNKYYCFG-IYSWYEEDSA-N 0 0 197.238 1.187 10 0 ADAERN CO[C@H](C)[C@@H](O)CCC1CC1 86575368 572958684 /nfs/dbraw/zinc/95/86/84/572958684.db2.gz UKKXWXFNIGTZFP-APPZFPTMSA-N 0 0 158.241 1.572 10 0 ADAERN CO[C@H](C)[C@@H](O)Cc1ccccc1 86575041 572958698 /nfs/dbraw/zinc/95/86/98/572958698.db2.gz RNJWUEDQIXRSHA-KOLCDFICSA-N 0 0 180.247 1.625 10 0 ADAERN CO[C@@H](C)[C@H](O)Cc1ccc(C)cc1 86575560 572958741 /nfs/dbraw/zinc/95/87/41/572958741.db2.gz VWCGVDBQVOTFAG-CMPLNLGQSA-N 0 0 194.274 1.933 10 0 ADAERN CO[C@H](C)C(=O)Cc1csc(C)n1 86574845 572958752 /nfs/dbraw/zinc/95/87/52/572958752.db2.gz QZJYERDKTQKCKH-ZCFIWIBFSA-N 0 0 199.275 1.598 10 0 ADAERN CO[C@H](C)[C@@H](O)CC1CCCC1 86574973 572958759 /nfs/dbraw/zinc/95/87/59/572958759.db2.gz BWNYFTGINHMGSH-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN CCCn1ccnc1[C@H](O)[C@@H](C)OC 86574982 572958760 /nfs/dbraw/zinc/95/87/60/572958760.db2.gz LZMOXTNZAAVJRE-RKDXNWHRSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](C)c1noc([C@@H](N)C2CC2)n1 86574039 572958771 /nfs/dbraw/zinc/95/87/71/572958771.db2.gz PBUKBFXNKYYCFG-VDTYLAMSSA-N 0 0 197.238 1.187 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1ccncc1 86575004 572958781 /nfs/dbraw/zinc/95/87/81/572958781.db2.gz VFDVTVFNRLYZBG-WPRPVWTQSA-N 0 0 181.235 1.020 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1cccc(F)c1 86574968 572958718 /nfs/dbraw/zinc/95/87/18/572958718.db2.gz MATARBZZODYTGH-KWQFWETISA-N 0 0 198.237 1.764 10 0 ADAERN CO[C@H](C)[C@@H](O)Cc1ccc(F)cc1 86574937 572958722 /nfs/dbraw/zinc/95/87/22/572958722.db2.gz JBRJCHYFDLLSEJ-KCJUWKMLSA-N 0 0 198.237 1.764 10 0 ADAERN CO[C@@H](C)c1noc([C@@H](N)C2CC2)n1 86574038 572958724 /nfs/dbraw/zinc/95/87/24/572958724.db2.gz PBUKBFXNKYYCFG-FSPLSTOPSA-N 0 0 197.238 1.187 10 0 ADAERN COc1cccc([C@H](O)[C@@H](C)OC)c1 86575536 572958729 /nfs/dbraw/zinc/95/87/29/572958729.db2.gz MCKIQDRKDRMGIZ-LDYMZIIASA-N 0 0 196.246 1.764 10 0 ADAERN CO[C@H](C)C(=O)COC(C)C 86574815 572958733 /nfs/dbraw/zinc/95/87/33/572958733.db2.gz QYFIGMXSWQPRLU-SSDOTTSWSA-N 0 0 160.213 1.015 10 0 ADAERN CO[C@@H](C)C(=O)Cc1ccncc1 86574723 572958785 /nfs/dbraw/zinc/95/87/85/572958785.db2.gz MXGHILQKDWYFSI-QMMMGPOBSA-N 0 0 179.219 1.228 10 0 ADAERN CO[C@@H](C)C(=O)Cc1cccc(F)c1 86574574 572958786 /nfs/dbraw/zinc/95/87/86/572958786.db2.gz QGBYWLKLTUEJJF-QMMMGPOBSA-N 0 0 196.221 1.972 10 0 ADAERN CCCn1cc([C@H](O)[C@@H](C)OC)cn1 86574978 572958792 /nfs/dbraw/zinc/95/87/92/572958792.db2.gz VMOIGELXCWJJEW-PSASIEDQSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1cccc(C)c1 86575132 572958799 /nfs/dbraw/zinc/95/87/99/572958799.db2.gz CQFILDWPHZMYBF-JQWIXIFHSA-N 0 0 194.274 1.933 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1ccccc1F 86575471 572958802 /nfs/dbraw/zinc/95/88/02/572958802.db2.gz OHFQTGPAGDKQLB-KWQFWETISA-N 0 0 198.237 1.764 10 0 ADAERN CO[C@@H](C)[C@H](O)Cc1cccc(C)c1 86575133 572958803 /nfs/dbraw/zinc/95/88/03/572958803.db2.gz CQFILDWPHZMYBF-CMPLNLGQSA-N 0 0 194.274 1.933 10 0 ADAERN CO[C@H](C)[C@H](O)Cc1ccccc1F 86575470 572958806 /nfs/dbraw/zinc/95/88/06/572958806.db2.gz OHFQTGPAGDKQLB-LDYMZIIASA-N 0 0 198.237 1.764 10 0 ADAERN CCn1cc(CC(=O)[C@H](C)OC)cn1 86574537 572958807 /nfs/dbraw/zinc/95/88/07/572958807.db2.gz GWJKWZWRAJOBLE-QMMMGPOBSA-N 0 0 196.250 1.050 10 0 ADAERN CO[C@@H](C)[C@H](O)CCC(C)C 86574894 572958808 /nfs/dbraw/zinc/95/88/08/572958808.db2.gz MBOJYPUGVBZPEA-DTWKUNHWSA-N 0 0 160.257 1.818 10 0 ADAERN CO[C@@H](C)[C@H](O)Cc1ccsc1 86575134 572958820 /nfs/dbraw/zinc/95/88/20/572958820.db2.gz SJZURLXHRILITL-IONNQARKSA-N 0 0 186.276 1.686 10 0 ADAERN CCCn1nccc1[C@H](O)[C@H](C)OC 86575336 572958824 /nfs/dbraw/zinc/95/88/24/572958824.db2.gz QTTABAVJHQWMGD-WCBMZHEXSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](C)[C@H](O)Cc1ccccc1C 86575071 572958826 /nfs/dbraw/zinc/95/88/26/572958826.db2.gz JOCRPOPFBXQETC-ZYHUDNBSSA-N 0 0 194.274 1.933 10 0 ADAERN COc1ccccc1[C@@H](O)[C@H](C)OC 86575669 572958842 /nfs/dbraw/zinc/95/88/42/572958842.db2.gz RVXDRZVILFGBIC-KWQFWETISA-N 0 0 196.246 1.764 10 0 ADAERN CO[C@@H](C)C(=O)Cc1ccccn1 86574414 572958852 /nfs/dbraw/zinc/95/88/52/572958852.db2.gz VQQJZUNTJZCWIX-QMMMGPOBSA-N 0 0 179.219 1.228 10 0 ADAERN CO[C@@H](C)[C@H](O)CC1CCCC1 86574970 572958855 /nfs/dbraw/zinc/95/88/55/572958855.db2.gz BWNYFTGINHMGSH-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CCCn1ccnc1[C@H](O)[C@H](C)OC 86574984 572958861 /nfs/dbraw/zinc/95/88/61/572958861.db2.gz LZMOXTNZAAVJRE-DTWKUNHWSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](C)[C@@H](O)Cc1ccccc1F 86575472 572958868 /nfs/dbraw/zinc/95/88/68/572958868.db2.gz OHFQTGPAGDKQLB-KCJUWKMLSA-N 0 0 198.237 1.764 10 0 ADAERN COc1ccccc1[C@H](O)[C@H](C)OC 86575671 572958898 /nfs/dbraw/zinc/95/88/98/572958898.db2.gz RVXDRZVILFGBIC-GZMMTYOYSA-N 0 0 196.246 1.764 10 0 ADAERN CCCn1nccc1[C@H](O)[C@@H](C)OC 86575334 572958901 /nfs/dbraw/zinc/95/89/01/572958901.db2.gz QTTABAVJHQWMGD-PSASIEDQSA-N 0 0 198.266 1.361 10 0 ADAERN CC[C@H](N)c1nc([C@H](C)OC)no1 86574158 572958907 /nfs/dbraw/zinc/95/89/07/572958907.db2.gz AMGMZJOSXBQFRL-WDSKDSINSA-N 0 0 185.227 1.187 10 0 ADAERN CC(C)[C@H]1C[C@@H](C)[NH2+][C@@H]1CCC(=O)[O-] 238168170 572958915 /nfs/dbraw/zinc/95/89/15/572958915.db2.gz JHIWVPMWXQPBRH-OPRDCNLKSA-N 0 0 199.294 1.874 10 0 ADAERN CCCCC[C@H](O)[C@@H](C)OC 86575034 572958933 /nfs/dbraw/zinc/95/89/33/572958933.db2.gz USYVMXNSUAAXRF-BDAKNGLRSA-N 0 0 160.257 1.963 10 0 ADAERN CO[C@@H](C)C(=O)CC1CCOCC1 86574598 572958944 /nfs/dbraw/zinc/95/89/44/572958944.db2.gz KVVTXYPNPRXDKY-QMMMGPOBSA-N 0 0 186.251 1.407 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1cccs1 86575675 572958952 /nfs/dbraw/zinc/95/89/52/572958952.db2.gz NVJDCJMJQHWATK-CBAPKCEASA-N 0 0 186.276 1.686 10 0 ADAERN CO[C@@H](C)C(=O)COC(C)C 86574816 572958972 /nfs/dbraw/zinc/95/89/72/572958972.db2.gz QYFIGMXSWQPRLU-ZETCQYMHSA-N 0 0 160.213 1.015 10 0 ADAERN CO[C@@H](C)C(=O)CCC1CC1 86574608 572958983 /nfs/dbraw/zinc/95/89/83/572958983.db2.gz GMUSJJLZSFKRQG-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1ccc(C)cc1 86575559 572958990 /nfs/dbraw/zinc/95/89/90/572958990.db2.gz VWCGVDBQVOTFAG-JQWIXIFHSA-N 0 0 194.274 1.933 10 0 ADAERN CCCCC[C@@H](O)[C@@H](C)OC 86575035 572959005 /nfs/dbraw/zinc/95/90/05/572959005.db2.gz USYVMXNSUAAXRF-RKDXNWHRSA-N 0 0 160.257 1.963 10 0 ADAERN CCCn1cc([C@@H](O)[C@@H](C)OC)cn1 86574979 572959045 /nfs/dbraw/zinc/95/90/45/572959045.db2.gz VMOIGELXCWJJEW-SCZZXKLOSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](C)[C@@H](O)Cc1cccc(C)c1 86575130 572959058 /nfs/dbraw/zinc/95/90/58/572959058.db2.gz CQFILDWPHZMYBF-PWSUYJOCSA-N 0 0 194.274 1.933 10 0 ADAERN CC(C)CCO[C@H](C)CCO 238166936 572959067 /nfs/dbraw/zinc/95/90/67/572959067.db2.gz ACWMYIHWNRXFPC-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CO[C@H](C)[C@@H](O)Cc1ccncc1 86575005 572959088 /nfs/dbraw/zinc/95/90/88/572959088.db2.gz VFDVTVFNRLYZBG-SCZZXKLOSA-N 0 0 181.235 1.020 10 0 ADAERN CO[C@H](C)[C@H](O)CC1CCOCC1 86575606 572959097 /nfs/dbraw/zinc/95/90/97/572959097.db2.gz OIJFDHAIBRMIOX-PSASIEDQSA-N 0 0 188.267 1.199 10 0 ADAERN CCCn1cc([C@@H](O)[C@H](C)OC)cn1 86574981 572959014 /nfs/dbraw/zinc/95/90/14/572959014.db2.gz VMOIGELXCWJJEW-WPRPVWTQSA-N 0 0 198.266 1.361 10 0 ADAERN CC(=O)[C@](Cl)(CC(C)C)C(N)=O 238167974 572959024 /nfs/dbraw/zinc/95/90/24/572959024.db2.gz PYEQLZQKWHKILC-MRVPVSSYSA-N 0 0 191.658 1.084 10 0 ADAERN CO[C@@H](C)[C@H](O)Cc1cccc(F)c1 86574966 572959031 /nfs/dbraw/zinc/95/90/31/572959031.db2.gz MATARBZZODYTGH-GZMMTYOYSA-N 0 0 198.237 1.764 10 0 ADAERN [NH3+][C@H]1CC(=O)c2cc(F)c([O-])cc21 713797860 572959035 /nfs/dbraw/zinc/95/90/35/572959035.db2.gz VVIQGQSLDQGTMK-ZETCQYMHSA-N 0 0 181.166 1.118 10 0 ADAERN CCn1cc(CC(=O)[C@@H](C)OC)cn1 86574536 572959127 /nfs/dbraw/zinc/95/91/27/572959127.db2.gz GWJKWZWRAJOBLE-MRVPVSSYSA-N 0 0 196.250 1.050 10 0 ADAERN CCCn1ccnc1C(=O)[C@H](C)OC 86574483 572959134 /nfs/dbraw/zinc/95/91/34/572959134.db2.gz YBJDBZZHLAVFEY-QMMMGPOBSA-N 0 0 196.250 1.511 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1ccccn1 86575236 572959137 /nfs/dbraw/zinc/95/91/37/572959137.db2.gz XAVKEECXPPUYOI-WPRPVWTQSA-N 0 0 181.235 1.020 10 0 ADAERN CO[C@@H](C)C(=O)CC[C@H]1CCCO1 86574803 572959139 /nfs/dbraw/zinc/95/91/39/572959139.db2.gz MOPBKKIFCJXEAQ-DTWKUNHWSA-N 0 0 186.251 1.550 10 0 ADAERN CCCc1cc(=O)[nH]c([C@@H](C)OC)n1 86574250 572959141 /nfs/dbraw/zinc/95/91/41/572959141.db2.gz WZTHNWDSCWAJRC-SSDOTTSWSA-N 0 0 196.250 1.430 10 0 ADAERN CO[C@H](C)C(=O)Cc1cccc(F)c1 86574575 572959162 /nfs/dbraw/zinc/95/91/62/572959162.db2.gz QGBYWLKLTUEJJF-MRVPVSSYSA-N 0 0 196.221 1.972 10 0 ADAERN CO[C@@H](C)[C@H](O)Cc1ccc(F)cc1 86574934 572959169 /nfs/dbraw/zinc/95/91/69/572959169.db2.gz JBRJCHYFDLLSEJ-GZMMTYOYSA-N 0 0 198.237 1.764 10 0 ADAERN COc1cccc(C(=O)[C@H](C)OC)c1 86574496 572959178 /nfs/dbraw/zinc/95/91/78/572959178.db2.gz CUEWABVAFREVJL-QMMMGPOBSA-N 0 0 194.230 1.913 10 0 ADAERN CCCc1ccc([C@@H]([NH3+])C(=O)[O-])s1 713797649 572959180 /nfs/dbraw/zinc/95/91/80/572959180.db2.gz UGTPCMOWECKAHZ-MRVPVSSYSA-N 0 0 199.275 1.785 10 0 ADAERN CO[C@@H](C)c1noc([C@H](N)C2CC2)n1 86574036 572959181 /nfs/dbraw/zinc/95/91/81/572959181.db2.gz PBUKBFXNKYYCFG-CAHLUQPWSA-N 0 0 197.238 1.187 10 0 ADAERN Cc1cc(C(=O)c2ccco2)c(N)o1 76191557 572959193 /nfs/dbraw/zinc/95/91/93/572959193.db2.gz QHNXSZLYVMGFHN-UHFFFAOYSA-N 0 0 191.186 1.994 10 0 ADAERN CCCCC[C@@H](O)[C@H](C)OC 86575037 572959209 /nfs/dbraw/zinc/95/92/09/572959209.db2.gz USYVMXNSUAAXRF-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN CO[C@H](C)[C@H](O)Cc1cccc(F)c1 86574967 572959215 /nfs/dbraw/zinc/95/92/15/572959215.db2.gz MATARBZZODYTGH-LDYMZIIASA-N 0 0 198.237 1.764 10 0 ADAERN CCCn1ccnc1C(=O)[C@@H](C)OC 86574482 572959220 /nfs/dbraw/zinc/95/92/20/572959220.db2.gz YBJDBZZHLAVFEY-MRVPVSSYSA-N 0 0 196.250 1.511 10 0 ADAERN CO[C@H](C)[C@H](O)Cc1ccsc1 86575135 572959224 /nfs/dbraw/zinc/95/92/24/572959224.db2.gz SJZURLXHRILITL-VXNVDRBHSA-N 0 0 186.276 1.686 10 0 ADAERN CCCn1cc([C@H](O)[C@H](C)OC)cn1 86574980 572959235 /nfs/dbraw/zinc/95/92/35/572959235.db2.gz VMOIGELXCWJJEW-WCBMZHEXSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](C)C(=O)CC1CCOCC1 86574599 572959251 /nfs/dbraw/zinc/95/92/51/572959251.db2.gz KVVTXYPNPRXDKY-MRVPVSSYSA-N 0 0 186.251 1.407 10 0 ADAERN CCCn1nccc1[C@@H](O)[C@H](C)OC 86575337 572959254 /nfs/dbraw/zinc/95/92/54/572959254.db2.gz QTTABAVJHQWMGD-WPRPVWTQSA-N 0 0 198.266 1.361 10 0 ADAERN CCCn1cc(C(=O)[C@H](C)OC)cn1 86574417 572959256 /nfs/dbraw/zinc/95/92/56/572959256.db2.gz ARZLRIKRMSHSJR-QMMMGPOBSA-N 0 0 196.250 1.511 10 0 ADAERN CO[C@H](C)[C@@H](O)CC1CCOCC1 86575608 572959264 /nfs/dbraw/zinc/95/92/64/572959264.db2.gz OIJFDHAIBRMIOX-SCZZXKLOSA-N 0 0 188.267 1.199 10 0 ADAERN C/C=C\C[C@](C)(CO)C(C)=O 393486638 572959265 /nfs/dbraw/zinc/95/92/65/572959265.db2.gz FINKNFQPKDEGOK-XRVBUDJMSA-N 0 0 156.225 1.540 10 0 ADAERN Cc1cc(N)c2c(c1)C[C@H](C)N2 713797280 572959275 /nfs/dbraw/zinc/95/92/75/572959275.db2.gz LYMNWFAWMKDIOH-ZETCQYMHSA-N 0 0 162.236 1.934 10 0 ADAERN CCCCC[C@H](O)[C@H](C)OC 86575036 572959278 /nfs/dbraw/zinc/95/92/78/572959278.db2.gz USYVMXNSUAAXRF-IUCAKERBSA-N 0 0 160.257 1.963 10 0 ADAERN CO[C@@H](C)[C@H](O)CC1CCOCC1 86575605 572959299 /nfs/dbraw/zinc/95/92/99/572959299.db2.gz OIJFDHAIBRMIOX-WCBMZHEXSA-N 0 0 188.267 1.199 10 0 ADAERN COc1cccc([C@H](O)[C@H](C)OC)c1 86575535 572959302 /nfs/dbraw/zinc/95/93/02/572959302.db2.gz MCKIQDRKDRMGIZ-GZMMTYOYSA-N 0 0 196.246 1.764 10 0 ADAERN CC[C@H](NC)c1nc([C@H](C)OC)no1 86574118 572959305 /nfs/dbraw/zinc/95/93/05/572959305.db2.gz RYRSIFQGEACMRP-BQBZGAKWSA-N 0 0 199.254 1.448 10 0 ADAERN CC(=O)[C@@](C)(CC(C)C)OC(N)=O 238167592 572963439 /nfs/dbraw/zinc/96/34/39/572963439.db2.gz XRYNTXWCLVQJDQ-SECBINFHSA-N 0 0 187.239 1.476 10 0 ADAERN CO[C@H](C)[C@H](O)CCC(C)C 86574892 572959309 /nfs/dbraw/zinc/95/93/09/572959309.db2.gz MBOJYPUGVBZPEA-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN CO[C@H](C)C(=O)Cc1ccncc1 86574724 572959314 /nfs/dbraw/zinc/95/93/14/572959314.db2.gz MXGHILQKDWYFSI-MRVPVSSYSA-N 0 0 179.219 1.228 10 0 ADAERN CCCn1ccnc1[C@@H](O)[C@@H](C)OC 86574983 572959316 /nfs/dbraw/zinc/95/93/16/572959316.db2.gz LZMOXTNZAAVJRE-BDAKNGLRSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](C)C(=O)CC[C@H]1CCCO1 86574804 572959318 /nfs/dbraw/zinc/95/93/18/572959318.db2.gz MOPBKKIFCJXEAQ-RKDXNWHRSA-N 0 0 186.251 1.550 10 0 ADAERN CC[C@@H](N)c1nc([C@H](C)OC)no1 86574159 572959337 /nfs/dbraw/zinc/95/93/37/572959337.db2.gz AMGMZJOSXBQFRL-NTSWFWBYSA-N 0 0 185.227 1.187 10 0 ADAERN C[C@@H]1C(=O)C(C)(C)CC[C@@H]1O 208381705 572959340 /nfs/dbraw/zinc/95/93/40/572959340.db2.gz QNOADJDCUBPXDX-BQBZGAKWSA-N 0 0 156.225 1.373 10 0 ADAERN CC(C)N(CO)C(=O)c1ccccc1 238165076 572959435 /nfs/dbraw/zinc/95/94/35/572959435.db2.gz QZGUCLVAIJGQTB-UHFFFAOYSA-N 0 0 193.246 1.487 10 0 ADAERN COCCCO[C@@H]1CCC[C@@H](O)C1 86603264 572963527 /nfs/dbraw/zinc/96/35/27/572963527.db2.gz FHCWZRFZCHGTSV-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CCCOC[C@H](O)c1cnn(C)c1C 86552700 572959579 /nfs/dbraw/zinc/95/95/79/572959579.db2.gz ABQKUINLMHBQBF-JTQLQIEISA-N 0 0 198.266 1.189 10 0 ADAERN CCCC[C@H](O)c1cnn(C)c1C 86552566 572959592 /nfs/dbraw/zinc/95/95/92/572959592.db2.gz YLNNQHLOYSLNTP-JTQLQIEISA-N 0 0 182.267 1.952 10 0 ADAERN C[N@H+](CC(C)(C)C(=O)[O-])C1CC1 51287505 572959599 /nfs/dbraw/zinc/95/95/99/572959599.db2.gz LVCMTFDRADWVIB-UHFFFAOYSA-N 0 0 171.240 1.191 10 0 ADAERN CCCOC[C@@H](O)c1cnn(C)c1C 86552701 572959625 /nfs/dbraw/zinc/95/96/25/572959625.db2.gz ABQKUINLMHBQBF-SNVBAGLBSA-N 0 0 198.266 1.189 10 0 ADAERN CC(=O)c1cc2ccncc2n1C 82320137 572959629 /nfs/dbraw/zinc/95/96/29/572959629.db2.gz HIEGCBQEFOFBRS-UHFFFAOYSA-N 0 0 174.203 1.776 10 0 ADAERN C[C@@H]1C(=O)C(C)(C)CC[C@H]1O 208381663 572959635 /nfs/dbraw/zinc/95/96/35/572959635.db2.gz QNOADJDCUBPXDX-NKWVEPMBSA-N 0 0 156.225 1.373 10 0 ADAERN CC(C)C[C@H](C)[NH2+][C@@H]1CC[C@H]1C(=O)[O-] 299999545 572959656 /nfs/dbraw/zinc/95/96/56/572959656.db2.gz WNVNUFJMNPFWPR-IVZWLZJFSA-N 0 0 199.294 1.874 10 0 ADAERN Cc1cccc(CCNO)c1 169213738 572959677 /nfs/dbraw/zinc/95/96/77/572959677.db2.gz KRSUIWBYSMYHEO-UHFFFAOYSA-N 0 0 151.209 1.516 10 0 ADAERN CC(C)(C[NH2+]CCC1CC1)C(=O)[O-] 86594503 572959685 /nfs/dbraw/zinc/95/96/85/572959685.db2.gz PLIHEVXRGNOYEU-UHFFFAOYSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1cc(N)c2c(c1)C[C@@H](C)N2 713797278 572959727 /nfs/dbraw/zinc/95/97/27/572959727.db2.gz LYMNWFAWMKDIOH-SSDOTTSWSA-N 0 0 162.236 1.934 10 0 ADAERN CCC[N@H+](CCC(=O)[O-])[C@H](C)CC 58845490 572959813 /nfs/dbraw/zinc/95/98/13/572959813.db2.gz HOZQJMAFWBCINJ-SECBINFHSA-N 0 0 187.283 1.972 10 0 ADAERN Nc1occc1C(=O)c1cscn1 76191464 572959835 /nfs/dbraw/zinc/95/98/35/572959835.db2.gz RISGZXXROKTUPW-UHFFFAOYSA-N 0 0 194.215 1.549 10 0 ADAERN CC(=O)CCC(=O)c1cnn(C)c1C 86552539 572959849 /nfs/dbraw/zinc/95/98/49/572959849.db2.gz KZHNHEPVSHXBRM-UHFFFAOYSA-N 0 0 194.234 1.280 10 0 ADAERN CC(C)C[P@H](=O)OC[C@@H](C)O 238167119 572959852 /nfs/dbraw/zinc/95/98/52/572959852.db2.gz LWWMPOIVSJIJAO-SSDOTTSWSA-N 0 0 180.184 1.515 10 0 ADAERN Cn1ncc2c(-c3ncc[nH]3)cccc21 76188869 572959908 /nfs/dbraw/zinc/95/99/08/572959908.db2.gz MLHRAFUIKNHLLJ-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN Nc1occc1C(=O)c1cccnc1 76191455 572959937 /nfs/dbraw/zinc/95/99/37/572959937.db2.gz HEYDSZBTBRAPHK-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN [NH3+][C@@H]1CC(=O)c2cc(F)c([O-])cc21 713797853 572959945 /nfs/dbraw/zinc/95/99/45/572959945.db2.gz VVIQGQSLDQGTMK-SSDOTTSWSA-N 0 0 181.166 1.118 10 0 ADAERN CCCc1ccc([C@H]([NH3+])C(=O)[O-])s1 713797652 572959953 /nfs/dbraw/zinc/95/99/53/572959953.db2.gz UGTPCMOWECKAHZ-QMMMGPOBSA-N 0 0 199.275 1.785 10 0 ADAERN CO[C@@H](COC1CC(O)C1)C(C)C 310343386 572959962 /nfs/dbraw/zinc/95/99/62/572959962.db2.gz OQHADQDIZXJHLX-RTBKNWGFSA-N 0 0 188.267 1.197 10 0 ADAERN Cn1cc2cc(-c3ncc[nH]3)ccc2n1 76188871 572960042 /nfs/dbraw/zinc/96/00/42/572960042.db2.gz KNSWBHUZNKPBPP-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CC(C)(C[NH2+][C@@H]1CC=CCC1)C(=O)[O-] 86594512 572960049 /nfs/dbraw/zinc/96/00/49/572960049.db2.gz ULOKGRDVCPNLMU-SECBINFHSA-N 0 0 197.278 1.796 10 0 ADAERN CC[C@@H](C)[N@H+](C)CC(C)(C)C(=O)[O-] 51287378 572960079 /nfs/dbraw/zinc/96/00/79/572960079.db2.gz NKNZUVHAIIPIFJ-MRVPVSSYSA-N 0 0 187.283 1.828 10 0 ADAERN CC1(C(=O)N[C@@H](CO)C(C)(C)C)CC1 238168770 572960083 /nfs/dbraw/zinc/96/00/83/572960083.db2.gz CJGHKDDBQDUAKV-QMMMGPOBSA-N 0 0 199.294 1.310 10 0 ADAERN Cn1ncc2cccc(-c3ncc[nH]3)c21 76188868 572960632 /nfs/dbraw/zinc/96/06/32/572960632.db2.gz JYGPKVPLMJSZLM-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CC(C)=C[C@H](O)C(C)(C)CCO 238169096 572960192 /nfs/dbraw/zinc/96/01/92/572960192.db2.gz UKKJTBYGBKMIPE-VIFPVBQESA-N 0 0 172.268 1.722 10 0 ADAERN Cn1ncc2cc(-c3ncc[nH]3)ccc21 76188864 572960198 /nfs/dbraw/zinc/96/01/98/572960198.db2.gz SOLYYUZJLZTIEX-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CC(C)CCOCOCCO 238165400 572960210 /nfs/dbraw/zinc/96/02/10/572960210.db2.gz MBCWDHUBSRHGPE-UHFFFAOYSA-N 0 0 162.229 1.016 10 0 ADAERN CC(=O)OC[C@H](O)c1ccc(F)cc1 238164577 572960494 /nfs/dbraw/zinc/96/04/94/572960494.db2.gz QHSZUCXJTKGFKO-JTQLQIEISA-N 0 0 198.193 1.422 10 0 ADAERN CC/C(=C\c1cnn(C)c1C)[N+](=O)[O-] 86552817 572960237 /nfs/dbraw/zinc/96/02/37/572960237.db2.gz QKNQTBIOMWQWIR-WEVVVXLNSA-N 0 0 195.222 1.756 10 0 ADAERN CC(C)CCOCc1c[nH]cn1 238165916 572960250 /nfs/dbraw/zinc/96/02/50/572960250.db2.gz AGRMWWLGERLXDR-UHFFFAOYSA-N 0 0 168.240 1.972 10 0 ADAERN CC(C)C[C@@](C)(O)C[C@@H](C)CO 238167424 572960271 /nfs/dbraw/zinc/96/02/71/572960271.db2.gz VVJDTLJGGBMLSQ-NXEZZACHSA-N 0 0 174.284 1.802 10 0 ADAERN CCC(CC)(C[NH+](C)C)C(=O)[O-] 51287288 572960301 /nfs/dbraw/zinc/96/03/01/572960301.db2.gz NSLGNTCOZAVOMV-UHFFFAOYSA-N 0 0 173.256 1.439 10 0 ADAERN C[C@H]1C(=O)C(C)(C)CC[C@H]1O 208381625 572960390 /nfs/dbraw/zinc/96/03/90/572960390.db2.gz QNOADJDCUBPXDX-RNFRBKRXSA-N 0 0 156.225 1.373 10 0 ADAERN COC(=O)C(C)(C)CNn1cccc1 86594556 572960398 /nfs/dbraw/zinc/96/03/98/572960398.db2.gz CTPKCWCVLPXBHB-UHFFFAOYSA-N 0 0 196.250 1.231 10 0 ADAERN CCOC(=O)c1c(N)oc(CC)c1C 76194028 572960426 /nfs/dbraw/zinc/96/04/26/572960426.db2.gz WELGXBRVRRFFFE-UHFFFAOYSA-N 0 0 197.234 1.909 10 0 ADAERN C[C@H]1CCC[N@@H+]1CC(C)(C)C(=O)[O-] 51286360 572960447 /nfs/dbraw/zinc/96/04/47/572960447.db2.gz OMJGJVXBDAUVHU-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)Oc1ncn(C)c1OC(C)C 238167203 572960453 /nfs/dbraw/zinc/96/04/53/572960453.db2.gz ASHJLTMHNXGVRN-UHFFFAOYSA-N 0 0 198.266 1.995 10 0 ADAERN CC(=O)OC[C@H](O)c1ccccc1C 238164607 572960477 /nfs/dbraw/zinc/96/04/77/572960477.db2.gz NVBWFDNDCWZPTB-NSHDSACASA-N 0 0 194.230 1.592 10 0 ADAERN Nc1occc1C(=O)c1ccco1 76191432 572960522 /nfs/dbraw/zinc/96/05/22/572960522.db2.gz WPKJZXUWCWPXNS-UHFFFAOYSA-N 0 0 177.159 1.686 10 0 ADAERN C/C=C\C[C@@](C)(CO)C(C)=O 393486635 572960669 /nfs/dbraw/zinc/96/06/69/572960669.db2.gz FINKNFQPKDEGOK-WBSSQXGSSA-N 0 0 156.225 1.540 10 0 ADAERN CC(C)C[P@H](=O)OC[C@H](C)O 238167164 572960703 /nfs/dbraw/zinc/96/07/03/572960703.db2.gz LWWMPOIVSJIJAO-ZETCQYMHSA-N 0 0 180.184 1.515 10 0 ADAERN C=C/C=C\CCC(=O)[C@H]1COCCN1 713653587 572960718 /nfs/dbraw/zinc/96/07/18/572960718.db2.gz BSOJWRXQZSOSQE-UMBAGQNISA-N 0 0 195.262 1.066 10 0 ADAERN COc1[nH]c(=O)[nH]c2cc(=O)ccc1-2 250286130 572960725 /nfs/dbraw/zinc/96/07/25/572960725.db2.gz SXRRMJVETOJYTF-UHFFFAOYSA-N 0 0 192.174 1.050 10 0 ADAERN Cc1c([C@H](O)COC(C)C)cnn1C 86552686 572960737 /nfs/dbraw/zinc/96/07/37/572960737.db2.gz SEASPVCRSUWDGK-SNVBAGLBSA-N 0 0 198.266 1.187 10 0 ADAERN Cc1c(/C=C(/CO)C(C)C)cnn1C 86553486 572960745 /nfs/dbraw/zinc/96/07/45/572960745.db2.gz PHSXTVMSHYXZNA-WZUFQYTHSA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)(CO)COc1cccnc1 88100187 572963815 /nfs/dbraw/zinc/96/38/15/572963815.db2.gz HQVLYDQFBVLXCF-UHFFFAOYSA-N 0 0 181.235 1.479 10 0 ADAERN CC(C)C[C@@](C)(O)CCCO 238167317 572960779 /nfs/dbraw/zinc/96/07/79/572960779.db2.gz MIPYOHWHKXLNFS-VIFPVBQESA-N 0 0 160.257 1.556 10 0 ADAERN CCOC(=O)c1cc(C2CC2)oc1N 76192790 572960795 /nfs/dbraw/zinc/96/07/95/572960795.db2.gz YTWFGISLOKQCMU-UHFFFAOYSA-N 0 0 195.218 1.916 10 0 ADAERN CC(C)(Cn1cccc1C[NH3+])C(=O)[O-] 86595444 572960806 /nfs/dbraw/zinc/96/08/06/572960806.db2.gz NXWCCZUJTWSOHF-UHFFFAOYSA-N 0 0 196.250 1.058 10 0 ADAERN CO[C@@H](C)c1noc([C@H](C)C(C)=O)n1 86591506 572963817 /nfs/dbraw/zinc/96/38/17/572963817.db2.gz HJDHYHDSXRGRQL-VDTYLAMSSA-N 0 0 198.222 1.470 10 0 ADAERN Cn1cc2c(-c3ncc[nH]3)cccc2n1 76188877 572960952 /nfs/dbraw/zinc/96/09/52/572960952.db2.gz IFWTXFQHZWZFAP-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN Cn1ncc2ccc(-c3ncc[nH]3)cc21 76188866 572960913 /nfs/dbraw/zinc/96/09/13/572960913.db2.gz HCZILTJARZKVGV-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CC(C)Oc1nc[nH]c1OC(C)C 238165125 572960919 /nfs/dbraw/zinc/96/09/19/572960919.db2.gz JJYJHBRJTIEJCG-UHFFFAOYSA-N 0 0 184.239 1.984 10 0 ADAERN COC(=O)[C@@H]1CC(=O)[C@H]2CCC[C@H]21 250300056 572960950 /nfs/dbraw/zinc/96/09/50/572960950.db2.gz BIMULHWVHRVXBS-GJMOJQLCSA-N 0 0 182.219 1.165 10 0 ADAERN CC(C)CCOC(=O)c1[nH]cnc1N 238162968 572961076 /nfs/dbraw/zinc/96/10/76/572961076.db2.gz VGZAOVJIXXYIHT-UHFFFAOYSA-N 0 0 197.238 1.195 10 0 ADAERN CCC[N@H+](CCC(=O)[O-])[C@@H](C)CC 58845488 572961117 /nfs/dbraw/zinc/96/11/17/572961117.db2.gz HOZQJMAFWBCINJ-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN Cc1c([C@@H](O)COC(C)C)cnn1C 86552687 572961167 /nfs/dbraw/zinc/96/11/67/572961167.db2.gz SEASPVCRSUWDGK-JTQLQIEISA-N 0 0 198.266 1.187 10 0 ADAERN CC(C)C[C@H](C)[NH2+][C@H]1CC[C@H]1C(=O)[O-] 299999544 572961200 /nfs/dbraw/zinc/96/12/00/572961200.db2.gz WNVNUFJMNPFWPR-AEJSXWLSSA-N 0 0 199.294 1.874 10 0 ADAERN Cc1coc(N)c1C(=O)c1ccco1 76194336 572961345 /nfs/dbraw/zinc/96/13/45/572961345.db2.gz BKOSPAWWYPXPRO-UHFFFAOYSA-N 0 0 191.186 1.994 10 0 ADAERN CC/C(=C\c1cnn(C)c1C)CO 86553485 572961435 /nfs/dbraw/zinc/96/14/35/572961435.db2.gz MIUWIKBEEHUECC-WEVVVXLNSA-N 0 0 180.251 1.514 10 0 ADAERN C=C/C=C\CCC(=O)[C@@H]1COCCN1 713653589 572961461 /nfs/dbraw/zinc/96/14/61/572961461.db2.gz BSOJWRXQZSOSQE-XOULXFPDSA-N 0 0 195.262 1.066 10 0 ADAERN CC(C)(C[NH2+][C@H]1CC=CCC1)C(=O)[O-] 86594511 572961544 /nfs/dbraw/zinc/96/15/44/572961544.db2.gz ULOKGRDVCPNLMU-VIFPVBQESA-N 0 0 197.278 1.796 10 0 ADAERN CSCC[NH2+]CC(C)(C)C(=O)[O-] 86594351 572961547 /nfs/dbraw/zinc/96/15/47/572961547.db2.gz XXQOBBUHCVMJAY-UHFFFAOYSA-N 0 0 191.296 1.050 10 0 ADAERN Nc1cc(Cl)cc2c1COC[C@H]2[NH3+] 713798186 572961575 /nfs/dbraw/zinc/96/15/75/572961575.db2.gz CPOVVJAJVYKIAC-SECBINFHSA-N 0 0 198.653 1.452 10 0 ADAERN CCOC(=O)c1ccccc(=O)c1 196720738 572961585 /nfs/dbraw/zinc/96/15/85/572961585.db2.gz LYVZJCRRCKRYBM-UHFFFAOYSA-N 0 0 178.187 1.224 10 0 ADAERN C[C@@H]1CCC[N@@H+]1CC(C)(C)C(=O)[O-] 51286358 572961605 /nfs/dbraw/zinc/96/16/05/572961605.db2.gz OMJGJVXBDAUVHU-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)(Cn1ccc(C[NH3+])c1)C(=O)[O-] 86595448 572961616 /nfs/dbraw/zinc/96/16/16/572961616.db2.gz CYSICRLGVUCSJV-UHFFFAOYSA-N 0 0 196.250 1.058 10 0 ADAERN COCCCO[C@@H]1CCCC(=O)C1 86603694 572961939 /nfs/dbraw/zinc/96/19/39/572961939.db2.gz QEXYUDPQDZXMAE-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN CC(=O)OCc1cc(C=O)co1 238171000 572965138 /nfs/dbraw/zinc/96/51/38/572965138.db2.gz KATXWLCJUVEPPI-UHFFFAOYSA-N 0 0 168.148 1.155 10 0 ADAERN CCOC(=O)C/C=C/[C@H]1CCCOC1 200408220 572961763 /nfs/dbraw/zinc/96/17/63/572961763.db2.gz JLNNSOYACVKHCS-GFAPAMAISA-N 0 0 198.262 1.922 10 0 ADAERN COC[C@@H](C)O[C@@H]1CCCC(=O)C1 86603853 572961843 /nfs/dbraw/zinc/96/18/43/572961843.db2.gz ROQMPRHUHFNIBQ-PSASIEDQSA-N 0 0 186.251 1.550 10 0 ADAERN Cc1nc2ccc([C@H](C)O)cc2n1C 76210133 572961911 /nfs/dbraw/zinc/96/19/11/572961911.db2.gz GSUITPLKRNBDOW-ZETCQYMHSA-N 0 0 190.246 1.935 10 0 ADAERN C[NH2+]C[C@H](CC(C)(C)C)C(=O)[O-] 199739842 572962039 /nfs/dbraw/zinc/96/20/39/572962039.db2.gz GICPFPKMENIWEC-ZETCQYMHSA-N 0 0 173.256 1.343 10 0 ADAERN CC(=O)OC/C=C/CCCCCO 238169579 572962047 /nfs/dbraw/zinc/96/20/47/572962047.db2.gz IYLMBRLHFQACQD-FNORWQNLSA-N 0 0 186.251 1.658 10 0 ADAERN COCCO[C@@H]1CCCC(=O)C1 86603315 572962100 /nfs/dbraw/zinc/96/21/00/572962100.db2.gz HDYDNFKJQMLXFR-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN O[C@H]1CCCC2=CCC[C@H]21 196737787 572962190 /nfs/dbraw/zinc/96/21/90/572962190.db2.gz WHCLLFSOAVRLKH-BDAKNGLRSA-N 0 0 138.210 1.868 10 0 ADAERN COC[C@H](C)O[C@@H]1CCC[C@H](O)C1 86603708 572962198 /nfs/dbraw/zinc/96/21/98/572962198.db2.gz KWDHORZYPHQOHG-LPEHRKFASA-N 0 0 188.267 1.341 10 0 ADAERN Cc1c(O)cc2c(c1C)OCO2 196739505 572962202 /nfs/dbraw/zinc/96/22/02/572962202.db2.gz CZCZJAFKJNBNRZ-UHFFFAOYSA-N 0 0 166.176 1.738 10 0 ADAERN COC(=O)C(C)(C)Cn1cc(C)cn1 86593599 572964287 /nfs/dbraw/zinc/96/42/87/572964287.db2.gz CZVAEZKBLGWSAC-UHFFFAOYSA-N 0 0 196.250 1.391 10 0 ADAERN CC(C)OCOCC(C)(C)CO 88100288 572964289 /nfs/dbraw/zinc/96/42/89/572964289.db2.gz QXFVGEWLWHNXPS-UHFFFAOYSA-N 0 0 176.256 1.404 10 0 ADAERN CNc1ccc2nc(C)n(C)c2c1 76209900 572962212 /nfs/dbraw/zinc/96/22/12/572962212.db2.gz AAMQUUZYUVMXGL-UHFFFAOYSA-N 0 0 175.235 1.923 10 0 ADAERN F[C@H]1[C@@H](F)C1(Cl)Cl 196739475 572962269 /nfs/dbraw/zinc/96/22/69/572962269.db2.gz SSFWSEPXSCMGQL-XIXRPRMCSA-N 0 0 146.951 1.850 10 0 ADAERN COC[C@H](C)O[C@H]1CCCC(=O)C1 86603854 572962306 /nfs/dbraw/zinc/96/23/06/572962306.db2.gz ROQMPRHUHFNIBQ-WPRPVWTQSA-N 0 0 186.251 1.550 10 0 ADAERN Cc1cc([C@@H](C)O)cc(N)c1C 76214746 572962317 /nfs/dbraw/zinc/96/23/17/572962317.db2.gz ZSUCWLVFPYWRKH-MRVPVSSYSA-N 0 0 165.236 1.939 10 0 ADAERN Cc1nc2c(N(C)C)cccc2n1C 76209765 572962484 /nfs/dbraw/zinc/96/24/84/572962484.db2.gz YHNOAIBZDVMZBM-UHFFFAOYSA-N 0 0 189.262 1.948 10 0 ADAERN O[C@@H]1CCCC2=CCC[C@H]21 196737795 572962428 /nfs/dbraw/zinc/96/24/28/572962428.db2.gz WHCLLFSOAVRLKH-RKDXNWHRSA-N 0 0 138.210 1.868 10 0 ADAERN COC[C@@H](C)O[C@H]1CCCC(=O)C1 86603855 572962475 /nfs/dbraw/zinc/96/24/75/572962475.db2.gz ROQMPRHUHFNIBQ-SCZZXKLOSA-N 0 0 186.251 1.550 10 0 ADAERN CC(=O)[C@@H](C)Sc1nccc(C)n1 51331965 572962487 /nfs/dbraw/zinc/96/24/87/572962487.db2.gz VJBCWIIQFCSJQT-MRVPVSSYSA-N 0 0 196.275 1.855 10 0 ADAERN COCCCO[C@H]1CCC[C@H](O)C1 86603262 572962539 /nfs/dbraw/zinc/96/25/39/572962539.db2.gz FHCWZRFZCHGTSV-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN Cc1nc2cccc([C@@H](C)O)c2n1C 76210086 572962544 /nfs/dbraw/zinc/96/25/44/572962544.db2.gz AFDPROFXSWDKNI-SSDOTTSWSA-N 0 0 190.246 1.935 10 0 ADAERN Nc1ccc(/C=C\CO)cc1 199755243 572963786 /nfs/dbraw/zinc/96/37/86/572963786.db2.gz WQXGKIRAARPVJD-UPHRSURJSA-N 0 0 149.193 1.274 10 0 ADAERN Cc1nc2c([C@@H](C)O)cccc2[nH]1 76209676 572962597 /nfs/dbraw/zinc/96/25/97/572962597.db2.gz RYZXTOSGFOVXDO-ZCFIWIBFSA-N 0 0 176.219 1.925 10 0 ADAERN CC(C)C[C@@](C)(O)C[C@H](C)CO 238167462 572962645 /nfs/dbraw/zinc/96/26/45/572962645.db2.gz VVJDTLJGGBMLSQ-VHSXEESVSA-N 0 0 174.284 1.802 10 0 ADAERN Cc1cc([C@H](C)O)cc(N)c1C 76214748 572962653 /nfs/dbraw/zinc/96/26/53/572962653.db2.gz ZSUCWLVFPYWRKH-QMMMGPOBSA-N 0 0 165.236 1.939 10 0 ADAERN CCOCCO[C@@H]1CCCC(=O)C1 86603250 572962662 /nfs/dbraw/zinc/96/26/62/572962662.db2.gz RDNOWTMIHREPDP-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN C/C=C\C[C@@H]1CC(=O)CCO1 199734589 572962747 /nfs/dbraw/zinc/96/27/47/572962747.db2.gz BSYOWMGMRPEJSU-PKRMOACSSA-N 0 0 154.209 1.701 10 0 ADAERN CCOCCO[C@@H]1CCC[C@@H](O)C1 86603491 572962753 /nfs/dbraw/zinc/96/27/53/572962753.db2.gz XRIPNVZMTNPASB-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN Cc1nc2ccc(N(C)C)cc2n1C 76209762 572962762 /nfs/dbraw/zinc/96/27/62/572962762.db2.gz YFUUTSIGUHTFDU-UHFFFAOYSA-N 0 0 189.262 1.948 10 0 ADAERN C[C@@H](O)c1cccc2ncn(C)c12 76208512 572962787 /nfs/dbraw/zinc/96/27/87/572962787.db2.gz MZNFSDJXSHDRAR-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN COC[C@H](C)O[C@H]1CCC[C@H](O)C1 86603710 572962798 /nfs/dbraw/zinc/96/27/98/572962798.db2.gz KWDHORZYPHQOHG-GUBZILKMSA-N 0 0 188.267 1.341 10 0 ADAERN CC(=O)OCc1ccc(C=O)s1 238172105 572963798 /nfs/dbraw/zinc/96/37/98/572963798.db2.gz PQUOTOMWQPWGEV-UHFFFAOYSA-N 0 0 184.216 1.624 10 0 ADAERN CCOCCO[C@H]1CCC[C@@H](O)C1 86603492 572962856 /nfs/dbraw/zinc/96/28/56/572962856.db2.gz XRIPNVZMTNPASB-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN CC(=O)O[C@H]1CC(C)(C)CCC1=O 80301887 572962867 /nfs/dbraw/zinc/96/28/67/572962867.db2.gz OCQZFKXTCVZKAY-VIFPVBQESA-N 0 0 184.235 1.697 10 0 ADAERN Cc1nc2cccc([C@H](C)O)c2n1C 76210090 572962946 /nfs/dbraw/zinc/96/29/46/572962946.db2.gz AFDPROFXSWDKNI-ZETCQYMHSA-N 0 0 190.246 1.935 10 0 ADAERN Cc1nc2ccc([C@@H](C)O)cc2n1C 76210128 572962968 /nfs/dbraw/zinc/96/29/68/572962968.db2.gz GSUITPLKRNBDOW-SSDOTTSWSA-N 0 0 190.246 1.935 10 0 ADAERN CNc1cccc2c1nc(C)n2C 76209898 572962997 /nfs/dbraw/zinc/96/29/97/572962997.db2.gz PSTGGBZLGWHOKP-UHFFFAOYSA-N 0 0 175.235 1.923 10 0 ADAERN COC[C@H](C)O[C@@H]1CCCC(=O)C1 86603852 572963006 /nfs/dbraw/zinc/96/30/06/572963006.db2.gz ROQMPRHUHFNIBQ-WCBMZHEXSA-N 0 0 186.251 1.550 10 0 ADAERN CC(=O)[C@H](C)Sc1nccc(C)n1 51331964 572963031 /nfs/dbraw/zinc/96/30/31/572963031.db2.gz VJBCWIIQFCSJQT-QMMMGPOBSA-N 0 0 196.275 1.855 10 0 ADAERN CCOC(=O)C/C=C\[C@H]1CCCOC1 200408185 572963033 /nfs/dbraw/zinc/96/30/33/572963033.db2.gz JLNNSOYACVKHCS-ATPLWMGHSA-N 0 0 198.262 1.922 10 0 ADAERN CCCOc1cnccc1C(N)=S 88077701 572963044 /nfs/dbraw/zinc/96/30/44/572963044.db2.gz GAZIAZUKFDMKNY-UHFFFAOYSA-N 0 0 196.275 1.505 10 0 ADAERN COCCCO[C@@H]1CCC[C@H](O)C1 86603259 572963051 /nfs/dbraw/zinc/96/30/51/572963051.db2.gz FHCWZRFZCHGTSV-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN Cc1nc2c([C@H](C)O)cccc2[nH]1 76209681 572963080 /nfs/dbraw/zinc/96/30/80/572963080.db2.gz RYZXTOSGFOVXDO-LURJTMIESA-N 0 0 176.219 1.925 10 0 ADAERN CCOCCO[C@@H]1CCC[C@H](O)C1 86603489 572963093 /nfs/dbraw/zinc/96/30/93/572963093.db2.gz XRIPNVZMTNPASB-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CC(C)[NH2+]CCCNC(=S)[S-] 238170148 572963108 /nfs/dbraw/zinc/96/31/08/572963108.db2.gz ADVUNOOOGWRRRR-UHFFFAOYSA-N 0 0 192.353 1.179 10 0 ADAERN COCCCO[C@H]1CCC[C@@H](O)C1 86603266 572963121 /nfs/dbraw/zinc/96/31/21/572963121.db2.gz FHCWZRFZCHGTSV-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN C[NH2+]C[C@@H](CC(C)(C)C)C(=O)[O-] 199739856 572963174 /nfs/dbraw/zinc/96/31/74/572963174.db2.gz GICPFPKMENIWEC-SSDOTTSWSA-N 0 0 173.256 1.343 10 0 ADAERN C[C@H](O)c1cccc2ncn(C)c12 76208510 572963205 /nfs/dbraw/zinc/96/32/05/572963205.db2.gz MZNFSDJXSHDRAR-ZETCQYMHSA-N 0 0 176.219 1.627 10 0 ADAERN F[C@H]1[C@H](F)C1(Cl)Cl 196739484 572963208 /nfs/dbraw/zinc/96/32/08/572963208.db2.gz SSFWSEPXSCMGQL-LWMBPPNESA-N 0 0 146.951 1.850 10 0 ADAERN CCOCCO[C@H]1CCCC(=O)C1 86603252 572963210 /nfs/dbraw/zinc/96/32/10/572963210.db2.gz RDNOWTMIHREPDP-JTQLQIEISA-N 0 0 186.251 1.551 10 0 ADAERN COCCCO[C@H]1CCCC(=O)C1 86603695 572963245 /nfs/dbraw/zinc/96/32/45/572963245.db2.gz QEXYUDPQDZXMAE-JTQLQIEISA-N 0 0 186.251 1.551 10 0 ADAERN CC(C)[C@@H](O)C1=CCCC[C@@H]1O 196739999 572963272 /nfs/dbraw/zinc/96/32/72/572963272.db2.gz VZWDBIXRRDDJPM-VHSXEESVSA-N 0 0 170.252 1.475 10 0 ADAERN C=Cc1cc(C)c(C)[nH]c1=O 208401460 572963331 /nfs/dbraw/zinc/96/33/31/572963331.db2.gz LMNOXIQWLLZLFJ-UHFFFAOYSA-N 0 0 149.193 1.635 10 0 ADAERN CCn1nccc1OCC(C)(C)CO 88100215 572963840 /nfs/dbraw/zinc/96/38/40/572963840.db2.gz IVTHZNVUHUXMDJ-UHFFFAOYSA-N 0 0 198.266 1.300 10 0 ADAERN CC1(CCC(=O)C(C)(C)O)CC1 238169865 572963395 /nfs/dbraw/zinc/96/33/95/572963395.db2.gz BMVDWQRLZJPIBO-UHFFFAOYSA-N 0 0 170.252 1.907 10 0 ADAERN O[C@H]1CCCC2=CCC[C@@H]21 196737805 572963398 /nfs/dbraw/zinc/96/33/98/572963398.db2.gz WHCLLFSOAVRLKH-IUCAKERBSA-N 0 0 138.210 1.868 10 0 ADAERN C/C=C/COCC(C)(C)C(=O)OC 86593234 572963843 /nfs/dbraw/zinc/96/38/43/572963843.db2.gz MTKXURRYMIZUNR-AATRIKPKSA-N 0 0 186.251 1.778 10 0 ADAERN CC(C)[C@H](O)C1=CCCC[C@@H]1O 196739988 572963438 /nfs/dbraw/zinc/96/34/38/572963438.db2.gz VZWDBIXRRDDJPM-UWVGGRQHSA-N 0 0 170.252 1.475 10 0 ADAERN COCCO[C@H]1CCCC(=O)C1 86603318 572963493 /nfs/dbraw/zinc/96/34/93/572963493.db2.gz HDYDNFKJQMLXFR-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CCOC(=O)C/C=C/[C@@H]1CCCOC1 200408155 572963501 /nfs/dbraw/zinc/96/35/01/572963501.db2.gz JLNNSOYACVKHCS-RXNUUUNCSA-N 0 0 198.262 1.922 10 0 ADAERN CCOC(=O)C/C=C\[C@@H]1CCCOC1 200408123 572963517 /nfs/dbraw/zinc/96/35/17/572963517.db2.gz JLNNSOYACVKHCS-TZGMSPROSA-N 0 0 198.262 1.922 10 0 ADAERN CP(C)(=O)[C@H]1CCCC[C@H]1O 169406535 572963522 /nfs/dbraw/zinc/96/35/22/572963522.db2.gz ZYEBTUCQOSUTCR-SFYZADRCSA-N 0 0 176.196 1.913 10 0 ADAERN CCOCCO[C@H]1CCC[C@H](O)C1 86603490 572963575 /nfs/dbraw/zinc/96/35/75/572963575.db2.gz XRIPNVZMTNPASB-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CO[C@@H](C)c1noc([C@@H](C)C(C)=O)n1 86591503 572963852 /nfs/dbraw/zinc/96/38/52/572963852.db2.gz HJDHYHDSXRGRQL-FSPLSTOPSA-N 0 0 198.222 1.470 10 0 ADAERN CC[C@@H](CO)C1CCC1 79744892 572963705 /nfs/dbraw/zinc/96/37/05/572963705.db2.gz NOUWHCYDODSBRM-ZETCQYMHSA-N 0 0 128.215 1.805 10 0 ADAERN CCn1ccnc1OCC(C)(C)CO 88100263 572963713 /nfs/dbraw/zinc/96/37/13/572963713.db2.gz QGEXWURBDRYLKR-UHFFFAOYSA-N 0 0 198.266 1.300 10 0 ADAERN C[C@H](CC[NH3+])SC(F)(F)C(=O)[O-] 88099573 572963729 /nfs/dbraw/zinc/96/37/29/572963729.db2.gz KGEVUMQYCIPRNT-SCSAIBSYSA-N 0 0 199.222 1.134 10 0 ADAERN CCCc1cc(N)nc([C@@H](C)OC)n1 86590666 572963768 /nfs/dbraw/zinc/96/37/68/572963768.db2.gz PRYSENFTLZTUQF-SSDOTTSWSA-N 0 0 195.266 1.719 10 0 ADAERN CC1(C)OCO/C1=C/Cl 238172086 572963769 /nfs/dbraw/zinc/96/37/69/572963769.db2.gz PWSZFEVWEXSFBQ-HWKANZROSA-N 0 0 148.589 1.850 10 0 ADAERN CCN[C@@H](C)c1nc([C@H](C)OC)no1 86591833 572963776 /nfs/dbraw/zinc/96/37/76/572963776.db2.gz GTJRNCUOVCXKLD-BQBZGAKWSA-N 0 0 199.254 1.448 10 0 ADAERN COC(=O)C(C)(C)COCC(C)C 86593147 572963887 /nfs/dbraw/zinc/96/38/87/572963887.db2.gz FEOWDKRGZFFVCK-UHFFFAOYSA-N 0 0 188.267 1.858 10 0 ADAERN COC(=O)C(C)(C)COCC1CC1 86593165 572963889 /nfs/dbraw/zinc/96/38/89/572963889.db2.gz VYDJJNYAOUSFMY-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN CC(C)CC1=NO[C@H](CO)C1 59099569 572963919 /nfs/dbraw/zinc/96/39/19/572963919.db2.gz HLKUMJVRFJTVSO-QMMMGPOBSA-N 0 0 157.213 1.170 10 0 ADAERN CC(C)(CO)COc1cncc(F)c1 88099939 572963923 /nfs/dbraw/zinc/96/39/23/572963923.db2.gz DHUCSGNDUYFXOY-UHFFFAOYSA-N 0 0 199.225 1.618 10 0 ADAERN CCCNc1nc([C@H](C)OC)no1 86591086 572963932 /nfs/dbraw/zinc/96/39/32/572963932.db2.gz YUBNWODDTNOWOK-LURJTMIESA-N 0 0 185.227 1.599 10 0 ADAERN CC(C)(CO)COc1cccnc1N 88100119 572963945 /nfs/dbraw/zinc/96/39/45/572963945.db2.gz VPSWBVLYSDWDJH-UHFFFAOYSA-N 0 0 196.250 1.061 10 0 ADAERN CCN[C@H](C)c1nc([C@H](C)OC)no1 86591834 572963947 /nfs/dbraw/zinc/96/39/47/572963947.db2.gz GTJRNCUOVCXKLD-RQJHMYQMSA-N 0 0 199.254 1.448 10 0 ADAERN C[C@@H](CC[NH3+])SC(F)(F)C(=O)[O-] 88099571 572963957 /nfs/dbraw/zinc/96/39/57/572963957.db2.gz KGEVUMQYCIPRNT-BYPYZUCNSA-N 0 0 199.222 1.134 10 0 ADAERN CC1(CCCCO)C(=O)CCC1=O 238171445 572964029 /nfs/dbraw/zinc/96/40/29/572964029.db2.gz NQJSBGXMWMMUQR-UHFFFAOYSA-N 0 0 184.235 1.087 10 0 ADAERN CCCOCCO[C@H]1CCC(=O)C1 86619921 572965661 /nfs/dbraw/zinc/96/56/61/572965661.db2.gz WWGHHVSPHCAEGM-JTQLQIEISA-N 0 0 186.251 1.551 10 0 ADAERN CC(C)(CSCCC[NH3+])C(=O)[O-] 86593479 572964078 /nfs/dbraw/zinc/96/40/78/572964078.db2.gz MXDCGCXDQZNTPR-UHFFFAOYSA-N 0 0 191.296 1.179 10 0 ADAERN Oc1cccc(C2(O)CCOCC2)c1 59027171 572964080 /nfs/dbraw/zinc/96/40/80/572964080.db2.gz MOGYWOZNXIJWAJ-UHFFFAOYSA-N 0 0 194.230 1.390 10 0 ADAERN CO[C@@H](C)c1noc(NCC(C)C)n1 86591100 572964082 /nfs/dbraw/zinc/96/40/82/572964082.db2.gz FTOMADVMUNRDJT-ZETCQYMHSA-N 0 0 199.254 1.845 10 0 ADAERN COC(=O)C(C)(C)Cn1cccn1 86593548 572964049 /nfs/dbraw/zinc/96/40/49/572964049.db2.gz DJFRGMNEVZUFGW-UHFFFAOYSA-N 0 0 182.223 1.082 10 0 ADAERN Cc1ccncc1OCC(C)(C)CO 88099935 572964125 /nfs/dbraw/zinc/96/41/25/572964125.db2.gz PAXLXFIVGVXWLE-UHFFFAOYSA-N 0 0 195.262 1.787 10 0 ADAERN COC(=O)C(C)(C)Cn1ccnc1 86593552 572964127 /nfs/dbraw/zinc/96/41/27/572964127.db2.gz QRXJVRNDWNOFJE-UHFFFAOYSA-N 0 0 182.223 1.082 10 0 ADAERN C[C@@H]1Cc2cc(F)c(O)cc2N1 713799730 572964142 /nfs/dbraw/zinc/96/41/42/572964142.db2.gz LMHVTMYBBYEMKG-RXMQYKEDSA-N 0 0 167.183 1.888 10 0 ADAERN CO[C@H](C)c1noc([C@H](C)C(C)=O)n1 86591508 572964153 /nfs/dbraw/zinc/96/41/53/572964153.db2.gz HJDHYHDSXRGRQL-IYSWYEEDSA-N 0 0 198.222 1.470 10 0 ADAERN C[C@@H]1Cc2c(O)cc(N)cc2N1 713801195 572965667 /nfs/dbraw/zinc/96/56/67/572965667.db2.gz SYMXYLDNPKOLEX-RXMQYKEDSA-N 0 0 164.208 1.331 10 0 ADAERN CCCc1cc(N)nc([C@H](C)OC)n1 86590667 572964194 /nfs/dbraw/zinc/96/41/94/572964194.db2.gz PRYSENFTLZTUQF-ZETCQYMHSA-N 0 0 195.266 1.719 10 0 ADAERN CC[C@@H]([NH3+])CSC(F)(F)C(=O)[O-] 88099576 572964201 /nfs/dbraw/zinc/96/42/01/572964201.db2.gz SPBRUYDTIINFLC-SCSAIBSYSA-N 0 0 199.222 1.134 10 0 ADAERN C[C@H]1Cc2cc(F)c(O)cc2N1 713799731 572964221 /nfs/dbraw/zinc/96/42/21/572964221.db2.gz LMHVTMYBBYEMKG-YFKPBYRVSA-N 0 0 167.183 1.888 10 0 ADAERN CCN[C@@H](C)c1nc([C@@H](C)OC)no1 86591830 572964248 /nfs/dbraw/zinc/96/42/48/572964248.db2.gz GTJRNCUOVCXKLD-NKWVEPMBSA-N 0 0 199.254 1.448 10 0 ADAERN CC[C@@H](C)OCC(C)(C)CO 88100200 572964251 /nfs/dbraw/zinc/96/42/51/572964251.db2.gz XJSHPBPVVVTJSB-MRVPVSSYSA-N 0 0 160.257 1.820 10 0 ADAERN CCN[C@H](C)c1nc([C@@H](C)OC)no1 86591831 572964304 /nfs/dbraw/zinc/96/43/04/572964304.db2.gz GTJRNCUOVCXKLD-RNFRBKRXSA-N 0 0 199.254 1.448 10 0 ADAERN CO[C@H](C)c1noc(CCC(C)=O)n1 86591547 572964320 /nfs/dbraw/zinc/96/43/20/572964320.db2.gz XANXPRVKNCFOAS-SSDOTTSWSA-N 0 0 198.222 1.299 10 0 ADAERN CCCCC1=NO[C@H](CO)C1 59100062 572964333 /nfs/dbraw/zinc/96/43/33/572964333.db2.gz DMESTJMDTFXWMW-QMMMGPOBSA-N 0 0 157.213 1.314 10 0 ADAERN CCOc1ccc(OCCO)c(N)c1 199770257 572964356 /nfs/dbraw/zinc/96/43/56/572964356.db2.gz WRHGKOAYNAMJJE-UHFFFAOYSA-N 0 0 197.234 1.039 10 0 ADAERN CCC(=O)Cc1nc([C@@H](C)OC)no1 86591485 572964357 /nfs/dbraw/zinc/96/43/57/572964357.db2.gz OZDJKGBXYFUXPA-ZCFIWIBFSA-N 0 0 198.222 1.299 10 0 ADAERN CO[C@H](C)c1noc([C@@H](C)C(C)=O)n1 86591505 572964369 /nfs/dbraw/zinc/96/43/69/572964369.db2.gz HJDHYHDSXRGRQL-CAHLUQPWSA-N 0 0 198.222 1.470 10 0 ADAERN CCCc1nc(N)nc([C@@H](C)OC)n1 86591904 572964371 /nfs/dbraw/zinc/96/43/71/572964371.db2.gz YBZTXGSRILDSSJ-ZCFIWIBFSA-N 0 0 196.254 1.114 10 0 ADAERN CC(C)(CO)COCc1ccccn1 88099894 572964372 /nfs/dbraw/zinc/96/43/72/572964372.db2.gz LMEWDLNBLPGBNE-UHFFFAOYSA-N 0 0 195.262 1.617 10 0 ADAERN CCn1cc(OCC(C)(C)CO)cn1 88099943 572964384 /nfs/dbraw/zinc/96/43/84/572964384.db2.gz HDVVXTXEYBDBPD-UHFFFAOYSA-N 0 0 198.266 1.300 10 0 ADAERN COCC(=O)c1cccnc1F 59043877 572964398 /nfs/dbraw/zinc/96/43/98/572964398.db2.gz MZHMIUYABUFEDM-UHFFFAOYSA-N 0 0 169.155 1.050 10 0 ADAERN C[C@@H]([NH3+])CSCC(C)(C)C(=O)[O-] 86593476 572964441 /nfs/dbraw/zinc/96/44/41/572964441.db2.gz BNUALZXSDAYCON-ZCFIWIBFSA-N 0 0 191.296 1.178 10 0 ADAERN CC[C@H](C)OCC(C)(C)CO 88100202 572964445 /nfs/dbraw/zinc/96/44/45/572964445.db2.gz XJSHPBPVVVTJSB-QMMMGPOBSA-N 0 0 160.257 1.820 10 0 ADAERN CC(=O)OCc1cccc(F)c1C=O 238173334 572964452 /nfs/dbraw/zinc/96/44/52/572964452.db2.gz QZYBYTYSAVDFPL-UHFFFAOYSA-N 0 0 196.177 1.701 10 0 ADAERN CC(C)(CO)COC1CCCC1 88100014 572964456 /nfs/dbraw/zinc/96/44/56/572964456.db2.gz SGDYLWJGSGIXAE-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN CCCc1nc(N)nc([C@H](C)OC)n1 86591907 572964466 /nfs/dbraw/zinc/96/44/66/572964466.db2.gz YBZTXGSRILDSSJ-LURJTMIESA-N 0 0 196.254 1.114 10 0 ADAERN CC[C@H]([NH3+])CSC(F)(F)C(=O)[O-] 88099574 572964491 /nfs/dbraw/zinc/96/44/91/572964491.db2.gz SPBRUYDTIINFLC-BYPYZUCNSA-N 0 0 199.222 1.134 10 0 ADAERN CC(C)CC1=NO[C@H](CO)[C@H]1C 59099572 572964493 /nfs/dbraw/zinc/96/44/93/572964493.db2.gz KVGWACBPTDBMOO-IONNQARKSA-N 0 0 171.240 1.416 10 0 ADAERN Oc1ccccc1CCF 59022950 572964504 /nfs/dbraw/zinc/96/45/04/572964504.db2.gz HAYKRGFBPXTQOT-UHFFFAOYSA-N 0 0 140.157 1.904 10 0 ADAERN COC[C@@H](C)O[C@H]1CCC(=O)C1 86619945 572965685 /nfs/dbraw/zinc/96/56/85/572965685.db2.gz FYKSLFUGGDKOCA-APPZFPTMSA-N 0 0 172.224 1.160 10 0 ADAERN CC(C)OC(=O)CNc1ccccn1 238172777 572964528 /nfs/dbraw/zinc/96/45/28/572964528.db2.gz JNTKECUQMVNQBK-UHFFFAOYSA-N 0 0 194.234 1.445 10 0 ADAERN CCC(C)(C)[NH2+]CC(C)(C)C(=O)[O-] 86593764 572964536 /nfs/dbraw/zinc/96/45/36/572964536.db2.gz QMEFSJRWCSWIOR-UHFFFAOYSA-N 0 0 187.283 1.875 10 0 ADAERN C[C@H]1Cc2c(ccc(F)c2O)N1 713798752 572964537 /nfs/dbraw/zinc/96/45/37/572964537.db2.gz GYWVSCNQZHMVAR-YFKPBYRVSA-N 0 0 167.183 1.888 10 0 ADAERN C[C@@H]1Cc2c(ccc(F)c2O)N1 713798750 572964553 /nfs/dbraw/zinc/96/45/53/572964553.db2.gz GYWVSCNQZHMVAR-RXMQYKEDSA-N 0 0 167.183 1.888 10 0 ADAERN CC(C)OC(=O)C/C=C/[C@H](C)O 238170934 572964570 /nfs/dbraw/zinc/96/45/70/572964570.db2.gz JHAHGPKDGPMDBB-ZJELKQJVSA-N 0 0 172.224 1.265 10 0 ADAERN CCC(=O)Cc1nc([C@H](C)OC)no1 86591486 572964609 /nfs/dbraw/zinc/96/46/09/572964609.db2.gz OZDJKGBXYFUXPA-LURJTMIESA-N 0 0 198.222 1.299 10 0 ADAERN CO[C@@H](C)c1noc(CCC(C)=O)n1 86591545 572964650 /nfs/dbraw/zinc/96/46/50/572964650.db2.gz XANXPRVKNCFOAS-ZETCQYMHSA-N 0 0 198.222 1.299 10 0 ADAERN CC1(CCCCCCCO)NN1 238171313 572964979 /nfs/dbraw/zinc/96/49/79/572964979.db2.gz HNGGZXWOVUHDND-UHFFFAOYSA-N 0 0 172.272 1.143 10 0 ADAERN CC[C@H](CO)C1CCC1 79744894 572964710 /nfs/dbraw/zinc/96/47/10/572964710.db2.gz NOUWHCYDODSBRM-SSDOTTSWSA-N 0 0 128.215 1.805 10 0 ADAERN COC(=O)C(C)(C)COC1CCC1 86593232 572964748 /nfs/dbraw/zinc/96/47/48/572964748.db2.gz CGKDXMVINDFDKP-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)([NH3+])CSC(F)(F)C(=O)[O-] 88099579 572964751 /nfs/dbraw/zinc/96/47/51/572964751.db2.gz IFGWLZKIZRAXIL-UHFFFAOYSA-N 0 0 199.222 1.134 10 0 ADAERN CCC[C@@H](C)[NH2+]CC(C)(C)C(=O)[O-] 86593784 572964771 /nfs/dbraw/zinc/96/47/71/572964771.db2.gz IFRALPOCMXWZBC-MRVPVSSYSA-N 0 0 187.283 1.875 10 0 ADAERN C[C@H]([NH3+])CSCC(C)(C)C(=O)[O-] 86593475 572964792 /nfs/dbraw/zinc/96/47/92/572964792.db2.gz BNUALZXSDAYCON-LURJTMIESA-N 0 0 191.296 1.178 10 0 ADAERN Cc1cc(C)c(O)c(CO)c1C 59063486 572964800 /nfs/dbraw/zinc/96/48/00/572964800.db2.gz QCYTXLBHVJLPRR-UHFFFAOYSA-N 0 0 166.220 1.810 10 0 ADAERN COC(=O)C(C)(C)COC(C)C 86593150 572964815 /nfs/dbraw/zinc/96/48/15/572964815.db2.gz RHYQLVIIRXQWCO-UHFFFAOYSA-N 0 0 174.240 1.611 10 0 ADAERN CC(C)(CO)COCc1ccncc1 88100121 572964852 /nfs/dbraw/zinc/96/48/52/572964852.db2.gz GOIIWQONFDCKGJ-UHFFFAOYSA-N 0 0 195.262 1.617 10 0 ADAERN CC(C)OC(=O)CC1=C(CO)CCC1 238171615 572964870 /nfs/dbraw/zinc/96/48/70/572964870.db2.gz PSMBYDHLIVWOEN-UHFFFAOYSA-N 0 0 198.262 1.801 10 0 ADAERN CC(C)(CO)COC1CCOCC1 88100193 572964877 /nfs/dbraw/zinc/96/48/77/572964877.db2.gz FQBPQOCKLKYKEJ-UHFFFAOYSA-N 0 0 188.267 1.201 10 0 ADAERN C[C@@H](C[NH3+])SCC(C)(C)C(=O)[O-] 86593471 572964927 /nfs/dbraw/zinc/96/49/27/572964927.db2.gz LAHJKVGRDKDGTR-LURJTMIESA-N 0 0 191.296 1.178 10 0 ADAERN Nc1cccc(/C=C/CO)c1 59078890 572964929 /nfs/dbraw/zinc/96/49/29/572964929.db2.gz KTOFRKVNCQRCIJ-DUXPYHPUSA-N 0 0 149.193 1.274 10 0 ADAERN CC(C)(CO)COc1ccoc1 88100086 572964999 /nfs/dbraw/zinc/96/49/99/572964999.db2.gz KJRVMXXVEKIYBR-UHFFFAOYSA-N 0 0 170.208 1.677 10 0 ADAERN COC(=O)C(C)(C)Cn1ccc(C)n1 86593670 572965012 /nfs/dbraw/zinc/96/50/12/572965012.db2.gz MVNFWWXJGWGWQF-UHFFFAOYSA-N 0 0 196.250 1.391 10 0 ADAERN CCCOCOCC(C)(C)CO 88100179 572965107 /nfs/dbraw/zinc/96/51/07/572965107.db2.gz USRQPYBZICHRLL-UHFFFAOYSA-N 0 0 176.256 1.406 10 0 ADAERN CCCCC[NH2+]CC(C)(C)C(=O)[O-] 86593781 572965127 /nfs/dbraw/zinc/96/51/27/572965127.db2.gz VAZQAOMMUWCKRM-UHFFFAOYSA-N 0 0 187.283 1.877 10 0 ADAERN C[C@H]([NH3+])CCSC(F)(F)C(=O)[O-] 88099562 572965077 /nfs/dbraw/zinc/96/50/77/572965077.db2.gz VSFJYETXHPLRGD-BYPYZUCNSA-N 0 0 199.222 1.134 10 0 ADAERN COC(=O)C(C)(C)Cn1nccc1C 86593672 572965079 /nfs/dbraw/zinc/96/50/79/572965079.db2.gz QIUADUPGRIUQLQ-UHFFFAOYSA-N 0 0 196.250 1.391 10 0 ADAERN C[C@@H]([NH3+])CCSC(F)(F)C(=O)[O-] 88099564 572965149 /nfs/dbraw/zinc/96/51/49/572965149.db2.gz VSFJYETXHPLRGD-SCSAIBSYSA-N 0 0 199.222 1.134 10 0 ADAERN CC(=O)OCc1cccc(F)c1CO 238173402 572965179 /nfs/dbraw/zinc/96/51/79/572965179.db2.gz UNAKQHNZDIJZBW-UHFFFAOYSA-N 0 0 198.193 1.381 10 0 ADAERN CCOCOCC(C)(C)CO 88100178 572965215 /nfs/dbraw/zinc/96/52/15/572965215.db2.gz MJJILJOAASOCJA-UHFFFAOYSA-N 0 0 162.229 1.016 10 0 ADAERN COC(=O)C(C)(C)Cn1ccnc1C 86593543 572965290 /nfs/dbraw/zinc/96/52/90/572965290.db2.gz SYXPCQGPKDLLLD-UHFFFAOYSA-N 0 0 196.250 1.391 10 0 ADAERN C[C@H](C[NH3+])SCC(C)(C)C(=O)[O-] 86593472 572965311 /nfs/dbraw/zinc/96/53/11/572965311.db2.gz LAHJKVGRDKDGTR-ZCFIWIBFSA-N 0 0 191.296 1.178 10 0 ADAERN CO[C@H](C)c1noc(NCC(C)C)n1 86591098 572965330 /nfs/dbraw/zinc/96/53/30/572965330.db2.gz FTOMADVMUNRDJT-SSDOTTSWSA-N 0 0 199.254 1.845 10 0 ADAERN C[C@H]1C[C@H]1[NH2+]CC(C)(C)C(=O)[O-] 86594264 572965417 /nfs/dbraw/zinc/96/54/17/572965417.db2.gz OVIGCSIGJCYRJP-NKWVEPMBSA-N 0 0 171.240 1.095 10 0 ADAERN C=C/C=C/CC[C@@H](O)CC1OCCO1 713654580 572965443 /nfs/dbraw/zinc/96/54/43/572965443.db2.gz SWZQEWFQVXHTBD-HMDXOVGESA-N 0 0 198.262 1.633 10 0 ADAERN C[C@@H]1Cc2c(N)cc(F)c(F)c2N1 713802002 572965477 /nfs/dbraw/zinc/96/54/77/572965477.db2.gz XLUGZHDASRCCFK-SCSAIBSYSA-N 0 0 184.189 1.904 10 0 ADAERN CCOCCO[C@H]1CCC(=O)C1 86619310 572965552 /nfs/dbraw/zinc/96/55/52/572965552.db2.gz CNTYQRPTKQIEFY-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CC[C@@H]([NH3+])C1(CC(=O)[O-])CCC1 88117634 572965849 /nfs/dbraw/zinc/96/58/49/572965849.db2.gz MBMAHFNPDXOGJA-SSDOTTSWSA-N 0 0 171.240 1.369 10 0 ADAERN CC(C)(O)CC(C)(C)CC(N)=O 238175908 572965871 /nfs/dbraw/zinc/96/58/71/572965871.db2.gz PEZBOXTUQOJHPY-UHFFFAOYSA-N 0 0 173.256 1.049 10 0 ADAERN CC(C)(C[NH2+]C1CCC1)C(=O)[O-] 86594256 572965955 /nfs/dbraw/zinc/96/59/55/572965955.db2.gz NEBJCNBZQJXQMZ-UHFFFAOYSA-N 0 0 171.240 1.239 10 0 ADAERN CCN(CC)c1cc[nH+]cc1C(=O)[O-] 88109614 572966015 /nfs/dbraw/zinc/96/60/15/572966015.db2.gz WHUZEIJXIMFPGJ-UHFFFAOYSA-N 0 0 194.234 1.626 10 0 ADAERN C[C@@H]1C[C@@H]1[NH2+]CC(C)(C)C(=O)[O-] 86594261 572966038 /nfs/dbraw/zinc/96/60/38/572966038.db2.gz OVIGCSIGJCYRJP-RQJHMYQMSA-N 0 0 171.240 1.095 10 0 ADAERN CC(C)(C[NH2+]CC1CCCC1)C(=O)[O-] 86593908 572966051 /nfs/dbraw/zinc/96/60/51/572966051.db2.gz FWGZXOHVHXCCAL-UHFFFAOYSA-N 0 0 199.294 1.877 10 0 ADAERN CC(C)(C[NH2+][C@@H]1CC1(C)C)C(=O)[O-] 86594199 572966093 /nfs/dbraw/zinc/96/60/93/572966093.db2.gz GXMCCJSXXZXVNM-SSDOTTSWSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1Cc2c(N)cc(F)c(F)c2N1 713802000 572966137 /nfs/dbraw/zinc/96/61/37/572966137.db2.gz XLUGZHDASRCCFK-BYPYZUCNSA-N 0 0 184.189 1.904 10 0 ADAERN C[C@H]1C[C@@H]1[NH2+]CC(C)(C)C(=O)[O-] 86594262 572966194 /nfs/dbraw/zinc/96/61/94/572966194.db2.gz OVIGCSIGJCYRJP-BQBZGAKWSA-N 0 0 171.240 1.095 10 0 ADAERN CC[C@@H](C)Oc1ccncc1CO 88110480 572966217 /nfs/dbraw/zinc/96/62/17/572966217.db2.gz FDDSYHJGSOYHNS-MRVPVSSYSA-N 0 0 181.235 1.751 10 0 ADAERN CC[C@H](O)[C@@H](O)Cc1ccc(C)cc1 116844208 572966262 /nfs/dbraw/zinc/96/62/62/572966262.db2.gz TXOMYANVHOBQBY-RYUDHWBXSA-N 0 0 194.274 1.669 10 0 ADAERN COCCCO[C@H]1CCC(=O)C1 86619544 572966273 /nfs/dbraw/zinc/96/62/73/572966273.db2.gz QKAIGEWMUOKRKG-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CC(C)c1nnc([C@@H](N)CC2CC2)o1 238173807 572966315 /nfs/dbraw/zinc/96/63/15/572966315.db2.gz HIBXUCYHBSXUNW-QMMMGPOBSA-N 0 0 195.266 1.993 10 0 ADAERN CCCOCCO[C@@H]1CCC(=O)C1 86619920 572966386 /nfs/dbraw/zinc/96/63/86/572966386.db2.gz WWGHHVSPHCAEGM-SNVBAGLBSA-N 0 0 186.251 1.551 10 0 ADAERN CC(C)COc1ccncc1CO 88110440 572966391 /nfs/dbraw/zinc/96/63/91/572966391.db2.gz RAZQOYUGHXBMGC-UHFFFAOYSA-N 0 0 181.235 1.609 10 0 ADAERN C[NH+](C)CCSC(C)(C)C(=O)[O-] 88108106 572966535 /nfs/dbraw/zinc/96/65/35/572966535.db2.gz 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572967131 /nfs/dbraw/zinc/96/71/31/572967131.db2.gz BNRFSHHMNGZWPI-UHFFFAOYSA-N 0 0 185.267 1.487 10 0 ADAERN CCCCOc1ccncc1CO 88110476 572967132 /nfs/dbraw/zinc/96/71/32/572967132.db2.gz AZHJKLJEEDYPDM-UHFFFAOYSA-N 0 0 181.235 1.753 10 0 ADAERN COc1c(O)ccc2c1N[C@H](C)C2 713801967 572967163 /nfs/dbraw/zinc/96/71/63/572967163.db2.gz WYCKKAHEGAHPDU-ZCFIWIBFSA-N 0 0 179.219 1.757 10 0 ADAERN CCC[C@H](C)[NH2+]CC(C)(C)C(=O)[O-] 86593785 572967164 /nfs/dbraw/zinc/96/71/64/572967164.db2.gz IFRALPOCMXWZBC-QMMMGPOBSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)OCCO[C@@H]1CCC(=O)C1 86619341 572967188 /nfs/dbraw/zinc/96/71/88/572967188.db2.gz VORSKCAMCNVTOQ-SNVBAGLBSA-N 0 0 186.251 1.550 10 0 ADAERN Cc1cc(OCC2CC2)c(CO)cn1 88110471 572967220 /nfs/dbraw/zinc/96/72/20/572967220.db2.gz HCHLCLAYJHPEAO-UHFFFAOYSA-N 0 0 193.246 1.671 10 0 ADAERN CC(C)C[C@@H](C)n1cc(CO)cn1 238173871 572967277 /nfs/dbraw/zinc/96/72/77/572967277.db2.gz BYYGHMGQOJZMNL-SECBINFHSA-N 0 0 182.267 1.983 10 0 ADAERN 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CC(C)OCCO[C@H]1CCC(=O)C1 86619342 572967676 /nfs/dbraw/zinc/96/76/76/572967676.db2.gz VORSKCAMCNVTOQ-JTQLQIEISA-N 0 0 186.251 1.550 10 0 ADAERN CC(C)[C@H](C)N(C)C(=O)n1ccnc1 88121055 572967685 /nfs/dbraw/zinc/96/76/85/572967685.db2.gz ZATKFWIDHKUWFQ-VIFPVBQESA-N 0 0 195.266 1.828 10 0 ADAERN CC(C)[C@H](C)Oc1ccncc1CO 88110553 572967686 /nfs/dbraw/zinc/96/76/86/572967686.db2.gz NSFFUATWKOXPDD-VIFPVBQESA-N 0 0 195.262 1.997 10 0 ADAERN CCN(CC1CC1)C(=O)n1ccnc1 88121148 572967693 /nfs/dbraw/zinc/96/76/93/572967693.db2.gz CORBHDQKFGOOPV-UHFFFAOYSA-N 0 0 193.250 1.583 10 0 ADAERN CCC(CC)N(C)C(=O)n1ccnc1 88121049 572967725 /nfs/dbraw/zinc/96/77/25/572967725.db2.gz ZBYHWDSJMBDDBJ-UHFFFAOYSA-N 0 0 195.266 1.972 10 0 ADAERN Cc1cc(C=O)[nH]c1Br 59268545 572967728 /nfs/dbraw/zinc/96/77/28/572967728.db2.gz YZWFTBKFIGLYFS-UHFFFAOYSA-N 0 0 188.024 1.898 10 0 ADAERN CCCOC[C@H](O)c1ccc(C)cn1 88136139 572967775 /nfs/dbraw/zinc/96/77/75/572967775.db2.gz MUKZIYGFTIWZID-NSHDSACASA-N 0 0 195.262 1.850 10 0 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0 0 197.200 1.706 10 0 ADAERN CC(C)(O)CCc1cccn1CCO 238178633 572970142 /nfs/dbraw/zinc/97/01/42/572970142.db2.gz UINGJLYSBWRBTH-UHFFFAOYSA-N 0 0 197.278 1.184 10 0 ADAERN CC(=O)O[C@@H](CO)c1ccc(C)cc1 238180565 572970147 /nfs/dbraw/zinc/97/01/47/572970147.db2.gz IHCMQKKDAVRBJG-NSHDSACASA-N 0 0 194.230 1.592 10 0 ADAERN CSCCC(=O)[C@H]1CC[C@@H](C)O1 88141562 572970149 /nfs/dbraw/zinc/97/01/49/572970149.db2.gz BLJZOVHSIBNZNE-VXNVDRBHSA-N 0 0 188.292 1.876 10 0 ADAERN C/C=C(\C(=O)NC(N)=O)C(C)(C)C 195781715 572970150 /nfs/dbraw/zinc/97/01/50/572970150.db2.gz PINGGAYTIFWXIY-AATRIKPKSA-N 0 0 184.239 1.174 10 0 ADAERN CCOC(=O)[C@@H](F)n1ccc(C)n1 88127672 572970154 /nfs/dbraw/zinc/97/01/54/572970154.db2.gz LCMVHKRRISAZKP-ZETCQYMHSA-N 0 0 186.186 1.223 10 0 ADAERN Nc1cccc(CC2CC2)c1N 116890351 572971459 /nfs/dbraw/zinc/97/14/59/572971459.db2.gz RKCRVHSHQFIAGE-UHFFFAOYSA-N 0 0 162.236 1.804 10 0 ADAERN CCCC(CCC)[C@H]([NH2+]C)C(=O)[O-] 238183196 572970294 /nfs/dbraw/zinc/97/02/94/572970294.db2.gz 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/nfs/dbraw/zinc/97/04/85/572970485.db2.gz COSOSJLZHGUGBK-JTQLQIEISA-N 0 0 198.266 1.349 10 0 ADAERN C[C@H](CCC(=O)[O-])CC[NH+](C)C 86685342 572970519 /nfs/dbraw/zinc/97/05/19/572970519.db2.gz OWZXZNNHEIFAHM-MRVPVSSYSA-N 0 0 173.256 1.439 10 0 ADAERN C[C@@H](CCC[C@@H](C)C(=O)[O-])[NH+](C)C 86686159 572970526 /nfs/dbraw/zinc/97/05/26/572970526.db2.gz RKYUEVDOPBZISB-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@@H]1CC[C@H](CNCC(F)(F)F)O1 88141282 572970527 /nfs/dbraw/zinc/97/05/27/572970527.db2.gz WTZDQZOVWPSPQF-RNFRBKRXSA-N 0 0 197.200 1.706 10 0 ADAERN CC(C)(O)C[C@@H]1[C@H](CC(N)=O)C1(C)C 238180989 572971912 /nfs/dbraw/zinc/97/19/12/572971912.db2.gz YBHBWEHMNLPMQL-JGVFFNPUSA-N 0 0 199.294 1.295 10 0 ADAERN C[C@@H](CCC[C@@H](C)[NH+](C)C)C(=O)[O-] 86686153 572970541 /nfs/dbraw/zinc/97/05/41/572970541.db2.gz RKYUEVDOPBZISB-DTWKUNHWSA-N 0 0 187.283 1.828 10 0 ADAERN CC(C)(O)Cc1ccccc1CCO 238182299 572970571 /nfs/dbraw/zinc/97/05/71/572970571.db2.gz JOUGUTPIUAWQIP-UHFFFAOYSA-N 0 0 194.274 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/nfs/dbraw/zinc/97/06/26/572970626.db2.gz OGZHDGUDYZZRIR-IUCAKERBSA-N 0 0 183.251 1.358 10 0 ADAERN CCC1C[NH+]([C@](C)(C(=O)[O-])C2CC2)C1 86685520 572970628 /nfs/dbraw/zinc/97/06/28/572970628.db2.gz IYXBHEVDOBWXOQ-NSHDSACASA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@H](C[NH+](CC)CC)C(=O)[O-] 86685903 572970633 /nfs/dbraw/zinc/97/06/33/572970633.db2.gz GLGOHLRWAQENED-MRVPVSSYSA-N 0 0 173.256 1.439 10 0 ADAERN O=C([O-])CCCC[NH+]1CC2(CC2)C1 86685187 572970640 /nfs/dbraw/zinc/97/06/40/572970640.db2.gz NNAWRAYAOWQCSS-UHFFFAOYSA-N 0 0 183.251 1.337 10 0 ADAERN CC(C)C[C@H](CC(=O)[O-])C[NH+](C)C 86686253 572970650 /nfs/dbraw/zinc/97/06/50/572970650.db2.gz MMJQHUPGNDKFMP-SECBINFHSA-N 0 0 187.283 1.685 10 0 ADAERN CC[C@@H](C)[NH2+]C(C)(C)CC(=O)[O-] 86685594 572970651 /nfs/dbraw/zinc/97/06/51/572970651.db2.gz WLQFEHYKRUREEU-SSDOTTSWSA-N 0 0 173.256 1.628 10 0 ADAERN CCC[C@@H](C[NH+]1CC(CC)C1)C(=O)[O-] 86686008 572970658 /nfs/dbraw/zinc/97/06/58/572970658.db2.gz MSKIDSIHVCQJHB-JTQLQIEISA-N 0 0 199.294 1.829 10 0 ADAERN CCCC1C[NH+](CCCCC(=O)[O-])C1 86685180 572970659 /nfs/dbraw/zinc/97/06/59/572970659.db2.gz HFBSIQHBEWXCHL-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC[C@H](C)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1 86687203 572970670 /nfs/dbraw/zinc/97/06/70/572970670.db2.gz RLKJAFMJUFRUKW-YIZRAAEISA-N 0 0 183.251 1.404 10 0 ADAERN CC[NH+](CC)[C@@H]1C=C[C@@H](C(=O)[O-])C1 86687093 572971916 /nfs/dbraw/zinc/97/19/16/572971916.db2.gz OGZHDGUDYZZRIR-RKDXNWHRSA-N 0 0 183.251 1.358 10 0 ADAERN CC(C)(O)[C@@H](O)CCn1cccc1 238184187 572970688 /nfs/dbraw/zinc/97/06/88/572970688.db2.gz UPQWDOHOVRGRKN-VIFPVBQESA-N 0 0 183.251 1.010 10 0 ADAERN CC[NH+](CC)[C@@H]1CCC[C@@H](C(=O)[O-])C1 86684841 572970692 /nfs/dbraw/zinc/97/06/92/572970692.db2.gz OPAQKPIDGVETJZ-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CCC1C[NH+](C[C@@H](CC)C(=O)[O-])C1 86685932 572970703 /nfs/dbraw/zinc/97/07/03/572970703.db2.gz MEYQMGYBKTUDMN-SECBINFHSA-N 0 0 185.267 1.439 10 0 ADAERN CC(C)C1C[NH+](CCCCC(=O)[O-])C1 86685185 572970716 /nfs/dbraw/zinc/97/07/16/572970716.db2.gz MKWIDXRGCILAOV-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN CC1C[NH+](CC[C@@H](C)CCC(=O)[O-])C1 86685315 572970727 /nfs/dbraw/zinc/97/07/27/572970727.db2.gz ZPUQMMBCGSFRJF-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)[C@H](C[N@@H+]1CC[C@@H]1C)C(=O)[O-] 86685855 572970738 /nfs/dbraw/zinc/97/07/38/572970738.db2.gz XCDXWFISRQRQER-IUCAKERBSA-N 0 0 185.267 1.437 10 0 ADAERN CCCC1C[NH+]([C@H](C)CCC(=O)[O-])C1 86685232 572970747 /nfs/dbraw/zinc/97/07/47/572970747.db2.gz OWKIEONZFLXMQY-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN OCc1cc(Cl)nnc1Cl 59437818 572970764 /nfs/dbraw/zinc/97/07/64/572970764.db2.gz PGICESQILFHKHS-UHFFFAOYSA-N 0 0 179.006 1.276 10 0 ADAERN CCCC(CO)(CCC)[C@@H](C)O 238184376 572970768 /nfs/dbraw/zinc/97/07/68/572970768.db2.gz XSRANQOODBADHX-SECBINFHSA-N 0 0 174.284 1.946 10 0 ADAERN C[C@@H](CCC(=O)[O-])CC[N@@H+]1CC[C@@H]1C 86685331 572970770 /nfs/dbraw/zinc/97/07/70/572970770.db2.gz PDNCLGDIFTUIRD-UWVGGRQHSA-N 0 0 199.294 1.972 10 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/nfs/dbraw/zinc/97/08/65/572970865.db2.gz WIKQSDRRZYASKU-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH+]1CC2(CCC2)C1 86685207 572970896 /nfs/dbraw/zinc/97/08/96/572970896.db2.gz BMGKVDDRNVQITG-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@H](C)[NH2+]C[C@H](CC)C(=O)[O-] 86685959 572970903 /nfs/dbraw/zinc/97/09/03/572970903.db2.gz OQOWALGEAYUWJR-YUMQZZPRSA-N 0 0 173.256 1.485 10 0 ADAERN CCC[C@@H](C[NH+](CC)CC)C(=O)[O-] 86685980 572970924 /nfs/dbraw/zinc/97/09/24/572970924.db2.gz DUUXEIIAJHDXHO-VIFPVBQESA-N 0 0 187.283 1.829 10 0 ADAERN CC[C@@H](C[NH+]1CC(C)C1)C(=O)[O-] 86685918 572970928 /nfs/dbraw/zinc/97/09/28/572970928.db2.gz YIHKUSXGBAKSND-QMMMGPOBSA-N 0 0 171.240 1.049 10 0 ADAERN CCC(CC)OC(=O)[C@H](C)[C@@H](C)O 238181060 572970938 /nfs/dbraw/zinc/97/09/38/572970938.db2.gz JZRNBKLJWLNAFG-HTQZYQBOSA-N 0 0 188.267 1.735 10 0 ADAERN CC[C@@H](C[NH+]1CC2(CC2)C1)C(=O)[O-] 86685965 572970939 /nfs/dbraw/zinc/97/09/39/572970939.db2.gz SZWNAXGTELGCSU-QMMMGPOBSA-N 0 0 183.251 1.193 10 0 ADAERN CCOCCn1c(C)c[nH]c1=S 88146162 572970941 /nfs/dbraw/zinc/97/09/41/572970941.db2.gz SNIHWUCDRRMXEW-UHFFFAOYSA-N 0 0 186.280 1.891 10 0 ADAERN CC[C@@H](C[NH+]1CC(C(C)C)C1)C(=O)[O-] 86685961 572970947 /nfs/dbraw/zinc/97/09/47/572970947.db2.gz CEYAJCVJMVWRDO-VIFPVBQESA-N 0 0 199.294 1.685 10 0 ADAERN CC[N@H+](C)CCn1cc(C)[nH]c1=S 88155049 572970951 /nfs/dbraw/zinc/97/09/51/572970951.db2.gz KFDWMPPUHBDWQA-UHFFFAOYSA-N 0 0 199.323 1.806 10 0 ADAERN CCC[C@H](C[NH+]1CC(C)(C)C1)C(=O)[O-] 86685978 572970953 /nfs/dbraw/zinc/97/09/53/572970953.db2.gz LVNODQCSVJANGK-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@H](C)[NH2+]C[C@@H](CC)C(=O)[O-] 86685956 572970955 /nfs/dbraw/zinc/97/09/55/572970955.db2.gz OQOWALGEAYUWJR-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN CCC1C[NH+]([C@@H](C(=O)[O-])C2CC2)C1 86684758 572970959 /nfs/dbraw/zinc/97/09/59/572970959.db2.gz URBXESOILTUQEF-SECBINFHSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH+]1CC2(CC2)C1 86685238 572970965 /nfs/dbraw/zinc/97/09/65/572970965.db2.gz XJFSGOLKNCOLRV-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH+]1CC2(CC2)C1 86685241 572970977 /nfs/dbraw/zinc/97/09/77/572970977.db2.gz XJFSGOLKNCOLRV-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN CCC1C[NH+]([C@@H](C)CCC(=O)[O-])C1 86685218 572970979 /nfs/dbraw/zinc/97/09/79/572970979.db2.gz CFVHAZAFDAAUDH-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)(O)C[C@H]1[C@H](CC(N)=O)C1(C)C 238181693 572970983 /nfs/dbraw/zinc/97/09/83/572970983.db2.gz YBHBWEHMNLPMQL-YUMQZZPRSA-N 0 0 199.294 1.295 10 0 ADAERN CCC[C@H](C[NH+]1CC(C)C1)C(=O)[O-] 86685996 572970992 /nfs/dbraw/zinc/97/09/92/572970992.db2.gz UPCSKSZUUSVKPF-SECBINFHSA-N 0 0 185.267 1.439 10 0 ADAERN CCOCCn1cc(C)[nH]c1=S 88154588 572970996 /nfs/dbraw/zinc/97/09/96/572970996.db2.gz BTQDSDSBTMYVAY-UHFFFAOYSA-N 0 0 186.280 1.891 10 0 ADAERN CC[NH+](CC)[C@@H]1CCC[C@H](C(=O)[O-])C1 86684838 572971008 /nfs/dbraw/zinc/97/10/08/572971008.db2.gz OPAQKPIDGVETJZ-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN COC(C)(C)C[C@H]1CC(=O)N[C@@H]1C 234653110 572971026 /nfs/dbraw/zinc/97/10/26/572971026.db2.gz ONSGKEJQXAGNMP-HTQZYQBOSA-N 0 0 185.267 1.326 10 0 ADAERN CCC1C[NH+](C(C)(C)CC(=O)[O-])C1 86685585 572971037 /nfs/dbraw/zinc/97/10/37/572971037.db2.gz QOQAPQSZVIFKDU-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN CCC1C[NH+]([C@H](C(=O)[O-])C2CC2)C1 86684756 572971041 /nfs/dbraw/zinc/97/10/41/572971041.db2.gz URBXESOILTUQEF-VIFPVBQESA-N 0 0 183.251 1.191 10 0 ADAERN CC1C[NH+](C[C@@H](C(=O)[O-])C(C)C)C1 86685837 572971049 /nfs/dbraw/zinc/97/10/49/572971049.db2.gz AVODGCVCVUMBNB-SECBINFHSA-N 0 0 185.267 1.295 10 0 ADAERN CCC1C[NH+](C[C@H](CC)C(=O)[O-])C1 86685934 572971061 /nfs/dbraw/zinc/97/10/61/572971061.db2.gz MEYQMGYBKTUDMN-VIFPVBQESA-N 0 0 185.267 1.439 10 0 ADAERN CCC(CC)OC(=O)[C@H](C)[C@H](C)O 238181081 572971065 /nfs/dbraw/zinc/97/10/65/572971065.db2.gz JZRNBKLJWLNAFG-SFYZADRCSA-N 0 0 188.267 1.735 10 0 ADAERN CC[C@@H](C[NH+]1CCC(C)CC1)C(=O)[O-] 86685922 572971066 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0 199.294 1.685 10 0 ADAERN CC(C)C1C[NH+]([C@@H](C(=O)[O-])C2CC2)C1 86684774 572971104 /nfs/dbraw/zinc/97/11/04/572971104.db2.gz HBTWSYJMNVZZCO-SNVBAGLBSA-N 0 0 197.278 1.437 10 0 ADAERN COCCCn1cc(C)[nH]c1=S 88154500 572971116 /nfs/dbraw/zinc/97/11/16/572971116.db2.gz LHTGSWXFJWFCCD-UHFFFAOYSA-N 0 0 186.280 1.891 10 0 ADAERN CCC[C@H](C[NH+](C)C)C(=O)[O-] 86686030 572971119 /nfs/dbraw/zinc/97/11/19/572971119.db2.gz TZJZQELXAKTCIW-SSDOTTSWSA-N 0 0 159.229 1.049 10 0 ADAERN CC(C)[C@H](C[N@@H+]1CC[C@H]1C)C(=O)[O-] 86685853 572971122 /nfs/dbraw/zinc/97/11/22/572971122.db2.gz XCDXWFISRQRQER-BDAKNGLRSA-N 0 0 185.267 1.437 10 0 ADAERN CCC(CC)OC(=O)[C@@H](C)[C@H](C)O 238181002 572971126 /nfs/dbraw/zinc/97/11/26/572971126.db2.gz JZRNBKLJWLNAFG-YUMQZZPRSA-N 0 0 188.267 1.735 10 0 ADAERN CC(C)[C@H](C[NH+]1CC2(CC2)C1)C(=O)[O-] 86685886 572971134 /nfs/dbraw/zinc/97/11/34/572971134.db2.gz RGJZNOSJBIRYAA-VIFPVBQESA-N 0 0 197.278 1.439 10 0 ADAERN C[C@@H](CCC(=O)[O-])CC[N@@H+]1CC[C@H]1C 86685330 572971135 /nfs/dbraw/zinc/97/11/35/572971135.db2.gz PDNCLGDIFTUIRD-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@@H](C[NH+]1CC2(CC2)C1)C(=O)[O-] 86686046 572971147 /nfs/dbraw/zinc/97/11/47/572971147.db2.gz BJNHNRYQCLFZFX-VIFPVBQESA-N 0 0 197.278 1.583 10 0 ADAERN CCC[C@@H](C[NH+]1CC(C)(C)C1)C(=O)[O-] 86685976 572971149 /nfs/dbraw/zinc/97/11/49/572971149.db2.gz LVNODQCSVJANGK-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CC(=O)OC[C@@H](CO)CC(C)C 238185856 572971194 /nfs/dbraw/zinc/97/11/94/572971194.db2.gz DHMCFWWDIKEMSR-SECBINFHSA-N 0 0 174.240 1.204 10 0 ADAERN CC(=O)c1ccc(C(=O)OC(C)C)[nH]1 238183553 572971197 /nfs/dbraw/zinc/97/11/97/572971197.db2.gz AAIJVXWGYQWALD-UHFFFAOYSA-N 0 0 195.218 1.783 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH+]1CC2(CCC2)C1 86685209 572971201 /nfs/dbraw/zinc/97/12/01/572971201.db2.gz BMGKVDDRNVQITG-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC(C)C1C[NH+]([C@H](C(=O)[O-])C2CC2)C1 86684772 572971204 /nfs/dbraw/zinc/97/12/04/572971204.db2.gz 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ADAERN CC[C@H](C[NH+]1CCCCCC1)C(=O)[O-] 86685953 572971361 /nfs/dbraw/zinc/97/13/61/572971361.db2.gz OIHPWWNRZNYAFH-SNVBAGLBSA-N 0 0 199.294 1.973 10 0 ADAERN CC[N@H+](C)CCn1c(C)c[nH]c1=S 88146635 572971371 /nfs/dbraw/zinc/97/13/71/572971371.db2.gz JZXFYHJYKJCKRR-UHFFFAOYSA-N 0 0 199.323 1.806 10 0 ADAERN CC[C@H](C)[NH2+]C(C)(C)CC(=O)[O-] 86685596 572971372 /nfs/dbraw/zinc/97/13/72/572971372.db2.gz WLQFEHYKRUREEU-ZETCQYMHSA-N 0 0 173.256 1.628 10 0 ADAERN CC[C@@H](CCC(=O)[O-])CC[NH+](C)C 86685384 572971381 /nfs/dbraw/zinc/97/13/81/572971381.db2.gz TWBXCSAYDYDBOM-VIFPVBQESA-N 0 0 187.283 1.829 10 0 ADAERN CC(C)[C@H](C[NH+]1CCCCC1)C(=O)[O-] 86685844 572971383 /nfs/dbraw/zinc/97/13/83/572971383.db2.gz GGMUZJKBYZOGIB-JTQLQIEISA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)(O)C[C@@H]1[C@H](CNC#N)C1(C)C 238181075 572971387 /nfs/dbraw/zinc/97/13/87/572971387.db2.gz MWVPXTYAGADENH-BDAKNGLRSA-N 0 0 196.294 1.490 10 0 ADAERN CC(C)C1C[NH+](C(C)(C)CC(=O)[O-])C1 86685597 572971390 /nfs/dbraw/zinc/97/13/90/572971390.db2.gz IIWMYGTYOZDARS-UHFFFAOYSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](CCC(=O)[O-])[N@@H+]1CC[C@@H]1C 86685223 572971392 /nfs/dbraw/zinc/97/13/92/572971392.db2.gz WHIKOFWLXJVMIT-YUMQZZPRSA-N 0 0 171.240 1.334 10 0 ADAERN COC(C)(C)C[C@H]1CC(=O)NC1(C)C 234653083 572971406 /nfs/dbraw/zinc/97/14/06/572971406.db2.gz QTRMDZWRXOQVGS-MRVPVSSYSA-N 0 0 199.294 1.716 10 0 ADAERN CC[NH+](CC)[C@@H]1C=C[C@H](C(=O)[O-])C1 86687098 572971418 /nfs/dbraw/zinc/97/14/18/572971418.db2.gz OGZHDGUDYZZRIR-DTWKUNHWSA-N 0 0 183.251 1.358 10 0 ADAERN CC[NH+](CC)C[C@@H](C(=O)[O-])C(C)C 86685823 572971433 /nfs/dbraw/zinc/97/14/33/572971433.db2.gz OWOWFRQTMOYCMN-SECBINFHSA-N 0 0 187.283 1.685 10 0 ADAERN Cc1ccc(N)c2c1C[C@H](C)N2 713805990 572971438 /nfs/dbraw/zinc/97/14/38/572971438.db2.gz ABZSGHZDKFTSKP-ZETCQYMHSA-N 0 0 162.236 1.934 10 0 ADAERN CC[NH+](CC)C[C@H]1CCC[C@@H]1C(=O)[O-] 86686342 572971439 /nfs/dbraw/zinc/97/14/39/572971439.db2.gz KCXZKDLXLOTMHQ-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN O=C([O-])CCC[NH+]1CC2(CCC2)C1 86683152 572973828 /nfs/dbraw/zinc/97/38/28/572973828.db2.gz DOOPXJJZTRLTME-UHFFFAOYSA-N 0 0 183.251 1.337 10 0 ADAERN CC[NH+](CC)C[C@@H]1CCC[C@@H]1C(=O)[O-] 86686339 572971471 /nfs/dbraw/zinc/97/14/71/572971471.db2.gz KCXZKDLXLOTMHQ-UWVGGRQHSA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)C1C[NH+]([C@@H](C)CCC(=O)[O-])C1 86685235 572971483 /nfs/dbraw/zinc/97/14/83/572971483.db2.gz WYUIRYISMXIBNL-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN CCCC(CCC)[C@H]1NC(=O)NC1=O 238183293 572971498 /nfs/dbraw/zinc/97/14/98/572971498.db2.gz HBTUXPBLNFDMQR-MRVPVSSYSA-N 0 0 198.266 1.411 10 0 ADAERN CC(C)SC[C@@H](C(=O)[O-])[NH+](C)C 238185816 572971503 /nfs/dbraw/zinc/97/15/03/572971503.db2.gz KQQPOOALBQIPEN-ZETCQYMHSA-N 0 0 191.296 1.143 10 0 ADAERN CCC[C@H](C[NH+](CC)CC)C(=O)[O-] 86685983 572971505 /nfs/dbraw/zinc/97/15/05/572971505.db2.gz DUUXEIIAJHDXHO-SECBINFHSA-N 0 0 187.283 1.829 10 0 ADAERN COC[C@H](C)CC(C)=O 59458353 572971506 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/nfs/dbraw/zinc/97/15/65/572971565.db2.gz MWVPXTYAGADENH-DTWKUNHWSA-N 0 0 196.294 1.490 10 0 ADAERN CCC1C[NH+]([C@H](C(=O)[O-])C(C)(C)C)C1 86685057 572971566 /nfs/dbraw/zinc/97/15/66/572971566.db2.gz DXYVBZOCIFVEFU-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1Cc2ccc(N)c(N)c2N1 713807089 572971615 /nfs/dbraw/zinc/97/16/15/572971615.db2.gz KPITWAOZCXQKIU-YFKPBYRVSA-N 0 0 163.224 1.208 10 0 ADAERN CC[C@H](C[NH+]1CC2(CC2)C1)C(=O)[O-] 86685967 572971618 /nfs/dbraw/zinc/97/16/18/572971618.db2.gz SZWNAXGTELGCSU-MRVPVSSYSA-N 0 0 183.251 1.193 10 0 ADAERN CC[C@H](C[NH2+]C(C)C)C(=O)[O-] 86685905 572971626 /nfs/dbraw/zinc/97/16/26/572971626.db2.gz VAJIZWULFKEYKS-SSDOTTSWSA-N 0 0 159.229 1.095 10 0 ADAERN CCCS(=O)(=O)CCC(C)C 116891369 572971652 /nfs/dbraw/zinc/97/16/52/572971652.db2.gz XWYMUYFKFOSZGV-UHFFFAOYSA-N 0 0 178.297 1.857 10 0 ADAERN CCC[C@H](C[NH+]1CC(CC)C1)C(=O)[O-] 86686009 572971666 /nfs/dbraw/zinc/97/16/66/572971666.db2.gz MSKIDSIHVCQJHB-SNVBAGLBSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@@H](CCC(=O)[O-])CC[NH+](C)C 86685340 572971682 /nfs/dbraw/zinc/97/16/82/572971682.db2.gz OWZXZNNHEIFAHM-QMMMGPOBSA-N 0 0 173.256 1.439 10 0 ADAERN C[C@@H]1CC[N@@H+]1CCCCC(=O)[O-] 86685173 572971690 /nfs/dbraw/zinc/97/16/90/572971690.db2.gz LLEIOAMGIIRQCB-MRVPVSSYSA-N 0 0 171.240 1.336 10 0 ADAERN CC1C[NH+](CC[C@H](C)CCC(=O)[O-])C1 86685317 572971705 /nfs/dbraw/zinc/97/17/05/572971705.db2.gz ZPUQMMBCGSFRJF-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN C[NH+](C)CCC(C)(C)CCC(=O)[O-] 86686101 572971724 /nfs/dbraw/zinc/97/17/24/572971724.db2.gz WOYRUSARZWKEHQ-UHFFFAOYSA-N 0 0 187.283 1.829 10 0 ADAERN Cc1cccc(CNCC(F)F)n1 51576487 572971732 /nfs/dbraw/zinc/97/17/32/572971732.db2.gz ZEWJQJXRJQWILK-UHFFFAOYSA-N 0 0 186.205 1.745 10 0 ADAERN CCC1C[NH+]([C@@](C)(C(=O)[O-])C2CC2)C1 86685524 572971741 /nfs/dbraw/zinc/97/17/41/572971741.db2.gz IYXBHEVDOBWXOQ-LLVKDONJSA-N 0 0 197.278 1.582 10 0 ADAERN COC(C)(C)C[C@H]1CC(=O)CCO1 234652995 572971752 /nfs/dbraw/zinc/97/17/52/572971752.db2.gz BFVHJGUTLPTVQJ-SECBINFHSA-N 0 0 186.251 1.550 10 0 ADAERN C[C@@H](CCC[C@H](C)[NH+](C)C)C(=O)[O-] 86686157 572971767 /nfs/dbraw/zinc/97/17/67/572971767.db2.gz RKYUEVDOPBZISB-IUCAKERBSA-N 0 0 187.283 1.828 10 0 ADAERN CCC(CC)[C@@H](C)OC(N)=O 238184351 572971784 /nfs/dbraw/zinc/97/17/84/572971784.db2.gz AQMCGFHUIOCDEN-ZCFIWIBFSA-N 0 0 159.229 1.906 10 0 ADAERN CC[C@H](C[NH+]1CC(C)(C)C1)C(=O)[O-] 86685896 572971785 /nfs/dbraw/zinc/97/17/85/572971785.db2.gz WIKQSDRRZYASKU-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN CC[NH+](CC)[C@H]1CCC[C@H](C(=O)[O-])C1 86684840 572971798 /nfs/dbraw/zinc/97/17/98/572971798.db2.gz OPAQKPIDGVETJZ-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1c[nH]c(=S)n1CCCC(N)=O 88146184 572971802 /nfs/dbraw/zinc/97/18/02/572971802.db2.gz DYPYROMHXBVSOP-UHFFFAOYSA-N 0 0 199.279 1.120 10 0 ADAERN CCOC(=O)/C=C/C(=O)NC(C)(C)C 59465654 572971816 /nfs/dbraw/zinc/97/18/16/572971816.db2.gz DAUDWISEHMFOBB-VOTSOKGWSA-N 0 0 199.250 1.020 10 0 ADAERN CC1C[NH+](C[C@H](C(=O)[O-])C(C)C)C1 86685835 572971819 /nfs/dbraw/zinc/97/18/19/572971819.db2.gz AVODGCVCVUMBNB-VIFPVBQESA-N 0 0 185.267 1.295 10 0 ADAERN CCCS(=O)(=O)C(C)C 116891480 572971830 /nfs/dbraw/zinc/97/18/30/572971830.db2.gz ZYBOLELRGPHQFH-UHFFFAOYSA-N 0 0 150.243 1.220 10 0 ADAERN C/C=C/COCC(=O)CP 59426286 572971839 /nfs/dbraw/zinc/97/18/39/572971839.db2.gz HQXLZTYRNCPNJY-NSCUHMNNSA-N 0 0 160.153 1.023 10 0 ADAERN CC[C@@H](C)[NH2+]C[C@@H](CC)C(=O)[O-] 86685954 572971842 /nfs/dbraw/zinc/97/18/42/572971842.db2.gz OQOWALGEAYUWJR-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN CCC[C@H](C[NH+]1CC2(CC2)C1)C(=O)[O-] 86686048 572971852 /nfs/dbraw/zinc/97/18/52/572971852.db2.gz BJNHNRYQCLFZFX-SECBINFHSA-N 0 0 197.278 1.583 10 0 ADAERN CCC[C@@H](C[NH+]1CCCCC1)C(=O)[O-] 86686002 572971876 /nfs/dbraw/zinc/97/18/76/572971876.db2.gz XIDLZHLFBFKQIZ-JTQLQIEISA-N 0 0 199.294 1.973 10 0 ADAERN C=CC(=O)NCc1cccc(C)n1 51575835 572971882 /nfs/dbraw/zinc/97/18/82/572971882.db2.gz LLKBLVXOZYGQPD-UHFFFAOYSA-N 0 0 176.219 1.192 10 0 ADAERN COCCCn1c(C)c[nH]c1=S 88146052 572971900 /nfs/dbraw/zinc/97/19/00/572971900.db2.gz LKELUWIKEQHZKL-UHFFFAOYSA-N 0 0 186.280 1.891 10 0 ADAERN CCC[C@H](C[NH2+][C@H](C)CC)C(=O)[O-] 86686041 572971905 /nfs/dbraw/zinc/97/19/05/572971905.db2.gz MPKIUZGBYKLZFS-RKDXNWHRSA-N 0 0 187.283 1.875 10 0 ADAERN CC1C[NH+](CCCCC(=O)[O-])C1 86685166 572971911 /nfs/dbraw/zinc/97/19/11/572971911.db2.gz CLANUPAKLQOYEI-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN CCC[C@@H](C[NH2+][C@H](C)CC)C(=O)[O-] 86686039 572971926 /nfs/dbraw/zinc/97/19/26/572971926.db2.gz MPKIUZGBYKLZFS-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CC(=O)CC[C@@H](CC(C)C)C(N)=O 238181004 572971927 /nfs/dbraw/zinc/97/19/27/572971927.db2.gz SYKWSZYUGANYNB-VIFPVBQESA-N 0 0 185.267 1.503 10 0 ADAERN CCC[C@H](C(=O)[O-])[NH+]1CC(C(C)C)C1 86683953 572973837 /nfs/dbraw/zinc/97/38/37/572973837.db2.gz WZRRADUVJMTMDX-SNVBAGLBSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](CCC(=O)[O-])[N@@H+]1CC[C@H]1C 86685222 572971928 /nfs/dbraw/zinc/97/19/28/572971928.db2.gz WHIKOFWLXJVMIT-JGVFFNPUSA-N 0 0 171.240 1.334 10 0 ADAERN CC[C@H](C[N@@H+]1CC[C@@H]1C)C(=O)[O-] 86685939 572971954 /nfs/dbraw/zinc/97/19/54/572971954.db2.gz WVLDRIYXOGGFOZ-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1cn(CCCC(N)=O)c(=S)[nH]1 88154607 572971969 /nfs/dbraw/zinc/97/19/69/572971969.db2.gz LQEVTNUKWKRLIO-UHFFFAOYSA-N 0 0 199.279 1.120 10 0 ADAERN CCCC1C[NH+]([C@@H](C(=O)[O-])C2CC2)C1 86684770 572971978 /nfs/dbraw/zinc/97/19/78/572971978.db2.gz LQONAVUEZVGCON-SNVBAGLBSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)C1C[NH+]([C@H](C)CCC(=O)[O-])C1 86685237 572971981 /nfs/dbraw/zinc/97/19/81/572971981.db2.gz WYUIRYISMXIBNL-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C[NH+]1CC(C(C)C)C1)C(=O)[O-] 86685964 572971992 /nfs/dbraw/zinc/97/19/92/572971992.db2.gz CEYAJCVJMVWRDO-SECBINFHSA-N 0 0 199.294 1.685 10 0 ADAERN CCC(CC)OC(=O)/C=C/C=C/CO 238181137 572971994 /nfs/dbraw/zinc/97/19/94/572971994.db2.gz BJXXFKMRHYKPNR-KQQUZDAGSA-N 0 0 198.262 1.823 10 0 ADAERN CCC[C@H](C[NH+]1CCCCC1)C(=O)[O-] 86686003 572971998 /nfs/dbraw/zinc/97/19/98/572971998.db2.gz XIDLZHLFBFKQIZ-SNVBAGLBSA-N 0 0 199.294 1.973 10 0 ADAERN CCNc1cccc2c1C(=O)NC2=O 199879187 572972004 /nfs/dbraw/zinc/97/20/04/572972004.db2.gz PVXNLZQUXQABGS-UHFFFAOYSA-N 0 0 190.202 1.002 10 0 ADAERN CC(C)[C@@H](C[NH+]1CCCCC1)C(=O)[O-] 86685842 572972011 /nfs/dbraw/zinc/97/20/11/572972011.db2.gz GGMUZJKBYZOGIB-SNVBAGLBSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH+]1CC(C)(C)C1 86685193 572972020 /nfs/dbraw/zinc/97/20/20/572972020.db2.gz UGWVAOGVDIBLGM-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@@H](C[NH+](CC)CC)C(=O)[O-] 86685901 572972021 /nfs/dbraw/zinc/97/20/21/572972021.db2.gz GLGOHLRWAQENED-QMMMGPOBSA-N 0 0 173.256 1.439 10 0 ADAERN CC(C)C[C@@H](CC(=O)[O-])C[NH+](C)C 86686252 572972027 /nfs/dbraw/zinc/97/20/27/572972027.db2.gz MMJQHUPGNDKFMP-VIFPVBQESA-N 0 0 187.283 1.685 10 0 ADAERN COC(C)(C)C[C@H]1CC(=O)N[C@H]1C 234653283 572972031 /nfs/dbraw/zinc/97/20/31/572972031.db2.gz ONSGKEJQXAGNMP-JGVFFNPUSA-N 0 0 185.267 1.326 10 0 ADAERN COC1(CN2CCC(=O)CC2)CCC1 234652496 572972032 /nfs/dbraw/zinc/97/20/32/572972032.db2.gz AKCFVDICGBOTIN-UHFFFAOYSA-N 0 0 197.278 1.220 10 0 ADAERN CCCC1C[NH+](C(C)(C)CC(=O)[O-])C1 86685592 572972039 /nfs/dbraw/zinc/97/20/39/572972039.db2.gz LZWAVGOCMDWVOK-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](CCC(=O)[O-])CC[NH+](C)C 86685387 572972049 /nfs/dbraw/zinc/97/20/49/572972049.db2.gz TWBXCSAYDYDBOM-SECBINFHSA-N 0 0 187.283 1.829 10 0 ADAERN CC[C@@H](C[N@@H+]1CC[C@@H]1C)C(=O)[O-] 86685937 572972054 /nfs/dbraw/zinc/97/20/54/572972054.db2.gz WVLDRIYXOGGFOZ-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@H](C)[NH2+][C@@H]1C=C[C@@H](C(=O)[O-])C1 86687206 572972060 /nfs/dbraw/zinc/97/20/60/572972060.db2.gz RLKJAFMJUFRUKW-DJLDLDEBSA-N 0 0 183.251 1.404 10 0 ADAERN CCC[NH+](CCC)C1(C(=O)[O-])CC1 86686217 572972066 /nfs/dbraw/zinc/97/20/66/572972066.db2.gz MKJXTUOVDXYOPC-UHFFFAOYSA-N 0 0 185.267 1.726 10 0 ADAERN CC(C)[C@H](C[NH+]1CC(C)(C)C1)C(=O)[O-] 86685820 572972075 /nfs/dbraw/zinc/97/20/75/572972075.db2.gz UOKVBQIRLHSPQR-VIFPVBQESA-N 0 0 199.294 1.685 10 0 ADAERN CCC1C[NH+]([C@@H](C(=O)[O-])C(C)(C)C)C1 86685055 572972077 /nfs/dbraw/zinc/97/20/77/572972077.db2.gz DXYVBZOCIFVEFU-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H](CCC[C@@H](C)[NH+](C)C)C(=O)[O-] 86686155 572972086 /nfs/dbraw/zinc/97/20/86/572972086.db2.gz RKYUEVDOPBZISB-RKDXNWHRSA-N 0 0 187.283 1.828 10 0 ADAERN CCC[C@@H](C[NH2+]C(C)C)C(=O)[O-] 86685984 572972097 /nfs/dbraw/zinc/97/20/97/572972097.db2.gz OHKKCQLSGXBNOE-QMMMGPOBSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@@H](C[NH+]1CC(C(C)(C)C)C1)C(=O)[O-] 86684725 572972099 /nfs/dbraw/zinc/97/20/99/572972099.db2.gz FMCISLYWUKASPV-QMMMGPOBSA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@H](C[NH+]1CCC(C)CC1)C(=O)[O-] 86685923 572972111 /nfs/dbraw/zinc/97/21/11/572972111.db2.gz KKTVJVRNZRTPQS-SNVBAGLBSA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@H](C[NH+]1CC2(CCC2)C1)C(=O)[O-] 86685916 572972119 /nfs/dbraw/zinc/97/21/19/572972119.db2.gz ZSXWMZAODZYAMB-SECBINFHSA-N 0 0 197.278 1.583 10 0 ADAERN O=C([O-])CCCC[NH+]1CC2(CCC2)C1 86685164 572972121 /nfs/dbraw/zinc/97/21/21/572972121.db2.gz FGNJQAABFVBAQL-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN CCCC1C[NH+](C2(C(=O)[O-])CC2)C1 86686218 572972125 /nfs/dbraw/zinc/97/21/25/572972125.db2.gz ILHNBEAFXNOPHC-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN CCC(CC)[C@@H](CC)C(N)=O 238184587 572972241 /nfs/dbraw/zinc/97/22/41/572972241.db2.gz ITVSLNQGQHAIIH-MRVPVSSYSA-N 0 0 157.257 1.934 10 0 ADAERN CC[C@@](C)(CO)CNn1cccc1 88176899 572972267 /nfs/dbraw/zinc/97/22/67/572972267.db2.gz CIGMPWNBYOVJKV-SNVBAGLBSA-N 0 0 182.267 1.440 10 0 ADAERN Cc1nn(C)c(C)c1[C@H]1C[C@H](O)[C@@H]1C 88178789 572972277 /nfs/dbraw/zinc/97/22/77/572972277.db2.gz KGCOGNHKLHLIGT-UASFKTIASA-N 0 0 194.278 1.521 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86682488 572972289 /nfs/dbraw/zinc/97/22/89/572972289.db2.gz JLXZNICFZZTCNT-IUCAKERBSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cn(C)nc1C 88178350 572972296 /nfs/dbraw/zinc/97/22/96/572972296.db2.gz DTSPDEIOIVFNQS-YWVKMMECSA-N 0 0 194.278 1.603 10 0 ADAERN C[C@H]1C[C@@H](O)[C@@H]1C 88178579 572972298 /nfs/dbraw/zinc/97/22/98/572972298.db2.gz FBIAJJOUKFHCRL-KVQBGUIXSA-N 0 0 100.161 1.023 10 0 ADAERN CCC(CC)(CO)CNc1cn[nH]c1 88175763 572972300 /nfs/dbraw/zinc/97/23/00/572972300.db2.gz JDINVVCAOFBGOM-UHFFFAOYSA-N 0 0 197.282 1.620 10 0 ADAERN c1cnc(OCc2nccs2)cn1 199930870 572972308 /nfs/dbraw/zinc/97/23/08/572972308.db2.gz UYBSFGLVSJNBRP-UHFFFAOYSA-N 0 0 193.231 1.512 10 0 ADAERN CCCC1C[NH+]([C@@H](C(=O)[O-])C(C)C)C1 86683353 572972317 /nfs/dbraw/zinc/97/23/17/572972317.db2.gz BBFUJGCFTCXBCK-SNVBAGLBSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1[C@@H](O)C[C@@H]1c1cccnc1 88178558 572972333 /nfs/dbraw/zinc/97/23/33/572972333.db2.gz SFQVNXWEKJEEQC-JEZHCXPESA-N 0 0 163.220 1.566 10 0 ADAERN CCCC[C@@H](C(=O)[O-])[NH+]1CC(CC)C1 86683853 572972334 /nfs/dbraw/zinc/97/23/34/572972334.db2.gz QGWZDAZCRHWBCC-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cnn(C)c1 88178482 572972355 /nfs/dbraw/zinc/97/23/55/572972355.db2.gz QKONHHVTOPDBPC-BBBLOLIVSA-N 0 0 180.251 1.295 10 0 ADAERN CC[C@@H]1[C@@H](O)C[C@H]1C 88178245 572972356 /nfs/dbraw/zinc/97/23/56/572972356.db2.gz BMLMQOJZQCUDCL-VQVTYTSYSA-N 0 0 114.188 1.413 10 0 ADAERN CC1C[NH+](CCCCCCC(=O)[O-])C1 86682385 572972361 /nfs/dbraw/zinc/97/23/61/572972361.db2.gz ULWLTLQXRIWPLW-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC(C)(CO)CNn1cccc1 88175116 572972371 /nfs/dbraw/zinc/97/23/71/572972371.db2.gz XUZNWQYROVOMSQ-UHFFFAOYSA-N 0 0 168.240 1.050 10 0 ADAERN CC[C@@H](C(=O)[O-])[NH+]1CC(C(C)(C)C)C1 86683808 572972372 /nfs/dbraw/zinc/97/23/72/572972372.db2.gz PVPANSYBLHNSJP-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH+]1CC(C(C)(C)C)C1 86683692 572972392 /nfs/dbraw/zinc/97/23/92/572972392.db2.gz OUUVWOHVYFXKFU-QMMMGPOBSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86682708 572972406 /nfs/dbraw/zinc/97/24/06/572972406.db2.gz XMURYZIEGDBRMO-DTWKUNHWSA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86682702 572972408 /nfs/dbraw/zinc/97/24/08/572972408.db2.gz XMURYZIEGDBRMO-IUCAKERBSA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@@](C)(CO)CNc1cccnc1 88175274 572972413 /nfs/dbraw/zinc/97/24/13/572972413.db2.gz LKGXUTRMBGJDJZ-LLVKDONJSA-N 0 0 194.278 1.902 10 0 ADAERN CC[C@@H](C)[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86682705 572972415 /nfs/dbraw/zinc/97/24/15/572972415.db2.gz XMURYZIEGDBRMO-RKDXNWHRSA-N 0 0 197.278 1.582 10 0 ADAERN CCC1(CC)C[NH+]([C@H](C)C(=O)[O-])C1 86683398 572972436 /nfs/dbraw/zinc/97/24/36/572972436.db2.gz ABUBMCCXYMQFRS-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H](CC1CC1)[NH2+][C@H]1CC[C@H]1C(=O)[O-] 300007826 572972444 /nfs/dbraw/zinc/97/24/44/572972444.db2.gz GRXRYAVSOZBXOM-QNSHHTMESA-N 0 0 197.278 1.628 10 0 ADAERN CC[C@@H](C)[C@@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86682697 572972452 /nfs/dbraw/zinc/97/24/52/572972452.db2.gz XMURYZIEGDBRMO-BDAKNGLRSA-N 0 0 197.278 1.582 10 0 ADAERN CCC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86683930 572972472 /nfs/dbraw/zinc/97/24/72/572972472.db2.gz NIHJVRGOZOVRMH-YUMQZZPRSA-N 0 0 171.240 1.334 10 0 ADAERN CCC1C[NH+](CCCCCC(=O)[O-])C1 86683267 572972487 /nfs/dbraw/zinc/97/24/87/572972487.db2.gz CHKZSEKBMUCBOV-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CCC[C@](C)(C(=O)[O-])[NH+]1CC(C)C1 86684027 572972507 /nfs/dbraw/zinc/97/25/07/572972507.db2.gz IXFURYULWZHDQA-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@@](C)(CO)CNc1ccn(C)n1 88175936 572972534 /nfs/dbraw/zinc/97/25/34/572972534.db2.gz VPBFVBSRGSDWRZ-SNVBAGLBSA-N 0 0 197.282 1.241 10 0 ADAERN CC[C@@H](C(=O)[O-])[NH+]1CC(CC)(CC)C1 86683738 572972562 /nfs/dbraw/zinc/97/25/62/572972562.db2.gz VFYKOQWHJSDOGX-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H]1[C@@H](O)C[C@@H]1c1ccncc1 88178614 572972567 /nfs/dbraw/zinc/97/25/67/572972567.db2.gz DOXAORTXEKGBDY-JEZHCXPESA-N 0 0 163.220 1.566 10 0 ADAERN CCC[C@](C)(C(=O)[O-])[NH+]1CC2(CC2)C1 86684064 572972569 /nfs/dbraw/zinc/97/25/69/572972569.db2.gz GTAWAVSJWUHHEA-SNVBAGLBSA-N 0 0 197.278 1.726 10 0 ADAERN CCC[C@@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86683954 572972572 /nfs/dbraw/zinc/97/25/72/572972572.db2.gz WVRRVXFQJQCAJS-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86682645 572972577 /nfs/dbraw/zinc/97/25/77/572972577.db2.gz HEIWPMCTEHMISA-CIUDSAMLSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@@]1(C)[C@@H](O)C[C@@H]1c1cnccn1 88179350 572972596 /nfs/dbraw/zinc/97/25/96/572972596.db2.gz NUFOFYLOWAOUMB-DVVUODLYSA-N 0 0 192.262 1.741 10 0 ADAERN CCCC1C[NH+](CCCC(=O)[O-])C1 86683169 572972603 /nfs/dbraw/zinc/97/26/03/572972603.db2.gz SQVFRVCPLZZGBP-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN CCC1C[NH+](CCCC(=O)[O-])C1 86683159 572972630 /nfs/dbraw/zinc/97/26/30/572972630.db2.gz XEQQLTUMQYQZIF-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN CC[C@](C)(CO)CNc1cccnc1 88175273 572972631 /nfs/dbraw/zinc/97/26/31/572972631.db2.gz LKGXUTRMBGJDJZ-NSHDSACASA-N 0 0 194.278 1.902 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[NH+]1CC(C)C1 86682463 572972632 /nfs/dbraw/zinc/97/26/32/572972632.db2.gz YZGLFSFBPAGZDC-VIFPVBQESA-N 0 0 185.267 1.437 10 0 ADAERN CC(C)C1C[NH+]([C@@H](C(=O)[O-])C(C)C)C1 86683360 572972643 /nfs/dbraw/zinc/97/26/43/572972643.db2.gz RQSJXUJPZFEMTR-SNVBAGLBSA-N 0 0 199.294 1.683 10 0 ADAERN CCC[C@@](C)(C(=O)[O-])[NH+]1CC2(CC2)C1 86684063 572972655 /nfs/dbraw/zinc/97/26/55/572972655.db2.gz GTAWAVSJWUHHEA-JTQLQIEISA-N 0 0 197.278 1.726 10 0 ADAERN Cc1nn(C)cc1[C@H]1C[C@H](O)[C@@H]1C 88178741 572972659 /nfs/dbraw/zinc/97/26/59/572972659.db2.gz BQJRCGNVDBOSQY-PMVVWTBXSA-N 0 0 180.251 1.213 10 0 ADAERN CC[C@@](C)(CO)CNc1cn[nH]c1 88175762 572972671 /nfs/dbraw/zinc/97/26/71/572972671.db2.gz JQZNWALMNCFOEW-SECBINFHSA-N 0 0 183.255 1.230 10 0 ADAERN CCC[C@@H](C(=O)[O-])[NH+]1CC(CC)C1 86683926 572972739 /nfs/dbraw/zinc/97/27/39/572972739.db2.gz VXCOCHZPVDGINU-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN CC1C[NH+](CCCCCC(=O)[O-])C1 86683261 572972701 /nfs/dbraw/zinc/97/27/01/572972701.db2.gz XJMWAXBVONNBIG-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN Cc1nn(C)c(C)c1[C@H]1C[C@@H](O)[C@@H]1C 88178791 572972712 /nfs/dbraw/zinc/97/27/12/572972712.db2.gz KGCOGNHKLHLIGT-WHFVKQHSSA-N 0 0 194.278 1.521 10 0 ADAERN CCCC[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683815 572972713 /nfs/dbraw/zinc/97/27/13/572972713.db2.gz CGPRPXFRBZHGKF-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86682449 572972717 /nfs/dbraw/zinc/97/27/17/572972717.db2.gz ORIAOBOLAPYHOR-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN CCC1C[NH+]([C@@H](C)CC(=O)[O-])C1 86683657 572972730 /nfs/dbraw/zinc/97/27/30/572972730.db2.gz KYBKTMPSVNASQJ-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN CCC(CC)(CO)CNn1cccc1 88176900 572972745 /nfs/dbraw/zinc/97/27/45/572972745.db2.gz ULKXHIHBSKSZFK-UHFFFAOYSA-N 0 0 196.294 1.830 10 0 ADAERN CC[C@](C)(CO)CNc1cnn(C)c1 88175751 572972756 /nfs/dbraw/zinc/97/27/56/572972756.db2.gz QVYAMDNWXHWNPP-JTQLQIEISA-N 0 0 197.282 1.241 10 0 ADAERN CCCC1C[NH+]([C@H](CCC)C(=O)[O-])C1 86683948 572972761 /nfs/dbraw/zinc/97/27/61/572972761.db2.gz WYJBYPDLOISKBO-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1nn(C)cc1[C@H]1C[C@@H](O)[C@@H]1C 88178743 572972764 /nfs/dbraw/zinc/97/27/64/572972764.db2.gz BQJRCGNVDBOSQY-KDILMLJESA-N 0 0 180.251 1.213 10 0 ADAERN CCCC[C@H](C(=O)[O-])[NH+]1CC(CC)C1 86683855 572972774 /nfs/dbraw/zinc/97/27/74/572972774.db2.gz QGWZDAZCRHWBCC-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)(C)C1C[NH+](CCCC(=O)[O-])C1 86683180 572972789 /nfs/dbraw/zinc/97/27/89/572972789.db2.gz PEGKMIWXRWBWHU-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN CCC[C@@](C)(C(=O)[O-])[NH+]1CC(C)(C)C1 86684007 572972805 /nfs/dbraw/zinc/97/28/05/572972805.db2.gz VFEADPXIJFPBNE-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CCCC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86683860 572972811 /nfs/dbraw/zinc/97/28/11/572972811.db2.gz WNNGTBNEMHXRMM-DTWKUNHWSA-N 0 0 185.267 1.724 10 0 ADAERN CCC1C[NH+]([C@H](C(=O)[O-])[C@H](C)CC)C1 86682636 572972814 /nfs/dbraw/zinc/97/28/14/572972814.db2.gz CNCGOAOSFOWFBQ-SCZZXKLOSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cnccn1 88178298 572972825 /nfs/dbraw/zinc/97/28/25/572972825.db2.gz CDAXAWQACFQQGF-WEDXCCLWSA-N 0 0 178.235 1.351 10 0 ADAERN CCCC1C[NH+]([C@@H](C)C(=O)[O-])C1 86683441 572972852 /nfs/dbraw/zinc/97/28/52/572972852.db2.gz NMBLAABEUZTYKR-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN CCC[C@H](C(=O)[O-])[NH+]1CC(CC)C1 86683929 572972854 /nfs/dbraw/zinc/97/28/54/572972854.db2.gz VXCOCHZPVDGINU-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN CCCC[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86683857 572972866 /nfs/dbraw/zinc/97/28/66/572972866.db2.gz WNNGTBNEMHXRMM-IUCAKERBSA-N 0 0 185.267 1.724 10 0 ADAERN CCC1C[NH+]([C@@H](CC)C(=O)[O-])C1 86683764 572972869 /nfs/dbraw/zinc/97/28/69/572972869.db2.gz WNRGFPZEDRWMBI-QMMMGPOBSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cccnc1 88178234 572972870 /nfs/dbraw/zinc/97/28/70/572972870.db2.gz LWXDIMNHZOOZSB-MXWKQRLJSA-N 0 0 177.247 1.956 10 0 ADAERN CC[C@](C)(CO)CNCC(F)(F)F 88175204 572972891 /nfs/dbraw/zinc/97/28/91/572972891.db2.gz HIJVSCOQLXYVOO-ZETCQYMHSA-N 0 0 199.216 1.547 10 0 ADAERN CCC[C@@](C)(C(=O)[O-])[N@@H+]1CC[C@@H]1C 86684039 572972897 /nfs/dbraw/zinc/97/28/97/572972897.db2.gz PXPNOFWWCALTQK-WPRPVWTQSA-N 0 0 185.267 1.724 10 0 ADAERN CC[C@@](C)(CO)CNc1cnn(C)c1 88175752 572972902 /nfs/dbraw/zinc/97/29/02/572972902.db2.gz QVYAMDNWXHWNPP-SNVBAGLBSA-N 0 0 197.282 1.241 10 0 ADAERN CCC[C@@H](C(=O)[O-])[NH+]1CC(C(C)C)C1 86683949 572972912 /nfs/dbraw/zinc/97/29/12/572972912.db2.gz WZRRADUVJMTMDX-JTQLQIEISA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@](C)(CO)CNCC(F)(F)F 88175205 572972926 /nfs/dbraw/zinc/97/29/26/572972926.db2.gz HIJVSCOQLXYVOO-SSDOTTSWSA-N 0 0 199.216 1.547 10 0 ADAERN CC[C@](C)(CO)CNc1cn[nH]c1 88175761 572972930 /nfs/dbraw/zinc/97/29/30/572972930.db2.gz JQZNWALMNCFOEW-VIFPVBQESA-N 0 0 183.255 1.230 10 0 ADAERN CCCC[C@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683817 572972941 /nfs/dbraw/zinc/97/29/41/572972941.db2.gz CGPRPXFRBZHGKF-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C(=O)[O-])[NH+]1CC(C(C)(C)C)C1 86683811 572972943 /nfs/dbraw/zinc/97/29/43/572972943.db2.gz PVPANSYBLHNSJP-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN CC(=O)[C@H](O)C(C)(C)OC(C)C 238185316 572972949 /nfs/dbraw/zinc/97/29/49/572972949.db2.gz NDWQPBGAUVGIMK-QMMMGPOBSA-N 0 0 174.240 1.140 10 0 ADAERN CCC[C@](C)(C(=O)[O-])[N@@H+]1CC[C@@H]1C 86684042 572972950 /nfs/dbraw/zinc/97/29/50/572972950.db2.gz PXPNOFWWCALTQK-WCBMZHEXSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H]1[C@@H](O)C[C@@H]1c1cncc(F)c1 88178966 572974322 /nfs/dbraw/zinc/97/43/22/572974322.db2.gz RTBAAEZQDDQLBT-UASFKTIASA-N 0 0 181.210 1.705 10 0 ADAERN CCn1cc([C@H]2C[C@@H](O)[C@@H]2C)cn1 88178915 572972963 /nfs/dbraw/zinc/97/29/63/572972963.db2.gz QCPWHBUOLCYBEP-FKTZTGRPSA-N 0 0 180.251 1.387 10 0 ADAERN CC[C@H]1[C@@H](C)C[C@@H]1O 88178247 572972972 /nfs/dbraw/zinc/97/29/72/572972972.db2.gz BMLMQOJZQCUDCL-ACZMJKKPSA-N 0 0 114.188 1.413 10 0 ADAERN CC[C@@H](NC(N)=S)c1ccccc1 51627482 572972976 /nfs/dbraw/zinc/97/29/76/572972976.db2.gz YZLIDSCGTRTGAA-SECBINFHSA-N 0 0 194.303 1.971 10 0 ADAERN CCC[C@H](C(=O)[O-])[NH+]1CC(C)C1 86683920 572972984 /nfs/dbraw/zinc/97/29/84/572972984.db2.gz ZGXZRRWQURNXQQ-MRVPVSSYSA-N 0 0 171.240 1.191 10 0 ADAERN CCC1(CC)C[NH+](CCC(=O)[O-])C1 86683086 572973003 /nfs/dbraw/zinc/97/30/03/572973003.db2.gz IXNMDGURGIVKKO-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN CCC[C@@](C)(C(=O)[O-])[NH+]1CC(CC)C1 86684034 572973027 /nfs/dbraw/zinc/97/30/27/572973027.db2.gz RWGNVEXWDJBNPR-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CCCC1C[NH+]([C@@H](CC)C(=O)[O-])C1 86683784 572973080 /nfs/dbraw/zinc/97/30/80/572973080.db2.gz DGYMFWPHMSCERJ-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN CCCC[C@@H](C(=O)[O-])[NH+]1CC(C)C1 86683830 572973103 /nfs/dbraw/zinc/97/31/03/572973103.db2.gz IOHIOKPGXJIPCF-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN CCCC(CO)(CO)[C@@H](CC)OC 238184584 572973112 /nfs/dbraw/zinc/97/31/12/572973112.db2.gz LBBJLTNBHYZESC-SECBINFHSA-N 0 0 190.283 1.183 10 0 ADAERN CCCC[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86683887 572973113 /nfs/dbraw/zinc/97/31/13/572973113.db2.gz QEGNBWCPBVEYJN-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@@H](C)[C@H](C(=O)[O-])[NH+]1CC(C)C1 86682604 572973134 /nfs/dbraw/zinc/97/31/34/572973134.db2.gz JBJLZCNIAGICAX-RKDXNWHRSA-N 0 0 185.267 1.437 10 0 ADAERN CCC1C[NH+]([C@H](CC)C(=O)[O-])C1 86683768 572973144 /nfs/dbraw/zinc/97/31/44/572973144.db2.gz WNRGFPZEDRWMBI-MRVPVSSYSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccncc1 88178262 572973167 /nfs/dbraw/zinc/97/31/67/572973167.db2.gz HSNJAMMAVGBVOX-MXWKQRLJSA-N 0 0 177.247 1.956 10 0 ADAERN COC(C)(C)C[C@@]1(C)C[C@@H]1CO 88158118 572974332 /nfs/dbraw/zinc/97/43/32/572974332.db2.gz YLAPIPICMZTRQP-PSASIEDQSA-N 0 0 172.268 1.820 10 0 ADAERN CCC1C[NH+]([C@@H](C(=O)[O-])[C@@H](C)CC)C1 86682634 572973191 /nfs/dbraw/zinc/97/31/91/572973191.db2.gz CNCGOAOSFOWFBQ-WCBMZHEXSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[NH+]1CC(C)C1 86682609 572973203 /nfs/dbraw/zinc/97/32/03/572973203.db2.gz JBJLZCNIAGICAX-DTWKUNHWSA-N 0 0 185.267 1.437 10 0 ADAERN CCC1C[NH+]([C@@H](CC(C)C)C(=O)[O-])C1 86682480 572973206 /nfs/dbraw/zinc/97/32/06/572973206.db2.gz VXWYZRXYGKNXJC-JTQLQIEISA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H](C)[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86682564 572973216 /nfs/dbraw/zinc/97/32/16/572973216.db2.gz BXKFSOQAFZNOJW-BDAKNGLRSA-N 0 0 199.294 1.828 10 0 ADAERN CCC1C[NH+]([C@@H](C(=O)[O-])[C@H](C)CC)C1 86682639 572973221 /nfs/dbraw/zinc/97/32/21/572973221.db2.gz CNCGOAOSFOWFBQ-PSASIEDQSA-N 0 0 199.294 1.828 10 0 ADAERN CCC1(CC)C[NH+](CC(=O)[O-])C1 86683027 572973235 /nfs/dbraw/zinc/97/32/35/572973235.db2.gz NIINRURHRHQMCO-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN CCC[NH+]1CCC([C@@H](C)C(=O)[O-])CC1 86717582 572973239 /nfs/dbraw/zinc/97/32/39/572973239.db2.gz VTDIHJOGJFPZKU-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@@]1(C)[C@@H](C)C[C@@H]1O 88179311 572973310 /nfs/dbraw/zinc/97/33/10/572973310.db2.gz VQHGXQJRBTVHHO-FXQIFTODSA-N 0 0 128.215 1.803 10 0 ADAERN CCC[C@H](C(=O)[O-])[NH+]1CC2(CCC2)C1 86683916 572973311 /nfs/dbraw/zinc/97/33/11/572973311.db2.gz DYWJQCDDRQGTQC-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[NH+]1CC(C)C1 86682467 572973333 /nfs/dbraw/zinc/97/33/33/572973333.db2.gz YZGLFSFBPAGZDC-SECBINFHSA-N 0 0 185.267 1.437 10 0 ADAERN CC(C)SC[C@H](C(=O)[O-])[NH+](C)C 238185274 572973334 /nfs/dbraw/zinc/97/33/34/572973334.db2.gz KQQPOOALBQIPEN-SSDOTTSWSA-N 0 0 191.296 1.143 10 0 ADAERN CCn1cc([C@H]2C[C@H](O)[C@@H]2C)cn1 88178913 572973342 /nfs/dbraw/zinc/97/33/42/572973342.db2.gz QCPWHBUOLCYBEP-JEZHCXPESA-N 0 0 180.251 1.387 10 0 ADAERN CC[C@@H](C)[C@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86682572 572973343 /nfs/dbraw/zinc/97/33/43/572973343.db2.gz BXKFSOQAFZNOJW-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN CCCC1(CCC)C[NH+](CC(=O)[O-])C1 86683025 572973345 /nfs/dbraw/zinc/97/33/45/572973345.db2.gz BLDQDWPBPFZGGW-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CCC[NH+]1CCC([C@H](C)C(=O)[O-])CC1 86717584 572973347 /nfs/dbraw/zinc/97/33/47/572973347.db2.gz VTDIHJOGJFPZKU-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN O=C([O-])CCC[NH+]1CC2(CCCC2)C1 86683157 572973353 /nfs/dbraw/zinc/97/33/53/572973353.db2.gz LYQBJOJOKQKRRZ-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86682445 572973370 /nfs/dbraw/zinc/97/33/70/572973370.db2.gz ORIAOBOLAPYHOR-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1C[C@H](O)[C@@H]1C 88178577 572973372 /nfs/dbraw/zinc/97/33/72/572973372.db2.gz FBIAJJOUKFHCRL-JKUQZMGJSA-N 0 0 100.161 1.023 10 0 ADAERN CC[C@](C)(CO)CNn1cccc1 88176898 572973384 /nfs/dbraw/zinc/97/33/84/572973384.db2.gz CIGMPWNBYOVJKV-JTQLQIEISA-N 0 0 182.267 1.440 10 0 ADAERN Cc1ccc(C)n1NCC(C)(C)CO 88175117 572973389 /nfs/dbraw/zinc/97/33/89/572973389.db2.gz XSHYLVHRAUNXKJ-UHFFFAOYSA-N 0 0 196.294 1.667 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@H]1C 88179309 572973396 /nfs/dbraw/zinc/97/33/96/572973396.db2.gz VQHGXQJRBTVHHO-CSMHCCOUSA-N 0 0 128.215 1.803 10 0 ADAERN CCC1C[NH+]([C@H](C(=O)[O-])[C@@H](C)CC)C1 86682632 572973397 /nfs/dbraw/zinc/97/33/97/572973397.db2.gz CNCGOAOSFOWFBQ-WPRPVWTQSA-N 0 0 199.294 1.828 10 0 ADAERN CCC1(CC)C[NH+](CCCC(=O)[O-])C1 86683146 572973399 /nfs/dbraw/zinc/97/33/99/572973399.db2.gz QPOPKCJJWXETSV-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86682649 572973420 /nfs/dbraw/zinc/97/34/20/572973420.db2.gz HEIWPMCTEHMISA-XHNCKOQMSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86682573 572973425 /nfs/dbraw/zinc/97/34/25/572973425.db2.gz BXKFSOQAFZNOJW-DTWKUNHWSA-N 0 0 199.294 1.828 10 0 ADAERN CCC[C@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683897 572973427 /nfs/dbraw/zinc/97/34/27/572973427.db2.gz MVRHWSFUXFAQDU-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)SCCNc1nccnn1 238184704 572973433 /nfs/dbraw/zinc/97/34/33/572973433.db2.gz OAHRZLIEPJNJES-UHFFFAOYSA-N 0 0 198.295 1.425 10 0 ADAERN CC(C)C1C[NH+]([C@H](C(=O)[O-])C(C)C)C1 86683356 572973452 /nfs/dbraw/zinc/97/34/52/572973452.db2.gz RQSJXUJPZFEMTR-JTQLQIEISA-N 0 0 199.294 1.683 10 0 ADAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cnn(CC)c1 88178502 572973454 /nfs/dbraw/zinc/97/34/54/572973454.db2.gz WXPDRWLIVDXEHE-MXWKQRLJSA-N 0 0 194.278 1.777 10 0 ADAERN CC(C)C1C[NH+](CCCC(=O)[O-])C1 86683175 572973477 /nfs/dbraw/zinc/97/34/77/572973477.db2.gz OZIGEAQEYYPICB-UHFFFAOYSA-N 0 0 185.267 1.439 10 0 ADAERN CCCS(=O)(=O)C[C@H](C)CC 116892794 572973479 /nfs/dbraw/zinc/97/34/79/572973479.db2.gz DLJSDEWIIRFEQL-MRVPVSSYSA-N 0 0 178.297 1.857 10 0 ADAERN C[C@H]1CC[N@@H+]1CCCCCC(=O)[O-] 86683273 572973485 /nfs/dbraw/zinc/97/34/85/572973485.db2.gz BEJTULTYZVAUIL-VIFPVBQESA-N 0 0 185.267 1.726 10 0 ADAERN CC(C)C1C[NH+](CCC(=O)[O-])C1 86683127 572973489 /nfs/dbraw/zinc/97/34/89/572973489.db2.gz OMNSRXSWIITVHI-UHFFFAOYSA-N 0 0 171.240 1.049 10 0 ADAERN CC[C@H](NC(N)=S)c1ccccc1 51627480 572973527 /nfs/dbraw/zinc/97/35/27/572973527.db2.gz YZLIDSCGTRTGAA-VIFPVBQESA-N 0 0 194.303 1.971 10 0 ADAERN CCC1C[NH+]([C@@H](C(=O)[O-])C(C)C)C1 86683334 572973534 /nfs/dbraw/zinc/97/35/34/572973534.db2.gz XGMXCBOGVYPPCI-SECBINFHSA-N 0 0 185.267 1.437 10 0 ADAERN CC[C@H]1[C@@H](O)C[C@@H]1c1ccccn1 88178410 572973537 /nfs/dbraw/zinc/97/35/37/572973537.db2.gz JEFBWEJECGQYOL-YWVKMMECSA-N 0 0 177.247 1.956 10 0 ADAERN CC[C@@H](C)[C@@H](C(=O)[O-])[NH+]1CC(C)C1 86682600 572973561 /nfs/dbraw/zinc/97/35/61/572973561.db2.gz JBJLZCNIAGICAX-BDAKNGLRSA-N 0 0 185.267 1.437 10 0 ADAERN O=C([O-])CCCCC[NH+]1CC2(CC2)C1 86683285 572973571 /nfs/dbraw/zinc/97/35/71/572973571.db2.gz WVAIOFXPYJFDBU-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN CCCC1C[NH+]([C@@H](C)CC(=O)[O-])C1 86683672 572973601 /nfs/dbraw/zinc/97/36/01/572973601.db2.gz GXBRJLQJYGAJCU-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 86683933 572973628 /nfs/dbraw/zinc/97/36/28/572973628.db2.gz NIHJVRGOZOVRMH-JGVFFNPUSA-N 0 0 171.240 1.334 10 0 ADAERN CCCC(CO)(CO)[C@H](CC)OC 238184617 572973630 /nfs/dbraw/zinc/97/36/30/572973630.db2.gz LBBJLTNBHYZESC-VIFPVBQESA-N 0 0 190.283 1.183 10 0 ADAERN CC[C@](C)(CO)CNc1ccn(C)n1 88175935 572973652 /nfs/dbraw/zinc/97/36/52/572973652.db2.gz VPBFVBSRGSDWRZ-JTQLQIEISA-N 0 0 197.282 1.241 10 0 ADAERN CCCC1C[NH+]([C@H](CC)C(=O)[O-])C1 86683787 572973693 /nfs/dbraw/zinc/97/36/93/572973693.db2.gz DGYMFWPHMSCERJ-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H](CC1CC1)[NH2+][C@@H]1CC[C@H]1C(=O)[O-] 300007827 572973703 /nfs/dbraw/zinc/97/37/03/572973703.db2.gz GRXRYAVSOZBXOM-SZEHBUNVSA-N 0 0 197.278 1.628 10 0 ADAERN CCC1(CC)C[NH+]([C@H](C)CC(=O)[O-])C1 86683630 572973713 /nfs/dbraw/zinc/97/37/13/572973713.db2.gz NOURWGYJDFGJDU-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](C)N(C)[S@](C)(=N)=O 404822406 572973715 /nfs/dbraw/zinc/97/37/15/572973715.db2.gz FAXARNNZVUDDEP-LDWIPMOCSA-N 0 0 164.274 1.308 10 0 ADAERN CCC[C@](C)(C(=O)[O-])[NH+]1CC(CC)C1 86684037 572973733 /nfs/dbraw/zinc/97/37/33/572973733.db2.gz RWGNVEXWDJBNPR-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CC[N@@H+]1CCCCCC(=O)[O-] 86683271 572973739 /nfs/dbraw/zinc/97/37/39/572973739.db2.gz BEJTULTYZVAUIL-SECBINFHSA-N 0 0 185.267 1.726 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86682511 572973754 /nfs/dbraw/zinc/97/37/54/572973754.db2.gz SRHAXLNYXKYSPC-SECBINFHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H]1C 86682487 572973761 /nfs/dbraw/zinc/97/37/61/572973761.db2.gz JLXZNICFZZTCNT-BDAKNGLRSA-N 0 0 185.267 1.580 10 0 ADAERN CCCC1C[NH+]([C@H](C)CC(=O)[O-])C1 86683675 572973767 /nfs/dbraw/zinc/97/37/67/572973767.db2.gz GXBRJLQJYGAJCU-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CCCC[C@@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86683883 572973771 /nfs/dbraw/zinc/97/37/71/572973771.db2.gz QEGNBWCPBVEYJN-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CCC[C@@H](C(=O)[O-])[NH+]1CC2(CCC2)C1 86683912 572973794 /nfs/dbraw/zinc/97/37/94/572973794.db2.gz DYWJQCDDRQGTQC-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CCC1C[NH+]([C@H](C)CC(=O)[O-])C1 86683660 572973795 /nfs/dbraw/zinc/97/37/95/572973795.db2.gz KYBKTMPSVNASQJ-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN CCC1C[NH+]([C@H](C(=O)[O-])C(C)C)C1 86683331 572973796 /nfs/dbraw/zinc/97/37/96/572973796.db2.gz XGMXCBOGVYPPCI-VIFPVBQESA-N 0 0 185.267 1.437 10 0 ADAERN CCC[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86683956 572973804 /nfs/dbraw/zinc/97/38/04/572973804.db2.gz WVRRVXFQJQCAJS-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN CC1(C)C[NH+](CCCCCC(=O)[O-])C1 86683253 572973811 /nfs/dbraw/zinc/97/38/11/572973811.db2.gz JKCVGFBOMMFBGS-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC1(C)C[NH+](CCCC(=O)[O-])C1 86683137 572973856 /nfs/dbraw/zinc/97/38/56/572973856.db2.gz MGRWQCUBXMMCHX-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN CC(C)C1C[NH+]([C@@H](C)CC(=O)[O-])C1 86683683 572973861 /nfs/dbraw/zinc/97/38/61/572973861.db2.gz AGYWMWSRBFLCEE-QMMMGPOBSA-N 0 0 185.267 1.437 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86682509 572973871 /nfs/dbraw/zinc/97/38/71/572973871.db2.gz SRHAXLNYXKYSPC-VIFPVBQESA-N 0 0 197.278 1.582 10 0 ADAERN CCC[C@@H](C(=O)[O-])[NH+]1CC(C)C1 86683917 572973878 /nfs/dbraw/zinc/97/38/78/572973878.db2.gz ZGXZRRWQURNXQQ-QMMMGPOBSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CC[C@@]2(C1)C[C@@H]2CO 88158247 572973882 /nfs/dbraw/zinc/97/38/82/572973882.db2.gz BMZKTJFPRKDPSI-DJLDLDEBSA-N 0 0 140.226 1.805 10 0 ADAERN CCCC1C[NH+]([C@H](C(=O)[O-])C(C)C)C1 86683350 572973889 /nfs/dbraw/zinc/97/38/89/572973889.db2.gz BBFUJGCFTCXBCK-JTQLQIEISA-N 0 0 199.294 1.828 10 0 ADAERN CC(C)OC1=NO[C@@](C)(CCO)C1 238186634 572973890 /nfs/dbraw/zinc/97/38/90/572973890.db2.gz LPLPFVVWWKUKGU-VIFPVBQESA-N 0 0 187.239 1.286 10 0 ADAERN Cc1cnccc1-c1nccc(N)n1 59510363 572973901 /nfs/dbraw/zinc/97/39/01/572973901.db2.gz CRVQOVRFQOPXPG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cc(N)ccc1NCC[C@H](C)O 59538853 572974359 /nfs/dbraw/zinc/97/43/59/572974359.db2.gz WOJDJXRWFZUJOW-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CCC[C@](C)(C(=O)[O-])[NH+]1CC(C)(C)C1 86684012 572973913 /nfs/dbraw/zinc/97/39/13/572973913.db2.gz VFEADPXIJFPBNE-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN CCCC1C[NH+]([C@H](C)C(=O)[O-])C1 86683444 572973918 /nfs/dbraw/zinc/97/39/18/572973918.db2.gz NMBLAABEUZTYKR-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN OC[C@H]1C[C@H]1[C@@H]1CCCOC1 88159028 572973926 /nfs/dbraw/zinc/97/39/26/572973926.db2.gz ZSHCHABMIAAXAI-HLTSFMKQSA-N 0 0 156.225 1.041 10 0 ADAERN CCCC[C@H](C(=O)[O-])[NH+]1CC(C)C1 86683833 572973929 /nfs/dbraw/zinc/97/39/29/572973929.db2.gz IOHIOKPGXJIPCF-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN CCCn1cncc1[C@H]1C[C@@H]1CO 88158331 572973936 /nfs/dbraw/zinc/97/39/36/572973936.db2.gz QBFGOSAJOWFWCQ-BDAKNGLRSA-N 0 0 180.251 1.389 10 0 ADAERN CC[C@@H](C(=O)[O-])[NH+]1CC(C(C)C)C1 86683798 572973947 /nfs/dbraw/zinc/97/39/47/572973947.db2.gz WAAURIMIDQMTQZ-VIFPVBQESA-N 0 0 185.267 1.437 10 0 ADAERN CCC1(CC)C[NH+]([C@@H](C)C(=O)[O-])C1 86683394 572973954 /nfs/dbraw/zinc/97/39/54/572973954.db2.gz ABUBMCCXYMQFRS-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CCC1C[NH+]([C@H](CC(C)C)C(=O)[O-])C1 86682483 572973962 /nfs/dbraw/zinc/97/39/62/572973962.db2.gz VXWYZRXYGKNXJC-SNVBAGLBSA-N 0 0 199.294 1.828 10 0 ADAERN CCCC1C[NH+]([C@@H](CCC)C(=O)[O-])C1 86683945 572973968 /nfs/dbraw/zinc/97/39/68/572973968.db2.gz WYJBYPDLOISKBO-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN CCCC1C[NH+](CCC(=O)[O-])C1 86683122 572973973 /nfs/dbraw/zinc/97/39/73/572973973.db2.gz PZFWRUKAPGJRMO-UHFFFAOYSA-N 0 0 171.240 1.193 10 0 ADAERN CC[C@H](C(=O)[O-])[NH+]1CC(C(C)C)C1 86683800 572973984 /nfs/dbraw/zinc/97/39/84/572973984.db2.gz WAAURIMIDQMTQZ-SECBINFHSA-N 0 0 185.267 1.437 10 0 ADAERN COc1cc(N)c2c(c1)C[C@@H](C)N2 713808090 572974048 /nfs/dbraw/zinc/97/40/48/572974048.db2.gz QQLOHPNOTABRPQ-ZCFIWIBFSA-N 0 0 178.235 1.634 10 0 ADAERN C[C@H]1SCCC[C@]12C[C@@H]2CO 88158324 572974059 /nfs/dbraw/zinc/97/40/59/572974059.db2.gz BCOUMUPVHJHHHQ-HLTSFMKQSA-N 0 0 172.293 1.901 10 0 ADAERN CCC[C@H]1C[C@]2(CCO1)C[C@@H]2CO 88158836 572974061 /nfs/dbraw/zinc/97/40/61/572974061.db2.gz NKSIDJPFDMXZNO-VWYCJHECSA-N 0 0 184.279 1.964 10 0 ADAERN CCCn1cncc1[C@@H]1C[C@@H]1CO 88158330 572974089 /nfs/dbraw/zinc/97/40/89/572974089.db2.gz QBFGOSAJOWFWCQ-RKDXNWHRSA-N 0 0 180.251 1.389 10 0 ADAERN c1ccc2c(Cn3cnnc3)c[nH]c2c1 59502040 572974126 /nfs/dbraw/zinc/97/41/26/572974126.db2.gz ZILIDSQXTGUZOO-UHFFFAOYSA-N 0 0 198.229 1.808 10 0 ADAERN CC(C)[C@H]1C[C@]2(CCO1)C[C@@H]2CO 88158177 572974128 /nfs/dbraw/zinc/97/41/28/572974128.db2.gz HGEHJSIERYYPGL-MXWKQRLJSA-N 0 0 184.279 1.820 10 0 ADAERN COCc1ccc([C@H]2C[C@H]2CO)cc1 88158616 572974136 /nfs/dbraw/zinc/97/41/36/572974136.db2.gz AWEHBBUSJKNCLL-NWDGAFQWSA-N 0 0 192.258 1.929 10 0 ADAERN COCc1ccccc1[C@H]1C[C@@H]1CO 88158862 572974146 /nfs/dbraw/zinc/97/41/46/572974146.db2.gz XEBHHFXTYWZJDJ-PWSUYJOCSA-N 0 0 192.258 1.929 10 0 ADAERN COC(C)(C)C[C@]1(C)C[C@H]1CO 88158121 572974161 /nfs/dbraw/zinc/97/41/61/572974161.db2.gz YLAPIPICMZTRQP-WPRPVWTQSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H]1CCC[C@@]12C[C@@H]2CO 88158560 572974169 /nfs/dbraw/zinc/97/41/69/572974169.db2.gz FASDIDNEIAXTRX-DJLDLDEBSA-N 0 0 140.226 1.805 10 0 ADAERN CC(C)(C)OC(=O)CNn1cccc1 59512472 572974192 /nfs/dbraw/zinc/97/41/92/572974192.db2.gz MKPOFOXVUQTRCH-UHFFFAOYSA-N 0 0 196.250 1.373 10 0 ADAERN C[C@H]1C[C@@]2(CS1)C[C@@H]2CO 88159177 572974198 /nfs/dbraw/zinc/97/41/98/572974198.db2.gz BCAOKUNDRLQYFV-RNJXMRFFSA-N 0 0 158.266 1.510 10 0 ADAERN CCCn1cncc1[C@H]1C[C@H]1CO 88158333 572974205 /nfs/dbraw/zinc/97/42/05/572974205.db2.gz QBFGOSAJOWFWCQ-IUCAKERBSA-N 0 0 180.251 1.389 10 0 ADAERN CCC(CC)[C@@H](O)[C@@H](C)CO 238187078 572974222 /nfs/dbraw/zinc/97/42/22/572974222.db2.gz OERSDUKBRLSEPJ-CBAPKCEASA-N 0 0 160.257 1.412 10 0 ADAERN CCCn1cncc1[C@@H]1C[C@H]1CO 88158332 572974257 /nfs/dbraw/zinc/97/42/57/572974257.db2.gz QBFGOSAJOWFWCQ-DTWKUNHWSA-N 0 0 180.251 1.389 10 0 ADAERN COCc1cccc([C@H]2C[C@H]2CO)c1 88159161 572974289 /nfs/dbraw/zinc/97/42/89/572974289.db2.gz LCRXUMKVQSLSCG-NWDGAFQWSA-N 0 0 192.258 1.929 10 0 ADAERN COCc1ccc([C@H]2C[C@@H]2CO)cc1 88158614 572974485 /nfs/dbraw/zinc/97/44/85/572974485.db2.gz AWEHBBUSJKNCLL-VXGBXAGGSA-N 0 0 192.258 1.929 10 0 ADAERN COCc1cccc([C@@H]2C[C@@H]2CO)c1 88159158 572974492 /nfs/dbraw/zinc/97/44/92/572974492.db2.gz LCRXUMKVQSLSCG-NEPJUHHUSA-N 0 0 192.258 1.929 10 0 ADAERN C[C@H]1Cc2cc(F)cc(O)c2N1 713809546 572974505 /nfs/dbraw/zinc/97/45/05/572974505.db2.gz ZTCZORFSFPGTAA-YFKPBYRVSA-N 0 0 167.183 1.888 10 0 ADAERN CC[C@@H](C)[C@H]1C[C@@H]1CO 88158569 572974522 /nfs/dbraw/zinc/97/45/22/572974522.db2.gz KTQHXQPGBYBISW-BWZBUEFSSA-N 0 0 128.215 1.661 10 0 ADAERN COCc1ccc([C@@H]2C[C@H]2CO)cc1 88158615 572974579 /nfs/dbraw/zinc/97/45/79/572974579.db2.gz AWEHBBUSJKNCLL-RYUDHWBXSA-N 0 0 192.258 1.929 10 0 ADAERN O/N=c1\ssc2c1CCC2 59520040 572974587 /nfs/dbraw/zinc/97/45/87/572974587.db2.gz MSSBBXAJFYHGFW-SREVYHEPSA-N 0 0 173.262 1.588 10 0 ADAERN CC[C@@]1(C)C[C@]2(CCO1)C[C@@H]2CO 88158309 572974597 /nfs/dbraw/zinc/97/45/97/572974597.db2.gz XADAMQGMJXXEKP-VWYCJHECSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)C(=O)C=C(O)CC[C@@H](C)O 238188376 572974626 /nfs/dbraw/zinc/97/46/26/572974626.db2.gz GPHQHYSUKCDTPX-MRVPVSSYSA-N 0 0 186.251 1.332 10 0 ADAERN COC(C)(C)C[C@H]1C[C@@H](O)CCO1 234655258 572974656 /nfs/dbraw/zinc/97/46/56/572974656.db2.gz RSZSJYNIIOIMBV-DTWKUNHWSA-N 0 0 188.267 1.341 10 0 ADAERN COC(C)(C)C[C@]1(C)C[C@@H]1CO 88158119 572974688 /nfs/dbraw/zinc/97/46/88/572974688.db2.gz YLAPIPICMZTRQP-SCZZXKLOSA-N 0 0 172.268 1.820 10 0 ADAERN CCC(CC)[C@@H](CO)CCCO 238185575 572974706 /nfs/dbraw/zinc/97/47/06/572974706.db2.gz FMUBRNGNBFJGNF-SNVBAGLBSA-N 0 0 174.284 1.804 10 0 ADAERN CCC(C)(C)OC(=O)NCCOC 238186460 572974728 /nfs/dbraw/zinc/97/47/28/572974728.db2.gz PFHDILWYRIHICO-UHFFFAOYSA-N 0 0 189.255 1.548 10 0 ADAERN Cc1cc(N)ccc1NCC[C@@H](C)O 59538850 572974759 /nfs/dbraw/zinc/97/47/59/572974759.db2.gz WOJDJXRWFZUJOW-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN OC[C@H]1C[C@@H]1[C@@H]1CCCOC1 88159030 572974959 /nfs/dbraw/zinc/97/49/59/572974959.db2.gz ZSHCHABMIAAXAI-IWSPIJDZSA-N 0 0 156.225 1.041 10 0 ADAERN CCC[C@H]1C[C@@]2(CCO1)C[C@@H]2CO 88158834 572974997 /nfs/dbraw/zinc/97/49/97/572974997.db2.gz NKSIDJPFDMXZNO-OUAUKWLOSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)C[C@H](C[C@@H](C)O)N(C)N=O 238186988 572974969 /nfs/dbraw/zinc/97/49/69/572974969.db2.gz WBYSMFKOXIWKTQ-RKDXNWHRSA-N 0 0 188.271 1.785 10 0 ADAERN C[C@H]1C[C@]2(CS1)C[C@@H]2CO 88159175 572974975 /nfs/dbraw/zinc/97/49/75/572974975.db2.gz BCAOKUNDRLQYFV-XLPZGREQSA-N 0 0 158.266 1.510 10 0 ADAERN CC(=O)CCC(=O)COC(C)C 238186975 572975040 /nfs/dbraw/zinc/97/50/40/572975040.db2.gz DNAKDBSKXDDXAH-UHFFFAOYSA-N 0 0 172.224 1.350 10 0 ADAERN COC(C)(C)C[C@@]1(C)C[C@H]1CO 88158120 572975052 /nfs/dbraw/zinc/97/50/52/572975052.db2.gz YLAPIPICMZTRQP-WCBMZHEXSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)C(=O)C(C)(C)CCC(N)=O 238186950 572975097 /nfs/dbraw/zinc/97/50/97/572975097.db2.gz LTTJKJKUFPRHJK-UHFFFAOYSA-N 0 0 185.267 1.503 10 0 ADAERN CCc1ccc(CCCCO)nc1 86738462 572975608 /nfs/dbraw/zinc/97/56/08/572975608.db2.gz BFIYPGADGHSENH-UHFFFAOYSA-N 0 0 179.263 1.959 10 0 ADAERN CCCC(O)(CCC)C(=O)NC 238186872 572975164 /nfs/dbraw/zinc/97/51/64/572975164.db2.gz SUOXAIKMHLJNDN-UHFFFAOYSA-N 0 0 173.256 1.064 10 0 ADAERN COCc1ccccc1[C@@H]1C[C@@H]1CO 88158861 572975186 /nfs/dbraw/zinc/97/51/86/572975186.db2.gz XEBHHFXTYWZJDJ-ZYHUDNBSSA-N 0 0 192.258 1.929 10 0 ADAERN CCON[C@H](C)CC 59559268 572975475 /nfs/dbraw/zinc/97/54/75/572975475.db2.gz PVLLDRQGEPEGNA-ZCFIWIBFSA-N 0 0 117.192 1.326 10 0 ADAERN CCC(CC)[C@@H](O)[C@H](C)CO 238187216 572975480 /nfs/dbraw/zinc/97/54/80/572975480.db2.gz OERSDUKBRLSEPJ-APPZFPTMSA-N 0 0 160.257 1.412 10 0 ADAERN CCCC(O)(CCC)C[C@H](O)CO 238187129 572975496 /nfs/dbraw/zinc/97/54/96/572975496.db2.gz LAGRHRPUTYQDKV-VIFPVBQESA-N 0 0 190.283 1.061 10 0 ADAERN CCCCC[C@@H](O)Cc1nccn1C 86750167 572976299 /nfs/dbraw/zinc/97/62/99/572976299.db2.gz RBHVESCWHYUMMV-SNVBAGLBSA-N 0 0 196.294 1.904 10 0 ADAERN CC[C@@H](C)/C=C/[N+](=O)[O-] 51690638 572975585 /nfs/dbraw/zinc/97/55/85/572975585.db2.gz SVKXRPHOMPPUME-BMMSZFGTSA-N 0 0 129.159 1.823 10 0 ADAERN CCC(CC)[C@@H]1CC1(CO)CO 238187500 572975587 /nfs/dbraw/zinc/97/55/87/572975587.db2.gz RJHVDZQLFFSJMB-VIFPVBQESA-N 0 0 172.268 1.414 10 0 ADAERN CCC(CC)[C@@](C)([NH3+])CC(=O)[O-] 238188051 572975595 /nfs/dbraw/zinc/97/55/95/572975595.db2.gz FMQDCUYIRCXBEC-VIFPVBQESA-N 0 0 173.256 1.615 10 0 ADAERN CCCC(O)(CCC)C[C@@H](O)CO 238187100 572975774 /nfs/dbraw/zinc/97/57/74/572975774.db2.gz LAGRHRPUTYQDKV-SECBINFHSA-N 0 0 190.283 1.061 10 0 ADAERN CCC(C)(C)OC/C=C/CO 238187306 572975806 /nfs/dbraw/zinc/97/58/06/572975806.db2.gz PKMJTNJALLIVFI-AATRIKPKSA-N 0 0 158.241 1.740 10 0 ADAERN CCCn1ccnc1C[C@@H](O)CC 86750103 572975816 /nfs/dbraw/zinc/97/58/16/572975816.db2.gz QSQIMRWFKBJGRG-VIFPVBQESA-N 0 0 182.267 1.607 10 0 ADAERN CCn1ccnc1C[C@H](O)CC(C)C 86750068 572975821 /nfs/dbraw/zinc/97/58/21/572975821.db2.gz JWHIWQDIBOWKKG-SNVBAGLBSA-N 0 0 196.294 1.853 10 0 ADAERN CCCn1ccnc1C[C@@H](O)C1CC1 86750001 572975826 /nfs/dbraw/zinc/97/58/26/572975826.db2.gz BTWBFEYKQKZYHH-SNVBAGLBSA-N 0 0 194.278 1.607 10 0 ADAERN CC(C)C[C@@H](O)Cc1nccn1C 86750065 572975835 /nfs/dbraw/zinc/97/58/35/572975835.db2.gz QVFDEQLDWYSUFJ-SECBINFHSA-N 0 0 182.267 1.370 10 0 ADAERN Nc1nccnc1-c1ccccc1F 84026530 572976948 /nfs/dbraw/zinc/97/69/48/572976948.db2.gz CPFSDSWSKRYTDO-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN COc1ccc2c(c1)[C@H]1C[C@H](O)[C@@H]1C2 88183722 572975872 /nfs/dbraw/zinc/97/58/72/572975872.db2.gz KQHFZVLBCRHTLD-UTUOFQBUSA-N 0 0 190.242 1.716 10 0 ADAERN O[C@H]1C[C@H]2c3ccccc3C[C@H]12 88183708 572975887 /nfs/dbraw/zinc/97/58/87/572975887.db2.gz IXKVGPFBRGUDDW-DCAQKATOSA-N 0 0 160.216 1.707 10 0 ADAERN CCC(O)(CC)Cc1nccn1C 86749561 572975888 /nfs/dbraw/zinc/97/58/88/572975888.db2.gz XWAQFPFLDRVTDL-UHFFFAOYSA-N 0 0 182.267 1.514 10 0 ADAERN CCn1ccnc1C[C@@H](C)C(=O)OC 86749172 572975895 /nfs/dbraw/zinc/97/58/95/572975895.db2.gz JPKVLFFKKQUWRS-MRVPVSSYSA-N 0 0 196.250 1.255 10 0 ADAERN CCn1ccnc1C[C@@](C)(O)C1CC1 86749584 572975920 /nfs/dbraw/zinc/97/59/20/572975920.db2.gz QLKZWUAAMOONTK-LLVKDONJSA-N 0 0 194.278 1.607 10 0 ADAERN CCCn1ccnc1CC(C)(C)O 86749546 572976954 /nfs/dbraw/zinc/97/69/54/572976954.db2.gz IQJZMACSZFZBJZ-UHFFFAOYSA-N 0 0 182.267 1.607 10 0 ADAERN CCCC(O)(/C=C/CO)CCC 238187372 572975985 /nfs/dbraw/zinc/97/59/85/572975985.db2.gz QGZIDLCPSZFJQG-VMPITWQZSA-N 0 0 172.268 1.866 10 0 ADAERN CCc1cc(=O)[nH]c([C@H](C)CC)n1 51690365 572976002 /nfs/dbraw/zinc/97/60/02/572976002.db2.gz BKMKXQUSYGYRRX-SSDOTTSWSA-N 0 0 180.251 1.846 10 0 ADAERN CC[C@@H](C)[C@@H](O)Cc1nccn1C 86749971 572976007 /nfs/dbraw/zinc/97/60/07/572976007.db2.gz AOJDCIOUGAKKKX-BDAKNGLRSA-N 0 0 182.267 1.370 10 0 ADAERN CCC[C@@H](C)[C@@H](O)Cc1nccn1C 86750141 572976020 /nfs/dbraw/zinc/97/60/20/572976020.db2.gz KURMTWXQFDEMPV-ZJUUUORDSA-N 0 0 196.294 1.760 10 0 ADAERN CCC[C@H](C)[C@@H](O)Cc1nccn1C 86750143 572976040 /nfs/dbraw/zinc/97/60/40/572976040.db2.gz KURMTWXQFDEMPV-UWVGGRQHSA-N 0 0 196.294 1.760 10 0 ADAERN CC[C@H](C)[C@](C)(O)Cc1nccn1C 86749597 572976070 /nfs/dbraw/zinc/97/60/70/572976070.db2.gz ZTLOMIZVGGCVHW-GXSJLCMTSA-N 0 0 196.294 1.760 10 0 ADAERN CCc1ccc(CC(=O)COC)nc1 86735851 572976080 /nfs/dbraw/zinc/97/60/80/572976080.db2.gz UGJBJDRFYZDJMZ-UHFFFAOYSA-N 0 0 193.246 1.402 10 0 ADAERN CCc1ccc(C[C@@H](O)CC)nc1 86735251 572976103 /nfs/dbraw/zinc/97/61/03/572976103.db2.gz LOOJGIHIFALFJN-NSHDSACASA-N 0 0 179.263 1.957 10 0 ADAERN O[C@H]1C[C@@H]2c3ccccc3C[C@H]12 88183704 572976121 /nfs/dbraw/zinc/97/61/21/572976121.db2.gz IXKVGPFBRGUDDW-VWYCJHECSA-N 0 0 160.216 1.707 10 0 ADAERN CCC[C@@H](O)Cc1nccn1CCC 86750061 572976122 /nfs/dbraw/zinc/97/61/22/572976122.db2.gz FMFGAUGPQFGTEQ-SNVBAGLBSA-N 0 0 196.294 1.997 10 0 ADAERN CCn1ccnc1C[C@@H](O)CC(C)C 86750069 572976152 /nfs/dbraw/zinc/97/61/52/572976152.db2.gz JWHIWQDIBOWKKG-JTQLQIEISA-N 0 0 196.294 1.853 10 0 ADAERN CC1(C)[C@@H](O)[C@@H]2CCC[C@H]21 88184155 572976154 /nfs/dbraw/zinc/97/61/54/572976154.db2.gz HMZSJFGIRVMPSB-PRJMDXOYSA-N 0 0 140.226 1.803 10 0 ADAERN CCn1ccnc1C[C@@](C)(O)C(C)C 86749573 572976159 /nfs/dbraw/zinc/97/61/59/572976159.db2.gz HTNOASVAIRIZQK-LLVKDONJSA-N 0 0 196.294 1.853 10 0 ADAERN C[Si](C)(C)CF 196032804 572976169 /nfs/dbraw/zinc/97/61/69/572976169.db2.gz JFYOSQHKLFCHSF-UHFFFAOYSA-N 0 0 106.216 1.833 10 0 ADAERN COCCOc1ccc(NC=O)cc1 88190303 572976170 /nfs/dbraw/zinc/97/61/70/572976170.db2.gz ANAWZTRMANUHKY-UHFFFAOYSA-N 0 0 195.218 1.280 10 0 ADAERN CC[C@@](O)(Cc1nccn1C)C(C)C 86749617 572976171 /nfs/dbraw/zinc/97/61/71/572976171.db2.gz CYTKZCFBGBLKIB-LLVKDONJSA-N 0 0 196.294 1.760 10 0 ADAERN CC[C@@](O)(Cc1nccn1C)C1CC1 86750358 572976174 /nfs/dbraw/zinc/97/61/74/572976174.db2.gz PNGIWEAWLRKHON-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN CC1(C)[C@@H](O)[C@H]2CCC[C@H]21 88184150 572976182 /nfs/dbraw/zinc/97/61/82/572976182.db2.gz HMZSJFGIRVMPSB-RNJXMRFFSA-N 0 0 140.226 1.803 10 0 ADAERN CC(C)C[C@H](C[C@H](C)O)N(C)N=O 238187193 572976190 /nfs/dbraw/zinc/97/61/90/572976190.db2.gz WBYSMFKOXIWKTQ-DTWKUNHWSA-N 0 0 188.271 1.785 10 0 ADAERN CCCC[C@H](O)Cc1nccn1CC 86750109 572976199 /nfs/dbraw/zinc/97/61/99/572976199.db2.gz MDTVCBAWWKDYME-JTQLQIEISA-N 0 0 196.294 1.997 10 0 ADAERN CCCC[C@@H](O)Cc1nccn1C 86750108 572976224 /nfs/dbraw/zinc/97/62/24/572976224.db2.gz NUXQYIVPSJEXGN-SECBINFHSA-N 0 0 182.267 1.514 10 0 ADAERN CC[C@](O)(Cc1nccn1C)C(C)C 86749619 572976233 /nfs/dbraw/zinc/97/62/33/572976233.db2.gz CYTKZCFBGBLKIB-NSHDSACASA-N 0 0 196.294 1.760 10 0 ADAERN C/C=C/C(=O)N(C)CC(F)(F)F 86740700 572976251 /nfs/dbraw/zinc/97/62/51/572976251.db2.gz FIKKLAWRZBYVIS-ONEGZZNKSA-N 0 0 181.157 1.583 10 0 ADAERN CCC(CC)[C@@]1(CC)NC(=O)NC1=O 238188118 572976282 /nfs/dbraw/zinc/97/62/82/572976282.db2.gz LQLSYALQXFDYLK-SNVBAGLBSA-N 0 0 198.266 1.411 10 0 ADAERN CCn1ccnc1C[C@H](C)C(=O)OC 86749174 572976287 /nfs/dbraw/zinc/97/62/87/572976287.db2.gz JPKVLFFKKQUWRS-QMMMGPOBSA-N 0 0 196.250 1.255 10 0 ADAERN CCCn1ccnc1C[C@H](O)C(C)C 86749867 572976330 /nfs/dbraw/zinc/97/63/30/572976330.db2.gz CXLFFQAWJGEUBF-JTQLQIEISA-N 0 0 196.294 1.853 10 0 ADAERN Cc1nc([C@H]2CCOC2)nc(N)c1C 51691705 572976358 /nfs/dbraw/zinc/97/63/58/572976358.db2.gz NQCJSHHEHAEKSG-QMMMGPOBSA-N 0 0 193.250 1.180 10 0 ADAERN CC(C)OCC(CO)(CO)C(C)C 238187250 572976363 /nfs/dbraw/zinc/97/63/63/572976363.db2.gz FJBWYDSKWANKOZ-UHFFFAOYSA-N 0 0 190.283 1.038 10 0 ADAERN N#C[C@@H]1C[C@H]2CCC[C@H]2N1 59561326 572976408 /nfs/dbraw/zinc/97/64/08/572976408.db2.gz ZYWCCQZJLJTZIP-GJMOJQLCSA-N 0 0 136.198 1.041 10 0 ADAERN C/C=C/CC[C@@H](O)COC 51697044 572976980 /nfs/dbraw/zinc/97/69/80/572976980.db2.gz KBJVIMKYJBRUEF-MPJRPATESA-N 0 0 144.214 1.350 10 0 ADAERN CCON[C@@H](C)CC 59559269 572976428 /nfs/dbraw/zinc/97/64/28/572976428.db2.gz PVLLDRQGEPEGNA-LURJTMIESA-N 0 0 117.192 1.326 10 0 ADAERN CCCn1ccnc1C[C@H](C)O 86750100 572976666 /nfs/dbraw/zinc/97/66/66/572976666.db2.gz PGCYOENHIMRIDJ-QMMMGPOBSA-N 0 0 168.240 1.216 10 0 ADAERN CCC[C@H](O)Cc1nccn1CCC 86750059 572976479 /nfs/dbraw/zinc/97/64/79/572976479.db2.gz FMFGAUGPQFGTEQ-JTQLQIEISA-N 0 0 196.294 1.997 10 0 ADAERN CC[C@H](Cc1nccn1C)C(=O)OC 86749138 572976489 /nfs/dbraw/zinc/97/64/89/572976489.db2.gz UPJLQHULRNYHMD-MRVPVSSYSA-N 0 0 196.250 1.162 10 0 ADAERN CCC(CC)[C@@H](O)Cc1nccn1C 86749907 572976493 /nfs/dbraw/zinc/97/64/93/572976493.db2.gz SDUYPDWPIUPBHY-JTQLQIEISA-N 0 0 196.294 1.760 10 0 ADAERN C[C@H](C[NH2+][C@H]1CC[C@H]1C(=O)[O-])C1CC1 300009277 572976502 /nfs/dbraw/zinc/97/65/02/572976502.db2.gz NKWXGXPJCHGUMN-QNSHHTMESA-N 0 0 197.278 1.485 10 0 ADAERN CCOC(=O)CCCc1nccn1C 86749170 572976532 /nfs/dbraw/zinc/97/65/32/572976532.db2.gz HDMMTCGBMDZFCY-UHFFFAOYSA-N 0 0 196.250 1.306 10 0 ADAERN CC[C@H](C)c1nc2c(c(=O)[nH]1)CCC2 51690389 572976552 /nfs/dbraw/zinc/97/65/52/572976552.db2.gz ZAASCGFXFRZRHM-ZETCQYMHSA-N 0 0 192.262 1.772 10 0 ADAERN C[C@H]1C(=O)[C@H]2CCC[C@@H]21 88183128 572976595 /nfs/dbraw/zinc/97/65/95/572976595.db2.gz NVHFIURKJYRESS-QYNIQEEDSA-N 0 0 124.183 1.622 10 0 ADAERN C/C=C/C(=O)N(CC)CC(F)(F)F 86740677 572976598 /nfs/dbraw/zinc/97/65/98/572976598.db2.gz BHKRVFWNJIJXQV-HWKANZROSA-N 0 0 195.184 1.973 10 0 ADAERN CC[C@@H](C)[C@H](O)Cc1nccn1CC 86749976 572976622 /nfs/dbraw/zinc/97/66/22/572976622.db2.gz ODZDAZXIEQZHLY-NXEZZACHSA-N 0 0 196.294 1.853 10 0 ADAERN CCCCC[C@H](O)Cc1nccn1C 86750165 572976640 /nfs/dbraw/zinc/97/66/40/572976640.db2.gz RBHVESCWHYUMMV-JTQLQIEISA-N 0 0 196.294 1.904 10 0 ADAERN CCCC[C@@H](O)Cc1nccn1CC 86750112 572976645 /nfs/dbraw/zinc/97/66/45/572976645.db2.gz MDTVCBAWWKDYME-SNVBAGLBSA-N 0 0 196.294 1.997 10 0 ADAERN CC[C@@H](C)[C@@H](O)Cc1nccn1CC 86749980 572976647 /nfs/dbraw/zinc/97/66/47/572976647.db2.gz ODZDAZXIEQZHLY-ZJUUUORDSA-N 0 0 196.294 1.853 10 0 ADAERN CC/C(=C\[C@@H]1CCOC1)[N+](=O)[O-] 51691501 572976659 /nfs/dbraw/zinc/97/66/59/572976659.db2.gz SHTFGFWNAIMJQU-QAZRXNLGSA-N 0 0 171.196 1.594 10 0 ADAERN CCc1cc(=O)[nH]c([C@@H](C)CC)n1 51690364 572976660 /nfs/dbraw/zinc/97/66/60/572976660.db2.gz BKMKXQUSYGYRRX-ZETCQYMHSA-N 0 0 180.251 1.846 10 0 ADAERN CCc1ccc(C[C@H](O)C2CC2)nc1 86735147 572976662 /nfs/dbraw/zinc/97/66/62/572976662.db2.gz LEHBLGWUWBMBGB-LBPRGKRZSA-N 0 0 191.274 1.957 10 0 ADAERN CCc1ccc(C[C@@H](O)COC)nc1 86736159 572976982 /nfs/dbraw/zinc/97/69/82/572976982.db2.gz JTGYCGGVANPYOV-LLVKDONJSA-N 0 0 195.262 1.194 10 0 ADAERN CC[C@@H](C)c1nc2c(c(=O)[nH]1)CCC2 51690388 572976675 /nfs/dbraw/zinc/97/66/75/572976675.db2.gz ZAASCGFXFRZRHM-SSDOTTSWSA-N 0 0 192.262 1.772 10 0 ADAERN CC[C@@H](C)[C@](C)(O)Cc1nccn1C 86749595 572976695 /nfs/dbraw/zinc/97/66/95/572976695.db2.gz ZTLOMIZVGGCVHW-MWLCHTKSSA-N 0 0 196.294 1.760 10 0 ADAERN CCC[C@@H](C)[C@H](O)Cc1nccn1C 86750137 572976699 /nfs/dbraw/zinc/97/66/99/572976699.db2.gz KURMTWXQFDEMPV-NXEZZACHSA-N 0 0 196.294 1.760 10 0 ADAERN CCCn1ccnc1C[C@H](O)C1CC1 86749999 572976711 /nfs/dbraw/zinc/97/67/11/572976711.db2.gz BTWBFEYKQKZYHH-JTQLQIEISA-N 0 0 194.278 1.607 10 0 ADAERN CCCC/C=C(\C(=O)NC)[C@H](O)CC 238190058 572976767 /nfs/dbraw/zinc/97/67/67/572976767.db2.gz AXEDMNHPNBUZMB-HSTULFTRSA-N 0 0 199.294 1.620 10 0 ADAERN CCCCCCNc1nnns1 238190533 572976963 /nfs/dbraw/zinc/97/69/63/572976963.db2.gz PFKOMBAWVKSXGQ-UHFFFAOYSA-N 0 0 186.284 1.925 10 0 ADAERN CC[C@H](C)[C@@](C)(O)Cc1nccn1C 86749600 572976803 /nfs/dbraw/zinc/97/68/03/572976803.db2.gz ZTLOMIZVGGCVHW-ONGXEEELSA-N 0 0 196.294 1.760 10 0 ADAERN CC(C)C[C@H]([NH3+])C(F)(F)C(=O)[O-] 238191042 572976837 /nfs/dbraw/zinc/97/68/37/572976837.db2.gz BHZPKGPTVRKQFD-YFKPBYRVSA-N 0 0 181.182 1.080 10 0 ADAERN CCn1ccnc1C[C@](C)(O)C(C)C 86749571 572976867 /nfs/dbraw/zinc/97/68/67/572976867.db2.gz HTNOASVAIRIZQK-NSHDSACASA-N 0 0 196.294 1.853 10 0 ADAERN Cc1ccc(-c2nccnc2N)cn1 84026608 572976872 /nfs/dbraw/zinc/97/68/72/572976872.db2.gz ZAGLSMKAJVDYGF-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(C)(O)[C@H](O)CCn1cccc1 238189499 572976877 /nfs/dbraw/zinc/97/68/77/572976877.db2.gz UPQWDOHOVRGRKN-SECBINFHSA-N 0 0 183.251 1.010 10 0 ADAERN CCC[C@H](C)[C@H](O)Cc1nccn1C 86750139 572976882 /nfs/dbraw/zinc/97/68/82/572976882.db2.gz KURMTWXQFDEMPV-VHSXEESVSA-N 0 0 196.294 1.760 10 0 ADAERN Nc1ccc(Cc2ccncc2)nn1 84026988 572976897 /nfs/dbraw/zinc/97/68/97/572976897.db2.gz BXFLFKBVEMNQLE-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN CCCn1ccnc1C[C@@H](O)C(C)C 86749869 572976898 /nfs/dbraw/zinc/97/68/98/572976898.db2.gz CXLFFQAWJGEUBF-SNVBAGLBSA-N 0 0 196.294 1.853 10 0 ADAERN C[C@H](C[NH2+][C@@H]1CC[C@H]1C(=O)[O-])C1CC1 300009278 572976907 /nfs/dbraw/zinc/97/69/07/572976907.db2.gz NKWXGXPJCHGUMN-SZEHBUNVSA-N 0 0 197.278 1.485 10 0 ADAERN Nc1nccnc1-c1ccncc1 84026389 572976908 /nfs/dbraw/zinc/97/69/08/572976908.db2.gz ODIDWWPXTBYQDB-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN CCC(CC)[C@H](CC)C(N)=O 238190463 572976910 /nfs/dbraw/zinc/97/69/10/572976910.db2.gz ITVSLNQGQHAIIH-QMMMGPOBSA-N 0 0 157.257 1.934 10 0 ADAERN CC(C)(CC(F)F)NC=O 59625904 572976916 /nfs/dbraw/zinc/97/69/16/572976916.db2.gz QHTTUVDSMSBTNM-UHFFFAOYSA-N 0 0 151.156 1.166 10 0 ADAERN C/C=C/CC[C@H](O)COC 51697043 572976917 /nfs/dbraw/zinc/97/69/17/572976917.db2.gz KBJVIMKYJBRUEF-RTMURIBGSA-N 0 0 144.214 1.350 10 0 ADAERN Nc1cnc(C2CCCCC2)[nH]c1=O 59621153 572976926 /nfs/dbraw/zinc/97/69/26/572976926.db2.gz SSERMSMSPLFTNX-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN c1coc(Cn2ccnc2)c1 59601915 572976941 /nfs/dbraw/zinc/97/69/41/572976941.db2.gz HYLSWRZMVYIUFW-UHFFFAOYSA-N 0 0 148.165 1.524 10 0 ADAERN CCCn1ccnc1CC1(O)CCC1 86750533 572977133 /nfs/dbraw/zinc/97/71/33/572977133.db2.gz SSQIOAVRDAGLSC-UHFFFAOYSA-N 0 0 194.278 1.751 10 0 ADAERN CCn1ccnc1C[C@@](C)(O)CC 86749552 572977078 /nfs/dbraw/zinc/97/70/78/572977078.db2.gz JJCXLFAFZJKOHW-JTQLQIEISA-N 0 0 182.267 1.607 10 0 ADAERN CC[C@@H](Cc1nccn1C)C(=O)OC 86749137 572977110 /nfs/dbraw/zinc/97/71/10/572977110.db2.gz UPJLQHULRNYHMD-QMMMGPOBSA-N 0 0 196.250 1.162 10 0 ADAERN CCc1ccc(C[C@H](O)CC)nc1 86735248 572977157 /nfs/dbraw/zinc/97/71/57/572977157.db2.gz LOOJGIHIFALFJN-LLVKDONJSA-N 0 0 179.263 1.957 10 0 ADAERN CCCC/C=C/C[C@@H](O)CCO 238191298 572977165 /nfs/dbraw/zinc/97/71/65/572977165.db2.gz SRZBRZUDQRWGQC-BRAIEQGRSA-N 0 0 172.268 1.866 10 0 ADAERN C=C/C=C/CC[C@]1(C(=O)[O-])CC[NH2+]C1 713666619 572977191 /nfs/dbraw/zinc/97/71/91/572977191.db2.gz OHYRZWVOYGLMRV-UFFNRZRYSA-N 0 0 195.262 1.573 10 0 ADAERN COCCNc1cc(C)c(F)cc1N 234660119 572977195 /nfs/dbraw/zinc/97/71/95/572977195.db2.gz LDDZLUICOHBIHY-UHFFFAOYSA-N 0 0 198.241 1.775 10 0 ADAERN CC[C@H](C)[C@H](O)Cc1nccn1CC 86749978 572977202 /nfs/dbraw/zinc/97/72/02/572977202.db2.gz ODZDAZXIEQZHLY-VHSXEESVSA-N 0 0 196.294 1.853 10 0 ADAERN Cc1nc([C@@H]2CCOC2)nc(N)c1C 51691704 572977211 /nfs/dbraw/zinc/97/72/11/572977211.db2.gz NQCJSHHEHAEKSG-MRVPVSSYSA-N 0 0 193.250 1.180 10 0 ADAERN CCCn1ccnc1C[C@H](O)CC 86750101 572977247 /nfs/dbraw/zinc/97/72/47/572977247.db2.gz QSQIMRWFKBJGRG-SECBINFHSA-N 0 0 182.267 1.607 10 0 ADAERN CC[C@@H](O)CCCc1nccn1CC 86754523 572977585 /nfs/dbraw/zinc/97/75/85/572977585.db2.gz AGCBKVDSWJRSDN-SNVBAGLBSA-N 0 0 196.294 1.997 10 0 ADAERN CCc1ccc(C[C@H](O)COC)nc1 86736157 572977262 /nfs/dbraw/zinc/97/72/62/572977262.db2.gz JTGYCGGVANPYOV-NSHDSACASA-N 0 0 195.262 1.194 10 0 ADAERN CC(=O)O[C@H]1CC[C@H](OC(C)=O)C1 196077217 572977265 /nfs/dbraw/zinc/97/72/65/572977265.db2.gz XCFPBHDEAZTCJS-IUCAKERBSA-N 0 0 186.207 1.034 10 0 ADAERN CCCCCC1=[NH+]CCN1CO 238190449 572977272 /nfs/dbraw/zinc/97/72/72/572977272.db2.gz DGOLSRGENOSRMP-UHFFFAOYSA-N 0 0 170.256 1.231 10 0 ADAERN CC[C@H](C)[C@@H](O)Cc1nccn1C 86749973 572977277 /nfs/dbraw/zinc/97/72/77/572977277.db2.gz AOJDCIOUGAKKKX-IUCAKERBSA-N 0 0 182.267 1.370 10 0 ADAERN CC(C)C(=O)CCc1csc(N)n1 238189716 572977285 /nfs/dbraw/zinc/97/72/85/572977285.db2.gz DYEGJEALTLKYED-UHFFFAOYSA-N 0 0 198.291 1.883 10 0 ADAERN CCn1ccnc1C[C@](C)(O)CC 86749554 572977293 /nfs/dbraw/zinc/97/72/93/572977293.db2.gz JJCXLFAFZJKOHW-SNVBAGLBSA-N 0 0 182.267 1.607 10 0 ADAERN CCC(CC)[C@H](O)Cc1nccn1C 86749905 572977312 /nfs/dbraw/zinc/97/73/12/572977312.db2.gz SDUYPDWPIUPBHY-SNVBAGLBSA-N 0 0 196.294 1.760 10 0 ADAERN O=C1CCc2ccccc2[C@@H]1O 59616075 572977325 /nfs/dbraw/zinc/97/73/25/572977325.db2.gz CZRXBWSZZOJWJG-JTQLQIEISA-N 0 0 162.188 1.235 10 0 ADAERN Cc1nc(Cl)nc(N2CCCC2)n1 84025418 572977331 /nfs/dbraw/zinc/97/73/31/572977331.db2.gz UJXIUBCGIIDBTD-UHFFFAOYSA-N 0 0 198.657 1.434 10 0 ADAERN CCc1ccc(-c2nccc(=O)[nH]2)o1 51722382 572977346 /nfs/dbraw/zinc/97/73/46/572977346.db2.gz JAQXXYWNPKQRRV-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN CC[C@H](C)[C@H](O)Cc1nccn1C 86749969 572977351 /nfs/dbraw/zinc/97/73/51/572977351.db2.gz AOJDCIOUGAKKKX-DTWKUNHWSA-N 0 0 182.267 1.370 10 0 ADAERN CC[C@](O)(Cc1nccn1C)C1CC1 86750361 572977354 /nfs/dbraw/zinc/97/73/54/572977354.db2.gz PNGIWEAWLRKHON-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@H](C)/C=C/[N+](=O)[O-] 51690639 572977364 /nfs/dbraw/zinc/97/73/64/572977364.db2.gz SVKXRPHOMPPUME-OVCGOVNKSA-N 0 0 129.159 1.823 10 0 ADAERN CC(C)(O)[C@H](CCO)c1ccccc1 238188673 572977388 /nfs/dbraw/zinc/97/73/88/572977388.db2.gz YDTYXFBLNHRBQB-LLVKDONJSA-N 0 0 194.274 1.924 10 0 ADAERN CC[C@@H](C)[C@H](O)Cc1nccn1C 86749967 572977391 /nfs/dbraw/zinc/97/73/91/572977391.db2.gz AOJDCIOUGAKKKX-RKDXNWHRSA-N 0 0 182.267 1.370 10 0 ADAERN CC(C)C(=O)C[C@H](C)OC=O 238190601 572977413 /nfs/dbraw/zinc/97/74/13/572977413.db2.gz QMZRYZGCMUPNKK-ZETCQYMHSA-N 0 0 158.197 1.163 10 0 ADAERN CC(=O)SCCC(=O)C(C)C 238189313 572977418 /nfs/dbraw/zinc/97/74/18/572977418.db2.gz NZLIHAKBLIICEM-UHFFFAOYSA-N 0 0 174.265 1.881 10 0 ADAERN CCC(=O)C(CC)(CC)CO 238190826 572977419 /nfs/dbraw/zinc/97/74/19/572977419.db2.gz KSRMDAFYSVRJOB-UHFFFAOYSA-N 0 0 158.241 1.764 10 0 ADAERN CNc1cccc(-c2ccnn2C)n1 84027517 572977426 /nfs/dbraw/zinc/97/74/26/572977426.db2.gz ISZOXSRVTJXPNY-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN Nc1nccnc1-c1cccc(F)c1 84026367 572977440 /nfs/dbraw/zinc/97/74/40/572977440.db2.gz VZEDSSWLPPEVJO-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CCC(=O)C(=O)OCCC(C)C 238189205 572977454 /nfs/dbraw/zinc/97/74/54/572977454.db2.gz KBBREJQOYYZWSU-UHFFFAOYSA-N 0 0 172.224 1.555 10 0 ADAERN CCCC/C=C(\C(=O)NC)[C@@H](O)CC 238190000 572977458 /nfs/dbraw/zinc/97/74/58/572977458.db2.gz AXEDMNHPNBUZMB-QROTZFDESA-N 0 0 199.294 1.620 10 0 ADAERN CCCCCC1=N[C@@](C)(CO)CO1 238190666 572977465 /nfs/dbraw/zinc/97/74/65/572977465.db2.gz JLJWTMHINJNSIH-JTQLQIEISA-N 0 0 185.267 1.746 10 0 ADAERN CC1=NN2C(=O)CCC[C@@H]2CC1 196581872 572977487 /nfs/dbraw/zinc/97/74/87/572977487.db2.gz HRTYOKXKTLFIAQ-MRVPVSSYSA-N 0 0 166.224 1.537 10 0 ADAERN CC(C)C[C@H]([NH3+])CCCC(=O)[O-] 238191198 572977502 /nfs/dbraw/zinc/97/75/02/572977502.db2.gz YGGIYMYJEQAKIP-MRVPVSSYSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H](O)CC(C)(C)Cc1nccn1C 86754607 572977507 /nfs/dbraw/zinc/97/75/07/572977507.db2.gz MTHQZONIMYZUPD-SECBINFHSA-N 0 0 196.294 1.760 10 0 ADAERN Cn1ccnc1CCC[C@H](O)C1CC1 86754552 572977515 /nfs/dbraw/zinc/97/75/15/572977515.db2.gz IDVZEBHEDWLSNU-JTQLQIEISA-N 0 0 194.278 1.514 10 0 ADAERN CNc1nccnc1-c1ccccn1 84027847 572977524 /nfs/dbraw/zinc/97/75/24/572977524.db2.gz LYXCXUMIBLRRSS-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN Nc1nccnc1-c1cccnc1 84026242 572977963 /nfs/dbraw/zinc/97/79/63/572977963.db2.gz QMSJEUYTJJDDHV-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN C[C@H](O)CCCc1nccn1C 86754433 572977567 /nfs/dbraw/zinc/97/75/67/572977567.db2.gz YXPHDESHXCSHNG-QMMMGPOBSA-N 0 0 168.240 1.124 10 0 ADAERN CCn1ccnc1CC(=O)[C@H]1C[C@H]1C 86751151 572977617 /nfs/dbraw/zinc/97/76/17/572977617.db2.gz ZWCFQFIXRMLPDN-BDAKNGLRSA-N 0 0 192.262 1.671 10 0 ADAERN C[C@H](O)CC(C)(C)Cc1nccn1C 86754605 572977622 /nfs/dbraw/zinc/97/76/22/572977622.db2.gz MTHQZONIMYZUPD-VIFPVBQESA-N 0 0 196.294 1.760 10 0 ADAERN CNc1nccnc1-c1cccnc1 84027708 572977652 /nfs/dbraw/zinc/97/76/52/572977652.db2.gz BTTGHJQNDSYOOD-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CC(C)(O)[C@H](CO)C[Si](C)(C)C 238188798 572977663 /nfs/dbraw/zinc/97/76/63/572977663.db2.gz WZZXDEKLKPZMES-MRVPVSSYSA-N 0 0 190.359 1.704 10 0 ADAERN CCn1ccnc1CCC[C@@H](C)O 86754428 572977664 /nfs/dbraw/zinc/97/76/64/572977664.db2.gz LVZILDJFBRAKSX-SECBINFHSA-N 0 0 182.267 1.607 10 0 ADAERN CCn1ccnc1C[C@H](O)[C@H]1C[C@@H]1C 86751602 572977680 /nfs/dbraw/zinc/97/76/80/572977680.db2.gz IWEZMEMKOUJBAI-GUBZILKMSA-N 0 0 194.278 1.462 10 0 ADAERN CC(=O)CCCc1nccn1C 86753694 572977685 /nfs/dbraw/zinc/97/76/85/572977685.db2.gz CTVGNVJSLKYQDY-UHFFFAOYSA-N 0 0 166.224 1.332 10 0 ADAERN CCn1ccnc1CCC[C@H](C)O 86754431 572977691 /nfs/dbraw/zinc/97/76/91/572977691.db2.gz LVZILDJFBRAKSX-VIFPVBQESA-N 0 0 182.267 1.607 10 0 ADAERN CC[C@H](O)CCCc1nccn1CC 86754520 572977722 /nfs/dbraw/zinc/97/77/22/572977722.db2.gz AGCBKVDSWJRSDN-JTQLQIEISA-N 0 0 196.294 1.997 10 0 ADAERN CC(=O)C[C@H](C)F 59630436 572977726 /nfs/dbraw/zinc/97/77/26/572977726.db2.gz YFAPXLZNWXOXHH-BYPYZUCNSA-N 0 0 104.124 1.324 10 0 ADAERN CCn1ccnc1CCCC(C)=O 86753698 572977727 /nfs/dbraw/zinc/97/77/27/572977727.db2.gz POZZQKFSITVBNZ-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN CCn1ccnc1C[C@H](C)C[C@@H](C)O 86754583 572977735 /nfs/dbraw/zinc/97/77/35/572977735.db2.gz GSBDFIVZSUKUPA-NXEZZACHSA-N 0 0 196.294 1.853 10 0 ADAERN Nc1ccc(Cc2ccccn2)nn1 84026975 572977745 /nfs/dbraw/zinc/97/77/45/572977745.db2.gz XNNMXTYCWUXZGQ-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Cc1nc(Cl)nc(-n2cccn2)n1 84025428 572977755 /nfs/dbraw/zinc/97/77/55/572977755.db2.gz RYCHXWINYIOIOW-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN CCn1ccnc1C[C@H](O)C1CCC1 86751408 572977757 /nfs/dbraw/zinc/97/77/57/572977757.db2.gz BKHOXVIGVMBZFY-JTQLQIEISA-N 0 0 194.278 1.607 10 0 ADAERN CCn1ccnc1CCCCO 86754420 572977761 /nfs/dbraw/zinc/97/77/61/572977761.db2.gz OFTMWICZSRCTKK-UHFFFAOYSA-N 0 0 168.240 1.218 10 0 ADAERN CCCCCC1CC(CO)(CO)C1 238190856 572977762 /nfs/dbraw/zinc/97/77/62/572977762.db2.gz PVVYNZWIQFGGHF-UHFFFAOYSA-N 0 0 186.295 1.948 10 0 ADAERN CC(=O)C[C@@H](C)Cc1nccn1C 86753757 572977768 /nfs/dbraw/zinc/97/77/68/572977768.db2.gz NDPDZGNTJAUPJV-MRVPVSSYSA-N 0 0 180.251 1.578 10 0 ADAERN CNc1nccnc1-c1ccncc1 84027767 572977774 /nfs/dbraw/zinc/97/77/74/572977774.db2.gz KFGRRTAYQINIRK-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CCCn1ccnc1CC(=O)COC 86750902 572977786 /nfs/dbraw/zinc/97/77/86/572977786.db2.gz AWJXKYBCIVVTAA-UHFFFAOYSA-N 0 0 196.250 1.051 10 0 ADAERN CCCn1ccnc1CC(=O)C1CC1 86750876 572977791 /nfs/dbraw/zinc/97/77/91/572977791.db2.gz CCWZMFODVRZSKV-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN CC(=O)NC(C)(C)CC(=O)C(C)C 238188521 572977777 /nfs/dbraw/zinc/97/77/77/572977777.db2.gz UCIMDPQKEAAAFL-UHFFFAOYSA-N 0 0 185.267 1.516 10 0 ADAERN CNc1ccc([S@](C)=O)c(OC)c1 196580745 572977799 /nfs/dbraw/zinc/97/77/99/572977799.db2.gz RKZNZAVQVZCMJN-ZDUSSCGKSA-N 0 0 199.275 1.474 10 0 ADAERN CC(C)[C@@H](/C=C/[C@H](C)[NH3+])C(=O)[O-] 238189227 572977825 /nfs/dbraw/zinc/97/78/25/572977825.db2.gz VUERGAFAPBDPPU-ODAVYXMRSA-N 0 0 171.240 1.247 10 0 ADAERN C[C@@H]1C(CO)=Cc2ccnc1c2 196580871 572977826 /nfs/dbraw/zinc/97/78/26/572977826.db2.gz AWMAVDJHARVPNN-SSDOTTSWSA-N 0 0 161.204 1.574 10 0 ADAERN CCC(CC)[C@H](C)OC(N)=O 238190290 572977835 /nfs/dbraw/zinc/97/78/35/572977835.db2.gz AQMCGFHUIOCDEN-LURJTMIESA-N 0 0 159.229 1.906 10 0 ADAERN CC(=O)CC(C)(C)Cc1nccn1C 86753767 572977845 /nfs/dbraw/zinc/97/78/45/572977845.db2.gz FBUBIMBTGKHTEM-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN NOCc1ccccc1OC(F)F 116916684 572977849 /nfs/dbraw/zinc/97/78/49/572977849.db2.gz YLCPXOGRZLMOKQ-UHFFFAOYSA-N 0 0 189.161 1.678 10 0 ADAERN C[C@@H](O)CCCc1nccn1C 86754434 572977853 /nfs/dbraw/zinc/97/78/53/572977853.db2.gz YXPHDESHXCSHNG-MRVPVSSYSA-N 0 0 168.240 1.124 10 0 ADAERN FC(F)(F)c1ccnc2ncnn12 196009650 572977857 /nfs/dbraw/zinc/97/78/57/572977857.db2.gz BFGUWXMZPJVUJY-UHFFFAOYSA-N 0 0 188.112 1.143 10 0 ADAERN Nc1cccc(C(=O)n2cccn2)c1 59571762 572977858 /nfs/dbraw/zinc/97/78/58/572977858.db2.gz JHOSTVCWYCAFAC-UHFFFAOYSA-N 0 0 187.202 1.154 10 0 ADAERN OC[C@@H]1CCC[C@H](c2ccncc2)[NH2+]1 713811748 572977871 /nfs/dbraw/zinc/97/78/71/572977871.db2.gz GNVVDKNCWZYOBI-WDEREUQCSA-N 0 0 192.262 1.257 10 0 ADAERN CCCn1ccnc1CCCCO 86754419 572977879 /nfs/dbraw/zinc/97/78/79/572977879.db2.gz IWAWLBLESGCVLZ-UHFFFAOYSA-N 0 0 182.267 1.608 10 0 ADAERN CCC(=O)C(C)(C)COC(C)=O 238190035 572977898 /nfs/dbraw/zinc/97/78/98/572977898.db2.gz QXRDCCQQDFYXJV-UHFFFAOYSA-N 0 0 172.224 1.555 10 0 ADAERN CCOc1nc(C)nc(Cl)n1 84025430 572977901 /nfs/dbraw/zinc/97/79/01/572977901.db2.gz RDUXVIYTDBTLDR-UHFFFAOYSA-N 0 0 173.603 1.232 10 0 ADAERN CC(C)[C@@H](O)CCCc1nccn1C 86754541 572977916 /nfs/dbraw/zinc/97/79/16/572977916.db2.gz PWGUVXMOUVGTMX-JTQLQIEISA-N 0 0 196.294 1.760 10 0 ADAERN Cc1nc(Cl)nc(-n2ccnc2)n1 84025422 572977917 /nfs/dbraw/zinc/97/79/17/572977917.db2.gz TVFUSMGHBVVKPD-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN CCC(C)(C)[C@@H](N)C(=O)OC(C)C 238189357 572977925 /nfs/dbraw/zinc/97/79/25/572977925.db2.gz XMAHPHAYCBLLNM-QMMMGPOBSA-N 0 0 187.283 1.702 10 0 ADAERN CC(C)[C@H](O)CCCc1nccn1C 86754540 572977934 /nfs/dbraw/zinc/97/79/34/572977934.db2.gz PWGUVXMOUVGTMX-SNVBAGLBSA-N 0 0 196.294 1.760 10 0 ADAERN CC(C)C(=O)C[C@@H](C)OC=O 238190131 572977949 /nfs/dbraw/zinc/97/79/49/572977949.db2.gz QMZRYZGCMUPNKK-SSDOTTSWSA-N 0 0 158.197 1.163 10 0 ADAERN Nc1nccnc1-c1ccccn1 84026618 572977951 /nfs/dbraw/zinc/97/79/51/572977951.db2.gz DGGXILIOHWIXGE-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN CCn1ccnc1CC(=O)[C@H]1C[C@@H]1C 86751147 572977968 /nfs/dbraw/zinc/97/79/68/572977968.db2.gz ZWCFQFIXRMLPDN-IUCAKERBSA-N 0 0 192.262 1.671 10 0 ADAERN CC(C)COCc1cnc(N)s1 86766796 572978712 /nfs/dbraw/zinc/97/87/12/572978712.db2.gz DZHZPCJEMIPFLO-UHFFFAOYSA-N 0 0 186.280 1.898 10 0 ADAERN CCSCC(=O)Cc1nccn1C 86751018 572978715 /nfs/dbraw/zinc/97/87/15/572978715.db2.gz JLFXHZILJOZCRO-UHFFFAOYSA-N 0 0 198.291 1.285 10 0 ADAERN CCn1ccnc1CC(=O)CCOC 86750897 572978049 /nfs/dbraw/zinc/97/80/49/572978049.db2.gz YOHZVDXAOXMOSQ-UHFFFAOYSA-N 0 0 196.250 1.051 10 0 ADAERN CNc1cccc(-c2cnn(C)c2)n1 84027250 572978053 /nfs/dbraw/zinc/97/80/53/572978053.db2.gz LCGIOLXCHZELKO-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN C=CSC[C@H](C)O 59681974 572978720 /nfs/dbraw/zinc/97/87/20/572978720.db2.gz BMAANCPDDFIZMG-YFKPBYRVSA-N 0 0 118.201 1.244 10 0 ADAERN Clc1nccnc1-c1cnccn1 84026099 572978167 /nfs/dbraw/zinc/97/81/67/572978167.db2.gz OZRVNDHEBSEVMQ-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN CNC(=O)CCNc1cccc(C)c1 51757912 572978173 /nfs/dbraw/zinc/97/81/73/572978173.db2.gz OVDFDEANACLRQU-UHFFFAOYSA-N 0 0 192.262 1.543 10 0 ADAERN C[C@@H](Cc1nccn1C)C[C@@H](C)O 86754589 572978210 /nfs/dbraw/zinc/97/82/10/572978210.db2.gz JJUIINXEMNMKIS-RKDXNWHRSA-N 0 0 182.267 1.370 10 0 ADAERN CCC(CC)[C@H](CO)CCCO 238191371 572978214 /nfs/dbraw/zinc/97/82/14/572978214.db2.gz FMUBRNGNBFJGNF-JTQLQIEISA-N 0 0 174.284 1.804 10 0 ADAERN CNc1ccc([S@@](C)=O)c(OC)c1 196580753 572978226 /nfs/dbraw/zinc/97/82/26/572978226.db2.gz RKZNZAVQVZCMJN-CYBMUJFWSA-N 0 0 199.275 1.474 10 0 ADAERN Cc1ccc(CON)c(F)c1F 116915133 572978240 /nfs/dbraw/zinc/97/82/40/572978240.db2.gz CRCGCNGXVQUDHW-UHFFFAOYSA-N 0 0 173.162 1.664 10 0 ADAERN Cc1nc(Cl)nc(OC(C)C)n1 84025435 572978247 /nfs/dbraw/zinc/97/82/47/572978247.db2.gz SPTREULYWNMXNY-UHFFFAOYSA-N 0 0 187.630 1.621 10 0 ADAERN C[C@H](O)C[C@H](C)Cc1nccn1C 86754596 572978253 /nfs/dbraw/zinc/97/82/53/572978253.db2.gz JJUIINXEMNMKIS-IUCAKERBSA-N 0 0 182.267 1.370 10 0 ADAERN CCCn1ccnc1CC[C@@H](C)CO 86754561 572978264 /nfs/dbraw/zinc/97/82/64/572978264.db2.gz NLSHAFMQKCZJKF-SNVBAGLBSA-N 0 0 196.294 1.854 10 0 ADAERN CCn1ccnc1CC(=O)[C@@H]1C[C@H]1C 86751149 572978268 /nfs/dbraw/zinc/97/82/68/572978268.db2.gz ZWCFQFIXRMLPDN-RKDXNWHRSA-N 0 0 192.262 1.671 10 0 ADAERN CCOC(=O)C=C(C)NC1CCCC1 59588086 572978269 /nfs/dbraw/zinc/97/82/69/572978269.db2.gz OZXYOOICFBPUKR-CMDGGOBGSA-N 0 0 197.278 1.986 10 0 ADAERN CCCCCC1=N[C@](C)(CO)CO1 238190700 572978275 /nfs/dbraw/zinc/97/82/75/572978275.db2.gz JLJWTMHINJNSIH-SNVBAGLBSA-N 0 0 185.267 1.746 10 0 ADAERN CC(=O)C[C@H](C)Cc1nccn1C 86753759 572978729 /nfs/dbraw/zinc/97/87/29/572978729.db2.gz NDPDZGNTJAUPJV-QMMMGPOBSA-N 0 0 180.251 1.578 10 0 ADAERN CCn1ccnc1CC(=O)[C@@H]1C[C@@H]1C 86751146 572978288 /nfs/dbraw/zinc/97/82/88/572978288.db2.gz ZWCFQFIXRMLPDN-DTWKUNHWSA-N 0 0 192.262 1.671 10 0 ADAERN CCn1ccnc1CC[C@H](C)CO 86754567 572978298 /nfs/dbraw/zinc/97/82/98/572978298.db2.gz SCLKXJYAHIYCOZ-VIFPVBQESA-N 0 0 182.267 1.464 10 0 ADAERN CCCCCOCO[C@H](C)[C@@H](C)O 238194509 572978731 /nfs/dbraw/zinc/97/87/31/572978731.db2.gz UOVSVYRSXYCXSC-NXEZZACHSA-N 0 0 190.283 1.937 10 0 ADAERN CCn1ccnc1C[C@@H](C)C[C@@H](C)O 86754581 572978324 /nfs/dbraw/zinc/97/83/24/572978324.db2.gz GSBDFIVZSUKUPA-VHSXEESVSA-N 0 0 196.294 1.853 10 0 ADAERN CCC[C@H](O)CCCc1nccn1C 86754496 572978362 /nfs/dbraw/zinc/97/83/62/572978362.db2.gz SCVUVKSFBCKLSS-JTQLQIEISA-N 0 0 196.294 1.904 10 0 ADAERN CCCn1ccnc1CC[C@H](C)CO 86754563 572978367 /nfs/dbraw/zinc/97/83/67/572978367.db2.gz NLSHAFMQKCZJKF-JTQLQIEISA-N 0 0 196.294 1.854 10 0 ADAERN CCC[C@@H](O)CCCc1nccn1C 86754498 572978392 /nfs/dbraw/zinc/97/83/92/572978392.db2.gz SCVUVKSFBCKLSS-SNVBAGLBSA-N 0 0 196.294 1.904 10 0 ADAERN Cc1ccc2c(CO)cn(C)c2c1 59731772 572978451 /nfs/dbraw/zinc/97/84/51/572978451.db2.gz QFEVNQKWQBHRGO-UHFFFAOYSA-N 0 0 175.231 1.979 10 0 ADAERN CC1=NN2C(=O)CCC[C@H]2CC1 196581863 572978456 /nfs/dbraw/zinc/97/84/56/572978456.db2.gz HRTYOKXKTLFIAQ-QMMMGPOBSA-N 0 0 166.224 1.537 10 0 ADAERN CCCC/C=C/O[C@H](C)C(N)=O 238191949 572978469 /nfs/dbraw/zinc/97/84/69/572978469.db2.gz VYROSOGICGBCLJ-HYDMIIDASA-N 0 0 171.240 1.581 10 0 ADAERN Cc1ccc(Cc2ncc(N)cn2)cc1 51752625 572978473 /nfs/dbraw/zinc/97/84/73/572978473.db2.gz CHQDQNFHWICAJZ-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN C[C@H](N)C(=O)Oc1cccs1 59696721 572978488 /nfs/dbraw/zinc/97/84/88/572978488.db2.gz HQABNDWGGLKNRX-YFKPBYRVSA-N 0 0 171.221 1.001 10 0 ADAERN CC(=O)[C@H](CO)Sc1ccccc1 238193448 572978581 /nfs/dbraw/zinc/97/85/81/572978581.db2.gz CXZOEIXOULDYIL-JTQLQIEISA-N 0 0 196.271 1.729 10 0 ADAERN CCn1ccnc1CC(=O)CSC 86750942 572978592 /nfs/dbraw/zinc/97/85/92/572978592.db2.gz OZGFKOOHXDZSGU-UHFFFAOYSA-N 0 0 198.291 1.378 10 0 ADAERN CCCn1ccnc1CC(C)=O 86750870 572978999 /nfs/dbraw/zinc/97/89/99/572978999.db2.gz PRQNBHVVBBLEQN-UHFFFAOYSA-N 0 0 166.224 1.425 10 0 ADAERN Cn1cc(CO)c2c(F)ccc(F)c21 59731827 572978642 /nfs/dbraw/zinc/97/86/42/572978642.db2.gz JPAZQXHEBGUYLJ-UHFFFAOYSA-N 0 0 197.184 1.949 10 0 ADAERN CCCCN1N[C@@H](CC(F)F)C1=O 713812653 572978656 /nfs/dbraw/zinc/97/86/56/572978656.db2.gz MRCRCICIUWGADA-LURJTMIESA-N 0 0 192.209 1.157 10 0 ADAERN Cn1ccnc1CCC[C@@H](O)C1CC1 86754553 572978676 /nfs/dbraw/zinc/97/86/76/572978676.db2.gz IDVZEBHEDWLSNU-SNVBAGLBSA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@@H](O)CCCc1nccn1C 86754528 572978692 /nfs/dbraw/zinc/97/86/92/572978692.db2.gz GWPSASJOILAKTQ-SECBINFHSA-N 0 0 182.267 1.514 10 0 ADAERN C[C@H]1CC[N@H+](CCC(=O)[O-])[C@H](C)C1 51733256 572978696 /nfs/dbraw/zinc/97/86/96/572978696.db2.gz RVVSHJFIYBQPIE-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1CC[C@@H](C)C[C@H]1C 51733314 572978699 /nfs/dbraw/zinc/97/86/99/572978699.db2.gz UQJNETOUIWEYNR-BBBLOLIVSA-N 0 0 199.294 1.970 10 0 ADAERN OC[C@@H]1CC1=C1CC1 196580939 572978737 /nfs/dbraw/zinc/97/87/37/572978737.db2.gz SHNRROHBAGUWOU-LURJTMIESA-N 0 0 110.156 1.089 10 0 ADAERN CC(=O)CC[C@@]1(C)CCCO1 196582013 572978743 /nfs/dbraw/zinc/97/87/43/572978743.db2.gz AAAYIHSBKTTXBW-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN CCCC/C=C/SC[C@@H](O)CO 238191978 572978759 /nfs/dbraw/zinc/97/87/59/572978759.db2.gz KADLMFWPLJXQEE-CYNONHLPSA-N 0 0 190.308 1.777 10 0 ADAERN [NH3+][C@@H](CCC[C@H]1CCCO1)C(F)F 236305453 572978770 /nfs/dbraw/zinc/97/87/70/572978770.db2.gz SXGURFKVGAFOOX-YUMQZZPRSA-N 0 0 193.237 1.928 10 0 ADAERN COc1cccc2c1c(CO)cn2C 59731792 572978775 /nfs/dbraw/zinc/97/87/75/572978775.db2.gz FZWINQJTULLAOI-UHFFFAOYSA-N 0 0 191.230 1.679 10 0 ADAERN CCn1ccnc1CC[C@@H](C)CO 86754565 572978781 /nfs/dbraw/zinc/97/87/81/572978781.db2.gz SCLKXJYAHIYCOZ-SECBINFHSA-N 0 0 182.267 1.464 10 0 ADAERN CC[C@H](O)CCCc1nccn1C 86754525 572978797 /nfs/dbraw/zinc/97/87/97/572978797.db2.gz GWPSASJOILAKTQ-VIFPVBQESA-N 0 0 182.267 1.514 10 0 ADAERN CCn1ccnc1C[C@@H](C)C[C@H](C)O 86754585 572978810 /nfs/dbraw/zinc/97/88/10/572978810.db2.gz GSBDFIVZSUKUPA-UWVGGRQHSA-N 0 0 196.294 1.853 10 0 ADAERN Cn1cc(CO)c2ccc(F)cc21 59731810 572978813 /nfs/dbraw/zinc/97/88/13/572978813.db2.gz IMPMERULQHPIPO-UHFFFAOYSA-N 0 0 179.194 1.810 10 0 ADAERN CCCCCOCOCC[C@H](C)O 238194336 572978823 /nfs/dbraw/zinc/97/88/23/572978823.db2.gz WQTXDBMAAUNCIN-JTQLQIEISA-N 0 0 190.283 1.938 10 0 ADAERN CCCC/C=C/O[C@@H](C)C(N)=O 238191934 572978827 /nfs/dbraw/zinc/97/88/27/572978827.db2.gz VYROSOGICGBCLJ-CZEYKFRCSA-N 0 0 171.240 1.581 10 0 ADAERN O=C1[C@H](CC2CC2)NN1C1CCC1 713812776 572978881 /nfs/dbraw/zinc/97/88/81/572978881.db2.gz ZHGLSDTVNQGGPE-VIFPVBQESA-N 0 0 180.251 1.054 10 0 ADAERN CCCC/C=C/C[C@H](O)CO 238191585 572978917 /nfs/dbraw/zinc/97/89/17/572978917.db2.gz SGWKMWBMNVFUAR-CYNONHLPSA-N 0 0 158.241 1.476 10 0 ADAERN CC(C)CC[C@@H](O)Cc1nccn1C 86751294 572978954 /nfs/dbraw/zinc/97/89/54/572978954.db2.gz CZQRVDXPMOTXMX-SNVBAGLBSA-N 0 0 196.294 1.760 10 0 ADAERN CCCC/C=C/[C@@](C)(O)CCO 238193305 572978956 /nfs/dbraw/zinc/97/89/56/572978956.db2.gz FYBHWGSEFOUQOH-VQCYPWCPSA-N 0 0 172.268 1.866 10 0 ADAERN CCCC/C=C/[C@](C)(O)CCO 238194413 572978959 /nfs/dbraw/zinc/97/89/59/572978959.db2.gz FYBHWGSEFOUQOH-FGEFZZPRSA-N 0 0 172.268 1.866 10 0 ADAERN CCn1ccnc1C[C@@H](O)C1CCC1 86751409 572978960 /nfs/dbraw/zinc/97/89/60/572978960.db2.gz BKHOXVIGVMBZFY-SNVBAGLBSA-N 0 0 194.278 1.607 10 0 ADAERN CCCCCOCOCC[C@@H](C)O 238194317 572979009 /nfs/dbraw/zinc/97/90/09/572979009.db2.gz WQTXDBMAAUNCIN-SNVBAGLBSA-N 0 0 190.283 1.938 10 0 ADAERN O=C1CC[C@H]2C[C@@H]1CCCC2=O 196581195 572979025 /nfs/dbraw/zinc/97/90/25/572979025.db2.gz OIINEWJRJBYLPX-YUMQZZPRSA-N 0 0 166.220 1.725 10 0 ADAERN CCCCCOCO[C@@H](C)CCO 238194431 572979027 /nfs/dbraw/zinc/97/90/27/572979027.db2.gz OUSFNZBSCSYDHR-JTQLQIEISA-N 0 0 190.283 1.938 10 0 ADAERN CCC(=O)CCCc1nccn1C 86753708 572979028 /nfs/dbraw/zinc/97/90/28/572979028.db2.gz FELSPMFWQCCUDS-UHFFFAOYSA-N 0 0 180.251 1.722 10 0 ADAERN COc1cc(C)c2c(CO)c[nH]c2c1 59731761 572979039 /nfs/dbraw/zinc/97/90/39/572979039.db2.gz GPERUPIEERAGLW-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN Cn1ccnc1CCCC(=O)C1CC1 86753724 572979044 /nfs/dbraw/zinc/97/90/44/572979044.db2.gz RXGJJKRPJOOTHO-UHFFFAOYSA-N 0 0 192.262 1.722 10 0 ADAERN OCC1=CCc2ccccc2O1 59665448 572979050 /nfs/dbraw/zinc/97/90/50/572979050.db2.gz CIPKIRAQCUOFDZ-UHFFFAOYSA-N 0 0 162.188 1.498 10 0 ADAERN CCCC/C=C/SC[C@H](O)CO 238191999 572979068 /nfs/dbraw/zinc/97/90/68/572979068.db2.gz KADLMFWPLJXQEE-VUHVRTRXSA-N 0 0 190.308 1.777 10 0 ADAERN CCOCC(=O)Cc1nccn1CC 86751164 572979086 /nfs/dbraw/zinc/97/90/86/572979086.db2.gz HQHGAPCVBRPCOT-UHFFFAOYSA-N 0 0 196.250 1.051 10 0 ADAERN CC(C)OCC[C@H](C)SCCO 238194729 572979093 /nfs/dbraw/zinc/97/90/93/572979093.db2.gz DHRSKZAQUDKWAM-VIFPVBQESA-N 0 0 192.324 1.916 10 0 ADAERN CC(C)C(=O)CCCc1nccn1C 86753718 572979117 /nfs/dbraw/zinc/97/91/17/572979117.db2.gz XHSIEZAGRBHOCJ-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN CCCCCOCO[C@@H](C)[C@H](C)O 238194474 572979169 /nfs/dbraw/zinc/97/91/69/572979169.db2.gz UOVSVYRSXYCXSC-UWVGGRQHSA-N 0 0 190.283 1.937 10 0 ADAERN CCn1ccnc1C[C@H](C)C[C@H](C)O 86754587 572979172 /nfs/dbraw/zinc/97/91/72/572979172.db2.gz GSBDFIVZSUKUPA-ZJUUUORDSA-N 0 0 196.294 1.853 10 0 ADAERN CCn1ccnc1CC(=O)C1CCC1 86751009 572979177 /nfs/dbraw/zinc/97/91/77/572979177.db2.gz NSDSXPBXYCQRSD-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN C[C@H](O)C[C@@H](C)Cc1nccn1C 86754594 572979360 /nfs/dbraw/zinc/97/93/60/572979360.db2.gz JJUIINXEMNMKIS-BDAKNGLRSA-N 0 0 182.267 1.370 10 0 ADAERN Cn1cc(CO)c2cccc(F)c21 59731818 572979397 /nfs/dbraw/zinc/97/93/97/572979397.db2.gz RWMKSKJCADYFHS-UHFFFAOYSA-N 0 0 179.194 1.810 10 0 ADAERN OC[C@H]1CC1=C1CC1 196580925 572979400 /nfs/dbraw/zinc/97/94/00/572979400.db2.gz SHNRROHBAGUWOU-ZCFIWIBFSA-N 0 0 110.156 1.089 10 0 ADAERN CCCn1ccnc1CCC[C@@H](C)O 86754424 572979419 /nfs/dbraw/zinc/97/94/19/572979419.db2.gz QVNGAWFZOJRPQV-SNVBAGLBSA-N 0 0 196.294 1.997 10 0 ADAERN CCC(CC)[C@](C)([NH3+])CC(=O)[O-] 238193329 572979426 /nfs/dbraw/zinc/97/94/26/572979426.db2.gz FMQDCUYIRCXBEC-SECBINFHSA-N 0 0 173.256 1.615 10 0 ADAERN C[C@@H](O)C[C@H](C)Cc1nccn1C 86754591 572979427 /nfs/dbraw/zinc/97/94/27/572979427.db2.gz JJUIINXEMNMKIS-DTWKUNHWSA-N 0 0 182.267 1.370 10 0 ADAERN CCn1ccnc1CC(=O)[C@H](C)OC 86751219 572979455 /nfs/dbraw/zinc/97/94/55/572979455.db2.gz QBHBLOFQCALIIU-QMMMGPOBSA-N 0 0 196.250 1.050 10 0 ADAERN Nc1ncc(COCC2CC2)s1 86766847 572979465 /nfs/dbraw/zinc/97/94/65/572979465.db2.gz MNIQOFUDZDWZMT-UHFFFAOYSA-N 0 0 184.264 1.652 10 0 ADAERN CC(C)OCC[C@@H](C)SCCO 238194505 572979486 /nfs/dbraw/zinc/97/94/86/572979486.db2.gz DHRSKZAQUDKWAM-SECBINFHSA-N 0 0 192.324 1.916 10 0 ADAERN COc1cc(NC2(C)CC2)nc(N)n1 234960650 572979498 /nfs/dbraw/zinc/97/94/98/572979498.db2.gz KUYCTTZNBXAMNM-UHFFFAOYSA-N 0 0 194.238 1.032 10 0 ADAERN CCCC/C=C/OC[C@@H](O)CO 238191894 572979560 /nfs/dbraw/zinc/97/95/60/572979560.db2.gz VOWSBPNCRIWFEW-CYNONHLPSA-N 0 0 174.240 1.060 10 0 ADAERN COC(=O)C1=C[C@@H](C)[C@H]1C 196583256 572979613 /nfs/dbraw/zinc/97/96/13/572979613.db2.gz FTLVSCMZYSKIHQ-PHDIDXHHSA-N 0 0 140.182 1.372 10 0 ADAERN CCC(CC)[C@]1(CC)NC(=O)NC1=O 238193386 572979569 /nfs/dbraw/zinc/97/95/69/572979569.db2.gz LQLSYALQXFDYLK-JTQLQIEISA-N 0 0 198.266 1.411 10 0 ADAERN CCC(CC)[C@H](O)[C@H](C)CO 238192661 572979582 /nfs/dbraw/zinc/97/95/82/572979582.db2.gz OERSDUKBRLSEPJ-VXNVDRBHSA-N 0 0 160.257 1.412 10 0 ADAERN CCCC/C=C/[C@@H]1COC(=O)N1 238192912 572979587 /nfs/dbraw/zinc/97/95/87/572979587.db2.gz VOXHCTBUAFDPDM-HQZHTGGTSA-N 0 0 169.224 1.841 10 0 ADAERN CCCCCOCO[C@@H](C)[C@@H](C)O 238194456 572979596 /nfs/dbraw/zinc/97/95/96/572979596.db2.gz UOVSVYRSXYCXSC-ZJUUUORDSA-N 0 0 190.283 1.937 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H]2C=C[C@H]1C2 196582904 572979602 /nfs/dbraw/zinc/97/96/02/572979602.db2.gz GNOMSHQSPYMHRK-HRDYMLBCSA-N 0 0 151.209 1.087 10 0 ADAERN CCCCN1CC(=O)CS1 59681023 572979733 /nfs/dbraw/zinc/97/97/33/572979733.db2.gz PKSIMEOZILHFKU-UHFFFAOYSA-N 0 0 159.254 1.319 10 0 ADAERN Cn1cc(CO)c2cc(F)cc(F)c21 59731831 572979734 /nfs/dbraw/zinc/97/97/34/572979734.db2.gz GCYWQINXFMEAKK-UHFFFAOYSA-N 0 0 197.184 1.949 10 0 ADAERN CCC(CC)[C@H]1CC1(CO)CO 238192894 572979761 /nfs/dbraw/zinc/97/97/61/572979761.db2.gz RJHVDZQLFFSJMB-SECBINFHSA-N 0 0 172.268 1.414 10 0 ADAERN SN1CCCCC1 59724899 572979796 /nfs/dbraw/zinc/97/97/96/572979796.db2.gz OHVWVLZTMSRHBE-UHFFFAOYSA-N 0 0 117.217 1.317 10 0 ADAERN Cn1cc(CO)c2c(F)cccc21 59731812 572979804 /nfs/dbraw/zinc/97/98/04/572979804.db2.gz XJHSLMVZJNCWPI-UHFFFAOYSA-N 0 0 179.194 1.810 10 0 ADAERN CCCCN1N[C@H](CC(F)F)C1=O 713812654 572979810 /nfs/dbraw/zinc/97/98/10/572979810.db2.gz MRCRCICIUWGADA-ZCFIWIBFSA-N 0 0 192.209 1.157 10 0 ADAERN CCCCCOC1CC(C(N)=O)C1 238193638 572979831 /nfs/dbraw/zinc/97/98/31/572979831.db2.gz GCEDXUPSQFRYGC-UHFFFAOYSA-N 0 0 185.267 1.457 10 0 ADAERN CCCCC[C@@H](C)N1CC(=O)NC1=O 86787538 572981075 /nfs/dbraw/zinc/98/10/75/572981075.db2.gz FAQHTDKHMXCSNH-MRVPVSSYSA-N 0 0 198.266 1.507 10 0 ADAERN CC(C)CCCN1CCC(=O)NC1=O 86786723 572979897 /nfs/dbraw/zinc/97/98/97/572979897.db2.gz RZPRKVSBQYELJE-UHFFFAOYSA-N 0 0 198.266 1.365 10 0 ADAERN CCOC(=O)C[C@@H](C)CF 196132541 572980954 /nfs/dbraw/zinc/98/09/54/572980954.db2.gz WFJOTZOVRYBZBE-ZCFIWIBFSA-N 0 0 148.177 1.545 10 0 ADAERN CCCCC[C@H](C)N1CC(=O)NC1=O 86787539 572980140 /nfs/dbraw/zinc/98/01/40/572980140.db2.gz FAQHTDKHMXCSNH-QMMMGPOBSA-N 0 0 198.266 1.507 10 0 ADAERN CCCC[C@H](C)N1CCC(=O)NC1=O 86785861 572980145 /nfs/dbraw/zinc/98/01/45/572980145.db2.gz CUQSCOHBDCLDHA-QMMMGPOBSA-N 0 0 198.266 1.507 10 0 ADAERN CCc1nc(-c2ncccc2C)n[nH]1 51813404 572980157 /nfs/dbraw/zinc/98/01/57/572980157.db2.gz CGHUYZSLMNORNH-UHFFFAOYSA-N 0 0 188.234 1.738 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1C(=O)[O-] 299909055 572980163 /nfs/dbraw/zinc/98/01/63/572980163.db2.gz JRDXYGSMZWUFGT-LPEHRKFASA-N 0 0 199.294 1.826 10 0 ADAERN Cc1ccc(N(C)C[C@@H](C)O)c(N)c1 51819693 572980167 /nfs/dbraw/zinc/98/01/67/572980167.db2.gz ARJSOFZUADBLEE-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN C[C@H](O)CN(C)c1ccc(F)cc1N 51819653 572980191 /nfs/dbraw/zinc/98/01/91/572980191.db2.gz POJWCWWAMPUVMQ-ZETCQYMHSA-N 0 0 198.241 1.225 10 0 ADAERN CC[C@H](CC1CC1)N1CC(=O)NC1=O 86786401 572980206 /nfs/dbraw/zinc/98/02/06/572980206.db2.gz NSMVBJYVSATSCO-MRVPVSSYSA-N 0 0 196.250 1.117 10 0 ADAERN CC[C@@H](C)C[C@H](C)N1CC(=O)NC1=O 86786543 572980215 /nfs/dbraw/zinc/98/02/15/572980215.db2.gz FVWHDMNVOWLFPO-SFYZADRCSA-N 0 0 198.266 1.363 10 0 ADAERN O=Cc1ccc(OCCCCO)cn1 86792294 572980228 /nfs/dbraw/zinc/98/02/28/572980228.db2.gz ZFXOYVZIWSLFLH-UHFFFAOYSA-N 0 0 195.218 1.045 10 0 ADAERN CCC(CC)(CC)N1CC(=O)NC1=O 86787741 572980292 /nfs/dbraw/zinc/98/02/92/572980292.db2.gz XAZSJXMVRVJVQB-UHFFFAOYSA-N 0 0 198.266 1.507 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@H](C)C2CC2)[C@@H]1C(=O)[O-] 299906972 572980296 /nfs/dbraw/zinc/98/02/96/572980296.db2.gz GGWBKNCAKVKRAK-MRTMQBJTSA-N 0 0 197.278 1.580 10 0 ADAERN CCCCCN1C[C@@H](C)C(=O)NC1=O 86784839 572980310 /nfs/dbraw/zinc/98/03/10/572980310.db2.gz DJMYWJYQWFXUPL-MRVPVSSYSA-N 0 0 198.266 1.365 10 0 ADAERN C[C@@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@H]1C(=O)[O-] 299906974 572980321 /nfs/dbraw/zinc/98/03/21/572980321.db2.gz GGWBKNCAKVKRAK-WEDXCCLWSA-N 0 0 197.278 1.580 10 0 ADAERN Cc1nn(C)cc1[C@]1(O)[C@H]2CCC[C@H]21 299908880 572980339 /nfs/dbraw/zinc/98/03/39/572980339.db2.gz JHXANULRQBRZGH-DOFRTFSJSA-N 0 0 192.262 1.346 10 0 ADAERN CCCC[C@@H](C)N1CC(=O)NC1=O 86785863 572980348 /nfs/dbraw/zinc/98/03/48/572980348.db2.gz JVAWUTGPWNQROJ-SSDOTTSWSA-N 0 0 184.239 1.117 10 0 ADAERN CSCCC(=O)[C@H]1CCO[C@@H]1C 86758134 572980509 /nfs/dbraw/zinc/98/05/09/572980509.db2.gz ZCIFVIRUSCLRIZ-SFYZADRCSA-N 0 0 188.292 1.734 10 0 ADAERN CCCOC(=O)[C@H]1CCO[C@H]1C 86758903 572980524 /nfs/dbraw/zinc/98/05/24/572980524.db2.gz CFDMWLWEAJWCGO-YUMQZZPRSA-N 0 0 172.224 1.365 10 0 ADAERN CCCC[C@@H](C)N1CCC(=O)NC1=O 86785857 572980533 /nfs/dbraw/zinc/98/05/33/572980533.db2.gz CUQSCOHBDCLDHA-MRVPVSSYSA-N 0 0 198.266 1.507 10 0 ADAERN CC(C)COc1ccc(C=O)nc1 86792167 572980535 /nfs/dbraw/zinc/98/05/35/572980535.db2.gz SOKYMAVFDCSHQM-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN C/C=C/C(=O)N[C@H](CCO)C(C)(C)C 231076955 572980573 /nfs/dbraw/zinc/98/05/73/572980573.db2.gz FBNSMEIYMRJCBI-VUHVRTRXSA-N 0 0 199.294 1.476 10 0 ADAERN CCC(CC)[C@H](C)N1CC(=O)NC1=O 86786135 572980577 /nfs/dbraw/zinc/98/05/77/572980577.db2.gz OITFWQWEDMKWDT-ZETCQYMHSA-N 0 0 198.266 1.363 10 0 ADAERN CC[C@@H](C)C[C@@H](C)N1CC(=O)NC1=O 86786535 572980630 /nfs/dbraw/zinc/98/06/30/572980630.db2.gz FVWHDMNVOWLFPO-HTQZYQBOSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C)[C@H]1C(=O)[O-] 299909054 572980638 /nfs/dbraw/zinc/98/06/38/572980638.db2.gz JRDXYGSMZWUFGT-GUBZILKMSA-N 0 0 199.294 1.826 10 0 ADAERN CC[C@@H](CC1CC1)N1CC(=O)NC1=O 86786399 572980683 /nfs/dbraw/zinc/98/06/83/572980683.db2.gz NSMVBJYVSATSCO-QMMMGPOBSA-N 0 0 196.250 1.117 10 0 ADAERN CCC[C@@H](CC)N1CC(=O)NC1=O 86785884 572980687 /nfs/dbraw/zinc/98/06/87/572980687.db2.gz PUBVBYNGWBVHBR-SSDOTTSWSA-N 0 0 184.239 1.117 10 0 ADAERN CCC[C@H](CC)N1CC(=O)NC1=O 86785888 572980705 /nfs/dbraw/zinc/98/07/05/572980705.db2.gz PUBVBYNGWBVHBR-ZETCQYMHSA-N 0 0 184.239 1.117 10 0 ADAERN CCC[C@H](CC)N1CCC(=O)NC1=O 86785881 572980730 /nfs/dbraw/zinc/98/07/30/572980730.db2.gz YBHWEUOLNRFZRP-QMMMGPOBSA-N 0 0 198.266 1.507 10 0 ADAERN CC[C@@H](O)COc1ccc(C=O)nc1 86792175 572980747 /nfs/dbraw/zinc/98/07/47/572980747.db2.gz YJZORQHCBNVRHT-SECBINFHSA-N 0 0 195.218 1.044 10 0 ADAERN C[C@H](O)CN(C)c1cc(N)cc(F)c1 51819843 572980776 /nfs/dbraw/zinc/98/07/76/572980776.db2.gz QPFPMFQATUEMIL-ZETCQYMHSA-N 0 0 198.241 1.225 10 0 ADAERN CCCCCN1CCC(=O)NC1=O 86784844 572980800 /nfs/dbraw/zinc/98/08/00/572980800.db2.gz GMHQVHKFCJVMBO-UHFFFAOYSA-N 0 0 184.239 1.119 10 0 ADAERN CSCCC(=O)[C@@H]1CCO[C@H]1C 86758132 572980825 /nfs/dbraw/zinc/98/08/25/572980825.db2.gz ZCIFVIRUSCLRIZ-JGVFFNPUSA-N 0 0 188.292 1.734 10 0 ADAERN C[C@H]1CCN(c2nccs2)C[C@H]1O 299903335 572980840 /nfs/dbraw/zinc/98/08/40/572980840.db2.gz DKOHQMWYICFPCD-JGVFFNPUSA-N 0 0 198.291 1.350 10 0 ADAERN C[C@@H]1CC[N@H+](CC(C)(C)C)[C@H]1C(=O)[O-] 299904190 572980845 /nfs/dbraw/zinc/98/08/45/572980845.db2.gz BUEFPKMROUDULC-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN COCCCOc1ccc(C=O)nc1 86792148 572980859 /nfs/dbraw/zinc/98/08/59/572980859.db2.gz CLHYAKHKIVDYLI-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN CCCOC(=O)[C@H]1CCO[C@@H]1C 86758899 572980875 /nfs/dbraw/zinc/98/08/75/572980875.db2.gz CFDMWLWEAJWCGO-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN C/C=C/C[N@@H+]1CC[C@@H](C)[C@H]1C(=O)[O-] 299908863 572980892 /nfs/dbraw/zinc/98/08/92/572980892.db2.gz JFRMJMUDZKUSRE-BKIAHZASSA-N 0 0 183.251 1.358 10 0 ADAERN O[C@H](c1ccc(F)nc1)c1ccc[nH]1 686123596 572981710 /nfs/dbraw/zinc/98/17/10/572981710.db2.gz IMMUDDQMXAFEAS-SNVBAGLBSA-N 0 0 192.193 1.631 10 0 ADAERN Cc1csc([Si](C)(C)C)n1 196171360 572982681 /nfs/dbraw/zinc/98/26/81/572982681.db2.gz LJUAWJWWIKFMKD-UHFFFAOYSA-N 0 0 171.341 1.997 10 0 ADAERN CSCCC(=O)[C@H]1CCO[C@H]1C 86758135 572980980 /nfs/dbraw/zinc/98/09/80/572980980.db2.gz ZCIFVIRUSCLRIZ-YUMQZZPRSA-N 0 0 188.292 1.734 10 0 ADAERN Cc1cc(Cl)nn2c(C)nnc12 196130418 572981066 /nfs/dbraw/zinc/98/10/66/572981066.db2.gz XYQAUXYISANBJX-UHFFFAOYSA-N 0 0 182.614 1.395 10 0 ADAERN C[C@@H]1CCN(c2nccs2)C[C@H]1O 299903334 572981072 /nfs/dbraw/zinc/98/10/72/572981072.db2.gz DKOHQMWYICFPCD-HTQZYQBOSA-N 0 0 198.291 1.350 10 0 ADAERN C/C=C/COc1ccc(C=O)nc1 86792131 572981091 /nfs/dbraw/zinc/98/10/91/572981091.db2.gz DRFLTDVXMBJDMB-NSCUHMNNSA-N 0 0 177.203 1.849 10 0 ADAERN CC(C)CC[C@@H](C)N1CC(=O)NC1=O 86786496 572981093 /nfs/dbraw/zinc/98/10/93/572981093.db2.gz ATRHNRXYIYIRGQ-MRVPVSSYSA-N 0 0 198.266 1.363 10 0 ADAERN CSCCC(=O)[C@@H]1CCO[C@@H]1C 86758129 572981129 /nfs/dbraw/zinc/98/11/29/572981129.db2.gz ZCIFVIRUSCLRIZ-HTQZYQBOSA-N 0 0 188.292 1.734 10 0 ADAERN CCCOC(=O)[C@@H]1CCO[C@@H]1C 86758897 572981105 /nfs/dbraw/zinc/98/11/05/572981105.db2.gz CFDMWLWEAJWCGO-HTQZYQBOSA-N 0 0 172.224 1.365 10 0 ADAERN CC[C@H](C)C[C@H](C)N1CC(=O)NC1=O 86786546 572981117 /nfs/dbraw/zinc/98/11/17/572981117.db2.gz FVWHDMNVOWLFPO-YUMQZZPRSA-N 0 0 198.266 1.363 10 0 ADAERN Cc1cc(N(C)C[C@H](C)O)ccc1N 51819740 572981229 /nfs/dbraw/zinc/98/12/29/572981229.db2.gz JDIBPEDGEKGUSJ-VIFPVBQESA-N 0 0 194.278 1.394 10 0 ADAERN CCC(CC)[C@@H](C)N1CC(=O)NC1=O 86786134 572981269 /nfs/dbraw/zinc/98/12/69/572981269.db2.gz OITFWQWEDMKWDT-SSDOTTSWSA-N 0 0 198.266 1.363 10 0 ADAERN Cc1csc(N(C)C[C@H](C)O)n1 51821216 572981271 /nfs/dbraw/zinc/98/12/71/572981271.db2.gz CIMXAFUJTDDKGV-ZETCQYMHSA-N 0 0 186.280 1.269 10 0 ADAERN CC[C@H](O)COc1ccc(C=O)nc1 86792173 572981249 /nfs/dbraw/zinc/98/12/49/572981249.db2.gz YJZORQHCBNVRHT-VIFPVBQESA-N 0 0 195.218 1.044 10 0 ADAERN Cc1ccc(N(C)C[C@H](C)O)c(N)c1 51819694 572981255 /nfs/dbraw/zinc/98/12/55/572981255.db2.gz ARJSOFZUADBLEE-VIFPVBQESA-N 0 0 194.278 1.394 10 0 ADAERN NOCC1CCCCCC1 116917431 572981259 /nfs/dbraw/zinc/98/12/59/572981259.db2.gz PKFKKAIRTSSSTN-UHFFFAOYSA-N 0 0 143.230 1.847 10 0 ADAERN C[C@H]1CC[N@H+](CC(C)(C)C)[C@H]1C(=O)[O-] 299904189 572981312 /nfs/dbraw/zinc/98/13/12/572981312.db2.gz BUEFPKMROUDULC-DTWKUNHWSA-N 0 0 199.294 1.828 10 0 ADAERN CCCCCCN1CCC(=O)NC1=O 86786574 572981327 /nfs/dbraw/zinc/98/13/27/572981327.db2.gz CRMKIPJLBABHNE-UHFFFAOYSA-N 0 0 198.266 1.509 10 0 ADAERN CC(C)CC[C@H](C)N1CC(=O)NC1=O 86786498 572981340 /nfs/dbraw/zinc/98/13/40/572981340.db2.gz ATRHNRXYIYIRGQ-QMMMGPOBSA-N 0 0 198.266 1.363 10 0 ADAERN CCCOC(=O)[C@@H]1CCO[C@H]1C 86758901 572981344 /nfs/dbraw/zinc/98/13/44/572981344.db2.gz CFDMWLWEAJWCGO-JGVFFNPUSA-N 0 0 172.224 1.365 10 0 ADAERN CON(Cl)C(=O)c1ccccc1 196131372 572981347 /nfs/dbraw/zinc/98/13/47/572981347.db2.gz AVIKJINWXZGPDE-UHFFFAOYSA-N 0 0 185.610 1.844 10 0 ADAERN Cc1cc(N(C)C[C@@H](C)O)ccc1N 51819739 572981355 /nfs/dbraw/zinc/98/13/55/572981355.db2.gz JDIBPEDGEKGUSJ-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN CCCC[C@H](C)N1CC(=O)NC1=O 86785866 572981359 /nfs/dbraw/zinc/98/13/59/572981359.db2.gz JVAWUTGPWNQROJ-ZETCQYMHSA-N 0 0 184.239 1.117 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]1C(=O)[O-] 299909056 572981361 /nfs/dbraw/zinc/98/13/61/572981361.db2.gz JRDXYGSMZWUFGT-UTLUCORTSA-N 0 0 199.294 1.826 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1CC(=O)NC1=O 86786538 572981373 /nfs/dbraw/zinc/98/13/73/572981373.db2.gz FVWHDMNVOWLFPO-JGVFFNPUSA-N 0 0 198.266 1.363 10 0 ADAERN CCOCCOc1ccc(C=O)nc1 86792178 572981416 /nfs/dbraw/zinc/98/14/16/572981416.db2.gz IKZNZDYEQMJZHC-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN CCC[C@@H](CC)N1CCC(=O)NC1=O 86785879 572981449 /nfs/dbraw/zinc/98/14/49/572981449.db2.gz YBHWEUOLNRFZRP-MRVPVSSYSA-N 0 0 198.266 1.507 10 0 ADAERN C/C=C/C[N@@H+]1CC[C@H](C)[C@H]1C(=O)[O-] 299908864 572981488 /nfs/dbraw/zinc/98/14/88/572981488.db2.gz JFRMJMUDZKUSRE-FBFNWGNUSA-N 0 0 183.251 1.358 10 0 ADAERN CC(C)(O)COc1ccc(C=O)nc1 86792354 572981545 /nfs/dbraw/zinc/98/15/45/572981545.db2.gz FMIMXWNSGMDJRM-UHFFFAOYSA-N 0 0 195.218 1.044 10 0 ADAERN O=Cc1ccc(OCC(F)F)cn1 86792345 572981553 /nfs/dbraw/zinc/98/15/53/572981553.db2.gz WNBDTNXMLVEDMR-UHFFFAOYSA-N 0 0 187.145 1.538 10 0 ADAERN CCOCOc1ccc(C=O)nc1 86792357 572981554 /nfs/dbraw/zinc/98/15/54/572981554.db2.gz BWTFFAPNHPQONK-UHFFFAOYSA-N 0 0 181.191 1.267 10 0 ADAERN O[C@@H](c1ccc(F)nc1)c1ccc[nH]1 686123595 572981585 /nfs/dbraw/zinc/98/15/85/572981585.db2.gz 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COc1ccc([C@@H](C)[NH3+])c(OC)n1 104525549 572994108 /nfs/dbraw/zinc/99/41/08/572994108.db2.gz QVXLOSBPUAZKDX-ZCFIWIBFSA-N 0 0 182.223 1.119 10 0 ADAERN C/C=C/C(=O)N1CC[C@@H](C)C1 82353578 572994596 /nfs/dbraw/zinc/99/45/96/572994596.db2.gz CMKLTLQIRZLPHK-MPJRPATESA-N 0 0 153.225 1.431 10 0 ADAERN CCCNc1cc(NC)[nH+]c(CC)n1 87906176 572994626 /nfs/dbraw/zinc/99/46/26/572994626.db2.gz OLVOVVKQUDZHJC-UHFFFAOYSA-N 0 0 194.282 1.903 10 0 ADAERN CC(=O)[C@@H]1Cc2ccc(C)cc2O1 258206050 572994605 /nfs/dbraw/zinc/99/46/05/572994605.db2.gz UWLCREBTGAUMES-JTQLQIEISA-N 0 0 176.215 1.888 10 0 ADAERN CC(C)c1nc(N(C)C)cc(N)[nH+]1 87908892 572994610 /nfs/dbraw/zinc/99/46/10/572994610.db2.gz MKAJVJGEGIVLNJ-UHFFFAOYSA-N 0 0 180.255 1.248 10 0 ADAERN CC[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H]1C 238241415 572994611 /nfs/dbraw/zinc/99/46/11/572994611.db2.gz QQHJPACOUOTXKM-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CCCCC[C@@]1(C)NCC(=O)N1C 308217419 572994616 /nfs/dbraw/zinc/99/46/16/572994616.db2.gz JVWFRACRFDIDLD-JTQLQIEISA-N 0 0 184.283 1.345 10 0 ADAERN Cn1c(Cl)nc2ncncc21 257916708 572992628 /nfs/dbraw/zinc/99/26/28/572992628.db2.gz BOMRARARYXKLTN-UHFFFAOYSA-N 0 0 168.587 1.017 10 0 ADAERN CCC(=O)NC(C)(C)c1cccnc1 82353100 572994785 /nfs/dbraw/zinc/99/47/85/572994785.db2.gz HQQBRCBAGFBLKB-UHFFFAOYSA-N 0 0 192.262 1.843 10 0 ADAERN CCC[C@H](C)CC(=O)N1CCCO1 308215725 572992432 /nfs/dbraw/zinc/99/24/32/572992432.db2.gz JGXOJCCYFKNWEH-VIFPVBQESA-N 0 0 185.267 1.977 10 0 ADAERN CCN(CC(F)F)c1cccnn1 308216018 572992445 /nfs/dbraw/zinc/99/24/45/572992445.db2.gz JLEKIQLEUIPRCI-UHFFFAOYSA-N 0 0 187.193 1.568 10 0 ADAERN CC(C)Cc1nc(C[C@H](C)O)co1 258207130 572992997 /nfs/dbraw/zinc/99/29/97/572992997.db2.gz UEPJYDSHJVPWTC-QMMMGPOBSA-N 0 0 183.251 1.796 10 0 ADAERN COCCCC(=O)OC[C@@H]1C[C@H]1C 308216632 572992477 /nfs/dbraw/zinc/99/24/77/572992477.db2.gz AHSRKCICEHHFKV-BDAKNGLRSA-N 0 0 186.251 1.612 10 0 ADAERN CCOC(=O)/C=C\[C@H](C)C[C@@H](C)O 308215517 572992497 /nfs/dbraw/zinc/99/24/97/572992497.db2.gz ZNLNJQSJZHYLPJ-FEDQFDDPSA-N 0 0 186.251 1.513 10 0 ADAERN C[C@@]1(c2nc(O)c[nH]2)CCCO1 235435660 572992500 /nfs/dbraw/zinc/99/25/00/572992500.db2.gz AGSIDSHNVPLHEA-QMMMGPOBSA-N 0 0 168.196 1.141 10 0 ADAERN CNc1nc(C2CC2)[nH+]c(N)c1C 87917942 572994646 /nfs/dbraw/zinc/99/46/46/572994646.db2.gz LFQHNSSWPMSOPZ-UHFFFAOYSA-N 0 0 178.239 1.286 10 0 ADAERN C[C@H](O)c1cccc2c1CCN2C 257921358 572994647 /nfs/dbraw/zinc/99/46/47/572994647.db2.gz OORXOVOQQFCDGM-QMMMGPOBSA-N 0 0 177.247 1.732 10 0 ADAERN CC(C)Cc1nc(C[C@@H](C)O)co1 258207129 572994648 /nfs/dbraw/zinc/99/46/48/572994648.db2.gz UEPJYDSHJVPWTC-MRVPVSSYSA-N 0 0 183.251 1.796 10 0 ADAERN CCC[C@@H]1C[C@@H]1C(=O)NCCCF 308216408 572992569 /nfs/dbraw/zinc/99/25/69/572992569.db2.gz JQNMQBAKXJNTSY-BDAKNGLRSA-N 0 0 187.258 1.898 10 0 ADAERN CCc1nc(NC)cc(NC)[nH+]1 87906204 572993942 /nfs/dbraw/zinc/99/39/42/572993942.db2.gz MRWUFQYRJVWFOC-UHFFFAOYSA-N 0 0 166.228 1.122 10 0 ADAERN COc1c(C=O)cc(C)c(C)c1O 257916769 572992688 /nfs/dbraw/zinc/99/26/88/572992688.db2.gz QYLAIIULYGTCGN-UHFFFAOYSA-N 0 0 180.203 1.830 10 0 ADAERN COc1ccc([C@H]2CNOC2)cc1 257916876 572992661 /nfs/dbraw/zinc/99/26/61/572992661.db2.gz QYZBQQFKBIGZIQ-VIFPVBQESA-N 0 0 179.219 1.314 10 0 ADAERN CC[C@@H]1CCC[C@@H](OC(=O)CO)C1 308216281 572992665 /nfs/dbraw/zinc/99/26/65/572992665.db2.gz JMQNVXCHCIBKHF-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN ONCCc1ccc(Cl)cc1 257917026 572992680 /nfs/dbraw/zinc/99/26/80/572992680.db2.gz QZZCAJMYYWCACN-UHFFFAOYSA-N 0 0 171.627 1.861 10 0 ADAERN CC(C)c1nc(NC2CC2)cc(N)[nH+]1 87908940 572993974 /nfs/dbraw/zinc/99/39/74/572993974.db2.gz QXSPMWGXGYVSCZ-UHFFFAOYSA-N 0 0 192.266 1.757 10 0 ADAERN COC(=O)[C@@H](c1ccc[nH]1)C(C)C 259303622 572994004 /nfs/dbraw/zinc/99/40/04/572994004.db2.gz QNUUQHYPBLKEGP-SECBINFHSA-N 0 0 181.235 1.927 10 0 ADAERN C/C=C/C(=O)N1CC[C@H](C)C1 82353576 572992795 /nfs/dbraw/zinc/99/27/95/572992795.db2.gz CMKLTLQIRZLPHK-RTMURIBGSA-N 0 0 153.225 1.431 10 0 ADAERN Cc1nn(C)c2cc([C@H](C)O)ccc12 258207593 572992803 /nfs/dbraw/zinc/99/28/03/572992803.db2.gz ZCTLEZOTAILBAT-QMMMGPOBSA-N 0 0 190.246 1.935 10 0 ADAERN CC[C@@H](C)OC(=O)[C@H](CO)C(C)C 308216893 572992826 /nfs/dbraw/zinc/99/28/26/572992826.db2.gz JSLMFHCDQKYEQO-RKDXNWHRSA-N 0 0 188.267 1.593 10 0 ADAERN COC(=O)Nc1cncc(F)c1 82356095 572992839 /nfs/dbraw/zinc/99/28/39/572992839.db2.gz ISCBULYLOJSGIE-UHFFFAOYSA-N 0 0 170.143 1.399 10 0 ADAERN COc1cc2c(c([C@H](C)O)c1)OCO2 258207571 572992848 /nfs/dbraw/zinc/99/28/48/572992848.db2.gz ZCHRMCYZLRIVQZ-LURJTMIESA-N 0 0 196.202 1.477 10 0 ADAERN CCCC/C=C/[C@@H](O)C(=O)OCC 308215911 572992868 /nfs/dbraw/zinc/99/28/68/572992868.db2.gz ZRUKPUMYRCOOHW-FCZSHJHJSA-N 0 0 186.251 1.657 10 0 ADAERN COCCCC(=O)OC[C@H]1C[C@H]1C 308216639 572992873 /nfs/dbraw/zinc/99/28/73/572992873.db2.gz AHSRKCICEHHFKV-RKDXNWHRSA-N 0 0 186.251 1.612 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)NCC(C)C 308216413 572992882 /nfs/dbraw/zinc/99/28/82/572992882.db2.gz JQOYCMOVNITWTH-BDAKNGLRSA-N 0 0 184.283 1.740 10 0 ADAERN Cc1cc(C)c(CCON)c(O)c1 257916704 572992893 /nfs/dbraw/zinc/99/28/93/572992893.db2.gz BOMLHLFBJMOAOO-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)NCC(C)C 308216780 572992897 /nfs/dbraw/zinc/99/28/97/572992897.db2.gz JQOYCMOVNITWTH-IUCAKERBSA-N 0 0 184.283 1.740 10 0 ADAERN C[C@@H](CF)NCc1ccc(O)cn1 308217291 572992907 /nfs/dbraw/zinc/99/29/07/572992907.db2.gz ARCLLEWBXPBKLB-ZETCQYMHSA-N 0 0 184.214 1.235 10 0 ADAERN CCCNC(=O)NCc1ccc[nH]1 82358902 572992913 /nfs/dbraw/zinc/99/29/13/572992913.db2.gz YMPJVSZHSOZNTP-UHFFFAOYSA-N 0 0 181.239 1.224 10 0 ADAERN OCc1cnc(C[C@@H]2CCSC2)o1 257916100 572992926 /nfs/dbraw/zinc/99/29/26/572992926.db2.gz CXQHIVOCHPZDLR-ZETCQYMHSA-N 0 0 199.275 1.463 10 0 ADAERN Cc1cc(F)c([C@@H](C)CO)cc1O 258207350 572992951 /nfs/dbraw/zinc/99/29/51/572992951.db2.gz YXDAREAHLDXPDH-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN OC[C@@]1(c2ccccc2)CC[C@@H](O)C1 257917144 572992999 /nfs/dbraw/zinc/99/29/99/572992999.db2.gz BQXUJJOGJWMDAM-VXGBXAGGSA-N 0 0 192.258 1.462 10 0 ADAERN CCC(=O)Nc1cnc2[nH]cnc2c1 82352398 572993011 /nfs/dbraw/zinc/99/30/11/572993011.db2.gz WJPDMLZNTLPEAJ-UHFFFAOYSA-N 0 0 190.206 1.306 10 0 ADAERN CCOC(=O)Nc1cncc(F)c1 82356096 572993022 /nfs/dbraw/zinc/99/30/22/572993022.db2.gz JSGAGHMDXWCDDD-UHFFFAOYSA-N 0 0 184.170 1.789 10 0 ADAERN Cc1ccc2c(c1)CO[C@](C)(CO)O2 258208451 572993036 /nfs/dbraw/zinc/99/30/36/572993036.db2.gz NYUQUWJAUMJARE-NSHDSACASA-N 0 0 194.230 1.613 10 0 ADAERN COC(=O)[C@@H](SC)C(C)C 259302783 572994015 /nfs/dbraw/zinc/99/40/15/572994015.db2.gz UMPJLTKPFLSDIL-LURJTMIESA-N 0 0 162.254 1.547 10 0 ADAERN CCC[C@H](NN)c1ccc(F)cn1 128339834 572993097 /nfs/dbraw/zinc/99/30/97/572993097.db2.gz MJYLDLRZABDRTR-VIFPVBQESA-N 0 0 183.230 1.525 10 0 ADAERN CC(C)c1nc(C[C@@H](C)O)no1 257916966 572993103 /nfs/dbraw/zinc/99/31/03/572993103.db2.gz FXWFSTUXTKMMBM-ZCFIWIBFSA-N 0 0 170.212 1.116 10 0 ADAERN CC(=O)c1cnc([C@@H]2CCCN2C)o1 257921704 572993115 /nfs/dbraw/zinc/99/31/15/572993115.db2.gz DHNRSCHVVPIQOU-QMMMGPOBSA-N 0 0 194.234 1.644 10 0 ADAERN CCC(=O)NC(C)(C)c1ccccn1 82353292 572993116 /nfs/dbraw/zinc/99/31/16/572993116.db2.gz JKEBBGBGBMSRGC-UHFFFAOYSA-N 0 0 192.262 1.843 10 0 ADAERN Cc1ccc(Cl)c(O)c1CON 258207336 572993127 /nfs/dbraw/zinc/99/31/27/572993127.db2.gz YWYWDHWYBXSRJZ-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN CC1(C)CCC[NH2+][C@H](C(=O)[O-])C1 257917060 572993130 /nfs/dbraw/zinc/99/31/30/572993130.db2.gz RAJYPXOYUAJQPQ-ZETCQYMHSA-N 0 0 171.240 1.239 10 0 ADAERN CCc1cc(F)c(OC)c(CNO)c1 258208181 572993136 /nfs/dbraw/zinc/99/31/36/572993136.db2.gz TUFXTECKMKBRCJ-UHFFFAOYSA-N 0 0 199.225 1.876 10 0 ADAERN CCC[C@@H](C)CC(=O)N1CCCO1 308215724 572993142 /nfs/dbraw/zinc/99/31/42/572993142.db2.gz JGXOJCCYFKNWEH-SECBINFHSA-N 0 0 185.267 1.977 10 0 ADAERN C[C@@]1(C2CCCC2)CNC(=O)OC1 257922196 572993173 /nfs/dbraw/zinc/99/31/73/572993173.db2.gz ROSPSEVDBCROSM-SNVBAGLBSA-N 0 0 183.251 1.923 10 0 ADAERN CCC[C@@H](NN)c1ccc(F)cn1 128340069 572993175 /nfs/dbraw/zinc/99/31/75/572993175.db2.gz MJYLDLRZABDRTR-SECBINFHSA-N 0 0 183.230 1.525 10 0 ADAERN O=C1C=CC[C@H](CCCCCO)O1 308216673 572993182 /nfs/dbraw/zinc/99/31/82/572993182.db2.gz MPOMEWPQZJGCKG-VIFPVBQESA-N 0 0 184.235 1.411 10 0 ADAERN Cn1cc(N)nc1N1CCCCCC1 257916273 572993186 /nfs/dbraw/zinc/99/31/86/572993186.db2.gz QNTMTVHHKYRTJG-UHFFFAOYSA-N 0 0 194.282 1.383 10 0 ADAERN Cc1ccc2c(c1)CO[C@@](C)(CO)O2 258208447 572993221 /nfs/dbraw/zinc/99/32/21/572993221.db2.gz NYUQUWJAUMJARE-LLVKDONJSA-N 0 0 194.230 1.613 10 0 ADAERN COc1ccc2c(c1)[C@H](OC)C2 258470583 572993236 /nfs/dbraw/zinc/99/32/36/572993236.db2.gz IGLCAGPSDDSBAX-SNVBAGLBSA-N 0 0 164.204 1.939 10 0 ADAERN COc1cc(CNO)ccc1C 257917478 572993252 /nfs/dbraw/zinc/99/32/52/572993252.db2.gz BSVXHMYQKYEJRZ-UHFFFAOYSA-N 0 0 167.208 1.482 10 0 ADAERN Nc1cc(C2CCC2)n[nH]c1=O 257916933 572993284 /nfs/dbraw/zinc/99/32/84/572993284.db2.gz JMEDNDALEHNYID-UHFFFAOYSA-N 0 0 165.196 1.032 10 0 ADAERN CCc1nc(N)cc(OC2CCC2)n1 87906634 572993297 /nfs/dbraw/zinc/99/32/97/572993297.db2.gz MIWIMWQUSDJNFM-UHFFFAOYSA-N 0 0 193.250 1.553 10 0 ADAERN C[C@@H](O)Cc1cc(F)c(F)cc1O 258205364 572993305 /nfs/dbraw/zinc/99/33/05/572993305.db2.gz YWMKYMSLKUVMIF-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN C[C@@]1(c2nc(O)c[nH]2)CCCCO1 235435635 572993312 /nfs/dbraw/zinc/99/33/12/572993312.db2.gz OZZMNYMZDASVOP-VIFPVBQESA-N 0 0 182.223 1.531 10 0 ADAERN C[C@H](CO)c1ccc2[nH]ccc2c1O 258207375 572993327 /nfs/dbraw/zinc/99/33/27/572993327.db2.gz YYAPAMXAAYJVAH-SSDOTTSWSA-N 0 0 191.230 1.969 10 0 ADAERN CC[C@H](F)COC(=O)c1ccc[nH]1 308216374 572993335 /nfs/dbraw/zinc/99/33/35/572993335.db2.gz JPNYIFRFRAZRIU-ZETCQYMHSA-N 0 0 185.198 1.920 10 0 ADAERN CC(C)Oc1cc(N)nc(C2CC2)n1 87909266 572994804 /nfs/dbraw/zinc/99/48/04/572994804.db2.gz BBABFYJFISCVDO-UHFFFAOYSA-N 0 0 193.250 1.723 10 0 ADAERN CC(=O)CC[C@@]1(C(C)=O)CCCC1=O 36438520 572993372 /nfs/dbraw/zinc/99/33/72/572993372.db2.gz KFJLFJDSYXLHMK-LLVKDONJSA-N 0 0 196.246 1.684 10 0 ADAERN Cc1nnn(-c2ccccc2)c1C=O 257916662 572993383 /nfs/dbraw/zinc/99/33/83/572993383.db2.gz QXOONYQKCNDJKQ-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN CSc1ccc(C)c(O)c1CO 258207524 572993384 /nfs/dbraw/zinc/99/33/84/572993384.db2.gz ZBFRKHGKPKDDDO-UHFFFAOYSA-N 0 0 184.260 1.915 10 0 ADAERN O=Cc1cnnn1C1CCCC1 258470643 572993404 /nfs/dbraw/zinc/99/34/04/572993404.db2.gz IHQSAPOUJLUIHR-UHFFFAOYSA-N 0 0 165.196 1.206 10 0 ADAERN OC[C@]1(c2ccccc2)CC[C@H](O)C1 257917140 572993405 /nfs/dbraw/zinc/99/34/05/572993405.db2.gz BQXUJJOGJWMDAM-RYUDHWBXSA-N 0 0 192.258 1.462 10 0 ADAERN CCCC/C=C\[C@@H](O)C(=O)OCC 308215914 572993414 /nfs/dbraw/zinc/99/34/14/572993414.db2.gz ZRUKPUMYRCOOHW-UFGYOYAJSA-N 0 0 186.251 1.657 10 0 ADAERN c1coc(-n2nnc3cnccc32)c1 258207181 572993423 /nfs/dbraw/zinc/99/34/23/572993423.db2.gz GBWNUAJKBIQNDX-UHFFFAOYSA-N 0 0 186.174 1.409 10 0 ADAERN CNc1nc(C(C)(C)C)[nH+]c(N)c1C 87917931 572993433 /nfs/dbraw/zinc/99/34/33/572993433.db2.gz SQZXIKPZMYUIPI-UHFFFAOYSA-N 0 0 194.282 1.706 10 0 ADAERN CCCNc1cc(=O)[nH]c(C(C)C)n1 87909297 572993445 /nfs/dbraw/zinc/99/34/45/572993445.db2.gz DTOJCFHRNBZGDB-UHFFFAOYSA-N 0 0 195.266 1.715 10 0 ADAERN C[C@@H](O)c1cccc2c1CCN2C 257921357 572993447 /nfs/dbraw/zinc/99/34/47/572993447.db2.gz OORXOVOQQFCDGM-MRVPVSSYSA-N 0 0 177.247 1.732 10 0 ADAERN CC(C)([NH3+])c1ccc(F)c([O-])c1F 258207417 572993469 /nfs/dbraw/zinc/99/34/69/572993469.db2.gz YZDMDYLDJDOORD-UHFFFAOYSA-N 0 0 187.189 1.864 10 0 ADAERN C[C@H](C(=O)N(C)C[C@@H](C)CO)C1CC1 688722284 572993475 /nfs/dbraw/zinc/99/34/75/572993475.db2.gz VWPRVWCMYBGCBP-BDAKNGLRSA-N 0 0 199.294 1.119 10 0 ADAERN CCCNc1cc(N)[nH+]c(CC)n1 87906173 572993479 /nfs/dbraw/zinc/99/34/79/572993479.db2.gz RIRCPKNQECNKKR-UHFFFAOYSA-N 0 0 180.255 1.443 10 0 ADAERN Nc1[nH]ccc1C(=O)NC1CCCC1 257916534 572993490 /nfs/dbraw/zinc/99/34/90/572993490.db2.gz MWUOPGGBLRPEQU-UHFFFAOYSA-N 0 0 193.250 1.269 10 0 ADAERN O=Cc1cnc(C[C@@H]2CCCS2)o1 258207086 572993497 /nfs/dbraw/zinc/99/34/97/572993497.db2.gz UDUKLOMBGPZCKW-QMMMGPOBSA-N 0 0 197.259 1.925 10 0 ADAERN CC[C@H](F)COc1cccc[n+]1[O-] 308216389 572993512 /nfs/dbraw/zinc/99/35/12/572993512.db2.gz JPWKWACMQIEEJK-QMMMGPOBSA-N 0 0 185.198 1.447 10 0 ADAERN CC(=O)COC(=O)[C@H]1C[C@@H]1C(F)F 393493190 572993541 /nfs/dbraw/zinc/99/35/41/572993541.db2.gz WBBQYOSVVKIJQG-WDSKDSINSA-N 0 0 192.161 1.020 10 0 ADAERN COc1ccc2c(c1)[C@@H]([C@H](C)O)CN2 258208032 572993555 /nfs/dbraw/zinc/99/35/55/572993555.db2.gz VAEOFIVPTXSLHR-OIBJUYFYSA-N 0 0 193.246 1.585 10 0 ADAERN O=Cc1cnc(C[C@H]2CCCS2)o1 258207085 572993570 /nfs/dbraw/zinc/99/35/70/572993570.db2.gz UDUKLOMBGPZCKW-MRVPVSSYSA-N 0 0 197.259 1.925 10 0 ADAERN Cc1c(O)ccc(CCO)c1C 257916954 572993579 /nfs/dbraw/zinc/99/35/79/572993579.db2.gz BQCBZQLPJIJMSH-UHFFFAOYSA-N 0 0 166.220 1.544 10 0 ADAERN CC[C@@H]1CCC[C@H](OC(=O)CO)C1 308216046 572993581 /nfs/dbraw/zinc/99/35/81/572993581.db2.gz JMQNVXCHCIBKHF-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN O=c1oc2cc(CO)c(O)cc2s1 258207490 572993585 /nfs/dbraw/zinc/99/35/85/572993585.db2.gz ZAXKSZJJQDDOJF-UHFFFAOYSA-N 0 0 198.199 1.052 10 0 ADAERN CCc1nc(NC(C)(C)C)cc(N)[nH+]1 87906134 572993592 /nfs/dbraw/zinc/99/35/92/572993592.db2.gz ANQYZRJIPJDISJ-UHFFFAOYSA-N 0 0 194.282 1.832 10 0 ADAERN CC(=O)[C@H](O)c1ccc(C)o1 259302605 572994119 /nfs/dbraw/zinc/99/41/19/572994119.db2.gz WZSOOIYRQGOFBL-QMMMGPOBSA-N 0 0 154.165 1.210 10 0 ADAERN CNc1nc(C2CC2)nc(OC)c1C 87918175 572993641 /nfs/dbraw/zinc/99/36/41/572993641.db2.gz ZLDXYYYAWVFGPV-UHFFFAOYSA-N 0 0 193.250 1.713 10 0 ADAERN C[C@@H]1Cc2ccc(CON)cc2O1 258208139 572993647 /nfs/dbraw/zinc/99/36/47/572993647.db2.gz VBKVTICNJKNFQZ-SSDOTTSWSA-N 0 0 179.219 1.400 10 0 ADAERN CCCc1nc(NC)c(C)c(OC)n1 87918185 572993648 /nfs/dbraw/zinc/99/36/48/572993648.db2.gz CWKOJDSZKZESJY-UHFFFAOYSA-N 0 0 195.266 1.788 10 0 ADAERN CCc1nc(N)cc(OC(C)(C)C)n1 87906567 572993653 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87918056 572993683 /nfs/dbraw/zinc/99/36/83/572993683.db2.gz SZWYFPVHOGEDBI-UHFFFAOYSA-N 0 0 166.228 1.073 10 0 ADAERN CC(C)c1c(N)nc(N)nc1Cl 104527670 572993686 /nfs/dbraw/zinc/99/36/86/572993686.db2.gz DQGRTVAHRURAFP-UHFFFAOYSA-N 0 0 186.646 1.418 10 0 ADAERN C=CO[C@@H]1CCCO[C@@H]1CCCO 308215836 572993693 /nfs/dbraw/zinc/99/36/93/572993693.db2.gz ZRAYEBNGGPGWNJ-NXEZZACHSA-N 0 0 186.251 1.467 10 0 ADAERN O=C1CC(OCCC(F)(F)F)C1 131831910 572993722 /nfs/dbraw/zinc/99/37/22/572993722.db2.gz MLILKRQBLOLKQY-UHFFFAOYSA-N 0 0 182.141 1.687 10 0 ADAERN CCc1nc(Cl)c(C)c(=O)[nH]1 87917393 572993748 /nfs/dbraw/zinc/99/37/48/572993748.db2.gz AHQBHUFTCDHAJM-UHFFFAOYSA-N 0 0 172.615 1.294 10 0 ADAERN N[C@H](c1ccc(F)nc1)C(F)(F)F 104528168 572994807 /nfs/dbraw/zinc/99/48/07/572994807.db2.gz HIPYQSVVTBRKOV-ZCFIWIBFSA-N 0 0 194.131 1.783 10 0 ADAERN COC(=O)c1[nH]c(=S)[nH]c1C1CC1 258207202 572993752 /nfs/dbraw/zinc/99/37/52/572993752.db2.gz WACCLEVYCJUAML-UHFFFAOYSA-N 0 0 198.247 1.362 10 0 ADAERN 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/nfs/dbraw/zinc/99/38/77/572993877.db2.gz ZTKFRJMUHUINEK-ZCFIWIBFSA-N 0 0 189.218 1.650 10 0 ADAERN C[N@@H+]1CCC[C@H](/C=C\CC(=O)[O-])C1 258207989 572993884 /nfs/dbraw/zinc/99/38/84/572993884.db2.gz NTXVYQRMGUBNDI-MDHMXLOGSA-N 0 0 183.251 1.359 10 0 ADAERN Oc1cc(O)cc([C@@H]2CCCC[NH2+]2)c1 104529781 572993952 /nfs/dbraw/zinc/99/39/52/572993952.db2.gz JNJATGVMVAAYOC-NSHDSACASA-N 0 0 193.246 1.912 10 0 ADAERN CC[C@H]1CCC[C@H](OC(=O)CO)C1 308216279 572993955 /nfs/dbraw/zinc/99/39/55/572993955.db2.gz JMQNVXCHCIBKHF-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN CCOC(=O)C([NH3+])(C1CC1)C1CC1 308216518 572994821 /nfs/dbraw/zinc/99/48/21/572994821.db2.gz ZZFVGDSCFQZZOY-UHFFFAOYSA-N 0 0 183.251 1.067 10 0 ADAERN O=C1CC[C@H](C2CCC2)N1 258526182 572994034 /nfs/dbraw/zinc/99/40/34/572994034.db2.gz MVPPRINOJPLZQV-SSDOTTSWSA-N 0 0 139.198 1.065 10 0 ADAERN CCc1nc(N(C)CC)cc(N)[nH+]1 87906247 572994041 /nfs/dbraw/zinc/99/40/41/572994041.db2.gz PEFFYBADGGNMRV-UHFFFAOYSA-N 0 0 180.255 1.077 10 0 ADAERN 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[NH3+][C@@H](c1ccc(C(=O)[O-])nc1)C1CC1 104525008 572994332 /nfs/dbraw/zinc/99/43/32/572994332.db2.gz RTHCTLCYKHJYBC-SECBINFHSA-N 0 0 192.218 1.190 10 0 ADAERN COC(=O)[C@@]1(C)Cc2ccccc2N1 258208531 572994335 /nfs/dbraw/zinc/99/43/35/572994335.db2.gz OQHXCGCAMAJULZ-LLVKDONJSA-N 0 0 191.230 1.586 10 0 ADAERN CCNc1cc(=O)[nH]c(C2CC2)n1 87909298 572994339 /nfs/dbraw/zinc/99/43/39/572994339.db2.gz BITCABTVNJTQOX-UHFFFAOYSA-N 0 0 179.223 1.079 10 0 ADAERN COc1nc(C2CC2)nc(N)c1C 87918174 572994371 /nfs/dbraw/zinc/99/43/71/572994371.db2.gz WQMSDCMQUBZADE-UHFFFAOYSA-N 0 0 179.223 1.253 10 0 ADAERN CCNc1nc(C(C)C)[nH+]c(N)c1C 87917947 572994379 /nfs/dbraw/zinc/99/43/79/572994379.db2.gz AIIFDVNLTLDVRZ-UHFFFAOYSA-N 0 0 194.282 1.922 10 0 ADAERN CS(=O)(=O)Cc1cccc(C=O)c1 257922187 572994413 /nfs/dbraw/zinc/99/44/13/572994413.db2.gz YILBIFTXQFDWAC-UHFFFAOYSA-N 0 0 198.243 1.044 10 0 ADAERN C[NH2+][C@H](CO)c1ccc2[nH]ccc2c1 104525638 572994473 /nfs/dbraw/zinc/99/44/73/572994473.db2.gz XBFMHZHSIFIXOV-LLVKDONJSA-N 0 0 190.246 1.421 10 0 ADAERN C/C=C(\C)C(=O)O[C@@H](C)C(=O)OC 308216668 572994475 /nfs/dbraw/zinc/99/44/75/572994475.db2.gz AIHBEWAZSVSGHQ-XPPMVYLVSA-N 0 0 186.207 1.057 10 0 ADAERN C[C@]1(C2CCCC2)CNC(=O)OC1 257922194 572994478 /nfs/dbraw/zinc/99/44/78/572994478.db2.gz ROSPSEVDBCROSM-JTQLQIEISA-N 0 0 183.251 1.923 10 0 ADAERN CCCNc1cc(=O)[nH]c(CC)n1 87906606 572994482 /nfs/dbraw/zinc/99/44/82/572994482.db2.gz PWOZGPXBVIXNDV-UHFFFAOYSA-N 0 0 181.239 1.154 10 0 ADAERN C[C@H]1Cc2ccc(CON)cc2O1 258208141 572994485 /nfs/dbraw/zinc/99/44/85/572994485.db2.gz VBKVTICNJKNFQZ-ZETCQYMHSA-N 0 0 179.219 1.400 10 0 ADAERN OCCc1cc(O)ccc1Cl 257917169 572994489 /nfs/dbraw/zinc/99/44/89/572994489.db2.gz BRLGAIBFXJPFCH-UHFFFAOYSA-N 0 0 172.611 1.580 10 0 ADAERN CCC(=O)c1cc(N)c(O)cc1C 238241203 572995023 /nfs/dbraw/zinc/99/50/23/572995023.db2.gz PAKLXCGEXYVWAE-UHFFFAOYSA-N 0 0 179.219 1.876 10 0 ADAERN COC(=O)C(=O)Nc1ccc(C)s1 113313836 572994515 /nfs/dbraw/zinc/99/45/15/572994515.db2.gz UZUMIHHRQIGTQK-UHFFFAOYSA-N 0 0 199.231 1.168 10 0 ADAERN Nc1oncc1-c1ccc(F)cc1O 258207561 572994553 /nfs/dbraw/zinc/99/45/53/572994553.db2.gz ZBUWZPRKEZIFGG-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN CC1(C)Cc2ocnc2[C@@H](O)C1 238240520 572994564 /nfs/dbraw/zinc/99/45/64/572994564.db2.gz BACWRLHJAORIAW-LURJTMIESA-N 0 0 167.208 1.680 10 0 ADAERN CC(=O)[C@H]1Cc2ccc(C)cc2O1 258206052 572994570 /nfs/dbraw/zinc/99/45/70/572994570.db2.gz UWLCREBTGAUMES-SNVBAGLBSA-N 0 0 176.215 1.888 10 0 ADAERN Cc1ccc(C)n1C[C@H](O)C1CC1 123405305 572994578 /nfs/dbraw/zinc/99/45/78/572994578.db2.gz VWLDCWRQGUCVPH-NSHDSACASA-N 0 0 179.263 1.876 10 0 ADAERN CC(C)(O)C1(c2cccs2)COC1 258526213 572994582 /nfs/dbraw/zinc/99/45/82/572994582.db2.gz HTGWLDZGDFAUEM-UHFFFAOYSA-N 0 0 198.287 1.787 10 0 ADAERN C/C=C(/C)C(=O)O[C@@H](C)C(=O)OC 308216665 572994623 /nfs/dbraw/zinc/99/46/23/572994623.db2.gz AIHBEWAZSVSGHQ-RBSILHGTSA-N 0 0 186.207 1.057 10 0 ADAERN OCc1cc(-c2ccc(O)cc2)no1 113280910 572994658 /nfs/dbraw/zinc/99/46/58/572994658.db2.gz GNNWTBWWYRFPGN-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CCCc1nc(N)c(C)c(OC)n1 87918184 572994677 /nfs/dbraw/zinc/99/46/77/572994677.db2.gz OVBUXNXJUVREQX-UHFFFAOYSA-N 0 0 181.239 1.328 10 0 ADAERN ONCc1cccc(CC(F)F)c1 258205285 572994682 /nfs/dbraw/zinc/99/46/82/572994682.db2.gz YVURSCHGPBIUNL-UHFFFAOYSA-N 0 0 187.189 1.973 10 0 ADAERN CC[C@@H](C)S(=O)(=O)C(F)(F)F 113261601 572994688 /nfs/dbraw/zinc/99/46/88/572994688.db2.gz FPOQZEUHKQFEMV-SCSAIBSYSA-N 0 0 190.186 1.720 10 0 ADAERN CCc1oc(CN)nc1C(C)(C)C 257922239 572994798 /nfs/dbraw/zinc/99/47/98/572994798.db2.gz RPFJQCIOQUYBIF-UHFFFAOYSA-N 0 0 182.267 1.993 10 0 ADAERN OCc1cnc(C[C@H]2CCSC2)o1 257916098 572994725 /nfs/dbraw/zinc/99/47/25/572994725.db2.gz CXQHIVOCHPZDLR-SSDOTTSWSA-N 0 0 199.275 1.463 10 0 ADAERN Cc1nn(C)c2cc([C@@H](C)O)ccc12 258207591 572994729 /nfs/dbraw/zinc/99/47/29/572994729.db2.gz ZCTLEZOTAILBAT-MRVPVSSYSA-N 0 0 190.246 1.935 10 0 ADAERN CC1(C)C[C@H]2CC(O)C[C@@H](C1)C2=O 238241288 572994737 /nfs/dbraw/zinc/99/47/37/572994737.db2.gz ZNDDGFHGENLWOJ-JVHMLUBASA-N 0 0 182.263 1.763 10 0 ADAERN CCNc1nc(CC)[nH+]c(N)c1C 87917949 572994742 /nfs/dbraw/zinc/99/47/42/572994742.db2.gz RUNFLXJUZCTGLB-UHFFFAOYSA-N 0 0 180.255 1.361 10 0 ADAERN CC(=O)NC(C)(C)c1cccnc1 82353099 572994856 /nfs/dbraw/zinc/99/48/56/572994856.db2.gz IWFZZXGAVJYNIR-UHFFFAOYSA-N 0 0 178.235 1.453 10 0 ADAERN CNC(=O)c1ccc2ncoc2c1 259033351 572994883 /nfs/dbraw/zinc/99/48/83/572994883.db2.gz BOACEQFUWSPYRW-UHFFFAOYSA-N 0 0 176.175 1.187 10 0 ADAERN CCC1=C[C@@](C)(CC)[NH+]=C([O-])N1 238241945 572994898 /nfs/dbraw/zinc/99/48/98/572994898.db2.gz JTUUMQNXJKGLGG-SECBINFHSA-N 0 0 168.240 1.762 10 0 ADAERN CCCc1nc(NC)c(C)c(NC)[nH+]1 87917933 572994899 /nfs/dbraw/zinc/99/48/99/572994899.db2.gz MRORJJIGNYUXDG-UHFFFAOYSA-N 0 0 194.282 1.821 10 0 ADAERN NOCCc1ccc2ocnc2c1 257917473 572994903 /nfs/dbraw/zinc/99/49/03/572994903.db2.gz BSRCGUXJXQJKGM-UHFFFAOYSA-N 0 0 178.191 1.261 10 0 ADAERN [NH3+][C@@H](c1cnccc1C(=O)[O-])C1CC1 104525507 572994912 /nfs/dbraw/zinc/99/49/12/572994912.db2.gz DPAFEOQJKVXRSL-SECBINFHSA-N 0 0 192.218 1.190 10 0 ADAERN O=C([O-])c1ccnc([C@@H]2CCC[NH2+]2)c1 104525034 572994915 /nfs/dbraw/zinc/99/49/15/572994915.db2.gz KGZWPKKNCPTOPG-QMMMGPOBSA-N 0 0 192.218 1.204 10 0 ADAERN CCc1nc(NC(C)C)cc(N)[nH+]1 87906177 572994918 /nfs/dbraw/zinc/99/49/18/572994918.db2.gz OWHULIFVLADDJO-UHFFFAOYSA-N 0 0 180.255 1.442 10 0 ADAERN C[C@@H]([NH3+])c1cccnc1N(C)C 104528145 572994930 /nfs/dbraw/zinc/99/49/30/572994930.db2.gz OSWLCYKETLFZNS-SSDOTTSWSA-N 0 0 165.240 1.167 10 0 ADAERN CC/C=C\C(=O)N[C@@H]1CCO[C@H]1C 308216031 572994939 /nfs/dbraw/zinc/99/49/39/572994939.db2.gz JLVUDUOONGMHQJ-CGECUYNFSA-N 0 0 183.251 1.246 10 0 ADAERN C[C@H](O)c1c(O)cc(F)cc1F 257917147 572994942 /nfs/dbraw/zinc/99/49/42/572994942.db2.gz BRHCHUJKAQFNQF-BYPYZUCNSA-N 0 0 174.146 1.724 10 0 ADAERN CCCC[C@H]1CC(=O)C[C@H]1O 238241649 572994949 /nfs/dbraw/zinc/99/49/49/572994949.db2.gz SOTAMIKKXBYLCM-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN CNc1cc(N)[nH+]c(C(C)C)n1 87908957 572994951 /nfs/dbraw/zinc/99/49/51/572994951.db2.gz HIZUMUKYBQDIBH-UHFFFAOYSA-N 0 0 166.228 1.224 10 0 ADAERN c1cncc(OCc2cnco2)c1 258208329 572994956 /nfs/dbraw/zinc/99/49/56/572994956.db2.gz OOVWWIXHZYDQOX-UHFFFAOYSA-N 0 0 176.175 1.649 10 0 ADAERN CCNc1cc(N(C)C)nc(CC)[nH+]1 87906166 572994962 /nfs/dbraw/zinc/99/49/62/572994962.db2.gz UFCQQOMVVYZFPC-UHFFFAOYSA-N 0 0 194.282 1.537 10 0 ADAERN Nc1nc(N)c2c(F)cc(F)cc2n1 104530890 572994996 /nfs/dbraw/zinc/99/49/96/572994996.db2.gz AYKLHPHDNZRADS-UHFFFAOYSA-N 0 0 196.160 1.072 10 0 ADAERN CSc1cc(N)nc(C2CC2)n1 87909426 572995006 /nfs/dbraw/zinc/99/50/06/572995006.db2.gz YBBPNLIUASSWEC-UHFFFAOYSA-N 0 0 181.264 1.658 10 0 ADAERN CCc1nc(NC2CC2)c(C)c(N)[nH+]1 87917918 572995045 /nfs/dbraw/zinc/99/50/45/572995045.db2.gz YXMHKVJFIWHPCY-UHFFFAOYSA-N 0 0 192.266 1.504 10 0 ADAERN CCCC/C=C\[C@H](O)C(=O)OCC 308215913 572995048 /nfs/dbraw/zinc/99/50/48/572995048.db2.gz ZRUKPUMYRCOOHW-FUOZMLNRSA-N 0 0 186.251 1.657 10 0 ADAERN C[NH2+][C@H](C)c1cccc(C(=O)[O-])c1 104525564 572995049 /nfs/dbraw/zinc/99/50/49/572995049.db2.gz FYHWQECZJSCGOU-SSDOTTSWSA-N 0 0 179.219 1.665 10 0 ADAERN CCCc1nnc2n1CCC[C@@H]2CO 258207924 572995058 /nfs/dbraw/zinc/99/50/58/572995058.db2.gz KFLVMXSROBBAEZ-MRVPVSSYSA-N 0 0 195.266 1.100 10 0 ADAERN CC[C@@H]([NH3+])c1ncccc1O 104529670 572995073 /nfs/dbraw/zinc/99/50/73/572995073.db2.gz BNMSSHFATVZYBB-ZCFIWIBFSA-N 0 0 152.197 1.197 10 0 ADAERN CCc1nc(N(C)C(C)C)cc(N)[nH+]1 87906154 572995084 /nfs/dbraw/zinc/99/50/84/572995084.db2.gz BSJQHDAEQIAUFA-UHFFFAOYSA-N 0 0 194.282 1.466 10 0 ADAERN OC[C@@]1(c2ccccc2)CC[C@H](O)C1 257917137 572995087 /nfs/dbraw/zinc/99/50/87/572995087.db2.gz BQXUJJOGJWMDAM-NWDGAFQWSA-N 0 0 192.258 1.462 10 0 ADAERN CC(=O)NC(C)(C)c1ccccn1 82353291 572995092 /nfs/dbraw/zinc/99/50/92/572995092.db2.gz YWZRCIWHISTVJG-UHFFFAOYSA-N 0 0 178.235 1.453 10 0 ADAERN C[C@@H](CO)CN(C)C(=O)[C@H](C)C1CC1 688722308 572995102 /nfs/dbraw/zinc/99/51/02/572995102.db2.gz VWPRVWCMYBGCBP-RKDXNWHRSA-N 0 0 199.294 1.119 10 0 ADAERN COc1nc(Br)cn1C 257916499 572995109 /nfs/dbraw/zinc/99/51/09/572995109.db2.gz QREDZQYRIHDYIX-UHFFFAOYSA-N 0 0 191.028 1.191 10 0 ADAERN C[N@@H+]1CCC[C@@H](/C=C\CC(=O)[O-])C1 258207988 572995111 /nfs/dbraw/zinc/99/51/11/572995111.db2.gz NTXVYQRMGUBNDI-FIFYQCSRSA-N 0 0 183.251 1.359 10 0 ADAERN CC=C=C(Cl)[C@@H](C)O 238240631 572995133 /nfs/dbraw/zinc/99/51/33/572995133.db2.gz DMYLVUXKUFGDFA-BRJRFNKRSA-N 0 0 132.590 1.665 10 0 ADAERN CCCc1nc(NCC)cc(NC)[nH+]1 87907733 572995138 /nfs/dbraw/zinc/99/51/38/572995138.db2.gz ZHOIYYVIRJWDAL-UHFFFAOYSA-N 0 0 194.282 1.903 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ncccc1O 104528816 572995166 /nfs/dbraw/zinc/99/51/66/572995166.db2.gz LRPBURXXSAQLJJ-MRVPVSSYSA-N 0 0 166.224 1.443 10 0 ADAERN OCC[C@@H]1CCc2cccc(O)c21 257916634 572995180 /nfs/dbraw/zinc/99/51/80/572995180.db2.gz QXICABIYMCJZFM-VIFPVBQESA-N 0 0 178.231 1.804 10 0 ADAERN COCc1ccc(CO)c2c1OCO2 258207495 572995195 /nfs/dbraw/zinc/99/51/95/572995195.db2.gz ZAZYHWGUEHTTDY-UHFFFAOYSA-N 0 0 196.202 1.054 10 0 ADAERN CN1C(=O)CCc2cc(O)cc(F)c21 257916538 572995203 /nfs/dbraw/zinc/99/52/03/572995203.db2.gz MWXOXZZMUZGNLT-UHFFFAOYSA-N 0 0 195.193 1.440 10 0 ADAERN C[NH2+][C@H](CO)c1cccc2cc[nH]c12 104525110 572995205 /nfs/dbraw/zinc/99/52/05/572995205.db2.gz QDCKSZZYUXNCKH-SNVBAGLBSA-N 0 0 190.246 1.421 10 0 ADAERN CC[C@@H](CO)COc1cccc(O)c1 258207537 572995210 /nfs/dbraw/zinc/99/52/10/572995210.db2.gz PXDFYDFZOJQCDB-VIFPVBQESA-N 0 0 196.246 1.790 10 0 ADAERN CCc1nc(NC(C)C)cc(NC)[nH+]1 87906180 572995639 /nfs/dbraw/zinc/99/56/39/572995639.db2.gz SNADFADWHADANY-UHFFFAOYSA-N 0 0 194.282 1.901 10 0 ADAERN COc1ccc(-c2cc(N)n[nH]2)cn1 113318413 572995249 /nfs/dbraw/zinc/99/52/49/572995249.db2.gz ROENUZYKBZDJAK-UHFFFAOYSA-N 0 0 190.206 1.063 10 0 ADAERN O=C1CN2C(F)=CC=CC2=N1 258526175 572995251 /nfs/dbraw/zinc/99/52/51/572995251.db2.gz MVMVQSYZESZQNO-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]1[NH+]1CC=CC1 113285634 572995268 /nfs/dbraw/zinc/99/52/68/572995268.db2.gz VXDSNSDLQUYKGD-RKDXNWHRSA-N 0 0 181.235 1.112 10 0 ADAERN COC(=O)[C@]1(C)Cc2ccccc2N1 258208535 572995286 /nfs/dbraw/zinc/99/52/86/572995286.db2.gz OQHXCGCAMAJULZ-NSHDSACASA-N 0 0 191.230 1.586 10 0 ADAERN CC[C@H](O)[C@@H](O)c1ccc(C)c(F)c1 223841536 572995295 /nfs/dbraw/zinc/99/52/95/572995295.db2.gz ISNYKOFYEYVHJH-QWRGUYRKSA-N 0 0 198.237 1.938 10 0 ADAERN CCN(C)c1cc(N)[nH+]c(C(C)C)n1 87909021 572995343 /nfs/dbraw/zinc/99/53/43/572995343.db2.gz MSHGCDRSMSAFEJ-UHFFFAOYSA-N 0 0 194.282 1.638 10 0 ADAERN Nc1n[nH]cc1-c1ccc(F)cc1O 258207405 572995358 /nfs/dbraw/zinc/99/53/58/572995358.db2.gz YYQSFTPUFIUHMM-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN NNC(=S)Sc1ccccc1 104531886 572995456 /nfs/dbraw/zinc/99/54/56/572995456.db2.gz CLARXVDDMOCGTE-UHFFFAOYSA-N 0 0 184.289 1.527 10 0 ADAERN CCC[C@H](C[C@@H](C)C(=O)[O-])[NH+](C)C 259302662 572995475 /nfs/dbraw/zinc/99/54/75/572995475.db2.gz DDPGIEPFKCFUEB-RKDXNWHRSA-N 0 0 187.283 1.828 10 0 ADAERN CCNc1nc(Cl)c2c(n1)CNC2 259303736 572995484 /nfs/dbraw/zinc/99/54/84/572995484.db2.gz BPTDGYLANLLDCY-UHFFFAOYSA-N 0 0 198.657 1.165 10 0 ADAERN CC[C@H](CO)COc1cccc(O)c1 258207534 572995496 /nfs/dbraw/zinc/99/54/96/572995496.db2.gz PXDFYDFZOJQCDB-SECBINFHSA-N 0 0 196.246 1.790 10 0 ADAERN CCCc1nc(NC2CC2)cc(N)[nH+]1 87907725 572995503 /nfs/dbraw/zinc/99/55/03/572995503.db2.gz NGODAHCTTYVXTN-UHFFFAOYSA-N 0 0 192.266 1.586 10 0 ADAERN C[C@H](O)Cc1cc(F)c(F)cc1O 258205368 572995507 /nfs/dbraw/zinc/99/55/07/572995507.db2.gz YWMKYMSLKUVMIF-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN OCC(F)(F)C1CCCC1 258470596 572995511 /nfs/dbraw/zinc/99/55/11/572995511.db2.gz IGZSKTVGXMLZKR-UHFFFAOYSA-N 0 0 150.168 1.804 10 0 ADAERN CCCC(=O)[C@@H]1N=C1Cl 238242170 572995522 /nfs/dbraw/zinc/99/55/22/572995522.db2.gz AHGIQUWWTWWZNU-YFKPBYRVSA-N 0 0 145.589 1.375 10 0 ADAERN C[NH2+]Cc1ccc(Cl)c(C(=O)[O-])c1 258207020 572995523 /nfs/dbraw/zinc/99/55/23/572995523.db2.gz VWXQISHFLQGACL-UHFFFAOYSA-N 0 0 199.637 1.758 10 0 ADAERN CCCc1nc(NC)cc(NC)[nH+]1 87907734 572995550 /nfs/dbraw/zinc/99/55/50/572995550.db2.gz WNARNZIKQKUDQH-UHFFFAOYSA-N 0 0 180.255 1.513 10 0 ADAERN CC=C=C[C@H](C)CO 238242035 572995563 /nfs/dbraw/zinc/99/55/63/572995563.db2.gz OHBGSNCTZVOTLH-DRGSQQHPSA-N 0 0 112.172 1.346 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(F)ccc2O1 258208096 572995565 /nfs/dbraw/zinc/99/55/65/572995565.db2.gz VBAMYRDSSADFJF-JTQLQIEISA-N 0 0 180.178 1.718 10 0 ADAERN CCCCn1c(C)c(C)cc(N)c1=O 113326144 572995568 /nfs/dbraw/zinc/99/55/68/572995568.db2.gz BFSPAKCDWGDKNR-UHFFFAOYSA-N 0 0 194.278 1.847 10 0 ADAERN CC=C=C[C@@H](C)CO 238241803 572995571 /nfs/dbraw/zinc/99/55/71/572995571.db2.gz OHBGSNCTZVOTLH-HWZXHQHMSA-N 0 0 112.172 1.346 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H](C1CCCC1)[NH+](C)C 259302422 572995599 /nfs/dbraw/zinc/99/55/99/572995599.db2.gz DCVUTGBAQDTLSN-PSASIEDQSA-N 0 0 199.294 1.828 10 0 ADAERN O=Cc1cc(F)c(F)cc1CCO 258207353 572995603 /nfs/dbraw/zinc/99/56/03/572995603.db2.gz YXEDSCPGZKZACH-UHFFFAOYSA-N 0 0 186.157 1.312 10 0 ADAERN O=C([O-])[C@@H]1CCCC[C@@H]1[NH+]1CC=CC1 113285640 572995616 /nfs/dbraw/zinc/99/56/16/572995616.db2.gz SFAUFUHJTZXKAX-ZJUUUORDSA-N 0 0 195.262 1.502 10 0 ADAERN NC(=O)c1c(Cl)ccc(O)c1F 113302255 572995635 /nfs/dbraw/zinc/99/56/35/572995635.db2.gz IBXUCLJNACUHJP-UHFFFAOYSA-N 0 0 189.573 1.284 10 0 ADAERN CCCCCCC(=O)OC1COC1 308217942 572995651 /nfs/dbraw/zinc/99/56/51/572995651.db2.gz KAVMZJPAMJLVGF-UHFFFAOYSA-N 0 0 186.251 1.899 10 0 ADAERN CNOc1ccc(C)o1 257921768 572995656 /nfs/dbraw/zinc/99/56/56/572995656.db2.gz JWFRIRIXGNTSDA-UHFFFAOYSA-N 0 0 127.143 1.101 10 0 ADAERN COc1c(F)cc(NN)cc1F 104531947 572995713 /nfs/dbraw/zinc/99/57/13/572995713.db2.gz SKHDPXWSHNYFHC-UHFFFAOYSA-N 0 0 174.150 1.259 10 0 ADAERN CC(C)(O)[C@H]1Cc2c(F)cccc2N1 258205804 572995710 /nfs/dbraw/zinc/99/57/10/572995710.db2.gz OLZVHYDCRUXBBL-SNVBAGLBSA-N 0 0 195.237 1.933 10 0 ADAERN CCNc1cc(N)[nH+]c(C(C)C)n1 87908967 572995720 /nfs/dbraw/zinc/99/57/20/572995720.db2.gz BHWLFASLLXCHSA-UHFFFAOYSA-N 0 0 180.255 1.614 10 0 ADAERN CC[C@@H]([NH3+])c1cccnc1N(C)C 104530384 572995734 /nfs/dbraw/zinc/99/57/34/572995734.db2.gz KMPGWIZVYBFJQJ-SECBINFHSA-N 0 0 179.267 1.557 10 0 ADAERN COc1ccc2c(c1)[C@H]([C@@H](C)O)CN2 258208034 572995742 /nfs/dbraw/zinc/99/57/42/572995742.db2.gz VAEOFIVPTXSLHR-XCBNKYQSSA-N 0 0 193.246 1.585 10 0 ADAERN C[C@@H](O)c1c(O)cc(F)cc1F 257917150 572995745 /nfs/dbraw/zinc/99/57/45/572995745.db2.gz BRHCHUJKAQFNQF-SCSAIBSYSA-N 0 0 174.146 1.724 10 0 ADAERN Cc1nn(C)c2cc(CON)ccc12 258205241 572995748 /nfs/dbraw/zinc/99/57/48/572995748.db2.gz YUWIIUABBKLWCB-UHFFFAOYSA-N 0 0 191.234 1.272 10 0 ADAERN CCCCC1=N[C@@H](N)SC1 238242037 572995755 /nfs/dbraw/zinc/99/57/55/572995755.db2.gz IEEDRURIPGIJLL-SSDOTTSWSA-N 0 0 158.270 1.607 10 0 ADAERN CCCc1nc(NC(C)C)cc(N)[nH+]1 87907716 572995762 /nfs/dbraw/zinc/99/57/62/572995762.db2.gz LXPDEKNCPNGNSV-UHFFFAOYSA-N 0 0 194.282 1.832 10 0 ADAERN NN=c1cc(Cl)c2ncccc2[nH]1 104532011 572995798 /nfs/dbraw/zinc/99/57/98/572995798.db2.gz PRJKJONTLABHDP-UHFFFAOYSA-N 0 0 194.625 1.569 10 0 ADAERN CC[C@H](O)C(=O)N(CC)CC1CC1 308217999 572995813 /nfs/dbraw/zinc/99/58/13/572995813.db2.gz KCRPVSLHUIFSBR-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN COC[C@H]1CCCN1C(=O)C(C)(C)C 82352667 572995835 /nfs/dbraw/zinc/99/58/35/572995835.db2.gz AFHOXJDQMFAYSM-SECBINFHSA-N 0 0 199.294 1.670 10 0 ADAERN N[C@H](c1ccncc1F)C(F)(F)F 104528812 572995837 /nfs/dbraw/zinc/99/58/37/572995837.db2.gz CLHVBZPJERKVSI-ZCFIWIBFSA-N 0 0 194.131 1.783 10 0 ADAERN CCC1=CC[C@@H](CO)[C@@H](CO)C1 238240624 572995889 /nfs/dbraw/zinc/99/58/89/572995889.db2.gz WWQQUVPUIRNVRQ-VHSXEESVSA-N 0 0 170.252 1.334 10 0 ADAERN CC(=O)c1cnc([C@H]2CCCN2C)o1 257921702 572995902 /nfs/dbraw/zinc/99/59/02/572995902.db2.gz DHNRSCHVVPIQOU-MRVPVSSYSA-N 0 0 194.234 1.644 10 0 ADAERN CCCC[C@H]1CC(=O)[C@@H]2O[C@H]12 238242114 572995907 /nfs/dbraw/zinc/99/59/07/572995907.db2.gz KLXNWLTZGLFAFC-ZQARSLAVSA-N 0 0 154.209 1.533 10 0 ADAERN CC=C=CC(C)(C)CO 238241139 572995926 /nfs/dbraw/zinc/99/59/26/572995926.db2.gz HDQXVXQEZDESOV-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN CC(=O)[C@H]1Cc2c(O)cccc2S1 258205634 572995931 /nfs/dbraw/zinc/99/59/31/572995931.db2.gz OKPQSQFGDWUZJY-SNVBAGLBSA-N 0 0 194.255 1.998 10 0 ADAERN CCCC[C@H]1CC(=O)N[C@H]1C 238241833 572995934 /nfs/dbraw/zinc/99/59/34/572995934.db2.gz JIKPYVVIDSWKLX-YUMQZZPRSA-N 0 0 155.241 1.701 10 0 ADAERN Cn1ccc2c(NC3CC3)ncnc21 82358939 572995938 /nfs/dbraw/zinc/99/59/38/572995938.db2.gz HZBVRZGXIBAWKP-UHFFFAOYSA-N 0 0 188.234 1.543 10 0 ADAERN CC(C)Nc1cc(N)[nH+]c(C2CC2)n1 87908918 572995951 /nfs/dbraw/zinc/99/59/51/572995951.db2.gz ZMNLNVAZSLKKEP-UHFFFAOYSA-N 0 0 192.266 1.757 10 0 ADAERN COc1cc(F)c(CON)c(F)c1 258205377 572995966 /nfs/dbraw/zinc/99/59/66/572995966.db2.gz YWUWJJKXVPHRBG-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN CCCc1nc(NC)c(C)c(N)[nH+]1 87917937 572995988 /nfs/dbraw/zinc/99/59/88/572995988.db2.gz SVSZXEJSQGSMSY-UHFFFAOYSA-N 0 0 180.255 1.361 10 0 ADAERN CCC[C@H]1[C@H](O)CC12CC2 238240838 572995992 /nfs/dbraw/zinc/99/59/92/572995992.db2.gz BXWFJQNRPVVPNT-JGVFFNPUSA-N 0 0 140.226 1.948 10 0 ADAERN COc1c(O)cc(CNO)c(C)c1C 258207564 572996521 /nfs/dbraw/zinc/99/65/21/572996521.db2.gz ZBVHTEKFQSYFLK-UHFFFAOYSA-N 0 0 197.234 1.496 10 0 ADAERN CC(C)Oc1cc(N)nc(C(C)C)n1 87909265 572996524 /nfs/dbraw/zinc/99/65/24/572996524.db2.gz SVXDDDAIMMEAGY-UHFFFAOYSA-N 0 0 195.266 1.969 10 0 ADAERN CC(C)(O)c1ccc(O)cc1N 259593821 572996553 /nfs/dbraw/zinc/99/65/53/572996553.db2.gz ZTTVTYJFFGRKSF-UHFFFAOYSA-N 0 0 167.208 1.202 10 0 ADAERN C[C@H](O)CCC[N@@H+]1CC[C@](C)(F)C1 308218276 572996586 /nfs/dbraw/zinc/99/65/86/572996586.db2.gz AYENGXBMMUAHFP-UWVGGRQHSA-N 0 0 189.274 1.581 10 0 ADAERN CCNc1nc(C2CC2)[nH]c(=O)c1C 87918246 572996590 /nfs/dbraw/zinc/99/65/90/572996590.db2.gz ORODZMOHVUGYQA-UHFFFAOYSA-N 0 0 193.250 1.388 10 0 ADAERN COc1ccc([C@@H]2CNOC2)cc1 257916873 572996481 /nfs/dbraw/zinc/99/64/81/572996481.db2.gz QYZBQQFKBIGZIQ-SECBINFHSA-N 0 0 179.219 1.314 10 0 ADAERN CCCc1nc(N(C)C)cc(NC)[nH+]1 87907708 572996484 /nfs/dbraw/zinc/99/64/84/572996484.db2.gz NRBQUWXUWIIXIE-UHFFFAOYSA-N 0 0 194.282 1.537 10 0 ADAERN Cc1ncc([C@@H]2CCSC2)c(=O)[nH]1 258468677 572996486 /nfs/dbraw/zinc/99/64/86/572996486.db2.gz HPKJECOPPOMBFQ-SSDOTTSWSA-N 0 0 196.275 1.711 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ccc(C(=O)[O-])nc1 104525977 572996495 /nfs/dbraw/zinc/99/64/95/572996495.db2.gz MQSSYSBYOJJHGM-SECBINFHSA-N 0 0 194.234 1.436 10 0 ADAERN Cc1noc(NC[C@@H]2CCO[C@@H]2C)n1 235678640 572996540 /nfs/dbraw/zinc/99/65/40/572996540.db2.gz LPUNHRDAFBTPOJ-SVRRBLITSA-N 0 0 197.238 1.215 10 0 ADAERN CCc1nc(N(C)CC)cc(NC)[nH+]1 87906250 572996542 /nfs/dbraw/zinc/99/65/42/572996542.db2.gz VLDDGMTXVAUGFM-UHFFFAOYSA-N 0 0 194.282 1.537 10 0 ADAERN CSCc1cnc2cc(N)ccn12 258468491 572996544 /nfs/dbraw/zinc/99/65/44/572996544.db2.gz HMOIFEOOUWBQTP-UHFFFAOYSA-N 0 0 193.275 1.780 10 0 ADAERN CCc1nc(N[C@@H]2C[C@@H]2C)cc(N)[nH+]1 87906413 572996608 /nfs/dbraw/zinc/99/66/08/572996608.db2.gz SFPFHTCSFOKSRH-NKWVEPMBSA-N 0 0 192.266 1.442 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cc(CO)ccn1 104524998 572996613 /nfs/dbraw/zinc/99/66/13/572996613.db2.gz GVBWKDIFOXAOCY-SNVBAGLBSA-N 0 0 180.251 1.230 10 0 ADAERN CN(C)C(=O)Nc1cncc(F)c1 82356101 572996618 /nfs/dbraw/zinc/99/66/18/572996618.db2.gz DWRITAAHUMBDTL-UHFFFAOYSA-N 0 0 183.186 1.314 10 0 ADAERN OCC[C@H]1CCc2cccc(O)c21 257916632 572996626 /nfs/dbraw/zinc/99/66/26/572996626.db2.gz QXICABIYMCJZFM-SECBINFHSA-N 0 0 178.231 1.804 10 0 ADAERN N[C@H](c1cncc(F)c1)C(F)(F)F 104528173 572996638 /nfs/dbraw/zinc/99/66/38/572996638.db2.gz CNFLMIBXGYGIJN-ZCFIWIBFSA-N 0 0 194.131 1.783 10 0 ADAERN COC(=O)Nc1cnc2[nH]cnc2c1 82352458 572996648 /nfs/dbraw/zinc/99/66/48/572996648.db2.gz OWOHNWOLFXGBJX-UHFFFAOYSA-N 0 0 192.178 1.136 10 0 ADAERN COc1cc(CCO)c(F)cc1O 258205268 572996658 /nfs/dbraw/zinc/99/66/58/572996658.db2.gz YVNKSHKIHKKHTG-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN CCCCC1=N[C@H](N)SC1 238242087 572996659 /nfs/dbraw/zinc/99/66/59/572996659.db2.gz IEEDRURIPGIJLL-ZETCQYMHSA-N 0 0 158.270 1.607 10 0 ADAERN OCc1ccnc([C@@H]2CCCC[NH2+]2)c1 104526012 572996664 /nfs/dbraw/zinc/99/66/64/572996664.db2.gz RINJEIDJAIMOQR-JTQLQIEISA-N 0 0 192.262 1.389 10 0 ADAERN CC(C)CCNc1cncc(NN)[nH+]1 87904784 572996665 /nfs/dbraw/zinc/99/66/65/572996665.db2.gz KWIFVVWXXKLGLB-UHFFFAOYSA-N 0 0 195.270 1.220 10 0 ADAERN c1nn2c3c1CCCN3CCC2 257916832 572996690 /nfs/dbraw/zinc/99/66/90/572996690.db2.gz BPIZNDCNIAMLPJ-UHFFFAOYSA-N 0 0 163.224 1.039 10 0 ADAERN CC(=O)[C@@H]1Cc2c(O)cccc2S1 258205631 572996698 /nfs/dbraw/zinc/99/66/98/572996698.db2.gz OKPQSQFGDWUZJY-JTQLQIEISA-N 0 0 194.255 1.998 10 0 ADAERN CCC1=CC[C@@H](CO)[C@H](CO)C1 238241021 572996702 /nfs/dbraw/zinc/99/67/02/572996702.db2.gz WWQQUVPUIRNVRQ-UWVGGRQHSA-N 0 0 170.252 1.334 10 0 ADAERN Clc1ncnnc1-c1cc[nH]c1 259033332 572996710 /nfs/dbraw/zinc/99/67/10/572996710.db2.gz BNJLVJWDMUNSEV-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN CCc1cc(C(=O)CN)c(F)cc1F 258208135 572996726 /nfs/dbraw/zinc/99/67/26/572996726.db2.gz SYTCUDQONQZUFT-UHFFFAOYSA-N 0 0 199.200 1.669 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1ccc(C)c(F)c1 223841489 572996733 /nfs/dbraw/zinc/99/67/33/572996733.db2.gz ISNYKOFYEYVHJH-MNOVXSKESA-N 0 0 198.237 1.938 10 0 ADAERN COc1ncccc1[C@@H]1CC[NH2+]1 104530004 572996743 /nfs/dbraw/zinc/99/67/43/572996743.db2.gz IWHRXZRSHMPHJI-QMMMGPOBSA-N 0 0 164.208 1.125 10 0 ADAERN Cn1cc(NCCCC(F)F)cn1 688728312 572996749 /nfs/dbraw/zinc/99/67/49/572996749.db2.gz QVMWYEHUHOQBPB-UHFFFAOYSA-N 0 0 189.209 1.877 10 0 ADAERN CSc1cc(N)cc(N)c1 223842886 572996782 /nfs/dbraw/zinc/99/67/82/572996782.db2.gz QAIPUJRGJHPPMJ-UHFFFAOYSA-N 0 0 154.238 1.573 10 0 ADAERN CCc1nc(CO)sc1CC 257916722 572996785 /nfs/dbraw/zinc/99/67/85/572996785.db2.gz QXXVJTCYLAXRTN-UHFFFAOYSA-N 0 0 171.265 1.760 10 0 ADAERN O=C([O-])[C@H]1CCCC[C@@H]1[NH+]1CC=CC1 113285644 572996804 /nfs/dbraw/zinc/99/68/04/572996804.db2.gz SFAUFUHJTZXKAX-UWVGGRQHSA-N 0 0 195.262 1.502 10 0 ADAERN COC[C@@H]1CCCN1C(=O)C(C)(C)C 82352668 572996812 /nfs/dbraw/zinc/99/68/12/572996812.db2.gz AFHOXJDQMFAYSM-VIFPVBQESA-N 0 0 199.294 1.670 10 0 ADAERN CCCc1nc(Cl)c(C)c(=O)[nH]1 87917392 572997358 /nfs/dbraw/zinc/99/73/58/572997358.db2.gz USUINANNAUPODU-UHFFFAOYSA-N 0 0 186.642 1.684 10 0 ADAERN CCCc1nc(N(C)C)cc(N)[nH+]1 87907706 572996820 /nfs/dbraw/zinc/99/68/20/572996820.db2.gz XBNDEFZNGQQLER-UHFFFAOYSA-N 0 0 180.255 1.077 10 0 ADAERN CCCC[C@H]1CC(=O)N=C(N)S1 238241721 572996836 /nfs/dbraw/zinc/99/68/36/572996836.db2.gz SZQLXGJVJPLPDS-LURJTMIESA-N 0 0 186.280 1.523 10 0 ADAERN CNc1nc(C(C)C)[nH+]c(N)c1C 87917935 572996845 /nfs/dbraw/zinc/99/68/45/572996845.db2.gz PWDMZMBHJFQFIK-UHFFFAOYSA-N 0 0 180.255 1.532 10 0 ADAERN COc1cc(O)c(F)c(CNO)c1 258207595 572996872 /nfs/dbraw/zinc/99/68/72/572996872.db2.gz ZCYZIGIYDADQDU-UHFFFAOYSA-N 0 0 187.170 1.019 10 0 ADAERN CCC[C@H](C)Nc1cncc(=NN)[nH]1 87904565 572996937 /nfs/dbraw/zinc/99/69/37/572996937.db2.gz QTYGUQSUKCPWNM-ZETCQYMHSA-N 0 0 195.270 1.363 10 0 ADAERN COc1ccc2c(c1)[C@@H]([C@@H](C)O)CN2 258208029 572996945 /nfs/dbraw/zinc/99/69/45/572996945.db2.gz VAEOFIVPTXSLHR-GMSGAONNSA-N 0 0 193.246 1.585 10 0 ADAERN CCc1nc(N(C)C)cc(NC)[nH+]1 87906167 572996880 /nfs/dbraw/zinc/99/68/80/572996880.db2.gz HGXVETJSPFUXPR-UHFFFAOYSA-N 0 0 180.255 1.147 10 0 ADAERN Oc1cccc(OCc2cocn2)c1 258205585 572996892 /nfs/dbraw/zinc/99/68/92/572996892.db2.gz OJPSEICLMFPKGX-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN Cc1noc(F)c1Cl 104529245 572996954 /nfs/dbraw/zinc/99/69/54/572996954.db2.gz YPFLKAGCZDRTHC-UHFFFAOYSA-N 0 0 135.525 1.776 10 0 ADAERN CC1=CC[C@@]2(CO)CCCC[C@@H]1[C@@H]2O 238241107 572996965 /nfs/dbraw/zinc/99/69/65/572996965.db2.gz QSPRPICVRLGQSA-SDDRHHMPSA-N 0 0 196.290 1.866 10 0 ADAERN CCC1=CC[C@H](CO)[C@@H](CO)C1 238241254 572996973 /nfs/dbraw/zinc/99/69/73/572996973.db2.gz WWQQUVPUIRNVRQ-NXEZZACHSA-N 0 0 170.252 1.334 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(N(C)C)o1 104525355 572996987 /nfs/dbraw/zinc/99/69/87/572996987.db2.gz ACJJJFFEIYSNRJ-SSDOTTSWSA-N 0 0 168.240 1.755 10 0 ADAERN CC[C@@H](F)COC(=O)[C@@H](C)COC 308218535 572997009 /nfs/dbraw/zinc/99/70/09/572997009.db2.gz KGSQJJKQJIAUAS-JGVFFNPUSA-N 0 0 192.230 1.560 10 0 ADAERN Cc1c(N(C)C)nc(C(C)C)[nH+]c1N 87917858 572997032 /nfs/dbraw/zinc/99/70/32/572997032.db2.gz SEFBNLVDAFINFH-UHFFFAOYSA-N 0 0 194.282 1.557 10 0 ADAERN CCc1nc(N[C@H]2C[C@H]2C)cc(N)[nH+]1 87906416 572997060 /nfs/dbraw/zinc/99/70/60/572997060.db2.gz SFPFHTCSFOKSRH-RQJHMYQMSA-N 0 0 192.266 1.442 10 0 ADAERN C/C=C(\Br)[C@@H](C)O 213044753 572997072 /nfs/dbraw/zinc/99/70/72/572997072.db2.gz ZYCWVTZWEPOBCS-YZRPVEKSSA-N 0 0 165.030 1.666 10 0 ADAERN NNC(=S)S[C@@H]1C=CCCC1 104533017 572997073 /nfs/dbraw/zinc/99/70/73/572997073.db2.gz KGSRPOUEFJNZIC-ZCFIWIBFSA-N 0 0 188.321 1.577 10 0 ADAERN Cc1c(Cl)nc(C2CC2)[nH]c1=O 87917391 572997082 /nfs/dbraw/zinc/99/70/82/572997082.db2.gz JJLMFWNRFQRSSN-UHFFFAOYSA-N 0 0 184.626 1.609 10 0 ADAERN CN(C)c1ncccc1[C@@H]1CC[NH2+]1 104529054 572997085 /nfs/dbraw/zinc/99/70/85/572997085.db2.gz XQVKPWOCOHAHKW-VIFPVBQESA-N 0 0 177.251 1.182 10 0 ADAERN CCCc1nc(NCC)cc(N)[nH+]1 87907736 572997096 /nfs/dbraw/zinc/99/70/96/572997096.db2.gz JJUCKZRVHPJNGE-UHFFFAOYSA-N 0 0 180.255 1.443 10 0 ADAERN Nc1cnn(-c2ccc(F)cc2)c1F 258206898 572997122 /nfs/dbraw/zinc/99/71/22/572997122.db2.gz XGYQLFDXROWNJV-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN C[NH2+]Cc1nc2c(OC)cccc2o1 104529236 572997131 /nfs/dbraw/zinc/99/71/31/572997131.db2.gz YJPUAQIZBWOABR-UHFFFAOYSA-N 0 0 192.218 1.556 10 0 ADAERN COC(=O)[C@H](c1ccc[nH]1)C(C)C 259303629 572997158 /nfs/dbraw/zinc/99/71/58/572997158.db2.gz QNUUQHYPBLKEGP-VIFPVBQESA-N 0 0 181.235 1.927 10 0 ADAERN NNC(=S)CCc1ccccc1 104531782 572997166 /nfs/dbraw/zinc/99/71/66/572997166.db2.gz NLJVIKYSWYPKNR-UHFFFAOYSA-N 0 0 180.276 1.410 10 0 ADAERN CCc1nc(N[C@@H]2C[C@H]2C)cc(N)[nH+]1 87906415 572997279 /nfs/dbraw/zinc/99/72/79/572997279.db2.gz SFPFHTCSFOKSRH-RNFRBKRXSA-N 0 0 192.266 1.442 10 0 ADAERN C[C@H](O)C(=O)OCCCCCCF 308218313 572997195 /nfs/dbraw/zinc/99/71/95/572997195.db2.gz AZDNRTZHVPBGRR-QMMMGPOBSA-N 0 0 192.230 1.440 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]1[NH+]1CC=CC1 113285637 572997198 /nfs/dbraw/zinc/99/71/98/572997198.db2.gz VXDSNSDLQUYKGD-BDAKNGLRSA-N 0 0 181.235 1.112 10 0 ADAERN CCc1nc(N(C)CC)c(C)c(N)[nH+]1 87917993 572997201 /nfs/dbraw/zinc/99/72/01/572997201.db2.gz QWLWYEYJVKLIDN-UHFFFAOYSA-N 0 0 194.282 1.386 10 0 ADAERN Fc1cncc([C@@H]2CC[NH2+]2)c1 104529686 572997228 /nfs/dbraw/zinc/99/72/28/572997228.db2.gz MDXNFBWVDCIAEO-QMMMGPOBSA-N 0 0 152.172 1.255 10 0 ADAERN NNc1nncc2c(F)cccc12 104532057 572997236 /nfs/dbraw/zinc/99/72/36/572997236.db2.gz DMJKRNXWGXFEMG-UHFFFAOYSA-N 0 0 178.170 1.055 10 0 ADAERN CCCc1nnc2n1CCC[C@H]2CO 258207925 572997239 /nfs/dbraw/zinc/99/72/39/572997239.db2.gz KFLVMXSROBBAEZ-QMMMGPOBSA-N 0 0 195.266 1.100 10 0 ADAERN CC1(c2cc(O)ccc2O)OCCO1 238241167 572997263 /nfs/dbraw/zinc/99/72/63/572997263.db2.gz UIVHFGHWAYLEJI-UHFFFAOYSA-N 0 0 196.202 1.317 10 0 ADAERN CO[C@H](C)COC(=O)[C@@H]1CC1(C)C 308218925 572997264 /nfs/dbraw/zinc/99/72/64/572997264.db2.gz BLYFJBHYMXKYKU-SFYZADRCSA-N 0 0 186.251 1.611 10 0 ADAERN CC(C)NC(=O)/C=C\c1cc[nH]c1 308217898 572997272 /nfs/dbraw/zinc/99/72/72/572997272.db2.gz AXKXXSCYZYGEQN-ARJAWSKDSA-N 0 0 178.235 1.553 10 0 ADAERN CC1=C[C@@H](NC(N)=O)CC(C)(C)C1 238248031 572997294 /nfs/dbraw/zinc/99/72/94/572997294.db2.gz NGUKDKMJVIAFAF-MRVPVSSYSA-N 0 0 182.267 1.790 10 0 ADAERN Cc1c(O)cccc1-c1cc(N)n[nH]1 258205277 572997297 /nfs/dbraw/zinc/99/72/97/572997297.db2.gz YVTFRYWQTATULN-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN CNC(=O)/C=C/C(C)(C)C 113263380 572997303 /nfs/dbraw/zinc/99/73/03/572997303.db2.gz ZCOSFRHJMDLMTN-AATRIKPKSA-N 0 0 141.214 1.335 10 0 ADAERN CC(=O)[C@H]1Cc2cc(F)ccc2O1 258208098 572997312 /nfs/dbraw/zinc/99/73/12/572997312.db2.gz VBAMYRDSSADFJF-SNVBAGLBSA-N 0 0 180.178 1.718 10 0 ADAERN CNc1nc(C(C)C)[nH+]c(NC)c1C 87917928 572997332 /nfs/dbraw/zinc/99/73/32/572997332.db2.gz CVEIGLJWZHYNNE-UHFFFAOYSA-N 0 0 194.282 1.992 10 0 ADAERN O=C([O-])c1ccc([C@@H]2CCC[NH2+]2)o1 104524886 572997353 /nfs/dbraw/zinc/99/73/53/572997353.db2.gz IHTHCCXFOAFHOO-LURJTMIESA-N 0 0 181.191 1.402 10 0 ADAERN [NH3+][C@@H](c1cncc(C(=O)[O-])c1)C1CC1 104525501 572997368 /nfs/dbraw/zinc/99/73/68/572997368.db2.gz ACAOFEPVXVKUBB-SECBINFHSA-N 0 0 192.218 1.190 10 0 ADAERN CCCNc1nc(CC)[nH+]c(N)c1C 87917883 572997373 /nfs/dbraw/zinc/99/73/73/572997373.db2.gz ZCDUNMVDDZSNGK-UHFFFAOYSA-N 0 0 194.282 1.752 10 0 ADAERN NC(=O)OCC1(c2ccccc2)CC1 238603989 572997375 /nfs/dbraw/zinc/99/73/75/572997375.db2.gz XHEPRYMFDQFREY-UHFFFAOYSA-N 0 0 191.230 1.814 10 0 ADAERN [NH3+][C@@H](c1cncc(O)c1)C1CC1 104525988 572997397 /nfs/dbraw/zinc/99/73/97/572997397.db2.gz KYXKMYRWLCFHTA-SECBINFHSA-N 0 0 164.208 1.197 10 0 ADAERN CCN(C(=O)c1ccno1)C(C)C 308218503 572997428 /nfs/dbraw/zinc/99/74/28/572997428.db2.gz KFDBIJPMJCRLLY-UHFFFAOYSA-N 0 0 182.223 1.545 10 0 ADAERN Nc1ncnc2oc(Cl)cc12 104528575 572997435 /nfs/dbraw/zinc/99/74/35/572997435.db2.gz XWGCJIVUONLQAO-UHFFFAOYSA-N 0 0 169.571 1.458 10 0 ADAERN CN(C)c1ncccc1[C@H]([NH3+])C1CC1 104526410 572997445 /nfs/dbraw/zinc/99/74/45/572997445.db2.gz UQXWHXNTUVQLTL-SNVBAGLBSA-N 0 0 191.278 1.557 10 0 ADAERN Cc1c(N)nc(C(C)(C)C)[nH+]c1N 87918055 572997448 /nfs/dbraw/zinc/99/74/48/572997448.db2.gz NBMOSQOWXIMOMU-UHFFFAOYSA-N 0 0 180.255 1.247 10 0 ADAERN NN=c1cncc(NC2CCCC2)[nH]1 87904283 572997462 /nfs/dbraw/zinc/99/74/62/572997462.db2.gz HIRGPRNQNKWWOQ-UHFFFAOYSA-N 0 0 193.254 1.117 10 0 ADAERN CCC(=O)c1cc(OC)c(O)cc1O 238241764 572997494 /nfs/dbraw/zinc/99/74/94/572997494.db2.gz MBVGMMGFPMNSGS-UHFFFAOYSA-N 0 0 196.202 1.699 10 0 ADAERN C[N@@H+]1CCC(C)(C)C[C@@H]1C(=O)[O-] 257918429 572997479 /nfs/dbraw/zinc/99/74/79/572997479.db2.gz RDWMIQIDRJBIFX-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN CCc1nc(NC)c(C)c(OC)n1 87918172 572997484 /nfs/dbraw/zinc/99/74/84/572997484.db2.gz SIVNOEGDYINFSN-UHFFFAOYSA-N 0 0 181.239 1.398 10 0 ADAERN CCC[C@@H](C)Nc1cncc(=NN)[nH]1 87904564 572997495 /nfs/dbraw/zinc/99/74/95/572997495.db2.gz QTYGUQSUKCPWNM-SSDOTTSWSA-N 0 0 195.270 1.363 10 0 ADAERN CCc1nc(N(C)C2CC2)cc(N)[nH+]1 87906253 572997570 /nfs/dbraw/zinc/99/75/70/572997570.db2.gz VYXGNXMUVOGXKB-UHFFFAOYSA-N 0 0 192.266 1.220 10 0 ADAERN COc1nc(C(C)C)nc(N)c1C 87918178 572997606 /nfs/dbraw/zinc/99/76/06/572997606.db2.gz HSVULYJAWGJSAD-UHFFFAOYSA-N 0 0 181.239 1.499 10 0 ADAERN O=C1NNCC2(CCCCCC2)O1 257918502 572997613 /nfs/dbraw/zinc/99/76/13/572997613.db2.gz RFBWPBOULRPINQ-UHFFFAOYSA-N 0 0 184.239 1.324 10 0 ADAERN CC(C)Cc1cnc(N(C)C#N)nc1 259303652 572997701 /nfs/dbraw/zinc/99/77/01/572997701.db2.gz GHSKRDAPJZRCSF-UHFFFAOYSA-N 0 0 190.250 1.592 10 0 ADAERN CC(=O)[C@@H](O)c1ccc(C)o1 259302598 572997627 /nfs/dbraw/zinc/99/76/27/572997627.db2.gz WZSOOIYRQGOFBL-MRVPVSSYSA-N 0 0 154.165 1.210 10 0 ADAERN CO[C@@H]1CCNc2c(O)cccc21 257918227 572997642 /nfs/dbraw/zinc/99/76/42/572997642.db2.gz RBJXXRJVVMYGIU-SECBINFHSA-N 0 0 179.219 1.895 10 0 ADAERN COC(=O)[C@@H]1Cc2cccc(O)c2C1 104528194 572997655 /nfs/dbraw/zinc/99/76/55/572997655.db2.gz ZDAUZWFHVTVDCU-MRVPVSSYSA-N 0 0 192.214 1.280 10 0 ADAERN CCc1nc(NC)c(C)c(NC)[nH+]1 87917934 572997662 /nfs/dbraw/zinc/99/76/62/572997662.db2.gz UMUKUZFELWPZFS-UHFFFAOYSA-N 0 0 180.255 1.431 10 0 ADAERN COC(=O)[C@H]1Cc2cccc(O)c2C1 104528198 572997697 /nfs/dbraw/zinc/99/76/97/572997697.db2.gz ZDAUZWFHVTVDCU-QMMMGPOBSA-N 0 0 192.214 1.280 10 0 ADAERN CCN(C)c1cc(N)[nH+]c(C2CC2)n1 87909022 572997705 /nfs/dbraw/zinc/99/77/05/572997705.db2.gz MAIATPISHFUHAV-UHFFFAOYSA-N 0 0 192.266 1.392 10 0 ADAERN CC1=CC[C@H](C(=O)CO)C1(C)C 238241668 572997715 /nfs/dbraw/zinc/99/77/15/572997715.db2.gz NAALWPIBELLTHU-MRVPVSSYSA-N 0 0 168.236 1.540 10 0 ADAERN CCc1nc(NC)cc(OC(C)C)n1 87906589 572997727 /nfs/dbraw/zinc/99/77/27/572997727.db2.gz TZEKGGXBBDEFTM-UHFFFAOYSA-N 0 0 195.266 1.868 10 0 ADAERN CCc1nc(NC2CC2)cc(N)[nH+]1 87906191 572997732 /nfs/dbraw/zinc/99/77/32/572997732.db2.gz WKHVVHDQZJELNI-UHFFFAOYSA-N 0 0 178.239 1.196 10 0 ADAERN CCCC[C@H]1C=C(C)NC1=O 238240972 572997750 /nfs/dbraw/zinc/99/77/50/572997750.db2.gz RSAQMIQSNVNGNW-QMMMGPOBSA-N 0 0 153.225 1.826 10 0 ADAERN COc1cccc(CC(C)(C)ON)c1 259593796 572997759 /nfs/dbraw/zinc/99/77/59/572997759.db2.gz ZTMILOXPXQIVSG-UHFFFAOYSA-N 0 0 195.262 1.907 10 0 ADAERN C[C@H]1CCC[C@@H](CN2CCNC2=O)C1 235678923 572997763 /nfs/dbraw/zinc/99/77/63/572997763.db2.gz BTWQGQBIONLPIC-VHSXEESVSA-N 0 0 196.294 1.838 10 0 ADAERN Cc1cccnc1[C@@H]1CC[NH2+]1 104528804 572997781 /nfs/dbraw/zinc/99/77/81/572997781.db2.gz RVPXLGSMDQZXFN-QMMMGPOBSA-N 0 0 148.209 1.424 10 0 ADAERN CCCCC[C@H]1COCC1=O 238242073 572997816 /nfs/dbraw/zinc/99/78/16/572997816.db2.gz KZDARDMCZFMXJA-QMMMGPOBSA-N 0 0 156.225 1.782 10 0 ADAERN Cc1ccc(N)c(=O)n1C(C)(C)C 257923617 572997848 /nfs/dbraw/zinc/99/78/48/572997848.db2.gz RTVUPIGTDQJODN-UHFFFAOYSA-N 0 0 180.251 1.494 10 0 ADAERN C=COC(=O)CC(C)C 113312067 572997919 /nfs/dbraw/zinc/99/79/19/572997919.db2.gz BTFFUEGVQBZTMY-UHFFFAOYSA-N 0 0 128.171 1.719 10 0 ADAERN O=C1OC(=S)[N-][C@@H]1c1ccccc1 104529909 572997877 /nfs/dbraw/zinc/99/78/77/572997877.db2.gz VGVQINMHFIQYHA-SSDOTTSWSA-N 0 0 193.227 1.159 10 0 ADAERN COc1cccc([C@H](C)CO)c1O 258209699 572997881 /nfs/dbraw/zinc/99/78/81/572997881.db2.gz ZEMOTXYTMUWVHY-SSDOTTSWSA-N 0 0 182.219 1.497 10 0 ADAERN CCCc1nc(N)cc(SC)n1 87907925 572997883 /nfs/dbraw/zinc/99/78/83/572997883.db2.gz PXXHEBTVJRHKRK-UHFFFAOYSA-N 0 0 183.280 1.733 10 0 ADAERN COCCCN1CC(=O)CC1(C)C 259302540 572997889 /nfs/dbraw/zinc/99/78/89/572997889.db2.gz HNTZOGPJLWNSHG-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN CCC1CC[C@@]2(C)C(=O)C=C1C2=O 238241146 572997890 /nfs/dbraw/zinc/99/78/90/572997890.db2.gz DHAYYXCARJHGIG-KCJUWKMLSA-N 0 0 178.231 1.891 10 0 ADAERN CC[C@@H]([NH3+])c1cccnc1OC 104526362 572997902 /nfs/dbraw/zinc/99/79/02/572997902.db2.gz RVHGKBNPMSJRAO-MRVPVSSYSA-N 0 0 166.224 1.500 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2cc(O)ccc2N1 258212113 572997910 /nfs/dbraw/zinc/99/79/10/572997910.db2.gz VHHYENXJJNCEFC-IONNQARKSA-N 0 0 193.246 1.500 10 0 ADAERN CCCC(=O)[C@@H]1C[C@H]1OC 238242098 572997912 /nfs/dbraw/zinc/99/79/12/572997912.db2.gz LEKKZBWDTJMXQC-POYBYMJQSA-N 0 0 142.198 1.391 10 0 ADAERN CCc1nc(NC2CCC2)cc(N)[nH+]1 87906410 572997924 /nfs/dbraw/zinc/99/79/24/572997924.db2.gz XPNKTMHYYDXLRX-UHFFFAOYSA-N 0 0 192.266 1.586 10 0 ADAERN CC1=CC[C@@]23C(=O)[C@@]12C3(C)C 238241169 572997940 /nfs/dbraw/zinc/99/79/40/572997940.db2.gz ZUNCQOXBLBPXCR-VHSXEESVSA-N 0 0 148.205 1.932 10 0 ADAERN CC[C@@H](O)C(=O)N(CC)CC1CC1 308217998 572998513 /nfs/dbraw/zinc/99/85/13/572998513.db2.gz KCRPVSLHUIFSBR-SECBINFHSA-N 0 0 185.267 1.016 10 0 ADAERN [NH3+][C@@H]1CCCc2cccc(C(=O)[O-])c21 104529979 572997947 /nfs/dbraw/zinc/99/79/47/572997947.db2.gz XSBGQJHEQDZDKC-SECBINFHSA-N 0 0 191.230 1.721 10 0 ADAERN OCCCn1cc(C2CCCC2)nn1 258210576 572997952 /nfs/dbraw/zinc/99/79/52/572997952.db2.gz XQJBNJPTSFCYJW-UHFFFAOYSA-N 0 0 195.266 1.318 10 0 ADAERN NNC(=S)S[C@H]1C=CCCC1 104533013 572997955 /nfs/dbraw/zinc/99/79/55/572997955.db2.gz KGSRPOUEFJNZIC-LURJTMIESA-N 0 0 188.321 1.577 10 0 ADAERN OCCc1nc([C@@H]2CCCCO2)co1 258210588 572997963 /nfs/dbraw/zinc/99/79/63/572997963.db2.gz XQUGASWDIAUVGT-VIFPVBQESA-N 0 0 197.234 1.451 10 0 ADAERN Nc1cc(-c2cc(F)ccc2O)no1 258211907 572997972 /nfs/dbraw/zinc/99/79/72/572997972.db2.gz ZMFPOUKLGYFGJS-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN Cc1nc2cc(N)ccc2c(=O)[nH]1 104527646 572997992 /nfs/dbraw/zinc/99/79/92/572997992.db2.gz VQPGQTCYPTUFNL-UHFFFAOYSA-N 0 0 175.191 1.226 10 0 ADAERN CC(C)[C@@]([NH3+])(C(=O)[O-])C(C)(C)F 257922285 572997975 /nfs/dbraw/zinc/99/79/75/572997975.db2.gz RPXAGYATNFPUKO-MRVPVSSYSA-N 0 0 177.219 1.173 10 0 ADAERN CC1=CC(Cl)(Cl)C(=O)O1 104525735 572997976 /nfs/dbraw/zinc/99/79/76/572997976.db2.gz ZFLCHTBLQFVXCL-UHFFFAOYSA-N 0 0 166.991 1.621 10 0 ADAERN O=C([O-])c1cccc([C@@H]2CC[NH2+]2)c1 104530771 572997983 /nfs/dbraw/zinc/99/79/83/572997983.db2.gz FMNDFGBYZVDAAP-VIFPVBQESA-N 0 0 177.203 1.419 10 0 ADAERN COc1c(C)c(F)cc(CON)c1C 258210686 572997989 /nfs/dbraw/zinc/99/79/89/572997989.db2.gz TYVGPLYTGAXRDO-UHFFFAOYSA-N 0 0 199.225 1.841 10 0 ADAERN CCNc1nc(CC)[nH+]c(NC)c1C 87917940 572998543 /nfs/dbraw/zinc/99/85/43/572998543.db2.gz POOKAPYDIYBMGP-UHFFFAOYSA-N 0 0 194.282 1.821 10 0 ADAERN CCCC(=O)[C@@H](O)c1ccco1 238241527 572998000 /nfs/dbraw/zinc/99/80/00/572998000.db2.gz OSKDVVSXBZVRLW-SECBINFHSA-N 0 0 168.192 1.682 10 0 ADAERN CCc1nc(NC2CC2)cc(NC)[nH+]1 87906194 572998007 /nfs/dbraw/zinc/99/80/07/572998007.db2.gz AIZFAWAGMURYQE-UHFFFAOYSA-N 0 0 192.266 1.655 10 0 ADAERN COc1cc(C)c(O)cc1CNO 258209685 572998544 /nfs/dbraw/zinc/99/85/44/572998544.db2.gz ZEHHHZAQSLSXFA-UHFFFAOYSA-N 0 0 183.207 1.188 10 0 ADAERN C[C@@H]1Cc2c(CCO)cccc2N1 258210034 572998035 /nfs/dbraw/zinc/99/80/35/572998035.db2.gz VCXBYJFURKOKBH-MRVPVSSYSA-N 0 0 177.247 1.578 10 0 ADAERN CCCc1ncc(CCO)o1 257919408 572998051 /nfs/dbraw/zinc/99/80/51/572998051.db2.gz DAXFSCCVQWHAKG-UHFFFAOYSA-N 0 0 155.197 1.162 10 0 ADAERN CCCC[C@H]1CC(=O)C(=O)O1 238241435 572998052 /nfs/dbraw/zinc/99/80/52/572998052.db2.gz INHHPAWJKKOASX-LURJTMIESA-N 0 0 156.181 1.061 10 0 ADAERN CC(=O)[C@H](C)Oc1ccc(N)cc1F 76851662 572998061 /nfs/dbraw/zinc/99/80/61/572998061.db2.gz LJULRGJIKFHYKQ-ZETCQYMHSA-N 0 0 197.209 1.764 10 0 ADAERN CC1(c2cc(=O)[nH]c(=S)[nH]2)CC1 238240965 572998062 /nfs/dbraw/zinc/99/80/62/572998062.db2.gz UROSEQFNFKTYBU-UHFFFAOYSA-N 0 0 182.248 1.484 10 0 ADAERN CCc1nc(NCC(C)C)cc(N)[nH+]1 87906195 572998127 /nfs/dbraw/zinc/99/81/27/572998127.db2.gz GRVOWFDJKFUMGC-UHFFFAOYSA-N 0 0 194.282 1.689 10 0 ADAERN CC1(c2ccc(N)s2)OCCO1 238241800 572998128 /nfs/dbraw/zinc/99/81/28/572998128.db2.gz ZDKUAGNVTDKZGW-UHFFFAOYSA-N 0 0 185.248 1.550 10 0 ADAERN COC[C@H](C)OC(=O)C1CC(C)C1 308219222 572998149 /nfs/dbraw/zinc/99/81/49/572998149.db2.gz BNZGQNUMMJAMPW-MGURRDGZSA-N 0 0 186.251 1.611 10 0 ADAERN COCCc1ccc([C@@H](C)CO)cc1 258209692 572998222 /nfs/dbraw/zinc/99/82/22/572998222.db2.gz ZELCQZKBFIYQJO-JTQLQIEISA-N 0 0 194.274 1.971 10 0 ADAERN CCCCOc1nsnc1N 238241507 572998226 /nfs/dbraw/zinc/99/82/26/572998226.db2.gz QTDMZEQCTMCIOM-UHFFFAOYSA-N 0 0 173.241 1.299 10 0 ADAERN CC=C=C(Cl)[C@H](C)O 238240644 572998255 /nfs/dbraw/zinc/99/82/55/572998255.db2.gz DMYLVUXKUFGDFA-AKGZTFGVSA-N 0 0 132.590 1.665 10 0 ADAERN C[NH2+][C@H](C)c1ccc(NC(C)=O)s1 104525079 572998257 /nfs/dbraw/zinc/99/82/57/572998257.db2.gz KIECRWARYYPGBN-ZCFIWIBFSA-N 0 0 198.291 1.987 10 0 ADAERN CCCC[C@H]1C=CC=CNC1=O 238241147 572998261 /nfs/dbraw/zinc/99/82/61/572998261.db2.gz UWKOWRRMRVEEOE-VIFPVBQESA-N 0 0 165.236 1.993 10 0 ADAERN C[C@H](O)C(F)(F)[C@H]1CCCCO1 257918368 572998268 /nfs/dbraw/zinc/99/82/68/572998268.db2.gz RDIPSUNKRHICQV-NKWVEPMBSA-N 0 0 180.194 1.572 10 0 ADAERN C[C@H](O)c1cccc(OC2COC2)c1 258211979 572998282 /nfs/dbraw/zinc/99/82/82/572998282.db2.gz ZNQQWXJSDGVBHW-QMMMGPOBSA-N 0 0 194.230 1.518 10 0 ADAERN C[N@@H+]1CCC(C)(C)C[C@H]1C(=O)[O-] 257918430 572998289 /nfs/dbraw/zinc/99/82/89/572998289.db2.gz RDWMIQIDRJBIFX-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)Cc1c(O)cc(C)cc1O 104529897 572998311 /nfs/dbraw/zinc/99/83/11/572998311.db2.gz YLQQNGKQYNSNBR-UHFFFAOYSA-N 0 0 180.203 1.538 10 0 ADAERN CC1(C)C[C@H]2CC(=O)C[C@@H](C1)C2O 238241230 572998313 /nfs/dbraw/zinc/99/83/13/572998313.db2.gz IUATVTLOTYGXQK-JWHQNHQBSA-N 0 0 182.263 1.763 10 0 ADAERN Cc1ccc2c(c1CCON)CCO2 258211871 572998319 /nfs/dbraw/zinc/99/83/19/572998319.db2.gz ZLIHSIZATLQAHK-UHFFFAOYSA-N 0 0 193.246 1.363 10 0 ADAERN CCC(CC)Nc1cncc(=NN)[nH]1 87904310 572998346 /nfs/dbraw/zinc/99/83/46/572998346.db2.gz PGCJDTBMXBTGFG-UHFFFAOYSA-N 0 0 195.270 1.363 10 0 ADAERN CC1=CC[C@]2(CC1)C(=O)CC[C@@H]2O 238241053 572998347 /nfs/dbraw/zinc/99/83/47/572998347.db2.gz BQXGLCFWHHHEHZ-GXSJLCMTSA-N 0 0 180.247 1.827 10 0 ADAERN CC[C@@H](F)COC(=O)[C@H](C)COC 308218534 572998354 /nfs/dbraw/zinc/99/83/54/572998354.db2.gz KGSQJJKQJIAUAS-HTQZYQBOSA-N 0 0 192.230 1.560 10 0 ADAERN CCCC[C@H]1CC(=O)N[C@@H]1C 238241816 572998636 /nfs/dbraw/zinc/99/86/36/572998636.db2.gz JIKPYVVIDSWKLX-SFYZADRCSA-N 0 0 155.241 1.701 10 0 ADAERN COc1ccc(F)c(F)c1CCO 258209744 572998370 /nfs/dbraw/zinc/99/83/70/572998370.db2.gz ZFLGOYXYMOLFAN-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN OCCc1nc([C@H]2CCCCO2)co1 258210587 572998379 /nfs/dbraw/zinc/99/83/79/572998379.db2.gz XQUGASWDIAUVGT-SECBINFHSA-N 0 0 197.234 1.451 10 0 ADAERN Cc1ccnc([C@@H]2CC[NH2+]2)c1 104525514 572998380 /nfs/dbraw/zinc/99/83/80/572998380.db2.gz YOUXOBXIUGDGCC-QMMMGPOBSA-N 0 0 148.209 1.424 10 0 ADAERN COC(=O)[C@H]1C[C@H](C2CCCC2)N1 257923648 572998386 /nfs/dbraw/zinc/99/83/86/572998386.db2.gz RUGBCGZBICMVTN-RKDXNWHRSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1n[nH]c2cccc([C@H](C)CO)c12 258209849 572998389 /nfs/dbraw/zinc/99/83/89/572998389.db2.gz ZIJXXRZJGKNAHA-SSDOTTSWSA-N 0 0 190.246 1.967 10 0 ADAERN COC(=O)c1nccc(C(C)(C)C)n1 259033271 572998391 /nfs/dbraw/zinc/99/83/91/572998391.db2.gz HKTWVBBRZKMYGS-UHFFFAOYSA-N 0 0 194.234 1.561 10 0 ADAERN CCC[C@@H](C[C@@H](C)C(=O)[O-])[NH+](C)C 259302641 572998406 /nfs/dbraw/zinc/99/84/06/572998406.db2.gz DDPGIEPFKCFUEB-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN CC1=CC[C@H](C(C)(C)C(N)=O)C1 238241758 572998414 /nfs/dbraw/zinc/99/84/14/572998414.db2.gz MPRDOSROCLPLNS-QMMMGPOBSA-N 0 0 167.252 1.854 10 0 ADAERN CCCC[C@H]1CC(=O)O[C@H]1O 238242022 572998424 /nfs/dbraw/zinc/99/84/24/572998424.db2.gz DYFQGNFVSUWVOG-POYBYMJQSA-N 0 0 158.197 1.058 10 0 ADAERN CCc1nc(N[C@@H](C)CC)cc(N)[nH+]1 87906185 572998430 /nfs/dbraw/zinc/99/84/30/572998430.db2.gz PIIWRTSXGTVFPW-ZETCQYMHSA-N 0 0 194.282 1.832 10 0 ADAERN CCCC(=O)[C@@H]1COC(C)(C)O1 238241938 572998437 /nfs/dbraw/zinc/99/84/37/572998437.db2.gz CRVHKUDNYSEITC-QMMMGPOBSA-N 0 0 172.224 1.507 10 0 ADAERN COc1cc(Cl)cnc1NC=O 113288910 572998452 /nfs/dbraw/zinc/99/84/52/572998452.db2.gz UWXYPKRZCILCPM-UHFFFAOYSA-N 0 0 186.598 1.312 10 0 ADAERN CC/C=C/C(=O)NCC1(F)CCC1 308219362 572998467 /nfs/dbraw/zinc/99/84/67/572998467.db2.gz KMLSNXLCOWZMSR-HWKANZROSA-N 0 0 185.242 1.961 10 0 ADAERN CCCCC1=C[C@@H]1CO 238241126 572998469 /nfs/dbraw/zinc/99/84/69/572998469.db2.gz KQMCDMRZBUJRPH-MRVPVSSYSA-N 0 0 126.199 1.725 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]1[NH+]1CC=CC1 113285635 572998470 /nfs/dbraw/zinc/99/84/70/572998470.db2.gz VXDSNSDLQUYKGD-IUCAKERBSA-N 0 0 181.235 1.112 10 0 ADAERN CCC[N@@H+]1CC2CC(C2)[C@@H]1C(=O)[O-] 257919502 572998476 /nfs/dbraw/zinc/99/84/76/572998476.db2.gz RFYFMHXGXCDJII-AMDVSUOASA-N 0 0 183.251 1.191 10 0 ADAERN CCCc1nc(Cl)cc(=O)[nH]1 87907516 572998488 /nfs/dbraw/zinc/99/84/88/572998488.db2.gz MZELTEKZLOXXGW-UHFFFAOYSA-N 0 0 172.615 1.376 10 0 ADAERN CCCCC1=C[C@H](O)C1 238241470 572998498 /nfs/dbraw/zinc/99/84/98/572998498.db2.gz OREQMCRWYZLQGD-QMMMGPOBSA-N 0 0 126.199 1.868 10 0 ADAERN CC[C@@H](O)C(=O)NC(C)(C)C1CC1 308219037 572998501 /nfs/dbraw/zinc/99/85/01/572998501.db2.gz KJSONWDQFLHXFX-MRVPVSSYSA-N 0 0 185.267 1.062 10 0 ADAERN OCCc1ccc2c(c1F)CCO2 258209866 572998615 /nfs/dbraw/zinc/99/86/15/572998615.db2.gz ZIQWEKZUGVDSNE-UHFFFAOYSA-N 0 0 182.194 1.295 10 0 ADAERN ONCc1ccc2c(c1)OCS2 258209740 572998516 /nfs/dbraw/zinc/99/85/16/572998516.db2.gz ZFKBAZMZCYRISC-UHFFFAOYSA-N 0 0 183.232 1.607 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]1[NH+]1CC=CC1 113285632 572998524 /nfs/dbraw/zinc/99/85/24/572998524.db2.gz VXDSNSDLQUYKGD-DTWKUNHWSA-N 0 0 181.235 1.112 10 0 ADAERN C[C@@H](O)c1cccc(OC2COC2)c1 258211976 572998525 /nfs/dbraw/zinc/99/85/25/572998525.db2.gz ZNQQWXJSDGVBHW-MRVPVSSYSA-N 0 0 194.230 1.518 10 0 ADAERN CCC1=CC[C@H](CO)[C@H](CO)C1 238241270 572998555 /nfs/dbraw/zinc/99/85/55/572998555.db2.gz WWQQUVPUIRNVRQ-ZJUUUORDSA-N 0 0 170.252 1.334 10 0 ADAERN CC(C)c1nc(Cl)cc(=O)[nH]1 87908438 572998567 /nfs/dbraw/zinc/99/85/67/572998567.db2.gz SYFHLNPUIWQMTB-UHFFFAOYSA-N 0 0 172.615 1.547 10 0 ADAERN CC[C@H](OC)C(=O)CCCCOC 308218252 572998568 /nfs/dbraw/zinc/99/85/68/572998568.db2.gz NDPXRYWGMLNYPL-JTQLQIEISA-N 0 0 188.267 1.797 10 0 ADAERN CCCc1cn2c(N)cccc2n1 257917557 572998640 /nfs/dbraw/zinc/99/86/40/572998640.db2.gz JPNMAYBRKHWPQJ-UHFFFAOYSA-N 0 0 175.235 1.869 10 0 ADAERN CCCC(=O)[C@@H](C)CCO 238240584 572999048 /nfs/dbraw/zinc/99/90/48/572999048.db2.gz STPFIUMIPKDPNN-ZETCQYMHSA-N 0 0 144.214 1.374 10 0 ADAERN CCCC[C@H]1CC(=O)NC(=O)S1 238241741 572999073 /nfs/dbraw/zinc/99/90/73/572999073.db2.gz JMIAYSFPJFTPPQ-LURJTMIESA-N 0 0 187.264 1.918 10 0 ADAERN CCCc1ncc([C@H](C)O)o1 258209299 572999081 /nfs/dbraw/zinc/99/90/81/572999081.db2.gz UIGCQWNJHOCZIT-LURJTMIESA-N 0 0 155.197 1.680 10 0 ADAERN Cc1cc(Cl)cc(CCO)c1O 258212018 572999087 /nfs/dbraw/zinc/99/90/87/572999087.db2.gz ZOGWFVBEPSPFPN-UHFFFAOYSA-N 0 0 186.638 1.889 10 0 ADAERN CCc1nc(NCC2CC2)cc(N)[nH+]1 87906212 572999092 /nfs/dbraw/zinc/99/90/92/572999092.db2.gz KMCNKILKVNOBLC-UHFFFAOYSA-N 0 0 192.266 1.443 10 0 ADAERN CCc1nc(NC(C)C)c(C)c(N)[nH+]1 87917893 572999144 /nfs/dbraw/zinc/99/91/44/572999144.db2.gz SGQIKYCZCLUJQS-UHFFFAOYSA-N 0 0 194.282 1.750 10 0 ADAERN C[C@H]1CC[C@@H](C(C)(C)NN)C(=O)C1 104538510 572999161 /nfs/dbraw/zinc/99/91/61/572999161.db2.gz NQVWHUUNFIMSCQ-JGVFFNPUSA-N 0 0 184.283 1.234 10 0 ADAERN NOCCc1ccc2snnc2c1 258212012 572999163 /nfs/dbraw/zinc/99/91/63/572999163.db2.gz ZOGUAWKJBXIABQ-UHFFFAOYSA-N 0 0 195.247 1.124 10 0 ADAERN COc1cccc([C@@H](C)CO)c1O 258209702 572999176 /nfs/dbraw/zinc/99/91/76/572999176.db2.gz ZEMOTXYTMUWVHY-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN CNc1nc(C(C)C)nc(OC)c1C 87918179 572999236 /nfs/dbraw/zinc/99/92/36/572999236.db2.gz GEWBCXRGVVAWKK-UHFFFAOYSA-N 0 0 195.266 1.959 10 0 ADAERN CCSCc1nc(N)c[nH]1 257918274 572999261 /nfs/dbraw/zinc/99/92/61/572999261.db2.gz QYUATBIVILITMV-UHFFFAOYSA-N 0 0 157.242 1.245 10 0 ADAERN CC1C[C@@H]2C[NH2+]C[C@H](C1)C2CC(=O)[O-] 258210611 572999276 /nfs/dbraw/zinc/99/92/76/572999276.db2.gz XRRQSIGXUGTFKK-XWJSGITJSA-N 0 0 197.278 1.343 10 0 ADAERN CONC(=O)NCCCCC(C)C 308472113 572999286 /nfs/dbraw/zinc/99/92/86/572999286.db2.gz KXYWZWRVUORWOP-UHFFFAOYSA-N 0 0 188.271 1.673 10 0 ADAERN CCNc1cc(N)[nH+]c(C(C)(C)C)n1 87908970 572999294 /nfs/dbraw/zinc/99/92/94/572999294.db2.gz UPBGWMRCZRPFLV-UHFFFAOYSA-N 0 0 194.282 1.788 10 0 ADAERN CCC[C@H](C[C@H](C)C(=O)[O-])[NH+](C)C 259302648 572999316 /nfs/dbraw/zinc/99/93/16/572999316.db2.gz DDPGIEPFKCFUEB-DTWKUNHWSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@H](O)CCC[N@@H+]1CC[C@@](C)(F)C1 308218278 572999488 /nfs/dbraw/zinc/99/94/88/572999488.db2.gz AYENGXBMMUAHFP-VHSXEESVSA-N 0 0 189.274 1.581 10 0 ADAERN NNc1c(N)cnc2ccccc12 104545558 572999347 /nfs/dbraw/zinc/99/93/47/572999347.db2.gz TWQRUNHQIZIPOB-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN Cc1noc(N[C@@]2(C)CCO[C@@H]2C)n1 235679902 572999353 /nfs/dbraw/zinc/99/93/53/572999353.db2.gz SHKMDBDPQMUUNN-MUWHJKNJSA-N 0 0 197.238 1.357 10 0 ADAERN NOCc1cccc(OCC2CC2)c1 258209802 572999358 /nfs/dbraw/zinc/99/93/58/572999358.db2.gz ZGORPFWOIYIQQF-UHFFFAOYSA-N 0 0 193.246 1.866 10 0 ADAERN CN(CC1CC1)C(=O)c1ccno1 308219272 572999363 /nfs/dbraw/zinc/99/93/63/572999363.db2.gz BPZDNSUFVDTKKD-UHFFFAOYSA-N 0 0 180.207 1.157 10 0 ADAERN C[C@H]1Cc2c(CCO)cccc2N1C 258210028 572999369 /nfs/dbraw/zinc/99/93/69/572999369.db2.gz VCSWXQQVCVSDGF-VIFPVBQESA-N 0 0 191.274 1.602 10 0 ADAERN O=C1CCN[C@H]1c1cccc(Cl)c1 107186172 572999386 /nfs/dbraw/zinc/99/93/86/572999386.db2.gz VGFUGHKTODTDFR-JTQLQIEISA-N 0 0 195.649 1.944 10 0 ADAERN Cc1ccc2[nH]c(=O)cc(NN)c2c1 104535770 572999489 /nfs/dbraw/zinc/99/94/89/572999489.db2.gz ALTMFWRGNKPSGI-UHFFFAOYSA-N 0 0 189.218 1.122 10 0 ADAERN CC(C)SC(=O)c1ccn(C)c1N 257919698 572999414 /nfs/dbraw/zinc/99/94/14/572999414.db2.gz NKLYYNBDZQSYEF-UHFFFAOYSA-N 0 0 198.291 1.889 10 0 ADAERN O=C1CCN[C@@H]1c1cccc(Cl)c1 107186170 572999451 /nfs/dbraw/zinc/99/94/51/572999451.db2.gz VGFUGHKTODTDFR-SNVBAGLBSA-N 0 0 195.649 1.944 10 0 ADAERN CCNc1cc(NCC)[nH+]c(CC)n1 87906208 572999456 /nfs/dbraw/zinc/99/94/56/572999456.db2.gz WVTQWSRVKMMPRQ-UHFFFAOYSA-N 0 0 194.282 1.903 10 0 ADAERN CCCc1nc(NCC)cc(=O)[nH]1 87907874 572999483 /nfs/dbraw/zinc/99/94/83/572999483.db2.gz AAPQDQCACINGNZ-UHFFFAOYSA-N 0 0 181.239 1.154 10 0 ADAERN COc1nccc2ccc(CO)cc12 258211919 572999490 /nfs/dbraw/zinc/99/94/90/572999490.db2.gz ZMKDVFZYOFPXTL-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN CC[C@H](O)[C@H](O)c1ccc(C)c(F)c1 223841656 572999509 /nfs/dbraw/zinc/99/95/09/572999509.db2.gz ISNYKOFYEYVHJH-WDEREUQCSA-N 0 0 198.237 1.938 10 0 ADAERN CCc1nc(NC)cc(SC)n1 87906711 572999510 /nfs/dbraw/zinc/99/95/10/572999510.db2.gz HOBGWKQNNGUSOO-UHFFFAOYSA-N 0 0 183.280 1.803 10 0 ADAERN NNc1cccc2c(NN)cccc12 104535656 572999511 /nfs/dbraw/zinc/99/95/11/572999511.db2.gz RZMRBMNBIJAXFF-UHFFFAOYSA-N 0 0 188.234 1.411 10 0 ADAERN NOCc1ccc(CCCF)cc1 258211895 572999531 /nfs/dbraw/zinc/99/95/31/572999531.db2.gz ZLVVJKDKMRKPMM-UHFFFAOYSA-N 0 0 183.226 1.979 10 0 ADAERN CCCN(C)C(=O)N1CC[C@H]1CC 308219565 572999537 /nfs/dbraw/zinc/99/95/37/572999537.db2.gz KPYXNJNMBPMOED-SECBINFHSA-N 0 0 184.283 1.933 10 0 ADAERN CNc1cc(=O)[nH]c(C(C)(C)C)n1 87909295 572999544 /nfs/dbraw/zinc/99/95/44/572999544.db2.gz HNNRANJUDMOIMV-UHFFFAOYSA-N 0 0 181.239 1.109 10 0 ADAERN CC/C=C\C(=O)NCC1(F)CCC1 308219365 572999548 /nfs/dbraw/zinc/99/95/48/572999548.db2.gz KMLSNXLCOWZMSR-HYXAFXHYSA-N 0 0 185.242 1.961 10 0 ADAERN NNc1ccc2ccc(N)cc2c1 104538637 572999559 /nfs/dbraw/zinc/99/95/59/572999559.db2.gz PLDSZYPDVHQIOZ-UHFFFAOYSA-N 0 0 173.219 1.708 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C1CCCC1)[NH+](C)C 259302432 572999560 /nfs/dbraw/zinc/99/95/60/572999560.db2.gz DCVUTGBAQDTLSN-WCBMZHEXSA-N 0 0 199.294 1.828 10 0 ADAERN O=C([O-])[C@H]1CCCC[C@H]1[NH+]1CC=CC1 113285647 572999568 /nfs/dbraw/zinc/99/95/68/572999568.db2.gz SFAUFUHJTZXKAX-VHSXEESVSA-N 0 0 195.262 1.502 10 0 ADAERN CN[C@H](N)c1ccc(F)c(Cl)c1 259302292 572999578 /nfs/dbraw/zinc/99/95/78/572999578.db2.gz KDFCXXBFKGGKQK-QMMMGPOBSA-N 0 0 188.633 1.656 10 0 ADAERN COCCCCC(=O)[C@@H]1CCOC1 308218069 572999599 /nfs/dbraw/zinc/99/95/99/572999599.db2.gz MWZUVGSZSNFEMD-SECBINFHSA-N 0 0 186.251 1.409 10 0 ADAERN Cc1ccnc2ccc(NN)cc12 104539980 572999608 /nfs/dbraw/zinc/99/96/08/572999608.db2.gz WRXKCXLKHCOUIP-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN C[C@H](O)Cc1cccc2c1CCN2 257918344 572999612 /nfs/dbraw/zinc/99/96/12/572999612.db2.gz RCWQBYVYTXMHOI-QMMMGPOBSA-N 0 0 177.247 1.578 10 0 ADAERN O=C1N[C@@H](c2ccccc2)SC1=O 113266555 572999624 /nfs/dbraw/zinc/99/96/24/572999624.db2.gz GLSYWLKXRVCFLH-MRVPVSSYSA-N 0 0 193.227 1.075 10 0 ADAERN CCCCC(C)(C)NN 104534347 572999625 /nfs/dbraw/zinc/99/96/25/572999625.db2.gz NMQMMQUELMZLIA-UHFFFAOYSA-N 0 0 130.235 1.419 10 0 ADAERN Cc1c(CCCO)cnn1C1CC1 257918381 572999638 /nfs/dbraw/zinc/99/96/38/572999638.db2.gz RDPPGXLPIRIINZ-UHFFFAOYSA-N 0 0 180.251 1.451 10 0 ADAERN OCc1cnn(C2CCC2)c1Cl 257917657 572999646 /nfs/dbraw/zinc/99/96/46/572999646.db2.gz IWXVTJCACBFAQD-UHFFFAOYSA-N 0 0 186.642 1.754 10 0 ADAERN Cc1cc(F)cc([C@@H](C)CO)c1O 258209816 572999652 /nfs/dbraw/zinc/99/96/52/572999652.db2.gz ZHFZAIXSFDZCBI-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN CC(C)C[C@@H](CO)Cc1cnn(C)n1 308471985 572999654 /nfs/dbraw/zinc/99/96/54/572999654.db2.gz IHGFDSJAKKVZNL-SECBINFHSA-N 0 0 197.282 1.012 10 0 ADAERN NOCc1cccc(OC(F)F)c1 258209727 572999711 /nfs/dbraw/zinc/99/97/11/572999711.db2.gz ZFHICNOKGSXWJS-UHFFFAOYSA-N 0 0 189.161 1.678 10 0 ADAERN CC1(C)[C@@H](/C=C\CO)[C@H]1/C=C\CO 308218949 572999718 /nfs/dbraw/zinc/99/97/18/572999718.db2.gz NMVLCTVASHJKFN-LNYFIEMMSA-N 0 0 182.263 1.356 10 0 ADAERN C[C@H](O)C[C@H]1Cc2cc(O)ccc2N1 258212110 572999739 /nfs/dbraw/zinc/99/97/39/572999739.db2.gz VHHYENXJJNCEFC-CBAPKCEASA-N 0 0 193.246 1.500 10 0 ADAERN CCCCP(=O)(CO)CO 238242496 572999754 /nfs/dbraw/zinc/99/97/54/572999754.db2.gz YTDJKLNGYADELM-UHFFFAOYSA-N 0 0 166.157 1.049 10 0 ADAERN CCC[C@@H](C[C@H](C)C(=O)[O-])[NH+](C)C 259302655 572999756 /nfs/dbraw/zinc/99/97/56/572999756.db2.gz DDPGIEPFKCFUEB-IUCAKERBSA-N 0 0 187.283 1.828 10 0 ADAERN CC1(c2ccccc2)[C@@H](O)CC[C@@H]1O 238242426 572999761 /nfs/dbraw/zinc/99/97/61/572999761.db2.gz GQJAZDSPXYGTOE-QWRGUYRKSA-N 0 0 192.258 1.460 10 0 ADAERN Cc1c(N)ccc2c1CCC(=O)N2C 257918379 572999762 /nfs/dbraw/zinc/99/97/62/572999762.db2.gz NEQXOUNJSHDACL-UHFFFAOYSA-N 0 0 190.246 1.486 10 0 ADAERN CCCC(=O)[C@@H]1O[C@@H]1CC 238242298 572999767 /nfs/dbraw/zinc/99/97/67/572999767.db2.gz UMSDKJBYNLFUSG-SFYZADRCSA-N 0 0 142.198 1.533 10 0 ADAERN CCN1C(=O)Cc2ccc(N)cc21 257917758 572999772 /nfs/dbraw/zinc/99/97/72/572999772.db2.gz BUMLUPHRNJCFCY-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN NC(N)c1csc2ccccc12 259594229 572999795 /nfs/dbraw/zinc/99/97/95/572999795.db2.gz ZYXVAHAXFDUAOO-UHFFFAOYSA-N 0 0 178.260 1.817 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C1CCCC1)[NH+](C)C 259302428 572999800 /nfs/dbraw/zinc/99/98/00/572999800.db2.gz DCVUTGBAQDTLSN-SCZZXKLOSA-N 0 0 199.294 1.828 10 0 ADAERN OCCc1cnc([C@@H]2CCCS2)o1 257917880 572999829 /nfs/dbraw/zinc/99/98/29/572999829.db2.gz CYKOQLOPOVHYSR-QMMMGPOBSA-N 0 0 199.275 1.778 10 0 ADAERN CC(C)[C@]([NH3+])(C(=O)[O-])C(C)(C)F 257922286 572999837 /nfs/dbraw/zinc/99/98/37/572999837.db2.gz RPXAGYATNFPUKO-QMMMGPOBSA-N 0 0 177.219 1.173 10 0 ADAERN COC(=O)CC[C@@]1(C)CC[C@H]1CO 308219632 572999838 /nfs/dbraw/zinc/99/98/38/572999838.db2.gz NUMPNPFZGQXVQV-WCBMZHEXSA-N 0 0 186.251 1.348 10 0 ADAERN CSc1cc(C)c(O)cc1CCO 258210740 573000381 /nfs/dbraw/zinc/00/03/81/573000381.db2.gz UAOGNLATIFVBAH-UHFFFAOYSA-N 0 0 198.287 1.957 10 0 ADAERN COCCCC[C@@H](O)C[C@@H](C)OC 308218232 573000411 /nfs/dbraw/zinc/00/04/11/573000411.db2.gz NBUZNPXAXNUVAK-NXEZZACHSA-N 0 0 190.283 1.589 10 0 ADAERN COc1nc2c(cc1Cl)CCN2 257918294 573000451 /nfs/dbraw/zinc/00/04/51/573000451.db2.gz RBYOGRXGHGDHTI-UHFFFAOYSA-N 0 0 184.626 1.712 10 0 ADAERN C[C@@H]1CC[C@@H](C(C)(C)NN)C(=O)C1 104538504 573000322 /nfs/dbraw/zinc/00/03/22/573000322.db2.gz 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WRADHWUWQLGGMF-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN CC(C)c1cccc(=O)c(NN)c1 104538332 573000408 /nfs/dbraw/zinc/00/04/08/573000408.db2.gz BWWZWOVOYNMDEH-UHFFFAOYSA-N 0 0 178.235 1.456 10 0 ADAERN CCCc1ncc([C@@H](C)O)o1 258209300 573000422 /nfs/dbraw/zinc/00/04/22/573000422.db2.gz UIGCQWNJHOCZIT-ZCFIWIBFSA-N 0 0 155.197 1.680 10 0 ADAERN C[C@@H](O)c1cn(C)c2cc(O)ccc12 257918063 573000423 /nfs/dbraw/zinc/00/04/23/573000423.db2.gz OFNNRHOANHMSPW-SSDOTTSWSA-N 0 0 191.230 1.937 10 0 ADAERN C[C@@H]1CC[C@H](C(C)(C)NN)C(=O)C1 104538496 573000441 /nfs/dbraw/zinc/00/04/41/573000441.db2.gz NQVWHUUNFIMSCQ-SFYZADRCSA-N 0 0 184.283 1.234 10 0 ADAERN COC[C@@H](C)COC(=O)CC(C)C 308217776 573000475 /nfs/dbraw/zinc/00/04/75/573000475.db2.gz AVVIEMGORXQLDA-SECBINFHSA-N 0 0 188.267 1.858 10 0 ADAERN C[C@@]1(c2cccs2)CNC(=O)CO1 258212798 573000502 /nfs/dbraw/zinc/00/05/02/573000502.db2.gz GGBRHKUDORLJHY-VIFPVBQESA-N 0 0 197.259 1.110 10 0 ADAERN COc1cc(OC)c(CNO)cc1C 258211882 573000536 /nfs/dbraw/zinc/00/05/36/573000536.db2.gz ZLPLSMQVUUMKDC-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN COCCCCC(=O)[C@H]1CCOC1 308218070 573000614 /nfs/dbraw/zinc/00/06/14/573000614.db2.gz MWZUVGSZSNFEMD-VIFPVBQESA-N 0 0 186.251 1.409 10 0 ADAERN CCc1nc(N)c(C)c(SC)n1 87918385 573000615 /nfs/dbraw/zinc/00/06/15/573000615.db2.gz NXNQMLSCHWSULS-UHFFFAOYSA-N 0 0 183.280 1.652 10 0 ADAERN CCN1N=CC(=O)C1C(C)(C)C 258470666 573000619 /nfs/dbraw/zinc/00/06/19/573000619.db2.gz IIGOTWZJNRTQDE-UHFFFAOYSA-N 0 0 168.240 1.906 10 0 ADAERN COc1cccc(CON)c1CF 258211905 573000620 /nfs/dbraw/zinc/00/06/20/573000620.db2.gz ZMDBBHYGKSDLEV-UHFFFAOYSA-N 0 0 185.198 1.555 10 0 ADAERN NN=c1ccc2nc(Cl)ccc2[nH]1 104544232 573000640 /nfs/dbraw/zinc/00/06/40/573000640.db2.gz JSJPJZXWELSROT-UHFFFAOYSA-N 0 0 194.625 1.569 10 0 ADAERN C[NH2+]Cc1ccc(C(=O)[O-])cc1C 258212601 573000645 /nfs/dbraw/zinc/00/06/45/573000645.db2.gz WOKYZRQRJQGXGV-UHFFFAOYSA-N 0 0 179.219 1.413 10 0 ADAERN COCCN(C)c1c(N)cccc1F 308471960 573000666 /nfs/dbraw/zinc/00/06/66/573000666.db2.gz JRTQTRDAICHRSA-UHFFFAOYSA-N 0 0 198.241 1.491 10 0 ADAERN CCSc1ncc(F)c(NN)n1 104544107 573000685 /nfs/dbraw/zinc/00/06/85/573000685.db2.gz RYGBEGICFAOBMC-UHFFFAOYSA-N 0 0 188.231 1.013 10 0 ADAERN Cc1ccc(C[C@@H](C)O)c2c1OCO2 258209854 573000687 /nfs/dbraw/zinc/00/06/87/573000687.db2.gz ZILORRIVOXDOPX-MRVPVSSYSA-N 0 0 194.230 1.647 10 0 ADAERN COc1ccc(C)c(O)c1CCO 258209708 573000693 /nfs/dbraw/zinc/00/06/93/573000693.db2.gz ZESPZDMMMQIASE-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN CC(C)(O)c1cc(CO)ccc1F 258209818 573000572 /nfs/dbraw/zinc/00/05/72/573000572.db2.gz ZHIDXSUGUCFUHW-UHFFFAOYSA-N 0 0 184.210 1.545 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]1[NH+]1CCCCCC1 87920179 573000703 /nfs/dbraw/zinc/00/07/03/573000703.db2.gz IYHBODINOYBJDA-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN CCCC[C@@H](C)NN 104534336 573000712 /nfs/dbraw/zinc/00/07/12/573000712.db2.gz BDXOEYFLOUUQEJ-ZCFIWIBFSA-N 0 0 116.208 1.028 10 0 ADAERN CCCNc1nc(CC)[nH]c(=O)c1C 87918255 573000732 /nfs/dbraw/zinc/00/07/32/573000732.db2.gz ULGYLFYDXWADNI-UHFFFAOYSA-N 0 0 195.266 1.463 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H]1/C=C\CC(=O)[O-] 258210324 573000736 /nfs/dbraw/zinc/00/07/36/573000736.db2.gz OAUDHIDYUJBEAJ-ATPLWMGHSA-N 0 0 197.278 1.890 10 0 ADAERN CC(C)=CC[C@H](C)[C@H](CO)CCO 238408762 573000769 /nfs/dbraw/zinc/00/07/69/573000769.db2.gz PQSHDDNEQAHJEY-QWRGUYRKSA-N 0 0 186.295 1.970 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H]1/C=C\CC(=O)[O-] 258210326 573000777 /nfs/dbraw/zinc/00/07/77/573000777.db2.gz OAUDHIDYUJBEAJ-TZGMSPROSA-N 0 0 197.278 1.890 10 0 ADAERN OC1(c2ccc3snnc3c2)CC1 258209765 573000797 /nfs/dbraw/zinc/00/07/97/573000797.db2.gz ZGDGICVRTAPDKY-UHFFFAOYSA-N 0 0 192.243 1.673 10 0 ADAERN COC[C@@H](C)OC(=O)C1CC(C)C1 308219223 573000821 /nfs/dbraw/zinc/00/08/21/573000821.db2.gz BNZGQNUMMJAMPW-QJAFJHJLSA-N 0 0 186.251 1.611 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2cc(O)ccc2N1 258212107 573000832 /nfs/dbraw/zinc/00/08/32/573000832.db2.gz VHHYENXJJNCEFC-APPZFPTMSA-N 0 0 193.246 1.500 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[NH+]1CCCCCC1 87920180 573000833 /nfs/dbraw/zinc/00/08/33/573000833.db2.gz IYHBODINOYBJDA-ZJUUUORDSA-N 0 0 197.278 1.726 10 0 ADAERN COc1ccc(CC(C)(C)ON)cc1 259303938 573000836 /nfs/dbraw/zinc/00/08/36/573000836.db2.gz BRGHFTLLWVUCDF-UHFFFAOYSA-N 0 0 195.262 1.907 10 0 ADAERN CC1(C)[C@@H](/C=C\CO)[C@H]1/C=C/CO 308218958 573000837 /nfs/dbraw/zinc/00/08/37/573000837.db2.gz NMVLCTVASHJKFN-QQMKGDIISA-N 0 0 182.263 1.356 10 0 ADAERN Cc1ccc([C@H]2CC(=O)NO2)cc1 257918336 573000853 /nfs/dbraw/zinc/00/08/53/573000853.db2.gz RCWBRVVCHUIXAH-SECBINFHSA-N 0 0 177.203 1.488 10 0 ADAERN COc1cc(CO)c(C)c(C)c1O 258211946 573000872 /nfs/dbraw/zinc/00/08/72/573000872.db2.gz ZMYVSQVGUVXGMW-UHFFFAOYSA-N 0 0 182.219 1.510 10 0 ADAERN CSc1ccccc1CCON 258209715 573000901 /nfs/dbraw/zinc/00/09/01/573000901.db2.gz ZEWNUDBZLIWDSK-UHFFFAOYSA-N 0 0 183.276 1.841 10 0 ADAERN COC(=O)[C@H]1C[C@@H](C2CCCC2)N1 257923641 573000905 /nfs/dbraw/zinc/00/09/05/573000905.db2.gz RUGBCGZBICMVTN-DTWKUNHWSA-N 0 0 183.251 1.080 10 0 ADAERN O=C(/C=C/Cl)N1CCCC1 223844461 573000925 /nfs/dbraw/zinc/00/09/25/573000925.db2.gz OKYRQZWOBXDTQS-ONEGZZNKSA-N 0 0 159.616 1.361 10 0 ADAERN CC(C)c1cc2ncc(O)cn2n1 258212590 573000926 /nfs/dbraw/zinc/00/09/26/573000926.db2.gz JYNQETFVEPEJCQ-UHFFFAOYSA-N 0 0 177.207 1.558 10 0 ADAERN CCN1CCc2cccc(CO)c21 257919729 573000930 /nfs/dbraw/zinc/00/09/30/573000930.db2.gz OJVQVGYOAYTRLK-UHFFFAOYSA-N 0 0 177.247 1.561 10 0 ADAERN C[C@@H]1Cc2ccc(CON)cc2N1C 258212051 573000937 /nfs/dbraw/zinc/00/09/37/573000937.db2.gz VGVIYKNZHXFKMB-MRVPVSSYSA-N 0 0 192.262 1.458 10 0 ADAERN CC1=CC[C@@H]2C(=O)C=C(O)[C@H]2C1 238244402 573000943 /nfs/dbraw/zinc/00/09/43/573000943.db2.gz HUNIRQRYEQGOSJ-YUMQZZPRSA-N 0 0 164.204 1.501 10 0 ADAERN CC1=C[C@H]2C(=O)CCC(=O)[C@H]12 238250850 573000958 /nfs/dbraw/zinc/00/09/58/573000958.db2.gz AOOCCUGOZFXFJB-IMTBSYHQSA-N 0 0 150.177 1.111 10 0 ADAERN Cc1cc(Cl)cc(NN)c1 104539939 573000959 /nfs/dbraw/zinc/00/09/59/573000959.db2.gz DMZRFMNMPQHFGY-UHFFFAOYSA-N 0 0 156.616 1.934 10 0 ADAERN NNc1cc(Cl)cc(Cl)c1O 104534411 573000965 /nfs/dbraw/zinc/00/09/65/573000965.db2.gz GVAOSLWUCIVMNB-UHFFFAOYSA-N 0 0 193.033 1.985 10 0 ADAERN CCCC(=O)[C@H]1C[C@H]1OC 238244056 573000967 /nfs/dbraw/zinc/00/09/67/573000967.db2.gz LEKKZBWDTJMXQC-HTRCEHHLSA-N 0 0 142.198 1.391 10 0 ADAERN CN1C[C@@H](c2cc[nH]c2)N(C)C1=O 259303818 573000973 /nfs/dbraw/zinc/00/09/73/573000973.db2.gz GINQTJAVVHGFPJ-QMMMGPOBSA-N 0 0 179.223 1.053 10 0 ADAERN CCCCOC(=O)c1nonc1C 308219469 573000981 /nfs/dbraw/zinc/00/09/81/573000981.db2.gz KOCHAWBAYFDGQT-UHFFFAOYSA-N 0 0 184.195 1.335 10 0 ADAERN Cc1cc2cc(NN)ccc2c(=O)[nH]1 104541429 573000990 /nfs/dbraw/zinc/00/09/90/573000990.db2.gz HWAUMCSCHNKTQO-UHFFFAOYSA-N 0 0 189.218 1.122 10 0 ADAERN Cc1ccc2c(c1)CC[C@]2(O)CO 257918380 573001001 /nfs/dbraw/zinc/00/10/01/573001001.db2.gz RDPBLOWHOSBXDQ-NSHDSACASA-N 0 0 178.231 1.121 10 0 ADAERN CC(C)N1CCc2c(CO)cccc21 257918057 573001021 /nfs/dbraw/zinc/00/10/21/573001021.db2.gz OFJGYJUQDRRRKV-UHFFFAOYSA-N 0 0 191.274 1.950 10 0 ADAERN CCCc1nc(CC(C)=O)co1 258209445 573001056 /nfs/dbraw/zinc/00/10/56/573001056.db2.gz UJKJMGMASLIFIO-UHFFFAOYSA-N 0 0 167.208 1.759 10 0 ADAERN CCCNc1ncnc2ocnc12 238250676 573001074 /nfs/dbraw/zinc/00/10/74/573001074.db2.gz PHEGDHZRGOTMIV-UHFFFAOYSA-N 0 0 178.195 1.440 10 0 ADAERN C[N@@H+](C1CCCC1)[C@@H]1CC[C@@H]1C(=O)[O-] 87920250 573001083 /nfs/dbraw/zinc/00/10/83/573001083.db2.gz LAMRRRNLXDDBPS-VHSXEESVSA-N 0 0 197.278 1.724 10 0 ADAERN CCC1=N[C@](C)(CC)N[C@H]1C 238243906 573001088 /nfs/dbraw/zinc/00/10/88/573001088.db2.gz JNAPNBGFMIGSDN-IONNQARKSA-N 0 0 154.257 1.955 10 0 ADAERN CNc1cccc(C2COC2)c1 259303944 573001098 /nfs/dbraw/zinc/00/10/98/573001098.db2.gz GIXMDSOQTKHUOS-UHFFFAOYSA-N 0 0 163.220 1.842 10 0 ADAERN NNc1ccc2ccc(O)cc2c1 104542744 573001101 /nfs/dbraw/zinc/00/11/01/573001101.db2.gz KHQGBWLTESFWRN-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN OC1(c2cc3c(cc2F)OCC3)CC1 258211926 573001107 /nfs/dbraw/zinc/00/11/07/573001107.db2.gz ZMMZQDNBRURGRF-UHFFFAOYSA-N 0 0 194.205 1.742 10 0 ADAERN Oc1ccc2c(c1)CC=C2 113328378 573001130 /nfs/dbraw/zinc/00/11/30/573001130.db2.gz PODHIIGQVAJGOK-UHFFFAOYSA-N 0 0 132.162 1.962 10 0 ADAERN C[C@H]1CCC[C@@H](CN2CNCC2=O)C1 235679489 573001145 /nfs/dbraw/zinc/00/11/45/573001145.db2.gz HEFBITMNGVNPOU-VHSXEESVSA-N 0 0 196.294 1.202 10 0 ADAERN CNc1nc(C(C)C)[nH]c(=O)c1C 87918253 573001146 /nfs/dbraw/zinc/00/11/46/573001146.db2.gz ZMTMPMCFLCNMMN-UHFFFAOYSA-N 0 0 181.239 1.243 10 0 ADAERN CCCc1nnc2c(C)cccn12 258213113 573001160 /nfs/dbraw/zinc/00/11/60/573001160.db2.gz KMPXOOZIHSRVJY-UHFFFAOYSA-N 0 0 175.235 1.990 10 0 ADAERN CCOc1c(C)cc(NN)cc1C 104534472 573001168 /nfs/dbraw/zinc/00/11/68/573001168.db2.gz STCXPJKFVIOEJV-UHFFFAOYSA-N 0 0 180.251 1.988 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[NH+]1CCCCC1 87920190 573001169 /nfs/dbraw/zinc/00/11/69/573001169.db2.gz JDWVFCGZXWBAED-BDAKNGLRSA-N 0 0 183.251 1.336 10 0 ADAERN Cn1cccc1C[N@H+](C)C(C)(C)CO 128355180 573001170 /nfs/dbraw/zinc/00/11/70/573001170.db2.gz PMBIVEDMHDHWMP-UHFFFAOYSA-N 0 0 196.294 1.228 10 0 ADAERN COC(=O)[C@@]1(C(C)C)CCCCN1 258209147 573002018 /nfs/dbraw/zinc/00/20/18/573002018.db2.gz QJIVFXWXDDLSLP-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CN(C)c1cccc(CC2(O)CC2)c1 258212039 573002092 /nfs/dbraw/zinc/00/20/92/573002092.db2.gz ZOLJDEODQINYIB-UHFFFAOYSA-N 0 0 191.274 1.820 10 0 ADAERN c1ccc2c(c1)CN[C@@H]2c1cnco1 104537451 573002155 /nfs/dbraw/zinc/00/21/55/573002155.db2.gz JTMRFBNQJYWRJB-NSHDSACASA-N 0 0 186.214 1.867 10 0 ADAERN CC(C)(C)c1cnc(NC#N)nc1 259303957 573001473 /nfs/dbraw/zinc/00/14/73/573001473.db2.gz OQFWYUUZICBCNC-UHFFFAOYSA-N 0 0 176.223 1.667 10 0 ADAERN CC1(C)[C@H]2CC[C@]1(C)C=CC(=O)N2 238244956 573001488 /nfs/dbraw/zinc/00/14/88/573001488.db2.gz IYARGDQGHRWRJY-LDYMZIIASA-N 0 0 179.263 1.867 10 0 ADAERN C[C@H](O)Cc1c(F)ccc(F)c1O 258212035 573001491 /nfs/dbraw/zinc/00/14/91/573001491.db2.gz ZOLHJJSJCWYLNF-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN CN1C[C@H](c2cc[nH]c2)N(C)C1=O 259303810 573001500 /nfs/dbraw/zinc/00/15/00/573001500.db2.gz GINQTJAVVHGFPJ-MRVPVSSYSA-N 0 0 179.223 1.053 10 0 ADAERN O=Cc1noc2c1C(F)(F)CCC2 257918452 573001513 /nfs/dbraw/zinc/00/15/13/573001513.db2.gz REJGDZDGPWXUAO-UHFFFAOYSA-N 0 0 187.145 1.915 10 0 ADAERN Cc1ccc(C[C@H](C)O)c2c1OCO2 258209857 573001514 /nfs/dbraw/zinc/00/15/14/573001514.db2.gz ZILORRIVOXDOPX-QMMMGPOBSA-N 0 0 194.230 1.647 10 0 ADAERN CN(C)c1cccc(CCON)c1 257917709 573001519 /nfs/dbraw/zinc/00/15/19/573001519.db2.gz BTYMGXVMQNLBBU-UHFFFAOYSA-N 0 0 180.251 1.185 10 0 ADAERN Cc1cc(=NN)[nH]c2occc12 104541474 573001522 /nfs/dbraw/zinc/00/15/22/573001522.db2.gz ARDIFYABNUFGPK-UHFFFAOYSA-N 0 0 163.180 1.422 10 0 ADAERN CCCC[C@H]1C[C@@H](O)OC1=O 238245228 573001524 /nfs/dbraw/zinc/00/15/24/573001524.db2.gz QJYVESYZOLISKS-BQBZGAKWSA-N 0 0 158.197 1.058 10 0 ADAERN CC[C@H]1OCC[C@@H]1C(=O)OCCF 308220330 573001541 /nfs/dbraw/zinc/00/15/41/573001541.db2.gz KXMCTGJZMVLKSN-JGVFFNPUSA-N 0 0 190.214 1.314 10 0 ADAERN CC/C=C/C(=O)N[C@H](C)CCCO 308219765 573001550 /nfs/dbraw/zinc/00/15/50/573001550.db2.gz KQUNXAUXEVSYBA-ILFKPUCNSA-N 0 0 185.267 1.230 10 0 ADAERN CCC(C)(C)C(C)(C)NC=O 238251609 573010684 /nfs/dbraw/zinc/01/06/84/573010684.db2.gz YSYPXIGTEKJMLT-UHFFFAOYSA-N 0 0 157.257 1.947 10 0 ADAERN CC[N@@H+]1CCC[C@H]1/C=C\CC(=O)[O-] 258210256 573001564 /nfs/dbraw/zinc/00/15/64/573001564.db2.gz NZUKNHRWTUTRSD-AZVKUDOFSA-N 0 0 183.251 1.502 10 0 ADAERN CCCOC(=O)[C@@H]1CC1(C)C 113509414 573011192 /nfs/dbraw/zinc/01/11/92/573011192.db2.gz AFLMCQAZYYOALS-ZETCQYMHSA-N 0 0 156.225 1.986 10 0 ADAERN C[C@@H]1CCCc2nc(CCCO)cn21 258212776 573001617 /nfs/dbraw/zinc/00/16/17/573001617.db2.gz GFULIQLKAUEOFW-SECBINFHSA-N 0 0 194.278 1.705 10 0 ADAERN CCCC(=O)[C@H]1N=C1Cl 238244106 573001631 /nfs/dbraw/zinc/00/16/31/573001631.db2.gz AHGIQUWWTWWZNU-RXMQYKEDSA-N 0 0 145.589 1.375 10 0 ADAERN C[C@H]1Cc2ccc(CON)cc2N1C 258212055 573001638 /nfs/dbraw/zinc/00/16/38/573001638.db2.gz VGVIYKNZHXFKMB-QMMMGPOBSA-N 0 0 192.262 1.458 10 0 ADAERN CCN(C)C(=O)N[C@H](C)CC(F)F 308219852 573001644 /nfs/dbraw/zinc/00/16/44/573001644.db2.gz KTJURYMUCLYZEB-ZCFIWIBFSA-N 0 0 194.225 1.691 10 0 ADAERN C[C@@H](O)Cc1c(F)ccc(F)c1O 258212034 573001662 /nfs/dbraw/zinc/00/16/62/573001662.db2.gz ZOLHJJSJCWYLNF-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN CONCc1cc(O)ccc1OC 258211955 573001675 /nfs/dbraw/zinc/00/16/75/573001675.db2.gz ZNIPOVKQCGGHGK-UHFFFAOYSA-N 0 0 183.207 1.052 10 0 ADAERN CC1=CC[C@@H]2C(=O)C=C(O)[C@@H]2C1 238244227 573001682 /nfs/dbraw/zinc/00/16/82/573001682.db2.gz HUNIRQRYEQGOSJ-JGVFFNPUSA-N 0 0 164.204 1.501 10 0 ADAERN Cc1cc2c(Cl)n[nH]c(=NN)c2o1 104542868 573001685 /nfs/dbraw/zinc/00/16/85/573001685.db2.gz GQJJJGHWJOETOY-UHFFFAOYSA-N 0 0 198.613 1.470 10 0 ADAERN Cc1oc(N)nc1[C@H]1CCCCO1 259598200 573001695 /nfs/dbraw/zinc/00/16/95/573001695.db2.gz CXFPQPHKJSMWIV-SSDOTTSWSA-N 0 0 182.223 1.807 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CC[C@@H]1C(=O)[O-] 87920185 573001703 /nfs/dbraw/zinc/00/17/03/573001703.db2.gz BPWGVKGBPMEQRZ-JGVFFNPUSA-N 0 0 171.240 1.190 10 0 ADAERN C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 87920166 573001717 /nfs/dbraw/zinc/00/17/17/573001717.db2.gz FLHBQUAHPZBBED-KXUCPTDWSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H](O)C(F)(F)[C@@H]1CCCCO1 257918374 573001718 /nfs/dbraw/zinc/00/17/18/573001718.db2.gz RDIPSUNKRHICQV-RQJHMYQMSA-N 0 0 180.194 1.572 10 0 ADAERN CC[C@@H](C)OC(=O)[C@@H]1CCC(=O)O1 308232091 573001730 /nfs/dbraw/zinc/00/17/30/573001730.db2.gz PFZLMVHAFUPFMJ-RQJHMYQMSA-N 0 0 186.207 1.034 10 0 ADAERN C[C@@H]1Cc2c(CCO)cccc2N1C 258210026 573001738 /nfs/dbraw/zinc/00/17/38/573001738.db2.gz VCSWXQQVCVSDGF-SECBINFHSA-N 0 0 191.274 1.602 10 0 ADAERN Cn1nc(-c2ccccc2)cc1NN 104546745 573002681 /nfs/dbraw/zinc/00/26/81/573002681.db2.gz PAPFMPQIRLFGNF-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cc(F)cc([C@H](C)CO)c1O 258209814 573001788 /nfs/dbraw/zinc/00/17/88/573001788.db2.gz ZHFZAIXSFDZCBI-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN C[C@H](O)c1cn(C)c2cc(O)ccc12 257918065 573001821 /nfs/dbraw/zinc/00/18/21/573001821.db2.gz OFNNRHOANHMSPW-ZETCQYMHSA-N 0 0 191.230 1.937 10 0 ADAERN C[C@H]1CCCc2nc(CCCO)cn21 258212778 573001849 /nfs/dbraw/zinc/00/18/49/573001849.db2.gz GFULIQLKAUEOFW-VIFPVBQESA-N 0 0 194.278 1.705 10 0 ADAERN Cn1cc2cc(N)c(Cl)cc2n1 259594658 573001858 /nfs/dbraw/zinc/00/18/58/573001858.db2.gz YRZNRFJEBAPCCO-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cc1n[nH]c2cccc([C@@H](C)CO)c12 258209851 573001864 /nfs/dbraw/zinc/00/18/64/573001864.db2.gz ZIJXXRZJGKNAHA-ZETCQYMHSA-N 0 0 190.246 1.967 10 0 ADAERN O=C1CCCN(c2ccc(O)cc2)C1 259598236 573001866 /nfs/dbraw/zinc/00/18/66/573001866.db2.gz CXKFKOMNGHFSLP-UHFFFAOYSA-N 0 0 191.230 1.562 10 0 ADAERN CCCC[C@H]1CO[C@@H](O)C1 238244743 573001880 /nfs/dbraw/zinc/00/18/80/573001880.db2.gz XFUYDYNEIQQNNE-HTQZYQBOSA-N 0 0 144.214 1.532 10 0 ADAERN COCCc1ccc(CCON)cc1 258211911 573001886 /nfs/dbraw/zinc/00/18/86/573001886.db2.gz ZMFUBPYYEBWCFC-UHFFFAOYSA-N 0 0 195.262 1.308 10 0 ADAERN COc1cccc(O)c1CC1(O)CC1 258211869 573001893 /nfs/dbraw/zinc/00/18/93/573001893.db2.gz ZLBRONXEOBKCNR-UHFFFAOYSA-N 0 0 194.230 1.468 10 0 ADAERN CCC[C@@H](C)C(=O)C1OCCO1 238244740 573001901 /nfs/dbraw/zinc/00/19/01/573001901.db2.gz UQBJSLFDCWLUCT-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN CCCc1nc(NCC)c(C)c(=O)[nH]1 87918248 573001918 /nfs/dbraw/zinc/00/19/18/573001918.db2.gz GZIIEIZOKLJLHF-UHFFFAOYSA-N 0 0 195.266 1.463 10 0 ADAERN Nc1ccc(-c2c[nH]cc2N)cc1 258212562 573001940 /nfs/dbraw/zinc/00/19/40/573001940.db2.gz WNPYNOOYHDPBQH-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN COc1nncc(CC(C)(C)C)c1N 257919228 573001954 /nfs/dbraw/zinc/00/19/54/573001954.db2.gz JQROQEONSDAOGM-UHFFFAOYSA-N 0 0 195.266 1.656 10 0 ADAERN Cc1ccc2c(c1)CO[C@@H](CO)OC2 258210877 573001978 /nfs/dbraw/zinc/00/19/78/573001978.db2.gz OAYBQDWAZXHQBE-NSHDSACASA-N 0 0 194.230 1.360 10 0 ADAERN COc1cc(CNO)c(C)c(OC)c1 258209636 573001986 /nfs/dbraw/zinc/00/19/86/573001986.db2.gz ZDJJAIFFMLNKLQ-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN NNc1ccccc1-c1cc[nH]n1 104534516 573002014 /nfs/dbraw/zinc/00/20/14/573002014.db2.gz SSGWDIAZPRGDIY-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CCCC(=O)[C@H]1C[C@@H]1OC 238243989 573002696 /nfs/dbraw/zinc/00/26/96/573002696.db2.gz LEKKZBWDTJMXQC-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN Nc1cnn(-c2cccc(F)c2)c1F 258210561 573002033 /nfs/dbraw/zinc/00/20/33/573002033.db2.gz XQEXEADWESHQMO-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN CC(C)n1cc(N)nc1N(C)C 257918045 573002061 /nfs/dbraw/zinc/00/20/61/573002061.db2.gz QTBSVELGANMGGE-UHFFFAOYSA-N 0 0 168.244 1.112 10 0 ADAERN CC(=O)CCC(=O)c1cn(C)nc1C 128363172 573002084 /nfs/dbraw/zinc/00/20/84/573002084.db2.gz WYNXHMFHNWVLCS-UHFFFAOYSA-N 0 0 194.234 1.280 10 0 ADAERN OCc1ccc2c(c1F)CCC2 257917718 573002091 /nfs/dbraw/zinc/00/20/91/573002091.db2.gz BUALKVLUMRSMJV-UHFFFAOYSA-N 0 0 166.195 1.807 10 0 ADAERN C[C@H]1Cc2c(CCO)cccc2N1 258210036 573002101 /nfs/dbraw/zinc/00/21/01/573002101.db2.gz VCXBYJFURKOKBH-QMMMGPOBSA-N 0 0 177.247 1.578 10 0 ADAERN Nc1cc(-c2cccc3c[nH]nc23)[nH]n1 258210764 573002118 /nfs/dbraw/zinc/00/21/18/573002118.db2.gz UBGTWRRWSUGLFU-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN COCCc1ccc([C@H](C)CO)cc1 258209693 573002125 /nfs/dbraw/zinc/00/21/25/573002125.db2.gz ZELCQZKBFIYQJO-SNVBAGLBSA-N 0 0 194.274 1.971 10 0 ADAERN C[C@@]1(c2cncc(F)c2)C[C@H]1CO 235433194 573002126 /nfs/dbraw/zinc/00/21/26/573002126.db2.gz MNIZWNMGHGTLTO-WPRPVWTQSA-N 0 0 181.210 1.491 10 0 ADAERN Cc1ccc2c(c1)CO[C@H](CO)OC2 258210875 573002134 /nfs/dbraw/zinc/00/21/34/573002134.db2.gz OAYBQDWAZXHQBE-LLVKDONJSA-N 0 0 194.230 1.360 10 0 ADAERN NNc1n[nH]c(=S)c2ccccc12 104534537 573002137 /nfs/dbraw/zinc/00/21/37/573002137.db2.gz UAQSFNDBBVDHFG-UHFFFAOYSA-N 0 0 192.247 1.578 10 0 ADAERN CC[C@@H](C)OC(=O)[C@H]1CCC(=O)O1 308232090 573002138 /nfs/dbraw/zinc/00/21/38/573002138.db2.gz PFZLMVHAFUPFMJ-RNFRBKRXSA-N 0 0 186.207 1.034 10 0 ADAERN CO[C@H]1CCNc2c(O)cccc21 257918231 573002149 /nfs/dbraw/zinc/00/21/49/573002149.db2.gz RBJXXRJVVMYGIU-VIFPVBQESA-N 0 0 179.219 1.895 10 0 ADAERN CCOCc1ccc(N)cc1O 258209791 573002171 /nfs/dbraw/zinc/00/21/71/573002171.db2.gz WEJZERMYDQFWAB-UHFFFAOYSA-N 0 0 167.208 1.511 10 0 ADAERN CCCC(=O)[C@H]1COC(C)(C)O1 238243960 573002177 /nfs/dbraw/zinc/00/21/77/573002177.db2.gz CRVHKUDNYSEITC-MRVPVSSYSA-N 0 0 172.224 1.507 10 0 ADAERN COc1cccc(NN)c1Cl 104538515 573002179 /nfs/dbraw/zinc/00/21/79/573002179.db2.gz FZWVHWYJQDUUKE-UHFFFAOYSA-N 0 0 172.615 1.634 10 0 ADAERN CCCc1nc2n(n1)CCC[C@@H]2CO 258209931 573002185 /nfs/dbraw/zinc/00/21/85/573002185.db2.gz GDVLKCYRQBADNK-MRVPVSSYSA-N 0 0 195.266 1.100 10 0 ADAERN COC(=O)[C@@H]1C[C@H](C2CCCC2)N1 257923637 573002188 /nfs/dbraw/zinc/00/21/88/573002188.db2.gz RUGBCGZBICMVTN-BDAKNGLRSA-N 0 0 183.251 1.080 10 0 ADAERN CCC(CC)CN1CCN[C@H](C)C1=O 128370676 573002195 /nfs/dbraw/zinc/00/21/95/573002195.db2.gz ALMJPUZPJUTMER-SECBINFHSA-N 0 0 198.310 1.243 10 0 ADAERN CCCc1nc2n(n1)CCC[C@H]2CO 258209932 573002197 /nfs/dbraw/zinc/00/21/97/573002197.db2.gz GDVLKCYRQBADNK-QMMMGPOBSA-N 0 0 195.266 1.100 10 0 ADAERN Cc1ccc2c(c1)CC[C@@]2(O)CO 257918378 573002203 /nfs/dbraw/zinc/00/22/03/573002203.db2.gz RDPBLOWHOSBXDQ-LLVKDONJSA-N 0 0 178.231 1.121 10 0 ADAERN CCCC(=O)[C@H]1O[C@H]1CC 238244222 573002214 /nfs/dbraw/zinc/00/22/14/573002214.db2.gz UMSDKJBYNLFUSG-JGVFFNPUSA-N 0 0 142.198 1.533 10 0 ADAERN CCC(CC)CN1CCN[C@@H](C)C1=O 128370936 573002221 /nfs/dbraw/zinc/00/22/21/573002221.db2.gz ALMJPUZPJUTMER-VIFPVBQESA-N 0 0 198.310 1.243 10 0 ADAERN C[C@H]1Cc2cccc(C=O)c2N1C 258212236 573002226 /nfs/dbraw/zinc/00/22/26/573002226.db2.gz VIPXMTSJOGVJDQ-QMMMGPOBSA-N 0 0 175.231 1.880 10 0 ADAERN COCCC[C@H](O)c1c(C)cnn1C 308476579 573002235 /nfs/dbraw/zinc/00/22/35/573002235.db2.gz LHBRCKLWFYTTPI-VIFPVBQESA-N 0 0 198.266 1.189 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H]2C(=O)[O-])C1 87920360 573002248 /nfs/dbraw/zinc/00/22/48/573002248.db2.gz QXGBSQPBKBEUAH-HRDYMLBCSA-N 0 0 183.251 1.191 10 0 ADAERN CCCC(=O)[C@]1(C)CO1 238244516 573002287 /nfs/dbraw/zinc/00/22/87/573002287.db2.gz PZVLLHMPNISYER-ZETCQYMHSA-N 0 0 128.171 1.145 10 0 ADAERN CCCC[C@H](C)NN 104534341 573002728 /nfs/dbraw/zinc/00/27/28/573002728.db2.gz BDXOEYFLOUUQEJ-LURJTMIESA-N 0 0 116.208 1.028 10 0 ADAERN CCCCSC(=N)NC#N 238245125 573002298 /nfs/dbraw/zinc/00/22/98/573002298.db2.gz HRSBXDGCEOJMEA-UHFFFAOYSA-N 0 0 157.242 1.525 10 0 ADAERN Cc1cc(F)c(C[C@H](C)O)cc1O 258209831 573002324 /nfs/dbraw/zinc/00/23/24/573002324.db2.gz ZHRAPFRTCAJVDR-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN CCC[C@](O)(c1ncn(C)n1)C1CC1 714780446 573002336 /nfs/dbraw/zinc/00/23/36/573002336.db2.gz FVFGNBLFKHGEOW-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN O=C1Nc2ccccc2OC12CC2 259307276 573002356 /nfs/dbraw/zinc/00/23/56/573002356.db2.gz RBYODBANTNPYTA-UHFFFAOYSA-N 0 0 175.187 1.550 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/nfs/dbraw/zinc/00/47/71/573004771.db2.gz KXMCTGJZMVLKSN-SFYZADRCSA-N 0 0 190.214 1.314 10 0 ADAERN CCC[C@@H](C(C)=O)[C@]1(C)CO1 238243863 573004830 /nfs/dbraw/zinc/00/48/30/573004830.db2.gz VKCZAXZWVMKARJ-IUCAKERBSA-N 0 0 156.225 1.781 10 0 ADAERN CCCOC(=O)c1cc(C)nn1CC 82368001 573004841 /nfs/dbraw/zinc/00/48/41/573004841.db2.gz XWCCEVYGLWYEEZ-UHFFFAOYSA-N 0 0 196.250 1.778 10 0 ADAERN CC1(C)NC(c2ccccc2N)=NO1 238250520 573005052 /nfs/dbraw/zinc/00/50/52/573005052.db2.gz CRRFNOQPKASKEA-UHFFFAOYSA-N 0 0 191.234 1.286 10 0 ADAERN CC1(C)C[C@@]12CCC[C@@H]2O 238245025 573004872 /nfs/dbraw/zinc/00/48/72/573004872.db2.gz DCTNYUGUEWSJDO-IONNQARKSA-N 0 0 140.226 1.948 10 0 ADAERN NOCc1ccc2c(c1)SCO2 258214275 573004875 /nfs/dbraw/zinc/00/48/75/573004875.db2.gz ZRUBUPSYLXIAIR-UHFFFAOYSA-N 0 0 183.232 1.519 10 0 ADAERN CCC1CC(=O)C(C)C(=O)C1 238244087 573004880 /nfs/dbraw/zinc/00/48/80/573004880.db2.gz IPAWVAVWXIAWRK-UHFFFAOYSA-N 0 0 154.209 1.581 10 0 ADAERN C[NH2+]Cc1ccc(C(=O)[O-])c(C)c1 258214985 573004881 /nfs/dbraw/zinc/00/48/81/573004881.db2.gz WYGQBAUHOILDHG-UHFFFAOYSA-N 0 0 179.219 1.413 10 0 ADAERN OCc1conc1-c1ccc(F)cn1 113484081 573004884 /nfs/dbraw/zinc/00/48/84/573004884.db2.gz RZEVGCARSULVEW-UHFFFAOYSA-N 0 0 194.165 1.368 10 0 ADAERN CC[C@@H](C)/C=C/C(N)=O 104556591 573004901 /nfs/dbraw/zinc/00/49/01/573004901.db2.gz YGXPYUPSKSQXSO-BMMSZFGTSA-N 0 0 127.187 1.074 10 0 ADAERN CC(C)c1cnc(NCCO)nc1 259306784 573004902 /nfs/dbraw/zinc/00/49/02/573004902.db2.gz OUFZVGYMEUQGOE-UHFFFAOYSA-N 0 0 181.239 1.004 10 0 ADAERN CC/C=C(\CCC)C(=O)NCCO 308219871 573005053 /nfs/dbraw/zinc/00/50/53/573005053.db2.gz KTVADUYVWYRHED-WEVVVXLNSA-N 0 0 185.267 1.231 10 0 ADAERN CCCNc1ncnc2cc[nH]c12 238250481 573004921 /nfs/dbraw/zinc/00/49/21/573004921.db2.gz RIBYGOGBHNVRQP-UHFFFAOYSA-N 0 0 176.223 1.780 10 0 ADAERN Cc1cccc(Cl)c1NC(N)N=N 104552898 573004932 /nfs/dbraw/zinc/00/49/32/573004932.db2.gz XWUYXDMCNRINIP-UHFFFAOYSA-N 0 0 198.657 1.458 10 0 ADAERN Oc1ccc2nnccc2c1 113462596 573004971 /nfs/dbraw/zinc/00/49/71/573004971.db2.gz VITWLPFZOYHMOK-UHFFFAOYSA-N 0 0 146.149 1.335 10 0 ADAERN CCCC[C@]1(C)NC(=O)CN1CC 308213524 573005000 /nfs/dbraw/zinc/00/50/00/573005000.db2.gz HTRBCHLUVLNQHA-SNVBAGLBSA-N 0 0 184.283 1.345 10 0 ADAERN CC1(C)C[C@@]12C[C@H]2CO 238245112 573005022 /nfs/dbraw/zinc/00/50/22/573005022.db2.gz PQLLYMLRFIKRJC-POYBYMJQSA-N 0 0 126.199 1.415 10 0 ADAERN O=c1ccc2cc[nH+][n-]c-2c1 113463728 573005040 /nfs/dbraw/zinc/00/50/40/573005040.db2.gz TVQZTIHYLLXSFD-UHFFFAOYSA-N 0 0 146.149 1.335 10 0 ADAERN CC1CC[NH+]([C@H]2CC[C@@H]2C(=O)[O-])CC1 87920151 573005046 /nfs/dbraw/zinc/00/50/46/573005046.db2.gz UTHYSOMBTMQNSC-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN O=S(=O)(C(F)F)N1CCCCC1 82367339 573005061 /nfs/dbraw/zinc/00/50/61/573005061.db2.gz PXIRRSGBENTSMM-UHFFFAOYSA-N 0 0 199.222 1.025 10 0 ADAERN CCCC(=O)[C@H]1OC(=O)C[C@@H]1C 238244125 573005066 /nfs/dbraw/zinc/00/50/66/573005066.db2.gz WXWSEQJQWIDRBN-RCOVLWMOSA-N 0 0 170.208 1.307 10 0 ADAERN NNc1nnc(Cl)c2occc12 104550047 573005071 /nfs/dbraw/zinc/00/50/71/573005071.db2.gz CUAPJWKMAUIYQV-UHFFFAOYSA-N 0 0 184.586 1.162 10 0 ADAERN Cc1ccc(-c2c[nH]nc2N)cc1N 259307308 573005078 /nfs/dbraw/zinc/00/50/78/573005078.db2.gz FBZGLEIEZKPRBM-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN CC(C)[C@H](O)C[C@@H](C)C(C)(C)O 224330385 573005085 /nfs/dbraw/zinc/00/50/85/573005085.db2.gz PIQNBADIIFWOGN-RKDXNWHRSA-N 0 0 174.284 1.800 10 0 ADAERN NOCc1ccc([C@H]2COCO2)cc1 258214320 573005094 /nfs/dbraw/zinc/00/50/94/573005094.db2.gz ZTCHTVXDYSOFSM-SNVBAGLBSA-N 0 0 195.218 1.122 10 0 ADAERN CCOC(=O)[C@]12Cc3[nH]cnc3[C@H]1C2 104549017 573005136 /nfs/dbraw/zinc/00/51/36/573005136.db2.gz GDGBPLSYTWRCHL-LHLIQPBNSA-N 0 0 192.218 1.003 10 0 ADAERN NNc1cccc(-c2c[nH]cn2)c1 104557574 573005168 /nfs/dbraw/zinc/00/51/68/573005168.db2.gz ZJBRHCXTLBIYJH-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CCCC(=O)[C@H]1OC(=O)C[C@H]1C 238244137 573005170 /nfs/dbraw/zinc/00/51/70/573005170.db2.gz WXWSEQJQWIDRBN-MUWHJKNJSA-N 0 0 170.208 1.307 10 0 ADAERN CCCc1ncc(C)nc1NN 104546894 573005668 /nfs/dbraw/zinc/00/56/68/573005668.db2.gz VZJSJFUSNSHNAB-UHFFFAOYSA-N 0 0 166.228 1.023 10 0 ADAERN CCCCOC(=O)[C@@]1(C)CCOC1 308213512 573005240 /nfs/dbraw/zinc/00/52/40/573005240.db2.gz HTJNVEWSNMTJHL-JTQLQIEISA-N 0 0 186.251 1.756 10 0 ADAERN CCCC[C@H]1CN(C)CCC1=O 238244318 573005670 /nfs/dbraw/zinc/00/56/70/573005670.db2.gz QVNGJDOMLSOWCM-VIFPVBQESA-N 0 0 169.268 1.697 10 0 ADAERN CC/C=C\C(=O)N[C@H]1CSC1(C)C 308219762 573005269 /nfs/dbraw/zinc/00/52/69/573005269.db2.gz KQSJNVDENWSBKK-SLGIHZDVSA-N 0 0 199.319 1.963 10 0 ADAERN CC[C@H](CO)[C@@H]1CC[C@H](C)[C@@H]1CO 308220084 573005275 /nfs/dbraw/zinc/00/52/75/573005275.db2.gz NWEJVSJSVYMDON-VLEAKVRGSA-N 0 0 186.295 1.660 10 0 ADAERN Cc1onc(N2CCCC2)c1CO 113483074 573005294 /nfs/dbraw/zinc/00/52/94/573005294.db2.gz WPDZPWOPSHPFQS-UHFFFAOYSA-N 0 0 182.223 1.076 10 0 ADAERN CC1(C)[C@H]2CC[C@]1(C)NC(=O)NC2=O 238245183 573005308 /nfs/dbraw/zinc/00/53/08/573005308.db2.gz ZZQFAWHHSUOIDY-WKEGUHRASA-N 0 0 196.250 1.021 10 0 ADAERN CCCc1nc(C)c(C)nc1NN 104548318 573005312 /nfs/dbraw/zinc/00/53/12/573005312.db2.gz OTRKBBKGATWFNO-UHFFFAOYSA-N 0 0 180.255 1.332 10 0 ADAERN CC/C=C/C(=O)N[C@@H](C)C(C)(C)O 308220311 573005321 /nfs/dbraw/zinc/00/53/21/573005321.db2.gz KXKZFQHOVGRSQI-CZEYKFRCSA-N 0 0 185.267 1.228 10 0 ADAERN COCc1cc(OC)cc([C@H](C)O)c1 258214173 573005346 /nfs/dbraw/zinc/00/53/46/573005346.db2.gz ZPQFIDXXGXVVFY-QMMMGPOBSA-N 0 0 196.246 1.895 10 0 ADAERN CCc1cnc([C@H]2CSCCN2)o1 257922438 573005358 /nfs/dbraw/zinc/00/53/58/573005358.db2.gz YLDUMFLAWGSCSZ-MRVPVSSYSA-N 0 0 198.291 1.615 10 0 ADAERN CC(C)(C)C(NN)C(C)(C)C 104557482 573005367 /nfs/dbraw/zinc/00/53/67/573005367.db2.gz LWIHENSZGICVII-UHFFFAOYSA-N 0 0 158.289 1.911 10 0 ADAERN CCC[C@@H](C(C)=O)[C@@]1(C)CO1 238243840 573005377 /nfs/dbraw/zinc/00/53/77/573005377.db2.gz VKCZAXZWVMKARJ-DTWKUNHWSA-N 0 0 156.225 1.781 10 0 ADAERN CCc1cnc([C@@H]2CSCCN2)o1 257922440 573005378 /nfs/dbraw/zinc/00/53/78/573005378.db2.gz YLDUMFLAWGSCSZ-QMMMGPOBSA-N 0 0 198.291 1.615 10 0 ADAERN Cc1ccccc1-c1nc(NN)n[nH]1 104553309 573005389 /nfs/dbraw/zinc/00/53/89/573005389.db2.gz BDVDNDKWHXZFDJ-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN CN(C)c1cc(F)ccc1C1(O)CC1 259306906 573005420 /nfs/dbraw/zinc/00/54/20/573005420.db2.gz CVXDDVKMTJOQPU-UHFFFAOYSA-N 0 0 195.237 1.873 10 0 ADAERN COc1cc(C)cc(CON)c1OC 258214387 573005425 /nfs/dbraw/zinc/00/54/25/573005425.db2.gz ZVLYHQUCIYEEGM-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN COC1CN(C(=O)/C=C/C(C)C)C1 308472743 573005438 /nfs/dbraw/zinc/00/54/38/573005438.db2.gz LAEQBTBBLNORDR-SNAWJCMRSA-N 0 0 183.251 1.056 10 0 ADAERN COC[C@@H]1Cc2cccc(O)c2C1 257922349 573005445 /nfs/dbraw/zinc/00/54/45/573005445.db2.gz RRACEGLOGUSDOJ-MRVPVSSYSA-N 0 0 178.231 1.753 10 0 ADAERN CCCO[C@H](C)[C@@](C)(O)C(C)=O 238250508 573005459 /nfs/dbraw/zinc/00/54/59/573005459.db2.gz YRJXVJLQARCBES-BDAKNGLRSA-N 0 0 174.240 1.142 10 0 ADAERN COc1ccc(C)c(CCON)c1O 258215991 573005462 /nfs/dbraw/zinc/00/54/62/573005462.db2.gz ZXXBRIHJDZIGSS-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN CCC[C@H](C(C)=O)[C@@]1(C)CO1 238244687 573005466 /nfs/dbraw/zinc/00/54/66/573005466.db2.gz VKCZAXZWVMKARJ-RKDXNWHRSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@H](O)[C@H]1Cc2cc(O)ccc2N1C 258216240 573005469 /nfs/dbraw/zinc/00/54/69/573005469.db2.gz VNQXBRPOJOROHF-WRWORJQWSA-N 0 0 193.246 1.134 10 0 ADAERN CCC[C@H](C(C)=O)[C@]1(C)CO1 238244706 573005473 /nfs/dbraw/zinc/00/54/73/573005473.db2.gz VKCZAXZWVMKARJ-BDAKNGLRSA-N 0 0 156.225 1.781 10 0 ADAERN NCC(=O)c1cc(F)cc2ccoc12 258214331 573005504 /nfs/dbraw/zinc/00/55/04/573005504.db2.gz ZTISJLCZIDZPEW-UHFFFAOYSA-N 0 0 193.177 1.713 10 0 ADAERN CC[C@H](CO)[C@@H]1CC[C@@H](C)[C@H]1CO 308220082 573005506 /nfs/dbraw/zinc/00/55/06/573005506.db2.gz NWEJVSJSVYMDON-CHWFTXMASA-N 0 0 186.295 1.660 10 0 ADAERN NNC(=S)c1cccc(Cl)c1 104551213 573005510 /nfs/dbraw/zinc/00/55/10/573005510.db2.gz IMRUTOJGOHTTSV-UHFFFAOYSA-N 0 0 186.667 1.479 10 0 ADAERN CCOC(=O)[C@H](NC)C1(CC)CCC1 686133849 573005954 /nfs/dbraw/zinc/00/59/54/573005954.db2.gz XRRVBGHIPWWJGT-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H](C)[N@@H+]1CC[C@](C)(CC(=O)[O-])C1 259306137 573005529 /nfs/dbraw/zinc/00/55/29/573005529.db2.gz HTCQMEQQFYKVNK-GXSJLCMTSA-N 0 0 199.294 1.972 10 0 ADAERN O=C1NCC[C@]12CCc1ccccc12 257922345 573005542 /nfs/dbraw/zinc/00/55/42/573005542.db2.gz RQYPVBAECSQSBD-LBPRGKRZSA-N 0 0 187.242 1.391 10 0 ADAERN Cc1oc(N)nc1[C@@H]1CCCCO1 259598210 573005557 /nfs/dbraw/zinc/00/55/57/573005557.db2.gz CXFPQPHKJSMWIV-ZETCQYMHSA-N 0 0 182.223 1.807 10 0 ADAERN CC[C@H](OC)C(=O)OC1CC(C)C1 308472815 573005575 /nfs/dbraw/zinc/00/55/75/573005575.db2.gz LBIIJCWDMDRXGB-HACHORDNSA-N 0 0 186.251 1.753 10 0 ADAERN CC/C=C\C(=O)NC1(COC)CC1 308232096 573005579 /nfs/dbraw/zinc/00/55/79/573005579.db2.gz PGEYFUJYNKLKFQ-PLNGDYQASA-N 0 0 183.251 1.248 10 0 ADAERN CN(C)c1ccccc1NN 104556116 573005581 /nfs/dbraw/zinc/00/55/81/573005581.db2.gz UFOIZPRVCWJMCQ-UHFFFAOYSA-N 0 0 151.213 1.038 10 0 ADAERN Cc1cc(F)c(F)cc1NN 104556266 573005591 /nfs/dbraw/zinc/00/55/91/573005591.db2.gz RVPRAVWEOJTLCX-UHFFFAOYSA-N 0 0 158.151 1.559 10 0 ADAERN OC1(Cc2cccc3oncc23)CC1 258214348 573005612 /nfs/dbraw/zinc/00/56/12/573005612.db2.gz ZUDXZWKSXHFLRG-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN Cc1cccc(Cl)c1NCC(N)=O 85388411 573005633 /nfs/dbraw/zinc/00/56/33/573005633.db2.gz PSQLXHCWQRCUDZ-UHFFFAOYSA-N 0 0 198.653 1.546 10 0 ADAERN C[C@@H](O)c1coc(-c2cccnc2)n1 258213845 573005635 /nfs/dbraw/zinc/00/56/35/573005635.db2.gz UOCTYZOXYOOQJF-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN Cc1ccc(-c2nnc(CO)[nH]2)cc1 85383943 573005687 /nfs/dbraw/zinc/00/56/87/573005687.db2.gz LWFHKBPSLPWSSU-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN CC/C=C\C(=O)N[C@@H](C)CCCO 308219772 573005697 /nfs/dbraw/zinc/00/56/97/573005697.db2.gz KQUNXAUXEVSYBA-WYDVEAGSSA-N 0 0 185.267 1.230 10 0 ADAERN Cc1onc(-c2ccccn2)c1C=O 113483697 573005699 /nfs/dbraw/zinc/00/56/99/573005699.db2.gz IDSUYDZTRAPAEZ-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CC12C(=O)C3C[C@H]1[C@H]2C3 238244281 573005728 /nfs/dbraw/zinc/00/57/28/573005728.db2.gz ITUFCZVDVNRCNE-UHIJFOHLSA-N 0 0 122.167 1.231 10 0 ADAERN COC1CN(C(=O)/C=C\C(C)C)C1 308472739 573005739 /nfs/dbraw/zinc/00/57/39/573005739.db2.gz LAEQBTBBLNORDR-PLNGDYQASA-N 0 0 183.251 1.056 10 0 ADAERN CC/C=C\C(=O)N[C@H](C)CCCO 308219769 573005741 /nfs/dbraw/zinc/00/57/41/573005741.db2.gz KQUNXAUXEVSYBA-WQAKUFEDSA-N 0 0 185.267 1.230 10 0 ADAERN COCc1ccc(C[C@@H](C)O)c(F)c1 258215901 573005751 /nfs/dbraw/zinc/00/57/51/573005751.db2.gz ZWMMKEFDPKDROR-MRVPVSSYSA-N 0 0 198.237 1.895 10 0 ADAERN C[C@H]1CC[C@@H](CO)S1 113433963 573005818 /nfs/dbraw/zinc/00/58/18/573005818.db2.gz AOOQTVGJBDRQBU-WDSKDSINSA-N 0 0 132.228 1.263 10 0 ADAERN CC(C)(C)[C@H](C[NH2+]C1CC1)C(=O)[O-] 258213791 573005822 /nfs/dbraw/zinc/00/58/22/573005822.db2.gz QHXTWGBLEAMZOK-MRVPVSSYSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)c1ccc(F)c2c1OCO2 258214180 573005961 /nfs/dbraw/zinc/00/59/61/573005961.db2.gz ZPRNYGZUSOAVIU-UHFFFAOYSA-N 0 0 182.150 1.757 10 0 ADAERN CCC(C)(C)CNCc1ncn(C)n1 308472417 573005845 /nfs/dbraw/zinc/00/58/45/573005845.db2.gz ABKQQPOUEUYVEH-UHFFFAOYSA-N 0 0 196.298 1.341 10 0 ADAERN COCCc1sc(C=O)nc1C 224330652 573005848 /nfs/dbraw/zinc/00/58/48/573005848.db2.gz BLXYQPABZZJZEO-UHFFFAOYSA-N 0 0 185.248 1.453 10 0 ADAERN CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2NC=O 238244657 573005876 /nfs/dbraw/zinc/00/58/76/573005876.db2.gz XTWFQTMLJPSXLI-VAOFZXAKSA-N 0 0 195.262 1.126 10 0 ADAERN CCCC[C@H]1CNC(=O)CCC1=O 238244386 573005886 /nfs/dbraw/zinc/00/58/86/573005886.db2.gz XGLQHHSVEFGCBV-QMMMGPOBSA-N 0 0 183.251 1.272 10 0 ADAERN CCN1C[C@@H](C(C)=O)CC(C)=N1 238244938 573005897 /nfs/dbraw/zinc/00/58/97/573005897.db2.gz YLBVARDXZUEYBP-VIFPVBQESA-N 0 0 168.240 1.293 10 0 ADAERN Cc1ccccc1-n1ncc(N)c1F 259598356 573005905 /nfs/dbraw/zinc/00/59/05/573005905.db2.gz CXPJBKPRMWZLEB-UHFFFAOYSA-N 0 0 191.209 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Cc1ccc2c(NN)ccnc2n1 104548746 573007203 /nfs/dbraw/zinc/00/72/03/573007203.db2.gz GZVOIHIIIVAVSB-UHFFFAOYSA-N 0 0 174.207 1.224 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)c1c[nH+]ccc1N 87926049 573007237 /nfs/dbraw/zinc/00/72/37/573007237.db2.gz SQJDWVBQHNCHDW-BQBZGAKWSA-N 0 0 194.234 1.488 10 0 ADAERN O=S(=O)(NC1CCCC1)C(F)F 82367387 573007246 /nfs/dbraw/zinc/00/72/46/573007246.db2.gz AEXOZSLRGICKRE-UHFFFAOYSA-N 0 0 199.222 1.071 10 0 ADAERN COC(=O)OC[C@@H]1CCCC[C@@H]1O 308221612 573007262 /nfs/dbraw/zinc/00/72/62/573007262.db2.gz OMBFYUNBXPCSMS-YUMQZZPRSA-N 0 0 188.223 1.321 10 0 ADAERN Cc1csc(=S)n1CCO 196981842 573007296 /nfs/dbraw/zinc/00/72/96/573007296.db2.gz FKGGGAAMTRKYDR-UHFFFAOYSA-N 0 0 175.278 1.580 10 0 ADAERN Cc1cccc2nc(=NN)[nH]c-2c1 104547097 573007331 /nfs/dbraw/zinc/00/73/31/573007331.db2.gz LIDYUZDPDGUSMJ-UHFFFAOYSA-N 0 0 174.207 1.175 10 0 ADAERN CC[C@H](N[C@H]1CC[C@H]1C)C(=O)OC 308222000 573007363 /nfs/dbraw/zinc/00/73/63/573007363.db2.gz OPDSBGJAGAWCMD-VGMNWLOBSA-N 0 0 185.267 1.326 10 0 ADAERN O=Cc1coc(-c2ccccc2O)n1 258215955 573007374 /nfs/dbraw/zinc/00/73/74/573007374.db2.gz UQNPCERSAYOZFS-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CCCCCN(CCO)C(=O)OC 308221348 573007390 /nfs/dbraw/zinc/00/73/90/573007390.db2.gz LGLOKAMZNFPZBV-UHFFFAOYSA-N 0 0 189.255 1.237 10 0 ADAERN C/C=C/C=C\[C@H](O)CCC1OCCO1 308472421 573007406 /nfs/dbraw/zinc/00/74/06/573007406.db2.gz QKJNYXIYJXNEDG-WZKPRXTQSA-N 0 0 198.262 1.633 10 0 ADAERN CC[C@@H](C)Oc1cnccn1 196983224 573007429 /nfs/dbraw/zinc/00/74/29/573007429.db2.gz SHFGQYQIOORCCW-SSDOTTSWSA-N 0 0 152.197 1.654 10 0 ADAERN O=C([O-])C[N@H+](C1CC1)[C@@H]1CC[C@@H]2C[C@@H]21 308473199 573007516 /nfs/dbraw/zinc/00/75/16/573007516.db2.gz KBGAFKLFTZUCTJ-FKTZTGRPSA-N 0 0 195.262 1.334 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)c1c[nH+]ccc1N 87926048 573007532 /nfs/dbraw/zinc/00/75/32/573007532.db2.gz SQJDWVBQHNCHDW-RQJHMYQMSA-N 0 0 194.234 1.488 10 0 ADAERN CCC(=O)c1ccc2n[nH]nc2c1 113433894 573007548 /nfs/dbraw/zinc/00/75/48/573007548.db2.gz OEDRKTSGEDYBFE-UHFFFAOYSA-N 0 0 175.191 1.551 10 0 ADAERN NNc1nccn1-c1ccccc1 196986870 573007549 /nfs/dbraw/zinc/00/75/49/573007549.db2.gz PUOZLBUEXQIECH-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN COC(=O)OC[C@@H]1CCCC[C@H]1O 308221608 573007585 /nfs/dbraw/zinc/00/75/85/573007585.db2.gz OMBFYUNBXPCSMS-JGVFFNPUSA-N 0 0 188.223 1.321 10 0 ADAERN C[C@@H](CCOCc1ccccc1)NN 104548701 573007598 /nfs/dbraw/zinc/00/75/98/573007598.db2.gz ZDNJZJOTSWJRCJ-JTQLQIEISA-N 0 0 194.278 1.445 10 0 ADAERN C[C@H](CC(=O)[O-])c1c[nH+]ccc1N 87925315 573007603 /nfs/dbraw/zinc/00/76/03/573007603.db2.gz XRJSUUPPRURIRP-ZCFIWIBFSA-N 0 0 180.207 1.242 10 0 ADAERN COc1cc(N)cc2c1cnn2C 259307370 573007606 /nfs/dbraw/zinc/00/76/06/573007606.db2.gz FDMYVIGVLVTQOQ-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN C[C@H](O)COC(=O)/C=C/C(C)(C)C 308220882 573007607 /nfs/dbraw/zinc/00/76/07/573007607.db2.gz CDZRUFFKLYHKFK-GJIOHYHPSA-N 0 0 186.251 1.513 10 0 ADAERN CCn1cc(COC)nc1C 258213916 573007613 /nfs/dbraw/zinc/00/76/13/573007613.db2.gz OVYMVYPCQFSWAM-UHFFFAOYSA-N 0 0 154.213 1.358 10 0 ADAERN Clc1cnnc([C@H]2CCOC2)c1 259308119 573007625 /nfs/dbraw/zinc/00/76/25/573007625.db2.gz CAFQGSZWRVNIQK-LURJTMIESA-N 0 0 184.626 1.634 10 0 ADAERN CCNC(=O)[C@@H]1O[C@@H]1c1ccccc1 238251118 573007643 /nfs/dbraw/zinc/00/76/43/573007643.db2.gz SDYZGNJUVJXUAJ-NXEZZACHSA-N 0 0 191.230 1.263 10 0 ADAERN CCC[C@@H]1C[C@H]1NC(=O)[C@H](O)CC 308222254 573007667 /nfs/dbraw/zinc/00/76/67/573007667.db2.gz LRDPWCBETXTWFA-IWSPIJDZSA-N 0 0 185.267 1.062 10 0 ADAERN CCc1cc(F)c(OC)c(CON)c1 258217721 573008650 /nfs/dbraw/zinc/00/86/50/573008650.db2.gz USPKVFKGUQWAHS-UHFFFAOYSA-N 0 0 199.225 1.787 10 0 ADAERN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](O)CC 308222252 573007688 /nfs/dbraw/zinc/00/76/88/573007688.db2.gz LRDPWCBETXTWFA-HLTSFMKQSA-N 0 0 185.267 1.062 10 0 ADAERN O=Cc1ccc([O-])cc1[C@H]1CCC[NH2+]1 258215997 573007689 /nfs/dbraw/zinc/00/76/89/573007689.db2.gz ZXXFHFRBRAFUSJ-LLVKDONJSA-N 0 0 191.230 1.629 10 0 ADAERN COc1cccc(Cl)c1NN 104552978 573007712 /nfs/dbraw/zinc/00/77/12/573007712.db2.gz RSVDQCUIRCQSOZ-UHFFFAOYSA-N 0 0 172.615 1.634 10 0 ADAERN CCNC(=O)[C@@]1(Cl)CCC[C@H]1C 238251585 573007726 /nfs/dbraw/zinc/00/77/26/573007726.db2.gz NNJWLCAUJKQRLW-VXNVDRBHSA-N 0 0 189.686 1.920 10 0 ADAERN CC1(C)[C@H]2C[C@H](O)[C@@]13C[C@H]3C2 238251290 573007751 /nfs/dbraw/zinc/00/77/51/573007751.db2.gz FJYZALBFBURIIG-ODXREFDESA-N 0 0 152.237 1.803 10 0 ADAERN Cc1ccc(C(C)C)cc(NN)c1=O 104549860 573007767 /nfs/dbraw/zinc/00/77/67/573007767.db2.gz ZAYFZELMGPHJAS-UHFFFAOYSA-N 0 0 192.262 1.764 10 0 ADAERN CC(C)c1cccc(NN)c(=O)c1 104552811 573007778 /nfs/dbraw/zinc/00/77/78/573007778.db2.gz BWOZGEJMYRRDIP-UHFFFAOYSA-N 0 0 178.235 1.456 10 0 ADAERN COC(=O)Cc1cnsc1C1CC1 259598559 573007802 /nfs/dbraw/zinc/00/78/02/573007802.db2.gz GMCYHZZLIOHENE-UHFFFAOYSA-N 0 0 197.259 1.736 10 0 ADAERN Cc1cc(C2OCCO2)c(C)cc1N 113454050 573007804 /nfs/dbraw/zinc/00/78/04/573007804.db2.gz SROBACQKBAHXRQ-UHFFFAOYSA-N 0 0 193.246 1.931 10 0 ADAERN CC(C)c1ncn([C@H](C)C[C@H](C)O)n1 308473184 573007808 /nfs/dbraw/zinc/00/78/08/573007808.db2.gz JMWVNOFPSDCDQH-BDAKNGLRSA-N 0 0 197.282 1.733 10 0 ADAERN CN(CCC1CC1)c1cc(N)ns1 308221494 573007834 /nfs/dbraw/zinc/00/78/34/573007834.db2.gz LKDOGARSDFWXHQ-UHFFFAOYSA-N 0 0 197.307 1.962 10 0 ADAERN O=C1CC[C@H](C2CCSCC2)N1 257922364 573007841 /nfs/dbraw/zinc/00/78/41/573007841.db2.gz RRKKDTQMRHIAFV-MRVPVSSYSA-N 0 0 185.292 1.408 10 0 ADAERN COC(C)(C)[C@@H]1[C@H](CO)[C@H]1C(C)C 308221604 573007854 /nfs/dbraw/zinc/00/78/54/573007854.db2.gz OLWYJAJHWWKPER-OPRDCNLKSA-N 0 0 186.295 1.922 10 0 ADAERN OCC1(Sc2ccccc2)COC1 259305552 573007858 /nfs/dbraw/zinc/00/78/58/573007858.db2.gz URMVNXYTUBICDA-UHFFFAOYSA-N 0 0 196.271 1.540 10 0 ADAERN COCc1ccc(C2(O)CC2)c(F)c1 258214209 573007890 /nfs/dbraw/zinc/00/78/90/573007890.db2.gz ZQKWDZOMQKEYLX-UHFFFAOYSA-N 0 0 196.221 1.954 10 0 ADAERN Cc1cc(CON)cc(Cl)c1O 258214277 573007898 /nfs/dbraw/zinc/00/78/98/573007898.db2.gz ZRUJNQKEGYKZNY-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN NNc1cnnc2ccc(Cl)cc12 104550023 573007906 /nfs/dbraw/zinc/00/79/06/573007906.db2.gz AYMBDGASLYBGDH-UHFFFAOYSA-N 0 0 194.625 1.569 10 0 ADAERN CCCOCC(=O)c1c(C)cnn1C 308472605 573007918 /nfs/dbraw/zinc/00/79/18/573007918.db2.gz JYOSHBIZCUQEQX-UHFFFAOYSA-N 0 0 196.250 1.338 10 0 ADAERN COc1cc(C)c(C)c(CO)c1OC 258215895 573007926 /nfs/dbraw/zinc/00/79/26/573007926.db2.gz ZWCSQOGWZZMJJC-UHFFFAOYSA-N 0 0 196.246 1.813 10 0 ADAERN CCNC(=O)[C@@]1(Cl)CCC[C@@H]1C 238251570 573007930 /nfs/dbraw/zinc/00/79/30/573007930.db2.gz NNJWLCAUJKQRLW-IONNQARKSA-N 0 0 189.686 1.920 10 0 ADAERN C[C@@H](F)CCOC(=O)[C@@H]1CCCO1 308221354 573007936 /nfs/dbraw/zinc/00/79/36/573007936.db2.gz CFYZVEGSOOKBEU-SFYZADRCSA-N 0 0 190.214 1.457 10 0 ADAERN CONCc1c(C)cc(O)cc1OC 258214241 573007948 /nfs/dbraw/zinc/00/79/48/573007948.db2.gz ZRDXGMNXDZYFKY-UHFFFAOYSA-N 0 0 197.234 1.360 10 0 ADAERN CCN1C(=O)SC(C)(C)[C@H]1O 238252178 573007956 /nfs/dbraw/zinc/00/79/56/573007956.db2.gz FHAJZRSRENJIGN-RXMQYKEDSA-N 0 0 175.253 1.272 10 0 ADAERN CONCc1cc(F)c(C)c(OC)c1 258213414 573007975 /nfs/dbraw/zinc/00/79/75/573007975.db2.gz UHYKQKMEYDGMTG-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN CC(=O)[C@H]1Cc2cc(O)ccc2N1C 258216173 573008018 /nfs/dbraw/zinc/00/80/18/573008018.db2.gz VMFMOOOGLCFMSM-LLVKDONJSA-N 0 0 191.230 1.342 10 0 ADAERN CC(C)c1ccccc(NN)c1=O 104553032 573008044 /nfs/dbraw/zinc/00/80/44/573008044.db2.gz XLWPSLMFYHMBNU-UHFFFAOYSA-N 0 0 178.235 1.456 10 0 ADAERN COC(=O)C[C@H](O)[C@@H]1C[C@H]1C(C)C 308222089 573008072 /nfs/dbraw/zinc/00/80/72/573008072.db2.gz OTDWQELKMWVRAR-YIZRAAEISA-N 0 0 186.251 1.203 10 0 ADAERN CCNc1cc(Cl)nnc1OC 238251769 573008082 /nfs/dbraw/zinc/00/80/82/573008082.db2.gz UITOYUPVVLDUGS-UHFFFAOYSA-N 0 0 187.630 1.570 10 0 ADAERN CCNc1cc(Cl)cnc1C=O 238251700 573008134 /nfs/dbraw/zinc/00/81/34/573008134.db2.gz LBVUYNXVWDNNEG-UHFFFAOYSA-N 0 0 184.626 1.979 10 0 ADAERN Cc1oc(CN)nc1[C@H]1CCSC1 258215373 573008143 /nfs/dbraw/zinc/00/81/43/573008143.db2.gz YAHNPCWVYRIMIX-ZETCQYMHSA-N 0 0 198.291 1.662 10 0 ADAERN Nc1ccc(N=O)c(O)c1 104557209 573008149 /nfs/dbraw/zinc/00/81/49/573008149.db2.gz RAYQRDPSVGCFND-UHFFFAOYSA-N 0 0 138.126 1.372 10 0 ADAERN CC(C)(C)[C@@H](C[NH2+]C1CC1)C(=O)[O-] 258213793 573008170 /nfs/dbraw/zinc/00/81/70/573008170.db2.gz QHXTWGBLEAMZOK-QMMMGPOBSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)c1ncn([C@@H](C)C[C@H](C)O)n1 308473768 573008189 /nfs/dbraw/zinc/00/81/89/573008189.db2.gz JMWVNOFPSDCDQH-IUCAKERBSA-N 0 0 197.282 1.733 10 0 ADAERN Cc1cc[nH+]c(N)c1[C@@H](C)CC(=O)[O-] 87925392 573008210 /nfs/dbraw/zinc/00/82/10/573008210.db2.gz XFJNIHZEBGZPLJ-ZETCQYMHSA-N 0 0 194.234 1.550 10 0 ADAERN Cc1cc(NN)cc(Cl)c1O 104548597 573008227 /nfs/dbraw/zinc/00/82/27/573008227.db2.gz FVKYDALEZDKFHN-UHFFFAOYSA-N 0 0 172.615 1.640 10 0 ADAERN CCN1C(=O)SC(C)(C)[C@@H]1O 238251215 573008241 /nfs/dbraw/zinc/00/82/41/573008241.db2.gz FHAJZRSRENJIGN-YFKPBYRVSA-N 0 0 175.253 1.272 10 0 ADAERN CC1(C)CC[C@H]1[N@H+](CC(=O)[O-])C1CC1 308472429 573008258 /nfs/dbraw/zinc/00/82/58/573008258.db2.gz ABOXXTJUQFVBQJ-SECBINFHSA-N 0 0 197.278 1.724 10 0 ADAERN COCCC1(NC(N)=O)CCCC1 308221001 573008302 /nfs/dbraw/zinc/00/83/02/573008302.db2.gz CKRXJSGBCRYEKH-UHFFFAOYSA-N 0 0 186.255 1.004 10 0 ADAERN CCCCc1nocc1CO 113483078 573008364 /nfs/dbraw/zinc/00/83/64/573008364.db2.gz UNKDNGCIWCSFCH-UHFFFAOYSA-N 0 0 155.197 1.510 10 0 ADAERN NC(=O)[C@@H]1C=CCCCC1 104555826 573008408 /nfs/dbraw/zinc/00/84/08/573008408.db2.gz RWOQIXVRLJUUHP-SSDOTTSWSA-N 0 0 139.198 1.218 10 0 ADAERN CC(C)Cc1oncc1CO 259307316 573008436 /nfs/dbraw/zinc/00/84/36/573008436.db2.gz RCKYMAXFXGWFKX-UHFFFAOYSA-N 0 0 155.197 1.365 10 0 ADAERN COC(C)(C)[C@H]1[C@@H](C(C)C)[C@H]1CO 308221600 573008442 /nfs/dbraw/zinc/00/84/42/573008442.db2.gz OLWYJAJHWWKPER-KXUCPTDWSA-N 0 0 186.295 1.922 10 0 ADAERN Nc1ccc2c(c1)[C@H](O)CCO2 113435535 573008483 /nfs/dbraw/zinc/00/84/83/573008483.db2.gz NOCVKRDGLXZRKN-MRVPVSSYSA-N 0 0 165.192 1.085 10 0 ADAERN Oc1ccc2cnncc2c1 113462519 573008491 /nfs/dbraw/zinc/00/84/91/573008491.db2.gz LWCGXQKEMUSFSB-UHFFFAOYSA-N 0 0 146.149 1.335 10 0 ADAERN Cc1cn(C)c(=O)c2cccc(O)c12 259598813 573008526 /nfs/dbraw/zinc/00/85/26/573008526.db2.gz CZBUSLAXTKVJPW-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN CCOC(=O)[C@@]12Cc3[nH]cnc3[C@@H]1C2 104548999 573008538 /nfs/dbraw/zinc/00/85/38/573008538.db2.gz GDGBPLSYTWRCHL-WKEGUHRASA-N 0 0 192.218 1.003 10 0 ADAERN CN(C=O)CCC(C)(C)C 113446771 573008566 /nfs/dbraw/zinc/00/85/66/573008566.db2.gz AKNOMEYYJGIOJY-UHFFFAOYSA-N 0 0 143.230 1.511 10 0 ADAERN CCNc1cc(Cl)cnc1CO 238251720 573008569 /nfs/dbraw/zinc/00/85/69/573008569.db2.gz AVUBNDXPKLJMOY-UHFFFAOYSA-N 0 0 186.642 1.659 10 0 ADAERN CC1=C[C@H]2C(=O)CCC(=O)[C@@H]12 238251144 573008576 /nfs/dbraw/zinc/00/85/76/573008576.db2.gz AOOCCUGOZFXFJB-RCOVLWMOSA-N 0 0 150.177 1.111 10 0 ADAERN CCOC(=O)/C=C\[C@H](CC)[C@@H](C)O 308222056 573008609 /nfs/dbraw/zinc/00/86/09/573008609.db2.gz OSBUISRSUBZVMV-WVXMWNJGSA-N 0 0 186.251 1.513 10 0 ADAERN CC(C)(ON)[C@@H]1CCCSC1 259307972 573008665 /nfs/dbraw/zinc/00/86/65/573008665.db2.gz BXEBPINSVRIESV-SSDOTTSWSA-N 0 0 175.297 1.799 10 0 ADAERN C[C@H]1CN(C)c2c(O)cccc2N1 259307452 573008696 /nfs/dbraw/zinc/00/86/96/573008696.db2.gz REHZCPPITMGANY-ZETCQYMHSA-N 0 0 178.235 1.642 10 0 ADAERN C[C@](O)(CCO)C1=CCCCC1 196984434 573008736 /nfs/dbraw/zinc/00/87/36/573008736.db2.gz RCWMZNBXMJDPOY-JTQLQIEISA-N 0 0 170.252 1.620 10 0 ADAERN CC(C)(O)Cc1ccc(CNO)cc1 259307075 573008740 /nfs/dbraw/zinc/00/87/40/573008740.db2.gz CZGRUPLANMLSGC-UHFFFAOYSA-N 0 0 195.262 1.479 10 0 ADAERN OCc1coc([C@@H]2CCCS2)n1 257923430 573008786 /nfs/dbraw/zinc/00/87/86/573008786.db2.gz DIPMOEATLNDVMJ-ZETCQYMHSA-N 0 0 185.248 1.735 10 0 ADAERN COC(=O)OC[C@H]1CCCC[C@H]1O 308221606 573008796 /nfs/dbraw/zinc/00/87/96/573008796.db2.gz OMBFYUNBXPCSMS-HTQZYQBOSA-N 0 0 188.223 1.321 10 0 ADAERN CCC(C)(C)C(C)(CO)CO 238251631 573008826 /nfs/dbraw/zinc/00/88/26/573008826.db2.gz XDWDIELFILQLML-UHFFFAOYSA-N 0 0 160.257 1.414 10 0 ADAERN CCn1c(C)cnc1OC(C)C 258220633 573008831 /nfs/dbraw/zinc/00/88/31/573008831.db2.gz PEESALLEFCIOQM-UHFFFAOYSA-N 0 0 168.240 1.999 10 0 ADAERN CC[C@H](C)Oc1cnccn1 196983233 573008839 /nfs/dbraw/zinc/00/88/39/573008839.db2.gz SHFGQYQIOORCCW-ZETCQYMHSA-N 0 0 152.197 1.654 10 0 ADAERN Cc1cc2c(NN)nnc(Cl)c2o1 104548800 573008852 /nfs/dbraw/zinc/00/88/52/573008852.db2.gz TUECQHVEDZIXFK-UHFFFAOYSA-N 0 0 198.613 1.470 10 0 ADAERN CC1(C)C[C@H]2[C@@H](C(=O)N1)C2(C)C 238251491 573008860 /nfs/dbraw/zinc/00/88/60/573008860.db2.gz GOXZRMQGBCDJJS-BQBZGAKWSA-N 0 0 167.252 1.557 10 0 ADAERN CO[C@H](C)c1ccccc1C(=O)CN 259306942 573008864 /nfs/dbraw/zinc/00/88/64/573008864.db2.gz CWNUIDZETGEHRH-MRVPVSSYSA-N 0 0 193.246 1.535 10 0 ADAERN Cc1cc[nH+]c(N)c1C[C@@H](C)C(=O)[O-] 87925645 573008865 /nfs/dbraw/zinc/00/88/65/573008865.db2.gz UDUMUFRGMQDHGZ-SSDOTTSWSA-N 0 0 194.234 1.235 10 0 ADAERN CCCc1cnc(NN)c(C)n1 104546902 573008871 /nfs/dbraw/zinc/00/88/71/573008871.db2.gz LCJGAAIZHUDTFI-UHFFFAOYSA-N 0 0 166.228 1.023 10 0 ADAERN C[C@H]1Cc2cccc(CON)c2N1 257922987 573008898 /nfs/dbraw/zinc/00/88/98/573008898.db2.gz CDENCCMLANXGMZ-ZETCQYMHSA-N 0 0 178.235 1.433 10 0 ADAERN CCn1c(=NN)[nH]c2cc(F)ccc21 258219045 573008928 /nfs/dbraw/zinc/00/89/28/573008928.db2.gz OOJUMZKXZVDXBW-UHFFFAOYSA-N 0 0 194.213 1.481 10 0 ADAERN C[C@H](CC1CCCC1)NN 104551226 573008935 /nfs/dbraw/zinc/00/89/35/573008935.db2.gz PHISLFMNFVZIRM-SSDOTTSWSA-N 0 0 142.246 1.419 10 0 ADAERN CC1(C)[C@H]2CO[C@H]3CC(=O)[C@@H]1[C@H]32 238250970 573008972 /nfs/dbraw/zinc/00/89/72/573008972.db2.gz JRFGEGBEHMNDJD-IZJRFANQSA-N 0 0 166.220 1.246 10 0 ADAERN CC(C)(CC1=CCC[NH2+]C1)C(=O)[O-] 258222052 573008974 /nfs/dbraw/zinc/00/89/74/573008974.db2.gz VXKQWCFSVQEUDV-UHFFFAOYSA-N 0 0 183.251 1.407 10 0 ADAERN Cc1cnn(C)c1CC[C@@H](O)C(C)C 308475445 573009039 /nfs/dbraw/zinc/00/90/39/573009039.db2.gz KVXBXNXLNYUDIH-LLVKDONJSA-N 0 0 196.294 1.678 10 0 ADAERN Cc1cc[nH+]c(N)c1C[C@H](C)C(=O)[O-] 87925646 573009062 /nfs/dbraw/zinc/00/90/62/573009062.db2.gz UDUMUFRGMQDHGZ-ZETCQYMHSA-N 0 0 194.234 1.235 10 0 ADAERN C[C@H](C1CC1)[C@@H](NN)c1cccnc1 128380135 573009065 /nfs/dbraw/zinc/00/90/65/573009065.db2.gz PCGQMGFHWXMPIJ-LDYMZIIASA-N 0 0 191.278 1.632 10 0 ADAERN Cc1onc(C2CCOCC2)c1CO 113483505 573009087 /nfs/dbraw/zinc/00/90/87/573009087.db2.gz VODXQEGHRVIYBZ-UHFFFAOYSA-N 0 0 197.234 1.369 10 0 ADAERN CCOc1ccc(N)c(=S)[nH]1 196992904 573009096 /nfs/dbraw/zinc/00/90/96/573009096.db2.gz LDBJXGQKHFJNPK-UHFFFAOYSA-N 0 0 170.237 1.725 10 0 ADAERN Cn1cc(N)nc1Oc1cccnc1 257922882 573009105 /nfs/dbraw/zinc/00/91/05/573009105.db2.gz RPHBVQUQDPDNKH-UHFFFAOYSA-N 0 0 190.206 1.190 10 0 ADAERN CCOC(=O)/C=C/[C@H](CC)[C@@H](C)O 308222054 573009106 /nfs/dbraw/zinc/00/91/06/573009106.db2.gz OSBUISRSUBZVMV-BXELRRQVSA-N 0 0 186.251 1.513 10 0 ADAERN CCOC(=O)C1=C2CCC[C@@H]2[C@@H](O)C1 238252274 573009112 /nfs/dbraw/zinc/00/91/12/573009112.db2.gz OKOCUUILPLMWRW-WPRPVWTQSA-N 0 0 196.246 1.411 10 0 ADAERN Cn1cc([C@@H](O)CCC(C)(C)C)nn1 308474239 573009114 /nfs/dbraw/zinc/00/91/14/573009114.db2.gz KJUXZCXLFFWDIE-VIFPVBQESA-N 0 0 197.282 1.675 10 0 ADAERN OCc1conc1-c1ccccn1 113482716 573009130 /nfs/dbraw/zinc/00/91/30/573009130.db2.gz HWDVKSWNHWJTCA-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN CCOC(=O)c1oncc1C(C)C 259307357 573009166 /nfs/dbraw/zinc/00/91/66/573009166.db2.gz CBNYEIMWIIXYGH-UHFFFAOYSA-N 0 0 183.207 1.975 10 0 ADAERN CO[C@H](C)CC(=O)N[C@H]1CC[C@H]1C 308222371 573009172 /nfs/dbraw/zinc/00/91/72/573009172.db2.gz DAKVTNNNXFNBSS-HLTSFMKQSA-N 0 0 185.267 1.326 10 0 ADAERN CCSc1nc(N)co1 257922957 573009196 /nfs/dbraw/zinc/00/91/96/573009196.db2.gz RQCWSKDJLUKPFR-UHFFFAOYSA-N 0 0 144.199 1.369 10 0 ADAERN Nc1cccc(NO)c1 104555808 573009197 /nfs/dbraw/zinc/00/91/97/573009197.db2.gz JVHBXOJOULTNAI-UHFFFAOYSA-N 0 0 124.143 1.070 10 0 ADAERN CCCCCSC(=S)NN 104549874 573009210 /nfs/dbraw/zinc/00/92/10/573009210.db2.gz GSNOFELWCRUDEC-UHFFFAOYSA-N 0 0 178.326 1.658 10 0 ADAERN CC1(C)CNc2c(CO)cccc2O1 259307435 573009257 /nfs/dbraw/zinc/00/92/57/573009257.db2.gz RDOKQOAMBYMKBA-UHFFFAOYSA-N 0 0 193.246 1.762 10 0 ADAERN Nc1cc[nH+]cc1[C@@H]1CC[C@@H]1C(=O)[O-] 87925096 573009280 /nfs/dbraw/zinc/00/92/80/573009280.db2.gz PZEZXKYERFQBAC-RQJHMYQMSA-N 0 0 192.218 1.242 10 0 ADAERN CCn1ncnc1[C@H](O)CC(C)C 308221581 573009302 /nfs/dbraw/zinc/00/93/02/573009302.db2.gz OLGVRXIHDIUTOM-MRVPVSSYSA-N 0 0 183.255 1.378 10 0 ADAERN CC(C)(ON)[C@H]1CCCSC1 259307976 573009303 /nfs/dbraw/zinc/00/93/03/573009303.db2.gz BXEBPINSVRIESV-ZETCQYMHSA-N 0 0 175.297 1.799 10 0 ADAERN C[C@@H](CO)c1coc([C@H]2CCOC2)n1 257923370 573009325 /nfs/dbraw/zinc/00/93/25/573009325.db2.gz DHWHASWQUXEKED-YUMQZZPRSA-N 0 0 197.234 1.274 10 0 ADAERN C=CC1=NC(=S)NC(C)(C)C1 238256969 573009340 /nfs/dbraw/zinc/00/93/40/573009340.db2.gz YFCJZBFIGOVQMT-UHFFFAOYSA-N 0 0 168.265 1.313 10 0 ADAERN CCOC(=O)[C@]12Cc3c[nH]nc3[C@H]1C2 104549042 573009346 /nfs/dbraw/zinc/00/93/46/573009346.db2.gz CEWOEBVEFKHLBF-XCBNKYQSSA-N 0 0 192.218 1.003 10 0 ADAERN CCc1cc(C(=O)OC)ccc1NN 104548629 573009363 /nfs/dbraw/zinc/00/93/63/573009363.db2.gz HUBYACVGQZWAGG-UHFFFAOYSA-N 0 0 194.234 1.321 10 0 ADAERN CC[C@H](N[C@@H]1CC[C@@H]1C)C(=O)OC 308222002 573009367 /nfs/dbraw/zinc/00/93/67/573009367.db2.gz OPDSBGJAGAWCMD-XHNCKOQMSA-N 0 0 185.267 1.326 10 0 ADAERN CCCCOC(=O)[C@@H](C)N1CCC1 308222260 573009394 /nfs/dbraw/zinc/00/93/94/573009394.db2.gz LRQYTCKXFNIQFQ-SECBINFHSA-N 0 0 185.267 1.424 10 0 ADAERN CC(C)C[C@@H](NN)C(C)C 104551161 573009395 /nfs/dbraw/zinc/00/93/95/573009395.db2.gz NNPKDVYIQNBSLJ-MRVPVSSYSA-N 0 0 144.262 1.520 10 0 ADAERN CC1=C[C@@](C)(O)C(=O)C1(C)C 238251957 573009418 /nfs/dbraw/zinc/00/94/18/573009418.db2.gz GBTFAILXVHICNL-SECBINFHSA-N 0 0 154.209 1.293 10 0 ADAERN O=C(Nc1cccnc1)n1ccnc1 82375537 573009420 /nfs/dbraw/zinc/00/94/20/573009420.db2.gz ZSOGGRHNMMXVBM-UHFFFAOYSA-N 0 0 188.190 1.358 10 0 ADAERN CCCCOC(=O)C1=CCOCC1 308221295 573009434 /nfs/dbraw/zinc/00/94/34/573009434.db2.gz LFCIFLUVXHDEMA-UHFFFAOYSA-N 0 0 184.235 1.676 10 0 ADAERN CC1(NN)CCCCC1 104551366 573009457 /nfs/dbraw/zinc/00/94/57/573009457.db2.gz CYYLACVORCMZLZ-UHFFFAOYSA-N 0 0 128.219 1.173 10 0 ADAERN C/C=C\CNc1cc(=O)[nH]cn1 395042978 573009464 /nfs/dbraw/zinc/00/94/64/573009464.db2.gz JZGNYNBGKFTKJM-IHWYPQMZSA-N 0 0 165.196 1.170 10 0 ADAERN OC[C@H]1CCn2cc(C3CC3)nc2C1 258217960 573009494 /nfs/dbraw/zinc/00/94/94/573009494.db2.gz GKHQYBBQBXJDPU-QMMMGPOBSA-N 0 0 192.262 1.315 10 0 ADAERN C[C@@H](CO)COC(=O)CC(C)(C)C 308222067 573009515 /nfs/dbraw/zinc/00/95/15/573009515.db2.gz COCVXEMVXNDIOQ-QMMMGPOBSA-N 0 0 188.267 1.594 10 0 ADAERN NC(=O)C[C@@H]1C=CCCC1 104558098 573009526 /nfs/dbraw/zinc/00/95/26/573009526.db2.gz CECWDFMXNZYJFK-SSDOTTSWSA-N 0 0 139.198 1.218 10 0 ADAERN CC1(C)O[C@H]2[C@H](CC2(C)C)C1=O 238251886 573009530 /nfs/dbraw/zinc/00/95/30/573009530.db2.gz MIAJRYCDJMBZCM-SVRRBLITSA-N 0 0 168.236 1.779 10 0 ADAERN Nc1cc[nH+]cc1[C@H]1CC[C@H]1C(=O)[O-] 87925099 573009544 /nfs/dbraw/zinc/00/95/44/573009544.db2.gz PZEZXKYERFQBAC-NKWVEPMBSA-N 0 0 192.218 1.242 10 0 ADAERN Cc1ccc2c(O)cc(=O)[nH]c2c1C 205844426 573009546 /nfs/dbraw/zinc/00/95/46/573009546.db2.gz AKZMSJKMCCBBOY-UHFFFAOYSA-N 0 0 189.214 1.828 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)O2)o1 258471466 573009581 /nfs/dbraw/zinc/00/95/81/573009581.db2.gz QGHIMJGAHURXTQ-SSDOTTSWSA-N 0 0 167.164 1.369 10 0 ADAERN Cc1ccccc(=O)c1C 141752110 573009598 /nfs/dbraw/zinc/00/95/98/573009598.db2.gz NIYPIHTXGIMBAT-UHFFFAOYSA-N 0 0 134.178 1.664 10 0 ADAERN C[C@@H](NN)C(C)(C)c1ccccc1 104552954 573009607 /nfs/dbraw/zinc/00/96/07/573009607.db2.gz UTHGFAYTPBRAGN-SECBINFHSA-N 0 0 178.279 1.816 10 0 ADAERN NNc1nc(Cl)nc(C2CCC2)n1 104556184 573009615 /nfs/dbraw/zinc/00/96/15/573009615.db2.gz HOSDAAHYLXANJF-UHFFFAOYSA-N 0 0 199.645 1.078 10 0 ADAERN N[C@@H](CC1CC1)C(=O)OCCC1CC1 308474431 573009635 /nfs/dbraw/zinc/00/96/35/573009635.db2.gz KOHUPQHYLCIQLG-JTQLQIEISA-N 0 0 197.278 1.457 10 0 ADAERN Cc1nc(COC(C)C)co1 258217510 573010156 /nfs/dbraw/zinc/01/01/56/573010156.db2.gz PAPUDBAGWWMCMM-UHFFFAOYSA-N 0 0 155.197 1.908 10 0 ADAERN C[C@H](CCOCc1ccccc1)NN 104548707 573009685 /nfs/dbraw/zinc/00/96/85/573009685.db2.gz ZDNJZJOTSWJRCJ-SNVBAGLBSA-N 0 0 194.278 1.445 10 0 ADAERN C/C=C\COn1nnc2ccccc21 308474062 573009844 /nfs/dbraw/zinc/00/98/44/573009844.db2.gz CXGBOMIUYDSRGE-IHWYPQMZSA-N 0 0 189.218 1.436 10 0 ADAERN CCNC(=O)[C@@H]1O[C@H]1c1ccccc1 238251154 573009856 /nfs/dbraw/zinc/00/98/56/573009856.db2.gz SDYZGNJUVJXUAJ-VHSXEESVSA-N 0 0 191.230 1.263 10 0 ADAERN CCn1ncnc1[C@@H](O)CC(C)C 308221583 573009857 /nfs/dbraw/zinc/00/98/57/573009857.db2.gz OLGVRXIHDIUTOM-QMMMGPOBSA-N 0 0 183.255 1.378 10 0 ADAERN CC(C)CSC(=S)NN 104549952 573009879 /nfs/dbraw/zinc/00/98/79/573009879.db2.gz QDJFYYIKSSKDCW-UHFFFAOYSA-N 0 0 164.299 1.124 10 0 ADAERN CCn1c(N)nc2c(F)cc(F)cc21 123427315 573009895 /nfs/dbraw/zinc/00/98/95/573009895.db2.gz QVVLDBBOWITIBF-UHFFFAOYSA-N 0 0 197.188 1.917 10 0 ADAERN CCOC(=O)[C@]1(NC(C)C)CC[C@@H]1C 308474645 573009921 /nfs/dbraw/zinc/00/99/21/573009921.db2.gz DAINBDSZIQHNJQ-ONGXEEELSA-N 0 0 199.294 1.716 10 0 ADAERN COC(C=C(C)C)OC 113510345 573009922 /nfs/dbraw/zinc/00/99/22/573009922.db2.gz XVOCYIHGQROGNT-UHFFFAOYSA-N 0 0 130.187 1.572 10 0 ADAERN CCOC(=O)C1=C2CCC[C@@H]2[C@H](O)C1 238252284 573009947 /nfs/dbraw/zinc/00/99/47/573009947.db2.gz OKOCUUILPLMWRW-WCBMZHEXSA-N 0 0 196.246 1.411 10 0 ADAERN CCCC/C=C/C(N)=O 104556605 573009952 /nfs/dbraw/zinc/00/99/52/573009952.db2.gz MUPFCCVZEUACLO-AATRIKPKSA-N 0 0 127.187 1.218 10 0 ADAERN NNc1ccc2c(c1)SCCN2 259308796 573009956 /nfs/dbraw/zinc/00/99/56/573009956.db2.gz VSSZTPGXWAPBHB-UHFFFAOYSA-N 0 0 181.264 1.490 10 0 ADAERN Cc1ccc2c(c1)[C@@H]([C@@H](C)O)CN2C 258218412 573009962 /nfs/dbraw/zinc/00/99/62/573009962.db2.gz VPZFDSLLXRCCBV-MWLCHTKSSA-N 0 0 191.274 1.909 10 0 ADAERN CC(C)C[C@H](NN)C(C)C 104551155 573009963 /nfs/dbraw/zinc/00/99/63/573009963.db2.gz NNPKDVYIQNBSLJ-QMMMGPOBSA-N 0 0 144.262 1.520 10 0 ADAERN CC1=C[C@@](C)(CO)CC[C@H]1O 238251840 573009976 /nfs/dbraw/zinc/00/99/76/573009976.db2.gz YTMMELOBLHJXLZ-BDAKNGLRSA-N 0 0 156.225 1.086 10 0 ADAERN CC1=CC2(OCCO2)C(C)=C(C)[C@@H]1O 238256977 573009992 /nfs/dbraw/zinc/00/99/92/573009992.db2.gz BOUVSUDOCOJPPP-SNVBAGLBSA-N 0 0 196.246 1.387 10 0 ADAERN Cc1cscc1NN 104557600 573010046 /nfs/dbraw/zinc/01/00/46/573010046.db2.gz IFWCEKGPZRBWBP-UHFFFAOYSA-N 0 0 128.200 1.342 10 0 ADAERN CC(C)[C@H](O)[C@@H](CO)c1ccccc1 308474382 573010065 /nfs/dbraw/zinc/01/00/65/573010065.db2.gz RSMHVERIZOOMPA-RYUDHWBXSA-N 0 0 194.274 1.779 10 0 ADAERN CC1=C2CCCC[C@H]2O[C@@H]1O 238252210 573010073 /nfs/dbraw/zinc/01/00/73/573010073.db2.gz DHZZGLOIMYICQQ-BDAKNGLRSA-N 0 0 154.209 1.594 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1)N[C@@H](C)C2 258218848 573010079 /nfs/dbraw/zinc/01/00/79/573010079.db2.gz VRMVSPLDRRLVTN-IUCAKERBSA-N 0 0 191.274 1.966 10 0 ADAERN Cc1cc[nH+]c(N)c1[C@H](C)CC(=O)[O-] 87925393 573010086 /nfs/dbraw/zinc/01/00/86/573010086.db2.gz XFJNIHZEBGZPLJ-SSDOTTSWSA-N 0 0 194.234 1.550 10 0 ADAERN C[C@H]1OCC[C@@H]1Cn1cncc1C=O 235683159 573010093 /nfs/dbraw/zinc/01/00/93/573010093.db2.gz GALBNEMSZQSDJO-RKDXNWHRSA-N 0 0 194.234 1.121 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)c1c[nH+]ccc1N 87926046 573010139 /nfs/dbraw/zinc/01/01/39/573010139.db2.gz SQJDWVBQHNCHDW-RNFRBKRXSA-N 0 0 194.234 1.488 10 0 ADAERN CN(C)[C@@H](N)c1ccc(Cl)s1 259598647 573010103 /nfs/dbraw/zinc/01/01/03/573010103.db2.gz QMOANMANTHNUOU-SSDOTTSWSA-N 0 0 190.699 1.920 10 0 ADAERN CCOC(=O)[C@]1(NC(C)C)CC[C@H]1C 308474642 573010275 /nfs/dbraw/zinc/01/02/75/573010275.db2.gz DAINBDSZIQHNJQ-KOLCDFICSA-N 0 0 199.294 1.716 10 0 ADAERN CCOC(=O)C1[C@H](C)C(=O)[C@H]1C 238251091 573010323 /nfs/dbraw/zinc/01/03/23/573010323.db2.gz QWJJBXSPTRNLAG-WDSKDSINSA-N 0 0 170.208 1.021 10 0 ADAERN CCOC=C(C)C 113510352 573010325 /nfs/dbraw/zinc/01/03/25/573010325.db2.gz IHCLUFSKPOJGDC-UHFFFAOYSA-N 0 0 100.161 1.947 10 0 ADAERN Cn1cnc([C@@]2(O)CCCC2(C)C)n1 714786234 573010334 /nfs/dbraw/zinc/01/03/34/573010334.db2.gz SKKSFHCOSZVWJI-JTQLQIEISA-N 0 0 195.266 1.213 10 0 ADAERN CC1=C2CCCC[C@@H]2O[C@H]1O 238251961 573010345 /nfs/dbraw/zinc/01/03/45/573010345.db2.gz DHZZGLOIMYICQQ-DTWKUNHWSA-N 0 0 154.209 1.594 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](O)CC 308222253 573010352 /nfs/dbraw/zinc/01/03/52/573010352.db2.gz LRDPWCBETXTWFA-HRDYMLBCSA-N 0 0 185.267 1.062 10 0 ADAERN CCOC(=O)[C@@]1(NC(C)C)CC[C@H]1C 308474643 573010358 /nfs/dbraw/zinc/01/03/58/573010358.db2.gz DAINBDSZIQHNJQ-MWLCHTKSSA-N 0 0 199.294 1.716 10 0 ADAERN CCCc1nnc2cc(C=O)ccn12 258217552 573010359 /nfs/dbraw/zinc/01/03/59/573010359.db2.gz KSOSLIAFMVKIFV-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN Nc1cc[nH+]cc1[C@@H]1CC[C@H]1C(=O)[O-] 87925098 573010489 /nfs/dbraw/zinc/01/04/89/573010489.db2.gz PZEZXKYERFQBAC-RNFRBKRXSA-N 0 0 192.218 1.242 10 0 ADAERN COC(=O)C[C@H](O)[C@H]1C[C@H]1C(C)C 308222084 573010492 /nfs/dbraw/zinc/01/04/92/573010492.db2.gz OTDWQELKMWVRAR-CIUDSAMLSA-N 0 0 186.251 1.203 10 0 ADAERN C[C@@]1(c2cnc(CN)o2)CCSC1 258217246 573010500 /nfs/dbraw/zinc/01/05/00/573010500.db2.gz YGBIESMDIMJQCA-SECBINFHSA-N 0 0 198.291 1.528 10 0 ADAERN Cn1cc([C@H](O)CCC(C)(C)C)nn1 308474238 573010634 /nfs/dbraw/zinc/01/06/34/573010634.db2.gz KJUXZCXLFFWDIE-SECBINFHSA-N 0 0 197.282 1.675 10 0 ADAERN CCN1C(=S)NC(C)(C)C[C@H]1C 238251768 573010507 /nfs/dbraw/zinc/01/05/07/573010507.db2.gz KSJXJQYAUWRYPJ-SSDOTTSWSA-N 0 0 186.324 1.754 10 0 ADAERN CCC[C@H](C[NH2+]C1CC1)C(=O)[O-] 258219357 573010515 /nfs/dbraw/zinc/01/05/15/573010515.db2.gz QQUYYPPTQUEXAC-SSDOTTSWSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@H]1CCCCN1C(=O)n1ccnc1 82375488 573010522 /nfs/dbraw/zinc/01/05/22/573010522.db2.gz CVAVMWKRTQTOSJ-SECBINFHSA-N 0 0 193.250 1.726 10 0 ADAERN CO[C@H](C)CC(=O)N[C@@H]1CC[C@@H]1C 308222368 573010529 /nfs/dbraw/zinc/01/05/29/573010529.db2.gz DAKVTNNNXFNBSS-DJLDLDEBSA-N 0 0 185.267 1.326 10 0 ADAERN CC1=C2CCCC[C@@H]2O[C@@H]1O 238251951 573010568 /nfs/dbraw/zinc/01/05/68/573010568.db2.gz DHZZGLOIMYICQQ-IUCAKERBSA-N 0 0 154.209 1.594 10 0 ADAERN CCCc1nc2[nH]ccc2c(=O)[nH]1 238252137 573010547 /nfs/dbraw/zinc/01/05/47/573010547.db2.gz LQEJZFGEOWONCD-UHFFFAOYSA-N 0 0 177.207 1.616 10 0 ADAERN Cc1cc(OCC[C@@H](C)F)nn1C 308221628 573010563 /nfs/dbraw/zinc/01/05/63/573010563.db2.gz CJJOLRNEHAMYEA-SSDOTTSWSA-N 0 0 186.230 1.855 10 0 ADAERN CC1=CC2(OCCO2)C(C)=C(C)[C@H]1O 238256986 573010586 /nfs/dbraw/zinc/01/05/86/573010586.db2.gz BOUVSUDOCOJPPP-JTQLQIEISA-N 0 0 196.246 1.387 10 0 ADAERN CC(C)SCCn1cc(N)nn1 379336045 573010593 /nfs/dbraw/zinc/01/05/93/573010593.db2.gz YQQRRHJMOYGWDN-UHFFFAOYSA-N 0 0 186.284 1.002 10 0 ADAERN CC1(C)C[C@@H]2[C@@H]3C=C[C@@H](C3=O)[C@@H]2[C@@H]1O 238251835 573010594 /nfs/dbraw/zinc/01/05/94/573010594.db2.gz DZICKLGPXKDKFV-VPWVSVFPSA-N 0 0 192.258 1.395 10 0 ADAERN COc1cc(CCON)cc(F)c1C 258222397 573010596 /nfs/dbraw/zinc/01/05/96/573010596.db2.gz VEHUCVYEUWSALW-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN Cc1nc(C(C)C)sc1NN 259309072 573010669 /nfs/dbraw/zinc/01/06/69/573010669.db2.gz NNKQFEBGGIYFGU-UHFFFAOYSA-N 0 0 171.269 1.861 10 0 ADAERN Nc1cc[nH+]cc1[C@H]1CC[C@@H]1C(=O)[O-] 87925097 573010727 /nfs/dbraw/zinc/01/07/27/573010727.db2.gz PZEZXKYERFQBAC-BQBZGAKWSA-N 0 0 192.218 1.242 10 0 ADAERN C[C@@H](CO)c1coc([C@@H]2CCOC2)n1 257923366 573010752 /nfs/dbraw/zinc/01/07/52/573010752.db2.gz DHWHASWQUXEKED-JGVFFNPUSA-N 0 0 197.234 1.274 10 0 ADAERN CC1(C)C[C@H]2C[C@@H]1C[C@@]2(C)C(N)=O 238251066 573010771 /nfs/dbraw/zinc/01/07/71/573010771.db2.gz YLZGRVVDEGNYGS-SOCHQFKDSA-N 0 0 181.279 1.934 10 0 ADAERN COc1ccc2oc(N)cc(=O)c2c1 196983202 573010786 /nfs/dbraw/zinc/01/07/86/573010786.db2.gz WBKDKYXVWWZZND-UHFFFAOYSA-N 0 0 191.186 1.384 10 0 ADAERN CC(=O)NCCC[Si](C)(C)C 196999980 573010815 /nfs/dbraw/zinc/01/08/15/573010815.db2.gz GPEQSFDBRKSBBM-UHFFFAOYSA-N 0 0 173.332 1.851 10 0 ADAERN CC(C)CC(C)(C)C(O)O 113537778 573010818 /nfs/dbraw/zinc/01/08/18/573010818.db2.gz IUYYVMKHUXDWEU-UHFFFAOYSA-N 0 0 146.230 1.369 10 0 ADAERN CC(C)COC(=O)C1=CCC1 113530557 573010896 /nfs/dbraw/zinc/01/08/96/573010896.db2.gz FMELRTSMAQDMSL-UHFFFAOYSA-N 0 0 154.209 1.906 10 0 ADAERN CCNc1cc(Cl)nc(NC)n1 238251742 573010914 /nfs/dbraw/zinc/01/09/14/573010914.db2.gz HCEHDZFVRPSQKR-UHFFFAOYSA-N 0 0 186.646 1.604 10 0 ADAERN C[C@H](c1c[nH+]ccc1N)[C@@H](C)C(=O)[O-] 87926047 573010934 /nfs/dbraw/zinc/01/09/34/573010934.db2.gz SQJDWVBQHNCHDW-NKWVEPMBSA-N 0 0 194.234 1.488 10 0 ADAERN CN(C)[C@H](N)c1ccc(Cl)s1 259598651 573010935 /nfs/dbraw/zinc/01/09/35/573010935.db2.gz QMOANMANTHNUOU-ZETCQYMHSA-N 0 0 190.699 1.920 10 0 ADAERN NNc1ccc(OC2CCC2)cc1 104562151 573010958 /nfs/dbraw/zinc/01/09/58/573010958.db2.gz PYBCKKWUNSKXDA-UHFFFAOYSA-N 0 0 178.235 1.904 10 0 ADAERN CCC(CC)C(=O)Nn1cccc1 308222259 573010971 /nfs/dbraw/zinc/01/09/71/573010971.db2.gz LRPWILNIEQKPME-UHFFFAOYSA-N 0 0 180.251 1.994 10 0 ADAERN C[C@@H]1Cc2cccc(CON)c2N1 257922984 573011898 /nfs/dbraw/zinc/01/18/98/573011898.db2.gz CDENCCMLANXGMZ-SSDOTTSWSA-N 0 0 178.235 1.433 10 0 ADAERN CCCc1noc([C@H](N)CC2CC2)n1 308475541 573010998 /nfs/dbraw/zinc/01/09/98/573010998.db2.gz KYDRHXFOTVYCIB-MRVPVSSYSA-N 0 0 195.266 1.822 10 0 ADAERN CCCO[C@H]1CCCNC(=O)C1 238251994 573011002 /nfs/dbraw/zinc/01/10/02/573011002.db2.gz WQKBGVUXQKLENY-QMMMGPOBSA-N 0 0 171.240 1.082 10 0 ADAERN CC(C)(C)CCNC(=O)C1COC1 308222046 573011003 /nfs/dbraw/zinc/01/10/03/573011003.db2.gz CNQMJEJKDQVURQ-UHFFFAOYSA-N 0 0 185.267 1.185 10 0 ADAERN Clc1ncnc2n[nH]c(C3CC3)c12 113543674 573011010 /nfs/dbraw/zinc/01/10/10/573011010.db2.gz GHJXWEJXIRJPGG-UHFFFAOYSA-N 0 0 194.625 1.884 10 0 ADAERN C[C@H](F)CCOC(=O)[C@H]1CCCO1 308221347 573011023 /nfs/dbraw/zinc/01/10/23/573011023.db2.gz CFYZVEGSOOKBEU-JGVFFNPUSA-N 0 0 190.214 1.457 10 0 ADAERN C[C@H](CO)c1coc([C@H]2CCOC2)n1 257923368 573011034 /nfs/dbraw/zinc/01/10/34/573011034.db2.gz DHWHASWQUXEKED-SFYZADRCSA-N 0 0 197.234 1.274 10 0 ADAERN CC1(C)O[C@@H]2[C@H](CC2(C)C)C1=O 238251975 573011067 /nfs/dbraw/zinc/01/10/67/573011067.db2.gz MIAJRYCDJMBZCM-HTRCEHHLSA-N 0 0 168.236 1.779 10 0 ADAERN CC[C@H]1Nc2cc(F)ccc2NC1=O 76887640 573011100 /nfs/dbraw/zinc/01/11/00/573011100.db2.gz CTEUZUNLVCGQSW-SSDOTTSWSA-N 0 0 194.209 1.968 10 0 ADAERN CS[C@@H]1CCCC[C@@H]1NN 104560959 573011113 /nfs/dbraw/zinc/01/11/13/573011113.db2.gz OVMJPFVDNBAFII-NKWVEPMBSA-N 0 0 160.286 1.124 10 0 ADAERN C[C@@H](C1CC1)[C@H](NN)c1cccnc1 128379521 573011131 /nfs/dbraw/zinc/01/11/31/573011131.db2.gz PCGQMGFHWXMPIJ-KWQFWETISA-N 0 0 191.278 1.632 10 0 ADAERN OCc1nc(C2CCSCC2)co1 258221039 573011153 /nfs/dbraw/zinc/01/11/53/573011153.db2.gz YORMICJFDQLBBY-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN CS[C@H]1CCCC[C@H]1NN 104560972 573011178 /nfs/dbraw/zinc/01/11/78/573011178.db2.gz OVMJPFVDNBAFII-RQJHMYQMSA-N 0 0 160.286 1.124 10 0 ADAERN Cc1cnn(C)c1CC[C@H](O)C(C)C 308475446 573011201 /nfs/dbraw/zinc/01/12/01/573011201.db2.gz KVXBXNXLNYUDIH-NSHDSACASA-N 0 0 196.294 1.678 10 0 ADAERN C[C@H](O)c1nc([C@@H]2C[C@@H]2C)no1 85396884 573012060 /nfs/dbraw/zinc/01/20/60/573012060.db2.gz YQSUVJOFLOAYBR-HCWXCVPCSA-N 0 0 168.196 1.246 10 0 ADAERN Cn1nc([C@@]2(C)CCCS2)cc1N 258220742 573011696 /nfs/dbraw/zinc/01/16/96/573011696.db2.gz YMDCLWDYECUMFB-SECBINFHSA-N 0 0 197.307 1.745 10 0 ADAERN C/C=C\C(=O)c1cncs1 395043598 573011698 /nfs/dbraw/zinc/01/16/98/573011698.db2.gz HIXBNLPDPUJQMU-IHWYPQMZSA-N 0 0 153.206 1.902 10 0 ADAERN CCCC(=O)OCc1ncccn1 308221328 573011717 /nfs/dbraw/zinc/01/17/17/573011717.db2.gz LFYWTURDAJAVKH-UHFFFAOYSA-N 0 0 180.207 1.320 10 0 ADAERN C[C@@H](O)COC(=O)/C=C\C(C)(C)C 308220887 573011732 /nfs/dbraw/zinc/01/17/32/573011732.db2.gz CDZRUFFKLYHKFK-RPSMYOMKSA-N 0 0 186.251 1.513 10 0 ADAERN Nc1nc2cccnc2c2nc[nH]c12 113544108 573011737 /nfs/dbraw/zinc/01/17/37/573011737.db2.gz FULSSJUSJYSWAE-UHFFFAOYSA-N 0 0 185.190 1.088 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H](C(=O)[O-])C1(C)C 259308905 573012052 /nfs/dbraw/zinc/01/20/52/573012052.db2.gz HVMCSHSNVPPVEC-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN CCCCNOCCC 113539189 573011783 /nfs/dbraw/zinc/01/17/83/573011783.db2.gz WHDYIAYYNYRBGP-UHFFFAOYSA-N 0 0 131.219 1.718 10 0 ADAERN Cc1cnc2c(ccn2CCCO)c1 258217237 573011793 /nfs/dbraw/zinc/01/17/93/573011793.db2.gz XFCWESOMPXGWTO-UHFFFAOYSA-N 0 0 190.246 1.727 10 0 ADAERN CS[C@H]1CCCC[C@@H]1NN 104560964 573011834 /nfs/dbraw/zinc/01/18/34/573011834.db2.gz OVMJPFVDNBAFII-BQBZGAKWSA-N 0 0 160.286 1.124 10 0 ADAERN CCCCOC(=O)[C@H](C)N1CCC1 308222261 573011866 /nfs/dbraw/zinc/01/18/66/573011866.db2.gz LRQYTCKXFNIQFQ-VIFPVBQESA-N 0 0 185.267 1.424 10 0 ADAERN COC(=O)/C=C\C[C@H]1CCCOC1 258219978 573011888 /nfs/dbraw/zinc/01/18/88/573011888.db2.gz OQFYTOIPKKWJKV-PVARNGBLSA-N 0 0 184.235 1.532 10 0 ADAERN CCN(C(=O)OC)C(C)(C)C 113532879 573011953 /nfs/dbraw/zinc/01/19/53/573011953.db2.gz FKRCPFCKCZYJLV-UHFFFAOYSA-N 0 0 159.229 1.873 10 0 ADAERN C[C@H](CO)COC(=O)CC(C)(C)C 308222065 573011981 /nfs/dbraw/zinc/01/19/81/573011981.db2.gz COCVXEMVXNDIOQ-MRVPVSSYSA-N 0 0 188.267 1.594 10 0 ADAERN Cc1cc(N)c(OCCCO)cc1C 308474819 573011996 /nfs/dbraw/zinc/01/19/96/573011996.db2.gz KPCKRUDYRUEPGH-UHFFFAOYSA-N 0 0 195.262 1.647 10 0 ADAERN CCN(N)c1ccccc1NC(C)=O 238253233 573012002 /nfs/dbraw/zinc/01/20/02/573012002.db2.gz DHJAXOVZOOYZQW-UHFFFAOYSA-N 0 0 193.250 1.345 10 0 ADAERN COC(=O)OC[C@H]1CCCC[C@@H]1O 308221610 573012006 /nfs/dbraw/zinc/01/20/06/573012006.db2.gz OMBFYUNBXPCSMS-SFYZADRCSA-N 0 0 188.223 1.321 10 0 ADAERN CC1(C)N=CN(O)C1(C)C 113523524 573012030 /nfs/dbraw/zinc/01/20/30/573012030.db2.gz TXYLBMBYGKASIC-UHFFFAOYSA-N 0 0 142.202 1.277 10 0 ADAERN CC[C@@H](C)N(CCO)c1cccnn1 308474922 573012034 /nfs/dbraw/zinc/01/20/34/573012034.db2.gz DEGOGIJZCSQYAK-SECBINFHSA-N 0 0 195.266 1.074 10 0 ADAERN C[C@H]1CCCCN1C(=O)n1ccnc1 82375489 573012048 /nfs/dbraw/zinc/01/20/48/573012048.db2.gz CVAVMWKRTQTOSJ-VIFPVBQESA-N 0 0 193.250 1.726 10 0 ADAERN CCOCc1nc(C)cn1C 257923126 573012074 /nfs/dbraw/zinc/01/20/74/573012074.db2.gz RTOAVAYTKJETBN-UHFFFAOYSA-N 0 0 154.213 1.265 10 0 ADAERN CCOc1ccc(CNOC)c(F)c1 258222132 573012117 /nfs/dbraw/zinc/01/21/17/573012117.db2.gz UZKQXZGAFCUQMT-UHFFFAOYSA-N 0 0 199.225 1.875 10 0 ADAERN CC(=O)Nc1ncc(CN(C)C)s1 113537867 573012124 /nfs/dbraw/zinc/01/21/24/573012124.db2.gz GSTVLZUBESBTHH-UHFFFAOYSA-N 0 0 199.279 1.163 10 0 ADAERN CC1(C)C[C@](C)(O)CC1=O 238252792 573012144 /nfs/dbraw/zinc/01/21/44/573012144.db2.gz VMAAFILEHALEJU-MRVPVSSYSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@H]1OCC[C@@H]1Cn1cccc1C=O 235682964 573012208 /nfs/dbraw/zinc/01/22/08/573012208.db2.gz YOSMVUOUIDEKQV-NXEZZACHSA-N 0 0 193.246 1.726 10 0 ADAERN C[C@H](O)c1nc([C@H]2C[C@H]2C)no1 85396880 573012839 /nfs/dbraw/zinc/01/28/39/573012839.db2.gz YQSUVJOFLOAYBR-SRQIZXRXSA-N 0 0 168.196 1.246 10 0 ADAERN CCCc1noc([C@@H](N)CC2CC2)n1 308475543 573012225 /nfs/dbraw/zinc/01/22/25/573012225.db2.gz KYDRHXFOTVYCIB-QMMMGPOBSA-N 0 0 195.266 1.822 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H](C(=O)[O-])C1(C)C 259308895 573012234 /nfs/dbraw/zinc/01/22/34/573012234.db2.gz HVMCSHSNVPPVEC-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN COC(=O)C1(c2ccc(C)o2)COC1 259308756 573012263 /nfs/dbraw/zinc/01/22/63/573012263.db2.gz RDOOYSAQCDJYRQ-UHFFFAOYSA-N 0 0 196.202 1.029 10 0 ADAERN CC(C)OC(=O)[C@@H]1CC1(C)C 113509666 573012293 /nfs/dbraw/zinc/01/22/93/573012293.db2.gz WGNSHEHOGNPOFX-ZETCQYMHSA-N 0 0 156.225 1.984 10 0 ADAERN NNc1ccc(-n2cccn2)cc1 104558688 573012342 /nfs/dbraw/zinc/01/23/42/573012342.db2.gz SXANJSWUQWXFAW-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC(=O)[C@@H]1CN(C)c2ccc(O)cc21 257923080 573012345 /nfs/dbraw/zinc/01/23/45/573012345.db2.gz CDZPXSKLDCKYAC-JTQLQIEISA-N 0 0 191.230 1.515 10 0 ADAERN CCOC(=O)[C@@H](C)Cc1ncco1 259595435 573012354 /nfs/dbraw/zinc/01/23/54/573012354.db2.gz CHHPUWYIUBXJRN-ZETCQYMHSA-N 0 0 183.207 1.416 10 0 ADAERN CCOC(=O)c1cc2c(s1)CCO2 259595441 573013053 /nfs/dbraw/zinc/01/30/53/573013053.db2.gz CHLZLKANSKGOPC-UHFFFAOYSA-N 0 0 198.243 1.860 10 0 ADAERN NNc1cccc(NCC2CC2)c1 104562140 573012361 /nfs/dbraw/zinc/01/23/61/573012361.db2.gz BMLHIJJIYSYWJX-UHFFFAOYSA-N 0 0 177.251 1.794 10 0 ADAERN CCN(N=O)c1ccc(O)cc1 238253404 573012390 /nfs/dbraw/zinc/01/23/90/573012390.db2.gz QLXSIONVEBKTTF-UHFFFAOYSA-N 0 0 166.180 1.900 10 0 ADAERN CC[C@@H](C)c1ccc(NN)cn1 104564427 573012434 /nfs/dbraw/zinc/01/24/34/573012434.db2.gz HKGWZSSETNCMKI-SSDOTTSWSA-N 0 0 165.240 1.881 10 0 ADAERN CC1=C[C@H](C(N)=O)CC(C)=CC1 238253108 573012467 /nfs/dbraw/zinc/01/24/67/573012467.db2.gz WDBNHOXJITVRKH-SECBINFHSA-N 0 0 165.236 1.774 10 0 ADAERN O=C1CCNc2cc(F)cc(F)c2N1 123440753 573012473 /nfs/dbraw/zinc/01/24/73/573012473.db2.gz NSNSFOSSCOVUEC-UHFFFAOYSA-N 0 0 198.172 1.719 10 0 ADAERN C[C@@H]1Cc2cccc(CCO)c2N1 257922990 573012497 /nfs/dbraw/zinc/01/24/97/573012497.db2.gz CDGFVUKSFOZWTH-MRVPVSSYSA-N 0 0 177.247 1.578 10 0 ADAERN Cc1nc([C@@H](C)CO)cs1 258217982 573012565 /nfs/dbraw/zinc/01/25/65/573012565.db2.gz UVOHZVPLJIAPNG-YFKPBYRVSA-N 0 0 157.238 1.547 10 0 ADAERN CC[C@H](C)N(CCO)c1cccnn1 308474924 573012585 /nfs/dbraw/zinc/01/25/85/573012585.db2.gz DEGOGIJZCSQYAK-VIFPVBQESA-N 0 0 195.266 1.074 10 0 ADAERN C[C@@H](C1CC1)[C@@H](NN)c1cccnc1 128379911 573012586 /nfs/dbraw/zinc/01/25/86/573012586.db2.gz PCGQMGFHWXMPIJ-GZMMTYOYSA-N 0 0 191.278 1.632 10 0 ADAERN C[C@]1(c2cnc(CN)o2)CCSC1 258217249 573012617 /nfs/dbraw/zinc/01/26/17/573012617.db2.gz YGBIESMDIMJQCA-VIFPVBQESA-N 0 0 198.291 1.528 10 0 ADAERN C=C(Sc1ccccc1)C(N)=O 141759107 573012623 /nfs/dbraw/zinc/01/26/23/573012623.db2.gz WMDLCTBHKJJSDL-UHFFFAOYSA-N 0 0 179.244 1.778 10 0 ADAERN CC1=C2OC(=O)C(=O)[C@@H]2CCC1 238253231 573012655 /nfs/dbraw/zinc/01/26/55/573012655.db2.gz ADKREBGDIMKBBV-LURJTMIESA-N 0 0 166.176 1.186 10 0 ADAERN CCC[C@H](O)CC1=C[C@@H](C)OC1=O 308223784 573012673 /nfs/dbraw/zinc/01/26/73/573012673.db2.gz POXBUQBVVGDRFE-APPZFPTMSA-N 0 0 184.235 1.409 10 0 ADAERN CC(F)(F)CC(=O)O[C@@H]1CCOC1 308223683 573012683 /nfs/dbraw/zinc/01/26/83/573012683.db2.gz 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/nfs/dbraw/zinc/01/28/09/573012809.db2.gz VPZFDSLLXRCCBV-KOLCDFICSA-N 0 0 191.274 1.909 10 0 ADAERN CCCOCC[C@@H](O)c1ccc[nH]1 308225177 573012815 /nfs/dbraw/zinc/01/28/15/573012815.db2.gz QJRWLFXQRKPNIS-SNVBAGLBSA-N 0 0 183.251 1.865 10 0 ADAERN CCC[C@@H](C[NH2+]C1CC1)C(=O)[O-] 258219358 573012822 /nfs/dbraw/zinc/01/28/22/573012822.db2.gz QQUYYPPTQUEXAC-ZETCQYMHSA-N 0 0 171.240 1.239 10 0 ADAERN CC(=O)COC(=O)[C@@H]1CC=CCC1 308223641 573012823 /nfs/dbraw/zinc/01/28/23/573012823.db2.gz DAMLNAPGAARJQZ-SECBINFHSA-N 0 0 182.219 1.475 10 0 ADAERN C[C@H](O)c1nc([C@@H]2C[C@H]2C)no1 85396883 573012825 /nfs/dbraw/zinc/01/28/25/573012825.db2.gz YQSUVJOFLOAYBR-NGJCXOISSA-N 0 0 168.196 1.246 10 0 ADAERN Cc1oncc1[C@H](C)[NH2+]C[C@@H](C)O 308224090 573012864 /nfs/dbraw/zinc/01/28/64/573012864.db2.gz DFSXTMFJXKEKAS-RQJHMYQMSA-N 0 0 184.239 1.014 10 0 ADAERN CC(=O)[C@H]1CN(C)c2ccc(O)cc21 257923082 573012879 /nfs/dbraw/zinc/01/28/79/573012879.db2.gz CDZPXSKLDCKYAC-SNVBAGLBSA-N 0 0 191.230 1.515 10 0 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/nfs/dbraw/zinc/01/32/84/573013284.db2.gz PKIJMAFSZKCSGL-HLTSFMKQSA-N 0 0 188.267 1.593 10 0 ADAERN OCc1coc([C@H]2CCCS2)n1 257923428 573013289 /nfs/dbraw/zinc/01/32/89/573013289.db2.gz DIPMOEATLNDVMJ-SSDOTTSWSA-N 0 0 185.248 1.735 10 0 ADAERN CCc1ccc(CC[C@H](C)O)nc1 393497149 573013300 /nfs/dbraw/zinc/01/33/00/573013300.db2.gz IKZYCIQIIPNWRD-VIFPVBQESA-N 0 0 179.263 1.957 10 0 ADAERN N[C@H](CC1CC1)C(=O)OCCC1CC1 308474432 573013342 /nfs/dbraw/zinc/01/33/42/573013342.db2.gz KOHUPQHYLCIQLG-SNVBAGLBSA-N 0 0 197.278 1.457 10 0 ADAERN Cn1ccc(-c2cccc(=S)[nH]2)n1 714787589 573013371 /nfs/dbraw/zinc/01/33/71/573013371.db2.gz ZHEXYQPAHZUZIC-UHFFFAOYSA-N 0 0 191.259 1.771 10 0 ADAERN CC1(C)[C@]2(C)CC[C@@]1(CO)CC2=O 238252755 573013386 /nfs/dbraw/zinc/01/33/86/573013386.db2.gz FFZJMFHZIVENBD-MNOVXSKESA-N 0 0 182.263 1.764 10 0 ADAERN Cn1cnc([C@]2(O)CCCC2(C)C)n1 714786237 573013403 /nfs/dbraw/zinc/01/34/03/573013403.db2.gz SKKSFHCOSZVWJI-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN 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/nfs/dbraw/zinc/01/36/09/573013609.db2.gz QGHIMJGAHURXTQ-ZETCQYMHSA-N 0 0 167.164 1.369 10 0 ADAERN Cc1ccc2ncc(C(N)=O)nc2c1 141758873 573013612 /nfs/dbraw/zinc/01/36/12/573013612.db2.gz SMVPKKFEMGXCGE-UHFFFAOYSA-N 0 0 187.202 1.037 10 0 ADAERN CC1(C)C[C@](C)(COC(N)=O)CO1 238252558 573013652 /nfs/dbraw/zinc/01/36/52/573013652.db2.gz KBZGHCPUGKWKBI-SECBINFHSA-N 0 0 187.239 1.287 10 0 ADAERN CC(C)OCc1coc(N)n1 258220868 573013653 /nfs/dbraw/zinc/01/36/53/573013653.db2.gz PGZHUDLIROPLBU-UHFFFAOYSA-N 0 0 156.185 1.182 10 0 ADAERN CNc1cc(F)ccn1 113657597 573013667 /nfs/dbraw/zinc/01/36/67/573013667.db2.gz IPJOPPLKZMQQSZ-UHFFFAOYSA-N 0 0 126.134 1.262 10 0 ADAERN O[C@H]1CC[C@@H](Oc2cccnc2)C1 259595045 573013673 /nfs/dbraw/zinc/01/36/73/573013673.db2.gz PSMMUNGKPXYFQD-DTWKUNHWSA-N 0 0 179.219 1.374 10 0 ADAERN C[C@H]1C[C@H](O)CC=CCCC(=O)O1 308222628 573013674 /nfs/dbraw/zinc/01/36/74/573013674.db2.gz OZVQGKLKHXNYBY-DTWKUNHWSA-N 0 0 184.235 1.409 10 0 ADAERN Cc1ccc(N)c(N=O)c1 104559329 573013702 /nfs/dbraw/zinc/01/37/02/573013702.db2.gz GMPOLBFESRQGCU-UHFFFAOYSA-N 0 0 136.154 1.975 10 0 ADAERN CO[C@H]1CCC=C(CCCCO)O1 308222584 573013706 /nfs/dbraw/zinc/01/37/06/573013706.db2.gz OYZWILSEBFZBBL-SNVBAGLBSA-N 0 0 186.251 1.816 10 0 ADAERN CC(C)SC(N)=S 104558217 573013808 /nfs/dbraw/zinc/01/38/08/573013808.db2.gz VVFTZRWKAKOSBY-UHFFFAOYSA-N 0 0 135.257 1.372 10 0 ADAERN CCCC(=O)Nc1cccc(NN)c1 104562145 573013825 /nfs/dbraw/zinc/01/38/25/573013825.db2.gz JTFGIKPTYXURJA-UHFFFAOYSA-N 0 0 193.250 1.711 10 0 ADAERN CC[C@H](C)c1ccc(NN)cn1 104564429 573013842 /nfs/dbraw/zinc/01/38/42/573013842.db2.gz HKGWZSSETNCMKI-ZETCQYMHSA-N 0 0 165.240 1.881 10 0 ADAERN CCCO[C@H]1NC(=O)c2ccccc21 238252397 573013853 /nfs/dbraw/zinc/01/38/53/573013853.db2.gz XRVXWSHITVWDBG-LLVKDONJSA-N 0 0 191.230 1.855 10 0 ADAERN CCN1C[C@@H](C)Nc2c(N)cccc21 259311032 573014003 /nfs/dbraw/zinc/01/40/03/573014003.db2.gz RHXUOQNVWLWDQP-MRVPVSSYSA-N 0 0 191.278 1.909 10 0 ADAERN CCC[C@@H](O)CC1=C[C@@H](C)OC1=O 308223790 573013921 /nfs/dbraw/zinc/01/39/21/573013921.db2.gz POXBUQBVVGDRFE-VXNVDRBHSA-N 0 0 184.235 1.409 10 0 ADAERN C/C=C\C[NH2+]C(CC)(CC)C(N)=O 308223373 573013927 /nfs/dbraw/zinc/01/39/27/573013927.db2.gz MCZVZIZXDOGKJN-DAXSKMNVSA-N 0 0 184.283 1.196 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)C1CC(C)C1 308224767 573013956 /nfs/dbraw/zinc/01/39/56/573013956.db2.gz DLFWWJQPQVQPCB-GGZGLXLBSA-N 0 0 184.235 1.553 10 0 ADAERN C/C=C\C(=O)N[C@H](CC)CCOC 308224912 573013964 /nfs/dbraw/zinc/01/39/64/573013964.db2.gz MOXZYMRCASZLIA-XTULLQBASA-N 0 0 185.267 1.494 10 0 ADAERN OC1(c2ccc(C3(O)CC3)cc2)CC1 259595233 573013997 /nfs/dbraw/zinc/01/39/97/573013997.db2.gz ZHROJITXQKWPIW-UHFFFAOYSA-N 0 0 190.242 1.649 10 0 ADAERN CCCn1ncnc1C(=O)C1CC1 308223249 573014008 /nfs/dbraw/zinc/01/40/08/573014008.db2.gz PGNBYCYWTWOTHX-UHFFFAOYSA-N 0 0 179.223 1.281 10 0 ADAERN CCOC(=O)C1=C[C@@H]2SC=C[C@H]2N1 238252757 573014025 /nfs/dbraw/zinc/01/40/25/573014025.db2.gz UWODPHGWHLYEIS-SVRRBLITSA-N 0 0 197.259 1.034 10 0 ADAERN 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MRWUCNWEXMDZQP-UHFFFAOYSA-N 0 0 193.193 1.239 10 0 ADAERN NNc1ccc2c(c1)C(=O)CC2 104558726 573014724 /nfs/dbraw/zinc/01/47/24/573014724.db2.gz KGGZDMFDAKLHNR-UHFFFAOYSA-N 0 0 162.192 1.101 10 0 ADAERN CC(=O)Oc1cccc(N)c1 113661272 573014984 /nfs/dbraw/zinc/01/49/84/573014984.db2.gz QMGCJAMWOGTGGV-UHFFFAOYSA-N 0 0 151.165 1.194 10 0 ADAERN CO[C@H](/C=C(\C)CO)C(C)C 213934949 573024161 /nfs/dbraw/zinc/02/41/61/573024161.db2.gz ISQRFMBQIVBHGK-WHXYTISESA-N 0 0 158.241 1.596 10 0 ADAERN OCCc1coc([C@H]2CCCO2)n1 257923551 573014766 /nfs/dbraw/zinc/01/47/66/573014766.db2.gz DKFANAQVUGGAEO-MRVPVSSYSA-N 0 0 183.207 1.061 10 0 ADAERN CCC(=O)c1ccnc(C)c1 113660386 573014814 /nfs/dbraw/zinc/01/48/14/573014814.db2.gz QCBQAJWUTRMQFU-UHFFFAOYSA-N 0 0 149.193 1.983 10 0 ADAERN CCCN(CCC)C(=O)[C@@H]1CCO1 308224859 573014822 /nfs/dbraw/zinc/01/48/22/573014822.db2.gz MOBQQVATFJIQKF-VIFPVBQESA-N 0 0 185.267 1.424 10 0 ADAERN CCCCc1ccnc(=NN)[nH]1 104559912 573014827 /nfs/dbraw/zinc/01/48/27/573014827.db2.gz RHZKOOVBCULIOU-UHFFFAOYSA-N 0 0 166.228 1.105 10 0 ADAERN O[C@@H]1CC[C@H](Oc2cccnc2)C1 259595043 573014847 /nfs/dbraw/zinc/01/48/47/573014847.db2.gz PSMMUNGKPXYFQD-BDAKNGLRSA-N 0 0 179.219 1.374 10 0 ADAERN CCOC1=Nc2ccccc2[C@@H](O)O1 238257089 573014854 /nfs/dbraw/zinc/01/48/54/573014854.db2.gz FVUYCQSRVCNRAL-VIFPVBQESA-N 0 0 193.202 1.732 10 0 ADAERN Cc1ccn(C(=O)NC(C)(C)C)n1 113634753 573014855 /nfs/dbraw/zinc/01/48/55/573014855.db2.gz ATXSAJDXEBGKRD-UHFFFAOYSA-N 0 0 181.239 1.548 10 0 ADAERN CC(F)(F)CC(=O)O[C@H]1CCOC1 308223682 573014862 /nfs/dbraw/zinc/01/48/62/573014862.db2.gz DBXPVTTXTRLYSL-LURJTMIESA-N 0 0 194.177 1.364 10 0 ADAERN O=C([O-])[C@H]1C2CC[NH+](CC2)[C@@H]1C1CC1 258224568 573014889 /nfs/dbraw/zinc/01/48/89/573014889.db2.gz YVMMNWOXIPSYJC-VHSXEESVSA-N 0 0 195.262 1.191 10 0 ADAERN C[C@@H]1Nc2cccc(N)c2N(C)C1=O 259311236 573014893 /nfs/dbraw/zinc/01/48/93/573014893.db2.gz RIQLTUBYJZDBOD-LURJTMIESA-N 0 0 191.234 1.046 10 0 ADAERN O=C1CCC(O[C@H]2CCOC2)CC1 113611421 573014903 /nfs/dbraw/zinc/01/49/03/573014903.db2.gz ZMTNZXFXBCMDOK-JTQLQIEISA-N 0 0 184.235 1.304 10 0 ADAERN Cc1cc(CO)c(N(C)C)cc1C 259595303 573014906 /nfs/dbraw/zinc/01/49/06/573014906.db2.gz ZJBYZZAMBILHIM-UHFFFAOYSA-N 0 0 179.263 1.862 10 0 ADAERN CC[C@@](C)(CO)N1CCCCC1=O 123440430 573014914 /nfs/dbraw/zinc/01/49/14/573014914.db2.gz AUDNPVBGPRTRKV-JTQLQIEISA-N 0 0 185.267 1.160 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)NCCCF 308223833 573014919 /nfs/dbraw/zinc/01/49/19/573014919.db2.gz MGZDLBJLUQRHNV-JGVFFNPUSA-N 0 0 188.246 1.444 10 0 ADAERN O[C@H]1CC[C@H](Oc2cccnc2)C1 259595046 573014959 /nfs/dbraw/zinc/01/49/59/573014959.db2.gz PSMMUNGKPXYFQD-IUCAKERBSA-N 0 0 179.219 1.374 10 0 ADAERN C[C@@H](O)c1coc([C@@H]2CCCCO2)n1 258225543 573014994 /nfs/dbraw/zinc/01/49/94/573014994.db2.gz VGLAOATYABVYEX-APPZFPTMSA-N 0 0 197.234 1.970 10 0 ADAERN CCCCCOCC(=O)NC(C)C 308224986 573015006 /nfs/dbraw/zinc/01/50/06/573015006.db2.gz MPUBDNPGRKLJTP-UHFFFAOYSA-N 0 0 187.283 1.718 10 0 ADAERN CCc1ncc(C=O)cc1F 113609238 573015399 /nfs/dbraw/zinc/01/53/99/573015399.db2.gz GMGRIWIEQWKRNY-UHFFFAOYSA-N 0 0 153.156 1.596 10 0 ADAERN CCCCCOC(=O)[C@H](CC)CO 308479900 573015019 /nfs/dbraw/zinc/01/50/19/573015019.db2.gz MYRHUJFFQROTBC-SECBINFHSA-N 0 0 188.267 1.738 10 0 ADAERN CC1=C2OC(=O)C(=O)[C@H]2CCC1 238253239 573015021 /nfs/dbraw/zinc/01/50/21/573015021.db2.gz ADKREBGDIMKBBV-ZCFIWIBFSA-N 0 0 166.176 1.186 10 0 ADAERN C[C@@H](NN)c1ccc(Cl)nc1 104560038 573015034 /nfs/dbraw/zinc/01/50/34/573015034.db2.gz UJUCLYVWWJFHTA-RXMQYKEDSA-N 0 0 171.631 1.259 10 0 ADAERN CC1(C)CCN(c2n[nH]c(N)n2)CC1 85420459 573015440 /nfs/dbraw/zinc/01/54/40/573015440.db2.gz SKMBOFRTEMJVMB-UHFFFAOYSA-N 0 0 195.270 1.013 10 0 ADAERN COC(=O)C[C@H](C)CC[C@@H](C)CO 308223353 573015699 /nfs/dbraw/zinc/01/56/99/573015699.db2.gz PLVJOOVBKYBMFA-RKDXNWHRSA-N 0 0 188.267 1.594 10 0 ADAERN CC(C)c1cn2c(n1)CC[C@@H](O)C2 257923485 573015098 /nfs/dbraw/zinc/01/50/98/573015098.db2.gz RSQFXPAIHAHNIO-MRVPVSSYSA-N 0 0 180.251 1.314 10 0 ADAERN 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/nfs/dbraw/zinc/01/53/04/573015304.db2.gz IAWQFAINOVGASU-RQJHMYQMSA-N 0 0 195.270 1.378 10 0 ADAERN NNc1cccc(-c2cnco2)c1 104558693 573015307 /nfs/dbraw/zinc/01/53/07/573015307.db2.gz PTAXWWRWGQHPRJ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCC(CC)N(C)c1n[nH]c(N)n1 85420396 573015342 /nfs/dbraw/zinc/01/53/42/573015342.db2.gz KGHFJHPKWWJKSJ-UHFFFAOYSA-N 0 0 183.259 1.012 10 0 ADAERN O=Cc1cc([C@@H]2CCCOC2)n[nH]1 259311155 573015374 /nfs/dbraw/zinc/01/53/74/573015374.db2.gz RIFZTOTUMZCUNW-SSDOTTSWSA-N 0 0 180.207 1.116 10 0 ADAERN C[C@H](O)c1coc([C@@H]2CCCCO2)n1 258225544 573015376 /nfs/dbraw/zinc/01/53/76/573015376.db2.gz VGLAOATYABVYEX-CBAPKCEASA-N 0 0 197.234 1.970 10 0 ADAERN CCC(O)C=O 113640151 573015414 /nfs/dbraw/zinc/01/54/14/573015414.db2.gz FBPDQDHCWMXCOK-ARJAWSKDSA-N 0 0 88.106 1.354 10 0 ADAERN CCNc1ccc(C)c(NCCO)c1 238252759 573016168 /nfs/dbraw/zinc/01/61/68/573016168.db2.gz YOKLFICHJHNHEP-UHFFFAOYSA-N 0 0 194.278 1.831 10 0 ADAERN C[NH+](C)C[C@H](C(=O)[O-])C1CCC1 258223699 573015519 /nfs/dbraw/zinc/01/55/19/573015519.db2.gz KOOZKOLWVIGOHY-QMMMGPOBSA-N 0 0 171.240 1.049 10 0 ADAERN COc1cc(C)c(C(N)=O)c(OC)c1 113633888 573015563 /nfs/dbraw/zinc/01/55/63/573015563.db2.gz PQKFBIVPDGGROX-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN C[C@H]1CCCC[C@@H]1Nc1n[nH]c(N)n1 85420053 573015586 /nfs/dbraw/zinc/01/55/86/573015586.db2.gz NLNDOXFFEAOSTJ-BQBZGAKWSA-N 0 0 195.270 1.378 10 0 ADAERN CC(=O)c1ccc2[nH]oc(=O)c2c1 257923584 573015605 /nfs/dbraw/zinc/01/56/05/573015605.db2.gz RTKCWWSCDJIHQI-UHFFFAOYSA-N 0 0 177.159 1.324 10 0 ADAERN O[C@H]1CCOC2(CCSCC2)C1 82391174 573015627 /nfs/dbraw/zinc/01/56/27/573015627.db2.gz CUQGLDQAYAJERJ-QMMMGPOBSA-N 0 0 188.292 1.424 10 0 ADAERN CCOC(=O)[C@H](C)C[C@@H](C)[C@@H](C)O 308223294 573015628 /nfs/dbraw/zinc/01/56/28/573015628.db2.gz PKIJMAFSZKCSGL-IWSPIJDZSA-N 0 0 188.267 1.593 10 0 ADAERN CCNC(=O)Oc1ccc(OC)cc1 224412080 573015635 /nfs/dbraw/zinc/01/56/35/573015635.db2.gz PKFXUTIZZBUMLY-UHFFFAOYSA-N 0 0 195.218 1.804 10 0 ADAERN CCC[C@](C)(CO)C(C)=O 238252861 573015641 /nfs/dbraw/zinc/01/56/41/573015641.db2.gz NZUGGMISMNJLGR-MRVPVSSYSA-N 0 0 144.214 1.374 10 0 ADAERN CS[C@@H]1CCCC[C@H]1NN 104560968 573015669 /nfs/dbraw/zinc/01/56/69/573015669.db2.gz OVMJPFVDNBAFII-RNFRBKRXSA-N 0 0 160.286 1.124 10 0 ADAERN CCCc1nc(-c2cnccn2)c[nH]1 238252975 573015671 /nfs/dbraw/zinc/01/56/71/573015671.db2.gz GEJFPIDBKMAHBF-UHFFFAOYSA-N 0 0 188.234 1.819 10 0 ADAERN C/C=C\C(=O)N[C@@H](CC)CCOC 308224909 573015683 /nfs/dbraw/zinc/01/56/83/573015683.db2.gz MOXZYMRCASZLIA-RNEXMXFGSA-N 0 0 185.267 1.494 10 0 ADAERN COC(=O)c1c(O)cc(C=O)cc1F 113652381 573015694 /nfs/dbraw/zinc/01/56/94/573015694.db2.gz NCAKZVGKSZCBRO-UHFFFAOYSA-N 0 0 198.149 1.130 10 0 ADAERN NN[C@@H]1N=NCc2ccccc21 104559841 573015696 /nfs/dbraw/zinc/01/56/96/573015696.db2.gz VBHNQIVBHYRXDM-MRVPVSSYSA-N 0 0 162.196 1.114 10 0 ADAERN CC(=O)O[C@@H](C)c1ccccc1N 113620383 573016177 /nfs/dbraw/zinc/01/61/77/573016177.db2.gz NAKWNJCGRVKBPY-ZETCQYMHSA-N 0 0 179.219 1.893 10 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/nfs/dbraw/zinc/01/59/18/573015918.db2.gz NBYWFWPXPXZZIA-LURJTMIESA-N 0 0 183.259 1.233 10 0 ADAERN O=C1CCc2cc(F)cc(F)c2N1 141700248 573016714 /nfs/dbraw/zinc/01/67/14/573016714.db2.gz NIBNRAUYWFPYST-UHFFFAOYSA-N 0 0 183.157 1.850 10 0 ADAERN COCCc1oncc1C(C)=O 259311454 573015962 /nfs/dbraw/zinc/01/59/62/573015962.db2.gz RJEFBEOJYAQDLW-UHFFFAOYSA-N 0 0 169.180 1.066 10 0 ADAERN CN1CC(=O)Nc2c(F)cc(F)cc21 123440523 573016001 /nfs/dbraw/zinc/01/60/01/573016001.db2.gz ZVLRGXDWEDCGGS-UHFFFAOYSA-N 0 0 198.172 1.353 10 0 ADAERN CC(=O)CO[C@@H](C)C(F)(F)F 85422180 573016027 /nfs/dbraw/zinc/01/60/27/573016027.db2.gz MFTSURDWKHPDLT-YFKPBYRVSA-N 0 0 170.130 1.543 10 0 ADAERN CC1(c2ncc(C=O)o2)CCOCC1 258227957 573016045 /nfs/dbraw/zinc/01/60/45/573016045.db2.gz ZEBRBGBJEWNSNS-UHFFFAOYSA-N 0 0 195.218 1.555 10 0 ADAERN O=C([O-])c1ocnc1[C@@H]1CCCC[NH2+]1 258226187 573016072 /nfs/dbraw/zinc/01/60/72/573016072.db2.gz ZAEMTJKLANJKHN-LURJTMIESA-N 0 0 196.206 1.187 10 0 ADAERN OCc1coc(C(F)F)c1 113652301 573016077 /nfs/dbraw/zinc/01/60/77/573016077.db2.gz PIZWHFZDMFVYPV-UHFFFAOYSA-N 0 0 148.108 1.710 10 0 ADAERN Cc1ccc(CCCO)cc1N 259595119 573016081 /nfs/dbraw/zinc/01/60/81/573016081.db2.gz ZFKJPDCEICQHSI-UHFFFAOYSA-N 0 0 165.236 1.502 10 0 ADAERN CCn1cc(C(=O)OC)nc1Cl 259594903 573016086 /nfs/dbraw/zinc/01/60/86/573016086.db2.gz LQTGVKCBTFQSKI-UHFFFAOYSA-N 0 0 188.614 1.343 10 0 ADAERN COC(CC[C@H](C)/C=C/CO)OC 308224336 573016104 /nfs/dbraw/zinc/01/61/04/573016104.db2.gz PYDTZZHUKYETTE-XNPJLODASA-N 0 0 188.267 1.570 10 0 ADAERN CC1CCC(Nc2n[nH]c(N)n2)CC1 85419932 573016133 /nfs/dbraw/zinc/01/61/33/573016133.db2.gz IROFOGPQEIEBLG-UHFFFAOYSA-N 0 0 195.270 1.378 10 0 ADAERN CCC[C@@H]1COC(=O)[C@H]1CCCO 308222536 573016138 /nfs/dbraw/zinc/01/61/38/573016138.db2.gz OXUMZZZVEUJULO-BDAKNGLRSA-N 0 0 186.251 1.348 10 0 ADAERN CN(CC1CCCC1)c1n[nH]c(N)n1 85420526 573016154 /nfs/dbraw/zinc/01/61/54/573016154.db2.gz MGSBSXHAIGSKFI-UHFFFAOYSA-N 0 0 195.270 1.013 10 0 ADAERN C[C@H]1CCCC[C@@H]1CNN 113654028 573016161 /nfs/dbraw/zinc/01/61/61/573016161.db2.gz XWCXEIRSDDLMMB-JGVFFNPUSA-N 0 0 142.246 1.276 10 0 ADAERN Nc1nc(NC2CCCCCC2)n[nH]1 85420326 573016164 /nfs/dbraw/zinc/01/61/64/573016164.db2.gz WFFRKUXCBCNKRG-UHFFFAOYSA-N 0 0 195.270 1.522 10 0 ADAERN CC[C@H](C)OCn1cccc(C)c1=O 308475724 573017248 /nfs/dbraw/zinc/01/72/48/573017248.db2.gz KJMALMDLBMADPY-JTQLQIEISA-N 0 0 195.262 1.929 10 0 ADAERN CC(=O)[C@@H]1Cc2c(F)cccc2N1 258226189 573016335 /nfs/dbraw/zinc/01/63/35/573016335.db2.gz PNAXNHDVEKFLFJ-JTQLQIEISA-N 0 0 179.194 1.751 10 0 ADAERN OCc1coc([C@H]2CCCSC2)n1 257923585 573016627 /nfs/dbraw/zinc/01/66/27/573016627.db2.gz DKHMEVGZCKDFOY-ZETCQYMHSA-N 0 0 199.275 1.778 10 0 ADAERN CC(C)CSC(N)=O 104566183 573016629 /nfs/dbraw/zinc/01/66/29/573016629.db2.gz CNJYJUQSFXBRBM-UHFFFAOYSA-N 0 0 133.216 1.454 10 0 ADAERN CCC(CC)OC(N)=O 104569459 573016379 /nfs/dbraw/zinc/01/63/79/573016379.db2.gz UTIDTCWOHJUCAI-UHFFFAOYSA-N 0 0 131.175 1.270 10 0 ADAERN CC(C)[S@@](=O)c1ccccc1NN 104565621 573016400 /nfs/dbraw/zinc/01/64/00/573016400.db2.gz AIRSFYWIAHXZJQ-ZDUSSCGKSA-N 0 0 198.291 1.488 10 0 ADAERN Cc1ccn(-c2cccc3nccn23)n1 128308977 573016431 /nfs/dbraw/zinc/01/64/31/573016431.db2.gz LZIKSIBKEICSBO-UHFFFAOYSA-N 0 0 198.229 1.828 10 0 ADAERN C[C@@]1(CO)CCc2ccc(O)cc2N1 258226326 573016439 /nfs/dbraw/zinc/01/64/39/573016439.db2.gz POOMJLNGJWRQTF-NSHDSACASA-N 0 0 193.246 1.501 10 0 ADAERN CCC(CC)[C@@H](O)c1ncnn1C 308223376 573016457 /nfs/dbraw/zinc/01/64/57/573016457.db2.gz PMHLVTHUBAVJBX-MRVPVSSYSA-N 0 0 183.255 1.285 10 0 ADAERN CCN(C)C(=O)Cc1ccccn1 308475635 573016458 /nfs/dbraw/zinc/01/64/58/573016458.db2.gz LWBJVBWUSLJHEN-UHFFFAOYSA-N 0 0 178.235 1.102 10 0 ADAERN CC[C@H]1C[C@@H]1[NH2+]Cc1cc(C)n[nH]1 308224423 573016491 /nfs/dbraw/zinc/01/64/91/573016491.db2.gz MJEKNCFXCVZHKK-WPRPVWTQSA-N 0 0 179.267 1.606 10 0 ADAERN OC1CCC(O[C@H]2CCOC2)CC1 113613826 573016495 /nfs/dbraw/zinc/01/64/95/573016495.db2.gz VTJHORUXPVBHQO-RTBKNWGFSA-N 0 0 186.251 1.095 10 0 ADAERN CC[S@](=O)c1ccccc1NN 104565617 573016496 /nfs/dbraw/zinc/01/64/96/573016496.db2.gz PRYITKPAALEUDE-GFCCVEGCSA-N 0 0 184.264 1.100 10 0 ADAERN CC(C)(C)COC(N)=S 104571748 573016521 /nfs/dbraw/zinc/01/65/21/573016521.db2.gz ITWWAVWXPBKUBS-UHFFFAOYSA-N 0 0 147.243 1.293 10 0 ADAERN CC1(C)C(=O)Nc2cc(NN)ccc21 104569852 573016532 /nfs/dbraw/zinc/01/65/32/573016532.db2.gz LEBASCFGZRDRCQ-UHFFFAOYSA-N 0 0 191.234 1.202 10 0 ADAERN C[C@@H]1CCCc2nncn21 258225287 573016541 /nfs/dbraw/zinc/01/65/41/573016541.db2.gz LCICZTNWVKOEHI-ZCFIWIBFSA-N 0 0 137.186 1.175 10 0 ADAERN CN(CC(C)(C)C)c1cncc(N)n1 82383786 573016591 /nfs/dbraw/zinc/01/65/91/573016591.db2.gz OXZOTMJDIFGSID-UHFFFAOYSA-N 0 0 194.282 1.541 10 0 ADAERN C[C@H](CO)[C@H](C)N[C@@H](C)C(F)(F)F 308223661 573016597 /nfs/dbraw/zinc/01/65/97/573016597.db2.gz DAPURDKPISVKHH-VQVTYTSYSA-N 0 0 199.216 1.544 10 0 ADAERN C[C@H]1CCC[C@H](Nc2n[nH]c(N)n2)C1 85420356 573016618 /nfs/dbraw/zinc/01/66/18/573016618.db2.gz IAWQFAINOVGASU-BQBZGAKWSA-N 0 0 195.270 1.378 10 0 ADAERN Cc1ccc2nc(C(N)=O)cnc2c1 141758652 573016669 /nfs/dbraw/zinc/01/66/69/573016669.db2.gz QORBFXAVXDQZKR-UHFFFAOYSA-N 0 0 187.202 1.037 10 0 ADAERN NC(=O)c1noc2cc(F)ccc12 141699960 573016679 /nfs/dbraw/zinc/01/66/79/573016679.db2.gz FQCTXKVXZUNRAJ-UHFFFAOYSA-N 0 0 180.138 1.066 10 0 ADAERN CC[C@@H](O)COc1cccc(O)c1 258223111 573016685 /nfs/dbraw/zinc/01/66/85/573016685.db2.gz QVVJLOLPPIKCSJ-MRVPVSSYSA-N 0 0 182.219 1.542 10 0 ADAERN CC(=O)c1coc(-c2ccccn2)n1 258224087 573016709 /nfs/dbraw/zinc/01/67/09/573016709.db2.gz VDYKHZAQRHNUGG-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN O=C1CCC(O[C@@H]2CCOC2)CC1 113611420 573016744 /nfs/dbraw/zinc/01/67/44/573016744.db2.gz ZMTNZXFXBCMDOK-SNVBAGLBSA-N 0 0 184.235 1.304 10 0 ADAERN Cc1cc(-c2ccnc(N)c2)nn1C 82391294 573016748 /nfs/dbraw/zinc/01/67/48/573016748.db2.gz AFYWDHXSYIBBDZ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCC[C@H](O)c1ncnn1CCC 308225217 573016754 /nfs/dbraw/zinc/01/67/54/573016754.db2.gz QLEIQETWFHTINJ-QMMMGPOBSA-N 0 0 183.255 1.522 10 0 ADAERN CCC[C@H](O)CC1=C[C@H](C)OC1=O 308223786 573016766 /nfs/dbraw/zinc/01/67/66/573016766.db2.gz POXBUQBVVGDRFE-CBAPKCEASA-N 0 0 184.235 1.409 10 0 ADAERN C[C@H](CO)[C@@H](C)N[C@H](C)C(F)(F)F 308223657 573016774 /nfs/dbraw/zinc/01/67/74/573016774.db2.gz DAPURDKPISVKHH-FSDSQADBSA-N 0 0 199.216 1.544 10 0 ADAERN CC[C@@H](C)OCn1cccc(C)c1=O 308475726 573016779 /nfs/dbraw/zinc/01/67/79/573016779.db2.gz KJMALMDLBMADPY-SNVBAGLBSA-N 0 0 195.262 1.929 10 0 ADAERN CC(C)c1cn2c(n1)CC[C@H](O)C2 257923489 573017298 /nfs/dbraw/zinc/01/72/98/573017298.db2.gz RSQFXPAIHAHNIO-QMMMGPOBSA-N 0 0 180.251 1.314 10 0 ADAERN COC(=O)C[C@@H](C)CC[C@@H](C)CO 308223344 573016828 /nfs/dbraw/zinc/01/68/28/573016828.db2.gz PLVJOOVBKYBMFA-DTWKUNHWSA-N 0 0 188.267 1.594 10 0 ADAERN C[C@H]1Cc2cc(CON)ccc2N1 258224202 573016834 /nfs/dbraw/zinc/01/68/34/573016834.db2.gz WAWVOCPEJWDGEH-ZETCQYMHSA-N 0 0 178.235 1.433 10 0 ADAERN CC(=O)COC(=O)[C@H]1CC=CCC1 308223644 573016850 /nfs/dbraw/zinc/01/68/50/573016850.db2.gz DAMLNAPGAARJQZ-VIFPVBQESA-N 0 0 182.219 1.475 10 0 ADAERN OCCc1coc([C@@H]2CCCO2)n1 257923555 573016857 /nfs/dbraw/zinc/01/68/57/573016857.db2.gz DKFANAQVUGGAEO-QMMMGPOBSA-N 0 0 183.207 1.061 10 0 ADAERN C[C@H](Nc1n[nH]c(N)n1)C1CCCC1 85420577 573016872 /nfs/dbraw/zinc/01/68/72/573016872.db2.gz ZSMSMFWWNKVRQB-LURJTMIESA-N 0 0 195.270 1.378 10 0 ADAERN CCN(O)C(=O)NCC(C)C 238253644 573016891 /nfs/dbraw/zinc/01/68/91/573016891.db2.gz HOFCLBLQWUFBGL-UHFFFAOYSA-N 0 0 160.217 1.063 10 0 ADAERN CCC[C@H]1COC(=O)[C@@H]1CCCO 308222540 573016903 /nfs/dbraw/zinc/01/69/03/573016903.db2.gz OXUMZZZVEUJULO-DTWKUNHWSA-N 0 0 186.251 1.348 10 0 ADAERN C[C@H]1CCN(c2n[nH]c(N)n2)[C@H](C)C1 85420415 573016910 /nfs/dbraw/zinc/01/69/10/573016910.db2.gz GWKMEKINZZQNHA-NKWVEPMBSA-N 0 0 195.270 1.012 10 0 ADAERN CC(C)[C@@H](C)OC(N)=O 104567158 573016933 /nfs/dbraw/zinc/01/69/33/573016933.db2.gz LBGWUZMLOWVHOG-RXMQYKEDSA-N 0 0 131.175 1.126 10 0 ADAERN CC(C)[C@@H]1CCCN1c1n[nH]c(N)n1 85420684 573016941 /nfs/dbraw/zinc/01/69/41/573016941.db2.gz MKOBWFSIUFOBKQ-ZETCQYMHSA-N 0 0 195.270 1.012 10 0 ADAERN C[C@@H]1Nc2cc(F)cc(F)c2NC1=O 123441181 573016963 /nfs/dbraw/zinc/01/69/63/573016963.db2.gz OZJRBJDUQUGKRV-BYPYZUCNSA-N 0 0 198.172 1.717 10 0 ADAERN CSCC[C@H](C)CO 113650815 573016981 /nfs/dbraw/zinc/01/69/81/573016981.db2.gz CWMRNBDKIZTSIB-LURJTMIESA-N 0 0 134.244 1.368 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1n[nH]c(N)n1 85420072 573016996 /nfs/dbraw/zinc/01/69/96/573016996.db2.gz MPKITESJEQQFSJ-WDSKDSINSA-N 0 0 183.259 1.233 10 0 ADAERN CC[C@@H](O)OCc1ccccc1 113629120 573017003 /nfs/dbraw/zinc/01/70/03/573017003.db2.gz JWDWROXBPTWEJO-JTQLQIEISA-N 0 0 166.220 1.932 10 0 ADAERN C[C@@H]1CCC[C@@H](Nc2n[nH]c(N)n2)C1 85420357 573017034 /nfs/dbraw/zinc/01/70/34/573017034.db2.gz IAWQFAINOVGASU-RNFRBKRXSA-N 0 0 195.270 1.378 10 0 ADAERN CC[C@H](NN)C1CCCCC1 113654867 573017057 /nfs/dbraw/zinc/01/70/57/573017057.db2.gz IPMYFEAYAQVHQS-VIFPVBQESA-N 0 0 156.273 1.809 10 0 ADAERN COC(=O)[C@H](C)c1ocnc1C 259595567 573017075 /nfs/dbraw/zinc/01/70/75/573017075.db2.gz CJOFAERZPIYLAL-RXMQYKEDSA-N 0 0 169.180 1.260 10 0 ADAERN CCN1C[C@H](c2ccc[nH]2)NC1=O 259596069 573017083 /nfs/dbraw/zinc/01/70/83/573017083.db2.gz WOOMSDAODDVXRT-MRVPVSSYSA-N 0 0 179.223 1.101 10 0 ADAERN CC[C@@H]1CCCN(c2n[nH]c(N)n2)C1 85420406 573017092 /nfs/dbraw/zinc/01/70/92/573017092.db2.gz XEQUUXZPSCQUAU-SSDOTTSWSA-N 0 0 195.270 1.013 10 0 ADAERN CN(c1n[nH]c(N)n1)C1CCCCC1 85420044 573017116 /nfs/dbraw/zinc/01/71/16/573017116.db2.gz YXZWGEFLDLZZKB-UHFFFAOYSA-N 0 0 195.270 1.156 10 0 ADAERN C/C=C/C(=O)N[C@H](CC)CCOC 308224908 573017124 /nfs/dbraw/zinc/01/71/24/573017124.db2.gz MOXZYMRCASZLIA-OTQAPUNGSA-N 0 0 185.267 1.494 10 0 ADAERN CCC(C)(C)N(C)c1n[nH]c(N)n1 85420560 573017138 /nfs/dbraw/zinc/01/71/38/573017138.db2.gz POEJQJDCGKRGLY-UHFFFAOYSA-N 0 0 183.259 1.012 10 0 ADAERN CC[C@H]1C[C@H]1[NH2+]Cc1cc(C)n[nH]1 308224421 573017156 /nfs/dbraw/zinc/01/71/56/573017156.db2.gz MJEKNCFXCVZHKK-WCBMZHEXSA-N 0 0 179.267 1.606 10 0 ADAERN OCc1coc([C@@H]2CCCSC2)n1 257923581 573017162 /nfs/dbraw/zinc/01/71/62/573017162.db2.gz DKHMEVGZCKDFOY-SSDOTTSWSA-N 0 0 199.275 1.778 10 0 ADAERN NNc1nnc(Cl)cc1C1CC1 104569962 573017182 /nfs/dbraw/zinc/01/71/82/573017182.db2.gz MAZPQIGRZZUZCY-UHFFFAOYSA-N 0 0 184.630 1.293 10 0 ADAERN C[C@@H](N(C)c1n[nH]c(N)n1)C(C)(C)C 85419981 573017210 /nfs/dbraw/zinc/01/72/10/573017210.db2.gz HTGSHGKTMUJHRY-ZCFIWIBFSA-N 0 0 197.286 1.258 10 0 ADAERN CC[C@H](Nc1n[nH]c(N)n1)C(C)C 85420081 573017222 /nfs/dbraw/zinc/01/72/22/573017222.db2.gz LAOCXORYRGOAQQ-LURJTMIESA-N 0 0 183.259 1.233 10 0 ADAERN COc1nc(C(C)(C)C)ccc1N 257923473 573017264 /nfs/dbraw/zinc/01/72/64/573017264.db2.gz RSOJAOHZMHFUKN-UHFFFAOYSA-N 0 0 180.251 1.970 10 0 ADAERN Cc1cc(NC(=O)N2CCCC2)n[nH]1 82381942 573017516 /nfs/dbraw/zinc/01/75/16/573017516.db2.gz CHDGZXBNIAGOFL-UHFFFAOYSA-N 0 0 194.238 1.346 10 0 ADAERN CC(=O)C(=O)Nc1cc(F)ccc1F 259033875 573017529 /nfs/dbraw/zinc/01/75/29/573017529.db2.gz UOSMSTZCGRGRKM-UHFFFAOYSA-N 0 0 199.156 1.492 10 0 ADAERN CCN1C[C@H](C)Nc2c(N)cccc21 259311049 573017550 /nfs/dbraw/zinc/01/75/50/573017550.db2.gz RHXUOQNVWLWDQP-QMMMGPOBSA-N 0 0 191.278 1.909 10 0 ADAERN CN1C[C@@H](c2ccncc2)N(C)C1=O 259595767 573017566 /nfs/dbraw/zinc/01/75/66/573017566.db2.gz WLOZJYWGUIHNPX-VIFPVBQESA-N 0 0 191.234 1.120 10 0 ADAERN C[C@H]1CCCCCN1c1n[nH]c(N)n1 85420583 573017582 /nfs/dbraw/zinc/01/75/82/573017582.db2.gz CHCYCJDDYRXFKI-ZETCQYMHSA-N 0 0 195.270 1.156 10 0 ADAERN CCN(N=O)c1ccccc1O 238253463 573017602 /nfs/dbraw/zinc/01/76/02/573017602.db2.gz FMNBCASJOBADNN-UHFFFAOYSA-N 0 0 166.180 1.900 10 0 ADAERN COC(=O)Cc1cc(C)sn1 259595526 573017611 /nfs/dbraw/zinc/01/76/11/573017611.db2.gz CJEHRQHLPKLRLW-UHFFFAOYSA-N 0 0 171.221 1.167 10 0 ADAERN CCOC(=O)[C@@H](C)Cc1c[nH]cn1 259595523 573017622 /nfs/dbraw/zinc/01/76/22/573017622.db2.gz CJBHVIMZOBECPA-ZETCQYMHSA-N 0 0 182.223 1.151 10 0 ADAERN Cc1cccc(CC(N)=O)c1C 113616351 573017628 /nfs/dbraw/zinc/01/76/28/573017628.db2.gz ZVGVFTGBSSOEEJ-UHFFFAOYSA-N 0 0 163.220 1.331 10 0 ADAERN CC[C@H](O)COc1cccc(O)c1 258223116 573017646 /nfs/dbraw/zinc/01/76/46/573017646.db2.gz QVVJLOLPPIKCSJ-QMMMGPOBSA-N 0 0 182.219 1.542 10 0 ADAERN C[C@@H](O)c1coc([C@H]2CCCCO2)n1 258225549 573017652 /nfs/dbraw/zinc/01/76/52/573017652.db2.gz VGLAOATYABVYEX-VXNVDRBHSA-N 0 0 197.234 1.970 10 0 ADAERN NC(=O)O[C@@H]1C=CCCC1 104567030 573017850 /nfs/dbraw/zinc/01/78/50/573017850.db2.gz KXMMCHQJFQHIPW-ZCFIWIBFSA-N 0 0 141.170 1.190 10 0 ADAERN CCN1C[C@@H](C2CCCC2)N(C)C1=O 259595941 573017860 /nfs/dbraw/zinc/01/78/60/573017860.db2.gz WNYHFONGAMJEGJ-JTQLQIEISA-N 0 0 196.294 1.933 10 0 ADAERN COc1cc(-n2ccnc2)ccc1N 82390991 573017887 /nfs/dbraw/zinc/01/78/87/573017887.db2.gz NDRYBXYOJFDWLK-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN COc1ccc(/C=C/CO)cc1N 113654130 573017894 /nfs/dbraw/zinc/01/78/94/573017894.db2.gz LQICCOKQYGVLPL-NSCUHMNNSA-N 0 0 179.219 1.283 10 0 ADAERN C[C@H](O[C@H]1CCC[C@@H]1O)C(F)(F)F 85422428 573017914 /nfs/dbraw/zinc/01/79/14/573017914.db2.gz CRDAWHNECWKWGQ-ACZMJKKPSA-N 0 0 198.184 1.867 10 0 ADAERN CCCn1c(C=O)nc2ncccc21 238257104 573017920 /nfs/dbraw/zinc/01/79/20/573017920.db2.gz KLHYULIIQZCCKY-UHFFFAOYSA-N 0 0 189.218 1.654 10 0 ADAERN C[C@H](O[C@@H]1CCC[C@@H]1O)C(F)(F)F 85422426 573017931 /nfs/dbraw/zinc/01/79/31/573017931.db2.gz CRDAWHNECWKWGQ-LYFYHCNISA-N 0 0 198.184 1.867 10 0 ADAERN CC1=C(C(=O)[O-])SC(=S)C1[NH3+] 82390816 573017933 /nfs/dbraw/zinc/01/79/33/573017933.db2.gz SIAZFEQHQOVVKX-UHFFFAOYSA-N 0 0 189.261 1.626 10 0 ADAERN C[C@H]1CCC[C@@H](Nc2n[nH]c(N)n2)C1 85420358 573017944 /nfs/dbraw/zinc/01/79/44/573017944.db2.gz IAWQFAINOVGASU-NKWVEPMBSA-N 0 0 195.270 1.378 10 0 ADAERN C[C@@H]1CCCN(C(=O)n2ccnc2)C1 82390150 573017951 /nfs/dbraw/zinc/01/79/51/573017951.db2.gz KXBGEGGXCLNNOI-SECBINFHSA-N 0 0 193.250 1.583 10 0 ADAERN CC(C)C[C@@H](C)Nc1n[nH]c(N)n1 85420353 573017968 /nfs/dbraw/zinc/01/79/68/573017968.db2.gz NBYWFWPXPXZZIA-ZCFIWIBFSA-N 0 0 183.259 1.233 10 0 ADAERN CC[C@@H](Nc1n[nH]c(N)n1)C(C)C 85420082 573017983 /nfs/dbraw/zinc/01/79/83/573017983.db2.gz LAOCXORYRGOAQQ-ZCFIWIBFSA-N 0 0 183.259 1.233 10 0 ADAERN Nc1cccc(N)c1N1CCCCC1 113654271 573017991 /nfs/dbraw/zinc/01/79/91/573017991.db2.gz RAEFIDKCIFDVLM-UHFFFAOYSA-N 0 0 191.278 1.841 10 0 ADAERN CCC(C)(C)C(=O)Nc1ncc[nH]1 82382905 573018012 /nfs/dbraw/zinc/01/80/12/573018012.db2.gz BKUNTDOZILWTPR-UHFFFAOYSA-N 0 0 181.239 1.206 10 0 ADAERN Cc1cccc(C)c1[C@H](C)NN 104571106 573018088 /nfs/dbraw/zinc/01/80/88/573018088.db2.gz SCOOTQIZGOSQKQ-VIFPVBQESA-N 0 0 164.252 1.828 10 0 ADAERN CCC(CC)CCNN 113656285 573018090 /nfs/dbraw/zinc/01/80/90/573018090.db2.gz TUJDZBCXUPOERQ-UHFFFAOYSA-N 0 0 130.235 1.276 10 0 ADAERN COc1nc([C@@H](O)CC2CC2)cs1 308226587 573018110 /nfs/dbraw/zinc/01/81/10/573018110.db2.gz QZUKELJGLFWYLZ-QMMMGPOBSA-N 0 0 199.275 1.985 10 0 ADAERN CC(=O)CCOC(=O)[C@H](C)C(C)C 308226283 573018138 /nfs/dbraw/zinc/01/81/38/573018138.db2.gz DXWNKTIIJITSKB-SECBINFHSA-N 0 0 186.251 1.801 10 0 ADAERN CSCC[C@@H](C)CO 113650813 573018142 /nfs/dbraw/zinc/01/81/42/573018142.db2.gz CWMRNBDKIZTSIB-ZCFIWIBFSA-N 0 0 134.244 1.368 10 0 ADAERN CCNc1ccc(O)cn1 238253952 573018146 /nfs/dbraw/zinc/01/81/46/573018146.db2.gz VLUNPJCBHKXLJG-UHFFFAOYSA-N 0 0 138.170 1.219 10 0 ADAERN CC[C@@H]1CCCCN1c1n[nH]c(N)n1 85420329 573018154 /nfs/dbraw/zinc/01/81/54/573018154.db2.gz VZEIKLHSTFORAM-SSDOTTSWSA-N 0 0 195.270 1.156 10 0 ADAERN C[C@]1(CO)CCc2ccc(O)cc2N1 258226321 573018305 /nfs/dbraw/zinc/01/83/05/573018305.db2.gz POOMJLNGJWRQTF-LLVKDONJSA-N 0 0 193.246 1.501 10 0 ADAERN Cc1cnc2cc(F)c(=NN)cc-2[nH]1 104571110 573018203 /nfs/dbraw/zinc/01/82/03/573018203.db2.gz XHNJACGTKUUBHK-UHFFFAOYSA-N 0 0 192.197 1.363 10 0 ADAERN CCO/C=C/C(=O)c1nccn1C 382254749 573018248 /nfs/dbraw/zinc/01/82/48/573018248.db2.gz JRDOPBFJDFYKGQ-QPJJXVBHSA-N 0 0 180.207 1.153 10 0 ADAERN O=C([O-])C1([NH2+]CCCCF)CCC1 308225769 573018265 /nfs/dbraw/zinc/01/82/65/573018265.db2.gz QRHKNDCLSOUCFV-UHFFFAOYSA-N 0 0 189.230 1.333 10 0 ADAERN Cn1c(C=O)cnc1C(C)(C)C 141726025 573018273 /nfs/dbraw/zinc/01/82/73/573018273.db2.gz KFCQEBICGLMNTP-UHFFFAOYSA-N 0 0 166.224 1.530 10 0 ADAERN CC(C)CCSC(N)=O 104567167 573018280 /nfs/dbraw/zinc/01/82/80/573018280.db2.gz MSLHFYKXILABBQ-UHFFFAOYSA-N 0 0 147.243 1.844 10 0 ADAERN CCCc1nc2nc(C)c(C)nc2[nH]1 238254050 573018306 /nfs/dbraw/zinc/01/83/06/573018306.db2.gz GNHLDLXMIRGBKN-UHFFFAOYSA-N 0 0 190.250 1.922 10 0 ADAERN C[C@@H]1CCCN(c2n[nH]c(N)n2)[C@@H]1C 85419918 573018281 /nfs/dbraw/zinc/01/82/81/573018281.db2.gz GFZLUZDJJCCNAT-RNFRBKRXSA-N 0 0 195.270 1.012 10 0 ADAERN CCCC(O)=C(C)C(N)=O 104570538 573018293 /nfs/dbraw/zinc/01/82/93/573018293.db2.gz NIIXGYOTLCQYCC-AATRIKPKSA-N 0 0 143.186 1.104 10 0 ADAERN O[C@@H]1CCOC2(CCSCC2)C1 82391173 573018316 /nfs/dbraw/zinc/01/83/16/573018316.db2.gz CUQGLDQAYAJERJ-MRVPVSSYSA-N 0 0 188.292 1.424 10 0 ADAERN CC[C@H](C)OCn1cc(C)c(N)n1 379347388 573018319 /nfs/dbraw/zinc/01/83/19/573018319.db2.gz HAJQLWPNKFZRKV-QMMMGPOBSA-N 0 0 183.255 1.377 10 0 ADAERN Cc1cc(NN)c2cccc(O)c2n1 104567757 573018329 /nfs/dbraw/zinc/01/83/29/573018329.db2.gz COABKOWXBLMOCS-UHFFFAOYSA-N 0 0 189.218 1.534 10 0 ADAERN CCN(OC)C(=O)C1=COCCC1 308226741 573018342 /nfs/dbraw/zinc/01/83/42/573018342.db2.gz NFGOSAQQHNJEQO-UHFFFAOYSA-N 0 0 185.223 1.091 10 0 ADAERN CC1=C[C@H](CO)CC1(C)C 238253424 573018352 /nfs/dbraw/zinc/01/83/52/573018352.db2.gz CLXYWRPGMXDNPZ-QMMMGPOBSA-N 0 0 140.226 1.971 10 0 ADAERN CC1=C[C@H](O)CC(C)(C)C[C@H]1O 238253764 573018401 /nfs/dbraw/zinc/01/84/01/573018401.db2.gz RRVNDVLWFDGEHN-DTWKUNHWSA-N 0 0 170.252 1.475 10 0 ADAERN C[C@@H]1C(=O)Nc2ccccc2[C@H]1O 141706265 573018417 /nfs/dbraw/zinc/01/84/17/573018417.db2.gz FAYNZGSEDALRNM-RCOVLWMOSA-N 0 0 177.203 1.308 10 0 ADAERN CC(C)[C@H]1CCCN1c1n[nH]c(N)n1 85420685 573018445 /nfs/dbraw/zinc/01/84/45/573018445.db2.gz MKOBWFSIUFOBKQ-SSDOTTSWSA-N 0 0 195.270 1.012 10 0 ADAERN CCC1CCN(c2n[nH]c(N)n2)CC1 85420286 573018538 /nfs/dbraw/zinc/01/85/38/573018538.db2.gz XGTJBRUPQKLGLN-UHFFFAOYSA-N 0 0 195.270 1.013 10 0 ADAERN CC1(C)C[C@]12CCC[C@@H]2O 238253467 573018547 /nfs/dbraw/zinc/01/85/47/573018547.db2.gz DCTNYUGUEWSJDO-CBAPKCEASA-N 0 0 140.226 1.948 10 0 ADAERN CC1(C)O[C@H]2C[C@H](CO)C=C[C@H]2O1 141728700 573018552 /nfs/dbraw/zinc/01/85/52/573018552.db2.gz CXWFUXZPQGXWNA-HLTSFMKQSA-N 0 0 184.235 1.075 10 0 ADAERN CCCC1(CCCO)OCCO1 113653168 573019005 /nfs/dbraw/zinc/01/90/05/573019005.db2.gz WYJGRTNXVUQMJN-UHFFFAOYSA-N 0 0 174.240 1.302 10 0 ADAERN COc1cc(-n2cccn2)ccc1N 82390998 573018587 /nfs/dbraw/zinc/01/85/87/573018587.db2.gz LQYCWFDQDGDZNO-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN NOCc1c[nH]c2cccc(O)c12 258223420 573018608 /nfs/dbraw/zinc/01/86/08/573018608.db2.gz PKVKEZUWWYEDHO-UHFFFAOYSA-N 0 0 178.191 1.264 10 0 ADAERN C[C@H](Nc1n[nH]c(N)n1)c1ccco1 85420373 573018612 /nfs/dbraw/zinc/01/86/12/573018612.db2.gz VUIDFOHWANZYOY-YFKPBYRVSA-N 0 0 193.210 1.153 10 0 ADAERN C[C@H]1CCCN(c2n[nH]c(N)n2)CC1 85420525 573018626 /nfs/dbraw/zinc/01/86/26/573018626.db2.gz DWIARZCWAOTBKX-ZETCQYMHSA-N 0 0 195.270 1.013 10 0 ADAERN Cc1c[nH+]c(NCC2CC2)c(N)c1 85425154 573018653 /nfs/dbraw/zinc/01/86/53/573018653.db2.gz PWOHJCPVUWFSJF-UHFFFAOYSA-N 0 0 177.251 1.794 10 0 ADAERN C[NH+](C)C[C@@H](C(=O)[O-])C1CCC1 258223697 573018657 /nfs/dbraw/zinc/01/86/57/573018657.db2.gz KOOZKOLWVIGOHY-MRVPVSSYSA-N 0 0 171.240 1.049 10 0 ADAERN COC[C@@H](C)Nc1[nH+]cc(C)cc1N 85425163 573018666 /nfs/dbraw/zinc/01/86/66/573018666.db2.gz MVULZHWMGNDOMA-MRVPVSSYSA-N 0 0 195.266 1.419 10 0 ADAERN NC(=O)c1ccc2cccc(N)c2c1 141731692 573018697 /nfs/dbraw/zinc/01/86/97/573018697.db2.gz LONHBLBQSIIOED-UHFFFAOYSA-N 0 0 186.214 1.521 10 0 ADAERN Cc1ccc(N(C)[C@H](C)C(=O)[O-])nc1 85424405 573018729 /nfs/dbraw/zinc/01/87/29/573018729.db2.gz AXNDBYQDGHJABL-MRVPVSSYSA-N 0 0 194.234 1.299 10 0 ADAERN CC1(C)C[C@]12C[C@@H]2CO 238253511 573019014 /nfs/dbraw/zinc/01/90/14/573019014.db2.gz PQLLYMLRFIKRJC-SVRRBLITSA-N 0 0 126.199 1.415 10 0 ADAERN CC1(C)CCCN(c2n[nH]c(N)n2)C1 85420576 573018754 /nfs/dbraw/zinc/01/87/54/573018754.db2.gz KSKSSRAKPSHIGP-UHFFFAOYSA-N 0 0 195.270 1.013 10 0 ADAERN O=Cc1cc([C@H]2CCCOC2)n[nH]1 259311170 573018794 /nfs/dbraw/zinc/01/87/94/573018794.db2.gz RIFZTOTUMZCUNW-ZETCQYMHSA-N 0 0 180.207 1.116 10 0 ADAERN COC(=O)CO[C@@H](C)C(F)(F)F 85420993 573018774 /nfs/dbraw/zinc/01/87/74/573018774.db2.gz LMXNTVQWMWMQSM-BYPYZUCNSA-N 0 0 186.129 1.127 10 0 ADAERN COC(=O)Cc1cc(C)sc1F 259595621 573018776 /nfs/dbraw/zinc/01/87/76/573018776.db2.gz CKOWXXVITRLESS-UHFFFAOYSA-N 0 0 188.223 1.911 10 0 ADAERN CC[C@@H](OC(N)=O)C(C)C 104569364 573018813 /nfs/dbraw/zinc/01/88/13/573018813.db2.gz SWLXHONZWPNIDN-ZCFIWIBFSA-N 0 0 145.202 1.516 10 0 ADAERN COC(=O)/C=C\CC[C@@H]1C[C@@H]1CO 308227201 573019018 /nfs/dbraw/zinc/01/90/18/573019018.db2.gz RBYCERQFGDCLAZ-NUDHGDNISA-N 0 0 184.235 1.124 10 0 ADAERN C[C@H]1CC[C@H](C)N(c2n[nH]c(N)n2)C1 85420680 573018817 /nfs/dbraw/zinc/01/88/17/573018817.db2.gz YJYPAPCJUFFYET-BQBZGAKWSA-N 0 0 195.270 1.012 10 0 ADAERN C[C@@H]1CCCC[C@H]1CNN 113654030 573018835 /nfs/dbraw/zinc/01/88/35/573018835.db2.gz XWCXEIRSDDLMMB-SFYZADRCSA-N 0 0 142.246 1.276 10 0 ADAERN Cc1ncc(C=O)n1C(C)C 141731694 573018858 /nfs/dbraw/zinc/01/88/58/573018858.db2.gz KEAPDYCKLNVGHJ-UHFFFAOYSA-N 0 0 152.197 1.585 10 0 ADAERN CC1=C[C@H](NC(N)=O)CC(C)(C)C1 238253629 573018867 /nfs/dbraw/zinc/01/88/67/573018867.db2.gz NGUKDKMJVIAFAF-QMMMGPOBSA-N 0 0 182.267 1.790 10 0 ADAERN CN(C)c1cc(F)c(F)cc1C=O 259312429 573018868 /nfs/dbraw/zinc/01/88/68/573018868.db2.gz CEBRAPRKQMFCFA-UHFFFAOYSA-N 0 0 185.173 1.843 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](c2cncs2)[NH2+]1 82384523 573018869 /nfs/dbraw/zinc/01/88/69/573018869.db2.gz ZEBMAWQHYBPGMD-NTSWFWBYSA-N 0 0 198.247 1.021 10 0 ADAERN CCc1c(C=O)cnn1C1CC1 141719617 573018887 /nfs/dbraw/zinc/01/88/87/573018887.db2.gz JKOHKWDXGODANO-UHFFFAOYSA-N 0 0 164.208 1.593 10 0 ADAERN C[C@@H]1CCCN(c2n[nH]c(N)n2)CC1 85420524 573018986 /nfs/dbraw/zinc/01/89/86/573018986.db2.gz DWIARZCWAOTBKX-SSDOTTSWSA-N 0 0 195.270 1.013 10 0 ADAERN CC/C=C/C[C@@H]1O[C@H](OC)C[C@H]1O 308226481 573018935 /nfs/dbraw/zinc/01/89/35/573018935.db2.gz QVAQCPKTEQSAMH-RQYQQKASSA-N 0 0 186.251 1.465 10 0 ADAERN CCC(=O)N1C[C@@H](O)CCC1(C)C 259310981 573018944 /nfs/dbraw/zinc/01/89/44/573018944.db2.gz WTXBEDBYEJINOG-QMMMGPOBSA-N 0 0 185.267 1.158 10 0 ADAERN CC(C)SC(N)=O 104570456 573018959 /nfs/dbraw/zinc/01/89/59/573018959.db2.gz PDINHAVFTZLOLV-UHFFFAOYSA-N 0 0 119.189 1.207 10 0 ADAERN C[C@H](O)c1coc([C@H]2CCCCO2)n1 258225547 573018960 /nfs/dbraw/zinc/01/89/60/573018960.db2.gz VGLAOATYABVYEX-IONNQARKSA-N 0 0 197.234 1.970 10 0 ADAERN COC(=O)/C=C/CC[C@@H]1C[C@H]1CO 308227206 573018961 /nfs/dbraw/zinc/01/89/61/573018961.db2.gz RBYCERQFGDCLAZ-ZHBVTVBMSA-N 0 0 184.235 1.124 10 0 ADAERN CC(C)C[C@H]1OC(C)(C)O[C@H]1CO 141710707 573018967 /nfs/dbraw/zinc/01/89/67/573018967.db2.gz MLUIQFVRBUSZRD-BDAKNGLRSA-N 0 0 188.267 1.545 10 0 ADAERN Cc1cc(NC(=O)NC2CC2)n[nH]1 82381945 573018972 /nfs/dbraw/zinc/01/89/72/573018972.db2.gz PHOKUTRUDCKMIB-UHFFFAOYSA-N 0 0 180.211 1.002 10 0 ADAERN CC(C)[S@](=O)c1ccccc1NN 104565625 573018975 /nfs/dbraw/zinc/01/89/75/573018975.db2.gz AIRSFYWIAHXZJQ-CYBMUJFWSA-N 0 0 198.291 1.488 10 0 ADAERN C[C@H]1CC[C@H](C(N)=O)CC1 104569394 573018979 /nfs/dbraw/zinc/01/89/79/573018979.db2.gz BMEMSZNEGPFYMC-KNVOCYPGSA-N 0 0 141.214 1.298 10 0 ADAERN CCOC(=O)[C@H](C)Cc1c[nH]cn1 259595519 573019036 /nfs/dbraw/zinc/01/90/36/573019036.db2.gz CJBHVIMZOBECPA-SSDOTTSWSA-N 0 0 182.223 1.151 10 0 ADAERN CCOC1=CC(=O)N[C@@H](C(C)(C)C)C1 238253449 573019029 /nfs/dbraw/zinc/01/90/29/573019029.db2.gz ZGIDJPWZGBTHAD-SECBINFHSA-N 0 0 197.278 1.841 10 0 ADAERN OC1CCC(O[C@@H]2CCOC2)CC1 113613823 573019413 /nfs/dbraw/zinc/01/94/13/573019413.db2.gz VTJHORUXPVBHQO-UDNWOFFPSA-N 0 0 186.251 1.095 10 0 ADAERN 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NDNHMBWVNPEUGH-LLVKDONJSA-N 0 0 194.230 1.828 10 0 ADAERN C[C@@H](Nc1n[nH]c(N)n1)C1CCCC1 85420578 573021017 /nfs/dbraw/zinc/02/10/17/573021017.db2.gz ZSMSMFWWNKVRQB-ZCFIWIBFSA-N 0 0 195.270 1.378 10 0 ADAERN CC[S@@](=O)c1ccccc1NN 104565613 573021021 /nfs/dbraw/zinc/02/10/21/573021021.db2.gz PRYITKPAALEUDE-LBPRGKRZSA-N 0 0 184.264 1.100 10 0 ADAERN CC1=C[C@]2(O)C[C@H]1CCCC2=O 238257180 573021024 /nfs/dbraw/zinc/02/10/24/573021024.db2.gz IMCQOVXRNBMSGW-SCZZXKLOSA-N 0 0 166.220 1.437 10 0 ADAERN NC(=O)O[C@H]1C=CCCC1 104567027 573021031 /nfs/dbraw/zinc/02/10/31/573021031.db2.gz KXMMCHQJFQHIPW-LURJTMIESA-N 0 0 141.170 1.190 10 0 ADAERN O=C(CC1CC1)NCc1cncs1 308225497 573021033 /nfs/dbraw/zinc/02/10/33/573021033.db2.gz MVSZAKFEYNHVKU-UHFFFAOYSA-N 0 0 196.275 1.559 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cc(Cl)nc(N)n1 82403753 573021094 /nfs/dbraw/zinc/02/10/94/573021094.db2.gz ZKOSQCDQHNJFGM-WHFBIAKZSA-N 0 0 198.657 1.533 10 0 ADAERN Cc1cn(C)c(=O)c2cc(O)ccc12 259595618 573021099 /nfs/dbraw/zinc/02/10/99/573021099.db2.gz CWSWSQYCDVPVOJ-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN CCOC1=CC(=O)N[C@H]1C(C)C 238253512 573021108 /nfs/dbraw/zinc/02/11/08/573021108.db2.gz OAWQHTBTHZHICS-VIFPVBQESA-N 0 0 169.224 1.061 10 0 ADAERN c1ccc(OCO[C@H]2CCOC2)cc1 308482842 573021117 /nfs/dbraw/zinc/02/11/17/573021117.db2.gz NDNHMBWVNPEUGH-NSHDSACASA-N 0 0 194.230 1.828 10 0 ADAERN CC(=O)CCOC(=O)[C@@H](C)C(C)C 308226286 573021131 /nfs/dbraw/zinc/02/11/31/573021131.db2.gz DXWNKTIIJITSKB-VIFPVBQESA-N 0 0 186.251 1.801 10 0 ADAERN C[C@H]1Cc2cccc(C[NH3+])c2N1C 258229601 573021141 /nfs/dbraw/zinc/02/11/41/573021141.db2.gz WKVCGGSDZNKUCT-QMMMGPOBSA-N 0 0 176.263 1.526 10 0 ADAERN C[C@H](N(C)c1n[nH]c(N)n1)C(C)(C)C 85419980 573021146 /nfs/dbraw/zinc/02/11/46/573021146.db2.gz HTGSHGKTMUJHRY-LURJTMIESA-N 0 0 197.286 1.258 10 0 ADAERN CC1=C[C@H](O)CC(C)(C)O1 238253775 573021156 /nfs/dbraw/zinc/02/11/56/573021156.db2.gz CTYWUVZSGLUZEK-ZETCQYMHSA-N 0 0 142.198 1.450 10 0 ADAERN CN1C[C@H](c2ccncc2)N(C)C1=O 259595766 573021160 /nfs/dbraw/zinc/02/11/60/573021160.db2.gz WLOZJYWGUIHNPX-SECBINFHSA-N 0 0 191.234 1.120 10 0 ADAERN COC(=O)[C@H](C)c1ccc(N(C)C)[nH]1 259595517 573021167 /nfs/dbraw/zinc/02/11/67/573021167.db2.gz GGBCDATYXWBHHX-SSDOTTSWSA-N 0 0 196.250 1.357 10 0 ADAERN OC(O)c1nc2ccccc2s1 45237506 573021179 /nfs/dbraw/zinc/02/11/79/573021179.db2.gz YLCSVBJEMCFREP-UHFFFAOYSA-N 0 0 181.216 1.280 10 0 ADAERN CC[C@@H](O)CCc1cnccc1OC 308482933 573021181 /nfs/dbraw/zinc/02/11/81/573021181.db2.gz NHLWBVVBVHKTSV-SNVBAGLBSA-N 0 0 195.262 1.794 10 0 ADAERN Cc1nc(C(=O)[O-])c2cccc(O)n12 258229249 573021217 /nfs/dbraw/zinc/02/12/17/573021217.db2.gz KVQBUWSCQSQIHE-UHFFFAOYSA-N 0 0 192.174 1.047 10 0 ADAERN COCCCOC(=O)C1(F)CCC1 308484410 573021268 /nfs/dbraw/zinc/02/12/68/573021268.db2.gz OOHOQNQWQBSNIL-UHFFFAOYSA-N 0 0 190.214 1.458 10 0 ADAERN C=C/C=C1\CCC(=O)N1C 113690220 573021276 /nfs/dbraw/zinc/02/12/76/573021276.db2.gz IVAKJCVZZASMBX-QPJJXVBHSA-N 0 0 137.182 1.309 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@H]1C 82403824 573021298 /nfs/dbraw/zinc/02/12/98/573021298.db2.gz GACITNWTGVFLTH-KYNVUQBWSA-N 0 0 139.198 1.087 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@H](CC1CC1)C(=O)[O-] 308483910 573021308 /nfs/dbraw/zinc/02/13/08/573021308.db2.gz NXHSFVUCOBSTOQ-WCBMZHEXSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CCC[N@H+](C)C1 82400528 573021313 /nfs/dbraw/zinc/02/13/13/573021313.db2.gz SVIGSQBPAOUJQG-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN CCN(O)C(=O)NC1CCCCC1 238253633 573021330 /nfs/dbraw/zinc/02/13/30/573021330.db2.gz ZKFFFFRTYKIPOI-UHFFFAOYSA-N 0 0 186.255 1.740 10 0 ADAERN Cc1ccc2c(c1)[C@](C)(N)C(=O)O2 113689910 573021346 /nfs/dbraw/zinc/02/13/46/573021346.db2.gz KAEBMGSYQMQCOU-JTQLQIEISA-N 0 0 177.203 1.088 10 0 ADAERN CCCc1nc2ncccc2c(=O)[nH]1 238254150 573021372 /nfs/dbraw/zinc/02/13/72/573021372.db2.gz ICWDTRKHRKHUJD-UHFFFAOYSA-N 0 0 189.218 1.271 10 0 ADAERN Cc1ccc2nc(C)n(O)c2c1 45238441 573021373 /nfs/dbraw/zinc/02/13/73/573021373.db2.gz VEVRNZLPBXGTNG-UHFFFAOYSA-N 0 0 162.192 1.890 10 0 ADAERN CC1=C[C@H](O)C(C)(C)C1 238253655 573021401 /nfs/dbraw/zinc/02/14/01/573021401.db2.gz NVUPTTJEJBCTMZ-ZETCQYMHSA-N 0 0 126.199 1.724 10 0 ADAERN Nc1ccc(-c2ccc(O)cc2)[nH]1 258229402 573021417 /nfs/dbraw/zinc/02/14/17/573021417.db2.gz YKCBSUPUGBGPMU-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@H](CC1CC1)C(=O)[O-] 308483908 573021492 /nfs/dbraw/zinc/02/14/92/573021492.db2.gz NXHSFVUCOBSTOQ-PSASIEDQSA-N 0 0 197.278 1.724 10 0 ADAERN CCN(OC)C(=O)[C@@H]1CCC[C@H]1C 308227211 573021494 /nfs/dbraw/zinc/02/14/94/573021494.db2.gz NJBFSIKUJVTPLK-RKDXNWHRSA-N 0 0 185.267 1.833 10 0 ADAERN Oc1cccc2c1N[C@@H]1C[C@H]21 257924356 573021500 /nfs/dbraw/zinc/02/15/00/573021500.db2.gz ODZAYJYBRXIKSX-RNFRBKRXSA-N 0 0 147.177 1.674 10 0 ADAERN CCOC(=O)N1CCCO[C@H](C)C1 82393659 573021514 /nfs/dbraw/zinc/02/15/14/573021514.db2.gz DWXRICHXXRMKPO-MRVPVSSYSA-N 0 0 187.239 1.254 10 0 ADAERN C[C@H]1Cc2c(N)ccc(O)c2O1 113681347 573021634 /nfs/dbraw/zinc/02/16/34/573021634.db2.gz WZKBWAMAIFEPOJ-YFKPBYRVSA-N 0 0 165.192 1.298 10 0 ADAERN CCCC(=O)O[C@H]1C[C@@H](C)OC1=O 308226734 573021649 /nfs/dbraw/zinc/02/16/49/573021649.db2.gz NEWFOMHHELVBLR-RQJHMYQMSA-N 0 0 186.207 1.034 10 0 ADAERN CSC[C@@H](O)C1CCSCC1 258227060 573021651 /nfs/dbraw/zinc/02/16/51/573021651.db2.gz RBXJGXUFSUWTDN-MRVPVSSYSA-N 0 0 192.349 1.854 10 0 ADAERN C[C@@H]1C(=O)Nc2ccccc2[C@@H]1O 141706641 573021667 /nfs/dbraw/zinc/02/16/67/573021667.db2.gz FAYNZGSEDALRNM-IMTBSYHQSA-N 0 0 177.203 1.308 10 0 ADAERN O=Cc1ccncc1-c1cnco1 82399522 573021680 /nfs/dbraw/zinc/02/16/80/573021680.db2.gz QZRBIAFJVNATMV-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN Cc1c(N)cc(Cl)cc1N 113686706 573021683 /nfs/dbraw/zinc/02/16/83/573021683.db2.gz LXPNVRXYGYRMOO-UHFFFAOYSA-N 0 0 156.616 1.813 10 0 ADAERN C[C@@H]1C[C@@H](O)c2cc(N)ccc21 113685602 573021709 /nfs/dbraw/zinc/02/17/09/573021709.db2.gz ZUDPIPMPRIJTBM-LHLIQPBNSA-N 0 0 163.220 1.809 10 0 ADAERN CC[C@H](C)C(O)=CC(=O)COC 379337140 573022204 /nfs/dbraw/zinc/02/22/04/573022204.db2.gz VROLOGGJRXPNCA-ZETCQYMHSA-N 0 0 172.224 1.207 10 0 ADAERN OCCCC1CCC(O)CC1 113701290 573021761 /nfs/dbraw/zinc/02/17/61/573021761.db2.gz TWLRXQFUSQUXSC-UHFFFAOYSA-N 0 0 158.241 1.310 10 0 ADAERN CCNc1cncc(N[C@H]2C[C@@H]2C)n1 82403731 573021776 /nfs/dbraw/zinc/02/17/76/573021776.db2.gz ISGRHQMQSYOMKT-YUMQZZPRSA-N 0 0 192.266 1.729 10 0 ADAERN CCCCCCOCO 113698195 573021779 /nfs/dbraw/zinc/02/17/79/573021779.db2.gz VUDAMXRSWQPCDR-UHFFFAOYSA-N 0 0 132.203 1.533 10 0 ADAERN CCCC(=O)O[C@@H]1C[C@@H](C)OC1=O 308226732 573021795 /nfs/dbraw/zinc/02/17/95/573021795.db2.gz NEWFOMHHELVBLR-RNFRBKRXSA-N 0 0 186.207 1.034 10 0 ADAERN CCC[C@@H](C)Cn1nncc1CO 308232330 573021801 /nfs/dbraw/zinc/02/18/01/573021801.db2.gz UBRJSFMREVVJDB-MRVPVSSYSA-N 0 0 183.255 1.207 10 0 ADAERN CC[C@@H](C)C(O)=CC(=O)COC 379337139 573021841 /nfs/dbraw/zinc/02/18/41/573021841.db2.gz VROLOGGJRXPNCA-SSDOTTSWSA-N 0 0 172.224 1.207 10 0 ADAERN Cc1cnc(N2CCC[C@@H]2C)c(N)c1 85425396 573021851 /nfs/dbraw/zinc/02/18/51/573021851.db2.gz PAQPOMMRRUBWFA-VIFPVBQESA-N 0 0 191.278 1.961 10 0 ADAERN CC(C)CCOC(=O)[C@H](N)CC1CC1 308485087 573021853 /nfs/dbraw/zinc/02/18/53/573021853.db2.gz OLDDYDMBKRPGCP-SNVBAGLBSA-N 0 0 199.294 1.703 10 0 ADAERN Oc1ccc2[nH]c(Cl)nc2c1 45238547 573022206 /nfs/dbraw/zinc/02/22/06/573022206.db2.gz HJRBXFFANXXCBU-UHFFFAOYSA-N 0 0 168.583 1.922 10 0 ADAERN CC[C@H](C)C[C@H](C(=O)OC)[C@@H](C)O 308226617 573021861 /nfs/dbraw/zinc/02/18/61/573021861.db2.gz QZZJTSKTQOMYNI-YIZRAAEISA-N 0 0 188.267 1.593 10 0 ADAERN C[C@H]1C[C@@H]1[N-]C(=O)C(F)(F)F 82403811 573021902 /nfs/dbraw/zinc/02/19/02/573021902.db2.gz XUBFFBHZXCEYDD-IMJSIDKUSA-N 0 0 167.130 1.073 10 0 ADAERN Cc1cnc(-n2ccc(C)n2)c(N)c1 85426300 573021922 /nfs/dbraw/zinc/02/19/22/573021922.db2.gz LAPUCUXYPYMCFY-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](c2ccoc2)[NH2+]1 104575257 573021937 /nfs/dbraw/zinc/02/19/37/573021937.db2.gz PNNROOCRSYRXOS-JGVFFNPUSA-N 0 0 181.191 1.157 10 0 ADAERN Cc1nn[nH]c1-c1cccc(N)c1 113689481 573021969 /nfs/dbraw/zinc/02/19/69/573021969.db2.gz WGLWIKQRSXAJRZ-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CC1=C[C@H]([C@H](O)C(C)(C)C)OC1=O 238254462 573021983 /nfs/dbraw/zinc/02/19/83/573021983.db2.gz ZWTYBIHCBFMDTD-SFYZADRCSA-N 0 0 184.235 1.265 10 0 ADAERN C[C@H]1CCCCN1c1nc(N)ns1 85437837 573021989 /nfs/dbraw/zinc/02/19/89/573021989.db2.gz UYFWJJDJLCXQME-LURJTMIESA-N 0 0 198.295 1.499 10 0 ADAERN COC(=O)[C@H](C)N[C@H](C)C(F)(F)F 308483061 573021993 /nfs/dbraw/zinc/02/19/93/573021993.db2.gz OAZQIFCTLXKNMT-CRCLSJGQSA-N 0 0 199.172 1.088 10 0 ADAERN COCC(=O)OCC1(C)CCCC1 308484117 573021996 /nfs/dbraw/zinc/02/19/96/573021996.db2.gz OHUZOFXRUVDKSL-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])[C@]1(C)CC1(C)C 717056278 573022023 /nfs/dbraw/zinc/02/20/23/573022023.db2.gz BDFJLCRYGAUWEL-HQJQHLMTSA-N 0 0 199.294 1.861 10 0 ADAERN CC(C)(F)C(=O)COC(=O)C1CC1 308226632 573022030 /nfs/dbraw/zinc/02/20/30/573022030.db2.gz DZAAJKMBWALACS-UHFFFAOYSA-N 0 0 188.198 1.257 10 0 ADAERN COC[C@@](C)(O)c1cnccc1C 85440155 573022035 /nfs/dbraw/zinc/02/20/35/573022035.db2.gz FNQVJSAJWKIVTC-SNVBAGLBSA-N 0 0 181.235 1.244 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)OCc1cscn1 308226133 573022036 /nfs/dbraw/zinc/02/20/36/573022036.db2.gz DSZXYTJQXYEEGN-SVRRBLITSA-N 0 0 197.259 1.842 10 0 ADAERN COC(=O)[C@@H](C)N[C@@H](C)C(F)(F)F 308483068 573022041 /nfs/dbraw/zinc/02/20/41/573022041.db2.gz OAZQIFCTLXKNMT-UHNVWZDZSA-N 0 0 199.172 1.088 10 0 ADAERN C[C@H]1CCCN(c2nc(N)ns2)C1 85437850 573022045 /nfs/dbraw/zinc/02/20/45/573022045.db2.gz FAUUTTXJXWWZPF-LURJTMIESA-N 0 0 198.295 1.357 10 0 ADAERN CCNc1nc(Br)co1 257924276 573022050 /nfs/dbraw/zinc/02/20/50/573022050.db2.gz RUIAXFDRNHSMNK-UHFFFAOYSA-N 0 0 191.028 1.869 10 0 ADAERN CSc1ncc(C)cc1N 85426679 573022065 /nfs/dbraw/zinc/02/20/65/573022065.db2.gz WQVIPIVROHKNPF-UHFFFAOYSA-N 0 0 154.238 1.694 10 0 ADAERN CC1=C[C@H]2O[C@]1(CO)c1ccccc12 238255457 573022094 /nfs/dbraw/zinc/02/20/94/573022094.db2.gz ODSROEHLPXGDNQ-NEPJUHHUSA-N 0 0 188.226 1.905 10 0 ADAERN Cn1c(C=O)cnc1C1(C)CC1 141732106 573022113 /nfs/dbraw/zinc/02/21/13/573022113.db2.gz NZXSVUQHMLNFSE-UHFFFAOYSA-N 0 0 164.208 1.284 10 0 ADAERN Cc1cnc(O[C@@H]2CCOC2)c(N)c1 85426506 573022116 /nfs/dbraw/zinc/02/21/16/573022116.db2.gz VDYJMZVMRLITFD-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN CC[C@@H]1CCC[C@H]1NN 104572157 573022117 /nfs/dbraw/zinc/02/21/17/573022117.db2.gz NQILNVWDKVGMBZ-RNFRBKRXSA-N 0 0 128.219 1.028 10 0 ADAERN C[C@H]1C(=O)Nc2ccccc2[C@@H]1O 141706447 573022121 /nfs/dbraw/zinc/02/21/21/573022121.db2.gz FAYNZGSEDALRNM-HZGVNTEJSA-N 0 0 177.203 1.308 10 0 ADAERN Cc1nc(N)c2c(n1)CSC2 82402398 573022128 /nfs/dbraw/zinc/02/21/28/573022128.db2.gz BSBUVYJIRPICPP-UHFFFAOYSA-N 0 0 167.237 1.114 10 0 ADAERN Cc1ncc(C=O)n1C1CC1 141731300 573022134 /nfs/dbraw/zinc/02/21/34/573022134.db2.gz MUVASAYGARRXRU-UHFFFAOYSA-N 0 0 150.181 1.339 10 0 ADAERN C[C@@H]1C[C@H](O)c2cc(N)ccc21 113685598 573022141 /nfs/dbraw/zinc/02/21/41/573022141.db2.gz ZUDPIPMPRIJTBM-LDWIPMOCSA-N 0 0 163.220 1.809 10 0 ADAERN CC1=Nc2ccccc2S1(=O)=O 45237316 573022169 /nfs/dbraw/zinc/02/21/69/573022169.db2.gz RORQACDEPMUHLO-UHFFFAOYSA-N 0 0 181.216 1.524 10 0 ADAERN CCNc1cccc(CO)c1CO 238254539 573022180 /nfs/dbraw/zinc/02/21/80/573022180.db2.gz CMDFTXMKCNJIRX-UHFFFAOYSA-N 0 0 181.235 1.103 10 0 ADAERN CCOC1=C[C@@H](O)C1(C)C 238254678 573022190 /nfs/dbraw/zinc/02/21/90/573022190.db2.gz GKGCHNCWIVVRLV-ZCFIWIBFSA-N 0 0 142.198 1.308 10 0 ADAERN CC/C=C\C(=O)NCCCCCO 308226657 573022195 /nfs/dbraw/zinc/02/21/95/573022195.db2.gz NCGPRVFTFHOPCN-CLTKARDFSA-N 0 0 185.267 1.231 10 0 ADAERN C[C@H]1CC(=O)c2cc(N)ccc21 113685594 573022199 /nfs/dbraw/zinc/02/21/99/573022199.db2.gz AWNNFCBQPUOJGM-LURJTMIESA-N 0 0 161.204 1.959 10 0 ADAERN CCC1([C@@H](NN)c2cncnc2)CC1 308483983 573022258 /nfs/dbraw/zinc/02/22/58/573022258.db2.gz IEYYKCMIVXARTI-VIFPVBQESA-N 0 0 192.266 1.171 10 0 ADAERN Oc1ccc(C2(F)CNC2)cc1 258473234 573022261 /nfs/dbraw/zinc/02/22/61/573022261.db2.gz INZYAFPYSPCYRI-UHFFFAOYSA-N 0 0 167.183 1.160 10 0 ADAERN COC(=O)/C=C/CC[C@@H]1C[C@@H]1CO 308227209 573022267 /nfs/dbraw/zinc/02/22/67/573022267.db2.gz RBYCERQFGDCLAZ-ZZDZINKYSA-N 0 0 184.235 1.124 10 0 ADAERN C[C@@H]([NH2+]CCCF)c1cncnc1 308226167 573022311 /nfs/dbraw/zinc/02/23/11/573022311.db2.gz DTRRSENHFMXBPU-MRVPVSSYSA-N 0 0 183.230 1.487 10 0 ADAERN C=Cc1cccc([C@@H]([NH3+])C(=O)[O-])c1 104573751 573022314 /nfs/dbraw/zinc/02/23/14/573022314.db2.gz ZKFJARQTACPBMG-SECBINFHSA-N 0 0 177.203 1.414 10 0 ADAERN Cc1cccc2c1NCCC(=O)N2 82398722 573022323 /nfs/dbraw/zinc/02/23/23/573022323.db2.gz YKLXJJCKPFOCKL-UHFFFAOYSA-N 0 0 176.219 1.749 10 0 ADAERN C[C@H](Nc1nc(N)ns1)C1CC1 85427678 573022331 /nfs/dbraw/zinc/02/23/31/573022331.db2.gz GTLSXDRDVPIIOD-BYPYZUCNSA-N 0 0 184.268 1.331 10 0 ADAERN CC[C@H](C)C[C@@H](C(=O)OC)[C@H](C)O 308226613 573022332 /nfs/dbraw/zinc/02/23/32/573022332.db2.gz QZZJTSKTQOMYNI-XHNCKOQMSA-N 0 0 188.267 1.593 10 0 ADAERN Cc1cnc(-n2cccn2)c(N)c1 85426271 573022342 /nfs/dbraw/zinc/02/23/42/573022342.db2.gz SNCUULXTEMZOLQ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CN[C@H](c1c[nH]cn1)C(F)(F)F 104574465 573022344 /nfs/dbraw/zinc/02/23/44/573022344.db2.gz NZWAIEUMWUDOIF-RXMQYKEDSA-N 0 0 179.145 1.233 10 0 ADAERN COC1CC([C@@H](O)C(C)(C)C)C1 642826773 573022346 /nfs/dbraw/zinc/02/23/46/573022346.db2.gz VXUFVCCOUFQRMH-AMDVSUOASA-N 0 0 172.268 1.818 10 0 ADAERN CCC[C@@H](O)CC1(C)OCCO1 238254881 573022358 /nfs/dbraw/zinc/02/23/58/573022358.db2.gz VEIKPSUDQFNUNE-MRVPVSSYSA-N 0 0 174.240 1.301 10 0 ADAERN CCN(c1nc(N)ns1)C1CC1 85437901 573022383 /nfs/dbraw/zinc/02/23/83/573022383.db2.gz XJQACWBDZJWLDQ-UHFFFAOYSA-N 0 0 184.268 1.109 10 0 ADAERN Cc1ccc2c(c1)NCCC(=O)N2 82398721 573022402 /nfs/dbraw/zinc/02/24/02/573022402.db2.gz HOGQSKBTNPUBCT-UHFFFAOYSA-N 0 0 176.219 1.749 10 0 ADAERN CC1=Nc2ccccc2N[C@H]1CO 113681422 573022663 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184.189 1.827 10 0 ADAERN C[C@H](O)[C@H]1Cc2cc(F)ccc2O1 257924533 573024216 /nfs/dbraw/zinc/02/42/16/573024216.db2.gz CGYSFQDSPBHAJM-QUBYGPBYSA-N 0 0 182.194 1.510 10 0 ADAERN CC1CN(c2ccc(CO)cc2)C1 123451038 573024324 /nfs/dbraw/zinc/02/43/24/573024324.db2.gz GBEJDFWBAMSMGA-UHFFFAOYSA-N 0 0 177.247 1.635 10 0 ADAERN CONCc1cc(C)cc(F)c1OC 258226880 573024220 /nfs/dbraw/zinc/02/42/20/573024220.db2.gz VOFKBJMUNHFWAJ-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN CCCO[P@@](C)(=O)CCC(N)=O 238254235 573024221 /nfs/dbraw/zinc/02/42/21/573024221.db2.gz HXGMGNNQBRAZMV-GFCCVEGCSA-N 0 0 193.183 1.196 10 0 ADAERN CCOC(=O)N[C@@H]1C[C@@H]1C 82400136 573024228 /nfs/dbraw/zinc/02/42/28/573024228.db2.gz JSNYKUNXONNMFB-NTSWFWBYSA-N 0 0 143.186 1.141 10 0 ADAERN CC[C@H](O)/C=C\[C@H](C)[C@@H](O)C(C)C 308229603 573024325 /nfs/dbraw/zinc/02/43/25/573024325.db2.gz SGJAVLOMULRDAB-ILZRGQEZSA-N 0 0 186.295 1.967 10 0 ADAERN CN[C@H]1C[C@@H](c2ccccc2)OC1=O 113689984 573024291 /nfs/dbraw/zinc/02/42/91/573024291.db2.gz ZQJFYADSTIKJRP-UWVGGRQHSA-N 0 0 191.230 1.263 10 0 ADAERN OCOC1CCCCC1 113698321 573024349 /nfs/dbraw/zinc/02/43/49/573024349.db2.gz SYURDIMLAMCASE-UHFFFAOYSA-N 0 0 130.187 1.286 10 0 ADAERN C[C@@H]1C=C(C(=O)[O-])[C@H]2CCC[N@H+]2C1 113689561 573024357 /nfs/dbraw/zinc/02/43/57/573024357.db2.gz PULSCSWWEDPNPA-VXNVDRBHSA-N 0 0 181.235 1.112 10 0 ADAERN Cc1cnc(-n2ccnc2)c(N)c1 85426267 573024456 /nfs/dbraw/zinc/02/44/56/573024456.db2.gz LRVHTIUASPRRLB-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccc2c(ncn2N)c1C 45238486 573024400 /nfs/dbraw/zinc/02/44/00/573024400.db2.gz AKTVVGLRVVOUAA-UHFFFAOYSA-N 0 0 161.208 1.367 10 0 ADAERN C[C@@H]1CC(=O)c2cc(N)ccc21 113685592 573024441 /nfs/dbraw/zinc/02/44/41/573024441.db2.gz AWNNFCBQPUOJGM-ZCFIWIBFSA-N 0 0 161.204 1.959 10 0 ADAERN CCNC(=O)[C@]1(Cl)CCC[C@@H]1C 238255840 573024447 /nfs/dbraw/zinc/02/44/47/573024447.db2.gz NNJWLCAUJKQRLW-CBAPKCEASA-N 0 0 189.686 1.920 10 0 ADAERN CC[C@@H](C)OCn1ccc(=O)c(C)c1 308479075 573024466 /nfs/dbraw/zinc/02/44/66/573024466.db2.gz FWMLXNVMKFBNSX-SNVBAGLBSA-N 0 0 195.262 1.929 10 0 ADAERN CCOC1=NCCCCC1=O 238255185 573024474 /nfs/dbraw/zinc/02/44/74/573024474.db2.gz UPLRUZAKDXFBCA-UHFFFAOYSA-N 0 0 155.197 1.174 10 0 ADAERN CC1=CC(=O)N[C@]2(C3CC3)CC[C@H]12 238254873 573024527 /nfs/dbraw/zinc/02/45/27/573024527.db2.gz IUMKORRWTWLRCR-KOLCDFICSA-N 0 0 177.247 1.621 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1nc(N)ns1 85438084 573024567 /nfs/dbraw/zinc/02/45/67/573024567.db2.gz RXBLDWCZGOFOBH-RITPCOANSA-N 0 0 198.295 1.213 10 0 ADAERN CC[C@@H](C(=O)COC)C(=O)C1CC1 379371738 573024572 /nfs/dbraw/zinc/02/45/72/573024572.db2.gz UCMRWGUWVCGFRM-QMMMGPOBSA-N 0 0 184.235 1.207 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)CCC(F)F 308478744 573024585 /nfs/dbraw/zinc/02/45/85/573024585.db2.gz MPQZSSCOHBTJPM-BQBZGAKWSA-N 0 0 191.221 1.946 10 0 ADAERN CC1=C[C@@H]2C(=O)CCC(=O)[C@H]12 238255650 573025196 /nfs/dbraw/zinc/02/51/96/573025196.db2.gz AOOCCUGOZFXFJB-HZGVNTEJSA-N 0 0 150.177 1.111 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@@H]1C 82403822 573025211 /nfs/dbraw/zinc/02/52/11/573025211.db2.gz GACITNWTGVFLTH-HKFDCFJWSA-N 0 0 139.198 1.087 10 0 ADAERN CC1=C[C@H](O)[C@](C)(CO)CC1 238254345 573025235 /nfs/dbraw/zinc/02/52/35/573025235.db2.gz OWKGPUZWYRUHKO-IUCAKERBSA-N 0 0 156.225 1.086 10 0 ADAERN CCC[C@H](O)[C@@H](CCC)C(=O)OC 308229853 573025242 /nfs/dbraw/zinc/02/52/42/573025242.db2.gz SJMJCDMHHVUFIW-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN C[C@H]1C[C@H](O)c2cc(N)ccc21 113685601 573025255 /nfs/dbraw/zinc/02/52/55/573025255.db2.gz ZUDPIPMPRIJTBM-WKEGUHRASA-N 0 0 163.220 1.809 10 0 ADAERN COC[C@@H](C)[C@@H](CO)C(C)(C)C 128488429 573025272 /nfs/dbraw/zinc/02/52/72/573025272.db2.gz BYSSZBBXHDYWDL-RKDXNWHRSA-N 0 0 174.284 1.924 10 0 ADAERN CCCC(=O)OC[C@H]1CCOCO1 308227560 573025275 /nfs/dbraw/zinc/02/52/75/573025275.db2.gz NOCVJAWBCBUUGG-MRVPVSSYSA-N 0 0 188.223 1.093 10 0 ADAERN Nc1nsc(NCc2ccco2)n1 85427419 573025307 /nfs/dbraw/zinc/02/53/07/573025307.db2.gz MENBLYBVYIOVRU-UHFFFAOYSA-N 0 0 196.235 1.325 10 0 ADAERN C/C=C(/C)[C@H](O)/C=C/C 141737326 573025341 /nfs/dbraw/zinc/02/53/41/573025341.db2.gz VDDMHVVWDJSATF-SPRGYONBSA-N 0 0 126.199 1.890 10 0 ADAERN Cn1c(C=O)nc2cc(F)ccc21 82397980 573025349 /nfs/dbraw/zinc/02/53/49/573025349.db2.gz OMNSOHIJXAYQPS-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cc1cccc(C(=O)[O-])c1[C@H](C)[NH3+] 104576069 573025359 /nfs/dbraw/zinc/02/53/59/573025359.db2.gz SRZQHFMOJZHMRZ-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN Cc1nc(C(C)(C)[NH3+])c(C)s1 82400797 573025360 /nfs/dbraw/zinc/02/53/60/573025360.db2.gz LETJBDTUEIBUIY-UHFFFAOYSA-N 0 0 170.281 1.954 10 0 ADAERN COC[C@](C)(O)c1cnccc1C 85440157 573025368 /nfs/dbraw/zinc/02/53/68/573025368.db2.gz FNQVJSAJWKIVTC-JTQLQIEISA-N 0 0 181.235 1.244 10 0 ADAERN CCNc1nc(=N)ss1 238256732 573029564 /nfs/dbraw/zinc/02/95/64/573029564.db2.gz TYGHDRJKZMPDRU-UHFFFAOYSA-N 0 0 161.255 1.116 10 0 ADAERN CCCC[C@]1(C)C(=O)COC1=O 238254892 573025375 /nfs/dbraw/zinc/02/53/75/573025375.db2.gz CYVCVEZSIQSHRW-SECBINFHSA-N 0 0 170.208 1.309 10 0 ADAERN CCOC1=NCCCc2c1ccn2C 238255247 573025398 /nfs/dbraw/zinc/02/53/98/573025398.db2.gz XCFRDEQFAFOCTH-UHFFFAOYSA-N 0 0 192.262 1.754 10 0 ADAERN CN[C@H]1C[C@H](c2ccccc2)OC1=O 113689980 573025408 /nfs/dbraw/zinc/02/54/08/573025408.db2.gz ZQJFYADSTIKJRP-VHSXEESVSA-N 0 0 191.230 1.263 10 0 ADAERN C[C@@H](O)C1CC=CC1 113874387 573036883 /nfs/dbraw/zinc/03/68/83/573036883.db2.gz QXYLHVUZZADDEQ-ZCFIWIBFSA-N 0 0 112.172 1.333 10 0 ADAERN Cc1c[nH]c2cc(=NN)c(F)cc-2n1 104572042 573025473 /nfs/dbraw/zinc/02/54/73/573025473.db2.gz MZZBUPBIEJYFFD-UHFFFAOYSA-N 0 0 192.197 1.363 10 0 ADAERN Cc1nc2cc(N)cc(N)c2o1 113686788 573025474 /nfs/dbraw/zinc/02/54/74/573025474.db2.gz BJGIDWJHTRZUPE-UHFFFAOYSA-N 0 0 163.180 1.301 10 0 ADAERN C[C@@H]([NH3+])Cc1ccsc1C(=O)[O-] 141739660 573025507 /nfs/dbraw/zinc/02/55/07/573025507.db2.gz ARDYLVNAMWXYSV-RXMQYKEDSA-N 0 0 185.248 1.336 10 0 ADAERN C[C@H]1C=C(C(=O)[O-])[C@H]2CCCC[N@H+]2C1 113689565 573025511 /nfs/dbraw/zinc/02/55/11/573025511.db2.gz HZAJGABEFTYBDW-WCBMZHEXSA-N 0 0 195.262 1.502 10 0 ADAERN COCCCC[C@H](O)c1cn[nH]c1 379361069 573025520 /nfs/dbraw/zinc/02/55/20/573025520.db2.gz BYDADBXAPPUGMP-VIFPVBQESA-N 0 0 184.239 1.260 10 0 ADAERN CCC1([C@H](Cc2ccco2)NN)CC1 308476695 573025526 /nfs/dbraw/zinc/02/55/26/573025526.db2.gz DXWRCDQCUAROHQ-JTQLQIEISA-N 0 0 194.278 1.844 10 0 ADAERN Cc1cccc(C(=O)[O-])c1[C@@H](C)[NH3+] 104576067 573025527 /nfs/dbraw/zinc/02/55/27/573025527.db2.gz SRZQHFMOJZHMRZ-SSDOTTSWSA-N 0 0 179.219 1.713 10 0 ADAERN CC(C)CNc1nc(N)ns1 85427429 573025532 /nfs/dbraw/zinc/02/55/32/573025532.db2.gz FVOHFAQZVCYDIX-UHFFFAOYSA-N 0 0 172.257 1.188 10 0 ADAERN CC[C@H](C)N(CCO)C(=O)C1CCC1 308477074 573025534 /nfs/dbraw/zinc/02/55/34/573025534.db2.gz FCJSLDBOVFGOHI-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN C[C@@H](CCO)NCC(F)(F)C1CC1 308228054 573025538 /nfs/dbraw/zinc/02/55/38/573025538.db2.gz FPYGXZGUUMKHDE-ZETCQYMHSA-N 0 0 193.237 1.392 10 0 ADAERN CCCOc1cc(=O)[nH]c(=S)[nH]1 238255690 573025552 /nfs/dbraw/zinc/02/55/52/573025552.db2.gz LEOHOWLRBCMISH-UHFFFAOYSA-N 0 0 186.236 1.221 10 0 ADAERN Cc1ccncc1[C@@H](O)[C@H]1CCOC1 85440311 573025565 /nfs/dbraw/zinc/02/55/65/573025565.db2.gz RHECDFQRUIFWOC-ONGXEEELSA-N 0 0 193.246 1.460 10 0 ADAERN CC1CCN(c2nc(N)ns2)CC1 85437829 573025573 /nfs/dbraw/zinc/02/55/73/573025573.db2.gz ZMMLZYMNQIBICM-UHFFFAOYSA-N 0 0 198.295 1.357 10 0 ADAERN CC1(C)Nc2cc[nH+]cc2NC1=O 82398358 573025578 /nfs/dbraw/zinc/02/55/78/573025578.db2.gz BGVQOAWCFQUPSE-UHFFFAOYSA-N 0 0 177.207 1.224 10 0 ADAERN CC1(C)NC(=O)C(=C(Cl)Cl)O1 238255880 573025604 /nfs/dbraw/zinc/02/56/04/573025604.db2.gz UVRLXDHHWBNIHO-UHFFFAOYSA-N 0 0 196.033 1.516 10 0 ADAERN CCCC[C@]1(C)CN=NC1=N 238255000 573025651 /nfs/dbraw/zinc/02/56/51/573025651.db2.gz QCLHIBLMFBZNOL-MRVPVSSYSA-N 0 0 153.229 1.540 10 0 ADAERN CC1=CC(=O)Nc2ccccc2[C@H]1O 238255005 573025660 /nfs/dbraw/zinc/02/56/60/573025660.db2.gz WNXUOMAOQZFFEV-NSHDSACASA-N 0 0 189.214 1.618 10 0 ADAERN Cc1cc([C@](C)([NH3+])C(=O)[O-])c(C)o1 104574085 573025695 /nfs/dbraw/zinc/02/56/95/573025695.db2.gz RKLVCTBOGXCWPR-VIFPVBQESA-N 0 0 183.207 1.155 10 0 ADAERN CC1(C)CCCN1c1nc(N)ns1 85438025 573025704 /nfs/dbraw/zinc/02/57/04/573025704.db2.gz VLYPONJMMYCNDR-UHFFFAOYSA-N 0 0 198.295 1.499 10 0 ADAERN C=Cc1ccc(C(=O)NCO)cc1 113700998 573025705 /nfs/dbraw/zinc/02/57/05/573025705.db2.gz JAFWPMOKZQEYBT-UHFFFAOYSA-N 0 0 177.203 1.009 10 0 ADAERN CC1(C)C[C@]2(CO)C[C@H]12 238254455 573026035 /nfs/dbraw/zinc/02/60/35/573026035.db2.gz OUEKYBIGUFFJGF-SVRRBLITSA-N 0 0 126.199 1.415 10 0 ADAERN Cc1cccc2nc(C=O)n(C)c12 82399459 573025721 /nfs/dbraw/zinc/02/57/21/573025721.db2.gz VXBAJYBGDLSILM-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN C[C@@H]1[C@@H]([NH3+])CC[C@H](C(=O)[O-])C1(C)C 113685484 573025747 /nfs/dbraw/zinc/02/57/47/573025747.db2.gz CPBJINDRTMKJPR-PRJMDXOYSA-N 0 0 185.267 1.471 10 0 ADAERN Nc1nsc(N[C@H]2CC=CCC2)n1 85437279 573025756 /nfs/dbraw/zinc/02/57/56/573025756.db2.gz SIAUFCSKNPFCOK-LURJTMIESA-N 0 0 196.279 1.641 10 0 ADAERN C[C@@H]1C[C@]12CCc1ncc(C=O)n12 141742386 573025757 /nfs/dbraw/zinc/02/57/57/573025757.db2.gz PKSFQDSXJPJBJX-GMSGAONNSA-N 0 0 176.219 1.377 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cc(Cl)nc(N)n1 82403751 573025765 /nfs/dbraw/zinc/02/57/65/573025765.db2.gz ZKOSQCDQHNJFGM-UHNVWZDZSA-N 0 0 198.657 1.533 10 0 ADAERN CO[C@@H](C1CC1)[C@H](O)c1ccc[nH]1 308229162 573026036 /nfs/dbraw/zinc/02/60/36/573026036.db2.gz SFEHCEONCFSMDJ-ZJUUUORDSA-N 0 0 181.235 1.473 10 0 ADAERN CC1=CC(=O)N[C@@]2(C3CC3)CC[C@H]12 238254583 573025768 /nfs/dbraw/zinc/02/57/68/573025768.db2.gz IUMKORRWTWLRCR-MWLCHTKSSA-N 0 0 177.247 1.621 10 0 ADAERN NOC[C@@H]1Cc2cc(F)ccc2N1 258227363 573025774 /nfs/dbraw/zinc/02/57/74/573025774.db2.gz WEFPCZAIHZUICI-QMMMGPOBSA-N 0 0 182.198 1.053 10 0 ADAERN CO[C@@H](C1CC1)[C@@H](O)c1ccc[nH]1 308229155 573025802 /nfs/dbraw/zinc/02/58/02/573025802.db2.gz SFEHCEONCFSMDJ-UWVGGRQHSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@@H](O)C[C@H]1CC=CCCC(=O)O1 308229150 573025826 /nfs/dbraw/zinc/02/58/26/573025826.db2.gz SEZZPGYPEPDPAT-RKDXNWHRSA-N 0 0 184.235 1.409 10 0 ADAERN C[C@@H]1C[C@H]([C@H](CC2CCC2)NN)CO1 252990929 573025832 /nfs/dbraw/zinc/02/58/32/573025832.db2.gz BITPPKCLKRAJLI-MIMYLULJSA-N 0 0 198.310 1.434 10 0 ADAERN CCC(O)=CC(=O)C(F)F 113676007 573025837 /nfs/dbraw/zinc/02/58/37/573025837.db2.gz DHIMMJNBKAADDP-UHFFFAOYSA-N 0 0 150.124 1.190 10 0 ADAERN CCOC1=C[C@H](O)C1(C)C 238254860 573025838 /nfs/dbraw/zinc/02/58/38/573025838.db2.gz GKGCHNCWIVVRLV-LURJTMIESA-N 0 0 142.198 1.308 10 0 ADAERN CC(=O)Oc1ccc(O)c(F)c1 113695073 573025880 /nfs/dbraw/zinc/02/58/80/573025880.db2.gz GBSNACSIQBLRQS-UHFFFAOYSA-N 0 0 170.139 1.457 10 0 ADAERN Cc1ccncc1[C@@H](O)[C@@H]1CCOC1 85440306 573025897 /nfs/dbraw/zinc/02/58/97/573025897.db2.gz RHECDFQRUIFWOC-KOLCDFICSA-N 0 0 193.246 1.460 10 0 ADAERN CCN(CC(F)(F)F)[C@H]1C[C@@H]1CO 308228638 573025919 /nfs/dbraw/zinc/02/59/19/573025919.db2.gz NXAVKKRDFOUMAC-RQJHMYQMSA-N 0 0 197.200 1.251 10 0 ADAERN CC(C)[C@@H](C)Nc1nc(N)ns1 85427597 573025927 /nfs/dbraw/zinc/02/59/27/573025927.db2.gz CWJQDUMDBYDQEL-RXMQYKEDSA-N 0 0 186.284 1.577 10 0 ADAERN CC[C@](C)([NH2+]CCCCF)C(=O)[O-] 308229014 573025928 /nfs/dbraw/zinc/02/59/28/573025928.db2.gz SCAZUENNLKMJLQ-VIFPVBQESA-N 0 0 191.246 1.579 10 0 ADAERN CCC(C)(C)[C@H](NN)c1ccc[nH]1 308227844 573025935 /nfs/dbraw/zinc/02/59/35/573025935.db2.gz ROEGCTPZEZEUQR-SECBINFHSA-N 0 0 181.283 1.955 10 0 ADAERN CCC(CC)OCn1cc(N)cn1 379359656 573025946 /nfs/dbraw/zinc/02/59/46/573025946.db2.gz ZIAHQSVLLLDXPH-UHFFFAOYSA-N 0 0 183.255 1.628 10 0 ADAERN CCCC[C@]1(C)C[C@@H](O)OC1=O 238255134 573025948 /nfs/dbraw/zinc/02/59/48/573025948.db2.gz USPCRNHWMGJBNU-IONNQARKSA-N 0 0 172.224 1.448 10 0 ADAERN C[C@@H]1C(=O)[C@H]2C=CC[C@H]12 113685906 573025953 /nfs/dbraw/zinc/02/59/53/573025953.db2.gz ZSWSIMGZYFIGJY-XVMARJQXSA-N 0 0 122.167 1.398 10 0 ADAERN Nc1nsc(NCC2CCC2)n1 85427613 573025954 /nfs/dbraw/zinc/02/59/54/573025954.db2.gz IJITYGQVXVNLIA-UHFFFAOYSA-N 0 0 184.268 1.332 10 0 ADAERN CCOC(=O)c1cc(C)ns1 238255102 573025956 /nfs/dbraw/zinc/02/59/56/573025956.db2.gz FNJGEZFVJFEZRX-UHFFFAOYSA-N 0 0 171.221 1.628 10 0 ADAERN COCc1cccc(CNOC)c1F 258226937 573025957 /nfs/dbraw/zinc/02/59/57/573025957.db2.gz VPYLLLYCUBSMSM-UHFFFAOYSA-N 0 0 199.225 1.623 10 0 ADAERN CC1=C(c2ccc(C)cc2)CNC1=O 141737765 573025959 /nfs/dbraw/zinc/02/59/59/573025959.db2.gz GNGOLAXWUHXQEJ-UHFFFAOYSA-N 0 0 187.242 1.898 10 0 ADAERN CCC(=O)n1cc[nH]c1=S 238249118 573035198 /nfs/dbraw/zinc/03/51/98/573035198.db2.gz XKGMPAHKNHGHRO-UHFFFAOYSA-N 0 0 156.210 1.596 10 0 ADAERN COc1cc(F)cc(CCON)c1C 258226923 573025978 /nfs/dbraw/zinc/02/59/78/573025978.db2.gz VPKMJIPJHNZBNS-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN C[C@@H](O)[C@H]1Cc2cc(F)ccc2O1 257924527 573025988 /nfs/dbraw/zinc/02/59/88/573025988.db2.gz CGYSFQDSPBHAJM-LHLIQPBNSA-N 0 0 182.194 1.510 10 0 ADAERN C[C@@]12CC(=O)N[C@H]1Cc1ccccc12 198648686 573025993 /nfs/dbraw/zinc/02/59/93/573025993.db2.gz HQOUPGAYCOCDPC-JQWIXIFHSA-N 0 0 187.242 1.389 10 0 ADAERN CN[C@@H]1C[C@@H](c2ccccc2)OC1=O 113689982 573025998 /nfs/dbraw/zinc/02/59/98/573025998.db2.gz ZQJFYADSTIKJRP-ZJUUUORDSA-N 0 0 191.230 1.263 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1nc(N)ns1 85428590 573026020 /nfs/dbraw/zinc/02/60/20/573026020.db2.gz VUBHTSCENWIDSS-NTSWFWBYSA-N 0 0 198.295 1.721 10 0 ADAERN CCC[C@@H](O)c1ccc(C(=O)OC)o1 233295862 573026021 /nfs/dbraw/zinc/02/60/21/573026021.db2.gz DGXFGAWLQCMGMG-SSDOTTSWSA-N 0 0 198.218 1.900 10 0 ADAERN C[C@@H]1CCCN1c1nc(N)ns1 85437796 573026648 /nfs/dbraw/zinc/02/66/48/573026648.db2.gz SKHKSDRZZCTURH-RXMQYKEDSA-N 0 0 184.268 1.109 10 0 ADAERN Cc1cc(C)c([C@H]([NH3+])C(=O)[O-])s1 82392735 573026849 /nfs/dbraw/zinc/02/68/49/573026849.db2.gz ZAWZHNOXGGQREX-LURJTMIESA-N 0 0 185.248 1.449 10 0 ADAERN CCOC1=NC(C)(C)C(C)(C)NC1 238255090 573026357 /nfs/dbraw/zinc/02/63/57/573026357.db2.gz UZXXDHSVHGQAQN-UHFFFAOYSA-N 0 0 184.283 1.582 10 0 ADAERN CC(C)C[C@@H]1CN(C#N)C(=O)N1C 259312967 573026360 /nfs/dbraw/zinc/02/63/60/573026360.db2.gz GTHGDQAVZXUVHS-MRVPVSSYSA-N 0 0 181.239 1.250 10 0 ADAERN CC1=CC(=O)N[C@]23CCC[C@H]2C[C@@H]13 238254814 573026457 /nfs/dbraw/zinc/02/64/57/573026457.db2.gz GTYCJZZJNOIRGF-ATZCPNFKSA-N 0 0 177.247 1.621 10 0 ADAERN CCc1nc(N)cc(-c2ccco2)n1 44262625 573026490 /nfs/dbraw/zinc/02/64/90/573026490.db2.gz CGLDZQFIEHUBFK-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CC1(C)C[C@H]1Nc1nc(N)ns1 85428383 573026517 /nfs/dbraw/zinc/02/65/17/573026517.db2.gz SENXTTWEEVYCMI-SCSAIBSYSA-N 0 0 184.268 1.331 10 0 ADAERN CCC1([C@@H](Cc2ccco2)NN)CC1 308476696 573026524 /nfs/dbraw/zinc/02/65/24/573026524.db2.gz DXWRCDQCUAROHQ-SNVBAGLBSA-N 0 0 194.278 1.844 10 0 ADAERN COc1cc(F)c(C)cc1CCON 258226708 573026537 /nfs/dbraw/zinc/02/65/37/573026537.db2.gz VLAQCGWDTMLTAN-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN C[C@@H]1Cc2ccsc2C(=O)N1 141738657 573026542 /nfs/dbraw/zinc/02/65/42/573026542.db2.gz GTMRQFLFVZADBL-RXMQYKEDSA-N 0 0 167.233 1.423 10 0 ADAERN Cc1nc(CO)oc1C(C)C 258526608 573026553 /nfs/dbraw/zinc/02/65/53/573026553.db2.gz MXUYBXKYCHTBBA-UHFFFAOYSA-N 0 0 155.197 1.599 10 0 ADAERN Cc1cc(N[C@@H]2C[C@H]2C)nc(N)[nH+]1 82403778 573026889 /nfs/dbraw/zinc/02/68/89/573026889.db2.gz SNGGSDXLTADXKS-IYSWYEEDSA-N 0 0 178.239 1.188 10 0 ADAERN COC[C@H](C)[C@@H](CO)C(C)(C)C 128488220 573026572 /nfs/dbraw/zinc/02/65/72/573026572.db2.gz BYSSZBBXHDYWDL-DTWKUNHWSA-N 0 0 174.284 1.924 10 0 ADAERN CC1(C)C[C@]2(C)C[C@H]1[C@@H](O)C2=O 238254267 573026619 /nfs/dbraw/zinc/02/66/19/573026619.db2.gz VEYOTTFSEOFPQM-PJKMHFRUSA-N 0 0 168.236 1.373 10 0 ADAERN CC1(C)C[C@@H]1Nc1nc(N)ns1 85428381 573026620 /nfs/dbraw/zinc/02/66/20/573026620.db2.gz SENXTTWEEVYCMI-BYPYZUCNSA-N 0 0 184.268 1.331 10 0 ADAERN CCC[C@@H](O)CC1(CC)OCCO1 238254901 573026624 /nfs/dbraw/zinc/02/66/24/573026624.db2.gz FHHPXDVKWUYYSV-SECBINFHSA-N 0 0 188.267 1.691 10 0 ADAERN COCCCCC(=O)CCCOC 308229841 573026641 /nfs/dbraw/zinc/02/66/41/573026641.db2.gz SJCRSRVHDIKHDP-UHFFFAOYSA-N 0 0 188.267 1.799 10 0 ADAERN CCO/C=C(\C)C(=O)[C@@H]1CCOC1 379356462 573026657 /nfs/dbraw/zinc/02/66/57/573026657.db2.gz ODRYESVZLAGQAJ-BNICOGTQSA-N 0 0 184.235 1.532 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](c2ccoc2)[NH2+]1 104575265 573026703 /nfs/dbraw/zinc/02/67/03/573026703.db2.gz PNNROOCRSYRXOS-SFYZADRCSA-N 0 0 181.191 1.157 10 0 ADAERN CCOC(=O)c1cc(C)nc(=S)[nH]1 238254984 573026726 /nfs/dbraw/zinc/02/67/26/573026726.db2.gz YUOAAQUEZUGBQM-UHFFFAOYSA-N 0 0 198.247 1.250 10 0 ADAERN CN[C@H](C1=S=CN=C1C)C(F)F 642826592 573026731 /nfs/dbraw/zinc/02/67/31/573026731.db2.gz KFNNKTBTNABTTK-RXMQYKEDSA-N 0 0 192.234 1.324 10 0 ADAERN CCC[C@@H](O)[C@@H](CCC)C(=O)OC 308229861 573026744 /nfs/dbraw/zinc/02/67/44/573026744.db2.gz SJMJCDMHHVUFIW-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN C/C=C/C(=O)N[C@H]1C[C@H]1C 82403825 573026759 /nfs/dbraw/zinc/02/67/59/573026759.db2.gz GACITNWTGVFLTH-OHUBKANTSA-N 0 0 139.198 1.087 10 0 ADAERN CC[C@@H]1CCCN1c1nc(N)ns1 85437792 573026766 /nfs/dbraw/zinc/02/67/66/573026766.db2.gz KYZQGGUBVHKMAB-ZCFIWIBFSA-N 0 0 198.295 1.499 10 0 ADAERN CCN(c1nc(N)ns1)C(C)C 85437911 573026774 /nfs/dbraw/zinc/02/67/74/573026774.db2.gz DAIIYUCQFGFMEI-UHFFFAOYSA-N 0 0 186.284 1.355 10 0 ADAERN CC1(C)NC=C2C(=O)C[C@@H]21 238255634 573026782 /nfs/dbraw/zinc/02/67/82/573026782.db2.gz ZPRRVTWNUANCNC-WDSKDSINSA-N 0 0 137.182 1.055 10 0 ADAERN CC1=C[C@H]2NC(=O)[C@@H]1c1ccccc12 238255352 573026829 /nfs/dbraw/zinc/02/68/29/573026829.db2.gz GWRVUPPTAFLIGU-MNOVXSKESA-N 0 0 185.226 1.901 10 0 ADAERN CCN(CC(F)(F)F)[C@@H]1C[C@@H]1CO 308228637 573026833 /nfs/dbraw/zinc/02/68/33/573026833.db2.gz NXAVKKRDFOUMAC-RNFRBKRXSA-N 0 0 197.200 1.251 10 0 ADAERN CCNC(=O)[C@H]1O[C@@H]1c1ccccc1 238255472 573026840 /nfs/dbraw/zinc/02/68/40/573026840.db2.gz SDYZGNJUVJXUAJ-ZJUUUORDSA-N 0 0 191.230 1.263 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1nc(N)ns1 85428589 573026841 /nfs/dbraw/zinc/02/68/41/573026841.db2.gz VUBHTSCENWIDSS-PHDIDXHHSA-N 0 0 198.295 1.721 10 0 ADAERN CC1(C)Nc2cc(O)ccc2OC1=O 259315609 573026882 /nfs/dbraw/zinc/02/68/82/573026882.db2.gz RNDMGORZBLQQRE-UHFFFAOYSA-N 0 0 193.202 1.502 10 0 ADAERN CCNc1ccccc(=O)c1O 238254827 573026915 /nfs/dbraw/zinc/02/69/15/573026915.db2.gz STQGWDZHJWIGBE-UHFFFAOYSA-N 0 0 165.192 1.184 10 0 ADAERN CCCc1ncc2[nH]c(=S)[nH]c2n1 238254434 573026934 /nfs/dbraw/zinc/02/69/34/573026934.db2.gz CPVCMPOFXKOOFU-UHFFFAOYSA-N 0 0 194.263 1.968 10 0 ADAERN NOC[C@H]1Cc2cc(F)ccc2N1 258227362 573026947 /nfs/dbraw/zinc/02/69/47/573026947.db2.gz WEFPCZAIHZUICI-MRVPVSSYSA-N 0 0 182.198 1.053 10 0 ADAERN Nc1nsc(NC2CCCC2)n1 85427431 573026958 /nfs/dbraw/zinc/02/69/58/573026958.db2.gz NCSHTYRHMSBTLE-UHFFFAOYSA-N 0 0 184.268 1.475 10 0 ADAERN Cc1cc(N[C@@H]2C[C@@H]2C)nc(N)[nH+]1 82403776 573026995 /nfs/dbraw/zinc/02/69/95/573026995.db2.gz SNGGSDXLTADXKS-CAHLUQPWSA-N 0 0 178.239 1.188 10 0 ADAERN C[C@@H](O)C[C@@H]1CC=CCCC(=O)O1 308229147 573027022 /nfs/dbraw/zinc/02/70/22/573027022.db2.gz SEZZPGYPEPDPAT-BDAKNGLRSA-N 0 0 184.235 1.409 10 0 ADAERN CCOC(=O)c1cc(C)n(CC)c1N 238254735 573027048 /nfs/dbraw/zinc/02/70/48/573027048.db2.gz VGZVCBIPDXKDGG-UHFFFAOYSA-N 0 0 196.250 1.575 10 0 ADAERN C[C@@H]([NH3+])c1cc([O-])c(F)c(F)c1 104573766 573027717 /nfs/dbraw/zinc/02/77/17/573027717.db2.gz HXMZPBQIONVVLU-SCSAIBSYSA-N 0 0 173.162 1.690 10 0 ADAERN CC(C)CCOC(=O)c1nc[nH]n1 308228551 573028051 /nfs/dbraw/zinc/02/80/51/573028051.db2.gz FSADQMOISZSBLM-UHFFFAOYSA-N 0 0 183.211 1.008 10 0 ADAERN Cc1cccc2c1NC(=O)[C@@H](C)N2C 235683694 573027702 /nfs/dbraw/zinc/02/77/02/573027702.db2.gz RCPAQCNZCMESOW-MRVPVSSYSA-N 0 0 190.246 1.772 10 0 ADAERN CCc1occc1[C@H]1COCCN1 104575866 573027707 /nfs/dbraw/zinc/02/77/07/573027707.db2.gz LIIKQXNBMCNNOU-SECBINFHSA-N 0 0 181.235 1.503 10 0 ADAERN CC(C)[C@H](C)Nc1nc(N)ns1 85427602 573027756 /nfs/dbraw/zinc/02/77/56/573027756.db2.gz CWJQDUMDBYDQEL-YFKPBYRVSA-N 0 0 186.284 1.577 10 0 ADAERN Nc1cccn(CCCCF)c1=O 379363136 573027757 /nfs/dbraw/zinc/02/77/57/573027757.db2.gz FPRBRGPPEZFZPJ-UHFFFAOYSA-N 0 0 184.214 1.180 10 0 ADAERN C[C@@H]1CCCN(c2nc(N)ns2)C1 85437848 573027761 /nfs/dbraw/zinc/02/77/61/573027761.db2.gz FAUUTTXJXWWZPF-ZCFIWIBFSA-N 0 0 198.295 1.357 10 0 ADAERN CCN(CC(F)(F)F)[C@@H]1C[C@H]1CO 308228636 573027763 /nfs/dbraw/zinc/02/77/63/573027763.db2.gz NXAVKKRDFOUMAC-NKWVEPMBSA-N 0 0 197.200 1.251 10 0 ADAERN CC[C@H](O)CCC[C@@H](C)O 113816820 573027773 /nfs/dbraw/zinc/02/77/73/573027773.db2.gz ONGUKKAIGDNAGC-SFYZADRCSA-N 0 0 146.230 1.308 10 0 ADAERN Pc1ccccc1-n1cccc1 113771761 573027779 /nfs/dbraw/zinc/02/77/79/573027779.db2.gz DDGUPXUGDYAWSF-UHFFFAOYSA-N 0 0 175.171 1.978 10 0 ADAERN Nc1nsc(NC2CCC2)n1 85428461 573027788 /nfs/dbraw/zinc/02/77/88/573027788.db2.gz RWVUMFXSIGKNKC-UHFFFAOYSA-N 0 0 170.241 1.085 10 0 ADAERN C[C@@H](Nc1nc(N)ns1)C1CC1 85427680 573027792 /nfs/dbraw/zinc/02/77/92/573027792.db2.gz GTLSXDRDVPIIOD-SCSAIBSYSA-N 0 0 184.268 1.331 10 0 ADAERN C[C@@H](C1CC1)N(C)c1nc(N)ns1 85437375 573027842 /nfs/dbraw/zinc/02/78/42/573027842.db2.gz UIXZHRSLXRVHQF-YFKPBYRVSA-N 0 0 198.295 1.355 10 0 ADAERN CC(C)OC[C@]1(CO)CCO[C@H]1C 308227827 573027895 /nfs/dbraw/zinc/02/78/95/573027895.db2.gz RNCGXHFYDNYTCX-VHSXEESVSA-N 0 0 188.267 1.199 10 0 ADAERN Nc1ccc(Cc2cccs2)nn1 259313508 573027903 /nfs/dbraw/zinc/02/79/03/573027903.db2.gz DHDIEOWAFUPVAI-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CC1(C)NC(=O)N=C1c1ccccc1 238256472 573027910 /nfs/dbraw/zinc/02/79/10/573027910.db2.gz RBJLMJNKFGDJFV-UHFFFAOYSA-N 0 0 188.230 1.978 10 0 ADAERN CC/C=C\C(=O)N[C@@H]1CSC[C@@H]1C 308227531 573027911 /nfs/dbraw/zinc/02/79/11/573027911.db2.gz NMDPBQKFZZKBDX-CGECUYNFSA-N 0 0 199.319 1.820 10 0 ADAERN C[C@@H]1C[C@@H]([C@H](CC2CCC2)NN)CO1 252990928 573027912 /nfs/dbraw/zinc/02/79/12/573027912.db2.gz BITPPKCLKRAJLI-IEBDPFPHSA-N 0 0 198.310 1.434 10 0 ADAERN CCCC(=O)NC1(CCO)CCC1 308227562 573027915 /nfs/dbraw/zinc/02/79/15/573027915.db2.gz NOGPEROHSXGIIB-UHFFFAOYSA-N 0 0 185.267 1.208 10 0 ADAERN COCCCC[C@@H](NN)C(C)(C)C 308228411 573027955 /nfs/dbraw/zinc/02/79/55/573027955.db2.gz RRNZMSGWMGLWIE-SECBINFHSA-N 0 0 188.315 1.681 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)CCC(F)F 308478745 573027962 /nfs/dbraw/zinc/02/79/62/573027962.db2.gz MPQZSSCOHBTJPM-NKWVEPMBSA-N 0 0 191.221 1.946 10 0 ADAERN CC1(C)NC(=O)N=C2CCCCC21 238256558 573027971 /nfs/dbraw/zinc/02/79/71/573027971.db2.gz VKRQTXPCFLXEMA-UHFFFAOYSA-N 0 0 180.251 1.906 10 0 ADAERN C[C@H](CCO)NCC(F)(F)C1CC1 308228045 573027972 /nfs/dbraw/zinc/02/79/72/573027972.db2.gz FPYGXZGUUMKHDE-SSDOTTSWSA-N 0 0 193.237 1.392 10 0 ADAERN C=Cc1cc(C(=O)OC)cc(F)c1O 113746295 573027973 /nfs/dbraw/zinc/02/79/73/573027973.db2.gz BHPFKUDGJTZOKE-UHFFFAOYSA-N 0 0 196.177 1.961 10 0 ADAERN CO[C@H](C1CC1)[C@@H](O)c1ccc[nH]1 308229156 573028000 /nfs/dbraw/zinc/02/80/00/573028000.db2.gz SFEHCEONCFSMDJ-VHSXEESVSA-N 0 0 181.235 1.473 10 0 ADAERN CC[C@H](C)CNc1nc(N)ns1 85428525 573028002 /nfs/dbraw/zinc/02/80/02/573028002.db2.gz DQXINEWKYPZTKD-YFKPBYRVSA-N 0 0 186.284 1.578 10 0 ADAERN Cc1ccncc1[C@H](O)[C@H]1CCOC1 85440308 573028007 /nfs/dbraw/zinc/02/80/07/573028007.db2.gz RHECDFQRUIFWOC-GXSJLCMTSA-N 0 0 193.246 1.460 10 0 ADAERN COCCNc1ccsc1 82409711 573028029 /nfs/dbraw/zinc/02/80/29/573028029.db2.gz SILSHVLLMUKMAJ-UHFFFAOYSA-N 0 0 157.238 1.806 10 0 ADAERN C[C@H]1C[C@]12CCc1ncc(C=O)n12 141742569 573028031 /nfs/dbraw/zinc/02/80/31/573028031.db2.gz PKSFQDSXJPJBJX-OIBJUYFYSA-N 0 0 176.219 1.377 10 0 ADAERN Cc1ccncc1[C@H](O)[C@@H]1CCOC1 85440304 573028053 /nfs/dbraw/zinc/02/80/53/573028053.db2.gz RHECDFQRUIFWOC-MWLCHTKSSA-N 0 0 193.246 1.460 10 0 ADAERN C[C@H]1CCCC[C@]1(C)C(N)=O 113721160 573028067 /nfs/dbraw/zinc/02/80/67/573028067.db2.gz VZGXGTZYIMAENV-CBAPKCEASA-N 0 0 155.241 1.688 10 0 ADAERN CCOC(=O)C1=CC[C@@H](O)CC1 238248182 573028074 /nfs/dbraw/zinc/02/80/74/573028074.db2.gz MSJPGDHMZFAJLF-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN CCC[C@](C)(O)CC[C@@H](C)O 238256907 573028090 /nfs/dbraw/zinc/02/80/90/573028090.db2.gz JRYOHJFFXPGAID-BDAKNGLRSA-N 0 0 160.257 1.699 10 0 ADAERN CCCC(=O)OC[C@@H]1CCOCO1 308227561 573028123 /nfs/dbraw/zinc/02/81/23/573028123.db2.gz NOCVJAWBCBUUGG-QMMMGPOBSA-N 0 0 188.223 1.093 10 0 ADAERN CCOC(=O)C(C)(C)c1ccc[nH]1 308227776 573028128 /nfs/dbraw/zinc/02/81/28/573028128.db2.gz RMCDMXHSJBNIOV-UHFFFAOYSA-N 0 0 181.235 1.855 10 0 ADAERN CCCOC(=O)[C@@H]1CCC(C)(C)O1 308229722 573028140 /nfs/dbraw/zinc/02/81/40/573028140.db2.gz OFKWXGZKWNQJAD-QMMMGPOBSA-N 0 0 186.251 1.897 10 0 ADAERN CN(CC1CCC1)c1nc(N)ns1 85437969 573028141 /nfs/dbraw/zinc/02/81/41/573028141.db2.gz MOYLBXDDQJRMOW-UHFFFAOYSA-N 0 0 198.295 1.357 10 0 ADAERN NC(=S)OCc1ccccc1 113800957 573028162 /nfs/dbraw/zinc/02/81/62/573028162.db2.gz JPWQSSQOIDBJBI-UHFFFAOYSA-N 0 0 167.233 1.447 10 0 ADAERN Cc1sc(N)nc1[C@@H]1CCCOC1 258229879 573028263 /nfs/dbraw/zinc/02/82/63/573028263.db2.gz ZIZMPBXBOWGBHN-SSDOTTSWSA-N 0 0 198.291 1.928 10 0 ADAERN Nc1nsc(NC2CCCCC2)n1 85427415 573028270 /nfs/dbraw/zinc/02/82/70/573028270.db2.gz BFWBNXZUFNUCFD-UHFFFAOYSA-N 0 0 198.295 1.865 10 0 ADAERN 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HVZXEZXZLPGRNX-UHFFFAOYSA-N 0 0 180.251 1.973 10 0 ADAERN Cc1nn(C)c2c(C=O)cc(F)cc12 259597369 573030810 /nfs/dbraw/zinc/03/08/10/573030810.db2.gz YYXMSMXFAOZOPB-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN CCNC(=O)c1cc(C)c(N)c(C)c1 238256641 573030817 /nfs/dbraw/zinc/03/08/17/573030817.db2.gz QPGBMKQIUPBDEK-UHFFFAOYSA-N 0 0 192.262 1.635 10 0 ADAERN CCOC1=NOC2(CCCCC2)NC1 238256860 573030822 /nfs/dbraw/zinc/03/08/22/573030822.db2.gz DCWODGVEFIBQDE-UHFFFAOYSA-N 0 0 198.266 1.617 10 0 ADAERN Cc1nc([C@H](N)C(F)(F)F)c[nH]1 104580250 573030849 /nfs/dbraw/zinc/03/08/49/573030849.db2.gz MXUJIGOIOHJZSE-YFKPBYRVSA-N 0 0 179.145 1.280 10 0 ADAERN CCOC1[C@@H](C)C(O)[C@@H]1C 238256379 573030863 /nfs/dbraw/zinc/03/08/63/573030863.db2.gz JVZVUUFIPSIDKG-LHZZQDSXSA-N 0 0 144.214 1.038 10 0 ADAERN Cc1ccncc1-c1nnc(N)s1 85443253 573030872 /nfs/dbraw/zinc/03/08/72/573030872.db2.gz DROXWGIDZRZGID-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1=C[C@@H](O)CC(C)(C)C[C@H]1O 238248200 573030886 /nfs/dbraw/zinc/03/08/86/573030886.db2.gz RRVNDVLWFDGEHN-RKDXNWHRSA-N 0 0 170.252 1.475 10 0 ADAERN c1ccc(S[C@H]2COCCN2)cc1 259313399 573030902 /nfs/dbraw/zinc/03/09/02/573030902.db2.gz VNYMSYQOBZGVJK-JTQLQIEISA-N 0 0 195.287 1.725 10 0 ADAERN CCCOC(=O)c1csnn1 82425259 573030959 /nfs/dbraw/zinc/03/09/59/573030959.db2.gz YTUUBTCRCMBOHH-UHFFFAOYSA-N 0 0 172.209 1.105 10 0 ADAERN CC/C=C/[C@H](N)C(F)(F)F 104579644 573031004 /nfs/dbraw/zinc/03/10/04/573031004.db2.gz JCOJNNZXBVXPGS-BHYDHMSTSA-N 0 0 153.147 1.842 10 0 ADAERN Cc1cc(C)c(C(=O)CN)c(O)c1C 259313544 573031011 /nfs/dbraw/zinc/03/10/11/573031011.db2.gz DHTAAPWYEMIOQO-UHFFFAOYSA-N 0 0 193.246 1.459 10 0 ADAERN Nc1ccc(O)cc1[C@@H]([NH3+])C1CC1 104577674 573031043 /nfs/dbraw/zinc/03/10/43/573031043.db2.gz JPAXVADJKWKVST-JTQLQIEISA-N 0 0 178.235 1.384 10 0 ADAERN CNOCC[C@@H]1CCCCS1 257931956 573031050 /nfs/dbraw/zinc/03/10/50/573031050.db2.gz TUHXENWUUJNSGZ-QMMMGPOBSA-N 0 0 175.297 1.813 10 0 ADAERN COC(=O)c1onc2ccsc12 259597728 573031053 /nfs/dbraw/zinc/03/10/53/573031053.db2.gz CLDNNQCSWCUIJE-UHFFFAOYSA-N 0 0 183.188 1.676 10 0 ADAERN Cc1[nH]c(NN)nc1-c1ccncc1 258526378 573031054 /nfs/dbraw/zinc/03/10/54/573031054.db2.gz HVZIZBVUAHQSRQ-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN CC1(C)C[C@H](O)C(=O)C1(C)C 238248365 573031060 /nfs/dbraw/zinc/03/10/60/573031060.db2.gz WAZSAIHFEORYJJ-LURJTMIESA-N 0 0 156.225 1.373 10 0 ADAERN Cc1ccncc1[C@@H](O)[C@H]1CCCO1 85441103 573031104 /nfs/dbraw/zinc/03/11/04/573031104.db2.gz UZCVNKHFOMUYBK-GHMZBOCLSA-N 0 0 193.246 1.602 10 0 ADAERN O=C1NCCc2oc3ccccc3c21 197965932 573031121 /nfs/dbraw/zinc/03/11/21/573031121.db2.gz KUSBPBDMQUZFSM-UHFFFAOYSA-N 0 0 187.198 1.719 10 0 ADAERN COc1cc(C2CC(=O)C2)ccc1O 113806571 573031130 /nfs/dbraw/zinc/03/11/30/573031130.db2.gz LHSORBAYJMANCQ-UHFFFAOYSA-N 0 0 192.214 1.847 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1CC[C@H]1O 257932014 573031145 /nfs/dbraw/zinc/03/11/45/573031145.db2.gz TVFUQKFMAZCCQO-RNFRBKRXSA-N 0 0 172.224 1.099 10 0 ADAERN Cc1cccc2[nH]c(C=O)nc12 82405347 573031151 /nfs/dbraw/zinc/03/11/51/573031151.db2.gz SIYMZABKJYZHPF-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN CC[C@@H]([NH3+])c1cc(O)ccc1N 104577657 573031153 /nfs/dbraw/zinc/03/11/53/573031153.db2.gz RUCLEXCEJIAQFB-MRVPVSSYSA-N 0 0 166.224 1.384 10 0 ADAERN Nc1cc(C2CC2)nnc1Cl 257931163 573031186 /nfs/dbraw/zinc/03/11/86/573031186.db2.gz KSKDSNDCHFGYKB-UHFFFAOYSA-N 0 0 169.615 1.590 10 0 ADAERN C[C@H](CO)c1cccc2c1CCN2 257931678 573031193 /nfs/dbraw/zinc/03/11/93/573031193.db2.gz PURFCAHVNSLJOZ-MRVPVSSYSA-N 0 0 177.247 1.750 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1CC[C@H]1O 257932013 573031209 /nfs/dbraw/zinc/03/12/09/573031209.db2.gz TVFUQKFMAZCCQO-NKWVEPMBSA-N 0 0 172.224 1.099 10 0 ADAERN COC(=O)N1C=C[C@]2(C)C=C[C@@H]12 198659380 573031228 /nfs/dbraw/zinc/03/12/28/573031228.db2.gz YDHDOQFHOIOECZ-APPZFPTMSA-N 0 0 165.192 1.527 10 0 ADAERN Cc1ccncc1C(=O)C1CC1 85440799 573031255 /nfs/dbraw/zinc/03/12/55/573031255.db2.gz IFGZVXVKJYDZEU-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN Cc1cccnc1NC[C@@H](O)C1CC1 82425175 573031266 /nfs/dbraw/zinc/03/12/66/573031266.db2.gz IOBKDCOHSQBHRT-SNVBAGLBSA-N 0 0 192.262 1.573 10 0 ADAERN CC[C@H](C1CC1)[C@H]1CC(=O)NC1=O 113806290 573031353 /nfs/dbraw/zinc/03/13/53/573031353.db2.gz ZUFKTPQFIGKSQW-HTQZYQBOSA-N 0 0 181.235 1.085 10 0 ADAERN CO[C@H](CN(C)N)c1ccccc1 257931838 573031321 /nfs/dbraw/zinc/03/13/21/573031321.db2.gz SXBODJRKNDTPCU-SNVBAGLBSA-N 0 0 180.251 1.180 10 0 ADAERN [NH3+][C@H](CCO)c1ccc([S-])cc1 104578680 573031322 /nfs/dbraw/zinc/03/13/22/573031322.db2.gz LRRKVGMVKFGCNF-SECBINFHSA-N 0 0 183.276 1.358 10 0 ADAERN COCC(=O)c1cnccc1C 85440815 573031323 /nfs/dbraw/zinc/03/13/23/573031323.db2.gz UWZVFZPWBWSIQT-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN Cc1ccncc1[C@H](O)[C@@H]1CCCO1 85441097 573031362 /nfs/dbraw/zinc/03/13/62/573031362.db2.gz UZCVNKHFOMUYBK-QWRGUYRKSA-N 0 0 193.246 1.602 10 0 ADAERN CCCC[C@@H]1C=C(NC)C(=O)O1 238248073 573031485 /nfs/dbraw/zinc/03/14/85/573031485.db2.gz TVXVUGHKDNHHFJ-SSDOTTSWSA-N 0 0 169.224 1.205 10 0 ADAERN CCCc1nc(COC(C)C)no1 308236563 573031412 /nfs/dbraw/zinc/03/14/12/573031412.db2.gz QYMXKKDCEXNCAY-UHFFFAOYSA-N 0 0 184.239 1.947 10 0 ADAERN COC(=O)N1C=C[C@@]2(C)C=C[C@@H]12 198659394 573031413 /nfs/dbraw/zinc/03/14/13/573031413.db2.gz YDHDOQFHOIOECZ-VXNVDRBHSA-N 0 0 165.192 1.527 10 0 ADAERN Cc1cc([C@H]([NH3+])[C@H](C)O)cs1 104577903 573031417 /nfs/dbraw/zinc/03/14/17/573031417.db2.gz YOGDLSUADHMWQY-POYBYMJQSA-N 0 0 171.265 1.437 10 0 ADAERN Cc1nc(N)ncc1CCC(C)C 141789921 573031519 /nfs/dbraw/zinc/03/15/19/573031519.db2.gz SBVLMTQOCZHLBN-UHFFFAOYSA-N 0 0 179.267 1.956 10 0 ADAERN C[C@@](CO)(CON)C1CCCC1 257932008 573031436 /nfs/dbraw/zinc/03/14/36/573031436.db2.gz TVEGSFGOSTWIHM-SECBINFHSA-N 0 0 173.256 1.066 10 0 ADAERN COc1ccc2c(c1)C[C@@H](CO)C2 113719549 573031444 /nfs/dbraw/zinc/03/14/44/573031444.db2.gz CNDYJQPSBZAOTQ-QMMMGPOBSA-N 0 0 178.231 1.402 10 0 ADAERN Cc1ccncc1-n1cc(N)cn1 85441947 573031445 /nfs/dbraw/zinc/03/14/45/573031445.db2.gz RFGPKUKWZOFQPJ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CO[C@@H](CN(C)N)c1ccccc1 257931835 573031449 /nfs/dbraw/zinc/03/14/49/573031449.db2.gz SXBODJRKNDTPCU-JTQLQIEISA-N 0 0 180.251 1.180 10 0 ADAERN OCc1cnoc1Cc1cccs1 259315574 573031763 /nfs/dbraw/zinc/03/17/63/573031763.db2.gz RMVBVKGCEDINHX-UHFFFAOYSA-N 0 0 195.243 1.819 10 0 ADAERN C[C@](CO)(CON)C1CCCC1 257932010 573031699 /nfs/dbraw/zinc/03/16/99/573031699.db2.gz TVEGSFGOSTWIHM-VIFPVBQESA-N 0 0 173.256 1.066 10 0 ADAERN Nc1cc(F)cc2c1OCCO2 113794088 573031704 /nfs/dbraw/zinc/03/17/04/573031704.db2.gz XBTOBDYFBPMYJD-UHFFFAOYSA-N 0 0 169.155 1.179 10 0 ADAERN C[C@]12CCCC[C@]1(O)[C@@H](O)CCC2 141822476 573031708 /nfs/dbraw/zinc/03/17/08/573031708.db2.gz VLUROGYVAKSLOW-AXFHLTTASA-N 0 0 184.279 1.843 10 0 ADAERN O=Cc1ccn(-c2cccc(O)c2)c1 113772002 573031752 /nfs/dbraw/zinc/03/17/52/573031752.db2.gz MEAUYNZADITSND-UHFFFAOYSA-N 0 0 187.198 1.995 10 0 ADAERN CCc1nn(C)c2cc(O)ccc12 257931864 573031739 /nfs/dbraw/zinc/03/17/39/573031739.db2.gz SXOOCTQKGITFDY-UHFFFAOYSA-N 0 0 176.219 1.841 10 0 ADAERN CN(Cc1ccccc1)C1COC1 104577154 573031811 /nfs/dbraw/zinc/03/18/11/573031811.db2.gz VLLMORFHJSDEQQ-UHFFFAOYSA-N 0 0 177.247 1.517 10 0 ADAERN COC(=O)c1cc2c(cc1F)CCN2 259597403 573031831 /nfs/dbraw/zinc/03/18/31/573031831.db2.gz YZYMGAGAUQYBIJ-UHFFFAOYSA-N 0 0 195.193 1.580 10 0 ADAERN Cc1cc([C@H](C)[NH3+])ccc1C(=O)[O-] 104579491 573031870 /nfs/dbraw/zinc/03/18/70/573031870.db2.gz QGQWJUWDKKLZLF-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN CCO[C@H](CC)[C@H](O)c1ccc[nH]1 308235769 573031872 /nfs/dbraw/zinc/03/18/72/573031872.db2.gz VWDZHODTLLPDGV-NXEZZACHSA-N 0 0 183.251 1.863 10 0 ADAERN COC(=O)[C@H](F)[C@H]1CCCS1 257930813 573031874 /nfs/dbraw/zinc/03/18/74/573031874.db2.gz SWMVMIYDYOAYAZ-PHDIDXHHSA-N 0 0 178.228 1.393 10 0 ADAERN Cc1ccncc1[C@@H](O)[C@@H]1CCCO1 85441098 573031904 /nfs/dbraw/zinc/03/19/04/573031904.db2.gz UZCVNKHFOMUYBK-WDEREUQCSA-N 0 0 193.246 1.602 10 0 ADAERN CCc1c2ccc(N)cc2nn1C 257931958 573031905 /nfs/dbraw/zinc/03/19/05/573031905.db2.gz TUIAYWMLAYIGJD-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN O=C1CC(C[C@@H]2CCCO2)C1 113813395 573031926 /nfs/dbraw/zinc/03/19/26/573031926.db2.gz BZVXHLYQCUUXSE-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN COC(=O)[C@@H](F)[C@@H]1CCCS1 257930817 573031930 /nfs/dbraw/zinc/03/19/30/573031930.db2.gz SWMVMIYDYOAYAZ-WDSKDSINSA-N 0 0 178.228 1.393 10 0 ADAERN CC(=O)[C@H](O)c1sccc1C 259315287 573031939 /nfs/dbraw/zinc/03/19/39/573031939.db2.gz XPMMIWXJQRCQKI-ZETCQYMHSA-N 0 0 170.233 1.679 10 0 ADAERN CCc1cccc(F)c1[C@@H](N)C[NH3+] 104578588 573031961 /nfs/dbraw/zinc/03/19/61/573031961.db2.gz DGMDBQNPOORMAT-VIFPVBQESA-N 0 0 182.242 1.347 10 0 ADAERN CNOCC[C@H]1CCCCS1 257931954 573031972 /nfs/dbraw/zinc/03/19/72/573031972.db2.gz TUHXENWUUJNSGZ-MRVPVSSYSA-N 0 0 175.297 1.813 10 0 ADAERN CC1(C)N=C(c2ccccc2)NC1=N 238248254 573031979 /nfs/dbraw/zinc/03/19/79/573031979.db2.gz DAKLUWXQGQQNHJ-UHFFFAOYSA-N 0 0 187.246 1.792 10 0 ADAERN CC(C)c1ccn(-c2cnccn2)n1 87969717 573032013 /nfs/dbraw/zinc/03/20/13/573032013.db2.gz HHPKPMDDEVGAIH-UHFFFAOYSA-N 0 0 188.234 1.786 10 0 ADAERN Cc1[nH]nc2c(F)cc(N)cc12 259313632 573032025 /nfs/dbraw/zinc/03/20/25/573032025.db2.gz FLJNTULJKXEXOE-UHFFFAOYSA-N 0 0 165.171 1.593 10 0 ADAERN Cc1ccncc1C1=C[C@H](O)CC1 85443044 573032100 /nfs/dbraw/zinc/03/21/00/573032100.db2.gz IOVLTZGNJZOJRX-SNVBAGLBSA-N 0 0 175.231 1.928 10 0 ADAERN Nc1nccc(-c2ccc(C=O)cc2)n1 257931743 573032101 /nfs/dbraw/zinc/03/21/01/573032101.db2.gz ZVAAQUMRZUXRBX-UHFFFAOYSA-N 0 0 199.213 1.538 10 0 ADAERN CCNc1cc(C)[nH+]c(C)c1C(=O)[O-] 87975638 573032114 /nfs/dbraw/zinc/03/21/14/573032114.db2.gz GQZXBOCDVIRMQE-UHFFFAOYSA-N 0 0 194.234 1.828 10 0 ADAERN O=C([O-])c1cccc([C@H]2CC[NH2+]2)c1 104579018 573032120 /nfs/dbraw/zinc/03/21/20/573032120.db2.gz FMNDFGBYZVDAAP-SECBINFHSA-N 0 0 177.203 1.419 10 0 ADAERN CCc1cc(C(=O)OC)cc(F)c1O 113739257 573032152 /nfs/dbraw/zinc/03/21/52/573032152.db2.gz YDOYMGSSYGSXBW-UHFFFAOYSA-N 0 0 198.193 1.880 10 0 ADAERN COC[C@@H](O)c1cnccc1C 85440981 573032168 /nfs/dbraw/zinc/03/21/68/573032168.db2.gz OBFLLMOVUPBCHA-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN CCO[C@@H](CC)[C@@H](O)c1ccc[nH]1 308235770 573032171 /nfs/dbraw/zinc/03/21/71/573032171.db2.gz VWDZHODTLLPDGV-UWVGGRQHSA-N 0 0 183.251 1.863 10 0 ADAERN O=C([O-])CCCC[N@@H+]1CCC12CCC2 308841874 573032172 /nfs/dbraw/zinc/03/21/72/573032172.db2.gz KKLLMZYEBBORFA-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN O=Cc1nonc1-c1ccco1 82404439 573032174 /nfs/dbraw/zinc/03/21/74/573032174.db2.gz VJKLZEGUXMNAJX-UHFFFAOYSA-N 0 0 164.120 1.142 10 0 ADAERN CCOC(=O)c1ccn(CC)c1N 257931074 573032192 /nfs/dbraw/zinc/03/21/92/573032192.db2.gz PELCLCRXNNUDAT-UHFFFAOYSA-N 0 0 182.223 1.267 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1O 257932015 573032212 /nfs/dbraw/zinc/03/22/12/573032212.db2.gz TVFUQKFMAZCCQO-RQJHMYQMSA-N 0 0 172.224 1.099 10 0 ADAERN C/C=C(\C)[C@@H](N)C(F)(F)F 104579642 573032215 /nfs/dbraw/zinc/03/22/15/573032215.db2.gz DKGJOABWMOFJAW-QLSVQJPWSA-N 0 0 153.147 1.842 10 0 ADAERN Nc1c[nH]c2nscc12 82410490 573032224 /nfs/dbraw/zinc/03/22/24/573032224.db2.gz HHYDWIVOQQFAII-UHFFFAOYSA-N 0 0 139.183 1.207 10 0 ADAERN Cn1c(CO)cc2c(N)cccc21 257931551 573032229 /nfs/dbraw/zinc/03/22/29/573032229.db2.gz FCKBZQYBXYIWFK-UHFFFAOYSA-N 0 0 176.219 1.253 10 0 ADAERN CC[C@@H](O)CCC[C@H](C)O 113816821 573032245 /nfs/dbraw/zinc/03/22/45/573032245.db2.gz ONGUKKAIGDNAGC-JGVFFNPUSA-N 0 0 146.230 1.308 10 0 ADAERN COC(=O)[C@H](F)[C@@H]1CCCS1 257930812 573032252 /nfs/dbraw/zinc/03/22/52/573032252.db2.gz SWMVMIYDYOAYAZ-NTSWFWBYSA-N 0 0 178.228 1.393 10 0 ADAERN Cc1cn(C)c(N2CCCC2)n1 257931761 573032258 /nfs/dbraw/zinc/03/22/58/573032258.db2.gz TXAMVOFXUQSSKX-UHFFFAOYSA-N 0 0 165.240 1.329 10 0 ADAERN c1ccc(S[C@@H]2COCCN2)cc1 259313402 573032289 /nfs/dbraw/zinc/03/22/89/573032289.db2.gz VNYMSYQOBZGVJK-SNVBAGLBSA-N 0 0 195.287 1.725 10 0 ADAERN COc1ccc(O)cc1[C@H]1CC[NH2+]1 104577484 573032351 /nfs/dbraw/zinc/03/23/51/573032351.db2.gz IVYIOTOUQQHCKE-SECBINFHSA-N 0 0 179.219 1.435 10 0 ADAERN Cc1ccncc1[C@]1(O)CCCOC1 85440446 573032331 /nfs/dbraw/zinc/03/23/31/573032331.db2.gz ZKECNWOISUUKHG-NSHDSACASA-N 0 0 193.246 1.388 10 0 ADAERN Cc1cc2c(cc1N)NCC2 82408733 573032352 /nfs/dbraw/zinc/03/23/52/573032352.db2.gz ZCBNEKQSFGFMMQ-UHFFFAOYSA-N 0 0 148.209 1.545 10 0 ADAERN COc1c(C=O)ccc2cn(C)nc12 259313701 573033073 /nfs/dbraw/zinc/03/30/73/573033073.db2.gz FMYYMAVLJUBHBO-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN CCc1nc(C)nc(N)c1C 82408038 573032498 /nfs/dbraw/zinc/03/24/98/573032498.db2.gz HWMLPXTUSXZWGQ-UHFFFAOYSA-N 0 0 151.213 1.238 10 0 ADAERN CCCC[C@H](O)[C@@H](CC)OC(C)=O 308235776 573032501 /nfs/dbraw/zinc/03/25/01/573032501.db2.gz VWKLFXVTUUVUJS-VHSXEESVSA-N 0 0 188.267 1.879 10 0 ADAERN [O-]C1=[NH+]CC[C@@H](Cc2ccccc2)N1 113772130 573032514 /nfs/dbraw/zinc/03/25/14/573032514.db2.gz GFJDRVNOTBWFHD-JTQLQIEISA-N 0 0 190.246 1.301 10 0 ADAERN Cc1cc([C@@](C)([NH3+])C(=O)[O-])oc1C 104580439 573032519 /nfs/dbraw/zinc/03/25/19/573032519.db2.gz WCYGJKVCOHDPOR-SECBINFHSA-N 0 0 183.207 1.155 10 0 ADAERN Cc1sc(N)nc1[C@H]1CCCOC1 258229885 573032520 /nfs/dbraw/zinc/03/25/20/573032520.db2.gz ZIZMPBXBOWGBHN-ZETCQYMHSA-N 0 0 198.291 1.928 10 0 ADAERN CCCC(=O)O[C@@H]1CCC[C@@H]1OC 308235934 573032555 /nfs/dbraw/zinc/03/25/55/573032555.db2.gz QXUZVDRVHUDQKS-DTWKUNHWSA-N 0 0 186.251 1.897 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1CC[C@@H]1O 257932012 573032566 /nfs/dbraw/zinc/03/25/66/573032566.db2.gz TVFUQKFMAZCCQO-BQBZGAKWSA-N 0 0 172.224 1.099 10 0 ADAERN CCCOC(=O)c1cnns1 82425255 573032600 /nfs/dbraw/zinc/03/26/00/573032600.db2.gz WMNFAWAITWKZOU-UHFFFAOYSA-N 0 0 172.209 1.105 10 0 ADAERN CC1=C(N)C2(CCCCC2)OC1=O 238248637 573032608 /nfs/dbraw/zinc/03/26/08/573032608.db2.gz RUTUGFYWSUWJGE-UHFFFAOYSA-N 0 0 181.235 1.479 10 0 ADAERN CC[NH+]1CCC(/C=C\CC(=O)[O-])CC1 258230297 573032619 /nfs/dbraw/zinc/03/26/19/573032619.db2.gz PLNBWAWUWRWSLW-ARJAWSKDSA-N 0 0 197.278 1.749 10 0 ADAERN CC[C@@H](C1CC1)[C@H]1CC(=O)NC1=O 113806287 573032622 /nfs/dbraw/zinc/03/26/22/573032622.db2.gz ZUFKTPQFIGKSQW-JGVFFNPUSA-N 0 0 181.235 1.085 10 0 ADAERN COC(=O)[C@@H]1CCn2cccc2C1 259597867 573032626 /nfs/dbraw/zinc/03/26/26/573032626.db2.gz CNNWBSHGRCJTOY-MRVPVSSYSA-N 0 0 179.219 1.224 10 0 ADAERN CSCc1sncc1N 257931059 573032634 /nfs/dbraw/zinc/03/26/34/573032634.db2.gz PDXFDGBEUWSQLI-UHFFFAOYSA-N 0 0 160.267 1.588 10 0 ADAERN CCCC[C@@H]1C(=O)N[C@H]1CC 238249984 573032635 /nfs/dbraw/zinc/03/26/35/573032635.db2.gz CFKDRIYDBNGGAB-YUMQZZPRSA-N 0 0 155.241 1.701 10 0 ADAERN CC(=O)CCc1cnccc1C 85442672 573032637 /nfs/dbraw/zinc/03/26/37/573032637.db2.gz FWZMXRAGDYKLAL-UHFFFAOYSA-N 0 0 163.220 1.912 10 0 ADAERN CCC(=O)[C@H]1CCCOCC1 82406310 573032639 /nfs/dbraw/zinc/03/26/39/573032639.db2.gz BPXSXDKBBWHMRL-QMMMGPOBSA-N 0 0 156.225 1.782 10 0 ADAERN CCCCN1C(=O)C[C@H](C)CNC1=O 87982449 573032641 /nfs/dbraw/zinc/03/26/41/573032641.db2.gz 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/nfs/dbraw/zinc/03/27/67/573032767.db2.gz CPIUBMODGJEIDO-ZETCQYMHSA-N 0 0 164.204 1.099 10 0 ADAERN Cc1cc2onc(N)c2c(C)n1 87975765 573032775 /nfs/dbraw/zinc/03/27/75/573032775.db2.gz IYDHLBWQPNKFHG-UHFFFAOYSA-N 0 0 163.180 1.422 10 0 ADAERN CCOC(=O)[C@H](C)c1cc[nH]n1 259597883 573032776 /nfs/dbraw/zinc/03/27/76/573032776.db2.gz CNUPYKZPVQASMN-ZCFIWIBFSA-N 0 0 168.196 1.076 10 0 ADAERN Cc1ccncc1-c1cnc(N)cn1 85441875 573032781 /nfs/dbraw/zinc/03/27/81/573032781.db2.gz GVUWLZZPOZGDLD-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC/C=C\C(=O)NOCC(F)(F)F 308235941 573032789 /nfs/dbraw/zinc/03/27/89/573032789.db2.gz QXWXRGDZIRMTFF-ARJAWSKDSA-N 0 0 197.156 1.563 10 0 ADAERN Cc1ccncc1C(=O)c1ncccn1 85440805 573032800 /nfs/dbraw/zinc/03/28/00/573032800.db2.gz YGIHOKCQAQXZBG-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CCN1N=C(C)CC[C@H]1C(C)=O 238248639 573032805 /nfs/dbraw/zinc/03/28/05/573032805.db2.gz SVCDDYVDCNEHKM-VIFPVBQESA-N 0 0 168.240 1.436 10 0 ADAERN COC(=O)c1cc(C)c(O)c(OC)c1 113746453 573032823 /nfs/dbraw/zinc/03/28/23/573032823.db2.gz SCLNFTWJJBUQRE-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN CC(=O)c1c2c(nn1C)CSC2 257931842 573032825 /nfs/dbraw/zinc/03/28/25/573032825.db2.gz SXEKBOWKSXNNEL-UHFFFAOYSA-N 0 0 182.248 1.370 10 0 ADAERN CC[C@](C)(OC)[C@H](O)c1ccc[nH]1 308235760 573032837 /nfs/dbraw/zinc/03/28/37/573032837.db2.gz VVSYNVXDZCAVES-ZJUUUORDSA-N 0 0 183.251 1.863 10 0 ADAERN Cc1ccc2c(c1)CO[C@@H](CCO)O2 258230778 573032845 /nfs/dbraw/zinc/03/28/45/573032845.db2.gz PGRZVXZEIDEKDT-LLVKDONJSA-N 0 0 194.230 1.613 10 0 ADAERN C[C@]1(O)CNc2cc(O)ccc2C1 257931976 573032852 /nfs/dbraw/zinc/03/28/52/573032852.db2.gz TUQCKZOLOZYKDY-SNVBAGLBSA-N 0 0 179.219 1.111 10 0 ADAERN CCCC(C)(C)[S@](=O)N(C)C 238248726 573032905 /nfs/dbraw/zinc/03/29/05/573032905.db2.gz ZQJLCWODJNCWHD-NSHDSACASA-N 0 0 177.313 1.790 10 0 ADAERN O=C(c1ccc(Cl)nc1)N1CCC1 113801825 573032906 /nfs/dbraw/zinc/03/29/06/573032906.db2.gz GDPOHNSFXPDFOW-UHFFFAOYSA-N 0 0 196.637 1.581 10 0 ADAERN CC(C)Cc1ncccc1N 82408328 573032911 /nfs/dbraw/zinc/03/29/11/573032911.db2.gz RGNYVEZHXXPKGM-UHFFFAOYSA-N 0 0 150.225 1.862 10 0 ADAERN Cc1ccncc1C1=C[C@@H](O)CC1 85443045 573032914 /nfs/dbraw/zinc/03/29/14/573032914.db2.gz IOVLTZGNJZOJRX-JTQLQIEISA-N 0 0 175.231 1.928 10 0 ADAERN CC1(C)C[C@H](O)OC(C)(C)C1 238248912 573032919 /nfs/dbraw/zinc/03/29/19/573032919.db2.gz FSAOZCFCEFIESH-SSDOTTSWSA-N 0 0 158.241 1.920 10 0 ADAERN CC(C)=C[C@H](N)C(F)(F)F 104579664 573032932 /nfs/dbraw/zinc/03/29/32/573032932.db2.gz OJUMBMFNPYHZFV-YFKPBYRVSA-N 0 0 153.147 1.842 10 0 ADAERN C=COCCNC(=S)CC 238249358 573032941 /nfs/dbraw/zinc/03/29/41/573032941.db2.gz RUSISLGGPRMXNV-UHFFFAOYSA-N 0 0 159.254 1.474 10 0 ADAERN OCc1cnc([C@@H]2CCCSC2)o1 258229948 573032950 /nfs/dbraw/zinc/03/29/50/573032950.db2.gz VNRPBRNUMIKLMX-SSDOTTSWSA-N 0 0 199.275 1.778 10 0 ADAERN Cc1cc2cc(CON)ccc2n1C 258231356 573032958 /nfs/dbraw/zinc/03/29/58/573032958.db2.gz WMQMWIOQUQVROS-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN CCCc1ccn(-c2cnccn2)n1 87969719 573032973 /nfs/dbraw/zinc/03/29/73/573032973.db2.gz WIARLOCAFVOGRK-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN Cc1ccncc1C(=O)[C@H]1CCCO1 85440899 573032974 /nfs/dbraw/zinc/03/29/74/573032974.db2.gz YXILJGSCOJSPKN-SNVBAGLBSA-N 0 0 191.230 1.752 10 0 ADAERN [O-]C1=[NH+]CC[C@H](Cc2ccccc2)N1 113772133 573032995 /nfs/dbraw/zinc/03/29/95/573032995.db2.gz GFJDRVNOTBWFHD-SNVBAGLBSA-N 0 0 190.246 1.301 10 0 ADAERN COc1cccc2cc(CON)oc12 258231311 573033095 /nfs/dbraw/zinc/03/30/95/573033095.db2.gz QAUJDLSBYQQAQY-UHFFFAOYSA-N 0 0 193.202 1.832 10 0 ADAERN CC1=C(c2ccc(C)cc2)C(=O)NC1 238249991 573033101 /nfs/dbraw/zinc/03/31/01/573033101.db2.gz LFEDZINPFIYRDC-UHFFFAOYSA-N 0 0 187.242 1.898 10 0 ADAERN Cc1ncnc2ccsc12 113805041 573033108 /nfs/dbraw/zinc/03/31/08/573033108.db2.gz HNOQHUVQEAQMFT-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN CC1(C)C[C@H](O)S1 238248983 573033119 /nfs/dbraw/zinc/03/31/19/573033119.db2.gz ZYYYQMJDNMNQDI-SCSAIBSYSA-N 0 0 118.201 1.220 10 0 ADAERN 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ZWTYBIHCBFMDTD-YUMQZZPRSA-N 0 0 184.235 1.265 10 0 ADAERN Cc1ccncc1C(=O)[C@H]1CCOC1 85440903 573033300 /nfs/dbraw/zinc/03/33/00/573033300.db2.gz NRTKMOPMIHNBAA-VIFPVBQESA-N 0 0 191.230 1.609 10 0 ADAERN CCSCc1cc(N)nn1C 257931092 573033304 /nfs/dbraw/zinc/03/33/04/573033304.db2.gz PFFIMCKLPOURSW-UHFFFAOYSA-N 0 0 171.269 1.255 10 0 ADAERN CCc1oc(CO)nc1CC(C)C 257931923 573033311 /nfs/dbraw/zinc/03/33/11/573033311.db2.gz SZTNTQNKYPNVJX-UHFFFAOYSA-N 0 0 183.251 1.928 10 0 ADAERN CCC[C@@H](O)[C@H](O)Cc1ccccn1 233299244 573033323 /nfs/dbraw/zinc/03/33/23/573033323.db2.gz LTIWTWYBSIDJNG-GHMZBOCLSA-N 0 0 195.262 1.146 10 0 ADAERN O[C@@H](CC1CC1)[C@@H]1CC12CCOCC2 689880471 573033336 /nfs/dbraw/zinc/03/33/36/573033336.db2.gz INBACNJTFUHEMF-QWRGUYRKSA-N 0 0 196.290 1.964 10 0 ADAERN CCOc1cnco1 1574034 573033337 /nfs/dbraw/zinc/03/33/37/573033337.db2.gz BNMZAQRFVVJHOT-UHFFFAOYSA-N 0 0 113.116 1.073 10 0 ADAERN CCOC(=O)c1nc(C)c(C)[nH]1 258526328 573033341 /nfs/dbraw/zinc/03/33/41/573033341.db2.gz HVEMNIMEIJIDSQ-UHFFFAOYSA-N 0 0 168.196 1.203 10 0 ADAERN OCc1cnc(C[C@@H]2CCCS2)o1 258229769 573033344 /nfs/dbraw/zinc/03/33/44/573033344.db2.gz VMRMIVRRDVUFAF-QMMMGPOBSA-N 0 0 199.275 1.605 10 0 ADAERN CCn1ncc(N)c1CSC 257931095 573033353 /nfs/dbraw/zinc/03/33/53/573033353.db2.gz PFNFPZVLULCNFP-UHFFFAOYSA-N 0 0 171.269 1.348 10 0 ADAERN Cc1ccc(O)cc1[C@H]([NH3+])CCO 104577433 573033373 /nfs/dbraw/zinc/03/33/73/573033373.db2.gz PMPYUPHEFDGRDE-SNVBAGLBSA-N 0 0 181.235 1.083 10 0 ADAERN CNOC/C=C/c1ccccn1 258471899 573033412 /nfs/dbraw/zinc/03/34/12/573033412.db2.gz AOKIUMWKWUSPGB-GQCTYLIASA-N 0 0 164.208 1.246 10 0 ADAERN CCCC[C@@H]1C(=O)CCC[C@H]1O 238250011 573033415 /nfs/dbraw/zinc/03/34/15/573033415.db2.gz XZYJNSJQVIYILW-DTWKUNHWSA-N 0 0 170.252 1.907 10 0 ADAERN CCOC(=O)[C@H](C)Cn1cnc(C)c1 259598019 573033426 /nfs/dbraw/zinc/03/34/26/573033426.db2.gz CPIDBYVDHMNGRJ-MRVPVSSYSA-N 0 0 196.250 1.391 10 0 ADAERN Cc1ccncc1CC[C@@H](C)O 85442968 573033436 /nfs/dbraw/zinc/03/34/36/573033436.db2.gz ZKTQRFXAOBKMMX-SECBINFHSA-N 0 0 165.236 1.703 10 0 ADAERN CCCC[C@@H]1C(=O)CCC[C@@H]1O 238249584 573033448 /nfs/dbraw/zinc/03/34/48/573033448.db2.gz XZYJNSJQVIYILW-IUCAKERBSA-N 0 0 170.252 1.907 10 0 ADAERN CCCCCOC(=O)CC[C@H](C)O 308235348 573033630 /nfs/dbraw/zinc/03/36/30/573033630.db2.gz QRJDWUJAJGFNLO-VIFPVBQESA-N 0 0 188.267 1.881 10 0 ADAERN C/C=C/C=C\c1nnc([C@H](C)N)o1 308235186 573033484 /nfs/dbraw/zinc/03/34/84/573033484.db2.gz VSOZAVWSOPBMJR-LRSRSJHMSA-N 0 0 179.223 1.679 10 0 ADAERN C[C@H](F)c1cc(=O)[nH]c(=S)[nH]1 36455948 573033492 /nfs/dbraw/zinc/03/34/92/573033492.db2.gz OIMOJWAQRGLWKW-VKHMYHEASA-N 0 0 174.200 1.463 10 0 ADAERN CCCCN1C(=O)C[C@@H](C)CNC1=O 87982450 573033679 /nfs/dbraw/zinc/03/36/79/573033679.db2.gz HJWCOZXTIFXGEI-MRVPVSSYSA-N 0 0 198.266 1.365 10 0 ADAERN Cc1nc([C@@H](N)C(F)(F)F)c[nH]1 104580254 573033520 /nfs/dbraw/zinc/03/35/20/573033520.db2.gz MXUJIGOIOHJZSE-RXMQYKEDSA-N 0 0 179.145 1.280 10 0 ADAERN CC1(C)C[C@H](O)C=CO1 238248536 573033525 /nfs/dbraw/zinc/03/35/25/573033525.db2.gz YOUWIUBFEKADKO-ZCFIWIBFSA-N 0 0 128.171 1.060 10 0 ADAERN COC[C@H](O)c1cnccc1C 85440983 573033528 /nfs/dbraw/zinc/03/35/28/573033528.db2.gz OBFLLMOVUPBCHA-VIFPVBQESA-N 0 0 167.208 1.070 10 0 ADAERN C[C@H](NCc1ncn(C)n1)C1(C)CC1 131859845 573033564 /nfs/dbraw/zinc/03/35/64/573033564.db2.gz GNHNUSBNTGMXPS-QMMMGPOBSA-N 0 0 194.282 1.093 10 0 ADAERN [NH3+][C@@H](CCO)c1ccc([S-])cc1 104578681 573033568 /nfs/dbraw/zinc/03/35/68/573033568.db2.gz LRRKVGMVKFGCNF-VIFPVBQESA-N 0 0 183.276 1.358 10 0 ADAERN CCNc1c(N)ccc(C)c1N 238249476 573033573 /nfs/dbraw/zinc/03/35/73/573033573.db2.gz UTTBFNJGGATHKT-UHFFFAOYSA-N 0 0 165.240 1.591 10 0 ADAERN CSc1nc(Cl)nnc1Cl 87968344 573033685 /nfs/dbraw/zinc/03/36/85/573033685.db2.gz OUPAYNKREIAEBW-UHFFFAOYSA-N 0 0 196.062 1.900 10 0 ADAERN Cc1noc(N[C@H](C)CC2CC2)n1 235445083 573033610 /nfs/dbraw/zinc/03/36/10/573033610.db2.gz LQDBFCOXYGYPJO-ZCFIWIBFSA-N 0 0 181.239 1.979 10 0 ADAERN Cc1ccc2c(c1)CO[C@H](CCO)O2 258230781 573033636 /nfs/dbraw/zinc/03/36/36/573033636.db2.gz PGRZVXZEIDEKDT-NSHDSACASA-N 0 0 194.230 1.613 10 0 ADAERN CCOC(=O)C1=CN[C@@H](C)CC1 238248681 573033638 /nfs/dbraw/zinc/03/36/38/573033638.db2.gz GOURANCXNTYVHT-ZETCQYMHSA-N 0 0 169.224 1.205 10 0 ADAERN CC[NH+](CC)CSCC(=O)[O-] 238248868 573033857 /nfs/dbraw/zinc/03/38/57/573033857.db2.gz LJMHOCANULDROS-UHFFFAOYSA-N 0 0 177.269 1.104 10 0 ADAERN COC[C@@](O)(c1ccc[nH]1)C(C)C 308235040 573033695 /nfs/dbraw/zinc/03/36/95/573033695.db2.gz VLKDZWYPQLYOBJ-JTQLQIEISA-N 0 0 183.251 1.505 10 0 ADAERN CSCC(=O)c1cnccc1C 85440839 573033707 /nfs/dbraw/zinc/03/37/07/573033707.db2.gz FAEHNARJTZAVRP-UHFFFAOYSA-N 0 0 181.260 1.936 10 0 ADAERN CC(=O)N[C@H]1CCC2=CCC[C@H]21 113883887 573033858 /nfs/dbraw/zinc/03/38/58/573033858.db2.gz VNBVGVACMQSATH-ZJUUUORDSA-N 0 0 165.236 1.621 10 0 ADAERN C1=CC[C@@H](COC2C[NH2+]C2)CC1 402195063 573033713 /nfs/dbraw/zinc/03/37/13/573033713.db2.gz IFWWSXOKXDSFED-SECBINFHSA-N 0 0 167.252 1.331 10 0 ADAERN CCOc1nc(Cl)nnc1Cl 87966954 573033714 /nfs/dbraw/zinc/03/37/14/573033714.db2.gz GINGXKCDGANVFU-UHFFFAOYSA-N 0 0 194.021 1.577 10 0 ADAERN CCc1cn(N)c2ncccc12 141816241 573033759 /nfs/dbraw/zinc/03/37/59/573033759.db2.gz DQJKFJXYEPJYBV-UHFFFAOYSA-N 0 0 161.208 1.313 10 0 ADAERN C/C=C/C=C\c1nnc([C@@H](C)N)o1 308235183 573033772 /nfs/dbraw/zinc/03/37/72/573033772.db2.gz VSOZAVWSOPBMJR-FRXMCEDWSA-N 0 0 179.223 1.679 10 0 ADAERN Cc1ccc(O)cc1[C@@H]([NH3+])CCO 104577436 573033774 /nfs/dbraw/zinc/03/37/74/573033774.db2.gz PMPYUPHEFDGRDE-JTQLQIEISA-N 0 0 181.235 1.083 10 0 ADAERN C/C=C/[C@H](N)C(F)(F)F 104579292 573033782 /nfs/dbraw/zinc/03/37/82/573033782.db2.gz BCKOZGHEGUWWQR-ZPYNKGFJSA-N 0 0 139.120 1.452 10 0 ADAERN CCCc1nn(CC(C)C)c(=O)o1 308235891 573033791 /nfs/dbraw/zinc/03/37/91/573033791.db2.gz QVMLCKHXNOFZMX-UHFFFAOYSA-N 0 0 184.239 1.445 10 0 ADAERN CC[C@@](C)(OC)[C@@H](O)c1ccc[nH]1 308235759 573033808 /nfs/dbraw/zinc/03/38/08/573033808.db2.gz VVSYNVXDZCAVES-VHSXEESVSA-N 0 0 183.251 1.863 10 0 ADAERN Cc1ccncc1[C@H](O)[C@H]1CCCO1 85441101 573033816 /nfs/dbraw/zinc/03/38/16/573033816.db2.gz UZCVNKHFOMUYBK-MNOVXSKESA-N 0 0 193.246 1.602 10 0 ADAERN CC[C@H](O)c1cnccc1C 85440383 573033850 /nfs/dbraw/zinc/03/38/50/573033850.db2.gz YQTINDJFSUVTGT-VIFPVBQESA-N 0 0 151.209 1.833 10 0 ADAERN CCOC(=O)NCc1occc1C 379391742 573033854 /nfs/dbraw/zinc/03/38/54/573033854.db2.gz QIGRQDGHNYFMLS-UHFFFAOYSA-N 0 0 183.207 1.834 10 0 ADAERN CCCNc1nc(C)nc2ccnn12 238248995 573034261 /nfs/dbraw/zinc/03/42/61/573034261.db2.gz XJUNNUIGVVRXRX-UHFFFAOYSA-N 0 0 191.238 1.255 10 0 ADAERN CC1N=C2CCCCC2NC1=O 238249010 573033867 /nfs/dbraw/zinc/03/38/67/573033867.db2.gz IBDHDLVZJSZYLO-SSDOTTSWSA-N 0 0 166.224 1.720 10 0 ADAERN CC(C)N1CCNc2cc(N)ccc21 257695963 573033876 /nfs/dbraw/zinc/03/38/76/573033876.db2.gz XDWIQTVSXGAYKE-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN COC(=O)[C@]12CCCC[C@@H]1C[C@H](O)C2 257925661 573033885 /nfs/dbraw/zinc/03/38/85/573033885.db2.gz YWKONZDVKDSEDX-YWVKMMECSA-N 0 0 198.262 1.491 10 0 ADAERN CCC[S@@](=N)(=O)N1CC[C@H](F)C1 689914899 573033900 /nfs/dbraw/zinc/03/39/00/573033900.db2.gz PXYHFIXUSROOSY-MADCSZMMSA-N 0 0 194.275 1.402 10 0 ADAERN C[C@@H]1OCC[C@H]1CNc1ccncn1 235442320 573033913 /nfs/dbraw/zinc/03/39/13/573033913.db2.gz AOLWDZZXDPWHHA-IUCAKERBSA-N 0 0 193.250 1.314 10 0 ADAERN CC1(C)C[C@H](O)[C@@H](O)C(C)(C)C1 238249101 573033938 /nfs/dbraw/zinc/03/39/38/573033938.db2.gz XTXNUTPAJGFLTE-JGVFFNPUSA-N 0 0 172.268 1.554 10 0 ADAERN Cc1ccncc1CC[C@H](C)O 85442971 573033940 /nfs/dbraw/zinc/03/39/40/573033940.db2.gz ZKTQRFXAOBKMMX-VIFPVBQESA-N 0 0 165.236 1.703 10 0 ADAERN CCN1N=C(C)CC[C@@H]1C(C)=O 238248619 573033953 /nfs/dbraw/zinc/03/39/53/573033953.db2.gz SVCDDYVDCNEHKM-SECBINFHSA-N 0 0 168.240 1.436 10 0 ADAERN CSC[C@H](O)c1cnccc1C 85441014 573033971 /nfs/dbraw/zinc/03/39/71/573033971.db2.gz JRGNTDJQRLLCSZ-VIFPVBQESA-N 0 0 183.276 1.786 10 0 ADAERN COC[C@](O)(c1ccc[nH]1)C(C)C 308235041 573033974 /nfs/dbraw/zinc/03/39/74/573033974.db2.gz VLKDZWYPQLYOBJ-SNVBAGLBSA-N 0 0 183.251 1.505 10 0 ADAERN CC1=C[C@@H](O)[C@](C)(CO)CC1 238249050 573033977 /nfs/dbraw/zinc/03/39/77/573033977.db2.gz OWKGPUZWYRUHKO-BDAKNGLRSA-N 0 0 156.225 1.086 10 0 ADAERN CC1(C)C[C@H](O)CCC12OCCO2 238248592 573033983 /nfs/dbraw/zinc/03/39/83/573033983.db2.gz KUKBKFBUENELFX-MRVPVSSYSA-N 0 0 186.251 1.301 10 0 ADAERN Cc1c(CCO)cnn1CC(C)C 257927156 573033985 /nfs/dbraw/zinc/03/39/85/573033985.db2.gz SHTJNXWUQSRUSH-UHFFFAOYSA-N 0 0 182.267 1.382 10 0 ADAERN CC(C)(C(N)=O)c1ccccc1O 113855732 573033996 /nfs/dbraw/zinc/03/39/96/573033996.db2.gz HEXBBJPWSJJWOQ-UHFFFAOYSA-N 0 0 179.219 1.155 10 0 ADAERN CCCCc1cc(N)n2nccc2n1 141820205 573034010 /nfs/dbraw/zinc/03/40/10/573034010.db2.gz WMLBPFXDYDINND-UHFFFAOYSA-N 0 0 190.250 1.654 10 0 ADAERN CCC[C@@H](O)C(=O)CCC1CC1 233297757 573034012 /nfs/dbraw/zinc/03/40/12/573034012.db2.gz VMMWCGWUYPJFEW-SECBINFHSA-N 0 0 170.252 1.907 10 0 ADAERN CN(C)c1nc(Cl)nnc1Cl 87967224 573034020 /nfs/dbraw/zinc/03/40/20/573034020.db2.gz GMWCPVHXGKHQGD-UHFFFAOYSA-N 0 0 193.037 1.244 10 0 ADAERN Cc1cc(C)n(C2CC2)n1 23876827 573034026 /nfs/dbraw/zinc/03/40/26/573034026.db2.gz RHJOWJICRRERFK-UHFFFAOYSA-N 0 0 136.198 1.835 10 0 ADAERN CCCc1nc2c(C)cccn2n1 257926397 573034038 /nfs/dbraw/zinc/03/40/38/573034038.db2.gz IPQGIPNMUJMJSN-UHFFFAOYSA-N 0 0 175.235 1.990 10 0 ADAERN O=S1(=O)CCC[C@H]1Cn1cccc1 87972371 573034042 /nfs/dbraw/zinc/03/40/42/573034042.db2.gz PHDNMVZONIFOBF-VIFPVBQESA-N 0 0 199.275 1.065 10 0 ADAERN CC(C)c1noc(C[C@H](C)O)n1 82430400 573034277 /nfs/dbraw/zinc/03/42/77/573034277.db2.gz SWKBLLKDEWPLBM-LURJTMIESA-N 0 0 170.212 1.116 10 0 ADAERN O=S1(=O)CCC[C@@H]1Cn1cccc1 87972372 573034057 /nfs/dbraw/zinc/03/40/57/573034057.db2.gz PHDNMVZONIFOBF-SECBINFHSA-N 0 0 199.275 1.065 10 0 ADAERN CCCCn1cc(N)cc1C(=O)OC 41040293 573034058 /nfs/dbraw/zinc/03/40/58/573034058.db2.gz ACLORKBMNUQMCT-UHFFFAOYSA-N 0 0 196.250 1.657 10 0 ADAERN CC(C)OC(=O)NC(C)(C)[C@@H](C)O 128491254 573034073 /nfs/dbraw/zinc/03/40/73/573034073.db2.gz SISMROODFYUFSJ-SSDOTTSWSA-N 0 0 189.255 1.280 10 0 ADAERN CC(C)Cc1noc([C@@H](C)O)n1 82430350 573034083 /nfs/dbraw/zinc/03/40/83/573034083.db2.gz HMSKDEQQSNMVDV-ZCFIWIBFSA-N 0 0 170.212 1.321 10 0 ADAERN C[NH2+][C@@H](CC(C)C)C1(C(=O)[O-])CCC1 259316984 573034096 /nfs/dbraw/zinc/03/40/96/573034096.db2.gz RGOLCLCXYFZQCR-VIFPVBQESA-N 0 0 199.294 1.875 10 0 ADAERN OCC(F)(F)C[C@@H]1CCCOC1 257927117 573034283 /nfs/dbraw/zinc/03/42/83/573034283.db2.gz SHGPXWPTYRGAPG-ZETCQYMHSA-N 0 0 180.194 1.431 10 0 ADAERN CCOc1cccn2c(C=O)cnc12 77002171 573034128 /nfs/dbraw/zinc/03/41/28/573034128.db2.gz KKEWCJURKGPFPL-UHFFFAOYSA-N 0 0 190.202 1.546 10 0 ADAERN CCc1ccn(-c2cnccn2)n1 87969723 573034169 /nfs/dbraw/zinc/03/41/69/573034169.db2.gz OWZZAQFSAWFQDV-UHFFFAOYSA-N 0 0 174.207 1.225 10 0 ADAERN CCc1nc(CC)c(C)c(NC)n1 82443330 573034181 /nfs/dbraw/zinc/03/41/81/573034181.db2.gz MZQIFKRGAQNFHY-UHFFFAOYSA-N 0 0 179.267 1.952 10 0 ADAERN Cc1cc2n[nH]c(N)c2c(C)n1 87975763 573034231 /nfs/dbraw/zinc/03/42/31/573034231.db2.gz MKVINBFLVRXOEG-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN CCCNc1nc(C)c(N)c(C)n1 238248924 573034232 /nfs/dbraw/zinc/03/42/32/573034232.db2.gz RWHBBUNALYLBRP-UHFFFAOYSA-N 0 0 180.255 1.498 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CCC[C@@H]1C 82432735 573034238 /nfs/dbraw/zinc/03/42/38/573034238.db2.gz GGKBDMLLJOAMCS-AFRAPRFESA-N 0 0 167.252 1.867 10 0 ADAERN COc1cnccc1[C@@H](C)O 113876918 573034243 /nfs/dbraw/zinc/03/42/43/573034243.db2.gz YVKAHZRJONXRCW-ZCFIWIBFSA-N 0 0 153.181 1.144 10 0 ADAERN CC1(C)C[C@H](O)[C@H](O)C(C)(C)C1 238249425 573034252 /nfs/dbraw/zinc/03/42/52/573034252.db2.gz XTXNUTPAJGFLTE-YUMQZZPRSA-N 0 0 172.268 1.554 10 0 ADAERN COC(=O)[C@@H](C)Cc1cnco1 259597763 573034847 /nfs/dbraw/zinc/03/48/47/573034847.db2.gz CMBRNAVETDLOMC-LURJTMIESA-N 0 0 169.180 1.026 10 0 ADAERN C[C@H]1OCC[C@H]1Cn1cncc1C=O 235690286 573034297 /nfs/dbraw/zinc/03/42/97/573034297.db2.gz GALBNEMSZQSDJO-BDAKNGLRSA-N 0 0 194.234 1.121 10 0 ADAERN CCc1nc(CSC)nc(N)c1C 82443163 573034336 /nfs/dbraw/zinc/03/43/36/573034336.db2.gz AUCIANCWULLQIP-UHFFFAOYSA-N 0 0 197.307 1.793 10 0 ADAERN CC(C)(CO)c1cccc(CNO)c1 259316771 573034340 /nfs/dbraw/zinc/03/43/40/573034340.db2.gz DJGOEWCGEAAZKD-UHFFFAOYSA-N 0 0 195.262 1.435 10 0 ADAERN CC1(C)C[C@H](O)[C@]2(C)[C@H](CO)[C@H]12 238249637 573034344 /nfs/dbraw/zinc/03/43/44/573034344.db2.gz JFOUPSUZKRTLIX-JIOCBJNQSA-N 0 0 170.252 1.022 10 0 ADAERN CCn1cc(N)nc1COC(C)C 257927331 573034347 /nfs/dbraw/zinc/03/43/47/573034347.db2.gz SJUFZJXEQUJAQH-UHFFFAOYSA-N 0 0 183.255 1.410 10 0 ADAERN C[C@@H](O)c1nc(-c2ccccn2)no1 82431939 573034348 /nfs/dbraw/zinc/03/43/48/573034348.db2.gz HXTRXFQEBQJTKR-ZCFIWIBFSA-N 0 0 191.190 1.185 10 0 ADAERN CC1=C[C@@H](O)n2nnc3cccc1c32 238249105 573034373 /nfs/dbraw/zinc/03/43/73/573034373.db2.gz MHOQXAGTDRNDSQ-SECBINFHSA-N 0 0 187.202 1.339 10 0 ADAERN C/C=C/COC(=O)CN(CC)CC 308232626 573034367 /nfs/dbraw/zinc/03/43/67/573034367.db2.gz POPCRINCMQGWHT-QPJJXVBHSA-N 0 0 185.267 1.448 10 0 ADAERN O=Cc1coc(-c2cccnc2)n1 257925376 573034393 /nfs/dbraw/zinc/03/43/93/573034393.db2.gz DMSZEDQGHXEVDH-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN O=C1CC(O)(c2ccccc2)C1 113856069 573034415 /nfs/dbraw/zinc/03/44/15/573034415.db2.gz WXNYEKMHBATQNN-UHFFFAOYSA-N 0 0 162.188 1.237 10 0 ADAERN C[C@@H](NCc1ncn(C)n1)C1(C)CC1 131860053 573034418 /nfs/dbraw/zinc/03/44/18/573034418.db2.gz GNHNUSBNTGMXPS-MRVPVSSYSA-N 0 0 194.282 1.093 10 0 ADAERN CC1(C)C[C@H](O)C[C@@](C)(Cl)C1=O 238248740 573034424 /nfs/dbraw/zinc/03/44/24/573034424.db2.gz CPPNVAVUXAALJZ-IMTBSYHQSA-N 0 0 190.670 1.734 10 0 ADAERN CC1(C)NC(=O)[C@@]2(CC=CCC2)O1 238249726 573034445 /nfs/dbraw/zinc/03/44/45/573034445.db2.gz VVJQZIHTKQHKNW-JTQLQIEISA-N 0 0 181.235 1.348 10 0 ADAERN N[C@H](C1=COCCC1)C(F)(F)F 104581278 573034450 /nfs/dbraw/zinc/03/44/50/573034450.db2.gz KCHUCFHLOKSSEY-ZCFIWIBFSA-N 0 0 181.157 1.570 10 0 ADAERN CNc1ncc(C(C)(C)C)cn1 82442157 573034455 /nfs/dbraw/zinc/03/44/55/573034455.db2.gz HSSQDRDQRKOGOQ-UHFFFAOYSA-N 0 0 165.240 1.816 10 0 ADAERN CCO[C@H](CC)[C@@H](O)c1ccc[nH]1 308235772 573034464 /nfs/dbraw/zinc/03/44/64/573034464.db2.gz VWDZHODTLLPDGV-ZJUUUORDSA-N 0 0 183.251 1.863 10 0 ADAERN COC(=O)[C@]12CCCC[C@H]1C[C@@H](O)C2 257925659 573034469 /nfs/dbraw/zinc/03/44/69/573034469.db2.gz YWKONZDVKDSEDX-NGZCFLSTSA-N 0 0 198.262 1.491 10 0 ADAERN CC(C)c1noc([C@@H](C)O)n1 82430395 573034952 /nfs/dbraw/zinc/03/49/52/573034952.db2.gz PFBBOMWBOOPQDL-RXMQYKEDSA-N 0 0 156.185 1.246 10 0 ADAERN C[C@@H](O)Cc1nc(-c2ccco2)no1 82430491 573034496 /nfs/dbraw/zinc/03/44/96/573034496.db2.gz ADVWWCXGFJPBGN-ZCFIWIBFSA-N 0 0 194.190 1.253 10 0 ADAERN Cc1cc(N(C)C)c(C(=O)[O-])c(C)[nH+]1 87975663 573034511 /nfs/dbraw/zinc/03/45/11/573034511.db2.gz RIXWELIAGBTDRC-UHFFFAOYSA-N 0 0 194.234 1.463 10 0 ADAERN CCCC(C)=C=CCO 238249043 573034512 /nfs/dbraw/zinc/03/45/12/573034512.db2.gz FDNBLGWUIOLVPZ-UHFFFAOYSA-N 0 0 126.199 1.880 10 0 ADAERN CC/C=C\C(=O)O[C@@H](C)CCOC 308235412 573034517 /nfs/dbraw/zinc/03/45/17/573034517.db2.gz QSSGZDXLYWLGIQ-UDIARPCQSA-N 0 0 186.251 1.921 10 0 ADAERN CC1=C[C@@H](O)[C@@](C)(CO)CC1 238248801 573034536 /nfs/dbraw/zinc/03/45/36/573034536.db2.gz OWKGPUZWYRUHKO-RKDXNWHRSA-N 0 0 156.225 1.086 10 0 ADAERN CCOC(=O)[C@@](C)(C(C)C)[C@@H](C)O 308235750 573034590 /nfs/dbraw/zinc/03/45/90/573034590.db2.gz VVAYTCVTURQWSE-SCZZXKLOSA-N 0 0 188.267 1.593 10 0 ADAERN O[C@H]1CCC[C@@H]1Sc1cnccn1 82433339 573034637 /nfs/dbraw/zinc/03/46/37/573034637.db2.gz VJLBVNUKZASOEU-YUMQZZPRSA-N 0 0 196.275 1.482 10 0 ADAERN Nc1c2c(nc3ccnn13)CCCC2 141820453 573034638 /nfs/dbraw/zinc/03/46/38/573034638.db2.gz YGXRUWSZURZEDV-UHFFFAOYSA-N 0 0 188.234 1.190 10 0 ADAERN CC1=C[C@@H]2C(=O)N[C@H]1c1ccccc12 238249411 573034658 /nfs/dbraw/zinc/03/46/58/573034658.db2.gz YJBUZYGZKYGZCH-WDEREUQCSA-N 0 0 185.226 1.901 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1cncc(N)n1 82432287 573034666 /nfs/dbraw/zinc/03/46/66/573034666.db2.gz NSESTTNMULIOSW-YUMQZZPRSA-N 0 0 192.266 1.659 10 0 ADAERN Cc1cc(C2CC(=O)C2)on1 113849661 573035109 /nfs/dbraw/zinc/03/51/09/573035109.db2.gz NIWQDSGHLSBPDX-UHFFFAOYSA-N 0 0 151.165 1.430 10 0 ADAERN COC(=O)Cc1ncc(C(C)C)o1 259597835 573034684 /nfs/dbraw/zinc/03/46/84/573034684.db2.gz CNEGNMHNNODNPS-UHFFFAOYSA-N 0 0 183.207 1.514 10 0 ADAERN Cc1cc(Cl)n(-c2cnccn2)n1 87969691 573034687 /nfs/dbraw/zinc/03/46/87/573034687.db2.gz LQKBBQCOIROWSF-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1nc(C=O)oc1C(F)(F)F 257926994 573034689 /nfs/dbraw/zinc/03/46/89/573034689.db2.gz SFUAOTZTNRJMJJ-UHFFFAOYSA-N 0 0 179.097 1.814 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1cncc(N)n1 82432288 573034692 /nfs/dbraw/zinc/03/46/92/573034692.db2.gz NSESTTNMULIOSW-HTQZYQBOSA-N 0 0 192.266 1.659 10 0 ADAERN CCC[S@](=N)(=O)N1CC[C@@H](F)C1 689914892 573034694 /nfs/dbraw/zinc/03/46/94/573034694.db2.gz PXYHFIXUSROOSY-JMCQJSRRSA-N 0 0 194.275 1.402 10 0 ADAERN COCCn1nccc1[Si](C)(C)C 308235189 573035150 /nfs/dbraw/zinc/03/51/50/573035150.db2.gz VSUCJENQHZOKLJ-UHFFFAOYSA-N 0 0 198.342 1.075 10 0 ADAERN CC1(C)C[C@H](O)OC1(C)C 238248929 573034768 /nfs/dbraw/zinc/03/47/68/573034768.db2.gz NPHCKBNQXOQOEQ-ZCFIWIBFSA-N 0 0 144.214 1.530 10 0 ADAERN Cc1cc(-c2ccc[nH]2)nc(C=O)n1 259316239 573034776 /nfs/dbraw/zinc/03/47/76/573034776.db2.gz NZJHDHLHCIXRRR-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN CC1(C)CCCN1C(=O)C(F)(F)F 82432145 573034789 /nfs/dbraw/zinc/03/47/89/573034789.db2.gz SAXMCAKXZLOIQM-UHFFFAOYSA-N 0 0 195.184 1.950 10 0 ADAERN CC(C)[C@H](CO)O[C@H]1CCCCO1 308236418 573034790 /nfs/dbraw/zinc/03/47/90/573034790.db2.gz WESIUVPDRGPSBU-UWVGGRQHSA-N 0 0 188.267 1.547 10 0 ADAERN CCOC(=O)[C@H]1CCc2ncn(C)c21 259597982 573034792 /nfs/dbraw/zinc/03/47/92/573034792.db2.gz COXOTZNFWADSAU-ZETCQYMHSA-N 0 0 194.234 1.013 10 0 ADAERN N[C@H]([C@@H]1CCC=CO1)C(F)(F)F 104580826 573034793 /nfs/dbraw/zinc/03/47/93/573034793.db2.gz QNEYPKDQBXHPKZ-NTSWFWBYSA-N 0 0 181.157 1.569 10 0 ADAERN CC1=C[C@@H](O)[C@H](CCO)CC1 238248899 573034815 /nfs/dbraw/zinc/03/48/15/573034815.db2.gz CIIAGCLDIZNHMD-DTWKUNHWSA-N 0 0 156.225 1.086 10 0 ADAERN CCO[C@H]1C[C@@H]1C(=O)c1nccn1C 689914819 573034831 /nfs/dbraw/zinc/03/48/31/573034831.db2.gz FFPUVXVOVZNVRJ-YUMQZZPRSA-N 0 0 194.234 1.028 10 0 ADAERN C[C@H](ON)[C@H]1CCCS1 259316438 573034853 /nfs/dbraw/zinc/03/48/53/573034853.db2.gz CJZYZPGCDNUNOW-NTSWFWBYSA-N 0 0 147.243 1.161 10 0 ADAERN CCNc1ncnc(CC)c1C 82443921 573034859 /nfs/dbraw/zinc/03/48/59/573034859.db2.gz GXHZSXOKVSGSMI-UHFFFAOYSA-N 0 0 165.240 1.779 10 0 ADAERN Cc1cc([C@H](N)C(F)(F)F)no1 104580814 573034869 /nfs/dbraw/zinc/03/48/69/573034869.db2.gz CKLHHMZFSXMEDN-YFKPBYRVSA-N 0 0 180.129 1.545 10 0 ADAERN Cc1noc([C@@H]2CCCC[C@@H]2O)n1 82430381 573034870 /nfs/dbraw/zinc/03/48/70/573034870.db2.gz WRKYJNJXGXCPDQ-SFYZADRCSA-N 0 0 182.223 1.397 10 0 ADAERN NC(=O)C1(c2ccccc2O)CCC1 113857579 573034901 /nfs/dbraw/zinc/03/49/01/573034901.db2.gz ZVRJIZPDQLOSFH-UHFFFAOYSA-N 0 0 191.230 1.299 10 0 ADAERN CNc1cc(C)[nH+]c(C)c1C(=O)[O-] 87975636 573034906 /nfs/dbraw/zinc/03/49/06/573034906.db2.gz MJGFXAANAFPMKY-UHFFFAOYSA-N 0 0 180.207 1.438 10 0 ADAERN COC(=O)CCCc1ocnc1C 259597814 573034912 /nfs/dbraw/zinc/03/49/12/573034912.db2.gz CMTLIINETRGFNA-UHFFFAOYSA-N 0 0 183.207 1.479 10 0 ADAERN CC(C)c1noc(C[C@@H](C)O)n1 82430398 573034927 /nfs/dbraw/zinc/03/49/27/573034927.db2.gz SWKBLLKDEWPLBM-ZCFIWIBFSA-N 0 0 170.212 1.116 10 0 ADAERN Cc1cc2c(cc1C(=O)[O-])[C@@H]([NH3+])CC2 141784053 573034932 /nfs/dbraw/zinc/03/49/32/573034932.db2.gz YKPWOLLABDRWIW-JTQLQIEISA-N 0 0 191.230 1.639 10 0 ADAERN COc1ccc(C)c2c1NC(=O)CC2 113825566 573034959 /nfs/dbraw/zinc/03/49/59/573034959.db2.gz HSKSWGLJHWCXIX-UHFFFAOYSA-N 0 0 191.230 1.888 10 0 ADAERN CC(=O)Cc1nc(-c2ccco2)no1 82430248 573034961 /nfs/dbraw/zinc/03/49/61/573034961.db2.gz MBYZVKUQOJKNQJ-UHFFFAOYSA-N 0 0 192.174 1.461 10 0 ADAERN CC1=C[C@@H]([C@@H](O)C(C)(C)C)OC1=O 238249181 573034968 /nfs/dbraw/zinc/03/49/68/573034968.db2.gz ZWTYBIHCBFMDTD-JGVFFNPUSA-N 0 0 184.235 1.265 10 0 ADAERN FC(F)c1ccn(-c2cnccn2)n1 87969715 573034985 /nfs/dbraw/zinc/03/49/85/573034985.db2.gz LTEPVPRPDPVWSM-UHFFFAOYSA-N 0 0 196.160 1.600 10 0 ADAERN CC1(C)C[C@]1(C)C1CC(=O)NC(=O)C1 717069253 573034988 /nfs/dbraw/zinc/03/49/88/573034988.db2.gz SXLZUYJHYMGMGE-LLVKDONJSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1OCC[C@H]1CNc1cccnn1 235441808 573034994 /nfs/dbraw/zinc/03/49/94/573034994.db2.gz XEXJCVZBKYSDHR-IUCAKERBSA-N 0 0 193.250 1.314 10 0 ADAERN C[C@@H](O)c1coc(-c2ccncc2)n1 257927054 573034998 /nfs/dbraw/zinc/03/49/98/573034998.db2.gz DQYCIYQAEDGHAT-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN CC1=C[C@@H](O)[C@](C)(Cl)C1 238249062 573035019 /nfs/dbraw/zinc/03/50/19/573035019.db2.gz MIMAVYWFHOCNLG-RNFRBKRXSA-N 0 0 146.617 1.695 10 0 ADAERN CO[C@H]1CCNc2cccc(O)c21 257925728 573035050 /nfs/dbraw/zinc/03/50/50/573035050.db2.gz SBSMHEZWLQDTBE-VIFPVBQESA-N 0 0 179.219 1.895 10 0 ADAERN Cc1noc([C@@H](CO)C(C)(C)C)n1 113840813 573035071 /nfs/dbraw/zinc/03/50/71/573035071.db2.gz OPHGKMCXDRLHCJ-SSDOTTSWSA-N 0 0 184.239 1.500 10 0 ADAERN C[NH2+][C@@H](C1CCCCC1)[C@@H](C)C(=O)[O-] 259315857 573035082 /nfs/dbraw/zinc/03/50/82/573035082.db2.gz JMNXRNURIWNWJN-PSASIEDQSA-N 0 0 199.294 1.875 10 0 ADAERN C=Cc1ccccc1[C@@H]([NH3+])C(=O)[O-] 104581147 573035085 /nfs/dbraw/zinc/03/50/85/573035085.db2.gz HGXMBYDYKWXJNH-SECBINFHSA-N 0 0 177.203 1.414 10 0 ADAERN CCCCSc1cc(=O)c1=O 238249226 573035086 /nfs/dbraw/zinc/03/50/86/573035086.db2.gz CEBOPGYJCLTZPY-UHFFFAOYSA-N 0 0 170.233 1.175 10 0 ADAERN CCC[C@H]1[C@@H]2C=C[C@@H](CC2=O)N1C 238249431 573035125 /nfs/dbraw/zinc/03/51/25/573035125.db2.gz PJHCTSSAAIALET-GUBZILKMSA-N 0 0 179.263 1.614 10 0 ADAERN CC[C@H]1NCN(C[C@H](C)C(C)C)C1=O 128448788 573035141 /nfs/dbraw/zinc/03/51/41/573035141.db2.gz INGIFACZJFUJLS-VHSXEESVSA-N 0 0 198.310 1.446 10 0 ADAERN CCC(=O)[C@@H](C)CCOC 82442485 573035172 /nfs/dbraw/zinc/03/51/72/573035172.db2.gz YGSZJZNPUJYLOK-ZETCQYMHSA-N 0 0 144.214 1.638 10 0 ADAERN CCCC(C)(C)[S@@](=O)N(C)C 238248709 573035179 /nfs/dbraw/zinc/03/51/79/573035179.db2.gz ZQJLCWODJNCWHD-LLVKDONJSA-N 0 0 177.313 1.790 10 0 ADAERN CCc1nc(NC)ncc1C 82442099 573035180 /nfs/dbraw/zinc/03/51/80/573035180.db2.gz WOGRZCYNUPOYPN-UHFFFAOYSA-N 0 0 151.213 1.389 10 0 ADAERN CCOc1c(F)ccc(C=O)c1O 113879619 573035210 /nfs/dbraw/zinc/03/52/10/573035210.db2.gz JTSUVTDLJPIHIX-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN CC/C=C\C(=O)O[C@H](C)CCOC 308235410 573035213 /nfs/dbraw/zinc/03/52/13/573035213.db2.gz QSSGZDXLYWLGIQ-SSJHQANKSA-N 0 0 186.251 1.921 10 0 ADAERN COC(=O)[C@H](C)Cc1cnco1 259597766 573035222 /nfs/dbraw/zinc/03/52/22/573035222.db2.gz CMBRNAVETDLOMC-ZCFIWIBFSA-N 0 0 169.180 1.026 10 0 ADAERN CC1(C)[C@@H]2C(=O)O[C@@]1(C)CC[C@@H]2CO 238249797 573035251 /nfs/dbraw/zinc/03/52/51/573035251.db2.gz KIGHQPXDNIITEU-FYBVGQRMSA-N 0 0 198.262 1.347 10 0 ADAERN CC/C=C/C(=O)O[C@@H](C)CCOC 308235409 573035268 /nfs/dbraw/zinc/03/52/68/573035268.db2.gz QSSGZDXLYWLGIQ-CYNONHLPSA-N 0 0 186.251 1.921 10 0 ADAERN CC1(C)C[C@H](O)[C@H](CO)C(C)(C)C1 238249378 573035314 /nfs/dbraw/zinc/03/53/14/573035314.db2.gz FKTHUHHTKHXWTO-IUCAKERBSA-N 0 0 186.295 1.802 10 0 ADAERN C[C@H]1NC2(CC2)C(=O)N1CC1(C)CC1 235690438 573035317 /nfs/dbraw/zinc/03/53/17/573035317.db2.gz IBWBSDWFDMVNPA-QMMMGPOBSA-N 0 0 194.278 1.097 10 0 ADAERN Cc1cccc([C@@H](C)O)c1O 259316576 573035333 /nfs/dbraw/zinc/03/53/33/573035333.db2.gz CLVBAQFQFCNSHZ-SSDOTTSWSA-N 0 0 152.193 1.754 10 0 ADAERN C[C@@H](O)c1nc(-c2ccsc2)no1 82430449 573035349 /nfs/dbraw/zinc/03/53/49/573035349.db2.gz MQVNJXMKYGOJFW-RXMQYKEDSA-N 0 0 196.231 1.851 10 0 ADAERN Cc1cc2c(cn1)CCCC2=O 113819825 573035371 /nfs/dbraw/zinc/03/53/71/573035371.db2.gz DUOUVSJLROVILE-UHFFFAOYSA-N 0 0 161.204 1.909 10 0 ADAERN C/C=C/[C@@H](NC)C(F)(F)F 104581982 573035381 /nfs/dbraw/zinc/03/53/81/573035381.db2.gz QPAZPNYRABVLBJ-QLSVQJPWSA-N 0 0 153.147 1.713 10 0 ADAERN C/C=C\COC(=O)CN(CC)CC 308232625 573035433 /nfs/dbraw/zinc/03/54/33/573035433.db2.gz POPCRINCMQGWHT-DAXSKMNVSA-N 0 0 185.267 1.448 10 0 ADAERN CNc1ncc2c(n1)[C@H](C)CCC2 82442155 573035436 /nfs/dbraw/zinc/03/54/36/573035436.db2.gz JUIKJVOHFKTPTK-SSDOTTSWSA-N 0 0 177.251 1.958 10 0 ADAERN CCN1O[C@@H]1c1ccc(C=O)cc1 238248887 573035444 /nfs/dbraw/zinc/03/54/44/573035444.db2.gz ZDNMPIBTIIOJMM-NFJWQWPMSA-N 0 0 177.203 1.765 10 0 ADAERN CCON=C1CCCCCN1 82435526 573035445 /nfs/dbraw/zinc/03/54/45/573035445.db2.gz GOZBTUMIEDJSOC-UHFFFAOYSA-N 0 0 156.229 1.500 10 0 ADAERN OCCn1cc(CO)c2ccccc21 77009368 573035449 /nfs/dbraw/zinc/03/54/49/573035449.db2.gz CMGLGRXNNQSHFC-UHFFFAOYSA-N 0 0 191.230 1.126 10 0 ADAERN CC1(C)OC(=O)N2CCC[C@H]21 104581492 573035484 /nfs/dbraw/zinc/03/54/84/573035484.db2.gz NONCGJNSIDCJOH-LURJTMIESA-N 0 0 155.197 1.380 10 0 ADAERN Cc1[nH]c(=O)oc1C(F)(F)F 258472503 573035486 /nfs/dbraw/zinc/03/54/86/573035486.db2.gz IIMSNWRSSBVUHE-UHFFFAOYSA-N 0 0 167.086 1.707 10 0 ADAERN C[C@@H]1CC(=O)N(C(=O)OC(C)(C)C)C1 113823980 573035491 /nfs/dbraw/zinc/03/54/91/573035491.db2.gz IFGUVHBGNIDWDJ-SSDOTTSWSA-N 0 0 199.250 1.790 10 0 ADAERN N[C@@H]([C@@H]1CCC=CO1)C(F)(F)F 104580822 573035494 /nfs/dbraw/zinc/03/54/94/573035494.db2.gz QNEYPKDQBXHPKZ-WDSKDSINSA-N 0 0 181.157 1.569 10 0 ADAERN C[C@H](CO)CC1(C)COC1 258471964 573035502 /nfs/dbraw/zinc/03/55/02/573035502.db2.gz APQLVOMGYPIIIS-ZETCQYMHSA-N 0 0 144.214 1.041 10 0 ADAERN CC1(C)C[C@H](O)C[C@]2(C)OC(=O)C[C@@H]12 238248873 573035504 /nfs/dbraw/zinc/03/55/04/573035504.db2.gz GYOWDLAZKXQGMU-LAEOZQHASA-N 0 0 198.262 1.489 10 0 ADAERN CC[C@@H](O)[C@@H](C)c1ccccn1 82444274 573035513 /nfs/dbraw/zinc/03/55/13/573035513.db2.gz FKNKHMDYTJALBZ-WCBMZHEXSA-N 0 0 165.236 1.956 10 0 ADAERN CCc1nc(C)nc(NC)c1C 82443329 573035522 /nfs/dbraw/zinc/03/55/22/573035522.db2.gz XPMZGPQTKUWPCZ-UHFFFAOYSA-N 0 0 165.240 1.698 10 0 ADAERN CC1(C)C[C@H](O)[C@@H](CO)C(C)(C)C1 238249054 573035632 /nfs/dbraw/zinc/03/56/32/573035632.db2.gz FKTHUHHTKHXWTO-BDAKNGLRSA-N 0 0 186.295 1.802 10 0 ADAERN CCc1cccc(N)c1CC(=O)OC 259597885 573035546 /nfs/dbraw/zinc/03/55/46/573035546.db2.gz CNWFRJMMYCQPMT-UHFFFAOYSA-N 0 0 193.246 1.547 10 0 ADAERN O=Cc1cnc(C[C@H]2CCCOC2)o1 257926773 573035551 /nfs/dbraw/zinc/03/55/51/573035551.db2.gz DOLCMKRFKWPKER-MRVPVSSYSA-N 0 0 195.218 1.456 10 0 ADAERN CCC[C@@H](O)[C@H](O)c1ccoc1 233299604 573035557 /nfs/dbraw/zinc/03/55/57/573035557.db2.gz MEQKPDUOEYOIMS-RKDXNWHRSA-N 0 0 170.208 1.474 10 0 ADAERN OC/C=C/C=C\c1ccc[nH]1 211934021 573035559 /nfs/dbraw/zinc/03/55/59/573035559.db2.gz PZSMGBXPUKTMOQ-MWMWYHAWSA-N 0 0 149.193 1.576 10 0 ADAERN Cc1nc2c(N)c(C)nn2c(C)c1C 113886838 573035597 /nfs/dbraw/zinc/03/55/97/573035597.db2.gz LLXWGLIXRKIACT-UHFFFAOYSA-N 0 0 190.250 1.545 10 0 ADAERN CCCc1cnc(NC)nc1 82442136 573035605 /nfs/dbraw/zinc/03/56/05/573035605.db2.gz HYVIPTBBBJTIQY-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN CNc1ncc2c(n1)CC[C@@H](C)C2 82442103 573035612 /nfs/dbraw/zinc/03/56/12/573035612.db2.gz GOAIGYWICYSOTL-SSDOTTSWSA-N 0 0 177.251 1.643 10 0 ADAERN CCOC(=O)[C@@H]1CCc2ncn(C)c21 259597978 573035613 /nfs/dbraw/zinc/03/56/13/573035613.db2.gz COXOTZNFWADSAU-SSDOTTSWSA-N 0 0 194.234 1.013 10 0 ADAERN CCC[C@@H](O)[C@H](O)c1ccsc1 233299605 573035648 /nfs/dbraw/zinc/03/56/48/573035648.db2.gz PBIMHUWKWKZZLN-RKDXNWHRSA-N 0 0 186.276 1.943 10 0 ADAERN CCCC(=O)O[C@H]1CCC[C@H]1OC 308235933 573035651 /nfs/dbraw/zinc/03/56/51/573035651.db2.gz QXUZVDRVHUDQKS-BDAKNGLRSA-N 0 0 186.251 1.897 10 0 ADAERN C[C@H](O)c1coc(-c2ccncc2)n1 257927057 573035654 /nfs/dbraw/zinc/03/56/54/573035654.db2.gz DQYCIYQAEDGHAT-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN COC[C@H]1CNc2ccc(F)cc2N1 88002006 573035655 /nfs/dbraw/zinc/03/56/55/573035655.db2.gz YIOMOHUVQKQLEW-MRVPVSSYSA-N 0 0 196.225 1.678 10 0 ADAERN CC1(C)N=C(c2ccco2)C(=S)N1 238250018 573035656 /nfs/dbraw/zinc/03/56/56/573035656.db2.gz VPIGHHYADZUWJP-UHFFFAOYSA-N 0 0 194.259 1.735 10 0 ADAERN C[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]12 141813750 573035658 /nfs/dbraw/zinc/03/56/58/573035658.db2.gz MJLAOVZVESNDMT-BIIVOSGPSA-N 0 0 153.225 1.311 10 0 ADAERN CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C[C@@H]12 238248769 573035662 /nfs/dbraw/zinc/03/56/62/573035662.db2.gz GYOWDLAZKXQGMU-DKCNOQQISA-N 0 0 198.262 1.489 10 0 ADAERN N[C@@H](C1=COCCC1)C(F)(F)F 104581275 573035679 /nfs/dbraw/zinc/03/56/79/573035679.db2.gz KCHUCFHLOKSSEY-LURJTMIESA-N 0 0 181.157 1.570 10 0 ADAERN CCCC(=O)O[C@H]1CCC[C@@H]1OC 308235935 573035693 /nfs/dbraw/zinc/03/56/93/573035693.db2.gz QXUZVDRVHUDQKS-IUCAKERBSA-N 0 0 186.251 1.897 10 0 ADAERN CC[C@](C)(C[NH+]1CC2(CC2)C1)C(=O)[O-] 128430831 573035702 /nfs/dbraw/zinc/03/57/02/573035702.db2.gz SPRKBOUGPCMFNI-SNVBAGLBSA-N 0 0 197.278 1.583 10 0 ADAERN CCOC(=O)CCC(=O)c1ccon1 259597962 573035704 /nfs/dbraw/zinc/03/57/04/573035704.db2.gz COTIQEBWRNTINJ-UHFFFAOYSA-N 0 0 197.190 1.201 10 0 ADAERN CCOC(=O)[C@@H](C)Cn1cnc(C)c1 259598023 573035713 /nfs/dbraw/zinc/03/57/13/573035713.db2.gz CPIDBYVDHMNGRJ-QMMMGPOBSA-N 0 0 196.250 1.391 10 0 ADAERN COCN(C=O)c1ccccc1 36466383 573035720 /nfs/dbraw/zinc/03/57/20/573035720.db2.gz QCDAFOVKCKVZLW-UHFFFAOYSA-N 0 0 165.192 1.253 10 0 ADAERN Cc1ccc(NCCCO)cc1O 113868985 573035751 /nfs/dbraw/zinc/03/57/51/573035751.db2.gz XOVBEQRPIHPGPO-UHFFFAOYSA-N 0 0 181.235 1.495 10 0 ADAERN O=C1C=C(O)[C@H]2C3CCC(CC3)[C@H]12 113850171 573035781 /nfs/dbraw/zinc/03/57/81/573035781.db2.gz LCFPDWOETCYJTM-VMLKCIBOSA-N 0 0 178.231 1.581 10 0 ADAERN N[C@@H]([C@H]1CCC=CO1)C(F)(F)F 104580820 573035782 /nfs/dbraw/zinc/03/57/82/573035782.db2.gz QNEYPKDQBXHPKZ-RITPCOANSA-N 0 0 181.157 1.569 10 0 ADAERN O[C@H]1CCC[C@H]1Sc1cnccn1 82433338 573035784 /nfs/dbraw/zinc/03/57/84/573035784.db2.gz VJLBVNUKZASOEU-JGVFFNPUSA-N 0 0 196.275 1.482 10 0 ADAERN C/C=C/[C@H](NC)C(F)(F)F 104581978 573035785 /nfs/dbraw/zinc/03/57/85/573035785.db2.gz QPAZPNYRABVLBJ-BHYDHMSTSA-N 0 0 153.147 1.713 10 0 ADAERN CCC[C@@H](O)[C@H](O)c1cncc(C)c1 233299608 573035790 /nfs/dbraw/zinc/03/57/90/573035790.db2.gz UTJYPBAIOOMINA-GHMZBOCLSA-N 0 0 195.262 1.584 10 0 ADAERN COC(=O)[C@H]1CCn2cccc2C1 259597872 573035799 /nfs/dbraw/zinc/03/57/99/573035799.db2.gz CNNWBSHGRCJTOY-QMMMGPOBSA-N 0 0 179.219 1.224 10 0 ADAERN CC[C@H]1NCN(C[C@@H](C)C(C)C)C1=O 128448273 573036756 /nfs/dbraw/zinc/03/67/56/573036756.db2.gz INGIFACZJFUJLS-NXEZZACHSA-N 0 0 198.310 1.446 10 0 ADAERN COC(=O)CCc1ccns1 259597985 573035815 /nfs/dbraw/zinc/03/58/15/573035815.db2.gz CPAIMAFCTRTYRX-UHFFFAOYSA-N 0 0 171.221 1.249 10 0 ADAERN Nc1ccc(N)c(-c2nccs2)c1 113872127 573035820 /nfs/dbraw/zinc/03/58/20/573035820.db2.gz NDSQCPUOJHJUJB-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN CCCNc1nc(=N)ss1 238248744 573035824 /nfs/dbraw/zinc/03/58/24/573035824.db2.gz NYVHIOWLCLSCMM-UHFFFAOYSA-N 0 0 175.282 1.506 10 0 ADAERN CC[C@@H]1NCN(C[C@H](C)C(C)C)C1=O 128448998 573035832 /nfs/dbraw/zinc/03/58/32/573035832.db2.gz INGIFACZJFUJLS-UWVGGRQHSA-N 0 0 198.310 1.446 10 0 ADAERN CC1(C)C[C@H](O)C[C@](C)(Cl)C1=O 238248840 573035833 /nfs/dbraw/zinc/03/58/33/573035833.db2.gz CPPNVAVUXAALJZ-RCOVLWMOSA-N 0 0 190.670 1.734 10 0 ADAERN Nc1nnc(Cl)cc1-c1ccco1 258526784 573035835 /nfs/dbraw/zinc/03/58/35/573035835.db2.gz GVTCYBHYHIUKAA-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CCO[C@@H](CC)[C@H](O)c1ccc[nH]1 308235771 573035845 /nfs/dbraw/zinc/03/58/45/573035845.db2.gz VWDZHODTLLPDGV-VHSXEESVSA-N 0 0 183.251 1.863 10 0 ADAERN CC[C@H](Nc1cc(N)ncn1)C(C)C 82426690 573035855 /nfs/dbraw/zinc/03/58/55/573035855.db2.gz FUGXIFFQHDLELI-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN CCCC[C@@H]1C(=O)N[C@@H]1CC 238249522 573035859 /nfs/dbraw/zinc/03/58/59/573035859.db2.gz CFKDRIYDBNGGAB-JGVFFNPUSA-N 0 0 155.241 1.701 10 0 ADAERN Cc1cc([C@@H](N)C(F)(F)F)no1 104580818 573035862 /nfs/dbraw/zinc/03/58/62/573035862.db2.gz CKLHHMZFSXMEDN-RXMQYKEDSA-N 0 0 180.129 1.545 10 0 ADAERN c1cc(NC[C@@H]2CCOCO2)cs1 88007888 573035869 /nfs/dbraw/zinc/03/58/69/573035869.db2.gz XCLLQUFBBOYLMX-VIFPVBQESA-N 0 0 199.275 1.923 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CCC[C@H]1C 82432737 573035923 /nfs/dbraw/zinc/03/59/23/573035923.db2.gz GGKBDMLLJOAMCS-ZZDZINKYSA-N 0 0 167.252 1.867 10 0 ADAERN CCCCCOC(=O)CC[C@@H](C)O 308235345 573035933 /nfs/dbraw/zinc/03/59/33/573035933.db2.gz QRJDWUJAJGFNLO-SECBINFHSA-N 0 0 188.267 1.881 10 0 ADAERN CCCC[C@@H](O)[C@@H](CC)OC(C)=O 308235774 573035942 /nfs/dbraw/zinc/03/59/42/573035942.db2.gz VWKLFXVTUUVUJS-NXEZZACHSA-N 0 0 188.267 1.879 10 0 ADAERN C[C@@H]1Cc2cccc(CON)c2O1 257925973 573035947 /nfs/dbraw/zinc/03/59/47/573035947.db2.gz CIQJDOQHONZXHL-SSDOTTSWSA-N 0 0 179.219 1.400 10 0 ADAERN COc1cc(N)cc(-c2nnco2)c1 88009659 573035961 /nfs/dbraw/zinc/03/59/61/573035961.db2.gz QODQKPZPIRITCW-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN CCCC[C@@H](O)[C@H](CC)OC(C)=O 308235777 573035962 /nfs/dbraw/zinc/03/59/62/573035962.db2.gz VWKLFXVTUUVUJS-ZJUUUORDSA-N 0 0 188.267 1.879 10 0 ADAERN Oc1cccn2nc(C3CC3)nc12 257926326 573035971 /nfs/dbraw/zinc/03/59/71/573035971.db2.gz IOJOWJBNHHVLCQ-UHFFFAOYSA-N 0 0 175.191 1.312 10 0 ADAERN O[C@@H](Cc1ccccn1)C1CC1 82431948 573035985 /nfs/dbraw/zinc/03/59/85/573035985.db2.gz PPRQOOXGBQNDHX-JTQLQIEISA-N 0 0 163.220 1.395 10 0 ADAERN O[C@@H]1c2ccccc2C[C@H]2C[C@@H]12 113847833 573035988 /nfs/dbraw/zinc/03/59/88/573035988.db2.gz DSNGLSMJYQOODP-JMJZKYOTSA-N 0 0 160.216 1.912 10 0 ADAERN C[C@H](O)c1nc(-c2ccsc2)no1 82430447 573036000 /nfs/dbraw/zinc/03/60/00/573036000.db2.gz MQVNJXMKYGOJFW-YFKPBYRVSA-N 0 0 196.231 1.851 10 0 ADAERN CCC(=O)n1cc(C)[nH]c1=S 238249083 573036014 /nfs/dbraw/zinc/03/60/14/573036014.db2.gz NXPQYLMBXZSTDH-UHFFFAOYSA-N 0 0 170.237 1.904 10 0 ADAERN Cc1nc(CO)oc1C1CC1 258472603 573036017 /nfs/dbraw/zinc/03/60/17/573036017.db2.gz IIXQCJFJIFYKNS-UHFFFAOYSA-N 0 0 153.181 1.353 10 0 ADAERN CCOC(=O)c1csc(C(N)=O)c1 259597781 573036023 /nfs/dbraw/zinc/03/60/23/573036023.db2.gz CMKFVLBGROLCCD-UHFFFAOYSA-N 0 0 199.231 1.024 10 0 ADAERN CC1=C[C@@H](O)[C@@](C)(Cl)C1 238248819 573036027 /nfs/dbraw/zinc/03/60/27/573036027.db2.gz MIMAVYWFHOCNLG-RQJHMYQMSA-N 0 0 146.617 1.695 10 0 ADAERN CCCCNC(=O)NO[C@H](C)CC 308237418 573036990 /nfs/dbraw/zinc/03/69/90/573036990.db2.gz RGIRXTZSFDWSBA-MRVPVSSYSA-N 0 0 188.271 1.816 10 0 ADAERN c1cc(NC[C@H]2CCOCO2)cs1 88007889 573036059 /nfs/dbraw/zinc/03/60/59/573036059.db2.gz XCLLQUFBBOYLMX-SECBINFHSA-N 0 0 199.275 1.923 10 0 ADAERN C/C=C/c1cc(N)ccc1N 104582143 573036038 /nfs/dbraw/zinc/03/60/38/573036038.db2.gz BBJFYVNGXJSBTI-NSCUHMNNSA-N 0 0 148.209 1.884 10 0 ADAERN CC(C)[C@@H]1CCc2nc(N)ncc2C1 82442065 573036041 /nfs/dbraw/zinc/03/60/41/573036041.db2.gz BPZXORXQWAHMSP-MRVPVSSYSA-N 0 0 191.278 1.820 10 0 ADAERN CCc1ccc([C@](C)([NH3+])C(=O)[O-])o1 104580962 573036070 /nfs/dbraw/zinc/03/60/70/573036070.db2.gz SRXSHTDTWDNRLM-VIFPVBQESA-N 0 0 183.207 1.101 10 0 ADAERN C[C@H](ON)[C@@H]1CCCS1 259316447 573036078 /nfs/dbraw/zinc/03/60/78/573036078.db2.gz CJZYZPGCDNUNOW-WDSKDSINSA-N 0 0 147.243 1.161 10 0 ADAERN CC[C@@H](C)[NH2+]C[C@@](C)(CC)C(=O)[O-] 128428807 573036081 /nfs/dbraw/zinc/03/60/81/573036081.db2.gz DFOBSQCDJNHVCV-PSASIEDQSA-N 0 0 187.283 1.875 10 0 ADAERN O=C1C=C(O)[C@@H]2C3CCC(CC3)[C@H]12 113817694 573036090 /nfs/dbraw/zinc/03/60/90/573036090.db2.gz LCFPDWOETCYJTM-COMYQFAHSA-N 0 0 178.231 1.581 10 0 ADAERN C[C@H](O)c1nc(-c2ccccc2)no1 82430365 573036135 /nfs/dbraw/zinc/03/61/35/573036135.db2.gz IHRBTPYNWRSKNB-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN C[C@@H](ON)[C@@H]1CCCS1 259316445 573036136 /nfs/dbraw/zinc/03/61/36/573036136.db2.gz CJZYZPGCDNUNOW-RITPCOANSA-N 0 0 147.243 1.161 10 0 ADAERN Fc1cccc([C@H]2CCON2)c1 258472666 573036141 /nfs/dbraw/zinc/03/61/41/573036141.db2.gz IKNKGPWKQPKNGH-SECBINFHSA-N 0 0 167.183 1.792 10 0 ADAERN CCC[C@H]1O[C@H]2CCCC[C@@H]2NC1=O 238249309 573036142 /nfs/dbraw/zinc/03/61/42/573036142.db2.gz RYTAZTRYVWFMDY-LPEHRKFASA-N 0 0 197.278 1.613 10 0 ADAERN CCC(=O)c1cnc2c(c1)OCO2 238248760 573036152 /nfs/dbraw/zinc/03/61/52/573036152.db2.gz XBGNHDWTLQGKFB-UHFFFAOYSA-N 0 0 179.175 1.403 10 0 ADAERN CNc1ncc2c(n1)CCSC2 82442144 573036163 /nfs/dbraw/zinc/03/61/63/573036163.db2.gz GMROILUQHBCMJZ-UHFFFAOYSA-N 0 0 181.264 1.308 10 0 ADAERN N[C@H]([C@H]1CCC=CO1)C(F)(F)F 104580824 573036164 /nfs/dbraw/zinc/03/61/64/573036164.db2.gz QNEYPKDQBXHPKZ-PHDIDXHHSA-N 0 0 181.157 1.569 10 0 ADAERN O[C@@H]1CCC[C@@H]1Sc1cnccn1 82433341 573036186 /nfs/dbraw/zinc/03/61/86/573036186.db2.gz VJLBVNUKZASOEU-SFYZADRCSA-N 0 0 196.275 1.482 10 0 ADAERN CCN1N=CCC[C@H]1C(C)=O 238248682 573036190 /nfs/dbraw/zinc/03/61/90/573036190.db2.gz ZELWGGHZRCWRQS-QMMMGPOBSA-N 0 0 154.213 1.046 10 0 ADAERN CCOc1ccc(F)c(C=O)c1O 113863364 573036210 /nfs/dbraw/zinc/03/62/10/573036210.db2.gz WPCKPCKDDJYKLQ-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN COC[C@@H](C)C1(CO)CCOCC1 128453530 573036220 /nfs/dbraw/zinc/03/62/20/573036220.db2.gz NHWHBCBMJGYFLI-SECBINFHSA-N 0 0 188.267 1.058 10 0 ADAERN CCCNc1nc(SC)nnc1C 238249414 573036227 /nfs/dbraw/zinc/03/62/27/573036227.db2.gz FAHLVJPUVPLKNH-UHFFFAOYSA-N 0 0 198.295 1.724 10 0 ADAERN CO[C@H](CCO)c1ccccc1F 257926925 573036235 /nfs/dbraw/zinc/03/62/35/573036235.db2.gz SEPPNTHVKQCMRO-SNVBAGLBSA-N 0 0 184.210 1.896 10 0 ADAERN CC(C)Cn1nc(N)c2c1CCC2 257927063 573036251 /nfs/dbraw/zinc/03/62/51/573036251.db2.gz SGGLGNJAHANZNO-UHFFFAOYSA-N 0 0 179.267 1.610 10 0 ADAERN CC[C@@H]1CNC(=O)N(C2CC2)C(=O)C1 87982480 573036270 /nfs/dbraw/zinc/03/62/70/573036270.db2.gz DNEISPIICMFZOS-ZETCQYMHSA-N 0 0 196.250 1.117 10 0 ADAERN CCCN1C(=O)C[C@@H](CC)CNC1=O 87982478 573036291 /nfs/dbraw/zinc/03/62/91/573036291.db2.gz CTMITXZCNROLAK-MRVPVSSYSA-N 0 0 198.266 1.365 10 0 ADAERN CCC[C@@H](O)[C@H](O)c1nccn1CC 233299633 573036282 /nfs/dbraw/zinc/03/62/82/573036282.db2.gz KNQMNZXBZUSZAQ-BDAKNGLRSA-N 0 0 198.266 1.097 10 0 ADAERN CC1N=C2CCCCC2NC1=O 238248997 573036339 /nfs/dbraw/zinc/03/63/39/573036339.db2.gz IBDHDLVZJSZYLO-ZETCQYMHSA-N 0 0 166.224 1.720 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)C(C)C 82435419 573036343 /nfs/dbraw/zinc/03/63/43/573036343.db2.gz FOBINTASIRSEBD-GJIOHYHPSA-N 0 0 155.241 1.723 10 0 ADAERN COC(=O)CCc1sncc1C 259597905 573036829 /nfs/dbraw/zinc/03/68/29/573036829.db2.gz COBSHCWZJYIVMW-UHFFFAOYSA-N 0 0 185.248 1.557 10 0 ADAERN CC(C)Cc1noc([C@H](C)O)n1 82430352 573036400 /nfs/dbraw/zinc/03/64/00/573036400.db2.gz HMSKDEQQSNMVDV-LURJTMIESA-N 0 0 170.212 1.321 10 0 ADAERN COCCc1nc(C(C)=O)co1 257927262 573036446 /nfs/dbraw/zinc/03/64/46/573036446.db2.gz GVJCXVJSMZZXBK-UHFFFAOYSA-N 0 0 169.180 1.066 10 0 ADAERN CCN1N=CCC[C@@H]1C(C)=O 238248665 573036452 /nfs/dbraw/zinc/03/64/52/573036452.db2.gz ZELWGGHZRCWRQS-MRVPVSSYSA-N 0 0 154.213 1.046 10 0 ADAERN Cc1nc[nH]c1[C@H](N)C(F)(F)F 104580797 573036466 /nfs/dbraw/zinc/03/64/66/573036466.db2.gz VPKIWROOGQVURQ-YFKPBYRVSA-N 0 0 179.145 1.280 10 0 ADAERN CCOC(=O)C1=CN[C@H](C)CC1 238248722 573036476 /nfs/dbraw/zinc/03/64/76/573036476.db2.gz GOURANCXNTYVHT-SSDOTTSWSA-N 0 0 169.224 1.205 10 0 ADAERN Cc1nc[nH]c1[C@@H](N)C(F)(F)F 104580803 573036523 /nfs/dbraw/zinc/03/65/23/573036523.db2.gz VPKIWROOGQVURQ-RXMQYKEDSA-N 0 0 179.145 1.280 10 0 ADAERN CCNc1c(C(C)=O)ccccc1=O 238248552 573036544 /nfs/dbraw/zinc/03/65/44/573036544.db2.gz QPYBWPYXJHJPJY-UHFFFAOYSA-N 0 0 191.230 1.681 10 0 ADAERN CCSC(=S)NC 104582259 573036555 /nfs/dbraw/zinc/03/65/55/573036555.db2.gz MNKSXVVWOZQGLR-UHFFFAOYSA-N 0 0 135.257 1.244 10 0 ADAERN Cc1ccc2c(c1O)CCC(=O)N2 113819540 573036563 /nfs/dbraw/zinc/03/65/63/573036563.db2.gz LDMHLWVMDQGTCA-UHFFFAOYSA-N 0 0 177.203 1.585 10 0 ADAERN COC(=O)C/C=C\C(C)C 224570320 573036842 /nfs/dbraw/zinc/03/68/42/573036842.db2.gz FRRWRABGCSNLCT-PLNGDYQASA-N 0 0 142.198 1.762 10 0 ADAERN CC1=C[C@@H](OC(N)=O)CCC1 238249133 573036568 /nfs/dbraw/zinc/03/65/68/573036568.db2.gz RICLOYSYFOKBBX-ZETCQYMHSA-N 0 0 155.197 1.581 10 0 ADAERN CCC[C@@H](OC)C(=O)c1ccnn1C 131876803 573036570 /nfs/dbraw/zinc/03/65/70/573036570.db2.gz ZEZNDLFXFSWEHV-SECBINFHSA-N 0 0 196.250 1.418 10 0 ADAERN CC[C@@](C)(C[NH+]1CC(C)C1)C(=O)[O-] 128431537 573036574 /nfs/dbraw/zinc/03/65/74/573036574.db2.gz RDVZDCTXTONQQS-JTQLQIEISA-N 0 0 185.267 1.439 10 0 ADAERN CCC(C(=S)NC)C(=S)NC 238250042 573036576 /nfs/dbraw/zinc/03/65/76/573036576.db2.gz LTLZCWVLDYIJIY-UHFFFAOYSA-N 0 0 190.337 1.106 10 0 ADAERN CCCc1nc(N)ncc1CC 82442044 573036582 /nfs/dbraw/zinc/03/65/82/573036582.db2.gz NMMLJMJYWIBGEC-UHFFFAOYSA-N 0 0 165.240 1.574 10 0 ADAERN CC[C@@H](O)[C@H](C)c1ccncc1 82444341 573036586 /nfs/dbraw/zinc/03/65/86/573036586.db2.gz ZTZUDMHNPMTDHX-PSASIEDQSA-N 0 0 165.236 1.956 10 0 ADAERN CCc1ccc([C@@](C)([NH3+])C(=O)[O-])o1 104580966 573036602 /nfs/dbraw/zinc/03/66/02/573036602.db2.gz SRXSHTDTWDNRLM-SECBINFHSA-N 0 0 183.207 1.101 10 0 ADAERN CCCCS[C@H](O)C(C)=O 238248704 573036604 /nfs/dbraw/zinc/03/66/04/573036604.db2.gz BGJUDKUNDGINOU-ZETCQYMHSA-N 0 0 162.254 1.427 10 0 ADAERN CCc1nc(COC)nc(N)c1C 82443112 573036630 /nfs/dbraw/zinc/03/66/30/573036630.db2.gz LNWZYLCASGHDOU-UHFFFAOYSA-N 0 0 181.239 1.076 10 0 ADAERN Cc1n[nH]c2ccc(F)c(C=O)c12 259316691 573036636 /nfs/dbraw/zinc/03/66/36/573036636.db2.gz FRIDKBYIQWQRRG-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN Cc1nc(C(F)F)ncc1C=O 257926975 573036639 /nfs/dbraw/zinc/03/66/39/573036639.db2.gz SFEKBZKMTMVHRY-UHFFFAOYSA-N 0 0 172.134 1.535 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@]1(C)CC1(C)C 717064106 573036645 /nfs/dbraw/zinc/03/66/45/573036645.db2.gz LJWANVQXJITFDS-LAEOZQHASA-N 0 0 181.279 1.805 10 0 ADAERN CC[C@@](C)(C[NH2+]C(C)C)C(=O)[O-] 128427992 573036844 /nfs/dbraw/zinc/03/68/44/573036844.db2.gz DXSYEJBNJRRLDX-VIFPVBQESA-N 0 0 173.256 1.485 10 0 ADAERN COc1cc(C(F)F)nc(N)n1 257925682 573036680 /nfs/dbraw/zinc/03/66/80/573036680.db2.gz SAUTXCFXGBGEHC-UHFFFAOYSA-N 0 0 175.138 1.005 10 0 ADAERN COC(=O)c1nccc2n[nH]c(C)c12 259597991 573036695 /nfs/dbraw/zinc/03/66/95/573036695.db2.gz CPARYNNVSXAZDJ-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN CCOC(=O)/C=C1\CCCC[C@@H]1O 224517133 573036705 /nfs/dbraw/zinc/03/67/05/573036705.db2.gz KOPNIEWXTQTGRN-FLOXNTQESA-N 0 0 184.235 1.411 10 0 ADAERN CCOC(=O)[C@@H](C)c1cc[nH]n1 259597881 573036711 /nfs/dbraw/zinc/03/67/11/573036711.db2.gz CNUPYKZPVQASMN-LURJTMIESA-N 0 0 168.196 1.076 10 0 ADAERN C[C@@H](O)c1nc(-c2ccccc2)no1 82430366 573036729 /nfs/dbraw/zinc/03/67/29/573036729.db2.gz IHRBTPYNWRSKNB-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN CC1(C)NC(=O)CCc2ccccc21 238248757 573036733 /nfs/dbraw/zinc/03/67/33/573036733.db2.gz BFSPEFUGOBQYGA-UHFFFAOYSA-N 0 0 189.258 1.984 10 0 ADAERN Nc1ccc(N)c(-c2ccccn2)c1 113884705 573036753 /nfs/dbraw/zinc/03/67/53/573036753.db2.gz FFQHUOQNSGCJMV-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN CC1(C)[C@@H]2C=C[C@@]1(C)C(=O)N2 238249711 573036760 /nfs/dbraw/zinc/03/67/60/573036760.db2.gz MBHGSRFYHDGODR-RCOVLWMOSA-N 0 0 151.209 1.087 10 0 ADAERN Nc1c[nH]c(Oc2cccc(F)c2)n1 257925844 573036774 /nfs/dbraw/zinc/03/67/74/573036774.db2.gz SDNZNTXQUCNOMC-UHFFFAOYSA-N 0 0 193.181 1.923 10 0 ADAERN CONCCc1cccs1 82432541 573036794 /nfs/dbraw/zinc/03/67/94/573036794.db2.gz OVAAKPASWSPCCR-UHFFFAOYSA-N 0 0 157.238 1.442 10 0 ADAERN COC[C@H](N)c1nc2ccccc2o1 88001282 573036799 /nfs/dbraw/zinc/03/67/99/573036799.db2.gz PJYNIZBELWXYPO-ZETCQYMHSA-N 0 0 192.218 1.474 10 0 ADAERN Cc1cc(C[C@H](C)O)cc(N)c1C 259316965 573036857 /nfs/dbraw/zinc/03/68/57/573036857.db2.gz DKZBNTGZEISZKT-QMMMGPOBSA-N 0 0 179.263 1.809 10 0 ADAERN CC(C)c1nc(C2CC2)cc(=O)[nH]1 82430890 573036863 /nfs/dbraw/zinc/03/68/63/573036863.db2.gz MWLWVLJGTNWLIX-UHFFFAOYSA-N 0 0 178.235 1.771 10 0 ADAERN COC(=O)[C@]12CCCC[C@H]1C[C@H](O)C2 257925660 573036877 /nfs/dbraw/zinc/03/68/77/573036877.db2.gz YWKONZDVKDSEDX-QXEWZRGKSA-N 0 0 198.262 1.491 10 0 ADAERN CCNc1cc(C)nc(C(=O)OC)n1 85446884 573036905 /nfs/dbraw/zinc/03/69/05/573036905.db2.gz ZKMIXDXUDDMVKB-UHFFFAOYSA-N 0 0 195.222 1.003 10 0 ADAERN CNc1nccc(-c2ccccn2)n1 82442108 573036907 /nfs/dbraw/zinc/03/69/07/573036907.db2.gz AGBJRQSSKOZZOS-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN O=Cc1ncc2cc(F)ccc2n1 257927077 573036911 /nfs/dbraw/zinc/03/69/11/573036911.db2.gz SGPRJYUQAMBOHR-UHFFFAOYSA-N 0 0 176.150 1.581 10 0 ADAERN COC(=O)[C@]12CCCC[C@@H]1C[C@@H](O)C2 257925658 573036917 /nfs/dbraw/zinc/03/69/17/573036917.db2.gz YWKONZDVKDSEDX-KKZNHRDASA-N 0 0 198.262 1.491 10 0 ADAERN CC1(C)C[C@H]1Nc1cc(N)ncn1 82426662 573036939 /nfs/dbraw/zinc/03/69/39/573036939.db2.gz XIBWSCLZVSPWRV-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN CCC[N@H+](CC(=O)[O-])C[C@@]1(C)C[C@@H]1C 714620869 573036940 /nfs/dbraw/zinc/03/69/40/573036940.db2.gz KFBGONJJTQWEAY-GXSJLCMTSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1cncc(N)n1 82432290 573036989 /nfs/dbraw/zinc/03/69/89/573036989.db2.gz NSESTTNMULIOSW-JGVFFNPUSA-N 0 0 192.266 1.659 10 0 ADAERN CC/C=C\C(=O)N[C@H](CO)C(C)C 308233309 573036961 /nfs/dbraw/zinc/03/69/61/573036961.db2.gz PUHUISQEYXEGPD-SSJHQANKSA-N 0 0 185.267 1.086 10 0 ADAERN C[C@H](O)c1nc(CC(F)(F)F)no1 82430573 573036962 /nfs/dbraw/zinc/03/69/62/573036962.db2.gz OVGUPQQJTNUKSZ-VKHMYHEASA-N 0 0 196.128 1.228 10 0 ADAERN COC[C@H]1CNc2c(F)cccc2N1 88002028 573036963 /nfs/dbraw/zinc/03/69/63/573036963.db2.gz LSPTVCIKZXVXJB-SSDOTTSWSA-N 0 0 196.225 1.678 10 0 ADAERN C/C(=C\CC1CC1)CO 141841084 573036971 /nfs/dbraw/zinc/03/69/71/573036971.db2.gz XHYIWUOYWLGKLP-FARCUNLSSA-N 0 0 126.199 1.725 10 0 ADAERN COC[C@H]1CNc2cc(F)ccc2N1 88002012 573037544 /nfs/dbraw/zinc/03/75/44/573037544.db2.gz DFHYZUUPYHTKRD-MRVPVSSYSA-N 0 0 196.225 1.678 10 0 ADAERN CC[C@H](O)[C@H](C)c1ccccn1 82444275 573036996 /nfs/dbraw/zinc/03/69/96/573036996.db2.gz FKNKHMDYTJALBZ-SCZZXKLOSA-N 0 0 165.236 1.956 10 0 ADAERN COC(=O)/C=C/c1ccc(C)nc1 113836990 573037007 /nfs/dbraw/zinc/03/70/07/573037007.db2.gz QONKIEGYMFDBSP-AATRIKPKSA-N 0 0 177.203 1.576 10 0 ADAERN O=C1OC[C@@H](CO)N1C1CCCCC1 257927370 573037015 /nfs/dbraw/zinc/03/70/15/573037015.db2.gz BEIFWMKBPLJGML-SECBINFHSA-N 0 0 199.250 1.132 10 0 ADAERN COc1cccc2[nH]c(=NN)oc12 257924924 573037025 /nfs/dbraw/zinc/03/70/25/573037025.db2.gz BBWWUUFIVQIWLX-UHFFFAOYSA-N 0 0 179.179 1.122 10 0 ADAERN CN(C)c1c(F)cccc1CCO 259316685 573037041 /nfs/dbraw/zinc/03/70/41/573037041.db2.gz DIIDPJDJQOMEAG-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN CC(C)(ON)[C@@H]1CCCS1 259316609 573037049 /nfs/dbraw/zinc/03/70/49/573037049.db2.gz CMQUCCACPWKRSH-LURJTMIESA-N 0 0 161.270 1.551 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1cncc(N)n1 82432285 573037058 /nfs/dbraw/zinc/03/70/58/573037058.db2.gz NSESTTNMULIOSW-SFYZADRCSA-N 0 0 192.266 1.659 10 0 ADAERN CC(C)[C@@H](C)[C@H](NN)c1cccnc1 128418993 573037096 /nfs/dbraw/zinc/03/70/96/573037096.db2.gz GMBALNYTSUVVBS-KOLCDFICSA-N 0 0 193.294 1.878 10 0 ADAERN CCc1nc(CSC)[nH]c(=O)c1C 82442211 573037108 /nfs/dbraw/zinc/03/71/08/573037108.db2.gz VVOIUVLUOUTGRN-UHFFFAOYSA-N 0 0 198.291 1.504 10 0 ADAERN Nc1cccnc1N[C@@H]1CCCOC1 82431469 573037126 /nfs/dbraw/zinc/03/71/26/573037126.db2.gz ZXULVTXALFIRMM-MRVPVSSYSA-N 0 0 193.250 1.255 10 0 ADAERN O=C1NC[C@H]2C3CCC(CC3)[C@@H]12 141840020 573037138 /nfs/dbraw/zinc/03/71/38/573037138.db2.gz JOMCRKMIGLUQMQ-ABIFROTESA-N 0 0 165.236 1.169 10 0 ADAERN C[NH2+][C@H](C1CCCCC1)[C@@H](C)C(=O)[O-] 259315862 573037155 /nfs/dbraw/zinc/03/71/55/573037155.db2.gz JMNXRNURIWNWJN-SCZZXKLOSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)Cc1noc(C[C@@H](C)O)n1 82430354 573037161 /nfs/dbraw/zinc/03/71/61/573037161.db2.gz XMTMEWJGBATOEV-SSDOTTSWSA-N 0 0 184.239 1.191 10 0 ADAERN C/C=C/C(=O)N[C@H](C)C(C)C 82435420 573037210 /nfs/dbraw/zinc/03/72/10/573037210.db2.gz FOBINTASIRSEBD-HQZHTGGTSA-N 0 0 155.241 1.723 10 0 ADAERN CNCc1ncc(Br)o1 257925919 573037215 /nfs/dbraw/zinc/03/72/15/573037215.db2.gz SJEIVYLHAWFOPE-UHFFFAOYSA-N 0 0 191.028 1.157 10 0 ADAERN COc1cc(C(C)C)ccc1CNN 259316915 573037225 /nfs/dbraw/zinc/03/72/25/573037225.db2.gz KQVUWYVFWOWWFT-UHFFFAOYSA-N 0 0 194.278 1.782 10 0 ADAERN C[C@@H](O)c1nc(C(C)(C)C)no1 82430291 573037251 /nfs/dbraw/zinc/03/72/51/573037251.db2.gz DWKPTZPFZXJANG-RXMQYKEDSA-N 0 0 170.212 1.420 10 0 ADAERN CCOc1cccn2ccnc12 77001955 573037255 /nfs/dbraw/zinc/03/72/55/573037255.db2.gz MCEXQDWPMYQZND-UHFFFAOYSA-N 0 0 162.192 1.733 10 0 ADAERN O=c1ccc(C[C@@H]2CCSC2)n[nH]1 259316782 573037259 /nfs/dbraw/zinc/03/72/59/573037259.db2.gz DJLPUBMBLLWXRC-ZETCQYMHSA-N 0 0 196.275 1.478 10 0 ADAERN O=C1CCC[C@@H]1Sc1cnccn1 82433436 573037269 /nfs/dbraw/zinc/03/72/69/573037269.db2.gz OMVWNCXKAQLJJP-QMMMGPOBSA-N 0 0 194.259 1.690 10 0 ADAERN C[NH2+][C@H](CC(C)C)C1(C(=O)[O-])CCC1 259316979 573037273 /nfs/dbraw/zinc/03/72/73/573037273.db2.gz RGOLCLCXYFZQCR-SECBINFHSA-N 0 0 199.294 1.875 10 0 ADAERN Nc1cc(NCC2CCCC2)ncn1 82426562 573037276 /nfs/dbraw/zinc/03/72/76/573037276.db2.gz CPIPURCLSUPSPU-UHFFFAOYSA-N 0 0 192.266 1.661 10 0 ADAERN CO[C@]1(O)C[C@@H]1c1ccccc1 36466369 573037318 /nfs/dbraw/zinc/03/73/18/573037318.db2.gz UUFYKYURZWRSFJ-NXEZZACHSA-N 0 0 164.204 1.509 10 0 ADAERN CCc1nc(C2CC2)nc(N)c1C 82442994 573037352 /nfs/dbraw/zinc/03/73/52/573037352.db2.gz HGNWZKKPRUXVTB-UHFFFAOYSA-N 0 0 177.251 1.807 10 0 ADAERN CCCC(=O)Cc1nc(C2CC2)no1 82430272 573037390 /nfs/dbraw/zinc/03/73/90/573037390.db2.gz RCTBROGHPNPMIV-UHFFFAOYSA-N 0 0 194.234 1.859 10 0 ADAERN CC1(C)CCc2[nH]c(=O)ccc2C1 113854519 573037391 /nfs/dbraw/zinc/03/73/91/573037391.db2.gz ZESIRJKISSVIET-UHFFFAOYSA-N 0 0 177.247 1.890 10 0 ADAERN O=C1CCC[C@H]1Sc1cnccn1 82433435 573037411 /nfs/dbraw/zinc/03/74/11/573037411.db2.gz OMVWNCXKAQLJJP-MRVPVSSYSA-N 0 0 194.259 1.690 10 0 ADAERN CCOc1cc(N)cn2ccnc12 77001927 573037421 /nfs/dbraw/zinc/03/74/21/573037421.db2.gz FVRJPRUPHYQLFH-UHFFFAOYSA-N 0 0 177.207 1.315 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCC[C@H]1C 82432738 573037437 /nfs/dbraw/zinc/03/74/37/573037437.db2.gz GGKBDMLLJOAMCS-ZHBVTVBMSA-N 0 0 167.252 1.867 10 0 ADAERN CO[C@@H]1CCNc2cccc(O)c21 257925727 573037442 /nfs/dbraw/zinc/03/74/42/573037442.db2.gz SBSMHEZWLQDTBE-SECBINFHSA-N 0 0 179.219 1.895 10 0 ADAERN C[C@@H](O)c1nc(-c2ccco2)no1 82430488 573037443 /nfs/dbraw/zinc/03/74/43/573037443.db2.gz BBLKAVAYLRAQRT-RXMQYKEDSA-N 0 0 180.163 1.383 10 0 ADAERN CCOc1cc(N)cc(C(=O)NC)c1 88009599 573037445 /nfs/dbraw/zinc/03/74/45/573037445.db2.gz UBRPSDSJNIXUTE-UHFFFAOYSA-N 0 0 194.234 1.027 10 0 ADAERN C/C=C/CCCC(N)=O 104585840 573037448 /nfs/dbraw/zinc/03/74/48/573037448.db2.gz KDZMEZRLDMNVMZ-NSCUHMNNSA-N 0 0 127.187 1.218 10 0 ADAERN C[C@H]1CCN(c2ccc(N)c(N)c2)C1 235690256 573037459 /nfs/dbraw/zinc/03/74/59/573037459.db2.gz ITQZBXKWBVOBEI-QMMMGPOBSA-N 0 0 191.278 1.697 10 0 ADAERN CCC(CC)N(C)C(=O)[C@H]1CCO1 308236757 573037460 /nfs/dbraw/zinc/03/74/60/573037460.db2.gz RBZSBQLQNUFZID-SECBINFHSA-N 0 0 185.267 1.422 10 0 ADAERN CCOC(=O)C1=C(C)NC(=S)C1 238260502 573037470 /nfs/dbraw/zinc/03/74/70/573037470.db2.gz DNUSYWLQMDTBCP-UHFFFAOYSA-N 0 0 185.248 1.789 10 0 ADAERN Nc1ccc(Cl)cc1CCO 141843088 573037478 /nfs/dbraw/zinc/03/74/78/573037478.db2.gz OZFFVFRLCIBPMW-UHFFFAOYSA-N 0 0 171.627 1.457 10 0 ADAERN C[C@@]12CC(=O)C3(CC3)[C@H]1CCC2=O 224818241 573037485 /nfs/dbraw/zinc/03/74/85/573037485.db2.gz FMJRIHHFMCXBAH-OIBJUYFYSA-N 0 0 178.231 1.725 10 0 ADAERN CC[C@H](F)COC(=O)C1(O)CCC1 308233404 573037506 /nfs/dbraw/zinc/03/75/06/573037506.db2.gz PWTNWXMALZZKGX-ZETCQYMHSA-N 0 0 190.214 1.193 10 0 ADAERN CC[N@@H+]1CCC=C(CCCC(=O)[O-])C1 257925970 573037524 /nfs/dbraw/zinc/03/75/24/573037524.db2.gz CILIEYQGIGLMGF-UHFFFAOYSA-N 0 0 197.278 1.893 10 0 ADAERN CC/C=C\C(=O)N[C@@H](C)CCOC 308233355 573037532 /nfs/dbraw/zinc/03/75/32/573037532.db2.gz PVNDYWRYTIFOTF-UDIARPCQSA-N 0 0 185.267 1.494 10 0 ADAERN C[C@H](O)C1CC=CC1 113874388 573037535 /nfs/dbraw/zinc/03/75/35/573037535.db2.gz QXYLHVUZZADDEQ-LURJTMIESA-N 0 0 112.172 1.333 10 0 ADAERN Cc1ocnc1[C@@H]1CSCCN1 257926880 573037536 /nfs/dbraw/zinc/03/75/36/573037536.db2.gz SECCPWWMRBTOCE-ZETCQYMHSA-N 0 0 184.264 1.361 10 0 ADAERN CC1(C)NC(=S)N=NC2CCC[C@@H]21 238250074 573037586 /nfs/dbraw/zinc/03/75/86/573037586.db2.gz AQHUNKVPFYEJQV-LURJTMIESA-N 0 0 197.307 1.399 10 0 ADAERN Cc1ocnc1[C@H]1CSCCN1 257926877 573037594 /nfs/dbraw/zinc/03/75/94/573037594.db2.gz SECCPWWMRBTOCE-SSDOTTSWSA-N 0 0 184.264 1.361 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)CC[C@H]1CCO 308236886 573037621 /nfs/dbraw/zinc/03/76/21/573037621.db2.gz WLCQWBDBUFYTDT-XHNCKOQMSA-N 0 0 186.251 1.204 10 0 ADAERN CC(=O)N[C@@H]1CCC2=CCC[C@H]21 113883884 573037624 /nfs/dbraw/zinc/03/76/24/573037624.db2.gz VNBVGVACMQSATH-NXEZZACHSA-N 0 0 165.236 1.621 10 0 ADAERN Cc1cccc([C@H](C)O)c1O 259316579 573037645 /nfs/dbraw/zinc/03/76/45/573037645.db2.gz CLVBAQFQFCNSHZ-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN CC(=O)N[C@@H]1CCC2=CCC[C@@H]21 113883889 573037654 /nfs/dbraw/zinc/03/76/54/573037654.db2.gz VNBVGVACMQSATH-VHSXEESVSA-N 0 0 165.236 1.621 10 0 ADAERN CC1=C[C@@H]2O[C@@]1(CO)c1ccccc12 238250432 573037669 /nfs/dbraw/zinc/03/76/69/573037669.db2.gz ODSROEHLPXGDNQ-NWDGAFQWSA-N 0 0 188.226 1.905 10 0 ADAERN O=Cc1cnc(C[C@@H]2CCCOC2)o1 257926775 573037689 /nfs/dbraw/zinc/03/76/89/573037689.db2.gz DOLCMKRFKWPKER-QMMMGPOBSA-N 0 0 195.218 1.456 10 0 ADAERN C[C@H]1Cc2cccc(CON)c2O1 257925974 573037694 /nfs/dbraw/zinc/03/76/94/573037694.db2.gz CIQJDOQHONZXHL-ZETCQYMHSA-N 0 0 179.219 1.400 10 0 ADAERN CCCC[C@@H]([NH2+]CC)C(=O)[O-] 41053341 573037699 /nfs/dbraw/zinc/03/76/99/573037699.db2.gz IIVUKYTTXBEJRB-SSDOTTSWSA-N 0 0 159.229 1.239 10 0 ADAERN CC(C)(O)C[C@@H]1[C@H](CCO)C1(C)C 308233703 573037742 /nfs/dbraw/zinc/03/77/42/573037742.db2.gz UWFPMRLYGWUGKQ-DTWKUNHWSA-N 0 0 186.295 1.802 10 0 ADAERN O=C(Nc1cnoc1)C(F)(F)F 82432132 573037753 /nfs/dbraw/zinc/03/77/53/573037753.db2.gz ASZDMUGBWQEDIA-UHFFFAOYSA-N 0 0 180.085 1.175 10 0 ADAERN CC1(c2cnco2)CC1 224541614 573037757 /nfs/dbraw/zinc/03/77/57/573037757.db2.gz HZKQMVBFDRWNKP-UHFFFAOYSA-N 0 0 123.155 1.726 10 0 ADAERN CCC[N@H+](CC(=O)[O-])C[C@]1(C)C[C@H]1C 714620875 573037764 /nfs/dbraw/zinc/03/77/64/573037764.db2.gz KFBGONJJTQWEAY-KOLCDFICSA-N 0 0 199.294 1.829 10 0 ADAERN CONC(=O)C1(C)CCCC1 82435478 573037773 /nfs/dbraw/zinc/03/77/73/573037773.db2.gz CLHPSCTWIKHBEJ-UHFFFAOYSA-N 0 0 157.213 1.244 10 0 ADAERN Cc1cc(C[C@@H](C)O)cc(N)c1C 259316923 573037774 /nfs/dbraw/zinc/03/77/74/573037774.db2.gz DKZBNTGZEISZKT-MRVPVSSYSA-N 0 0 179.263 1.809 10 0 ADAERN CC(C)[C@H](C)[C@H](NN)c1cccnc1 128419243 573037789 /nfs/dbraw/zinc/03/77/89/573037789.db2.gz GMBALNYTSUVVBS-ONGXEEELSA-N 0 0 193.294 1.878 10 0 ADAERN CC(C)OCc1ncc(N)s1 257925881 573037800 /nfs/dbraw/zinc/03/78/00/573037800.db2.gz SGVQFOAGAJVYDL-UHFFFAOYSA-N 0 0 172.253 1.650 10 0 ADAERN CNc1ncc2c(n1)[C@@H](C)CCC2 82442156 573037801 /nfs/dbraw/zinc/03/78/01/573037801.db2.gz JUIKJVOHFKTPTK-ZETCQYMHSA-N 0 0 177.251 1.958 10 0 ADAERN S=c1nc2cc(Cl)ccn2[nH]1 259314850 573037806 /nfs/dbraw/zinc/03/78/06/573037806.db2.gz DDEAICFJJZOCEU-UHFFFAOYSA-N 0 0 185.639 1.671 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1cnns1 714620849 573037988 /nfs/dbraw/zinc/03/79/88/573037988.db2.gz KDGKGVZJRBOBDO-HTRCEHHLSA-N 0 0 183.280 1.996 10 0 ADAERN CCOC(=O)Nc1cnccc1C 82432156 573037870 /nfs/dbraw/zinc/03/78/70/573037870.db2.gz LSPCQOHXDXFUKW-UHFFFAOYSA-N 0 0 180.207 1.958 10 0 ADAERN CCP(CC)c1ncc[nH]1 238262468 573039421 /nfs/dbraw/zinc/03/94/21/573039421.db2.gz UFIPGRHQOBVZLS-UHFFFAOYSA-N 0 0 156.169 1.557 10 0 ADAERN CNc1ncc2c(n1)CCC2 82442109 573037920 /nfs/dbraw/zinc/03/79/20/573037920.db2.gz FGYPBPMTBHXSCL-UHFFFAOYSA-N 0 0 149.197 1.007 10 0 ADAERN CC[C@@](C)(C[NH+]1CC(C)(C)C1)C(=O)[O-] 128432418 573037901 /nfs/dbraw/zinc/03/79/01/573037901.db2.gz YAYLYZYUJLLWHN-NSHDSACASA-N 0 0 199.294 1.829 10 0 ADAERN CSc1cc(N)nc(Cl)n1 257924994 573037903 /nfs/dbraw/zinc/03/79/03/573037903.db2.gz RZVYPJVLLOJYGC-UHFFFAOYSA-N 0 0 175.644 1.434 10 0 ADAERN OCc1ccc2c(c1)nc1n2CCC1 141850036 573037917 /nfs/dbraw/zinc/03/79/17/573037917.db2.gz IKFTZNWEABAYDW-UHFFFAOYSA-N 0 0 188.230 1.475 10 0 ADAERN O=C1OCNc2ccccc21 104587959 573037934 /nfs/dbraw/zinc/03/79/34/573037934.db2.gz SPJLEQRFKKAENL-UHFFFAOYSA-N 0 0 149.149 1.226 10 0 ADAERN CCCCCO[C@H]1OCCC[C@@H]1O 308233222 573037981 /nfs/dbraw/zinc/03/79/81/573037981.db2.gz USHFLLZIWXBCQI-UWVGGRQHSA-N 0 0 188.267 1.691 10 0 ADAERN COC[C@@H]1CNc2ccc(F)cc2N1 88002005 573038024 /nfs/dbraw/zinc/03/80/24/573038024.db2.gz YIOMOHUVQKQLEW-QMMMGPOBSA-N 0 0 196.225 1.678 10 0 ADAERN OCCc1ccc2c(c1)NCCS2 259316999 573038112 /nfs/dbraw/zinc/03/81/12/573038112.db2.gz WHDATEFRBGRLTF-UHFFFAOYSA-N 0 0 195.287 1.739 10 0 ADAERN C[C@@H](O)c1nc(CC(F)(F)F)no1 82430574 573038068 /nfs/dbraw/zinc/03/80/68/573038068.db2.gz OVGUPQQJTNUKSZ-GSVOUGTGSA-N 0 0 196.128 1.228 10 0 ADAERN CC(C)c1ccc(CO)o1 141837843 573038037 /nfs/dbraw/zinc/03/80/37/573038037.db2.gz CDYCXWPKGWKYFC-UHFFFAOYSA-N 0 0 140.182 1.895 10 0 ADAERN CCOc1cc(N)cn2cc(C)nc12 77001872 573038062 /nfs/dbraw/zinc/03/80/62/573038062.db2.gz KWZSCSZNWDEVED-UHFFFAOYSA-N 0 0 191.234 1.624 10 0 ADAERN C/C=C\[C@H](CC(C)=O)OC 211952481 573038089 /nfs/dbraw/zinc/03/80/89/573038089.db2.gz PCVYFVLVBHYDTM-PULIVWKDSA-N 0 0 142.198 1.557 10 0 ADAERN CC(C)[C@H](C)[C@H](C)C(N)=O 104588237 573038132 /nfs/dbraw/zinc/03/81/32/573038132.db2.gz OELCANXEQHTGOX-BQBZGAKWSA-N 0 0 143.230 1.400 10 0 ADAERN CCOc1cc(C)c(O)cc1N 113862912 573038474 /nfs/dbraw/zinc/03/84/74/573038474.db2.gz PERWLJUQQIWGLB-UHFFFAOYSA-N 0 0 167.208 1.682 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1[C@]1(C)CC1(C)C 717064109 573038164 /nfs/dbraw/zinc/03/81/64/573038164.db2.gz LJWANVQXJITFDS-RNSXUZJQSA-N 0 0 181.279 1.805 10 0 ADAERN O[C@@H]1CCC[C@H]1Sc1cnccn1 82433340 573038182 /nfs/dbraw/zinc/03/81/82/573038182.db2.gz VJLBVNUKZASOEU-HTQZYQBOSA-N 0 0 196.275 1.482 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1cnns1 714620865 573038225 /nfs/dbraw/zinc/03/82/25/573038225.db2.gz KDGKGVZJRBOBDO-XPUUQOCRSA-N 0 0 183.280 1.996 10 0 ADAERN CC[C@@](C)(C[NH+]1CC=CC1)C(=O)[O-] 128434686 573038231 /nfs/dbraw/zinc/03/82/31/573038231.db2.gz BQZWWDRDHGDFKG-JTQLQIEISA-N 0 0 183.251 1.359 10 0 ADAERN C[C@]12CC(=O)C3(CC3)[C@@H]1CCC2=O 224818201 573038232 /nfs/dbraw/zinc/03/82/32/573038232.db2.gz FMJRIHHFMCXBAH-XCBNKYQSSA-N 0 0 178.231 1.725 10 0 ADAERN CNc1ncc(C)c(C)n1 82442132 573038233 /nfs/dbraw/zinc/03/82/33/573038233.db2.gz QLPWZRNLPUIUPG-UHFFFAOYSA-N 0 0 137.186 1.135 10 0 ADAERN CC1(C)C[C@@]1(C)C1CC(=O)NC(=O)C1 717069262 573038235 /nfs/dbraw/zinc/03/82/35/573038235.db2.gz SXLZUYJHYMGMGE-NSHDSACASA-N 0 0 195.262 1.475 10 0 ADAERN CC[C@@H]1NCN(C[C@@H](C)C(C)C)C1=O 128448534 573038260 /nfs/dbraw/zinc/03/82/60/573038260.db2.gz INGIFACZJFUJLS-ZJUUUORDSA-N 0 0 198.310 1.446 10 0 ADAERN CC[C@@H](F)CN1CCOC[C@H]1CC 308237169 573038336 /nfs/dbraw/zinc/03/83/36/573038336.db2.gz RFCDEXNPVMGHQB-NXEZZACHSA-N 0 0 189.274 1.845 10 0 ADAERN COCCNc1ccc(SC)nn1 308486566 573038361 /nfs/dbraw/zinc/03/83/61/573038361.db2.gz PJAXJKUKAIAFBJ-UHFFFAOYSA-N 0 0 199.279 1.257 10 0 ADAERN CCCc1nc(N)c(C)c(CC)n1 82442899 573038485 /nfs/dbraw/zinc/03/84/85/573038485.db2.gz ZVFHBUKSFPDPNG-UHFFFAOYSA-N 0 0 179.267 1.882 10 0 ADAERN COC(C[C@H](C)[C@H](O)C(C)C)OC 308233195 573038395 /nfs/dbraw/zinc/03/83/95/573038395.db2.gz UQWICRHCIZLSLK-WCBMZHEXSA-N 0 0 190.283 1.648 10 0 ADAERN CC(C)[C@H]1CCc2nc(N)ncc2C1 82442066 573038412 /nfs/dbraw/zinc/03/84/12/573038412.db2.gz BPZXORXQWAHMSP-QMMMGPOBSA-N 0 0 191.278 1.820 10 0 ADAERN C[C@@H](CO)c1ccc(F)c(N(C)C)c1 259316794 573038414 /nfs/dbraw/zinc/03/84/14/573038414.db2.gz DJNVIRURWIFDTD-QMMMGPOBSA-N 0 0 197.253 1.988 10 0 ADAERN CCC[N@H+](CC(=O)[O-])C[C@@]1(C)C[C@H]1C 714620879 573038488 /nfs/dbraw/zinc/03/84/88/573038488.db2.gz KFBGONJJTQWEAY-MWLCHTKSSA-N 0 0 199.294 1.829 10 0 ADAERN O=Cc1nnn(C2CC2)c1C1CC1 257924990 573038427 /nfs/dbraw/zinc/03/84/27/573038427.db2.gz RZUXYBGZPXDVLS-UHFFFAOYSA-N 0 0 177.207 1.303 10 0 ADAERN COc1ccccc1C[C@@H](C)ON 259316639 573038431 /nfs/dbraw/zinc/03/84/31/573038431.db2.gz CNCYHXVCHDFOTA-MRVPVSSYSA-N 0 0 181.235 1.517 10 0 ADAERN O=C1OC[C@H](CO)N1C1CCCCC1 257927372 573038432 /nfs/dbraw/zinc/03/84/32/573038432.db2.gz BEIFWMKBPLJGML-VIFPVBQESA-N 0 0 199.250 1.132 10 0 ADAERN CCN(CC)C(=O)[C@@H](C)CCOC 308237992 573038434 /nfs/dbraw/zinc/03/84/34/573038434.db2.gz RMFWQGDIZCNPCK-VIFPVBQESA-N 0 0 187.283 1.527 10 0 ADAERN C[C@H]1OCC[C@H]1Cn1cccc1 235690057 573038442 /nfs/dbraw/zinc/03/84/42/573038442.db2.gz LXFCICRAUPUSQR-ZJUUUORDSA-N 0 0 165.236 1.913 10 0 ADAERN CCC[C@@H](O)[C@H](O)c1ccnn1CC 233299602 573038454 /nfs/dbraw/zinc/03/84/54/573038454.db2.gz NTUVCKMPGZHBQP-NXEZZACHSA-N 0 0 198.266 1.097 10 0 ADAERN CO[C@@]1(O)C[C@H]1c1ccccc1 36466372 573038469 /nfs/dbraw/zinc/03/84/69/573038469.db2.gz UUFYKYURZWRSFJ-UWVGGRQHSA-N 0 0 164.204 1.509 10 0 ADAERN CC[C@H](O)[C@H](C)c1ccncc1 82444340 573038497 /nfs/dbraw/zinc/03/84/97/573038497.db2.gz ZTZUDMHNPMTDHX-SCZZXKLOSA-N 0 0 165.236 1.956 10 0 ADAERN COC[C@H]1CNc2ccc(C)cc2N1 88002010 573038509 /nfs/dbraw/zinc/03/85/09/573038509.db2.gz AQCZKXKCNOXBGZ-SECBINFHSA-N 0 0 192.262 1.847 10 0 ADAERN CCCN(CC)C(=O)c1cnoc1 308233067 573038511 /nfs/dbraw/zinc/03/85/11/573038511.db2.gz PTFFGYNHSDCEEV-UHFFFAOYSA-N 0 0 182.223 1.547 10 0 ADAERN Cc1ccccc1-n1nncc1N 257925022 573038550 /nfs/dbraw/zinc/03/85/50/573038550.db2.gz SAJXDQXSJCFYBG-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN COC(=O)[C@@H](C)c1cc(C)n(C)n1 259599875 573038545 /nfs/dbraw/zinc/03/85/45/573038545.db2.gz CPWCBVKGJVIYHZ-ZETCQYMHSA-N 0 0 182.223 1.005 10 0 ADAERN CCc1nc(CC(C)C)[nH]c(=O)c1C 82442197 573038864 /nfs/dbraw/zinc/03/88/64/573038864.db2.gz RBDQKQNKFDMZCK-UHFFFAOYSA-N 0 0 194.278 1.839 10 0 ADAERN CCO[C@@H](O)COCc1ccccc1 238260562 573038552 /nfs/dbraw/zinc/03/85/52/573038552.db2.gz ASQOBMKCARQBMK-LLVKDONJSA-N 0 0 196.246 1.558 10 0 ADAERN CC(C)c1noc([C@H](C)O)n1 82430397 573038553 /nfs/dbraw/zinc/03/85/53/573038553.db2.gz PFBBOMWBOOPQDL-YFKPBYRVSA-N 0 0 156.185 1.246 10 0 ADAERN CCCCCO[C@@H]1OCCC[C@H]1O 308233221 573038573 /nfs/dbraw/zinc/03/85/73/573038573.db2.gz USHFLLZIWXBCQI-NXEZZACHSA-N 0 0 188.267 1.691 10 0 ADAERN CNc1ncc2c(n1)CCCCC2 82442106 573038577 /nfs/dbraw/zinc/03/85/77/573038577.db2.gz YLRMGLAJTKPVLO-UHFFFAOYSA-N 0 0 177.251 1.787 10 0 ADAERN CC(C)C[C@@H](O)C(=O)C(C)C 113861717 573038598 /nfs/dbraw/zinc/03/85/98/573038598.db2.gz VKEIJSSQBGLTEX-MRVPVSSYSA-N 0 0 158.241 1.619 10 0 ADAERN CNc1nccc(-c2cccnc2)n1 82442080 573038633 /nfs/dbraw/zinc/03/86/33/573038633.db2.gz MYTUAQVEXIXHCJ-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CC[C@H](O)C(=O)N(CC)C1CCC1 308233341 573038644 /nfs/dbraw/zinc/03/86/44/573038644.db2.gz PVFXCDDWLBQGSS-VIFPVBQESA-N 0 0 185.267 1.158 10 0 ADAERN COc1cc(N)cc(-c2ncc[nH]2)c1 88009768 573038954 /nfs/dbraw/zinc/03/89/54/573038954.db2.gz MXGDGMSVIXJHRQ-UHFFFAOYSA-N 0 0 189.218 1.668 10 0 ADAERN C/C=C\C1(O)CSC1 642841713 573038657 /nfs/dbraw/zinc/03/86/57/573038657.db2.gz LFRXGNJLUOUIJG-IHWYPQMZSA-N 0 0 130.212 1.040 10 0 ADAERN CNc1ncc2c(n1)CC[C@H](C)C2 82442104 573038957 /nfs/dbraw/zinc/03/89/57/573038957.db2.gz GOAIGYWICYSOTL-ZETCQYMHSA-N 0 0 177.251 1.643 10 0 ADAERN CCC[C@@H](O)[C@H](O)c1cnn(CC)c1 233299620 573038672 /nfs/dbraw/zinc/03/86/72/573038672.db2.gz XNZNXVMNILETEZ-NXEZZACHSA-N 0 0 198.266 1.097 10 0 ADAERN COC[C@@H]1CNc2cc(C)ccc2N1 88002014 573038688 /nfs/dbraw/zinc/03/86/88/573038688.db2.gz PUDIULRHSZDQRQ-VIFPVBQESA-N 0 0 192.262 1.847 10 0 ADAERN CCc1nc(C(C)(C)C)[nH]c(=O)c1C 82442205 573038744 /nfs/dbraw/zinc/03/87/44/573038744.db2.gz PZLASOUASJLPOF-UHFFFAOYSA-N 0 0 194.278 1.938 10 0 ADAERN CCOCC[C@H](NN)c1cccnc1 128423248 573038746 /nfs/dbraw/zinc/03/87/46/573038746.db2.gz NTBSZFBOURAHJM-JTQLQIEISA-N 0 0 195.266 1.013 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@@]1(C)CC1(C)C 717064099 573038778 /nfs/dbraw/zinc/03/87/78/573038778.db2.gz LJWANVQXJITFDS-DKCNOQQISA-N 0 0 181.279 1.805 10 0 ADAERN CCCCC[C@@H]1OC=C[C@@H](O)[C@H]1O 308236981 573038782 /nfs/dbraw/zinc/03/87/82/573038782.db2.gz WNUTUIYMFIVJFR-KXUCPTDWSA-N 0 0 186.251 1.201 10 0 ADAERN CC/C=C\C(=O)NCc1cscn1 308233024 573038790 /nfs/dbraw/zinc/03/87/90/573038790.db2.gz PRQOYXSEIUHPFI-ARJAWSKDSA-N 0 0 196.275 1.726 10 0 ADAERN CSc1nnc(Br)o1 259317306 573039178 /nfs/dbraw/zinc/03/91/78/573039178.db2.gz WKHCVJCHPXYUTQ-UHFFFAOYSA-N 0 0 195.041 1.554 10 0 ADAERN C[C@H]1OCC[C@H]1Cn1cccc1C=O 235690090 573038799 /nfs/dbraw/zinc/03/87/99/573038799.db2.gz YOSMVUOUIDEKQV-ZJUUUORDSA-N 0 0 193.246 1.726 10 0 ADAERN Cc1cc2cc(C(N)=O)ccn2c1 141833583 573038813 /nfs/dbraw/zinc/03/88/13/573038813.db2.gz DTMDKBWATOTKKP-UHFFFAOYSA-N 0 0 174.203 1.347 10 0 ADAERN C[C@@H]1CNC(=O)N(C(C)(C)C)C(=O)C1 87982466 573038879 /nfs/dbraw/zinc/03/88/79/573038879.db2.gz GCTAFNSPDVTRAF-ZETCQYMHSA-N 0 0 198.266 1.363 10 0 ADAERN CC[C@H](C)[NH2+]C[C@@](C)(CC)C(=O)[O-] 128429017 573039182 /nfs/dbraw/zinc/03/91/82/573039182.db2.gz DFOBSQCDJNHVCV-WCBMZHEXSA-N 0 0 187.283 1.875 10 0 ADAERN C[NH2+][C@@H](C1CCCCC1)[C@H](C)C(=O)[O-] 259315866 573038895 /nfs/dbraw/zinc/03/88/95/573038895.db2.gz JMNXRNURIWNWJN-WCBMZHEXSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cc(C2CC(=O)C2)ns1 113855270 573038909 /nfs/dbraw/zinc/03/89/09/573038909.db2.gz KPLOCKYAJIMPQB-UHFFFAOYSA-N 0 0 167.233 1.898 10 0 ADAERN O=c1ccc(C[C@H]2CCSC2)n[nH]1 259316779 573038925 /nfs/dbraw/zinc/03/89/25/573038925.db2.gz DJLPUBMBLLWXRC-SSDOTTSWSA-N 0 0 196.275 1.478 10 0 ADAERN C[C@H](O)c1nc(-c2ccncc2)no1 82430342 573038930 /nfs/dbraw/zinc/03/89/30/573038930.db2.gz NINDOBJJYPZHFO-LURJTMIESA-N 0 0 191.190 1.185 10 0 ADAERN COC(C[C@H](C)[C@@H](O)C(C)C)OC 308233196 573038935 /nfs/dbraw/zinc/03/89/35/573038935.db2.gz UQWICRHCIZLSLK-WPRPVWTQSA-N 0 0 190.283 1.648 10 0 ADAERN CCNc1ccnc(C(=O)OC)c1 85446887 573038949 /nfs/dbraw/zinc/03/89/49/573038949.db2.gz GBVIEBXPVNMTFG-UHFFFAOYSA-N 0 0 180.207 1.300 10 0 ADAERN CCN1C(=S)NC(C)(C)C[C@@H]1C 238250392 573038950 /nfs/dbraw/zinc/03/89/50/573038950.db2.gz KSJXJQYAUWRYPJ-ZETCQYMHSA-N 0 0 186.324 1.754 10 0 ADAERN C[C@H](O)c1nc(-c2ccco2)no1 82430487 573038972 /nfs/dbraw/zinc/03/89/72/573038972.db2.gz BBLKAVAYLRAQRT-YFKPBYRVSA-N 0 0 180.163 1.383 10 0 ADAERN O=C1C=C(O)[C@@H]2C3CCC(CC3)[C@@H]12 113850174 573038974 /nfs/dbraw/zinc/03/89/74/573038974.db2.gz LCFPDWOETCYJTM-XFBKVQLDSA-N 0 0 178.231 1.581 10 0 ADAERN CCCCc1nc(C)c(C(N)=O)s1 308233435 573038982 /nfs/dbraw/zinc/03/89/82/573038982.db2.gz PXJJZMLTQPVNJN-UHFFFAOYSA-N 0 0 198.291 1.893 10 0 ADAERN CO[C@@H](CCO)c1ccccc1F 257926920 573038991 /nfs/dbraw/zinc/03/89/91/573038991.db2.gz SEPPNTHVKQCMRO-JTQLQIEISA-N 0 0 184.210 1.896 10 0 ADAERN COC[C@@H](N)c1nc2ccccc2o1 88001283 573038993 /nfs/dbraw/zinc/03/89/93/573038993.db2.gz PJYNIZBELWXYPO-SSDOTTSWSA-N 0 0 192.218 1.474 10 0 ADAERN CCC[C@@]1(O)C(=O)C[C@@H]1C 238262443 573038996 /nfs/dbraw/zinc/03/89/96/573038996.db2.gz RHPXFZLMGNZKFO-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN CCCN1C(=O)C[C@H](CC)CNC1=O 87982477 573039017 /nfs/dbraw/zinc/03/90/17/573039017.db2.gz CTMITXZCNROLAK-QMMMGPOBSA-N 0 0 198.266 1.365 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCC[C@@H]1C 82432736 573039032 /nfs/dbraw/zinc/03/90/32/573039032.db2.gz GGKBDMLLJOAMCS-KRALRXKRSA-N 0 0 167.252 1.867 10 0 ADAERN CC[C@@H](O)[C@@H](C)c1ccncc1 82444339 573039064 /nfs/dbraw/zinc/03/90/64/573039064.db2.gz ZTZUDMHNPMTDHX-WCBMZHEXSA-N 0 0 165.236 1.956 10 0 ADAERN CC/C=C\C(=O)N1CCOC[C@@H]1C 308233303 573039080 /nfs/dbraw/zinc/03/90/80/573039080.db2.gz PUFSWXVRKXJOCK-WBSSQXGSSA-N 0 0 183.251 1.200 10 0 ADAERN O[C@H](Cc1ccccn1)C1CC1 82431951 573039110 /nfs/dbraw/zinc/03/91/10/573039110.db2.gz PPRQOOXGBQNDHX-SNVBAGLBSA-N 0 0 163.220 1.395 10 0 ADAERN CC[C@](C)(C[NH+]1CC(C)(C)C1)C(=O)[O-] 128432650 573039117 /nfs/dbraw/zinc/03/91/17/573039117.db2.gz YAYLYZYUJLLWHN-LLVKDONJSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1cc(-c2ccncc2)nc(=O)[nH]1 224801291 573039125 /nfs/dbraw/zinc/03/91/25/573039125.db2.gz VEUODWWGTQQNMN-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN C/C(=C/N)c1ccccn1 104587626 573039171 /nfs/dbraw/zinc/03/91/71/573039171.db2.gz OPLWRVRDTPFWJQ-SREVYHEPSA-N 0 0 134.182 1.401 10 0 ADAERN CC(=O)N[C@H]1CCC2=CCC[C@@H]21 113883891 573039134 /nfs/dbraw/zinc/03/91/34/573039134.db2.gz VNBVGVACMQSATH-UWVGGRQHSA-N 0 0 165.236 1.621 10 0 ADAERN Nc1cccnc1N[C@H]1CCCOC1 82431472 573039158 /nfs/dbraw/zinc/03/91/58/573039158.db2.gz ZXULVTXALFIRMM-QMMMGPOBSA-N 0 0 193.250 1.255 10 0 ADAERN CCC[C@@]1(O)C(=O)C[C@H]1C 238262450 573039331 /nfs/dbraw/zinc/03/93/31/573039331.db2.gz RHPXFZLMGNZKFO-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN CCc1nc(C2CC2)[nH]c(=O)c1C 82442196 573039359 /nfs/dbraw/zinc/03/93/59/573039359.db2.gz NPNJGABQVNRYKZ-UHFFFAOYSA-N 0 0 178.235 1.518 10 0 ADAERN CC[C@H](O)[C@@H](C)c1ccccn1 82444273 573039423 /nfs/dbraw/zinc/03/94/23/573039423.db2.gz FKNKHMDYTJALBZ-WPRPVWTQSA-N 0 0 165.236 1.956 10 0 ADAERN C[C@@H](O)c1nc(-c2cccs2)no1 82430332 573039395 /nfs/dbraw/zinc/03/93/95/573039395.db2.gz VEXUBQXCCAIVPQ-RXMQYKEDSA-N 0 0 196.231 1.851 10 0 ADAERN CC[C@](C)(C[NH+]1CC=CC1)C(=O)[O-] 128434881 573039402 /nfs/dbraw/zinc/03/94/02/573039402.db2.gz BQZWWDRDHGDFKG-SNVBAGLBSA-N 0 0 183.251 1.359 10 0 ADAERN C[C@H](O)c1nc(-c2ccccn2)no1 82431938 573039403 /nfs/dbraw/zinc/03/94/03/573039403.db2.gz HXTRXFQEBQJTKR-LURJTMIESA-N 0 0 191.190 1.185 10 0 ADAERN COC[C@@H](NN)C(C)(C)C(C)(C)C 308233330 573039406 /nfs/dbraw/zinc/03/94/06/573039406.db2.gz PUYAXGGCMXIEQY-MRVPVSSYSA-N 0 0 188.315 1.537 10 0 ADAERN CCCCC[C@@H]1OC=C[C@H](O)[C@H]1O 308236986 573039415 /nfs/dbraw/zinc/03/94/15/573039415.db2.gz WNUTUIYMFIVJFR-LPEHRKFASA-N 0 0 186.251 1.201 10 0 ADAERN O[C@H](CC1CC1)[C@@H]1CC12CCOCC2 689880473 573039417 /nfs/dbraw/zinc/03/94/17/573039417.db2.gz INBACNJTFUHEMF-WDEREUQCSA-N 0 0 196.290 1.964 10 0 ADAERN COc1ccc2c(c1)C[C@](C)(O)CC2 123482467 573039455 /nfs/dbraw/zinc/03/94/55/573039455.db2.gz PASSLVXBQIPLQU-GFCCVEGCSA-N 0 0 192.258 1.935 10 0 ADAERN CCCc1noc([C@H](C)O)n1 82430459 573039431 /nfs/dbraw/zinc/03/94/31/573039431.db2.gz BBGINWABTOYXQO-YFKPBYRVSA-N 0 0 156.185 1.075 10 0 ADAERN CCO[C@@H](C)OCCCC[C@@H](C)O 308236902 573039435 /nfs/dbraw/zinc/03/94/35/573039435.db2.gz WLLXLXDVPFLTAR-NXEZZACHSA-N 0 0 190.283 1.937 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1cnns1 714620861 573039442 /nfs/dbraw/zinc/03/94/42/573039442.db2.gz KDGKGVZJRBOBDO-SVRRBLITSA-N 0 0 183.280 1.996 10 0 ADAERN Cc1cnc(N)nc1-c1ccco1 82442067 573039542 /nfs/dbraw/zinc/03/95/42/573039542.db2.gz MPZKCMVCAVMMLL-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC[C@@H](O)[C@H](C)c1ccccn1 82444276 573039506 /nfs/dbraw/zinc/03/95/06/573039506.db2.gz FKNKHMDYTJALBZ-PSASIEDQSA-N 0 0 165.236 1.956 10 0 ADAERN COC[C@@H](O)CCc1ccoc1 131871073 573039508 /nfs/dbraw/zinc/03/95/08/573039508.db2.gz NYHKKUSEXPJAJV-VIFPVBQESA-N 0 0 170.208 1.220 10 0 ADAERN COC(C[C@@H](C)[C@@H](O)C(C)C)OC 308233194 573039480 /nfs/dbraw/zinc/03/94/80/573039480.db2.gz UQWICRHCIZLSLK-SCZZXKLOSA-N 0 0 190.283 1.648 10 0 ADAERN Cc1ccc(=O)cc(C)c1N 104586267 573039489 /nfs/dbraw/zinc/03/94/89/573039489.db2.gz XFQLSYQTIUTJCK-UHFFFAOYSA-N 0 0 149.193 1.246 10 0 ADAERN O=C1CS/C(=C\c2ccccc2)N1 224578123 573039579 /nfs/dbraw/zinc/03/95/79/573039579.db2.gz KHWNXVUNXFZXAD-POHAHGRESA-N 0 0 191.255 1.848 10 0 ADAERN CCCc1noc([C@@H](C)O)n1 82430458 573039580 /nfs/dbraw/zinc/03/95/80/573039580.db2.gz BBGINWABTOYXQO-RXMQYKEDSA-N 0 0 156.185 1.075 10 0 ADAERN COc1ccccc1C[C@H](C)ON 259316640 573039624 /nfs/dbraw/zinc/03/96/24/573039624.db2.gz CNCYHXVCHDFOTA-QMMMGPOBSA-N 0 0 181.235 1.517 10 0 ADAERN CCCCc1n[nH]cc1CO 238260540 573039631 /nfs/dbraw/zinc/03/96/31/573039631.db2.gz XNXVWTKFCVAYFA-UHFFFAOYSA-N 0 0 154.213 1.245 10 0 ADAERN CN(C)/C=C/C(=O)Nc1nccs1 141836329 573039656 /nfs/dbraw/zinc/03/96/56/573039656.db2.gz YABNUHAPOLNHEU-HWKANZROSA-N 0 0 197.263 1.157 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1[C@@]1(C)CC1(C)C 717064112 573039661 /nfs/dbraw/zinc/03/96/61/573039661.db2.gz LJWANVQXJITFDS-VAOFZXAKSA-N 0 0 181.279 1.805 10 0 ADAERN CCCC1(O)CN(Cc2ccoc2)C1 131876714 573039665 /nfs/dbraw/zinc/03/96/65/573039665.db2.gz YFWGVPKCNDMARZ-UHFFFAOYSA-N 0 0 195.262 1.626 10 0 ADAERN CCc1nc(COC)nc(NC)c1C 82445111 573039670 /nfs/dbraw/zinc/03/96/70/573039670.db2.gz UKIORFDVVKHAJZ-UHFFFAOYSA-N 0 0 195.266 1.536 10 0 ADAERN CCO[C@H](C)OCCCC[C@@H](C)O 308236906 573039689 /nfs/dbraw/zinc/03/96/89/573039689.db2.gz WLLXLXDVPFLTAR-ZJUUUORDSA-N 0 0 190.283 1.937 10 0 ADAERN CC1N=NC(=O)N[C@@H]1c1ccccc1 238260458 573039714 /nfs/dbraw/zinc/03/97/14/573039714.db2.gz QHWLUGAFSBSUEO-VIFPVBQESA-N 0 0 189.218 1.416 10 0 ADAERN Nc1cccc(NF)c1 104587542 573039725 /nfs/dbraw/zinc/03/97/25/573039725.db2.gz IVHRXFBIIZXYCI-UHFFFAOYSA-N 0 0 126.134 1.565 10 0 ADAERN C[C@H](CC1CC1)Nc1nnc(N)o1 235446355 573039728 /nfs/dbraw/zinc/03/97/28/573039728.db2.gz WXIORKDQNOHPAY-RXMQYKEDSA-N 0 0 182.227 1.252 10 0 ADAERN CCOc1nc(=O)[nH]c(C)c1CC 238262478 573039771 /nfs/dbraw/zinc/03/97/71/573039771.db2.gz DSEOCIFPDZVNPK-UHFFFAOYSA-N 0 0 182.223 1.039 10 0 ADAERN C[C@H](O)c1nc(C(C)(C)C)no1 82430290 573039786 /nfs/dbraw/zinc/03/97/86/573039786.db2.gz DWKPTZPFZXJANG-YFKPBYRVSA-N 0 0 170.212 1.420 10 0 ADAERN CN(C#N)c1ccccc1N 104585026 573039797 /nfs/dbraw/zinc/03/97/97/573039797.db2.gz CAFXAOVFDLPLED-UHFFFAOYSA-N 0 0 147.181 1.186 10 0 ADAERN C[C@@H]1C[C@@]1(C)C[NH+]1CC(C(=O)[O-])C1 714620838 573039805 /nfs/dbraw/zinc/03/98/05/573039805.db2.gz KCVNAYFBUXIUSM-XCBNKYQSSA-N 0 0 183.251 1.049 10 0 ADAERN CC[C@@H](C)c1ccnc(N)n1 82442040 573039839 /nfs/dbraw/zinc/03/98/39/573039839.db2.gz FHHWWCKGCFKWNQ-ZCFIWIBFSA-N 0 0 151.213 1.572 10 0 ADAERN CCCc1nc(CC)c(C)c(=O)[nH]1 82442208 573039845 /nfs/dbraw/zinc/03/98/45/573039845.db2.gz CSJXRAOZHZFXJM-UHFFFAOYSA-N 0 0 180.251 1.593 10 0 ADAERN O=Cc1ncnc2c(F)cccc12 257928054 573039866 /nfs/dbraw/zinc/03/98/66/573039866.db2.gz SKXBLZHAHRBOFQ-UHFFFAOYSA-N 0 0 176.150 1.581 10 0 ADAERN CC(C)(C)C(C)(C)NC=O 104585525 573039877 /nfs/dbraw/zinc/03/98/77/573039877.db2.gz FGEKUIJCVVCFCU-UHFFFAOYSA-N 0 0 143.230 1.557 10 0 ADAERN CCCC[C@@]1(C)O[C@H]1CO 224814833 573039885 /nfs/dbraw/zinc/03/98/85/573039885.db2.gz PHEFJFYJMGJSLF-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN NC(=O)Oc1cccc(F)c1 113843288 573039888 /nfs/dbraw/zinc/03/98/88/573039888.db2.gz ZZEKCIVZXFBRJV-UHFFFAOYSA-N 0 0 155.128 1.283 10 0 ADAERN C[C@H]1OC(C)(C)O[C@H](C)C1=O 224815786 573039896 /nfs/dbraw/zinc/03/98/96/573039896.db2.gz KWMQMVKGFLHVGD-PHDIDXHHSA-N 0 0 158.197 1.115 10 0 ADAERN O=C1NC[C@H]2C3CCC(CC3)[C@H]12 141839618 573039916 /nfs/dbraw/zinc/03/99/16/573039916.db2.gz JOMCRKMIGLUQMQ-PEBLOWIWSA-N 0 0 165.236 1.169 10 0 ADAERN CC(C)C[C@@H]1C[C@@H](O)C=CO1 224815646 573039963 /nfs/dbraw/zinc/03/99/63/573039963.db2.gz JFRFGRIVSKZWNS-DTWKUNHWSA-N 0 0 156.225 1.696 10 0 ADAERN C/C=C/C(=O)OC(F)(F)F 113867611 573039969 /nfs/dbraw/zinc/03/99/69/573039969.db2.gz JCMGIOSRCQEGQK-NSCUHMNNSA-N 0 0 154.087 1.626 10 0 ADAERN NC(C=O)c1cccs1 104587559 573040019 /nfs/dbraw/zinc/04/00/19/573040019.db2.gz NBQVTYJFYJXIRB-PLNGDYQASA-N 0 0 141.195 1.563 10 0 ADAERN CC(C)(ON)[C@H]1CCCS1 259316611 573040033 /nfs/dbraw/zinc/04/00/33/573040033.db2.gz CMQUCCACPWKRSH-ZCFIWIBFSA-N 0 0 161.270 1.551 10 0 ADAERN COC(=O)c1cc(NC(C)C)ccn1 85446845 573040077 /nfs/dbraw/zinc/04/00/77/573040077.db2.gz ZWKVUFLUYUCYDM-UHFFFAOYSA-N 0 0 194.234 1.689 10 0 ADAERN C[C@@H]([NH3+])Cc1cc([O-])ccc1C=O 257933328 573040088 /nfs/dbraw/zinc/04/00/88/573040088.db2.gz BZDOLNUVMFJSBE-SSDOTTSWSA-N 0 0 179.219 1.094 10 0 ADAERN CCC1C[NH+](C[C@@](C)(CC)C(=O)[O-])C1 128431068 573040113 /nfs/dbraw/zinc/04/01/13/573040113.db2.gz UDYIYVVHXMDSBY-LLVKDONJSA-N 0 0 199.294 1.829 10 0 ADAERN COC[C@H]1Nc2ccccc2NC1=O 88001937 573040147 /nfs/dbraw/zinc/04/01/47/573040147.db2.gz FHISFWMJSMCEKD-SECBINFHSA-N 0 0 192.218 1.066 10 0 ADAERN CCC[C@@H](O)[C@H]1CCCC(=O)C1 238260496 573040187 /nfs/dbraw/zinc/04/01/87/573040187.db2.gz XPLOSNHEUARNSO-WCBMZHEXSA-N 0 0 170.252 1.907 10 0 ADAERN COC[C@@H]1CNc2cc(F)ccc2N1 88002011 573040255 /nfs/dbraw/zinc/04/02/55/573040255.db2.gz DFHYZUUPYHTKRD-QMMMGPOBSA-N 0 0 196.225 1.678 10 0 ADAERN CC[C@@H](O)C(=O)N(CC)C1CCC1 308233339 573040321 /nfs/dbraw/zinc/04/03/21/573040321.db2.gz PVFXCDDWLBQGSS-SECBINFHSA-N 0 0 185.267 1.158 10 0 ADAERN CCC[C@@H](C)[C@H](O)CCOC(C)=O 393569002 573040294 /nfs/dbraw/zinc/04/02/94/573040294.db2.gz ZSLJFVWQHOHIPG-PSASIEDQSA-N 0 0 188.267 1.737 10 0 ADAERN CC[C@](C)(C[N@@H+]1CC[C@@H]1C)C(=O)[O-] 128435323 573040315 /nfs/dbraw/zinc/04/03/15/573040315.db2.gz TXDHSXUVSLRAOA-WCBMZHEXSA-N 0 0 185.267 1.582 10 0 ADAERN COC[C@H]1CNc2cc(C)cnc2N1 88002018 573040338 /nfs/dbraw/zinc/04/03/38/573040338.db2.gz NVBVFXDMPJKAOV-MRVPVSSYSA-N 0 0 193.250 1.242 10 0 ADAERN CC1N=NC(=O)N[C@H]1c1ccccc1 238260480 573040351 /nfs/dbraw/zinc/04/03/51/573040351.db2.gz QHWLUGAFSBSUEO-SECBINFHSA-N 0 0 189.218 1.416 10 0 ADAERN Cn1nc(C=O)c2c1CCC[C@@H]2F 257928086 573040398 /nfs/dbraw/zinc/04/03/98/573040398.db2.gz SMPRBDORKRMTCR-LURJTMIESA-N 0 0 182.198 1.580 10 0 ADAERN Cc1cc(-c2ccccn2)nc(=O)[nH]1 224801164 573040411 /nfs/dbraw/zinc/04/04/11/573040411.db2.gz UPHVDJMKWPBPGV-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN COc1ccc2c(c1)[C@H]([C@H](C)O)CO2 257927693 573040418 /nfs/dbraw/zinc/04/04/18/573040418.db2.gz CKUNHIJRJXLDSW-XVKPBYJWSA-N 0 0 194.230 1.552 10 0 ADAERN CC[C@H](C)[NH2+]C[C@](C)(CC)C(=O)[O-] 128429483 573040427 /nfs/dbraw/zinc/04/04/27/573040427.db2.gz DFOBSQCDJNHVCV-WPRPVWTQSA-N 0 0 187.283 1.875 10 0 ADAERN Cc1cccc(-c2ncc(N)cn2)n1 82451233 573041096 /nfs/dbraw/zinc/04/10/96/573041096.db2.gz SCFYDPHOIGXBTC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCO[C@@H]1CC(=O)[C@@H]1C(C)C 238262681 573040483 /nfs/dbraw/zinc/04/04/83/573040483.db2.gz UGZIUHAYPMNOSH-BDAKNGLRSA-N 0 0 156.225 1.637 10 0 ADAERN CC[C@H]1CNC(=O)N(C(C)C)C(=O)C1 87982481 573040494 /nfs/dbraw/zinc/04/04/94/573040494.db2.gz ZQFPDWKBMVAILB-MRVPVSSYSA-N 0 0 198.266 1.363 10 0 ADAERN CCC[C@]1(C)CCC(=O)NC1=O 238260515 573040519 /nfs/dbraw/zinc/04/05/19/573040519.db2.gz KOZRKJBRXUETLY-SECBINFHSA-N 0 0 169.224 1.229 10 0 ADAERN CCCC(=O)CO[C@@H]1CCOC1 82454345 573040520 /nfs/dbraw/zinc/04/05/20/573040520.db2.gz NRVBEBNLOIJYCU-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN CNC(=S)c1ccco1 104586602 573040522 /nfs/dbraw/zinc/04/05/22/573040522.db2.gz PUWQVMCBXRZHMT-UHFFFAOYSA-N 0 0 141.195 1.175 10 0 ADAERN CC(C)[C@@](C[NH3+])(C(=O)[O-])[C@H](C)F 257928119 573040538 /nfs/dbraw/zinc/04/05/38/573040538.db2.gz SNOSGYCVIOKCAC-POYBYMJQSA-N 0 0 177.219 1.030 10 0 ADAERN CC(C)(O)C[C@H]1[C@H](CCO)C1(C)C 308233707 573040539 /nfs/dbraw/zinc/04/05/39/573040539.db2.gz UWFPMRLYGWUGKQ-IUCAKERBSA-N 0 0 186.295 1.802 10 0 ADAERN CCN(CC)C(=O)[C@H](C)CCOC 308237991 573040552 /nfs/dbraw/zinc/04/05/52/573040552.db2.gz RMFWQGDIZCNPCK-SECBINFHSA-N 0 0 187.283 1.527 10 0 ADAERN O=c1[nH]c(C2CCC2)co1 257933888 573040566 /nfs/dbraw/zinc/04/05/66/573040566.db2.gz BAFNTUHAHYASRQ-UHFFFAOYSA-N 0 0 139.154 1.648 10 0 ADAERN C/C=C/[C@H](C)[C@H](C)C(N)=O 104586245 573040576 /nfs/dbraw/zinc/04/05/76/573040576.db2.gz UPQRNZUYMQQXES-UGLWGPHMSA-N 0 0 141.214 1.320 10 0 ADAERN NOc1ccc(Cl)o1 257933489 573040580 /nfs/dbraw/zinc/04/05/80/573040580.db2.gz KZPGPZQIODXZFG-UHFFFAOYSA-N 0 0 133.534 1.186 10 0 ADAERN C[C@@H](CO)CC1(C)COC1 258471961 573040604 /nfs/dbraw/zinc/04/06/04/573040604.db2.gz APQLVOMGYPIIIS-SSDOTTSWSA-N 0 0 144.214 1.041 10 0 ADAERN CCC1C[NH+](C[C@](C)(CC)C(=O)[O-])C1 128431289 573040642 /nfs/dbraw/zinc/04/06/42/573040642.db2.gz UDYIYVVHXMDSBY-NSHDSACASA-N 0 0 199.294 1.829 10 0 ADAERN Cc1cnc(CO)n1C(C)C 257933529 573040648 /nfs/dbraw/zinc/04/06/48/573040648.db2.gz UBOYJCFQWINMBV-UHFFFAOYSA-N 0 0 154.213 1.265 10 0 ADAERN CCOc1nc(Br)co1 238262607 573040649 /nfs/dbraw/zinc/04/06/49/573040649.db2.gz ZVRKNZSGJQTNMM-UHFFFAOYSA-N 0 0 192.012 1.836 10 0 ADAERN CCNC(=O)C1=C(C)OC=CS1 238260477 573040656 /nfs/dbraw/zinc/04/06/56/573040656.db2.gz GRWQRZQUUJSWSJ-UHFFFAOYSA-N 0 0 185.248 1.589 10 0 ADAERN C[C@H]1C[C@]1(C)CNc1cnns1 714620859 573040671 /nfs/dbraw/zinc/04/06/71/573040671.db2.gz KDGKGVZJRBOBDO-POYBYMJQSA-N 0 0 183.280 1.996 10 0 ADAERN CC[C@@H]1CCC[C@H](CO)C1=O 238262555 573040693 /nfs/dbraw/zinc/04/06/93/573040693.db2.gz USUXDLBNRBHCMP-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CC[C@@H](COC)N1CCC(F)(F)C1 308233705 573040694 /nfs/dbraw/zinc/04/06/94/573040694.db2.gz PYIMABKPIMBOSS-QMMMGPOBSA-N 0 0 193.237 1.752 10 0 ADAERN Cc1cccc(-c2nccc(C=O)n2)n1 82451916 573040715 /nfs/dbraw/zinc/04/07/15/573040715.db2.gz TUGVPHMIJBWQMQ-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN C[C@H]([NH3+])Cc1cc([O-])ccc1C=O 257933344 573040787 /nfs/dbraw/zinc/04/07/87/573040787.db2.gz BZDOLNUVMFJSBE-ZETCQYMHSA-N 0 0 179.219 1.094 10 0 ADAERN C/C(N)=C/Oc1ccccc1 104586169 573040806 /nfs/dbraw/zinc/04/08/06/573040806.db2.gz YQCJFUPAFBRHNL-FPLPWBNLSA-N 0 0 149.193 1.885 10 0 ADAERN OCCc1ncc2c(F)cccn12 257933467 573040815 /nfs/dbraw/zinc/04/08/15/573040815.db2.gz TZLZOSDDNUTKKD-UHFFFAOYSA-N 0 0 180.182 1.008 10 0 ADAERN CSC(=O)NC(C)C 104585528 573040816 /nfs/dbraw/zinc/04/08/16/573040816.db2.gz GDVQMNQRBNJSSF-UHFFFAOYSA-N 0 0 133.216 1.467 10 0 ADAERN NC(F)(F)c1ccccc1 104585054 573040822 /nfs/dbraw/zinc/04/08/22/573040822.db2.gz MLTRGGSJZMHBNQ-UHFFFAOYSA-N 0 0 143.136 1.695 10 0 ADAERN Cc1ccc(F)c2c1C[C@H](C)NC2=O 235691972 573040828 /nfs/dbraw/zinc/04/08/28/573040828.db2.gz FOUMYNDDAYPFME-ZETCQYMHSA-N 0 0 193.221 1.809 10 0 ADAERN COC(=O)[C@H]1[C@H](CCO)CC[C@H]1C 308236881 573040836 /nfs/dbraw/zinc/04/08/36/573040836.db2.gz WLCQWBDBUFYTDT-HRDYMLBCSA-N 0 0 186.251 1.204 10 0 ADAERN COC1=CCc2[nH]ccc2C1 104585462 573040849 /nfs/dbraw/zinc/04/08/49/573040849.db2.gz CVLBXFQCBFSUOT-UHFFFAOYSA-N 0 0 149.193 1.644 10 0 ADAERN CCn1nnc2cc(O)ccc21 77018998 573040858 /nfs/dbraw/zinc/04/08/58/573040858.db2.gz MKFQOXAOLOVYMG-UHFFFAOYSA-N 0 0 163.180 1.157 10 0 ADAERN CCCC[C@@]1(C)O[C@@H]1CO 224814879 573040867 /nfs/dbraw/zinc/04/08/67/573040867.db2.gz PHEFJFYJMGJSLF-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN Nc1cc2c([nH]c1=O)CCSC2 257933451 573040880 /nfs/dbraw/zinc/04/08/80/573040880.db2.gz TZHRESOJJHUZEX-UHFFFAOYSA-N 0 0 182.248 1.159 10 0 ADAERN O=C1N[C@@H](C2CCSCC2)CO1 257928089 573040885 /nfs/dbraw/zinc/04/08/85/573040885.db2.gz SMTKQZUDXGUBBY-SSDOTTSWSA-N 0 0 187.264 1.238 10 0 ADAERN COc1ccc2c(c1)[C@@H]([C@H](C)O)CO2 257927687 573041743 /nfs/dbraw/zinc/04/17/43/573041743.db2.gz CKUNHIJRJXLDSW-OIBJUYFYSA-N 0 0 194.230 1.552 10 0 ADAERN CCNC(=O)C(F)C(F)=C(F)F 238250083 573040889 /nfs/dbraw/zinc/04/08/89/573040889.db2.gz QTEAFFZYIAFIRO-BYPYZUCNSA-N 0 0 185.120 1.538 10 0 ADAERN COC[C@H](NN)C(C)(C)C(C)(C)C 308233332 573040898 /nfs/dbraw/zinc/04/08/98/573040898.db2.gz PUYAXGGCMXIEQY-QMMMGPOBSA-N 0 0 188.315 1.537 10 0 ADAERN CC[C@@](C)(C[NH+]1CC2(CC2)C1)C(=O)[O-] 128430622 573040910 /nfs/dbraw/zinc/04/09/10/573040910.db2.gz SPRKBOUGPCMFNI-JTQLQIEISA-N 0 0 197.278 1.583 10 0 ADAERN CCn1c(C(=O)OC)cnc1C(C)C 259317957 573042662 /nfs/dbraw/zinc/04/26/62/573042662.db2.gz JYUSLCQCWMZINX-UHFFFAOYSA-N 0 0 196.250 1.813 10 0 ADAERN CC[C@@H](O)[C@@H](C)c1nc(C)no1 82447554 573040920 /nfs/dbraw/zinc/04/09/20/573040920.db2.gz HJHHNNVZFYTPQZ-IYSWYEEDSA-N 0 0 170.212 1.252 10 0 ADAERN COC[C@@H]1CNc2c(F)cccc2N1 88002027 573040923 /nfs/dbraw/zinc/04/09/23/573040923.db2.gz LSPTVCIKZXVXJB-ZETCQYMHSA-N 0 0 196.225 1.678 10 0 ADAERN CC1=C(c2ccccc2)CNC1=O 238250309 573040959 /nfs/dbraw/zinc/04/09/59/573040959.db2.gz YKTLZEBAKGQAPK-UHFFFAOYSA-N 0 0 173.215 1.590 10 0 ADAERN COC(=O)c1cc(NC2CC2)ccn1 85446864 573041002 /nfs/dbraw/zinc/04/10/02/573041002.db2.gz JFTKOPHZSYOZAZ-UHFFFAOYSA-N 0 0 192.218 1.443 10 0 ADAERN CCc1cccc(CON)c1 224808415 573041010 /nfs/dbraw/zinc/04/10/10/573041010.db2.gz UUVDRBGBZTZFBN-UHFFFAOYSA-N 0 0 151.209 1.639 10 0 ADAERN CCC(CC)N(C)C(=O)[C@@H]1CCO1 308236759 573041037 /nfs/dbraw/zinc/04/10/37/573041037.db2.gz RBZSBQLQNUFZID-VIFPVBQESA-N 0 0 185.267 1.422 10 0 ADAERN COC[C@@H]1CNc2ccc(C)cc2N1 88002009 573041056 /nfs/dbraw/zinc/04/10/56/573041056.db2.gz AQCZKXKCNOXBGZ-VIFPVBQESA-N 0 0 192.262 1.847 10 0 ADAERN CC[C@@H](F)COC(=O)C1(O)CCC1 308233402 573041060 /nfs/dbraw/zinc/04/10/60/573041060.db2.gz PWTNWXMALZZKGX-SSDOTTSWSA-N 0 0 190.214 1.193 10 0 ADAERN O=c1[nH]cccc1Nc1nccs1 113906295 573041061 /nfs/dbraw/zinc/04/10/61/573041061.db2.gz MPYSGONFNUUCBN-UHFFFAOYSA-N 0 0 193.231 1.575 10 0 ADAERN CC[C@@H](O)[C@@H](C)CCOC 82447921 573041074 /nfs/dbraw/zinc/04/10/74/573041074.db2.gz FDMGCCWZJJNGLI-JGVFFNPUSA-N 0 0 146.230 1.430 10 0 ADAERN CC/C=C/C(=O)N[C@H](C)CCOC 308233357 573041088 /nfs/dbraw/zinc/04/10/88/573041088.db2.gz PVNDYWRYTIFOTF-VUHVRTRXSA-N 0 0 185.267 1.494 10 0 ADAERN NOCC1(CCO)CCCCC1 257933399 573041109 /nfs/dbraw/zinc/04/11/09/573041109.db2.gz TYDUOMWHZCQAJI-UHFFFAOYSA-N 0 0 173.256 1.210 10 0 ADAERN CCCCCO[C@@H]1OCCC[C@@H]1O 308233223 573041142 /nfs/dbraw/zinc/04/11/42/573041142.db2.gz USHFLLZIWXBCQI-VHSXEESVSA-N 0 0 188.267 1.691 10 0 ADAERN CC(C)Cn1nnc2cc(O)ccc21 77019004 573041186 /nfs/dbraw/zinc/04/11/86/573041186.db2.gz BDQUXDJMUBBYKA-UHFFFAOYSA-N 0 0 191.234 1.793 10 0 ADAERN Nc1ccccc1OCF 104586318 573041198 /nfs/dbraw/zinc/04/11/98/573041198.db2.gz YZMGQVAETKJRSF-UHFFFAOYSA-N 0 0 141.145 1.575 10 0 ADAERN CCN(CCC(C)(C)O)CC(F)F 308233765 573041201 /nfs/dbraw/zinc/04/12/01/573041201.db2.gz QAKBGXIFTSVCTN-UHFFFAOYSA-N 0 0 195.253 1.734 10 0 ADAERN CC1=CC(=O)N([C@@H]2C[C@@H]2C2CC2)C1=O 717065138 573041236 /nfs/dbraw/zinc/04/12/36/573041236.db2.gz NUPPTZBHIGPZLB-RKDXNWHRSA-N 0 0 191.230 1.100 10 0 ADAERN CC1(C)NC(=S)N=NC2CCC[C@H]21 238250085 573041307 /nfs/dbraw/zinc/04/13/07/573041307.db2.gz AQHUNKVPFYEJQV-ZCFIWIBFSA-N 0 0 197.307 1.399 10 0 ADAERN NC1(C(=O)c2ccccc2O)CC1 257928026 573041279 /nfs/dbraw/zinc/04/12/79/573041279.db2.gz SKCVUHXWDOGOOJ-UHFFFAOYSA-N 0 0 177.203 1.066 10 0 ADAERN CCCCC[C@@H]1OC=C[C@@H](O)[C@@H]1O 308236989 573041348 /nfs/dbraw/zinc/04/13/48/573041348.db2.gz WNUTUIYMFIVJFR-UTLUCORTSA-N 0 0 186.251 1.201 10 0 ADAERN CC[C@@](C)(C[N@@H+]1CC[C@@H]1C)C(=O)[O-] 128435078 573041354 /nfs/dbraw/zinc/04/13/54/573041354.db2.gz TXDHSXUVSLRAOA-WPRPVWTQSA-N 0 0 185.267 1.582 10 0 ADAERN CCC(C(N)=O)=C1CCCC1 238250131 573041356 /nfs/dbraw/zinc/04/13/56/573041356.db2.gz IJPUJEUPSBVVJT-UHFFFAOYSA-N 0 0 153.225 1.752 10 0 ADAERN CC(=O)c1noc([C@H]2CCCOC2)n1 257934171 573041358 /nfs/dbraw/zinc/04/13/58/573041358.db2.gz HJNCXQFSIUJRFJ-ZETCQYMHSA-N 0 0 196.206 1.166 10 0 ADAERN CCNC(=O)n1nnc2ccccc21 238262643 573041390 /nfs/dbraw/zinc/04/13/90/573041390.db2.gz FMQFJHFULYLKEX-UHFFFAOYSA-N 0 0 190.206 1.009 10 0 ADAERN CCNC(=O)c1nc2ccccc2o1 238262359 573041425 /nfs/dbraw/zinc/04/14/25/573041425.db2.gz VRZQARXNCLOPGF-UHFFFAOYSA-N 0 0 190.202 1.578 10 0 ADAERN CCC[N@H+](CC(=O)[O-])C[C@]1(C)C[C@@H]1C 714620882 573041510 /nfs/dbraw/zinc/04/15/10/573041510.db2.gz KFBGONJJTQWEAY-ONGXEEELSA-N 0 0 199.294 1.829 10 0 ADAERN Nc1nc(C[C@@H]2CCCCS2)no1 257934073 573041734 /nfs/dbraw/zinc/04/17/34/573041734.db2.gz HICHLLJZMACMOP-LURJTMIESA-N 0 0 199.279 1.480 10 0 ADAERN COC(=O)Cc1ccc(N(C)C)o1 259599894 573041551 /nfs/dbraw/zinc/04/15/51/573041551.db2.gz CQGZCWJVWZTAHV-UHFFFAOYSA-N 0 0 183.207 1.061 10 0 ADAERN CC(C)Oc1cc(=O)[nH]c(C2CC2)n1 224804268 573041559 /nfs/dbraw/zinc/04/15/59/573041559.db2.gz GEGYDILEPHXNIK-UHFFFAOYSA-N 0 0 194.234 1.435 10 0 ADAERN O=C1NC[C@@H]2C3CCC(CC3)[C@@H]12 141840228 573041571 /nfs/dbraw/zinc/04/15/71/573041571.db2.gz JOMCRKMIGLUQMQ-GEPGNKONSA-N 0 0 165.236 1.169 10 0 ADAERN CCc1c(N)nc(C(C)(C)C)[nH]c1=O 82450816 573041573 /nfs/dbraw/zinc/04/15/73/573041573.db2.gz VOWADJKPXBCYSD-UHFFFAOYSA-N 0 0 195.266 1.212 10 0 ADAERN COC(=O)[C@@H]1[C@H](C)CC[C@@H]1CCO 308236883 573041585 /nfs/dbraw/zinc/04/15/85/573041585.db2.gz WLCQWBDBUFYTDT-IWSPIJDZSA-N 0 0 186.251 1.204 10 0 ADAERN Nc1ccc2c(F)cccn2c1=O 259599380 573041595 /nfs/dbraw/zinc/04/15/95/573041595.db2.gz DAVSZTYYBMDJTB-UHFFFAOYSA-N 0 0 178.166 1.021 10 0 ADAERN CC(C)C[C@H]1C[C@H](O)C=CO1 224815601 573041620 /nfs/dbraw/zinc/04/16/20/573041620.db2.gz JFRFGRIVSKZWNS-BDAKNGLRSA-N 0 0 156.225 1.696 10 0 ADAERN Cn1nc(N)c2c1CCC2(F)F 257928059 573041629 /nfs/dbraw/zinc/04/16/29/573041629.db2.gz SLCGJMHKEYZBAE-UHFFFAOYSA-N 0 0 173.166 1.040 10 0 ADAERN CCN1O[C@H]1c1ccc(C=O)cc1 238250173 573041634 /nfs/dbraw/zinc/04/16/34/573041634.db2.gz ZDNMPIBTIIOJMM-VUWPPUDQSA-N 0 0 177.203 1.765 10 0 ADAERN CC=C(C)C=O 113904832 573041636 /nfs/dbraw/zinc/04/16/36/573041636.db2.gz HGMGUWOHGSNRGH-PLNGDYQASA-N 0 0 84.118 1.634 10 0 ADAERN CCCCC(=O)N[C@@H]1CCCC1=O 308237037 573041683 /nfs/dbraw/zinc/04/16/83/573041683.db2.gz RDEIYWQYUNGNMA-MRVPVSSYSA-N 0 0 183.251 1.414 10 0 ADAERN CCN1CCc2cc(O)ccc2C1=O 113903873 573041689 /nfs/dbraw/zinc/04/16/89/573041689.db2.gz XTNFFJIQFKYIJP-UHFFFAOYSA-N 0 0 191.230 1.410 10 0 ADAERN CC(C)[C@@](C[NH3+])(C(=O)[O-])[C@@H](C)F 257928116 573043647 /nfs/dbraw/zinc/04/36/47/573043647.db2.gz SNOSGYCVIOKCAC-HTRCEHHLSA-N 0 0 177.219 1.030 10 0 ADAERN COc1ncnc(NC2CC2)c1C 85485194 573043664 /nfs/dbraw/zinc/04/36/64/573043664.db2.gz ZPZWHFSKWZQLIO-UHFFFAOYSA-N 0 0 179.223 1.368 10 0 ADAERN Cc1oc(CN)nc1CC(C)C 257933427 573043855 /nfs/dbraw/zinc/04/38/55/573043855.db2.gz AZAHRCMVAJFLEU-UHFFFAOYSA-N 0 0 168.240 1.640 10 0 ADAERN COC(=O)[C@H](C)c1cc(C)n(C)n1 259599873 573042360 /nfs/dbraw/zinc/04/23/60/573042360.db2.gz CPWCBVKGJVIYHZ-SSDOTTSWSA-N 0 0 182.223 1.005 10 0 ADAERN CCC(C(N)=O)=C(SC)SC 238250119 573042374 /nfs/dbraw/zinc/04/23/74/573042374.db2.gz SCZKDOMVJURFAN-UHFFFAOYSA-N 0 0 191.321 1.819 10 0 ADAERN CC(=O)[C@H](C)CCCF 88025976 573042378 /nfs/dbraw/zinc/04/23/78/573042378.db2.gz ZJUNKIFNVLAGAQ-ZCFIWIBFSA-N 0 0 132.178 1.961 10 0 ADAERN Cc1nnn(-c2ccccc2)c1N 257928111 573043670 /nfs/dbraw/zinc/04/36/70/573043670.db2.gz SNJXYACCLWPUPH-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Nc1ccc2c(c1)N(CCCF)CC2 88025678 573042408 /nfs/dbraw/zinc/04/24/08/573042408.db2.gz KINCBRUVKSXFAE-UHFFFAOYSA-N 0 0 194.253 1.991 10 0 ADAERN COc1cc(N[C@@H]2C[C@@H]2C)nc(C)n1 85485526 573042413 /nfs/dbraw/zinc/04/24/13/573042413.db2.gz IHGLKXSSZKAZFC-POYBYMJQSA-N 0 0 193.250 1.614 10 0 ADAERN CC/C=C/C(=O)N[C@H](CO)C(C)C 308233311 573042477 /nfs/dbraw/zinc/04/24/77/573042477.db2.gz PUHUISQEYXEGPD-VUHVRTRXSA-N 0 0 185.267 1.086 10 0 ADAERN CC1=C[C@H]2CC(=O)[C@@H](C1)C2 238250153 573042492 /nfs/dbraw/zinc/04/24/92/573042492.db2.gz IGXOKTCUPITBPP-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN Nc1n[nH]c2c1C(F)(F)CC2 258472977 573042494 /nfs/dbraw/zinc/04/24/94/573042494.db2.gz IMONOQLLUHUNKN-UHFFFAOYSA-N 0 0 159.139 1.030 10 0 ADAERN Cc1c(N)nc(CCC(C)C)[nH]c1=O 82450780 573042507 /nfs/dbraw/zinc/04/25/07/573042507.db2.gz LKCQBNPGJYIKOG-UHFFFAOYSA-N 0 0 195.266 1.249 10 0 ADAERN CCOC(=O)CC/C(C)=C/CO 238259460 573044715 /nfs/dbraw/zinc/04/47/15/573044715.db2.gz FQIKTQVHQFXHHI-SOFGYWHQSA-N 0 0 172.224 1.268 10 0 ADAERN COc1ccc2c(c1)[C@@H]([C@@H](C)O)CO2 257927684 573042564 /nfs/dbraw/zinc/04/25/64/573042564.db2.gz CKUNHIJRJXLDSW-GMSGAONNSA-N 0 0 194.230 1.552 10 0 ADAERN CNc1cc(OC(C)C)ncn1 85485617 573042570 /nfs/dbraw/zinc/04/25/70/573042570.db2.gz QFRDQIQAEVYROL-UHFFFAOYSA-N 0 0 167.212 1.306 10 0 ADAERN COc1ccsc1-c1cc(N)on1 88028689 573042596 /nfs/dbraw/zinc/04/25/96/573042596.db2.gz ORIAKLDDULCHKA-UHFFFAOYSA-N 0 0 196.231 1.994 10 0 ADAERN COc1ccsc1-c1nnc(N)o1 88028342 573042622 /nfs/dbraw/zinc/04/26/22/573042622.db2.gz ANWOXYQBAZAITA-UHFFFAOYSA-N 0 0 197.219 1.389 10 0 ADAERN CCCNc1ncnc(OC)c1C 85485183 573042634 /nfs/dbraw/zinc/04/26/34/573042634.db2.gz UFFBEDWOQYTVPC-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN Nc1cccc(CO[C@H]2CCOC2)c1 82452727 573042640 /nfs/dbraw/zinc/04/26/40/573042640.db2.gz KOWHRSSRLTWKLG-NSHDSACASA-N 0 0 193.246 1.574 10 0 ADAERN CC[C@@H](O)[C@H](C)c1nc(C)no1 82447558 573042693 /nfs/dbraw/zinc/04/26/93/573042693.db2.gz HJHHNNVZFYTPQZ-CAHLUQPWSA-N 0 0 170.212 1.252 10 0 ADAERN CCN(CC)c1cc[nH]c(=O)c1C 238262430 573042703 /nfs/dbraw/zinc/04/27/03/573042703.db2.gz DPZCNNRCLIVPAH-UHFFFAOYSA-N 0 0 180.251 1.530 10 0 ADAERN CC1(C)CCN(c2cncc(N)n2)C1 85486007 573042708 /nfs/dbraw/zinc/04/27/08/573042708.db2.gz LSGOJPMWNFPTDS-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN C[C@@H]1CCCCC[C@@]1([NH3+])CC(=O)[O-] 113893715 573042716 /nfs/dbraw/zinc/04/27/16/573042716.db2.gz UKHGFEUVFKDPSE-PSASIEDQSA-N 0 0 185.267 1.759 10 0 ADAERN CC[C@](C)(NC=O)C(C)(C)C 113918532 573042736 /nfs/dbraw/zinc/04/27/36/573042736.db2.gz MZIMJGCYZNSNTF-VIFPVBQESA-N 0 0 157.257 1.947 10 0 ADAERN COc1ncnc(NCC(C)C)c1C 85485196 573042738 /nfs/dbraw/zinc/04/27/38/573042738.db2.gz JTFZIPHSPSPDTF-UHFFFAOYSA-N 0 0 195.266 1.862 10 0 ADAERN O=C1C=NNC1c1cccc(F)c1 257928167 573042772 /nfs/dbraw/zinc/04/27/72/573042772.db2.gz SOPBIMUPZPFLBH-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN CCCOC[C@H](O)c1cn(C)nc1C 128459229 573042773 /nfs/dbraw/zinc/04/27/73/573042773.db2.gz NLZQVXPXQHEQQJ-JTQLQIEISA-N 0 0 198.266 1.189 10 0 ADAERN Cc1cccc(-c2nc(CO)c[nH]2)n1 82451956 573042852 /nfs/dbraw/zinc/04/28/52/573042852.db2.gz JVDKICVIZCFYHR-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN C[C@@H](O)c1ncc2ccc(F)cn12 257933329 573042827 /nfs/dbraw/zinc/04/28/27/573042827.db2.gz TWUGSZJUFSARFC-ZCFIWIBFSA-N 0 0 180.182 1.527 10 0 ADAERN Cc1cc(O[C@@H]2CCOC2)ccc1N 82452712 573042833 /nfs/dbraw/zinc/04/28/33/573042833.db2.gz IOBCUOVIEIJJOL-SNVBAGLBSA-N 0 0 193.246 1.745 10 0 ADAERN COc1ncnc(NC2CCC2)c1C 85485327 573042842 /nfs/dbraw/zinc/04/28/42/573042842.db2.gz OWKLKUUWUWHMLW-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN Cc1cc(N)cnc1O[C@H]1CCOC1 82452663 573044720 /nfs/dbraw/zinc/04/47/20/573044720.db2.gz FPTWVCFTRZOJTG-VIFPVBQESA-N 0 0 194.234 1.140 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1Cn1cc[nH]c1=O 717082801 573042958 /nfs/dbraw/zinc/04/29/58/573042958.db2.gz MQRNZTZDHWOGHB-KATARQTJSA-N 0 0 192.262 1.881 10 0 ADAERN CC[C@H](O)[C@H](C)c1nc(C)no1 82447556 573042963 /nfs/dbraw/zinc/04/29/63/573042963.db2.gz HJHHNNVZFYTPQZ-FSPLSTOPSA-N 0 0 170.212 1.252 10 0 ADAERN COc1ccsc1[C@@]1(O)C[C@H]1C 88032727 573042965 /nfs/dbraw/zinc/04/29/65/573042965.db2.gz IZMXXCOTEOVLAN-HZGVNTEJSA-N 0 0 184.260 1.984 10 0 ADAERN Cc1cccc(-c2nccc(=O)[nH]2)n1 82451243 573042970 /nfs/dbraw/zinc/04/29/70/573042970.db2.gz KDHXOMQGSQFJBI-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN COc1ccsc1-c1nc(N)no1 88032606 573042980 /nfs/dbraw/zinc/04/29/80/573042980.db2.gz IVDWZLVUPXYKHH-UHFFFAOYSA-N 0 0 197.219 1.389 10 0 ADAERN CC(C)/C=C(\N)C(=O)OCC(C)C 224598683 573042909 /nfs/dbraw/zinc/04/29/09/573042909.db2.gz BPWMQRMBLBLDBW-UITAMQMPSA-N 0 0 185.267 1.684 10 0 ADAERN CO[C@@H](CO)Cc1ccccc1C 257933469 573042917 /nfs/dbraw/zinc/04/29/17/573042917.db2.gz TZMOGULXPSODAU-LLVKDONJSA-N 0 0 180.247 1.545 10 0 ADAERN CO[C@H]1CNc2cccc(O)c2C1 257928064 573042989 /nfs/dbraw/zinc/04/29/89/573042989.db2.gz SLILSGHBNDABSH-SSDOTTSWSA-N 0 0 179.219 1.375 10 0 ADAERN CCCc1nc(C)c(CCO)c(C)n1 257928305 573043008 /nfs/dbraw/zinc/04/30/08/573043008.db2.gz JTRILOFAALWABH-UHFFFAOYSA-N 0 0 194.278 1.581 10 0 ADAERN Nc1coc(Oc2cccnc2)n1 257933567 573043084 /nfs/dbraw/zinc/04/30/84/573043084.db2.gz UDGXDSSZQWBLSL-UHFFFAOYSA-N 0 0 177.163 1.444 10 0 ADAERN COC1(CC(C)C)COC1 258472968 573043097 /nfs/dbraw/zinc/04/30/97/573043097.db2.gz ARRRARKVKXWYNM-UHFFFAOYSA-N 0 0 144.214 1.448 10 0 ADAERN CC(C)(O)[C@@H]1CNc2cccc(O)c21 257934377 573043101 /nfs/dbraw/zinc/04/31/01/573043101.db2.gz DALARRCRWMJUBG-SSDOTTSWSA-N 0 0 193.246 1.672 10 0 ADAERN CCC/C=C/CC(N)=O 104591188 573043124 /nfs/dbraw/zinc/04/31/24/573043124.db2.gz KQQWQOPRJBTLTD-SNAWJCMRSA-N 0 0 127.187 1.218 10 0 ADAERN Cn1cc(NCCCF)cn1 88025158 573044618 /nfs/dbraw/zinc/04/46/18/573044618.db2.gz ZCLCMHLOEHCWPH-UHFFFAOYSA-N 0 0 157.192 1.192 10 0 ADAERN Nc1cnoc1Cc1ccccc1O 259318846 573043160 /nfs/dbraw/zinc/04/31/60/573043160.db2.gz RRXOBTAYKFULBK-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN COc1csc([C@@]2(O)C[C@@H]2C)c1 88032736 573043168 /nfs/dbraw/zinc/04/31/68/573043168.db2.gz CUGSVFIFNCVGIU-IMTBSYHQSA-N 0 0 184.260 1.984 10 0 ADAERN CC(=O)[C@@H]1Cc2ccccc2CN1 113889652 573043177 /nfs/dbraw/zinc/04/31/77/573043177.db2.gz BNOGOCURMIFIFD-NSHDSACASA-N 0 0 175.231 1.290 10 0 ADAERN Nc1onc2c(O)cccc12 257933752 573043179 /nfs/dbraw/zinc/04/31/79/573043179.db2.gz BAAUQBFWKSXJDY-UHFFFAOYSA-N 0 0 150.137 1.116 10 0 ADAERN CCc1nc(N)c(C(C)C)c(=O)[nH]1 82450901 573043201 /nfs/dbraw/zinc/04/32/01/573043201.db2.gz IVGQSEHVELYSBF-UHFFFAOYSA-N 0 0 181.239 1.038 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1Cn1cc[nH]c1=O 717082805 573043233 /nfs/dbraw/zinc/04/32/33/573043233.db2.gz MQRNZTZDHWOGHB-XFWSIPNHSA-N 0 0 192.262 1.881 10 0 ADAERN CC[C@H](O)CCCCF 88026696 573043266 /nfs/dbraw/zinc/04/32/66/573043266.db2.gz KYXAXJAZEXBVNW-ZETCQYMHSA-N 0 0 134.194 1.897 10 0 ADAERN COC[C@H](O)CCCCF 88026740 573043271 /nfs/dbraw/zinc/04/32/71/573043271.db2.gz PWBDUOPELAMJJJ-SSDOTTSWSA-N 0 0 150.193 1.134 10 0 ADAERN CCc1nnc2cccc(OC)n12 257927915 573043298 /nfs/dbraw/zinc/04/32/98/573043298.db2.gz IRKRWLMIYOLPNS-UHFFFAOYSA-N 0 0 177.207 1.300 10 0 ADAERN C[C@@H](CCCF)[C@@H](C)O 88026704 573043312 /nfs/dbraw/zinc/04/33/12/573043312.db2.gz UVHHFHRFGNQUKG-NKWVEPMBSA-N 0 0 134.194 1.753 10 0 ADAERN C[C@H](O)[C@@H](C)CCCF 88026706 573043317 /nfs/dbraw/zinc/04/33/17/573043317.db2.gz UVHHFHRFGNQUKG-BQBZGAKWSA-N 0 0 134.194 1.753 10 0 ADAERN Nc1cnc(OCC2CCCC2)nc1 85486934 573043319 /nfs/dbraw/zinc/04/33/19/573043319.db2.gz ZCVLDTVMOKRKEV-UHFFFAOYSA-N 0 0 193.250 1.628 10 0 ADAERN C=C=CCC[C@H](O)C[C@H](O)C(C)C 308233882 573043350 /nfs/dbraw/zinc/04/33/50/573043350.db2.gz VASMKMMDXQUTKO-QWRGUYRKSA-N 0 0 184.279 1.876 10 0 ADAERN CCC[C@H](CO)[C@@H](C)COC 128462413 573043357 /nfs/dbraw/zinc/04/33/57/573043357.db2.gz MUUXKOZOAQKBSO-DTWKUNHWSA-N 0 0 160.257 1.678 10 0 ADAERN Nc1nn(CCCF)c2ccccc12 88026854 573043375 /nfs/dbraw/zinc/04/33/75/573043375.db2.gz CQOYFPVZSRJDHX-UHFFFAOYSA-N 0 0 193.225 1.978 10 0 ADAERN CC(=O)c1cc2c([nH]c1=O)COC2 257928004 573043382 /nfs/dbraw/zinc/04/33/82/573043382.db2.gz SJFBZKTVUDYPRK-UHFFFAOYSA-N 0 0 179.175 1.020 10 0 ADAERN CC1(c2cc(N)no2)CC1 104588737 573043386 /nfs/dbraw/zinc/04/33/86/573043386.db2.gz VWRMBSADUPWJBG-UHFFFAOYSA-N 0 0 138.170 1.308 10 0 ADAERN Cc1cccc(C(=O)c2cncnc2)n1 82451266 573043420 /nfs/dbraw/zinc/04/34/20/573043420.db2.gz IUSLNBCUIVDHBP-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CSCc1cnn(C(C)C)c1N 257934448 573043421 /nfs/dbraw/zinc/04/34/21/573043421.db2.gz POKPRXLYCCBSIS-UHFFFAOYSA-N 0 0 185.296 1.909 10 0 ADAERN CC(=O)c1noc([C@@H]2CCCOC2)n1 257934169 573043437 /nfs/dbraw/zinc/04/34/37/573043437.db2.gz HJNCXQFSIUJRFJ-SSDOTTSWSA-N 0 0 196.206 1.166 10 0 ADAERN O=C1CCN(CCCF)CC1 88025326 573044702 /nfs/dbraw/zinc/04/47/02/573044702.db2.gz WKLUUILYTUNALO-UHFFFAOYSA-N 0 0 159.204 1.011 10 0 ADAERN CC1=CCC[C@H]2CNC(=O)C[C@@H]12 238258099 573044705 /nfs/dbraw/zinc/04/47/05/573044705.db2.gz ULXJSLRPCWGZNC-IUCAKERBSA-N 0 0 165.236 1.479 10 0 ADAERN Cc1ccc(O[C@@H]2CCOC2)c(N)c1 82452699 573043460 /nfs/dbraw/zinc/04/34/60/573043460.db2.gz KIGRCOKSFZOJKY-SECBINFHSA-N 0 0 193.246 1.745 10 0 ADAERN COc1csc(-c2cc(N)no2)c1 88033278 573043462 /nfs/dbraw/zinc/04/34/62/573043462.db2.gz XKXFKDFPHRCQMA-UHFFFAOYSA-N 0 0 196.231 1.994 10 0 ADAERN CC(C)[C@](C[NH3+])(C(=O)[O-])[C@H](C)F 257928124 573043469 /nfs/dbraw/zinc/04/34/69/573043469.db2.gz SNOSGYCVIOKCAC-XPUUQOCRSA-N 0 0 177.219 1.030 10 0 ADAERN Nc1ccc2c(c1)CCN2CCCF 88025677 573043479 /nfs/dbraw/zinc/04/34/79/573043479.db2.gz MCLRGWLXEXJNGH-UHFFFAOYSA-N 0 0 194.253 1.991 10 0 ADAERN CCC1(c2oc(=O)[nH]c2N)CCC1 686126987 573043482 /nfs/dbraw/zinc/04/34/82/573043482.db2.gz ALDILCJMQZHEPL-ZCFIWIBFSA-N 0 0 182.223 1.652 10 0 ADAERN Cn1nc(C=O)c2c1CCC[C@H]2F 257928087 573043489 /nfs/dbraw/zinc/04/34/89/573043489.db2.gz SMPRBDORKRMTCR-ZCFIWIBFSA-N 0 0 182.198 1.580 10 0 ADAERN CCCCCOC(=O)c1cn[nH]c1 308234780 573043492 /nfs/dbraw/zinc/04/34/92/573043492.db2.gz QHLVDUYPCKTELM-UHFFFAOYSA-N 0 0 182.223 1.757 10 0 ADAERN COc1csc([C@@]2(O)C[C@H]2C)c1 88032734 573043496 /nfs/dbraw/zinc/04/34/96/573043496.db2.gz CUGSVFIFNCVGIU-HZGVNTEJSA-N 0 0 184.260 1.984 10 0 ADAERN CC(C)[C@](C[NH3+])(C(=O)[O-])[C@@H](C)F 257928121 573043512 /nfs/dbraw/zinc/04/35/12/573043512.db2.gz SNOSGYCVIOKCAC-SVRRBLITSA-N 0 0 177.219 1.030 10 0 ADAERN COc1ccc2c(c1)[C@H]([C@@H](C)O)CO2 257927690 573043540 /nfs/dbraw/zinc/04/35/40/573043540.db2.gz CKUNHIJRJXLDSW-XCBNKYQSSA-N 0 0 194.230 1.552 10 0 ADAERN COc1csc(C(C)=O)c1 88033377 573043543 /nfs/dbraw/zinc/04/35/43/573043543.db2.gz MGUUJAIXQQGGAF-UHFFFAOYSA-N 0 0 156.206 1.959 10 0 ADAERN C=C/C=C(\C)[C@H](O)CC[C@H](C)CO 308233820 573043547 /nfs/dbraw/zinc/04/35/47/573043547.db2.gz 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YJQDPFCVMZPTTM-ARJAWSKDSA-N 0 0 179.219 1.981 10 0 ADAERN CC1(C)C[C@@]1(C)[C@H]1CC(=O)N1 717072349 573044886 /nfs/dbraw/zinc/04/48/86/573044886.db2.gz ZYQQUDLLRSSJNL-MUWHJKNJSA-N 0 0 153.225 1.311 10 0 ADAERN CN1C[C@H](C(C)(C)C)N(C)C1=O 224551003 573044897 /nfs/dbraw/zinc/04/48/97/573044897.db2.gz XZSLOXZJQQQCQS-SSDOTTSWSA-N 0 0 170.256 1.398 10 0 ADAERN COC[C@H](C)[C@@H](CO)CC(C)C 128461520 573044901 /nfs/dbraw/zinc/04/49/01/573044901.db2.gz GHCQQHFOBLQHBK-VHSXEESVSA-N 0 0 174.284 1.924 10 0 ADAERN CC/C=C\C(=O)NC(C)(C)COC 308248087 573044906 /nfs/dbraw/zinc/04/49/06/573044906.db2.gz YUEVKPANLHAELS-SREVYHEPSA-N 0 0 185.267 1.494 10 0 ADAERN CCOc1ncnc(NC)c1C 85485203 573044917 /nfs/dbraw/zinc/04/49/17/573044917.db2.gz FLOOVVAZYFYKNB-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN CCC[C@H](C)[C@@H]1NC(=O)SC1=O 238258665 573044956 /nfs/dbraw/zinc/04/49/56/573044956.db2.gz XMZPJQYZYILWKV-WDSKDSINSA-N 0 0 187.264 1.774 10 0 ADAERN CCOc1nn2ccsc2c1N 238258523 573044965 /nfs/dbraw/zinc/04/49/65/573044965.db2.gz UKYHLLMVOHDVQW-UHFFFAOYSA-N 0 0 183.236 1.377 10 0 ADAERN COc1ccsc1-c1nnc(C)[nH]1 88028727 573044979 /nfs/dbraw/zinc/04/49/79/573044979.db2.gz KINPSVPGSBLPDQ-UHFFFAOYSA-N 0 0 195.247 1.850 10 0 ADAERN CC(=O)CCCO[C@H]1CCOC1 82454192 573044982 /nfs/dbraw/zinc/04/49/82/573044982.db2.gz ZZYCBZXPUYGBQO-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN Nc1ccccc1CO[C@H]1CCOC1 82452723 573045018 /nfs/dbraw/zinc/04/50/18/573045018.db2.gz HUWFGQRURBCBBE-JTQLQIEISA-N 0 0 193.246 1.574 10 0 ADAERN C=C=CCC[C@@H](O)C[C@H](O)C(C)C 308233881 573045054 /nfs/dbraw/zinc/04/50/54/573045054.db2.gz VASMKMMDXQUTKO-MNOVXSKESA-N 0 0 184.279 1.876 10 0 ADAERN Fc1cccc(O[C@@H]2CCOC2)n1 82453672 573045059 /nfs/dbraw/zinc/04/50/59/573045059.db2.gz FRVCSDVZSHJURL-SSDOTTSWSA-N 0 0 183.182 1.388 10 0 ADAERN Cc1c(CCO)ccc2c1OCO2 257935216 573045076 /nfs/dbraw/zinc/04/50/76/573045076.db2.gz CCXINIHVTFLHAF-UHFFFAOYSA-N 0 0 180.203 1.259 10 0 ADAERN Cc1cccc([C@@H]2CC(N)=NO2)c1 257936046 573045094 /nfs/dbraw/zinc/04/50/94/573045094.db2.gz UHXQRHJUYJYZHP-VIFPVBQESA-N 0 0 176.219 1.729 10 0 ADAERN OCCSCCCF 88026303 573045096 /nfs/dbraw/zinc/04/50/96/573045096.db2.gz SNQIICWCZQNTKE-UHFFFAOYSA-N 0 0 138.207 1.072 10 0 ADAERN CC[C@H](C)ONC(=O)c1cc[nH]c1 308248010 573045105 /nfs/dbraw/zinc/04/51/05/573045105.db2.gz YPXNGFUTVXWZDN-ZETCQYMHSA-N 0 0 182.223 1.475 10 0 ADAERN CCc1c(N)nc(C(C)C)[nH]c1=O 82450802 573045162 /nfs/dbraw/zinc/04/51/62/573045162.db2.gz UCCDVZSFLDOPPL-UHFFFAOYSA-N 0 0 181.239 1.038 10 0 ADAERN O=C([O-])[C@@]1(C2CCCC2)CCCC[NH2+]1 257935024 573045171 /nfs/dbraw/zinc/04/51/71/573045171.db2.gz BJRJDGPAUDVQEI-NSHDSACASA-N 0 0 197.278 1.774 10 0 ADAERN COc1csc(-c2nc(N)n[nH]2)c1 88028339 573045184 /nfs/dbraw/zinc/04/51/84/573045184.db2.gz BDKLIKMEDPSZLF-UHFFFAOYSA-N 0 0 196.235 1.124 10 0 ADAERN CCCC[P@@](C)(=O)CO 238257701 573045196 /nfs/dbraw/zinc/04/51/96/573045196.db2.gz QYUPVFVGSHPZNG-SECBINFHSA-N 0 0 150.158 1.729 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1Cn1cc[nH]c1=O 717082799 573045212 /nfs/dbraw/zinc/04/52/12/573045212.db2.gz MQRNZTZDHWOGHB-IMSYWVGJSA-N 0 0 192.262 1.881 10 0 ADAERN COc1sc(N)nc1C 104592068 573045217 /nfs/dbraw/zinc/04/52/17/573045217.db2.gz FLFOUMSKHALQSF-UHFFFAOYSA-N 0 0 144.199 1.042 10 0 ADAERN COc1ccsc1[C@@]1(O)C[C@@H]1C 88032729 573045271 /nfs/dbraw/zinc/04/52/71/573045271.db2.gz IZMXXCOTEOVLAN-IMTBSYHQSA-N 0 0 184.260 1.984 10 0 ADAERN CO[C@@H]1COc2c(N)cccc2C1 257936016 573045856 /nfs/dbraw/zinc/04/58/56/573045856.db2.gz UHHBYECUZRZYBF-QMMMGPOBSA-N 0 0 179.219 1.219 10 0 ADAERN CCC[C@H](C)[C@@]1(C)NC(=O)NC1=O 238258807 573045276 /nfs/dbraw/zinc/04/52/76/573045276.db2.gz YYAKRMWDAQGNTC-IMTBSYHQSA-N 0 0 184.239 1.021 10 0 ADAERN C/C=C/[C@@H](C)C[C@H](C)O 113894985 573045280 /nfs/dbraw/zinc/04/52/80/573045280.db2.gz GIDOUKNJXPWMLI-VWFQECGMSA-N 0 0 128.215 1.970 10 0 ADAERN Nc1cc(Cl)c2c(c1)NC(=O)C2 113962890 573045307 /nfs/dbraw/zinc/04/53/07/573045307.db2.gz OZBSAGCCTYGIDI-UHFFFAOYSA-N 0 0 182.610 1.417 10 0 ADAERN Nc1cncc(NCCC2CC2)n1 85485989 573045313 /nfs/dbraw/zinc/04/53/13/573045313.db2.gz OXUWAFRJSJJKEH-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN O[C@H]1CCC[C@@H]1CCCF 88026682 573045326 /nfs/dbraw/zinc/04/53/26/573045326.db2.gz BRMFSJOUPCGIAM-SFYZADRCSA-N 0 0 146.205 1.897 10 0 ADAERN COc1cccn2nc(C3CC3)nc12 113988385 573045334 /nfs/dbraw/zinc/04/53/34/573045334.db2.gz ULAXJDMDUMONQL-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN CNCC(F)(F)C[C@H]1CCOC1 257935896 573045344 /nfs/dbraw/zinc/04/53/44/573045344.db2.gz UFACRFQFSIJCFG-SSDOTTSWSA-N 0 0 179.210 1.268 10 0 ADAERN CC[C@@](C)(CO)[C@@H](C)COC 128460483 573045357 /nfs/dbraw/zinc/04/53/57/573045357.db2.gz ZSFYSVLBDQOMBE-IUCAKERBSA-N 0 0 160.257 1.678 10 0 ADAERN COc1ccsc1-c1cc(N)n[nH]1 88028627 573045358 /nfs/dbraw/zinc/04/53/58/573045358.db2.gz WPWKNHIOIHMAHC-UHFFFAOYSA-N 0 0 195.247 1.729 10 0 ADAERN C[C@H](O)COCC1CCCC1 85488900 573045378 /nfs/dbraw/zinc/04/53/78/573045378.db2.gz AAUJIBKUOCMIQP-QMMMGPOBSA-N 0 0 158.241 1.574 10 0 ADAERN CCC[C@H](C)CC(=O)OC1COC1 308248252 573045381 /nfs/dbraw/zinc/04/53/81/573045381.db2.gz ZBQSAMUNXXWNKF-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@H](O)[C@H](C)CCOC 82447923 573045383 /nfs/dbraw/zinc/04/53/83/573045383.db2.gz FDMGCCWZJJNGLI-SFYZADRCSA-N 0 0 146.230 1.430 10 0 ADAERN CCSCc1c[nH]nc1N 257932781 573045408 /nfs/dbraw/zinc/04/54/08/573045408.db2.gz PHOKASGNWMZRFW-UHFFFAOYSA-N 0 0 157.242 1.245 10 0 ADAERN Cc1c(N)nc(C2CCCC2)[nH]c1=O 82450704 573045422 /nfs/dbraw/zinc/04/54/22/573045422.db2.gz ZQCBNTIFWWNLEA-UHFFFAOYSA-N 0 0 193.250 1.318 10 0 ADAERN C[C@H]1C[C@@H](O)c2cc(O)ccc2N1 257934668 573045433 /nfs/dbraw/zinc/04/54/33/573045433.db2.gz UDKKZOHEXBIDKV-QUBYGPBYSA-N 0 0 179.219 1.630 10 0 ADAERN COc1cc(N[C@@H]2C[C@H]2C)nc(C)n1 85485528 573045452 /nfs/dbraw/zinc/04/54/52/573045452.db2.gz IHGLKXSSZKAZFC-HTRCEHHLSA-N 0 0 193.250 1.614 10 0 ADAERN CCCc1c(N)nc(C(C)C)[nH]c1=O 82450863 573045453 /nfs/dbraw/zinc/04/54/53/573045453.db2.gz GCZCXTNQCMOYHM-UHFFFAOYSA-N 0 0 195.266 1.428 10 0 ADAERN Cc1ccn(CCCF)n1 88027154 573045464 /nfs/dbraw/zinc/04/54/64/573045464.db2.gz RDYGFILHGRIUAM-UHFFFAOYSA-N 0 0 142.177 1.551 10 0 ADAERN Nc1cccc(CO[C@@H]2CCOC2)c1 82452725 573045476 /nfs/dbraw/zinc/04/54/76/573045476.db2.gz KOWHRSSRLTWKLG-LLVKDONJSA-N 0 0 193.246 1.574 10 0 ADAERN COc1ccsc1C1N=NC(=O)O1 88032990 573045482 /nfs/dbraw/zinc/04/54/82/573045482.db2.gz SUNBQSIHYXBEQR-UHFFFAOYSA-N 0 0 198.203 1.512 10 0 ADAERN CCC(C)(C)CC(=O)CO 113976248 573045494 /nfs/dbraw/zinc/04/54/94/573045494.db2.gz FWJFBMQIBLWMBJ-UHFFFAOYSA-N 0 0 144.214 1.374 10 0 ADAERN CC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]21 113901863 573045511 /nfs/dbraw/zinc/04/55/11/573045511.db2.gz WRQJDVMOQLMPJW-IVZWLZJFSA-N 0 0 167.252 1.701 10 0 ADAERN COC[C@H](C)[C@H](CO)CC(C)C 128461309 573045521 /nfs/dbraw/zinc/04/55/21/573045521.db2.gz GHCQQHFOBLQHBK-UWVGGRQHSA-N 0 0 174.284 1.924 10 0 ADAERN Cc1cccc(-c2noc(N)n2)n1 82451899 573045524 /nfs/dbraw/zinc/04/55/24/573045524.db2.gz LKVAMXSTLRKEJC-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCCN(C)C(=O)N(C)CC1CC1 308233784 573046975 /nfs/dbraw/zinc/04/69/75/573046975.db2.gz QAYQXMXOMYSBKQ-UHFFFAOYSA-N 0 0 184.283 1.790 10 0 ADAERN COc1csc(-c2nc(N)no2)c1 88032608 573045547 /nfs/dbraw/zinc/04/55/47/573045547.db2.gz DQXRJNXUMFWQAE-UHFFFAOYSA-N 0 0 197.219 1.389 10 0 ADAERN Cc1cc(F)cc(CCO)c1O 257935152 573045556 /nfs/dbraw/zinc/04/55/56/573045556.db2.gz CBTUTGKOEVBFHM-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN CC[C@@H](C)C1=NC(=S)N[C@@H](C)C1 238261910 573045557 /nfs/dbraw/zinc/04/55/57/573045557.db2.gz RFWHNZQXYMDKMW-RQJHMYQMSA-N 0 0 184.308 1.783 10 0 ADAERN CCc1nc2ncnn2c(Cl)c1C 82449659 573045563 /nfs/dbraw/zinc/04/55/63/573045563.db2.gz XISCZQSBLASMDS-UHFFFAOYSA-N 0 0 196.641 1.649 10 0 ADAERN CC(C)(O)C(=O)c1ccc(CO)cc1 113922917 573045574 /nfs/dbraw/zinc/04/55/74/573045574.db2.gz MOBFCLRECRZMDA-UHFFFAOYSA-N 0 0 194.230 1.133 10 0 ADAERN COc1ccsc1C1(O)CC1 88032724 573045609 /nfs/dbraw/zinc/04/56/09/573045609.db2.gz XLKIYCNBZKAVNR-UHFFFAOYSA-N 0 0 170.233 1.738 10 0 ADAERN CC[C@@H](O)[C@H](C)CCOC 82447925 573045611 /nfs/dbraw/zinc/04/56/11/573045611.db2.gz FDMGCCWZJJNGLI-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN COC(=O)C(C)(C)c1ccccn1 113980784 573045619 /nfs/dbraw/zinc/04/56/19/573045619.db2.gz MDBZEGAGINSHQW-UHFFFAOYSA-N 0 0 179.219 1.532 10 0 ADAERN CCC[C@@H](CO)[C@@H](C)COC 128462187 573045623 /nfs/dbraw/zinc/04/56/23/573045623.db2.gz MUUXKOZOAQKBSO-IUCAKERBSA-N 0 0 160.257 1.678 10 0 ADAERN FCCCNCC(F)(F)F 88024451 573045635 /nfs/dbraw/zinc/04/56/35/573045635.db2.gz YSUNOHKDSZDBPO-UHFFFAOYSA-N 0 0 159.126 1.498 10 0 ADAERN CCC(CC)N(CC)C(=O)NOC 308248315 573045644 /nfs/dbraw/zinc/04/56/44/573045644.db2.gz ZEVXQNMZWBZJPZ-UHFFFAOYSA-N 0 0 188.271 1.768 10 0 ADAERN NC(=S)CCCF 88025201 573045665 /nfs/dbraw/zinc/04/56/65/573045665.db2.gz XTJFNEKISCMOHL-UHFFFAOYSA-N 0 0 121.180 1.022 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)NCC(F)F 308247891 573045677 /nfs/dbraw/zinc/04/56/77/573045677.db2.gz YIPOAGVGMNOTMM-WDSKDSINSA-N 0 0 192.209 1.349 10 0 ADAERN CC1=NC(C)(C)C(C)(C)NC1=O 238257895 573045685 /nfs/dbraw/zinc/04/56/85/573045685.db2.gz DHXIXBLTXAYKOD-UHFFFAOYSA-N 0 0 168.240 1.134 10 0 ADAERN CCN(C)C(=O)N1CC(C(F)F)C1 308248083 573045719 /nfs/dbraw/zinc/04/57/19/573045719.db2.gz YUBODNQWMCYKOP-UHFFFAOYSA-N 0 0 192.209 1.255 10 0 ADAERN COc1ncnc(N[C@H]2C[C@H]2C)c1C 85485332 573045752 /nfs/dbraw/zinc/04/57/52/573045752.db2.gz PAKXVZPSZIEITF-SVRRBLITSA-N 0 0 193.250 1.614 10 0 ADAERN C[NH2+]Cc1nc(CN2CCC2)cs1 308234453 573045771 /nfs/dbraw/zinc/04/57/71/573045771.db2.gz VEQHPDIWGVZLAC-UHFFFAOYSA-N 0 0 197.307 1.068 10 0 ADAERN COc1csc(-c2n[nH]c(C)n2)c1 88028726 573045774 /nfs/dbraw/zinc/04/57/74/573045774.db2.gz WVQDLZRRAMYCBV-UHFFFAOYSA-N 0 0 195.247 1.850 10 0 ADAERN OCC[C@@H]1C=CCC1 113901875 573045781 /nfs/dbraw/zinc/04/57/81/573045781.db2.gz DNITZIKVBPIDEY-SSDOTTSWSA-N 0 0 112.172 1.335 10 0 ADAERN COc1ccsc1-c1cc(N)no1 88033275 573045796 /nfs/dbraw/zinc/04/57/96/573045796.db2.gz VSQQDRQXGDHKSO-UHFFFAOYSA-N 0 0 196.231 1.994 10 0 ADAERN NC(=S)CCOCC1CCCC1 85488003 573045860 /nfs/dbraw/zinc/04/58/60/573045860.db2.gz KFUABJDXJGVVBV-UHFFFAOYSA-N 0 0 187.308 1.869 10 0 ADAERN CCCc1nc(N)c(C(C)C)c(=O)[nH]1 82450915 573045874 /nfs/dbraw/zinc/04/58/74/573045874.db2.gz VSSBSOUWOVAMGQ-UHFFFAOYSA-N 0 0 195.266 1.428 10 0 ADAERN CCCOc1cc(NC(C)=O)ncn1 238257608 573045893 /nfs/dbraw/zinc/04/58/93/573045893.db2.gz CYOTYCOOAJGIPV-UHFFFAOYSA-N 0 0 195.222 1.224 10 0 ADAERN Nc1c(F)cccc1O[C@@H]1CCOC1 82452643 573045907 /nfs/dbraw/zinc/04/59/07/573045907.db2.gz VLBIQEVBTHOSLL-SSDOTTSWSA-N 0 0 197.209 1.576 10 0 ADAERN COc1cc(N[C@H]2C[C@H]2C)nc(C)n1 85485529 573045951 /nfs/dbraw/zinc/04/59/51/573045951.db2.gz IHGLKXSSZKAZFC-SVRRBLITSA-N 0 0 193.250 1.614 10 0 ADAERN C[C@H](CO)c1cccc2oncc12 257935353 573045952 /nfs/dbraw/zinc/04/59/52/573045952.db2.gz CHMMRBIVTVYRAS-SSDOTTSWSA-N 0 0 177.203 1.924 10 0 ADAERN CCOc1cc(=O)cc(C)o1 238259435 573045957 /nfs/dbraw/zinc/04/59/57/573045957.db2.gz GXRQPVLLQIRQKS-UHFFFAOYSA-N 0 0 154.165 1.347 10 0 ADAERN C/C=C/[C@H](C)C[C@H](C)O 113894987 573045985 /nfs/dbraw/zinc/04/59/85/573045985.db2.gz GIDOUKNJXPWMLI-VEVSIANRSA-N 0 0 128.215 1.970 10 0 ADAERN C[C@@H](O)CCCCF 88026687 573045997 /nfs/dbraw/zinc/04/59/97/573045997.db2.gz DDDYBUYCNSDUFA-ZCFIWIBFSA-N 0 0 120.167 1.507 10 0 ADAERN CCOC(=N)c1cccc(C)n1 82451819 573046002 /nfs/dbraw/zinc/04/60/02/573046002.db2.gz QVTXYMMOVDOOAG-UHFFFAOYSA-N 0 0 164.208 1.752 10 0 ADAERN CC(C)(C)n1nc2c(c1N)COC2 257934560 573046007 /nfs/dbraw/zinc/04/60/07/573046007.db2.gz UBRWTVPDYKBFCO-UHFFFAOYSA-N 0 0 181.239 1.251 10 0 ADAERN CCOC(=O)c1cc(N)ncc1C 238258947 573046019 /nfs/dbraw/zinc/04/60/19/573046019.db2.gz GZXOJOKAGPKHMU-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN CC1=CCC[C@]2(CCCNC2=O)O1 238258173 573046055 /nfs/dbraw/zinc/04/60/55/573046055.db2.gz UMBJENJAHPKQND-SNVBAGLBSA-N 0 0 181.235 1.349 10 0 ADAERN CCCn1c(=O)cc(C=O)[nH]c1=S 238258261 573046086 /nfs/dbraw/zinc/04/60/86/573046086.db2.gz DGXSFQIKNHJNIS-UHFFFAOYSA-N 0 0 198.247 1.541 10 0 ADAERN CCOC(=O)C1(c2c[nH]cn2)CC1 259600027 573046098 /nfs/dbraw/zinc/04/60/98/573046098.db2.gz CTRRROWGNODRMQ-UHFFFAOYSA-N 0 0 180.207 1.004 10 0 ADAERN Nc1cccc2c1CCN2CCCF 88025710 573046110 /nfs/dbraw/zinc/04/61/10/573046110.db2.gz ICKCBANCGAQYTB-UHFFFAOYSA-N 0 0 194.253 1.991 10 0 ADAERN COc1csc(C2N=NC(=O)O2)c1 88032992 573046122 /nfs/dbraw/zinc/04/61/22/573046122.db2.gz KPGGZZQVWJCJML-UHFFFAOYSA-N 0 0 198.203 1.512 10 0 ADAERN CCC[C@H](O)c1cc(O)ccc1N 257934674 573046144 /nfs/dbraw/zinc/04/61/44/573046144.db2.gz UDXCMTQMUDBHTF-JTQLQIEISA-N 0 0 181.235 1.808 10 0 ADAERN O=C([O-])[C@]1(C2CCCC2)CCCC[NH2+]1 257935018 573046152 /nfs/dbraw/zinc/04/61/52/573046152.db2.gz BJRJDGPAUDVQEI-LLVKDONJSA-N 0 0 197.278 1.774 10 0 ADAERN CCOC(=O)/C(=C\C(C)C)NC(C)=O 224600440 573046178 /nfs/dbraw/zinc/04/61/78/573046178.db2.gz KTFKEVFENNAPED-RMKNXTFCSA-N 0 0 199.250 1.226 10 0 ADAERN C/C=C/[C@@H](C)C[C@@H](C)O 113894982 573046188 /nfs/dbraw/zinc/04/61/88/573046188.db2.gz GIDOUKNJXPWMLI-IVZJMYDKSA-N 0 0 128.215 1.970 10 0 ADAERN NOCCc1ccc2cnoc2c1 257932780 573046199 /nfs/dbraw/zinc/04/61/99/573046199.db2.gz BVNMYSKUNSPSGF-UHFFFAOYSA-N 0 0 178.191 1.261 10 0 ADAERN C/C=C/[C@H](C)C[C@@H](C)O 113894984 573046216 /nfs/dbraw/zinc/04/62/16/573046216.db2.gz GIDOUKNJXPWMLI-ODAVYXMRSA-N 0 0 128.215 1.970 10 0 ADAERN CCCNc1cc(OC)ncn1 85484912 573046229 /nfs/dbraw/zinc/04/62/29/573046229.db2.gz LRELJULSTUEBBF-UHFFFAOYSA-N 0 0 167.212 1.307 10 0 ADAERN COc1ncnc(N[C@@H]2C[C@@H]2C)c1C 85485329 573046237 /nfs/dbraw/zinc/04/62/37/573046237.db2.gz PAKXVZPSZIEITF-POYBYMJQSA-N 0 0 193.250 1.614 10 0 ADAERN CNc1cscc1N 104592083 573046266 /nfs/dbraw/zinc/04/62/66/573046266.db2.gz PYWDSZMEVCOBGD-UHFFFAOYSA-N 0 0 128.200 1.372 10 0 ADAERN Cc1cccc(-c2ncc[nH]2)n1 82451823 573046329 /nfs/dbraw/zinc/04/63/29/573046329.db2.gz MZXLORGBAWJZTG-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CCCOC(=O)/C=C/c1cc[nH]c1 308247905 573046336 /nfs/dbraw/zinc/04/63/36/573046336.db2.gz YJQDPFCVMZPTTM-ONEGZZNKSA-N 0 0 179.219 1.981 10 0 ADAERN C=C=CCC[C@@H](O)C[C@@H](O)C(C)C 308233880 573046344 /nfs/dbraw/zinc/04/63/44/573046344.db2.gz VASMKMMDXQUTKO-GHMZBOCLSA-N 0 0 184.279 1.876 10 0 ADAERN CC1=CC[C@@H]2CCC(=O)[C@@H]12 238259292 573046357 /nfs/dbraw/zinc/04/63/57/573046357.db2.gz BHWFPVPBGWTRIZ-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN O[C@@H]1CCC[C@H]1CCCF 88026681 573046363 /nfs/dbraw/zinc/04/63/63/573046363.db2.gz BRMFSJOUPCGIAM-JGVFFNPUSA-N 0 0 146.205 1.897 10 0 ADAERN C[C@@H](O)COCC1CCCC1 85488902 573046379 /nfs/dbraw/zinc/04/63/79/573046379.db2.gz AAUJIBKUOCMIQP-MRVPVSSYSA-N 0 0 158.241 1.574 10 0 ADAERN Nc1c(F)cccc1O[C@H]1CCOC1 82452644 573046395 /nfs/dbraw/zinc/04/63/95/573046395.db2.gz VLBIQEVBTHOSLL-ZETCQYMHSA-N 0 0 197.209 1.576 10 0 ADAERN Oc1ccccc1CC1(F)CNC1 257934544 573047023 /nfs/dbraw/zinc/04/70/23/573047023.db2.gz UBFUAGWCQWMMCA-UHFFFAOYSA-N 0 0 181.210 1.246 10 0 ADAERN CC[C@@H]1CCCN1C(=O)NCCF 308247572 573046445 /nfs/dbraw/zinc/04/64/45/573046445.db2.gz XULBUTFTFCARGS-MRVPVSSYSA-N 0 0 188.246 1.540 10 0 ADAERN CC[C@H](C)OCn1cc(N)cn1 393335422 573046519 /nfs/dbraw/zinc/04/65/19/573046519.db2.gz CJRGQJLIGANXIB-ZETCQYMHSA-N 0 0 169.228 1.238 10 0 ADAERN Nc1cc([C@@H]2CCOC2)ccc1O 257934529 573046520 /nfs/dbraw/zinc/04/65/20/573046520.db2.gz UBDMNIWHFQWUCG-MRVPVSSYSA-N 0 0 179.219 1.478 10 0 ADAERN CC(C)c1nc(N)c(C(C)C)c(=O)[nH]1 82450906 573046556 /nfs/dbraw/zinc/04/65/56/573046556.db2.gz BKPVAPKWNHRHIF-UHFFFAOYSA-N 0 0 195.266 1.599 10 0 ADAERN CCC[C@@H](O)[C@@](C)(O)C(C)C 238258635 573046563 /nfs/dbraw/zinc/04/65/63/573046563.db2.gz ZFMICDAIZQDLOV-BDAKNGLRSA-N 0 0 160.257 1.554 10 0 ADAERN CO[C@@H]1CCC(=O)C1(C)C 141874862 573046609 /nfs/dbraw/zinc/04/66/09/573046609.db2.gz GTUHSENBKGQKBW-SSDOTTSWSA-N 0 0 142.198 1.391 10 0 ADAERN CC[NH2+][C@@H]1CC=C(C(=O)[O-])CC1 238259326 573046613 /nfs/dbraw/zinc/04/66/13/573046613.db2.gz PQYZLVUPHQUYGT-MRVPVSSYSA-N 0 0 169.224 1.159 10 0 ADAERN CCCN1C=CS[C@@H]1N 104588460 573046675 /nfs/dbraw/zinc/04/66/75/573046675.db2.gz PJPASMRVPBDRSV-ZCFIWIBFSA-N 0 0 144.243 1.159 10 0 ADAERN Cc1ccnn1CCCF 88027155 573046710 /nfs/dbraw/zinc/04/67/10/573046710.db2.gz HIULKSXAYKSCJO-UHFFFAOYSA-N 0 0 142.177 1.551 10 0 ADAERN Cc1ccc(O[C@H]2CCOC2)c(N)c1 82452701 573046729 /nfs/dbraw/zinc/04/67/29/573046729.db2.gz KIGRCOKSFZOJKY-VIFPVBQESA-N 0 0 193.246 1.745 10 0 ADAERN Cc1cc(C=O)c(C)cc1N 104589827 573046731 /nfs/dbraw/zinc/04/67/31/573046731.db2.gz UZCDQOXDZFEIPU-UHFFFAOYSA-N 0 0 149.193 1.698 10 0 ADAERN CO[C@H]1COc2c(N)cccc2C1 257936013 573046734 /nfs/dbraw/zinc/04/67/34/573046734.db2.gz UHHBYECUZRZYBF-MRVPVSSYSA-N 0 0 179.219 1.219 10 0 ADAERN CCC[C@@H](C)CC(=O)OC1COC1 308248251 573046749 /nfs/dbraw/zinc/04/67/49/573046749.db2.gz ZBQSAMUNXXWNKF-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)N1CCCC[C@H]1ON 257935642 573047073 /nfs/dbraw/zinc/04/70/73/573047073.db2.gz LCCYBIARBADKTO-MRVPVSSYSA-N 0 0 158.245 1.097 10 0 ADAERN NC(=S)COCC1CCCC1 85488001 573046756 /nfs/dbraw/zinc/04/67/56/573046756.db2.gz UGYWZZSYAXIXMF-UHFFFAOYSA-N 0 0 173.281 1.479 10 0 ADAERN CC1(C)C[C@]1(C)[C@H]1CC(=O)N1 717072329 573046770 /nfs/dbraw/zinc/04/67/70/573046770.db2.gz ZYQQUDLLRSSJNL-HZGVNTEJSA-N 0 0 153.225 1.311 10 0 ADAERN COc1ncnc(NCC2CC2)c1C 85485210 573046795 /nfs/dbraw/zinc/04/67/95/573046795.db2.gz KYQKYQXJKQKCKE-UHFFFAOYSA-N 0 0 193.250 1.616 10 0 ADAERN CC1(C)NC=NN1c1ccccc1 238257615 573046803 /nfs/dbraw/zinc/04/68/03/573046803.db2.gz WESZKNIGYPYCDD-UHFFFAOYSA-N 0 0 175.235 1.776 10 0 ADAERN CCCC[P@](C)(=O)CO 238257877 573046826 /nfs/dbraw/zinc/04/68/26/573046826.db2.gz QYUPVFVGSHPZNG-VIFPVBQESA-N 0 0 150.158 1.729 10 0 ADAERN CC[C@H](F)COC(=O)[C@H](CC)CO 308247876 573046867 /nfs/dbraw/zinc/04/68/67/573046867.db2.gz YIGUWYCUESHWIR-SFYZADRCSA-N 0 0 192.230 1.296 10 0 ADAERN C[C@@H](O)C(=O)CCC1CCOCC1 308247897 573046878 /nfs/dbraw/zinc/04/68/78/573046878.db2.gz YJGHHQZFQVOYFV-MRVPVSSYSA-N 0 0 186.251 1.143 10 0 ADAERN CCC[C@@H](C)[C@@]1(C)NC(=O)NC1=O 238258889 573046880 /nfs/dbraw/zinc/04/68/80/573046880.db2.gz YYAKRMWDAQGNTC-HZGVNTEJSA-N 0 0 184.239 1.021 10 0 ADAERN COc1ccsc1[C@]1(O)C[C@H]1C 88032731 573046885 /nfs/dbraw/zinc/04/68/85/573046885.db2.gz IZMXXCOTEOVLAN-MUWHJKNJSA-N 0 0 184.260 1.984 10 0 ADAERN COc1csc(C2(O)CC2)c1 88032726 573046908 /nfs/dbraw/zinc/04/69/08/573046908.db2.gz FGZPBPODMHZLED-UHFFFAOYSA-N 0 0 170.233 1.738 10 0 ADAERN C[C@H]1CNc2ccc(CO)cc2O1 259318826 573046939 /nfs/dbraw/zinc/04/69/39/573046939.db2.gz RRVYJWRPMHXKOP-ZETCQYMHSA-N 0 0 179.219 1.372 10 0 ADAERN Fc1cccc(O[C@H]2CCOC2)n1 82453674 573046944 /nfs/dbraw/zinc/04/69/44/573046944.db2.gz FRVCSDVZSHJURL-ZETCQYMHSA-N 0 0 183.182 1.388 10 0 ADAERN CC[C@@](C)(O)Cn1cccc1 123512948 573047085 /nfs/dbraw/zinc/04/70/85/573047085.db2.gz KTHKYYHJGRXRQU-SECBINFHSA-N 0 0 153.225 1.649 10 0 ADAERN C[C@@H]1C[C@H](O)c2cc(O)ccc2N1 257934662 573047090 /nfs/dbraw/zinc/04/70/90/573047090.db2.gz UDKKZOHEXBIDKV-LDWIPMOCSA-N 0 0 179.219 1.630 10 0 ADAERN CC1(C)CCC(=O)CN1C(=O)C1CC1 259318238 573047093 /nfs/dbraw/zinc/04/70/93/573047093.db2.gz XCQVXKYDXHBEHO-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN CCC/C=C/N 104590630 573047117 /nfs/dbraw/zinc/04/71/17/573047117.db2.gz FSEKYSAWZRQAPN-SNAWJCMRSA-N 0 0 85.150 1.259 10 0 ADAERN CCC[C@H]1C[C@H]1C(=O)N(CC)OC 308248348 573047119 /nfs/dbraw/zinc/04/71/19/573047119.db2.gz ZGDGBSKWCIKNDG-DTWKUNHWSA-N 0 0 185.267 1.833 10 0 ADAERN O=C1CCc2cc(O)c(F)cc2N1 257934690 573047167 /nfs/dbraw/zinc/04/71/67/573047167.db2.gz PTSLWVUGUYFVGW-UHFFFAOYSA-N 0 0 181.166 1.416 10 0 ADAERN CCc1c(N)nc(CC(C)C)[nH]c1=O 82450800 573047237 /nfs/dbraw/zinc/04/72/37/573047237.db2.gz NQKORQPFAMDZCE-UHFFFAOYSA-N 0 0 195.266 1.113 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)NCC(F)F 308247888 573047241 /nfs/dbraw/zinc/04/72/41/573047241.db2.gz YIPOAGVGMNOTMM-NTSWFWBYSA-N 0 0 192.209 1.349 10 0 ADAERN Cc1oc(-c2ccco2)nc1CO 113979645 573047242 /nfs/dbraw/zinc/04/72/42/573047242.db2.gz SWCOLAPAAHSSFU-UHFFFAOYSA-N 0 0 179.175 1.735 10 0 ADAERN c1ccc(-c2nc3c(o2)CNC3)nc1 113981931 573047282 /nfs/dbraw/zinc/04/72/82/573047282.db2.gz RDLLHXDDJWZRDS-UHFFFAOYSA-N 0 0 187.202 1.340 10 0 ADAERN OCCO[C@H]1C=CCCC1 113972796 573047301 /nfs/dbraw/zinc/04/73/01/573047301.db2.gz OPNMINGQAUVEGT-QMMMGPOBSA-N 0 0 142.198 1.104 10 0 ADAERN COc1cc(NC2CCC2)nc(C)n1 85485524 573047342 /nfs/dbraw/zinc/04/73/42/573047342.db2.gz VGTSJMUCKIKVKN-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN CC[C@@H]([NH3+])c1nc2ccc(C)nc2[nH]1 88037355 573047394 /nfs/dbraw/zinc/04/73/94/573047394.db2.gz UNKVAGQKNDJJPJ-SSDOTTSWSA-N 0 0 190.250 1.676 10 0 ADAERN CCC[C@@H](C)[C@@H](O)OC 238258587 573047396 /nfs/dbraw/zinc/04/73/96/573047396.db2.gz IROXSCLXGHSDEP-RQJHMYQMSA-N 0 0 132.203 1.387 10 0 ADAERN Cc1nn(C)cc1[C@@H](O)COC(C)C 128460300 573047399 /nfs/dbraw/zinc/04/73/99/573047399.db2.gz MXRSJNZLUDDBGY-JTQLQIEISA-N 0 0 198.266 1.187 10 0 ADAERN CC(C)OCc1nc(N)cn1C(C)C 257935126 573047423 /nfs/dbraw/zinc/04/74/23/573047423.db2.gz UMKHFDBBIXZVMQ-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN Cc1cccc(-c2ncc(C=O)cn2)n1 82451919 573047424 /nfs/dbraw/zinc/04/74/24/573047424.db2.gz MDCBAQVRCZXACR-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN Nc1cccc2c1CC[C@H]2O 104590515 573047472 /nfs/dbraw/zinc/04/74/72/573047472.db2.gz KRPKMDISEBPBQF-SECBINFHSA-N 0 0 149.193 1.248 10 0 ADAERN c1snnc1[C@@H]1CCCCC[NH2+]1 88040188 573047482 /nfs/dbraw/zinc/04/74/82/573047482.db2.gz ZXWCKQCXAYLRMZ-ZETCQYMHSA-N 0 0 183.280 1.743 10 0 ADAERN CNc1nc(-c2cccc(C)n2)no1 82451903 573047493 /nfs/dbraw/zinc/04/74/93/573047493.db2.gz UKWRCNCPKICRKB-UHFFFAOYSA-N 0 0 190.206 1.482 10 0 ADAERN Cn1cc([C@@H]2CCCCC[NH2+]2)nn1 88040146 573047597 /nfs/dbraw/zinc/04/75/97/573047597.db2.gz SXISLRYWACVVEE-QMMMGPOBSA-N 0 0 180.255 1.020 10 0 ADAERN Cc1ccc2c([nH+]1)NC[C@H](C)CN2 88037024 573047499 /nfs/dbraw/zinc/04/74/99/573047499.db2.gz SGLYFUJTKZSBCB-SSDOTTSWSA-N 0 0 177.251 1.864 10 0 ADAERN CC(C)Cn1nc2c(c1N)COC2 257935930 573047512 /nfs/dbraw/zinc/04/75/12/573047512.db2.gz UGIRHJXJLVERNU-UHFFFAOYSA-N 0 0 181.239 1.152 10 0 ADAERN C[C@H](C(=O)OC(C)(C)C)n1cccn1 85493921 573047533 /nfs/dbraw/zinc/04/75/33/573047533.db2.gz XKMOKYRINKBDBE-MRVPVSSYSA-N 0 0 196.250 1.786 10 0 ADAERN Cc1cc(C[NH2+]CC(=O)[O-])c(C)s1 49685517 573047551 /nfs/dbraw/zinc/04/75/51/573047551.db2.gz VRGAODCZIQQEBE-UHFFFAOYSA-N 0 0 199.275 1.539 10 0 ADAERN CCC[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1C 308248332 573047571 /nfs/dbraw/zinc/04/75/71/573047571.db2.gz ZFSPEDYHIXYKTJ-JXUBOQSCSA-N 0 0 181.279 1.947 10 0 ADAERN Nc1ccc(C2CC2)c(O)c1 104589843 573047579 /nfs/dbraw/zinc/04/75/79/573047579.db2.gz LDYAJWCQHSPKAU-UHFFFAOYSA-N 0 0 149.193 1.852 10 0 ADAERN CC[C@H](C)OC(=O)[C@@H]1CC[C@@H](C)O1 308247737 573047618 /nfs/dbraw/zinc/04/76/18/573047618.db2.gz YCEKBNIOBXSWHN-YIZRAAEISA-N 0 0 186.251 1.896 10 0 ADAERN C=C/C=C(\C)[C@H](O)CC[C@@H](C)CO 308233823 573047620 /nfs/dbraw/zinc/04/76/20/573047620.db2.gz UWUUIEVPEXJOJA-KXNDTWRZSA-N 0 0 184.279 1.888 10 0 ADAERN Nc1c[nH]c(Oc2ccc(O)cc2)n1 257934941 573047630 /nfs/dbraw/zinc/04/76/30/573047630.db2.gz UJZCUOCRMYZQCR-UHFFFAOYSA-N 0 0 191.190 1.490 10 0 ADAERN CCC[C@@H](C)[C@@](C)([NH3+])C(=O)[O-] 238258829 573047634 /nfs/dbraw/zinc/04/76/34/573047634.db2.gz SQAIKNQOZJTNDI-HTRCEHHLSA-N 0 0 159.229 1.225 10 0 ADAERN COC[C@@H](C)C1(CO)CCCC1 128455356 573047639 /nfs/dbraw/zinc/04/76/39/573047639.db2.gz ZTYZBGGEJGBYCH-SECBINFHSA-N 0 0 172.268 1.822 10 0 ADAERN CCc1cc(F)cnc1N 104590913 573047654 /nfs/dbraw/zinc/04/76/54/573047654.db2.gz WTECUPWAIWGJED-UHFFFAOYSA-N 0 0 140.161 1.365 10 0 ADAERN CCNc1ncnc(OC)c1C 85485206 573047666 /nfs/dbraw/zinc/04/76/66/573047666.db2.gz OWYOZJJKDKYJAO-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN O=C1C=C(NC2CCCCC2)CO1 113936428 573047683 /nfs/dbraw/zinc/04/76/83/573047683.db2.gz DNWMTVTZYPAZOW-UHFFFAOYSA-N 0 0 181.235 1.349 10 0 ADAERN C[C@@H](O)c1cccc2ncoc12 257935356 573047698 /nfs/dbraw/zinc/04/76/98/573047698.db2.gz CHMYQXCPNBQZLD-ZCFIWIBFSA-N 0 0 163.176 1.881 10 0 ADAERN Clc1cccc([C@H]2CNOC2)c1 257934688 573047713 /nfs/dbraw/zinc/04/77/13/573047713.db2.gz UDZFCNVTHVEQDS-QMMMGPOBSA-N 0 0 183.638 1.958 10 0 ADAERN CCOc1c(O)c(C)c(C)[nH]c1=O 238257684 573047730 /nfs/dbraw/zinc/04/77/30/573047730.db2.gz DLOSNKKCWUNYGT-UHFFFAOYSA-N 0 0 183.207 1.096 10 0 ADAERN CC1=NC(C)(C)C(C)(C)[C@@H]1O 238257908 573047760 /nfs/dbraw/zinc/04/77/60/573047760.db2.gz RPHUYAYKESFYFF-SSDOTTSWSA-N 0 0 155.241 1.627 10 0 ADAERN C[C@@H](CO)c1cccc2c1OCC2 257935163 573047773 /nfs/dbraw/zinc/04/77/73/573047773.db2.gz CBVBCJULIRPPIC-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN CC[C@H](CCOC)OC(=O)C(F)F 308248166 573047780 /nfs/dbraw/zinc/04/77/80/573047780.db2.gz YXELEWVMIXPZET-ZCFIWIBFSA-N 0 0 196.193 1.610 10 0 ADAERN C=C(OCC)c1cccnn1 113984891 573047797 /nfs/dbraw/zinc/04/77/97/573047797.db2.gz GSHQEIKKYSSVLQ-UHFFFAOYSA-N 0 0 150.181 1.484 10 0 ADAERN c1c([C@H]2CCC[NH2+]2)noc1C1CC1 88039718 573047798 /nfs/dbraw/zinc/04/77/98/573047798.db2.gz WSQPSQWYENAPEC-MRVPVSSYSA-N 0 0 178.235 1.977 10 0 ADAERN CC/C=C\[C@H](O)[C@H]1COC(C)(C)O1 308234474 573047799 /nfs/dbraw/zinc/04/77/99/573047799.db2.gz VGXRSHXTEBLLLO-FEDQFDDPSA-N 0 0 186.251 1.465 10 0 ADAERN Cc1c(F)cccc1CNO 257935370 573047819 /nfs/dbraw/zinc/04/78/19/573047819.db2.gz CIBFIGLGCCDNET-UHFFFAOYSA-N 0 0 155.172 1.613 10 0 ADAERN CCC[C@@H](CO)[C@H](C)COC 128462637 573047821 /nfs/dbraw/zinc/04/78/21/573047821.db2.gz MUUXKOZOAQKBSO-BDAKNGLRSA-N 0 0 160.257 1.678 10 0 ADAERN C=Cc1cc(F)cnc1N 104590908 573048203 /nfs/dbraw/zinc/04/82/03/573048203.db2.gz APNYUCFJXZVKAI-UHFFFAOYSA-N 0 0 138.145 1.446 10 0 ADAERN CCOC(=O)[C@](C)(N)CC(F)(F)F 257932480 573047827 /nfs/dbraw/zinc/04/78/27/573047827.db2.gz ZXSCYQLRJGLYDQ-ZCFIWIBFSA-N 0 0 199.172 1.219 10 0 ADAERN C=C=CCC[C@H](O)C[C@@H](O)C(C)C 308233883 573047838 /nfs/dbraw/zinc/04/78/38/573047838.db2.gz VASMKMMDXQUTKO-WDEREUQCSA-N 0 0 184.279 1.876 10 0 ADAERN CCNC(=O)c1ccc(OC)nc1C 238259093 573047856 /nfs/dbraw/zinc/04/78/56/573047856.db2.gz RMFFRCKFKDVUMB-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 ADAERN CCC[C@@H](O)c1cc(O)ccc1N 257934676 573047858 /nfs/dbraw/zinc/04/78/58/573047858.db2.gz UDXCMTQMUDBHTF-SNVBAGLBSA-N 0 0 181.235 1.808 10 0 ADAERN C[C@H]1C[C@H](O)c2cc(O)ccc2N1 257934671 573047878 /nfs/dbraw/zinc/04/78/78/573047878.db2.gz UDKKZOHEXBIDKV-WKEGUHRASA-N 0 0 179.219 1.630 10 0 ADAERN CCNc1nc(N=O)nc(NCC)n1 238258592 573047891 /nfs/dbraw/zinc/04/78/91/573047891.db2.gz GCXLJDSDSQLRPO-UHFFFAOYSA-N 0 0 196.214 1.133 10 0 ADAERN CCC[C@H]1C[C@H]1C(=O)NCC1CC1 308247671 573047892 /nfs/dbraw/zinc/04/78/92/573047892.db2.gz XZVKPYDVKGFOPJ-VHSXEESVSA-N 0 0 181.279 1.949 10 0 ADAERN CCOCc1nc2ccc(C)nc2[nH]1 88037630 573047897 /nfs/dbraw/zinc/04/78/97/573047897.db2.gz GFCLDYHKARRLHH-UHFFFAOYSA-N 0 0 191.234 1.803 10 0 ADAERN CCC(CC)C[C@@H]1CCC(=O)NC1=O 128575272 573047899 /nfs/dbraw/zinc/04/78/99/573047899.db2.gz XNYUISCTKJSZIU-VIFPVBQESA-N 0 0 197.278 1.866 10 0 ADAERN c1nnsc1[C@@H]1CCCCC[NH2+]1 88040259 573047920 /nfs/dbraw/zinc/04/79/20/573047920.db2.gz VWCUKAJIPHENTB-ZETCQYMHSA-N 0 0 183.280 1.743 10 0 ADAERN CCC[C@H](C)[C@@](C)([NH3+])C(=O)[O-] 238258737 573047930 /nfs/dbraw/zinc/04/79/30/573047930.db2.gz SQAIKNQOZJTNDI-POYBYMJQSA-N 0 0 159.229 1.225 10 0 ADAERN CCCC[C@H](O)c1ncnn1CC 308234513 573047932 /nfs/dbraw/zinc/04/79/32/573047932.db2.gz VKMVFONFESVKKO-QMMMGPOBSA-N 0 0 183.255 1.522 10 0 ADAERN CC[C@@H](C)ONC(=O)c1cnco1 308247818 573047939 /nfs/dbraw/zinc/04/79/39/573047939.db2.gz YGEMFYBALOCLDO-ZCFIWIBFSA-N 0 0 184.195 1.135 10 0 ADAERN C[NH2+][C@@H](C)c1nc2ccc(C)nc2[nH]1 88037327 573048208 /nfs/dbraw/zinc/04/82/08/573048208.db2.gz HJSXKIUGASCILJ-ZETCQYMHSA-N 0 0 190.250 1.547 10 0 ADAERN COc1cc(N[C@H]2C[C@@H]2C)nc(C)n1 85485527 573047958 /nfs/dbraw/zinc/04/79/58/573047958.db2.gz IHGLKXSSZKAZFC-XPUUQOCRSA-N 0 0 193.250 1.614 10 0 ADAERN COc1cc(NCC2CC2)nc(C)n1 85485420 573047964 /nfs/dbraw/zinc/04/79/64/573047964.db2.gz AVBPYSMOQGLMKE-UHFFFAOYSA-N 0 0 193.250 1.616 10 0 ADAERN Cc1ccc2nc(C3([NH3+])CC3)[nH]c2n1 88037276 573047970 /nfs/dbraw/zinc/04/79/70/573047970.db2.gz GJUNCSIQEQKFQC-UHFFFAOYSA-N 0 0 188.234 1.214 10 0 ADAERN CC1=NC(C)(C)C(C)(C)[C@H]1O 238257919 573047973 /nfs/dbraw/zinc/04/79/73/573047973.db2.gz RPHUYAYKESFYFF-ZETCQYMHSA-N 0 0 155.241 1.627 10 0 ADAERN CCn1nc(COC(C)C)cc1N 257934654 573048010 /nfs/dbraw/zinc/04/80/10/573048010.db2.gz PSZIPVWQWVGVLJ-UHFFFAOYSA-N 0 0 183.255 1.410 10 0 ADAERN CCOc1cncc(NC(C)=O)c1 238261912 573048012 /nfs/dbraw/zinc/04/80/12/573048012.db2.gz LQCMIMUXQAZILE-UHFFFAOYSA-N 0 0 180.207 1.439 10 0 ADAERN CCn1cc(C)nc1CN(C)C 257934856 573048077 /nfs/dbraw/zinc/04/80/77/573048077.db2.gz UIAFFNMVEPEBHK-UHFFFAOYSA-N 0 0 167.256 1.273 10 0 ADAERN CCCC[C@H](O)C(=O)NC1(C)CC1 308247836 573048084 /nfs/dbraw/zinc/04/80/84/573048084.db2.gz YGTCKKLEZSZZGU-QMMMGPOBSA-N 0 0 185.267 1.206 10 0 ADAERN CCNC(=O)c1ccc(O)cc1OC 238258980 573048216 /nfs/dbraw/zinc/04/82/16/573048216.db2.gz LEUMYXJFQTYNBZ-UHFFFAOYSA-N 0 0 195.218 1.151 10 0 ADAERN CCNC(=O)c1cccc(O)c1OC 238259304 573048139 /nfs/dbraw/zinc/04/81/39/573048139.db2.gz BPQWEDIECUWOBN-UHFFFAOYSA-N 0 0 195.218 1.151 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)NCC(F)F 308247890 573048141 /nfs/dbraw/zinc/04/81/41/573048141.db2.gz YIPOAGVGMNOTMM-RITPCOANSA-N 0 0 192.209 1.349 10 0 ADAERN CC(=O)c1nc2ccc(C)nc2[nH]1 88037646 573048146 /nfs/dbraw/zinc/04/81/46/573048146.db2.gz BPFUDSMANKQSQC-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN CCNC(=O)NCC(F)(F)C1CC1 308248312 573048149 /nfs/dbraw/zinc/04/81/49/573048149.db2.gz ZERFTUXCONEWJH-UHFFFAOYSA-N 0 0 192.209 1.351 10 0 ADAERN CN(C)NCC[C@@H](O)c1ccccc1 308486697 573048150 /nfs/dbraw/zinc/04/81/50/573048150.db2.gz PAXNTXLCZDCWOB-LLVKDONJSA-N 0 0 194.278 1.176 10 0 ADAERN CC1(C)C[C@@]1(C)[C@@H]1CC(=O)N1 717072351 573048219 /nfs/dbraw/zinc/04/82/19/573048219.db2.gz ZYQQUDLLRSSJNL-RCOVLWMOSA-N 0 0 153.225 1.311 10 0 ADAERN CC[C@@H](CO)C(=O)OC[C@H](F)CC 308247875 573048179 /nfs/dbraw/zinc/04/81/79/573048179.db2.gz YIGUWYCUESHWIR-JGVFFNPUSA-N 0 0 192.230 1.296 10 0 ADAERN CCC[C@H]1C[C@@H]1C(=O)NCC1CC1 308247670 573048193 /nfs/dbraw/zinc/04/81/93/573048193.db2.gz XZVKPYDVKGFOPJ-UWVGGRQHSA-N 0 0 181.279 1.949 10 0 ADAERN Cc1nn(C(C)(C)C)cc1N 113911257 573048206 /nfs/dbraw/zinc/04/82/06/573048206.db2.gz OGSJLFJSTADRTE-UHFFFAOYSA-N 0 0 153.229 1.529 10 0 ADAERN CCC[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]1C 308248331 573048212 /nfs/dbraw/zinc/04/82/12/573048212.db2.gz ZFSPEDYHIXYKTJ-IMSYWVGJSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1ccc2c([nH+]1)NC1(CC1)CN2 88037012 573048637 /nfs/dbraw/zinc/04/86/37/573048637.db2.gz OAVDNZRSGWYIPD-UHFFFAOYSA-N 0 0 175.235 1.760 10 0 ADAERN COc1nc2ccc(C)nc2[nH]1 88037483 573048222 /nfs/dbraw/zinc/04/82/22/573048222.db2.gz WWWDKAFZANJWPZ-UHFFFAOYSA-N 0 0 163.180 1.275 10 0 ADAERN Nc1cc([C@H]2CCOC2)ccc1O 257934532 573048238 /nfs/dbraw/zinc/04/82/38/573048238.db2.gz UBDMNIWHFQWUCG-QMMMGPOBSA-N 0 0 179.219 1.478 10 0 ADAERN O[C@@H](Cc1ccccn1)[C@@H]1CCOC1 82456572 573048241 /nfs/dbraw/zinc/04/82/41/573048241.db2.gz BDFWMRXGRMMBGJ-KOLCDFICSA-N 0 0 193.246 1.022 10 0 ADAERN C=C/C=C(/C)[C@H](O)CC[C@H](C)CO 308233828 573048256 /nfs/dbraw/zinc/04/82/56/573048256.db2.gz UWUUIEVPEXJOJA-QEBWYVITSA-N 0 0 184.279 1.888 10 0 ADAERN Cc1ccc2nc([C@H](C)[NH3+])[nH]c2n1 88037185 573048259 /nfs/dbraw/zinc/04/82/59/573048259.db2.gz JGUGXZAOLAGTOB-LURJTMIESA-N 0 0 176.223 1.286 10 0 ADAERN CCC[C@@H]1C[C@@H]1C(=O)N(CC)OC 308248347 573048272 /nfs/dbraw/zinc/04/82/72/573048272.db2.gz ZGDGBSKWCIKNDG-BDAKNGLRSA-N 0 0 185.267 1.833 10 0 ADAERN CC[C@H](F)COC(=O)[C@@H](CC)CO 308247877 573048276 /nfs/dbraw/zinc/04/82/76/573048276.db2.gz YIGUWYCUESHWIR-YUMQZZPRSA-N 0 0 192.230 1.296 10 0 ADAERN Cc1ccc(N)c(O[C@H]2CCOC2)n1 88035862 573048296 /nfs/dbraw/zinc/04/82/96/573048296.db2.gz QLQSHJOXARTQHP-QMMMGPOBSA-N 0 0 194.234 1.140 10 0 ADAERN O=C(c1ccsc1)[C@@H]1CCOC1 82456430 573048299 /nfs/dbraw/zinc/04/82/99/573048299.db2.gz SAUXGZNXSYCZKZ-SSDOTTSWSA-N 0 0 182.244 1.967 10 0 ADAERN CCC[C@@H](O)[C@@H]1OC1(C)C 238258401 573048306 /nfs/dbraw/zinc/04/83/06/573048306.db2.gz AFOOHHPWBWFFJU-RQJHMYQMSA-N 0 0 144.214 1.325 10 0 ADAERN CCCOCc1nccc(C(C)=O)n1 308486804 573048310 /nfs/dbraw/zinc/04/83/10/573048310.db2.gz NUICBBNMWDKULA-UHFFFAOYSA-N 0 0 194.234 1.606 10 0 ADAERN C[C@@](O)(c1cccs1)[C@@H]1CCOC1 82456268 573048316 /nfs/dbraw/zinc/04/83/16/573048316.db2.gz QFPSWGCUDZBRBA-SCZZXKLOSA-N 0 0 198.287 1.992 10 0 ADAERN c1snnc1[C@H]1CCCCC[NH2+]1 88040190 573048318 /nfs/dbraw/zinc/04/83/18/573048318.db2.gz ZXWCKQCXAYLRMZ-SSDOTTSWSA-N 0 0 183.280 1.743 10 0 ADAERN Cc1cccnc1[C@H](O)[C@@H]1CCOC1 82456640 573048330 /nfs/dbraw/zinc/04/83/30/573048330.db2.gz VMAGRRQBOVBIOB-MWLCHTKSSA-N 0 0 193.246 1.460 10 0 ADAERN CCCOC(=O)CC1OCCCO1 308247696 573048347 /nfs/dbraw/zinc/04/83/47/573048347.db2.gz YAWMCDRXSBWKKR-UHFFFAOYSA-N 0 0 188.223 1.093 10 0 ADAERN CCCn1c(N)nc2ccc(C)nc21 88036351 573048348 /nfs/dbraw/zinc/04/83/48/573048348.db2.gz WKWHAPNLLYUTBU-UHFFFAOYSA-N 0 0 190.250 1.732 10 0 ADAERN CCOc1c(O)c(C)cc(O)c1OC 238257697 573048356 /nfs/dbraw/zinc/04/83/56/573048356.db2.gz FZWJKGPYDOJYGS-UHFFFAOYSA-N 0 0 198.218 1.814 10 0 ADAERN C=Cc1nncs1 113987052 573048363 /nfs/dbraw/zinc/04/83/63/573048363.db2.gz LAFPDIKNLWAFFF-UHFFFAOYSA-N 0 0 112.157 1.181 10 0 ADAERN CC[C@](O)(C(C)C)[C@H]1CCOC1 82456242 573048366 /nfs/dbraw/zinc/04/83/66/573048366.db2.gz DSTIHHXLHQBBTC-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN Nc1c(-c2ccccc2)c1=O 104589167 573048369 /nfs/dbraw/zinc/04/83/69/573048369.db2.gz OOAZOQUCANCJBU-UHFFFAOYSA-N 0 0 145.161 1.172 10 0 ADAERN O[C@H](c1ccccc1F)[C@@H]1CCOC1 82456713 573048375 /nfs/dbraw/zinc/04/83/75/573048375.db2.gz OJJLGDNPVSRZSI-KCJUWKMLSA-N 0 0 196.221 1.896 10 0 ADAERN CC1=CCC[C@@H]2CNC(=O)C[C@@H]12 238257894 573048381 /nfs/dbraw/zinc/04/83/81/573048381.db2.gz ULXJSLRPCWGZNC-BDAKNGLRSA-N 0 0 165.236 1.479 10 0 ADAERN CCC[C@@H]1C[C@H]1C(=O)N(CC)OC 308248350 573048385 /nfs/dbraw/zinc/04/83/85/573048385.db2.gz ZGDGBSKWCIKNDG-RKDXNWHRSA-N 0 0 185.267 1.833 10 0 ADAERN CC1=NCC(=O)Nc2ccsc21 238258473 573048397 /nfs/dbraw/zinc/04/83/97/573048397.db2.gz WDXYMNIAJZJZDX-UHFFFAOYSA-N 0 0 180.232 1.509 10 0 ADAERN CCOc1c(O)cc(C)c(O)c1OC 238257757 573048407 /nfs/dbraw/zinc/04/84/07/573048407.db2.gz UZBULJIGLWNBML-UHFFFAOYSA-N 0 0 198.218 1.814 10 0 ADAERN O=Cc1c2c(nn1C1CC1)COC2 257934552 573048410 /nfs/dbraw/zinc/04/84/10/573048410.db2.gz UBLJTFNXTCTMNH-UHFFFAOYSA-N 0 0 178.191 1.061 10 0 ADAERN C[C@](O)(c1ccccc1)[C@H]1CCOC1 82456157 573048434 /nfs/dbraw/zinc/04/84/34/573048434.db2.gz WQKOULBCSCSBRQ-RYUDHWBXSA-N 0 0 192.258 1.931 10 0 ADAERN COCc1cc([C@@H]2CCC[NH2+]2)no1 88039853 573048440 /nfs/dbraw/zinc/04/84/40/573048440.db2.gz WGWSEUJCKBNAMH-QMMMGPOBSA-N 0 0 182.223 1.246 10 0 ADAERN CC[C@@](O)(C(C)C)[C@@H]1CCOC1 82456241 573048441 /nfs/dbraw/zinc/04/84/41/573048441.db2.gz DSTIHHXLHQBBTC-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN O[C@@H](c1cccnc1)[C@H]1CCOC1 82456546 573048450 /nfs/dbraw/zinc/04/84/50/573048450.db2.gz KJHYJCWKLJXXQY-UWVGGRQHSA-N 0 0 179.219 1.152 10 0 ADAERN Cc1ccc(N)c(-n2ccnc2)n1 88035674 573048538 /nfs/dbraw/zinc/04/85/38/573048538.db2.gz UQRJIOXUVOIISJ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCCN(C)C(=O)N[C@H]1C[C@@H]1CC 308248076 573048474 /nfs/dbraw/zinc/04/84/74/573048474.db2.gz YTRTUSYGRZZTQD-IUCAKERBSA-N 0 0 184.283 1.836 10 0 ADAERN Cc1ccc2nc(N)n(C3CC3)c2n1 88036341 573048479 /nfs/dbraw/zinc/04/84/79/573048479.db2.gz ZNSGWSCHMGCLML-UHFFFAOYSA-N 0 0 188.234 1.657 10 0 ADAERN O[C@@H](c1cccnc1)[C@@H]1CCOC1 82456544 573048514 /nfs/dbraw/zinc/04/85/14/573048514.db2.gz KJHYJCWKLJXXQY-ZJUUUORDSA-N 0 0 179.219 1.152 10 0 ADAERN C[C@@H]1C[C@@H](O)c2cc(O)ccc2N1 257934665 573049756 /nfs/dbraw/zinc/04/97/56/573049756.db2.gz UDKKZOHEXBIDKV-LHLIQPBNSA-N 0 0 179.219 1.630 10 0 ADAERN CCOC(=O)Cc1ccc(F)o1 259600029 573048526 /nfs/dbraw/zinc/04/85/26/573048526.db2.gz CTUSUTOPYWQMJY-UHFFFAOYSA-N 0 0 172.155 1.524 10 0 ADAERN CC[C@@]1(C)C(=O)C[C@@H]1OC 85504468 573048552 /nfs/dbraw/zinc/04/85/52/573048552.db2.gz AVHIGJOBLJJWIZ-YUMQZZPRSA-N 0 0 142.198 1.391 10 0 ADAERN Cc1ccc2c([nH+]1)NC[C@@H](C)CN2 88037025 573048555 /nfs/dbraw/zinc/04/85/55/573048555.db2.gz SGLYFUJTKZSBCB-ZETCQYMHSA-N 0 0 177.251 1.864 10 0 ADAERN O=C(c1cccnc1)[C@@H]1CCOC1 82456426 573048574 /nfs/dbraw/zinc/04/85/74/573048574.db2.gz NMLCNYNRMYZYEW-SECBINFHSA-N 0 0 177.203 1.301 10 0 ADAERN C=CO[C@H](C)COC 85503720 573048601 /nfs/dbraw/zinc/04/86/01/573048601.db2.gz QUMBYNOKZMNRAJ-ZCFIWIBFSA-N 0 0 116.160 1.181 10 0 ADAERN CCOc1occ2c1C(=O)OC2 238258929 573048602 /nfs/dbraw/zinc/04/86/02/573048602.db2.gz PQZJFKQYQJSIST-UHFFFAOYSA-N 0 0 168.148 1.349 10 0 ADAERN C=COC/C=C/C 85503641 573048606 /nfs/dbraw/zinc/04/86/06/573048606.db2.gz PSPHUEMBSBTXKQ-HWKANZROSA-N 0 0 98.145 1.723 10 0 ADAERN CC(C)C[C@@H](O)[C@H]1CCOC1 82456567 573048614 /nfs/dbraw/zinc/04/86/14/573048614.db2.gz UHXVBOZQKQXPCZ-DTWKUNHWSA-N 0 0 158.241 1.430 10 0 ADAERN CCC[C@@H](C)[C@@H]1NC(=O)SC1=O 238258775 573048640 /nfs/dbraw/zinc/04/86/40/573048640.db2.gz XMZPJQYZYILWKV-RITPCOANSA-N 0 0 187.264 1.774 10 0 ADAERN CC1=CCC[C@H]2CNC(=O)C[C@H]12 238258091 573048646 /nfs/dbraw/zinc/04/86/46/573048646.db2.gz ULXJSLRPCWGZNC-DTWKUNHWSA-N 0 0 165.236 1.479 10 0 ADAERN CCCc1cnnc(Cl)c1N 257935611 573048647 /nfs/dbraw/zinc/04/86/47/573048647.db2.gz LBOLBUPAXNPOSU-UHFFFAOYSA-N 0 0 171.631 1.665 10 0 ADAERN CCOc1nc2ccc(C)nc2[nH]1 88037572 573048648 /nfs/dbraw/zinc/04/86/48/573048648.db2.gz YTIHUFBERPMDSM-UHFFFAOYSA-N 0 0 177.207 1.665 10 0 ADAERN C[C@H](O)c1cccc2ncoc12 257935355 573048656 /nfs/dbraw/zinc/04/86/56/573048656.db2.gz CHMYQXCPNBQZLD-LURJTMIESA-N 0 0 163.176 1.881 10 0 ADAERN Cc1ccc2c([nH+]1)N(C)CCCN2 88037061 573048666 /nfs/dbraw/zinc/04/86/66/573048666.db2.gz FBWQUEWYYAWWAC-UHFFFAOYSA-N 0 0 177.251 1.642 10 0 ADAERN O[C@H](C1CCCC1)[C@@H]1CCOC1 82456611 573048670 /nfs/dbraw/zinc/04/86/70/573048670.db2.gz AERKLVXEDXRLRO-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN CCCC[C@@H](O)c1ncnn1CC 308234512 573048671 /nfs/dbraw/zinc/04/86/71/573048671.db2.gz VKMVFONFESVKKO-MRVPVSSYSA-N 0 0 183.255 1.522 10 0 ADAERN CCCC[C@@H](O)C(=O)NC1(C)CC1 308247835 573048683 /nfs/dbraw/zinc/04/86/83/573048683.db2.gz YGTCKKLEZSZZGU-MRVPVSSYSA-N 0 0 185.267 1.206 10 0 ADAERN Clc1cccc([C@@H]2CNOC2)c1 257934686 573048688 /nfs/dbraw/zinc/04/86/88/573048688.db2.gz UDZFCNVTHVEQDS-MRVPVSSYSA-N 0 0 183.638 1.958 10 0 ADAERN CCn1c(N)nc2ccc(C)nc21 88036339 573048690 /nfs/dbraw/zinc/04/86/90/573048690.db2.gz TYUKTPWXSCHKOP-UHFFFAOYSA-N 0 0 176.223 1.342 10 0 ADAERN COCc1cc([C@H]2CCC[NH2+]2)no1 88039856 573048698 /nfs/dbraw/zinc/04/86/98/573048698.db2.gz WGWSEUJCKBNAMH-MRVPVSSYSA-N 0 0 182.223 1.246 10 0 ADAERN Nc1ccc(O[C@H]2CCOC2)cc1F 82456064 573048707 /nfs/dbraw/zinc/04/87/07/573048707.db2.gz PRVMYDRISITNMI-QMMMGPOBSA-N 0 0 197.209 1.576 10 0 ADAERN O=C(Cc1cccnc1)[C@H]1CCOC1 82456485 573048717 /nfs/dbraw/zinc/04/87/17/573048717.db2.gz XTQRVVSJWFPDSA-JTQLQIEISA-N 0 0 191.230 1.230 10 0 ADAERN C/C=C/C(=O)NCC1CCCC1 85500944 573048720 /nfs/dbraw/zinc/04/87/20/573048720.db2.gz CNVXJPQQTLADCA-GORDUTHDSA-N 0 0 167.252 1.869 10 0 ADAERN O[C@H](c1ccccn1)[C@@H]1CCOC1 82456541 573048722 /nfs/dbraw/zinc/04/87/22/573048722.db2.gz ZICOVMJQOOMICI-SCZZXKLOSA-N 0 0 179.219 1.152 10 0 ADAERN O[C@H](Cc1ccccn1)[C@H]1CCOC1 82456575 573048735 /nfs/dbraw/zinc/04/87/35/573048735.db2.gz BDFWMRXGRMMBGJ-GXSJLCMTSA-N 0 0 193.246 1.022 10 0 ADAERN CC[C@H](C)[C@](C)(O)[C@@H]1CCOC1 82456237 573048747 /nfs/dbraw/zinc/04/87/47/573048747.db2.gz XCPFCLVNUPUITN-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN O=C(OCC1CCC1)c1csnn1 308248150 573048749 /nfs/dbraw/zinc/04/87/49/573048749.db2.gz YWUFEGPBZXOWQB-UHFFFAOYSA-N 0 0 198.247 1.495 10 0 ADAERN CC/C=C/C(=O)NC(C)(C)COC 308248088 573048755 /nfs/dbraw/zinc/04/87/55/573048755.db2.gz YUEVKPANLHAELS-VOTSOKGWSA-N 0 0 185.267 1.494 10 0 ADAERN O[C@@H](c1ccncc1)[C@@H]1CCOC1 82456548 573048764 /nfs/dbraw/zinc/04/87/64/573048764.db2.gz ASKDDNXSJZLLBI-ZJUUUORDSA-N 0 0 179.219 1.152 10 0 ADAERN CO[C@@H](CCO)c1cccc(F)c1 257935915 573048780 /nfs/dbraw/zinc/04/87/80/573048780.db2.gz UFVZOKIYDCIAJG-JTQLQIEISA-N 0 0 184.210 1.896 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H]1CCOC1 82456594 573049012 /nfs/dbraw/zinc/04/90/12/573049012.db2.gz RICPVQRRECPNMQ-HTQZYQBOSA-N 0 0 158.241 1.430 10 0 ADAERN O=C1CC(OCC(F)(F)F)C1 85504413 573048803 /nfs/dbraw/zinc/04/88/03/573048803.db2.gz UDYXHJBWJZDLKR-UHFFFAOYSA-N 0 0 168.114 1.297 10 0 ADAERN CC1(C)NN=C2C(=O)CCC=C[C@H]21 238258438 573048806 /nfs/dbraw/zinc/04/88/06/573048806.db2.gz FUONZJYGYPUEDH-SSDOTTSWSA-N 0 0 178.235 1.260 10 0 ADAERN O[C@@H](c1ccsc1)[C@H]1CCOC1 82456554 573048850 /nfs/dbraw/zinc/04/88/50/573048850.db2.gz FETUPQOFINUBQJ-IONNQARKSA-N 0 0 184.260 1.818 10 0 ADAERN CCNc1nc(F)nc(F)c1F 238258022 573048853 /nfs/dbraw/zinc/04/88/53/573048853.db2.gz KZAMMFZDKXEJJI-UHFFFAOYSA-N 0 0 177.129 1.326 10 0 ADAERN CC[C@](C)(O)[C@H]1CCOC1 82456206 573048857 /nfs/dbraw/zinc/04/88/57/573048857.db2.gz XJFTUPXPABSSTO-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)[C@@](C)(O)[C@H]1CCOC1 82456211 573048887 /nfs/dbraw/zinc/04/88/87/573048887.db2.gz YHXRAMSYIACSQB-DTWKUNHWSA-N 0 0 158.241 1.430 10 0 ADAERN CCCN(CC1CC1)C(=O)NOC 308248191 573048889 /nfs/dbraw/zinc/04/88/89/573048889.db2.gz YYJFFSAFSQLHDP-UHFFFAOYSA-N 0 0 186.255 1.379 10 0 ADAERN Cc1cccc([C@H]2CC(N)=NO2)c1 257936043 573048906 /nfs/dbraw/zinc/04/89/06/573048906.db2.gz UHXQRHJUYJYZHP-SECBINFHSA-N 0 0 176.219 1.729 10 0 ADAERN O=C1CCC[C@@H]1[C@@H]1CCOC1 82457360 573048909 /nfs/dbraw/zinc/04/89/09/573048909.db2.gz ADEYPGQOHRMZNF-HTQZYQBOSA-N 0 0 154.209 1.392 10 0 ADAERN O=C(CC(F)(F)F)[C@H]1CCOC1 82456465 573048917 /nfs/dbraw/zinc/04/89/17/573048917.db2.gz GGYUJCKPPALQMR-YFKPBYRVSA-N 0 0 182.141 1.544 10 0 ADAERN CC1(C)C(=O)C[C@H]1OC[C@@H]1CCCO1 85505032 573048920 /nfs/dbraw/zinc/04/89/20/573048920.db2.gz CDLTUVUGPWGECF-WCBMZHEXSA-N 0 0 198.262 1.550 10 0 ADAERN Cc1cc2c(cc1N)CC(=O)N2C 257934573 573048922 /nfs/dbraw/zinc/04/89/22/573048922.db2.gz PRMWXJFKEPDHHP-UHFFFAOYSA-N 0 0 176.219 1.096 10 0 ADAERN CCOc1cc(=S)[nH]c(N)n1 238259509 573048928 /nfs/dbraw/zinc/04/89/28/573048928.db2.gz LZBKMBLAOMBZEU-UHFFFAOYSA-N 0 0 171.225 1.120 10 0 ADAERN Cc1ccc(N)c(-n2cccn2)n1 88035677 573048932 /nfs/dbraw/zinc/04/89/32/573048932.db2.gz ZFGHMOLFUWKOST-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1nc(=O)[nH]c2c1CSCC2 257936020 573048933 /nfs/dbraw/zinc/04/89/33/573048933.db2.gz UHMXVVHUFAHHTO-UHFFFAOYSA-N 0 0 182.248 1.280 10 0 ADAERN CC1(C)C[C@H](NN)c2ccccc2O1 88037798 573048936 /nfs/dbraw/zinc/04/89/36/573048936.db2.gz QXCPADKLJNBELZ-VIFPVBQESA-N 0 0 192.262 1.752 10 0 ADAERN CC(C)Nc1nc(N)co1 257935111 573048938 /nfs/dbraw/zinc/04/89/38/573048938.db2.gz ULVZIFSAFHZZPB-UHFFFAOYSA-N 0 0 141.174 1.077 10 0 ADAERN Cc1ccc(N)c(-n2ccc(C)n2)n1 88035704 573048976 /nfs/dbraw/zinc/04/89/76/573048976.db2.gz QQUBVTCLDGWUHN-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CO[C@@H]1CC(=O)C1(C)C 85504482 573048952 /nfs/dbraw/zinc/04/89/52/573048952.db2.gz OJYREKZWVYDWKO-ZCFIWIBFSA-N 0 0 128.171 1.000 10 0 ADAERN Cc1ccc2c([nH+]1)N[C@H](C)CN2 88036963 573048958 /nfs/dbraw/zinc/04/89/58/573048958.db2.gz KBQPABLJNNLNHC-SSDOTTSWSA-N 0 0 163.224 1.616 10 0 ADAERN C[C@H]1Oc2cc(C=O)ccc2NC1=O 114042125 573048962 /nfs/dbraw/zinc/04/89/62/573048962.db2.gz WKSAFQBJHNJQHB-ZCFIWIBFSA-N 0 0 191.186 1.219 10 0 ADAERN CC1=NCC(=O)Nc2ccc(C)cc21 238258443 573048964 /nfs/dbraw/zinc/04/89/64/573048964.db2.gz LMSXZHHHSZVHCD-UHFFFAOYSA-N 0 0 188.230 1.756 10 0 ADAERN O[C@H](c1cccc(F)c1)[C@@H]1CCOC1 82456533 573048966 /nfs/dbraw/zinc/04/89/66/573048966.db2.gz SDFHSNWVSLSTAG-MWLCHTKSSA-N 0 0 196.221 1.896 10 0 ADAERN Cc1c(O)ccc(CCON)c1C 257932725 573049005 /nfs/dbraw/zinc/04/90/05/573049005.db2.gz BVCCKWKAXWIPRK-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN CC[C@](C)(O)Cn1cccc1 123512770 573048987 /nfs/dbraw/zinc/04/89/87/573048987.db2.gz KTHKYYHJGRXRQU-VIFPVBQESA-N 0 0 153.225 1.649 10 0 ADAERN COC(=O)[C@H](C)Cc1cc[nH]c1 259600031 573048993 /nfs/dbraw/zinc/04/89/93/573048993.db2.gz CTYICNDPUVXVFV-SSDOTTSWSA-N 0 0 167.208 1.366 10 0 ADAERN C[C@H]1CN(c2cncc(N)n2)C[C@@H]1C 85502232 573049002 /nfs/dbraw/zinc/04/90/02/573049002.db2.gz OUHRSPQJNKUCDR-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN O[C@H](Cc1cccnc1)[C@H]1CCOC1 82456667 573049003 /nfs/dbraw/zinc/04/90/03/573049003.db2.gz CNTROQFGMLCSCU-WDEREUQCSA-N 0 0 193.246 1.022 10 0 ADAERN O=C1CC(OC[C@H]2CCCCO2)C1 85504907 573049026 /nfs/dbraw/zinc/04/90/26/573049026.db2.gz LQNXDPOQTDONTH-SECBINFHSA-N 0 0 184.235 1.304 10 0 ADAERN CC[C@](C)(O)[C@@H]1CCOC1 82456204 573049029 /nfs/dbraw/zinc/04/90/29/573049029.db2.gz XJFTUPXPABSSTO-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN CC1(C)C(=O)C[C@H]1OCC(F)(F)F 85504444 573049039 /nfs/dbraw/zinc/04/90/39/573049039.db2.gz SEVMKOFKRZIBEL-ZCFIWIBFSA-N 0 0 196.168 1.933 10 0 ADAERN CC1=CC[C@@H]2CCC(=O)[C@H]12 238259280 573049040 /nfs/dbraw/zinc/04/90/40/573049040.db2.gz BHWFPVPBGWTRIZ-VXNVDRBHSA-N 0 0 136.194 1.932 10 0 ADAERN OCCOc1ccc2occc2c1 257935230 573049421 /nfs/dbraw/zinc/04/94/21/573049421.db2.gz CDNDIRNJAOTNPI-UHFFFAOYSA-N 0 0 178.187 1.804 10 0 ADAERN CC(C)N1CCCC[C@@H]1ON 257935644 573049048 /nfs/dbraw/zinc/04/90/48/573049048.db2.gz LCCYBIARBADKTO-QMMMGPOBSA-N 0 0 158.245 1.097 10 0 ADAERN COc1ccc(OC2CC(=O)C2)cc1 85504211 573049050 /nfs/dbraw/zinc/04/90/50/573049050.db2.gz SZLFEDHFGLWTPT-UHFFFAOYSA-N 0 0 192.214 1.806 10 0 ADAERN CCCC[P@H](=O)CCCO 238257672 573049054 /nfs/dbraw/zinc/04/90/54/573049054.db2.gz NRBAKNKRROCUAL-UHFFFAOYSA-N 0 0 164.185 1.729 10 0 ADAERN O=C(CC(F)(F)F)[C@@H]1CCOC1 82456464 573049060 /nfs/dbraw/zinc/04/90/60/573049060.db2.gz GGYUJCKPPALQMR-RXMQYKEDSA-N 0 0 182.141 1.544 10 0 ADAERN C[C@H](CO)c1cccc2c1OCC2 257935160 573049065 /nfs/dbraw/zinc/04/90/65/573049065.db2.gz CBVBCJULIRPPIC-MRVPVSSYSA-N 0 0 178.231 1.717 10 0 ADAERN CSc1ncc2cccn2n1 114006702 573049086 /nfs/dbraw/zinc/04/90/86/573049086.db2.gz ONMAVYUBXLAFHG-UHFFFAOYSA-N 0 0 165.221 1.451 10 0 ADAERN Cc1ccc(N)c(-n2ccnc2C)n1 88035678 573049095 /nfs/dbraw/zinc/04/90/95/573049095.db2.gz FCCAPMIMNKORJV-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC[C@@](C)(O)[C@@H]1CCOC1 82456205 573049097 /nfs/dbraw/zinc/04/90/97/573049097.db2.gz XJFTUPXPABSSTO-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN CC[C@H](C)CN1C(=O)C2(CC2)N[C@@H]1C 123509970 573049106 /nfs/dbraw/zinc/04/91/06/573049106.db2.gz BNWSMKSOCKYBSL-IUCAKERBSA-N 0 0 196.294 1.343 10 0 ADAERN O=C(c1ccncc1)[C@@H]1CCOC1 82456428 573049122 /nfs/dbraw/zinc/04/91/22/573049122.db2.gz DQDDBCMZYBBBRA-SECBINFHSA-N 0 0 177.203 1.301 10 0 ADAERN CCNC(=O)c1cccc(F)c1OC 238259243 573049124 /nfs/dbraw/zinc/04/91/24/573049124.db2.gz LZMJRWCYDKADDX-UHFFFAOYSA-N 0 0 197.209 1.584 10 0 ADAERN O[C@H](c1ccncc1)[C@@H]1CCOC1 82456549 573049129 /nfs/dbraw/zinc/04/91/29/573049129.db2.gz ASKDDNXSJZLLBI-NXEZZACHSA-N 0 0 179.219 1.152 10 0 ADAERN C[C@@](O)(c1ccccc1)[C@H]1CCOC1 82456156 573049142 /nfs/dbraw/zinc/04/91/42/573049142.db2.gz WQKOULBCSCSBRQ-NWDGAFQWSA-N 0 0 192.258 1.931 10 0 ADAERN CCC[C@@H](O)[C@@H]1CC12CC2 238258133 573049147 /nfs/dbraw/zinc/04/91/47/573049147.db2.gz XJWQFJJLBCYJAV-JGVFFNPUSA-N 0 0 140.226 1.948 10 0 ADAERN Cc1ccc2c([nH+]1)N(C)CCN2 88036966 573049148 /nfs/dbraw/zinc/04/91/48/573049148.db2.gz ZNPXXSAJCPXRGZ-UHFFFAOYSA-N 0 0 163.224 1.252 10 0 ADAERN O=C(c1cccnc1)[C@H]1CCOC1 82456427 573049158 /nfs/dbraw/zinc/04/91/58/573049158.db2.gz NMLCNYNRMYZYEW-VIFPVBQESA-N 0 0 177.203 1.301 10 0 ADAERN Cc1nc(Cl)c(N)c(C)c1N 257934610 573049169 /nfs/dbraw/zinc/04/91/69/573049169.db2.gz UCWBPMYSSMFPBX-UHFFFAOYSA-N 0 0 171.631 1.516 10 0 ADAERN OC[C@@H]1CCNc2ccc(O)cc21 257936091 573049176 /nfs/dbraw/zinc/04/91/76/573049176.db2.gz UIKXTMSVGVZTKG-ZETCQYMHSA-N 0 0 179.219 1.284 10 0 ADAERN O[C@@H](CC(F)(F)F)[C@@H]1CCOC1 82456620 573049179 /nfs/dbraw/zinc/04/91/79/573049179.db2.gz VVPXZTZSMPPPPF-RITPCOANSA-N 0 0 184.157 1.336 10 0 ADAERN C=CO[C@@H](C)COC 85503716 573049182 /nfs/dbraw/zinc/04/91/82/573049182.db2.gz QUMBYNOKZMNRAJ-LURJTMIESA-N 0 0 116.160 1.181 10 0 ADAERN c1nnsc1[C@H]1CCCCC[NH2+]1 88040261 573049207 /nfs/dbraw/zinc/04/92/07/573049207.db2.gz VWCUKAJIPHENTB-SSDOTTSWSA-N 0 0 183.280 1.743 10 0 ADAERN O[C@@H](Cc1ccccn1)[C@H]1CCOC1 82456574 573049231 /nfs/dbraw/zinc/04/92/31/573049231.db2.gz BDFWMRXGRMMBGJ-ONGXEEELSA-N 0 0 193.246 1.022 10 0 ADAERN O=C1CC(OC2CCCC2)C1 85504348 573049248 /nfs/dbraw/zinc/04/92/48/573049248.db2.gz PSNCPRUBYMRJHD-UHFFFAOYSA-N 0 0 154.209 1.677 10 0 ADAERN Nc1ccc(S[C@@H]2CCOC2)nc1 82456088 573049265 /nfs/dbraw/zinc/04/92/65/573049265.db2.gz IBSGRUCPQYRWIQ-MRVPVSSYSA-N 0 0 196.275 1.545 10 0 ADAERN CC1=CCC[C@@H]2CNC(=O)C[C@H]12 238257886 573049280 /nfs/dbraw/zinc/04/92/80/573049280.db2.gz ULXJSLRPCWGZNC-RKDXNWHRSA-N 0 0 165.236 1.479 10 0 ADAERN C=COC[C@@H]1CCCCO1 85503366 573049296 /nfs/dbraw/zinc/04/92/96/573049296.db2.gz GULFZMDCRYTYEE-QMMMGPOBSA-N 0 0 142.198 1.716 10 0 ADAERN CCC[C@@H](C)C(=O)Nc1ncc[nH]1 82457623 573049736 /nfs/dbraw/zinc/04/97/36/573049736.db2.gz RRNCRBFNACUBFE-SSDOTTSWSA-N 0 0 181.239 1.206 10 0 ADAERN C=COC[C@@H]1CCOC1 85503596 573049737 /nfs/dbraw/zinc/04/97/37/573049737.db2.gz YZGIJMOPZPHVSW-ZETCQYMHSA-N 0 0 128.171 1.183 10 0 ADAERN O[C@@H](c1ccccc1F)[C@H]1CCOC1 82456714 573049315 /nfs/dbraw/zinc/04/93/15/573049315.db2.gz OJJLGDNPVSRZSI-GZMMTYOYSA-N 0 0 196.221 1.896 10 0 ADAERN O[C@H](c1ccccc1F)[C@H]1CCOC1 82456715 573049322 /nfs/dbraw/zinc/04/93/22/573049322.db2.gz OJJLGDNPVSRZSI-KWQFWETISA-N 0 0 196.221 1.896 10 0 ADAERN Cc1ccccc1O[C@@H](C)O 114000658 573049323 /nfs/dbraw/zinc/04/93/23/573049323.db2.gz GJWUEORLYBSRLX-QMMMGPOBSA-N 0 0 152.193 1.712 10 0 ADAERN Nc1cnccc1S[C@H]1CCOC1 82456085 573049335 /nfs/dbraw/zinc/04/93/35/573049335.db2.gz YBEWDKNJVWEACT-ZETCQYMHSA-N 0 0 196.275 1.545 10 0 ADAERN O[C@@H](c1cccc(F)c1)[C@H]1CCOC1 82456534 573049342 /nfs/dbraw/zinc/04/93/42/573049342.db2.gz SDFHSNWVSLSTAG-ONGXEEELSA-N 0 0 196.221 1.896 10 0 ADAERN CC1=CCC[C@@]2(CCCNC2=O)O1 238257976 573049351 /nfs/dbraw/zinc/04/93/51/573049351.db2.gz UMBJENJAHPKQND-JTQLQIEISA-N 0 0 181.235 1.349 10 0 ADAERN Cc1ccc(CNO)c2c1CCC2 257932826 573049354 /nfs/dbraw/zinc/04/93/54/573049354.db2.gz BVTBQOQFIOIUCQ-UHFFFAOYSA-N 0 0 177.247 1.963 10 0 ADAERN C[C@](O)(c1cccs1)[C@H]1CCOC1 82456271 573049741 /nfs/dbraw/zinc/04/97/41/573049741.db2.gz QFPSWGCUDZBRBA-WCBMZHEXSA-N 0 0 198.287 1.992 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H]1CCOC1 82456597 573049363 /nfs/dbraw/zinc/04/93/63/573049363.db2.gz RICPVQRRECPNMQ-YUMQZZPRSA-N 0 0 158.241 1.430 10 0 ADAERN CCNc1nc(Cl)cc(NC)n1 238257690 573049742 /nfs/dbraw/zinc/04/97/42/573049742.db2.gz FAKCJWRNDOYRNL-UHFFFAOYSA-N 0 0 186.646 1.604 10 0 ADAERN O=C(C1CC1)[C@@H]1CCOC1 82456450 573049389 /nfs/dbraw/zinc/04/93/89/573049389.db2.gz YOZUBNXYCIMDLK-SSDOTTSWSA-N 0 0 140.182 1.002 10 0 ADAERN CC[C@]1(C)C(=O)C[C@H]1OC 85504465 573049423 /nfs/dbraw/zinc/04/94/23/573049423.db2.gz AVHIGJOBLJJWIZ-HTQZYQBOSA-N 0 0 142.198 1.391 10 0 ADAERN CCC[C@@H](O)[C@@H]1CCCC(=O)C1 238258221 573049435 /nfs/dbraw/zinc/04/94/35/573049435.db2.gz XPLOSNHEUARNSO-PSASIEDQSA-N 0 0 170.252 1.907 10 0 ADAERN Cc1ccc(N)c(SCCO)n1 88035976 573049441 /nfs/dbraw/zinc/04/94/41/573049441.db2.gz KAJSGGOUJOZNDU-UHFFFAOYSA-N 0 0 184.264 1.057 10 0 ADAERN CCCn1c(CO)nc2ncccc21 238257728 573049445 /nfs/dbraw/zinc/04/94/45/573049445.db2.gz CUPPUPAHGYXDQS-UHFFFAOYSA-N 0 0 191.234 1.334 10 0 ADAERN C[C@](O)(c1ccccc1)[C@@H]1CCOC1 82456155 573049446 /nfs/dbraw/zinc/04/94/46/573049446.db2.gz WQKOULBCSCSBRQ-NEPJUHHUSA-N 0 0 192.258 1.931 10 0 ADAERN CO[C@@H](CO)c1ccccc1O 257932696 573049455 /nfs/dbraw/zinc/04/94/55/573049455.db2.gz AWOLIZHYPTZTLZ-VIFPVBQESA-N 0 0 168.192 1.072 10 0 ADAERN CC[C@H]([NH3+])c1nc2ccc(C)nc2[nH]1 88037353 573049456 /nfs/dbraw/zinc/04/94/56/573049456.db2.gz UNKVAGQKNDJJPJ-ZETCQYMHSA-N 0 0 190.250 1.676 10 0 ADAERN CC[C@@H]1CNC(=S)S1 104593833 573049458 /nfs/dbraw/zinc/04/94/58/573049458.db2.gz DTCCRBGCKHAPJV-SCSAIBSYSA-N 0 0 147.268 1.386 10 0 ADAERN CC1=CC[C@@H]2C=CO[C@@H](O)[C@@H]12 238259085 573049460 /nfs/dbraw/zinc/04/94/60/573049460.db2.gz RDAOXKDXNYRMLK-HRDYMLBCSA-N 0 0 152.193 1.431 10 0 ADAERN OC1([C@@H]2CCOC2)CCCCC1 82456130 573049470 /nfs/dbraw/zinc/04/94/70/573049470.db2.gz KQOIQJVHBKXVLF-SECBINFHSA-N 0 0 170.252 1.718 10 0 ADAERN CC1(C)C[C@@H](NN)c2ccccc2O1 88037800 573049477 /nfs/dbraw/zinc/04/94/77/573049477.db2.gz QXCPADKLJNBELZ-SECBINFHSA-N 0 0 192.262 1.752 10 0 ADAERN C[C@@H]1CCC[C@](O)([C@@H]2CCOC2)C1 82456136 573049488 /nfs/dbraw/zinc/04/94/88/573049488.db2.gz NSZOYSIHFNVOCD-GMTAPVOTSA-N 0 0 184.279 1.964 10 0 ADAERN CCC(CC)C(=O)Nc1ncc[nH]1 82457641 573049749 /nfs/dbraw/zinc/04/97/49/573049749.db2.gz RCCLAEAVNOTGRW-UHFFFAOYSA-N 0 0 181.239 1.206 10 0 ADAERN O[C@H](C1CCCC1)[C@H]1CCOC1 82456613 573049520 /nfs/dbraw/zinc/04/95/20/573049520.db2.gz AERKLVXEDXRLRO-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN Clc1ccnc(C2=NCCN2)c1 114064369 573049521 /nfs/dbraw/zinc/04/95/21/573049521.db2.gz LRTWKRYBIRFBJS-UHFFFAOYSA-N 0 0 181.626 1.085 10 0 ADAERN CC[NH2+]Cc1nc2ccc(C)nc2[nH]1 88037369 573049525 /nfs/dbraw/zinc/04/95/25/573049525.db2.gz PHDQQTWUVKHEFR-UHFFFAOYSA-N 0 0 190.250 1.376 10 0 ADAERN CC(=O)C[C@@H](O)c1cccnc1 141876858 573049537 /nfs/dbraw/zinc/04/95/37/573049537.db2.gz JKQOBNNYQKZWIT-SECBINFHSA-N 0 0 165.192 1.094 10 0 ADAERN CCC[C@H](C)C(=O)Nc1ncc[nH]1 82457624 573049557 /nfs/dbraw/zinc/04/95/57/573049557.db2.gz RRNCRBFNACUBFE-ZETCQYMHSA-N 0 0 181.239 1.206 10 0 ADAERN CCCC(=O)[C@H]1CCOC1 82456449 573049574 /nfs/dbraw/zinc/04/95/74/573049574.db2.gz NTMKNMDPPQYROY-ZETCQYMHSA-N 0 0 142.198 1.392 10 0 ADAERN O[C@@H](c1ccccn1)[C@@H]1CCOC1 82456540 573049603 /nfs/dbraw/zinc/04/96/03/573049603.db2.gz ZICOVMJQOOMICI-PSASIEDQSA-N 0 0 179.219 1.152 10 0 ADAERN N[C@H]1O[C@@H]1c1ccccc1 104595485 573049622 /nfs/dbraw/zinc/04/96/22/573049622.db2.gz DXSFQMIDJCBXKO-SFYZADRCSA-N 0 0 135.166 1.043 10 0 ADAERN COCCN(C)C(=O)/C=C/C(C)C 308248838 573049634 /nfs/dbraw/zinc/04/96/34/573049634.db2.gz AMDDUIGGMSVSDI-AATRIKPKSA-N 0 0 185.267 1.303 10 0 ADAERN CC1(C)NN=C2C(=O)CCC=C[C@@H]21 238258423 573049641 /nfs/dbraw/zinc/04/96/41/573049641.db2.gz FUONZJYGYPUEDH-ZETCQYMHSA-N 0 0 178.235 1.260 10 0 ADAERN C[C@@]1(COc2cncc(Cl)c2)CO1 85501971 573049654 /nfs/dbraw/zinc/04/96/54/573049654.db2.gz XTSBBTQSQUUBFC-SECBINFHSA-N 0 0 199.637 1.903 10 0 ADAERN CC(C)[C@](C)(O)[C@@H]1CCOC1 82456208 573049656 /nfs/dbraw/zinc/04/96/56/573049656.db2.gz YHXRAMSYIACSQB-BDAKNGLRSA-N 0 0 158.241 1.430 10 0 ADAERN c1nsnc1[C@@H]1CCCCC[NH2+]1 88040034 573049672 /nfs/dbraw/zinc/04/96/72/573049672.db2.gz HBOXHTIALLRJJI-ZETCQYMHSA-N 0 0 183.280 1.743 10 0 ADAERN C=COc1cccc(S(C)(=O)=O)c1 85503558 573049677 /nfs/dbraw/zinc/04/96/77/573049677.db2.gz SXFUTSIVOJRMGE-UHFFFAOYSA-N 0 0 198.243 1.612 10 0 ADAERN O[C@@H](c1ccccn1)[C@H]1CCOC1 82456542 573049688 /nfs/dbraw/zinc/04/96/88/573049688.db2.gz ZICOVMJQOOMICI-WCBMZHEXSA-N 0 0 179.219 1.152 10 0 ADAERN CN[C@H](N)c1ccc2nc(C)oc2c1 259320018 573049712 /nfs/dbraw/zinc/04/97/12/573049712.db2.gz KVRFLEDVYXEMPC-JTQLQIEISA-N 0 0 191.234 1.313 10 0 ADAERN CC(C)Oc1nc(N)cn1C(C)C 257934981 573049724 /nfs/dbraw/zinc/04/97/24/573049724.db2.gz UKHZGXYBVBQCTR-UHFFFAOYSA-N 0 0 183.255 1.833 10 0 ADAERN O=C1CC(Oc2cccc(F)c2)C1 85504182 573050351 /nfs/dbraw/zinc/05/03/51/573050351.db2.gz FUAJJFKIDWDUGE-UHFFFAOYSA-N 0 0 180.178 1.936 10 0 ADAERN C=COC[C@H]1CCCCO1 85503367 573050359 /nfs/dbraw/zinc/05/03/59/573050359.db2.gz GULFZMDCRYTYEE-MRVPVSSYSA-N 0 0 142.198 1.716 10 0 ADAERN CC(C)C[C@H](O)[C@H]1CCOC1 82456566 573050361 /nfs/dbraw/zinc/05/03/61/573050361.db2.gz UHXVBOZQKQXPCZ-IUCAKERBSA-N 0 0 158.241 1.430 10 0 ADAERN CCOC(=O)NCC(C)(C)Cl 238273787 573050733 /nfs/dbraw/zinc/05/07/33/573050733.db2.gz IBEUBTFZXNSFIX-UHFFFAOYSA-N 0 0 179.647 1.750 10 0 ADAERN O[C@H](Cc1ccncc1)[C@H]1CCOC1 82456671 573050280 /nfs/dbraw/zinc/05/02/80/573050280.db2.gz XLEZVHQHVFEYFZ-WDEREUQCSA-N 0 0 193.246 1.022 10 0 ADAERN C/C=C(\C)C(=O)NC1[C@H]2CCC[C@@H]12 308249672 573050283 /nfs/dbraw/zinc/05/02/83/573050283.db2.gz ANKDZBIIRUWXLB-SYSLIXBVSA-N 0 0 179.263 1.867 10 0 ADAERN CN(CC1CC1)C(=O)C1(F)CCC1 308249360 573050290 /nfs/dbraw/zinc/05/02/90/573050290.db2.gz DOOQPUFOEOHCBG-UHFFFAOYSA-N 0 0 185.242 1.747 10 0 ADAERN Cc1cnc([C@@H]2CCCCC[NH2+]2)cn1 88040179 573050327 /nfs/dbraw/zinc/05/03/27/573050327.db2.gz ITONPYVRMOCGBH-JTQLQIEISA-N 0 0 191.278 1.990 10 0 ADAERN OC1([C@H]2CCOC2)CCCC1 82456141 573050337 /nfs/dbraw/zinc/05/03/37/573050337.db2.gz RSRLJUASQLNVCU-QMMMGPOBSA-N 0 0 156.225 1.328 10 0 ADAERN CCCc1nc(CNOCC)no1 308248644 573050346 /nfs/dbraw/zinc/05/03/46/573050346.db2.gz ZTSUXJYPNRZNPT-UHFFFAOYSA-N 0 0 185.227 1.063 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CCOC1 82456596 573050397 /nfs/dbraw/zinc/05/03/97/573050397.db2.gz RICPVQRRECPNMQ-JGVFFNPUSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1ccn(C)n1 714624391 573050408 /nfs/dbraw/zinc/05/04/08/573050408.db2.gz RHBMFNDTHJWRJE-WPRPVWTQSA-N 0 0 179.267 1.878 10 0 ADAERN O=C(C1CC1)[C@H]1CCOC1 82456451 573050430 /nfs/dbraw/zinc/05/04/30/573050430.db2.gz YOZUBNXYCIMDLK-ZETCQYMHSA-N 0 0 140.182 1.002 10 0 ADAERN CCOc1ccnc2c1CCC[C@@H]2O 114026775 573050441 /nfs/dbraw/zinc/05/04/41/573050441.db2.gz BNEQGTADIOLQRV-VIFPVBQESA-N 0 0 193.246 1.850 10 0 ADAERN C=COC[C@@H]1CCCO1 85503370 573050446 /nfs/dbraw/zinc/05/04/46/573050446.db2.gz UIUSRIAANRCPGF-ZETCQYMHSA-N 0 0 128.171 1.326 10 0 ADAERN CC1(C)C(=O)C[C@@H]1OCC(F)(F)F 85504447 573050453 /nfs/dbraw/zinc/05/04/53/573050453.db2.gz SEVMKOFKRZIBEL-LURJTMIESA-N 0 0 196.168 1.933 10 0 ADAERN CCCC[C@H](O)C(=O)N1CCCC1 308248722 573050469 /nfs/dbraw/zinc/05/04/69/573050469.db2.gz ZYIOZLBIKJPKLO-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN Cc1ccc(N(C)C)c(C)c1N 114042355 573050472 /nfs/dbraw/zinc/05/04/72/573050472.db2.gz ICZPOMBZKROYIH-UHFFFAOYSA-N 0 0 164.252 1.952 10 0 ADAERN O[C@H](c1cccc(F)c1)[C@H]1CCOC1 82456535 573050482 /nfs/dbraw/zinc/05/04/82/573050482.db2.gz SDFHSNWVSLSTAG-GXSJLCMTSA-N 0 0 196.221 1.896 10 0 ADAERN FC(F)(F)[C@@H]1CSCCN1 85500971 573050519 /nfs/dbraw/zinc/05/05/19/573050519.db2.gz FRNNPEYRAMUYBE-BYPYZUCNSA-N 0 0 171.187 1.254 10 0 ADAERN C[C@@](O)(c1cccs1)[C@H]1CCOC1 82456270 573050521 /nfs/dbraw/zinc/05/05/21/573050521.db2.gz QFPSWGCUDZBRBA-WPRPVWTQSA-N 0 0 198.287 1.992 10 0 ADAERN CC/C=C/C(=O)N(C)[C@@H]1CCSC1 308249736 573050528 /nfs/dbraw/zinc/05/05/28/573050528.db2.gz ARFSURAMKKXTPH-XNPJLODASA-N 0 0 199.319 1.917 10 0 ADAERN C[C@H](OC(=O)c1cn[nH]c1)C1CC1 308249304 573050537 /nfs/dbraw/zinc/05/05/37/573050537.db2.gz GVJFVESQFRTUHO-LURJTMIESA-N 0 0 180.207 1.365 10 0 ADAERN O=Cc1c(Cl)ncnc1NC1CC1 85502781 573050546 /nfs/dbraw/zinc/05/05/46/573050546.db2.gz JEVIAAKEQXUYNL-UHFFFAOYSA-N 0 0 197.625 1.517 10 0 ADAERN Cc1ccc(N)c(OCC2CC2)n1 88035787 573050588 /nfs/dbraw/zinc/05/05/88/573050588.db2.gz WSQXQRFBWLMLIG-UHFFFAOYSA-N 0 0 178.235 1.761 10 0 ADAERN O[C@@H](C1CCCC1)[C@H]1CCOC1 82456612 573050589 /nfs/dbraw/zinc/05/05/89/573050589.db2.gz AERKLVXEDXRLRO-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN CCc1nc2ccc(C)nc2[nH]1 88037521 573050596 /nfs/dbraw/zinc/05/05/96/573050596.db2.gz YSRMXVKLHBQRRI-UHFFFAOYSA-N 0 0 161.208 1.829 10 0 ADAERN CC[C@](O)(C(C)C)[C@@H]1CCOC1 82456240 573050723 /nfs/dbraw/zinc/05/07/23/573050723.db2.gz DSTIHHXLHQBBTC-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)=CC[NH2+]CC1=COCCO1 308249926 573050846 /nfs/dbraw/zinc/05/08/46/573050846.db2.gz DWRMPMBCGKKHKI-UHFFFAOYSA-N 0 0 183.251 1.430 10 0 ADAERN CO[C@@H]1CC(=O)C12CCCCC2 85504475 573050616 /nfs/dbraw/zinc/05/06/16/573050616.db2.gz QLKJFVYOEYSRQU-SECBINFHSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1nc2c(F)cccc2c(=O)[nH]1 114025302 573050621 /nfs/dbraw/zinc/05/06/21/573050621.db2.gz BQOQWCHJNDCGLQ-UHFFFAOYSA-N 0 0 178.166 1.371 10 0 ADAERN Cc1cnc([C@H]2CCCCC[NH2+]2)cn1 88040182 573050624 /nfs/dbraw/zinc/05/06/24/573050624.db2.gz ITONPYVRMOCGBH-SNVBAGLBSA-N 0 0 191.278 1.990 10 0 ADAERN Nc1cccc(SO)c1 104592685 573050627 /nfs/dbraw/zinc/05/06/27/573050627.db2.gz DQXDHKDHSXNPIL-UHFFFAOYSA-N 0 0 141.195 1.834 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CCOC1 82456452 573050646 /nfs/dbraw/zinc/05/06/46/573050646.db2.gz KUEGIVIDESWERV-SSDOTTSWSA-N 0 0 156.225 1.638 10 0 ADAERN Cc1ccc(N)c(SC2COC2)n1 88036050 573050753 /nfs/dbraw/zinc/05/07/53/573050753.db2.gz WDXKSZQMWJWPMU-UHFFFAOYSA-N 0 0 196.275 1.463 10 0 ADAERN C[C@H]1CCCN1c1cncc(N)n1 85502255 573050762 /nfs/dbraw/zinc/05/07/62/573050762.db2.gz MGGHUZIHJQTOAD-ZETCQYMHSA-N 0 0 178.239 1.048 10 0 ADAERN O[C@H](c1ccccn1)[C@H]1CCOC1 82456543 573050779 /nfs/dbraw/zinc/05/07/79/573050779.db2.gz ZICOVMJQOOMICI-WPRPVWTQSA-N 0 0 179.219 1.152 10 0 ADAERN CC[C@@](O)(C(C)C)[C@H]1CCOC1 82456243 573050785 /nfs/dbraw/zinc/05/07/85/573050785.db2.gz DSTIHHXLHQBBTC-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN COC(C)(C)c1cccc(CO)n1 114049226 573050791 /nfs/dbraw/zinc/05/07/91/573050791.db2.gz 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JNSVXDSNPHAIMR-UHFFFAOYSA-N 0 0 198.243 1.612 10 0 ADAERN OCc1cccc2nscc12 114060679 573050893 /nfs/dbraw/zinc/05/08/93/573050893.db2.gz ZSGIWLMRBDWCLU-UHFFFAOYSA-N 0 0 165.217 1.789 10 0 ADAERN CC(C)[C@@H](O)[C@H]1CCOC1 82456571 573050900 /nfs/dbraw/zinc/05/09/00/573050900.db2.gz QSCDSXYUPHYZNR-JGVFFNPUSA-N 0 0 144.214 1.040 10 0 ADAERN CC(=O)[C@@H]1CN(C)c2cccc(O)c21 257937583 573050901 /nfs/dbraw/zinc/05/09/01/573050901.db2.gz DFLFSRGPIXLOBP-QMMMGPOBSA-N 0 0 191.230 1.515 10 0 ADAERN CC(C)(O)CC/C=C\CO 224631580 573050914 /nfs/dbraw/zinc/05/09/14/573050914.db2.gz VQWBBQOGTJFNBX-HYXAFXHYSA-N 0 0 144.214 1.086 10 0 ADAERN O[C@@H](Cc1ccncc1)[C@@H]1CCOC1 82456668 573050943 /nfs/dbraw/zinc/05/09/43/573050943.db2.gz XLEZVHQHVFEYFZ-MNOVXSKESA-N 0 0 193.246 1.022 10 0 ADAERN Cc1cccc([C@H](O)[C@H]2CCOC2)n1 82456734 573050961 /nfs/dbraw/zinc/05/09/61/573050961.db2.gz SJCMOCQPDFBRRE-GXSJLCMTSA-N 0 0 193.246 1.460 10 0 ADAERN O=C([O-])[C@H]1CCC[NH2+][C@@H]1C1CCC1 257937266 573051003 /nfs/dbraw/zinc/05/10/03/573051003.db2.gz ULTPBADCLDTMSS-DTWKUNHWSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1ccc(N)c(O[C@@H]2CCOC2)n1 88035860 573050989 /nfs/dbraw/zinc/05/09/89/573050989.db2.gz QLQSHJOXARTQHP-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN CO[C@H]1CC(=O)C12CCCC2 85504459 573051012 /nfs/dbraw/zinc/05/10/12/573051012.db2.gz XYXQTHMABYYPHU-QMMMGPOBSA-N 0 0 154.209 1.535 10 0 ADAERN C[C@@H]1C[C@H](CO)Nc2ccccc21 114026530 573051028 /nfs/dbraw/zinc/05/10/28/573051028.db2.gz SHXIUJQCYWUJQQ-RKDXNWHRSA-N 0 0 177.247 1.967 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@H]1C1CCC1 257937265 573051078 /nfs/dbraw/zinc/05/10/78/573051078.db2.gz ULTPBADCLDTMSS-BDAKNGLRSA-N 0 0 183.251 1.239 10 0 ADAERN C=COC1CCOCC1 85503586 573051057 /nfs/dbraw/zinc/05/10/57/573051057.db2.gz RMMLYPVKWDREEV-UHFFFAOYSA-N 0 0 128.171 1.326 10 0 ADAERN OCCc1ccccc1C1COC1 257933083 573051059 /nfs/dbraw/zinc/05/10/59/573051059.db2.gz BXKHMYXMAUNXCF-UHFFFAOYSA-N 0 0 178.231 1.335 10 0 ADAERN O[C@H](c1ccsc1)[C@@H]1CCOC1 82456553 573051061 /nfs/dbraw/zinc/05/10/61/573051061.db2.gz FETUPQOFINUBQJ-APPZFPTMSA-N 0 0 184.260 1.818 10 0 ADAERN COc1c(C)ccc(CCO)c1C 257936760 573051067 /nfs/dbraw/zinc/05/10/67/573051067.db2.gz CKJDVXVGUOPQJT-UHFFFAOYSA-N 0 0 180.247 1.847 10 0 ADAERN CCC=C(C)C(=O)Nc1ncc[nH]1 82457585 573051072 /nfs/dbraw/zinc/05/10/72/573051072.db2.gz XWJMMQIJRUMHBT-DAXSKMNVSA-N 0 0 179.223 1.126 10 0 ADAERN Cc1cccnc1[C@@H](O)[C@H]1CCOC1 82456643 573051108 /nfs/dbraw/zinc/05/11/08/573051108.db2.gz VMAGRRQBOVBIOB-ONGXEEELSA-N 0 0 193.246 1.460 10 0 ADAERN CC(C)COC(=O)Nc1ncc[nH]1 82457670 573051115 /nfs/dbraw/zinc/05/11/15/573051115.db2.gz VHBDBWBLQKISLW-UHFFFAOYSA-N 0 0 183.211 1.036 10 0 ADAERN CC[C@H](C)[C@@](C)(O)[C@@H]1CCOC1 82456239 573051159 /nfs/dbraw/zinc/05/11/59/573051159.db2.gz XCPFCLVNUPUITN-IVZWLZJFSA-N 0 0 172.268 1.820 10 0 ADAERN C/C=C/CC/C=C/CO 114039370 573051169 /nfs/dbraw/zinc/05/11/69/573051169.db2.gz ONYJRUXYOCZIAW-BLWKUPHCSA-N 0 0 126.199 1.891 10 0 ADAERN O=C1CC(Oc2ccccc2F)C1 85503908 573051170 /nfs/dbraw/zinc/05/11/70/573051170.db2.gz PLLJVYNKVUUYJT-UHFFFAOYSA-N 0 0 180.178 1.936 10 0 ADAERN Nc1ccc(O[C@@H]2CCOC2)cc1F 82456063 573051171 /nfs/dbraw/zinc/05/11/71/573051171.db2.gz PRVMYDRISITNMI-MRVPVSSYSA-N 0 0 197.209 1.576 10 0 ADAERN Cc1ccc2c([nH+]1)N[C@@H](C)CN2 88036964 573051174 /nfs/dbraw/zinc/05/11/74/573051174.db2.gz KBQPABLJNNLNHC-ZETCQYMHSA-N 0 0 163.224 1.616 10 0 ADAERN C[C@](O)(c1cccs1)[C@@H]1CCOC1 82456269 573051190 /nfs/dbraw/zinc/05/11/90/573051190.db2.gz QFPSWGCUDZBRBA-PSASIEDQSA-N 0 0 198.287 1.992 10 0 ADAERN CO[C@@H](C)CC(=O)N[C@@H](C)C1CC1 308248892 573051192 /nfs/dbraw/zinc/05/11/92/573051192.db2.gz DIDRHEBYERSJNA-YUMQZZPRSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1ccc2nc(C(C)(C)O)[nH]c2n1 88037526 573051237 /nfs/dbraw/zinc/05/12/37/573051237.db2.gz AOAOBIDCFZTQNE-UHFFFAOYSA-N 0 0 191.234 1.494 10 0 ADAERN CCOC(=O)[C@@H](NC)C1(C)CCC1 686133869 573051202 /nfs/dbraw/zinc/05/12/02/573051202.db2.gz OZDGOUGMABCDAD-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CC[C@@H](C)CC(=O)CC(=O)OC 238262154 573053243 /nfs/dbraw/zinc/05/32/43/573053243.db2.gz UEVHBWUXMMVBMV-SSDOTTSWSA-N 0 0 172.224 1.555 10 0 ADAERN O=C1CCC[C@@H]1[C@H]1CCOC1 82457362 573051950 /nfs/dbraw/zinc/05/19/50/573051950.db2.gz ADEYPGQOHRMZNF-JGVFFNPUSA-N 0 0 154.209 1.392 10 0 ADAERN COCCC(=O)N[C@@H](C)CC1CC1 308249053 573051961 /nfs/dbraw/zinc/05/19/61/573051961.db2.gz DKHAVWOKILMOOS-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@@H](O)C(F)(F)[C@@H]1CCCOC1 257937276 573055889 /nfs/dbraw/zinc/05/58/89/573055889.db2.gz ULVWDYCHNSQLMW-RNFRBKRXSA-N 0 0 180.194 1.429 10 0 ADAERN OC1([C@H]2CCOC2)CCCCC1 82456131 573051977 /nfs/dbraw/zinc/05/19/77/573051977.db2.gz KQOIQJVHBKXVLF-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN CC(C)C[C@](C)(O)C(F)(F)CN 257937314 573051978 /nfs/dbraw/zinc/05/19/78/573051978.db2.gz UMMUJXRODXLESI-ZETCQYMHSA-N 0 0 181.226 1.378 10 0 ADAERN CC[PH+](CC)CCC(=O)[O-] 238262022 573052039 /nfs/dbraw/zinc/05/20/39/573052039.db2.gz XQKCXDVVYUVRHU-UHFFFAOYSA-N 0 0 162.169 1.983 10 0 ADAERN O[C@@H](C1CCCC1)[C@@H]1CCOC1 82456610 573052024 /nfs/dbraw/zinc/05/20/24/573052024.db2.gz AERKLVXEDXRLRO-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1ccc2nc([C@H](C)O)[nH]c2n1 88037497 573052029 /nfs/dbraw/zinc/05/20/29/573052029.db2.gz QHMYVRCMCRNWDP-LURJTMIESA-N 0 0 177.207 1.320 10 0 ADAERN Cc1cccnc1[C@@H](O)[C@@H]1CCOC1 82456641 573052047 /nfs/dbraw/zinc/05/20/47/573052047.db2.gz VMAGRRQBOVBIOB-KOLCDFICSA-N 0 0 193.246 1.460 10 0 ADAERN O[C@@H](c1ccco1)[C@@H]1CCOC1 82456680 573052064 /nfs/dbraw/zinc/05/20/64/573052064.db2.gz AMEQMSSSXPEKPB-VXNVDRBHSA-N 0 0 168.192 1.350 10 0 ADAERN Cc1cccc(C(=O)[C@H]2CCOC2)n1 82456515 573052072 /nfs/dbraw/zinc/05/20/72/573052072.db2.gz LGMNMUVOYBHDRM-VIFPVBQESA-N 0 0 191.230 1.609 10 0 ADAERN c1c([C@@H]2CCC[NH2+]2)noc1C1CC1 88039717 573052104 /nfs/dbraw/zinc/05/21/04/573052104.db2.gz WSQPSQWYENAPEC-QMMMGPOBSA-N 0 0 178.235 1.977 10 0 ADAERN O[C@@H](c1ccco1)[C@H]1CCOC1 82456682 573052078 /nfs/dbraw/zinc/05/20/78/573052078.db2.gz AMEQMSSSXPEKPB-IONNQARKSA-N 0 0 168.192 1.350 10 0 ADAERN COc1ccccc1OC1CC(=O)C1 85504174 573052100 /nfs/dbraw/zinc/05/21/00/573052100.db2.gz ODSBUFPMFIMVKI-UHFFFAOYSA-N 0 0 192.214 1.806 10 0 ADAERN O[C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 82457345 573052101 /nfs/dbraw/zinc/05/21/01/573052101.db2.gz MQWDEADNWXQDPQ-OPRDCNLKSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@@]1(C)C(=O)C[C@H]1OC 85504463 573052181 /nfs/dbraw/zinc/05/21/81/573052181.db2.gz AVHIGJOBLJJWIZ-SFYZADRCSA-N 0 0 142.198 1.391 10 0 ADAERN CCC[C@@H](O)c1ncccc1O 238262133 573052163 /nfs/dbraw/zinc/05/21/63/573052163.db2.gz CXLBILQEUPTKJN-SSDOTTSWSA-N 0 0 167.208 1.621 10 0 ADAERN CC/C=C\CCC(N)=O 104592713 573052173 /nfs/dbraw/zinc/05/21/73/573052173.db2.gz RNSYHSGXTXFEKA-ARJAWSKDSA-N 0 0 127.187 1.218 10 0 ADAERN [NH3+][C@@H](CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-] 714806023 573052197 /nfs/dbraw/zinc/05/21/97/573052197.db2.gz BGDVGENNZGVMHP-VGMNWLOBSA-N 0 0 183.251 1.225 10 0 ADAERN CCC[C@@]1(CC)C[NH2+]C[C@@H]1C(=O)[O-] 233317768 573052207 /nfs/dbraw/zinc/05/22/07/573052207.db2.gz RRQPZRKOZNLOOS-SCZZXKLOSA-N 0 0 185.267 1.487 10 0 ADAERN CCN1C[C@H](c2ccc(C)o2)NC1=O 259599230 573052209 /nfs/dbraw/zinc/05/22/09/573052209.db2.gz WOSJRWVETANDQX-MRVPVSSYSA-N 0 0 194.234 1.674 10 0 ADAERN Cc1cnn(-c2nc(C)ccc2N)c1 88035684 573052214 /nfs/dbraw/zinc/05/22/14/573052214.db2.gz ASKTXCRPIBEFTF-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC(C)CC(=O)[C@@H]1CCOC1 82456438 573052240 /nfs/dbraw/zinc/05/22/40/573052240.db2.gz CVWZZXRDQAGMGB-MRVPVSSYSA-N 0 0 156.225 1.638 10 0 ADAERN CCC[C@@H](C)[C@H](O)OC 238260024 573052243 /nfs/dbraw/zinc/05/22/43/573052243.db2.gz IROXSCLXGHSDEP-RNFRBKRXSA-N 0 0 132.203 1.387 10 0 ADAERN OCc1ccc(C2OCCO2)c(F)c1 113991691 573052246 /nfs/dbraw/zinc/05/22/46/573052246.db2.gz CMVMVIIUUDFNSZ-UHFFFAOYSA-N 0 0 198.193 1.363 10 0 ADAERN CCC(=O)NCC[C@@H](O)c1ccco1 77110516 573052251 /nfs/dbraw/zinc/05/22/51/573052251.db2.gz RYJAFRSTGXZMIA-MRVPVSSYSA-N 0 0 197.234 1.229 10 0 ADAERN CCCNC(=O)/C=C\c1cc[nH]c1 308248715 573052811 /nfs/dbraw/zinc/05/28/11/573052811.db2.gz ZXYQQHCVORITDW-ARJAWSKDSA-N 0 0 178.235 1.554 10 0 ADAERN CC1(C)C(=O)C[C@@H]1OC[C@@H]1CCCO1 85505035 573052284 /nfs/dbraw/zinc/05/22/84/573052284.db2.gz CDLTUVUGPWGECF-WPRPVWTQSA-N 0 0 198.262 1.550 10 0 ADAERN CC(C)=C(F)C(=O)N[C@H](C)CCO 308249336 573052820 /nfs/dbraw/zinc/05/28/20/573052820.db2.gz GWSVOWWHJQJHSH-SSDOTTSWSA-N 0 0 189.230 1.137 10 0 ADAERN C[C@@H]1CN(c2cncc(N)n2)C[C@H]1C 85502233 573052300 /nfs/dbraw/zinc/05/23/00/573052300.db2.gz OUHRSPQJNKUCDR-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN O[C@@H](Cc1cccnc1)[C@H]1CCOC1 82456666 573052303 /nfs/dbraw/zinc/05/23/03/573052303.db2.gz CNTROQFGMLCSCU-QWRGUYRKSA-N 0 0 193.246 1.022 10 0 ADAERN O=Cc1ccc(C2OCCO2)c(F)c1 113992982 573052305 /nfs/dbraw/zinc/05/23/05/573052305.db2.gz CJJLTNMJCDYLMJ-UHFFFAOYSA-N 0 0 196.177 1.684 10 0 ADAERN Nc1cccc2c1ccn2O 104592989 573052315 /nfs/dbraw/zinc/05/23/15/573052315.db2.gz VTNDDMVWIOELEW-UHFFFAOYSA-N 0 0 148.165 1.461 10 0 ADAERN CC(C)CC(=O)[C@H]1CCOC1 82456439 573052320 /nfs/dbraw/zinc/05/23/20/573052320.db2.gz CVWZZXRDQAGMGB-QMMMGPOBSA-N 0 0 156.225 1.638 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H]1CCOC1 82456595 573052329 /nfs/dbraw/zinc/05/23/29/573052329.db2.gz RICPVQRRECPNMQ-SFYZADRCSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@@H](CO)c1ccc2[nH]cnc2c1 257936624 573052335 /nfs/dbraw/zinc/05/23/35/573052335.db2.gz CIKOGYBRJAHBJV-ZETCQYMHSA-N 0 0 176.219 1.659 10 0 ADAERN C[C@H](O)C(F)(F)[C@@H]1CCCOC1 257937275 573052825 /nfs/dbraw/zinc/05/28/25/573052825.db2.gz ULVWDYCHNSQLMW-NKWVEPMBSA-N 0 0 180.194 1.429 10 0 ADAERN Cc1cccnc1[C@H](O)[C@H]1CCOC1 82456642 573052348 /nfs/dbraw/zinc/05/23/48/573052348.db2.gz VMAGRRQBOVBIOB-GXSJLCMTSA-N 0 0 193.246 1.460 10 0 ADAERN CCOC(=O)c1cnc(F)cc1C 238273905 573052352 /nfs/dbraw/zinc/05/23/52/573052352.db2.gz GGMJHSRJTWCYFB-UHFFFAOYSA-N 0 0 183.182 1.706 10 0 ADAERN O[C@@H]1CCCC[C@H]1[C@@H]1CCOC1 82457343 573052357 /nfs/dbraw/zinc/05/23/57/573052357.db2.gz MQWDEADNWXQDPQ-KXUCPTDWSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@@H](c1cccc(F)c1)[C@@H]1CCOC1 82456532 573052366 /nfs/dbraw/zinc/05/23/66/573052366.db2.gz SDFHSNWVSLSTAG-KOLCDFICSA-N 0 0 196.221 1.896 10 0 ADAERN C[C@H]1C[C@@H](CO)Nc2ccccc21 114026527 573052369 /nfs/dbraw/zinc/05/23/69/573052369.db2.gz SHXIUJQCYWUJQQ-IUCAKERBSA-N 0 0 177.247 1.967 10 0 ADAERN CCCNc1ncnc(Cl)c1C=O 85502775 573052371 /nfs/dbraw/zinc/05/23/71/573052371.db2.gz WCGJWPUMAFPSDI-UHFFFAOYSA-N 0 0 199.641 1.764 10 0 ADAERN CC(C)C[C@H](O)[C@@H]1CCOC1 82456564 573052375 /nfs/dbraw/zinc/05/23/75/573052375.db2.gz UHXVBOZQKQXPCZ-BDAKNGLRSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@]1(COc2cncc(Cl)c2)CO1 85501970 573052382 /nfs/dbraw/zinc/05/23/82/573052382.db2.gz XTSBBTQSQUUBFC-VIFPVBQESA-N 0 0 199.637 1.903 10 0 ADAERN CC[C@@](C)(O)[C@H]1CCOC1 82456207 573052383 /nfs/dbraw/zinc/05/23/83/573052383.db2.gz XJFTUPXPABSSTO-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN CCNC(=O)c1n[nH]c(C)c1Cl 238259903 573052393 /nfs/dbraw/zinc/05/23/93/573052393.db2.gz VHPRMZCJBZVOOV-UHFFFAOYSA-N 0 0 187.630 1.121 10 0 ADAERN C[C@@H]1Oc2cc(C=O)ccc2NC1=O 114042123 573052406 /nfs/dbraw/zinc/05/24/06/573052406.db2.gz WKSAFQBJHNJQHB-LURJTMIESA-N 0 0 191.186 1.219 10 0 ADAERN O=C(C[C@H]1CCCO1)[C@H]1CCOC1 82456436 573052494 /nfs/dbraw/zinc/05/24/94/573052494.db2.gz JFLNXUXPUWQXRW-DTWKUNHWSA-N 0 0 184.235 1.161 10 0 ADAERN CCCC(=O)[C@@H]1CCOC1 82456448 573052501 /nfs/dbraw/zinc/05/25/01/573052501.db2.gz NTMKNMDPPQYROY-SSDOTTSWSA-N 0 0 142.198 1.392 10 0 ADAERN CC[C@]1(C)C(=O)C[C@@H]1OC 85504472 573052506 /nfs/dbraw/zinc/05/25/06/573052506.db2.gz AVHIGJOBLJJWIZ-JGVFFNPUSA-N 0 0 142.198 1.391 10 0 ADAERN Cn1cc2c(CO)ccc(Cl)c2n1 114060089 573052533 /nfs/dbraw/zinc/05/25/33/573052533.db2.gz NNXTVGJHFVBKRJ-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN CC[C@@H](C)NC(=O)N(CC)C1CC1 308250138 573052542 /nfs/dbraw/zinc/05/25/42/573052542.db2.gz AQFWMFJTCDMXPD-MRVPVSSYSA-N 0 0 184.283 1.979 10 0 ADAERN CC(C)(C)Cn1[n-]cc(C[NH3+])c1=O 257938029 573052547 /nfs/dbraw/zinc/05/25/47/573052547.db2.gz KNIAHFYZQOOWSL-UHFFFAOYSA-N 0 0 183.255 1.094 10 0 ADAERN C[C@@H]1CCCN1c1cncc(N)n1 85502254 573052556 /nfs/dbraw/zinc/05/25/56/573052556.db2.gz MGGHUZIHJQTOAD-SSDOTTSWSA-N 0 0 178.239 1.048 10 0 ADAERN CCn1cc2c(C=O)cccc2n1 114060650 573052557 /nfs/dbraw/zinc/05/25/57/573052557.db2.gz IENUMIAYHBEYLU-UHFFFAOYSA-N 0 0 174.203 1.869 10 0 ADAERN CCn1ncnc1[C@H](O)CC1CCC1 308487358 573052589 /nfs/dbraw/zinc/05/25/89/573052589.db2.gz PJKBOWTUDZKCJT-SECBINFHSA-N 0 0 195.266 1.522 10 0 ADAERN CCn1cc2c(CO)cccc2n1 114060149 573052837 /nfs/dbraw/zinc/05/28/37/573052837.db2.gz SCTWCKGVMVGRBV-UHFFFAOYSA-N 0 0 176.219 1.549 10 0 ADAERN COC(=O)NCC[C@H](O)c1ccco1 77110518 573052630 /nfs/dbraw/zinc/05/26/30/573052630.db2.gz BFAVWIJWDYOSST-ZETCQYMHSA-N 0 0 199.206 1.059 10 0 ADAERN O=C([O-])C1([NH+]2CC3(CCC3)C2)CCC1 88049457 573052841 /nfs/dbraw/zinc/05/28/41/573052841.db2.gz YUWMWOKMTZNUCE-UHFFFAOYSA-N 0 0 195.262 1.480 10 0 ADAERN C1=COc2ccccc2N1 104592487 573052649 /nfs/dbraw/zinc/05/26/49/573052649.db2.gz QDUHQAQMOAHLRW-UHFFFAOYSA-N 0 0 133.150 1.962 10 0 ADAERN NOCc1cccc2cnoc12 257936800 573052660 /nfs/dbraw/zinc/05/26/60/573052660.db2.gz CLIHCWKDZATYIU-UHFFFAOYSA-N 0 0 164.164 1.218 10 0 ADAERN CCC[C@@H](O)c1cocn1 238262120 573052662 /nfs/dbraw/zinc/05/26/62/573052662.db2.gz KQODOFJWIYQDNN-SSDOTTSWSA-N 0 0 141.170 1.508 10 0 ADAERN CCn1nc(C=O)c2c1CCC2 257933150 573052665 /nfs/dbraw/zinc/05/26/65/573052665.db2.gz AXVGVUNDGSOTBA-UHFFFAOYSA-N 0 0 164.208 1.204 10 0 ADAERN C/C=C/COC(=O)c1cccn1C 308248904 573052670 /nfs/dbraw/zinc/05/26/70/573052670.db2.gz AHCOMRJHVATOBG-ONEGZZNKSA-N 0 0 179.219 1.758 10 0 ADAERN CC(=O)[C@H]1CN(C)c2cccc(O)c21 257937579 573052680 /nfs/dbraw/zinc/05/26/80/573052680.db2.gz DFLFSRGPIXLOBP-MRVPVSSYSA-N 0 0 191.230 1.515 10 0 ADAERN C[C@@H](O)[C@H](F)CC1CCOCC1 257937254 573052700 /nfs/dbraw/zinc/05/27/00/573052700.db2.gz ULOVSZRJLUDFGM-VXNVDRBHSA-N 0 0 176.231 1.522 10 0 ADAERN CCNC(=O)c1ncsc1C 238260281 573052709 /nfs/dbraw/zinc/05/27/09/573052709.db2.gz OGRLENCKNNKTTH-UHFFFAOYSA-N 0 0 170.237 1.201 10 0 ADAERN C=COCCOC(C)C 85503369 573052715 /nfs/dbraw/zinc/05/27/15/573052715.db2.gz FDCACKUJOKWEKO-UHFFFAOYSA-N 0 0 130.187 1.572 10 0 ADAERN CC[C@@H](C)OC[C@H](O)COC(C)C 238260134 573052716 /nfs/dbraw/zinc/05/27/16/573052716.db2.gz SQLKFPLIWNJPAG-NXEZZACHSA-N 0 0 190.283 1.587 10 0 ADAERN CCN1CCC[C@H]1c1nc(C=O)no1 257937867 573052743 /nfs/dbraw/zinc/05/27/43/573052743.db2.gz HSWHKKFUPPWCID-ZETCQYMHSA-N 0 0 195.222 1.039 10 0 ADAERN O[C@@H]1CCCCSC1 114019332 573052750 /nfs/dbraw/zinc/05/27/50/573052750.db2.gz LCVICOLXCLJYIQ-ZCFIWIBFSA-N 0 0 132.228 1.264 10 0 ADAERN NC1(c2nc(CC3CC3)no2)CCC1 88049208 573052755 /nfs/dbraw/zinc/05/27/55/573052755.db2.gz YLRBUIZQFVBMBW-UHFFFAOYSA-N 0 0 193.250 1.360 10 0 ADAERN CCC[C@@H]1CO[C@@H](CO)C1 238273810 573052845 /nfs/dbraw/zinc/05/28/45/573052845.db2.gz IMIZPWQHTVHOMK-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN CC(=O)NCc1cccc(C=O)c1 114029450 573052780 /nfs/dbraw/zinc/05/27/80/573052780.db2.gz MZAXOGZWOLZLNU-UHFFFAOYSA-N 0 0 177.203 1.135 10 0 ADAERN CC(=O)c1ncc2cccc(O)n12 257937176 573052782 /nfs/dbraw/zinc/05/27/82/573052782.db2.gz UJTWHENMAURVRL-UHFFFAOYSA-N 0 0 176.175 1.243 10 0 ADAERN CCC[C@]1(CO)COC(C)(C)C1 238262126 573052806 /nfs/dbraw/zinc/05/28/06/573052806.db2.gz SNDCIWHTRHOWQM-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN COc1ccc(C)c(CNO)c1 257938114 573052808 /nfs/dbraw/zinc/05/28/08/573052808.db2.gz CPYPCWZNRWTXSP-UHFFFAOYSA-N 0 0 167.208 1.482 10 0 ADAERN Cc1cc(CON)cc(F)c1F 257936730 573052975 /nfs/dbraw/zinc/05/29/75/573052975.db2.gz CKBGSYSOKVGYIV-UHFFFAOYSA-N 0 0 173.162 1.664 10 0 ADAERN CC(C)/C=C\C(=O)O[C@H]1CCOC1 308249282 573052990 /nfs/dbraw/zinc/05/29/90/573052990.db2.gz GUYVLRTZDAXTPE-TYRPZCRBSA-N 0 0 184.235 1.531 10 0 ADAERN CCC[C@@H](C)[C@H]1NC(=O)SC1=O 238260232 573052999 /nfs/dbraw/zinc/05/29/99/573052999.db2.gz XMZPJQYZYILWKV-PHDIDXHHSA-N 0 0 187.264 1.774 10 0 ADAERN Cc1cccc(-c2nnn(C)n2)c1 113997554 573053000 /nfs/dbraw/zinc/05/30/00/573053000.db2.gz LJDCEAYAXOLECF-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN C[C@@H]1CCCc2[nH+]c(N)nc(N)c21 113995475 573053011 /nfs/dbraw/zinc/05/30/11/573053011.db2.gz QIMGVPQCIUVTKL-RXMQYKEDSA-N 0 0 178.239 1.081 10 0 ADAERN O=C([O-])[C@H]1CCC[NH2+][C@H]1C1CCC1 257937269 573053020 /nfs/dbraw/zinc/05/30/20/573053020.db2.gz ULTPBADCLDTMSS-IUCAKERBSA-N 0 0 183.251 1.239 10 0 ADAERN CO[C@@H](C)c1noc(C2(N)CCC2)n1 88049193 573053696 /nfs/dbraw/zinc/05/36/96/573053696.db2.gz WNJWEQGWPXQZQJ-LURJTMIESA-N 0 0 197.238 1.115 10 0 ADAERN CCOc1ccccc2[nH]c(=O)cc1-2 238260173 573053029 /nfs/dbraw/zinc/05/30/29/573053029.db2.gz LTQSFZKKWHTTGL-UHFFFAOYSA-N 0 0 189.214 1.878 10 0 ADAERN C[C@H](CCO)O[C@@H]1CCCC(=O)C1 214578043 573053034 /nfs/dbraw/zinc/05/30/34/573053034.db2.gz NRBYGQOJCDABEZ-PSASIEDQSA-N 0 0 186.251 1.286 10 0 ADAERN Clc1cccc(O[C@@H]2CCOC2)n1 82460707 573053035 /nfs/dbraw/zinc/05/30/35/573053035.db2.gz ZAVCTVPIDHLISK-SSDOTTSWSA-N 0 0 199.637 1.903 10 0 ADAERN OCc1cc2cccc3c2n1CC3 257936756 573053038 /nfs/dbraw/zinc/05/30/38/573053038.db2.gz CKFNUZJSIFSOFR-UHFFFAOYSA-N 0 0 173.215 1.690 10 0 ADAERN COc1cc(NC2CC2)c(N)cc1F 82474311 573053042 /nfs/dbraw/zinc/05/30/42/573053042.db2.gz WANSGQBJLCHHFC-UHFFFAOYSA-N 0 0 196.225 1.991 10 0 ADAERN CCOC(=O)NCCc1cc(C)no1 77122664 573053049 /nfs/dbraw/zinc/05/30/49/573053049.db2.gz IWLGVDAXPLAVKP-UHFFFAOYSA-N 0 0 198.222 1.272 10 0 ADAERN NC1(c2nc(C3CCC3)no2)CCC1 88049149 573053085 /nfs/dbraw/zinc/05/30/85/573053085.db2.gz WHWXFXXOHPNSTM-UHFFFAOYSA-N 0 0 193.250 1.675 10 0 ADAERN OCCSc1cccc(Cl)n1 82461765 573053103 /nfs/dbraw/zinc/05/31/03/573053103.db2.gz VHTMMBOCENERNP-UHFFFAOYSA-N 0 0 189.667 1.819 10 0 ADAERN c1cc(CNc2nncs2)no1 88054264 573053122 /nfs/dbraw/zinc/05/31/22/573053122.db2.gz KYQCWBNDZASDSN-UHFFFAOYSA-N 0 0 182.208 1.138 10 0 ADAERN CCOCCC(=O)OCC[C@@H](C)F 308249117 573053127 /nfs/dbraw/zinc/05/31/27/573053127.db2.gz ASENESVPTXDKGW-MRVPVSSYSA-N 0 0 192.230 1.704 10 0 ADAERN Nc1cc2cc[nH]c2cc1N 104596977 573053142 /nfs/dbraw/zinc/05/31/42/573053142.db2.gz ZDRBKGHAJBPHLK-UHFFFAOYSA-N 0 0 147.181 1.332 10 0 ADAERN C[C@@H](O)C(F)(F)[C@H]1CCCOC1 257937278 573053144 /nfs/dbraw/zinc/05/31/44/573053144.db2.gz ULVWDYCHNSQLMW-RQJHMYQMSA-N 0 0 180.194 1.429 10 0 ADAERN [NH3+][C@H](CC[C@H]1C[C@H]1C1CC1)C(=O)[O-] 714806024 573053835 /nfs/dbraw/zinc/05/38/35/573053835.db2.gz BGDVGENNZGVMHP-XHNCKOQMSA-N 0 0 183.251 1.225 10 0 ADAERN C[C@H](O)[C@H](F)CC1CCOCC1 257937252 573053158 /nfs/dbraw/zinc/05/31/58/573053158.db2.gz ULOVSZRJLUDFGM-IONNQARKSA-N 0 0 176.231 1.522 10 0 ADAERN C/C=C\COC(=O)c1cccn1C 308248896 573053175 /nfs/dbraw/zinc/05/31/75/573053175.db2.gz AHCOMRJHVATOBG-ARJAWSKDSA-N 0 0 179.219 1.758 10 0 ADAERN CCC[C@H](C)[C@H]1NC(=O)SC1=O 238259992 573053176 /nfs/dbraw/zinc/05/31/76/573053176.db2.gz XMZPJQYZYILWKV-NTSWFWBYSA-N 0 0 187.264 1.774 10 0 ADAERN COc1cc(N(C)C)c(N)cc1F 82474300 573053178 /nfs/dbraw/zinc/05/31/78/573053178.db2.gz CXEZPDRHHGCUTQ-UHFFFAOYSA-N 0 0 184.214 1.483 10 0 ADAERN CCO[C@@H]1C(=O)c2ccccc21 238261980 573053186 /nfs/dbraw/zinc/05/31/86/573053186.db2.gz UPLNQQFPHPZHFS-JTQLQIEISA-N 0 0 162.188 1.961 10 0 ADAERN COc1c(O)c(C)cc(C=O)c1F 257937141 573053191 /nfs/dbraw/zinc/05/31/91/573053191.db2.gz UITBEYZLPQVKRM-UHFFFAOYSA-N 0 0 184.166 1.661 10 0 ADAERN COc1ccc2c(c1)[C@@H](CON)CN2 257937949 573053209 /nfs/dbraw/zinc/05/32/09/573053209.db2.gz DHQUGVFMZQLOGP-SSDOTTSWSA-N 0 0 194.234 1.095 10 0 ADAERN COC(=O)C(F)(F)c1ccco1 257937294 573053427 /nfs/dbraw/zinc/05/34/27/573053427.db2.gz UMDYSPSBRSIJFW-UHFFFAOYSA-N 0 0 176.118 1.544 10 0 ADAERN CCO[C@@H]1C(=O)Cc2ccccc21 238261928 573053236 /nfs/dbraw/zinc/05/32/36/573053236.db2.gz NBPHBRZHQPAAHM-NSHDSACASA-N 0 0 176.215 1.889 10 0 ADAERN CCNc1cc(OC)c(F)cc1N 82474317 573053253 /nfs/dbraw/zinc/05/32/53/573053253.db2.gz PAIUNEJURBTHLM-UHFFFAOYSA-N 0 0 184.214 1.848 10 0 ADAERN c1cnc2c(c1)NCC1(CCC1)N2 88049899 573053257 /nfs/dbraw/zinc/05/32/57/573053257.db2.gz LHFQEAYAXRZDQP-UHFFFAOYSA-N 0 0 175.235 1.842 10 0 ADAERN C[C@H](CF)NCc1cncc(F)c1 308248970 573053286 /nfs/dbraw/zinc/05/32/86/573053286.db2.gz GUIZCPGQKPUAGM-SSDOTTSWSA-N 0 0 186.205 1.668 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@@H]1C1CCC1 257937271 573053293 /nfs/dbraw/zinc/05/32/93/573053293.db2.gz ULTPBADCLDTMSS-RKDXNWHRSA-N 0 0 183.251 1.239 10 0 ADAERN c1ccn(Cc2ccon2)c1 88054587 573053295 /nfs/dbraw/zinc/05/32/95/573053295.db2.gz SBXKDTCOKJELKP-UHFFFAOYSA-N 0 0 148.165 1.524 10 0 ADAERN CCO[C@@H]1C=CCC[C@@H]1CO 238262137 573053311 /nfs/dbraw/zinc/05/33/11/573053311.db2.gz SRYFDEKMPLIAGV-RKDXNWHRSA-N 0 0 156.225 1.350 10 0 ADAERN CCc1c(O)nc([C@H](C)CC)[nH]c1=O 82473875 573053327 /nfs/dbraw/zinc/05/33/27/573053327.db2.gz YDMLXKZKIRZBTK-ZCFIWIBFSA-N 0 0 196.250 1.551 10 0 ADAERN CCC[C@H](C)[C@](C)([NH3+])C(=O)[O-] 238260036 573053338 /nfs/dbraw/zinc/05/33/38/573053338.db2.gz SQAIKNQOZJTNDI-XPUUQOCRSA-N 0 0 159.229 1.225 10 0 ADAERN 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308248716 573054463 /nfs/dbraw/zinc/05/44/63/573054463.db2.gz ZXYQQHCVORITDW-ONEGZZNKSA-N 0 0 178.235 1.554 10 0 ADAERN Cc1cc(C)c(N(C)C)cc1N 114042591 573054466 /nfs/dbraw/zinc/05/44/66/573054466.db2.gz YIVXBHMLEQKUFR-UHFFFAOYSA-N 0 0 164.252 1.952 10 0 ADAERN Cc1ccccc1OC1CC(O)C1 85507705 573054507 /nfs/dbraw/zinc/05/45/07/573054507.db2.gz JIQZIVREAHAXSP-UHFFFAOYSA-N 0 0 178.231 1.897 10 0 ADAERN CCN1Cc2ccncc2C1=O 238273728 573054520 /nfs/dbraw/zinc/05/45/20/573054520.db2.gz MXWRVZLTJWIXQM-UHFFFAOYSA-N 0 0 162.192 1.057 10 0 ADAERN O=C1CC(OCC2CC2)C1 85505214 573054521 /nfs/dbraw/zinc/05/45/21/573054521.db2.gz QGAHWHPIVYWPNJ-UHFFFAOYSA-N 0 0 140.182 1.145 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CN1CCC(=O)C1 717084351 573054485 /nfs/dbraw/zinc/05/44/85/573054485.db2.gz QEPPLEBBDDPKFS-LLHIFLOGSA-N 0 0 193.290 1.553 10 0 ADAERN CN[C@@H](N)c1ccc2nc(C)oc2c1 259320023 573054542 /nfs/dbraw/zinc/05/45/42/573054542.db2.gz KVRFLEDVYXEMPC-SNVBAGLBSA-N 0 0 191.234 1.313 10 0 ADAERN Cc1c(O)cccc1C[C@H](C)O 257936688 573054545 /nfs/dbraw/zinc/05/45/45/573054545.db2.gz CJLCAOLPGHJPQF-ZETCQYMHSA-N 0 0 166.220 1.624 10 0 ADAERN Nc1nnsc1-c1ccccc1 114061028 573054558 /nfs/dbraw/zinc/05/45/58/573054558.db2.gz JUOLCCPPLUYATM-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN OC1CC(OCc2ccccc2F)C1 85511486 573054584 /nfs/dbraw/zinc/05/45/84/573054584.db2.gz KBFQDSQTGOZOQE-UHFFFAOYSA-N 0 0 196.221 1.866 10 0 ADAERN COc1cccc(N[C@H]2C[C@@H]2C)n1 82458396 573054591 /nfs/dbraw/zinc/05/45/91/573054591.db2.gz CKTQVQQXFDFEPW-YUMQZZPRSA-N 0 0 178.235 1.911 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc(C2(N)CCC2)n1 88049178 573054596 /nfs/dbraw/zinc/05/45/96/573054596.db2.gz ABGOGDGLACYETC-RQJHMYQMSA-N 0 0 193.250 1.531 10 0 ADAERN CC1(C)C(=O)C[C@@H]1O[C@H]1CCOC1 85506638 573055045 /nfs/dbraw/zinc/05/50/45/573055045.db2.gz LNBQWOQGABBUAH-CBAPKCEASA-N 0 0 184.235 1.160 10 0 ADAERN CC1(C)[C@@H](OC2CCC2)C[C@H]1O 85511148 573054644 /nfs/dbraw/zinc/05/46/44/573054644.db2.gz YREGALJBKDOYTF-BDAKNGLRSA-N 0 0 170.252 1.715 10 0 ADAERN CCC(C)(C)OC1CC(O)C1 85509833 573054655 /nfs/dbraw/zinc/05/46/55/573054655.db2.gz YEQIUEMUTDYZPC-UHFFFAOYSA-N 0 0 158.241 1.715 10 0 ADAERN CCN1N=C[C@H](c2ccc[nH]2)C(C)=N1 238273930 573054656 /nfs/dbraw/zinc/05/46/56/573054656.db2.gz OVISWXMAWJFMNA-VIFPVBQESA-N 0 0 190.250 1.796 10 0 ADAERN COC(=O)c1cccc(C(C)(C)O)c1 114067410 573054666 /nfs/dbraw/zinc/05/46/66/573054666.db2.gz SPSLYCVKGWUASQ-UHFFFAOYSA-N 0 0 194.230 1.701 10 0 ADAERN CC[C@@H](C)OC1CC(O)C1 85510547 573054692 /nfs/dbraw/zinc/05/46/92/573054692.db2.gz FNRZMQBHSFDQPB-JECWYVHBSA-N 0 0 144.214 1.325 10 0 ADAERN O=Cc1cc(CC2CCOCC2)[nH]n1 259318878 573054700 /nfs/dbraw/zinc/05/47/00/573054700.db2.gz RSHNDNCHIKGWAX-UHFFFAOYSA-N 0 0 194.234 1.191 10 0 ADAERN CCNC(=O)c1coc(Cl)n1 238259777 573054701 /nfs/dbraw/zinc/05/47/01/573054701.db2.gz TVIVEDSXMVYQDU-UHFFFAOYSA-N 0 0 174.587 1.078 10 0 ADAERN CCC[C@@H]1CO[C@H](CO)C1 238273858 573054710 /nfs/dbraw/zinc/05/47/10/573054710.db2.gz IMIZPWQHTVHOMK-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CCN1N=C[C@@H](c2ccc[nH]2)C(C)=N1 238273879 573054725 /nfs/dbraw/zinc/05/47/25/573054725.db2.gz OVISWXMAWJFMNA-SECBINFHSA-N 0 0 190.250 1.796 10 0 ADAERN Cc1ccccc1O[C@H](C)O 114000659 573054734 /nfs/dbraw/zinc/05/47/34/573054734.db2.gz GJWUEORLYBSRLX-MRVPVSSYSA-N 0 0 152.193 1.712 10 0 ADAERN CO[C@@H]1C[C@H](O)C12CCCC2 85508464 573054738 /nfs/dbraw/zinc/05/47/38/573054738.db2.gz XSZHCURWMJPFCF-JGVFFNPUSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@H]1CCCc2[nH+]c(N)nc(N)c21 113995477 573054739 /nfs/dbraw/zinc/05/47/39/573054739.db2.gz QIMGVPQCIUVTKL-YFKPBYRVSA-N 0 0 178.239 1.081 10 0 ADAERN CC(C)COC1CC(O)C1 85508909 573054745 /nfs/dbraw/zinc/05/47/45/573054745.db2.gz SYVQGDTYWWYRHG-UHFFFAOYSA-N 0 0 144.214 1.182 10 0 ADAERN c1nsc(NCc2ccon2)n1 88054331 573054762 /nfs/dbraw/zinc/05/47/62/573054762.db2.gz FVFNIWYZGRUSNM-UHFFFAOYSA-N 0 0 182.208 1.138 10 0 ADAERN CCOC(=O)[C@H]1CCCC(=S)N1 238262242 573054780 /nfs/dbraw/zinc/05/47/80/573054780.db2.gz XUCDHEOUISZYFT-ZCFIWIBFSA-N 0 0 187.264 1.019 10 0 ADAERN CCCOc1cc(N)c(N)cc1F 82474554 573054781 /nfs/dbraw/zinc/05/47/81/573054781.db2.gz HAHCYDUPPSQXGC-UHFFFAOYSA-N 0 0 184.214 1.779 10 0 ADAERN C[C@H]1C[C@H](CO)Nc2ccccc21 114026531 573054785 /nfs/dbraw/zinc/05/47/85/573054785.db2.gz SHXIUJQCYWUJQQ-DTWKUNHWSA-N 0 0 177.247 1.967 10 0 ADAERN CCn1ncnc1[C@@H](O)CC1CCC1 308487359 573054787 /nfs/dbraw/zinc/05/47/87/573054787.db2.gz PJKBOWTUDZKCJT-VIFPVBQESA-N 0 0 195.266 1.522 10 0 ADAERN Cc1cc(C)c(O)c(C2(O)CC2)c1 257938093 573054793 /nfs/dbraw/zinc/05/47/93/573054793.db2.gz CPRRPOZTCIBXLL-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN CC(C)c1nc(O)c(C(C)C)c(=O)[nH]1 82473845 573054800 /nfs/dbraw/zinc/05/48/00/573054800.db2.gz KTAMZRINUZZCOM-UHFFFAOYSA-N 0 0 196.250 1.722 10 0 ADAERN CC(C)(C)OC(=O)N1C(=O)C[C@H]2C[C@H]21 114054812 573054846 /nfs/dbraw/zinc/05/48/46/573054846.db2.gz APRHZCZIWPERLL-RNFRBKRXSA-N 0 0 197.234 1.542 10 0 ADAERN Cc1cc(CCNC(=O)C2CC2)on1 77122310 573054817 /nfs/dbraw/zinc/05/48/17/573054817.db2.gz AXFPPFGVONDACF-UHFFFAOYSA-N 0 0 194.234 1.052 10 0 ADAERN CCc1c(O)nc(C(C)(C)C)[nH]c1=O 82473803 573054820 /nfs/dbraw/zinc/05/48/20/573054820.db2.gz MPLKAJUSTNZUPP-UHFFFAOYSA-N 0 0 196.250 1.335 10 0 ADAERN Nc1cnoc1-c1ccc(O)cc1 257937273 573054827 /nfs/dbraw/zinc/05/48/27/573054827.db2.gz ULUWKQDFCAHDJU-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN CCCOC1CC(=O)C1 85505749 573054832 /nfs/dbraw/zinc/05/48/32/573054832.db2.gz JMIQNNOYCJIKOD-UHFFFAOYSA-N 0 0 128.171 1.145 10 0 ADAERN Cc1c(N)ccc2[nH]c(=O)oc12 114016748 573055047 /nfs/dbraw/zinc/05/50/47/573055047.db2.gz ZLAZBQYQBWYYEV-UHFFFAOYSA-N 0 0 164.164 1.012 10 0 ADAERN CCCO[C@H]1CC(=O)C1(C)C 85505789 573055029 /nfs/dbraw/zinc/05/50/29/573055029.db2.gz WIULLVQWYRIMQR-QMMMGPOBSA-N 0 0 156.225 1.781 10 0 ADAERN CCCC/C(=C/CO)OC 238260060 573055072 /nfs/dbraw/zinc/05/50/72/573055072.db2.gz SZCJNGHMFDOJHO-VURMDHGXSA-N 0 0 144.214 1.699 10 0 ADAERN CCc1c(O)nc([C@@H](C)CC)[nH]c1=O 82473874 573055077 /nfs/dbraw/zinc/05/50/77/573055077.db2.gz YDMLXKZKIRZBTK-LURJTMIESA-N 0 0 196.250 1.551 10 0 ADAERN Cc1nc2cc(CNN)ccc2o1 259319698 573055171 /nfs/dbraw/zinc/05/51/71/573055171.db2.gz KTVPJSDDRWKQQK-UHFFFAOYSA-N 0 0 177.207 1.100 10 0 ADAERN OC1CC(Oc2ccccc2F)C1 85507462 573055113 /nfs/dbraw/zinc/05/51/13/573055113.db2.gz WMSCOXCYUYGZCX-UHFFFAOYSA-N 0 0 182.194 1.728 10 0 ADAERN CCc1nc([C@@H](C)CO)cs1 257937351 573055121 /nfs/dbraw/zinc/05/51/21/573055121.db2.gz FEOOKVZXMQPZEX-LURJTMIESA-N 0 0 171.265 1.801 10 0 ADAERN O=C1CCOC[C@H]1c1ccc(F)cc1 113994766 573055136 /nfs/dbraw/zinc/05/51/36/573055136.db2.gz FJZVANJHRVKQER-JTQLQIEISA-N 0 0 194.205 1.899 10 0 ADAERN CC(C)O[C@@H]1C[C@H](O)C1(C)C 85509073 573055202 /nfs/dbraw/zinc/05/52/02/573055202.db2.gz KAJSVFIJIJVOKT-JGVFFNPUSA-N 0 0 158.241 1.571 10 0 ADAERN O=c1cc(O)nc(C2CCCC2)[nH]1 82473611 573055166 /nfs/dbraw/zinc/05/51/66/573055166.db2.gz AVMAHUGLTONSSZ-UHFFFAOYSA-N 0 0 180.207 1.133 10 0 ADAERN C[C@@H]1C[NH+]=C(NCc2ccon2)S1 88054503 573055204 /nfs/dbraw/zinc/05/52/04/573055204.db2.gz LHTFBDXKOGQBTB-ZCFIWIBFSA-N 0 0 197.263 1.256 10 0 ADAERN O=C1CC(Oc2cncc(Cl)c2)C1 85506943 573055188 /nfs/dbraw/zinc/05/51/88/573055188.db2.gz UMVGLNLPSBQZLZ-UHFFFAOYSA-N 0 0 197.621 1.845 10 0 ADAERN COc1ccccc1CCN(C)O 257937158 573055190 /nfs/dbraw/zinc/05/51/90/573055190.db2.gz UJFYLMXHGHIDDW-UHFFFAOYSA-N 0 0 181.235 1.559 10 0 ADAERN Cc1c(O)cccc1C[C@@H](C)O 257936685 573055196 /nfs/dbraw/zinc/05/51/96/573055196.db2.gz CJLCAOLPGHJPQF-SSDOTTSWSA-N 0 0 166.220 1.624 10 0 ADAERN CN1CCc2ccc(CON)cc21 257936953 573055198 /nfs/dbraw/zinc/05/51/98/573055198.db2.gz CNXMTSLQYXJVAD-UHFFFAOYSA-N 0 0 178.235 1.069 10 0 ADAERN CC(C)SC(=O)c1cc(N)on1 257937806 573055234 /nfs/dbraw/zinc/05/52/34/573055234.db2.gz QGPARALFXKPUNQ-UHFFFAOYSA-N 0 0 186.236 1.539 10 0 ADAERN CCc1nc([C@H](C)CO)cs1 257937352 573055209 /nfs/dbraw/zinc/05/52/09/573055209.db2.gz FEOOKVZXMQPZEX-ZCFIWIBFSA-N 0 0 171.265 1.801 10 0 ADAERN CCCCCn1cnnc1N 114061937 573055212 /nfs/dbraw/zinc/05/52/12/573055212.db2.gz IJZUETHPWKYUIX-UHFFFAOYSA-N 0 0 154.217 1.051 10 0 ADAERN C[C@H](Nc1cccc(Cl)n1)C(N)=O 82461010 573055242 /nfs/dbraw/zinc/05/52/42/573055242.db2.gz JFUYTHCBFWULTN-YFKPBYRVSA-N 0 0 199.641 1.021 10 0 ADAERN CC(C)[C@H](O)CO[C@@H]1CCCCO1 308239159 573055243 /nfs/dbraw/zinc/05/52/43/573055243.db2.gz XIRULCCBXKPHSE-NXEZZACHSA-N 0 0 188.267 1.547 10 0 ADAERN CCNc1cccc(OCC)n1 82458131 573055250 /nfs/dbraw/zinc/05/52/50/573055250.db2.gz YPDYLYPNCXRROD-UHFFFAOYSA-N 0 0 166.224 1.912 10 0 ADAERN O=C1CCOC[C@@H]1c1ccc(F)cc1 113994768 573055260 /nfs/dbraw/zinc/05/52/60/573055260.db2.gz FJZVANJHRVKQER-SNVBAGLBSA-N 0 0 194.205 1.899 10 0 ADAERN CC1(C)C(=O)C[C@@H]1Oc1cccnc1 85506738 573055288 /nfs/dbraw/zinc/05/52/88/573055288.db2.gz OVAMJGYMRBLRKH-JTQLQIEISA-N 0 0 191.230 1.828 10 0 ADAERN COc1cccc(OC2CC(O)C2)c1 85507411 573055296 /nfs/dbraw/zinc/05/52/96/573055296.db2.gz BPEWHALECJSULQ-UHFFFAOYSA-N 0 0 194.230 1.597 10 0 ADAERN COc1cc(N)cc(F)c1C 114022294 573055300 /nfs/dbraw/zinc/05/53/00/573055300.db2.gz KOYGBAIQOIXBMY-UHFFFAOYSA-N 0 0 155.172 1.725 10 0 ADAERN CC(=O)N[C@H](C)c1nccs1 82473446 573055303 /nfs/dbraw/zinc/05/53/03/573055303.db2.gz RIXKDKQOFCIYLX-RXMQYKEDSA-N 0 0 170.237 1.340 10 0 ADAERN OC1CC(OCC2CCCC2)C1 85512144 573055306 /nfs/dbraw/zinc/05/53/06/573055306.db2.gz CWQBBHSTRYNTNE-UHFFFAOYSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@H](C)OC1CC(=O)C1 85506023 573055315 /nfs/dbraw/zinc/05/53/15/573055315.db2.gz IQECHXJQDVQHRZ-LURJTMIESA-N 0 0 142.198 1.533 10 0 ADAERN CC(C)C[C@@](C)(O)C(F)(F)CN 257937311 573055329 /nfs/dbraw/zinc/05/53/29/573055329.db2.gz UMMUJXRODXLESI-SSDOTTSWSA-N 0 0 181.226 1.378 10 0 ADAERN CC1CCC(C(=O)NC2COC2)CC1 123522380 573055337 /nfs/dbraw/zinc/05/53/37/573055337.db2.gz ORRZZVATYHKFMD-UHFFFAOYSA-N 0 0 197.278 1.328 10 0 ADAERN Cc1c(O)ccc2c1CC(=O)N2C 257936323 573055346 /nfs/dbraw/zinc/05/53/46/573055346.db2.gz PWPMNUDDYNPXLA-UHFFFAOYSA-N 0 0 177.203 1.220 10 0 ADAERN CC1=CC[C@@H]2C[C@](C[NH3+])(CC(=O)[O-])[C@@H]12 238259549 573055360 /nfs/dbraw/zinc/05/53/60/573055360.db2.gz DNCNUNNQHLHCSN-DVVUODLYSA-N 0 0 195.262 1.392 10 0 ADAERN Cc1ccc([C@@H]2NNC(=O)[C@H]2C)cc1 224702403 573055362 /nfs/dbraw/zinc/05/53/62/573055362.db2.gz ZCZNFENSLALXJH-WCBMZHEXSA-N 0 0 190.246 1.307 10 0 ADAERN CC[C@H](C)[NH2+][C@]1(C(=O)[O-])CC[C@@H]2C[C@@H]21 308487364 573055367 /nfs/dbraw/zinc/05/53/67/573055367.db2.gz PJOIIZVBHSTISX-QCBRBAQYSA-N 0 0 197.278 1.628 10 0 ADAERN CCCO[C@H]1C[C@@H](O)C1(C)C 85510248 573055401 /nfs/dbraw/zinc/05/54/01/573055401.db2.gz BNTWMPBPQZBRRO-SFYZADRCSA-N 0 0 158.241 1.572 10 0 ADAERN NOC[C@@H]1CSc2cccc(F)c21 257937672 573055410 /nfs/dbraw/zinc/05/54/10/573055410.db2.gz DGBLTPOHDDIGGC-ZCFIWIBFSA-N 0 0 199.250 1.905 10 0 ADAERN COCCCO[C@H]1C[C@H](O)C1(C)C 85510711 573055416 /nfs/dbraw/zinc/05/54/16/573055416.db2.gz IRGBUPGMKUOVDB-IUCAKERBSA-N 0 0 188.267 1.199 10 0 ADAERN COc1ccc2c(c1)[C@H](CON)CN2 257937951 573055423 /nfs/dbraw/zinc/05/54/23/573055423.db2.gz DHQUGVFMZQLOGP-ZETCQYMHSA-N 0 0 194.234 1.095 10 0 ADAERN OC1(c2cccc3ncoc23)CC1 257936768 573055450 /nfs/dbraw/zinc/05/54/50/573055450.db2.gz CKKUNXFQMSKXIU-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1OC1CCC1 85511151 573055476 /nfs/dbraw/zinc/05/54/76/573055476.db2.gz YREGALJBKDOYTF-RKDXNWHRSA-N 0 0 170.252 1.715 10 0 ADAERN CCSCc1cc(N)ns1 257937724 573055477 /nfs/dbraw/zinc/05/54/77/573055477.db2.gz QFIMRZABITWYNP-UHFFFAOYSA-N 0 0 174.294 1.978 10 0 ADAERN NOC[C@H]1CSc2cccc(F)c21 257937668 573055480 /nfs/dbraw/zinc/05/54/80/573055480.db2.gz DGBLTPOHDDIGGC-LURJTMIESA-N 0 0 199.250 1.905 10 0 ADAERN CCC(C)(C)OC1CC(=O)C1 85505497 573055514 /nfs/dbraw/zinc/05/55/14/573055514.db2.gz GNWAPUAAYGEAOZ-UHFFFAOYSA-N 0 0 156.225 1.923 10 0 ADAERN COC(=O)[C@@]1(C)Cc2ccccc21 114066436 573055528 /nfs/dbraw/zinc/05/55/28/573055528.db2.gz JGWJYMSIMJAYCY-NSHDSACASA-N 0 0 176.215 1.673 10 0 ADAERN CC[C@H](C)Nc1ccn(CCO)n1 308241239 573055529 /nfs/dbraw/zinc/05/55/29/573055529.db2.gz SUOFVNYMOTZJCQ-QMMMGPOBSA-N 0 0 183.255 1.086 10 0 ADAERN CC[C@@]1(C)[C@@H](OC)C[C@H]1O 85508434 573055538 /nfs/dbraw/zinc/05/55/38/573055538.db2.gz BDLYDNGCBWKSPG-GJMOJQLCSA-N 0 0 144.214 1.182 10 0 ADAERN COCc1cc2c(cc1C)OCO2 259319748 573055553 /nfs/dbraw/zinc/05/55/53/573055553.db2.gz KUCFFGFGIOLEKU-UHFFFAOYSA-N 0 0 180.203 1.870 10 0 ADAERN CCC[C@@H](O)c1c[nH]c(C)n1 238262086 573055569 /nfs/dbraw/zinc/05/55/69/573055569.db2.gz PFHSGMNQOQYVOI-MRVPVSSYSA-N 0 0 154.213 1.552 10 0 ADAERN COC(=O)[C@]1(C)Cc2ccccc21 114066437 573055592 /nfs/dbraw/zinc/05/55/92/573055592.db2.gz JGWJYMSIMJAYCY-LLVKDONJSA-N 0 0 176.215 1.673 10 0 ADAERN CC(C)(C)CC[NH2+]Cc1n[nH]c(=O)[n-]1 392387685 573055594 /nfs/dbraw/zinc/05/55/94/573055594.db2.gz YOJTWUKWXYBOOB-UHFFFAOYSA-N 0 0 198.270 1.036 10 0 ADAERN CO[C@H]1CCC[C@H](OC2CC(=O)C2)C1 85506861 573055597 /nfs/dbraw/zinc/05/55/97/573055597.db2.gz LILLYTOKVWRYGC-UWVGGRQHSA-N 0 0 198.262 1.692 10 0 ADAERN Oc1ccc2c(c1)OCC=C2 114066240 573055602 /nfs/dbraw/zinc/05/56/02/573055602.db2.gz CAJAFKCGZZJSTG-UHFFFAOYSA-N 0 0 148.161 1.798 10 0 ADAERN Cn1cc2c(CO)c(F)ccc2n1 114060291 573055646 /nfs/dbraw/zinc/05/56/46/573055646.db2.gz YEBLFVJHNLEMQA-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN CSc1nn2ccc(=O)c-2c[nH]1 114012659 573055675 /nfs/dbraw/zinc/05/56/75/573055675.db2.gz VQMPNVZCEJVZAV-UHFFFAOYSA-N 0 0 181.220 1.157 10 0 ADAERN NN[C@H](CCC(F)(F)F)CC1CC1 128532367 573055680 /nfs/dbraw/zinc/05/56/80/573055680.db2.gz HDDYAYMEZQSHID-SSDOTTSWSA-N 0 0 196.216 1.961 10 0 ADAERN CC[C@H](C)c1noc(C2(N)CCC2)n1 88049141 573055689 /nfs/dbraw/zinc/05/56/89/573055689.db2.gz MVPGPQNDHLIUDW-ZETCQYMHSA-N 0 0 195.266 1.921 10 0 ADAERN CN1CCOCc2cc(N)ccc21 114009243 573055704 /nfs/dbraw/zinc/05/57/04/573055704.db2.gz RSRCWMPWTCIGGZ-UHFFFAOYSA-N 0 0 178.235 1.235 10 0 ADAERN O=Cc1cccc2ccc3nncn3c12 258231860 573055727 /nfs/dbraw/zinc/05/57/27/573055727.db2.gz ZOMFPRSTRXRQTJ-UHFFFAOYSA-N 0 0 197.197 1.695 10 0 ADAERN C[C@@H]1C[C@H]1c1noc(C2(N)CCC2)n1 88049180 573055737 /nfs/dbraw/zinc/05/57/37/573055737.db2.gz ABGOGDGLACYETC-RNFRBKRXSA-N 0 0 193.250 1.531 10 0 ADAERN CCOc1cccc(NC)n1 82458129 573055766 /nfs/dbraw/zinc/05/57/66/573055766.db2.gz CZBWFPPJNAPWKA-UHFFFAOYSA-N 0 0 152.197 1.522 10 0 ADAERN NC(=O)CCNc1cccc(Cl)n1 82461017 573055780 /nfs/dbraw/zinc/05/57/80/573055780.db2.gz SBYDNWKMGMLSBX-UHFFFAOYSA-N 0 0 199.641 1.022 10 0 ADAERN CC[N@@H+]1CC[C@@H](C(=O)[O-])C(C)(C)C1 259319330 573055782 /nfs/dbraw/zinc/05/57/82/573055782.db2.gz QTQQHHGJLSQRKW-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN CSc1ncc2ccc(C=O)n2n1 114009936 573055806 /nfs/dbraw/zinc/05/58/06/573055806.db2.gz LWYIXXCLCZQEPR-UHFFFAOYSA-N 0 0 193.231 1.264 10 0 ADAERN OCCNc1cnnc2ccccc12 82461857 573055821 /nfs/dbraw/zinc/05/58/21/573055821.db2.gz DWKVZCYASQECJI-UHFFFAOYSA-N 0 0 189.218 1.034 10 0 ADAERN CCNc1ncc(C(C)=O)s1 238259550 573055824 /nfs/dbraw/zinc/05/58/24/573055824.db2.gz HZHCMGWZPCUGSS-UHFFFAOYSA-N 0 0 170.237 1.778 10 0 ADAERN CCCO[C@@H]1C[C@@H](O)C1(C)C 85510244 573055825 /nfs/dbraw/zinc/05/58/25/573055825.db2.gz BNTWMPBPQZBRRO-HTQZYQBOSA-N 0 0 158.241 1.572 10 0 ADAERN CCC[C@@](CC)([NH2+]C1CC1)C(=O)[O-] 233318053 573055826 /nfs/dbraw/zinc/05/58/26/573055826.db2.gz RHFPMDOUIPMVFM-SNVBAGLBSA-N 0 0 185.267 1.772 10 0 ADAERN c1cc(NCc2ccon2)ncn1 88054349 573055854 /nfs/dbraw/zinc/05/58/54/573055854.db2.gz JNVAXJGKLJDCGD-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN CCO[C@@H]1C=CCC[C@H]1CO 238262165 573055867 /nfs/dbraw/zinc/05/58/67/573055867.db2.gz SRYFDEKMPLIAGV-DTWKUNHWSA-N 0 0 156.225 1.350 10 0 ADAERN CC[C@]1(C)C(=O)C[C@H]1O[C@@H]1CCOC1 85506600 573055869 /nfs/dbraw/zinc/05/58/69/573055869.db2.gz PFTVPUKBRDRUBE-FBIMIBRVSA-N 0 0 198.262 1.550 10 0 ADAERN O=Cc1cccc(C=O)c1C=O 114067136 573055885 /nfs/dbraw/zinc/05/58/85/573055885.db2.gz HULHOBUIBFPLGZ-UHFFFAOYSA-N 0 0 162.144 1.124 10 0 ADAERN CC(C)C(=O)[C@@H](O)c1ccc[nH]1 259320159 573055894 /nfs/dbraw/zinc/05/58/94/573055894.db2.gz XXYLOWIREJANSH-VIFPVBQESA-N 0 0 167.208 1.273 10 0 ADAERN CCCc1cc(CO)c(C)n1C 259319175 573055904 /nfs/dbraw/zinc/05/59/04/573055904.db2.gz TZQJXARNAFXADQ-UHFFFAOYSA-N 0 0 167.252 1.778 10 0 ADAERN Cn1cc2c(CO)ccc(F)c2n1 114061222 573055912 /nfs/dbraw/zinc/05/59/12/573055912.db2.gz PNYWFPBVNJWSJD-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN CCC[C@H](C)[C@H](O)OC 238259822 573055925 /nfs/dbraw/zinc/05/59/25/573055925.db2.gz IROXSCLXGHSDEP-NKWVEPMBSA-N 0 0 132.203 1.387 10 0 ADAERN CO[C@@H]1C[C@@H](O)C12CCCCC2 85508456 573055934 /nfs/dbraw/zinc/05/59/34/573055934.db2.gz PELIWDPMXGSOHO-RKDXNWHRSA-N 0 0 170.252 1.717 10 0 ADAERN CCOc1cc(C)c(C=O)c(O)c1 238262185 573055935 /nfs/dbraw/zinc/05/59/35/573055935.db2.gz HANCFEAWVVVMIA-UHFFFAOYSA-N 0 0 180.203 1.912 10 0 ADAERN C[C@@H](OC1CC(O)C1)C(F)(F)F 85512090 573055944 /nfs/dbraw/zinc/05/59/44/573055944.db2.gz QWECSXQVXOFAHU-IISSFJTQSA-N 0 0 184.157 1.477 10 0 ADAERN CCSCC(=O)c1ncnn1CC 308239666 573055950 /nfs/dbraw/zinc/05/59/50/573055950.db2.gz XPPWZGMMHSWWMH-UHFFFAOYSA-N 0 0 199.279 1.234 10 0 ADAERN CNOCCOc1cccc(C)c1 257938090 573056310 /nfs/dbraw/zinc/05/63/10/573056310.db2.gz LHQNKMBSXPHUOW-UHFFFAOYSA-N 0 0 181.235 1.525 10 0 ADAERN C/C=C/C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 88055811 573055984 /nfs/dbraw/zinc/05/59/84/573055984.db2.gz KKDPECBPNPQLRA-CFUOYWMPSA-N 0 0 196.294 1.161 10 0 ADAERN OCCCc1ccc2n[nH]cc2c1 257936903 573055991 /nfs/dbraw/zinc/05/59/91/573055991.db2.gz CMZPMXXWWWKNRQ-UHFFFAOYSA-N 0 0 176.219 1.488 10 0 ADAERN CC(C)(C)c1conc1N 104601321 573056045 /nfs/dbraw/zinc/05/60/45/573056045.db2.gz GWQWXJZWEMTWLH-UHFFFAOYSA-N 0 0 140.186 1.554 10 0 ADAERN Cc1cc2ccc(N)cc2oc1=O 114045464 573056055 /nfs/dbraw/zinc/05/60/55/573056055.db2.gz HRNOIAOFVVUYJU-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN c1cnc2c(c1)cc1n2CCC1 141880916 573056005 /nfs/dbraw/zinc/05/60/05/573056005.db2.gz WDXTYJSWJDHNJM-UHFFFAOYSA-N 0 0 158.204 1.983 10 0 ADAERN CCC(=O)NC(=O)[C@H](C)CC 238259928 573056090 /nfs/dbraw/zinc/05/60/90/573056090.db2.gz SAAIFKJDTJLZIQ-ZCFIWIBFSA-N 0 0 157.213 1.085 10 0 ADAERN C[C@H]1C[C@H]1c1noc(C2(N)CCC2)n1 88049181 573056092 /nfs/dbraw/zinc/05/60/92/573056092.db2.gz ABGOGDGLACYETC-NKWVEPMBSA-N 0 0 193.250 1.531 10 0 ADAERN C[C@@H](Nc1cccc(Cl)n1)C(N)=O 82461012 573056097 /nfs/dbraw/zinc/05/60/97/573056097.db2.gz JFUYTHCBFWULTN-RXMQYKEDSA-N 0 0 199.641 1.021 10 0 ADAERN CC1=CC[C@H](O)[C@H]2OC(C)(C)O[C@@H]12 238260221 573056101 /nfs/dbraw/zinc/05/61/01/573056101.db2.gz COPUCHSMEGAZQR-XHNCKOQMSA-N 0 0 184.235 1.217 10 0 ADAERN COc1cc2c(cc1OC)CNC=C2 114024249 573056129 /nfs/dbraw/zinc/05/61/29/573056129.db2.gz HCDKDNBKLWISEB-UHFFFAOYSA-N 0 0 191.230 1.778 10 0 ADAERN CCN(OC)C(=O)[C@H]1CC[C@@H](F)C1 308240323 573056134 /nfs/dbraw/zinc/05/61/34/573056134.db2.gz SKTUBUPJFAILAA-JGVFFNPUSA-N 0 0 189.230 1.535 10 0 ADAERN CCOC(=O)[C@H](NC)C1(C)CCC1 686133871 573056180 /nfs/dbraw/zinc/05/61/80/573056180.db2.gz OZDGOUGMABCDAD-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CC(=O)c1ccccc1NN 114016831 573056203 /nfs/dbraw/zinc/05/62/03/573056203.db2.gz FZKMNRPTDUFPHP-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN CCCn1cc(C)c(=O)[nH]c1=S 238260041 573056211 /nfs/dbraw/zinc/05/62/11/573056211.db2.gz GWMWCEHIXLPEIW-UHFFFAOYSA-N 0 0 184.264 1.624 10 0 ADAERN OC1CC(OC[C@H]2CCCCO2)C1 85509089 573056246 /nfs/dbraw/zinc/05/62/46/573056246.db2.gz WMWOAVCBEJKDMP-HWOCKDDLSA-N 0 0 186.251 1.095 10 0 ADAERN Nc1oncc1COc1ccccc1 257937797 573056302 /nfs/dbraw/zinc/05/63/02/573056302.db2.gz QGOBJHFDZWUHMA-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN C[C@@H]1CC(=O)O[C@@H](CCCCO)C1 308240806 573056265 /nfs/dbraw/zinc/05/62/65/573056265.db2.gz YDPDETOWMOUQJN-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN CCO[C@@H](C)C(=O)CCCCOC 308241638 573056281 /nfs/dbraw/zinc/05/62/81/573056281.db2.gz YVHNNXKIXUMVLF-VIFPVBQESA-N 0 0 188.267 1.797 10 0 ADAERN OC1CC(Oc2cccc(F)c2)C1 85507940 573056388 /nfs/dbraw/zinc/05/63/88/573056388.db2.gz DFSDDERTIZBWAS-UHFFFAOYSA-N 0 0 182.194 1.728 10 0 ADAERN Cn1cc2c(/C=C/CO)cccc2n1 114060088 573056399 /nfs/dbraw/zinc/05/63/99/573056399.db2.gz WZOUVLCYOHQHPL-HWKANZROSA-N 0 0 188.230 1.579 10 0 ADAERN O=C1NCCCN1[C@@H]1C[C@@H]1C1CC1 717081876 573056405 /nfs/dbraw/zinc/05/64/05/573056405.db2.gz LOIRQLGGTGWMEB-RKDXNWHRSA-N 0 0 180.251 1.200 10 0 ADAERN OCc1cc(F)c(CO)c(F)c1F 114016825 573056413 /nfs/dbraw/zinc/05/64/13/573056413.db2.gz AIAFUBVVMIFQQX-UHFFFAOYSA-N 0 0 192.136 1.089 10 0 ADAERN CC(C)CCc1nc(O)cc(=O)[nH]1 82473663 573056415 /nfs/dbraw/zinc/05/64/15/573056415.db2.gz GRPPQBNSUQMHIU-UHFFFAOYSA-N 0 0 182.223 1.064 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1OCC(F)(F)F 85508425 573056421 /nfs/dbraw/zinc/05/64/21/573056421.db2.gz LZPBHTAFYZWJMJ-NTSWFWBYSA-N 0 0 198.184 1.725 10 0 ADAERN CC1(C)[C@@H](OCC2CC2)C[C@H]1O 85509505 573056458 /nfs/dbraw/zinc/05/64/58/573056458.db2.gz UHIJCRWUHNLMFV-BDAKNGLRSA-N 0 0 170.252 1.572 10 0 ADAERN CNc1cc(OC)c(F)cc1N 82474315 573056489 /nfs/dbraw/zinc/05/64/89/573056489.db2.gz UTNBZABNBSWKIV-UHFFFAOYSA-N 0 0 170.187 1.458 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@@H]1OC 85508438 573056491 /nfs/dbraw/zinc/05/64/91/573056491.db2.gz BDLYDNGCBWKSPG-BIIVOSGPSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@@H](C)c1nc(O)c(C)c(=O)[nH]1 82473858 573056501 /nfs/dbraw/zinc/05/65/01/573056501.db2.gz ZFZRDCQDDOKPDP-RXMQYKEDSA-N 0 0 182.223 1.297 10 0 ADAERN C[C@H]1CCC[N@@H+]1C1(C(=O)[O-])CCC1 88049464 573056529 /nfs/dbraw/zinc/05/65/29/573056529.db2.gz IFAYQONSNZNBDO-QMMMGPOBSA-N 0 0 183.251 1.478 10 0 ADAERN CO[C@H]1C[C@@H](O)C12CCCCC2 85508461 573056533 /nfs/dbraw/zinc/05/65/33/573056533.db2.gz PELIWDPMXGSOHO-BDAKNGLRSA-N 0 0 170.252 1.717 10 0 ADAERN C=CS(=O)(=O)c1cccc(OC)n1 82458442 573056535 /nfs/dbraw/zinc/05/65/35/573056535.db2.gz SNGPNNUTQYIKDX-UHFFFAOYSA-N 0 0 199.231 1.007 10 0 ADAERN CCCc1c(O)nc(C(C)C)[nH]c1=O 82473824 573056542 /nfs/dbraw/zinc/05/65/42/573056542.db2.gz DOGMRORBWZAKRZ-UHFFFAOYSA-N 0 0 196.250 1.551 10 0 ADAERN CC(C)C1C[NH+](C2(C(=O)[O-])CCC2)C1 88049466 573056548 /nfs/dbraw/zinc/05/65/48/573056548.db2.gz LSRXZOUOVJRPGR-UHFFFAOYSA-N 0 0 197.278 1.582 10 0 ADAERN CO[C@@]1(C)OC(=O)c2c(O)cccc21 141883708 573056560 /nfs/dbraw/zinc/05/65/60/573056560.db2.gz NRBJGSOXVJPULT-JTQLQIEISA-N 0 0 194.186 1.382 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@@H]1OC(C)C 85509020 573056571 /nfs/dbraw/zinc/05/65/71/573056571.db2.gz ZXGSKSAKROKSPG-LPEHRKFASA-N 0 0 172.268 1.961 10 0 ADAERN COc1cccc(NC2CC2)n1 82458121 573056577 /nfs/dbraw/zinc/05/65/77/573056577.db2.gz DGXMMXBVBBDSQC-UHFFFAOYSA-N 0 0 164.208 1.665 10 0 ADAERN COCCCCC(=O)[C@H](O)C(C)C 308240281 573056579 /nfs/dbraw/zinc/05/65/79/573056579.db2.gz XYHYHMUSGFKQOR-SNVBAGLBSA-N 0 0 188.267 1.389 10 0 ADAERN CO[C@@H]1CCC[C@H](OC2CC(=O)C2)C1 85506853 573056585 /nfs/dbraw/zinc/05/65/85/573056585.db2.gz LILLYTOKVWRYGC-ZJUUUORDSA-N 0 0 198.262 1.692 10 0 ADAERN CO[C@H]1C[C@H](O)C12CCCC2 85508467 573056596 /nfs/dbraw/zinc/05/65/96/573056596.db2.gz XSZHCURWMJPFCF-YUMQZZPRSA-N 0 0 156.225 1.326 10 0 ADAERN CC1(C)C(=O)C[C@@H]1OC[C@@H]1CCOC1 85506358 573056599 /nfs/dbraw/zinc/05/65/99/573056599.db2.gz AIKRLEFSNOUODE-SCZZXKLOSA-N 0 0 198.262 1.407 10 0 ADAERN CC(C)CCCOC1CC(O)C1 85509769 573056607 /nfs/dbraw/zinc/05/66/07/573056607.db2.gz KSPANSWQEPQJHA-UHFFFAOYSA-N 0 0 172.268 1.963 10 0 ADAERN CC1(C)C(=O)C[C@H]1OC[C@@H]1CCOC1 85506355 573056657 /nfs/dbraw/zinc/05/66/57/573056657.db2.gz AIKRLEFSNOUODE-PSASIEDQSA-N 0 0 198.262 1.407 10 0 ADAERN CCSCCNc1cncc(N)c1 308240909 573056670 /nfs/dbraw/zinc/05/66/70/573056670.db2.gz YIJYHLDDLUSUQS-UHFFFAOYSA-N 0 0 197.307 1.829 10 0 ADAERN C[C@@H]1COc2cccc(N)c21 104598431 573056689 /nfs/dbraw/zinc/05/66/89/573056689.db2.gz KIZXEEYPVJYQAP-ZCFIWIBFSA-N 0 0 149.193 1.765 10 0 ADAERN OC1CC(Oc2ccc(F)cc2)C1 85507743 573056699 /nfs/dbraw/zinc/05/66/99/573056699.db2.gz RJDUZJWFLRAHBY-UHFFFAOYSA-N 0 0 182.194 1.728 10 0 ADAERN CCOc1cc(N)c(N)cc1F 82474484 573056722 /nfs/dbraw/zinc/05/67/22/573056722.db2.gz QWUCTEJLCFRXJF-UHFFFAOYSA-N 0 0 170.187 1.389 10 0 ADAERN Nc1cnc2cccc-2[nH]1 104597186 573056738 /nfs/dbraw/zinc/05/67/38/573056738.db2.gz ATSYVHRVZVLWIK-UHFFFAOYSA-N 0 0 133.154 1.097 10 0 ADAERN CC(C)O[C@H]1C[C@H](O)C1(C)C 85509076 573056743 /nfs/dbraw/zinc/05/67/43/573056743.db2.gz KAJSVFIJIJVOKT-YUMQZZPRSA-N 0 0 158.241 1.571 10 0 ADAERN CC1=N[C@H](N)CCCC1 104601614 573056745 /nfs/dbraw/zinc/05/67/45/573056745.db2.gz COWHMHWSHQPEAB-ZETCQYMHSA-N 0 0 126.203 1.306 10 0 ADAERN CC1(C)C(=O)C[C@H]1O[C@H]1CCOC1 85506636 573056749 /nfs/dbraw/zinc/05/67/49/573056749.db2.gz LNBQWOQGABBUAH-IONNQARKSA-N 0 0 184.235 1.160 10 0 ADAERN COc1cccc(N[C@@H]2C[C@H]2C)n1 82458397 573056758 /nfs/dbraw/zinc/05/67/58/573056758.db2.gz CKTQVQQXFDFEPW-HTQZYQBOSA-N 0 0 178.235 1.911 10 0 ADAERN C[C@H]1CC(=O)O[C@@H](CCCCO)C1 308240804 573056759 /nfs/dbraw/zinc/05/67/59/573056759.db2.gz YDPDETOWMOUQJN-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN C[C@@H]1CC(=O)CCN1Cc1ccon1 88054091 573056764 /nfs/dbraw/zinc/05/67/64/573056764.db2.gz CXJCFGICGBOCGW-MRVPVSSYSA-N 0 0 194.234 1.228 10 0 ADAERN CC1(C)C(=O)C[C@H]1OC1CCOCC1 85506227 573056807 /nfs/dbraw/zinc/05/68/07/573056807.db2.gz NTMOQLKQDRKGRH-SNVBAGLBSA-N 0 0 198.262 1.550 10 0 ADAERN O[C@H]1CCCC[C@H]1[NH2+]Cc1ccon1 88053903 573056844 /nfs/dbraw/zinc/05/68/44/573056844.db2.gz NAOFRYNDHWTVQN-ZJUUUORDSA-N 0 0 196.250 1.068 10 0 ADAERN c1cnc(OC2CCOCC2)cn1 145371886 573056855 /nfs/dbraw/zinc/05/68/55/573056855.db2.gz UFRHTZYMXRUUJC-UHFFFAOYSA-N 0 0 180.207 1.034 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1OCC(F)(F)F 85508420 573056862 /nfs/dbraw/zinc/05/68/62/573056862.db2.gz LZPBHTAFYZWJMJ-PHDIDXHHSA-N 0 0 198.184 1.725 10 0 ADAERN CON(CC(C)(C)C)[C@@H]1C[C@H]1CO 308488304 573056865 /nfs/dbraw/zinc/05/68/65/573056865.db2.gz QBCFHUOLWUISEQ-DTWKUNHWSA-N 0 0 187.283 1.277 10 0 ADAERN Cc1ccc(OC2CC(O)C2)cc1 85508111 573056885 /nfs/dbraw/zinc/05/68/85/573056885.db2.gz UQLGSPAZXQPXGV-UHFFFAOYSA-N 0 0 178.231 1.897 10 0 ADAERN O=C1CC(OCc2cccs2)C1 85506249 573056896 /nfs/dbraw/zinc/05/68/96/573056896.db2.gz TWSMOMWTEOYYSD-UHFFFAOYSA-N 0 0 182.244 1.996 10 0 ADAERN Clc1cccc([C@@H]2CCNN2)c1 257938692 573056906 /nfs/dbraw/zinc/05/69/06/573056906.db2.gz UQXNPAQBOAGZHU-VIFPVBQESA-N 0 0 182.654 1.879 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1Oc1cccnc1 85511558 573056910 /nfs/dbraw/zinc/05/69/10/573056910.db2.gz VFBYSUXJTHOAHR-NXEZZACHSA-N 0 0 193.246 1.620 10 0 ADAERN CC[C@@H](C)COC(=O)c1cocn1 308250248 573056917 /nfs/dbraw/zinc/05/69/17/573056917.db2.gz ATUCETDRXZQLPJ-SSDOTTSWSA-N 0 0 183.207 1.878 10 0 ADAERN CCC[C@@H]1C[C@@H](O)S1 238274662 573056919 /nfs/dbraw/zinc/05/69/19/573056919.db2.gz FQPUVHIQSSZZDO-RITPCOANSA-N 0 0 132.228 1.610 10 0 ADAERN CCO[C@@H](C)C(N)=NOCC(F)F 388683115 573056922 /nfs/dbraw/zinc/05/69/22/573056922.db2.gz JCKNTWZXDYLWLC-YFKPBYRVSA-N 0 0 196.197 1.175 10 0 ADAERN CCC(O)(CC)C(=O)c1ccc[nH]1 308238953 573057110 /nfs/dbraw/zinc/05/71/10/573057110.db2.gz XFZBIRXPCSJDRB-UHFFFAOYSA-N 0 0 181.235 1.749 10 0 ADAERN C[C@@H]1CCC[N@@H+]1C1(C(=O)[O-])CCC1 88049463 573056925 /nfs/dbraw/zinc/05/69/25/573056925.db2.gz 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CON(CC(C)(C)C)[C@H]1C[C@@H]1CO 308488303 573060204 /nfs/dbraw/zinc/06/02/04/573060204.db2.gz QBCFHUOLWUISEQ-BDAKNGLRSA-N 0 0 187.283 1.277 10 0 ADAERN COC(=O)[C@H](C)C[C@@H](O)C=C(C)C 308242659 573060387 /nfs/dbraw/zinc/06/03/87/573060387.db2.gz ZLWDLXJXWSTCIX-BDAKNGLRSA-N 0 0 186.251 1.513 10 0 ADAERN CC[S@](=O)c1cc(F)ccc1N 88065686 573060180 /nfs/dbraw/zinc/06/01/80/573060180.db2.gz XUBRNCVSTVNGPV-GFCCVEGCSA-N 0 0 187.239 1.535 10 0 ADAERN CC[C@@H](CO)NC(=S)C(C)C 238274574 573060191 /nfs/dbraw/zinc/06/01/91/573060191.db2.gz DUECPKDZVXMQMA-ZETCQYMHSA-N 0 0 175.297 1.330 10 0 ADAERN COC[S@@](=O)c1ccc(N)c(C)c1 88065193 573060194 /nfs/dbraw/zinc/06/01/94/573060194.db2.gz YWQZDWRPQCPPRN-ZDUSSCGKSA-N 0 0 199.275 1.289 10 0 ADAERN Nc1cccc([S@@](=O)CCF)c1 88063341 573060201 /nfs/dbraw/zinc/06/02/01/573060201.db2.gz UFPXHQWMHKUMOE-GFCCVEGCSA-N 0 0 187.239 1.346 10 0 ADAERN COC/C=C/C(=O)N[C@@H](C)C(C)C 308487512 573060210 /nfs/dbraw/zinc/06/02/10/573060210.db2.gz PSUHUEFJCVLPPT-CYNONHLPSA-N 0 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573060436 /nfs/dbraw/zinc/06/04/36/573060436.db2.gz ZLWDLXJXWSTCIX-IUCAKERBSA-N 0 0 186.251 1.513 10 0 ADAERN CC[S@](=O)c1ccc(F)cc1N 88064384 573060460 /nfs/dbraw/zinc/06/04/60/573060460.db2.gz QUIWXHSJMFLLJA-GFCCVEGCSA-N 0 0 187.239 1.535 10 0 ADAERN COC[S@](=O)c1cc(C)ccc1N 88065565 573060662 /nfs/dbraw/zinc/06/06/62/573060662.db2.gz VRZPTVUGMOSKHA-CYBMUJFWSA-N 0 0 199.275 1.289 10 0 ADAERN Cc1ncccc1-c1n[nH]c(=S)[nH]1 82480598 573060553 /nfs/dbraw/zinc/06/05/53/573060553.db2.gz SKDRESKDFWPHRS-UHFFFAOYSA-N 0 0 192.247 1.838 10 0 ADAERN CCOc1ccc(N)c([S@](C)=O)c1 88063068 573060564 /nfs/dbraw/zinc/06/05/64/573060564.db2.gz DVRYPZPXFRMWDA-CYBMUJFWSA-N 0 0 199.275 1.405 10 0 ADAERN CCC[C@@H](C)[C@@H](C)OC(=O)[C@H](C)O 308244186 573060584 /nfs/dbraw/zinc/06/05/84/573060584.db2.gz UHKUJOKYKYJEFQ-HRDYMLBCSA-N 0 0 188.267 1.735 10 0 ADAERN CC(=O)[C@H](F)C[C@H]1CCCO1 258474758 573060591 /nfs/dbraw/zinc/06/05/91/573060591.db2.gz IQVUPTZJVRWKCC-HTQZYQBOSA-N 0 0 160.188 1.483 10 0 ADAERN 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82483171 573061080 /nfs/dbraw/zinc/06/10/80/573061080.db2.gz HUBDYDJNOXWRSV-UHFFFAOYSA-N 0 0 181.239 1.402 10 0 ADAERN CC[S@](=O)c1cc(N)cc(F)c1 88065310 573061091 /nfs/dbraw/zinc/06/10/91/573061091.db2.gz HQUYPAZRKCMDRJ-GFCCVEGCSA-N 0 0 187.239 1.535 10 0 ADAERN CC/C=C/COC(=O)C[C@@H](C)OC 308488146 573061096 /nfs/dbraw/zinc/06/10/96/573061096.db2.gz PYDFNEJDTBKYRA-VUHVRTRXSA-N 0 0 186.251 1.921 10 0 ADAERN Cc1nn(C)c2cc(N)c(C=O)cc12 259320375 573061101 /nfs/dbraw/zinc/06/11/01/573061101.db2.gz FXFFSTOGQHNLKR-UHFFFAOYSA-N 0 0 189.218 1.276 10 0 ADAERN CCC[C@@H]1C[C@@H](CO)[C@@H]1CO 238274396 573061107 /nfs/dbraw/zinc/06/11/07/573061107.db2.gz SHNIMRLGIHNFCE-HRDYMLBCSA-N 0 0 158.241 1.023 10 0 ADAERN CCC[C@H](O)[C@@](C)(O)CC 114144068 573061134 /nfs/dbraw/zinc/06/11/34/573061134.db2.gz LNBXHVBRHXOSGV-YUMQZZPRSA-N 0 0 146.230 1.308 10 0 ADAERN CSc1nnc(CNC(C)C)o1 259320202 573061141 /nfs/dbraw/zinc/06/11/41/573061141.db2.gz WLWNVFJEFUDADA-UHFFFAOYSA-N 0 0 187.268 1.290 10 0 ADAERN 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CCc1cccc(CC)c1C(N)=O 114140639 573061218 /nfs/dbraw/zinc/06/12/18/573061218.db2.gz MNQMBVADCXFLAV-UHFFFAOYSA-N 0 0 177.247 1.910 10 0 ADAERN C[C@@H](O)[C@@H]1CN(C)c2ccc(F)cc21 257936241 573061219 /nfs/dbraw/zinc/06/12/19/573061219.db2.gz DCZWUQYIVCJNPG-XCBNKYQSSA-N 0 0 195.237 1.740 10 0 ADAERN c1cc(Cc2cc[nH]c2)c[nH]1 104606611 573061225 /nfs/dbraw/zinc/06/12/25/573061225.db2.gz KHRVRGNGMCSQOM-UHFFFAOYSA-N 0 0 146.193 1.934 10 0 ADAERN CCOC1=NC(Cl)C=CC=N1 238263157 573061268 /nfs/dbraw/zinc/06/12/68/573061268.db2.gz ZSROJNNNLWRYLS-UHFFFAOYSA-N 0 0 172.615 1.576 10 0 ADAERN C[C@H]1NCCN(CCC(C)(C)C)C1=O 82476340 573061271 /nfs/dbraw/zinc/06/12/71/573061271.db2.gz JHHXTUZFLRDSJU-SECBINFHSA-N 0 0 198.310 1.243 10 0 ADAERN CCC[C@H](/C=C/CO)OC 238262933 573061275 /nfs/dbraw/zinc/06/12/75/573061275.db2.gz HSPSNAIDQOIVLW-YZCDNWJKSA-N 0 0 144.214 1.350 10 0 ADAERN CCNC(=S)NCP(C)(C)=O 238263327 573061745 /nfs/dbraw/zinc/06/17/45/573061745.db2.gz RNLKKQXGBIANPJ-UHFFFAOYSA-N 0 0 194.240 1.051 10 0 ADAERN CC[S@@](=O)c1cccc(N)c1C 88066058 573061733 /nfs/dbraw/zinc/06/17/33/573061733.db2.gz FUYSOULTCUUJDJ-LBPRGKRZSA-N 0 0 183.276 1.705 10 0 ADAERN CC[C@H](C)[C@H]1C[C@@H](C(=O)[O-])CC[NH2+]1 238274362 573061736 /nfs/dbraw/zinc/06/17/36/573061736.db2.gz ULDQOVLHRNGFPC-XHNCKOQMSA-N 0 0 185.267 1.485 10 0 ADAERN C/C=C(\CC)C(=S)NC 104605607 573061823 /nfs/dbraw/zinc/06/18/23/573061823.db2.gz KGSPRJJHXBSUHI-GQCTYLIASA-N 0 0 143.255 1.890 10 0 ADAERN CCC[C@@H]1C[C@H]1C(=O)N1CCSC1 308244444 573061834 /nfs/dbraw/zinc/06/18/34/573061834.db2.gz UORMDOFMQNTJRJ-RKDXNWHRSA-N 0 0 199.319 1.956 10 0 ADAERN C[C@H]1CCNC(=O)C[C@@H]1C 104604445 573061909 /nfs/dbraw/zinc/06/19/09/573061909.db2.gz YPSRCBACAGZPPD-BQBZGAKWSA-N 0 0 141.214 1.169 10 0 ADAERN CC(=S)NC=C(C)C 104603619 573061925 /nfs/dbraw/zinc/06/19/25/573061925.db2.gz CZCGYFSAPODYTJ-UHFFFAOYSA-N 0 0 129.228 1.847 10 0 ADAERN CCOc1cc(NC)nc(CC)n1 82482770 573061972 /nfs/dbraw/zinc/06/19/72/573061972.db2.gz XCALKPNJBTVBPC-UHFFFAOYSA-N 0 0 181.239 1.479 10 0 ADAERN COC[S@](=O)c1ccc(N)c(C)c1 88065192 573062045 /nfs/dbraw/zinc/06/20/45/573062045.db2.gz YWQZDWRPQCPPRN-CYBMUJFWSA-N 0 0 199.275 1.289 10 0 ADAERN CCCNc1cnsn1 104604889 573062071 /nfs/dbraw/zinc/06/20/71/573062071.db2.gz AHKHXHNFVGUCBC-UHFFFAOYSA-N 0 0 143.215 1.360 10 0 ADAERN COC[S@@](=O)c1ccc(C)cc1N 88063896 573062079 /nfs/dbraw/zinc/06/20/79/573062079.db2.gz GYHKARZWVJJVQE-ZDUSSCGKSA-N 0 0 199.275 1.289 10 0 ADAERN CC/C=C\C(=O)N[C@@](C)(CC)CO 308244796 573062127 /nfs/dbraw/zinc/06/21/27/573062127.db2.gz URWZWQVJBMMHLN-GFVADAIESA-N 0 0 185.267 1.230 10 0 ADAERN CC[S@](=O)c1ccc(C)cc1N 88063832 573062157 /nfs/dbraw/zinc/06/21/57/573062157.db2.gz FUXDNEFIYCNHRH-GFCCVEGCSA-N 0 0 183.276 1.705 10 0 ADAERN CC[S@](=O)c1ccc(N)c(F)c1 88066247 573062162 /nfs/dbraw/zinc/06/21/62/573062162.db2.gz XVGBADHAHFPMDL-GFCCVEGCSA-N 0 0 187.239 1.535 10 0 ADAERN C[C@H]1CC[C@@H](C)NC(=O)C1 104603727 573062184 /nfs/dbraw/zinc/06/21/84/573062184.db2.gz YIDWADMWOOTGER-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN COC[S@](=O)c1ccc(C)cc1N 88063895 573062198 /nfs/dbraw/zinc/06/21/98/573062198.db2.gz GYHKARZWVJJVQE-CYBMUJFWSA-N 0 0 199.275 1.289 10 0 ADAERN C[C@H](CCCO)[C@H]1COC(C)(C)O1 308243132 573062214 /nfs/dbraw/zinc/06/22/14/573062214.db2.gz ZXSJRLDNCYKIRD-RKDXNWHRSA-N 0 0 188.267 1.547 10 0 ADAERN C[C@@H]1NCc2ccccc2O1 104603550 573062229 /nfs/dbraw/zinc/06/22/29/573062229.db2.gz GQNVZHSQHFENPB-SSDOTTSWSA-N 0 0 149.193 1.515 10 0 ADAERN CC[C@@](C)(C(C)=O)C(=O)OC 114083798 573062234 /nfs/dbraw/zinc/06/22/34/573062234.db2.gz QICZHTMFIVRQSE-QMMMGPOBSA-N 0 0 158.197 1.165 10 0 ADAERN Cc1ccc([S@](C)=O)c(N)c1 88063897 573062257 /nfs/dbraw/zinc/06/22/57/573062257.db2.gz SGZRFFMGYAJNCT-LLVKDONJSA-N 0 0 169.249 1.315 10 0 ADAERN CC[C@@H]1NC(=O)O[C@@H]1CC 104604739 573062263 /nfs/dbraw/zinc/06/22/63/573062263.db2.gz LRLGSRIXILSAIE-NTSWFWBYSA-N 0 0 143.186 1.283 10 0 ADAERN CCCC[C@@H](NN)c1cnc(C)n1C 308492579 573062274 /nfs/dbraw/zinc/06/22/74/573062274.db2.gz RMDBYOBWHHNIPA-SECBINFHSA-N 0 0 196.298 1.423 10 0 ADAERN CNc1ccc(OCOC)cc1 114180853 573062286 /nfs/dbraw/zinc/06/22/86/573062286.db2.gz AUTYXMXKQDZUFF-UHFFFAOYSA-N 0 0 167.208 1.711 10 0 ADAERN COC[S@@](=O)c1cc(N)ccc1C 88065941 573062354 /nfs/dbraw/zinc/06/23/54/573062354.db2.gz WNSBXTMFVOBZSM-ZDUSSCGKSA-N 0 0 199.275 1.289 10 0 ADAERN Cc1c(N)cccc1[S@](C)=O 88066128 573062375 /nfs/dbraw/zinc/06/23/75/573062375.db2.gz BNQYCFAEDZJOHB-LLVKDONJSA-N 0 0 169.249 1.315 10 0 ADAERN Cc1ccc(N)c([S@@](C)=O)c1 88065568 573062405 /nfs/dbraw/zinc/06/24/05/573062405.db2.gz NTCXNOZHFYEBFP-NSHDSACASA-N 0 0 169.249 1.315 10 0 ADAERN COc1c(N)ccc2c(C)n(C)nc12 259320299 573062446 /nfs/dbraw/zinc/06/24/46/573062446.db2.gz FWFPZBPSSKNFHK-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN CC(=O)C[C@@H](C)c1ncnn1C(C)C 308492510 573062447 /nfs/dbraw/zinc/06/24/47/573062447.db2.gz RJFICELKVLRFDM-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN CCC[C@H](C)[C@H](C)OC(=O)[C@H](C)O 308244183 573062449 /nfs/dbraw/zinc/06/24/49/573062449.db2.gz UHKUJOKYKYJEFQ-CIUDSAMLSA-N 0 0 188.267 1.735 10 0 ADAERN Cc1nc([C@@H](C)O)ccc1F 114161918 573062454 /nfs/dbraw/zinc/06/24/54/573062454.db2.gz RQGWILWNQUMFQJ-ZCFIWIBFSA-N 0 0 155.172 1.582 10 0 ADAERN CC[S@@](=O)c1cccc(N)c1 88063387 573062459 /nfs/dbraw/zinc/06/24/59/573062459.db2.gz KULNEYPPCDQNEO-NSHDSACASA-N 0 0 169.249 1.396 10 0 ADAERN O=C1Cc2ccccc2N=NC1=O 114187177 573062462 /nfs/dbraw/zinc/06/24/62/573062462.db2.gz VWXHAUCGZYVTCJ-UHFFFAOYSA-N 0 0 174.159 1.422 10 0 ADAERN CCC[C@H]1C[C@H]1C(=O)N1CCSC1 308244442 573062465 /nfs/dbraw/zinc/06/24/65/573062465.db2.gz UORMDOFMQNTJRJ-DTWKUNHWSA-N 0 0 199.319 1.956 10 0 ADAERN CC[S@@](=O)c1cc(N)cc(F)c1 88065309 573062467 /nfs/dbraw/zinc/06/24/67/573062467.db2.gz HQUYPAZRKCMDRJ-LBPRGKRZSA-N 0 0 187.239 1.535 10 0 ADAERN CCOc1nc(N)ncc1CC 238263790 573062546 /nfs/dbraw/zinc/06/25/46/573062546.db2.gz LTJBEFLMEBOZAX-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN CCC[C@H]1CCC(=O)NC1 104606074 573062548 /nfs/dbraw/zinc/06/25/48/573062548.db2.gz FILJVUGYUWUREA-ZETCQYMHSA-N 0 0 141.214 1.313 10 0 ADAERN CSc1ccc(N(C)CCO)cc1 259035119 573062579 /nfs/dbraw/zinc/06/25/79/573062579.db2.gz PDBAFBJRCJPIME-UHFFFAOYSA-N 0 0 197.303 1.837 10 0 ADAERN COC[S@@](=O)c1ccc(N)cc1C 88064081 573062624 /nfs/dbraw/zinc/06/26/24/573062624.db2.gz ZUMONJGSICNCDD-ZDUSSCGKSA-N 0 0 199.275 1.289 10 0 ADAERN CC[C@H](C)CN1CCNC(C)(C)C1=O 82476387 573062626 /nfs/dbraw/zinc/06/26/26/573062626.db2.gz CSFNXCPKKGXDTE-VIFPVBQESA-N 0 0 198.310 1.243 10 0 ADAERN Cc1c[nH]c(=O)c2c1CCC2 104605082 573062649 /nfs/dbraw/zinc/06/26/49/573062649.db2.gz IPFCXPDTHGOCLE-UHFFFAOYSA-N 0 0 149.193 1.172 10 0 ADAERN Cc1cc(C(=O)N(C)C)cc(Cl)n1 114151974 573062659 /nfs/dbraw/zinc/06/26/59/573062659.db2.gz DMCVXGCUFGFXJK-UHFFFAOYSA-N 0 0 198.653 1.745 10 0 ADAERN CCNC(=S)c1ccc(O)cc1C 238264404 573062660 /nfs/dbraw/zinc/06/26/60/573062660.db2.gz KCNQXINZQOPODN-UHFFFAOYSA-N 0 0 195.287 1.986 10 0 ADAERN CCOC(=O)[C@H](C)[C@H]1CCC[C@@H]1O 308243149 573062732 /nfs/dbraw/zinc/06/27/32/573062732.db2.gz ZYWMYMNAONFILU-HLTSFMKQSA-N 0 0 186.251 1.347 10 0 ADAERN CCO[C@@H]1C[C@@H](C)CC1=O 238265091 573062724 /nfs/dbraw/zinc/06/27/24/573062724.db2.gz HCSNHSSMJNWLDP-POYBYMJQSA-N 0 0 142.198 1.391 10 0 ADAERN CCOC(=O)[C@H](C)[C@@H]1CCC[C@H]1O 308243150 573062725 /nfs/dbraw/zinc/06/27/25/573062725.db2.gz ZYWMYMNAONFILU-HRDYMLBCSA-N 0 0 186.251 1.347 10 0 ADAERN Nc1ncc(OC2CCCC2)cn1 114086210 573062760 /nfs/dbraw/zinc/06/27/60/573062760.db2.gz XGAKNUPZXKPFOS-UHFFFAOYSA-N 0 0 179.223 1.380 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CN1CCC(=O)C1 717084407 573062821 /nfs/dbraw/zinc/06/28/21/573062821.db2.gz QEPPLEBBDDPKFS-QCZKYFFMSA-N 0 0 193.290 1.553 10 0 ADAERN C[C@@H]1CC[C@@H](C)NC(=O)C1 104603722 573062829 /nfs/dbraw/zinc/06/28/29/573062829.db2.gz YIDWADMWOOTGER-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN CCNC(=S)Nc1c(C)noc1C 238263679 573062861 /nfs/dbraw/zinc/06/28/61/573062861.db2.gz SAGAWHYOCHGGOW-UHFFFAOYSA-N 0 0 199.279 1.598 10 0 ADAERN CCCCCC[C@H]1COC(=O)[C@H]1O 308243124 573062868 /nfs/dbraw/zinc/06/28/68/573062868.db2.gz ZXRGREJSZDDSQO-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN CC[C@@H]1NC(=O)O[C@H]1CC 104604729 573062880 /nfs/dbraw/zinc/06/28/80/573062880.db2.gz LRLGSRIXILSAIE-WDSKDSINSA-N 0 0 143.186 1.283 10 0 ADAERN CCC1=C(C)[C@H](C)NC1=O 104603733 573062888 /nfs/dbraw/zinc/06/28/88/573062888.db2.gz SEMCEFKXMYZIHR-LURJTMIESA-N 0 0 139.198 1.231 10 0 ADAERN CCOC(=O)c1ncccc1OC#N 308242004 573062895 /nfs/dbraw/zinc/06/28/95/573062895.db2.gz LCJBFXMRVDTFGZ-UHFFFAOYSA-N 0 0 192.174 1.118 10 0 ADAERN CCCOCc1nnc(C(F)F)o1 308244241 573063523 /nfs/dbraw/zinc/06/35/23/573063523.db2.gz UJASFTYNZXWQGL-UHFFFAOYSA-N 0 0 192.165 1.934 10 0 ADAERN CCOC(=O)[C@H](C)[C@H]1CCC[C@H]1O 308243151 573063531 /nfs/dbraw/zinc/06/35/31/573063531.db2.gz ZYWMYMNAONFILU-IWSPIJDZSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@@H]1CC[C@@H](COC(C)=O)O1 238264676 573063536 /nfs/dbraw/zinc/06/35/36/573063536.db2.gz QCQRELGGPMEJBE-BDAKNGLRSA-N 0 0 172.224 1.507 10 0 ADAERN CCOc1cc(N)nc(CC)n1 82482826 573063551 /nfs/dbraw/zinc/06/35/51/573063551.db2.gz NVCXMXIKIJYWIQ-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN COC(=O)[C@H](CC(C)C)n1cncn1 308492612 573063563 /nfs/dbraw/zinc/06/35/63/573063563.db2.gz RNMNVPSCEZQXBD-QMMMGPOBSA-N 0 0 197.238 1.038 10 0 ADAERN CC[C@H](C)ONC(=O)c1ccco1 308243715 573063565 /nfs/dbraw/zinc/06/35/65/573063565.db2.gz TZUWFDFJPODUQX-ZETCQYMHSA-N 0 0 183.207 1.740 10 0 ADAERN CCC[C@]1(C)NC(=O)[C@@H]2CCCN21 238263643 573063577 /nfs/dbraw/zinc/06/35/77/573063577.db2.gz FKIHVDGUVARRIS-WCBMZHEXSA-N 0 0 182.267 1.097 10 0 ADAERN CCc1nc(NC)cc(OC)n1 82482562 573063580 /nfs/dbraw/zinc/06/35/80/573063580.db2.gz PXRHHQJCUYIARZ-UHFFFAOYSA-N 0 0 167.212 1.089 10 0 ADAERN CCC[C@H](C)[C@@H](C)OC(=O)[C@@H](C)O 308244184 573063584 /nfs/dbraw/zinc/06/35/84/573063584.db2.gz UHKUJOKYKYJEFQ-DJLDLDEBSA-N 0 0 188.267 1.735 10 0 ADAERN CC[S@](=O)c1ccc(N)cc1F 88064199 573063887 /nfs/dbraw/zinc/06/38/87/573063887.db2.gz XPNZLODZDHIJND-GFCCVEGCSA-N 0 0 187.239 1.535 10 0 ADAERN C[C@@H](O)c1csc(CCCO)n1 257940237 573063585 /nfs/dbraw/zinc/06/35/85/573063585.db2.gz FHELTUUSPSEEEB-ZCFIWIBFSA-N 0 0 187.264 1.121 10 0 ADAERN CCCC[C@H](NN)c1cnc(C)n1C 308492581 573063604 /nfs/dbraw/zinc/06/36/04/573063604.db2.gz RMDBYOBWHHNIPA-VIFPVBQESA-N 0 0 196.298 1.423 10 0 ADAERN C[C@@H]1NC(=S)OC1(C)C 104603709 573063890 /nfs/dbraw/zinc/06/38/90/573063890.db2.gz GHUICFZSGSZCJS-BYPYZUCNSA-N 0 0 145.227 1.058 10 0 ADAERN CC1=CC(=O)N[C@H](C)CC1 104604311 573063630 /nfs/dbraw/zinc/06/36/30/573063630.db2.gz JBLZUMBZNWDKHD-SSDOTTSWSA-N 0 0 139.198 1.231 10 0 ADAERN COC[C@@H](C)C(=O)OCC1(C)CC1 308492642 573063642 /nfs/dbraw/zinc/06/36/42/573063642.db2.gz RXJYLGFFGZVRQI-MRVPVSSYSA-N 0 0 186.251 1.612 10 0 ADAERN Cc1c(N)cccc1[S@@](C)=O 88066129 573063645 /nfs/dbraw/zinc/06/36/45/573063645.db2.gz BNQYCFAEDZJOHB-NSHDSACASA-N 0 0 169.249 1.315 10 0 ADAERN CCO[C@@H]1C[C@@H](C(C)C)CC(=O)N1 238265030 573063660 /nfs/dbraw/zinc/06/36/60/573063660.db2.gz XLLMEKWJRISIFD-WCBMZHEXSA-N 0 0 185.267 1.531 10 0 ADAERN CCC[C@H](O)[C@H]1CC12CC2 238264953 573063675 /nfs/dbraw/zinc/06/36/75/573063675.db2.gz XJWQFJJLBCYJAV-SFYZADRCSA-N 0 0 140.226 1.948 10 0 ADAERN Cc1oc(N)nc1CC(C)C 258474746 573063685 /nfs/dbraw/zinc/06/36/85/573063685.db2.gz IQNUAYFTDPBBGM-UHFFFAOYSA-N 0 0 154.213 1.764 10 0 ADAERN CC(=O)C[C@H](C)c1ncnn1C(C)C 308492512 573063689 /nfs/dbraw/zinc/06/36/89/573063689.db2.gz RJFICELKVLRFDM-QMMMGPOBSA-N 0 0 195.266 1.942 10 0 ADAERN CCCOc1cccc(=O)[nH]1 238264244 573063692 /nfs/dbraw/zinc/06/36/92/573063692.db2.gz IOWOEEMXRVRNSN-UHFFFAOYSA-N 0 0 153.181 1.576 10 0 ADAERN CC[C@@H]1CC[C@H](C)O[C@@H]1O 238265406 573065577 /nfs/dbraw/zinc/06/55/77/573065577.db2.gz CPLQXAQZXFTNPM-RNJXMRFFSA-N 0 0 144.214 1.530 10 0 ADAERN CC[N@H+](CCC(=O)[O-])C[C@@]1(C)C[C@H]1C 714623150 573063714 /nfs/dbraw/zinc/06/37/14/573063714.db2.gz OCXAXNYTXYGLQJ-MWLCHTKSSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H]1CC(=O)NCC[C@H]1C 104604440 573063715 /nfs/dbraw/zinc/06/37/15/573063715.db2.gz YPSRCBACAGZPPD-RQJHMYQMSA-N 0 0 141.214 1.169 10 0 ADAERN CCO[C@@H]1CC[C@H](C(C)=O)O1 238264538 573063737 /nfs/dbraw/zinc/06/37/37/573063737.db2.gz UAEKDWVHTMTALY-SFYZADRCSA-N 0 0 158.197 1.117 10 0 ADAERN C[C@@H]1CC[C@H](O)CCC1=O 143904808 573063748 /nfs/dbraw/zinc/06/37/48/573063748.db2.gz ZXRNRVDNSWCLKA-RQJHMYQMSA-N 0 0 142.198 1.127 10 0 ADAERN CCCOc1cccccc1=O 238265605 573063756 /nfs/dbraw/zinc/06/37/56/573063756.db2.gz KAAMIHJEDIAALL-UHFFFAOYSA-N 0 0 164.204 1.836 10 0 ADAERN CC[C@@H]1CC[C@@](C)(O)CC1=O 238265014 573063771 /nfs/dbraw/zinc/06/37/71/573063771.db2.gz DVKQHZFBZWIEGT-VXNVDRBHSA-N 0 0 156.225 1.517 10 0 ADAERN CCN(C(=O)C(F)F)c1ncc[nH]1 308243659 573063796 /nfs/dbraw/zinc/06/37/96/573063796.db2.gz TWRXEONGNQGXHQ-UHFFFAOYSA-N 0 0 189.165 1.028 10 0 ADAERN CCC[C@@H](C)[C@H](C)OC(=O)[C@H](C)O 308244188 573063813 /nfs/dbraw/zinc/06/38/13/573063813.db2.gz UHKUJOKYKYJEFQ-VGMNWLOBSA-N 0 0 188.267 1.735 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CN1CCC(=O)C1 717084363 573063836 /nfs/dbraw/zinc/06/38/36/573063836.db2.gz QEPPLEBBDDPKFS-LSKIRQOJSA-N 0 0 193.290 1.553 10 0 ADAERN CN(C)NCC(C)(C)C 114134987 573063882 /nfs/dbraw/zinc/06/38/82/573063882.db2.gz HRHKBQXBOFVHMK-UHFFFAOYSA-N 0 0 130.235 1.099 10 0 ADAERN CCc1c(N)nn(C)c1C(C)C 258474875 573063853 /nfs/dbraw/zinc/06/38/53/573063853.db2.gz ITSIFXWRWONIIT-UHFFFAOYSA-N 0 0 167.256 1.688 10 0 ADAERN C[C@H](O)[C@@H](C)CO[C@H]1CCCCO1 308242671 573063894 /nfs/dbraw/zinc/06/38/94/573063894.db2.gz ZNAIJWSKVAJHHP-GUBZILKMSA-N 0 0 188.267 1.547 10 0 ADAERN [O-][n+]1cc(Cl)cc2c1CCC2 114110697 573063917 /nfs/dbraw/zinc/06/39/17/573063917.db2.gz OEHMIGFYIBYDQD-UHFFFAOYSA-N 0 0 169.611 1.462 10 0 ADAERN CC[S@](=O)c1cccc(N)c1C 88066059 573063928 /nfs/dbraw/zinc/06/39/28/573063928.db2.gz FUYSOULTCUUJDJ-GFCCVEGCSA-N 0 0 183.276 1.705 10 0 ADAERN CN1CCCc2ccc(CO)cc21 114078515 573063929 /nfs/dbraw/zinc/06/39/29/573063929.db2.gz DVUYLIUTJRTZOO-UHFFFAOYSA-N 0 0 177.247 1.561 10 0 ADAERN Cc1ccc(N)c([S@](C)=O)c1 88065567 573063938 /nfs/dbraw/zinc/06/39/38/573063938.db2.gz NTCXNOZHFYEBFP-LLVKDONJSA-N 0 0 169.249 1.315 10 0 ADAERN CC[C@]1(C)OC(=O)N[C@H]1C 104602463 573063960 /nfs/dbraw/zinc/06/39/60/573063960.db2.gz BHNVDWXBKXSBSG-FSPLSTOPSA-N 0 0 143.186 1.283 10 0 ADAERN CCCC(=O)COCc1ncc[nH]1 308243722 573063965 /nfs/dbraw/zinc/06/39/65/573063965.db2.gz UAAOOGWYHVIBTC-UHFFFAOYSA-N 0 0 182.223 1.296 10 0 ADAERN CC[S@@](=O)c1cc(N)ccc1C 88065872 573063966 /nfs/dbraw/zinc/06/39/66/573063966.db2.gz NGXUVGYNVBFBCB-LBPRGKRZSA-N 0 0 183.276 1.705 10 0 ADAERN CC[S@](=O)c1ccc(N)cc1C 88064013 573063975 /nfs/dbraw/zinc/06/39/75/573063975.db2.gz FNOURJMFNJNRHR-GFCCVEGCSA-N 0 0 183.276 1.705 10 0 ADAERN CCC[C@@H](C)[C@H](C)OC(=O)[C@@H](C)O 308244185 573064034 /nfs/dbraw/zinc/06/40/34/573064034.db2.gz UHKUJOKYKYJEFQ-HLTSFMKQSA-N 0 0 188.267 1.735 10 0 ADAERN CC(=O)[C@H](F)C[C@@H]1CCCO1 258474760 573064073 /nfs/dbraw/zinc/06/40/73/573064073.db2.gz IQVUPTZJVRWKCC-JGVFFNPUSA-N 0 0 160.188 1.483 10 0 ADAERN CC1=CC(=O)N[C@@H](C)CC1 104604315 573064087 /nfs/dbraw/zinc/06/40/87/573064087.db2.gz JBLZUMBZNWDKHD-ZETCQYMHSA-N 0 0 139.198 1.231 10 0 ADAERN C[S@@](=O)c1cc(N)cc(F)c1 88065379 573064089 /nfs/dbraw/zinc/06/40/89/573064089.db2.gz PVMGNZYWEGATSR-NSHDSACASA-N 0 0 173.212 1.145 10 0 ADAERN CCC[C@H](C)[C@@H](C)OC(=O)[C@H](C)O 308244189 573064091 /nfs/dbraw/zinc/06/40/91/573064091.db2.gz UHKUJOKYKYJEFQ-XHNCKOQMSA-N 0 0 188.267 1.735 10 0 ADAERN COC[S@@](=O)c1cccc(C)c1N 88068998 573064107 /nfs/dbraw/zinc/06/41/07/573064107.db2.gz RUGXRABTAXQQHR-ZDUSSCGKSA-N 0 0 199.275 1.289 10 0 ADAERN CC[S@@](=O)c1ccc(N)cc1C 88064012 573064134 /nfs/dbraw/zinc/06/41/34/573064134.db2.gz FNOURJMFNJNRHR-LBPRGKRZSA-N 0 0 183.276 1.705 10 0 ADAERN CCO[C@@H]1CC[C@H](C)C(=O)C1 238264559 573064142 /nfs/dbraw/zinc/06/41/42/573064142.db2.gz BJFHILIESXBHMH-JGVFFNPUSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@@H]1CC[C@@H](O)CCC1=O 143904376 573064147 /nfs/dbraw/zinc/06/41/47/573064147.db2.gz ZXRNRVDNSWCLKA-RNFRBKRXSA-N 0 0 142.198 1.127 10 0 ADAERN C=C(NC(C)=O)c1ncc(F)cc1F 114164121 573064167 /nfs/dbraw/zinc/06/41/67/573064167.db2.gz UOOPOPNZYTVPDT-UHFFFAOYSA-N 0 0 198.172 1.467 10 0 ADAERN CC[N@H+](CCC(=O)[O-])C[C@]1(C)C[C@@H]1C 714623157 573064198 /nfs/dbraw/zinc/06/41/98/573064198.db2.gz OCXAXNYTXYGLQJ-ONGXEEELSA-N 0 0 199.294 1.829 10 0 ADAERN Nc1nc(CO)cc2ccsc12 114079174 573064211 /nfs/dbraw/zinc/06/42/11/573064211.db2.gz CJAWIXVLCILVBF-UHFFFAOYSA-N 0 0 180.232 1.371 10 0 ADAERN CCOc1cc(C=O)cnc1Cl 238263988 573064215 /nfs/dbraw/zinc/06/42/15/573064215.db2.gz DXOMGHFFYIBHBH-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN COc1cnc2cccc(CO)c2n1 114165694 573064222 /nfs/dbraw/zinc/06/42/22/573064222.db2.gz DIGFZXLQKKRSNC-UHFFFAOYSA-N 0 0 190.202 1.131 10 0 ADAERN CC(C)[S@](=O)c1cccc(N)c1 88063334 573064225 /nfs/dbraw/zinc/06/42/25/573064225.db2.gz VANDWKCOLIHBIC-GFCCVEGCSA-N 0 0 183.276 1.785 10 0 ADAERN CCO[C@@H]1CC[C@H]1[C@@H](C)O 238264682 573064227 /nfs/dbraw/zinc/06/42/27/573064227.db2.gz BBRABMMCGFZOMH-GJMOJQLCSA-N 0 0 144.214 1.182 10 0 ADAERN CCC[S@](=O)c1cccc(N)c1 88063332 573064240 /nfs/dbraw/zinc/06/42/40/573064240.db2.gz WISOWUWZVSKJNB-GFCCVEGCSA-N 0 0 183.276 1.786 10 0 ADAERN COc1ccc(C=O)c2nn(C)cc12 259320392 573064256 /nfs/dbraw/zinc/06/42/56/573064256.db2.gz FXHXIQAUFJTIFX-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN CC[C@@]1(C)OC(=O)N[C@H]1C 104602457 573064286 /nfs/dbraw/zinc/06/42/86/573064286.db2.gz BHNVDWXBKXSBSG-CAHLUQPWSA-N 0 0 143.186 1.283 10 0 ADAERN CC[C@](C)(C(C)=O)C(=O)OC 114083800 573064323 /nfs/dbraw/zinc/06/43/23/573064323.db2.gz QICZHTMFIVRQSE-MRVPVSSYSA-N 0 0 158.197 1.165 10 0 ADAERN CCNC(=S)[C@@H]1CCCCC1=O 238264170 573064337 /nfs/dbraw/zinc/06/43/37/573064337.db2.gz BQZCLFRLAHABDE-SSDOTTSWSA-N 0 0 185.292 1.683 10 0 ADAERN O=C1C[C@H]([C@H]2CCCSC2)CN1 257939572 573064987 /nfs/dbraw/zinc/06/49/87/573064987.db2.gz USSSFMXTOQOZBI-YUMQZZPRSA-N 0 0 185.292 1.266 10 0 ADAERN CCO[C@@H]1C[C@@H](C)NC(=O)N1CC 238265121 573064362 /nfs/dbraw/zinc/06/43/62/573064362.db2.gz QXYHKJVEWZKODJ-HTQZYQBOSA-N 0 0 186.255 1.173 10 0 ADAERN CCOc1cc(C=O)c(N)c(N)c1F 238263665 573064371 /nfs/dbraw/zinc/06/43/71/573064371.db2.gz HPWSBEIILYGHAC-UHFFFAOYSA-N 0 0 198.197 1.201 10 0 ADAERN CCCCCC[C@@H]1COC(=O)[C@@H]1O 308243125 573064393 /nfs/dbraw/zinc/06/43/93/573064393.db2.gz ZXRGREJSZDDSQO-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)=C[C@H]1CNC(=O)C1 114133778 573064394 /nfs/dbraw/zinc/06/43/94/573064394.db2.gz PNYUIEDLSBPYHS-SSDOTTSWSA-N 0 0 139.198 1.089 10 0 ADAERN CCOc1ncc(C)cc1C=O 238264406 573065263 /nfs/dbraw/zinc/06/52/63/573065263.db2.gz QOGWBACSYKMYGU-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN C[NH2+]/C(C)=C/c1cccnc1 104602482 573064414 /nfs/dbraw/zinc/06/44/14/573064414.db2.gz LKTHEYVBDHCVFB-SOFGYWHQSA-N 0 0 148.209 1.662 10 0 ADAERN CCC1(CC)N=C(C)CN1 104606802 573065267 /nfs/dbraw/zinc/06/52/67/573065267.db2.gz KYMVMKNFXQHDAF-UHFFFAOYSA-N 0 0 140.230 1.567 10 0 ADAERN CCC[C@@H]1C/C(=C\C(=O)[O-])CC[N@@H+]1C 238264919 573064528 /nfs/dbraw/zinc/06/45/28/573064528.db2.gz OZRYUYOHNIMBTA-HSTULFTRSA-N 0 0 197.278 1.892 10 0 ADAERN CNc1c(C)cccc1C=O 104603176 573064530 /nfs/dbraw/zinc/06/45/30/573064530.db2.gz YGXPXAJZNAYLDU-UHFFFAOYSA-N 0 0 149.193 1.849 10 0 ADAERN C[C@](CO)(OC=O)c1ccccc1 308242229 573064550 /nfs/dbraw/zinc/06/45/50/573064550.db2.gz ZCNIFKGINPRBFG-SNVBAGLBSA-N 0 0 180.203 1.067 10 0 ADAERN CCc1nc(N)cc2nc[nH]c12 258474772 573064582 /nfs/dbraw/zinc/06/45/82/573064582.db2.gz IRAWEPSMXQXANZ-UHFFFAOYSA-N 0 0 162.196 1.103 10 0 ADAERN C[C@H](CCCO)[C@@H]1COC(C)(C)O1 308243129 573064583 /nfs/dbraw/zinc/06/45/83/573064583.db2.gz ZXSJRLDNCYKIRD-BDAKNGLRSA-N 0 0 188.267 1.547 10 0 ADAERN C[C@H]1CC[C@H](C)NC(=O)C1 104603717 573064591 /nfs/dbraw/zinc/06/45/91/573064591.db2.gz YIDWADMWOOTGER-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN CCCC(=O)OCC(=O)[C@H](C)CC 308244382 573064594 /nfs/dbraw/zinc/06/45/94/573064594.db2.gz ULSBLOJBJFEKRJ-MRVPVSSYSA-N 0 0 186.251 1.945 10 0 ADAERN CCC[C@]1(C)NC(=O)[C@H]2CCCN21 238263658 573064609 /nfs/dbraw/zinc/06/46/09/573064609.db2.gz FKIHVDGUVARRIS-PSASIEDQSA-N 0 0 182.267 1.097 10 0 ADAERN CC(C)/C=C1\CCNC1=O 104604987 573064614 /nfs/dbraw/zinc/06/46/14/573064614.db2.gz FMZZYDDPPJDQBT-FNORWQNLSA-N 0 0 139.198 1.089 10 0 ADAERN CCO[C@@H]1CCC[C@@H](C(N)=O)CC1 238263779 573064624 /nfs/dbraw/zinc/06/46/24/573064624.db2.gz UXGKLOWCRSBUQV-RKDXNWHRSA-N 0 0 185.267 1.457 10 0 ADAERN Nc1ccc2c3c1CCN3CC2 258474804 573064630 /nfs/dbraw/zinc/06/46/30/573064630.db2.gz IRRIHIPKEJBKOO-UHFFFAOYSA-N 0 0 160.220 1.187 10 0 ADAERN O=C(C[C@H]1CCCOC1)OC1CC1 308243982 573064646 /nfs/dbraw/zinc/06/46/46/573064646.db2.gz UCMYGKBHNYEFRR-MRVPVSSYSA-N 0 0 184.235 1.509 10 0 ADAERN CCO[C@@H]1CC[C@H]1[C@@H](O)CC 238264689 573064680 /nfs/dbraw/zinc/06/46/80/573064680.db2.gz CHILXRYIRSCDMK-XHNCKOQMSA-N 0 0 158.241 1.572 10 0 ADAERN CC/C=C\C(=O)NC1(C(F)F)CC1 308244193 573064684 /nfs/dbraw/zinc/06/46/84/573064684.db2.gz UHNCWAQTQHNAQX-ARJAWSKDSA-N 0 0 189.205 1.867 10 0 ADAERN Cc1cccc([C@@H]2CCNN2)c1 258474688 573064685 /nfs/dbraw/zinc/06/46/85/573064685.db2.gz IPIZXXYCMIXXON-JTQLQIEISA-N 0 0 162.236 1.534 10 0 ADAERN CCC[C@@H](C)[C@@H](C)OC(=O)[C@@H](C)O 308244187 573064691 /nfs/dbraw/zinc/06/46/91/573064691.db2.gz UHKUJOKYKYJEFQ-IWSPIJDZSA-N 0 0 188.267 1.735 10 0 ADAERN CC[C@H]1NC(=O)O[C@@H]1CC 104604735 573064733 /nfs/dbraw/zinc/06/47/33/573064733.db2.gz LRLGSRIXILSAIE-PHDIDXHHSA-N 0 0 143.186 1.283 10 0 ADAERN CCN1N=CC(=O)C1C1CC1 258474827 573064762 /nfs/dbraw/zinc/06/47/62/573064762.db2.gz ISANHWDXRSQPKR-UHFFFAOYSA-N 0 0 152.197 1.486 10 0 ADAERN COc1c[nH]cc1C 104606188 573064814 /nfs/dbraw/zinc/06/48/14/573064814.db2.gz KAWOHTPEXDYIOJ-UHFFFAOYSA-N 0 0 111.144 1.332 10 0 ADAERN CCO[C@@H]1CC[C@@H]1[C@@H](O)CC 238264450 573064817 /nfs/dbraw/zinc/06/48/17/573064817.db2.gz CHILXRYIRSCDMK-HRDYMLBCSA-N 0 0 158.241 1.572 10 0 ADAERN CCC(CC)C[NH2+][C@H]1CC[C@@H]1C(=O)[O-] 232859599 573064819 /nfs/dbraw/zinc/06/48/19/573064819.db2.gz FUSPBMOAKOKNRA-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@]1(O)CCNc2cccc(O)c21 257939641 573064820 /nfs/dbraw/zinc/06/48/20/573064820.db2.gz UUAKKXGWTPYWOW-SNVBAGLBSA-N 0 0 179.219 1.415 10 0 ADAERN CCNC(=S)c1ccc(C)cc1N 238264359 573064831 /nfs/dbraw/zinc/06/48/31/573064831.db2.gz ZXGJQKQGSAGFMO-UHFFFAOYSA-N 0 0 194.303 1.862 10 0 ADAERN Cc1cc(=O)[nH]c2[nH]ccc12 104602450 573064834 /nfs/dbraw/zinc/06/48/34/573064834.db2.gz BRCFKGVJXVOBQW-UHFFFAOYSA-N 0 0 148.165 1.577 10 0 ADAERN Cc1ccc(C=O)c(CCCO)c1 257939480 573064851 /nfs/dbraw/zinc/06/48/51/573064851.db2.gz CZXLQCBQNWHXBI-UHFFFAOYSA-N 0 0 178.231 1.732 10 0 ADAERN CC[C@@H]1CC[C@@](CC)(C(=O)[O-])[NH2+]1 238265033 573065282 /nfs/dbraw/zinc/06/52/82/573065282.db2.gz VPVVCADDDZATDQ-APPZFPTMSA-N 0 0 171.240 1.382 10 0 ADAERN Cc1c(O)ccc(C[C@@H](C)O)c1C 257939367 573064859 /nfs/dbraw/zinc/06/48/59/573064859.db2.gz CXKXNJZPBWGCHN-SSDOTTSWSA-N 0 0 180.247 1.932 10 0 ADAERN CCCc1c[nH]c(CC)n1 104614481 573075611 /nfs/dbraw/zinc/07/56/11/573075611.db2.gz LSXICBAPPWKECV-UHFFFAOYSA-N 0 0 138.214 1.925 10 0 ADAERN CCC[C@H](O)[C@@H]1CC12CC2 238263874 573064872 /nfs/dbraw/zinc/06/48/72/573064872.db2.gz XJWQFJJLBCYJAV-YUMQZZPRSA-N 0 0 140.226 1.948 10 0 ADAERN CC(C)CCCn1nncc1CO 308242673 573064876 /nfs/dbraw/zinc/06/48/76/573064876.db2.gz ZNCPXLNUBHHAQE-UHFFFAOYSA-N 0 0 183.255 1.207 10 0 ADAERN CCO[C@@H]1CC[C@H]1C(C)=O 238264669 573064878 /nfs/dbraw/zinc/06/48/78/573064878.db2.gz CHURYFPFDGXQCW-JGVFFNPUSA-N 0 0 142.198 1.391 10 0 ADAERN C[C@H]1NC(=S)OC1(C)C 104603704 573064899 /nfs/dbraw/zinc/06/48/99/573064899.db2.gz GHUICFZSGSZCJS-SCSAIBSYSA-N 0 0 145.227 1.058 10 0 ADAERN CC/C=C\C(=O)NCCOC(C)C 308243290 573064904 /nfs/dbraw/zinc/06/49/04/573064904.db2.gz TUMPXBJDQAZBTL-WAYWQWQTSA-N 0 0 185.267 1.494 10 0 ADAERN COC(=O)COc1ccc(N)cc1C 88077689 573065283 /nfs/dbraw/zinc/06/52/83/573065283.db2.gz OHCKTUMUUUKYTJ-UHFFFAOYSA-N 0 0 195.218 1.129 10 0 ADAERN O=C1C=C2CSCCN2C1 257939435 573065286 /nfs/dbraw/zinc/06/52/86/573065286.db2.gz CZCDMSRHHGMGMZ-UHFFFAOYSA-N 0 0 155.222 1.441 10 0 ADAERN Cc1cc(F)c(F)c(CCO)c1 257939415 573064952 /nfs/dbraw/zinc/06/49/52/573064952.db2.gz CYQGHGWJARQGAP-UHFFFAOYSA-N 0 0 172.174 1.808 10 0 ADAERN CCC[C@@H]1CC(=O)C[C@@H]1O 238265213 573064990 /nfs/dbraw/zinc/06/49/90/573064990.db2.gz SCYQCARFFQTKAI-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN CCO[C@@H]1CC[C@@H]1C(C)=O 238264414 573065006 /nfs/dbraw/zinc/06/50/06/573065006.db2.gz CHURYFPFDGXQCW-HTQZYQBOSA-N 0 0 142.198 1.391 10 0 ADAERN CCNC(=S)c1ccc(O)cc1O 238264413 573065012 /nfs/dbraw/zinc/06/50/12/573065012.db2.gz VPFMPVUMEIEBPN-UHFFFAOYSA-N 0 0 197.259 1.383 10 0 ADAERN O=C(C[C@@H]1CCCOC1)OC1CC1 308243983 573065013 /nfs/dbraw/zinc/06/50/13/573065013.db2.gz UCMYGKBHNYEFRR-QMMMGPOBSA-N 0 0 184.235 1.509 10 0 ADAERN C[C@@H](CCCO)[C@@H]1COC(C)(C)O1 308243131 573065019 /nfs/dbraw/zinc/06/50/19/573065019.db2.gz ZXSJRLDNCYKIRD-IUCAKERBSA-N 0 0 188.267 1.547 10 0 ADAERN CCN(C)C(=O)N(C)c1nccs1 308244257 573065044 /nfs/dbraw/zinc/06/50/44/573065044.db2.gz UKXPIPKZAZRBOX-UHFFFAOYSA-N 0 0 199.279 1.651 10 0 ADAERN CCOC(=O)c1ccc(NCO)cc1 238264441 573065057 /nfs/dbraw/zinc/06/50/57/573065057.db2.gz AFJDJXGUEZOOAD-UHFFFAOYSA-N 0 0 195.218 1.225 10 0 ADAERN C[C@@H]1NCCN(CCC(C)(C)C)C1=O 82476341 573065058 /nfs/dbraw/zinc/06/50/58/573065058.db2.gz JHHXTUZFLRDSJU-VIFPVBQESA-N 0 0 198.310 1.243 10 0 ADAERN CCC[C@H](O)[C@@H]1OC1(C)C 238264001 573065064 /nfs/dbraw/zinc/06/50/64/573065064.db2.gz AFOOHHPWBWFFJU-BQBZGAKWSA-N 0 0 144.214 1.325 10 0 ADAERN C[C@H]1CCCCC(=S)N1 104603695 573065070 /nfs/dbraw/zinc/06/50/70/573065070.db2.gz RAGVLNGTOMDPHP-LURJTMIESA-N 0 0 143.255 1.866 10 0 ADAERN CCOc1cc(CO)cnc1Cl 238265436 573065073 /nfs/dbraw/zinc/06/50/73/573065073.db2.gz ZZCQLMFEDCMNJD-UHFFFAOYSA-N 0 0 187.626 1.626 10 0 ADAERN CC[C@@H]1CC[C@H](C)[C@@H]1O 238265462 573065095 /nfs/dbraw/zinc/06/50/95/573065095.db2.gz ARONFJGCAUJCAF-RNJXMRFFSA-N 0 0 128.215 1.803 10 0 ADAERN O=C1CCNc2ncc(Cl)cc2N1 88077684 573065112 /nfs/dbraw/zinc/06/51/12/573065112.db2.gz FKHXEZDWKRVNQR-UHFFFAOYSA-N 0 0 197.625 1.489 10 0 ADAERN CCC1=C(C)[C@@H](C)NC1=O 104603737 573065123 /nfs/dbraw/zinc/06/51/23/573065123.db2.gz SEMCEFKXMYZIHR-ZCFIWIBFSA-N 0 0 139.198 1.231 10 0 ADAERN C[C@@]1([C@H]2CCCS2)CCC(=O)N1 257939581 573065127 /nfs/dbraw/zinc/06/51/27/573065127.db2.gz USWWCHOSYSSPFX-APPZFPTMSA-N 0 0 185.292 1.551 10 0 ADAERN CCC(CC)c1ncc(OC)c(N)n1 308488547 573065134 /nfs/dbraw/zinc/06/51/34/573065134.db2.gz PJGMRLSVPYTLSI-UHFFFAOYSA-N 0 0 195.266 1.971 10 0 ADAERN Cc1cc(NC=O)ccc1O 88077670 573065143 /nfs/dbraw/zinc/06/51/43/573065143.db2.gz RZNCJNQUQYQHOK-UHFFFAOYSA-N 0 0 151.165 1.269 10 0 ADAERN CCOC(=O)N(CC)OC(C)C 238264444 573065147 /nfs/dbraw/zinc/06/51/47/573065147.db2.gz IPSCVYOQGFRVCV-UHFFFAOYSA-N 0 0 175.228 1.805 10 0 ADAERN C[C@@H]1CCCCC(=S)N1 104603692 573065150 /nfs/dbraw/zinc/06/51/50/573065150.db2.gz RAGVLNGTOMDPHP-ZCFIWIBFSA-N 0 0 143.255 1.866 10 0 ADAERN ONCc1ccc2c(c1F)CCC2 257939370 573065154 /nfs/dbraw/zinc/06/51/54/573065154.db2.gz CXPSYBZVCYGXQP-UHFFFAOYSA-N 0 0 181.210 1.793 10 0 ADAERN CN(O)CC[C@H]1CCCCS1 257939591 573065183 /nfs/dbraw/zinc/06/51/83/573065183.db2.gz USXZCCWHXTXJEF-MRVPVSSYSA-N 0 0 175.297 1.983 10 0 ADAERN CCNC(=S)C(C)C 104603144 573065213 /nfs/dbraw/zinc/06/52/13/573065213.db2.gz FODHMNYRKZTBCV-UHFFFAOYSA-N 0 0 131.244 1.579 10 0 ADAERN CCS(=O)(=O)CNc1ccccc1 238264840 573065223 /nfs/dbraw/zinc/06/52/23/573065223.db2.gz QBXOEWXYIPZIDA-UHFFFAOYSA-N 0 0 199.275 1.491 10 0 ADAERN CCCn1ncnc1[C@H](O)[C@H](C)CC 308495006 573065225 /nfs/dbraw/zinc/06/52/25/573065225.db2.gz SMIMKMRLAYEZBL-RKDXNWHRSA-N 0 0 197.282 1.768 10 0 ADAERN Cc1nc(SCCO)ccc1N 88077722 573065229 /nfs/dbraw/zinc/06/52/29/573065229.db2.gz VHGKPULIEFXFLD-UHFFFAOYSA-N 0 0 184.264 1.057 10 0 ADAERN CCSCNC(=O)OC 104605452 573065232 /nfs/dbraw/zinc/06/52/32/573065232.db2.gz ZGPZXZUXUOYFGZ-UHFFFAOYSA-N 0 0 149.215 1.053 10 0 ADAERN Cc1cc(NC(N)=O)ccc1O 88077708 573065240 /nfs/dbraw/zinc/06/52/40/573065240.db2.gz KIIVFKBIALFSQV-UHFFFAOYSA-N 0 0 166.180 1.191 10 0 ADAERN O=C1CCC(n2ccccc2=O)CC1 114277557 573065246 /nfs/dbraw/zinc/06/52/46/573065246.db2.gz LAHHUZWWRDFVDX-UHFFFAOYSA-N 0 0 191.230 1.533 10 0 ADAERN CCC(C)(CC)NC=O 104604375 573065250 /nfs/dbraw/zinc/06/52/50/573065250.db2.gz VZRREGDVSGKTED-UHFFFAOYSA-N 0 0 129.203 1.311 10 0 ADAERN CCC(=O)[C@](C)(O)CC 114294794 573065573 /nfs/dbraw/zinc/06/55/73/573065573.db2.gz WOYGWXXUASQGEF-SSDOTTSWSA-N 0 0 130.187 1.127 10 0 ADAERN OC[C@H]1CCN(c2ccsc2)C1 85535488 573065643 /nfs/dbraw/zinc/06/56/43/573065643.db2.gz GMFGABPGSKFCOP-QMMMGPOBSA-N 0 0 183.276 1.567 10 0 ADAERN C=Cc1cnc(CO)c(C)c1 209752581 573065495 /nfs/dbraw/zinc/06/54/95/573065495.db2.gz NDDNDXVNTUFEMZ-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN CC[C@@H]1CC[C@@H](C)[C@@H]1O 238264208 573065500 /nfs/dbraw/zinc/06/55/00/573065500.db2.gz ARONFJGCAUJCAF-PRJMDXOYSA-N 0 0 128.215 1.803 10 0 ADAERN CC(C)CCN1CCNC(C)(C)C1=O 82476355 573065521 /nfs/dbraw/zinc/06/55/21/573065521.db2.gz MRPJOENIEUHACF-UHFFFAOYSA-N 0 0 198.310 1.243 10 0 ADAERN CCNC(=S)c1cccc(OC)n1 238264486 573065526 /nfs/dbraw/zinc/06/55/26/573065526.db2.gz BQCGSCSMTQJFRZ-UHFFFAOYSA-N 0 0 196.275 1.375 10 0 ADAERN OC[C@H]1CCCN1c1ccc(F)cc1 259321302 573065532 /nfs/dbraw/zinc/06/55/32/573065532.db2.gz QUQAFXJGMMYUQD-LLVKDONJSA-N 0 0 195.237 1.787 10 0 ADAERN CNC(=O)[C@H](C)Nc1ccsc1 85534835 573065538 /nfs/dbraw/zinc/06/55/38/573065538.db2.gz DIKAPRARCQILOA-LURJTMIESA-N 0 0 184.264 1.295 10 0 ADAERN C[C@]1(c2nnc(N)s2)CCCOC1 258231904 573065540 /nfs/dbraw/zinc/06/55/40/573065540.db2.gz ZPFMUPMFYNLDAD-QMMMGPOBSA-N 0 0 199.279 1.188 10 0 ADAERN CCC[C@@H]1CC(=O)[C@@H](C)CO1 238265422 573065556 /nfs/dbraw/zinc/06/55/56/573065556.db2.gz PRPMTJBGIXMQGA-JGVFFNPUSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1ccc2c(N)ccc(N)c2n1 88077694 573065559 /nfs/dbraw/zinc/06/55/59/573065559.db2.gz NDKSLUVVGQFYNE-UHFFFAOYSA-N 0 0 173.219 1.708 10 0 ADAERN C[C@]1(O)CCNc2cccc(O)c21 257939639 573065600 /nfs/dbraw/zinc/06/56/00/573065600.db2.gz UUAKKXGWTPYWOW-JTQLQIEISA-N 0 0 179.219 1.415 10 0 ADAERN CCO[C@@H]1CC[C@@H](C)C(=O)C1 238264177 573065604 /nfs/dbraw/zinc/06/56/04/573065604.db2.gz BJFHILIESXBHMH-HTQZYQBOSA-N 0 0 156.225 1.781 10 0 ADAERN CCNC(=O)CNc1ccsc1 85534560 573065630 /nfs/dbraw/zinc/06/56/30/573065630.db2.gz WVYIHIQHSYHTBP-UHFFFAOYSA-N 0 0 184.264 1.296 10 0 ADAERN Cc1cn(CCCCC(N)=O)cc1C 308494440 573065640 /nfs/dbraw/zinc/06/56/40/573065640.db2.gz SHQLXHDMSUNBQV-UHFFFAOYSA-N 0 0 194.278 1.761 10 0 ADAERN CC[C@](C)(O)[C@@H](C)C(C)=O 114293151 573065681 /nfs/dbraw/zinc/06/56/81/573065681.db2.gz LVNRFVSHPNTRQK-XPUUQOCRSA-N 0 0 144.214 1.373 10 0 ADAERN C/C=C\C[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1C 308488838 573065684 /nfs/dbraw/zinc/06/56/84/573065684.db2.gz OHZLYDGBACCOKD-QKMQQOOLSA-N 0 0 197.278 1.748 10 0 ADAERN CCOc1cc(C=O)ccc1N 238263872 573065694 /nfs/dbraw/zinc/06/56/94/573065694.db2.gz YRBUUIVWSCQCGW-UHFFFAOYSA-N 0 0 165.192 1.480 10 0 ADAERN COC(=O)c1[nH]c(C)c(N)c1C 257939318 573065699 /nfs/dbraw/zinc/06/56/99/573065699.db2.gz CWGZQBHAEZCBLY-UHFFFAOYSA-N 0 0 168.196 1.000 10 0 ADAERN C[C@H](O)CNc1ccsc1 85534803 573065716 /nfs/dbraw/zinc/06/57/16/573065716.db2.gz GPJSBOCEXSPWRT-LURJTMIESA-N 0 0 157.238 1.541 10 0 ADAERN CN1CC[C@H](Nc2ccsc2)C1=O 85534582 573065722 /nfs/dbraw/zinc/06/57/22/573065722.db2.gz KTPYFXJCZDUPLC-QMMMGPOBSA-N 0 0 196.275 1.391 10 0 ADAERN C[C@H]1CNc2c(CCO)cccc21 257939388 573065755 /nfs/dbraw/zinc/06/57/55/573065755.db2.gz DMAFXCMLOVFZHU-QMMMGPOBSA-N 0 0 177.247 1.750 10 0 ADAERN CC[C@](C)(O)[C@H](C)C(C)=O 114293154 573065761 /nfs/dbraw/zinc/06/57/61/573065761.db2.gz LVNRFVSHPNTRQK-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN NN=c1ccc2sccc2[nH]1 85535512 573065774 /nfs/dbraw/zinc/06/57/74/573065774.db2.gz YNJLLNBIJQECDD-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN CCOC(=O)c1ccc(F)o1 238263649 573065785 /nfs/dbraw/zinc/06/57/85/573065785.db2.gz OJXMJKGNGKJDPI-UHFFFAOYSA-N 0 0 158.128 1.595 10 0 ADAERN C=Cc1nc(C)ccc1N 209757807 573065787 /nfs/dbraw/zinc/06/57/87/573065787.db2.gz DFALBHZORKTQKI-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN OCCOCCNc1ccsc1 85534877 573065788 /nfs/dbraw/zinc/06/57/88/573065788.db2.gz WQFAPIDJPNLHKW-UHFFFAOYSA-N 0 0 187.264 1.169 10 0 ADAERN CC[C@@H](O)/C=C/C(C)C 238264587 573065792 /nfs/dbraw/zinc/06/57/92/573065792.db2.gz LPKMOBJRIAJMCQ-HQZHTGGTSA-N 0 0 128.215 1.970 10 0 ADAERN CC[C@@H]1CC[C@H]2CC(=O)C[N@@H+]2C1 238263866 573065819 /nfs/dbraw/zinc/06/58/19/573065819.db2.gz UGNRBIYALYKMGS-BDAKNGLRSA-N 0 0 167.252 1.450 10 0 ADAERN CC[C@H](C)ONC(=O)c1cocn1 308246071 573065829 /nfs/dbraw/zinc/06/58/29/573065829.db2.gz VVAPPYQNBZXZSG-LURJTMIESA-N 0 0 184.195 1.135 10 0 ADAERN CC[C@@](C)(O)[C@H](C)C(C)=O 114293153 573065836 /nfs/dbraw/zinc/06/58/36/573065836.db2.gz LVNRFVSHPNTRQK-HTRCEHHLSA-N 0 0 144.214 1.373 10 0 ADAERN CC[C@@H]1CC[C@@H](C)O[C@@H]1O 238264122 573065862 /nfs/dbraw/zinc/06/58/62/573065862.db2.gz CPLQXAQZXFTNPM-PRJMDXOYSA-N 0 0 144.214 1.530 10 0 ADAERN CCOc1cc(CC)nc(N)n1 238264448 573065883 /nfs/dbraw/zinc/06/58/83/573065883.db2.gz WBGXQBPFVPMQNR-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN CCC[C@@H]1CC(=O)C[C@H]1O 238265244 573065891 /nfs/dbraw/zinc/06/58/91/573065891.db2.gz SCYQCARFFQTKAI-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN O=C1CCN(c2ccsc2)CC1 85534889 573065915 /nfs/dbraw/zinc/06/59/15/573065915.db2.gz CLGHHDUPCJWDOF-UHFFFAOYSA-N 0 0 181.260 1.917 10 0 ADAERN CCCOC(=O)C=C1CCOCC1 308245911 573065928 /nfs/dbraw/zinc/06/59/28/573065928.db2.gz VREQYCKMVIDRDL-UHFFFAOYSA-N 0 0 184.235 1.676 10 0 ADAERN CCC[C@H](O)[C@H]1CCCC(=O)C1 238264994 573066353 /nfs/dbraw/zinc/06/63/53/573066353.db2.gz XPLOSNHEUARNSO-WPRPVWTQSA-N 0 0 170.252 1.907 10 0 ADAERN OCCCNc1ccsc1 85534610 573065951 /nfs/dbraw/zinc/06/59/51/573065951.db2.gz LIQIHRNCOHVJMK-UHFFFAOYSA-N 0 0 157.238 1.542 10 0 ADAERN O=C1C=CC(=O)N1c1ccsc1 85534947 573065977 /nfs/dbraw/zinc/06/59/77/573065977.db2.gz CQAXKGDEEBYWJW-UHFFFAOYSA-N 0 0 179.200 1.178 10 0 ADAERN COc1ccc2ncccc2n1 114246131 573065979 /nfs/dbraw/zinc/06/59/79/573065979.db2.gz XYBYNVQWRLVUCY-UHFFFAOYSA-N 0 0 160.176 1.638 10 0 ADAERN Cc1ccc(O)c(CON)c1F 257939437 573065982 /nfs/dbraw/zinc/06/59/82/573065982.db2.gz CZDBFAMOYJEBAS-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN CCCC(=O)Oc1cccc[n+]1[O-] 308246318 573065988 /nfs/dbraw/zinc/06/59/88/573065988.db2.gz WDOVDHAQZLDBRK-UHFFFAOYSA-N 0 0 181.191 1.026 10 0 ADAERN CCC[C@H](O)[C@@H]1CCCC(=O)C1 238263907 573065994 /nfs/dbraw/zinc/06/59/94/573065994.db2.gz XPLOSNHEUARNSO-SCZZXKLOSA-N 0 0 170.252 1.907 10 0 ADAERN CCO[C@@H]1CC[C@@H](C(C)=O)O1 238264143 573066027 /nfs/dbraw/zinc/06/60/27/573066027.db2.gz UAEKDWVHTMTALY-YUMQZZPRSA-N 0 0 158.197 1.117 10 0 ADAERN CC(C)[C@H]1CO[C@@H](C(F)(F)F)N1 114266725 573066062 /nfs/dbraw/zinc/06/60/62/573066062.db2.gz JLMJFFHXSADZTF-RITPCOANSA-N 0 0 183.173 1.519 10 0 ADAERN CCOc1nccc(N)c1C1CC1 238265460 573066072 /nfs/dbraw/zinc/06/60/72/573066072.db2.gz OPPIMNLHCDTRFG-UHFFFAOYSA-N 0 0 178.235 1.940 10 0 ADAERN CC[C@@]1(C)C[C@@H](C)NC1=O 104611161 573066095 /nfs/dbraw/zinc/06/60/95/573066095.db2.gz ILTAJRFMTCMYPU-SVRRBLITSA-N 0 0 141.214 1.311 10 0 ADAERN CN1CNCc2ccccc21 104611207 573066106 /nfs/dbraw/zinc/06/61/06/573066106.db2.gz BIVLCLLZFCYRPL-UHFFFAOYSA-N 0 0 148.209 1.184 10 0 ADAERN CCCOC(=O)[C@H](O)C1CCCC1 308494291 573066122 /nfs/dbraw/zinc/06/61/22/573066122.db2.gz SRJOTBYWGNBJFL-SECBINFHSA-N 0 0 186.251 1.491 10 0 ADAERN CNC(=O)CCNc1ccsc1 85534566 573066128 /nfs/dbraw/zinc/06/61/28/573066128.db2.gz LFMCERGZBANFSZ-UHFFFAOYSA-N 0 0 184.264 1.296 10 0 ADAERN CC[C@]1(C)N=C(C)[C@H](C)N1 104608403 573066146 /nfs/dbraw/zinc/06/61/46/573066146.db2.gz OXRSKWCYRLVCIF-XPUUQOCRSA-N 0 0 140.230 1.565 10 0 ADAERN CCc1c(C)nc2scnn12 222730408 573066155 /nfs/dbraw/zinc/06/61/55/573066155.db2.gz MRLUBFDNVYVDTO-UHFFFAOYSA-N 0 0 167.237 1.662 10 0 ADAERN CCCC[C@H](O)C(=O)N(C)CCC 308245618 573066183 /nfs/dbraw/zinc/06/61/83/573066183.db2.gz VLXCVOSSNDKXBP-VIFPVBQESA-N 0 0 187.283 1.406 10 0 ADAERN CCC[C@H](O)[C@H]1CCC[C@@H]1O 238265029 573066194 /nfs/dbraw/zinc/06/61/94/573066194.db2.gz OKJDLBYVVNBUFD-VGMNWLOBSA-N 0 0 158.241 1.308 10 0 ADAERN CC/C=C\[C@H](CC)C(N)=O 211963207 573066219 /nfs/dbraw/zinc/06/62/19/573066219.db2.gz FPQDGCIRUXLVSK-RBSILHGTSA-N 0 0 141.214 1.464 10 0 ADAERN COCc1ccccc1[C@H](C)CO 257939359 573066271 /nfs/dbraw/zinc/06/62/71/573066271.db2.gz CXIMYYVBSYXSSZ-SECBINFHSA-N 0 0 180.247 1.929 10 0 ADAERN CC1=CNC(=O)C[C@@H](C)C1 104608528 573066289 /nfs/dbraw/zinc/06/62/89/573066289.db2.gz CKXGVOAJPIPVSM-LURJTMIESA-N 0 0 139.198 1.436 10 0 ADAERN Nc1nc(OCCC2CC2)ncc1F 308488598 573066291 /nfs/dbraw/zinc/06/62/91/573066291.db2.gz OMCGIDRJWKVMPX-UHFFFAOYSA-N 0 0 197.213 1.377 10 0 ADAERN C[C@@H](CNc1ccsc1)C(N)=O 85534674 573066309 /nfs/dbraw/zinc/06/63/09/573066309.db2.gz MPXKSYSMCJWHGP-LURJTMIESA-N 0 0 184.264 1.281 10 0 ADAERN CC[C@@H]1CC[C@@](C)(O)[C@@H]1C(C)=O 238265024 573066320 /nfs/dbraw/zinc/06/63/20/573066320.db2.gz DGOYXPZXLGKPEE-OPRDCNLKSA-N 0 0 170.252 1.763 10 0 ADAERN N#CNc1ccsc1 85534883 573066361 /nfs/dbraw/zinc/06/63/61/573066361.db2.gz RXUGGHSDFLKDHJ-UHFFFAOYSA-N 0 0 124.168 1.641 10 0 ADAERN CSc1ccc2ncc(=O)[nH]c2c1 114241485 573066410 /nfs/dbraw/zinc/06/64/10/573066410.db2.gz ZFLAIPYFXIZINY-UHFFFAOYSA-N 0 0 192.243 1.645 10 0 ADAERN CC(C)OCC(C)(C)CO 88100128 573066414 /nfs/dbraw/zinc/06/64/14/573066414.db2.gz HPAHMHPNTXBINA-UHFFFAOYSA-N 0 0 146.230 1.430 10 0 ADAERN O=C1CCN(c2ccsc2)C1=O 85534887 573066434 /nfs/dbraw/zinc/06/64/34/573066434.db2.gz IIPUJJAJCCMBTD-UHFFFAOYSA-N 0 0 181.216 1.054 10 0 ADAERN CC(C)(CO)COC(F)F 88100068 573066483 /nfs/dbraw/zinc/06/64/83/573066483.db2.gz ULOAUPQWDXXMEK-UHFFFAOYSA-N 0 0 154.156 1.244 10 0 ADAERN OC[C@@H]1CCN(c2ccsc2)C1 85535489 573066485 /nfs/dbraw/zinc/06/64/85/573066485.db2.gz GMFGABPGSKFCOP-MRVPVSSYSA-N 0 0 183.276 1.567 10 0 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573067369 /nfs/dbraw/zinc/06/73/69/573067369.db2.gz ZGBWDUNQLZPIFY-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN Clc1nnnc2ccccc12 114190050 573067377 /nfs/dbraw/zinc/06/73/77/573067377.db2.gz UOFRIOBBKCYSFM-UHFFFAOYSA-N 0 0 165.583 1.678 10 0 ADAERN O=C1C[C@H]([C@@H]2CCCSC2)CN1 257939571 573067381 /nfs/dbraw/zinc/06/73/81/573067381.db2.gz USSSFMXTOQOZBI-SFYZADRCSA-N 0 0 185.292 1.266 10 0 ADAERN CC1=CNC(=O)C[C@H](C)C1 104608524 573067387 /nfs/dbraw/zinc/06/73/87/573067387.db2.gz CKXGVOAJPIPVSM-ZCFIWIBFSA-N 0 0 139.198 1.436 10 0 ADAERN C[C@H]1CCC(=O)N[C@H](C)C1 104611169 573067413 /nfs/dbraw/zinc/06/74/13/573067413.db2.gz WIEGQHLPPOJGGN-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN C=Cc1cnnn1C(C)C 259321757 573067414 /nfs/dbraw/zinc/06/74/14/573067414.db2.gz ODGKLSWQQFPQDY-UHFFFAOYSA-N 0 0 137.186 1.502 10 0 ADAERN COc1ccc2ccc(=O)cc-2[nH]1 114246176 573067462 /nfs/dbraw/zinc/06/74/62/573067462.db2.gz IPULWSXWQGKPLL-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN C[C@@H](Nc1ccsc1)C(N)=O 85534557 573067467 /nfs/dbraw/zinc/06/74/67/573067467.db2.gz FQKGOYCPLXHUPH-RXMQYKEDSA-N 0 0 170.237 1.034 10 0 ADAERN CC[C@@H]1N=C(C)C[C@@H](C)N1 104609119 573067469 /nfs/dbraw/zinc/06/74/69/573067469.db2.gz KKCDTOMNCNHRLQ-SVRRBLITSA-N 0 0 140.230 1.565 10 0 ADAERN CONCc1cccc2oncc12 257939356 573067477 /nfs/dbraw/zinc/06/74/77/573067477.db2.gz CXGUZCGNTHPTAJ-UHFFFAOYSA-N 0 0 178.191 1.479 10 0 ADAERN CC[C@@H](O)CNc1ccsc1 85534528 573067490 /nfs/dbraw/zinc/06/74/90/573067490.db2.gz ULSZTUPOJMPSCQ-MRVPVSSYSA-N 0 0 171.265 1.931 10 0 ADAERN CC[C@@H](F)COC(=O)CCC(C)=O 308246957 573067511 /nfs/dbraw/zinc/06/75/11/573067511.db2.gz WUPXPNFPDUEASV-MRVPVSSYSA-N 0 0 190.214 1.647 10 0 ADAERN COCc1cc(=O)c2sccc2[nH]1 85535267 573067517 /nfs/dbraw/zinc/06/75/17/573067517.db2.gz YRJMOLWFTGEUEG-UHFFFAOYSA-N 0 0 195.243 1.736 10 0 ADAERN Cc1c(O)ccc(C[C@H](C)O)c1C 257939369 573067531 /nfs/dbraw/zinc/06/75/31/573067531.db2.gz CXKXNJZPBWGCHN-ZETCQYMHSA-N 0 0 180.247 1.932 10 0 ADAERN CC(C)[C@@H](C)Oc1ccncc1CO 88110551 573067532 /nfs/dbraw/zinc/06/75/32/573067532.db2.gz NSFFUATWKOXPDD-SECBINFHSA-N 0 0 195.262 1.997 10 0 ADAERN O=Cc1cc[n+]([O-])c2ccccc12 114278860 573067600 /nfs/dbraw/zinc/06/76/00/573067600.db2.gz PGGXMFCQSYMXOD-UHFFFAOYSA-N 0 0 173.171 1.286 10 0 ADAERN CC[C@H](O)CNc1ccsc1 85534527 573067557 /nfs/dbraw/zinc/06/75/57/573067557.db2.gz ULSZTUPOJMPSCQ-QMMMGPOBSA-N 0 0 171.265 1.931 10 0 ADAERN Oc1ccc2c(c1)C1(CC1)[C@@H](O)CC2 259322022 573067559 /nfs/dbraw/zinc/06/75/59/573067559.db2.gz OGTLNRHJFNQVGO-NSHDSACASA-N 0 0 190.242 1.731 10 0 ADAERN CN(O)CC[C@@H]1CCCCS1 257939593 573067604 /nfs/dbraw/zinc/06/76/04/573067604.db2.gz USXZCCWHXTXJEF-QMMMGPOBSA-N 0 0 175.297 1.983 10 0 ADAERN C[NH2+]Cc1c[nH+]c(C)cc1N(C)C 88114793 573067595 /nfs/dbraw/zinc/06/75/95/573067595.db2.gz MRMCGYVGHKUCFH-UHFFFAOYSA-N 0 0 179.267 1.175 10 0 ADAERN CCCOCc1c[nH]cn1 104610375 573067596 /nfs/dbraw/zinc/06/75/96/573067596.db2.gz NMOWQNLIPWPONN-UHFFFAOYSA-N 0 0 140.186 1.336 10 0 ADAERN CC[C@@]1(C)N=C(C)[C@@H](C)N1 104608391 573067640 /nfs/dbraw/zinc/06/76/40/573067640.db2.gz OXRSKWCYRLVCIF-HTRCEHHLSA-N 0 0 140.230 1.565 10 0 ADAERN C=CNC(C)=S 104608606 573067727 /nfs/dbraw/zinc/06/77/27/573067727.db2.gz RDMXRMJBFANRSZ-UHFFFAOYSA-N 0 0 101.174 1.067 10 0 ADAERN O=C1CCC(n2ccnc2)CC1 114276874 573067731 /nfs/dbraw/zinc/06/77/31/573067731.db2.gz NQVHCPLZSAGDBT-UHFFFAOYSA-N 0 0 164.208 1.567 10 0 ADAERN Cc1cc2sccc2[nH]c1=NN 85535452 573067751 /nfs/dbraw/zinc/06/77/51/573067751.db2.gz GIDXUGYZKZJWIP-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN C=CC(=O)N1CCC[C@@H](C)CC1 82489775 573067755 /nfs/dbraw/zinc/06/77/55/573067755.db2.gz HEPBMXIDLQURQD-SECBINFHSA-N 0 0 167.252 1.821 10 0 ADAERN O=C1CCN(c2ccsc2)C1 85534890 573067760 /nfs/dbraw/zinc/06/77/60/573067760.db2.gz BHFWXSJABYSYLB-UHFFFAOYSA-N 0 0 167.233 1.527 10 0 ADAERN C[C@@]1([C@@H]2CCCS2)CCC(=O)N1 257939583 573067765 /nfs/dbraw/zinc/06/77/65/573067765.db2.gz USWWCHOSYSSPFX-CBAPKCEASA-N 0 0 185.292 1.551 10 0 ADAERN Cn1nccc1-c1ccc[nH]1 259322012 573067771 /nfs/dbraw/zinc/06/77/71/573067771.db2.gz RVVCHJBNZBQBFX-UHFFFAOYSA-N 0 0 147.181 1.415 10 0 ADAERN C[C@@H]1C=C(c2ccccc2)C(=O)N1 222724941 573067808 /nfs/dbraw/zinc/06/78/08/573067808.db2.gz ZTIAYFGLLUOHDF-MRVPVSSYSA-N 0 0 173.215 1.588 10 0 ADAERN CCN(C)C(=O)NCC1(F)CCC1 308245435 573067821 /nfs/dbraw/zinc/06/78/21/573067821.db2.gz VEYDFPNSJKROCQ-UHFFFAOYSA-N 0 0 188.246 1.540 10 0 ADAERN CCCN(C)C(=O)CC1(CO)CC1 308245448 573067825 /nfs/dbraw/zinc/06/78/25/573067825.db2.gz VFKBOUSMPFGVPG-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN Cc1cc(NC2CC2)c(C(=O)[O-])c[nH+]1 88109631 573067839 /nfs/dbraw/zinc/06/78/39/573067839.db2.gz MJGYXFLTRSZMAA-UHFFFAOYSA-N 0 0 192.218 1.663 10 0 ADAERN C=Cc1ccc(C)nc1CO 209756366 573067844 /nfs/dbraw/zinc/06/78/44/573067844.db2.gz KMQNBBPVHSBTHM-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN CNC(=O)CC(C)(C)Cl 104607741 573067867 /nfs/dbraw/zinc/06/78/67/573067867.db2.gz QWFSGOCYBNMSPR-UHFFFAOYSA-N 0 0 149.621 1.140 10 0 ADAERN CC[C@H](F)COC(=O)CCC(C)=O 308246958 573067876 /nfs/dbraw/zinc/06/78/76/573067876.db2.gz WUPXPNFPDUEASV-QMMMGPOBSA-N 0 0 190.214 1.647 10 0 ADAERN CCCC(C)(C)CC(=O)OCCO 308246590 573067893 /nfs/dbraw/zinc/06/78/93/573067893.db2.gz WMEQRVIVWXWBPR-UHFFFAOYSA-N 0 0 188.267 1.738 10 0 ADAERN C[NH2+][C@H](CCCC(=O)[O-])C(C)(C)C 259321410 573067916 /nfs/dbraw/zinc/06/79/16/573067916.db2.gz JRWUJGLLZLOKHN-MRVPVSSYSA-N 0 0 187.283 1.875 10 0 ADAERN CCC[C@H](C)NC(=O)c1ccno1 308494294 573067968 /nfs/dbraw/zinc/06/79/68/573067968.db2.gz SRUSAGIQLQHCNV-ZETCQYMHSA-N 0 0 182.223 1.593 10 0 ADAERN CC[C@]1(C)N=C(C)[C@@H](C)N1 104608396 573067988 /nfs/dbraw/zinc/06/79/88/573067988.db2.gz OXRSKWCYRLVCIF-SVRRBLITSA-N 0 0 140.230 1.565 10 0 ADAERN C[NH2+][C@H](C1CCC1)[C@@H]1C[C@H]1C(=O)[O-] 259321402 573067990 /nfs/dbraw/zinc/06/79/90/573067990.db2.gz JRVFABAWZBMOKO-IWSPIJDZSA-N 0 0 183.251 1.095 10 0 ADAERN COCc1ccccc1[C@@H](C)CO 257939360 573067995 /nfs/dbraw/zinc/06/79/95/573067995.db2.gz CXIMYYVBSYXSSZ-VIFPVBQESA-N 0 0 180.247 1.929 10 0 ADAERN CCCn1ncnc1[C@H](O)[C@@H](C)CC 308495004 573068001 /nfs/dbraw/zinc/06/80/01/573068001.db2.gz SMIMKMRLAYEZBL-DTWKUNHWSA-N 0 0 197.282 1.768 10 0 ADAERN Cc1cnn(-c2ccncc2CO)c1 88110366 573068037 /nfs/dbraw/zinc/06/80/37/573068037.db2.gz PEHPQFBFNIRWEC-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CCCN(Cc1ccco1)C(N)=O 308246382 573068057 /nfs/dbraw/zinc/06/80/57/573068057.db2.gz WHEDNPNDFYFXHY-UHFFFAOYSA-N 0 0 182.223 1.570 10 0 ADAERN Cc1ccn(-c2ccncc2CO)n1 88110381 573068065 /nfs/dbraw/zinc/06/80/65/573068065.db2.gz DSDPTHGHEFRBTC-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CC(C)NC(=O)CNc1ccsc1 85534677 573068082 /nfs/dbraw/zinc/06/80/82/573068082.db2.gz LEOGUZLKGXOTBG-UHFFFAOYSA-N 0 0 198.291 1.685 10 0 ADAERN C=Cc1cc(C)ncc1O 209752051 573068105 /nfs/dbraw/zinc/06/81/05/573068105.db2.gz UAJVWSWNOGTRJE-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccsc1 85528790 573068110 /nfs/dbraw/zinc/06/81/10/573068110.db2.gz VVTFSXBWKHXYML-ZCFIWIBFSA-N 0 0 185.248 1.722 10 0 ADAERN CCN(OC)C(=O)[C@@H]1C[C@H]1C1CC1 308245677 573068167 /nfs/dbraw/zinc/06/81/67/573068167.db2.gz VNQQPUBLVIYEBV-DTWKUNHWSA-N 0 0 183.251 1.442 10 0 ADAERN Cc1nc2cc(OCCO)ccc2o1 259320547 573068173 /nfs/dbraw/zinc/06/81/73/573068173.db2.gz CORPFFGTEJOYEX-UHFFFAOYSA-N 0 0 193.202 1.507 10 0 ADAERN CC/C=C\C(=O)N[C@]1(C)CCOC1 308245876 573068174 /nfs/dbraw/zinc/06/81/74/573068174.db2.gz VPVBKFHMQWWUFA-UMCURTJPSA-N 0 0 183.251 1.248 10 0 ADAERN C[C@@H](NC1COC1)c1ccccc1F 82488390 573068250 /nfs/dbraw/zinc/06/82/50/573068250.db2.gz WAQZGCGWJZDOEY-MRVPVSSYSA-N 0 0 195.237 1.875 10 0 ADAERN Cc1c(O)cccc1C(C)(C)CO 257939484 573068286 /nfs/dbraw/zinc/06/82/86/573068286.db2.gz DAHFMWAMSJAYQH-UHFFFAOYSA-N 0 0 180.247 1.971 10 0 ADAERN CCCc1nn([C@H](C)CC)c(=O)o1 308245877 573068319 /nfs/dbraw/zinc/06/83/19/573068319.db2.gz VPWUUYMDNHZXSE-SSDOTTSWSA-N 0 0 184.239 1.760 10 0 ADAERN CC[C@]1(C)C[C@H](C)NC1=O 104611153 573068338 /nfs/dbraw/zinc/06/83/38/573068338.db2.gz ILTAJRFMTCMYPU-POYBYMJQSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@H](CNc1ccsc1)C(N)=O 85534675 573068351 /nfs/dbraw/zinc/06/83/51/573068351.db2.gz MPXKSYSMCJWHGP-ZCFIWIBFSA-N 0 0 184.264 1.281 10 0 ADAERN CC[C@@H]1CC[C@H](O)O[C@@H]1C 238266033 573068378 /nfs/dbraw/zinc/06/83/78/573068378.db2.gz FLTIDPIWFRGXMW-BWZBUEFSSA-N 0 0 144.214 1.530 10 0 ADAERN NNc1ccnc2ccsc12 85535370 573068383 /nfs/dbraw/zinc/06/83/83/573068383.db2.gz ULNLJVGHQNDATP-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN CC[C@@H]1CNC(=O)[C@H]1CC 104608378 573068396 /nfs/dbraw/zinc/06/83/96/573068396.db2.gz VCTFZFKNGXNHII-RQJHMYQMSA-N 0 0 141.214 1.169 10 0 ADAERN CC/C=C/C(=O)NCc1cocn1 308246949 573068431 /nfs/dbraw/zinc/06/84/31/573068431.db2.gz WUGJGOVOVGRWLS-ONEGZZNKSA-N 0 0 180.207 1.257 10 0 ADAERN CC[C@H](Nc1ccsc1)C(N)=O 85534539 573068432 /nfs/dbraw/zinc/06/84/32/573068432.db2.gz ZUJJPYMTCMDMJW-ZETCQYMHSA-N 0 0 184.264 1.424 10 0 ADAERN Nc1c(Cl)cnn1C1CCC1 88117511 573068436 /nfs/dbraw/zinc/06/84/36/573068436.db2.gz YTMMTGAXLZRXOM-UHFFFAOYSA-N 0 0 171.631 1.844 10 0 ADAERN CC(=S)NCC(C)(C)C 104610649 573068440 /nfs/dbraw/zinc/06/84/40/573068440.db2.gz FTWMEKJXDHUGHN-UHFFFAOYSA-N 0 0 145.271 1.969 10 0 ADAERN c1cc(NC2COC2)cs1 85534629 573068441 /nfs/dbraw/zinc/06/84/41/573068441.db2.gz ZWODXIZSLCIOQP-UHFFFAOYSA-N 0 0 155.222 1.559 10 0 ADAERN CC/C=C\C(=O)O[C@@]1(C)CCOC1 308247162 573068456 /nfs/dbraw/zinc/06/84/56/573068456.db2.gz XDWHHDIXKWUWHE-LWTINBJPSA-N 0 0 184.235 1.675 10 0 ADAERN CCNC(=O)[C@H](C)Nc1ccsc1 85534693 573068469 /nfs/dbraw/zinc/06/84/69/573068469.db2.gz WFXFULIHNHNXCJ-ZETCQYMHSA-N 0 0 198.291 1.685 10 0 ADAERN O=c1[nH][nH]c(=S)n1-c1ccsc1 85535417 573068488 /nfs/dbraw/zinc/06/84/88/573068488.db2.gz HNMWWJCDPCDQRI-UHFFFAOYSA-N 0 0 199.260 1.285 10 0 ADAERN C=Cc1cc(CO)cc(C)n1 209753488 573068496 /nfs/dbraw/zinc/06/84/96/573068496.db2.gz MQUYZOOCPDPGAQ-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN C=Cc1cnc(C=O)c(C)c1 209752483 573068511 /nfs/dbraw/zinc/06/85/11/573068511.db2.gz WBYGDNCAULVEBX-UHFFFAOYSA-N 0 0 147.177 1.846 10 0 ADAERN CCCNC(=O)c1cnccc1Cl 88109143 573068514 /nfs/dbraw/zinc/06/85/14/573068514.db2.gz QYVDHVFJIZEJPU-UHFFFAOYSA-N 0 0 198.653 1.875 10 0 ADAERN C=CNC(=S)CC 104608614 573068517 /nfs/dbraw/zinc/06/85/17/573068517.db2.gz FHJUWURQWCKLAT-UHFFFAOYSA-N 0 0 115.201 1.457 10 0 ADAERN CCCCC(=O)NC[C@H](C)OCC 308245628 573068518 /nfs/dbraw/zinc/06/85/18/573068518.db2.gz VMCNLEPHMZKAJL-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN Cc1cc(N2CCCC2)c(C[NH3+])c[nH+]1 88114636 573068534 /nfs/dbraw/zinc/06/85/34/573068534.db2.gz URGAYVLJSQUIRC-UHFFFAOYSA-N 0 0 191.278 1.449 10 0 ADAERN C[C@@H]1SC(=O)N[C@@H]1C 104610359 573068539 /nfs/dbraw/zinc/06/85/39/573068539.db2.gz RZAQYOUYUXFWNE-DMTCNVIQSA-N 0 0 131.200 1.220 10 0 ADAERN Nc1cccc(C2CCC(=O)CC2)n1 114262590 573068558 /nfs/dbraw/zinc/06/85/58/573068558.db2.gz PLPYFDYELOJEAS-UHFFFAOYSA-N 0 0 190.246 1.891 10 0 ADAERN CC/C=C\C(=O)O[C@]1(C)CCOC1 308247164 573068567 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CO[C@@H](C(C)C)[C@@H](NN)c1ccc[nH]1 308489408 573071353 /nfs/dbraw/zinc/07/13/53/573071353.db2.gz PYFLJQHQQXBDRG-UWVGGRQHSA-N 0 0 197.282 1.190 10 0 ADAERN CC[C@@H](O)C=C=C[C@H](O)CC 238268449 573071355 /nfs/dbraw/zinc/07/13/55/573071355.db2.gz KRHSMYSIYPSFIC-UAPGCUKTSA-N 0 0 156.225 1.240 10 0 ADAERN CC[C@@H]1C(=O)N[C@@H]1[C@@H]1CCCC[C@@H]1O 238268448 573071379 /nfs/dbraw/zinc/07/13/79/573071379.db2.gz ZCXSPTFXNPBCLL-JXUBOQSCSA-N 0 0 197.278 1.062 10 0 ADAERN CC[C@@H](O)C1=NCc2ccccc2N1 238268289 573071385 /nfs/dbraw/zinc/07/13/85/573071385.db2.gz UWZYSDGTAHJDGY-SNVBAGLBSA-N 0 0 190.246 1.591 10 0 ADAERN CC/C=C\COC(=O)C1=COCC1 308488898 573071389 /nfs/dbraw/zinc/07/13/89/573071389.db2.gz QICVUISMVOESFR-ARJAWSKDSA-N 0 0 182.219 1.800 10 0 ADAERN CCC[C@H]1C[C@@H](C)C(=O)N1 104615335 573071903 /nfs/dbraw/zinc/07/19/03/573071903.db2.gz IIONUXNYEFURRB-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN CN(c1ccncc1C[NH3+])C1CC1 88114886 573071480 /nfs/dbraw/zinc/07/14/80/573071480.db2.gz ZEENHYJRJRDJMH-UHFFFAOYSA-N 0 0 177.251 1.139 10 0 ADAERN CC[NH2+]Cc1ncc(F)cc1F 238267764 573071506 /nfs/dbraw/zinc/07/15/06/573071506.db2.gz DWLNHZPQYDWEBI-UHFFFAOYSA-N 0 0 172.178 1.469 10 0 ADAERN CC(C)N(C)c1ccncc1C[NH3+] 88114758 573071531 /nfs/dbraw/zinc/07/15/31/573071531.db2.gz CPNURPBUZPSNGU-UHFFFAOYSA-N 0 0 179.267 1.385 10 0 ADAERN CNc1ccc(C)ccc1=O 104615849 573071538 /nfs/dbraw/zinc/07/15/38/573071538.db2.gz ITLNVMAUUPOLKN-UHFFFAOYSA-N 0 0 149.193 1.397 10 0 ADAERN COC(=O)N(C[C@H](C)OC)C(C)C 308489991 573071543 /nfs/dbraw/zinc/07/15/43/573071543.db2.gz QRMRRJOKTRGWGM-QMMMGPOBSA-N 0 0 189.255 1.498 10 0 ADAERN CCC[C@@H]1CCCO[C@H]1O 238267678 573071905 /nfs/dbraw/zinc/07/19/05/573071905.db2.gz XZZFKMVSNRZHRF-HTQZYQBOSA-N 0 0 144.214 1.532 10 0 ADAERN CC[C@](C[NH3+])(C(=O)[O-])C(C)(C)F 257939682 573071556 /nfs/dbraw/zinc/07/15/56/573071556.db2.gz UVLVDBHCMAXKJH-QMMMGPOBSA-N 0 0 177.219 1.174 10 0 ADAERN Fc1cccc(F)c1NC1COC1 82487942 573071577 /nfs/dbraw/zinc/07/15/77/573071577.db2.gz ZBLVLULPUHXDTM-UHFFFAOYSA-N 0 0 185.173 1.776 10 0 ADAERN CC[C@@]1(C)CC[C@@H]([C@@H](C)O)O1 238268605 573071578 /nfs/dbraw/zinc/07/15/78/573071578.db2.gz WIUXZQDWNNZLJK-VGMNWLOBSA-N 0 0 158.241 1.715 10 0 ADAERN CCCC[C@H]1C(=O)N[C@H]1C 104613455 573071589 /nfs/dbraw/zinc/07/15/89/573071589.db2.gz XZNVBGWCLFTRNV-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN CCCC1([C@@H]2NC(=O)N=C2N)CCC1 686130722 573071592 /nfs/dbraw/zinc/07/15/92/573071592.db2.gz YTMABBCYAUSDOI-SSDOTTSWSA-N 0 0 195.266 1.615 10 0 ADAERN CC[C@@H](CCOC)NC(=O)C(F)F 308247245 573071593 /nfs/dbraw/zinc/07/15/93/573071593.db2.gz XHLQAANLDWHIHT-LURJTMIESA-N 0 0 195.209 1.183 10 0 ADAERN CC[C@H](CCOC)NC(=O)C(F)F 308247246 573071597 /nfs/dbraw/zinc/07/15/97/573071597.db2.gz XHLQAANLDWHIHT-ZCFIWIBFSA-N 0 0 195.209 1.183 10 0 ADAERN C/C=C\COC(=O)C[C@H](C)COC 308253706 573071609 /nfs/dbraw/zinc/07/16/09/573071609.db2.gz HJMUKHXVUJPEFZ-WBSSQXGSSA-N 0 0 186.251 1.778 10 0 ADAERN C[C@@H](OC(=O)c1cnco1)C1CC1 308250634 573071612 /nfs/dbraw/zinc/07/16/12/573071612.db2.gz HGEZCTKHSKCCAZ-ZCFIWIBFSA-N 0 0 181.191 1.630 10 0 ADAERN CC[C@H](C)NC(=O)SC 104612160 573071625 /nfs/dbraw/zinc/07/16/25/573071625.db2.gz GDSKDTDUPUUVPT-YFKPBYRVSA-N 0 0 147.243 1.858 10 0 ADAERN CC[C@@H]1C(=O)[C@]2(C)OCC[C@@H]12 238268863 573071633 /nfs/dbraw/zinc/07/16/33/573071633.db2.gz ZETSHVHUCVHBHK-ACLDMZEESA-N 0 0 154.209 1.391 10 0 ADAERN Cc1cc(NC=O)c(C)o1 104614437 573071642 /nfs/dbraw/zinc/07/16/42/573071642.db2.gz LWMNELGUFCVHCC-UHFFFAOYSA-N 0 0 139.154 1.465 10 0 ADAERN CSCC(CSC)[C@H](C)O 222735228 573071643 /nfs/dbraw/zinc/07/16/43/573071643.db2.gz UUHASPALJFYYTN-LURJTMIESA-N 0 0 180.338 1.709 10 0 ADAERN C[C@H]1Cc2cc(O)ccc2N1 104611812 573071659 /nfs/dbraw/zinc/07/16/59/573071659.db2.gz PLAIEGJVWLIPNO-LURJTMIESA-N 0 0 149.193 1.749 10 0 ADAERN CCCC[C@@H]1NC(=O)[C@@H]1C 104613459 573073123 /nfs/dbraw/zinc/07/31/23/573073123.db2.gz DWSDQEMPXNGBSH-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@@H]1CC(C)(C)CC[C@@]1(O)C(N)=O 88132811 573073170 /nfs/dbraw/zinc/07/31/70/573073170.db2.gz KDDZYNJHJVEIIE-XCBNKYQSSA-N 0 0 185.267 1.049 10 0 ADAERN CO[C@@H](C(C)C)[C@H](NN)c1ccc[nH]1 308489411 573071699 /nfs/dbraw/zinc/07/16/99/573071699.db2.gz PYFLJQHQQXBDRG-ZJUUUORDSA-N 0 0 197.282 1.190 10 0 ADAERN Cc1cc(Cl)c(C(=O)N(C)C)cn1 88109205 573071713 /nfs/dbraw/zinc/07/17/13/573071713.db2.gz NNGMQVMIZDUGED-UHFFFAOYSA-N 0 0 198.653 1.745 10 0 ADAERN Cc1cc(N(C)C2CC2)c(C[NH3+])c[nH+]1 88114882 573071721 /nfs/dbraw/zinc/07/17/21/573071721.db2.gz AFKUNYATYMNHGV-UHFFFAOYSA-N 0 0 191.278 1.447 10 0 ADAERN OCc1cnccc1OC1CCCC1 88110417 573071790 /nfs/dbraw/zinc/07/17/90/573071790.db2.gz UAWLKGKSWPJWDJ-UHFFFAOYSA-N 0 0 193.246 1.895 10 0 ADAERN Nc1nc2ccccc2c2ccnn12 141890691 573071802 /nfs/dbraw/zinc/07/18/02/573071802.db2.gz LOEZZXJJMKOHOO-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN CC[C@H]1CC=CC(=S)N1 104612844 573071811 /nfs/dbraw/zinc/07/18/11/573071811.db2.gz NZKHLYWVOVNXGI-LURJTMIESA-N 0 0 141.239 1.642 10 0 ADAERN COCCOCn1cccc1[C@H](C)O 308489185 573071821 /nfs/dbraw/zinc/07/18/21/573071821.db2.gz PRUJKYUFUJOFPF-VIFPVBQESA-N 0 0 199.250 1.162 10 0 ADAERN CC/C=C/COC(=O)C1=COCC1 308488899 573071851 /nfs/dbraw/zinc/07/18/51/573071851.db2.gz QICVUISMVOESFR-ONEGZZNKSA-N 0 0 182.219 1.800 10 0 ADAERN CC(C)C[C@@H](C)[C@H](O)c1cn(C)nn1 308488973 573071889 /nfs/dbraw/zinc/07/18/89/573071889.db2.gz PUTLSUJOKVWCJD-SCZZXKLOSA-N 0 0 197.282 1.531 10 0 ADAERN C/C=C\C(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 717102992 573073560 /nfs/dbraw/zinc/07/35/60/573073560.db2.gz ZHBGUSSUVXDTTQ-GDSXWJPWSA-N 0 0 193.290 1.971 10 0 ADAERN COc1cc2cnn(C)c2cc1C=O 259600307 573072394 /nfs/dbraw/zinc/07/23/94/573072394.db2.gz ZHEFTFBBAHHZBQ-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN CC[C@@](C[NH3+])(C(=O)[O-])C(C)(C)F 257939680 573072403 /nfs/dbraw/zinc/07/24/03/573072403.db2.gz UVLVDBHCMAXKJH-MRVPVSSYSA-N 0 0 177.219 1.174 10 0 ADAERN Cc1c(F)cccc1NC1COC1 82488464 573072414 /nfs/dbraw/zinc/07/24/14/573072414.db2.gz UXHUIMBUNVDQAM-UHFFFAOYSA-N 0 0 181.210 1.945 10 0 ADAERN CCOc1cc(N)cc(C=O)c1 238268472 573072415 /nfs/dbraw/zinc/07/24/15/573072415.db2.gz CULKFLNMAADKJC-UHFFFAOYSA-N 0 0 165.192 1.480 10 0 ADAERN CCO[C@@H]1NC(=O)[C@H]2CCCC[C@H]12 238267540 573072421 /nfs/dbraw/zinc/07/24/21/573072421.db2.gz YLUUJVGBPKOULZ-NRPADANISA-N 0 0 183.251 1.285 10 0 ADAERN CC[C@@]1(C)CCC[C@@H](O)O1 238268267 573072483 /nfs/dbraw/zinc/07/24/83/573072483.db2.gz PEUYXOKWUJBCAU-YUMQZZPRSA-N 0 0 144.214 1.674 10 0 ADAERN CCOC(=O)C1=CC[C@H](O)CC1 222737284 573072497 /nfs/dbraw/zinc/07/24/97/573072497.db2.gz MSJPGDHMZFAJLF-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN CC[NH2+]Cc1ncc(C)cc1F 238267674 573072542 /nfs/dbraw/zinc/07/25/42/573072542.db2.gz PNHJWZRIONIEAS-UHFFFAOYSA-N 0 0 168.215 1.639 10 0 ADAERN Cc1cc(-c2ncc[nH]2)n[nH]1 104611868 573072570 /nfs/dbraw/zinc/07/25/70/573072570.db2.gz ZQYBSDLZFVDEAU-UHFFFAOYSA-N 0 0 148.169 1.108 10 0 ADAERN Cc1ccnn1C(=O)OC(C)(C)C 114411212 573072584 /nfs/dbraw/zinc/07/25/84/573072584.db2.gz LIDNOFXKXGJEMK-UHFFFAOYSA-N 0 0 182.223 1.975 10 0 ADAERN CC[NH2+]Cc1o[n-]c(=O)c1Cl 238268665 573072602 /nfs/dbraw/zinc/07/26/02/573072602.db2.gz ZHDGEKALRZXIOP-UHFFFAOYSA-N 0 0 176.603 1.143 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H](C[NH3+])C(=O)[O-])C1 141898096 573072603 /nfs/dbraw/zinc/07/26/03/573072603.db2.gz NQODVHYMKXLAHE-IWSPIJDZSA-N 0 0 185.267 1.472 10 0 ADAERN c1cpc[nH]1 104614339 573073568 /nfs/dbraw/zinc/07/35/68/573073568.db2.gz NAAHQLULNGTRQU-UHFFFAOYSA-N 0 0 85.046 1.595 10 0 ADAERN CCCNC(=S)OCC 104614302 573072621 /nfs/dbraw/zinc/07/26/21/573072621.db2.gz GHYOYKNBJJMRDO-UHFFFAOYSA-N 0 0 147.243 1.307 10 0 ADAERN CNc1cc(C(C)(C)C)nn1C 114361125 573072632 /nfs/dbraw/zinc/07/26/32/573072632.db2.gz PKKUWEVLNNJSHG-UHFFFAOYSA-N 0 0 167.256 1.759 10 0 ADAERN CCC(C)(C)NC(=O)n1ccnc1 88121107 573072638 /nfs/dbraw/zinc/07/26/38/573072638.db2.gz HPSOCCOIRUATCX-UHFFFAOYSA-N 0 0 181.239 1.629 10 0 ADAERN CC[C@@H](C)[C@@H]([NH3+])/C=C/C(=O)[O-] 238268791 573073570 /nfs/dbraw/zinc/07/35/70/573073570.db2.gz RVGMRVRXVYQESD-ZVCMNORXSA-N 0 0 157.213 1.001 10 0 ADAERN CC(C)[C@@H](CO)C(=O)C(C)(C)C 259035268 573072691 /nfs/dbraw/zinc/07/26/91/573072691.db2.gz CAASSMFWCGCDDH-MRVPVSSYSA-N 0 0 172.268 1.866 10 0 ADAERN CCSc1ncc2c(n1)NC(=O)C2 222731274 573072696 /nfs/dbraw/zinc/07/26/96/573072696.db2.gz OOBLLLGESMVGGT-UHFFFAOYSA-N 0 0 195.247 1.083 10 0 ADAERN CC[NH2+]Cc1cc(=O)[n-]c(SC)n1 308247236 573072719 /nfs/dbraw/zinc/07/27/19/573072719.db2.gz XGQXEVMMQGSHIZ-UHFFFAOYSA-N 0 0 199.279 1.014 10 0 ADAERN CCCNC(=O)N(F)F 104613832 573072720 /nfs/dbraw/zinc/07/27/20/573072720.db2.gz GRGMIVYRWJUKNE-UHFFFAOYSA-N 0 0 138.117 1.177 10 0 ADAERN CCCOC(=O)[C@H]1CCCOCC1 308247206 573072746 /nfs/dbraw/zinc/07/27/46/573072746.db2.gz XFTUVIYNESGVIH-VIFPVBQESA-N 0 0 186.251 1.756 10 0 ADAERN CC[C@@H]1CNC(=O)CC(C)(C)C1 238268631 573072747 /nfs/dbraw/zinc/07/27/47/573072747.db2.gz YKFNBZBVCFFWPI-QMMMGPOBSA-N 0 0 169.268 1.949 10 0 ADAERN Cc1ccsc1C1(CO)COC1 259322352 573072772 /nfs/dbraw/zinc/07/27/72/573072772.db2.gz UGQZUGWMIFAIPL-UHFFFAOYSA-N 0 0 184.260 1.317 10 0 ADAERN CC(C)(C)CCNC(=O)[C@H]1CCO1 308254292 573072778 /nfs/dbraw/zinc/07/27/78/573072778.db2.gz JOSYHPKBIWAKFI-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@@H]1CC(C)(C)CC[C@@]1([NH3+])C(=O)[O-] 88132067 573072780 /nfs/dbraw/zinc/07/27/80/573072780.db2.gz RTXUYKZZBOCZIH-XCBNKYQSSA-N 0 0 185.267 1.615 10 0 ADAERN CCCCc1nc(NC)no1 238267862 573072786 /nfs/dbraw/zinc/07/27/86/573072786.db2.gz VLVCSEWVMTWOKZ-UHFFFAOYSA-N 0 0 155.201 1.454 10 0 ADAERN CO[C@H](C(C)C)[C@H](NN)c1ccc[nH]1 308489407 573072800 /nfs/dbraw/zinc/07/28/00/573072800.db2.gz PYFLJQHQQXBDRG-NXEZZACHSA-N 0 0 197.282 1.190 10 0 ADAERN CC[C@H](C)[N@@H+]1CCC[C@H]1C(=O)[O-] 238267524 573072894 /nfs/dbraw/zinc/07/28/94/573072894.db2.gz RHYRLMUWGKISRD-YUMQZZPRSA-N 0 0 171.240 1.334 10 0 ADAERN FC(F)c1cc[nH]c1 104615435 573073131 /nfs/dbraw/zinc/07/31/31/573073131.db2.gz VGSOHFZARXAKLJ-UHFFFAOYSA-N 0 0 117.098 1.952 10 0 ADAERN CC[C@@H](C)OC(=O)[C@@H]([NH3+])[C@H](C)CC 40490841 573072907 /nfs/dbraw/zinc/07/29/07/573072907.db2.gz YMENNFVAHCOKNZ-HLTSFMKQSA-N 0 0 187.283 1.702 10 0 ADAERN CNc1cc(-c2cc[nH]c2)n(C)n1 259322366 573072965 /nfs/dbraw/zinc/07/29/65/573072965.db2.gz UGXRQOKHDXKGCJ-UHFFFAOYSA-N 0 0 176.223 1.457 10 0 ADAERN CC[N@H+](CC(=O)[O-])C[C@]1(C)C[C@@H]1C 714626715 573072971 /nfs/dbraw/zinc/07/29/71/573072971.db2.gz XAGJZFZGFDMGOH-WPRPVWTQSA-N 0 0 185.267 1.439 10 0 ADAERN O=Cc1ccc2c(c1)NC=CO2 143921832 573072977 /nfs/dbraw/zinc/07/29/77/573072977.db2.gz HCSNKZQUWQGJRU-UHFFFAOYSA-N 0 0 161.160 1.775 10 0 ADAERN C=COCCOC(=O)[C@H](C)C(C)C 308254271 573072987 /nfs/dbraw/zinc/07/29/87/573072987.db2.gz JNQARXNVNUROKI-SECBINFHSA-N 0 0 186.251 1.982 10 0 ADAERN CCOC[C@@](C)(O)C(F)(F)F 114384134 573073012 /nfs/dbraw/zinc/07/30/12/573073012.db2.gz OQTBZGOTLAHFSD-RXMQYKEDSA-N 0 0 172.146 1.336 10 0 ADAERN C[C@H]1CC(C)(C)CC(=O)N1 104615346 573073137 /nfs/dbraw/zinc/07/31/37/573073137.db2.gz AZDJGBLQFWMVDB-LURJTMIESA-N 0 0 141.214 1.311 10 0 ADAERN CCOc1cc(N)cc(CO)c1 238268488 573073062 /nfs/dbraw/zinc/07/30/62/573073062.db2.gz MVPQSGUNVMCVMO-UHFFFAOYSA-N 0 0 167.208 1.160 10 0 ADAERN Fc1cc(F)cc(NC2COC2)c1 82487905 573073072 /nfs/dbraw/zinc/07/30/72/573073072.db2.gz JJBRQMKBCVORGY-UHFFFAOYSA-N 0 0 185.173 1.776 10 0 ADAERN CONCCc1ccc(F)c(F)c1 308250597 573073112 /nfs/dbraw/zinc/07/31/12/573073112.db2.gz BCTYTGTUVGIMAY-UHFFFAOYSA-N 0 0 187.189 1.658 10 0 ADAERN CC[C@]1(C(N)=O)CC=CCC1 114358298 573073115 /nfs/dbraw/zinc/07/31/15/573073115.db2.gz PRTSAXFXQDAZDZ-VIFPVBQESA-N 0 0 153.225 1.608 10 0 ADAERN O=Cc1nnc([C@H]2CCCSC2)o1 258231945 573073150 /nfs/dbraw/zinc/07/31/50/573073150.db2.gz ZPOMPTPFAQHUFI-LURJTMIESA-N 0 0 198.247 1.493 10 0 ADAERN C[C@@H](NC1COC1)c1ccsc1 82488673 573073165 /nfs/dbraw/zinc/07/31/65/573073165.db2.gz ZSRDHZFHACYJGX-SSDOTTSWSA-N 0 0 183.276 1.798 10 0 ADAERN CCOC(=O)c1ccccc1NC#N 238267575 573073209 /nfs/dbraw/zinc/07/32/09/573073209.db2.gz HYVHRYIETVAPGO-UHFFFAOYSA-N 0 0 190.202 1.756 10 0 ADAERN Cc1ccc([C@@H](C)NC2COC2)o1 82488208 573073227 /nfs/dbraw/zinc/07/32/27/573073227.db2.gz ILECKUUAESNOKD-MRVPVSSYSA-N 0 0 181.235 1.637 10 0 ADAERN CSCCC(=O)N[C@H]1C[C@@H]1C1CC1 308250453 573073237 /nfs/dbraw/zinc/07/32/37/573073237.db2.gz BIFRGSLHVKSQAY-BDAKNGLRSA-N 0 0 199.319 1.654 10 0 ADAERN Cc1cc(CO)c(C)cc1N 114411387 573073243 /nfs/dbraw/zinc/07/32/43/573073243.db2.gz LAGPMTLUCAOQFS-UHFFFAOYSA-N 0 0 151.209 1.378 10 0 ADAERN OCCC[C@@H]1Cc2cc(F)ccc2O1 85538677 573073582 /nfs/dbraw/zinc/07/35/82/573073582.db2.gz FFFLXHXJSFEKMV-SNVBAGLBSA-N 0 0 196.221 1.902 10 0 ADAERN CCCCc1nnc(NC(C)=O)o1 238268808 573073289 /nfs/dbraw/zinc/07/32/89/573073289.db2.gz FZDNFAMKAPUMPY-UHFFFAOYSA-N 0 0 183.211 1.371 10 0 ADAERN COCc1ccccc1NC1COC1 82488372 573073316 /nfs/dbraw/zinc/07/33/16/573073316.db2.gz JVOMDOHKNGZJQF-UHFFFAOYSA-N 0 0 193.246 1.644 10 0 ADAERN CC[C@@H](C(N)=O)C1(O)CCCCC1 114344618 573073320 /nfs/dbraw/zinc/07/33/20/573073320.db2.gz VCSWNRWHEJRLQX-QMMMGPOBSA-N 0 0 185.267 1.193 10 0 ADAERN COCCc1c[nH]c(Cl)n1 258475785 573073333 /nfs/dbraw/zinc/07/33/33/573073333.db2.gz IBVLSTMQWSFGKD-UHFFFAOYSA-N 0 0 160.604 1.252 10 0 ADAERN CNc1cc(OC)ccc1C(N)=S 88128276 573073365 /nfs/dbraw/zinc/07/33/65/573073365.db2.gz IPVZSIDUFQKKQH-UHFFFAOYSA-N 0 0 196.275 1.371 10 0 ADAERN CCC[C@@H]1CCC[C@H](CO)C1=O 238268555 573073398 /nfs/dbraw/zinc/07/33/98/573073398.db2.gz MNZNYDSWFOGYMD-RKDXNWHRSA-N 0 0 170.252 1.764 10 0 ADAERN c1ccc(Nc2cc[nH]n2)nc1 114409159 573073419 /nfs/dbraw/zinc/07/34/19/573073419.db2.gz RSLYEFKTNVKNFJ-UHFFFAOYSA-N 0 0 160.180 1.548 10 0 ADAERN CC[C@@H](O)C1=CC1(C)C 238267929 573073422 /nfs/dbraw/zinc/07/34/22/573073422.db2.gz APXHCHAQIKAOCR-SSDOTTSWSA-N 0 0 126.199 1.724 10 0 ADAERN CCNc1n[nH]c(-c2ccco2)n1 238267484 573073429 /nfs/dbraw/zinc/07/34/29/573073429.db2.gz DBFSBRAKROURKY-UHFFFAOYSA-N 0 0 178.195 1.497 10 0 ADAERN NC(=O)c1ccc2cccccc1-2 114330159 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1.293 10 0 ADAERN CC[C@@H](C[NH3+])[C@@H](CC)C(=O)[O-] 238270034 573076458 /nfs/dbraw/zinc/07/64/58/573076458.db2.gz VQGDIOJFRSJPCI-NKWVEPMBSA-N 0 0 159.229 1.082 10 0 ADAERN CC[C@H]1NCC(=O)N1C[C@@H](C)C(C)C 128572261 573076460 /nfs/dbraw/zinc/07/64/60/573076460.db2.gz SFYFPBWVSMNWOL-ZJUUUORDSA-N 0 0 198.310 1.446 10 0 ADAERN CC[C@H](C)[C@H](NC(C)=O)OC 238271046 573076408 /nfs/dbraw/zinc/07/64/08/573076408.db2.gz SOUPANFEFLKHPE-POYBYMJQSA-N 0 0 159.229 1.141 10 0 ADAERN C[C@@H]1CCCC=C1NC=O 104617416 573076416 /nfs/dbraw/zinc/07/64/16/573076416.db2.gz XGGYMWOYQLSTQR-SSDOTTSWSA-N 0 0 139.198 1.436 10 0 ADAERN CCCCCC[C@H](C)OC(=O)CO 308496463 573076664 /nfs/dbraw/zinc/07/66/64/573076664.db2.gz UFEKUPNUKAGZDP-VIFPVBQESA-N 0 0 188.267 1.881 10 0 ADAERN COC[C@H](C)[C@@H](C)Nc1ccn(C)n1 308490756 573076489 /nfs/dbraw/zinc/07/64/89/573076489.db2.gz BMMWZUHTZSAIPZ-DTWKUNHWSA-N 0 0 197.282 1.503 10 0 ADAERN Cc1cc(F)ccc1-c1noc(N)n1 88123856 573076495 /nfs/dbraw/zinc/07/64/95/573076495.db2.gz OCVWKVJTOCKMMR-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN C[C@@H]1Nc2ccccc2C1=O 104616353 573076514 /nfs/dbraw/zinc/07/65/14/573076514.db2.gz KVGKFRJNCLJWQN-LURJTMIESA-N 0 0 147.177 1.683 10 0 ADAERN CCN1C=C(CC(=O)[O-])S[C@@H]1C 238269469 573076561 /nfs/dbraw/zinc/07/65/61/573076561.db2.gz LTWMOQBDGHOXIX-ZCFIWIBFSA-N 0 0 187.264 1.717 10 0 ADAERN Cc1ocnc1CSCCCO 128571179 573076578 /nfs/dbraw/zinc/07/65/78/573076578.db2.gz NQNGGCZXWPGEPR-UHFFFAOYSA-N 0 0 187.264 1.599 10 0 ADAERN C/C=C/C[N@H+](CC(N)=O)C(C)(C)C 308250977 573076660 /nfs/dbraw/zinc/07/66/60/573076660.db2.gz AYYGWQFJCPXTBK-AATRIKPKSA-N 0 0 184.283 1.148 10 0 ADAERN CC[C@H]1CCCN1C(=O)n1ccnc1 88121085 573076604 /nfs/dbraw/zinc/07/66/04/573076604.db2.gz RRTXGRUBVPGWDJ-VIFPVBQESA-N 0 0 193.250 1.726 10 0 ADAERN C/C=C\COC(=O)CCC[C@@H](C)O 308251657 573076617 /nfs/dbraw/zinc/07/66/17/573076617.db2.gz BJYLKUCZFNUJHT-ZBJFTSOASA-N 0 0 186.251 1.657 10 0 ADAERN CC[C@]1(C)C=C[C@H](O)C1 238269910 573076623 /nfs/dbraw/zinc/07/66/23/573076623.db2.gz HARUONGTQDLBKA-JGVFFNPUSA-N 0 0 126.199 1.724 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC(C)(C)C[C@H]1C 88132069 573076626 /nfs/dbraw/zinc/07/66/26/573076626.db2.gz KTOMPMHYBVAQIF-LDYMZIIASA-N 0 0 199.294 1.875 10 0 ADAERN CCOc1cc(O)cc2c1C(=O)CO2 238270614 573076638 /nfs/dbraw/zinc/07/66/38/573076638.db2.gz GBLGWODRWJYSDZ-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN N=C(N)c1ncsc1Cl 114405689 573076653 /nfs/dbraw/zinc/07/66/53/573076653.db2.gz XCAGJDLQIMBBCC-UHFFFAOYSA-N 0 0 161.617 1.081 10 0 ADAERN CC[C@H]1[NH2+]CCC[C@H]1CC(=O)[O-] 238270819 573076662 /nfs/dbraw/zinc/07/66/62/573076662.db2.gz RTQFUCOGMKOQRP-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H]2CC(=O)C[C@@H]21 238269930 573076658 /nfs/dbraw/zinc/07/66/58/573076658.db2.gz IEPRUMSZVGNJMP-XVYDVKMFSA-N 0 0 166.220 1.581 10 0 ADAERN O=C1NC2CCC(CC2)O1 104620946 573082711 /nfs/dbraw/zinc/08/27/11/573082711.db2.gz AMMGGMYYIQTFFO-UHFFFAOYSA-N 0 0 141.170 1.037 10 0 ADAERN COc1c(N)cc(C(C)C)cc1N 114405527 573077162 /nfs/dbraw/zinc/07/71/62/573077162.db2.gz UUQKYCPUPVRVLA-UHFFFAOYSA-N 0 0 180.251 1.983 10 0 ADAERN CCOc1cc(O)c(C(C)=O)c(O)c1 238269612 573076968 /nfs/dbraw/zinc/07/69/68/573076968.db2.gz RNQWSZNKQMGYSI-UHFFFAOYSA-N 0 0 196.202 1.699 10 0 ADAERN S=C1CSC=CN1 104616337 573077165 /nfs/dbraw/zinc/07/71/65/573077165.db2.gz YUYKHEOJGGYHAR-UHFFFAOYSA-N 0 0 131.225 1.121 10 0 ADAERN CSC(=S)NC(C)C 104617704 573076993 /nfs/dbraw/zinc/07/69/93/573076993.db2.gz ISMAILXNDPVPLV-UHFFFAOYSA-N 0 0 149.284 1.632 10 0 ADAERN CCOc1cc(O)ccc1C(=O)NC 238270700 573077048 /nfs/dbraw/zinc/07/70/48/573077048.db2.gz CPTNVTPDHDEQGC-UHFFFAOYSA-N 0 0 195.218 1.151 10 0 ADAERN CCNC1=N[C@H]2CCCC[C@H]2O1 238270295 573077394 /nfs/dbraw/zinc/07/73/94/573077394.db2.gz VGUYUUDVLZRZQG-JGVFFNPUSA-N 0 0 168.240 1.293 10 0 ADAERN CCOc1cc(O)cnc1Cl 238270894 573077063 /nfs/dbraw/zinc/07/70/63/573077063.db2.gz KHNIOQDRMXQVLW-UHFFFAOYSA-N 0 0 173.599 1.839 10 0 ADAERN C[C@H]1CC(C)(C)CC[C@@]1([NH3+])C(=O)[O-] 88132068 573077070 /nfs/dbraw/zinc/07/70/70/573077070.db2.gz RTXUYKZZBOCZIH-XVKPBYJWSA-N 0 0 185.267 1.615 10 0 ADAERN CC[C@H](C)C(=O)N(CC)C[C@H](C)O 308251078 573077077 /nfs/dbraw/zinc/07/70/77/573077077.db2.gz BDOADJOINFKXNT-IUCAKERBSA-N 0 0 187.283 1.262 10 0 ADAERN NC1N=NC(=S)N1[C@H]1C[C@H]1C1CC1 717102486 573077097 /nfs/dbraw/zinc/07/70/97/573077097.db2.gz YALXLGSOGWKTIT-WDSKDSINSA-N 0 0 196.279 1.120 10 0 ADAERN CCCc1c(F)cncc1C=O 238271089 573077123 /nfs/dbraw/zinc/07/71/23/573077123.db2.gz XLIXWOPJJKJQAX-UHFFFAOYSA-N 0 0 167.183 1.986 10 0 ADAERN CCOc1cc(O)c(C)cc1O 238269863 573077167 /nfs/dbraw/zinc/07/71/67/573077167.db2.gz BELNOGASKGGKJQ-UHFFFAOYSA-N 0 0 168.192 1.805 10 0 ADAERN CC(=O)C1(C[C@H](C)CO)CC1 235460130 573077184 /nfs/dbraw/zinc/07/71/84/573077184.db2.gz ADTODWJQPMATCK-ZETCQYMHSA-N 0 0 156.225 1.374 10 0 ADAERN C=CC(=O)N(C)CC1CCCC1 82492485 573077185 /nfs/dbraw/zinc/07/71/85/573077185.db2.gz CBIVVPLFBCUWLZ-UHFFFAOYSA-N 0 0 167.252 1.821 10 0 ADAERN O[C@@H]1COC[C@@H]1c1ccccc1Cl 687983173 573077192 /nfs/dbraw/zinc/07/71/92/573077192.db2.gz SWDXBDGNJUXYND-PSASIEDQSA-N 0 0 198.649 1.815 10 0 ADAERN Cc1nc(C(C)C)no1 114375136 573077236 /nfs/dbraw/zinc/07/72/36/573077236.db2.gz WZCPELGQNQALKK-UHFFFAOYSA-N 0 0 126.159 1.501 10 0 ADAERN OCc1ccn(C(F)F)c1 85589390 573087678 /nfs/dbraw/zinc/08/76/78/573087678.db2.gz QBWSJDLKZVBBJJ-UHFFFAOYSA-N 0 0 147.124 1.376 10 0 ADAERN OCCC[C@H]1Cc2cc(F)ccc2O1 85538675 573077274 /nfs/dbraw/zinc/07/72/74/573077274.db2.gz FFFLXHXJSFEKMV-JTQLQIEISA-N 0 0 196.221 1.902 10 0 ADAERN CCOc1cc(O)cc(O)c1C 238270477 573077295 /nfs/dbraw/zinc/07/72/95/573077295.db2.gz LYSIZMPEWBMEPL-UHFFFAOYSA-N 0 0 168.192 1.805 10 0 ADAERN Cc1ncccc1[C@H](O)[C@@H]1CCCO1 715238448 573077306 /nfs/dbraw/zinc/07/73/06/573077306.db2.gz LNXFXEHOUZNSLL-QWRGUYRKSA-N 0 0 193.246 1.602 10 0 ADAERN COC[C@@H](C)[C@H](C)Nc1ccn(C)n1 308490755 573077312 /nfs/dbraw/zinc/07/73/12/573077312.db2.gz 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/nfs/dbraw/zinc/07/75/21/573077521.db2.gz RNTKFFRJTGRGOK-LURJTMIESA-N 0 0 199.279 1.026 10 0 ADAERN CC(F)(F)CCC(=O)N1CCCO1 308251799 573077538 /nfs/dbraw/zinc/07/75/38/573077538.db2.gz HUWAYPFUPFBDFA-UHFFFAOYSA-N 0 0 193.193 1.586 10 0 ADAERN CNc1nc(Br)c[nH]1 257940141 573077542 /nfs/dbraw/zinc/07/75/42/573077542.db2.gz VJADZEHCPNUPJE-UHFFFAOYSA-N 0 0 176.017 1.214 10 0 ADAERN CCC(=O)OCCCOCC(F)F 308251960 573077545 /nfs/dbraw/zinc/07/75/45/573077545.db2.gz BPXMJPVTDJEUPN-UHFFFAOYSA-N 0 0 196.193 1.611 10 0 ADAERN c1csc(CNc2cn[nH]c2)n1 82493574 573077549 /nfs/dbraw/zinc/07/75/49/573077549.db2.gz RDIWWHWAIBIAOM-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)OCC(F)F 308250993 573077552 /nfs/dbraw/zinc/07/75/52/573077552.db2.gz AZSXWMDFRANOBE-FSPLSTOPSA-N 0 0 194.177 1.220 10 0 ADAERN CC[C@]1(C)C(=O)CCCN1C 238270874 573077553 /nfs/dbraw/zinc/07/75/53/573077553.db2.gz MPQHVTHOCWOMFY-SECBINFHSA-N 0 0 155.241 1.450 10 0 ADAERN CC[C@@]1(C)C[C@@H](C)C(=O)CC1=O 238269607 573077662 /nfs/dbraw/zinc/07/76/62/573077662.db2.gz ZCGXUWJYKYEQGK-XCBNKYQSSA-N 0 0 168.236 1.971 10 0 ADAERN FC(F)(F)CNCCC1CC1 49730522 573077557 /nfs/dbraw/zinc/07/75/57/573077557.db2.gz OWCPMYLXLBVTPY-UHFFFAOYSA-N 0 0 167.174 1.938 10 0 ADAERN CCOc1cc(O)cnc1C 238270883 573077580 /nfs/dbraw/zinc/07/75/80/573077580.db2.gz HWVWJLJUBSUEMO-UHFFFAOYSA-N 0 0 153.181 1.494 10 0 ADAERN CCOC(=N)c1ccc(C)cn1 88135112 573077668 /nfs/dbraw/zinc/07/76/68/573077668.db2.gz LNPCBSWCGNLAGJ-UHFFFAOYSA-N 0 0 164.208 1.752 10 0 ADAERN OCCC[C@@H]1Cc2ccccc2O1 85538141 573077675 /nfs/dbraw/zinc/07/76/75/573077675.db2.gz FKSXWJMMOUAGBZ-SNVBAGLBSA-N 0 0 178.231 1.763 10 0 ADAERN CCOC[C@H](NN)C(C1CC1)C1CC1 308491167 573077709 /nfs/dbraw/zinc/07/77/09/573077709.db2.gz QSGQOYWVPOLPPO-JTQLQIEISA-N 0 0 198.310 1.291 10 0 ADAERN C/C=C/CCNC(=O)NCC(C)C 308251053 573077714 /nfs/dbraw/zinc/07/77/14/573077714.db2.gz BBVXUIOIVFPCAN-SNAWJCMRSA-N 0 0 184.283 1.908 10 0 ADAERN CCC[C@H](O)C(=O)c1c(C)cnn1C 308492109 573077719 /nfs/dbraw/zinc/07/77/19/573077719.db2.gz RIOQGWDKTAQWBT-QMMMGPOBSA-N 0 0 196.250 1.072 10 0 ADAERN CC(=O)OCC(C)(C)F 114392735 573077730 /nfs/dbraw/zinc/07/77/30/573077730.db2.gz RCSHNMZBKPGJFG-UHFFFAOYSA-N 0 0 134.150 1.298 10 0 ADAERN CCN1CC(C)(C)C(=O)[C@H]1C 238270286 573077731 /nfs/dbraw/zinc/07/77/31/573077731.db2.gz FYZDSKNCBOINGU-SSDOTTSWSA-N 0 0 155.241 1.306 10 0 ADAERN CNC(=O)SC(C)C 104616444 573077751 /nfs/dbraw/zinc/07/77/51/573077751.db2.gz UAIKEGXVHYYZCY-UHFFFAOYSA-N 0 0 133.216 1.467 10 0 ADAERN CC[C@H]1NC(=O)OC12CCCC2 238269244 573077753 /nfs/dbraw/zinc/07/77/53/573077753.db2.gz LZBZLVBOMZZXEG-SSDOTTSWSA-N 0 0 169.224 1.818 10 0 ADAERN CC[C@@H]1CNC(=O)C2(CCC2)C1 238271032 573077763 /nfs/dbraw/zinc/07/77/63/573077763.db2.gz PRHQVFHKZAGGFW-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN CCCCCC[C@@H](O)CN(C)OC 308490609 573077766 /nfs/dbraw/zinc/07/77/66/573077766.db2.gz RBKPOEGONYDCAJ-SNVBAGLBSA-N 0 0 189.299 1.811 10 0 ADAERN C[C@H]1CCCC=C1NC=O 104617419 573077797 /nfs/dbraw/zinc/07/77/97/573077797.db2.gz XGGYMWOYQLSTQR-ZETCQYMHSA-N 0 0 139.198 1.436 10 0 ADAERN CO[C@@H](C)C[C@@H](O)c1c(C)cnn1C 308491653 573077955 /nfs/dbraw/zinc/07/79/55/573077955.db2.gz RBCFNVZCJUODHM-DTWKUNHWSA-N 0 0 198.266 1.187 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2cc[nH]c2)O1 88140758 573077841 /nfs/dbraw/zinc/07/78/41/573077841.db2.gz JDIGDIHHGAWIND-VXNVDRBHSA-N 0 0 179.219 1.765 10 0 ADAERN NCC(F)(F)C(=O)OC1CCCC1 308250742 573077859 /nfs/dbraw/zinc/07/78/59/573077859.db2.gz FGELQBPUMUMTJD-UHFFFAOYSA-N 0 0 193.193 1.066 10 0 ADAERN Cc1ccc([C@H](O)C(F)F)nc1 88135935 573077864 /nfs/dbraw/zinc/07/78/64/573077864.db2.gz FFFYPXNNYXCDCC-ZETCQYMHSA-N 0 0 173.162 1.689 10 0 ADAERN NC(=O)C1Oc2ccccc2C1=O 114315418 573077868 /nfs/dbraw/zinc/07/78/68/573077868.db2.gz BQIPSHFARQEQOU-UHFFFAOYSA-N 0 0 177.159 1.237 10 0 ADAERN CC[C@H](C)C(=O)N(CC)C[C@@H](C)O 308251077 573077892 /nfs/dbraw/zinc/07/78/92/573077892.db2.gz BDOADJOINFKXNT-DTWKUNHWSA-N 0 0 187.283 1.262 10 0 ADAERN COC[C@H](O)c1ccc(C)cn1 88136043 573077918 /nfs/dbraw/zinc/07/79/18/573077918.db2.gz NOLWXVFFXIYGHV-VIFPVBQESA-N 0 0 167.208 1.070 10 0 ADAERN Cc1csc(CC(=O)OC(C)C)n1 308251478 573078218 /nfs/dbraw/zinc/07/82/18/573078218.db2.gz HNYUJCCFBQCMFG-UHFFFAOYSA-N 0 0 199.275 1.946 10 0 ADAERN CCC[C@@H]1CCO[C@@H](O)C1 238269207 573077933 /nfs/dbraw/zinc/07/79/33/573077933.db2.gz FPBXNWPRVDWZAF-HTQZYQBOSA-N 0 0 144.214 1.532 10 0 ADAERN NC(=S)C[C@H]1Cc2ccccc2O1 85537496 573077972 /nfs/dbraw/zinc/07/79/72/573077972.db2.gz ZRUPLTVVFKYGGJ-MRVPVSSYSA-N 0 0 193.271 1.666 10 0 ADAERN CCC[C@@H]1CC[C@@H](C)O[C@@H]1O 238269610 573077976 /nfs/dbraw/zinc/07/79/76/573077976.db2.gz PMMVBNVUBRCFBX-HLTSFMKQSA-N 0 0 158.241 1.920 10 0 ADAERN O=C1CCCC(Cl)=CN1 104617055 573078001 /nfs/dbraw/zinc/07/80/01/573078001.db2.gz SGVQJTFPGFEIAR-UHFFFAOYSA-N 0 0 145.589 1.367 10 0 ADAERN Nc1cccc(F)c1N1CCOC1=O 88134683 573078003 /nfs/dbraw/zinc/07/80/03/573078003.db2.gz LIQYLPNWBBCMRA-UHFFFAOYSA-N 0 0 196.181 1.365 10 0 ADAERN C/C=C/COC(=O)CCC[C@@H](C)O 308251654 573078004 /nfs/dbraw/zinc/07/80/04/573078004.db2.gz BJYLKUCZFNUJHT-CDAZIORVSA-N 0 0 186.251 1.657 10 0 ADAERN Cc1ccc(-c2nc(CO)c[nH]2)nc1 88135256 573078014 /nfs/dbraw/zinc/07/80/14/573078014.db2.gz MFWJOWFNJIGUDA-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN Nc1cccc(F)c1NC(=O)C1CC1 88134296 573078032 /nfs/dbraw/zinc/07/80/32/573078032.db2.gz FXVFXCJWPYKOHH-UHFFFAOYSA-N 0 0 194.209 1.756 10 0 ADAERN C[C@H](N[C@H]1C[C@@H]1CO)c1cscn1 308251127 573078035 /nfs/dbraw/zinc/07/80/35/573078035.db2.gz HLNHRIAFTLOAPJ-RNJXMRFFSA-N 0 0 198.291 1.175 10 0 ADAERN C/C=C(\CC)c1nc(N(C)C)no1 308251403 573078504 /nfs/dbraw/zinc/07/85/04/573078504.db2.gz BHJIIXNPKJLLQR-FNORWQNLSA-N 0 0 181.239 1.949 10 0 ADAERN CCOc1cc(O)c(C)c(O)c1 238269751 573078088 /nfs/dbraw/zinc/07/80/88/573078088.db2.gz MZQDFTRARHHCPJ-UHFFFAOYSA-N 0 0 168.192 1.805 10 0 ADAERN CC(=O)CCc1ccc(C)cn1 88135547 573078097 /nfs/dbraw/zinc/07/80/97/573078097.db2.gz PKPWOFGRJSMUFJ-UHFFFAOYSA-N 0 0 163.220 1.912 10 0 ADAERN CCNC(=O)Nc1c(N)cccc1F 88134483 573078104 /nfs/dbraw/zinc/07/81/04/573078104.db2.gz XSMFVFNNFYXSIX-UHFFFAOYSA-N 0 0 197.213 1.549 10 0 ADAERN CCc1nc([C@H](N)COC(C)C)no1 128608072 573078108 /nfs/dbraw/zinc/07/81/08/573078108.db2.gz GYQQLPOVDOGMIZ-SSDOTTSWSA-N 0 0 199.254 1.057 10 0 ADAERN c1[nH]cc2c1CCC2 104619039 573078115 /nfs/dbraw/zinc/07/81/15/573078115.db2.gz VXKHYOYHHMPFGM-UHFFFAOYSA-N 0 0 107.156 1.503 10 0 ADAERN C/C=C(/CO)CCC 78282455 573078117 /nfs/dbraw/zinc/07/81/17/573078117.db2.gz GPUORFRXQJMSDV-QPJJXVBHSA-N 0 0 114.188 1.725 10 0 ADAERN CCCC[C@H](C)[C@@H](O)c1ncnn1C 308491619 573078161 /nfs/dbraw/zinc/07/81/61/573078161.db2.gz QZXBSXPLRHBCGY-DTWKUNHWSA-N 0 0 197.282 1.675 10 0 ADAERN CC[C@@H]1CNC(=O)C2(CC2)C1 238271020 573078176 /nfs/dbraw/zinc/07/81/76/573078176.db2.gz VFFPBBVJDDNSKT-ZETCQYMHSA-N 0 0 153.225 1.313 10 0 ADAERN Nc1cc(F)cc(F)c1-n1cnnc1 88134800 573078185 /nfs/dbraw/zinc/07/81/85/573078185.db2.gz KIOIBWFIDBXUPZ-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CC[C@@H](C)N(C)C(=O)C[C@H](C)OC 308251025 573078187 /nfs/dbraw/zinc/07/81/87/573078187.db2.gz BAJFQDDQCMFHJO-BDAKNGLRSA-N 0 0 187.283 1.668 10 0 ADAERN OCCc1cnc(-c2cccs2)o1 258232022 573078222 /nfs/dbraw/zinc/07/82/22/573078222.db2.gz VRPCFRMZEMHWNK-UHFFFAOYSA-N 0 0 195.243 1.938 10 0 ADAERN CC(C)n1ncnc1[C@H](C)C[C@@H](C)O 308491615 573078232 /nfs/dbraw/zinc/07/82/32/573078232.db2.gz QZVZUKRNFURPSY-RKDXNWHRSA-N 0 0 197.282 1.733 10 0 ADAERN C[C@@H](O)C/C=C\c1cc(O)cc(=O)o1 308492227 573078259 /nfs/dbraw/zinc/07/82/59/573078259.db2.gz SADDONZEXLCARP-DQZUBPPWSA-N 0 0 196.202 1.130 10 0 ADAERN CC(=O)COC(=O)/C=C(\C)C1CC1 308251155 573078274 /nfs/dbraw/zinc/07/82/74/573078274.db2.gz HMWDOUYTCBHKLQ-FNORWQNLSA-N 0 0 182.219 1.475 10 0 ADAERN CCOC(=O)NC(=O)C1CCC1 238270688 573078278 /nfs/dbraw/zinc/07/82/78/573078278.db2.gz PKXSPZZHANGDAF-UHFFFAOYSA-N 0 0 171.196 1.059 10 0 ADAERN Cc1ccc([C@H]2CC(=O)CCO2)nc1 88136470 573078283 /nfs/dbraw/zinc/07/82/83/573078283.db2.gz XTSYDWDWFSURDQ-LLVKDONJSA-N 0 0 191.230 1.811 10 0 ADAERN CC[C@@H]1N=C(C)CC(C)(C)N1 238270097 573078297 /nfs/dbraw/zinc/07/82/97/573078297.db2.gz QVXLYGNXUABTMA-MRVPVSSYSA-N 0 0 154.257 1.955 10 0 ADAERN Cc1ccc([C@H]2CC(=O)N[C@H]2C)nc1 88136629 573078300 /nfs/dbraw/zinc/07/83/00/573078300.db2.gz NDTJSXGMBUPEIG-IUCAKERBSA-N 0 0 190.246 1.382 10 0 ADAERN O[C@H]1COC[C@H]1c1ccccc1Cl 687983179 573078317 /nfs/dbraw/zinc/07/83/17/573078317.db2.gz SWDXBDGNJUXYND-WPRPVWTQSA-N 0 0 198.649 1.815 10 0 ADAERN CC(C)n1ncnc1[C@H](C)C[C@H](C)O 308491610 573078318 /nfs/dbraw/zinc/07/83/18/573078318.db2.gz QZVZUKRNFURPSY-BDAKNGLRSA-N 0 0 197.282 1.733 10 0 ADAERN CC[C@H](C)ONC(=O)N[C@H]1C[C@@H]1C 308251679 573078323 /nfs/dbraw/zinc/07/83/23/573078323.db2.gz BLMDHYCDSVCCFK-FXQIFTODSA-N 0 0 186.255 1.424 10 0 ADAERN COC[C@@H](C)[C@@H](C)Nc1ccn(C)n1 308490760 573078325 /nfs/dbraw/zinc/07/83/25/573078325.db2.gz BMMWZUHTZSAIPZ-RKDXNWHRSA-N 0 0 197.282 1.503 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2cc[nH]c2)O1 88140760 573078340 /nfs/dbraw/zinc/07/83/40/573078340.db2.gz JDIGDIHHGAWIND-APPZFPTMSA-N 0 0 179.219 1.765 10 0 ADAERN C[C@H]1CC(C)(C)CC[C@@]12COC(N)=N2 88133529 573078350 /nfs/dbraw/zinc/07/83/50/573078350.db2.gz PWSZCRFBHGEKEA-GZMMTYOYSA-N 0 0 196.294 1.916 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H](CC)C[NH3+] 238270070 573078371 /nfs/dbraw/zinc/07/83/71/573078371.db2.gz VQGDIOJFRSJPCI-BQBZGAKWSA-N 0 0 159.229 1.082 10 0 ADAERN Cc1nc(-c2cc(N)ccc2C)n[nH]1 82505005 573078391 /nfs/dbraw/zinc/07/83/91/573078391.db2.gz DZAINDHULKMROD-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN COC(=N)c1ccc(C)cn1 88135110 573079376 /nfs/dbraw/zinc/07/93/76/573079376.db2.gz PWOOKNAFBDIBLK-UHFFFAOYSA-N 0 0 150.181 1.362 10 0 ADAERN C/C=C\C[S@@](=O)CCn1cccn1 308251670 573078412 /nfs/dbraw/zinc/07/84/12/573078412.db2.gz BLCWPSSPBQKVPN-XQJDBVBESA-N 0 0 198.291 1.208 10 0 ADAERN C[C@@H]1CCCN(C(N)=S)CC1 82489892 573078427 /nfs/dbraw/zinc/07/84/27/573078427.db2.gz RQIGGBHTKZQGID-SSDOTTSWSA-N 0 0 172.297 1.352 10 0 ADAERN CCOC(=O)[C@H]1NCC2=CCCC[C@H]21 238270731 573078436 /nfs/dbraw/zinc/07/84/36/573078436.db2.gz SQMITHBJZRTOMZ-ZJUUUORDSA-N 0 0 195.262 1.248 10 0 ADAERN CCNC1=N[C@H]2CCCC[C@@H]2O1 238270281 573078596 /nfs/dbraw/zinc/07/85/96/573078596.db2.gz VGUYUUDVLZRZQG-YUMQZZPRSA-N 0 0 168.240 1.293 10 0 ADAERN C/C=C(C)/C=C/C(=O)OCCCO 308251365 573078450 /nfs/dbraw/zinc/07/84/50/573078450.db2.gz BEQGERCCVUJGIS-XPVIYQEVSA-N 0 0 184.235 1.434 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2ccc[nH]2)O1 88140755 573078451 /nfs/dbraw/zinc/07/84/51/573078451.db2.gz IXFMPHQXEGBSLX-IONNQARKSA-N 0 0 179.219 1.765 10 0 ADAERN CC/C=C/C(=O)NC[C@@H](O)C(C)C 308490977 573078455 /nfs/dbraw/zinc/07/84/55/573078455.db2.gz RDCUEIGYHWSMHV-VUHVRTRXSA-N 0 0 185.267 1.086 10 0 ADAERN Fc1cncc(N[C@H]2C[C@@H]2C2CC2)n1 717105652 573078461 /nfs/dbraw/zinc/07/84/61/573078461.db2.gz CSAPVGFYSBFAKK-SFYZADRCSA-N 0 0 193.225 1.826 10 0 ADAERN Cc1ccc([C@@H]2C[C@H](O)CCO2)nc1 88136461 573078514 /nfs/dbraw/zinc/07/85/14/573078514.db2.gz RCPFEPYOFKQDRY-KOLCDFICSA-N 0 0 193.246 1.602 10 0 ADAERN Nc1ccc(C(=O)OC(F)F)nc1 88138173 573078521 /nfs/dbraw/zinc/07/85/21/573078521.db2.gz JHGGUXSNEGMFRM-UHFFFAOYSA-N 0 0 188.133 1.043 10 0 ADAERN CC[C@H](C)ONC(=O)N[C@H]1C[C@H]1C 308251678 573078582 /nfs/dbraw/zinc/07/85/82/573078582.db2.gz BLMDHYCDSVCCFK-CSMHCCOUSA-N 0 0 186.255 1.424 10 0 ADAERN Cc1ccc(CC[C@@H](C)O)nc1 88135570 573078572 /nfs/dbraw/zinc/07/85/72/573078572.db2.gz CEQHRHXDSUWIJP-SECBINFHSA-N 0 0 165.236 1.703 10 0 ADAERN CCOc1cc(O)c(C=O)c(O)c1C 238269907 573078584 /nfs/dbraw/zinc/07/85/84/573078584.db2.gz XTDHNHBTARMIFF-UHFFFAOYSA-N 0 0 196.202 1.617 10 0 ADAERN C[C@H]1Nc2ccccc2CO1 104618986 573078631 /nfs/dbraw/zinc/07/86/31/573078631.db2.gz MFTGTJHCCIGMQV-ZETCQYMHSA-N 0 0 149.193 1.975 10 0 ADAERN CC[C@H](F)CF 114466613 573078647 /nfs/dbraw/zinc/07/86/47/573078647.db2.gz VHJOGNLCVJAXFE-BYPYZUCNSA-N 0 0 94.104 1.704 10 0 ADAERN CCON(C)C(=O)c1coc(C)c1 308250942 573078676 /nfs/dbraw/zinc/07/86/76/573078676.db2.gz BRCGOAUAHIAMOV-UHFFFAOYSA-N 0 0 183.207 1.612 10 0 ADAERN C1=C(c2ccccc2)N1 104617905 573078688 /nfs/dbraw/zinc/07/86/88/573078688.db2.gz CUJHORJMHPUJGW-UHFFFAOYSA-N 0 0 117.151 1.588 10 0 ADAERN CCC[C@@H]1CCO[C@H](O)C1 238269236 573078697 /nfs/dbraw/zinc/07/86/97/573078697.db2.gz FPBXNWPRVDWZAF-SFYZADRCSA-N 0 0 144.214 1.532 10 0 ADAERN CONC[C@@H]1Cc2ccccc21 85574283 573078715 /nfs/dbraw/zinc/07/87/15/573078715.db2.gz HITPVVJDYDMXBY-VIFPVBQESA-N 0 0 163.220 1.477 10 0 ADAERN C/C=C\[C@H](C)[C@@H](C)C(N)=O 211871436 573079417 /nfs/dbraw/zinc/07/94/17/573079417.db2.gz UPQRNZUYMQQXES-SXGPTOSISA-N 0 0 141.214 1.320 10 0 ADAERN O=Cc1cccn1[C@@H]1CCOC1 85580480 573078743 /nfs/dbraw/zinc/07/87/43/573078743.db2.gz RDMLKVOXKXPSEY-SECBINFHSA-N 0 0 165.192 1.262 10 0 ADAERN CCOc1cc(O)c(C(C)=O)cc1O 238269638 573078750 /nfs/dbraw/zinc/07/87/50/573078750.db2.gz FULXDJGCZNPXKD-UHFFFAOYSA-N 0 0 196.202 1.699 10 0 ADAERN CC[C@@H](C)C[C@@]1(C)NC(=O)NC1=O 238270156 573078779 /nfs/dbraw/zinc/07/87/79/573078779.db2.gz PAAUQZYVVZQFOB-HZGVNTEJSA-N 0 0 184.239 1.021 10 0 ADAERN CCCC[C@@H](C)[C@H](O)c1ncnn1C 308491617 573078786 /nfs/dbraw/zinc/07/87/86/573078786.db2.gz QZXBSXPLRHBCGY-BDAKNGLRSA-N 0 0 197.282 1.675 10 0 ADAERN C[C@@H]1Nc2ccccc2CO1 104618983 573078798 /nfs/dbraw/zinc/07/87/98/573078798.db2.gz MFTGTJHCCIGMQV-SSDOTTSWSA-N 0 0 149.193 1.975 10 0 ADAERN NC(=S)NC[C@@H]1Cc2ccccc21 85578326 573078807 /nfs/dbraw/zinc/07/88/07/573078807.db2.gz XISZJINLONNLFR-QMMMGPOBSA-N 0 0 192.287 1.160 10 0 ADAERN CCCNC(=O)NC1(C(F)F)CC1 308490611 573078813 /nfs/dbraw/zinc/07/88/13/573078813.db2.gz RBQYRTPQCBQRPE-UHFFFAOYSA-N 0 0 192.209 1.493 10 0 ADAERN C/C=C/COC(=O)C1CCOCC1 308251740 573078818 /nfs/dbraw/zinc/07/88/18/573078818.db2.gz BPCKBIQZSICYIN-NSCUHMNNSA-N 0 0 184.235 1.532 10 0 ADAERN C[C@H]1CC[C@](O)(C(C)(C)C)CO1 401808178 573078827 /nfs/dbraw/zinc/07/88/27/573078827.db2.gz BKEKSIPEQCRTKH-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN Nc1n[nH]c([C@H]2Cc3ccccc32)n1 85577086 573079419 /nfs/dbraw/zinc/07/94/19/573079419.db2.gz UAQDCOAJYAOHAS-QMMMGPOBSA-N 0 0 186.218 1.075 10 0 ADAERN Cc1ccc([C@H]2C[C@@H](O)CCO2)nc1 88136466 573078834 /nfs/dbraw/zinc/07/88/34/573078834.db2.gz RCPFEPYOFKQDRY-GXSJLCMTSA-N 0 0 193.246 1.602 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2ccc[nH]2)O1 88140756 573078846 /nfs/dbraw/zinc/07/88/46/573078846.db2.gz IXFMPHQXEGBSLX-APPZFPTMSA-N 0 0 179.219 1.765 10 0 ADAERN O=Cc1cncn1[C@H]1CC12CC2 715239816 573078861 /nfs/dbraw/zinc/07/88/61/573078861.db2.gz QHXMHZNEXYRTLR-QMMMGPOBSA-N 0 0 162.192 1.421 10 0 ADAERN Cc1ccc([C@H]2C[C@H](O)CCO2)nc1 88136463 573078862 /nfs/dbraw/zinc/07/88/62/573078862.db2.gz RCPFEPYOFKQDRY-MWLCHTKSSA-N 0 0 193.246 1.602 10 0 ADAERN Nc1ccsc1CNc1cn[nH]c1 85571960 573078869 /nfs/dbraw/zinc/07/88/69/573078869.db2.gz VAELOISNQXAYST-UHFFFAOYSA-N 0 0 194.263 1.666 10 0 ADAERN Cc1ccc([C@H](O)[C@H]2CCOC2)nc1 88136102 573078870 /nfs/dbraw/zinc/07/88/70/573078870.db2.gz HBDUEEYTWGLSRJ-GXSJLCMTSA-N 0 0 193.246 1.460 10 0 ADAERN [NH3+]Cc1cccn1Cc1ccncc1 85581927 573078885 /nfs/dbraw/zinc/07/88/85/573078885.db2.gz UWKIRJNALILNSU-UHFFFAOYSA-N 0 0 187.246 1.390 10 0 ADAERN Cc1c[nH]c(C(C)(C)O)c1 104618295 573078906 /nfs/dbraw/zinc/07/89/06/573078906.db2.gz FZCUCDSRMFBGEA-UHFFFAOYSA-N 0 0 139.198 1.551 10 0 ADAERN N#CNC[C@@H]1Cc2ccccc21 85578292 573078915 /nfs/dbraw/zinc/07/89/15/573078915.db2.gz HUBBSEZVDLUFQY-VIFPVBQESA-N 0 0 158.204 1.397 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2ccc[nH]2)O1 88140757 573078930 /nfs/dbraw/zinc/07/89/30/573078930.db2.gz IXFMPHQXEGBSLX-CBAPKCEASA-N 0 0 179.219 1.765 10 0 ADAERN Cc1cc(CNCc2cc[nH]c2)on1 85579669 573078936 /nfs/dbraw/zinc/07/89/36/573078936.db2.gz XEPSLPDYCCGQBI-UHFFFAOYSA-N 0 0 191.234 1.601 10 0 ADAERN CC[C@@H](C)C(=O)N(CC)C[C@H](C)O 308251076 573078988 /nfs/dbraw/zinc/07/89/88/573078988.db2.gz BDOADJOINFKXNT-BDAKNGLRSA-N 0 0 187.283 1.262 10 0 ADAERN O=Cc1ccn(CC2CCOCC2)c1 85581239 573078991 /nfs/dbraw/zinc/07/89/91/573078991.db2.gz LXAHHXFARMFNJJ-UHFFFAOYSA-N 0 0 193.246 1.727 10 0 ADAERN CC(=O)CC(=O)N(C)CC1CCCC1 82493165 573078996 /nfs/dbraw/zinc/07/89/96/573078996.db2.gz BGNXTIIVXIWADW-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN C/C=C\CCNC(=O)NCC(C)C 308251052 573078997 /nfs/dbraw/zinc/07/89/97/573078997.db2.gz BBVXUIOIVFPCAN-PLNGDYQASA-N 0 0 184.283 1.908 10 0 ADAERN Cc1ccc(-c2nccc(N)n2)nc1 88135176 573079002 /nfs/dbraw/zinc/07/90/02/573079002.db2.gz KZFMGASIWDQBTP-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCCc1ncc(C[C@H](C)O)o1 258231989 573079012 /nfs/dbraw/zinc/07/90/12/573079012.db2.gz VREOSCLKONNSSX-ZETCQYMHSA-N 0 0 169.224 1.550 10 0 ADAERN CN(C)c1c(N)cccc1F 88134785 573079020 /nfs/dbraw/zinc/07/90/20/573079020.db2.gz QIZBLQZSISFHHY-UHFFFAOYSA-N 0 0 154.188 1.474 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)Cc2ncc[nH]2)O1 88140694 573079027 /nfs/dbraw/zinc/07/90/27/573079027.db2.gz IHWGWZQPQQWGNH-VXNVDRBHSA-N 0 0 194.234 1.089 10 0 ADAERN Cc1cc(N[C@H](C)CO)c(N)cc1F 235460240 573079031 /nfs/dbraw/zinc/07/90/31/573079031.db2.gz MTIOFFNGCMMUFQ-SSDOTTSWSA-N 0 0 198.241 1.509 10 0 ADAERN CCOc1cc(N)c2c(c1)C(=O)CC2 238270238 573079052 /nfs/dbraw/zinc/07/90/52/573079052.db2.gz AKIZEXPPYLHDKF-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN CC[C@@]1(C)C[C@@H](C(N)=O)CCO1 238269564 573079062 /nfs/dbraw/zinc/07/90/62/573079062.db2.gz NIUZUKDQBRNJAL-CBAPKCEASA-N 0 0 171.240 1.067 10 0 ADAERN CC(C)CCOC(=O)N1CCC(=O)C1 258476343 573079069 /nfs/dbraw/zinc/07/90/69/573079069.db2.gz AZRAEELBCHMPIS-UHFFFAOYSA-N 0 0 199.250 1.444 10 0 ADAERN Cc1cc(Cl)cc(CNN)c1 88139493 573079072 /nfs/dbraw/zinc/07/90/72/573079072.db2.gz VZARDJSQYPUBET-UHFFFAOYSA-N 0 0 170.643 1.612 10 0 ADAERN CC[C@@H](C)N(C)C(=O)C[C@@H](C)OC 308251029 573079086 /nfs/dbraw/zinc/07/90/86/573079086.db2.gz BAJFQDDQCMFHJO-RKDXNWHRSA-N 0 0 187.283 1.668 10 0 ADAERN CCc1nc([C@@H](N)COC(C)C)no1 128608276 573079094 /nfs/dbraw/zinc/07/90/94/573079094.db2.gz GYQQLPOVDOGMIZ-ZETCQYMHSA-N 0 0 199.254 1.057 10 0 ADAERN CCNC(=S)C(C)(C)C 104618019 573079111 /nfs/dbraw/zinc/07/91/11/573079111.db2.gz QSFCDLXQSACOMT-UHFFFAOYSA-N 0 0 145.271 1.969 10 0 ADAERN CC[C@@H]1C(=O)N[C@H]1c1csc(C)n1 238269898 573079155 /nfs/dbraw/zinc/07/91/55/573079155.db2.gz AZBMYGGLIABQBQ-POYBYMJQSA-N 0 0 196.275 1.649 10 0 ADAERN Cc1nonc1Cn1cccc1C=O 85580280 573079175 /nfs/dbraw/zinc/07/91/75/573079175.db2.gz LJXOUYYXZRCLNO-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN CSCC1=NC=C(C)S1(=O)=O 257940104 573079191 /nfs/dbraw/zinc/07/91/91/573079191.db2.gz VHMCTAFBVUKHKJ-UHFFFAOYSA-N 0 0 191.277 1.038 10 0 ADAERN Cc1ccc(NCO)cc1 104619570 573079227 /nfs/dbraw/zinc/07/92/27/573079227.db2.gz REMBCRMECYJRQV-UHFFFAOYSA-N 0 0 137.182 1.357 10 0 ADAERN O=Cc1ccn(Cc2cccnc2)c1 85580991 573079247 /nfs/dbraw/zinc/07/92/47/573079247.db2.gz HOFWQLRGNNCQTP-UHFFFAOYSA-N 0 0 186.214 1.744 10 0 ADAERN CCCC[C@@]1(O)CO[C@H](C)C1 401808703 573079555 /nfs/dbraw/zinc/07/95/55/573079555.db2.gz DBDVGGFKANJTTQ-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN Cc1ccc(-c2ncc(N)cn2)nc1 88134978 573079262 /nfs/dbraw/zinc/07/92/62/573079262.db2.gz SVCDCDOSAMJGGA-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN C/C=C/C[S@](=O)CCn1cccn1 308251669 573079265 /nfs/dbraw/zinc/07/92/65/573079265.db2.gz BLCWPSSPBQKVPN-IBUXWKBASA-N 0 0 198.291 1.208 10 0 ADAERN CC(=O)CC(=O)N1CCC[C@@H](C)CC1 82490927 573079291 /nfs/dbraw/zinc/07/92/91/573079291.db2.gz POCSURXADPEMSR-SECBINFHSA-N 0 0 197.278 1.614 10 0 ADAERN CC[C@@H](C)C(=O)O[C@@H](C)C(=O)OC 308251426 573079292 /nfs/dbraw/zinc/07/92/92/573079292.db2.gz BIOYTIVNZGXYCK-RQJHMYQMSA-N 0 0 188.223 1.137 10 0 ADAERN O=Cc1ccn(CC(F)(F)F)c1 85580896 573079295 /nfs/dbraw/zinc/07/92/95/573079295.db2.gz VWJBYYNQYXXULO-UHFFFAOYSA-N 0 0 177.125 1.863 10 0 ADAERN C=COCCOC(=O)CCOCC 308250961 573079326 /nfs/dbraw/zinc/07/93/26/573079326.db2.gz BRMZGOJWYNWBDF-UHFFFAOYSA-N 0 0 188.223 1.116 10 0 ADAERN C=C=CC[C@H](O)CC 238269309 573079559 /nfs/dbraw/zinc/07/95/59/573079559.db2.gz MUUUOVFYCHZRSY-SSDOTTSWSA-N 0 0 112.172 1.489 10 0 ADAERN CC(C)(O)CCNc1ccccc1N 114481790 573079353 /nfs/dbraw/zinc/07/93/53/573079353.db2.gz HOQZAYCWATWMGP-UHFFFAOYSA-N 0 0 194.278 1.842 10 0 ADAERN CC[C@H]1NC(=O)[C@@]2(C)C(=O)CCC[C@@H]12 238269800 573079363 /nfs/dbraw/zinc/07/93/63/573079363.db2.gz YPQVNWTUXRYZKO-VAOFZXAKSA-N 0 0 195.262 1.270 10 0 ADAERN CCNc1nc(C)co1 104617860 573079364 /nfs/dbraw/zinc/07/93/64/573079364.db2.gz IOXICEKEMIPEBT-UHFFFAOYSA-N 0 0 126.159 1.415 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H](O)CCO2)nc1 88136465 573079366 /nfs/dbraw/zinc/07/93/66/573079366.db2.gz RCPFEPYOFKQDRY-ONGXEEELSA-N 0 0 193.246 1.602 10 0 ADAERN CC[C@]1(CO)C[C@H]1C 230441615 573079393 /nfs/dbraw/zinc/07/93/93/573079393.db2.gz FZDUVVOXKDMPRS-RNFRBKRXSA-N 0 0 114.188 1.415 10 0 ADAERN CC[C@H](O)c1ccc(C)cn1 88135962 573079433 /nfs/dbraw/zinc/07/94/33/573079433.db2.gz QUPOZEUXPKNHEN-VIFPVBQESA-N 0 0 151.209 1.833 10 0 ADAERN C[C@@H]1CC(C)(C)CC[C@]12COC(N)=N2 88133531 573079479 /nfs/dbraw/zinc/07/94/79/573079479.db2.gz PWSZCRFBHGEKEA-KCJUWKMLSA-N 0 0 196.294 1.916 10 0 ADAERN CC[C@@H]1C(=O)N[C@H]1c1cccs1 238269883 573079481 /nfs/dbraw/zinc/07/94/81/573079481.db2.gz SSWNGAGJFNGWNI-POYBYMJQSA-N 0 0 181.260 1.945 10 0 ADAERN CCOC(=O)c1cc2cncnc2o1 259323746 573079564 /nfs/dbraw/zinc/07/95/64/573079564.db2.gz KJBKCLYJVAVUSF-UHFFFAOYSA-N 0 0 192.174 1.400 10 0 ADAERN CCCC[C@]1(O)CO[C@H](C)C1 401808706 573079505 /nfs/dbraw/zinc/07/95/05/573079505.db2.gz DBDVGGFKANJTTQ-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN C/C=C\C(=O)O[C@@H]1CCCCC1=O 308252007 573079578 /nfs/dbraw/zinc/07/95/78/573079578.db2.gz BSSVFGRGQFUYOS-JHYPKJRRSA-N 0 0 182.219 1.617 10 0 ADAERN Nc1cccc(Cl)c1-c1nnco1 82514966 573079584 /nfs/dbraw/zinc/07/95/84/573079584.db2.gz AWDIYSDNJLOPHP-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Cc1ccc([C@H]2CC(=O)N[C@@H]2C)nc1 88136625 573079588 /nfs/dbraw/zinc/07/95/88/573079588.db2.gz NDTJSXGMBUPEIG-BDAKNGLRSA-N 0 0 190.246 1.382 10 0 ADAERN CCCCCC[C@@H](C)OC(=O)CO 308496462 573079590 /nfs/dbraw/zinc/07/95/90/573079590.db2.gz UFEKUPNUKAGZDP-SECBINFHSA-N 0 0 188.267 1.881 10 0 ADAERN CC[C@H](C)N[C@H](C)c1noc(C)n1 308490483 573079602 /nfs/dbraw/zinc/07/96/02/573079602.db2.gz QXAQDDBSNMWSPF-NKWVEPMBSA-N 0 0 183.255 1.827 10 0 ADAERN CC[C@@H](O)c1ccc(C)cn1 88135963 573079614 /nfs/dbraw/zinc/07/96/14/573079614.db2.gz QUPOZEUXPKNHEN-SECBINFHSA-N 0 0 151.209 1.833 10 0 ADAERN Cc1ccc(N)cc1-c1nncn1C 82505017 573079629 /nfs/dbraw/zinc/07/96/29/573079629.db2.gz XKWMKJOSPBICTK-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCOc1cc(O)cc2c1OCO2 238270634 573079631 /nfs/dbraw/zinc/07/96/31/573079631.db2.gz FTHHCGSDWFGJTL-UHFFFAOYSA-N 0 0 182.175 1.520 10 0 ADAERN C[C@@H]1CC[C@](O)(C(C)(C)C)CO1 401808174 573079638 /nfs/dbraw/zinc/07/96/38/573079638.db2.gz BKEKSIPEQCRTKH-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@]1(C)CC(=O)[C@H](O)C1 238269862 573079640 /nfs/dbraw/zinc/07/96/40/573079640.db2.gz FBPXRPSGBQUFSE-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN CC(C)OC1CCOCC1 114484472 573079687 /nfs/dbraw/zinc/07/96/87/573079687.db2.gz MEZCQZJDXVJARQ-UHFFFAOYSA-N 0 0 144.214 1.590 10 0 ADAERN COC(=N)Cc1nc2ccccc2[nH]1 82501229 573079653 /nfs/dbraw/zinc/07/96/53/573079653.db2.gz OGUHYSFKGCJJMA-UHFFFAOYSA-N 0 0 189.218 1.729 10 0 ADAERN COC[C@H](C)[C@H](C)Nc1ccn(C)n1 308490758 573079991 /nfs/dbraw/zinc/07/99/91/573079991.db2.gz BMMWZUHTZSAIPZ-IUCAKERBSA-N 0 0 197.282 1.503 10 0 ADAERN C/C=C(C)/C=C\C(=O)OCCCO 308251364 573079689 /nfs/dbraw/zinc/07/96/89/573079689.db2.gz BEQGERCCVUJGIS-JZDKOIQPSA-N 0 0 184.235 1.434 10 0 ADAERN O=Cc1cccn1CCCCCO 85580340 573079994 /nfs/dbraw/zinc/07/99/94/573079994.db2.gz HRHUNHDYFLHONI-UHFFFAOYSA-N 0 0 181.235 1.463 10 0 ADAERN Cc1noc(-c2cc(N)ccc2C)n1 82504993 573079734 /nfs/dbraw/zinc/07/97/34/573079734.db2.gz LWNGCOJTBUBMHX-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2cc[nH]c2)O1 88140759 573079735 /nfs/dbraw/zinc/07/97/35/573079735.db2.gz JDIGDIHHGAWIND-IONNQARKSA-N 0 0 179.219 1.765 10 0 ADAERN CCC(=O)CCN(CC)CC(F)F 308251967 573079765 /nfs/dbraw/zinc/07/97/65/573079765.db2.gz BQOLTGVCJSAALK-UHFFFAOYSA-N 0 0 193.237 1.943 10 0 ADAERN CCOC[C@@H](NN)C(C1CC1)C1CC1 308491168 573079779 /nfs/dbraw/zinc/07/97/79/573079779.db2.gz QSGQOYWVPOLPPO-SNVBAGLBSA-N 0 0 198.310 1.291 10 0 ADAERN CC[C@@H](C)C(=O)N(CC)C[C@@H](C)O 308251079 573079781 /nfs/dbraw/zinc/07/97/81/573079781.db2.gz BDOADJOINFKXNT-RKDXNWHRSA-N 0 0 187.283 1.262 10 0 ADAERN Nc1cc([C@@H]2Cc3ccccc32)no1 85577342 573079789 /nfs/dbraw/zinc/07/97/89/573079789.db2.gz VGIKEXZUYKZZHH-SECBINFHSA-N 0 0 186.214 1.945 10 0 ADAERN C/C=C(/C)C(=O)O[C@@H](C)CCO 78276126 573079794 /nfs/dbraw/zinc/07/97/94/573079794.db2.gz GGGMBZPTYUXRBB-NZGHECTNSA-N 0 0 172.224 1.267 10 0 ADAERN O=Cc1ccn(C[C@H]2CCCO2)c1 85581064 573079798 /nfs/dbraw/zinc/07/97/98/573079798.db2.gz AZQOKUYFNVKYTH-SNVBAGLBSA-N 0 0 179.219 1.480 10 0 ADAERN C=CC(=O)N1CCC[C@H](C)CC1 82489777 573079810 /nfs/dbraw/zinc/07/98/10/573079810.db2.gz HEPBMXIDLQURQD-VIFPVBQESA-N 0 0 167.252 1.821 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)OCC(F)F 308250994 573079811 /nfs/dbraw/zinc/07/98/11/573079811.db2.gz AZSXWMDFRANOBE-IYSWYEEDSA-N 0 0 194.177 1.220 10 0 ADAERN Cc1ccccc1C1=CC(=O)NC1=O 114439608 573079818 /nfs/dbraw/zinc/07/98/18/573079818.db2.gz RIGJHQFSJDRFFJ-UHFFFAOYSA-N 0 0 187.198 1.035 10 0 ADAERN CC[C@@]1(C)NC(=O)C(C)(C)S1 238271054 573079840 /nfs/dbraw/zinc/07/98/40/573079840.db2.gz VSLIOVUIWKSBFE-QMMMGPOBSA-N 0 0 173.281 1.754 10 0 ADAERN C/C=C/C=C\C(=O)N1CCSCC1 308250990 573079841 /nfs/dbraw/zinc/07/98/41/573079841.db2.gz AZPYYUNFBJDTKN-IAROGAJJSA-N 0 0 197.303 1.694 10 0 ADAERN CN(C)C(=O)Nc1c(N)cccc1F 88134488 573079842 /nfs/dbraw/zinc/07/98/42/573079842.db2.gz FKQPQMUOUGZWRC-UHFFFAOYSA-N 0 0 197.213 1.501 10 0 ADAERN C/C=C\C(=O)O[C@H]1CCCCC1=O 308252006 573079846 /nfs/dbraw/zinc/07/98/46/573079846.db2.gz BSSVFGRGQFUYOS-ANTNXHBISA-N 0 0 182.219 1.617 10 0 ADAERN NC(=S)NC[C@H]1Cc2ccccc21 85578324 573079849 /nfs/dbraw/zinc/07/98/49/573079849.db2.gz XISZJINLONNLFR-MRVPVSSYSA-N 0 0 192.287 1.160 10 0 ADAERN Nc1noc([C@@H]2Cc3ccccc32)n1 85577841 573079857 /nfs/dbraw/zinc/07/98/57/573079857.db2.gz GEOYMOSXWYFYBQ-MRVPVSSYSA-N 0 0 187.202 1.340 10 0 ADAERN [NH3+][C@H](C[C@H]1Cc2ccccc21)C(=O)[O-] 85574519 573079908 /nfs/dbraw/zinc/07/99/08/573079908.db2.gz VUYPFWQQTKHPLJ-PSASIEDQSA-N 0 0 191.230 1.128 10 0 ADAERN CC1CCC(c2nnc(CN)o2)CC1 123576956 573079923 /nfs/dbraw/zinc/07/99/23/573079923.db2.gz LUCAXVITAYFDSU-UHFFFAOYSA-N 0 0 195.266 1.822 10 0 ADAERN COC(=O)Nc1c(N)cccc1F 88134486 573079939 /nfs/dbraw/zinc/07/99/39/573079939.db2.gz GIEMESDUMCYZFG-UHFFFAOYSA-N 0 0 184.170 1.586 10 0 ADAERN CC[C@@]1(C)NC(=O)C[C@@H]1C 238271117 573079942 /nfs/dbraw/zinc/07/99/42/573079942.db2.gz ZALGXAWTNGZPPM-POYBYMJQSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@H]1CCCN(C(N)=S)CC1 82489895 573079948 /nfs/dbraw/zinc/07/99/48/573079948.db2.gz RQIGGBHTKZQGID-ZETCQYMHSA-N 0 0 172.297 1.352 10 0 ADAERN Cc1ccc([C@@H]2NCCS2)nc1 88136304 573079959 /nfs/dbraw/zinc/07/99/59/573079959.db2.gz ZONSUSSHRWSZQM-SECBINFHSA-N 0 0 180.276 1.725 10 0 ADAERN CC(=O)NCC1=CCCC1 104618861 573079974 /nfs/dbraw/zinc/07/99/74/573079974.db2.gz JERRFSUVPDJSEH-UHFFFAOYSA-N 0 0 139.198 1.233 10 0 ADAERN C[C@H](CO)CC1([C@H](C)O)CC1 235460205 573079978 /nfs/dbraw/zinc/07/99/78/573079978.db2.gz TVKBTOPXKHBUCC-YUMQZZPRSA-N 0 0 158.241 1.166 10 0 ADAERN Cc1ccc(Cn2nccc2N)nc1 88135615 573079981 /nfs/dbraw/zinc/07/99/81/573079981.db2.gz NVEZNEVEXLAWJD-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN C[C@H](N[C@@H]1C[C@H]1CO)c1cscn1 308251125 573079984 /nfs/dbraw/zinc/07/99/84/573079984.db2.gz HLNHRIAFTLOAPJ-BIIVOSGPSA-N 0 0 198.291 1.175 10 0 ADAERN O[C@@H]1COC[C@H]1c1ccccc1Cl 687983177 573080147 /nfs/dbraw/zinc/08/01/47/573080147.db2.gz SWDXBDGNJUXYND-WCBMZHEXSA-N 0 0 198.649 1.815 10 0 ADAERN Cc1ccc([C@H]2NCCS2)nc1 88136306 573080181 /nfs/dbraw/zinc/08/01/81/573080181.db2.gz ZONSUSSHRWSZQM-VIFPVBQESA-N 0 0 180.276 1.725 10 0 ADAERN CCSC(=O)NC1CC1 104617319 573080203 /nfs/dbraw/zinc/08/02/03/573080203.db2.gz KTOOFUYBVZVFCV-UHFFFAOYSA-N 0 0 145.227 1.612 10 0 ADAERN CC[C@@H](O)CCSC(C)=O 238270354 573080255 /nfs/dbraw/zinc/08/02/55/573080255.db2.gz FLCGNOWGEWHUNF-SSDOTTSWSA-N 0 0 162.254 1.427 10 0 ADAERN CNC(=O)c1c(N)cccc1Cl 82514860 573080257 /nfs/dbraw/zinc/08/02/57/573080257.db2.gz YQLROCFKAGTELQ-UHFFFAOYSA-N 0 0 184.626 1.282 10 0 ADAERN [NH3+][C@H](C[C@@H]1Cc2ccccc21)C(=O)[O-] 85574524 573080260 /nfs/dbraw/zinc/08/02/60/573080260.db2.gz VUYPFWQQTKHPLJ-WCBMZHEXSA-N 0 0 191.230 1.128 10 0 ADAERN [NH3+]Cc1cccn1CC1CCOCC1 85581950 573080268 /nfs/dbraw/zinc/08/02/68/573080268.db2.gz IHZJINGLMXBMCO-UHFFFAOYSA-N 0 0 194.278 1.373 10 0 ADAERN C[C@@H]1CC(C)(C)CC[C@@]12COC(N)=N2 88133526 573080283 /nfs/dbraw/zinc/08/02/83/573080283.db2.gz PWSZCRFBHGEKEA-LDYMZIIASA-N 0 0 196.294 1.916 10 0 ADAERN CCCC[C@H](C)[C@H](O)c1ncnn1C 308491620 573080300 /nfs/dbraw/zinc/08/03/00/573080300.db2.gz QZXBSXPLRHBCGY-IUCAKERBSA-N 0 0 197.282 1.675 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)N[C@H]2C)nc1 88136627 573080331 /nfs/dbraw/zinc/08/03/31/573080331.db2.gz NDTJSXGMBUPEIG-DTWKUNHWSA-N 0 0 190.246 1.382 10 0 ADAERN CC[C@@H]1CN[C@@H](C(F)(F)F)CO1 238270888 573080339 /nfs/dbraw/zinc/08/03/39/573080339.db2.gz QTAKHJUTSLQNRI-PHDIDXHHSA-N 0 0 183.173 1.316 10 0 ADAERN Cc1nc(Cn2cccc2C=O)no1 85580395 573080352 /nfs/dbraw/zinc/08/03/52/573080352.db2.gz ZHOVGKRIMUVMEX-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN CC1CCC(c2nc(N)no2)CC1 123570903 573080372 /nfs/dbraw/zinc/08/03/72/573080372.db2.gz DMJKVUPBHBWVON-UHFFFAOYSA-N 0 0 181.239 1.946 10 0 ADAERN OCC(F)(F)c1ccncc1 114495726 573080735 /nfs/dbraw/zinc/08/07/35/573080735.db2.gz AWGLOEVVEXGBCW-UHFFFAOYSA-N 0 0 159.135 1.166 10 0 ADAERN CC[C@]1(CO)C[C@@H]1C 230441607 573080383 /nfs/dbraw/zinc/08/03/83/573080383.db2.gz FZDUVVOXKDMPRS-NKWVEPMBSA-N 0 0 114.188 1.415 10 0 ADAERN C/C=C\C[N@H+](CC(N)=O)C(C)(C)C 308250978 573080394 /nfs/dbraw/zinc/08/03/94/573080394.db2.gz AYYGWQFJCPXTBK-WAYWQWQTSA-N 0 0 184.283 1.148 10 0 ADAERN CCN1CC(C)(C)C(=O)[C@@H]1C 238270224 573080398 /nfs/dbraw/zinc/08/03/98/573080398.db2.gz FYZDSKNCBOINGU-ZETCQYMHSA-N 0 0 155.241 1.306 10 0 ADAERN OCC1CC(O[C@@H]2CCCCO2)C1 114457731 573080399 /nfs/dbraw/zinc/08/03/99/573080399.db2.gz OLXAFQJJANIXRU-UDNWOFFPSA-N 0 0 186.251 1.301 10 0 ADAERN Cc1ccc([C@@H](O)C(F)F)nc1 88135937 573080416 /nfs/dbraw/zinc/08/04/16/573080416.db2.gz FFFYPXNNYXCDCC-SSDOTTSWSA-N 0 0 173.162 1.689 10 0 ADAERN CC(=O)COC(=O)/C=C(/C)C1CC1 308251154 573080417 /nfs/dbraw/zinc/08/04/17/573080417.db2.gz HMWDOUYTCBHKLQ-ALCCZGGFSA-N 0 0 182.219 1.475 10 0 ADAERN Cc1noc(Cn2ccc(C=O)c2)n1 85580943 573080445 /nfs/dbraw/zinc/08/04/45/573080445.db2.gz SPQZJAHJCQZHOD-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN [NH3+][C@@H](C[C@H]1Cc2ccccc21)C(=O)[O-] 85574512 573080648 /nfs/dbraw/zinc/08/06/48/573080648.db2.gz VUYPFWQQTKHPLJ-SCZZXKLOSA-N 0 0 191.230 1.128 10 0 ADAERN CC/C=C/NC(=O)OC 104619512 573080484 /nfs/dbraw/zinc/08/04/84/573080484.db2.gz VNYMKQWNOUINQH-SNAWJCMRSA-N 0 0 129.159 1.266 10 0 ADAERN CC[C@@]1(C)NC(=O)C(C)(C)O1 238271041 573080485 /nfs/dbraw/zinc/08/04/85/573080485.db2.gz FXJXHEMNUDELKB-QMMMGPOBSA-N 0 0 157.213 1.038 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)CCO2)nc1 88136468 573080491 /nfs/dbraw/zinc/08/04/91/573080491.db2.gz XTSYDWDWFSURDQ-NSHDSACASA-N 0 0 191.230 1.811 10 0 ADAERN O=Cc1ccn(Cc2ccno2)c1 85580678 573080515 /nfs/dbraw/zinc/08/05/15/573080515.db2.gz VEQXFNOOFRMFNX-UHFFFAOYSA-N 0 0 176.175 1.337 10 0 ADAERN CC(C)C[C@@H](C)[C@@H](NN)c1ncc[nH]1 308490851 573080520 /nfs/dbraw/zinc/08/05/20/573080520.db2.gz QQQSWYZRDGYWIW-RKDXNWHRSA-N 0 0 196.298 1.596 10 0 ADAERN [NH3+][C@@H](C[C@@H]1Cc2ccccc21)C(=O)[O-] 85574514 573080521 /nfs/dbraw/zinc/08/05/21/573080521.db2.gz VUYPFWQQTKHPLJ-WPRPVWTQSA-N 0 0 191.230 1.128 10 0 ADAERN Cc1n[nH]c(C)c1NCc1cc[nH]c1 85579042 573080527 /nfs/dbraw/zinc/08/05/27/573080527.db2.gz DDGPSNYYYFHGIA-UHFFFAOYSA-N 0 0 190.250 1.967 10 0 ADAERN C=C=C[P@@H](=O)OCC 143939530 573080546 /nfs/dbraw/zinc/08/05/46/573080546.db2.gz LFTAQOGJGMZSIL-UHFFFAOYSA-N 0 0 132.099 1.796 10 0 ADAERN CC(C)(C)SCNC=O 104616560 573080551 /nfs/dbraw/zinc/08/05/51/573080551.db2.gz FYWDRIKFRIOLTD-UHFFFAOYSA-N 0 0 147.243 1.222 10 0 ADAERN CC[C@@H](C)C(=O)O[C@H](C)C(=O)OC 308251425 573080671 /nfs/dbraw/zinc/08/06/71/573080671.db2.gz BIOYTIVNZGXYCK-RNFRBKRXSA-N 0 0 188.223 1.137 10 0 ADAERN N#CNC[C@H]1Cc2ccccc21 85578290 573080678 /nfs/dbraw/zinc/08/06/78/573080678.db2.gz HUBBSEZVDLUFQY-SECBINFHSA-N 0 0 158.204 1.397 10 0 ADAERN C[C@@H](CO)OC(=O)C1CCCCC1 224924358 573080691 /nfs/dbraw/zinc/08/06/91/573080691.db2.gz HEYFSTSBVPSLCJ-QMMMGPOBSA-N 0 0 186.251 1.491 10 0 ADAERN O[C@H]1COC[C@@H]1c1ccccc1Cl 687983176 573080694 /nfs/dbraw/zinc/08/06/94/573080694.db2.gz SWDXBDGNJUXYND-SCZZXKLOSA-N 0 0 198.649 1.815 10 0 ADAERN C/C=C/C[S@@](=O)CCn1cccn1 308251671 573080696 /nfs/dbraw/zinc/08/06/96/573080696.db2.gz BLCWPSSPBQKVPN-YWVDXFKGSA-N 0 0 198.291 1.208 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)OCC(F)F 308250991 573080733 /nfs/dbraw/zinc/08/07/33/573080733.db2.gz AZSXWMDFRANOBE-CAHLUQPWSA-N 0 0 194.177 1.220 10 0 ADAERN CC(C)C[C@@H](C)[C@H](NN)c1ncc[nH]1 308490845 573080716 /nfs/dbraw/zinc/08/07/16/573080716.db2.gz QQQSWYZRDGYWIW-BDAKNGLRSA-N 0 0 196.298 1.596 10 0 ADAERN CC[C@H](C(=O)OC)c1ccccn1 82505911 573080722 /nfs/dbraw/zinc/08/07/22/573080722.db2.gz GVBYMOYLNITFAY-QMMMGPOBSA-N 0 0 179.219 1.748 10 0 ADAERN CCNC1=N[C@@H]2CCCC[C@@H]2O1 238270190 573080727 /nfs/dbraw/zinc/08/07/27/573080727.db2.gz VGUYUUDVLZRZQG-SFYZADRCSA-N 0 0 168.240 1.293 10 0 ADAERN [NH3+]Cc1cccn1Cc1cscn1 85581578 573080742 /nfs/dbraw/zinc/08/07/42/573080742.db2.gz BCWFRUBLLZIIRP-UHFFFAOYSA-N 0 0 193.275 1.452 10 0 ADAERN NC(=O)Nc1c(N)cc(F)cc1F 88134440 573080744 /nfs/dbraw/zinc/08/07/44/573080744.db2.gz ULCIDNUFCJZLTO-UHFFFAOYSA-N 0 0 187.149 1.038 10 0 ADAERN CC(=O)Nc1c(N)cc(F)cc1F 88134220 573080756 /nfs/dbraw/zinc/08/07/56/573080756.db2.gz VUFFTSJWFVSMMA-UHFFFAOYSA-N 0 0 186.161 1.505 10 0 ADAERN Cc1ccc(-c2nccc(=O)[nH]2)nc1 88135013 573080768 /nfs/dbraw/zinc/08/07/68/573080768.db2.gz WPBCPFGDVPOCBN-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN C/C=C\Cn1nnnc1C(C)(C)C 308251985 573080769 /nfs/dbraw/zinc/08/07/69/573080769.db2.gz BROXQJBVEGTZSK-WAYWQWQTSA-N 0 0 180.255 1.547 10 0 ADAERN C[C@H](N[C@@H]1C[C@@H]1CO)c1cscn1 308251128 573080777 /nfs/dbraw/zinc/08/07/77/573080777.db2.gz HLNHRIAFTLOAPJ-XLPZGREQSA-N 0 0 198.291 1.175 10 0 ADAERN C=CSC(=O)NC 104617226 573080782 /nfs/dbraw/zinc/08/07/82/573080782.db2.gz DTSXSKFJNDMCSS-UHFFFAOYSA-N 0 0 117.173 1.203 10 0 ADAERN CC[C@@H]1C(=O)NC[C@H]1c1ccccc1 238269806 573080788 /nfs/dbraw/zinc/08/07/88/573080788.db2.gz ZOXVKMPLJRIZEU-QWRGUYRKSA-N 0 0 189.258 1.926 10 0 ADAERN CC/C=C\C(=O)NC[C@@H](O)C(C)C 308490975 573080790 /nfs/dbraw/zinc/08/07/90/573080790.db2.gz RDCUEIGYHWSMHV-SSJHQANKSA-N 0 0 185.267 1.086 10 0 ADAERN CC[C@@H](C)N[C@H](C)c1noc(C)n1 308490487 573080797 /nfs/dbraw/zinc/08/07/97/573080797.db2.gz QXAQDDBSNMWSPF-RNFRBKRXSA-N 0 0 183.255 1.827 10 0 ADAERN C/C=C/Cn1ccc(C=O)c1 85580681 573080811 /nfs/dbraw/zinc/08/08/11/573080811.db2.gz QLGZBBHYFGSXOZ-NSCUHMNNSA-N 0 0 149.193 1.877 10 0 ADAERN C/C=C(/C)C(=O)O[C@H](C)CCO 78276131 573080813 /nfs/dbraw/zinc/08/08/13/573080813.db2.gz GGGMBZPTYUXRBB-RBMBQVQZSA-N 0 0 172.224 1.267 10 0 ADAERN CCCC[C@@H](C)[C@@H](O)c1ncnn1C 308491622 573080837 /nfs/dbraw/zinc/08/08/37/573080837.db2.gz QZXBSXPLRHBCGY-RKDXNWHRSA-N 0 0 197.282 1.675 10 0 ADAERN CC[C@@]1(C)NC(=O)C[C@H]1C 238271129 573080838 /nfs/dbraw/zinc/08/08/38/573080838.db2.gz ZALGXAWTNGZPPM-HTRCEHHLSA-N 0 0 141.214 1.311 10 0 ADAERN S=C1CC=CC=CN1 104617103 573080840 /nfs/dbraw/zinc/08/08/40/573080840.db2.gz BZUBRHBDSZEBOF-UHFFFAOYSA-N 0 0 125.196 1.377 10 0 ADAERN CC(C)n1ncnc1[C@@H](C)C[C@@H](C)O 308491612 573080842 /nfs/dbraw/zinc/08/08/42/573080842.db2.gz QZVZUKRNFURPSY-DTWKUNHWSA-N 0 0 197.282 1.733 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H]2CCOC2)nc1 88136100 573080845 /nfs/dbraw/zinc/08/08/45/573080845.db2.gz HBDUEEYTWGLSRJ-KOLCDFICSA-N 0 0 193.246 1.460 10 0 ADAERN CCC[C@@H]1CC[C@H](C)O[C@@H]1O 238270882 573080846 /nfs/dbraw/zinc/08/08/46/573080846.db2.gz PMMVBNVUBRCFBX-YIZRAAEISA-N 0 0 158.241 1.920 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)Cc2ncc[nH]2)O1 88140696 573080852 /nfs/dbraw/zinc/08/08/52/573080852.db2.gz IHWGWZQPQQWGNH-APPZFPTMSA-N 0 0 194.234 1.089 10 0 ADAERN CCOc1cc(O)cc(O)c1C(C)=O 238270498 573080870 /nfs/dbraw/zinc/08/08/70/573080870.db2.gz ZLKPPSDKYSNHPX-UHFFFAOYSA-N 0 0 196.202 1.699 10 0 ADAERN CCCCc1oc(N)nc1C 238269295 573080874 /nfs/dbraw/zinc/08/08/74/573080874.db2.gz GTRPFXCSWISURW-UHFFFAOYSA-N 0 0 154.213 1.908 10 0 ADAERN Nc1nc(Cc2cccc(F)c2)co1 258476302 573080886 /nfs/dbraw/zinc/08/08/86/573080886.db2.gz AYZZVOMQCGPGPC-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN CC(C)C[C@H](C)[C@H](NN)c1ncc[nH]1 308490850 573080895 /nfs/dbraw/zinc/08/08/95/573080895.db2.gz QQQSWYZRDGYWIW-IUCAKERBSA-N 0 0 196.298 1.596 10 0 ADAERN c1cnnc(C[C@H]2CCCO2)c1 259323973 573080913 /nfs/dbraw/zinc/08/09/13/573080913.db2.gz DUHYEPXGMIHVMN-SECBINFHSA-N 0 0 164.208 1.198 10 0 ADAERN COc1c[nH]c(C)c1C 104619458 573080921 /nfs/dbraw/zinc/08/09/21/573080921.db2.gz BYJHJJNUAZHAHD-UHFFFAOYSA-N 0 0 125.171 1.640 10 0 ADAERN C[C@@H](O)CCc1cc[nH]c1 85578905 573080931 /nfs/dbraw/zinc/08/09/31/573080931.db2.gz XFCLSJCOFDPILO-SSDOTTSWSA-N 0 0 139.198 1.328 10 0 ADAERN [NH3+]Cc1cccn1C(F)F 85581843 573080956 /nfs/dbraw/zinc/08/09/56/573080956.db2.gz MMOKIZJDEDBHJP-UHFFFAOYSA-N 0 0 146.140 1.342 10 0 ADAERN COCc1nc(Br)c[nH]1 257940125 573080960 /nfs/dbraw/zinc/08/09/60/573080960.db2.gz VIFPODMWUAHCJZ-UHFFFAOYSA-N 0 0 191.028 1.319 10 0 ADAERN CNc1nc(Cl)ns1 104618545 573080991 /nfs/dbraw/zinc/08/09/91/573080991.db2.gz UHZREDDUMUKMIM-UHFFFAOYSA-N 0 0 149.606 1.233 10 0 ADAERN COc1cc(N2CC=CC2)ccc1N 114456993 573080999 /nfs/dbraw/zinc/08/09/99/573080999.db2.gz URPCOCVFVHARET-UHFFFAOYSA-N 0 0 190.246 1.654 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)N[C@@H]2C)nc1 88136623 573081015 /nfs/dbraw/zinc/08/10/15/573081015.db2.gz NDTJSXGMBUPEIG-RKDXNWHRSA-N 0 0 190.246 1.382 10 0 ADAERN CC[C@H](O)CN(CCC(C)C)OC 308491120 573081021 /nfs/dbraw/zinc/08/10/21/573081021.db2.gz RGCFLWSMIANBRZ-JTQLQIEISA-N 0 0 189.299 1.667 10 0 ADAERN Cc1ccc([C@@H](O)C2CC2)nc1 88135921 573081080 /nfs/dbraw/zinc/08/10/80/573081080.db2.gz ZSVMZZNAEDCAJH-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN C[C@@H](CO)COC(=O)C=C1CCC1 308253508 573082560 /nfs/dbraw/zinc/08/25/60/573082560.db2.gz JABYMVRVNJOPRK-QMMMGPOBSA-N 0 0 184.235 1.268 10 0 ADAERN CCN1CCn2c(C=O)ccc2[C@@H]1C 238271550 573082780 /nfs/dbraw/zinc/08/27/80/573082780.db2.gz ZFYJWRAPZSOVDD-VIFPVBQESA-N 0 0 192.262 1.697 10 0 ADAERN CN(CC1CCCC1)C(N)=S 82492554 573081445 /nfs/dbraw/zinc/08/14/45/573081445.db2.gz YNMSJBZCQOMAGA-UHFFFAOYSA-N 0 0 172.297 1.352 10 0 ADAERN CC[C@H](C)C(=O)O[C@@H](C)C(=O)OC 308251423 573081449 /nfs/dbraw/zinc/08/14/49/573081449.db2.gz BIOYTIVNZGXYCK-BQBZGAKWSA-N 0 0 188.223 1.137 10 0 ADAERN Cc1ccc(C2=NNC(=N)CC2)nc1 88135483 573081451 /nfs/dbraw/zinc/08/14/51/573081451.db2.gz DKSRQPDFDNGPHU-UHFFFAOYSA-N 0 0 188.234 1.245 10 0 ADAERN CCCCCCO[C@H](C)O 114470885 573081457 /nfs/dbraw/zinc/08/14/57/573081457.db2.gz DYCRDXOGOYSIIA-MRVPVSSYSA-N 0 0 146.230 1.922 10 0 ADAERN CC1(COC(=O)c2csnn2)CC1 308251402 573081460 /nfs/dbraw/zinc/08/14/60/573081460.db2.gz BHHNDWUTKIQUCX-UHFFFAOYSA-N 0 0 198.247 1.495 10 0 ADAERN CCC(=O)CCc1cnc(OC)nc1 308492182 573081465 /nfs/dbraw/zinc/08/14/65/573081465.db2.gz RXKSRDVMHZSITL-UHFFFAOYSA-N 0 0 194.234 1.397 10 0 ADAERN O=Cc1ccn(C[C@@H]2CCCO2)c1 85581062 573082781 /nfs/dbraw/zinc/08/27/81/573082781.db2.gz AZQOKUYFNVKYTH-JTQLQIEISA-N 0 0 179.219 1.480 10 0 ADAERN C/C=C(\C)C(=O)O[C@@H](C)CCO 78276121 573081481 /nfs/dbraw/zinc/08/14/81/573081481.db2.gz GGGMBZPTYUXRBB-IPWDFOCMSA-N 0 0 172.224 1.267 10 0 ADAERN CC[C@H](C)N[C@@H](C)c1noc(C)n1 308490479 573081492 /nfs/dbraw/zinc/08/14/92/573081492.db2.gz QXAQDDBSNMWSPF-BQBZGAKWSA-N 0 0 183.255 1.827 10 0 ADAERN CC1(C)C(COC(=O)CO)C1(C)C 308251037 573081494 /nfs/dbraw/zinc/08/14/94/573081494.db2.gz BASVVOMYCGGIPG-UHFFFAOYSA-N 0 0 186.251 1.204 10 0 ADAERN Cc1ccc(CNn2cccc2)nc1 88135543 573081498 /nfs/dbraw/zinc/08/14/98/573081498.db2.gz XBWGPUFTOVMAGF-UHFFFAOYSA-N 0 0 187.246 1.935 10 0 ADAERN Cc1nonc1Cn1ccc(C=O)c1 85580637 573081539 /nfs/dbraw/zinc/08/15/39/573081539.db2.gz JVLMEWVNYHLWRY-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN C/C(=C/c1ccc(C)cn1)CO 88135646 573081549 /nfs/dbraw/zinc/08/15/49/573081549.db2.gz ZVIRINBLJJWRMJ-UITAMQMPSA-N 0 0 163.220 1.786 10 0 ADAERN C/C=C\COC(=O)C1CCOCC1 308251739 573081553 /nfs/dbraw/zinc/08/15/53/573081553.db2.gz BPCKBIQZSICYIN-IHWYPQMZSA-N 0 0 184.235 1.532 10 0 ADAERN Cc1ccc([C@H](O)C2CC2)nc1 88135919 573081555 /nfs/dbraw/zinc/08/15/55/573081555.db2.gz ZSVMZZNAEDCAJH-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN [NH3+]Cc1cccn1CC(F)(F)F 85581909 573081561 /nfs/dbraw/zinc/08/15/61/573081561.db2.gz QAXSKRGWMVCKRU-UHFFFAOYSA-N 0 0 178.157 1.509 10 0 ADAERN CC[C@H](C)N(C)C(=O)C[C@@H](C)OC 308251027 573081575 /nfs/dbraw/zinc/08/15/75/573081575.db2.gz BAJFQDDQCMFHJO-DTWKUNHWSA-N 0 0 187.283 1.668 10 0 ADAERN Nc1ccc(C(=O)OC2CCC2)nc1 88138045 573081588 /nfs/dbraw/zinc/08/15/88/573081588.db2.gz SZQQTOIADYHVHO-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN O=C1N=NC([C@@H]2Cc3ccccc32)O1 85577991 573081592 /nfs/dbraw/zinc/08/15/92/573081592.db2.gz ASZMFSFAJXKMAC-MRVPVSSYSA-N 0 0 188.186 1.463 10 0 ADAERN C[C@H](N[C@H]1C[C@H]1CO)c1cscn1 308251126 573081598 /nfs/dbraw/zinc/08/15/98/573081598.db2.gz HLNHRIAFTLOAPJ-FXQIFTODSA-N 0 0 198.291 1.175 10 0 ADAERN CCOC(=O)Nc1c(N)cccc1F 88134460 573081608 /nfs/dbraw/zinc/08/16/08/573081608.db2.gz NZSITCRHZNXVLI-UHFFFAOYSA-N 0 0 198.197 1.976 10 0 ADAERN CCc1c(Cl)cc[n+]([O-])c1C 114444983 573081639 /nfs/dbraw/zinc/08/16/39/573081639.db2.gz WGGUOTHEWAQOMO-UHFFFAOYSA-N 0 0 171.627 1.844 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[N@H+](C)C(C)C 78277222 573081643 /nfs/dbraw/zinc/08/16/43/573081643.db2.gz SXUMHPBMAOTLCW-SECBINFHSA-N 0 0 187.283 1.826 10 0 ADAERN Cc1ccc(CC[C@H](C)O)nc1 88135571 573081668 /nfs/dbraw/zinc/08/16/68/573081668.db2.gz CEQHRHXDSUWIJP-VIFPVBQESA-N 0 0 165.236 1.703 10 0 ADAERN Cc1nc(-c2ccccc2CO)n[nH]1 143933078 573081694 /nfs/dbraw/zinc/08/16/94/573081694.db2.gz DZKDOBJHNHXDDH-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](C)[C@H](CO)[C@H]1O 114434760 573081736 /nfs/dbraw/zinc/08/17/36/573081736.db2.gz UCRUTNJGISGZMY-RCWTZXSCSA-N 0 0 186.295 1.658 10 0 ADAERN CC[C@@H](F)CF 114466612 573081748 /nfs/dbraw/zinc/08/17/48/573081748.db2.gz VHJOGNLCVJAXFE-SCSAIBSYSA-N 0 0 94.104 1.704 10 0 ADAERN CC1CN(c2c(N)cccc2F)C1 88134745 573081814 /nfs/dbraw/zinc/08/18/14/573081814.db2.gz RYABUKOFPPOMGJ-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN CCOc1cc(O)c2c(c1)C(=O)CC2 238271476 573081844 /nfs/dbraw/zinc/08/18/44/573081844.db2.gz KFFGIJIRCFKXCT-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN CCC(CC)[C@H](O)[C@H](O)c1ccc[nH]1 308497388 573082800 /nfs/dbraw/zinc/08/28/00/573082800.db2.gz UGKHMWBQDUUXPZ-WDEREUQCSA-N 0 0 197.278 1.845 10 0 ADAERN CCCCCCO[C@@H](C)O 114470884 573081856 /nfs/dbraw/zinc/08/18/56/573081856.db2.gz DYCRDXOGOYSIIA-QMMMGPOBSA-N 0 0 146.230 1.922 10 0 ADAERN O=Cc1ccn(Cc2ccncc2)c1 85580674 573081861 /nfs/dbraw/zinc/08/18/61/573081861.db2.gz KVTMPZLQXVZNLD-UHFFFAOYSA-N 0 0 186.214 1.744 10 0 ADAERN CC[C@@H](C)N(OC)C(=O)N(C)CC 308253000 573082803 /nfs/dbraw/zinc/08/28/03/573082803.db2.gz CIMZAZOEGSSSEO-MRVPVSSYSA-N 0 0 188.271 1.720 10 0 ADAERN CCc1ccc(CON)c(F)c1 238272776 573081877 /nfs/dbraw/zinc/08/18/77/573081877.db2.gz WLSHXYVWVMQNLD-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN CC[C@@H]1CO[C@H](c2ccccn2)N1 238272263 573081884 /nfs/dbraw/zinc/08/18/84/573081884.db2.gz RKHJMGGTXPKLCS-PSASIEDQSA-N 0 0 178.235 1.479 10 0 ADAERN CCCCCC[C@H](O)CN(C)OC 308490608 573081887 /nfs/dbraw/zinc/08/18/87/573081887.db2.gz RBKPOEGONYDCAJ-JTQLQIEISA-N 0 0 189.299 1.811 10 0 ADAERN CC(C)(C)C(=O)[C@H](O)c1ccc[nH]1 259323371 573081941 /nfs/dbraw/zinc/08/19/41/573081941.db2.gz YDKRWMLIQXFOEC-MRVPVSSYSA-N 0 0 181.235 1.663 10 0 ADAERN O=Cc1cccn1[C@H]1CCOC1 85580482 573081957 /nfs/dbraw/zinc/08/19/57/573081957.db2.gz RDMLKVOXKXPSEY-VIFPVBQESA-N 0 0 165.192 1.262 10 0 ADAERN NC(=O)C1=CNc2ccccc2C1 114445702 573081971 /nfs/dbraw/zinc/08/19/71/573081971.db2.gz TWCKZRPQNIFPKA-UHFFFAOYSA-N 0 0 174.203 1.024 10 0 ADAERN OCC1COC2(CCCCC2)OC1 114440899 573082005 /nfs/dbraw/zinc/08/20/05/573082005.db2.gz DTFSESWVRVDKDY-UHFFFAOYSA-N 0 0 186.251 1.302 10 0 ADAERN [NH3+]Cc1cccn1Cc1cccnc1 85581853 573082017 /nfs/dbraw/zinc/08/20/17/573082017.db2.gz BDCUKINOMOLRNT-UHFFFAOYSA-N 0 0 187.246 1.390 10 0 ADAERN Cc1nc([C@@H]2Cc3ccccc32)n[nH]1 85577373 573082041 /nfs/dbraw/zinc/08/20/41/573082041.db2.gz USVDXIGZSGXGEA-SNVBAGLBSA-N 0 0 185.230 1.801 10 0 ADAERN OC1CN(C[C@@H]2Cc3ccccc32)C1 85576511 573082055 /nfs/dbraw/zinc/08/20/55/573082055.db2.gz WCWRAWNYQKQRSV-JTQLQIEISA-N 0 0 189.258 1.003 10 0 ADAERN OC1([C@H]2Cc3ccccc32)CC1 85577904 573082113 /nfs/dbraw/zinc/08/21/13/573082113.db2.gz KBYWSEPNDGWZGT-JTQLQIEISA-N 0 0 160.216 1.851 10 0 ADAERN CCCC[C@]1(O)CO[C@@H](C)C1 401808704 573082133 /nfs/dbraw/zinc/08/21/33/573082133.db2.gz DBDVGGFKANJTTQ-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN O=C1C=C(Cl)CCCN1 104623007 573082153 /nfs/dbraw/zinc/08/21/53/573082153.db2.gz WNYUTMHOXILZGU-UHFFFAOYSA-N 0 0 145.589 1.019 10 0 ADAERN OCC[C@H]1Cc2ccccc21 85575634 573082157 /nfs/dbraw/zinc/08/21/57/573082157.db2.gz FKEAUEYMZHPDOO-VIFPVBQESA-N 0 0 148.205 1.709 10 0 ADAERN CNSc1ccc(OC)c(OC)c1 259323496 573082166 /nfs/dbraw/zinc/08/21/66/573082166.db2.gz WHCCTUXLPZKWIB-UHFFFAOYSA-N 0 0 199.275 1.930 10 0 ADAERN CC[C@H]1N[C@@H](C(C)(C)C)N=C1OC 238272627 573082169 /nfs/dbraw/zinc/08/21/69/573082169.db2.gz QLOZWUABWLGELG-VXNVDRBHSA-N 0 0 184.283 1.785 10 0 ADAERN COC[C@@H](O)c1ccc(C)cn1 88136041 573082265 /nfs/dbraw/zinc/08/22/65/573082265.db2.gz NOLWXVFFXIYGHV-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN Nc1cc([C@@H]2Cc3ccccc32)on1 85578131 573082273 /nfs/dbraw/zinc/08/22/73/573082273.db2.gz NBNJDDHPXKYNRT-SECBINFHSA-N 0 0 186.214 1.945 10 0 ADAERN CC[C@@H](O)C[C@@H]1CC(C)=NO1 238271961 573082284 /nfs/dbraw/zinc/08/22/84/573082284.db2.gz OOKYKPMFXBSICN-SFYZADRCSA-N 0 0 157.213 1.312 10 0 ADAERN Cc1cnnc(Cl)c1N 224932329 573082290 /nfs/dbraw/zinc/08/22/90/573082290.db2.gz ZIBWVYUIHHVXHH-UHFFFAOYSA-N 0 0 143.577 1.021 10 0 ADAERN CC[C@H](C)CN1C(=O)[C@@H](C)N[C@@H]1CC 123583338 573082298 /nfs/dbraw/zinc/08/22/98/573082298.db2.gz DDKGELLAVKIGNU-AEJSXWLSSA-N 0 0 198.310 1.589 10 0 ADAERN c1ccc2c(c1)C[C@@H]2Cn1cncn1 85576832 573082302 /nfs/dbraw/zinc/08/23/02/573082302.db2.gz FNHGIJZEIJEKER-SNVBAGLBSA-N 0 0 185.230 1.618 10 0 ADAERN Nc1nnc([C@@H]2Cc3ccccc32)o1 85577090 573082305 /nfs/dbraw/zinc/08/23/05/573082305.db2.gz OARSXCHHXOMNQH-MRVPVSSYSA-N 0 0 187.202 1.340 10 0 ADAERN CONC[C@H]1Cc2ccccc21 85574285 573082315 /nfs/dbraw/zinc/08/23/15/573082315.db2.gz HITPVVJDYDMXBY-SECBINFHSA-N 0 0 163.220 1.477 10 0 ADAERN O=C1Cc2ccccc2NC1=O 114469426 573082318 /nfs/dbraw/zinc/08/23/18/573082318.db2.gz OECSGKJNSQDODP-UHFFFAOYSA-N 0 0 161.160 1.400 10 0 ADAERN CC(C)CCOC(=O)c1cocn1 308253506 573082324 /nfs/dbraw/zinc/08/23/24/573082324.db2.gz JABBELAAKICKMM-UHFFFAOYSA-N 0 0 183.207 1.878 10 0 ADAERN Nc1noc([C@H]2Cc3ccccc32)n1 85577840 573082357 /nfs/dbraw/zinc/08/23/57/573082357.db2.gz GEOYMOSXWYFYBQ-QMMMGPOBSA-N 0 0 187.202 1.340 10 0 ADAERN Cc1nnc(Cn2ccc(C=O)c2)o1 85581107 573082362 /nfs/dbraw/zinc/08/23/62/573082362.db2.gz WEZGBHBQYMPGPF-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN C[C@H](O)CCc1cc[nH]c1 85578903 573082371 /nfs/dbraw/zinc/08/23/71/573082371.db2.gz XFCLSJCOFDPILO-ZETCQYMHSA-N 0 0 139.198 1.328 10 0 ADAERN OCC[C@@H]1Cc2ccccc21 85575636 573082390 /nfs/dbraw/zinc/08/23/90/573082390.db2.gz FKEAUEYMZHPDOO-SECBINFHSA-N 0 0 148.205 1.709 10 0 ADAERN C[C@@H](CO)COC(=O)C1CC=CC1 308252787 573082405 /nfs/dbraw/zinc/08/24/05/573082405.db2.gz IQKPUZSIWUCMAG-QMMMGPOBSA-N 0 0 184.235 1.124 10 0 ADAERN Cc1cnc2ccc(C(N)=O)cc2c1 259323368 573082406 /nfs/dbraw/zinc/08/24/06/573082406.db2.gz WTJNRHZXJFMCIX-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 ADAERN CC[C@@H]1COC(c2ccc[nH]2)=N1 238271905 573082411 /nfs/dbraw/zinc/08/24/11/573082411.db2.gz SQNWOIWNKBRBRT-SSDOTTSWSA-N 0 0 164.208 1.570 10 0 ADAERN CCc1nc(Cl)cc(NC)n1 82509486 573082421 /nfs/dbraw/zinc/08/24/21/573082421.db2.gz LEECWMKBPZQCIF-UHFFFAOYSA-N 0 0 171.631 1.734 10 0 ADAERN C[C@@H]1Nc2ccccc2[C@@H]1O 104622486 573082441 /nfs/dbraw/zinc/08/24/41/573082441.db2.gz WTTNRIGHPZNTTE-IMTBSYHQSA-N 0 0 149.193 1.534 10 0 ADAERN CCOC(=O)c1cnc(C)[nH]c1=S 238271723 573082454 /nfs/dbraw/zinc/08/24/54/573082454.db2.gz WXOGLCWTMLEVKE-UHFFFAOYSA-N 0 0 198.247 1.624 10 0 ADAERN CCOC(=O)c1cnc(C)c(NC)c1 238271852 573082465 /nfs/dbraw/zinc/08/24/65/573082465.db2.gz XRACRSILYYPRQC-UHFFFAOYSA-N 0 0 194.234 1.608 10 0 ADAERN Nc1cc([C@H]2Cc3ccccc32)on1 85578129 573082473 /nfs/dbraw/zinc/08/24/73/573082473.db2.gz NBNJDDHPXKYNRT-VIFPVBQESA-N 0 0 186.214 1.945 10 0 ADAERN C[C@@](O)(C[C@@H]1CCCO1)C(F)F 689788548 573082474 /nfs/dbraw/zinc/08/24/74/573082474.db2.gz IZBFBVILLUPUEB-POYBYMJQSA-N 0 0 180.194 1.572 10 0 ADAERN Nc1cc([C@H]2Cc3ccccc32)[nH]n1 85577285 573082495 /nfs/dbraw/zinc/08/24/95/573082495.db2.gz PGPLWODDODCOJF-VIFPVBQESA-N 0 0 185.230 1.680 10 0 ADAERN CCC(=O)COC(=O)/C=C/C(C)C 308253022 573083322 /nfs/dbraw/zinc/08/33/22/573083322.db2.gz CJHBICHZCVXVJE-AATRIKPKSA-N 0 0 184.235 1.721 10 0 ADAERN CC[C@@H](O)Cc1cnc(C)cn1 238272826 573082516 /nfs/dbraw/zinc/08/25/16/573082516.db2.gz NUMLOHYIHCHHGZ-SECBINFHSA-N 0 0 166.224 1.098 10 0 ADAERN C[C@H]1CC[C@@](O)(C(C)(C)C)CO1 401808181 573082568 /nfs/dbraw/zinc/08/25/68/573082568.db2.gz BKEKSIPEQCRTKH-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@@H](O)CN[C@H](C)C(F)(F)F 308253311 573082585 /nfs/dbraw/zinc/08/25/85/573082585.db2.gz CLNDZVMRHHUHRX-RNFRBKRXSA-N 0 0 199.216 1.688 10 0 ADAERN Cc1cc(Cn2ccc(C=O)c2)on1 85580618 573082604 /nfs/dbraw/zinc/08/26/04/573082604.db2.gz ZGJRAGCUNFGVCX-UHFFFAOYSA-N 0 0 190.202 1.645 10 0 ADAERN Cc1cc(Cn2ccc(C=O)c2)no1 85580710 573082609 /nfs/dbraw/zinc/08/26/09/573082609.db2.gz RIEGWZMDGKBFQV-UHFFFAOYSA-N 0 0 190.202 1.645 10 0 ADAERN CCOc1nc[nH]c1C 104623698 573082643 /nfs/dbraw/zinc/08/26/43/573082643.db2.gz KIASLKQJMUZOKI-UHFFFAOYSA-N 0 0 126.159 1.117 10 0 ADAERN Cc1ccc(CCON)c(C)c1O 257942392 573082644 /nfs/dbraw/zinc/08/26/44/573082644.db2.gz DJFVZELEBQWRQC-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN Cc1nnc([C@H]2CC[C@@H](C)O2)[nH]1 88141685 573083460 /nfs/dbraw/zinc/08/34/60/573083460.db2.gz ODQSHKZBLUQLDL-IYSWYEEDSA-N 0 0 167.212 1.353 10 0 ADAERN Cc1ccoc1C(=O)O[C@H](C)CO 308253480 573082658 /nfs/dbraw/zinc/08/26/58/573082658.db2.gz IYVLKALRCDSBBT-SSDOTTSWSA-N 0 0 184.191 1.126 10 0 ADAERN CC(C)NC(=O)N[C@H](C)CC(F)F 308252279 573082666 /nfs/dbraw/zinc/08/26/66/573082666.db2.gz IEGSVMBHMIKSOH-ZCFIWIBFSA-N 0 0 194.225 1.738 10 0 ADAERN CCNC(=O)c1c(N)cccc1Cl 82514862 573082669 /nfs/dbraw/zinc/08/26/69/573082669.db2.gz QCEPNSDEBSSGFR-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN OC1CCC(Oc2ncccn2)CC1 114451218 573082676 /nfs/dbraw/zinc/08/26/76/573082676.db2.gz AXVZKXQBGLRAQH-UHFFFAOYSA-N 0 0 194.234 1.159 10 0 ADAERN CC[C@H]1CC[C@@H](C)C(=O)N1 104624048 573082683 /nfs/dbraw/zinc/08/26/83/573082683.db2.gz BFDRLMILMMUIPS-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN CC[C@@H](O)C[C@H]1CC(C)=NO1 238272415 573082708 /nfs/dbraw/zinc/08/27/08/573082708.db2.gz OOKYKPMFXBSICN-HTQZYQBOSA-N 0 0 157.213 1.312 10 0 ADAERN CN(C)C(=O)c1c(N)cccc1Cl 82514869 573082719 /nfs/dbraw/zinc/08/27/19/573082719.db2.gz KYXCJWRKFNPJFL-UHFFFAOYSA-N 0 0 198.653 1.624 10 0 ADAERN CC1=N[C@@H](C)N[C@H](C)C1 104623471 573082724 /nfs/dbraw/zinc/08/27/24/573082724.db2.gz CJHOUUBKTLWHJK-VDTYLAMSSA-N 0 0 126.203 1.175 10 0 ADAERN CC[C@H]1CC[C@H](C)C(=O)N1 104624039 573082746 /nfs/dbraw/zinc/08/27/46/573082746.db2.gz BFDRLMILMMUIPS-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN Cn1cc(Cn2ccc(C=O)c2)cn1 85581174 573082752 /nfs/dbraw/zinc/08/27/52/573082752.db2.gz QYTFCCLPZIWVJV-UHFFFAOYSA-N 0 0 189.218 1.082 10 0 ADAERN Cc1cc(F)c(CNO)cc1F 257942329 573082758 /nfs/dbraw/zinc/08/27/58/573082758.db2.gz DGUTYXGJQNBTKT-UHFFFAOYSA-N 0 0 173.162 1.752 10 0 ADAERN Cc1nnc(Cn2cccc2C=O)o1 85580518 573082775 /nfs/dbraw/zinc/08/27/75/573082775.db2.gz UZXQJZGRGBNSFZ-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN Cc1nc([C@H]2Cc3ccccc32)n[nH]1 85577376 573082822 /nfs/dbraw/zinc/08/28/22/573082822.db2.gz USVDXIGZSGXGEA-JTQLQIEISA-N 0 0 185.230 1.801 10 0 ADAERN CCOCn1ccc(C=O)c1 85580847 573082845 /nfs/dbraw/zinc/08/28/45/573082845.db2.gz FRFXQTYVNQNWSK-UHFFFAOYSA-N 0 0 153.181 1.295 10 0 ADAERN [NH3+]Cc1cccn1Cc1ccccn1 85581924 573082860 /nfs/dbraw/zinc/08/28/60/573082860.db2.gz CUBNTSUMFNBQGY-UHFFFAOYSA-N 0 0 187.246 1.390 10 0 ADAERN CNCc1ncc([C@H]2CC[C@H](C)O2)o1 88143303 573082889 /nfs/dbraw/zinc/08/28/89/573082889.db2.gz HLOIWYMTYBUICY-JGVFFNPUSA-N 0 0 196.250 1.634 10 0 ADAERN CCN1CCn2c(C=O)ccc2[C@H]1C 238271568 573082903 /nfs/dbraw/zinc/08/29/03/573082903.db2.gz ZFYJWRAPZSOVDD-SECBINFHSA-N 0 0 192.262 1.697 10 0 ADAERN CCc1nc2c(OC)cccn2c1N 82494696 573082911 /nfs/dbraw/zinc/08/29/11/573082911.db2.gz BWSLKLSGBZETKW-UHFFFAOYSA-N 0 0 191.234 1.488 10 0 ADAERN O=c1cnc2c(F)cc(F)cc2[nH]1 114432335 573082915 /nfs/dbraw/zinc/08/29/15/573082915.db2.gz VMASRJWYHUFZHD-UHFFFAOYSA-N 0 0 182.129 1.201 10 0 ADAERN CC(C)Cn1ccc(C=O)c1 85580571 573082916 /nfs/dbraw/zinc/08/29/16/573082916.db2.gz LBGLWGABCBHLHM-UHFFFAOYSA-N 0 0 151.209 1.957 10 0 ADAERN Cc1c[nH]c(=S)n1-c1cnn(C)c1 88146127 573082924 /nfs/dbraw/zinc/08/29/24/573082924.db2.gz OSUDCLZMLIHXBG-UHFFFAOYSA-N 0 0 194.263 1.577 10 0 ADAERN CCSc1nc[nH]c1C 104623703 573082935 /nfs/dbraw/zinc/08/29/35/573082935.db2.gz AWDQIALIAFKEDJ-UHFFFAOYSA-N 0 0 142.227 1.830 10 0 ADAERN CCc1ccc(C)cc1C(=O)CN 257942473 573082943 /nfs/dbraw/zinc/08/29/43/573082943.db2.gz DLYWCTCAPUBJPH-UHFFFAOYSA-N 0 0 177.247 1.699 10 0 ADAERN O=Cc1cncn1[C@@H]1CC12CC2 715239812 573082961 /nfs/dbraw/zinc/08/29/61/573082961.db2.gz QHXMHZNEXYRTLR-MRVPVSSYSA-N 0 0 162.192 1.421 10 0 ADAERN C[C@H](c1cnn(C)c1)N(C)CCF 308252079 573082977 /nfs/dbraw/zinc/08/29/77/573082977.db2.gz HZRJMSXUUISEBY-MRVPVSSYSA-N 0 0 185.246 1.382 10 0 ADAERN Cc1nc(Cn2ccc(C=O)c2)no1 85580839 573082978 /nfs/dbraw/zinc/08/29/78/573082978.db2.gz FPUWYAHNZMTGGQ-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN CC1=NO[C@H](CC(C)C)N1 104620100 573083010 /nfs/dbraw/zinc/08/30/10/573083010.db2.gz KOPUTBDJRDTDCB-SSDOTTSWSA-N 0 0 142.202 1.312 10 0 ADAERN Nc1ccc(N2CC=CC2)cn1 114457077 573083014 /nfs/dbraw/zinc/08/30/14/573083014.db2.gz NEWVRKSXRFYBNE-UHFFFAOYSA-N 0 0 161.208 1.040 10 0 ADAERN Nc1n[nH]c([C@@H]2Cc3ccccc32)n1 85577088 573083026 /nfs/dbraw/zinc/08/30/26/573083026.db2.gz UAQDCOAJYAOHAS-MRVPVSSYSA-N 0 0 186.218 1.075 10 0 ADAERN CCOC(=O)[C@@H]1C(C)=C[C@H](O)C[C@@H]1C 238272234 573083037 /nfs/dbraw/zinc/08/30/37/573083037.db2.gz WVRDTBDNRFRLSU-LPEHRKFASA-N 0 0 198.262 1.513 10 0 ADAERN CC[C@H](C)NC(=O)N(O)CC 238272613 573083046 /nfs/dbraw/zinc/08/30/46/573083046.db2.gz JNWBGDOIHUEUME-LURJTMIESA-N 0 0 160.217 1.206 10 0 ADAERN Nc1cc([C@@H]2Cc3ccccc32)[nH]n1 85577288 573083065 /nfs/dbraw/zinc/08/30/65/573083065.db2.gz PGPLWODDODCOJF-SECBINFHSA-N 0 0 185.230 1.680 10 0 ADAERN Cc1ncn(-c2ccc(O)cc2)n1 114451228 573083093 /nfs/dbraw/zinc/08/30/93/573083093.db2.gz WVUZLRQIWWGTSA-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN CCC[C@H]1CC(=O)C[C@H]1O 238271428 573083112 /nfs/dbraw/zinc/08/31/12/573083112.db2.gz SCYQCARFFQTKAI-POYBYMJQSA-N 0 0 142.198 1.127 10 0 ADAERN OC1CN(C[C@H]2Cc3ccccc32)C1 85576509 573083114 /nfs/dbraw/zinc/08/31/14/573083114.db2.gz WCWRAWNYQKQRSV-SNVBAGLBSA-N 0 0 189.258 1.003 10 0 ADAERN O=Cc1ccn(C(F)F)c1 85580727 573083129 /nfs/dbraw/zinc/08/31/29/573083129.db2.gz WRXKDMQOPOPVRU-UHFFFAOYSA-N 0 0 145.108 1.696 10 0 ADAERN CCCN(C)C(=O)N(C)C1CCC1 308497859 573083133 /nfs/dbraw/zinc/08/31/33/573083133.db2.gz UXGJLKSGPXHSJV-UHFFFAOYSA-N 0 0 184.283 1.933 10 0 ADAERN CC[C@@H]1CN[C@H](C(F)(F)F)CO1 238271494 573083137 /nfs/dbraw/zinc/08/31/37/573083137.db2.gz QTAKHJUTSLQNRI-RITPCOANSA-N 0 0 183.173 1.316 10 0 ADAERN CON(C[C@@H](C)CO)C1CCCC1 308497514 573083140 /nfs/dbraw/zinc/08/31/40/573083140.db2.gz URRAJPMLQXRCDP-SECBINFHSA-N 0 0 187.283 1.421 10 0 ADAERN CCC[C@H]1CC(=O)[C@@H](C)CO1 238271646 573083146 /nfs/dbraw/zinc/08/31/46/573083146.db2.gz PRPMTJBGIXMQGA-YUMQZZPRSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1cc(N)sc1-c1nc(N)no1 114456804 573083153 /nfs/dbraw/zinc/08/31/53/573083153.db2.gz BGVCVJAEWYMRSY-UHFFFAOYSA-N 0 0 196.235 1.271 10 0 ADAERN CSc1cc[nH]c(=O)c1 104621515 573083642 /nfs/dbraw/zinc/08/36/42/573083642.db2.gz VISHERBQTUKZQB-UHFFFAOYSA-N 0 0 141.195 1.097 10 0 ADAERN C[C@@H]1CC[C@@](O)(C(C)(C)C)CO1 401808177 573083643 /nfs/dbraw/zinc/08/36/43/573083643.db2.gz BKEKSIPEQCRTKH-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN C/C=C/C=C\C(=O)OC[C@H](C)CO 308252359 573083174 /nfs/dbraw/zinc/08/31/74/573083174.db2.gz BUINLTDHDTWJGT-WUYIJIDZSA-N 0 0 184.235 1.290 10 0 ADAERN CC(=O)[C@H]1CC[C@@H](C)O1 88143566 573083194 /nfs/dbraw/zinc/08/31/94/573083194.db2.gz LFPDZOOVHJRODT-IYSWYEEDSA-N 0 0 128.171 1.143 10 0 ADAERN C/C=C(\CC)CNC(C)=O 104620375 573083206 /nfs/dbraw/zinc/08/32/06/573083206.db2.gz HXJQGAGLLUDGHW-XBXARRHUSA-N 0 0 141.214 1.479 10 0 ADAERN O=Cc1ccn(Cc2ccccn2)c1 85581160 573083208 /nfs/dbraw/zinc/08/32/08/573083208.db2.gz MRVJHRDUJQGJAH-UHFFFAOYSA-N 0 0 186.214 1.744 10 0 ADAERN C[C@]12CC[C@H](O)[C@H]1C2 114473618 573083652 /nfs/dbraw/zinc/08/36/52/573083652.db2.gz BSWDRYYUQKQKFT-DSYKOEDSSA-N 0 0 112.172 1.167 10 0 ADAERN CCCCC1=CC(=O)NC1 104620657 573083225 /nfs/dbraw/zinc/08/32/25/573083225.db2.gz QNRPAXJZUWADLK-UHFFFAOYSA-N 0 0 139.198 1.233 10 0 ADAERN C/C=C/C=C/C(=O)OC[C@@H](C)CO 308252357 573083230 /nfs/dbraw/zinc/08/32/30/573083230.db2.gz BUINLTDHDTWJGT-RPOIFPIJSA-N 0 0 184.235 1.290 10 0 ADAERN C/C=C/C=C/C(=O)OC[C@H](C)CO 308252358 573083239 /nfs/dbraw/zinc/08/32/39/573083239.db2.gz BUINLTDHDTWJGT-UVFZJDOJSA-N 0 0 184.235 1.290 10 0 ADAERN CNCc1nnc([C@H]2CC[C@H](C)O2)o1 88142895 573083252 /nfs/dbraw/zinc/08/32/52/573083252.db2.gz NHHOEGFHRSYIOF-NKWVEPMBSA-N 0 0 197.238 1.029 10 0 ADAERN CCN[C@@H]1C=C2C=CC=CC=C2N1 238272442 573083261 /nfs/dbraw/zinc/08/32/61/573083261.db2.gz XFWMYLIGCQEWMQ-NSHDSACASA-N 0 0 174.247 1.462 10 0 ADAERN CC(C)(C)N1C(=O)CCCC1=O 114451727 573083676 /nfs/dbraw/zinc/08/36/76/573083676.db2.gz SRLKQUDOOBLOJU-UHFFFAOYSA-N 0 0 169.224 1.324 10 0 ADAERN CCc1c[nH]c(=S)n1[C@@H](C)C(N)=O 88146139 573083292 /nfs/dbraw/zinc/08/32/92/573083292.db2.gz YFBZYDDFGOJTTQ-YFKPBYRVSA-N 0 0 199.279 1.154 10 0 ADAERN CC[C@@]1(C)OC(=O)c2c1cc[nH]c2=O 238272569 573083300 /nfs/dbraw/zinc/08/33/00/573083300.db2.gz MVKSXMMFULVACS-SNVBAGLBSA-N 0 0 193.202 1.171 10 0 ADAERN Nc1cc([C@H]2Cc3ccccc32)no1 85577340 573083311 /nfs/dbraw/zinc/08/33/11/573083311.db2.gz VGIKEXZUYKZZHH-VIFPVBQESA-N 0 0 186.214 1.945 10 0 ADAERN CCc1oc(N)nc1-c1cc[nH]c1 259323395 573083316 /nfs/dbraw/zinc/08/33/16/573083316.db2.gz YDNWBXZHMONRIR-UHFFFAOYSA-N 0 0 177.207 1.814 10 0 ADAERN CC1=N[C@@H](C)N[C@@H](C)C1 104623474 573083317 /nfs/dbraw/zinc/08/33/17/573083317.db2.gz CJHOUUBKTLWHJK-FSPLSTOPSA-N 0 0 126.203 1.175 10 0 ADAERN O=Cc1cccn1Cc1ncccn1 85580455 573083339 /nfs/dbraw/zinc/08/33/39/573083339.db2.gz SRXRDRAPTUMVLU-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN CCc1nnc([C@@H]2CC[C@@H](C)O2)[nH]1 88141688 573083348 /nfs/dbraw/zinc/08/33/48/573083348.db2.gz VZIXLRHUDLTMNZ-RQJHMYQMSA-N 0 0 181.239 1.607 10 0 ADAERN C[C@H]1CCCC=C1CO 143940411 573083366 /nfs/dbraw/zinc/08/33/66/573083366.db2.gz QEPJGNYHAUGEBY-ZETCQYMHSA-N 0 0 126.199 1.725 10 0 ADAERN OC1([C@@H]2Cc3ccccc32)CC1 85577906 573083369 /nfs/dbraw/zinc/08/33/69/573083369.db2.gz KBYWSEPNDGWZGT-SNVBAGLBSA-N 0 0 160.216 1.851 10 0 ADAERN C/C=C/COC(=O)c1ncccn1 308252443 573083372 /nfs/dbraw/zinc/08/33/72/573083372.db2.gz BZQYJJVRPLMXTN-NSCUHMNNSA-N 0 0 178.191 1.210 10 0 ADAERN C=CNC(=O)CCC 104622745 573083375 /nfs/dbraw/zinc/08/33/75/573083375.db2.gz HAZULKRCTMKQAS-UHFFFAOYSA-N 0 0 113.160 1.046 10 0 ADAERN CCO/C=C(/C)CCCO 238271245 573083438 /nfs/dbraw/zinc/08/34/38/573083438.db2.gz GIUYFHHMBXGRAM-FPLPWBNLSA-N 0 0 144.214 1.699 10 0 ADAERN CCOC(=O)C(NC)(C1CC1)C1CC1 308498427 573083442 /nfs/dbraw/zinc/08/34/42/573083442.db2.gz UULLWQAMQASMDG-UHFFFAOYSA-N 0 0 197.278 1.328 10 0 ADAERN COC(=O)C(C)(C)NCC=C1CCC1 308498223 573083397 /nfs/dbraw/zinc/08/33/97/573083397.db2.gz FEYXYHMFGANZLR-UHFFFAOYSA-N 0 0 197.278 1.638 10 0 ADAERN c1cc(CNc2cn[nH]c2)c[nH]1 85579036 573083406 /nfs/dbraw/zinc/08/34/06/573083406.db2.gz CSWQGGPVDYOGMK-UHFFFAOYSA-N 0 0 162.196 1.350 10 0 ADAERN COC(C)(C)C(=O)O[C@@H](C)C(C)C 308497524 573083413 /nfs/dbraw/zinc/08/34/13/573083413.db2.gz URVDJCMJKWZMJN-QMMMGPOBSA-N 0 0 188.267 1.999 10 0 ADAERN Nc1cccc(N2CC=CC2)c1 114471745 573083420 /nfs/dbraw/zinc/08/34/20/573083420.db2.gz QVNGOOPVMWNYFL-UHFFFAOYSA-N 0 0 160.220 1.645 10 0 ADAERN C/C=C/CCC(=O)NC 104621258 573083425 /nfs/dbraw/zinc/08/34/25/573083425.db2.gz FSDBRKKZYIMIDY-ONEGZZNKSA-N 0 0 127.187 1.089 10 0 ADAERN FC1CC(F)C1 114463459 573083502 /nfs/dbraw/zinc/08/35/02/573083502.db2.gz QQETVNFAIRSQDR-UHFFFAOYSA-N 0 0 92.088 1.456 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)O1 88141805 573083505 /nfs/dbraw/zinc/08/35/05/573083505.db2.gz RNCMNPQZZCCECJ-YUMQZZPRSA-N 0 0 186.251 1.896 10 0 ADAERN CCC(CC)[C@@H](O)[C@@H](O)c1ccc[nH]1 308497386 573083507 /nfs/dbraw/zinc/08/35/07/573083507.db2.gz UGKHMWBQDUUXPZ-MNOVXSKESA-N 0 0 197.278 1.845 10 0 ADAERN CNCc1noc([C@H]2CC[C@@H](C)O2)n1 88142774 573083511 /nfs/dbraw/zinc/08/35/11/573083511.db2.gz ZBZCISJJEOKHGC-RNFRBKRXSA-N 0 0 197.238 1.029 10 0 ADAERN COCCn1c(C)c[nH]c1=S 88146003 573083524 /nfs/dbraw/zinc/08/35/24/573083524.db2.gz BHMUEBCRPHZCFG-UHFFFAOYSA-N 0 0 172.253 1.501 10 0 ADAERN C[C@@H]1CC[C@H](c2cnc(CN)o2)O1 88143286 573083531 /nfs/dbraw/zinc/08/35/31/573083531.db2.gz BJNWOTCWRULRAB-RNFRBKRXSA-N 0 0 182.223 1.373 10 0 ADAERN CCO/C=C/[C@H](O)C(F)(F)Cl 238271879 573083532 /nfs/dbraw/zinc/08/35/32/573083532.db2.gz BBAXDFYZZGKJAQ-BHYDHMSTSA-N 0 0 186.585 1.729 10 0 ADAERN Cc1nnc([C@@H]2CC[C@@H](C)O2)[nH]1 88141684 573083554 /nfs/dbraw/zinc/08/35/54/573083554.db2.gz ODQSHKZBLUQLDL-VDTYLAMSSA-N 0 0 167.212 1.353 10 0 ADAERN Nc1cnnc(-c2ccco2)c1 257942499 573083564 /nfs/dbraw/zinc/08/35/64/573083564.db2.gz LQXBCPGIUUZBMY-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN O=Nn1cc[nH]c1=S 104621794 573083567 /nfs/dbraw/zinc/08/35/67/573083567.db2.gz UWWNRORDFSASFN-UHFFFAOYSA-N 0 0 129.144 1.075 10 0 ADAERN CC1=C(C)CC(=O)NC=C1 104621453 573083573 /nfs/dbraw/zinc/08/35/73/573083573.db2.gz DVXPGSRVHPGTLY-UHFFFAOYSA-N 0 0 137.182 1.356 10 0 ADAERN CC(=O)Cc1ccc([C@@H](C)O)cc1 257942457 573083661 /nfs/dbraw/zinc/08/36/61/573083661.db2.gz DLHMLMYKUULJNQ-SECBINFHSA-N 0 0 178.231 1.871 10 0 ADAERN C[C@H]1CNc2cc(O)ccc21 104620148 573083594 /nfs/dbraw/zinc/08/35/94/573083594.db2.gz VMNLGBFSHOJFEI-LURJTMIESA-N 0 0 149.193 1.921 10 0 ADAERN Cc1c[nH]c(=S)n1-c1ccn(C)n1 88154104 573083596 /nfs/dbraw/zinc/08/35/96/573083596.db2.gz YFJUFRNXJYOUST-UHFFFAOYSA-N 0 0 194.263 1.577 10 0 ADAERN C/C=C\CN(C)Cc1noc(C)n1 308252447 573083599 /nfs/dbraw/zinc/08/35/99/573083599.db2.gz BZVCPUAHAKTTKJ-PLNGDYQASA-N 0 0 181.239 1.386 10 0 ADAERN C[C@](O)(C[C@H]1CCCO1)C(F)F 689788550 573083605 /nfs/dbraw/zinc/08/36/05/573083605.db2.gz IZBFBVILLUPUEB-SVRRBLITSA-N 0 0 180.194 1.572 10 0 ADAERN OC/C=C/C=C/c1ccc[nH]1 104623145 573083608 /nfs/dbraw/zinc/08/36/08/573083608.db2.gz PZSMGBXPUKTMOQ-MGBLWKCQSA-N 0 0 149.193 1.576 10 0 ADAERN CON(C[C@H](C)CO)C1CCCC1 308497517 573084650 /nfs/dbraw/zinc/08/46/50/573084650.db2.gz URRAJPMLQXRCDP-VIFPVBQESA-N 0 0 187.283 1.421 10 0 ADAERN Cc1c[nH]c(=S)n1C[C@H]1CCOC1 88146655 573084741 /nfs/dbraw/zinc/08/47/41/573084741.db2.gz HEJOWEZOEHIBDL-MRVPVSSYSA-N 0 0 198.291 1.891 10 0 ADAERN CCC[C@@H]1CNC(=O)[C@@H]1CC 238271965 573084265 /nfs/dbraw/zinc/08/42/65/573084265.db2.gz 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/nfs/dbraw/zinc/08/67/93/573086793.db2.gz DMGFRQQFOKSENH-UHFFFAOYSA-N 0 0 180.203 1.130 10 0 ADAERN C=CC(=O)Nc1ccncc1C 82523237 573086802 /nfs/dbraw/zinc/08/68/02/573086802.db2.gz BOVZWYINMTUNLF-UHFFFAOYSA-N 0 0 162.192 1.515 10 0 ADAERN CNOCCOc1ccccc1 257942437 573086807 /nfs/dbraw/zinc/08/68/07/573086807.db2.gz LPKIHXIYKYQIRV-UHFFFAOYSA-N 0 0 167.208 1.216 10 0 ADAERN CCC[C@H]1CC(=O)[C@H](C)CO1 238271752 573086816 /nfs/dbraw/zinc/08/68/16/573086816.db2.gz PRPMTJBGIXMQGA-SFYZADRCSA-N 0 0 156.225 1.781 10 0 ADAERN OCc1cccn1CC(F)(F)F 85587887 573086817 /nfs/dbraw/zinc/08/68/17/573086817.db2.gz CQVHMVKWYIIVLR-UHFFFAOYSA-N 0 0 179.141 1.543 10 0 ADAERN CNCc1nnc([C@@H]2CC[C@H](C)O2)o1 88142897 573086849 /nfs/dbraw/zinc/08/68/49/573086849.db2.gz NHHOEGFHRSYIOF-BQBZGAKWSA-N 0 0 197.238 1.029 10 0 ADAERN CN[C@@H](NN)c1coc2ccccc12 259324883 573086862 /nfs/dbraw/zinc/08/68/62/573086862.db2.gz RQZYNSNWCJBWCP-JTQLQIEISA-N 0 0 191.234 1.114 10 0 ADAERN CNCc1nnc([C@@H]2CC[C@@H](C)O2)o1 88142896 573086868 /nfs/dbraw/zinc/08/68/68/573086868.db2.gz NHHOEGFHRSYIOF-RQJHMYQMSA-N 0 0 197.238 1.029 10 0 ADAERN CNCc1noc([C@H]2CC[C@H](C)O2)n1 88142775 573086882 /nfs/dbraw/zinc/08/68/82/573086882.db2.gz ZBZCISJJEOKHGC-NKWVEPMBSA-N 0 0 197.238 1.029 10 0 ADAERN CCS(=O)(=O)c1ccccc1C=O 238271971 573086910 /nfs/dbraw/zinc/08/69/10/573086910.db2.gz KZMXELMUCBUVTL-UHFFFAOYSA-N 0 0 198.243 1.293 10 0 ADAERN CCC(CC)[C@@H](O)[C@H](O)c1ccc[nH]1 308497385 573086916 /nfs/dbraw/zinc/08/69/16/573086916.db2.gz UGKHMWBQDUUXPZ-GHMZBOCLSA-N 0 0 197.278 1.845 10 0 ADAERN COc1cc(NC2CC2)ccc1N 82523396 573086925 /nfs/dbraw/zinc/08/69/25/573086925.db2.gz MDESZKBJAKCBHX-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN CCOc1ccc(F)cc1C(N)=S 82516799 573086959 /nfs/dbraw/zinc/08/69/59/573086959.db2.gz YIEUJMFJBDLWLM-UHFFFAOYSA-N 0 0 199.250 1.859 10 0 ADAERN C[C@@H]1CC[C@@H](c2ocnc2CO)O1 88143552 573087136 /nfs/dbraw/zinc/08/71/36/573087136.db2.gz YAMNXYOCSCAVNO-SVRRBLITSA-N 0 0 183.207 1.407 10 0 ADAERN CCNc1ccc(F)cc1C(N)=S 82516733 573087142 /nfs/dbraw/zinc/08/71/42/573087142.db2.gz TWENZNCFKLWWQR-UHFFFAOYSA-N 0 0 198.266 1.892 10 0 ADAERN ONC[C@@H]1CCCCS1 258477638 573087155 /nfs/dbraw/zinc/08/71/55/573087155.db2.gz IYAMWSHEKJAXIH-LURJTMIESA-N 0 0 147.243 1.251 10 0 ADAERN CCCn1ccc(CO)c1 85588680 573087161 /nfs/dbraw/zinc/08/71/61/573087161.db2.gz XXEKRXKKJUDUGL-UHFFFAOYSA-N 0 0 139.198 1.390 10 0 ADAERN C/C=C\CSCCC(=O)N1CCC1 308252393 573087167 /nfs/dbraw/zinc/08/71/67/573087167.db2.gz BXDZRZSAPSYEDF-IHWYPQMZSA-N 0 0 199.319 1.918 10 0 ADAERN OC[C@@H]1CCc2nc(C3CC3)cn2C1 258477415 573087216 /nfs/dbraw/zinc/08/72/16/573087216.db2.gz QLUYGSSYEQHBFB-MRVPVSSYSA-N 0 0 192.262 1.315 10 0 ADAERN CC[C@@H]1COc2cccnc2O1 238272398 573087218 /nfs/dbraw/zinc/08/72/18/573087218.db2.gz IEEHDJPUWCHBJQ-SSDOTTSWSA-N 0 0 165.192 1.631 10 0 ADAERN CCC[C@H](O)CN[C@@H](C)C(F)(F)F 308253307 573087219 /nfs/dbraw/zinc/08/72/19/573087219.db2.gz CLNDZVMRHHUHRX-BQBZGAKWSA-N 0 0 199.216 1.688 10 0 ADAERN CC(=O)c1c[nH]nc1C1CCC1 258477628 573087232 /nfs/dbraw/zinc/08/72/32/573087232.db2.gz IXWXMXWMCRXWHX-UHFFFAOYSA-N 0 0 164.208 1.880 10 0 ADAERN [NH3+][C@H](c1cccs1)C1(C(=O)[O-])CC1 259325868 573087237 /nfs/dbraw/zinc/08/72/37/573087237.db2.gz IWCPLVQTYBXBIM-SSDOTTSWSA-N 0 0 197.259 1.613 10 0 ADAERN CNCc1ncc([C@H]2CC[C@@H](C)O2)o1 88143302 573087242 /nfs/dbraw/zinc/08/72/42/573087242.db2.gz HLOIWYMTYBUICY-HTQZYQBOSA-N 0 0 196.250 1.634 10 0 ADAERN C[C@H]1CC[C@H](c2nnc(N)s2)O1 88141583 573087262 /nfs/dbraw/zinc/08/72/62/573087262.db2.gz ROHVJTQKOASATR-CRCLSJGQSA-N 0 0 185.252 1.360 10 0 ADAERN C[C@H]1CC[C@H](c2cnc(CN)o2)O1 88143287 573087876 /nfs/dbraw/zinc/08/78/76/573087876.db2.gz BJNWOTCWRULRAB-NKWVEPMBSA-N 0 0 182.223 1.373 10 0 ADAERN C[C@H](O)CCc1c[nH]c2ncccc12 85607286 573087352 /nfs/dbraw/zinc/08/73/52/573087352.db2.gz UQMZTQULWWXXNB-QMMMGPOBSA-N 0 0 190.246 1.876 10 0 ADAERN CCCc1nnc([C@@H]2CC[C@H](C)O2)[nH]1 88141694 573087360 /nfs/dbraw/zinc/08/73/60/573087360.db2.gz IWWJPFROWZMQPT-YUMQZZPRSA-N 0 0 195.266 1.997 10 0 ADAERN OCc1cn(C(F)F)c2ncccc12 85607465 573087361 /nfs/dbraw/zinc/08/73/61/573087361.db2.gz BVQBXWDQUCUDDF-UHFFFAOYSA-N 0 0 198.172 1.924 10 0 ADAERN CCCCn1ccc(CO)c1 85588681 573087370 /nfs/dbraw/zinc/08/73/70/573087370.db2.gz AUJCXCHISVYJJJ-UHFFFAOYSA-N 0 0 153.225 1.781 10 0 ADAERN CC[C@@H](CO)CCC1OCCO1 238272190 573087382 /nfs/dbraw/zinc/08/73/82/573087382.db2.gz IYSYPHJFAMKYKV-MRVPVSSYSA-N 0 0 174.240 1.158 10 0 ADAERN CC[C@@]1(C)OC(=N)C=C1NC 238272161 573087409 /nfs/dbraw/zinc/08/74/09/573087409.db2.gz SFIMJHDBSFNRQY-MRVPVSSYSA-N 0 0 154.213 1.266 10 0 ADAERN C/C=C/C=C\C(=O)OC[C@@H](C)CO 308252356 573087417 /nfs/dbraw/zinc/08/74/17/573087417.db2.gz BUINLTDHDTWJGT-KBZPBCRNSA-N 0 0 184.235 1.290 10 0 ADAERN Cc1ccc(C)n1[C@H]1CCC(=O)NC1 82516199 573087446 /nfs/dbraw/zinc/08/74/46/573087446.db2.gz DQAAFABPMJUSSW-JTQLQIEISA-N 0 0 192.262 1.556 10 0 ADAERN CO[C@@H](C)c1[nH]cnc1C 104627184 573087448 /nfs/dbraw/zinc/08/74/48/573087448.db2.gz BQHMKBPHMJDAQC-LURJTMIESA-N 0 0 140.186 1.426 10 0 ADAERN CSCC(=O)[C@H]1CC[C@H](C)O1 88141567 573087456 /nfs/dbraw/zinc/08/74/56/573087456.db2.gz VJQDJZHUIDXPNF-POYBYMJQSA-N 0 0 174.265 1.486 10 0 ADAERN CC1C=COC1=S 114543196 573087460 /nfs/dbraw/zinc/08/74/60/573087460.db2.gz TYOASUAPMVRQOA-UHFFFAOYSA-N 0 0 114.169 1.877 10 0 ADAERN CC1=C[C@@H]2[C@@H](C1)C[C@@]2(C[NH3+])CC(=O)[O-] 114561866 573087474 /nfs/dbraw/zinc/08/74/74/573087474.db2.gz HJNICJYALOSZRL-NGZCFLSTSA-N 0 0 195.262 1.392 10 0 ADAERN CC(C)[C@H](C)Cc1nc(CN)no1 308498202 573087476 /nfs/dbraw/zinc/08/74/76/573087476.db2.gz FDWRCEUMTGZPFQ-SSDOTTSWSA-N 0 0 183.255 1.363 10 0 ADAERN CCc1nnc([C@H]2CC[C@@H](C)O2)[nH]1 88141689 573087483 /nfs/dbraw/zinc/08/74/83/573087483.db2.gz VZIXLRHUDLTMNZ-RNFRBKRXSA-N 0 0 181.239 1.607 10 0 ADAERN N#CN[C@@H]1C[C@H]2CC[C@@H]1C2 104624307 573087491 /nfs/dbraw/zinc/08/74/91/573087491.db2.gz KPCHMDQRQSMTEU-XLPZGREQSA-N 0 0 136.198 1.246 10 0 ADAERN CCn1cccc1CNc1cn[nH]c1 85608774 573087501 /nfs/dbraw/zinc/08/75/01/573087501.db2.gz XWTOFFYIGCXCNI-UHFFFAOYSA-N 0 0 190.250 1.843 10 0 ADAERN C/C(=C/C[NH2+]C(C)(C)C1CC1)C(=O)[O-] 308496839 573087535 /nfs/dbraw/zinc/08/75/35/573087535.db2.gz XABWYKMKBMITDY-VURMDHGXSA-N 0 0 197.278 1.796 10 0 ADAERN Cc1c[nH]c(=S)n1[C@@H]1CCOC1 88154189 573087536 /nfs/dbraw/zinc/08/75/36/573087536.db2.gz CMLYAZDBFVHAFJ-SSDOTTSWSA-N 0 0 184.264 1.816 10 0 ADAERN CC1=CC(=O)NC[C@H](C)C1 104627691 573087582 /nfs/dbraw/zinc/08/75/82/573087582.db2.gz JOCFNYLDAZRTLC-SSDOTTSWSA-N 0 0 139.198 1.089 10 0 ADAERN COC(=O)/C=C\CC/C(C)=C\CO 217807352 573087589 /nfs/dbraw/zinc/08/75/89/573087589.db2.gz ASSWOLURCQYAGH-PJPBHMPJSA-N 0 0 184.235 1.434 10 0 ADAERN CCC(CC)[C@H](O)[C@@H](O)c1ccc[nH]1 308497387 573087612 /nfs/dbraw/zinc/08/76/12/573087612.db2.gz UGKHMWBQDUUXPZ-QWRGUYRKSA-N 0 0 197.278 1.845 10 0 ADAERN CC(C)(C)C(F)(F)C(N)=O 259325926 573087641 /nfs/dbraw/zinc/08/76/41/573087641.db2.gz OLMNDHKFGYJGLQ-UHFFFAOYSA-N 0 0 151.156 1.153 10 0 ADAERN Cn1ccc(CNc2cn[nH]c2)c1 85590515 573087645 /nfs/dbraw/zinc/08/76/45/573087645.db2.gz WPJKMPPRJKETPF-UHFFFAOYSA-N 0 0 176.223 1.360 10 0 ADAERN Cc1nnc([C@H]2CC[C@H](C)O2)[nH]1 88141683 573087892 /nfs/dbraw/zinc/08/78/92/573087892.db2.gz ODQSHKZBLUQLDL-CAHLUQPWSA-N 0 0 167.212 1.353 10 0 ADAERN CC[C@H](C)C[C@@H](O)c1ncnn1CC 308498045 573087681 /nfs/dbraw/zinc/08/76/81/573087681.db2.gz UNAAUYDYMNDADE-DTWKUNHWSA-N 0 0 197.282 1.768 10 0 ADAERN CSCC(=O)[C@@H]1CC[C@H](C)O1 88141569 573087686 /nfs/dbraw/zinc/08/76/86/573087686.db2.gz VJQDJZHUIDXPNF-XPUUQOCRSA-N 0 0 174.265 1.486 10 0 ADAERN C[C@@H]1CC[C@@H](c2nnc(CN)s2)O1 88143368 573087691 /nfs/dbraw/zinc/08/76/91/573087691.db2.gz NSCNVKXNIMFZAQ-RITPCOANSA-N 0 0 199.279 1.237 10 0 ADAERN COCCCNc1cncc(F)c1 308498329 573087713 /nfs/dbraw/zinc/08/77/13/573087713.db2.gz VHEVWWKUZVTTLJ-UHFFFAOYSA-N 0 0 184.214 1.669 10 0 ADAERN Cc1cc(Cn2cccc2CO)no1 85588242 573087716 /nfs/dbraw/zinc/08/77/16/573087716.db2.gz IUALYQNGXBHOHS-UHFFFAOYSA-N 0 0 192.218 1.325 10 0 ADAERN CC(=O)[C@H]1CC[C@H](C)O1 88143567 573087745 /nfs/dbraw/zinc/08/77/45/573087745.db2.gz LFPDZOOVHJRODT-CAHLUQPWSA-N 0 0 128.171 1.143 10 0 ADAERN C[C@@H]1CC[C@@H](C2N=NC(=S)N2)O1 88141728 573087784 /nfs/dbraw/zinc/08/77/84/573087784.db2.gz LULSQJWJDAUFQH-UHNVWZDZSA-N 0 0 185.252 1.333 10 0 ADAERN c1cc2c[nH]cc2o1 104627214 573087847 /nfs/dbraw/zinc/08/78/47/573087847.db2.gz BCWUZUYZBGMZFZ-UHFFFAOYSA-N 0 0 107.112 1.761 10 0 ADAERN COc1cccc([C@]2(C)C[C@@H]2CO)c1 88158055 573088459 /nfs/dbraw/zinc/08/84/59/573088459.db2.gz CAHCACRJDVSEIE-PWSUYJOCSA-N 0 0 192.258 1.965 10 0 ADAERN Cn1ccnc1C(=O)C1CCC1 82522641 573088463 /nfs/dbraw/zinc/08/84/63/573088463.db2.gz VLVPJAAHIQHZGO-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN COc1cc(NC[C@@H](C)O)ccc1N 82523515 573088478 /nfs/dbraw/zinc/08/84/78/573088478.db2.gz RSEHFVLWZMZMCM-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN CC[C@@H]1CCC(=O)N[C@H]1C 104626877 573088479 /nfs/dbraw/zinc/08/84/79/573088479.db2.gz QMCPLMLFZRFECF-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN COCC[C@]1(C)C[C@@H]1CO 88158291 573088485 /nfs/dbraw/zinc/08/84/85/573088485.db2.gz LCQCYCXQCYFIBQ-HTQZYQBOSA-N 0 0 144.214 1.041 10 0 ADAERN CC[C@@H](O)[C@@H](F)C(F)F 238275118 573088496 /nfs/dbraw/zinc/08/84/96/573088496.db2.gz DPUKIZMMNQQODQ-QWWZWVQMSA-N 0 0 142.120 1.361 10 0 ADAERN OC[C@H]1C[C@@]12CCc1ccccc12 88158360 573088500 /nfs/dbraw/zinc/08/85/00/573088500.db2.gz JCIMWNGAFDGTDC-PWSUYJOCSA-N 0 0 174.243 1.883 10 0 ADAERN COc1cc(NC[C@H](C)O)ccc1N 82523514 573088515 /nfs/dbraw/zinc/08/85/15/573088515.db2.gz RSEHFVLWZMZMCM-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN CCn1ccc(/C=C/[N+](=O)[O-])c1 85605308 573088518 /nfs/dbraw/zinc/08/85/18/573088518.db2.gz BQBHATJEZWJKMS-GQCTYLIASA-N 0 0 166.180 1.755 10 0 ADAERN CC(C)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)[O-] 308498638 573088522 /nfs/dbraw/zinc/08/85/22/573088522.db2.gz FLBPZJQKEUZOPG-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN OCc1cccn1Cc1cscn1 85588325 573088525 /nfs/dbraw/zinc/08/85/25/573088525.db2.gz IEVDOVZJFKUNSM-UHFFFAOYSA-N 0 0 194.259 1.485 10 0 ADAERN CCNc1cnoc1C 104626274 573088532 /nfs/dbraw/zinc/08/85/32/573088532.db2.gz DPCOKVRHNUVCCI-UHFFFAOYSA-N 0 0 126.159 1.415 10 0 ADAERN C[C@@]1(c2ccccn2)C[C@H]1CO 88158023 573088562 /nfs/dbraw/zinc/08/85/62/573088562.db2.gz DVHKNWVZUZWGGO-WCBMZHEXSA-N 0 0 163.220 1.352 10 0 ADAERN Nc1ccc(-c2ccc(Cl)o2)nn1 259600834 573088569 /nfs/dbraw/zinc/08/85/69/573088569.db2.gz ZQKPUTPWBKLIQU-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN OCc1ccn(Cc2cccnc2)c1 85589419 573088585 /nfs/dbraw/zinc/08/85/85/573088585.db2.gz YOHWRSQRNKSJBS-UHFFFAOYSA-N 0 0 188.230 1.424 10 0 ADAERN C[C@]1(c2ccoc2)C[C@@H]1CO 88158166 573088594 /nfs/dbraw/zinc/08/85/94/573088594.db2.gz DTCJLEJQSVLGBU-RKDXNWHRSA-N 0 0 152.193 1.550 10 0 ADAERN Cc1cc(Oc2cccc(N)n2)n[nH]1 88156841 573088598 /nfs/dbraw/zinc/08/85/98/573088598.db2.gz XOQJBUJCPOIQTC-UHFFFAOYSA-N 0 0 190.206 1.488 10 0 ADAERN Cc1cc(Oc2cc(N)ccn2)n[nH]1 88156569 573088612 /nfs/dbraw/zinc/08/86/12/573088612.db2.gz XEAQZRAJRWQZLE-UHFFFAOYSA-N 0 0 190.206 1.488 10 0 ADAERN CN(O)CCc1cccc(O)c1 258477684 573088613 /nfs/dbraw/zinc/08/86/13/573088613.db2.gz IYGVBFVZACFKTB-UHFFFAOYSA-N 0 0 167.208 1.256 10 0 ADAERN CC1=CN[C@@H]2CCCCN12 104625369 573088614 /nfs/dbraw/zinc/08/86/14/573088614.db2.gz SEZGEKMFFLYKNB-QMMMGPOBSA-N 0 0 138.214 1.263 10 0 ADAERN CC[C@H](C)CN1C(=O)[C@H](CC)N[C@H]1C 123591724 573088634 /nfs/dbraw/zinc/08/86/34/573088634.db2.gz MJKURAUGZDPAPI-AEJSXWLSSA-N 0 0 198.310 1.589 10 0 ADAERN CC(C)[C@@H]([NH+](C)C)C(C)(C)C(=O)[O-] 259324697 573088653 /nfs/dbraw/zinc/08/86/53/573088653.db2.gz DSRMMXCRXBTZOU-MRVPVSSYSA-N 0 0 187.283 1.683 10 0 ADAERN CC(C)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)[O-] 308498636 573088659 /nfs/dbraw/zinc/08/86/59/573088659.db2.gz FLBPZJQKEUZOPG-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H](C)[C@H]1C(=O)NN=C1C 238273319 573088728 /nfs/dbraw/zinc/08/87/28/573088728.db2.gz DBJCQMJEYDPJEC-CAHLUQPWSA-N 0 0 154.213 1.154 10 0 ADAERN O=C1CCC(Oc2ccncc2)CC1 114589340 573088682 /nfs/dbraw/zinc/08/86/82/573088682.db2.gz RLHMDOUNCRJMID-UHFFFAOYSA-N 0 0 191.230 1.972 10 0 ADAERN OC[C@H]1C[C@@H]1C1CCOCC1 88158295 573088699 /nfs/dbraw/zinc/08/86/99/573088699.db2.gz YMCCDTALWVZCGY-RKDXNWHRSA-N 0 0 156.225 1.041 10 0 ADAERN CC(=O)OCc1ccc[nH]1 104626976 573088718 /nfs/dbraw/zinc/08/87/18/573088718.db2.gz HATDKRFMRHQOCW-UHFFFAOYSA-N 0 0 139.154 1.078 10 0 ADAERN CCC1(CC)C[C@@H]1CO 88158913 573096314 /nfs/dbraw/zinc/09/63/14/573096314.db2.gz NAVMUAYQFUQERP-SSDOTTSWSA-N 0 0 128.215 1.805 10 0 ADAERN CO[C@@H](C)c1noc(CC2CC2)n1 308259343 573088739 /nfs/dbraw/zinc/08/87/39/573088739.db2.gz LOKCGPJBOPTBAS-LURJTMIESA-N 0 0 182.223 1.730 10 0 ADAERN COc1nc2ccc(C)cn2n1 259600866 573088756 /nfs/dbraw/zinc/08/87/56/573088756.db2.gz VHSZDIPYORYWGH-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN Cc1ccc([C@@H]2C[C@H]2CO)nc1 88158172 573088767 /nfs/dbraw/zinc/08/87/67/573088767.db2.gz 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/nfs/dbraw/zinc/08/89/13/573088913.db2.gz SPNPYGWOFWAEJM-UHFFFAOYSA-N 0 0 137.182 1.007 10 0 ADAERN C[C@]1(c2ccco2)C[C@@H]1CO 88158224 573088935 /nfs/dbraw/zinc/08/89/35/573088935.db2.gz QMSWGHUGVUEJGT-APPZFPTMSA-N 0 0 152.193 1.550 10 0 ADAERN CCCc1cc(=O)cc(OC)o1 238273229 573088962 /nfs/dbraw/zinc/08/89/62/573088962.db2.gz VBEODIMLEUXDSV-UHFFFAOYSA-N 0 0 168.192 1.601 10 0 ADAERN CCC[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1C 238275414 573088990 /nfs/dbraw/zinc/08/89/90/573088990.db2.gz WJXPPXHBVXSQFU-YUMQZZPRSA-N 0 0 171.240 1.334 10 0 ADAERN COc1cccc([C@]2(C)C[C@H]2CO)c1 88158057 573088999 /nfs/dbraw/zinc/08/89/99/573088999.db2.gz CAHCACRJDVSEIE-JQWIXIFHSA-N 0 0 192.258 1.965 10 0 ADAERN CCCNC(=O)C=C(CC)NCCC 308258658 573089028 /nfs/dbraw/zinc/08/90/28/573089028.db2.gz CIEQMKOGSBUPNX-MDZDMXLPSA-N 0 0 198.310 1.806 10 0 ADAERN C[C@@H]1CC[C@@]2(C[C@@H]2CO)C1 88158248 573089731 /nfs/dbraw/zinc/08/97/31/573089731.db2.gz BMZKTJFPRKDPSI-HLTSFMKQSA-N 0 0 140.226 1.805 10 0 ADAERN Cc1ccc([C@@H]2C[C@H]2CO)o1 88158046 573089040 /nfs/dbraw/zinc/08/90/40/573089040.db2.gz SVUSXRSCIIEKMS-JGVFFNPUSA-N 0 0 152.193 1.684 10 0 ADAERN CCCNC(=S)SC 104626573 573089045 /nfs/dbraw/zinc/08/90/45/573089045.db2.gz ZLTVQCSUKXAWII-UHFFFAOYSA-N 0 0 149.284 1.634 10 0 ADAERN Cc1ccc([C@H]2C[C@H]2CO)nc1 88158173 573089047 /nfs/dbraw/zinc/08/90/47/573089047.db2.gz AZNTYSNEGQNUTQ-IUCAKERBSA-N 0 0 163.220 1.486 10 0 ADAERN C[C@H](O)CCc1ccn(C)c1 85590518 573089050 /nfs/dbraw/zinc/08/90/50/573089050.db2.gz PFJUCRAXCSPDPR-QMMMGPOBSA-N 0 0 153.225 1.339 10 0 ADAERN CCO[C@@H]1NC(=O)C[C@@H]2C=CCC[C@H]12 238275043 573089061 /nfs/dbraw/zinc/08/90/61/573089061.db2.gz NZHPJGQSQXTSJV-QXEWZRGKSA-N 0 0 195.262 1.451 10 0 ADAERN CC(=O)O[C@@H](C)Cc1cccnc1 308260137 573089085 /nfs/dbraw/zinc/08/90/85/573089085.db2.gz MZRYGOWOLCWZNG-QMMMGPOBSA-N 0 0 179.219 1.576 10 0 ADAERN CCC[C@@H]1C[C@@H]1CO 88158240 573089103 /nfs/dbraw/zinc/08/91/03/573089103.db2.gz HWSZRFHMKHWNEP-RNFRBKRXSA-N 0 0 114.188 1.415 10 0 ADAERN CCc1ccc(CON)cc1F 238272861 573089106 /nfs/dbraw/zinc/08/91/06/573089106.db2.gz SFHFHJSPMBVCCM-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN CCC(CC)N(C)C(=O)NOC 393348876 573089113 /nfs/dbraw/zinc/08/91/13/573089113.db2.gz MMEYZIRADNSBMI-UHFFFAOYSA-N 0 0 174.244 1.378 10 0 ADAERN CO[C@H](C)COC(=O)/C=C\C1CC1 308260742 573089158 /nfs/dbraw/zinc/08/91/58/573089158.db2.gz MHCGDJYWZNSPMP-RPSMYOMKSA-N 0 0 184.235 1.531 10 0 ADAERN CCSCCOc1cccnc1N 128680876 573089186 /nfs/dbraw/zinc/08/91/86/573089186.db2.gz TVILJFRGUZTABC-UHFFFAOYSA-N 0 0 198.291 1.796 10 0 ADAERN OC[C@H]1C[C@@H]1c1ccsc1 88158059 573089198 /nfs/dbraw/zinc/08/91/98/573089198.db2.gz SWPRYIDABUXSIR-HTQZYQBOSA-N 0 0 154.234 1.844 10 0 ADAERN CCOC(=O)NC1[C@H](C)[C@H]1C 238273322 573089252 /nfs/dbraw/zinc/08/92/52/573089252.db2.gz JBKCKIQGXZHURU-PHDIDXHHSA-N 0 0 157.213 1.387 10 0 ADAERN CCOC(=O)NC1C2CCC1CC2 238273076 573089261 /nfs/dbraw/zinc/08/92/61/573089261.db2.gz MFCIRSWTIMTBQB-UHFFFAOYSA-N 0 0 183.251 1.921 10 0 ADAERN C=CC(=O)OC(F)(F)C(F)(F)F 114590676 573089263 /nfs/dbraw/zinc/08/92/63/573089263.db2.gz GYXUNDYSSCDRAG-UHFFFAOYSA-N 0 0 190.067 1.871 10 0 ADAERN C[C@@H](O)CCc1ccn(C)c1 85590520 573089271 /nfs/dbraw/zinc/08/92/71/573089271.db2.gz PFJUCRAXCSPDPR-MRVPVSSYSA-N 0 0 153.225 1.339 10 0 ADAERN CCN1Cc2cc(CO)sc2C1 238273287 573089275 /nfs/dbraw/zinc/08/92/75/573089275.db2.gz ZNKKBTMCDBVJEE-UHFFFAOYSA-N 0 0 183.276 1.576 10 0 ADAERN CCc1cn2c(n1)CCC[C@H]2O 258477286 573089301 /nfs/dbraw/zinc/08/93/01/573089301.db2.gz QKZREUSRNMHSLH-SECBINFHSA-N 0 0 166.224 1.273 10 0 ADAERN Cc1ccc([C@H]2C[C@@H]2CO)o1 88158045 573089302 /nfs/dbraw/zinc/08/93/02/573089302.db2.gz SVUSXRSCIIEKMS-SFYZADRCSA-N 0 0 152.193 1.684 10 0 ADAERN CC[C@@H]1CCC(=O)N[C@@H]1C 104626870 573089303 /nfs/dbraw/zinc/08/93/03/573089303.db2.gz QMCPLMLFZRFECF-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN CCC[C@H]1CCO[C@H](O)C1 238275228 573089369 /nfs/dbraw/zinc/08/93/69/573089369.db2.gz FPBXNWPRVDWZAF-YUMQZZPRSA-N 0 0 144.214 1.532 10 0 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RERIBTMJHAQDJQ-LURJTMIESA-N 0 0 149.193 1.780 10 0 ADAERN S=c1nc2[nH]ccnc-2s1 114495904 573089448 /nfs/dbraw/zinc/08/94/48/573089448.db2.gz XEAYWXALSDKPEZ-UHFFFAOYSA-N 0 0 169.234 1.749 10 0 ADAERN Cc1nc(N)nc(C(C)(C)C)n1 82529029 573089449 /nfs/dbraw/zinc/08/94/49/573089449.db2.gz BYABBSXPSGLCPY-UHFFFAOYSA-N 0 0 166.228 1.060 10 0 ADAERN C[C@@H]1CCCNC1=S 104625031 573089457 /nfs/dbraw/zinc/08/94/57/573089457.db2.gz VAPBEZOZQSOAFL-RXMQYKEDSA-N 0 0 129.228 1.333 10 0 ADAERN Cc1ccc(F)c(-c2nc(N)no2)c1 82538900 573089460 /nfs/dbraw/zinc/08/94/60/573089460.db2.gz HVCGZUXUXWETNO-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN OCc1ccn(Cc2ccncc2)c1 85588990 573089463 /nfs/dbraw/zinc/08/94/63/573089463.db2.gz ZXJNGLNFHBEXQO-UHFFFAOYSA-N 0 0 188.230 1.424 10 0 ADAERN Cn1cc(Br)[nH]c1=S 257943113 573089464 /nfs/dbraw/zinc/08/94/64/573089464.db2.gz VUJXTDLCIPQCGD-UHFFFAOYSA-N 0 0 193.069 1.471 10 0 ADAERN OCc1cccn1Cc1ccno1 85588560 573089475 /nfs/dbraw/zinc/08/94/75/573089475.db2.gz GUCVMMDGYDUIMG-UHFFFAOYSA-N 0 0 178.191 1.017 10 0 ADAERN OC[C@H]1C[C@@H]1C1CCCC1 88158163 573089476 /nfs/dbraw/zinc/08/94/76/573089476.db2.gz BNMBUYLQQNSALZ-RKDXNWHRSA-N 0 0 140.226 1.805 10 0 ADAERN Cc1cccnc1-c1nc(N)no1 82538897 573089478 /nfs/dbraw/zinc/08/94/78/573089478.db2.gz ICLWVLPEUFBHFC-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCSC(=O)NC(=O)CC 238275673 573089490 /nfs/dbraw/zinc/08/94/90/573089490.db2.gz TXXRFGFLDNLCCN-UHFFFAOYSA-N 0 0 161.226 1.386 10 0 ADAERN C[C@@H]1C=CCCC1=O 114548733 573089528 /nfs/dbraw/zinc/08/95/28/573089528.db2.gz JEKFIMOQBJSUBD-ZCFIWIBFSA-N 0 0 110.156 1.542 10 0 ADAERN COCC[C@@]1(C)C[C@H]1CO 88158292 573089533 /nfs/dbraw/zinc/08/95/33/573089533.db2.gz LCQCYCXQCYFIBQ-YUMQZZPRSA-N 0 0 144.214 1.041 10 0 ADAERN CC[C@H]1CCNC1=S 104625242 573089563 /nfs/dbraw/zinc/08/95/63/573089563.db2.gz JCRQJPWQDXAHSW-YFKPBYRVSA-N 0 0 129.228 1.333 10 0 ADAERN OCCC1CCC(CO)CC1 114531282 573089568 /nfs/dbraw/zinc/08/95/68/573089568.db2.gz WBWDWNSJVPULFH-UHFFFAOYSA-N 0 0 158.241 1.168 10 0 ADAERN CCCc1cc(=O)cc(CO)o1 238273206 573089576 /nfs/dbraw/zinc/08/95/76/573089576.db2.gz UPPVFTVFPZEJTP-UHFFFAOYSA-N 0 0 168.192 1.085 10 0 ADAERN COC(=O)c1ccc2c(c1)[C@@H](O)CC2 114586634 573089578 /nfs/dbraw/zinc/08/95/78/573089578.db2.gz VLUJENWYTCMHBC-JTQLQIEISA-N 0 0 192.214 1.453 10 0 ADAERN CC(C)=CCn1ccc(CO)c1 85588837 573089602 /nfs/dbraw/zinc/08/96/02/573089602.db2.gz BVARQYVOZWPXLM-UHFFFAOYSA-N 0 0 165.236 1.947 10 0 ADAERN C/C=C/c1c[nH]c(C=O)c1 104627789 573089604 /nfs/dbraw/zinc/08/96/04/573089604.db2.gz ATFCGKNSKZRWPQ-NSCUHMNNSA-N 0 0 135.166 1.860 10 0 ADAERN CC1=C[C@@H]2[C@H](C1)C[C@@]2(C[NH3+])CC(=O)[O-] 114561862 573089606 /nfs/dbraw/zinc/08/96/06/573089606.db2.gz HJNICJYALOSZRL-KKZNHRDASA-N 0 0 195.262 1.392 10 0 ADAERN CSCCOc1cccnc1N 128680453 573089614 /nfs/dbraw/zinc/08/96/14/573089614.db2.gz WCQONYXVHFBSCH-UHFFFAOYSA-N 0 0 184.264 1.406 10 0 ADAERN Cc1ccc([C@H]2C[C@H]2CO)o1 88158047 573089629 /nfs/dbraw/zinc/08/96/29/573089629.db2.gz 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/nfs/dbraw/zinc/09/08/51/573090851.db2.gz WMFFHWPBJCKNAJ-UHFFFAOYSA-N 0 0 166.176 1.683 10 0 ADAERN O=Cc1cnc(-c2ccc(O)cc2)o1 258234120 573090937 /nfs/dbraw/zinc/09/09/37/573090937.db2.gz VUSUPEQAYPGHFI-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN C/C=C/Cc1ccc[nH]c1=O 104626431 573090861 /nfs/dbraw/zinc/09/08/61/573090861.db2.gz YBMCOEDYMPGGIW-NSCUHMNNSA-N 0 0 149.193 1.494 10 0 ADAERN CC[C@H]1CCC(=O)N[C@H]1C 104626881 573090891 /nfs/dbraw/zinc/09/08/91/573090891.db2.gz QMCPLMLFZRFECF-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN CC(C)[C@@H]1C[C@]2(CCO1)C[C@@H]2CO 88158176 573090899 /nfs/dbraw/zinc/09/08/99/573090899.db2.gz HGEHJSIERYYPGL-VWYCJHECSA-N 0 0 184.279 1.820 10 0 ADAERN C[N@@H+]1CC[C@H](C2CCC2)[C@@H]1C(=O)[O-] 257943326 573090900 /nfs/dbraw/zinc/09/09/00/573090900.db2.gz VHBBWDQYZBEAKC-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN C/C=C/C(=O)N1C[C@@H](C)S[C@H](C)C1 85629025 573090908 /nfs/dbraw/zinc/09/09/08/573090908.db2.gz RNMBCXIDVGBWJN-HOMPQPGZSA-N 0 0 199.319 1.915 10 0 ADAERN CC[C@]1(C)O[C@](C)(CC)[C@@H](O)C1=O 238273429 573091495 /nfs/dbraw/zinc/09/14/95/573091495.db2.gz NQMCTZLOVLAXQD-SFGNSQDASA-N 0 0 186.251 1.284 10 0 ADAERN c1cc2n3c(cnc3c1)CN2 104625312 573091496 /nfs/dbraw/zinc/09/14/96/573091496.db2.gz OYMULBNIRZMGQA-UHFFFAOYSA-N 0 0 145.165 1.260 10 0 ADAERN CCOC(=O)c1cc(CC)ns1 259324756 573091423 /nfs/dbraw/zinc/09/14/23/573091423.db2.gz DFKQNEHIOKGLSW-UHFFFAOYSA-N 0 0 185.248 1.882 10 0 ADAERN CC[C@@H](CNC(=O)N(C)C)C(C)C 308500870 573091439 /nfs/dbraw/zinc/09/14/39/573091439.db2.gz WSZNKGMPXVRADB-VIFPVBQESA-N 0 0 186.299 1.940 10 0 ADAERN CC[C@@]1(C)C[C@@]2(CCO1)C[C@@H]2CO 88158307 573091478 /nfs/dbraw/zinc/09/14/78/573091478.db2.gz XADAMQGMJXXEKP-OUAUKWLOSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@]1(c2ccco2)C[C@H]1CO 88158226 573091644 /nfs/dbraw/zinc/09/16/44/573091644.db2.gz QMSWGHUGVUEJGT-CBAPKCEASA-N 0 0 152.193 1.550 10 0 ADAERN CC(C)(O)c1nc2c(N)cccc2[nH]1 82539480 573091513 /nfs/dbraw/zinc/09/15/13/573091513.db2.gz OLWDWVWCVBYJQK-UHFFFAOYSA-N 0 0 191.234 1.373 10 0 ADAERN CCN1C(=O)Nc2ccccc2[C@@H]1O 238275320 573091520 /nfs/dbraw/zinc/09/15/20/573091520.db2.gz YXTPUMQOFMLNTE-VIFPVBQESA-N 0 0 192.218 1.545 10 0 ADAERN CO[C@H](C)c1[nH]cnc1C 104627180 573091526 /nfs/dbraw/zinc/09/15/26/573091526.db2.gz BQHMKBPHMJDAQC-ZCFIWIBFSA-N 0 0 140.186 1.426 10 0 ADAERN C[N@@H+]1CC[C@@H](C2CCC2)[C@H]1C(=O)[O-] 257943323 573091556 /nfs/dbraw/zinc/09/15/56/573091556.db2.gz VHBBWDQYZBEAKC-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN COC(=O)c1ccc2c(c1)[C@H](O)CC2 114586637 573091597 /nfs/dbraw/zinc/09/15/97/573091597.db2.gz VLUJENWYTCMHBC-SNVBAGLBSA-N 0 0 192.214 1.453 10 0 ADAERN COc1ccc2nc(C)oc2c1C=O 114500069 573091605 /nfs/dbraw/zinc/09/16/05/573091605.db2.gz YBMFDNSLZKGLLA-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN Cc1ccsc1-c1nc(N)no1 82538933 573091606 /nfs/dbraw/zinc/09/16/06/573091606.db2.gz UFNLMJATSWPYBF-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC(C)(C)Cc1nc(N)no1 82539170 573091615 /nfs/dbraw/zinc/09/16/15/573091615.db2.gz DRGKOGIHKDYBLO-UHFFFAOYSA-N 0 0 155.201 1.240 10 0 ADAERN CC(C)OCCN[C@H](C)C(F)(F)F 308259660 573091658 /nfs/dbraw/zinc/09/16/58/573091658.db2.gz MTSBCXVNQQPHOU-SSDOTTSWSA-N 0 0 199.216 1.952 10 0 ADAERN CCCc1cc(C)nn1C(N)=O 238275477 573091673 /nfs/dbraw/zinc/09/16/73/573091673.db2.gz ACOJVQFFUBPRRY-UHFFFAOYSA-N 0 0 167.212 1.071 10 0 ADAERN CC[C@H]1SC(C)(C)[NH2+][C@@H]1C(=O)[O-] 238279126 573100365 /nfs/dbraw/zinc/10/03/65/573100365.db2.gz WQDNYRRYUGETBO-RITPCOANSA-N 0 0 189.280 1.291 10 0 ADAERN Nc1ccccc1[C@H](O)CCCO 257943375 573091686 /nfs/dbraw/zinc/09/16/86/573091686.db2.gz VIIWLTYVUWQYJD-SNVBAGLBSA-N 0 0 181.235 1.075 10 0 ADAERN C/C=C/C(=O)N1C[C@@H](C)[C@@H](C)C1 85629544 573091724 /nfs/dbraw/zinc/09/17/24/573091724.db2.gz HNWSWYYTGNCGQR-ZZGNMTITSA-N 0 0 167.252 1.677 10 0 ADAERN C[NH2+][C@@H](CC(C)C)[C@@H](C)CC(=O)[O-] 259324446 573091746 /nfs/dbraw/zinc/09/17/46/573091746.db2.gz JUCJOLBOZVJANZ-IUCAKERBSA-N 0 0 187.283 1.731 10 0 ADAERN CCCCc1c[nH]c(=O)[nH]1 104626154 573091751 /nfs/dbraw/zinc/09/17/51/573091751.db2.gz LCSYBAXELHOBLX-UHFFFAOYSA-N 0 0 140.186 1.046 10 0 ADAERN [NH3+][C@@H](c1cccs1)C1(C(=O)[O-])CC1 259325874 573091756 /nfs/dbraw/zinc/09/17/56/573091756.db2.gz IWCPLVQTYBXBIM-ZETCQYMHSA-N 0 0 197.259 1.613 10 0 ADAERN O=C1CCC(O)(c2nccs2)CC1 114500975 573091765 /nfs/dbraw/zinc/09/17/65/573091765.db2.gz APJQOFZMUGLMPD-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN CC[C@@H](C(=O)NC)C(C)C 104625639 573091767 /nfs/dbraw/zinc/09/17/67/573091767.db2.gz AQENIFWJCRFMSP-SSDOTTSWSA-N 0 0 143.230 1.415 10 0 ADAERN CCN1Cc2cc(CO)oc2C1 238273264 573091771 /nfs/dbraw/zinc/09/17/71/573091771.db2.gz UIJNTHYCZUHPSK-UHFFFAOYSA-N 0 0 167.208 1.107 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2c(F)cccc2N1 258233946 573091772 /nfs/dbraw/zinc/09/17/72/573091772.db2.gz QDWMGSMISGDNIV-SFYZADRCSA-N 0 0 195.237 1.933 10 0 ADAERN C/C=C/[C@H](C)NC(=O)OC 104627670 573091776 /nfs/dbraw/zinc/09/17/76/573091776.db2.gz XYUFORGLVIOBNJ-OVCGOVNKSA-N 0 0 143.186 1.307 10 0 ADAERN COC(C)(C)C[C@@H](C)[C@H](C)O 85658686 573100470 /nfs/dbraw/zinc/10/04/70/573100470.db2.gz GNKDIXLUHPCWSX-SFYZADRCSA-N 0 0 160.257 1.818 10 0 ADAERN Cc1cc(Oc2ccc(N)cn2)n[nH]1 88156545 573091792 /nfs/dbraw/zinc/09/17/92/573091792.db2.gz XARGGQQMQIDNOJ-UHFFFAOYSA-N 0 0 190.206 1.488 10 0 ADAERN CC[C@H](C)c1nc(N)no1 82539046 573091802 /nfs/dbraw/zinc/09/18/02/573091802.db2.gz VUQAASCCQZTWOG-BYPYZUCNSA-N 0 0 141.174 1.165 10 0 ADAERN CCSC(=O)C[C@H](O)CC 238275421 573091822 /nfs/dbraw/zinc/09/18/22/573091822.db2.gz BCTONVJVGXIENI-ZCFIWIBFSA-N 0 0 162.254 1.427 10 0 ADAERN C[C@]1(CO)CCC[C@@H]1NCC(F)F 308258913 573091825 /nfs/dbraw/zinc/09/18/25/573091825.db2.gz MLGYKVZJUAVJGD-IONNQARKSA-N 0 0 193.237 1.392 10 0 ADAERN CO[C@H](C)COC(=O)/C=C/C1CC1 308260741 573091842 /nfs/dbraw/zinc/09/18/42/573091842.db2.gz MHCGDJYWZNSPMP-HQZHTGGTSA-N 0 0 184.235 1.531 10 0 ADAERN C[N@@H+]1CC[C@H](C2CCC2)[C@H]1C(=O)[O-] 257943319 573091853 /nfs/dbraw/zinc/09/18/53/573091853.db2.gz VHBBWDQYZBEAKC-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN C=CC(=O)NC(=O)SCC 238275655 573091862 /nfs/dbraw/zinc/09/18/62/573091862.db2.gz LUKZMDBVLBFXTF-UHFFFAOYSA-N 0 0 159.210 1.162 10 0 ADAERN CC(C)C[C@H]1C[C@H]1CO 88158197 573091865 /nfs/dbraw/zinc/09/18/65/573091865.db2.gz HFNFGMTYIOSAOX-YUMQZZPRSA-N 0 0 128.215 1.661 10 0 ADAERN COC(=O)C=C(N)Nc1ccccc1 308258659 573091870 /nfs/dbraw/zinc/09/18/70/573091870.db2.gz CIHUZIRJKAFEHP-VQHVLOKHSA-N 0 0 192.218 1.072 10 0 ADAERN CC[C@H]1ON=C(C(C)=O)[C@H]1C 238275527 573091872 /nfs/dbraw/zinc/09/18/72/573091872.db2.gz LTNYWPLHTCVPLA-CAHLUQPWSA-N 0 0 155.197 1.376 10 0 ADAERN OCc1cccc2c1NCCN2 259325518 573091880 /nfs/dbraw/zinc/09/18/80/573091880.db2.gz SDEVSZWKWSLZFE-UHFFFAOYSA-N 0 0 164.208 1.016 10 0 ADAERN CC(C)[C@@H](CO)c1nccs1 259326017 573091904 /nfs/dbraw/zinc/09/19/04/573091904.db2.gz DLWUWHNCGRHBJQ-SSDOTTSWSA-N 0 0 171.265 1.875 10 0 ADAERN COCCc1nc2c(N)cccc2[nH]1 82539398 573091930 /nfs/dbraw/zinc/09/19/30/573091930.db2.gz MOMOEHHYUXVESI-UHFFFAOYSA-N 0 0 191.234 1.334 10 0 ADAERN Cc1cn(C[C@H]2CCOC2)c(=S)[nH]1 88155069 573091933 /nfs/dbraw/zinc/09/19/33/573091933.db2.gz BDOQPKUCAYEGIB-MRVPVSSYSA-N 0 0 198.291 1.891 10 0 ADAERN C[C@@]1(c2ccco2)C[C@H]1CO 88158227 573091956 /nfs/dbraw/zinc/09/19/56/573091956.db2.gz QMSWGHUGVUEJGT-IONNQARKSA-N 0 0 152.193 1.550 10 0 ADAERN Cc1cn(Cc2ccon2)c(=S)[nH]1 88155461 573091981 /nfs/dbraw/zinc/09/19/81/573091981.db2.gz PEIMBGMFRAOEGK-UHFFFAOYSA-N 0 0 195.247 1.890 10 0 ADAERN COC[C@@H](C)COC(=O)CC1CC1 308258419 573092010 /nfs/dbraw/zinc/09/20/10/573092010.db2.gz LCJVFVWAWROPGR-MRVPVSSYSA-N 0 0 186.251 1.612 10 0 ADAERN Cc1cc(Oc2ncccc2N)n[nH]1 88156553 573092021 /nfs/dbraw/zinc/09/20/21/573092021.db2.gz PUBNKKFWIVZGIB-UHFFFAOYSA-N 0 0 190.206 1.488 10 0 ADAERN CC(C)C(=O)[C@@H](O)c1cc[nH]c1 259325999 573092027 /nfs/dbraw/zinc/09/20/27/573092027.db2.gz YHPYWOMOZVWNCC-VIFPVBQESA-N 0 0 167.208 1.273 10 0 ADAERN C[C@H](O)C[C@H]1Cc2c(F)cccc2N1 258233951 573092036 /nfs/dbraw/zinc/09/20/36/573092036.db2.gz QDWMGSMISGDNIV-YUMQZZPRSA-N 0 0 195.237 1.933 10 0 ADAERN CCCNC(=O)N[C@H](C)C1(C)CC1 308500340 573092050 /nfs/dbraw/zinc/09/20/50/573092050.db2.gz WKCXTRGWADPJPA-MRVPVSSYSA-N 0 0 184.283 1.884 10 0 ADAERN COc1ccc2c(c1C=O)OCO2 114504475 573092497 /nfs/dbraw/zinc/09/24/97/573092497.db2.gz IMLCPQOIRGAGOU-UHFFFAOYSA-N 0 0 180.159 1.236 10 0 ADAERN C[N@@H+]1CC[C@@H](C2CCC2)[C@@H]1C(=O)[O-] 257943320 573092106 /nfs/dbraw/zinc/09/21/06/573092106.db2.gz VHBBWDQYZBEAKC-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN O[C@@H]1CCC[C@@H]1Sc1ccncn1 82535634 573092144 /nfs/dbraw/zinc/09/21/44/573092144.db2.gz OHWSINIQGTVBKU-SFYZADRCSA-N 0 0 196.275 1.482 10 0 ADAERN CC(C)C(=O)[C@H](O)c1cc[nH]c1 259325990 573092153 /nfs/dbraw/zinc/09/21/53/573092153.db2.gz YHPYWOMOZVWNCC-SECBINFHSA-N 0 0 167.208 1.273 10 0 ADAERN OC[C@@H]1C[C@@H]1C1CCOCC1 88158297 573092163 /nfs/dbraw/zinc/09/21/63/573092163.db2.gz YMCCDTALWVZCGY-DTWKUNHWSA-N 0 0 156.225 1.041 10 0 ADAERN CC(C)CCc1nc(N)no1 82539006 573092168 /nfs/dbraw/zinc/09/21/68/573092168.db2.gz QMYPCAZHPBFQEJ-UHFFFAOYSA-N 0 0 155.201 1.240 10 0 ADAERN Cc1cn(C[C@@H]2CCOC2)c(=S)[nH]1 88155066 573092171 /nfs/dbraw/zinc/09/21/71/573092171.db2.gz BDOQPKUCAYEGIB-QMMMGPOBSA-N 0 0 198.291 1.891 10 0 ADAERN CN(C)C(=O)N(C)c1ccccn1 114533705 573092203 /nfs/dbraw/zinc/09/22/03/573092203.db2.gz UQBDMLOPVGMDEK-UHFFFAOYSA-N 0 0 179.223 1.199 10 0 ADAERN CC(=O)[C@H](C)Sc1ccncn1 82535794 573092239 /nfs/dbraw/zinc/09/22/39/573092239.db2.gz DWVGDLNHIDECIO-ZETCQYMHSA-N 0 0 182.248 1.546 10 0 ADAERN CCC(=O)NC[C@@H](O)c1cccs1 49811992 573092262 /nfs/dbraw/zinc/09/22/62/573092262.db2.gz MJZAADOIKTYFRG-SSDOTTSWSA-N 0 0 199.275 1.308 10 0 ADAERN CC[C@]1(C)C[C@]2(CCO1)C[C@@H]2CO 88158308 573092279 /nfs/dbraw/zinc/09/22/79/573092279.db2.gz XADAMQGMJXXEKP-MXWKQRLJSA-N 0 0 184.279 1.964 10 0 ADAERN CCC(C)(C)c1nc(N)no1 82539033 573092302 /nfs/dbraw/zinc/09/23/02/573092302.db2.gz ZVZJIUQHPXAXPK-UHFFFAOYSA-N 0 0 155.201 1.339 10 0 ADAERN COc1ccc2c(c1)C[C@](C)(CO)N2 258234133 573092308 /nfs/dbraw/zinc/09/23/08/573092308.db2.gz QFSPYRUMPVAOSM-LLVKDONJSA-N 0 0 193.246 1.414 10 0 ADAERN COc1cccc([C@@]2(C)C[C@H]2CO)c1 88158056 573092309 /nfs/dbraw/zinc/09/23/09/573092309.db2.gz CAHCACRJDVSEIE-CMPLNLGQSA-N 0 0 192.258 1.965 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H]2CO)o1 88158044 573092320 /nfs/dbraw/zinc/09/23/20/573092320.db2.gz SVUSXRSCIIEKMS-HTQZYQBOSA-N 0 0 152.193 1.684 10 0 ADAERN Nc1noc(Cc2cccc(F)c2)n1 82538930 573092343 /nfs/dbraw/zinc/09/23/43/573092343.db2.gz BXQDYWYRPIZLIG-UHFFFAOYSA-N 0 0 193.181 1.382 10 0 ADAERN CC[C@H]1OC(=O)CC[C@@H]1C(C)=O 238273578 573092349 /nfs/dbraw/zinc/09/23/49/573092349.db2.gz NYTXPAWHRNSQGC-HTQZYQBOSA-N 0 0 170.208 1.307 10 0 ADAERN CN[C@H](NN)c1coc2ccccc12 259324888 573092370 /nfs/dbraw/zinc/09/23/70/573092370.db2.gz RQZYNSNWCJBWCP-SNVBAGLBSA-N 0 0 191.234 1.114 10 0 ADAERN COc1cc(N)cc2oncc12 259600104 573092383 /nfs/dbraw/zinc/09/23/83/573092383.db2.gz ZCDSTJQDKINIRM-UHFFFAOYSA-N 0 0 164.164 1.419 10 0 ADAERN Nc1noc(CC2CCCC2)n1 82539127 573092385 /nfs/dbraw/zinc/09/23/85/573092385.db2.gz IJZQVJXXRQQCNL-UHFFFAOYSA-N 0 0 167.212 1.385 10 0 ADAERN CCC[C@H]1CCO[C@@H](O)C1 238275195 573092391 /nfs/dbraw/zinc/09/23/91/573092391.db2.gz FPBXNWPRVDWZAF-JGVFFNPUSA-N 0 0 144.214 1.532 10 0 ADAERN CCC1(O)CCC(O)CC1 114531388 573092415 /nfs/dbraw/zinc/09/24/15/573092415.db2.gz XNLCWFDZTYSSMJ-UHFFFAOYSA-N 0 0 144.214 1.062 10 0 ADAERN C[C@@]1(c2ccoc2)C[C@H]1CO 88158169 573092422 /nfs/dbraw/zinc/09/24/22/573092422.db2.gz DTCJLEJQSVLGBU-IUCAKERBSA-N 0 0 152.193 1.550 10 0 ADAERN COC(=O)Cn1cc(C)[nH]c1=S 88154407 573092431 /nfs/dbraw/zinc/09/24/31/573092431.db2.gz UCWLMWNORXJUTO-UHFFFAOYSA-N 0 0 186.236 1.027 10 0 ADAERN CC[C@]1(C)C(=O)C[C@H]2C=C[C@@H]1O2 238274947 573092445 /nfs/dbraw/zinc/09/24/45/573092445.db2.gz ULNPGXIIJNXUHI-FKTZTGRPSA-N 0 0 166.220 1.699 10 0 ADAERN C[C@@]1(c2ccoc2)C[C@@H]1CO 88158167 573092446 /nfs/dbraw/zinc/09/24/46/573092446.db2.gz DTCJLEJQSVLGBU-BDAKNGLRSA-N 0 0 152.193 1.550 10 0 ADAERN CCCc1nc2cc(OC)ccn2n1 257943372 573092449 /nfs/dbraw/zinc/09/24/49/573092449.db2.gz KKUQESNILKGRME-UHFFFAOYSA-N 0 0 191.234 1.690 10 0 ADAERN C[C@H]1C=CCCC1=O 114548735 573092468 /nfs/dbraw/zinc/09/24/68/573092468.db2.gz JEKFIMOQBJSUBD-LURJTMIESA-N 0 0 110.156 1.542 10 0 ADAERN C[C@H]1CCNC(=S)CC1 104631282 573092789 /nfs/dbraw/zinc/09/27/89/573092789.db2.gz HSIACILJGRBDCQ-ZCFIWIBFSA-N 0 0 143.255 1.723 10 0 ADAERN CCSCCn1nccc1C(C)=O 308258502 573092791 /nfs/dbraw/zinc/09/27/91/573092791.db2.gz LEMKULKKUXNLIJ-UHFFFAOYSA-N 0 0 198.291 1.839 10 0 ADAERN CC(C)=C1C(=O)NC[C@H]1C 104628018 573092799 /nfs/dbraw/zinc/09/27/99/573092799.db2.gz ZBLJGOQHIHNASG-ZCFIWIBFSA-N 0 0 139.198 1.089 10 0 ADAERN CCOC(=O)N1CCC(C)(C)C1 85629243 573092817 /nfs/dbraw/zinc/09/28/17/573092817.db2.gz NUJAWZULCCVKER-UHFFFAOYSA-N 0 0 171.240 1.875 10 0 ADAERN CO[C@@H](C)Cn1cnc(C(F)F)n1 308500389 573092819 /nfs/dbraw/zinc/09/28/19/573092819.db2.gz WMMQCVASROZAOS-YFKPBYRVSA-N 0 0 191.181 1.251 10 0 ADAERN CCC1=N[C@@H](C)N[C@H]1C 104628525 573092871 /nfs/dbraw/zinc/09/28/71/573092871.db2.gz KVKXJLHCZUKFDK-WDSKDSINSA-N 0 0 126.203 1.175 10 0 ADAERN CCSC(=O)C[C@@H](O)CC 238275384 573092885 /nfs/dbraw/zinc/09/28/85/573092885.db2.gz BCTONVJVGXIENI-LURJTMIESA-N 0 0 162.254 1.427 10 0 ADAERN CCC(=O)N[C@@H](CC)N(F)F 238275296 573092992 /nfs/dbraw/zinc/09/29/92/573092992.db2.gz QYQCAZQAYUDINA-RXMQYKEDSA-N 0 0 166.171 1.320 10 0 ADAERN CCC[C@@H](C)c1nc(N)no1 82539306 573093119 /nfs/dbraw/zinc/09/31/19/573093119.db2.gz DBBIRYZRXLIUQK-RXMQYKEDSA-N 0 0 155.201 1.555 10 0 ADAERN CC(C)(O)CSc1ccncn1 82535623 573093151 /nfs/dbraw/zinc/09/31/51/573093151.db2.gz UVVYXMAIFUMBHA-UHFFFAOYSA-N 0 0 184.264 1.340 10 0 ADAERN Cc1cccc(-c2nc(N)no2)n1 82539096 573093035 /nfs/dbraw/zinc/09/30/35/573093035.db2.gz GOSQTYAMDSTFDS-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC[C@H](C)[C@H]1OC(=O)N[C@@H]1C 238275259 573093038 /nfs/dbraw/zinc/09/30/38/573093038.db2.gz NCGYUHWOSYCZNF-RRKCRQDMSA-N 0 0 157.213 1.529 10 0 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/nfs/dbraw/zinc/09/74/90/573097490.db2.gz XSOUUAMVXZROJA-VIFPVBQESA-N 0 0 188.234 1.161 10 0 ADAERN CCCc1cc(N)c(C(=O)[O-])c(C)[nH+]1 238276942 573097492 /nfs/dbraw/zinc/09/74/92/573097492.db2.gz SKTBKCHSRMRIFU-UHFFFAOYSA-N 0 0 194.234 1.623 10 0 ADAERN CC[C@H](C)C(=O)CCOC 82561273 573097495 /nfs/dbraw/zinc/09/74/95/573097495.db2.gz MFQFYYXAXRVUJV-ZETCQYMHSA-N 0 0 144.214 1.638 10 0 ADAERN Cc1ccc(C=O)c(CC2(O)CC2)c1 257943615 573097497 /nfs/dbraw/zinc/09/74/97/573097497.db2.gz ABUOTHNLGMCQQF-UHFFFAOYSA-N 0 0 190.242 1.875 10 0 ADAERN O[C@H]1[C@H]2CCCC[C@H]2CC[C@H]1O 114637296 573097521 /nfs/dbraw/zinc/09/75/21/573097521.db2.gz QDBPWQKMBGOFTF-QEYWKRMJSA-N 0 0 170.252 1.308 10 0 ADAERN CC[C@@H](O)[C@@](C)(O)c1ccncc1 238277642 573097527 /nfs/dbraw/zinc/09/75/27/573097527.db2.gz AUTYHJWKIZFPMM-ZJUUUORDSA-N 0 0 181.235 1.060 10 0 ADAERN CC(C)C[C@H](C)C(=O)c1cnn(C)n1 308501072 573097532 /nfs/dbraw/zinc/09/75/32/573097532.db2.gz WMZXXONYUPWGNY-QMMMGPOBSA-N 0 0 195.266 1.680 10 0 ADAERN CCO[C@@]1(C)CCCC1=O 238277229 573097534 /nfs/dbraw/zinc/09/75/34/573097534.db2.gz AWBJIVITARJXAZ-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H]1c1cnn(C)c1 88177619 573097601 /nfs/dbraw/zinc/09/76/01/573097601.db2.gz VKXRXGFRRPMLKL-DTWKUNHWSA-N 0 0 178.235 1.503 10 0 ADAERN CCn1cc([C@@H]2C[C@H](O)[C@@H]2C)cn1 88178912 573097555 /nfs/dbraw/zinc/09/75/55/573097555.db2.gz QCPWHBUOLCYBEP-QNSHHTMESA-N 0 0 180.251 1.387 10 0 ADAERN CCSC(=O)c1ccc(N)cc1O 238277465 573097563 /nfs/dbraw/zinc/09/75/63/573097563.db2.gz ZQBVZNKOXPTJPC-UHFFFAOYSA-N 0 0 197.259 1.868 10 0 ADAERN COc1c([C@@H](C)O)ccc(O)c1F 257943652 573097569 /nfs/dbraw/zinc/09/75/69/573097569.db2.gz ACUUKPFHEHJDKC-RXMQYKEDSA-N 0 0 186.182 1.593 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N(C)C 717114302 573097589 /nfs/dbraw/zinc/09/75/89/573097589.db2.gz UGMHDMVVADTGFQ-XFWSIPNHSA-N 0 0 196.294 1.550 10 0 ADAERN COc1ccc(CNO)c(C)c1OC 257943641 573097598 /nfs/dbraw/zinc/09/75/98/573097598.db2.gz ACPABGCUJRMECV-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN CCC[C@@H]1NC(=O)SC1=N 238277029 573097599 /nfs/dbraw/zinc/09/75/99/573097599.db2.gz VJSURHMPIXMIEF-BYPYZUCNSA-N 0 0 158.226 1.589 10 0 ADAERN C[C@@H]1C(=O)C[C@H]1c1cncc(F)c1 88177275 573097618 /nfs/dbraw/zinc/09/76/18/573097618.db2.gz PTEUNSKOADBOKV-IMTBSYHQSA-N 0 0 179.194 1.913 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N@H+](C)CC(=O)[O-] 717127666 573097631 /nfs/dbraw/zinc/09/76/31/573097631.db2.gz IVDDOVFEYFHCKO-KATARQTJSA-N 0 0 197.278 1.295 10 0 ADAERN C[C@@H]1C(=O)C[C@H]1c1cnn(C)c1 88177055 573097638 /nfs/dbraw/zinc/09/76/38/573097638.db2.gz PSZUAQRPSVDRAM-POYBYMJQSA-N 0 0 164.208 1.113 10 0 ADAERN CCc1nc(CO)ccc1Cl 238277161 573097649 /nfs/dbraw/zinc/09/76/49/573097649.db2.gz YMVJKSQZSBLIMH-UHFFFAOYSA-N 0 0 171.627 1.790 10 0 ADAERN CC1(C)CCC[C@@](C)(O)/C1=C\CO 238277044 573097658 /nfs/dbraw/zinc/09/76/58/573097658.db2.gz JPJNYFNCVOCUDK-YOOZJCNJSA-N 0 0 184.279 1.866 10 0 ADAERN CC(C)n1[n-]c2c(c1=O)C[N@H+](C)C2 257940809 573097659 /nfs/dbraw/zinc/09/76/59/573097659.db2.gz UZYVYKURSFEWDG-UHFFFAOYSA-N 0 0 181.239 1.115 10 0 ADAERN CCCC[C@@H](O)c1ncnn1CCC 308501403 573097677 /nfs/dbraw/zinc/09/76/77/573097677.db2.gz WPKPLJMNHZNLJJ-SECBINFHSA-N 0 0 197.282 1.912 10 0 ADAERN CC[C@H]1C(=O)C[C@@H]1c1cnn(CC)c1 88177694 573097681 /nfs/dbraw/zinc/09/76/81/573097681.db2.gz JMADHNFAHPEEKR-NXEZZACHSA-N 0 0 192.262 1.986 10 0 ADAERN CC1(C)[C@H](c2ccncc2)C[C@H]1O 88179002 573097687 /nfs/dbraw/zinc/09/76/87/573097687.db2.gz MWZLWQMXTVBMJM-VHSXEESVSA-N 0 0 177.247 1.956 10 0 ADAERN CC(C)C(=O)OC[C@]1(F)CCOC1 308256019 573097690 /nfs/dbraw/zinc/09/76/90/573097690.db2.gz KQBNOFGOJLNHTG-VIFPVBQESA-N 0 0 190.214 1.314 10 0 ADAERN CC(C)C[C@H](C)n1cc([C@H](C)O)nn1 308501378 573097697 /nfs/dbraw/zinc/09/76/97/573097697.db2.gz WOQPQDRBIPMPMI-IUCAKERBSA-N 0 0 197.282 1.939 10 0 ADAERN CC1CCC([NH3+])(c2nc(=O)o[n-]2)CC1 82563953 573097698 /nfs/dbraw/zinc/09/76/98/573097698.db2.gz CPXDWCNHXFMVMQ-UHFFFAOYSA-N 0 0 197.238 1.139 10 0 ADAERN COC(=O)[C@@H](C)Cc1nccs1 49805982 573097700 /nfs/dbraw/zinc/09/77/00/573097700.db2.gz JMWFMRXMUWXBQT-LURJTMIESA-N 0 0 185.248 1.495 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1c1cnccn1 88179037 573097701 /nfs/dbraw/zinc/09/77/01/573097701.db2.gz WTDNEFGMUUCYIL-APPZFPTMSA-N 0 0 178.235 1.351 10 0 ADAERN CCOC(=O)[C@@H](C1CCC1)N(C)C 259327890 573097709 /nfs/dbraw/zinc/09/77/09/573097709.db2.gz YFLKZQCYTLXQJE-SECBINFHSA-N 0 0 185.267 1.280 10 0 ADAERN CC[C@@H](C)c1ncc(CO)cn1 82562906 573097712 /nfs/dbraw/zinc/09/77/12/573097712.db2.gz IDQNAQITFXNHAF-SSDOTTSWSA-N 0 0 166.224 1.482 10 0 ADAERN Cc1nn(C)cc1[C@@H]1CC(=O)[C@H]1C 88177156 573097731 /nfs/dbraw/zinc/09/77/31/573097731.db2.gz FQVNSSUIBSLANL-POYBYMJQSA-N 0 0 178.235 1.421 10 0 ADAERN Cc1ccnc2[nH]c([C@H](C)O)nc12 82563759 573097746 /nfs/dbraw/zinc/09/77/46/573097746.db2.gz RMGYTOJZRSHKOA-LURJTMIESA-N 0 0 177.207 1.320 10 0 ADAERN CCC[C@@H]1NC(=O)[C@@H]2CC=CC[C@@H]12 238277117 573097783 /nfs/dbraw/zinc/09/77/83/573097783.db2.gz NDJLOSXFBGETCY-BBBLOLIVSA-N 0 0 179.263 1.867 10 0 ADAERN COC(=O)[C@H](C)Cc1nccs1 49805983 573097789 /nfs/dbraw/zinc/09/77/89/573097789.db2.gz JMWFMRXMUWXBQT-ZCFIWIBFSA-N 0 0 185.248 1.495 10 0 ADAERN CC[C@H]1C(=O)C[C@@H]1C 88177882 573097796 /nfs/dbraw/zinc/09/77/96/573097796.db2.gz AWCILAHYWJNMAQ-NTSWFWBYSA-N 0 0 112.172 1.622 10 0 ADAERN NOCCc1ccc(F)c(F)c1O 257943694 573097800 /nfs/dbraw/zinc/09/78/00/573097800.db2.gz AERTWLTTZMAHJY-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN C[NH2+]Cc1c(C)nc2ccc(C)nn12 258478272 573097809 /nfs/dbraw/zinc/09/78/09/573097809.db2.gz BHBOOIBNRIYCMB-UHFFFAOYSA-N 0 0 190.250 1.066 10 0 ADAERN CCCc1c(N)cnn1C(C)C 85634571 573097840 /nfs/dbraw/zinc/09/78/40/573097840.db2.gz YOILDXWFTSQNIF-UHFFFAOYSA-N 0 0 167.256 1.999 10 0 ADAERN Cc1coc(N(C)CCCCO)n1 308501179 573097845 /nfs/dbraw/zinc/09/78/45/573097845.db2.gz WVFVLLXQGTUCLJ-UHFFFAOYSA-N 0 0 184.239 1.192 10 0 ADAERN C[C@@H]1C[C@H](O)C1(C)C 88178984 573097846 /nfs/dbraw/zinc/09/78/46/573097846.db2.gz INZOOXLPRMJESJ-RITPCOANSA-N 0 0 114.188 1.413 10 0 ADAERN CC[C@H](C)[C@]1(C)NC(=O)C(C)(C)N1 238276879 573097847 /nfs/dbraw/zinc/09/78/47/573097847.db2.gz YQNBTEXMDZGCQZ-OIBJUYFYSA-N 0 0 184.283 1.247 10 0 ADAERN CC1(C)[C@H](O)C[C@@H]1c1ccncc1 88179003 573097856 /nfs/dbraw/zinc/09/78/56/573097856.db2.gz MWZLWQMXTVBMJM-NXEZZACHSA-N 0 0 177.247 1.956 10 0 ADAERN CC[C@H](C)[C@H](O)CCOC 82561521 573097858 /nfs/dbraw/zinc/09/78/58/573097858.db2.gz RQNNAVLJOOXBOA-JGVFFNPUSA-N 0 0 146.230 1.430 10 0 ADAERN CC(C)C(=O)C(F)F 114618283 573097863 /nfs/dbraw/zinc/09/78/63/573097863.db2.gz UHUVIZZGMDNTKB-UHFFFAOYSA-N 0 0 122.114 1.477 10 0 ADAERN CC[C@@H](C)c1noc([C@H](C)O)n1 82563144 573097875 /nfs/dbraw/zinc/09/78/75/573097875.db2.gz WQCMJUMFAYNNFU-RITPCOANSA-N 0 0 170.212 1.636 10 0 ADAERN CCc1nc(CC)c(CC)c(=O)[nH]1 238276525 573097877 /nfs/dbraw/zinc/09/78/77/573097877.db2.gz FVCWCKIKVVTLIN-UHFFFAOYSA-N 0 0 180.251 1.457 10 0 ADAERN CC1=C[C@@H](C)C[C@H](CNO)C1 235701624 573097894 /nfs/dbraw/zinc/09/78/94/573097894.db2.gz NIZHVYNJRIUHKZ-APPZFPTMSA-N 0 0 155.241 1.958 10 0 ADAERN COC(C)(C)C[C@H](C)[C@@H](C)O 85658681 573097901 /nfs/dbraw/zinc/09/79/01/573097901.db2.gz GNKDIXLUHPCWSX-JGVFFNPUSA-N 0 0 160.257 1.818 10 0 ADAERN Cc1ccnc2[nH]c(CN(C)C)nc12 82563745 573097904 /nfs/dbraw/zinc/09/79/04/573097904.db2.gz KXGPKWBCILGWCS-UHFFFAOYSA-N 0 0 190.250 1.328 10 0 ADAERN CC[C@@]1(C)C(=O)C[C@H]1c1cnccn1 88178056 573097941 /nfs/dbraw/zinc/09/79/41/573097941.db2.gz OXUCWTDMLHSUGP-GZMMTYOYSA-N 0 0 190.246 1.949 10 0 ADAERN C=C(OCC)n1ccc(=O)cc1 238276328 573097947 /nfs/dbraw/zinc/09/79/47/573097947.db2.gz UOAYIWZOOPRVIV-UHFFFAOYSA-N 0 0 165.192 1.313 10 0 ADAERN CC[C@@H]1C(=O)C[C@H]1c1cnn(CC)c1 88177693 573097948 /nfs/dbraw/zinc/09/79/48/573097948.db2.gz JMADHNFAHPEEKR-UWVGGRQHSA-N 0 0 192.262 1.986 10 0 ADAERN CC[C@@H](F)C(C)=O 114635191 573097978 /nfs/dbraw/zinc/09/79/78/573097978.db2.gz HWZVZKQJVLEENG-RXMQYKEDSA-N 0 0 104.124 1.324 10 0 ADAERN COc1cccc(C)c1C[C@H](C)O 257943684 573097999 /nfs/dbraw/zinc/09/79/99/573097999.db2.gz DNPYLPZLTXERDY-VIFPVBQESA-N 0 0 180.247 1.927 10 0 ADAERN CC[C@H](C)c1noc([C@H](C)O)n1 82563145 573098002 /nfs/dbraw/zinc/09/80/02/573098002.db2.gz WQCMJUMFAYNNFU-WDSKDSINSA-N 0 0 170.212 1.636 10 0 ADAERN CCC[C@@H]1NC(=O)[C@H]2CC=CC[C@@H]12 238277200 573098005 /nfs/dbraw/zinc/09/80/05/573098005.db2.gz NDJLOSXFBGETCY-UTLUCORTSA-N 0 0 179.263 1.867 10 0 ADAERN COC(C)(C)C[C@@H](C)[C@@H](C)O 85658682 573098011 /nfs/dbraw/zinc/09/80/11/573098011.db2.gz GNKDIXLUHPCWSX-HTQZYQBOSA-N 0 0 160.257 1.818 10 0 ADAERN CCC/C=C\CCN(CCO)OC 308501542 573098016 /nfs/dbraw/zinc/09/80/16/573098016.db2.gz XFHTZDHHFRMLLI-WAYWQWQTSA-N 0 0 187.283 1.589 10 0 ADAERN Cc1ccc(N(C)C)c(C[C@@H](C)O)c1 257943678 573098023 /nfs/dbraw/zinc/09/80/23/573098023.db2.gz AEHSIBURTIPIIR-SNVBAGLBSA-N 0 0 193.290 1.984 10 0 ADAERN C[C@H]1C(=O)C[C@H]1c1cnccn1 88177278 573098032 /nfs/dbraw/zinc/09/80/32/573098032.db2.gz GXELKRBAAIYKCD-RNFRBKRXSA-N 0 0 162.192 1.169 10 0 ADAERN CC[C@H]1C(=O)C[C@@H]1c1cn(C)nc1C 88177682 573098041 /nfs/dbraw/zinc/09/80/41/573098041.db2.gz UGLRDINFUJLWEJ-BDAKNGLRSA-N 0 0 192.262 1.811 10 0 ADAERN CC[S@](N)(=O)=N[C@H]1C[C@H]1C1CC1 717124884 573098046 /nfs/dbraw/zinc/09/80/46/573098046.db2.gz BMAFTWYJPCGTQM-YVZVNANGSA-N 0 0 188.296 1.147 10 0 ADAERN CC[C@H](C)ONC(=O)n1ccnc1 308502061 573098065 /nfs/dbraw/zinc/09/80/65/573098065.db2.gz XKOOYGAVNXHVOZ-ZETCQYMHSA-N 0 0 183.211 1.171 10 0 ADAERN CC[C@@H](C)c1noc(N)n1 82562818 573098084 /nfs/dbraw/zinc/09/80/84/573098084.db2.gz IOLGGCOSDZMLKI-SCSAIBSYSA-N 0 0 141.174 1.165 10 0 ADAERN NOCCc1ccc2c(c1)OCS2 257943571 573098090 /nfs/dbraw/zinc/09/80/90/573098090.db2.gz AAACMJGMSUFAED-UHFFFAOYSA-N 0 0 197.259 1.561 10 0 ADAERN CC[C@H]1C(=O)C[C@H]1c1cnn(CC)c1 88177692 573098118 /nfs/dbraw/zinc/09/81/18/573098118.db2.gz JMADHNFAHPEEKR-ZJUUUORDSA-N 0 0 192.262 1.986 10 0 ADAERN CC[C@H](C)n1ncc(CO)c1C 85655709 573098124 /nfs/dbraw/zinc/09/81/24/573098124.db2.gz NPJOJFTXBRRRRD-ZETCQYMHSA-N 0 0 168.240 1.655 10 0 ADAERN Nc1cncc(NC2CCC2)n1 82560982 573098161 /nfs/dbraw/zinc/09/81/61/573098161.db2.gz ZZBZQXDHTIFJMP-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CCn1cc([C@@H]2CC(=O)[C@H]2C)cn1 88177168 573098162 /nfs/dbraw/zinc/09/81/62/573098162.db2.gz ZTVSYOWUULADRY-IONNQARKSA-N 0 0 178.235 1.596 10 0 ADAERN Cc1c(CO)cnn1-c1ccccn1 85655568 573098181 /nfs/dbraw/zinc/09/81/81/573098181.db2.gz UYVMOHDBAWKGPP-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CC[C@@H](C)[C@H](O)CCOC 82561520 573098182 /nfs/dbraw/zinc/09/81/82/573098182.db2.gz RQNNAVLJOOXBOA-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN CCO[C@@]1(C)CCC[C@H]1O 238277261 573098193 /nfs/dbraw/zinc/09/81/93/573098193.db2.gz AZZNKRJDFMCSML-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CCc1c(N)cnn1[C@@H](C)C1CC1 85634752 573098210 /nfs/dbraw/zinc/09/82/10/573098210.db2.gz ZXLHASRCRHBDRV-ZETCQYMHSA-N 0 0 179.267 1.999 10 0 ADAERN CCC[C@@H]1NC(=O)CO[C@H]1CC 238276745 573098211 /nfs/dbraw/zinc/09/82/11/573098211.db2.gz AOGZKWLNRSJILV-YUMQZZPRSA-N 0 0 171.240 1.080 10 0 ADAERN CC[C@@H]([NH3+])c1cc(O)c(F)cc1N 238276053 573098262 /nfs/dbraw/zinc/09/82/62/573098262.db2.gz LTEHVXTXZRRFHQ-SSDOTTSWSA-N 0 0 184.214 1.523 10 0 ADAERN Cc1cnc(/C=C\CO)c(C)c1 212081008 573098268 /nfs/dbraw/zinc/09/82/68/573098268.db2.gz UNRMXGWTLNDEOF-ARJAWSKDSA-N 0 0 163.220 1.704 10 0 ADAERN CC[C@@H](C)ONC(=O)n1ccnc1 308502060 573098282 /nfs/dbraw/zinc/09/82/82/573098282.db2.gz XKOOYGAVNXHVOZ-SSDOTTSWSA-N 0 0 183.211 1.171 10 0 ADAERN C[C@H](O)Cc1ccc2cnncc2c1 257943682 573098298 /nfs/dbraw/zinc/09/82/98/573098298.db2.gz AEIQVQLLVHXGNL-QMMMGPOBSA-N 0 0 188.230 1.553 10 0 ADAERN CCc1cc(N)cc(N)c1 104635649 573098238 /nfs/dbraw/zinc/09/82/38/573098238.db2.gz YTGJCSNIOLFARW-UHFFFAOYSA-N 0 0 136.198 1.413 10 0 ADAERN CC[C@@H](C)n1ncc(CO)c1C 85655707 573098242 /nfs/dbraw/zinc/09/82/42/573098242.db2.gz NPJOJFTXBRRRRD-SSDOTTSWSA-N 0 0 168.240 1.655 10 0 ADAERN CCc1ccc(F)c(C(=O)NC)c1 238276072 573098244 /nfs/dbraw/zinc/09/82/44/573098244.db2.gz DEYSAJPEGUSBNV-UHFFFAOYSA-N 0 0 181.210 1.748 10 0 ADAERN C[C@H]1C[C@@H](O)C1(C)C 88178987 573098246 /nfs/dbraw/zinc/09/82/46/573098246.db2.gz INZOOXLPRMJESJ-NTSWFWBYSA-N 0 0 114.188 1.413 10 0 ADAERN CC[C@H](C)c1nc(N)c(C)c(=O)[nH]1 82561241 573098250 /nfs/dbraw/zinc/09/82/50/573098250.db2.gz OYLLJLBVVAYJHL-YFKPBYRVSA-N 0 0 181.239 1.174 10 0 ADAERN COC(=O)c1c(C2CC2)ccn1C 259600929 573098253 /nfs/dbraw/zinc/09/82/53/573098253.db2.gz MAGDVMJQIXDEOF-UHFFFAOYSA-N 0 0 179.219 1.689 10 0 ADAERN O=C(c1ccc[nH]1)[C@@H]1CCCOC1 82564053 573098334 /nfs/dbraw/zinc/09/83/34/573098334.db2.gz ISAFEVDFBRAIDH-MRVPVSSYSA-N 0 0 179.219 1.624 10 0 ADAERN CCC[C@@H]1C[C@](C)([C@@H](C)O)OC1=O 238276099 573098346 /nfs/dbraw/zinc/09/83/46/573098346.db2.gz UDZMBLMKAQEAAS-NQMVMOMDSA-N 0 0 186.251 1.489 10 0 ADAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1cnn(CC)c1 88178503 573098350 /nfs/dbraw/zinc/09/83/50/573098350.db2.gz WXPDRWLIVDXEHE-AXFHLTTASA-N 0 0 194.278 1.777 10 0 ADAERN CCO[C@@]1(C(C)C)NC(=O)C=C(C)O1 238276907 573098352 /nfs/dbraw/zinc/09/83/52/573098352.db2.gz SSWDUJNDJRDHAZ-SNVBAGLBSA-N 0 0 199.250 1.383 10 0 ADAERN CC[C@H](C)[C@@H](O)CCOC 82561523 573098355 /nfs/dbraw/zinc/09/83/55/573098355.db2.gz RQNNAVLJOOXBOA-YUMQZZPRSA-N 0 0 146.230 1.430 10 0 ADAERN CC[C@@H](O)[C@@H]1CCC=CO1 238276550 573098391 /nfs/dbraw/zinc/09/83/91/573098391.db2.gz FQPFJFJGMAGJJI-SFYZADRCSA-N 0 0 142.198 1.450 10 0 ADAERN CNC(=O)O[C@H](C)C(C)C 145952613 573098400 /nfs/dbraw/zinc/09/84/00/573098400.db2.gz BEHCYOCVZOJAMH-ZCFIWIBFSA-N 0 0 145.202 1.387 10 0 ADAERN CC1(OC(N)=O)CCCC1 104634130 573098407 /nfs/dbraw/zinc/09/84/07/573098407.db2.gz SIPPSFIGVNKUNN-UHFFFAOYSA-N 0 0 143.186 1.414 10 0 ADAERN Cc1cc(C2(O)CC2)ccc1O 257940810 573098417 /nfs/dbraw/zinc/09/84/17/573098417.db2.gz DEIOBJDIPBZKFH-UHFFFAOYSA-N 0 0 164.204 1.682 10 0 ADAERN CCn1cc([C@@H]2CC(=O)[C@@H]2C)cn1 88177166 573098424 /nfs/dbraw/zinc/09/84/24/573098424.db2.gz ZTVSYOWUULADRY-VXNVDRBHSA-N 0 0 178.235 1.596 10 0 ADAERN CCc1nc(CO)ccc1C 238277138 573098443 /nfs/dbraw/zinc/09/84/43/573098443.db2.gz HDXGBYKKEDOIBG-UHFFFAOYSA-N 0 0 151.209 1.445 10 0 ADAERN CCC/C=C/CCN(CCO)OC 308501540 573099430 /nfs/dbraw/zinc/09/94/30/573099430.db2.gz XFHTZDHHFRMLLI-AATRIKPKSA-N 0 0 187.283 1.589 10 0 ADAERN CCc1ccc(F)cc1CON 238277418 573098453 /nfs/dbraw/zinc/09/84/53/573098453.db2.gz PLVKLMJETXFXQF-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN CC(=O)[C@@H](F)C(F)(F)F 114635561 573098471 /nfs/dbraw/zinc/09/84/71/573098471.db2.gz MFOQKYXGXHZFDL-GSVOUGTGSA-N 0 0 144.067 1.476 10 0 ADAERN CCc1c(N)cnn1-c1cc[nH+]cc1 85634562 573098472 /nfs/dbraw/zinc/09/84/72/573098472.db2.gz XOCGOUHSODMLLZ-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CCn1cc([C@@H]2C[C@@H](O)[C@@H]2C)cn1 88178914 573098510 /nfs/dbraw/zinc/09/85/10/573098510.db2.gz QCPWHBUOLCYBEP-SZEHBUNVSA-N 0 0 180.251 1.387 10 0 ADAERN C[C@H]1CCC[C@@]([NH3+])(c2nc(=O)o[n-]2)C1 82563957 573098523 /nfs/dbraw/zinc/09/85/23/573098523.db2.gz QJQCRMOMRAEOTQ-RCOVLWMOSA-N 0 0 197.238 1.139 10 0 ADAERN Cc1nn(C)c(C)c1[C@H]1CC(=O)[C@@H]1C 88177359 573098529 /nfs/dbraw/zinc/09/85/29/573098529.db2.gz ZUUIXUHIEQOOGI-MUWHJKNJSA-N 0 0 192.262 1.729 10 0 ADAERN Cc1c(N)cc2[nH]ccc2c1O 259327507 573098549 /nfs/dbraw/zinc/09/85/49/573098549.db2.gz GJMGDJKKJLJDNY-UHFFFAOYSA-N 0 0 162.192 1.764 10 0 ADAERN CC[C@@]1(CO)CCCC(=O)C1 238277706 573098552 /nfs/dbraw/zinc/09/85/52/573098552.db2.gz WPQDYVDUVCOOKK-SECBINFHSA-N 0 0 156.225 1.518 10 0 ADAERN CC[C@@H](C)c1nc(C)cc(CO)n1 82562908 573098559 /nfs/dbraw/zinc/09/85/59/573098559.db2.gz GUXHHMASNWBDID-SSDOTTSWSA-N 0 0 180.251 1.791 10 0 ADAERN CC(C)C[C@H](C)n1cc([C@@H](C)O)nn1 308501377 573098578 /nfs/dbraw/zinc/09/85/78/573098578.db2.gz WOQPQDRBIPMPMI-DTWKUNHWSA-N 0 0 197.282 1.939 10 0 ADAERN O=C1CNCc2cc(Cl)ccc21 114612449 573098629 /nfs/dbraw/zinc/09/86/29/573098629.db2.gz UCSIPYMTIAVCTC-UHFFFAOYSA-N 0 0 181.622 1.626 10 0 ADAERN NC(=O)OC1=CCCCC1 104633896 573098631 /nfs/dbraw/zinc/09/86/31/573098631.db2.gz RVCSTXZBRDHVCE-UHFFFAOYSA-N 0 0 141.170 1.540 10 0 ADAERN CCCc1cc(N)c(O)c(N)c1 238277030 573098660 /nfs/dbraw/zinc/09/86/60/573098660.db2.gz KDGZSLWDHQEGJU-UHFFFAOYSA-N 0 0 166.224 1.509 10 0 ADAERN Cc1nn(C)c(C)c1[C@@H]1C[C@H](O)[C@@H]1C 88178788 573098664 /nfs/dbraw/zinc/09/86/64/573098664.db2.gz KGCOGNHKLHLIGT-DRTBCBBWSA-N 0 0 194.278 1.521 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1c1cnccn1 88179036 573098671 /nfs/dbraw/zinc/09/86/71/573098671.db2.gz WTDNEFGMUUCYIL-CBAPKCEASA-N 0 0 178.235 1.351 10 0 ADAERN Cc1nn(C)cc1[C@H]1CC(=O)[C@@H]1C 88177155 573098704 /nfs/dbraw/zinc/09/87/04/573098704.db2.gz FQVNSSUIBSLANL-SVRRBLITSA-N 0 0 178.235 1.421 10 0 ADAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1cccnc1 88178235 573098712 /nfs/dbraw/zinc/09/87/12/573098712.db2.gz LWXDIMNHZOOZSB-AXFHLTTASA-N 0 0 177.247 1.956 10 0 ADAERN COC(C)(C)COc1ccccn1 308255341 573098737 /nfs/dbraw/zinc/09/87/37/573098737.db2.gz IWAUPGCHXFJEIX-UHFFFAOYSA-N 0 0 181.235 1.885 10 0 ADAERN CC[C@@H]1CO[C@](C)(C(C)=O)O1 238277573 573098741 /nfs/dbraw/zinc/09/87/41/573098741.db2.gz TXISAOQSESPWGK-SFYZADRCSA-N 0 0 158.197 1.117 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1ccc[nH]1 82564009 573098742 /nfs/dbraw/zinc/09/87/42/573098742.db2.gz RCCDTGAYIIZJKU-RQJHMYQMSA-N 0 0 149.193 1.853 10 0 ADAERN Cn1c2c(c3ccccc31)COC2=O 224998161 573098751 /nfs/dbraw/zinc/09/87/51/573098751.db2.gz YRYKPUNMTOKZEK-UHFFFAOYSA-N 0 0 187.198 1.849 10 0 ADAERN CC[C@@H]1C(=O)C[C@H]1C 88177881 573098769 /nfs/dbraw/zinc/09/87/69/573098769.db2.gz AWCILAHYWJNMAQ-RITPCOANSA-N 0 0 112.172 1.622 10 0 ADAERN CCN1C(=O)Nc2ccccc2[C@H]1O 238275976 573098770 /nfs/dbraw/zinc/09/87/70/573098770.db2.gz YXTPUMQOFMLNTE-SECBINFHSA-N 0 0 192.218 1.545 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]1c1cnccn1 88177281 573098786 /nfs/dbraw/zinc/09/87/86/573098786.db2.gz GXELKRBAAIYKCD-BQBZGAKWSA-N 0 0 162.192 1.169 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1c1ccccn1 88179149 573098798 /nfs/dbraw/zinc/09/87/98/573098798.db2.gz HBCIFAICDDOPDO-SCZZXKLOSA-N 0 0 177.247 1.956 10 0 ADAERN CCc1c(N)cnn1[C@H](C)CC 85634700 573098802 /nfs/dbraw/zinc/09/88/02/573098802.db2.gz KNQLMXOTROKPJI-SSDOTTSWSA-N 0 0 167.256 1.999 10 0 ADAERN C[C@@H](O)c1c(O)cccc1O 114596219 573098825 /nfs/dbraw/zinc/09/88/25/573098825.db2.gz CUAPPGWFQPGZHS-RXMQYKEDSA-N 0 0 154.165 1.151 10 0 ADAERN CC[C@H](C)c1ncc(CO)cn1 82562907 573098832 /nfs/dbraw/zinc/09/88/32/573098832.db2.gz IDQNAQITFXNHAF-ZETCQYMHSA-N 0 0 166.224 1.482 10 0 ADAERN CC1(C)[C@@H](c2ccccn2)C[C@H]1O 88179151 573098833 /nfs/dbraw/zinc/09/88/33/573098833.db2.gz HBCIFAICDDOPDO-PSASIEDQSA-N 0 0 177.247 1.956 10 0 ADAERN O=C1NCCOCC12CCCCC2 259326175 573098834 /nfs/dbraw/zinc/09/88/34/573098834.db2.gz SFGSOOJPPCIDKY-UHFFFAOYSA-N 0 0 183.251 1.083 10 0 ADAERN CC[C@H]1C(=O)C[C@H]1c1cnccn1 88177772 573098843 /nfs/dbraw/zinc/09/88/43/573098843.db2.gz MBENDHXVOHKRGW-HTQZYQBOSA-N 0 0 176.219 1.559 10 0 ADAERN Cc1nn(C)cc1[C@H]1CC(=O)C1(C)C 88177479 573098851 /nfs/dbraw/zinc/09/88/51/573098851.db2.gz XUKVTZHONFILCH-SECBINFHSA-N 0 0 192.262 1.811 10 0 ADAERN O=C1N=C(c2ccc[nH]2)CS1 259327873 573098858 /nfs/dbraw/zinc/09/88/58/573098858.db2.gz RUIXQSAXHHMRBG-UHFFFAOYSA-N 0 0 166.205 1.844 10 0 ADAERN CC[C@@H]1CO[C@@](C)(C(C)=O)O1 238276184 573098860 /nfs/dbraw/zinc/09/88/60/573098860.db2.gz TXISAOQSESPWGK-HTQZYQBOSA-N 0 0 158.197 1.117 10 0 ADAERN C/C=C/C(=O)Nc1ccncc1C 82561001 573099423 /nfs/dbraw/zinc/09/94/23/573099423.db2.gz CXQZLNONTBPUSA-ONEGZZNKSA-N 0 0 176.219 1.905 10 0 ADAERN C[C@H]1C[C@H](O)C1(C)C 88178985 573098886 /nfs/dbraw/zinc/09/88/86/573098886.db2.gz INZOOXLPRMJESJ-WDSKDSINSA-N 0 0 114.188 1.413 10 0 ADAERN CC[C@H](C)NC1=C(Cl)C(=O)OC1 238276195 573098887 /nfs/dbraw/zinc/09/88/87/573098887.db2.gz KRJIKTVZHVFZBX-YFKPBYRVSA-N 0 0 189.642 1.382 10 0 ADAERN C[C@@H]1[C@@H](O)C[C@@H]1c1cncc(F)c1 88178967 573098893 /nfs/dbraw/zinc/09/88/93/573098893.db2.gz RTBAAEZQDDQLBT-JUWDTYFHSA-N 0 0 181.210 1.705 10 0 ADAERN CCOc1ccc(C(C)=O)c(C)n1 238276812 573098894 /nfs/dbraw/zinc/09/88/94/573098894.db2.gz QQGBBEPKYYUHCC-UHFFFAOYSA-N 0 0 179.219 1.991 10 0 ADAERN Cn1cccc1/C=C1\CCC(=O)N1 224991276 573098895 /nfs/dbraw/zinc/09/88/95/573098895.db2.gz GVILYOYLGRPABG-BQYQJAHWSA-N 0 0 176.219 1.276 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H]1C 88178576 573098902 /nfs/dbraw/zinc/09/89/02/573098902.db2.gz FBIAJJOUKFHCRL-PBXRRBTRSA-N 0 0 100.161 1.023 10 0 ADAERN C[C@H]1C(=O)C[C@H]1c1nccs1 88177254 573098917 /nfs/dbraw/zinc/09/89/17/573098917.db2.gz MCOXDCVIKZZNPP-PHDIDXHHSA-N 0 0 167.233 1.836 10 0 ADAERN O=C(c1ccc[nH]1)[C@H]1CCOC1 82564052 573098924 /nfs/dbraw/zinc/09/89/24/573098924.db2.gz DBHMYIXEKAOOOB-ZETCQYMHSA-N 0 0 165.192 1.234 10 0 ADAERN CC[C@H](C)c1noc(C(C)=O)n1 82563083 573098931 /nfs/dbraw/zinc/09/89/31/573098931.db2.gz RYXVVEVQYJXRPD-YFKPBYRVSA-N 0 0 168.196 1.786 10 0 ADAERN CCc1nc(C=O)c(C)o1 238276154 573098940 /nfs/dbraw/zinc/09/89/40/573098940.db2.gz JNGZIZSHMSMXLK-UHFFFAOYSA-N 0 0 139.154 1.358 10 0 ADAERN CC[C@H](C)c1noc(N)n1 82562819 573098956 /nfs/dbraw/zinc/09/89/56/573098956.db2.gz IOLGGCOSDZMLKI-BYPYZUCNSA-N 0 0 141.174 1.165 10 0 ADAERN CC[C@H](F)C(C)=O 114635192 573098967 /nfs/dbraw/zinc/09/89/67/573098967.db2.gz HWZVZKQJVLEENG-YFKPBYRVSA-N 0 0 104.124 1.324 10 0 ADAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1ccccn1 88178411 573098968 /nfs/dbraw/zinc/09/89/68/573098968.db2.gz JEFBWEJECGQYOL-QXEWZRGKSA-N 0 0 177.247 1.956 10 0 ADAERN CC(C)=C/C=C/CC(N)=O 104632903 573098988 /nfs/dbraw/zinc/09/89/88/573098988.db2.gz YFQLHCRTMDQHEB-ONEGZZNKSA-N 0 0 139.198 1.384 10 0 ADAERN CC(C)n1ncc(CO)c1C1CC1 85655640 573098991 /nfs/dbraw/zinc/09/89/91/573098991.db2.gz QISCQIBFVWLQDR-UHFFFAOYSA-N 0 0 180.251 1.834 10 0 ADAERN CCCCC[C@H](F)C(N)=O 104634408 573099026 /nfs/dbraw/zinc/09/90/26/573099026.db2.gz MQAXWDJZBVUYKV-LURJTMIESA-N 0 0 147.193 1.390 10 0 ADAERN CCc1c(N)cnn1C(C)C 85634578 573099036 /nfs/dbraw/zinc/09/90/36/573099036.db2.gz CFIFKAJJOLRBGD-UHFFFAOYSA-N 0 0 153.229 1.609 10 0 ADAERN 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/nfs/dbraw/zinc/10/00/92/573100092.db2.gz PWNGUKSWPILNCX-RNJXMRFFSA-N 0 0 128.215 1.803 10 0 ADAERN CC[C@]1(C)C(=O)C[C@@H]1c1cnccn1 88178059 573100096 /nfs/dbraw/zinc/10/00/96/573100096.db2.gz OXUCWTDMLHSUGP-KCJUWKMLSA-N 0 0 190.246 1.949 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cncnc1 82561430 573100101 /nfs/dbraw/zinc/10/01/01/573100101.db2.gz IZCZKABVGBIMST-VXNVDRBHSA-N 0 0 166.224 1.556 10 0 ADAERN Cc1nn(C)cc1[C@H]1CC(=O)[C@H]1C 88177157 573100105 /nfs/dbraw/zinc/10/01/05/573100105.db2.gz FQVNSSUIBSLANL-XPUUQOCRSA-N 0 0 178.235 1.421 10 0 ADAERN CC[C@@H]1CS[C@@H]1O 238278131 573100112 /nfs/dbraw/zinc/10/01/12/573100112.db2.gz FVEKBHNGVSWATP-UHNVWZDZSA-N 0 0 118.201 1.078 10 0 ADAERN CCCCC[C@@H](F)C(N)=O 104634412 573100114 /nfs/dbraw/zinc/10/01/14/573100114.db2.gz MQAXWDJZBVUYKV-ZCFIWIBFSA-N 0 0 147.193 1.390 10 0 ADAERN CC[C@@]1(O)CCCCCC1=O 238279164 573100118 /nfs/dbraw/zinc/10/01/18/573100118.db2.gz XOFYRRFNIGPJBQ-SECBINFHSA-N 0 0 156.225 1.661 10 0 ADAERN CCCCn1nnc2c(N)nccc21 238278133 573100121 /nfs/dbraw/zinc/10/01/21/573100121.db2.gz AUUOSARWHBJCJC-UHFFFAOYSA-N 0 0 191.238 1.209 10 0 ADAERN CCn1cc([C@H]2CC(=O)[C@H]2C)cn1 88177169 573100122 /nfs/dbraw/zinc/10/01/22/573100122.db2.gz ZTVSYOWUULADRY-CBAPKCEASA-N 0 0 178.235 1.596 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H]1CCOC1 82561601 573100452 /nfs/dbraw/zinc/10/04/52/573100452.db2.gz XEPDBILUIWZQIV-YIZRAAEISA-N 0 0 158.241 1.430 10 0 ADAERN Cc1c(CO)cnn1[C@@H](C)C1CC1 85655739 573100130 /nfs/dbraw/zinc/10/01/30/573100130.db2.gz AYEYZLGNEYDKFE-ZETCQYMHSA-N 0 0 180.251 1.655 10 0 ADAERN CC[C@H](C)c1noc(NC)n1 82562821 573100143 /nfs/dbraw/zinc/10/01/43/573100143.db2.gz KAUXCIZTVRXSSN-YFKPBYRVSA-N 0 0 155.201 1.625 10 0 ADAERN C[C@@H](O)Cc1cccc(NC(N)=O)c1 257943672 573100155 /nfs/dbraw/zinc/10/01/55/573100155.db2.gz AEASHJZBQMCLTL-SSDOTTSWSA-N 0 0 194.234 1.101 10 0 ADAERN CCOC(=N)[C@@H](C)C(C)=O 238278365 573100175 /nfs/dbraw/zinc/10/01/75/573100175.db2.gz RNZNZWUVSOWIFO-YFKPBYRVSA-N 0 0 143.186 1.225 10 0 ADAERN CC[C@]1(C)C(=O)C[C@H]1c1cnccn1 88178057 573100177 /nfs/dbraw/zinc/10/01/77/573100177.db2.gz OXUCWTDMLHSUGP-KWQFWETISA-N 0 0 190.246 1.949 10 0 ADAERN CCc1ccc(N)c(C(=O)OC)n1 238279285 573100189 /nfs/dbraw/zinc/10/01/89/573100189.db2.gz CUDMEEZLVDXMGX-UHFFFAOYSA-N 0 0 180.207 1.013 10 0 ADAERN C[C@H]1C(=O)C[C@@H]1c1cnn(C)c1 88177056 573100454 /nfs/dbraw/zinc/10/04/54/573100454.db2.gz PSZUAQRPSVDRAM-SVRRBLITSA-N 0 0 164.208 1.113 10 0 ADAERN CCc1cccc(C[C@@H](C)O)c1O 257940805 573100197 /nfs/dbraw/zinc/10/01/97/573100197.db2.gz DEGWWHCCCPHADQ-MRVPVSSYSA-N 0 0 180.247 1.878 10 0 ADAERN CC[C@@]1(C)C(=O)C[C@@H]1c1cnn(C)c1 88177938 573100200 /nfs/dbraw/zinc/10/02/00/573100200.db2.gz LMLVJAYDNPPPRG-MWLCHTKSSA-N 0 0 192.262 1.893 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2CCC[C@H]2N1 257940794 573100207 /nfs/dbraw/zinc/10/02/07/573100207.db2.gz UZUYOJYEBZXVPA-YIZRAAEISA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CCC[C@]([NH3+])(c2nc(=O)o[n-]2)C1 82563954 573100225 /nfs/dbraw/zinc/10/02/25/573100225.db2.gz 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/nfs/dbraw/zinc/10/02/87/573100287.db2.gz ADEWWLZMGMQTIY-APPZFPTMSA-N 0 0 161.204 1.774 10 0 ADAERN Cc1nn(C)cc1[C@@H]1C[C@@H](O)[C@@H]1C 88178742 573100293 /nfs/dbraw/zinc/10/02/93/573100293.db2.gz BQJRCGNVDBOSQY-GTNGPMTGSA-N 0 0 180.251 1.213 10 0 ADAERN CC1(C)[C@H](O)C[C@@H]1c1cccnc1 88178975 573100299 /nfs/dbraw/zinc/10/02/99/573100299.db2.gz SDCVNEQCYSZBGE-NXEZZACHSA-N 0 0 177.247 1.956 10 0 ADAERN COc1cccc(C[C@@H](C)O)c1O 257943578 573100309 /nfs/dbraw/zinc/10/03/09/573100309.db2.gz AAPHJZXYHDADQG-SSDOTTSWSA-N 0 0 182.219 1.324 10 0 ADAERN C[C@H]1C(=O)C[C@@H]1c1ccccn1 88177376 573100312 /nfs/dbraw/zinc/10/03/12/573100312.db2.gz PFNGGHUNBXFKFC-SFYZADRCSA-N 0 0 161.204 1.774 10 0 ADAERN CC[C@@H](C)C(=O)[C@@H]1CCOC1 82561410 573100326 /nfs/dbraw/zinc/10/03/26/573100326.db2.gz PKHLDBMRILGFMG-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN Cc1c(F)cc(F)cc1CON 257940684 573100333 /nfs/dbraw/zinc/10/03/33/573100333.db2.gz DCDDDPJLTRQKSK-UHFFFAOYSA-N 0 0 173.162 1.664 10 0 ADAERN CCc1c(N)cnn1-c1ccccn1 85634320 573100336 /nfs/dbraw/zinc/10/03/36/573100336.db2.gz MOPGDCPIPLQYQY-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN C[C@@H]1C(=O)C[C@H]1c1nccs1 88177255 573100347 /nfs/dbraw/zinc/10/03/47/573100347.db2.gz MCOXDCVIKZZNPP-NTSWFWBYSA-N 0 0 167.233 1.836 10 0 ADAERN C[C@@H]1C(=O)C[C@H]1c1ccncc1 88177379 573100361 /nfs/dbraw/zinc/10/03/61/573100361.db2.gz ADEWWLZMGMQTIY-IONNQARKSA-N 0 0 161.204 1.774 10 0 ADAERN CCn1cc([C@H]2CC(=O)C2(C)C)cn1 88177485 573100387 /nfs/dbraw/zinc/10/03/87/573100387.db2.gz DJXHKESROVFFOK-SECBINFHSA-N 0 0 192.262 1.986 10 0 ADAERN CC[C@@H](C)[C@H](O)Cc1cnn(CC)c1 82561564 573100390 /nfs/dbraw/zinc/10/03/90/573100390.db2.gz KJYDJBXUDNQNHH-MWLCHTKSSA-N 0 0 196.294 1.853 10 0 ADAERN CONC(=O)N(C)CC1CCCC1 308501714 573100417 /nfs/dbraw/zinc/10/04/17/573100417.db2.gz XGIOOYCRYBDKCM-UHFFFAOYSA-N 0 0 186.255 1.379 10 0 ADAERN CCCn1ncc(N)c1C(F)F 85634607 573100420 /nfs/dbraw/zinc/10/04/20/573100420.db2.gz DSKCUBFXKXQCSP-UHFFFAOYSA-N 0 0 175.182 1.813 10 0 ADAERN CC[C@@H]1C(=O)C[C@H]1c1cn(C)nc1C 88177681 573100434 /nfs/dbraw/zinc/10/04/34/573100434.db2.gz UGLRDINFUJLWEJ-DTWKUNHWSA-N 0 0 192.262 1.811 10 0 ADAERN Cc1c(F)ccc(O)c1C[C@H](C)O 257943625 573100436 /nfs/dbraw/zinc/10/04/36/573100436.db2.gz ACAYWFYPCOVPOX-LURJTMIESA-N 0 0 184.210 1.763 10 0 ADAERN O=C(CC1CC1)c1ccc[nH]1 82564074 573100441 /nfs/dbraw/zinc/10/04/41/573100441.db2.gz MHLVVWHWFOMDAT-UHFFFAOYSA-N 0 0 149.193 1.998 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H]1c1cnccn1 88177775 573100442 /nfs/dbraw/zinc/10/04/42/573100442.db2.gz MBENDHXVOHKRGW-YUMQZZPRSA-N 0 0 176.219 1.559 10 0 ADAERN Cc1nn(C)cc1[C@@H]1C[C@H](O)[C@@H]1C 88178740 573101218 /nfs/dbraw/zinc/10/12/18/573101218.db2.gz BQJRCGNVDBOSQY-YNEQXMIYSA-N 0 0 180.251 1.213 10 0 ADAERN C[C@@H]1COc2cnc(CO)cc21 114694436 573101494 /nfs/dbraw/zinc/10/14/94/573101494.db2.gz FFKPQRMZZJGVRU-ZCFIWIBFSA-N 0 0 165.192 1.070 10 0 ADAERN CC[C@H](C)C(=O)[C@H]1CCOC1 82561413 573101537 /nfs/dbraw/zinc/10/15/37/573101537.db2.gz PKHLDBMRILGFMG-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN Cc1ccnc2[nH]c([C@@H](C)O)nc12 82563758 573100904 /nfs/dbraw/zinc/10/09/04/573100904.db2.gz RMGYTOJZRSHKOA-ZCFIWIBFSA-N 0 0 177.207 1.320 10 0 ADAERN C[C@H]1CCC[C@](C)([NH3+])C1=O 104632170 573100907 /nfs/dbraw/zinc/10/09/07/573100907.db2.gz BKAKCIXMLAMXSM-XPUUQOCRSA-N 0 0 141.214 1.093 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H]1c1cn(C)nc1C 88177683 573100923 /nfs/dbraw/zinc/10/09/23/573100923.db2.gz UGLRDINFUJLWEJ-IUCAKERBSA-N 0 0 192.262 1.811 10 0 ADAERN CC[C@@]1(O)CCCC=C1CO 238279142 573100926 /nfs/dbraw/zinc/10/09/26/573100926.db2.gz VBIPEWFZNKWZST-SECBINFHSA-N 0 0 156.225 1.230 10 0 ADAERN O=C1CC[C@@H](c2cccc(O)c2)CN1 257941073 573101570 /nfs/dbraw/zinc/10/15/70/573101570.db2.gz QREVCJQYTFTXAO-SECBINFHSA-N 0 0 191.230 1.386 10 0 ADAERN C/C=C/[C@@H](C)[C@H](O)CC 238278659 573100944 /nfs/dbraw/zinc/10/09/44/573100944.db2.gz DINWILSXOCSKME-CTDODENGSA-N 0 0 128.215 1.970 10 0 ADAERN CC[C@@H]1C[C@@H](CC(N)=O)C1(C)C 238279354 573100946 /nfs/dbraw/zinc/10/09/46/573100946.db2.gz UMXNDNYKUKWEAO-SFYZADRCSA-N 0 0 169.268 1.934 10 0 ADAERN CC[C@@H]1C[C@@H](C(=O)OC)CC[C@@H]1O 238278323 573100956 /nfs/dbraw/zinc/10/09/56/573100956.db2.gz YLRPDEPBRNEPJC-VGMNWLOBSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@H](C)c1nccc(CO)n1 82562905 573100961 /nfs/dbraw/zinc/10/09/61/573100961.db2.gz VFOXKMLICYFKOZ-ZETCQYMHSA-N 0 0 166.224 1.482 10 0 ADAERN COCCc1nc2c(C)ccnc2[nH]1 82563729 573100983 /nfs/dbraw/zinc/10/09/83/573100983.db2.gz KYNSIVDTOMZGAJ-UHFFFAOYSA-N 0 0 191.234 1.455 10 0 ADAERN Cc1nn(C)cc1[C@@H]1C[C@H](O)C1(C)C 88179088 573100993 /nfs/dbraw/zinc/10/09/93/573100993.db2.gz NASXYSMDNOSVGS-UWVGGRQHSA-N 0 0 194.278 1.603 10 0 ADAERN C[C@@H]1C(=O)C[C@H]1c1ccccn1 88177375 573101000 /nfs/dbraw/zinc/10/10/00/573101000.db2.gz PFNGGHUNBXFKFC-JGVFFNPUSA-N 0 0 161.204 1.774 10 0 ADAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1cn(C)nc1C 88178351 573101017 /nfs/dbraw/zinc/10/10/17/573101017.db2.gz DTSPDEIOIVFNQS-QXEWZRGKSA-N 0 0 194.278 1.603 10 0 ADAERN CCC[C@@H]1OC(=O)N[C@@H]1C(C)C 238278739 573101018 /nfs/dbraw/zinc/10/10/18/573101018.db2.gz KXCPWNGPGCASJF-JGVFFNPUSA-N 0 0 171.240 1.920 10 0 ADAERN CC[C@@H](C)c1noc(NC)n1 82562820 573101019 /nfs/dbraw/zinc/10/10/19/573101019.db2.gz KAUXCIZTVRXSSN-RXMQYKEDSA-N 0 0 155.201 1.625 10 0 ADAERN CCn1ncc(CO)c1C(F)F 85655650 573101126 /nfs/dbraw/zinc/10/11/26/573101126.db2.gz USRLMDWVOBOJRB-UHFFFAOYSA-N 0 0 176.166 1.333 10 0 ADAERN C[C@H]1COc2cnc(CO)cc21 114694439 573101083 /nfs/dbraw/zinc/10/10/83/573101083.db2.gz FFKPQRMZZJGVRU-LURJTMIESA-N 0 0 165.192 1.070 10 0 ADAERN CCCn1ncc(N)c1C(C)C 85634602 573101090 /nfs/dbraw/zinc/10/10/90/573101090.db2.gz NYSOWSKTCQLOLD-UHFFFAOYSA-N 0 0 167.256 1.999 10 0 ADAERN CC[C@@H]1CSCCNC1=S 238278053 573101097 /nfs/dbraw/zinc/10/10/97/573101097.db2.gz NNTKQNYNZFFDPJ-ZCFIWIBFSA-N 0 0 175.322 1.676 10 0 ADAERN C[C@@H]1C(=O)C[C@H]1c1cnccn1 88177279 573101099 /nfs/dbraw/zinc/10/10/99/573101099.db2.gz GXELKRBAAIYKCD-NKWVEPMBSA-N 0 0 162.192 1.169 10 0 ADAERN 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1.835 10 0 ADAERN CCCOCC[C@@H](NN)c1ccc[nH]1 308495677 573104807 /nfs/dbraw/zinc/10/48/07/573104807.db2.gz STEMITSRLLPLAR-SNVBAGLBSA-N 0 0 197.282 1.336 10 0 ADAERN CC[C@H]1C(=O)OC[C@@H]1c1c[nH]cn1 238280226 573104815 /nfs/dbraw/zinc/10/48/15/573104815.db2.gz QMDSJZIAVCXZNP-RQJHMYQMSA-N 0 0 180.207 1.076 10 0 ADAERN COC[C@H](C)COC(=O)[C@@H]1C[C@H]1C 308256743 573104834 /nfs/dbraw/zinc/10/48/34/573104834.db2.gz JWIFYJBOWXDYDK-DJLDLDEBSA-N 0 0 186.251 1.468 10 0 ADAERN O=C(c1ccc[nH]1)[C@@H]1CCCCO1 82564120 573104845 /nfs/dbraw/zinc/10/48/45/573104845.db2.gz ZJJIVCYARKRFJX-VIFPVBQESA-N 0 0 179.219 1.767 10 0 ADAERN Cc1c(Cl)ncnc1-n1cccn1 82567195 573104871 /nfs/dbraw/zinc/10/48/71/573104871.db2.gz SBDHJJNYHODEBK-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN CN1C(=O)CC(=O)[C@@H]1[C@@]1(C)CC1(C)C 717130068 573104882 /nfs/dbraw/zinc/10/48/82/573104882.db2.gz UGNOYWSEMFVTBT-MWLCHTKSSA-N 0 0 195.262 1.222 10 0 ADAERN O[C@@H](CC1CC1)c1ccc[nH]1 82564276 573104896 /nfs/dbraw/zinc/10/48/96/573104896.db2.gz RWBZTZRZQRDJLC-VIFPVBQESA-N 0 0 151.209 1.848 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@H]1CCCO1 82564426 573104915 /nfs/dbraw/zinc/10/49/15/573104915.db2.gz KHXYHFOCXQVAHW-RKDXNWHRSA-N 0 0 167.208 1.227 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cc[nH]c1 82564154 573104924 /nfs/dbraw/zinc/10/49/24/573104924.db2.gz VBHYGWSDXPXIHK-XPUUQOCRSA-N 0 0 149.193 1.853 10 0 ADAERN C1=Nc2ccccc2C2=NCCN12 114661179 573104966 /nfs/dbraw/zinc/10/49/66/573104966.db2.gz NTTQCLSBWRKUIJ-UHFFFAOYSA-N 0 0 171.203 1.422 10 0 ADAERN CCNC(=O)NCC[C@@H]1CC[C@@H]2C[C@H]12 717129534 573104976 /nfs/dbraw/zinc/10/49/76/573104976.db2.gz FIIZOJRINWIITN-IVZWLZJFSA-N 0 0 196.294 1.742 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@@H]1CCCO1 82564424 573104983 /nfs/dbraw/zinc/10/49/83/573104983.db2.gz KHXYHFOCXQVAHW-DTWKUNHWSA-N 0 0 167.208 1.227 10 0 ADAERN CC(C)[C@H](C)CC(=O)NC[C@H](C)O 308256954 573105042 /nfs/dbraw/zinc/10/50/42/573105042.db2.gz LEGPSYVLIBKYKR-BDAKNGLRSA-N 0 0 187.283 1.166 10 0 ADAERN C/C=C/C(C)=C(/NC=O)C(=O)OCC 308256793 573105622 /nfs/dbraw/zinc/10/56/22/573105622.db2.gz NRULILPDMIYEDP-ICNYKPIKSA-N 0 0 197.234 1.146 10 0 ADAERN CC[C@H](C)c1noc([C@@H](C)N)n1 82569963 573105017 /nfs/dbraw/zinc/10/50/17/573105017.db2.gz CQZQMBYVPDLYLC-NTSWFWBYSA-N 0 0 169.228 1.603 10 0 ADAERN O=C([O-])c1cc(C[NH2+]C2CC2)sn1 257941097 573105027 /nfs/dbraw/zinc/10/50/27/573105027.db2.gz QRTUMEACWUZFFR-UHFFFAOYSA-N 0 0 198.247 1.093 10 0 ADAERN COc1ccc2c(c1)[C@@H]1C[C@H](O)[C@@H]1C2 88183720 573105043 /nfs/dbraw/zinc/10/50/43/573105043.db2.gz KQHFZVLBCRHTLD-TUAOUCFPSA-N 0 0 190.242 1.716 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccc[nH]1 82564379 573105044 /nfs/dbraw/zinc/10/50/44/573105044.db2.gz FIJPGKAJUINMPZ-FJXKBIBVSA-N 0 0 151.209 1.704 10 0 ADAERN C[C@@H]1CNc2cccc(O)c2NC1 259326783 573105092 /nfs/dbraw/zinc/10/50/92/573105092.db2.gz SHGOFFRKQKNODE-SSDOTTSWSA-N 0 0 178.235 1.866 10 0 ADAERN Cc1ccc([C@H](O)c2cc[nH]c2)o1 82564725 573105097 /nfs/dbraw/zinc/10/50/97/573105097.db2.gz KMTGMDCBVKANAL-SNVBAGLBSA-N 0 0 177.203 1.998 10 0 ADAERN CCCC[C@@H](C)CC(N)=O 104639454 573105126 /nfs/dbraw/zinc/10/51/26/573105126.db2.gz YLZYCYYKBFWDOU-SSDOTTSWSA-N 0 0 143.230 1.688 10 0 ADAERN CC(C)Oc1nc(N)cs1 257941760 573105171 /nfs/dbraw/zinc/10/51/71/573105171.db2.gz VRMVNPSBYNJCCU-UHFFFAOYSA-N 0 0 158.226 1.513 10 0 ADAERN CC(C)[C@@H](C)CC(=O)NC[C@H](C)O 308256956 573105059 /nfs/dbraw/zinc/10/50/59/573105059.db2.gz LEGPSYVLIBKYKR-IUCAKERBSA-N 0 0 187.283 1.166 10 0 ADAERN O[C@@H](CC1CC1)c1cc[nH]c1 82564556 573105077 /nfs/dbraw/zinc/10/50/77/573105077.db2.gz XJNYGQZWIDUXJX-VIFPVBQESA-N 0 0 151.209 1.848 10 0 ADAERN C/C=C/[C@@H](O)[C@@H](C)OCC 238284703 573105232 /nfs/dbraw/zinc/10/52/32/573105232.db2.gz JDYQMYMHTKCFRM-CTDODENGSA-N 0 0 144.214 1.348 10 0 ADAERN CCn1cc([C@@H]2C[C@@H](O)C2(C)C)cn1 88179242 573105244 /nfs/dbraw/zinc/10/52/44/573105244.db2.gz JRXIBPIFVBUYQN-VHSXEESVSA-N 0 0 194.278 1.777 10 0 ADAERN COC(=O)O[C@@H](C)N1CC[C@H](C)C1 308257080 573105635 /nfs/dbraw/zinc/10/56/35/573105635.db2.gz KDQSLPKLJXILFZ-YUMQZZPRSA-N 0 0 187.239 1.457 10 0 ADAERN Cn1cc([C@H]2C[C@H](O)C2(C)C)cn1 88179221 573105285 /nfs/dbraw/zinc/10/52/85/573105285.db2.gz MLCXYKBEUBLEHI-BDAKNGLRSA-N 0 0 180.251 1.295 10 0 ADAERN C[NH2+]Cc1onc2c(O)cccc12 257940842 573105306 /nfs/dbraw/zinc/10/53/06/573105306.db2.gz VAHCHENUUYLVRG-UHFFFAOYSA-N 0 0 178.191 1.253 10 0 ADAERN CCn1nc(C)c2c1NC(=O)C[C@@H]2C 238280017 573105326 /nfs/dbraw/zinc/10/53/26/573105326.db2.gz BGAVUHZKFHKNMA-LURJTMIESA-N 0 0 193.250 1.657 10 0 ADAERN COC[C@H](C)COC(=O)[C@H]1C[C@@H]1C 308256742 573105334 /nfs/dbraw/zinc/10/53/34/573105334.db2.gz JWIFYJBOWXDYDK-CIUDSAMLSA-N 0 0 186.251 1.468 10 0 ADAERN CC[C@@H]1C[C@@H](CC)C(=O)CC1=O 238279450 573105339 /nfs/dbraw/zinc/10/53/39/573105339.db2.gz RQSHLEAUNOMULM-HTQZYQBOSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)n1c(=O)[nH]c2ncccc21 114667148 573105379 /nfs/dbraw/zinc/10/53/79/573105379.db2.gz AUWZZSGSVLYKIL-UHFFFAOYSA-N 0 0 177.207 1.306 10 0 ADAERN 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/nfs/dbraw/zinc/10/55/98/573105598.db2.gz VAHMKDRNVKVGLR-QMMMGPOBSA-N 0 0 177.247 1.630 10 0 ADAERN CC[C@@H]1C[C@H](C(C)=O)CCO1 85662394 573106811 /nfs/dbraw/zinc/10/68/11/573106811.db2.gz ZDHAYWBCCFRJCC-RKDXNWHRSA-N 0 0 156.225 1.781 10 0 ADAERN Cn1cc(-c2ccccc2O)cc1N 258232477 573106626 /nfs/dbraw/zinc/10/66/26/573106626.db2.gz YOIKDPDMFLNKMG-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN CCn1nc(C)c2c1NC(=O)C[C@H]2C 238280066 573106798 /nfs/dbraw/zinc/10/67/98/573106798.db2.gz BGAVUHZKFHKNMA-ZCFIWIBFSA-N 0 0 193.250 1.657 10 0 ADAERN O[C@@H](c1cc[nH]c1)C1CCOCC1 82564769 573106800 /nfs/dbraw/zinc/10/68/00/573106800.db2.gz VUPNTPYJXBEIFR-SNVBAGLBSA-N 0 0 181.235 1.475 10 0 ADAERN CC[C@@H]1C[C@@H](O)S1 238280016 573106752 /nfs/dbraw/zinc/10/67/52/573106752.db2.gz AYBAFGCOJONZHB-UHNVWZDZSA-N 0 0 118.201 1.220 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@H]1CCCOC1 82564305 573106755 /nfs/dbraw/zinc/10/67/55/573106755.db2.gz ZJEWHVCVDGYXKT-WCBMZHEXSA-N 0 0 181.235 1.475 10 0 ADAERN 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195.262 1.222 10 0 ADAERN CC(C)(ON)[C@H]1CCCCS1 259328914 573106153 /nfs/dbraw/zinc/10/61/53/573106153.db2.gz DDNWGCFLAFXIHO-SSDOTTSWSA-N 0 0 175.297 1.941 10 0 ADAERN Nc1ccn2c3c(nc2c1)CCCC3 114669489 573106159 /nfs/dbraw/zinc/10/61/59/573106159.db2.gz VGZBJIQVPLBEPS-UHFFFAOYSA-N 0 0 187.246 1.795 10 0 ADAERN CCOC(=O)[C@]1(C)C=C[C@H](O)C=C1C 238284781 573106172 /nfs/dbraw/zinc/10/61/72/573106172.db2.gz JQZXFZTZISAKHT-GXSJLCMTSA-N 0 0 196.246 1.433 10 0 ADAERN C/C=C(\C)[C@@H](O)[C@H](O)CC 238279586 573106178 /nfs/dbraw/zinc/10/61/78/573106178.db2.gz SEHSUVLZHQSAQO-CTDODENGSA-N 0 0 144.214 1.084 10 0 ADAERN CCO[C@H](C)C(C)(C)CO 238279769 573106190 /nfs/dbraw/zinc/10/61/90/573106190.db2.gz OLDRKCGNCBINJW-SSDOTTSWSA-N 0 0 146.230 1.430 10 0 ADAERN CCSC/C=C/[C@@H](C)O 238280333 573106204 /nfs/dbraw/zinc/10/62/04/573106204.db2.gz XJYKRZBEJSQVRP-SMMXGFFBSA-N 0 0 146.255 1.677 10 0 ADAERN Cc1c(Cl)ncnc1-n1ccnc1 82567218 573106218 /nfs/dbraw/zinc/10/62/18/573106218.db2.gz 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/nfs/dbraw/zinc/11/07/59/573110759.db2.gz CEAPGSOFVVWZJL-NSHDSACASA-N 0 0 193.246 1.579 10 0 ADAERN CC(=O)C(F)(F)[C@@H]1CCCN1C 257942108 573110775 /nfs/dbraw/zinc/11/07/75/573110775.db2.gz VEPVOIQNHSBGSY-ZETCQYMHSA-N 0 0 177.194 1.305 10 0 ADAERN CC[C@@H]1NC(=O)[C@]2(C)C(=O)CCC[C@@H]12 238286040 573110802 /nfs/dbraw/zinc/11/08/02/573110802.db2.gz YPQVNWTUXRYZKO-LAEOZQHASA-N 0 0 195.262 1.270 10 0 ADAERN C[C@@H](O)CCC(=O)OCCCCF 308264076 573110826 /nfs/dbraw/zinc/11/08/26/573110826.db2.gz OYJPBIXRFKBCFZ-MRVPVSSYSA-N 0 0 192.230 1.440 10 0 ADAERN CCC[C@](O)(c1ncnn1C)C1CC1 308496193 573110830 /nfs/dbraw/zinc/11/08/30/573110830.db2.gz SUTFYDKECZWBFG-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN CC[C@@H](C)NC(=N)C(F)(F)F 238285981 573110842 /nfs/dbraw/zinc/11/08/42/573110842.db2.gz SMWIJTPAPVKPNZ-SCSAIBSYSA-N 0 0 168.162 1.914 10 0 ADAERN CC(C)N1CCC(C)(C)C(=O)C1 259332207 573110863 /nfs/dbraw/zinc/11/08/63/573110863.db2.gz RQTFNIZSJQLIHN-UHFFFAOYSA-N 0 0 169.268 1.696 10 0 ADAERN CC[C@H]1CC(=O)CCN1C(=O)N(C)C 238286972 573110870 /nfs/dbraw/zinc/11/08/70/573110870.db2.gz LFUOWIMFCZACOB-QMMMGPOBSA-N 0 0 198.266 1.112 10 0 ADAERN CCOc1ccc(N)c(=O)cc1 238285793 573111013 /nfs/dbraw/zinc/11/10/13/573111013.db2.gz SODSKRFKEYNHIH-UHFFFAOYSA-N 0 0 165.192 1.028 10 0 ADAERN CC(C)CC[C@H]([NH2+]C1CC1)C(=O)[O-] 77272365 573110988 /nfs/dbraw/zinc/11/09/88/573110988.db2.gz FZSWRBCZPVDTSE-VIFPVBQESA-N 0 0 185.267 1.628 10 0 ADAERN CCCCc1c[nH]nc1N 104641655 573110955 /nfs/dbraw/zinc/11/09/55/573110955.db2.gz MSONNZCUJZUISG-UHFFFAOYSA-N 0 0 139.202 1.335 10 0 ADAERN OCC(F)(F)[C@H]1CCSC1 258528289 573110976 /nfs/dbraw/zinc/11/09/76/573110976.db2.gz NBRGRRSQPKYLJC-YFKPBYRVSA-N 0 0 168.208 1.367 10 0 ADAERN C[NH2+][C@@H](C(C)C)C(C)(C)C(=O)[O-] 259333014 573110979 /nfs/dbraw/zinc/11/09/79/573110979.db2.gz KAZKZTGUWRVHMZ-ZETCQYMHSA-N 0 0 173.256 1.341 10 0 ADAERN CC[C@@H]1[NH2+]CCCC[C@H]1C(=O)[O-] 238286891 573111003 /nfs/dbraw/zinc/11/10/03/573111003.db2.gz DKZSJHXKKRTFFK-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN CCOC(=N)[C@@H]1CCCOC1 82580625 573111006 /nfs/dbraw/zinc/11/10/06/573111006.db2.gz IAHKXCCCLDDSPA-SSDOTTSWSA-N 0 0 157.213 1.427 10 0 ADAERN OCC(F)(F)[C@@H]1CCSC1 258528287 573111375 /nfs/dbraw/zinc/11/13/75/573111375.db2.gz NBRGRRSQPKYLJC-RXMQYKEDSA-N 0 0 168.208 1.367 10 0 ADAERN C[C@H]1C[C@H]1[NH2+]Cc1cc(C(=O)[O-])co1 128691594 573111378 /nfs/dbraw/zinc/11/13/78/573111378.db2.gz FJFKWMQHBCKERJ-IMTBSYHQSA-N 0 0 195.218 1.476 10 0 ADAERN CC(C)Cc1cnn2cc(N)cnc12 259332972 573111425 /nfs/dbraw/zinc/11/14/25/573111425.db2.gz DFOVFIAZULWALW-UHFFFAOYSA-N 0 0 190.250 1.510 10 0 ADAERN CC[C@H]1C[C@@H](C(C)=O)CCO1 85662401 573111428 /nfs/dbraw/zinc/11/14/28/573111428.db2.gz ZDHAYWBCCFRJCC-IUCAKERBSA-N 0 0 156.225 1.781 10 0 ADAERN COC1(OC)CCC[C@@H](C)C1=O 141980874 573112379 /nfs/dbraw/zinc/11/23/79/573112379.db2.gz AYLDMHBGTBNPAU-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN CCc1nc(OC)[nH]c1C 258528988 573111446 /nfs/dbraw/zinc/11/14/46/573111446.db2.gz IDNWXPQMNXCWJA-UHFFFAOYSA-N 0 0 140.186 1.289 10 0 ADAERN c1n[nH]cc1NC[C@@H]1CCCOC1 82580721 573111455 /nfs/dbraw/zinc/11/14/55/573111455.db2.gz JZWTZPZDYVZFCP-QMMMGPOBSA-N 0 0 181.239 1.248 10 0 ADAERN Nc1ccc(C2C[NH2+]C2)cc1[S-] 259329821 573111492 /nfs/dbraw/zinc/11/14/92/573111492.db2.gz DPOUKDHYMJVJKK-UHFFFAOYSA-N 0 0 180.276 1.244 10 0 ADAERN O=Cc1csc([C@@H]2CCCOC2)n1 82580691 573111517 /nfs/dbraw/zinc/11/15/17/573111517.db2.gz HWQQNFUENPKGDD-SSDOTTSWSA-N 0 0 197.259 1.850 10 0 ADAERN Nc1ccc2c(c1)C[C@H]1C[C@@H]21 104643200 573111550 /nfs/dbraw/zinc/11/15/50/573111550.db2.gz FHCUCCCSAVFYRX-OIBJUYFYSA-N 0 0 145.205 1.928 10 0 ADAERN CC[C@@H]1[C@@H](CO)CC(=O)[C@H]1C 238286756 573111555 /nfs/dbraw/zinc/11/15/55/573111555.db2.gz AMCOQZOUYOPFNQ-RNJXMRFFSA-N 0 0 156.225 1.230 10 0 ADAERN Cc1scnc1[C@@H](C)O 114721671 573111561 /nfs/dbraw/zinc/11/15/61/573111561.db2.gz CGJCGNBLICEEPH-SCSAIBSYSA-N 0 0 143.211 1.505 10 0 ADAERN CC(=O)C1(F)CCSCC1 258528258 573111577 /nfs/dbraw/zinc/11/15/77/573111577.db2.gz NAXPRYQBHKHEBC-UHFFFAOYSA-N 0 0 162.229 1.811 10 0 ADAERN CCO[C@H]1C[C@@H]1c1nn(C)c(N)c1C 689915853 573111637 /nfs/dbraw/zinc/11/16/37/573111637.db2.gz PSKDHBGDFZKHGE-YUMQZZPRSA-N 0 0 195.266 1.203 10 0 ADAERN Nc1nc([C@H]2CCCOC2)ns1 82580499 573111640 /nfs/dbraw/zinc/11/16/40/573111640.db2.gz KRLJZDWQIRNTGJ-YFKPBYRVSA-N 0 0 185.252 1.014 10 0 ADAERN O=Cc1cnc2onc(C3CC3)c2c1 82582861 573111665 /nfs/dbraw/zinc/11/16/65/573111665.db2.gz JLAKWRUVMKSPQI-UHFFFAOYSA-N 0 0 188.186 1.913 10 0 ADAERN CC[C@H](NC=O)c1ccc(N)cc1 238286083 573111676 /nfs/dbraw/zinc/11/16/76/573111676.db2.gz ROEFLRVMKVGBKY-JTQLQIEISA-N 0 0 178.235 1.466 10 0 ADAERN CCCOCC(=O)[C@@H](CCC)OC 131903088 573111678 /nfs/dbraw/zinc/11/16/78/573111678.db2.gz ZRHQWJVOJYKXLD-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN Cc1cc(N)n(C[C@H]2CCCOC2)n1 82581269 573111679 /nfs/dbraw/zinc/11/16/79/573111679.db2.gz OYPFQNWDBUAGPB-SECBINFHSA-N 0 0 195.266 1.200 10 0 ADAERN O=NOc1ccc(O)cc1 141971319 573111689 /nfs/dbraw/zinc/11/16/89/573111689.db2.gz RXCWQSAKAKHPOD-UHFFFAOYSA-N 0 0 139.110 1.452 10 0 ADAERN O[C@@H]1CCN(c2cncc(Cl)c2)C1 141967562 573111741 /nfs/dbraw/zinc/11/17/41/573111741.db2.gz ZBUBBWGHDIIFKY-SECBINFHSA-N 0 0 198.653 1.306 10 0 ADAERN Cn1nc(CO)c2c1CCC[C@@H]2F 257942006 573111752 /nfs/dbraw/zinc/11/17/52/573111752.db2.gz VCAWDRHVZXVLMA-LURJTMIESA-N 0 0 184.214 1.259 10 0 ADAERN CCCc1noc2ncc(C=O)cc12 82582871 573111760 /nfs/dbraw/zinc/11/17/60/573111760.db2.gz CZHWZKMQHGAJRW-UHFFFAOYSA-N 0 0 190.202 1.988 10 0 ADAERN CC(C)CCCCC(O)O 142024638 573111792 /nfs/dbraw/zinc/11/17/92/573111792.db2.gz BSJNHUREVCYZCQ-UHFFFAOYSA-N 0 0 146.230 1.514 10 0 ADAERN COC1(OC)CCC[C@H](C)C1=O 141981086 573111808 /nfs/dbraw/zinc/11/18/08/573111808.db2.gz AYLDMHBGTBNPAU-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN C=Cc1cc(C(=O)OC)cc(F)c1N 142016913 573111819 /nfs/dbraw/zinc/11/18/19/573111819.db2.gz FHXYEFFBZORENA-UHFFFAOYSA-N 0 0 195.193 1.838 10 0 ADAERN CC[C@H]1C[C@H](C(C)=O)CCO1 85662396 573112353 /nfs/dbraw/zinc/11/23/53/573112353.db2.gz ZDHAYWBCCFRJCC-BDAKNGLRSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1cccc(C)c1OC(N)=O 142011266 573111846 /nfs/dbraw/zinc/11/18/46/573111846.db2.gz CYMKSMOQRKBSSB-UHFFFAOYSA-N 0 0 165.192 1.761 10 0 ADAERN CCOc1ccc2c(c1)C(=O)COC2 238286948 573111861 /nfs/dbraw/zinc/11/18/61/573111861.db2.gz CVKJUZMRBANLBR-UHFFFAOYSA-N 0 0 192.214 1.798 10 0 ADAERN c1nscc1OC[C@H]1CCCO1 258528412 573111869 /nfs/dbraw/zinc/11/18/69/573111869.db2.gz NLCKSVMZKBSMOR-SSDOTTSWSA-N 0 0 185.248 1.701 10 0 ADAERN O=C1C[C@@H](CO)Cc2occc21 142014049 573111877 /nfs/dbraw/zinc/11/18/77/573111877.db2.gz QNOFFRLDMJUTAB-ZCFIWIBFSA-N 0 0 166.176 1.017 10 0 ADAERN CC[C@@H]1NC(=O)OC12CCCC2 238285667 573111898 /nfs/dbraw/zinc/11/18/98/573111898.db2.gz LZBZLVBOMZZXEG-ZETCQYMHSA-N 0 0 169.224 1.818 10 0 ADAERN CC(C)c1cn2c(n1)CCC[C@@H]2O 258529382 573112381 /nfs/dbraw/zinc/11/23/81/573112381.db2.gz SDTDMQJALBMEID-JTQLQIEISA-N 0 0 180.251 1.834 10 0 ADAERN C/C(=C/Cl)CC(N)=O 104640251 573112371 /nfs/dbraw/zinc/11/23/71/573112371.db2.gz FERCSNYXMIIMPF-ARJAWSKDSA-N 0 0 133.578 1.004 10 0 ADAERN Nc1ccc2c(c1)C[C@@H]1C[C@H]21 104643196 573112074 /nfs/dbraw/zinc/11/20/74/573112074.db2.gz FHCUCCCSAVFYRX-XCBNKYQSSA-N 0 0 145.205 1.928 10 0 ADAERN O=C(Nc1cn[nH]c1)NC1CCCC1 88255659 573112081 /nfs/dbraw/zinc/11/20/81/573112081.db2.gz JFSCWWIRKNMCKX-UHFFFAOYSA-N 0 0 194.238 1.474 10 0 ADAERN CCCc1nc(NC)oc1C 258528920 573112091 /nfs/dbraw/zinc/11/20/91/573112091.db2.gz HBVAKBWHDGQDFV-UHFFFAOYSA-N 0 0 154.213 1.977 10 0 ADAERN Oc1cccc([C@@H]2CCNO2)c1 258479446 573112092 /nfs/dbraw/zinc/11/20/92/573112092.db2.gz JCLRXAQIAMPRCC-VIFPVBQESA-N 0 0 165.192 1.358 10 0 ADAERN CCn1c(=O)ccc2c(N)cccc21 238286995 573112142 /nfs/dbraw/zinc/11/21/42/573112142.db2.gz MZNZSXNJJKZCKU-UHFFFAOYSA-N 0 0 188.230 1.604 10 0 ADAERN FCOC(F)(F)F 114719965 573112148 /nfs/dbraw/zinc/11/21/48/573112148.db2.gz LCWWNOJPOGPGQK-UHFFFAOYSA-N 0 0 118.029 1.450 10 0 ADAERN Cc1cc[nH]c2nc(C=O)nc1-2 82583203 573112204 /nfs/dbraw/zinc/11/22/04/573112204.db2.gz WYVMHCANKJSMBM-UHFFFAOYSA-N 0 0 161.164 1.079 10 0 ADAERN Cn1nc(CO)c2c1CCC[C@H]2F 257942008 573112246 /nfs/dbraw/zinc/11/22/46/573112246.db2.gz VCAWDRHVZXVLMA-ZCFIWIBFSA-N 0 0 184.214 1.259 10 0 ADAERN CN1CC(C)(C)Nc2c(N)cccc21 259332587 573112288 /nfs/dbraw/zinc/11/22/88/573112288.db2.gz SPXALGYMZIERFT-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN COC(=O)C(C)(C)c1ccco1 258479240 573112720 /nfs/dbraw/zinc/11/27/20/573112720.db2.gz IZAFBBVSGFNVHA-UHFFFAOYSA-N 0 0 168.192 1.730 10 0 ADAERN CC1(C[C@@H](O)[C@H](O)C2CC2)CCC1 308264299 573112732 /nfs/dbraw/zinc/11/27/32/573112732.db2.gz OKDRDNDFMGWIBV-NXEZZACHSA-N 0 0 184.279 1.699 10 0 ADAERN C[C@H](c1ccncc1)[C@H](O)C1CC1 85669338 573112738 /nfs/dbraw/zinc/11/27/38/573112738.db2.gz OGEXLHWXXYPJCD-KCJUWKMLSA-N 0 0 177.247 1.956 10 0 ADAERN CSc1cc2ncnc-2[n-][nH+]1 142038039 573112754 /nfs/dbraw/zinc/11/27/54/573112754.db2.gz UKDGCWASHGUVFC-UHFFFAOYSA-N 0 0 166.209 1.075 10 0 ADAERN CC1(C[C@H](O)[C@@H](O)C2CC2)CCC1 308264300 573112779 /nfs/dbraw/zinc/11/27/79/573112779.db2.gz OKDRDNDFMGWIBV-UWVGGRQHSA-N 0 0 184.279 1.699 10 0 ADAERN CC[C@H]1C/C(=C\C(=O)[O-])CC[N@@H+]1C 238286315 573112796 /nfs/dbraw/zinc/11/27/96/573112796.db2.gz XUWSKNNQLGAMGM-FUOZMLNRSA-N 0 0 183.251 1.502 10 0 ADAERN CCC/C=C(/F)C[C@@H]([NH3+])C(=O)[O-] 225128305 573112801 /nfs/dbraw/zinc/11/28/01/573112801.db2.gz LDBPIWIUYJCIJQ-PTYLAXBQSA-N 0 0 175.203 1.442 10 0 ADAERN O=C(N[C@H]1C[C@H]1C1CC1)c1ccco1 717144019 573112852 /nfs/dbraw/zinc/11/28/52/573112852.db2.gz RYPUCRZIOQOOPV-IUCAKERBSA-N 0 0 191.230 1.808 10 0 ADAERN CCc1ccc(OC)c2cncn12 238286202 573112867 /nfs/dbraw/zinc/11/28/67/573112867.db2.gz WJWOKJYFWLYJRJ-UHFFFAOYSA-N 0 0 176.219 1.905 10 0 ADAERN CC[C@@H](C)[C@H](C)OC(N)=O 104644672 573112920 /nfs/dbraw/zinc/11/29/20/573112920.db2.gz SXDMZRYCPGSWPW-RITPCOANSA-N 0 0 145.202 1.516 10 0 ADAERN C[C@H](CNC(=O)N(C)C)C(F)(F)F 308264490 573112937 /nfs/dbraw/zinc/11/29/37/573112937.db2.gz PCMOLXPOCIUXIE-RXMQYKEDSA-N 0 0 198.188 1.456 10 0 ADAERN CCc1c(C)[nH]c(C(=O)OC)c1C 238286781 573112944 /nfs/dbraw/zinc/11/29/44/573112944.db2.gz QWPJZADJVAEQML-UHFFFAOYSA-N 0 0 181.235 1.981 10 0 ADAERN CCc1c(C(N)=O)[nH]c2ccccc12 238285288 573112949 /nfs/dbraw/zinc/11/29/49/573112949.db2.gz HZLHZWIVSRYPEV-UHFFFAOYSA-N 0 0 188.230 1.829 10 0 ADAERN CC(C)(C[C@H]1CCSC1)ON 259333271 573112951 /nfs/dbraw/zinc/11/29/51/573112951.db2.gz DKONKXCDNIWPPW-SSDOTTSWSA-N 0 0 175.297 1.799 10 0 ADAERN CCc1ccc(OC)cc1C(=O)NC 238286403 573112963 /nfs/dbraw/zinc/11/29/63/573112963.db2.gz IKXFFYYBESZQJM-UHFFFAOYSA-N 0 0 193.246 1.617 10 0 ADAERN C[C@@H]1C[C@H]1[NH2+]Cc1cc(C(=O)[O-])co1 128691310 573112996 /nfs/dbraw/zinc/11/29/96/573112996.db2.gz FJFKWMQHBCKERJ-HZGVNTEJSA-N 0 0 195.218 1.476 10 0 ADAERN c1cc2cc(-c3nnon3)ccc2[nH]1 143951185 573113008 /nfs/dbraw/zinc/11/30/08/573113008.db2.gz PBXSRZFSJWCXRK-UHFFFAOYSA-N 0 0 186.174 1.613 10 0 ADAERN CC(=O)N1C(=O)c2ccccc2[C@@H]1C 197986040 573113040 /nfs/dbraw/zinc/11/30/40/573113040.db2.gz FTAYOMCGECIKFG-ZETCQYMHSA-N 0 0 189.214 1.750 10 0 ADAERN O=c1cc(C2CCSCC2)[nH][nH]1 257944723 573113052 /nfs/dbraw/zinc/11/30/52/573113052.db2.gz VNLXTVZJVURSFM-UHFFFAOYSA-N 0 0 184.264 1.726 10 0 ADAERN CCn1c([C@@H](C)O)nc2cccnc21 82583537 573113068 /nfs/dbraw/zinc/11/30/68/573113068.db2.gz SOHQUGCTQIVBDQ-SSDOTTSWSA-N 0 0 191.234 1.505 10 0 ADAERN CC[C@H]1C(CO)[C@@H]1CC 238285226 573114003 /nfs/dbraw/zinc/11/40/03/573114003.db2.gz YKHUEPWSGGIWFX-RNFRBKRXSA-N 0 0 128.215 1.661 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]1C[NH+]1CC=CC1 114701598 573113099 /nfs/dbraw/zinc/11/30/99/573113099.db2.gz ZMGANYHMIXRHFW-VHSXEESVSA-N 0 0 195.262 1.359 10 0 ADAERN O[C@@H]1CCCn2c(C3CC3)cnc21 257944498 573113113 /nfs/dbraw/zinc/11/31/13/573113113.db2.gz VLQKLJUSWVBSTO-SECBINFHSA-N 0 0 178.235 1.588 10 0 ADAERN COc1nc2c(CNO)cccc2o1 257953946 573113125 /nfs/dbraw/zinc/11/31/25/573113125.db2.gz BFQJZWXVSMUBFA-UHFFFAOYSA-N 0 0 194.190 1.315 10 0 ADAERN NC(=O)[C@H]1CC=C(F)CC1 104647339 573113127 /nfs/dbraw/zinc/11/31/27/573113127.db2.gz CPDWFOHJENSIBJ-YFKPBYRVSA-N 0 0 143.161 1.125 10 0 ADAERN CCOc1ccc(N)c2c1CCC2=O 238286337 573113172 /nfs/dbraw/zinc/11/31/72/573113172.db2.gz FANQMYDWDCDKNU-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN Cc1nc(C=O)nc2c1CCCC2 257944380 573113192 /nfs/dbraw/zinc/11/31/92/573113192.db2.gz VKNIWHMEMLFFSY-UHFFFAOYSA-N 0 0 176.219 1.476 10 0 ADAERN C[C@@H](O)[C@H]1OC(=O)c2ccccc21 142044283 573113198 /nfs/dbraw/zinc/11/31/98/573113198.db2.gz DGVATGXQLLEFQV-HZGVNTEJSA-N 0 0 178.187 1.279 10 0 ADAERN C[C@H]1CCC[C@@H](c2noc(CO)n2)C1 82583371 573113203 /nfs/dbraw/zinc/11/32/03/573113203.db2.gz ANGUFUMHVBJCHF-JGVFFNPUSA-N 0 0 196.250 1.856 10 0 ADAERN Cc1cc(C[C@@H](C)O)c(F)cc1O 257953914 573113204 /nfs/dbraw/zinc/11/32/04/573113204.db2.gz BEZLSCHCAJDWTN-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN CCc1noc(CC)c1CO 114721356 573113235 /nfs/dbraw/zinc/11/32/35/573113235.db2.gz JRHURIYINRHZCR-UHFFFAOYSA-N 0 0 155.197 1.292 10 0 ADAERN COc1c(O)cccc1C(C)(C)O 257953904 573113257 /nfs/dbraw/zinc/11/32/57/573113257.db2.gz BESJMVGSNBXNIS-UHFFFAOYSA-N 0 0 182.219 1.628 10 0 ADAERN OCc1nc(-c2cccc(F)c2)no1 82583342 573113302 /nfs/dbraw/zinc/11/33/02/573113302.db2.gz RKTGXJVXIMMWMG-UHFFFAOYSA-N 0 0 194.165 1.368 10 0 ADAERN CC1=CC[C@H](C(N)=O)CC1 104644144 573113327 /nfs/dbraw/zinc/11/33/27/573113327.db2.gz YOUXMVZSALAVJO-ZETCQYMHSA-N 0 0 139.198 1.218 10 0 ADAERN CC1(C)c2cccc(O)c2CC[C@H]1O 259329501 573113330 /nfs/dbraw/zinc/11/33/30/573113330.db2.gz ONDXLCQVMHBYEK-LLVKDONJSA-N 0 0 192.258 1.977 10 0 ADAERN CCOC(=O)N[C@H]1CCC=C(C)O1 238285361 573113344 /nfs/dbraw/zinc/11/33/44/573113344.db2.gz SZXUXLFECTZOOV-MRVPVSSYSA-N 0 0 185.223 1.773 10 0 ADAERN CC[C@@H](C)[C@@H](C)OC(N)=O 104644666 573113363 /nfs/dbraw/zinc/11/33/63/573113363.db2.gz SXDMZRYCPGSWPW-PHDIDXHHSA-N 0 0 145.202 1.516 10 0 ADAERN CC[C@@H](O)c1sccc1N 238285457 573113369 /nfs/dbraw/zinc/11/33/69/573113369.db2.gz BGWZBWVBQOGWJS-ZCFIWIBFSA-N 0 0 157.238 1.774 10 0 ADAERN Nc1sncc1C(=O)NC1CCC1 257944266 573113373 /nfs/dbraw/zinc/11/33/73/573113373.db2.gz RGOUISNQNTXZCA-UHFFFAOYSA-N 0 0 197.263 1.008 10 0 ADAERN CC(C)(C[C@@H]1CCSC1)ON 259333273 573113381 /nfs/dbraw/zinc/11/33/81/573113381.db2.gz DKONKXCDNIWPPW-ZETCQYMHSA-N 0 0 175.297 1.799 10 0 ADAERN Cc1ccc(-c2nc(C=O)no2)s1 257943883 573113385 /nfs/dbraw/zinc/11/33/85/573113385.db2.gz IDMFBGFPHFULNU-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN OC[C@@H]1CCc2c(Cl)ncnc2C1 114718278 573113403 /nfs/dbraw/zinc/11/34/03/573113403.db2.gz ZOGQNRNBKPXSMR-ZCFIWIBFSA-N 0 0 198.653 1.227 10 0 ADAERN CCc1ccc(OC)c2ncc(N)n12 238286273 573113407 /nfs/dbraw/zinc/11/34/07/573113407.db2.gz XKIBLGNAPNQHAV-UHFFFAOYSA-N 0 0 191.234 1.488 10 0 ADAERN CCOC(=O)N[C@@H]1C=CCCO1 238286928 573113456 /nfs/dbraw/zinc/11/34/56/573113456.db2.gz AYMDEOWBUADMDG-ZETCQYMHSA-N 0 0 171.196 1.035 10 0 ADAERN CCOC(=O)[C@@]1(C)C=C[C@@H](O)CC1 238285327 573113480 /nfs/dbraw/zinc/11/34/80/573113480.db2.gz YDMANMDPNINVIC-SCZZXKLOSA-N 0 0 184.235 1.267 10 0 ADAERN OC[C@@H]1Cc2ccc(F)cc2C1 142060247 573113483 /nfs/dbraw/zinc/11/34/83/573113483.db2.gz KFSZEXKUEMSKDW-SSDOTTSWSA-N 0 0 166.195 1.533 10 0 ADAERN CC[C@H](C)n1c(=O)[nH]c2cccnc21 238286123 573113492 /nfs/dbraw/zinc/11/34/92/573113492.db2.gz KUERIZHMILLLMK-ZETCQYMHSA-N 0 0 191.234 1.696 10 0 ADAERN CCn1c(CO)nc2c(F)cccc21 82583321 573113512 /nfs/dbraw/zinc/11/35/12/573113512.db2.gz JBINZNSSHRWMSF-UHFFFAOYSA-N 0 0 194.209 1.688 10 0 ADAERN CCOc1ccc2c(c1O)CCC2=O 238286388 573113572 /nfs/dbraw/zinc/11/35/72/573113572.db2.gz CIFBJFWXIXRSQR-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN CC[C@@H](O)c1cncc2nccn12 238285299 573113586 /nfs/dbraw/zinc/11/35/86/573113586.db2.gz CKWGJOGRKNNPGM-MRVPVSSYSA-N 0 0 177.207 1.173 10 0 ADAERN CC[C@H]1C=CC=C(C)NC1=O 238285672 573113596 /nfs/dbraw/zinc/11/35/96/573113596.db2.gz WFUYFGHOVWYQME-QMMMGPOBSA-N 0 0 151.209 1.602 10 0 ADAERN CCOC(=O)[C@@]1(C)C=C[C@H](O)CC1 238285268 573113946 /nfs/dbraw/zinc/11/39/46/573113946.db2.gz YDMANMDPNINVIC-WPRPVWTQSA-N 0 0 184.235 1.267 10 0 ADAERN C[C@@H](OC(=O)C1(C)COC1)C(F)F 308261976 573113951 /nfs/dbraw/zinc/11/39/51/573113951.db2.gz NTIMIDXCFVTJRC-RXMQYKEDSA-N 0 0 194.177 1.220 10 0 ADAERN CC[C@@H](CCO)CCCO 142057193 573113918 /nfs/dbraw/zinc/11/39/18/573113918.db2.gz GAXKSEKIKLJOTF-MRVPVSSYSA-N 0 0 146.230 1.168 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]2CCC[C@@H]2[NH2+]1 142080799 573113927 /nfs/dbraw/zinc/11/39/27/573113927.db2.gz OODZXJWWMUWYHL-CIUDSAMLSA-N 0 0 183.251 1.382 10 0 ADAERN CC[C@@H]1[NH2+]CCCC[C@H]1CC(=O)[O-] 238286903 573113931 /nfs/dbraw/zinc/11/39/31/573113931.db2.gz KZZKNKDDTAMUHL-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H](OC(=O)C1(C)COC1)C(F)F 308261977 573113938 /nfs/dbraw/zinc/11/39/38/573113938.db2.gz NTIMIDXCFVTJRC-YFKPBYRVSA-N 0 0 194.177 1.220 10 0 ADAERN Cn1nc(-c2cccc(O)c2)cc1N 259332335 573113941 /nfs/dbraw/zinc/11/39/41/573113941.db2.gz SONZZBZKUQDXDZ-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN COC(=O)[C@@H](CF)NCC(C)(C)C 308262122 573113943 /nfs/dbraw/zinc/11/39/43/573113943.db2.gz NDOKUTJJFWJZJB-SSDOTTSWSA-N 0 0 191.246 1.133 10 0 ADAERN C=C/C=C/CCCC(N)=O 104645810 573113973 /nfs/dbraw/zinc/11/39/73/573113973.db2.gz HGTJEGLUKAJMPO-ONEGZZNKSA-N 0 0 139.198 1.384 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+]1CC2(CC2)C1 128728729 573114012 /nfs/dbraw/zinc/11/40/12/573114012.db2.gz DOXMLDUIFDNULK-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC1(C)C(=O)Nc2ccc(C=O)cc21 82588258 573114044 /nfs/dbraw/zinc/11/40/44/573114044.db2.gz AZRQSYHUYGULCM-UHFFFAOYSA-N 0 0 189.214 1.729 10 0 ADAERN CC[N@@H+]1CCC(C)(C)[C@@H](CC(=O)[O-])C1 259329578 573114082 /nfs/dbraw/zinc/11/40/82/573114082.db2.gz RIFHAPVCGTWZMK-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](O)CCC(=O)OC1CCCC1 308261517 573114094 /nfs/dbraw/zinc/11/40/94/573114094.db2.gz NOQINEONBXBLQN-QMMMGPOBSA-N 0 0 186.251 1.633 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+]1CC(C)C1 128729644 573114096 /nfs/dbraw/zinc/11/40/96/573114096.db2.gz IVPJBJLLURKPPH-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN CCn1c([C@H](C)O)nc2cccnc21 82583538 573114097 /nfs/dbraw/zinc/11/40/97/573114097.db2.gz SOHQUGCTQIVBDQ-ZETCQYMHSA-N 0 0 191.234 1.505 10 0 ADAERN CC(=O)c1cc(Cc2ccco2)[nH]n1 259332255 573114103 /nfs/dbraw/zinc/11/41/03/573114103.db2.gz SNZCRNDMDFHKLV-UHFFFAOYSA-N 0 0 190.202 1.796 10 0 ADAERN CC(C)(C)Oc1cncc(C[NH3+])n1 85694993 573114112 /nfs/dbraw/zinc/11/41/12/573114112.db2.gz VCVZIBLADCTNTK-UHFFFAOYSA-N 0 0 181.239 1.113 10 0 ADAERN C[C@H]1CC[C@H](C(N)=O)[C@H]1C 104647320 573114118 /nfs/dbraw/zinc/11/41/18/573114118.db2.gz KNTKPYACFQBXRT-ACZMJKKPSA-N 0 0 141.214 1.154 10 0 ADAERN CC[C@@](C)(Br)C(=O)NC 238286379 573114137 /nfs/dbraw/zinc/11/41/37/573114137.db2.gz HHTPGILRHVWJQW-ZCFIWIBFSA-N 0 0 194.072 1.296 10 0 ADAERN Cc1ccccc1[C@@](C)([NH3+])CC(=O)[O-] 77277732 573114198 /nfs/dbraw/zinc/11/41/98/573114198.db2.gz IUDUCCSVXMDVCG-NSHDSACASA-N 0 0 193.246 1.644 10 0 ADAERN CCCCN(C)c1cncc(C[NH3+])n1 85693726 573114216 /nfs/dbraw/zinc/11/42/16/573114216.db2.gz QEXPIRWZXNSEIG-UHFFFAOYSA-N 0 0 194.282 1.172 10 0 ADAERN CC[C@H]1N=C(C)CC(C)(C)N1 238286407 573114225 /nfs/dbraw/zinc/11/42/25/573114225.db2.gz QVXLYGNXUABTMA-QMMMGPOBSA-N 0 0 154.257 1.955 10 0 ADAERN C[C@@H]1CCC[C@H](c2noc(CO)n2)C1 82583368 573114235 /nfs/dbraw/zinc/11/42/35/573114235.db2.gz ANGUFUMHVBJCHF-SFYZADRCSA-N 0 0 196.250 1.856 10 0 ADAERN COc1ccc(OC)c2c1CC(=O)N2 82588672 573114250 /nfs/dbraw/zinc/11/42/50/573114250.db2.gz VGJFMBHGNYBEFY-UHFFFAOYSA-N 0 0 193.202 1.198 10 0 ADAERN CC(C)(CO)N(Cl)Cl 142026036 573114251 /nfs/dbraw/zinc/11/42/51/573114251.db2.gz VLSDNXBFQAMHHH-UHFFFAOYSA-N 0 0 158.028 1.367 10 0 ADAERN CCOc1ccc(N)c2nsnc12 238286733 573114252 /nfs/dbraw/zinc/11/42/52/573114252.db2.gz QCBIOIXQNGUQDD-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN Cc1c[nH]c(-c2cc(N)n[nH]2)c1 258529966 573114255 /nfs/dbraw/zinc/11/42/55/573114255.db2.gz NFGWENQBIMEZIF-UHFFFAOYSA-N 0 0 162.196 1.295 10 0 ADAERN CCc1cc(C(=O)NC)ccc1OC 259329427 573114262 /nfs/dbraw/zinc/11/42/62/573114262.db2.gz USGGLDKNUJJWAG-UHFFFAOYSA-N 0 0 193.246 1.617 10 0 ADAERN C/C=C/C(=O)N1CCO[C@H]2CCC[C@@H]21 88383558 573114264 /nfs/dbraw/zinc/11/42/64/573114264.db2.gz JNJMTBKZYIPIRI-BMRYVVEKSA-N 0 0 195.262 1.342 10 0 ADAERN Nc1cc(COc2cccnc2)no1 257944534 573114285 /nfs/dbraw/zinc/11/42/85/573114285.db2.gz RJXCCUBTKGFNLE-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN O=Cc1nc(-c2ccco2)no1 82583246 573114302 /nfs/dbraw/zinc/11/43/02/573114302.db2.gz FBGOWCGWXDFBSP-UHFFFAOYSA-N 0 0 164.120 1.142 10 0 ADAERN CCOC[C@H](O)c1cc(F)ccc1N 131922360 573114876 /nfs/dbraw/zinc/11/48/76/573114876.db2.gz BXFKUSBHNAJWQL-JTQLQIEISA-N 0 0 199.225 1.478 10 0 ADAERN CCC[C@@H](C[NH2+]C1CCC1)C(=O)[O-] 258232860 573114364 /nfs/dbraw/zinc/11/43/64/573114364.db2.gz RNIZNKYRMKHZPE-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN COc1nc(F)c(F)c(N)c1F 142048804 573114371 /nfs/dbraw/zinc/11/43/71/573114371.db2.gz BSZDZYITLGLWSS-UHFFFAOYSA-N 0 0 178.113 1.090 10 0 ADAERN CC(C)=CCCCC(N)=O 104645261 573114377 /nfs/dbraw/zinc/11/43/77/573114377.db2.gz CVSPVMOYKWNJGR-UHFFFAOYSA-N 0 0 141.214 1.608 10 0 ADAERN OCc1nc(Cc2ccccc2)no1 82583333 573114387 /nfs/dbraw/zinc/11/43/87/573114387.db2.gz DCPURBYSNWKZOH-UHFFFAOYSA-N 0 0 190.202 1.153 10 0 ADAERN CC(C)=CC(C)(C)C(N)=O 104646857 573114877 /nfs/dbraw/zinc/11/48/77/573114877.db2.gz BXPQXLINRCUUCL-UHFFFAOYSA-N 0 0 141.214 1.464 10 0 ADAERN C[C@H]1CNc2cccc(CO)c2O1 259332242 573114428 /nfs/dbraw/zinc/11/44/28/573114428.db2.gz SNVJJPRBDOINDT-ZETCQYMHSA-N 0 0 179.219 1.372 10 0 ADAERN CC[C@@H](O)c1nccnc1Cl 238285404 573114481 /nfs/dbraw/zinc/11/44/81/573114481.db2.gz AYLPGLZGHVVSJE-RXMQYKEDSA-N 0 0 172.615 1.573 10 0 ADAERN CC(C)c1cocn1 114702639 573114488 /nfs/dbraw/zinc/11/44/88/573114488.db2.gz QNUATAPIFCVSFE-UHFFFAOYSA-N 0 0 111.144 1.798 10 0 ADAERN O=C(N[C@H]1C[C@@H]1C1CC1)c1ccco1 717144013 573114501 /nfs/dbraw/zinc/11/45/01/573114501.db2.gz RYPUCRZIOQOOPV-BDAKNGLRSA-N 0 0 191.230 1.808 10 0 ADAERN CCC(C(N)=O)=C(C)C 104645215 573114535 /nfs/dbraw/zinc/11/45/35/573114535.db2.gz CIQRFIBIJDVLKP-UHFFFAOYSA-N 0 0 127.187 1.218 10 0 ADAERN OCc1cncc(OC2CCCC2)n1 85695592 573114539 /nfs/dbraw/zinc/11/45/39/573114539.db2.gz BUDQJPQKHCLFAD-UHFFFAOYSA-N 0 0 194.234 1.290 10 0 ADAERN Cc1cccc(-c2noc(C=O)n2)n1 82583296 573114552 /nfs/dbraw/zinc/11/45/52/573114552.db2.gz CQFNCSIBKBQNSR-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN COCC[C@@H]1CCN(C(=O)OC)C1 308261934 573114572 /nfs/dbraw/zinc/11/45/72/573114572.db2.gz NBGWOWHZYLFRSZ-QMMMGPOBSA-N 0 0 187.239 1.111 10 0 ADAERN CC1(C)CC(=O)CN1C(=O)C1CCC1 259329727 573114598 /nfs/dbraw/zinc/11/45/98/573114598.db2.gz XRNBNHQGCUJCIQ-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN CCOc1ccc2c(c1O)C(=O)CC2 238286548 573114603 /nfs/dbraw/zinc/11/46/03/573114603.db2.gz KAOONPHGVXTLMK-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN CSC[C@H]1CCNCC1(F)F 257944688 573114609 /nfs/dbraw/zinc/11/46/09/573114609.db2.gz VNAPNCUGLRWHRC-ZCFIWIBFSA-N 0 0 181.251 1.594 10 0 ADAERN CCOC(=O)c1cncn1C(C)C 259329449 573114610 /nfs/dbraw/zinc/11/46/10/573114610.db2.gz KUSXIXBLXQHGIA-UHFFFAOYSA-N 0 0 182.223 1.641 10 0 ADAERN CCC1=C(C(C)C)C(=O)NC1=O 238285247 573114641 /nfs/dbraw/zinc/11/46/41/573114641.db2.gz FZMKAEPUQBDSBX-UHFFFAOYSA-N 0 0 167.208 1.005 10 0 ADAERN Cc1c(O)ccc(N)c1Cl 114744481 573114642 /nfs/dbraw/zinc/11/46/42/573114642.db2.gz YEXICSCVATZFIP-UHFFFAOYSA-N 0 0 157.600 1.936 10 0 ADAERN CCn1c(C=O)nc2cccnc21 82583535 573114658 /nfs/dbraw/zinc/11/46/58/573114658.db2.gz PZNWUXAJNMFBPV-UHFFFAOYSA-N 0 0 175.191 1.264 10 0 ADAERN CC[C@H](NC=O)c1ccccn1 238286165 573114675 /nfs/dbraw/zinc/11/46/75/573114675.db2.gz HBTATUFAJINHRK-QMMMGPOBSA-N 0 0 164.208 1.279 10 0 ADAERN CNCC(=O)OCc1ccccc1C 77277697 573114679 /nfs/dbraw/zinc/11/46/79/573114679.db2.gz LQTIHVMBMVPBIY-UHFFFAOYSA-N 0 0 193.246 1.258 10 0 ADAERN CC[C@H]1C=C([N+](=O)[O-])C=CN1O 238285556 573114681 /nfs/dbraw/zinc/11/46/81/573114681.db2.gz ABJDSEPJRJOTEK-LURJTMIESA-N 0 0 170.168 1.144 10 0 ADAERN C=C=C(CCCC)C(N)=O 104643758 573114731 /nfs/dbraw/zinc/11/47/31/573114731.db2.gz YCFQBFHUCHUBHD-UHFFFAOYSA-N 0 0 139.198 1.373 10 0 ADAERN CC[C@@H]1[NH2+]CCCC[C@@H]1C(=O)[O-] 238286866 573114747 /nfs/dbraw/zinc/11/47/47/573114747.db2.gz DKZSJHXKKRTFFK-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN OCCc1cc(F)c(F)nc1F 114698909 573114749 /nfs/dbraw/zinc/11/47/49/573114749.db2.gz JJZKYBYUOYEKKN-UHFFFAOYSA-N 0 0 177.125 1.034 10 0 ADAERN O=CC1=NO[C@H](C2CCC2)C1 258530359 573114774 /nfs/dbraw/zinc/11/47/74/573114774.db2.gz NGCNPUFAYGBFSR-QMMMGPOBSA-N 0 0 153.181 1.130 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1nccn1C 88362408 573114798 /nfs/dbraw/zinc/11/47/98/573114798.db2.gz UWXGXBSHNIWKGL-RQJHMYQMSA-N 0 0 164.208 1.259 10 0 ADAERN C[C@@H]1CN(C(=O)n2ccnc2)C[C@H]1C 85696673 573114806 /nfs/dbraw/zinc/11/48/06/573114806.db2.gz CIOSPRCYQRWFBT-RKDXNWHRSA-N 0 0 193.250 1.439 10 0 ADAERN O=CC1=NO[C@@H](C2CCC2)C1 258530347 573114817 /nfs/dbraw/zinc/11/48/17/573114817.db2.gz NGCNPUFAYGBFSR-MRVPVSSYSA-N 0 0 153.181 1.130 10 0 ADAERN CCOc1ccc(N)c(SC)n1 238286248 573114843 /nfs/dbraw/zinc/11/48/43/573114843.db2.gz ALAAKONAZPWGAK-UHFFFAOYSA-N 0 0 184.264 1.784 10 0 ADAERN C=Cc1ccc2c(c1)NC(=O)CO2 142089599 573114845 /nfs/dbraw/zinc/11/48/45/573114845.db2.gz NQCVAVFZILAFPA-UHFFFAOYSA-N 0 0 175.187 1.661 10 0 ADAERN CCOc1ccc([C@H]2CNC2=O)cc1 238285167 573114850 /nfs/dbraw/zinc/11/48/50/573114850.db2.gz BAHHKMXOCWFIFJ-SNVBAGLBSA-N 0 0 191.230 1.299 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](CC1=CCCC1)NN 689917243 573114851 /nfs/dbraw/zinc/11/48/51/573114851.db2.gz JKENSIHIFASMTQ-OUAUKWLOSA-N 0 0 196.294 1.354 10 0 ADAERN Cc1ccc(C2(O)CCC2)o1 257943964 573115276 /nfs/dbraw/zinc/11/52/76/573115276.db2.gz IEYMHSVYPWERKZ-UHFFFAOYSA-N 0 0 152.193 1.960 10 0 ADAERN NOCCc1cccc2cnccc12 257953948 573115284 /nfs/dbraw/zinc/11/52/84/573115284.db2.gz BFSDGDUPPDVQCR-UHFFFAOYSA-N 0 0 188.230 1.668 10 0 ADAERN O=Cc1nc(C2CCCCC2)no1 82583217 573115283 /nfs/dbraw/zinc/11/52/83/573115283.db2.gz HAIKMKBGDRHCSH-UHFFFAOYSA-N 0 0 180.207 1.930 10 0 ADAERN CCc1ccc2c(c1)[C@H](O)[C@@H](O)C=C2 238287611 573115300 /nfs/dbraw/zinc/11/53/00/573115300.db2.gz HMKHDVVYGTWROY-RYUDHWBXSA-N 0 0 190.242 1.670 10 0 ADAERN CCOC(=O)N[C@H]1CCC[C@@H]2C[C@H]12 238287075 573115308 /nfs/dbraw/zinc/11/53/08/573115308.db2.gz LEEZADRDQQDAOO-VGMNWLOBSA-N 0 0 183.251 1.921 10 0 ADAERN CCc1ccc2c(c1O)OCCC2=O 238287273 573115346 /nfs/dbraw/zinc/11/53/46/573115346.db2.gz BBDSOSUXZUYKCR-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN COC[C@@H](CO)c1ccco1 258232865 573115349 /nfs/dbraw/zinc/11/53/49/573115349.db2.gz RNKMCNTXYVMMKH-SSDOTTSWSA-N 0 0 156.181 1.002 10 0 ADAERN CCS[C@@H](C)NC(=O)OC 238288118 573115356 /nfs/dbraw/zinc/11/53/56/573115356.db2.gz ANNFFPWEUIDNOP-YFKPBYRVSA-N 0 0 163.242 1.442 10 0 ADAERN CCc1ccc2c(c1)[C@H](O)[C@H](O)C=C2 238287563 573115389 /nfs/dbraw/zinc/11/53/89/573115389.db2.gz HMKHDVVYGTWROY-NEPJUHHUSA-N 0 0 190.242 1.670 10 0 ADAERN C[C@H](O)/C=C/S/C=C/[C@@H](C)O 143994648 573115396 /nfs/dbraw/zinc/11/53/96/573115396.db2.gz LHWAUUWPKFTTMR-ADZYQTKWSA-N 0 0 174.265 1.509 10 0 ADAERN Cn1cc2c(Cl)cc(N)cc2n1 259331035 573115417 /nfs/dbraw/zinc/11/54/17/573115417.db2.gz GNYRVGKNPIZYLI-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN O=C1Cc2ccccc2[C@H]1F 144064769 573115439 /nfs/dbraw/zinc/11/54/39/573115439.db2.gz JQECISQWSKJZOS-SECBINFHSA-N 0 0 150.152 1.822 10 0 ADAERN C[C@@H](CO)CNc1nccs1 88389739 573115464 /nfs/dbraw/zinc/11/54/64/573115464.db2.gz BSCMHGOPZAGEIK-ZCFIWIBFSA-N 0 0 172.253 1.183 10 0 ADAERN Cn1c(CO)nc2c(F)cccc21 82583325 573115476 /nfs/dbraw/zinc/11/54/76/573115476.db2.gz YCOAJTWXYFCKOX-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN OC[C@@]12CCC[C@@H](CC1)C2 197082670 573115478 /nfs/dbraw/zinc/11/54/78/573115478.db2.gz IGARCCRFOGSEKK-IUCAKERBSA-N 0 0 140.226 1.949 10 0 ADAERN CC(=O)[C@@]1(C)O[C@@H](C)CCS1 144074934 573115487 /nfs/dbraw/zinc/11/54/87/573115487.db2.gz GPHUKMPDWDTHRH-XPUUQOCRSA-N 0 0 174.265 1.834 10 0 ADAERN Oc1cccc2c1NC[C@@H]1C[C@H]21 258530851 573115490 /nfs/dbraw/zinc/11/54/90/573115490.db2.gz NJDZVWSMYWEXCN-XPUUQOCRSA-N 0 0 161.204 1.921 10 0 ADAERN C[NH2+][C@H](Cc1sccc1C)C(=O)[O-] 259331361 573115515 /nfs/dbraw/zinc/11/55/15/573115515.db2.gz LFCKACMXKHLWTK-SSDOTTSWSA-N 0 0 199.275 1.272 10 0 ADAERN COc1ccc2c(n1)C(=O)CCC2 114747793 573115542 /nfs/dbraw/zinc/11/55/42/573115542.db2.gz OJGGAQXSDYAKRV-UHFFFAOYSA-N 0 0 177.203 1.609 10 0 ADAERN CC1CCC(c2noc(CO)n2)CC1 82583384 573115566 /nfs/dbraw/zinc/11/55/66/573115566.db2.gz YJDJQDOHMKZTEO-UHFFFAOYSA-N 0 0 196.250 1.856 10 0 ADAERN CSC[C@@H]1CCNCC1(F)F 257944683 573115606 /nfs/dbraw/zinc/11/56/06/573115606.db2.gz VNAPNCUGLRWHRC-LURJTMIESA-N 0 0 181.251 1.594 10 0 ADAERN Cc1ccc(C(=O)c2ncc[nH]2)cn1 88300860 573115643 /nfs/dbraw/zinc/11/56/43/573115643.db2.gz WKQORCJMNAUBBX-UHFFFAOYSA-N 0 0 187.202 1.344 10 0 ADAERN CC1(C)CO[C@H](C[C@H]2CCCO2)[NH2+]1 258479729 573115653 /nfs/dbraw/zinc/11/56/53/573115653.db2.gz LGSJPCYGXPDNQF-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN CC1(C)CO[C@@H](C[C@@H]2CCCO2)[NH2+]1 258479726 573115682 /nfs/dbraw/zinc/11/56/82/573115682.db2.gz LGSJPCYGXPDNQF-IUCAKERBSA-N 0 0 185.267 1.280 10 0 ADAERN CCOc1ccc2c(c1)S[C@@H](N)N2 238287577 573115741 /nfs/dbraw/zinc/11/57/41/573115741.db2.gz WVDMFNHWSFMXCY-VIFPVBQESA-N 0 0 196.275 1.845 10 0 ADAERN Cc1nc([C@@H](C)NN)c(C)s1 82589402 573115747 /nfs/dbraw/zinc/11/57/47/573115747.db2.gz RILUTJDEUJMXCU-SCSAIBSYSA-N 0 0 171.269 1.284 10 0 ADAERN CCCOC(F)(F)C(=O)OCC 85680810 573115750 /nfs/dbraw/zinc/11/57/50/573115750.db2.gz ZFKDZZKKRPFLCZ-UHFFFAOYSA-N 0 0 182.166 1.569 10 0 ADAERN c1cncc(Oc2ncco2)c1 257944895 573115768 /nfs/dbraw/zinc/11/57/68/573115768.db2.gz WAUNIGRTGRVQKL-UHFFFAOYSA-N 0 0 162.148 1.862 10 0 ADAERN CC(C)(O)C(C)(F)F 142061383 573115782 /nfs/dbraw/zinc/11/57/82/573115782.db2.gz TXXIGCNCXFCJIR-UHFFFAOYSA-N 0 0 124.130 1.413 10 0 ADAERN CC(C)Cc1noc(C=O)n1 82583215 573115792 /nfs/dbraw/zinc/11/57/92/573115792.db2.gz GOOKOPFDJJPGQE-UHFFFAOYSA-N 0 0 154.169 1.081 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1cnn(C)c1 88330608 573115801 /nfs/dbraw/zinc/11/58/01/573115801.db2.gz WKWDVVJLTSDFFR-BWVDBABLSA-N 0 0 166.224 1.110 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](CC1=CCCC1)NN 689917234 573115808 /nfs/dbraw/zinc/11/58/08/573115808.db2.gz JKENSIHIFASMTQ-HBNTYKKESA-N 0 0 196.294 1.354 10 0 ADAERN CCCc1cccc2nc[nH]c(=O)c12 238287353 573115812 /nfs/dbraw/zinc/11/58/12/573115812.db2.gz DAOIWNPNYMSAEO-UHFFFAOYSA-N 0 0 188.230 1.876 10 0 ADAERN C[C@@H](OC(=O)C1CC(=O)C1)C(F)F 308266773 573115839 /nfs/dbraw/zinc/11/58/39/573115839.db2.gz QDLBAUJGBCJYBT-SCSAIBSYSA-N 0 0 192.161 1.162 10 0 ADAERN CC[C@H](C)O[C@H]1OCCC[C@@H]1O 238287620 573118689 /nfs/dbraw/zinc/11/86/89/573118689.db2.gz QVKITORABJRWCY-XHNCKOQMSA-N 0 0 174.240 1.299 10 0 ADAERN O=C(c1ccsc1)c1ncc[nH]1 88300853 573115857 /nfs/dbraw/zinc/11/58/57/573115857.db2.gz APPNLFIMMYQDEC-UHFFFAOYSA-N 0 0 178.216 1.702 10 0 ADAERN COC(=O)N[C@](C)(CO)CC(C)C 308267593 573115858 /nfs/dbraw/zinc/11/58/58/573115858.db2.gz QGDHSNUMEQVFPL-VIFPVBQESA-N 0 0 189.255 1.140 10 0 ADAERN CCOC(=O)N[C@H]1[C@H]2CC=C[C@H]21 238287345 573115903 /nfs/dbraw/zinc/11/59/03/573115903.db2.gz MZLOAVSUYBMNEZ-GJMOJQLCSA-N 0 0 167.208 1.307 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](CC1=CCCC1)NN 689917220 573115906 /nfs/dbraw/zinc/11/59/06/573115906.db2.gz JKENSIHIFASMTQ-GMTAPVOTSA-N 0 0 196.294 1.354 10 0 ADAERN CC[C@H](C)O[C@@H]1OCCC[C@@H]1O 238287233 573115912 /nfs/dbraw/zinc/11/59/12/573115912.db2.gz QVKITORABJRWCY-CIUDSAMLSA-N 0 0 174.240 1.299 10 0 ADAERN OCc1nc(Cc2cccs2)no1 82583358 573115915 /nfs/dbraw/zinc/11/59/15/573115915.db2.gz SZZPUPQQQZKSHL-UHFFFAOYSA-N 0 0 196.231 1.214 10 0 ADAERN CC[C@@H](F)c1cc(=O)[nH]cn1 143990868 573115921 /nfs/dbraw/zinc/11/59/21/573115921.db2.gz JRQJSORSOGECQE-RXMQYKEDSA-N 0 0 156.160 1.191 10 0 ADAERN C[NH2+]Cc1cnoc1C1CCC1 642827397 573115934 /nfs/dbraw/zinc/11/59/34/573115934.db2.gz BXDYMNDXJFQBSI-UHFFFAOYSA-N 0 0 165.216 1.079 10 0 ADAERN OC[C@@H]1COC[C@@H](c2ccccc2)O1 142075198 573115939 /nfs/dbraw/zinc/11/59/39/573115939.db2.gz KSJGCSUSPHFQKQ-MNOVXSKESA-N 0 0 194.230 1.135 10 0 ADAERN C[C@H](O)/C=C/S/C=C/[C@H](C)O 143994861 573115952 /nfs/dbraw/zinc/11/59/52/573115952.db2.gz LHWAUUWPKFTTMR-CMXGPMEASA-N 0 0 174.265 1.509 10 0 ADAERN CC[C@H](C)[C@@H](C)OC(N)=O 104644669 573115959 /nfs/dbraw/zinc/11/59/59/573115959.db2.gz SXDMZRYCPGSWPW-NTSWFWBYSA-N 0 0 145.202 1.516 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])[C@H]1CCC=C[C@H]1C 308273596 573115965 /nfs/dbraw/zinc/11/59/65/573115965.db2.gz IIUHXZFOYSZRDO-KXUCPTDWSA-N 0 0 197.278 1.651 10 0 ADAERN CC(C)(C)SC(N)=O 104644685 573115980 /nfs/dbraw/zinc/11/59/80/573115980.db2.gz QMQMVUFZCUPTKL-UHFFFAOYSA-N 0 0 133.216 1.597 10 0 ADAERN NNSC1CCCC1 259331276 573115983 /nfs/dbraw/zinc/11/59/83/573115983.db2.gz XBNPGQMJDPKEPD-UHFFFAOYSA-N 0 0 132.232 1.041 10 0 ADAERN OCCc1nncc2ccccc12 142053686 573115993 /nfs/dbraw/zinc/11/59/93/573115993.db2.gz FBOLPJATRCTWND-UHFFFAOYSA-N 0 0 174.203 1.165 10 0 ADAERN CCOc1n[nH]c(Cl)c2ncnc1-2 142035307 573117395 /nfs/dbraw/zinc/11/73/95/573117395.db2.gz AQTSIDTYGCGWAI-UHFFFAOYSA-N 0 0 198.613 1.405 10 0 ADAERN CC1=C/C(=C/Br)OC1=O 142082954 573116054 /nfs/dbraw/zinc/11/60/54/573116054.db2.gz BMQDCNGCNRZQEL-HYXAFXHYSA-N 0 0 189.008 1.726 10 0 ADAERN COC[C@H](C)OC(=O)C[C@@H]1C[C@H]1C 308267541 573116062 /nfs/dbraw/zinc/11/60/62/573116062.db2.gz QFPQOMOYWKCVBQ-VGMNWLOBSA-N 0 0 186.251 1.611 10 0 ADAERN CC1(C)CCC=N[C@H]1N 104646534 573116069 /nfs/dbraw/zinc/11/60/69/573116069.db2.gz XRLUWMAMQMLKIK-ZCFIWIBFSA-N 0 0 126.203 1.162 10 0 ADAERN [NH3+]CSC1CCCCC1 104643847 573116085 /nfs/dbraw/zinc/11/60/85/573116085.db2.gz UDPGJUTVYBKZBR-UHFFFAOYSA-N 0 0 145.271 1.969 10 0 ADAERN Cc1csc2cncn12 143982743 573116088 /nfs/dbraw/zinc/11/60/88/573116088.db2.gz VSYDUUPRFKVTJS-UHFFFAOYSA-N 0 0 138.195 1.704 10 0 ADAERN O=Cc1nc(-c2ccsc2)no1 82583240 573116118 /nfs/dbraw/zinc/11/61/18/573116118.db2.gz JWZDPAXYEIJGEZ-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN OCC(CO)c1ccc(Cl)o1 257954000 573116124 /nfs/dbraw/zinc/11/61/24/573116124.db2.gz ARZGOWIIOUGUOC-UHFFFAOYSA-N 0 0 176.599 1.001 10 0 ADAERN C[C@@H]1CC[C@@H](C)C1C(N)=O 104647333 573116135 /nfs/dbraw/zinc/11/61/35/573116135.db2.gz GVTCHQNUYUHLRV-PHDIDXHHSA-N 0 0 141.214 1.154 10 0 ADAERN OC[C@@H]1COC[C@H](c2ccccc2)O1 142075398 573116139 /nfs/dbraw/zinc/11/61/39/573116139.db2.gz KSJGCSUSPHFQKQ-GHMZBOCLSA-N 0 0 194.230 1.135 10 0 ADAERN CCC[C@H](CC(=O)[O-])[N@@H+]1CC[C@@H]1C 128733158 573116166 /nfs/dbraw/zinc/11/61/66/573116166.db2.gz NECSWWZZEZVLBU-DTWKUNHWSA-N 0 0 185.267 1.724 10 0 ADAERN CC[C@H]1CC(C)(C)NC(=S)N1 238288167 573116180 /nfs/dbraw/zinc/11/61/80/573116180.db2.gz QYWPHWVRFCXLQB-LURJTMIESA-N 0 0 172.297 1.411 10 0 ADAERN COc1cnc(N)c2ccccc12 142044398 573116195 /nfs/dbraw/zinc/11/61/95/573116195.db2.gz HXZWHNCJLQFSNL-UHFFFAOYSA-N 0 0 174.203 1.826 10 0 ADAERN Cc1cccnc1-c1noc(C=O)n1 82583288 573116211 /nfs/dbraw/zinc/11/62/11/573116211.db2.gz CSPRICJHYCLRPT-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN CCOC[C@@H]1[C@H]2CCC(=O)[C@H]21 144013438 573116219 /nfs/dbraw/zinc/11/62/19/573116219.db2.gz UDRXLGMNGDZYJH-ZXFLCMHBSA-N 0 0 154.209 1.248 10 0 ADAERN CC[C@H]1CC(=O)NCC(C)(C)C1 238287519 573116231 /nfs/dbraw/zinc/11/62/31/573116231.db2.gz YSFDFTPCFBKRFI-QMMMGPOBSA-N 0 0 169.268 1.949 10 0 ADAERN S=c1nc2cccccc-2[nH]1 142084068 573116264 /nfs/dbraw/zinc/11/62/64/573116264.db2.gz OMZDHZMTBMQDGB-UHFFFAOYSA-N 0 0 162.217 1.870 10 0 ADAERN [NH3+]Cc1cncc(OC2CCCC2)n1 85694788 573116241 /nfs/dbraw/zinc/11/62/41/573116241.db2.gz IDOMZWQZTKFRNL-UHFFFAOYSA-N 0 0 193.250 1.257 10 0 ADAERN Cc1ccc(C(=O)CN)cc1N(C)C 259330784 573116242 /nfs/dbraw/zinc/11/62/42/573116242.db2.gz FEKSCXDIMJFUHL-UHFFFAOYSA-N 0 0 192.262 1.202 10 0 ADAERN CN1CCO[C@@]1(C)c1ccccc1 73257820 573116245 /nfs/dbraw/zinc/11/62/45/573116245.db2.gz NMOZPNPFZGQJDM-NSHDSACASA-N 0 0 177.247 1.821 10 0 ADAERN CCOc1ccc2c(c1)S[C@H](N)N2 238287557 573116252 /nfs/dbraw/zinc/11/62/52/573116252.db2.gz WVDMFNHWSFMXCY-SECBINFHSA-N 0 0 196.275 1.845 10 0 ADAERN O=C1OCC[C@H]1Nc1ccccc1 144073115 573116305 /nfs/dbraw/zinc/11/63/05/573116305.db2.gz MHAKUEQWKCWLJY-SECBINFHSA-N 0 0 177.203 1.414 10 0 ADAERN CSc1c[nH+][n-]c2ncnc1-2 142038274 573116307 /nfs/dbraw/zinc/11/63/07/573116307.db2.gz OUEXXALANDTHGX-UHFFFAOYSA-N 0 0 166.209 1.075 10 0 ADAERN Cc1cc(C[C@H](C)O)c(F)cc1O 257953917 573116339 /nfs/dbraw/zinc/11/63/39/573116339.db2.gz BEZLSCHCAJDWTN-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN O[C@@H]1c2ccccc2C2=NCCCN21 144031355 573116348 /nfs/dbraw/zinc/11/63/48/573116348.db2.gz IKSJTAVYFKGGNQ-LLVKDONJSA-N 0 0 188.230 1.143 10 0 ADAERN O=c1[nH]c(=S)c2ccc(F)cc2o1 142041289 573116349 /nfs/dbraw/zinc/11/63/49/573116349.db2.gz BDKTTXKXTKBESI-UHFFFAOYSA-N 0 0 197.190 1.990 10 0 ADAERN OCc1nc(-c2ccccc2F)no1 82583357 573116352 /nfs/dbraw/zinc/11/63/52/573116352.db2.gz QGOCCMYPJZPZMI-UHFFFAOYSA-N 0 0 194.165 1.368 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1nccn1C 88362414 573116370 /nfs/dbraw/zinc/11/63/70/573116370.db2.gz UWXGXBSHNIWKGL-RNFRBKRXSA-N 0 0 164.208 1.259 10 0 ADAERN CC(C)(C)OC(=O)[C@H](N)CC(F)F 123671424 573123693 /nfs/dbraw/zinc/12/36/93/573123693.db2.gz FDTUCYWUSSJLKX-RXMQYKEDSA-N 0 0 195.209 1.311 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)O[C@H]1CC(C)C 238287453 573116383 /nfs/dbraw/zinc/11/63/83/573116383.db2.gz KPZTXWGILMALQT-YUMQZZPRSA-N 0 0 199.250 1.694 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H]2C=CC[C@@H]21 114766159 573116401 /nfs/dbraw/zinc/11/64/01/573116401.db2.gz XLSCPLRDKVAUNP-KXUCPTDWSA-N 0 0 165.236 1.477 10 0 ADAERN OCCc1coc2cccc(O)c12 257944638 573116423 /nfs/dbraw/zinc/11/64/23/573116423.db2.gz RHCVDQLLZNCDMD-UHFFFAOYSA-N 0 0 178.187 1.673 10 0 ADAERN CN(CC1CC1)C(=O)n1ccnc1 88329890 573116428 /nfs/dbraw/zinc/11/64/28/573116428.db2.gz FUISPHRHEUNKEO-UHFFFAOYSA-N 0 0 179.223 1.193 10 0 ADAERN Cc1nc2nc(N(C)C)nc(C)c2[nH]1 238288177 573116437 /nfs/dbraw/zinc/11/64/37/573116437.db2.gz SGJNTZIKCDXRDU-UHFFFAOYSA-N 0 0 191.238 1.036 10 0 ADAERN CCOc1ccc2[nH]c(=O)oc2c1 238288404 573116460 /nfs/dbraw/zinc/11/64/60/573116460.db2.gz XLWSEBNBKPFXNO-UHFFFAOYSA-N 0 0 179.175 1.520 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1nccn1C 88362416 573116466 /nfs/dbraw/zinc/11/64/66/573116466.db2.gz UWXGXBSHNIWKGL-NKWVEPMBSA-N 0 0 164.208 1.259 10 0 ADAERN C[C@H]1C[NH2+]C[C@H](C2(C)CCC2)O1 686131100 573116472 /nfs/dbraw/zinc/11/64/72/573116472.db2.gz OTZMRJMLWXIAMQ-DTWKUNHWSA-N 0 0 169.268 1.554 10 0 ADAERN CCN1C(=O)Cc2c(F)cccc21 257944320 573116486 /nfs/dbraw/zinc/11/64/86/573116486.db2.gz DSNZVMLRFXEKQN-UHFFFAOYSA-N 0 0 179.194 1.735 10 0 ADAERN Nc1nc(-c2ccccc2N)co1 257944413 573116499 /nfs/dbraw/zinc/11/64/99/573116499.db2.gz VKVJDONFKSSXKU-UHFFFAOYSA-N 0 0 175.191 1.506 10 0 ADAERN CCc1ccc2c(c1)N[C@H](CO)CC2 238288241 573116502 /nfs/dbraw/zinc/11/65/02/573116502.db2.gz ADQBIIYCUOZMEM-NSHDSACASA-N 0 0 191.274 1.968 10 0 ADAERN CC(C)[C@@H](O)CC(=O)N(C)C(C)C 308267182 573116511 /nfs/dbraw/zinc/11/65/11/573116511.db2.gz QFUWMIKYJXZQJB-VIFPVBQESA-N 0 0 187.283 1.260 10 0 ADAERN Nc1cc(-c2c[nH]nc2N)ccc1F 259330940 573116531 /nfs/dbraw/zinc/11/65/31/573116531.db2.gz GNCTWZFCWKUNQN-UHFFFAOYSA-N 0 0 192.197 1.380 10 0 ADAERN C1CCC2(CC1)CN=NC2 142077191 573116537 /nfs/dbraw/zinc/11/65/37/573116537.db2.gz RXAHFEXBSCEXMF-UHFFFAOYSA-N 0 0 138.214 1.526 10 0 ADAERN CC[C@H]1[C@H](CC(=O)[O-])CCCC[N@@H+]1C 238287534 573116542 /nfs/dbraw/zinc/11/65/42/573116542.db2.gz MQBVIUFHUHXLLT-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1c(F)cc(O)cc1F 114766368 573116566 /nfs/dbraw/zinc/11/65/66/573116566.db2.gz NHXUPFDHSBROJF-UHFFFAOYSA-N 0 0 144.120 1.979 10 0 ADAERN CSC[C@@H](CO)c1ccco1 258232853 573116572 /nfs/dbraw/zinc/11/65/72/573116572.db2.gz RNFXSJRORPACCA-SSDOTTSWSA-N 0 0 172.249 1.719 10 0 ADAERN CC(=O)Oc1ccc2c(c1)OCC2=O 143988336 573116584 /nfs/dbraw/zinc/11/65/84/573116584.db2.gz VIAJUWDACPDKBT-UHFFFAOYSA-N 0 0 192.170 1.187 10 0 ADAERN O=C1CCC[C@H]2CCC[C@]1(O)C2 197082818 573116586 /nfs/dbraw/zinc/11/65/86/573116586.db2.gz BKTYVLLHJBCJLM-WPRPVWTQSA-N 0 0 168.236 1.661 10 0 ADAERN O=C1CCC(O)(c2ccncc2)CC1 142070063 573116592 /nfs/dbraw/zinc/11/65/92/573116592.db2.gz SIGZRTPVVMTRTD-UHFFFAOYSA-N 0 0 191.230 1.412 10 0 ADAERN C[C@@H](OC(=O)c1cocn1)C(F)F 308273764 573116615 /nfs/dbraw/zinc/11/66/15/573116615.db2.gz UEPXTLKYLCKCFJ-SCSAIBSYSA-N 0 0 191.133 1.485 10 0 ADAERN c1nc(OCC2CC2)c2nc[nH]c2n1 142070034 573116624 /nfs/dbraw/zinc/11/66/24/573116624.db2.gz FBECCZYXHYHVQH-UHFFFAOYSA-N 0 0 190.206 1.142 10 0 ADAERN CCOc1ccc2[nH]c(=O)cnc2c1 238288365 573116642 /nfs/dbraw/zinc/11/66/42/573116642.db2.gz VQXWCTXWWMXZEN-UHFFFAOYSA-N 0 0 190.202 1.322 10 0 ADAERN Cn1nc(N)cc1C[NH2+]C1CCCC1 257944255 573116645 /nfs/dbraw/zinc/11/66/45/573116645.db2.gz RGGKSUUXTDTSDU-UHFFFAOYSA-N 0 0 194.282 1.035 10 0 ADAERN COC(=O)[C@@]1(c2cncs2)C[C@@H]1C 259601051 573116692 /nfs/dbraw/zinc/11/66/92/573116692.db2.gz MBLMARXNWDXTNU-RCOVLWMOSA-N 0 0 197.259 1.594 10 0 ADAERN COC[C@H](C)OC(=O)C[C@H]1C[C@@H]1C 308267546 573116697 /nfs/dbraw/zinc/11/66/97/573116697.db2.gz QFPQOMOYWKCVBQ-XHNCKOQMSA-N 0 0 186.251 1.611 10 0 ADAERN CC1(C)CCC=N[C@@H]1N 104646528 573116699 /nfs/dbraw/zinc/11/66/99/573116699.db2.gz XRLUWMAMQMLKIK-LURJTMIESA-N 0 0 126.203 1.162 10 0 ADAERN CCc1ccc2c(c1)COCC2=O 238287437 573116705 /nfs/dbraw/zinc/11/67/05/573116705.db2.gz URDOMDGWQMPCIU-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN CC[C@H](C)[C@H](C)OC(N)=O 104644675 573116718 /nfs/dbraw/zinc/11/67/18/573116718.db2.gz SXDMZRYCPGSWPW-WDSKDSINSA-N 0 0 145.202 1.516 10 0 ADAERN C[C@H]1CN(C(=O)n2ccnc2)C[C@@H]1C 85696672 573116724 /nfs/dbraw/zinc/11/67/24/573116724.db2.gz CIOSPRCYQRWFBT-IUCAKERBSA-N 0 0 193.250 1.439 10 0 ADAERN CCC[C@H](Cn1cnc(CO)c1)OC 393493400 573116764 /nfs/dbraw/zinc/11/67/64/573116764.db2.gz QKTGXGOFFVDVEH-SNVBAGLBSA-N 0 0 198.266 1.191 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H](C)C[C@@H]1O 114785275 573116775 /nfs/dbraw/zinc/11/67/75/573116775.db2.gz VISJALGWOBQNEJ-YEPSODPASA-N 0 0 156.225 1.373 10 0 ADAERN COC(=O)[C@H]1[C@H](C)C12CCCC2 259601056 573116781 /nfs/dbraw/zinc/11/67/81/573116781.db2.gz MBSJBBLJXBABHF-JGVFFNPUSA-N 0 0 168.236 1.986 10 0 ADAERN CC[C@@]1(C)CC(=O)Nc2n[nH]c(C)c21 238288229 573116794 /nfs/dbraw/zinc/11/67/94/573116794.db2.gz MXAYKQMBBDJSFX-JTQLQIEISA-N 0 0 193.250 1.728 10 0 ADAERN Cc1nc([C@H](C)NN)c(C)s1 82589403 573116813 /nfs/dbraw/zinc/11/68/13/573116813.db2.gz RILUTJDEUJMXCU-BYPYZUCNSA-N 0 0 171.269 1.284 10 0 ADAERN C[NH+]1CC(c2ccc(CCO)cc2)C1 257953969 573116817 /nfs/dbraw/zinc/11/68/17/573116817.db2.gz BGDOUQJMLLONGO-UHFFFAOYSA-N 0 0 191.274 1.250 10 0 ADAERN Cc1ncnc2[nH]c(Cl)nc12 142031980 573116837 /nfs/dbraw/zinc/11/68/37/573116837.db2.gz JYPOBBMXYVPCSM-UHFFFAOYSA-N 0 0 168.587 1.315 10 0 ADAERN CCOC(=O)Nc1cc(N)ccc1O 238288379 573116848 /nfs/dbraw/zinc/11/68/48/573116848.db2.gz ZWZMXXQCFSTBOD-UHFFFAOYSA-N 0 0 196.206 1.543 10 0 ADAERN CC[C@@H]1C(=O)NN[C@@H]1[C@]1(C)CC1(C)C 717145496 573116866 /nfs/dbraw/zinc/11/68/66/573116866.db2.gz DPUCFBBQKCQMRU-LAEOZQHASA-N 0 0 196.294 1.452 10 0 ADAERN CC1=CC(=O)Nc2cccnc2N1 142029752 573116882 /nfs/dbraw/zinc/11/68/82/573116882.db2.gz ZGPFHQRIZJGDTG-UHFFFAOYSA-N 0 0 175.191 1.349 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+]1CC(CC)C1 128729172 573116884 /nfs/dbraw/zinc/11/68/84/573116884.db2.gz AEXWPJYJLASANC-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)(C)Oc1cncc(CO)n1 85695633 573116902 /nfs/dbraw/zinc/11/69/02/573116902.db2.gz GVCOGSSMJXZPTO-UHFFFAOYSA-N 0 0 182.223 1.146 10 0 ADAERN CC1(C)CO[C@](C)(c2ccco2)N1 258529212 573116908 /nfs/dbraw/zinc/11/69/08/573116908.db2.gz NOHJUHUTVPKDAB-SNVBAGLBSA-N 0 0 181.235 1.851 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1nccn1C 88362412 573116919 /nfs/dbraw/zinc/11/69/19/573116919.db2.gz UWXGXBSHNIWKGL-BQBZGAKWSA-N 0 0 164.208 1.259 10 0 ADAERN CC[C@H]1CC(=O)[C@H](CC)CC1=O 238287825 573116943 /nfs/dbraw/zinc/11/69/43/573116943.db2.gz DYOBJULDPFIPIT-OCAPTIKFSA-N 0 0 168.236 1.971 10 0 ADAERN CC[C@@H]1C(=O)N[C@H]1C=C(C)C 238287298 573116959 /nfs/dbraw/zinc/11/69/59/573116959.db2.gz MNYUGHCCMDUHGE-YUMQZZPRSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@H](NC[C@@H](O)C1CC1)C(F)(F)F 308267222 573116980 /nfs/dbraw/zinc/11/69/80/573116980.db2.gz QGMFADVRBUBVFB-CAHLUQPWSA-N 0 0 197.200 1.298 10 0 ADAERN CC(=O)N[C@@H]1CC[C@@H]2C=CC[C@@H]21 114766153 573116994 /nfs/dbraw/zinc/11/69/94/573116994.db2.gz XLSCPLRDKVAUNP-LPEHRKFASA-N 0 0 165.236 1.477 10 0 ADAERN C[C@@H]1CCCN1C(=O)n1ccnc1 85696676 573117663 /nfs/dbraw/zinc/11/76/63/573117663.db2.gz ZYLBZCDAWADTKU-MRVPVSSYSA-N 0 0 179.223 1.336 10 0 ADAERN CC[C@@H]1C(C(C)=O)=NO[C@H]1C 238287138 573117002 /nfs/dbraw/zinc/11/70/02/573117002.db2.gz YTJLWOGVUQGUQE-BQBZGAKWSA-N 0 0 155.197 1.376 10 0 ADAERN CC(=O)[C@H]1CC[C@H](C)C[C@@H]1O 114785274 573117003 /nfs/dbraw/zinc/11/70/03/573117003.db2.gz VISJALGWOBQNEJ-ZQARSLAVSA-N 0 0 156.225 1.373 10 0 ADAERN Nc1cnc(-c2ccc(F)cn2)cn1 114768685 573117011 /nfs/dbraw/zinc/11/70/11/573117011.db2.gz YMIJCOZRZBOGFS-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN C[C@H](O)[C@@H]1OC(=O)c2ccccc21 142044089 573117036 /nfs/dbraw/zinc/11/70/36/573117036.db2.gz DGVATGXQLLEFQV-RCOVLWMOSA-N 0 0 178.187 1.279 10 0 ADAERN CC1(C)CO[C@@H](C[C@H]2CCCO2)[NH2+]1 258479714 573117633 /nfs/dbraw/zinc/11/76/33/573117633.db2.gz LGSJPCYGXPDNQF-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN C[C@H]1CC[C@@H](C(N)=O)[C@H]1C 104647324 573117042 /nfs/dbraw/zinc/11/70/42/573117042.db2.gz KNTKPYACFQBXRT-LYFYHCNISA-N 0 0 141.214 1.154 10 0 ADAERN CCn1c(CCO)cnc1Cl 258530886 573117052 /nfs/dbraw/zinc/11/70/52/573117052.db2.gz MOBGADXEGBNJJG-UHFFFAOYSA-N 0 0 174.631 1.091 10 0 ADAERN CC[C@@H]1[NH2+]CCc2n[nH]c(C)c21 238287640 573117056 /nfs/dbraw/zinc/11/70/56/573117056.db2.gz QTKXVRLQSHMGKF-ZETCQYMHSA-N 0 0 165.240 1.315 10 0 ADAERN CC(C)[NH2+]Cc1cncc(N(C)C)n1 85693794 573117061 /nfs/dbraw/zinc/11/70/61/573117061.db2.gz ZGOCJRCIBAYDAC-UHFFFAOYSA-N 0 0 194.282 1.041 10 0 ADAERN CC[S@](=O)Cc1ncoc1C1CC1 308266447 573117635 /nfs/dbraw/zinc/11/76/35/573117635.db2.gz PUGLVXTWUQVESL-ZDUSSCGKSA-N 0 0 199.275 1.821 10 0 ADAERN CC(C)(C)[C@@]1(C)CNC(=O)N1 258530040 573117074 /nfs/dbraw/zinc/11/70/74/573117074.db2.gz NFNJFNLPNXSRIT-MRVPVSSYSA-N 0 0 156.229 1.104 10 0 ADAERN C[C@H]1C[NH2+]C[C@@H](C2(C)CCC2)O1 686131101 573117082 /nfs/dbraw/zinc/11/70/82/573117082.db2.gz OTZMRJMLWXIAMQ-IUCAKERBSA-N 0 0 169.268 1.554 10 0 ADAERN COC(=O)[C@@H]1[C@H](C)C12CCCC2 259601063 573117096 /nfs/dbraw/zinc/11/70/96/573117096.db2.gz MBSJBBLJXBABHF-YUMQZZPRSA-N 0 0 168.236 1.986 10 0 ADAERN CCc1nn(C)c(C)c1C=O 238288541 573117130 /nfs/dbraw/zinc/11/71/30/573117130.db2.gz UMWIDIAOIAOONS-UHFFFAOYSA-N 0 0 152.197 1.103 10 0 ADAERN [NH3+][C@H](/C=C/Cc1ccccc1)C(=O)[O-] 308267788 573117133 /nfs/dbraw/zinc/11/71/33/573117133.db2.gz LIVPMSVYYYOIPV-VMKBVTSJSA-N 0 0 191.230 1.197 10 0 ADAERN COC(=O)[C@@]1(c2cncs2)C[C@H]1C 259601048 573117140 /nfs/dbraw/zinc/11/71/40/573117140.db2.gz MBLMARXNWDXTNU-MUWHJKNJSA-N 0 0 197.259 1.594 10 0 ADAERN Cc1ccccc1[C@](C)([NH3+])CC(=O)[O-] 77277728 573117167 /nfs/dbraw/zinc/11/71/67/573117167.db2.gz IUDUCCSVXMDVCG-LLVKDONJSA-N 0 0 193.246 1.644 10 0 ADAERN C[C@@H](O)CSC(C)(C)C 88282635 573117173 /nfs/dbraw/zinc/11/71/73/573117173.db2.gz HWYKYZULWIPMGP-ZCFIWIBFSA-N 0 0 148.271 1.899 10 0 ADAERN C[C@H](OC(=O)[C@@H](C)O)C1CCCC1 308273773 573117220 /nfs/dbraw/zinc/11/72/20/573117220.db2.gz UFABFSBYSNWNLX-SFYZADRCSA-N 0 0 186.251 1.489 10 0 ADAERN CCC[C@H](C[NH2+]C1CCC1)C(=O)[O-] 258232859 573117244 /nfs/dbraw/zinc/11/72/44/573117244.db2.gz RNIZNKYRMKHZPE-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN CC[C@H](C)O[C@@H]1C[C@@H]1CO 238287184 573117246 /nfs/dbraw/zinc/11/72/46/573117246.db2.gz HSSQSHOYPBMNOJ-XLPZGREQSA-N 0 0 144.214 1.182 10 0 ADAERN C[C@H]1Cc2ccc(CCO)cc2N1C 258233212 573117263 /nfs/dbraw/zinc/11/72/63/573117263.db2.gz WPMAECGAGRNRJZ-VIFPVBQESA-N 0 0 191.274 1.602 10 0 ADAERN CC1CC(N2C(=S)N=NC2CO)C1 123659085 573117266 /nfs/dbraw/zinc/11/72/66/573117266.db2.gz BWRWJIAHHONECE-UHFFFAOYSA-N 0 0 199.279 1.030 10 0 ADAERN CC1=Nc2cccnc2NC(=O)C1 142029549 573117282 /nfs/dbraw/zinc/11/72/82/573117282.db2.gz GHMSRTQTTQQBSE-UHFFFAOYSA-N 0 0 175.191 1.516 10 0 ADAERN CC[C@H](C)c1noc(CO)n1 82583391 573117654 /nfs/dbraw/zinc/11/76/54/573117654.db2.gz QAZSCULDOVSLJD-YFKPBYRVSA-N 0 0 156.185 1.075 10 0 ADAERN C[C@H](CO)c1ccc(F)cc1C=O 257953965 573117321 /nfs/dbraw/zinc/11/73/21/573117321.db2.gz BGDGYCJRTBQIPC-SSDOTTSWSA-N 0 0 182.194 1.734 10 0 ADAERN O=C([O-])[C@@H]1C[NH+]=C(C2CCCCC2)N1 214851555 573117324 /nfs/dbraw/zinc/11/73/24/573117324.db2.gz NVJLTBAKANIMSC-QMMMGPOBSA-N 0 0 196.250 1.022 10 0 ADAERN CC[C@H](C)Oc1cnc(N)nc1 238288299 573117334 /nfs/dbraw/zinc/11/73/34/573117334.db2.gz LXWLSSBBVCMXDV-LURJTMIESA-N 0 0 167.212 1.236 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH+]1CC=CC1 128732695 573117359 /nfs/dbraw/zinc/11/73/59/573117359.db2.gz DDHOCLRUUADXTC-SECBINFHSA-N 0 0 183.251 1.502 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1cnn(C)c1 88330610 573117362 /nfs/dbraw/zinc/11/73/62/573117362.db2.gz WKWDVVJLTSDFFR-FTLITQJKSA-N 0 0 166.224 1.110 10 0 ADAERN CCc1ccc2c(c1)O[C@H](O)CC2 238288325 573117365 /nfs/dbraw/zinc/11/73/65/573117365.db2.gz CJEVOUZVQYDTKQ-NSHDSACASA-N 0 0 178.231 1.892 10 0 ADAERN C[C@@H]1C[NH2+]C[C@@H](C2(C)CCC2)O1 686131099 573117412 /nfs/dbraw/zinc/11/74/12/573117412.db2.gz OTZMRJMLWXIAMQ-BDAKNGLRSA-N 0 0 169.268 1.554 10 0 ADAERN CCc1ncncc1OC(C)C 238288108 573117417 /nfs/dbraw/zinc/11/74/17/573117417.db2.gz XVKHRTHFLXEZLX-UHFFFAOYSA-N 0 0 166.224 1.826 10 0 ADAERN C[C@@H]1CN(C(=O)n2ccnc2)C[C@@H]1C 85696670 573117421 /nfs/dbraw/zinc/11/74/21/573117421.db2.gz CIOSPRCYQRWFBT-DTORHVGOSA-N 0 0 193.250 1.439 10 0 ADAERN C[C@H](O)[C@H]1OC(=O)c2ccccc21 142044471 573117427 /nfs/dbraw/zinc/11/74/27/573117427.db2.gz DGVATGXQLLEFQV-IMTBSYHQSA-N 0 0 178.187 1.279 10 0 ADAERN CN1CCO[C@]1(C)c1ccccc1 73257823 573117435 /nfs/dbraw/zinc/11/74/35/573117435.db2.gz NMOZPNPFZGQJDM-LLVKDONJSA-N 0 0 177.247 1.821 10 0 ADAERN C[C@@H]1CCC=C[C@@H]1C(N)=O 104644115 573117448 /nfs/dbraw/zinc/11/74/48/573117448.db2.gz VJQVDPJJLPHAKD-RQJHMYQMSA-N 0 0 139.198 1.074 10 0 ADAERN CC[C@H]1CC(=O)NC(=O)C1(CC)CC 238287476 573117449 /nfs/dbraw/zinc/11/74/49/573117449.db2.gz LLSGAEVGNCNIPV-QMMMGPOBSA-N 0 0 197.278 1.866 10 0 ADAERN C[C@@H]1Cc2ccc(CCO)cc2N1C 258233209 573117457 /nfs/dbraw/zinc/11/74/57/573117457.db2.gz WPMAECGAGRNRJZ-SECBINFHSA-N 0 0 191.274 1.602 10 0 ADAERN COC[C@H](C)OC(=O)C[C@H]1C[C@H]1C 308267536 573117466 /nfs/dbraw/zinc/11/74/66/573117466.db2.gz QFPQOMOYWKCVBQ-HRDYMLBCSA-N 0 0 186.251 1.611 10 0 ADAERN O=Cc1nc(Cc2cccs2)no1 82583252 573117470 /nfs/dbraw/zinc/11/74/70/573117470.db2.gz FOOFFZKJGWOXBA-UHFFFAOYSA-N 0 0 194.215 1.534 10 0 ADAERN O=C1C[C@@H]2CC[C@H](C1)N2Cl 144051294 573117474 /nfs/dbraw/zinc/11/74/74/573117474.db2.gz ISHDHEJTNNLPGR-OLQVQODUSA-N 0 0 159.616 1.336 10 0 ADAERN COC(=O)[C@]1(c2cncs2)C[C@@H]1C 259601043 573117480 /nfs/dbraw/zinc/11/74/80/573117480.db2.gz MBLMARXNWDXTNU-IMTBSYHQSA-N 0 0 197.259 1.594 10 0 ADAERN CC[C@H](C)n1cnnc1NC 238287403 573117496 /nfs/dbraw/zinc/11/74/96/573117496.db2.gz NVMOYKDBYAMGHE-LURJTMIESA-N 0 0 154.217 1.291 10 0 ADAERN C[C@H](OC(=O)C1CC(=O)C1)C(F)F 308266770 573117497 /nfs/dbraw/zinc/11/74/97/573117497.db2.gz QDLBAUJGBCJYBT-BYPYZUCNSA-N 0 0 192.161 1.162 10 0 ADAERN CCOC[C@@H](O)c1cc(F)ccc1N 131922565 573117505 /nfs/dbraw/zinc/11/75/05/573117505.db2.gz BXFKUSBHNAJWQL-SNVBAGLBSA-N 0 0 199.225 1.478 10 0 ADAERN Cc1ccc([C@H]([NH3+])C(=O)[S-])cc1 144011770 573117512 /nfs/dbraw/zinc/11/75/12/573117512.db2.gz HGXXLBDSIYHSDV-QMMMGPOBSA-N 0 0 181.260 1.451 10 0 ADAERN Cc1nc(CC(C)C)sc1NN 259333623 573117527 /nfs/dbraw/zinc/11/75/27/573117527.db2.gz PAKLWXZWWZAVNQ-UHFFFAOYSA-N 0 0 185.296 1.936 10 0 ADAERN OCc1nc(C2CCCCC2)no1 82583334 573117542 /nfs/dbraw/zinc/11/75/42/573117542.db2.gz BUPURFUFFWVBIG-UHFFFAOYSA-N 0 0 182.223 1.610 10 0 ADAERN CC[C@H]1CC(=O)[C@@H](CC)CC1=O 238287741 573117579 /nfs/dbraw/zinc/11/75/79/573117579.db2.gz DYOBJULDPFIPIT-YUMQZZPRSA-N 0 0 168.236 1.971 10 0 ADAERN CCc1nn(C(N)=O)c2c1CCCC2 238288454 573117584 /nfs/dbraw/zinc/11/75/84/573117584.db2.gz ZGOSLAIKFUDFAC-UHFFFAOYSA-N 0 0 193.250 1.251 10 0 ADAERN O=C([O-])C[NH2+]C1=CCCCC1 144015983 573117612 /nfs/dbraw/zinc/11/76/12/573117612.db2.gz NWRNEZXCTXSGRU-UHFFFAOYSA-N 0 0 155.197 1.119 10 0 ADAERN CC(=O)[C@@]1(C)O[C@H](C)CCS1 144074736 573117627 /nfs/dbraw/zinc/11/76/27/573117627.db2.gz GPHUKMPDWDTHRH-SVRRBLITSA-N 0 0 174.265 1.834 10 0 ADAERN COC(=O)N[C@@](C)(CO)CC(C)C 308267588 573118335 /nfs/dbraw/zinc/11/83/35/573118335.db2.gz QGDHSNUMEQVFPL-SECBINFHSA-N 0 0 189.255 1.140 10 0 ADAERN OCc1coc(C2CCOCC2)n1 257945054 573118083 /nfs/dbraw/zinc/11/80/83/573118083.db2.gz FNZFVTPWHSSBBZ-UHFFFAOYSA-N 0 0 183.207 1.061 10 0 ADAERN CC1(C)CO[C@H](C[C@@H]2CCCO2)[NH2+]1 258479720 573118416 /nfs/dbraw/zinc/11/84/16/573118416.db2.gz LGSJPCYGXPDNQF-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN C/C=C/C(=O)N1CCO[C@H]2CCC[C@H]21 88383560 573118240 /nfs/dbraw/zinc/11/82/40/573118240.db2.gz JNJMTBKZYIPIRI-WMSLEYKJSA-N 0 0 195.262 1.342 10 0 ADAERN CSC[C@H](CO)c1ccco1 258232854 573117875 /nfs/dbraw/zinc/11/78/75/573117875.db2.gz RNFXSJRORPACCA-ZETCQYMHSA-N 0 0 172.249 1.719 10 0 ADAERN COC[C@H](C)OC(=O)C[C@@H]1C[C@@H]1C 308267529 573117878 /nfs/dbraw/zinc/11/78/78/573117878.db2.gz QFPQOMOYWKCVBQ-CIUDSAMLSA-N 0 0 186.251 1.611 10 0 ADAERN Cc1nn(C)c2cc(N)c(N)cc12 225153066 573117880 /nfs/dbraw/zinc/11/78/80/573117880.db2.gz GTMAVUIXPJLBLK-UHFFFAOYSA-N 0 0 176.223 1.046 10 0 ADAERN C[C@@H](NC[C@H](O)C1CC1)C(F)(F)F 308267225 573118243 /nfs/dbraw/zinc/11/82/43/573118243.db2.gz QGMFADVRBUBVFB-VDTYLAMSSA-N 0 0 197.200 1.298 10 0 ADAERN C[C@@H]1CCC[C@@H](c2noc(CO)n2)C1 82583370 573117932 /nfs/dbraw/zinc/11/79/32/573117932.db2.gz ANGUFUMHVBJCHF-HTQZYQBOSA-N 0 0 196.250 1.856 10 0 ADAERN Nc1cc2ncccc2nc1Cl 257945424 573117935 /nfs/dbraw/zinc/11/79/35/573117935.db2.gz DSLHAJIOMBKKKD-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN O=C1CC[C@H]2CCC[C@]1(O)CC2 197082895 573118250 /nfs/dbraw/zinc/11/82/50/573118250.db2.gz HAIXIZWAYISIFO-SCZZXKLOSA-N 0 0 168.236 1.661 10 0 ADAERN CN(C)c1cc(Cl)cc(CO)c1 144053884 573118016 /nfs/dbraw/zinc/11/80/16/573118016.db2.gz BWVUPLZYISNEJK-UHFFFAOYSA-N 0 0 185.654 1.898 10 0 ADAERN O=Cc1cc2c(c(F)c1F)OCO2 197087273 573118030 /nfs/dbraw/zinc/11/80/30/573118030.db2.gz YSYGSSTYGPPIAU-UHFFFAOYSA-N 0 0 186.113 1.506 10 0 ADAERN C[C@H](O)c1cnc([C@@H]2CCCCO2)o1 257945030 573118253 /nfs/dbraw/zinc/11/82/53/573118253.db2.gz FNPJTJDIVSQOLV-YUMQZZPRSA-N 0 0 197.234 1.970 10 0 ADAERN C[C@@H](NC[C@@H](O)C1CC1)C(F)(F)F 308267224 573118064 /nfs/dbraw/zinc/11/80/64/573118064.db2.gz QGMFADVRBUBVFB-IYSWYEEDSA-N 0 0 197.200 1.298 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)C12CCCC2 259601059 573118068 /nfs/dbraw/zinc/11/80/68/573118068.db2.gz MBSJBBLJXBABHF-SFYZADRCSA-N 0 0 168.236 1.986 10 0 ADAERN Cc1cc2cnccc2nc1N 143982113 573118080 /nfs/dbraw/zinc/11/80/80/573118080.db2.gz YKLVCTQZARULQO-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN CCc1c(N)nnn1CC(C)(C)C 642844073 573118081 /nfs/dbraw/zinc/11/80/81/573118081.db2.gz CHQQXLGYXUKBLB-UHFFFAOYSA-N 0 0 182.271 1.469 10 0 ADAERN CC(C)(CCO)Nc1ncccc1N 123662142 573118087 /nfs/dbraw/zinc/11/80/87/573118087.db2.gz YONRJCJODNKRDR-UHFFFAOYSA-N 0 0 195.266 1.237 10 0 ADAERN O[C@H]1c2ccccc2C2=NCCCN21 144031141 573118089 /nfs/dbraw/zinc/11/80/89/573118089.db2.gz IKSJTAVYFKGGNQ-NSHDSACASA-N 0 0 188.230 1.143 10 0 ADAERN O=C1C[C@H]2CCC=C[C@@H]12 197087301 573118113 /nfs/dbraw/zinc/11/81/13/573118113.db2.gz AVMAZPZVFUMPIY-RNFRBKRXSA-N 0 0 122.167 1.542 10 0 ADAERN COC(=O)CCOC(=O)CC(C)C 308267033 573118115 /nfs/dbraw/zinc/11/81/15/573118115.db2.gz QAVCEKRZAYPATO-UHFFFAOYSA-N 0 0 188.223 1.139 10 0 ADAERN CC(C)C[C@@]1(C(C)C)NC(=O)NC1=O 197084798 573118121 /nfs/dbraw/zinc/11/81/21/573118121.db2.gz YCRIVWHVVXGNGD-JTQLQIEISA-N 0 0 198.266 1.267 10 0 ADAERN CCN(C)c1ccc(C(N)=O)cc1 144072232 573118144 /nfs/dbraw/zinc/11/81/44/573118144.db2.gz KEXYZAJDXMOTST-UHFFFAOYSA-N 0 0 178.235 1.242 10 0 ADAERN CC(C)c1nc2c(O)cccn2n1 257945090 573118153 /nfs/dbraw/zinc/11/81/53/573118153.db2.gz KMPUBTJEXAIRTP-UHFFFAOYSA-N 0 0 177.207 1.558 10 0 ADAERN CC(C)C[C@]1(C(C)C)NC(=O)NC1=O 197084811 573118164 /nfs/dbraw/zinc/11/81/64/573118164.db2.gz YCRIVWHVVXGNGD-SNVBAGLBSA-N 0 0 198.266 1.267 10 0 ADAERN CCC(=CCC(N)=O)CC 104648918 573118170 /nfs/dbraw/zinc/11/81/70/573118170.db2.gz LSIQBDHZLFLYGZ-UHFFFAOYSA-N 0 0 141.214 1.608 10 0 ADAERN CC[C@H]1CC(=O)CCS1 238287057 573118171 /nfs/dbraw/zinc/11/81/71/573118171.db2.gz UUGMVJXGWHBGEE-ZETCQYMHSA-N 0 0 144.239 1.861 10 0 ADAERN C[C@H]1CCCN1C(=O)n1ccnc1 85696677 573118186 /nfs/dbraw/zinc/11/81/86/573118186.db2.gz ZYLBZCDAWADTKU-QMMMGPOBSA-N 0 0 179.223 1.336 10 0 ADAERN O=C1C[C@@H]2CCC=C[C@H]12 197087339 573118192 /nfs/dbraw/zinc/11/81/92/573118192.db2.gz AVMAZPZVFUMPIY-BQBZGAKWSA-N 0 0 122.167 1.542 10 0 ADAERN OCc1coc([C@H]2CCSC2)n1 257945155 573118199 /nfs/dbraw/zinc/11/81/99/573118199.db2.gz FPAMZOIPPLGLHB-LURJTMIESA-N 0 0 185.248 1.387 10 0 ADAERN CS[C@@H](C(N)=O)c1ccccc1N 197091258 573118326 /nfs/dbraw/zinc/11/83/26/573118326.db2.gz VXKHSOWGWKHHER-MRVPVSSYSA-N 0 0 196.275 1.158 10 0 ADAERN COC(=O)[C@H]1[C@@H](C)C12CCCC2 259601054 573118275 /nfs/dbraw/zinc/11/82/75/573118275.db2.gz MBSJBBLJXBABHF-HTQZYQBOSA-N 0 0 168.236 1.986 10 0 ADAERN CCC[C@H]1CC(=O)N(CCC)C(=O)N1 128723661 573118278 /nfs/dbraw/zinc/11/82/78/573118278.db2.gz CXRCLSGNCIWWBO-QMMMGPOBSA-N 0 0 198.266 1.507 10 0 ADAERN CCOc1ccc2c(c1)CN=CN2 238287090 573118333 /nfs/dbraw/zinc/11/83/33/573118333.db2.gz AJYXYAVXTJRGAU-UHFFFAOYSA-N 0 0 176.219 1.848 10 0 ADAERN CC/C=C(\C)[C@@H](CC)C(=O)NC(N)=O 308266909 573118300 /nfs/dbraw/zinc/11/83/00/573118300.db2.gz IMGXDESIAFUQFK-HYDMIIDASA-N 0 0 198.266 1.564 10 0 ADAERN O=C1C[C@H]2CCC=C[C@H]12 197087326 573118316 /nfs/dbraw/zinc/11/83/16/573118316.db2.gz AVMAZPZVFUMPIY-RQJHMYQMSA-N 0 0 122.167 1.542 10 0 ADAERN C[C@@H](O)c1cnc([C@@H]2CCCCO2)o1 257945029 573118363 /nfs/dbraw/zinc/11/83/63/573118363.db2.gz FNPJTJDIVSQOLV-SFYZADRCSA-N 0 0 197.234 1.970 10 0 ADAERN CC[C@H]1CC(=O)C[C@H](OC)O1 238287378 573118393 /nfs/dbraw/zinc/11/83/93/573118393.db2.gz ZLWWYFFUVPHAJS-JGVFFNPUSA-N 0 0 158.197 1.117 10 0 ADAERN OCCCC=C1CC1 197083152 573118442 /nfs/dbraw/zinc/11/84/42/573118442.db2.gz WOXFNRALVFPKTQ-UHFFFAOYSA-N 0 0 112.172 1.479 10 0 ADAERN Cc1ccnc2c1CCCC2=O 114771211 573118456 /nfs/dbraw/zinc/11/84/56/573118456.db2.gz AZSXATBZSJCWHC-UHFFFAOYSA-N 0 0 161.204 1.909 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+]1CC(C)C1 128729442 573118465 /nfs/dbraw/zinc/11/84/65/573118465.db2.gz IVPJBJLLURKPPH-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN Clc1cnnc(C[C@@H]2CCOC2)c1 259330670 573118530 /nfs/dbraw/zinc/11/85/30/573118530.db2.gz FBWGRINAQKZEER-ZETCQYMHSA-N 0 0 198.653 1.709 10 0 ADAERN OCc1coc([C@@H]2CCSC2)n1 257945156 573118544 /nfs/dbraw/zinc/11/85/44/573118544.db2.gz FPAMZOIPPLGLHB-ZCFIWIBFSA-N 0 0 185.248 1.387 10 0 ADAERN CC1(C)CO[C@@](C)(c2ccco2)N1 258529202 573118602 /nfs/dbraw/zinc/11/86/02/573118602.db2.gz NOHJUHUTVPKDAB-JTQLQIEISA-N 0 0 181.235 1.851 10 0 ADAERN O=C1C[C@@H]2CCC=C[C@@H]12 197087311 573118611 /nfs/dbraw/zinc/11/86/11/573118611.db2.gz AVMAZPZVFUMPIY-NKWVEPMBSA-N 0 0 122.167 1.542 10 0 ADAERN CCc1ncncc1OC1CC1 238288121 573118613 /nfs/dbraw/zinc/11/86/13/573118613.db2.gz PDIJADYYCBXVGQ-UHFFFAOYSA-N 0 0 164.208 1.580 10 0 ADAERN C[C@H](O)c1cnc([C@H]2CCCCO2)o1 257945027 573118617 /nfs/dbraw/zinc/11/86/17/573118617.db2.gz FNPJTJDIVSQOLV-JGVFFNPUSA-N 0 0 197.234 1.970 10 0 ADAERN CCc1ccc2c(c1)[C@H](C(=O)[O-])[NH2+]C2 238288555 573118663 /nfs/dbraw/zinc/11/86/63/573118663.db2.gz VLLOMRRMUMPJIQ-SNVBAGLBSA-N 0 0 191.230 1.478 10 0 ADAERN CC[C@@H]1[NH2+]C[C@H](C(C)C)C[C@@H]1C(=O)[O-] 238288383 573118674 /nfs/dbraw/zinc/11/86/74/573118674.db2.gz JKISOTHSHXCDAL-UTLUCORTSA-N 0 0 199.294 1.731 10 0 ADAERN CC[C@@H]1[NH2+]CC[C@H](C(=O)[O-])[C@@H]1C 238287469 573118736 /nfs/dbraw/zinc/11/87/36/573118736.db2.gz NWOROJDRRCDIPA-FXQIFTODSA-N 0 0 171.240 1.095 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC1(C)C 88353623 573118755 /nfs/dbraw/zinc/11/87/55/573118755.db2.gz NRLTWABRCURXFX-SMMXGFFBSA-N 0 0 153.225 1.477 10 0 ADAERN CCC(=O)[C@H]1OC(=O)C[C@@H]1CC 238287690 573118773 /nfs/dbraw/zinc/11/87/73/573118773.db2.gz LLPCGUMHGRUZMW-RCOVLWMOSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1cnnc(N[C@@H](C)[C@H](C)CO)c1 235472092 573118774 /nfs/dbraw/zinc/11/87/74/573118774.db2.gz DIWJHMXHKWIEAK-BDAKNGLRSA-N 0 0 195.266 1.214 10 0 ADAERN O=c1[nH]cc2cccc(Cl)n12 258530856 573118790 /nfs/dbraw/zinc/11/87/90/573118790.db2.gz NJHVFXFVSXKXSS-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN CCC[C@@H]1CC(=O)N(CCC)C(=O)N1 128723389 573118792 /nfs/dbraw/zinc/11/87/92/573118792.db2.gz CXRCLSGNCIWWBO-MRVPVSSYSA-N 0 0 198.266 1.507 10 0 ADAERN Cc1ccc(-c2ccn(C)n2)cc1N 143984001 573118803 /nfs/dbraw/zinc/11/88/03/573118803.db2.gz GGPLGONVXONFES-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[NH+]1CC(C)(C)C1 128730311 573118813 /nfs/dbraw/zinc/11/88/13/573118813.db2.gz NIDTVHVDVQWMFM-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H]1CC(=O)C[C@@H](OC)O1 238287254 573118829 /nfs/dbraw/zinc/11/88/29/573118829.db2.gz ZLWWYFFUVPHAJS-YUMQZZPRSA-N 0 0 158.197 1.117 10 0 ADAERN CCC(=O)[C@@H]1OC(=O)C[C@@H]1CC 238287701 573118837 /nfs/dbraw/zinc/11/88/37/573118837.db2.gz LLPCGUMHGRUZMW-IMTBSYHQSA-N 0 0 170.208 1.307 10 0 ADAERN C[C@@H]1CC=CC[C@@H]1C(N)=O 104649280 573118845 /nfs/dbraw/zinc/11/88/45/573118845.db2.gz JPANPZSRDZKMBB-RQJHMYQMSA-N 0 0 139.198 1.074 10 0 ADAERN C[C@@H]1C=CC=[NH+]1 114745645 573118861 /nfs/dbraw/zinc/11/88/61/573118861.db2.gz LLNIJJUAEAHGNR-RXMQYKEDSA-N 0 0 81.118 1.016 10 0 ADAERN CCC(O)(CC)[C@H](O)C(C)C 197994049 573118897 /nfs/dbraw/zinc/11/88/97/573118897.db2.gz YUDVTWCLSMJJHY-MRVPVSSYSA-N 0 0 160.257 1.554 10 0 ADAERN CC(=O)Cc1cc2c(s1)CCOC2 214855807 573118954 /nfs/dbraw/zinc/11/89/54/573118954.db2.gz ICWCPDDGWCRYIX-UHFFFAOYSA-N 0 0 196.271 1.952 10 0 ADAERN COc1snc(C)c1N 104650527 573118970 /nfs/dbraw/zinc/11/89/70/573118970.db2.gz NRZFOHQOWDBHMK-UHFFFAOYSA-N 0 0 144.199 1.042 10 0 ADAERN CC(C)[C@@H](C[C@@H]1CCC[NH2+]C1)C(=O)[O-] 258233306 573118972 /nfs/dbraw/zinc/11/89/72/573118972.db2.gz ZRGSESHBCXUPML-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN C[C@H](CO)CNc1nccs1 88389738 573118989 /nfs/dbraw/zinc/11/89/89/573118989.db2.gz BSCMHGOPZAGEIK-LURJTMIESA-N 0 0 172.253 1.183 10 0 ADAERN Nc1cccc2nc(=O)cccc12 144031298 573119007 /nfs/dbraw/zinc/11/90/07/573119007.db2.gz RUFVVFCAFDRGEI-UHFFFAOYSA-N 0 0 172.187 1.177 10 0 ADAERN C[C@H](O)CSC(C)(C)C 88282634 573119027 /nfs/dbraw/zinc/11/90/27/573119027.db2.gz HWYKYZULWIPMGP-LURJTMIESA-N 0 0 148.271 1.899 10 0 ADAERN CCOC1=NC(=O)[C@@H](C)[C@@H]1C 144050329 573119025 /nfs/dbraw/zinc/11/90/25/573119025.db2.gz OZUNARIQLRQSEI-WDSKDSINSA-N 0 0 155.197 1.234 10 0 ADAERN C[C@H]1CCN(C(=O)/C=C\C2CC2)C1 308267232 573119038 /nfs/dbraw/zinc/11/90/38/573119038.db2.gz QGVSATVZHOPYNL-WBSSQXGSSA-N 0 0 179.263 1.821 10 0 ADAERN N#CNCc1cc(F)ccc1F 82599665 573119043 /nfs/dbraw/zinc/11/90/43/573119043.db2.gz HTMKWDUJMFLSKY-UHFFFAOYSA-N 0 0 168.146 1.535 10 0 ADAERN C/C=C/C(=O)NCc1cccc(C)n1 88353928 573119045 /nfs/dbraw/zinc/11/90/45/573119045.db2.gz IHXVSHHOEQLXOP-HWKANZROSA-N 0 0 190.246 1.582 10 0 ADAERN CC(C)(O)c1ccc(O)c(N)c1 259330727 573119064 /nfs/dbraw/zinc/11/90/64/573119064.db2.gz FCXNGZZAXAEKAG-UHFFFAOYSA-N 0 0 167.208 1.202 10 0 ADAERN Clc1cc(O[C@@H]2CCOC2)ccn1 82605637 573119066 /nfs/dbraw/zinc/11/90/66/573119066.db2.gz TXAIJRKOAXISEO-MRVPVSSYSA-N 0 0 199.637 1.903 10 0 ADAERN CCc1ccc2c(c1)OCCNC2=O 238287480 573119070 /nfs/dbraw/zinc/11/90/70/573119070.db2.gz CISFWHRHWJMVMI-UHFFFAOYSA-N 0 0 191.230 1.371 10 0 ADAERN CC[C@@H]1[NH2+]C[C@H](C)C[C@@H]1C(=O)[O-] 238288453 573119075 /nfs/dbraw/zinc/11/90/75/573119075.db2.gz ONYHNPKYLXSPJH-CSMHCCOUSA-N 0 0 171.240 1.095 10 0 ADAERN COCc1cnc2ccc(N)cn12 258530807 573119083 /nfs/dbraw/zinc/11/90/83/573119083.db2.gz MLKQNFQDIWSYKO-UHFFFAOYSA-N 0 0 177.207 1.063 10 0 ADAERN Clc1cnnc(C[C@H]2CCOC2)c1 259330668 573119084 /nfs/dbraw/zinc/11/90/84/573119084.db2.gz FBWGRINAQKZEER-SSDOTTSWSA-N 0 0 198.653 1.709 10 0 ADAERN Cl/C=C1/CN=CO1 143989857 573119090 /nfs/dbraw/zinc/11/90/90/573119090.db2.gz ZSWRQRVFJMEHNM-RJRFIUFISA-N 0 0 117.535 1.125 10 0 ADAERN CC/C=C(\C)[C@H](CC)C(=O)NC(N)=O 308266908 573119098 /nfs/dbraw/zinc/11/90/98/573119098.db2.gz IMGXDESIAFUQFK-CZEYKFRCSA-N 0 0 198.266 1.564 10 0 ADAERN Nc1cccc2cc(CO)sc12 257948349 573119119 /nfs/dbraw/zinc/11/91/19/573119119.db2.gz WPOVVWROOIFNHN-UHFFFAOYSA-N 0 0 179.244 1.976 10 0 ADAERN C[C@@H](CO)[C@@](C)(O)Cc1ccccc1 222816747 573119131 /nfs/dbraw/zinc/11/91/31/573119131.db2.gz GQPHSXFLIDYJQL-JQWIXIFHSA-N 0 0 194.274 1.609 10 0 ADAERN Cc1ccccc1C(=O)c1ncc[nH]1 88300821 573119182 /nfs/dbraw/zinc/11/91/82/573119182.db2.gz KKPZYFSWJMJPEL-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN COc1ccn2c(C=O)ncc2c1 257947654 573119188 /nfs/dbraw/zinc/11/91/88/573119188.db2.gz VVLNCFBVXJNNFD-UHFFFAOYSA-N 0 0 176.175 1.155 10 0 ADAERN Cc1cc2c(cc1N)C(=O)CO2 88325406 573119190 /nfs/dbraw/zinc/11/91/90/573119190.db2.gz YPIAWFKZSYAXJX-UHFFFAOYSA-N 0 0 163.176 1.152 10 0 ADAERN CC(=O)c1ccc2c(c1F)OCCO2 257947702 573119263 /nfs/dbraw/zinc/11/92/63/573119263.db2.gz ANPWWOYQKSDJQF-UHFFFAOYSA-N 0 0 196.177 1.800 10 0 ADAERN CC[C@H]1CC(=O)Nc2c1cnn2CC 238287645 573119267 /nfs/dbraw/zinc/11/92/67/573119267.db2.gz WBGLXLKOFWVSEJ-ZETCQYMHSA-N 0 0 193.250 1.739 10 0 ADAERN Oc1cccc2c1NC[C@H]1C[C@@H]21 258530838 573119244 /nfs/dbraw/zinc/11/92/44/573119244.db2.gz NJDZVWSMYWEXCN-HTRCEHHLSA-N 0 0 161.204 1.921 10 0 ADAERN C[C@@H](O)C(=O)OCC1(C)CCCC1 308273786 573119248 /nfs/dbraw/zinc/11/92/48/573119248.db2.gz UFWFQUDLCJOHOV-MRVPVSSYSA-N 0 0 186.251 1.491 10 0 ADAERN CCCn1nc(CC)c2c(N)n[nH]c21 82608705 573119251 /nfs/dbraw/zinc/11/92/51/573119251.db2.gz RJTNJEJMCOFWJF-UHFFFAOYSA-N 0 0 193.254 1.314 10 0 ADAERN 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0 199.351 1.392 10 0 ADAERN CC1(c2cccc(C=O)n2)OCCO1 114753907 573119448 /nfs/dbraw/zinc/11/94/48/573119448.db2.gz SOCBUVFREJVYON-UHFFFAOYSA-N 0 0 193.202 1.114 10 0 ADAERN Cn1ccc2cc(NC=O)ccc21 143980542 573119498 /nfs/dbraw/zinc/11/94/98/573119498.db2.gz KAKFQDPHCPCHAT-UHFFFAOYSA-N 0 0 174.203 1.747 10 0 ADAERN OC1CC(Cn2cccc2)C1 123660553 573119502 /nfs/dbraw/zinc/11/95/02/573119502.db2.gz XYOKELQEDMNMBH-UHFFFAOYSA-N 0 0 151.209 1.259 10 0 ADAERN CC(C)(C)OCCC1OCCCO1 85706071 573119547 /nfs/dbraw/zinc/11/95/47/573119547.db2.gz OIQBVNQWCZIVNQ-UHFFFAOYSA-N 0 0 188.267 1.955 10 0 ADAERN CC(C)[C@H](C[C@H]1CCC[NH2+]C1)C(=O)[O-] 258233307 573119532 /nfs/dbraw/zinc/11/95/32/573119532.db2.gz ZRGSESHBCXUPML-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN Cc1ccn(CCC2OCCCO2)n1 85705961 573119578 /nfs/dbraw/zinc/11/95/78/573119578.db2.gz HFVTYOJQNNGCNH-UHFFFAOYSA-N 0 0 196.250 1.345 10 0 ADAERN CC[C@@H]1[NH2+]C[C@H](C(=O)[O-])C[C@@H]1C 238288421 573119601 /nfs/dbraw/zinc/11/96/01/573119601.db2.gz 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/nfs/dbraw/zinc/11/97/33/573119733.db2.gz ADQBIIYCUOZMEM-LLVKDONJSA-N 0 0 191.274 1.968 10 0 ADAERN CCc1ccc2c(c1)[C@@H](O)[C@H](O)C=C2 238287586 573119735 /nfs/dbraw/zinc/11/97/35/573119735.db2.gz HMKHDVVYGTWROY-VXGBXAGGSA-N 0 0 190.242 1.670 10 0 ADAERN Cc1ccc(CCO)cc1N 259330723 573119739 /nfs/dbraw/zinc/11/97/39/573119739.db2.gz FCWIVIORRPKZAM-UHFFFAOYSA-N 0 0 151.209 1.112 10 0 ADAERN Cc1ccsc1[C@@H](NN)N(C)C 259331232 573119753 /nfs/dbraw/zinc/11/97/53/573119753.db2.gz YLLNFFAHHLDZPI-QMMMGPOBSA-N 0 0 185.296 1.080 10 0 ADAERN CC1(C)C(CNN)C1(C)C 85709482 573119788 /nfs/dbraw/zinc/11/97/88/573119788.db2.gz CPESNSJNYBIPHB-UHFFFAOYSA-N 0 0 142.246 1.132 10 0 ADAERN CC[C@H](C)O[C@H]1C[C@@H]1CO 238287598 573119803 /nfs/dbraw/zinc/11/98/03/573119803.db2.gz HSSQSHOYPBMNOJ-RNJXMRFFSA-N 0 0 144.214 1.182 10 0 ADAERN C1C[NH2+][C@@H]([C@@H]2CCSC2)OC1 258234802 573119849 /nfs/dbraw/zinc/11/98/49/573119849.db2.gz YZEBREJCPJIBFC-HTQZYQBOSA-N 0 0 173.281 1.076 10 0 ADAERN CC(C)Cc1cnnc(Cl)n1 257947659 573119889 /nfs/dbraw/zinc/11/98/89/573119889.db2.gz VVMDHRORPRZACR-UHFFFAOYSA-N 0 0 171.631 1.724 10 0 ADAERN Cc1ccsc1[C@H](NN)N(C)C 259331229 573119892 /nfs/dbraw/zinc/11/98/92/573119892.db2.gz YLLNFFAHHLDZPI-MRVPVSSYSA-N 0 0 185.296 1.080 10 0 ADAERN C[C@H](N)c1nc([C@@H]2CCCCO2)no1 257947910 573119898 /nfs/dbraw/zinc/11/98/98/573119898.db2.gz ILSFDZDJIYCYSQ-BQBZGAKWSA-N 0 0 197.238 1.331 10 0 ADAERN Cc1nn(C(C)C)c2[nH]nc(N)c12 82608686 573119904 /nfs/dbraw/zinc/11/99/04/573119904.db2.gz GESZDGKDYRSCOE-UHFFFAOYSA-N 0 0 179.227 1.231 10 0 ADAERN CC[C@H](/C=C(/C)[C@H](C)O)OC 238288408 573119913 /nfs/dbraw/zinc/11/99/13/573119913.db2.gz UMWWPVJUVBBHFB-XFPDIIEBSA-N 0 0 158.241 1.739 10 0 ADAERN C/C=C\[C@]1(O)CCCCC[C@@H]1CO 225154192 573119918 /nfs/dbraw/zinc/11/99/18/573119918.db2.gz BCTIPSFDGNYJPE-RHOAAKQQSA-N 0 0 184.279 1.866 10 0 ADAERN C[C@H](O)[C@@H]1CNc2cccc(F)c21 257948263 573119933 /nfs/dbraw/zinc/11/99/33/573119933.db2.gz FARCITNIZLANBZ-BQBZGAKWSA-N 0 0 181.210 1.716 10 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RHAMJXMIUUOXMG-VURMDHGXSA-N 0 0 185.198 1.163 10 0 ADAERN Cc1occc1COC(=O)[C@@H](C)O 308267966 573120044 /nfs/dbraw/zinc/12/00/44/573120044.db2.gz QSYQJFATWJMTAP-ZCFIWIBFSA-N 0 0 184.191 1.012 10 0 ADAERN C[C@H](O)[C@H]1CNc2cccc(F)c21 257948268 573120486 /nfs/dbraw/zinc/12/04/86/573120486.db2.gz FARCITNIZLANBZ-NKWVEPMBSA-N 0 0 181.210 1.716 10 0 ADAERN CCc1ccc2c(c1)O[C@@H](O)CC2 238288455 573120093 /nfs/dbraw/zinc/12/00/93/573120093.db2.gz CJEVOUZVQYDTKQ-LLVKDONJSA-N 0 0 178.231 1.892 10 0 ADAERN C[C@H]1CC=CC[C@@H]1C(N)=O 104649284 573120118 /nfs/dbraw/zinc/12/01/18/573120118.db2.gz JPANPZSRDZKMBB-BQBZGAKWSA-N 0 0 139.198 1.074 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H]1C(N)=O 104650081 573120141 /nfs/dbraw/zinc/12/01/41/573120141.db2.gz CIZQVXZEWPPQFW-WDSKDSINSA-N 0 0 141.214 1.154 10 0 ADAERN CC[C@H](C)n1nc(C)c2c(N)n[nH]c21 82608641 573120171 /nfs/dbraw/zinc/12/01/71/573120171.db2.gz HVXAEGRDDUSHPR-YFKPBYRVSA-N 0 0 193.254 1.621 10 0 ADAERN COc1cccc(C[C@@H](C)O)c1C 257948999 573120175 /nfs/dbraw/zinc/12/01/75/573120175.db2.gz FLIWRNNEFHVDDQ-MRVPVSSYSA-N 0 0 180.247 1.927 10 0 ADAERN CC(=O)Nc1ccc2c(N)noc2c1 144034250 573120195 /nfs/dbraw/zinc/12/01/95/573120195.db2.gz PBEOMWOKFBLLEW-UHFFFAOYSA-N 0 0 191.190 1.368 10 0 ADAERN Cc1ccc(O)c(C2(O)CC2)c1 257947160 573120234 /nfs/dbraw/zinc/12/02/34/573120234.db2.gz FEISXYQLLRZYFH-UHFFFAOYSA-N 0 0 164.204 1.682 10 0 ADAERN CC(=O)CNC(=O)C1C(C)(C)C1(C)C 85709840 573120255 /nfs/dbraw/zinc/12/02/55/573120255.db2.gz VRNUTEJWDCVZGE-UHFFFAOYSA-N 0 0 197.278 1.374 10 0 ADAERN CSC[C@@H]1[C@H]2CCC(=O)[C@H]21 144027946 573120262 /nfs/dbraw/zinc/12/02/62/573120262.db2.gz SHUWFQLOJAORBA-ATRFCDNQSA-N 0 0 156.250 1.575 10 0 ADAERN Cc1occc1COC(=O)[C@H](C)O 308267965 573120283 /nfs/dbraw/zinc/12/02/83/573120283.db2.gz QSYQJFATWJMTAP-LURJTMIESA-N 0 0 184.191 1.012 10 0 ADAERN CCn1nc(C(C)C)c2c(N)n[nH]c21 82608700 573120289 /nfs/dbraw/zinc/12/02/89/573120289.db2.gz OFNNWBLNTCUHCD-UHFFFAOYSA-N 0 0 193.254 1.485 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CCCC[C@H]1C 82604318 573120294 /nfs/dbraw/zinc/12/02/94/573120294.db2.gz DBAJBLAHBWTURW-TTZKWOQHSA-N 0 0 197.278 1.892 10 0 ADAERN CCC[C@H](C)N(CCO)CC(F)F 233333948 573120304 /nfs/dbraw/zinc/12/03/04/573120304.db2.gz FZNVSTZPQYNPEQ-QMMMGPOBSA-N 0 0 195.253 1.734 10 0 ADAERN C[C@H](NC[C@H](O)C1CC1)C(F)(F)F 308267223 573120306 /nfs/dbraw/zinc/12/03/06/573120306.db2.gz QGMFADVRBUBVFB-FSPLSTOPSA-N 0 0 197.200 1.298 10 0 ADAERN C[C@H](N)c1nc([C@H]2CCCCO2)no1 257947911 573120321 /nfs/dbraw/zinc/12/03/21/573120321.db2.gz ILSFDZDJIYCYSQ-NKWVEPMBSA-N 0 0 197.238 1.331 10 0 ADAERN CC[C@@H](C)n1nc(C)c2c(N)n[nH]c21 82608640 573120338 /nfs/dbraw/zinc/12/03/38/573120338.db2.gz HVXAEGRDDUSHPR-RXMQYKEDSA-N 0 0 193.254 1.621 10 0 ADAERN OCCCc1ccc(F)c(CO)c1 257947834 573120343 /nfs/dbraw/zinc/12/03/43/573120343.db2.gz AQVBCWYXRGWDBO-UHFFFAOYSA-N 0 0 184.210 1.243 10 0 ADAERN Nc1noc(-c2ccncc2Cl)n1 85704961 573120477 /nfs/dbraw/zinc/12/04/77/573120477.db2.gz HRQZYRPJAIFKGH-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN CC[C@@H]1C(=O)NN[C@H]1[C@]1(C)CC1(C)C 717145502 573120384 /nfs/dbraw/zinc/12/03/84/573120384.db2.gz DPUCFBBQKCQMRU-RNSXUZJQSA-N 0 0 196.294 1.452 10 0 ADAERN CCn1ccnc1[Si](C)(C)C 197992681 573120403 /nfs/dbraw/zinc/12/04/03/573120403.db2.gz MHRGOWACIKFFNH-UHFFFAOYSA-N 0 0 168.316 1.448 10 0 ADAERN COc1cc(C)c(C)cc1SNN 259331219 573120480 /nfs/dbraw/zinc/12/04/80/573120480.db2.gz XARPERRVXNJKMB-UHFFFAOYSA-N 0 0 198.291 1.782 10 0 ADAERN NC(=O)/C=C/C=C/C=C/c1ccco1 308268260 573120411 /nfs/dbraw/zinc/12/04/11/573120411.db2.gz NSVSRLUUCUALOK-RUJYRCLDSA-N 0 0 189.214 1.891 10 0 ADAERN COCc1cccc(C[C@H](C)O)c1F 257947804 573120450 /nfs/dbraw/zinc/12/04/50/573120450.db2.gz AQEHSURYUQIOFE-QMMMGPOBSA-N 0 0 198.237 1.895 10 0 ADAERN CCC[C@@H](Cn1cnc(CO)c1)OC 393493398 573120592 /nfs/dbraw/zinc/12/05/92/573120592.db2.gz QKTGXGOFFVDVEH-JTQLQIEISA-N 0 0 198.266 1.191 10 0 ADAERN C[C@@H](O)c1c(O)c(F)cc(F)c1F 257947707 573120596 /nfs/dbraw/zinc/12/05/96/573120596.db2.gz ANWNXOULQLFZSL-GSVOUGTGSA-N 0 0 192.136 1.863 10 0 ADAERN CCc1cc2cnccc2nc1N 143983186 573120597 /nfs/dbraw/zinc/12/05/97/573120597.db2.gz ZAJMBPSFETXFOY-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN COc1cc(C(C)=O)c(O)cc1F 114750315 573120640 /nfs/dbraw/zinc/12/06/40/573120640.db2.gz WXHHIROFXUUURR-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN C[C@@]1(c2nnc(C=O)o2)CCSC1 258233393 573120664 /nfs/dbraw/zinc/12/06/64/573120664.db2.gz ZSLWVUGNMWGKHF-MRVPVSSYSA-N 0 0 198.247 1.277 10 0 ADAERN OC1(Cc2ccc3c(c2)CCO3)CC1 257954013 573120665 /nfs/dbraw/zinc/12/06/65/573120665.db2.gz BHSQQBNEXDWSLF-UHFFFAOYSA-N 0 0 190.242 1.689 10 0 ADAERN CCCNc1ncc2[nH]cnc2n1 144014247 573120681 /nfs/dbraw/zinc/12/06/81/573120681.db2.gz QIKQVANSLKJBMJ-UHFFFAOYSA-N 0 0 177.211 1.175 10 0 ADAERN CCC(O)(CC)[C@@H](O)C(C)C 197994053 573120726 /nfs/dbraw/zinc/12/07/26/573120726.db2.gz YUDVTWCLSMJJHY-QMMMGPOBSA-N 0 0 160.257 1.554 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)CCN2C 257946573 573120734 /nfs/dbraw/zinc/12/07/34/573120734.db2.gz RMZKLWWHPJMWPL-SECBINFHSA-N 0 0 191.274 1.775 10 0 ADAERN O=C(Nc1cn[nH]c1)N1CCCC1 88393787 573120756 /nfs/dbraw/zinc/12/07/56/573120756.db2.gz BRZCCGKKQGDEPJ-UHFFFAOYSA-N 0 0 180.211 1.037 10 0 ADAERN Clc1cc(O[C@H]2CCOC2)ccn1 82605639 573120768 /nfs/dbraw/zinc/12/07/68/573120768.db2.gz TXAIJRKOAXISEO-QMMMGPOBSA-N 0 0 199.637 1.903 10 0 ADAERN O=C1N=C(c2cccc(O)c2)CO1 257947605 573120793 /nfs/dbraw/zinc/12/07/93/573120793.db2.gz VUTMCKPSLQOOFC-UHFFFAOYSA-N 0 0 177.159 1.753 10 0 ADAERN COC1(c2ccc(C)cc2)COC1 258531219 573120795 /nfs/dbraw/zinc/12/07/95/573120795.db2.gz IMODAUVMAAISDO-UHFFFAOYSA-N 0 0 178.231 1.867 10 0 ADAERN CCc1nn(C(C)C)c2[nH]nc(N)c12 82608677 573120837 /nfs/dbraw/zinc/12/08/37/573120837.db2.gz CNVAKGIPGONXJV-UHFFFAOYSA-N 0 0 193.254 1.485 10 0 ADAERN CC(C)Cc1occc1CO 198673955 573120840 /nfs/dbraw/zinc/12/08/40/573120840.db2.gz UTLODKLCJJXUBL-UHFFFAOYSA-N 0 0 154.209 1.970 10 0 ADAERN Cc1ccc([C@@H]([NH3+])C(=O)[S-])cc1 144011969 573120858 /nfs/dbraw/zinc/12/08/58/573120858.db2.gz HGXXLBDSIYHSDV-MRVPVSSYSA-N 0 0 181.260 1.451 10 0 ADAERN CC(C)(C)CCC1=S=CC(N)=N1 642846907 573120881 /nfs/dbraw/zinc/12/08/81/573120881.db2.gz DINDHCDNPHOVDO-UHFFFAOYSA-N 0 0 184.308 1.480 10 0 ADAERN CCCCC(=O)OCOC 114767173 573120884 /nfs/dbraw/zinc/12/08/84/573120884.db2.gz WTJSITYIPKQJGD-UHFFFAOYSA-N 0 0 146.186 1.324 10 0 ADAERN CC(C)Cc1nc2cccc(O)n2n1 257946879 573120892 /nfs/dbraw/zinc/12/08/92/573120892.db2.gz MCCHSLHFHUMVTD-UHFFFAOYSA-N 0 0 191.234 1.633 10 0 ADAERN CC(C)CC(=S)NC1=CC(=O)OC1 224837457 573120904 /nfs/dbraw/zinc/12/09/04/573120904.db2.gz UYZXSEDXBOMZOD-UHFFFAOYSA-N 0 0 199.275 1.390 10 0 ADAERN CCn1nc2ccccc2c1C=O 238281220 573120919 /nfs/dbraw/zinc/12/09/19/573120919.db2.gz KXJMOEOYMWOVAK-UHFFFAOYSA-N 0 0 174.203 1.869 10 0 ADAERN C[C@H]1CC[C@@H](C)[C@H]1C(N)=O 104649276 573120921 /nfs/dbraw/zinc/12/09/21/573120921.db2.gz GVTCHQNUYUHLRV-KVSKUHBBSA-N 0 0 141.214 1.154 10 0 ADAERN Cc1ncccc1NC[C@H]1CCOC1 85712034 573120933 /nfs/dbraw/zinc/12/09/33/573120933.db2.gz NMOGBAFAEUIWCV-SNVBAGLBSA-N 0 0 192.262 1.838 10 0 ADAERN C[C@@H](O)[C@@H]1CNc2ccc(F)cc21 257946375 573120954 /nfs/dbraw/zinc/12/09/54/573120954.db2.gz DWYFHXVJQDVSGS-MUWHJKNJSA-N 0 0 181.210 1.716 10 0 ADAERN CC(C)CCO[C@H](C)CO 144018029 573120963 /nfs/dbraw/zinc/12/09/63/573120963.db2.gz BVIYVHSFWPUTHC-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN CC1(C)C(c2nc(N)no2)C1(C)C 85710774 573120976 /nfs/dbraw/zinc/12/09/76/573120976.db2.gz OYYYTUHNYFWMOL-UHFFFAOYSA-N 0 0 181.239 1.801 10 0 ADAERN CC(=O)C[C@@H](O)c1ccc(O)cc1 224836328 573120981 /nfs/dbraw/zinc/12/09/81/573120981.db2.gz OWSFIUZTKKLFFF-SNVBAGLBSA-N 0 0 180.203 1.405 10 0 ADAERN Cc1ccc([C@@H](C)[NH3+])c(C=O)c1 257947179 573121007 /nfs/dbraw/zinc/12/10/07/573121007.db2.gz FEZDIMQBXIILSY-MRVPVSSYSA-N 0 0 163.220 1.827 10 0 ADAERN CC[C@@H]1C(=O)NN[C@H]1[C@@]1(C)CC1(C)C 717145515 573121040 /nfs/dbraw/zinc/12/10/40/573121040.db2.gz DPUCFBBQKCQMRU-VAOFZXAKSA-N 0 0 196.294 1.452 10 0 ADAERN COc1cc(C)cc2[nH]cnc12 144002364 573121056 /nfs/dbraw/zinc/12/10/56/573121056.db2.gz SAZIIEWDVPMDCY-UHFFFAOYSA-N 0 0 162.192 1.880 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH+]1CCCC1 82604311 573121061 /nfs/dbraw/zinc/12/10/61/573121061.db2.gz YTKKGHQBHIYRDT-SOFGYWHQSA-N 0 0 169.224 1.113 10 0 ADAERN NC(=O)OCC1=CCCC1 104648132 573121105 /nfs/dbraw/zinc/12/11/05/573121105.db2.gz BHSYGWUNZOKUNM-UHFFFAOYSA-N 0 0 141.170 1.192 10 0 ADAERN O=C1CCC2(CCCC2=O)CC1 144073382 573121112 /nfs/dbraw/zinc/12/11/12/573121112.db2.gz SXSMUPXBGMXPFX-UHFFFAOYSA-N 0 0 166.220 1.869 10 0 ADAERN CC(C)(O)c1ccc2snnc2c1 257947715 573121116 /nfs/dbraw/zinc/12/11/16/573121116.db2.gz AOAWHTDEKMEVFY-UHFFFAOYSA-N 0 0 194.259 1.919 10 0 ADAERN COc1cc(C=O)c2oncc2c1 259331209 573121164 /nfs/dbraw/zinc/12/11/64/573121164.db2.gz GQNTVIAUAHSCEY-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN CSc1cc(O)cc(C=O)c1 144038807 573121233 /nfs/dbraw/zinc/12/12/33/573121233.db2.gz UGWURWQWLORHOR-UHFFFAOYSA-N 0 0 168.217 1.927 10 0 ADAERN CCc1ccc2c(c1)[C@@H](C(=O)[O-])[NH2+]C2 238288605 573121246 /nfs/dbraw/zinc/12/12/46/573121246.db2.gz VLLOMRRMUMPJIQ-JTQLQIEISA-N 0 0 191.230 1.478 10 0 ADAERN C[C@H](O)c1c(O)c(F)cc(F)c1F 257947711 573121304 /nfs/dbraw/zinc/12/13/04/573121304.db2.gz ANWNXOULQLFZSL-VKHMYHEASA-N 0 0 192.136 1.863 10 0 ADAERN CN(C(=O)/C=C/C1CC1)C1CCC1 308268657 573121339 /nfs/dbraw/zinc/12/13/39/573121339.db2.gz QXMQOZJOTOSECW-BQYQJAHWSA-N 0 0 179.263 1.964 10 0 ADAERN CSCc1ncco1 257948383 573121384 /nfs/dbraw/zinc/12/13/84/573121384.db2.gz WQNRZBOJPPTSNM-UHFFFAOYSA-N 0 0 129.184 1.538 10 0 ADAERN Cc1cnccc1/C=C\[C@@H](C)O 395350528 573122196 /nfs/dbraw/zinc/12/21/96/573122196.db2.gz DSQUYNVHGDBBTB-ZBJFTSOASA-N 0 0 163.220 1.784 10 0 ADAERN COC(=O)[C@@H](C)Nc1cccnc1C 85712268 573121953 /nfs/dbraw/zinc/12/19/53/573121953.db2.gz JJAWEOWEIKQHJS-MRVPVSSYSA-N 0 0 194.234 1.363 10 0 ADAERN CC[C@@]1(OCCO)C[C@@H]1C 238281095 573121974 /nfs/dbraw/zinc/12/19/74/573121974.db2.gz BNKUWYOQSSCKTH-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN O=C(Nc1cn[nH]c1)N1CCCCC1 88393786 573121983 /nfs/dbraw/zinc/12/19/83/573121983.db2.gz AOPZMPCGFBHPGU-UHFFFAOYSA-N 0 0 194.238 1.428 10 0 ADAERN Cc1ccc(-c2ncc(CCO)o2)o1 257947439 573122015 /nfs/dbraw/zinc/12/20/15/573122015.db2.gz FQSDUUZJYXOUGR-UHFFFAOYSA-N 0 0 193.202 1.778 10 0 ADAERN Cc1ccc(-c2c[nH]nc2N)cc1O 257947762 573122022 /nfs/dbraw/zinc/12/20/22/573122022.db2.gz APGJTBSRLXPTEC-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN C1C[NH2+][C@@H]([C@H]2CCSC2)OC1 258234804 573122057 /nfs/dbraw/zinc/12/20/57/573122057.db2.gz YZEBREJCPJIBFC-JGVFFNPUSA-N 0 0 173.281 1.076 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)CCN2C 257946575 573122066 /nfs/dbraw/zinc/12/20/66/573122066.db2.gz RMZKLWWHPJMWPL-VIFPVBQESA-N 0 0 191.274 1.775 10 0 ADAERN Cc1cn2ccc(F)cc2n1 224833932 573122069 /nfs/dbraw/zinc/12/20/69/573122069.db2.gz RIUYNSATGNPXNO-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN CN[C@H](c1ccccc1OC)N(C)C 259337170 573122074 /nfs/dbraw/zinc/12/20/74/573122074.db2.gz FBDRHASDIJKVTR-NSHDSACASA-N 0 0 194.278 1.475 10 0 ADAERN C[C@H](O)c1ccc2c(c1F)OCCO2 257947836 573122081 /nfs/dbraw/zinc/12/20/81/573122081.db2.gz AQWDUUUMEQSUQO-LURJTMIESA-N 0 0 198.193 1.650 10 0 ADAERN CCSCn1cnc(CC)cc1=O 393498096 573122100 /nfs/dbraw/zinc/12/21/00/573122100.db2.gz SYABTCWBPUITCN-UHFFFAOYSA-N 0 0 198.291 1.516 10 0 ADAERN CCc1cc(F)c(F)c(CON)c1 257947768 573122134 /nfs/dbraw/zinc/12/21/34/573122134.db2.gz APMAKXQWRYNUGX-UHFFFAOYSA-N 0 0 187.189 1.918 10 0 ADAERN COc1ccccc1C[C@H](C)NO 131952815 573122146 /nfs/dbraw/zinc/12/21/46/573122146.db2.gz VNSAKZZYOGGMDT-QMMMGPOBSA-N 0 0 181.235 1.605 10 0 ADAERN O=C(OC1CC1)c1ccc(Cl)nn1 225205076 573122149 /nfs/dbraw/zinc/12/21/49/573122149.db2.gz SWAMKXKIVSSNQC-UHFFFAOYSA-N 0 0 198.609 1.449 10 0 ADAERN C[C@]1(c2cccc(F)c2F)CC(=O)N1 235719475 573122172 /nfs/dbraw/zinc/12/21/72/573122172.db2.gz RRWKRMNBSPARKG-SNVBAGLBSA-N 0 0 197.184 1.700 10 0 ADAERN CONCc1cccc([C@H](C)O)c1 259337402 573122198 /nfs/dbraw/zinc/12/21/98/573122198.db2.gz GXIJKEXFLCCTLO-QMMMGPOBSA-N 0 0 181.235 1.391 10 0 ADAERN C[C@H](O)[C@H]1CNc2ccc(F)cc21 257946371 573122246 /nfs/dbraw/zinc/12/22/46/573122246.db2.gz DWYFHXVJQDVSGS-IMTBSYHQSA-N 0 0 181.210 1.716 10 0 ADAERN Nc1c[nH]c(Oc2ccccc2O)n1 257948385 573122251 /nfs/dbraw/zinc/12/22/51/573122251.db2.gz WQNZMDMBBIOGRE-UHFFFAOYSA-N 0 0 191.190 1.490 10 0 ADAERN C[C@H]1CC[C@@H](C)[C@@H]1C(N)=O 104649274 573122764 /nfs/dbraw/zinc/12/27/64/573122764.db2.gz GVTCHQNUYUHLRV-ZMONIFLSSA-N 0 0 141.214 1.154 10 0 ADAERN CCSC1=C(Cl)C(=O)O[C@H]1O 238280595 573122494 /nfs/dbraw/zinc/12/24/94/573122494.db2.gz HXBSKCSADCPSPQ-ZCFIWIBFSA-N 0 0 194.639 1.065 10 0 ADAERN COC(=O)[C@H](C)Nc1cccnc1C 85712264 573122499 /nfs/dbraw/zinc/12/24/99/573122499.db2.gz JJAWEOWEIKQHJS-QMMMGPOBSA-N 0 0 194.234 1.363 10 0 ADAERN CCc1ccc(N)nc1C(=O)OC 238281131 573122504 /nfs/dbraw/zinc/12/25/04/573122504.db2.gz FEBGVLSBUGVHKF-UHFFFAOYSA-N 0 0 180.207 1.013 10 0 ADAERN C[C@H](CO)[C@@](C)(O)Cc1ccccc1 222816816 573122525 /nfs/dbraw/zinc/12/25/25/573122525.db2.gz GQPHSXFLIDYJQL-PWSUYJOCSA-N 0 0 194.274 1.609 10 0 ADAERN CCSCCC1OCCCO1 85706251 573122527 /nfs/dbraw/zinc/12/25/27/573122527.db2.gz VZNNRLBPVNGMSO-UHFFFAOYSA-N 0 0 176.281 1.893 10 0 ADAERN CCN(CC)C(=O)Nc1cn[nH]c1 88393793 573122545 /nfs/dbraw/zinc/12/25/45/573122545.db2.gz JSDVCGKCHADLMR-UHFFFAOYSA-N 0 0 182.227 1.283 10 0 ADAERN O=Cc1c(F)cc(F)c2c1OCC2 257948676 573122557 /nfs/dbraw/zinc/12/25/57/573122557.db2.gz FHMVTSPWEGGUQJ-UHFFFAOYSA-N 0 0 184.141 1.712 10 0 ADAERN CC[C@H](O)CC[C@@H](C)CO 114816967 573122561 /nfs/dbraw/zinc/12/25/61/573122561.db2.gz KQZLLXRPZSRICO-SFYZADRCSA-N 0 0 146.230 1.166 10 0 ADAERN CO[C@H](C)c1cccc(CNO)c1 259601152 573122567 /nfs/dbraw/zinc/12/25/67/573122567.db2.gz ZUKHHRNUINURKG-MRVPVSSYSA-N 0 0 181.235 1.873 10 0 ADAERN C1C[NH2+][C@H]([C@@H]2CCSC2)OC1 258234806 573122570 /nfs/dbraw/zinc/12/25/70/573122570.db2.gz YZEBREJCPJIBFC-SFYZADRCSA-N 0 0 173.281 1.076 10 0 ADAERN CCC1=C(C)C(=O)NC1C=O 238288779 573122573 /nfs/dbraw/zinc/12/25/73/573122573.db2.gz VNHWWGCFXXHWKE-QPJJXVBHSA-N 0 0 153.181 1.242 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CCC[C@H](C)C1 82604335 573122583 /nfs/dbraw/zinc/12/25/83/573122583.db2.gz XSVMNXBXCIYSOE-CMWXKVOJSA-N 0 0 197.278 1.749 10 0 ADAERN CN1C[C@H](CON)c2cc(F)ccc21 257948099 573122592 /nfs/dbraw/zinc/12/25/92/573122592.db2.gz DZPWMYPALCTFQN-SSDOTTSWSA-N 0 0 196.225 1.249 10 0 ADAERN CC[C@@H](O)C(C)(C)F 114805285 573122594 /nfs/dbraw/zinc/12/25/94/573122594.db2.gz LQMAGZIWFASHJM-RXMQYKEDSA-N 0 0 120.167 1.505 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]1[NH2+]C1CCCCCC1 259337340 573122610 /nfs/dbraw/zinc/12/26/10/573122610.db2.gz SBPSFTLAVQUQNA-NXEZZACHSA-N 0 0 197.278 1.772 10 0 ADAERN CC[C@@H](C)[N@@H+]1CC/C(=C/C(=O)[O-])C1 259337278 573122628 /nfs/dbraw/zinc/12/26/28/573122628.db2.gz XTBTZPNBEWHKPR-WSQKDGNHSA-N 0 0 183.251 1.502 10 0 ADAERN Cc1ncccc1NC[C@@H]1CCOC1 85712031 573122638 /nfs/dbraw/zinc/12/26/38/573122638.db2.gz NMOGBAFAEUIWCV-JTQLQIEISA-N 0 0 192.262 1.838 10 0 ADAERN NOCCc1cccc2ocnc12 257947123 573122640 /nfs/dbraw/zinc/12/26/40/573122640.db2.gz FDYBZTXKGLMGOV-UHFFFAOYSA-N 0 0 178.191 1.261 10 0 ADAERN COc1cc(C)c(C)c(CON)c1O 257947634 573122669 /nfs/dbraw/zinc/12/26/69/573122669.db2.gz AMFAVWMYPKLZQF-UHFFFAOYSA-N 0 0 197.234 1.408 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@H+]1CCCC[C@@H]1C 82604320 573122670 /nfs/dbraw/zinc/12/26/70/573122670.db2.gz DBAJBLAHBWTURW-PCYYEKQGSA-N 0 0 197.278 1.892 10 0 ADAERN CONCc1cccc([C@@H](C)O)c1 259337395 573122687 /nfs/dbraw/zinc/12/26/87/573122687.db2.gz GXIJKEXFLCCTLO-MRVPVSSYSA-N 0 0 181.235 1.391 10 0 ADAERN OCCCc1c(F)ccc2c1CCO2 257947733 573122691 /nfs/dbraw/zinc/12/26/91/573122691.db2.gz AOLZKZLAYGSWSC-UHFFFAOYSA-N 0 0 196.221 1.686 10 0 ADAERN CSCCC1OCCCO1 85706319 573122699 /nfs/dbraw/zinc/12/26/99/573122699.db2.gz QFACVYRDWNSHFI-UHFFFAOYSA-N 0 0 162.254 1.503 10 0 ADAERN COc1nc(Cl)ccc1NC=O 114824897 573124180 /nfs/dbraw/zinc/12/41/80/573124180.db2.gz IOGSDNKKMIYBNF-UHFFFAOYSA-N 0 0 186.598 1.312 10 0 ADAERN COc1ccc(/C=C\CC(N)=O)cc1 308268754 573122704 /nfs/dbraw/zinc/12/27/04/573122704.db2.gz OLXTUHRKPWLFDW-IHWYPQMZSA-N 0 0 191.230 1.584 10 0 ADAERN CC[C@H](O)C(C)(C)F 114805286 573122712 /nfs/dbraw/zinc/12/27/12/573122712.db2.gz LQMAGZIWFASHJM-YFKPBYRVSA-N 0 0 120.167 1.505 10 0 ADAERN C1C[NH2+][C@H]([C@H]2CCSC2)OC1 258234807 573122759 /nfs/dbraw/zinc/12/27/59/573122759.db2.gz YZEBREJCPJIBFC-YUMQZZPRSA-N 0 0 173.281 1.076 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@@H](C)C(=O)[O-])o1 259334671 573122731 /nfs/dbraw/zinc/12/27/31/573122731.db2.gz LHQXRIOIBVGTTG-HTRCEHHLSA-N 0 0 183.207 1.309 10 0 ADAERN Cn1ccc2ccc(N)c(F)c21 257947014 573122737 /nfs/dbraw/zinc/12/27/37/573122737.db2.gz FAHJXRBSRHCICJ-UHFFFAOYSA-N 0 0 164.183 1.900 10 0 ADAERN COc1ccc(F)c(CCO)c1C 257947639 573122751 /nfs/dbraw/zinc/12/27/51/573122751.db2.gz AMIOBRLTFMECBN-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN CCSC(=O)[C@H](N)SCC 238288855 573122775 /nfs/dbraw/zinc/12/27/75/573122775.db2.gz DIOWKQLLJOLWOU-RXMQYKEDSA-N 0 0 179.310 1.304 10 0 ADAERN C[C@](O)(CCCO)c1ccc(F)cc1 259334327 573122804 /nfs/dbraw/zinc/12/28/04/573122804.db2.gz OSRUUQVWZBNNIV-NSHDSACASA-N 0 0 198.237 1.806 10 0 ADAERN CCSC1=C(Cl)C(=O)O[C@@H]1O 238280582 573122824 /nfs/dbraw/zinc/12/28/24/573122824.db2.gz HXBSKCSADCPSPQ-LURJTMIESA-N 0 0 194.639 1.065 10 0 ADAERN Cc1nc(-c2ccncc2Cl)n[nH]1 85704525 573122831 /nfs/dbraw/zinc/12/28/31/573122831.db2.gz MEMWSRYHTWQSQA-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN CC(=O)C(C(C)=O)[Si](C)(C)C 198677698 573122833 /nfs/dbraw/zinc/12/28/33/573122833.db2.gz IQJUZYLGDFLYKD-UHFFFAOYSA-N 0 0 172.300 1.873 10 0 ADAERN Cc1nn(C)c2c(N)ccc(F)c12 259334610 573122851 /nfs/dbraw/zinc/12/28/51/573122851.db2.gz GVBZZXTXIWHOQJ-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN O=C1[C@@H]2C[C@@H]2CN1C1CCC1 257948553 573122877 /nfs/dbraw/zinc/12/28/77/573122877.db2.gz LLBOXWJWJLHNCP-HTRCEHHLSA-N 0 0 151.209 1.017 10 0 ADAERN CC[C@@H]1N[C@@H](C(C)(C)C)N=C1OC 238288667 573122902 /nfs/dbraw/zinc/12/29/02/573122902.db2.gz QLOZWUABWLGELG-IONNQARKSA-N 0 0 184.283 1.785 10 0 ADAERN COc1cc(F)cc(F)c1CON 257947622 573122904 /nfs/dbraw/zinc/12/29/04/573122904.db2.gz ALZWKFNOYGAGON-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN COCc1cccc(C[C@@H](C)O)c1F 257947802 573122925 /nfs/dbraw/zinc/12/29/25/573122925.db2.gz AQEHSURYUQIOFE-MRVPVSSYSA-N 0 0 198.237 1.895 10 0 ADAERN COC(=O)c1c(C(C)C)nc(C)n1O 259335109 573122978 /nfs/dbraw/zinc/12/29/78/573122978.db2.gz DVXNENQFOLFVNP-UHFFFAOYSA-N 0 0 198.222 1.339 10 0 ADAERN CC[C@@H]1C[C@@](C)([C@@H](C)O)OC1=O 238280922 573122986 /nfs/dbraw/zinc/12/29/86/573122986.db2.gz LSMQVDOUCAXWGB-BHNWBGBOSA-N 0 0 172.224 1.099 10 0 ADAERN Cc1nnc(Cl)nc1Cl 114819842 573122992 /nfs/dbraw/zinc/12/29/92/573122992.db2.gz ADWWENDBNKSQLS-UHFFFAOYSA-N 0 0 163.995 1.487 10 0 ADAERN C[C@@H](N)c1nc([C@@H]2CCCCO2)no1 257947913 573123000 /nfs/dbraw/zinc/12/30/00/573123000.db2.gz ILSFDZDJIYCYSQ-RQJHMYQMSA-N 0 0 197.238 1.331 10 0 ADAERN CCCCCC[C@@H](O)COCCO 143736691 573123006 /nfs/dbraw/zinc/12/30/06/573123006.db2.gz JINYDRJPPUUUIJ-SNVBAGLBSA-N 0 0 190.283 1.327 10 0 ADAERN OCCCOc1ccnc(Cl)c1 82605484 573123037 /nfs/dbraw/zinc/12/30/37/573123037.db2.gz NSCYQUNWSVVWNR-UHFFFAOYSA-N 0 0 187.626 1.496 10 0 ADAERN C/C(=C\C(=O)[O-])C[N@@H+]1CCCC1(C)C 82604834 573123055 /nfs/dbraw/zinc/12/30/55/573123055.db2.gz UIPOQAHJOADCKI-VQHVLOKHSA-N 0 0 197.278 1.892 10 0 ADAERN C[C@@H](O)[C@H]1CNc2cccc(F)c21 257948273 573123080 /nfs/dbraw/zinc/12/30/80/573123080.db2.gz FARCITNIZLANBZ-RNFRBKRXSA-N 0 0 181.210 1.716 10 0 ADAERN COCc1c(OC)cccc1[C@H](C)O 257947650 573123095 /nfs/dbraw/zinc/12/30/95/573123095.db2.gz AMMPOVDXQVGZEE-QMMMGPOBSA-N 0 0 196.246 1.895 10 0 ADAERN Clc1cc(-n2cncn2)ccn1 82605651 573123098 /nfs/dbraw/zinc/12/30/98/573123098.db2.gz CSCDTLAWQGOPOS-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN CN(C)c1ccccc1CCON 257946975 573123103 /nfs/dbraw/zinc/12/31/03/573123103.db2.gz DZNWULHKRWGHKK-UHFFFAOYSA-N 0 0 180.251 1.185 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1[NH2+]C1CCCCCC1 259337356 573124509 /nfs/dbraw/zinc/12/45/09/573124509.db2.gz SBPSFTLAVQUQNA-ZJUUUORDSA-N 0 0 197.278 1.772 10 0 ADAERN CN[C@@H](c1ccccc1OC)N(C)C 259337167 573123164 /nfs/dbraw/zinc/12/31/64/573123164.db2.gz FBDRHASDIJKVTR-LLVKDONJSA-N 0 0 194.278 1.475 10 0 ADAERN CC[C@@H]1C[C@@](C)(C(C)=O)C(=O)O1 238280826 573123174 /nfs/dbraw/zinc/12/31/74/573123174.db2.gz DTIRQNWYXVANOB-APPZFPTMSA-N 0 0 170.208 1.307 10 0 ADAERN C[C@H](CO)Sc1ccc(N)c(N)c1 235477554 573123176 /nfs/dbraw/zinc/12/31/76/573123176.db2.gz ZXLOUCJCLNRMED-ZCFIWIBFSA-N 0 0 198.291 1.324 10 0 ADAERN OCc1cnoc1-c1cccc(O)c1 259336275 573123179 /nfs/dbraw/zinc/12/31/79/573123179.db2.gz SSLJYKAVRMHDLW-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CC(C)[C@@H]1C[C@@H](C)[NH2+][C@H]1CCC(=O)[O-] 308274059 573123181 /nfs/dbraw/zinc/12/31/81/573123181.db2.gz JHIWVPMWXQPBRH-UTLUCORTSA-N 0 0 199.294 1.874 10 0 ADAERN CO[C@@H]1CCc2cc(O)ccc2C1 257947670 573123191 /nfs/dbraw/zinc/12/31/91/573123191.db2.gz VVORGDVSNRUPRF-LLVKDONJSA-N 0 0 178.231 1.896 10 0 ADAERN CC(=O)c1ccc(=O)n(C(C)C)c1 144095667 573123211 /nfs/dbraw/zinc/12/32/11/573123211.db2.gz SYFVRABDAHRSFH-UHFFFAOYSA-N 0 0 179.219 1.632 10 0 ADAERN CNC=C(C)C(=O)C(C)(C)C 395356483 573123219 /nfs/dbraw/zinc/12/32/19/573123219.db2.gz FBXBISDTPFDNDH-VOTSOKGWSA-N 0 0 155.241 1.725 10 0 ADAERN CCOC(=O)N[C@@H]1CCC=CO1 238280430 573123223 /nfs/dbraw/zinc/12/32/23/573123223.db2.gz NRRYWYVDSVYOBY-ZETCQYMHSA-N 0 0 171.196 1.383 10 0 ADAERN COc1ccc(C)c(C)c1CNO 257947087 573123232 /nfs/dbraw/zinc/12/32/32/573123232.db2.gz FCRIYHWUROUMRF-UHFFFAOYSA-N 0 0 181.235 1.791 10 0 ADAERN CC[C@@H]1C[C@H]2C(=O)CCC(=O)[C@@H]12 238280797 573123241 /nfs/dbraw/zinc/12/32/41/573123241.db2.gz LULBQTULRNXZMO-FWWHASMVSA-N 0 0 166.220 1.581 10 0 ADAERN Cc1ncccc1N[C@H](C)C(C)(C)O 85711965 573123251 /nfs/dbraw/zinc/12/32/51/573123251.db2.gz TURSCJHZJNVTFZ-SECBINFHSA-N 0 0 194.278 1.961 10 0 ADAERN OC[C@H]1CCC2CC[C@H](CO)CC2C1 114805511 573123272 /nfs/dbraw/zinc/12/32/72/573123272.db2.gz GEEFIHIRFHHFJB-JYBOHDQNSA-N 0 0 198.306 1.804 10 0 ADAERN CO[C@H](C)C(=O)OCC1(C)CCC1 308274828 573123295 /nfs/dbraw/zinc/12/32/95/573123295.db2.gz UXFNVLKJSRKVMR-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN Nc1ccccc1NC1(CO)CC1 123675382 573123300 /nfs/dbraw/zinc/12/33/00/573123300.db2.gz HCGWHAAICCVBEM-UHFFFAOYSA-N 0 0 178.235 1.206 10 0 ADAERN O[C@@H](C1CCC1)C(F)(F)F 85703228 573123320 /nfs/dbraw/zinc/12/33/20/573123320.db2.gz TWHKXEJOKZZYTK-YFKPBYRVSA-N 0 0 154.131 1.710 10 0 ADAERN CCC[C@H]1CO[C@@H](CO)C1 238280809 573123321 /nfs/dbraw/zinc/12/33/21/573123321.db2.gz IMIZPWQHTVHOMK-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN CC[C@@]1(OCCO)C[C@H]1C 238281115 573123336 /nfs/dbraw/zinc/12/33/36/573123336.db2.gz BNKUWYOQSSCKTH-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1cc(N)ccc1NC1(CO)CC1 123674953 573123365 /nfs/dbraw/zinc/12/33/65/573123365.db2.gz UESNDWLLVHQCJH-UHFFFAOYSA-N 0 0 192.262 1.514 10 0 ADAERN COc1cc(C)c(OC)c(CON)c1 257947740 573123369 /nfs/dbraw/zinc/12/33/69/573123369.db2.gz AOOKTJCKXWMNPY-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN CO[C@H]1CCc2cc(O)ccc2C1 257947673 573123414 /nfs/dbraw/zinc/12/34/14/573123414.db2.gz VVORGDVSNRUPRF-NSHDSACASA-N 0 0 178.231 1.896 10 0 ADAERN CCn1nc2c(c1NC)CCCC2 238280788 573123438 /nfs/dbraw/zinc/12/34/38/573123438.db2.gz FRBLLCORRZKDPQ-UHFFFAOYSA-N 0 0 179.267 1.824 10 0 ADAERN Cc1cc2c(cc1O)CCC(=O)N2 257948140 573123440 /nfs/dbraw/zinc/12/34/40/573123440.db2.gz RWFGBWLEESVVLA-UHFFFAOYSA-N 0 0 177.203 1.585 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@H](C)C(=O)[O-])o1 259334675 573123441 /nfs/dbraw/zinc/12/34/41/573123441.db2.gz LHQXRIOIBVGTTG-POYBYMJQSA-N 0 0 183.207 1.309 10 0 ADAERN CC(=O)C(CF)CF 257947073 573123457 /nfs/dbraw/zinc/12/34/57/573123457.db2.gz FCCUIYIYSXWMIC-UHFFFAOYSA-N 0 0 122.114 1.131 10 0 ADAERN Cc1cn(-c2ccc(N)nc2F)cn1 114826573 573123481 /nfs/dbraw/zinc/12/34/81/573123481.db2.gz UYUXIOVJXOPZOP-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC[C@@H](O)CC[C@@H](C)CO 114816965 573123495 /nfs/dbraw/zinc/12/34/95/573123495.db2.gz KQZLLXRPZSRICO-HTQZYQBOSA-N 0 0 146.230 1.166 10 0 ADAERN Cc1cnc(N2CCCC2)o1 257946737 573123500 /nfs/dbraw/zinc/12/35/00/573123500.db2.gz WJKNUFWBRLFIAD-UHFFFAOYSA-N 0 0 152.197 1.583 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1[NH2+]C1CCCCCC1 259337346 573123501 /nfs/dbraw/zinc/12/35/01/573123501.db2.gz SBPSFTLAVQUQNA-UWVGGRQHSA-N 0 0 197.278 1.772 10 0 ADAERN COc1cccc(C[C@H](C)O)c1C 257949004 573123514 /nfs/dbraw/zinc/12/35/14/573123514.db2.gz FLIWRNNEFHVDDQ-QMMMGPOBSA-N 0 0 180.247 1.927 10 0 ADAERN CCS[C@@H](N)C(F)(F)F 238288911 573123515 /nfs/dbraw/zinc/12/35/15/573123515.db2.gz VRWSJFPYANELEG-GSVOUGTGSA-N 0 0 159.176 1.587 10 0 ADAERN CCc1cc(CO)c(C)cc1O 257947098 573123541 /nfs/dbraw/zinc/12/35/41/573123541.db2.gz FCXLEQZKZMASMD-UHFFFAOYSA-N 0 0 166.220 1.755 10 0 ADAERN C[C@H]1C[C@H](O)CC(C)(C)[C@@H]1O 144088435 573123557 /nfs/dbraw/zinc/12/35/57/573123557.db2.gz KHLQLWSWTQPNSB-BIIVOSGPSA-N 0 0 158.241 1.164 10 0 ADAERN Cc1ncccc1N[C@@H](C)C(C)(C)O 85711962 573123560 /nfs/dbraw/zinc/12/35/60/573123560.db2.gz TURSCJHZJNVTFZ-VIFPVBQESA-N 0 0 194.278 1.961 10 0 ADAERN CC[C@H]1CC2(C)CC1(C(N)=O)C2 238288807 573123561 /nfs/dbraw/zinc/12/35/61/573123561.db2.gz AYFLLHNMWFUONM-WFRXLMHJSA-N 0 0 167.252 1.688 10 0 ADAERN OC[C@H]1CC[C@@H](CO)[C@@H]2CCCC[C@@H]12 114805426 573123569 /nfs/dbraw/zinc/12/35/69/573123569.db2.gz ONSINKBKYYXACY-USZNOCQGSA-N 0 0 198.306 1.804 10 0 ADAERN CCn1nc(-c2ccc[nH]2)ccc1=O 238280526 573123571 /nfs/dbraw/zinc/12/35/71/573123571.db2.gz GINMGVJFCYTROG-UHFFFAOYSA-N 0 0 189.218 1.258 10 0 ADAERN Cc1cc(CC(C)C)nc(CO)n1 259334095 573123595 /nfs/dbraw/zinc/12/35/95/573123595.db2.gz PFAGTYDOSBJXCT-UHFFFAOYSA-N 0 0 180.251 1.476 10 0 ADAERN CCO[C@H](C)C[C@@H](O)CC 238280583 573123646 /nfs/dbraw/zinc/12/36/46/573123646.db2.gz IXKWCKFZZHQRGH-SFYZADRCSA-N 0 0 146.230 1.572 10 0 ADAERN COCc1cc(CON)ccc1F 257947682 573123688 /nfs/dbraw/zinc/12/36/88/573123688.db2.gz ANLKTZQOSAYAOO-UHFFFAOYSA-N 0 0 185.198 1.362 10 0 ADAERN CCCC[C@H](F)C(N)=O 104653858 573123696 /nfs/dbraw/zinc/12/36/96/573123696.db2.gz GCKYPACATOQNTJ-YFKPBYRVSA-N 0 0 133.166 1.000 10 0 ADAERN COc1ccc(F)c(C)c1CON 257947796 573123729 /nfs/dbraw/zinc/12/37/29/573123729.db2.gz AQCLHBUVJXWRGE-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN C[C@@H](CCO)Cn1cccc1 123676442 573123749 /nfs/dbraw/zinc/12/37/49/573123749.db2.gz MBESIEAWGDLVNB-VIFPVBQESA-N 0 0 153.225 1.507 10 0 ADAERN C[C@H]1c2ccc(O)cc2CC[C@@H]1O 259337729 573123766 /nfs/dbraw/zinc/12/37/66/573123766.db2.gz OXOIHFJICIFWJY-CPCISQLKSA-N 0 0 178.231 1.803 10 0 ADAERN O[C@H](c1ccncn1)C(F)(F)F 85703178 573123795 /nfs/dbraw/zinc/12/37/95/573123795.db2.gz FXHWNYNAWIJKTG-RXMQYKEDSA-N 0 0 178.113 1.072 10 0 ADAERN CN(C(=O)/C=C\C1CC1)C1CCC1 308268659 573123801 /nfs/dbraw/zinc/12/38/01/573123801.db2.gz QXMQOZJOTOSECW-FPLPWBNLSA-N 0 0 179.263 1.964 10 0 ADAERN CC(C)n1cc(N)[nH]c1=S 257948212 573123819 /nfs/dbraw/zinc/12/38/19/573123819.db2.gz WNUVFCKEZDZAPO-UHFFFAOYSA-N 0 0 157.242 1.335 10 0 ADAERN CC(C)OC(=O)CN1CCC1(C)C 308274466 573123844 /nfs/dbraw/zinc/12/38/44/573123844.db2.gz UOZDNGXXDNGKIO-UHFFFAOYSA-N 0 0 185.267 1.422 10 0 ADAERN C1COC(CCOCC2CC2)OC1 85706045 573123846 /nfs/dbraw/zinc/12/38/46/573123846.db2.gz CVBDLWHNWOMICE-UHFFFAOYSA-N 0 0 186.251 1.566 10 0 ADAERN CCOC(=O)/C=C/c1[nH]ccc1OC 308268756 573123902 /nfs/dbraw/zinc/12/39/02/573123902.db2.gz OMKXZOIOLHXCOQ-SNAWJCMRSA-N 0 0 195.218 1.600 10 0 ADAERN CNC(=O)c1c(Cl)cc(C)nc1C 114807891 573123927 /nfs/dbraw/zinc/12/39/27/573123927.db2.gz RZXWMNFQTVQCMT-UHFFFAOYSA-N 0 0 198.653 1.711 10 0 ADAERN CC[C@H]1C=C2COC[C@@H]2CC1=O 238288750 573123956 /nfs/dbraw/zinc/12/39/56/573123956.db2.gz VZAFMSYAPPGDKF-CBAPKCEASA-N 0 0 166.220 1.558 10 0 ADAERN CC(C)(O)C1(c2ccccc2)COC1 258531123 573123989 /nfs/dbraw/zinc/12/39/89/573123989.db2.gz IKOWBNSKGBNZPP-UHFFFAOYSA-N 0 0 192.258 1.726 10 0 ADAERN CC(=O)C[C@H](O)c1ccc(O)cc1 224836288 573124038 /nfs/dbraw/zinc/12/40/38/573124038.db2.gz OWSFIUZTKKLFFF-JTQLQIEISA-N 0 0 180.203 1.405 10 0 ADAERN C[C@@H](CC[N@@H+]1CCCC[C@H]1C)C(=O)[O-] 308274649 573124117 /nfs/dbraw/zinc/12/41/17/573124117.db2.gz KOOSGOILPIHSOQ-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CN(C)c1nc(Cl)c2occc2n1 238288599 573124120 /nfs/dbraw/zinc/12/41/20/573124120.db2.gz MYZJHBAPUYVPSW-UHFFFAOYSA-N 0 0 197.625 1.942 10 0 ADAERN COc1cc2c(cn1)[C@H](O)CC2 144086249 573124126 /nfs/dbraw/zinc/12/41/26/573124126.db2.gz KKUDWBVNMCSISW-MRVPVSSYSA-N 0 0 165.192 1.070 10 0 ADAERN CC(C)C[C@@H](/C=C/C(=O)[O-])[NH+](C)C 259337215 573124140 /nfs/dbraw/zinc/12/41/40/573124140.db2.gz FBJLERFIDQZWBF-VUHVRTRXSA-N 0 0 185.267 1.604 10 0 ADAERN Cc1cc(C)nc(CC[C@@H](C)O)n1 642845823 573124154 /nfs/dbraw/zinc/12/41/54/573124154.db2.gz CUCQFUONQKBVSK-SECBINFHSA-N 0 0 180.251 1.556 10 0 ADAERN CCC1([C@@H]([NH2+]C2CC2)C(=O)[O-])CCC1 686134190 573124165 /nfs/dbraw/zinc/12/41/65/573124165.db2.gz VMJSQKZNGMSLMV-VIFPVBQESA-N 0 0 197.278 1.772 10 0 ADAERN CCOCC(=O)C1(OC)CCCC1 128752170 573124189 /nfs/dbraw/zinc/12/41/89/573124189.db2.gz JOGKPSYHJPJKMJ-UHFFFAOYSA-N 0 0 186.251 1.551 10 0 ADAERN Cc1ccnn1CCC1OCCCO1 85705964 573124240 /nfs/dbraw/zinc/12/42/40/573124240.db2.gz LGKGDWGITGBWSA-UHFFFAOYSA-N 0 0 196.250 1.345 10 0 ADAERN CCc1nccn1-c1ncc(C)cn1 82615632 573125396 /nfs/dbraw/zinc/12/53/96/573125396.db2.gz IBJMSVUSLLPCAL-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN CC[C@H](O)CC[C@H](C)CO 114816970 573124321 /nfs/dbraw/zinc/12/43/21/573124321.db2.gz KQZLLXRPZSRICO-YUMQZZPRSA-N 0 0 146.230 1.166 10 0 ADAERN CC(C)(C)SC(N)=S 104651602 573124378 /nfs/dbraw/zinc/12/43/78/573124378.db2.gz BCFBJPKSGZNRSE-UHFFFAOYSA-N 0 0 149.284 1.762 10 0 ADAERN CCOc1cccc(-n2ccnc2)n1 82615583 573125407 /nfs/dbraw/zinc/12/54/07/573125407.db2.gz WHULTZGMHNVJQC-UHFFFAOYSA-N 0 0 189.218 1.666 10 0 ADAERN N#CN(CCO)C1CCCCC1 144089010 573124389 /nfs/dbraw/zinc/12/43/89/573124389.db2.gz MZRJGJKYBIVUNJ-UHFFFAOYSA-N 0 0 168.240 1.094 10 0 ADAERN C=C1NC(=O)C(CC)=C1C 238288732 573124393 /nfs/dbraw/zinc/12/43/93/573124393.db2.gz CFLIKCQZTHSWGF-UHFFFAOYSA-N 0 0 137.182 1.356 10 0 ADAERN CC[C@@H]1C[C@@](C)(CC)NC(=O)N1 238280893 573124403 /nfs/dbraw/zinc/12/44/03/573124403.db2.gz UPMSUMXYHXOHRF-VXNVDRBHSA-N 0 0 170.256 1.637 10 0 ADAERN Cc1ncccc1NCc1cnco1 85711740 573124481 /nfs/dbraw/zinc/12/44/81/573124481.db2.gz ILIPTBGHBHGSEH-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN CO[C@@H](C)C(=O)OCC1(C)CCC1 308274829 573124487 /nfs/dbraw/zinc/12/44/87/573124487.db2.gz UXFNVLKJSRKVMR-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN C#CCN(C)C(=O)[C@@H]1C[C@@H]1CC 387523000 573125442 /nfs/dbraw/zinc/12/54/42/573125442.db2.gz AJTZWIROSSQHGZ-DTWKUNHWSA-N 0 0 165.236 1.124 10 0 ADAERN N#CNc1ccc(-c2cc[nH]c2)nn1 259335517 573124516 /nfs/dbraw/zinc/12/45/16/573124516.db2.gz QLPHIDCXTDRWNR-UHFFFAOYSA-N 0 0 185.190 1.365 10 0 ADAERN Nc1cnn2c1CCCCC2 258530752 573124519 /nfs/dbraw/zinc/12/45/19/573124519.db2.gz NHXRLHKHCDKZSL-UHFFFAOYSA-N 0 0 151.213 1.192 10 0 ADAERN C[C@@H](CO)CNc1cccc(F)n1 88394250 573124524 /nfs/dbraw/zinc/12/45/24/573124524.db2.gz RNFUTDMECIPJKN-SSDOTTSWSA-N 0 0 184.214 1.261 10 0 ADAERN Cc1cc(C)n(Cc2ncccn2)n1 82615100 573124538 /nfs/dbraw/zinc/12/45/38/573124538.db2.gz LDKLRCKPVOQOOH-UHFFFAOYSA-N 0 0 188.234 1.338 10 0 ADAERN CC(=O)COC(=O)/C=C\C1CCC1 308274508 573124548 /nfs/dbraw/zinc/12/45/48/573124548.db2.gz URROSRUSXKQTKS-WAYWQWQTSA-N 0 0 182.219 1.475 10 0 ADAERN C/C=C(\C(=O)OC)[C@H](O)CCCC 225194224 573124557 /nfs/dbraw/zinc/12/45/57/573124557.db2.gz CZVLTKIOYQULKQ-BZJXQOFCSA-N 0 0 186.251 1.657 10 0 ADAERN c1cncc(CCn2cccn2)c1 82615053 573124573 /nfs/dbraw/zinc/12/45/73/573124573.db2.gz JLTLCPFJDIHDKX-UHFFFAOYSA-N 0 0 173.219 1.521 10 0 ADAERN Nc1c(-c2ccco2)cnnc1Cl 257949453 573124596 /nfs/dbraw/zinc/12/45/96/573124596.db2.gz MEXQPKPTHFQGIV-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN C[C@@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)C(=O)[O-] 88425568 573124600 /nfs/dbraw/zinc/12/46/00/573124600.db2.gz SMBJMFPENLOEPI-LURQLKTLSA-N 0 0 181.235 1.014 10 0 ADAERN CCS(=O)(=O)c1ncc(C)s1 257950758 573124606 /nfs/dbraw/zinc/12/46/06/573124606.db2.gz WYUKZHIHAYQBIN-UHFFFAOYSA-N 0 0 191.277 1.245 10 0 ADAERN CCn1cc(Cn2ccnc2)cn1 82615224 573124608 /nfs/dbraw/zinc/12/46/08/573124608.db2.gz TXLIVEFIAWPSBK-UHFFFAOYSA-N 0 0 176.223 1.148 10 0 ADAERN CC[C@H](C)Cn1cncn1 82615422 573124628 /nfs/dbraw/zinc/12/46/28/573124628.db2.gz QVEJOHSHAKGWQT-ZETCQYMHSA-N 0 0 139.202 1.324 10 0 ADAERN CCc1csc(-n2cccn2)n1 82615554 573124639 /nfs/dbraw/zinc/12/46/39/573124639.db2.gz SMTACGCPJDRFKQ-UHFFFAOYSA-N 0 0 179.248 1.891 10 0 ADAERN CCc1ccc(N)nc1C(C)=O 238281145 573124649 /nfs/dbraw/zinc/12/46/49/573124649.db2.gz DIQKRXAQOMYLKD-UHFFFAOYSA-N 0 0 164.208 1.429 10 0 ADAERN Cc1nccn1[C@@H](C)C(=O)NC(C)C 82615309 573124666 /nfs/dbraw/zinc/12/46/66/573124666.db2.gz GAARYCVHPPMPAE-QMMMGPOBSA-N 0 0 195.266 1.277 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)nnn2C 257949538 573124692 /nfs/dbraw/zinc/12/46/92/573124692.db2.gz ARZRYRROWXLMTA-SSDOTTSWSA-N 0 0 191.234 1.064 10 0 ADAERN CCOc1ccc(NC(=O)NO)cc1 238288845 573124695 /nfs/dbraw/zinc/12/46/95/573124695.db2.gz NHXITLYIPQLVDG-UHFFFAOYSA-N 0 0 196.206 1.596 10 0 ADAERN Nc1ccccc1NO 104651619 573124703 /nfs/dbraw/zinc/12/47/03/573124703.db2.gz ZQCANTYUTNGZOZ-UHFFFAOYSA-N 0 0 124.143 1.070 10 0 ADAERN c1cnc(Cn2cccc2)nc1 82615195 573124705 /nfs/dbraw/zinc/12/47/05/573124705.db2.gz VQDQFAJAXNZFEK-UHFFFAOYSA-N 0 0 159.192 1.326 10 0 ADAERN CCc1nccn1-c1nccc(C)n1 82615633 573124713 /nfs/dbraw/zinc/12/47/13/573124713.db2.gz DFIGJBGJTUURFT-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN Cc1nccn1[C@@H]1CCCCNC1=O 82615259 573125421 /nfs/dbraw/zinc/12/54/21/573125421.db2.gz LGAVTTQNPWQBHP-SECBINFHSA-N 0 0 193.250 1.033 10 0 ADAERN CCn1nc(C2CC2)c2c(N)n[nH]c21 82613528 573124784 /nfs/dbraw/zinc/12/47/84/573124784.db2.gz FWJMTOOIBMYKEC-UHFFFAOYSA-N 0 0 191.238 1.239 10 0 ADAERN CCOc1ccc2c(=O)[nH]cnc2c1 238288901 573124833 /nfs/dbraw/zinc/12/48/33/573124833.db2.gz CMOXXPUEHBMKSI-UHFFFAOYSA-N 0 0 190.202 1.322 10 0 ADAERN C[C@H](O)C1(C)CC(F)(F)C1 642845779 573124835 /nfs/dbraw/zinc/12/48/35/573124835.db2.gz OHMSQUQRXQGAPG-YFKPBYRVSA-N 0 0 150.168 1.803 10 0 ADAERN Cc1cc(C)nc(CC[C@H](C)O)n1 642845824 573124842 /nfs/dbraw/zinc/12/48/42/573124842.db2.gz CUCQFUONQKBVSK-VIFPVBQESA-N 0 0 180.251 1.556 10 0 ADAERN c1ccn([C@@H]2CCOC2)c1 82615185 573124857 /nfs/dbraw/zinc/12/48/57/573124857.db2.gz IMKPCUZCKLADFA-MRVPVSSYSA-N 0 0 137.182 1.450 10 0 ADAERN CCCc1cc(-n2ccnc2)ncn1 82615593 573124874 /nfs/dbraw/zinc/12/48/74/573124874.db2.gz SXICHOCWJYXEQA-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN CCn1c(C=O)cc(C(C)=O)c1C 238288724 573124891 /nfs/dbraw/zinc/12/48/91/573124891.db2.gz XPGJWWRLZAVJAH-UHFFFAOYSA-N 0 0 179.219 1.832 10 0 ADAERN COCc1cc2cccc(N)c2[nH]1 257950677 573124904 /nfs/dbraw/zinc/12/49/04/573124904.db2.gz WWXGWLASYSHMBF-UHFFFAOYSA-N 0 0 176.219 1.897 10 0 ADAERN CC(C)c1cc(-n2cccn2)ncn1 82615567 573124908 /nfs/dbraw/zinc/12/49/08/573124908.db2.gz NNRSTRLUMGUVJT-UHFFFAOYSA-N 0 0 188.234 1.786 10 0 ADAERN c1ncn(Cc2ccsc2)n1 82615509 573124930 /nfs/dbraw/zinc/12/49/30/573124930.db2.gz WVPOMZOYACOOOZ-UHFFFAOYSA-N 0 0 165.221 1.388 10 0 ADAERN C[C@@]1(CC(=O)[O-])CC[N@@H+](C2CC2)C1 259335467 573124936 /nfs/dbraw/zinc/12/49/36/573124936.db2.gz IZQZWGBCTTUDPV-JTQLQIEISA-N 0 0 183.251 1.336 10 0 ADAERN CCC[C@H]1CO[C@H](CO)C1 238280857 573124950 /nfs/dbraw/zinc/12/49/50/573124950.db2.gz IMIZPWQHTVHOMK-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN OC[C@@H]1CCC2CC[C@@H](CO)CC2C1 114805507 573124967 /nfs/dbraw/zinc/12/49/67/573124967.db2.gz GEEFIHIRFHHFJB-QYNFOATHSA-N 0 0 198.306 1.804 10 0 ADAERN CSc1nc2ccccn2c1C=O 82612920 573124978 /nfs/dbraw/zinc/12/49/78/573124978.db2.gz YDGDSUZUUPMJPC-UHFFFAOYSA-N 0 0 192.243 1.869 10 0 ADAERN CC[C@H]1C=C2COC[C@H]2CC1=O 238288756 573125000 /nfs/dbraw/zinc/12/50/00/573125000.db2.gz VZAFMSYAPPGDKF-IONNQARKSA-N 0 0 166.220 1.558 10 0 ADAERN Cn1[nH]c(=O)c2cccc(Cl)c21 257950518 573125454 /nfs/dbraw/zinc/12/54/54/573125454.db2.gz WDENZWXXQHSDEF-UHFFFAOYSA-N 0 0 182.610 1.520 10 0 ADAERN Cc1cnccc1/C=C\[C@H](C)O 395350527 573125038 /nfs/dbraw/zinc/12/50/38/573125038.db2.gz DSQUYNVHGDBBTB-TYRPZCRBSA-N 0 0 163.220 1.784 10 0 ADAERN C[C@H](O)C[C@@H](C)N[C@@H](C)C(F)(F)F 308270021 573125074 /nfs/dbraw/zinc/12/50/74/573125074.db2.gz RNFJHGDAFLAKAL-VQVTYTSYSA-N 0 0 199.216 1.686 10 0 ADAERN Fc1ccc2c(c1)nc1n2CCOC1 198672879 573125075 /nfs/dbraw/zinc/12/50/75/573125075.db2.gz DLHGFRNGJTVXBZ-UHFFFAOYSA-N 0 0 192.193 1.706 10 0 ADAERN CCC[C@H](C)Cn1cncn1 82615485 573125188 /nfs/dbraw/zinc/12/51/88/573125188.db2.gz LVOQEYHBGPFLPW-QMMMGPOBSA-N 0 0 153.229 1.714 10 0 ADAERN Cc1noc2c(CON)cccc12 257950155 573125095 /nfs/dbraw/zinc/12/50/95/573125095.db2.gz FOKKNUMFJCLACL-UHFFFAOYSA-N 0 0 178.191 1.527 10 0 ADAERN Cc1ccc(-n2ccnc2C)nc1 82615607 573125098 /nfs/dbraw/zinc/12/50/98/573125098.db2.gz HZRIBHFBQXHXSF-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN Cc1ncccc1N1CCC(=O)CC1 85727994 573125102 /nfs/dbraw/zinc/12/51/02/573125102.db2.gz IIPWICXBVVPPJW-UHFFFAOYSA-N 0 0 190.246 1.559 10 0 ADAERN Nc1c(O)cccc1[C@H](O)C1CC1 257950615 573125103 /nfs/dbraw/zinc/12/51/03/573125103.db2.gz WEPWEVPGRIPMCE-SNVBAGLBSA-N 0 0 179.219 1.418 10 0 ADAERN CC(C)=CCn1cccn1 82614995 573125156 /nfs/dbraw/zinc/12/51/56/573125156.db2.gz JWPLKSKCYKLVMV-UHFFFAOYSA-N 0 0 136.198 1.849 10 0 ADAERN Cn1nc(C(C)(C)C)c2c(N)n[nH]c21 82613497 573125159 /nfs/dbraw/zinc/12/51/59/573125159.db2.gz JEVVNJSZZORMRZ-UHFFFAOYSA-N 0 0 193.254 1.176 10 0 ADAERN c1cnn(Cc2cscn2)c1 82615060 573125172 /nfs/dbraw/zinc/12/51/72/573125172.db2.gz XOZVQGWRHNKOGI-UHFFFAOYSA-N 0 0 165.221 1.388 10 0 ADAERN C[C@@H](O)c1sccc1N 104654545 573125176 /nfs/dbraw/zinc/12/51/76/573125176.db2.gz NSVVJAJNZNDTMT-SCSAIBSYSA-N 0 0 143.211 1.384 10 0 ADAERN O=C1OCC[C@@H](CO)N1C1CCCC1 259336050 573125185 /nfs/dbraw/zinc/12/51/85/573125185.db2.gz NPPYCKMKIOWNBX-VIFPVBQESA-N 0 0 199.250 1.132 10 0 ADAERN CCC[C@H]1C[C@@H](C(C)=O)OC1=O 238280989 573125191 /nfs/dbraw/zinc/12/51/91/573125191.db2.gz PICYRWRJBGEQHW-YUMQZZPRSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1nn(C(C)(C)C)c2[nH]nc(N)c12 82613511 573125196 /nfs/dbraw/zinc/12/51/96/573125196.db2.gz ONMASKYMMNUHPN-UHFFFAOYSA-N 0 0 193.254 1.405 10 0 ADAERN c1ccn(Cc2nc(C3CC3)no2)c1 82615187 573125201 /nfs/dbraw/zinc/12/52/01/573125201.db2.gz HADCBHKLOWVWAO-UHFFFAOYSA-N 0 0 189.218 1.797 10 0 ADAERN Cc1cc(CNO)ccc1O 257949077 573125224 /nfs/dbraw/zinc/12/52/24/573125224.db2.gz FMSFSVUFZJTXEZ-UHFFFAOYSA-N 0 0 153.181 1.179 10 0 ADAERN CCn1ccnc1Cn1cccn1 82615067 573125229 /nfs/dbraw/zinc/12/52/29/573125229.db2.gz SRVZRQDKHPLJQD-UHFFFAOYSA-N 0 0 176.223 1.148 10 0 ADAERN CCc1ccc2c(c1)N[C@H](CO)C2 238288835 573125240 /nfs/dbraw/zinc/12/52/40/573125240.db2.gz IJIHIVMDHHHWQX-JTQLQIEISA-N 0 0 177.247 1.578 10 0 ADAERN CCc1nccn1-c1cccnn1 82615642 573125251 /nfs/dbraw/zinc/12/52/51/573125251.db2.gz SCUHKQHKEJNRHT-UHFFFAOYSA-N 0 0 174.207 1.225 10 0 ADAERN CC(C)(C)OC(=O)[C@@H](N)CC(F)F 123671606 573125252 /nfs/dbraw/zinc/12/52/52/573125252.db2.gz FDTUCYWUSSJLKX-YFKPBYRVSA-N 0 0 195.209 1.311 10 0 ADAERN Cc1cccc2c1OC(=O)[C@@H](C)N2 259336046 573125256 /nfs/dbraw/zinc/12/52/56/573125256.db2.gz SRSRTTNJBOENAR-SSDOTTSWSA-N 0 0 177.203 1.714 10 0 ADAERN CC[C@@H](C)Cn1cccn1 82615021 573125270 /nfs/dbraw/zinc/12/52/70/573125270.db2.gz VVGKMELBRVABMY-MRVPVSSYSA-N 0 0 138.214 1.929 10 0 ADAERN CCO[C@H](C)C[C@H](O)CC 238280786 573125271 /nfs/dbraw/zinc/12/52/71/573125271.db2.gz IXKWCKFZZHQRGH-HTQZYQBOSA-N 0 0 146.230 1.572 10 0 ADAERN Cc1ccc(-n2ccnc2)nc1 82615580 573125469 /nfs/dbraw/zinc/12/54/69/573125469.db2.gz IOMKBWUUGOEBRU-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN Clc1ccc(-n2ccnc2)nc1 82615582 573125301 /nfs/dbraw/zinc/12/53/01/573125301.db2.gz RHXUSQWQEZDYIY-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN COC(=O)[C@H](F)C[C@H]1CCCO1 257949343 573125328 /nfs/dbraw/zinc/12/53/28/573125328.db2.gz VZURXMILLKLOAR-RNFRBKRXSA-N 0 0 176.187 1.067 10 0 ADAERN CCOc1cccc(-n2cncn2)n1 82615671 573125339 /nfs/dbraw/zinc/12/53/39/573125339.db2.gz SEGGUHSGOGNLKZ-UHFFFAOYSA-N 0 0 190.206 1.061 10 0 ADAERN CCn1nc2c(c1N)CSC2 238281060 573125359 /nfs/dbraw/zinc/12/53/59/573125359.db2.gz AGUWYVBJYZUNIY-UHFFFAOYSA-N 0 0 169.253 1.232 10 0 ADAERN CC(C)c1nn(C)c2[nH]nc(N)c12 82613494 573125448 /nfs/dbraw/zinc/12/54/48/573125448.db2.gz BCPWUVVHZJQPSY-UHFFFAOYSA-N 0 0 179.227 1.002 10 0 ADAERN NOCCc1ccc2[nH]ccc2c1O 257954022 573125585 /nfs/dbraw/zinc/12/55/85/573125585.db2.gz BHUPNRPNGUEIKS-UHFFFAOYSA-N 0 0 192.218 1.306 10 0 ADAERN CCC[C@@H](C)Cn1cncn1 82615484 573127241 /nfs/dbraw/zinc/12/72/41/573127241.db2.gz LVOQEYHBGPFLPW-MRVPVSSYSA-N 0 0 153.229 1.714 10 0 ADAERN C[C@H](O)C[C@H](C)N[C@@H](C)C(F)(F)F 308270018 573125633 /nfs/dbraw/zinc/12/56/33/573125633.db2.gz RNFJHGDAFLAKAL-ACZMJKKPSA-N 0 0 199.216 1.686 10 0 ADAERN CSc1ccc(-n2ccnc2)nn1 585158715 573125649 /nfs/dbraw/zinc/12/56/49/573125649.db2.gz WAIPCZNQYUBZLB-UHFFFAOYSA-N 0 0 192.247 1.384 10 0 ADAERN C[C@@](O)(CCO)c1ccc(F)cc1 114822308 573125683 /nfs/dbraw/zinc/12/56/83/573125683.db2.gz JXBAPKLSSNMYGU-SNVBAGLBSA-N 0 0 184.210 1.416 10 0 ADAERN CCn1ccnc1-n1ccnc1 82615570 573125711 /nfs/dbraw/zinc/12/57/11/573125711.db2.gz BXQFXKTUFHSKOO-UHFFFAOYSA-N 0 0 162.196 1.089 10 0 ADAERN CCn1cc(Cn2ccnc2C)cn1 82615265 573128219 /nfs/dbraw/zinc/12/82/19/573128219.db2.gz NZMAHTJBYPJIRV-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN Cc1ncccc1N1CCC(=O)C1 85727990 573125769 /nfs/dbraw/zinc/12/57/69/573125769.db2.gz CGXMGKFNFWBLCX-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN Cc1nccn1-c1nccs1 82615614 573125786 /nfs/dbraw/zinc/12/57/86/573125786.db2.gz NWXXUEWHLWVRKW-UHFFFAOYSA-N 0 0 165.221 1.637 10 0 ADAERN c1csc(CCn2cncn2)c1 82615473 573125829 /nfs/dbraw/zinc/12/58/29/573125829.db2.gz PDECLQRLSFKRNE-UHFFFAOYSA-N 0 0 179.248 1.582 10 0 ADAERN Cc1nc(-c2cc(N)ccn2)no1 257950098 573125719 /nfs/dbraw/zinc/12/57/19/573125719.db2.gz FNOPOVUBBVEYIG-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN c1cnn(CCc2ccncc2)c1 82615030 573125740 /nfs/dbraw/zinc/12/57/40/573125740.db2.gz SCPCXHHSAATTAD-UHFFFAOYSA-N 0 0 173.219 1.521 10 0 ADAERN CCc1csc(-n2cncn2)n1 82615673 573125747 /nfs/dbraw/zinc/12/57/47/573125747.db2.gz NXOUZPGLWNGIEI-UHFFFAOYSA-N 0 0 180.236 1.286 10 0 ADAERN COc1ccc(CON)c(F)c1F 257949630 573125831 /nfs/dbraw/zinc/12/58/31/573125831.db2.gz AUHQJRCURONOCN-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN CCCC[C@@H](F)C(N)=O 104653863 573125837 /nfs/dbraw/zinc/12/58/37/573125837.db2.gz GCKYPACATOQNTJ-RXMQYKEDSA-N 0 0 133.166 1.000 10 0 ADAERN CC(C)(C)OC(=O)[C@H](N)CCF 123670920 573125854 /nfs/dbraw/zinc/12/58/54/573125854.db2.gz OUMNWHCMKSTYMF-ZCFIWIBFSA-N 0 0 177.219 1.015 10 0 ADAERN COc1cc(F)c(O)cc1CC(C)=O 257949646 573125858 /nfs/dbraw/zinc/12/58/58/573125858.db2.gz AUPTVZLGSMSOHU-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN Cc1nccn1[C@@H](C)C(=O)NC1CC1 82615289 573125863 /nfs/dbraw/zinc/12/58/63/573125863.db2.gz VQILWDCOYZVNLE-ZETCQYMHSA-N 0 0 193.250 1.031 10 0 ADAERN Cc1ccnc(-n2ccnc2C)c1 82615623 573125877 /nfs/dbraw/zinc/12/58/77/573125877.db2.gz XQXLNWYJOKBEPS-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CCCc1cc(-n2cncn2)ncn1 82615690 573128239 /nfs/dbraw/zinc/12/82/39/573128239.db2.gz UBDJXUNAJGRLJF-UHFFFAOYSA-N 0 0 189.222 1.010 10 0 ADAERN CC1CCC(CO)(CO)CC1 114802917 573125891 /nfs/dbraw/zinc/12/58/91/573125891.db2.gz CJKYGLPQXZFHBG-UHFFFAOYSA-N 0 0 158.241 1.168 10 0 ADAERN Cc1nccn1-c1ccc(F)cn1 82615602 573125897 /nfs/dbraw/zinc/12/58/97/573125897.db2.gz MVLLUFCJXGYALN-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN Cc1ncccc1N1CN=NC1=S 85728290 573125906 /nfs/dbraw/zinc/12/59/06/573125906.db2.gz UMAJOCCKLYFBMD-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN c1csc(Cn2cncn2)c1 82615463 573125911 /nfs/dbraw/zinc/12/59/11/573125911.db2.gz MRSRJYYDGVDOGH-UHFFFAOYSA-N 0 0 165.221 1.388 10 0 ADAERN Cc1ccc(CNO)c2c1OCO2 257950220 573125913 /nfs/dbraw/zinc/12/59/13/573125913.db2.gz FPDWEBHRZGHWIE-UHFFFAOYSA-N 0 0 181.191 1.203 10 0 ADAERN Cc1nccn1-c1ncccc1F 82615621 573125923 /nfs/dbraw/zinc/12/59/23/573125923.db2.gz UYFTVDVPZPCJDT-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN CC(C)C[C@H](/C=C/C(=O)[O-])[NH+](C)C 259337210 573125930 /nfs/dbraw/zinc/12/59/30/573125930.db2.gz FBJLERFIDQZWBF-CYNONHLPSA-N 0 0 185.267 1.604 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(OC)o1 238281615 573128248 /nfs/dbraw/zinc/12/82/48/573128248.db2.gz QYFGMMBDFJIBSA-ZCFIWIBFSA-N 0 0 155.197 1.698 10 0 ADAERN C[C@]1(CC(=O)[O-])CC[N@@H+](C2CC2)C1 259335473 573125970 /nfs/dbraw/zinc/12/59/70/573125970.db2.gz IZQZWGBCTTUDPV-SNVBAGLBSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H]1C[C@@H](O)CC(C)(C)[C@@H]1O 144088089 573125995 /nfs/dbraw/zinc/12/59/95/573125995.db2.gz KHLQLWSWTQPNSB-XLPZGREQSA-N 0 0 158.241 1.164 10 0 ADAERN CCc1cc(-n2cccn2)ncn1 82615562 573128249 /nfs/dbraw/zinc/12/82/49/573128249.db2.gz MJAXNYXAJOVPKL-UHFFFAOYSA-N 0 0 174.207 1.225 10 0 ADAERN COC(=O)c1onc(C)c1C(C)C 259335213 573126076 /nfs/dbraw/zinc/12/60/76/573126076.db2.gz DYASETNZOYFNJV-UHFFFAOYSA-N 0 0 183.207 1.893 10 0 ADAERN CCn1cc(Cn2cccc2)cn1 82615209 573126102 /nfs/dbraw/zinc/12/61/02/573126102.db2.gz QSDNKOSLPZZJLO-UHFFFAOYSA-N 0 0 175.235 1.753 10 0 ADAERN Cc1nc(Cn2cccc2)no1 82615169 573128333 /nfs/dbraw/zinc/12/83/33/573128333.db2.gz QSOFEHXIUKEZPP-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN CCSc1c(C=O)c(C)nn1C 82612278 573126122 /nfs/dbraw/zinc/12/61/22/573126122.db2.gz GQWBRIMYPFYNFF-UHFFFAOYSA-N 0 0 184.264 1.653 10 0 ADAERN CC[C@@H](O)[C@]1(Cl)CCCCC1=O 238281990 573128336 /nfs/dbraw/zinc/12/83/36/573128336.db2.gz RPXLPPIICHHDPN-VXNVDRBHSA-N 0 0 190.670 1.878 10 0 ADAERN Cc1nc([C@H](C)NC[C@@H](C)O)co1 308272560 573126162 /nfs/dbraw/zinc/12/61/62/573126162.db2.gz SVECVGFDDKSQEA-RQJHMYQMSA-N 0 0 184.239 1.014 10 0 ADAERN CCc1nccn1-c1ncccc1F 82615646 573126168 /nfs/dbraw/zinc/12/61/68/573126168.db2.gz HBRFYIKCLINWTM-UHFFFAOYSA-N 0 0 191.209 1.969 10 0 ADAERN CCOc1cccc(-n2cccn2)n1 82615552 573126183 /nfs/dbraw/zinc/12/61/83/573126183.db2.gz HWNRCABTTBFUOD-UHFFFAOYSA-N 0 0 189.218 1.666 10 0 ADAERN c1coc(Cn2cccn2)c1 82615061 573126206 /nfs/dbraw/zinc/12/62/06/573126206.db2.gz JBXPBXUWVIFQJK-UHFFFAOYSA-N 0 0 148.165 1.524 10 0 ADAERN CCSc1c(CO)c(C)nn1C 82616535 573126212 /nfs/dbraw/zinc/12/62/12/573126212.db2.gz KYEOSDKFKBHQMQ-UHFFFAOYSA-N 0 0 186.280 1.333 10 0 ADAERN OCc1ccc2c(cnn2C2CC2)c1 114816769 573126226 /nfs/dbraw/zinc/12/62/26/573126226.db2.gz NGAUNYNQVAPQSK-UHFFFAOYSA-N 0 0 188.230 1.864 10 0 ADAERN Nc1nc(-c2ccc[nH]2)co1 259334324 573126234 /nfs/dbraw/zinc/12/62/34/573126234.db2.gz YRDMOTLEESYEEP-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Cc1ccnc(-n2ccnc2C)n1 82615604 573126235 /nfs/dbraw/zinc/12/62/35/573126235.db2.gz SVWTXRSWUGAUFI-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CC(C)(C)OC(N)=S 104651597 573126263 /nfs/dbraw/zinc/12/62/63/573126263.db2.gz UADYIAKXZXQESY-UHFFFAOYSA-N 0 0 133.216 1.045 10 0 ADAERN C[C@H](O)CCC(=O)OCCC1CC1 308272214 573126273 /nfs/dbraw/zinc/12/62/73/573126273.db2.gz SLRWHQSRFMRFOS-QMMMGPOBSA-N 0 0 186.251 1.491 10 0 ADAERN C[C@H](CO)COC(=O)C1CCCC1 308277229 573126291 /nfs/dbraw/zinc/12/62/91/573126291.db2.gz VNZIOOUORPGQGM-MRVPVSSYSA-N 0 0 186.251 1.348 10 0 ADAERN Cc1nccn1[C@H](C)C(=O)NC1CC1 82615290 573126330 /nfs/dbraw/zinc/12/63/30/573126330.db2.gz VQILWDCOYZVNLE-SSDOTTSWSA-N 0 0 193.250 1.031 10 0 ADAERN COC(=O)[C@H](F)C[C@@H]1CCCO1 257949341 573126349 /nfs/dbraw/zinc/12/63/49/573126349.db2.gz VZURXMILLKLOAR-NKWVEPMBSA-N 0 0 176.187 1.067 10 0 ADAERN CC(C)CCn1cncn1 82615411 573126351 /nfs/dbraw/zinc/12/63/51/573126351.db2.gz AXWGQESDZNEZLZ-UHFFFAOYSA-N 0 0 139.202 1.324 10 0 ADAERN CSc1nc2sccn2c1C=O 82612909 573126374 /nfs/dbraw/zinc/12/63/74/573126374.db2.gz TYWPPVBPDGRVGH-UHFFFAOYSA-N 0 0 198.272 1.930 10 0 ADAERN Cc1nc([C@@H](C)NC[C@@H](C)O)co1 308272559 573126379 /nfs/dbraw/zinc/12/63/79/573126379.db2.gz SVECVGFDDKSQEA-RNFRBKRXSA-N 0 0 184.239 1.014 10 0 ADAERN C[C@@](O)(CCCO)c1ccc(F)cc1 259334322 573126405 /nfs/dbraw/zinc/12/64/05/573126405.db2.gz OSRUUQVWZBNNIV-LLVKDONJSA-N 0 0 198.237 1.806 10 0 ADAERN Cc1cnc(-n2ccnc2C)nc1 82615603 573126406 /nfs/dbraw/zinc/12/64/06/573126406.db2.gz VWYMEPKDPUBCLP-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CC[C@@H](O)/C=C(/Cl)C[C@@H](C)O 238282585 573126431 /nfs/dbraw/zinc/12/64/31/573126431.db2.gz MPLCXFZLZFRSQZ-BNJXCVJPSA-N 0 0 178.659 1.651 10 0 ADAERN CCn1ncc2cc(CO)ccc21 114816828 573126439 /nfs/dbraw/zinc/12/64/39/573126439.db2.gz DLUSENJBIUDZMA-UHFFFAOYSA-N 0 0 176.219 1.549 10 0 ADAERN Cc1nc(COC(C)C)no1 306483160 573126456 /nfs/dbraw/zinc/12/64/56/573126456.db2.gz GOPQHULLQICGCQ-UHFFFAOYSA-N 0 0 156.185 1.303 10 0 ADAERN Cc1ccc([C@@H]([NH3+])[C@H](C)C(=O)[O-])o1 259334682 573126463 /nfs/dbraw/zinc/12/64/63/573126463.db2.gz LHQXRIOIBVGTTG-XPUUQOCRSA-N 0 0 183.207 1.309 10 0 ADAERN Cc1n[nH]c2cccc(CCON)c12 257954024 573126491 /nfs/dbraw/zinc/12/64/91/573126491.db2.gz BHXWIHBSAIGWRX-UHFFFAOYSA-N 0 0 191.234 1.304 10 0 ADAERN COC(=O)c1cc(C2CC2)ns1 259331807 573126495 /nfs/dbraw/zinc/12/64/95/573126495.db2.gz DSVHCLMSWOWMKO-UHFFFAOYSA-N 0 0 183.232 1.807 10 0 ADAERN C[C@H](F)CCOC(=O)c1ccc[nH]1 308272969 573126497 /nfs/dbraw/zinc/12/64/97/573126497.db2.gz TUQZUNAHLWBAOL-ZETCQYMHSA-N 0 0 185.198 1.920 10 0 ADAERN CC(C)=C(C)CC(N)=O 104654861 573126502 /nfs/dbraw/zinc/12/65/02/573126502.db2.gz LWUZGLOOZMIWOK-UHFFFAOYSA-N 0 0 127.187 1.218 10 0 ADAERN CCc1nccn1-c1ccncn1 82615631 573126507 /nfs/dbraw/zinc/12/65/07/573126507.db2.gz KKRJYAPVRMHHIQ-UHFFFAOYSA-N 0 0 174.207 1.225 10 0 ADAERN Cc1cc(F)cc(N[C@H](C)C(N)=O)c1 85730457 573126511 /nfs/dbraw/zinc/12/65/11/573126511.db2.gz COUMKMLPMMGBOP-SSDOTTSWSA-N 0 0 196.225 1.420 10 0 ADAERN CC[C@@H](O)/C=C(/C)OC 238282482 573126785 /nfs/dbraw/zinc/12/67/85/573126785.db2.gz PGNQCHZWIYYXMC-KXTMECRCSA-N 0 0 130.187 1.308 10 0 ADAERN CCn1ccnc1Cn1cccc1 82615211 573126519 /nfs/dbraw/zinc/12/65/19/573126519.db2.gz CRKZOSDYLHIRHC-UHFFFAOYSA-N 0 0 175.235 1.753 10 0 ADAERN Cc1cc(F)cc(NC(=S)NN)c1 85731500 573126524 /nfs/dbraw/zinc/12/65/24/573126524.db2.gz GBZNMDZLZWTFLE-UHFFFAOYSA-N 0 0 199.254 1.294 10 0 ADAERN COC[C@H](C)CC(=O)OC1CCC1 308272439 573126525 /nfs/dbraw/zinc/12/65/25/573126525.db2.gz SVERPIXOFZBJKU-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN CC1(C)CCC[C@@](C)(O)[C@@H]1CO 114805403 573126537 /nfs/dbraw/zinc/12/65/37/573126537.db2.gz AHNOFEZRQIHSCX-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1ccsc1CC1(CO)COC1 259334736 573126542 /nfs/dbraw/zinc/12/65/42/573126542.db2.gz LHXBTNZCSIYEPV-UHFFFAOYSA-N 0 0 198.287 1.608 10 0 ADAERN C[C@](O)(CCO)c1ccc(F)cc1 114822310 573126554 /nfs/dbraw/zinc/12/65/54/573126554.db2.gz JXBAPKLSSNMYGU-JTQLQIEISA-N 0 0 184.210 1.416 10 0 ADAERN CCc1ccc(Cn2cncn2)s1 82615494 573126555 /nfs/dbraw/zinc/12/65/55/573126555.db2.gz ZSBLCGVTHPWOIN-UHFFFAOYSA-N 0 0 193.275 1.950 10 0 ADAERN CCc1ccc(NC(=N)NC#N)cc1 238281442 573126570 /nfs/dbraw/zinc/12/65/70/573126570.db2.gz OMNWJNNIPDTXEI-UHFFFAOYSA-N 0 0 188.234 1.666 10 0 ADAERN Fc1cccnc1-n1cccn1 82615564 573126579 /nfs/dbraw/zinc/12/65/79/573126579.db2.gz JRBIUZXUYGBBJW-UHFFFAOYSA-N 0 0 163.155 1.406 10 0 ADAERN CSc1nc2ccccn2c1CO 82617025 573126617 /nfs/dbraw/zinc/12/66/17/573126617.db2.gz BVIHHOONAQBLAL-UHFFFAOYSA-N 0 0 194.259 1.549 10 0 ADAERN COC(=O)C[C@@H]1CCCC(C)(C)O1 114824940 573126630 /nfs/dbraw/zinc/12/66/30/573126630.db2.gz DUAKGXNZXHKACY-QMMMGPOBSA-N 0 0 186.251 1.897 10 0 ADAERN CC1(C)CCC[C@](C)(O)[C@@H]1CO 114805405 573126652 /nfs/dbraw/zinc/12/66/52/573126652.db2.gz AHNOFEZRQIHSCX-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN CC[C@H]1[C@@H](C)[C@H](CO)CC[C@H]1O 238282870 573126662 /nfs/dbraw/zinc/12/66/62/573126662.db2.gz UARUDVFMMWVTFA-AATLWQCWSA-N 0 0 172.268 1.412 10 0 ADAERN COc1c(O)ccc(Cl)c1CO 257949548 573126670 /nfs/dbraw/zinc/12/66/70/573126670.db2.gz ASEUJLYQLFFBMI-UHFFFAOYSA-N 0 0 188.610 1.547 10 0 ADAERN Cc1cc(F)cc(N2CCC(=O)C2)c1 85731259 573126679 /nfs/dbraw/zinc/12/66/79/573126679.db2.gz PUAICXJESDVLSV-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN C[C@@H]1C[C@H](O)CC(C)(C)[C@@H]1O 144088226 573126680 /nfs/dbraw/zinc/12/66/80/573126680.db2.gz KHLQLWSWTQPNSB-GJMOJQLCSA-N 0 0 158.241 1.164 10 0 ADAERN Cc1nc(N)ccc1-c1cnccn1 85729280 573126690 /nfs/dbraw/zinc/12/66/90/573126690.db2.gz SFGQFCJWJNCDQS-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cc(F)cc(NN)c1 85730551 573126717 /nfs/dbraw/zinc/12/67/17/573126717.db2.gz GQDFECCBLXMSDU-UHFFFAOYSA-N 0 0 140.161 1.420 10 0 ADAERN Cc1nccn1[C@H](C)C(=O)NC(C)C 82615310 573126961 /nfs/dbraw/zinc/12/69/61/573126961.db2.gz GAARYCVHPPMPAE-MRVPVSSYSA-N 0 0 195.266 1.277 10 0 ADAERN C[C@@]1(O)CNc2c(O)cccc2C1 257950671 573126736 /nfs/dbraw/zinc/12/67/36/573126736.db2.gz WFIKHENJYOIZRC-JTQLQIEISA-N 0 0 179.219 1.111 10 0 ADAERN CCc1nccn1-c1cc(C)ncn1 82615643 573126740 /nfs/dbraw/zinc/12/67/40/573126740.db2.gz IIAWAFVOFDZXHH-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN C[C@H](O)c1sccc1N 104654541 573126747 /nfs/dbraw/zinc/12/67/47/573126747.db2.gz NSVVJAJNZNDTMT-BYPYZUCNSA-N 0 0 143.211 1.384 10 0 ADAERN NOCCC[C@H]1CCCOC1 257951517 573126790 /nfs/dbraw/zinc/12/67/90/573126790.db2.gz MLLJVEFEUOADNZ-MRVPVSSYSA-N 0 0 159.229 1.084 10 0 ADAERN Cc1cccc(-n2ccnc2C)n1 82615599 573126781 /nfs/dbraw/zinc/12/67/81/573126781.db2.gz ASMPEEFYKYNOBO-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CC1=NO[C@@H](C)[C@H]1C 114817433 573126787 /nfs/dbraw/zinc/12/67/87/573126787.db2.gz CETCMFCNCZKVTM-NJGYIYPDSA-N 0 0 113.160 1.417 10 0 ADAERN CC1(C)CCC[C@@](C)(O)[C@H]1CO 114805407 573126799 /nfs/dbraw/zinc/12/67/99/573126799.db2.gz AHNOFEZRQIHSCX-WCBMZHEXSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1cc(-n2ccnc2C)ncn1 82615616 573126807 /nfs/dbraw/zinc/12/68/07/573126807.db2.gz BEZCJPQQADHNFW-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN Nc1cccc(-c2ccnc(F)c2)n1 114810311 573126811 /nfs/dbraw/zinc/12/68/11/573126811.db2.gz NASKAMQOXVNPLK-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Cc1cccnc1-n1ccnc1 82615569 573126826 /nfs/dbraw/zinc/12/68/26/573126826.db2.gz RBQFDAUQPBUXTR-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN NC(N=O)=C(Cl)Cl 104653013 573126828 /nfs/dbraw/zinc/12/68/28/573126828.db2.gz UHWQOIOKQAAZFT-UHFFFAOYSA-N 0 0 140.957 1.316 10 0 ADAERN Cc1cc(F)cc(N[C@@H](C)C(N)=O)c1 85730455 573126839 /nfs/dbraw/zinc/12/68/39/573126839.db2.gz COUMKMLPMMGBOP-ZETCQYMHSA-N 0 0 196.225 1.420 10 0 ADAERN Cc1ccc(Cn2ccnc2)o1 82615223 573126840 /nfs/dbraw/zinc/12/68/40/573126840.db2.gz WCAKUKLWEOBZDJ-UHFFFAOYSA-N 0 0 162.192 1.833 10 0 ADAERN CCc1ncc(C(C)=O)cc1O 238282290 573126845 /nfs/dbraw/zinc/12/68/45/573126845.db2.gz PPOAAOUPWBDTTP-UHFFFAOYSA-N 0 0 165.192 1.552 10 0 ADAERN CCc1nccn1-c1ccc(F)cn1 82615630 573126852 /nfs/dbraw/zinc/12/68/52/573126852.db2.gz SVSKMVKASBHSSV-UHFFFAOYSA-N 0 0 191.209 1.969 10 0 ADAERN Cc1ccc([C@@H]([NH3+])[C@@H](C)C(=O)[O-])o1 259334678 573126867 /nfs/dbraw/zinc/12/68/67/573126867.db2.gz LHQXRIOIBVGTTG-SVRRBLITSA-N 0 0 183.207 1.309 10 0 ADAERN COC(=O)[C@@H](F)C[C@@H]1CCCO1 257949340 573128276 /nfs/dbraw/zinc/12/82/76/573128276.db2.gz VZURXMILLKLOAR-BQBZGAKWSA-N 0 0 176.187 1.067 10 0 ADAERN CC[C@@]12CCC(=O)C[C@@H]1NC(=O)CC2 238281947 573126890 /nfs/dbraw/zinc/12/68/90/573126890.db2.gz IAZPSLXRXMUBIP-ONGXEEELSA-N 0 0 195.262 1.414 10 0 ADAERN CN(C)C(C)(C)C(=O)c1cccnc1 85734763 573126898 /nfs/dbraw/zinc/12/68/98/573126898.db2.gz OZAKAZFPFIVFQN-UHFFFAOYSA-N 0 0 192.262 1.605 10 0 ADAERN Cc1nc(C2(CO)CCC2)cs1 259337334 573126910 /nfs/dbraw/zinc/12/69/10/573126910.db2.gz PGPKSXMGFCXQCG-UHFFFAOYSA-N 0 0 183.276 1.866 10 0 ADAERN CC[C@@H](O)[C@](C)(O)c1ccncc1 238281777 573128277 /nfs/dbraw/zinc/12/82/77/573128277.db2.gz AUTYHJWKIZFPMM-NXEZZACHSA-N 0 0 181.235 1.060 10 0 ADAERN CCc1nnc(Cn2cccc2)o1 82615181 573126914 /nfs/dbraw/zinc/12/69/14/573126914.db2.gz OTTKMHVPEUNJGW-UHFFFAOYSA-N 0 0 177.207 1.482 10 0 ADAERN CCc1nc(Cn2cccc2)no1 82615162 573126954 /nfs/dbraw/zinc/12/69/54/573126954.db2.gz SZOFDWCWBQOBIL-UHFFFAOYSA-N 0 0 177.207 1.482 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)c1ccsn1 689920401 573126970 /nfs/dbraw/zinc/12/69/70/573126970.db2.gz NABBQLHUHHRWBZ-POYBYMJQSA-N 0 0 197.259 1.751 10 0 ADAERN Cc1cc(F)cc(NC=O)c1 85732716 573128279 /nfs/dbraw/zinc/12/82/79/573128279.db2.gz HKQJGMFXCMKPPI-UHFFFAOYSA-N 0 0 153.156 1.702 10 0 ADAERN Cc1csc(-n2ccnc2C)n1 82615622 573127031 /nfs/dbraw/zinc/12/70/31/573127031.db2.gz HSJYYOCXEFSMDC-UHFFFAOYSA-N 0 0 179.248 1.946 10 0 ADAERN CCc1[nH]c(C[NH3+])nc1C1CCC1 257949346 573127067 /nfs/dbraw/zinc/12/70/67/573127067.db2.gz VZUSXQLXMHAEHW-UHFFFAOYSA-N 0 0 179.267 1.698 10 0 ADAERN C=C(NC(C)=O)c1ccc(Cl)cn1 144095036 573127094 /nfs/dbraw/zinc/12/70/94/573127094.db2.gz GDSZOHIOXXJWAB-UHFFFAOYSA-N 0 0 196.637 1.842 10 0 ADAERN Cc1cc(F)cc2[nH]c(=O)ccc12 85732635 573127104 /nfs/dbraw/zinc/12/71/04/573127104.db2.gz UBWQBMSJTIVGBX-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN Cc1cc(F)cc(N[C@H](C)CO)c1 85731960 573127115 /nfs/dbraw/zinc/12/71/15/573127115.db2.gz DANZYTDRPFQBCB-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN CCc1onc(C(=O)OC)c1N(C)C 259331749 573127120 /nfs/dbraw/zinc/12/71/20/573127120.db2.gz DREUHISJKYSVGT-UHFFFAOYSA-N 0 0 198.222 1.090 10 0 ADAERN O=C1CN2C(Cl)=CC=CC2=N1 258533961 573127125 /nfs/dbraw/zinc/12/71/25/573127125.db2.gz NRGHXHLYTJSTIK-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN Cc1ccc(-n2cccn2)nc1 82615549 573127149 /nfs/dbraw/zinc/12/71/49/573127149.db2.gz NHFOJRKWHSALJT-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN COC(=O)[C@H](CF)NCCC(C)C 308277059 573127162 /nfs/dbraw/zinc/12/71/62/573127162.db2.gz WFFWCWVRSDGHRZ-QMMMGPOBSA-N 0 0 191.246 1.133 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)O[C@@H]1CC(C)C 238283146 573127167 /nfs/dbraw/zinc/12/71/67/573127167.db2.gz KPZTXWGILMALQT-JGVFFNPUSA-N 0 0 199.250 1.694 10 0 ADAERN Cc1cccc2c1OC(=O)[C@H](C)N2 259336057 573128284 /nfs/dbraw/zinc/12/82/84/573128284.db2.gz SRSRTTNJBOENAR-ZETCQYMHSA-N 0 0 177.203 1.714 10 0 ADAERN CCn1ncc2c1NC(=O)C[C@H]2C 238281542 573127182 /nfs/dbraw/zinc/12/71/82/573127182.db2.gz VUJBSCBPFVBIJF-ZCFIWIBFSA-N 0 0 179.223 1.349 10 0 ADAERN COc1cc2c(cc1CCO)CCC2 257949563 573127186 /nfs/dbraw/zinc/12/71/86/573127186.db2.gz ASOJZXIYFMQCSN-UHFFFAOYSA-N 0 0 192.258 1.719 10 0 ADAERN Cc1cccc(-n2cccn2)n1 82615537 573127192 /nfs/dbraw/zinc/12/71/92/573127192.db2.gz JLTPCLZZJSORCF-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN COC[C@H](C)OC(=O)CCC(F)F 308272425 573127216 /nfs/dbraw/zinc/12/72/16/573127216.db2.gz SUOVVWPSEUSJBS-LURJTMIESA-N 0 0 196.193 1.610 10 0 ADAERN C/C=C(/Cl)[C@@H](O)CC 225190669 573127223 /nfs/dbraw/zinc/12/72/23/573127223.db2.gz BWIWOQJUERASBD-QVQDZQDPSA-N 0 0 134.606 1.900 10 0 ADAERN CCNC(=O)C(Cl)(Cl)CC 238282300 573127233 /nfs/dbraw/zinc/12/72/33/573127233.db2.gz WEDPZAGRMLNFCV-UHFFFAOYSA-N 0 0 184.066 1.706 10 0 ADAERN CC(C)OC[C@@H]1CC[C@H]1O 642828189 573127251 /nfs/dbraw/zinc/12/72/51/573127251.db2.gz YPWNQYPMZNUCRD-JGVFFNPUSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1nccn1[C@H]1CCCCNC1=O 82615260 573127265 /nfs/dbraw/zinc/12/72/65/573127265.db2.gz LGAVTTQNPWQBHP-VIFPVBQESA-N 0 0 193.250 1.033 10 0 ADAERN Cc1sc(=O)n(C)c1C 114817266 573127273 /nfs/dbraw/zinc/12/72/73/573127273.db2.gz RHDBSOGBFRWRMN-UHFFFAOYSA-N 0 0 143.211 1.064 10 0 ADAERN Cc1nc(N)ccc1-c1nccn1C 85729270 573127275 /nfs/dbraw/zinc/12/72/75/573127275.db2.gz SNVAFXLNLWQHDQ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN c1ccn(Cc2noc(C3CC3)n2)c1 82615160 573127280 /nfs/dbraw/zinc/12/72/80/573127280.db2.gz CLQWQZRLKHMVDR-UHFFFAOYSA-N 0 0 189.218 1.797 10 0 ADAERN CCC1([C@H]([NH2+]C2CC2)C(=O)[O-])CCC1 686134187 573127285 /nfs/dbraw/zinc/12/72/85/573127285.db2.gz VMJSQKZNGMSLMV-SECBINFHSA-N 0 0 197.278 1.772 10 0 ADAERN CONCc1ccc(O)c(C)c1 257950246 573127288 /nfs/dbraw/zinc/12/72/88/573127288.db2.gz FPNGPBIKWMDESK-UHFFFAOYSA-N 0 0 167.208 1.352 10 0 ADAERN Cc1cnc(-n2nc(C)cc2C)nc1 82615526 573127314 /nfs/dbraw/zinc/12/73/14/573127314.db2.gz ODNKMQCMBXXSAI-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN Cc1cc(CNO)cc2c1OCC2 257950205 573127322 /nfs/dbraw/zinc/12/73/22/573127322.db2.gz FOYZYYBHEAYNJQ-UHFFFAOYSA-N 0 0 179.219 1.409 10 0 ADAERN Cc1ccnc(-n2ccnc2)c1 82615596 573127323 /nfs/dbraw/zinc/12/73/23/573127323.db2.gz NISGKCHUTFHGOE-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN CCCc1nn(CC)c2[nH]nc(N)c12 82613523 573127341 /nfs/dbraw/zinc/12/73/41/573127341.db2.gz ONNMTVCCUXVXLH-UHFFFAOYSA-N 0 0 193.254 1.314 10 0 ADAERN CC(C)(C)c1nnc2c(N)ccnn12 257950085 573127373 /nfs/dbraw/zinc/12/73/73/573127373.db2.gz FNFVNVIJRQIIRP-UHFFFAOYSA-N 0 0 191.238 1.004 10 0 ADAERN Cc1cc(F)cc(NCCCO)c1 85730657 573127374 /nfs/dbraw/zinc/12/73/74/573127374.db2.gz ZANAELQLPQJUIR-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN C/C=C(/CC(C)C)C(N)=O 104652294 573127398 /nfs/dbraw/zinc/12/73/98/573127398.db2.gz SXKCKRJABLCHGC-DAXSKMNVSA-N 0 0 141.214 1.464 10 0 ADAERN CCc1ncc(C(N)=O)cc1Cl 238282615 573127442 /nfs/dbraw/zinc/12/74/42/573127442.db2.gz FQQLHDBSXKCNFS-UHFFFAOYSA-N 0 0 184.626 1.396 10 0 ADAERN CONCc1cccc(CF)c1 257950252 573127466 /nfs/dbraw/zinc/12/74/66/573127466.db2.gz FPNXAARKRHEVEA-UHFFFAOYSA-N 0 0 169.199 1.807 10 0 ADAERN OCCN1CCOc2cccc(F)c21 258235143 573127467 /nfs/dbraw/zinc/12/74/67/573127467.db2.gz RQYIVYRLTOHJGV-UHFFFAOYSA-N 0 0 197.209 1.017 10 0 ADAERN CCc1[nH]cc(C(=O)OC)c1C 238282530 573127472 /nfs/dbraw/zinc/12/74/72/573127472.db2.gz BZPKSKQLLDCLQE-UHFFFAOYSA-N 0 0 167.208 1.672 10 0 ADAERN CC1(F)CN(C(=O)OCC2CC2)C1 308277095 573127478 /nfs/dbraw/zinc/12/74/78/573127478.db2.gz VMIQVJNJRTTYAZ-UHFFFAOYSA-N 0 0 187.214 1.577 10 0 ADAERN CC[C@@H]1C[C@H](O)S1 238283153 573127482 /nfs/dbraw/zinc/12/74/82/573127482.db2.gz AYBAFGCOJONZHB-RFZPGFLSSA-N 0 0 118.201 1.220 10 0 ADAERN CC[C@@H]1C[C@H](CC(N)=O)C1(C)C 238282501 573127550 /nfs/dbraw/zinc/12/75/50/573127550.db2.gz UMXNDNYKUKWEAO-HTQZYQBOSA-N 0 0 169.268 1.934 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1[NH2+]C1CCCCCC1 259337351 573127571 /nfs/dbraw/zinc/12/75/71/573127571.db2.gz SBPSFTLAVQUQNA-VHSXEESVSA-N 0 0 197.278 1.772 10 0 ADAERN Cc1ccc([C@H]2CC(=O)NN2)c(C)c1 220358869 573127572 /nfs/dbraw/zinc/12/75/72/573127572.db2.gz JJWASGOCXFMTCU-SNVBAGLBSA-N 0 0 190.246 1.369 10 0 ADAERN CCOc1ccc([C@@H]2CNC2=O)cc1 238283066 573127573 /nfs/dbraw/zinc/12/75/73/573127573.db2.gz BAHHKMXOCWFIFJ-JTQLQIEISA-N 0 0 191.230 1.299 10 0 ADAERN Cc1[nH]nc2c(N)ccc(F)c12 259334713 573127601 /nfs/dbraw/zinc/12/76/01/573127601.db2.gz GVUIDVNZADNXDS-UHFFFAOYSA-N 0 0 165.171 1.593 10 0 ADAERN CC[C@@H]1C[C@H](C)C[C@@H](C(=O)[O-])[N@@H+]1C 238282177 573128303 /nfs/dbraw/zinc/12/83/03/573128303.db2.gz MQFRVGACLBBKKQ-YIZRAAEISA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@@H](O)/C=C(/C)NC(=O)OC 238282405 573127639 /nfs/dbraw/zinc/12/76/39/573127639.db2.gz HPNWOFUPJQMWKR-KXTMECRCSA-N 0 0 173.212 1.017 10 0 ADAERN O=C1OCC[C@H](CO)N1C1CCCC1 259336047 573127642 /nfs/dbraw/zinc/12/76/42/573127642.db2.gz NPPYCKMKIOWNBX-SECBINFHSA-N 0 0 199.250 1.132 10 0 ADAERN Clc1cccc(Cn2ccnc2)n1 85734121 573128307 /nfs/dbraw/zinc/12/83/07/573128307.db2.gz DXEQFJNTYSFVAK-UHFFFAOYSA-N 0 0 193.637 1.980 10 0 ADAERN OC[C@H]1CCCCCS1 258533982 573127673 /nfs/dbraw/zinc/12/76/73/573127673.db2.gz NSJCBIXKFICWRT-SSDOTTSWSA-N 0 0 146.255 1.655 10 0 ADAERN CCc1nccn1C(F)F 82615357 573127694 /nfs/dbraw/zinc/12/76/94/573127694.db2.gz MCWRHEDADGJBTE-UHFFFAOYSA-N 0 0 146.140 1.841 10 0 ADAERN CC(C)(C)C(=O)OCC(=O)C1CC1 308272986 573127700 /nfs/dbraw/zinc/12/77/00/573127700.db2.gz TVKQYKKPZMOZGF-UHFFFAOYSA-N 0 0 184.235 1.555 10 0 ADAERN CC1(C)CCC[C@](C)(O)[C@H]1CO 114805408 573127723 /nfs/dbraw/zinc/12/77/23/573127723.db2.gz AHNOFEZRQIHSCX-WPRPVWTQSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1cccc(N)c(=O)c1C 104651678 573127730 /nfs/dbraw/zinc/12/77/30/573127730.db2.gz MGYKJTMRDQFKQR-UHFFFAOYSA-N 0 0 149.193 1.246 10 0 ADAERN Cc1nc([C@@H](C)NC[C@H](C)O)co1 308272558 573127738 /nfs/dbraw/zinc/12/77/38/573127738.db2.gz SVECVGFDDKSQEA-NKWVEPMBSA-N 0 0 184.239 1.014 10 0 ADAERN Cc1cc(F)cc(N[C@@H](C)CO)c1 85731956 573127739 /nfs/dbraw/zinc/12/77/39/573127739.db2.gz DANZYTDRPFQBCB-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1nc([C@H](C)NC[C@H](C)O)co1 308272557 573127744 /nfs/dbraw/zinc/12/77/44/573127744.db2.gz SVECVGFDDKSQEA-BQBZGAKWSA-N 0 0 184.239 1.014 10 0 ADAERN CCOC(=O)N[C@H]1C=CCCO1 238282678 573127756 /nfs/dbraw/zinc/12/77/56/573127756.db2.gz AYMDEOWBUADMDG-SSDOTTSWSA-N 0 0 171.196 1.035 10 0 ADAERN Cc1csc(Cn2occc2=O)n1 306483764 573127763 /nfs/dbraw/zinc/12/77/63/573127763.db2.gz HGNZDVZNVUDDKO-UHFFFAOYSA-N 0 0 196.231 1.255 10 0 ADAERN C[C@@H](CO)COC(=O)CCC(F)F 308277339 573127775 /nfs/dbraw/zinc/12/77/75/573127775.db2.gz VPPHDPHHSUVEFI-LURJTMIESA-N 0 0 196.193 1.203 10 0 ADAERN CCn1ccnc1-n1ccnc1C 82615600 573127823 /nfs/dbraw/zinc/12/78/23/573127823.db2.gz URWKQBLBMOWPGP-UHFFFAOYSA-N 0 0 176.223 1.397 10 0 ADAERN OCC(F)(F)C[C@@H]1CCCCO1 257950450 573127852 /nfs/dbraw/zinc/12/78/52/573127852.db2.gz WBUQIFPQIOMCRF-ZETCQYMHSA-N 0 0 180.194 1.573 10 0 ADAERN CC[C@@]12CCC(=O)C[C@H]1NC(=O)CC2 238281983 573128314 /nfs/dbraw/zinc/12/83/14/573128314.db2.gz IAZPSLXRXMUBIP-KOLCDFICSA-N 0 0 195.262 1.414 10 0 ADAERN C[C@]1(O)CNc2c(O)cccc2C1 257950674 573127874 /nfs/dbraw/zinc/12/78/74/573127874.db2.gz WFIKHENJYOIZRC-SNVBAGLBSA-N 0 0 179.219 1.111 10 0 ADAERN c1cn(Cc2ccsc2)cn1 82615254 573127880 /nfs/dbraw/zinc/12/78/80/573127880.db2.gz IMKQUGXVNMAVTM-UHFFFAOYSA-N 0 0 164.233 1.993 10 0 ADAERN Cc1cc(C2(O)CC2)cc2c1OCO2 257949603 573127893 /nfs/dbraw/zinc/12/78/93/573127893.db2.gz ATNCLEIELGGHHV-UHFFFAOYSA-N 0 0 192.214 1.705 10 0 ADAERN CC(=O)Oc1ccc(C)c(N)c1 114822455 573128318 /nfs/dbraw/zinc/12/83/18/573128318.db2.gz PASUWAAICHQTCG-UHFFFAOYSA-N 0 0 165.192 1.503 10 0 ADAERN c1ccn(Cc2ccno2)c1 82615204 573127898 /nfs/dbraw/zinc/12/78/98/573127898.db2.gz MSIWEDPIDJUYIR-UHFFFAOYSA-N 0 0 148.165 1.524 10 0 ADAERN CCc1cccc(C2(O)CC2)c1O 257950094 573127900 /nfs/dbraw/zinc/12/79/00/573127900.db2.gz FNMAAJBOEXCAPO-UHFFFAOYSA-N 0 0 178.231 1.936 10 0 ADAERN CCCc1ccc(O)c(=O)cc1 238281760 573127922 /nfs/dbraw/zinc/12/79/22/573127922.db2.gz LNGRTSNVERRNMK-UHFFFAOYSA-N 0 0 164.204 1.705 10 0 ADAERN C/C=C(/N)c1ccccn1 104652228 573127941 /nfs/dbraw/zinc/12/79/41/573127941.db2.gz GRGSKBSNJWGNOP-FARCUNLSSA-N 0 0 134.182 1.401 10 0 ADAERN Cc1cc(-n2cccn2)nc(C)n1 82615555 573127948 /nfs/dbraw/zinc/12/79/48/573127948.db2.gz ACHVYUFWALUKBR-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CCC1=C(C(=O)OC)C[N@H+](C)CC1 257949355 573127959 /nfs/dbraw/zinc/12/79/59/573127959.db2.gz WAFXVJICOXLKLX-UHFFFAOYSA-N 0 0 183.251 1.202 10 0 ADAERN CC[C@@H]1C(C(C)=O)=NO[C@@H]1C 238282443 573127963 /nfs/dbraw/zinc/12/79/63/573127963.db2.gz YTJLWOGVUQGUQE-RQJHMYQMSA-N 0 0 155.197 1.376 10 0 ADAERN C[C@H](CC(=O)N1CCCO1)C1CC1 308277350 573127966 /nfs/dbraw/zinc/12/79/66/573127966.db2.gz VPQYFYNPJXWMCT-MRVPVSSYSA-N 0 0 183.251 1.587 10 0 ADAERN Cc1cc(F)cc2[nH]c(=NN)ccc12 85732675 573127969 /nfs/dbraw/zinc/12/79/69/573127969.db2.gz ROIRGJZPXUGYTO-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN CCc1nccn1-c1nccn1CC 82615629 573127973 /nfs/dbraw/zinc/12/79/73/573127973.db2.gz PEKAUNSLWSRKKF-UHFFFAOYSA-N 0 0 190.250 1.651 10 0 ADAERN Cc1ccc(-n2ccnc2C)nn1 82615618 573128320 /nfs/dbraw/zinc/12/83/20/573128320.db2.gz YDCZWHQOXTVVJJ-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CCC[C@@H]1[C@@H](O)CC12CC2 238282305 573128321 /nfs/dbraw/zinc/12/83/21/573128321.db2.gz BXWFJQNRPVVPNT-SFYZADRCSA-N 0 0 140.226 1.948 10 0 ADAERN Cc1ncccc1-n1cccc1C=O 85728411 573127994 /nfs/dbraw/zinc/12/79/94/573127994.db2.gz WTPWJPUPUGAONV-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN Cc1csc(-n2ccnc2)n1 82615594 573127997 /nfs/dbraw/zinc/12/79/97/573127997.db2.gz KZBBTYKOOODUOQ-UHFFFAOYSA-N 0 0 165.221 1.637 10 0 ADAERN CC[C@H](C)[N@@H+]1CC/C(=C/C(=O)[O-])C1 259337275 573128003 /nfs/dbraw/zinc/12/80/03/573128003.db2.gz XTBTZPNBEWHKPR-HWPCKVLBSA-N 0 0 183.251 1.502 10 0 ADAERN c1ncn(C2CCCCC2)n1 82615451 573128014 /nfs/dbraw/zinc/12/80/14/573128014.db2.gz CTADSPOUVHTINH-UHFFFAOYSA-N 0 0 151.213 1.783 10 0 ADAERN C=Cc1cc(O)ccc1N 104652671 573128022 /nfs/dbraw/zinc/12/80/22/573128022.db2.gz UTUNAFPLOAMKAK-UHFFFAOYSA-N 0 0 135.166 1.617 10 0 ADAERN O=Cc1ccc(SCCO)o1 82612723 573128025 /nfs/dbraw/zinc/12/80/25/573128025.db2.gz CGPMASLRUSBPAP-UHFFFAOYSA-N 0 0 172.205 1.177 10 0 ADAERN CC[C@@H](O)CC[C@H](C)CO 114816969 573128031 /nfs/dbraw/zinc/12/80/31/573128031.db2.gz KQZLLXRPZSRICO-JGVFFNPUSA-N 0 0 146.230 1.166 10 0 ADAERN c1cnn(Cc2ccsc2)c1 82615000 573128042 /nfs/dbraw/zinc/12/80/42/573128042.db2.gz KTRMTWSFYGWAKG-UHFFFAOYSA-N 0 0 164.233 1.993 10 0 ADAERN COc1cccc(-n2ccnc2C)n1 82615601 573128069 /nfs/dbraw/zinc/12/80/69/573128069.db2.gz KVUUNMMSXQATRK-UHFFFAOYSA-N 0 0 189.218 1.584 10 0 ADAERN COC(=O)/C=C\c1cccc(F)c1N 225192396 573128072 /nfs/dbraw/zinc/12/80/72/573128072.db2.gz QSQJNLFKFYTKST-WAYWQWQTSA-N 0 0 195.193 1.594 10 0 ADAERN CCn1cc(Cn2cccn2)cn1 82615065 573128082 /nfs/dbraw/zinc/12/80/82/573128082.db2.gz DQQIRUYVNICPJK-UHFFFAOYSA-N 0 0 176.223 1.148 10 0 ADAERN FC(F)Cn1ccnc1 82615242 573128101 /nfs/dbraw/zinc/12/81/01/573128101.db2.gz DMOTYYRQNFAILB-UHFFFAOYSA-N 0 0 132.113 1.148 10 0 ADAERN Cc1cc(O)cc(CO)c1F 257950327 573128112 /nfs/dbraw/zinc/12/81/12/573128112.db2.gz FQLONUOVSQFYSM-UHFFFAOYSA-N 0 0 156.156 1.332 10 0 ADAERN CCn1ccnc1-n1cccn1 82615538 573128144 /nfs/dbraw/zinc/12/81/44/573128144.db2.gz NGSSMZCBDIVPND-UHFFFAOYSA-N 0 0 162.196 1.089 10 0 ADAERN CN(C)C(C)(C)C(=O)c1ccoc1 85734986 573128165 /nfs/dbraw/zinc/12/81/65/573128165.db2.gz IYQOBTWLVZPKIU-UHFFFAOYSA-N 0 0 181.235 1.803 10 0 ADAERN CC[C@H]1C(=O)N[C@H]1c1ccco1 238281858 573128191 /nfs/dbraw/zinc/12/81/91/573128191.db2.gz GIVZWSAJJUVSFC-HTRCEHHLSA-N 0 0 165.192 1.477 10 0 ADAERN CCc1[nH]cc(C)c1C(=O)OC 238282559 573128218 /nfs/dbraw/zinc/12/82/18/573128218.db2.gz AQPZHBRTXQJNRH-UHFFFAOYSA-N 0 0 167.208 1.672 10 0 ADAERN CC(C)=CCOC(=O)c1cnns1 308273328 573128231 /nfs/dbraw/zinc/12/82/31/573128231.db2.gz UCWGSDARTVNGLK-UHFFFAOYSA-N 0 0 198.247 1.661 10 0 ADAERN C[NH2+]CCc1ccc(N)c([S-])c1 259337681 573128233 /nfs/dbraw/zinc/12/82/33/573128233.db2.gz FAKHMGYDIWNVAE-UHFFFAOYSA-N 0 0 182.292 1.319 10 0 ADAERN CC[C@@H](O)[C@]1(O)CCSC(C)=N1 238282013 573128344 /nfs/dbraw/zinc/12/83/44/573128344.db2.gz JTAXJLMPNIBTTA-HTQZYQBOSA-N 0 0 189.280 1.001 10 0 ADAERN C/C=C/[C@H](O)C(F)(F)CC 642849166 573129137 /nfs/dbraw/zinc/12/91/37/573129137.db2.gz HFRZJLWDZRHUGY-QVQDZQDPSA-N 0 0 150.168 1.969 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)c1ccsn1 689920396 573128724 /nfs/dbraw/zinc/12/87/24/573128724.db2.gz NABBQLHUHHRWBZ-HTRCEHHLSA-N 0 0 197.259 1.751 10 0 ADAERN Cc1ccc([C@H]2CCNN2)cc1 258532581 573128567 /nfs/dbraw/zinc/12/85/67/573128567.db2.gz NKHTYKIWTNRYAV-SNVBAGLBSA-N 0 0 162.236 1.534 10 0 ADAERN CCc1ccc(O)c(C=O)c1O 238282934 573128580 /nfs/dbraw/zinc/12/85/80/573128580.db2.gz PJAGJJSDAFOJSI-UHFFFAOYSA-N 0 0 166.176 1.473 10 0 ADAERN Cc1cc(C)n(Cc2noc(C)n2)n1 82615085 573128595 /nfs/dbraw/zinc/12/85/95/573128595.db2.gz FSBDRKPCLUFWOS-UHFFFAOYSA-N 0 0 192.222 1.240 10 0 ADAERN C[C@@H]1C[C@@H](O)CC(C)(C)[C@@H]1O 144087926 573128621 /nfs/dbraw/zinc/12/86/21/573128621.db2.gz KHLQLWSWTQPNSB-BWZBUEFSSA-N 0 0 158.241 1.164 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)CCCSC 689919792 573128666 /nfs/dbraw/zinc/12/86/66/573128666.db2.gz BELKIQSOCWMAEU-IONNQARKSA-N 0 0 188.292 1.734 10 0 ADAERN Nc1cc2c(cc1O)CC2 104652606 573128702 /nfs/dbraw/zinc/12/87/02/573128702.db2.gz NJJXXQOISMMCDB-UHFFFAOYSA-N 0 0 135.166 1.073 10 0 ADAERN COc1cccc(-n2cccn2)n1 82615540 573128739 /nfs/dbraw/zinc/12/87/39/573128739.db2.gz SMQXDNQKEZUUIU-UHFFFAOYSA-N 0 0 175.191 1.276 10 0 ADAERN Cc1cccc(-n2nncc2N)c1 257949252 573128755 /nfs/dbraw/zinc/12/87/55/573128755.db2.gz VXZDZHREEDJDSU-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccc(Cn2cncn2)o1 82615418 573128769 /nfs/dbraw/zinc/12/87/69/573128769.db2.gz AWFXWVYSRHUWRY-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)[C@H](C)CSC 689920449 573128771 /nfs/dbraw/zinc/12/87/71/573128771.db2.gz NAJMETMEOJKQAJ-GJMOJQLCSA-N 0 0 188.292 1.590 10 0 ADAERN C/C(N)=C/c1ccccn1 104652224 573128791 /nfs/dbraw/zinc/12/87/91/573128791.db2.gz UOVBTVKSWFQDFI-SREVYHEPSA-N 0 0 134.182 1.401 10 0 ADAERN NOCCc1ccc2c(c1O)CCC2 257949546 573128802 /nfs/dbraw/zinc/12/88/02/573128802.db2.gz ASEPCMNFFLVWIH-UHFFFAOYSA-N 0 0 193.246 1.314 10 0 ADAERN Fc1cccnc1-n1ccnc1 82615592 573128847 /nfs/dbraw/zinc/12/88/47/573128847.db2.gz GIINHBXZJAQEEN-UHFFFAOYSA-N 0 0 163.155 1.406 10 0 ADAERN Cc1ncccc1-n1cnnc1Cl 85728602 573128864 /nfs/dbraw/zinc/12/88/64/573128864.db2.gz BFIGLHFDQIVLER-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)CCCSC 689919787 573128869 /nfs/dbraw/zinc/12/88/69/573128869.db2.gz BELKIQSOCWMAEU-CBAPKCEASA-N 0 0 188.292 1.734 10 0 ADAERN COc1ccc(CON)c2c1CCC2 257949525 573128870 /nfs/dbraw/zinc/12/88/70/573128870.db2.gz ARKHGRPEHKALMS-UHFFFAOYSA-N 0 0 193.246 1.574 10 0 ADAERN CC(=O)CC(=O)Nc1cccnc1C 85727958 573128880 /nfs/dbraw/zinc/12/88/80/573128880.db2.gz NPYZWWIQFQNZBG-UHFFFAOYSA-N 0 0 192.218 1.308 10 0 ADAERN Cc1nc(N)oc1-c1ccco1 258532577 573128911 /nfs/dbraw/zinc/12/89/11/573128911.db2.gz HLLYCXDECPKKPV-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Clc1cccnc1-n1cncn1 82615686 573128915 /nfs/dbraw/zinc/12/89/15/573128915.db2.gz ZSKFKKAEYQHQBT-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Cc1cc(F)cc2[nH]ccc(=O)c12 85731783 573128933 /nfs/dbraw/zinc/12/89/33/573128933.db2.gz FHNNBGIEEDKVFF-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)Cc1ccccc1 689920349 573128938 /nfs/dbraw/zinc/12/89/38/573128938.db2.gz MVWOLPMRBMFOQW-PWSUYJOCSA-N 0 0 190.242 1.833 10 0 ADAERN CC(C)=CC(=O)NCC1(CF)CC1 308272441 573128943 /nfs/dbraw/zinc/12/89/43/573128943.db2.gz SVJHHKLOKZJLGR-UHFFFAOYSA-N 0 0 185.242 1.819 10 0 ADAERN C[C@@H](O)CCC1=NC=S=C1Cl 642828156 573128944 /nfs/dbraw/zinc/12/89/44/573128944.db2.gz WRDFATGWZQBAIK-RXMQYKEDSA-N 0 0 191.683 1.808 10 0 ADAERN Cc1cc(C)n(-c2ccncn2)n1 82615525 573128947 /nfs/dbraw/zinc/12/89/47/573128947.db2.gz GOPQFWMILUBKSM-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN C[C@H](O)c1cccc(-n2nccn2)c1 257949573 573128966 /nfs/dbraw/zinc/12/89/66/573128966.db2.gz ASSMWOBQPNTRKE-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN CC[C@@H]1C[C@H](C)O[C@@H](O)C1 238282293 573129045 /nfs/dbraw/zinc/12/90/45/573129045.db2.gz QHXBOGXUKGXWHA-XLPZGREQSA-N 0 0 144.214 1.530 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)CCCSC 689919799 573129053 /nfs/dbraw/zinc/12/90/53/573129053.db2.gz BELKIQSOCWMAEU-VXNVDRBHSA-N 0 0 188.292 1.734 10 0 ADAERN CCc1ccc2c(c1)N[C@@H](CO)C2 238288976 573129060 /nfs/dbraw/zinc/12/90/60/573129060.db2.gz IJIHIVMDHHHWQX-SNVBAGLBSA-N 0 0 177.247 1.578 10 0 ADAERN CCOC(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 238282948 573129067 /nfs/dbraw/zinc/12/90/67/573129067.db2.gz LEEZADRDQQDAOO-HRDYMLBCSA-N 0 0 183.251 1.921 10 0 ADAERN Cc1cc(C)n(Cc2cnn(C)c2)n1 82615071 573129081 /nfs/dbraw/zinc/12/90/81/573129081.db2.gz QMXOOXWJVZRXKK-UHFFFAOYSA-N 0 0 190.250 1.282 10 0 ADAERN Cc1ncccc1N1CC[C@@H](CO)C1 85728658 573129104 /nfs/dbraw/zinc/12/91/04/573129104.db2.gz IZYNTUIHOCALQU-SNVBAGLBSA-N 0 0 192.262 1.209 10 0 ADAERN CC[C@@H](C)Cn1cncn1 82615421 573129108 /nfs/dbraw/zinc/12/91/08/573129108.db2.gz QVEJOHSHAKGWQT-SSDOTTSWSA-N 0 0 139.202 1.324 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)[C@H](C)CSC 689920444 573129128 /nfs/dbraw/zinc/12/91/28/573129128.db2.gz NAJMETMEOJKQAJ-BWZBUEFSSA-N 0 0 188.292 1.590 10 0 ADAERN Cc1cc(C=O)c(C[C@@H](C)O)cc1F 257949609 573129183 /nfs/dbraw/zinc/12/91/83/573129183.db2.gz ATQORJRSRXFXEF-MRVPVSSYSA-N 0 0 196.221 1.870 10 0 ADAERN COc1c(CO)cccc1C[C@H](C)O 257949586 573129188 /nfs/dbraw/zinc/12/91/88/573129188.db2.gz ATBSUXOGWIGGCU-QMMMGPOBSA-N 0 0 196.246 1.111 10 0 ADAERN Cc1cc(C=O)c(C[C@H](C)O)cc1F 257949611 573129202 /nfs/dbraw/zinc/12/92/02/573129202.db2.gz ATQORJRSRXFXEF-QMMMGPOBSA-N 0 0 196.221 1.870 10 0 ADAERN CC[C@H]1CC(=O)NC[C@@H](C)C1 238282155 573129215 /nfs/dbraw/zinc/12/92/15/573129215.db2.gz GTFXAUWYAGSZFD-JGVFFNPUSA-N 0 0 155.241 1.559 10 0 ADAERN CC[C@](C)(Cl)CCO 238282090 573129225 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CCc1nc(CO)[nH]c1C(F)(F)F 238282478 573129499 /nfs/dbraw/zinc/12/94/99/573129499.db2.gz JGGATRMTBMQHNA-UHFFFAOYSA-N 0 0 194.156 1.483 10 0 ADAERN Cc1nccc(-n2ccnc2C)n1 82615606 573129500 /nfs/dbraw/zinc/12/95/00/573129500.db2.gz QYPMHUMDSQGAOU-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CC[C@@H]1C[C@H](C(C)=O)[C@@H](C)O1 238281613 573129510 /nfs/dbraw/zinc/12/95/10/573129510.db2.gz CXTLHPIBUFUJBA-IWSPIJDZSA-N 0 0 156.225 1.779 10 0 ADAERN Nc1cnc(Oc2ccccc2O)o1 257950792 573129531 /nfs/dbraw/zinc/12/95/31/573129531.db2.gz XAGMWMUNSRUOOZ-UHFFFAOYSA-N 0 0 192.174 1.755 10 0 ADAERN Cc1cc(C)nc(-n2ccnc2C)n1 82615620 573129541 /nfs/dbraw/zinc/12/95/41/573129541.db2.gz NDTAEOOPMPMPNB-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN CC[C@H]1C(=O)N[C@H]1c1csc(C)n1 238281887 573129547 /nfs/dbraw/zinc/12/95/47/573129547.db2.gz AZBMYGGLIABQBQ-HTRCEHHLSA-N 0 0 196.275 1.649 10 0 ADAERN Clc1ccc(-n2cccn2)nc1 82615550 573129564 /nfs/dbraw/zinc/12/95/64/573129564.db2.gz MFBBOYIMZNGMMP-UHFFFAOYSA-N 0 0 179.610 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573129945 /nfs/dbraw/zinc/12/99/45/573129945.db2.gz SPCZITZTFZJBDI-VIFPVBQESA-N 0 0 189.255 1.140 10 0 ADAERN c1ccn([C@H]2CCOC2)c1 82615186 573129977 /nfs/dbraw/zinc/12/99/77/573129977.db2.gz IMKPCUZCKLADFA-QMMMGPOBSA-N 0 0 137.182 1.450 10 0 ADAERN NCC(=O)c1ccc(Cl)cc1N 257950409 573130026 /nfs/dbraw/zinc/13/00/26/573130026.db2.gz WBHMAOSTHWLAEK-UHFFFAOYSA-N 0 0 184.626 1.064 10 0 ADAERN CC(C)[C@H](O)CC(=O)c1nccn1C 141944352 573131198 /nfs/dbraw/zinc/13/11/98/573131198.db2.gz FQKCRPLPNMJHDI-MRVPVSSYSA-N 0 0 196.250 1.010 10 0 ADAERN CC1(CC(N)=O)CCC1 104655604 573130055 /nfs/dbraw/zinc/13/00/55/573130055.db2.gz JWLRYTVVCBAQAV-UHFFFAOYSA-N 0 0 127.187 1.052 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)[C@@H](C)CSC 689920441 573130074 /nfs/dbraw/zinc/13/00/74/573130074.db2.gz NAJMETMEOJKQAJ-BIIVOSGPSA-N 0 0 188.292 1.590 10 0 ADAERN COCc1ccc(CO)cc1Cl 257949596 573130080 /nfs/dbraw/zinc/13/00/80/573130080.db2.gz ATIIIEVKKGUMLD-UHFFFAOYSA-N 0 0 186.638 1.979 10 0 ADAERN NOCc1cc(F)c(F)c(F)c1F 259336913 573130091 /nfs/dbraw/zinc/13/00/91/573130091.db2.gz FNUOXFTXQRSJSJ-UHFFFAOYSA-N 0 0 195.115 1.633 10 0 ADAERN CN1CC[C@@H](c2ccco2)C(=O)C1 258532611 573130097 /nfs/dbraw/zinc/13/00/97/573130097.db2.gz HLUVCULEJXZCNT-MRVPVSSYSA-N 0 0 179.219 1.268 10 0 ADAERN CO[C@@H]1C(Cl)=CC=C[C@@]1(N)Cl 114877279 573130101 /nfs/dbraw/zinc/13/01/01/573130101.db2.gz GGCPQFAYURQNGS-RQJHMYQMSA-N 0 0 194.061 1.588 10 0 ADAERN Cl/C=C/Cn1cncn1 82615466 573130102 /nfs/dbraw/zinc/13/01/02/573130102.db2.gz SPXMZGPQKXANJM-OWOJBTEDSA-N 0 0 143.577 1.031 10 0 ADAERN Cc1cc(C)n(CCn2cccn2)n1 82615089 573130124 /nfs/dbraw/zinc/13/01/24/573130124.db2.gz CSQGMNBHXZLESZ-UHFFFAOYSA-N 0 0 190.250 1.397 10 0 ADAERN COc1c(CO)cccc1C[C@@H](C)O 257949584 573130127 /nfs/dbraw/zinc/13/01/27/573130127.db2.gz ATBSUXOGWIGGCU-MRVPVSSYSA-N 0 0 196.246 1.111 10 0 ADAERN CCc1nc(C(=O)[O-])[nH]c1C1CC1 257949382 573130133 /nfs/dbraw/zinc/13/01/33/573130133.db2.gz WBDDJWWGWNLLEA-UHFFFAOYSA-N 0 0 180.207 1.548 10 0 ADAERN CCc1nccn1-c1ncccn1 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162.236 1.534 10 0 ADAERN CCSCC[NH2+]Cc1ccncc1 128864247 573130516 /nfs/dbraw/zinc/13/05/16/573130516.db2.gz RYCXGOTUGBJKMV-UHFFFAOYSA-N 0 0 196.319 1.924 10 0 ADAERN COC[C@@H](C)CC(=O)OC1CCC1 308272440 573130525 /nfs/dbraw/zinc/13/05/25/573130525.db2.gz SVERPIXOFZBJKU-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)[C@@H](C)[C@@H](C)C(N)=O 104657233 573130548 /nfs/dbraw/zinc/13/05/48/573130548.db2.gz OELCANXEQHTGOX-RNFRBKRXSA-N 0 0 143.230 1.400 10 0 ADAERN CC[C@@H]1N[C@H](C(C)(C)C)N=C1OC 238288972 573130551 /nfs/dbraw/zinc/13/05/51/573130551.db2.gz QLOZWUABWLGELG-CBAPKCEASA-N 0 0 184.283 1.785 10 0 ADAERN CC[C@@H]1C[C@H](C(=O)OC)CC[C@@H]1O 238281507 573130558 /nfs/dbraw/zinc/13/05/58/573130558.db2.gz YLRPDEPBRNEPJC-HLTSFMKQSA-N 0 0 186.251 1.347 10 0 ADAERN CCOc1ccc(CO)c(N)c1 238282452 573130564 /nfs/dbraw/zinc/13/05/64/573130564.db2.gz FWTRNDYDIYZROK-UHFFFAOYSA-N 0 0 167.208 1.160 10 0 ADAERN CCc1ccc(NC=O)cc1NC=O 238282351 573130590 /nfs/dbraw/zinc/13/05/90/573130590.db2.gz ZXRIKRICPOGUDQ-UHFFFAOYSA-N 0 0 192.218 1.386 10 0 ADAERN Cc1nc(N)ccc1-c1ccnn1C 85729258 573130592 /nfs/dbraw/zinc/13/05/92/573130592.db2.gz ACCLUUIMZFFXPB-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC=C=CC(C)(C)C(N)=O 104658361 573130609 /nfs/dbraw/zinc/13/06/09/573130609.db2.gz QXYQRXLKGLUARP-UHFFFAOYSA-N 0 0 139.198 1.229 10 0 ADAERN CC[C@@H](O)[C@](C)(O)c1cccnc1 238281762 573130614 /nfs/dbraw/zinc/13/06/14/573130614.db2.gz YSUHRWPURGMBSH-NXEZZACHSA-N 0 0 181.235 1.060 10 0 ADAERN CCO[C@H]1C[C@@H]1C(=O)c1ccsn1 689920414 573130616 /nfs/dbraw/zinc/13/06/16/573130616.db2.gz NABBQLHUHHRWBZ-XPUUQOCRSA-N 0 0 197.259 1.751 10 0 ADAERN CC(C)(O)CNC(C)(C)C(C)(F)F 405891544 573130621 /nfs/dbraw/zinc/13/06/21/573130621.db2.gz QIKUKCKQGYXDMY-UHFFFAOYSA-N 0 0 195.253 1.781 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)Cc1ccccc1 689920354 573130633 /nfs/dbraw/zinc/13/06/33/573130633.db2.gz MVWOLPMRBMFOQW-ZYHUDNBSSA-N 0 0 190.242 1.833 10 0 ADAERN Oc1ccccc1[C@@H]1CNOC1 258533953 573130692 /nfs/dbraw/zinc/13/06/92/573130692.db2.gz NQZXZDZTMZLUBI-SSDOTTSWSA-N 0 0 165.192 1.011 10 0 ADAERN Cc1cnnc(S[C@H](C)CO)c1 235475814 573130696 /nfs/dbraw/zinc/13/06/96/573130696.db2.gz UUYUUJKDGBNWRM-SSDOTTSWSA-N 0 0 184.264 1.258 10 0 ADAERN CC[C@@]12CCC(C)C(=CC1=O)C2=O 238281783 573130710 /nfs/dbraw/zinc/13/07/10/573130710.db2.gz TWZJKALHLZPOQM-LDYMZIIASA-N 0 0 178.231 1.891 10 0 ADAERN CCC[C@@H]1[C@H](O)CC12CC2 238283173 573131328 /nfs/dbraw/zinc/13/13/28/573131328.db2.gz BXWFJQNRPVVPNT-HTQZYQBOSA-N 0 0 140.226 1.948 10 0 ADAERN C/C=C(\CCCC)C(N)=O 104658170 573130757 /nfs/dbraw/zinc/13/07/57/573130757.db2.gz CBBQHYFBEMUJII-QPJJXVBHSA-N 0 0 141.214 1.608 10 0 ADAERN CN(C)C(C)(C)C(=O)c1ccco1 85734384 573130760 /nfs/dbraw/zinc/13/07/60/573130760.db2.gz WVCIURKAILXWPF-UHFFFAOYSA-N 0 0 181.235 1.803 10 0 ADAERN CCC[C@@H](C)[C@H](C)C(N)=O 104657219 573130765 /nfs/dbraw/zinc/13/07/65/573130765.db2.gz QRHGBXWTVIEMKQ-RQJHMYQMSA-N 0 0 143.230 1.544 10 0 ADAERN CCOC(=O)[C@@H](N)C1(CC)CCC1 686134212 573130790 /nfs/dbraw/zinc/13/07/90/573130790.db2.gz VSQOXFKCNVQXCF-MRVPVSSYSA-N 0 0 185.267 1.457 10 0 ADAERN CC(C)CCN[C@H](C)c1ncon1 308277065 573130816 /nfs/dbraw/zinc/13/08/16/573130816.db2.gz VLNAOCAQCOLHQD-MRVPVSSYSA-N 0 0 183.255 1.766 10 0 ADAERN c1csc(NCc2cnco2)n1 85733187 573130819 /nfs/dbraw/zinc/13/08/19/573130819.db2.gz VZSZPEFWYJLIQB-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN Cn1nc(C(F)(F)F)c(CO)c1F 114882944 573130846 /nfs/dbraw/zinc/13/08/46/573130846.db2.gz WIABTIBXPLJUKQ-UHFFFAOYSA-N 0 0 198.119 1.070 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)CCCC2 114845381 573130880 /nfs/dbraw/zinc/13/08/80/573130880.db2.gz ADTRIYZACNISHW-UHFFFAOYSA-N 0 0 163.220 1.562 10 0 ADAERN Cc1cc(F)cc(NC(N)=S)c1 85730521 573130897 /nfs/dbraw/zinc/13/08/97/573130897.db2.gz BPTPIXGNAXGBOT-UHFFFAOYSA-N 0 0 184.239 1.790 10 0 ADAERN CCO[C@H]1C[C@H]1C(=O)c1ccsn1 689920409 573130900 /nfs/dbraw/zinc/13/09/00/573130900.db2.gz NABBQLHUHHRWBZ-SVRRBLITSA-N 0 0 197.259 1.751 10 0 ADAERN CCC(CC)[C@@H](C)NC(N)=O 82631913 573130905 /nfs/dbraw/zinc/13/09/05/573130905.db2.gz YFYKSFZCKHKFKY-ZCFIWIBFSA-N 0 0 158.245 1.479 10 0 ADAERN ONCc1cccc(C2(O)CC2)c1 259336770 573130907 /nfs/dbraw/zinc/13/09/07/573130907.db2.gz FKXGGJXPEQTEFC-UHFFFAOYSA-N 0 0 179.219 1.147 10 0 ADAERN CCSCCOC(=O)NC 238283072 573130925 /nfs/dbraw/zinc/13/09/25/573130925.db2.gz DHGLOOADEASDPY-UHFFFAOYSA-N 0 0 163.242 1.096 10 0 ADAERN CC[C@@H](O)[C@](C)(O)c1ccccn1 238281746 573130936 /nfs/dbraw/zinc/13/09/36/573130936.db2.gz FLVAASXDJORJBO-NXEZZACHSA-N 0 0 181.235 1.060 10 0 ADAERN CC(C)[C@H](C)[C@@H](C)C(N)=O 104657238 573130944 /nfs/dbraw/zinc/13/09/44/573130944.db2.gz OELCANXEQHTGOX-NKWVEPMBSA-N 0 0 143.230 1.400 10 0 ADAERN COC(=O)c1ncc2ccoc2n1 259338724 573131621 /nfs/dbraw/zinc/13/16/21/573131621.db2.gz LQVDTMBXTSJPLA-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN CCOC(=O)Nc1cccnc1C 85728755 573130950 /nfs/dbraw/zinc/13/09/50/573130950.db2.gz CWPUHHOFMDIPNZ-UHFFFAOYSA-N 0 0 180.207 1.958 10 0 ADAERN CC(=O)C(F)(Cl)Cl 141958113 573130958 /nfs/dbraw/zinc/13/09/58/573130958.db2.gz URZNXXFGXNRGIO-UHFFFAOYSA-N 0 0 144.960 1.676 10 0 ADAERN CC[C@@H]1C[C@H](CO)O[C@@H]1C 238282864 573130996 /nfs/dbraw/zinc/13/09/96/573130996.db2.gz VHJMRVZFCKEIQS-BWZBUEFSSA-N 0 0 144.214 1.182 10 0 ADAERN C[C@H](O)Cc1cc(O)ccc1F 257952149 573130999 /nfs/dbraw/zinc/13/09/99/573130999.db2.gz FVPSVKFELDNAGA-LURJTMIESA-N 0 0 170.183 1.455 10 0 ADAERN C/C=C(\C(N)=O)C(C)(C)C 104657248 573131016 /nfs/dbraw/zinc/13/10/16/573131016.db2.gz WDEYZSWMISGKNO-AATRIKPKSA-N 0 0 141.214 1.464 10 0 ADAERN Cn1ccc(=S)cc1N 104657896 573131036 /nfs/dbraw/zinc/13/10/36/573131036.db2.gz NHXCEXTWGRQSNW-UHFFFAOYSA-N 0 0 140.211 1.337 10 0 ADAERN CCc1cc(N)cc(=O)n1CC 258532757 573131045 /nfs/dbraw/zinc/13/10/45/573131045.db2.gz NPVLLQUTGMFFGG-UHFFFAOYSA-N 0 0 166.224 1.013 10 0 ADAERN CC[C@@H](O)[C@]1(C)CCOC1 238281921 573131066 /nfs/dbraw/zinc/13/10/66/573131066.db2.gz ZEVMJNUBTZNDKD-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H](CO)COC(=O)CCC(F)F 308277345 573131079 /nfs/dbraw/zinc/13/10/79/573131079.db2.gz VPPHDPHHSUVEFI-ZCFIWIBFSA-N 0 0 196.193 1.203 10 0 ADAERN CC/C(=C/[C@H](O)CC)CO 238282562 573131092 /nfs/dbraw/zinc/13/10/92/573131092.db2.gz VZZJUZHJURPAEY-GRKOMRHMSA-N 0 0 144.214 1.086 10 0 ADAERN c1ccc(CCn2cccn2)nc1 82620022 573131106 /nfs/dbraw/zinc/13/11/06/573131106.db2.gz XRPLXCNVPWOMTM-UHFFFAOYSA-N 0 0 173.219 1.521 10 0 ADAERN CC[C@@](C)(C(C)=O)N(C)N=O 238282542 573131111 /nfs/dbraw/zinc/13/11/11/573131111.db2.gz UMVOJYQENXKAAV-ZETCQYMHSA-N 0 0 158.201 1.357 10 0 ADAERN CCc1[nH]c(C(=O)N(C)C)c(C)c1C 238281873 573131114 /nfs/dbraw/zinc/13/11/14/573131114.db2.gz GNNJDBNTTANTDY-UHFFFAOYSA-N 0 0 194.278 1.896 10 0 ADAERN Cc1cc(F)cc2c1C(=O)C(=O)N2 85730515 573131123 /nfs/dbraw/zinc/13/11/23/573131123.db2.gz SPZDDYCNINWHCA-UHFFFAOYSA-N 0 0 179.150 1.269 10 0 ADAERN CCc1[nH]c(=S)nc(NC)c1N 238281815 573131321 /nfs/dbraw/zinc/13/13/21/573131321.db2.gz SXNPLPWYJZHQHO-UHFFFAOYSA-N 0 0 184.268 1.325 10 0 ADAERN Cc1nc[nH]c1CNc1nccs1 85733643 573131271 /nfs/dbraw/zinc/13/12/71/573131271.db2.gz PHCAUEUDPVNBQQ-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CCC[C@H]1[C@@H](CO)[C@@H]1C 238281735 573131284 /nfs/dbraw/zinc/13/12/84/573131284.db2.gz RHQHLOMYVOIENV-PRJMDXOYSA-N 0 0 128.215 1.661 10 0 ADAERN CCOCCn1cccc1C 238281710 573131297 /nfs/dbraw/zinc/13/12/97/573131297.db2.gz LGIITXYNZYEUKH-UHFFFAOYSA-N 0 0 153.225 1.833 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)NN2)c(C)c1 220358804 573131345 /nfs/dbraw/zinc/13/13/45/573131345.db2.gz JJWASGOCXFMTCU-JTQLQIEISA-N 0 0 190.246 1.369 10 0 ADAERN [NH3+][C@H](CC1(F)CCCC1)C(=O)[O-] 114876401 573131353 /nfs/dbraw/zinc/13/13/53/573131353.db2.gz GBIUSBKVKIKNDL-ZCFIWIBFSA-N 0 0 175.203 1.071 10 0 ADAERN Cc1ncccc1NC(N)=S 85726918 573131420 /nfs/dbraw/zinc/13/14/20/573131420.db2.gz VTNBMVVTKIJMSK-UHFFFAOYSA-N 0 0 167.237 1.046 10 0 ADAERN O[C@@H]1C[C@@H]2CCOc3cccc1c32 82618514 573131432 /nfs/dbraw/zinc/13/14/32/573131432.db2.gz JINXRUCTZBSEFH-IONNQARKSA-N 0 0 176.215 1.990 10 0 ADAERN CC[C@H]1C(=O)C[C@@H]2CC(=O)C[C@@H]21 238281920 573131460 /nfs/dbraw/zinc/13/14/60/573131460.db2.gz IEPRUMSZVGNJMP-ZQARSLAVSA-N 0 0 166.220 1.581 10 0 ADAERN OC1(C[C@H]2CCCCO2)CCC1 257953339 573131494 /nfs/dbraw/zinc/13/14/94/573131494.db2.gz IUGIRKYFPBXNBP-SECBINFHSA-N 0 0 170.252 1.861 10 0 ADAERN CCn1ncc2c1NC(=O)C[C@@H]2C 238281485 573131502 /nfs/dbraw/zinc/13/15/02/573131502.db2.gz VUJBSCBPFVBIJF-LURJTMIESA-N 0 0 179.223 1.349 10 0 ADAERN Cc1noc2c(CCO)cccc12 257952106 573131507 /nfs/dbraw/zinc/13/15/07/573131507.db2.gz FTQKHIQDFLRODN-UHFFFAOYSA-N 0 0 177.203 1.671 10 0 ADAERN Nc1cnc(N)c(-c2ccccn2)c1 114835351 573131528 /nfs/dbraw/zinc/13/15/28/573131528.db2.gz NKAFPLNPYXZGDX-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN OC1(C[C@@H]2CCCCO2)CCC1 257953341 573131555 /nfs/dbraw/zinc/13/15/55/573131555.db2.gz IUGIRKYFPBXNBP-VIFPVBQESA-N 0 0 170.252 1.861 10 0 ADAERN CC[C@H]1C(=O)N[C@H]1c1cccs1 238281870 573131568 /nfs/dbraw/zinc/13/15/68/573131568.db2.gz SSWNGAGJFNGWNI-HTRCEHHLSA-N 0 0 181.260 1.945 10 0 ADAERN COc1c(O)ccc(C)c1CO 257952113 573131574 /nfs/dbraw/zinc/13/15/74/573131574.db2.gz FTWQOYAVXSJGLY-UHFFFAOYSA-N 0 0 168.192 1.202 10 0 ADAERN CCO[C@H]1CCCC[C@H]1NC(C)=O 114887920 573131587 /nfs/dbraw/zinc/13/15/87/573131587.db2.gz OJCBJJZQBPVNBI-ZJUUUORDSA-N 0 0 185.267 1.470 10 0 ADAERN CCC[C@H](C)[C@@H](C)C(N)=O 104657216 573131588 /nfs/dbraw/zinc/13/15/88/573131588.db2.gz QRHGBXWTVIEMKQ-NKWVEPMBSA-N 0 0 143.230 1.544 10 0 ADAERN CCc1ncc(C(N)=O)cc1C 238282590 573131603 /nfs/dbraw/zinc/13/16/03/573131603.db2.gz RWAKXLUXEDJXRT-UHFFFAOYSA-N 0 0 164.208 1.051 10 0 ADAERN CCOC(=O)NC[C@@](C)(O)C(C)C 308272048 573131624 /nfs/dbraw/zinc/13/16/24/573131624.db2.gz SPCZITZTFZJBDI-SECBINFHSA-N 0 0 189.255 1.140 10 0 ADAERN C[C@H](Cc1nnc(N)o1)C(C)(C)C 82628124 573131649 /nfs/dbraw/zinc/13/16/49/573131649.db2.gz FWHWFRKXKJBNQE-ZCFIWIBFSA-N 0 0 183.255 1.877 10 0 ADAERN O=C1C=NNC1c1ccccc1F 257951861 573131666 /nfs/dbraw/zinc/13/16/66/573131666.db2.gz WIDAZPKWRDPSFW-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN Cc1ccc(CCC[NH3+])cc1C(=O)[O-] 257951714 573131716 /nfs/dbraw/zinc/13/17/16/573131716.db2.gz AYHMCMJQNANHGL-UHFFFAOYSA-N 0 0 193.246 1.585 10 0 ADAERN CCCC[C@H]1CC[C@@H](C(=O)[O-])[NH2+]1 141948436 573131795 /nfs/dbraw/zinc/13/17/95/573131795.db2.gz YTRCPZFYGUKOQZ-YUMQZZPRSA-N 0 0 171.240 1.382 10 0 ADAERN CCOC(=O)c1c(F)ccc(N)c1N 114883157 573133557 /nfs/dbraw/zinc/13/35/57/573133557.db2.gz PLRVSTFCRXBVEU-UHFFFAOYSA-N 0 0 198.197 1.167 10 0 ADAERN COc1c(CO)ccc(F)c1O 257952110 573131849 /nfs/dbraw/zinc/13/18/49/573131849.db2.gz FTTQGEXHGJKOFQ-UHFFFAOYSA-N 0 0 172.155 1.032 10 0 ADAERN C[C@@H](Cc1ccsc1)C(N)=O 114873618 573131860 /nfs/dbraw/zinc/13/18/60/573131860.db2.gz ZBJUQEIZJWXXOC-LURJTMIESA-N 0 0 169.249 1.412 10 0 ADAERN Fc1coc(F)c1 141909730 573131870 /nfs/dbraw/zinc/13/18/70/573131870.db2.gz ZCRXHMBVIKGRTA-UHFFFAOYSA-N 0 0 104.055 1.558 10 0 ADAERN Cn1cnc2cccc(CCCO)c21 257951771 573131924 /nfs/dbraw/zinc/13/19/24/573131924.db2.gz BBOJTLZEEMLGJS-UHFFFAOYSA-N 0 0 190.246 1.498 10 0 ADAERN CC(C)C1CC(C(N)=O)C1 104656594 573131926 /nfs/dbraw/zinc/13/19/26/573131926.db2.gz QEBGCFYRXHJPAL-UHFFFAOYSA-N 0 0 141.214 1.154 10 0 ADAERN O=C([O-])[C@H]1CC[N@@H+]2CCCC[C@@H]2C1 141945065 573131954 /nfs/dbraw/zinc/13/19/54/573131954.db2.gz DALMIUUEJAKXQZ-DTWKUNHWSA-N 0 0 183.251 1.336 10 0 ADAERN Clc1c2c(nc3ccnn13)CCC2 82617814 573131958 /nfs/dbraw/zinc/13/19/58/573131958.db2.gz QHYNJLRTYZMSDP-UHFFFAOYSA-N 0 0 193.637 1.871 10 0 ADAERN CCn1c(C2CC2)cc(N)cc1=O 257951985 573131966 /nfs/dbraw/zinc/13/19/66/573131966.db2.gz WKKUBORBFVXQTE-UHFFFAOYSA-N 0 0 178.235 1.328 10 0 ADAERN CC(C)=C[C@]1(O)CC[C@@H](C)OC1 401820005 573131990 /nfs/dbraw/zinc/13/19/90/573131990.db2.gz JNPMYSSALHBEPJ-NXEZZACHSA-N 0 0 170.252 1.883 10 0 ADAERN CN(CCCCO)c1cc[nH]c1 259034879 573132000 /nfs/dbraw/zinc/13/20/00/573132000.db2.gz OZLFYRSGGNYNQY-UHFFFAOYSA-N 0 0 168.240 1.223 10 0 ADAERN CCN(CC)C(=O)NC(F)(F)F 141938247 573132013 /nfs/dbraw/zinc/13/20/13/573132013.db2.gz UUIXGKVSOAKVQY-UHFFFAOYSA-N 0 0 184.161 1.558 10 0 ADAERN Cn1cncc1CNc1nccs1 85733655 573132016 /nfs/dbraw/zinc/13/20/16/573132016.db2.gz XANWZFZSJAZLMJ-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN CC(N)=CC(=O)OCc1ccco1 215527812 573132211 /nfs/dbraw/zinc/13/22/11/573132211.db2.gz ONZDDJIZFNRKNP-FNORWQNLSA-N 0 0 181.191 1.185 10 0 ADAERN C[C@H]1COCCc2c[nH]c(C=O)c21 74305277 573132068 /nfs/dbraw/zinc/13/20/68/573132068.db2.gz DDBGVUAAHWKCQA-ZETCQYMHSA-N 0 0 179.219 1.503 10 0 ADAERN CC(C)(C)c1ccc(NCCO)nn1 259339026 573132074 /nfs/dbraw/zinc/13/20/74/573132074.db2.gz QSJDZJYSJLXGRB-UHFFFAOYSA-N 0 0 195.266 1.178 10 0 ADAERN C[C@@H]1CCS1 114875098 573132080 /nfs/dbraw/zinc/13/20/80/573132080.db2.gz DUTRXPYVMIFJQZ-SCSAIBSYSA-N 0 0 88.175 1.512 10 0 ADAERN CCCc1oc(N)nc1C 104658650 573132125 /nfs/dbraw/zinc/13/21/25/573132125.db2.gz AWMCJIPXIPCFPU-UHFFFAOYSA-N 0 0 140.186 1.518 10 0 ADAERN O=C1[C@H]2C[C@H]2CN1C1CCCCC1 257952805 573132149 /nfs/dbraw/zinc/13/21/49/573132149.db2.gz LQDXHDDLMJIILI-WPRPVWTQSA-N 0 0 179.263 1.797 10 0 ADAERN OCc1coc(-c2cccc(O)c2)n1 257952793 573132175 /nfs/dbraw/zinc/13/21/75/573132175.db2.gz FXRFDQUTMQWLRR-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CC(C)=C[C@]1(O)CC[C@H](C)OC1 401820009 573132178 /nfs/dbraw/zinc/13/21/78/573132178.db2.gz JNPMYSSALHBEPJ-VHSXEESVSA-N 0 0 170.252 1.883 10 0 ADAERN OC[C@@H]1CCCCCS1 258533983 573132187 /nfs/dbraw/zinc/13/21/87/573132187.db2.gz NSJCBIXKFICWRT-ZETCQYMHSA-N 0 0 146.255 1.655 10 0 ADAERN NC(=O)C1=C(Cl)CCC1 104656686 573132193 /nfs/dbraw/zinc/13/21/93/573132193.db2.gz HLFQXMLCYQOPNV-UHFFFAOYSA-N 0 0 145.589 1.149 10 0 ADAERN O=Cc1ccoc1CN1CCCC1 74305270 573132196 /nfs/dbraw/zinc/13/21/96/573132196.db2.gz SMHXJKGGIONHFZ-UHFFFAOYSA-N 0 0 179.219 1.688 10 0 ADAERN C[C@H](O)[C@@H](F)Cc1ccc(O)cc1 257951934 573132198 /nfs/dbraw/zinc/13/21/98/573132198.db2.gz WJLZLQPRRXLCTD-XVKPBYJWSA-N 0 0 184.210 1.654 10 0 ADAERN CC(=O)Cc1ccc(C2(O)CC2)cc1 259336831 573132204 /nfs/dbraw/zinc/13/22/04/573132204.db2.gz FMJGMSULGPMHIG-UHFFFAOYSA-N 0 0 190.242 1.800 10 0 ADAERN Cc1ccc(N(C)CCCCO)o1 259034852 573132243 /nfs/dbraw/zinc/13/22/43/573132243.db2.gz OYXVJAIKPSXRQH-UHFFFAOYSA-N 0 0 183.251 1.797 10 0 ADAERN C[C@@H](CCNN)C(C)(C)C 82628119 573132244 /nfs/dbraw/zinc/13/22/44/573132244.db2.gz WKCGGRIHFAHVKB-ZETCQYMHSA-N 0 0 144.262 1.522 10 0 ADAERN CCc1nc2c(o1)CC[C@@H](CO)C2 74302263 573132258 /nfs/dbraw/zinc/13/22/58/573132258.db2.gz PDSUCUJZVGRPSP-SSDOTTSWSA-N 0 0 181.235 1.334 10 0 ADAERN CCCCNC(=O)Nc1cc(C)[nH]n1 82617677 573132261 /nfs/dbraw/zinc/13/22/61/573132261.db2.gz MOPYDXDJTNZNJP-UHFFFAOYSA-N 0 0 196.254 1.640 10 0 ADAERN CC(C)[C@@H](O)CC(=O)OCC(F)F 308277984 573132298 /nfs/dbraw/zinc/13/22/98/573132298.db2.gz VVSYITSABHXKJR-LURJTMIESA-N 0 0 196.193 1.202 10 0 ADAERN CC(N)=CC(=O)OCc1ccco1 215527861 573132319 /nfs/dbraw/zinc/13/23/19/573132319.db2.gz ONZDDJIZFNRKNP-ALCCZGGFSA-N 0 0 181.191 1.185 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)Cc1ccccc1 689920342 573132331 /nfs/dbraw/zinc/13/23/31/573132331.db2.gz MVWOLPMRBMFOQW-JQWIXIFHSA-N 0 0 190.242 1.833 10 0 ADAERN CC(C)[C@@H](C)[C@H](C)C(N)=O 104657241 573132354 /nfs/dbraw/zinc/13/23/54/573132354.db2.gz OELCANXEQHTGOX-RQJHMYQMSA-N 0 0 143.230 1.400 10 0 ADAERN CCOC[C@@H](C)CCO 238284380 573132376 /nfs/dbraw/zinc/13/23/76/573132376.db2.gz BKBNMJJARZZBKP-ZETCQYMHSA-N 0 0 132.203 1.041 10 0 ADAERN Cc1cc(N)cc(C(=O)OCCF)c1 131962795 573132378 /nfs/dbraw/zinc/13/23/78/573132378.db2.gz CTQFJCJGZZNKAJ-UHFFFAOYSA-N 0 0 197.209 1.704 10 0 ADAERN CC[C@@H]1CC[C@H](C(C)=O)[C@@H](O)C1 114864532 573132382 /nfs/dbraw/zinc/13/23/82/573132382.db2.gz XKDBGFUNZJWHPX-BBBLOLIVSA-N 0 0 170.252 1.763 10 0 ADAERN Oc1cccc2c1NCC1(CC1)N2 259336565 573132393 /nfs/dbraw/zinc/13/23/93/573132393.db2.gz SUMUADSRPSFNMI-UHFFFAOYSA-N 0 0 176.219 1.762 10 0 ADAERN NOCc1ccc(O)c(F)c1F 257952161 573132395 /nfs/dbraw/zinc/13/23/95/573132395.db2.gz FWCKIHFOVOHIAR-UHFFFAOYSA-N 0 0 175.134 1.061 10 0 ADAERN CCNC(=O)CC1C=CC=CC=C1 238283557 573132421 /nfs/dbraw/zinc/13/24/21/573132421.db2.gz IDJZHOQNWBUJBY-UHFFFAOYSA-N 0 0 177.247 1.811 10 0 ADAERN CC(C)Cc1ncc(N)cc1N 258536017 573133712 /nfs/dbraw/zinc/13/37/12/573133712.db2.gz NYPHMNSTQCAUEA-UHFFFAOYSA-N 0 0 165.240 1.445 10 0 ADAERN CCC(CC)[C@@H](C)NC(N)=S 82631874 573132435 /nfs/dbraw/zinc/13/24/35/573132435.db2.gz NZKNJJCRKDSNKY-ZCFIWIBFSA-N 0 0 174.313 1.644 10 0 ADAERN CC[C@]12CCC(=O)N[C@H]1C[C@@H](O)CC2 238283495 573132439 /nfs/dbraw/zinc/13/24/39/573132439.db2.gz LCYFNFQJSZYHBD-QXEWZRGKSA-N 0 0 197.278 1.206 10 0 ADAERN CN1CC[C@H](c2ccco2)C(=O)C1 258532615 573132483 /nfs/dbraw/zinc/13/24/83/573132483.db2.gz HLUVCULEJXZCNT-QMMMGPOBSA-N 0 0 179.219 1.268 10 0 ADAERN COC(=O)c1cc(SC)[nH]c1C 141943412 573132612 /nfs/dbraw/zinc/13/26/12/573132612.db2.gz VTPXENBGUFPHNB-UHFFFAOYSA-N 0 0 185.248 1.832 10 0 ADAERN CC[C@H]1C(=O)CCC[C@@]1(C)O 238283954 573132613 /nfs/dbraw/zinc/13/26/13/573132613.db2.gz UIHFYLIFXSRVLU-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN Oc1ccccc1[C@H]1CNOC1 258533954 573132615 /nfs/dbraw/zinc/13/26/15/573132615.db2.gz NQZXZDZTMZLUBI-ZETCQYMHSA-N 0 0 165.192 1.011 10 0 ADAERN NOCC[C@@H]1CCCCS1 258534051 573132622 /nfs/dbraw/zinc/13/26/22/573132622.db2.gz NULNZQOLSSLOTO-ZETCQYMHSA-N 0 0 161.270 1.553 10 0 ADAERN Cc1cccc(SNN)c1 259336405 573132636 /nfs/dbraw/zinc/13/26/36/573132636.db2.gz XNXIBXVNADINBR-UHFFFAOYSA-N 0 0 154.238 1.465 10 0 ADAERN CCO[C@H]1OC(=O)C=C1CC 238299072 573132644 /nfs/dbraw/zinc/13/26/44/573132644.db2.gz WEOVTVKKMISQLD-QMMMGPOBSA-N 0 0 156.181 1.242 10 0 ADAERN Cc1nc2cccc(CON)c2s1 257951691 573132654 /nfs/dbraw/zinc/13/26/54/573132654.db2.gz AXCMZWMSOJJMAI-UHFFFAOYSA-N 0 0 194.259 1.995 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)[C@@H](C)CSC 689920452 573132667 /nfs/dbraw/zinc/13/26/67/573132667.db2.gz NAJMETMEOJKQAJ-XLPZGREQSA-N 0 0 188.292 1.590 10 0 ADAERN CC[C@@H](C)Nc1nncn1C 238299034 573132668 /nfs/dbraw/zinc/13/26/68/573132668.db2.gz CDUCFNWEPOKLMG-ZCFIWIBFSA-N 0 0 154.217 1.026 10 0 ADAERN O=C1CCCC[C@H]1c1ncc[nH]1 141960129 573132688 /nfs/dbraw/zinc/13/26/88/573132688.db2.gz DXSNBNQPESMZHW-SSDOTTSWSA-N 0 0 164.208 1.636 10 0 ADAERN CCc1ccc(O)c2c1OCCO2 238283850 573132697 /nfs/dbraw/zinc/13/26/97/573132697.db2.gz XLCHAUVJSNTGLZ-UHFFFAOYSA-N 0 0 180.203 1.726 10 0 ADAERN NC1=NO[C@@H](c2ccccc2O)C1 257951834 573132706 /nfs/dbraw/zinc/13/27/06/573132706.db2.gz WHOICMLUOIXGOU-MRVPVSSYSA-N 0 0 178.191 1.126 10 0 ADAERN Cc1ccc(CO)cc1N(C)C 259336923 573132721 /nfs/dbraw/zinc/13/27/21/573132721.db2.gz FOEIJZVRACOTPV-UHFFFAOYSA-N 0 0 165.236 1.553 10 0 ADAERN CCSCc1cc(N)on1 257952384 573132758 /nfs/dbraw/zinc/13/27/58/573132758.db2.gz SJQFWWACFWFPMO-UHFFFAOYSA-N 0 0 158.226 1.510 10 0 ADAERN OCc1cc(C[C@@H]2CCCCO2)on1 259336624 573132767 /nfs/dbraw/zinc/13/27/67/573132767.db2.gz SUXIIFMICUVAOZ-VIFPVBQESA-N 0 0 197.234 1.279 10 0 ADAERN CCCn1nccc1C1(O)CCC1 85754332 573132772 /nfs/dbraw/zinc/13/27/72/573132772.db2.gz FEGKOYSBOXNWGV-UHFFFAOYSA-N 0 0 180.251 1.665 10 0 ADAERN CO[C@H](CO)c1ccc(C)cc1 141937904 573132799 /nfs/dbraw/zinc/13/27/99/573132799.db2.gz HXGSAPMVMUHWFC-SNVBAGLBSA-N 0 0 166.220 1.675 10 0 ADAERN CCn1cc(C2(O)CCC2)cn1 85754328 573132806 /nfs/dbraw/zinc/13/28/06/573132806.db2.gz FAVJIQJIOUYAGU-UHFFFAOYSA-N 0 0 166.224 1.275 10 0 ADAERN COCc1cc2c(N)cccc2[nH]1 257952740 573132809 /nfs/dbraw/zinc/13/28/09/573132809.db2.gz HDMJDZYYDUPDCX-UHFFFAOYSA-N 0 0 176.219 1.897 10 0 ADAERN CCc1[nH]nnc1-c1cccnc1 238283306 573132833 /nfs/dbraw/zinc/13/28/33/573132833.db2.gz UMWGYMGGXMCFOE-UHFFFAOYSA-N 0 0 174.207 1.429 10 0 ADAERN C[C@H](O)[C@@H]1CCCCC1=O 141956679 573132842 /nfs/dbraw/zinc/13/28/42/573132842.db2.gz JPVZXEQZCYRRNC-BQBZGAKWSA-N 0 0 142.198 1.127 10 0 ADAERN Nc1cnnc([C@H]2CCCS2)c1 259339835 573134076 /nfs/dbraw/zinc/13/40/76/573134076.db2.gz FONMEWUGRWMUCS-MRVPVSSYSA-N 0 0 181.264 1.627 10 0 ADAERN O=Cc1cccn1Cc1cscn1 82626579 573132870 /nfs/dbraw/zinc/13/28/70/573132870.db2.gz TZKIUNMYEQPBQA-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN Cc1c[nH]c(COc2cccnc2)n1 257952621 573132881 /nfs/dbraw/zinc/13/28/81/573132881.db2.gz XFKUYXSRKIXXBD-UHFFFAOYSA-N 0 0 189.218 1.692 10 0 ADAERN CC(C)=C[C@@]1(O)CC[C@@H](C)OC1 401820010 573132900 /nfs/dbraw/zinc/13/29/00/573132900.db2.gz JNPMYSSALHBEPJ-ZJUUUORDSA-N 0 0 170.252 1.883 10 0 ADAERN N#CNCCOC1CCCC1 82627416 573132910 /nfs/dbraw/zinc/13/29/10/573132910.db2.gz JBRXNTYROFPSMB-UHFFFAOYSA-N 0 0 154.213 1.016 10 0 ADAERN CCc1c(C(=O)OC)ccc(N)c1F 238299039 573132913 /nfs/dbraw/zinc/13/29/13/573132913.db2.gz VDCZJDLIGTUBMG-UHFFFAOYSA-N 0 0 197.209 1.757 10 0 ADAERN C[C@@H](O)[C@@H]1CCCCC1=O 141956480 573132945 /nfs/dbraw/zinc/13/29/45/573132945.db2.gz JPVZXEQZCYRRNC-RQJHMYQMSA-N 0 0 142.198 1.127 10 0 ADAERN CCNc1ncc(-c2ccc[nH]2)cn1 259338834 573133015 /nfs/dbraw/zinc/13/30/15/573133015.db2.gz HTOLAPNCELCZBE-UHFFFAOYSA-N 0 0 188.234 1.904 10 0 ADAERN C/C=C/CSC(N)=S 104658901 573133060 /nfs/dbraw/zinc/13/30/60/573133060.db2.gz GYKSWKWWRPLCOY-NSCUHMNNSA-N 0 0 147.268 1.539 10 0 ADAERN CCC(=O)C(C)(C)N1CCOCC1 85741724 573133072 /nfs/dbraw/zinc/13/30/72/573133072.db2.gz NXLHCZSMKCSROC-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN C[C@@H](O)[C@@H](F)Cc1ccc(O)cc1 257951932 573133079 /nfs/dbraw/zinc/13/30/79/573133079.db2.gz WJLZLQPRRXLCTD-XCBNKYQSSA-N 0 0 184.210 1.654 10 0 ADAERN CN1NCCc2ccccc21 114861695 573133096 /nfs/dbraw/zinc/13/30/96/573133096.db2.gz BOXONJFVXIVZGL-UHFFFAOYSA-N 0 0 148.209 1.184 10 0 ADAERN OCc1cc(C[C@H]2CCCCO2)on1 259336617 573133134 /nfs/dbraw/zinc/13/31/34/573133134.db2.gz SUXIIFMICUVAOZ-SECBINFHSA-N 0 0 197.234 1.279 10 0 ADAERN C[C@H](Cc1nc(N)n[nH]1)C(C)(C)C 82628122 573133259 /nfs/dbraw/zinc/13/32/59/573133259.db2.gz TUAVVBYJYMOQIB-ZCFIWIBFSA-N 0 0 182.271 1.612 10 0 ADAERN CC(C)c1cc(Cl)c(N)nn1 259339828 573133261 /nfs/dbraw/zinc/13/32/61/573133261.db2.gz FOKXBXXVASEXBL-UHFFFAOYSA-N 0 0 171.631 1.836 10 0 ADAERN Cc1ccc2c(c1CCCO)OCO2 257951773 573133273 /nfs/dbraw/zinc/13/32/73/573133273.db2.gz BBOSIFQZHMGZAQ-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN C/C=C(\C)[C@@H](O)[C@](C)(O)CC 238299108 573134125 /nfs/dbraw/zinc/13/41/25/573134125.db2.gz FWHIUPKYMSLYQQ-LKJMDQPVSA-N 0 0 158.241 1.475 10 0 ADAERN CSc1cc(C)c(O)cc1CO 257951774 573133330 /nfs/dbraw/zinc/13/33/30/573133330.db2.gz BBQXMPADIGASMP-UHFFFAOYSA-N 0 0 184.260 1.915 10 0 ADAERN COC(=O)[C@H]1Cc2cc(F)ccc2N1 114856947 573133342 /nfs/dbraw/zinc/13/33/42/573133342.db2.gz KPPIYNRNZYCUTR-SECBINFHSA-N 0 0 195.193 1.335 10 0 ADAERN CO[C@@H](CO)c1ccc(C)cc1 141937720 573133358 /nfs/dbraw/zinc/13/33/58/573133358.db2.gz HXGSAPMVMUHWFC-JTQLQIEISA-N 0 0 166.220 1.675 10 0 ADAERN C[C@H](CCNN)C(C)(C)C 82628120 573133362 /nfs/dbraw/zinc/13/33/62/573133362.db2.gz WKCGGRIHFAHVKB-SSDOTTSWSA-N 0 0 144.262 1.522 10 0 ADAERN CCOc1nccn1CC 257952436 573133376 /nfs/dbraw/zinc/13/33/76/573133376.db2.gz XDDQRYNONGJKLA-UHFFFAOYSA-N 0 0 140.186 1.302 10 0 ADAERN C[C@H](O)CCC(=O)OCC1CCC1 308278583 573133382 /nfs/dbraw/zinc/13/33/82/573133382.db2.gz WBPGFKCAWJJIPI-QMMMGPOBSA-N 0 0 186.251 1.491 10 0 ADAERN S=c1ncccs1 141953859 573133391 /nfs/dbraw/zinc/13/33/91/573133391.db2.gz LUHGFGQRLKZHFC-UHFFFAOYSA-N 0 0 129.209 1.873 10 0 ADAERN CCN1c2cccc(N)c2NC[C@@H]1C 259339675 573133416 /nfs/dbraw/zinc/13/34/16/573133416.db2.gz SXCJWWWCCBLYHH-QMMMGPOBSA-N 0 0 191.278 1.909 10 0 ADAERN CC(C)(O)CCC(F)F 257954047 573133418 /nfs/dbraw/zinc/13/34/18/573133418.db2.gz FYOZURRFDWTQPU-UHFFFAOYSA-N 0 0 138.157 1.803 10 0 ADAERN [NH3+][C@@H](CC1(F)CCCC1)C(=O)[O-] 114876399 573133441 /nfs/dbraw/zinc/13/34/41/573133441.db2.gz GBIUSBKVKIKNDL-LURJTMIESA-N 0 0 175.203 1.071 10 0 ADAERN CC[C@](C)(CCO)OC 114858095 573133449 /nfs/dbraw/zinc/13/34/49/573133449.db2.gz BXQSHESZNGFKSC-SSDOTTSWSA-N 0 0 132.203 1.184 10 0 ADAERN COc1c(CO)cccc1[C@H](C)CO 257951694 573133455 /nfs/dbraw/zinc/13/34/55/573133455.db2.gz AXHWQYLWCQXJCS-MRVPVSSYSA-N 0 0 196.246 1.283 10 0 ADAERN C[C@@H](Cc1nc(N)no1)C(C)(C)C 82628780 573133468 /nfs/dbraw/zinc/13/34/68/573133468.db2.gz DSXGNILTNNLMHP-LURJTMIESA-N 0 0 183.255 1.877 10 0 ADAERN CCC(CC)[C@H](C)NC(N)=O 82631917 573133497 /nfs/dbraw/zinc/13/34/97/573133497.db2.gz YFYKSFZCKHKFKY-LURJTMIESA-N 0 0 158.245 1.479 10 0 ADAERN NOCCc1ccc(Cl)c(N)c1 259336825 573133521 /nfs/dbraw/zinc/13/35/21/573133521.db2.gz FMEPQFPBHWEWNU-UHFFFAOYSA-N 0 0 186.642 1.355 10 0 ADAERN C[C@H](Cc1nc(N)no1)C(C)(C)C 82628781 573133526 /nfs/dbraw/zinc/13/35/26/573133526.db2.gz DSXGNILTNNLMHP-ZCFIWIBFSA-N 0 0 183.255 1.877 10 0 ADAERN CC[C@]12CCC(=O)N[C@@H]1C[C@@H](O)CC2 238283509 573133567 /nfs/dbraw/zinc/13/35/67/573133567.db2.gz LCYFNFQJSZYHBD-NGZCFLSTSA-N 0 0 197.278 1.206 10 0 ADAERN Cc1cc2c(c([C@H](C)CO)c1)OCO2 257951763 573133574 /nfs/dbraw/zinc/13/35/74/573133574.db2.gz BBBWQZTVHUBLKL-MRVPVSSYSA-N 0 0 194.230 1.820 10 0 ADAERN C[C@H](O)[C@H](F)Cc1ccc(O)cc1 257951931 573133587 /nfs/dbraw/zinc/13/35/87/573133587.db2.gz WJLZLQPRRXLCTD-OIBJUYFYSA-N 0 0 184.210 1.654 10 0 ADAERN 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/nfs/dbraw/zinc/13/38/62/573133862.db2.gz BATZNYKICLIQMU-UHFFFAOYSA-N 0 0 191.234 1.006 10 0 ADAERN Cc1noc([C@@H](C)N[C@@H](C)CF)n1 308280274 573133920 /nfs/dbraw/zinc/13/39/20/573133920.db2.gz WTLSPWYDALEBPR-NTSWFWBYSA-N 0 0 187.218 1.387 10 0 ADAERN C/C=C/C=C\COC(=O)[C@H](C)OC 308278223 573133936 /nfs/dbraw/zinc/13/39/36/573133936.db2.gz WPSCGLJXZVVHBB-IEFSYOPKSA-N 0 0 184.235 1.697 10 0 ADAERN CC(=O)Nc1ccc(F)c(C=O)c1F 141921402 573133942 /nfs/dbraw/zinc/13/39/42/573133942.db2.gz RROULKRJKOECPL-UHFFFAOYSA-N 0 0 199.156 1.736 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)c1ccnn1C 689921533 573133944 /nfs/dbraw/zinc/13/39/44/573133944.db2.gz OVNNSCQOUNLHLW-VXNVDRBHSA-N 0 0 194.234 1.028 10 0 ADAERN CC[C@H]1[C@@H](CC(=O)[O-])CCCC[N@@H+]1C 238283271 573133989 /nfs/dbraw/zinc/13/39/89/573133989.db2.gz MQBVIUFHUHXLLT-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H](Cc1ccsc1)C(N)=O 114873619 573134021 /nfs/dbraw/zinc/13/40/21/573134021.db2.gz ZBJUQEIZJWXXOC-ZCFIWIBFSA-N 0 0 169.249 1.412 10 0 ADAERN 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WGOAOEHQYVRROT-VIFPVBQESA-N 0 0 178.231 1.896 10 0 ADAERN O=Cc1c(Cl)nn2ccccc12 257951798 573134654 /nfs/dbraw/zinc/13/46/54/573134654.db2.gz WGPUDULPVDDLQN-UHFFFAOYSA-N 0 0 180.594 1.800 10 0 ADAERN CC(=O)Cc1ncc2c(O)cccn12 258535517 573134670 /nfs/dbraw/zinc/13/46/70/573134670.db2.gz MZUCLTDBCHPCHE-UHFFFAOYSA-N 0 0 190.202 1.171 10 0 ADAERN CCn1c(CO)cc2cc(N)ccc21 257952368 573134672 /nfs/dbraw/zinc/13/46/72/573134672.db2.gz HADHGBNMOSTCTA-UHFFFAOYSA-N 0 0 190.246 1.736 10 0 ADAERN CCNc1ccsc1C(=O)OC 141899346 573134678 /nfs/dbraw/zinc/13/46/78/573134678.db2.gz PFTNGQTXHKCFKC-UHFFFAOYSA-N 0 0 185.248 1.967 10 0 ADAERN NC(=O)CCC1CCC1 114866048 573134680 /nfs/dbraw/zinc/13/46/80/573134680.db2.gz FYBHBXGBBHOGAT-UHFFFAOYSA-N 0 0 127.187 1.052 10 0 ADAERN COC1=CC2=NCC(=O)N2C=C1 258536070 573134687 /nfs/dbraw/zinc/13/46/87/573134687.db2.gz NZEBGJJZHHNHEZ-UHFFFAOYSA-N 0 0 164.164 1.049 10 0 ADAERN CCCNC(=O)Nc1cc(C)[nH]n1 82617681 573134823 /nfs/dbraw/zinc/13/48/23/573134823.db2.gz NUWIPDRBMZYAIF-UHFFFAOYSA-N 0 0 182.227 1.250 10 0 ADAERN NC(=O)Nc1c[nH]c(=S)s1 141940669 573134733 /nfs/dbraw/zinc/13/47/33/573134733.db2.gz MUELJYPUJWAIKW-UHFFFAOYSA-N 0 0 175.238 1.296 10 0 ADAERN C[C@@H](O)Cc1cc(O)ccc1F 257952150 573134744 /nfs/dbraw/zinc/13/47/44/573134744.db2.gz FVPSVKFELDNAGA-ZCFIWIBFSA-N 0 0 170.183 1.455 10 0 ADAERN CCOC(=O)N[C@@]12C=C[C@@H](CC1)C2 238283744 573134756 /nfs/dbraw/zinc/13/47/56/573134756.db2.gz FAWPLZFPTAFJAN-WPRPVWTQSA-N 0 0 181.235 1.841 10 0 ADAERN CCC(CC)[C@@H](C)[C@@H](C[NH3+])C(=O)[O-] 143745080 573134758 /nfs/dbraw/zinc/13/47/58/573134758.db2.gz RWNULNICZRKXFY-VXNVDRBHSA-N 0 0 187.283 1.718 10 0 ADAERN CC1(CCNC(=O)[C@H]2CCO2)CC1 308278653 573134784 /nfs/dbraw/zinc/13/47/84/573134784.db2.gz WDBXWKFVLHSDAK-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN CCn1[nH]c(=O)c2ccc(C)cc21 257951868 573134792 /nfs/dbraw/zinc/13/47/92/573134792.db2.gz WIJRMRCRPAXLKM-UHFFFAOYSA-N 0 0 176.219 1.658 10 0 ADAERN CC[C@@H](C)N1CC(C)(C)NC1=O 238284040 573134828 /nfs/dbraw/zinc/13/48/28/573134828.db2.gz XCPROUPHRUPDAT-SSDOTTSWSA-N 0 0 170.256 1.589 10 0 ADAERN Cc1noc([C@H](C)N[C@@H](C)CF)n1 308280277 573134801 /nfs/dbraw/zinc/13/48/01/573134801.db2.gz WTLSPWYDALEBPR-WDSKDSINSA-N 0 0 187.218 1.387 10 0 ADAERN Cc1c(O)ccc(CCCO)c1O 257951780 573134809 /nfs/dbraw/zinc/13/48/09/573134809.db2.gz BBWJGTMODCBXQX-UHFFFAOYSA-N 0 0 182.219 1.331 10 0 ADAERN Cc1cc2c(cc1O)OC[C@H]2[NH3+] 104662162 573135326 /nfs/dbraw/zinc/13/53/26/573135326.db2.gz MLLIMYXLPORQHM-SSDOTTSWSA-N 0 0 165.192 1.093 10 0 ADAERN O=c1ncc2c([nH]1)CCCCCC2 114862402 573135328 /nfs/dbraw/zinc/13/53/28/573135328.db2.gz CHQKRINPCHWXAE-UHFFFAOYSA-N 0 0 178.235 1.429 10 0 ADAERN C[C@@H](Cc1nnc(N)o1)C(C)(C)C 82628123 573135331 /nfs/dbraw/zinc/13/53/31/573135331.db2.gz FWHWFRKXKJBNQE-LURJTMIESA-N 0 0 183.255 1.877 10 0 ADAERN CC[C@H]([NH3+])c1ccncc1N 104660187 573135250 /nfs/dbraw/zinc/13/52/50/573135250.db2.gz VTFYYOFSHPRMPC-ZETCQYMHSA-N 0 0 151.213 1.074 10 0 ADAERN Cc1cc(O)c(C(C)(C)CO)cc1O 257951692 573135262 /nfs/dbraw/zinc/13/52/62/573135262.db2.gz AXDWYKTZDSCUQW-UHFFFAOYSA-N 0 0 196.246 1.676 10 0 ADAERN COc1ccc2c(c1)SC(=O)CN2 259339815 573135263 /nfs/dbraw/zinc/13/52/63/573135263.db2.gz SZXRWNVKHTUHGY-UHFFFAOYSA-N 0 0 195.243 1.739 10 0 ADAERN COc1cc2c(cc1F)[C@@H]([NH3+])CO2 104661053 573135276 /nfs/dbraw/zinc/13/52/76/573135276.db2.gz SHCRTJWZIRYQDU-ZETCQYMHSA-N 0 0 183.182 1.227 10 0 ADAERN OCCCc1ccc2cnoc2c1 257954048 573135317 /nfs/dbraw/zinc/13/53/17/573135317.db2.gz FYPJHODGPXEYNL-UHFFFAOYSA-N 0 0 177.203 1.753 10 0 ADAERN Cc1cc(NC(=O)OC(C)C)n[nH]1 82617678 573135320 /nfs/dbraw/zinc/13/53/20/573135320.db2.gz KPHPSNBRWRXKLK-UHFFFAOYSA-N 0 0 183.211 1.675 10 0 ADAERN C[C@@H](Cc1nc(N)n[nH]1)C(C)(C)C 82628121 573135285 /nfs/dbraw/zinc/13/52/85/573135285.db2.gz TUAVVBYJYMOQIB-LURJTMIESA-N 0 0 182.271 1.612 10 0 ADAERN CC(C)N1CCNc2c(N)cccc21 259339799 573135290 /nfs/dbraw/zinc/13/52/90/573135290.db2.gz SZMNCKBANSOJBB-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN CNc1ccsc1C(=O)OC 141899567 573135324 /nfs/dbraw/zinc/13/53/24/573135324.db2.gz OSKPFMSGZDCERA-UHFFFAOYSA-N 0 0 171.221 1.576 10 0 ADAERN Cn1ccc2cccc(CCON)c21 257951688 573135368 /nfs/dbraw/zinc/13/53/68/573135368.db2.gz AWTNZXGTCWMXDO-UHFFFAOYSA-N 0 0 190.246 1.611 10 0 ADAERN CNc1ncnnc1C(C)(C)C 259340057 573135372 /nfs/dbraw/zinc/13/53/72/573135372.db2.gz VGMVETMSXDPILM-UHFFFAOYSA-N 0 0 166.228 1.211 10 0 ADAERN COC[C@@H]([NH3+])c1ccc(N)cc1C 104659626 573135379 /nfs/dbraw/zinc/13/53/79/573135379.db2.gz CBENMHXERAIHIC-SNVBAGLBSA-N 0 0 180.251 1.223 10 0 ADAERN CC[C@@H]1CC[C@@H](C(C)=O)[C@@H](O)C1 114864535 573135381 /nfs/dbraw/zinc/13/53/81/573135381.db2.gz XKDBGFUNZJWHPX-UTLUCORTSA-N 0 0 170.252 1.763 10 0 ADAERN S=C1N=NCN1Cc1cscn1 82626528 573135397 /nfs/dbraw/zinc/13/53/97/573135397.db2.gz PZIQRMGUWFPXJS-UHFFFAOYSA-N 0 0 198.276 1.072 10 0 ADAERN OCCCN1CCCCCC1=S 141902486 573135411 /nfs/dbraw/zinc/13/54/11/573135411.db2.gz HIKLHYVPKOTTRY-UHFFFAOYSA-N 0 0 187.308 1.572 10 0 ADAERN COC(=O)[C@@H]1Cc2cc(F)ccc2N1 114856945 573135427 /nfs/dbraw/zinc/13/54/27/573135427.db2.gz KPPIYNRNZYCUTR-VIFPVBQESA-N 0 0 195.193 1.335 10 0 ADAERN Nc1cnccc1[C@@H]([NH3+])CC1CC1 104661375 573135446 /nfs/dbraw/zinc/13/54/46/573135446.db2.gz ORUQBZLPIUMNMF-VIFPVBQESA-N 0 0 177.251 1.464 10 0 ADAERN Cn1nc(N)c2c1CCC[C@H]2F 258535818 573135455 /nfs/dbraw/zinc/13/54/55/573135455.db2.gz NVZBTJQKCMLQCT-RXMQYKEDSA-N 0 0 169.203 1.349 10 0 ADAERN CC(C)SCc1c[nH]nc1N 257952233 573135487 /nfs/dbraw/zinc/13/54/87/573135487.db2.gz SHIBJEXVKBYACW-UHFFFAOYSA-N 0 0 171.269 1.634 10 0 ADAERN O=C1[C@@H]2C[C@@H]2CN1C1CCCCC1 257952786 573135510 /nfs/dbraw/zinc/13/55/10/573135510.db2.gz LQDXHDDLMJIILI-PSASIEDQSA-N 0 0 179.263 1.797 10 0 ADAERN CC[C@@](C)(C(C)=O)[NH+]1CCCC1 85748534 573135516 /nfs/dbraw/zinc/13/55/16/573135516.db2.gz QVXIJGHZIBNAFP-JTQLQIEISA-N 0 0 169.268 1.840 10 0 ADAERN OCCCc1ccc2[nH]ccc2c1O 257951750 573135529 /nfs/dbraw/zinc/13/55/29/573135529.db2.gz BAHSPBQWAGGXIH-UHFFFAOYSA-N 0 0 191.230 1.798 10 0 ADAERN CCN1c2cccc(N)c2NC[C@H]1C 259339673 573135543 /nfs/dbraw/zinc/13/55/43/573135543.db2.gz SXCJWWWCCBLYHH-MRVPVSSYSA-N 0 0 191.278 1.909 10 0 ADAERN CCCn1ccnc1C1(O)CCC1 85754330 573135548 /nfs/dbraw/zinc/13/55/48/573135548.db2.gz QXCQVCNWCRZHRK-UHFFFAOYSA-N 0 0 180.251 1.665 10 0 ADAERN C/C(=C\CC[C@H](C)O)CO 215528078 573135338 /nfs/dbraw/zinc/13/53/38/573135338.db2.gz ZGGILHZWXMUILN-IPWDFOCMSA-N 0 0 144.214 1.086 10 0 ADAERN O=C([O-])[C@@H]1CC[N@@H+]2CCCC[C@@H]2C1 141944872 573135572 /nfs/dbraw/zinc/13/55/72/573135572.db2.gz DALMIUUEJAKXQZ-RKDXNWHRSA-N 0 0 183.251 1.336 10 0 ADAERN COC[C@@H]([NH3+])c1cc(C)oc1C 104662646 573135607 /nfs/dbraw/zinc/13/56/07/573135607.db2.gz JMYHJTSOHXGHFD-SECBINFHSA-N 0 0 169.224 1.543 10 0 ADAERN CC[C@H]1C(=O)C[C@H]1OC 238298905 573135609 /nfs/dbraw/zinc/13/56/09/573135609.db2.gz AUQYMTGLGNVSSA-CAHLUQPWSA-N 0 0 128.171 1.000 10 0 ADAERN COC[C@@H]([NH3+])c1cccc(F)c1C 104660267 573135645 /nfs/dbraw/zinc/13/56/45/573135645.db2.gz RYVCVCADPGAYHE-SNVBAGLBSA-N 0 0 183.226 1.780 10 0 ADAERN COC[C@H]([NH3+])c1cccc(O)c1C 104662584 573135658 /nfs/dbraw/zinc/13/56/58/573135658.db2.gz NFNQIDQCVWQIPH-VIFPVBQESA-N 0 0 181.235 1.347 10 0 ADAERN Nc1cccc([C@@H]([NH3+])CC2CC2)n1 104662743 573135671 /nfs/dbraw/zinc/13/56/71/573135671.db2.gz OJKZNABGPISHJF-QMMMGPOBSA-N 0 0 177.251 1.464 10 0 ADAERN Cc1cc2c(c([C@@H](C)CO)c1)OCO2 257951764 573135695 /nfs/dbraw/zinc/13/56/95/573135695.db2.gz BBBWQZTVHUBLKL-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN Cc1n[nH]c2cccc(CCCO)c12 257951693 573135717 /nfs/dbraw/zinc/13/57/17/573135717.db2.gz AXFQXSCQNPIJEO-UHFFFAOYSA-N 0 0 190.246 1.796 10 0 ADAERN CC[C@H]1C(=O)Nc2c(O)ccc(O)c21 238284562 573135728 /nfs/dbraw/zinc/13/57/28/573135728.db2.gz MVNCTSUAQBYBJB-RXMQYKEDSA-N 0 0 193.202 1.544 10 0 ADAERN CCCn1ncnc1CC1(O)CCC1 85754290 573135732 /nfs/dbraw/zinc/13/57/32/573135732.db2.gz ZPCVCAXZIPVYMF-UHFFFAOYSA-N 0 0 195.266 1.146 10 0 ADAERN CC[C@@H](O)c1cc(OC)c(C)c(=O)o1 238283708 573135750 /nfs/dbraw/zinc/13/57/50/573135750.db2.gz ALYPHTKMWLQJKL-SSDOTTSWSA-N 0 0 198.218 1.400 10 0 ADAERN CCc1ncc(CO)c(C(C)(C)C)n1 238283917 573135754 /nfs/dbraw/zinc/13/57/54/573135754.db2.gz UUXFRZKHXPFSOX-UHFFFAOYSA-N 0 0 194.278 1.829 10 0 ADAERN CCOC(=O)[C@@]1(C)CC(C)(C)CCN1 257952117 573135756 /nfs/dbraw/zinc/13/57/56/573135756.db2.gz FUAHZZFSTUQJIJ-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN CC(C)Oc1ccc(CNO)cc1 131995915 573135757 /nfs/dbraw/zinc/13/57/57/573135757.db2.gz OEYOVIOYMXAELV-UHFFFAOYSA-N 0 0 181.235 1.953 10 0 ADAERN CC(C)C(=O)C(C)(C)N1CCOCC1 85741759 573135775 /nfs/dbraw/zinc/13/57/75/573135775.db2.gz BNRPUCMYOAHHDH-UHFFFAOYSA-N 0 0 199.294 1.322 10 0 ADAERN Nc1ccc(N2CCCC2)c(F)c1N 114885245 573135794 /nfs/dbraw/zinc/13/57/94/573135794.db2.gz CBNQALAMSIISHK-UHFFFAOYSA-N 0 0 195.241 1.590 10 0 ADAERN CC(C)CC(=O)N[C@H]1C[C@H]1C1CC1 308278011 573135804 /nfs/dbraw/zinc/13/58/04/573135804.db2.gz VXBFAGNEFJWINN-UWVGGRQHSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1coc(N(C)C[C@@H](C)CO)n1 308278578 573135813 /nfs/dbraw/zinc/13/58/13/573135813.db2.gz WBKNKXFWTNARLH-SSDOTTSWSA-N 0 0 184.239 1.048 10 0 ADAERN Nc1cc(-c2cc(O)ccc2F)on1 257951726 573135815 /nfs/dbraw/zinc/13/58/15/573135815.db2.gz AYXIZWXDNGUUSD-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN CC[C@](C)(C(C)=O)[NH+](C)C 85743223 573135835 /nfs/dbraw/zinc/13/58/35/573135835.db2.gz YRYMVQZLCDQVFK-MRVPVSSYSA-N 0 0 143.230 1.306 10 0 ADAERN C[C@@H]([NH3+])c1nc(F)c(F)cc1F 104661575 573135852 /nfs/dbraw/zinc/13/58/52/573135852.db2.gz BMQJZQGZRMRYIW-GSVOUGTGSA-N 0 0 176.141 1.519 10 0 ADAERN CCc1ccc(N(C)C)c(CNO)c1 259336838 573135856 /nfs/dbraw/zinc/13/58/56/573135856.db2.gz FMQGYMOKULMGMV-UHFFFAOYSA-N 0 0 194.278 1.794 10 0 ADAERN CCOc1cccc(C=O)c1N 238299025 573135857 /nfs/dbraw/zinc/13/58/57/573135857.db2.gz TUDXRRHCQBVRMP-UHFFFAOYSA-N 0 0 165.192 1.480 10 0 ADAERN NOCc1cccc(C2(CO)CC2)c1 259339954 573135918 /nfs/dbraw/zinc/13/59/18/573135918.db2.gz FSALJRMIQVBZAC-UHFFFAOYSA-N 0 0 193.246 1.101 10 0 ADAERN OCC(F)(F)C[C@H]1CCCO1 258537506 573135927 /nfs/dbraw/zinc/13/59/27/573135927.db2.gz OCDOTCQWQSJUAS-ZCFIWIBFSA-N 0 0 166.167 1.183 10 0 ADAERN COc1cc2c(cc1F)OC[C@@H]2[NH3+] 104659774 573135956 /nfs/dbraw/zinc/13/59/56/573135956.db2.gz CGMBEBPPMRWQTO-ZETCQYMHSA-N 0 0 183.182 1.227 10 0 ADAERN CC[C@H]1C(=O)NC(=S)C1(C)C 238284393 573135968 /nfs/dbraw/zinc/13/59/68/573135968.db2.gz YWMUACWXTSQPAI-YFKPBYRVSA-N 0 0 171.265 1.496 10 0 ADAERN O=C1OC[C@H]2CC(F)(F)C[C@@H]12 258537529 573135970 /nfs/dbraw/zinc/13/59/70/573135970.db2.gz OCJPTYNNPTVHIA-RFZPGFLSSA-N 0 0 162.135 1.205 10 0 ADAERN CCc1ncc(N)cc1C=O 238284453 573135984 /nfs/dbraw/zinc/13/59/84/573135984.db2.gz FHQHLQJENYGKTG-UHFFFAOYSA-N 0 0 150.181 1.039 10 0 ADAERN Cc1noc([C@@H](C)N[C@H](C)CF)n1 308280275 573135985 /nfs/dbraw/zinc/13/59/85/573135985.db2.gz WTLSPWYDALEBPR-PHDIDXHHSA-N 0 0 187.218 1.387 10 0 ADAERN Cc1ccnc(-c2ncc(C=O)cn2)c1 82643893 573136289 /nfs/dbraw/zinc/13/62/89/573136289.db2.gz UBBIQVVYTLDRRT-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN CC[C@@H]1C(=O)Nc2c(O)ccc(O)c21 238299022 573136018 /nfs/dbraw/zinc/13/60/18/573136018.db2.gz MVNCTSUAQBYBJB-YFKPBYRVSA-N 0 0 193.202 1.544 10 0 ADAERN C[C@@H](O)CCC(=O)OCC1CCC1 308278582 573136033 /nfs/dbraw/zinc/13/60/33/573136033.db2.gz WBPGFKCAWJJIPI-MRVPVSSYSA-N 0 0 186.251 1.491 10 0 ADAERN [NH3+][C@H](c1ncccc1O)C1CC1 104659970 573136054 /nfs/dbraw/zinc/13/60/54/573136054.db2.gz JQAOUASWBLXWKQ-QMMMGPOBSA-N 0 0 164.208 1.197 10 0 ADAERN CC[C@@]12OC[C@@H](O1)C(=O)C[C@@H]2C 238284349 573136087 /nfs/dbraw/zinc/13/60/87/573136087.db2.gz OEJRJDKXFIXGSD-NBEYISGCSA-N 0 0 170.208 1.117 10 0 ADAERN CC(C)CCOCC(=O)OC1CC1 308278670 573136109 /nfs/dbraw/zinc/13/61/09/573136109.db2.gz WDVHHUPNJVDBCE-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN OC1(c2ccoc2)CCC1 85754265 573136123 /nfs/dbraw/zinc/13/61/23/573136123.db2.gz XOFQBKSVGWVTNZ-UHFFFAOYSA-N 0 0 138.166 1.651 10 0 ADAERN CC[C@@H](C)Nc1nnns1 238299042 573136125 /nfs/dbraw/zinc/13/61/25/573136125.db2.gz LOBDOQDLXLPDRN-SCSAIBSYSA-N 0 0 158.230 1.144 10 0 ADAERN CCOc1cc(CNO)ccc1OC 131986111 573136128 /nfs/dbraw/zinc/13/61/28/573136128.db2.gz LCWMHXFQWSPASV-UHFFFAOYSA-N 0 0 197.234 1.573 10 0 ADAERN CC(C)(C(=O)C1CC1)N1CCOCC1 85741740 573136157 /nfs/dbraw/zinc/13/61/57/573136157.db2.gz PRYVVNHHMXQIKY-UHFFFAOYSA-N 0 0 197.278 1.076 10 0 ADAERN C[C@@H](F)CCOC(=O)C1CC(=O)C1 308278996 573136164 /nfs/dbraw/zinc/13/61/64/573136164.db2.gz WFAXFAGBUYIGJY-ZCFIWIBFSA-N 0 0 188.198 1.257 10 0 ADAERN c1nocc1OC1CCCC1 258536086 573136221 /nfs/dbraw/zinc/13/62/21/573136221.db2.gz NWKZPIVDYLOQBJ-UHFFFAOYSA-N 0 0 153.181 1.996 10 0 ADAERN COc1c(F)ccc2c1OC[C@H]2[NH3+] 104659787 573136226 /nfs/dbraw/zinc/13/62/26/573136226.db2.gz CGZJGDPVXQXJRW-SSDOTTSWSA-N 0 0 183.182 1.227 10 0 ADAERN Cn1nc(C=O)c2c1CC[C@H]2F 258535984 573136236 /nfs/dbraw/zinc/13/62/36/573136236.db2.gz NYLJVHWCQUKTMC-RXMQYKEDSA-N 0 0 168.171 1.189 10 0 ADAERN CC[C@H](C)Nc1nncn1C 238284678 573136243 /nfs/dbraw/zinc/13/62/43/573136243.db2.gz CDUCFNWEPOKLMG-LURJTMIESA-N 0 0 154.217 1.026 10 0 ADAERN C[C@H](c1ccoc1)[C@H]1CC(=O)NC1=O 123702300 573136253 /nfs/dbraw/zinc/13/62/53/573136253.db2.gz BXUZHTDABSXVET-HTRCEHHLSA-N 0 0 193.202 1.046 10 0 ADAERN Cc1ccnc(-c2nccc(C=O)n2)c1 82643891 573136925 /nfs/dbraw/zinc/13/69/25/573136925.db2.gz FDKHNVYENPESTG-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN CC[C@@H]1C[C@@H]2C(=O)CCC(=O)[C@H]21 238283843 573136271 /nfs/dbraw/zinc/13/62/71/573136271.db2.gz LULBQTULRNXZMO-XSSZXYGBSA-N 0 0 166.220 1.581 10 0 ADAERN Nc1cccc([C@H]([NH3+])CC2CC2)n1 104662740 573136279 /nfs/dbraw/zinc/13/62/79/573136279.db2.gz OJKZNABGPISHJF-MRVPVSSYSA-N 0 0 177.251 1.464 10 0 ADAERN COC[C@@H]([NH3+])c1cccc(O)c1C 104662582 573136323 /nfs/dbraw/zinc/13/63/23/573136323.db2.gz NFNQIDQCVWQIPH-SECBINFHSA-N 0 0 181.235 1.347 10 0 ADAERN CCc1ccc(O)cc1OC(C)=O 238284528 573136968 /nfs/dbraw/zinc/13/69/68/573136968.db2.gz KNEPDPMKWAMVLP-UHFFFAOYSA-N 0 0 180.203 1.880 10 0 ADAERN CO[C@H](C)CC(=O)N1[C@@H](C)C[C@H]1C 308279356 573136354 /nfs/dbraw/zinc/13/63/54/573136354.db2.gz XCUSTXMFBKPZNH-HRDYMLBCSA-N 0 0 185.267 1.421 10 0 ADAERN CC(C)[C@H](CO)C1(C(C)C)COC1 258535614 573136378 /nfs/dbraw/zinc/13/63/78/573136378.db2.gz IUHVDOBNMKLCPP-JTQLQIEISA-N 0 0 186.295 1.924 10 0 ADAERN CC(C)(O)C[C@H]1CCCCO1 258535922 573136409 /nfs/dbraw/zinc/13/64/09/573136409.db2.gz NXJPIBPKPVPZAJ-MRVPVSSYSA-N 0 0 158.241 1.717 10 0 ADAERN O=c1ccc([C@@H]2CC[NH2+]2)c(Cl)[nH]1 104661393 573136427 /nfs/dbraw/zinc/13/64/27/573136427.db2.gz VZKHTNGATUJLRI-LURJTMIESA-N 0 0 184.626 1.475 10 0 ADAERN Cc1ccnc([C@@H](O)[C@H]2CCOC2)c1 82643609 573136932 /nfs/dbraw/zinc/13/69/32/573136932.db2.gz ISINLPFNRIPUJE-ONGXEEELSA-N 0 0 193.246 1.460 10 0 ADAERN Oc1cncc([C@H]2CCCC[NH2+]2)c1 104659862 573136479 /nfs/dbraw/zinc/13/64/79/573136479.db2.gz FUNKRKNEQCYHNF-SNVBAGLBSA-N 0 0 178.235 1.602 10 0 ADAERN O=C1OC[C@@H]2CC(F)(F)C[C@@H]12 258537524 573136485 /nfs/dbraw/zinc/13/64/85/573136485.db2.gz OCJPTYNNPTVHIA-CRCLSJGQSA-N 0 0 162.135 1.205 10 0 ADAERN Cc1ccc2c(c1O)OCC[C@@H]2[NH3+] 104662140 573136494 /nfs/dbraw/zinc/13/64/94/573136494.db2.gz RGZKZOYMIVZVDZ-QMMMGPOBSA-N 0 0 179.219 1.483 10 0 ADAERN CC[C@@]1(C(F)(F)F)CC[C@@H](CO)O1 642850355 573136506 /nfs/dbraw/zinc/13/65/06/573136506.db2.gz QOZKCTSKALHQBW-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN CCC(CC)[C@@H](C)NC(C)=O 82644285 573136521 /nfs/dbraw/zinc/13/65/21/573136521.db2.gz DSKKHRNOWLWACQ-SSDOTTSWSA-N 0 0 157.257 1.947 10 0 ADAERN CC[C@@]1(O)CCCC[C@H]1OC 114915689 573136526 /nfs/dbraw/zinc/13/65/26/573136526.db2.gz KNFJOMADFYDXJV-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CO[C@H](C)CC(=O)N1[C@H](C)C[C@H]1C 308279357 573136542 /nfs/dbraw/zinc/13/65/42/573136542.db2.gz XCUSTXMFBKPZNH-IWSPIJDZSA-N 0 0 185.267 1.421 10 0 ADAERN CN1CCCC[C@H]1C(F)(F)CO 141960616 573136597 /nfs/dbraw/zinc/13/65/97/573136597.db2.gz JQAHAJQDDKARAA-ZETCQYMHSA-N 0 0 179.210 1.098 10 0 ADAERN CN1C(=O)c2c(Cl)cccc2[C@@H]1O 238299119 573136600 /nfs/dbraw/zinc/13/66/00/573136600.db2.gz DSNVLARXTICNHP-QMMMGPOBSA-N 0 0 197.621 1.417 10 0 ADAERN Cc1ccnc([C@@H](O)[C@@H]2CCOC2)c1 82643607 573136603 /nfs/dbraw/zinc/13/66/03/573136603.db2.gz ISINLPFNRIPUJE-KOLCDFICSA-N 0 0 193.246 1.460 10 0 ADAERN Cc1cc(CCO)sn1 642850263 573136606 /nfs/dbraw/zinc/13/66/06/573136606.db2.gz VILWEECUGPPASF-UHFFFAOYSA-N 0 0 143.211 1.007 10 0 ADAERN CC1(C2CCC2)CNC(=O)NC1 258535901 573136614 /nfs/dbraw/zinc/13/66/14/573136614.db2.gz NWYOGBUOQUMNQB-UHFFFAOYSA-N 0 0 168.240 1.106 10 0 ADAERN Cn1ccc2ccc(CON)cc21 257955851 573136642 /nfs/dbraw/zinc/13/66/42/573136642.db2.gz GESRONCSLXOPCR-UHFFFAOYSA-N 0 0 176.219 1.569 10 0 ADAERN C=C/C=C(/CO)OCC 218848305 573136661 /nfs/dbraw/zinc/13/66/61/573136661.db2.gz IOTIRSPUZHJKSO-ALCCZGGFSA-N 0 0 128.171 1.085 10 0 ADAERN CN(CC1CC1)C(=O)OCC1CC1 308278279 573136971 /nfs/dbraw/zinc/13/69/71/573136971.db2.gz WRLDXPFFNHPKDA-UHFFFAOYSA-N 0 0 183.251 1.875 10 0 ADAERN CC[C@H](C)C[C@H]1OCC[C@H]1CO 394426841 573136695 /nfs/dbraw/zinc/13/66/95/573136695.db2.gz RSBCAPWDTHBGSM-LPEHRKFASA-N 0 0 172.268 1.820 10 0 ADAERN C/C=C/[C@H](O)[C@@H](C)OCC 238284098 573136717 /nfs/dbraw/zinc/13/67/17/573136717.db2.gz JDYQMYMHTKCFRM-SLQBNDFVSA-N 0 0 144.214 1.348 10 0 ADAERN CC1(CCNC(=O)[C@@H]2CCO2)CC1 308278654 573136735 /nfs/dbraw/zinc/13/67/35/573136735.db2.gz WDBXWKFVLHSDAK-QMMMGPOBSA-N 0 0 183.251 1.082 10 0 ADAERN CCONC(=S)NC(C)(C)C 238299077 573136741 /nfs/dbraw/zinc/13/67/41/573136741.db2.gz OGWXUYQJEMKMBI-UHFFFAOYSA-N 0 0 176.285 1.201 10 0 ADAERN Cc1cc2c(c([C@@H](C)O)c1O)CCO2 257955904 573136753 /nfs/dbraw/zinc/13/67/53/573136753.db2.gz BIPIUTDMAZXIFQ-SSDOTTSWSA-N 0 0 194.230 1.689 10 0 ADAERN CCc1ccc(O)c2c1OC(=O)CC2 238283740 573136771 /nfs/dbraw/zinc/13/67/71/573136771.db2.gz UIMZOUWHTCGTCD-UHFFFAOYSA-N 0 0 192.214 1.806 10 0 ADAERN COC(=O)/C=C\c1ccsc1C=O 218764555 573136772 /nfs/dbraw/zinc/13/67/72/573136772.db2.gz JYYPTTWICHQSCF-IHWYPQMZSA-N 0 0 196.227 1.747 10 0 ADAERN Nc1cnccc1[C@@H]([NH3+])C1CC1 104661355 573136785 /nfs/dbraw/zinc/13/67/85/573136785.db2.gz KRUZYCIFLNUBHR-VIFPVBQESA-N 0 0 163.224 1.074 10 0 ADAERN CCc1cn2c(=O)cc(Cl)nc2[nH]1 238299032 573136790 /nfs/dbraw/zinc/13/67/90/573136790.db2.gz AWWLBKUKVILTOQ-UHFFFAOYSA-N 0 0 197.625 1.238 10 0 ADAERN Nc1cnccc1[C@@H]1CCCC[NH2+]1 104662504 573136921 /nfs/dbraw/zinc/13/69/21/573136921.db2.gz CNZWWYDKCICFPS-JTQLQIEISA-N 0 0 177.251 1.478 10 0 ADAERN [NH3+][C@H](CC1CC1)c1ncccc1O 104659977 573136816 /nfs/dbraw/zinc/13/68/16/573136816.db2.gz JELPQPMINFAVJI-MRVPVSSYSA-N 0 0 178.235 1.587 10 0 ADAERN O=Cc1ccc([O-])cc1[C@@H]1CC[NH2+]C1 257955995 573136937 /nfs/dbraw/zinc/13/69/37/573136937.db2.gz BKJCDOSCHXAKGZ-MRVPVSSYSA-N 0 0 191.230 1.282 10 0 ADAERN CC(C)(C)C1(O)CCC1 85754255 573136859 /nfs/dbraw/zinc/13/68/59/573136859.db2.gz XSWGKGQTOYZVRZ-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN NC(=S)c1ccnc2[nH]ccc12 114909820 573136860 /nfs/dbraw/zinc/13/68/60/573136860.db2.gz QJWOVQKCPSDXBI-UHFFFAOYSA-N 0 0 177.232 1.197 10 0 ADAERN CCc1occc1[C@H](C)[NH3+] 104660606 573136876 /nfs/dbraw/zinc/13/68/76/573136876.db2.gz JYIKSPJOPUTRDK-LURJTMIESA-N 0 0 139.198 1.862 10 0 ADAERN Cc1ccnc(C(=O)[C@H]2CCOC2)c1 82643500 573136902 /nfs/dbraw/zinc/13/69/02/573136902.db2.gz GAPHWWNKGJIAAH-VIFPVBQESA-N 0 0 191.230 1.609 10 0 ADAERN [NH3+][C@H](c1ccsc1CO)C1CC1 104661830 573136906 /nfs/dbraw/zinc/13/69/06/573136906.db2.gz JZRCMGSYFPIKNB-VIFPVBQESA-N 0 0 183.276 1.650 10 0 ADAERN O=Cc1cc2ccccc2[n+]([O-])c1 218725375 573136949 /nfs/dbraw/zinc/13/69/49/573136949.db2.gz NZMFYAFYYPDITB-UHFFFAOYSA-N 0 0 173.171 1.286 10 0 ADAERN CCc1nc(C)c(C(=O)CN)s1 257956490 573136956 /nfs/dbraw/zinc/13/69/56/573136956.db2.gz WXIVAFUFGZZMJL-UHFFFAOYSA-N 0 0 184.264 1.155 10 0 ADAERN CCC(CC)[C@@H](C)NC#N 82632654 573136960 /nfs/dbraw/zinc/13/69/60/573136960.db2.gz CZFUAVOPDGLGMN-SSDOTTSWSA-N 0 0 140.230 1.882 10 0 ADAERN CN1[C@@H](O)C[C@@H](c2ccccc2)N1C 238298940 573136975 /nfs/dbraw/zinc/13/69/75/573136975.db2.gz ALFAEPQJOKENCU-QWRGUYRKSA-N 0 0 192.262 1.228 10 0 ADAERN [NH3+][C@@H]1CCc2c(O)cc(F)cc2C1 104659697 573136976 /nfs/dbraw/zinc/13/69/76/573136976.db2.gz FLXMTEJFVMEWPR-MRVPVSSYSA-N 0 0 181.210 1.347 10 0 ADAERN CC[N-]C(=S)S[NH2+]CC 238284281 573137014 /nfs/dbraw/zinc/13/70/14/573137014.db2.gz FEJXUSFTRNXWHZ-UHFFFAOYSA-N 0 0 164.299 1.139 10 0 ADAERN N#CNCC1CC=CC1 642852169 573137051 /nfs/dbraw/zinc/13/70/51/573137051.db2.gz WJAAEUKMFGVJJW-UHFFFAOYSA-N 0 0 122.171 1.023 10 0 ADAERN Nc1ncsc1C(=O)NC1CCC1 257956235 573137052 /nfs/dbraw/zinc/13/70/52/573137052.db2.gz SVGGZUHFVDVWFK-UHFFFAOYSA-N 0 0 197.263 1.008 10 0 ADAERN [NH3+][C@@H](CC1CC1)c1ncccc1O 104659981 573137058 /nfs/dbraw/zinc/13/70/58/573137058.db2.gz JELPQPMINFAVJI-QMMMGPOBSA-N 0 0 178.235 1.587 10 0 ADAERN C[C@@H](O)c1cccc2oc(=O)[nH]c12 257956664 573137070 /nfs/dbraw/zinc/13/70/70/573137070.db2.gz GIRFWKXRAHWCGU-RXMQYKEDSA-N 0 0 179.175 1.587 10 0 ADAERN CCC(CC)[C@@H](C)N[C@H]1CCOC1=O 308507546 573137075 /nfs/dbraw/zinc/13/70/75/573137075.db2.gz JKYTZMZEWUCOTQ-SCZZXKLOSA-N 0 0 199.294 1.716 10 0 ADAERN COc1ccc2c(c1F)OC[C@@H]2[NH3+] 104661042 573137083 /nfs/dbraw/zinc/13/70/83/573137083.db2.gz UIJRXKUNOKDZBC-LURJTMIESA-N 0 0 183.182 1.227 10 0 ADAERN CCc1cc(O)cc(CCCO)c1 257956597 573137087 /nfs/dbraw/zinc/13/70/87/573137087.db2.gz GIIKLTZFULWVML-UHFFFAOYSA-N 0 0 180.247 1.880 10 0 ADAERN Oc1cc2c(cc1C1(O)CC1)OCO2 257955936 573137090 /nfs/dbraw/zinc/13/70/90/573137090.db2.gz BJFXPLOGQSZGQC-UHFFFAOYSA-N 0 0 194.186 1.102 10 0 ADAERN O=Cc1c(C2CC2)nnn1C1CC1 257956450 573137097 /nfs/dbraw/zinc/13/70/97/573137097.db2.gz WWMGXHVTHUCQQE-UHFFFAOYSA-N 0 0 177.207 1.303 10 0 ADAERN O=C1OC[C@H]2CC(F)(F)C[C@H]12 258537533 573137133 /nfs/dbraw/zinc/13/71/33/573137133.db2.gz OCJPTYNNPTVHIA-UHNVWZDZSA-N 0 0 162.135 1.205 10 0 ADAERN CC(=O)c1noc2c1C(F)(F)CC2 257956549 573137143 /nfs/dbraw/zinc/13/71/43/573137143.db2.gz WZEBUKJZTZZABK-UHFFFAOYSA-N 0 0 187.145 1.915 10 0 ADAERN C[C@@H](c1ccoc1)[C@H]1CC(=O)NC1=O 123702116 573137149 /nfs/dbraw/zinc/13/71/49/573137149.db2.gz BXUZHTDABSXVET-POYBYMJQSA-N 0 0 193.202 1.046 10 0 ADAERN CCC[C@H]([NH3+])c1ccncc1N 104661328 573137159 /nfs/dbraw/zinc/13/71/59/573137159.db2.gz KGSLSIBOGMNHAW-QMMMGPOBSA-N 0 0 165.240 1.464 10 0 ADAERN COc1ccc2c(c1F)OC[C@H]2[NH3+] 104661048 573137199 /nfs/dbraw/zinc/13/71/99/573137199.db2.gz UIJRXKUNOKDZBC-ZCFIWIBFSA-N 0 0 183.182 1.227 10 0 ADAERN [NH3+][C@@H]1COc2cc3[nH]ccc3cc21 104660995 573137211 /nfs/dbraw/zinc/13/72/11/573137211.db2.gz CEJPTHLDUDFWQA-MRVPVSSYSA-N 0 0 174.203 1.560 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)c1cccnc1 689923575 573137260 /nfs/dbraw/zinc/13/72/60/573137260.db2.gz SEDJWQMLGDWCAB-VHSXEESVSA-N 0 0 191.230 1.689 10 0 ADAERN O=Cc1ccc([O-])cc1[C@H]1CC[NH2+]C1 257955998 573137261 /nfs/dbraw/zinc/13/72/61/573137261.db2.gz BKJCDOSCHXAKGZ-QMMMGPOBSA-N 0 0 191.230 1.282 10 0 ADAERN CCc1ccc(O)cc1NC(C)=O 238284506 573137268 /nfs/dbraw/zinc/13/72/68/573137268.db2.gz MIZQDZRBWCWNIQ-UHFFFAOYSA-N 0 0 179.219 1.913 10 0 ADAERN C[N@@H+]1CC[C@@H](C(C)(C)CC(=O)[O-])C1 259337960 573137290 /nfs/dbraw/zinc/13/72/90/573137290.db2.gz SJGGXFUXDKGTCO-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN CCO[C@H]1C[C@@H]1C(=O)c1cccnc1 689923569 573137298 /nfs/dbraw/zinc/13/72/98/573137298.db2.gz SEDJWQMLGDWCAB-UWVGGRQHSA-N 0 0 191.230 1.689 10 0 ADAERN CC(C)(O)C[C@@H]1CCCCO1 258535926 573137306 /nfs/dbraw/zinc/13/73/06/573137306.db2.gz NXJPIBPKPVPZAJ-QMMMGPOBSA-N 0 0 158.241 1.717 10 0 ADAERN Fc1ncccc1CNCC1(F)CC1 308507562 573137519 /nfs/dbraw/zinc/13/75/19/573137519.db2.gz GMXWMCVDKSOYOR-UHFFFAOYSA-N 0 0 198.216 1.812 10 0 ADAERN CC[C@H](C)C[C@@H]1OCC[C@@H]1CO 394426835 573137346 /nfs/dbraw/zinc/13/73/46/573137346.db2.gz RSBCAPWDTHBGSM-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@@](C)(O)[C@H]1OC1(C)C 238299154 573137354 /nfs/dbraw/zinc/13/73/54/573137354.db2.gz GHIAVXTZHBLTBS-POYBYMJQSA-N 0 0 144.214 1.325 10 0 ADAERN COC(=O)CCC1=CC=CC1 114935194 573137361 /nfs/dbraw/zinc/13/73/61/573137361.db2.gz TXPQBGKOAOVPCX-UHFFFAOYSA-N 0 0 152.193 1.826 10 0 ADAERN CCc1ncc(CO)c(C)c1O 238283961 573137363 /nfs/dbraw/zinc/13/73/63/573137363.db2.gz DZGHKBVNNBTEKO-UHFFFAOYSA-N 0 0 167.208 1.150 10 0 ADAERN CNc1nc(-c2cc(C)ccn2)no1 82643884 573137368 /nfs/dbraw/zinc/13/73/68/573137368.db2.gz SJNMEGKMCVDIIG-UHFFFAOYSA-N 0 0 190.206 1.482 10 0 ADAERN CC[C@H]1C(=O)NC(=O)[C@@]1(C)CC 238284344 573137374 /nfs/dbraw/zinc/13/73/74/573137374.db2.gz RWFLNMZIMJJXCL-RCOVLWMOSA-N 0 0 169.224 1.085 10 0 ADAERN CC[C@@H]([NH3+])c1ccncc1N 104660189 573137377 /nfs/dbraw/zinc/13/73/77/573137377.db2.gz VTFYYOFSHPRMPC-SSDOTTSWSA-N 0 0 151.213 1.074 10 0 ADAERN CC[C@@](C)(O)[C@@H]1OC1(C)C 238298903 573137381 /nfs/dbraw/zinc/13/73/81/573137381.db2.gz GHIAVXTZHBLTBS-HTRCEHHLSA-N 0 0 144.214 1.325 10 0 ADAERN CC[C@@H]1C[C@](C)([C@@H](C)O)OC1=O 238283972 573137391 /nfs/dbraw/zinc/13/73/91/573137391.db2.gz LSMQVDOUCAXWGB-ZXFLCMHBSA-N 0 0 172.224 1.099 10 0 ADAERN CC1=S=CC([C@@](C)(O)C(C)C)=N1 642852358 573137404 /nfs/dbraw/zinc/13/74/04/573137404.db2.gz OXMZCJWEBGPUHO-VIFPVBQESA-N 0 0 185.292 1.165 10 0 ADAERN CC[C@@]1(O)CCCC[C@@H]1OC 114915684 573137421 /nfs/dbraw/zinc/13/74/21/573137421.db2.gz KNFJOMADFYDXJV-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN Cc1ccn(Cc2n[nH]cc2C)n1 715489515 573137514 /nfs/dbraw/zinc/13/75/14/573137514.db2.gz VVRNQDLRPCHVTG-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN C[C@H]1c2ccc(O)cc2CC[C@H]1O 259337756 573137485 /nfs/dbraw/zinc/13/74/85/573137485.db2.gz OXOIHFJICIFWJY-WRWORJQWSA-N 0 0 178.231 1.803 10 0 ADAERN COC[C@H]([NH3+])c1cc(C)c(C)o1 104661488 573137487 /nfs/dbraw/zinc/13/74/87/573137487.db2.gz SIXKFPRGKXBRSM-QMMMGPOBSA-N 0 0 169.224 1.543 10 0 ADAERN C[C@@H]([NH3+])c1cscc1C(=O)[O-] 104662008 573137495 /nfs/dbraw/zinc/13/74/95/573137495.db2.gz VHVNUTPCGWJZSO-SCSAIBSYSA-N 0 0 171.221 1.466 10 0 ADAERN Nc1ncccc1CC1(O)CCC1 85754284 573137511 /nfs/dbraw/zinc/13/75/11/573137511.db2.gz WQQBUEFKABWRQU-UHFFFAOYSA-N 0 0 178.235 1.121 10 0 ADAERN CCN(C(=O)NC)c1ccccc1 114936138 573138586 /nfs/dbraw/zinc/13/85/86/573138586.db2.gz QCDNQZHDKPDFRA-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN O[C@H]1CCCC[C@H]1c1ncc[nH]1 141960534 573137957 /nfs/dbraw/zinc/13/79/57/573137957.db2.gz CUQMEFPOLZFWDR-SFYZADRCSA-N 0 0 166.224 1.428 10 0 ADAERN COC[C@H]([NH3+])c1ccnc(C)c1 104660288 573138527 /nfs/dbraw/zinc/13/85/27/573138527.db2.gz VDWLXXGTIMQRTF-VIFPVBQESA-N 0 0 166.224 1.036 10 0 ADAERN C[C@@H](O)C(C)(C)F 142098373 573137998 /nfs/dbraw/zinc/13/79/98/573137998.db2.gz ZLKPVVZVRZPBQM-SCSAIBSYSA-N 0 0 106.140 1.115 10 0 ADAERN CCc1c2c(O)cccc2nn1C 257956467 573138046 /nfs/dbraw/zinc/13/80/46/573138046.db2.gz WWWSTVDVKUXQAE-UHFFFAOYSA-N 0 0 176.219 1.841 10 0 ADAERN Cc1noc(-c2ncccc2O)n1 82644380 573138062 /nfs/dbraw/zinc/13/80/62/573138062.db2.gz WRDHBXLNQNZBRO-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN CNc1nc(-c2cccnc2)co1 258480391 573138064 /nfs/dbraw/zinc/13/80/64/573138064.db2.gz BLGWJRGAEVFHMR-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN O=c1[nH]ccc2c(F)c(F)ccc12 123713349 573138068 /nfs/dbraw/zinc/13/80/68/573138068.db2.gz UMZSARFWACLVAC-UHFFFAOYSA-N 0 0 181.141 1.806 10 0 ADAERN O[C@@H]1CCCC[C@@H]1c1ncc[nH]1 141961103 573138074 /nfs/dbraw/zinc/13/80/74/573138074.db2.gz CUQMEFPOLZFWDR-JGVFFNPUSA-N 0 0 166.224 1.428 10 0 ADAERN CCc1c(N)ccc(C(=O)OC)c1C 238289134 573138099 /nfs/dbraw/zinc/13/80/99/573138099.db2.gz YEXJBCPQQRLFQC-UHFFFAOYSA-N 0 0 193.246 1.926 10 0 ADAERN CCc1nc(OC)c(N)cc1Cl 257956510 573138108 /nfs/dbraw/zinc/13/81/08/573138108.db2.gz WYAVRARFRYTEGA-UHFFFAOYSA-N 0 0 186.642 1.888 10 0 ADAERN CCc1nn(C)c2ncnc(Cl)c12 238289141 573138109 /nfs/dbraw/zinc/13/81/09/573138109.db2.gz OPKXOBXSXMUFTA-UHFFFAOYSA-N 0 0 196.641 1.579 10 0 ADAERN O=C1CCC(C2N=NC(=S)O2)CC1 259345216 573138119 /nfs/dbraw/zinc/13/81/19/573138119.db2.gz YHGRZBSGADVFMM-UHFFFAOYSA-N 0 0 198.247 1.585 10 0 ADAERN CCC[C@H]([NH3+])c1ncccc1O 104659961 573138124 /nfs/dbraw/zinc/13/81/24/573138124.db2.gz NCAVDBRGNFBZFW-ZETCQYMHSA-N 0 0 166.224 1.587 10 0 ADAERN CO[C@](C)(CO)C1CCC1 258535858 573138144 /nfs/dbraw/zinc/13/81/44/573138144.db2.gz NWJIFWOGPHYUSB-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN CC[C@]1(O)CCCC[C@H]1OC 114915690 573138149 /nfs/dbraw/zinc/13/81/49/573138149.db2.gz KNFJOMADFYDXJV-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN COC[C@H]([NH3+])c1cccc(O)c1 104661428 573138152 /nfs/dbraw/zinc/13/81/52/573138152.db2.gz XCAQMLGHOCFMPA-VIFPVBQESA-N 0 0 167.208 1.038 10 0 ADAERN Cc1noc(N)c1[C@H]1CCCO1 258535934 573138156 /nfs/dbraw/zinc/13/81/56/573138156.db2.gz NXLZLZLSKCDMPQ-ZCFIWIBFSA-N 0 0 168.196 1.417 10 0 ADAERN CC(C)(C)C(=O)[C@H](O)C1CCC1 259344502 573138190 /nfs/dbraw/zinc/13/81/90/573138190.db2.gz ZFZNBPCBPVDEAH-MRVPVSSYSA-N 0 0 170.252 1.763 10 0 ADAERN CCc1ccc2c(c1O)C(=O)CCO2 238289711 573138204 /nfs/dbraw/zinc/13/82/04/573138204.db2.gz PPPXVHMSZJRUJM-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN CC[C@H]1[N-]C(=S)S[C@@H](CC)N1 238289259 573138167 /nfs/dbraw/zinc/13/81/67/573138167.db2.gz GSBNTPGALLAWGH-RITPCOANSA-N 0 0 190.337 1.670 10 0 ADAERN Cc1cc2c(c(C)c1O)OC[C@H]2[NH3+] 104659666 573138173 /nfs/dbraw/zinc/13/81/73/573138173.db2.gz CBRZMJVLJJZVEC-MRVPVSSYSA-N 0 0 179.219 1.401 10 0 ADAERN CC[C@@](C)(O)c1ccc(CO)cc1 238299317 573138213 /nfs/dbraw/zinc/13/82/13/573138213.db2.gz SQKUJRGUKQPOSR-LLVKDONJSA-N 0 0 180.247 1.796 10 0 ADAERN C[C@H]([NH3+])c1ccsc1CO 104661820 573138248 /nfs/dbraw/zinc/13/82/48/573138248.db2.gz QZMPABXPUNQFHW-YFKPBYRVSA-N 0 0 157.238 1.260 10 0 ADAERN Nc1cccc([C@@H]([NH3+])C2CC2)n1 104662730 573139002 /nfs/dbraw/zinc/13/90/02/573139002.db2.gz QSIMGBDCWRVDRK-VIFPVBQESA-N 0 0 163.224 1.074 10 0 ADAERN CC(C)(C)C[C@H]1NC(=O)C[C@@H]1CCO 215077952 573138255 /nfs/dbraw/zinc/13/82/55/573138255.db2.gz SHBNVXBXRWQRTG-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN OC1(C2CC2)CCC1 85754308 573138268 /nfs/dbraw/zinc/13/82/68/573138268.db2.gz AAUCCPBMMDKYLY-UHFFFAOYSA-N 0 0 112.172 1.311 10 0 ADAERN C1CCC(C2=NCCO2)C1 114926240 573138273 /nfs/dbraw/zinc/13/82/73/573138273.db2.gz LRSJKYAYYCVHLZ-UHFFFAOYSA-N 0 0 139.198 1.605 10 0 ADAERN CC[C@@H](C)NC(=O)N(O)CC 238289326 573138313 /nfs/dbraw/zinc/13/83/13/573138313.db2.gz JNWBGDOIHUEUME-ZCFIWIBFSA-N 0 0 160.217 1.206 10 0 ADAERN CCC(CC)[C@H](C)N[C@@H]1CCOC1=O 308507548 573138321 /nfs/dbraw/zinc/13/83/21/573138321.db2.gz JKYTZMZEWUCOTQ-WCBMZHEXSA-N 0 0 199.294 1.716 10 0 ADAERN CC1(c2cc(N)n[nH]2)CCOCC1 257953411 573138336 /nfs/dbraw/zinc/13/83/36/573138336.db2.gz WKQITJUHYNJKLH-UHFFFAOYSA-N 0 0 181.239 1.060 10 0 ADAERN CC[C@H]1CCC(=O)N[C@H]1CC 238289425 573138346 /nfs/dbraw/zinc/13/83/46/573138346.db2.gz VQXXIOQFWMOUIT-YUMQZZPRSA-N 0 0 155.241 1.701 10 0 ADAERN CC[C@H]1CCC(=O)N[C@@H]1CC 238289383 573138393 /nfs/dbraw/zinc/13/83/93/573138393.db2.gz VQXXIOQFWMOUIT-JGVFFNPUSA-N 0 0 155.241 1.701 10 0 ADAERN CC(=O)[C@@H]1CCC[C@@H]2C=NN(C)[C@H]21 257729629 573138363 /nfs/dbraw/zinc/13/83/63/573138363.db2.gz NJBVEBRPFHWMJY-KXUCPTDWSA-N 0 0 180.251 1.292 10 0 ADAERN C[NH+](C)[C@@H]1CCCc2sc(=O)[nH]c21 238289105 573138423 /nfs/dbraw/zinc/13/84/23/573138423.db2.gz SZTKMDASBZLKHS-ZCFIWIBFSA-N 0 0 198.291 1.375 10 0 ADAERN C/C=C/[C@@H](O)CC(=O)OC(C)(C)C 214306813 573138452 /nfs/dbraw/zinc/13/84/52/573138452.db2.gz WBZAGOIDYPBGKK-HQZHTGGTSA-N 0 0 186.251 1.655 10 0 ADAERN CCOC(=O)c1c(C)nn(C)c1F 238299656 573138468 /nfs/dbraw/zinc/13/84/68/573138468.db2.gz FFGDLCRUSUQUHO-UHFFFAOYSA-N 0 0 186.186 1.044 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1ccoc1 104660602 573138477 /nfs/dbraw/zinc/13/84/77/573138477.db2.gz BFMZGBZZBAJAGK-SSDOTTSWSA-N 0 0 183.207 1.390 10 0 ADAERN COc1cc2c(cc1F)[C@H]([NH3+])CO2 104661051 573138484 /nfs/dbraw/zinc/13/84/84/573138484.db2.gz SHCRTJWZIRYQDU-SSDOTTSWSA-N 0 0 183.182 1.227 10 0 ADAERN Cc1oc(N)nc1-c1ccncc1 258536519 573138485 /nfs/dbraw/zinc/13/84/85/573138485.db2.gz HVDUODCUMFMVQK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN COC(=N)c1cc(C)ccn1 82643832 573138486 /nfs/dbraw/zinc/13/84/86/573138486.db2.gz CNCOFKKJIAGAGI-UHFFFAOYSA-N 0 0 150.181 1.362 10 0 ADAERN CN(C)c1nc(N)c2sccc2n1 238289490 573138487 /nfs/dbraw/zinc/13/84/87/573138487.db2.gz OUKBLKSUESUKFX-UHFFFAOYSA-N 0 0 194.263 1.340 10 0 ADAERN CO[C@@](C)(CO)C1CCC1 258535861 573138552 /nfs/dbraw/zinc/13/85/52/573138552.db2.gz NWJIFWOGPHYUSB-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H]([NH3+])c1nc(F)c(F)cc1F 104661571 573138555 /nfs/dbraw/zinc/13/85/55/573138555.db2.gz BMQJZQGZRMRYIW-VKHMYHEASA-N 0 0 176.141 1.519 10 0 ADAERN C/C=C/[C@H](O)CC(=O)OC(C)(C)C 214306701 573138580 /nfs/dbraw/zinc/13/85/80/573138580.db2.gz WBZAGOIDYPBGKK-GJIOHYHPSA-N 0 0 186.251 1.655 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H](C)C(C)=O 238299346 573139015 /nfs/dbraw/zinc/13/90/15/573139015.db2.gz DORPDHAWSZPGBH-ACLDMZEESA-N 0 0 158.241 1.619 10 0 ADAERN CC[C@H]([NH3+])c1ccc(F)nc1F 104661798 573138599 /nfs/dbraw/zinc/13/85/99/573138599.db2.gz QUVMBHXINNLSRN-LURJTMIESA-N 0 0 172.178 1.770 10 0 ADAERN CCC(CC)[C@H](C)N[C@H]1CCOC1=O 308507550 573138600 /nfs/dbraw/zinc/13/86/00/573138600.db2.gz JKYTZMZEWUCOTQ-WPRPVWTQSA-N 0 0 199.294 1.716 10 0 ADAERN Nc1cc2c(cc1F)[C@@H]([NH3+])CCO2 104662146 573139016 /nfs/dbraw/zinc/13/90/16/573139016.db2.gz HBAFDDGXRDCSAI-ZETCQYMHSA-N 0 0 182.198 1.190 10 0 ADAERN CC(C)[C@@H](CO)C1(C(C)C)COC1 258535617 573138655 /nfs/dbraw/zinc/13/86/55/573138655.db2.gz IUHVDOBNMKLCPP-SNVBAGLBSA-N 0 0 186.295 1.924 10 0 ADAERN C[C@H](O)Cc1c(F)ccc2c1OCC2 257956048 573138656 /nfs/dbraw/zinc/13/86/56/573138656.db2.gz BKUZSLQNGCXYQW-ZETCQYMHSA-N 0 0 196.221 1.684 10 0 ADAERN NOCc1c(F)ccc2ccoc12 257955864 573138669 /nfs/dbraw/zinc/13/86/69/573138669.db2.gz GFDCIJCCNLUGIU-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN Cc1ccnc([C@H](O)[C@H]2CCOC2)c1 82643608 573139018 /nfs/dbraw/zinc/13/90/18/573139018.db2.gz ISINLPFNRIPUJE-GXSJLCMTSA-N 0 0 193.246 1.460 10 0 ADAERN CC[C@H]([NH3+])c1ccsc1CO 104661824 573138693 /nfs/dbraw/zinc/13/86/93/573138693.db2.gz SRNWJXCZPYLJPE-ZETCQYMHSA-N 0 0 171.265 1.650 10 0 ADAERN CC[C@@H]1OC(=O)C[C@H]2CCC[C@@H]1[NH2+]2 238289579 573139107 /nfs/dbraw/zinc/13/91/07/573139107.db2.gz MKMNKXZQFUYAHN-VGMNWLOBSA-N 0 0 183.251 1.223 10 0 ADAERN NOC[C@@H]1Cc2cc(F)ccc2S1 257956740 573138737 /nfs/dbraw/zinc/13/87/37/573138737.db2.gz FNMSWTMPPJRYDG-QMMMGPOBSA-N 0 0 199.250 1.733 10 0 ADAERN CC[C@H]([NH3+])c1cccc(N)n1 104661582 573138753 /nfs/dbraw/zinc/13/87/53/573138753.db2.gz XAJAMDRHYHSLFN-LURJTMIESA-N 0 0 151.213 1.074 10 0 ADAERN CNc1ncc(-c2ccc[nH]2)cn1 259342156 573138757 /nfs/dbraw/zinc/13/87/57/573138757.db2.gz QXCIBKDJRFLIJR-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CCS[C@@H]1CC[C@H](O)OC1 238289616 573138758 /nfs/dbraw/zinc/13/87/58/573138758.db2.gz TVJBBKDDERGQNO-RNFRBKRXSA-N 0 0 162.254 1.237 10 0 ADAERN [NH3+][C@H]1CCOc2cc(O)c(F)cc21 104659651 573138769 /nfs/dbraw/zinc/13/87/69/573138769.db2.gz UDJNABBFLBBNQO-ZETCQYMHSA-N 0 0 183.182 1.314 10 0 ADAERN COc1cccc2c1[C@H](C(C)=O)CO2 257956561 573138773 /nfs/dbraw/zinc/13/87/73/573138773.db2.gz FLJYJYKJMOOEEV-QMMMGPOBSA-N 0 0 192.214 1.760 10 0 ADAERN CCOC(=O)Nc1ccno1 238289567 573138784 /nfs/dbraw/zinc/13/87/84/573138784.db2.gz OLPQIPLABIHXHB-UHFFFAOYSA-N 0 0 156.141 1.243 10 0 ADAERN CCc1nnc(C(C)(C)C)c(=O)[n-]1 238289532 573139023 /nfs/dbraw/zinc/13/90/23/573139023.db2.gz FBHBZCXIQZUOOC-UHFFFAOYSA-N 0 0 181.239 1.025 10 0 ADAERN CO/C(=C\CO)c1ccccc1 225289229 573138801 /nfs/dbraw/zinc/13/88/01/573138801.db2.gz UFZBZSGHKYXNEW-YFHOEESVSA-N 0 0 164.204 1.666 10 0 ADAERN OCc1noc2c1CCC21CC1 642851799 573138805 /nfs/dbraw/zinc/13/88/05/573138805.db2.gz LULMZTXAVYALTL-UHFFFAOYSA-N 0 0 165.192 1.145 10 0 ADAERN NC(=O)NCC(Cl)(Cl)Cl 114937096 573138822 /nfs/dbraw/zinc/13/88/22/573138822.db2.gz QJHDDKMHIGGWKX-UHFFFAOYSA-N 0 0 191.445 1.025 10 0 ADAERN CCC[C@@H]([NH3+])c1ccncc1N 104661331 573138823 /nfs/dbraw/zinc/13/88/23/573138823.db2.gz KGSLSIBOGMNHAW-MRVPVSSYSA-N 0 0 165.240 1.464 10 0 ADAERN Cc1cc(F)cc2c(=O)[nH]ccc12 123712666 573138824 /nfs/dbraw/zinc/13/88/24/573138824.db2.gz NCJWFCJCFRUMBU-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN COCC[C@H](NC(C)=O)C(C)(C)C 308280705 573138835 /nfs/dbraw/zinc/13/88/35/573138835.db2.gz XSPYBHGYURXXFA-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN COC[C@@H]([NH3+])c1cc(O)ccc1C 104661445 573138861 /nfs/dbraw/zinc/13/88/61/573138861.db2.gz YPAGNRGDARPKLY-SNVBAGLBSA-N 0 0 181.235 1.347 10 0 ADAERN COC[C@H]([NH3+])c1ccc(Cl)o1 104662620 573138873 /nfs/dbraw/zinc/13/88/73/573138873.db2.gz RESWCWJMFFLPJY-YFKPBYRVSA-N 0 0 175.615 1.579 10 0 ADAERN CCOC(=O)Nc1ccc(OC)nn1 238288984 573138883 /nfs/dbraw/zinc/13/88/83/573138883.db2.gz ANNBHQHSPNWBNI-UHFFFAOYSA-N 0 0 197.194 1.054 10 0 ADAERN C[C@@H]([NH3+])c1ccsc1CO 104662577 573138887 /nfs/dbraw/zinc/13/88/87/573138887.db2.gz QZMPABXPUNQFHW-RXMQYKEDSA-N 0 0 157.238 1.260 10 0 ADAERN CCS[C@@H](OC)C(C)=O 238289120 573138893 /nfs/dbraw/zinc/13/88/93/573138893.db2.gz NRRACERPCZYXJL-ZCFIWIBFSA-N 0 0 148.227 1.301 10 0 ADAERN COC(C)(C)c1ccc(CON)cc1 257955948 573138895 /nfs/dbraw/zinc/13/88/95/573138895.db2.gz BJJLYPSUBBBGAS-UHFFFAOYSA-N 0 0 195.262 1.958 10 0 ADAERN Cn1nc(C=O)c2c1CC[C@@H]2F 258535987 573138898 /nfs/dbraw/zinc/13/88/98/573138898.db2.gz NYLJVHWCQUKTMC-YFKPBYRVSA-N 0 0 168.171 1.189 10 0 ADAERN CCc1cccc(CON)c1F 238299687 573138901 /nfs/dbraw/zinc/13/89/01/573138901.db2.gz JEYSFEHNAUDBFS-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)c1cccnc1 689923566 573138909 /nfs/dbraw/zinc/13/89/09/573138909.db2.gz SEDJWQMLGDWCAB-NXEZZACHSA-N 0 0 191.230 1.689 10 0 ADAERN Cc1ccnc(-c2nc(CO)c[nH]2)c1 82643905 573138919 /nfs/dbraw/zinc/13/89/19/573138919.db2.gz BBBUOLKHNOBTPE-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN CCOc1ncccc1[C@@H]1CC[NH2+]1 104660631 573138992 /nfs/dbraw/zinc/13/89/92/573138992.db2.gz BMAQHQXOLGUALB-VIFPVBQESA-N 0 0 178.235 1.515 10 0 ADAERN Nc1cnccc1[C@H]([NH3+])C1CC1 104661349 573138947 /nfs/dbraw/zinc/13/89/47/573138947.db2.gz KRUZYCIFLNUBHR-SECBINFHSA-N 0 0 163.224 1.074 10 0 ADAERN [NH3+][C@H]1CCc2c(ccc(O)c2F)C1 104661100 573138963 /nfs/dbraw/zinc/13/89/63/573138963.db2.gz HBZCZSKDXAGSKH-ZETCQYMHSA-N 0 0 181.210 1.347 10 0 ADAERN CC[C@@H]1[NH2+][C@H](C)CC(=O)[C@@H]1C 238289025 573138964 /nfs/dbraw/zinc/13/89/64/573138964.db2.gz ZYKDQVBKWBIVCS-PRJMDXOYSA-N 0 0 155.241 1.352 10 0 ADAERN O=c1[nH]c2cccnc2cc1Cl 257955891 573138971 /nfs/dbraw/zinc/13/89/71/573138971.db2.gz GGAIITMBZSZZBA-UHFFFAOYSA-N 0 0 180.594 1.989 10 0 ADAERN CCc1nn(C)c2nc(F)ccc12 238289061 573138978 /nfs/dbraw/zinc/13/89/78/573138978.db2.gz BXTGFRITDXTFGL-UHFFFAOYSA-N 0 0 179.198 1.670 10 0 ADAERN Nc1ccc([C@@H]2CCC[NH2+]2)cc1[S-] 259341568 573138981 /nfs/dbraw/zinc/13/89/81/573138981.db2.gz FEUPZIOHJGTPID-VIFPVBQESA-N 0 0 194.303 1.982 10 0 ADAERN Cn1nc(N)c2c1CCC[C@@H]2F 258535822 573138984 /nfs/dbraw/zinc/13/89/84/573138984.db2.gz NVZBTJQKCMLQCT-YFKPBYRVSA-N 0 0 169.203 1.349 10 0 ADAERN C[NH2+][C@](C)(CC(=O)[O-])c1ccc(C)o1 107187457 573139033 /nfs/dbraw/zinc/13/90/33/573139033.db2.gz FUFFXUYYOKWWOF-SNVBAGLBSA-N 0 0 197.234 1.497 10 0 ADAERN COCc1c(F)ccc(CO)c1F 257955994 573139050 /nfs/dbraw/zinc/13/90/50/573139050.db2.gz BKGYQFSJPCJYTH-UHFFFAOYSA-N 0 0 188.173 1.604 10 0 ADAERN CC[C@H]1CC2(CCC2)CNC1=O 238289053 573139052 /nfs/dbraw/zinc/13/90/52/573139052.db2.gz CLKSXTYCHMLNET-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@@H]1C(=S)NC(=O)C1(C)C 238299363 573139057 /nfs/dbraw/zinc/13/90/57/573139057.db2.gz CZFHRBMHCZIMSC-RXMQYKEDSA-N 0 0 171.265 1.496 10 0 ADAERN CC(C)C(=O)OC[C@]1(C)CCOC1 308280816 573139068 /nfs/dbraw/zinc/13/90/68/573139068.db2.gz WXCUTKMQRCQZOI-SNVBAGLBSA-N 0 0 186.251 1.612 10 0 ADAERN Nc1cnccc1[C@H]1CCCC[NH2+]1 104662507 573139078 /nfs/dbraw/zinc/13/90/78/573139078.db2.gz CNZWWYDKCICFPS-SNVBAGLBSA-N 0 0 177.251 1.478 10 0 ADAERN C/C(=C/S(N)(=O)=O)c1ccccc1 82643163 573139093 /nfs/dbraw/zinc/13/90/93/573139093.db2.gz MSCJCFQSOXCHQK-FPLPWBNLSA-N 0 0 197.259 1.336 10 0 ADAERN CCOC(=O)Nc1cncc(OC)c1 238289652 573139120 /nfs/dbraw/zinc/13/91/20/573139120.db2.gz MXZWQUZCMRJPSQ-UHFFFAOYSA-N 0 0 196.206 1.659 10 0 ADAERN CCOC(=O)[C@]12CCC[C@H]1C[C@@H](O)C2 238289253 573139140 /nfs/dbraw/zinc/13/91/40/573139140.db2.gz AMOZJBQSKFLIRS-NGZCFLSTSA-N 0 0 198.262 1.491 10 0 ADAERN C/C=C\[C@@H](O)CC(=O)OC(C)(C)C 214306757 573139148 /nfs/dbraw/zinc/13/91/48/573139148.db2.gz WBZAGOIDYPBGKK-RPSMYOMKSA-N 0 0 186.251 1.655 10 0 ADAERN CC(C)[C@H]([NH3+])c1cc(CO)ccn1 104661523 573139175 /nfs/dbraw/zinc/13/91/75/573139175.db2.gz GVBWKDIFOXAOCY-JTQLQIEISA-N 0 0 180.251 1.230 10 0 ADAERN Cc1nn2ccccc2c1C(N)=S 114908752 573139185 /nfs/dbraw/zinc/13/91/85/573139185.db2.gz KJVVMTCOHSYVDY-UHFFFAOYSA-N 0 0 191.259 1.277 10 0 ADAERN O=C([O-])/C=C\CC[NH+]1CCCC1 257955826 573139199 /nfs/dbraw/zinc/13/91/99/573139199.db2.gz GEDUNHPCGAJYGG-KTAJNNJTSA-N 0 0 169.224 1.113 10 0 ADAERN CC[C@@H]1OC(=O)CC[C@@H]1C(C)=O 238289454 573139231 /nfs/dbraw/zinc/13/92/31/573139231.db2.gz NYTXPAWHRNSQGC-SFYZADRCSA-N 0 0 170.208 1.307 10 0 ADAERN COC[C@@H]([NH3+])c1ccc(O)cc1C 104661438 573139234 /nfs/dbraw/zinc/13/92/34/573139234.db2.gz CDJUNVRTSDCIBL-SNVBAGLBSA-N 0 0 181.235 1.347 10 0 ADAERN CCC(CC)[C@H](C)NC#N 82632655 573139275 /nfs/dbraw/zinc/13/92/75/573139275.db2.gz CZFUAVOPDGLGMN-ZETCQYMHSA-N 0 0 140.230 1.882 10 0 ADAERN Cc1nn2ccsc2c1C(N)=S 114908985 573139276 /nfs/dbraw/zinc/13/92/76/573139276.db2.gz WOUUNSHAJALBHV-UHFFFAOYSA-N 0 0 197.288 1.338 10 0 ADAERN Cc1cc2c(c(C)c1O)OC[C@@H]2[NH3+] 104662259 573139278 /nfs/dbraw/zinc/13/92/78/573139278.db2.gz CBRZMJVLJJZVEC-QMMMGPOBSA-N 0 0 179.219 1.401 10 0 ADAERN C[C@H](O)c1cccc2oc(=O)[nH]c12 257956675 573139279 /nfs/dbraw/zinc/13/92/79/573139279.db2.gz GIRFWKXRAHWCGU-YFKPBYRVSA-N 0 0 179.175 1.587 10 0 ADAERN CC(C)C[C@H]1NC(=O)CC[C@@H]1CCO 215078024 573139285 /nfs/dbraw/zinc/13/92/85/573139285.db2.gz RTFVLFHYBULUMK-NXEZZACHSA-N 0 0 199.294 1.310 10 0 ADAERN CSC[C@@H](CO)c1ccccc1O 257955491 573139301 /nfs/dbraw/zinc/13/93/01/573139301.db2.gz AUFLUZADJNIDTB-MRVPVSSYSA-N 0 0 198.287 1.831 10 0 ADAERN C[C@H](O)C(C)(C)F 142098168 573139307 /nfs/dbraw/zinc/13/93/07/573139307.db2.gz ZLKPVVZVRZPBQM-BYPYZUCNSA-N 0 0 106.140 1.115 10 0 ADAERN CCc1ccc2c(c1)OCCC(=O)N2 238289246 573139309 /nfs/dbraw/zinc/13/93/09/573139309.db2.gz FCCVMEQSEBOCHW-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN CC[C@](C)(O)/C=C/[C@@H](C)O 238289118 573139347 /nfs/dbraw/zinc/13/93/47/573139347.db2.gz PXOWREYYJJETRU-KTERXBQFSA-N 0 0 144.214 1.084 10 0 ADAERN CCc1oc(=S)[nH]c1C 114925438 573139449 /nfs/dbraw/zinc/13/94/49/573139449.db2.gz RBQPLFALBQVKSP-UHFFFAOYSA-N 0 0 143.211 1.834 10 0 ADAERN CCn1c(C)nc2c(N)c(O)ccc21 238289785 573139486 /nfs/dbraw/zinc/13/94/86/573139486.db2.gz QMNPUWCYSRZWBU-UHFFFAOYSA-N 0 0 191.234 1.652 10 0 ADAERN CCN(C(=O)NC)C(C)(C)C 114937878 573139509 /nfs/dbraw/zinc/13/95/09/573139509.db2.gz TVBQZAGYTBPRLX-UHFFFAOYSA-N 0 0 158.245 1.446 10 0 ADAERN Clc1ccncc1[C@@H]1CC[NH2+]1 104660052 573139557 /nfs/dbraw/zinc/13/95/57/573139557.db2.gz SOCDKCGQYYSVMX-QMMMGPOBSA-N 0 0 168.627 1.769 10 0 ADAERN COCc1cc(CON)ccc1OC 257955960 573139569 /nfs/dbraw/zinc/13/95/69/573139569.db2.gz BJNOQHHAIBFILR-UHFFFAOYSA-N 0 0 197.234 1.232 10 0 ADAERN CCc1noc(-c2cncc(O)c2)n1 82644436 573139571 /nfs/dbraw/zinc/13/95/71/573139571.db2.gz FJWGGZHOVHZQRW-UHFFFAOYSA-N 0 0 191.190 1.400 10 0 ADAERN N=c1sccn1CC1CCC1 114895913 573140016 /nfs/dbraw/zinc/14/00/16/573140016.db2.gz WMXVWLDJRSHYJB-UHFFFAOYSA-N 0 0 168.265 1.829 10 0 ADAERN COC[C@H]([NH3+])c1cccc(F)c1C 104660272 573139603 /nfs/dbraw/zinc/13/96/03/573139603.db2.gz RYVCVCADPGAYHE-JTQLQIEISA-N 0 0 183.226 1.780 10 0 ADAERN Nc1ccc([C@H]2CCC[NH2+]2)cc1[S-] 259341557 573139617 /nfs/dbraw/zinc/13/96/17/573139617.db2.gz FEUPZIOHJGTPID-SECBINFHSA-N 0 0 194.303 1.982 10 0 ADAERN CCc1cc(CC2(O)CCC2)n(C)n1 85754569 573139641 /nfs/dbraw/zinc/13/96/41/573139641.db2.gz ATWRGICRPCNNJM-UHFFFAOYSA-N 0 0 194.278 1.440 10 0 ADAERN CC[C@@H]1C=C2COC[C@H]2CC1=O 238299513 573139643 /nfs/dbraw/zinc/13/96/43/573139643.db2.gz VZAFMSYAPPGDKF-VXNVDRBHSA-N 0 0 166.220 1.558 10 0 ADAERN CC(=O)C1CCN(CC(F)F)CC1 82644792 573139656 /nfs/dbraw/zinc/13/96/56/573139656.db2.gz HAIZSJHESPRNEM-UHFFFAOYSA-N 0 0 191.221 1.553 10 0 ADAERN CC[C@H]1CCC=C2NC(=[NH2+])C=NN2C1 238289570 573139669 /nfs/dbraw/zinc/13/96/69/573139669.db2.gz QQKBEEBJJBGFDG-QMMMGPOBSA-N 0 0 192.266 1.306 10 0 ADAERN CCc1cn2c(N)c[nH+]c2cc1OC 238299263 573139701 /nfs/dbraw/zinc/13/97/01/573139701.db2.gz WJDFEQOBCYPTNO-UHFFFAOYSA-N 0 0 191.234 1.488 10 0 ADAERN CC(=O)Cc1cnc([C@@H]2CCOC2)o1 257954842 573139719 /nfs/dbraw/zinc/13/97/19/573139719.db2.gz FZFWBPCLZZGNEB-MRVPVSSYSA-N 0 0 195.218 1.310 10 0 ADAERN CCn1nc(N)cc1C(C)C 258545990 573139723 /nfs/dbraw/zinc/13/97/23/573139723.db2.gz PAXNVOXMSKBCCH-UHFFFAOYSA-N 0 0 153.229 1.609 10 0 ADAERN CN1c2ccccc2C[C@@H]1C(C)(C)O 257954846 573139802 /nfs/dbraw/zinc/13/98/02/573139802.db2.gz SDZXISYKAGMFSF-LLVKDONJSA-N 0 0 191.274 1.818 10 0 ADAERN Oc1ccccc1C1(F)CNC1 258537569 573139806 /nfs/dbraw/zinc/13/98/06/573139806.db2.gz OCWORGSNJPYEPS-UHFFFAOYSA-N 0 0 167.183 1.160 10 0 ADAERN CSC[C@H](CO)c1ccccc1O 257955493 573139808 /nfs/dbraw/zinc/13/98/08/573139808.db2.gz AUFLUZADJNIDTB-QMMMGPOBSA-N 0 0 198.287 1.831 10 0 ADAERN O=c1ccc([C@H]2CC[NH2+]2)c(Cl)[nH]1 104660787 573139825 /nfs/dbraw/zinc/13/98/25/573139825.db2.gz VZKHTNGATUJLRI-ZCFIWIBFSA-N 0 0 184.626 1.475 10 0 ADAERN CCC(CC)[C@H](C)NC(C)=O 82644286 573139850 /nfs/dbraw/zinc/13/98/50/573139850.db2.gz DSKKHRNOWLWACQ-ZETCQYMHSA-N 0 0 157.257 1.947 10 0 ADAERN CC[C@@H]1OC(=O)NC(=O)C1(CC)CC 238289720 573139854 /nfs/dbraw/zinc/13/98/54/573139854.db2.gz ULNKQINULMPXDA-ZETCQYMHSA-N 0 0 199.250 1.838 10 0 ADAERN COC[C@H]([NH3+])c1cc(C)oc1C 104662650 573139857 /nfs/dbraw/zinc/13/98/57/573139857.db2.gz JMYHJTSOHXGHFD-VIFPVBQESA-N 0 0 169.224 1.543 10 0 ADAERN OCCCC1(c2ccc[nH]2)COC1 259338276 573140006 /nfs/dbraw/zinc/14/00/06/573140006.db2.gz SQCWHPFVOBMDPJ-UHFFFAOYSA-N 0 0 181.235 1.055 10 0 ADAERN COc1cc2c(cc1F)OC[C@H]2[NH3+] 104659778 573139887 /nfs/dbraw/zinc/13/98/87/573139887.db2.gz CGMBEBPPMRWQTO-SSDOTTSWSA-N 0 0 183.182 1.227 10 0 ADAERN CNC(NC)c1ccccc1F 259341302 573139892 /nfs/dbraw/zinc/13/98/92/573139892.db2.gz KJDMQPBELCNXON-UHFFFAOYSA-N 0 0 168.215 1.263 10 0 ADAERN CCOC(=N)c1cc(C)ccn1 82643833 573139946 /nfs/dbraw/zinc/13/99/46/573139946.db2.gz KSDRDLBHENVAPE-UHFFFAOYSA-N 0 0 164.208 1.752 10 0 ADAERN COC[C@@H]([NH3+])c1ccc(Cl)o1 104662626 573139956 /nfs/dbraw/zinc/13/99/56/573139956.db2.gz RESWCWJMFFLPJY-RXMQYKEDSA-N 0 0 175.615 1.579 10 0 ADAERN CCc1nc(C2(CO)CC2)[nH]c1C 258547388 573139976 /nfs/dbraw/zinc/13/99/76/573139976.db2.gz KLBNGVNUUKDWBY-UHFFFAOYSA-N 0 0 180.251 1.304 10 0 ADAERN COC[C@@H]([NH3+])c1cc(C)c(C)o1 104661482 573139986 /nfs/dbraw/zinc/13/99/86/573139986.db2.gz SIXKFPRGKXBRSM-MRVPVSSYSA-N 0 0 169.224 1.543 10 0 ADAERN COCc1ccc2cc[nH]c(=O)c2c1 123711961 573139994 /nfs/dbraw/zinc/13/99/94/573139994.db2.gz QZPNYDRSXKAIKI-UHFFFAOYSA-N 0 0 189.214 1.675 10 0 ADAERN CCNC(=O)c1cccc2c1NCC2 257955337 573140018 /nfs/dbraw/zinc/14/00/18/573140018.db2.gz CNVYUSFIIKQWSG-UHFFFAOYSA-N 0 0 190.246 1.404 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ccncc1N 104660200 573140020 /nfs/dbraw/zinc/14/00/20/573140020.db2.gz OUXRIGQZMHUBJS-SECBINFHSA-N 0 0 165.240 1.320 10 0 ADAERN OCCc1cc(F)cc(Cl)c1O 257955896 573140037 /nfs/dbraw/zinc/14/00/37/573140037.db2.gz BIJOQRHNCPWSGV-UHFFFAOYSA-N 0 0 190.601 1.720 10 0 ADAERN CNOCc1ccccc1OC 258537430 573140076 /nfs/dbraw/zinc/14/00/76/573140076.db2.gz OADRBNSMWVWZCQ-UHFFFAOYSA-N 0 0 167.208 1.346 10 0 ADAERN CCCc1cc(N)nn1C(C)C 258550175 573140084 /nfs/dbraw/zinc/14/00/84/573140084.db2.gz PGXUJIRZYISQAX-UHFFFAOYSA-N 0 0 167.256 1.999 10 0 ADAERN CCOC(=O)c1ncnc2c1CCC2 238299549 573140086 /nfs/dbraw/zinc/14/00/86/573140086.db2.gz YODPHLNHRATIRF-UHFFFAOYSA-N 0 0 192.218 1.142 10 0 ADAERN Cc1ccnc(-c2noc(C=O)n2)c1 82643931 573140140 /nfs/dbraw/zinc/14/01/40/573140140.db2.gz VEZPYNREPFWNND-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN CC(=O)Cc1cnc([C@H]2CCOC2)o1 257954844 573140165 /nfs/dbraw/zinc/14/01/65/573140165.db2.gz FZFWBPCLZZGNEB-QMMMGPOBSA-N 0 0 195.218 1.310 10 0 ADAERN COc1c(F)ccc2c1OC[C@@H]2[NH3+] 104659784 573140206 /nfs/dbraw/zinc/14/02/06/573140206.db2.gz CGZJGDPVXQXJRW-ZETCQYMHSA-N 0 0 183.182 1.227 10 0 ADAERN C[C@@H]1C[C@@]1(CO)C(F)(F)F 258547908 573140228 /nfs/dbraw/zinc/14/02/28/573140228.db2.gz PBLXAIBEMWPZDS-UHNVWZDZSA-N 0 0 154.131 1.567 10 0 ADAERN CCC[C@@H](C)[C@@H](NN)c1cnn(C)c1 128930656 573140237 /nfs/dbraw/zinc/14/02/37/573140237.db2.gz OXKQSOQNBNXFKY-PSASIEDQSA-N 0 0 196.298 1.361 10 0 ADAERN Nc1cnccc1[C@H]([NH3+])CC1CC1 104661371 573140239 /nfs/dbraw/zinc/14/02/39/573140239.db2.gz ORUQBZLPIUMNMF-SECBINFHSA-N 0 0 177.251 1.464 10 0 ADAERN CC(C)OC(=O)CN[C@H]1CC[C@H](C)C1 128929838 573140257 /nfs/dbraw/zinc/14/02/57/573140257.db2.gz SFIUOGPNNUAHEI-UWVGGRQHSA-N 0 0 199.294 1.716 10 0 ADAERN CCOC(=O)Nc1cnn2cc[nH]c12 238289682 573140270 /nfs/dbraw/zinc/14/02/70/573140270.db2.gz VKNOUBGCZRSVGA-UHFFFAOYSA-N 0 0 194.194 1.231 10 0 ADAERN CCc1cn2ccnc(OC)c2n1 238299401 573140277 /nfs/dbraw/zinc/14/02/77/573140277.db2.gz GNJQZKHOOOJMHX-UHFFFAOYSA-N 0 0 177.207 1.300 10 0 ADAERN OC1(Cc2ccncc2)CCC1 85754529 573140290 /nfs/dbraw/zinc/14/02/90/573140290.db2.gz JKOYTIAOZRRTRR-UHFFFAOYSA-N 0 0 163.220 1.539 10 0 ADAERN CCc1c(F)ccc2c1OC[C@@H]2[NH3+] 238299751 573140318 /nfs/dbraw/zinc/14/03/18/573140318.db2.gz SYVJTZSENODYRU-VIFPVBQESA-N 0 0 181.210 1.780 10 0 ADAERN [NH3+]C1CC(c2cccc(C(=O)[O-])c2)C1 259341133 573140325 /nfs/dbraw/zinc/14/03/25/573140325.db2.gz FCYMLZSEKGXCKF-UHFFFAOYSA-N 0 0 191.230 1.590 10 0 ADAERN CC[C@@H]1CC2(CCC2)CNC1=O 238299786 573140330 /nfs/dbraw/zinc/14/03/30/573140330.db2.gz CLKSXTYCHMLNET-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN CNOCCOc1ccc(C)cc1 257954929 573140339 /nfs/dbraw/zinc/14/03/39/573140339.db2.gz MRTWDHYWEXFBCV-UHFFFAOYSA-N 0 0 181.235 1.525 10 0 ADAERN CCOC(=O)C(N)=C(Cl)Cl 238299244 573140346 /nfs/dbraw/zinc/14/03/46/573140346.db2.gz NDUDQCJDZZKECA-UHFFFAOYSA-N 0 0 184.022 1.155 10 0 ADAERN Cc1cc2c(cc1F)OC[C@H]2[NH3+] 104660980 573140362 /nfs/dbraw/zinc/14/03/62/573140362.db2.gz HDUCQCQMWRZQGM-MRVPVSSYSA-N 0 0 167.183 1.526 10 0 ADAERN COC[C@H]([NH3+])c1ccc(O)cc1C 104661441 573140372 /nfs/dbraw/zinc/14/03/72/573140372.db2.gz CDJUNVRTSDCIBL-JTQLQIEISA-N 0 0 181.235 1.347 10 0 ADAERN Cc1cnc(N)c(C2(O)CCC2)c1 85754347 573140534 /nfs/dbraw/zinc/14/05/34/573140534.db2.gz BTLOAOLUGVSVTA-UHFFFAOYSA-N 0 0 178.235 1.344 10 0 ADAERN OCSc1ccc2c(c1)OCCO2 259344309 573140428 /nfs/dbraw/zinc/14/04/28/573140428.db2.gz YDVAZIVAANHMME-UHFFFAOYSA-N 0 0 198.243 1.500 10 0 ADAERN CCOC[C@H]1C(=O)CC[C@H]1C 238289075 573140429 /nfs/dbraw/zinc/14/04/29/573140429.db2.gz VQWHYBVHESTSIR-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN Nc1cc([C@H]2CCCCO2)on1 258548458 573140438 /nfs/dbraw/zinc/14/04/38/573140438.db2.gz PEQPPJACJSEZDO-ZCFIWIBFSA-N 0 0 168.196 1.498 10 0 ADAERN C[C@H](CC[NH3+])c1cccc(C(=O)[O-])c1 259341307 573140449 /nfs/dbraw/zinc/14/04/49/573140449.db2.gz FDUKSESJQRBDSO-MRVPVSSYSA-N 0 0 193.246 1.837 10 0 ADAERN CNc1nc2cc(Cl)ccn2n1 259341075 573140464 /nfs/dbraw/zinc/14/04/64/573140464.db2.gz FCSZQWNXGHUTMG-UHFFFAOYSA-N 0 0 182.614 1.424 10 0 ADAERN Cc1noc(C2CCC2)c1N 258550610 573140479 /nfs/dbraw/zinc/14/04/79/573140479.db2.gz PHVJQSBLQYEFEK-UHFFFAOYSA-N 0 0 152.197 1.833 10 0 ADAERN NOC[C@H]1Cc2cc(F)ccc2S1 257956737 573140482 /nfs/dbraw/zinc/14/04/82/573140482.db2.gz FNMSWTMPPJRYDG-MRVPVSSYSA-N 0 0 199.250 1.733 10 0 ADAERN S=c1[nH]c2c(o1)CCCC2 114922498 573140483 /nfs/dbraw/zinc/14/04/83/573140483.db2.gz XMUDCLOLWTXZJS-UHFFFAOYSA-N 0 0 155.222 1.842 10 0 ADAERN COC[C@H]([NH3+])c1ccc(N)cc1C 104662614 573140497 /nfs/dbraw/zinc/14/04/97/573140497.db2.gz CBENMHXERAIHIC-JTQLQIEISA-N 0 0 180.251 1.223 10 0 ADAERN CCOc1ccc(CCO)c(F)c1 257956063 573140542 /nfs/dbraw/zinc/14/05/42/573140542.db2.gz BKYSOTLASXOFCX-UHFFFAOYSA-N 0 0 184.210 1.759 10 0 ADAERN COCc1oc(=S)[nH]c1C 114925251 573140543 /nfs/dbraw/zinc/14/05/43/573140543.db2.gz UVRRJZBGJDFCRZ-UHFFFAOYSA-N 0 0 159.210 1.418 10 0 ADAERN CCC[C@@H]1C=C(C(=O)[O-])CC[NH2+]1 258548371 573140546 /nfs/dbraw/zinc/14/05/46/573140546.db2.gz PEKMGECFNFYIOB-MRVPVSSYSA-N 0 0 169.224 1.159 10 0 ADAERN Cc1cc2c(c([C@H](C)O)c1O)CCO2 257955905 573140571 /nfs/dbraw/zinc/14/05/71/573140571.db2.gz BIPIUTDMAZXIFQ-ZETCQYMHSA-N 0 0 194.230 1.689 10 0 ADAERN CCC[C@@](C[NH3+])(C(=O)[O-])[C@H](C)F 257956410 573140576 /nfs/dbraw/zinc/14/05/76/573140576.db2.gz WWBVDTIQJJQUOJ-XPUUQOCRSA-N 0 0 177.219 1.174 10 0 ADAERN COCc1cnc2ccccn12 258546216 573140577 /nfs/dbraw/zinc/14/05/77/573140577.db2.gz NXWLHCFANVXNQZ-UHFFFAOYSA-N 0 0 162.192 1.481 10 0 ADAERN Nc1ccc2c(c1F)OCC[C@@H]2[NH3+] 104662151 573140584 /nfs/dbraw/zinc/14/05/84/573140584.db2.gz ZBEVSHRDBPOGKL-LURJTMIESA-N 0 0 182.198 1.190 10 0 ADAERN CN(C)c1cccc2c1OC[C@H]2[NH3+] 104659681 573140624 /nfs/dbraw/zinc/14/06/24/573140624.db2.gz XZTTVHRLPQQXDD-MRVPVSSYSA-N 0 0 178.235 1.145 10 0 ADAERN [NH3+][C@@H]1COc2c1ccc1[nH]ccc21 104660989 573140798 /nfs/dbraw/zinc/14/07/98/573140798.db2.gz GKPWAKTVBIYAPH-MRVPVSSYSA-N 0 0 174.203 1.560 10 0 ADAERN CC[C@@H]1C(CO)[C@H]1CC 238299510 573140654 /nfs/dbraw/zinc/14/06/54/573140654.db2.gz YKHUEPWSGGIWFX-BQBZGAKWSA-N 0 0 128.215 1.661 10 0 ADAERN O=C([O-])c1cc([C@@H]2CC[NH2+]2)cs1 104660647 573140666 /nfs/dbraw/zinc/14/06/66/573140666.db2.gz HKZCUFOHLGAYOC-LURJTMIESA-N 0 0 183.232 1.481 10 0 ADAERN Nc1ncc(CC2CCCC2)o1 258548218 573140688 /nfs/dbraw/zinc/14/06/88/573140688.db2.gz IVTNBDXWEZLDNY-UHFFFAOYSA-N 0 0 166.224 1.990 10 0 ADAERN Cc1ccnc(-c2nccc(=O)[nH]2)c1 82643455 573140801 /nfs/dbraw/zinc/14/08/01/573140801.db2.gz XKWPJRLOFHQADR-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cn1ccc2cccc(O)c2c1=O 257956474 573140699 /nfs/dbraw/zinc/14/06/99/573140699.db2.gz CYZHTBGVJBFEKN-UHFFFAOYSA-N 0 0 175.187 1.244 10 0 ADAERN CC[C@@]1(C)CNC(=O)OC1 258482288 573140802 /nfs/dbraw/zinc/14/08/02/573140802.db2.gz JHPMNHJNVXIJBC-ZETCQYMHSA-N 0 0 143.186 1.143 10 0 ADAERN COC[C@@H]([NH3+])c1cccc(O)c1 104660848 573140754 /nfs/dbraw/zinc/14/07/54/573140754.db2.gz XCAQMLGHOCFMPA-SECBINFHSA-N 0 0 167.208 1.038 10 0 ADAERN CC[C@@H]1C=C2COC[C@@H]2CC1=O 238299501 573140763 /nfs/dbraw/zinc/14/07/63/573140763.db2.gz VZAFMSYAPPGDKF-APPZFPTMSA-N 0 0 166.220 1.558 10 0 ADAERN Cc1noc2ccc(F)c(N)c12 259340771 573140804 /nfs/dbraw/zinc/14/08/04/573140804.db2.gz HGKHPBWAEZDELL-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN CCC[C@H]([NH3+])c1cccc(N)n1 104662718 573140809 /nfs/dbraw/zinc/14/08/09/573140809.db2.gz KSXFEGNOYAEZFA-ZETCQYMHSA-N 0 0 165.240 1.464 10 0 ADAERN CCc1cc([C@@H]([NH3+])O)ccc1OC 259601684 573140824 /nfs/dbraw/zinc/14/08/24/573140824.db2.gz XBZQJXVLTMTQFO-JTQLQIEISA-N 0 0 181.235 1.207 10 0 ADAERN Cc1cc(N)ccc1OCC(C)(C)O 114888909 573140848 /nfs/dbraw/zinc/14/08/48/573140848.db2.gz VWHMDPQYWHIULF-UHFFFAOYSA-N 0 0 195.262 1.727 10 0 ADAERN CC(C)[C@@H]1COC(CCCO)=N1 212261123 573140860 /nfs/dbraw/zinc/14/08/60/573140860.db2.gz BODGJBXHJGSSGG-QMMMGPOBSA-N 0 0 171.240 1.212 10 0 ADAERN OC[C@@H](F)C[C@H]1CCSC1 258550150 573144093 /nfs/dbraw/zinc/14/40/93/573144093.db2.gz PGLNYIBHBQAGSI-RQJHMYQMSA-N 0 0 164.245 1.460 10 0 ADAERN COCC(=NN)c1ccc(Cl)cc1 393504095 573140914 /nfs/dbraw/zinc/14/09/14/573140914.db2.gz WKIAGXHROOGVOF-UHFFFAOYSA-N 0 0 198.653 1.649 10 0 ADAERN Cc1ccn2nc(C(C)(C)O)nc2c1 259341115 573140926 /nfs/dbraw/zinc/14/09/26/573140926.db2.gz FCVHZIHSGDFTRY-UHFFFAOYSA-N 0 0 191.234 1.265 10 0 ADAERN CCc1cccc(CON)c1C 238299650 573140956 /nfs/dbraw/zinc/14/09/56/573140956.db2.gz WYOSZXAMVCOTRW-UHFFFAOYSA-N 0 0 165.236 1.948 10 0 ADAERN C[C@@H]1c2ccc(O)cc2CC[C@@H]1O 259337741 573140975 /nfs/dbraw/zinc/14/09/75/573140975.db2.gz OXOIHFJICIFWJY-HQJQHLMTSA-N 0 0 178.231 1.803 10 0 ADAERN O=Cc1coc2cc(O)ccc12 225291901 573140986 /nfs/dbraw/zinc/14/09/86/573140986.db2.gz FUTPSFPXGYKKFS-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN CCC[C@](C[NH3+])(C(=O)[O-])[C@@H](C)F 257956400 573140992 /nfs/dbraw/zinc/14/09/92/573140992.db2.gz WWBVDTIQJJQUOJ-HTRCEHHLSA-N 0 0 177.219 1.174 10 0 ADAERN CCc1c(F)ccc2c1[C@@H]([NH3+])CO2 238299682 573140994 /nfs/dbraw/zinc/14/09/94/573140994.db2.gz OXBZTBOCHJJMHU-QMMMGPOBSA-N 0 0 181.210 1.780 10 0 ADAERN O=CC1=NO[C@H](C2CCCC2)C1 258545857 573141014 /nfs/dbraw/zinc/14/10/14/573141014.db2.gz PACIGKVGYPZJMX-VIFPVBQESA-N 0 0 167.208 1.520 10 0 ADAERN COc1cccc2c1[C@@H](C(C)=O)CO2 257956560 573141017 /nfs/dbraw/zinc/14/10/17/573141017.db2.gz FLJYJYKJMOOEEV-MRVPVSSYSA-N 0 0 192.214 1.760 10 0 ADAERN COC(=O)/C=C/c1ccc(F)cc1O 114920681 573141018 /nfs/dbraw/zinc/14/10/18/573141018.db2.gz PARAVCOLJKWJFO-HWKANZROSA-N 0 0 196.177 1.718 10 0 ADAERN CCc1cc([C@H]([NH3+])O)ccc1OC 259601688 573141060 /nfs/dbraw/zinc/14/10/60/573141060.db2.gz XBZQJXVLTMTQFO-SNVBAGLBSA-N 0 0 181.235 1.207 10 0 ADAERN CCc1onc2cc(N)ccc12 258537636 573141063 /nfs/dbraw/zinc/14/10/63/573141063.db2.gz ODOIFOJQFHYBGM-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN CC(C)(C)C1(C)CNC(=O)NC1 258545744 573141073 /nfs/dbraw/zinc/14/10/73/573141073.db2.gz OYWGGZYKLCPFHI-UHFFFAOYSA-N 0 0 170.256 1.352 10 0 ADAERN CCOC[C@H]1C(=O)CC[C@@H]1C 238289049 573141089 /nfs/dbraw/zinc/14/10/89/573141089.db2.gz VQWHYBVHESTSIR-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN Cc1oc(=O)[nH]c1CC(C)C 258537455 573141119 /nfs/dbraw/zinc/14/11/19/573141119.db2.gz OAYUKWHXUOEAIN-UHFFFAOYSA-N 0 0 155.197 1.887 10 0 ADAERN CN1c2ccccc2C[C@H]1C(C)(C)O 257954850 573141120 /nfs/dbraw/zinc/14/11/20/573141120.db2.gz SDZXISYKAGMFSF-NSHDSACASA-N 0 0 191.274 1.818 10 0 ADAERN CC[C@H](O)c1cc(C)ccn1 82643511 573141126 /nfs/dbraw/zinc/14/11/26/573141126.db2.gz YQAHOJDAEXJREN-VIFPVBQESA-N 0 0 151.209 1.833 10 0 ADAERN NC(=S)c1ccnc2ccsc12 114911639 573141136 /nfs/dbraw/zinc/14/11/36/573141136.db2.gz DZNAFEWSXZNJDI-UHFFFAOYSA-N 0 0 194.284 1.931 10 0 ADAERN CC[C@H](C(N)=O)[C@H](CC)C1CC1 238289415 573141138 /nfs/dbraw/zinc/14/11/38/573141138.db2.gz DTWIMIITLXYPTO-BDAKNGLRSA-N 0 0 169.268 1.934 10 0 ADAERN Cn1ccc2cc(F)c(CON)cc21 257955908 573141142 /nfs/dbraw/zinc/14/11/42/573141142.db2.gz BIQVHWQTVBJPHP-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN CCC[C@](C)(O)CC(C)=O 114926477 573141144 /nfs/dbraw/zinc/14/11/44/573141144.db2.gz BMBDLJHNDKMZPG-QMMMGPOBSA-N 0 0 144.214 1.517 10 0 ADAERN CC[C@H](CO)c1nc(C)c(C)[nH]1 258549698 573141152 /nfs/dbraw/zinc/14/11/52/573141152.db2.gz KTCGJENLNCIEER-MRVPVSSYSA-N 0 0 168.240 1.512 10 0 ADAERN CCC[C@@](C)(O)CC(C)=O 114926476 573141162 /nfs/dbraw/zinc/14/11/62/573141162.db2.gz BMBDLJHNDKMZPG-MRVPVSSYSA-N 0 0 144.214 1.517 10 0 ADAERN O=c1ccc(Cl)nn1CC1CC1 114918829 573141175 /nfs/dbraw/zinc/14/11/75/573141175.db2.gz REQBBKLJXYJWCM-UHFFFAOYSA-N 0 0 184.626 1.307 10 0 ADAERN CN(C)c1nc(Cl)nc2c1CCC2 238289168 573141189 /nfs/dbraw/zinc/14/11/89/573141189.db2.gz DYEAVGOVELSRKU-UHFFFAOYSA-N 0 0 197.669 1.685 10 0 ADAERN CCN(C)c1nc(Cl)ncc1C 85786938 573141193 /nfs/dbraw/zinc/14/11/93/573141193.db2.gz LZMOUCAAEYTSGN-UHFFFAOYSA-N 0 0 185.658 1.895 10 0 ADAERN CC[C@H]1CCC(O)=C1C(C)=O 238289622 573141730 /nfs/dbraw/zinc/14/17/30/573141730.db2.gz OERUJSUFRIFEOP-CBAPKCEASA-N 0 0 154.209 1.581 10 0 ADAERN CCC(CC)Cn1nnc(N)c1C 128914265 573141219 /nfs/dbraw/zinc/14/12/19/573141219.db2.gz KUDMUBZSGHKESU-UHFFFAOYSA-N 0 0 182.271 1.605 10 0 ADAERN C[C@](O)(CCO)c1ccccc1 114917386 573141229 /nfs/dbraw/zinc/14/12/29/573141229.db2.gz BQNJVHGCZBNKBG-JTQLQIEISA-N 0 0 166.220 1.277 10 0 ADAERN CCn1nccc1C1(O)CCC1 85754591 573141239 /nfs/dbraw/zinc/14/12/39/573141239.db2.gz RMHCBCALMITQDP-UHFFFAOYSA-N 0 0 166.224 1.275 10 0 ADAERN CC[C@@H]1C(=O)Oc2c(N)cccc21 238299260 573141251 /nfs/dbraw/zinc/14/12/51/573141251.db2.gz KHLFCEZWWXURBP-LURJTMIESA-N 0 0 177.203 1.681 10 0 ADAERN CC[C@H]1CCC[N@H+](C)[C@@H]1C(=O)[O-] 238299737 573141271 /nfs/dbraw/zinc/14/12/71/573141271.db2.gz MOYOHPYQPCBOFA-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)[C@H](F)c1ccc(O)cc1 258537446 573141278 /nfs/dbraw/zinc/14/12/78/573141278.db2.gz OASXVJJTVXYPKF-VIFPVBQESA-N 0 0 168.167 1.992 10 0 ADAERN c1cc(CNCc2cocn2)ccn1 308503733 573142509 /nfs/dbraw/zinc/14/25/09/573142509.db2.gz HTDDCUAYHIXXDW-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN CC(C)Cc1coc(CN)n1 258545727 573141294 /nfs/dbraw/zinc/14/12/94/573141294.db2.gz OYJXSGVUCOVIOT-UHFFFAOYSA-N 0 0 154.213 1.332 10 0 ADAERN CCc1nn(CC)c(N)c1C 238289312 573141306 /nfs/dbraw/zinc/14/13/06/573141306.db2.gz LRFLYKCSNAKOTI-UHFFFAOYSA-N 0 0 153.229 1.356 10 0 ADAERN Cc1ccnc(-c2noc(N)n2)c1 82643882 573141418 /nfs/dbraw/zinc/14/14/18/573141418.db2.gz AUSISVIYTPHDME-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCOC(=O)[C@]12CCC[C@@H]1C[C@@H](O)C2 238289178 573141352 /nfs/dbraw/zinc/14/13/52/573141352.db2.gz AMOZJBQSKFLIRS-KKZNHRDASA-N 0 0 198.262 1.491 10 0 ADAERN CCS[C@H]1CC[C@H](O)OC1 238291801 573151660 /nfs/dbraw/zinc/15/16/60/573151660.db2.gz TVJBBKDDERGQNO-NKWVEPMBSA-N 0 0 162.254 1.237 10 0 ADAERN CC[C@]1(O)CCCC[C@@H]1OC 114915686 573141380 /nfs/dbraw/zinc/14/13/80/573141380.db2.gz KNFJOMADFYDXJV-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@@H](O)c1cc(C)ccn1 82643512 573141399 /nfs/dbraw/zinc/14/13/99/573141399.db2.gz YQAHOJDAEXJREN-SECBINFHSA-N 0 0 151.209 1.833 10 0 ADAERN CCc1noc(-c2ncccc2O)n1 82644446 573141444 /nfs/dbraw/zinc/14/14/44/573141444.db2.gz OQIWPFNKYLTODJ-UHFFFAOYSA-N 0 0 191.190 1.400 10 0 ADAERN OCc1ncc(C2CCSCC2)o1 258235679 573141452 /nfs/dbraw/zinc/14/14/52/573141452.db2.gz ZWMSELVSQONSCC-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN Cn1ncc2c(O)ccc(F)c21 258548068 573141459 /nfs/dbraw/zinc/14/14/59/573141459.db2.gz PCWGIJKIKCFCBK-UHFFFAOYSA-N 0 0 166.155 1.418 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(C)nc1C 104662919 573142425 /nfs/dbraw/zinc/14/24/25/573142425.db2.gz GCNZDDWOBNDXIO-SNVBAGLBSA-N 0 0 178.235 1.287 10 0 ADAERN C[C@@H]1C[C@]1(CO)C(F)(F)F 258547899 573141483 /nfs/dbraw/zinc/14/14/83/573141483.db2.gz PBLXAIBEMWPZDS-RFZPGFLSSA-N 0 0 154.131 1.567 10 0 ADAERN CCC[C@H](C)[C@@H](NN)c1cnn(C)c1 128930903 573141523 /nfs/dbraw/zinc/14/15/23/573141523.db2.gz OXKQSOQNBNXFKY-WCBMZHEXSA-N 0 0 196.298 1.361 10 0 ADAERN Cc1ccnc(C(=O)c2cncnc2)c1 82643487 573141531 /nfs/dbraw/zinc/14/15/31/573141531.db2.gz RFUVELBLDXUTCK-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN C[C@@H]1c2ccc(O)cc2CC[C@H]1O 259337751 573141539 /nfs/dbraw/zinc/14/15/39/573141539.db2.gz OXOIHFJICIFWJY-RDDDGLTNSA-N 0 0 178.231 1.803 10 0 ADAERN Cc1ccnc([C@H](O)[C@@H]2CCOC2)c1 82643606 573141541 /nfs/dbraw/zinc/14/15/41/573141541.db2.gz ISINLPFNRIPUJE-MWLCHTKSSA-N 0 0 193.246 1.460 10 0 ADAERN Nc1ccc(C2CCSCC2)nn1 259337930 573141544 /nfs/dbraw/zinc/14/15/44/573141544.db2.gz DQDLYGRGMBIUFU-UHFFFAOYSA-N 0 0 195.291 1.669 10 0 ADAERN COC1(c2cccc(F)c2)COC1 258549608 573141551 /nfs/dbraw/zinc/14/15/51/573141551.db2.gz KOJUHEMEZKAZIE-UHFFFAOYSA-N 0 0 182.194 1.698 10 0 ADAERN C[C@@H](CC[NH3+])c1cccc(C(=O)[O-])c1 259341317 573141590 /nfs/dbraw/zinc/14/15/90/573141590.db2.gz FDUKSESJQRBDSO-QMMMGPOBSA-N 0 0 193.246 1.837 10 0 ADAERN C=C/C(C)=C/CC(=O)N1CCCO1 308276956 573141594 /nfs/dbraw/zinc/14/15/94/573141594.db2.gz WCGYXLPCXNCVSE-WEVVVXLNSA-N 0 0 181.235 1.673 10 0 ADAERN CCn1cc(CC2(O)CCC2)cn1 85754405 573141617 /nfs/dbraw/zinc/14/16/17/573141617.db2.gz XTEKCYUGMHJXOH-UHFFFAOYSA-N 0 0 180.251 1.361 10 0 ADAERN Nc1ccc2c(c1)[C@H](CO)CC2 258537450 573141650 /nfs/dbraw/zinc/14/16/50/573141650.db2.gz OAUHGUKHBFMADW-QMMMGPOBSA-N 0 0 163.220 1.291 10 0 ADAERN Cc1cc(C(=O)CN)c(C)s1 82633459 573141653 /nfs/dbraw/zinc/14/16/53/573141653.db2.gz SJROJUREPJXBGE-UHFFFAOYSA-N 0 0 169.249 1.506 10 0 ADAERN Nc1cc([C@@H]2CCCCO2)on1 258548448 573141663 /nfs/dbraw/zinc/14/16/63/573141663.db2.gz PEQPPJACJSEZDO-LURJTMIESA-N 0 0 168.196 1.498 10 0 ADAERN C[NH2+][C@@H](c1cnn[n-]1)[C@H](C)CC(C)C 308503862 573141666 /nfs/dbraw/zinc/14/16/66/573141666.db2.gz XWXAHUSPXOZNMG-PSASIEDQSA-N 0 0 196.298 1.747 10 0 ADAERN CCS[C@@H]1CC[C@@H](O)OC1 238289602 573141673 /nfs/dbraw/zinc/14/16/73/573141673.db2.gz TVJBBKDDERGQNO-RQJHMYQMSA-N 0 0 162.254 1.237 10 0 ADAERN CCOC(=O)C(=O)C(C)(C)Cl 238289095 573141688 /nfs/dbraw/zinc/14/16/88/573141688.db2.gz HUIUMATZPWOKOY-UHFFFAOYSA-N 0 0 178.615 1.136 10 0 ADAERN CCOC[C@@H]1COc2ccccc2N1 238289224 573141723 /nfs/dbraw/zinc/14/17/23/573141723.db2.gz VULFOJNGKURIBA-SECBINFHSA-N 0 0 193.246 1.896 10 0 ADAERN Nc1ncc(CC(F)(F)F)s1 114931610 573141740 /nfs/dbraw/zinc/14/17/40/573141740.db2.gz PJQGGIUMPBHBPB-UHFFFAOYSA-N 0 0 182.170 1.830 10 0 ADAERN Nc1cc(CC2(O)CCC2)ccn1 85754509 573141759 /nfs/dbraw/zinc/14/17/59/573141759.db2.gz DGCXGQIRMQKXLK-UHFFFAOYSA-N 0 0 178.235 1.121 10 0 ADAERN CC(=O)[C@H]1CCCN(CC(F)F)C1 82644591 573141786 /nfs/dbraw/zinc/14/17/86/573141786.db2.gz CWKGDQAUXOMJDZ-QMMMGPOBSA-N 0 0 191.221 1.553 10 0 ADAERN CC[C@@H]1OC(=O)N[C@H](C)[C@@H]1C 238289841 573141787 /nfs/dbraw/zinc/14/17/87/573141787.db2.gz VGJBRUFNMMUTQM-XVMARJQXSA-N 0 0 157.213 1.529 10 0 ADAERN OCc1nsc(Cl)c1Cl 114905817 573141788 /nfs/dbraw/zinc/14/17/88/573141788.db2.gz KJCSNXOBSSRNMM-UHFFFAOYSA-N 0 0 184.047 1.942 10 0 ADAERN CCCn1ncnc1[C@H](O)C1CCC1 308503398 573141806 /nfs/dbraw/zinc/14/18/06/573141806.db2.gz XRCPDHVPYPCDCG-SECBINFHSA-N 0 0 195.266 1.522 10 0 ADAERN CC[C@@H]1C=C([N+](=O)[O-])C=CN1O 238299781 573141836 /nfs/dbraw/zinc/14/18/36/573141836.db2.gz ABJDSEPJRJOTEK-ZCFIWIBFSA-N 0 0 170.168 1.144 10 0 ADAERN CCc1cn2ncc(C(=O)OC)c2[nH]1 238299516 573141848 /nfs/dbraw/zinc/14/18/48/573141848.db2.gz GBZSNJWNKBKNLM-UHFFFAOYSA-N 0 0 193.206 1.011 10 0 ADAERN CCCOc1cnn(C[C@@H](O)CC)c1 308507998 573141856 /nfs/dbraw/zinc/14/18/56/573141856.db2.gz QMGRNVUVSSIZJY-VIFPVBQESA-N 0 0 198.266 1.443 10 0 ADAERN CC(=O)[C@H](N)c1ccc(C)c(O)c1 104662825 573141859 /nfs/dbraw/zinc/14/18/59/573141859.db2.gz CVYZFIHOQNQDKE-JTQLQIEISA-N 0 0 179.219 1.289 10 0 ADAERN O=Cc1ccc(F)c2cnoc12 258548567 573141870 /nfs/dbraw/zinc/14/18/70/573141870.db2.gz PFSIZJRPMJNSJW-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN Cc1ccnc(-c2ncc(N)cn2)c1 82643447 573141877 /nfs/dbraw/zinc/14/18/77/573141877.db2.gz IZCRQDNOWLWFRM-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN C[C@@](O)(CCO)c1ccccc1 114917384 573141884 /nfs/dbraw/zinc/14/18/84/573141884.db2.gz BQNJVHGCZBNKBG-SNVBAGLBSA-N 0 0 166.220 1.277 10 0 ADAERN CCc1c(C(=O)OC)[nH]c(C)c1C 238289344 573141886 /nfs/dbraw/zinc/14/18/86/573141886.db2.gz YDSOILOWXQOQMW-UHFFFAOYSA-N 0 0 181.235 1.981 10 0 ADAERN C[C@H](O)[C@@H]([NH3+])c1ccc([S-])cc1 104664685 573141894 /nfs/dbraw/zinc/14/18/94/573141894.db2.gz UJTNOVQMJDFINX-IMTBSYHQSA-N 0 0 183.276 1.356 10 0 ADAERN CCc1c(F)ccc2c1[C@H]([NH3+])CO2 238299668 573141909 /nfs/dbraw/zinc/14/19/09/573141909.db2.gz OXBZTBOCHJJMHU-MRVPVSSYSA-N 0 0 181.210 1.780 10 0 ADAERN CC1=CN=C(OC(C)C)S1(=O)=O 257956866 573141915 /nfs/dbraw/zinc/14/19/15/573141915.db2.gz XWMNAIQWCKQNQY-UHFFFAOYSA-N 0 0 189.236 1.057 10 0 ADAERN COC[C@H]([NH3+])c1ccccc1[S-] 104665208 573142446 /nfs/dbraw/zinc/14/24/46/573142446.db2.gz ZRCHQNWILWXPEN-QMMMGPOBSA-N 0 0 183.276 1.622 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)ccc1N 104665400 573141944 /nfs/dbraw/zinc/14/19/44/573141944.db2.gz QKPGYRTYETZYGJ-SNVBAGLBSA-N 0 0 178.235 1.166 10 0 ADAERN COc1ccc(NCCSC)cn1 128838059 573141949 /nfs/dbraw/zinc/14/19/49/573141949.db2.gz PGYCTDHZVUIVHN-UHFFFAOYSA-N 0 0 198.291 1.865 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(C(=O)[O-])o1 104664891 573141966 /nfs/dbraw/zinc/14/19/66/573141966.db2.gz JTXKAXHLTJKCCD-RXMQYKEDSA-N 0 0 169.180 1.388 10 0 ADAERN C[N@@H+]1CC[C@H](C(C)(C)CC(=O)[O-])C1 259337962 573141985 /nfs/dbraw/zinc/14/19/85/573141985.db2.gz SJGGXFUXDKGTCO-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN CCc1cn2cc(C[NH3+])sc2n1 238299350 573141990 /nfs/dbraw/zinc/14/19/90/573141990.db2.gz RMIGBHHHNLMDAB-UHFFFAOYSA-N 0 0 181.264 1.417 10 0 ADAERN CC(=O)[C@@H]1CCCN(CC(F)F)C1 82644590 573142002 /nfs/dbraw/zinc/14/20/02/573142002.db2.gz CWKGDQAUXOMJDZ-MRVPVSSYSA-N 0 0 191.221 1.553 10 0 ADAERN CC(C)Nn1ncc2cccc(N)c21 89200811 573142007 /nfs/dbraw/zinc/14/20/07/573142007.db2.gz TVBVIZIFDXKLRV-UHFFFAOYSA-N 0 0 190.250 1.570 10 0 ADAERN CC(=O)[C@H](N)c1ccsc1 104664224 573142027 /nfs/dbraw/zinc/14/20/27/573142027.db2.gz KWHIFESZPFNYAR-ZETCQYMHSA-N 0 0 155.222 1.337 10 0 ADAERN Cc1cnc(Cl)nc1-n1cncn1 85788490 573142049 /nfs/dbraw/zinc/14/20/49/573142049.db2.gz AMDAFJSZVXJXIA-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN CCCN(OC)c1ccc(N)c(C)n1 308507803 573142050 /nfs/dbraw/zinc/14/20/50/573142050.db2.gz AOWRAKPXQNRYJN-UHFFFAOYSA-N 0 0 195.266 1.750 10 0 ADAERN OC1(c2cncc(F)c2)CCC1 85754493 573142065 /nfs/dbraw/zinc/14/20/65/573142065.db2.gz KTLQONGLGSZULL-UHFFFAOYSA-N 0 0 167.183 1.592 10 0 ADAERN CC[C@@H]1OC(=O)CC[C@H]1C(C)=O 238289464 573142077 /nfs/dbraw/zinc/14/20/77/573142077.db2.gz NYTXPAWHRNSQGC-YUMQZZPRSA-N 0 0 170.208 1.307 10 0 ADAERN Nc1ccnc2c(C3CC3)cnn12 259337918 573142079 /nfs/dbraw/zinc/14/20/79/573142079.db2.gz DQCVPPVGPOCVDI-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN CON(CC1CCCCC1)C(C)=O 308502637 573142086 /nfs/dbraw/zinc/14/20/86/573142086.db2.gz XRVGRGPUEQNORH-UHFFFAOYSA-N 0 0 185.267 1.977 10 0 ADAERN CC(C)[C@H]1C(=O)Nc2ccc(N)cc21 104663492 573142119 /nfs/dbraw/zinc/14/21/19/573142119.db2.gz SWZZTZUVTKTNFX-SNVBAGLBSA-N 0 0 190.246 1.961 10 0 ADAERN CC[C@H]([NH3+])c1ccc(C(=O)[O-])nc1 104664076 573142136 /nfs/dbraw/zinc/14/21/36/573142136.db2.gz FTAVPAGPMNVRDF-ZETCQYMHSA-N 0 0 180.207 1.190 10 0 ADAERN Cc1cnc(Cl)nc1-n1cccn1 85788487 573142153 /nfs/dbraw/zinc/14/21/53/573142153.db2.gz WUKBJTBWHQUCAO-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN C[C@@H](O)[C@@H]([NH3+])c1ccc([S-])cc1 104664687 573142166 /nfs/dbraw/zinc/14/21/66/573142166.db2.gz UJTNOVQMJDFINX-HZGVNTEJSA-N 0 0 183.276 1.356 10 0 ADAERN Cc1ccnc(N)c1C1(O)CCC1 85754345 573142178 /nfs/dbraw/zinc/14/21/78/573142178.db2.gz OQVALOHMUFYCLC-UHFFFAOYSA-N 0 0 178.235 1.344 10 0 ADAERN OC1([C@H]2Cc3ccccc3N2)CCC1 85754455 573142193 /nfs/dbraw/zinc/14/21/93/573142193.db2.gz DPMZFIQXDQCUAC-LLVKDONJSA-N 0 0 189.258 1.938 10 0 ADAERN CCN(C)c1nc(Cl)ncc1F 85755019 573142234 /nfs/dbraw/zinc/14/22/34/573142234.db2.gz BSYFBAMFYHFJFM-UHFFFAOYSA-N 0 0 189.621 1.725 10 0 ADAERN COC(=O)CC[N@@H+]1CCC[C@@H]2C[C@@H]21 308281346 573142239 /nfs/dbraw/zinc/14/22/39/573142239.db2.gz XYYIRNRLEHINGQ-BDAKNGLRSA-N 0 0 183.251 1.034 10 0 ADAERN CC(C)(C)C(=O)[C@@H](O)C1CCC1 259344503 573142241 /nfs/dbraw/zinc/14/22/41/573142241.db2.gz ZFZNBPCBPVDEAH-QMMMGPOBSA-N 0 0 170.252 1.763 10 0 ADAERN CCOC(=O)C(NC=O)=C1CCCC1 238299447 573142257 /nfs/dbraw/zinc/14/22/57/573142257.db2.gz VNMIIJSUEQDUEH-UHFFFAOYSA-N 0 0 197.234 1.124 10 0 ADAERN Cc1cc([C@H]([NH3+])C(=O)[O-])cs1 104664491 573142261 /nfs/dbraw/zinc/14/22/61/573142261.db2.gz NCGZEMQUQOIWNT-LURJTMIESA-N 0 0 171.221 1.141 10 0 ADAERN O=Cc1ccc(Cn2ccnn2)cc1 114903458 573142274 /nfs/dbraw/zinc/14/22/74/573142274.db2.gz YOWJVCNDVZLIQY-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN CCc1nnc(C(C)C)cc1C[NH3+] 238289574 573142291 /nfs/dbraw/zinc/14/22/91/573142291.db2.gz JXARCUPIEDVSOV-UHFFFAOYSA-N 0 0 179.267 1.621 10 0 ADAERN CC(C)(C)C(=O)C1(CO)CC1 259344803 573142293 /nfs/dbraw/zinc/14/22/93/573142293.db2.gz ZITXHVYBHYQWCR-UHFFFAOYSA-N 0 0 156.225 1.374 10 0 ADAERN CCC(C)(C)[C@H](NN)c1cnn(C)c1 128952691 573142351 /nfs/dbraw/zinc/14/23/51/573142351.db2.gz SCIMPSJNFNGGLA-SECBINFHSA-N 0 0 196.298 1.361 10 0 ADAERN CCOC(=O)c1c(C)[nH]c2c1CCC2 238289623 573142367 /nfs/dbraw/zinc/14/23/67/573142367.db2.gz KCTPHZYSTOJTPI-UHFFFAOYSA-N 0 0 193.246 1.989 10 0 ADAERN C[C@H]1C[C@]1(CO)C(F)(F)F 258547890 573142467 /nfs/dbraw/zinc/14/24/67/573142467.db2.gz PBLXAIBEMWPZDS-CRCLSJGQSA-N 0 0 154.131 1.567 10 0 ADAERN CC[C@](C)(O)/C=C/[C@H](C)O 238289169 573142469 /nfs/dbraw/zinc/14/24/69/573142469.db2.gz PXOWREYYJJETRU-JBGJSGBSSA-N 0 0 144.214 1.084 10 0 ADAERN CCOC(=O)Nc1cccc(=O)[nH]1 238289272 573142411 /nfs/dbraw/zinc/14/24/11/573142411.db2.gz UTDVZAQPTYGTLT-UHFFFAOYSA-N 0 0 182.179 1.356 10 0 ADAERN NNSc1ccc(Cl)s1 259342148 573142412 /nfs/dbraw/zinc/14/24/12/573142412.db2.gz XZPQGKAOHGKHKU-UHFFFAOYSA-N 0 0 180.685 1.872 10 0 ADAERN CC[C@H](C)[C@@H]1C(=O)NN=C1C 238299780 573142478 /nfs/dbraw/zinc/14/24/78/573142478.db2.gz DBJCQMJEYDPJEC-FSPLSTOPSA-N 0 0 154.213 1.154 10 0 ADAERN CCCn1nncc1CCC(=O)CC 128833136 573142487 /nfs/dbraw/zinc/14/24/87/573142487.db2.gz VHMYBHUFMLCMFA-UHFFFAOYSA-N 0 0 195.266 1.600 10 0 ADAERN CC[C@@H](CO)c1nc(C)c(C)[nH]1 258549700 573142491 /nfs/dbraw/zinc/14/24/91/573142491.db2.gz KTCGJENLNCIEER-QMMMGPOBSA-N 0 0 168.240 1.512 10 0 ADAERN CCCCC[C@H](COC)NN 168105180 573142496 /nfs/dbraw/zinc/14/24/96/573142496.db2.gz UVEXRMLYFDHKHS-MRVPVSSYSA-N 0 0 160.261 1.045 10 0 ADAERN Cc1ccc(O)c(F)c1C=O 258548122 573142550 /nfs/dbraw/zinc/14/25/50/573142550.db2.gz PDIIDPRZPZNLOY-UHFFFAOYSA-N 0 0 154.140 1.652 10 0 ADAERN COCc1cccc2c(=O)[nH]ccc12 123712155 573142551 /nfs/dbraw/zinc/14/25/51/573142551.db2.gz FFUQKUQOHFTHKE-UHFFFAOYSA-N 0 0 189.214 1.675 10 0 ADAERN O=c1ccc(Cl)nn1C1CC1 114926672 573142552 /nfs/dbraw/zinc/14/25/52/573142552.db2.gz LVPPOXCLOHLCIR-UHFFFAOYSA-N 0 0 170.599 1.232 10 0 ADAERN Cc1c(N)ccc2cnn(C)c12 259340689 573142533 /nfs/dbraw/zinc/14/25/33/573142533.db2.gz HFLVJSQXPLJLOW-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN CCc1ccc2c(c1O)CCC(=O)O2 238289656 573142593 /nfs/dbraw/zinc/14/25/93/573142593.db2.gz REKJHWIEAZMVKQ-UHFFFAOYSA-N 0 0 192.214 1.806 10 0 ADAERN COC(=O)C[C@@H]1CCc2cn(C)nc21 259602332 573142611 /nfs/dbraw/zinc/14/26/11/573142611.db2.gz CYYUXWQNCYAQOM-ZETCQYMHSA-N 0 0 194.234 1.013 10 0 ADAERN c1n[nH]cc1NCCCOCC1CC1 308503754 573142617 /nfs/dbraw/zinc/14/26/17/573142617.db2.gz HTXWBIRAASRACW-UHFFFAOYSA-N 0 0 195.266 1.638 10 0 ADAERN CC[C@H]1CCC(O)=C1C(C)=O 238289534 573142624 /nfs/dbraw/zinc/14/26/24/573142624.db2.gz OERUJSUFRIFEOP-IONNQARKSA-N 0 0 154.209 1.581 10 0 ADAERN COc1c(CO)ccc2occc12 114912842 573142641 /nfs/dbraw/zinc/14/26/41/573142641.db2.gz GCWKHLSEAZLLCI-UHFFFAOYSA-N 0 0 178.187 1.934 10 0 ADAERN Cc1nc(CC2(O)CCC2)cs1 85754448 573142644 /nfs/dbraw/zinc/14/26/44/573142644.db2.gz FHVXVDMMYZHPEQ-UHFFFAOYSA-N 0 0 183.276 1.909 10 0 ADAERN CCNn1ncc2cccc(N)c21 89200807 573142679 /nfs/dbraw/zinc/14/26/79/573142679.db2.gz VDVDLLWNDMEOCL-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CCC[C@H](O)CCc1c(C)cnn1C 308502762 573142680 /nfs/dbraw/zinc/14/26/80/573142680.db2.gz XHYJCKVFUCCDQL-JTQLQIEISA-N 0 0 196.294 1.822 10 0 ADAERN CC(C)C1(Br)COC1 258547325 573142690 /nfs/dbraw/zinc/14/26/90/573142690.db2.gz KJNAJPGVOHPSIS-UHFFFAOYSA-N 0 0 179.057 1.806 10 0 ADAERN CCC[C@H](C)[C@H](NN)c1cnn(C)c1 128930414 573142713 /nfs/dbraw/zinc/14/27/13/573142713.db2.gz OXKQSOQNBNXFKY-WPRPVWTQSA-N 0 0 196.298 1.361 10 0 ADAERN CCC[C@@H](O)CCc1c(C)cnn1C 308502764 573142762 /nfs/dbraw/zinc/14/27/62/573142762.db2.gz XHYJCKVFUCCDQL-SNVBAGLBSA-N 0 0 196.294 1.822 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+]C1CC(C2CC2)C1 714639176 573142782 /nfs/dbraw/zinc/14/27/82/573142782.db2.gz AITQMPLEUCYWCY-WFRXLMHJSA-N 0 0 197.278 1.628 10 0 ADAERN OC[C@@H](F)C[C@@H]1CCSC1 258550137 573142787 /nfs/dbraw/zinc/14/27/87/573142787.db2.gz PGLNYIBHBQAGSI-BQBZGAKWSA-N 0 0 164.245 1.460 10 0 ADAERN CC(=O)[C@H](N)c1ccnc(Cl)c1 104665440 573142816 /nfs/dbraw/zinc/14/28/16/573142816.db2.gz NZGKXTCJTSMTSI-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN CCCn1ncnc1[C@@H](O)C1CCC1 308503400 573142861 /nfs/dbraw/zinc/14/28/61/573142861.db2.gz XRCPDHVPYPCDCG-VIFPVBQESA-N 0 0 195.266 1.522 10 0 ADAERN CC[C@@H](C)c1nc(C)nc(N)n1 82664085 573142921 /nfs/dbraw/zinc/14/29/21/573142921.db2.gz GQWRWRPIPSNFKP-RXMQYKEDSA-N 0 0 166.228 1.276 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H]2[C@@H](C=NN2C)C1 257733663 573142922 /nfs/dbraw/zinc/14/29/22/573142922.db2.gz VOMJCXAHEGQQAH-OPRDCNLKSA-N 0 0 180.251 1.292 10 0 ADAERN CC(F)(F)CCC1(O)CC1 642828472 573142954 /nfs/dbraw/zinc/14/29/54/573142954.db2.gz YVJVILORLWPZGN-UHFFFAOYSA-N 0 0 150.168 1.947 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(C)c(O)c1 104662821 573142969 /nfs/dbraw/zinc/14/29/69/573142969.db2.gz CVYZFIHOQNQDKE-SNVBAGLBSA-N 0 0 179.219 1.289 10 0 ADAERN C[C@@H]1CCC[C@@H](c2ncnc(N)n2)C1 82664371 573142981 /nfs/dbraw/zinc/14/29/81/573142981.db2.gz JLEYUHBRAQNLNM-HTQZYQBOSA-N 0 0 192.266 1.748 10 0 ADAERN Cc1ccc([C@@H]2NC(C)(C)CO2)o1 258546627 573142997 /nfs/dbraw/zinc/14/29/97/573142997.db2.gz OJCXILMONCWNCE-SECBINFHSA-N 0 0 181.235 1.985 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1ncc(N)cn1 82648171 573143001 /nfs/dbraw/zinc/14/30/01/573143001.db2.gz XRONOGGALGZOPH-SFYZADRCSA-N 0 0 192.266 1.151 10 0 ADAERN CCC[C@H]1C=C(C(=O)[O-])CC[NH2+]1 258548383 573143016 /nfs/dbraw/zinc/14/30/16/573143016.db2.gz PEKMGECFNFYIOB-QMMMGPOBSA-N 0 0 169.224 1.159 10 0 ADAERN OCc1n[nH]nc1-c1ccccc1F 258547197 573143030 /nfs/dbraw/zinc/14/30/30/573143030.db2.gz HVQACWQWGDDPHE-UHFFFAOYSA-N 0 0 193.181 1.103 10 0 ADAERN CC(=O)[C@H](N)c1ccncc1Cl 104665448 573143039 /nfs/dbraw/zinc/14/30/39/573143039.db2.gz OGMQTRLXOJKQFP-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN CC(C)(CO)c1ccccc1CON 259346559 573143050 /nfs/dbraw/zinc/14/30/50/573143050.db2.gz GCVPBHQUGKCCLB-UHFFFAOYSA-N 0 0 195.262 1.347 10 0 ADAERN CN(C/C=C\Cl)Cc1cnccn1 308503591 573143069 /nfs/dbraw/zinc/14/30/69/573143069.db2.gz YDMXTRRIACEMHP-IHWYPQMZSA-N 0 0 197.669 1.661 10 0 ADAERN CCOC(=O)c1cc2n[nH]cc2s1 238291221 573143094 /nfs/dbraw/zinc/14/30/94/573143094.db2.gz SMYCVMKQCGXCSN-UHFFFAOYSA-N 0 0 196.231 1.801 10 0 ADAERN C[N@@H+]1CCC[C@H]1c1ccc(CO)nc1 114939985 573143107 /nfs/dbraw/zinc/14/31/07/573143107.db2.gz HJDCNAJYPGRVAD-NSHDSACASA-N 0 0 192.262 1.341 10 0 ADAERN C[C@H](CC(F)F)C[C@@H]([NH3+])C(=O)[O-] 688729032 573143112 /nfs/dbraw/zinc/14/31/12/573143112.db2.gz RXCWNOKVRPHJQB-CRCLSJGQSA-N 0 0 181.182 1.080 10 0 ADAERN Cn1nc([C@H]2CCCOC2)cc1C=O 259342772 573143132 /nfs/dbraw/zinc/14/31/32/573143132.db2.gz TXCATKONGRGLGL-QMMMGPOBSA-N 0 0 194.234 1.127 10 0 ADAERN CC(=O)[C@@H](F)c1ccc(O)cc1 258537444 573143152 /nfs/dbraw/zinc/14/31/52/573143152.db2.gz OASXVJJTVXYPKF-SECBINFHSA-N 0 0 168.167 1.992 10 0 ADAERN OC[C@@H](F)Cc1cccc(O)c1 258537691 573145023 /nfs/dbraw/zinc/14/50/23/573145023.db2.gz OEQLLYFSRMZCFK-QMMMGPOBSA-N 0 0 170.183 1.265 10 0 ADAERN CC(C)CCc1ncnc(N)n1 82664460 573143242 /nfs/dbraw/zinc/14/32/42/573143242.db2.gz YAASLAFKJOTZQO-UHFFFAOYSA-N 0 0 166.228 1.042 10 0 ADAERN Nc1ncnc(Cc2ccccc2)n1 82664304 573143275 /nfs/dbraw/zinc/14/32/75/573143275.db2.gz NDDQQSXPPDAQDR-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Cn1ncc(C(=O)CCC(C)(C)C)n1 308502712 573143280 /nfs/dbraw/zinc/14/32/80/573143280.db2.gz XGBKDLUNIRIZIA-UHFFFAOYSA-N 0 0 195.266 1.824 10 0 ADAERN Cc1cc(F)ccc1-n1ncnc1N 82651035 573143283 /nfs/dbraw/zinc/14/32/83/573143283.db2.gz FHYFYWVAJNUBSL-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN NC(=O)C1(C2CCCCC2)COC1 258549704 573143305 /nfs/dbraw/zinc/14/33/05/573143305.db2.gz KTKPEKCOUHJUKU-UHFFFAOYSA-N 0 0 183.251 1.069 10 0 ADAERN CC[C@@]1(C)OC(=N)C2=C1NCCS2 238291076 573143334 /nfs/dbraw/zinc/14/33/34/573143334.db2.gz WPTRWGDKDPJODY-SECBINFHSA-N 0 0 198.291 1.501 10 0 ADAERN CNOC/C=C/C1CCCC1 258550594 573143339 /nfs/dbraw/zinc/14/33/39/573143339.db2.gz JEDRXYZZNBEHMN-QPJJXVBHSA-N 0 0 155.241 1.884 10 0 ADAERN Nc1nc2ncc(Cl)cc2o1 258548206 573143347 /nfs/dbraw/zinc/14/33/47/573143347.db2.gz PEDQBGCJVPARLN-UHFFFAOYSA-N 0 0 169.571 1.458 10 0 ADAERN CCOC(=O)Nc1ncc(C)o1 238289980 573143357 /nfs/dbraw/zinc/14/33/57/573143357.db2.gz XSFVXQDMHVLZNT-UHFFFAOYSA-N 0 0 170.168 1.551 10 0 ADAERN O=c1ccc([C@@H]2CCCSC2)n[nH]1 259346479 573143359 /nfs/dbraw/zinc/14/33/59/573143359.db2.gz GBLXHCFOPPZXRQ-SSDOTTSWSA-N 0 0 196.275 1.793 10 0 ADAERN CCCn1cc(C2(O)CCC2)cn1 85754450 573143369 /nfs/dbraw/zinc/14/33/69/573143369.db2.gz DGEGJLYKWQIPPL-UHFFFAOYSA-N 0 0 180.251 1.665 10 0 ADAERN COC(=O)Cc1cccc2nccn12 89201208 573143373 /nfs/dbraw/zinc/14/33/73/573143373.db2.gz GTHFRBPECMMCRY-UHFFFAOYSA-N 0 0 190.202 1.050 10 0 ADAERN CON(C)C(=O)/C=C/c1cscn1 308502643 573143427 /nfs/dbraw/zinc/14/34/27/573143427.db2.gz XSDURBKJNDJHRD-ONEGZZNKSA-N 0 0 198.247 1.176 10 0 ADAERN Cc1nc(C(N)=S)c2n1CCCC2 258549486 573143438 /nfs/dbraw/zinc/14/34/38/573143438.db2.gz HXUDMSGQXVEVLU-UHFFFAOYSA-N 0 0 195.291 1.162 10 0 ADAERN CCCc1nc2c(c(=O)[nH]1)CCCN2 82664016 573143475 /nfs/dbraw/zinc/14/34/75/573143475.db2.gz BYCJTPJCVBGIQU-UHFFFAOYSA-N 0 0 193.250 1.081 10 0 ADAERN CCc1ccncc1[C@@H](N)C(C)=O 104662878 573143483 /nfs/dbraw/zinc/14/34/83/573143483.db2.gz KVAXCXSCCDJDTM-JTQLQIEISA-N 0 0 178.235 1.233 10 0 ADAERN CCc1nnc(NN=O)s1 238290394 573143515 /nfs/dbraw/zinc/14/35/15/573143515.db2.gz WCRMUPAXJDWAPN-UHFFFAOYSA-N 0 0 158.186 1.194 10 0 ADAERN CC(=O)c1cccc(CC2(O)CC2)c1 259343131 573143541 /nfs/dbraw/zinc/14/35/41/573143541.db2.gz FWVVUJICRNZDJJ-UHFFFAOYSA-N 0 0 190.242 1.957 10 0 ADAERN CCc1nnc([C@@H](N)C(C)(C)C)o1 238291064 573143545 /nfs/dbraw/zinc/14/35/45/573143545.db2.gz WLVITPWHVYQAOX-SSDOTTSWSA-N 0 0 183.255 1.678 10 0 ADAERN Cc1ccc(NC[C@@H]2CCOC2)nc1 38094767 573143549 /nfs/dbraw/zinc/14/35/49/573143549.db2.gz GBFODBNLEBWVFB-JTQLQIEISA-N 0 0 192.262 1.838 10 0 ADAERN OC1(CC[C@H]2CCCO2)CCC1 85754662 573143714 /nfs/dbraw/zinc/14/37/14/573143714.db2.gz ZPSKZJDQMGFEGU-SECBINFHSA-N 0 0 170.252 1.861 10 0 ADAERN OC1(CC[C@@H]2CCCO2)CCC1 85754664 573143569 /nfs/dbraw/zinc/14/35/69/573143569.db2.gz ZPSKZJDQMGFEGU-VIFPVBQESA-N 0 0 170.252 1.861 10 0 ADAERN O=CC1=NO[C@@H](C2CCCC2)C1 258545851 573143578 /nfs/dbraw/zinc/14/35/78/573143578.db2.gz PACIGKVGYPZJMX-SECBINFHSA-N 0 0 167.208 1.520 10 0 ADAERN C[C@@H]1CCC[C@H](c2ncnc(N)n2)C1 82664364 573143602 /nfs/dbraw/zinc/14/36/02/573143602.db2.gz JLEYUHBRAQNLNM-SFYZADRCSA-N 0 0 192.266 1.748 10 0 ADAERN Nc1ccc2c(c1)[C@@H](CO)CC2 258537448 573143608 /nfs/dbraw/zinc/14/36/08/573143608.db2.gz OAUHGUKHBFMADW-MRVPVSSYSA-N 0 0 163.220 1.291 10 0 ADAERN CC[C@@H]([NH3+])c1ccnc(C(=O)[O-])c1 104663759 573143673 /nfs/dbraw/zinc/14/36/73/573143673.db2.gz CJXDDLWBUPAENG-SSDOTTSWSA-N 0 0 180.207 1.190 10 0 ADAERN OC[C@H](F)Cc1cccc(O)c1 258537687 573143697 /nfs/dbraw/zinc/14/36/97/573143697.db2.gz OEQLLYFSRMZCFK-MRVPVSSYSA-N 0 0 170.183 1.265 10 0 ADAERN COCc1ccc2ccnc(N)c2c1 123720640 573143706 /nfs/dbraw/zinc/14/37/06/573143706.db2.gz RFQAFNUXACVUJR-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN NOCc1cc(F)cc(F)c1F 259346551 573143712 /nfs/dbraw/zinc/14/37/12/573143712.db2.gz GCTHLTCGUBXSGJ-UHFFFAOYSA-N 0 0 177.125 1.494 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1ncc(N)cn1 82648170 573143795 /nfs/dbraw/zinc/14/37/95/573143795.db2.gz XRONOGGALGZOPH-JGVFFNPUSA-N 0 0 192.266 1.151 10 0 ADAERN CN(C)c1ncc(OC2CCC2)cn1 238290795 573143809 /nfs/dbraw/zinc/14/38/09/573143809.db2.gz UQXIQMHSUUHBJX-UHFFFAOYSA-N 0 0 193.250 1.474 10 0 ADAERN CCOC(=O)c1cc2[nH][nH]cc-2n1 238291201 573143819 /nfs/dbraw/zinc/14/38/19/573143819.db2.gz RWJSKVCDPAOKOU-UHFFFAOYSA-N 0 0 179.179 1.068 10 0 ADAERN C[NH2+][C@H](c1cnn[n-]1)[C@H](C)CC(C)C 308503863 573143831 /nfs/dbraw/zinc/14/38/31/573143831.db2.gz XWXAHUSPXOZNMG-SCZZXKLOSA-N 0 0 196.298 1.747 10 0 ADAERN Cc1ccc(NC[C@H]2CCOC2)nc1 38094768 573143844 /nfs/dbraw/zinc/14/38/44/573143844.db2.gz GBFODBNLEBWVFB-SNVBAGLBSA-N 0 0 192.262 1.838 10 0 ADAERN OC[C@@H](c1ccco1)C1COC1 258548212 573143846 /nfs/dbraw/zinc/14/38/46/573143846.db2.gz IVSFXNKGHMQFAS-MRVPVSSYSA-N 0 0 168.192 1.002 10 0 ADAERN CCn1c(C=O)nc2ncccc21 238290274 573143865 /nfs/dbraw/zinc/14/38/65/573143865.db2.gz LSOQAPGKSVNIDI-UHFFFAOYSA-N 0 0 175.191 1.264 10 0 ADAERN C=CC(=O)N(C)C[C@@H]1C[C@H]1C 82648791 573143868 /nfs/dbraw/zinc/14/38/68/573143868.db2.gz NSVTYABIWDCNME-SFYZADRCSA-N 0 0 153.225 1.287 10 0 ADAERN CCOC(=O)Nc1ocnc1C 238290229 573143876 /nfs/dbraw/zinc/14/38/76/573143876.db2.gz BMKUDQNGTJOKTJ-UHFFFAOYSA-N 0 0 170.168 1.551 10 0 ADAERN CCCOC[C@H](O)c1cn(CC)cn1 308507878 573143887 /nfs/dbraw/zinc/14/38/87/573143887.db2.gz APYBQTIZZJERSL-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN Cc1oc(N)nc1Cc1ccco1 258550379 573143898 /nfs/dbraw/zinc/14/38/98/573143898.db2.gz JBDBXOXORKZNQD-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN CSC1CC(CO)C1 259346292 573143905 /nfs/dbraw/zinc/14/39/05/573143905.db2.gz PHOMPPLZGQJWLW-UHFFFAOYSA-N 0 0 132.228 1.120 10 0 ADAERN CC[C@@H]1ON=C(C(C)=O)[C@H]1C 238291118 573143935 /nfs/dbraw/zinc/14/39/35/573143935.db2.gz LTNYWPLHTCVPLA-FSPLSTOPSA-N 0 0 155.197 1.376 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+]C1CC(C2CC2)C1 714639175 573143938 /nfs/dbraw/zinc/14/39/38/573143938.db2.gz AITQMPLEUCYWCY-CUUXFQNZSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@@H](O)[C@H]([NH3+])c1ccc([S-])cc1 104664681 573143953 /nfs/dbraw/zinc/14/39/53/573143953.db2.gz UJTNOVQMJDFINX-MUWHJKNJSA-N 0 0 183.276 1.356 10 0 ADAERN CC(C)n1ccc(CC2(O)CCC2)n1 85754511 573143973 /nfs/dbraw/zinc/14/39/73/573143973.db2.gz ZWNAXAKAMYFLFQ-UHFFFAOYSA-N 0 0 194.278 1.922 10 0 ADAERN C[C@H]1CCCc2nc(CCCO)nn21 258537309 573143975 /nfs/dbraw/zinc/14/39/75/573143975.db2.gz SMKQMOUWJNIEJT-QMMMGPOBSA-N 0 0 195.266 1.100 10 0 ADAERN CCc1ccncc1[C@H](N)C(C)=O 104662873 573144000 /nfs/dbraw/zinc/14/40/00/573144000.db2.gz KVAXCXSCCDJDTM-SNVBAGLBSA-N 0 0 178.235 1.233 10 0 ADAERN O=NN1CCC(F)(F)CC1 114949272 573144024 /nfs/dbraw/zinc/14/40/24/573144024.db2.gz FFEFLYLLIDMFKU-UHFFFAOYSA-N 0 0 150.128 1.399 10 0 ADAERN CCCOC[C@@H](O)c1cn(CC)cn1 308507880 573145223 /nfs/dbraw/zinc/14/52/23/573145223.db2.gz APYBQTIZZJERSL-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN Nc1ncnc(Cc2cccs2)n1 82664381 573144092 /nfs/dbraw/zinc/14/40/92/573144092.db2.gz UMKWYZDJTPXXJJ-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN CCOC(=O)c1cc2[nH][nH]c(C)c-2n1 238291167 573144036 /nfs/dbraw/zinc/14/40/36/573144036.db2.gz UAYYVOIASBHIOA-UHFFFAOYSA-N 0 0 193.206 1.376 10 0 ADAERN Fc1cnc2ncccc2c1 114951132 573144059 /nfs/dbraw/zinc/14/40/59/573144059.db2.gz QILHGSSOWXKYFZ-UHFFFAOYSA-N 0 0 148.140 1.769 10 0 ADAERN Cc1ccc([C@H]2NC(C)(C)CO2)o1 258546654 573144067 /nfs/dbraw/zinc/14/40/67/573144067.db2.gz OJCXILMONCWNCE-VIFPVBQESA-N 0 0 181.235 1.985 10 0 ADAERN CC(=O)[C@H](N)c1cccc(F)c1C 104665383 573144100 /nfs/dbraw/zinc/14/41/00/573144100.db2.gz NLVMZHFJVQFHHE-JTQLQIEISA-N 0 0 181.210 1.723 10 0 ADAERN CC(C)n1ncnc1CC1(O)CCC1 85754422 573144124 /nfs/dbraw/zinc/14/41/24/573144124.db2.gz SJGHOQIHSFOWAP-UHFFFAOYSA-N 0 0 195.266 1.317 10 0 ADAERN C[C@@H]1Oc2cccc(O)c2O1 197005758 573144130 /nfs/dbraw/zinc/14/41/30/573144130.db2.gz URGAUEQFLHBPLT-RXMQYKEDSA-N 0 0 152.149 1.509 10 0 ADAERN C[C@@]([NH3+])(CO)c1ccc([S-])cc1 104664692 573144137 /nfs/dbraw/zinc/14/41/37/573144137.db2.gz IDWAQTIKCCGSQF-SECBINFHSA-N 0 0 183.276 1.142 10 0 ADAERN CCc1c(C)cc(CO)nc1C 238290503 573144150 /nfs/dbraw/zinc/14/41/50/573144150.db2.gz DUWDQQGPABVELE-UHFFFAOYSA-N 0 0 165.236 1.753 10 0 ADAERN CC[C@H](CC(C)=O)C(C)=O 114976638 573144151 /nfs/dbraw/zinc/14/41/51/573144151.db2.gz PYXFYLDTQFWCCK-MRVPVSSYSA-N 0 0 142.198 1.581 10 0 ADAERN C[C@@H]1CNc2cc(N)ccc2NC1=O 259342683 573144171 /nfs/dbraw/zinc/14/41/71/573144171.db2.gz TVVIUENFAYYTQB-ZCFIWIBFSA-N 0 0 191.234 1.269 10 0 ADAERN CCCc1nc([C@@H](O)C2CC2)no1 308502641 573144173 /nfs/dbraw/zinc/14/41/73/573144173.db2.gz XSDIORYZYGVBKH-QMMMGPOBSA-N 0 0 182.223 1.466 10 0 ADAERN CC(=O)[C@@H](N)c1ccnc(Cl)c1 104665443 573144185 /nfs/dbraw/zinc/14/41/85/573144185.db2.gz NZGKXTCJTSMTSI-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN CCNn1ncc2ccc(N)cc21 89197768 573144186 /nfs/dbraw/zinc/14/41/86/573144186.db2.gz ACHGDMCPVAIQJE-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1ccc(N)cn1 82648112 573144198 /nfs/dbraw/zinc/14/41/98/573144198.db2.gz ZAQBLGORGTWVDP-DTWKUNHWSA-N 0 0 191.278 1.756 10 0 ADAERN C[C@]([NH3+])(CO)c1ccc([S-])cc1 104664695 573144216 /nfs/dbraw/zinc/14/42/16/573144216.db2.gz IDWAQTIKCCGSQF-VIFPVBQESA-N 0 0 183.276 1.142 10 0 ADAERN C[C@H]1CNc2c(CO)cccc2O1 259342745 573144220 /nfs/dbraw/zinc/14/42/20/573144220.db2.gz TWTWLUZMDYIAIP-ZETCQYMHSA-N 0 0 179.219 1.372 10 0 ADAERN CCc1nc(N)nc(-c2ccco2)n1 82664565 573144233 /nfs/dbraw/zinc/14/42/33/573144233.db2.gz LUJOTVWVRACPCC-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN C[C@@H]1CCCc2nc(CCCO)nn21 258537307 573144253 /nfs/dbraw/zinc/14/42/53/573144253.db2.gz SMKQMOUWJNIEJT-MRVPVSSYSA-N 0 0 195.266 1.100 10 0 ADAERN OCC(F)(F)C[C@@H]1CCCO1 258537503 573144265 /nfs/dbraw/zinc/14/42/65/573144265.db2.gz OCDOTCQWQSJUAS-LURJTMIESA-N 0 0 166.167 1.183 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1ncc(N)cn1 82648172 573144371 /nfs/dbraw/zinc/14/43/71/573144371.db2.gz XRONOGGALGZOPH-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN CC(=O)[C@H]([NH3+])c1ccc([S-])cc1 104665407 573144291 /nfs/dbraw/zinc/14/42/91/573144291.db2.gz OIBSFVDONPOZAL-VIFPVBQESA-N 0 0 181.260 1.564 10 0 ADAERN CC(=O)[C@H](C)Cc1cncc(F)c1 235493533 573144294 /nfs/dbraw/zinc/14/42/94/573144294.db2.gz WDOCLYIYPHYNJW-SSDOTTSWSA-N 0 0 181.210 1.988 10 0 ADAERN Nc1ncnc(C2CCCC2)n1 82664250 573144302 /nfs/dbraw/zinc/14/43/02/573144302.db2.gz DWFIVJQUHURELU-UHFFFAOYSA-N 0 0 164.212 1.111 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1ncccc1N 82648182 573144309 /nfs/dbraw/zinc/14/43/09/573144309.db2.gz QNUAZFXHHFDEJK-DTWKUNHWSA-N 0 0 191.278 1.756 10 0 ADAERN CCc1ccc2c(c1)C[NH2+][C@@H]2C(=O)[O-] 238290418 573144310 /nfs/dbraw/zinc/14/43/10/573144310.db2.gz TVHNSIOXOGREIL-JTQLQIEISA-N 0 0 191.230 1.478 10 0 ADAERN CC(=O)[C@@H](N)c1cccc(F)c1C 104665380 573144318 /nfs/dbraw/zinc/14/43/18/573144318.db2.gz NLVMZHFJVQFHHE-SNVBAGLBSA-N 0 0 181.210 1.723 10 0 ADAERN CCS[C@H](C)NC(=O)OC 238290556 573144335 /nfs/dbraw/zinc/14/43/35/573144335.db2.gz ANNFFPWEUIDNOP-RXMQYKEDSA-N 0 0 163.242 1.442 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1ncccc1N 82648181 573144340 /nfs/dbraw/zinc/14/43/40/573144340.db2.gz QNUAZFXHHFDEJK-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN Nc1ncccc1C1(O)CCC1 85754513 573144396 /nfs/dbraw/zinc/14/43/96/573144396.db2.gz BGFHIXATEXGJND-UHFFFAOYSA-N 0 0 164.208 1.035 10 0 ADAERN Cc1ccccc1-c1ncnc(N)n1 82664306 573144398 /nfs/dbraw/zinc/14/43/98/573144398.db2.gz FIYYKGIEIDOOGG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(=O)Cc1cnc([C@@H]2CCCO2)o1 258235890 573144472 /nfs/dbraw/zinc/14/44/72/573144472.db2.gz VXXPZAMQQCDFFI-VIFPVBQESA-N 0 0 195.218 1.658 10 0 ADAERN CON(C)C(=O)c1cnc(C)s1 223910038 573144500 /nfs/dbraw/zinc/14/45/00/573144500.db2.gz BBWDMHIRPVVYPT-UHFFFAOYSA-N 0 0 186.236 1.085 10 0 ADAERN CC(=O)[C@H]1CCCCN1CC(F)F 82645075 573144521 /nfs/dbraw/zinc/14/45/21/573144521.db2.gz VRDJFJIPWXVCGZ-MRVPVSSYSA-N 0 0 191.221 1.695 10 0 ADAERN CC(=O)[C@H](N)c1ccc(Cl)cn1 104662856 573144525 /nfs/dbraw/zinc/14/45/25/573144525.db2.gz WXBKIUJODQVCJN-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN CNC(=O)Nc1ccc(N)c(Cl)c1 123720916 573144565 /nfs/dbraw/zinc/14/45/65/573144565.db2.gz DNHMFNBKYOTREV-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1ccc(N)nc1 82648212 573144576 /nfs/dbraw/zinc/14/45/76/573144576.db2.gz LPTGXSMHPDXESS-DTWKUNHWSA-N 0 0 191.278 1.756 10 0 ADAERN OC1([C@@H]2Cc3ccccc3N2)CCC1 85754457 573144597 /nfs/dbraw/zinc/14/45/97/573144597.db2.gz DPMZFIQXDQCUAC-NSHDSACASA-N 0 0 189.258 1.938 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(F)c(O)c1 104662834 573144598 /nfs/dbraw/zinc/14/45/98/573144598.db2.gz WDRPCDWLMKLWEE-SECBINFHSA-N 0 0 183.182 1.120 10 0 ADAERN O=C([O-])C[NH2+]CCCC(F)(F)F 123718264 573144599 /nfs/dbraw/zinc/14/45/99/573144599.db2.gz SXHLNGQBNRDDTC-UHFFFAOYSA-N 0 0 185.145 1.003 10 0 ADAERN CC(C)Cc1ncc([C@@H](C)CO)o1 258235813 573144626 /nfs/dbraw/zinc/14/46/26/573144626.db2.gz VWIKVTQECKPLFX-QMMMGPOBSA-N 0 0 183.251 1.969 10 0 ADAERN OC[C@H](F)C[C@H]1CCSC1 258550144 573144631 /nfs/dbraw/zinc/14/46/31/573144631.db2.gz PGLNYIBHBQAGSI-RNFRBKRXSA-N 0 0 164.245 1.460 10 0 ADAERN CCOC(=O)c1cc2[nH]ccc2[nH]1 238291127 573144655 /nfs/dbraw/zinc/14/46/55/573144655.db2.gz FFBPTQYYKDEFTQ-UHFFFAOYSA-N 0 0 178.191 1.673 10 0 ADAERN Nc1ncc(Cl)cc1C1(O)CCC1 85754420 573144664 /nfs/dbraw/zinc/14/46/64/573144664.db2.gz JIVQXNVWNKRHOT-UHFFFAOYSA-N 0 0 198.653 1.689 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(Cl)cn1 104662858 573144690 /nfs/dbraw/zinc/14/46/90/573144690.db2.gz WXBKIUJODQVCJN-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN OC[C@H](F)C[C@@H]1CCSC1 258550140 573144698 /nfs/dbraw/zinc/14/46/98/573144698.db2.gz PGLNYIBHBQAGSI-NKWVEPMBSA-N 0 0 164.245 1.460 10 0 ADAERN CNC(=O)c1ccc(NC)c(Cl)c1 114979036 573144709 /nfs/dbraw/zinc/14/47/09/573144709.db2.gz ZOKLTKJUMYEOOO-UHFFFAOYSA-N 0 0 198.653 1.741 10 0 ADAERN Cc1cccc(-c2ncnc(N)n2)c1 82664449 573144716 /nfs/dbraw/zinc/14/47/16/573144716.db2.gz PHDOIDYKNLVWHF-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccnn1C1CCOCC1 221201819 573144719 /nfs/dbraw/zinc/14/47/19/573144719.db2.gz BTPLKMQMAWLZNS-UHFFFAOYSA-N 0 0 166.224 1.543 10 0 ADAERN CCC(C)(C)[C@@H](NN)c1cnn(C)c1 128952928 573144752 /nfs/dbraw/zinc/14/47/52/573144752.db2.gz SCIMPSJNFNGGLA-VIFPVBQESA-N 0 0 196.298 1.361 10 0 ADAERN CC[C@H]([NH3+])c1ccnc(C(=O)[O-])c1 104663754 573144767 /nfs/dbraw/zinc/14/47/67/573144767.db2.gz CJXDDLWBUPAENG-ZETCQYMHSA-N 0 0 180.207 1.190 10 0 ADAERN O=Cc1cccc2ccc(=O)oc12 114944537 573144772 /nfs/dbraw/zinc/14/47/72/573144772.db2.gz FMGJBLRERFZGCF-UHFFFAOYSA-N 0 0 174.155 1.606 10 0 ADAERN CC(=O)[C@H](N)c1cc(O)cc(F)c1 104662839 573144775 /nfs/dbraw/zinc/14/47/75/573144775.db2.gz FQDVMVBHZGBGCT-VIFPVBQESA-N 0 0 183.182 1.120 10 0 ADAERN CCOC[C@H](C)CCO 238290144 573144783 /nfs/dbraw/zinc/14/47/83/573144783.db2.gz BKBNMJJARZZBKP-SSDOTTSWSA-N 0 0 132.203 1.041 10 0 ADAERN Nc1nnccc1-c1ccccc1F 258546292 573144785 /nfs/dbraw/zinc/14/47/85/573144785.db2.gz ISOGNMBBGMEXAC-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CON(C)C(=O)[C@H]1C[C@H]1C1CCC1 308502624 573144830 /nfs/dbraw/zinc/14/48/30/573144830.db2.gz XQYKEKIPGUHJMV-IUCAKERBSA-N 0 0 183.251 1.442 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@@H]1C1CCC1 308502625 573144881 /nfs/dbraw/zinc/14/48/81/573144881.db2.gz XQYKEKIPGUHJMV-RKDXNWHRSA-N 0 0 183.251 1.442 10 0 ADAERN c1nc(-c2ccc3nc[nH]c3c2)c[nH]1 114984191 573144886 /nfs/dbraw/zinc/14/48/86/573144886.db2.gz AKRYEJJRQBIWTH-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1ncc(N)cn1 82648169 573144907 /nfs/dbraw/zinc/14/49/07/573144907.db2.gz XRONOGGALGZOPH-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN C=C/C(C)=C\CC(=O)N1CCCO1 308276955 573144916 /nfs/dbraw/zinc/14/49/16/573144916.db2.gz WCGYXLPCXNCVSE-UITAMQMPSA-N 0 0 181.235 1.673 10 0 ADAERN Clc1nc(C2CC2)c[nH]1 258481368 573144922 /nfs/dbraw/zinc/14/49/22/573144922.db2.gz IQRHVIHQAOZELP-UHFFFAOYSA-N 0 0 142.589 1.941 10 0 ADAERN C[C@H](CC(F)(F)F)n1cc[nH]c1=O 235486646 573144934 /nfs/dbraw/zinc/14/49/34/573144934.db2.gz FYBGHHOQNIQBLT-RXMQYKEDSA-N 0 0 194.156 1.690 10 0 ADAERN OC[C@H](CNc1ccccn1)C1CC1 308503616 573144935 /nfs/dbraw/zinc/14/49/35/573144935.db2.gz BYDMDFFSTYPNBL-JTQLQIEISA-N 0 0 192.262 1.512 10 0 ADAERN CCOC(=N)C1(OC)CCCC1 128927239 573144945 /nfs/dbraw/zinc/14/49/45/573144945.db2.gz ZQHPDXKBFQAFTG-UHFFFAOYSA-N 0 0 171.240 1.959 10 0 ADAERN O=C([O-])c1cscc1[C@H]1CC[NH2+]1 104663156 573144946 /nfs/dbraw/zinc/14/49/46/573144946.db2.gz WTGDSIMDRNZHKS-SSDOTTSWSA-N 0 0 183.232 1.481 10 0 ADAERN CCOc1ccc(O)c(NC(C)=O)c1 238290558 573144960 /nfs/dbraw/zinc/14/49/60/573144960.db2.gz PJHFLIPGINUKCN-UHFFFAOYSA-N 0 0 195.218 1.749 10 0 ADAERN CCC[C@@H](C)N(C(=O)NC)C1CC1 308502509 573144985 /nfs/dbraw/zinc/14/49/85/573144985.db2.gz XOMJWXKXPDQRKJ-MRVPVSSYSA-N 0 0 184.283 1.979 10 0 ADAERN CC(C)Cc1ncc([C@H](C)CO)o1 258235812 573144990 /nfs/dbraw/zinc/14/49/90/573144990.db2.gz VWIKVTQECKPLFX-MRVPVSSYSA-N 0 0 183.251 1.969 10 0 ADAERN O=C1Nc2cc(F)ccc2OC12CC2 259342712 573144999 /nfs/dbraw/zinc/14/49/99/573144999.db2.gz TWHFBIAJQDJBGT-UHFFFAOYSA-N 0 0 193.177 1.689 10 0 ADAERN CCCN(C)[S@](=O)CC 225318120 573145007 /nfs/dbraw/zinc/14/50/07/573145007.db2.gz CWXKQLXXLKCNLU-SECBINFHSA-N 0 0 149.259 1.012 10 0 ADAERN CC(=O)C1(C(C)C)COC1 258549619 573145032 /nfs/dbraw/zinc/14/50/32/573145032.db2.gz KORNKULKFKVNAK-UHFFFAOYSA-N 0 0 142.198 1.248 10 0 ADAERN CCn1ccnc1C1(O)CCC1 85754642 573145053 /nfs/dbraw/zinc/14/50/53/573145053.db2.gz DGMKTMWKNUMDMR-UHFFFAOYSA-N 0 0 166.224 1.275 10 0 ADAERN C[C@H](CC(F)F)C[C@H]([NH3+])C(=O)[O-] 688729040 573145495 /nfs/dbraw/zinc/14/54/95/573145495.db2.gz RXCWNOKVRPHJQB-WHFBIAKZSA-N 0 0 181.182 1.080 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1ccc(N)nc1 82648213 573145091 /nfs/dbraw/zinc/14/50/91/573145091.db2.gz LPTGXSMHPDXESS-BDAKNGLRSA-N 0 0 191.278 1.756 10 0 ADAERN COC[C@@H]([NH3+])c1ccccc1[S-] 104665213 573145100 /nfs/dbraw/zinc/14/51/00/573145100.db2.gz ZRCHQNWILWXPEN-MRVPVSSYSA-N 0 0 183.276 1.622 10 0 ADAERN CCC1(C)C(O)C(C)(CC)C1O 223902167 573145108 /nfs/dbraw/zinc/14/51/08/573145108.db2.gz HFEBPRROMPBUCQ-UHFFFAOYSA-N 0 0 172.268 1.554 10 0 ADAERN CC[C@H]([NH3+])c1cccc(C(=O)[O-])n1 104665261 573145110 /nfs/dbraw/zinc/14/51/10/573145110.db2.gz BNTDMOYUWITUGC-LURJTMIESA-N 0 0 180.207 1.190 10 0 ADAERN CCc1ccc2c(n1)C[C@@H](C)O2 238290309 573145112 /nfs/dbraw/zinc/14/51/12/573145112.db2.gz QOKHJWJJQSTAJZ-SSDOTTSWSA-N 0 0 163.220 1.967 10 0 ADAERN CCOC(=O)c1[nH]c(C)cc1C(C)=O 308276832 573145126 /nfs/dbraw/zinc/14/51/26/573145126.db2.gz OYIAMADUHWOLOT-UHFFFAOYSA-N 0 0 195.218 1.702 10 0 ADAERN CC(=O)[C@@H]1CC[C@H]2[C@@H](C=NN2C)C1 257733662 573145133 /nfs/dbraw/zinc/14/51/33/573145133.db2.gz VOMJCXAHEGQQAH-BBBLOLIVSA-N 0 0 180.251 1.292 10 0 ADAERN Cc1ccc(C2(O)CCC2)cn1 85754489 573145140 /nfs/dbraw/zinc/14/51/40/573145140.db2.gz FZICECRUXAYAOH-UHFFFAOYSA-N 0 0 163.220 1.762 10 0 ADAERN CC(C)C(COC(=O)CO)C(C)C 308281349 573145141 /nfs/dbraw/zinc/14/51/41/573145141.db2.gz XCEWBRPISJLUQD-UHFFFAOYSA-N 0 0 188.267 1.450 10 0 ADAERN COCOc1cc(O)ccc1F 114974661 573145147 /nfs/dbraw/zinc/14/51/47/573145147.db2.gz UIJFFEPWIRWUKS-UHFFFAOYSA-N 0 0 172.155 1.514 10 0 ADAERN OCc1cnoc1-c1ccc(O)cc1 259342671 573145170 /nfs/dbraw/zinc/14/51/70/573145170.db2.gz TVTGOMHVHXELLJ-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CC(=O)[C@H](N)c1ccc(F)c(O)c1 104662830 573145176 /nfs/dbraw/zinc/14/51/76/573145176.db2.gz WDRPCDWLMKLWEE-VIFPVBQESA-N 0 0 183.182 1.120 10 0 ADAERN C[N@@H+]1CCC[C@@H]1c1ccc(CO)nc1 114939983 573145218 /nfs/dbraw/zinc/14/52/18/573145218.db2.gz HJDCNAJYPGRVAD-LLVKDONJSA-N 0 0 192.262 1.341 10 0 ADAERN CCn1nc(C)cc1CC1(O)CCC1 85754666 573145219 /nfs/dbraw/zinc/14/52/19/573145219.db2.gz JLZZKZDUBSKAEM-UHFFFAOYSA-N 0 0 194.278 1.669 10 0 ADAERN Clc1cnc(NC2CC2)o1 258537421 573145222 /nfs/dbraw/zinc/14/52/22/573145222.db2.gz NDVTZIGBBKLSAW-UHFFFAOYSA-N 0 0 158.588 1.902 10 0 ADAERN CCC[C@@H](C)[C@H](NN)c1cnn(C)c1 128930217 573145234 /nfs/dbraw/zinc/14/52/34/573145234.db2.gz OXKQSOQNBNXFKY-SCZZXKLOSA-N 0 0 196.298 1.361 10 0 ADAERN CCC[C@H](C)N(C(=O)NC)C1CC1 308502514 573145239 /nfs/dbraw/zinc/14/52/39/573145239.db2.gz XOMJWXKXPDQRKJ-QMMMGPOBSA-N 0 0 184.283 1.979 10 0 ADAERN C[C@@H](CC(F)F)C[C@H]([NH3+])C(=O)[O-] 688729035 573145246 /nfs/dbraw/zinc/14/52/46/573145246.db2.gz RXCWNOKVRPHJQB-UHNVWZDZSA-N 0 0 181.182 1.080 10 0 ADAERN Nc1ccccc1C(O)=S 114952438 573145250 /nfs/dbraw/zinc/14/52/50/573145250.db2.gz WFHFVCFAKGYGPN-UHFFFAOYSA-N 0 0 153.206 1.502 10 0 ADAERN CN(C)c1nc2ccncc2s1 238290473 573145273 /nfs/dbraw/zinc/14/52/73/573145273.db2.gz ZDAPWJKODRLAFD-UHFFFAOYSA-N 0 0 179.248 1.757 10 0 ADAERN CCc1nc(N)nc([C@@H](C)CC)n1 82664485 573145341 /nfs/dbraw/zinc/14/53/41/573145341.db2.gz KZQIWCSXQRDHKA-LURJTMIESA-N 0 0 180.255 1.530 10 0 ADAERN CC(=O)Cc1cnc([C@H]2CCCO2)o1 258235888 573145348 /nfs/dbraw/zinc/14/53/48/573145348.db2.gz VXXPZAMQQCDFFI-SECBINFHSA-N 0 0 195.218 1.658 10 0 ADAERN Cc1cc(CC2(O)CCC2)n(C)n1 85754571 573145379 /nfs/dbraw/zinc/14/53/79/573145379.db2.gz LHWHRGVALAPULX-UHFFFAOYSA-N 0 0 180.251 1.186 10 0 ADAERN O=C(c1ncccn1)N1CCCCC1 114942106 573145380 /nfs/dbraw/zinc/14/53/80/573145380.db2.gz BHDQOMOYCYOLCL-UHFFFAOYSA-N 0 0 191.234 1.103 10 0 ADAERN CCc1ccc2c(c1)C[NH2+][C@H]2C(=O)[O-] 238290776 573145393 /nfs/dbraw/zinc/14/53/93/573145393.db2.gz TVHNSIOXOGREIL-SNVBAGLBSA-N 0 0 191.230 1.478 10 0 ADAERN OCCC=C1CCOCC1 114940357 573145490 /nfs/dbraw/zinc/14/54/90/573145490.db2.gz PSMHEPYBBFJOOM-UHFFFAOYSA-N 0 0 142.198 1.106 10 0 ADAERN O=Cc1cc(C[C@H]2CCSC2)on1 259342723 573145987 /nfs/dbraw/zinc/14/59/87/573145987.db2.gz TWMUNBYVNXKTTG-SSDOTTSWSA-N 0 0 197.259 1.783 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1ccco1 104664303 573145499 /nfs/dbraw/zinc/14/54/99/573145499.db2.gz QSBCASGHGWOJEY-SSDOTTSWSA-N 0 0 183.207 1.390 10 0 ADAERN OCc1cc(C[C@H]2CCSC2)n[nH]1 259342782 573145549 /nfs/dbraw/zinc/14/55/49/573145549.db2.gz TXGRGFLLEFFSAT-SSDOTTSWSA-N 0 0 198.291 1.198 10 0 ADAERN Cc1ccncc1C1(O)CCC1 85754441 573145551 /nfs/dbraw/zinc/14/55/51/573145551.db2.gz JONMCMYAPJZFKU-UHFFFAOYSA-N 0 0 163.220 1.762 10 0 ADAERN COC1CC(OC(=O)C(C)(C)F)C1 308277005 573145560 /nfs/dbraw/zinc/14/55/60/573145560.db2.gz WEAMMGIZDWOIPO-UHFFFAOYSA-N 0 0 190.214 1.455 10 0 ADAERN Cc1cnc(Cl)nc1-n1ccnc1 85788496 573145572 /nfs/dbraw/zinc/14/55/72/573145572.db2.gz MCKZYZWFFFRLRS-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1ccc(N)nc1 82648211 573145575 /nfs/dbraw/zinc/14/55/75/573145575.db2.gz LPTGXSMHPDXESS-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN OC1(CC2CCOCC2)CCC1 85754504 573145592 /nfs/dbraw/zinc/14/55/92/573145592.db2.gz UAGYHINXMNXONO-UHFFFAOYSA-N 0 0 170.252 1.718 10 0 ADAERN CN(N)Cc1c[nH]c2ccccc12 238290690 573145602 /nfs/dbraw/zinc/14/56/02/573145602.db2.gz CGNHNVGTKZIVBC-UHFFFAOYSA-N 0 0 175.235 1.473 10 0 ADAERN C[C@H](CCC(=O)[O-])[C@H]1CCCC[NH2+]1 238410487 573145612 /nfs/dbraw/zinc/14/56/12/573145612.db2.gz HBYLHDCCDMVZHF-RKDXNWHRSA-N 0 0 185.267 1.629 10 0 ADAERN CCc1ccc2c(c1OC)OCO2 238289912 573145667 /nfs/dbraw/zinc/14/56/67/573145667.db2.gz ZWJQDLNMQMPAKA-UHFFFAOYSA-N 0 0 180.203 1.986 10 0 ADAERN CONCc1ccc(Cl)c(N)c1 259343738 573145678 /nfs/dbraw/zinc/14/56/78/573145678.db2.gz HJMGITWFFSHBQY-UHFFFAOYSA-N 0 0 186.642 1.573 10 0 ADAERN COC(=O)CC[N@@H+]1CCC[C@H]2C[C@H]21 308281348 573145686 /nfs/dbraw/zinc/14/56/86/573145686.db2.gz XYYIRNRLEHINGQ-DTWKUNHWSA-N 0 0 183.251 1.034 10 0 ADAERN CCc1nc(N)oc1-c1ccccn1 258552433 573145795 /nfs/dbraw/zinc/14/57/95/573145795.db2.gz JFKCIGHKYKHSAR-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CN(C/C=C/Cl)Cc1cnccn1 308503596 573145811 /nfs/dbraw/zinc/14/58/11/573145811.db2.gz YDMXTRRIACEMHP-NSCUHMNNSA-N 0 0 197.669 1.661 10 0 ADAERN CC[C@@H](CO)C1(C)COC1 258551987 573145815 /nfs/dbraw/zinc/14/58/15/573145815.db2.gz KYAWHOLXHFCOJY-ZETCQYMHSA-N 0 0 144.214 1.041 10 0 ADAERN CCc1nc(N)nc(C2CCCC2)n1 82664490 573145846 /nfs/dbraw/zinc/14/58/46/573145846.db2.gz IDLQFNRZYHKKPH-UHFFFAOYSA-N 0 0 192.266 1.674 10 0 ADAERN CC[C@](C)(O)C(=O)NC(C)(C)C 238290086 573145859 /nfs/dbraw/zinc/14/58/59/573145859.db2.gz SHDHRXBSGRJEKH-VIFPVBQESA-N 0 0 173.256 1.062 10 0 ADAERN CCc1c(C)cccc1CON 238291216 573145866 /nfs/dbraw/zinc/14/58/66/573145866.db2.gz LBLQYLOJTAJLLN-UHFFFAOYSA-N 0 0 165.236 1.948 10 0 ADAERN CCCC1(CC(C)=O)COC1 258552007 573145887 /nfs/dbraw/zinc/14/58/87/573145887.db2.gz KZBIRXHTWRKODY-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN CC[C@@H](CC(C)=O)C(C)=O 114976637 573145895 /nfs/dbraw/zinc/14/58/95/573145895.db2.gz PYXFYLDTQFWCCK-QMMMGPOBSA-N 0 0 142.198 1.581 10 0 ADAERN C[C@H]1Oc2cccc(O)c2O1 197005769 573145927 /nfs/dbraw/zinc/14/59/27/573145927.db2.gz URGAUEQFLHBPLT-YFKPBYRVSA-N 0 0 152.149 1.509 10 0 ADAERN CN(C)C(=O)N(C)c1cccnc1 123720142 573145939 /nfs/dbraw/zinc/14/59/39/573145939.db2.gz USALORQDZHHVOQ-UHFFFAOYSA-N 0 0 179.223 1.199 10 0 ADAERN Oc1ccc([C@H]2CCON2)cc1 258539178 573145940 /nfs/dbraw/zinc/14/59/40/573145940.db2.gz OGXKHQCPXFTTNW-SECBINFHSA-N 0 0 165.192 1.358 10 0 ADAERN O=c1ccc([C@H]2CCCSC2)n[nH]1 259346482 573145948 /nfs/dbraw/zinc/14/59/48/573145948.db2.gz GBLXHCFOPPZXRQ-ZETCQYMHSA-N 0 0 196.275 1.793 10 0 ADAERN [NH3+][C@@H]1COc2cc([S-])ccc21 104665922 573145955 /nfs/dbraw/zinc/14/59/55/573145955.db2.gz YCSOFNSFPLAERM-SSDOTTSWSA-N 0 0 167.233 1.368 10 0 ADAERN CC(=O)[C@@H](N)c1ccsc1 104664227 573146036 /nfs/dbraw/zinc/14/60/36/573146036.db2.gz KWHIFESZPFNYAR-SSDOTTSWSA-N 0 0 155.222 1.337 10 0 ADAERN CCN(C(N)=O)C(C)(C)C 114941838 573146044 /nfs/dbraw/zinc/14/60/44/573146044.db2.gz SQWXDQHQJWLPQI-UHFFFAOYSA-N 0 0 144.218 1.186 10 0 ADAERN Nc1nn2ccccc2c1Cl 258552514 573146095 /nfs/dbraw/zinc/14/60/95/573146095.db2.gz PMPDHTKAQADVJT-UHFFFAOYSA-N 0 0 167.599 1.570 10 0 ADAERN CCN[C@@H](C(=O)OC)C1(C)CCC1 686134344 573146589 /nfs/dbraw/zinc/14/65/89/573146589.db2.gz RMVVQSIOGCAWIU-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN OC[C@@H](CNc1ccccn1)C1CC1 308503617 573146108 /nfs/dbraw/zinc/14/61/08/573146108.db2.gz BYDMDFFSTYPNBL-SNVBAGLBSA-N 0 0 192.262 1.512 10 0 ADAERN CC[C@H](CO)C1(C)COC1 258551984 573146111 /nfs/dbraw/zinc/14/61/11/573146111.db2.gz KYAWHOLXHFCOJY-SSDOTTSWSA-N 0 0 144.214 1.041 10 0 ADAERN CCn1nnc(N)c1C1CCC1 258539340 573146128 /nfs/dbraw/zinc/14/61/28/573146128.db2.gz OJIJECLFHHEKTK-UHFFFAOYSA-N 0 0 166.228 1.148 10 0 ADAERN Cn1nc([C@@H]2CCCOC2)cc1C=O 259342771 573146140 /nfs/dbraw/zinc/14/61/40/573146140.db2.gz TXCATKONGRGLGL-MRVPVSSYSA-N 0 0 194.234 1.127 10 0 ADAERN CN(C)c1ncc(OC2CC2)cn1 238290780 573146160 /nfs/dbraw/zinc/14/61/60/573146160.db2.gz GBCCETAMKUXIJO-UHFFFAOYSA-N 0 0 179.223 1.084 10 0 ADAERN Cc1ccc(C(=O)CN(C)C)nc1 238290634 573146170 /nfs/dbraw/zinc/14/61/70/573146170.db2.gz GOBSSHZTYFIBMQ-UHFFFAOYSA-N 0 0 178.235 1.134 10 0 ADAERN C[C@@H](CC(F)F)C[C@@H]([NH3+])C(=O)[O-] 688729034 573146174 /nfs/dbraw/zinc/14/61/74/573146174.db2.gz RXCWNOKVRPHJQB-RFZPGFLSSA-N 0 0 181.182 1.080 10 0 ADAERN CC[C@@H]1ON=C(C(C)=O)[C@@H]1C 238291099 573146243 /nfs/dbraw/zinc/14/62/43/573146243.db2.gz LTNYWPLHTCVPLA-VDTYLAMSSA-N 0 0 155.197 1.376 10 0 ADAERN Cc1oc(CO)nc1CC(C)C 258552511 573146264 /nfs/dbraw/zinc/14/62/64/573146264.db2.gz PMKLGACQUAKFGP-UHFFFAOYSA-N 0 0 169.224 1.674 10 0 ADAERN CC(=O)[C@@H]([NH3+])c1ccc([S-])cc1 104665409 573146271 /nfs/dbraw/zinc/14/62/71/573146271.db2.gz OIBSFVDONPOZAL-SECBINFHSA-N 0 0 181.260 1.564 10 0 ADAERN CC(=O)CC(=O)N(C)C[C@H]1C[C@H]1C 82655588 573146283 /nfs/dbraw/zinc/14/62/83/573146283.db2.gz HHPAUAZOEYIDNW-VXNVDRBHSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1nc(C)n(-c2cccc(N)c2)n1 82655679 573146296 /nfs/dbraw/zinc/14/62/96/573146296.db2.gz SKCDXNNNRUZOOS-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cn(-c2cc(F)ccc2N)cn1 114943112 573146302 /nfs/dbraw/zinc/14/63/02/573146302.db2.gz PCQQUKQRHVNPGU-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CC[C@@H]1ON=C(C(C)=O)[C@H]1CC 238291133 573146307 /nfs/dbraw/zinc/14/63/07/573146307.db2.gz GBZVPBHYAPGYDT-YUMQZZPRSA-N 0 0 169.224 1.766 10 0 ADAERN CCOC(=O)c1c[nH]c2c1CCC2 238290002 573146315 /nfs/dbraw/zinc/14/63/15/573146315.db2.gz HTAFQPWIAUIHSG-UHFFFAOYSA-N 0 0 179.219 1.680 10 0 ADAERN CC(C)CC1C(=O)C=NN1C 258550941 573146333 /nfs/dbraw/zinc/14/63/33/573146333.db2.gz PJPIUJXVSNTGKM-UHFFFAOYSA-N 0 0 154.213 1.324 10 0 ADAERN [NH3+][C@H](c1ccc(C(=O)[O-])o1)C1CC1 104664907 573146436 /nfs/dbraw/zinc/14/64/36/573146436.db2.gz IVLLCEVDBRHTRA-QMMMGPOBSA-N 0 0 181.191 1.388 10 0 ADAERN CNc1cc(C(=O)OC)c(C)cc1N 114948358 573146405 /nfs/dbraw/zinc/14/64/05/573146405.db2.gz XQLBCDRPZAMIGF-UHFFFAOYSA-N 0 0 194.234 1.406 10 0 ADAERN CCc1nc(N)nc([C@H](C)CC)n1 82664488 573146409 /nfs/dbraw/zinc/14/64/09/573146409.db2.gz KZQIWCSXQRDHKA-ZCFIWIBFSA-N 0 0 180.255 1.530 10 0 ADAERN OCc1nc(C2CCCC2)c[nH]1 258552521 573146424 /nfs/dbraw/zinc/14/64/24/573146424.db2.gz PMVAXSVHHUNXDB-UHFFFAOYSA-N 0 0 166.224 1.560 10 0 ADAERN CC[C@@H]1OC(=O)c2cc(N)ccc21 238290220 573146463 /nfs/dbraw/zinc/14/64/63/573146463.db2.gz WMWIGVIIBXUIHE-VIFPVBQESA-N 0 0 177.203 1.890 10 0 ADAERN C=CC(=O)N(C)C[C@@H]1C[C@@H]1C 82648792 573146466 /nfs/dbraw/zinc/14/64/66/573146466.db2.gz NSVTYABIWDCNME-YUMQZZPRSA-N 0 0 153.225 1.287 10 0 ADAERN CC(=O)[C@H](N)c1ccc(C)nc1C 104662923 573146473 /nfs/dbraw/zinc/14/64/73/573146473.db2.gz GCNZDDWOBNDXIO-JTQLQIEISA-N 0 0 178.235 1.287 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)ccc1N 104665402 573146493 /nfs/dbraw/zinc/14/64/93/573146493.db2.gz QKPGYRTYETZYGJ-JTQLQIEISA-N 0 0 178.235 1.166 10 0 ADAERN C[C@H](O)[C@H]([NH3+])c1ccc([S-])cc1 104664679 573146502 /nfs/dbraw/zinc/14/65/02/573146502.db2.gz UJTNOVQMJDFINX-RCOVLWMOSA-N 0 0 183.276 1.356 10 0 ADAERN CC1C[C@@H]2CC[C@H](C1)C2O 259342760 573146533 /nfs/dbraw/zinc/14/65/33/573146533.db2.gz PFNPQBHAOWCLDF-VGKQMMLZSA-N 0 0 140.226 1.803 10 0 ADAERN C[C@H]1CNc2cc(CO)ccc2N1 259346236 573146540 /nfs/dbraw/zinc/14/65/40/573146540.db2.gz UCNCEQMQIQANAE-ZETCQYMHSA-N 0 0 178.235 1.405 10 0 ADAERN CCN[C@H](C(=O)OC)C1(C)CCC1 686134343 573146546 /nfs/dbraw/zinc/14/65/46/573146546.db2.gz RMVVQSIOGCAWIU-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CON(C)C(=O)/C=C\c1cncs1 308503553 573146559 /nfs/dbraw/zinc/14/65/59/573146559.db2.gz YCLAFZOWHNUCKG-ARJAWSKDSA-N 0 0 198.247 1.176 10 0 ADAERN OCc1nc(C2CC2)co1 258539291 573146573 /nfs/dbraw/zinc/14/65/73/573146573.db2.gz OIUSRIZXBYFQNC-UHFFFAOYSA-N 0 0 139.154 1.044 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1ncccc1N 82648184 573146623 /nfs/dbraw/zinc/14/66/23/573146623.db2.gz QNUAZFXHHFDEJK-IUCAKERBSA-N 0 0 191.278 1.756 10 0 ADAERN Cc1cc(N)c2nn(C)cc2c1 259343913 573147223 /nfs/dbraw/zinc/14/72/23/573147223.db2.gz HNGDVSFHQLLHIY-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN CN1CCO[C@H](C(=O)CC2CCC2)C1 85792798 573147050 /nfs/dbraw/zinc/14/70/50/573147050.db2.gz HVYQYIJVPACIKB-NSHDSACASA-N 0 0 197.278 1.076 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1ncccc1N 82648183 573147065 /nfs/dbraw/zinc/14/70/65/573147065.db2.gz QNUAZFXHHFDEJK-BDAKNGLRSA-N 0 0 191.278 1.756 10 0 ADAERN C[C@@H]1CNc2cc(CO)ccc2N1 259346230 573147077 /nfs/dbraw/zinc/14/70/77/573147077.db2.gz UCNCEQMQIQANAE-SSDOTTSWSA-N 0 0 178.235 1.405 10 0 ADAERN CC[C@H](C)C(=O)N[C@@H]1C[C@@H]1C1CC1 308288780 573147106 /nfs/dbraw/zinc/14/71/06/573147106.db2.gz FULWABHLFIEOQM-FXBDTBDDSA-N 0 0 181.279 1.947 10 0 ADAERN [NH3+][C@@H]1CCc2ccc([S-])cc21 104664729 573147110 /nfs/dbraw/zinc/14/71/10/573147110.db2.gz RUODCVPEUZIAEQ-SECBINFHSA-N 0 0 165.261 1.921 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1ccc(N)nc1 82648214 573147111 /nfs/dbraw/zinc/14/71/11/573147111.db2.gz LPTGXSMHPDXESS-IUCAKERBSA-N 0 0 191.278 1.756 10 0 ADAERN Cc1nc(CN(C)C)nc(Cl)c1C 85792338 573147114 /nfs/dbraw/zinc/14/71/14/573147114.db2.gz BWHZEMSMFBJSPF-UHFFFAOYSA-N 0 0 199.685 1.808 10 0 ADAERN CCCc1nc([C@H](O)C2CC2)no1 308502640 573147150 /nfs/dbraw/zinc/14/71/50/573147150.db2.gz XSDIORYZYGVBKH-MRVPVSSYSA-N 0 0 182.223 1.466 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C[NH3+])o1 258539234 573147180 /nfs/dbraw/zinc/14/71/80/573147180.db2.gz OHQANFIHCYCJHO-LURJTMIESA-N 0 0 154.213 1.019 10 0 ADAERN OC[C@@H](F)[C@H]1CCCS1 258539143 573147462 /nfs/dbraw/zinc/14/74/62/573147462.db2.gz OGQZMVGRXCTTAN-PHDIDXHHSA-N 0 0 150.218 1.212 10 0 ADAERN CCOc1ccc(O)c2c1CCC2=O 238290933 573147189 /nfs/dbraw/zinc/14/71/89/573147189.db2.gz KFYGOKZPIGIHRI-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN O=Cc1ccc(F)c2c1OCO2 258539371 573147207 /nfs/dbraw/zinc/14/72/07/573147207.db2.gz OJRUEPJCHHPWMH-UHFFFAOYSA-N 0 0 168.123 1.367 10 0 ADAERN CCn1nc(N)c2c1CSC2 258539039 573147218 /nfs/dbraw/zinc/14/72/18/573147218.db2.gz OFBBOLGBUDVGQG-UHFFFAOYSA-N 0 0 169.253 1.232 10 0 ADAERN CC[C@@]1(C)NC(=O)c2cccnc2N1 238290663 573147240 /nfs/dbraw/zinc/14/72/40/573147240.db2.gz MJDKKJGWXLBDQE-SNVBAGLBSA-N 0 0 191.234 1.363 10 0 ADAERN C/C=C\C(=O)OCc1cnn(C)c1 308287533 573147252 /nfs/dbraw/zinc/14/72/52/573147252.db2.gz FEBCVBCTUNCCGF-ARJAWSKDSA-N 0 0 180.207 1.039 10 0 ADAERN Nc1ccccc1NCC(F)F 114965145 573147258 /nfs/dbraw/zinc/14/72/58/573147258.db2.gz NPUUHVOZAWKVCR-UHFFFAOYSA-N 0 0 172.178 1.946 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1ccc(N)cn1 82648113 573147279 /nfs/dbraw/zinc/14/72/79/573147279.db2.gz ZAQBLGORGTWVDP-BDAKNGLRSA-N 0 0 191.278 1.756 10 0 ADAERN CCON[C@@H](C)c1cnc(C)cn1 308288612 573147292 /nfs/dbraw/zinc/14/72/92/573147292.db2.gz CEUHTDXVKXFMKA-QMMMGPOBSA-N 0 0 181.239 1.387 10 0 ADAERN Nc1cccc2occ(CO)c12 258538616 573147296 /nfs/dbraw/zinc/14/72/96/573147296.db2.gz HJFKSFXNRYYXTK-UHFFFAOYSA-N 0 0 163.176 1.507 10 0 ADAERN CCOC(=O)Nc1nnsc1C 238290184 573147334 /nfs/dbraw/zinc/14/73/34/573147334.db2.gz OFLMGKILGXYKFU-UHFFFAOYSA-N 0 0 187.224 1.415 10 0 ADAERN CN1CCc2cccc(CO)c21 89209978 573147342 /nfs/dbraw/zinc/14/73/42/573147342.db2.gz MMCVIJXEQSMFRY-UHFFFAOYSA-N 0 0 163.220 1.171 10 0 ADAERN CCc1ccc2c(n1)C[C@H](C)O2 238290261 573147346 /nfs/dbraw/zinc/14/73/46/573147346.db2.gz QOKHJWJJQSTAJZ-ZETCQYMHSA-N 0 0 163.220 1.967 10 0 ADAERN CC[C@@H](C)OCn1nc(C)c(N)c1C 379485286 573147362 /nfs/dbraw/zinc/14/73/62/573147362.db2.gz APZRMVPXNUPTJI-SSDOTTSWSA-N 0 0 197.282 1.855 10 0 ADAERN Nc1cc2c3c(c1)CCN3CC2 258550798 573147380 /nfs/dbraw/zinc/14/73/80/573147380.db2.gz PIVBSODKSICTAS-UHFFFAOYSA-N 0 0 160.220 1.187 10 0 ADAERN CCO[C@H](N)C(Cl)(Cl)Cl 238290885 573147381 /nfs/dbraw/zinc/14/73/81/573147381.db2.gz FGBFDCNGODPZQK-VKHMYHEASA-N 0 0 192.473 1.678 10 0 ADAERN C=CC(=O)N(C)C[C@H]1C[C@@H]1C 82648790 573147411 /nfs/dbraw/zinc/14/74/11/573147411.db2.gz NSVTYABIWDCNME-JGVFFNPUSA-N 0 0 153.225 1.287 10 0 ADAERN CC(=O)[C@@H](N)c1ccncc1Cl 104665452 573147417 /nfs/dbraw/zinc/14/74/17/573147417.db2.gz OGMQTRLXOJKQFP-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN O=c1[nH]cc2ccc(F)cn12 258550697 573147579 /nfs/dbraw/zinc/14/75/79/573147579.db2.gz PIFKSVAZSOESCJ-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN CC[C@@H]1ON=C(C(C)=O)[C@@H]1CC 238291112 573147524 /nfs/dbraw/zinc/14/75/24/573147524.db2.gz GBZVPBHYAPGYDT-SFYZADRCSA-N 0 0 169.224 1.766 10 0 ADAERN CC(=O)[C@@H](F)[C@H]1CCSC1 258481895 573147533 /nfs/dbraw/zinc/14/75/33/573147533.db2.gz JEVPYFYCINRRJC-NKWVEPMBSA-N 0 0 162.229 1.667 10 0 ADAERN CSCC(=O)N[C@H](C)c1ccco1 308288526 573147566 /nfs/dbraw/zinc/14/75/66/573147566.db2.gz BYWFYPQPIQBCIJ-SSDOTTSWSA-N 0 0 199.275 1.820 10 0 ADAERN CC(=O)CCC(=O)O[C@@]1(C)C[C@H]1C 308288208 573147622 /nfs/dbraw/zinc/14/76/22/573147622.db2.gz FKQMRBGYTXBAON-XCBNKYQSSA-N 0 0 184.235 1.697 10 0 ADAERN Nc1noc2c1CCC2(F)F 258539186 573147634 /nfs/dbraw/zinc/14/76/34/573147634.db2.gz OGZCURWQDKRMCC-UHFFFAOYSA-N 0 0 160.123 1.295 10 0 ADAERN C=CC(=O)N(C)C[C@H]1C[C@H]1C 82648789 573147637 /nfs/dbraw/zinc/14/76/37/573147637.db2.gz NSVTYABIWDCNME-HTQZYQBOSA-N 0 0 153.225 1.287 10 0 ADAERN CC1CCC(c2ncnc(N)n2)CC1 82664359 573147644 /nfs/dbraw/zinc/14/76/44/573147644.db2.gz PABQRXINLFZRKO-UHFFFAOYSA-N 0 0 192.266 1.748 10 0 ADAERN CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@H]1C 238290078 573147646 /nfs/dbraw/zinc/14/76/46/573147646.db2.gz WENGDWLJTQGDNF-QYNIQEEDSA-N 0 0 170.208 1.163 10 0 ADAERN O=C1CNc2ccc(F)cc2S1 259342643 573147658 /nfs/dbraw/zinc/14/76/58/573147658.db2.gz TUWOJGYXOPQXNP-UHFFFAOYSA-N 0 0 183.207 1.870 10 0 ADAERN Cc1[nH]c(=O)[nH]c1CC(C)C 258539127 573147605 /nfs/dbraw/zinc/14/76/05/573147605.db2.gz OGLMRMXKUMEOET-UHFFFAOYSA-N 0 0 154.213 1.622 10 0 ADAERN CN(N)Cc1cc(O)ccc1Cl 238290745 573147670 /nfs/dbraw/zinc/14/76/70/573147670.db2.gz RUQJXWSRZHHMAZ-UHFFFAOYSA-N 0 0 186.642 1.351 10 0 ADAERN CC(=O)[C@@H](N)c1cc(O)cc(F)c1 104662841 573147697 /nfs/dbraw/zinc/14/76/97/573147697.db2.gz FQDVMVBHZGBGCT-SECBINFHSA-N 0 0 183.182 1.120 10 0 ADAERN C[C@@H]1CNc2c(CO)cccc2O1 259342744 573147708 /nfs/dbraw/zinc/14/77/08/573147708.db2.gz TWTWLUZMDYIAIP-SSDOTTSWSA-N 0 0 179.219 1.372 10 0 ADAERN COC[C@@H]([NH3+])c1nccc2[nH]ccc12 89220658 573147723 /nfs/dbraw/zinc/14/77/23/573147723.db2.gz UICAFJBNDBQULL-MRVPVSSYSA-N 0 0 191.234 1.209 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)[C@@H]1CC1(C)C 308287388 573147752 /nfs/dbraw/zinc/14/77/52/573147752.db2.gz ZQTVJYCTPLSRRU-SFYZADRCSA-N 0 0 184.235 1.553 10 0 ADAERN CC[C@@H]1ON=C2[C@@H](C(C)C)[NH2+]CC[C@H]21 238291175 573147778 /nfs/dbraw/zinc/14/77/78/573147778.db2.gz FATMBHIGGVSLFV-LPEHRKFASA-N 0 0 196.294 1.785 10 0 ADAERN CC(=O)[C@@H]1CCCCN1CC(F)F 82645071 573147812 /nfs/dbraw/zinc/14/78/12/573147812.db2.gz VRDJFJIPWXVCGZ-QMMMGPOBSA-N 0 0 191.221 1.695 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1ccc[nH]1 104663146 573147922 /nfs/dbraw/zinc/14/79/22/573147922.db2.gz FSPLXQIFCYQNHP-ZETCQYMHSA-N 0 0 182.223 1.125 10 0 ADAERN CC[C@H]([NH3+])c1nccc2[nH]ccc12 89220534 573147981 /nfs/dbraw/zinc/14/79/81/573147981.db2.gz CARSPJUQAREVJR-QMMMGPOBSA-N 0 0 175.235 1.973 10 0 ADAERN Cc1cc(-c2ccccn2)nc(C=O)n1 259343920 573147986 /nfs/dbraw/zinc/14/79/86/573147986.db2.gz PRWMSUAMMAOOBM-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN CN1CCO[C@@H](C(=O)CC2CCC2)C1 85792800 573147999 /nfs/dbraw/zinc/14/79/99/573147999.db2.gz HVYQYIJVPACIKB-LLVKDONJSA-N 0 0 197.278 1.076 10 0 ADAERN C/C=C(\C)[C@H](O)[C@@](C)(O)CC 238291210 573148045 /nfs/dbraw/zinc/14/80/45/573148045.db2.gz FWHIUPKYMSLYQQ-NHELSVQFSA-N 0 0 158.241 1.475 10 0 ADAERN OC[C@@H](F)[C@@H]1CCCS1 258539145 573148092 /nfs/dbraw/zinc/14/80/92/573148092.db2.gz OGQZMVGRXCTTAN-RITPCOANSA-N 0 0 150.218 1.212 10 0 ADAERN OC[C@H](F)[C@H]1CCCS1 258539139 573148060 /nfs/dbraw/zinc/14/80/60/573148060.db2.gz OGQZMVGRXCTTAN-NTSWFWBYSA-N 0 0 150.218 1.212 10 0 ADAERN CCc1nc(CN)oc1C(C)C 258539069 573148074 /nfs/dbraw/zinc/14/80/74/573148074.db2.gz OFSPCWMZFADVPM-UHFFFAOYSA-N 0 0 168.240 1.819 10 0 ADAERN C[C@@H]([NH3+])c1nccc2[nH]ccc12 89220521 573148516 /nfs/dbraw/zinc/14/85/16/573148516.db2.gz RMUHNWQWKUOMMW-ZCFIWIBFSA-N 0 0 161.208 1.583 10 0 ADAERN C[C@@H](O)C(F)(F)C1CCC1 258481730 573148416 /nfs/dbraw/zinc/14/84/16/573148416.db2.gz JECMWNZMIMZECS-RXMQYKEDSA-N 0 0 150.168 1.803 10 0 ADAERN CC(C)[C@H](C)CNN1CCN(C)CC1 308504778 573148454 /nfs/dbraw/zinc/14/84/54/573148454.db2.gz CYVJBXUZHRPAPG-LLVKDONJSA-N 0 0 199.342 1.031 10 0 ADAERN C[C@H]1CCC[C@@H](c2ncnc(N)n2)C1 82664374 573148474 /nfs/dbraw/zinc/14/84/74/573148474.db2.gz JLEYUHBRAQNLNM-JGVFFNPUSA-N 0 0 192.266 1.748 10 0 ADAERN CCOc1cnc(C2CCOCC2)o1 258539287 573148480 /nfs/dbraw/zinc/14/84/80/573148480.db2.gz GXXISDAJTAMRQR-UHFFFAOYSA-N 0 0 197.234 1.967 10 0 ADAERN COC1(Cc2cccc(CO)c2)CC1 259346511 573148487 /nfs/dbraw/zinc/14/84/87/573148487.db2.gz GBZDLOKABGIHTF-UHFFFAOYSA-N 0 0 192.258 1.900 10 0 ADAERN CC/C=C\COC(=O)c1csnn1 308504524 573148537 /nfs/dbraw/zinc/14/85/37/573148537.db2.gz YOCZAYIMMXVDFA-ARJAWSKDSA-N 0 0 198.247 1.661 10 0 ADAERN Cc1nc(N)nc(CCC(C)C)n1 82664091 573148548 /nfs/dbraw/zinc/14/85/48/573148548.db2.gz YQGKJNQPKUNBFY-UHFFFAOYSA-N 0 0 180.255 1.351 10 0 ADAERN N#CNC(=N)C1CCCCC1 82664234 573148569 /nfs/dbraw/zinc/14/85/69/573148569.db2.gz IKFICPRVLYJKEA-UHFFFAOYSA-N 0 0 151.213 1.615 10 0 ADAERN C[C@H]1CNc2cc(N)ccc2NC1=O 259342679 573148650 /nfs/dbraw/zinc/14/86/50/573148650.db2.gz TVVIUENFAYYTQB-LURJTMIESA-N 0 0 191.234 1.269 10 0 ADAERN OCc1cnc(C[C@H]2CCCOC2)o1 257957073 573148652 /nfs/dbraw/zinc/14/86/52/573148652.db2.gz GCASHBAKWSNNMO-MRVPVSSYSA-N 0 0 197.234 1.136 10 0 ADAERN [NH3+][C@H]1CCc2cc([S-])ccc21 104667114 573148668 /nfs/dbraw/zinc/14/86/68/573148668.db2.gz AWTOLIAGWKNAII-VIFPVBQESA-N 0 0 165.261 1.921 10 0 ADAERN Nc1cn(CCCCCF)ccc1=O 379483626 573148625 /nfs/dbraw/zinc/14/86/25/573148625.db2.gz GCZJMTOMLBITGR-UHFFFAOYSA-N 0 0 198.241 1.570 10 0 ADAERN CO[C@@H](C)CCN[C@H](C)C(F)(F)F 308504108 573148758 /nfs/dbraw/zinc/14/87/58/573148758.db2.gz YJUZTFKLDPGXDZ-NKWVEPMBSA-N 0 0 199.216 1.952 10 0 ADAERN COC[C@@H](C)C[C@H](NN)c1ccc[nH]1 308503881 573148766 /nfs/dbraw/zinc/14/87/66/573148766.db2.gz XXFBMQILJDAOLW-WPRPVWTQSA-N 0 0 197.282 1.192 10 0 ADAERN Nc1cc(C2CC2)cc(=O)[nH]1 258551264 573148776 /nfs/dbraw/zinc/14/87/76/573148776.db2.gz FFRSZCJUNCDYRP-UHFFFAOYSA-N 0 0 150.181 1.247 10 0 ADAERN COC[C@H](C)C[C@@H](NN)c1ccc[nH]1 308503878 573148778 /nfs/dbraw/zinc/14/87/78/573148778.db2.gz XXFBMQILJDAOLW-PSASIEDQSA-N 0 0 197.282 1.192 10 0 ADAERN CC[C@@H]([NH3+])c1nccc2[nH]ccc12 89220536 573148784 /nfs/dbraw/zinc/14/87/84/573148784.db2.gz CARSPJUQAREVJR-MRVPVSSYSA-N 0 0 175.235 1.973 10 0 ADAERN COc1c(C=O)ccc2c1cnn2C 259343856 573148785 /nfs/dbraw/zinc/14/87/85/573148785.db2.gz HMKYCRQZRKHXEP-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN COc1nc(-c2cccnc2)c(C)[nH]1 258538180 573148826 /nfs/dbraw/zinc/14/88/26/573148826.db2.gz JGFZNDRNRWJNLM-UHFFFAOYSA-N 0 0 189.218 1.789 10 0 ADAERN Nc1ncnc(-c2cccs2)n1 82664254 573148892 /nfs/dbraw/zinc/14/88/92/573148892.db2.gz JVJURUUMEYQGNQ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN COC[C@H](C)C(=O)O[C@H](C)C(C)C 308287728 573148894 /nfs/dbraw/zinc/14/88/94/573148894.db2.gz CQNQXQCRFNUHOE-DTWKUNHWSA-N 0 0 188.267 1.857 10 0 ADAERN CCN[C@@H](C(=O)OC)[C@H](C)C(C)C 308288116 573148919 /nfs/dbraw/zinc/14/89/19/573148919.db2.gz AJEPZOZOQJYLKN-RKDXNWHRSA-N 0 0 187.283 1.430 10 0 ADAERN Cc1ncc(-c2ccco2)c(=O)[nH]1 258541992 573148930 /nfs/dbraw/zinc/14/89/30/573148930.db2.gz NPRJNSBQQGNVFQ-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN Cc1nc(N)nc(-c2ccsc2)n1 82664189 573148957 /nfs/dbraw/zinc/14/89/57/573148957.db2.gz YINSZKUIDQUEFT-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN [NH3+][C@H]1CCc2cc([S-])ccc2C1 104666008 573148978 /nfs/dbraw/zinc/14/89/78/573148978.db2.gz KDXBHZWBQTVLDX-VIFPVBQESA-N 0 0 179.288 1.791 10 0 ADAERN CCc1nnc2cnc(Cl)cn12 238291875 573149542 /nfs/dbraw/zinc/14/95/42/573149542.db2.gz QMZWTFSEVUFFGY-UHFFFAOYSA-N 0 0 182.614 1.340 10 0 ADAERN Cc1nc(N)nc(C2CCCC2)n1 82664177 573149034 /nfs/dbraw/zinc/14/90/34/573149034.db2.gz ZZNBSBLAZGBYPR-UHFFFAOYSA-N 0 0 178.239 1.420 10 0 ADAERN OC[C@@H](F)[C@@H]1CCSC1 258550993 573149035 /nfs/dbraw/zinc/14/90/35/573149035.db2.gz PKGZGVBDCVMNRJ-PHDIDXHHSA-N 0 0 150.218 1.070 10 0 ADAERN CC(=O)N(C)c1cc(C)ccc1N 238292695 573149042 /nfs/dbraw/zinc/14/90/42/573149042.db2.gz YTTFRDOONWYJAK-UHFFFAOYSA-N 0 0 178.235 1.560 10 0 ADAERN Oc1cccc(OCl)c1 114952157 573149062 /nfs/dbraw/zinc/14/90/62/573149062.db2.gz BDHVMCONHFNQDY-UHFFFAOYSA-N 0 0 144.557 1.925 10 0 ADAERN COC(=O)c1cc(CC2CC2)[nH]n1 259345994 573149094 /nfs/dbraw/zinc/14/90/94/573149094.db2.gz CKVYKRJLFATTMI-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN CCc1ccc2c(c1)OC(=O)C2=O 238291454 573149066 /nfs/dbraw/zinc/14/90/66/573149066.db2.gz DWFFHQUXILVVPU-UHFFFAOYSA-N 0 0 176.171 1.351 10 0 ADAERN OCc1cnc([C@@H]2CCCS2)o1 257957055 573149067 /nfs/dbraw/zinc/14/90/67/573149067.db2.gz GBWIPHZXMPBYJD-ZETCQYMHSA-N 0 0 185.248 1.735 10 0 ADAERN CCOC(=O)c1noc(OC)c1C 225298711 573149073 /nfs/dbraw/zinc/14/90/73/573149073.db2.gz GBXUJUUSCKUNKE-UHFFFAOYSA-N 0 0 185.179 1.168 10 0 ADAERN CC(=O)[C@@H](F)[C@@H]1CCSC1 258481896 573149100 /nfs/dbraw/zinc/14/91/00/573149100.db2.gz JEVPYFYCINRRJC-RNFRBKRXSA-N 0 0 162.229 1.667 10 0 ADAERN CC[C@@H](C)C(=O)OCCCC(C)=O 308287550 573149105 /nfs/dbraw/zinc/14/91/05/573149105.db2.gz FFEFMNKFHSZQTC-MRVPVSSYSA-N 0 0 186.251 1.945 10 0 ADAERN COC[C@H]([NH3+])c1nccc2[nH]ccc12 89220652 573149110 /nfs/dbraw/zinc/14/91/10/573149110.db2.gz UICAFJBNDBQULL-QMMMGPOBSA-N 0 0 191.234 1.209 10 0 ADAERN CC/C=C/[C@@H](O)COCC 238292490 573149116 /nfs/dbraw/zinc/14/91/16/573149116.db2.gz BACGJAKVSPJTTJ-HQZHTGGTSA-N 0 0 144.214 1.350 10 0 ADAERN CCc1c(C)ccn2c(N)c[nH+]c12 238291913 573149162 /nfs/dbraw/zinc/14/91/62/573149162.db2.gz OGKLZBVEGBOBOO-UHFFFAOYSA-N 0 0 175.235 1.787 10 0 ADAERN COC[C@H]([NH3+])c1ccc([S-])cc1 104667588 573149174 /nfs/dbraw/zinc/14/91/74/573149174.db2.gz JIWSKVAIMMZZKG-VIFPVBQESA-N 0 0 183.276 1.622 10 0 ADAERN CC[C@@H](C)NC(=S)N(C)CC 238291927 573149199 /nfs/dbraw/zinc/14/91/99/573149199.db2.gz NWMDQQMNETYLPC-SSDOTTSWSA-N 0 0 174.313 1.611 10 0 ADAERN CCO[C@H](O)c1ccccn1 238291804 573149206 /nfs/dbraw/zinc/14/92/06/573149206.db2.gz FKKSXKSBABXTCT-QMMMGPOBSA-N 0 0 153.181 1.109 10 0 ADAERN CCO[C@H](O)c1ccc(O)cc1 238291770 573149216 /nfs/dbraw/zinc/14/92/16/573149216.db2.gz BCXMAKLGQKTLPH-VIFPVBQESA-N 0 0 168.192 1.420 10 0 ADAERN CO[C@H](C)CCN[C@@H](C)C(F)(F)F 308504354 573149218 /nfs/dbraw/zinc/14/92/18/573149218.db2.gz YJUZTFKLDPGXDZ-RQJHMYQMSA-N 0 0 199.216 1.952 10 0 ADAERN C[C@]12CC=C[C@H]1[C@](C[NH3+])(CC(=O)[O-])C2 223909304 573149219 /nfs/dbraw/zinc/14/92/19/573149219.db2.gz PTVGWDGPLOLDKF-FBIMIBRVSA-N 0 0 195.262 1.392 10 0 ADAERN Nc1ccc2c(c1)OCC[C@@H]2O 258541216 573149255 /nfs/dbraw/zinc/14/92/55/573149255.db2.gz OJYNEEIKXNRLIH-QMMMGPOBSA-N 0 0 165.192 1.085 10 0 ADAERN Cc1nc(Cl)ncc1CF 258539284 573149239 /nfs/dbraw/zinc/14/92/39/573149239.db2.gz OISFHQDXJLBOFJ-UHFFFAOYSA-N 0 0 160.579 1.908 10 0 ADAERN C[C@@H]1Cc2cccc(CO)c2N1C 89209981 573149244 /nfs/dbraw/zinc/14/92/44/573149244.db2.gz LMUIHWHYGOZNJK-MRVPVSSYSA-N 0 0 177.247 1.560 10 0 ADAERN Nc1nccc2c(F)cccc12 123727714 573149248 /nfs/dbraw/zinc/14/92/48/573149248.db2.gz BMEWVYPBYVDAJS-UHFFFAOYSA-N 0 0 162.167 1.956 10 0 ADAERN CCCC[NH2+]CC(C)(C)CC(=O)[O-] 258551764 573149249 /nfs/dbraw/zinc/14/92/49/573149249.db2.gz AONDBXWQEVPBJA-UHFFFAOYSA-N 0 0 187.283 1.877 10 0 ADAERN CO[C@@H](C)CCN[C@@H](C)C(F)(F)F 308504107 573149280 /nfs/dbraw/zinc/14/92/80/573149280.db2.gz YJUZTFKLDPGXDZ-BQBZGAKWSA-N 0 0 199.216 1.952 10 0 ADAERN Nc1ncc(-c2ccco2)c(=O)[nH]1 258539637 573149324 /nfs/dbraw/zinc/14/93/24/573149324.db2.gz NHNGOVKFBIKRBF-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN CC/C=C/C(=O)OC[C@H]1CCCO1 308287767 573149328 /nfs/dbraw/zinc/14/93/28/573149328.db2.gz CSNNKOYLNQRFPW-BSPAPZMXSA-N 0 0 184.235 1.675 10 0 ADAERN CNc1cc(C)c(C(=O)OC)cc1N 114948172 573149333 /nfs/dbraw/zinc/14/93/33/573149333.db2.gz XCQWRMHWLUCBTM-UHFFFAOYSA-N 0 0 194.234 1.406 10 0 ADAERN CCc1c(C)nc(Cl)nc1N 238292260 573149358 /nfs/dbraw/zinc/14/93/58/573149358.db2.gz YLPGNDRSHQLJOS-UHFFFAOYSA-N 0 0 171.631 1.583 10 0 ADAERN CC[C@H](C)C(=O)OCCCC(C)=O 308287551 573149405 /nfs/dbraw/zinc/14/94/05/573149405.db2.gz FFEFMNKFHSZQTC-QMMMGPOBSA-N 0 0 186.251 1.945 10 0 ADAERN CC[C@@H]1O[C@H](C)[C@@H](C)[C@@H]1O 238292171 573149420 /nfs/dbraw/zinc/14/94/20/573149420.db2.gz LREHAFZKAHXHHO-NGJRWZKOSA-N 0 0 144.214 1.181 10 0 ADAERN C[C@H]([NH3+])c1cccc(F)c1C(=O)[O-] 104668593 573149443 /nfs/dbraw/zinc/14/94/43/573149443.db2.gz QUFNHHKZFIVSHI-YFKPBYRVSA-N 0 0 183.182 1.544 10 0 ADAERN CCC(=O)[C@]1(C)O[C@H]1CC 238291886 573149445 /nfs/dbraw/zinc/14/94/45/573149445.db2.gz BUYUABVBMGCWND-YUMQZZPRSA-N 0 0 142.198 1.533 10 0 ADAERN OCc1cc(-c2ccccc2O)on1 259346179 573149447 /nfs/dbraw/zinc/14/94/47/573149447.db2.gz UCIKUFAAMHYCIJ-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CCN[C@H](C(=O)OC)[C@@H](C)C(C)C 308288113 573149449 /nfs/dbraw/zinc/14/94/49/573149449.db2.gz AJEPZOZOQJYLKN-IUCAKERBSA-N 0 0 187.283 1.430 10 0 ADAERN [O-]c1cnccc1[C@@H]1CCC[NH2+]1 104666342 573149479 /nfs/dbraw/zinc/14/94/79/573149479.db2.gz QJRWUTLXKODWMJ-QMMMGPOBSA-N 0 0 164.208 1.212 10 0 ADAERN Cc1cccc2c(C=O)onc12 258552560 573149489 /nfs/dbraw/zinc/14/94/89/573149489.db2.gz PNNSZCAXDPEBSR-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN Cc1cc(N)cc(=O)n1C(C)C 258541467 573149504 /nfs/dbraw/zinc/14/95/04/573149504.db2.gz OLZOZFMDKJJVMS-UHFFFAOYSA-N 0 0 166.224 1.320 10 0 ADAERN Cc1cc2n[nH]cc2nc1C 89219811 573149512 /nfs/dbraw/zinc/14/95/12/573149512.db2.gz UMXSKHRHAWVRGJ-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN CC(C)(C)n1ncc(N)c1F 259346289 573149527 /nfs/dbraw/zinc/14/95/27/573149527.db2.gz PHMVXNAHCPAJCB-UHFFFAOYSA-N 0 0 157.192 1.359 10 0 ADAERN C[C@H]1Cc2cccc(CO)c2N1C 89209986 573149566 /nfs/dbraw/zinc/14/95/66/573149566.db2.gz LMUIHWHYGOZNJK-QMMMGPOBSA-N 0 0 177.247 1.560 10 0 ADAERN CC(=O)[C@H](N)c1ccc(O)cc1F 104667801 573149577 /nfs/dbraw/zinc/14/95/77/573149577.db2.gz OVZHMHAPRYXGHQ-VIFPVBQESA-N 0 0 183.182 1.120 10 0 ADAERN CCc1csc2nc(NC)nn12 259343513 573149590 /nfs/dbraw/zinc/14/95/90/573149590.db2.gz VKQXSEJPCKDOGJ-UHFFFAOYSA-N 0 0 182.252 1.395 10 0 ADAERN CC[C@@H]1O[C@@H](O)C(F)(F)C1(F)F 238291354 573149597 /nfs/dbraw/zinc/14/95/97/573149597.db2.gz AAFUVSATGMMRCQ-IUYQGCFVSA-N 0 0 188.120 1.384 10 0 ADAERN OCc1ccc(C2(CO)CC2)cc1 259346558 573149601 /nfs/dbraw/zinc/14/96/01/573149601.db2.gz GCUJYVZVLTWJFA-UHFFFAOYSA-N 0 0 178.231 1.203 10 0 ADAERN CC(=O)CCC(=O)O[C@@]1(C)C[C@@H]1C 308288210 573149619 /nfs/dbraw/zinc/14/96/19/573149619.db2.gz FKQMRBGYTXBAON-XVKPBYJWSA-N 0 0 184.235 1.697 10 0 ADAERN Cc1[nH]c(=S)ccc1N 123724575 573149629 /nfs/dbraw/zinc/14/96/29/573149629.db2.gz SPGZKSKUNCSJGJ-UHFFFAOYSA-N 0 0 140.211 1.261 10 0 ADAERN COC[C@@H](C)C(=O)O[C@@H](C)C(C)C 308287726 573149630 /nfs/dbraw/zinc/14/96/30/573149630.db2.gz CQNQXQCRFNUHOE-BDAKNGLRSA-N 0 0 188.267 1.857 10 0 ADAERN C/C=C\C(=O)NC[C@@H](C)C(F)(F)F 308288734 573149637 /nfs/dbraw/zinc/14/96/37/573149637.db2.gz FSERLBWERYUAFH-KGJQDRRLSA-N 0 0 195.184 1.877 10 0 ADAERN CC(=O)[C@H](N)c1ncccc1Cl 104668761 573149643 /nfs/dbraw/zinc/14/96/43/573149643.db2.gz ANSMMLHJKJOUMZ-ZETCQYMHSA-N 0 0 184.626 1.324 10 0 ADAERN CC[C@@H]1O[C@@H]1C[C@@H]1CCCC1=O 238291744 573149644 /nfs/dbraw/zinc/14/96/44/573149644.db2.gz DOYVKYXJKKTKRR-UJNFCWOMSA-N 0 0 168.236 1.923 10 0 ADAERN OCc1cnc([C@H]2CCCS2)o1 257957054 573149657 /nfs/dbraw/zinc/14/96/57/573149657.db2.gz GBWIPHZXMPBYJD-SSDOTTSWSA-N 0 0 185.248 1.735 10 0 ADAERN CC(=O)[C@H](C)OC(=O)[C@@H]1CC1(C)C 308287390 573149711 /nfs/dbraw/zinc/14/97/11/573149711.db2.gz ZQTVJYCTPLSRRU-YUMQZZPRSA-N 0 0 184.235 1.553 10 0 ADAERN COCc1cccc2c(N)nccc12 123721124 573149713 /nfs/dbraw/zinc/14/97/13/573149713.db2.gz HSCCAXRWUDWKPY-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN CC[C@@]1(O)N=CNc2ccccc21 238292706 573149726 /nfs/dbraw/zinc/14/97/26/573149726.db2.gz KKRGGSNFOJHSDN-JTQLQIEISA-N 0 0 176.219 1.505 10 0 ADAERN CC[C@@H]1O[C@H]1CCC(C)=O 238292434 573149734 /nfs/dbraw/zinc/14/97/34/573149734.db2.gz POLHHRSBNNQTOR-YUMQZZPRSA-N 0 0 142.198 1.533 10 0 ADAERN CCc1noc(NC(C)=O)c1C 238292629 573149779 /nfs/dbraw/zinc/14/97/79/573149779.db2.gz RIMCBQFIVPYDGV-UHFFFAOYSA-N 0 0 168.196 1.504 10 0 ADAERN Nc1ncnc(C2CCCCCC2)n1 82665049 573149792 /nfs/dbraw/zinc/14/97/92/573149792.db2.gz XDGIRCYRDLQTPO-UHFFFAOYSA-N 0 0 192.266 1.892 10 0 ADAERN CC(C)(C)C[C@H](O)c1cncnc1 82673788 573149808 /nfs/dbraw/zinc/14/98/08/573149808.db2.gz WOMGOVIVVYIGAX-VIFPVBQESA-N 0 0 180.251 1.946 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(O)cc1C 104667793 573149882 /nfs/dbraw/zinc/14/98/82/573149882.db2.gz WQGLFYZNGPWLCS-SNVBAGLBSA-N 0 0 179.219 1.289 10 0 ADAERN OC[C@H](F)[C@@H]1CCSC1 258550997 573149883 /nfs/dbraw/zinc/14/98/83/573149883.db2.gz PKGZGVBDCVMNRJ-RITPCOANSA-N 0 0 150.218 1.070 10 0 ADAERN CC[C@H](C)OCn1nc(C)c(N)c1C 379485307 573149898 /nfs/dbraw/zinc/14/98/98/573149898.db2.gz APZRMVPXNUPTJI-ZETCQYMHSA-N 0 0 197.282 1.855 10 0 ADAERN CCO[C@H](O)SCC 238291386 573149930 /nfs/dbraw/zinc/14/99/30/573149930.db2.gz ZKYRHVGDBNQOBJ-YFKPBYRVSA-N 0 0 136.216 1.052 10 0 ADAERN C[NH+](C)[C@@H]1[C@@H](C(=O)[O-])CC1(C)C 238291452 573149939 /nfs/dbraw/zinc/14/99/39/573149939.db2.gz JRTKWKZTFGNZBH-NKWVEPMBSA-N 0 0 171.240 1.047 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]2C[C@@H]2C(=O)N1 258481926 573149942 /nfs/dbraw/zinc/14/99/42/573149942.db2.gz JGOAZIQJRVJBAG-FXQIFTODSA-N 0 0 167.252 1.557 10 0 ADAERN CNCC(F)(F)CC1CC1 258539072 573149952 /nfs/dbraw/zinc/14/99/52/573149952.db2.gz OFVAWDKDKUFJTK-UHFFFAOYSA-N 0 0 149.184 1.641 10 0 ADAERN CC/C=C\COC(=O)c1ccon1 308504358 573149968 /nfs/dbraw/zinc/14/99/68/573149968.db2.gz YJZKTAZVIGLIKC-ARJAWSKDSA-N 0 0 181.191 1.798 10 0 ADAERN Cc1cc(CO)cc(N)c1F 258539335 573149992 /nfs/dbraw/zinc/14/99/92/573149992.db2.gz OJIGJPWOHSWCCV-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN Nc1ccc2c(c1)OCC[C@H]2O 258541212 573150008 /nfs/dbraw/zinc/15/00/08/573150008.db2.gz OJYNEEIKXNRLIH-MRVPVSSYSA-N 0 0 165.192 1.085 10 0 ADAERN OC[C@H](F)[C@H]1CCSC1 258551005 573150013 /nfs/dbraw/zinc/15/00/13/573150013.db2.gz PKGZGVBDCVMNRJ-WDSKDSINSA-N 0 0 150.218 1.070 10 0 ADAERN C/C=C/C(=O)NC[C@@H](C)C(F)(F)F 308288733 573150016 /nfs/dbraw/zinc/15/00/16/573150016.db2.gz FSERLBWERYUAFH-FCJGRKLLSA-N 0 0 195.184 1.877 10 0 ADAERN CC[C@@H]1O[C@@H]([C@@H](C)O)C1(C)C 238291468 573150029 /nfs/dbraw/zinc/15/00/29/573150029.db2.gz OLGRKTAOJCCVMN-CSMHCCOUSA-N 0 0 158.241 1.571 10 0 ADAERN CCCOC(=O)Nc1cnn(CC)c1 308504309 573150050 /nfs/dbraw/zinc/15/00/50/573150050.db2.gz YCWUJQBYUPZGDZ-UHFFFAOYSA-N 0 0 197.238 1.862 10 0 ADAERN CC(C)(C)C[C@@H](O)[C@H]1CCOC1 82673738 573150078 /nfs/dbraw/zinc/15/00/78/573150078.db2.gz HOIIAHXMKREHDV-DTWKUNHWSA-N 0 0 172.268 1.820 10 0 ADAERN COC[C@H](C)C[C@H](NN)c1ccc[nH]1 308503879 573150097 /nfs/dbraw/zinc/15/00/97/573150097.db2.gz XXFBMQILJDAOLW-SCZZXKLOSA-N 0 0 197.282 1.192 10 0 ADAERN CO[C@H]1c2ccccc2CC[C@H]1O 223914691 573150128 /nfs/dbraw/zinc/15/01/28/573150128.db2.gz XVWPDJHXCBAMPF-MNOVXSKESA-N 0 0 178.231 1.681 10 0 ADAERN CC(C)[C@@H](C)CNN1CCN(C)CC1 308504779 573150162 /nfs/dbraw/zinc/15/01/62/573150162.db2.gz CYVJBXUZHRPAPG-NSHDSACASA-N 0 0 199.342 1.031 10 0 ADAERN CCC(=O)O[C@H]1CCCC[C@H]1OC 308288740 573150183 /nfs/dbraw/zinc/15/01/83/573150183.db2.gz FSKJUSJFWDRVDP-BDAKNGLRSA-N 0 0 186.251 1.897 10 0 ADAERN CC(C)(C)Cc1nsc(N)n1 82673456 573150224 /nfs/dbraw/zinc/15/02/24/573150224.db2.gz CPYJBUFJPGGGKZ-UHFFFAOYSA-N 0 0 171.269 1.709 10 0 ADAERN Oc1cccc2c1NC[C@H]2F 258550930 573150241 /nfs/dbraw/zinc/15/02/41/573150241.db2.gz PJKQOFBOIVEKRM-ZCFIWIBFSA-N 0 0 153.156 1.828 10 0 ADAERN CCO[C@H]1C=CCC[C@H]1CO 238292709 573150243 /nfs/dbraw/zinc/15/02/43/573150243.db2.gz SRYFDEKMPLIAGV-IUCAKERBSA-N 0 0 156.225 1.350 10 0 ADAERN OC[C@H](F)[C@@H]1CCCS1 258539149 573150249 /nfs/dbraw/zinc/15/02/49/573150249.db2.gz OGQZMVGRXCTTAN-WDSKDSINSA-N 0 0 150.218 1.212 10 0 ADAERN CC(=O)[C@H](N)c1ccc(C)c(N)c1 104666676 573150274 /nfs/dbraw/zinc/15/02/74/573150274.db2.gz JTIMZHKUIGPDEA-JTQLQIEISA-N 0 0 178.235 1.166 10 0 ADAERN Clc1ncnnc1-c1ccncc1 259347299 573150277 /nfs/dbraw/zinc/15/02/77/573150277.db2.gz VOUODOHHITURQQ-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN CCn1c(=O)cc(C=O)[nH]c1=S 238292546 573150301 /nfs/dbraw/zinc/15/03/01/573150301.db2.gz LZQXEMSUMKGBMQ-UHFFFAOYSA-N 0 0 184.220 1.151 10 0 ADAERN CC[C@@H]1O[C@@]12CCCCC2=O 238291990 573150315 /nfs/dbraw/zinc/15/03/15/573150315.db2.gz YVNQPSDHVPBUDW-DTWKUNHWSA-N 0 0 154.209 1.677 10 0 ADAERN C[C@@H](CO)CN(C)C(=O)CCC1CC1 688755598 573150316 /nfs/dbraw/zinc/15/03/16/573150316.db2.gz PLWMKDRSQSYKPZ-SECBINFHSA-N 0 0 199.294 1.263 10 0 ADAERN Cc1nnn(C2CCCC2)c1N 258550819 573150381 /nfs/dbraw/zinc/15/03/81/573150381.db2.gz PIVVYVITNUILTP-UHFFFAOYSA-N 0 0 166.228 1.284 10 0 ADAERN CC[C@@H]1O[C@H]1C(=O)CC(C)C 238292344 573150324 /nfs/dbraw/zinc/15/03/24/573150324.db2.gz ZTRHKEBEPLRQQA-IUCAKERBSA-N 0 0 156.225 1.779 10 0 ADAERN CC/C=C\C(=O)OC[C@H]1CCCO1 308287769 573150334 /nfs/dbraw/zinc/15/03/34/573150334.db2.gz CSNNKOYLNQRFPW-JVBZPZKUSA-N 0 0 184.235 1.675 10 0 ADAERN CSCc1nc(N)nc(C(C)C)n1 82664873 573150337 /nfs/dbraw/zinc/15/03/37/573150337.db2.gz FKSZKXDENCEAJW-UHFFFAOYSA-N 0 0 198.295 1.440 10 0 ADAERN CN1CCC[C@](C)(CCCO)C1=O 238292676 573150429 /nfs/dbraw/zinc/15/04/29/573150429.db2.gz ZMCDEQBZDBTKHJ-SNVBAGLBSA-N 0 0 185.267 1.017 10 0 ADAERN COc1ccc(C)cc1N(C)C#N 259348571 573150433 /nfs/dbraw/zinc/15/04/33/573150433.db2.gz SXAOKPOQPSBVIU-UHFFFAOYSA-N 0 0 176.219 1.921 10 0 ADAERN CN(C)Cc1nccc(Cl)n1 85792332 573150437 /nfs/dbraw/zinc/15/04/37/573150437.db2.gz DQIWILIMUSWONS-UHFFFAOYSA-N 0 0 171.631 1.192 10 0 ADAERN [O-]c1cnccc1[C@H]1CCC[NH2+]1 104666346 573150441 /nfs/dbraw/zinc/15/04/41/573150441.db2.gz QJRWUTLXKODWMJ-MRVPVSSYSA-N 0 0 164.208 1.212 10 0 ADAERN C[C@H](O)[C@@H]([NH3+])c1ccccc1[S-] 104668840 573150496 /nfs/dbraw/zinc/15/04/96/573150496.db2.gz JOZXQJUTGMOFLA-IMTBSYHQSA-N 0 0 183.276 1.356 10 0 ADAERN COC[C@H](C)C(=O)O[C@@H](C)C(C)C 308287729 573150595 /nfs/dbraw/zinc/15/05/95/573150595.db2.gz CQNQXQCRFNUHOE-IUCAKERBSA-N 0 0 188.267 1.857 10 0 ADAERN CCc1[nH]c(C[NH3+])nc1C(C)C 258541263 573150517 /nfs/dbraw/zinc/15/05/17/573150517.db2.gz OKCJTNRVHUTHIP-UHFFFAOYSA-N 0 0 167.256 1.554 10 0 ADAERN CCc1c(C)nc(=N)n(C)c1C 238292284 573150539 /nfs/dbraw/zinc/15/05/39/573150539.db2.gz PIFZKHDWAJGZIM-UHFFFAOYSA-N 0 0 165.240 1.444 10 0 ADAERN CNc1nc(CC(C)(C)C)no1 82674973 573150540 /nfs/dbraw/zinc/15/05/40/573150540.db2.gz LZDMFLFFIGGIDF-UHFFFAOYSA-N 0 0 169.228 1.700 10 0 ADAERN CC(C)(C)OC(=O)c1ccon1 82671119 573150567 /nfs/dbraw/zinc/15/05/67/573150567.db2.gz KHJGHAZCVRKYML-UHFFFAOYSA-N 0 0 169.180 1.630 10 0 ADAERN CCc1occc1[C@@H](N)C(C)=O 104668791 573150624 /nfs/dbraw/zinc/15/06/24/573150624.db2.gz PATWYPFUYOLZBU-VIFPVBQESA-N 0 0 167.208 1.431 10 0 ADAERN C/C=C/C(=O)NC[C@H](C)C(F)(F)F 308288736 573150660 /nfs/dbraw/zinc/15/06/60/573150660.db2.gz FSERLBWERYUAFH-YUDCMIJISA-N 0 0 195.184 1.877 10 0 ADAERN NNCc1nc(-c2cc[nH]c2)cs1 259347708 573150662 /nfs/dbraw/zinc/15/06/62/573150662.db2.gz RHUOHEHDYFBCDY-UHFFFAOYSA-N 0 0 194.263 1.102 10 0 ADAERN CC(=O)[C@@H](N)c1cccc(Cl)n1 104668770 573150667 /nfs/dbraw/zinc/15/06/67/573150667.db2.gz RBDXTGGBCKZQJI-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN CCC(=O)O[C@@H]1CCCC[C@@H]1OC 308288741 573150676 /nfs/dbraw/zinc/15/06/76/573150676.db2.gz FSKJUSJFWDRVDP-DTWKUNHWSA-N 0 0 186.251 1.897 10 0 ADAERN CC(=O)CCC(=O)O[C@]1(C)C[C@H]1C 308288203 573150688 /nfs/dbraw/zinc/15/06/88/573150688.db2.gz FKQMRBGYTXBAON-GMSGAONNSA-N 0 0 184.235 1.697 10 0 ADAERN CC(CF)(CF)c1cc(N)no1 115038154 573150693 /nfs/dbraw/zinc/15/06/93/573150693.db2.gz SLWGGQNYWSTIOT-UHFFFAOYSA-N 0 0 176.166 1.454 10 0 ADAERN Oc1ccc([C@@H]2CCON2)cc1 258539183 573150695 /nfs/dbraw/zinc/15/06/95/573150695.db2.gz OGXKHQCPXFTTNW-VIFPVBQESA-N 0 0 165.192 1.358 10 0 ADAERN COC(=O)c1cc2c([nH]1)CC[C@@H]2C 115010251 573150707 /nfs/dbraw/zinc/15/07/07/573150707.db2.gz KXGQWZDQXDPHJQ-LURJTMIESA-N 0 0 179.219 1.851 10 0 ADAERN CCN[C@H](C(=O)OC)[C@H](C)C(C)C 308288108 573150711 /nfs/dbraw/zinc/15/07/11/573150711.db2.gz AJEPZOZOQJYLKN-BDAKNGLRSA-N 0 0 187.283 1.430 10 0 ADAERN CCOC(=O)c1cc2nc[nH]c2[nH]1 238292766 573150713 /nfs/dbraw/zinc/15/07/13/573150713.db2.gz GRVAJRPYXSPZHC-UHFFFAOYSA-N 0 0 179.179 1.068 10 0 ADAERN [NH3+][C@H]1CCOc2ccc([S-])cc21 104668999 573150718 /nfs/dbraw/zinc/15/07/18/573150718.db2.gz XSFFTKKLXUHSKR-QMMMGPOBSA-N 0 0 181.260 1.758 10 0 ADAERN Cc1c(N)nc(CC(C)(C)C)[nH]c1=O 82673440 573150731 /nfs/dbraw/zinc/15/07/31/573150731.db2.gz JSRFOEAPDTZPFF-UHFFFAOYSA-N 0 0 195.266 1.249 10 0 ADAERN CC/C=C/COC(=O)c1csnn1 308504525 573150762 /nfs/dbraw/zinc/15/07/62/573150762.db2.gz YOCZAYIMMXVDFA-ONEGZZNKSA-N 0 0 198.247 1.661 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1CCCOC1 82671041 573150779 /nfs/dbraw/zinc/15/07/79/573150779.db2.gz KANKYZSAXCWWMD-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN CCCCOCC(=O)OC1CCC1 308504536 573150793 /nfs/dbraw/zinc/15/07/93/573150793.db2.gz YOKFAKWPLDJZSC-UHFFFAOYSA-N 0 0 186.251 1.899 10 0 ADAERN CCO[C@H](SCC)C(C)=O 238292104 573151361 /nfs/dbraw/zinc/15/13/61/573151361.db2.gz VSGKFRSPFQSVCO-SSDOTTSWSA-N 0 0 162.254 1.691 10 0 ADAERN CC[N@@H+]1CCC[C@@H]1C/C=C\C(=O)[O-] 258236058 573151330 /nfs/dbraw/zinc/15/13/30/573151330.db2.gz PRPVARMIWHPJCC-XGLGWPIMSA-N 0 0 183.251 1.502 10 0 ADAERN [NH3+][C@H]1CCc2ccc([S-])cc21 104668161 573151332 /nfs/dbraw/zinc/15/13/32/573151332.db2.gz RUODCVPEUZIAEQ-VIFPVBQESA-N 0 0 165.261 1.921 10 0 ADAERN C/C=C\C(=O)NC[C@H](C)C(F)(F)F 308288735 573151344 /nfs/dbraw/zinc/15/13/44/573151344.db2.gz FSERLBWERYUAFH-SYDCGGLASA-N 0 0 195.184 1.877 10 0 ADAERN CC[C@@H]1O[C@]1(C)C(C)=O 238292667 573151371 /nfs/dbraw/zinc/15/13/71/573151371.db2.gz LOIWVMGUZNEMED-NKWVEPMBSA-N 0 0 128.171 1.143 10 0 ADAERN CC[C@]1(C)c2ccccc2C(=O)[C@H]1O 238291320 573151391 /nfs/dbraw/zinc/15/13/91/573151391.db2.gz IXKHVWKJTZXXJA-VXGBXAGGSA-N 0 0 190.242 1.912 10 0 ADAERN C/C=C/CC[C@@H](O)OCC 238291314 573151425 /nfs/dbraw/zinc/15/14/25/573151425.db2.gz BAMLXGYYJDRXNL-WGAJWPLOSA-N 0 0 144.214 1.698 10 0 ADAERN C[C@H]([NH3+])c1cscc1C(=O)[O-] 104668608 573151433 /nfs/dbraw/zinc/15/14/33/573151433.db2.gz VHVNUTPCGWJZSO-BYPYZUCNSA-N 0 0 171.221 1.466 10 0 ADAERN Cn1nc(C[C@H]2CCSC2)cc1N 259345538 573151434 /nfs/dbraw/zinc/15/14/34/573151434.db2.gz UAGBLVXQUZZDEY-SSDOTTSWSA-N 0 0 197.307 1.298 10 0 ADAERN CC(C)(C)C[C@@H](O)c1cncnc1 82673790 573152512 /nfs/dbraw/zinc/15/25/12/573152512.db2.gz WOMGOVIVVYIGAX-SECBINFHSA-N 0 0 180.251 1.946 10 0 ADAERN CCc1c(C)nnc(N)c1C 238292630 573152513 /nfs/dbraw/zinc/15/25/13/573152513.db2.gz ZSAFZFGFOLMUBK-UHFFFAOYSA-N 0 0 151.213 1.238 10 0 ADAERN CC/C=C/COC(=O)c1ccon1 308504359 573151454 /nfs/dbraw/zinc/15/14/54/573151454.db2.gz YJZKTAZVIGLIKC-ONEGZZNKSA-N 0 0 181.191 1.798 10 0 ADAERN CC[C@@H](C)c1nc(N)nc(C2CC2)n1 82664883 573151457 /nfs/dbraw/zinc/15/14/57/573151457.db2.gz UGEBPSIVUPHXKE-ZCFIWIBFSA-N 0 0 192.266 1.845 10 0 ADAERN COc1cc(C)cc(OC)c1C(N)=O 115009528 573151466 /nfs/dbraw/zinc/15/14/66/573151466.db2.gz RGEKKKOYAIJETI-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN CC[C@@H](C)NC1=C(Cl)C(=O)OC1 238292338 573151485 /nfs/dbraw/zinc/15/14/85/573151485.db2.gz KRJIKTVZHVFZBX-RXMQYKEDSA-N 0 0 189.642 1.382 10 0 ADAERN COC[C@@H](C)C(=O)O[C@H](C)C(C)C 308287730 573151486 /nfs/dbraw/zinc/15/14/86/573151486.db2.gz CQNQXQCRFNUHOE-RKDXNWHRSA-N 0 0 188.267 1.857 10 0 ADAERN CC(=O)[C@H](F)[C@H]1CCSC1 258481894 573151503 /nfs/dbraw/zinc/15/15/03/573151503.db2.gz JEVPYFYCINRRJC-BQBZGAKWSA-N 0 0 162.229 1.667 10 0 ADAERN COC(=O)[C@@H](CC(C)C)C(=O)C1CC1 379490312 573151514 /nfs/dbraw/zinc/15/15/14/573151514.db2.gz PDZZNEJJGRTJGI-VIFPVBQESA-N 0 0 198.262 1.801 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]2CCC[C@@H]21 238291377 573151530 /nfs/dbraw/zinc/15/15/30/573151530.db2.gz NXBBYICKNIMYKA-NRPADANISA-N 0 0 167.252 1.701 10 0 ADAERN OCc1cnc(C[C@@H]2CCCOC2)o1 257957074 573151532 /nfs/dbraw/zinc/15/15/32/573151532.db2.gz GCASHBAKWSNNMO-QMMMGPOBSA-N 0 0 197.234 1.136 10 0 ADAERN CC(C)[C@@H](C)C[NH+]1CC(CC(=O)[O-])C1 308504796 573151586 /nfs/dbraw/zinc/15/15/86/573151586.db2.gz CZZKVEBMHFUWLA-VIFPVBQESA-N 0 0 199.294 1.685 10 0 ADAERN CCCC1([C@@H](C)O)COC1 115027647 573151588 /nfs/dbraw/zinc/15/15/88/573151588.db2.gz SSUMLUAVDYGXMN-SSDOTTSWSA-N 0 0 144.214 1.184 10 0 ADAERN CC=CC(=O)N[C@@H](C)c1cc[nH]n1 308288430 573151589 /nfs/dbraw/zinc/15/15/89/573151589.db2.gz FNPRMUOLSLDDOP-AVALRIAPSA-N 0 0 179.223 1.163 10 0 ADAERN CC(=O)[C@H](F)[C@@H]1CCSC1 258481897 573151596 /nfs/dbraw/zinc/15/15/96/573151596.db2.gz JEVPYFYCINRRJC-RQJHMYQMSA-N 0 0 162.229 1.667 10 0 ADAERN C[NH2+][C@H](c1cnn[n-]1)[C@@H](C)CC(C)C 308503865 573151598 /nfs/dbraw/zinc/15/15/98/573151598.db2.gz XWXAHUSPXOZNMG-WPRPVWTQSA-N 0 0 196.298 1.747 10 0 ADAERN CCOC(=O)Nc1cccnn1 115029346 573151662 /nfs/dbraw/zinc/15/16/62/573151662.db2.gz KHQBKSLZMRGLFB-UHFFFAOYSA-N 0 0 167.168 1.045 10 0 ADAERN CC(=O)[C@H](N)c1ccc(O)cc1C 104667797 573151650 /nfs/dbraw/zinc/15/16/50/573151650.db2.gz WQGLFYZNGPWLCS-JTQLQIEISA-N 0 0 179.219 1.289 10 0 ADAERN CCc1ccc2c(=O)cc(C)[nH]c2n1 238291491 573151706 /nfs/dbraw/zinc/15/17/06/573151706.db2.gz APYRELXHMMJHHD-UHFFFAOYSA-N 0 0 188.230 1.794 10 0 ADAERN O=C(c1ccccc1)c1cnoc1 115057084 573151708 /nfs/dbraw/zinc/15/17/08/573151708.db2.gz FGGUUGIYSOGQED-UHFFFAOYSA-N 0 0 173.171 1.906 10 0 ADAERN C[C@@H](N)c1nc(CC(C)(C)C)no1 82673284 573151716 /nfs/dbraw/zinc/15/17/16/573151716.db2.gz GGVKTPMEVYYPIF-ZCFIWIBFSA-N 0 0 183.255 1.678 10 0 ADAERN CCc1c(C)ccn1CCO 238291892 573152525 /nfs/dbraw/zinc/15/25/25/573152525.db2.gz LLWRFQKABYMQDH-UHFFFAOYSA-N 0 0 153.225 1.351 10 0 ADAERN CC(C)[C@H](C)C[NH+]1CC(CC(=O)[O-])C1 308504795 573151740 /nfs/dbraw/zinc/15/17/40/573151740.db2.gz CZZKVEBMHFUWLA-SECBINFHSA-N 0 0 199.294 1.685 10 0 ADAERN [NH3+][C@@H]1CCc2cc([S-])ccc21 104667118 573151741 /nfs/dbraw/zinc/15/17/41/573151741.db2.gz AWTOLIAGWKNAII-SECBINFHSA-N 0 0 165.261 1.921 10 0 ADAERN Nc1ncc2c(n1)CCc1occc1-2 115036567 573151752 /nfs/dbraw/zinc/15/17/52/573151752.db2.gz MENUZWMGZFPARC-UHFFFAOYSA-N 0 0 187.202 1.417 10 0 ADAERN CCn1c(N)nnc1-c1ccco1 238292309 573151766 /nfs/dbraw/zinc/15/17/66/573151766.db2.gz YUMNUTONFGEHNV-UHFFFAOYSA-N 0 0 178.195 1.140 10 0 ADAERN NC(=O)Nc1ccc(N)c(Cl)c1 123723858 573151776 /nfs/dbraw/zinc/15/17/76/573151776.db2.gz JKTQGCBWOBXDCV-UHFFFAOYSA-N 0 0 185.614 1.413 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])C1CCC1 104668010 573151793 /nfs/dbraw/zinc/15/17/93/573151793.db2.gz YPJBZGRSMMVXAQ-ZETCQYMHSA-N 0 0 171.240 1.225 10 0 ADAERN CCc1noc2c1CC(=O)C[C@H]2C 238292741 573151794 /nfs/dbraw/zinc/15/17/94/573151794.db2.gz IVXPVHXMAZNBQR-ZCFIWIBFSA-N 0 0 179.219 1.856 10 0 ADAERN CC(C)[C@@H](NN)c1ncnn1C(C)C 308504217 573151837 /nfs/dbraw/zinc/15/18/37/573151837.db2.gz XXRODMNBQMPWOI-MRVPVSSYSA-N 0 0 197.286 1.019 10 0 ADAERN CC[C@@H]1O[C@H]1C[C@@H]1CCCC1=O 238292542 573151838 /nfs/dbraw/zinc/15/18/38/573151838.db2.gz DOYVKYXJKKTKRR-HGNGGELXSA-N 0 0 168.236 1.923 10 0 ADAERN CC[C@@H]1O[C@H](O)C(F)(F)C1(F)F 238292246 573151850 /nfs/dbraw/zinc/15/18/50/573151850.db2.gz AAFUVSATGMMRCQ-IMJSIDKUSA-N 0 0 188.120 1.384 10 0 ADAERN CCS[C@H](OC)C(C)=O 238291387 573151857 /nfs/dbraw/zinc/15/18/57/573151857.db2.gz NRRACERPCZYXJL-LURJTMIESA-N 0 0 148.227 1.301 10 0 ADAERN CCN[C@@H](C(=O)OC)[C@@H](C)C(C)C 308288111 573151863 /nfs/dbraw/zinc/15/18/63/573151863.db2.gz AJEPZOZOQJYLKN-DTWKUNHWSA-N 0 0 187.283 1.430 10 0 ADAERN CC(C)Cc1ccc(N)nc1 82669187 573151934 /nfs/dbraw/zinc/15/19/34/573151934.db2.gz LESHSGDLCASWOH-UHFFFAOYSA-N 0 0 150.225 1.862 10 0 ADAERN CC[C@@](C)(Cl)CCO 238291874 573151945 /nfs/dbraw/zinc/15/19/45/573151945.db2.gz ZHWYVJNXFLODBK-ZCFIWIBFSA-N 0 0 136.622 1.776 10 0 ADAERN O=C([O-])c1ccc([C@@H]2CC[NH2+]2)o1 104666110 573151979 /nfs/dbraw/zinc/15/19/79/573151979.db2.gz MEEDGJRYNOCOBF-YFKPBYRVSA-N 0 0 167.164 1.012 10 0 ADAERN CCc1cc(=O)[nH]c(CC(C)(C)C)n1 82673459 573152538 /nfs/dbraw/zinc/15/25/38/573152538.db2.gz RDTIUXZUVCYZAK-UHFFFAOYSA-N 0 0 194.278 1.921 10 0 ADAERN OC[C@@H](F)C[C@H]1CCCS1 258543883 573152016 /nfs/dbraw/zinc/15/20/16/573152016.db2.gz ORFCHBAMLMCANX-NKWVEPMBSA-N 0 0 164.245 1.603 10 0 ADAERN C/C=C(\Cl)[C@@H](O)COCC 238292064 573152021 /nfs/dbraw/zinc/15/20/21/573152021.db2.gz LXQITSMLUFGUNP-NFNQMPKISA-N 0 0 164.632 1.526 10 0 ADAERN OC[C@@H]1Cc2cc(O)ccc21 258554419 573152095 /nfs/dbraw/zinc/15/20/95/573152095.db2.gz PRFAFWCCTCQCCL-ZETCQYMHSA-N 0 0 150.177 1.024 10 0 ADAERN Cc1cccc2c1C[C@@H]2CO 258543963 573152102 /nfs/dbraw/zinc/15/21/02/573152102.db2.gz OTKOTQJWQMPNNT-MRVPVSSYSA-N 0 0 148.205 1.627 10 0 ADAERN CCS[C@H](N)C(F)(F)F 238291228 573152106 /nfs/dbraw/zinc/15/21/06/573152106.db2.gz VRWSJFPYANELEG-VKHMYHEASA-N 0 0 159.176 1.587 10 0 ADAERN C[NH+](C)[C@@H]1[C@H](C(=O)[O-])CC1(C)C 238291601 573152112 /nfs/dbraw/zinc/15/21/12/573152112.db2.gz JRTKWKZTFGNZBH-RNFRBKRXSA-N 0 0 171.240 1.047 10 0 ADAERN CN(C(=S)NC=O)c1ccccc1 238292126 573152118 /nfs/dbraw/zinc/15/21/18/573152118.db2.gz DJLTZVQBGCUOFJ-UHFFFAOYSA-N 0 0 194.259 1.154 10 0 ADAERN CCO[C@H](O)COCc1ccccc1 238291362 573152546 /nfs/dbraw/zinc/15/25/46/573152546.db2.gz ASQOBMKCARQBMK-NSHDSACASA-N 0 0 196.246 1.558 10 0 ADAERN C/C=C(\C)[C@@H](O)[C@@](C)(O)CC 238291529 573152126 /nfs/dbraw/zinc/15/21/26/573152126.db2.gz FWHIUPKYMSLYQQ-FQDVODHFSA-N 0 0 158.241 1.475 10 0 ADAERN CCc1ccc([C@H]([NH3+])[C@@H](O)C(C)C)o1 393658432 573152133 /nfs/dbraw/zinc/15/21/33/573152133.db2.gz OSYNKRDFJSZQHN-QWRGUYRKSA-N 0 0 197.278 1.859 10 0 ADAERN Cc1ccc(N[C@@H](C)O)cc1 115008708 573152547 /nfs/dbraw/zinc/15/25/47/573152547.db2.gz DEFNJVVPQMVSLE-MRVPVSSYSA-N 0 0 151.209 1.745 10 0 ADAERN Cc1ccncc1C(=O)CN(C)C 85793171 573152151 /nfs/dbraw/zinc/15/21/51/573152151.db2.gz QGKUXGQGLKLIJE-UHFFFAOYSA-N 0 0 178.235 1.134 10 0 ADAERN CC(=O)[C@@H](N)c1ncccc1Cl 104668765 573152157 /nfs/dbraw/zinc/15/21/57/573152157.db2.gz ANSMMLHJKJOUMZ-SSDOTTSWSA-N 0 0 184.626 1.324 10 0 ADAERN NNCC/C=C\c1ccccc1 225365221 573152176 /nfs/dbraw/zinc/15/21/76/573152176.db2.gz WZRRIVOKHSQROV-YWEYNIOJSA-N 0 0 162.236 1.553 10 0 ADAERN O=C([O-])c1ccc([C@@H]2CC[NH2+]2)s1 104668604 573152188 /nfs/dbraw/zinc/15/21/88/573152188.db2.gz PLVHZBGNICJRHH-YFKPBYRVSA-N 0 0 183.232 1.481 10 0 ADAERN C[C@H](O)[C@H](F)[C@@H]1CCCS1 258554473 573152200 /nfs/dbraw/zinc/15/22/00/573152200.db2.gz PSUPMEQWFLLUKV-ACZMJKKPSA-N 0 0 164.245 1.601 10 0 ADAERN Cc1[nH]c(-c2ccncc2)cc1CO 259347328 573152201 /nfs/dbraw/zinc/15/22/01/573152201.db2.gz VPILSIFOMSCETE-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN CCO[C@H]1C(=O)c2ccccc21 238292549 573152202 /nfs/dbraw/zinc/15/22/02/573152202.db2.gz UPLNQQFPHPZHFS-SNVBAGLBSA-N 0 0 162.188 1.961 10 0 ADAERN C[C@H](O)C(C)(C)Nc1ccncn1 123722889 573152207 /nfs/dbraw/zinc/15/22/07/573152207.db2.gz FNJXGBPNAPKEAV-ZETCQYMHSA-N 0 0 181.239 1.048 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)oc1C 104666711 573152221 /nfs/dbraw/zinc/15/22/21/573152221.db2.gz WLEKCGHIVACNTB-VIFPVBQESA-N 0 0 167.208 1.485 10 0 ADAERN C[C@@](N)(c1cccnc1)C(F)(F)F 82670835 573152222 /nfs/dbraw/zinc/15/22/22/573152222.db2.gz VDPUHNJWARYVAC-SSDOTTSWSA-N 0 0 190.168 1.818 10 0 ADAERN Cc1ncc2c(c1O)[C@H](N(C)C)OC2 238291388 573152240 /nfs/dbraw/zinc/15/22/40/573152240.db2.gz XSKBJVBUEYJYQT-SNVBAGLBSA-N 0 0 194.234 1.186 10 0 ADAERN CC[C@H]([NH3+])c1cccnc1C(=O)[O-] 104668513 573152243 /nfs/dbraw/zinc/15/22/43/573152243.db2.gz AKZXWYNVKMTSIW-ZETCQYMHSA-N 0 0 180.207 1.190 10 0 ADAERN COCC[C@](C)(N)C(F)(F)F 82670874 573152290 /nfs/dbraw/zinc/15/22/90/573152290.db2.gz FPUAYFACSHSRFG-YFKPBYRVSA-N 0 0 171.162 1.303 10 0 ADAERN CC[C@]1(C)c2ccccc2C(=O)[C@@H]1O 238291265 573152294 /nfs/dbraw/zinc/15/22/94/573152294.db2.gz IXKHVWKJTZXXJA-NWDGAFQWSA-N 0 0 190.242 1.912 10 0 ADAERN COCC(=O)C[C@H]1CC(C)(C)CO1 717165910 573152328 /nfs/dbraw/zinc/15/23/28/573152328.db2.gz ZZJDOPFGYYPBTG-VIFPVBQESA-N 0 0 186.251 1.407 10 0 ADAERN COCC[C@@](C)(N)C(F)(F)F 82670873 573152345 /nfs/dbraw/zinc/15/23/45/573152345.db2.gz FPUAYFACSHSRFG-RXMQYKEDSA-N 0 0 171.162 1.303 10 0 ADAERN C[C@@H](CC[NH2+]C(C)(C)C)C(=O)[O-] 258554879 573152496 /nfs/dbraw/zinc/15/24/96/573152496.db2.gz AYLGMANEVPDEQA-ZETCQYMHSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@](N)(c1ccncc1)C(F)(F)F 82670631 573152359 /nfs/dbraw/zinc/15/23/59/573152359.db2.gz WDAWZMIZEQEFBJ-ZETCQYMHSA-N 0 0 190.168 1.818 10 0 ADAERN Cc1cccc2cn[nH]c(=O)c12 115021762 573152372 /nfs/dbraw/zinc/15/23/72/573152372.db2.gz GNXAXTIOBXCSDE-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN CN(C)c1n[nH]c(-c2ccco2)n1 238292464 573152390 /nfs/dbraw/zinc/15/23/90/573152390.db2.gz YLOLYIQBIHNDPL-UHFFFAOYSA-N 0 0 178.195 1.131 10 0 ADAERN COC(=O)c1scc2[nH]c(C)nc12 115015853 573152409 /nfs/dbraw/zinc/15/24/09/573152409.db2.gz FIWCGDXWZCUTDH-UHFFFAOYSA-N 0 0 196.231 1.719 10 0 ADAERN CSCc1nc(N)nc(C2CC2)n1 82664959 573152500 /nfs/dbraw/zinc/15/25/00/573152500.db2.gz BYAHLJYQLVXLBS-UHFFFAOYSA-N 0 0 196.279 1.194 10 0 ADAERN Cn1nccc1C(=O)OC(C)(C)C 82671084 573152505 /nfs/dbraw/zinc/15/25/05/573152505.db2.gz CSLPEMIKROKTNG-UHFFFAOYSA-N 0 0 182.223 1.375 10 0 ADAERN CCOC(=O)c1cc2c(cnn2C)[nH]1 238292548 573152466 /nfs/dbraw/zinc/15/24/66/573152466.db2.gz PXOGVQYAJQCHCB-UHFFFAOYSA-N 0 0 193.206 1.078 10 0 ADAERN C[C@H](O)C[N@H+](C)C[C@H](C)C(F)(F)F 308283492 573152481 /nfs/dbraw/zinc/15/24/81/573152481.db2.gz XWFWOSYLIVNMRZ-BQBZGAKWSA-N 0 0 199.216 1.497 10 0 ADAERN CC[C@@H](C)Nc1cncnc1 89224123 573152484 /nfs/dbraw/zinc/15/24/84/573152484.db2.gz LNSNPASIVZEPQW-SSDOTTSWSA-N 0 0 151.213 1.687 10 0 ADAERN CC[C@H]([NH3+])c1cc(C(=O)[O-])ccn1 104666494 573152489 /nfs/dbraw/zinc/15/24/89/573152489.db2.gz JZQAKUIFPDOGOC-ZETCQYMHSA-N 0 0 180.207 1.190 10 0 ADAERN CCn1c(N)cn(C)c1=S 238291923 573152684 /nfs/dbraw/zinc/15/26/84/573152684.db2.gz FBVHISPYVUUGKV-UHFFFAOYSA-N 0 0 157.242 1.158 10 0 ADAERN Cc1cccc2c1C[C@H]2CO 258543966 573152695 /nfs/dbraw/zinc/15/26/95/573152695.db2.gz OTKOTQJWQMPNNT-QMMMGPOBSA-N 0 0 148.205 1.627 10 0 ADAERN CCO[C@H](O)c1ccncc1 238291817 573152718 /nfs/dbraw/zinc/15/27/18/573152718.db2.gz FSWKLHREZZPWME-QMMMGPOBSA-N 0 0 153.181 1.109 10 0 ADAERN CC[C@@H]1O[C@@]1(C)C(C)=O 238291900 573152736 /nfs/dbraw/zinc/15/27/36/573152736.db2.gz LOIWVMGUZNEMED-BQBZGAKWSA-N 0 0 128.171 1.143 10 0 ADAERN CC(C)[C@@H](C)CC(=O)N[C@@H](C)CO 308282235 573152764 /nfs/dbraw/zinc/15/27/64/573152764.db2.gz XKUGELHSHKUKOE-IUCAKERBSA-N 0 0 187.283 1.166 10 0 ADAERN CN(CC1CCC1)C(=O)[C@@H]1CCO1 308283297 573152784 /nfs/dbraw/zinc/15/27/84/573152784.db2.gz YWIHXQWBBVEIJL-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN CN1CCO[C@H](C(=O)C2CCCC2)C1 85792801 573152785 /nfs/dbraw/zinc/15/27/85/573152785.db2.gz ZMJBKXQDVXNXPQ-JTQLQIEISA-N 0 0 197.278 1.076 10 0 ADAERN CCOC(=O)/C=C(/C)NC(C)=S 238291788 573152786 /nfs/dbraw/zinc/15/27/86/573152786.db2.gz QRKDDDAIKCXORM-WAYWQWQTSA-N 0 0 187.264 1.390 10 0 ADAERN CC[C@@H]([NH+]1CC(O)C1)[Si](C)(C)C 238291973 573152805 /nfs/dbraw/zinc/15/28/05/573152805.db2.gz AYYJLDKASDRXLO-VIFPVBQESA-N 0 0 187.359 1.319 10 0 ADAERN CCC(CC)Nc1cc(C(N)=O)co1 308505859 573152813 /nfs/dbraw/zinc/15/28/13/573152813.db2.gz IOKURKCDIBFMQX-UHFFFAOYSA-N 0 0 196.250 1.979 10 0 ADAERN Cn1[nH]c(=O)cc1C1CCCC1 258542109 573152816 /nfs/dbraw/zinc/15/28/16/573152816.db2.gz OORFGRCYCYBLHU-UHFFFAOYSA-N 0 0 166.224 1.783 10 0 ADAERN CCc1nnc2ccc(C=O)c(C)n12 238291836 573152820 /nfs/dbraw/zinc/15/28/20/573152820.db2.gz YTIRNDHTLXWRNO-UHFFFAOYSA-N 0 0 189.218 1.413 10 0 ADAERN COC[C@@H]([NH3+])c1ccc([S-])cc1 104666991 573152852 /nfs/dbraw/zinc/15/28/52/573152852.db2.gz JIWSKVAIMMZZKG-SECBINFHSA-N 0 0 183.276 1.622 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)/C=C/C1CC1 308505757 573152926 /nfs/dbraw/zinc/15/29/26/573152926.db2.gz ZDOWHWIMZDHMIE-ROSGPLSXSA-N 0 0 179.263 1.867 10 0 ADAERN O=c1cc(Oc2ccccc2)cn[nH]1 115020742 573152929 /nfs/dbraw/zinc/15/29/29/573152929.db2.gz WQYKWCBFYFFXIB-UHFFFAOYSA-N 0 0 188.186 1.562 10 0 ADAERN COC(=O)[C@@H](C)N(C)CC[C@H](C)F 308288918 573152940 /nfs/dbraw/zinc/15/29/40/573152940.db2.gz CKAOHAXBRHIZMQ-JGVFFNPUSA-N 0 0 191.246 1.228 10 0 ADAERN CCc1c(C)sc(C)c1CC(N)=O 238292738 573152963 /nfs/dbraw/zinc/15/29/63/573152963.db2.gz KRKVRMWUXRZUCF-UHFFFAOYSA-N 0 0 197.303 1.955 10 0 ADAERN CC[C@@H]1O[C@@H]1CCC(C)=O 238291595 573152972 /nfs/dbraw/zinc/15/29/72/573152972.db2.gz POLHHRSBNNQTOR-JGVFFNPUSA-N 0 0 142.198 1.533 10 0 ADAERN C[C@@H](O)c1ccc2nnsc2c1 257954077 573152986 /nfs/dbraw/zinc/15/29/86/573152986.db2.gz GALFSSVLAKDMRK-RXMQYKEDSA-N 0 0 180.232 1.745 10 0 ADAERN CCC[C@@H](C)NC(=O)N[C@@H]1C[C@H]1C 393504249 573152988 /nfs/dbraw/zinc/15/29/88/573152988.db2.gz GZWWNMPQFKAKBN-IWSPIJDZSA-N 0 0 184.283 1.883 10 0 ADAERN C[C@H](O)[C@@H](F)[C@@H]1CCCS1 258554474 573153034 /nfs/dbraw/zinc/15/30/34/573153034.db2.gz PSUPMEQWFLLUKV-LYFYHCNISA-N 0 0 164.245 1.601 10 0 ADAERN Cc1nc(N)oc1C(C)(C)C 258554470 573153043 /nfs/dbraw/zinc/15/30/43/573153043.db2.gz PSSNHIVZQWDFQP-UHFFFAOYSA-N 0 0 154.213 1.863 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(O)cc1F 104667805 573153069 /nfs/dbraw/zinc/15/30/69/573153069.db2.gz OVZHMHAPRYXGHQ-SECBINFHSA-N 0 0 183.182 1.120 10 0 ADAERN C[C@H](CC[NH2+]C(C)(C)C)C(=O)[O-] 258554875 573153130 /nfs/dbraw/zinc/15/31/30/573153130.db2.gz AYLGMANEVPDEQA-SSDOTTSWSA-N 0 0 173.256 1.485 10 0 ADAERN OC[C@@H](F)C[C@@H]1CCCS1 258543880 573153159 /nfs/dbraw/zinc/15/31/59/573153159.db2.gz ORFCHBAMLMCANX-BQBZGAKWSA-N 0 0 164.245 1.603 10 0 ADAERN Cc1ccc(-c2nncc(N)n2)o1 259347246 573153145 /nfs/dbraw/zinc/15/31/45/573153145.db2.gz VOCIMZLZLSIHRH-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCO[C@H]([C@H](C)O)C(F)(F)F 238292346 573153147 /nfs/dbraw/zinc/15/31/47/573153147.db2.gz JWERRUQDGBONRM-CRCLSJGQSA-N 0 0 172.146 1.335 10 0 ADAERN COCCSc1ccc(N)c(C)n1 123724821 573153157 /nfs/dbraw/zinc/15/31/57/573153157.db2.gz KTXNCAFSXLKMKJ-UHFFFAOYSA-N 0 0 198.291 1.711 10 0 ADAERN CONC(=O)NCCC1CCCC1 308506889 573153177 /nfs/dbraw/zinc/15/31/77/573153177.db2.gz ZQYYFVKYTDIJRI-UHFFFAOYSA-N 0 0 186.255 1.427 10 0 ADAERN Cc1cc(C(=O)OC(C)(C)C)on1 82671116 573153191 /nfs/dbraw/zinc/15/31/91/573153191.db2.gz LZBZKLQSFHZJSJ-UHFFFAOYSA-N 0 0 183.207 1.938 10 0 ADAERN CC[C@H]([NH3+])c1cncc(C(=O)[O-])c1 104668703 573153198 /nfs/dbraw/zinc/15/31/98/573153198.db2.gz KTGOGEBNTRDQPN-QMMMGPOBSA-N 0 0 180.207 1.190 10 0 ADAERN CC(C)[C@@H](C)Nc1cncc(N)n1 82666550 573153200 /nfs/dbraw/zinc/15/32/00/573153200.db2.gz WANUXLYNUMHORF-SSDOTTSWSA-N 0 0 180.255 1.515 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(N)c(C)c1 104666662 573153210 /nfs/dbraw/zinc/15/32/10/573153210.db2.gz RAXXDDYCKZTXNO-SNVBAGLBSA-N 0 0 178.235 1.166 10 0 ADAERN CN(C)c1cccc2c1NCC2 258544110 573153270 /nfs/dbraw/zinc/15/32/70/573153270.db2.gz OVXDIHJQVDGOST-UHFFFAOYSA-N 0 0 162.236 1.721 10 0 ADAERN CCc1ccc2ccnn2c1 238292664 573153282 /nfs/dbraw/zinc/15/32/82/573153282.db2.gz IACKVNLIOHJENI-UHFFFAOYSA-N 0 0 146.193 1.897 10 0 ADAERN CCS[C@H]1CC[C@@H](O)OC1 238291786 573153759 /nfs/dbraw/zinc/15/37/59/573153759.db2.gz TVJBBKDDERGQNO-BQBZGAKWSA-N 0 0 162.254 1.237 10 0 ADAERN CC[C@]1(CO)C=CC2(CC1)OCCO2 238292024 573153290 /nfs/dbraw/zinc/15/32/90/573153290.db2.gz IRWYTLXEZJKYIR-JTQLQIEISA-N 0 0 198.262 1.468 10 0 ADAERN CC[C@](C)(OCl)C(C)=O 238292791 573153317 /nfs/dbraw/zinc/15/33/17/573153317.db2.gz CPXZNMRKNIRWKX-LURJTMIESA-N 0 0 150.605 1.915 10 0 ADAERN C[C@H](O)C(F)(F)C1CCC1 258481750 573153379 /nfs/dbraw/zinc/15/33/79/573153379.db2.gz JECMWNZMIMZECS-YFKPBYRVSA-N 0 0 150.168 1.803 10 0 ADAERN CC(C)C1(Cl)COC1 258542334 573153412 /nfs/dbraw/zinc/15/34/12/573153412.db2.gz JSVSZUQIHQASEQ-UHFFFAOYSA-N 0 0 134.606 1.650 10 0 ADAERN CCCCNc1cncnc1 89224128 573153422 /nfs/dbraw/zinc/15/34/22/573153422.db2.gz OVWPFTLWVBREOW-UHFFFAOYSA-N 0 0 151.213 1.689 10 0 ADAERN Nc1csc(-c2ccc[nH]2)n1 259348541 573153445 /nfs/dbraw/zinc/15/34/45/573153445.db2.gz PLIRJVDHNZQBJK-UHFFFAOYSA-N 0 0 165.221 1.720 10 0 ADAERN CC(=O)N(C)c1cc(N)c(C)cc1C 238292740 573153449 /nfs/dbraw/zinc/15/34/49/573153449.db2.gz WONMZMWALMRQFV-UHFFFAOYSA-N 0 0 192.262 1.868 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)/C=C\C1CC1 308505750 573153453 /nfs/dbraw/zinc/15/34/53/573153453.db2.gz ZDOWHWIMZDHMIE-KWMOZEJZSA-N 0 0 179.263 1.867 10 0 ADAERN COC(=O)c1cc(C)cc(O)c1N 115012575 573153479 /nfs/dbraw/zinc/15/34/79/573153479.db2.gz FYUOQRDKJZNYDE-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN CCO[C@H]([C@@H](C)O)C(F)(F)F 238292211 573153481 /nfs/dbraw/zinc/15/34/81/573153481.db2.gz JWERRUQDGBONRM-RFZPGFLSSA-N 0 0 172.146 1.335 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1CCCOC1 82671043 573153507 /nfs/dbraw/zinc/15/35/07/573153507.db2.gz KANKYZSAXCWWMD-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@@H]1[C@@H](N2C(=O)C=CC2=O)CC[C@H]1C 115058805 573153549 /nfs/dbraw/zinc/15/35/49/573153549.db2.gz AIWKSXNKWWKNEH-VGMNWLOBSA-N 0 0 193.246 1.346 10 0 ADAERN CC(C)[C@@H](O)CC(=O)OCCCF 308282923 573158012 /nfs/dbraw/zinc/15/80/12/573158012.db2.gz XRMCWWLFZKQHFO-QMMMGPOBSA-N 0 0 192.230 1.296 10 0 ADAERN CCOC(=O)C=C(C)Nc1cc[nH]n1 238291971 573153729 /nfs/dbraw/zinc/15/37/29/573153729.db2.gz JLQRFOWOLXQUBU-SREVYHEPSA-N 0 0 195.222 1.289 10 0 ADAERN CCc1noc(Br)n1 238292250 573153646 /nfs/dbraw/zinc/15/36/46/573153646.db2.gz GJDVFQPDKLYVMV-UHFFFAOYSA-N 0 0 177.001 1.395 10 0 ADAERN Cn1cnc(CNCC2(F)CCC2)c1 308505712 573153736 /nfs/dbraw/zinc/15/37/36/573153736.db2.gz DXJJKNJJQKTBCV-UHFFFAOYSA-N 0 0 197.257 1.402 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(C)c(N)c1 104666672 573153672 /nfs/dbraw/zinc/15/36/72/573153672.db2.gz JTIMZHKUIGPDEA-SNVBAGLBSA-N 0 0 178.235 1.166 10 0 ADAERN CN(O)[C@@H]1CCCSC1 258542249 573153709 /nfs/dbraw/zinc/15/37/09/573153709.db2.gz OOXLUGPJLQAKPW-ZCFIWIBFSA-N 0 0 147.243 1.203 10 0 ADAERN CCOC(=O)c1cc2c(C)[nH][nH]c-2n1 238291342 573153711 /nfs/dbraw/zinc/15/37/11/573153711.db2.gz KVTNQEUQFNLPMO-UHFFFAOYSA-N 0 0 193.206 1.376 10 0 ADAERN CC(=O)[C@H](N)c1cccc(Cl)n1 104668767 573153753 /nfs/dbraw/zinc/15/37/53/573153753.db2.gz RBDXTGGBCKZQJI-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN CC(C)(C)Cc1noc(C(C)(C)N)n1 82673330 573153918 /nfs/dbraw/zinc/15/39/18/573153918.db2.gz YVMNIFZOQGMXHK-UHFFFAOYSA-N 0 0 197.282 1.852 10 0 ADAERN CCc1occc1[C@H](N)C(C)=O 104668787 573153925 /nfs/dbraw/zinc/15/39/25/573153925.db2.gz PATWYPFUYOLZBU-SECBINFHSA-N 0 0 167.208 1.431 10 0 ADAERN Cc1cc([C@@H]([NH3+])C(=O)[O-])cs1 104670717 573159926 /nfs/dbraw/zinc/15/99/26/573159926.db2.gz NCGZEMQUQOIWNT-ZCFIWIBFSA-N 0 0 171.221 1.141 10 0 ADAERN Clc1ncnn1-c1ccccc1 215530874 573153966 /nfs/dbraw/zinc/15/39/66/573153966.db2.gz WNUFOVDKRVMJRC-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN CONC/C=C/c1ccc(F)cc1 308506189 573153980 /nfs/dbraw/zinc/15/39/80/573153980.db2.gz ZFYZDFYJHMZQIS-NSCUHMNNSA-N 0 0 181.210 1.990 10 0 ADAERN C[C@H](F)CCN(C)Cc1cc[nH]n1 308282570 573153984 /nfs/dbraw/zinc/15/39/84/573153984.db2.gz XOLWKYKGLVQWPM-QMMMGPOBSA-N 0 0 185.246 1.590 10 0 ADAERN CCO[C@H]1C(=O)Cc2ccccc21 238292515 573153987 /nfs/dbraw/zinc/15/39/87/573153987.db2.gz NBPHBRZHQPAAHM-LLVKDONJSA-N 0 0 176.215 1.889 10 0 ADAERN CCOC(=O)[C@H](CC)N(C)CCF 308285084 573161637 /nfs/dbraw/zinc/16/16/37/573161637.db2.gz AOAGKSOPMJAJMJ-QMMMGPOBSA-N 0 0 191.246 1.229 10 0 ADAERN CC[C@](C)(O)/C=C/CCO 238291647 573154029 /nfs/dbraw/zinc/15/40/29/573154029.db2.gz HHWRAWOGAVOFFD-JQTRYQTASA-N 0 0 144.214 1.086 10 0 ADAERN CCc1nc(CO)[nH]c1C1CC1 258481693 573154030 /nfs/dbraw/zinc/15/40/30/573154030.db2.gz JDVNTMVQAMRMSN-UHFFFAOYSA-N 0 0 166.224 1.342 10 0 ADAERN CCn1ccnc1OC(C)C 257954409 573161856 /nfs/dbraw/zinc/16/18/56/573161856.db2.gz XIGISOQQXAJWJS-UHFFFAOYSA-N 0 0 154.213 1.690 10 0 ADAERN CCC(=O)[C@@]1(C)O[C@H]1CC 238292656 573154069 /nfs/dbraw/zinc/15/40/69/573154069.db2.gz BUYUABVBMGCWND-JGVFFNPUSA-N 0 0 142.198 1.533 10 0 ADAERN CC(C)(O)C1CC(F)(F)C1 258544053 573154073 /nfs/dbraw/zinc/15/40/73/573154073.db2.gz OVEDQJXIVCJTBB-UHFFFAOYSA-N 0 0 150.168 1.803 10 0 ADAERN CC[C@@H]1O[C@H]([C@@H](C)O)C1(C)C 238292333 573154078 /nfs/dbraw/zinc/15/40/78/573154078.db2.gz OLGRKTAOJCCVMN-GJMOJQLCSA-N 0 0 158.241 1.571 10 0 ADAERN CCn1c(N)[nH+]c2c(CO)cccc21 238292095 573154097 /nfs/dbraw/zinc/15/40/97/573154097.db2.gz MDIFVCOORPBIIY-UHFFFAOYSA-N 0 0 191.234 1.131 10 0 ADAERN Cc1[nH]c(=O)oc1CC(C)C 258481780 573154114 /nfs/dbraw/zinc/15/41/14/573154114.db2.gz JEDMCMXRBYDTFA-UHFFFAOYSA-N 0 0 155.197 1.887 10 0 ADAERN O[C@H](C(C1CC1)C1CC1)[C@H]1CCOC1 308505950 573154289 /nfs/dbraw/zinc/15/42/89/573154289.db2.gz YYMVOLJDKNUQIJ-JQWIXIFHSA-N 0 0 196.290 1.820 10 0 ADAERN NNCc1ccnc2ccccc12 82665178 573154164 /nfs/dbraw/zinc/15/41/64/573154164.db2.gz OHTXXFBFRSFGJJ-UHFFFAOYSA-N 0 0 173.219 1.198 10 0 ADAERN CC(C)c1nc(N)nc(C(C)(C)C)n1 82664870 573154183 /nfs/dbraw/zinc/15/41/83/573154183.db2.gz TUABSJDESRBVQF-UHFFFAOYSA-N 0 0 194.282 1.875 10 0 ADAERN O=C([O-])c1ccc([C@H]2CC[NH2+]2)s1 104668606 573154184 /nfs/dbraw/zinc/15/41/84/573154184.db2.gz PLVHZBGNICJRHH-RXMQYKEDSA-N 0 0 183.232 1.481 10 0 ADAERN [NH3+][C@H]1CCOc2c([S-])cccc21 104668994 573154194 /nfs/dbraw/zinc/15/41/94/573154194.db2.gz UPHTWGBIHDBQGR-ZETCQYMHSA-N 0 0 181.260 1.758 10 0 ADAERN CC(=O)NCCCCCCCO 115087049 573163831 /nfs/dbraw/zinc/16/38/31/573163831.db2.gz PQEXLWAOJGPMOF-UHFFFAOYSA-N 0 0 173.256 1.065 10 0 ADAERN [O-]c1cnccc1[C@H]1CCCC[NH2+]1 104666355 573154235 /nfs/dbraw/zinc/15/42/35/573154235.db2.gz FEOQEYJVCRLTHE-SECBINFHSA-N 0 0 178.235 1.602 10 0 ADAERN Cc1[nH]c(C=O)nc1-c1ccco1 258542426 573154239 /nfs/dbraw/zinc/15/42/39/573154239.db2.gz JVUAGKKSYNHECC-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN OC/C=C/Cc1ccccc1F 258481904 573154243 /nfs/dbraw/zinc/15/42/43/573154243.db2.gz JFQCLUJLXFQNNK-ONEGZZNKSA-N 0 0 166.195 1.917 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)/C=C/C1CC1 308505745 573154251 /nfs/dbraw/zinc/15/42/51/573154251.db2.gz ZDOWHWIMZDHMIE-GMCFVEKCSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@@H](NCC1(CO)CC1)C(F)(F)F 308283988 573154263 /nfs/dbraw/zinc/15/42/63/573154263.db2.gz YDGXAADVEYPEHL-ZCFIWIBFSA-N 0 0 197.200 1.299 10 0 ADAERN CC[C@H](CO)CC1COC1 258545004 573154267 /nfs/dbraw/zinc/15/42/67/573154267.db2.gz IPHLHKHXFPTIAM-ZETCQYMHSA-N 0 0 144.214 1.041 10 0 ADAERN CC[C@](C)(OC)C1=NC=S=C1N 642853963 573154275 /nfs/dbraw/zinc/15/42/75/573154275.db2.gz WKTWQARFWNWUCP-QMMMGPOBSA-N 0 0 186.280 1.182 10 0 ADAERN CC(=O)COC(=O)[C@@H]1[C@H](C)C1(F)F 308284325 573154294 /nfs/dbraw/zinc/15/42/94/573154294.db2.gz YHPWKZXEDBAEBF-WDSKDSINSA-N 0 0 192.161 1.020 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)oc1C 104666706 573154341 /nfs/dbraw/zinc/15/43/41/573154341.db2.gz WLEKCGHIVACNTB-SECBINFHSA-N 0 0 167.208 1.485 10 0 ADAERN Cc1ccc([C@H]2NC[C@@H](C)CO2)o1 258542871 573154371 /nfs/dbraw/zinc/15/43/71/573154371.db2.gz OGJCBVQBQBJMHK-XCBNKYQSSA-N 0 0 181.235 1.843 10 0 ADAERN CC(C)(C)C[C@H](O)[C@H]1CCOC1 82673736 573154382 /nfs/dbraw/zinc/15/43/82/573154382.db2.gz HOIIAHXMKREHDV-IUCAKERBSA-N 0 0 172.268 1.820 10 0 ADAERN CO[C@@H](C)CCNc1ncccc1N 308506711 573154384 /nfs/dbraw/zinc/15/43/84/573154384.db2.gz FUVWFZFSJASDHO-QMMMGPOBSA-N 0 0 195.266 1.501 10 0 ADAERN CCCCCC(=O)[C@@H]1CN(C)CCO1 85792741 573154405 /nfs/dbraw/zinc/15/44/05/573154405.db2.gz RBZOUSYYZXRQNR-NSHDSACASA-N 0 0 199.294 1.466 10 0 ADAERN CN[C@@H](C)c1nc(CC(C)(C)C)no1 82673232 573154413 /nfs/dbraw/zinc/15/44/13/573154413.db2.gz NWRXMJWBECXPEE-ZETCQYMHSA-N 0 0 197.282 1.939 10 0 ADAERN CSc1cc(CCO)ccc1N 259348001 573154420 /nfs/dbraw/zinc/15/44/20/573154420.db2.gz YMPQWFMUWDHFMZ-UHFFFAOYSA-N 0 0 183.276 1.526 10 0 ADAERN O=C(NCCCCF)c1ccno1 308288862 573154423 /nfs/dbraw/zinc/15/44/23/573154423.db2.gz CNBNRMZYTQRTBJ-UHFFFAOYSA-N 0 0 186.186 1.154 10 0 ADAERN Cc1nc(CC(C)(C)C)[nH]c(=O)c1C 82673462 573155861 /nfs/dbraw/zinc/15/58/61/573155861.db2.gz SCJMRXJBKOLUEC-UHFFFAOYSA-N 0 0 194.278 1.975 10 0 ADAERN CC(C)[C@H](C)CC(=O)N[C@H](C)CO 308282238 573154453 /nfs/dbraw/zinc/15/44/53/573154453.db2.gz XKUGELHSHKUKOE-RKDXNWHRSA-N 0 0 187.283 1.166 10 0 ADAERN CCCC1([C@H](C)O)COC1 115027648 573154516 /nfs/dbraw/zinc/15/45/16/573154516.db2.gz SSUMLUAVDYGXMN-ZETCQYMHSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]21)C(=O)[O-] 308507131 573154554 /nfs/dbraw/zinc/15/45/54/573154554.db2.gz ZNFAQSDJHVCMNR-JLIMGVALSA-N 0 0 197.278 1.484 10 0 ADAERN CCc1ccc(N)c(S(C)(=O)=O)c1 259345436 573154558 /nfs/dbraw/zinc/15/45/58/573154558.db2.gz YISWBUYEVNAQDP-UHFFFAOYSA-N 0 0 199.275 1.235 10 0 ADAERN COC(=O)c1cccc(OC2CC2)n1 238411853 573154575 /nfs/dbraw/zinc/15/45/75/573154575.db2.gz BHLJBLQVBDHKPV-UHFFFAOYSA-N 0 0 193.202 1.409 10 0 ADAERN CCCSCC(=O)c1cn(C)nn1 308284564 573154649 /nfs/dbraw/zinc/15/46/49/573154649.db2.gz ZVLHLVBFGPXNAI-UHFFFAOYSA-N 0 0 199.279 1.141 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)/C=C\C1CC1 308505753 573154654 /nfs/dbraw/zinc/15/46/54/573154654.db2.gz ZDOWHWIMZDHMIE-LZCWPNQWSA-N 0 0 179.263 1.867 10 0 ADAERN CO[C@H](CO)c1cccc(O)c1 258543948 573154666 /nfs/dbraw/zinc/15/46/66/573154666.db2.gz OSYWIFSFAHKRQL-SECBINFHSA-N 0 0 168.192 1.072 10 0 ADAERN Clc1cnnc(C2CCOCC2)n1 259347248 573154673 /nfs/dbraw/zinc/15/46/73/573154673.db2.gz VODHUXURNRVQEC-UHFFFAOYSA-N 0 0 199.641 1.419 10 0 ADAERN C[C@H]([NH3+])c1c(F)cccc1C(=O)[O-] 104667542 573154684 /nfs/dbraw/zinc/15/46/84/573154684.db2.gz WCKPCDAGPAFSEX-YFKPBYRVSA-N 0 0 183.182 1.544 10 0 ADAERN CC(=O)COC(=O)[C@H]1[C@@H](C)C1(F)F 308284322 573154706 /nfs/dbraw/zinc/15/47/06/573154706.db2.gz YHPWKZXEDBAEBF-PHDIDXHHSA-N 0 0 192.161 1.020 10 0 ADAERN CCc1cc(Cl)nc(CN(C)C)n1 85792319 573154728 /nfs/dbraw/zinc/15/47/28/573154728.db2.gz RBEQHNKYJBWVGI-UHFFFAOYSA-N 0 0 199.685 1.754 10 0 ADAERN COC1=CN2CC(=O)N=C2C=C1 258552715 573154737 /nfs/dbraw/zinc/15/47/37/573154737.db2.gz PPXAQQZJUHFRDL-UHFFFAOYSA-N 0 0 164.164 1.049 10 0 ADAERN CC(C)(C)C[C@@H](O)[C@@H]1CCOC1 82673734 573154739 /nfs/dbraw/zinc/15/47/39/573154739.db2.gz HOIIAHXMKREHDV-RKDXNWHRSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H](O)C[N@H+](C)C[C@@H](C)C(F)(F)F 308283494 573154751 /nfs/dbraw/zinc/15/47/51/573154751.db2.gz XWFWOSYLIVNMRZ-RNFRBKRXSA-N 0 0 199.216 1.497 10 0 ADAERN CN(N=O)c1cccccc1=O 238293901 573154795 /nfs/dbraw/zinc/15/47/95/573154795.db2.gz CVQRAXJYWUTRQR-UHFFFAOYSA-N 0 0 164.164 1.164 10 0 ADAERN C[C@H](O)C[N@H+](C)C[C@@H](C)C(F)(F)F 308283495 573154820 /nfs/dbraw/zinc/15/48/20/573154820.db2.gz XWFWOSYLIVNMRZ-RQJHMYQMSA-N 0 0 199.216 1.497 10 0 ADAERN CC(C)[C@H](C)Nc1cncc(N)n1 82666551 573154827 /nfs/dbraw/zinc/15/48/27/573154827.db2.gz WANUXLYNUMHORF-ZETCQYMHSA-N 0 0 180.255 1.515 10 0 ADAERN Oc1c(F)cccc1OC[C@@H]1CO1 115047537 573154856 /nfs/dbraw/zinc/15/48/56/573154856.db2.gz MGMNHOZTKDEFRM-LURJTMIESA-N 0 0 184.166 1.309 10 0 ADAERN CC[C@H](C)Nc1cncnc1 89224127 573154900 /nfs/dbraw/zinc/15/49/00/573154900.db2.gz LNSNPASIVZEPQW-ZETCQYMHSA-N 0 0 151.213 1.687 10 0 ADAERN CCc1cc(CC)cc(C(N)=O)c1 115010125 573154988 /nfs/dbraw/zinc/15/49/88/573154988.db2.gz RRHZCAJANSZXLI-UHFFFAOYSA-N 0 0 177.247 1.910 10 0 ADAERN CC[N@@H+]1CCC/C(=C/C(=O)[O-])C1 259345432 573155011 /nfs/dbraw/zinc/15/50/11/573155011.db2.gz YISDZSCTMMHHOL-VURMDHGXSA-N 0 0 169.224 1.113 10 0 ADAERN CC(C)OCc1nnc(C(F)F)o1 308282185 573155028 /nfs/dbraw/zinc/15/50/28/573155028.db2.gz XJWRTXSLHPWMPV-UHFFFAOYSA-N 0 0 192.165 1.932 10 0 ADAERN O=Cc1cnc2[nH]cc(Cl)n12 258543890 573155038 /nfs/dbraw/zinc/15/50/38/573155038.db2.gz ORKZRINNUQXQOI-UHFFFAOYSA-N 0 0 169.571 1.128 10 0 ADAERN Cc1ccccc1CCN(C)O 258542304 573155066 /nfs/dbraw/zinc/15/50/66/573155066.db2.gz OPBOOUAZKKBSNJ-UHFFFAOYSA-N 0 0 165.236 1.859 10 0 ADAERN C[C@H](NCCCCCO)C(F)(F)F 308283928 573155080 /nfs/dbraw/zinc/15/50/80/573155080.db2.gz XZLJTWIVFLMLNA-ZETCQYMHSA-N 0 0 199.216 1.689 10 0 ADAERN CC[C@@H](O)C(=O)N[C@H](C)CC1CC1 308506514 573155090 /nfs/dbraw/zinc/15/50/90/573155090.db2.gz ZLAFVMUFBBQGBO-VXNVDRBHSA-N 0 0 185.267 1.062 10 0 ADAERN COCC[C@@H](C)[C@](C)(O)COC 162478731 573155098 /nfs/dbraw/zinc/15/50/98/573155098.db2.gz ONSBJEZJDBJGPM-RKDXNWHRSA-N 0 0 176.256 1.056 10 0 ADAERN CO[C@H](C)CCNc1ncccc1N 308506706 573155110 /nfs/dbraw/zinc/15/51/10/573155110.db2.gz FUVWFZFSJASDHO-MRVPVSSYSA-N 0 0 195.266 1.501 10 0 ADAERN CCO[C@H]1CC(=O)[C@]1(C)Cl 238293158 573155133 /nfs/dbraw/zinc/15/51/33/573155133.db2.gz KBTPQGOXIHHDPU-BQBZGAKWSA-N 0 0 162.616 1.362 10 0 ADAERN CC[C@H](C)c1nc(N)nc(C2CC2)n1 82664886 573155151 /nfs/dbraw/zinc/15/51/51/573155151.db2.gz UGEBPSIVUPHXKE-LURJTMIESA-N 0 0 192.266 1.845 10 0 ADAERN CONC/C=C\c1ccc(F)cc1 308506184 573155197 /nfs/dbraw/zinc/15/51/97/573155197.db2.gz ZFYZDFYJHMZQIS-IHWYPQMZSA-N 0 0 181.210 1.990 10 0 ADAERN [O-]c1cnccc1[C@@H]1CCCC[NH2+]1 104666351 573155199 /nfs/dbraw/zinc/15/51/99/573155199.db2.gz FEOQEYJVCRLTHE-VIFPVBQESA-N 0 0 178.235 1.602 10 0 ADAERN Cc1nonc1C(=O)OCC(C)C 308283918 573155204 /nfs/dbraw/zinc/15/52/04/573155204.db2.gz XZFZZNNRLDRHSR-UHFFFAOYSA-N 0 0 184.195 1.191 10 0 ADAERN Cc1ccc(N[C@H](C)O)cc1 115008710 573155212 /nfs/dbraw/zinc/15/52/12/573155212.db2.gz DEFNJVVPQMVSLE-QMMMGPOBSA-N 0 0 151.209 1.745 10 0 ADAERN CN(N=O)c1ccccc1C=O 238293884 573155219 /nfs/dbraw/zinc/15/52/19/573155219.db2.gz PPWIWTLTWGANGV-UHFFFAOYSA-N 0 0 164.164 1.617 10 0 ADAERN C[C@H](O)[C@@H](F)[C@H]1CCCS1 258554476 573155221 /nfs/dbraw/zinc/15/52/21/573155221.db2.gz PSUPMEQWFLLUKV-RRKCRQDMSA-N 0 0 164.245 1.601 10 0 ADAERN CC(C)=CC(=O)N(C)CCCCO 308505661 573155230 /nfs/dbraw/zinc/15/52/30/573155230.db2.gz ZBYLUOUIKQZEKL-UHFFFAOYSA-N 0 0 185.267 1.184 10 0 ADAERN CON(CC1CCCCC1)C(N)=O 308505675 573155232 /nfs/dbraw/zinc/15/52/32/573155232.db2.gz ZCIWRRUJFCKALQ-UHFFFAOYSA-N 0 0 186.255 1.509 10 0 ADAERN CC(=O)[C@H](N)c1csc(C)c1 104670212 573156968 /nfs/dbraw/zinc/15/69/68/573156968.db2.gz MGTYGGQOMBRTNI-QMMMGPOBSA-N 0 0 169.249 1.645 10 0 ADAERN CCc1nc(N)nc(C(C)(C)C)n1 82664654 573155246 /nfs/dbraw/zinc/15/52/46/573155246.db2.gz UFUUQNFPZDGTLG-UHFFFAOYSA-N 0 0 180.255 1.314 10 0 ADAERN CCc1coc(C2(N)CC2)n1 258554463 573155252 /nfs/dbraw/zinc/15/52/52/573155252.db2.gz PSLDTBWFRFQSAV-UHFFFAOYSA-N 0 0 152.197 1.185 10 0 ADAERN Cc1c(O)nc(CC(C)(C)C)[nH]c1=O 82673481 573155265 /nfs/dbraw/zinc/15/52/65/573155265.db2.gz ZTYOBXPFWMQJEM-UHFFFAOYSA-N 0 0 196.250 1.373 10 0 ADAERN CCc1onc2c1CC(=O)C[C@@H]2C 238294388 573155272 /nfs/dbraw/zinc/15/52/72/573155272.db2.gz LZTVWGFUFZIVIG-LURJTMIESA-N 0 0 179.219 1.856 10 0 ADAERN CCOC(=O)c1cc2ocnc2[nH]1 238293043 573155298 /nfs/dbraw/zinc/15/52/98/573155298.db2.gz BGAYHKPTXYRHPF-UHFFFAOYSA-N 0 0 180.163 1.333 10 0 ADAERN CCc1nc(SC)nc2[nH]cnc12 223906367 573155321 /nfs/dbraw/zinc/15/53/21/573155321.db2.gz VNSOILMKRGNLHA-UHFFFAOYSA-N 0 0 194.263 1.637 10 0 ADAERN CN(N=O)c1ccc(CO)cc1 238293735 573155326 /nfs/dbraw/zinc/15/53/26/573155326.db2.gz ZXUPSGCOGWGVDE-UHFFFAOYSA-N 0 0 166.180 1.297 10 0 ADAERN CCc1sc(NC)nc1C(C)=O 258542592 573155337 /nfs/dbraw/zinc/15/53/37/573155337.db2.gz IIDRJZHUPDDBJY-UHFFFAOYSA-N 0 0 184.264 1.950 10 0 ADAERN OC[C@H]1Cc2cc(O)ccc21 258554417 573155375 /nfs/dbraw/zinc/15/53/75/573155375.db2.gz PRFAFWCCTCQCCL-SSDOTTSWSA-N 0 0 150.177 1.024 10 0 ADAERN Cc1ccc(N(C)N=O)cc1N 238293676 573155393 /nfs/dbraw/zinc/15/53/93/573155393.db2.gz CEWHOXCDBVNBLX-UHFFFAOYSA-N 0 0 165.196 1.695 10 0 ADAERN C[C@@](N)(c1ccncc1)C(F)(F)F 82670625 573155427 /nfs/dbraw/zinc/15/54/27/573155427.db2.gz WDAWZMIZEQEFBJ-SSDOTTSWSA-N 0 0 190.168 1.818 10 0 ADAERN CC[C@@]1(c2ccccc2C)CNC1=O 238294245 573155401 /nfs/dbraw/zinc/15/54/01/573155401.db2.gz OUFULNMWQOJDEQ-LBPRGKRZSA-N 0 0 189.258 1.773 10 0 ADAERN Cn1nc(C[C@@H]2CCSC2)cc1N 259345549 573155406 /nfs/dbraw/zinc/15/54/06/573155406.db2.gz UAGBLVXQUZZDEY-ZETCQYMHSA-N 0 0 197.307 1.298 10 0 ADAERN CN(CC1CC1)c1nc(CO)cs1 308283776 573155436 /nfs/dbraw/zinc/15/54/36/573155436.db2.gz ZEIFOHZODQFDLQ-UHFFFAOYSA-N 0 0 198.291 1.482 10 0 ADAERN CN(N=O)c1ncccc1C=O 238293985 573155457 /nfs/dbraw/zinc/15/54/57/573155457.db2.gz RMIFRWVVENRJHU-UHFFFAOYSA-N 0 0 165.152 1.012 10 0 ADAERN CC[C@@H]1S[C@H](O)[C@@H]1C 238293928 573155478 /nfs/dbraw/zinc/15/54/78/573155478.db2.gz RUZODDYNORWARF-SRQIZXRXSA-N 0 0 132.228 1.466 10 0 ADAERN CC(C)(C[NH2+]C1CC1)CC(=O)[O-] 258554931 573155484 /nfs/dbraw/zinc/15/54/84/573155484.db2.gz AYZXAJSSPZJKPI-UHFFFAOYSA-N 0 0 171.240 1.239 10 0 ADAERN CCCc1nc(N)nc(CSC)n1 82664788 573155507 /nfs/dbraw/zinc/15/55/07/573155507.db2.gz BANGQFHZTVNRQY-UHFFFAOYSA-N 0 0 198.295 1.269 10 0 ADAERN CC(C)[C@@](C)(N)C(F)(F)F 82670670 573155513 /nfs/dbraw/zinc/15/55/13/573155513.db2.gz VSODICLXRHCYDD-RXMQYKEDSA-N 0 0 155.163 1.922 10 0 ADAERN CCCc1nc(N)nc(C(C)(C)C)n1 82664784 573155531 /nfs/dbraw/zinc/15/55/31/573155531.db2.gz UEAHMYAYLVIOQI-UHFFFAOYSA-N 0 0 194.282 1.704 10 0 ADAERN O[C@@H](C(C1CC1)C1CC1)[C@H]1CCOC1 308505948 573155580 /nfs/dbraw/zinc/15/55/80/573155580.db2.gz YYMVOLJDKNUQIJ-CMPLNLGQSA-N 0 0 196.290 1.820 10 0 ADAERN CCOC(=O)c1cc2c([nH]1)CCC2=O 115008746 573155587 /nfs/dbraw/zinc/15/55/87/573155587.db2.gz OSCVMSLKNQJZHZ-UHFFFAOYSA-N 0 0 193.202 1.320 10 0 ADAERN CC(=O)Nc1ccc(N(C)N=O)cc1 238293770 573155600 /nfs/dbraw/zinc/15/56/00/573155600.db2.gz DGZKZFSBWSQDGW-UHFFFAOYSA-N 0 0 193.206 1.763 10 0 ADAERN COc1nc(-c2ccccn2)c(C)[nH]1 258554802 573155618 /nfs/dbraw/zinc/15/56/18/573155618.db2.gz LGBHIXPAFKRDIT-UHFFFAOYSA-N 0 0 189.218 1.789 10 0 ADAERN COC[C@H](C)CNc1cc(C)nn1C 308505556 573155619 /nfs/dbraw/zinc/15/56/19/573155619.db2.gz INOWMNCQHJYFSF-MRVPVSSYSA-N 0 0 197.282 1.423 10 0 ADAERN CCc1cc2nc(N)cc(Cl)n2n1 115046147 573155620 /nfs/dbraw/zinc/15/56/20/573155620.db2.gz XLGPUCDSAWQEQE-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN C[C@H](O)c1cnc2ccc(F)cn12 82694620 573156973 /nfs/dbraw/zinc/15/69/73/573156973.db2.gz VQGLMIJPFLRHDW-LURJTMIESA-N 0 0 180.182 1.527 10 0 ADAERN CCOC(=O)c1cc2[nH]n(C)cc-2n1 238292909 573155643 /nfs/dbraw/zinc/15/56/43/573155643.db2.gz XCBIDBFFRRWGSJ-UHFFFAOYSA-N 0 0 193.206 1.078 10 0 ADAERN S=c1nc2[nH]ccc2c[nH]1 89223983 573155648 /nfs/dbraw/zinc/15/56/48/573155648.db2.gz NBGYZLUXYMZHRE-UHFFFAOYSA-N 0 0 151.194 1.620 10 0 ADAERN CCOC(=O)/C=C1/CCC[C@@H]1O 238292858 573155653 /nfs/dbraw/zinc/15/56/53/573155653.db2.gz MKAZRRIQQMBPAU-UAPHAKCISA-N 0 0 170.208 1.021 10 0 ADAERN C[C@H](O)[C@H](F)[C@H]1CCCS1 258554477 573155657 /nfs/dbraw/zinc/15/56/57/573155657.db2.gz PSUPMEQWFLLUKV-XVMARJQXSA-N 0 0 164.245 1.601 10 0 ADAERN O=C(Cc1ncccn1)c1cccnc1 259347462 573155659 /nfs/dbraw/zinc/15/56/59/573155659.db2.gz ZLJHFJIWCVFGCA-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN Cn1ncnc1C[C@H](CO)C(C)(C)C 162479138 573155663 /nfs/dbraw/zinc/15/56/63/573155663.db2.gz SRAMWGMYQVBRHR-MRVPVSSYSA-N 0 0 197.282 1.012 10 0 ADAERN CCO[C@H]1CCCCCC1=O 238293665 573155691 /nfs/dbraw/zinc/15/56/91/573155691.db2.gz VLHBQJNLTLCIJB-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN CCC[C@H](CO)CC1(C)COC1 258544992 573155715 /nfs/dbraw/zinc/15/57/15/573155715.db2.gz IPCWYNGWAGGOEW-VIFPVBQESA-N 0 0 172.268 1.822 10 0 ADAERN CCOC[C@@H]1C(=O)CC[C@@H]1C 238292956 573155725 /nfs/dbraw/zinc/15/57/25/573155725.db2.gz VQWHYBVHESTSIR-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN OC[C@H](F)C[C@@H]1CCCS1 258543888 573155728 /nfs/dbraw/zinc/15/57/28/573155728.db2.gz ORFCHBAMLMCANX-RQJHMYQMSA-N 0 0 164.245 1.603 10 0 ADAERN Cc1cc(CO)cc2c1N(C)CCC2 238293827 573155738 /nfs/dbraw/zinc/15/57/38/573155738.db2.gz JPOIQNVTRWLLHT-UHFFFAOYSA-N 0 0 191.274 1.870 10 0 ADAERN CCc1cc(NC)nc(CN(C)C)n1 85801108 573155765 /nfs/dbraw/zinc/15/57/65/573155765.db2.gz PJNZTHPKNVUEAU-UHFFFAOYSA-N 0 0 194.282 1.142 10 0 ADAERN Cc1oncc1C(=O)OC(C)(C)C 82671080 573155770 /nfs/dbraw/zinc/15/57/70/573155770.db2.gz OWACJDQJRXNJCH-UHFFFAOYSA-N 0 0 183.207 1.938 10 0 ADAERN CCSc1cc(=O)[nH]c(CC)n1 238293571 573155779 /nfs/dbraw/zinc/15/57/79/573155779.db2.gz YTHAAPBRQRSKPX-UHFFFAOYSA-N 0 0 184.264 1.444 10 0 ADAERN Nc1n[nH]c2c1[C@@H](F)CCC2 258544045 573155784 /nfs/dbraw/zinc/15/57/84/573155784.db2.gz OVAPCFYIDPBCAZ-BYPYZUCNSA-N 0 0 155.176 1.339 10 0 ADAERN CCO[C@H]1CCCC[C@@H]1CO 238293718 573155810 /nfs/dbraw/zinc/15/58/10/573155810.db2.gz CKUQYMMRMXIPQS-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CCO[C@H]1CCCC[C@H]1CO 238293797 573155822 /nfs/dbraw/zinc/15/58/22/573155822.db2.gz CKUQYMMRMXIPQS-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@H](F)CCN(C)Cc1cc[nH]n1 308282569 573155830 /nfs/dbraw/zinc/15/58/30/573155830.db2.gz XOLWKYKGLVQWPM-MRVPVSSYSA-N 0 0 185.246 1.590 10 0 ADAERN CN(C)[C@@H]1Cc2ccccc2NC1=O 238293820 573155843 /nfs/dbraw/zinc/15/58/43/573155843.db2.gz OZOFTJDNSBQYTH-SNVBAGLBSA-N 0 0 190.246 1.111 10 0 ADAERN CC[C@@H](CCO)[C@@H]1CCO1 115027054 573155857 /nfs/dbraw/zinc/15/58/57/573155857.db2.gz JDUSXUQLRZWLRR-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CCOc1ccccc1NCO 258555045 573155868 /nfs/dbraw/zinc/15/58/68/573155868.db2.gz BBVDIQPPEJGSPR-UHFFFAOYSA-N 0 0 167.208 1.447 10 0 ADAERN CC(C)(C)Cc1ncc(N)cn1 82673449 573155880 /nfs/dbraw/zinc/15/58/80/573155880.db2.gz CSHRSFSPZGSJMS-UHFFFAOYSA-N 0 0 165.240 1.647 10 0 ADAERN CC(C)[C@](C)(N)C(F)(F)F 82670667 573155888 /nfs/dbraw/zinc/15/58/88/573155888.db2.gz VSODICLXRHCYDD-YFKPBYRVSA-N 0 0 155.163 1.922 10 0 ADAERN CC(=O)[C@H](N)c1cccnc1Cl 104670201 573156015 /nfs/dbraw/zinc/15/60/15/573156015.db2.gz NALOOQKNINSCNT-ZETCQYMHSA-N 0 0 184.626 1.324 10 0 ADAERN Cn1ncc2ccc(C[NH3+])c(Cl)c21 259346683 573156054 /nfs/dbraw/zinc/15/60/54/573156054.db2.gz HOGUJUZIVUHDOM-UHFFFAOYSA-N 0 0 195.653 1.685 10 0 ADAERN CC[C@@]1(c2ccc(C)cc2)CNC1=O 238292946 573156061 /nfs/dbraw/zinc/15/60/61/573156061.db2.gz IUBIREULIHZZJX-LBPRGKRZSA-N 0 0 189.258 1.773 10 0 ADAERN CC[C@@](C)(C(C)=O)[C@@H](C)O 238293117 573156071 /nfs/dbraw/zinc/15/60/71/573156071.db2.gz OXCBYVOOEWRSGH-HTRCEHHLSA-N 0 0 144.214 1.373 10 0 ADAERN Cc1ccc2[nH]c(=O)ccc2c1N 115008027 573156091 /nfs/dbraw/zinc/15/60/91/573156091.db2.gz FPCIBEUXFBMVDS-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN CCc1occ(C)c1C(=O)OC 238293876 573156096 /nfs/dbraw/zinc/15/60/96/573156096.db2.gz LVQIDSCQNCVWPZ-UHFFFAOYSA-N 0 0 168.192 1.937 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)cs1 104671021 573156104 /nfs/dbraw/zinc/15/61/04/573156104.db2.gz HHJGWGKHFWWYFD-MRVPVSSYSA-N 0 0 169.249 1.645 10 0 ADAERN Nc1n[nH]c2c1[C@H](F)CCC2 258544050 573156109 /nfs/dbraw/zinc/15/61/09/573156109.db2.gz OVAPCFYIDPBCAZ-SCSAIBSYSA-N 0 0 155.176 1.339 10 0 ADAERN Oc1c(F)cccc1OC[C@H]1CO1 115047538 573156133 /nfs/dbraw/zinc/15/61/33/573156133.db2.gz MGMNHOZTKDEFRM-ZCFIWIBFSA-N 0 0 184.166 1.309 10 0 ADAERN CN(O)[C@H]1CCCSC1 258542233 573156134 /nfs/dbraw/zinc/15/61/34/573156134.db2.gz OOXLUGPJLQAKPW-LURJTMIESA-N 0 0 147.243 1.203 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1ccoc1 104670542 573156148 /nfs/dbraw/zinc/15/61/48/573156148.db2.gz BFMZGBZZBAJAGK-ZETCQYMHSA-N 0 0 183.207 1.390 10 0 ADAERN CC(C)/C=C/CON 258544917 573156154 /nfs/dbraw/zinc/15/61/54/573156154.db2.gz INRGZDLUNJPBGL-ONEGZZNKSA-N 0 0 115.176 1.089 10 0 ADAERN Cc1ccc([C@H]2NC[C@H](C)CO2)o1 258542873 573156178 /nfs/dbraw/zinc/15/61/78/573156178.db2.gz OGJCBVQBQBJMHK-XVKPBYJWSA-N 0 0 181.235 1.843 10 0 ADAERN CO[C@@H](C)CC(=O)N[C@@H]1CC1(C)C 308281903 573156192 /nfs/dbraw/zinc/15/61/92/573156192.db2.gz YEWBJKJACFACPR-JGVFFNPUSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1[nH]c(=O)oc1C(C)(C)C 258543938 573156212 /nfs/dbraw/zinc/15/62/12/573156212.db2.gz OSTHLSHTAJXVRU-UHFFFAOYSA-N 0 0 155.197 1.986 10 0 ADAERN CC/C=C/COC(=O)c1cnsn1 308506520 573156229 /nfs/dbraw/zinc/15/62/29/573156229.db2.gz ZLLDZCIKFITRET-ONEGZZNKSA-N 0 0 198.247 1.661 10 0 ADAERN CCc1sc(=O)[nH]c1N 238292902 573156280 /nfs/dbraw/zinc/15/62/80/573156280.db2.gz GSOXEEZOXZHCAU-VKHMYHEASA-N 0 0 144.199 1.199 10 0 ADAERN NC(=S)OC1CCCCC1 115004482 573156298 /nfs/dbraw/zinc/15/62/98/573156298.db2.gz YSCLTKOWKPFEKZ-UHFFFAOYSA-N 0 0 159.254 1.579 10 0 ADAERN OC[C@H](F)C[C@H]1CCCS1 258543885 573156329 /nfs/dbraw/zinc/15/63/29/573156329.db2.gz ORFCHBAMLMCANX-RNFRBKRXSA-N 0 0 164.245 1.603 10 0 ADAERN CO[C@@H](CO)c1cccc(O)c1 258543951 573156336 /nfs/dbraw/zinc/15/63/36/573156336.db2.gz OSYWIFSFAHKRQL-VIFPVBQESA-N 0 0 168.192 1.072 10 0 ADAERN C[C@@H](NCCCCCO)C(F)(F)F 308283927 573156354 /nfs/dbraw/zinc/15/63/54/573156354.db2.gz XZLJTWIVFLMLNA-SSDOTTSWSA-N 0 0 199.216 1.689 10 0 ADAERN CC(C)(O)c1ccc(C(N)=O)cc1 115046478 573156367 /nfs/dbraw/zinc/15/63/67/573156367.db2.gz NKYPWWXUZZUBJV-UHFFFAOYSA-N 0 0 179.219 1.013 10 0 ADAERN CC(=O)[C@H](N)c1sccc1C 104669568 573156368 /nfs/dbraw/zinc/15/63/68/573156368.db2.gz 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/nfs/dbraw/zinc/15/65/62/573156562.db2.gz WLUJGOGMMKDZIL-LURJTMIESA-N 0 0 179.219 1.536 10 0 ADAERN CCO[C@H]1CC(=O)[C@@]1(C)Cl 238293037 573156575 /nfs/dbraw/zinc/15/65/75/573156575.db2.gz KBTPQGOXIHHDPU-NKWVEPMBSA-N 0 0 162.616 1.362 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)cs1 104671026 573156606 /nfs/dbraw/zinc/15/66/06/573156606.db2.gz HHJGWGKHFWWYFD-QMMMGPOBSA-N 0 0 169.249 1.645 10 0 ADAERN Cc1ccc([C@@H]2NC[C@@H](C)CO2)o1 258542868 573156641 /nfs/dbraw/zinc/15/66/41/573156641.db2.gz OGJCBVQBQBJMHK-GMSGAONNSA-N 0 0 181.235 1.843 10 0 ADAERN CN(C)Cc1nsc(NC2CC2)n1 85803573 573156652 /nfs/dbraw/zinc/15/66/52/573156652.db2.gz ZNLCDAOFPZTJPD-UHFFFAOYSA-N 0 0 198.295 1.174 10 0 ADAERN C/C(=C\C(=O)OC1COC1)C1CC1 308282444 573156698 /nfs/dbraw/zinc/15/66/98/573156698.db2.gz YLJXMOKDUPVOCV-QPJJXVBHSA-N 0 0 182.219 1.285 10 0 ADAERN C[C@H](CO)CN(C)C(=O)CCC1CC1 688755599 573156808 /nfs/dbraw/zinc/15/68/08/573156808.db2.gz PLWMKDRSQSYKPZ-VIFPVBQESA-N 0 0 199.294 1.263 10 0 ADAERN 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238292878 573157541 /nfs/dbraw/zinc/15/75/41/573157541.db2.gz MKAZRRIQQMBPAU-NFXKFNAJSA-N 0 0 170.208 1.021 10 0 ADAERN CC(C)(C)Cc1nccc(C=O)n1 82674994 573157571 /nfs/dbraw/zinc/15/75/71/573157571.db2.gz KQTHQOSJMQYUEA-UHFFFAOYSA-N 0 0 178.235 1.878 10 0 ADAERN O[C@H](c1ccoc1)[C@H]1CCOC1 82677721 573157579 /nfs/dbraw/zinc/15/75/79/573157579.db2.gz BIJLTANTOKFODR-DTWKUNHWSA-N 0 0 168.192 1.350 10 0 ADAERN CCc1occ(C)c(=O)c1C 238293858 573157597 /nfs/dbraw/zinc/15/75/97/573157597.db2.gz NSMYWJJCQHDFJP-UHFFFAOYSA-N 0 0 152.193 1.819 10 0 ADAERN CCCC[C@@H](O)[C@H]1CCOC1 82679198 573157601 /nfs/dbraw/zinc/15/76/01/573157601.db2.gz CWEHIRWCWSKWJB-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CCC[C@@H](O)CCSC 82679288 573157608 /nfs/dbraw/zinc/15/76/08/573157608.db2.gz QWEDYZWKVNKRJJ-SSDOTTSWSA-N 0 0 148.271 1.901 10 0 ADAERN O[C@@H](C(C1CC1)C1CC1)[C@@H]1CCOC1 308505952 573157624 /nfs/dbraw/zinc/15/76/24/573157624.db2.gz YYMVOLJDKNUQIJ-ZYHUDNBSSA-N 0 0 196.290 1.820 10 0 ADAERN 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/nfs/dbraw/zinc/15/85/32/573158532.db2.gz MQKKYDVWXQWRFF-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CC(C)(C)Cc1ncc(CO)cn1 82675057 573157865 /nfs/dbraw/zinc/15/78/65/573157865.db2.gz WDVDMXAQHLOUQX-UHFFFAOYSA-N 0 0 180.251 1.558 10 0 ADAERN CC[C@]1(c2ccccc2)C(=O)N[C@@H]1C 238294131 573157877 /nfs/dbraw/zinc/15/78/77/573157877.db2.gz NVHKLBNFQGIATN-SKDRFNHKSA-N 0 0 189.258 1.853 10 0 ADAERN CC(C)[N@H+](CCF)C1CCOCC1 308284490 573157889 /nfs/dbraw/zinc/15/78/89/573157889.db2.gz YIJRJRHYUHZEMR-UHFFFAOYSA-N 0 0 189.274 1.845 10 0 ADAERN CC(=O)[C@H](N)c1cccc(O)c1C 104670117 573157903 /nfs/dbraw/zinc/15/79/03/573157903.db2.gz DYQBTJRDDSEFTO-JTQLQIEISA-N 0 0 179.219 1.289 10 0 ADAERN Cc1cc(O)c(CCO)cc1F 257954075 573157925 /nfs/dbraw/zinc/15/79/25/573157925.db2.gz GAJCUZJNCXQIBB-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN CC(C)(C)Cc1ncc(C=O)cn1 82674999 573157935 /nfs/dbraw/zinc/15/79/35/573157935.db2.gz FZINQOVKOSWIPZ-UHFFFAOYSA-N 0 0 178.235 1.878 10 0 ADAERN CCCOC(=O)c1snnc1C 82699475 573157945 /nfs/dbraw/zinc/15/79/45/573157945.db2.gz ACIHJCOVCNPMMY-UHFFFAOYSA-N 0 0 186.236 1.413 10 0 ADAERN CCCCn1ccc(O)cc1=O 115079118 573157947 /nfs/dbraw/zinc/15/79/47/573157947.db2.gz UCYJRKIDTPNFGP-UHFFFAOYSA-N 0 0 167.208 1.354 10 0 ADAERN CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]21)C(=O)[O-] 308507139 573157961 /nfs/dbraw/zinc/15/79/61/573157961.db2.gz ZNFAQSDJHVCMNR-RGOKHQFPSA-N 0 0 197.278 1.484 10 0 ADAERN CCON(C)C(=O)N1CC[C@@H](C)C1 308288876 573157966 /nfs/dbraw/zinc/15/79/66/573157966.db2.gz CIBROVBDCFZNIS-MRVPVSSYSA-N 0 0 186.255 1.332 10 0 ADAERN CC[C@H](O)C(=O)N[C@H](C)CC1CC1 308506511 573157987 /nfs/dbraw/zinc/15/79/87/573157987.db2.gz ZLAFVMUFBBQGBO-APPZFPTMSA-N 0 0 185.267 1.062 10 0 ADAERN CN(CC1CCC1)c1cncc(N)n1 82686989 573158008 /nfs/dbraw/zinc/15/80/08/573158008.db2.gz LJCOHXGDLJUAJO-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CC(=O)[C@H](N)c1ccc(C)cc1N 104669520 573158030 /nfs/dbraw/zinc/15/80/30/573158030.db2.gz MUSBOHCTPXZDDA-JTQLQIEISA-N 0 0 178.235 1.166 10 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Cc1ccc([C@@H](O)[C@H]2CCOC2)o1 82675824 573159151 /nfs/dbraw/zinc/15/91/51/573159151.db2.gz NXCJNGRBEMHBKS-WPRPVWTQSA-N 0 0 182.219 1.658 10 0 ADAERN O[C@H](c1cncnc1)[C@H]1CC=CCC1 82678700 573159200 /nfs/dbraw/zinc/15/92/00/573159200.db2.gz NBZNAUWNPSFRCP-ONGXEEELSA-N 0 0 190.246 1.866 10 0 ADAERN O=c1cc(N2CCC[C@H](F)C2)cn[nH]1 689927089 573159208 /nfs/dbraw/zinc/15/92/08/573159208.db2.gz IARHGIHAOSOSMP-ZETCQYMHSA-N 0 0 197.213 1.121 10 0 ADAERN C[C@H](CO)COC(=O)[C@H]1CC1(C)C 308285585 573159209 /nfs/dbraw/zinc/15/92/09/573159209.db2.gz YXXXPAPFLMRFQN-HTQZYQBOSA-N 0 0 186.251 1.204 10 0 ADAERN Nc1ncc(CNCc2ccco2)o1 308510969 573159224 /nfs/dbraw/zinc/15/92/24/573159224.db2.gz KVTJHGYVMZCSSL-UHFFFAOYSA-N 0 0 193.206 1.140 10 0 ADAERN CC(=O)c1cc(C2CCOCC2)on1 259349055 573159225 /nfs/dbraw/zinc/15/92/25/573159225.db2.gz UFUGJRAHQUTWOQ-UHFFFAOYSA-N 0 0 195.218 1.771 10 0 ADAERN Cc1ncc(C2N=NC(=S)O2)s1 82688943 573159226 /nfs/dbraw/zinc/15/92/26/573159226.db2.gz AHYATDHOTMKBIE-UHFFFAOYSA-N 0 0 199.260 1.790 10 0 ADAERN O[C@H](C1CCCC1)[C@@H]1CCCOC1 82678174 573159257 /nfs/dbraw/zinc/15/92/57/573159257.db2.gz PHEQWJWVIUXJLV-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CCOC(=O)C=CNC(C)C 238294211 573159261 /nfs/dbraw/zinc/15/92/61/573159261.db2.gz GYLNJGRPIGDYHV-AATRIKPKSA-N 0 0 157.213 1.061 10 0 ADAERN O[C@@H](c1cncnc1)[C@@H]1CC=CCC1 82678702 573159266 /nfs/dbraw/zinc/15/92/66/573159266.db2.gz NBZNAUWNPSFRCP-MWLCHTKSSA-N 0 0 190.246 1.866 10 0 ADAERN CCc1ccc(CCNOC)cc1 308285175 573159274 /nfs/dbraw/zinc/15/92/74/573159274.db2.gz BJSMRFFRISUOFU-UHFFFAOYSA-N 0 0 179.263 1.943 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)c(C)s1 104671919 573159277 /nfs/dbraw/zinc/15/92/77/573159277.db2.gz LAQKVJMJTXTVJL-VIFPVBQESA-N 0 0 183.276 1.954 10 0 ADAERN O[C@H](c1cncc(F)c1)[C@@H]1CCOC1 82677461 573159292 /nfs/dbraw/zinc/15/92/92/573159292.db2.gz GHGIDXPXHVHPDB-XCBNKYQSSA-N 0 0 197.209 1.291 10 0 ADAERN C[C@H](CCCO)NC(C)(C)C(F)F 308284644 573159338 /nfs/dbraw/zinc/15/93/38/573159338.db2.gz YKVZCCHGTSWTOF-SSDOTTSWSA-N 0 0 195.253 1.781 10 0 ADAERN CCSC(=O)c1cc(N)n(CC)n1 257954348 573159342 /nfs/dbraw/zinc/15/93/42/573159342.db2.gz SPJLJHQACSUELW-UHFFFAOYSA-N 0 0 199.279 1.379 10 0 ADAERN Cc1c(N)ccc2c(C)n(C)nc12 259350155 573159345 /nfs/dbraw/zinc/15/93/45/573159345.db2.gz HZHVHLULLZXNFA-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN CC[C@H](O)CCSC 82679282 573159348 /nfs/dbraw/zinc/15/93/48/573159348.db2.gz XYLHJEBQXGGICF-LURJTMIESA-N 0 0 134.244 1.510 10 0 ADAERN [NH3+][C@@H](/C=C/C(=O)[O-])c1ccccc1 259350464 573159402 /nfs/dbraw/zinc/15/94/02/573159402.db2.gz JUGJEZDQBPZIAY-UCUJLANTSA-N 0 0 177.203 1.327 10 0 ADAERN CCC(=O)OCC[C@H]1CCCC1=O 308285296 573159416 /nfs/dbraw/zinc/15/94/16/573159416.db2.gz DADOMTPATNHANX-MRVPVSSYSA-N 0 0 184.235 1.699 10 0 ADAERN OC[C@H]1CCc2ccc(F)cc2O1 115099582 573159425 /nfs/dbraw/zinc/15/94/25/573159425.db2.gz BPWROHPZYHYUIJ-SECBINFHSA-N 0 0 182.194 1.512 10 0 ADAERN CCCCNC(=O)[C@@H]1CC[C@H](O)C1 308285054 573159457 /nfs/dbraw/zinc/15/94/57/573159457.db2.gz ANILNCVXHKYOFT-BDAKNGLRSA-N 0 0 185.267 1.064 10 0 ADAERN CCOC(=O)[C@@H](CC)N(C)CCF 308285082 573159482 /nfs/dbraw/zinc/15/94/82/573159482.db2.gz AOAGKSOPMJAJMJ-MRVPVSSYSA-N 0 0 191.246 1.229 10 0 ADAERN CC[C@@H]1SC(C)(C)[NH2+][C@@H]1C(=O)[O-] 238292964 573159525 /nfs/dbraw/zinc/15/95/25/573159525.db2.gz WQDNYRRYUGETBO-WDSKDSINSA-N 0 0 189.280 1.291 10 0 ADAERN CCc1ccc2c(c1)C(=O)C(=O)O2 238294052 573159537 /nfs/dbraw/zinc/15/95/37/573159537.db2.gz LJGWHXVYNNUVGQ-UHFFFAOYSA-N 0 0 176.171 1.351 10 0 ADAERN O[C@@H](c1cncc(F)c1)[C@H]1CCOC1 82677464 573159569 /nfs/dbraw/zinc/15/95/69/573159569.db2.gz GHGIDXPXHVHPDB-OIBJUYFYSA-N 0 0 197.209 1.291 10 0 ADAERN CN(N=O)C(=S)Nc1ccccc1 238293323 573159573 /nfs/dbraw/zinc/15/95/73/573159573.db2.gz HUFYLFRPYSZUGH-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CCCCNC(=O)[C@@H]1CC[C@@H](O)C1 308285058 573159579 /nfs/dbraw/zinc/15/95/79/573159579.db2.gz ANILNCVXHKYOFT-RKDXNWHRSA-N 0 0 185.267 1.064 10 0 ADAERN CCc1c(C=O)c(C)nn1C 238292948 573159581 /nfs/dbraw/zinc/15/95/81/573159581.db2.gz UAZONRGMTWPSSS-UHFFFAOYSA-N 0 0 152.197 1.103 10 0 ADAERN CCc1ccc([C@H](C)O)o1 82677582 573159591 /nfs/dbraw/zinc/15/95/91/573159591.db2.gz RDGQFORCDRFOEH-LURJTMIESA-N 0 0 140.182 1.895 10 0 ADAERN CCCCNc1nccnc1OC 308285609 573159617 /nfs/dbraw/zinc/15/96/17/573159617.db2.gz BQFKQEFUGUXULE-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN NC1C(=O)N(C2CC2)N=C1C1CC1 642856458 573159628 /nfs/dbraw/zinc/15/96/28/573159628.db2.gz VYADBWORHWLVFH-UHFFFAOYSA-N 0 0 179.223 1.383 10 0 ADAERN CCO[C@H]1CCC[C@H](C(N)=O)CC1 238294549 573159636 /nfs/dbraw/zinc/15/96/36/573159636.db2.gz UXGKLOWCRSBUQV-IUCAKERBSA-N 0 0 185.267 1.457 10 0 ADAERN CC[C@]1(c2ccccc2)C(=O)N[C@H]1C 238294204 573159655 /nfs/dbraw/zinc/15/96/55/573159655.db2.gz NVHKLBNFQGIATN-CABZTGNLSA-N 0 0 189.258 1.853 10 0 ADAERN CCc1oc(CN)nc1C1CC1 258562188 573159667 /nfs/dbraw/zinc/15/96/67/573159667.db2.gz QQKIFCZAHIPNHX-UHFFFAOYSA-N 0 0 166.224 1.573 10 0 ADAERN CCc1onc2c1CC(=O)C[C@H]2C 238294415 573159672 /nfs/dbraw/zinc/15/96/72/573159672.db2.gz LZTVWGFUFZIVIG-ZCFIWIBFSA-N 0 0 179.219 1.856 10 0 ADAERN C[C@H](O)c1coc([C@@H]2CCCOC2)n1 257954761 573159674 /nfs/dbraw/zinc/15/96/74/573159674.db2.gz FYDARWRLNBKBQH-JGVFFNPUSA-N 0 0 197.234 1.622 10 0 ADAERN CON(C)C(=O)Cc1ccc(C)s1 308284737 573159711 /nfs/dbraw/zinc/15/97/11/573159711.db2.gz BDTLXPCHIBIDCS-UHFFFAOYSA-N 0 0 199.275 1.619 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H]2CCOC2)cn1 82677435 573159736 /nfs/dbraw/zinc/15/97/36/573159736.db2.gz BOVZXIQXQFTKKN-GHMZBOCLSA-N 0 0 193.246 1.460 10 0 ADAERN CC(=O)[C@H](N)c1ccc(Cl)nc1 104671891 573159748 /nfs/dbraw/zinc/15/97/48/573159748.db2.gz OKOQXPASHIBODQ-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@@H](O)C(C)C 233339816 573159797 /nfs/dbraw/zinc/15/97/97/573159797.db2.gz IHRBAQCJVZRZGT-LPEHRKFASA-N 0 0 174.284 1.800 10 0 ADAERN C1CCC([C@@H]2CNOC2)C1 258562236 573159802 /nfs/dbraw/zinc/15/98/02/573159802.db2.gz QRKROSSDSUDLNO-MRVPVSSYSA-N 0 0 141.214 1.328 10 0 ADAERN O[C@H]1CSCCCS1 115138368 573159827 /nfs/dbraw/zinc/15/98/27/573159827.db2.gz QQCAKSROZFJFFL-RXMQYKEDSA-N 0 0 150.268 1.175 10 0 ADAERN C[C@@]1(COC(=O)C(F)F)CCOC1 308285349 573159976 /nfs/dbraw/zinc/15/99/76/573159976.db2.gz DCTKAOXEEAQYQI-MRVPVSSYSA-N 0 0 194.177 1.221 10 0 ADAERN CCc1oc(C)c(C)c(=O)c1O 238293678 573159846 /nfs/dbraw/zinc/15/98/46/573159846.db2.gz BHNYQXGJCXAZGX-UHFFFAOYSA-N 0 0 168.192 1.525 10 0 ADAERN CC(=O)[C@H](N)c1cc(Cl)ccn1 104670966 573159847 /nfs/dbraw/zinc/15/98/47/573159847.db2.gz LKUQWASWYPYENV-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN CCc1nscc1CO 238293432 573159852 /nfs/dbraw/zinc/15/98/52/573159852.db2.gz FCKNXGOCGPRPAZ-UHFFFAOYSA-N 0 0 143.211 1.198 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)CC1CC1 82693878 573159874 /nfs/dbraw/zinc/15/98/74/573159874.db2.gz HVZUDTXRZQLSJZ-RTMURIBGSA-N 0 0 167.252 1.867 10 0 ADAERN CCc1ccc([C@H](O)[C@H]2CCOC2)o1 82677629 573159892 /nfs/dbraw/zinc/15/98/92/573159892.db2.gz JLWACSSNUSJTFJ-GZMMTYOYSA-N 0 0 196.246 1.912 10 0 ADAERN CC(=O)[C@@H](N)c1cccc(O)c1C 104670114 573159903 /nfs/dbraw/zinc/15/99/03/573159903.db2.gz DYQBTJRDDSEFTO-SNVBAGLBSA-N 0 0 179.219 1.289 10 0 ADAERN CC(C)(C)Cc1nc(CO)c[nH]1 82675134 573159924 /nfs/dbraw/zinc/15/99/24/573159924.db2.gz KPWANMAZMAXNKO-UHFFFAOYSA-N 0 0 168.240 1.491 10 0 ADAERN Cc1ccc([C@H](O)[C@H]2CCOC2)cn1 82677438 573160129 /nfs/dbraw/zinc/16/01/29/573160129.db2.gz BOVZXIQXQFTKKN-QWRGUYRKSA-N 0 0 193.246 1.460 10 0 ADAERN CC(=O)[C@H](N)c1cc(O)ccc1C 104669487 573160130 /nfs/dbraw/zinc/16/01/30/573160130.db2.gz VPQRPEHPULCTTH-JTQLQIEISA-N 0 0 179.219 1.289 10 0 ADAERN O[C@@H](c1ccoc1)[C@@H]1CCOC1 82677717 573160143 /nfs/dbraw/zinc/16/01/43/573160143.db2.gz BIJLTANTOKFODR-BDAKNGLRSA-N 0 0 168.192 1.350 10 0 ADAERN C[C@]1(c2nc(O)c[nH]2)CCCO1 235728679 573160151 /nfs/dbraw/zinc/16/01/51/573160151.db2.gz AGSIDSHNVPLHEA-MRVPVSSYSA-N 0 0 168.196 1.141 10 0 ADAERN CC(=O)OC[C@@H]1CC(=O)C[C@@H]1C 223912446 573160181 /nfs/dbraw/zinc/16/01/81/573160181.db2.gz WDIIJNRZAUBAEN-XPUUQOCRSA-N 0 0 170.208 1.165 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)c(C)s1 104671915 573160194 /nfs/dbraw/zinc/16/01/94/573160194.db2.gz LAQKVJMJTXTVJL-SECBINFHSA-N 0 0 183.276 1.954 10 0 ADAERN CC(=O)[C@H](C)NC(=O)[C@H]1CC1(C)C 235504726 573160218 /nfs/dbraw/zinc/16/02/18/573160218.db2.gz FRLQVRKMRKLMBF-POYBYMJQSA-N 0 0 183.251 1.126 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(N)cc1C 104671840 573160220 /nfs/dbraw/zinc/16/02/20/573160220.db2.gz BQNUNMKQPGIKQF-SNVBAGLBSA-N 0 0 178.235 1.166 10 0 ADAERN Nc1ccc(-c2cc[nH]c2N)cc1 258237266 573160230 /nfs/dbraw/zinc/16/02/30/573160230.db2.gz ZGSUZCYLMPRNRU-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN CC[C@@H](O)C(=O)OCCCCCF 308285520 573160238 /nfs/dbraw/zinc/16/02/38/573160238.db2.gz ASPAVRVIPARNOB-MRVPVSSYSA-N 0 0 192.230 1.440 10 0 ADAERN O=Cc1csc(N2CCCC2)n1 82688586 573160239 /nfs/dbraw/zinc/16/02/39/573160239.db2.gz VYLNYCRWSRADRJ-UHFFFAOYSA-N 0 0 182.248 1.556 10 0 ADAERN C[C@](O)(CCCO)C1CCC1 259348683 573160243 /nfs/dbraw/zinc/16/02/43/573160243.db2.gz PNSHUAQYXZVXMF-VIFPVBQESA-N 0 0 158.241 1.310 10 0 ADAERN CC[C@@H](C)Nn1cccc1 85828695 573160935 /nfs/dbraw/zinc/16/09/35/573160935.db2.gz KATUYPOIMPGTCH-MRVPVSSYSA-N 0 0 138.214 1.830 10 0 ADAERN O=C([O-])c1cscc1[C@@H]1CC[NH2+]1 104669317 573160245 /nfs/dbraw/zinc/16/02/45/573160245.db2.gz WTGDSIMDRNZHKS-ZETCQYMHSA-N 0 0 183.232 1.481 10 0 ADAERN O[C@H](c1cncc(F)c1)[C@H]1CCOC1 82677467 573160285 /nfs/dbraw/zinc/16/02/85/573160285.db2.gz GHGIDXPXHVHPDB-XVKPBYJWSA-N 0 0 197.209 1.291 10 0 ADAERN Cc1cccc([C@@H]2CNOC2)c1 258560104 573160304 /nfs/dbraw/zinc/16/03/04/573160304.db2.gz QKASLBWAWQEZMS-SNVBAGLBSA-N 0 0 163.220 1.613 10 0 ADAERN O[C@@H](C1CCCC1)[C@H]1CCCOC1 82678176 573160328 /nfs/dbraw/zinc/16/03/28/573160328.db2.gz PHEQWJWVIUXJLV-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1nc(N)nc(CC(C)(C)C)n1 82675433 573160348 /nfs/dbraw/zinc/16/03/48/573160348.db2.gz PKKHLUMFSFVBPW-UHFFFAOYSA-N 0 0 180.255 1.351 10 0 ADAERN CC(C)SCc1ncc(N)o1 257954637 573160356 /nfs/dbraw/zinc/16/03/56/573160356.db2.gz XPGVWTVBWYWOSL-UHFFFAOYSA-N 0 0 172.253 1.898 10 0 ADAERN CCc1ccc([C@H](O)[C@@H]2CCOC2)o1 82677624 573160380 /nfs/dbraw/zinc/16/03/80/573160380.db2.gz JLWACSSNUSJTFJ-LDYMZIIASA-N 0 0 196.246 1.912 10 0 ADAERN CCC[C@H](O)[C@@H]1CCCOC1 82678236 573160385 /nfs/dbraw/zinc/16/03/85/573160385.db2.gz LXJZZQVQZXTFSO-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN Cn1cc([C@@H](O)[C@@H]2CC=CCC2)cn1 82678679 573160403 /nfs/dbraw/zinc/16/04/03/573160403.db2.gz KEEUNJATLKCSEA-KOLCDFICSA-N 0 0 192.262 1.810 10 0 ADAERN Cc1ccsc1C(=O)CN(C)C 82707460 573160410 /nfs/dbraw/zinc/16/04/10/573160410.db2.gz WFKOYARZYJLGBM-UHFFFAOYSA-N 0 0 183.276 1.801 10 0 ADAERN CCc1c(C)nn(CCCCO)c1C 40733573 573160412 /nfs/dbraw/zinc/16/04/12/573160412.db2.gz GFURXVKBKPAPMY-UHFFFAOYSA-N 0 0 196.294 1.835 10 0 ADAERN CCCc1c(C(C)=O)cnn1C 258559978 573160434 /nfs/dbraw/zinc/16/04/34/573160434.db2.gz QIGGNNJNTCOAKI-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN CCCCNC(=O)[C@H]1CC[C@@H](O)C1 308285055 573160440 /nfs/dbraw/zinc/16/04/40/573160440.db2.gz ANILNCVXHKYOFT-DTWKUNHWSA-N 0 0 185.267 1.064 10 0 ADAERN CC(=O)[C@H](F)c1cccc(O)c1 258560181 573160441 /nfs/dbraw/zinc/16/04/41/573160441.db2.gz QLVDGCPSPOUVBB-VIFPVBQESA-N 0 0 168.167 1.992 10 0 ADAERN O=Cc1onc2cc(F)ccc12 258558445 573160914 /nfs/dbraw/zinc/16/09/14/573160914.db2.gz QEZUCGIOXFCAJO-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN O[C@H](c1cccnc1)[C@H]1CCCOC1 82678171 573160483 /nfs/dbraw/zinc/16/04/83/573160483.db2.gz HIAIYGCWHLDIMC-WDEREUQCSA-N 0 0 193.246 1.542 10 0 ADAERN C[C@@H](O)c1coc([C@H]2CCCOC2)n1 257954763 573160919 /nfs/dbraw/zinc/16/09/19/573160919.db2.gz FYDARWRLNBKBQH-SFYZADRCSA-N 0 0 197.234 1.622 10 0 ADAERN Cn1cc([C@H](O)[C@H]2CC=CCC2)cn1 82678667 573160491 /nfs/dbraw/zinc/16/04/91/573160491.db2.gz KEEUNJATLKCSEA-GXSJLCMTSA-N 0 0 192.262 1.810 10 0 ADAERN CC(O)=C(F)C(=O)C(C)(C)C 115080003 573160494 /nfs/dbraw/zinc/16/04/94/573160494.db2.gz QYTQKFOJBKOKRY-ZCFIWIBFSA-N 0 0 160.188 1.529 10 0 ADAERN CCc1c(C)nn(CCCO)c1C 40733579 573160831 /nfs/dbraw/zinc/16/08/31/573160831.db2.gz QSVVLKRWCIWRSE-UHFFFAOYSA-N 0 0 182.267 1.445 10 0 ADAERN COc1c(O)ccc(Cl)c1C=O 257954722 573160557 /nfs/dbraw/zinc/16/05/57/573160557.db2.gz WUJMHLKCULAAQV-UHFFFAOYSA-N 0 0 186.594 1.867 10 0 ADAERN CCC[C@H](O)[C@H]1CCCOC1 82678240 573160568 /nfs/dbraw/zinc/16/05/68/573160568.db2.gz LXJZZQVQZXTFSO-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@H](CO)COC(=O)[C@H]1CC1(C)C 308285587 573160584 /nfs/dbraw/zinc/16/05/84/573160584.db2.gz YXXXPAPFLMRFQN-JGVFFNPUSA-N 0 0 186.251 1.204 10 0 ADAERN Cc1cccc([C@H](CO)C2COC2)c1 258559076 573160927 /nfs/dbraw/zinc/16/09/27/573160927.db2.gz JZDSQLVLAVAXLT-LBPRGKRZSA-N 0 0 192.258 1.717 10 0 ADAERN CSCC[C@H](O)C(C)C 82679620 573160628 /nfs/dbraw/zinc/16/06/28/573160628.db2.gz OZBAJQJCKHBNOM-ZETCQYMHSA-N 0 0 148.271 1.756 10 0 ADAERN Cc1ccc([C@@H](C)ON)o1 259348839 573160646 /nfs/dbraw/zinc/16/06/46/573160646.db2.gz FDXITMFHEOPXQL-ZCFIWIBFSA-N 0 0 141.170 1.539 10 0 ADAERN C[C@H](Cc1cccc(F)c1)ON 259348821 573160667 /nfs/dbraw/zinc/16/06/67/573160667.db2.gz FDNJFHKAJHJTJY-SSDOTTSWSA-N 0 0 169.199 1.647 10 0 ADAERN C/C=C\C(=O)OCc1cnccn1 308285796 573160671 /nfs/dbraw/zinc/16/06/71/573160671.db2.gz DGPWXBGYCFWXRI-IHWYPQMZSA-N 0 0 178.191 1.096 10 0 ADAERN c1ccn(NCc2ccncn2)c1 85828759 573160681 /nfs/dbraw/zinc/16/06/81/573160681.db2.gz GAYZZTOSNLLRFK-UHFFFAOYSA-N 0 0 174.207 1.022 10 0 ADAERN CCc1ccc(-c2nnc(CN)o2)o1 85827360 573160702 /nfs/dbraw/zinc/16/07/02/573160702.db2.gz OLLGJABCEQKNGN-UHFFFAOYSA-N 0 0 193.206 1.351 10 0 ADAERN CCOC(=O)NCC1(C(F)F)CC1 308285603 573160741 /nfs/dbraw/zinc/16/07/41/573160741.db2.gz ATPUFWXMOHGSJT-UHFFFAOYSA-N 0 0 193.193 1.778 10 0 ADAERN Cc1cnn(C)c1[C@H](O)COC(C)C 308507377 573160761 /nfs/dbraw/zinc/16/07/61/573160761.db2.gz ZROBKMUEOCYWDV-SECBINFHSA-N 0 0 198.266 1.187 10 0 ADAERN CCOCc1ccc(CCO)o1 238294822 573160764 /nfs/dbraw/zinc/16/07/64/573160764.db2.gz WULHOLUKOVEMQG-UHFFFAOYSA-N 0 0 170.208 1.351 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@H+](C)CCC1CC1 308511008 573160818 /nfs/dbraw/zinc/16/08/18/573160818.db2.gz KXYGORXMVIYHGS-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN COCOC(=O)c1c(C)noc1C 308285649 573160835 /nfs/dbraw/zinc/16/08/35/573160835.db2.gz BRYPVGGWAIKFFX-UHFFFAOYSA-N 0 0 185.179 1.052 10 0 ADAERN CCc1ccc(-c2nc(N)ns2)o1 85827491 573160836 /nfs/dbraw/zinc/16/08/36/573160836.db2.gz MOPFWOBQDLSNTR-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(Cl)nc1 104671897 573160854 /nfs/dbraw/zinc/16/08/54/573160854.db2.gz OKOQXPASHIBODQ-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN COC[C@H](C)Nn1cccc1 85829103 573160898 /nfs/dbraw/zinc/16/08/98/573160898.db2.gz GIDKGYQESWCSCB-QMMMGPOBSA-N 0 0 154.213 1.067 10 0 ADAERN O=C([O-])CCCCC1=CC[NH2+]CC1 238623896 573160908 /nfs/dbraw/zinc/16/09/08/573160908.db2.gz PEGDPMNXHUDWPT-UHFFFAOYSA-N 0 0 183.251 1.551 10 0 ADAERN C/C=C(\C)C(=O)N1C[C@@H]2CCC[C@H]21 308285771 573160969 /nfs/dbraw/zinc/16/09/69/573160969.db2.gz DEHBRVDCWGSKGN-PGNDRMTNSA-N 0 0 179.263 1.964 10 0 ADAERN COC[C@@H](C)Nn1cccc1 85829104 573160981 /nfs/dbraw/zinc/16/09/81/573160981.db2.gz GIDKGYQESWCSCB-MRVPVSSYSA-N 0 0 154.213 1.067 10 0 ADAERN Cc1ccc([C@@H](O)c2cncnc2)o1 82675750 573160993 /nfs/dbraw/zinc/16/09/93/573160993.db2.gz JLXXRFJWZAPNIG-JTQLQIEISA-N 0 0 190.202 1.460 10 0 ADAERN C[C@@H](Nn1cccc1)c1cnn(C)c1 85828451 573161028 /nfs/dbraw/zinc/16/10/28/573161028.db2.gz YMCBGMSTSFRQBJ-SECBINFHSA-N 0 0 190.250 1.526 10 0 ADAERN O=c1ccc([C@@H]2CCCCO2)n[nH]1 259349305 573161035 /nfs/dbraw/zinc/16/10/35/573161035.db2.gz GFCWZFQNKOKNLE-QMMMGPOBSA-N 0 0 180.207 1.424 10 0 ADAERN CCC1(Cl)COC1 258482345 573161065 /nfs/dbraw/zinc/16/10/65/573161065.db2.gz BZWYTOAYDHIVEE-UHFFFAOYSA-N 0 0 120.579 1.404 10 0 ADAERN Cc1n[nH]c(C)c1CNn1cccc1 85828376 573161084 /nfs/dbraw/zinc/16/10/84/573161084.db2.gz MQIMZJBJCUIHSA-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN c1ccn(NCc2cnccn2)c1 85829108 573161120 /nfs/dbraw/zinc/16/11/20/573161120.db2.gz CCENDSGXPZYHTF-UHFFFAOYSA-N 0 0 174.207 1.022 10 0 ADAERN c1ccn(NC2CCOCC2)c1 85829046 573161129 /nfs/dbraw/zinc/16/11/29/573161129.db2.gz ZIGBYULPKQIMJW-UHFFFAOYSA-N 0 0 166.224 1.211 10 0 ADAERN CO[C@H]1CCCC[C@@H]1Nn1cccc1 85828900 573161139 /nfs/dbraw/zinc/16/11/39/573161139.db2.gz SOPLFCPMIOTBJM-QWRGUYRKSA-N 0 0 194.278 1.989 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H]2CCOC2)o1 82675819 573161149 /nfs/dbraw/zinc/16/11/49/573161149.db2.gz NXCJNGRBEMHBKS-SCZZXKLOSA-N 0 0 182.219 1.658 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)OCCCF 308284777 573161158 /nfs/dbraw/zinc/16/11/58/573161158.db2.gz BESGQXUDRIVWBR-HTQZYQBOSA-N 0 0 190.214 1.314 10 0 ADAERN Cc1ccc(C)n1N[C@H]1CC[N@@H+](C)C1 85829953 573161170 /nfs/dbraw/zinc/16/11/70/573161170.db2.gz BBHHRRLTUKISGT-NSHDSACASA-N 0 0 193.294 1.353 10 0 ADAERN COC(=O)c1cc2occ(C)c2cn1 259602073 573161189 /nfs/dbraw/zinc/16/11/89/573161189.db2.gz CUFHWOXYTQIWJZ-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN c1c[nH]c(CNn2cccc2)c1 85829503 573161191 /nfs/dbraw/zinc/16/11/91/573161191.db2.gz ITPGIDJYHNTWKW-UHFFFAOYSA-N 0 0 161.208 1.560 10 0 ADAERN CCc1cccnc1[C@@H](N)C(C)=O 104670961 573161196 /nfs/dbraw/zinc/16/11/96/573161196.db2.gz WDXIPDFVERDHST-VIFPVBQESA-N 0 0 178.235 1.233 10 0 ADAERN C[C@@H](O)c1coc([C@@H]2CCCOC2)n1 257954759 573161220 /nfs/dbraw/zinc/16/12/20/573161220.db2.gz FYDARWRLNBKBQH-HTQZYQBOSA-N 0 0 197.234 1.622 10 0 ADAERN C[N@@H+]1CCCC[C@H]1C(C)(C)C(=O)[O-] 115109124 573161231 /nfs/dbraw/zinc/16/12/31/573161231.db2.gz CZGRULLVYQAPMY-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccc(C)n1NCc1cc[nH]n1 85829602 573161238 /nfs/dbraw/zinc/16/12/38/573161238.db2.gz HUWUZUHEDOFMIR-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN O=Cc1c(Cl)nc2ccc(F)cn12 82694467 573161241 /nfs/dbraw/zinc/16/12/41/573161241.db2.gz HQGSMMGGUZHGLO-UHFFFAOYSA-N 0 0 198.584 1.939 10 0 ADAERN CC(=O)[C@@]1(O)CCC[C@@H](C)C1 115098097 573161252 /nfs/dbraw/zinc/16/12/52/573161252.db2.gz ITMIBNGBUOUCHA-VXNVDRBHSA-N 0 0 156.225 1.517 10 0 ADAERN O[C@@H]1CCCCC[C@H]1Nn1cccc1 85830292 573161293 /nfs/dbraw/zinc/16/12/93/573161293.db2.gz GFWJCWZOSUMLMW-GHMZBOCLSA-N 0 0 194.278 1.725 10 0 ADAERN CC(=O)[C@@H](N)c1cccnc1Cl 104670203 573161300 /nfs/dbraw/zinc/16/13/00/573161300.db2.gz NALOOQKNINSCNT-SSDOTTSWSA-N 0 0 184.626 1.324 10 0 ADAERN CC1(C)C[C@H](Nn2cccc2)CCO1 85828465 573161708 /nfs/dbraw/zinc/16/17/08/573161708.db2.gz LMHLUNICRXPMKL-SNVBAGLBSA-N 0 0 194.278 1.989 10 0 ADAERN C=COCCCNC(=O)[C@H]1C[C@H]1C 308285155 573161709 /nfs/dbraw/zinc/16/17/09/573161709.db2.gz YRPATAKLSHNOCK-BDAKNGLRSA-N 0 0 183.251 1.309 10 0 ADAERN CC(=O)c1noc(CC(C)C)n1 257958846 573161745 /nfs/dbraw/zinc/16/17/45/573161745.db2.gz JDPMSHKYOUISBF-UHFFFAOYSA-N 0 0 168.196 1.471 10 0 ADAERN Cc1nccc(CNn2cccc2)n1 85829291 573161618 /nfs/dbraw/zinc/16/16/18/573161618.db2.gz YKEPCSNVHPTMJF-UHFFFAOYSA-N 0 0 188.234 1.330 10 0 ADAERN CCc1ccc(-c2nnc(N)s2)o1 85826953 573161635 /nfs/dbraw/zinc/16/16/35/573161635.db2.gz WWSOMURNAQTORQ-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN Nc1ccsc1CNn1cccc1 85829349 573161643 /nfs/dbraw/zinc/16/16/43/573161643.db2.gz JMDPRQZAEKLHLE-UHFFFAOYSA-N 0 0 193.275 1.876 10 0 ADAERN Cc1ncc(CNn2cccc2)s1 85829100 573161658 /nfs/dbraw/zinc/16/16/58/573161658.db2.gz UMCKAJOIQVFGEN-UHFFFAOYSA-N 0 0 193.275 1.997 10 0 ADAERN c1ccn(N[C@@H]2CCCSC2)c1 85829457 573161678 /nfs/dbraw/zinc/16/16/78/573161678.db2.gz HJTGSCDPEDPXAG-SECBINFHSA-N 0 0 182.292 1.927 10 0 ADAERN CC(=O)[C@H](N)c1cccc(C)c1N 104669505 573161706 /nfs/dbraw/zinc/16/17/06/573161706.db2.gz QQLHYUILRPGEFH-JTQLQIEISA-N 0 0 178.235 1.166 10 0 ADAERN CSCC[C@@H](O)[C@@H]1CCOC1 82679548 573161683 /nfs/dbraw/zinc/16/16/83/573161683.db2.gz APTCZWFUTIGOLY-HTQZYQBOSA-N 0 0 176.281 1.137 10 0 ADAERN CO[C@@H]1CNc2cc(C)ccc2C1 257954700 573161684 /nfs/dbraw/zinc/16/16/84/573161684.db2.gz WTAVJNCFWJIFRN-JTQLQIEISA-N 0 0 177.247 1.978 10 0 ADAERN CCOC(=O)CNCC1(F)CCC1 308285685 573161700 /nfs/dbraw/zinc/16/17/00/573161700.db2.gz BTUUPJPSUUTTGF-UHFFFAOYSA-N 0 0 189.230 1.031 10 0 ADAERN c1ccn(NCc2cnco2)c1 85828630 573161717 /nfs/dbraw/zinc/16/17/17/573161717.db2.gz RDMFEJKOQQOCIM-UHFFFAOYSA-N 0 0 163.180 1.220 10 0 ADAERN O[C@@H](C1CCCC1)[C@@H]1CCCOC1 82678172 573161729 /nfs/dbraw/zinc/16/17/29/573161729.db2.gz PHEQWJWVIUXJLV-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN ONCc1ccc(CC2(O)CC2)cc1 259349554 573161739 /nfs/dbraw/zinc/16/17/39/573161739.db2.gz GGOMPYFWCQYSHP-UHFFFAOYSA-N 0 0 193.246 1.233 10 0 ADAERN Oc1ccc2c(c1)[C@H]1C[C@H]1CN2 258562184 573161806 /nfs/dbraw/zinc/16/18/06/573161806.db2.gz QQERSSRLQDVOIT-XPUUQOCRSA-N 0 0 161.204 1.921 10 0 ADAERN C[C@]1(c2nc(O)c[nH]2)CCCCO1 235728664 573161814 /nfs/dbraw/zinc/16/18/14/573161814.db2.gz OZZMNYMZDASVOP-SECBINFHSA-N 0 0 182.223 1.531 10 0 ADAERN Cn1cncc1C(=O)c1ccsc1 115111657 573161833 /nfs/dbraw/zinc/16/18/33/573161833.db2.gz XGSVQOPNDHXYSG-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN C[C@H](c1ccc(C(=O)[O-])o1)[NH+](C)C 85828032 573161838 /nfs/dbraw/zinc/16/18/38/573161838.db2.gz BPWOJMXFPUZFLZ-ZCFIWIBFSA-N 0 0 183.207 1.600 10 0 ADAERN Nc1cc(-c2cccs2)c(=O)[nH]n1 258560682 573161868 /nfs/dbraw/zinc/16/18/68/573161868.db2.gz KBQNFDRGFDCXQL-UHFFFAOYSA-N 0 0 193.231 1.081 10 0 ADAERN CCc1ccc([C@@H](O)[C@@H]2CCOC2)o1 82677626 573161869 /nfs/dbraw/zinc/16/18/69/573161869.db2.gz JLWACSSNUSJTFJ-KCJUWKMLSA-N 0 0 196.246 1.912 10 0 ADAERN Cc1ccc(C)n1N[C@@H](C)C(C)(C)O 85829855 573161880 /nfs/dbraw/zinc/16/18/80/573161880.db2.gz VDSDFKJYIVLUPR-JTQLQIEISA-N 0 0 196.294 1.808 10 0 ADAERN O=c1cc(N2CCC[C@@H](F)C2)cn[nH]1 689927081 573161885 /nfs/dbraw/zinc/16/18/85/573161885.db2.gz IARHGIHAOSOSMP-SSDOTTSWSA-N 0 0 197.213 1.121 10 0 ADAERN O[C@@H](c1ccoc1)[C@H]1CCOC1 82677719 573162319 /nfs/dbraw/zinc/16/23/19/573162319.db2.gz BIJLTANTOKFODR-IUCAKERBSA-N 0 0 168.192 1.350 10 0 ADAERN Cc1nc[nH]c1CNn1cccc1 85829109 573161908 /nfs/dbraw/zinc/16/19/08/573161908.db2.gz ZXPAFGMQGNPJIY-UHFFFAOYSA-N 0 0 176.223 1.263 10 0 ADAERN O=c1cc([C@H]2CCCCO2)[nH][nH]1 258559991 573161911 /nfs/dbraw/zinc/16/19/11/573161911.db2.gz QIIWFMRKCAXVHO-SSDOTTSWSA-N 0 0 168.196 1.357 10 0 ADAERN CC(=O)[C@H](N)c1ccc(C)s1 104670990 573161919 /nfs/dbraw/zinc/16/19/19/573161919.db2.gz QBGOOJNKTDHRCO-QMMMGPOBSA-N 0 0 169.249 1.645 10 0 ADAERN Nc1cccc2c1[C@H](CO)CC2 258562129 573161938 /nfs/dbraw/zinc/16/19/38/573161938.db2.gz QPKQRNDWZPVYDF-QMMMGPOBSA-N 0 0 163.220 1.291 10 0 ADAERN Cn1cc([C@H](O)[C@@H]2CC=CCC2)cn1 82678674 573161945 /nfs/dbraw/zinc/16/19/45/573161945.db2.gz KEEUNJATLKCSEA-MWLCHTKSSA-N 0 0 192.262 1.810 10 0 ADAERN O[C@H](c1cncnc1)[C@@H]1CC=CCC1 82678704 573161951 /nfs/dbraw/zinc/16/19/51/573161951.db2.gz NBZNAUWNPSFRCP-KOLCDFICSA-N 0 0 190.246 1.866 10 0 ADAERN C[C@H]1CC(=O)N(C2CCCCC2)N1 257954699 573161954 /nfs/dbraw/zinc/16/19/54/573161954.db2.gz WSZFJVRREQFJKI-QMMMGPOBSA-N 0 0 182.267 1.445 10 0 ADAERN CCO[C@H]1C[C@H](C)NC(=O)N1CC 238297457 573161955 /nfs/dbraw/zinc/16/19/55/573161955.db2.gz QXYHKJVEWZKODJ-YUMQZZPRSA-N 0 0 186.255 1.173 10 0 ADAERN C[C@@H]1C[C@@H](Nn2cccc2)CCO1 85829302 573161966 /nfs/dbraw/zinc/16/19/66/573161966.db2.gz UFWJZIJJHGYPBX-ZJUUUORDSA-N 0 0 180.251 1.599 10 0 ADAERN CCOCc1noc(NC(C)=O)c1C 238296984 573161982 /nfs/dbraw/zinc/16/19/82/573161982.db2.gz OVTRCNZTXSKPMM-UHFFFAOYSA-N 0 0 198.222 1.478 10 0 ADAERN O=N[C@@H]1NC[C@@H]2CCCC[C@H]12 115065988 573161993 /nfs/dbraw/zinc/16/19/93/573161993.db2.gz LWMCFRDUEPXWGV-FXQIFTODSA-N 0 0 154.213 1.489 10 0 ADAERN Cn1cc([C@@H](O)[C@H]2CC=CCC2)cn1 82678672 573161998 /nfs/dbraw/zinc/16/19/98/573161998.db2.gz KEEUNJATLKCSEA-ONGXEEELSA-N 0 0 192.262 1.810 10 0 ADAERN Cc1ccc(C)n1N[C@H]1CCCOC1 85830129 573162012 /nfs/dbraw/zinc/16/20/12/573162012.db2.gz NPTVKXSTZVLSHT-NSHDSACASA-N 0 0 194.278 1.827 10 0 ADAERN Cc1ncc([C@H](CC(C)C)NN)n1C 308507382 573162019 /nfs/dbraw/zinc/16/20/19/573162019.db2.gz ZRRYJTGSQDMELQ-VIFPVBQESA-N 0 0 196.298 1.279 10 0 ADAERN C=CC(=O)Nn1c(C)ccc1C 85830194 573162032 /nfs/dbraw/zinc/16/20/32/573162032.db2.gz QJXITXVORGQNPK-UHFFFAOYSA-N 0 0 164.208 1.361 10 0 ADAERN CC[C@H](C)C(=O)OCc1cnoc1 308285822 573162042 /nfs/dbraw/zinc/16/20/42/573162042.db2.gz DHOKWRZDTAOFDX-ZETCQYMHSA-N 0 0 183.207 1.764 10 0 ADAERN CC(C)(O)CC(C)(C)CO 115153501 573162081 /nfs/dbraw/zinc/16/20/81/573162081.db2.gz UPQBAPMBTTWGMM-UHFFFAOYSA-N 0 0 146.230 1.166 10 0 ADAERN Cc1ccc([C@](C)([NH3+])C(=O)[O-])cc1F 82703868 573162108 /nfs/dbraw/zinc/16/21/08/573162108.db2.gz LGBHJPZMKHJPQB-JTQLQIEISA-N 0 0 197.209 1.393 10 0 ADAERN C[C@]1(COC(=O)C(F)F)CCOC1 308285350 573162109 /nfs/dbraw/zinc/16/21/09/573162109.db2.gz DCTKAOXEEAQYQI-QMMMGPOBSA-N 0 0 194.177 1.221 10 0 ADAERN Cc1cccc([C@@H]2CCON2)c1 258558668 573162732 /nfs/dbraw/zinc/16/27/32/573162732.db2.gz QHIVZRLYIWSAKW-JTQLQIEISA-N 0 0 163.220 1.961 10 0 ADAERN CCC[C@@H](O)[C@H]1CCCOC1 82678242 573162136 /nfs/dbraw/zinc/16/21/36/573162136.db2.gz LXJZZQVQZXTFSO-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CCCC[C@@H](O)[C@@H]1CCOC1 82679194 573162144 /nfs/dbraw/zinc/16/21/44/573162144.db2.gz CWEHIRWCWSKWJB-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN O[C@H]1CCCCC[C@@H]1Nn1cccc1 85830291 573162163 /nfs/dbraw/zinc/16/21/63/573162163.db2.gz GFWJCWZOSUMLMW-QWRGUYRKSA-N 0 0 194.278 1.725 10 0 ADAERN c1ccn(NCc2cc[nH]c2)c1 85828275 573162171 /nfs/dbraw/zinc/16/21/71/573162171.db2.gz MOCIFUWBWJRGRT-UHFFFAOYSA-N 0 0 161.208 1.560 10 0 ADAERN Cc1nc([C@@H]2CCCOC2)oc1C=O 258236763 573162198 /nfs/dbraw/zinc/16/21/98/573162198.db2.gz ZZJWQIUIAXQLIF-MRVPVSSYSA-N 0 0 195.218 1.690 10 0 ADAERN [NH3+][C@H]1COc2cc([S-])ccc21 104670411 573162200 /nfs/dbraw/zinc/16/22/00/573162200.db2.gz YCSOFNSFPLAERM-ZETCQYMHSA-N 0 0 167.233 1.368 10 0 ADAERN c1ccn(NCC2CCOCC2)c1 85828428 573162205 /nfs/dbraw/zinc/16/22/05/573162205.db2.gz AKFWWRTVEQQZTK-UHFFFAOYSA-N 0 0 180.251 1.458 10 0 ADAERN CCc1ccc([C@@H](O)[C@H]2CCOC2)o1 82677632 573162219 /nfs/dbraw/zinc/16/22/19/573162219.db2.gz JLWACSSNUSJTFJ-KWQFWETISA-N 0 0 196.246 1.912 10 0 ADAERN CC(=O)c1nc(CC(C)(C)C)no1 82675226 573162226 /nfs/dbraw/zinc/16/22/26/573162226.db2.gz LSLHCVLNDADWKO-UHFFFAOYSA-N 0 0 182.223 1.861 10 0 ADAERN CC[C@@](C)(O)/C=C/[C@H](C)O 238297192 573162249 /nfs/dbraw/zinc/16/22/49/573162249.db2.gz PXOWREYYJJETRU-LXBADBFVSA-N 0 0 144.214 1.084 10 0 ADAERN c1ccn(NC2CCC2)c1 85829102 573162261 /nfs/dbraw/zinc/16/22/61/573162261.db2.gz FUZJWZHJOMKAGH-UHFFFAOYSA-N 0 0 136.198 1.584 10 0 ADAERN CCCCNC(=O)[C@H]1CC[C@H](O)C1 308285057 573162272 /nfs/dbraw/zinc/16/22/72/573162272.db2.gz ANILNCVXHKYOFT-IUCAKERBSA-N 0 0 185.267 1.064 10 0 ADAERN Cn1cncc1-c1ccc(O)c(F)c1 115137981 573162274 /nfs/dbraw/zinc/16/22/74/573162274.db2.gz XCQUKADRYHZTGU-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CCc1nc(N)nc(CC(C)(C)C)n1 82675437 573162315 /nfs/dbraw/zinc/16/23/15/573162315.db2.gz MUGVYJQGYPMEII-UHFFFAOYSA-N 0 0 194.282 1.605 10 0 ADAERN CCO[C@H]1C[C@@]12CCCC2=O 238297161 573162346 /nfs/dbraw/zinc/16/23/46/573162346.db2.gz BULQVAQFZSPEQD-DTWKUNHWSA-N 0 0 154.209 1.535 10 0 ADAERN Cc1ncsc1CNn1cccc1 85828938 573162348 /nfs/dbraw/zinc/16/23/48/573162348.db2.gz URHGKOAYMAMGLB-UHFFFAOYSA-N 0 0 193.275 1.997 10 0 ADAERN CN(C)[C@@H](O)c1ccc(F)c(F)c1 259349868 573162740 /nfs/dbraw/zinc/16/27/40/573162740.db2.gz FOSWUBGBZYXCAL-VIFPVBQESA-N 0 0 187.189 1.517 10 0 ADAERN CC[C@@H]1[C@H](C)C=C[C@@](O)(CC)[C@@H]1O 238297472 573162367 /nfs/dbraw/zinc/16/23/67/573162367.db2.gz HKFJOLZYDLWBPI-DBIOUOCHSA-N 0 0 184.279 1.721 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)OCCCF 308284778 573162372 /nfs/dbraw/zinc/16/23/72/573162372.db2.gz BESGQXUDRIVWBR-JGVFFNPUSA-N 0 0 190.214 1.314 10 0 ADAERN Cc1ccc([C@H](O)[C@H]2CCOC2)o1 82675821 573162389 /nfs/dbraw/zinc/16/23/89/573162389.db2.gz NXCJNGRBEMHBKS-WCBMZHEXSA-N 0 0 182.219 1.658 10 0 ADAERN C1=CO[C@H](CNn2cccc2)CC1 85828219 573162392 /nfs/dbraw/zinc/16/23/92/573162392.db2.gz PLVSSFMWJGQGGN-JTQLQIEISA-N 0 0 178.235 1.724 10 0 ADAERN O[C@@H](C1CCCC1)C1CCOCC1 82678086 573162429 /nfs/dbraw/zinc/16/24/29/573162429.db2.gz BYTJRGOQORTSQW-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN O=c1ccc(C[C@H]2CCCCO2)n[nH]1 259349519 573162432 /nfs/dbraw/zinc/16/24/32/573162432.db2.gz GGJJBRHKUPAGPC-SECBINFHSA-N 0 0 194.234 1.294 10 0 ADAERN C/C=C/CCNC(=O)C1CC1 123749471 573162433 /nfs/dbraw/zinc/16/24/33/573162433.db2.gz OJXCTHYGQVJENJ-NSCUHMNNSA-N 0 0 153.225 1.479 10 0 ADAERN c1ccn(NCC2CC2)c1 85828530 573162444 /nfs/dbraw/zinc/16/24/44/573162444.db2.gz SWHYQQJFBMRENR-UHFFFAOYSA-N 0 0 136.198 1.442 10 0 ADAERN CCOc1cnc(C2CC2)o1 258560601 573162462 /nfs/dbraw/zinc/16/24/62/573162462.db2.gz IVTHNDQPMBBIRW-UHFFFAOYSA-N 0 0 153.181 1.951 10 0 ADAERN CCC(=O)CNC(=O)C(F)=C(C)C 308285347 573162467 /nfs/dbraw/zinc/16/24/67/573162467.db2.gz DCQFFLRFELGTHF-UHFFFAOYSA-N 0 0 187.214 1.345 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@H+](C)CCC1CC1 308511009 573162485 /nfs/dbraw/zinc/16/24/85/573162485.db2.gz KXYGORXMVIYHGS-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1n[nH]cc1CNn1cccc1 85829416 573162495 /nfs/dbraw/zinc/16/24/95/573162495.db2.gz SLVHMJRBLBQGDL-UHFFFAOYSA-N 0 0 176.223 1.263 10 0 ADAERN CC[C@H](C)Nn1cccc1 85828696 573162554 /nfs/dbraw/zinc/16/25/54/573162554.db2.gz KATUYPOIMPGTCH-QMMMGPOBSA-N 0 0 138.214 1.830 10 0 ADAERN c1ccn(N[C@H]2CCCOC2)c1 85829468 573162562 /nfs/dbraw/zinc/16/25/62/573162562.db2.gz QQWFCKQGOXNWOQ-VIFPVBQESA-N 0 0 166.224 1.211 10 0 ADAERN Cc1ccc(C)n1N[C@H]1CCOC1 85829656 573162567 /nfs/dbraw/zinc/16/25/67/573162567.db2.gz UDJHQLFYXHUDHL-JTQLQIEISA-N 0 0 180.251 1.437 10 0 ADAERN c1ccn(NCc2ccoc2)c1 85829070 573162575 /nfs/dbraw/zinc/16/25/75/573162575.db2.gz CSERPWUVPCVELU-UHFFFAOYSA-N 0 0 162.192 1.825 10 0 ADAERN CC1=C[C@H](N)N(c2ccccc2)N1C 238296768 573162582 /nfs/dbraw/zinc/16/25/82/573162582.db2.gz CWHURAANFIEDKU-LLVKDONJSA-N 0 0 189.262 1.542 10 0 ADAERN c1ccn(NC[C@@H]2CCCOC2)c1 85828735 573162586 /nfs/dbraw/zinc/16/25/86/573162586.db2.gz PJHNZZCQVXRNPI-JTQLQIEISA-N 0 0 180.251 1.458 10 0 ADAERN CCC(=O)N(CC(C)(C)O)C(C)C 308285337 573162590 /nfs/dbraw/zinc/16/25/90/573162590.db2.gz DCFUGKAQZYFWKU-UHFFFAOYSA-N 0 0 187.283 1.404 10 0 ADAERN Cc1cccc([C@H]2CCON2)c1 258558674 573162591 /nfs/dbraw/zinc/16/25/91/573162591.db2.gz QHIVZRLYIWSAKW-SNVBAGLBSA-N 0 0 163.220 1.961 10 0 ADAERN CCc1ccc(-c2nc(N)no2)o1 85827333 573162598 /nfs/dbraw/zinc/16/25/98/573162598.db2.gz OWECELHGLVYEFV-UHFFFAOYSA-N 0 0 179.179 1.474 10 0 ADAERN C[C@H](CO)S[C@@H]1CCCCO1 642855924 573162612 /nfs/dbraw/zinc/16/26/12/573162612.db2.gz KCWZVWTXGCQVPV-HTQZYQBOSA-N 0 0 176.281 1.627 10 0 ADAERN C/C=C\[C@H](O)CC(=O)CCC 225551852 573162628 /nfs/dbraw/zinc/16/26/28/573162628.db2.gz KDQNUDSVFLUIRU-NHLYECAPSA-N 0 0 156.225 1.683 10 0 ADAERN CCO[C@H]1C[C@@]12CCCCC2=O 238297172 573162672 /nfs/dbraw/zinc/16/26/72/573162672.db2.gz ISTBQRRZYKUNBY-VHSXEESVSA-N 0 0 168.236 1.925 10 0 ADAERN Oc1ccc2c(c1)[C@@H]1C[C@@H]1CN2 258562173 573162685 /nfs/dbraw/zinc/16/26/85/573162685.db2.gz QQERSSRLQDVOIT-HTRCEHHLSA-N 0 0 161.204 1.921 10 0 ADAERN C[C@]12CC(=O)C[C@@H]1CCCC2=O 223911506 573162690 /nfs/dbraw/zinc/16/26/90/573162690.db2.gz FWJVAJLNGZXVAD-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN [NH3+][C@H]1CCOc2cc([S-])ccc21 104673823 573162693 /nfs/dbraw/zinc/16/26/93/573162693.db2.gz VKRPEQFHNLUHKM-QMMMGPOBSA-N 0 0 181.260 1.758 10 0 ADAERN CCCc1nc(C[NH2+]CC)[nH]c1C 258482368 573162707 /nfs/dbraw/zinc/16/27/07/573162707.db2.gz CAIKGJDQEWQXEN-UHFFFAOYSA-N 0 0 181.283 1.780 10 0 ADAERN Cc1noc(C)c1CNn1cccc1 85828370 573163578 /nfs/dbraw/zinc/16/35/78/573163578.db2.gz QEVWNRADMYZRRT-UHFFFAOYSA-N 0 0 191.234 1.837 10 0 ADAERN C[C@@H](Nn1cccc1)c1nccn1C 85828561 573162957 /nfs/dbraw/zinc/16/29/57/573162957.db2.gz SZHKIMJCQJRTMM-SECBINFHSA-N 0 0 190.250 1.526 10 0 ADAERN C1CCC([C@H]2CNOC2)C1 258562239 573162961 /nfs/dbraw/zinc/16/29/61/573162961.db2.gz QRKROSSDSUDLNO-QMMMGPOBSA-N 0 0 141.214 1.328 10 0 ADAERN CCc1ccc(-c2nc(CN)no2)o1 85827300 573162968 /nfs/dbraw/zinc/16/29/68/573162968.db2.gz FIMGTHAKGLSZDW-UHFFFAOYSA-N 0 0 193.206 1.351 10 0 ADAERN CCO[C@@H](C)c1nc(C)cc(=O)[nH]1 82737657 573162970 /nfs/dbraw/zinc/16/29/70/573162970.db2.gz TYOSEONVRJNSDA-ZETCQYMHSA-N 0 0 182.223 1.176 10 0 ADAERN CC[C@@H]1C[C@@H](Nn2cccc2)CCO1 85828768 573162981 /nfs/dbraw/zinc/16/29/81/573162981.db2.gz RYCFPBFUAVCQHP-WDEREUQCSA-N 0 0 194.278 1.989 10 0 ADAERN Cc1nc(N)ccc1-c1cncnc1 82730137 573162989 /nfs/dbraw/zinc/16/29/89/573162989.db2.gz QAGGUYLMODAKSF-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[N@H+](Cc1cnc(C)[nH]1)C(C)C 308285334 573162995 /nfs/dbraw/zinc/16/29/95/573162995.db2.gz DBZKXZLJRARFDR-UHFFFAOYSA-N 0 0 181.283 1.948 10 0 ADAERN C[C@H](Nn1cccc1)c1cnccn1 85828773 573162996 /nfs/dbraw/zinc/16/29/96/573162996.db2.gz CKHYODRLJVARQY-VIFPVBQESA-N 0 0 188.234 1.583 10 0 ADAERN Oc1ccc(OCc2cnco2)cc1 258236464 573163795 /nfs/dbraw/zinc/16/37/95/573163795.db2.gz QHHVEIJISACGLT-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN CC(=O)Nc1ccc(SN)cc1 259347017 573163053 /nfs/dbraw/zinc/16/30/53/573163053.db2.gz YLBAXKOAMSTVGF-UHFFFAOYSA-N 0 0 182.248 1.611 10 0 ADAERN Cc1[nH]c(C=O)nc1-c1ccccn1 258561549 573163102 /nfs/dbraw/zinc/16/31/02/573163102.db2.gz MFTBVAIRTQSUCE-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN C=COCCCNC(=O)[C@@H]1C[C@@H]1C 308285159 573163121 /nfs/dbraw/zinc/16/31/21/573163121.db2.gz YRPATAKLSHNOCK-DTWKUNHWSA-N 0 0 183.251 1.309 10 0 ADAERN Cc1cccc([C@@H](CO)C2COC2)c1 258559071 573163136 /nfs/dbraw/zinc/16/31/36/573163136.db2.gz JZDSQLVLAVAXLT-GFCCVEGCSA-N 0 0 192.258 1.717 10 0 ADAERN Cc1ncc([C@@H](CC(C)C)NN)n1C 308507381 573163143 /nfs/dbraw/zinc/16/31/43/573163143.db2.gz ZRRYJTGSQDMELQ-SECBINFHSA-N 0 0 196.298 1.279 10 0 ADAERN c1ccn(N[C@@H]2CCCOCC2)c1 85829515 573163145 /nfs/dbraw/zinc/16/31/45/573163145.db2.gz KGOUUBIWQKXISY-SNVBAGLBSA-N 0 0 180.251 1.601 10 0 ADAERN C[C@H](O)c1coc([C@H]2CCCOC2)n1 257954766 573163184 /nfs/dbraw/zinc/16/31/84/573163184.db2.gz FYDARWRLNBKBQH-YUMQZZPRSA-N 0 0 197.234 1.622 10 0 ADAERN Cc1cc2cc(N)ccc2c(=O)[nH]1 257958828 573163209 /nfs/dbraw/zinc/16/32/09/573163209.db2.gz DCJZVQRLHYFIFH-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN CN(SC(F)(F)F)C(N)=O 238296883 573163224 /nfs/dbraw/zinc/16/32/24/573163224.db2.gz ZWTMHBQLUAIBFU-UHFFFAOYSA-N 0 0 174.147 1.165 10 0 ADAERN Nc1nnccc1-c1ccco1 258558805 573163237 /nfs/dbraw/zinc/16/32/37/573163237.db2.gz JUNIMYFSMZQGJN-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN c1ccc(CNn2cccc2)nc1 85828398 573163242 /nfs/dbraw/zinc/16/32/42/573163242.db2.gz YWFAAPMLMJMEKW-UHFFFAOYSA-N 0 0 173.219 1.627 10 0 ADAERN CCC(C)(C)CCN(CCO)OC 308285797 573163247 /nfs/dbraw/zinc/16/32/47/573163247.db2.gz DGRMCKRJEDUFQU-UHFFFAOYSA-N 0 0 189.299 1.668 10 0 ADAERN CC[C@H]1COCCN1C(=O)C(C)(C)C 82738146 573163248 /nfs/dbraw/zinc/16/32/48/573163248.db2.gz QSOPVWOBGJNUBA-VIFPVBQESA-N 0 0 199.294 1.670 10 0 ADAERN c1ccn(NC2CCCC2)c1 85828795 573163249 /nfs/dbraw/zinc/16/32/49/573163249.db2.gz ULNPOOKCKFDSJC-UHFFFAOYSA-N 0 0 150.225 1.974 10 0 ADAERN Cc1cc(N)ncc1-c1cncnc1 82730085 573163269 /nfs/dbraw/zinc/16/32/69/573163269.db2.gz OAVLHGOVBKDTRB-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN NC(=O)Cc1cc2ccccc2s1 115068599 573163270 /nfs/dbraw/zinc/16/32/70/573163270.db2.gz RVBMORRFIVVMNG-UHFFFAOYSA-N 0 0 191.255 1.929 10 0 ADAERN CCCC(=O)COC(=O)CC1CC1 308285364 573163294 /nfs/dbraw/zinc/16/32/94/573163294.db2.gz DDNXKCLYOURLFJ-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CCC/C(C)=C(\C#N)C(=O)OC 1677104 573163344 /nfs/dbraw/zinc/16/33/44/573163344.db2.gz QDWMXVNLLIHVKD-BQYQJAHWSA-N 0 0 167.208 1.800 10 0 ADAERN CC(O)=C(F)C(=O)C(C)(C)C 115080005 573163406 /nfs/dbraw/zinc/16/34/06/573163406.db2.gz QYTQKFOJBKOKRY-LURJTMIESA-N 0 0 160.188 1.529 10 0 ADAERN CCc1cccc([C@H]2CNC(=O)C2)c1 238297601 573163431 /nfs/dbraw/zinc/16/34/31/573163431.db2.gz ASYHOYVLDFPIMO-LLVKDONJSA-N 0 0 189.258 1.853 10 0 ADAERN Cc1ccc(C)n1NC[C@H]1CCOC1 85829808 573163821 /nfs/dbraw/zinc/16/38/21/573163821.db2.gz YHQXLKSSHJCWNB-LLVKDONJSA-N 0 0 194.278 1.685 10 0 ADAERN CC(=O)[C@@H](N)c1cncc(Cl)c1 104675101 573163438 /nfs/dbraw/zinc/16/34/38/573163438.db2.gz GCTYQUZQPIUGCD-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN C[C@H](O)C(=O)C[C@H]1CC=CCC1 402220090 573163841 /nfs/dbraw/zinc/16/38/41/573163841.db2.gz SDFNHWOBOPGTBD-IUCAKERBSA-N 0 0 168.236 1.683 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[C@H]21 715254480 573163458 /nfs/dbraw/zinc/16/34/58/573163458.db2.gz GMRWOVAUFIXYOF-VAPHQMJDSA-N 0 0 195.262 1.095 10 0 ADAERN CC(C)C[C@@H](CO)CC1COC1 258559130 573163465 /nfs/dbraw/zinc/16/34/65/573163465.db2.gz JZZXOQNRUBKCTA-SECBINFHSA-N 0 0 172.268 1.678 10 0 ADAERN CC(=O)c1cnoc1C[C@H]1CCOC1 259349315 573163822 /nfs/dbraw/zinc/16/38/22/573163822.db2.gz UIICGFLHDIULNL-MRVPVSSYSA-N 0 0 195.218 1.456 10 0 ADAERN CC(C)C[C@H](CO)CC1COC1 258559136 573163729 /nfs/dbraw/zinc/16/37/29/573163729.db2.gz JZZXOQNRUBKCTA-VIFPVBQESA-N 0 0 172.268 1.678 10 0 ADAERN CCSc1cc(N)nc(N(C)C)n1 238297929 573163824 /nfs/dbraw/zinc/16/38/24/573163824.db2.gz UMKFZCPSBXLXMN-UHFFFAOYSA-N 0 0 198.295 1.237 10 0 ADAERN CCOC(=O)[C@H]1CCc2nc(C)oc21 259602232 573163480 /nfs/dbraw/zinc/16/34/80/573163480.db2.gz CWJQLRVGMTXCSQ-ZETCQYMHSA-N 0 0 195.218 1.576 10 0 ADAERN C[C@@H](NCC1(O)CCC1)C(F)(F)F 308285523 573163486 /nfs/dbraw/zinc/16/34/86/573163486.db2.gz YVBQDKYTFDKQJP-ZCFIWIBFSA-N 0 0 197.200 1.442 10 0 ADAERN CCCOC[C@H](O)c1ccc(F)nc1 686127550 573163498 /nfs/dbraw/zinc/16/34/98/573163498.db2.gz BPOQPQVOKGGEGF-VIFPVBQESA-N 0 0 199.225 1.681 10 0 ADAERN CCOCc1ccc2c(c1)NC(=O)C2 238297244 573163500 /nfs/dbraw/zinc/16/35/00/573163500.db2.gz OJRGHZOVKZARPP-UHFFFAOYSA-N 0 0 191.230 1.718 10 0 ADAERN c1ccn(NC[C@@H]2CCOC2)c1 85828831 573163516 /nfs/dbraw/zinc/16/35/16/573163516.db2.gz MDUATVGCDHDBJL-VIFPVBQESA-N 0 0 166.224 1.068 10 0 ADAERN c1ccn(N[C@@H]2CCSC2)c1 85828648 573163600 /nfs/dbraw/zinc/16/36/00/573163600.db2.gz RTKNRSJSCCAKAJ-MRVPVSSYSA-N 0 0 168.265 1.537 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)C(=O)C(F)(F)F 82738201 573163606 /nfs/dbraw/zinc/16/36/06/573163606.db2.gz HDSWHAQUFFIHHK-RITPCOANSA-N 0 0 195.184 1.663 10 0 ADAERN CC1(C)C[C@@H](Nn2cccc2)CCO1 85828468 573163611 /nfs/dbraw/zinc/16/36/11/573163611.db2.gz LMHLUNICRXPMKL-JTQLQIEISA-N 0 0 194.278 1.989 10 0 ADAERN c1ccn(N[C@H]2CCCSC2)c1 85829459 573163655 /nfs/dbraw/zinc/16/36/55/573163655.db2.gz HJTGSCDPEDPXAG-VIFPVBQESA-N 0 0 182.292 1.927 10 0 ADAERN C[C@H](Nn1cccc1)c1nccn1C 85828558 573163663 /nfs/dbraw/zinc/16/36/63/573163663.db2.gz SZHKIMJCQJRTMM-VIFPVBQESA-N 0 0 190.250 1.526 10 0 ADAERN CC(=O)[C@@H](N)c1c(C)cccc1F 104674368 573163677 /nfs/dbraw/zinc/16/36/77/573163677.db2.gz WTYCHHJHCLANRH-SNVBAGLBSA-N 0 0 181.210 1.723 10 0 ADAERN O=c1cc([C@@H]2CCCCO2)[nH][nH]1 258559994 573163711 /nfs/dbraw/zinc/16/37/11/573163711.db2.gz QIIWFMRKCAXVHO-ZETCQYMHSA-N 0 0 168.196 1.357 10 0 ADAERN O=c1ccc(C[C@@H]2CCCCO2)n[nH]1 259349523 573163712 /nfs/dbraw/zinc/16/37/12/573163712.db2.gz GGJJBRHKUPAGPC-VIFPVBQESA-N 0 0 194.234 1.294 10 0 ADAERN C[C@@H](Nn1cccc1)c1cnccn1 85828774 573163844 /nfs/dbraw/zinc/16/38/44/573163844.db2.gz CKHYODRLJVARQY-SECBINFHSA-N 0 0 188.234 1.583 10 0 ADAERN c1ccc(CNc2cncnc2)nc1 82711437 573163767 /nfs/dbraw/zinc/16/37/67/573163767.db2.gz AGGBKIPNDVVNHH-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN CC(=O)[C@@H](N)c1csc(C)n1 104675217 573163777 /nfs/dbraw/zinc/16/37/77/573163777.db2.gz PTPUELGXWVNTKP-SSDOTTSWSA-N 0 0 170.237 1.040 10 0 ADAERN CC[C@H](O)C(=O)OCCCCCF 308285524 573163781 /nfs/dbraw/zinc/16/37/81/573163781.db2.gz ASPAVRVIPARNOB-QMMMGPOBSA-N 0 0 192.230 1.440 10 0 ADAERN Cc1cc(-c2cnn(C)c2)cnc1N 82730026 573164340 /nfs/dbraw/zinc/16/43/40/573164340.db2.gz KFESASUBHSTSLF-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCO[C@H]1C[C@H]2C(=O)CC[C@@H]12 238297064 573164214 /nfs/dbraw/zinc/16/42/14/573164214.db2.gz ZSRRCVLTLFMRNU-BHNWBGBOSA-N 0 0 154.209 1.391 10 0 ADAERN CC1=C[C@@H](C)[C@@H](O)CC1 115158431 573164215 /nfs/dbraw/zinc/16/42/15/573164215.db2.gz FXYCOMKRZGEHPU-SFYZADRCSA-N 0 0 126.199 1.724 10 0 ADAERN CCc1cccc(CC(=O)NC=O)c1 238298305 573164149 /nfs/dbraw/zinc/16/41/49/573164149.db2.gz RVCYXPCJQZBFQZ-UHFFFAOYSA-N 0 0 191.230 1.064 10 0 ADAERN [NH3+][C@H](CCO)c1cccc([S-])c1 104675310 573164165 /nfs/dbraw/zinc/16/41/65/573164165.db2.gz MTWIMOXCPUCNDS-SECBINFHSA-N 0 0 183.276 1.358 10 0 ADAERN CC[C@H]1C(=O)C[C@@H]1OC 238296379 573164186 /nfs/dbraw/zinc/16/41/86/573164186.db2.gz AUQYMTGLGNVSSA-FSPLSTOPSA-N 0 0 128.171 1.000 10 0 ADAERN CN(c1ccc(F)cn1)C1CC1 238296540 573164193 /nfs/dbraw/zinc/16/41/93/573164193.db2.gz PHYJFPPOOGVLFK-UHFFFAOYSA-N 0 0 166.199 1.819 10 0 ADAERN O[C@@H]1CSCCCS1 115138365 573164195 /nfs/dbraw/zinc/16/41/95/573164195.db2.gz QQCAKSROZFJFFL-YFKPBYRVSA-N 0 0 150.268 1.175 10 0 ADAERN CCn1nc(N)c2c1CCCC2 258562220 573164198 /nfs/dbraw/zinc/16/41/98/573164198.db2.gz QRBKDLUPLCVIOW-UHFFFAOYSA-N 0 0 165.240 1.364 10 0 ADAERN CO[C@H]1CCCC[C@H]1Nn1cccc1 85828904 573164199 /nfs/dbraw/zinc/16/41/99/573164199.db2.gz SOPLFCPMIOTBJM-MNOVXSKESA-N 0 0 194.278 1.989 10 0 ADAERN C[C@@]12CC(=O)C[C@@H]1CCCC2=O 223911452 573164225 /nfs/dbraw/zinc/16/42/25/573164225.db2.gz FWJVAJLNGZXVAD-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN COc1cc(C=O)ccc1N(C)C 115115543 573164249 /nfs/dbraw/zinc/16/42/49/573164249.db2.gz ZZSKDKGGUHLIFE-UHFFFAOYSA-N 0 0 179.219 1.574 10 0 ADAERN CC[C@@H](C)N(C)C(=O)/C=C/COC 308289743 573164253 /nfs/dbraw/zinc/16/42/53/573164253.db2.gz GJLIDAPZWAQWJT-XCODYQFDSA-N 0 0 185.267 1.446 10 0 ADAERN CCONC(=O)N[C@H](C)CC1CC1 308289338 573165106 /nfs/dbraw/zinc/16/51/06/573165106.db2.gz CSYRVZXYQZEJAU-SSDOTTSWSA-N 0 0 186.255 1.426 10 0 ADAERN CCC[S@@](=O)[C@H](C)C(C)=O 82744245 573164313 /nfs/dbraw/zinc/16/43/13/573164313.db2.gz NGEUSLIPXSXHAX-XCBNKYQSSA-N 0 0 162.254 1.123 10 0 ADAERN CO[C@@H]1CCCC[C@H]1Nn1cccc1 85828902 573164345 /nfs/dbraw/zinc/16/43/45/573164345.db2.gz SOPLFCPMIOTBJM-GHMZBOCLSA-N 0 0 194.278 1.989 10 0 ADAERN Oc1cc(F)ccc1OC[C@H]1CO1 115105475 573164347 /nfs/dbraw/zinc/16/43/47/573164347.db2.gz OEJGZWLQRZJDNA-SSDOTTSWSA-N 0 0 184.166 1.309 10 0 ADAERN COC(C)(C)Cn1ccc(CO)c1 393615883 573164366 /nfs/dbraw/zinc/16/43/66/573164366.db2.gz KBONDCDYLGGUAO-UHFFFAOYSA-N 0 0 183.251 1.405 10 0 ADAERN CCCCNn1cccc1 85828835 573165216 /nfs/dbraw/zinc/16/52/16/573165216.db2.gz AXXHLOHTEVQCHY-UHFFFAOYSA-N 0 0 138.214 1.832 10 0 ADAERN c1cncc(CNn2cccc2)c1 85828800 573164384 /nfs/dbraw/zinc/16/43/84/573164384.db2.gz BQVYUTJYNCCIQT-UHFFFAOYSA-N 0 0 173.219 1.627 10 0 ADAERN CC(C)[C@H](C)CN1CCC(=O)C1=O 82737935 573164388 /nfs/dbraw/zinc/16/43/88/573164388.db2.gz UWJPHCGJZWIJAF-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN CC(=O)C1(C2CCCC2)COC1 258561404 573164414 /nfs/dbraw/zinc/16/44/14/573164414.db2.gz MAYMKYVXDFEBNZ-UHFFFAOYSA-N 0 0 168.236 1.782 10 0 ADAERN C[C@H](O)[C@H]([NH3+])c1cccc([S-])c1 104675226 573164424 /nfs/dbraw/zinc/16/44/24/573164424.db2.gz OWNPTIWRPHGLJR-RCOVLWMOSA-N 0 0 183.276 1.356 10 0 ADAERN CC(C)(C)[C@@H](O)C(=O)OC1CCC1 308289869 573164426 /nfs/dbraw/zinc/16/44/26/573164426.db2.gz FRYYLOZAQJBJQJ-QMMMGPOBSA-N 0 0 186.251 1.489 10 0 ADAERN OCCSc1ccc(O)c(F)c1 115141878 573164431 /nfs/dbraw/zinc/16/44/31/573164431.db2.gz CSCXQYFLVOVDMY-UHFFFAOYSA-N 0 0 188.223 1.616 10 0 ADAERN C[C@@H](Nn1cccc1)C1CC1 85828673 573164458 /nfs/dbraw/zinc/16/44/58/573164458.db2.gz HFAXPBDLSSXBGM-MRVPVSSYSA-N 0 0 150.225 1.830 10 0 ADAERN C[C@@H]1CCC[C@@H](C)C1[N@H+](C)CC(=O)[O-] 82718214 573164467 /nfs/dbraw/zinc/16/44/67/573164467.db2.gz NGLMYQLHBRMCKB-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1oc(CO)nc1C(C)C 258562218 573164468 /nfs/dbraw/zinc/16/44/68/573164468.db2.gz QRADQJAOTAXBEA-UHFFFAOYSA-N 0 0 155.197 1.599 10 0 ADAERN CC[C@@H]1[C@H](C)C=C(C)[C@@H](O)[C@@]1(C)CO 238297454 573165221 /nfs/dbraw/zinc/16/52/21/573165221.db2.gz NEAOWARMDLGOCM-HKWIRBFKSA-N 0 0 198.306 1.968 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1CC[N@@H+](C)C1 85829951 573164469 /nfs/dbraw/zinc/16/44/69/573164469.db2.gz BBHHRRLTUKISGT-LLVKDONJSA-N 0 0 193.294 1.353 10 0 ADAERN O=C([O-])CC1([NH+]2CCCCC2)CCC1 82737565 573164490 /nfs/dbraw/zinc/16/44/90/573164490.db2.gz FONNEDOCLLTIEH-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN CCSc1cc(N)c(N)c(CO)c1 238297573 573164495 /nfs/dbraw/zinc/16/44/95/573164495.db2.gz HXLWHBNUAVRHOT-UHFFFAOYSA-N 0 0 198.291 1.455 10 0 ADAERN CC(=O)[C@@H](N)c1cnc(F)c(C)c1 104675093 573164529 /nfs/dbraw/zinc/16/45/29/573164529.db2.gz WRLCBUODVRLREC-MRVPVSSYSA-N 0 0 182.198 1.118 10 0 ADAERN CCO[C@@H](C)C(=O)CC 82737666 573164530 /nfs/dbraw/zinc/16/45/30/573164530.db2.gz RHLIVHZCZQIOND-LURJTMIESA-N 0 0 130.187 1.391 10 0 ADAERN CC[C@H]1CCCC[C@H]1NC1=NCCO1 238296712 573164540 /nfs/dbraw/zinc/16/45/40/573164540.db2.gz BOQRGNPFKGUMHC-VHSXEESVSA-N 0 0 196.294 1.931 10 0 ADAERN CC(=O)[C@@]1(O)CCC[C@H](C)C1 115106793 573164550 /nfs/dbraw/zinc/16/45/50/573164550.db2.gz ITMIBNGBUOUCHA-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@H](O)C(=O)CC[C@H]1C[C@@H]1C1CC1 714843022 573164551 /nfs/dbraw/zinc/16/45/51/573164551.db2.gz GVPBFAAHYWJEBG-UJNFCWOMSA-N 0 0 182.263 1.763 10 0 ADAERN COc1cc(C=O)c2[nH]nc(C)c2c1 259349955 573164554 /nfs/dbraw/zinc/16/45/54/573164554.db2.gz HTYOSTLURAEXCI-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN Cn1nccc1CCC(=O)C(C)(C)F 308511716 573164562 /nfs/dbraw/zinc/16/45/62/573164562.db2.gz SMADRQBMFFEZKQ-UHFFFAOYSA-N 0 0 198.241 1.670 10 0 ADAERN C/C(=C\c1ccncn1)[N+](=O)[O-] 69638371 573164570 /nfs/dbraw/zinc/16/45/70/573164570.db2.gz CYLZMPGJKOZBFT-GQCTYLIASA-N 0 0 165.152 1.114 10 0 ADAERN C[C@H]1C[C@H](Nn2cccc2)CCO1 85829300 573164587 /nfs/dbraw/zinc/16/45/87/573164587.db2.gz UFWJZIJJHGYPBX-VHSXEESVSA-N 0 0 180.251 1.599 10 0 ADAERN CCc1cccc([C@H](N)C(C)=O)c1 104675040 573164607 /nfs/dbraw/zinc/16/46/07/573164607.db2.gz PSILYHDLEVPAOH-LLVKDONJSA-N 0 0 177.247 1.838 10 0 ADAERN O=c1ccc([C@H]2CCCCO2)n[nH]1 259349302 573164614 /nfs/dbraw/zinc/16/46/14/573164614.db2.gz GFCWZFQNKOKNLE-MRVPVSSYSA-N 0 0 180.207 1.424 10 0 ADAERN CCC(CC)Cn1cc(C=O)nn1 128903223 573164615 /nfs/dbraw/zinc/16/46/15/573164615.db2.gz ZVDCRACYGULMBG-UHFFFAOYSA-N 0 0 181.239 1.527 10 0 ADAERN COc1c(C)cnc(/C=C/CO)c1C 115126103 573164648 /nfs/dbraw/zinc/16/46/48/573164648.db2.gz DNDWQWJZFZSZSI-SNAWJCMRSA-N 0 0 193.246 1.713 10 0 ADAERN c1ccn(NC[C@H]2CCOC2)c1 85828832 573164667 /nfs/dbraw/zinc/16/46/67/573164667.db2.gz MDUATVGCDHDBJL-SECBINFHSA-N 0 0 166.224 1.068 10 0 ADAERN Cc1cccc(C(=O)CON)c1 258560221 573164669 /nfs/dbraw/zinc/16/46/69/573164669.db2.gz QMWWWXRFOSZHBB-UHFFFAOYSA-N 0 0 165.192 1.068 10 0 ADAERN CC(=O)[C@]1(O)CCC[C@@H](C)C1 115106794 573164676 /nfs/dbraw/zinc/16/46/76/573164676.db2.gz ITMIBNGBUOUCHA-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN CCOCCNc1cncc(F)c1 308300463 573164708 /nfs/dbraw/zinc/16/47/08/573164708.db2.gz KDCRGJIIXBYYSM-UHFFFAOYSA-N 0 0 184.214 1.669 10 0 ADAERN CCOc1nc(C)c2[nH]cnc2n1 238296426 573164709 /nfs/dbraw/zinc/16/47/09/573164709.db2.gz HKYGSZHNEATMSM-UHFFFAOYSA-N 0 0 178.195 1.060 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)C(=O)C(F)(F)F 82738199 573164713 /nfs/dbraw/zinc/16/47/13/573164713.db2.gz HDSWHAQUFFIHHK-PHDIDXHHSA-N 0 0 195.184 1.663 10 0 ADAERN CN1N=C(c2ccccc2)S[C@@H]1O 238297361 573164727 /nfs/dbraw/zinc/16/47/27/573164727.db2.gz OAZPNBMZHLXJIY-VIFPVBQESA-N 0 0 194.259 1.303 10 0 ADAERN c1ccn(N[C@H]2CCCOCC2)c1 85829516 573164740 /nfs/dbraw/zinc/16/47/40/573164740.db2.gz KGOUUBIWQKXISY-JTQLQIEISA-N 0 0 180.251 1.601 10 0 ADAERN CCC[C@@]1(C2CC2)C[NH2+]C[C@@H]1C(=O)[O-] 308513116 573164749 /nfs/dbraw/zinc/16/47/49/573164749.db2.gz CZPZTMVVEFYUEC-KOLCDFICSA-N 0 0 197.278 1.487 10 0 ADAERN CC[C@@H]1[C@H](C)[C@@H]1OCCO 238297863 573164750 /nfs/dbraw/zinc/16/47/50/573164750.db2.gz CJAXETAYPXTWAN-RNJXMRFFSA-N 0 0 144.214 1.040 10 0 ADAERN CC[C@@H](C)N(C(=O)N(C)C)C1CC1 308299882 573164751 /nfs/dbraw/zinc/16/47/51/573164751.db2.gz LKKQMMJPDRHVFX-MRVPVSSYSA-N 0 0 184.283 1.931 10 0 ADAERN CCc1ccc(-c2nnc(C)[nH]2)o1 85826987 573164769 /nfs/dbraw/zinc/16/47/69/573164769.db2.gz QMLQZJTZEHQMBL-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN CC(=O)[C@H](N)c1cccc(C)c1 104674356 573164786 /nfs/dbraw/zinc/16/47/86/573164786.db2.gz TYSJLKBTSDOTOB-JTQLQIEISA-N 0 0 163.220 1.584 10 0 ADAERN C[C@@H]1SC[C@H](O)S[C@@H]1C 115141483 573164788 /nfs/dbraw/zinc/16/47/88/573164788.db2.gz UKNKVJBYAGYPLR-KVQBGUIXSA-N 0 0 164.295 1.562 10 0 ADAERN C[C@@H](c1ccc(C(=O)[O-])o1)[NH+](C)C 85828028 573164825 /nfs/dbraw/zinc/16/48/25/573164825.db2.gz BPWOJMXFPUZFLZ-LURJTMIESA-N 0 0 183.207 1.600 10 0 ADAERN CC(=O)[C@@H](N)c1cccc(N)c1C 104675241 573164828 /nfs/dbraw/zinc/16/48/28/573164828.db2.gz APRVVSZQKUGDBA-SNVBAGLBSA-N 0 0 178.235 1.166 10 0 ADAERN CCSc1cc(N)nc(OC)n1 238297944 573164988 /nfs/dbraw/zinc/16/49/88/573164988.db2.gz RAZPDXAOWFQTIR-UHFFFAOYSA-N 0 0 185.252 1.179 10 0 ADAERN CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)[O-] 82717681 573164875 /nfs/dbraw/zinc/16/48/75/573164875.db2.gz YBKSBMYKCXKMSS-IUCAKERBSA-N 0 0 185.267 1.580 10 0 ADAERN Nc1cccc2c1OCC[C@H]2CO 257957606 573164877 /nfs/dbraw/zinc/16/48/77/573164877.db2.gz XAJYYKJGJDHNKO-ZETCQYMHSA-N 0 0 179.219 1.127 10 0 ADAERN c1ccn(NCc2cncs2)c1 85829505 573164888 /nfs/dbraw/zinc/16/48/88/573164888.db2.gz VTXSSOAHIUYSIA-UHFFFAOYSA-N 0 0 179.248 1.688 10 0 ADAERN C[C@H](Nn1cccc1)C(C)(C)O 85828932 573164895 /nfs/dbraw/zinc/16/48/95/573164895.db2.gz CUSINCZELUONLE-QMMMGPOBSA-N 0 0 168.240 1.191 10 0 ADAERN C=COCCOC(=O)C[C@@H]1C[C@H]1C 308290144 573164902 /nfs/dbraw/zinc/16/49/02/573164902.db2.gz GQQWFKDTPZGNDU-BDAKNGLRSA-N 0 0 184.235 1.736 10 0 ADAERN O[C@@H]1CON([C@@H]2C=CCCCCC2)C1 308512499 573164917 /nfs/dbraw/zinc/16/49/17/573164917.db2.gz CSGSIKVXJUMKBJ-MNOVXSKESA-N 0 0 197.278 1.483 10 0 ADAERN CC(C)[C@@H](C)CNC(=O)C(F)(F)F 82738206 573164920 /nfs/dbraw/zinc/16/49/20/573164920.db2.gz PHYCCHZDELOJQO-LURJTMIESA-N 0 0 197.200 1.957 10 0 ADAERN CCOCc1ccoc1CO 238296486 573164924 /nfs/dbraw/zinc/16/49/24/573164924.db2.gz ZKCDHKMLAAWGSG-UHFFFAOYSA-N 0 0 156.181 1.308 10 0 ADAERN C[C@]1(c2cncc(F)c2)C[C@H]1CO 235726450 573164940 /nfs/dbraw/zinc/16/49/40/573164940.db2.gz MNIZWNMGHGTLTO-WCBMZHEXSA-N 0 0 181.210 1.491 10 0 ADAERN CCC[S@](=O)[C@@H](C)C(C)=O 82744244 573164947 /nfs/dbraw/zinc/16/49/47/573164947.db2.gz NGEUSLIPXSXHAX-OIBJUYFYSA-N 0 0 162.254 1.123 10 0 ADAERN Nc1cncc(N[C@H]2CC=CCC2)n1 82730638 573164955 /nfs/dbraw/zinc/16/49/55/573164955.db2.gz TZFIIYVEMSHGSY-QMMMGPOBSA-N 0 0 190.250 1.579 10 0 ADAERN COC[C@H]([NH3+])c1cccc([S-])c1 104675318 573164956 /nfs/dbraw/zinc/16/49/56/573164956.db2.gz ADYOZXWKDKSBTI-VIFPVBQESA-N 0 0 183.276 1.622 10 0 ADAERN CC[C@@H]1[C@H](C)[C@@H](O)CCC[C@@]1(C)O 238297831 573164962 /nfs/dbraw/zinc/16/49/62/573164962.db2.gz FHZCUOUHCHTYOX-ZRUFSTJUSA-N 0 0 186.295 1.945 10 0 ADAERN CCON(C)C(=O)c1ccccn1 308289610 573164979 /nfs/dbraw/zinc/16/49/79/573164979.db2.gz CVVZPSLAZIQJLI-UHFFFAOYSA-N 0 0 180.207 1.105 10 0 ADAERN CCc1ccc(C2N=NC(=S)N2)o1 85827003 573164980 /nfs/dbraw/zinc/16/49/80/573164980.db2.gz FZWYOTJGLSJFNX-UHFFFAOYSA-N 0 0 195.247 1.916 10 0 ADAERN CCc1ccc(-c2cnc(CN)o2)o1 85827502 573165002 /nfs/dbraw/zinc/16/50/02/573165002.db2.gz APGZUKVTQZUCOA-UHFFFAOYSA-N 0 0 192.218 1.956 10 0 ADAERN CC(=O)[C@@H](N)c1cnccc1Cl 104674445 573165006 /nfs/dbraw/zinc/16/50/06/573165006.db2.gz AMOKHZVXEIPZGA-MRVPVSSYSA-N 0 0 184.626 1.324 10 0 ADAERN CC(C)[C@H](C)[C@@H]([NH2+]CC1CC1)C(=O)[O-] 308511408 573165010 /nfs/dbraw/zinc/16/50/10/573165010.db2.gz JYCSNYOVTQNULQ-WCBMZHEXSA-N 0 0 199.294 1.731 10 0 ADAERN Cc1ccc(C)n1N[C@H](C)C(C)(C)O 85829856 573165020 /nfs/dbraw/zinc/16/50/20/573165020.db2.gz VDSDFKJYIVLUPR-SNVBAGLBSA-N 0 0 196.294 1.808 10 0 ADAERN CN1N=C(c2ccccc2)S[C@H]1O 238297380 573165027 /nfs/dbraw/zinc/16/50/27/573165027.db2.gz OAZPNBMZHLXJIY-SECBINFHSA-N 0 0 194.259 1.303 10 0 ADAERN Cc1ccc(C)n1NC1CCOCC1 85829900 573165062 /nfs/dbraw/zinc/16/50/62/573165062.db2.gz BQSYIWMKFQUGLK-UHFFFAOYSA-N 0 0 194.278 1.827 10 0 ADAERN c1coc(CNn2cccc2)c1 85828659 573165079 /nfs/dbraw/zinc/16/50/79/573165079.db2.gz SQVJPPWGGPSNBV-UHFFFAOYSA-N 0 0 162.192 1.825 10 0 ADAERN C[C@@H](O)C(=O)C[C@H]1CC=CCC1 402220087 573165086 /nfs/dbraw/zinc/16/50/86/573165086.db2.gz SDFNHWOBOPGTBD-BDAKNGLRSA-N 0 0 168.236 1.683 10 0 ADAERN CC(=O)[C@H](N)c1csc(C)n1 104675222 573165096 /nfs/dbraw/zinc/16/50/96/573165096.db2.gz PTPUELGXWVNTKP-ZETCQYMHSA-N 0 0 170.237 1.040 10 0 ADAERN Oc1cccc(CNn2cccc2)c1 85828395 573165104 /nfs/dbraw/zinc/16/51/04/573165104.db2.gz OIZSYUATRPFSAE-UHFFFAOYSA-N 0 0 188.230 1.937 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)c(C)o1 104674421 573165107 /nfs/dbraw/zinc/16/51/07/573165107.db2.gz NPTLQNXGAYDEJA-SECBINFHSA-N 0 0 167.208 1.485 10 0 ADAERN C/C=C/C(=O)N(C)c1ccccn1 82737566 573165108 /nfs/dbraw/zinc/16/51/08/573165108.db2.gz ILKWGNDYMIXYAH-ZZXKWVIFSA-N 0 0 176.219 1.621 10 0 ADAERN CCc1cccc(C)c1CON 238296481 573165120 /nfs/dbraw/zinc/16/51/20/573165120.db2.gz LWFJLKSHFKPPKP-UHFFFAOYSA-N 0 0 165.236 1.948 10 0 ADAERN C/C=C\CN(CC(=O)OC)C1CC1 308289595 573165127 /nfs/dbraw/zinc/16/51/27/573165127.db2.gz CUUSEBZYTBFYTQ-ARJAWSKDSA-N 0 0 183.251 1.200 10 0 ADAERN CC(C)CNn1cccc1 85829375 573165129 /nfs/dbraw/zinc/16/51/29/573165129.db2.gz HLTNVGCKAWGWOS-UHFFFAOYSA-N 0 0 138.214 1.688 10 0 ADAERN CCO[C@H]1C[C@]1(C)C(C)=O 238298321 573165138 /nfs/dbraw/zinc/16/51/38/573165138.db2.gz HUTJWZHMPWVJIS-JGVFFNPUSA-N 0 0 142.198 1.391 10 0 ADAERN CC(C)[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)[O-] 82717683 573165147 /nfs/dbraw/zinc/16/51/47/573165147.db2.gz YBKSBMYKCXKMSS-DTWKUNHWSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@H](C)[C@@H](NC(C)=O)OC 238298075 573165173 /nfs/dbraw/zinc/16/51/73/573165173.db2.gz SOUPANFEFLKHPE-XPUUQOCRSA-N 0 0 159.229 1.141 10 0 ADAERN CCO[C@H](C)C(=O)CC 82737665 573165176 /nfs/dbraw/zinc/16/51/76/573165176.db2.gz RHLIVHZCZQIOND-ZCFIWIBFSA-N 0 0 130.187 1.391 10 0 ADAERN O=C1OCC[C@H]1NCC1(C2CC2)CC1 308511354 573165180 /nfs/dbraw/zinc/16/51/80/573165180.db2.gz JROQGVYJMSSIIJ-SECBINFHSA-N 0 0 195.262 1.082 10 0 ADAERN C[C@H](OC(=O)C1COC1)C(F)(F)F 308286039 573165182 /nfs/dbraw/zinc/16/51/82/573165182.db2.gz ZBTBEGLZQNBACF-BYPYZUCNSA-N 0 0 198.140 1.127 10 0 ADAERN C/C=C\COC(=O)[C@H]1CCCN1C 308289727 573165196 /nfs/dbraw/zinc/16/51/96/573165196.db2.gz GJBVGVLUUSDSGR-ZBJFTSOASA-N 0 0 183.251 1.200 10 0 ADAERN Cn1cccc1CNn1cccc1 85829415 573165200 /nfs/dbraw/zinc/16/52/00/573165200.db2.gz WAKJFVXIIBFRGQ-UHFFFAOYSA-N 0 0 175.235 1.570 10 0 ADAERN [NH3+][C@H](c1cnccc1C(=O)[O-])C1CC1 104675435 573165204 /nfs/dbraw/zinc/16/52/04/573165204.db2.gz DPAFEOQJKVXRSL-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN C/C=C/C(=O)OCCOCC(C)C 308286018 573165211 /nfs/dbraw/zinc/16/52/11/573165211.db2.gz DMGBMXKUOUPCLL-SNAWJCMRSA-N 0 0 186.251 1.778 10 0 ADAERN C/C=C\COC(=O)Cc1ccon1 308290141 573165230 /nfs/dbraw/zinc/16/52/30/573165230.db2.gz GQOHDRKTAPGXRQ-IHWYPQMZSA-N 0 0 181.191 1.336 10 0 ADAERN OCc1ccc(CNc2cn[nH]c2)o1 82738098 573165231 /nfs/dbraw/zinc/16/52/31/573165231.db2.gz UHWQTFPUWGBHON-UHFFFAOYSA-N 0 0 193.206 1.107 10 0 ADAERN c1ccn(NCc2ccncc2)c1 85828801 573165233 /nfs/dbraw/zinc/16/52/33/573165233.db2.gz CLRNOWZZMPJSQU-UHFFFAOYSA-N 0 0 173.219 1.627 10 0 ADAERN C/C=C/COC(=O)[C@@H]1CCCN1C 308289725 573165252 /nfs/dbraw/zinc/16/52/52/573165252.db2.gz GJBVGVLUUSDSGR-NWALNABHSA-N 0 0 183.251 1.200 10 0 ADAERN CC(=O)[C@H](N)c1cnc(F)c(C)c1 104675095 573165254 /nfs/dbraw/zinc/16/52/54/573165254.db2.gz WRLCBUODVRLREC-QMMMGPOBSA-N 0 0 182.198 1.118 10 0 ADAERN CCC[C@@]1(C2CC2)C[NH2+]C[C@H]1C(=O)[O-] 308513118 573165261 /nfs/dbraw/zinc/16/52/61/573165261.db2.gz CZPZTMVVEFYUEC-ONGXEEELSA-N 0 0 197.278 1.487 10 0 ADAERN O=C([O-])c1sccc1[C@H]1CC[NH2+]1 104674720 573165265 /nfs/dbraw/zinc/16/52/65/573165265.db2.gz SELCDAYHUBCZHI-ZCFIWIBFSA-N 0 0 183.232 1.481 10 0 ADAERN CO[C@@H]1CCCC[C@@H]1Nn1cccc1 85828898 573165267 /nfs/dbraw/zinc/16/52/67/573165267.db2.gz SOPLFCPMIOTBJM-WDEREUQCSA-N 0 0 194.278 1.989 10 0 ADAERN CC(=O)[C@@H](N)c1cccc(C)c1 104674353 573165271 /nfs/dbraw/zinc/16/52/71/573165271.db2.gz TYSJLKBTSDOTOB-SNVBAGLBSA-N 0 0 163.220 1.584 10 0 ADAERN c1ccn(NC[C@H]2CCCOC2)c1 85828736 573165279 /nfs/dbraw/zinc/16/52/79/573165279.db2.gz PJHNZZCQVXRNPI-SNVBAGLBSA-N 0 0 180.251 1.458 10 0 ADAERN CC[C@H]1C(=O)OC[C@H]1CC(C)=O 238298045 573165293 /nfs/dbraw/zinc/16/52/93/573165293.db2.gz QDFVRSUHYSIPQL-HTQZYQBOSA-N 0 0 170.208 1.165 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1CCOC1 85829655 573165299 /nfs/dbraw/zinc/16/52/99/573165299.db2.gz UDJHQLFYXHUDHL-SNVBAGLBSA-N 0 0 180.251 1.437 10 0 ADAERN CC[C@@H](C)N(C)C(=O)/C=C\COC 308289740 573165301 /nfs/dbraw/zinc/16/53/01/573165301.db2.gz GJLIDAPZWAQWJT-ATJFRQLMSA-N 0 0 185.267 1.446 10 0 ADAERN C[C@@H](Nn1cccc1)C(C)(C)O 85828934 573165309 /nfs/dbraw/zinc/16/53/09/573165309.db2.gz CUSINCZELUONLE-MRVPVSSYSA-N 0 0 168.240 1.191 10 0 ADAERN c1ccn(NCc2csnn2)c1 85829242 573165312 /nfs/dbraw/zinc/16/53/12/573165312.db2.gz IBFLMVGJQJCOFW-UHFFFAOYSA-N 0 0 180.236 1.083 10 0 ADAERN C[C@]([NH3+])(CO)c1ccccc1[S-] 104672762 573165318 /nfs/dbraw/zinc/16/53/18/573165318.db2.gz SRWLXVWNJCQUJA-VIFPVBQESA-N 0 0 183.276 1.142 10 0 ADAERN O=Cc1cc([C@H]2CCCCO2)[nH]n1 257957593 573165332 /nfs/dbraw/zinc/16/53/32/573165332.db2.gz XAGDBCLVXGKKGK-SECBINFHSA-N 0 0 180.207 1.464 10 0 ADAERN C[C@H](Nn1cccc1)c1cnn(C)c1 85828450 573165356 /nfs/dbraw/zinc/16/53/56/573165356.db2.gz YMCBGMSTSFRQBJ-VIFPVBQESA-N 0 0 190.250 1.526 10 0 ADAERN C[C@H]([NH3+])c1ccsc1C(=O)[O-] 104673955 573165380 /nfs/dbraw/zinc/16/53/80/573165380.db2.gz VWEGIRNPBDVTGN-BYPYZUCNSA-N 0 0 171.221 1.466 10 0 ADAERN CC[C@](O)(C(C)=O)C(F)(F)F 238298090 573165407 /nfs/dbraw/zinc/16/54/07/573165407.db2.gz VGKBGMWBIHMVBJ-YFKPBYRVSA-N 0 0 170.130 1.279 10 0 ADAERN Cc1nc(Cl)c2c(n1)CN(C)C2 238296518 573165777 /nfs/dbraw/zinc/16/57/77/573165777.db2.gz IYNQOXAZWPPAAB-UHFFFAOYSA-N 0 0 183.642 1.384 10 0 ADAERN C[C@@H]1C[C@H](Nn2cccc2)CCO1 85829298 573165452 /nfs/dbraw/zinc/16/54/52/573165452.db2.gz UFWJZIJJHGYPBX-NXEZZACHSA-N 0 0 180.251 1.599 10 0 ADAERN C[C@H]1C[C@@H](Nn2cccc2)CCO1 85829303 573165461 /nfs/dbraw/zinc/16/54/61/573165461.db2.gz UFWJZIJJHGYPBX-UWVGGRQHSA-N 0 0 180.251 1.599 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 715254437 573165494 /nfs/dbraw/zinc/16/54/94/573165494.db2.gz GMRWOVAUFIXYOF-HOTMZDKISA-N 0 0 195.262 1.095 10 0 ADAERN CC[C@H]1C[C@@H](Nn2cccc2)CCO1 85828770 573165507 /nfs/dbraw/zinc/16/55/07/573165507.db2.gz RYCFPBFUAVCQHP-QWRGUYRKSA-N 0 0 194.278 1.989 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@H]([NH2+]CC1CC1)C(=O)[O-] 714640218 573165522 /nfs/dbraw/zinc/16/55/22/573165522.db2.gz BWZJYYXWVPPXEK-ZOFUNIGCSA-N 0 0 197.278 1.485 10 0 ADAERN CC(C)[C@@H](C)[C@H]([NH2+]CC1CC1)C(=O)[O-] 308511407 573165530 /nfs/dbraw/zinc/16/55/30/573165530.db2.gz JYCSNYOVTQNULQ-SCZZXKLOSA-N 0 0 199.294 1.731 10 0 ADAERN C[C@@H]([C@@H](C)O)[C@@H](O)c1ccccc1 115185888 573165536 /nfs/dbraw/zinc/16/55/36/573165536.db2.gz QHXAOJQLZHLLON-IQJOONFLSA-N 0 0 180.247 1.737 10 0 ADAERN CCOCC(=O)OC[C@H]1CC1(C)C 308300040 573165544 /nfs/dbraw/zinc/16/55/44/573165544.db2.gz JWPQXYGAWLTZFE-MRVPVSSYSA-N 0 0 186.251 1.612 10 0 ADAERN CC(=O)c1ncc2ccc(O)cn12 257957573 573165552 /nfs/dbraw/zinc/16/55/52/573165552.db2.gz WZVSVWWPFQJWNB-UHFFFAOYSA-N 0 0 176.175 1.243 10 0 ADAERN C[C@H](Nn1cccc1)c1cc[nH]n1 85828593 573165557 /nfs/dbraw/zinc/16/55/57/573165557.db2.gz HKYXEHRQSJJOAN-QMMMGPOBSA-N 0 0 176.223 1.516 10 0 ADAERN CC(C)[C@H](C)CNC(=O)C(F)(F)F 82738207 573165558 /nfs/dbraw/zinc/16/55/58/573165558.db2.gz PHYCCHZDELOJQO-ZCFIWIBFSA-N 0 0 197.200 1.957 10 0 ADAERN CCO[C@H]1C[C@H](C)CC1=O 238297415 573165571 /nfs/dbraw/zinc/16/55/71/573165571.db2.gz HCSNHSSMJNWLDP-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN C/C=C1\CC[C@@H](O)OC1 215081435 573170276 /nfs/dbraw/zinc/17/02/76/573170276.db2.gz XZJPCSKHLVOHCJ-NZDKBLAQSA-N 0 0 128.171 1.062 10 0 ADAERN CCCC(=O)Nc1nnc(C2CC2)o1 82738147 573165597 /nfs/dbraw/zinc/16/55/97/573165597.db2.gz IGJVNLSOYKYTRU-UHFFFAOYSA-N 0 0 195.222 1.686 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1Nn1cccc1 85830293 573165607 /nfs/dbraw/zinc/16/56/07/573165607.db2.gz GFWJCWZOSUMLMW-WDEREUQCSA-N 0 0 194.278 1.725 10 0 ADAERN C[C@@H](O)C(=O)C[C@@H]1CC=CCC1 402220092 573165614 /nfs/dbraw/zinc/16/56/14/573165614.db2.gz SDFNHWOBOPGTBD-RKDXNWHRSA-N 0 0 168.236 1.683 10 0 ADAERN O=Cc1cc([C@@H]2CCCCO2)[nH]n1 257957595 573165624 /nfs/dbraw/zinc/16/56/24/573165624.db2.gz XAGDBCLVXGKKGK-VIFPVBQESA-N 0 0 180.207 1.464 10 0 ADAERN c1ccn(NCc2nccs2)c1 85828556 573165629 /nfs/dbraw/zinc/16/56/29/573165629.db2.gz KLGWJWIBIDJCKR-UHFFFAOYSA-N 0 0 179.248 1.688 10 0 ADAERN CCC(C)(C)[C@H](O)OC 115242976 573165676 /nfs/dbraw/zinc/16/56/76/573165676.db2.gz YFNPUUQVYQNDFR-ZCFIWIBFSA-N 0 0 132.203 1.387 10 0 ADAERN CC[C@@H](NC(=O)OC(C)(C)C)OC 238296447 573165690 /nfs/dbraw/zinc/16/56/90/573165690.db2.gz BBRVBHNJGIPTQI-ZETCQYMHSA-N 0 0 189.255 1.894 10 0 ADAERN Nc1ccc(N2C[C@H]3CC[C@H]3C2)nc1 115233527 573165694 /nfs/dbraw/zinc/16/56/94/573165694.db2.gz FSZHXNVUEMGOIS-DTORHVGOSA-N 0 0 189.262 1.510 10 0 ADAERN C[C@@H](CO)Oc1ccc([C@@H](C)O)cc1 308513179 573165706 /nfs/dbraw/zinc/16/57/06/573165706.db2.gz DBAZYNHELGRGKG-DTWKUNHWSA-N 0 0 196.246 1.500 10 0 ADAERN Cc1oc(N)nc1Cc1cccnc1 258562601 573165935 /nfs/dbraw/zinc/16/59/35/573165935.db2.gz KHQFRKRULYKVEL-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN c1ccn(NCc2cncnc2)c1 85828612 573165722 /nfs/dbraw/zinc/16/57/22/573165722.db2.gz VBOVWNKUMVCEAO-UHFFFAOYSA-N 0 0 174.207 1.022 10 0 ADAERN CC(=O)[C@H](N)c1[nH]c(C)cc1C 104673503 573165727 /nfs/dbraw/zinc/16/57/27/573165727.db2.gz PYKMTZPNXPUTCI-QMMMGPOBSA-N 0 0 166.224 1.220 10 0 ADAERN C[C@H]1OCCC[C@@H]1C(=O)OCCF 308290123 573165778 /nfs/dbraw/zinc/16/57/78/573165778.db2.gz GPDKJHUAZPPISJ-SFYZADRCSA-N 0 0 190.214 1.314 10 0 ADAERN Cc1ncc(CN(C)C)o1 258236521 573165796 /nfs/dbraw/zinc/16/57/96/573165796.db2.gz QIKDOEASFGEWKI-UHFFFAOYSA-N 0 0 140.186 1.045 10 0 ADAERN CO[C@@H](C)CC(=O)O[C@@H](C)C1CC1 308300195 573165803 /nfs/dbraw/zinc/16/58/03/573165803.db2.gz JZYXTYWDMCAUKH-YUMQZZPRSA-N 0 0 186.251 1.753 10 0 ADAERN CC[C@@H]1C(=O)CCC[C@]1(C)O 238297403 573165806 /nfs/dbraw/zinc/16/58/06/573165806.db2.gz UIHFYLIFXSRVLU-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN CC[C@@]1(C)C[C@@H]1C(=O)OC1COC1 308289418 573165825 /nfs/dbraw/zinc/16/58/25/573165825.db2.gz GESUFTDVEHWGSK-SCZZXKLOSA-N 0 0 184.235 1.365 10 0 ADAERN CC(=O)[C@H](N)c1cncc(Cl)c1 104675099 573165832 /nfs/dbraw/zinc/16/58/32/573165832.db2.gz GCTYQUZQPIUGCD-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN C[C@H]1CCC[C@H](C)C1[N@H+](C)CC(=O)[O-] 82718213 573165837 /nfs/dbraw/zinc/16/58/37/573165837.db2.gz NGLMYQLHBRMCKB-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN CCc1nc(CO)[nH]c1CC 258565369 573173258 /nfs/dbraw/zinc/17/32/58/573173258.db2.gz QZEYCOQETQBZRD-UHFFFAOYSA-N 0 0 154.213 1.027 10 0 ADAERN C/C=C(/CC)CNC(C)=O 225510251 573165920 /nfs/dbraw/zinc/16/59/20/573165920.db2.gz HXJQGAGLLUDGHW-YWEYNIOJSA-N 0 0 141.214 1.479 10 0 ADAERN CN(C(=O)C1CC1)C1CCOCC1 82738142 573165872 /nfs/dbraw/zinc/16/58/72/573165872.db2.gz DOCFFOOKJBOVNG-UHFFFAOYSA-N 0 0 183.251 1.034 10 0 ADAERN CC[C@@H]1C(=O)CCC[C@@]1(C)O 238297370 573165874 /nfs/dbraw/zinc/16/58/74/573165874.db2.gz UIHFYLIFXSRVLU-VXNVDRBHSA-N 0 0 156.225 1.517 10 0 ADAERN CC1(C(N)=S)CC1 82707729 573165878 /nfs/dbraw/zinc/16/58/78/573165878.db2.gz UPZZONKXBKHQFF-UHFFFAOYSA-N 0 0 115.201 1.073 10 0 ADAERN O=C([O-])[C@]1(F)CC[N@@H+]2CCC[C@@H]2C1 257957676 573165879 /nfs/dbraw/zinc/16/58/79/573165879.db2.gz XCINZJKXTCBKSG-APPZFPTMSA-N 0 0 187.214 1.038 10 0 ADAERN COC[C@@H](C)Oc1cccc(C)n1 308300133 573165938 /nfs/dbraw/zinc/16/59/38/573165938.db2.gz JYAHTRFNXOYCRZ-SECBINFHSA-N 0 0 181.235 1.804 10 0 ADAERN CCOCCc1ncc([C@@H](C)[NH2+]C)[nH]1 308511572 573165964 /nfs/dbraw/zinc/16/59/64/573165964.db2.gz CJVGKRGYEMJAPR-MRVPVSSYSA-N 0 0 197.282 1.269 10 0 ADAERN Nc1cccc2c1[C@@H](CO)CC2 258562126 573166303 /nfs/dbraw/zinc/16/63/03/573166303.db2.gz QPKQRNDWZPVYDF-MRVPVSSYSA-N 0 0 163.220 1.291 10 0 ADAERN CN(CC(F)F)C(=O)C1=COCC1 308289263 573165996 /nfs/dbraw/zinc/16/59/96/573165996.db2.gz CPVDTLXQRGFQJQ-UHFFFAOYSA-N 0 0 191.177 1.014 10 0 ADAERN CCc1[nH]c2cnc(N)nc2c1C 238296808 573166004 /nfs/dbraw/zinc/16/60/04/573166004.db2.gz KRMYTACGHSODSP-UHFFFAOYSA-N 0 0 176.223 1.411 10 0 ADAERN CCOC(=O)[C@@H]1CCc2nc(C)oc21 259602230 573166010 /nfs/dbraw/zinc/16/60/10/573166010.db2.gz CWJQLRVGMTXCSQ-SSDOTTSWSA-N 0 0 195.218 1.576 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)OCC1CC1 308289403 573166304 /nfs/dbraw/zinc/16/63/04/573166304.db2.gz GEDLWAVXPGKUGA-APPZFPTMSA-N 0 0 184.235 1.365 10 0 ADAERN CCOC(=O)N(CC)C[C@H](C)OC 308289516 573166040 /nfs/dbraw/zinc/16/60/40/573166040.db2.gz DZAAKEYAIBXKDV-QMMMGPOBSA-N 0 0 189.255 1.500 10 0 ADAERN C/C=C/COC(=O)[C@@]1(C)CCOC1 308290076 573166046 /nfs/dbraw/zinc/16/60/46/573166046.db2.gz GNBZIIXSGIDAIA-FSIBCCDJSA-N 0 0 184.235 1.532 10 0 ADAERN CC[C@H]1C(C(C)=O)=NO[C@H]1C 238297783 573166056 /nfs/dbraw/zinc/16/60/56/573166056.db2.gz YTJLWOGVUQGUQE-NKWVEPMBSA-N 0 0 155.197 1.376 10 0 ADAERN O[C@@H]1CON([C@H]2C=CCCCCC2)C1 308512500 573166077 /nfs/dbraw/zinc/16/60/77/573166077.db2.gz CSGSIKVXJUMKBJ-QWRGUYRKSA-N 0 0 197.278 1.483 10 0 ADAERN CC[C@]1(C)C[C@@H](C(N)=O)CCO1 238304904 573175859 /nfs/dbraw/zinc/17/58/59/573175859.db2.gz NIUZUKDQBRNJAL-IONNQARKSA-N 0 0 171.240 1.067 10 0 ADAERN CC(=O)[C@H]1COc2ccc(O)cc21 258237582 573166101 /nfs/dbraw/zinc/16/61/01/573166101.db2.gz WWPWVODKGJRXHP-SECBINFHSA-N 0 0 178.187 1.457 10 0 ADAERN Cc1cccc(C)c1[C@@H](O)CO 115238150 573166120 /nfs/dbraw/zinc/16/61/20/573166120.db2.gz XZBSTGNRBMAQTK-VIFPVBQESA-N 0 0 166.220 1.329 10 0 ADAERN CC(C)[C@@H](C[NH3+])c1n[n-]c(=S)o1 259350966 573166143 /nfs/dbraw/zinc/16/61/43/573166143.db2.gz YUHOOYVZYWAAQH-RXMQYKEDSA-N 0 0 187.268 1.057 10 0 ADAERN C[C@@H](C[NH2+][C@@H]1[C@H]2CCCC[C@H]21)C(=O)[O-] 308512018 573166313 /nfs/dbraw/zinc/16/63/13/573166313.db2.gz LGASHVJMLJFCSZ-AXTSPUMRSA-N 0 0 197.278 1.485 10 0 ADAERN CC1(C)CC[C@@H](C(=O)OCCF)O1 308300374 573166176 /nfs/dbraw/zinc/16/61/76/573166176.db2.gz LNXCLSUTTNYMRX-ZETCQYMHSA-N 0 0 190.214 1.457 10 0 ADAERN CSCCCNc1cncc(N)n1 82730631 573166183 /nfs/dbraw/zinc/16/61/83/573166183.db2.gz VNVWCGADSFLKTB-UHFFFAOYSA-N 0 0 198.295 1.224 10 0 ADAERN CCOC(=O)N(CC)C[C@@H](C)OC 308289515 573166185 /nfs/dbraw/zinc/16/61/85/573166185.db2.gz DZAAKEYAIBXKDV-MRVPVSSYSA-N 0 0 189.255 1.500 10 0 ADAERN CCN(OC)c1cc(OC)ccc1N 308511987 573166187 /nfs/dbraw/zinc/16/61/87/573166187.db2.gz CMAZOTVMFPFKDF-UHFFFAOYSA-N 0 0 196.250 1.665 10 0 ADAERN C/C=C\COC(=O)[C@@]1(C)CCOC1 308290079 573166221 /nfs/dbraw/zinc/16/62/21/573166221.db2.gz GNBZIIXSGIDAIA-XOULXFPDSA-N 0 0 184.235 1.532 10 0 ADAERN CCCC[N@H+](C)C[C@@H](C)CC(=O)[O-] 258563440 573166240 /nfs/dbraw/zinc/16/62/40/573166240.db2.gz CCAYEAJZNUSSMB-VIFPVBQESA-N 0 0 187.283 1.829 10 0 ADAERN CSCCCn1ccnc1C(C)=O 308289885 573166245 /nfs/dbraw/zinc/16/62/45/573166245.db2.gz DBSVZCKLTLOICB-UHFFFAOYSA-N 0 0 198.291 1.839 10 0 ADAERN CC(=O)CCCC[S@](C)=O 82744288 573166250 /nfs/dbraw/zinc/16/62/50/573166250.db2.gz RSQJELIFPCULGH-SNVBAGLBSA-N 0 0 162.254 1.124 10 0 ADAERN CC[C@](O)(C(C)=O)C(C)(C)C 238298078 573166253 /nfs/dbraw/zinc/16/62/53/573166253.db2.gz LSBAMADYZNYQQI-VIFPVBQESA-N 0 0 158.241 1.763 10 0 ADAERN F[C@@H]1CCCn2ccnc21 258563763 573166260 /nfs/dbraw/zinc/16/62/60/573166260.db2.gz QSSWAOWQBBFCJE-ZCFIWIBFSA-N 0 0 140.161 1.688 10 0 ADAERN C[C@H]1C[C@H]1CN(C)C(=O)C(F)(F)F 82738202 573166264 /nfs/dbraw/zinc/16/62/64/573166264.db2.gz HDSWHAQUFFIHHK-WDSKDSINSA-N 0 0 195.184 1.663 10 0 ADAERN OC[C@@H](CC1COC1)c1ccco1 258564594 573166267 /nfs/dbraw/zinc/16/62/67/573166267.db2.gz KLFHJCXHEGSOKU-SECBINFHSA-N 0 0 182.219 1.392 10 0 ADAERN COCC(=O)CCc1cccnc1C 308511711 573166281 /nfs/dbraw/zinc/16/62/81/573166281.db2.gz SLUBFONDCPVLPH-UHFFFAOYSA-N 0 0 193.246 1.538 10 0 ADAERN CCC1(C(C)(C)C(=O)OC)COC1 258563879 573167145 /nfs/dbraw/zinc/16/71/45/573167145.db2.gz MKPLBMIXQXJFJW-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN NNc1[nH+]ccc2c(F)ccc(F)c12 123759648 573168045 /nfs/dbraw/zinc/16/80/45/573168045.db2.gz SVZMVBJNIDWPMM-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN c1ccn(Nc2nncs2)c1 85832213 573168111 /nfs/dbraw/zinc/16/81/11/573168111.db2.gz BQZDUPFPERVSRZ-UHFFFAOYSA-N 0 0 166.209 1.215 10 0 ADAERN C[C@H](O)c1ccn(C[C@H]2CCCO2)c1 85833846 573166955 /nfs/dbraw/zinc/16/69/55/573166955.db2.gz AMSFUQLKGXQBOE-GXSJLCMTSA-N 0 0 195.262 1.720 10 0 ADAERN CCNc1nccc(-n2cccn2)n1 82730622 573166960 /nfs/dbraw/zinc/16/69/60/573166960.db2.gz KFSQVOGNEZHIKI-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CCCn1cccc1[C@@H](C)O 85833080 573166989 /nfs/dbraw/zinc/16/69/89/573166989.db2.gz RFJVRCUQNVZDEK-MRVPVSSYSA-N 0 0 153.225 1.951 10 0 ADAERN COC[C@@H]([NH3+])c1cccc([S-])c1 104675322 573166992 /nfs/dbraw/zinc/16/69/92/573166992.db2.gz ADYOZXWKDKSBTI-SECBINFHSA-N 0 0 183.276 1.622 10 0 ADAERN CCC(CC)OCn1cc(C)c(N)n1 379511296 573167013 /nfs/dbraw/zinc/16/70/13/573167013.db2.gz XZEBEDUVZXOASY-UHFFFAOYSA-N 0 0 197.282 1.767 10 0 ADAERN CC(=O)[C@H]([NH3+])c1ccccc1[S-] 104675054 573167019 /nfs/dbraw/zinc/16/70/19/573167019.db2.gz XTIQEWGKGCIQIR-VIFPVBQESA-N 0 0 181.260 1.564 10 0 ADAERN CCOCc1coc(CO)c1 238296705 573167021 /nfs/dbraw/zinc/16/70/21/573167021.db2.gz NDFPAFURSMYLSC-UHFFFAOYSA-N 0 0 156.181 1.308 10 0 ADAERN CC(=O)CCCC[S@@](C)=O 82744289 573167029 /nfs/dbraw/zinc/16/70/29/573167029.db2.gz RSQJELIFPCULGH-JTQLQIEISA-N 0 0 162.254 1.124 10 0 ADAERN COCCC(=O)c1cnccc1OC 308512675 573167037 /nfs/dbraw/zinc/16/70/37/573167037.db2.gz STTQMXMSMSZJRO-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN NOCc1c[nH]c2cc(F)ccc12 258236525 573167044 /nfs/dbraw/zinc/16/70/44/573167044.db2.gz QILCIUNCPJHMDI-UHFFFAOYSA-N 0 0 180.182 1.697 10 0 ADAERN C[C@@H](O)c1ccn(Cc2ccno2)c1 85833799 573167055 /nfs/dbraw/zinc/16/70/55/573167055.db2.gz YOXKSEWDXZOSMY-MRVPVSSYSA-N 0 0 192.218 1.578 10 0 ADAERN C[C@@H](O)c1cccn1Cc1ccno1 85833100 573167063 /nfs/dbraw/zinc/16/70/63/573167063.db2.gz PFAIVTRHGOPSHD-MRVPVSSYSA-N 0 0 192.218 1.578 10 0 ADAERN C[C@H](O)CNc1cccc(N(C)C)c1 82710922 573167068 /nfs/dbraw/zinc/16/70/68/573167068.db2.gz DMCLEPLDXNRUEN-VIFPVBQESA-N 0 0 194.278 1.545 10 0 ADAERN CC(=O)c1cccn1Cc1ncon1 85832644 573167077 /nfs/dbraw/zinc/16/70/77/573167077.db2.gz XNDYRHBFCDWKLC-UHFFFAOYSA-N 0 0 191.190 1.122 10 0 ADAERN CC[C@H](OC)c1ncc(OC)c(N)n1 308511654 573167085 /nfs/dbraw/zinc/16/70/85/573167085.db2.gz SHYQIDFZOJCCJM-LURJTMIESA-N 0 0 197.238 1.165 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(O)c(C)c1 104674385 573167088 /nfs/dbraw/zinc/16/70/88/573167088.db2.gz AHYPBQSRJMQFBU-SNVBAGLBSA-N 0 0 179.219 1.289 10 0 ADAERN c1ccn(NC[C@@H]2CCCO2)c1 85830589 573167095 /nfs/dbraw/zinc/16/70/95/573167095.db2.gz MXAXUPOTFQSLEC-VIFPVBQESA-N 0 0 166.224 1.211 10 0 ADAERN CC(C)(CO)c1ccc(O)c(N)c1 259352722 573167096 /nfs/dbraw/zinc/16/70/96/573167096.db2.gz GLGHIZCYKDDXCT-UHFFFAOYSA-N 0 0 181.235 1.244 10 0 ADAERN COCn1ccc([C@H](C)O)c1 85833974 573167100 /nfs/dbraw/zinc/16/71/00/573167100.db2.gz RNXXDEYINJQUDI-ZETCQYMHSA-N 0 0 155.197 1.145 10 0 ADAERN CCc1ccc([C@H](N)C(C)=O)o1 104675082 573167104 /nfs/dbraw/zinc/16/71/04/573167104.db2.gz YYCDWVSJAJIEQH-SECBINFHSA-N 0 0 167.208 1.431 10 0 ADAERN CO[C@H](c1cccs1)N(C)C 259352071 573167118 /nfs/dbraw/zinc/16/71/18/573167118.db2.gz ZYQXZEPZCJMLIN-MRVPVSSYSA-N 0 0 171.265 1.955 10 0 ADAERN CCOCn1cccc1[C@H](C)O 85833641 573167131 /nfs/dbraw/zinc/16/71/31/573167131.db2.gz PQBOPZCHIZYRFJ-QMMMGPOBSA-N 0 0 169.224 1.535 10 0 ADAERN CC[C@@](C)(O)C[C@@H](O)C(C)C 115163759 573167163 /nfs/dbraw/zinc/16/71/63/573167163.db2.gz ZEZQEANYDTVVNB-RKDXNWHRSA-N 0 0 160.257 1.554 10 0 ADAERN c1ccn(NC[C@H]2CCCO2)c1 85830590 573167169 /nfs/dbraw/zinc/16/71/69/573167169.db2.gz MXAXUPOTFQSLEC-SECBINFHSA-N 0 0 166.224 1.211 10 0 ADAERN C[C@@H](O)c1ccn(C(F)F)c1 85834597 573167190 /nfs/dbraw/zinc/16/71/90/573167190.db2.gz LLWUJLAXFRVCET-RXMQYKEDSA-N 0 0 161.151 1.937 10 0 ADAERN C[C@]1(c2ccncc2)CNC(=O)O1 258238761 573167220 /nfs/dbraw/zinc/16/72/20/573167220.db2.gz HEAZVRYXYSYRGH-SECBINFHSA-N 0 0 178.191 1.037 10 0 ADAERN C[C@@H](O)c1cccn1C[C@H]1CCCO1 85833159 573167224 /nfs/dbraw/zinc/16/72/24/573167224.db2.gz ITXGLFLPMAVAJZ-NXEZZACHSA-N 0 0 195.262 1.720 10 0 ADAERN OC[C@@H]1CCCC[C@H]2C[C@@H]21 258564026 573167256 /nfs/dbraw/zinc/16/72/56/573167256.db2.gz QXPWJSXUVRWDSK-CIUDSAMLSA-N 0 0 140.226 1.805 10 0 ADAERN CC(=O)[C@H](N)c1ccc(O)c(C)c1 104674387 573167280 /nfs/dbraw/zinc/16/72/80/573167280.db2.gz AHYPBQSRJMQFBU-JTQLQIEISA-N 0 0 179.219 1.289 10 0 ADAERN COCn1cccc1[C@@H](C)O 85833297 573167281 /nfs/dbraw/zinc/16/72/81/573167281.db2.gz HOLKJJAIMCMWDP-SSDOTTSWSA-N 0 0 155.197 1.145 10 0 ADAERN CC(C)C1CC(C)(O)C1 115211541 573167289 /nfs/dbraw/zinc/16/72/89/573167289.db2.gz HJSPQIDEZVQEEE-UHFFFAOYSA-N 0 0 128.215 1.803 10 0 ADAERN c1ccn(NCCC2CC2)c1 85830337 573167319 /nfs/dbraw/zinc/16/73/19/573167319.db2.gz VYSRUKAJOWQQET-UHFFFAOYSA-N 0 0 150.225 1.832 10 0 ADAERN COCn1ccc([C@@H](C)O)c1 85833976 573167325 /nfs/dbraw/zinc/16/73/25/573167325.db2.gz RNXXDEYINJQUDI-SSDOTTSWSA-N 0 0 155.197 1.145 10 0 ADAERN CCc1cccc([C@@H](N)C(C)=O)c1 104675043 573168067 /nfs/dbraw/zinc/16/80/67/573168067.db2.gz PSILYHDLEVPAOH-NSHDSACASA-N 0 0 177.247 1.838 10 0 ADAERN [NH3+][C@H]1CCc2ccc([S-])cc2C1 104674624 573167354 /nfs/dbraw/zinc/16/73/54/573167354.db2.gz BTRZGMHKFBUJBK-VIFPVBQESA-N 0 0 179.288 1.791 10 0 ADAERN CCOCC(=O)[C@@](C)(CC)OCC 159344212 573167359 /nfs/dbraw/zinc/16/73/59/573167359.db2.gz QLUZHZZOXYJPJI-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN CCn1cccc1[C@@H](C)O 85833057 573167360 /nfs/dbraw/zinc/16/73/60/573167360.db2.gz PUOWMFGLZBGGIL-SSDOTTSWSA-N 0 0 139.198 1.561 10 0 ADAERN CC(C)[C@@H](C)[C@@H]([NH2+]CC1CC1)C(=O)[O-] 308511406 573167369 /nfs/dbraw/zinc/16/73/69/573167369.db2.gz JYCSNYOVTQNULQ-PSASIEDQSA-N 0 0 199.294 1.731 10 0 ADAERN CCOCCNn1c(C)ccc1C 85830997 573167371 /nfs/dbraw/zinc/16/73/71/573167371.db2.gz HBNIMEGOXZKCCH-UHFFFAOYSA-N 0 0 182.267 1.685 10 0 ADAERN CCOCCC(=O)OC1CC(C)C1 308289995 573167376 /nfs/dbraw/zinc/16/73/76/573167376.db2.gz DGVYSJLUQXYAOD-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)c1cccn1C[C@H](C)O 85832737 573167378 /nfs/dbraw/zinc/16/73/78/573167378.db2.gz PJRHMCAMKLDCDC-ZETCQYMHSA-N 0 0 167.208 1.072 10 0 ADAERN C[C@@]([NH3+])(CO)c1ccccc1[S-] 104672759 573167391 /nfs/dbraw/zinc/16/73/91/573167391.db2.gz SRWLXVWNJCQUJA-SECBINFHSA-N 0 0 183.276 1.142 10 0 ADAERN Cc1ccc(C)n1NC[C@H](C)O 85831244 573167396 /nfs/dbraw/zinc/16/73/96/573167396.db2.gz KXUNTUZJXMIGDL-VIFPVBQESA-N 0 0 168.240 1.029 10 0 ADAERN Fc1ccc(Nn2cccc2)nc1 85832075 573167400 /nfs/dbraw/zinc/16/74/00/573167400.db2.gz IIZBNZOBTSYXNO-UHFFFAOYSA-N 0 0 177.182 1.897 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)OCC1CC1 308289404 573167428 /nfs/dbraw/zinc/16/74/28/573167428.db2.gz GEDLWAVXPGKUGA-CBAPKCEASA-N 0 0 184.235 1.365 10 0 ADAERN CC(=O)[C@@H]([NH3+])c1cccc([S-])c1 104675232 573167430 /nfs/dbraw/zinc/16/74/30/573167430.db2.gz ZNAXZUZMWLNZTD-SECBINFHSA-N 0 0 181.260 1.564 10 0 ADAERN C=C(Cl)C(=O)NCCC 115244341 573167431 /nfs/dbraw/zinc/16/74/31/573167431.db2.gz SZCTUZBVRAXEKX-UHFFFAOYSA-N 0 0 147.605 1.265 10 0 ADAERN CCOCCc1ncc([C@H](C)[NH2+]C)[nH]1 308511574 573167444 /nfs/dbraw/zinc/16/74/44/573167444.db2.gz CJVGKRGYEMJAPR-QMMMGPOBSA-N 0 0 197.282 1.269 10 0 ADAERN c1ccn(Nc2nccs2)c1 85832118 573167453 /nfs/dbraw/zinc/16/74/53/573167453.db2.gz XCKZNKOTIQAKHO-UHFFFAOYSA-N 0 0 165.221 1.820 10 0 ADAERN CC(C)(F)C(=O)OCC(=O)C1CC1 308286041 573167458 /nfs/dbraw/zinc/16/74/58/573167458.db2.gz ZBUMFFJFPJRHNE-UHFFFAOYSA-N 0 0 188.198 1.257 10 0 ADAERN CCc1ccc([C@@H](N)C(C)=O)o1 104675084 573167468 /nfs/dbraw/zinc/16/74/68/573167468.db2.gz YYCDWVSJAJIEQH-VIFPVBQESA-N 0 0 167.208 1.431 10 0 ADAERN CC[C@@](C)(O)C[C@H](O)C(C)C 115163762 573168078 /nfs/dbraw/zinc/16/80/78/573168078.db2.gz ZEZQEANYDTVVNB-DTWKUNHWSA-N 0 0 160.257 1.554 10 0 ADAERN CO[C@H]1CCC[C@H](Nn2cccc2)C1 85830353 573167493 /nfs/dbraw/zinc/16/74/93/573167493.db2.gz ZORDITJVEFJTJS-QWRGUYRKSA-N 0 0 194.278 1.989 10 0 ADAERN Cc1cc(Nn2cccc2)nc(C)n1 85832199 573167502 /nfs/dbraw/zinc/16/75/02/573167502.db2.gz FXOWLVOGTUKOOG-UHFFFAOYSA-N 0 0 188.234 1.770 10 0 ADAERN CCOCc1noc(CC(C)C)n1 308290360 573167515 /nfs/dbraw/zinc/16/75/15/573167515.db2.gz DMZGBOBOIIAWBB-UHFFFAOYSA-N 0 0 184.239 1.805 10 0 ADAERN CO[C@@H]1CCC[C@@H](Nn2cccc2)C1 85830354 573167521 /nfs/dbraw/zinc/16/75/21/573167521.db2.gz ZORDITJVEFJTJS-GHMZBOCLSA-N 0 0 194.278 1.989 10 0 ADAERN Cc1nccn1Cc1cccc(O)c1 82736115 573167540 /nfs/dbraw/zinc/16/75/40/573167540.db2.gz QSUYJQSFNCTRRY-UHFFFAOYSA-N 0 0 188.230 1.945 10 0 ADAERN CC[C@@H]1C(=O)C[C@H](C)[C@@]1(C)O 238298670 573167567 /nfs/dbraw/zinc/16/75/67/573167567.db2.gz DAXJOEPUSSNRSM-LKEWCRSYSA-N 0 0 156.225 1.373 10 0 ADAERN CC(=O)[C@H]([NH3+])c1cccc([S-])c1 104675228 573167569 /nfs/dbraw/zinc/16/75/69/573167569.db2.gz ZNAXZUZMWLNZTD-VIFPVBQESA-N 0 0 181.260 1.564 10 0 ADAERN CCc1csc(CC(N)=S)n1 259351448 573167570 /nfs/dbraw/zinc/16/75/70/573167570.db2.gz UDFHOWVZHRRLFL-UHFFFAOYSA-N 0 0 186.305 1.534 10 0 ADAERN CC1(C)CC[C@H](C(=O)OCCF)O1 308300373 573167578 /nfs/dbraw/zinc/16/75/78/573167578.db2.gz LNXCLSUTTNYMRX-SSDOTTSWSA-N 0 0 190.214 1.457 10 0 ADAERN Cc1ccc(C)n1N[C@H]1CCC[C@@H]1O 85831360 573167585 /nfs/dbraw/zinc/16/75/85/573167585.db2.gz DASRIHZQKDXCIO-QWRGUYRKSA-N 0 0 194.278 1.562 10 0 ADAERN CNC(=S)SC[C@@H](C)C(C)=O 238303326 573167652 /nfs/dbraw/zinc/16/76/52/573167652.db2.gz SZNLZIBPUVJTQG-RXMQYKEDSA-N 0 0 191.321 1.449 10 0 ADAERN COc1cccc(Nn2cccc2)n1 85832135 573167657 /nfs/dbraw/zinc/16/76/57/573167657.db2.gz BTFXCPIBCHSGHJ-UHFFFAOYSA-N 0 0 189.218 1.767 10 0 ADAERN CCn1ccc([C@H](C)O)c1 85833762 573167679 /nfs/dbraw/zinc/16/76/79/573167679.db2.gz DPITZJSMASAQCM-ZETCQYMHSA-N 0 0 139.198 1.561 10 0 ADAERN C[C@H](O)[C@H]([NH3+])c1ccccc1[S-] 104672749 573167721 /nfs/dbraw/zinc/16/77/21/573167721.db2.gz JOZXQJUTGMOFLA-RCOVLWMOSA-N 0 0 183.276 1.356 10 0 ADAERN COCn1cccc1[C@H](C)O 85833295 573167730 /nfs/dbraw/zinc/16/77/30/573167730.db2.gz HOLKJJAIMCMWDP-ZETCQYMHSA-N 0 0 155.197 1.145 10 0 ADAERN CCn1cnc(NC)nc1=S 238303554 573167751 /nfs/dbraw/zinc/16/77/51/573167751.db2.gz FICYTDDEMDQKLR-UHFFFAOYSA-N 0 0 170.241 1.069 10 0 ADAERN O=Cc1cc2c([nH]1)CCCC2=O 115180461 573167757 /nfs/dbraw/zinc/16/77/57/573167757.db2.gz NWNYETNQUHAYNA-UHFFFAOYSA-N 0 0 163.176 1.346 10 0 ADAERN CCON=C(N)c1ccccc1O 238298504 573168095 /nfs/dbraw/zinc/16/80/95/573168095.db2.gz FVOUWIVXHQPKKL-UHFFFAOYSA-N 0 0 180.207 1.259 10 0 ADAERN CC(=O)[C@H](N)c1c(C)cccc1F 104674371 573167770 /nfs/dbraw/zinc/16/77/70/573167770.db2.gz WTYCHHJHCLANRH-JTQLQIEISA-N 0 0 181.210 1.723 10 0 ADAERN C[C@@H](O)c1ccn(C[C@@H]2CCCO2)c1 85833843 573167785 /nfs/dbraw/zinc/16/77/85/573167785.db2.gz AMSFUQLKGXQBOE-KOLCDFICSA-N 0 0 195.262 1.720 10 0 ADAERN O=C([O-])c1ccncc1[C@H]1CCC[NH2+]1 104675446 573167786 /nfs/dbraw/zinc/16/77/86/573167786.db2.gz PLCWXKXDPOFHLA-SECBINFHSA-N 0 0 192.218 1.204 10 0 ADAERN CCc1nsnc1C(C)=O 258564011 573167789 /nfs/dbraw/zinc/16/77/89/573167789.db2.gz QXCYCGDPAMNRFY-UHFFFAOYSA-N 0 0 156.210 1.303 10 0 ADAERN CCC[C@@](O)(CC)CCO 115188181 573167795 /nfs/dbraw/zinc/16/77/95/573167795.db2.gz PPKKGVFZPOYFNK-QMMMGPOBSA-N 0 0 146.230 1.310 10 0 ADAERN FC(F)CNn1cccc1 85830487 573167811 /nfs/dbraw/zinc/16/78/11/573167811.db2.gz ZPEQUFIUBGRXDQ-UHFFFAOYSA-N 0 0 146.140 1.297 10 0 ADAERN C[C@H](O)C(=O)CC[C@@H]1C[C@H]1C1CC1 714843020 573167812 /nfs/dbraw/zinc/16/78/12/573167812.db2.gz GVPBFAAHYWJEBG-SFGNSQDASA-N 0 0 182.263 1.763 10 0 ADAERN CC[C@]1(C)C[C@H]1C(=O)OC1COC1 308289419 573167816 /nfs/dbraw/zinc/16/78/16/573167816.db2.gz GESUFTDVEHWGSK-WCBMZHEXSA-N 0 0 184.235 1.365 10 0 ADAERN CCc1cc(=O)c2ccc(N)cc2o1 238303516 573167818 /nfs/dbraw/zinc/16/78/18/573167818.db2.gz UNVGEAHLLXDZEA-UHFFFAOYSA-N 0 0 189.214 1.938 10 0 ADAERN OC[C@H](CC1COC1)c1ccco1 258564597 573167855 /nfs/dbraw/zinc/16/78/55/573167855.db2.gz KLFHJCXHEGSOKU-VIFPVBQESA-N 0 0 182.219 1.392 10 0 ADAERN C[C@H](C[NH2+][C@@H]1[C@H]2CCCC[C@H]21)C(=O)[O-] 308512019 573167859 /nfs/dbraw/zinc/16/78/59/573167859.db2.gz LGASHVJMLJFCSZ-IMSYWVGJSA-N 0 0 197.278 1.485 10 0 ADAERN C[C@H](O)[C@H](F)[C@H]1CCCCO1 258567278 573167865 /nfs/dbraw/zinc/16/78/65/573167865.db2.gz RFUPAUBOXSRGAR-RNJXMRFFSA-N 0 0 162.204 1.274 10 0 ADAERN CC[C@@H]1CCC(=O)[C@H](C)C1=O 238303423 573167887 /nfs/dbraw/zinc/16/78/87/573167887.db2.gz BOMBXEUKFJKRDK-NKWVEPMBSA-N 0 0 154.209 1.581 10 0 ADAERN CC1(CNn2cccc2)COC1 85830578 573167892 /nfs/dbraw/zinc/16/78/92/573167892.db2.gz GVARWVLAMJUXMC-UHFFFAOYSA-N 0 0 166.224 1.068 10 0 ADAERN CSCc1nc2ccc(N)cn2n1 258563468 573167912 /nfs/dbraw/zinc/16/79/12/573167912.db2.gz PLGHRCDCPBDJFX-UHFFFAOYSA-N 0 0 194.263 1.175 10 0 ADAERN Cc1ccc(C)n1Nc1ccncn1 85832427 573167913 /nfs/dbraw/zinc/16/79/13/573167913.db2.gz YISFXLKKZNOCGG-UHFFFAOYSA-N 0 0 188.234 1.770 10 0 ADAERN CO[C@@H]1Cc2c(O)cccc21 258563817 573168102 /nfs/dbraw/zinc/16/81/02/573168102.db2.gz QTEFMUOFBWQSIT-SECBINFHSA-N 0 0 150.177 1.636 10 0 ADAERN CCC(CC)OCn1cnccc1=O 308511143 573167924 /nfs/dbraw/zinc/16/79/24/573167924.db2.gz SBICOXVGHATFPW-UHFFFAOYSA-N 0 0 196.250 1.406 10 0 ADAERN CO[C@H]1CCC[C@@H](Nn2cccc2)C1 85830356 573167930 /nfs/dbraw/zinc/16/79/30/573167930.db2.gz ZORDITJVEFJTJS-MNOVXSKESA-N 0 0 194.278 1.989 10 0 ADAERN Cc1ccc(C)n1NCC(C)(C)O 85831246 573167937 /nfs/dbraw/zinc/16/79/37/573167937.db2.gz XFBIPLWIWVXPED-UHFFFAOYSA-N 0 0 182.267 1.419 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)C(=O)C(F)(F)F 82738200 573167964 /nfs/dbraw/zinc/16/79/64/573167964.db2.gz HDSWHAQUFFIHHK-NTSWFWBYSA-N 0 0 195.184 1.663 10 0 ADAERN CCOCC(=O)Oc1cccnc1 308289345 573167975 /nfs/dbraw/zinc/16/79/75/573167975.db2.gz CTGILWQXCZKWMO-UHFFFAOYSA-N 0 0 181.191 1.024 10 0 ADAERN Cc1ccc(C)n1Nc1cccnn1 85832431 573167990 /nfs/dbraw/zinc/16/79/90/573167990.db2.gz LUCCPWTZCGASNA-UHFFFAOYSA-N 0 0 188.234 1.770 10 0 ADAERN C[C@@H](O)c1cccn1C(F)F 85833727 573168003 /nfs/dbraw/zinc/16/80/03/573168003.db2.gz XMJQQOKNQCBUGI-RXMQYKEDSA-N 0 0 161.151 1.937 10 0 ADAERN CC(C)[C@H](C)[C@H]([NH2+]CC1CC1)C(=O)[O-] 308511409 573168033 /nfs/dbraw/zinc/16/80/33/573168033.db2.gz JYCSNYOVTQNULQ-WPRPVWTQSA-N 0 0 199.294 1.731 10 0 ADAERN C[C@@H](OC(=O)C1COC1)C(F)(F)F 308286040 573168063 /nfs/dbraw/zinc/16/80/63/573168063.db2.gz ZBTBEGLZQNBACF-SCSAIBSYSA-N 0 0 198.140 1.127 10 0 ADAERN CN1C(=S)NC[C@@H]2CCCC[C@@H]21 238303758 573168381 /nfs/dbraw/zinc/16/83/81/573168381.db2.gz WGJZGDNBDVCVGX-YUMQZZPRSA-N 0 0 184.308 1.365 10 0 ADAERN c1ccn(NCC2CCC2)c1 85830686 573168370 /nfs/dbraw/zinc/16/83/70/573168370.db2.gz ZHMFOWWQQANMFC-UHFFFAOYSA-N 0 0 150.225 1.832 10 0 ADAERN C=COCCOC(=O)C[C@@H]1C[C@@H]1C 308290146 573168395 /nfs/dbraw/zinc/16/83/95/573168395.db2.gz GQQWFKDTPZGNDU-IUCAKERBSA-N 0 0 184.235 1.736 10 0 ADAERN COC(=O)c1cccn2c(C)cnc12 258562659 573168398 /nfs/dbraw/zinc/16/83/98/573168398.db2.gz PISKLHVKAIWHEQ-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CC[C@@H](OC)c1ncc(OC)c(N)n1 308511655 573168406 /nfs/dbraw/zinc/16/84/06/573168406.db2.gz SHYQIDFZOJCCJM-ZCFIWIBFSA-N 0 0 197.238 1.165 10 0 ADAERN CN(C)c1cccc(NCCO)c1 82710843 573168410 /nfs/dbraw/zinc/16/84/10/573168410.db2.gz BIOUSTZRGQZIBV-UHFFFAOYSA-N 0 0 180.251 1.157 10 0 ADAERN c1ccc(Nn2cccc2)nc1 85832204 573169932 /nfs/dbraw/zinc/16/99/32/573169932.db2.gz YRDGLBYDACKRGP-UHFFFAOYSA-N 0 0 159.192 1.758 10 0 ADAERN [NH3+][C@@H](CCO)c1cccc([S-])c1 104675313 573168433 /nfs/dbraw/zinc/16/84/33/573168433.db2.gz MTWIMOXCPUCNDS-VIFPVBQESA-N 0 0 183.276 1.358 10 0 ADAERN C=COCCOC(=O)C[C@H]1C[C@H]1C 308290147 573168445 /nfs/dbraw/zinc/16/84/45/573168445.db2.gz GQQWFKDTPZGNDU-RKDXNWHRSA-N 0 0 184.235 1.736 10 0 ADAERN C[NH2+][C@@H](CCCC(=O)[O-])c1ccc[nH]1 259349678 573168451 /nfs/dbraw/zinc/16/84/51/573168451.db2.gz KQLDVGPCCQSWRB-QMMMGPOBSA-N 0 0 196.250 1.530 10 0 ADAERN CO[C@@H](C)C[C@@H](O)C(F)(F)F 225508992 573168459 /nfs/dbraw/zinc/16/84/59/573168459.db2.gz IYRSARIVLVAGJU-CRCLSJGQSA-N 0 0 172.146 1.335 10 0 ADAERN CCOC(CC)(CC)C(=O)COC 159352708 573168461 /nfs/dbraw/zinc/16/84/61/573168461.db2.gz IVKWAHFQZMNTSZ-UHFFFAOYSA-N 0 0 188.267 1.797 10 0 ADAERN Cc1ccc(C)n1NC[C@@H]1CCCO1 85831168 573168484 /nfs/dbraw/zinc/16/84/84/573168484.db2.gz QQPSVBJPDOZPKK-NSHDSACASA-N 0 0 194.278 1.827 10 0 ADAERN Cc1ccnc(Nn2cccc2)n1 85832133 573168503 /nfs/dbraw/zinc/16/85/03/573168503.db2.gz ALPMXHJUFLCLSX-UHFFFAOYSA-N 0 0 174.207 1.462 10 0 ADAERN CCOC(=O)C1=C(C)NC(=S)CC1 238303015 573168507 /nfs/dbraw/zinc/16/85/07/573168507.db2.gz GMDFBYGPOHWMOY-UHFFFAOYSA-N 0 0 199.275 1.534 10 0 ADAERN CCc1cccc(CC(N)=S)n1 238298369 573168522 /nfs/dbraw/zinc/16/85/22/573168522.db2.gz MNRMBTJMXPDASF-UHFFFAOYSA-N 0 0 180.276 1.473 10 0 ADAERN O=C([O-])c1cc([C@H]2CC[NH2+]2)cs1 104674155 573168524 /nfs/dbraw/zinc/16/85/24/573168524.db2.gz HKZCUFOHLGAYOC-ZCFIWIBFSA-N 0 0 183.232 1.481 10 0 ADAERN CC[C@H]1[C@@H]2CCCC(=O)N2CC[C@H]1O 238298727 573168531 /nfs/dbraw/zinc/16/85/31/573168531.db2.gz RAZVPJOHCKKLIX-LPEHRKFASA-N 0 0 197.278 1.158 10 0 ADAERN CCCC[C@@H](C(=O)OCC)[C@H](C)O 225618136 573168883 /nfs/dbraw/zinc/16/88/83/573168883.db2.gz YFSFACAUNSHSIJ-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN Cc1ccc(C)n1Nc1nncs1 85832394 573168552 /nfs/dbraw/zinc/16/85/52/573168552.db2.gz MWBMNGBBSRFKFR-UHFFFAOYSA-N 0 0 194.263 1.832 10 0 ADAERN CC[C@]1(C)C/C(=C\C(=O)[O-])CC[N@@H+]1C 238303107 573168567 /nfs/dbraw/zinc/16/85/67/573168567.db2.gz VNGSFJOKVHVYRR-GXMKHXEJSA-N 0 0 197.278 1.892 10 0 ADAERN c1cnnc(Nn2cccc2)c1 85832303 573168568 /nfs/dbraw/zinc/16/85/68/573168568.db2.gz OJVWBXQDITYMBI-UHFFFAOYSA-N 0 0 160.180 1.153 10 0 ADAERN Cc1[nH]c(=O)sc1CC(C)C 115179614 573168570 /nfs/dbraw/zinc/16/85/70/573168570.db2.gz NPLMPTHJUSBCLD-UHFFFAOYSA-N 0 0 171.265 1.943 10 0 ADAERN CC(=O)[C@H](N)c1cnccc1Cl 104674441 573168571 /nfs/dbraw/zinc/16/85/71/573168571.db2.gz AMOKHZVXEIPZGA-QMMMGPOBSA-N 0 0 184.626 1.324 10 0 ADAERN CC[C@H](C)N(C)C(=O)/C=C\COC 308289741 573168885 /nfs/dbraw/zinc/16/88/85/573168885.db2.gz GJLIDAPZWAQWJT-NMTCXDENSA-N 0 0 185.267 1.446 10 0 ADAERN CCn1[nH]c(=O)cc1C(C)C 258567251 573168581 /nfs/dbraw/zinc/16/85/81/573168581.db2.gz RFEYIACWRRFNLK-UHFFFAOYSA-N 0 0 154.213 1.732 10 0 ADAERN Nc1cc(-c2ccco2)nnc1Cl 257957615 573168590 /nfs/dbraw/zinc/16/85/90/573168590.db2.gz MYEVKRKTKJKIFG-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Cc1cccc(C)c1[C@H](O)CO 115238152 573168608 /nfs/dbraw/zinc/16/86/08/573168608.db2.gz XZBSTGNRBMAQTK-SECBINFHSA-N 0 0 166.220 1.329 10 0 ADAERN CNn1c(C)ccc1C 85831193 573168612 /nfs/dbraw/zinc/16/86/12/573168612.db2.gz OJKPOMUOUCTFDH-UHFFFAOYSA-N 0 0 124.187 1.278 10 0 ADAERN CCOCC(=O)[C@](C)(CC)OCC 159344079 573168613 /nfs/dbraw/zinc/16/86/13/573168613.db2.gz QLUZHZZOXYJPJI-JTQLQIEISA-N 0 0 188.267 1.797 10 0 ADAERN CC(C)[C@H](C)[C@@H](NN)c1cn(C)cn1 308511982 573168621 /nfs/dbraw/zinc/16/86/21/573168621.db2.gz CLUCTVQUZBZGMU-WCBMZHEXSA-N 0 0 196.298 1.217 10 0 ADAERN CCOc1cccc2c1COCC2=O 238303642 573168623 /nfs/dbraw/zinc/16/86/23/573168623.db2.gz KSKDAZXJGGSHHT-UHFFFAOYSA-N 0 0 192.214 1.798 10 0 ADAERN Cc1cnc(C)c(Nn2cccc2)n1 85832261 573168628 /nfs/dbraw/zinc/16/86/28/573168628.db2.gz CRWOXILKWNJUBZ-UHFFFAOYSA-N 0 0 188.234 1.770 10 0 ADAERN CO[C@@](C)(CCO)C(C)(C)C 258562043 573168631 /nfs/dbraw/zinc/16/86/31/573168631.db2.gz QNSRDBYPCJYBML-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)C(=O)Cn1cnc(C2CC2)n1 308513375 573168647 /nfs/dbraw/zinc/16/86/47/573168647.db2.gz TYZMPSKZDJDTKK-UHFFFAOYSA-N 0 0 193.250 1.381 10 0 ADAERN CO[C@H](C)C[C@H](O)C(F)(F)F 225508963 573168651 /nfs/dbraw/zinc/16/86/51/573168651.db2.gz IYRSARIVLVAGJU-UHNVWZDZSA-N 0 0 172.146 1.335 10 0 ADAERN COC(=O)NCCc1cccc(N)c1 308512498 573168675 /nfs/dbraw/zinc/16/86/75/573168675.db2.gz CSELTFQPMMLIPY-UHFFFAOYSA-N 0 0 194.234 1.167 10 0 ADAERN CCONC(=O)N[C@@H](C)CC1CC1 308289339 573168890 /nfs/dbraw/zinc/16/88/90/573168890.db2.gz CSYRVZXYQZEJAU-ZETCQYMHSA-N 0 0 186.255 1.426 10 0 ADAERN C[C@@H](O)c1ccn(C[C@H]2CCCO2)c1 85833848 573168685 /nfs/dbraw/zinc/16/86/85/573168685.db2.gz AMSFUQLKGXQBOE-MWLCHTKSSA-N 0 0 195.262 1.720 10 0 ADAERN Cc1cnc(Nn2cccc2)nc1 85832164 573168690 /nfs/dbraw/zinc/16/86/90/573168690.db2.gz MPKDJZLINKIWOG-UHFFFAOYSA-N 0 0 174.207 1.462 10 0 ADAERN CCc1cccc([C@@H](C)O)n1 238303279 573168715 /nfs/dbraw/zinc/16/87/15/573168715.db2.gz BNXLJBQYXJXOLB-SSDOTTSWSA-N 0 0 151.209 1.697 10 0 ADAERN O=C(Nn1cccc1)c1cscn1 85832030 573168717 /nfs/dbraw/zinc/16/87/17/573168717.db2.gz ZRNSOWBKMDUOTO-UHFFFAOYSA-N 0 0 193.231 1.329 10 0 ADAERN COc1cccc2c1C[C@H]2OC 258562079 573168751 /nfs/dbraw/zinc/16/87/51/573168751.db2.gz QOSGMXRHPSYDRL-SNVBAGLBSA-N 0 0 164.204 1.939 10 0 ADAERN CC(=O)c1cccn1Cc1ccno1 85832494 573168764 /nfs/dbraw/zinc/16/87/64/573168764.db2.gz QTLVBOOKBIZTHC-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN C/C=C\C(=O)OCCOCC(C)C 308286016 573168765 /nfs/dbraw/zinc/16/87/65/573168765.db2.gz DMGBMXKUOUPCLL-PLNGDYQASA-N 0 0 186.251 1.778 10 0 ADAERN CNC(=S)P(C)c1ccccc1 238303005 573168774 /nfs/dbraw/zinc/16/87/74/573168774.db2.gz BRYXCPQADBQALK-UHFFFAOYSA-N 0 0 197.243 1.928 10 0 ADAERN CCOCC(=O)OC[C@@H]1CC1(C)C 308300044 573168778 /nfs/dbraw/zinc/16/87/78/573168778.db2.gz JWPQXYGAWLTZFE-QMMMGPOBSA-N 0 0 186.251 1.612 10 0 ADAERN CCCn1ccc([C@H](C)O)c1 85833786 573168785 /nfs/dbraw/zinc/16/87/85/573168785.db2.gz BJXNJKAOZCQNJD-QMMMGPOBSA-N 0 0 153.225 1.951 10 0 ADAERN CCOCCNn1cccc1 85830303 573169395 /nfs/dbraw/zinc/16/93/95/573169395.db2.gz TZRJGCQBJUIYOQ-UHFFFAOYSA-N 0 0 154.213 1.068 10 0 ADAERN CC(=O)c1ccn(C[C@@H](C)O)c1 85833053 573168805 /nfs/dbraw/zinc/16/88/05/573168805.db2.gz XHVFLJQTWSRCCA-SSDOTTSWSA-N 0 0 167.208 1.072 10 0 ADAERN C[C@H](F)c1nc(N)nc(Cl)n1 115198895 573168820 /nfs/dbraw/zinc/16/88/20/573168820.db2.gz QUECAGJLBJWOLE-REOHCLBHSA-N 0 0 176.582 1.138 10 0 ADAERN CC(=O)[C@@H](N)c1cnc(F)cc1C 104674433 573168833 /nfs/dbraw/zinc/16/88/33/573168833.db2.gz DHZNAJXSMGEAFW-SECBINFHSA-N 0 0 182.198 1.118 10 0 ADAERN CO[C@H](C)CC(=O)O[C@@H](C)C1CC1 308300194 573168834 /nfs/dbraw/zinc/16/88/34/573168834.db2.gz JZYXTYWDMCAUKH-SFYZADRCSA-N 0 0 186.251 1.753 10 0 ADAERN Cc1nccc(Nn2cccc2)n1 85832155 573168845 /nfs/dbraw/zinc/16/88/45/573168845.db2.gz BNKFPNGVWFBALG-UHFFFAOYSA-N 0 0 174.207 1.462 10 0 ADAERN C/C=C\COC(=O)[C@]1(C)CCOC1 308290078 573168850 /nfs/dbraw/zinc/16/88/50/573168850.db2.gz GNBZIIXSGIDAIA-UMBAGQNISA-N 0 0 184.235 1.532 10 0 ADAERN Nc1cccc2c1OCC[C@@H]2CO 257957603 573168872 /nfs/dbraw/zinc/16/88/72/573168872.db2.gz XAJYYKJGJDHNKO-SSDOTTSWSA-N 0 0 179.219 1.127 10 0 ADAERN OC1(c2coc3ccccc23)COC1 259354876 573168873 /nfs/dbraw/zinc/16/88/73/573168873.db2.gz UJDKOQNXJFOTMB-UHFFFAOYSA-N 0 0 190.198 1.651 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H](C)[C@@]1(C)O 238298627 573168893 /nfs/dbraw/zinc/16/88/93/573168893.db2.gz DAXJOEPUSSNRSM-ZXFLCMHBSA-N 0 0 156.225 1.373 10 0 ADAERN CNC(=O)SCc1cccc(C)n1 238303674 573168898 /nfs/dbraw/zinc/16/88/98/573168898.db2.gz OEHBSSFIRPFIRP-UHFFFAOYSA-N 0 0 196.275 1.963 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nn1cccc1 85830539 573168922 /nfs/dbraw/zinc/16/89/22/573168922.db2.gz WDRQXDAJXZLAKP-VHSXEESVSA-N 0 0 180.251 1.335 10 0 ADAERN COCc1cc(N[C@@H](C)CF)ncn1 308508085 573168947 /nfs/dbraw/zinc/16/89/47/573168947.db2.gz HAYMHVRTBZZLPJ-ZETCQYMHSA-N 0 0 199.229 1.393 10 0 ADAERN CC(=O)c1ccn(C[C@H]2CCCO2)c1 85832842 573168967 /nfs/dbraw/zinc/16/89/67/573168967.db2.gz XDYBEQZNGXXGDA-LLVKDONJSA-N 0 0 193.246 1.870 10 0 ADAERN CC[C@@H]1CCC(O)=C1C(C)=O 238303494 573168969 /nfs/dbraw/zinc/16/89/69/573168969.db2.gz OERUJSUFRIFEOP-APPZFPTMSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H](O)[C@@H](F)[C@H]1CCCCO1 258567279 573168986 /nfs/dbraw/zinc/16/89/86/573168986.db2.gz RFUPAUBOXSRGAR-XLPZGREQSA-N 0 0 162.204 1.274 10 0 ADAERN CCc1nc(C(C)(C)O)[nH]c1C 258563788 573168993 /nfs/dbraw/zinc/16/89/93/573168993.db2.gz MJDKAUOHINMKLW-UHFFFAOYSA-N 0 0 168.240 1.508 10 0 ADAERN CSCC(=O)O[C@H]1CCC[C@@H]1F 393506291 573169023 /nfs/dbraw/zinc/16/90/23/573169023.db2.gz HSWLTYAIIFPJPU-BQBZGAKWSA-N 0 0 192.255 1.783 10 0 ADAERN Cc1cc(C)nc(Nn2cccc2)n1 85832277 573169024 /nfs/dbraw/zinc/16/90/24/573169024.db2.gz WXHOKQCFLGLUHL-UHFFFAOYSA-N 0 0 188.234 1.770 10 0 ADAERN C[C@@H]1OCCC[C@H]1C(=O)OCCF 308290122 573169029 /nfs/dbraw/zinc/16/90/29/573169029.db2.gz GPDKJHUAZPPISJ-JGVFFNPUSA-N 0 0 190.214 1.314 10 0 ADAERN Cc1cc(CNn2cccc2)n(C)n1 85830823 573169056 /nfs/dbraw/zinc/16/90/56/573169056.db2.gz QZYDBWOGECYJMU-UHFFFAOYSA-N 0 0 190.250 1.274 10 0 ADAERN CC(=O)[C@@H]([NH3+])c1ccccc1[S-] 104675056 573169060 /nfs/dbraw/zinc/16/90/60/573169060.db2.gz XTIQEWGKGCIQIR-SECBINFHSA-N 0 0 181.260 1.564 10 0 ADAERN CC(C)[C@@H](C)[C@@H](NN)c1cn(C)cn1 308511980 573169064 /nfs/dbraw/zinc/16/90/64/573169064.db2.gz CLUCTVQUZBZGMU-PSASIEDQSA-N 0 0 196.298 1.217 10 0 ADAERN CN(O)CCc1ccc(O)cc1 258563837 573169071 /nfs/dbraw/zinc/16/90/71/573169071.db2.gz QTMUHVHJAUCBNQ-UHFFFAOYSA-N 0 0 167.208 1.256 10 0 ADAERN C[NH+](C)[C@H]1CCCc2sc(=O)[nH]c21 238298789 573169077 /nfs/dbraw/zinc/16/90/77/573169077.db2.gz SZTKMDASBZLKHS-LURJTMIESA-N 0 0 198.291 1.375 10 0 ADAERN Cc1ccc(C)n1NC1COC1 85831113 573169096 /nfs/dbraw/zinc/16/90/96/573169096.db2.gz SQCZBXHGGYHKPQ-UHFFFAOYSA-N 0 0 166.224 1.047 10 0 ADAERN CC[C@H](O)[C@@H](C)[C@@](C)(O)CC 115163786 573169100 /nfs/dbraw/zinc/16/91/00/573169100.db2.gz FCJQIBTXXFQMRP-VGMNWLOBSA-N 0 0 160.257 1.554 10 0 ADAERN COC[C@H](C)Oc1cccc(C)n1 308300136 573169107 /nfs/dbraw/zinc/16/91/07/573169107.db2.gz JYAHTRFNXOYCRZ-VIFPVBQESA-N 0 0 181.235 1.804 10 0 ADAERN CO[C@](C)(CCO)C(C)(C)C 258562039 573169124 /nfs/dbraw/zinc/16/91/24/573169124.db2.gz QNSRDBYPCJYBML-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CC[C@H](O)/C=C\C(=O)OC(C)C 219062378 573169134 /nfs/dbraw/zinc/16/91/34/573169134.db2.gz JUOGVLSHHWQNRN-SLGIHZDVSA-N 0 0 172.224 1.265 10 0 ADAERN O[C@@H]1CCCC[C@H]1Nn1cccc1 85830537 573169149 /nfs/dbraw/zinc/16/91/49/573169149.db2.gz WDRQXDAJXZLAKP-NXEZZACHSA-N 0 0 180.251 1.335 10 0 ADAERN CC[C@H](O)C(=O)C1(O)CCCCC1 238303407 573169150 /nfs/dbraw/zinc/16/91/50/573169150.db2.gz NUJRIYKDIAQZDA-QMMMGPOBSA-N 0 0 186.251 1.022 10 0 ADAERN C[C@H](O)c1cccn1C[C@H]1CCCO1 85833157 573169167 /nfs/dbraw/zinc/16/91/67/573169167.db2.gz ITXGLFLPMAVAJZ-VHSXEESVSA-N 0 0 195.262 1.720 10 0 ADAERN CNC(=O)SCc1ccccn1 238303740 573169181 /nfs/dbraw/zinc/16/91/81/573169181.db2.gz NPERNFIHJCMVJP-UHFFFAOYSA-N 0 0 182.248 1.654 10 0 ADAERN CC(=O)[C@H](N)c1cccc(N)c1C 104675242 573169195 /nfs/dbraw/zinc/16/91/95/573169195.db2.gz APRVVSZQKUGDBA-JTQLQIEISA-N 0 0 178.235 1.166 10 0 ADAERN O=Cc1ncc2c(n1)CSC2 258563887 573169196 /nfs/dbraw/zinc/16/91/96/573169196.db2.gz QUICPOPQVRBVCN-UHFFFAOYSA-N 0 0 166.205 1.036 10 0 ADAERN C=COCCOC(=O)C[C@H]1C[C@@H]1C 308290145 573169212 /nfs/dbraw/zinc/16/92/12/573169212.db2.gz GQQWFKDTPZGNDU-DTWKUNHWSA-N 0 0 184.235 1.736 10 0 ADAERN CCO[C@H]1NC(=O)[C@@H]2CCCC[C@H]12 238298844 573169246 /nfs/dbraw/zinc/16/92/46/573169246.db2.gz YLUUJVGBPKOULZ-KHQFGBGNSA-N 0 0 183.251 1.285 10 0 ADAERN CNC(=S)SC[C@H](C)C(C)=O 238303377 573169268 /nfs/dbraw/zinc/16/92/68/573169268.db2.gz SZNLZIBPUVJTQG-YFKPBYRVSA-N 0 0 191.321 1.449 10 0 ADAERN Cc1ccc(C)n1N[C@H]1CCC[C@H]1O 85831364 573169276 /nfs/dbraw/zinc/16/92/76/573169276.db2.gz DASRIHZQKDXCIO-WDEREUQCSA-N 0 0 194.278 1.562 10 0 ADAERN CCON1C(=O)c2ccccc2[C@H]1O 238298356 573169280 /nfs/dbraw/zinc/16/92/80/573169280.db2.gz CCOJOZDMTGFBRJ-SECBINFHSA-N 0 0 193.202 1.085 10 0 ADAERN Cc1ccc(C)n1NCC1(C)COC1 85831161 573169281 /nfs/dbraw/zinc/16/92/81/573169281.db2.gz RFKSOFUWCRKUNZ-UHFFFAOYSA-N 0 0 194.278 1.685 10 0 ADAERN CC(=O)c1cccn1C[C@@H](C)O 85832739 573169294 /nfs/dbraw/zinc/16/92/94/573169294.db2.gz PJRHMCAMKLDCDC-SSDOTTSWSA-N 0 0 167.208 1.072 10 0 ADAERN Cc1ccc(C)n1Nc1cnccn1 85832345 573169307 /nfs/dbraw/zinc/16/93/07/573169307.db2.gz SZAJVYCQQXFHPW-UHFFFAOYSA-N 0 0 188.234 1.770 10 0 ADAERN CC(C)NN1CCCCC1 115212756 573169308 /nfs/dbraw/zinc/16/93/08/573169308.db2.gz WBVNNIRQHIKNHU-UHFFFAOYSA-N 0 0 142.246 1.385 10 0 ADAERN CCO[C@H]1C[C@]12CCCC2=O 238298378 573169317 /nfs/dbraw/zinc/16/93/17/573169317.db2.gz BULQVAQFZSPEQD-IUCAKERBSA-N 0 0 154.209 1.535 10 0 ADAERN Cc1nc(SC2COC2)ccc1N 123757050 573169322 /nfs/dbraw/zinc/16/93/22/573169322.db2.gz HHRBOPLVSQVYEY-UHFFFAOYSA-N 0 0 196.275 1.463 10 0 ADAERN CC(C)(C)[C@H](O)C(=O)OC1CCC1 308289868 573169337 /nfs/dbraw/zinc/16/93/37/573169337.db2.gz FRYYLOZAQJBJQJ-MRVPVSSYSA-N 0 0 186.251 1.489 10 0 ADAERN CC(=O)c1ccn(C[C@H](C)O)c1 85833050 573169340 /nfs/dbraw/zinc/16/93/40/573169340.db2.gz XHVFLJQTWSRCCA-ZETCQYMHSA-N 0 0 167.208 1.072 10 0 ADAERN Cc1ccc(C)n1NCC(F)F 85831105 573169344 /nfs/dbraw/zinc/16/93/44/573169344.db2.gz LJIGVNNFYQECNL-UHFFFAOYSA-N 0 0 174.194 1.914 10 0 ADAERN CNC(=O)Oc1cccc2c1CCO2 238303201 573169347 /nfs/dbraw/zinc/16/93/47/573169347.db2.gz IBFWLIYLMYZFPX-UHFFFAOYSA-N 0 0 193.202 1.340 10 0 ADAERN Cc1cc(Nn2cccc2)ncn1 85832036 573169352 /nfs/dbraw/zinc/16/93/52/573169352.db2.gz VCTUXTOIZKYRSY-UHFFFAOYSA-N 0 0 174.207 1.462 10 0 ADAERN CC[C@@H]1C(=O)NC(=S)C1(C)C 238298890 573169353 /nfs/dbraw/zinc/16/93/53/573169353.db2.gz YWMUACWXTSQPAI-RXMQYKEDSA-N 0 0 171.265 1.496 10 0 ADAERN C[C@H](N)c1nnc(N[C@@H]2CC2(C)C)o1 235516147 573169357 /nfs/dbraw/zinc/16/93/57/573169357.db2.gz RKKNCEGCFOOGFB-NTSWFWBYSA-N 0 0 196.254 1.300 10 0 ADAERN Cc1cc(C(=O)[O-])cc2c1[C@H]([NH3+])CO2 104675534 573169569 /nfs/dbraw/zinc/16/95/69/573169569.db2.gz YCKPPZYOYXHLGU-SSDOTTSWSA-N 0 0 193.202 1.085 10 0 ADAERN CCc1ccn2cncc2c1OC 238298541 573169573 /nfs/dbraw/zinc/16/95/73/573169573.db2.gz ZHSGONJBASUIEJ-UHFFFAOYSA-N 0 0 176.219 1.905 10 0 ADAERN COc1c(CNO)ccc(F)c1O 257958224 573169589 /nfs/dbraw/zinc/16/95/89/573169589.db2.gz BPQRJJYCGBHIJV-UHFFFAOYSA-N 0 0 187.170 1.019 10 0 ADAERN CC[C@](C)(O)C[C@H](O)C(C)C 115163764 573169597 /nfs/dbraw/zinc/16/95/97/573169597.db2.gz ZEZQEANYDTVVNB-IUCAKERBSA-N 0 0 160.257 1.554 10 0 ADAERN F[C@H]1CCCn2ccnc21 258563759 573169606 /nfs/dbraw/zinc/16/96/06/573169606.db2.gz QSSWAOWQBBFCJE-LURJTMIESA-N 0 0 140.161 1.688 10 0 ADAERN c1cnc(CNn2cccc2)nc1 85830567 573169608 /nfs/dbraw/zinc/16/96/08/573169608.db2.gz SXNGGCHXADZYIC-UHFFFAOYSA-N 0 0 174.207 1.022 10 0 ADAERN CONCc1ccc(C)c2c1OCO2 257958266 573169613 /nfs/dbraw/zinc/16/96/13/573169613.db2.gz BQZWRJZJJCSIMY-UHFFFAOYSA-N 0 0 195.218 1.375 10 0 ADAERN C/C=C/CCNC(=O)[C@H](O)C(C)C 308291679 573169616 /nfs/dbraw/zinc/16/96/16/573169616.db2.gz HMQWKPKJWWUHIZ-XNPJLODASA-N 0 0 185.267 1.086 10 0 ADAERN CCCC[NH2+]CC1(C(=O)[O-])CCC1 258567104 573169622 /nfs/dbraw/zinc/16/96/22/573169622.db2.gz CLKLDWCCJQDQMB-UHFFFAOYSA-N 0 0 185.267 1.631 10 0 ADAERN c1cnc(Nn2cccc2)nc1 85832271 573169637 /nfs/dbraw/zinc/16/96/37/573169637.db2.gz UEMRGNMAXVUOOD-UHFFFAOYSA-N 0 0 160.180 1.153 10 0 ADAERN OC1(CNn2cccc2)CCCC1 85830667 573169664 /nfs/dbraw/zinc/16/96/64/573169664.db2.gz HWGQDGPQEAVYNV-UHFFFAOYSA-N 0 0 180.251 1.337 10 0 ADAERN C[NH2+][C@H](C)c1cc(C=O)ccc1[O-] 257957729 573169674 /nfs/dbraw/zinc/16/96/74/573169674.db2.gz XCOCUIMLZTWGAP-SSDOTTSWSA-N 0 0 179.219 1.485 10 0 ADAERN c1ccn(NC[C@@H]2CCCCO2)c1 85830306 573170240 /nfs/dbraw/zinc/17/02/40/573170240.db2.gz GZRKLBPPQIJARE-JTQLQIEISA-N 0 0 180.251 1.601 10 0 ADAERN COc1cc([C@@H](N)C(C)=O)ccc1C 104678735 573169677 /nfs/dbraw/zinc/16/96/77/573169677.db2.gz JKVCFCXCILEUGP-NSHDSACASA-N 0 0 193.246 1.592 10 0 ADAERN C/C=C\CCNC(=O)[C@H](O)C(C)C 308291680 573170280 /nfs/dbraw/zinc/17/02/80/573170280.db2.gz HMQWKPKJWWUHIZ-XRVBUDJMSA-N 0 0 185.267 1.086 10 0 ADAERN CSc1ccc(CON)c(O)c1 257958213 573169729 /nfs/dbraw/zinc/16/97/29/573169729.db2.gz BPJFCRXKLIPOID-UHFFFAOYSA-N 0 0 185.248 1.504 10 0 ADAERN C[C@H](O)c1ccn(C(F)F)c1 85834595 573169777 /nfs/dbraw/zinc/16/97/77/573169777.db2.gz LLWUJLAXFRVCET-YFKPBYRVSA-N 0 0 161.151 1.937 10 0 ADAERN O=C1CCCNN1C1CCCC1 258567216 573169778 /nfs/dbraw/zinc/16/97/78/573169778.db2.gz RESFRZOKCUWGKP-UHFFFAOYSA-N 0 0 168.240 1.056 10 0 ADAERN OCc1nc(-c2ccc[nH]2)cs1 259354972 573169779 /nfs/dbraw/zinc/16/97/79/573169779.db2.gz UMGKJXXTGVTUQN-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN Cc1cc2c(cc1C(=O)[O-])OC[C@H]2[NH3+] 104675540 573169787 /nfs/dbraw/zinc/16/97/87/573169787.db2.gz OSYYHTPZNOSZSU-MRVPVSSYSA-N 0 0 193.202 1.085 10 0 ADAERN Nc1ccc(N2C[C@@H]3CC[C@H]3C2)nc1 115233530 573169789 /nfs/dbraw/zinc/16/97/89/573169789.db2.gz FSZHXNVUEMGOIS-IUCAKERBSA-N 0 0 189.262 1.510 10 0 ADAERN C[C@H](O)[C@@H](F)[C@@H]1CCCCO1 258567276 573169804 /nfs/dbraw/zinc/16/98/04/573169804.db2.gz RFUPAUBOXSRGAR-BIIVOSGPSA-N 0 0 162.204 1.274 10 0 ADAERN CCc1ccc(C[C@@H](O)COC)cc1 49962487 573169810 /nfs/dbraw/zinc/16/98/10/573169810.db2.gz LKXICQDEFRMGIL-GFCCVEGCSA-N 0 0 194.274 1.799 10 0 ADAERN O[C@H]1CCCC[C@H]1Nn1cccc1 85830534 573169829 /nfs/dbraw/zinc/16/98/29/573169829.db2.gz WDRQXDAJXZLAKP-ZJUUUORDSA-N 0 0 180.251 1.335 10 0 ADAERN CC(C)(C)c1ccccc1NCNN 258563337 573169864 /nfs/dbraw/zinc/16/98/64/573169864.db2.gz CALSOFZNROHWHL-UHFFFAOYSA-N 0 0 193.294 1.817 10 0 ADAERN CCOC(C)(C)CCCO 238303248 573169885 /nfs/dbraw/zinc/16/98/85/573169885.db2.gz NGVLECAYRHYQFT-UHFFFAOYSA-N 0 0 146.230 1.574 10 0 ADAERN OCc1cnoc1C[C@@H]1CCCOC1 259352757 573169889 /nfs/dbraw/zinc/16/98/89/573169889.db2.gz UMICBIDMYBYPQN-QMMMGPOBSA-N 0 0 197.234 1.136 10 0 ADAERN CO[C@@H](C)CCNC(=O)OC(C)C 308291532 573169930 /nfs/dbraw/zinc/16/99/30/573169930.db2.gz JKAZTKGWVNIHMN-QMMMGPOBSA-N 0 0 189.255 1.546 10 0 ADAERN c1ccn(NC[C@H]2CCCCO2)c1 85830307 573169899 /nfs/dbraw/zinc/16/98/99/573169899.db2.gz GZRKLBPPQIJARE-SNVBAGLBSA-N 0 0 180.251 1.601 10 0 ADAERN Oc1cccc2c1NCCCO2 259352666 573169907 /nfs/dbraw/zinc/16/99/07/573169907.db2.gz UMCXEWXUYZUGFV-UHFFFAOYSA-N 0 0 165.192 1.587 10 0 ADAERN CC[C@@H](C)[C@H](O)C(=O)OCCCF 308291053 573169917 /nfs/dbraw/zinc/16/99/17/573169917.db2.gz HDVGWPJZGIOJTD-SFYZADRCSA-N 0 0 192.230 1.296 10 0 ADAERN CCO[C@H]1C[C@]12CCCCC2=O 238298391 573169925 /nfs/dbraw/zinc/16/99/25/573169925.db2.gz ISTBQRRZYKUNBY-UWVGGRQHSA-N 0 0 168.236 1.925 10 0 ADAERN OC[C@@H]1CCCC[C@@H]2C[C@H]12 258564030 573169943 /nfs/dbraw/zinc/16/99/43/573169943.db2.gz QXPWJSXUVRWDSK-VGMNWLOBSA-N 0 0 140.226 1.805 10 0 ADAERN CN(C)c1cc(F)ccc1CCO 259352648 573169948 /nfs/dbraw/zinc/16/99/48/573169948.db2.gz GKIPAHPAUJWKFJ-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN C/C=C(\C)[C@H](O)[C@](C)(O)CC 238298852 573169949 /nfs/dbraw/zinc/16/99/49/573169949.db2.gz FWHIUPKYMSLYQQ-KSOOHAFHSA-N 0 0 158.241 1.475 10 0 ADAERN c1ccc2c(c1)nn1cnccc21 104676816 573169959 /nfs/dbraw/zinc/16/99/59/573169959.db2.gz YJJRXIAMPHVNFJ-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN C[C@H](N(C)c1nnc(N)o1)C(C)(C)C 235518513 573169966 /nfs/dbraw/zinc/16/99/66/573169966.db2.gz GRTYFURVQRTIHT-LURJTMIESA-N 0 0 198.270 1.523 10 0 ADAERN CCc1ccn2c(N)cnc2c1F 238298367 573169981 /nfs/dbraw/zinc/16/99/81/573169981.db2.gz VICRPTXDZFYCHI-UHFFFAOYSA-N 0 0 179.198 1.618 10 0 ADAERN COCn1c(=S)[nH]c2ccccc21 115243833 573169983 /nfs/dbraw/zinc/16/99/83/573169983.db2.gz QGPVWELCQCJVHG-UHFFFAOYSA-N 0 0 194.259 1.929 10 0 ADAERN COc1cc(CNO)cc(C)c1F 257958126 573169984 /nfs/dbraw/zinc/16/99/84/573169984.db2.gz BLZUYSKDFWZEAA-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN C/C=C/C(=O)N[C@@H](C(F)F)C1CC1 308292118 573169991 /nfs/dbraw/zinc/16/99/91/573169991.db2.gz HTVIXWMYPODPBQ-UFUPEUMYSA-N 0 0 189.205 1.722 10 0 ADAERN COC(=O)C[C@H]1CCc2cn(C)nc21 259602330 573170004 /nfs/dbraw/zinc/17/00/04/573170004.db2.gz CYYUXWQNCYAQOM-SSDOTTSWSA-N 0 0 194.234 1.013 10 0 ADAERN CCOC(=O)CNn1c(C)ccc1C 85831046 573170048 /nfs/dbraw/zinc/17/00/48/573170048.db2.gz IRQYXJYJKJBQIS-UHFFFAOYSA-N 0 0 196.250 1.212 10 0 ADAERN CCc1c(C)cccc1[C@H]([NH3+])C(=O)[O-] 104677388 573170052 /nfs/dbraw/zinc/17/00/52/573170052.db2.gz BVKAJVLOFWVZCO-JTQLQIEISA-N 0 0 193.246 1.642 10 0 ADAERN CO[C@H]1Cc2c(O)cccc21 258563821 573170057 /nfs/dbraw/zinc/17/00/57/573170057.db2.gz QTEFMUOFBWQSIT-VIFPVBQESA-N 0 0 150.177 1.636 10 0 ADAERN CC[C@@H](C)[C@H](NCCF)C(=O)OC 308290731 573170072 /nfs/dbraw/zinc/17/00/72/573170072.db2.gz GWGLHKOWQYRQED-SFYZADRCSA-N 0 0 191.246 1.133 10 0 ADAERN Fc1cccnc1Nn1cccc1 85832083 573170081 /nfs/dbraw/zinc/17/00/81/573170081.db2.gz VLXCTSNKHIEPMC-UHFFFAOYSA-N 0 0 177.182 1.897 10 0 ADAERN C[C@H](O)c1cc(CO)ccc1F 257958289 573170104 /nfs/dbraw/zinc/17/01/04/573170104.db2.gz GNUBIEZYSCYTAG-LURJTMIESA-N 0 0 170.183 1.371 10 0 ADAERN COc1c(F)cc(F)cc1CON 257958131 573170114 /nfs/dbraw/zinc/17/01/14/573170114.db2.gz BMAPUCYZZNJMCK-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN CCOC(=O)C1=C(C)NCC[C@H]1C 238303171 573170180 /nfs/dbraw/zinc/17/01/80/573170180.db2.gz PHHKHJBKPRBPCK-SSDOTTSWSA-N 0 0 183.251 1.453 10 0 ADAERN CCOC(=O)C1=C(C)NC[C@@H](C)C1 238303188 573170187 /nfs/dbraw/zinc/17/01/87/573170187.db2.gz RDPVNMMVZBAZKF-ZETCQYMHSA-N 0 0 183.251 1.453 10 0 ADAERN C[C@H](N)c1nnc(N[C@H]2CC2(C)C)o1 235516745 573170224 /nfs/dbraw/zinc/17/02/24/573170224.db2.gz RKKNCEGCFOOGFB-WDSKDSINSA-N 0 0 196.254 1.300 10 0 ADAERN Cc1c(Cl)c(=O)c(O)cn1C 115178205 573170226 /nfs/dbraw/zinc/17/02/26/573170226.db2.gz NECLZGOTTFTUNB-UHFFFAOYSA-N 0 0 173.599 1.053 10 0 ADAERN C/C=C/[C@H](CC)CCO 238303308 573170235 /nfs/dbraw/zinc/17/02/35/573170235.db2.gz TVHYBRUKRQHIQC-WGAJWPLOSA-N 0 0 128.215 1.971 10 0 ADAERN CCc1cc(Nn2cccc2)ncn1 85832247 573170248 /nfs/dbraw/zinc/17/02/48/573170248.db2.gz KKEDTYUUSCCZGU-UHFFFAOYSA-N 0 0 188.234 1.716 10 0 ADAERN COCC[C@H](O)c1cnccc1OC 308508713 573170253 /nfs/dbraw/zinc/17/02/53/573170253.db2.gz QWZLGNRIONBNDY-VIFPVBQESA-N 0 0 197.234 1.160 10 0 ADAERN Cc1cc(N)ccc1[C@H]([NH3+])CC(=O)[O-] 104678258 573170258 /nfs/dbraw/zinc/17/02/58/573170258.db2.gz GNGFQYZCOIYMLW-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN Cc1ncoc1COC(=O)C(F)F 308291488 573170264 /nfs/dbraw/zinc/17/02/64/573170264.db2.gz IZUICYRGZNLBAV-UHFFFAOYSA-N 0 0 191.133 1.291 10 0 ADAERN C[C@@H](O)c1cc(CO)ccc1F 257958290 573170312 /nfs/dbraw/zinc/17/03/12/573170312.db2.gz GNUBIEZYSCYTAG-ZCFIWIBFSA-N 0 0 170.183 1.371 10 0 ADAERN CC[C@H](C)[C@H](O)C(=O)OCCCF 308291054 573170305 /nfs/dbraw/zinc/17/03/05/573170305.db2.gz HDVGWPJZGIOJTD-YUMQZZPRSA-N 0 0 192.230 1.296 10 0 ADAERN C/C=C\COC(=O)[C@@H]1OCC[C@@H]1C 308291357 573170326 /nfs/dbraw/zinc/17/03/26/573170326.db2.gz HEICTGCNQTYGDV-HNRDENNGSA-N 0 0 184.235 1.531 10 0 ADAERN CCn1cccc1[C@H](C)O 85833060 573170383 /nfs/dbraw/zinc/17/03/83/573170383.db2.gz PUOWMFGLZBGGIL-ZETCQYMHSA-N 0 0 139.198 1.561 10 0 ADAERN C[C@@H](O)[C@@H](C)[C@@H](O)c1ccccc1 115185886 573170384 /nfs/dbraw/zinc/17/03/84/573170384.db2.gz QHXAOJQLZHLLON-FXPVBKGRSA-N 0 0 180.247 1.737 10 0 ADAERN O=C1OCC[C@H]1NCCC1CCCC1 308508510 573170410 /nfs/dbraw/zinc/17/04/10/573170410.db2.gz HPUJXCJMBHTBFC-SNVBAGLBSA-N 0 0 197.278 1.472 10 0 ADAERN c1ccn(Nc2cnccn2)c1 85832088 573170412 /nfs/dbraw/zinc/17/04/12/573170412.db2.gz CIYPNWAULWKUAG-UHFFFAOYSA-N 0 0 160.180 1.153 10 0 ADAERN CC(=O)c1cccn1C[C@@H]1CCCO1 85832539 573170461 /nfs/dbraw/zinc/17/04/61/573170461.db2.gz BTYRZURKPZTGSC-JTQLQIEISA-N 0 0 193.246 1.870 10 0 ADAERN CCONCc1ncoc1C1CC1 308291725 573170477 /nfs/dbraw/zinc/17/04/77/573170477.db2.gz FLJQYMZWXWDAKX-UHFFFAOYSA-N 0 0 182.223 1.593 10 0 ADAERN OCc1cnoc1C[C@H]1CCCOC1 259352744 573170478 /nfs/dbraw/zinc/17/04/78/573170478.db2.gz UMICBIDMYBYPQN-MRVPVSSYSA-N 0 0 197.234 1.136 10 0 ADAERN Cc1c(O)cccc1C1(O)CC1 257958278 573170479 /nfs/dbraw/zinc/17/04/79/573170479.db2.gz GMSHLTDBTNNPKP-UHFFFAOYSA-N 0 0 164.204 1.682 10 0 ADAERN CC[C@@H](C)CN(C)C(=O)C1COC1 308290801 573170497 /nfs/dbraw/zinc/17/04/97/573170497.db2.gz GYOFTWJMISFTAI-MRVPVSSYSA-N 0 0 185.267 1.137 10 0 ADAERN Cc1cc([C@H]([NH3+])CC(=O)[O-])ccc1N 104678919 573170531 /nfs/dbraw/zinc/17/05/31/573170531.db2.gz CEOKETIQPIBYPN-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN CC(C)OC(=O)c1cc[nH]c1N 257957994 573170533 /nfs/dbraw/zinc/17/05/33/573170533.db2.gz TWLYPHWQGAFCBY-UHFFFAOYSA-N 0 0 168.196 1.162 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1CCC[C@H]1O 85831362 573170545 /nfs/dbraw/zinc/17/05/45/573170545.db2.gz DASRIHZQKDXCIO-GHMZBOCLSA-N 0 0 194.278 1.562 10 0 ADAERN Cc1ccnc([C@@H]2CC[NH2+]2)c1C(=O)[O-] 104677965 573170561 /nfs/dbraw/zinc/17/05/61/573170561.db2.gz CPECFGOHHZPDPU-ZETCQYMHSA-N 0 0 192.218 1.123 10 0 ADAERN CCOc1nc(N)c2sccc2n1 238298563 573170562 /nfs/dbraw/zinc/17/05/62/573170562.db2.gz VXXDVHCSRMVIOH-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN C[C@H](CO)c1ccc(F)c(O)c1F 257958208 573170582 /nfs/dbraw/zinc/17/05/82/573170582.db2.gz BPGFPFBYRMRJPS-RXMQYKEDSA-N 0 0 188.173 1.766 10 0 ADAERN CC(C)[C@H]([NH3+])c1ccnc(C(=O)[O-])c1 104678225 573170592 /nfs/dbraw/zinc/17/05/92/573170592.db2.gz QSXVIRXLLIGWBQ-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN NOCc1ccc(-c2ncco2)cc1 257958225 573170596 /nfs/dbraw/zinc/17/05/96/573170596.db2.gz BPQVFONJRCVTMP-UHFFFAOYSA-N 0 0 190.202 1.732 10 0 ADAERN CC/C=C(\C)[C@H](O)[C@@H](C)O 393506087 573170598 /nfs/dbraw/zinc/17/05/98/573170598.db2.gz PCNIKXSTZIVJQB-KTERXBQFSA-N 0 0 144.214 1.084 10 0 ADAERN C[C@@H](O)Cc1c(O)ccc2c1CCC2 257958176 573170612 /nfs/dbraw/zinc/17/06/12/573170612.db2.gz BOFZDXGHPVYXDA-MRVPVSSYSA-N 0 0 192.258 1.804 10 0 ADAERN Nc1ccc(N2C[C@H]3C[C@H]3C2)nc1 115237142 573170615 /nfs/dbraw/zinc/17/06/15/573170615.db2.gz RUDNOKNVKDELPR-OCAPTIKFSA-N 0 0 175.235 1.120 10 0 ADAERN CCOC(=O)C1=C(C)NC[C@H](C)C1 238303235 573170638 /nfs/dbraw/zinc/17/06/38/573170638.db2.gz RDPVNMMVZBAZKF-SSDOTTSWSA-N 0 0 183.251 1.453 10 0 ADAERN O=C([O-])c1ccc(F)c([C@H]2CC[NH2+]2)c1 104677640 573170643 /nfs/dbraw/zinc/17/06/43/573170643.db2.gz OFBVTEXPCZHBEO-SECBINFHSA-N 0 0 195.193 1.558 10 0 ADAERN [NH3+][C@H](c1ccc(C(=O)[O-])cn1)C1CC1 104678624 573170658 /nfs/dbraw/zinc/17/06/58/573170658.db2.gz GIONBDYFESIOGY-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN Cc1cc2c(cc1C(=O)[O-])OC[C@@H]2[NH3+] 104675537 573170669 /nfs/dbraw/zinc/17/06/69/573170669.db2.gz OSYYHTPZNOSZSU-QMMMGPOBSA-N 0 0 193.202 1.085 10 0 ADAERN O[C@H]1CCCC[C@@H]1Nn1cccc1 85830535 573170680 /nfs/dbraw/zinc/17/06/80/573170680.db2.gz WDRQXDAJXZLAKP-UWVGGRQHSA-N 0 0 180.251 1.335 10 0 ADAERN CN(C)CC(=O)c1cccc(O)c1 104675866 573170684 /nfs/dbraw/zinc/17/06/84/573170684.db2.gz ZRGRDCVIMWXASI-UHFFFAOYSA-N 0 0 179.219 1.137 10 0 ADAERN CCSc1cccc(C(N)=O)c1O 238303240 573170700 /nfs/dbraw/zinc/17/07/00/573170700.db2.gz IVBVTWROHHXZNV-UHFFFAOYSA-N 0 0 197.259 1.603 10 0 ADAERN CCc1c(C(=O)[O-])cccc1[C@@H](C)[NH3+] 104675584 573170732 /nfs/dbraw/zinc/17/07/32/573170732.db2.gz XFYOJXKLRFIVFM-SSDOTTSWSA-N 0 0 193.246 1.967 10 0 ADAERN O=C([O-])c1cc(F)ccc1[C@@H]1CC[NH2+]1 104677622 573170946 /nfs/dbraw/zinc/17/09/46/573170946.db2.gz GKOVJZDLKHFTMN-VIFPVBQESA-N 0 0 195.193 1.558 10 0 ADAERN Nc1cnc2c(c1)nc1n2CCCC1 115219438 573170959 /nfs/dbraw/zinc/17/09/59/573170959.db2.gz FCVYBDJJPVPYDA-UHFFFAOYSA-N 0 0 188.234 1.350 10 0 ADAERN CC[C@]1(C)C/C(=C\C(N)=O)CCO1 238303095 573170972 /nfs/dbraw/zinc/17/09/72/573170972.db2.gz PUIATIZGVYROAB-BJPMOSCESA-N 0 0 183.251 1.377 10 0 ADAERN Cc1cnccc1[C@@](C)([NH3+])CC(=O)[O-] 104676544 573170980 /nfs/dbraw/zinc/17/09/80/573170980.db2.gz KJILCYFWPIAWAG-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN C[C@@H](F)c1nc(N)nc(Cl)n1 115198893 573170984 /nfs/dbraw/zinc/17/09/84/573170984.db2.gz QUECAGJLBJWOLE-UWTATZPHSA-N 0 0 176.582 1.138 10 0 ADAERN Cc1ccnc([C@H]2CC[NH2+]2)c1C(=O)[O-] 104677968 573170998 /nfs/dbraw/zinc/17/09/98/573170998.db2.gz CPECFGOHHZPDPU-SSDOTTSWSA-N 0 0 192.218 1.123 10 0 ADAERN CCOC(C)(C)C(C)(C)CO 238303088 573171030 /nfs/dbraw/zinc/17/10/30/573171030.db2.gz YEDCFIIFKVQFKD-UHFFFAOYSA-N 0 0 160.257 1.820 10 0 ADAERN NC(=O)CCc1ccc2c(c1)NCC2 257957951 573171046 /nfs/dbraw/zinc/17/10/46/573171046.db2.gz CTFFNIXMTQBZRL-UHFFFAOYSA-N 0 0 190.246 1.073 10 0 ADAERN CCc1c(O)cccc1C(N)=S 238303193 573171056 /nfs/dbraw/zinc/17/10/56/573171056.db2.gz PNZREEPMZYVPGP-UHFFFAOYSA-N 0 0 181.260 1.589 10 0 ADAERN OC[C@@H]1CC2CCC1(CO)CC2 115236586 573171061 /nfs/dbraw/zinc/17/10/61/573171061.db2.gz CUMWZPUWCPGSHS-KYHHOPLUSA-N 0 0 170.252 1.168 10 0 ADAERN CN1C(=S)NC[C@H]2CCCC[C@@H]21 238303643 573171074 /nfs/dbraw/zinc/17/10/74/573171074.db2.gz WGJZGDNBDVCVGX-SFYZADRCSA-N 0 0 184.308 1.365 10 0 ADAERN C/C=C/C=C\CN1CCOCC1 225620919 573171083 /nfs/dbraw/zinc/17/10/83/573171083.db2.gz HENKQYUNEPYEQU-IAROGAJJSA-N 0 0 167.252 1.451 10 0 ADAERN Cc1ccc([C@](C)([NH3+])CC(=O)[O-])cn1 104675707 573171107 /nfs/dbraw/zinc/17/11/07/573171107.db2.gz OFUHXLFBZXERIJ-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN C/C=C/COC(=O)[C@@H]1OCC[C@H]1C 308291359 573171114 /nfs/dbraw/zinc/17/11/14/573171114.db2.gz HEICTGCNQTYGDV-HUGTUPKYSA-N 0 0 184.235 1.531 10 0 ADAERN CCOCCCOC(=O)C=C(C)C 308291311 573171120 /nfs/dbraw/zinc/17/11/20/573171120.db2.gz FDMOZBHACBLRTB-UHFFFAOYSA-N 0 0 186.251 1.922 10 0 ADAERN CO[C@@H](C)CCn1cccc1C=O 308290582 573171142 /nfs/dbraw/zinc/17/11/42/573171142.db2.gz HKHPBKFFLNROIH-VIFPVBQESA-N 0 0 181.235 1.726 10 0 ADAERN CCO[C@H]1NC(=O)[C@@H]2CC=CC[C@H]12 238298830 573171147 /nfs/dbraw/zinc/17/11/47/573171147.db2.gz VUPOTFWQDUSCIK-KHQFGBGNSA-N 0 0 181.235 1.061 10 0 ADAERN OC1(c2cccc3c2OCO3)CC1 257958298 573171200 /nfs/dbraw/zinc/17/12/00/573171200.db2.gz GOFWWVLCIDATII-UHFFFAOYSA-N 0 0 178.187 1.397 10 0 ADAERN CCC(C)(C)[C@@H](O)OC 115242974 573171202 /nfs/dbraw/zinc/17/12/02/573171202.db2.gz YFNPUUQVYQNDFR-LURJTMIESA-N 0 0 132.203 1.387 10 0 ADAERN CC[C@@H]1CCC(O)=C1C(C)=O 238303402 573171209 /nfs/dbraw/zinc/17/12/09/573171209.db2.gz OERUJSUFRIFEOP-VXNVDRBHSA-N 0 0 154.209 1.581 10 0 ADAERN C[NH2+][C@H](CCCC(=O)[O-])c1ccc[nH]1 259349674 573171212 /nfs/dbraw/zinc/17/12/12/573171212.db2.gz KQLDVGPCCQSWRB-MRVPVSSYSA-N 0 0 196.250 1.530 10 0 ADAERN O=C1OCC[C@@H]1NCCC1CCCC1 308508509 573171227 /nfs/dbraw/zinc/17/12/27/573171227.db2.gz HPUJXCJMBHTBFC-JTQLQIEISA-N 0 0 197.278 1.472 10 0 ADAERN C/C=C\CN(C)C[C@@H](O)C(F)(F)F 308290988 573171230 /nfs/dbraw/zinc/17/12/30/573171230.db2.gz GZUVUGXZNVVVCY-KFOINNEUSA-N 0 0 197.200 1.418 10 0 ADAERN COc1cc([C@@H](C)O)c(O)cc1C 257958128 573171246 /nfs/dbraw/zinc/17/12/46/573171246.db2.gz BMADRDKNOAVGIR-SSDOTTSWSA-N 0 0 182.219 1.763 10 0 ADAERN CCON1C(=O)c2ccccc2[C@@H]1O 238298340 573171250 /nfs/dbraw/zinc/17/12/50/573171250.db2.gz CCOJOZDMTGFBRJ-VIFPVBQESA-N 0 0 193.202 1.085 10 0 ADAERN Cc1cc(C(=O)[O-])cc2c1[C@@H]([NH3+])CO2 104675536 573171277 /nfs/dbraw/zinc/17/12/77/573171277.db2.gz YCKPPZYOYXHLGU-ZETCQYMHSA-N 0 0 193.202 1.085 10 0 ADAERN [NH3+][C@H]1CCOc2cc(C(=O)[O-])ccc21 104676323 573171290 /nfs/dbraw/zinc/17/12/90/573171290.db2.gz FNENGAZBLZPVGV-QMMMGPOBSA-N 0 0 193.202 1.167 10 0 ADAERN CO[C@@H](c1cccs1)N(C)C 259352073 573171293 /nfs/dbraw/zinc/17/12/93/573171293.db2.gz ZYQXZEPZCJMLIN-QMMMGPOBSA-N 0 0 171.265 1.955 10 0 ADAERN C/C=C/COC(=O)[C@@H]1OCC[C@@H]1C 308291356 573171318 /nfs/dbraw/zinc/17/13/18/573171318.db2.gz HEICTGCNQTYGDV-DXMIZCBPSA-N 0 0 184.235 1.531 10 0 ADAERN CC[C@H](C(N)=O)c1cccc(C)c1 238303220 573171322 /nfs/dbraw/zinc/17/13/22/573171322.db2.gz UBIOGWACKKDBPW-JTQLQIEISA-N 0 0 177.247 1.974 10 0 ADAERN c1nc2cc3ocnc3cc2o1 104675838 573171338 /nfs/dbraw/zinc/17/13/38/573171338.db2.gz PMJNNCUVWHTTMV-UHFFFAOYSA-N 0 0 160.132 1.969 10 0 ADAERN C/C=C\COC(=O)C[C@H]1CCCO1 308290510 573171339 /nfs/dbraw/zinc/17/13/39/573171339.db2.gz GURGCGXRRHUNGH-PKRMOACSSA-N 0 0 184.235 1.675 10 0 ADAERN CC[C@H](C(N)=O)C1(O)CCCCCC1 238302974 573171352 /nfs/dbraw/zinc/17/13/52/573171352.db2.gz BGNTYISQEMLYLD-SECBINFHSA-N 0 0 199.294 1.583 10 0 ADAERN COC[C@H](OC)c1cccc(C=O)c1 257958172 573171356 /nfs/dbraw/zinc/17/13/56/573171356.db2.gz GJWFWFRPMUMDRT-NSHDSACASA-N 0 0 194.230 1.833 10 0 ADAERN CC(C)[C@H](C)[C@@H]([NH3+])C(C)(C)C(=O)[O-] 308290534 573171372 /nfs/dbraw/zinc/17/13/72/573171372.db2.gz HDVJZSGPEWGNPG-JGVFFNPUSA-N 0 0 187.283 1.717 10 0 ADAERN CC[C@H](C)CN(C)C(=O)C1COC1 308290802 573171394 /nfs/dbraw/zinc/17/13/94/573171394.db2.gz GYOFTWJMISFTAI-QMMMGPOBSA-N 0 0 185.267 1.137 10 0 ADAERN CC[C@H](C(N)=O)c1ccco1 238303286 573171409 /nfs/dbraw/zinc/17/14/09/573171409.db2.gz CHNWTAFCVUKJDK-LURJTMIESA-N 0 0 153.181 1.259 10 0 ADAERN CCC[C@@](NC)(C(=O)OCC)C1CC1 308508209 573171410 /nfs/dbraw/zinc/17/14/10/573171410.db2.gz AUHJMDSPOJUPAW-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN CN1C(=O)C(=O)C2CCCC[C@@H]21 238303579 573171430 /nfs/dbraw/zinc/17/14/30/573171430.db2.gz IUOYJCQOARMTBD-ZETCQYMHSA-N 0 0 167.208 1.213 10 0 ADAERN Cc1ccnc([C@](C)([NH3+])CC(=O)[O-])c1 104675727 573171443 /nfs/dbraw/zinc/17/14/43/573171443.db2.gz CBRGRUAUNCUQRV-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN CCC(CC)Cn1nncc1C(C)=O 308508686 573171444 /nfs/dbraw/zinc/17/14/44/573171444.db2.gz QUSHNXQHYOZUHI-UHFFFAOYSA-N 0 0 195.266 1.917 10 0 ADAERN Cc1cncc([C@](C)([NH3+])CC(=O)[O-])c1 104676528 573171472 /nfs/dbraw/zinc/17/14/72/573171472.db2.gz ZZNNXXJYMOZZCO-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN CC(=O)C1(c2ccc(F)cc2)COC1 258566143 573171480 /nfs/dbraw/zinc/17/14/80/573171480.db2.gz MOWVTEUSTBRJOQ-UHFFFAOYSA-N 0 0 194.205 1.683 10 0 ADAERN O=C([O-])c1cccc(F)c1[C@H]1CC[NH2+]1 104675818 573171488 /nfs/dbraw/zinc/17/14/88/573171488.db2.gz ALENHEMSBWXLHL-MRVPVSSYSA-N 0 0 195.193 1.558 10 0 ADAERN C[N@@H+]1CCC[C@@H](C2CC2)[C@@H]1C(=O)[O-] 238298824 573171569 /nfs/dbraw/zinc/17/15/69/573171569.db2.gz JSSSIEGFYSRNCC-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN C[NH2+][C@@H](C)c1cc(C=O)ccc1[O-] 257957731 573171572 /nfs/dbraw/zinc/17/15/72/573171572.db2.gz XCOCUIMLZTWGAP-ZETCQYMHSA-N 0 0 179.219 1.485 10 0 ADAERN Cc1ccc(O)cc1[C@H]1COCCN1 104677378 573173114 /nfs/dbraw/zinc/17/31/14/573173114.db2.gz MMLPSFBLHHPCMK-LLVKDONJSA-N 0 0 193.246 1.362 10 0 ADAERN C[C@H](O)[C@H]1Cc2cc(O)ccc2O1 258237748 573171603 /nfs/dbraw/zinc/17/16/03/573171603.db2.gz WXAOUDJHQDBBAK-QUBYGPBYSA-N 0 0 180.203 1.077 10 0 ADAERN CCOC(=O)C1=C(C)NC[C@H]1C 238303247 573171605 /nfs/dbraw/zinc/17/16/05/573171605.db2.gz LHMXMNCJXRCTSE-ZCFIWIBFSA-N 0 0 169.224 1.063 10 0 ADAERN NOCc1cccc(OC2CC2)c1 257958276 573171628 /nfs/dbraw/zinc/17/16/28/573171628.db2.gz GMKGTLIUEKTJCH-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN CN(C)CC(=O)c1ccccc1N 104676713 573171667 /nfs/dbraw/zinc/17/16/67/573171667.db2.gz NIGDXPOXYJATTH-UHFFFAOYSA-N 0 0 178.235 1.013 10 0 ADAERN Cc1ccc([C@@](C)([NH3+])CC(=O)[O-])cn1 104676547 573171684 /nfs/dbraw/zinc/17/16/84/573171684.db2.gz OFUHXLFBZXERIJ-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN CC[C@@H]1NC(=O)CC[C@H]1CC 238303287 573171709 /nfs/dbraw/zinc/17/17/09/573171709.db2.gz VQXXIOQFWMOUIT-SFYZADRCSA-N 0 0 155.241 1.701 10 0 ADAERN COCC[C@@H](O)c1cnccc1OC 308508712 573171740 /nfs/dbraw/zinc/17/17/40/573171740.db2.gz QWZLGNRIONBNDY-SECBINFHSA-N 0 0 197.234 1.160 10 0 ADAERN C/C=C\CN(C)C[C@H](O)C(F)(F)F 308290987 573171761 /nfs/dbraw/zinc/17/17/61/573171761.db2.gz GZUVUGXZNVVVCY-AVALRIAPSA-N 0 0 197.200 1.418 10 0 ADAERN O=Cc1ccccc1[C@@H]1CCO1 258565580 573171765 /nfs/dbraw/zinc/17/17/65/573171765.db2.gz RDUJZEVSPVOPCJ-JTQLQIEISA-N 0 0 162.188 1.961 10 0 ADAERN CC1(C)NC[C@H](F)C1(F)F 258565586 573171771 /nfs/dbraw/zinc/17/17/71/573171771.db2.gz RDZZZKVBKMTPRQ-BYPYZUCNSA-N 0 0 153.147 1.342 10 0 ADAERN C/C=C\COC(=O)[C@@H]1OCC[C@H]1C 308291360 573171798 /nfs/dbraw/zinc/17/17/98/573171798.db2.gz HEICTGCNQTYGDV-UREXNXCXSA-N 0 0 184.235 1.531 10 0 ADAERN CCOC(=O)C1=C(C)NC[C@@H]1C 238303203 573171846 /nfs/dbraw/zinc/17/18/46/573171846.db2.gz LHMXMNCJXRCTSE-LURJTMIESA-N 0 0 169.224 1.063 10 0 ADAERN CC(=O)[C@H](N)c1ccc2c(c1)OCO2 104678078 573171847 /nfs/dbraw/zinc/17/18/47/573171847.db2.gz BDJKDVMEXCHGBC-JTQLQIEISA-N 0 0 193.202 1.004 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ccnc(C(=O)[O-])c1 104678227 573171859 /nfs/dbraw/zinc/17/18/59/573171859.db2.gz QSXVIRXLLIGWBQ-SECBINFHSA-N 0 0 194.234 1.436 10 0 ADAERN C[C@@]1(C2CC2)CNC(=O)OC1 258482531 573171891 /nfs/dbraw/zinc/17/18/91/573171891.db2.gz JINYMGZRYLBTKC-MRVPVSSYSA-N 0 0 155.197 1.143 10 0 ADAERN CC(C)c1nc2n(n1)CCC[C@H]2CO 258566535 573171896 /nfs/dbraw/zinc/17/18/96/573171896.db2.gz UGWCBMSQTLKLRT-QMMMGPOBSA-N 0 0 195.266 1.271 10 0 ADAERN CCOCCOc1ccnc(C)c1 308291295 573171902 /nfs/dbraw/zinc/17/19/02/573171902.db2.gz FCHOBGNNUJQJRR-UHFFFAOYSA-N 0 0 181.235 1.805 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)[C@]1(C)CC 238298865 573171945 /nfs/dbraw/zinc/17/19/45/573171945.db2.gz RWFLNMZIMJJXCL-HZGVNTEJSA-N 0 0 169.224 1.085 10 0 ADAERN CNC(=S)SCc1ccccn1 238303441 573171961 /nfs/dbraw/zinc/17/19/61/573171961.db2.gz RKGFAXDTOFPQHT-UHFFFAOYSA-N 0 0 198.316 1.819 10 0 ADAERN CCn1ccc([C@H](O)C2CC2)c1 85844623 573171962 /nfs/dbraw/zinc/17/19/62/573171962.db2.gz RXTCKZDYQDGOMJ-SNVBAGLBSA-N 0 0 165.236 1.951 10 0 ADAERN C[C@@H](O)[C@H]1Cc2cc(O)ccc2O1 258237742 573171973 /nfs/dbraw/zinc/17/19/73/573171973.db2.gz WXAOUDJHQDBBAK-LHLIQPBNSA-N 0 0 180.203 1.077 10 0 ADAERN CCONCc1ccnc(OC)c1 308290835 573171983 /nfs/dbraw/zinc/17/19/83/573171983.db2.gz DVLRPSKPAZMRAY-UHFFFAOYSA-N 0 0 182.223 1.131 10 0 ADAERN CC[C@H]1COC[C@]1(NC)C(F)F 642858828 573171996 /nfs/dbraw/zinc/17/19/96/573171996.db2.gz QOVBOTDBIHGWIO-POYBYMJQSA-N 0 0 179.210 1.266 10 0 ADAERN CC(C)[C@H]([NH3+])c1cccnc1C(=O)[O-] 104676512 573172008 /nfs/dbraw/zinc/17/20/08/573172008.db2.gz KKYUQFSOEATLCD-QMMMGPOBSA-N 0 0 194.234 1.436 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)[C@@]1(C)CC 238298838 573172015 /nfs/dbraw/zinc/17/20/15/573172015.db2.gz RWFLNMZIMJJXCL-MUWHJKNJSA-N 0 0 169.224 1.085 10 0 ADAERN C[C@H](O)[C@@H]1Cc2cc(O)ccc2O1 258237751 573172057 /nfs/dbraw/zinc/17/20/57/573172057.db2.gz WXAOUDJHQDBBAK-WKEGUHRASA-N 0 0 180.203 1.077 10 0 ADAERN CCc1cc(O)ccc1[C@@H](N)C(C)=O 104678721 573172064 /nfs/dbraw/zinc/17/20/64/573172064.db2.gz HXNRGOPBWVJJQO-NSHDSACASA-N 0 0 193.246 1.543 10 0 ADAERN Cc1nc(C)n(C2CCC2)n1 258565425 573172067 /nfs/dbraw/zinc/17/20/67/573172067.db2.gz RAQPDROAKDIZNG-UHFFFAOYSA-N 0 0 151.213 1.620 10 0 ADAERN COc1cccc(C)c1[C@@H](N)C(C)=O 104677374 573172090 /nfs/dbraw/zinc/17/20/90/573172090.db2.gz IBBIDPHCGSXGJE-NSHDSACASA-N 0 0 193.246 1.592 10 0 ADAERN CCc1cc(C(=O)CN)ccc1F 257958303 573172094 /nfs/dbraw/zinc/17/20/94/573172094.db2.gz GOIPQVIWUUGDCM-UHFFFAOYSA-N 0 0 181.210 1.530 10 0 ADAERN CC[C@]1(C)CC(=O)CO1 238303252 573172098 /nfs/dbraw/zinc/17/20/98/573172098.db2.gz AXDWWWNKOWMOAQ-SSDOTTSWSA-N 0 0 128.171 1.145 10 0 ADAERN CCn1cnc(N)c2nc(Cl)nc1-2 238303450 573172123 /nfs/dbraw/zinc/17/21/23/573172123.db2.gz PSVZZHHKHPJRRY-UHFFFAOYSA-N 0 0 197.629 1.033 10 0 ADAERN CCc1ccc(O)c(CCON)c1 257958193 573172128 /nfs/dbraw/zinc/17/21/28/573172128.db2.gz GKTBLKFBWHOAPU-UHFFFAOYSA-N 0 0 181.235 1.387 10 0 ADAERN CCn1ccnc1-c1ncc[nH]1 238302932 573172148 /nfs/dbraw/zinc/17/21/48/573172148.db2.gz KYMKFISXRHQUEG-UHFFFAOYSA-N 0 0 162.196 1.293 10 0 ADAERN CCC1(C2(CO)CCC2)COC1 258568615 573173567 /nfs/dbraw/zinc/17/35/67/573173567.db2.gz NCWTZVSWTUOJRK-UHFFFAOYSA-N 0 0 170.252 1.576 10 0 ADAERN CC[C@]1(C)C(=O)NC(=O)[C@@]1(C)CC 238302922 573172167 /nfs/dbraw/zinc/17/21/67/573172167.db2.gz BEWRRIJBEXTFEQ-NXEZZACHSA-N 0 0 183.251 1.475 10 0 ADAERN Nc1c[nH]c(Oc2ccccc2)n1 257959040 573172172 /nfs/dbraw/zinc/17/21/72/573172172.db2.gz YAXWJCMMIMGJSI-UHFFFAOYSA-N 0 0 175.191 1.784 10 0 ADAERN COC(=O)N(C)C1CCC(=O)CC1 85871471 573172192 /nfs/dbraw/zinc/17/21/92/573172192.db2.gz JSIUERWFPWNPSY-UHFFFAOYSA-N 0 0 185.223 1.196 10 0 ADAERN CC(C)(O)c1c(F)ccc(O)c1F 257958203 573172196 /nfs/dbraw/zinc/17/21/96/573172196.db2.gz BPAVVHGGCRCSEX-UHFFFAOYSA-N 0 0 188.173 1.898 10 0 ADAERN OCC1(C2CC2)CC=CC1 642858036 573172200 /nfs/dbraw/zinc/17/22/00/573172200.db2.gz KWEPUNQPWFZARF-UHFFFAOYSA-N 0 0 138.210 1.725 10 0 ADAERN CC[C@@H]1CCC(=O)[C@@H](C)C1=O 238303313 573172223 /nfs/dbraw/zinc/17/22/23/573172223.db2.gz BOMBXEUKFJKRDK-RNFRBKRXSA-N 0 0 154.209 1.581 10 0 ADAERN CC[C@@H](O)c1ccn(CC)c1 85838647 573172224 /nfs/dbraw/zinc/17/22/24/573172224.db2.gz SCHPDICEFYYTLY-SECBINFHSA-N 0 0 153.225 1.951 10 0 ADAERN CC(C)C(=O)c1ccn(CCO)c1 85842814 573172245 /nfs/dbraw/zinc/17/22/45/573172245.db2.gz BENSIFRCUBHRKT-UHFFFAOYSA-N 0 0 181.235 1.319 10 0 ADAERN CCn1ccnc1-c1c[nH]cn1 238302913 573172264 /nfs/dbraw/zinc/17/22/64/573172264.db2.gz WKEQGDCXKSNQLN-UHFFFAOYSA-N 0 0 162.196 1.293 10 0 ADAERN CCC(=O)CCCn1cc(OC)cn1 308508967 573172301 /nfs/dbraw/zinc/17/23/01/573172301.db2.gz BCSRNQRLBRYFBI-UHFFFAOYSA-N 0 0 196.250 1.651 10 0 ADAERN CC[C@@H](O)CCC1(C)OCCO1 198010212 573172304 /nfs/dbraw/zinc/17/23/04/573172304.db2.gz RHASDXZAWVHUOB-MRVPVSSYSA-N 0 0 174.240 1.301 10 0 ADAERN O=C1C[C@H](CCO)[C@@H](C2CCCC2)N1 215079936 573172310 /nfs/dbraw/zinc/17/23/10/573172310.db2.gz FADTUFLANPIQNR-GXSJLCMTSA-N 0 0 197.278 1.064 10 0 ADAERN OC1CCC(Oc2ccccn2)CC1 259355562 573172313 /nfs/dbraw/zinc/17/23/13/573172313.db2.gz AFQNBDYFMYXGMT-UHFFFAOYSA-N 0 0 193.246 1.764 10 0 ADAERN CC[C@@H](NN)C1CCC(OC)CC1 686351744 573172321 /nfs/dbraw/zinc/17/23/21/573172321.db2.gz SZYYIRPLQOQZJM-UDNWOFFPSA-N 0 0 186.299 1.434 10 0 ADAERN COc1ccc(CNO)c(F)c1O 257958167 573172329 /nfs/dbraw/zinc/17/23/29/573172329.db2.gz BNRPZVYRIXIDQX-UHFFFAOYSA-N 0 0 187.170 1.019 10 0 ADAERN Cc1cncc([C@@](C)([NH3+])CC(=O)[O-])c1 104677550 573172334 /nfs/dbraw/zinc/17/23/34/573172334.db2.gz ZZNNXXJYMOZZCO-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN C[C@@H](CO)c1cccc2[nH]c(=O)[nH]c12 257958133 573172343 /nfs/dbraw/zinc/17/23/43/573172343.db2.gz BMDONNIPMROKQW-LURJTMIESA-N 0 0 192.218 1.364 10 0 ADAERN N#CNc1ccc(-c2ccccn2)nn1 259353473 573172363 /nfs/dbraw/zinc/17/23/63/573172363.db2.gz ROZPTZJNVWEUBE-UHFFFAOYSA-N 0 0 197.201 1.432 10 0 ADAERN C/C=C/COC(=O)C[C@H]1CCCO1 308290508 573172364 /nfs/dbraw/zinc/17/23/64/573172364.db2.gz GURGCGXRRHUNGH-GKQMSVHHSA-N 0 0 184.235 1.675 10 0 ADAERN CC(C)(O)c1ccc2c(c1)OCOC2 257958175 573172367 /nfs/dbraw/zinc/17/23/67/573172367.db2.gz BODZAIIHGBCXCF-UHFFFAOYSA-N 0 0 194.230 1.781 10 0 ADAERN c1ccc2c(c1)nn1cccnc21 104676811 573172388 /nfs/dbraw/zinc/17/23/88/573172388.db2.gz GFGFXJMTIXGYHF-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN Cc1ccc(C[C@H](C)O)cc1N 259355709 573172414 /nfs/dbraw/zinc/17/24/14/573172414.db2.gz GOIJLVPMXVMDOP-QMMMGPOBSA-N 0 0 165.236 1.501 10 0 ADAERN Cc1ccc([C@H]([NH3+])CC(=O)[O-])c(N)c1 104678935 573172418 /nfs/dbraw/zinc/17/24/18/573172418.db2.gz WNNIKDBIKFCVPL-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)c(O)c(C)c1 104678123 573172432 /nfs/dbraw/zinc/17/24/32/573172432.db2.gz YKYBLUKSOKWEIU-JTQLQIEISA-N 0 0 193.246 1.598 10 0 ADAERN CC[C@@H](C(=O)OC)C1(C)COC1 258566174 573172433 /nfs/dbraw/zinc/17/24/33/573172433.db2.gz MPXFNGJYQXOYKY-ZETCQYMHSA-N 0 0 172.224 1.222 10 0 ADAERN CCO[C@H]1C[C@@H]1C(=O)Cc1ccoc1 689928860 573172442 /nfs/dbraw/zinc/17/24/42/573172442.db2.gz ZVHWMWRISJTHQV-KOLCDFICSA-N 0 0 194.230 1.816 10 0 ADAERN CC(C)[C@@H](C)[C@H]([NH3+])C(C)(C)C(=O)[O-] 308290535 573172451 /nfs/dbraw/zinc/17/24/51/573172451.db2.gz HDVJZSGPEWGNPG-SFYZADRCSA-N 0 0 187.283 1.717 10 0 ADAERN [NH3+][C@@H](c1ccnc(C(=O)[O-])c1)C1CC1 104677175 573172492 /nfs/dbraw/zinc/17/24/92/573172492.db2.gz XUNYPOMFQKKHCA-SECBINFHSA-N 0 0 192.218 1.190 10 0 ADAERN COc1cccc2[nH]oc(=O)c12 258565441 573172509 /nfs/dbraw/zinc/17/25/09/573172509.db2.gz RBBNXZKAJSVSSH-UHFFFAOYSA-N 0 0 165.148 1.130 10 0 ADAERN COc1cccc(C)c1[C@H](N)C(C)=O 104677371 573172527 /nfs/dbraw/zinc/17/25/27/573172527.db2.gz IBBIDPHCGSXGJE-LLVKDONJSA-N 0 0 193.246 1.592 10 0 ADAERN CCCCN[C@@H](CC)C(=O)OCC 82757712 573172529 /nfs/dbraw/zinc/17/25/29/573172529.db2.gz AQBKJTZUGPUTBM-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN C/C=C/CCNC(=O)[C@@H](O)C(C)C 308291676 573172534 /nfs/dbraw/zinc/17/25/34/573172534.db2.gz HMQWKPKJWWUHIZ-MOVJSRMASA-N 0 0 185.267 1.086 10 0 ADAERN c1ccc2c(c1)NCO2 104677655 573172540 /nfs/dbraw/zinc/17/25/40/573172540.db2.gz HRCMXYXVAWHBTH-UHFFFAOYSA-N 0 0 121.139 1.448 10 0 ADAERN C/C=C\C(=O)N[C@H](C(F)F)C1CC1 308292114 573172543 /nfs/dbraw/zinc/17/25/43/573172543.db2.gz HTVIXWMYPODPBQ-KZUAUGPASA-N 0 0 189.205 1.722 10 0 ADAERN O=C([O-])c1ccc(F)c([C@@H]2CC[NH2+]2)c1 104677637 573172605 /nfs/dbraw/zinc/17/26/05/573172605.db2.gz OFBVTEXPCZHBEO-VIFPVBQESA-N 0 0 195.193 1.558 10 0 ADAERN Cc1cn2ncnc2s1 104675973 573172627 /nfs/dbraw/zinc/17/26/27/573172627.db2.gz SOTAEMXKCMOLHY-UHFFFAOYSA-N 0 0 139.183 1.099 10 0 ADAERN CCCOc1cnn(CC(=O)CC)c1 308509006 573172630 /nfs/dbraw/zinc/17/26/30/573172630.db2.gz BFHQIFXZEKNJQJ-UHFFFAOYSA-N 0 0 196.250 1.651 10 0 ADAERN Cc1c(O)cccc1[C@H]1COCCN1 104678113 573172635 /nfs/dbraw/zinc/17/26/35/573172635.db2.gz IWENHVXKCFOXBQ-SNVBAGLBSA-N 0 0 193.246 1.362 10 0 ADAERN COc1cc(F)c(O)cc1CNO 257958184 573172672 /nfs/dbraw/zinc/17/26/72/573172672.db2.gz BOKUDUHOYBTRHA-UHFFFAOYSA-N 0 0 187.170 1.019 10 0 ADAERN C[C@H](CO)c1cccc2[nH]c(=O)[nH]c12 257958134 573172697 /nfs/dbraw/zinc/17/26/97/573172697.db2.gz BMDONNIPMROKQW-ZCFIWIBFSA-N 0 0 192.218 1.364 10 0 ADAERN C[C@H](CC(F)F)Cn1ccc(N)n1 688756067 573172725 /nfs/dbraw/zinc/17/27/25/573172725.db2.gz NDGYZCNKROKZSS-ZCFIWIBFSA-N 0 0 189.209 1.757 10 0 ADAERN CC(C)[C@@H](O)c1ccn(C)c1 85842955 573172732 /nfs/dbraw/zinc/17/27/32/573172732.db2.gz HNUAFHPVYUDXSM-SECBINFHSA-N 0 0 153.225 1.715 10 0 ADAERN C[C@H](C[C@@H]1CCSC1)ON 259352901 573172737 /nfs/dbraw/zinc/17/27/37/573172737.db2.gz FJNBZGTVGIFJFV-RQJHMYQMSA-N 0 0 161.270 1.408 10 0 ADAERN CCc1cc(=O)n2cc(C)ccc2n1 238303903 573172744 /nfs/dbraw/zinc/17/27/44/573172744.db2.gz ZFPWEYLNKMETHW-UHFFFAOYSA-N 0 0 188.230 1.565 10 0 ADAERN Cc1ccc(/C=C/NO)cc1 104676907 573172765 /nfs/dbraw/zinc/17/27/65/573172765.db2.gz YREUCMZHSNXFJN-VOTSOKGWSA-N 0 0 149.193 1.945 10 0 ADAERN Cc1cc([C@](C)([NH3+])CC(=O)[O-])ccn1 104677517 573173622 /nfs/dbraw/zinc/17/36/22/573173622.db2.gz UWJGLCBFDKEJAY-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 715256124 573172777 /nfs/dbraw/zinc/17/27/77/573172777.db2.gz MURBSNVPWSZLJH-KYXWUPHJSA-N 0 0 197.278 1.485 10 0 ADAERN C[C@@H](O)c1cccc(CC2(O)CC2)c1 259355623 573172788 /nfs/dbraw/zinc/17/27/88/573172788.db2.gz GMKAWCUDAQYOBP-SECBINFHSA-N 0 0 192.258 1.807 10 0 ADAERN O=C([O-])[C@@]1(F)CC[N@@H+]2CCC[C@H]2C1 257957683 573172791 /nfs/dbraw/zinc/17/27/91/573172791.db2.gz XCINZJKXTCBKSG-IONNQARKSA-N 0 0 187.214 1.038 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)Cc1ccoc1 689928865 573172794 /nfs/dbraw/zinc/17/27/94/573172794.db2.gz ZVHWMWRISJTHQV-MWLCHTKSSA-N 0 0 194.230 1.816 10 0 ADAERN O=C([O-])C[C@]1(c2ccccc2)CC[NH2+]1 258237699 573172804 /nfs/dbraw/zinc/17/28/04/573172804.db2.gz POTJUUQHULDLPT-NSHDSACASA-N 0 0 191.230 1.350 10 0 ADAERN CC1CC([NH2+]C[C@@H]2C[C@@H]2C(=O)[O-])C1 715255447 573172808 /nfs/dbraw/zinc/17/28/08/573172808.db2.gz KIZHGBJBSCEIBZ-QKZHKQSRSA-N 0 0 183.251 1.095 10 0 ADAERN [NH3+][C@H](c1ccncc1C(=O)[O-])C1CC1 104676219 573172841 /nfs/dbraw/zinc/17/28/41/573172841.db2.gz MPLLGKFKMUROHN-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN CC[C@]1(C)CC[C@H](C(C)=O)O1 238304171 573172858 /nfs/dbraw/zinc/17/28/58/573172858.db2.gz YZYTVHCTDUDOIA-RKDXNWHRSA-N 0 0 156.225 1.923 10 0 ADAERN OCCc1cc2c(cc1O)CCCC2 257958255 573172871 /nfs/dbraw/zinc/17/28/71/573172871.db2.gz BQNRBXVORZWYEP-UHFFFAOYSA-N 0 0 192.258 1.806 10 0 ADAERN CC(C)Oc1ccccc1NCO 258565261 573172882 /nfs/dbraw/zinc/17/28/82/573172882.db2.gz CERQLHGXECKLFG-UHFFFAOYSA-N 0 0 181.235 1.836 10 0 ADAERN CCNc1cc(C=O)ccc1OC 115283984 573172885 /nfs/dbraw/zinc/17/28/85/573172885.db2.gz MHXFOTURTNGLIC-UHFFFAOYSA-N 0 0 179.219 1.940 10 0 ADAERN Cc1cc([C@@](C)([NH3+])CC(=O)[O-])ccn1 104678279 573172890 /nfs/dbraw/zinc/17/28/90/573172890.db2.gz UWJGLCBFDKEJAY-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1nc(CO)no1 717223455 573172906 /nfs/dbraw/zinc/17/29/06/573172906.db2.gz AVQNVBUAOHYLJR-CWKFCGSDSA-N 0 0 194.234 1.321 10 0 ADAERN Cc1cc(-c2[nH]nc(N)c2C)ccn1 235870927 573172921 /nfs/dbraw/zinc/17/29/21/573172921.db2.gz FREYZFKTPFJBGW-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CCc1ccc(O)cc1[C@H](N)C(C)=O 104678725 573172928 /nfs/dbraw/zinc/17/29/28/573172928.db2.gz KRVIXBIPEBIIHJ-LLVKDONJSA-N 0 0 193.246 1.543 10 0 ADAERN Cc1n[nH]c2ccc([C@H](C)CO)cc12 257958148 573172936 /nfs/dbraw/zinc/17/29/36/573172936.db2.gz BNBIJJAMSACUKZ-SSDOTTSWSA-N 0 0 190.246 1.967 10 0 ADAERN CC1(C2(CO)CCC2)COC1 258568599 573172937 /nfs/dbraw/zinc/17/29/37/573172937.db2.gz NCSNBAWPIRHXJC-UHFFFAOYSA-N 0 0 156.225 1.186 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2cc(O)ccc2O1 258237737 573172957 /nfs/dbraw/zinc/17/29/57/573172957.db2.gz WXAOUDJHQDBBAK-LDWIPMOCSA-N 0 0 180.203 1.077 10 0 ADAERN Cc1n[nH]c2ccc([C@@H](C)CO)cc12 257958149 573172968 /nfs/dbraw/zinc/17/29/68/573172968.db2.gz BNBIJJAMSACUKZ-ZETCQYMHSA-N 0 0 190.246 1.967 10 0 ADAERN CCO[C@H]1C[C@@H](O)c2ccccc2O1 238304334 573173022 /nfs/dbraw/zinc/17/30/22/573173022.db2.gz IVPQWZMDGVNLHA-MWLCHTKSSA-N 0 0 194.230 1.865 10 0 ADAERN C/C=C\CCNC(=O)[C@@H](O)C(C)C 308291678 573173034 /nfs/dbraw/zinc/17/30/34/573173034.db2.gz HMQWKPKJWWUHIZ-WBSSQXGSSA-N 0 0 185.267 1.086 10 0 ADAERN CCC[C@H](O)c1ccn(CCCO)c1 85841271 573173037 /nfs/dbraw/zinc/17/30/37/573173037.db2.gz VGUFDEPXIFVTAB-NSHDSACASA-N 0 0 197.278 1.704 10 0 ADAERN CCO[C@H]1C[C@@H]2CCCC(=O)[C@@H]21 238304395 573173045 /nfs/dbraw/zinc/17/30/45/573173045.db2.gz FQZCDSLWCZXUGB-UJNFCWOMSA-N 0 0 168.236 1.781 10 0 ADAERN CCOc1cccc(/C=C/CON)c1 258566940 573173067 /nfs/dbraw/zinc/17/30/67/573173067.db2.gz KUFBNCFGPHAYCW-GQCTYLIASA-N 0 0 193.246 1.989 10 0 ADAERN Cc1cnccc1[C@](C)([NH3+])CC(=O)[O-] 104678272 573173073 /nfs/dbraw/zinc/17/30/73/573173073.db2.gz KJILCYFWPIAWAG-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN CC(=O)[C@@H](N)c1cc(O)ccc1F 104676981 573173772 /nfs/dbraw/zinc/17/37/72/573173772.db2.gz KXIVBDYSSZLMKW-SECBINFHSA-N 0 0 183.182 1.120 10 0 ADAERN COc1cc(C)c(F)cc1CON 257958215 573173099 /nfs/dbraw/zinc/17/30/99/573173099.db2.gz BPJKHDHJBFTEDX-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN CO[C@H](C)CCNC(=O)OC(C)C 308291531 573173135 /nfs/dbraw/zinc/17/31/35/573173135.db2.gz JKAZTKGWVNIHMN-MRVPVSSYSA-N 0 0 189.255 1.546 10 0 ADAERN C[C@H]1COC[C@@H]1Nc1cccnc1F 687983079 573173138 /nfs/dbraw/zinc/17/31/38/573173138.db2.gz ZWKJKWWHSNRENR-CBAPKCEASA-N 0 0 196.225 1.668 10 0 ADAERN CCn1cncc1C[C@H]1COC(=O)C1 238304569 573173147 /nfs/dbraw/zinc/17/31/47/573173147.db2.gz AXRLOUHDQPPLMA-MRVPVSSYSA-N 0 0 194.234 1.009 10 0 ADAERN CC[C@]1(C)CC[C@](C)(CO)O1 238304340 573173191 /nfs/dbraw/zinc/17/31/91/573173191.db2.gz JUZYDKLPNWEMOY-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CCc1cccnc1[C@@H]1COCCN1 104675516 573173204 /nfs/dbraw/zinc/17/32/04/573173204.db2.gz JTMMBMNPGLEHBP-JTQLQIEISA-N 0 0 192.262 1.305 10 0 ADAERN Cc1ccc(F)c(CC2(O)CC2)c1O 257958182 573173205 /nfs/dbraw/zinc/17/32/05/573173205.db2.gz BOHVPFTXUGBVKE-UHFFFAOYSA-N 0 0 196.221 1.907 10 0 ADAERN C1=Cc2c[nH]nc2CC1 104675957 573173214 /nfs/dbraw/zinc/17/32/14/573173214.db2.gz WGUGJYQCSHSHMA-UHFFFAOYSA-N 0 0 120.155 1.369 10 0 ADAERN CCn1cnc2c(F)nc(NC)nc21 238303829 573173233 /nfs/dbraw/zinc/17/32/33/573173233.db2.gz ZBEMAEZBMGIDFM-UHFFFAOYSA-N 0 0 195.201 1.027 10 0 ADAERN COC(=O)N(C(C)C)[C@H]1CCOC1 308291848 573173234 /nfs/dbraw/zinc/17/32/34/573173234.db2.gz KGJSTLCCYRLTOF-QMMMGPOBSA-N 0 0 187.239 1.252 10 0 ADAERN CO[C@H](C)CCn1cccc1C=O 308290581 573173777 /nfs/dbraw/zinc/17/37/77/573173777.db2.gz HKHPBKFFLNROIH-SECBINFHSA-N 0 0 181.235 1.726 10 0 ADAERN COCn1ccc([C@@H](O)C(C)C)c1 85843202 573173270 /nfs/dbraw/zinc/17/32/70/573173270.db2.gz VLMWJILKCCQPHW-JTQLQIEISA-N 0 0 183.251 1.781 10 0 ADAERN C[C@@H](C[C@@H]1CCSC1)ON 259352883 573173283 /nfs/dbraw/zinc/17/32/83/573173283.db2.gz FJNBZGTVGIFJFV-BQBZGAKWSA-N 0 0 161.270 1.408 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])[C@H](C)C(C)C 308291778 573173284 /nfs/dbraw/zinc/17/32/84/573173284.db2.gz JVTZUYRDKVMSKX-RKDXNWHRSA-N 0 0 187.283 1.730 10 0 ADAERN CC[C@]1(C)CC[C@@H]([C@@H](C)O)O1 238304132 573173290 /nfs/dbraw/zinc/17/32/90/573173290.db2.gz WIUXZQDWNNZLJK-HRDYMLBCSA-N 0 0 158.241 1.715 10 0 ADAERN CC[C@@](O)(C(C)=O)C(C)(C)C 238303819 573173297 /nfs/dbraw/zinc/17/32/97/573173297.db2.gz LSBAMADYZNYQQI-SECBINFHSA-N 0 0 158.241 1.763 10 0 ADAERN CC(C)[C@@H](C)[C@@H]([NH3+])C(C)(C)C(=O)[O-] 308290533 573173298 /nfs/dbraw/zinc/17/32/98/573173298.db2.gz HDVJZSGPEWGNPG-HTQZYQBOSA-N 0 0 187.283 1.717 10 0 ADAERN CC(C)[C@@H](O)c1ccn(C[C@H](C)O)c1 85843351 573173307 /nfs/dbraw/zinc/17/33/07/573173307.db2.gz YRMNLMDAPWXDAT-GXSJLCMTSA-N 0 0 197.278 1.558 10 0 ADAERN NC(=[NH2+])c1ccc2ccccc2c1[O-] 115258463 573173313 /nfs/dbraw/zinc/17/33/13/573173313.db2.gz XNONHUBNQKPICE-UHFFFAOYSA-N 0 0 186.214 1.829 10 0 ADAERN C/C=C/COC(=O)C[C@@H]1CCCO1 308290509 573173315 /nfs/dbraw/zinc/17/33/15/573173315.db2.gz GURGCGXRRHUNGH-HPOULIHZSA-N 0 0 184.235 1.675 10 0 ADAERN COc1cc(C)c(F)cc1CCO 257958165 573173779 /nfs/dbraw/zinc/17/37/79/573173779.db2.gz BNRDPOKMXVXSEJ-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN OCCC[C@H]1CCC[C@H](CO)C1 115259813 573173341 /nfs/dbraw/zinc/17/33/41/573173341.db2.gz JVNYYWPTRACRQL-ZJUUUORDSA-N 0 0 172.268 1.558 10 0 ADAERN C[C@@H](CO)c1ccc(F)c(O)c1F 257958209 573173354 /nfs/dbraw/zinc/17/33/54/573173354.db2.gz BPGFPFBYRMRJPS-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN CCc1cccc2c1[C@H](O)[C@H](O)C=C2 238304700 573173393 /nfs/dbraw/zinc/17/33/93/573173393.db2.gz MSQGJHSHWWOXEH-ZYHUDNBSSA-N 0 0 190.242 1.670 10 0 ADAERN CCc1c(C(=O)[O-])cccc1[C@H](C)[NH3+] 104677403 573173409 /nfs/dbraw/zinc/17/34/09/573173409.db2.gz XFYOJXKLRFIVFM-ZETCQYMHSA-N 0 0 193.246 1.967 10 0 ADAERN COCc1ccc(F)c(CNO)c1 257958204 573173420 /nfs/dbraw/zinc/17/34/20/573173420.db2.gz BPCXFKCNVOWZEU-UHFFFAOYSA-N 0 0 185.198 1.451 10 0 ADAERN c1ccc(Cc2ncon2)cc1 115257048 573173450 /nfs/dbraw/zinc/17/34/50/573173450.db2.gz XTNZQPLGXULUSJ-UHFFFAOYSA-N 0 0 160.176 1.660 10 0 ADAERN COc1cc([C@H](C)O)c(O)cc1C 257958129 573173452 /nfs/dbraw/zinc/17/34/52/573173452.db2.gz BMADRDKNOAVGIR-ZETCQYMHSA-N 0 0 182.219 1.763 10 0 ADAERN CC[C@@H](C)C[N@@H+](/C=C/C(=O)[O-])CC 125794981 573173460 /nfs/dbraw/zinc/17/34/60/573173460.db2.gz RIOXREZVKROCSU-XCODYQFDSA-N 0 0 185.267 1.953 10 0 ADAERN Cc1ncccc1[C@@](C)([NH3+])CC(=O)[O-] 104678954 573173463 /nfs/dbraw/zinc/17/34/63/573173463.db2.gz KNUWYYIJBDXWSK-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN O=C([O-])[C@]1(F)CC[N@@H+]2CCC[C@H]2C1 257957679 573173474 /nfs/dbraw/zinc/17/34/74/573173474.db2.gz XCINZJKXTCBKSG-CBAPKCEASA-N 0 0 187.214 1.038 10 0 ADAERN O=C([O-])c1ccc([C@@H]2CC[NH2+]2)cc1F 104676680 573173475 /nfs/dbraw/zinc/17/34/75/573173475.db2.gz JDLFFARHHHPIBY-VIFPVBQESA-N 0 0 195.193 1.558 10 0 ADAERN CCc1cccc2c1COCC2=O 238304510 573173483 /nfs/dbraw/zinc/17/34/83/573173483.db2.gz NMSVRQQNSKQHJR-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN COc1cc(C)cc(C2(O)CC2)c1O 257958152 573173503 /nfs/dbraw/zinc/17/35/03/573173503.db2.gz BNEBCNATBCSXSS-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CC[C@H](C)C[N@@H+](/C=C/C(=O)[O-])CC 125795205 573173804 /nfs/dbraw/zinc/17/38/04/573173804.db2.gz RIOXREZVKROCSU-UCUJLANTSA-N 0 0 185.267 1.953 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1nc(CO)no1 717223459 573173535 /nfs/dbraw/zinc/17/35/35/573173535.db2.gz AVQNVBUAOHYLJR-ULAWRXDQSA-N 0 0 194.234 1.321 10 0 ADAERN CC[C@]1(C)CCC[C@@H](O)O1 238303904 573173688 /nfs/dbraw/zinc/17/36/88/573173688.db2.gz PEUYXOKWUJBCAU-JGVFFNPUSA-N 0 0 144.214 1.674 10 0 ADAERN CC[C@@H](C)[C@H](O)Cn1cc(OC)cn1 308509034 573173692 /nfs/dbraw/zinc/17/36/92/573173692.db2.gz BGLITFWXXDGKLF-PSASIEDQSA-N 0 0 198.266 1.299 10 0 ADAERN C[C@]1(Cc2ccco2)CNC(=O)O1 258566675 573173791 /nfs/dbraw/zinc/17/37/91/573173791.db2.gz UHYJIHBOEWBXCH-VIFPVBQESA-N 0 0 181.191 1.321 10 0 ADAERN CCC(=O)N(C)C1CCC(=O)CC1 85871383 573173793 /nfs/dbraw/zinc/17/37/93/573173793.db2.gz QBHTZNYFXPMECY-UHFFFAOYSA-N 0 0 183.251 1.367 10 0 ADAERN CCC(=O)O[C@@H]1C[C@H](OC)C1(C)C 308291060 573173717 /nfs/dbraw/zinc/17/37/17/573173717.db2.gz HEAKSJZDCNLCJP-JGVFFNPUSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@@H](C[C@H]1CCSC1)ON 259352890 573173719 /nfs/dbraw/zinc/17/37/19/573173719.db2.gz FJNBZGTVGIFJFV-NKWVEPMBSA-N 0 0 161.270 1.408 10 0 ADAERN O=C([O-])c1ccc([C@H]2CC[NH2+]2)cc1F 104676686 573173724 /nfs/dbraw/zinc/17/37/24/573173724.db2.gz JDLFFARHHHPIBY-SECBINFHSA-N 0 0 195.193 1.558 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1nc(CO)no1 717223457 573173750 /nfs/dbraw/zinc/17/37/50/573173750.db2.gz AVQNVBUAOHYLJR-KVPKETBZSA-N 0 0 194.234 1.321 10 0 ADAERN CC[C@@H](C)[C@@H](O)C(=O)OCCCF 308291051 573173754 /nfs/dbraw/zinc/17/37/54/573173754.db2.gz HDVGWPJZGIOJTD-HTQZYQBOSA-N 0 0 192.230 1.296 10 0 ADAERN CC[C@H]([NH3+])c1nccc(C)c1C(=O)[O-] 104678894 573173757 /nfs/dbraw/zinc/17/37/57/573173757.db2.gz XMCINZXSWQHEOS-ZETCQYMHSA-N 0 0 194.234 1.498 10 0 ADAERN O=C([O-])[C@@]1(F)CC[N@@H+]2CCC[C@@H]2C1 257957686 573173759 /nfs/dbraw/zinc/17/37/59/573173759.db2.gz XCINZJKXTCBKSG-VXNVDRBHSA-N 0 0 187.214 1.038 10 0 ADAERN CC(C)C[C@@H]([NH3+])C(C)(C)CC(=O)[O-] 259354255 573173764 /nfs/dbraw/zinc/17/37/64/573173764.db2.gz MANNJEMHSUBVPO-MRVPVSSYSA-N 0 0 187.283 1.861 10 0 ADAERN C/C=C\COC(=O)C[C@@H]1CCCO1 308290511 573173768 /nfs/dbraw/zinc/17/37/68/573173768.db2.gz GURGCGXRRHUNGH-XADBCAIWSA-N 0 0 184.235 1.675 10 0 ADAERN CC(C)[C@H](O)c1ccn(C)c1 85842949 573173798 /nfs/dbraw/zinc/17/37/98/573173798.db2.gz HNUAFHPVYUDXSM-VIFPVBQESA-N 0 0 153.225 1.715 10 0 ADAERN CC[C@]1(C)CC[C@@](C)(CO)O1 238304160 573173834 /nfs/dbraw/zinc/17/38/34/573173834.db2.gz JUZYDKLPNWEMOY-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@H](O)C(F)=C(F)F 238304586 573173848 /nfs/dbraw/zinc/17/38/48/573173848.db2.gz GKOMFNVLYCIAJS-VKHMYHEASA-N 0 0 140.104 1.835 10 0 ADAERN CN(Cc1cccc(O)c1)N=O 238303768 573173927 /nfs/dbraw/zinc/17/39/27/573173927.db2.gz SSVAKCLQBHQZCX-UHFFFAOYSA-N 0 0 166.180 1.505 10 0 ADAERN CC[C@@H](O)c1ccn(C)c1 85838669 573173928 /nfs/dbraw/zinc/17/39/28/573173928.db2.gz IQTYTZGJBHAHAX-MRVPVSSYSA-N 0 0 139.198 1.469 10 0 ADAERN CC(C)c1nc2n(n1)CCC[C@@H]2CO 258566532 573173940 /nfs/dbraw/zinc/17/39/40/573173940.db2.gz UGWCBMSQTLKLRT-MRVPVSSYSA-N 0 0 195.266 1.271 10 0 ADAERN CC[C@H]1CCC[C@@H](O)C1=O 238304776 573174004 /nfs/dbraw/zinc/17/40/04/573174004.db2.gz CRNMPAGGYDOEFF-NKWVEPMBSA-N 0 0 142.198 1.127 10 0 ADAERN C=C=C(COC)[C@@H](O)CC 238304453 573174022 /nfs/dbraw/zinc/17/40/22/573174022.db2.gz MZUPWPVBSMIKJZ-QMMMGPOBSA-N 0 0 142.198 1.115 10 0 ADAERN Cc1ccc(C[C@@H](C)O)cc1N 259355707 573174029 /nfs/dbraw/zinc/17/40/29/573174029.db2.gz GOIJLVPMXVMDOP-MRVPVSSYSA-N 0 0 165.236 1.501 10 0 ADAERN CN1C(=O)[C@@H]2CCC[C@H]1C2 238303925 573174032 /nfs/dbraw/zinc/17/40/32/573174032.db2.gz HERJPLYJVGTFDX-RQJHMYQMSA-N 0 0 139.198 1.017 10 0 ADAERN CCC(=O)O[C@H]1C[C@H](OC)C1(C)C 308291062 573174035 /nfs/dbraw/zinc/17/40/35/573174035.db2.gz HEAKSJZDCNLCJP-YUMQZZPRSA-N 0 0 186.251 1.753 10 0 ADAERN COc1ccc(C)c([C@H](N)C(C)=O)c1 104677355 573174047 /nfs/dbraw/zinc/17/40/47/573174047.db2.gz DABYNLVUFLKTDQ-LLVKDONJSA-N 0 0 193.246 1.592 10 0 ADAERN Cn1ccc([C@H](O)C2CC2)c1 85844650 573174049 /nfs/dbraw/zinc/17/40/49/573174049.db2.gz FGBXTYDXPMGTRN-SECBINFHSA-N 0 0 151.209 1.469 10 0 ADAERN O=C([O-])c1cnccc1[C@H]1CCC[NH2+]1 104677170 573174060 /nfs/dbraw/zinc/17/40/60/573174060.db2.gz XYKSMEXZALXSSW-SECBINFHSA-N 0 0 192.218 1.204 10 0 ADAERN C1=CCC2=c3ccsc3=CC2=C1 104675980 573174109 /nfs/dbraw/zinc/17/41/09/573174109.db2.gz HPUMOISANGTTIF-UHFFFAOYSA-N 0 0 172.252 1.579 10 0 ADAERN CC[C@H](C)COC(=O)C1CC(=O)C1 308290982 573174118 /nfs/dbraw/zinc/17/41/18/573174118.db2.gz GZSXFOSUKYIFRJ-ZETCQYMHSA-N 0 0 184.235 1.555 10 0 ADAERN [NH3+][C@H](c1ccnc(C(=O)[O-])c1)C1CC1 104677180 573174256 /nfs/dbraw/zinc/17/42/56/573174256.db2.gz XUNYPOMFQKKHCA-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN C/C=C/CN(C)C[C@H](O)C(F)(F)F 308290990 573174131 /nfs/dbraw/zinc/17/41/31/573174131.db2.gz GZUVUGXZNVVVCY-SDLBARTOSA-N 0 0 197.200 1.418 10 0 ADAERN CC(C)C[C@H]([NH3+])C(C)(C)CC(=O)[O-] 259354259 573174207 /nfs/dbraw/zinc/17/42/07/573174207.db2.gz MANNJEMHSUBVPO-QMMMGPOBSA-N 0 0 187.283 1.861 10 0 ADAERN CC[C@]1(C)CCC[C@H](O)O1 238303944 573174220 /nfs/dbraw/zinc/17/42/20/573174220.db2.gz PEUYXOKWUJBCAU-HTQZYQBOSA-N 0 0 144.214 1.674 10 0 ADAERN CC[C@H](C)[C@@H](O)C(=O)OCCCF 308291052 573174222 /nfs/dbraw/zinc/17/42/22/573174222.db2.gz HDVGWPJZGIOJTD-JGVFFNPUSA-N 0 0 192.230 1.296 10 0 ADAERN C/C=C\C(=O)NCc1cccc(C)n1 200690875 573174240 /nfs/dbraw/zinc/17/42/40/573174240.db2.gz IHXVSHHOEQLXOP-HYXAFXHYSA-N 0 0 190.246 1.582 10 0 ADAERN CCC(C)(C)NC(=O)CC1COC1 308292079 573174243 /nfs/dbraw/zinc/17/42/43/573174243.db2.gz HTIMFUBMISFWAM-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN CC[C@H](C)[C@@H](NCCF)C(=O)OC 308290730 573174251 /nfs/dbraw/zinc/17/42/51/573174251.db2.gz GWGLHKOWQYRQED-JGVFFNPUSA-N 0 0 191.246 1.133 10 0 ADAERN Nc1cccc(F)c1N1CC=CC1 123768930 573174338 /nfs/dbraw/zinc/17/43/38/573174338.db2.gz ITYPBRYGLYKZLK-UHFFFAOYSA-N 0 0 178.210 1.784 10 0 ADAERN CC[C@]1(C)CCO[C@H]1O 238303986 573174280 /nfs/dbraw/zinc/17/42/80/573174280.db2.gz GUFKEPYQUGKZCL-RNFRBKRXSA-N 0 0 130.187 1.141 10 0 ADAERN CC[C@H](O)C1(C)SCCS1 238304956 573174292 /nfs/dbraw/zinc/17/42/92/573174292.db2.gz YNAZYGRPJBTUIW-LURJTMIESA-N 0 0 178.322 1.954 10 0 ADAERN Cc1cc(N2CC[C@H](F)C2)nc(F)n1 689928903 573174311 /nfs/dbraw/zinc/17/43/11/573174311.db2.gz IYRJXFIBEORAHM-ZETCQYMHSA-N 0 0 199.204 1.472 10 0 ADAERN CC(C)[C@H](C)[C@H]([NH3+])C(C)(C)C(=O)[O-] 308290536 573174340 /nfs/dbraw/zinc/17/43/40/573174340.db2.gz HDVJZSGPEWGNPG-YUMQZZPRSA-N 0 0 187.283 1.717 10 0 ADAERN COC(=O)N(C(C)C)[C@@H]1CCOC1 308291847 573174348 /nfs/dbraw/zinc/17/43/48/573174348.db2.gz KGJSTLCCYRLTOF-MRVPVSSYSA-N 0 0 187.239 1.252 10 0 ADAERN CCC1(CCC(=O)OC)COC1 258568353 573174366 /nfs/dbraw/zinc/17/43/66/573174366.db2.gz MXFDLAKTDJMHDT-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 715256119 573174401 /nfs/dbraw/zinc/17/44/01/573174401.db2.gz MURBSNVPWSZLJH-KATARQTJSA-N 0 0 197.278 1.485 10 0 ADAERN Cc1ccnc([C@@](C)([NH3+])CC(=O)[O-])c1 104675728 573174408 /nfs/dbraw/zinc/17/44/08/573174408.db2.gz CBRGRUAUNCUQRV-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN CC(=O)Cc1cnccc1Cl 259353583 573174411 /nfs/dbraw/zinc/17/44/11/573174411.db2.gz PPVALUUDIKVVHC-UHFFFAOYSA-N 0 0 169.611 1.867 10 0 ADAERN C[C@H](O)Cc1c(O)ccc2c1CCC2 257958178 573174416 /nfs/dbraw/zinc/17/44/16/573174416.db2.gz BOFZDXGHPVYXDA-QMMMGPOBSA-N 0 0 192.258 1.804 10 0 ADAERN CCSc1cccc(CO)c1O 238304178 573174422 /nfs/dbraw/zinc/17/44/22/573174422.db2.gz OXCPFZBYJJYZLO-UHFFFAOYSA-N 0 0 184.260 1.997 10 0 ADAERN CCCOc1cc(NCCF)ncn1 308508958 573174428 /nfs/dbraw/zinc/17/44/28/573174428.db2.gz BCLAYEJLIYZRMS-UHFFFAOYSA-N 0 0 199.229 1.647 10 0 ADAERN CCc1nc(CC(C)=O)[nH]c1C 258568619 573174431 /nfs/dbraw/zinc/17/44/31/573174431.db2.gz NCYKRWPVKYRKOY-UHFFFAOYSA-N 0 0 166.224 1.412 10 0 ADAERN OCc1cnoc1[C@H]1CCCCO1 259355794 573174469 /nfs/dbraw/zinc/17/44/69/573174469.db2.gz UOLHSULVJHVTHD-MRVPVSSYSA-N 0 0 183.207 1.409 10 0 ADAERN CC[C@@H](C)COC(=O)C1CC(=O)C1 308290981 573174476 /nfs/dbraw/zinc/17/44/76/573174476.db2.gz GZSXFOSUKYIFRJ-SSDOTTSWSA-N 0 0 184.235 1.555 10 0 ADAERN O=C1CC[C@H](CO)[C@@H](C2CCCC2)N1 215080002 573174480 /nfs/dbraw/zinc/17/44/80/573174480.db2.gz ZVJMOOJWFSJJFP-MWLCHTKSSA-N 0 0 197.278 1.064 10 0 ADAERN CCc1cc(O)ccc1[C@H](N)C(C)=O 104678718 573174488 /nfs/dbraw/zinc/17/44/88/573174488.db2.gz HXNRGOPBWVJJQO-LLVKDONJSA-N 0 0 193.246 1.543 10 0 ADAERN CC[C@H]([NH3+])c1ccc(N)c(C(=O)[O-])c1 104678917 573174498 /nfs/dbraw/zinc/17/44/98/573174498.db2.gz LFGGDPABEIVNCY-QMMMGPOBSA-N 0 0 194.234 1.377 10 0 ADAERN OCc1cnn(-c2cccc(F)c2)c1 104677164 573174501 /nfs/dbraw/zinc/17/45/01/573174501.db2.gz YTKGKWAHUQIXMV-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN CCOc1cccc2c1N[C@H](N)S2 238303816 573174506 /nfs/dbraw/zinc/17/45/06/573174506.db2.gz QDHOSIKKOYDBAL-VIFPVBQESA-N 0 0 196.275 1.845 10 0 ADAERN CCC[C@](NC)(C(=O)OCC)C1CC1 308508207 573174510 /nfs/dbraw/zinc/17/45/10/573174510.db2.gz AUHJMDSPOJUPAW-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN CCc1ccc(C=O)c([N+](=O)[O-])c1 115294366 573174513 /nfs/dbraw/zinc/17/45/13/573174513.db2.gz MXBYVFHYFMMZNO-UHFFFAOYSA-N 0 0 179.175 1.970 10 0 ADAERN COC[C@@H](OC)c1cccc(C=O)c1 257958170 573174520 /nfs/dbraw/zinc/17/45/20/573174520.db2.gz GJWFWFRPMUMDRT-LLVKDONJSA-N 0 0 194.230 1.833 10 0 ADAERN C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 715256128 573174524 /nfs/dbraw/zinc/17/45/24/573174524.db2.gz MURBSNVPWSZLJH-RGOKHQFPSA-N 0 0 197.278 1.485 10 0 ADAERN CN[C@@H](NN)c1ccc(C(C)C)cc1 259355237 573174563 /nfs/dbraw/zinc/17/45/63/573174563.db2.gz UBRVPVLLSXRGNU-NSHDSACASA-N 0 0 193.294 1.491 10 0 ADAERN CCc1cccc2c1[C@H](O)[C@@H](O)C=C2 238304725 573174572 /nfs/dbraw/zinc/17/45/72/573174572.db2.gz MSQGJHSHWWOXEH-CMPLNLGQSA-N 0 0 190.242 1.670 10 0 ADAERN C[C@@]1(Cc2ccco2)CNC(=O)O1 258566673 573174576 /nfs/dbraw/zinc/17/45/76/573174576.db2.gz UHYJIHBOEWBXCH-SECBINFHSA-N 0 0 181.191 1.321 10 0 ADAERN Cc1ncccc1[C@](C)([NH3+])CC(=O)[O-] 104677522 573174592 /nfs/dbraw/zinc/17/45/92/573174592.db2.gz KNUWYYIJBDXWSK-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN CC[C@]1(C)CC[C@H]([C@@H](C)O)O1 238304318 573174595 /nfs/dbraw/zinc/17/45/95/573174595.db2.gz WIUXZQDWNNZLJK-IWSPIJDZSA-N 0 0 158.241 1.715 10 0 ADAERN CCc1cccc2c1CCOC2=O 238304592 573174603 /nfs/dbraw/zinc/17/46/03/573174603.db2.gz UYZGERHCHVWWAG-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN CC(C)(C)CCN1NCCC1=O 258567944 573174612 /nfs/dbraw/zinc/17/46/12/573174612.db2.gz RIZLUEGMRCWABJ-UHFFFAOYSA-N 0 0 170.256 1.160 10 0 ADAERN CCc1ccc(O)cc1[C@@H](N)C(C)=O 104678729 573174614 /nfs/dbraw/zinc/17/46/14/573174614.db2.gz KRVIXBIPEBIIHJ-NSHDSACASA-N 0 0 193.246 1.543 10 0 ADAERN C[C@H](O)c1cccc(CC2(O)CC2)c1 259355624 573174627 /nfs/dbraw/zinc/17/46/27/573174627.db2.gz GMKAWCUDAQYOBP-VIFPVBQESA-N 0 0 192.258 1.807 10 0 ADAERN O=C([O-])c1ccc([C@H]2CC[NH2+]2)c(F)c1 104676675 573174640 /nfs/dbraw/zinc/17/46/40/573174640.db2.gz XZWSSYUHMBKXLG-SECBINFHSA-N 0 0 195.193 1.558 10 0 ADAERN CCSCC[NH2+]Cc1nccn1C 128958684 573174683 /nfs/dbraw/zinc/17/46/83/573174683.db2.gz PBRSMAAXTWZOGY-UHFFFAOYSA-N 0 0 199.323 1.263 10 0 ADAERN CC[C@H](NN)C1CCC(OC)CC1 686351741 573174691 /nfs/dbraw/zinc/17/46/91/573174691.db2.gz SZYYIRPLQOQZJM-RTBKNWGFSA-N 0 0 186.299 1.434 10 0 ADAERN COc1cc(C(C)(C)O)ccc1O 198002336 573174694 /nfs/dbraw/zinc/17/46/94/573174694.db2.gz FKVFRDXWGCQEGA-UHFFFAOYSA-N 0 0 182.219 1.628 10 0 ADAERN CCc1cc(=O)n2ccc(C)cc2n1 238303994 573174718 /nfs/dbraw/zinc/17/47/18/573174718.db2.gz YIGDTYNSUHHZDX-UHFFFAOYSA-N 0 0 188.230 1.565 10 0 ADAERN CC[C@H](O)c1ccn(CC)c1 85838644 573174727 /nfs/dbraw/zinc/17/47/27/573174727.db2.gz SCHPDICEFYYTLY-VIFPVBQESA-N 0 0 153.225 1.951 10 0 ADAERN CCO[C@H]1C[C@@H]2CC(=O)C[C@@H]2O1 238304368 573174731 /nfs/dbraw/zinc/17/47/31/573174731.db2.gz YPTUAVZNXCBFQM-CNUIFLNQSA-N 0 0 170.208 1.117 10 0 ADAERN CCc1ccncc1[C@@H]1COCCN1 104676275 573174743 /nfs/dbraw/zinc/17/47/43/573174743.db2.gz RMMSZBPTZBGLGO-NSHDSACASA-N 0 0 192.262 1.305 10 0 ADAERN CCc1ccc(C(=O)[O-])cc1[C@@H](C)[NH3+] 104676382 573174757 /nfs/dbraw/zinc/17/47/57/573174757.db2.gz PJTVAYYZTGIVOZ-SSDOTTSWSA-N 0 0 193.246 1.967 10 0 ADAERN CC[C@]1(C)C[C@@H](C)C(=O)CC1=O 238304937 573174761 /nfs/dbraw/zinc/17/47/61/573174761.db2.gz ZCGXUWJYKYEQGK-GMSGAONNSA-N 0 0 168.236 1.971 10 0 ADAERN CC(=O)[C@@H](N)c1ccc2c(c1)OCO2 104678082 573174771 /nfs/dbraw/zinc/17/47/71/573174771.db2.gz BDJKDVMEXCHGBC-SNVBAGLBSA-N 0 0 193.202 1.004 10 0 ADAERN O=Cc1ccccc1[C@H]1CCO1 258565583 573174772 /nfs/dbraw/zinc/17/47/72/573174772.db2.gz RDUJZEVSPVOPCJ-SNVBAGLBSA-N 0 0 162.188 1.961 10 0 ADAERN CC(C)[C@@H](CCCC(=O)[O-])[NH+](C)C 259354004 573174773 /nfs/dbraw/zinc/17/47/73/573174773.db2.gz FRZUWPBMEWCJJB-SECBINFHSA-N 0 0 187.283 1.828 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)c(O)c(C)c1 104678121 573174787 /nfs/dbraw/zinc/17/47/87/573174787.db2.gz YKYBLUKSOKWEIU-SNVBAGLBSA-N 0 0 193.246 1.598 10 0 ADAERN Cc1ccncc1[C@@](C)([NH3+])CC(=O)[O-] 104677546 573174833 /nfs/dbraw/zinc/17/48/33/573174833.db2.gz VAZXHQABQSFHOM-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN Cc1cc(N2CC[C@@H](F)C2)nc(F)n1 689928898 573174837 /nfs/dbraw/zinc/17/48/37/573174837.db2.gz IYRJXFIBEORAHM-SSDOTTSWSA-N 0 0 199.204 1.472 10 0 ADAERN O=C([O-])c1cc(F)ccc1[C@H]1CC[NH2+]1 104677626 573174848 /nfs/dbraw/zinc/17/48/48/573174848.db2.gz GKOVJZDLKHFTMN-SECBINFHSA-N 0 0 195.193 1.558 10 0 ADAERN CC[C@@H]([NH3+])c1nccc(C)c1C(=O)[O-] 104678895 573174851 /nfs/dbraw/zinc/17/48/51/573174851.db2.gz XMCINZXSWQHEOS-SSDOTTSWSA-N 0 0 194.234 1.498 10 0 ADAERN Nc1cc(CC2(O)CC2)ccc1O 259355750 573174852 /nfs/dbraw/zinc/17/48/52/573174852.db2.gz GOXBBEFYQHBQIS-UHFFFAOYSA-N 0 0 179.219 1.042 10 0 ADAERN CCn1ccc([C@@H](O)C2CC2)c1 85844627 573174872 /nfs/dbraw/zinc/17/48/72/573174872.db2.gz RXTCKZDYQDGOMJ-JTQLQIEISA-N 0 0 165.236 1.951 10 0 ADAERN CC(=O)[C@@H](N)c1cccc2c1OCO2 104677322 573174909 /nfs/dbraw/zinc/17/49/09/573174909.db2.gz ONFRKWMNXFYLGV-SECBINFHSA-N 0 0 193.202 1.004 10 0 ADAERN CC[C@H](O)C(=O)NC1CCCCC1 238303966 573174919 /nfs/dbraw/zinc/17/49/19/573174919.db2.gz HHQWWFIMZZYKGY-VIFPVBQESA-N 0 0 185.267 1.206 10 0 ADAERN Cc1cccc(NC(=O)N(C)C=O)c1 238304238 573174925 /nfs/dbraw/zinc/17/49/25/573174925.db2.gz BVTXPHPDFWRJBJ-UHFFFAOYSA-N 0 0 192.218 1.615 10 0 ADAERN CC(C)[C@H]([NH3+])c1ccncc1C(=O)[O-] 104677511 573174931 /nfs/dbraw/zinc/17/49/31/573174931.db2.gz MJKUWSSARLKPFY-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN CNOCCc1ccc(O)cc1 258565416 573174933 /nfs/dbraw/zinc/17/49/33/573174933.db2.gz RANYEXGYRZQPHX-UHFFFAOYSA-N 0 0 167.208 1.086 10 0 ADAERN CC(C)C(=O)N(C)C1CCC(=O)CC1 85871297 573174957 /nfs/dbraw/zinc/17/49/57/573174957.db2.gz BLAYUPLUAIVASR-UHFFFAOYSA-N 0 0 197.278 1.613 10 0 ADAERN C[C@H]1CC[C@]2(CC(=O)N2)C1 82762405 573174965 /nfs/dbraw/zinc/17/49/65/573174965.db2.gz IJOOYZFJYSRRIG-POYBYMJQSA-N 0 0 139.198 1.065 10 0 ADAERN C/C=C/CCNC(=O)c1cn[nH]c1 123765884 573174971 /nfs/dbraw/zinc/17/49/71/573174971.db2.gz GOIDYJQDEFSUAI-NSCUHMNNSA-N 0 0 179.223 1.106 10 0 ADAERN Cc1nc(C2(CO)CCC2)[nH]c1C 258566109 573174973 /nfs/dbraw/zinc/17/49/73/573174973.db2.gz MOCGWUCBYIHTAE-UHFFFAOYSA-N 0 0 180.251 1.441 10 0 ADAERN C[C@@]1(c2ccc(F)cc2F)CC(=O)N1 82762495 573174983 /nfs/dbraw/zinc/17/49/83/573174983.db2.gz RYWUGJOINGKQFI-JTQLQIEISA-N 0 0 197.184 1.700 10 0 ADAERN CCOc1ccccc(=O)c1N 238304680 573174994 /nfs/dbraw/zinc/17/49/94/573174994.db2.gz JIFPLMHMDRENMP-UHFFFAOYSA-N 0 0 165.192 1.028 10 0 ADAERN CNOC/C=C/c1ccc(OC)cc1 258567034 573175389 /nfs/dbraw/zinc/17/53/89/573175389.db2.gz KWCYATKOBPQIJL-ONEGZZNKSA-N 0 0 193.246 1.859 10 0 ADAERN CN(C)C(=O)NC1[C@@H]2CCCCC[C@@H]12 238306486 573175000 /nfs/dbraw/zinc/17/50/00/573175000.db2.gz HQOKEPUKYRZFAR-RKDXNWHRSA-N 0 0 196.294 1.836 10 0 ADAERN Cc1cncc(C(=O)c2ncc[nH]2)c1 115274743 573175001 /nfs/dbraw/zinc/17/50/01/573175001.db2.gz NVGDXBMSWPMHDX-UHFFFAOYSA-N 0 0 187.202 1.344 10 0 ADAERN CC[C@@]1(C)C[C@@]2(CCO1)CC(=O)N2 82762256 573175002 /nfs/dbraw/zinc/17/50/02/573175002.db2.gz YWCKSIJBZGAPOW-VHSXEESVSA-N 0 0 183.251 1.224 10 0 ADAERN CN(C(=O)C1CC1)C1CCC(=O)CC1 85871274 573175013 /nfs/dbraw/zinc/17/50/13/573175013.db2.gz FEISQVILQYJNLK-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN Cc1ccc(N)c([C@H]([NH3+])CC(=O)[O-])c1 104678263 573175017 /nfs/dbraw/zinc/17/50/17/573175017.db2.gz PFMGGGOIPVAHKW-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN CCNC(=O)N(C)C1CCC(=O)CC1 85871468 573175020 /nfs/dbraw/zinc/17/50/20/573175020.db2.gz DSPJJYLNNZCHCS-UHFFFAOYSA-N 0 0 198.266 1.159 10 0 ADAERN CC[C@H](O)C/C=C/OC 238304813 573175029 /nfs/dbraw/zinc/17/50/29/573175029.db2.gz OSICIPBXGXFOBM-KNIZRNDPSA-N 0 0 130.187 1.308 10 0 ADAERN Cc1ccc([C@]2(C)CC(=O)N2)cc1 82762186 573175034 /nfs/dbraw/zinc/17/50/34/573175034.db2.gz IVWYYDFTJJXLNI-NSHDSACASA-N 0 0 175.231 1.730 10 0 ADAERN CSC[C@H](O)C1=S=CN=C1C 642858836 573175043 /nfs/dbraw/zinc/17/50/43/573175043.db2.gz QXPUFYRZJBOTGD-LURJTMIESA-N 0 0 189.305 1.195 10 0 ADAERN CCCC[C@@]1(CC)CC(=O)N1 82762401 573175063 /nfs/dbraw/zinc/17/50/63/573175063.db2.gz LMOGMIFWUZKEHY-VIFPVBQESA-N 0 0 155.241 1.845 10 0 ADAERN Cc1ccc([C@H]([NH3+])CC(=O)[O-])cc1N 104678926 573175101 /nfs/dbraw/zinc/17/51/01/573175101.db2.gz CVYXGOPICUXTBI-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN CC[C@H]1CCCC[C@]12CC(=O)N2 82762262 573175105 /nfs/dbraw/zinc/17/51/05/573175105.db2.gz BBBXDAVSYAJROC-WPRPVWTQSA-N 0 0 167.252 1.845 10 0 ADAERN CC(C)CC[C@@]1(C)CC(=O)N1 82762419 573175116 /nfs/dbraw/zinc/17/51/16/573175116.db2.gz JRSWSHQDCCHXTG-VIFPVBQESA-N 0 0 155.241 1.701 10 0 ADAERN CCON(C)C(=O)NCCCCF 308294048 573175129 /nfs/dbraw/zinc/17/51/29/573175129.db2.gz GYRHHIIGXJXFQB-UHFFFAOYSA-N 0 0 192.234 1.329 10 0 ADAERN O=C([O-])c1ccc([C@@H]2CC[NH2+]2)c(F)c1 104676671 573175130 /nfs/dbraw/zinc/17/51/30/573175130.db2.gz XZWSSYUHMBKXLG-VIFPVBQESA-N 0 0 195.193 1.558 10 0 ADAERN CCc1c(O)cncc1C(C)=O 238304815 573177273 /nfs/dbraw/zinc/17/72/73/573177273.db2.gz HIXXNAIJPJDFKE-UHFFFAOYSA-N 0 0 165.192 1.552 10 0 ADAERN CCc1c(O)cccc1[C@@H](N)C(C)=O 104678119 573175143 /nfs/dbraw/zinc/17/51/43/573175143.db2.gz QLEMOYQYTIYMAD-NSHDSACASA-N 0 0 193.246 1.543 10 0 ADAERN CC[C@@]1(c2ccc(F)cc2)CC(=O)N1 82762276 573175158 /nfs/dbraw/zinc/17/51/58/573175158.db2.gz JEDIRIGZQZWGNT-NSHDSACASA-N 0 0 193.221 1.951 10 0 ADAERN Cc1cccc([C@H]([NH3+])CC(=O)[O-])c1N 104678931 573175159 /nfs/dbraw/zinc/17/51/59/573175159.db2.gz QUIDLLMTNPKIPE-MRVPVSSYSA-N 0 0 194.234 1.052 10 0 ADAERN CCO[C@H]1C[C@H]1C(=O)Cc1ccoc1 689928888 573175162 /nfs/dbraw/zinc/17/51/62/573175162.db2.gz ZVHWMWRISJTHQV-ONGXEEELSA-N 0 0 194.230 1.816 10 0 ADAERN CCOc1cccc([C@@H]2CC(=O)N2)c1 82762212 573175167 /nfs/dbraw/zinc/17/51/67/573175167.db2.gz RFSBNONNGYUQCQ-JTQLQIEISA-N 0 0 191.230 1.646 10 0 ADAERN Cc1ccncc1[C@](C)([NH3+])CC(=O)[O-] 104675723 573175168 /nfs/dbraw/zinc/17/51/68/573175168.db2.gz VAZXHQABQSFHOM-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN CCOc1cccc([C@H]2CC(=O)N2)c1 82762213 573175175 /nfs/dbraw/zinc/17/51/75/573175175.db2.gz RFSBNONNGYUQCQ-SNVBAGLBSA-N 0 0 191.230 1.646 10 0 ADAERN CC(=O)[C@H](N)c1cccc2c1OCO2 104677320 573175176 /nfs/dbraw/zinc/17/51/76/573175176.db2.gz ONFRKWMNXFYLGV-VIFPVBQESA-N 0 0 193.202 1.004 10 0 ADAERN CCc1c(O)cccc1[C@H](N)C(C)=O 104678117 573175225 /nfs/dbraw/zinc/17/52/25/573175225.db2.gz QLEMOYQYTIYMAD-LLVKDONJSA-N 0 0 193.246 1.543 10 0 ADAERN CSc1nnc(CCC(C)=O)o1 259353937 573175201 /nfs/dbraw/zinc/17/52/01/573175201.db2.gz YXYBHLUVTYKZAY-UHFFFAOYSA-N 0 0 186.236 1.313 10 0 ADAERN O=C([O-])c1cc([C@H]2CCC[NH2+]2)ccn1 104677198 573175202 /nfs/dbraw/zinc/17/52/02/573175202.db2.gz VFHNGAVMDXAJGY-MRVPVSSYSA-N 0 0 192.218 1.204 10 0 ADAERN CCc1cc(=O)n2cc(F)ccc2n1 238303977 573175223 /nfs/dbraw/zinc/17/52/23/573175223.db2.gz KSUKWRHWSCERAD-UHFFFAOYSA-N 0 0 192.193 1.396 10 0 ADAERN CC[C@@](O)(C(C)=O)C(F)(F)F 238303832 573175235 /nfs/dbraw/zinc/17/52/35/573175235.db2.gz VGKBGMWBIHMVBJ-RXMQYKEDSA-N 0 0 170.130 1.279 10 0 ADAERN CCn1cnc2cc(O)c(F)cc21 238304181 573175237 /nfs/dbraw/zinc/17/52/37/573175237.db2.gz HTVADRHNFYWRND-UHFFFAOYSA-N 0 0 180.182 1.901 10 0 ADAERN O=C([O-])c1cc([C@@H]2CCC[NH2+]2)ccn1 104677194 573175241 /nfs/dbraw/zinc/17/52/41/573175241.db2.gz VFHNGAVMDXAJGY-QMMMGPOBSA-N 0 0 192.218 1.204 10 0 ADAERN O=C1C[C@]2(CCCc3ccccc32)N1 82762388 573175246 /nfs/dbraw/zinc/17/52/46/573175246.db2.gz VDYRQDLIKIFBQQ-LBPRGKRZSA-N 0 0 187.242 1.738 10 0 ADAERN COCc1ccc(OC)c(CO)c1 257960336 573175266 /nfs/dbraw/zinc/17/52/66/573175266.db2.gz BRXNQKWVMQKFRN-UHFFFAOYSA-N 0 0 182.219 1.334 10 0 ADAERN Cn1cc2cc(C=O)cc(F)c2n1 259353034 573175270 /nfs/dbraw/zinc/17/52/70/573175270.db2.gz ICYLEURVCIMSDN-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN C[C@H](CO)c1cccc2ncn(C)c12 257960350 573175275 /nfs/dbraw/zinc/17/52/75/573175275.db2.gz BSPDRIVFUBIKDN-MRVPVSSYSA-N 0 0 190.246 1.669 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H](C)COCC 308293572 573175293 /nfs/dbraw/zinc/17/52/93/573175293.db2.gz GPCRHFQAMREIDT-RDOCRHDPSA-N 0 0 185.267 1.494 10 0 ADAERN O=C1CC2(Cc3ccccc3C2)N1 82762511 573175326 /nfs/dbraw/zinc/17/53/26/573175326.db2.gz OAZSXWGWEUDSDG-UHFFFAOYSA-N 0 0 173.215 1.044 10 0 ADAERN C[C@@H]1CC[C@]2(CC(=O)N2)C1 82762404 573175335 /nfs/dbraw/zinc/17/53/35/573175335.db2.gz IJOOYZFJYSRRIG-HTRCEHHLSA-N 0 0 139.198 1.065 10 0 ADAERN CCO[C@@H](C)C(=O)CCC(C)=O 238304887 573175337 /nfs/dbraw/zinc/17/53/37/573175337.db2.gz VHKXZUGRPAMBBE-QMMMGPOBSA-N 0 0 172.224 1.350 10 0 ADAERN C[C@H]1Cc2cccc(C3(O)CC3)c2O1 257960400 573175348 /nfs/dbraw/zinc/17/53/48/573175348.db2.gz BUZFASIVVQRJKE-QMMMGPOBSA-N 0 0 190.242 1.991 10 0 ADAERN CCCc1cnc(N)c(CO)c1 259602891 573175368 /nfs/dbraw/zinc/17/53/68/573175368.db2.gz DEBPBOGDGJNLCC-UHFFFAOYSA-N 0 0 166.224 1.109 10 0 ADAERN COc1ccc(C)c([C@@H](N)C(C)=O)c1 104677360 573175398 /nfs/dbraw/zinc/17/53/98/573175398.db2.gz DABYNLVUFLKTDQ-NSHDSACASA-N 0 0 193.246 1.592 10 0 ADAERN COCn1ccc(C(=O)C(C)C)c1 85842789 573175403 /nfs/dbraw/zinc/17/54/03/573175403.db2.gz LXYNVSRQMRGDQH-UHFFFAOYSA-N 0 0 181.235 1.931 10 0 ADAERN C[C@H]1CCCC[C@@]12CC(=O)N2 82762321 573175443 /nfs/dbraw/zinc/17/54/43/573175443.db2.gz BDAQYBPIRPQCOM-IONNQARKSA-N 0 0 153.225 1.455 10 0 ADAERN Nc1cc(CCCO)cc(F)c1F 259355671 573175444 /nfs/dbraw/zinc/17/54/44/573175444.db2.gz GNMRNYOHLYQAHF-UHFFFAOYSA-N 0 0 187.189 1.472 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@@](C)(O)CC 233340170 573175472 /nfs/dbraw/zinc/17/54/72/573175472.db2.gz HOMMPLHOHBTCJY-AEJSXWLSSA-N 0 0 174.284 1.945 10 0 ADAERN C[C@@H]1CCC[C@]([NH3+])(CC(=O)[O-])C1 82762602 573175477 /nfs/dbraw/zinc/17/54/77/573175477.db2.gz QJLVZFVNAFTUMM-VXNVDRBHSA-N 0 0 171.240 1.369 10 0 ADAERN C/C=C(/C)C(=O)N[C@H](C)COCC 308293570 573175482 /nfs/dbraw/zinc/17/54/82/573175482.db2.gz GPCRHFQAMREIDT-BZJXQOFCSA-N 0 0 185.267 1.494 10 0 ADAERN COc1cc(C)c(C)c(CCO)c1O 257960386 573175507 /nfs/dbraw/zinc/17/55/07/573175507.db2.gz BUAIDTVLSYRPOT-UHFFFAOYSA-N 0 0 196.246 1.552 10 0 ADAERN [NH3+][C@]1(CC(=O)[O-])CCC[C@@H](C2CC2)C1 82762638 573175529 /nfs/dbraw/zinc/17/55/29/573175529.db2.gz IALWNRITTVWXHC-MWLCHTKSSA-N 0 0 197.278 1.759 10 0 ADAERN CC[C@](C)(O)c1ccnn1CCOC 308510072 573175541 /nfs/dbraw/zinc/17/55/41/573175541.db2.gz BMAKJYWCCYBHFB-JTQLQIEISA-N 0 0 198.266 1.147 10 0 ADAERN CC(C)[C@H](C[NH3+])c1n[n-]c(=S)o1 259353066 573175556 /nfs/dbraw/zinc/17/55/56/573175556.db2.gz YUHOOYVZYWAAQH-YFKPBYRVSA-N 0 0 187.268 1.057 10 0 ADAERN C=C=C(CC)[C@@H](O)CC 238304427 573175575 /nfs/dbraw/zinc/17/55/75/573175575.db2.gz RHKRXWILSFIYNC-QMMMGPOBSA-N 0 0 126.199 1.879 10 0 ADAERN [NH3+][C@@]1(CC(=O)[O-])CCc2ccccc21 82762623 573175592 /nfs/dbraw/zinc/17/55/92/573175592.db2.gz WEYOVEHZSLKJDA-LLVKDONJSA-N 0 0 191.230 1.262 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1nc(CO)no1 717223460 573175593 /nfs/dbraw/zinc/17/55/93/573175593.db2.gz AVQNVBUAOHYLJR-VGRMVHKJSA-N 0 0 194.234 1.321 10 0 ADAERN C[C@@H](CC(F)F)Cn1ccc(N)n1 688756065 573175602 /nfs/dbraw/zinc/17/56/02/573175602.db2.gz NDGYZCNKROKZSS-LURJTMIESA-N 0 0 189.209 1.757 10 0 ADAERN CC[C@@H](O)c1ccn(CC(=O)OC)c1 85839204 573175606 /nfs/dbraw/zinc/17/56/06/573175606.db2.gz AJERTEFPTARLLP-SECBINFHSA-N 0 0 197.234 1.105 10 0 ADAERN CCn1cnc2nc(N)nc(Cl)c21 238304363 573175607 /nfs/dbraw/zinc/17/56/07/573175607.db2.gz QXSZBJKAJFDIPN-UHFFFAOYSA-N 0 0 197.629 1.082 10 0 ADAERN CC(=O)C1(c2ccc(C)cc2)COC1 258566265 573175608 /nfs/dbraw/zinc/17/56/08/573175608.db2.gz MTJWAMZVKHZJKX-UHFFFAOYSA-N 0 0 190.242 1.852 10 0 ADAERN C[C@]1(c2ccccc2F)CC(=O)N1 82762190 573175635 /nfs/dbraw/zinc/17/56/35/573175635.db2.gz VPILMKVBFVJYNH-SNVBAGLBSA-N 0 0 179.194 1.561 10 0 ADAERN CC[C@@H](C)NC(=O)CCC[C@H](C)O 308293103 573175664 /nfs/dbraw/zinc/17/56/64/573175664.db2.gz ILTGXMGKAVIGMB-BDAKNGLRSA-N 0 0 187.283 1.452 10 0 ADAERN CC1(C)NC[C@@H](F)C1(F)F 258565589 573175666 /nfs/dbraw/zinc/17/56/66/573175666.db2.gz RDZZZKVBKMTPRQ-SCSAIBSYSA-N 0 0 153.147 1.342 10 0 ADAERN CCN(CC)c1cnc(C(=O)OC)o1 259355530 573175638 /nfs/dbraw/zinc/17/56/38/573175638.db2.gz MYHYRSHAOCXAKR-UHFFFAOYSA-N 0 0 198.222 1.307 10 0 ADAERN O=c1cc(F)cc2o[nH]cc1-2 258565592 573175643 /nfs/dbraw/zinc/17/56/43/573175643.db2.gz RECARGMXDFPXGM-UHFFFAOYSA-N 0 0 153.112 1.673 10 0 ADAERN NNCNc1cccc(Cl)c1 258565306 573175657 /nfs/dbraw/zinc/17/56/57/573175657.db2.gz CFYCGTXCHPXKMY-UHFFFAOYSA-N 0 0 171.631 1.173 10 0 ADAERN CCn1cncc1C[C@@H]1COC(=O)C1 238304543 573175689 /nfs/dbraw/zinc/17/56/89/573175689.db2.gz AXRLOUHDQPPLMA-QMMMGPOBSA-N 0 0 194.234 1.009 10 0 ADAERN CCCc1cc(C(C)=O)n[nH]1 258567801 573175712 /nfs/dbraw/zinc/17/57/12/573175712.db2.gz RHPGGTKPPWMZFL-UHFFFAOYSA-N 0 0 152.197 1.565 10 0 ADAERN CC[C@H](C(=O)OC)C1(C)COC1 258566172 573175726 /nfs/dbraw/zinc/17/57/26/573175726.db2.gz MPXFNGJYQXOYKY-SSDOTTSWSA-N 0 0 172.224 1.222 10 0 ADAERN CC1CC([NH2+]C[C@@H]2C[C@H]2C(=O)[O-])C1 715255446 573175740 /nfs/dbraw/zinc/17/57/40/573175740.db2.gz KIZHGBJBSCEIBZ-GPCQJSLASA-N 0 0 183.251 1.095 10 0 ADAERN CCO[C@H]1C[C@H](O)c2ccccc2O1 238304886 573175741 /nfs/dbraw/zinc/17/57/41/573175741.db2.gz IVPQWZMDGVNLHA-GXSJLCMTSA-N 0 0 194.230 1.865 10 0 ADAERN C[C@@H]1CCC[C@@]2(CC(=O)N2)C1 82762424 573175750 /nfs/dbraw/zinc/17/57/50/573175750.db2.gz GPYSMWCBALAGII-APPZFPTMSA-N 0 0 153.225 1.455 10 0 ADAERN CN(C)C(=O)N[C@@H](C(F)F)C1CC1 308294117 573175771 /nfs/dbraw/zinc/17/57/71/573175771.db2.gz HAWQSFQXUJINFH-ZCFIWIBFSA-N 0 0 192.209 1.301 10 0 ADAERN Oc1ccc(COc2cn[nH]c2)cc1 258568305 573175788 /nfs/dbraw/zinc/17/57/88/573175788.db2.gz PIDRCOHAJFEHOZ-UHFFFAOYSA-N 0 0 190.202 1.694 10 0 ADAERN NOCc1cc(F)c(F)cc1O 257959865 573175790 /nfs/dbraw/zinc/17/57/90/573175790.db2.gz GQIAIBRTTVELCF-UHFFFAOYSA-N 0 0 175.134 1.061 10 0 ADAERN CC[C@H]1CCC[C@@H](CO)C1=O 238304572 573175798 /nfs/dbraw/zinc/17/57/98/573175798.db2.gz USUXDLBNRBHCMP-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H]1CC[C@@]2(CC(=O)N2)C1 82762407 573175809 /nfs/dbraw/zinc/17/58/09/573175809.db2.gz IJOOYZFJYSRRIG-XPUUQOCRSA-N 0 0 139.198 1.065 10 0 ADAERN CNC(=O)Sc1ccc(O)cc1O 238303985 573175818 /nfs/dbraw/zinc/17/58/18/573175818.db2.gz DSFSCQCIAJLNQM-UHFFFAOYSA-N 0 0 199.231 1.529 10 0 ADAERN CCOC[C@@H](C)OC(=O)C1(C)CC1 308292311 573175819 /nfs/dbraw/zinc/17/58/19/573175819.db2.gz FUIMGLGHIAUHQO-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN C/C=C(\C)C(=O)NCC1(C)COC1 308293768 573175824 /nfs/dbraw/zinc/17/58/24/573175824.db2.gz IYOFJLVPGWMEJF-XBXARRHUSA-N 0 0 183.251 1.105 10 0 ADAERN CC[C@H](O)C(=O)Nc1ccccc1C 238304153 573175828 /nfs/dbraw/zinc/17/58/28/573175828.db2.gz WGPXGJFMFBVLBW-JTQLQIEISA-N 0 0 193.246 1.704 10 0 ADAERN [NH3+][C@@]1(CC(=O)[O-])CCC[C@H](C2CC2)C1 82762635 573175830 /nfs/dbraw/zinc/17/58/30/573175830.db2.gz IALWNRITTVWXHC-ONGXEEELSA-N 0 0 197.278 1.759 10 0 ADAERN CC[C@H](O)c1ccn(C)c1 85838665 573175850 /nfs/dbraw/zinc/17/58/50/573175850.db2.gz IQTYTZGJBHAHAX-QMMMGPOBSA-N 0 0 139.198 1.469 10 0 ADAERN CC1CC([NH2+]C[C@H]2C[C@H]2C(=O)[O-])C1 715255448 573175854 /nfs/dbraw/zinc/17/58/54/573175854.db2.gz KIZHGBJBSCEIBZ-SRKTWWLUSA-N 0 0 183.251 1.095 10 0 ADAERN C[C@@H](O)[C@@H]1COc2cccc(O)c21 257958602 573175858 /nfs/dbraw/zinc/17/58/58/573175858.db2.gz FPMOEWSCKJSZRK-RQJHMYQMSA-N 0 0 180.203 1.249 10 0 ADAERN CN1C(=O)[C@H]2C=CC[C@@H]1CC2 238304397 573175876 /nfs/dbraw/zinc/17/58/76/573175876.db2.gz MWBATFZVXRSTGJ-JGVFFNPUSA-N 0 0 151.209 1.183 10 0 ADAERN CCOc1cccc2c1N[C@@H](N)S2 238303830 573175885 /nfs/dbraw/zinc/17/58/85/573175885.db2.gz QDHOSIKKOYDBAL-SECBINFHSA-N 0 0 196.275 1.845 10 0 ADAERN CC(C)C[C@@]1(C)CC(=O)N1 82762435 573175892 /nfs/dbraw/zinc/17/58/92/573175892.db2.gz PDIQMCGZKPKXCD-QMMMGPOBSA-N 0 0 141.214 1.311 10 0 ADAERN CNC(=S)[C@H]1CCCCC1=O 238304907 573175897 /nfs/dbraw/zinc/17/58/97/573175897.db2.gz DJPMFVCIAQQYAF-LURJTMIESA-N 0 0 171.265 1.293 10 0 ADAERN CC1CC([NH2+]C[C@H]2C[C@@H]2C(=O)[O-])C1 715255449 573175901 /nfs/dbraw/zinc/17/59/01/573175901.db2.gz KIZHGBJBSCEIBZ-VBSAPZBBSA-N 0 0 183.251 1.095 10 0 ADAERN CCc1cccc2c1[C@@H](O)[C@@H](O)C=C2 238304734 573175933 /nfs/dbraw/zinc/17/59/33/573175933.db2.gz MSQGJHSHWWOXEH-JQWIXIFHSA-N 0 0 190.242 1.670 10 0 ADAERN CCc1nc(CCC(=O)OC)[nH]c1C 258568446 573175939 /nfs/dbraw/zinc/17/59/39/573175939.db2.gz MZNNPSIRBQQZFL-UHFFFAOYSA-N 0 0 196.250 1.386 10 0 ADAERN COC(C)(C)C[C@]1(C)CC(=O)N1 82762311 573177293 /nfs/dbraw/zinc/17/72/93/573177293.db2.gz JFVQEJUJOGAKBU-VIFPVBQESA-N 0 0 171.240 1.080 10 0 ADAERN CCc1c(O)cncc1C=O 238304843 573175944 /nfs/dbraw/zinc/17/59/44/573175944.db2.gz XIYFCUFVINFHLH-UHFFFAOYSA-N 0 0 151.165 1.162 10 0 ADAERN Cc1cc(C[NH2+]C2CC2)c(C)o1 642828603 573175950 /nfs/dbraw/zinc/17/59/50/573175950.db2.gz FWLKOYAHXATNIT-UHFFFAOYSA-N 0 0 164.228 1.750 10 0 ADAERN CC(C)(C)C[C@@H]1CC(=O)N1 82762218 573175969 /nfs/dbraw/zinc/17/59/69/573175969.db2.gz KUWJPBDLWWYTHM-LURJTMIESA-N 0 0 141.214 1.311 10 0 ADAERN CC[C@H](O)C(Cl)(Cl)C(C)=O 238304479 573175989 /nfs/dbraw/zinc/17/59/89/573175989.db2.gz KQYVKXLXVKFZFY-YFKPBYRVSA-N 0 0 185.050 1.520 10 0 ADAERN COc1ccc([C@@H]2CC(=O)N2)cc1C 82762482 573176010 /nfs/dbraw/zinc/17/60/10/573176010.db2.gz UTDPMVHEVKDQJW-VIFPVBQESA-N 0 0 191.230 1.565 10 0 ADAERN C/C=C/C(=O)OCCOC(C)(C)C 308292694 573176013 /nfs/dbraw/zinc/17/60/13/573176013.db2.gz IELRXMALHYDDLK-AATRIKPKSA-N 0 0 186.251 1.921 10 0 ADAERN [NH3+][C@@]1(CC(=O)[O-])CCC[C@@H](C2CC2)C1 82762636 573176017 /nfs/dbraw/zinc/17/60/17/573176017.db2.gz IALWNRITTVWXHC-KOLCDFICSA-N 0 0 197.278 1.759 10 0 ADAERN C[C@]1(c2cc(F)ccc2F)CC(=O)N1 82762232 573176025 /nfs/dbraw/zinc/17/60/25/573176025.db2.gz OQFFLBKPZFUKIG-SNVBAGLBSA-N 0 0 197.184 1.700 10 0 ADAERN CC[C@@](O)(C(C)=O)c1ccco1 238303850 573176036 /nfs/dbraw/zinc/17/60/36/573176036.db2.gz FFGPCKQIMODYLM-SECBINFHSA-N 0 0 168.192 1.466 10 0 ADAERN Cc1ccc(CCON)c(O)c1F 257960343 573176050 /nfs/dbraw/zinc/17/60/50/573176050.db2.gz BSGVFWPSXWJCSX-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN C[C@@H](O)[C@H]1COc2cccc(O)c21 257958600 573176060 /nfs/dbraw/zinc/17/60/60/573176060.db2.gz FPMOEWSCKJSZRK-RNFRBKRXSA-N 0 0 180.203 1.249 10 0 ADAERN CC(C)C[C@]1(C)CC(=O)N1 82762434 573176078 /nfs/dbraw/zinc/17/60/78/573176078.db2.gz PDIQMCGZKPKXCD-MRVPVSSYSA-N 0 0 141.214 1.311 10 0 ADAERN CCO[C@@H](C)C(=O)C1(C)CC1 238304858 573176082 /nfs/dbraw/zinc/17/60/82/573176082.db2.gz CSAWMRIIJXXJQS-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN CC1(C)CCC[C@]([NH3+])(CC(=O)[O-])C1 82762594 573176094 /nfs/dbraw/zinc/17/60/94/573176094.db2.gz PEQNDPXNUSEORD-JTQLQIEISA-N 0 0 185.267 1.759 10 0 ADAERN C=Cc1cnn(-c2ccccc2)n1 82762053 573176100 /nfs/dbraw/zinc/17/61/00/573176100.db2.gz JWLWERNQQKWAIZ-UHFFFAOYSA-N 0 0 171.203 1.910 10 0 ADAERN O=C1CCc2c1ccc1c2OCO1 104681974 573176110 /nfs/dbraw/zinc/17/61/10/573176110.db2.gz IGECQYWWTCKFMT-UHFFFAOYSA-N 0 0 176.171 1.544 10 0 ADAERN COC(=O)CCC(=O)[C@@H](C)C(C)C 308292259 573176115 /nfs/dbraw/zinc/17/61/15/573176115.db2.gz LUAHKUKNXIMQEH-QMMMGPOBSA-N 0 0 186.251 1.801 10 0 ADAERN Cc1cc(F)ccc1[C@@H]1CC(=O)N1 82762480 573176134 /nfs/dbraw/zinc/17/61/34/573176134.db2.gz INSCUELIHMTPJT-VIFPVBQESA-N 0 0 179.194 1.695 10 0 ADAERN Cc1cccc([C@H]2COCCN2)c1N 104680049 573176140 /nfs/dbraw/zinc/17/61/40/573176140.db2.gz NYMSTLKSEBFQPT-SNVBAGLBSA-N 0 0 192.262 1.238 10 0 ADAERN COc1ccc([C@@]2(C)CC(=O)N2)cc1 82762184 573176145 /nfs/dbraw/zinc/17/61/45/573176145.db2.gz XDEUIXKPHPOEMN-LLVKDONJSA-N 0 0 191.230 1.430 10 0 ADAERN Cc1c(O)cccc1[C@@H]1COCCN1 104682182 573176168 /nfs/dbraw/zinc/17/61/68/573176168.db2.gz IWENHVXKCFOXBQ-JTQLQIEISA-N 0 0 193.246 1.362 10 0 ADAERN CCOc1ccncc1[C@H](O)COC 308509109 573176171 /nfs/dbraw/zinc/17/61/71/573176171.db2.gz RBVBRRIMIHFWKF-SECBINFHSA-N 0 0 197.234 1.160 10 0 ADAERN CC[C@H]1CC[C@]2(CC(=O)N2)C1 82762409 573176179 /nfs/dbraw/zinc/17/61/79/573176179.db2.gz SFCQDZAZNAPUFI-IONNQARKSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@H](CO)c1cccc2ncn(C)c12 257960351 573176188 /nfs/dbraw/zinc/17/61/88/573176188.db2.gz BSPDRIVFUBIKDN-QMMMGPOBSA-N 0 0 190.246 1.669 10 0 ADAERN CCc1ccncc1[C@H]1COCCN1 104680058 573176216 /nfs/dbraw/zinc/17/62/16/573176216.db2.gz RMMSZBPTZBGLGO-LLVKDONJSA-N 0 0 192.262 1.305 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)Cc1ccoc1 689928857 573176217 /nfs/dbraw/zinc/17/62/17/573176217.db2.gz ZVHWMWRISJTHQV-GXSJLCMTSA-N 0 0 194.230 1.816 10 0 ADAERN CN(C)C(=O)N[C@H](C(F)F)C1CC1 308294116 573177309 /nfs/dbraw/zinc/17/73/09/573177309.db2.gz HAWQSFQXUJINFH-LURJTMIESA-N 0 0 192.209 1.301 10 0 ADAERN CCOCn1ccc([C@@H](O)CC)c1 85839234 573176232 /nfs/dbraw/zinc/17/62/32/573176232.db2.gz MDESXZPGXMNDPU-JTQLQIEISA-N 0 0 183.251 1.926 10 0 ADAERN C[C@H](NN(C)C)c1cncc(F)c1 235507602 573176288 /nfs/dbraw/zinc/17/62/88/573176288.db2.gz WPXSIHMOIOCSHE-ZETCQYMHSA-N 0 0 183.230 1.348 10 0 ADAERN COCCc1cn2c(C)cccc2n1 257960186 573176328 /nfs/dbraw/zinc/17/63/28/573176328.db2.gz NDJKFZZHDHKYAN-UHFFFAOYSA-N 0 0 190.246 1.832 10 0 ADAERN N[C@@H](c1ccc[nH]c1=O)C(F)(F)F 104682043 573176361 /nfs/dbraw/zinc/17/63/61/573176361.db2.gz DITIIDCPECQEAH-YFKPBYRVSA-N 0 0 192.140 1.349 10 0 ADAERN [NH3+][C@H]1CCc2c1ccc(C(=O)[O-])c2O 104682138 573176394 /nfs/dbraw/zinc/17/63/94/573176394.db2.gz NJYYHKVJJBGBQQ-QMMMGPOBSA-N 0 0 193.202 1.036 10 0 ADAERN Cc1cc(O)cc([C@@H](C)O)c1 257959964 573176397 /nfs/dbraw/zinc/17/63/97/573176397.db2.gz GTCQAVCXNMWCGT-SSDOTTSWSA-N 0 0 152.193 1.754 10 0 ADAERN CCc1ccc(C(=O)[O-])cc1[C@H](C)[NH3+] 104679448 573176399 /nfs/dbraw/zinc/17/63/99/573176399.db2.gz PJTVAYYZTGIVOZ-ZETCQYMHSA-N 0 0 193.246 1.967 10 0 ADAERN CCCN(OC)C(=O)c1c[nH]nc1C 308509049 573176405 /nfs/dbraw/zinc/17/64/05/573176405.db2.gz BGZWOGNKWIKOFM-UHFFFAOYSA-N 0 0 197.238 1.132 10 0 ADAERN COc1c(O)cc(C)c2c1CCC2=O 104680705 573176409 /nfs/dbraw/zinc/17/64/09/573176409.db2.gz FOMXPXQTYQEIAS-UHFFFAOYSA-N 0 0 192.214 1.838 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)N2)o1 82762526 573176419 /nfs/dbraw/zinc/17/64/19/573176419.db2.gz KEUDFPUJWHWEND-LURJTMIESA-N 0 0 151.165 1.149 10 0 ADAERN C[C@H]1COC[C@H]1Nc1cccnc1F 687983093 573176429 /nfs/dbraw/zinc/17/64/29/573176429.db2.gz ZWKJKWWHSNRENR-IONNQARKSA-N 0 0 196.225 1.668 10 0 ADAERN CN[C@H](c1cc(C)on1)C(F)(F)F 104681601 573176433 /nfs/dbraw/zinc/17/64/33/573176433.db2.gz JWOKDXSAACWEAR-ZCFIWIBFSA-N 0 0 194.156 1.806 10 0 ADAERN O=C([O-])c1ccnc([C@H]2CCC[NH2+]2)c1 104680010 573176445 /nfs/dbraw/zinc/17/64/45/573176445.db2.gz KGZWPKKNCPTOPG-MRVPVSSYSA-N 0 0 192.218 1.204 10 0 ADAERN CCn1cnc2c(C)[nH]c(=S)nc21 238303785 573176448 /nfs/dbraw/zinc/17/64/48/573176448.db2.gz AJCSWUVPNNUHHQ-UHFFFAOYSA-N 0 0 194.263 1.817 10 0 ADAERN N[C@@H](c1ccc(=O)[nH]c1)C(F)(F)F 104682047 573176455 /nfs/dbraw/zinc/17/64/55/573176455.db2.gz QXEPOFQQKSODNT-LURJTMIESA-N 0 0 192.140 1.349 10 0 ADAERN C/C=C/C=C\COC(=O)C1COC1 308293821 573176506 /nfs/dbraw/zinc/17/65/06/573176506.db2.gz JAOUWBZSZBUQPJ-IAROGAJJSA-N 0 0 182.219 1.308 10 0 ADAERN CN[C@H]([C@H]1CCC=CO1)C(F)(F)F 104681746 573176474 /nfs/dbraw/zinc/17/64/74/573176474.db2.gz VZGZNUCHZBMHLA-RNFRBKRXSA-N 0 0 195.184 1.829 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H]1n1cc([O-])cn1 257960044 573176476 /nfs/dbraw/zinc/17/64/76/573176476.db2.gz NBTFBNYIRINNHP-JTQLQIEISA-N 0 0 195.266 1.592 10 0 ADAERN Cc1ncc(-c2ccncc2)c(=O)[nH]1 258565790 573176477 /nfs/dbraw/zinc/17/64/77/573176477.db2.gz PNRNWMGWFRLYNI-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN Cc1cccc([C@@H]2COCCN2)c1N 104680046 573176486 /nfs/dbraw/zinc/17/64/86/573176486.db2.gz NYMSTLKSEBFQPT-JTQLQIEISA-N 0 0 192.262 1.238 10 0 ADAERN CCNc1cc(C(=O)OC)cc(C)n1 104681636 573176504 /nfs/dbraw/zinc/17/65/04/573176504.db2.gz KOZKXZKKALKBLN-UHFFFAOYSA-N 0 0 194.234 1.608 10 0 ADAERN C=CC1=CC(C)(C)C(=O)O1 104679208 573176518 /nfs/dbraw/zinc/17/65/18/573176518.db2.gz VPXIKNNVRLGHSZ-UHFFFAOYSA-N 0 0 138.166 1.639 10 0 ADAERN C/C=C\C(=O)OCCn1cccn1 308292662 573176523 /nfs/dbraw/zinc/17/65/23/573176523.db2.gz IBWMXWZYYCWVIU-RQOWECAXSA-N 0 0 180.207 1.002 10 0 ADAERN C[C@H](CO)c1ccc(N(C)C)c(F)c1 257960340 573176544 /nfs/dbraw/zinc/17/65/44/573176544.db2.gz BSFPNBCSOASOKI-MRVPVSSYSA-N 0 0 197.253 1.988 10 0 ADAERN [NH3+][C@]1(CC(=O)[O-])CCC[C@H](C2CC2)C1 82762637 573176545 /nfs/dbraw/zinc/17/65/45/573176545.db2.gz IALWNRITTVWXHC-GXSJLCMTSA-N 0 0 197.278 1.759 10 0 ADAERN COC[C@@H](OC)c1ccccc1CO 257960334 573176549 /nfs/dbraw/zinc/17/65/49/573176549.db2.gz BRWFJORBHXTBLY-LLVKDONJSA-N 0 0 196.246 1.513 10 0 ADAERN C[C@@H]1CCCC[C@@]12CC(=O)N2 82762320 573176552 /nfs/dbraw/zinc/17/65/52/573176552.db2.gz BDAQYBPIRPQCOM-VXNVDRBHSA-N 0 0 153.225 1.455 10 0 ADAERN CC(=O)[C@H](N)c1c(C)cc(O)cc1C 104679421 573176554 /nfs/dbraw/zinc/17/65/54/573176554.db2.gz WPZNLZHADBWKKU-NSHDSACASA-N 0 0 193.246 1.598 10 0 ADAERN Cn1ccc([C@@H](O)C2CC2)c1 85844652 573176555 /nfs/dbraw/zinc/17/65/55/573176555.db2.gz FGBXTYDXPMGTRN-VIFPVBQESA-N 0 0 151.209 1.469 10 0 ADAERN C[C@@H](O)CC1(CO)CCCCC1 115260309 573176584 /nfs/dbraw/zinc/17/65/84/573176584.db2.gz DXXKIYHPUGAUOM-SECBINFHSA-N 0 0 172.268 1.700 10 0 ADAERN CC(C)[C@@H](C)CNCC(F)(F)CO 308292630 573176593 /nfs/dbraw/zinc/17/65/93/573176593.db2.gz MRBWUWFJVWGBQX-QMMMGPOBSA-N 0 0 195.253 1.496 10 0 ADAERN C[C@@H](O)[C@@H]([NH3+])c1cccc([S-])c1 104681263 573176606 /nfs/dbraw/zinc/17/66/06/573176606.db2.gz OWNPTIWRPHGLJR-HZGVNTEJSA-N 0 0 183.276 1.356 10 0 ADAERN O=C1CCCO[C@]12CCCCO2 197171574 573177326 /nfs/dbraw/zinc/17/73/26/573177326.db2.gz AALMAPCXICOVQN-SECBINFHSA-N 0 0 170.208 1.263 10 0 ADAERN NOCc1ccc(Cl)cc1O 257959966 573176620 /nfs/dbraw/zinc/17/66/20/573176620.db2.gz GTDNUIHLPUMWMP-UHFFFAOYSA-N 0 0 173.599 1.436 10 0 ADAERN CC[C@H](C)[C@H](O)C(=O)OCC1CC1 308292343 573176628 /nfs/dbraw/zinc/17/66/28/573176628.db2.gz HWRZDNSUVLIINO-CBAPKCEASA-N 0 0 186.251 1.347 10 0 ADAERN Cc1cccc([C@@H]2CC(=O)N2)c1 82762466 573176630 /nfs/dbraw/zinc/17/66/30/573176630.db2.gz GZCVKQOFABZASP-VIFPVBQESA-N 0 0 161.204 1.556 10 0 ADAERN Cc1c2cc(N)c(N)cc2nn1C 259353217 573176631 /nfs/dbraw/zinc/17/66/31/573176631.db2.gz IEFIKUHBGCOKJA-UHFFFAOYSA-N 0 0 176.223 1.046 10 0 ADAERN N[C@H](c1ccncc1O)C(F)(F)F 104682056 573176648 /nfs/dbraw/zinc/17/66/48/573176648.db2.gz VCAHXPDYSLBPBA-ZCFIWIBFSA-N 0 0 192.140 1.349 10 0 ADAERN C[C@H]1Cc2ccc(CNO)cc2C1 257959844 573176656 /nfs/dbraw/zinc/17/66/56/573176656.db2.gz GPUUZQBOCWJYEN-QMMMGPOBSA-N 0 0 177.247 1.900 10 0 ADAERN N[C@@H](c1ccncc1F)C(F)(F)F 104680888 573176663 /nfs/dbraw/zinc/17/66/63/573176663.db2.gz CLHVBZPJERKVSI-LURJTMIESA-N 0 0 194.131 1.783 10 0 ADAERN CC[C@]1(C)CCO[C@@H]1O 238303973 573176666 /nfs/dbraw/zinc/17/66/66/573176666.db2.gz GUFKEPYQUGKZCL-NKWVEPMBSA-N 0 0 130.187 1.141 10 0 ADAERN Cc1cc([C@H](N)C(F)(F)F)n(C)n1 104680063 573176672 /nfs/dbraw/zinc/17/66/72/573176672.db2.gz UNACZUHPKCCYDZ-LURJTMIESA-N 0 0 193.172 1.291 10 0 ADAERN COC[C@H](OC)c1ccccc1CO 257960335 573176875 /nfs/dbraw/zinc/17/68/75/573176875.db2.gz BRWFJORBHXTBLY-NSHDSACASA-N 0 0 196.246 1.513 10 0 ADAERN COCC(=O)O[C@H]1CCCC1(C)C 308293923 573176692 /nfs/dbraw/zinc/17/66/92/573176692.db2.gz GTZSVPBCLAQXGB-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CCc1c(O)ccc2c1C(=O)CCO2 104681393 573176697 /nfs/dbraw/zinc/17/66/97/573176697.db2.gz NZYLOIVOZBEBJF-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN Clc1cnnn1C1CCC1 259353805 573176704 /nfs/dbraw/zinc/17/67/04/573176704.db2.gz PRKWTHCKHKCEGA-UHFFFAOYSA-N 0 0 157.604 1.657 10 0 ADAERN COc1ccc([C@]2(C)CC(=O)N2)cc1 82762185 573176738 /nfs/dbraw/zinc/17/67/38/573176738.db2.gz XDEUIXKPHPOEMN-NSHDSACASA-N 0 0 191.230 1.430 10 0 ADAERN Cc1cc2c(c(C)c1O)OCCC2=O 104681395 573176750 /nfs/dbraw/zinc/17/67/50/573176750.db2.gz CIAWBHRPHVSGHO-UHFFFAOYSA-N 0 0 192.214 1.974 10 0 ADAERN CCON(C)C(=O)Cc1ccco1 308292861 573176775 /nfs/dbraw/zinc/17/67/75/573176775.db2.gz GBCGQIBHTQEFMX-UHFFFAOYSA-N 0 0 183.207 1.232 10 0 ADAERN CP(C)(=O)Cn1ccc(N)n1 115251387 573176777 /nfs/dbraw/zinc/17/67/77/573176777.db2.gz XKRSVWIFQALJHO-UHFFFAOYSA-N 0 0 173.156 1.046 10 0 ADAERN CC[C@H](O)CCC1(C)OCCO1 198010207 573176790 /nfs/dbraw/zinc/17/67/90/573176790.db2.gz RHASDXZAWVHUOB-QMMMGPOBSA-N 0 0 174.240 1.301 10 0 ADAERN OCc1cnoc1[C@@H]1CCCCO1 259355797 573176797 /nfs/dbraw/zinc/17/67/97/573176797.db2.gz UOLHSULVJHVTHD-QMMMGPOBSA-N 0 0 183.207 1.409 10 0 ADAERN C[C@@H](CO)c1ccc(N(C)C)c(F)c1 257960341 573176817 /nfs/dbraw/zinc/17/68/17/573176817.db2.gz BSFPNBCSOASOKI-QMMMGPOBSA-N 0 0 197.253 1.988 10 0 ADAERN CCC[C@@H]1C[C@]2(CCO1)CC(=O)N2 82762460 573176831 /nfs/dbraw/zinc/17/68/31/573176831.db2.gz DQCNPKLPQNNZGE-PSASIEDQSA-N 0 0 183.251 1.224 10 0 ADAERN CC(C)[C@H]([NH3+])c1cc(C(=O)[O-])ccn1 104680217 573176874 /nfs/dbraw/zinc/17/68/74/573176874.db2.gz DQJSCXWIANQBIJ-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN C[C@@H]1CCCC[C@]12CC(=O)N2 82762322 573176848 /nfs/dbraw/zinc/17/68/48/573176848.db2.gz BDAQYBPIRPQCOM-APPZFPTMSA-N 0 0 153.225 1.455 10 0 ADAERN Cc1c(F)ccc(O)c1CCCO 257960337 573176855 /nfs/dbraw/zinc/17/68/55/573176855.db2.gz BSAUYNIGPZULMQ-UHFFFAOYSA-N 0 0 184.210 1.765 10 0 ADAERN CC(C)[C@@H]1OC(=O)N[C@@H]1C(C)C 115248136 573176861 /nfs/dbraw/zinc/17/68/61/573176861.db2.gz UWZGYAPBQNOYBW-SFYZADRCSA-N 0 0 171.240 1.775 10 0 ADAERN Cc1ccc(CCON)c(O)c1C 257959988 573176885 /nfs/dbraw/zinc/17/68/85/573176885.db2.gz GUGJKHGGBYJYIZ-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN CS/C=C\C(=O)N1CC(C(C)C)C1 308293979 573176901 /nfs/dbraw/zinc/17/69/01/573176901.db2.gz GYCPMMWWKPETPN-PLNGDYQASA-N 0 0 199.319 1.978 10 0 ADAERN C[C@H](NN(C)C)c1cc(O)cc(O)c1 235507275 573176910 /nfs/dbraw/zinc/17/69/10/573176910.db2.gz FUUPCRBHXSBMFW-ZETCQYMHSA-N 0 0 196.250 1.225 10 0 ADAERN Nc1cc(F)cc(F)c1N1CC=CC1 123767985 573176911 /nfs/dbraw/zinc/17/69/11/573176911.db2.gz XJHVZUMUHYNFLL-UHFFFAOYSA-N 0 0 196.200 1.923 10 0 ADAERN C[C@H](O)c1ccc(CC2(O)CC2)cc1 257960375 573176913 /nfs/dbraw/zinc/17/69/13/573176913.db2.gz BTOPCPDBKZMAQW-VIFPVBQESA-N 0 0 192.258 1.807 10 0 ADAERN O=C([O-])c1ccc([C@H]2CC[NH2+]2)cc1O 104680807 573176914 /nfs/dbraw/zinc/17/69/14/573176914.db2.gz ZEVNTRRMJUCBSI-MRVPVSSYSA-N 0 0 193.202 1.125 10 0 ADAERN CC[C@H](O)C1(C(=O)NC)CCCCC1 238304912 573176918 /nfs/dbraw/zinc/17/69/18/573176918.db2.gz BEDPTAIPNDMBRR-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN CC[C@H](O)C(F)(F)CF 238304538 573176932 /nfs/dbraw/zinc/17/69/32/573176932.db2.gz VAKDVKXGUWYUTR-BYPYZUCNSA-N 0 0 142.120 1.362 10 0 ADAERN CCOC[C@@H](C)Nc1nc(C)co1 308292363 573176934 /nfs/dbraw/zinc/17/69/34/573176934.db2.gz FWGSRLZXSWRUNO-SSDOTTSWSA-N 0 0 184.239 1.820 10 0 ADAERN [NH3+][C@H](c1cc(C(=O)[O-])ccn1)C1CC1 104679355 573176945 /nfs/dbraw/zinc/17/69/45/573176945.db2.gz AUBOFOBIIWHHPX-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN CC(C)[C@H]([NH3+])c1ncccc1C(=O)[O-] 104680946 573176959 /nfs/dbraw/zinc/17/69/59/573176959.db2.gz BNGOLDPESKSHDS-QMMMGPOBSA-N 0 0 194.234 1.436 10 0 ADAERN Cc1cc(O)cc2c1C(=O)CC2 104682011 573176978 /nfs/dbraw/zinc/17/69/78/573176978.db2.gz LTKYOHFSKNHKBV-UHFFFAOYSA-N 0 0 162.188 1.830 10 0 ADAERN CN(CCC1(O)CC1)CC(F)(F)F 308292341 573176985 /nfs/dbraw/zinc/17/69/85/573176985.db2.gz FVVYXDFIBPRXHA-UHFFFAOYSA-N 0 0 197.200 1.396 10 0 ADAERN CN[C@@H](c1[nH]cnc1C)C(F)(F)F 104680073 573176997 /nfs/dbraw/zinc/17/69/97/573176997.db2.gz NFKCQLBOMILYFH-LURJTMIESA-N 0 0 193.172 1.541 10 0 ADAERN O=C1C[C@@]2(CCc3ccccc32)N1 82762440 573177003 /nfs/dbraw/zinc/17/70/03/573177003.db2.gz JABCNURXDCXQEW-LLVKDONJSA-N 0 0 173.215 1.348 10 0 ADAERN CCc1nc(C)c(COC(C)=O)o1 308293689 573177008 /nfs/dbraw/zinc/17/70/08/573177008.db2.gz PKFOQHNRRKQRAP-UHFFFAOYSA-N 0 0 183.207 1.609 10 0 ADAERN CC[C@H](C)[C@@H](O)Cn1cc(OC)cn1 308509037 573177015 /nfs/dbraw/zinc/17/70/15/573177015.db2.gz BGLITFWXXDGKLF-WPRPVWTQSA-N 0 0 198.266 1.299 10 0 ADAERN CCc1nc(C(C)=O)cn1[C@H](C)CO 308510719 573177019 /nfs/dbraw/zinc/17/70/19/573177019.db2.gz BXLXBNPZGKYLMT-SSDOTTSWSA-N 0 0 196.250 1.201 10 0 ADAERN CCc1c(C)cccc1[C@@H]([NH3+])C(=O)[O-] 104680113 573177021 /nfs/dbraw/zinc/17/70/21/573177021.db2.gz BVKAJVLOFWVZCO-SNVBAGLBSA-N 0 0 193.246 1.642 10 0 ADAERN CC(C)OCc1oncc1N 257959671 573177025 /nfs/dbraw/zinc/17/70/25/573177025.db2.gz UBCMFOXTQSUISV-UHFFFAOYSA-N 0 0 156.185 1.182 10 0 ADAERN COC(=O)NCCC1=CCOCC1 308292469 573177341 /nfs/dbraw/zinc/17/73/41/573177341.db2.gz FYTHNRWEDIWYKE-UHFFFAOYSA-N 0 0 185.223 1.079 10 0 ADAERN COC(=O)CCC(=O)[C@H](C)C(C)C 308292258 573177033 /nfs/dbraw/zinc/17/70/33/573177033.db2.gz LUAHKUKNXIMQEH-MRVPVSSYSA-N 0 0 186.251 1.801 10 0 ADAERN C[C@@H]1C[C@H]1c1ccc([C@@H]2CC(=O)N2)o1 82762472 573177042 /nfs/dbraw/zinc/17/70/42/573177042.db2.gz URARQLFUONYCIM-PRJMDXOYSA-N 0 0 191.230 1.964 10 0 ADAERN Cc1cccc([C@@](C)([NH3+])C(=O)[O-])c1C 104680850 573177044 /nfs/dbraw/zinc/17/70/44/573177044.db2.gz YCKVZQLCEVIDCH-LLVKDONJSA-N 0 0 193.246 1.562 10 0 ADAERN O=C1C[C@]2(CCc3ccccc32)N1 82762441 573177055 /nfs/dbraw/zinc/17/70/55/573177055.db2.gz JABCNURXDCXQEW-NSHDSACASA-N 0 0 173.215 1.348 10 0 ADAERN [NH3+][C@]1(CC(=O)[O-])CCc2ccccc21 82762622 573177063 /nfs/dbraw/zinc/17/70/63/573177063.db2.gz WEYOVEHZSLKJDA-NSHDSACASA-N 0 0 191.230 1.262 10 0 ADAERN C[C@H](O)CC1(CO)CCCCC1 115260311 573177064 /nfs/dbraw/zinc/17/70/64/573177064.db2.gz DXXKIYHPUGAUOM-VIFPVBQESA-N 0 0 172.268 1.700 10 0 ADAERN CS/C=C/C(=O)N1CC(C(C)C)C1 308293983 573177074 /nfs/dbraw/zinc/17/70/74/573177074.db2.gz GYCPMMWWKPETPN-SNAWJCMRSA-N 0 0 199.319 1.978 10 0 ADAERN CCc1nc(C(C)=O)cn1[C@@H](C)CO 308510721 573177089 /nfs/dbraw/zinc/17/70/89/573177089.db2.gz BXLXBNPZGKYLMT-ZETCQYMHSA-N 0 0 196.250 1.201 10 0 ADAERN CC[C@]1(C)CC[C@@H](C(C)=O)O1 238304009 573177093 /nfs/dbraw/zinc/17/70/93/573177093.db2.gz YZYTVHCTDUDOIA-DTWKUNHWSA-N 0 0 156.225 1.923 10 0 ADAERN N[C@@H](c1ncccc1O)C(F)(F)F 104682040 573177109 /nfs/dbraw/zinc/17/71/09/573177109.db2.gz BSAGWDZBOCCZEC-LURJTMIESA-N 0 0 192.140 1.349 10 0 ADAERN CCc1cccc2c1[C@@H](O)[C@H](O)C=C2 238304712 573177121 /nfs/dbraw/zinc/17/71/21/573177121.db2.gz MSQGJHSHWWOXEH-PWSUYJOCSA-N 0 0 190.242 1.670 10 0 ADAERN CC(C)CC[C@]1(C)CC(=O)N1 82762418 573177123 /nfs/dbraw/zinc/17/71/23/573177123.db2.gz JRSWSHQDCCHXTG-SECBINFHSA-N 0 0 155.241 1.701 10 0 ADAERN COc1cc2c(cc1N)C(=O)CCO2 104681505 573177128 /nfs/dbraw/zinc/17/71/28/573177128.db2.gz GTYLOTCPIJVWJW-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN O=C1C[C@H](CO)[C@@H](c2ccsc2)C1 197160642 573177171 /nfs/dbraw/zinc/17/71/71/573177171.db2.gz GFYCYQJTXRQAOB-PSASIEDQSA-N 0 0 196.271 1.803 10 0 ADAERN CCCCNC(=O)C(F)(F)Cl 197169670 573177186 /nfs/dbraw/zinc/17/71/86/573177186.db2.gz OFWIPOHVMQXCJZ-UHFFFAOYSA-N 0 0 185.601 1.734 10 0 ADAERN CONCc1cccc2c1CCC2 257959814 573177188 /nfs/dbraw/zinc/17/71/88/573177188.db2.gz GPJBNOOMTHRSPH-UHFFFAOYSA-N 0 0 177.247 1.826 10 0 ADAERN CO[C@@H](C)c1ccc(CON)cc1 257959986 573177264 /nfs/dbraw/zinc/17/72/64/573177264.db2.gz GUAQVPNTBQIHES-QMMMGPOBSA-N 0 0 181.235 1.784 10 0 ADAERN C[C@H]1CCC[C@]2(CC(=O)N2)C1 82762423 573177205 /nfs/dbraw/zinc/17/72/05/573177205.db2.gz GPYSMWCBALAGII-IONNQARKSA-N 0 0 153.225 1.455 10 0 ADAERN CC(=O)[C@@H](N)c1c(C)cc(O)cc1C 104679420 573177215 /nfs/dbraw/zinc/17/72/15/573177215.db2.gz WPZNLZHADBWKKU-LLVKDONJSA-N 0 0 193.246 1.598 10 0 ADAERN [NH3+][C@H]1CCc2cc(C(=O)[O-])c(O)cc21 104682141 573177221 /nfs/dbraw/zinc/17/72/21/573177221.db2.gz TXLXQRFWZKEZKV-QMMMGPOBSA-N 0 0 193.202 1.036 10 0 ADAERN CC1(c2nc(C=O)co2)CC1 259353982 573177233 /nfs/dbraw/zinc/17/72/33/573177233.db2.gz PRXSIKJUMOUTGI-UHFFFAOYSA-N 0 0 151.165 1.539 10 0 ADAERN C/C=C/C=C\c1nc(N(C)C)no1 308292339 573177241 /nfs/dbraw/zinc/17/72/41/573177241.db2.gz HWJBBLOKMQECPF-DEQVHDEQSA-N 0 0 179.223 1.725 10 0 ADAERN Cc1ccc2c(c1C1(O)CC1)CCO2 257960338 573177243 /nfs/dbraw/zinc/17/72/43/573177243.db2.gz BSCUNSYHSSBRDY-UHFFFAOYSA-N 0 0 190.242 1.911 10 0 ADAERN CN[C@@H]([C@@H]1CCC=CO1)C(F)(F)F 104681734 573177245 /nfs/dbraw/zinc/17/72/45/573177245.db2.gz VZGZNUCHZBMHLA-BQBZGAKWSA-N 0 0 195.184 1.829 10 0 ADAERN CCO[C@H]1C[C@H]2CCCC(=O)[C@H]12 238304973 573177409 /nfs/dbraw/zinc/17/74/09/573177409.db2.gz FQZCDSLWCZXUGB-FKTZTGRPSA-N 0 0 168.236 1.781 10 0 ADAERN CCON(C)C(=O)N1CCCCC1 308293590 573177413 /nfs/dbraw/zinc/17/74/13/573177413.db2.gz GPOOYRMCLZZMQL-UHFFFAOYSA-N 0 0 186.255 1.476 10 0 ADAERN C/C=C/COC(=O)C1=CCCCO1 308293767 573177428 /nfs/dbraw/zinc/17/74/28/573177428.db2.gz IYNUKBJMAUNJCM-NSCUHMNNSA-N 0 0 182.219 1.800 10 0 ADAERN CCc1cccc([C@H](C)O)n1 238304007 573177433 /nfs/dbraw/zinc/17/74/33/573177433.db2.gz BNXLJBQYXJXOLB-ZETCQYMHSA-N 0 0 151.209 1.697 10 0 ADAERN CN[C@H]([C@@H]1CCC=CO1)C(F)(F)F 104681737 573177439 /nfs/dbraw/zinc/17/74/39/573177439.db2.gz VZGZNUCHZBMHLA-NKWVEPMBSA-N 0 0 195.184 1.829 10 0 ADAERN COCc1cc(CO)ccc1F 257959989 573177454 /nfs/dbraw/zinc/17/74/54/573177454.db2.gz GUHFIOJDSBSZQW-UHFFFAOYSA-N 0 0 170.183 1.464 10 0 ADAERN CC[C@H](O)C/C=C(/C)C(=O)OC 238304704 573177455 /nfs/dbraw/zinc/17/74/55/573177455.db2.gz VVLLAGUCNUVKNR-TVSKSKRASA-N 0 0 172.224 1.267 10 0 ADAERN C[C@@]([NH3+])(CO)c1cccc([S-])c1 104681267 573177583 /nfs/dbraw/zinc/17/75/83/573177583.db2.gz OFQMKEIGVHFDQU-SECBINFHSA-N 0 0 183.276 1.142 10 0 ADAERN CC(C)[C@H](C)CNCc1ncon1 308292821 573177456 /nfs/dbraw/zinc/17/74/56/573177456.db2.gz NHCGYSVKTREXSE-MRVPVSSYSA-N 0 0 183.255 1.451 10 0 ADAERN CO[C@H](C)c1ccc(CON)cc1 257959985 573177482 /nfs/dbraw/zinc/17/74/82/573177482.db2.gz GUAQVPNTBQIHES-MRVPVSSYSA-N 0 0 181.235 1.784 10 0 ADAERN CCc1cc(O)cc2c1C(=O)CCO2 104681403 573177492 /nfs/dbraw/zinc/17/74/92/573177492.db2.gz FEFNZRUKMKMJSP-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN C[C@@H]1COC[C@@H]1Nc1cccnc1F 687983069 573177512 /nfs/dbraw/zinc/17/75/12/573177512.db2.gz ZWKJKWWHSNRENR-APPZFPTMSA-N 0 0 196.225 1.668 10 0 ADAERN C[C@@]1(c2ccccc2F)CC(=O)N1 82762191 573177534 /nfs/dbraw/zinc/17/75/34/573177534.db2.gz VPILMKVBFVJYNH-JTQLQIEISA-N 0 0 179.194 1.561 10 0 ADAERN CCOC(=O)c1ncc2cc[nH]c2n1 259355414 573177540 /nfs/dbraw/zinc/17/75/40/573177540.db2.gz MUUMKUZKMJZHGZ-UHFFFAOYSA-N 0 0 191.190 1.135 10 0 ADAERN CCC[C@H]1C[C@@]2(CCO1)CC(=O)N2 82762459 573177552 /nfs/dbraw/zinc/17/75/52/573177552.db2.gz DQCNPKLPQNNZGE-WPRPVWTQSA-N 0 0 183.251 1.224 10 0 ADAERN O=C([O-])c1cccnc1[C@H]1CCC[NH2+]1 104680717 573177557 /nfs/dbraw/zinc/17/75/57/573177557.db2.gz YUTNTHRXUNDMAI-MRVPVSSYSA-N 0 0 192.218 1.204 10 0 ADAERN CCc1ccc([C@]2(C)CC(=O)N2)cc1 82762316 573177563 /nfs/dbraw/zinc/17/75/63/573177563.db2.gz VCMHMEXAYDXMBE-LBPRGKRZSA-N 0 0 189.258 1.984 10 0 ADAERN CN[C@H](NN)c1ccc(C(C)C)cc1 259355234 573177667 /nfs/dbraw/zinc/17/76/67/573177667.db2.gz UBRVPVLLSXRGNU-LLVKDONJSA-N 0 0 193.294 1.491 10 0 ADAERN CC[C@H]1CCCNC(=O)CC1 238304247 573177571 /nfs/dbraw/zinc/17/75/71/573177571.db2.gz YISMHPMFMFQZNH-QMMMGPOBSA-N 0 0 155.241 1.703 10 0 ADAERN CCOc1ccc(N)cc1COC 37065478 573177610 /nfs/dbraw/zinc/17/76/10/573177610.db2.gz PWBIEICZADUEMI-UHFFFAOYSA-N 0 0 181.235 1.814 10 0 ADAERN C[C@H](C[C@H]1CCSC1)ON 259352895 573177611 /nfs/dbraw/zinc/17/76/11/573177611.db2.gz FJNBZGTVGIFJFV-RNFRBKRXSA-N 0 0 161.270 1.408 10 0 ADAERN CNC(=O)[C@@H](C)C1=CC=CC1 238304348 573177624 /nfs/dbraw/zinc/17/76/24/573177624.db2.gz CJOOGMPMUUHITK-ZETCQYMHSA-N 0 0 151.209 1.255 10 0 ADAERN CC[C@@H](C)[C@@H](O)Cn1cc(OC)cn1 308509035 573177646 /nfs/dbraw/zinc/17/76/46/573177646.db2.gz BGLITFWXXDGKLF-SCZZXKLOSA-N 0 0 198.266 1.299 10 0 ADAERN Cc1cc(O)cc([C@H](C)O)c1 257959965 573177652 /nfs/dbraw/zinc/17/76/52/573177652.db2.gz GTCQAVCXNMWCGT-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN c1ccc2c(c1)nnn1ccnc21 104681874 573177653 /nfs/dbraw/zinc/17/76/53/573177653.db2.gz CQZZAJFDVCOPHU-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN CC[C@]1(c2ccc(F)cc2)CC(=O)N1 82762275 573177654 /nfs/dbraw/zinc/17/76/54/573177654.db2.gz JEDIRIGZQZWGNT-LLVKDONJSA-N 0 0 193.221 1.951 10 0 ADAERN C[C@]1(C2CCCCC2)CC(=O)N1 82762520 573177661 /nfs/dbraw/zinc/17/76/61/573177661.db2.gz MPHBQNGXMCALEI-SNVBAGLBSA-N 0 0 167.252 1.845 10 0 ADAERN CNC(=S)[C@@H]1CCCCC1=O 238304265 573177682 /nfs/dbraw/zinc/17/76/82/573177682.db2.gz DJPMFVCIAQQYAF-ZCFIWIBFSA-N 0 0 171.265 1.293 10 0 ADAERN CC(C)[C@H](CCCC(=O)[O-])[NH+](C)C 259354010 573177685 /nfs/dbraw/zinc/17/76/85/573177685.db2.gz FRZUWPBMEWCJJB-VIFPVBQESA-N 0 0 187.283 1.828 10 0 ADAERN CC[C@@]1(C)C[C@]2(CCO1)CC(=O)N2 82762258 573177708 /nfs/dbraw/zinc/17/77/08/573177708.db2.gz YWCKSIJBZGAPOW-UWVGGRQHSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1ccc([C@@H]2COCCN2)c(N)c1 104680051 573177718 /nfs/dbraw/zinc/17/77/18/573177718.db2.gz FRIMOZMTGAYZCX-NSHDSACASA-N 0 0 192.262 1.238 10 0 ADAERN COc1ccccc1[C@]1(C)CC(=O)N1 82762375 573177738 /nfs/dbraw/zinc/17/77/38/573177738.db2.gz PIZXFJNRAMFLTA-NSHDSACASA-N 0 0 191.230 1.430 10 0 ADAERN CN[C@@H](C1=COCCC1)C(F)(F)F 104681751 573177741 /nfs/dbraw/zinc/17/77/41/573177741.db2.gz JRDSRVZRTHTYOM-ZETCQYMHSA-N 0 0 195.184 1.831 10 0 ADAERN O=C1C[C@]2(CCC[C@H](C3CC3)C2)N1 82762294 573177756 /nfs/dbraw/zinc/17/77/56/573177756.db2.gz XYUAXWZZAXOFMV-GXSJLCMTSA-N 0 0 179.263 1.845 10 0 ADAERN Cc1cccc([C@H]2CC(=O)N2)c1C 82762268 573177788 /nfs/dbraw/zinc/17/77/88/573177788.db2.gz QLQVIQQDRUEQGT-SNVBAGLBSA-N 0 0 175.231 1.864 10 0 ADAERN N[C@@H](c1cccc(F)n1)C(F)(F)F 104680879 573177792 /nfs/dbraw/zinc/17/77/92/573177792.db2.gz PJTCQVHPEDRVHU-LURJTMIESA-N 0 0 194.131 1.783 10 0 ADAERN Cc1cc(=O)n(CCC(C)C)[n-]1 104681053 573177820 /nfs/dbraw/zinc/17/78/20/573177820.db2.gz FQVXSGDDTAXDBW-UHFFFAOYSA-N 0 0 168.240 1.641 10 0 ADAERN CC[C@@H]1CC[C@@]2(CC(=O)N2)C1 82762410 573177829 /nfs/dbraw/zinc/17/78/29/573177829.db2.gz SFCQDZAZNAPUFI-APPZFPTMSA-N 0 0 153.225 1.455 10 0 ADAERN O=C1C[C@@]2(CCC[C@@H](C3CC3)C2)N1 82762293 573177835 /nfs/dbraw/zinc/17/78/35/573177835.db2.gz XYUAXWZZAXOFMV-KOLCDFICSA-N 0 0 179.263 1.845 10 0 ADAERN CCC[C@H]1C[C@]2(CCO1)CC(=O)N2 82762461 573177854 /nfs/dbraw/zinc/17/78/54/573177854.db2.gz DQCNPKLPQNNZGE-WCBMZHEXSA-N 0 0 183.251 1.224 10 0 ADAERN CCC[C@H](C)[C@@H](O)COCCOC 233339505 573177878 /nfs/dbraw/zinc/17/78/78/573177878.db2.gz SJULKVICLWDAQC-UWVGGRQHSA-N 0 0 190.283 1.447 10 0 ADAERN O=C([O-])c1cccc([C@H]2CCC[NH2+]2)n1 104679351 573177881 /nfs/dbraw/zinc/17/78/81/573177881.db2.gz OVTZBFQCHDPBRC-SSDOTTSWSA-N 0 0 192.218 1.204 10 0 ADAERN C/C=C/C(=O)OCCn1cccn1 308292661 573177990 /nfs/dbraw/zinc/17/79/90/573177990.db2.gz IBWMXWZYYCWVIU-DUXPYHPUSA-N 0 0 180.207 1.002 10 0 ADAERN C[C@@H]([NH3+])c1ccc(C(=O)[O-])c(O)c1 104680495 573177899 /nfs/dbraw/zinc/17/78/99/573177899.db2.gz RNZJFTZQLKFVFF-RXMQYKEDSA-N 0 0 181.191 1.110 10 0 ADAERN CCOCCCOc1ccccn1 308293550 573177904 /nfs/dbraw/zinc/17/79/04/573177904.db2.gz GNPNZLTZYNLRRO-UHFFFAOYSA-N 0 0 181.235 1.887 10 0 ADAERN C[C@]1(c2ccc(F)c(F)c2)CC(=O)N1 82762368 573177905 /nfs/dbraw/zinc/17/79/05/573177905.db2.gz FAAOHKVCBBMOLX-SNVBAGLBSA-N 0 0 197.184 1.700 10 0 ADAERN COc1c(C)c(CCO)cc(C)c1O 257960359 573177923 /nfs/dbraw/zinc/17/79/23/573177923.db2.gz BTAIKFLAGXHXKA-UHFFFAOYSA-N 0 0 196.246 1.552 10 0 ADAERN [NH3+][C@H](c1cccc(C(=O)[O-])n1)C1CC1 104679343 573177934 /nfs/dbraw/zinc/17/79/34/573177934.db2.gz KUWVZLUHYFOKOZ-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN COCCn1nccc1CCC(C)=O 308509742 573177938 /nfs/dbraw/zinc/17/79/38/573177938.db2.gz BLCXDFFMXGCFFK-UHFFFAOYSA-N 0 0 196.250 1.051 10 0 ADAERN CC[C@H](C)[C@@H](O)C(=O)OCC1CC1 308292344 573177958 /nfs/dbraw/zinc/17/79/58/573177958.db2.gz HWRZDNSUVLIINO-IONNQARKSA-N 0 0 186.251 1.347 10 0 ADAERN c1cnc2ccc3nonc3c2c1 104681859 573177975 /nfs/dbraw/zinc/17/79/75/573177975.db2.gz FRQJZDPYTDRPFQ-UHFFFAOYSA-N 0 0 171.159 1.771 10 0 ADAERN O=C1C[C@@]2(CCC[C@H](C3CC3)C2)N1 82762292 573177976 /nfs/dbraw/zinc/17/79/76/573177976.db2.gz XYUAXWZZAXOFMV-ONGXEEELSA-N 0 0 179.263 1.845 10 0 ADAERN O=C1C[C@]2(CCc3ccccc3C2)N1 82762391 573177992 /nfs/dbraw/zinc/17/79/92/573177992.db2.gz OWLGRPDZUGCSCP-GFCCVEGCSA-N 0 0 187.242 1.434 10 0 ADAERN Cc1nsnc1CNC(C)C 74310371 573185365 /nfs/dbraw/zinc/18/53/65/573185365.db2.gz GDSWEKTUNLMICF-UHFFFAOYSA-N 0 0 171.269 1.345 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1cccnc1 104680222 573178009 /nfs/dbraw/zinc/17/80/09/573178009.db2.gz LKMMJUCWXUYCIY-QMMMGPOBSA-N 0 0 194.234 1.192 10 0 ADAERN N[C@@H](c1cncc(F)c1)C(F)(F)F 104680893 573178016 /nfs/dbraw/zinc/17/80/16/573178016.db2.gz CNFLMIBXGYGIJN-LURJTMIESA-N 0 0 194.131 1.783 10 0 ADAERN C[C@@H]1CCC[C@@]([NH3+])(CC(=O)[O-])C1 82762604 573178018 /nfs/dbraw/zinc/17/80/18/573178018.db2.gz QJLVZFVNAFTUMM-APPZFPTMSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@@H](C)[C@H](O)C(=O)OCC1CC1 308292342 573178039 /nfs/dbraw/zinc/17/80/39/573178039.db2.gz HWRZDNSUVLIINO-APPZFPTMSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@@]1(c2ccccc2)CC(=O)N1 82762189 573178043 /nfs/dbraw/zinc/17/80/43/573178043.db2.gz CGGUONBRTNTIIH-NSHDSACASA-N 0 0 175.231 1.812 10 0 ADAERN CC[C@@H]1CCCC[C@]12CC(=O)N2 82762261 573178090 /nfs/dbraw/zinc/17/80/90/573178090.db2.gz BBBXDAVSYAJROC-SCZZXKLOSA-N 0 0 167.252 1.845 10 0 ADAERN O=C1CCc2cc3c(cc21)CCO3 104681958 573178107 /nfs/dbraw/zinc/17/81/07/573178107.db2.gz LURSHTSKZJMIIQ-UHFFFAOYSA-N 0 0 174.199 1.750 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1ccccn1 104679582 573178114 /nfs/dbraw/zinc/17/81/14/573178114.db2.gz YTBANUDFIQICBE-QMMMGPOBSA-N 0 0 194.234 1.192 10 0 ADAERN CC[C@H]1CCC[C@]2(CC(=O)N2)C1 82762463 573178116 /nfs/dbraw/zinc/17/81/16/573178116.db2.gz BLECIIMOLRQNJN-WCBMZHEXSA-N 0 0 167.252 1.845 10 0 ADAERN Cc1ccc([C@@]2(C)CC(=O)N2)cc1 82762187 573178125 /nfs/dbraw/zinc/17/81/25/573178125.db2.gz IVWYYDFTJJXLNI-LLVKDONJSA-N 0 0 175.231 1.730 10 0 ADAERN O=C1C[C@@]2(CCCc3ccccc32)N1 82762387 573178135 /nfs/dbraw/zinc/17/81/35/573178135.db2.gz VDYRQDLIKIFBQQ-GFCCVEGCSA-N 0 0 187.242 1.738 10 0 ADAERN CC(C)[C@@H]1C[C@@]2(CCO1)CC(=O)N2 82762202 573178163 /nfs/dbraw/zinc/17/81/63/573178163.db2.gz KWLYZUAHUDFGQG-WPRPVWTQSA-N 0 0 183.251 1.080 10 0 ADAERN Nc1cc(F)cc(-c2nnco2)c1F 222851215 573178169 /nfs/dbraw/zinc/17/81/69/573178169.db2.gz PAYFGAQJYWCROL-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN O=C1C[C@@]2(CCc3ccccc3C2)N1 82762392 573178185 /nfs/dbraw/zinc/17/81/85/573178185.db2.gz OWLGRPDZUGCSCP-LBPRGKRZSA-N 0 0 187.242 1.434 10 0 ADAERN C[C@@H](O)[C@H]([NH3+])c1cccc([S-])c1 104681258 573178188 /nfs/dbraw/zinc/17/81/88/573178188.db2.gz OWNPTIWRPHGLJR-MUWHJKNJSA-N 0 0 183.276 1.356 10 0 ADAERN CC1(C)C=CC(C)(C)C1O 197162444 573178195 /nfs/dbraw/zinc/17/81/95/573178195.db2.gz ZABHXMXPJZOWBF-UHFFFAOYSA-N 0 0 140.226 1.970 10 0 ADAERN O=C1CCCO[C@@]12CCCCO2 197171584 573178201 /nfs/dbraw/zinc/17/82/01/573178201.db2.gz AALMAPCXICOVQN-VIFPVBQESA-N 0 0 170.208 1.263 10 0 ADAERN Cc1ccccc1[C@]1(C)CC(=O)N1 82762239 573178207 /nfs/dbraw/zinc/17/82/07/573178207.db2.gz HZJIPQRRFNITSO-NSHDSACASA-N 0 0 175.231 1.730 10 0 ADAERN C[C@@H]1C[C@@H]1c1ccc([C@@H]2CC(=O)N2)o1 82762470 573178220 /nfs/dbraw/zinc/17/82/20/573178220.db2.gz URARQLFUONYCIM-CSMHCCOUSA-N 0 0 191.230 1.964 10 0 ADAERN Cc1cccc([C@@H]2CC(=O)N2)c1C 82762267 573178224 /nfs/dbraw/zinc/17/82/24/573178224.db2.gz QLQVIQQDRUEQGT-JTQLQIEISA-N 0 0 175.231 1.864 10 0 ADAERN Cc1ccc([C@H]2COCCN2)c(N)c1 104680052 573178236 /nfs/dbraw/zinc/17/82/36/573178236.db2.gz FRIMOZMTGAYZCX-LLVKDONJSA-N 0 0 192.262 1.238 10 0 ADAERN CC(C)Cc1cc(=O)[nH][n-]c1=O 258568953 573178239 /nfs/dbraw/zinc/17/82/39/573178239.db2.gz KYSCYSWPUAOPDY-UHFFFAOYSA-N 0 0 168.196 1.086 10 0 ADAERN O=Cc1ccn2c3c(nc2c1)CCC3 74280581 573178240 /nfs/dbraw/zinc/17/82/40/573178240.db2.gz YLFJLURDNQSVOG-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN Cc1cc(-c2nncn2C)ccn1 235882576 573178255 /nfs/dbraw/zinc/17/82/55/573178255.db2.gz GATQIXJNQRGWBP-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN C/C=C\COC(=O)C1=CCCCO1 308293766 573178277 /nfs/dbraw/zinc/17/82/77/573178277.db2.gz IYNUKBJMAUNJCM-IHWYPQMZSA-N 0 0 182.219 1.800 10 0 ADAERN Cc1cc([C@@H](O)C2CC2)ccn1 235878201 573178289 /nfs/dbraw/zinc/17/82/89/573178289.db2.gz QHOAEYWZEKSIBY-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN Cc1cc([C@@H]2CC(=O)N2)c(C)s1 82762352 573178292 /nfs/dbraw/zinc/17/82/92/573178292.db2.gz WYTLFVLFDSAKHT-QMMMGPOBSA-N 0 0 181.260 1.926 10 0 ADAERN COc1c(N)c(F)cc2c1ccn2C 257959839 573178296 /nfs/dbraw/zinc/17/82/96/573178296.db2.gz GPUGAVDZLGSXMO-UHFFFAOYSA-N 0 0 194.209 1.908 10 0 ADAERN CCc1cc(C=O)n(C2CC2)n1 238306048 573178297 /nfs/dbraw/zinc/17/82/97/573178297.db2.gz FPJRWSOZBLTHKN-UHFFFAOYSA-N 0 0 164.208 1.593 10 0 ADAERN CNC(=S)c1cnc(Cl)cn1 238305762 573178311 /nfs/dbraw/zinc/17/83/11/573178311.db2.gz CFNCWWDXZDCYSQ-UHFFFAOYSA-N 0 0 187.655 1.025 10 0 ADAERN CN(C)C(=O)NC1C[C@@H]2CCC[C@H]2C1 238306611 573178317 /nfs/dbraw/zinc/17/83/17/573178317.db2.gz ILZGLORWPMDUJO-IUCAKERBSA-N 0 0 196.294 1.836 10 0 ADAERN COc1cc(OC)c([C@@H](C)O)cc1O 257960382 573178324 /nfs/dbraw/zinc/17/83/24/573178324.db2.gz BTUQVURDFHKBFI-ZCFIWIBFSA-N 0 0 198.218 1.463 10 0 ADAERN CC(C)=C1CC=C(CCO)[C@H](O)C1 197163852 573178325 /nfs/dbraw/zinc/17/83/25/573178325.db2.gz ZLGHJSKTEAIZMF-LLVKDONJSA-N 0 0 182.263 1.786 10 0 ADAERN CCO[C@H]1NC(=O)C[C@@H]2C=CCC[C@@H]21 238305143 573178326 /nfs/dbraw/zinc/17/83/26/573178326.db2.gz NZHPJGQSQXTSJV-ATZCPNFKSA-N 0 0 195.262 1.451 10 0 ADAERN CC[C@@H]1CCC[C@]2(CC(=O)N2)C1 82762462 573178329 /nfs/dbraw/zinc/17/83/29/573178329.db2.gz BLECIIMOLRQNJN-PSASIEDQSA-N 0 0 167.252 1.845 10 0 ADAERN Cc1ccc([C@H]2CC(=O)N2)o1 82762527 573178334 /nfs/dbraw/zinc/17/83/34/573178334.db2.gz KEUDFPUJWHWEND-ZCFIWIBFSA-N 0 0 151.165 1.149 10 0 ADAERN N[C@@H](c1cc[nH]c(=O)c1)C(F)(F)F 104682033 573178336 /nfs/dbraw/zinc/17/83/36/573178336.db2.gz AHIWUUMUWMFRIF-LURJTMIESA-N 0 0 192.140 1.349 10 0 ADAERN CC[C@H]1CCC[C@@]2(CC(=O)N2)C1 82762465 573178342 /nfs/dbraw/zinc/17/83/42/573178342.db2.gz BLECIIMOLRQNJN-WPRPVWTQSA-N 0 0 167.252 1.845 10 0 ADAERN O=C([O-])c1ccc([C@@H]2CC[NH2+]2)cc1O 104681500 573178343 /nfs/dbraw/zinc/17/83/43/573178343.db2.gz ZEVNTRRMJUCBSI-QMMMGPOBSA-N 0 0 193.202 1.125 10 0 ADAERN CCc1ccc(O)c2c1C(=O)CCO2 104682060 573178349 /nfs/dbraw/zinc/17/83/49/573178349.db2.gz RZRQOTXHNTUAAX-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN CCC[C@H](C)[C@](CC)(C[NH3+])C(=O)[O-] 233340073 573178350 /nfs/dbraw/zinc/17/83/50/573178350.db2.gz QMTLZFBWKZCQLO-WPRPVWTQSA-N 0 0 187.283 1.862 10 0 ADAERN CCc1cccc2c1[C@H](C(=O)[O-])[NH2+]C2 238305172 573178353 /nfs/dbraw/zinc/17/83/53/573178353.db2.gz QLKONQHBIOCLHW-SNVBAGLBSA-N 0 0 191.230 1.478 10 0 ADAERN CCC[C@@H]1C[C@@]2(CCO1)CC(=O)N2 82762458 573178358 /nfs/dbraw/zinc/17/83/58/573178358.db2.gz DQCNPKLPQNNZGE-SCZZXKLOSA-N 0 0 183.251 1.224 10 0 ADAERN CC[C@H](O)C1=CC1(C)C 238305353 573178366 /nfs/dbraw/zinc/17/83/66/573178366.db2.gz APXHCHAQIKAOCR-ZETCQYMHSA-N 0 0 126.199 1.724 10 0 ADAERN N[C@H](c1cc[nH]c(=O)c1)C(F)(F)F 104682035 573178374 /nfs/dbraw/zinc/17/83/74/573178374.db2.gz AHIWUUMUWMFRIF-ZCFIWIBFSA-N 0 0 192.140 1.349 10 0 ADAERN CC[C@@H]1CCC[C@@]2(CC(=O)N2)C1 82762464 573178385 /nfs/dbraw/zinc/17/83/85/573178385.db2.gz BLECIIMOLRQNJN-SCZZXKLOSA-N 0 0 167.252 1.845 10 0 ADAERN Cc1cc(N)ccc1[C@@H]([NH3+])CC(=O)[O-] 104681672 573178388 /nfs/dbraw/zinc/17/83/88/573178388.db2.gz GNGFQYZCOIYMLW-VIFPVBQESA-N 0 0 194.234 1.052 10 0 ADAERN O=C1C[C@]2(CCC[C@@H](C3CC3)C2)N1 82762295 573178391 /nfs/dbraw/zinc/17/83/91/573178391.db2.gz XYUAXWZZAXOFMV-MWLCHTKSSA-N 0 0 179.263 1.845 10 0 ADAERN CC[C@H](O)C1=CCC1 238305376 573178396 /nfs/dbraw/zinc/17/83/96/573178396.db2.gz VTGBRDIGJXNTGU-ZETCQYMHSA-N 0 0 112.172 1.478 10 0 ADAERN CC(=O)[C@@H](C)n1cc(OC(C)C)cn1 308509505 573178405 /nfs/dbraw/zinc/17/84/05/573178405.db2.gz BHTDSWUGQQLDRM-MRVPVSSYSA-N 0 0 196.250 1.820 10 0 ADAERN CCc1cc(=O)n(CCCF)cn1 308292920 573178423 /nfs/dbraw/zinc/17/84/23/573178423.db2.gz GFCFNPNJFRWCAT-UHFFFAOYSA-N 0 0 184.214 1.165 10 0 ADAERN CC1(C)CCC[C@@]([NH3+])(CC(=O)[O-])C1 82762595 573178431 /nfs/dbraw/zinc/17/84/31/573178431.db2.gz PEQNDPXNUSEORD-SNVBAGLBSA-N 0 0 185.267 1.759 10 0 ADAERN OC[C@@H]1Cc2cccc(O)c21 258485942 573178436 /nfs/dbraw/zinc/17/84/36/573178436.db2.gz JPIHPSNXYRVFPQ-ZETCQYMHSA-N 0 0 150.177 1.024 10 0 ADAERN O=C([O-])c1ccc([C@H]2CCC[NH2+]2)cn1 104680734 573178441 /nfs/dbraw/zinc/17/84/41/573178441.db2.gz CDFPQYMGSNHWPM-MRVPVSSYSA-N 0 0 192.218 1.204 10 0 ADAERN C/C=C(\C)C(=O)N[C@@H](C)COCC 308293571 573178448 /nfs/dbraw/zinc/17/84/48/573178448.db2.gz GPCRHFQAMREIDT-QRJSTWQJSA-N 0 0 185.267 1.494 10 0 ADAERN C[C@](O)(c1cccnc1)c1ccco1 235730269 573178458 /nfs/dbraw/zinc/17/84/58/573178458.db2.gz RISIUWQRYQNMKI-NSHDSACASA-N 0 0 189.214 1.930 10 0 ADAERN CC=C=C[C@@H](O)CC 238305668 573178462 /nfs/dbraw/zinc/17/84/62/573178462.db2.gz BEAFQXGJROPWJY-MSZQBOFLSA-N 0 0 112.172 1.489 10 0 ADAERN CSCC(=O)Oc1ccc(C)nc1 308292887 573178466 /nfs/dbraw/zinc/17/84/66/573178466.db2.gz GDKCCFWBPPZXPZ-UHFFFAOYSA-N 0 0 197.259 1.658 10 0 ADAERN COc1ccccc1[C@@]1(C)CC(=O)N1 82762374 573178470 /nfs/dbraw/zinc/17/84/70/573178470.db2.gz PIZXFJNRAMFLTA-LLVKDONJSA-N 0 0 191.230 1.430 10 0 ADAERN CC(C)=CCCn1nnc(N)c1C 642859312 573178471 /nfs/dbraw/zinc/17/84/71/573178471.db2.gz GRNYDBJMURUJKC-UHFFFAOYSA-N 0 0 180.255 1.525 10 0 ADAERN Nc1cnnc([C@H]2CCSC2)c1 259356898 573178476 /nfs/dbraw/zinc/17/84/76/573178476.db2.gz FQSSAXQTKZOSGZ-LURJTMIESA-N 0 0 181.264 1.279 10 0 ADAERN CCc1nc(NC)c2ncoc2n1 238305164 573178477 /nfs/dbraw/zinc/17/84/77/573178477.db2.gz XETIJPFYMOUGOY-UHFFFAOYSA-N 0 0 178.195 1.222 10 0 ADAERN CC(C)[C@H]1C[C@]2(CCO1)CC(=O)N2 82762205 573178478 /nfs/dbraw/zinc/17/84/78/573178478.db2.gz KWLYZUAHUDFGQG-PSASIEDQSA-N 0 0 183.251 1.080 10 0 ADAERN CCc1ccc(C)cc1[C@@H]([NH3+])C(=O)[O-] 104680094 573178519 /nfs/dbraw/zinc/17/85/19/573178519.db2.gz LHRWAYUVZOZBEO-SNVBAGLBSA-N 0 0 193.246 1.642 10 0 ADAERN COc1cccc([C@@]2(C)CC(=O)N2)c1 82762544 573178520 /nfs/dbraw/zinc/17/85/20/573178520.db2.gz ASHHYPBOIWYSRT-LLVKDONJSA-N 0 0 191.230 1.430 10 0 ADAERN CC(C)SC(=O)c1cnoc1N 257959796 573178537 /nfs/dbraw/zinc/17/85/37/573178537.db2.gz UDNQJCYPVRIKCJ-UHFFFAOYSA-N 0 0 186.236 1.539 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H]1n1cc([O-])cn1 257960045 573178546 /nfs/dbraw/zinc/17/85/46/573178546.db2.gz NBTFBNYIRINNHP-SNVBAGLBSA-N 0 0 195.266 1.592 10 0 ADAERN Cc1cccc([C@H](C)O)c1N 258570015 573178548 /nfs/dbraw/zinc/17/85/48/573178548.db2.gz RNQMERCPVXXHIB-ZETCQYMHSA-N 0 0 151.209 1.631 10 0 ADAERN C[C@@]1(c2cccc(F)c2)CC(=O)N1 82762248 573178549 /nfs/dbraw/zinc/17/85/49/573178549.db2.gz TYLGXZAZSNQDSH-JTQLQIEISA-N 0 0 179.194 1.561 10 0 ADAERN O=C1C[C@@H]2CCCC=C2N1 115315732 573178552 /nfs/dbraw/zinc/17/85/52/573178552.db2.gz XYOTVNLEVSFRRG-LURJTMIESA-N 0 0 137.182 1.190 10 0 ADAERN C[C@]1(c2ccc(F)cc2)CC(=O)N1 82762538 573178567 /nfs/dbraw/zinc/17/85/67/573178567.db2.gz RVTJLWXTTGAGLK-SNVBAGLBSA-N 0 0 179.194 1.561 10 0 ADAERN CN[C@@H](c1cc(C)on1)C(F)(F)F 104681597 573178589 /nfs/dbraw/zinc/17/85/89/573178589.db2.gz JWOKDXSAACWEAR-LURJTMIESA-N 0 0 194.156 1.806 10 0 ADAERN CCC[C@H](C)Cn1cc(C(C)=O)nn1 308510509 573178593 /nfs/dbraw/zinc/17/85/93/573178593.db2.gz RTHRPAJTINVTJY-QMMMGPOBSA-N 0 0 195.266 1.917 10 0 ADAERN CCc1ccccc1[C@H]1CC(=O)N1 82762309 573178598 /nfs/dbraw/zinc/17/85/98/573178598.db2.gz WKQBQSATGBXGAV-SNVBAGLBSA-N 0 0 175.231 1.810 10 0 ADAERN O=C1CCc2c1ccc1c2CCO1 104681964 573178611 /nfs/dbraw/zinc/17/86/11/573178611.db2.gz IAUTUOCDUVGXOQ-UHFFFAOYSA-N 0 0 174.199 1.750 10 0 ADAERN COc1cc(C)nc(C)c1C1([NH3+])CC1 104680741 573178617 /nfs/dbraw/zinc/17/86/17/573178617.db2.gz OMXOLZLUVWUBOB-UHFFFAOYSA-N 0 0 192.262 1.655 10 0 ADAERN COC(=O)NCC1(C(F)(F)F)CC1 308292429 573179486 /nfs/dbraw/zinc/17/94/86/573179486.db2.gz FXDDIGAQRKXYSC-UHFFFAOYSA-N 0 0 197.156 1.685 10 0 ADAERN CC[C@]1(C)C[C@@H](C)[C@@H](O)O1 238305015 573178655 /nfs/dbraw/zinc/17/86/55/573178655.db2.gz FEOQNOMJFOHVCV-GJMOJQLCSA-N 0 0 144.214 1.530 10 0 ADAERN O=C1C[C@@H](C2CCCC2)N1 82762216 573178657 /nfs/dbraw/zinc/17/86/57/573178657.db2.gz WBELLZUCOINXTG-ZETCQYMHSA-N 0 0 139.198 1.065 10 0 ADAERN CCC[C@@H](O)C(=O)c1cn(CC)cn1 308510722 573178658 /nfs/dbraw/zinc/17/86/58/573178658.db2.gz BXNQQAOPKSKIOY-SECBINFHSA-N 0 0 196.250 1.247 10 0 ADAERN Cc1cc([C@H]2CC(=O)N2)c(C)s1 82762353 573178667 /nfs/dbraw/zinc/17/86/67/573178667.db2.gz WYTLFVLFDSAKHT-MRVPVSSYSA-N 0 0 181.260 1.926 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1ccccn1 104679580 573178690 /nfs/dbraw/zinc/17/86/90/573178690.db2.gz YTBANUDFIQICBE-MRVPVSSYSA-N 0 0 194.234 1.192 10 0 ADAERN CC[C@]1(c2ccccc2)CC(=O)N1 82762188 573178708 /nfs/dbraw/zinc/17/87/08/573178708.db2.gz CGGUONBRTNTIIH-LLVKDONJSA-N 0 0 175.231 1.812 10 0 ADAERN C[C@H](NN(C)C)c1ccc(O)cc1F 235507439 573178713 /nfs/dbraw/zinc/17/87/13/573178713.db2.gz XVRWWIGRUMDZIY-ZETCQYMHSA-N 0 0 198.241 1.659 10 0 ADAERN CC(C)[C@@H]1C[C@]2(CCO1)CC(=O)N2 82762204 573178719 /nfs/dbraw/zinc/17/87/19/573178719.db2.gz KWLYZUAHUDFGQG-WCBMZHEXSA-N 0 0 183.251 1.080 10 0 ADAERN COc1c(O)ccc2c1CCCC2=O 104680710 573178731 /nfs/dbraw/zinc/17/87/31/573178731.db2.gz ZBIBUMYCHLIELM-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN O=C1C[C@H](C2CCCC2)N1 82762217 573178760 /nfs/dbraw/zinc/17/87/60/573178760.db2.gz WBELLZUCOINXTG-SSDOTTSWSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@@]1(C2CCCCC2)CC(=O)N1 82762521 573178794 /nfs/dbraw/zinc/17/87/94/573178794.db2.gz MPHBQNGXMCALEI-JTQLQIEISA-N 0 0 167.252 1.845 10 0 ADAERN C[C@H](O)[C@H]1COc2cccc(O)c21 257958598 573178805 /nfs/dbraw/zinc/17/88/05/573178805.db2.gz FPMOEWSCKJSZRK-NKWVEPMBSA-N 0 0 180.203 1.249 10 0 ADAERN Cc1ccc(C2=NCC(=O)N2)cc1F 235871856 573178815 /nfs/dbraw/zinc/17/88/15/573178815.db2.gz RLNUZTCMPQOHRO-UHFFFAOYSA-N 0 0 192.193 1.011 10 0 ADAERN C[C@@]1(c2cc(F)ccc2F)CC(=O)N1 82762233 573178821 /nfs/dbraw/zinc/17/88/21/573178821.db2.gz OQFFLBKPZFUKIG-JTQLQIEISA-N 0 0 197.184 1.700 10 0 ADAERN CC(C)(C)[C@@H]([NH3+])/C=C/C(=O)[O-] 259357677 573178824 /nfs/dbraw/zinc/17/88/24/573178824.db2.gz KBITVWMMGIZFCU-OVCGOVNKSA-N 0 0 157.213 1.001 10 0 ADAERN COc1ccc(C(S)N=O)cc1 104681169 573178844 /nfs/dbraw/zinc/17/88/44/573178844.db2.gz FRYKHOXCKSACLY-UHFFFAOYSA-N 0 0 183.232 1.350 10 0 ADAERN CC(=O)[C@H](C)n1cc(OC(C)C)cn1 308509512 573178857 /nfs/dbraw/zinc/17/88/57/573178857.db2.gz BHTDSWUGQQLDRM-QMMMGPOBSA-N 0 0 196.250 1.820 10 0 ADAERN COCC(=O)O[C@@H]1CCCC1(C)C 308293922 573178859 /nfs/dbraw/zinc/17/88/59/573178859.db2.gz GTZSVPBCLAQXGB-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN [NH3+][C@H](c1cncc(C(=O)[O-])c1)C1CC1 104681408 573178869 /nfs/dbraw/zinc/17/88/69/573178869.db2.gz ACAOFEPVXVKUBB-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN C[C@H]1C=C(CO)CC1 197160902 573178888 /nfs/dbraw/zinc/17/88/88/573178888.db2.gz LAEUAIQGUIVNGY-ZCFIWIBFSA-N 0 0 112.172 1.335 10 0 ADAERN Cc1ccccc1[C@@]1(C)CC(=O)N1 82762240 573178912 /nfs/dbraw/zinc/17/89/12/573178912.db2.gz HZJIPQRRFNITSO-LLVKDONJSA-N 0 0 175.231 1.730 10 0 ADAERN COc1ccc([C@H]2CC(=O)N2)cc1C 82762483 573178939 /nfs/dbraw/zinc/17/89/39/573178939.db2.gz UTDPMVHEVKDQJW-SECBINFHSA-N 0 0 191.230 1.565 10 0 ADAERN C[C@]1(c2cccc(F)c2)CC(=O)N1 82762247 573178949 /nfs/dbraw/zinc/17/89/49/573178949.db2.gz TYLGXZAZSNQDSH-SNVBAGLBSA-N 0 0 179.194 1.561 10 0 ADAERN CCn1nc(C(C)C)cc1CO 238305688 573180046 /nfs/dbraw/zinc/18/00/46/573180046.db2.gz CRQZXVBPCPPKSJ-UHFFFAOYSA-N 0 0 168.240 1.519 10 0 ADAERN CCc1ccc([C@@]2(C)CC(=O)N2)cc1 82762317 573178960 /nfs/dbraw/zinc/17/89/60/573178960.db2.gz VCMHMEXAYDXMBE-GFCCVEGCSA-N 0 0 189.258 1.984 10 0 ADAERN CC[C@H](O)[C@H]1CC(C)(C)CC[C@@H]1O 115307034 573178969 /nfs/dbraw/zinc/17/89/69/573178969.db2.gz ZVLLAZFFOOZKQC-UTLUCORTSA-N 0 0 186.295 1.945 10 0 ADAERN CCc1cc(C(=O)[O-])ccc1[C@H](C)[NH3+] 104679425 573178974 /nfs/dbraw/zinc/17/89/74/573178974.db2.gz LIYMCVFHMOUVTP-ZETCQYMHSA-N 0 0 193.246 1.967 10 0 ADAERN CCO[C@@H](C)C(C)(C)CO 238305168 573178979 /nfs/dbraw/zinc/17/89/79/573178979.db2.gz OLDRKCGNCBINJW-ZETCQYMHSA-N 0 0 146.230 1.430 10 0 ADAERN CC(C)(C)C[C@H]1CC(=O)N1 82762219 573178984 /nfs/dbraw/zinc/17/89/84/573178984.db2.gz KUWJPBDLWWYTHM-ZCFIWIBFSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@]1(CCc2ccccc2)CC(=O)N1 82762444 573179000 /nfs/dbraw/zinc/17/90/00/573179000.db2.gz SZSJUTYRAKKTML-LBPRGKRZSA-N 0 0 189.258 1.898 10 0 ADAERN O[C@]1(CCCC(F)(F)F)CCOC1 123782938 573179018 /nfs/dbraw/zinc/17/90/18/573179018.db2.gz JALBEHARISBJEF-SSDOTTSWSA-N 0 0 198.184 1.870 10 0 ADAERN Cc1c(N)cccc1[C@H]([NH3+])CC(=O)[O-] 104681649 573179047 /nfs/dbraw/zinc/17/90/47/573179047.db2.gz KWKCXNRRESSNLW-SECBINFHSA-N 0 0 194.234 1.052 10 0 ADAERN Cc1ccc(O)cc1[C@@H]1COCCN1 104681555 573179065 /nfs/dbraw/zinc/17/90/65/573179065.db2.gz MMLPSFBLHHPCMK-NSHDSACASA-N 0 0 193.246 1.362 10 0 ADAERN CCOc1nc(N)cc(N)c1Cl 115334486 573179078 /nfs/dbraw/zinc/17/90/78/573179078.db2.gz DIFMQEXFKWAWAE-UHFFFAOYSA-N 0 0 187.630 1.298 10 0 ADAERN COCNc1ccc(OC)cc1OC 258570130 573179082 /nfs/dbraw/zinc/17/90/82/573179082.db2.gz CYMAOJLXRTWNMF-UHFFFAOYSA-N 0 0 197.234 1.720 10 0 ADAERN CC[C@@H]1CCCC[C@@]12CC(=O)N2 82762259 573179100 /nfs/dbraw/zinc/17/91/00/573179100.db2.gz BBBXDAVSYAJROC-PSASIEDQSA-N 0 0 167.252 1.845 10 0 ADAERN CCCC1(CCC)CC(=O)N1 82762331 573179109 /nfs/dbraw/zinc/17/91/09/573179109.db2.gz NDCXOHSJRJZUER-UHFFFAOYSA-N 0 0 155.241 1.845 10 0 ADAERN CCCc1ccc(N(C)C#N)nn1 259359922 573179116 /nfs/dbraw/zinc/17/91/16/573179116.db2.gz RYUSWWGXZVSLPJ-UHFFFAOYSA-N 0 0 176.223 1.346 10 0 ADAERN C[C@@H]1Cc2ccc(CNO)cc2C1 257959842 573179146 /nfs/dbraw/zinc/17/91/46/573179146.db2.gz GPUUZQBOCWJYEN-MRVPVSSYSA-N 0 0 177.247 1.900 10 0 ADAERN CN(CC(F)F)C1CCC(=O)CC1 85872026 573179148 /nfs/dbraw/zinc/17/91/48/573179148.db2.gz HWCFGPNMBLPLKX-UHFFFAOYSA-N 0 0 191.221 1.695 10 0 ADAERN Cc1ccccc1[C@H]1CN(C)C(=O)N1 259358005 573179157 /nfs/dbraw/zinc/17/91/57/573179157.db2.gz INADXLPOVQFEKK-SNVBAGLBSA-N 0 0 190.246 1.691 10 0 ADAERN N#Cc1cc2c(nc1C=O)CCCC2 74280613 573179167 /nfs/dbraw/zinc/17/91/67/573179167.db2.gz SBWQCPFLKASNCI-UHFFFAOYSA-N 0 0 186.214 1.645 10 0 ADAERN CN[C@H](c1c[nH]c(C)n1)C(F)(F)F 104680070 573179178 /nfs/dbraw/zinc/17/91/78/573179178.db2.gz FRAYUNPCAARESA-ZCFIWIBFSA-N 0 0 193.172 1.541 10 0 ADAERN OC1(c2cccc3cnoc23)CC1 257959917 573179186 /nfs/dbraw/zinc/17/91/86/573179186.db2.gz GQZFPGDEEMGDPZ-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN COC(C)(C)C[C@@]1(C)CC(=O)N1 82762310 573179190 /nfs/dbraw/zinc/17/91/90/573179190.db2.gz JFVQEJUJOGAKBU-SECBINFHSA-N 0 0 171.240 1.080 10 0 ADAERN C[C@H](O)c1cccc2c1OCCN2C 257960347 573179192 /nfs/dbraw/zinc/17/91/92/573179192.db2.gz BSJGGYUCXATOOB-QMMMGPOBSA-N 0 0 193.246 1.569 10 0 ADAERN C[C@H]1CCC[C@]([NH3+])(CC(=O)[O-])C1 82762603 573179208 /nfs/dbraw/zinc/17/92/08/573179208.db2.gz QJLVZFVNAFTUMM-IONNQARKSA-N 0 0 171.240 1.369 10 0 ADAERN COCCOCCn1cc(C)c(C)c1 308510105 573179230 /nfs/dbraw/zinc/17/92/30/573179230.db2.gz BOBNMPSCUOHLLF-UHFFFAOYSA-N 0 0 197.278 1.768 10 0 ADAERN Cc1cccc([C@H]2CC(=O)N2)c1 82762467 573179238 /nfs/dbraw/zinc/17/92/38/573179238.db2.gz GZCVKQOFABZASP-SECBINFHSA-N 0 0 161.204 1.556 10 0 ADAERN ONCc1ccccc1C1CSC1 257960368 573179239 /nfs/dbraw/zinc/17/92/39/573179239.db2.gz BTHNFHYRBPKICT-UHFFFAOYSA-N 0 0 195.287 1.996 10 0 ADAERN CCO[C@@H](C)CCC(C)=O 238305464 573179245 /nfs/dbraw/zinc/17/92/45/573179245.db2.gz NPVHCMXIBZRABI-QMMMGPOBSA-N 0 0 144.214 1.781 10 0 ADAERN CCC[C@@H](C)Cn1cc(C(C)=O)nn1 308510505 573179251 /nfs/dbraw/zinc/17/92/51/573179251.db2.gz RTHRPAJTINVTJY-MRVPVSSYSA-N 0 0 195.266 1.917 10 0 ADAERN CC[C@@H]1CC[C@]2(CC(=O)N2)C1 82762408 573179255 /nfs/dbraw/zinc/17/92/55/573179255.db2.gz SFCQDZAZNAPUFI-VXNVDRBHSA-N 0 0 153.225 1.455 10 0 ADAERN CC[C@]1(C)C[C@@]2(CCO1)CC(=O)N2 82762255 573179267 /nfs/dbraw/zinc/17/92/67/573179267.db2.gz YWCKSIJBZGAPOW-NXEZZACHSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@H]1CCC[C@@]2(CC(=O)N2)C1 82762425 573179276 /nfs/dbraw/zinc/17/92/76/573179276.db2.gz GPYSMWCBALAGII-CBAPKCEASA-N 0 0 153.225 1.455 10 0 ADAERN N[C@@H](c1ccncc1O)C(F)(F)F 104682053 573179279 /nfs/dbraw/zinc/17/92/79/573179279.db2.gz VCAHXPDYSLBPBA-LURJTMIESA-N 0 0 192.140 1.349 10 0 ADAERN CC[C@@H](C)NC(=O)CCC[C@@H](C)O 308293107 573179285 /nfs/dbraw/zinc/17/92/85/573179285.db2.gz ILTGXMGKAVIGMB-RKDXNWHRSA-N 0 0 187.283 1.452 10 0 ADAERN C/C=C/C=C/COC(=O)C1COC1 308293822 573179494 /nfs/dbraw/zinc/17/94/94/573179494.db2.gz JAOUWBZSZBUQPJ-MQQKCMAXSA-N 0 0 182.219 1.308 10 0 ADAERN Cc1cc(N)cc2c1C(=O)CC2 104681954 573179290 /nfs/dbraw/zinc/17/92/90/573179290.db2.gz WPIDPBJXHPXVRM-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN CCCC[C@]1(CC)CC(=O)N1 82762400 573179296 /nfs/dbraw/zinc/17/92/96/573179296.db2.gz LMOGMIFWUZKEHY-SECBINFHSA-N 0 0 155.241 1.845 10 0 ADAERN c1ccc2c(c1)nnc1cccn12 104681868 573179343 /nfs/dbraw/zinc/17/93/43/573179343.db2.gz MNBMEPCBWHCISW-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN Cc1cccc([C@@H](C)O)c1N 258570009 573179352 /nfs/dbraw/zinc/17/93/52/573179352.db2.gz RNQMERCPVXXHIB-SSDOTTSWSA-N 0 0 151.209 1.631 10 0 ADAERN CC(C)[C@H]1C[C@@]2(CCO1)CC(=O)N2 82762203 573179383 /nfs/dbraw/zinc/17/93/83/573179383.db2.gz KWLYZUAHUDFGQG-SCZZXKLOSA-N 0 0 183.251 1.080 10 0 ADAERN N[C@@H](c1ncccc1F)C(F)(F)F 104680884 573179398 /nfs/dbraw/zinc/17/93/98/573179398.db2.gz WPMSDSJOKJHZEN-LURJTMIESA-N 0 0 194.131 1.783 10 0 ADAERN C[C@]1(c2ccc(F)cc2F)CC(=O)N1 82762494 573179399 /nfs/dbraw/zinc/17/93/99/573179399.db2.gz RYWUGJOINGKQFI-SNVBAGLBSA-N 0 0 197.184 1.700 10 0 ADAERN C[C@@]1(c2ccc(F)c(F)c2)CC(=O)N1 82762369 573179408 /nfs/dbraw/zinc/17/94/08/573179408.db2.gz FAAOHKVCBBMOLX-JTQLQIEISA-N 0 0 197.184 1.700 10 0 ADAERN CCc1ccccc1[C@@H]1CC(=O)N1 82762308 573179497 /nfs/dbraw/zinc/17/94/97/573179497.db2.gz WKQBQSATGBXGAV-JTQLQIEISA-N 0 0 175.231 1.810 10 0 ADAERN C/C=C(\C)C(=O)N[C@H](C)COCC 308293573 573179429 /nfs/dbraw/zinc/17/94/29/573179429.db2.gz GPCRHFQAMREIDT-WHXYTISESA-N 0 0 185.267 1.494 10 0 ADAERN C[C@@H](O)c1cccc2c1OCCN2C 257960346 573179440 /nfs/dbraw/zinc/17/94/40/573179440.db2.gz BSJGGYUCXATOOB-MRVPVSSYSA-N 0 0 193.246 1.569 10 0 ADAERN Cc1cc(F)ccc1[C@H]1CC(=O)N1 82762481 573179452 /nfs/dbraw/zinc/17/94/52/573179452.db2.gz INSCUELIHMTPJT-SECBINFHSA-N 0 0 179.194 1.695 10 0 ADAERN C[C@H]1CCC[C@@]([NH3+])(CC(=O)[O-])C1 82762605 573179458 /nfs/dbraw/zinc/17/94/58/573179458.db2.gz QJLVZFVNAFTUMM-CBAPKCEASA-N 0 0 171.240 1.369 10 0 ADAERN C[C@H](O)[C@@H]1COc2cccc(O)c21 257958597 573179462 /nfs/dbraw/zinc/17/94/62/573179462.db2.gz FPMOEWSCKJSZRK-BQBZGAKWSA-N 0 0 180.203 1.249 10 0 ADAERN CCO[C@@H](C)CC(=O)CC 238305409 573179509 /nfs/dbraw/zinc/17/95/09/573179509.db2.gz PJZYHVQEHPCYQS-ZETCQYMHSA-N 0 0 144.214 1.781 10 0 ADAERN CCOc1ccncc1[C@@H](O)COC 308509112 573179515 /nfs/dbraw/zinc/17/95/15/573179515.db2.gz RBVBRRIMIHFWKF-VIFPVBQESA-N 0 0 197.234 1.160 10 0 ADAERN C[C@H]1CCCC[C@]12CC(=O)N2 82762323 573179527 /nfs/dbraw/zinc/17/95/27/573179527.db2.gz BDAQYBPIRPQCOM-CBAPKCEASA-N 0 0 153.225 1.455 10 0 ADAERN CCO[C@@H](C)C/C=C/CO 238305825 573179563 /nfs/dbraw/zinc/17/95/63/573179563.db2.gz LWHBIWOSGUQRDS-ZJELKQJVSA-N 0 0 144.214 1.350 10 0 ADAERN CS/C=C\C(=O)N1CC(C2CC2)C1 308292636 573179567 /nfs/dbraw/zinc/17/95/67/573179567.db2.gz MSBZPQYPCOCGCZ-PLNGDYQASA-N 0 0 197.303 1.732 10 0 ADAERN O=C1C[C@@]2(CCOc3ccccc32)N1 82762222 573179569 /nfs/dbraw/zinc/17/95/69/573179569.db2.gz CANVMNUQKUMXQT-LLVKDONJSA-N 0 0 189.214 1.184 10 0 ADAERN CCc1cccc2c1NC(=O)CCO2 238306054 573179572 /nfs/dbraw/zinc/17/95/72/573179572.db2.gz ZIIZNHJAJZIUEC-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN COc1cccc([C@]2(C)CC(=O)N2)c1 82762545 573179588 /nfs/dbraw/zinc/17/95/88/573179588.db2.gz ASHHYPBOIWYSRT-NSHDSACASA-N 0 0 191.230 1.430 10 0 ADAERN COc1cc(OC)c([C@H](C)O)cc1O 257960381 573179626 /nfs/dbraw/zinc/17/96/26/573179626.db2.gz BTUQVURDFHKBFI-LURJTMIESA-N 0 0 198.218 1.463 10 0 ADAERN OCC[C@@H]1O[C@H]1c1ccc(F)cc1 104681914 573179628 /nfs/dbraw/zinc/17/96/28/573179628.db2.gz RDYSPECRZNEENU-UWVGGRQHSA-N 0 0 182.194 1.648 10 0 ADAERN CCc1nnccc1C 115305507 573179642 /nfs/dbraw/zinc/17/96/42/573179642.db2.gz GRSUGKJJPOVYMJ-UHFFFAOYSA-N 0 0 122.171 1.347 10 0 ADAERN CCc1cccc2c1C[C@@H](CO)N2 238306030 573179644 /nfs/dbraw/zinc/17/96/44/573179644.db2.gz ANQAHWMJXIUEQZ-VIFPVBQESA-N 0 0 177.247 1.578 10 0 ADAERN C[C@H]([NH3+])c1ccc(C(=O)[O-])c(O)c1 104680493 573179647 /nfs/dbraw/zinc/17/96/47/573179647.db2.gz RNZJFTZQLKFVFF-YFKPBYRVSA-N 0 0 181.191 1.110 10 0 ADAERN C[C@@]1(c2ccc(F)cc2)CC(=O)N1 82762539 573179650 /nfs/dbraw/zinc/17/96/50/573179650.db2.gz RVTJLWXTTGAGLK-JTQLQIEISA-N 0 0 179.194 1.561 10 0 ADAERN CCc1cccc2c1[C@@H](C(=O)[O-])[NH2+]C2 238305272 573179666 /nfs/dbraw/zinc/17/96/66/573179666.db2.gz QLKONQHBIOCLHW-JTQLQIEISA-N 0 0 191.230 1.478 10 0 ADAERN N[C@@H](c1ccnc(F)c1)C(F)(F)F 104680154 573179689 /nfs/dbraw/zinc/17/96/89/573179689.db2.gz ZVOPGODRFIYGCZ-LURJTMIESA-N 0 0 194.131 1.783 10 0 ADAERN C[C@@H]1Cc2cccc(C3(O)CC3)c2O1 257960399 573179690 /nfs/dbraw/zinc/17/96/90/573179690.db2.gz BUZFASIVVQRJKE-MRVPVSSYSA-N 0 0 190.242 1.991 10 0 ADAERN C[C@@H](O)c1ccc(CC2(O)CC2)cc1 257960374 573179705 /nfs/dbraw/zinc/17/97/05/573179705.db2.gz BTOPCPDBKZMAQW-SECBINFHSA-N 0 0 192.258 1.807 10 0 ADAERN Cc1cc([C@@H](N)C(F)(F)F)n(C)n1 104680064 573179715 /nfs/dbraw/zinc/17/97/15/573179715.db2.gz UNACZUHPKCCYDZ-ZCFIWIBFSA-N 0 0 193.172 1.291 10 0 ADAERN Clc1cnc(N2CCCC2)o1 258570418 573179959 /nfs/dbraw/zinc/17/99/59/573179959.db2.gz PWKOTECWCUXHRP-UHFFFAOYSA-N 0 0 172.615 1.928 10 0 ADAERN Nc1cccc2c1NCCS2 259355869 573179742 /nfs/dbraw/zinc/17/97/42/573179742.db2.gz UPKPHOPOSDNONM-UHFFFAOYSA-N 0 0 166.249 1.786 10 0 ADAERN CC[C@]1(C)C[C@H](C)[C@@H](O)O1 238305513 573179750 /nfs/dbraw/zinc/17/97/50/573179750.db2.gz FEOQNOMJFOHVCV-BIIVOSGPSA-N 0 0 144.214 1.530 10 0 ADAERN CCCOc1ccc(C=O)o1 85873957 573179775 /nfs/dbraw/zinc/17/97/75/573179775.db2.gz SLNAVAXCTVXZPK-UHFFFAOYSA-N 0 0 154.165 1.881 10 0 ADAERN CC[C@]1(C)C[C@H](C(N)=O)CCO1 238305419 573179781 /nfs/dbraw/zinc/17/97/81/573179781.db2.gz NIUZUKDQBRNJAL-VXNVDRBHSA-N 0 0 171.240 1.067 10 0 ADAERN CC(=O)c1ccc(C)c2c1OCCO2 257960344 573179813 /nfs/dbraw/zinc/17/98/13/573179813.db2.gz BSIPPCYGZBPGKH-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN COc1cccc(C[C@@H](C)ON)c1 259360432 573179820 /nfs/dbraw/zinc/17/98/20/573179820.db2.gz FUVUIDRTGJUWRM-MRVPVSSYSA-N 0 0 181.235 1.517 10 0 ADAERN C[C@@]1(CCc2ccccc2)CC(=O)N1 82762445 573179832 /nfs/dbraw/zinc/17/98/32/573179832.db2.gz SZSJUTYRAKKTML-GFCCVEGCSA-N 0 0 189.258 1.898 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(C(=O)[O-])c(O)c1 104681045 573179836 /nfs/dbraw/zinc/17/98/36/573179836.db2.gz YBOJKWFOAJUFKP-MRVPVSSYSA-N 0 0 195.218 1.500 10 0 ADAERN CCC[C@H]([C@@H](C)C(=O)[O-])[NH+](C)C 259360255 573179845 /nfs/dbraw/zinc/17/98/45/573179845.db2.gz FVMIOUUVWUALJV-HTQZYQBOSA-N 0 0 173.256 1.437 10 0 ADAERN OCCCc1c(O)ccc(F)c1F 257960339 573179855 /nfs/dbraw/zinc/17/98/55/573179855.db2.gz BSCVHMFDYOIZFB-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN C[C@@H]1CCC[C@]2(CC(=O)N2)C1 82762422 573179856 /nfs/dbraw/zinc/17/98/56/573179856.db2.gz GPYSMWCBALAGII-VXNVDRBHSA-N 0 0 153.225 1.455 10 0 ADAERN CN[C@H](c1[nH]cnc1C)C(F)(F)F 104680076 573179857 /nfs/dbraw/zinc/17/98/57/573179857.db2.gz NFKCQLBOMILYFH-ZCFIWIBFSA-N 0 0 193.172 1.541 10 0 ADAERN CCO[C@@H]1C(=O)[C@@H]2CCC[C@H]12 238305530 573180124 /nfs/dbraw/zinc/18/01/24/573180124.db2.gz ZHDYRGLPRDUAMJ-FJXKBIBVSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@H](NC(=O)C(C)(C)O)C(C)(C)C 235520108 573179894 /nfs/dbraw/zinc/17/98/94/573179894.db2.gz CMHDREGMBUDWIB-ZETCQYMHSA-N 0 0 187.283 1.308 10 0 ADAERN O=C1C[C@]2(CCOc3ccccc32)N1 82762223 573179895 /nfs/dbraw/zinc/17/98/95/573179895.db2.gz CANVMNUQKUMXQT-NSHDSACASA-N 0 0 189.214 1.184 10 0 ADAERN CNC(=S)n1cc(Cl)c(C)n1 238305929 573179900 /nfs/dbraw/zinc/17/99/00/573179900.db2.gz XMWJYKITMFCFAI-UHFFFAOYSA-N 0 0 189.671 1.197 10 0 ADAERN CNOCCC1CCCC1 258569928 573179905 /nfs/dbraw/zinc/17/99/05/573179905.db2.gz RMWHQQCIZPFJRA-UHFFFAOYSA-N 0 0 143.230 1.718 10 0 ADAERN CC[C@H]1CC[C@@]2(CC(=O)N2)C1 82762411 573179910 /nfs/dbraw/zinc/17/99/10/573179910.db2.gz SFCQDZAZNAPUFI-CBAPKCEASA-N 0 0 153.225 1.455 10 0 ADAERN [NH3+][C@H](c1ccc(C(=O)[O-])nc1)C1CC1 104680722 573179926 /nfs/dbraw/zinc/17/99/26/573179926.db2.gz RTHCTLCYKHJYBC-VIFPVBQESA-N 0 0 192.218 1.190 10 0 ADAERN Cn1ncc2c(C=O)ccc(F)c21 259357321 573180057 /nfs/dbraw/zinc/18/00/57/573180057.db2.gz IJLXIQUJQXZFNE-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cc1cc([C@@H](O)C2=CCCO2)ccn1 235878054 573179944 /nfs/dbraw/zinc/17/99/44/573179944.db2.gz ZNFDHTCRNSPHBI-LLVKDONJSA-N 0 0 191.230 1.728 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1ccncc1 104680953 573180478 /nfs/dbraw/zinc/18/04/78/573180478.db2.gz WDTLDBKVAMJPKJ-QMMMGPOBSA-N 0 0 194.234 1.192 10 0 ADAERN CNC(=S)/C=C/c1ccco1 238305266 573179985 /nfs/dbraw/zinc/17/99/85/573179985.db2.gz VSPIVRBUVBWQKR-SNAWJCMRSA-N 0 0 167.233 1.840 10 0 ADAERN Cc1oncc1Cl 104681161 573180000 /nfs/dbraw/zinc/18/00/00/573180000.db2.gz TWNJKMLIBYBDLS-UHFFFAOYSA-N 0 0 117.535 1.636 10 0 ADAERN COC(=O)C1(F)CCC1 104679805 573180005 /nfs/dbraw/zinc/18/00/05/573180005.db2.gz BVZKDYDBDHLBAZ-UHFFFAOYSA-N 0 0 132.134 1.052 10 0 ADAERN C[C@H](O)[C@@H]([NH3+])c1cccc([S-])c1 104681260 573180027 /nfs/dbraw/zinc/18/00/27/573180027.db2.gz OWNPTIWRPHGLJR-IMTBSYHQSA-N 0 0 183.276 1.356 10 0 ADAERN CC[C@H]1CCC[C@H](O)C1=O 238305663 573180039 /nfs/dbraw/zinc/18/00/39/573180039.db2.gz CRNMPAGGYDOEFF-BQBZGAKWSA-N 0 0 142.198 1.127 10 0 ADAERN CCOC[C@H](C)OC(=O)C1(C)CC1 308292312 573180084 /nfs/dbraw/zinc/18/00/84/573180084.db2.gz FUIMGLGHIAUHQO-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1ccc(C2(C)OCCCO2)cn1 104680828 573180088 /nfs/dbraw/zinc/18/00/88/573180088.db2.gz VJWXYNRDCRPGCD-UHFFFAOYSA-N 0 0 193.246 2.000 10 0 ADAERN CC[C@@]1(C(N)=O)CCCC(C)(C)O1 238306538 573180089 /nfs/dbraw/zinc/18/00/89/573180089.db2.gz RMYMIAUTIDRUDV-JTQLQIEISA-N 0 0 185.267 1.600 10 0 ADAERN CCc1ccccc1[C@@](C)([NH3+])C(=O)[O-] 104682185 573180093 /nfs/dbraw/zinc/18/00/93/573180093.db2.gz AZHYKZPBXVRKKA-LLVKDONJSA-N 0 0 193.246 1.508 10 0 ADAERN CC(C)[C@H]([NH3+])c1cccc(C(=O)[O-])n1 104680213 573180103 /nfs/dbraw/zinc/18/01/03/573180103.db2.gz QCQQXHYFYWBMFC-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN CC[C@H](C)NC(=O)CCC[C@@H](C)O 308293104 573180108 /nfs/dbraw/zinc/18/01/08/573180108.db2.gz ILTGXMGKAVIGMB-DTWKUNHWSA-N 0 0 187.283 1.452 10 0 ADAERN CCc1c(OC)cccc1C(N)=S 238305665 573180118 /nfs/dbraw/zinc/18/01/18/573180118.db2.gz MNSNHQLGSUWNEB-UHFFFAOYSA-N 0 0 195.287 1.892 10 0 ADAERN CC[C@H](C)NC(=O)CCC[C@H](C)O 308293105 573180148 /nfs/dbraw/zinc/18/01/48/573180148.db2.gz ILTGXMGKAVIGMB-IUCAKERBSA-N 0 0 187.283 1.452 10 0 ADAERN CN[C@@H](c1nccn1C)C(F)(F)F 104680078 573180160 /nfs/dbraw/zinc/18/01/60/573180160.db2.gz GHKZYKWOQIIWLI-YFKPBYRVSA-N 0 0 193.172 1.243 10 0 ADAERN COc1nc2ccc(C)cc2nc1N 115317520 573180480 /nfs/dbraw/zinc/18/04/80/573180480.db2.gz KQOOLOXVJQKDSQ-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN Nc1nc2ccccc2cc1O 115308060 573180181 /nfs/dbraw/zinc/18/01/81/573180181.db2.gz VXHIKEMNMTYCTB-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 ADAERN CN[C@@H](c1c[nH]c(C)n1)C(F)(F)F 104680066 573180206 /nfs/dbraw/zinc/18/02/06/573180206.db2.gz FRAYUNPCAARESA-LURJTMIESA-N 0 0 193.172 1.541 10 0 ADAERN Cc1nc2cc(N)c(C3CC3)nc2o1 259603078 573180481 /nfs/dbraw/zinc/18/04/81/573180481.db2.gz DEKKQRGQWHIRRX-UHFFFAOYSA-N 0 0 189.218 1.991 10 0 ADAERN CN1CC[C@@H](O)C(=O)c2ccccc21 238306529 573180229 /nfs/dbraw/zinc/18/02/29/573180229.db2.gz GICGBMQMILRJMR-SNVBAGLBSA-N 0 0 191.230 1.070 10 0 ADAERN CCc1cccc2c1C(=O)OC2 238305336 573180239 /nfs/dbraw/zinc/18/02/39/573180239.db2.gz RCXJCWFTORMBPV-UHFFFAOYSA-N 0 0 162.188 1.919 10 0 ADAERN OCc1[nH]c(=S)n2c1CCCC2 259357924 573180301 /nfs/dbraw/zinc/18/03/01/573180301.db2.gz IMMWDAYHKMQOAE-UHFFFAOYSA-N 0 0 184.264 1.000 10 0 ADAERN Cc1ccc(C(=O)[O-])c([C@H](C)[NH3+])c1 104680501 573180307 /nfs/dbraw/zinc/18/03/07/573180307.db2.gz OXYWQCOSHQJPEF-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN CC[C@H](O)C=C=C[C@H](O)CC 238305739 573180314 /nfs/dbraw/zinc/18/03/14/573180314.db2.gz KRHSMYSIYPSFIC-MWAXWRIZSA-N 0 0 156.225 1.240 10 0 ADAERN CCc1c(OC)cccc1C(=O)NC 238305634 573180324 /nfs/dbraw/zinc/18/03/24/573180324.db2.gz OCQGANQHMOWEFG-UHFFFAOYSA-N 0 0 193.246 1.617 10 0 ADAERN CN[C@H](c1nccn1C)C(F)(F)F 104680081 573180328 /nfs/dbraw/zinc/18/03/28/573180328.db2.gz GHKZYKWOQIIWLI-RXMQYKEDSA-N 0 0 193.172 1.243 10 0 ADAERN CCc1cccnc1[C@H]1COCCN1 104680054 573180353 /nfs/dbraw/zinc/18/03/53/573180353.db2.gz JTMMBMNPGLEHBP-SNVBAGLBSA-N 0 0 192.262 1.305 10 0 ADAERN C[C@H](O)[C@H]1CC(C)(C)CC[C@@H]1O 115307599 573180374 /nfs/dbraw/zinc/18/03/74/573180374.db2.gz ASONTZHSRSCEOJ-YIZRAAEISA-N 0 0 172.268 1.554 10 0 ADAERN COc1c(C)ccc2c1OCCC2=O 104682063 573180379 /nfs/dbraw/zinc/18/03/79/573180379.db2.gz ASJHOURPJLQQJT-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN C[C@H](O)[C@@H]1CC(C)(C)CC[C@@H]1O 115307596 573180398 /nfs/dbraw/zinc/18/03/98/573180398.db2.gz ASONTZHSRSCEOJ-CIUDSAMLSA-N 0 0 172.268 1.554 10 0 ADAERN COc1cc(N)ccc1N=O 104681144 573180399 /nfs/dbraw/zinc/18/03/99/573180399.db2.gz YJMBXNIYJOKKLU-UHFFFAOYSA-N 0 0 152.153 1.675 10 0 ADAERN CC[C@]1(C)C[C@H](C)C(=O)CC1=O 238305451 573180410 /nfs/dbraw/zinc/18/04/10/573180410.db2.gz ZCGXUWJYKYEQGK-OIBJUYFYSA-N 0 0 168.236 1.971 10 0 ADAERN CCO[C@H]1Cc2c(C)ccc(O)c2O1 238305090 573180421 /nfs/dbraw/zinc/18/04/21/573180421.db2.gz LHVAYGZJIAZSLV-SNVBAGLBSA-N 0 0 194.230 1.998 10 0 ADAERN CCO[C@]1(C)OC(=S)NC1(C)C 238306532 573180428 /nfs/dbraw/zinc/18/04/28/573180428.db2.gz WZRZNQDPNRYRER-MRVPVSSYSA-N 0 0 189.280 1.422 10 0 ADAERN C[C@H](O)c1cnc(C[C@@H]2CCOC2)o1 257961424 573180432 /nfs/dbraw/zinc/18/04/32/573180432.db2.gz GLBPOLNKVBVPTL-YUMQZZPRSA-N 0 0 197.234 1.307 10 0 ADAERN CC1(C)COc2ccc(CO)cc2N1 259355898 573180454 /nfs/dbraw/zinc/18/04/54/573180454.db2.gz UPSNUEOHWNRCLB-UHFFFAOYSA-N 0 0 193.246 1.762 10 0 ADAERN CC[C@@]1(C)CC(=O)[C@H](O)C1 238305130 573180474 /nfs/dbraw/zinc/18/04/74/573180474.db2.gz FBPXRPSGBQUFSE-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN Cc1ccc(C(=O)[O-])c([C@@H](C)[NH3+])c1 104680497 573180510 /nfs/dbraw/zinc/18/05/10/573180510.db2.gz OXYWQCOSHQJPEF-SSDOTTSWSA-N 0 0 179.219 1.713 10 0 ADAERN C[C@]([NH3+])(CO)c1cccc([S-])c1 104681270 573180517 /nfs/dbraw/zinc/18/05/17/573180517.db2.gz OFQMKEIGVHFDQU-VIFPVBQESA-N 0 0 183.276 1.142 10 0 ADAERN NO[C@@H]1CCCCS1 257962325 573180553 /nfs/dbraw/zinc/18/05/53/573180553.db2.gz NGEWFFFJOYCOBI-YFKPBYRVSA-N 0 0 133.216 1.120 10 0 ADAERN C[C@@H](CO)C[C@H]1CCOC1 82764620 573180562 /nfs/dbraw/zinc/18/05/62/573180562.db2.gz RDRGCSRVSHNNSB-HTQZYQBOSA-N 0 0 144.214 1.041 10 0 ADAERN COC[C@@H](C)C[C@@H](C)CO 82764522 573180572 /nfs/dbraw/zinc/18/05/72/573180572.db2.gz QCEMJGNHYLXSIA-SFYZADRCSA-N 0 0 146.230 1.287 10 0 ADAERN CCc1cccc2c1C(=O)COC2 238305354 573180574 /nfs/dbraw/zinc/18/05/74/573180574.db2.gz BZJNDFQBVKFNDQ-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN NNSc1ccc(Cl)cc1 259359050 573180592 /nfs/dbraw/zinc/18/05/92/573180592.db2.gz ZKDHAJPGMXQJTH-UHFFFAOYSA-N 0 0 174.656 1.810 10 0 ADAERN CNC(=S)c1cccc(C)n1 238305619 573180627 /nfs/dbraw/zinc/18/06/27/573180627.db2.gz PVJSGYSSLOZXEJ-UHFFFAOYSA-N 0 0 166.249 1.285 10 0 ADAERN N[C@@H](c1ccc(F)nc1)C(F)(F)F 104680151 573180629 /nfs/dbraw/zinc/18/06/29/573180629.db2.gz HIPYQSVVTBRKOV-LURJTMIESA-N 0 0 194.131 1.783 10 0 ADAERN Cc1nn(C)c2cc(C=O)c(F)cc12 259357471 573180630 /nfs/dbraw/zinc/18/06/30/573180630.db2.gz ILAKCJMVJJHIAA-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN COCCCC[C@H](C)CO 82764591 573180648 /nfs/dbraw/zinc/18/06/48/573180648.db2.gz HVCVVDUCUHRQAN-QMMMGPOBSA-N 0 0 146.230 1.432 10 0 ADAERN CC[C@]1(C)NC(=O)C(C)(C)O1 238306020 573180711 /nfs/dbraw/zinc/18/07/11/573180711.db2.gz FXJXHEMNUDELKB-MRVPVSSYSA-N 0 0 157.213 1.038 10 0 ADAERN C[C@@H](O)c1cnc(C[C@@H]2CCOC2)o1 257961423 573180723 /nfs/dbraw/zinc/18/07/23/573180723.db2.gz GLBPOLNKVBVPTL-SFYZADRCSA-N 0 0 197.234 1.307 10 0 ADAERN c1cc2nocc2s1 104679744 573180735 /nfs/dbraw/zinc/18/07/35/573180735.db2.gz FUJIBHVDBGVUNW-UHFFFAOYSA-N 0 0 125.152 1.889 10 0 ADAERN O=C1CNC[C@@H](c2ccccc2)C1 257962147 573180738 /nfs/dbraw/zinc/18/07/38/573180738.db2.gz XMJJMXOIHZXOQY-JTQLQIEISA-N 0 0 175.231 1.333 10 0 ADAERN CSCc1ncc[nH]1 115334086 573180748 /nfs/dbraw/zinc/18/07/48/573180748.db2.gz JHSOUDOTLYNNGB-UHFFFAOYSA-N 0 0 128.200 1.273 10 0 ADAERN O=C1CCc2ccc3c(c21)OCO3 104681328 573180797 /nfs/dbraw/zinc/18/07/97/573180797.db2.gz ALPMFGOLPIAAAZ-UHFFFAOYSA-N 0 0 176.171 1.544 10 0 ADAERN C/C=C(/C)C(=O)N(C)[C@H](C)COC 308294750 573180771 /nfs/dbraw/zinc/18/07/71/573180771.db2.gz HJCXSXXDRYVSEX-JGAIRUGNSA-N 0 0 185.267 1.446 10 0 ADAERN CCC[C@@H]([C@@H](C)C(=O)[O-])[NH+](C)C 259360260 573180790 /nfs/dbraw/zinc/18/07/90/573180790.db2.gz FVMIOUUVWUALJV-SFYZADRCSA-N 0 0 173.256 1.437 10 0 ADAERN C[C@H](N=O)c1ccccn1 225721349 573180878 /nfs/dbraw/zinc/18/08/78/573180878.db2.gz HMGIRLPZUBKIIX-LURJTMIESA-N 0 0 136.154 1.909 10 0 ADAERN CN(C=O)c1cccc2c1NCCC2 238305335 573180903 /nfs/dbraw/zinc/18/09/03/573180903.db2.gz CZPVVPIYQVXPTB-UHFFFAOYSA-N 0 0 190.246 1.637 10 0 ADAERN CC[C@]1(C)NC(=O)C(C)(C)S1 238306029 573180931 /nfs/dbraw/zinc/18/09/31/573180931.db2.gz VSLIOVUIWKSBFE-MRVPVSSYSA-N 0 0 173.281 1.754 10 0 ADAERN CC[C@@]1(C)C=C[C@H](O)C1 238305161 573180940 /nfs/dbraw/zinc/18/09/40/573180940.db2.gz HARUONGTQDLBKA-YUMQZZPRSA-N 0 0 126.199 1.724 10 0 ADAERN CC(=O)[C@H]1COc2cccc(F)c21 257960499 573180947 /nfs/dbraw/zinc/18/09/47/573180947.db2.gz FRYJMZPFAGXAMJ-SSDOTTSWSA-N 0 0 180.178 1.891 10 0 ADAERN Cc1cc(-n2cnnc2)c(C)cc1O 235892218 573180948 /nfs/dbraw/zinc/18/09/48/573180948.db2.gz VUYXJDFQSBUIOW-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN CC[C@@H](CO)c1ccc(O)c(OC)c1 259357164 573180949 /nfs/dbraw/zinc/18/09/49/573180949.db2.gz FUJBXKPMQKQSQX-QMMMGPOBSA-N 0 0 196.246 1.887 10 0 ADAERN CC(C)SCc1cnn(C)c1N 257961743 573180954 /nfs/dbraw/zinc/18/09/54/573180954.db2.gz UIQQISPYRFTNFT-UHFFFAOYSA-N 0 0 185.296 1.644 10 0 ADAERN CC(C)[C@H]([NH3+])c1ccc(C(=O)[O-])cn1 104679585 573180955 /nfs/dbraw/zinc/18/09/55/573180955.db2.gz KUFKFZHQYYQKAU-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN CN1C[C@@H](C(C)(C)O)c2ccccc21 257963832 573180962 /nfs/dbraw/zinc/18/09/62/573180962.db2.gz SXGSDGMQNXRKTM-SNVBAGLBSA-N 0 0 191.274 1.991 10 0 ADAERN CCC(CC)Nc1nccnc1OC 393658865 573180972 /nfs/dbraw/zinc/18/09/72/573180972.db2.gz QDLMQHKHZFOHSK-UHFFFAOYSA-N 0 0 195.266 1.508 10 0 ADAERN CCOC[C@H](C)OC(=O)C=C(C)C 308294434 573180985 /nfs/dbraw/zinc/18/09/85/573180985.db2.gz HFQZPJZIIDYICS-VIFPVBQESA-N 0 0 186.251 1.921 10 0 ADAERN c1cnc2c(c1)ccc1nonc12 104681855 573180988 /nfs/dbraw/zinc/18/09/88/573180988.db2.gz ZRYGINBLNOVUDO-UHFFFAOYSA-N 0 0 171.159 1.771 10 0 ADAERN CCOc1cccc(CCOC)n1 308296102 573180992 /nfs/dbraw/zinc/18/09/92/573180992.db2.gz IEICLZKPEQGEFE-UHFFFAOYSA-N 0 0 181.235 1.669 10 0 ADAERN Cc1cc(C=O)c2n[nH]cc2c1 259603012 573180998 /nfs/dbraw/zinc/18/09/98/573180998.db2.gz ZIRHSGHJQKBDIH-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN CCn1c(=O)[nH]c2cccc(F)c21 257961793 573181033 /nfs/dbraw/zinc/18/10/33/573181033.db2.gz UJKIMFFXDHUXCI-UHFFFAOYSA-N 0 0 180.182 1.489 10 0 ADAERN C[C@@H](CO)Cc1ccoc1 82764706 573181045 /nfs/dbraw/zinc/18/10/45/573181045.db2.gz BRTXVASNEDMURV-SSDOTTSWSA-N 0 0 140.182 1.451 10 0 ADAERN CC[C@H](O)C1=NCc2ccccc2N1 238305628 573181100 /nfs/dbraw/zinc/18/11/00/573181100.db2.gz UWZYSDGTAHJDGY-JTQLQIEISA-N 0 0 190.246 1.591 10 0 ADAERN O=Cc1coc(Cc2ccco2)n1 258238191 573181055 /nfs/dbraw/zinc/18/10/55/573181055.db2.gz WBYCGRXOYWYFJA-UHFFFAOYSA-N 0 0 177.159 1.671 10 0 ADAERN Nc1cccc(-c2nc(C=O)no2)c1 259603008 573181063 /nfs/dbraw/zinc/18/10/63/573181063.db2.gz ZIOGHFXWPNPQEL-UHFFFAOYSA-N 0 0 189.174 1.131 10 0 ADAERN Oc1cccc([C@]2(O)CCOC2)c1 257962181 573181495 /nfs/dbraw/zinc/18/14/95/573181495.db2.gz XMYWAXUBAXBCJH-JTQLQIEISA-N 0 0 180.203 1.000 10 0 ADAERN Nc1cncc(N[C@@H]2CC23CC3)n1 715585454 573181080 /nfs/dbraw/zinc/18/10/80/573181080.db2.gz SDVFBEFDWMBQKZ-ZCFIWIBFSA-N 0 0 176.223 1.023 10 0 ADAERN [NH3+][C@H](c1ncccc1C(=O)[O-])C1CC1 104680015 573181116 /nfs/dbraw/zinc/18/11/16/573181116.db2.gz VDPCPRSVXMEFEF-QMMMGPOBSA-N 0 0 192.218 1.190 10 0 ADAERN CC[C@@]1(C)CC(=O)[C@@H](O)C1 238305600 573181146 /nfs/dbraw/zinc/18/11/46/573181146.db2.gz FBPXRPSGBQUFSE-POYBYMJQSA-N 0 0 142.198 1.127 10 0 ADAERN N[C@@H](c1cncc(O)c1)C(F)(F)F 104681388 573181155 /nfs/dbraw/zinc/18/11/55/573181155.db2.gz LYSJFDJMKWQDGJ-LURJTMIESA-N 0 0 192.140 1.349 10 0 ADAERN Cc1[nH]c2cc(=O)ccn2c1C=O 257962140 573181162 /nfs/dbraw/zinc/18/11/62/573181162.db2.gz XLUADDJAQFXDAM-UHFFFAOYSA-N 0 0 176.175 1.161 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H](C)[C@@H](C)[NH3+] 238793535 573181165 /nfs/dbraw/zinc/18/11/65/573181165.db2.gz OBOCATXSVCZCSV-PRJMDXOYSA-N 0 0 173.256 1.327 10 0 ADAERN CSCCOC(=O)c1cc[nH]c1C 308296173 573181197 /nfs/dbraw/zinc/18/11/97/573181197.db2.gz IFURDBHXMMAKKR-UHFFFAOYSA-N 0 0 199.275 1.843 10 0 ADAERN CC(C)Cc1nnc2cccc(O)n12 257961238 573181206 /nfs/dbraw/zinc/18/12/06/573181206.db2.gz LYXQIROAWKQSAM-UHFFFAOYSA-N 0 0 191.234 1.633 10 0 ADAERN CC(C)(CC(=O)[O-])Nc1cc[nH+]cc1 82771057 573181213 /nfs/dbraw/zinc/18/12/13/573181213.db2.gz XMJCEVLGGLILNZ-UHFFFAOYSA-N 0 0 194.234 1.747 10 0 ADAERN CO[C@H](C)CC(=O)OCC[C@H](C)F 308296092 573181222 /nfs/dbraw/zinc/18/12/22/573181222.db2.gz IDDJSJFLVOPOPN-JGVFFNPUSA-N 0 0 192.230 1.703 10 0 ADAERN CC[C@H](C)C(=O)OCc1c[nH]cn1 308295324 573181239 /nfs/dbraw/zinc/18/12/39/573181239.db2.gz JTCKKSGJQLXKNA-ZETCQYMHSA-N 0 0 182.223 1.499 10 0 ADAERN CN(C)C(=O)NC1C[C@H]2CCC[C@@H]2C1 238306621 573181240 /nfs/dbraw/zinc/18/12/40/573181240.db2.gz ILZGLORWPMDUJO-RKDXNWHRSA-N 0 0 196.294 1.836 10 0 ADAERN CCC(=O)NC(=O)[C@@H](C)CC 238306640 573181255 /nfs/dbraw/zinc/18/12/55/573181255.db2.gz SAAIFKJDTJLZIQ-LURJTMIESA-N 0 0 157.213 1.085 10 0 ADAERN Cc1ccnc(-c2oncc2N)c1 74308860 573181278 /nfs/dbraw/zinc/18/12/78/573181278.db2.gz VLSQPAZJQVSXGK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN OCCCc1ccc(F)c(F)c1O 257960466 573181292 /nfs/dbraw/zinc/18/12/92/573181292.db2.gz BWHQAPIHNRCGFY-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN Cc1c[nH+]c(N)c(C[C@@H](C)CO)c1 82764788 573181304 /nfs/dbraw/zinc/18/13/04/573181304.db2.gz ZYQUAQTUDANLQD-MRVPVSSYSA-N 0 0 180.251 1.143 10 0 ADAERN CCO[C@H]1Oc2cc(C)cc(O)c2O1 238305366 573181354 /nfs/dbraw/zinc/18/13/54/573181354.db2.gz QUHUMGLZVCKHOS-JTQLQIEISA-N 0 0 196.202 1.792 10 0 ADAERN CC[C@H](O)C=C=C(C)C 238305660 573181380 /nfs/dbraw/zinc/18/13/80/573181380.db2.gz BOYJRAKLICGYQD-QMMMGPOBSA-N 0 0 126.199 1.879 10 0 ADAERN C/C=C(\C)C(=O)N(C)[C@H](C)COC 308294749 573181420 /nfs/dbraw/zinc/18/14/20/573181420.db2.gz HJCXSXXDRYVSEX-BNICOGTQSA-N 0 0 185.267 1.446 10 0 ADAERN O=C1CCC[C@]2(CC[C@H](CO)C2)C1 222750958 573181442 /nfs/dbraw/zinc/18/14/42/573181442.db2.gz KGIHTFSGNKZONS-GXSJLCMTSA-N 0 0 182.263 1.908 10 0 ADAERN CCC[C@H]1O[C@H]1CCCO 142137150 573181446 /nfs/dbraw/zinc/18/14/46/573181446.db2.gz QZJVOYLYXSQPQQ-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CCO[C@](C)(CO)C(F)(F)F 238305953 573181480 /nfs/dbraw/zinc/18/14/80/573181480.db2.gz CFPWBZFNLTXIGS-RXMQYKEDSA-N 0 0 172.146 1.336 10 0 ADAERN CC[C@@]1(C)C=C[C@@H](O)C1 238305623 573181489 /nfs/dbraw/zinc/18/14/89/573181489.db2.gz HARUONGTQDLBKA-SFYZADRCSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H](O)c1cnc(C[C@H]2CCOC2)o1 257961422 573181542 /nfs/dbraw/zinc/18/15/42/573181542.db2.gz GLBPOLNKVBVPTL-JGVFFNPUSA-N 0 0 197.234 1.307 10 0 ADAERN CC[C@@]1(C)C(=O)CCCN1C 238305885 573181544 /nfs/dbraw/zinc/18/15/44/573181544.db2.gz MPQHVTHOCWOMFY-VIFPVBQESA-N 0 0 155.241 1.450 10 0 ADAERN CO[C@H](C)Cc1ccccc1N 222643379 573181549 /nfs/dbraw/zinc/18/15/49/573181549.db2.gz MXEZWBWJBWIQAN-MRVPVSSYSA-N 0 0 165.236 1.846 10 0 ADAERN O=C(Nc1cscn1)C1CC1 90195065 573181563 /nfs/dbraw/zinc/18/15/63/573181563.db2.gz GMMCMTROKYZTFG-UHFFFAOYSA-N 0 0 168.221 1.492 10 0 ADAERN CCC[C@H]([C@H](C)C(=O)[O-])[NH+](C)C 259360257 573181564 /nfs/dbraw/zinc/18/15/64/573181564.db2.gz FVMIOUUVWUALJV-JGVFFNPUSA-N 0 0 173.256 1.437 10 0 ADAERN CCO[C@@H]1C(=O)[C@H]2CCCC[C@@H]21 238305502 573181566 /nfs/dbraw/zinc/18/15/66/573181566.db2.gz LPFPHLLBALDTLV-NRPADANISA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1CC=C(CO)CC1 142156679 573181592 /nfs/dbraw/zinc/18/15/92/573181592.db2.gz NCPHPTITMSZJNO-SSDOTTSWSA-N 0 0 126.199 1.725 10 0 ADAERN C/C=C/C(=O)NCC1(C(F)F)CC1 308295885 573181604 /nfs/dbraw/zinc/18/16/04/573181604.db2.gz JXNIVGTXNCQQDV-NSCUHMNNSA-N 0 0 189.205 1.724 10 0 ADAERN CO[C@H](C)CCNc1nc(C)no1 308294587 573181614 /nfs/dbraw/zinc/18/16/14/573181614.db2.gz RRLLCJYHNCVJEF-ZCFIWIBFSA-N 0 0 185.227 1.215 10 0 ADAERN COc1cccc2c1[C@H]([C@@H](C)O)CO2 257960525 573181618 /nfs/dbraw/zinc/18/16/18/573181618.db2.gz FSKZBZDMMZAVIH-SFYZADRCSA-N 0 0 194.230 1.552 10 0 ADAERN C/C=C\COC(=O)[C@H](O)[C@@H](C)CC 308295119 573181630 /nfs/dbraw/zinc/18/16/30/573181630.db2.gz JPZPSDOOPDOJCL-VGEAGSPOSA-N 0 0 186.251 1.513 10 0 ADAERN CN1C[C@H](C(C)(C)O)c2ccccc21 257963828 573181648 /nfs/dbraw/zinc/18/16/48/573181648.db2.gz SXGSDGMQNXRKTM-JTQLQIEISA-N 0 0 191.274 1.991 10 0 ADAERN CC1(C(=O)OCCC2(O)CC2)CC1 308295031 573181682 /nfs/dbraw/zinc/18/16/82/573181682.db2.gz JOGCOSCORWEQCS-UHFFFAOYSA-N 0 0 184.235 1.245 10 0 ADAERN OCCc1cnc([C@H]2CCSC2)o1 258238072 573181704 /nfs/dbraw/zinc/18/17/04/573181704.db2.gz VZDYWRSNRLRUOC-ZETCQYMHSA-N 0 0 199.275 1.430 10 0 ADAERN CCc1c(OC)cccc1C(N)=O 115313131 573181716 /nfs/dbraw/zinc/18/17/16/573181716.db2.gz ZAAPDUHYPILGDZ-UHFFFAOYSA-N 0 0 179.219 1.357 10 0 ADAERN CCCc1nc2cc(N)ccn2n1 257961249 573181735 /nfs/dbraw/zinc/18/17/35/573181735.db2.gz LZFJCSHORHKPLH-UHFFFAOYSA-N 0 0 176.223 1.264 10 0 ADAERN C[C@@H]1C[C@@H]1CC(=O)O[C@H]1CCOC1 308294715 573181737 /nfs/dbraw/zinc/18/17/37/573181737.db2.gz JNIXYAZJQHBKOI-HLTSFMKQSA-N 0 0 184.235 1.365 10 0 ADAERN FC(F)(F)c1cnnc(Cl)n1 257961088 573181800 /nfs/dbraw/zinc/18/18/00/573181800.db2.gz XKKQIUIWBSEOML-UHFFFAOYSA-N 0 0 183.520 1.544 10 0 ADAERN C/C=C\C(=O)OCCCOC(C)C 308294325 573181818 /nfs/dbraw/zinc/18/18/18/573181818.db2.gz JGHPEZNYLCFTIC-XQRVVYSFSA-N 0 0 186.251 1.921 10 0 ADAERN CCNC(=O)[C@]1(C)CC1(Cl)Cl 115313566 573181825 /nfs/dbraw/zinc/18/18/25/573181825.db2.gz HNPPFRWGRFLISN-LURJTMIESA-N 0 0 196.077 1.706 10 0 ADAERN CC[C@@H](C)C(=O)OCc1c[nH]cn1 308295323 573181829 /nfs/dbraw/zinc/18/18/29/573181829.db2.gz JTCKKSGJQLXKNA-SSDOTTSWSA-N 0 0 182.223 1.499 10 0 ADAERN N[C@@H](c1cccc(=O)[nH]1)C(F)(F)F 104682649 573181842 /nfs/dbraw/zinc/18/18/42/573181842.db2.gz PTHMRMUDNSYPMJ-LURJTMIESA-N 0 0 192.140 1.349 10 0 ADAERN O=C([O-])c1cccc(F)c1[C@@H]1CC[NH2+]1 104684947 573181848 /nfs/dbraw/zinc/18/18/48/573181848.db2.gz ALENHEMSBWXLHL-QMMMGPOBSA-N 0 0 195.193 1.558 10 0 ADAERN C/C=C/CCNC(=O)NCC1CC1 308295681 573181869 /nfs/dbraw/zinc/18/18/69/573181869.db2.gz JUMVSOMMTBIJJY-NSCUHMNNSA-N 0 0 182.267 1.662 10 0 ADAERN CNC(=S)n1ccc2ccccc21 238305958 573181890 /nfs/dbraw/zinc/18/18/90/573181890.db2.gz OZDZBPYDBHFLLO-UHFFFAOYSA-N 0 0 190.271 1.994 10 0 ADAERN C=CC=C=C[C@@H](O)CC 238305717 573181899 /nfs/dbraw/zinc/18/18/99/573181899.db2.gz HERPPMNDUVUTBK-XDKWHASVSA-N 0 0 124.183 1.655 10 0 ADAERN COc1cccc2c1[C@H](OC)C2 258572138 573181903 /nfs/dbraw/zinc/18/19/03/573181903.db2.gz ROZCDELKVFOWIR-SECBINFHSA-N 0 0 164.204 1.939 10 0 ADAERN CCO[C@H]1Cc2c(ccc(O)c2C)O1 238305080 573181918 /nfs/dbraw/zinc/18/19/18/573181918.db2.gz YEJAVFRXUJOUIC-LLVKDONJSA-N 0 0 194.230 1.998 10 0 ADAERN OCc1cc([C@@H]2CCCS2)[nH]n1 259359189 573181927 /nfs/dbraw/zinc/18/19/27/573181927.db2.gz USIYVUJZCFQUPD-QMMMGPOBSA-N 0 0 184.264 1.470 10 0 ADAERN CC[C@H](O)C1=C(C)C1 238305156 573181930 /nfs/dbraw/zinc/18/19/30/573181930.db2.gz IHGKIUSVZJSKHL-ZETCQYMHSA-N 0 0 112.172 1.478 10 0 ADAERN CCO[C@@H]1C(=O)[C@@H]2CCCC[C@H]12 238305508 573181953 /nfs/dbraw/zinc/18/19/53/573181953.db2.gz LPFPHLLBALDTLV-WEDXCCLWSA-N 0 0 168.236 1.781 10 0 ADAERN CC(C)N1CCc2cccc(CO)c21 257961820 573181966 /nfs/dbraw/zinc/18/19/66/573181966.db2.gz SUIYCPBDYCGXHM-UHFFFAOYSA-N 0 0 191.274 1.950 10 0 ADAERN CC(C)(C)[C@H]([NH3+])/C=C/C(=O)[O-] 259357672 573181970 /nfs/dbraw/zinc/18/19/70/573181970.db2.gz KBITVWMMGIZFCU-BMMSZFGTSA-N 0 0 157.213 1.001 10 0 ADAERN O=C1NNC[C@@H](C2CCCCC2)O1 257961097 573181981 /nfs/dbraw/zinc/18/19/81/573181981.db2.gz XKLFQJDHKKBLRZ-QMMMGPOBSA-N 0 0 184.239 1.180 10 0 ADAERN COC(=O)c1cnn(C2CCCC2)c1 104685298 573181982 /nfs/dbraw/zinc/18/19/82/573181982.db2.gz CMBOGZFRIUULGO-UHFFFAOYSA-N 0 0 194.234 1.785 10 0 ADAERN CNOCCOc1ccccc1F 257962331 573181988 /nfs/dbraw/zinc/18/19/88/573181988.db2.gz NGICTVJPOQHXCH-UHFFFAOYSA-N 0 0 185.198 1.356 10 0 ADAERN Oc1cccc(C2=CCOC2)c1 258572311 573182002 /nfs/dbraw/zinc/18/20/02/573182002.db2.gz RRLMMBUHAUKSAV-UHFFFAOYSA-N 0 0 162.188 1.806 10 0 ADAERN C[C@]1(F)CCc2onc(CO)c21 258572299 573182010 /nfs/dbraw/zinc/18/20/10/573182010.db2.gz RRFUKANLDWYWEW-QMMMGPOBSA-N 0 0 171.171 1.298 10 0 ADAERN CN1CC[C@@H](CCO)c2ccccc21 238305209 573182015 /nfs/dbraw/zinc/18/20/15/573182015.db2.gz OIWSWQPBSJRXQJ-JTQLQIEISA-N 0 0 191.274 1.993 10 0 ADAERN C/C=C/[C@H](O)C1(SC)CC1 642865518 573182020 /nfs/dbraw/zinc/18/20/20/573182020.db2.gz GVOWUJHBNMUUTJ-SDLBARTOSA-N 0 0 158.266 1.819 10 0 ADAERN CCc1cccc2c1CC[C@H](CO)N2 238305955 573182024 /nfs/dbraw/zinc/18/20/24/573182024.db2.gz COENLZYZTSJWCW-SNVBAGLBSA-N 0 0 191.274 1.968 10 0 ADAERN CC[C@H](O)C1([C@H](O)CC)CC1 238305088 573182044 /nfs/dbraw/zinc/18/20/44/573182044.db2.gz KANKVSQHATYZFL-OCAPTIKFSA-N 0 0 158.241 1.308 10 0 ADAERN CCO[C@@H]1CC(=O)[C@]2(C)C[C@@H]2C1 238305018 573182060 /nfs/dbraw/zinc/18/20/60/573182060.db2.gz FYUDXJBZTLJQDA-OYNCUSHFSA-N 0 0 168.236 1.781 10 0 ADAERN OCC(F)(F)C[C@@H]1CCSC1 257961130 573182061 /nfs/dbraw/zinc/18/20/61/573182061.db2.gz XKWNOQJPSPCXNK-LURJTMIESA-N 0 0 182.235 1.757 10 0 ADAERN CCO[C@@H](C)C[C@H](O)CC 238305804 573182067 /nfs/dbraw/zinc/18/20/67/573182067.db2.gz IXKWCKFZZHQRGH-JGVFFNPUSA-N 0 0 146.230 1.572 10 0 ADAERN NO[C@H]1CCCCS1 257962323 573182069 /nfs/dbraw/zinc/18/20/69/573182069.db2.gz NGEWFFFJOYCOBI-RXMQYKEDSA-N 0 0 133.216 1.120 10 0 ADAERN COC(=O)CCCc1cccc(N)c1 142141071 573182076 /nfs/dbraw/zinc/18/20/76/573182076.db2.gz RETKACCIRYSPRC-UHFFFAOYSA-N 0 0 193.246 1.765 10 0 ADAERN C[C@@H](CO)CC[C@@H]1CCCO1 82764600 573182092 /nfs/dbraw/zinc/18/20/92/573182092.db2.gz OQRIPORTSHKJKB-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CO[C@@H]1CCOc2cc(N)ccc21 257960992 573182093 /nfs/dbraw/zinc/18/20/93/573182093.db2.gz XJMXWNHTOKUFLT-SECBINFHSA-N 0 0 179.219 1.739 10 0 ADAERN C/C=C\CN(C)Cc1nnc(C)[nH]1 308294679 573182104 /nfs/dbraw/zinc/18/21/04/573182104.db2.gz JKLMQUQVZACFDB-PLNGDYQASA-N 0 0 180.255 1.121 10 0 ADAERN CC1(C)[C@@H](C(=O)[O-])CC[N@@H+]1C1CC1 259359831 573182106 /nfs/dbraw/zinc/18/21/06/573182106.db2.gz KDWUWAUCWMJNIJ-MRVPVSSYSA-N 0 0 183.251 1.334 10 0 ADAERN Nc1ccc2c(c1F)OCCC2=O 104683799 573182109 /nfs/dbraw/zinc/18/21/09/573182109.db2.gz OLZHLFSMKJZNNP-UHFFFAOYSA-N 0 0 181.166 1.373 10 0 ADAERN CC[C@H](O)C1([C@@H](O)CC)CC1 238305078 573182133 /nfs/dbraw/zinc/18/21/33/573182133.db2.gz KANKVSQHATYZFL-YUMQZZPRSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@@H](CO)Cc1cccc(F)c1 82764588 573182139 /nfs/dbraw/zinc/18/21/39/573182139.db2.gz GKLFFNRFNOHOJB-MRVPVSSYSA-N 0 0 168.211 1.997 10 0 ADAERN CCCCC[C@@H](O)OC 142100707 573182155 /nfs/dbraw/zinc/18/21/55/573182155.db2.gz ZVASAJVVZVMTOR-ZETCQYMHSA-N 0 0 132.203 1.532 10 0 ADAERN CCN1CCC[C@H]1c1nc(C=O)co1 257961440 573182156 /nfs/dbraw/zinc/18/21/56/573182156.db2.gz GLLIQERGSUWYHV-VIFPVBQESA-N 0 0 194.234 1.644 10 0 ADAERN COc1cc2c(cc1O)OCCC2=O 104685267 573182162 /nfs/dbraw/zinc/18/21/62/573182162.db2.gz RDTRLIQWKYRECM-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN CCOCCOC(=O)/C=C/C(C)C 308296250 573182171 /nfs/dbraw/zinc/18/21/71/573182171.db2.gz IHUFIJRETNNLOY-AATRIKPKSA-N 0 0 186.251 1.778 10 0 ADAERN CC[C@H](CO)c1ccc(O)c(OC)c1 259357160 573182177 /nfs/dbraw/zinc/18/21/77/573182177.db2.gz FUJBXKPMQKQSQX-MRVPVSSYSA-N 0 0 196.246 1.887 10 0 ADAERN Cc1c(O)ccc2c1C(=O)CCO2 104683768 573182180 /nfs/dbraw/zinc/18/21/80/573182180.db2.gz XZQLMOJLYXYTBG-UHFFFAOYSA-N 0 0 178.187 1.666 10 0 ADAERN C/C=C/C(=O)NCC(F)(F)C1CC1 308295225 573182183 /nfs/dbraw/zinc/18/21/83/573182183.db2.gz JQYZMFZUTAGOOP-NSCUHMNNSA-N 0 0 189.205 1.724 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)O[C@@H]1CCOC1 308294716 573182189 /nfs/dbraw/zinc/18/21/89/573182189.db2.gz JNIXYAZJQHBKOI-HRDYMLBCSA-N 0 0 184.235 1.365 10 0 ADAERN Nc1cnnc(C[C@@H]2CCCS2)c1 259358907 573182197 /nfs/dbraw/zinc/18/21/97/573182197.db2.gz GTTLKUOZOQWUSJ-VIFPVBQESA-N 0 0 195.291 1.497 10 0 ADAERN CCCCc1cc(=O)cc[nH]1 90195975 573182206 /nfs/dbraw/zinc/18/22/06/573182206.db2.gz UNKOIBYNQBXIMV-UHFFFAOYSA-N 0 0 151.209 1.718 10 0 ADAERN CO[C@@H](C)CC(=O)OCC[C@@H](C)F 308296093 573182224 /nfs/dbraw/zinc/18/22/24/573182224.db2.gz IDDJSJFLVOPOPN-SFYZADRCSA-N 0 0 192.230 1.703 10 0 ADAERN Cc1coc(C)c1C(=O)CN(C)C 104683570 573182226 /nfs/dbraw/zinc/18/22/26/573182226.db2.gz FAECTKPMANPMMU-UHFFFAOYSA-N 0 0 181.235 1.641 10 0 ADAERN Cc1cc(N)cc2c1C(=O)CCO2 104683747 573182641 /nfs/dbraw/zinc/18/26/41/573182641.db2.gz PBDPTYFBGQJOPZ-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN C1CCC2=C(C1)COC2 104682445 573182264 /nfs/dbraw/zinc/18/22/64/573182264.db2.gz SZKKFVFRSWVKPY-UHFFFAOYSA-N 0 0 124.183 1.887 10 0 ADAERN CC(C)C[C@H](O)[C@@H]1CCCC[C@@H]1O 115307632 573182282 /nfs/dbraw/zinc/18/22/82/573182282.db2.gz CBAWGSXVHCATED-VWYCJHECSA-N 0 0 186.295 1.945 10 0 ADAERN Cc1ccccc1[C@@H]1CN(C)C(=O)N1 259358000 573182292 /nfs/dbraw/zinc/18/22/92/573182292.db2.gz INADXLPOVQFEKK-JTQLQIEISA-N 0 0 190.246 1.691 10 0 ADAERN ONCc1cc(O)c(F)cc1F 257961508 573182308 /nfs/dbraw/zinc/18/23/08/573182308.db2.gz GWXWUJFVACQNNI-UHFFFAOYSA-N 0 0 175.134 1.149 10 0 ADAERN COc1cc(N)ccc1OC(C)=O 115332009 573182648 /nfs/dbraw/zinc/18/26/48/573182648.db2.gz MPDOIIJUXYHTJH-UHFFFAOYSA-N 0 0 181.191 1.203 10 0 ADAERN CC(=O)Nc1ccccc1N(C)C=O 238305122 573182316 /nfs/dbraw/zinc/18/23/16/573182316.db2.gz ZMAQUUXGBMYALL-UHFFFAOYSA-N 0 0 192.218 1.238 10 0 ADAERN Nc1cnnc([C@@H]2CCSC2)c1 259356901 573182346 /nfs/dbraw/zinc/18/23/46/573182346.db2.gz FQSSAXQTKZOSGZ-ZCFIWIBFSA-N 0 0 181.264 1.279 10 0 ADAERN CCON(C)C(=O)C(C)(C)C(F)F 308294861 573182347 /nfs/dbraw/zinc/18/23/47/573182347.db2.gz HNUWYBYANMNKCD-UHFFFAOYSA-N 0 0 195.209 1.688 10 0 ADAERN O=C([O-])c1cccc([C@@H]2CC[NH2+]2)c1F 104682889 573182370 /nfs/dbraw/zinc/18/23/70/573182370.db2.gz AOHIEECRAJWMQE-QMMMGPOBSA-N 0 0 195.193 1.558 10 0 ADAERN CCc1cccc2c1N[C@H](CO)CC2 238305010 573182383 /nfs/dbraw/zinc/18/23/83/573182383.db2.gz BCOQFMCQSWSBMS-NSHDSACASA-N 0 0 191.274 1.968 10 0 ADAERN CCO/C=C\C(=O)N[C@@H](C)C1CC1 308294455 573182385 /nfs/dbraw/zinc/18/23/85/573182385.db2.gz HHDSSVXXEDJLCU-UAPHAKCISA-N 0 0 183.251 1.451 10 0 ADAERN C[C@H](CO)Cc1cccs1 82764711 573182397 /nfs/dbraw/zinc/18/23/97/573182397.db2.gz QTTLTIYCZIWHHS-ZETCQYMHSA-N 0 0 156.250 1.919 10 0 ADAERN CCc1cccc2c1C[C@H](CO)N2 238305967 573182402 /nfs/dbraw/zinc/18/24/02/573182402.db2.gz ANQAHWMJXIUEQZ-SECBINFHSA-N 0 0 177.247 1.578 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(N)c(C(=O)[O-])c1 104682281 573182412 /nfs/dbraw/zinc/18/24/12/573182412.db2.gz LFGGDPABEIVNCY-MRVPVSSYSA-N 0 0 194.234 1.377 10 0 ADAERN COc1cccc2c1[C@@H]([C@H](C)O)CO2 257960523 573182433 /nfs/dbraw/zinc/18/24/33/573182433.db2.gz FSKZBZDMMZAVIH-JGVFFNPUSA-N 0 0 194.230 1.552 10 0 ADAERN C/C=C/C(=O)OCCCOC(C)C 308294324 573182493 /nfs/dbraw/zinc/18/24/93/573182493.db2.gz JGHPEZNYLCFTIC-GQCTYLIASA-N 0 0 186.251 1.921 10 0 ADAERN Nc1cnoc1-c1cccc(O)c1 257961128 573182504 /nfs/dbraw/zinc/18/25/04/573182504.db2.gz XKUPYRATSSZTLW-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN CO[C@H]1Cc2cccc(O)c2C1 258572250 573182520 /nfs/dbraw/zinc/18/25/20/573182520.db2.gz RQPSKOQHSADQCL-QMMMGPOBSA-N 0 0 164.204 1.506 10 0 ADAERN Nc1oncc1-c1cc(F)ccc1O 257962486 573182522 /nfs/dbraw/zinc/18/25/22/573182522.db2.gz BWRSADGGBAIBKH-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN Nc1ccc([C@H]2CC[NH2+]2)cc1C(=O)[O-] 104683231 573182531 /nfs/dbraw/zinc/18/25/31/573182531.db2.gz HJMHESLALCMNHJ-SECBINFHSA-N 0 0 192.218 1.001 10 0 ADAERN Cc1cc(C(=O)CN(C)C)c(C)o1 104683567 573182554 /nfs/dbraw/zinc/18/25/54/573182554.db2.gz OIJMETFYWJHWRH-UHFFFAOYSA-N 0 0 181.235 1.641 10 0 ADAERN CCON(C)C(=O)[C@@H]1C[C@@]1(C)CC 308296346 573182557 /nfs/dbraw/zinc/18/25/57/573182557.db2.gz IJRVYDNPAKFJTN-WCBMZHEXSA-N 0 0 185.267 1.833 10 0 ADAERN O=C1CCc2c1ccc1c2CCN1 104683093 573182568 /nfs/dbraw/zinc/18/25/68/573182568.db2.gz NABSICAATMDQGE-UHFFFAOYSA-N 0 0 173.215 1.784 10 0 ADAERN Cc1c(N)ccc2c1C(=O)CCO2 104684269 573182578 /nfs/dbraw/zinc/18/25/78/573182578.db2.gz DZTRUPAHLGVFPP-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN CCc1cccc([C@](C)([NH3+])C(=O)[O-])c1 104682735 573182586 /nfs/dbraw/zinc/18/25/86/573182586.db2.gz TXLQHNZQSFATQA-NSHDSACASA-N 0 0 193.246 1.508 10 0 ADAERN O=c1[nH]ccc2c(F)cc(F)cc12 82767307 573182599 /nfs/dbraw/zinc/18/25/99/573182599.db2.gz UPMMWGJWLOPPCY-UHFFFAOYSA-N 0 0 181.141 1.806 10 0 ADAERN CC[C@H](O)C=C=C[C@@H](O)CC 238305729 573182711 /nfs/dbraw/zinc/18/27/11/573182711.db2.gz KRHSMYSIYPSFIC-GUKZYTMHSA-N 0 0 156.225 1.240 10 0 ADAERN CSCC(=O)NC[C@@H]1C[C@@H]1C1CC1 308294770 573182715 /nfs/dbraw/zinc/18/27/15/573182715.db2.gz HKGAGYPZAMWUFD-DTWKUNHWSA-N 0 0 199.319 1.512 10 0 ADAERN COc1ccc(O)c2c1C(=O)CCO2 104685271 573182736 /nfs/dbraw/zinc/18/27/36/573182736.db2.gz GAEZSLYXCUANJD-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN O=C([O-])c1cc([C@@H]2CC[NH2+]2)ccc1F 104682870 573182747 /nfs/dbraw/zinc/18/27/47/573182747.db2.gz CYIUBLYDGVHBPN-VIFPVBQESA-N 0 0 195.193 1.558 10 0 ADAERN Cc1c[nH+]c(N)c(C[C@H](C)CO)c1 82764789 573182749 /nfs/dbraw/zinc/18/27/49/573182749.db2.gz ZYQUAQTUDANLQD-QMMMGPOBSA-N 0 0 180.251 1.143 10 0 ADAERN c1ccc2c(c1)CN1CCCN1C2 104684562 573182765 /nfs/dbraw/zinc/18/27/65/573182765.db2.gz PMBQBLIFSCTLEL-UHFFFAOYSA-N 0 0 174.247 1.623 10 0 ADAERN C[C@H](O)c1cc(F)c(O)c(F)c1 257961522 573182784 /nfs/dbraw/zinc/18/27/84/573182784.db2.gz GXEGYGUUYFEYKA-BYPYZUCNSA-N 0 0 174.146 1.724 10 0 ADAERN C/C=C(/C)C(=O)N(C)[C@@H](C)COC 308294752 573182794 /nfs/dbraw/zinc/18/27/94/573182794.db2.gz HJCXSXXDRYVSEX-XZLDQRQTSA-N 0 0 185.267 1.446 10 0 ADAERN CONCc1ccc(C(C)(C)O)cc1 259356962 573182797 /nfs/dbraw/zinc/18/27/97/573182797.db2.gz IGBNMWHJYICGHG-UHFFFAOYSA-N 0 0 195.262 1.565 10 0 ADAERN Cc1ccc(O)c2c1C(=O)CCO2 104683757 573182802 /nfs/dbraw/zinc/18/28/02/573182802.db2.gz ZCJSHEMCPWRHDO-UHFFFAOYSA-N 0 0 178.187 1.666 10 0 ADAERN C[C@@H](CO)CC1CC1 82764632 573182803 /nfs/dbraw/zinc/18/28/03/573182803.db2.gz OBLPBQPCPDIYSA-ZCFIWIBFSA-N 0 0 114.188 1.415 10 0 ADAERN CCO[C@@H](C)C[C@@H](O)CC 238305681 573182805 /nfs/dbraw/zinc/18/28/05/573182805.db2.gz IXKWCKFZZHQRGH-YUMQZZPRSA-N 0 0 146.230 1.572 10 0 ADAERN CNC(=S)c1ccc(O)c(C)c1C 238305551 573182813 /nfs/dbraw/zinc/18/28/13/573182813.db2.gz JARSFZOWWFTYAY-UHFFFAOYSA-N 0 0 195.287 1.904 10 0 ADAERN CC(=O)[C@@H]1COc2cccc(F)c21 257960501 573182828 /nfs/dbraw/zinc/18/28/28/573182828.db2.gz FRYJMZPFAGXAMJ-ZETCQYMHSA-N 0 0 180.178 1.891 10 0 ADAERN CC[C@]1(C)NC(=O)O[C@H]1C(F)(F)F 238306265 573184843 /nfs/dbraw/zinc/18/48/43/573184843.db2.gz ONOAGYORNPZDLQ-XINAWCOVSA-N 0 0 197.156 1.826 10 0 ADAERN CC1(C)CC(=O)N(C(C)(C)C)C(=O)N1 82770804 573185602 /nfs/dbraw/zinc/18/56/02/573185602.db2.gz TYUZBMYATCZWJW-UHFFFAOYSA-N 0 0 198.266 1.505 10 0 ADAERN CO[C@@H](C)c1ccc(CCO)cc1 257963166 573186007 /nfs/dbraw/zinc/18/60/07/573186007.db2.gz HDSZXQGFDOOQAJ-VIFPVBQESA-N 0 0 180.247 1.929 10 0 ADAERN [NH3+][C@@H]1CCc2c1ccc(C(=O)[O-])c2O 104685202 573185568 /nfs/dbraw/zinc/18/55/68/573185568.db2.gz NJYYHKVJJBGBQQ-MRVPVSSYSA-N 0 0 193.202 1.036 10 0 ADAERN CC[C@]1(C)NC(=O)O[C@@H]1C(F)(F)F 238306258 573185573 /nfs/dbraw/zinc/18/55/73/573185573.db2.gz ONOAGYORNPZDLQ-NJGYIYPDSA-N 0 0 197.156 1.826 10 0 ADAERN CCc1cc(C(=O)[O-])ccc1[C@@H](C)[NH3+] 104683912 573185594 /nfs/dbraw/zinc/18/55/94/573185594.db2.gz LIYMCVFHMOUVTP-SSDOTTSWSA-N 0 0 193.246 1.967 10 0 ADAERN CCc1c(F)cccc1CON 238300148 573188051 /nfs/dbraw/zinc/18/80/51/573188051.db2.gz LTUFAJAISIXZQH-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN Nc1cccc(OCC[NH+]2CCC2)c1 308300780 573185885 /nfs/dbraw/zinc/18/58/85/573185885.db2.gz OPYWBJNMXBACCU-UHFFFAOYSA-N 0 0 192.262 1.353 10 0 ADAERN C[C@@H](N)c1nnc(N[C@H]2CC23CC3)o1 715592291 573185899 /nfs/dbraw/zinc/18/58/99/573185899.db2.gz OMRVMVDTNWJKHI-RITPCOANSA-N 0 0 194.238 1.054 10 0 ADAERN C[C@H](CO)C[C@H]1CCOC1 82764619 573185908 /nfs/dbraw/zinc/18/59/08/573185908.db2.gz RDRGCSRVSHNNSB-JGVFFNPUSA-N 0 0 144.214 1.041 10 0 ADAERN Cc1cc(-n2cncn2)c(N)cc1F 235892135 573185911 /nfs/dbraw/zinc/18/59/11/573185911.db2.gz NTNCGQNHALNOFH-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN C[C@@H](CO)CC[C@H]1CCCO1 82764602 573184694 /nfs/dbraw/zinc/18/46/94/573184694.db2.gz OQRIPORTSHKJKB-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN c1ccc2c(c1)ccn1nncc21 104682992 573184696 /nfs/dbraw/zinc/18/46/96/573184696.db2.gz XCVPMMWIJGPHBM-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN COc1nc2ccc(F)cc2nc1N 115317843 573184698 /nfs/dbraw/zinc/18/46/98/573184698.db2.gz DHCRSPJJJZPIQV-UHFFFAOYSA-N 0 0 193.181 1.360 10 0 ADAERN Cn1c(N)cnc1Oc1cccnc1 257960654 573184702 /nfs/dbraw/zinc/18/47/02/573184702.db2.gz YERLOSNWWAVQSL-UHFFFAOYSA-N 0 0 190.206 1.190 10 0 ADAERN Cc1ccc2c(c1O)OCCC2=O 104683795 573184706 /nfs/dbraw/zinc/18/47/06/573184706.db2.gz AQCRSTOKYPCYDO-UHFFFAOYSA-N 0 0 178.187 1.666 10 0 ADAERN O=C1NNC[C@H](C2CCCCC2)O1 257961092 573184711 /nfs/dbraw/zinc/18/47/11/573184711.db2.gz XKLFQJDHKKBLRZ-MRVPVSSYSA-N 0 0 184.239 1.180 10 0 ADAERN COc1cnc2cc(CO)ccc2n1 257960448 573184782 /nfs/dbraw/zinc/18/47/82/573184782.db2.gz BWBFSOOBSZMAQF-UHFFFAOYSA-N 0 0 190.202 1.131 10 0 ADAERN Nc1cccc2c1C(=O)CCO2 104683753 573184826 /nfs/dbraw/zinc/18/48/26/573184826.db2.gz FUGIOMGOCFXZBG-UHFFFAOYSA-N 0 0 163.176 1.234 10 0 ADAERN CC(C)[C@H]([NH3+])c1ccc(C(=O)[O-])nc1 104682265 573184834 /nfs/dbraw/zinc/18/48/34/573184834.db2.gz MQSSYSBYOJJHGM-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN C/C=C\COC(=O)[C@H](O)[C@H](C)CC 308295108 573184835 /nfs/dbraw/zinc/18/48/35/573184835.db2.gz JPZPSDOOPDOJCL-FXFQRMSGSA-N 0 0 186.251 1.513 10 0 ADAERN c1[nH]cc2c1COC2 90194930 573184836 /nfs/dbraw/zinc/18/48/36/573184836.db2.gz GMKSSCADOOMELY-UHFFFAOYSA-N 0 0 109.128 1.045 10 0 ADAERN OCc1c(F)ccc2c1OCCCO2 257962460 573184849 /nfs/dbraw/zinc/18/48/49/573184849.db2.gz BWJXJQVOBMUZKA-UHFFFAOYSA-N 0 0 198.193 1.479 10 0 ADAERN O=c1[nH]nc2cccc(Cl)n12 258572252 573184865 /nfs/dbraw/zinc/18/48/65/573184865.db2.gz RQTUAUAXMDZODB-UHFFFAOYSA-N 0 0 169.571 1.088 10 0 ADAERN Nc1ccc2c(O)cccc2n1 115308075 573184868 /nfs/dbraw/zinc/18/48/68/573184868.db2.gz JHUPRBCZHSHQPU-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 ADAERN Cc1ccc(N)c([C@@H]([NH3+])CC(=O)[O-])c1 104682839 573184902 /nfs/dbraw/zinc/18/49/02/573184902.db2.gz PFMGGGOIPVAHKW-VIFPVBQESA-N 0 0 194.234 1.052 10 0 ADAERN C[C@@]1(F)CCc2onc(CO)c21 258572288 573184903 /nfs/dbraw/zinc/18/49/03/573184903.db2.gz RRFUKANLDWYWEW-MRVPVSSYSA-N 0 0 171.171 1.298 10 0 ADAERN CCc1ccc(C)cc1[C@H]([NH3+])C(=O)[O-] 104684390 573184913 /nfs/dbraw/zinc/18/49/13/573184913.db2.gz LHRWAYUVZOZBEO-JTQLQIEISA-N 0 0 193.246 1.642 10 0 ADAERN C/C=C/[C@@H](O)CC(=O)SCC 219168751 573184916 /nfs/dbraw/zinc/18/49/16/573184916.db2.gz UKKCKJGUCXDKSR-OHCKJTPYSA-N 0 0 174.265 1.593 10 0 ADAERN Nc1cnnc(C[C@H]2CCCS2)c1 259358904 573184928 /nfs/dbraw/zinc/18/49/28/573184928.db2.gz GTTLKUOZOQWUSJ-SECBINFHSA-N 0 0 195.291 1.497 10 0 ADAERN Cc1cccc(C(=O)CN(C)C)n1 104684976 573184937 /nfs/dbraw/zinc/18/49/37/573184937.db2.gz QOUBEPVOKFTAPL-UHFFFAOYSA-N 0 0 178.235 1.134 10 0 ADAERN CC[C@@H]1C/C(=C\C(=O)[O-])CC[N@@H+]1C 238300406 573184938 /nfs/dbraw/zinc/18/49/38/573184938.db2.gz XUWSKNNQLGAMGM-UFGYOYAJSA-N 0 0 183.251 1.502 10 0 ADAERN CC/C=C/C(=O)OCC(=O)CCC 308294678 573184941 /nfs/dbraw/zinc/18/49/41/573184941.db2.gz JKJSTTTWEVEGPF-FNORWQNLSA-N 0 0 184.235 1.865 10 0 ADAERN Nc1c(F)cc2c(c1F)CCC2=O 104682586 573184955 /nfs/dbraw/zinc/18/49/55/573184955.db2.gz NACPOKQRGBJNIY-UHFFFAOYSA-N 0 0 183.157 1.676 10 0 ADAERN OCC(F)(F)C[C@H]1CCSC1 257961133 573184990 /nfs/dbraw/zinc/18/49/90/573184990.db2.gz XKWNOQJPSPCXNK-ZCFIWIBFSA-N 0 0 182.235 1.757 10 0 ADAERN C[C@H](CO)Cc1ccccc1F 82764681 573184997 /nfs/dbraw/zinc/18/49/97/573184997.db2.gz WVFZVZHDYYBOTA-QMMMGPOBSA-N 0 0 168.211 1.997 10 0 ADAERN Cc1cc(C=O)c(C2(O)CC2)cc1F 257962501 573184999 /nfs/dbraw/zinc/18/49/99/573184999.db2.gz BWWFXQUEBHDTNB-UHFFFAOYSA-N 0 0 194.205 1.928 10 0 ADAERN CNC(=O)c1ccn(C(C)C)c1N 257961795 573185018 /nfs/dbraw/zinc/18/50/18/573185018.db2.gz UJKOEVPSYGELEQ-UHFFFAOYSA-N 0 0 181.239 1.011 10 0 ADAERN O[C@H]1OCCCc2ccccc21 104682418 573185019 /nfs/dbraw/zinc/18/50/19/573185019.db2.gz WVMCAFLEJYNSAK-JTQLQIEISA-N 0 0 164.204 1.640 10 0 ADAERN C[C@H](CO)CC1CC1 82764631 573185036 /nfs/dbraw/zinc/18/50/36/573185036.db2.gz OBLPBQPCPDIYSA-LURJTMIESA-N 0 0 114.188 1.415 10 0 ADAERN CCCCC/C=C/C(N)=O 90212958 573185051 /nfs/dbraw/zinc/18/50/51/573185051.db2.gz GQSNJNBEIFSPHV-VOTSOKGWSA-N 0 0 141.214 1.608 10 0 ADAERN COc1cccnc1[C@H](C)O 115306976 573185058 /nfs/dbraw/zinc/18/50/58/573185058.db2.gz AYSWSFMPOVHZPA-LURJTMIESA-N 0 0 153.181 1.144 10 0 ADAERN [NH3+][C@H]1CCc2cc(C(=O)[O-])cc(F)c21 104682898 573185068 /nfs/dbraw/zinc/18/50/68/573185068.db2.gz CGMCFXKLZYPRGS-QMMMGPOBSA-N 0 0 195.193 1.470 10 0 ADAERN Cc1c(N)cccc1[C@@H]([NH3+])CC(=O)[O-] 104684003 573185075 /nfs/dbraw/zinc/18/50/75/573185075.db2.gz KWKCXNRRESSNLW-VIFPVBQESA-N 0 0 194.234 1.052 10 0 ADAERN C/C=C/COC(=O)[C@H](O)[C@H](C)CC 308295103 573185077 /nfs/dbraw/zinc/18/50/77/573185077.db2.gz JPZPSDOOPDOJCL-FVOAXITGSA-N 0 0 186.251 1.513 10 0 ADAERN C[C@]1(F)CCCc2[nH]nc(C=O)c21 257962286 573185080 /nfs/dbraw/zinc/18/50/80/573185080.db2.gz XPCVGVMSJNPECJ-VIFPVBQESA-N 0 0 182.198 1.743 10 0 ADAERN O=C([O-])c1c(F)cccc1[C@@H]1CC[NH2+]1 104684955 573185084 /nfs/dbraw/zinc/18/50/84/573185084.db2.gz AUNUNWNVLZHADA-QMMMGPOBSA-N 0 0 195.193 1.558 10 0 ADAERN Cc1c(N)ccc2c1OCCC2=O 104684258 573185111 /nfs/dbraw/zinc/18/51/11/573185111.db2.gz FIJZPLIGRNPPCO-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN CC(=O)CN(C)C(=O)C1CC=CC1 308295071 573185115 /nfs/dbraw/zinc/18/51/15/573185115.db2.gz HOJBLHRHGUYOEN-UHFFFAOYSA-N 0 0 181.235 1.000 10 0 ADAERN Cc1cccn2c([C@@H](C)O)ncc12 257960820 573185139 /nfs/dbraw/zinc/18/51/39/573185139.db2.gz XHXSCMNYJJOOFL-MRVPVSSYSA-N 0 0 176.219 1.696 10 0 ADAERN CCO[C@@H]1C(=O)[C@H](C)[C@@H]1C 238300581 573185149 /nfs/dbraw/zinc/18/51/49/573185149.db2.gz JSJRRYBGQWPUMZ-CHKWXVPMSA-N 0 0 142.198 1.246 10 0 ADAERN Cc1cnc(COC(C)C)o1 219199126 573185168 /nfs/dbraw/zinc/18/51/68/573185168.db2.gz PGVGWYUTPRXZIN-UHFFFAOYSA-N 0 0 155.197 1.908 10 0 ADAERN C[C@H](O)c1cnc(-c2ccncc2)o1 258238061 573185177 /nfs/dbraw/zinc/18/51/77/573185177.db2.gz VYZRWJXZWJDCAV-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN C[C@@H](CO)Cc1ccccc1F 82764682 573185188 /nfs/dbraw/zinc/18/51/88/573185188.db2.gz WVFZVZHDYYBOTA-MRVPVSSYSA-N 0 0 168.211 1.997 10 0 ADAERN CCN1N=C(C)C(C(C)=O)C1=O 238306202 573185193 /nfs/dbraw/zinc/18/51/93/573185193.db2.gz YLRQELLYULKRBX-UHFFFAOYSA-N 0 0 168.196 1.120 10 0 ADAERN C[C@@H](O)c1cc(F)c(O)c(F)c1 257961524 573185233 /nfs/dbraw/zinc/18/52/33/573185233.db2.gz GXEGYGUUYFEYKA-SCSAIBSYSA-N 0 0 174.146 1.724 10 0 ADAERN CCC/C=C\C[C@@H](O)C(=O)OCC 219158902 573185244 /nfs/dbraw/zinc/18/52/44/573185244.db2.gz BMYWFPRBAAXRKG-ATJFRQLMSA-N 0 0 186.251 1.657 10 0 ADAERN C/C=C\CCNC(=O)NCC1CC1 308295674 573185247 /nfs/dbraw/zinc/18/52/47/573185247.db2.gz JUMVSOMMTBIJJY-IHWYPQMZSA-N 0 0 182.267 1.662 10 0 ADAERN Cc1cc([C@@H]([NH3+])CC(=O)[O-])ccc1N 104682846 573185253 /nfs/dbraw/zinc/18/52/53/573185253.db2.gz CEOKETIQPIBYPN-VIFPVBQESA-N 0 0 194.234 1.052 10 0 ADAERN CCON(C)C(=O)Cc1ccsc1 308296162 573185259 /nfs/dbraw/zinc/18/52/59/573185259.db2.gz IFIKBHIJQHMVOA-UHFFFAOYSA-N 0 0 199.275 1.701 10 0 ADAERN Cc1c(CC(C)(C)O)cnn1C 642863777 573185282 /nfs/dbraw/zinc/18/52/82/573185282.db2.gz XSOCWOMWKKURHS-UHFFFAOYSA-N 0 0 167.232 1.156 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])C1(C)CCC1 686134833 573185292 /nfs/dbraw/zinc/18/52/92/573185292.db2.gz XZOLZFKWIFVFHW-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN CC[C@H](C)[C@@H]1CC[NH2+][C@@H](C(=O)[O-])C1 238299985 573185300 /nfs/dbraw/zinc/18/53/00/573185300.db2.gz NFUULNJCUSVBTA-DJLDLDEBSA-N 0 0 185.267 1.485 10 0 ADAERN CN(C)c1n[nH]nc1-c1ccccc1 238306683 573185314 /nfs/dbraw/zinc/18/53/14/573185314.db2.gz DKUWFPXHQPWDTD-UHFFFAOYSA-N 0 0 188.234 1.538 10 0 ADAERN CCCCS[C@@H]1CCOC1=O 142147814 573185319 /nfs/dbraw/zinc/18/53/19/573185319.db2.gz NDVKBSOOTIDJSC-SSDOTTSWSA-N 0 0 174.265 1.835 10 0 ADAERN CC[C@@]1(C(C)=O)CCCC1=O 238306332 573185322 /nfs/dbraw/zinc/18/53/22/573185322.db2.gz RLSJIDHKQPCHDO-VIFPVBQESA-N 0 0 154.209 1.725 10 0 ADAERN Cc1cccc(C)c1[C@](C)([NH3+])C(=O)[O-] 104682745 573185327 /nfs/dbraw/zinc/18/53/27/573185327.db2.gz NDDHXPCEQSSVTE-NSHDSACASA-N 0 0 193.246 1.562 10 0 ADAERN COC(=O)c1c(C(C)C)ccn1C 259603115 573185328 /nfs/dbraw/zinc/18/53/28/573185328.db2.gz MHJUTXBUXGSEIY-UHFFFAOYSA-N 0 0 181.235 1.935 10 0 ADAERN Nc1ccc2c(c1O)CCC2=O 104683100 573185340 /nfs/dbraw/zinc/18/53/40/573185340.db2.gz LKDXYCCMHJAVOD-UHFFFAOYSA-N 0 0 163.176 1.103 10 0 ADAERN Cc1c[nH]c(C)c1C(=O)CN(C)C 104684090 573185373 /nfs/dbraw/zinc/18/53/73/573185373.db2.gz NJAAPXLXYLRLKY-UHFFFAOYSA-N 0 0 180.251 1.376 10 0 ADAERN Cc1csc(C(=O)CN(C)C)n1 104684582 573185404 /nfs/dbraw/zinc/18/54/04/573185404.db2.gz PZXKWWUGBNTTDN-UHFFFAOYSA-N 0 0 184.264 1.196 10 0 ADAERN CCO[C@@H]1C(=O)[C@@H](C)[C@@H]1C 238300617 573185415 /nfs/dbraw/zinc/18/54/15/573185415.db2.gz JSJRRYBGQWPUMZ-HAFWLYHUSA-N 0 0 142.198 1.246 10 0 ADAERN COC[C@@H](C)C[C@H](C)CO 82764521 573185418 /nfs/dbraw/zinc/18/54/18/573185418.db2.gz QCEMJGNHYLXSIA-YUMQZZPRSA-N 0 0 146.230 1.287 10 0 ADAERN Cc1cccc(C)c1[C@@](C)([NH3+])C(=O)[O-] 104682746 573185425 /nfs/dbraw/zinc/18/54/25/573185425.db2.gz NDDHXPCEQSSVTE-LLVKDONJSA-N 0 0 193.246 1.562 10 0 ADAERN Cc1cc[nH+]c(N)c1C[C@H](C)CO 82764662 573185441 /nfs/dbraw/zinc/18/54/41/573185441.db2.gz SGLDHBPZEYEFDQ-ZETCQYMHSA-N 0 0 180.251 1.143 10 0 ADAERN Cc1ccc(C(=S)N(C)N)cc1 104682517 573185459 /nfs/dbraw/zinc/18/54/59/573185459.db2.gz QVMROVXDJBQDCD-UHFFFAOYSA-N 0 0 180.276 1.476 10 0 ADAERN CCO[C@]1(C)CCCC1=O 238306426 573185473 /nfs/dbraw/zinc/18/54/73/573185473.db2.gz AWBJIVITARJXAZ-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN CN(C)c1c2cccc-2c1=O 238306702 573185479 /nfs/dbraw/zinc/18/54/79/573185479.db2.gz FIDVHJODCNFEFM-UHFFFAOYSA-N 0 0 147.177 1.093 10 0 ADAERN COC(=O)/C=C\[C@H]1CCSC1 258238151 573185482 /nfs/dbraw/zinc/18/54/82/573185482.db2.gz PUPAEHIOPIDCPP-XDVGHUOJSA-N 0 0 172.249 1.469 10 0 ADAERN N#CN[C@H]1CCCC12CC2 642862710 573185535 /nfs/dbraw/zinc/18/55/35/573185535.db2.gz DNDMFQSUTITHNY-ZETCQYMHSA-N 0 0 136.198 1.390 10 0 ADAERN CCn1cc(C[C@@H](C)CO)cn1 82764744 573185539 /nfs/dbraw/zinc/18/55/39/573185539.db2.gz SOSNDAXIZHNUEO-MRVPVSSYSA-N 0 0 168.240 1.074 10 0 ADAERN CC[C@H]([NH3+])c1ccc(C(=O)[O-])c(O)c1 104682902 573185549 /nfs/dbraw/zinc/18/55/49/573185549.db2.gz YBOJKWFOAJUFKP-QMMMGPOBSA-N 0 0 195.218 1.500 10 0 ADAERN Cc1csc(C(=O)CN(C)C)c1 104683578 573185553 /nfs/dbraw/zinc/18/55/53/573185553.db2.gz MOGYVFOVFXEFNF-UHFFFAOYSA-N 0 0 183.276 1.801 10 0 ADAERN Cc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1N 104683517 573185604 /nfs/dbraw/zinc/18/56/04/573185604.db2.gz CVYXGOPICUXTBI-VIFPVBQESA-N 0 0 194.234 1.052 10 0 ADAERN CC(F)(F)Oc1cccnc1N 104683037 573185607 /nfs/dbraw/zinc/18/56/07/573185607.db2.gz HPOPDOYTTVAQOM-UHFFFAOYSA-N 0 0 174.150 1.655 10 0 ADAERN CC[C@@H]1CC(=O)C(CC)(CC)C(=O)N1 238300535 573185634 /nfs/dbraw/zinc/18/56/34/573185634.db2.gz FJKCQRFRVWIFSY-MRVPVSSYSA-N 0 0 197.278 1.660 10 0 ADAERN Cc1c[nH]cc1C(=O)CN(C)C 104684573 573185635 /nfs/dbraw/zinc/18/56/35/573185635.db2.gz RLYVHOWYIMYEIE-UHFFFAOYSA-N 0 0 166.224 1.067 10 0 ADAERN CCCN1C(=O)CC(C)(C)NC1=O 82770807 573185668 /nfs/dbraw/zinc/18/56/68/573185668.db2.gz YXGRPHORYPIZBZ-UHFFFAOYSA-N 0 0 184.239 1.117 10 0 ADAERN CCO[C@]1(C)CO[C@]1(C)C(C)=O 238306478 573185674 /nfs/dbraw/zinc/18/56/74/573185674.db2.gz LOQUQFSEKGKCBZ-RKDXNWHRSA-N 0 0 172.224 1.160 10 0 ADAERN Cc1cccc(-c2oncc2N)n1 74308882 573185702 /nfs/dbraw/zinc/18/57/02/573185702.db2.gz JAWOPENTGGHSMG-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN O=C1CCOc2ccc(F)c(F)c21 104683772 573185703 /nfs/dbraw/zinc/18/57/03/573185703.db2.gz GCCYVYQRSNFPCW-UHFFFAOYSA-N 0 0 184.141 1.930 10 0 ADAERN CCO[C@@H](C)C(OC)OC 104682498 573185710 /nfs/dbraw/zinc/18/57/10/573185710.db2.gz HCBLHYPRSUGTJZ-LURJTMIESA-N 0 0 148.202 1.030 10 0 ADAERN CC[C@@]1(C(C)=O)O[C@@H]1C 238306409 573185748 /nfs/dbraw/zinc/18/57/48/573185748.db2.gz ZSDALBOOYZOZFH-RQJHMYQMSA-N 0 0 128.171 1.143 10 0 ADAERN [NH3+][C@@H]1CCc2cc(C(=O)[O-])c(O)cc21 104685206 573185753 /nfs/dbraw/zinc/18/57/53/573185753.db2.gz TXLXQRFWZKEZKV-MRVPVSSYSA-N 0 0 193.202 1.036 10 0 ADAERN O=C1CCc2cc3nccnc3cc21 104682546 573185774 /nfs/dbraw/zinc/18/57/74/573185774.db2.gz LXVAJLNOUMCZLK-UHFFFAOYSA-N 0 0 184.198 1.759 10 0 ADAERN O=C1CCCc2cc(CO)ccc21 104683139 573185784 /nfs/dbraw/zinc/18/57/84/573185784.db2.gz JJRGTQFHHYTTPY-UHFFFAOYSA-N 0 0 176.215 1.698 10 0 ADAERN C[C@H](CO)CC[C@@H]1CCCO1 82764599 573185794 /nfs/dbraw/zinc/18/57/94/573185794.db2.gz OQRIPORTSHKJKB-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1nc2sccn2n1 104685045 573185806 /nfs/dbraw/zinc/18/58/06/573185806.db2.gz MOCMNPNNOUUGQO-UHFFFAOYSA-N 0 0 139.183 1.099 10 0 ADAERN CCOC(=O)C(C)=C1NCCS1 238299946 573185808 /nfs/dbraw/zinc/18/58/08/573185808.db2.gz HRYLETQAMRJLEQ-SREVYHEPSA-N 0 0 187.264 1.117 10 0 ADAERN CC[C@@]1(C(C)=O)C[C@H]1C(C)=O 238306384 573185813 /nfs/dbraw/zinc/18/58/13/573185813.db2.gz HFLRWUHOCLIERO-IUCAKERBSA-N 0 0 154.209 1.581 10 0 ADAERN CCc1c(F)ccc2[nH]c(N)[nH+]c12 238299879 573185857 /nfs/dbraw/zinc/18/58/57/573185857.db2.gz GRGSBSOPKIABQK-UHFFFAOYSA-N 0 0 179.198 1.847 10 0 ADAERN NSc1ccc2c(c1)OCO2 259363890 573185936 /nfs/dbraw/zinc/18/59/36/573185936.db2.gz ZWEMKOBRPOZHJT-UHFFFAOYSA-N 0 0 169.205 1.381 10 0 ADAERN [NH3+]C1(c2ccc([S-])cc2)CC1 104682352 573185938 /nfs/dbraw/zinc/18/59/38/573185938.db2.gz CQFDZMQZUASKGT-UHFFFAOYSA-N 0 0 165.261 1.923 10 0 ADAERN CC[C@H](C)OCn1ccn(CC)c1=O 308514297 573185946 /nfs/dbraw/zinc/18/59/46/573185946.db2.gz UGAVPNVKYMLRIH-VIFPVBQESA-N 0 0 198.266 1.442 10 0 ADAERN O=c1ccc2c([nH]1)-c1ccccc1C2 115373163 573185949 /nfs/dbraw/zinc/18/59/49/573185949.db2.gz AFLPZQSXEMPUGZ-UHFFFAOYSA-N 0 0 183.210 1.946 10 0 ADAERN CCC[C@H]1O[C@@H]1CCCO 142136738 573185957 /nfs/dbraw/zinc/18/59/57/573185957.db2.gz QZJVOYLYXSQPQQ-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN C1=NNSc2ccccc21 104682402 573185977 /nfs/dbraw/zinc/18/59/77/573185977.db2.gz HAVZTGSQJIEKPI-UHFFFAOYSA-N 0 0 150.206 1.631 10 0 ADAERN CC1=NOc2ccccc2C1 104682425 573185990 /nfs/dbraw/zinc/18/59/90/573185990.db2.gz HOHIXOWHZILRBQ-UHFFFAOYSA-N 0 0 147.177 1.997 10 0 ADAERN CCC[C@@H]1O[C@H]1CCCO 142136935 573186012 /nfs/dbraw/zinc/18/60/12/573186012.db2.gz QZJVOYLYXSQPQQ-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN CC(=O)c1cnnn1CCCC(C)C 308514292 573186015 /nfs/dbraw/zinc/18/60/15/573186015.db2.gz UFXGIJSMSYJCAS-UHFFFAOYSA-N 0 0 195.266 1.917 10 0 ADAERN COc1ccc2nc(C=O)ncc2c1 115366241 573186048 /nfs/dbraw/zinc/18/60/48/573186048.db2.gz BEZNAQFNUNCCCA-UHFFFAOYSA-N 0 0 188.186 1.451 10 0 ADAERN COc1ccc(CC[C@H](C)NO)cc1 132016807 573186054 /nfs/dbraw/zinc/18/60/54/573186054.db2.gz FCBGVEMJDDFKOT-VIFPVBQESA-N 0 0 195.262 1.995 10 0 ADAERN CC(=O)N(C)[C@@H](CO)c1ccc(C)o1 259362929 573186057 /nfs/dbraw/zinc/18/60/57/573186057.db2.gz QFRMSQHKEWNTJC-VIFPVBQESA-N 0 0 197.234 1.100 10 0 ADAERN CCc1cc(=O)cc(C)[nH]1 115403167 573186065 /nfs/dbraw/zinc/18/60/65/573186065.db2.gz NCRQWLUYUZGFDQ-UHFFFAOYSA-N 0 0 137.182 1.246 10 0 ADAERN CCc1noc2c(N)cccc12 258572170 573186066 /nfs/dbraw/zinc/18/60/66/573186066.db2.gz RPQOOWWQDKOEMW-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN Cc1cccc([C@@](C)([NH3+])CC(=O)[O-])n1 104685318 573186076 /nfs/dbraw/zinc/18/60/76/573186076.db2.gz SHQYVTDPTDVYLO-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN O=C([O-])c1ccc(F)cc1[C@H]1CC[NH2+]1 104682320 573186120 /nfs/dbraw/zinc/18/61/20/573186120.db2.gz QQTSIOBPNAVOAE-SECBINFHSA-N 0 0 195.193 1.558 10 0 ADAERN CCC[C@@H](O)c1ccc(N(C)C)nc1 308514464 573186145 /nfs/dbraw/zinc/18/61/45/573186145.db2.gz DPQGDTNKKXLUAN-SNVBAGLBSA-N 0 0 194.278 1.981 10 0 ADAERN CCOC(=O)CCC(C)(C)CO 115372043 573186146 /nfs/dbraw/zinc/18/61/46/573186146.db2.gz CUMKAFSGVPFTCR-UHFFFAOYSA-N 0 0 174.240 1.348 10 0 ADAERN CC[C@@]1(C(C)C)C(=O)NC[C@@H](C)C1=O 238306437 573186195 /nfs/dbraw/zinc/18/61/95/573186195.db2.gz QIVQWKQIEZASCL-KCJUWKMLSA-N 0 0 197.278 1.374 10 0 ADAERN CC[C@H](C)[C@@H]1C[C@@H](C(=O)[O-])CC[NH2+]1 238300597 573186229 /nfs/dbraw/zinc/18/62/29/573186229.db2.gz ULDQOVLHRNGFPC-CIUDSAMLSA-N 0 0 185.267 1.485 10 0 ADAERN CNC(=O)O[C@@H]1C=CCCC1 238299996 573186239 /nfs/dbraw/zinc/18/62/39/573186239.db2.gz WWGVPDKXQNEEIS-SSDOTTSWSA-N 0 0 155.197 1.451 10 0 ADAERN Cc1cccc([C@@H]([NH3+])CC(=O)[O-])c1N 104683519 573186303 /nfs/dbraw/zinc/18/63/03/573186303.db2.gz QUIDLLMTNPKIPE-QMMMGPOBSA-N 0 0 194.234 1.052 10 0 ADAERN N[C@@H](c1ccc(O)cn1)C(F)(F)F 104682639 573186310 /nfs/dbraw/zinc/18/63/10/573186310.db2.gz ZQQLHDWUJKWGKW-LURJTMIESA-N 0 0 192.140 1.349 10 0 ADAERN Cc1cccc([C@](C)([NH3+])CC(=O)[O-])n1 104684902 573186329 /nfs/dbraw/zinc/18/63/29/573186329.db2.gz SHQYVTDPTDVYLO-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN CN1C(=S)NC[C@@H]2CCCC[C@H]21 238300528 573186344 /nfs/dbraw/zinc/18/63/44/573186344.db2.gz WGJZGDNBDVCVGX-JGVFFNPUSA-N 0 0 184.308 1.365 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1ccncc1 104685307 573186480 /nfs/dbraw/zinc/18/64/80/573186480.db2.gz WDTLDBKVAMJPKJ-MRVPVSSYSA-N 0 0 194.234 1.192 10 0 ADAERN CNNC(=S)c1ccccc1 104682513 573186382 /nfs/dbraw/zinc/18/63/82/573186382.db2.gz BLNMRKNLYXVMFX-UHFFFAOYSA-N 0 0 166.249 1.086 10 0 ADAERN O=c1[nH]cc2c(F)cccn12 258572262 573186416 /nfs/dbraw/zinc/18/64/16/573186416.db2.gz RQUPMUBUPKNKRZ-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN CC[C@H](C)COC(=O)CC[C@H](C)O 308297996 573186422 /nfs/dbraw/zinc/18/64/22/573186422.db2.gz KRRDWMWDPTXYIA-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN Nc1cc2c(cc1O)C(=O)CCC2 104683167 573186427 /nfs/dbraw/zinc/18/64/27/573186427.db2.gz UBTYFYSAZHQWSG-UHFFFAOYSA-N 0 0 177.203 1.493 10 0 ADAERN CCC[NH2+][C@@H](C(=O)[O-])C1(C)CCC1 686134834 573186436 /nfs/dbraw/zinc/18/64/36/573186436.db2.gz XZOLZFKWIFVFHW-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN C[NH2+][C@H](C[C@@H](C)C(=O)[O-])c1cc[nH]c1 259359488 573186440 /nfs/dbraw/zinc/18/64/40/573186440.db2.gz KZOOBZDBSAWCCF-VXNVDRBHSA-N 0 0 196.250 1.386 10 0 ADAERN CCC[C@@H]1CN(CC(C)=O)C(=O)N1C 259363455 573186451 /nfs/dbraw/zinc/18/64/51/573186451.db2.gz IQWZBFQLQFTAMU-SECBINFHSA-N 0 0 198.266 1.112 10 0 ADAERN CC[C@@H](C)ONC(=O)N(CC)CC 308296738 573186457 /nfs/dbraw/zinc/18/64/57/573186457.db2.gz KGGSHMWGDUWKRG-MRVPVSSYSA-N 0 0 188.271 1.768 10 0 ADAERN O=Nc1cccc(CO)c1 115356094 573186460 /nfs/dbraw/zinc/18/64/60/573186460.db2.gz GAPKCSXRZAVXBD-UHFFFAOYSA-N 0 0 137.138 1.577 10 0 ADAERN Cc1ccc([C@H]2COCCN2)cc1O 104683352 573186462 /nfs/dbraw/zinc/18/64/62/573186462.db2.gz FHLCBXHXWQWGDZ-SNVBAGLBSA-N 0 0 193.246 1.362 10 0 ADAERN CCC(=O)N[C@@H](CCOC)C(C)C 308297362 573186465 /nfs/dbraw/zinc/18/64/65/573186465.db2.gz KMZDFCKDMAZWRN-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN CC[C@@H](CCO)[C@@H](C)CO 115381700 573187804 /nfs/dbraw/zinc/18/78/04/573187804.db2.gz OCOBXBRLDWHHDI-YUMQZZPRSA-N 0 0 146.230 1.023 10 0 ADAERN Cc1ccc([C@@H]([NH3+])CC(=O)[O-])c(N)c1 104683522 573187137 /nfs/dbraw/zinc/18/71/37/573187137.db2.gz WNNIKDBIKFCVPL-VIFPVBQESA-N 0 0 194.234 1.052 10 0 ADAERN COCc1cc(F)ccc1CON 257962650 573187140 /nfs/dbraw/zinc/18/71/40/573187140.db2.gz BYSMOXNFVGOFDL-UHFFFAOYSA-N 0 0 185.198 1.362 10 0 ADAERN C[NH2+][C@@H](C[C@H](C)C(=O)[O-])c1cc[nH]c1 259359484 573187152 /nfs/dbraw/zinc/18/71/52/573187152.db2.gz KZOOBZDBSAWCCF-CBAPKCEASA-N 0 0 196.250 1.386 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)cc(C)c1N 104683262 573187162 /nfs/dbraw/zinc/18/71/62/573187162.db2.gz VCBNHAPODFDLIS-LLVKDONJSA-N 0 0 192.262 1.474 10 0 ADAERN CCN(OC)c1cc(N)cc(OC)c1 308513548 573187171 /nfs/dbraw/zinc/18/71/71/573187171.db2.gz DBXVKGVJHUMLLL-UHFFFAOYSA-N 0 0 196.250 1.665 10 0 ADAERN CC[C@@]1(C(C)C)C(=O)NC[C@H](C)C1=O 238306442 573187177 /nfs/dbraw/zinc/18/71/77/573187177.db2.gz QIVQWKQIEZASCL-KWQFWETISA-N 0 0 197.278 1.374 10 0 ADAERN Cc1ccc([C@](C)([NH3+])CC(=O)[O-])nc1 104684910 573187232 /nfs/dbraw/zinc/18/72/32/573187232.db2.gz NQPBJBACUOWPCF-SNVBAGLBSA-N 0 0 194.234 1.039 10 0 ADAERN O=C1CCOc2ccc3c(c21)OCO3 104683836 573187189 /nfs/dbraw/zinc/18/71/89/573187189.db2.gz QQBWUTXLNCENGW-UHFFFAOYSA-N 0 0 192.170 1.381 10 0 ADAERN COCCc1nc(CO)c(C)s1 259360795 573187200 /nfs/dbraw/zinc/18/72/00/573187200.db2.gz FZHIMFGSKPOVLD-UHFFFAOYSA-N 0 0 187.264 1.133 10 0 ADAERN CC(C)(O)[C@@H]1Cc2cc(F)ccc2O1 257962676 573187201 /nfs/dbraw/zinc/18/72/01/573187201.db2.gz FXAYBXVEILJYRW-JTQLQIEISA-N 0 0 196.221 1.900 10 0 ADAERN CCC/C=C\C[C@H](O)C(=O)OCC 219158773 573187206 /nfs/dbraw/zinc/18/72/06/573187206.db2.gz BMYWFPRBAAXRKG-NMTCXDENSA-N 0 0 186.251 1.657 10 0 ADAERN CC[C@H](C)C(=O)NC1=COCCC1 238306687 573187212 /nfs/dbraw/zinc/18/72/12/573187212.db2.gz CVLPIFDRMGXSIW-QMMMGPOBSA-N 0 0 183.251 1.801 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)c1nccs1 308298047 573187213 /nfs/dbraw/zinc/18/72/13/573187213.db2.gz KTRHUFOAHKDVJC-RQJHMYQMSA-N 0 0 197.259 1.956 10 0 ADAERN CC[C@@H](C)C(=O)c1ncn(C)n1 714846028 573187222 /nfs/dbraw/zinc/18/72/22/573187222.db2.gz AATOTUCFKZISQT-ZCFIWIBFSA-N 0 0 167.212 1.044 10 0 ADAERN Cc1cccc(-c2nc(O)c[nH]2)n1 235899703 573187244 /nfs/dbraw/zinc/18/72/44/573187244.db2.gz PCBMNQKQJRPIQO-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN O[C@@H]1OCCCc2ccccc21 104682421 573187250 /nfs/dbraw/zinc/18/72/50/573187250.db2.gz WVMCAFLEJYNSAK-SNVBAGLBSA-N 0 0 164.204 1.640 10 0 ADAERN CCCCc1nccnc1NC 90214423 573187258 /nfs/dbraw/zinc/18/72/58/573187258.db2.gz KTAXMGIQSDCTDI-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN CCc1[nH]c(CO)nc1C(C)C 258486019 573187262 /nfs/dbraw/zinc/18/72/62/573187262.db2.gz JQISIQRURNUFET-UHFFFAOYSA-N 0 0 168.240 1.588 10 0 ADAERN COc1cccc2c1[C@@H](OC)C2 258572143 573187265 /nfs/dbraw/zinc/18/72/65/573187265.db2.gz ROZCDELKVFOWIR-VIFPVBQESA-N 0 0 164.204 1.939 10 0 ADAERN C=CC1=NC(=S)N[C@@](C)(CC)C1 238306393 573187269 /nfs/dbraw/zinc/18/72/69/573187269.db2.gz DXDBGZUENSKSTQ-VIFPVBQESA-N 0 0 182.292 1.703 10 0 ADAERN Clc1nnc2c(n1)CCC2 258572223 573187284 /nfs/dbraw/zinc/18/72/84/573187284.db2.gz RQARUZYREDMQCM-UHFFFAOYSA-N 0 0 155.588 1.014 10 0 ADAERN CCO[C@]1(CC)NC(=O)C=C(C)O1 238306711 573187315 /nfs/dbraw/zinc/18/73/15/573187315.db2.gz QDPHRQCYNHCPCS-VIFPVBQESA-N 0 0 185.223 1.137 10 0 ADAERN OC1(CCC(F)(F)F)COC1 642861790 573187322 /nfs/dbraw/zinc/18/73/22/573187322.db2.gz QSPNOWYAVJOBMW-UHFFFAOYSA-N 0 0 170.130 1.090 10 0 ADAERN C[C@@H]1SCCN1C(=O)c1ccoc1 585464996 573187326 /nfs/dbraw/zinc/18/73/26/573187326.db2.gz VLXACEFISDEPBE-ZETCQYMHSA-N 0 0 197.259 1.815 10 0 ADAERN Cc1cc(O)cc([C@H](C)CO)c1 257963207 573187336 /nfs/dbraw/zinc/18/73/36/573187336.db2.gz HEOMUQCVNLXTDL-MRVPVSSYSA-N 0 0 166.220 1.796 10 0 ADAERN Cc1cc2[nH]cnc(=O)c2s1 104685121 573187359 /nfs/dbraw/zinc/18/73/59/573187359.db2.gz LTURHFJJAHUVFE-UHFFFAOYSA-N 0 0 166.205 1.705 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)c1nccs1 308298045 573187390 /nfs/dbraw/zinc/18/73/90/573187390.db2.gz KTRHUFOAHKDVJC-RNFRBKRXSA-N 0 0 197.259 1.956 10 0 ADAERN Cc1ccc([C@@H]2COCCN2)cc1O 104683348 573187400 /nfs/dbraw/zinc/18/74/00/573187400.db2.gz FHLCBXHXWQWGDZ-JTQLQIEISA-N 0 0 193.246 1.362 10 0 ADAERN CNC(=S)N(NC)c1ccccc1 238306215 573187431 /nfs/dbraw/zinc/18/74/31/573187431.db2.gz RACXWALZBUSQEM-UHFFFAOYSA-N 0 0 195.291 1.132 10 0 ADAERN C[C@H](O)c1ccc2c(c1)OCCN2C 257962620 573187482 /nfs/dbraw/zinc/18/74/82/573187482.db2.gz BYLGYSNJPWXUBJ-QMMMGPOBSA-N 0 0 193.246 1.569 10 0 ADAERN CCc1c(OC)cncc1C(C)=O 238306211 573187484 /nfs/dbraw/zinc/18/74/84/573187484.db2.gz WDBRMPFWQRVFQI-UHFFFAOYSA-N 0 0 179.219 1.855 10 0 ADAERN NC(=O)C(F)(F)Oc1ccccc1 115385319 573187493 /nfs/dbraw/zinc/18/74/93/573187493.db2.gz POKDZCIHNSLLSS-UHFFFAOYSA-N 0 0 187.145 1.144 10 0 ADAERN Cn1cc(C(=O)CCC(C)(C)C)nn1 393659122 573187495 /nfs/dbraw/zinc/18/74/95/573187495.db2.gz OBTDLXAJVNWDAM-UHFFFAOYSA-N 0 0 195.266 1.824 10 0 ADAERN C[C@H](O)c1ccc(C2(O)CC2)cc1 257963216 573187507 /nfs/dbraw/zinc/18/75/07/573187507.db2.gz HETVQDZHIHZZNK-QMMMGPOBSA-N 0 0 178.231 1.721 10 0 ADAERN CO[C@H](C(C)C)[C@@H](O)c1cn(C)cn1 308514844 573187538 /nfs/dbraw/zinc/18/75/38/573187538.db2.gz DSVYLIAZBOSXHS-VHSXEESVSA-N 0 0 198.266 1.125 10 0 ADAERN C/C=C\C(=O)OCc1cnoc1C 308299360 573187591 /nfs/dbraw/zinc/18/75/91/573187591.db2.gz LCYBZLLFIATKTO-ARJAWSKDSA-N 0 0 181.191 1.602 10 0 ADAERN C/C=C/C(=O)Nc1nc(C)cc(C)n1 82778173 573187610 /nfs/dbraw/zinc/18/76/10/573187610.db2.gz WVNWTJFCEFAFHV-SNAWJCMRSA-N 0 0 191.234 1.608 10 0 ADAERN CC[C@@H]1C=CC[C@H](CO)[C@@H]1CO 238300137 573187676 /nfs/dbraw/zinc/18/76/76/573187676.db2.gz DMOASYJKYGZICM-OPRDCNLKSA-N 0 0 170.252 1.190 10 0 ADAERN CCn1nc(C)c2c(=S)[nH]cnc21 238306677 573187694 /nfs/dbraw/zinc/18/76/94/573187694.db2.gz HGXWLLPGCKCRAP-UHFFFAOYSA-N 0 0 194.263 1.817 10 0 ADAERN CCC[C@H](O)c1ccc(N(C)C)nc1 308514463 573187739 /nfs/dbraw/zinc/18/77/39/573187739.db2.gz DPQGDTNKKXLUAN-JTQLQIEISA-N 0 0 194.278 1.981 10 0 ADAERN CC[C@@H]1C=CC=C(C)NC1=O 238299912 573187783 /nfs/dbraw/zinc/18/77/83/573187783.db2.gz WFUYFGHOVWYQME-MRVPVSSYSA-N 0 0 151.209 1.602 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)c1nccs1 308298044 573187827 /nfs/dbraw/zinc/18/78/27/573187827.db2.gz KTRHUFOAHKDVJC-NKWVEPMBSA-N 0 0 197.259 1.956 10 0 ADAERN CCOCC(=O)N[C@@H](C)CC(F)F 308297543 573187847 /nfs/dbraw/zinc/18/78/47/573187847.db2.gz IUMOSPOYNWIOBT-LURJTMIESA-N 0 0 195.209 1.183 10 0 ADAERN CC(C)(O)[C@H]1C[C@H]1C(F)(F)F 258486135 573187874 /nfs/dbraw/zinc/18/78/74/573187874.db2.gz JREODTFCAXYVGW-CRCLSJGQSA-N 0 0 168.158 1.956 10 0 ADAERN CC(C)(O)[C@H]1Cc2cc(F)ccc2O1 257962680 573187875 /nfs/dbraw/zinc/18/78/75/573187875.db2.gz FXAYBXVEILJYRW-SNVBAGLBSA-N 0 0 196.221 1.900 10 0 ADAERN Nc1cc(Cc2ccccc2O)[nH]n1 259359295 573187898 /nfs/dbraw/zinc/18/78/98/573187898.db2.gz USWIDLNSGMOGHN-UHFFFAOYSA-N 0 0 189.218 1.288 10 0 ADAERN COC(=O)c1cccnc1NCCF 308514370 573187900 /nfs/dbraw/zinc/18/79/00/573187900.db2.gz DMGDTCSKSFYWBJ-UHFFFAOYSA-N 0 0 198.197 1.250 10 0 ADAERN CCOCCC(=O)O[C@H]1C=CCC1 308299045 573187931 /nfs/dbraw/zinc/18/79/31/573187931.db2.gz JJSKNZRBRSASEM-VIFPVBQESA-N 0 0 184.235 1.675 10 0 ADAERN C/C=C/[C@H](C)NC(C)=O 104690078 573187933 /nfs/dbraw/zinc/18/79/33/573187933.db2.gz YJGKYKJXGVIIGE-OVCGOVNKSA-N 0 0 127.187 1.087 10 0 ADAERN C[C@H](N)c1nnc(NCC2CCC2)o1 235514365 573187952 /nfs/dbraw/zinc/18/79/52/573187952.db2.gz UJDPJVROECETCQ-LURJTMIESA-N 0 0 196.254 1.301 10 0 ADAERN CN(C)C(=O)NC1[C@H]2CCCCC[C@H]12 238306559 573187956 /nfs/dbraw/zinc/18/79/56/573187956.db2.gz HQOKEPUKYRZFAR-IUCAKERBSA-N 0 0 196.294 1.836 10 0 ADAERN CC/C(=C/C[NH2+][C@@H]1CC12CC2)C(=O)[O-] 715607639 573187961 /nfs/dbraw/zinc/18/79/61/573187961.db2.gz CGPCGVRNWWFJFZ-PTDYZRSTSA-N 0 0 195.262 1.550 10 0 ADAERN CCc1ncc(Cl)o1 258572612 573188139 /nfs/dbraw/zinc/18/81/39/573188139.db2.gz QATSYAHJBZYZPB-UHFFFAOYSA-N 0 0 131.562 1.890 10 0 ADAERN CCO[C@]1(C)CO[C@@]1(C)C(C)=O 238306463 573187967 /nfs/dbraw/zinc/18/79/67/573187967.db2.gz LOQUQFSEKGKCBZ-BDAKNGLRSA-N 0 0 172.224 1.160 10 0 ADAERN CC/C(=C/C[NH2+][C@H]1CC12CC2)C(=O)[O-] 715607631 573187970 /nfs/dbraw/zinc/18/79/70/573187970.db2.gz CGPCGVRNWWFJFZ-CHDHTGKKSA-N 0 0 195.262 1.550 10 0 ADAERN CC(=O)CN(C)C(=O)[C@H]1CC1(C)C 308299530 573187977 /nfs/dbraw/zinc/18/79/77/573187977.db2.gz JNMPTGFAJCNTFL-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H](O)CCc1ccc(C=O)cc1 259360757 573188144 /nfs/dbraw/zinc/18/81/44/573188144.db2.gz IOHNLDHEJOCKCO-SECBINFHSA-N 0 0 178.231 1.813 10 0 ADAERN OC[C@@]1(c2ccccc2Cl)CCO1 258572662 573188030 /nfs/dbraw/zinc/18/80/30/573188030.db2.gz QBWGPGSTPABRGJ-SNVBAGLBSA-N 0 0 198.649 1.948 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1NC1CC1 115379978 573188080 /nfs/dbraw/zinc/18/80/80/573188080.db2.gz LKYREESRRJTLTP-DTORHVGOSA-N 0 0 168.284 1.916 10 0 ADAERN COc1ccc([C@H]2CCC(=O)C2)cn1 142186380 573188197 /nfs/dbraw/zinc/18/81/97/573188197.db2.gz BWFUYVQXAOPEMO-QMMMGPOBSA-N 0 0 191.230 1.927 10 0 ADAERN CO[C@H]1C(=O)c2cccn2[C@H]1C 142191410 573188216 /nfs/dbraw/zinc/18/82/16/573188216.db2.gz IMQBBPGUBUSTSE-IMTBSYHQSA-N 0 0 165.192 1.260 10 0 ADAERN CC[C@H](O)CC(=S)SC 238306165 573188249 /nfs/dbraw/zinc/18/82/49/573188249.db2.gz GHSXSBUTQOPFSK-YFKPBYRVSA-N 0 0 164.295 1.838 10 0 ADAERN CCCCNC(=O)OCF 104691089 573188251 /nfs/dbraw/zinc/18/82/51/573188251.db2.gz FMKVCAKXCRNDDW-UHFFFAOYSA-N 0 0 149.165 1.440 10 0 ADAERN CC(C)C(=O)Cn1cc(Cl)cn1 82776817 573188275 /nfs/dbraw/zinc/18/82/75/573188275.db2.gz UXMHKVAVYMQBJY-UHFFFAOYSA-N 0 0 186.642 1.762 10 0 ADAERN O=c1nc([C@H]2CCCCO2)o[nH]1 257962954 573188277 /nfs/dbraw/zinc/18/82/77/573188277.db2.gz JLSGVRINSWTLFG-RXMQYKEDSA-N 0 0 170.168 1.017 10 0 ADAERN C[C@@H](O)Cc1c(F)ccc(O)c1F 257962732 573188286 /nfs/dbraw/zinc/18/82/86/573188286.db2.gz CAGYIUFHLVITCN-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN CCc1ncc(C=O)cc1O 225761462 573188295 /nfs/dbraw/zinc/18/82/95/573188295.db2.gz NHQAODKHLHLWAJ-UHFFFAOYSA-N 0 0 151.165 1.162 10 0 ADAERN C=CC(=O)N(C)c1cccc(OC)c1 49971297 573188341 /nfs/dbraw/zinc/18/83/41/573188341.db2.gz YBQJPLCLTLUBCP-UHFFFAOYSA-N 0 0 191.230 1.844 10 0 ADAERN CCc1cc(F)c(O)c(CCON)c1 258238428 573188346 /nfs/dbraw/zinc/18/83/46/573188346.db2.gz WLJPRVTVLBEOSM-UHFFFAOYSA-N 0 0 199.225 1.527 10 0 ADAERN CC[C@](C)(C(C)=O)[C@@H](C)O 238300374 573188349 /nfs/dbraw/zinc/18/83/49/573188349.db2.gz OXCBYVOOEWRSGH-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN CCC(=O)N1CC[C@@H](OC(F)F)C1 308297955 573188351 /nfs/dbraw/zinc/18/83/51/573188351.db2.gz KQUMGGWNDVLGLA-ZCFIWIBFSA-N 0 0 193.193 1.237 10 0 ADAERN Nc1cc([C@H](O)C(F)(F)F)ccn1 115359541 573188353 /nfs/dbraw/zinc/18/83/53/573188353.db2.gz MNDHMXQUMNZQRP-LURJTMIESA-N 0 0 192.140 1.260 10 0 ADAERN CCOCC(=O)N[C@H](C)CC(F)F 308297547 573188380 /nfs/dbraw/zinc/18/83/80/573188380.db2.gz IUMOSPOYNWIOBT-ZCFIWIBFSA-N 0 0 195.209 1.183 10 0 ADAERN C[C@@H]1COC[C@H]1Nc1cccnc1F 687983095 573188405 /nfs/dbraw/zinc/18/84/05/573188405.db2.gz ZWKJKWWHSNRENR-VXNVDRBHSA-N 0 0 196.225 1.668 10 0 ADAERN CSc1ccc(N)cc1N 142220825 573188409 /nfs/dbraw/zinc/18/84/09/573188409.db2.gz SBNDMNBHWSKOHV-UHFFFAOYSA-N 0 0 154.238 1.573 10 0 ADAERN Oc1cccc2nc(C3CCC3)nn12 257963214 573188433 /nfs/dbraw/zinc/18/84/33/573188433.db2.gz MDRVWYULPFZYED-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN CC[C@@]1(C(C)=O)C[C@@H]1C(C)=O 238306364 573188437 /nfs/dbraw/zinc/18/84/37/573188437.db2.gz HFLRWUHOCLIERO-BDAKNGLRSA-N 0 0 154.209 1.581 10 0 ADAERN CNc1cncc(NC)c1 104691482 573188439 /nfs/dbraw/zinc/18/84/39/573188439.db2.gz YCXCVZPIEQPHHB-UHFFFAOYSA-N 0 0 137.186 1.165 10 0 ADAERN OCCOc1ccc(C2(O)CC2)cc1 257962614 573188449 /nfs/dbraw/zinc/18/84/49/573188449.db2.gz BYIYYEPLDCOTAJ-UHFFFAOYSA-N 0 0 194.230 1.039 10 0 ADAERN CC[C@]1(C)NC(=S)C(C)(C)[NH2+]1 238306349 573188469 /nfs/dbraw/zinc/18/84/69/573188469.db2.gz RVCYSJUYTXKENO-MRVPVSSYSA-N 0 0 172.297 1.411 10 0 ADAERN COc1c(N)c(F)c(F)c(F)c1F 142185598 573188485 /nfs/dbraw/zinc/18/84/85/573188485.db2.gz AABXUBUVTWKEFT-UHFFFAOYSA-N 0 0 195.115 1.834 10 0 ADAERN CCC[C@@H]1O[C@@H]1CCCO 142136536 573188518 /nfs/dbraw/zinc/18/85/18/573188518.db2.gz QZJVOYLYXSQPQQ-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN O=c1ccn2nc(C3CCC3)[nH]c2c1 257963286 573188522 /nfs/dbraw/zinc/18/85/22/573188522.db2.gz MEWHDVASEASWTQ-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN COCCc1cc(N)c2c(c1)OCO2 115389218 573188542 /nfs/dbraw/zinc/18/85/42/573188542.db2.gz GEKIJSTYWBXTRP-UHFFFAOYSA-N 0 0 195.218 1.186 10 0 ADAERN C[C@H](O)Cc1c(F)ccc(O)c1F 257962734 573188570 /nfs/dbraw/zinc/18/85/70/573188570.db2.gz CAGYIUFHLVITCN-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN CN1C(=O)C(=O)C2CCCC[C@H]21 238300417 573188575 /nfs/dbraw/zinc/18/85/75/573188575.db2.gz IUOYJCQOARMTBD-SSDOTTSWSA-N 0 0 167.208 1.213 10 0 ADAERN ONCc1cc(F)cc(F)c1F 259361919 573188578 /nfs/dbraw/zinc/18/85/78/573188578.db2.gz GWSXCTCPLPCNFU-UHFFFAOYSA-N 0 0 177.125 1.583 10 0 ADAERN COCc1nc2c(Cl)cccn2n1 258486085 573188591 /nfs/dbraw/zinc/18/85/91/573188591.db2.gz IWRBIMKPNGHENX-UHFFFAOYSA-N 0 0 197.625 1.529 10 0 ADAERN N[S@](=O)c1cccc2ccccc12 225787208 573188624 /nfs/dbraw/zinc/18/86/24/573188624.db2.gz BZQAKUZSTKCBAA-CYBMUJFWSA-N 0 0 191.255 1.821 10 0 ADAERN C[C@H](Cc1ccc(Cl)nc1)C(N)=O 142134817 573188633 /nfs/dbraw/zinc/18/86/33/573188633.db2.gz KZIUNGHQTHGWGB-ZCFIWIBFSA-N 0 0 198.653 1.399 10 0 ADAERN Cc1ccc([C@@](C)([NH3+])CC(=O)[O-])nc1 104685328 573188637 /nfs/dbraw/zinc/18/86/37/573188637.db2.gz NQPBJBACUOWPCF-JTQLQIEISA-N 0 0 194.234 1.039 10 0 ADAERN CCC[C@H]1CN(CC(C)=O)C(=O)N1C 259363456 573188643 /nfs/dbraw/zinc/18/86/43/573188643.db2.gz IQWZBFQLQFTAMU-VIFPVBQESA-N 0 0 198.266 1.112 10 0 ADAERN C[C@@H](O)Cc1cc(O)cc2c1OCO2 257962740 573188681 /nfs/dbraw/zinc/18/86/81/573188681.db2.gz CAHQYYYGSYXBLC-ZCFIWIBFSA-N 0 0 196.202 1.044 10 0 ADAERN C[C@H]1CC[C@H](C)C1OC(=O)[C@@H](C)N 142124016 573188700 /nfs/dbraw/zinc/18/87/00/573188700.db2.gz QQFYQNSYXLUGJP-BIIVOSGPSA-N 0 0 185.267 1.311 10 0 ADAERN NOCCc1ccc(C2COC2)cc1 257962678 573188713 /nfs/dbraw/zinc/18/87/13/573188713.db2.gz BZKJKMXCFCNYDG-UHFFFAOYSA-N 0 0 193.246 1.233 10 0 ADAERN O[C@H]1CC(F)(F)C(F)(F)C1(F)F 142107551 573188716 /nfs/dbraw/zinc/18/87/16/573188716.db2.gz HJFVDVAOISEPES-REOHCLBHSA-N 0 0 194.074 1.657 10 0 ADAERN CCSCCCC(C)(CO)CO 132029755 573188724 /nfs/dbraw/zinc/18/87/24/573188724.db2.gz NLSNMOKAZSRUAJ-UHFFFAOYSA-N 0 0 192.324 1.511 10 0 ADAERN C[C@H](O)Cc1cc(O)cc2c1OCO2 257962737 573188740 /nfs/dbraw/zinc/18/87/40/573188740.db2.gz CAHQYYYGSYXBLC-LURJTMIESA-N 0 0 196.202 1.044 10 0 ADAERN CCOCCOC(=O)C(F)=C(C)C 308296757 573188763 /nfs/dbraw/zinc/18/87/63/573188763.db2.gz INQGNUOWFHQBFL-UHFFFAOYSA-N 0 0 190.214 1.830 10 0 ADAERN COc1ccc2c(=O)cc(N)[nH]c2c1 115376083 573188767 /nfs/dbraw/zinc/18/87/67/573188767.db2.gz UKPSQJKCKDVGGT-UHFFFAOYSA-N 0 0 190.202 1.531 10 0 ADAERN CN(C)C(=O)NC1C=CC=CC=C1 238306431 573188801 /nfs/dbraw/zinc/18/88/01/573188801.db2.gz LGVZOBNAKUSTJY-UHFFFAOYSA-N 0 0 178.235 1.308 10 0 ADAERN C/C(=C\C[NH2+][C@H]1CC12CC2)C(=O)[O-] 715613796 573188804 /nfs/dbraw/zinc/18/88/04/573188804.db2.gz GABJCMWDZIUPHW-RUIVOMMDSA-N 0 0 181.235 1.159 10 0 ADAERN CCOCCC(=O)O[C@@H]1C=CCC1 308299043 573188820 /nfs/dbraw/zinc/18/88/20/573188820.db2.gz JJSKNZRBRSASEM-SECBINFHSA-N 0 0 184.235 1.675 10 0 ADAERN C[C@@H](O)Cc1ccccc1CON 259361936 573188843 /nfs/dbraw/zinc/18/88/43/573188843.db2.gz GXNVOVAFMAHQSW-MRVPVSSYSA-N 0 0 181.235 1.000 10 0 ADAERN CC[C@@H](NC(C)=O)c1ccccc1N 238300027 573188926 /nfs/dbraw/zinc/18/89/26/573188926.db2.gz AGEIJDBHJGBZTF-LLVKDONJSA-N 0 0 192.262 1.856 10 0 ADAERN CCO[C@]1(C(C)C)NC(=O)C=C(C)O1 238306237 573188901 /nfs/dbraw/zinc/18/89/01/573188901.db2.gz SSWDUJNDJRDHAZ-JTQLQIEISA-N 0 0 199.250 1.383 10 0 ADAERN C/C=C/[C@@H]1NC(=O)C1(C)C 104690133 573189557 /nfs/dbraw/zinc/18/95/57/573189557.db2.gz DOPRARDCPPRVQE-OVCGOVNKSA-N 0 0 139.198 1.087 10 0 ADAERN O=C([O-])[C@H]1C[C@H]2CCCCC[C@@H]2[NH2+]1 142132258 573189604 /nfs/dbraw/zinc/18/96/04/573189604.db2.gz IXEADCPBHZIBFX-HRDYMLBCSA-N 0 0 183.251 1.382 10 0 ADAERN CC(C)C(OC(N)=O)C(C)C 142216916 573189651 /nfs/dbraw/zinc/18/96/51/573189651.db2.gz OWUUCBHKSSXUEJ-UHFFFAOYSA-N 0 0 159.229 1.762 10 0 ADAERN C[C@@H]1OC(=O)N[C@H](C)[C@@H]1C 104692389 573189680 /nfs/dbraw/zinc/18/96/80/573189680.db2.gz BEOPDTKJMRVTGC-JKUQZMGJSA-N 0 0 143.186 1.139 10 0 ADAERN CCON(C)C(=O)N[C@@H]1CC[C@H]1C 308298987 573189684 /nfs/dbraw/zinc/18/96/84/573189684.db2.gz JHMTWRTVLAVKGH-HTQZYQBOSA-N 0 0 186.255 1.378 10 0 ADAERN CNc1n[nH]c2ccc(N)cc12 142208662 573189724 /nfs/dbraw/zinc/18/97/24/573189724.db2.gz KARXTMOFQRNVKH-UHFFFAOYSA-N 0 0 162.196 1.187 10 0 ADAERN CC(=O)CC[C@]12CCC(=O)[C@H]1C2 222748039 573189734 /nfs/dbraw/zinc/18/97/34/573189734.db2.gz NROOZBDVCCNXBC-PSASIEDQSA-N 0 0 166.220 1.725 10 0 ADAERN CC/C=C(/C)CC(N)=O 104689573 573189748 /nfs/dbraw/zinc/18/97/48/573189748.db2.gz JEIROEQAHGPJGW-XQRVVYSFSA-N 0 0 127.187 1.218 10 0 ADAERN CC[C@]1(C(C)=O)CCCC1=O 238301345 573189789 /nfs/dbraw/zinc/18/97/89/573189789.db2.gz RLSJIDHKQPCHDO-SECBINFHSA-N 0 0 154.209 1.725 10 0 ADAERN CC(C)CCNC(=O)c1cc(N)on1 308513794 573189798 /nfs/dbraw/zinc/18/97/98/573189798.db2.gz UASMFIVLORWSRB-UHFFFAOYSA-N 0 0 197.238 1.033 10 0 ADAERN CC/C=C/CCOC(N)=O 104685595 573189803 /nfs/dbraw/zinc/18/98/03/573189803.db2.gz IZNCBVLVGDUPEY-ONEGZZNKSA-N 0 0 143.186 1.438 10 0 ADAERN CC(=O)CC[C@@]12CCC(=O)[C@@H]1C2 222747834 573189805 /nfs/dbraw/zinc/18/98/05/573189805.db2.gz NROOZBDVCCNXBC-WPRPVWTQSA-N 0 0 166.220 1.725 10 0 ADAERN CCON(C)C(=O)N[C@H]1CC[C@@H]1C 308298992 573189808 /nfs/dbraw/zinc/18/98/08/573189808.db2.gz JHMTWRTVLAVKGH-YUMQZZPRSA-N 0 0 186.255 1.378 10 0 ADAERN S=C1NCc2ccccc2CN1 142257461 573190568 /nfs/dbraw/zinc/19/05/68/573190568.db2.gz VZHMHRSXWGQNFT-UHFFFAOYSA-N 0 0 178.260 1.164 10 0 ADAERN COc1c(C)cc(CON)cc1O 257962669 573189868 /nfs/dbraw/zinc/18/98/68/573189868.db2.gz BZEOLGYPXLEVTF-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN CCC[C@](C)(O)[C@@H](O)CC 142239483 573189870 /nfs/dbraw/zinc/18/98/70/573189870.db2.gz LVJCJDMIBZEIJA-YUMQZZPRSA-N 0 0 146.230 1.308 10 0 ADAERN O=C1C[C@H](CO)Cc2occc21 142232197 573189876 /nfs/dbraw/zinc/18/98/76/573189876.db2.gz QNOFFRLDMJUTAB-LURJTMIESA-N 0 0 166.176 1.017 10 0 ADAERN C[C@@H](O)c1ccc(C2(O)CC2)cc1 257963213 573189890 /nfs/dbraw/zinc/18/98/90/573189890.db2.gz HETVQDZHIHZZNK-MRVPVSSYSA-N 0 0 178.231 1.721 10 0 ADAERN CCSCCC(C)(CO)CO 132029513 573189907 /nfs/dbraw/zinc/18/99/07/573189907.db2.gz RESBRENZYYYFJA-UHFFFAOYSA-N 0 0 178.297 1.121 10 0 ADAERN CC1(c2cncc(C=O)c2)OCCO1 115376944 573189916 /nfs/dbraw/zinc/18/99/16/573189916.db2.gz CLSNELFXKRLLRZ-UHFFFAOYSA-N 0 0 193.202 1.114 10 0 ADAERN C/C(=C/C[NH2+][C@H]1CC12CC2)C(=O)[O-] 715613789 573189920 /nfs/dbraw/zinc/18/99/20/573189920.db2.gz GABJCMWDZIUPHW-CDETVPHDSA-N 0 0 181.235 1.159 10 0 ADAERN Nc1cc([C@@H](O)C(F)(F)F)ccn1 115359539 573189930 /nfs/dbraw/zinc/18/99/30/573189930.db2.gz MNDHMXQUMNZQRP-ZCFIWIBFSA-N 0 0 192.140 1.260 10 0 ADAERN CCc1c(O)c(C)c(O)c(C)c1O 238302336 573189974 /nfs/dbraw/zinc/18/99/74/573189974.db2.gz RGCTVIVSJVITNK-UHFFFAOYSA-N 0 0 182.219 1.983 10 0 ADAERN COc1cccc2nc(C3CC3)nn12 257963083 573190575 /nfs/dbraw/zinc/19/05/75/573190575.db2.gz MBEAAXSZSITRSZ-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN CCNC(=O)Oc1ccc(O)cc1 142259595 573189999 /nfs/dbraw/zinc/18/99/99/573189999.db2.gz OQXWEEZCFDXZIR-UHFFFAOYSA-N 0 0 181.191 1.501 10 0 ADAERN O=C1C=C2CCCCN2C1 257963135 573190005 /nfs/dbraw/zinc/19/00/05/573190005.db2.gz HDIJLBTXCCBYCY-UHFFFAOYSA-N 0 0 137.182 1.530 10 0 ADAERN CC[C@]1(C(C)C)C(=O)NC[C@H](C)C1=O 238301464 573190060 /nfs/dbraw/zinc/19/00/60/573190060.db2.gz QIVQWKQIEZASCL-GZMMTYOYSA-N 0 0 197.278 1.374 10 0 ADAERN C[C@H](O)Oc1ccc(C=O)cc1 115406078 573190073 /nfs/dbraw/zinc/19/00/73/573190073.db2.gz ISQNXYRUWGYEGD-SSDOTTSWSA-N 0 0 166.176 1.216 10 0 ADAERN COC(=O)C1(c2cc[nH]c2)CC1 259362515 573190111 /nfs/dbraw/zinc/19/01/11/573190111.db2.gz UOBLVYRBUKPVIR-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN C[C@H]1CC(C)(C)N=CO1 142229481 573190124 /nfs/dbraw/zinc/19/01/24/573190124.db2.gz VUBSYYHYDJQFTB-LURJTMIESA-N 0 0 127.187 1.602 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1NC1CC1 115379976 573190125 /nfs/dbraw/zinc/19/01/25/573190125.db2.gz LKYREESRRJTLTP-RKDXNWHRSA-N 0 0 168.284 1.916 10 0 ADAERN COC(=O)N(C)[C@H](CO)CC(C)C 308296664 573190147 /nfs/dbraw/zinc/19/01/47/573190147.db2.gz ILSGKOIVFBJKNV-QMMMGPOBSA-N 0 0 189.255 1.092 10 0 ADAERN CC[C@@H]1CC(=O)CC(C)(C)O1 238300756 573190587 /nfs/dbraw/zinc/19/05/87/573190587.db2.gz LHPUUAYAIDZXTP-MRVPVSSYSA-N 0 0 156.225 1.923 10 0 ADAERN CCc1cccc(OC)c(=O)c1 238301953 573190256 /nfs/dbraw/zinc/19/02/56/573190256.db2.gz VRWOBYBAPJLAPM-UHFFFAOYSA-N 0 0 164.204 1.618 10 0 ADAERN CCc1c(N)nc(SC)[nH]c1=O 238301866 573190262 /nfs/dbraw/zinc/19/02/62/573190262.db2.gz GGBDQDDYQVFEIS-UHFFFAOYSA-N 0 0 185.252 1.049 10 0 ADAERN Cc1ccc2c(c1CCO)CCO2 257963254 573190273 /nfs/dbraw/zinc/19/02/73/573190273.db2.gz HFPCQYUGFCSQKY-UHFFFAOYSA-N 0 0 178.231 1.465 10 0 ADAERN CC[C@@H]1CC(=O)[C@H](CC)CC1=O 238302211 573190278 /nfs/dbraw/zinc/19/02/78/573190278.db2.gz DYOBJULDPFIPIT-HTQZYQBOSA-N 0 0 168.236 1.971 10 0 ADAERN CC[C@@H](C)COC(=O)CC[C@H](C)O 308297993 573190283 /nfs/dbraw/zinc/19/02/83/573190283.db2.gz KRRDWMWDPTXYIA-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN CCC(=O)[C@H]1OC(=O)C[C@H]1CC 238301311 573190311 /nfs/dbraw/zinc/19/03/11/573190311.db2.gz LLPCGUMHGRUZMW-MUWHJKNJSA-N 0 0 170.208 1.307 10 0 ADAERN C[C@H]1CCC[C@H](C)N1NC1CC1 115379980 573190312 /nfs/dbraw/zinc/19/03/12/573190312.db2.gz LKYREESRRJTLTP-IUCAKERBSA-N 0 0 168.284 1.916 10 0 ADAERN CCC(=O)OCc1cnccc1C 308296364 573190320 /nfs/dbraw/zinc/19/03/20/573190320.db2.gz KEHXPQXNWUQVPC-UHFFFAOYSA-N 0 0 179.219 1.843 10 0 ADAERN CC(C)C[C@H]1NC(=O)O[C@@H]1C 142234683 573190328 /nfs/dbraw/zinc/19/03/28/573190328.db2.gz YVWOMDRJZXBFKR-RNFRBKRXSA-N 0 0 157.213 1.529 10 0 ADAERN Cc1cc(O)cc([C@@H](C)CO)c1 257963210 573190346 /nfs/dbraw/zinc/19/03/46/573190346.db2.gz HEOMUQCVNLXTDL-QMMMGPOBSA-N 0 0 166.220 1.796 10 0 ADAERN CCOC(=S)NC1CCCC1 238301820 573190362 /nfs/dbraw/zinc/19/03/62/573190362.db2.gz BDVPGSZIWXNHOP-UHFFFAOYSA-N 0 0 173.281 1.840 10 0 ADAERN Cc1ccccc1/C=C/CON 258572873 573190364 /nfs/dbraw/zinc/19/03/64/573190364.db2.gz LKHAULDAYNAMLQ-QPJJXVBHSA-N 0 0 163.220 1.899 10 0 ADAERN C[C@]1(F)CCc2[nH]nc(N)c21 258486080 573190368 /nfs/dbraw/zinc/19/03/68/573190368.db2.gz JQQSTGNXIRHVOH-ZETCQYMHSA-N 0 0 155.176 1.123 10 0 ADAERN CCON(C)C(=O)N[C@@H]1CC[C@@H]1C 308298989 573190371 /nfs/dbraw/zinc/19/03/71/573190371.db2.gz JHMTWRTVLAVKGH-JGVFFNPUSA-N 0 0 186.255 1.378 10 0 ADAERN C[C@@H](Cc1ccc(Cl)nc1)C(N)=O 142134617 573190373 /nfs/dbraw/zinc/19/03/73/573190373.db2.gz KZIUNGHQTHGWGB-LURJTMIESA-N 0 0 198.653 1.399 10 0 ADAERN Cc1[nH]c(CO)nc1-c1cccnc1 258573426 573190382 /nfs/dbraw/zinc/19/03/82/573190382.db2.gz NRDHLZUQHNXDGF-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN CSc1nc(C)c(C(C)C)c(=O)[nH]1 142263609 573190448 /nfs/dbraw/zinc/19/04/48/573190448.db2.gz HDABVIGAMWHAER-UHFFFAOYSA-N 0 0 198.291 1.924 10 0 ADAERN CO[C@H]1C(=O)c2cccn2[C@@H]1C 142191222 573190459 /nfs/dbraw/zinc/19/04/59/573190459.db2.gz IMQBBPGUBUSTSE-HZGVNTEJSA-N 0 0 165.192 1.260 10 0 ADAERN CC(=O)c1cc(C)cc2c1OCO2 257963251 573190460 /nfs/dbraw/zinc/19/04/60/573190460.db2.gz HFLMHGPWGUVPEB-UHFFFAOYSA-N 0 0 178.187 1.926 10 0 ADAERN NC(=O)C=Cc1c[nH]c2ncccc12 142205050 573190539 /nfs/dbraw/zinc/19/05/39/573190539.db2.gz IDPBZXBJLRITSF-ONEGZZNKSA-N 0 0 187.202 1.061 10 0 ADAERN CC(C)C(=O)Cc1ccnc(F)c1 142203521 573190659 /nfs/dbraw/zinc/19/06/59/573190659.db2.gz LHNDTDBAUKTQFD-UHFFFAOYSA-N 0 0 181.210 1.988 10 0 ADAERN C[C@H](O)[C@@H]1CCC[C@@H](C)O1 142247000 573191152 /nfs/dbraw/zinc/19/11/52/573191152.db2.gz GTPAGYNQJSGVHP-CSMHCCOUSA-N 0 0 144.214 1.325 10 0 ADAERN CC(C)(CF)NCc1ccc(O)cn1 308514277 573190667 /nfs/dbraw/zinc/19/06/67/573190667.db2.gz MDDUMQVTJYOUGS-UHFFFAOYSA-N 0 0 198.241 1.625 10 0 ADAERN CCC[C@@](C)(O)[C@H](O)CC 142239682 573190702 /nfs/dbraw/zinc/19/07/02/573190702.db2.gz LVJCJDMIBZEIJA-HTQZYQBOSA-N 0 0 146.230 1.308 10 0 ADAERN CC[C@]1(C(C)=O)O[C@H]1C 238301426 573190703 /nfs/dbraw/zinc/19/07/03/573190703.db2.gz ZSDALBOOYZOZFH-NKWVEPMBSA-N 0 0 128.171 1.143 10 0 ADAERN C[C@H]1Oc2cc(N)ccc2NC1=S 142200004 573190731 /nfs/dbraw/zinc/19/07/31/573190731.db2.gz NBBKNQJSHRZVOS-RXMQYKEDSA-N 0 0 194.259 1.789 10 0 ADAERN C/C(=C\C[NH2+][C@@H]1CC12CC2)C(=O)[O-] 715613793 573191164 /nfs/dbraw/zinc/19/11/64/573191164.db2.gz GABJCMWDZIUPHW-LPJHWYKZSA-N 0 0 181.235 1.159 10 0 ADAERN CCON(C)C(=O)[C@@H]1C[C@]1(C)CC 308296351 573190742 /nfs/dbraw/zinc/19/07/42/573190742.db2.gz IJRVYDNPAKFJTN-WPRPVWTQSA-N 0 0 185.267 1.833 10 0 ADAERN C/C=C/[C@@H](C)NC(C)=O 104690077 573190750 /nfs/dbraw/zinc/19/07/50/573190750.db2.gz YJGKYKJXGVIIGE-BMMSZFGTSA-N 0 0 127.187 1.087 10 0 ADAERN C/C=C/C(=O)OCc1cnoc1C 308299362 573190764 /nfs/dbraw/zinc/19/07/64/573190764.db2.gz LCYBZLLFIATKTO-ONEGZZNKSA-N 0 0 181.191 1.602 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)c1ccco1 689930986 573190780 /nfs/dbraw/zinc/19/07/80/573190780.db2.gz QHYGOWKJNBHWNQ-ZQARSLAVSA-N 0 0 168.192 1.348 10 0 ADAERN CC(C)(F)c1nc(CNC2CC2)no1 308514286 573190786 /nfs/dbraw/zinc/19/07/86/573190786.db2.gz UFBJRWLXKKUOEH-UHFFFAOYSA-N 0 0 199.229 1.526 10 0 ADAERN C[C@H](N)c1nnc(NCC2(C)CC2)o1 235514289 573190797 /nfs/dbraw/zinc/19/07/97/573190797.db2.gz LQAYDVLYNIHQKC-LURJTMIESA-N 0 0 196.254 1.301 10 0 ADAERN c1coc(Cc2c[nH]cn2)c1 104691682 573191167 /nfs/dbraw/zinc/19/11/67/573191167.db2.gz PPQNKAGZUSXIJR-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN CCO[C@@H](C(=O)COC)C(C)C 132038514 573190822 /nfs/dbraw/zinc/19/08/22/573190822.db2.gz MQKRYOMOHYJQET-SECBINFHSA-N 0 0 174.240 1.263 10 0 ADAERN CNC(=O)Oc1cc(C)nn1C(C)C 238300997 573190824 /nfs/dbraw/zinc/19/08/24/573190824.db2.gz IPCVNAKWWZVZBU-UHFFFAOYSA-N 0 0 197.238 1.491 10 0 ADAERN COc1ccc2c(=O)ccoc2c1O 142198078 573190837 /nfs/dbraw/zinc/19/08/37/573190837.db2.gz YNWVGTLBBLJHQK-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN CC[C@]1(C(N)=O)CCCC(C)(C)O1 238301556 573190844 /nfs/dbraw/zinc/19/08/44/573190844.db2.gz RMYMIAUTIDRUDV-SNVBAGLBSA-N 0 0 185.267 1.600 10 0 ADAERN CC[C@@](F)(Br)[C@H](C)O 238302011 573191169 /nfs/dbraw/zinc/19/11/69/573191169.db2.gz IQCQLAAGENNOHY-WHFBIAKZSA-N 0 0 185.036 1.838 10 0 ADAERN CO[C@@H]1C(=O)c2cccn2[C@H]1C 142191010 573190892 /nfs/dbraw/zinc/19/08/92/573190892.db2.gz IMQBBPGUBUSTSE-RCOVLWMOSA-N 0 0 165.192 1.260 10 0 ADAERN CC[C@H](C)[C@@H]1C[C@@H](O)CC(=O)O1 238300642 573190902 /nfs/dbraw/zinc/19/09/02/573190902.db2.gz RFPFMJFNGDALEO-RNJXMRFFSA-N 0 0 172.224 1.099 10 0 ADAERN CCc1c(N)c(=O)oc2ccccc12 238301207 573190903 /nfs/dbraw/zinc/19/09/03/573190903.db2.gz WRQHXGTVYSFRBP-UHFFFAOYSA-N 0 0 189.214 1.938 10 0 ADAERN CC[C@H](C)COC(=O)CC[C@@H](C)O 308297994 573190914 /nfs/dbraw/zinc/19/09/14/573190914.db2.gz KRRDWMWDPTXYIA-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN CC[C@@](F)(Br)[C@@H](C)O 238302004 573190919 /nfs/dbraw/zinc/19/09/19/573190919.db2.gz IQCQLAAGENNOHY-UHNVWZDZSA-N 0 0 185.036 1.838 10 0 ADAERN CCOC(=O)n1c(C)c[nH]c1=S 238300821 573192155 /nfs/dbraw/zinc/19/21/55/573192155.db2.gz LNCOOTLTAUDPBN-UHFFFAOYSA-N 0 0 186.236 1.859 10 0 ADAERN C[C@@H]1Oc2cccc(N)c2NC1=S 142227535 573190924 /nfs/dbraw/zinc/19/09/24/573190924.db2.gz AECZMJJEXKZFSJ-YFKPBYRVSA-N 0 0 194.259 1.789 10 0 ADAERN Cc1oncc1C(=O)N1CCSC1 585464442 573190925 /nfs/dbraw/zinc/19/09/25/573190925.db2.gz QSCZBYHJNZPVOB-UHFFFAOYSA-N 0 0 198.247 1.130 10 0 ADAERN Nc1ncc(C2CCCC2)c(=O)[nH]1 258572607 573190936 /nfs/dbraw/zinc/19/09/36/573190936.db2.gz QATNBLVSEITCRD-UHFFFAOYSA-N 0 0 179.223 1.422 10 0 ADAERN CONCCc1scnc1C 82784262 573190957 /nfs/dbraw/zinc/19/09/57/573190957.db2.gz ZCEYMNGEBPNKAR-UHFFFAOYSA-N 0 0 172.253 1.145 10 0 ADAERN OCC1(c2ccccc2Cl)COC1 258572765 573190994 /nfs/dbraw/zinc/19/09/94/573190994.db2.gz LIYQORMCXABMBM-UHFFFAOYSA-N 0 0 198.649 1.600 10 0 ADAERN CSCc1ncc(N)o1 257962765 573191012 /nfs/dbraw/zinc/19/10/12/573191012.db2.gz YPPMCOGTBDQNRG-UHFFFAOYSA-N 0 0 144.199 1.120 10 0 ADAERN CCc1c(N)cc(OC)cc1OC 238301388 573191013 /nfs/dbraw/zinc/19/10/13/573191013.db2.gz NWKSKXPEKHJIAB-UHFFFAOYSA-N 0 0 181.235 1.848 10 0 ADAERN CC[C@H](C)[C@@]([NH3+])(CC)C(=O)[O-] 238302054 573191036 /nfs/dbraw/zinc/19/10/36/573191036.db2.gz HAOAJQOSMHKYQW-XPUUQOCRSA-N 0 0 159.229 1.225 10 0 ADAERN Oc1cccc2c1OCCCN2 259363639 573191043 /nfs/dbraw/zinc/19/10/43/573191043.db2.gz VCASVZFVWAYBRU-UHFFFAOYSA-N 0 0 165.192 1.587 10 0 ADAERN CC(C)Oc1noc2c1C(=O)CCC2 142222092 573191051 /nfs/dbraw/zinc/19/10/51/573191051.db2.gz DIFYBMNGWLEZRK-UHFFFAOYSA-N 0 0 195.218 1.981 10 0 ADAERN C/C=C/[C@H]1NC(=O)C1(C)C 104690127 573191072 /nfs/dbraw/zinc/19/10/72/573191072.db2.gz DOPRARDCPPRVQE-BMMSZFGTSA-N 0 0 139.198 1.087 10 0 ADAERN CC(C)C[C@H]1NC(=O)O[C@H]1C 142198393 573191081 /nfs/dbraw/zinc/19/10/81/573191081.db2.gz YVWOMDRJZXBFKR-NKWVEPMBSA-N 0 0 157.213 1.529 10 0 ADAERN O=C1C=C2CSCC(=O)N2C1 257963129 573191089 /nfs/dbraw/zinc/19/10/89/573191089.db2.gz HDBRYJWYDRQMRA-UHFFFAOYSA-N 0 0 169.205 1.081 10 0 ADAERN O=C(Cn1cccc1)N1CCSC1 585463882 573191104 /nfs/dbraw/zinc/19/11/04/573191104.db2.gz LHAPFPUCEQBJBH-UHFFFAOYSA-N 0 0 196.275 1.021 10 0 ADAERN O=c1nc([C@@H]2CCCCO2)o[nH]1 257962956 573191123 /nfs/dbraw/zinc/19/11/23/573191123.db2.gz JLSGVRINSWTLFG-YFKPBYRVSA-N 0 0 170.168 1.017 10 0 ADAERN C[C@H]1SCCN1C(=O)CC1CC1 585464552 573191135 /nfs/dbraw/zinc/19/11/35/573191135.db2.gz RPABYNRVZYSKIC-SSDOTTSWSA-N 0 0 185.292 1.708 10 0 ADAERN COc1ccc(NC(C)=O)c(C=O)c1 115366772 573191193 /nfs/dbraw/zinc/19/11/93/573191193.db2.gz VYKJLZNNMBOECK-UHFFFAOYSA-N 0 0 193.202 1.466 10 0 ADAERN CC[C@]1(C(C)C)C(=O)NC[C@@H](C)C1=O 238301455 573191200 /nfs/dbraw/zinc/19/12/00/573191200.db2.gz QIVQWKQIEZASCL-LDYMZIIASA-N 0 0 197.278 1.374 10 0 ADAERN CCOC(=S)NC1CC1 238301806 573191217 /nfs/dbraw/zinc/19/12/17/573191217.db2.gz DGWJHJIJXXKMES-UHFFFAOYSA-N 0 0 145.227 1.060 10 0 ADAERN C[NH2+][C@@H](C[C@@H](C)C(=O)[O-])c1cc[nH]c1 259359481 573191229 /nfs/dbraw/zinc/19/12/29/573191229.db2.gz KZOOBZDBSAWCCF-APPZFPTMSA-N 0 0 196.250 1.386 10 0 ADAERN Nc1nc(Cl)cc2cc[nH]c(=O)c12 115359875 573191238 /nfs/dbraw/zinc/19/12/38/573191238.db2.gz FVWKFWCBVACUNI-UHFFFAOYSA-N 0 0 195.609 1.159 10 0 ADAERN Fc1cnc2c(c1)OCCN2 259361823 573191244 /nfs/dbraw/zinc/19/12/44/573191244.db2.gz QDJDVDRNCYRMLN-UHFFFAOYSA-N 0 0 154.144 1.025 10 0 ADAERN CC[C@H](C)[C@@H]1OC(=O)N[C@@H]1C 238301185 573191263 /nfs/dbraw/zinc/19/12/63/573191263.db2.gz NCGYUHWOSYCZNF-XVMARJQXSA-N 0 0 157.213 1.529 10 0 ADAERN C1=COc2ccccc2CN1 104690328 573191288 /nfs/dbraw/zinc/19/12/88/573191288.db2.gz DEYSBKHQCRBATH-UHFFFAOYSA-N 0 0 147.177 1.640 10 0 ADAERN CNC(=O)Oc1ccc(C)c(CO)c1 238301225 573191300 /nfs/dbraw/zinc/19/13/00/573191300.db2.gz PKZJAUVDQNASEV-UHFFFAOYSA-N 0 0 195.218 1.206 10 0 ADAERN CC(C)(O)[C@@H]1C[C@@H]1C(F)(F)F 258486139 573191317 /nfs/dbraw/zinc/19/13/17/573191317.db2.gz JREODTFCAXYVGW-UHNVWZDZSA-N 0 0 168.158 1.956 10 0 ADAERN CC(=S)NC1CC1 104691596 573191318 /nfs/dbraw/zinc/19/13/18/573191318.db2.gz FTXNEZBEKIJPKB-UHFFFAOYSA-N 0 0 115.201 1.086 10 0 ADAERN CNC(=O)Oc1ccc(OC)c(C)c1 238301595 573191335 /nfs/dbraw/zinc/19/13/35/573191335.db2.gz DPLNFNDHGYCZLF-UHFFFAOYSA-N 0 0 195.218 1.722 10 0 ADAERN CC(C)(O)[C@H]1C[C@@H]1C(F)(F)F 258486142 573191341 /nfs/dbraw/zinc/19/13/41/573191341.db2.gz JREODTFCAXYVGW-WHFBIAKZSA-N 0 0 168.158 1.956 10 0 ADAERN C=Cc1ccc2nccnc2n1 115373977 573191350 /nfs/dbraw/zinc/19/13/50/573191350.db2.gz PRWYUXWVDCSPQR-UHFFFAOYSA-N 0 0 157.176 1.668 10 0 ADAERN C1=NN[C@H](c2ccco2)C1 142266260 573191378 /nfs/dbraw/zinc/19/13/78/573191378.db2.gz CSBPBENWVUPLCH-LURJTMIESA-N 0 0 136.154 1.300 10 0 ADAERN C[C@@H]1NC(=O)O[C@@H](C)[C@@H]1C 104692386 573191384 /nfs/dbraw/zinc/19/13/84/573191384.db2.gz BEOPDTKJMRVTGC-SRQIZXRXSA-N 0 0 143.186 1.139 10 0 ADAERN CCc1c(OC)cc(O)c(C)c1O 238302351 573191395 /nfs/dbraw/zinc/19/13/95/573191395.db2.gz HZSSGUIUUCMDDY-UHFFFAOYSA-N 0 0 182.219 1.977 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)c1ccco1 689930982 573191410 /nfs/dbraw/zinc/19/14/10/573191410.db2.gz QHYGOWKJNBHWNQ-FTLITQJKSA-N 0 0 168.192 1.348 10 0 ADAERN CCC1=NC(=C2CCCC2)C(=O)N1 238301222 573191420 /nfs/dbraw/zinc/19/14/20/573191420.db2.gz MLRVINKIWKDLAR-UHFFFAOYSA-N 0 0 178.235 1.753 10 0 ADAERN C=COCCOC(=O)CC1(C)CC1 308303928 573191432 /nfs/dbraw/zinc/19/14/32/573191432.db2.gz NJIGUJSYQRSKGM-UHFFFAOYSA-N 0 0 184.235 1.880 10 0 ADAERN CCc1cccc(OC)c1C(N)=O 238302024 573191435 /nfs/dbraw/zinc/19/14/35/573191435.db2.gz GIZCDLMBEQGNOY-UHFFFAOYSA-N 0 0 179.219 1.357 10 0 ADAERN CCN1C(=O)[C@H](C)Oc2ccccc21 259362015 573191438 /nfs/dbraw/zinc/19/14/38/573191438.db2.gz PBPHFSCPAQUHBZ-QMMMGPOBSA-N 0 0 191.230 1.820 10 0 ADAERN Cc1cc(-c2ncccn2)n[nH]1 142135131 573191446 /nfs/dbraw/zinc/19/14/46/573191446.db2.gz ZSOBZPLCWIJEEV-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN CC(C)(O)[C@@H]1C[C@H]1C(F)(F)F 258486138 573191450 /nfs/dbraw/zinc/19/14/50/573191450.db2.gz JREODTFCAXYVGW-RFZPGFLSSA-N 0 0 168.158 1.956 10 0 ADAERN CC[C@H](C)[C@@]1(C)CNC(=O)OC1 238302140 573191456 /nfs/dbraw/zinc/19/14/56/573191456.db2.gz GSEQFNAOPAPWOL-CBAPKCEASA-N 0 0 171.240 1.779 10 0 ADAERN C[C@@]1(F)CCc2[nH]nc(N)c21 258486076 573191460 /nfs/dbraw/zinc/19/14/60/573191460.db2.gz JQQSTGNXIRHVOH-SSDOTTSWSA-N 0 0 155.176 1.123 10 0 ADAERN CCc1cccc(F)c1CON 238300767 573191463 /nfs/dbraw/zinc/19/14/63/573191463.db2.gz MYFKRWOWDQRAAQ-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN COC(=O)C1=CC(C)(C)CC1 258486073 573191501 /nfs/dbraw/zinc/19/15/01/573191501.db2.gz JQQSSWWYVCHZKX-UHFFFAOYSA-N 0 0 154.209 1.906 10 0 ADAERN CC(=O)c1cnoc1-c1ccncc1 259363431 573191510 /nfs/dbraw/zinc/19/15/10/573191510.db2.gz VAZWDRUDVNNQAW-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN CCSc1ncc2nc[nH]c2n1 142226236 573191534 /nfs/dbraw/zinc/19/15/34/573191534.db2.gz FTZAKGFFWNBNHC-UHFFFAOYSA-N 0 0 180.236 1.465 10 0 ADAERN C[C@@H]1CC(c2ccccn2)=NNC1=N 82787199 573192277 /nfs/dbraw/zinc/19/22/77/573192277.db2.gz YIMYDQDCGDQCTN-SSDOTTSWSA-N 0 0 188.234 1.183 10 0 ADAERN CC(C)C1CCC(=N)N=N1 82786714 573191675 /nfs/dbraw/zinc/19/16/75/573191675.db2.gz MOKHMNGWQRWBKA-UHFFFAOYSA-N 0 0 139.202 1.149 10 0 ADAERN CN(O)CC[C@@H]1CCCS1 258572477 573191688 /nfs/dbraw/zinc/19/16/88/573191688.db2.gz RSRFYQQNRYFMGA-ZETCQYMHSA-N 0 0 161.270 1.593 10 0 ADAERN CNC(=O)Oc1ccc(CO)c(C)c1 238301397 573191700 /nfs/dbraw/zinc/19/17/00/573191700.db2.gz FZIRRGFEIJVYLK-UHFFFAOYSA-N 0 0 195.218 1.206 10 0 ADAERN OCc1cc2c(cc1CO)CCCC2 142208654 573191701 /nfs/dbraw/zinc/19/17/01/573191701.db2.gz RTNZBLNBWYCIGD-UHFFFAOYSA-N 0 0 192.258 1.550 10 0 ADAERN O=C1CCC[C@@]2(CC[C@H](O)C2)C1 222750620 573191718 /nfs/dbraw/zinc/19/17/18/573191718.db2.gz ZGCPWGWQSHAOQG-VHSXEESVSA-N 0 0 168.236 1.661 10 0 ADAERN C[C@@H](CC1(O)COC1)C(C)(C)C 642867153 573191727 /nfs/dbraw/zinc/19/17/27/573191727.db2.gz NHXZRVUIUFJLIS-QMMMGPOBSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@]1(C(C)=O)C[C@H]1C(C)=O 238301394 573192501 /nfs/dbraw/zinc/19/25/01/573192501.db2.gz HFLRWUHOCLIERO-DTWKUNHWSA-N 0 0 154.209 1.581 10 0 ADAERN O=Cc1c(F)cccc1C1OCCO1 142234141 573191779 /nfs/dbraw/zinc/19/17/79/573191779.db2.gz JWVZGMDAMUGWTE-UHFFFAOYSA-N 0 0 196.177 1.684 10 0 ADAERN CCc1cccc(OC)c1C(=O)NC 238301988 573191784 /nfs/dbraw/zinc/19/17/84/573191784.db2.gz WFEVGYRPBJOREV-UHFFFAOYSA-N 0 0 193.246 1.617 10 0 ADAERN O=NSc1ncc[nH]1 104690141 573191795 /nfs/dbraw/zinc/19/17/95/573191795.db2.gz GZWIHSUFITYHQK-UHFFFAOYSA-N 0 0 129.144 1.183 10 0 ADAERN CCc1cc(=O)[nH]n1C(C)C 258572509 573191824 /nfs/dbraw/zinc/19/18/24/573191824.db2.gz RTEGEQJWOQXWPU-UHFFFAOYSA-N 0 0 154.213 1.732 10 0 ADAERN CCC[C@H](C)OC(=O)CC[C@H](C)O 308302136 573191834 /nfs/dbraw/zinc/19/18/34/573191834.db2.gz MLRKKXKQPLQVBJ-IUCAKERBSA-N 0 0 188.267 1.879 10 0 ADAERN CCO[C@@H](CC)C(=O)c1cn(C)cn1 308515305 573191842 /nfs/dbraw/zinc/19/18/42/573191842.db2.gz DYPDFIXAENBTFL-VIFPVBQESA-N 0 0 196.250 1.418 10 0 ADAERN CC[C@@H](C)N(C)C(=O)c1ccno1 308301521 573191862 /nfs/dbraw/zinc/19/18/62/573191862.db2.gz MFHHAYMAGXYSDD-SSDOTTSWSA-N 0 0 182.223 1.545 10 0 ADAERN CCOC(=O)n1ncc2c(C)ccn21 238301380 573192505 /nfs/dbraw/zinc/19/25/05/573192505.db2.gz AWYGBAIGIWECTJ-UHFFFAOYSA-N 0 0 193.206 1.449 10 0 ADAERN CC[C@@H](NC=O)c1ccccn1 238301891 573191902 /nfs/dbraw/zinc/19/19/02/573191902.db2.gz HBTATUFAJINHRK-MRVPVSSYSA-N 0 0 164.208 1.279 10 0 ADAERN C[C@@H]1CC(c2cccnc2)=NNC1=N 82787247 573192509 /nfs/dbraw/zinc/19/25/09/573192509.db2.gz PIBAWKCGFVUWMF-SSDOTTSWSA-N 0 0 188.234 1.183 10 0 ADAERN CCC[C@@](C[NH3+])(C(=O)[O-])C(F)F 257963807 573191931 /nfs/dbraw/zinc/19/19/31/573191931.db2.gz XQXOIRSGYFPQJR-ZETCQYMHSA-N 0 0 181.182 1.081 10 0 ADAERN CC[C@H](C)N(C)C(=O)c1ccno1 308301522 573191935 /nfs/dbraw/zinc/19/19/35/573191935.db2.gz MFHHAYMAGXYSDD-ZETCQYMHSA-N 0 0 182.223 1.545 10 0 ADAERN CC[C@@H]1CC(=O)NCC(C)(C)C1 238301177 573191947 /nfs/dbraw/zinc/19/19/47/573191947.db2.gz YSFDFTPCFBKRFI-MRVPVSSYSA-N 0 0 169.268 1.949 10 0 ADAERN O=C1CCC[C@@]2(CC[C@@H](O)C2)C1 222750732 573191957 /nfs/dbraw/zinc/19/19/57/573191957.db2.gz ZGCPWGWQSHAOQG-NXEZZACHSA-N 0 0 168.236 1.661 10 0 ADAERN CC[C@H](C(=O)NC(N)=O)C1=CCCC1 238301119 573192004 /nfs/dbraw/zinc/19/20/04/573192004.db2.gz HAFFKNGBZYOZFP-QMMMGPOBSA-N 0 0 196.250 1.318 10 0 ADAERN CN(O)CC[C@H]1CCCS1 258572472 573192006 /nfs/dbraw/zinc/19/20/06/573192006.db2.gz RSRFYQQNRYFMGA-SSDOTTSWSA-N 0 0 161.270 1.593 10 0 ADAERN Fc1cccc(CNC2=NCCO2)c1 115411490 573192027 /nfs/dbraw/zinc/19/20/27/573192027.db2.gz ZDVOPXFOZVVLAD-UHFFFAOYSA-N 0 0 194.209 1.302 10 0 ADAERN CN1C(=O)c2c(Cl)cccc2[C@H]1O 238302393 573192036 /nfs/dbraw/zinc/19/20/36/573192036.db2.gz DSNVLARXTICNHP-MRVPVSSYSA-N 0 0 197.621 1.417 10 0 ADAERN CSC[C@@H](O)COc1ccccc1 308303254 573192068 /nfs/dbraw/zinc/19/20/68/573192068.db2.gz MAVLBOYMJSCOPW-VIFPVBQESA-N 0 0 198.287 1.789 10 0 ADAERN CC1(C)CC(C)(C)[C@@](C)(O)C1=O 142247939 573192093 /nfs/dbraw/zinc/19/20/93/573192093.db2.gz BVGZQSXRPLGOHY-JTQLQIEISA-N 0 0 170.252 1.763 10 0 ADAERN CC[C@@](CO)(C(C)C)[C@H](C)O 238301529 573192094 /nfs/dbraw/zinc/19/20/94/573192094.db2.gz KYOVPNBZGOGELI-DTWKUNHWSA-N 0 0 160.257 1.412 10 0 ADAERN CC[C@H](C)C1N=NC(=N)C[C@@H]1C 82786984 573192099 /nfs/dbraw/zinc/19/20/99/573192099.db2.gz JIAFXPLWBRZAST-BQBZGAKWSA-N 0 0 167.256 1.786 10 0 ADAERN CC[C@@H]1CC(=O)C[C@@H](OC)O1 238300995 573192103 /nfs/dbraw/zinc/19/21/03/573192103.db2.gz ZLWWYFFUVPHAJS-SFYZADRCSA-N 0 0 158.197 1.117 10 0 ADAERN CC[C@H](C)C1CCC(=N)N=N1 82786695 573192108 /nfs/dbraw/zinc/19/21/08/573192108.db2.gz HTGSUILKYBZTNI-LURJTMIESA-N 0 0 153.229 1.540 10 0 ADAERN CC[C@H](C)[C@@H]1NC(=O)C(=C(C)N)C1=O 238300811 573192109 /nfs/dbraw/zinc/19/21/09/573192109.db2.gz WRLCNTLBRVUTFI-XNCJUZBTSA-N 0 0 196.250 1.383 10 0 ADAERN C/C=C/C=C\C(=O)NCCCCF 308301576 573192126 /nfs/dbraw/zinc/19/21/26/573192126.db2.gz MGRVSHWOLLWLDB-SWBALALESA-N 0 0 185.242 1.985 10 0 ADAERN C[C@H]1CC(C2CCOCC2)N=NC1=N 82787192 573192134 /nfs/dbraw/zinc/19/21/34/573192134.db2.gz YIERGASWGBIHHK-ZETCQYMHSA-N 0 0 195.266 1.166 10 0 ADAERN CC1(C)CCc2nc(C=O)cn2C1 142124526 573192137 /nfs/dbraw/zinc/19/21/37/573192137.db2.gz SEOMGBFEZSRSQR-UHFFFAOYSA-N 0 0 178.235 1.668 10 0 ADAERN COCc1nnc2cccc(Cl)n12 258572783 573192140 /nfs/dbraw/zinc/19/21/40/573192140.db2.gz QDEDPJJDKAVQHF-UHFFFAOYSA-N 0 0 197.625 1.529 10 0 ADAERN CCCCSCNC=O 104690995 573192149 /nfs/dbraw/zinc/19/21/49/573192149.db2.gz ODVCINRXYDCCPW-UHFFFAOYSA-N 0 0 147.243 1.223 10 0 ADAERN CC[C@@H]1CC(=O)Nc2c1cnn2CC 238301286 573192166 /nfs/dbraw/zinc/19/21/66/573192166.db2.gz WBGLXLKOFWVSEJ-SSDOTTSWSA-N 0 0 193.250 1.739 10 0 ADAERN CCOc1ccncc1[C@@H](O)C1CC1 308516560 573192221 /nfs/dbraw/zinc/19/22/21/573192221.db2.gz VHYCXDLQDIDHRQ-NSHDSACASA-N 0 0 193.246 1.924 10 0 ADAERN C[C@H]1CC(=N)N=NC1C1CC1 82786939 573192231 /nfs/dbraw/zinc/19/22/31/573192231.db2.gz BWDFFOQLXQGFOU-YFKPBYRVSA-N 0 0 151.213 1.149 10 0 ADAERN CCc1cccc(N)c1NC 238301413 573192234 /nfs/dbraw/zinc/19/22/34/573192234.db2.gz BTUMKUOJDWAMPB-UHFFFAOYSA-N 0 0 150.225 1.873 10 0 ADAERN C[C@@H](O)Cc1cnc([C@H]2CCOC2)o1 257963462 573192247 /nfs/dbraw/zinc/19/22/47/573192247.db2.gz GMHVYUBEZZUFPQ-SFYZADRCSA-N 0 0 197.234 1.102 10 0 ADAERN CNC(=O)Oc1cc(C)cc(N)c1 238300920 573192256 /nfs/dbraw/zinc/19/22/56/573192256.db2.gz UHZXWTVBHHTGKB-UHFFFAOYSA-N 0 0 180.207 1.295 10 0 ADAERN CC[C@@H](C)C1C[C@H](C)C(=N)N=N1 82787233 573192269 /nfs/dbraw/zinc/19/22/69/573192269.db2.gz XJRAORYWLGGCJH-RQJHMYQMSA-N 0 0 167.256 1.786 10 0 ADAERN CC[C@@H](C)C1N=NC(=N)C[C@@H]1C 82786983 573192310 /nfs/dbraw/zinc/19/23/10/573192310.db2.gz JIAFXPLWBRZAST-RQJHMYQMSA-N 0 0 167.256 1.786 10 0 ADAERN Cc1ncc(-c2ccc(N)nc2)o1 142240828 573192314 /nfs/dbraw/zinc/19/23/14/573192314.db2.gz SSWCXQXQJZCKAX-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCOC(=O)c1c(O)ccc(C)c1O 238302071 573192284 /nfs/dbraw/zinc/19/22/84/573192284.db2.gz ADSNYVJGCKJRJH-UHFFFAOYSA-N 0 0 196.202 1.583 10 0 ADAERN Nc1cc([C@@H]2CCSC2)on1 259363149 573192294 /nfs/dbraw/zinc/19/22/94/573192294.db2.gz UZCIGEBWCMTWKP-RXMQYKEDSA-N 0 0 170.237 1.477 10 0 ADAERN CCC(C)(C)CN[C@@H]1CCOC1=O 308302538 573192298 /nfs/dbraw/zinc/19/22/98/573192298.db2.gz MQXGZEJXQDWIAC-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN O=C1CC[C@H](c2ccc(=O)[nH]c2)C1 142213515 573192303 /nfs/dbraw/zinc/19/23/03/573192303.db2.gz GLCJTZKABPYBGK-ZETCQYMHSA-N 0 0 177.203 1.212 10 0 ADAERN O[C@H](P)c1ccccc1 142228250 573192349 /nfs/dbraw/zinc/19/23/49/573192349.db2.gz JFONQXPQICOWHR-SSDOTTSWSA-N 0 0 140.122 1.553 10 0 ADAERN OCc1ccc2ncccc2c1F 115364569 573192322 /nfs/dbraw/zinc/19/23/22/573192322.db2.gz OOMRBTYKSRGNTG-UHFFFAOYSA-N 0 0 177.178 1.866 10 0 ADAERN CC/C=C/CNC(C)=O 104691239 573192347 /nfs/dbraw/zinc/19/23/47/573192347.db2.gz UFUWYKFSJRSDGS-SNAWJCMRSA-N 0 0 127.187 1.089 10 0 ADAERN N=C1CCC(c2ccccc2F)=NN1 82786688 573192351 /nfs/dbraw/zinc/19/23/51/573192351.db2.gz PFEKHRJKPATFBB-UHFFFAOYSA-N 0 0 191.209 1.681 10 0 ADAERN C[C@H]1CC(=N)NN=C1c1ccccn1 82786956 573192394 /nfs/dbraw/zinc/19/23/94/573192394.db2.gz QESCGEXYCQOLDL-ZETCQYMHSA-N 0 0 188.234 1.183 10 0 ADAERN CCCC/C=C1/CNC1=O 104690574 573192404 /nfs/dbraw/zinc/19/24/04/573192404.db2.gz WLLZIVPOFHGLKB-ALCCZGGFSA-N 0 0 139.198 1.233 10 0 ADAERN CC(=O)N(C)[C@H](CO)c1ccc(C)o1 259362927 573192427 /nfs/dbraw/zinc/19/24/27/573192427.db2.gz QFRMSQHKEWNTJC-SECBINFHSA-N 0 0 197.234 1.100 10 0 ADAERN CCc1c(N)nc2ccc(Cl)nn12 238301875 573192428 /nfs/dbraw/zinc/19/24/28/573192428.db2.gz MNTAQJISSYMZHB-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN CC[C@@H]1CC(=N)N=NC1C1CC1 82786782 573192433 /nfs/dbraw/zinc/19/24/33/573192433.db2.gz BRHYLINRIRJVSG-ZCFIWIBFSA-N 0 0 165.240 1.540 10 0 ADAERN CC/C(=C\C[NH2+][C@@H]1CC12CC2)C(=O)[O-] 715607644 573192436 /nfs/dbraw/zinc/19/24/36/573192436.db2.gz CGPCGVRNWWFJFZ-QZGLAHODSA-N 0 0 195.262 1.550 10 0 ADAERN CN1[C@H](c2ccccc2)C[C@@H](O)N1C 238302307 573192449 /nfs/dbraw/zinc/19/24/49/573192449.db2.gz ALFAEPQJOKENCU-WDEREUQCSA-N 0 0 192.262 1.228 10 0 ADAERN CC[C@@]([NH3+])(C(=O)[O-])C1=CC[C@@H](C)CC1 238302236 573192456 /nfs/dbraw/zinc/19/24/56/573192456.db2.gz OFCAJXOZBUZDEQ-KCJUWKMLSA-N 0 0 197.278 1.925 10 0 ADAERN COC(=O)[C@H](C)NC[C@H]1C[C@@H]1C1CC1 308516608 573192490 /nfs/dbraw/zinc/19/24/90/573192490.db2.gz MYQFSCMBPZKFQS-FXBDTBDDSA-N 0 0 197.278 1.184 10 0 ADAERN CCC[NH2+]Cc1cc(C(=O)[O-])c(C)[nH]1 308515357 573193951 /nfs/dbraw/zinc/19/39/51/573193951.db2.gz FBLJXOHPWAPEOB-UHFFFAOYSA-N 0 0 196.250 1.521 10 0 ADAERN CCc1ncc([C@H](C)CO)o1 257963504 573193957 /nfs/dbraw/zinc/19/39/57/573193957.db2.gz GNGOIDXVVMOZIE-ZCFIWIBFSA-N 0 0 155.197 1.333 10 0 ADAERN CNC1(c2cc(F)ccc2F)COC1 259364581 573193972 /nfs/dbraw/zinc/19/39/72/573193972.db2.gz VADZAUOAIOSLIH-UHFFFAOYSA-N 0 0 199.200 1.410 10 0 ADAERN CC[C@@H]1CC(=O)NC(=O)C1(CC)CC 238301140 573194016 /nfs/dbraw/zinc/19/40/16/573194016.db2.gz LLSGAEVGNCNIPV-MRVPVSSYSA-N 0 0 197.278 1.866 10 0 ADAERN CC[C@H](C)ONC(=O)NCC(C)C 308300887 573193257 /nfs/dbraw/zinc/19/32/57/573193257.db2.gz LVIISWNTVDYNQI-QMMMGPOBSA-N 0 0 188.271 1.672 10 0 ADAERN CC(=O)c1ccc(Cl)[nH]1 142261838 573193258 /nfs/dbraw/zinc/19/32/58/573193258.db2.gz IFULTHBJBKOHFB-UHFFFAOYSA-N 0 0 143.573 1.871 10 0 ADAERN CC1(N2C(=O)C=CC2=O)CCCC1 82785601 573193150 /nfs/dbraw/zinc/19/31/50/573193150.db2.gz 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/nfs/dbraw/zinc/19/32/18/573193218.db2.gz ZRGRLJLKMKAYFX-UHFFFAOYSA-N 0 0 127.212 1.878 10 0 ADAERN O=C1CCC(=O)n2cccc21 142194131 573193222 /nfs/dbraw/zinc/19/32/22/573193222.db2.gz KWHPMXOIEWVYPR-UHFFFAOYSA-N 0 0 149.149 1.105 10 0 ADAERN CCON(C)C(=O)/C=C/C1CCC1 308300974 573193224 /nfs/dbraw/zinc/19/32/24/573193224.db2.gz KMGPFAMIOHEIST-BQYQJAHWSA-N 0 0 183.251 1.753 10 0 ADAERN C[C@@]1(OC(=O)CC2CC2)CCOC1 308301158 573193230 /nfs/dbraw/zinc/19/32/30/573193230.db2.gz MAFLOPSPCHJWGY-SNVBAGLBSA-N 0 0 184.235 1.509 10 0 ADAERN COC(=O)N/C=C/C(C)C 104693642 573193983 /nfs/dbraw/zinc/19/39/83/573193983.db2.gz KSQXZYAERVAOSC-SNAWJCMRSA-N 0 0 143.186 1.512 10 0 ADAERN CC[C@@H]1CC(=O)CCN1C(=O)N(C)C 238300781 573193260 /nfs/dbraw/zinc/19/32/60/573193260.db2.gz LFUOWIMFCZACOB-MRVPVSSYSA-N 0 0 198.266 1.112 10 0 ADAERN Cc1ncc2c(c1O)[C@@H](N(C)C)OC2 238300773 573193296 /nfs/dbraw/zinc/19/32/96/573193296.db2.gz XSKBJVBUEYJYQT-JTQLQIEISA-N 0 0 194.234 1.186 10 0 ADAERN C[C@H]1CC(=N)NN=C1c1ccncc1 82787084 573193315 /nfs/dbraw/zinc/19/33/15/573193315.db2.gz LOSIDIWYANGREC-ZETCQYMHSA-N 0 0 188.234 1.183 10 0 ADAERN S=C1C[C@@H]2CCC[C@@H]2N1 104694810 573193317 /nfs/dbraw/zinc/19/33/17/573193317.db2.gz IEWXZGFDTRUSGE-WDSKDSINSA-N 0 0 141.239 1.476 10 0 ADAERN CC[C@@H]1CC(=O)CCS1 238300846 573193318 /nfs/dbraw/zinc/19/33/18/573193318.db2.gz UUGMVJXGWHBGEE-SSDOTTSWSA-N 0 0 144.239 1.861 10 0 ADAERN CCC[C@@H](C)OC(=O)CC[C@@H](C)O 308302137 573193320 /nfs/dbraw/zinc/19/33/20/573193320.db2.gz MLRKKXKQPLQVBJ-RKDXNWHRSA-N 0 0 188.267 1.879 10 0 ADAERN CCOc1ccncc1[C@H](O)C1CC1 308516559 573193335 /nfs/dbraw/zinc/19/33/35/573193335.db2.gz VHYCXDLQDIDHRQ-LLVKDONJSA-N 0 0 193.246 1.924 10 0 ADAERN C[C@H]1CC(=N)NN=C1c1cccnc1 82787002 573193361 /nfs/dbraw/zinc/19/33/61/573193361.db2.gz KDPAJNRNHGQFOR-ZETCQYMHSA-N 0 0 188.234 1.183 10 0 ADAERN CC[C@@]([NH3+])(C(=O)[O-])C1=CC[C@H](C)CC1 238302246 573193376 /nfs/dbraw/zinc/19/33/76/573193376.db2.gz OFCAJXOZBUZDEQ-KWQFWETISA-N 0 0 197.278 1.925 10 0 ADAERN S=C1N[C@H]2CCC[C@H]12 104694964 573193388 /nfs/dbraw/zinc/19/33/88/573193388.db2.gz IZRYYIYJMLSEMQ-WHFBIAKZSA-N 0 0 127.212 1.086 10 0 ADAERN OC[C@]1(c2ccccc2Cl)CCO1 258572660 573193389 /nfs/dbraw/zinc/19/33/89/573193389.db2.gz QBWGPGSTPABRGJ-JTQLQIEISA-N 0 0 198.649 1.948 10 0 ADAERN CC[C@H](C)CON=c1cccn[nH]1 308301198 573193401 /nfs/dbraw/zinc/19/34/01/573193401.db2.gz MCCFXIYBOHLNIK-QMMMGPOBSA-N 0 0 181.239 1.866 10 0 ADAERN CCOC(=S)SCC(N)=S 238302385 573193410 /nfs/dbraw/zinc/19/34/10/573193410.db2.gz XKQDCHKKIMDNLO-UHFFFAOYSA-N 0 0 195.334 1.327 10 0 ADAERN CCC[C@H]1NC(=O)C[C@@H]1C 104693771 573193418 /nfs/dbraw/zinc/19/34/18/573193418.db2.gz UTAKDGFSWJJJSH-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN CC/C(=C\C[NH2+][C@H]1CC12CC2)C(=O)[O-] 715607635 573193420 /nfs/dbraw/zinc/19/34/20/573193420.db2.gz CGPCGVRNWWFJFZ-IPQKIJNHSA-N 0 0 195.262 1.550 10 0 ADAERN C[C@H]1CC(c2ccccn2)=NNC1=N 82787201 573193466 /nfs/dbraw/zinc/19/34/66/573193466.db2.gz YIMYDQDCGDQCTN-ZETCQYMHSA-N 0 0 188.234 1.183 10 0 ADAERN CC[C@@](CO)(C(C)C)[C@@H](C)O 238301525 573193507 /nfs/dbraw/zinc/19/35/07/573193507.db2.gz KYOVPNBZGOGELI-RKDXNWHRSA-N 0 0 160.257 1.412 10 0 ADAERN CC(C)NC(=O)c1c(N)cccc1F 115492059 573193517 /nfs/dbraw/zinc/19/35/17/573193517.db2.gz ODELUOCSAXHGDN-UHFFFAOYSA-N 0 0 196.225 1.546 10 0 ADAERN CCOC(=S)Cc1c[nH]cn1 238301514 573193518 /nfs/dbraw/zinc/19/35/18/573193518.db2.gz DXAOEEPKNVILOV-UHFFFAOYSA-N 0 0 170.237 1.316 10 0 ADAERN S=C1C[C@H]2CCC[C@H]2N1 104694799 573193527 /nfs/dbraw/zinc/19/35/27/573193527.db2.gz IEWXZGFDTRUSGE-PHDIDXHHSA-N 0 0 141.239 1.476 10 0 ADAERN CCc1c(N)ccc(C(=O)OC)c1F 238301435 573193995 /nfs/dbraw/zinc/19/39/95/573193995.db2.gz NZMUFZMHYJSORI-UHFFFAOYSA-N 0 0 197.209 1.757 10 0 ADAERN Cc1[nH]nc2nc(Cl)c(N)cc12 257963704 573193534 /nfs/dbraw/zinc/19/35/34/573193534.db2.gz XPSJHPKKWYOPCS-UHFFFAOYSA-N 0 0 182.614 1.502 10 0 ADAERN C[C@H]1CC(c2ccccc2)=NNC1=N 82787299 573193550 /nfs/dbraw/zinc/19/35/50/573193550.db2.gz 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/nfs/dbraw/zinc/19/51/85/573195185.db2.gz DVKQHZFBZWIEGT-CBAPKCEASA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H]1CC(c2ccccc2)=NNC1=N 82787297 573195191 /nfs/dbraw/zinc/19/51/91/573195191.db2.gz AOBUXGROWAPVKD-MRVPVSSYSA-N 0 0 187.246 1.788 10 0 ADAERN CC[C@@H](C)N(C(=O)[C@H](C)O)C1CC1 308302113 573195205 /nfs/dbraw/zinc/19/52/05/573195205.db2.gz MKJGPCKLFCYKEF-SFYZADRCSA-N 0 0 185.267 1.157 10 0 ADAERN Nc1ccc2c(c1)[C@H](CO)CCO2 257967816 573196771 /nfs/dbraw/zinc/19/67/71/573196771.db2.gz YDWYGUPEXGIXJF-ZETCQYMHSA-N 0 0 179.219 1.127 10 0 ADAERN CC[C@H](C)C(=O)N(C)[C@H](C)COC 308304260 573196772 /nfs/dbraw/zinc/19/67/72/573196772.db2.gz NOBQUDIZLXEATJ-DTWKUNHWSA-N 0 0 187.283 1.526 10 0 ADAERN CCOCCSc1cc(C)ncn1 308305538 573196803 /nfs/dbraw/zinc/19/68/03/573196803.db2.gz NMZYGMSLZAWGDR-UHFFFAOYSA-N 0 0 198.291 1.914 10 0 ADAERN CC(C)(C)[C@@H]1C[C@](C)(O)CCO1 642870953 573196804 /nfs/dbraw/zinc/19/68/04/573196804.db2.gz LWHNIECHLITLHO-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C)NC(=O)NO[C@H](C)CC 308305350 573196821 /nfs/dbraw/zinc/19/68/21/573196821.db2.gz OCOJPHVUPTVXGR-JGVFFNPUSA-N 0 0 188.271 1.814 10 0 ADAERN NC(=O)c1cc2ccsc2cn1 115504739 573196250 /nfs/dbraw/zinc/19/62/50/573196250.db2.gz CZXIPBIBWCODNX-UHFFFAOYSA-N 0 0 178.216 1.395 10 0 ADAERN CCOC[C@@H](C)[NH2+]CC1(F)CCC1 308304461 573196259 /nfs/dbraw/zinc/19/62/59/573196259.db2.gz MUYHBCVYDARLRN-SECBINFHSA-N 0 0 189.274 1.893 10 0 ADAERN CCc1c2c(nn1C(N)=O)CCCC2 238302860 573196286 /nfs/dbraw/zinc/19/62/86/573196286.db2.gz KABSLIFTIACCQX-UHFFFAOYSA-N 0 0 193.250 1.251 10 0 ADAERN CC[C@@]1(CO)CC=C(CO)CC1 238310103 573196335 /nfs/dbraw/zinc/19/63/35/573196335.db2.gz DJXNRDYAXDLGOP-SNVBAGLBSA-N 0 0 170.252 1.478 10 0 ADAERN CCOCCNC(=O)C[C@@H]1C[C@@H]1C 308306334 573196348 /nfs/dbraw/zinc/19/63/48/573196348.db2.gz OEDIZHPBDPLLQR-IUCAKERBSA-N 0 0 185.267 1.185 10 0 ADAERN Cc1cc(CO)c(N)cc1N(C)C 238309775 573196358 /nfs/dbraw/zinc/19/63/58/573196358.db2.gz XGHZTDWHXQHFME-UHFFFAOYSA-N 0 0 180.251 1.136 10 0 ADAERN CC[C@@H](C)C(=O)N(C)[C@H](C)COC 308304262 573196390 /nfs/dbraw/zinc/19/63/90/573196390.db2.gz NOBQUDIZLXEATJ-RKDXNWHRSA-N 0 0 187.283 1.526 10 0 ADAERN Cn1cc(CO)c2cccc(O)c21 257966210 573196437 /nfs/dbraw/zinc/19/64/37/573196437.db2.gz ZECRWIDGNSHCPI-UHFFFAOYSA-N 0 0 177.203 1.376 10 0 ADAERN Cc1c(CCO)cc2c(c1C)OCO2 257967050 573196457 /nfs/dbraw/zinc/19/64/57/573196457.db2.gz CKUATSLCMOZCFD-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN CC[C@H](C(C)=O)[C@H](O)C(C)C 224850852 573196469 /nfs/dbraw/zinc/19/64/69/573196469.db2.gz TVXPWOKYRHWWFG-RKDXNWHRSA-N 0 0 158.241 1.619 10 0 ADAERN O=Cc1cc(F)ccc1C1(O)CC1 257966011 573196479 /nfs/dbraw/zinc/19/64/79/573196479.db2.gz HNFUOLLCXUBGCH-UHFFFAOYSA-N 0 0 180.178 1.620 10 0 ADAERN CC[C@H](C(C)=O)[C@@H](O)C(C)C 224850932 573196489 /nfs/dbraw/zinc/19/64/89/573196489.db2.gz TVXPWOKYRHWWFG-BDAKNGLRSA-N 0 0 158.241 1.619 10 0 ADAERN CCOc1ccc(CNOC)nc1 308304872 573196525 /nfs/dbraw/zinc/19/65/25/573196525.db2.gz NDAPBVXQLFPJHF-UHFFFAOYSA-N 0 0 182.223 1.131 10 0 ADAERN O=C1[C@@H]2C[C@@H]2[C@@H]2Cc3ccccc3N12 257959340 573196530 /nfs/dbraw/zinc/19/65/30/573196530.db2.gz XGJCEYNAZSWOGM-NGZCFLSTSA-N 0 0 185.226 1.594 10 0 ADAERN C[C@H]1C[C@@H](C)NC1=S 104694832 573196533 /nfs/dbraw/zinc/19/65/33/573196533.db2.gz SZHLSGUQQCNZLZ-CRCLSJGQSA-N 0 0 129.228 1.332 10 0 ADAERN Cc1cc2c(c([C@H](C)O)c1)OCO2 257966015 573196547 /nfs/dbraw/zinc/19/65/47/573196547.db2.gz HNJHPKIGOQNXTM-ZETCQYMHSA-N 0 0 180.203 1.777 10 0 ADAERN CCOCCNC(=O)C[C@H]1C[C@@H]1C 308306333 573196555 /nfs/dbraw/zinc/19/65/55/573196555.db2.gz OEDIZHPBDPLLQR-DTWKUNHWSA-N 0 0 185.267 1.185 10 0 ADAERN Cc1ccc2c(n1)N(C)CC[C@@H]2O 238310059 573196572 /nfs/dbraw/zinc/19/65/72/573196572.db2.gz ZDATXDGUVCFMRP-VIFPVBQESA-N 0 0 178.235 1.263 10 0 ADAERN CCO[C@@H](C)OCC/C(C)=C\CO 225790382 573196582 /nfs/dbraw/zinc/19/65/82/573196582.db2.gz HAEHRTVUAGKRSB-HYHWUIIZSA-N 0 0 188.267 1.714 10 0 ADAERN Cc1coc(CN2CCCCC2)n1 257966294 573196584 /nfs/dbraw/zinc/19/65/84/573196584.db2.gz ZGKXHAUKWYXBAC-UHFFFAOYSA-N 0 0 180.251 1.969 10 0 ADAERN O=C1CCC2=C(Cc3ccccc32)N1 115505664 573196588 /nfs/dbraw/zinc/19/65/88/573196588.db2.gz HONDCIFZVSMIJQ-UHFFFAOYSA-N 0 0 185.226 1.864 10 0 ADAERN OCCc1cc(F)cc2c1OCOC2 257967063 573196604 /nfs/dbraw/zinc/19/66/04/573196604.db2.gz CLKFFBDTMMCBMH-UHFFFAOYSA-N 0 0 198.193 1.227 10 0 ADAERN CCC(=O)O[C@H](C)c1cc(C)on1 308304906 573196612 /nfs/dbraw/zinc/19/66/12/573196612.db2.gz NWLPQKDAOZIAMS-SSDOTTSWSA-N 0 0 183.207 1.997 10 0 ADAERN C[C@@H](O)c1cc(O)cc2c1OCO2 257967075 573196818 /nfs/dbraw/zinc/19/68/18/573196818.db2.gz CLOXNMUXQZYNJO-RXMQYKEDSA-N 0 0 182.175 1.174 10 0 ADAERN CC1(C)CCn2cncc2C1=O 115416649 573196627 /nfs/dbraw/zinc/19/66/27/573196627.db2.gz OLVVARJSKKFHNE-UHFFFAOYSA-N 0 0 164.208 1.496 10 0 ADAERN CC[C@]1(CO)CCCC(=O)C1 238310124 573196639 /nfs/dbraw/zinc/19/66/39/573196639.db2.gz WPQDYVDUVCOOKK-VIFPVBQESA-N 0 0 156.225 1.518 10 0 ADAERN C[C@H](O)c1cccc2c1CCO2 257965872 573196676 /nfs/dbraw/zinc/19/66/76/573196676.db2.gz TVIHELCPAFIPET-ZETCQYMHSA-N 0 0 164.204 1.675 10 0 ADAERN Nc1cnoc1[C@@H]1CCCCO1 258580325 573196685 /nfs/dbraw/zinc/19/66/85/573196685.db2.gz SIHQRFBNCNSAOL-ZETCQYMHSA-N 0 0 168.196 1.498 10 0 ADAERN CNC(=O)Oc1cncc(Cl)c1 238302573 573196694 /nfs/dbraw/zinc/19/66/94/573196694.db2.gz HIMBIXIWZYOMCL-UHFFFAOYSA-N 0 0 186.598 1.453 10 0 ADAERN CCOC(=N)CCSC 225792996 573196707 /nfs/dbraw/zinc/19/67/07/573196707.db2.gz CIFYXOMFJBNEMJ-UHFFFAOYSA-N 0 0 147.243 1.753 10 0 ADAERN CCc1c(O)ccc(C(=O)OC)c1O 238302771 573196826 /nfs/dbraw/zinc/19/68/26/573196826.db2.gz FZOWLOFYITVNMK-UHFFFAOYSA-N 0 0 196.202 1.447 10 0 ADAERN CN(C)C(=O)[C@@H]1CC(C)(C)[C@]1(C)CO 238310303 573196841 /nfs/dbraw/zinc/19/68/41/573196841.db2.gz PFBHPBYCKXXFCN-GZMMTYOYSA-N 0 0 199.294 1.119 10 0 ADAERN C=Cc1csc(NC(C)=O)n1 222876522 573196843 /nfs/dbraw/zinc/19/68/43/573196843.db2.gz INMOUJBFODGRFQ-UHFFFAOYSA-N 0 0 168.221 1.745 10 0 ADAERN CC(C)N1c2ccccc2C[C@H]1CO 257967824 573196855 /nfs/dbraw/zinc/19/68/55/573196855.db2.gz UBQQBRBZCZWNIN-NSHDSACASA-N 0 0 191.274 1.818 10 0 ADAERN CC(=O)C[C@H](C)n1ccc(C)n1 82792980 573196856 /nfs/dbraw/zinc/19/68/56/573196856.db2.gz ORRCAGBJVUTRNM-QMMMGPOBSA-N 0 0 166.224 1.732 10 0 ADAERN CCON(C)C(=O)CC[C@@H](C)OC 308304118 573196868 /nfs/dbraw/zinc/19/68/68/573196868.db2.gz MOBIRUSCFIYCDZ-MRVPVSSYSA-N 0 0 189.255 1.211 10 0 ADAERN O[C@@H]1CCC2(CCOCC2)C1 257966035 573196878 /nfs/dbraw/zinc/19/68/78/573196878.db2.gz HOPHGDFEQDNYHM-MRVPVSSYSA-N 0 0 156.225 1.328 10 0 ADAERN CCc1nc2cc(C)ccc2c(=O)[nH]1 238310318 573196886 /nfs/dbraw/zinc/19/68/86/573196886.db2.gz DSQJCORLKOYGFS-UHFFFAOYSA-N 0 0 188.230 1.794 10 0 ADAERN C[C@@H]1OCC[C@@H]1COC(=O)C(F)F 308305377 573196924 /nfs/dbraw/zinc/19/69/24/573196924.db2.gz ODKLDWARPXTUMX-NTSWFWBYSA-N 0 0 194.177 1.220 10 0 ADAERN Cc1cnc(COC(C)C)n1C 257966062 573196931 /nfs/dbraw/zinc/19/69/31/573196931.db2.gz YZYNSZGDXAIXLM-UHFFFAOYSA-N 0 0 168.240 1.654 10 0 ADAERN C[NH+](C)[C@H]1CCCC[C@H](CC(=O)[O-])C1 107301918 573196932 /nfs/dbraw/zinc/19/69/32/573196932.db2.gz RKAADJIWUJMEHA-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)C[C@@H](C)n1ccc(C)n1 82792981 573196945 /nfs/dbraw/zinc/19/69/45/573196945.db2.gz ORRCAGBJVUTRNM-MRVPVSSYSA-N 0 0 166.224 1.732 10 0 ADAERN C/C=C(\C)C(=O)OC1CCOCC1 308304627 573196968 /nfs/dbraw/zinc/19/69/68/573196968.db2.gz NRDMBEOHHUKWDS-FPYGCLRLSA-N 0 0 184.235 1.675 10 0 ADAERN CCn1sc(=O)c2cc(N)ccc21 238310507 573196976 /nfs/dbraw/zinc/19/69/76/573196976.db2.gz WEOWKIQFNWVBDE-UHFFFAOYSA-N 0 0 194.259 1.665 10 0 ADAERN C/C=C/C(=O)NCCOC(C)(C)C 308304903 573196977 /nfs/dbraw/zinc/19/69/77/573196977.db2.gz NWJKBGUBGPGHGT-AATRIKPKSA-N 0 0 185.267 1.494 10 0 ADAERN CCn1oc(C)c(C)c1=O 238310468 573196984 /nfs/dbraw/zinc/19/69/84/573196984.db2.gz NQTDNIKPQYXTQN-UHFFFAOYSA-N 0 0 141.170 1.078 10 0 ADAERN O=C1CC[C@@H]2c3ccccc3C[C@@H]2N1 115506008 573196990 /nfs/dbraw/zinc/19/69/90/573196990.db2.gz JNSDPHBOQXVNJG-MNOVXSKESA-N 0 0 187.242 1.605 10 0 ADAERN NOCCc1ccc(C2CC2)cc1 257966010 573196995 /nfs/dbraw/zinc/19/69/95/573196995.db2.gz HNFNYZCLXSWUJP-UHFFFAOYSA-N 0 0 177.247 1.997 10 0 ADAERN CCO[C@H](C)CC(C)=O 82793036 573197004 /nfs/dbraw/zinc/19/70/04/573197004.db2.gz BMHLYNKQNZQHKZ-SSDOTTSWSA-N 0 0 130.187 1.391 10 0 ADAERN COc1c([C@@H](C)CO)ccc(C)c1O 257967112 573197027 /nfs/dbraw/zinc/19/70/27/573197027.db2.gz CNBSFXSQDLMBFA-QMMMGPOBSA-N 0 0 196.246 1.805 10 0 ADAERN Cc1cc(Cl)c(N)cc1CO 257966410 573197042 /nfs/dbraw/zinc/19/70/42/573197042.db2.gz XZHIJHJNHXAZAU-UHFFFAOYSA-N 0 0 171.627 1.723 10 0 ADAERN C[C@H]1OCC[C@@H]1COC(=O)C(F)F 308305379 573197669 /nfs/dbraw/zinc/19/76/69/573197669.db2.gz ODKLDWARPXTUMX-PHDIDXHHSA-N 0 0 194.177 1.220 10 0 ADAERN CC[C@H](C)ONC(=O)NCC1CC1 308305757 573197093 /nfs/dbraw/zinc/19/70/93/573197093.db2.gz OGWANWLFQGRFHB-ZETCQYMHSA-N 0 0 186.255 1.426 10 0 ADAERN CCOc1nc[nH]c1CC 104694711 573197112 /nfs/dbraw/zinc/19/71/12/573197112.db2.gz LFPHXUMTXGNAAC-UHFFFAOYSA-N 0 0 140.186 1.371 10 0 ADAERN CCON(C)C(=O)[C@H](C)CCOC 308305653 573197135 /nfs/dbraw/zinc/19/71/35/573197135.db2.gz NRYHWBRLBULKQQ-MRVPVSSYSA-N 0 0 189.255 1.069 10 0 ADAERN CNOCc1cccc(Cl)c1 257959308 573197137 /nfs/dbraw/zinc/19/71/37/573197137.db2.gz XGEJTBDXGZTNLD-UHFFFAOYSA-N 0 0 171.627 1.991 10 0 ADAERN CCOCC1CCN(C(C)=O)CC1 308305685 573197143 /nfs/dbraw/zinc/19/71/43/573197143.db2.gz NSPZBJPKPBGUSO-UHFFFAOYSA-N 0 0 185.267 1.281 10 0 ADAERN Nc1ccc2c(c1)[C@@H](CO)CCC2 257966602 573197145 /nfs/dbraw/zinc/19/71/45/573197145.db2.gz YCVLLFMRGATZER-SECBINFHSA-N 0 0 177.247 1.681 10 0 ADAERN Nc1cnoc1[C@H]1CCCCO1 258580299 573197158 /nfs/dbraw/zinc/19/71/58/573197158.db2.gz SIHQRFBNCNSAOL-SSDOTTSWSA-N 0 0 168.196 1.498 10 0 ADAERN CCn1nc(N)c2c1CCSC2 257959397 573197163 /nfs/dbraw/zinc/19/71/63/573197163.db2.gz XHDZUBRGWVFWST-UHFFFAOYSA-N 0 0 183.280 1.275 10 0 ADAERN CN(C)c1cc(O)c(N(C)C)cc1O 238310006 573197177 /nfs/dbraw/zinc/19/71/77/573197177.db2.gz ROQJVAAZNWVCQT-UHFFFAOYSA-N 0 0 196.250 1.230 10 0 ADAERN CCC(=O)OCCc1cccnc1 308305388 573197180 /nfs/dbraw/zinc/19/71/80/573197180.db2.gz ODUKJWZGYGVZHC-UHFFFAOYSA-N 0 0 179.219 1.577 10 0 ADAERN CC(=O)C[C@@H](C)N1CCC(=O)CC1 82792258 573197185 /nfs/dbraw/zinc/19/71/85/573197185.db2.gz DMUJSNBFJKHJCD-MRVPVSSYSA-N 0 0 183.251 1.019 10 0 ADAERN COCc1cc(F)c(C=O)cc1F 257965994 573197188 /nfs/dbraw/zinc/19/71/88/573197188.db2.gz HMWVKPKCGLJUQI-UHFFFAOYSA-N 0 0 186.157 1.924 10 0 ADAERN CC[C@@H](C(C)=O)[C@@H](O)C(C)C 224850969 573197190 /nfs/dbraw/zinc/19/71/90/573197190.db2.gz TVXPWOKYRHWWFG-IUCAKERBSA-N 0 0 158.241 1.619 10 0 ADAERN CCOCCNc1cc(F)ccn1 308305847 573197206 /nfs/dbraw/zinc/19/72/06/573197206.db2.gz NXYIIAODRMTZAX-UHFFFAOYSA-N 0 0 184.214 1.669 10 0 ADAERN COc1c(CNO)ccc2c1CCC2 257967043 573197218 /nfs/dbraw/zinc/19/72/18/573197218.db2.gz CKOADNAODIIJON-UHFFFAOYSA-N 0 0 193.246 1.663 10 0 ADAERN CC(=O)C[C@H](C)Sc1n[nH]c(C)n1 82794313 573197242 /nfs/dbraw/zinc/19/72/42/573197242.db2.gz YHPZBIQWCGSYIY-LURJTMIESA-N 0 0 199.279 1.573 10 0 ADAERN CC[N@H+](CCC(C)=O)C[C@H](C)OC 308306407 573197246 /nfs/dbraw/zinc/19/72/46/573197246.db2.gz ORHBLWUSDHXPLI-JTQLQIEISA-N 0 0 187.283 1.322 10 0 ADAERN COc1nc(F)ccc1F 115455344 573197251 /nfs/dbraw/zinc/19/72/51/573197251.db2.gz PDETXUKXCGKHKX-UHFFFAOYSA-N 0 0 145.108 1.368 10 0 ADAERN CC(C)(O)c1cccc(C2(O)CC2)c1 259364707 573197261 /nfs/dbraw/zinc/19/72/61/573197261.db2.gz HANNQQQDHCWBTM-UHFFFAOYSA-N 0 0 192.258 1.895 10 0 ADAERN CCc1cc(CNO)ccc1OC 257965995 573197281 /nfs/dbraw/zinc/19/72/81/573197281.db2.gz HMXHWDCAZRPPPT-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN C[C@H](O)Cc1cccc(CCCO)c1 259364695 573197642 /nfs/dbraw/zinc/19/76/42/573197642.db2.gz GZXFXQRHNFAQGH-JTQLQIEISA-N 0 0 194.274 1.535 10 0 ADAERN C/C=C\C(=O)N(C)Cc1ccc[nH]1 308304986 573197337 /nfs/dbraw/zinc/19/73/37/573197337.db2.gz OAAYODCQWLFCQI-HYXAFXHYSA-N 0 0 178.235 1.549 10 0 ADAERN CCc1cc(OC)c2cncn2c1 238310388 573197358 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573197483 /nfs/dbraw/zinc/19/74/83/573197483.db2.gz VGAMBDCHODKONN-ZCFIWIBFSA-N 0 0 181.239 1.435 10 0 ADAERN CCn1cc(CO)c2cc(N)ccc21 257967383 573197491 /nfs/dbraw/zinc/19/74/91/573197491.db2.gz IKHVAKTTWGIHCL-UHFFFAOYSA-N 0 0 190.246 1.736 10 0 ADAERN CC(=O)C[C@H](C)n1ccnc1 82792852 573197519 /nfs/dbraw/zinc/19/75/19/573197519.db2.gz DGGQQBLELNJDQQ-ZETCQYMHSA-N 0 0 152.197 1.423 10 0 ADAERN CC(C)(C)[C@H]1C[C@@](C)(O)CCO1 642870952 573197525 /nfs/dbraw/zinc/19/75/25/573197525.db2.gz LWHNIECHLITLHO-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN Cn1nc(N)c2c1CCC(F)(F)C2 257967868 573197535 /nfs/dbraw/zinc/19/75/35/573197535.db2.gz YFTUVMOMCXFPQI-UHFFFAOYSA-N 0 0 187.193 1.126 10 0 ADAERN Nc1cc(C[C@@H]2CCCSC2)[nH]n1 259366222 573197571 /nfs/dbraw/zinc/19/75/71/573197571.db2.gz VCSMUNAJOLJKMJ-ZETCQYMHSA-N 0 0 197.307 1.678 10 0 ADAERN CCCc1nc2cccc(C=O)n2n1 257967192 573197602 /nfs/dbraw/zinc/19/76/02/573197602.db2.gz NOSFALYAVYFFFR-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN CNC(=O)Oc1cnc(C)s1 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/nfs/dbraw/zinc/20/11/29/573201129.db2.gz HWBMUPHFIVEHEV-UHFFFAOYSA-N 0 0 195.218 1.452 10 0 ADAERN OC[C@]1(c2cccc(Cl)c2)CCO1 258584617 573201141 /nfs/dbraw/zinc/20/11/41/573201141.db2.gz RDZFIYGRHJYUMW-JTQLQIEISA-N 0 0 198.649 1.948 10 0 ADAERN CC(C)(O)c1cccc2c1CC(=O)N2 257968993 573201145 /nfs/dbraw/zinc/20/11/45/573201145.db2.gz CPQXDJVFLORGBI-UHFFFAOYSA-N 0 0 191.230 1.409 10 0 ADAERN CC[NH2+]CC(C)(C)CC(=O)[O-] 258584315 573201161 /nfs/dbraw/zinc/20/11/61/573201161.db2.gz FNXOVLBNGNRMJN-UHFFFAOYSA-N 0 0 159.229 1.097 10 0 ADAERN C[NH+](C)[C@@H](C(C)(C)C)C1(C(=O)[O-])CC1 259369983 573201171 /nfs/dbraw/zinc/20/11/71/573201171.db2.gz GDFXRLGUJRVQFM-QMMMGPOBSA-N 0 0 199.294 1.828 10 0 ADAERN CC(=O)C1(c2cccc(C)c2)COC1 258485067 573201185 /nfs/dbraw/zinc/20/11/85/573201185.db2.gz CGRXUUKZUSBVFQ-UHFFFAOYSA-N 0 0 190.242 1.852 10 0 ADAERN CC(=O)c1coc([C@H]2CCCN2C)n1 257969587 573201191 /nfs/dbraw/zinc/20/11/91/573201191.db2.gz GYFUHWWKQMPISB-SECBINFHSA-N 0 0 194.234 1.644 10 0 ADAERN 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/nfs/dbraw/zinc/20/44/65/573204465.db2.gz PEWMDYVENVRCFA-PHDIDXHHSA-N 0 0 194.177 1.362 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1cn(C)nn1 714647651 573204482 /nfs/dbraw/zinc/20/44/82/573204482.db2.gz UJDSIRQOEGDDLC-CBAPKCEASA-N 0 0 180.255 1.273 10 0 ADAERN C[C@@]1(C2CCOCC2)CCC(=O)N1 257969342 573204485 /nfs/dbraw/zinc/20/44/85/573204485.db2.gz YKMMWJNGEFIFAJ-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN CC(=O)C[C@@H](C)C(=O)C1CC1 82805546 573204487 /nfs/dbraw/zinc/20/44/87/573204487.db2.gz ZSFVWUZCAXNYKS-ZCFIWIBFSA-N 0 0 154.209 1.581 10 0 ADAERN Nc1cc2c3c(c1)oc(=O)n3CCC2 257968326 573204503 /nfs/dbraw/zinc/20/45/03/573204503.db2.gz HZCWBJAYZLZBBE-UHFFFAOYSA-N 0 0 190.202 1.123 10 0 ADAERN CC[C@]1(NC(C)=O)CCCC[C@@H]1CO 238310727 573204505 /nfs/dbraw/zinc/20/45/05/573204505.db2.gz WCMIBYBGSVJAFE-MNOVXSKESA-N 0 0 199.294 1.454 10 0 ADAERN CCSC(=O)c1ncsc1N 257969470 573204521 /nfs/dbraw/zinc/20/45/21/573204521.db2.gz VOGZQICVJDIPQL-UHFFFAOYSA-N 0 0 188.277 1.619 10 0 ADAERN CCO[P@]1(=O)C=C(C)[C@H](O)C1 238310680 573204528 /nfs/dbraw/zinc/20/45/28/573204528.db2.gz UILSRYKEFQAKRD-RDDDGLTNSA-N 0 0 176.152 1.579 10 0 ADAERN Cc1nc(CNC2(C)CCC2)no1 235955367 573204535 /nfs/dbraw/zinc/20/45/35/573204535.db2.gz WKBQVYZRXKCXCI-UHFFFAOYSA-N 0 0 181.239 1.410 10 0 ADAERN Cc1noc(C[C@H]2CCCCC2=O)n1 235959350 573207183 /nfs/dbraw/zinc/20/71/83/573207183.db2.gz SXIDSDUZVLMYMS-MRVPVSSYSA-N 0 0 194.234 1.680 10 0 ADAERN COC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1C 308310071 573207816 /nfs/dbraw/zinc/20/78/16/573207816.db2.gz QUWSGNSMUJJQQG-HRDYMLBCSA-N 0 0 185.267 1.136 10 0 ADAERN C[C@H](O)C1(Cc2ccn(C)n2)CC1 235530265 573206069 /nfs/dbraw/zinc/20/60/69/573206069.db2.gz MDBLIMCZNJVMPR-QMMMGPOBSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1cn(C)nn1 714647653 573206080 /nfs/dbraw/zinc/20/60/80/573206080.db2.gz UJDSIRQOEGDDLC-VXNVDRBHSA-N 0 0 180.255 1.273 10 0 ADAERN CC[C@H](O)[C@@](C)(O)c1ccncc1 238312387 573207818 /nfs/dbraw/zinc/20/78/18/573207818.db2.gz 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257970456 573206111 /nfs/dbraw/zinc/20/61/11/573206111.db2.gz YOGJEYYDNCCBNG-LURJTMIESA-N 0 0 182.223 1.004 10 0 ADAERN Cc1nc(-c2ccnn2C)ccc1N 235958867 573206115 /nfs/dbraw/zinc/20/61/15/573206115.db2.gz FNXDYOMLARDHJK-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cc(C)c(OC[C@H](C)O)cc1N 235529218 573206250 /nfs/dbraw/zinc/20/62/50/573206250.db2.gz OKJNRKPBHLRJHP-VIFPVBQESA-N 0 0 195.262 1.645 10 0 ADAERN CC[C@H]([NH3+])c1cc(F)cc(C(=O)[O-])c1 238312699 573206134 /nfs/dbraw/zinc/20/61/34/573206134.db2.gz MQIWPNKCGNNCIQ-VIFPVBQESA-N 0 0 197.209 1.934 10 0 ADAERN CC/C=C\C(=O)N[C@H](C)COCC 308310465 573206142 /nfs/dbraw/zinc/20/61/42/573206142.db2.gz RAQWMZSBZMRUIL-ATJFRQLMSA-N 0 0 185.267 1.494 10 0 ADAERN CNC1=CCc2ccc(OC)cc21 238313021 573206145 /nfs/dbraw/zinc/20/61/45/573206145.db2.gz GEJVRCDUPLXEIZ-UHFFFAOYSA-N 0 0 175.231 1.812 10 0 ADAERN CC[S@@](=O)[C@H](C)CC(C)=O 82800349 573206146 /nfs/dbraw/zinc/20/61/46/573206146.db2.gz BNBGCJDGIGHXRW-XCBNKYQSSA-N 0 0 162.254 1.123 10 0 ADAERN 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/nfs/dbraw/zinc/20/62/22/573206222.db2.gz HGWADQBYMWWXPQ-UHFFFAOYSA-N 0 0 180.203 1.912 10 0 ADAERN CC[C@H]1CNC(=O)C[C@@H](C)C1 238312372 573206229 /nfs/dbraw/zinc/20/62/29/573206229.db2.gz WXMGBAYSPUGCLC-JGVFFNPUSA-N 0 0 155.241 1.559 10 0 ADAERN CC(=O)C[C@H](C)c1ccnn1C 82807032 573206232 /nfs/dbraw/zinc/20/62/32/573206232.db2.gz JKEPDNLFENCDTJ-ZETCQYMHSA-N 0 0 166.224 1.503 10 0 ADAERN C[NH2+][C@H](C)c1csc(C(=O)[O-])c1 257965367 573206234 /nfs/dbraw/zinc/20/62/34/573206234.db2.gz XVGNOPZUQURJDH-RXMQYKEDSA-N 0 0 185.248 1.727 10 0 ADAERN C[NH2+][C@H](C)c1cc(C(=O)[O-])n(C)c1 257963985 573206239 /nfs/dbraw/zinc/20/62/39/573206239.db2.gz XTZUGKHPATXTKJ-ZCFIWIBFSA-N 0 0 182.223 1.004 10 0 ADAERN CCc1cc2c(cc1O)OCCC2=O 238312357 573206261 /nfs/dbraw/zinc/20/62/61/573206261.db2.gz NIYJFKSUTNJDNR-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN O=C1NCC[C@@H]1CC[C@@H]1C[C@@H]1C1CC1 714853499 573206268 /nfs/dbraw/zinc/20/62/68/573206268.db2.gz ATAOTJYNSJIQJB-HBNTYKKESA-N 0 0 193.290 1.949 10 0 ADAERN Cc1c[nH]c(COC(C)C)n1 257964740 573206291 /nfs/dbraw/zinc/20/62/91/573206291.db2.gz YXFLPSCTTNKEBH-UHFFFAOYSA-N 0 0 154.213 1.643 10 0 ADAERN Cc1cncc(C(=O)[C@H](O)C2CC2)c1 235932825 573206319 /nfs/dbraw/zinc/20/63/19/573206319.db2.gz KUNWZJNTUSNRPB-SNVBAGLBSA-N 0 0 191.230 1.344 10 0 ADAERN CC(=O)C[C@H](C)c1cncnc1 82807220 573206366 /nfs/dbraw/zinc/20/63/66/573206366.db2.gz WXMMFHYCZSEVJA-ZETCQYMHSA-N 0 0 164.208 1.559 10 0 ADAERN CC(C)(C)N1N=C2CCC[C@H]2C1=O 104707304 573206381 /nfs/dbraw/zinc/20/63/81/573206381.db2.gz SKCBQRYASILURT-SSDOTTSWSA-N 0 0 180.251 1.783 10 0 ADAERN CCc1nc2nc(C(C)=O)ccc2o1 238312811 573206423 /nfs/dbraw/zinc/20/64/23/573206423.db2.gz CLEDRBYDCMMFFI-UHFFFAOYSA-N 0 0 190.202 1.988 10 0 ADAERN COC[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1C 308310066 573206426 /nfs/dbraw/zinc/20/64/26/573206426.db2.gz QUWSGNSMUJJQQG-CIUDSAMLSA-N 0 0 185.267 1.136 10 0 ADAERN CC[C@H]1CNC(=O)Cc2ccccc21 238312453 573206430 /nfs/dbraw/zinc/20/64/30/573206430.db2.gz NRIDBENLZIVAJK-VIFPVBQESA-N 0 0 189.258 1.853 10 0 ADAERN CC[C@H]([NH3+])c1cc(N)cc(C(=O)[O-])c1 238313451 573206436 /nfs/dbraw/zinc/20/64/36/573206436.db2.gz IQXPZZRPUDIXBJ-VIFPVBQESA-N 0 0 194.234 1.377 10 0 ADAERN C[N@@H+]1CC[C@H](CC(=O)[O-])[C@@]1(C)C1CC1 107187773 573206446 /nfs/dbraw/zinc/20/64/46/573206446.db2.gz SOFNSLNFENCPSW-MWLCHTKSSA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@H](O)[C@@](C)(O)c1cccnc1 238312379 573206463 /nfs/dbraw/zinc/20/64/63/573206463.db2.gz YSUHRWPURGMBSH-UWVGGRQHSA-N 0 0 181.235 1.060 10 0 ADAERN CC[NH2+][C@]1(CC(=O)[O-])CCC[C@@H]2C[C@@H]21 107187834 573206468 /nfs/dbraw/zinc/20/64/68/573206468.db2.gz OGOUZSUQHIGGFC-YWVKMMECSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@H](O)C[C@@H](C)c1ccnn1C 82811263 573207806 /nfs/dbraw/zinc/20/78/06/573207806.db2.gz GMBMSTMMTAEOLR-SFYZADRCSA-N 0 0 168.240 1.295 10 0 ADAERN O=C1C[C@H]2CCCC(=O)[C@@H]2C1 222751264 573206491 /nfs/dbraw/zinc/20/64/91/573206491.db2.gz STWNYXYLPWRILT-HTRCEHHLSA-N 0 0 152.193 1.335 10 0 ADAERN CC[C@]12CCC(=O)C[C@H]1NC(=O)CC2 238313336 573206501 /nfs/dbraw/zinc/20/65/01/573206501.db2.gz IAZPSLXRXMUBIP-MWLCHTKSSA-N 0 0 195.262 1.414 10 0 ADAERN COC[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C 308310076 573206503 /nfs/dbraw/zinc/20/65/03/573206503.db2.gz QUWSGNSMUJJQQG-VGMNWLOBSA-N 0 0 185.267 1.136 10 0 ADAERN CCc1cc2c(cc1OC)C(=O)CO2 238313076 573206507 /nfs/dbraw/zinc/20/65/07/573206507.db2.gz WLFAIYVEBLDYJB-UHFFFAOYSA-N 0 0 192.214 1.833 10 0 ADAERN CCC(=O)CNC(=O)[C@@H]1CC1(C)C 308310495 573206520 /nfs/dbraw/zinc/20/65/20/573206520.db2.gz QZVBAKBVBULNFT-QMMMGPOBSA-N 0 0 183.251 1.128 10 0 ADAERN NOCc1cccc(Cl)c1O 257964682 573206543 /nfs/dbraw/zinc/20/65/43/573206543.db2.gz HIRABKOPGBEUKY-UHFFFAOYSA-N 0 0 173.599 1.436 10 0 ADAERN CC(=O)Nc1ccc(N(C)C)c(O)c1 238313501 573206548 /nfs/dbraw/zinc/20/65/48/573206548.db2.gz GHKMLDCLRMBLSO-UHFFFAOYSA-N 0 0 194.234 1.417 10 0 ADAERN Cc1noc(N)c1[C@H]1CCCCO1 257963861 573206562 /nfs/dbraw/zinc/20/65/62/573206562.db2.gz XRZMLRJYGCYIHL-SSDOTTSWSA-N 0 0 182.223 1.807 10 0 ADAERN CC[C@]12CCC(C)C(=CC1=O)C2=O 238313245 573206563 /nfs/dbraw/zinc/20/65/63/573206563.db2.gz TWZJKALHLZPOQM-KCJUWKMLSA-N 0 0 178.231 1.891 10 0 ADAERN COCc1ccc([C@@H](C)O)cc1O 257964805 573206567 /nfs/dbraw/zinc/20/65/67/573206567.db2.gz CBFAKZXVXGWHRI-SSDOTTSWSA-N 0 0 182.219 1.592 10 0 ADAERN CC[C@H]1CNC(=O)C[C@H]1CC 238312422 573206568 /nfs/dbraw/zinc/20/65/68/573206568.db2.gz LMKGPCAVRVCMLQ-SFYZADRCSA-N 0 0 155.241 1.559 10 0 ADAERN C/C=C/C=C/C(=S)NC 104708562 573206569 /nfs/dbraw/zinc/20/65/69/573206569.db2.gz XBHSDAJRCRDMMD-VNKDHWASSA-N 0 0 141.239 1.666 10 0 ADAERN Nc1cc([C@@H]2CCSC2)no1 259603497 573206584 /nfs/dbraw/zinc/20/65/84/573206584.db2.gz DGMJHZASAQVNCA-RXMQYKEDSA-N 0 0 170.237 1.477 10 0 ADAERN CCCSCNC(C)=O 104708557 573206605 /nfs/dbraw/zinc/20/66/05/573206605.db2.gz BXUCUCHRZDITDV-UHFFFAOYSA-N 0 0 147.243 1.223 10 0 ADAERN CCOCC(=O)OCCC(C)(F)F 308310462 573206611 /nfs/dbraw/zinc/20/66/11/573206611.db2.gz RAMBYHXPALSMLS-UHFFFAOYSA-N 0 0 196.193 1.611 10 0 ADAERN OCc1ncoc1CC1CCCC1 85942241 573206618 /nfs/dbraw/zinc/20/66/18/573206618.db2.gz BAIAAHPCBNJFKF-UHFFFAOYSA-N 0 0 181.235 1.900 10 0 ADAERN O=C([O-])C[C@@H]1CC[NH2+][C@H]1C1CCCC1 107187788 573206621 /nfs/dbraw/zinc/20/66/21/573206621.db2.gz CUICZDSJXBYOHV-ONGXEEELSA-N 0 0 197.278 1.629 10 0 ADAERN CCO[P@@]1(=O)C=C[C@@H](O)C1 238313111 573206642 /nfs/dbraw/zinc/20/66/42/573206642.db2.gz HGMDEKJPAQJGQL-LDWIPMOCSA-N 0 0 162.125 1.189 10 0 ADAERN Cc1ncc(-c2ocnc2CO)s1 235962881 573206653 /nfs/dbraw/zinc/20/66/53/573206653.db2.gz FGWZLYBKQYBCCO-UHFFFAOYSA-N 0 0 196.231 1.599 10 0 ADAERN CCON(C)C(=O)NC[C@@H]1C[C@H]1C 308308188 573206660 /nfs/dbraw/zinc/20/66/60/573206660.db2.gz PETYVLAJZKCEPX-SFYZADRCSA-N 0 0 186.255 1.235 10 0 ADAERN C[C@]1(C2CCCC2)[NH2+]CC[C@H]1C(=O)[O-] 107187800 573206665 /nfs/dbraw/zinc/20/66/65/573206665.db2.gz WJKHCEUVOPTULE-GXSJLCMTSA-N 0 0 197.278 1.629 10 0 ADAERN CCc1cc2c(cc1CON)OCO2 257964733 573206688 /nfs/dbraw/zinc/20/66/88/573206688.db2.gz CAIQFPSUIZYTKF-UHFFFAOYSA-N 0 0 195.218 1.368 10 0 ADAERN CC(C)Cc1ocnc1CO 85942171 573206695 /nfs/dbraw/zinc/20/66/95/573206695.db2.gz MSRNBSNLYGMIRQ-UHFFFAOYSA-N 0 0 155.197 1.365 10 0 ADAERN C/C=C\C[C@H](O)C(F)(F)F 219347072 573206720 /nfs/dbraw/zinc/20/67/20/573206720.db2.gz HHYRTRFPHQPVEH-KQLGLEPJSA-N 0 0 154.131 1.876 10 0 ADAERN CC[C@H]1CNC(=O)C2(CCC2)C1 238312909 573206738 /nfs/dbraw/zinc/20/67/38/573206738.db2.gz PRHQVFHKZAGGFW-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN CO[C@@H]1CCC[C@@H]1OC(=O)C(F)F 308308200 573206765 /nfs/dbraw/zinc/20/67/65/573206765.db2.gz PEWMDYVENVRCFA-RITPCOANSA-N 0 0 194.177 1.362 10 0 ADAERN C/C=C/[C@@H](C)[C@@H](O)CC 238313447 573206774 /nfs/dbraw/zinc/20/67/74/573206774.db2.gz DINWILSXOCSKME-SLQBNDFVSA-N 0 0 128.215 1.970 10 0 ADAERN Cc1ncnc(Nn2cccc2)c1F 235961133 573206780 /nfs/dbraw/zinc/20/67/80/573206780.db2.gz CTGJYEKOHQUMKD-UHFFFAOYSA-N 0 0 192.197 1.601 10 0 ADAERN OCC[C@@H]1CCSCC1(F)F 257965473 573206783 /nfs/dbraw/zinc/20/67/83/573206783.db2.gz XXTWDTMHPIJUJK-ZCFIWIBFSA-N 0 0 182.235 1.757 10 0 ADAERN OCc1ncoc1CC(F)(F)F 85942482 573206799 /nfs/dbraw/zinc/20/67/99/573206799.db2.gz NKDHJJLXZHNIJG-UHFFFAOYSA-N 0 0 181.113 1.272 10 0 ADAERN CO[C@H]1CNc2cccc(C)c2C1 257963928 573206818 /nfs/dbraw/zinc/20/68/18/573206818.db2.gz XSRVOJSOMCCTHN-SECBINFHSA-N 0 0 177.247 1.978 10 0 ADAERN CSCCn1nnc(N)c1C1CC1 132076156 573206838 /nfs/dbraw/zinc/20/68/38/573206838.db2.gz OXLVXMGSVJDVCK-UHFFFAOYSA-N 0 0 198.295 1.101 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)OCCCF 308310321 573206855 /nfs/dbraw/zinc/20/68/55/573206855.db2.gz QWXANNZGDWREIA-JGVFFNPUSA-N 0 0 190.214 1.314 10 0 ADAERN Cc1c(CO)ccc(N(C)C)c1C 238312392 573206861 /nfs/dbraw/zinc/20/68/61/573206861.db2.gz IPZGOCQPEVTBDL-UHFFFAOYSA-N 0 0 179.263 1.862 10 0 ADAERN CN1CCc2c(Cl)ccnc21 238312944 573206868 /nfs/dbraw/zinc/20/68/68/573206868.db2.gz UZFVURCDJMHGCR-UHFFFAOYSA-N 0 0 168.627 1.727 10 0 ADAERN CCc1nc2c[nH]nc2s1 238312606 573206875 /nfs/dbraw/zinc/20/68/75/573206875.db2.gz AVYROCZEDCOAFW-UHFFFAOYSA-N 0 0 153.210 1.582 10 0 ADAERN Cc1noc(C[C@H]2CCCC[C@H]2O)n1 235959388 573206882 /nfs/dbraw/zinc/20/68/82/573206882.db2.gz QGARBLHAIIAVAI-RKDXNWHRSA-N 0 0 196.250 1.472 10 0 ADAERN CC(C)(O)c1ccc(F)c2c1OCO2 257964832 573206894 /nfs/dbraw/zinc/20/68/94/573206894.db2.gz CBJAEYPPNXUYNU-UHFFFAOYSA-N 0 0 198.193 1.782 10 0 ADAERN CC(=O)Cc1nc2ccc(C)cn2n1 259371832 573206896 /nfs/dbraw/zinc/20/68/96/573206896.db2.gz GJBYJYDUYCXJGD-UHFFFAOYSA-N 0 0 189.218 1.169 10 0 ADAERN CCc1cc2c(cc1O)C(=O)CCO2 238313101 573206897 /nfs/dbraw/zinc/20/68/97/573206897.db2.gz PDOPIFACJIHSOP-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN Cc1ccc(-c2ocnc2CO)o1 85942517 573206898 /nfs/dbraw/zinc/20/68/98/573206898.db2.gz FBVZULYJYWPFEV-UHFFFAOYSA-N 0 0 179.175 1.735 10 0 ADAERN CNOc1ccc(Cl)s1 257964234 573206902 /nfs/dbraw/zinc/20/69/02/573206902.db2.gz NIYDMVZTUCXXET-UHFFFAOYSA-N 0 0 163.629 1.915 10 0 ADAERN C/C(=C/c1ccc[nH]1)CO 104705518 573206905 /nfs/dbraw/zinc/20/69/05/573206905.db2.gz HYVRYTFJAUEQSF-ALCCZGGFSA-N 0 0 137.182 1.410 10 0 ADAERN CCO[P@@]1(=O)C=C(N)C(C)(C)O1 238313170 573206919 /nfs/dbraw/zinc/20/69/19/573206919.db2.gz RBVXXNRPQDXYBK-LBPRGKRZSA-N 0 0 191.167 1.825 10 0 ADAERN CC1CCC2(CC1)[NH2+]CC[C@@H]2C(=O)[O-] 107187815 573206929 /nfs/dbraw/zinc/20/69/29/573206929.db2.gz YQCLXRJRHQJIBR-INWMGODYSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1nc(Cl)nc2c1CCOC2 257970683 573206935 /nfs/dbraw/zinc/20/69/35/573206935.db2.gz YQRIFAAFBUDSEE-UHFFFAOYSA-N 0 0 184.626 1.511 10 0 ADAERN CO[C@H](C)Cc1ncc(C(C)=O)s1 129046001 573206939 /nfs/dbraw/zinc/20/69/39/573206939.db2.gz QCRZSEXGSNDVST-ZCFIWIBFSA-N 0 0 199.275 1.923 10 0 ADAERN CCO[C@@H](C)C[C@H](C)O 82815398 573206946 /nfs/dbraw/zinc/20/69/46/573206946.db2.gz DVROQYMZVUQOOO-BQBZGAKWSA-N 0 0 132.203 1.182 10 0 ADAERN Cc1nc(-c2cnn(C)c2)ccc1N 235961011 573206962 /nfs/dbraw/zinc/20/69/62/573206962.db2.gz SULUVABNLSAMJS-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(=O)CC(C)(C)c1cccnc1N 82816144 573206965 /nfs/dbraw/zinc/20/69/65/573206965.db2.gz WZQSMDDRHCRBRB-UHFFFAOYSA-N 0 0 192.262 1.921 10 0 ADAERN CC[C@H](CO)c1ccc[nH]1 77947189 573206967 /nfs/dbraw/zinc/20/69/67/573206967.db2.gz IQLJKJSVSUADEZ-SSDOTTSWSA-N 0 0 139.198 1.501 10 0 ADAERN CCc1nc2cnc(SC)nc2[nH]1 238312682 573206969 /nfs/dbraw/zinc/20/69/69/573206969.db2.gz YAPMQUUXKKYASX-UHFFFAOYSA-N 0 0 194.263 1.637 10 0 ADAERN O=C1NC2(CC2)CC12CCCCC2 257965430 573207890 /nfs/dbraw/zinc/20/78/90/573207890.db2.gz XWMYLUKANSVJHO-UHFFFAOYSA-N 0 0 179.263 1.989 10 0 ADAERN ONCc1cccc(-c2ncco2)c1 257964921 573206978 /nfs/dbraw/zinc/20/69/78/573206978.db2.gz CCTBVFCBMYDGQM-UHFFFAOYSA-N 0 0 190.202 1.820 10 0 ADAERN Cc1cc(CO)c(C)n1C(C)C 642876895 573206993 /nfs/dbraw/zinc/20/69/93/573206993.db2.gz XYGPZJUKJFWQPV-UHFFFAOYSA-N 0 0 166.244 1.684 10 0 ADAERN OCc1ncoc1[C@H]1CCCO1 85942401 573206994 /nfs/dbraw/zinc/20/69/94/573206994.db2.gz FDYAWUYIXOISKX-SSDOTTSWSA-N 0 0 169.180 1.018 10 0 ADAERN CC[C@@H](C)[C@H](OC)C(=O)OC1CC1 308310690 573206997 /nfs/dbraw/zinc/20/69/97/573206997.db2.gz REFLVKFPYZJFEG-APPZFPTMSA-N 0 0 186.251 1.753 10 0 ADAERN C[N@@H+]1CC[C@@H](CC(=O)[O-])C12CCCC2 107187780 573207001 /nfs/dbraw/zinc/20/70/01/573207001.db2.gz KUVJOQZJALHDBW-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@H](O)[C@@](C)(O)c1ccccn1 238312370 573207005 /nfs/dbraw/zinc/20/70/05/573207005.db2.gz FLVAASXDJORJBO-UWVGGRQHSA-N 0 0 181.235 1.060 10 0 ADAERN CO[C@@H](C)Cc1nc(C(C)=O)cs1 129046699 573207022 /nfs/dbraw/zinc/20/70/22/573207022.db2.gz JZIUKSZMNDWZHT-LURJTMIESA-N 0 0 199.275 1.923 10 0 ADAERN CC(=O)c1n[nH]c2c1CCSC2 257970482 573207030 /nfs/dbraw/zinc/20/70/30/573207030.db2.gz YOPCDCBYTHSYSV-UHFFFAOYSA-N 0 0 182.248 1.402 10 0 ADAERN C[C@@H](O)C[C@@H](C)c1cncnc1 82812247 573207038 /nfs/dbraw/zinc/20/70/38/573207038.db2.gz YWZOCSMJXRECNY-HTQZYQBOSA-N 0 0 166.224 1.351 10 0 ADAERN CC=C(C)c1c[nH]cn1 104707177 573207044 /nfs/dbraw/zinc/20/70/44/573207044.db2.gz AVVRDVRWQZDCFS-ZZXKWVIFSA-N 0 0 122.171 1.833 10 0 ADAERN C[C@@H](CO)c1cc(F)c(F)cc1O 257965113 573207054 /nfs/dbraw/zinc/20/70/54/573207054.db2.gz CFQTXXHTEPHPGT-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN ONCc1ccccc1OC(F)F 132082698 573207057 /nfs/dbraw/zinc/20/70/57/573207057.db2.gz VXMHGYBXNXYCTD-UHFFFAOYSA-N 0 0 189.161 1.767 10 0 ADAERN C[C@@H](O)C[C@@H](C)c1cnccn1 82812313 573207060 /nfs/dbraw/zinc/20/70/60/573207060.db2.gz HKISDGCWHLHONR-HTQZYQBOSA-N 0 0 166.224 1.351 10 0 ADAERN NCC(=O)c1ccc(CCCF)cc1 257965046 573207171 /nfs/dbraw/zinc/20/71/71/573207171.db2.gz CEXYHZDJYFXPNH-UHFFFAOYSA-N 0 0 195.237 1.730 10 0 ADAERN CCOCCC[N@@H+]1CC[C@@](C)(F)C1 308310620 573207089 /nfs/dbraw/zinc/20/70/89/573207089.db2.gz RMCZCGJCOGNGRT-SNVBAGLBSA-N 0 0 189.274 1.847 10 0 ADAERN OCc1csc(N2CCCC2)n1 85955733 573207093 /nfs/dbraw/zinc/20/70/93/573207093.db2.gz JSBQCBWNBNYQMY-UHFFFAOYSA-N 0 0 184.264 1.236 10 0 ADAERN O=C1C[C@H](c2ccc(F)cc2)ON1 257965358 573207106 /nfs/dbraw/zinc/20/71/06/573207106.db2.gz XVDPFESCGSDLQP-MRVPVSSYSA-N 0 0 181.166 1.318 10 0 ADAERN COC(=O)c1ccc(/C=C\CO)o1 211910983 573207112 /nfs/dbraw/zinc/20/71/12/573207112.db2.gz GUOSDDPVOMZSCU-IHWYPQMZSA-N 0 0 182.175 1.072 10 0 ADAERN C[NH2+][C@@H](C)c1csc(C(=O)[O-])c1 257965368 573207115 /nfs/dbraw/zinc/20/71/15/573207115.db2.gz XVGNOPZUQURJDH-YFKPBYRVSA-N 0 0 185.248 1.727 10 0 ADAERN C[N@@H+]1CC[C@@H](CC(=O)[O-])[C@]1(C)C1CC1 107187764 573207120 /nfs/dbraw/zinc/20/71/20/573207120.db2.gz SOFNSLNFENCPSW-ONGXEEELSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@]1([C@@H]2CCCCO2)CCC(=O)N1 257970399 573207122 /nfs/dbraw/zinc/20/71/22/573207122.db2.gz YNRPIIOYLRIYRW-WPRPVWTQSA-N 0 0 183.251 1.224 10 0 ADAERN CCC[C@H](CC)[N@H+](CC)CC(=O)[O-] 233341737 573207142 /nfs/dbraw/zinc/20/71/42/573207142.db2.gz IDIIRZAJZBUJRB-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN Cc1nc(CNC2(C)CC2)no1 235955346 573207146 /nfs/dbraw/zinc/20/71/46/573207146.db2.gz ZIOOLZIHHBNMKF-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN O=C1NCC[C@@H]1CC[C@H]1C[C@@H]1C1CC1 714853498 573207155 /nfs/dbraw/zinc/20/71/55/573207155.db2.gz ATAOTJYNSJIQJB-GARJFASQSA-N 0 0 193.290 1.949 10 0 ADAERN Cc1nc(-c2ccco2)c(C)c(=O)[nH]1 235957455 573207156 /nfs/dbraw/zinc/20/71/56/573207156.db2.gz WVJSBCFKWRJNNG-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN CCC(C)(C)CCOC(=O)[C@@H](C)O 308310305 573207164 /nfs/dbraw/zinc/20/71/64/573207164.db2.gz QWPFJVNEZCONMD-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN CNC(=O)[C@@H]1CCCC=C1C 238312296 573207194 /nfs/dbraw/zinc/20/71/94/573207194.db2.gz ZMDCMNUDVRVWGS-MRVPVSSYSA-N 0 0 153.225 1.479 10 0 ADAERN Cc1noc(C[C@@H]2CCCC[C@@H]2O)n1 235959290 573207195 /nfs/dbraw/zinc/20/71/95/573207195.db2.gz QGARBLHAIIAVAI-IUCAKERBSA-N 0 0 196.250 1.472 10 0 ADAERN C[C@H](O)C[C@H](C)c1cnccn1 82812315 573207202 /nfs/dbraw/zinc/20/72/02/573207202.db2.gz HKISDGCWHLHONR-YUMQZZPRSA-N 0 0 166.224 1.351 10 0 ADAERN C[C@H](O)[C@H](F)[C@H]1CCCSC1 257965446 573207208 /nfs/dbraw/zinc/20/72/08/573207208.db2.gz XWZSMQREMFFCIM-FXQIFTODSA-N 0 0 178.272 1.849 10 0 ADAERN Cc1ncc([C@@H](O)[C@@H]2CCOC2)s1 235954297 573207211 /nfs/dbraw/zinc/20/72/11/573207211.db2.gz ICQDOEWUYIYTEY-APPZFPTMSA-N 0 0 199.275 1.521 10 0 ADAERN C[N@@H+]1CC[C@H](CC(=O)[O-])[C@]1(C)C1CC1 107187769 573207233 /nfs/dbraw/zinc/20/72/33/573207233.db2.gz SOFNSLNFENCPSW-KOLCDFICSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H](O)C[C@H](C)c1cccnc1 82811781 573207244 /nfs/dbraw/zinc/20/72/44/573207244.db2.gz JEKTYQHXKWYSGO-IUCAKERBSA-N 0 0 165.236 1.956 10 0 ADAERN O=C1N[C@@H](Cc2cccc(F)c2)CO1 258485330 573207246 /nfs/dbraw/zinc/20/72/46/573207246.db2.gz QSSRKBBKYMEJOE-VIFPVBQESA-N 0 0 195.193 1.477 10 0 ADAERN Nc1nc([C@H]2CCCCO2)co1 259603501 573207254 /nfs/dbraw/zinc/20/72/54/573207254.db2.gz DGPLBPLNZLJUSV-SSDOTTSWSA-N 0 0 168.196 1.498 10 0 ADAERN CC(C)(C)c1ocnc1CO 85942370 573207280 /nfs/dbraw/zinc/20/72/80/573207280.db2.gz SRCYIGRVJUYRSG-UHFFFAOYSA-N 0 0 155.197 1.464 10 0 ADAERN C[C@H](O)C[C@@H](C)OC1CCC1 82815579 573207291 /nfs/dbraw/zinc/20/72/91/573207291.db2.gz ZMZISPKRBUWRFN-JGVFFNPUSA-N 0 0 158.241 1.715 10 0 ADAERN C[C@@H](O)C[C@@H](C)n1cccn1 82815314 573207348 /nfs/dbraw/zinc/20/73/48/573207348.db2.gz POLFWPCHODHFDF-HTQZYQBOSA-N 0 0 154.213 1.215 10 0 ADAERN CCOCc1nc(N)cn1C(C)C 257964784 573207361 /nfs/dbraw/zinc/20/73/61/573207361.db2.gz YXNHNGAMDBVGHC-UHFFFAOYSA-N 0 0 183.255 1.583 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)OCCCF 308310323 573207364 /nfs/dbraw/zinc/20/73/64/573207364.db2.gz QWXANNZGDWREIA-SFYZADRCSA-N 0 0 190.214 1.314 10 0 ADAERN C[C@H](O)C1(Cc2ccoc2)CC1 235530302 573207392 /nfs/dbraw/zinc/20/73/92/573207392.db2.gz XPMJODKOOOWHNE-QMMMGPOBSA-N 0 0 166.220 1.983 10 0 ADAERN C[C@@]1(C2CCCC2)[NH2+]CC[C@@H]1C(=O)[O-] 107187803 573207399 /nfs/dbraw/zinc/20/73/99/573207399.db2.gz WJKHCEUVOPTULE-KOLCDFICSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@H](O)[C@@H](F)[C@@H]1CCCSC1 257965449 573207403 /nfs/dbraw/zinc/20/74/03/573207403.db2.gz XWZSMQREMFFCIM-XLPZGREQSA-N 0 0 178.272 1.849 10 0 ADAERN CC(C)c1c[nH]c(CO)n1 104705845 573207404 /nfs/dbraw/zinc/20/74/04/573207404.db2.gz JXAXECYHMJAGMJ-UHFFFAOYSA-N 0 0 140.186 1.025 10 0 ADAERN OCc1ncoc1-c1ccsc1 85942444 573207415 /nfs/dbraw/zinc/20/74/15/573207415.db2.gz AWFNNPUUDDHXCK-UHFFFAOYSA-N 0 0 181.216 1.895 10 0 ADAERN OCc1ncoc1[C@H]1CCCCO1 85942366 573207424 /nfs/dbraw/zinc/20/74/24/573207424.db2.gz RHVGZZVHLGVHOB-MRVPVSSYSA-N 0 0 183.207 1.409 10 0 ADAERN O=C1CCc2cc[nH]c2CC1 104707574 573207446 /nfs/dbraw/zinc/20/74/46/573207446.db2.gz RKTUVTQIOCDRDW-UHFFFAOYSA-N 0 0 149.193 1.463 10 0 ADAERN CCOC(=O)[C@H](NC)[C@]1(C)C[C@@H]1C 714647149 573207454 /nfs/dbraw/zinc/20/74/54/573207454.db2.gz SFXZGOUSSGOLAK-OYNCUSHFSA-N 0 0 185.267 1.184 10 0 ADAERN CNC1=CC(=N)OC12CCCCC2 238312775 573207456 /nfs/dbraw/zinc/20/74/56/573207456.db2.gz QQHKZLCLSZGTCG-UHFFFAOYSA-N 0 0 180.251 1.800 10 0 ADAERN Cc1nccn1[C@H](C)C[C@@H](C)O 82815302 573207457 /nfs/dbraw/zinc/20/74/57/573207457.db2.gz NRPGATKBOIHTHZ-HTQZYQBOSA-N 0 0 168.240 1.523 10 0 ADAERN COCc1ccc([C@H](C)O)cc1O 257964810 573207866 /nfs/dbraw/zinc/20/78/66/573207866.db2.gz CBFAKZXVXGWHRI-ZETCQYMHSA-N 0 0 182.219 1.592 10 0 ADAERN Cc1ccc(N)cc1SCC(N)=O 85935116 573207478 /nfs/dbraw/zinc/20/74/78/573207478.db2.gz UXPWYFYBFYOVII-UHFFFAOYSA-N 0 0 196.275 1.155 10 0 ADAERN CC(=O)c1cc(F)ccc1C=O 257964425 573207483 /nfs/dbraw/zinc/20/74/83/573207483.db2.gz HGOUTXHNZPTZJI-UHFFFAOYSA-N 0 0 166.151 1.841 10 0 ADAERN Cc1ccc(C(=O)CN)c(C)c1C 259036232 573207495 /nfs/dbraw/zinc/20/74/95/573207495.db2.gz ANTQRIHBGSEIET-UHFFFAOYSA-N 0 0 177.247 1.753 10 0 ADAERN COC(=O)NCC[Si](C)(C)C 238313106 573207507 /nfs/dbraw/zinc/20/75/07/573207507.db2.gz MJHUUIXRQZMDQE-UHFFFAOYSA-N 0 0 175.304 1.681 10 0 ADAERN C[C@H]1C[C@@H]1c1ocnc1CO 85942758 573207516 /nfs/dbraw/zinc/20/75/16/573207516.db2.gz XHKTVTKKACSEDJ-WDSKDSINSA-N 0 0 153.181 1.290 10 0 ADAERN OCc1ncoc1[C@@H]1CCCO1 85942396 573207524 /nfs/dbraw/zinc/20/75/24/573207524.db2.gz FDYAWUYIXOISKX-ZETCQYMHSA-N 0 0 169.180 1.018 10 0 ADAERN CNC(=O)[C@@H]1CCC=C(C)C1 238312240 573207531 /nfs/dbraw/zinc/20/75/31/573207531.db2.gz IUSCFOSNSDAKSW-MRVPVSSYSA-N 0 0 153.225 1.479 10 0 ADAERN CO[C@@H]1CNc2cccc(C)c2C1 257963931 573207539 /nfs/dbraw/zinc/20/75/39/573207539.db2.gz XSRVOJSOMCCTHN-VIFPVBQESA-N 0 0 177.247 1.978 10 0 ADAERN CN(CC(=O)Nc1ccccc1)N=O 238312152 573207544 /nfs/dbraw/zinc/20/75/44/573207544.db2.gz PCFAQXBMDJADBG-UHFFFAOYSA-N 0 0 193.206 1.238 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1cn(C)nn1 714647643 573207552 /nfs/dbraw/zinc/20/75/52/573207552.db2.gz UJDSIRQOEGDDLC-APPZFPTMSA-N 0 0 180.255 1.273 10 0 ADAERN Cc1noc(CN[C@@H]2C=CCCC2)n1 235954766 573207568 /nfs/dbraw/zinc/20/75/68/573207568.db2.gz LFXMYNZQTNAMEK-SECBINFHSA-N 0 0 193.250 1.576 10 0 ADAERN COCc1ocnc1CNC1CC1 85941393 573207571 /nfs/dbraw/zinc/20/75/71/573207571.db2.gz YDLHTZPONOZPAQ-UHFFFAOYSA-N 0 0 182.223 1.073 10 0 ADAERN O=C1NCC[C@@H]1CC[C@H]1C[C@H]1C1CC1 714853497 573207583 /nfs/dbraw/zinc/20/75/83/573207583.db2.gz ATAOTJYNSJIQJB-DCAQKATOSA-N 0 0 193.290 1.949 10 0 ADAERN C[C@H](O)C1(Cc2cncs2)CC1 235530383 573207617 /nfs/dbraw/zinc/20/76/17/573207617.db2.gz NMDHZNDUDNEPGY-ZETCQYMHSA-N 0 0 183.276 1.847 10 0 ADAERN CCO[P@@]1(=O)C=C(C)[C@@H](O)C1 238313105 573207653 /nfs/dbraw/zinc/20/76/53/573207653.db2.gz UILSRYKEFQAKRD-CPCISQLKSA-N 0 0 176.152 1.579 10 0 ADAERN CC1=C(C(C)C)C(=O)NC1 104706255 573207658 /nfs/dbraw/zinc/20/76/58/573207658.db2.gz AUNONXMMFJCURW-UHFFFAOYSA-N 0 0 139.198 1.089 10 0 ADAERN OCc1ncoc1CC1CC1 85942782 573207662 /nfs/dbraw/zinc/20/76/62/573207662.db2.gz QOVXRLAXMHVLDT-UHFFFAOYSA-N 0 0 153.181 1.119 10 0 ADAERN C/C(=C\[C@]1(C)C[C@H]1C)CO 642875188 573207676 /nfs/dbraw/zinc/20/76/76/573207676.db2.gz OGQVJOBTDRXDAS-AOZRHXBJSA-N 0 0 140.226 1.971 10 0 ADAERN C[NH2+][C@H](C)c1ccc(C(=O)[O-])n1C 257970461 573207688 /nfs/dbraw/zinc/20/76/88/573207688.db2.gz YOGJEYYDNCCBNG-ZCFIWIBFSA-N 0 0 182.223 1.004 10 0 ADAERN CC[C@H](O)[C@H](C)F 238312945 573207689 /nfs/dbraw/zinc/20/76/89/573207689.db2.gz GTGJOHJHJCFKLQ-WHFBIAKZSA-N 0 0 106.140 1.115 10 0 ADAERN CC(C)(O)c1cccc2c1COCO2 257964974 573207697 /nfs/dbraw/zinc/20/76/97/573207697.db2.gz CDNNYMRNYRPXRG-UHFFFAOYSA-N 0 0 194.230 1.781 10 0 ADAERN CNc1cnc(C)cc1C 104706225 573207705 /nfs/dbraw/zinc/20/77/05/573207705.db2.gz XDHPEJLTRTYRFY-UHFFFAOYSA-N 0 0 136.198 1.740 10 0 ADAERN Nc1ccc(O)cc1[C@@H](O)C1CC1 257970529 573207882 /nfs/dbraw/zinc/20/78/82/573207882.db2.gz YPEJXXGEDGTVJZ-JTQLQIEISA-N 0 0 179.219 1.418 10 0 ADAERN Cn1nnc(C=O)c1C1CCCC1 257971984 573210530 /nfs/dbraw/zinc/21/05/30/573210530.db2.gz YSDDGXVXBKIEQC-UHFFFAOYSA-N 0 0 179.223 1.285 10 0 ADAERN CC[C@H]1CO[C@H](c2ccccn2)N1 238313895 573210860 /nfs/dbraw/zinc/21/08/60/573210860.db2.gz RKHJMGGTXPKLCS-WCBMZHEXSA-N 0 0 178.235 1.479 10 0 ADAERN CCCCCC(=O)OC[C@H](C)CO 308308564 573211244 /nfs/dbraw/zinc/21/12/44/573211244.db2.gz PRUZIAXKWSVYFF-SECBINFHSA-N 0 0 188.267 1.738 10 0 ADAERN CC[C@]1(C)OCC(=O)[C@H]1C 238307260 573211330 /nfs/dbraw/zinc/21/13/30/573211330.db2.gz CUGYRADNNFQGPQ-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN C[C@H](O)C[C@H](C)c1cncnc1 82812248 573210981 /nfs/dbraw/zinc/21/09/81/573210981.db2.gz YWZOCSMJXRECNY-YUMQZZPRSA-N 0 0 166.224 1.351 10 0 ADAERN c1c[nH]c(Cc2ccc[nH]2)c1 104710563 573211482 /nfs/dbraw/zinc/21/14/82/573211482.db2.gz MAZSWHXAPJNJTC-UHFFFAOYSA-N 0 0 146.193 1.916 10 0 ADAERN CCOc1cccc(OC)c1CNO 257971129 573210991 /nfs/dbraw/zinc/21/09/91/573210991.db2.gz CWVHVCPRLJNGSM-UHFFFAOYSA-N 0 0 197.234 1.573 10 0 ADAERN CCSc1cnc(N)nc1C 238307019 573211336 /nfs/dbraw/zinc/21/13/36/573211336.db2.gz HOGRKTKZABNARG-UHFFFAOYSA-N 0 0 169.253 1.479 10 0 ADAERN CCC/C=C1\CCNC1=O 104710598 573211342 /nfs/dbraw/zinc/21/13/42/573211342.db2.gz GSDJOQKAXVVJKO-QPJJXVBHSA-N 0 0 139.198 1.233 10 0 ADAERN Cc1noc(C[C@H]2CCCC[C@@H]2O)n1 235959368 573209361 /nfs/dbraw/zinc/20/93/61/573209361.db2.gz QGARBLHAIIAVAI-BDAKNGLRSA-N 0 0 196.250 1.472 10 0 ADAERN C[C@H](O)C[C@@H](C)c1nccn1C 82811633 573209363 /nfs/dbraw/zinc/20/93/63/573209363.db2.gz MPZVYGMXSIKOCY-SFYZADRCSA-N 0 0 168.240 1.295 10 0 ADAERN CCSC(=O)c1ccn(C)c1N 257965614 573209372 /nfs/dbraw/zinc/20/93/72/573209372.db2.gz UXGGIPZQYIXLFC-UHFFFAOYSA-N 0 0 184.264 1.501 10 0 ADAERN CCO[P@](C)(=O)CC=O 238312487 573209380 /nfs/dbraw/zinc/20/93/80/573209380.db2.gz IXFOEJVEMMJIOH-MOVJSRMASA-N 0 0 150.114 1.960 10 0 ADAERN O=C1C[C@@H](c2ccc(F)cc2)ON1 257965360 573209389 /nfs/dbraw/zinc/20/93/89/573209389.db2.gz XVDPFESCGSDLQP-QMMMGPOBSA-N 0 0 181.166 1.318 10 0 ADAERN Cc1cnn([C@H](C)C[C@@H](C)O)c1 82815330 573211424 /nfs/dbraw/zinc/21/14/24/573211424.db2.gz DYMUDYORFRFDOI-RKDXNWHRSA-N 0 0 168.240 1.523 10 0 ADAERN C[C@@H]1CNc2cc(N)ccc2OC1 259372944 573209400 /nfs/dbraw/zinc/20/94/00/573209400.db2.gz VOAIIPWCWBBSMY-SSDOTTSWSA-N 0 0 178.235 1.709 10 0 ADAERN CN=C1N=NC(C(C)(C)C)CS1 238313553 573209401 /nfs/dbraw/zinc/20/94/01/573209401.db2.gz CQOZYZIDFHXXLT-UHFFFAOYSA-N 0 0 185.296 1.711 10 0 ADAERN CC(=O)CC(C)(C)c1cnn(C)c1 82816212 573209403 /nfs/dbraw/zinc/20/94/03/573209403.db2.gz CROQYBSVRDFELH-UHFFFAOYSA-N 0 0 180.251 1.677 10 0 ADAERN OCc1ncoc1-c1ccoc1 85942292 573209428 /nfs/dbraw/zinc/20/94/28/573209428.db2.gz NRFUGDBHXCDNKZ-UHFFFAOYSA-N 0 0 165.148 1.427 10 0 ADAERN CC[C@H]1CC(=O)NC[C@@H]1CC 238312385 573209431 /nfs/dbraw/zinc/20/94/31/573209431.db2.gz LMKGPCAVRVCMLQ-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN Nc1ccc(-c2ccc(N)s2)cn1 115676529 573209451 /nfs/dbraw/zinc/20/94/51/573209451.db2.gz MVAZQONVNDMHQD-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN C[C@H](O)C[C@@H](C)n1cccn1 82815316 573209478 /nfs/dbraw/zinc/20/94/78/573209478.db2.gz POLFWPCHODHFDF-SFYZADRCSA-N 0 0 154.213 1.215 10 0 ADAERN OCc1ncoc1[C@H]1CCCOC1 85942613 573211432 /nfs/dbraw/zinc/21/14/32/573211432.db2.gz KTDVESMEHTVPPR-ZETCQYMHSA-N 0 0 183.207 1.061 10 0 ADAERN C[C@@H](O)C[C@@H](C)c1cccnc1N 82812026 573211433 /nfs/dbraw/zinc/21/14/33/573211433.db2.gz PNUOJDLGFXOACE-HTQZYQBOSA-N 0 0 180.251 1.538 10 0 ADAERN Cc1ccn([C@H](C)C[C@@H](C)O)n1 82815384 573209499 /nfs/dbraw/zinc/20/94/99/573209499.db2.gz ORQBTCGNUBEWFG-RKDXNWHRSA-N 0 0 168.240 1.523 10 0 ADAERN C[C@H]1Nc2cc(O)ccc2N(C)C1=O 259375147 573211436 /nfs/dbraw/zinc/21/14/36/573211436.db2.gz VUGSYOBNPONVGI-ZCFIWIBFSA-N 0 0 192.218 1.169 10 0 ADAERN C1=NCc2ccoc2N1 104708606 573209525 /nfs/dbraw/zinc/20/95/25/573209525.db2.gz IDYOBKFCPNCCOL-UHFFFAOYSA-N 0 0 122.127 1.043 10 0 ADAERN C[C@@H](O)C[C@@H](C)C1CC1 82811668 573209530 /nfs/dbraw/zinc/20/95/30/573209530.db2.gz OLKLDSFJQOSNLU-RNFRBKRXSA-N 0 0 128.215 1.803 10 0 ADAERN CCc1ncc2c(N)cccc2n1 115686356 573210214 /nfs/dbraw/zinc/21/02/14/573210214.db2.gz YIKPODASAWFWOV-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN OCc1ncoc1-c1ccco1 85942468 573209560 /nfs/dbraw/zinc/20/95/60/573209560.db2.gz XPMKKONWPHILGV-UHFFFAOYSA-N 0 0 165.148 1.427 10 0 ADAERN C[C@@H](O)C[C@@H](C)c1nccn1C 82811629 573209578 /nfs/dbraw/zinc/20/95/78/573209578.db2.gz MPZVYGMXSIKOCY-HTQZYQBOSA-N 0 0 168.240 1.295 10 0 ADAERN CCON(C)C(=O)/C=C(/C)C1CC1 308309205 573209608 /nfs/dbraw/zinc/20/96/08/573209608.db2.gz QBBYCVBHOMTVKL-FPLPWBNLSA-N 0 0 183.251 1.753 10 0 ADAERN CC[C@H]1COC(c2ccc[nH]2)=N1 238313531 573209609 /nfs/dbraw/zinc/20/96/09/573209609.db2.gz SQNWOIWNKBRBRT-ZETCQYMHSA-N 0 0 164.208 1.570 10 0 ADAERN C[C@@H](C[C@@H](C)O)C1CC1 82811667 573209612 /nfs/dbraw/zinc/20/96/12/573209612.db2.gz OLKLDSFJQOSNLU-NKWVEPMBSA-N 0 0 128.215 1.803 10 0 ADAERN O=C1CCC(O)=C1c1ccc(F)cc1 115726098 573209619 /nfs/dbraw/zinc/20/96/19/573209619.db2.gz SJGHVIQNVFDCHU-UHFFFAOYSA-N 0 0 192.189 1.841 10 0 ADAERN C[C@@H]1Nc2cc(O)ccc2N(C)C1=O 259375143 573209633 /nfs/dbraw/zinc/20/96/33/573209633.db2.gz VUGSYOBNPONVGI-LURJTMIESA-N 0 0 192.218 1.169 10 0 ADAERN Cc1ncnc(-n2cccn2)c1F 235963322 573209651 /nfs/dbraw/zinc/20/96/51/573209651.db2.gz PPYIHIGKIQMLDW-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN C[C@@H](O)CSc1cccc(N)c1 85927184 573209661 /nfs/dbraw/zinc/20/96/61/573209661.db2.gz GWNATEAURNSTDD-SSDOTTSWSA-N 0 0 183.276 1.742 10 0 ADAERN CN1CCCC[C@H]1c1cc(C=O)n[nH]1 259374945 573209677 /nfs/dbraw/zinc/20/96/77/573209677.db2.gz VSNXRARWYIZGFK-JTQLQIEISA-N 0 0 193.250 1.379 10 0 ADAERN Nc1cc(F)cc(-c2ncc[nH]2)c1F 222891655 573209691 /nfs/dbraw/zinc/20/96/91/573209691.db2.gz QDNLWEXWSFBZNC-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN Cc1cc(C)n([C@@H](C)C[C@H](C)O)n1 82815307 573211489 /nfs/dbraw/zinc/21/14/89/573211489.db2.gz KGZHYCAMYCEZOW-UWVGGRQHSA-N 0 0 182.267 1.832 10 0 ADAERN CCc1nc2noc(CC)c2c(=O)[nH]1 238313191 573209713 /nfs/dbraw/zinc/20/97/13/573209713.db2.gz DFEWLWPYIWVSJR-UHFFFAOYSA-N 0 0 193.206 1.036 10 0 ADAERN CC[C@@](C)(O)[C@@H](O)c1cccnc1C 715260378 573209717 /nfs/dbraw/zinc/20/97/17/573209717.db2.gz KOWWHFYTMQHSAK-WDEREUQCSA-N 0 0 195.262 1.584 10 0 ADAERN C[C@H](O)[C@@H](C)SC(F)F 235536956 573209720 /nfs/dbraw/zinc/20/97/20/573209720.db2.gz BMKHZFDJNXRJCT-IUYQGCFVSA-N 0 0 156.197 1.712 10 0 ADAERN OCc1[nH]ccc1Cl 104706366 573209721 /nfs/dbraw/zinc/20/97/21/573209721.db2.gz AEOOPWWIIYMIAC-UHFFFAOYSA-N 0 0 131.562 1.160 10 0 ADAERN CC[C@]1(O)CC[C@@H](C)C1=O 238312265 573209740 /nfs/dbraw/zinc/20/97/40/573209740.db2.gz PUXQKFHANVYAPX-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)CC(C)(C)c1cncnc1 82816203 573209754 /nfs/dbraw/zinc/20/97/54/573209754.db2.gz ACEBQPDJCFJXAK-UHFFFAOYSA-N 0 0 178.235 1.733 10 0 ADAERN O=C1C=C2CCC=C2CCN1 104707117 573209756 /nfs/dbraw/zinc/20/97/56/573209756.db2.gz VWLQRMHTFIMHNW-UHFFFAOYSA-N 0 0 149.193 1.153 10 0 ADAERN CC(=O)Nc1ccc(N(C)C)cc1N 238313480 573209760 /nfs/dbraw/zinc/20/97/60/573209760.db2.gz MTMJEKYHTPGXRK-UHFFFAOYSA-N 0 0 193.250 1.293 10 0 ADAERN Cc1cnn([C@@H](C)C[C@@H](C)O)c1 82815329 573209761 /nfs/dbraw/zinc/20/97/61/573209761.db2.gz DYMUDYORFRFDOI-DTWKUNHWSA-N 0 0 168.240 1.523 10 0 ADAERN CC[C@H](C)NC(=O)NOC(C)(C)C 308309179 573209780 /nfs/dbraw/zinc/20/97/80/573209780.db2.gz QCZAMZAEGJNUNA-ZETCQYMHSA-N 0 0 188.271 1.814 10 0 ADAERN Brc1cnns1 642814877 573209803 /nfs/dbraw/zinc/20/98/03/573209803.db2.gz JDMRZMSYLLOQRE-UHFFFAOYSA-N 0 0 165.015 1.059 10 0 ADAERN CC[C@H](C[C@H](C)C(=O)[O-])[NH+](C)C 259375536 573209804 /nfs/dbraw/zinc/20/98/04/573209804.db2.gz GJGMVRNWWSPDCO-JGVFFNPUSA-N 0 0 173.256 1.437 10 0 ADAERN CCc1c[nH]c(C(=O)OC)c1C 238307025 573211450 /nfs/dbraw/zinc/21/14/50/573211450.db2.gz YMLNPNNKVRYFOM-UHFFFAOYSA-N 0 0 167.208 1.672 10 0 ADAERN CC[C@H]1CNC(=O)CC(C)(C)C1 238312341 573209836 /nfs/dbraw/zinc/20/98/36/573209836.db2.gz YKFNBZBVCFFWPI-MRVPVSSYSA-N 0 0 169.268 1.949 10 0 ADAERN Cc1ncnc(N[C@H]2CC23CC3)c1F 715260031 573209838 /nfs/dbraw/zinc/20/98/38/573209838.db2.gz HIIJMIZJYFVBEQ-ZETCQYMHSA-N 0 0 193.225 1.889 10 0 ADAERN CCc1nc2nc(CO)ccc2o1 238312887 573209849 /nfs/dbraw/zinc/20/98/49/573209849.db2.gz OGQRMNHADFAIEC-UHFFFAOYSA-N 0 0 178.191 1.278 10 0 ADAERN CC[C@H](C)CN(C)c1nncn1C 308308624 573209854 /nfs/dbraw/zinc/20/98/54/573209854.db2.gz PTXWIYMFGWJUPD-QMMMGPOBSA-N 0 0 182.271 1.297 10 0 ADAERN Cc1nccn1[C@H](C)C[C@H](C)O 82815304 573209855 /nfs/dbraw/zinc/20/98/55/573209855.db2.gz NRPGATKBOIHTHZ-SFYZADRCSA-N 0 0 168.240 1.523 10 0 ADAERN CC/C=C\CCC(=O)NC 104709551 573209859 /nfs/dbraw/zinc/20/98/59/573209859.db2.gz XKMSNLNOJXTEAY-PLNGDYQASA-N 0 0 141.214 1.479 10 0 ADAERN CN(C)C(=O)[C@H]1CC(C)(C)[C@@]1(C)CO 238312219 573209867 /nfs/dbraw/zinc/20/98/67/573209867.db2.gz PFBHPBYCKXXFCN-KCJUWKMLSA-N 0 0 199.294 1.119 10 0 ADAERN CC[C@H](C)COc1cccc[n+]1[O-] 308309127 573209873 /nfs/dbraw/zinc/20/98/73/573209873.db2.gz QASNIJWCWKABDH-VIFPVBQESA-N 0 0 181.235 1.745 10 0 ADAERN Nc1nc([C@@H]2CCCCO2)co1 259603504 573209889 /nfs/dbraw/zinc/20/98/89/573209889.db2.gz DGPLBPLNZLJUSV-ZETCQYMHSA-N 0 0 168.196 1.498 10 0 ADAERN Cc1c(C2CC2)nc(C2CC2)[nH]c1=O 235961836 573209904 /nfs/dbraw/zinc/20/99/04/573209904.db2.gz OEPKENWZFZLDFA-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN C[C@@H](C[C@@H](C)O)n1cccn1 82815313 573209925 /nfs/dbraw/zinc/20/99/25/573209925.db2.gz POLFWPCHODHFDF-JGVFFNPUSA-N 0 0 154.213 1.215 10 0 ADAERN 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/nfs/dbraw/zinc/21/01/66/573210166.db2.gz HQQYUIBZOKSHTN-MRVPVSSYSA-N 0 0 181.235 1.000 10 0 ADAERN C[C@H]1CNc2cc(CO)ccc2O1 259373113 573210180 /nfs/dbraw/zinc/21/01/80/573210180.db2.gz VPNFIHWXWXYSAA-ZETCQYMHSA-N 0 0 179.219 1.372 10 0 ADAERN C[C@@H]1C[C@@H]1c1ocnc1CO 85942752 573210181 /nfs/dbraw/zinc/21/01/81/573210181.db2.gz XHKTVTKKACSEDJ-RITPCOANSA-N 0 0 153.181 1.290 10 0 ADAERN CCCO[C@@H](C)C[C@@H](C)O 82815558 573210185 /nfs/dbraw/zinc/21/01/85/573210185.db2.gz HOEFXDCWQJYPHF-SFYZADRCSA-N 0 0 146.230 1.572 10 0 ADAERN C[NH2+][C@H](C1CCC1)[C@H](C(=O)[O-])C(C)C 259376300 573210194 /nfs/dbraw/zinc/21/01/94/573210194.db2.gz VLTMXLLXPBMRIF-NXEZZACHSA-N 0 0 199.294 1.731 10 0 ADAERN Cc1ncc([C@H](O)[C@H]2CCOC2)s1 235961030 573210203 /nfs/dbraw/zinc/21/02/03/573210203.db2.gz ICQDOEWUYIYTEY-IONNQARKSA-N 0 0 199.275 1.521 10 0 ADAERN C[C@@H](C[C@@H](C)O)c1nccn1C 82811627 573210222 /nfs/dbraw/zinc/21/02/22/573210222.db2.gz MPZVYGMXSIKOCY-JGVFFNPUSA-N 0 0 168.240 1.295 10 0 ADAERN CC[C@@H](C)CN(C)c1nncn1C 308308623 573210234 /nfs/dbraw/zinc/21/02/34/573210234.db2.gz PTXWIYMFGWJUPD-MRVPVSSYSA-N 0 0 182.271 1.297 10 0 ADAERN C[C@H](O)C[C@H](C)n1cccn1 82815315 573210268 /nfs/dbraw/zinc/21/02/68/573210268.db2.gz POLFWPCHODHFDF-YUMQZZPRSA-N 0 0 154.213 1.215 10 0 ADAERN C[C@@H](C[C@@H](C)O)c1cncnc1 82812245 573210274 /nfs/dbraw/zinc/21/02/74/573210274.db2.gz YWZOCSMJXRECNY-JGVFFNPUSA-N 0 0 166.224 1.351 10 0 ADAERN COc1c(O)cccc1[C@@H](C)O 257972734 573210312 /nfs/dbraw/zinc/21/03/12/573210312.db2.gz IOELQYIESITHEH-ZCFIWIBFSA-N 0 0 168.192 1.454 10 0 ADAERN C[C@H](Nc1ccc(F)nc1)C(C)(C)O 235535110 573210316 /nfs/dbraw/zinc/21/03/16/573210316.db2.gz CTVSWGKCVFVVLB-ZETCQYMHSA-N 0 0 198.241 1.792 10 0 ADAERN CC(=O)Cc1cc(F)c(F)cc1C=O 257972791 573210854 /nfs/dbraw/zinc/21/08/54/573210854.db2.gz CYMMRWYJUBJMDC-UHFFFAOYSA-N 0 0 198.168 1.909 10 0 ADAERN C[C@H](O)C[C@@H](C)n1ccnc1 82815300 573210353 /nfs/dbraw/zinc/21/03/53/573210353.db2.gz KEEVZAPORRRNOV-SFYZADRCSA-N 0 0 154.213 1.215 10 0 ADAERN CCc1cc([C@@H]([NH3+])C(=O)[O-])ccc1F 257971031 573210359 /nfs/dbraw/zinc/21/03/59/573210359.db2.gz CVBWDHPBUVCPCR-SECBINFHSA-N 0 0 197.209 1.473 10 0 ADAERN C[C@@H]1C[C@H]1c1ocnc1CO 85942761 573210362 /nfs/dbraw/zinc/21/03/62/573210362.db2.gz XHKTVTKKACSEDJ-PHDIDXHHSA-N 0 0 153.181 1.290 10 0 ADAERN C/C=C/CCNC(=O)N[C@@H]1C[C@@H]1C 308309181 573210365 /nfs/dbraw/zinc/21/03/65/573210365.db2.gz QCZRRUWWANLIMK-DXMIZCBPSA-N 0 0 182.267 1.660 10 0 ADAERN Cc1occc1-c1ocnc1CO 85942589 573210369 /nfs/dbraw/zinc/21/03/69/573210369.db2.gz GETNQLBFPAHYDF-UHFFFAOYSA-N 0 0 179.175 1.735 10 0 ADAERN OCCc1cc2c(cc1F)CCC2 257971390 573210371 /nfs/dbraw/zinc/21/03/71/573210371.db2.gz IIDNCFBFVLLJOZ-UHFFFAOYSA-N 0 0 180.222 1.849 10 0 ADAERN CC[C@@H]([NH+](C)C)C(C)(C)C(=O)[O-] 259373038 573210384 /nfs/dbraw/zinc/21/03/84/573210384.db2.gz GGSAWTFCHPGQDX-SSDOTTSWSA-N 0 0 173.256 1.437 10 0 ADAERN CCC(C)(C)c1ocnc1CO 85942554 573210386 /nfs/dbraw/zinc/21/03/86/573210386.db2.gz 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573210562 /nfs/dbraw/zinc/21/05/62/573210562.db2.gz RKHJMGGTXPKLCS-WPRPVWTQSA-N 0 0 178.235 1.479 10 0 ADAERN CC(C)ONC[C@]1(C)C[C@H]1C 714650238 573210571 /nfs/dbraw/zinc/21/05/71/573210571.db2.gz BAKMECMOHKHINW-BDAKNGLRSA-N 0 0 157.257 1.962 10 0 ADAERN CC[C@@H](C)c1ocnc1CO 85942486 573210586 /nfs/dbraw/zinc/21/05/86/573210586.db2.gz CNQDCXBKVNFGEZ-ZCFIWIBFSA-N 0 0 155.197 1.680 10 0 ADAERN OCc1ncoc1C1CCOCC1 85942102 573210592 /nfs/dbraw/zinc/21/05/92/573210592.db2.gz PAHZNPGCXSQPBE-UHFFFAOYSA-N 0 0 183.207 1.061 10 0 ADAERN CC(C)[C@@H](C)c1ocnc1CO 85942475 573210601 /nfs/dbraw/zinc/21/06/01/573210601.db2.gz HNNCFKUOFDEIJC-SSDOTTSWSA-N 0 0 169.224 1.926 10 0 ADAERN O[C@H](CC1CC1)[C@H]1CCCCO1 123849443 573210611 /nfs/dbraw/zinc/21/06/11/573210611.db2.gz WZENCANFJADPFP-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H](O)c1cc(F)c(F)cc1C=O 257971115 573210641 /nfs/dbraw/zinc/21/06/41/573210641.db2.gz CWSUGZDFXXASMO-RXMQYKEDSA-N 0 0 186.157 1.831 10 0 ADAERN CSCCNOC1CCCC1 129083464 573210655 /nfs/dbraw/zinc/21/06/55/573210655.db2.gz OHWWAKRKLCWFFR-UHFFFAOYSA-N 0 0 175.297 1.813 10 0 ADAERN CC[C@]1(C)OCCC1=O 238307274 573210664 /nfs/dbraw/zinc/21/06/64/573210664.db2.gz VZHPDLWVGKPLKE-ZETCQYMHSA-N 0 0 128.171 1.145 10 0 ADAERN CO[C@@H](C)Cc1ncc(C(C)=O)s1 129045770 573210670 /nfs/dbraw/zinc/21/06/70/573210670.db2.gz QCRZSEXGSNDVST-LURJTMIESA-N 0 0 199.275 1.923 10 0 ADAERN CC[C@H]([NH3+])c1cc(O)ccc1C(=O)[O-] 238313975 573210673 /nfs/dbraw/zinc/21/06/73/573210673.db2.gz YRSUUWZXIOPBNQ-VIFPVBQESA-N 0 0 195.218 1.500 10 0 ADAERN Cc1ocnc1CNC1CC1 85941410 573210676 /nfs/dbraw/zinc/21/06/76/573210676.db2.gz MWAHMZOUTOKQCH-UHFFFAOYSA-N 0 0 152.197 1.235 10 0 ADAERN NOCc1ccc(C2CSC2)cc1 257972788 573210683 /nfs/dbraw/zinc/21/06/83/573210683.db2.gz CYCSJYFBVFQNLN-UHFFFAOYSA-N 0 0 195.287 1.907 10 0 ADAERN O=C1C=CCc2cc(F)ccc2N1 115708887 573210706 /nfs/dbraw/zinc/21/07/06/573210706.db2.gz ZMGLSCQGLMQEBX-UHFFFAOYSA-N 0 0 177.178 1.877 10 0 ADAERN Cc1ccc(N)c(SCC(N)=O)c1 85930783 573210707 /nfs/dbraw/zinc/21/07/07/573210707.db2.gz GRIBSCZNMUUZHC-UHFFFAOYSA-N 0 0 196.275 1.155 10 0 ADAERN C[C@H](O)C[C@H](C)[C@@H]1CCOC1 82811622 573210716 /nfs/dbraw/zinc/21/07/16/573210716.db2.gz RTOZRZWWPMJNAG-XHNCKOQMSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)(C)Cc1ocnc1CO 85942124 573210729 /nfs/dbraw/zinc/21/07/29/573210729.db2.gz OWIAQICIVJAFFB-UHFFFAOYSA-N 0 0 169.224 1.756 10 0 ADAERN Cc1c(CNO)cc2c(c1C)OCO2 257971064 573210749 /nfs/dbraw/zinc/21/07/49/573210749.db2.gz CVUBRVUNGCKLMX-UHFFFAOYSA-N 0 0 195.218 1.511 10 0 ADAERN Cc1nccc(-c2nc(O)c(C)[nH]2)n1 235976985 573210762 /nfs/dbraw/zinc/21/07/62/573210762.db2.gz LFXGXKRXJISJFA-UHFFFAOYSA-N 0 0 190.206 1.189 10 0 ADAERN CN[C@@]1(C(F)F)CC[C@@H]1OC 642878297 573210780 /nfs/dbraw/zinc/21/07/80/573210780.db2.gz DLMKJTYXKBSMFE-FSPLSTOPSA-N 0 0 165.183 1.019 10 0 ADAERN CCSc1nc(C)c(C)c(N)n1 238307377 573210782 /nfs/dbraw/zinc/21/07/82/573210782.db2.gz MCKBVXYPAAEZHB-UHFFFAOYSA-N 0 0 183.280 1.788 10 0 ADAERN CC[C@H](C)[C@H](O)[C@H]1CO[C@@H](C)C1 123841776 573210818 /nfs/dbraw/zinc/21/08/18/573210818.db2.gz QFDIPWWNGYKPAT-QEYWKRMJSA-N 0 0 172.268 1.818 10 0 ADAERN C[C@@H](C[C@@H](C)O)C1CCOCC1 82811602 573210959 /nfs/dbraw/zinc/21/09/59/573210959.db2.gz QRBYUFZVDUAQMU-DTWKUNHWSA-N 0 0 172.268 1.820 10 0 ADAERN CC1=C(NC=O)CCCC1 104717195 573210963 /nfs/dbraw/zinc/21/09/63/573210963.db2.gz HCKDBLGAYAXSFM-UHFFFAOYSA-N 0 0 139.198 1.580 10 0 ADAERN C[C@@H](O)Cc1ccc(CCCO)cc1 257971085 573210966 /nfs/dbraw/zinc/21/09/66/573210966.db2.gz CWBCJWDXCDTNDJ-SNVBAGLBSA-N 0 0 194.274 1.535 10 0 ADAERN NOCCc1cccc2c1CCS2 257970965 573210866 /nfs/dbraw/zinc/21/08/66/573210866.db2.gz CTDNRLYBRFNDGF-UHFFFAOYSA-N 0 0 195.287 1.768 10 0 ADAERN Cc1cc(C)n([C@H](C)C[C@H](C)O)n1 82815308 573210868 /nfs/dbraw/zinc/21/08/68/573210868.db2.gz KGZHYCAMYCEZOW-ZJUUUORDSA-N 0 0 182.267 1.832 10 0 ADAERN CCSc1cnc(N)nc1 238307005 573210878 /nfs/dbraw/zinc/21/08/78/573210878.db2.gz CXDAPRCYUQYNCC-UHFFFAOYSA-N 0 0 155.226 1.171 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/nfs/dbraw/zinc/21/10/72/573211072.db2.gz OKUKCRVSXYVLJU-LURJTMIESA-N 0 0 164.141 1.634 10 0 ADAERN Cc1ccc2c(n1)N(C)CC[C@H]2O 238306754 573211092 /nfs/dbraw/zinc/21/10/92/573211092.db2.gz ZDATXDGUVCFMRP-SECBINFHSA-N 0 0 178.235 1.263 10 0 ADAERN NOCCc1c(F)ccc2c1CCO2 257972837 573211095 /nfs/dbraw/zinc/21/10/95/573211095.db2.gz DAKNGKRBSIQRHR-UHFFFAOYSA-N 0 0 197.209 1.193 10 0 ADAERN CC(C)(C)CCNC=S 104710102 573211119 /nfs/dbraw/zinc/21/11/19/573211119.db2.gz FJAMDIBOSZADRD-UHFFFAOYSA-N 0 0 145.271 1.969 10 0 ADAERN CCC[N@@H+]1CCC[C@@H](C(=O)[O-])C1(C)C 259376445 573211462 /nfs/dbraw/zinc/21/14/62/573211462.db2.gz KYOXFVONQCDNEA-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN O=C1N[C@H](Cc2cccc(F)c2)CO1 258485329 573211126 /nfs/dbraw/zinc/21/11/26/573211126.db2.gz QSSRKBBKYMEJOE-SECBINFHSA-N 0 0 195.193 1.477 10 0 ADAERN Cc1ncn([C@@H](C)C[C@@H](C)O)c1C 82815371 573211130 /nfs/dbraw/zinc/21/11/30/573211130.db2.gz MZGVXZKVLGFAJH-JGVFFNPUSA-N 0 0 182.267 1.832 10 0 ADAERN CC(=O)Nc1cccc(N)c1N(C)C 238307407 573211131 /nfs/dbraw/zinc/21/11/31/573211131.db2.gz OQKPFQROVDTWCH-UHFFFAOYSA-N 0 0 193.250 1.293 10 0 ADAERN CCC[C@@H](CSC)C(=O)OC 257971834 573211138 /nfs/dbraw/zinc/21/11/38/573211138.db2.gz BWUXWJITROCSKH-ZETCQYMHSA-N 0 0 176.281 1.939 10 0 ADAERN Cc1cc(SCC(N)=O)ccc1N 85931482 573211173 /nfs/dbraw/zinc/21/11/73/573211173.db2.gz LOYKBVQPYOLMLU-UHFFFAOYSA-N 0 0 196.275 1.155 10 0 ADAERN NOCCc1cccc(CCF)c1 257972779 573211176 /nfs/dbraw/zinc/21/11/76/573211176.db2.gz CXXJQTVSDQORJI-UHFFFAOYSA-N 0 0 183.226 1.631 10 0 ADAERN Cc1ncn([C@H](C)C[C@@H](C)O)c1C 82815372 573211183 /nfs/dbraw/zinc/21/11/83/573211183.db2.gz MZGVXZKVLGFAJH-HTQZYQBOSA-N 0 0 182.267 1.832 10 0 ADAERN [O-]c1cnn(C2CCSCC2)c1 257971266 573211192 /nfs/dbraw/zinc/21/11/92/573211192.db2.gz NXCACTFEDJISGE-UHFFFAOYSA-N 0 0 184.264 1.657 10 0 ADAERN CC(C)[C@H](C)c1ocnc1CO 85942479 573211194 /nfs/dbraw/zinc/21/11/94/573211194.db2.gz HNNCFKUOFDEIJC-ZETCQYMHSA-N 0 0 169.224 1.926 10 0 ADAERN CCCO[C@H](C)C[C@@H](C)O 82815559 573211222 /nfs/dbraw/zinc/21/12/22/573211222.db2.gz HOEFXDCWQJYPHF-HTQZYQBOSA-N 0 0 146.230 1.572 10 0 ADAERN NOCc1ccc2cnncc2c1 257972725 573211239 /nfs/dbraw/zinc/21/12/39/573211239.db2.gz INTKKKWYLHEMHU-UHFFFAOYSA-N 0 0 175.191 1.020 10 0 ADAERN [NH3+][C@@H]1C[C@H]2CCCC[C@]2(C(=O)[O-])C1 257971916 573211248 /nfs/dbraw/zinc/21/12/48/573211248.db2.gz YRLRDRFOOATAKE-MRTMQBJTSA-N 0 0 183.251 1.369 10 0 ADAERN OC[C@@H]1CCC2(CCOCC2)C1 257972643 573211259 /nfs/dbraw/zinc/21/12/59/573211259.db2.gz IMHHFMMSZOYUPS-SECBINFHSA-N 0 0 170.252 1.576 10 0 ADAERN C[C@H]1C=CNC(Cl)=N1 104713504 573211268 /nfs/dbraw/zinc/21/12/68/573211268.db2.gz JIJSEJIJJISWFU-BYPYZUCNSA-N 0 0 130.578 1.087 10 0 ADAERN S=C1N=NC(c2ncccn2)S1 73824527 573211324 /nfs/dbraw/zinc/21/13/24/573211324.db2.gz WMTRMHAWFHABII-UHFFFAOYSA-N 0 0 196.260 1.284 10 0 ADAERN ONCc1cccc2cnncc12 257972680 573211277 /nfs/dbraw/zinc/21/12/77/573211277.db2.gz IMUCTNFIHHONDH-UHFFFAOYSA-N 0 0 175.191 1.109 10 0 ADAERN C[NH2+][C@@H](C1CCC1)[C@@H](C(=O)[O-])C(C)C 259376305 573211281 /nfs/dbraw/zinc/21/12/81/573211281.db2.gz VLTMXLLXPBMRIF-UWVGGRQHSA-N 0 0 199.294 1.731 10 0 ADAERN C[C@H](O)C[C@@H](C)c1cccnc1N 82812028 573211290 /nfs/dbraw/zinc/21/12/90/573211290.db2.gz PNUOJDLGFXOACE-SFYZADRCSA-N 0 0 180.251 1.538 10 0 ADAERN CCOCc1noc([C@@H](C)OC)n1 308308269 573211313 /nfs/dbraw/zinc/21/13/13/573211313.db2.gz PHHYGOGBWRPUKL-ZCFIWIBFSA-N 0 0 186.211 1.314 10 0 ADAERN C[C@@H](O)C[C@@H](C)c1cccnc1 82811779 573211317 /nfs/dbraw/zinc/21/13/17/573211317.db2.gz JEKTYQHXKWYSGO-RKDXNWHRSA-N 0 0 165.236 1.956 10 0 ADAERN Cc1noc(NCC[C@@H]2CCCO2)n1 235964462 573211389 /nfs/dbraw/zinc/21/13/89/573211389.db2.gz RQMSVAZAGXDCEW-QMMMGPOBSA-N 0 0 197.238 1.359 10 0 ADAERN Cc1c(Cl)c[nH]c1C=O 104711698 573211409 /nfs/dbraw/zinc/21/14/09/573211409.db2.gz MKUGMOGQEGVZBB-UHFFFAOYSA-N 0 0 143.573 1.789 10 0 ADAERN C[C@@H](O)CC(C)(C)c1cnn(C)c1 82817034 573213367 /nfs/dbraw/zinc/21/33/67/573213367.db2.gz 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/nfs/dbraw/zinc/21/33/75/573213375.db2.gz CSYJUGGEZRYBNB-UHFFFAOYSA-N 0 0 197.209 1.371 10 0 ADAERN COc1c(N)ccc2c(C)nn(C)c12 259376692 573213377 /nfs/dbraw/zinc/21/33/77/573213377.db2.gz JRUKIWZGOCMOTC-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN CC[C@H]1CCO[C@@H]1COC(C)=O 238306836 573213378 /nfs/dbraw/zinc/21/33/78/573213378.db2.gz KWTCJBWDZQQFAT-DTWKUNHWSA-N 0 0 172.224 1.365 10 0 ADAERN CN(CNN)c1ccc(Cl)cc1 259036488 573213379 /nfs/dbraw/zinc/21/33/79/573213379.db2.gz IQSCMKBAHXGAOU-UHFFFAOYSA-N 0 0 185.658 1.197 10 0 ADAERN CC(C)(O)c1nc2cc(F)ccc2[nH]1 82821794 573213388 /nfs/dbraw/zinc/21/33/88/573213388.db2.gz HNQHIAZNGKEGPD-UHFFFAOYSA-N 0 0 194.209 1.929 10 0 ADAERN CC(C)ONC[C@]1(C)C[C@@H]1C 714650245 573213400 /nfs/dbraw/zinc/21/34/00/573213400.db2.gz BAKMECMOHKHINW-IUCAKERBSA-N 0 0 157.257 1.962 10 0 ADAERN COc1cc(CO)c(OC)c(N)c1C 257972727 573213404 /nfs/dbraw/zinc/21/34/04/573213404.db2.gz INYJSTFDPLWOSF-UHFFFAOYSA-N 0 0 197.234 1.087 10 0 ADAERN CC[C@]1(C)OC(=O)c2c1cc[nH]c2=O 238307050 573213408 /nfs/dbraw/zinc/21/34/08/573213408.db2.gz MVKSXMMFULVACS-JTQLQIEISA-N 0 0 193.202 1.171 10 0 ADAERN CCONCc1oc(CC)nc1C 308308271 573213411 /nfs/dbraw/zinc/21/34/11/573213411.db2.gz PHIAGWAQTUCKCG-UHFFFAOYSA-N 0 0 184.239 1.587 10 0 ADAERN CNN1Cc2c(Cl)cccc2C1=O 238306858 573213417 /nfs/dbraw/zinc/21/34/17/573213417.db2.gz HEJAOISRVCJDAR-UHFFFAOYSA-N 0 0 196.637 1.430 10 0 ADAERN COc1ccc(O)cc1[C@H](C)O 257972698 573213434 /nfs/dbraw/zinc/21/34/34/573213434.db2.gz INJPSRYJDBHJHI-LURJTMIESA-N 0 0 168.192 1.454 10 0 ADAERN Clc1ccc([C@@H]2CNOC2)cc1 257971906 573213445 /nfs/dbraw/zinc/21/34/45/573213445.db2.gz YRCVPUNLDYICPH-MRVPVSSYSA-N 0 0 183.638 1.958 10 0 ADAERN CCC(=O)C1CCN(C(C)=O)CC1 145980923 573213456 /nfs/dbraw/zinc/21/34/56/573213456.db2.gz ADGUSSCGEFXAOM-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN COc1nn2cc(C)sc2c1N 257972749 573213462 /nfs/dbraw/zinc/21/34/62/573213462.db2.gz IPGOOSREHTXNIX-UHFFFAOYSA-N 0 0 183.236 1.295 10 0 ADAERN CCc1nc(-c2cnccn2)c[nH]1 238307240 573213500 /nfs/dbraw/zinc/21/35/00/573213500.db2.gz DJPCRKOWKOPJLF-UHFFFAOYSA-N 0 0 174.207 1.429 10 0 ADAERN CC[S@@](=O)[C@@H]1CCCC(=O)C1 82819744 573213550 /nfs/dbraw/zinc/21/35/50/573213550.db2.gz JCHLGAMNXPHOAR-KCJUWKMLSA-N 0 0 174.265 1.267 10 0 ADAERN Cc1nc(N)c2cc(F)c(F)cc2n1 235971570 573213566 /nfs/dbraw/zinc/21/35/66/573213566.db2.gz OSBBKNCRNAKCHS-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN CNN1Cc2cccc(Cl)c2C1=O 238307053 573213569 /nfs/dbraw/zinc/21/35/69/573213569.db2.gz CSLLLAGGGGCMEI-UHFFFAOYSA-N 0 0 196.637 1.430 10 0 ADAERN CNC1=NOCc2ccccc21 238313702 573213590 /nfs/dbraw/zinc/21/35/90/573213590.db2.gz BKITZRSRYGSILT-UHFFFAOYSA-N 0 0 162.192 1.098 10 0 ADAERN c1cc(NCC2CC2)n[nH]1 104710798 573213602 /nfs/dbraw/zinc/21/36/02/573213602.db2.gz GQSQMCSGOPFQQN-UHFFFAOYSA-N 0 0 137.186 1.232 10 0 ADAERN CC[C@@H](C)N(C)C(=O)c1cnoc1 308309198 573213614 /nfs/dbraw/zinc/21/36/14/573213614.db2.gz QDGWQPCXEWDQPF-SSDOTTSWSA-N 0 0 182.223 1.545 10 0 ADAERN 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/nfs/dbraw/zinc/21/39/08/573213908.db2.gz BAKMECMOHKHINW-RKDXNWHRSA-N 0 0 157.257 1.962 10 0 ADAERN NOCc1ccc2scnc2c1 257972633 573213909 /nfs/dbraw/zinc/21/39/09/573213909.db2.gz ILYHGCWWSPPQMD-UHFFFAOYSA-N 0 0 180.232 1.687 10 0 ADAERN CC(=O)NC1C[C@@H](C)C[C@@H](C)C1 82828906 573214150 /nfs/dbraw/zinc/21/41/50/573214150.db2.gz SFOGZTOGLKVNOY-JWHQNHQBSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@@H](O)CC(C)(C)c1cccnc1N 82817177 573213949 /nfs/dbraw/zinc/21/39/49/573213949.db2.gz GPIFCZMPNGDURJ-MRVPVSSYSA-N 0 0 194.278 1.712 10 0 ADAERN CC(=O)CNC(=O)N1CCCCCC1 85964000 573213956 /nfs/dbraw/zinc/21/39/56/573213956.db2.gz NWCWWKHXMAWZFC-UHFFFAOYSA-N 0 0 198.266 1.161 10 0 ADAERN C/C=C(C)/C=C/C(=O)N[C@H](C)CO 308309130 573213981 /nfs/dbraw/zinc/21/39/81/573213981.db2.gz QATFJZGDYBMPAU-XPZUVFMBSA-N 0 0 183.251 1.006 10 0 ADAERN Nc1cc(C2CCCC2)c(=O)[nH]n1 258586858 573213994 /nfs/dbraw/zinc/21/39/94/573213994.db2.gz MVFODQWWROZDGD-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN O=C1NCCCC=C1Cl 104715391 573214000 /nfs/dbraw/zinc/21/40/00/573214000.db2.gz ZJLWQCADXGLQKV-UHFFFAOYSA-N 0 0 145.589 1.019 10 0 ADAERN CN(C)C(=O)Nc1ccc(CO)cc1 85956690 573214007 /nfs/dbraw/zinc/21/40/07/573214007.db2.gz SQGDFPGYTXGPPL-UHFFFAOYSA-N 0 0 194.234 1.272 10 0 ADAERN O=C1CC[C@H](Sc2cnccn2)C1 82819890 573214012 /nfs/dbraw/zinc/21/40/12/573214012.db2.gz GSQRBXFMKHOFJF-QMMMGPOBSA-N 0 0 194.259 1.690 10 0 ADAERN CC(C)(C)[S@@](=O)[C@H]1CCC(=O)C1 82821606 573214023 /nfs/dbraw/zinc/21/40/23/573214023.db2.gz VJCXXSFSWVGLBB-QPUJVOFHSA-N 0 0 188.292 1.655 10 0 ADAERN CC[C@]1(C)OC(=S)N[C@H]1C 238307091 573214024 /nfs/dbraw/zinc/21/40/24/573214024.db2.gz QZMNOVPJJVOYQF-FSPLSTOPSA-N 0 0 159.254 1.448 10 0 ADAERN CCCOc1ccc(CNO)cc1 132119856 573214194 /nfs/dbraw/zinc/21/41/94/573214194.db2.gz WHUBALVEFVWHCU-UHFFFAOYSA-N 0 0 181.235 1.954 10 0 ADAERN Cc1[nH]c(C=O)c(C)c1C(=O)N(C)C 238313791 573214195 /nfs/dbraw/zinc/21/41/95/573214195.db2.gz PIFAWPJIUNKXIO-UHFFFAOYSA-N 0 0 194.234 1.146 10 0 ADAERN 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WDCMTSMILNNIDD-UHFFFAOYSA-N 0 0 174.635 1.017 10 0 ADAERN CC(=O)CNC(=O)N1CCC(C)CC1 85966997 573214753 /nfs/dbraw/zinc/21/47/53/573214753.db2.gz QHFPTHVNIXMXJZ-UHFFFAOYSA-N 0 0 198.266 1.017 10 0 ADAERN C[C@H]1CNc2ccc(CON)cc21 257974212 573214757 /nfs/dbraw/zinc/21/47/57/573214757.db2.gz GQXIBYZMZRQSSR-ZETCQYMHSA-N 0 0 178.235 1.606 10 0 ADAERN CONCc1ccc(C2(O)CC2)cc1 259379245 573214758 /nfs/dbraw/zinc/21/47/58/573214758.db2.gz JWHRGRLTHJATKS-UHFFFAOYSA-N 0 0 193.246 1.319 10 0 ADAERN CCn1nc(N)c2c1CSCC2 257973149 573214763 /nfs/dbraw/zinc/21/47/63/573214763.db2.gz YVJMVWAMLJLAGO-UHFFFAOYSA-N 0 0 183.280 1.275 10 0 ADAERN CC[C@H](O)C(=O)N[C@H](C)[C@H](C)CC 308316731 573214772 /nfs/dbraw/zinc/21/47/72/573214772.db2.gz VYDVNJJYINVIHN-HLTSFMKQSA-N 0 0 187.283 1.308 10 0 ADAERN Cc1ccc([C@](C)(O)CCCO)cc1 259380339 573214777 /nfs/dbraw/zinc/21/47/77/573214777.db2.gz REYADXRUVMIRLN-GFCCVEGCSA-N 0 0 194.274 1.975 10 0 ADAERN CCO[C@]1(CO)CCC=C(C)O1 238306751 573214780 /nfs/dbraw/zinc/21/47/80/573214780.db2.gz KOUKRFPYJFZQTG-SECBINFHSA-N 0 0 172.224 1.426 10 0 ADAERN OC1([C@H]2C[C@@H]2C(F)(F)F)CC1 258592603 573223791 /nfs/dbraw/zinc/22/37/91/573223791.db2.gz UEFMZHTUTHQOAG-WHFBIAKZSA-N 0 0 166.142 1.710 10 0 ADAERN Cc1noc(-c2cc(N)cc(N)c2)n1 235968873 573215904 /nfs/dbraw/zinc/21/59/04/573215904.db2.gz ODQIXMNVZFQLDF-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN Cc1cc(NC(=O)N(C)C)ccc1N 85955999 573215922 /nfs/dbraw/zinc/21/59/22/573215922.db2.gz LYCPWPPEFDZYTE-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN C[C@H](O)CC(C)(C)[C@@H]1CCOC1 82817082 573216060 /nfs/dbraw/zinc/21/60/60/573216060.db2.gz YGSWNMSJVSFKSZ-DTWKUNHWSA-N 0 0 172.268 1.820 10 0 ADAERN CCc1nc2c(C(C)=O)nccc2o1 238308623 573216482 /nfs/dbraw/zinc/21/64/82/573216482.db2.gz CPYOSVOOQHHVNO-UHFFFAOYSA-N 0 0 190.202 1.988 10 0 ADAERN COC(CCC[C@@H](C)O)OC 78327611 573215664 /nfs/dbraw/zinc/21/56/64/573215664.db2.gz UCBSYKAFNIPUSC-SSDOTTSWSA-N 0 0 162.229 1.156 10 0 ADAERN C[C@@]1(CO)CCc2cc(F)ccc2N1 257974189 573215670 /nfs/dbraw/zinc/21/56/70/573215670.db2.gz AGYLCWYTPQYYLK-NSHDSACASA-N 0 0 195.237 1.935 10 0 ADAERN C[C@H](O)CC(C)(C)c1nccn1C 82817086 573215728 /nfs/dbraw/zinc/21/57/28/573215728.db2.gz YZLASPNOLFJJFT-QMMMGPOBSA-N 0 0 182.267 1.469 10 0 ADAERN CCC[S@](=O)[C@@H]1CCC(=O)C1 82821609 573215765 /nfs/dbraw/zinc/21/57/65/573215765.db2.gz FTBRCQKDKSMUJB-LDYMZIIASA-N 0 0 174.265 1.267 10 0 ADAERN CCOCCN[C@H](C)c1ccon1 308316400 573215769 /nfs/dbraw/zinc/21/57/69/573215769.db2.gz XFNDGTVTILSCNU-MRVPVSSYSA-N 0 0 184.239 1.362 10 0 ADAERN O=C1CC[C@H](Sc2ccncn2)C1 82819896 573215774 /nfs/dbraw/zinc/21/57/74/573215774.db2.gz CLYVKUVPWNJZGN-QMMMGPOBSA-N 0 0 194.259 1.690 10 0 ADAERN Cc1nnc(S[C@H]2CCC(=O)C2)o1 82819864 573215787 /nfs/dbraw/zinc/21/57/87/573215787.db2.gz RHPKDIPLHNUHFS-ZETCQYMHSA-N 0 0 198.247 1.592 10 0 ADAERN CONCc1cccc(C[C@H](C)O)c1 259379279 573215841 /nfs/dbraw/zinc/21/58/41/573215841.db2.gz JXAGYWCMIRIGHD-VIFPVBQESA-N 0 0 195.262 1.261 10 0 ADAERN 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0 193.246 1.102 10 0 ADAERN Cc1ccc2c(c1)[C@@H]([NH3+])[C@@H](C(=O)[O-])C2 259603723 573215995 /nfs/dbraw/zinc/21/59/95/573215995.db2.gz DHBWCVTVEBCHKV-VHSXEESVSA-N 0 0 191.230 1.252 10 0 ADAERN CCOc1cccc(CCON)c1 257974470 573215996 /nfs/dbraw/zinc/21/59/96/573215996.db2.gz IUGUDHBVANSEJR-UHFFFAOYSA-N 0 0 181.235 1.518 10 0 ADAERN CS/C=C/C(=O)Oc1cccnc1 308316967 573216028 /nfs/dbraw/zinc/21/60/28/573216028.db2.gz XPVXAFXNYFRJNY-GQCTYLIASA-N 0 0 195.243 1.864 10 0 ADAERN Cc1cc(C=O)nc(N(C)C)c1 238308634 573216031 /nfs/dbraw/zinc/21/60/31/573216031.db2.gz ZFGDAADXYNTUFA-UHFFFAOYSA-N 0 0 164.208 1.269 10 0 ADAERN O=C1C[C@H](CO)C2(CCCCCC2)N1 257761730 573216040 /nfs/dbraw/zinc/21/60/40/573216040.db2.gz OZPBJWAUIZWYGU-SECBINFHSA-N 0 0 197.278 1.208 10 0 ADAERN C[N@@H+]1CCC[C@H](C/C=C/C(=O)[O-])C1 259380289 573216047 /nfs/dbraw/zinc/21/60/47/573216047.db2.gz RDNVSQKGTCMHPZ-BBJBCUTESA-N 0 0 183.251 1.359 10 0 ADAERN CC[C@H]1CC[C@@H](O)OC1 238308342 573216063 /nfs/dbraw/zinc/21/60/63/573216063.db2.gz INYGRIDYFYSHGY-BQBZGAKWSA-N 0 0 130.187 1.141 10 0 ADAERN CC[C@H]1C(=O)N[C@H]1C(C)C 104723117 573216084 /nfs/dbraw/zinc/21/60/84/573216084.db2.gz JFBVRHZDLJOMRA-RQJHMYQMSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@@H](C)COC(=O)c1ccon1 308316470 573216114 /nfs/dbraw/zinc/21/61/14/573216114.db2.gz VVMBUEWAIRNWSG-SSDOTTSWSA-N 0 0 183.207 1.878 10 0 ADAERN Cc1cc(F)c([C@H]([NH3+])C(=O)[O-])s1 257767110 573216121 /nfs/dbraw/zinc/21/61/21/573216121.db2.gz APMQYBUAGMHRBL-YFKPBYRVSA-N 0 0 189.211 1.280 10 0 ADAERN C[C@H](O)CC(C)(C)c1cnn(C)c1 82817033 573216153 /nfs/dbraw/zinc/21/61/53/573216153.db2.gz MUQNGSLMUMYRKX-QMMMGPOBSA-N 0 0 182.267 1.469 10 0 ADAERN COC(=O)CNC1C[C@@H](C)C[C@@H](C)C1 82829363 573216175 /nfs/dbraw/zinc/21/61/75/573216175.db2.gz QSVXRGGHYGLIFJ-ULKQDVFKSA-N 0 0 199.294 1.574 10 0 ADAERN CC[C@H](C)[S@](=O)[C@@H]1CCC(=O)C1 82821599 573216191 /nfs/dbraw/zinc/21/61/91/573216191.db2.gz CUHIWJXUGWIALI-LPBBDHJYSA-N 0 0 188.292 1.655 10 0 ADAERN CN(C)Cc1nc2c(F)cccc2[nH]1 82821866 573216200 /nfs/dbraw/zinc/21/62/00/573216200.db2.gz DNUXWKXYBFHJTD-UHFFFAOYSA-N 0 0 193.225 1.764 10 0 ADAERN CN(C)C(=O)Oc1cc(N)cc(O)c1 238308910 573216223 /nfs/dbraw/zinc/21/62/23/573216223.db2.gz SDVJPXAECVGELK-UHFFFAOYSA-N 0 0 196.206 1.035 10 0 ADAERN C[NH2+][C@H](CO)c1ccccc1[S-] 238308876 573216246 /nfs/dbraw/zinc/21/62/46/573216246.db2.gz YPZAJNGBEAWYLK-MRVPVSSYSA-N 0 0 183.276 1.228 10 0 ADAERN CC(=O)[C@H](C)NC(=O)N1CCCCC1 85962418 573216253 /nfs/dbraw/zinc/21/62/53/573216253.db2.gz LUYNBENWFYKNRD-QMMMGPOBSA-N 0 0 198.266 1.159 10 0 ADAERN CN(C)C(=O)N(C)c1ccccc1N 85956001 573216263 /nfs/dbraw/zinc/21/62/63/573216263.db2.gz LOQJBKGTFKYAQS-UHFFFAOYSA-N 0 0 193.250 1.387 10 0 ADAERN CSc1nc(N)ncc1CF 257973201 573216267 /nfs/dbraw/zinc/21/62/67/573216267.db2.gz YVXJWLXBOQCNOG-UHFFFAOYSA-N 0 0 173.216 1.250 10 0 ADAERN CCC[S@](=O)[C@H]1CCCC(=O)C1 82819755 573216270 /nfs/dbraw/zinc/21/62/70/573216270.db2.gz PTBAKKMHMXVFHZ-JOYOIKCWSA-N 0 0 188.292 1.657 10 0 ADAERN CCC[NH2+]Cc1ccc(N)cn1 129062160 573216277 /nfs/dbraw/zinc/21/62/77/573216277.db2.gz VRTYGRINLUVXDV-UHFFFAOYSA-N 0 0 165.240 1.163 10 0 ADAERN C[C@H](O)CC(C)(C)c1cnccn1 82817248 573216278 /nfs/dbraw/zinc/21/62/78/573216278.db2.gz VEUISOULVXIMMC-QMMMGPOBSA-N 0 0 180.251 1.525 10 0 ADAERN COc1cccc([C@@H]2CCNO2)c1 257974518 573216283 /nfs/dbraw/zinc/21/62/83/573216283.db2.gz YWWMJSZLSUTGHH-JTQLQIEISA-N 0 0 179.219 1.661 10 0 ADAERN C[C@H]1C[C@H]1CC(=O)NCC1CCC1 308316461 573216297 /nfs/dbraw/zinc/21/62/97/573216297.db2.gz VVCBCTYFUMJZAG-WPRPVWTQSA-N 0 0 181.279 1.949 10 0 ADAERN CC(=O)CNC(=O)N1CCC[C@@H](C)C1 85967001 573216322 /nfs/dbraw/zinc/21/63/22/573216322.db2.gz KSSHLMCACIZBLC-MRVPVSSYSA-N 0 0 198.266 1.017 10 0 ADAERN Cc1noc(NCC[C@@H]2CCOC2)n1 235964484 573216329 /nfs/dbraw/zinc/21/63/29/573216329.db2.gz CZPVMWXKDKGGAR-MRVPVSSYSA-N 0 0 197.238 1.217 10 0 ADAERN CC[C@@]1(C)C(=O)CCC[C@H]1O 238308609 573216661 /nfs/dbraw/zinc/21/66/61/573216661.db2.gz YPKSWLLHERSLNQ-VXNVDRBHSA-N 0 0 156.225 1.517 10 0 ADAERN CC[C@]1(CO)Cc2c(F)cccc2N1 257974070 573216337 /nfs/dbraw/zinc/21/63/37/573216337.db2.gz AFGRTTGIGUILLS-LLVKDONJSA-N 0 0 195.237 1.935 10 0 ADAERN OCC[C@@H](F)c1ccccc1O 258586773 573216348 /nfs/dbraw/zinc/21/63/48/573216348.db2.gz STMJHYOPHFHXHI-MRVPVSSYSA-N 0 0 170.183 1.785 10 0 ADAERN CC(C)[S@@](=O)[C@@H]1CCC(=O)C1 82821656 573216667 /nfs/dbraw/zinc/21/66/67/573216667.db2.gz JEGXPYPPRYMIEC-KCJUWKMLSA-N 0 0 174.265 1.265 10 0 ADAERN CC[C@@]1(C)C(=O)CCC[C@@H]1O 238308269 573216374 /nfs/dbraw/zinc/21/63/74/573216374.db2.gz YPKSWLLHERSLNQ-IONNQARKSA-N 0 0 156.225 1.517 10 0 ADAERN CNc1cc(C2CCOCC2)n(C)n1 259376946 573216380 /nfs/dbraw/zinc/21/63/80/573216380.db2.gz XFLYODHTIXEEFN-UHFFFAOYSA-N 0 0 195.266 1.356 10 0 ADAERN Cc1cc(N)ccc1NC(=O)N(C)C 85955894 573216414 /nfs/dbraw/zinc/21/64/14/573216414.db2.gz KNODAAXSWRBRHB-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H]1CCCCO1 123858678 573216427 /nfs/dbraw/zinc/21/64/27/573216427.db2.gz MCCNHWVJTNXGKF-GUBZILKMSA-N 0 0 172.268 1.963 10 0 ADAERN O=C1CC[C@H](Sc2nc[nH]n2)C1 82819838 573216445 /nfs/dbraw/zinc/21/64/45/573216445.db2.gz BIOAOZMOAYEETI-LURJTMIESA-N 0 0 183.236 1.018 10 0 ADAERN CCn1cnc([C@H](NN)[C@@H]2C[C@H]2C)c1 308517651 573216465 /nfs/dbraw/zinc/21/64/65/573216465.db2.gz FZSGFXANLSRLQU-NQMVMOMDSA-N 0 0 194.282 1.063 10 0 ADAERN CCC[S@](=O)[C@@H]1CCCC(=O)C1 82819753 573216514 /nfs/dbraw/zinc/21/65/14/573216514.db2.gz PTBAKKMHMXVFHZ-BXKDBHETSA-N 0 0 188.292 1.657 10 0 ADAERN CC(C)C[S@](=O)[C@H]1CCC(=O)C1 82821635 573216519 /nfs/dbraw/zinc/21/65/19/573216519.db2.gz VVBRHOQOIYQCOE-JOYOIKCWSA-N 0 0 188.292 1.513 10 0 ADAERN CN(C)C(=O)Nc1cc(C2CC2)no1 238308231 573216524 /nfs/dbraw/zinc/21/65/24/573216524.db2.gz LSCATBKQHXKIOG-UHFFFAOYSA-N 0 0 195.222 1.646 10 0 ADAERN CCc1nc2cc(NN)ccc2n1C 258586142 573216527 /nfs/dbraw/zinc/21/65/27/573216527.db2.gz LSQBYYSWWFWTHO-UHFFFAOYSA-N 0 0 190.250 1.421 10 0 ADAERN CCn1ncc2cc(C)c(=O)[nH]c21 238308625 573216531 /nfs/dbraw/zinc/21/65/31/573216531.db2.gz KKVSVFUPUSXGHJ-UHFFFAOYSA-N 0 0 177.207 1.053 10 0 ADAERN Cc1noc(CN[C@H]2C=CCCC2)n1 235977012 573216541 /nfs/dbraw/zinc/21/65/41/573216541.db2.gz LFXMYNZQTNAMEK-VIFPVBQESA-N 0 0 193.250 1.576 10 0 ADAERN CN(C)c1cc(=S)[nH]cn1 238307806 573216564 /nfs/dbraw/zinc/21/65/64/573216564.db2.gz CEFLCPCPLVTQLS-UHFFFAOYSA-N 0 0 155.226 1.205 10 0 ADAERN COC(=O)[C@H](NC1CC1)[C@@H](C)C(C)C 308517525 573216670 /nfs/dbraw/zinc/21/66/70/573216670.db2.gz OOTWDGQCYMWFBZ-WCBMZHEXSA-N 0 0 199.294 1.572 10 0 ADAERN C/C=C/CSc1nnnn1C1CC1 308317048 573216572 /nfs/dbraw/zinc/21/65/72/573216572.db2.gz WDORUWJZGSRDMV-NSCUHMNNSA-N 0 0 196.279 1.676 10 0 ADAERN CCCc1csc(CC(N)=O)n1 259380079 573216585 /nfs/dbraw/zinc/21/65/85/573216585.db2.gz UBMMXYUAROPSFG-UHFFFAOYSA-N 0 0 184.264 1.123 10 0 ADAERN COC(=O)[C@H]1CCCC[C@H]1C(C)=O 219386284 573216596 /nfs/dbraw/zinc/21/65/96/573216596.db2.gz PEBAHNKFOKUNDF-IUCAKERBSA-N 0 0 184.235 1.555 10 0 ADAERN C[C@@H]1OC[C@@H](O)[C@@H]1CCCC1CC1 405951970 573216606 /nfs/dbraw/zinc/21/66/06/573216606.db2.gz GWOBYXWMRDGBOV-JMJZKYOTSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1noc(NCCc2ccco2)n1 235964607 573216613 /nfs/dbraw/zinc/21/66/13/573216613.db2.gz FSZKZOQDDSQXGC-UHFFFAOYSA-N 0 0 193.206 1.626 10 0 ADAERN Nc1cc(-c2cnoc2N)ccc1O 259379280 573216615 /nfs/dbraw/zinc/21/66/15/573216615.db2.gz JXAXCEQFLVYMBM-UHFFFAOYSA-N 0 0 191.190 1.212 10 0 ADAERN Cc1noc(NC[C@@H]2CCCOC2)n1 235964905 573216635 /nfs/dbraw/zinc/21/66/35/573216635.db2.gz AAXOKMWCNITSRO-QMMMGPOBSA-N 0 0 197.238 1.217 10 0 ADAERN CCn1cnc([C@H](NN)[C@H]2C[C@H]2C)c1 308517650 573216642 /nfs/dbraw/zinc/21/66/42/573216642.db2.gz FZSGFXANLSRLQU-KHQFGBGNSA-N 0 0 194.282 1.063 10 0 ADAERN CNc1nc(Cc2cccnc2)co1 258586814 573216643 /nfs/dbraw/zinc/21/66/43/573216643.db2.gz MSTZCJXVXVRIKA-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN COC(=O)[C@@H](F)[C@H]1CCCCO1 257974513 573217527 /nfs/dbraw/zinc/21/75/27/573217527.db2.gz YWTLGKJFSWSPCD-RQJHMYQMSA-N 0 0 176.187 1.067 10 0 ADAERN CCC(C)(C)CNC(=O)[C@H]1CCO1 308319685 573217533 /nfs/dbraw/zinc/21/75/33/573217533.db2.gz XUZODTKIGJWRJK-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN [NH3+]C1(CCC2(C(=O)[O-])CC2)CC1 258588837 573217565 /nfs/dbraw/zinc/21/75/65/573217565.db2.gz TVDSKMBYACHXJC-UHFFFAOYSA-N 0 0 169.224 1.123 10 0 ADAERN CC[C@@](C)(CNC(=O)OC)[C@@H](C)O 308316820 573217601 /nfs/dbraw/zinc/21/76/01/573217601.db2.gz WAYQOXBYJVDXCW-APPZFPTMSA-N 0 0 189.255 1.140 10 0 ADAERN Cc1cccc(=O)c(N(C)C)c1 238308786 573217611 /nfs/dbraw/zinc/21/76/11/573217611.db2.gz ADSGVWKIGPKIBR-UHFFFAOYSA-N 0 0 163.220 1.421 10 0 ADAERN Cc1cc(N)cc2oc(=O)n(C)c12 115748632 573217614 /nfs/dbraw/zinc/21/76/14/573217614.db2.gz XNHBYNYWPSWEPB-UHFFFAOYSA-N 0 0 178.191 1.022 10 0 ADAERN CC[C@@H](C)N(C)C(=O)C(C)(C)CO 308316409 573217642 /nfs/dbraw/zinc/21/76/42/573217642.db2.gz VRVCIRQKJIFETA-MRVPVSSYSA-N 0 0 187.283 1.262 10 0 ADAERN C[C@@H]1CC(NC(N)=S)C[C@H](C)C1 82835262 573217644 /nfs/dbraw/zinc/21/76/44/573217644.db2.gz FJOJPHAGCBDCME-DHBOJHSNSA-N 0 0 186.324 1.644 10 0 ADAERN CC[C@H](O)C[C@H]1CC(C)=NO1 238308825 573217645 /nfs/dbraw/zinc/21/76/45/573217645.db2.gz OOKYKPMFXBSICN-JGVFFNPUSA-N 0 0 157.213 1.312 10 0 ADAERN C=C/C(C)=C\c1ncc[nH]1 104719144 573217646 /nfs/dbraw/zinc/21/76/46/573217646.db2.gz YGQQFFJKKUUSEA-SREVYHEPSA-N 0 0 134.182 1.999 10 0 ADAERN CC(C)C1=C(C(=O)[O-])C[N@H+](C)CC1 257973052 573217647 /nfs/dbraw/zinc/21/76/47/573217647.db2.gz YUAKNLRHSSNUNM-UHFFFAOYSA-N 0 0 183.251 1.359 10 0 ADAERN C[C@@]1(C2CC2)CCNC(=O)O1 258588860 573217648 /nfs/dbraw/zinc/21/76/48/573217648.db2.gz TWTSZZAFOGVAKD-QMMMGPOBSA-N 0 0 155.197 1.285 10 0 ADAERN CCSc1nc(N)cc(OC)n1 238307824 573217659 /nfs/dbraw/zinc/21/76/59/573217659.db2.gz VTOVIORQQFTGSV-UHFFFAOYSA-N 0 0 185.252 1.179 10 0 ADAERN COC(=O)[C@H](F)[C@H]1CCCCO1 257974510 573217670 /nfs/dbraw/zinc/21/76/70/573217670.db2.gz YWTLGKJFSWSPCD-RNFRBKRXSA-N 0 0 176.187 1.067 10 0 ADAERN CC[C@H](C)CC(=O)CCO 238308850 573217677 /nfs/dbraw/zinc/21/76/77/573217677.db2.gz IXYLIRXIKUDZAL-ZETCQYMHSA-N 0 0 144.214 1.374 10 0 ADAERN CN(/C=C/CO)c1ccccc1 238308718 573217715 /nfs/dbraw/zinc/21/77/15/573217715.db2.gz NWIQTHZJAAWGQV-VMPITWQZSA-N 0 0 163.220 1.629 10 0 ADAERN CC[C@]1(C)O[C@@](C)(CC)C1=O 238307650 573217726 /nfs/dbraw/zinc/21/77/26/573217726.db2.gz KBFVRSABRKPLTG-IUCAKERBSA-N 0 0 156.225 1.923 10 0 ADAERN COC(=O)C1=CC[C@H](F)CC1 258588855 573217978 /nfs/dbraw/zinc/21/79/78/573217978.db2.gz TVXKRWLJSGEDRT-ZETCQYMHSA-N 0 0 158.172 1.608 10 0 ADAERN O=Cc1c[nH]c(Cc2ccncc2)c1 82321962 573217748 /nfs/dbraw/zinc/21/77/48/573217748.db2.gz FZDDPIGFFXUNTJ-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN Cc1cnc(CN[C@H]2CC23CC3)nc1 715259073 573217754 /nfs/dbraw/zinc/21/77/54/573217754.db2.gz ATDNUDKXMXCMTK-VIFPVBQESA-N 0 0 189.262 1.427 10 0 ADAERN CC[C@H](C)N(C)C(=O)C(C)(C)CO 308316410 573217772 /nfs/dbraw/zinc/21/77/72/573217772.db2.gz VRVCIRQKJIFETA-QMMMGPOBSA-N 0 0 187.283 1.262 10 0 ADAERN CCn1cnc([C@H](NN)[C@H]2C[C@@H]2C)c1 308517652 573217773 /nfs/dbraw/zinc/21/77/73/573217773.db2.gz FZSGFXANLSRLQU-OYNCUSHFSA-N 0 0 194.282 1.063 10 0 ADAERN CCN1CCNc2c(N)cccc21 259377662 573217776 /nfs/dbraw/zinc/21/77/76/573217776.db2.gz VZJKTLNJJAKJJD-UHFFFAOYSA-N 0 0 177.251 1.521 10 0 ADAERN CC[C@@H]1C(=O)NC=C1C 104719121 573217790 /nfs/dbraw/zinc/21/77/90/573217790.db2.gz KYSSAXHYDHUBDT-LURJTMIESA-N 0 0 125.171 1.046 10 0 ADAERN CC[C@H](C)/C(C)=C/CO 238308079 573217981 /nfs/dbraw/zinc/21/79/81/573217981.db2.gz UYEFSBUXUVGHEQ-QAZRXNLGSA-N 0 0 128.215 1.971 10 0 ADAERN CCCc1cc(C=O)c[nH]1 82321948 573217800 /nfs/dbraw/zinc/21/78/00/573217800.db2.gz BRXYQDSRNFFJOJ-UHFFFAOYSA-N 0 0 137.182 1.780 10 0 ADAERN CC(C)(C)[C@H]1CCOC(=O)N1 258588712 573217806 /nfs/dbraw/zinc/21/78/06/573217806.db2.gz SYGNGCSMSIOWFY-ZCFIWIBFSA-N 0 0 157.213 1.531 10 0 ADAERN CCc1c(C)sc2nc(N)nn12 259377040 573217821 /nfs/dbraw/zinc/21/78/21/573217821.db2.gz XHJRKRNMXSNBHO-UHFFFAOYSA-N 0 0 182.252 1.244 10 0 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O[C@H]1CCC[C@H](c2nccnc2F)C1 115806963 573221437 /nfs/dbraw/zinc/22/14/37/573221437.db2.gz CEHASAOMFLHOAO-YUMQZZPRSA-N 0 0 196.225 1.634 10 0 ADAERN Cc1cc(C(=O)CN)c(C=O)cc1F 257975094 573223782 /nfs/dbraw/zinc/22/37/82/573223782.db2.gz DHQSVUSWTNIFPY-UHFFFAOYSA-N 0 0 195.193 1.088 10 0 ADAERN COC(=O)C1(O)C[C@H](C)C[C@@H](C)C1 82831937 573221450 /nfs/dbraw/zinc/22/14/50/573221450.db2.gz SBIURSDZAPCMTK-HTQZYQBOSA-N 0 0 186.251 1.347 10 0 ADAERN Cc1cc(=S)[nH]cc1N 86003665 573221454 /nfs/dbraw/zinc/22/14/54/573221454.db2.gz HNUVWDWABFTESM-UHFFFAOYSA-N 0 0 140.211 1.635 10 0 ADAERN CSCc1ccnc(NCCO)c1 308318901 573221456 /nfs/dbraw/zinc/22/14/56/573221456.db2.gz YYVQHIWSFXCKEN-UHFFFAOYSA-N 0 0 198.291 1.349 10 0 ADAERN C[C@@H]1CC(NC#N)C[C@@H](C)C1 82835135 573221486 /nfs/dbraw/zinc/22/14/86/573221486.db2.gz IYKMBTUBCGKEDU-YUMQZZPRSA-N 0 0 152.241 1.882 10 0 ADAERN CC(C)CO[C@@H]1C[C@H](NO)C1(C)C 132132767 573221491 /nfs/dbraw/zinc/22/14/91/573221491.db2.gz DBLIKWYNQSFYKG-DTWKUNHWSA-N 0 0 187.283 1.805 10 0 ADAERN COC(=O)CNC1(C)CCCCCC1 308519220 573221496 /nfs/dbraw/zinc/22/14/96/573221496.db2.gz OAUDSXKJEVBYNK-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN C[NH2+][C@@H](C)[P@](=O)([O-])c1ccccc1 238320902 573221528 /nfs/dbraw/zinc/22/15/28/573221528.db2.gz BMCRMUNFJVPSRA-MRVPVSSYSA-N 0 0 199.190 1.148 10 0 ADAERN CCC(C)(CC)NC(=O)C1COC1 308317424 573221529 /nfs/dbraw/zinc/22/15/29/573221529.db2.gz WKKYTZZJKFBBLL-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN CC[C@H]([NH3+])c1c(N)ccnc1OC 238309186 573221538 /nfs/dbraw/zinc/22/15/38/573221538.db2.gz STYAVXMAEUXOSK-LURJTMIESA-N 0 0 181.239 1.082 10 0 ADAERN C[C@H]1C[C@@H](C)Cc2nc(CO)[nH]c21 82831923 573221542 /nfs/dbraw/zinc/22/15/42/573221542.db2.gz QLYSSAWMYSUBPD-RQJHMYQMSA-N 0 0 180.251 1.588 10 0 ADAERN CN1C(=O)NCC2=C1CCCC2 238320809 573223793 /nfs/dbraw/zinc/22/37/93/573223793.db2.gz LWQSGEULPMPLHM-UHFFFAOYSA-N 0 0 166.224 1.470 10 0 ADAERN CO[C@H]1C=C(CO)CC(C)(C)C1 224843954 573221636 /nfs/dbraw/zinc/22/16/36/573221636.db2.gz BPJYUOWNSNCRSH-VIFPVBQESA-N 0 0 170.252 1.740 10 0 ADAERN C[C@@H]1CC(OC(=O)[C@@H](C)N)C[C@@H](C)C1 82834760 573221671 /nfs/dbraw/zinc/22/16/71/573221671.db2.gz DWNRVCPNADWNAA-XHNCKOQMSA-N 0 0 199.294 1.702 10 0 ADAERN CCOC(=O)/C=C\CNn1cccc1 308317273 573221674 /nfs/dbraw/zinc/22/16/74/573221674.db2.gz BYBVJDIRLPGBAY-WAYWQWQTSA-N 0 0 194.234 1.151 10 0 ADAERN Cc1[nH]c(CO)nc1C(C)C 258595557 573221697 /nfs/dbraw/zinc/22/16/97/573221697.db2.gz ULAAIXWUYWTSCX-UHFFFAOYSA-N 0 0 154.213 1.334 10 0 ADAERN CN(CCCCO)c1ccccc1N 50015048 573221698 /nfs/dbraw/zinc/22/16/98/573221698.db2.gz OPHCHLKMKFQUEV-UHFFFAOYSA-N 0 0 194.278 1.478 10 0 ADAERN CC1(CC(=O)OCCO)CCCC1 308319004 573221717 /nfs/dbraw/zinc/22/17/17/573221717.db2.gz XKBRMOJBQPGZHU-UHFFFAOYSA-N 0 0 186.251 1.492 10 0 ADAERN NN[C@H](C1CC1)[C@H]1CC12CCOCC2 689935022 573221735 /nfs/dbraw/zinc/22/17/35/573221735.db2.gz PRHOGNRGUSFEDC-NXEZZACHSA-N 0 0 196.294 1.045 10 0 ADAERN NOCc1ccccc1-n1ccnc1 257975067 573221747 /nfs/dbraw/zinc/22/17/47/573221747.db2.gz DGUVDWKUFFUJHI-UHFFFAOYSA-N 0 0 189.218 1.263 10 0 ADAERN C[C@H]1C[C@H](C)CC2(CC(=O)NC2=O)C1 82830520 573221777 /nfs/dbraw/zinc/22/17/77/573221777.db2.gz BKIFLOAJXPPFSM-YUMQZZPRSA-N 0 0 195.262 1.475 10 0 ADAERN CCc1cc(=O)c(OC)co1 238309521 573221780 /nfs/dbraw/zinc/22/17/80/573221780.db2.gz RRKIVGAWFLQNJT-UHFFFAOYSA-N 0 0 154.165 1.211 10 0 ADAERN Cc1cnc(CN[C@@H]2CC23CC3)nc1 715259071 573221781 /nfs/dbraw/zinc/22/17/81/573221781.db2.gz ATDNUDKXMXCMTK-SECBINFHSA-N 0 0 189.262 1.427 10 0 ADAERN CNOC[C@@H]1CCCS1 258592719 573221782 /nfs/dbraw/zinc/22/17/82/573221782.db2.gz UGLYAVXFVZTBKT-LURJTMIESA-N 0 0 147.243 1.033 10 0 ADAERN O=c1ccc(Nc2ccccc2)n[nH]1 115845340 573221802 /nfs/dbraw/zinc/22/18/02/573221802.db2.gz LKZKJUMPMLNXOJ-UHFFFAOYSA-N 0 0 187.202 1.514 10 0 ADAERN CCON(C)C(=O)CC1CCCC1 308319186 573221805 /nfs/dbraw/zinc/22/18/05/573221805.db2.gz ZIEJKSKQSGCVMA-UHFFFAOYSA-N 0 0 185.267 1.977 10 0 ADAERN C[C@H]1CC(NC#N)C[C@H](C)C1 82835136 573221811 /nfs/dbraw/zinc/22/18/11/573221811.db2.gz IYKMBTUBCGKEDU-HTQZYQBOSA-N 0 0 152.241 1.882 10 0 ADAERN O=Cc1nnc(-c2ccccn2)s1 115832711 573221832 /nfs/dbraw/zinc/22/18/32/573221832.db2.gz FLVLGVOLLGJMBQ-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN C[C@@H]1CC(OCC(N)=O)C[C@@H](C)C1 82834530 573221834 /nfs/dbraw/zinc/22/18/34/573221834.db2.gz IKMZXYFKTFZLJB-YUMQZZPRSA-N 0 0 185.267 1.313 10 0 ADAERN O=C(CC1=NCCO1)C1CCC1 259384660 573221847 /nfs/dbraw/zinc/22/18/47/573221847.db2.gz XQVIDDPLBNMIQO-UHFFFAOYSA-N 0 0 167.208 1.174 10 0 ADAERN C[C@@H]([NH2+]C/C(Cl)=C/Cl)C(=O)[O-] 86000604 573221852 /nfs/dbraw/zinc/22/18/52/573221852.db2.gz ATVQZWHKRMOSCK-PLSQTASKSA-N 0 0 198.049 1.368 10 0 ADAERN C[C@H]1CO[C@H](c2ccc(Cl)o2)N1 258592803 573221861 /nfs/dbraw/zinc/22/18/61/573221861.db2.gz QKMQKFHMDKNKES-YLWLKBPMSA-N 0 0 187.626 1.940 10 0 ADAERN C[C@H]1CC(NC(N)=S)C[C@H](C)C1 82835264 573221873 /nfs/dbraw/zinc/22/18/73/573221873.db2.gz FJOJPHAGCBDCME-RNFRBKRXSA-N 0 0 186.324 1.644 10 0 ADAERN C[C@@H]1CC(NC(N)=S)C[C@@H](C)C1 82835263 573221882 /nfs/dbraw/zinc/22/18/82/573221882.db2.gz FJOJPHAGCBDCME-BQBZGAKWSA-N 0 0 186.324 1.644 10 0 ADAERN O=C1CCCOc2cc(F)ccc2N1 258487705 573221886 /nfs/dbraw/zinc/22/18/86/573221886.db2.gz ZEVWCCXJIZBNTN-UHFFFAOYSA-N 0 0 195.193 1.937 10 0 ADAERN C[C@H]1C[C@H](C)CC([NH3+])(C(=O)[O-])C1 82831173 573221907 /nfs/dbraw/zinc/22/19/07/573221907.db2.gz DIEAEQSZOILNRE-BQBZGAKWSA-N 0 0 171.240 1.225 10 0 ADAERN C/C=C/C(=O)OCc1ccncc1 308318334 573221942 /nfs/dbraw/zinc/22/19/42/573221942.db2.gz WZDSHUIAEPNWAT-NSCUHMNNSA-N 0 0 177.203 1.701 10 0 ADAERN NO[C@@H](CO)C1CCCCCC1 257974634 573221965 /nfs/dbraw/zinc/22/19/65/573221965.db2.gz YZPYIWXAJMHWST-VIFPVBQESA-N 0 0 173.256 1.208 10 0 ADAERN CCC(=O)OCC(=O)CCC(C)C 308318115 573221969 /nfs/dbraw/zinc/22/19/69/573221969.db2.gz WXRNYEPOSMUQEH-UHFFFAOYSA-N 0 0 186.251 1.945 10 0 ADAERN c1ncc(OC2CCCC2)cn1 258487666 573221973 /nfs/dbraw/zinc/22/19/73/573221973.db2.gz LNJWUZJTDKQIAK-UHFFFAOYSA-N 0 0 164.208 1.798 10 0 ADAERN COC(=O)C1(c2nccs2)CC1 259384286 573221983 /nfs/dbraw/zinc/22/19/83/573221983.db2.gz HBSZAQHKXMGHBU-UHFFFAOYSA-N 0 0 183.232 1.348 10 0 ADAERN CCc1cc(C)ccc1CON 238320818 573221984 /nfs/dbraw/zinc/22/19/84/573221984.db2.gz BIYJOSRKHKKEDQ-UHFFFAOYSA-N 0 0 165.236 1.948 10 0 ADAERN CC[C@H](C)NC(=O)C(=O)C(F)(F)F 308317117 573221987 /nfs/dbraw/zinc/22/19/87/573221987.db2.gz WFGZABRCQQZPFA-BYPYZUCNSA-N 0 0 197.156 1.033 10 0 ADAERN COc1cc(CCO)c(C)c(C)c1O 257974843 573222003 /nfs/dbraw/zinc/22/20/03/573222003.db2.gz DDEROXLVPMCYBE-UHFFFAOYSA-N 0 0 196.246 1.552 10 0 ADAERN O=C([O-])[C@H](C[NH+]1CCCC1)C1CCC1 258487609 573222006 /nfs/dbraw/zinc/22/20/06/573222006.db2.gz ZCZXRNPTQNMUAI-SNVBAGLBSA-N 0 0 197.278 1.583 10 0 ADAERN CC[C@@H](NN)[C@@H]1CC12CCOCC2 689934831 573222010 /nfs/dbraw/zinc/22/20/10/573222010.db2.gz OMLGREWFKKMIFN-DTWKUNHWSA-N 0 0 184.283 1.045 10 0 ADAERN C/C=C(C)/C=C\C(=O)N1CC(C)C1 308319357 573222023 /nfs/dbraw/zinc/22/20/23/573222023.db2.gz XNHNGDDYAZXOLH-CXBDEZGUSA-N 0 0 179.263 1.987 10 0 ADAERN C[C@H]1CC(OCCO)C[C@H](C)C1 82834543 573222035 /nfs/dbraw/zinc/22/20/35/573222035.db2.gz HHIANKANWYKKIG-RKDXNWHRSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)N[C@H]1CCC=C(C)O1 238320859 573222036 /nfs/dbraw/zinc/22/20/36/573222036.db2.gz XUIZGQBLQJQOKO-SSDOTTSWSA-N 0 0 171.196 1.383 10 0 ADAERN Cc1cc(O[C@@H]2CCOC2)ncc1N 86003508 573222040 /nfs/dbraw/zinc/22/20/40/573222040.db2.gz DYUBWVHNIHUNMC-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN CONCc1cccc(C2COC2)c1 257974837 573222052 /nfs/dbraw/zinc/22/20/52/573222052.db2.gz DDDWBJHZWNPIQJ-UHFFFAOYSA-N 0 0 193.246 1.451 10 0 ADAERN OC[C@@H]1CCc2ccc(O)cc21 258592550 573222054 /nfs/dbraw/zinc/22/20/54/573222054.db2.gz UCUJPCXMPPTYQI-QMMMGPOBSA-N 0 0 164.204 1.414 10 0 ADAERN CCON(C)C(=O)CO[C@H](C)CC 308317308 573222056 /nfs/dbraw/zinc/22/20/56/573222056.db2.gz XXDOFTXYMWPOMI-MRVPVSSYSA-N 0 0 189.255 1.211 10 0 ADAERN CC[C@H]1C[C@@H](CC)C(=O)CC1=O 238320676 573222111 /nfs/dbraw/zinc/22/21/11/573222111.db2.gz RQSHLEAUNOMULM-OCAPTIKFSA-N 0 0 168.236 1.971 10 0 ADAERN CCC[C@@H]1NC(=O)O[C@@H]1C 104734851 573222130 /nfs/dbraw/zinc/22/21/30/573222130.db2.gz XCDAKNLPBGRUHO-RITPCOANSA-N 0 0 143.186 1.283 10 0 ADAERN C=C=CCCCNC(C)=O 104730298 573222135 /nfs/dbraw/zinc/22/21/35/573222135.db2.gz KIAYSZHSLOGVBF-UHFFFAOYSA-N 0 0 139.198 1.244 10 0 ADAERN CCc1cc(N)n(C2CC2)n1 238309269 573222159 /nfs/dbraw/zinc/22/21/59/573222159.db2.gz XXJVUSJTRJKSOJ-UHFFFAOYSA-N 0 0 151.213 1.363 10 0 ADAERN OC[C@@H]1Cc2c(Cl)cccc21 258595139 573222169 /nfs/dbraw/zinc/22/21/69/573222169.db2.gz UIPUAOXIZMZHJU-LURJTMIESA-N 0 0 168.623 1.972 10 0 ADAERN CCc1nc2c(N)nc(C)nc2s1 238309630 573222193 /nfs/dbraw/zinc/22/21/93/573222193.db2.gz WYYDVDURZJGFQB-UHFFFAOYSA-N 0 0 194.263 1.539 10 0 ADAERN CCC(=O)N[C@H](C)C[C@H]1CCCO1 308317808 573222255 /nfs/dbraw/zinc/22/22/55/573222255.db2.gz WSJAERRHZCAHHA-RKDXNWHRSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@@H]1C[C@@H](C)CC(C(=O)[O-])([NH+](C)C)C1 82831798 573222276 /nfs/dbraw/zinc/22/22/76/573222276.db2.gz YCCDHKZBRZCBHH-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1cnnc(N[C@H](C)C[C@H](C)O)c1 235549061 573222277 /nfs/dbraw/zinc/22/22/77/573222277.db2.gz KGWBIOFOEPXCHF-BDAKNGLRSA-N 0 0 195.266 1.356 10 0 ADAERN C[N@H+](Cc1ncno1)C[Si](C)(C)C 388687801 573222288 /nfs/dbraw/zinc/22/22/88/573222288.db2.gz KBYVZRCFRMZFMH-UHFFFAOYSA-N 0 0 199.330 1.379 10 0 ADAERN C[C@H]1CN[C@H](c2ccco2)OC1 258487796 573222341 /nfs/dbraw/zinc/22/23/41/573222341.db2.gz LOGHJXBXGNHOFR-CBAPKCEASA-N 0 0 167.208 1.534 10 0 ADAERN CC1(O)CN(C/C(Cl)=C/Cl)C1 86001470 573222374 /nfs/dbraw/zinc/22/23/74/573222374.db2.gz SLTSQLWUBGHBLJ-KXFIGUGUSA-N 0 0 196.077 1.372 10 0 ADAERN CNC1(C(=O)OC)C[C@@H](C)C[C@H](C)C1 82831216 573222356 /nfs/dbraw/zinc/22/23/56/573222356.db2.gz ZXHUVGOLYKEZAL-IUCAKERBSA-N 0 0 199.294 1.574 10 0 ADAERN CSCCNC(=O)[C@@H]1C=CCCC1 308317381 573222366 /nfs/dbraw/zinc/22/23/66/573222366.db2.gz YAWLJBVKAFQNHY-SECBINFHSA-N 0 0 199.319 1.822 10 0 ADAERN C[C@H]1C[C@@](C(=O)[O-])([NH+](C)C)CC[C@H]1C 82838982 573223785 /nfs/dbraw/zinc/22/37/85/573223785.db2.gz HBABPLFJTAYEAI-YWVKMMECSA-N 0 0 199.294 1.828 10 0 ADAERN COC(=O)N[C@@H]1CC=C(C)CC1 238320852 573224560 /nfs/dbraw/zinc/22/45/60/573224560.db2.gz GPQDIKLDTKOKDP-MRVPVSSYSA-N 0 0 169.224 1.841 10 0 ADAERN CNNc1c[nH]c2ccccc12 238309653 573223800 /nfs/dbraw/zinc/22/38/00/573223800.db2.gz HRKRFBDESRGIFH-UHFFFAOYSA-N 0 0 161.208 1.714 10 0 ADAERN Cc1noc2c(N)ccc(F)c12 259382108 573224581 /nfs/dbraw/zinc/22/45/81/573224581.db2.gz KCBQFYBSSPIRPP-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN CCO[P@@](C)(=O)CC=O 238309418 573223325 /nfs/dbraw/zinc/22/33/25/573223325.db2.gz IXFOEJVEMMJIOH-XNPJLODASA-N 0 0 150.114 1.960 10 0 ADAERN C[NH+]1CCC(CC2(C(=O)[O-])CC2)CC1 259036916 573223333 /nfs/dbraw/zinc/22/33/33/573223333.db2.gz CEJDXCUSXRCYLP-UHFFFAOYSA-N 0 0 197.278 1.583 10 0 ADAERN Nc1nc2ccc(F)cn2c1C1CC1 115848881 573223336 /nfs/dbraw/zinc/22/33/36/573223336.db2.gz YKNYFSONJLPHOK-UHFFFAOYSA-N 0 0 191.209 1.933 10 0 ADAERN OC[C@H]1CCc2ccc(O)cc21 258592549 573223361 /nfs/dbraw/zinc/22/33/61/573223361.db2.gz UCUJPCXMPPTYQI-MRVPVSSYSA-N 0 0 164.204 1.414 10 0 ADAERN CC(C)CO[C@H]1C[C@H](NO)C1(C)C 132132956 573223369 /nfs/dbraw/zinc/22/33/69/573223369.db2.gz DBLIKWYNQSFYKG-IUCAKERBSA-N 0 0 187.283 1.805 10 0 ADAERN CO[C@@H]1CCC[C@H]1C(C)=O 224843402 573223391 /nfs/dbraw/zinc/22/33/91/573223391.db2.gz GWCGGBJYQBCSLR-JGVFFNPUSA-N 0 0 142.198 1.391 10 0 ADAERN Nc1cc2cc[nH]c2o1 82835718 573223402 /nfs/dbraw/zinc/22/34/02/573223402.db2.gz MVILTCFQYCEJRQ-UHFFFAOYSA-N 0 0 122.127 1.343 10 0 ADAERN Cc1nn(C)c2ccc(CON)cc12 257974849 573223403 /nfs/dbraw/zinc/22/34/03/573223403.db2.gz DDGLRWLKIZGOTP-UHFFFAOYSA-N 0 0 191.234 1.272 10 0 ADAERN C[C@H]1CC[C@@](C(=O)[O-])([NH+](C)C)C[C@@H]1C 82838980 573223409 /nfs/dbraw/zinc/22/34/09/573223409.db2.gz HBABPLFJTAYEAI-ATZCPNFKSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1C[C@@H](OC(=O)CN)CC[C@H]1C 82840085 573223419 /nfs/dbraw/zinc/22/34/19/573223419.db2.gz ZPDAIGOECMQNJR-VGMNWLOBSA-N 0 0 185.267 1.313 10 0 ADAERN COc1ccc2c[nH]c(=O)n2c1 258594729 573223428 /nfs/dbraw/zinc/22/34/28/573223428.db2.gz UHNZPHFFWVSGCB-UHFFFAOYSA-N 0 0 164.164 1.049 10 0 ADAERN ClC1=CC=CNC1 104727291 573223447 /nfs/dbraw/zinc/22/34/47/573223447.db2.gz UHOFZUFSZUSFOI-UHFFFAOYSA-N 0 0 115.563 1.226 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccc(Cl)o2)N1 258592801 573223457 /nfs/dbraw/zinc/22/34/57/573223457.db2.gz QKMQKFHMDKNKES-XRGYYRRGSA-N 0 0 187.626 1.940 10 0 ADAERN C[C@H]1C[C@H](OC(=O)CN)CC[C@H]1C 82840087 573223477 /nfs/dbraw/zinc/22/34/77/573223477.db2.gz ZPDAIGOECMQNJR-HRDYMLBCSA-N 0 0 185.267 1.313 10 0 ADAERN NN[C@H](C1CC1)[C@@H]1CC12CCOCC2 689935024 573223482 /nfs/dbraw/zinc/22/34/82/573223482.db2.gz PRHOGNRGUSFEDC-VHSXEESVSA-N 0 0 196.294 1.045 10 0 ADAERN NOCCc1cc(O)c(F)cc1F 257974841 573223484 /nfs/dbraw/zinc/22/34/84/573223484.db2.gz DDEGLGGAOVSQAD-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN C[C@H](C[C@H]([NH3+])C1CCC1)C(=O)[O-] 259381683 573223514 /nfs/dbraw/zinc/22/35/14/573223514.db2.gz NGCAJTYEXFHUGI-SVRRBLITSA-N 0 0 171.240 1.225 10 0 ADAERN CN(CCCO)c1ccccc1N 50015047 573223521 /nfs/dbraw/zinc/22/35/21/573223521.db2.gz ATDILWQBEARROW-UHFFFAOYSA-N 0 0 180.251 1.087 10 0 ADAERN COCCc1cccc(C(=O)CN)c1 259382426 573223527 /nfs/dbraw/zinc/22/35/27/573223527.db2.gz IAZFQXJQEAXBCM-UHFFFAOYSA-N 0 0 193.246 1.017 10 0 ADAERN C[NH2+][C@@H](c1cccnc1)[C@@H](C)C(=O)[O-] 259380750 573223558 /nfs/dbraw/zinc/22/35/58/573223558.db2.gz LXROFAPKWFZPLX-VXNVDRBHSA-N 0 0 194.234 1.063 10 0 ADAERN CC[C@@H](C)NC(=O)C(=O)C(F)(F)F 308317119 573223559 /nfs/dbraw/zinc/22/35/59/573223559.db2.gz WFGZABRCQQZPFA-SCSAIBSYSA-N 0 0 197.156 1.033 10 0 ADAERN CSCCNC(=O)[C@H]1C=CCCC1 308317383 573223537 /nfs/dbraw/zinc/22/35/37/573223537.db2.gz YAWLJBVKAFQNHY-VIFPVBQESA-N 0 0 199.319 1.822 10 0 ADAERN C/C=C/CSCCCn1cncn1 308318337 573223543 /nfs/dbraw/zinc/22/35/43/573223543.db2.gz WZQPYQRWWYXINW-NSCUHMNNSA-N 0 0 197.307 1.978 10 0 ADAERN CC(=O)CCN(C)C(=O)[C@H]1C[C@H]1C 308318988 573223565 /nfs/dbraw/zinc/22/35/65/573223565.db2.gz XJEXHJROZSWOAN-APPZFPTMSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1SCCNC1=S 104733321 573223581 /nfs/dbraw/zinc/22/35/81/573223581.db2.gz LLDMSTDBOMJNJM-BYPYZUCNSA-N 0 0 147.268 1.039 10 0 ADAERN COC(=O)N[C@H](O)[C@]1(C)CC=CCC1 238320450 573223585 /nfs/dbraw/zinc/22/35/85/573223585.db2.gz IUKRKCJNJMQRGK-PSASIEDQSA-N 0 0 199.250 1.407 10 0 ADAERN C/C(=C/C[NH+]1C[C@@H](C)[C@H](C)C1)C(=O)[O-] 86010625 573223599 /nfs/dbraw/zinc/22/35/99/573223599.db2.gz ZAKMZCJDPLBASR-QPGUZKIZSA-N 0 0 197.278 1.605 10 0 ADAERN C/C=C\C(=O)OCc1ccncc1 308318333 573223632 /nfs/dbraw/zinc/22/36/32/573223632.db2.gz WZDSHUIAEPNWAT-IHWYPQMZSA-N 0 0 177.203 1.701 10 0 ADAERN C[C@H]1CO[C@@H](c2ccc(Cl)o2)N1 258592799 573223643 /nfs/dbraw/zinc/22/36/43/573223643.db2.gz QKMQKFHMDKNKES-XNCJUZBTSA-N 0 0 187.626 1.940 10 0 ADAERN C[C@@H]1CC[C@@H]1C(=O)c1ccnn1C 642880452 573223655 /nfs/dbraw/zinc/22/36/55/573223655.db2.gz SEYLZQCEWJLKPS-SFYZADRCSA-N 0 0 178.235 1.649 10 0 ADAERN NC1(c2nc(C3CC3)co2)CC1 258592578 573223844 /nfs/dbraw/zinc/22/38/44/573223844.db2.gz UDWGZSZTLJKEQD-UHFFFAOYSA-N 0 0 164.208 1.500 10 0 ADAERN COc1c(CON)ccc(C)c1F 257974985 573223681 /nfs/dbraw/zinc/22/36/81/573223681.db2.gz DFKFPFMTKIZSCO-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN CC1(COC(=O)COC(F)F)CC1 308319366 573223683 /nfs/dbraw/zinc/22/36/83/573223683.db2.gz XOKZFHRZCGBTHR-UHFFFAOYSA-N 0 0 194.177 1.569 10 0 ADAERN CCONC(=O)[C@H](C)C1=CCCC1 308317329 573223706 /nfs/dbraw/zinc/22/37/06/573223706.db2.gz XZFSCMBRIRAMGQ-MRVPVSSYSA-N 0 0 183.251 1.801 10 0 ADAERN OC[C@@H](F)[C@H]1CCCSC1 258595507 573223715 /nfs/dbraw/zinc/22/37/15/573223715.db2.gz UKPANUZRHXUYGZ-NKWVEPMBSA-N 0 0 164.245 1.460 10 0 ADAERN C[C@@H]1CN(c2ncc(N)cn2)C[C@@H]1C 86009502 573223718 /nfs/dbraw/zinc/22/37/18/573223718.db2.gz AHHSODFUYRHOCW-OCAPTIKFSA-N 0 0 192.266 1.151 10 0 ADAERN CC(=O)c1cc([C@H]2CCCN2C)on1 259380633 573223719 /nfs/dbraw/zinc/22/37/19/573223719.db2.gz WEEPPPKIWVXFOJ-SECBINFHSA-N 0 0 194.234 1.644 10 0 ADAERN C[C@@H]1CN(c2ncccc2N)C[C@H]1C 86009510 573223733 /nfs/dbraw/zinc/22/37/33/573223733.db2.gz BKAYZMXLDLFWOC-RKDXNWHRSA-N 0 0 191.278 1.756 10 0 ADAERN CSC[C@H](C)N(C)c1ncccn1 308317811 573223735 /nfs/dbraw/zinc/22/37/35/573223735.db2.gz YEEHUYGTOXZNFN-QMMMGPOBSA-N 0 0 197.307 1.664 10 0 ADAERN Cc1oc(=O)[nH]c1C(C)(C)C 258595495 573223750 /nfs/dbraw/zinc/22/37/50/573223750.db2.gz UKKHBHUCKYZJOF-UHFFFAOYSA-N 0 0 155.197 1.986 10 0 ADAERN COc1ccccc1[C@H]1CCNN1 257974636 573223762 /nfs/dbraw/zinc/22/37/62/573223762.db2.gz YZRVFMFEEZVNNK-SECBINFHSA-N 0 0 178.235 1.234 10 0 ADAERN CCC(=O)N[C@@H](C)C[C@@H]1CCCO1 308317806 573223767 /nfs/dbraw/zinc/22/37/67/573223767.db2.gz WSJAERRHZCAHHA-IUCAKERBSA-N 0 0 185.267 1.470 10 0 ADAERN O[C@@H]1CCC[C@@H](c2nccnc2F)C1 115806967 573224564 /nfs/dbraw/zinc/22/45/64/573224564.db2.gz CEHASAOMFLHOAO-HTQZYQBOSA-N 0 0 196.225 1.634 10 0 ADAERN CCON(C)C(=O)C1=CCCCC1 308319115 573224568 /nfs/dbraw/zinc/22/45/68/573224568.db2.gz ZEGYQHACCXGMTD-UHFFFAOYSA-N 0 0 183.251 1.897 10 0 ADAERN Cc1cc(=O)c2c(N)ccc(C)c2o1 115849308 573224551 /nfs/dbraw/zinc/22/45/51/573224551.db2.gz XEXDQKUWNZWHCI-UHFFFAOYSA-N 0 0 189.214 1.992 10 0 ADAERN CC[C@]1(C)C[C@@H]1C(=O)OCC(C)=O 308317135 573224400 /nfs/dbraw/zinc/22/44/00/573224400.db2.gz WGJXFZLVSPLRBN-PSASIEDQSA-N 0 0 184.235 1.555 10 0 ADAERN C[C@H]1N[C@@H](c2ccccc2)COC1=O 115834655 573224420 /nfs/dbraw/zinc/22/44/20/573224420.db2.gz DJJGNQPYNBPERZ-PSASIEDQSA-N 0 0 191.230 1.263 10 0 ADAERN OCCOc1cccc(CF)c1 259038206 573224428 /nfs/dbraw/zinc/22/44/28/573224428.db2.gz ABHBNSOANKMPLJ-UHFFFAOYSA-N 0 0 170.183 1.527 10 0 ADAERN CN1C(=O)NC(=S)C12CCCCC2 238320721 573224431 /nfs/dbraw/zinc/22/44/31/573224431.db2.gz CXSIEZSPSPPGQG-UHFFFAOYSA-N 0 0 198.291 1.672 10 0 ADAERN CC[C@H]1COc2cccnc2O1 238314006 573224438 /nfs/dbraw/zinc/22/44/38/573224438.db2.gz IEEHDJPUWCHBJQ-ZETCQYMHSA-N 0 0 165.192 1.631 10 0 ADAERN CC[C@H]([NH3+])c1c(N)cccc1C(=O)[O-] 238309153 573224450 /nfs/dbraw/zinc/22/44/50/573224450.db2.gz MYUNYXCQBSGKEM-ZETCQYMHSA-N 0 0 194.234 1.377 10 0 ADAERN COC(=O)N[C@H]1CC(C)=C(C)CO1 238320765 573224457 /nfs/dbraw/zinc/22/44/57/573224457.db2.gz DEQRHFPTAZOOEX-MRVPVSSYSA-N 0 0 185.223 1.425 10 0 ADAERN NN[C@@H](C1CC1)[C@@H]1CC12CCOCC2 689935023 573224557 /nfs/dbraw/zinc/22/45/57/573224557.db2.gz PRHOGNRGUSFEDC-UWVGGRQHSA-N 0 0 196.294 1.045 10 0 ADAERN CN1c2ccccc2NC(=O)C12CC2 259380719 573224466 /nfs/dbraw/zinc/22/44/66/573224466.db2.gz WESWKHIDPIRBHA-UHFFFAOYSA-N 0 0 188.230 1.608 10 0 ADAERN C[C@H](N)C(=O)O[C@H]1CC[C@@H](C)[C@@H](C)C1 82839882 573224473 /nfs/dbraw/zinc/22/44/73/573224473.db2.gz XDASFLZIDNKEFW-KATARQTJSA-N 0 0 199.294 1.702 10 0 ADAERN CC[C@H](CC(=O)[O-])[N@H+]1C[C@@H](C)[C@@H](C)C1 86013188 573224476 /nfs/dbraw/zinc/22/44/76/573224476.db2.gz GBDJIAJSQVDXAP-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC[C@H](C)[C@@H](C)C1 82838217 573226517 /nfs/dbraw/zinc/22/65/17/573226517.db2.gz HIFOCTHSUFECLL-OYNCUSHFSA-N 0 0 185.267 1.485 10 0 ADAERN O=C1C[C@H]2CC[C@]1(Cl)C2 115888003 573232601 /nfs/dbraw/zinc/23/26/01/573232601.db2.gz NKJJAPIGFNBSKB-VDTYLAMSSA-N 0 0 144.601 1.737 10 0 ADAERN COC(=O)c1c(C)cccc1CO 238321586 573226692 /nfs/dbraw/zinc/22/66/92/573226692.db2.gz LJBFURUVXHREHP-UHFFFAOYSA-N 0 0 180.203 1.274 10 0 ADAERN C[C@@]1(C2CC2)CCC(=O)N1 258597417 573226643 /nfs/dbraw/zinc/22/66/43/573226643.db2.gz UOGSKROHBOFNKC-QMMMGPOBSA-N 0 0 139.198 1.065 10 0 ADAERN Cc1ccc(CNO)s1 82839419 573226654 /nfs/dbraw/zinc/22/66/54/573226654.db2.gz OQKINUNQXXVGER-UHFFFAOYSA-N 0 0 143.211 1.535 10 0 ADAERN C/C=C\CCNC(=O)C1CC(=O)C1 308312286 573226679 /nfs/dbraw/zinc/22/66/79/573226679.db2.gz SFNBIVGFRWHUQL-IHWYPQMZSA-N 0 0 181.235 1.048 10 0 ADAERN COC(=O)c1c(C)cccc1NN 238321636 573226684 /nfs/dbraw/zinc/22/66/84/573226684.db2.gz LNGKRIUJSVUDSO-UHFFFAOYSA-N 0 0 180.207 1.067 10 0 ADAERN CC(C)[C@H](C)[C@@H](C(=O)[O-])[NH+]1CCCC1 308519677 573226686 /nfs/dbraw/zinc/22/66/86/573226686.db2.gz QVPTZBMTLUVMSF-UWVGGRQHSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H](O)C[C@H](C)N1C[C@H](F)[C@@H](F)C1 714658136 573227508 /nfs/dbraw/zinc/22/75/08/573227508.db2.gz YMXRVMVSOHFSLN-JBDRJPRFSA-N 0 0 193.237 1.138 10 0 ADAERN C[C@@H]1CN(c2ccc(N)cn2)C[C@@H]1C 86009765 573226690 /nfs/dbraw/zinc/22/66/90/573226690.db2.gz QRGWGJLRNJFMCQ-DTORHVGOSA-N 0 0 191.278 1.756 10 0 ADAERN COC(=O)[C@H]1C[C@H](C2CCC2)CCN1 258597148 573226705 /nfs/dbraw/zinc/22/67/05/573226705.db2.gz SBYSGDQRHQKATR-NXEZZACHSA-N 0 0 197.278 1.328 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C[C@H]1C1CC1 257975821 573226258 /nfs/dbraw/zinc/22/62/58/573226258.db2.gz ZCJUQHQEXBHFHV-VIFPVBQESA-N 0 0 181.235 1.112 10 0 ADAERN CNc1c(C)c(=O)c(C)cn1C 238322270 573226260 /nfs/dbraw/zinc/22/62/60/573226260.db2.gz WOYAIMJAACZQKG-UHFFFAOYSA-N 0 0 166.224 1.044 10 0 ADAERN CCCc1cc(N)nn1CC 258599684 573226267 /nfs/dbraw/zinc/22/62/67/573226267.db2.gz UTOYUQWXRBHLNX-UHFFFAOYSA-N 0 0 153.229 1.438 10 0 ADAERN CCn1ccn(COC(C)(C)C)c1=O 308519506 573226281 /nfs/dbraw/zinc/22/62/81/573226281.db2.gz WZDASHNTFSQJAL-UHFFFAOYSA-N 0 0 198.266 1.442 10 0 ADAERN Nc1cc2n(c1)CCCC2 82836878 573226288 /nfs/dbraw/zinc/22/62/88/573226288.db2.gz HWDIOJORWRZBAZ-UHFFFAOYSA-N 0 0 136.198 1.407 10 0 ADAERN C[C@@H]1C[NH+](CC(C)(C)C(=O)[O-])C[C@H]1C 86012301 573226294 /nfs/dbraw/zinc/22/62/94/573226294.db2.gz STOMOIRLLWWZRH-RKDXNWHRSA-N 0 0 199.294 1.685 10 0 ADAERN CC(=O)[C@H]1Cc2c(F)cccc2O1 258239433 573226301 /nfs/dbraw/zinc/22/63/01/573226301.db2.gz QLCKORJKRJWKMO-SNVBAGLBSA-N 0 0 180.178 1.718 10 0 ADAERN Cc1ccc(CNO)cc1 82836961 573226315 /nfs/dbraw/zinc/22/63/15/573226315.db2.gz OIBISEAEGMVEPG-UHFFFAOYSA-N 0 0 137.182 1.474 10 0 ADAERN C[C@H](N)C(=O)O[C@@H]1CC[C@H](C)[C@@H](C)C1 82839888 573226542 /nfs/dbraw/zinc/22/65/42/573226542.db2.gz XDASFLZIDNKEFW-AATLWQCWSA-N 0 0 199.294 1.702 10 0 ADAERN CN[C@@H](c1ccc[nH]1)C(F)(F)F 238321976 573226349 /nfs/dbraw/zinc/22/63/49/573226349.db2.gz ADDGFJYIIVNZAR-LURJTMIESA-N 0 0 178.157 1.838 10 0 ADAERN CC(C)[C@H](CO)C(=O)C1CCC1 259038901 573226356 /nfs/dbraw/zinc/22/63/56/573226356.db2.gz CLQZUSWPJVCXKF-VIFPVBQESA-N 0 0 170.252 1.620 10 0 ADAERN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCO1 308310985 573226397 /nfs/dbraw/zinc/22/63/97/573226397.db2.gz RHYCOJJVZNKVCX-YIZRAAEISA-N 0 0 185.267 1.326 10 0 ADAERN CCn1ccc2nc(N)ncc21 258597870 573226424 /nfs/dbraw/zinc/22/64/24/573226424.db2.gz UQLWQJUXYMYKRS-UHFFFAOYSA-N 0 0 162.196 1.033 10 0 ADAERN Cc1ccc(-c2ncn(C)c2N)cc1 104846733 573226526 /nfs/dbraw/zinc/22/65/26/573226526.db2.gz MLAKNQLTDGTAIN-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)c1cnns1 308312556 573226426 /nfs/dbraw/zinc/22/64/26/573226426.db2.gz SIYIAIDBVZESHR-PHDIDXHHSA-N 0 0 198.247 1.351 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)c1ccon1 308312799 573226437 /nfs/dbraw/zinc/22/64/37/573226437.db2.gz SLGAUAKAKCNFEW-NKWVEPMBSA-N 0 0 181.191 1.487 10 0 ADAERN O=Cc1cnnn1C1CCCCC1 257975822 573226455 /nfs/dbraw/zinc/22/64/55/573226455.db2.gz ZCKNIHZZXWIJNH-UHFFFAOYSA-N 0 0 179.223 1.596 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)[C@@H](C)C1 82838216 573226459 /nfs/dbraw/zinc/22/64/59/573226459.db2.gz HIFOCTHSUFECLL-KHQFGBGNSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H](O[C@@H]1CC[C@H](C)[C@@H](C)C1)C(N)=O 82841051 573226530 /nfs/dbraw/zinc/22/65/30/573226530.db2.gz XFEKSLVSLRGAQO-AATLWQCWSA-N 0 0 199.294 1.702 10 0 ADAERN ONCc1ccsc1 82836498 573226494 /nfs/dbraw/zinc/22/64/94/573226494.db2.gz HHKRHJJLCBYPSJ-UHFFFAOYSA-N 0 0 129.184 1.227 10 0 ADAERN CCOC[C@@H](C)NC(=O)C1(C)CC1 308312630 573226497 /nfs/dbraw/zinc/22/64/97/573226497.db2.gz SYHCJNVTWPSDEN-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@H]1C[C@H](OCCO)CC[C@H]1C 82841079 573226510 /nfs/dbraw/zinc/22/65/10/573226510.db2.gz KMRHNDSQSYPVJC-KXUCPTDWSA-N 0 0 172.268 1.820 10 0 ADAERN O=Cc1c(O)ccc(F)c1O 258599831 573226560 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/nfs/dbraw/zinc/23/08/04/573230804.db2.gz MTDNAXSJABUGLU-UHFFFAOYSA-N 0 0 192.258 1.987 10 0 ADAERN Cc1cc(N)nn1CCCC(F)F 688746779 573230820 /nfs/dbraw/zinc/23/08/20/573230820.db2.gz CUWMYFUACQZGJV-UHFFFAOYSA-N 0 0 189.209 1.819 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H](C(C)C)[NH+](C)C 259383496 573230823 /nfs/dbraw/zinc/23/08/23/573230823.db2.gz GTXIYHOKHYEYGE-RKDXNWHRSA-N 0 0 187.283 1.683 10 0 ADAERN Cc1c(-c2ccoc2)n[nH]c(=O)c1C 235741984 573230835 /nfs/dbraw/zinc/23/08/35/573230835.db2.gz LWHPWFCTENSUQY-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN COC[C@@H](C)C(=O)C(C)(C)C 69904357 573230872 /nfs/dbraw/zinc/23/08/72/573230872.db2.gz LISRJEGJEBTUEP-SSDOTTSWSA-N 0 0 158.241 1.884 10 0 ADAERN C1Cc2c1c1c(c3c2CC3)CC1 104926245 573230878 /nfs/dbraw/zinc/23/08/78/573230878.db2.gz MTPUNWSZJLTTLU-UHFFFAOYSA-N 0 0 156.228 1.982 10 0 ADAERN OCc1ccc(O)c2c1CCCC2 219532887 573230882 /nfs/dbraw/zinc/23/08/82/573230882.db2.gz CAAGLRSUDXPOLM-UHFFFAOYSA-N 0 0 178.231 1.763 10 0 ADAERN C[C@H]1C[C@@H](NC(N)=S)CC[C@H]1C 82846711 573230887 /nfs/dbraw/zinc/23/08/87/573230887.db2.gz KXOYZEWBPFCGKM-CSMHCCOUSA-N 0 0 186.324 1.644 10 0 ADAERN C[C@H](O)[C@H](F)Cc1ccccc1 258602333 573230921 /nfs/dbraw/zinc/23/09/21/573230921.db2.gz VARBNCLPGUQURV-WCBMZHEXSA-N 0 0 168.211 1.948 10 0 ADAERN CSC1=NC=C(Cl)S1(=O)=O 258601699 573230935 /nfs/dbraw/zinc/23/09/35/573230935.db2.gz SNSLMZWSMPINBB-UHFFFAOYSA-N 0 0 197.668 1.172 10 0 ADAERN CC[C@H](C)CN(C)C(=O)[C@H]1CCO1 308314577 573230938 /nfs/dbraw/zinc/23/09/38/573230938.db2.gz UNRSBJJCWJHNON-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN COC[C@H](C)[C@@H](C)Nc1nc(C)no1 308524521 573230973 /nfs/dbraw/zinc/23/09/73/573230973.db2.gz AESJHZSTGKTSRK-NKWVEPMBSA-N 0 0 199.254 1.461 10 0 ADAERN C[C@]1(c2ccco2)OC[C@H](CCO)O1 258596239 573230980 /nfs/dbraw/zinc/23/09/80/573230980.db2.gz JVBJOCKFNMNOAP-WPRPVWTQSA-N 0 0 198.218 1.250 10 0 ADAERN CC(C)=C[C@]1(O)CCO[C@@H](C)C1 86020429 573231005 /nfs/dbraw/zinc/23/10/05/573231005.db2.gz AKBBDMZQGRBMHV-VHSXEESVSA-N 0 0 170.252 1.883 10 0 ADAERN CCC(=O)COC(=O)C(F)=C(C)C 308313191 573231008 /nfs/dbraw/zinc/23/10/08/573231008.db2.gz SVPLZKLWUNSRNO-UHFFFAOYSA-N 0 0 188.198 1.772 10 0 ADAERN Cc1ccc(NC(=O)C=O)c(C)c1 258602397 573231022 /nfs/dbraw/zinc/23/10/22/573231022.db2.gz AHVVKUDJHLVHSS-UHFFFAOYSA-N 0 0 177.203 1.441 10 0 ADAERN CC(C)=C[C@@]1(O)CCO[C@@H](C)C1 86020436 573231032 /nfs/dbraw/zinc/23/10/32/573231032.db2.gz AKBBDMZQGRBMHV-UWVGGRQHSA-N 0 0 170.252 1.883 10 0 ADAERN COC[C@H](C)[C@@H](O)C(C)(C)C 69904002 573231076 /nfs/dbraw/zinc/23/10/76/573231076.db2.gz ZJAFTEZEZHUSQT-JGVFFNPUSA-N 0 0 160.257 1.676 10 0 ADAERN C[C@@H]([NH3+])C(F)(F)[C@H]1CCSC1 257975921 573231097 /nfs/dbraw/zinc/23/10/97/573231097.db2.gz ZEGICPMVYKJHAX-RITPCOANSA-N 0 0 181.251 1.722 10 0 ADAERN NNCc1nc(-c2ccc[nH]2)cs1 259385673 573231129 /nfs/dbraw/zinc/23/11/29/573231129.db2.gz UKLUNDPLIIAVKP-UHFFFAOYSA-N 0 0 194.263 1.102 10 0 ADAERN CCC(C)(C)[C@@H](O)Cn1nccc1C 308524577 573231139 /nfs/dbraw/zinc/23/11/39/573231139.db2.gz AFDQLEFLJBFGPG-JTQLQIEISA-N 0 0 196.294 1.989 10 0 ADAERN C[C@H](O)[C@@H](F)Cc1ccccc1 258602336 573231140 /nfs/dbraw/zinc/23/11/40/573231140.db2.gz VARBNCLPGUQURV-WPRPVWTQSA-N 0 0 168.211 1.948 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2cc(O)ccc2O1 258240999 573231148 /nfs/dbraw/zinc/23/11/48/573231148.db2.gz XECPLJRPYNUKMJ-OIBJUYFYSA-N 0 0 194.230 1.467 10 0 ADAERN C[C@H]1C[C@H](NC#N)CC[C@H]1C 82846471 573231173 /nfs/dbraw/zinc/23/11/73/573231173.db2.gz HEWNZMKSRGNZJJ-HRDYMLBCSA-N 0 0 152.241 1.882 10 0 ADAERN CC[C@@H](C)N(C)C(=O)C1=COCC1 308314909 573231178 /nfs/dbraw/zinc/23/11/78/573231178.db2.gz URWPTQCKSSVNKY-MRVPVSSYSA-N 0 0 183.251 1.548 10 0 ADAERN COc1cc(SC)ccc1CON 258240847 573231188 /nfs/dbraw/zinc/23/11/88/573231188.db2.gz WSGGEMBFGZGRKF-UHFFFAOYSA-N 0 0 199.275 1.807 10 0 ADAERN Cc1cn2cc(N)nc2s1 82842511 573231205 /nfs/dbraw/zinc/23/12/05/573231205.db2.gz IAMYJGFJKSORGJ-UHFFFAOYSA-N 0 0 153.210 1.286 10 0 ADAERN CC[C@@H](C[N@H+](C)C1CCC1)C(=O)[O-] 259040143 573231208 /nfs/dbraw/zinc/23/12/08/573231208.db2.gz REAZBIDZZRFEHE-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CCOCC(=O)O[C@@H](C)C1CCC1 308313975 573231212 /nfs/dbraw/zinc/23/12/12/573231212.db2.gz UXIKGUZUWVHYKY-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN OC[C@@H]1C[C@@H]1c1ccccc1O 258601452 573231213 /nfs/dbraw/zinc/23/12/13/573231213.db2.gz UZALOJOHFRAJBS-CBAPKCEASA-N 0 0 164.204 1.488 10 0 ADAERN OC[C@H]1C[C@H]1c1ccccc1O 258601489 573231221 /nfs/dbraw/zinc/23/12/21/573231221.db2.gz UZALOJOHFRAJBS-VXNVDRBHSA-N 0 0 164.204 1.488 10 0 ADAERN CC(C)=C[C@@H](O)[C@@H]1CCCOC1 86020151 573231224 /nfs/dbraw/zinc/23/12/24/573231224.db2.gz TVLSKSODRVVDPH-NXEZZACHSA-N 0 0 170.252 1.740 10 0 ADAERN CN(C)CC(C)(F)F 115899909 573231239 /nfs/dbraw/zinc/23/12/39/573231239.db2.gz CKRAGTDNDBKSLX-UHFFFAOYSA-N 0 0 123.146 1.203 10 0 ADAERN Nc1nn(C2CC2)c2c1CCC2 258602265 573231245 /nfs/dbraw/zinc/23/12/45/573231245.db2.gz VAKPIDYVNOYUAY-UHFFFAOYSA-N 0 0 163.224 1.289 10 0 ADAERN CCONC(=O)NC(C)(C)C(F)F 308313634 573231257 /nfs/dbraw/zinc/23/12/57/573231257.db2.gz URYRFPNXUJFPCS-UHFFFAOYSA-N 0 0 196.197 1.281 10 0 ADAERN CC(C)=C[C@@]1(O)CCO[C@H](C)C1 86020434 573231258 /nfs/dbraw/zinc/23/12/58/573231258.db2.gz AKBBDMZQGRBMHV-ZJUUUORDSA-N 0 0 170.252 1.883 10 0 ADAERN C[C@@H](O)c1ccc(F)cc1N 258602163 573231297 /nfs/dbraw/zinc/23/12/97/573231297.db2.gz VAGYTLKGLKGOIV-RXMQYKEDSA-N 0 0 155.172 1.461 10 0 ADAERN CC[C@H](O)C=C(C)C 86020239 573231311 /nfs/dbraw/zinc/23/13/11/573231311.db2.gz SMKXEJCDVREDQY-ZETCQYMHSA-N 0 0 114.188 1.724 10 0 ADAERN Cc1cc(C=O)c(CCO)cc1C 257976037 573231316 /nfs/dbraw/zinc/23/13/16/573231316.db2.gz IZEGQIGXISKOLA-UHFFFAOYSA-N 0 0 178.231 1.651 10 0 ADAERN C/C=C/C1=CCC[C@H]1O 115903535 573231329 /nfs/dbraw/zinc/23/13/29/573231329.db2.gz OTTJAHSRCKAEPE-BYDTYLDUSA-N 0 0 124.183 1.644 10 0 ADAERN Cc1noc(N)c1[C@H]1CCCOC1 257970351 573231366 /nfs/dbraw/zinc/23/13/66/573231366.db2.gz YMXOGDIQYOFEHQ-ZETCQYMHSA-N 0 0 182.223 1.459 10 0 ADAERN OCC[C@H]1CSc2cccc(O)c21 257976133 573231386 /nfs/dbraw/zinc/23/13/86/573231386.db2.gz GVOAZDDZIZONEO-ZETCQYMHSA-N 0 0 196.271 1.964 10 0 ADAERN OC[C@@H]1C[C@H]1c1ccccc1O 258601466 573231429 /nfs/dbraw/zinc/23/14/29/573231429.db2.gz UZALOJOHFRAJBS-IONNQARKSA-N 0 0 164.204 1.488 10 0 ADAERN COCc1c(F)ccc2c1CC[C@H]2O 238322674 573231432 /nfs/dbraw/zinc/23/14/32/573231432.db2.gz VRORLAJYZSSYEL-LLVKDONJSA-N 0 0 196.221 1.952 10 0 ADAERN CC(C)=C[C@H](O)c1ccncn1 86020398 573231436 /nfs/dbraw/zinc/23/14/36/573231436.db2.gz YWBWTWPVQOONLF-VIFPVBQESA-N 0 0 164.208 1.476 10 0 ADAERN C[C@@H]1CN(c2nc(N)ns2)C[C@@H]1C 86017769 573231454 /nfs/dbraw/zinc/23/14/54/573231454.db2.gz YRSJBWQDXBHVNJ-OLQVQODUSA-N 0 0 198.295 1.213 10 0 ADAERN CSCCOC(=O)c1[nH]ccc1C 308314858 573231459 /nfs/dbraw/zinc/23/14/59/573231459.db2.gz VXQRATAQNGTAEB-UHFFFAOYSA-N 0 0 199.275 1.843 10 0 ADAERN C[C@H]1C[C@@H]1[C@@H](O)c1ccc[nH]1 224085378 573231487 /nfs/dbraw/zinc/23/14/87/573231487.db2.gz FIJPGKAJUINMPZ-ACLDMZEESA-N 0 0 151.209 1.704 10 0 ADAERN COC[C@@](C)(O)C=C(C)C 86018566 573231523 /nfs/dbraw/zinc/23/15/23/573231523.db2.gz NSGPOEVFHCWPHF-QMMMGPOBSA-N 0 0 144.214 1.350 10 0 ADAERN CON(CC(C)C)c1cccnc1N 308524614 573231527 /nfs/dbraw/zinc/23/15/27/573231527.db2.gz APKWWWIRKXKTBK-UHFFFAOYSA-N 0 0 195.266 1.688 10 0 ADAERN COC(=O)[C@H]1CCCCC[C@H]1NC#N 238322786 573231535 /nfs/dbraw/zinc/23/15/35/573231535.db2.gz NPQAUDODFDZCCD-DTWKUNHWSA-N 0 0 196.250 1.179 10 0 ADAERN Cc1noc2cc(CON)ccc12 257976172 573231536 /nfs/dbraw/zinc/23/15/36/573231536.db2.gz JCSAGIXAWSLVRS-UHFFFAOYSA-N 0 0 178.191 1.527 10 0 ADAERN CC(=O)c1nc([C@@H]2CCCCO2)no1 258070965 573231542 /nfs/dbraw/zinc/23/15/42/573231542.db2.gz QIXNXTXCXOUJAY-ZETCQYMHSA-N 0 0 196.206 1.514 10 0 ADAERN CC1=CCC[C@@H](Cc2c[nH]c(=O)[nH]2)C1 115902829 573231560 /nfs/dbraw/zinc/23/15/60/573231560.db2.gz VDPBXWLJWOWLSW-SECBINFHSA-N 0 0 192.262 1.992 10 0 ADAERN CCn1cnnc1-c1ccsc1N 104924200 573231561 /nfs/dbraw/zinc/23/15/61/573231561.db2.gz IASARSRYRPZLMO-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN COC[C@H](C)N(C)C(=O)CC1CC1 308314200 573231572 /nfs/dbraw/zinc/23/15/72/573231572.db2.gz VCHQUPBGZQCPNH-QMMMGPOBSA-N 0 0 185.267 1.280 10 0 ADAERN CNC(=O)[C@H](C)[C@H](O)c1ccccc1 238322644 573231575 /nfs/dbraw/zinc/23/15/75/573231575.db2.gz VUCGUTDLSCMYKX-SCZZXKLOSA-N 0 0 193.246 1.102 10 0 ADAERN COCC[C@@](C)(O)C=C(C)C 86018519 573231578 /nfs/dbraw/zinc/23/15/78/573231578.db2.gz CNOXVLNKYYTEFR-SECBINFHSA-N 0 0 158.241 1.740 10 0 ADAERN COC[C@](C)(O)C=C(C)C 86018568 573231585 /nfs/dbraw/zinc/23/15/85/573231585.db2.gz NSGPOEVFHCWPHF-MRVPVSSYSA-N 0 0 144.214 1.350 10 0 ADAERN OC[C@@H]1Cc2c(O)cccc21 258602345 573231588 /nfs/dbraw/zinc/23/15/88/573231588.db2.gz VBDJCPARHIAOCW-LURJTMIESA-N 0 0 150.177 1.024 10 0 ADAERN CC[C@H](C)N(C)C(=O)C1=COCC1 308314910 573231621 /nfs/dbraw/zinc/23/16/21/573231621.db2.gz URWPTQCKSSVNKY-QMMMGPOBSA-N 0 0 183.251 1.548 10 0 ADAERN OC[C@H]1Cc2c(O)cccc21 258602346 573231636 /nfs/dbraw/zinc/23/16/36/573231636.db2.gz VBDJCPARHIAOCW-ZCFIWIBFSA-N 0 0 150.177 1.024 10 0 ADAERN O=C1CCOc2ccc(CCO)cc21 115924720 573231638 /nfs/dbraw/zinc/23/16/38/573231638.db2.gz CQZBNNGRPJAEBH-UHFFFAOYSA-N 0 0 192.214 1.187 10 0 ADAERN C[C@@H](O)C(F)(F)Br 197230232 573231640 /nfs/dbraw/zinc/23/16/40/573231640.db2.gz GTUHSKDOHFFZBX-UWTATZPHSA-N 0 0 174.972 1.355 10 0 ADAERN C[C@@]1(c2ccco2)OC[C@@H](CCO)O1 258596231 573231648 /nfs/dbraw/zinc/23/16/48/573231648.db2.gz JVBJOCKFNMNOAP-PSASIEDQSA-N 0 0 198.218 1.250 10 0 ADAERN CC[C@H](C)CNC1(C(=O)OC)CC1 308319652 573231682 /nfs/dbraw/zinc/23/16/82/573231682.db2.gz XTEZUBIQHWYKFP-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CCC(C)(C)N(C)C(=O)[C@H]1CCO1 308314058 573231697 /nfs/dbraw/zinc/23/16/97/573231697.db2.gz UDKFGEKUNDMCMS-MRVPVSSYSA-N 0 0 185.267 1.422 10 0 ADAERN COC(=O)c1c(C)oc(C)c1C=O 238323048 573231698 /nfs/dbraw/zinc/23/16/98/573231698.db2.gz OCKTUJAZKVZNPT-UHFFFAOYSA-N 0 0 182.175 1.496 10 0 ADAERN COC(=O)[C@H]1CCS[C@@H]1C1CC1 259603996 573232384 /nfs/dbraw/zinc/23/23/84/573232384.db2.gz DAJCHGVVDBRAOW-JGVFFNPUSA-N 0 0 186.276 1.691 10 0 ADAERN CC(C)=CC1(O)CCC(=O)CC1 86021742 573231700 /nfs/dbraw/zinc/23/17/00/573231700.db2.gz LGKPCGUQMWLKRG-UHFFFAOYSA-N 0 0 168.236 1.827 10 0 ADAERN CNc1c(C)cnc2c(C)c(C)nn12 238322868 573231718 /nfs/dbraw/zinc/23/17/18/573231718.db2.gz IJHYMMSAEGIYMI-UHFFFAOYSA-N 0 0 190.250 1.696 10 0 ADAERN C[NH+](C)[C@@H](CCC(=O)[O-])C1CCC1 259386321 573231739 /nfs/dbraw/zinc/23/17/39/573231739.db2.gz GWAQEODAYBFGGU-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN COCc1c(F)ccc2c1CC[C@@H]2O 238322650 573232151 /nfs/dbraw/zinc/23/21/51/573232151.db2.gz VRORLAJYZSSYEL-NSHDSACASA-N 0 0 196.221 1.952 10 0 ADAERN COC1=CO[C@@](C)(CO)CC1 197239828 573231780 /nfs/dbraw/zinc/23/17/80/573231780.db2.gz UYEYJOPKMMVWHS-MRVPVSSYSA-N 0 0 158.197 1.036 10 0 ADAERN C[C@H]1C[C@@H](NC#N)CC[C@H]1C 82846467 573231801 /nfs/dbraw/zinc/23/18/01/573231801.db2.gz HEWNZMKSRGNZJJ-VGMNWLOBSA-N 0 0 152.241 1.882 10 0 ADAERN CCN1N[C@H](C2CCCC2)CC1=O 257975907 573231844 /nfs/dbraw/zinc/23/18/44/573231844.db2.gz ZEBNVKANKNCLJD-VIFPVBQESA-N 0 0 182.267 1.302 10 0 ADAERN Oc1ccc(C2(O)CC2)c(O)c1 257976019 573231850 /nfs/dbraw/zinc/23/18/50/573231850.db2.gz IYQOILOUYVWFNG-UHFFFAOYSA-N 0 0 166.176 1.079 10 0 ADAERN O=C1CN2C=CC(F)=CC2=N1 258602279 573231852 /nfs/dbraw/zinc/23/18/52/573231852.db2.gz VANDFAPSTCLXBF-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN CCOC(=O)c1ccc(N)c(C)n1 259604024 573232159 /nfs/dbraw/zinc/23/21/59/573232159.db2.gz DAQJJTKBJSLPDE-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN CCC[C@H](NN)[C@H]1CCO[C@H]1C 253024609 573231901 /nfs/dbraw/zinc/23/19/01/573231901.db2.gz ZEODOPAADMXJRM-CIUDSAMLSA-N 0 0 172.272 1.043 10 0 ADAERN Cn1nc([C@@H]2CCSC2)cc1CO 259386407 573231927 /nfs/dbraw/zinc/23/19/27/573231927.db2.gz WMMSMVWZCREDCJ-SSDOTTSWSA-N 0 0 198.291 1.133 10 0 ADAERN Nc1cccnc1NC[C@@H]1CC1(F)F 717289791 573231937 /nfs/dbraw/zinc/23/19/37/573231937.db2.gz 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1.175 10 0 ADAERN CC(F)(F)c1ccc2[nH]c(=O)[nH]c2c1 259039390 573233998 /nfs/dbraw/zinc/23/39/98/573233998.db2.gz SNZTYMFXHFTFRE-UHFFFAOYSA-N 0 0 198.172 1.968 10 0 ADAERN CN(C)c1ncnc2cc[nH]c12 238323746 573234008 /nfs/dbraw/zinc/23/40/08/573234008.db2.gz WLHUIVYHMFZTTF-UHFFFAOYSA-N 0 0 162.196 1.024 10 0 ADAERN C[C@H]([NH3+])C(F)(F)[C@H]1CCSC1 257975925 573234033 /nfs/dbraw/zinc/23/40/33/573234033.db2.gz ZEGICPMVYKJHAX-WDSKDSINSA-N 0 0 181.251 1.722 10 0 ADAERN CC(C)=C[C@]1(O)CCCOC1 86020608 573234046 /nfs/dbraw/zinc/23/40/46/573234046.db2.gz SNNUMVNQGNPRBH-SECBINFHSA-N 0 0 156.225 1.494 10 0 ADAERN CCC(C)(C)N(C)C(=O)[C@@H]1CCO1 308314060 573234050 /nfs/dbraw/zinc/23/40/50/573234050.db2.gz UDKFGEKUNDMCMS-QMMMGPOBSA-N 0 0 185.267 1.422 10 0 ADAERN Cc1[nH]nc2c(C)cc(N)cc12 259387915 573234069 /nfs/dbraw/zinc/23/40/69/573234069.db2.gz KNZIWUNLJZHRMG-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN COCC(=O)[C@H]1CC=CCC1 238323676 573234208 /nfs/dbraw/zinc/23/42/08/573234208.db2.gz JOAQVVAOIBQDJP-QMMMGPOBSA-N 0 0 154.209 1.558 10 0 ADAERN COCC(=O)[C@@H]1CCC=C[C@H]1C 238323709 573234100 /nfs/dbraw/zinc/23/41/00/573234100.db2.gz DGYRKKWQWOUKRL-RKDXNWHRSA-N 0 0 168.236 1.804 10 0 ADAERN Cc1noc(N)c1[C@@H]1CCCOC1 257970347 573234107 /nfs/dbraw/zinc/23/41/07/573234107.db2.gz YMXOGDIQYOFEHQ-SSDOTTSWSA-N 0 0 182.223 1.459 10 0 ADAERN CN(O)CC[C@@H]1CCCCO1 258601724 573234148 /nfs/dbraw/zinc/23/41/48/573234148.db2.gz UZUGOFNJNWUWCU-QMMMGPOBSA-N 0 0 159.229 1.267 10 0 ADAERN CC(=O)[C@@H](F)C1CCOCC1 258601377 573234135 /nfs/dbraw/zinc/23/41/35/573234135.db2.gz UYPAYLHLIXLNRP-MRVPVSSYSA-N 0 0 160.188 1.340 10 0 ADAERN COC(=O)/C=C\[C@@H]1CCCSC1 258241961 573234136 /nfs/dbraw/zinc/23/41/36/573234136.db2.gz QDAHBGOHNSZYAG-LGYSABEFSA-N 0 0 186.276 1.859 10 0 ADAERN C[C@@]1(c2ccco2)OC[C@H](CCO)O1 258596236 573234765 /nfs/dbraw/zinc/23/47/65/573234765.db2.gz JVBJOCKFNMNOAP-WCBMZHEXSA-N 0 0 198.218 1.250 10 0 ADAERN Cc1nc(NC2CCC2)n[nH]1 115992614 573234793 /nfs/dbraw/zinc/23/47/93/573234793.db2.gz RELCUKZUIBXPKW-UHFFFAOYSA-N 0 0 152.201 1.078 10 0 ADAERN COC(=O)c1nnsc1C(C)C 259603927 573234794 /nfs/dbraw/zinc/23/47/94/573234794.db2.gz CZLLELPNWYAFGW-UHFFFAOYSA-N 0 0 186.236 1.448 10 0 ADAERN C/C=C/COC(=O)CCSC 393620734 573234804 /nfs/dbraw/zinc/23/48/04/573234804.db2.gz QGHZCCLBVPHNDI-ONEGZZNKSA-N 0 0 174.265 1.859 10 0 ADAERN CC1(C)[C@H]2CC[C@H](C2)[C@H]1CC(N)=O 105072446 573234841 /nfs/dbraw/zinc/23/48/41/573234841.db2.gz QKTIYRWRJZHQNW-HRDYMLBCSA-N 0 0 181.279 1.934 10 0 ADAERN COCCCC(=O)OCC=C(C)C 308323370 573234854 /nfs/dbraw/zinc/23/48/54/573234854.db2.gz DAPZBXMOGHLRGE-UHFFFAOYSA-N 0 0 186.251 1.922 10 0 ADAERN CNC(NC)c1coc2ccccc12 259389699 573234871 /nfs/dbraw/zinc/23/48/71/573234871.db2.gz MFITXADOVBQIST-UHFFFAOYSA-N 0 0 190.246 1.870 10 0 ADAERN O=Cc1coc(-c2cccc(O)c2)n1 258241790 573234872 /nfs/dbraw/zinc/23/48/72/573234872.db2.gz WGEBOGLJSKWCIM-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN COC(=O)c1cc2ccn(C)c2o1 259603933 573234886 /nfs/dbraw/zinc/23/48/86/573234886.db2.gz CZOZYCBEIHDFBM-UHFFFAOYSA-N 0 0 179.175 1.558 10 0 ADAERN COC(=O)C/C=C\[C@H]1CCCCO1 258242066 573234889 /nfs/dbraw/zinc/23/48/89/573234889.db2.gz QEDUHVFPWFGTPR-XTULLQBASA-N 0 0 184.235 1.675 10 0 ADAERN CCCN(C)C(=O)[C@H](C)CCOC 308323337 573234891 /nfs/dbraw/zinc/23/48/91/573234891.db2.gz CYHKAKWJUYDFTO-SECBINFHSA-N 0 0 187.283 1.527 10 0 ADAERN Nc1ccc(O)c(-c2cc[nH]c2)c1 116011931 573234892 /nfs/dbraw/zinc/23/48/92/573234892.db2.gz SELXUQCLRZJTMP-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN CN1C(=O)[C@@H]2CCNc3cccc1c32 238322898 573234916 /nfs/dbraw/zinc/23/49/16/573234916.db2.gz QLKHCCWGEFNOHC-SSDOTTSWSA-N 0 0 188.230 1.562 10 0 ADAERN CCCC1([C@@H](NN)C2=CCCO2)CC1 308528311 573235555 /nfs/dbraw/zinc/23/55/55/573235555.db2.gz JUXNHEFUKVNZMQ-JTQLQIEISA-N 0 0 196.294 1.703 10 0 ADAERN COC(=O)[C@H]1CCS[C@H]1C1CC1 259604005 573235564 /nfs/dbraw/zinc/23/55/64/573235564.db2.gz DAJCHGVVDBRAOW-YUMQZZPRSA-N 0 0 186.276 1.691 10 0 ADAERN COC[C@H](OC(=O)C1CC1)C(C)C 308323735 573235567 /nfs/dbraw/zinc/23/55/67/573235567.db2.gz DEGPTPLEIVUKGY-VIFPVBQESA-N 0 0 186.251 1.611 10 0 ADAERN COC(=O)c1cncc(OC2CC2)c1 238418799 573235546 /nfs/dbraw/zinc/23/55/46/573235546.db2.gz KOBFVDCUBKBUBZ-UHFFFAOYSA-N 0 0 193.202 1.409 10 0 ADAERN CCCN(OC)c1c(N)c(C)nn1C 308525878 573235586 /nfs/dbraw/zinc/23/55/86/573235586.db2.gz IWPUDBHAVAMZKT-UHFFFAOYSA-N 0 0 198.270 1.089 10 0 ADAERN O=C(CC1=NCCO1)c1ccc[nH]1 259041643 573236119 /nfs/dbraw/zinc/23/61/19/573236119.db2.gz CJQDWOQJYAYAIB-UHFFFAOYSA-N 0 0 178.191 1.016 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@@H+]1CC[C@@H](F)C1 689936079 573236123 /nfs/dbraw/zinc/23/61/23/573236123.db2.gz OQKIUDXOYBTMGX-RBMBQVQZSA-N 0 0 187.214 1.061 10 0 ADAERN Cc1ncccc1[C@@H](O)[C@H](O)C1CC1 715264729 573236093 /nfs/dbraw/zinc/23/60/93/573236093.db2.gz YXGRXIYWSIBAON-GHMZBOCLSA-N 0 0 193.246 1.194 10 0 ADAERN COC(=O)C/C=C\C1CC1 258244241 573236096 /nfs/dbraw/zinc/23/60/96/573236096.db2.gz QFESWYDHEJQATN-IHWYPQMZSA-N 0 0 140.182 1.516 10 0 ADAERN CC[C@H](C)CC(=O)N[C@H](C)[C@H](C)O 308315254 573237739 /nfs/dbraw/zinc/23/77/39/573237739.db2.gz VABRSPWIDLSOKA-YIZRAAEISA-N 0 0 187.283 1.308 10 0 ADAERN OCC1(CO)C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 105131991 573237745 /nfs/dbraw/zinc/23/77/45/573237745.db2.gz GLPRUEAKGGYFRY-DTIDVZRVSA-N 0 0 194.274 1.190 10 0 ADAERN COCC(=O)[C@H]1CCC=C[C@@H]1C 238324124 573237752 /nfs/dbraw/zinc/23/77/52/573237752.db2.gz DGYRKKWQWOUKRL-IUCAKERBSA-N 0 0 168.236 1.804 10 0 ADAERN CC[C@@H](OC)[C@@H](O)c1cn(CC)cn1 308527981 573237769 /nfs/dbraw/zinc/23/77/69/573237769.db2.gz JKMRHDPTGSULIE-ZJUUUORDSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@H](CCO)C1CCC1 258604855 573237770 /nfs/dbraw/zinc/23/77/70/573237770.db2.gz VHIBDDVTVWAWGU-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1cccc(/C=C/[C@H](O)CO)c1 222931951 573238319 /nfs/dbraw/zinc/23/83/19/573238319.db2.gz LHHKEMUTSMCINN-QRGHLMKCSA-N 0 0 178.231 1.361 10 0 ADAERN CCOCc1cc(N)ns1 257976552 573237806 /nfs/dbraw/zinc/23/78/06/573237806.db2.gz WHTCPLAMECMHPD-UHFFFAOYSA-N 0 0 158.226 1.262 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)C1=COCC1 308315645 573238321 /nfs/dbraw/zinc/23/83/21/573238321.db2.gz VHFLBZWSSPJXBR-VXNVDRBHSA-N 0 0 182.219 1.490 10 0 ADAERN Cc1ccc([C@H]2COC[C@@H]2O)c(C)c1 687978182 573237728 /nfs/dbraw/zinc/23/77/28/573237728.db2.gz ANKHEWLMWDNDCD-NEPJUHHUSA-N 0 0 192.258 1.778 10 0 ADAERN CCOCC(=O)OCC=C1CCC1 308316074 573238592 /nfs/dbraw/zinc/23/85/92/573238592.db2.gz WYGATAVWOXEDIE-UHFFFAOYSA-N 0 0 184.235 1.676 10 0 ADAERN COCc1ccc(CNOC)cc1F 258242913 573237863 /nfs/dbraw/zinc/23/78/63/573237863.db2.gz WXWMWQQFRJGWKX-UHFFFAOYSA-N 0 0 199.225 1.623 10 0 ADAERN Cc1nc(Cl)cc(C(=O)N(C)C)n1 238314385 573237865 /nfs/dbraw/zinc/23/78/65/573237865.db2.gz FGLSBNKZNCKNRF-UHFFFAOYSA-N 0 0 199.641 1.140 10 0 ADAERN OCC/C=C\C[C@@H]1CCCOC1 258244267 573237881 /nfs/dbraw/zinc/23/78/81/573237881.db2.gz QFYBLVNRASZPLG-JWXWKVPASA-N 0 0 170.252 1.742 10 0 ADAERN CO[C@H]1CCc2cccc(N)c21 258604534 573237897 /nfs/dbraw/zinc/23/78/97/573237897.db2.gz VGKRQCLDQHYBQN-VIFPVBQESA-N 0 0 163.220 1.903 10 0 ADAERN CCC1(C(=O)Cc2cnn(C)n2)CC1 308526397 573237907 /nfs/dbraw/zinc/23/79/07/573237907.db2.gz PFDQPFUBOLBFAN-UHFFFAOYSA-N 0 0 193.250 1.117 10 0 ADAERN CCc1cc(CON)ccc1F 238324435 573237921 /nfs/dbraw/zinc/23/79/21/573237921.db2.gz DMCKGQSQONVUPE-UHFFFAOYSA-N 0 0 169.199 1.778 10 0 ADAERN CC(C)CC(=O)C1(CO)CC1 259041792 573238596 /nfs/dbraw/zinc/23/85/96/573238596.db2.gz BAWWKJXXNZCDBL-UHFFFAOYSA-N 0 0 156.225 1.374 10 0 ADAERN CCCC[C@H](C)N1C(=O)C=CC1=O 50889254 573237973 /nfs/dbraw/zinc/23/79/73/573237973.db2.gz ICMIRIKOUMCGJX-QMMMGPOBSA-N 0 0 181.235 1.490 10 0 ADAERN CC(C)[C@@H](C)C(=O)Cc1cnn(C)n1 308528998 573237978 /nfs/dbraw/zinc/23/79/78/573237978.db2.gz PZECPCONKPKRNG-MRVPVSSYSA-N 0 0 195.266 1.219 10 0 ADAERN C[C@H]1C[C@H]1COC(=O)C1=COCC1 308315643 573237981 /nfs/dbraw/zinc/23/79/81/573237981.db2.gz VHFLBZWSSPJXBR-CBAPKCEASA-N 0 0 182.219 1.490 10 0 ADAERN C[C@@H](O)[C@@H]1COc2cccc(F)c21 258244669 573238034 /nfs/dbraw/zinc/23/80/34/573238034.db2.gz XIRJWAKAPMSBTA-RQJHMYQMSA-N 0 0 182.194 1.683 10 0 ADAERN C[C@H]1C[C@@]1(CO)c1ccccn1 259042095 573238038 /nfs/dbraw/zinc/23/80/38/573238038.db2.gz TVRXJUDEGLQIMO-WPRPVWTQSA-N 0 0 163.220 1.352 10 0 ADAERN C[C@H]1OCC/C1=C/C(=O)OC1CC1 308315197 573238048 /nfs/dbraw/zinc/23/80/48/573238048.db2.gz UXPAOKYLPZCKAA-QHRPWQPMSA-N 0 0 182.219 1.427 10 0 ADAERN COCc1cc(F)cc2c1CC[C@@H]2O 238324053 573238050 /nfs/dbraw/zinc/23/80/50/573238050.db2.gz XVVCAJHTBGHHQK-NSHDSACASA-N 0 0 196.221 1.952 10 0 ADAERN CCCN(C)C(=O)[C@@H](C)CCOC 308323338 573238057 /nfs/dbraw/zinc/23/80/57/573238057.db2.gz CYHKAKWJUYDFTO-VIFPVBQESA-N 0 0 187.283 1.527 10 0 ADAERN CCC(=O)COC(=O)/C=C/C1CC1 308315233 573238089 /nfs/dbraw/zinc/23/80/89/573238089.db2.gz UZFMGMQCZPKYJP-AATRIKPKSA-N 0 0 182.219 1.475 10 0 ADAERN CC(C)=C[C@@H](N)c1ncccn1 86025557 573238118 /nfs/dbraw/zinc/23/81/18/573238118.db2.gz IAXNMAMPGHWDGL-MRVPVSSYSA-N 0 0 163.224 1.443 10 0 ADAERN CCN(CC1CC1)C(=O)[C@H]1CCO1 308323274 573238158 /nfs/dbraw/zinc/23/81/58/573238158.db2.gz CWRAGTCRJNGIMG-SECBINFHSA-N 0 0 183.251 1.034 10 0 ADAERN Cc1cc(C)c2c(c1)[C@@H](O)C(=O)N2C 238323914 573238178 /nfs/dbraw/zinc/23/81/78/573238178.db2.gz XCXVLXCYXLIQKJ-SNVBAGLBSA-N 0 0 191.230 1.313 10 0 ADAERN CSC[C@@H](C)C(=O)Nn1cccc1 308316093 573238181 /nfs/dbraw/zinc/23/81/81/573238181.db2.gz WYYARCWGIAIMFC-MRVPVSSYSA-N 0 0 198.291 1.557 10 0 ADAERN CSC[C@H](C)C(=O)Nn1cccc1 308316096 573238190 /nfs/dbraw/zinc/23/81/90/573238190.db2.gz WYYARCWGIAIMFC-QMMMGPOBSA-N 0 0 198.291 1.557 10 0 ADAERN COC(=O)Nc1ccoc1C 238323848 573238194 /nfs/dbraw/zinc/23/81/94/573238194.db2.gz GZLUSYUPEBEQBX-UHFFFAOYSA-N 0 0 155.153 1.766 10 0 ADAERN CS/C=C\C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 308316016 573238218 /nfs/dbraw/zinc/23/82/18/573238218.db2.gz WUFJJMFMYCYZHQ-HDVQFBALSA-N 0 0 197.303 1.778 10 0 ADAERN COc1nnc(N(C)CC2CC2)s1 308315454 573238608 /nfs/dbraw/zinc/23/86/08/573238608.db2.gz WISKLZCTZKLMIG-UHFFFAOYSA-N 0 0 199.279 1.393 10 0 ADAERN COC(=O)[C@@H](F)C1CCCC1 258604318 573238246 /nfs/dbraw/zinc/23/82/46/573238246.db2.gz VFEIRBHSEAWEKX-ZETCQYMHSA-N 0 0 160.188 1.688 10 0 ADAERN OCC/C=C\C[C@H]1CCCOC1 258244268 573238261 /nfs/dbraw/zinc/23/82/61/573238261.db2.gz QFYBLVNRASZPLG-SYBPUXJVSA-N 0 0 170.252 1.742 10 0 ADAERN CCC(=O)O[C@@H](C)[C@@]1(C)CCCO1 308315306 573238270 /nfs/dbraw/zinc/23/82/70/573238270.db2.gz VCELAYXTLCDHMY-WCBMZHEXSA-N 0 0 186.251 1.897 10 0 ADAERN C=C(C(N)=O)c1ccc(C)cc1 116025073 573238280 /nfs/dbraw/zinc/23/82/80/573238280.db2.gz CIUXBDMQNJREMY-UHFFFAOYSA-N 0 0 161.204 1.494 10 0 ADAERN COc1nccnc1NCCSC 308315749 573238290 /nfs/dbraw/zinc/23/82/90/573238290.db2.gz WRMJAPAVIZIEQY-UHFFFAOYSA-N 0 0 199.279 1.260 10 0 ADAERN CC[C@H](C)Nc1n[nH]c(C)n1 115992867 573238293 /nfs/dbraw/zinc/23/82/93/573238293.db2.gz HFYQHRZWWSHEDZ-YFKPBYRVSA-N 0 0 154.217 1.324 10 0 ADAERN CCC(=O)O[C@@H](C)c1cnn(C)c1 308315206 573238307 /nfs/dbraw/zinc/23/83/07/573238307.db2.gz UXTYFRQHPBQVMI-ZETCQYMHSA-N 0 0 182.223 1.434 10 0 ADAERN COc1ccc(CN=O)cc1OC 222923287 573238318 /nfs/dbraw/zinc/23/83/18/573238318.db2.gz WCZOGCVLBREKCN-UHFFFAOYSA-N 0 0 181.191 1.970 10 0 ADAERN OC[C@@H]1Cc2c(F)cccc21 258488543 573238338 /nfs/dbraw/zinc/23/83/38/573238338.db2.gz JXPZEKXYPIUWHH-LURJTMIESA-N 0 0 152.168 1.458 10 0 ADAERN C[C@H]1CNc2c(N)cccc2N1 259389728 573238401 /nfs/dbraw/zinc/23/84/01/573238401.db2.gz WQDOLKTUGNVPJL-LURJTMIESA-N 0 0 163.224 1.495 10 0 ADAERN Cn1cc2cc(F)cc(C=O)c2n1 259388149 573238381 /nfs/dbraw/zinc/23/83/81/573238381.db2.gz KQHMDRRQFYOORI-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN C[C@H](O)[C@H](F)[C@@H]1CCSC1 258604720 573238384 /nfs/dbraw/zinc/23/83/84/573238384.db2.gz VGYLEVWIOSCRTM-XVMARJQXSA-N 0 0 164.245 1.458 10 0 ADAERN COCC(=O)O[C@@H]1CCCC[C@@H]1C 308315092 573238614 /nfs/dbraw/zinc/23/86/14/573238614.db2.gz WCOXXYHEMRXQOA-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN 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165.240 1.753 10 0 ADAERN C[C@@H]1Cc2cc(=O)[nH]nc2[C@@H](C)C1 82857536 573241798 /nfs/dbraw/zinc/24/17/98/573241798.db2.gz VUVUFEJRQLURGM-BQBZGAKWSA-N 0 0 178.235 1.456 10 0 ADAERN C/C=C/C=C\C(=O)Nn1cccc1 308320113 573241821 /nfs/dbraw/zinc/24/18/21/573241821.db2.gz YAIMABBXEHYULH-SWBALALESA-N 0 0 176.219 1.691 10 0 ADAERN CNC(=S)c1ccc2[nH]cnc2c1 259046605 573241822 /nfs/dbraw/zinc/24/18/22/573241822.db2.gz CPXLTUZEWRHMOE-UHFFFAOYSA-N 0 0 191.259 1.458 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC(=O)[O-])C1 82858230 573241832 /nfs/dbraw/zinc/24/18/32/573241832.db2.gz CWBLERJZDHALFF-IWSPIJDZSA-N 0 0 185.267 1.485 10 0 ADAERN COC(=O)N[C@@H](C)[C@@H]1CCCC1=O 238315898 573241837 /nfs/dbraw/zinc/24/18/37/573241837.db2.gz LNGXASBDWKGKFH-BQBZGAKWSA-N 0 0 185.223 1.100 10 0 ADAERN CC[C@H](O)[C@]1(O)CCSC(C)=N1 238316084 573241848 /nfs/dbraw/zinc/24/18/48/573241848.db2.gz JTAXJLMPNIBTTA-JGVFFNPUSA-N 0 0 189.280 1.001 10 0 ADAERN C[C@@H]1CCc2cnc(N)nc2[C@@H]1C 82859554 573241851 /nfs/dbraw/zinc/24/18/51/573241851.db2.gz MRIMANNYFJFYBU-RNFRBKRXSA-N 0 0 177.251 1.745 10 0 ADAERN CCCCc1cnc(N)o1 258608741 573241866 /nfs/dbraw/zinc/24/18/66/573241866.db2.gz OYVMKTIIXFJXMQ-UHFFFAOYSA-N 0 0 140.186 1.599 10 0 ADAERN CCOC(=O)C1CC[C@@H](O)C=C1C 238315221 573241899 /nfs/dbraw/zinc/24/18/99/573241899.db2.gz TVDUUWTZMGUSBC-SREPSJJZSA-N 0 0 184.235 1.894 10 0 ADAERN Cc1nc2ccc(NN)cc2n1C 258607413 573241905 /nfs/dbraw/zinc/24/19/05/573241905.db2.gz NVSJYZYPJVBZBX-UHFFFAOYSA-N 0 0 176.223 1.167 10 0 ADAERN C[C@@H](O)c1ccc2c(c1O)OCO2 257977070 573241918 /nfs/dbraw/zinc/24/19/18/573241918.db2.gz DIPZTIZNQOKJHV-RXMQYKEDSA-N 0 0 182.175 1.174 10 0 ADAERN C/C=C\CN1CC(n2cccn2)C1 308319970 573241927 /nfs/dbraw/zinc/24/19/27/573241927.db2.gz XVSRFGKJWWEYLF-IHWYPQMZSA-N 0 0 177.251 1.316 10 0 ADAERN CC(C)(O)C1(C(F)F)CC1 258607242 573241932 /nfs/dbraw/zinc/24/19/32/573241932.db2.gz VLENBQIPHAGAKC-UHFFFAOYSA-N 0 0 150.168 1.803 10 0 ADAERN C[C@]1(O)CC[C@@H]2C[C@H]1[C@]2(C)CO 105230536 573241947 /nfs/dbraw/zinc/24/19/47/573241947.db2.gz YSCNHWANXPJQQL-RGOKHQFPSA-N 0 0 170.252 1.166 10 0 ADAERN C[C@@H]1Cc2cnc(N)nc2[C@@H](C)C1 82859564 573241953 /nfs/dbraw/zinc/24/19/53/573241953.db2.gz GRMDTRUYJWBMDE-BQBZGAKWSA-N 0 0 177.251 1.745 10 0 ADAERN CCc1cc(=O)n(C/C=C\Cl)cn1 308319931 573242464 /nfs/dbraw/zinc/24/24/64/573242464.db2.gz ZSVRTWJJAWRYQC-ARJAWSKDSA-N 0 0 198.653 1.558 10 0 ADAERN C[C@@H]1CC[C@@]2(CC(=O)NC2=O)[C@H](C)C1 82857496 573242263 /nfs/dbraw/zinc/24/22/63/573242263.db2.gz GELLLFQHFJIQBB-SOCHQFKDSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1CCc2cc(=O)[nH]nc2[C@@H]1C 82857542 573242268 /nfs/dbraw/zinc/24/22/68/573242268.db2.gz MZOXSIDTWFCIKM-RNFRBKRXSA-N 0 0 178.235 1.456 10 0 ADAERN COC(C)(C)[C@H](O)C(C)C 86071870 573242269 /nfs/dbraw/zinc/24/22/69/573242269.db2.gz AIKYYPOGJPYGAT-SSDOTTSWSA-N 0 0 146.230 1.428 10 0 ADAERN O=C1CO[C@@H](c2ccc(Cl)cn2)C1 715722284 573242301 /nfs/dbraw/zinc/24/23/01/573242301.db2.gz BCRTURBYHPPOEU-SECBINFHSA-N 0 0 197.621 1.766 10 0 ADAERN COC(C)(C)C(=O)C(C)C 86071582 573242316 /nfs/dbraw/zinc/24/23/16/573242316.db2.gz IZRMCEOJDJYHLN-UHFFFAOYSA-N 0 0 144.214 1.637 10 0 ADAERN CCCC(=O)Cn1cc(OCC)cn1 308521573 573242322 /nfs/dbraw/zinc/24/23/22/573242322.db2.gz HWSHTMAGGQFFEW-UHFFFAOYSA-N 0 0 196.250 1.651 10 0 ADAERN C[NH+]1CCC([C@@]2(C)C[C@@H]2C(=O)[O-])CC1 259043795 573242344 /nfs/dbraw/zinc/24/23/44/573242344.db2.gz AMXOABVTMUREDN-MWLCHTKSSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@@H](CCC(=O)[O-])[N@@H+]1CC[C@@H](F)C1 689936892 573242346 /nfs/dbraw/zinc/24/23/46/573242346.db2.gz WYECPQFIJAPYKX-JGVFFNPUSA-N 0 0 189.230 1.284 10 0 ADAERN O=C(C1CCCC1)C1(CO)CC1 259043827 573242349 /nfs/dbraw/zinc/24/23/49/573242349.db2.gz BFMDGMBRFSPLOJ-UHFFFAOYSA-N 0 0 168.236 1.518 10 0 ADAERN C[C@@H]1OCC[C@@H]1OC(=O)CC1CC1 308320419 573242360 /nfs/dbraw/zinc/24/23/60/573242360.db2.gz YEFIVWANGYSUSR-CBAPKCEASA-N 0 0 184.235 1.507 10 0 ADAERN C[C@H]1CCc2cnc(N)nc2[C@@H]1C 82859555 573242379 /nfs/dbraw/zinc/24/23/79/573242379.db2.gz MRIMANNYFJFYBU-NKWVEPMBSA-N 0 0 177.251 1.745 10 0 ADAERN C[C@@]1([C@@H]2CCCS2)CNC(=O)C1 257976977 573242380 /nfs/dbraw/zinc/24/23/80/573242380.db2.gz ZFFZQGJUMMONID-CBAPKCEASA-N 0 0 185.292 1.408 10 0 ADAERN CCNc1nc(C[C@H](C)OC)no1 129156042 573242381 /nfs/dbraw/zinc/24/23/81/573242381.db2.gz RXUUOPMVPMLJOX-LURJTMIESA-N 0 0 185.227 1.079 10 0 ADAERN CNc1ncc(Cc2ccccn2)o1 258606906 573242401 /nfs/dbraw/zinc/24/24/01/573242401.db2.gz OURJIKPKMDPYSO-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN C1CCC([C@@H]2CNOC2)CC1 258607333 573242408 /nfs/dbraw/zinc/24/24/08/573242408.db2.gz VMTFDZKDOFZQKV-SECBINFHSA-N 0 0 155.241 1.718 10 0 ADAERN O=C1CO[C@H](c2ccc(Cl)cn2)C1 715722288 573242415 /nfs/dbraw/zinc/24/24/15/573242415.db2.gz BCRTURBYHPPOEU-VIFPVBQESA-N 0 0 197.621 1.766 10 0 ADAERN C[C@@]1(c2ccccc2O)C[C@@H]1CO 257976966 573242419 /nfs/dbraw/zinc/24/24/19/573242419.db2.gz ZFCOAXAIDATBJS-LDYMZIIASA-N 0 0 178.231 1.662 10 0 ADAERN CCc1cc(C)nc(CC(C)=O)n1 259046345 573242420 /nfs/dbraw/zinc/24/24/20/573242420.db2.gz IQQRUDLUCJSECX-UHFFFAOYSA-N 0 0 178.235 1.479 10 0 ADAERN COC(=O)CCCc1ncns1 259604314 573242432 /nfs/dbraw/zinc/24/24/32/573242432.db2.gz DDVYSFJXKXNEKV-UHFFFAOYSA-N 0 0 186.236 1.034 10 0 ADAERN CCC(CC)[C@@]1(O)CO[C@H](C)C1 401842471 573242458 /nfs/dbraw/zinc/24/24/58/573242458.db2.gz SFFBEMGCAGGRNU-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN C1CCC([C@@H]2CCNO2)C1 258606802 573242475 /nfs/dbraw/zinc/24/24/75/573242475.db2.gz VIJXEEZFDCNBSD-QMMMGPOBSA-N 0 0 141.214 1.470 10 0 ADAERN CCc1nn(C2CC(OC)C2)cc1N 716639118 573242479 /nfs/dbraw/zinc/24/24/79/573242479.db2.gz RWIPQHNZQRNAOE-UHFFFAOYSA-N 0 0 195.266 1.378 10 0 ADAERN CCCc1ccnc(CNC2CC2)n1 259044531 573242504 /nfs/dbraw/zinc/24/25/04/573242504.db2.gz IPYCLFRBNXSSBR-UHFFFAOYSA-N 0 0 191.278 1.681 10 0 ADAERN Cc1cc(C2CCOCC2)[nH]c(=O)n1 259044325 573242516 /nfs/dbraw/zinc/24/25/16/573242516.db2.gz IMNQLBFQLWIKRA-UHFFFAOYSA-N 0 0 194.234 1.385 10 0 ADAERN c1cnc2c(c1)nnn2[C@@H]1CCCO1 258606367 573243194 /nfs/dbraw/zinc/24/31/94/573243194.db2.gz VQKLNHYSTOMIDU-QMMMGPOBSA-N 0 0 190.206 1.135 10 0 ADAERN CCOc1[nH]c(C=O)c(C)c1C 238315440 573243199 /nfs/dbraw/zinc/24/31/99/573243199.db2.gz JVZVJICSGQBUMU-UHFFFAOYSA-N 0 0 167.208 1.843 10 0 ADAERN CCOCCC(=O)O[C@@]1(C)C[C@H]1C 308319895 573243201 /nfs/dbraw/zinc/24/32/01/573243201.db2.gz ZRYJGQFYXLGONU-SCZZXKLOSA-N 0 0 186.251 1.755 10 0 ADAERN COc1nccc(CC[C@H](C)O)c1F 308522244 573243204 /nfs/dbraw/zinc/24/32/04/573243204.db2.gz IFQLILLZNUCWJZ-ZETCQYMHSA-N 0 0 199.225 1.543 10 0 ADAERN CCCCC[NH2+]C[C@H](C)CC(=O)[O-] 258608776 573243960 /nfs/dbraw/zinc/24/39/60/573243960.db2.gz IFEPADALZLQGEW-SECBINFHSA-N 0 0 187.283 1.877 10 0 ADAERN Nc1ccc(Cn2cccn2)c(F)c1 82864819 573243975 /nfs/dbraw/zinc/24/39/75/573243975.db2.gz XSCYVBHEKOFUGO-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN CCOCCC(=O)O[C@]1(C)C[C@@H]1C 308319897 573243977 /nfs/dbraw/zinc/24/39/77/573243977.db2.gz ZRYJGQFYXLGONU-WCBMZHEXSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)[C@]1(O)CC[C@@H](C)C[C@H]1C 82861874 573243982 /nfs/dbraw/zinc/24/39/82/573243982.db2.gz ZUMJCEYPPOIJAV-MRTMQBJTSA-N 0 0 186.251 1.347 10 0 ADAERN CCC(=O)OC[C@@H]1CCO[C@@H](C)C1 308321177 573243984 /nfs/dbraw/zinc/24/39/84/573243984.db2.gz YSABTXSEMBVAEU-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN COC(C)(C)C(=O)[C@@H]1CCOC1 86071495 573243988 /nfs/dbraw/zinc/24/39/88/573243988.db2.gz LBPBACVEVBAZPH-SSDOTTSWSA-N 0 0 172.224 1.017 10 0 ADAERN CCCOCC[C@H](O)c1cn(C)cn1 308529127 573243951 /nfs/dbraw/zinc/24/39/51/573243951.db2.gz JRSUUSSFIOCCFF-JTQLQIEISA-N 0 0 198.266 1.270 10 0 ADAERN CCOC(=O)C1CC[C@H](O)C=C1C 238315228 573243857 /nfs/dbraw/zinc/24/38/57/573243857.db2.gz TVDUUWTZMGUSBC-HHHOFRBGSA-N 0 0 184.235 1.894 10 0 ADAERN C[C@H]1C[C@@H]2CC[C@H]1[C@@H]2O 105232515 573243859 /nfs/dbraw/zinc/24/38/59/573243859.db2.gz MPSXNJQNJVMCQC-RULNZFCNSA-N 0 0 126.199 1.413 10 0 ADAERN CCO[C@H]1C[C@@H]1c1nnc(N)s1 689937260 573243862 /nfs/dbraw/zinc/24/38/62/573243862.db2.gz DEDVLVNSJVHSNW-WHFBIAKZSA-N 0 0 185.252 1.013 10 0 ADAERN Cc1ccc(-c2cnc(N)[nH]c2=O)o1 258607147 573243879 /nfs/dbraw/zinc/24/38/79/573243879.db2.gz TUHQIJICXBTGHC-UHFFFAOYSA-N 0 0 191.190 1.333 10 0 ADAERN COc1c(F)ccc(CCO)c1F 257976990 573243887 /nfs/dbraw/zinc/24/38/87/573243887.db2.gz DHVJIQYKYZRHFP-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN CC1(C)C[C@@]1(CO)c1cccnc1 259045840 573243901 /nfs/dbraw/zinc/24/39/01/573243901.db2.gz ULJLNPFXTNYADD-LLVKDONJSA-N 0 0 177.247 1.742 10 0 ADAERN C[C@@H](O)c1ccc(O)cc1N 258607325 573243912 /nfs/dbraw/zinc/24/39/12/573243912.db2.gz VMMJDLATTBCQCG-RXMQYKEDSA-N 0 0 153.181 1.028 10 0 ADAERN CNC(=O)NCC(C)(C)c1ccc[nH]1 258607800 573243918 /nfs/dbraw/zinc/24/39/18/573243918.db2.gz AHGFONCWKAYLBE-UHFFFAOYSA-N 0 0 195.266 1.221 10 0 ADAERN COC(C)(C)C(=O)CC1CC1 86071491 573245192 /nfs/dbraw/zinc/24/51/92/573245192.db2.gz MZEXCIIAWXJODO-UHFFFAOYSA-N 0 0 156.225 1.781 10 0 ADAERN C/C=C/[C@@H](C)C[C@H](C[NH3+])CC(=O)[O-] 77950320 573244735 /nfs/dbraw/zinc/24/47/35/573244735.db2.gz HEHWAGOHHVUWGC-BKIAHZASSA-N 0 0 185.267 1.638 10 0 ADAERN CNc1nc(C)nnc1C1CCC1 259044175 573244741 /nfs/dbraw/zinc/24/47/41/573244741.db2.gz COWLGWHGVVISMK-UHFFFAOYSA-N 0 0 178.239 1.489 10 0 ADAERN CC(C)(C)/C=C(\F)CO 393511347 573244773 /nfs/dbraw/zinc/24/47/73/573244773.db2.gz ADGQDKNBQPABRS-XQRVVYSFSA-N 0 0 132.178 1.878 10 0 ADAERN Nc1ccc(Cn2cncn2)c(F)c1 82864820 573244776 /nfs/dbraw/zinc/24/47/76/573244776.db2.gz JAMOVVIZRXELTL-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN C[C@H]1OCC[C@H]1OC(=O)CC1CC1 308320421 573244777 /nfs/dbraw/zinc/24/47/77/573244777.db2.gz YEFIVWANGYSUSR-VXNVDRBHSA-N 0 0 184.235 1.507 10 0 ADAERN CCN(CC(C)=O)Cc1ccco1 50153891 573244783 /nfs/dbraw/zinc/24/47/83/573244783.db2.gz PDGGVIOVEJAFPG-UHFFFAOYSA-N 0 0 181.235 1.691 10 0 ADAERN C/C=C\CCNC(=O)NCC(F)F 308321157 573244784 /nfs/dbraw/zinc/24/47/84/573244784.db2.gz YRJWCWKFMTWDAD-IHWYPQMZSA-N 0 0 192.209 1.517 10 0 ADAERN C/C=C\CCNc1ccc(=O)[nH]n1 308320040 573244801 /nfs/dbraw/zinc/24/48/01/573244801.db2.gz XXIMVEQCOGATOY-IHWYPQMZSA-N 0 0 179.223 1.148 10 0 ADAERN Nc1cc(F)ccc1Cn1cncn1 82864593 573244806 /nfs/dbraw/zinc/24/48/06/573244806.db2.gz BFSPDUJPQSUYDI-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN CCCCC[NH2+]C[C@@H](C)CC(=O)[O-] 258608780 573244807 /nfs/dbraw/zinc/24/48/07/573244807.db2.gz IFEPADALZLQGEW-VIFPVBQESA-N 0 0 187.283 1.877 10 0 ADAERN C[NH+]1CCC([C@]2(C)C[C@H]2C(=O)[O-])CC1 259043799 573244846 /nfs/dbraw/zinc/24/48/46/573244846.db2.gz AMXOABVTMUREDN-ONGXEEELSA-N 0 0 197.278 1.439 10 0 ADAERN C=C(C(N)=O)c1cccc(C)c1 116028484 573244852 /nfs/dbraw/zinc/24/48/52/573244852.db2.gz VWGOASWFDPKZMY-UHFFFAOYSA-N 0 0 161.204 1.494 10 0 ADAERN OC[C@H](F)Cc1ccccc1O 258607287 573244868 /nfs/dbraw/zinc/24/48/68/573244868.db2.gz VLUPQNVOGHUWDU-MRVPVSSYSA-N 0 0 170.183 1.265 10 0 ADAERN OCc1cc([C@@H]2CCCCO2)n[nH]1 259390636 573244874 /nfs/dbraw/zinc/24/48/74/573244874.db2.gz WSQSZDYPOFODJG-VIFPVBQESA-N 0 0 182.223 1.144 10 0 ADAERN CCC(=O)OC[C@@H]1CCO[C@H](C)C1 308321179 573244889 /nfs/dbraw/zinc/24/48/89/573244889.db2.gz YSABTXSEMBVAEU-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@]1(C(=O)[O-])[NH+](C)C 82861612 573244895 /nfs/dbraw/zinc/24/48/95/573244895.db2.gz PKHWVMODFQOPKZ-YWVKMMECSA-N 0 0 199.294 1.828 10 0 ADAERN COC(C)(C)C(=O)[C@H]1CCOC1 86071497 573244938 /nfs/dbraw/zinc/24/49/38/573244938.db2.gz LBPBACVEVBAZPH-ZETCQYMHSA-N 0 0 172.224 1.017 10 0 ADAERN CCONC(=O)C1(CC(C)C)CC1 308319974 573244960 /nfs/dbraw/zinc/24/49/60/573244960.db2.gz ZVFPSHLLCPYXFO-UHFFFAOYSA-N 0 0 185.267 1.880 10 0 ADAERN Cc1[nH]c(=O)oc1C1CCC1 258607227 573244969 /nfs/dbraw/zinc/24/49/69/573244969.db2.gz VLBNNHPISSNVPW-UHFFFAOYSA-N 0 0 153.181 1.956 10 0 ADAERN Cc1nc(N)ccc1-c1ncccn1 715724594 573244990 /nfs/dbraw/zinc/24/49/90/573244990.db2.gz JSYRYNFRUKBRNW-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN COC(=O)/C=C\C[C@H](O)CC(C)C 222927950 573244993 /nfs/dbraw/zinc/24/49/93/573244993.db2.gz WDQJDUXXOVFGBV-RNEXMXFGSA-N 0 0 186.251 1.513 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1NN 82860454 573245018 /nfs/dbraw/zinc/24/50/18/573245018.db2.gz BHJOSHCIUPTQQN-GJMOJQLCSA-N 0 0 142.246 1.274 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC[C@H](C)C[C@H]1C 82860479 573245411 /nfs/dbraw/zinc/24/54/11/573245411.db2.gz HNLFWJWBNVIPJV-QXFUBDJGSA-N 0 0 185.267 1.485 10 0 ADAERN COC(C)(C)[C@H](O)c1ccc(C)nc1 86072124 573245062 /nfs/dbraw/zinc/24/50/62/573245062.db2.gz NUAHZYTWYYVAIY-SNVBAGLBSA-N 0 0 195.262 1.848 10 0 ADAERN CC[C@H](O)[C@]1(C)CCOC1 238316009 573245065 /nfs/dbraw/zinc/24/50/65/573245065.db2.gz ZEVMJNUBTZNDKD-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)C[C@H]1C 82860478 573245073 /nfs/dbraw/zinc/24/50/73/573245073.db2.gz HNLFWJWBNVIPJV-NQMVMOMDSA-N 0 0 185.267 1.485 10 0 ADAERN COC(C)(C)[C@@H](O)C1CCOCC1 86072101 573245102 /nfs/dbraw/zinc/24/51/02/573245102.db2.gz IEYHSZDBSHRFBA-VIFPVBQESA-N 0 0 188.267 1.199 10 0 ADAERN CC[C@@H](C)[C@H](O)C(=O)NC1(C)CC1 308321382 573245110 /nfs/dbraw/zinc/24/51/10/573245110.db2.gz YSFHXCCWCLKKMM-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN C=C/C=C/C=C/CCO 222950832 573245117 /nfs/dbraw/zinc/24/51/17/573245117.db2.gz XBJGQVCAYKENFE-VNKDHWASSA-N 0 0 124.183 1.667 10 0 ADAERN CN/C=C/S(=O)(=O)c1ccccc1 238315065 573245118 /nfs/dbraw/zinc/24/51/18/573245118.db2.gz ZZTHEMFPQICLFF-BQYQJAHWSA-N 0 0 197.259 1.151 10 0 ADAERN CN1C[C@@H](C(C)(C)C)NC1=O 238316257 573245127 /nfs/dbraw/zinc/24/51/27/573245127.db2.gz WSINWFKCLCFZKQ-LURJTMIESA-N 0 0 156.229 1.056 10 0 ADAERN COC(C)(C)[C@H](O)C1CCOCC1 86072099 573245135 /nfs/dbraw/zinc/24/51/35/573245135.db2.gz IEYHSZDBSHRFBA-SECBINFHSA-N 0 0 188.267 1.199 10 0 ADAERN COC(C)(C)[C@H](O)c1cnccc1C 86071916 573245147 /nfs/dbraw/zinc/24/51/47/573245147.db2.gz JKVWXEHVUWJCQP-SNVBAGLBSA-N 0 0 195.262 1.848 10 0 ADAERN CON(C)Cc1ccc(N)cc1F 82864769 573245159 /nfs/dbraw/zinc/24/51/59/573245159.db2.gz BYUXTNSGDWIMCF-UHFFFAOYSA-N 0 0 184.214 1.401 10 0 ADAERN C[C@H]1OCC[C@@H]1OC(=O)CC1CC1 308320418 573245171 /nfs/dbraw/zinc/24/51/71/573245171.db2.gz YEFIVWANGYSUSR-APPZFPTMSA-N 0 0 184.235 1.507 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@](C(=O)[O-])([NH+](C)C)C1 82861614 573245179 /nfs/dbraw/zinc/24/51/79/573245179.db2.gz PKHWVMODFQOPKZ-KKZNHRDASA-N 0 0 199.294 1.828 10 0 ADAERN COC(C)(C)C(=O)c1ccco1 86071396 573245185 /nfs/dbraw/zinc/24/51/85/573245185.db2.gz BDIOYTKFLDQJOZ-UHFFFAOYSA-N 0 0 168.192 1.887 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]2(CC(=O)N2)C1 82862515 573245231 /nfs/dbraw/zinc/24/52/31/573245231.db2.gz BMRUYVPNTHLOID-NQMVMOMDSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1Nc2ccc(N)cc2SC1=O 259389208 573245241 /nfs/dbraw/zinc/24/52/41/573245241.db2.gz WPYDIMPVAVTVAP-RXMQYKEDSA-N 0 0 194.259 1.702 10 0 ADAERN CCC(CC)[C@]1(O)CO[C@@H](C)C1 401842472 573245261 /nfs/dbraw/zinc/24/52/61/573245261.db2.gz SFFBEMGCAGGRNU-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CCc1nc2nc(N)[nH]c(=S)c2[nH]1 116085639 573245270 /nfs/dbraw/zinc/24/52/70/573245270.db2.gz UQQLDMCXVOXILP-UHFFFAOYSA-N 0 0 195.251 1.160 10 0 ADAERN CC[C@H]([NH3+])c1ccc(C(=O)[O-])cc1N 238315291 573245278 /nfs/dbraw/zinc/24/52/78/573245278.db2.gz VONTYDFRYDHFOV-QMMMGPOBSA-N 0 0 194.234 1.377 10 0 ADAERN Nc1cc(F)ccc1Cn1ccnc1 82864594 573245306 /nfs/dbraw/zinc/24/53/06/573245306.db2.gz WUVDKCUJNRLYJB-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN COc1cccc(-c2c[nH][nH]c2=O)c1 258607735 573245333 /nfs/dbraw/zinc/24/53/33/573245333.db2.gz ARVIXKDYLLGJCF-UHFFFAOYSA-N 0 0 190.202 1.791 10 0 ADAERN CC[C@H](O)[C@H]1CCC[C@@H](C)C1=O 238315136 573245344 /nfs/dbraw/zinc/24/53/44/573245344.db2.gz OKNKGVYLGGJXOI-HLTSFMKQSA-N 0 0 170.252 1.763 10 0 ADAERN O=C(c1cccnc1)C1(CO)CC1 259047094 573245347 /nfs/dbraw/zinc/24/53/47/573245347.db2.gz BLJFFDGSSZZHNA-UHFFFAOYSA-N 0 0 177.203 1.037 10 0 ADAERN C[C@@H](CCCC[NH3+])CC(=O)[O-] 77954305 573245351 /nfs/dbraw/zinc/24/53/51/573245351.db2.gz CQRZLGZCTXPDBD-ZETCQYMHSA-N 0 0 159.229 1.226 10 0 ADAERN CCc1nn([C@@H](C)[C@H](C)OC)cc1N 716630069 573245373 /nfs/dbraw/zinc/24/53/73/573245373.db2.gz MXUFCIFQWLMBOQ-YUMQZZPRSA-N 0 0 197.282 1.624 10 0 ADAERN COC(C)(C)[C@@H](O)c1cncc(F)c1 86072408 573246475 /nfs/dbraw/zinc/24/64/75/573246475.db2.gz BWSSELBDFJMYKG-VIFPVBQESA-N 0 0 199.225 1.679 10 0 ADAERN Cc1ccccc1C[C@@H]1COC[C@@H]1O 687957740 573246477 /nfs/dbraw/zinc/24/64/77/573246477.db2.gz BJGODEXJBWXRIY-NEPJUHHUSA-N 0 0 192.258 1.545 10 0 ADAERN CNc1ccc2c(c1)C(=O)CCO2 238317309 573246479 /nfs/dbraw/zinc/24/64/79/573246479.db2.gz LHJNXJCHPPNQNF-UHFFFAOYSA-N 0 0 177.203 1.694 10 0 ADAERN Clc1nccc2c1CCOC2 258609595 573246083 /nfs/dbraw/zinc/24/60/83/573246083.db2.gz VSPPZAMZGMKUHZ-UHFFFAOYSA-N 0 0 169.611 1.808 10 0 ADAERN CN(C)c1cccc(/C=C/CO)c1 238316487 573246085 /nfs/dbraw/zinc/24/60/85/573246085.db2.gz ZENFBNRHNJBNQS-GQCTYLIASA-N 0 0 177.247 1.758 10 0 ADAERN OC[C@H]1CCc2cccc(O)c21 258609446 573246089 /nfs/dbraw/zinc/24/60/89/573246089.db2.gz VQLAPXQQERSJDL-MRVPVSSYSA-N 0 0 164.204 1.414 10 0 ADAERN C[C@@H](CO)c1cccc2c1CC(=O)N2 257977234 573246090 /nfs/dbraw/zinc/24/60/90/573246090.db2.gz DMDQGIBYPVXWRW-ZETCQYMHSA-N 0 0 191.230 1.277 10 0 ADAERN COCc1ccc(F)cc1N 82864642 573246101 /nfs/dbraw/zinc/24/61/01/573246101.db2.gz OIQGZNDHXCJRTD-UHFFFAOYSA-N 0 0 155.172 1.554 10 0 ADAERN COC(C)(C)[C@H](O)C1CCCC1 86072136 573246126 /nfs/dbraw/zinc/24/61/26/573246126.db2.gz BQPRXYUQQYXOAX-SECBINFHSA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@H](O)Cn1cnc(C2CC2)n1 308523512 573246132 /nfs/dbraw/zinc/24/61/32/573246132.db2.gz ZKLPNJLSIOTTKQ-VIFPVBQESA-N 0 0 195.266 1.317 10 0 ADAERN C[NH2+]C(C)(C)c1nc(C(C)C)c[nH]1 259042901 573246155 /nfs/dbraw/zinc/24/61/55/573246155.db2.gz HVOHLECNCJDNQP-UHFFFAOYSA-N 0 0 181.283 1.988 10 0 ADAERN COc1c(N)nc(Cl)nc1Cl 116065763 573246157 /nfs/dbraw/zinc/24/61/57/573246157.db2.gz JSJLCTWJWSCECS-UHFFFAOYSA-N 0 0 194.021 1.374 10 0 ADAERN C[C@@H]1CC[C@@]([NH3+])(C(=O)[O-])[C@H](C)C1 82860468 573246450 /nfs/dbraw/zinc/24/64/50/573246450.db2.gz QNFVJILUAHVTMA-BHNWBGBOSA-N 0 0 171.240 1.225 10 0 ADAERN CN(C)c1ccccc1C1COC1 238316904 573246452 /nfs/dbraw/zinc/24/64/52/573246452.db2.gz SBHCKWXZYILAPQ-UHFFFAOYSA-N 0 0 177.247 1.866 10 0 ADAERN C[C@@H]1CC[C@]2(CC(=O)N2)[C@H](C)C1 82862523 573246208 /nfs/dbraw/zinc/24/62/08/573246208.db2.gz BJLDLUWBLRYMTE-MRTMQBJTSA-N 0 0 167.252 1.701 10 0 ADAERN C=Cc1nc(C(C)(C)OC)no1 86070817 573246215 /nfs/dbraw/zinc/24/62/15/573246215.db2.gz IENZYRXYZBGNON-UHFFFAOYSA-N 0 0 168.196 1.594 10 0 ADAERN O=Cc1ccc2c(c1)OCCN2 116124444 573246220 /nfs/dbraw/zinc/24/62/20/573246220.db2.gz DJANLTLBMCHTCK-UHFFFAOYSA-N 0 0 163.176 1.303 10 0 ADAERN CC[C@H]1NC(=O)c2ccccc2N1C 238317485 573246227 /nfs/dbraw/zinc/24/62/27/573246227.db2.gz OBLFFOJSCYOVDO-JTQLQIEISA-N 0 0 190.246 1.602 10 0 ADAERN COC(=O)[C@H]1SCc2oncc21 259604376 573246271 /nfs/dbraw/zinc/24/62/71/573246271.db2.gz DEISUXQTXJPDBO-LURJTMIESA-N 0 0 185.204 1.136 10 0 ADAERN CCOC(=O)c1cc2ncn(C)c2[nH]1 116120761 573246331 /nfs/dbraw/zinc/24/63/31/573246331.db2.gz PWABFXZWDMWLSL-UHFFFAOYSA-N 0 0 193.206 1.078 10 0 ADAERN CN[C@]1(C(=O)OC)CCC[C@H](C)[C@H]1C 82860579 573246374 /nfs/dbraw/zinc/24/63/74/573246374.db2.gz DVGPGODGYQGSHS-IQJOONFLSA-N 0 0 199.294 1.574 10 0 ADAERN OCCc1cccc(N2C=NCC2)c1 257977231 573246380 /nfs/dbraw/zinc/24/63/80/573246380.db2.gz DMCAPCDMISZZJW-UHFFFAOYSA-N 0 0 190.246 1.070 10 0 ADAERN C[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])[C@@H]1C 82860470 573246382 /nfs/dbraw/zinc/24/63/82/573246382.db2.gz LIKWIJXGSRKQTG-ZXFLCMHBSA-N 0 0 171.240 1.225 10 0 ADAERN CN1C(=O)CCC2=C1CC[C@@H](O)C2 238317503 573246418 /nfs/dbraw/zinc/24/64/18/573246418.db2.gz ARZBALLMBUPUMZ-MRVPVSSYSA-N 0 0 181.235 1.038 10 0 ADAERN Cc1noc(NCCOC(C)(C)C)n1 308524026 573246424 /nfs/dbraw/zinc/24/64/24/573246424.db2.gz AXLIKBCQKLLDGL-UHFFFAOYSA-N 0 0 199.254 1.605 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]([NH3+])(C(=O)[O-])C1 82860464 573246430 /nfs/dbraw/zinc/24/64/30/573246430.db2.gz SWWHJYPSZMJOJT-BHNWBGBOSA-N 0 0 171.240 1.225 10 0 ADAERN CCC(=O)[C@@H](C)n1cnc(C(C)C)n1 308523196 573248000 /nfs/dbraw/zinc/24/80/00/573248000.db2.gz ZCPSFAZVUBTZAT-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN CNC(=O)[C@@H]1O[C@@H]1C1CCCCC1 238317289 573248092 /nfs/dbraw/zinc/24/80/92/573248092.db2.gz NDVVHSCKZIFYNO-RKDXNWHRSA-N 0 0 183.251 1.080 10 0 ADAERN NNCc1ccn(C2CCCCC2)n1 82867288 573247868 /nfs/dbraw/zinc/24/78/68/573247868.db2.gz JUWYTPQHOQSPAB-UHFFFAOYSA-N 0 0 194.282 1.352 10 0 ADAERN CNc1ccc2c(c1)CCC(=O)C2 238316961 573247869 /nfs/dbraw/zinc/24/78/69/573247869.db2.gz URTBNUBCFPWNNF-UHFFFAOYSA-N 0 0 175.231 1.786 10 0 ADAERN COC(C)(C)[C@@H](O)c1cccnc1 86072184 573247871 /nfs/dbraw/zinc/24/78/71/573247871.db2.gz DDWUNQUQMXEVAE-VIFPVBQESA-N 0 0 181.235 1.540 10 0 ADAERN CC[C@H]1NC(=O)[C@@H](c2ccccc2)O1 238317304 573247875 /nfs/dbraw/zinc/24/78/75/573247875.db2.gz VFHRZGKOZRIKJU-VHSXEESVSA-N 0 0 191.230 1.610 10 0 ADAERN Cc1ccc2c(C=O)onc2c1 258609620 573247938 /nfs/dbraw/zinc/24/79/38/573247938.db2.gz VSXIJOJAKGQZGI-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CC[C@@H](C[N@H+](C)CC1CCC1)C(=O)[O-] 259048832 573247959 /nfs/dbraw/zinc/24/79/59/573247959.db2.gz RYKRXPWXGWBPQM-JTQLQIEISA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)[C@H](C)C[N@@H+]1CCC[C@@H]1C(=O)[O-] 308523157 573247963 /nfs/dbraw/zinc/24/79/63/573247963.db2.gz VJICGURTXNVAGD-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN C/C=C(\C)C(=O)OCCC1(O)CC1 308321789 573247964 /nfs/dbraw/zinc/24/79/64/573247964.db2.gz ZAXPCGZKPKOXCM-FPYGCLRLSA-N 0 0 184.235 1.411 10 0 ADAERN C/C=C/C(=O)OC[C@@H]1CC[C@H](C)O1 308322650 573247985 /nfs/dbraw/zinc/24/79/85/573247985.db2.gz ZQABEUNZVCHZTN-FBFNWGNUSA-N 0 0 184.235 1.673 10 0 ADAERN Cc1cc(N)ccc1N(C)[C@H](C)CO 123906558 573248044 /nfs/dbraw/zinc/24/80/44/573248044.db2.gz PYXNIBQZIKDLAJ-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN CCC[C@@H](O)Cn1cnc(C2CC2)n1 308523511 573248056 /nfs/dbraw/zinc/24/80/56/573248056.db2.gz ZKLPNJLSIOTTKQ-SECBINFHSA-N 0 0 195.266 1.317 10 0 ADAERN Nc1n[nH]cc1-c1cccc(F)c1O 257977225 573248138 /nfs/dbraw/zinc/24/81/38/573248138.db2.gz DLZCXQOUODMRBK-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN COC(=O)C1=C[C@@H]2CCCC[C@H]2[C@@H]1O 238316497 573248140 /nfs/dbraw/zinc/24/81/40/573248140.db2.gz ZFBWXXJVYATQAC-XKSSXDPKSA-N 0 0 196.246 1.267 10 0 ADAERN CNc1ccc([C@H]2CNC(=O)C2)cc1 238316380 573248150 /nfs/dbraw/zinc/24/81/50/573248150.db2.gz HTPPQXQUYRGUOR-SECBINFHSA-N 0 0 190.246 1.332 10 0 ADAERN Cc1ccc2c(c1CCO)OCCO2 257977178 573249148 /nfs/dbraw/zinc/24/91/48/573249148.db2.gz DLJIXXAINSSIHD-UHFFFAOYSA-N 0 0 194.230 1.301 10 0 ADAERN CNc1cnnc(C2CCCC2)n1 259052102 573248194 /nfs/dbraw/zinc/24/81/94/573248194.db2.gz DALFWPPJGOAXPF-UHFFFAOYSA-N 0 0 178.239 1.571 10 0 ADAERN COC(C)(C)[C@H](O)C1CC1 86072489 573248203 /nfs/dbraw/zinc/24/82/03/573248203.db2.gz NWNXYWWWBFCPJP-SSDOTTSWSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@H]1COC[C@H]1CC(C)=O 238317201 573248235 /nfs/dbraw/zinc/24/82/35/573248235.db2.gz FTQIVGNSNVHYJH-DTWKUNHWSA-N 0 0 156.225 1.638 10 0 ADAERN COCCc1nnc2n1CCC[C@H]2C 258248013 573248245 /nfs/dbraw/zinc/24/82/45/573248245.db2.gz MGIOGUXSWXDEEW-MRVPVSSYSA-N 0 0 195.266 1.364 10 0 ADAERN COC(C)(C)[C@@H](O)c1cccnc1N 86072441 573248247 /nfs/dbraw/zinc/24/82/47/573248247.db2.gz OXWBDGCMRMDSCX-QMMMGPOBSA-N 0 0 196.250 1.122 10 0 ADAERN CNc1nc(-c2cc[nH]c2)co1 259047676 573248250 /nfs/dbraw/zinc/24/82/50/573248250.db2.gz GCBJLPIRBRDVJN-UHFFFAOYSA-N 0 0 163.180 1.711 10 0 ADAERN Cc1nc([C@H](C)N[C@@H](C)CO)co1 308321633 573248269 /nfs/dbraw/zinc/24/82/69/573248269.db2.gz BNXIMBYHDMKTES-BQBZGAKWSA-N 0 0 184.239 1.014 10 0 ADAERN Cc1ccccc1C[C@@H]1COC[C@H]1O 687957743 573248317 /nfs/dbraw/zinc/24/83/17/573248317.db2.gz BJGODEXJBWXRIY-VXGBXAGGSA-N 0 0 192.258 1.545 10 0 ADAERN CCC[C@H](C)Cn1ccnc(C)c1=O 308523193 573248340 /nfs/dbraw/zinc/24/83/40/573248340.db2.gz ZCNICWPRZCUUKE-VIFPVBQESA-N 0 0 194.278 1.988 10 0 ADAERN CC(C)n1ccc(C[C@H](C)O)n1 82866711 573248345 /nfs/dbraw/zinc/24/83/45/573248345.db2.gz BWYQHLJBFUXRRJ-QMMMGPOBSA-N 0 0 168.240 1.387 10 0 ADAERN OCCCc1ccc2c[nH]nc2c1 257977351 573248360 /nfs/dbraw/zinc/24/83/60/573248360.db2.gz JDMFUHNOJQHTFV-UHFFFAOYSA-N 0 0 176.219 1.488 10 0 ADAERN CNC(=O)OCc1ccc(F)cc1 197782109 573248367 /nfs/dbraw/zinc/24/83/67/573248367.db2.gz YNTUQNWLWJYJFB-UHFFFAOYSA-N 0 0 183.182 1.682 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@H](C2CCCC2)C[NH2+]1 258248225 573248385 /nfs/dbraw/zinc/24/83/85/573248385.db2.gz QKXAOPUEHOYBHM-GXSJLCMTSA-N 0 0 197.278 1.629 10 0 ADAERN C/C=C(/C)C(=O)OCCC1(O)CC1 308321788 573248451 /nfs/dbraw/zinc/24/84/51/573248451.db2.gz ZAXPCGZKPKOXCM-BAQGIRSFSA-N 0 0 184.235 1.411 10 0 ADAERN CCC(C)(C)CNc1nnc(CO)o1 308523675 573248419 /nfs/dbraw/zinc/24/84/19/573248419.db2.gz QAJIGWJDQTVBMA-UHFFFAOYSA-N 0 0 199.254 1.410 10 0 ADAERN COCCc1nnc2n1[C@@H](C)CCC2 258248034 573248421 /nfs/dbraw/zinc/24/84/21/573248421.db2.gz MGMHOXXGHNSBIO-QMMMGPOBSA-N 0 0 195.266 1.364 10 0 ADAERN CC[C@@H](C(=O)OC)C(=O)c1ccc[nH]1 259049987 573248422 /nfs/dbraw/zinc/24/84/22/573248422.db2.gz DSTBKCGKYAGFFX-SSDOTTSWSA-N 0 0 195.218 1.397 10 0 ADAERN COC(C)(C)c1nc(C)c(C)c(N)n1 86075024 573248440 /nfs/dbraw/zinc/24/84/40/573248440.db2.gz KPWVXCPYLLOTEA-UHFFFAOYSA-N 0 0 195.266 1.557 10 0 ADAERN c1ccc(O[C@H]2CCOC2)cc1 82865087 573248442 /nfs/dbraw/zinc/24/84/42/573248442.db2.gz LJIQYDIZTXLQRR-JTQLQIEISA-N 0 0 164.204 1.854 10 0 ADAERN Cc1c(N)cccc1N(C)[C@@H](C)CO 123904414 573248452 /nfs/dbraw/zinc/24/84/52/573248452.db2.gz IYDOVEXZQMMEKB-QMMMGPOBSA-N 0 0 194.278 1.394 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)CSC 689939192 573248516 /nfs/dbraw/zinc/24/85/16/573248516.db2.gz DCCHLOHDMPEFGF-HTRCEHHLSA-N 0 0 174.265 1.344 10 0 ADAERN CCCNC(C)=CC(=O)OC(C)C 212544373 573248521 /nfs/dbraw/zinc/24/85/21/573248521.db2.gz MHZGVGWJOWIWFL-VQHVLOKHSA-N 0 0 185.267 1.841 10 0 ADAERN COc1cccc2c(CON)coc12 258245228 573248539 /nfs/dbraw/zinc/24/85/39/573248539.db2.gz QZDGNQNXURCRNT-UHFFFAOYSA-N 0 0 193.202 1.832 10 0 ADAERN CCc1nnc2[nH]c3ccccc3n12 238317050 573248545 /nfs/dbraw/zinc/24/85/45/573248545.db2.gz BVZXEOLZMQAUJI-UHFFFAOYSA-N 0 0 186.218 1.773 10 0 ADAERN c1n[nH]cc1OC[C@@H]1CCCOC1 258609359 573248546 /nfs/dbraw/zinc/24/85/46/573248546.db2.gz QWTNDISRGSFXNF-MRVPVSSYSA-N 0 0 182.223 1.215 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@H](C2CCCC2)C[NH2+]1 258248228 573248547 /nfs/dbraw/zinc/24/85/47/573248547.db2.gz QKXAOPUEHOYBHM-ONGXEEELSA-N 0 0 197.278 1.629 10 0 ADAERN CC[C@H](O)/C=C(/Cl)C[C@@H](C)O 238316400 573248583 /nfs/dbraw/zinc/24/85/83/573248583.db2.gz MPLCXFZLZFRSQZ-AFEINUPNSA-N 0 0 178.659 1.651 10 0 ADAERN COc1ccnc(C(C)(C)O)c1 259391824 573248590 /nfs/dbraw/zinc/24/85/90/573248590.db2.gz RJQBKUHKHFZEPW-UHFFFAOYSA-N 0 0 167.208 1.318 10 0 ADAERN COCCc1nnc2n1CCC[C@@H]2C 258248018 573248592 /nfs/dbraw/zinc/24/85/92/573248592.db2.gz MGIOGUXSWXDEEW-QMMMGPOBSA-N 0 0 195.266 1.364 10 0 ADAERN CC[C@H](C)N(OC)C(=O)NC(C)C 308322040 573248633 /nfs/dbraw/zinc/24/86/33/573248633.db2.gz ZIQALNRUNHQJOC-QMMMGPOBSA-N 0 0 188.271 1.766 10 0 ADAERN CN(C)c1cccc2c1[C@H]([NH3+])CC2=O 238316532 573248644 /nfs/dbraw/zinc/24/86/44/573248644.db2.gz LJLFSKOYWDQZHE-MRVPVSSYSA-N 0 0 190.246 1.339 10 0 ADAERN COC(C)(C)c1noc([C@H](C)O)n1 86075447 573248672 /nfs/dbraw/zinc/24/86/72/573248672.db2.gz MKALHCIZZYJVQK-YFKPBYRVSA-N 0 0 186.211 1.004 10 0 ADAERN O[C@@H]1CCCN(c2ccc(F)cc2)C1 259392711 573248695 /nfs/dbraw/zinc/24/86/95/573248695.db2.gz QXSUOWBSZORDQN-LLVKDONJSA-N 0 0 195.237 1.787 10 0 ADAERN CNC(=O)[C@@H]1O[C@H]1C1CCCCC1 238317409 573248727 /nfs/dbraw/zinc/24/87/27/573248727.db2.gz NDVVHSCKZIFYNO-DTWKUNHWSA-N 0 0 183.251 1.080 10 0 ADAERN CNc1ccc2c(c1)OCCC2=O 238316896 573248750 /nfs/dbraw/zinc/24/87/50/573248750.db2.gz YWWLEQUBKHPQCN-UHFFFAOYSA-N 0 0 177.203 1.694 10 0 ADAERN CC[C@H](C)NC(=O)C[C@H](O)C(C)C 308322616 573248758 /nfs/dbraw/zinc/24/87/58/573248758.db2.gz ZORUHGDISGLFRN-IUCAKERBSA-N 0 0 187.283 1.308 10 0 ADAERN CCc1ccnc(OC)c1N 238317572 573248766 /nfs/dbraw/zinc/24/87/66/573248766.db2.gz UKRSDPCJECPODF-UHFFFAOYSA-N 0 0 152.197 1.235 10 0 ADAERN COc1c(CON)cccc1SC 258247660 573248786 /nfs/dbraw/zinc/24/87/86/573248786.db2.gz XHOFEDZHGINHEH-UHFFFAOYSA-N 0 0 199.275 1.807 10 0 ADAERN C[C@H]1CC[C@@H](O)[C@H](C(C)(C)C)O1 197791839 573248809 /nfs/dbraw/zinc/24/88/09/573248809.db2.gz MCRGTUNJKWOJPN-DJLDLDEBSA-N 0 0 172.268 1.961 10 0 ADAERN Cc1noc(N[C@@H](C)[C@H]2CCOC2)n1 235551763 573248817 /nfs/dbraw/zinc/24/88/17/573248817.db2.gz SYZBOWMUIGSBKY-XPUUQOCRSA-N 0 0 197.238 1.215 10 0 ADAERN O=C([O-])CCC[N@@H+]1C[C@@H]2CCCC[C@H]21 308522320 573248831 /nfs/dbraw/zinc/24/88/31/573248831.db2.gz PIVZWZGMCRVQRB-VHSXEESVSA-N 0 0 197.278 1.726 10 0 ADAERN COC(C)(C)c1nc(C)c(F)c(N)n1 86075067 573248868 /nfs/dbraw/zinc/24/88/68/573248868.db2.gz QXUWQJZGOOKAGK-UHFFFAOYSA-N 0 0 199.229 1.388 10 0 ADAERN O=Cc1cnoc1C[C@@H]1CCOC1 259393391 573248901 /nfs/dbraw/zinc/24/89/01/573248901.db2.gz WVVRQUIGUZQXPS-ZETCQYMHSA-N 0 0 181.191 1.066 10 0 ADAERN CCNc1ccnc(C(C)(C)OC)n1 86075042 573248931 /nfs/dbraw/zinc/24/89/31/573248931.db2.gz YFFDEHCSGOLDDX-UHFFFAOYSA-N 0 0 195.266 1.790 10 0 ADAERN CNc1ccc2c(c1)COCC2=O 238316908 573248941 /nfs/dbraw/zinc/24/89/41/573248941.db2.gz SCBYYQRWRQAILG-UHFFFAOYSA-N 0 0 177.203 1.441 10 0 ADAERN Cc1ccc(C(=O)[C@H](C)O)cc1C 105286002 573248948 /nfs/dbraw/zinc/24/89/48/573248948.db2.gz XMOVXMONLMFXOD-VIFPVBQESA-N 0 0 178.231 1.867 10 0 ADAERN Cc1ccccc1C[C@H]1COC[C@H]1O 687957741 573248965 /nfs/dbraw/zinc/24/89/65/573248965.db2.gz BJGODEXJBWXRIY-NWDGAFQWSA-N 0 0 192.258 1.545 10 0 ADAERN CCN(CC)c1ccc(O)c(N)c1 222957752 573248983 /nfs/dbraw/zinc/24/89/83/573248983.db2.gz CQGQGDZUTPNTPG-UHFFFAOYSA-N 0 0 180.251 1.821 10 0 ADAERN COC(C)(C)[C@H](O)c1cncc(F)c1 86072407 573248986 /nfs/dbraw/zinc/24/89/86/573248986.db2.gz BWSSELBDFJMYKG-SECBINFHSA-N 0 0 199.225 1.679 10 0 ADAERN COC(C)(C)c1ncc(C=O)cn1 86075198 573249003 /nfs/dbraw/zinc/24/90/03/573249003.db2.gz OCLFQUZBBAIMAX-UHFFFAOYSA-N 0 0 180.207 1.171 10 0 ADAERN CN(CC(N)=O)c1ccc(Cl)cc1 238316601 573249004 /nfs/dbraw/zinc/24/90/04/573249004.db2.gz BNIGCGIVKHCNFF-UHFFFAOYSA-N 0 0 198.653 1.262 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@@H](C2CCCC2)C[NH2+]1 258248226 573249005 /nfs/dbraw/zinc/24/90/05/573249005.db2.gz QKXAOPUEHOYBHM-KOLCDFICSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1ccc(O)c2c1cnn2C 258609531 573249008 /nfs/dbraw/zinc/24/90/08/573249008.db2.gz VRJBAMWHWJSKGK-UHFFFAOYSA-N 0 0 162.192 1.587 10 0 ADAERN C[C@H](O)[C@@H](C)S[C@@H]1CCC[C@H]1O 235557431 573249013 /nfs/dbraw/zinc/24/90/13/573249013.db2.gz OPBBQCFLFRBRNT-JQCXWYLXSA-N 0 0 190.308 1.402 10 0 ADAERN Cc1ccc2c(c1)C[C@@H]2CO 258609455 573249015 /nfs/dbraw/zinc/24/90/15/573249015.db2.gz VQNJBIZCZIWPIG-SECBINFHSA-N 0 0 148.205 1.627 10 0 ADAERN C[C@H](F)C(=O)[C@@H](C)F 116188704 573249025 /nfs/dbraw/zinc/24/90/25/573249025.db2.gz GFVWXVJEUISAQT-ZXZARUISSA-N 0 0 122.114 1.272 10 0 ADAERN CCOCc1coc(C)n1 258247826 573249039 /nfs/dbraw/zinc/24/90/39/573249039.db2.gz RBDKJGYFVOCCBD-UHFFFAOYSA-N 0 0 141.170 1.520 10 0 ADAERN CC(=O)Oc1ccn2ccccc12 116138935 573249047 /nfs/dbraw/zinc/24/90/47/573249047.db2.gz DNSNHOUTDMDJLJ-UHFFFAOYSA-N 0 0 175.187 1.865 10 0 ADAERN COCCc1ncc2n1CC[C@@H](C)C2 258245271 573249051 /nfs/dbraw/zinc/24/90/51/573249051.db2.gz MEAWYCOJONYFJA-SECBINFHSA-N 0 0 194.278 1.654 10 0 ADAERN C/C=C/C(=O)NC[C@@H]1C[C@@H]1C1CC1 308321812 573249068 /nfs/dbraw/zinc/24/90/68/573249068.db2.gz ZBRLVWJIRDVHDE-MDCNRGEUSA-N 0 0 179.263 1.725 10 0 ADAERN CCCC1(CN[C@@H]2CCOC2=O)CC1 308523081 573249070 /nfs/dbraw/zinc/24/90/70/573249070.db2.gz PUGKHCZDHKVNKN-SECBINFHSA-N 0 0 197.278 1.472 10 0 ADAERN CN(CNN)c1ccc(Cl)s1 259048422 573249114 /nfs/dbraw/zinc/24/91/14/573249114.db2.gz JVLODXGMNDHYJA-UHFFFAOYSA-N 0 0 191.687 1.259 10 0 ADAERN CC1(C)Nc2ccc(F)cc2OC1=O 259393383 573249120 /nfs/dbraw/zinc/24/91/20/573249120.db2.gz WVTLPBHCXYIPPD-UHFFFAOYSA-N 0 0 195.193 1.935 10 0 ADAERN Cc1cc(N(C)C)cc(C(=O)[O-])n1 116138770 573249129 /nfs/dbraw/zinc/24/91/29/573249129.db2.gz CQMOEANOFLUBND-UHFFFAOYSA-N 0 0 180.207 1.154 10 0 ADAERN COC(C)(C)c1ncc(CO)s1 86075628 573249136 /nfs/dbraw/zinc/24/91/36/573249136.db2.gz PXGADISUIOYFFB-UHFFFAOYSA-N 0 0 187.264 1.517 10 0 ADAERN Cn1nccc1-c1ccc2[nH]cnc2c1 259048243 573249986 /nfs/dbraw/zinc/24/99/86/573249986.db2.gz ALKJABGFZCEIIE-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CC(C)CC(C)(C)C[NH2+]CC(=O)[O-] 230458106 573249791 /nfs/dbraw/zinc/24/97/91/573249791.db2.gz KKXHJTDIADHIJP-UHFFFAOYSA-N 0 0 187.283 1.733 10 0 ADAERN Cn1ccc(C[C@@H]2CCCC2=O)n1 123909276 573249805 /nfs/dbraw/zinc/24/98/05/573249805.db2.gz RUFXPMUSVIQFBM-QMMMGPOBSA-N 0 0 178.235 1.332 10 0 ADAERN CCOC(=O)/C=C\COC(C)(C)C 212649050 573249812 /nfs/dbraw/zinc/24/98/12/573249812.db2.gz QWEPDWNBBPQCQK-SREVYHEPSA-N 0 0 186.251 1.921 10 0 ADAERN COCCc1nnc2n1[C@H](C)CCC2 258248030 573249813 /nfs/dbraw/zinc/24/98/13/573249813.db2.gz MGMHOXXGHNSBIO-MRVPVSSYSA-N 0 0 195.266 1.364 10 0 ADAERN CN1CC[C@@H](Oc2ccccc2)C1=O 82865090 573249843 /nfs/dbraw/zinc/24/98/43/573249843.db2.gz XCBYXBCKERXNRC-SNVBAGLBSA-N 0 0 191.230 1.296 10 0 ADAERN 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177.203 1.701 10 0 ADAERN C[C@H](OCC(F)(F)F)C(=O)N(C)C 308322781 573250054 /nfs/dbraw/zinc/25/00/54/573250054.db2.gz COKCKDNLAZVROL-YFKPBYRVSA-N 0 0 199.172 1.042 10 0 ADAERN CCc1cc(NCNN)ccc1OC 259050456 573250073 /nfs/dbraw/zinc/25/00/73/573250073.db2.gz JYLLEEGSJLBOQU-UHFFFAOYSA-N 0 0 195.266 1.090 10 0 ADAERN CNc1nc(=S)sc(=S)[nH]1 238317149 573250104 /nfs/dbraw/zinc/25/01/04/573250104.db2.gz HGVNXOOPDCIRCS-UHFFFAOYSA-N 0 0 191.306 1.394 10 0 ADAERN Cc1cc(F)c(C(=O)[C@H](C)N)s1 257768971 573250127 /nfs/dbraw/zinc/25/01/27/573250127.db2.gz GVUAWHLDCMELDZ-YFKPBYRVSA-N 0 0 187.239 1.726 10 0 ADAERN CCc1ccnc(C[C@H](C)O)c1 259048605 573250144 /nfs/dbraw/zinc/25/01/44/573250144.db2.gz AUWKFSHIEGZEIS-QMMMGPOBSA-N 0 0 165.236 1.567 10 0 ADAERN C[N@@H+]1CCC[C@@H]1c1oncc1N 257983539 573250177 /nfs/dbraw/zinc/25/01/77/573250177.db2.gz BEERPNAQLRCVRI-SSDOTTSWSA-N 0 0 167.212 1.024 10 0 ADAERN CCNc1nc(C(C)(C)OC)no1 86075182 573250779 /nfs/dbraw/zinc/25/07/79/573250779.db2.gz CYDKAWJCYMRPQX-UHFFFAOYSA-N 0 0 185.227 1.383 10 0 ADAERN CC[C@H](C)NC(=O)C[C@@H](O)C(C)C 308322615 573250796 /nfs/dbraw/zinc/25/07/96/573250796.db2.gz ZORUHGDISGLFRN-DTWKUNHWSA-N 0 0 187.283 1.308 10 0 ADAERN C/C=C\C(=O)NC[C@@H]1C[C@@H]1C1CC1 308321813 573250782 /nfs/dbraw/zinc/25/07/82/573250782.db2.gz ZBRLVWJIRDVHDE-YLBDSCSXSA-N 0 0 179.263 1.725 10 0 ADAERN COC(C)(C)c1noc(C(C)=O)n1 86075404 573251179 /nfs/dbraw/zinc/25/11/79/573251179.db2.gz BIQROQOKRHBWTB-UHFFFAOYSA-N 0 0 184.195 1.154 10 0 ADAERN CC[C@@H](O)COc1ccc(O)cc1 257983576 573250790 /nfs/dbraw/zinc/25/07/90/573250790.db2.gz CTQSSNVKQPPLPZ-MRVPVSSYSA-N 0 0 182.219 1.542 10 0 ADAERN CN1CC[C@H](Oc2ccccc2)C1=O 82865089 573250810 /nfs/dbraw/zinc/25/08/10/573250810.db2.gz XCBYXBCKERXNRC-JTQLQIEISA-N 0 0 191.230 1.296 10 0 ADAERN COc1nc(-c2cc[nH]c2)c[nH]1 259048945 573250814 /nfs/dbraw/zinc/25/08/14/573250814.db2.gz IHTQVWZNGOABMP-UHFFFAOYSA-N 0 0 163.180 1.413 10 0 ADAERN C[C@@]12NC(=O)[C@H]1CCc1ccccc12 197252228 573250794 /nfs/dbraw/zinc/25/07/94/573250794.db2.gz IVJNJASQZJFGQM-PWSUYJOCSA-N 0 0 187.242 1.594 10 0 ADAERN Cc1nc([C@@H](C)N[C@@H](C)CO)co1 308321634 573250765 /nfs/dbraw/zinc/25/07/65/573250765.db2.gz BNXIMBYHDMKTES-NKWVEPMBSA-N 0 0 184.239 1.014 10 0 ADAERN COC(C)(C)[C@H](O)c1ccco1 86072601 573250773 /nfs/dbraw/zinc/25/07/73/573250773.db2.gz XGTYVBPJMQRBCV-MRVPVSSYSA-N 0 0 170.208 1.738 10 0 ADAERN CC[C@H]1N[C@H](c2ccccc2)NC1=O 238318327 573251475 /nfs/dbraw/zinc/25/14/75/573251475.db2.gz LCTWBGNVPCGVNI-ZJUUUORDSA-N 0 0 190.246 1.183 10 0 ADAERN C=COCCOC(=O)C1CCCC1 308326076 573251068 /nfs/dbraw/zinc/25/10/68/573251068.db2.gz GABJJKVWQCPMEI-UHFFFAOYSA-N 0 0 184.235 1.880 10 0 ADAERN COC(=O)C(C)(C)c1nccc(C)n1 259048603 573251071 /nfs/dbraw/zinc/25/10/71/573251071.db2.gz IWYTYOBWZZORGB-UHFFFAOYSA-N 0 0 194.234 1.236 10 0 ADAERN CC[C@H](C[N@H+](C)CC1CCC1)C(=O)[O-] 259048834 573251128 /nfs/dbraw/zinc/25/11/28/573251128.db2.gz RYKRXPWXGWBPQM-SNVBAGLBSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1ccc([C@H]2COC(=O)N2)cn1 116178728 573251129 /nfs/dbraw/zinc/25/11/29/573251129.db2.gz QYTQLSKEJLRETG-MRVPVSSYSA-N 0 0 178.191 1.171 10 0 ADAERN COC[NH2+]Cc1ccc2c(c1)CCC2 259048307 573251149 /nfs/dbraw/zinc/25/11/49/573251149.db2.gz JSXHQRYVABGIKY-UHFFFAOYSA-N 0 0 191.274 1.869 10 0 ADAERN C/C=C\C(=O)OC[C@@H]1CC[C@H](C)O1 308322651 573251175 /nfs/dbraw/zinc/25/11/75/573251175.db2.gz ZQABEUNZVCHZTN-HIYAPSCVSA-N 0 0 184.235 1.673 10 0 ADAERN O=C1Nc2ncccc2C12CC=CC2 116170501 573251178 /nfs/dbraw/zinc/25/11/78/573251178.db2.gz JQPJHJWCHCNDDX-UHFFFAOYSA-N 0 0 186.214 1.622 10 0 ADAERN NN1CCCCc2ccccc21 116202662 573251187 /nfs/dbraw/zinc/25/11/87/573251187.db2.gz HCWGVNIANUSPGJ-UHFFFAOYSA-N 0 0 162.236 1.703 10 0 ADAERN CCCC(=O)N1CCC[C@H](O)C1(C)C 259047862 573251192 /nfs/dbraw/zinc/25/11/92/573251192.db2.gz GQBCYTPDVIDTRJ-VIFPVBQESA-N 0 0 199.294 1.548 10 0 ADAERN O=C1[C@@H](F)CCC[C@H]1F 116196850 573251212 /nfs/dbraw/zinc/25/12/12/573251212.db2.gz NONCMCAEWUAYGU-SYDPRGILSA-N 0 0 134.125 1.416 10 0 ADAERN O=C1[C@@H](F)CCC[C@@H]1F 116196853 573251216 /nfs/dbraw/zinc/25/12/16/573251216.db2.gz NONCMCAEWUAYGU-WHFBIAKZSA-N 0 0 134.125 1.416 10 0 ADAERN COC(C)(C)c1ncc(C=O)s1 86074757 573251224 /nfs/dbraw/zinc/25/12/24/573251224.db2.gz DVYNISYXFGBEJS-UHFFFAOYSA-N 0 0 185.248 1.837 10 0 ADAERN C[C@@H]1CN(C)c2ccc(CCO)cc21 258246900 573251232 /nfs/dbraw/zinc/25/12/32/573251232.db2.gz XOFKTHNJZGKVNM-SECBINFHSA-N 0 0 191.274 1.775 10 0 ADAERN CC(C)CC(=O)N1C[C@@H](O)CC1(C)C 259050515 573251236 /nfs/dbraw/zinc/25/12/36/573251236.db2.gz GTDLICXBHMOXFR-VIFPVBQESA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)=CC(=O)OCC(=O)C(F)F 308322254 573251244 /nfs/dbraw/zinc/25/12/44/573251244.db2.gz CEHZWVQMPNDTOG-UHFFFAOYSA-N 0 0 192.161 1.330 10 0 ADAERN CO[C@@H](C)Cc1nc(C)cc(C=O)n1 129171617 573251246 /nfs/dbraw/zinc/25/12/46/573251246.db2.gz SOMLIYHFUWNWOP-QMMMGPOBSA-N 0 0 194.234 1.175 10 0 ADAERN CC[C@H](C)ONC(=O)N(C)C1CC1 308323073 573251254 /nfs/dbraw/zinc/25/12/54/573251254.db2.gz ZYAXYONNAXRMTN-ZETCQYMHSA-N 0 0 186.255 1.520 10 0 ADAERN COC(C)(C)c1noc(NC2CC2)n1 86075188 573251256 /nfs/dbraw/zinc/25/12/56/573251256.db2.gz DUFCQMNCTYJKAY-UHFFFAOYSA-N 0 0 197.238 1.525 10 0 ADAERN C[C@H](O)c1cccc(CNO)c1 259604509 573251289 /nfs/dbraw/zinc/25/12/89/573251289.db2.gz ZWKFIIWWRZKKMD-ZETCQYMHSA-N 0 0 167.208 1.219 10 0 ADAERN COC(C)(C)c1noc([C@@H](C)O)n1 86075448 573251293 /nfs/dbraw/zinc/25/12/93/573251293.db2.gz MKALHCIZZYJVQK-RXMQYKEDSA-N 0 0 186.211 1.004 10 0 ADAERN CC[C@@H](C(N)=O)C1(O)CCCCCC1 238317966 573251301 /nfs/dbraw/zinc/25/13/01/573251301.db2.gz BGNTYISQEMLYLD-VIFPVBQESA-N 0 0 199.294 1.583 10 0 ADAERN CNc1ncnc(Cl)c1F 116183014 573251311 /nfs/dbraw/zinc/25/13/11/573251311.db2.gz USCSZAJVNWOLTA-UHFFFAOYSA-N 0 0 161.567 1.311 10 0 ADAERN CSCC[C@H](O)c1ccncc1 259051285 573251316 /nfs/dbraw/zinc/25/13/16/573251316.db2.gz GIFXRGUVYOVVSJ-VIFPVBQESA-N 0 0 183.276 1.868 10 0 ADAERN Cc1cc(O)cc(CON)c1 257979063 573251344 /nfs/dbraw/zinc/25/13/44/573251344.db2.gz JLRFSAOVRPVTMR-UHFFFAOYSA-N 0 0 153.181 1.091 10 0 ADAERN CC[C@@H](CO)CSC 258245071 573251348 /nfs/dbraw/zinc/25/13/48/573251348.db2.gz SHBJVQYMJRXYTE-LURJTMIESA-N 0 0 134.244 1.368 10 0 ADAERN CCCC1([C@@H]2CC(=O)NN2)CCC1 686135223 573251376 /nfs/dbraw/zinc/25/13/76/573251376.db2.gz FHYMGHIHCASJBQ-QMMMGPOBSA-N 0 0 182.267 1.350 10 0 ADAERN C[C@]1(C[C@H]2CCCOC2)CNC(=O)O1 258246731 573251377 /nfs/dbraw/zinc/25/13/77/573251377.db2.gz HMSFSKIDJVFZKB-SCZZXKLOSA-N 0 0 199.250 1.302 10 0 ADAERN Cc1cc(NC(C)C)cc(C(=O)[O-])n1 116139877 573251409 /nfs/dbraw/zinc/25/14/09/573251409.db2.gz WPUBZPOQBYPOFS-UHFFFAOYSA-N 0 0 194.234 1.909 10 0 ADAERN Cc1c2c(F)cc(C=O)cc2nn1C 259391442 573251423 /nfs/dbraw/zinc/25/14/23/573251423.db2.gz KVMDXRIKMGCSRD-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN CNc1ccc2nc(C)cnc2c1N 238318216 573251429 /nfs/dbraw/zinc/25/14/29/573251429.db2.gz HQSKYAPBIMEYDC-UHFFFAOYSA-N 0 0 188.234 1.562 10 0 ADAERN COCc1cc(F)ccc1C(N)=S 82865066 573251449 /nfs/dbraw/zinc/25/14/49/573251449.db2.gz XPPQLVTUOLUVMA-UHFFFAOYSA-N 0 0 199.250 1.606 10 0 ADAERN CC(C)n1ccc(CC(N)=S)n1 82866462 573251452 /nfs/dbraw/zinc/25/14/52/573251452.db2.gz WDJYRZXOMOZSEX-UHFFFAOYSA-N 0 0 183.280 1.293 10 0 ADAERN CC1(CC(=O)[C@@H](O)C2CC2)CCC1 308326102 573251464 /nfs/dbraw/zinc/25/14/64/573251464.db2.gz GBIPPXQMKNXQRO-JTQLQIEISA-N 0 0 182.263 1.907 10 0 ADAERN C[N@@H+]1CC[C@H]([C@]2(C(=O)[O-])CC2(C)C)C1 259052427 573252348 /nfs/dbraw/zinc/25/23/48/573252348.db2.gz VLQKPYQLJLDUTD-KWQFWETISA-N 0 0 197.278 1.439 10 0 ADAERN COCCc1nnc2n1C[C@H](C)CC2 258250165 573253645 /nfs/dbraw/zinc/25/36/45/573253645.db2.gz MHWXJGZWTDMOMS-MRVPVSSYSA-N 0 0 195.266 1.049 10 0 ADAERN Cc1cc(C)c(C(=O)NC#N)c(C)c1 86077586 573253657 /nfs/dbraw/zinc/25/36/57/573253657.db2.gz XCPCRFBNVKSITI-UHFFFAOYSA-N 0 0 188.230 1.823 10 0 ADAERN CC[C@H]1NNC(=O)c2ccccc2N1 238318100 573253659 /nfs/dbraw/zinc/25/36/59/573253659.db2.gz JCMPACIUZUABQY-SECBINFHSA-N 0 0 191.234 1.083 10 0 ADAERN NCc1nc(-c2ccc(Cl)o2)no1 257979750 573252295 /nfs/dbraw/zinc/25/22/95/573252295.db2.gz KTPJSJXYURULJW-UHFFFAOYSA-N 0 0 199.597 1.442 10 0 ADAERN COc1nc([C@@H](C)N(C)O)cs1 82880513 573252303 /nfs/dbraw/zinc/25/23/03/573252303.db2.gz NLVLHTWODXXMRD-RXMQYKEDSA-N 0 0 188.252 1.534 10 0 ADAERN CC(=O)c1noc([C@@H]2CCCS2)n1 257979872 573252304 /nfs/dbraw/zinc/25/23/04/573252304.db2.gz KVQFXQPUFAWUBE-LURJTMIESA-N 0 0 198.247 1.840 10 0 ADAERN Nc1ccc(C(F)(F)F)c(CO)c1 259393381 573252305 /nfs/dbraw/zinc/25/23/05/573252305.db2.gz HXUBNJKIIAOFAQ-UHFFFAOYSA-N 0 0 191.152 1.780 10 0 ADAERN CCC[C@H](C)[C@@H](CC[NH3+])C(=O)[O-] 233346033 573253676 /nfs/dbraw/zinc/25/36/76/573253676.db2.gz GZEZCNZRALXPSO-JGVFFNPUSA-N 0 0 173.256 1.472 10 0 ADAERN CC(C)c1ccc2ncc(C=O)n2n1 259052866 573252328 /nfs/dbraw/zinc/25/23/28/573252328.db2.gz LTCOWSZZFHTNQK-UHFFFAOYSA-N 0 0 189.218 1.665 10 0 ADAERN CC[C@H](O)c1cccc2c[nH+]cn12 238317693 573252342 /nfs/dbraw/zinc/25/23/42/573252342.db2.gz YOGPZMJLCUBYIN-JTQLQIEISA-N 0 0 176.219 1.778 10 0 ADAERN C[N@@H+]1CCC[C@H](C/C=C\C(=O)[O-])C1 258260048 573252359 /nfs/dbraw/zinc/25/23/59/573252359.db2.gz RDNVSQKGTCMHPZ-PVARNGBLSA-N 0 0 183.251 1.359 10 0 ADAERN COCc1c(F)ccc(C=O)c1OC 257979054 573252382 /nfs/dbraw/zinc/25/23/82/573252382.db2.gz JLECXOBTFPUQNI-UHFFFAOYSA-N 0 0 198.193 1.793 10 0 ADAERN N#CNC(=O)c1cc(Cl)ccc1F 86077731 573252385 /nfs/dbraw/zinc/25/23/85/573252385.db2.gz FZUQQWCYQUBIQZ-UHFFFAOYSA-N 0 0 198.584 1.690 10 0 ADAERN CNC1=N[C@H]2CCCC[C@]2(C)O1 238318445 573252388 /nfs/dbraw/zinc/25/23/88/573252388.db2.gz HSRKZUSMMJCDKU-CBAPKCEASA-N 0 0 168.240 1.293 10 0 ADAERN C[C@H](CO)c1cccc2c1CCOC2 257979385 573252389 /nfs/dbraw/zinc/25/23/89/573252389.db2.gz DQCGDPUAZGNSLE-SECBINFHSA-N 0 0 192.258 1.855 10 0 ADAERN Cc1ccc([C@H]2NC[C@H](C)O2)o1 258252054 573252390 /nfs/dbraw/zinc/25/23/90/573252390.db2.gz AOZWPISNZOSKRA-CBAPKCEASA-N 0 0 167.208 1.595 10 0 ADAERN N#CNC(=O)c1ccc(Cl)s1 86076741 573252404 /nfs/dbraw/zinc/25/24/04/573252404.db2.gz YXKQWLLDEXXFCE-UHFFFAOYSA-N 0 0 186.623 1.612 10 0 ADAERN CCNC(=O)Nc1ccc(CO)cc1 82878910 573252407 /nfs/dbraw/zinc/25/24/07/573252407.db2.gz FHMYCTZMQWECCP-UHFFFAOYSA-N 0 0 194.234 1.320 10 0 ADAERN CCNc1ncnc(Cl)c1F 116181369 573252408 /nfs/dbraw/zinc/25/24/08/573252408.db2.gz OYNDVCUYJFQLDT-UHFFFAOYSA-N 0 0 175.594 1.701 10 0 ADAERN C/C=C/C(=O)OCCC(=O)OCC 308328039 573252414 /nfs/dbraw/zinc/25/24/14/573252414.db2.gz GWPMUSBHVGOCPM-HWKANZROSA-N 0 0 186.207 1.059 10 0 ADAERN CNC1=NC(=O)[C@@H](C2CCCCC2)O1 238317899 573252440 /nfs/dbraw/zinc/25/24/40/573252440.db2.gz LHUFXIXBXKGZSW-MRVPVSSYSA-N 0 0 196.250 1.068 10 0 ADAERN CNC1=N[C@H]2CCCC[C@@]2(C)O1 238318423 573252475 /nfs/dbraw/zinc/25/24/75/573252475.db2.gz HSRKZUSMMJCDKU-IONNQARKSA-N 0 0 168.240 1.293 10 0 ADAERN CC(C)Cc1cn2c(n1)[C@@H](O)CCC2 258249245 573252504 /nfs/dbraw/zinc/25/25/04/573252504.db2.gz HMWCIFPNGFOCOA-JTQLQIEISA-N 0 0 194.278 1.909 10 0 ADAERN CC(C)(O)c1c(N)cccc1F 259393489 573252505 /nfs/dbraw/zinc/25/25/05/573252505.db2.gz IAHCEZZJENHOEP-UHFFFAOYSA-N 0 0 169.199 1.635 10 0 ADAERN CCCC1([C@H]2CC(=O)NN2)CCC1 686135219 573252509 /nfs/dbraw/zinc/25/25/09/573252509.db2.gz FHYMGHIHCASJBQ-MRVPVSSYSA-N 0 0 182.267 1.350 10 0 ADAERN C[C@H](CCC1=CC[NH2+]CC1)C(=O)[O-] 258251078 573252510 /nfs/dbraw/zinc/25/25/10/573252510.db2.gz XTCCJNMSUAIVAV-MRVPVSSYSA-N 0 0 183.251 1.407 10 0 ADAERN O=C1N[C@H](C2CCC2)CCO1 258611418 573252515 /nfs/dbraw/zinc/25/25/15/573252515.db2.gz VYSPBLRHZDQDGA-ZETCQYMHSA-N 0 0 155.197 1.285 10 0 ADAERN Cc1ccc(Cl)c(O)c1CCO 257979269 573252518 /nfs/dbraw/zinc/25/25/18/573252518.db2.gz DONCQVPZQPXEKC-UHFFFAOYSA-N 0 0 186.638 1.889 10 0 ADAERN CCCc1cc(C(N)=O)c(C)[nH]1 259055320 573253687 /nfs/dbraw/zinc/25/36/87/573253687.db2.gz DHGCQPOLADPYSE-UHFFFAOYSA-N 0 0 166.224 1.375 10 0 ADAERN CC(C)(O)C(=O)Nc1cccs1 259052325 573252538 /nfs/dbraw/zinc/25/25/38/573252538.db2.gz VSJWMWCPLIZILO-UHFFFAOYSA-N 0 0 185.248 1.458 10 0 ADAERN C=CC(=O)Nc1ccc(O)cc1F 82879398 573252551 /nfs/dbraw/zinc/25/25/51/573252551.db2.gz ZEGICBSXDOVOEN-UHFFFAOYSA-N 0 0 181.166 1.656 10 0 ADAERN COc1ccc(C)cc1C(=O)NC#N 86077114 573252557 /nfs/dbraw/zinc/25/25/57/573252557.db2.gz WQEYKZZJCUKEEP-UHFFFAOYSA-N 0 0 190.202 1.215 10 0 ADAERN C[C@H](c1ccccc1)[C@@](C)(O)CCO 308530057 573252572 /nfs/dbraw/zinc/25/25/72/573252572.db2.gz CCHFNXRPCBADLB-PWSUYJOCSA-N 0 0 194.274 1.924 10 0 ADAERN COCC1(C[C@@H](O)C(F)F)CCC1 308328739 573252585 /nfs/dbraw/zinc/25/25/85/573252585.db2.gz IXZXDMSUKJEHHW-SSDOTTSWSA-N 0 0 194.221 1.819 10 0 ADAERN Cc1c(O)ccc([C@@H]([NH3+])C(=O)[O-])c1C 257979337 573252606 /nfs/dbraw/zinc/25/26/06/573252606.db2.gz DPOVGJFYABEJHS-SECBINFHSA-N 0 0 195.218 1.093 10 0 ADAERN CN1C[C@@H](O)c2ccccc21 238318808 573252618 /nfs/dbraw/zinc/25/26/18/573252618.db2.gz BWQZQQAIJBDGBR-SECBINFHSA-N 0 0 149.193 1.170 10 0 ADAERN Cc1ccc([C@H]2NC[C@@H](C)O2)o1 258252039 573252619 /nfs/dbraw/zinc/25/26/19/573252619.db2.gz AOZWPISNZOSKRA-APPZFPTMSA-N 0 0 167.208 1.595 10 0 ADAERN CC[C@H]1Nc2ccccc2C(=O)N1N 238318665 573252623 /nfs/dbraw/zinc/25/26/23/573252623.db2.gz HHCBIEUJYYUPKS-VIFPVBQESA-N 0 0 191.234 1.164 10 0 ADAERN Cc1cc(C(=O)NC#N)c(C)s1 86076853 573252624 /nfs/dbraw/zinc/25/26/24/573252624.db2.gz OGQSCWHKXXTEOG-UHFFFAOYSA-N 0 0 180.232 1.576 10 0 ADAERN COc1c(C)ccc(F)c1CCO 257979244 573252646 /nfs/dbraw/zinc/25/26/46/573252646.db2.gz DOFIPJNTDMRGPB-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN CSC(=O)c1ncccc1C 198022567 573252658 /nfs/dbraw/zinc/25/26/58/573252658.db2.gz KFAJBUITHRAIPB-UHFFFAOYSA-N 0 0 167.233 1.893 10 0 ADAERN C[C@@H](O)[C@H]1Cc2cc(F)ccc2N1 258249041 573252690 /nfs/dbraw/zinc/25/26/90/573252690.db2.gz XRAAPNMKCFILJJ-LHLIQPBNSA-N 0 0 181.210 1.543 10 0 ADAERN ONCCC1CCSCC1 258611130 573252699 /nfs/dbraw/zinc/25/26/99/573252699.db2.gz VTUXPEYFWWFSFF-UHFFFAOYSA-N 0 0 161.270 1.499 10 0 ADAERN CC1=Cc2ccccc2[C@H](O)N1O 116171174 573252714 /nfs/dbraw/zinc/25/27/14/573252714.db2.gz ATIYWUVABMUZMJ-JTQLQIEISA-N 0 0 177.203 1.743 10 0 ADAERN COCCc1nnc2n1C[C@@H](C)CC2 258250167 573252715 /nfs/dbraw/zinc/25/27/15/573252715.db2.gz MHWXJGZWTDMOMS-QMMMGPOBSA-N 0 0 195.266 1.049 10 0 ADAERN CC[C@@H](C(N)=O)C1=CCCC1 238317991 573252719 /nfs/dbraw/zinc/25/27/19/573252719.db2.gz XWNCXHKBRMEPOO-MRVPVSSYSA-N 0 0 153.225 1.608 10 0 ADAERN CC(C)(CO)c1cc(F)ccc1C=O 257979412 573252755 /nfs/dbraw/zinc/25/27/55/573252755.db2.gz DQJQQSQGFVLCJR-UHFFFAOYSA-N 0 0 196.221 1.908 10 0 ADAERN C=CC(=O)Nc1ccc(CO)cc1 82878841 573252771 /nfs/dbraw/zinc/25/27/71/573252771.db2.gz DFADQVUSTNXMHI-UHFFFAOYSA-N 0 0 177.203 1.303 10 0 ADAERN CC[C@](C)(OC)c1nc(C(C)=O)c[nH]1 308529724 573252775 /nfs/dbraw/zinc/25/27/75/573252775.db2.gz JWBGGKMRFFYXHX-JTQLQIEISA-N 0 0 196.250 1.884 10 0 ADAERN COCc1ccc(C(C)(C)O)cc1O 257979258 573252781 /nfs/dbraw/zinc/25/27/81/573252781.db2.gz DOIIODVJLSUZEL-UHFFFAOYSA-N 0 0 196.246 1.766 10 0 ADAERN Cc1ccc(C(C)(C)ON)o1 259393448 573252783 /nfs/dbraw/zinc/25/27/83/573252783.db2.gz HZPIDZGEJRKMMC-UHFFFAOYSA-N 0 0 155.197 1.713 10 0 ADAERN Cc1ccsc1[C@H]([NH3+])CCC(=O)[O-] 42730527 573252785 /nfs/dbraw/zinc/25/27/85/573252785.db2.gz HFJRSNIFAICYMY-SSDOTTSWSA-N 0 0 199.275 1.921 10 0 ADAERN N#CNC(=O)c1ccc2cc[nH]c2c1 86077045 573252793 /nfs/dbraw/zinc/25/27/93/573252793.db2.gz KHUGFVAZGRJFCS-UHFFFAOYSA-N 0 0 185.186 1.379 10 0 ADAERN CCCN(CC(C)(C)O)C(=O)OC 308328618 573252796 /nfs/dbraw/zinc/25/27/96/573252796.db2.gz HHWXICKSSRPRKH-UHFFFAOYSA-N 0 0 189.255 1.236 10 0 ADAERN C[C@@H](c1ccccc1)[C@](C)(O)CCO 308530055 573252822 /nfs/dbraw/zinc/25/28/22/573252822.db2.gz CCHFNXRPCBADLB-CMPLNLGQSA-N 0 0 194.274 1.924 10 0 ADAERN ONCc1cccc(-n2cccn2)c1 82881075 573252824 /nfs/dbraw/zinc/25/28/24/573252824.db2.gz KSCQGCMYTSZGLC-UHFFFAOYSA-N 0 0 189.218 1.351 10 0 ADAERN COCC(=O)CC1(COC)CCC1 308328700 573252844 /nfs/dbraw/zinc/25/28/44/573252844.db2.gz IWQBNSZGBHODJX-UHFFFAOYSA-N 0 0 186.251 1.409 10 0 ADAERN COC(F)=C(F)F 116180128 573252849 /nfs/dbraw/zinc/25/28/49/573252849.db2.gz ZUNSDEVCBWMHMO-UHFFFAOYSA-N 0 0 112.050 1.668 10 0 ADAERN Cc1ccc(C(=O)NC#N)cc1C 86077736 573252871 /nfs/dbraw/zinc/25/28/71/573252871.db2.gz QRDHJNZWRNOMBR-UHFFFAOYSA-N 0 0 174.203 1.514 10 0 ADAERN Cc1cc(C(=O)CC[NH3+])c(F)cc1[O-] 257979215 573252878 /nfs/dbraw/zinc/25/28/78/573252878.db2.gz DNYHWQKGUUTKQB-UHFFFAOYSA-N 0 0 197.209 1.371 10 0 ADAERN N#CNC(=O)c1c(F)cccc1F 86077008 573252884 /nfs/dbraw/zinc/25/28/84/573252884.db2.gz QMUZZWLEMMOECU-UHFFFAOYSA-N 0 0 182.129 1.176 10 0 ADAERN Cc1ccc([C@@H]2NC[C@@H](C)O2)o1 258252076 573252885 /nfs/dbraw/zinc/25/28/85/573252885.db2.gz AOZWPISNZOSKRA-VXNVDRBHSA-N 0 0 167.208 1.595 10 0 ADAERN COc1cccc(CNC(=O)S)c1 258611443 573252895 /nfs/dbraw/zinc/25/28/95/573252895.db2.gz AUQHUYYPCXNHDR-UHFFFAOYSA-N 0 0 197.259 1.835 10 0 ADAERN CNC1=NC(=O)[C@H](C2CCCCC2)O1 238317958 573252898 /nfs/dbraw/zinc/25/28/98/573252898.db2.gz LHUFXIXBXKGZSW-QMMMGPOBSA-N 0 0 196.250 1.068 10 0 ADAERN N#CNC(=O)c1cccc2[nH]ccc12 86077423 573252915 /nfs/dbraw/zinc/25/29/15/573252915.db2.gz MXSKBNYIHCDXQM-UHFFFAOYSA-N 0 0 185.186 1.379 10 0 ADAERN COCc1ccc([C@H](C)CO)cc1 257979081 573252934 /nfs/dbraw/zinc/25/29/34/573252934.db2.gz JLXUXSRXZBUJTA-SECBINFHSA-N 0 0 180.247 1.929 10 0 ADAERN COC[C@H](C)Nc1ccc(O)c(F)c1 82878594 573252947 /nfs/dbraw/zinc/25/29/47/573252947.db2.gz XGHDHIOBYUKMDO-ZETCQYMHSA-N 0 0 199.225 1.978 10 0 ADAERN Cc1ccc(C)c(C(=O)NC#N)c1 86077391 573252966 /nfs/dbraw/zinc/25/29/66/573252966.db2.gz GWMBKQNBFDGDIX-UHFFFAOYSA-N 0 0 174.203 1.514 10 0 ADAERN CNc1nc(C)nnc1-c1ccc[nH]1 259055274 573252972 /nfs/dbraw/zinc/25/29/72/573252972.db2.gz DGHZYHRBEOPCPX-UHFFFAOYSA-N 0 0 189.222 1.217 10 0 ADAERN Cc1ccc([C@H](C)CO)c(C=O)c1 257978990 573252974 /nfs/dbraw/zinc/25/29/74/573252974.db2.gz JJOGVZLEJUBRNS-SECBINFHSA-N 0 0 178.231 1.903 10 0 ADAERN Cc1nc(N)oc1-c1ccncc1 258613247 573252984 /nfs/dbraw/zinc/25/29/84/573252984.db2.gz PLTRTJCIGPQTPU-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCCC(=O)Nc1ccc(CO)cc1 82878855 573252990 /nfs/dbraw/zinc/25/29/90/573252990.db2.gz BRDLEXSURVFUGI-UHFFFAOYSA-N 0 0 193.246 1.918 10 0 ADAERN O=C1C[C@@H]2CC3(C[C@@H]2C1)OCCCO3 715734266 573252998 /nfs/dbraw/zinc/25/29/98/573252998.db2.gz SAPTUOPZLDHLDV-DTORHVGOSA-N 0 0 196.246 1.509 10 0 ADAERN CC(=O)c1cnc(-c2ccncc2)o1 258251036 573253002 /nfs/dbraw/zinc/25/30/02/573253002.db2.gz WSWAJDNNUSQRRK-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN CC/C=C\C(=O)OC1CCOCC1 308327718 573253003 /nfs/dbraw/zinc/25/30/03/573253003.db2.gz GNDQCONRJMGPSY-ARJAWSKDSA-N 0 0 184.235 1.675 10 0 ADAERN OCCc1cc(F)c(F)cc1O 257978994 573253008 /nfs/dbraw/zinc/25/30/08/573253008.db2.gz JJSXKUIDUDLOJT-UHFFFAOYSA-N 0 0 174.146 1.205 10 0 ADAERN COc1ccc(C(=O)NC#N)cc1F 86077099 573253020 /nfs/dbraw/zinc/25/30/20/573253020.db2.gz GAFBXSJRNANFIR-UHFFFAOYSA-N 0 0 194.165 1.045 10 0 ADAERN C[C@H](O)[C@@H]1Cc2cc(F)ccc2N1 258249045 573253043 /nfs/dbraw/zinc/25/30/43/573253043.db2.gz XRAAPNMKCFILJJ-WKEGUHRASA-N 0 0 181.210 1.543 10 0 ADAERN C[C@H]([N@@H+](C)[C@H](C)C(=O)[O-])C(C)(C)C 42770995 573253057 /nfs/dbraw/zinc/25/30/57/573253057.db2.gz QAGNHCCBTHMHTC-SFYZADRCSA-N 0 0 187.283 1.826 10 0 ADAERN CN[C@@]1(C)OC(=O)c2ccccc21 238318660 573253067 /nfs/dbraw/zinc/25/30/67/573253067.db2.gz VLZQJEOLCYRDFZ-JTQLQIEISA-N 0 0 177.203 1.249 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CCC[N@H+](C)CC1 82878455 573253090 /nfs/dbraw/zinc/25/30/90/573253090.db2.gz DLAQTLCHCGTYPB-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H]1COC(c2ccc(CO)cc2)=N1 257979156 573253099 /nfs/dbraw/zinc/25/30/99/573253099.db2.gz DMWDOLUISUQKKB-QMMMGPOBSA-N 0 0 191.230 1.344 10 0 ADAERN Cc1cc(O)c(F)c([C@H](C)CO)c1 257979189 573253104 /nfs/dbraw/zinc/25/31/04/573253104.db2.gz DNKWTUIGLPCMND-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN Cc1ccc([C@@H]2COC(=O)N2)cn1 116178745 573253121 /nfs/dbraw/zinc/25/31/21/573253121.db2.gz QYTQLSKEJLRETG-QMMMGPOBSA-N 0 0 178.191 1.171 10 0 ADAERN CCC[C@H](CC)[C@@H](O)C(=O)OC 233346026 573253128 /nfs/dbraw/zinc/25/31/28/573253128.db2.gz MZGPOVIYPFLCAM-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN Cc1ccc(CNO)cc1N(C)C 259393678 573253159 /nfs/dbraw/zinc/25/31/59/573253159.db2.gz IUUMYXFCVSBCOJ-UHFFFAOYSA-N 0 0 180.251 1.540 10 0 ADAERN C[C@@H](CO)c1cccc2c1CCOC2 257979389 573253167 /nfs/dbraw/zinc/25/31/67/573253167.db2.gz DQCGDPUAZGNSLE-VIFPVBQESA-N 0 0 192.258 1.855 10 0 ADAERN CC[C@H](O)CN(CC)CC(F)(F)F 42778306 573253179 /nfs/dbraw/zinc/25/31/79/573253179.db2.gz DPEBZMSOYFUTIQ-ZETCQYMHSA-N 0 0 199.216 1.642 10 0 ADAERN COC(=O)N[C@@H]1CC[C@H](C)O[C@@H]1C 238317779 573253203 /nfs/dbraw/zinc/25/32/03/573253203.db2.gz KJMKDYFBFLSHGT-XLPZGREQSA-N 0 0 187.239 1.298 10 0 ADAERN C[C@@H](O)Cc1ccn(C2CCCC2)n1 82876399 573253205 /nfs/dbraw/zinc/25/32/05/573253205.db2.gz DHWUGIBFEGOVLL-SECBINFHSA-N 0 0 194.278 1.922 10 0 ADAERN CSCCOC1CCC(=O)CC1 129188338 573253218 /nfs/dbraw/zinc/25/32/18/573253218.db2.gz LDIKAVFVLGLWLS-UHFFFAOYSA-N 0 0 188.292 1.878 10 0 ADAERN Cc1c(O)cccc1-n1cnnc1 82879290 573253220 /nfs/dbraw/zinc/25/32/20/573253220.db2.gz LHNGBFUNMCQRNG-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN OCc1cncn1[C@@H]1C[C@H]1C1CC1 716642876 573253231 /nfs/dbraw/zinc/25/32/31/573253231.db2.gz XUZRNVOVGSAJQX-VHSXEESVSA-N 0 0 178.235 1.346 10 0 ADAERN C[C@@H](O)c1cccc(CNO)c1 259604503 573253234 /nfs/dbraw/zinc/25/32/34/573253234.db2.gz ZWKFIIWWRZKKMD-SSDOTTSWSA-N 0 0 167.208 1.219 10 0 ADAERN Cc1csc([C@@H]2COC(=O)N2)n1 116178860 573253236 /nfs/dbraw/zinc/25/32/36/573253236.db2.gz ADNYFQODKMTZQZ-YFKPBYRVSA-N 0 0 184.220 1.232 10 0 ADAERN COc1ccc2c(c1)C[C@H]([C@H](C)O)N2 258251493 573253238 /nfs/dbraw/zinc/25/32/38/573253238.db2.gz XVDPDWGLHWSBBA-WRWORJQWSA-N 0 0 193.246 1.413 10 0 ADAERN COCc1ccc([C@@H](C)CO)cc1 257979082 573253247 /nfs/dbraw/zinc/25/32/47/573253247.db2.gz JLXUXSRXZBUJTA-VIFPVBQESA-N 0 0 180.247 1.929 10 0 ADAERN COCN(C)c1ccccc1OC 259055905 573253266 /nfs/dbraw/zinc/25/32/66/573253266.db2.gz KMGLXDVNDYOAIN-UHFFFAOYSA-N 0 0 181.235 1.735 10 0 ADAERN NC(=O)Nc1ccc(O)cc1F 82879418 573253287 /nfs/dbraw/zinc/25/32/87/573253287.db2.gz PUOOVEUGGUXWGS-UHFFFAOYSA-N 0 0 170.143 1.022 10 0 ADAERN CCc1cc(C(=O)[O-])cc(CC)n1 116139190 573253290 /nfs/dbraw/zinc/25/32/90/573253290.db2.gz MTWARANBIROLCZ-UHFFFAOYSA-N 0 0 179.219 1.905 10 0 ADAERN CC[C@H](O)c1sccc1N 238318532 573253297 /nfs/dbraw/zinc/25/32/97/573253297.db2.gz BGWZBWVBQOGWJS-LURJTMIESA-N 0 0 157.238 1.774 10 0 ADAERN CC(C)(Cc1cccc(O)c1)ON 259393339 573253301 /nfs/dbraw/zinc/25/33/01/573253301.db2.gz HVTGCQXOJJKDIQ-UHFFFAOYSA-N 0 0 181.235 1.604 10 0 ADAERN COc1cc(C=O)c([C@@H](C)O)cc1O 257979146 573253311 /nfs/dbraw/zinc/25/33/11/573253311.db2.gz DMVQBRSVGLRNBA-ZCFIWIBFSA-N 0 0 196.202 1.267 10 0 ADAERN CC/C=C/C(=O)OC1CCOCC1 308327720 573253343 /nfs/dbraw/zinc/25/33/43/573253343.db2.gz GNDQCONRJMGPSY-ONEGZZNKSA-N 0 0 184.235 1.675 10 0 ADAERN O=C1CCN(CC[C@H]2CCCCO2)C1 223627415 573253383 /nfs/dbraw/zinc/25/33/83/573253383.db2.gz PADCQFBLLPYWPT-LLVKDONJSA-N 0 0 197.278 1.220 10 0 ADAERN CC(C)CC(C)(C)C[C@@H]([NH3+])C(=O)[O-] 258613209 573253385 /nfs/dbraw/zinc/25/33/85/573253385.db2.gz PLCXXFWKVUNGCH-MRVPVSSYSA-N 0 0 187.283 1.861 10 0 ADAERN Cc1cc(CO)nn1C(C)(C)C 642883336 573253405 /nfs/dbraw/zinc/25/34/05/573253405.db2.gz REIVYEGCGBFFST-UHFFFAOYSA-N 0 0 168.240 1.439 10 0 ADAERN N#CNC(=O)c1coc2ccccc12 86077338 573253427 /nfs/dbraw/zinc/25/34/27/573253427.db2.gz JRYDDUWVXGLCJR-UHFFFAOYSA-N 0 0 186.170 1.644 10 0 ADAERN COCc1cc(F)ccc1C[C@H](C)O 257979355 573253431 /nfs/dbraw/zinc/25/34/31/573253431.db2.gz DPPIEIFHNZKKDS-QMMMGPOBSA-N 0 0 198.237 1.895 10 0 ADAERN CC(C)Cc1ncc([C@H](C)O)o1 258251476 573253462 /nfs/dbraw/zinc/25/34/62/573253462.db2.gz WVQOVIYWALIDBK-ZETCQYMHSA-N 0 0 169.224 1.926 10 0 ADAERN C=CC(=O)Nc1cccc(O)c1C 82879139 573253470 /nfs/dbraw/zinc/25/34/70/573253470.db2.gz YPAPMCLFVJAVNZ-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN CCC1C(=O)C[C@H](C)OC1=O 105333590 573253473 /nfs/dbraw/zinc/25/34/73/573253473.db2.gz HLUCKTXVODDJSE-YFKPBYRVSA-N 0 0 156.181 1.544 10 0 ADAERN OCc1cncn1[C@@H]1C[C@@H]1C1CC1 716642871 573253522 /nfs/dbraw/zinc/25/35/22/573253522.db2.gz XUZRNVOVGSAJQX-NXEZZACHSA-N 0 0 178.235 1.346 10 0 ADAERN Clc1ccnn1-c1cccnn1 236049997 573253538 /nfs/dbraw/zinc/25/35/38/573253538.db2.gz AXSNIGPVOAHPBG-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN C[C@@H](c1ccccc1)[C@@](C)(O)CCO 308530056 573253540 /nfs/dbraw/zinc/25/35/40/573253540.db2.gz CCHFNXRPCBADLB-JQWIXIFHSA-N 0 0 194.274 1.924 10 0 ADAERN COc1cc(C=O)c([C@H](C)O)cc1O 257979143 573253545 /nfs/dbraw/zinc/25/35/45/573253545.db2.gz DMVQBRSVGLRNBA-LURJTMIESA-N 0 0 196.202 1.267 10 0 ADAERN O=C1CCCN(C2CCCC2)C1=O 259392133 573253554 /nfs/dbraw/zinc/25/35/54/573253554.db2.gz LUDHCGIXSRHYSA-UHFFFAOYSA-N 0 0 181.235 1.121 10 0 ADAERN COCc1ccc(C(=O)NC#N)cc1 86077200 573253560 /nfs/dbraw/zinc/25/35/60/573253560.db2.gz YTMYLWKDWZVMDZ-UHFFFAOYSA-N 0 0 190.202 1.044 10 0 ADAERN C[C@H]1COc2cccc(CON)c21 258249123 573253564 /nfs/dbraw/zinc/25/35/64/573253564.db2.gz XRQMOJRIBZDGAD-ZETCQYMHSA-N 0 0 179.219 1.573 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCO2)on1 259393163 573253577 /nfs/dbraw/zinc/25/35/77/573253577.db2.gz WTACXNUVIZAJBM-QMMMGPOBSA-N 0 0 181.191 1.729 10 0 ADAERN O=C1[C@H](F)CCC[C@H]1F 116196847 573253638 /nfs/dbraw/zinc/25/36/38/573253638.db2.gz NONCMCAEWUAYGU-RFZPGFLSSA-N 0 0 134.125 1.416 10 0 ADAERN Cc1c(O)cccc1-c1c[nH]nc1N 257979405 573253584 /nfs/dbraw/zinc/25/35/84/573253584.db2.gz DQGAGNSJTAYUBE-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN OCCc1c(O)ccc(Cl)c1F 257979425 573253592 /nfs/dbraw/zinc/25/35/92/573253592.db2.gz DQNKHEHWNCPXCR-UHFFFAOYSA-N 0 0 190.601 1.720 10 0 ADAERN CCc1ccc(C(=O)NC#N)o1 86077101 573253601 /nfs/dbraw/zinc/25/36/01/573253601.db2.gz PKHXXJGAMAQTHU-UHFFFAOYSA-N 0 0 164.164 1.053 10 0 ADAERN CCn1ccc(/C=C\CO)c1 211928509 573255336 /nfs/dbraw/zinc/25/53/36/573255336.db2.gz OKZAJRNGJBTRTR-ARJAWSKDSA-N 0 0 151.209 1.514 10 0 ADAERN C[C@@H]1COC(c2ccc(CO)cc2)=N1 257979153 573254021 /nfs/dbraw/zinc/25/40/21/573254021.db2.gz DMWDOLUISUQKKB-MRVPVSSYSA-N 0 0 191.230 1.344 10 0 ADAERN O=C(Nc1ccc(O)c(F)c1)C1CC1 82878348 573254025 /nfs/dbraw/zinc/25/40/25/573254025.db2.gz BYFJZBVANQLBMK-UHFFFAOYSA-N 0 0 195.193 1.880 10 0 ADAERN CC(C)Cc1cn2c(n1)[C@H](O)CCC2 258249247 573254030 /nfs/dbraw/zinc/25/40/30/573254030.db2.gz HMWCIFPNGFOCOA-SNVBAGLBSA-N 0 0 194.278 1.909 10 0 ADAERN CC(=O)Nc1cccc(O)c1C 82879058 573254037 /nfs/dbraw/zinc/25/40/37/573254037.db2.gz BFZGSYWQSPOVCP-UHFFFAOYSA-N 0 0 165.192 1.659 10 0 ADAERN CC(C)c1c[nH]c([C@@H]([NH3+])CC(=O)[O-])n1 259054801 573254046 /nfs/dbraw/zinc/25/40/46/573254046.db2.gz IZKYNINUPOFDQK-LURJTMIESA-N 0 0 197.238 1.008 10 0 ADAERN COC[C@@H](C)c1nnc(C2CC2)o1 308328649 573255341 /nfs/dbraw/zinc/25/53/41/573255341.db2.gz HJYHNUXLVSJMHE-ZCFIWIBFSA-N 0 0 182.223 1.697 10 0 ADAERN O=C1N[C@@H](C2CCC2)CCO1 258611417 573254100 /nfs/dbraw/zinc/25/41/00/573254100.db2.gz VYSPBLRHZDQDGA-SSDOTTSWSA-N 0 0 155.197 1.285 10 0 ADAERN CCc1ccc(C(=O)NC#N)s1 86077075 573254120 /nfs/dbraw/zinc/25/41/20/573254120.db2.gz KHQRWHPXNMQLSY-UHFFFAOYSA-N 0 0 180.232 1.521 10 0 ADAERN O=CNc1ccc(O)cc1Cl 82879757 573254127 /nfs/dbraw/zinc/25/41/27/573254127.db2.gz OHVAOWOUMLQQDE-UHFFFAOYSA-N 0 0 171.583 1.614 10 0 ADAERN Cn1ccc(C[C@H]2CCCC2=O)n1 123909499 573254138 /nfs/dbraw/zinc/25/41/38/573254138.db2.gz RUFXPMUSVIQFBM-MRVPVSSYSA-N 0 0 178.235 1.332 10 0 ADAERN CCOc1ccccc1C(=O)NC#N 86076711 573254143 /nfs/dbraw/zinc/25/41/43/573254143.db2.gz IEJCVPXOCBNQRD-UHFFFAOYSA-N 0 0 190.202 1.296 10 0 ADAERN CNC(=O)[C@@H]1[C@H](C)C=CCC1(C)C 238317663 573254149 /nfs/dbraw/zinc/25/41/49/573254149.db2.gz LFJCOUUUIVUZLB-BDAKNGLRSA-N 0 0 181.279 1.971 10 0 ADAERN CC(C)(F)c1nsc(N)n1 258613361 573254151 /nfs/dbraw/zinc/25/41/51/573254151.db2.gz WAEACVCMBMFKEI-UHFFFAOYSA-N 0 0 161.205 1.325 10 0 ADAERN Cc1cc(C)cc(C(=O)NC#N)c1 86077393 573254154 /nfs/dbraw/zinc/25/41/54/573254154.db2.gz WMHOYWSEOJCDCF-UHFFFAOYSA-N 0 0 174.203 1.514 10 0 ADAERN CC[C@H]1N[C@@H](c2ccccc2)NC1=O 238318180 573254158 /nfs/dbraw/zinc/25/41/58/573254158.db2.gz LCTWBGNVPCGVNI-NXEZZACHSA-N 0 0 190.246 1.183 10 0 ADAERN COc1c(O)cc(CNO)cc1F 257979162 573254159 /nfs/dbraw/zinc/25/41/59/573254159.db2.gz DMYRERCEIQCTPT-UHFFFAOYSA-N 0 0 187.170 1.019 10 0 ADAERN CC(C)(C)C[C@@H](C[NH2+]C1CC1)C(=O)[O-] 258259698 573254160 /nfs/dbraw/zinc/25/41/60/573254160.db2.gz TXUGQWIMUGUOAG-QMMMGPOBSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@@H](C(N)=O)c1ccco1 238318217 573254199 /nfs/dbraw/zinc/25/41/99/573254199.db2.gz CHNWTAFCVUKJDK-ZCFIWIBFSA-N 0 0 153.181 1.259 10 0 ADAERN COc1cncc(CSCCO)c1 308328357 573254178 /nfs/dbraw/zinc/25/41/78/573254178.db2.gz HBTDRYAZPHLOQF-UHFFFAOYSA-N 0 0 199.275 1.316 10 0 ADAERN CCOC(=O)N1CC[C@@H](C2CC2)C1 308328950 573254201 /nfs/dbraw/zinc/25/42/01/573254201.db2.gz HNUICXOTNXYSJW-SECBINFHSA-N 0 0 183.251 1.875 10 0 ADAERN CC(C)CC(C)(C)C[C@H]([NH3+])C(=O)[O-] 258613211 573254204 /nfs/dbraw/zinc/25/42/04/573254204.db2.gz PLCXXFWKVUNGCH-QMMMGPOBSA-N 0 0 187.283 1.861 10 0 ADAERN CSc1ccccc1C(=O)NC#N 86077024 573254206 /nfs/dbraw/zinc/25/42/06/573254206.db2.gz WIKIXCHJNAIFPJ-UHFFFAOYSA-N 0 0 192.243 1.619 10 0 ADAERN N#CNC(=O)c1ccc2[nH]ccc2c1 86076763 573254223 /nfs/dbraw/zinc/25/42/23/573254223.db2.gz JPRNLYKERLFFFB-UHFFFAOYSA-N 0 0 185.186 1.379 10 0 ADAERN CCCCOCc1cccc(CO)n1 308529937 573254226 /nfs/dbraw/zinc/25/42/26/573254226.db2.gz QIYVSLZTBZTGNO-UHFFFAOYSA-N 0 0 195.262 1.891 10 0 ADAERN Cc1ccc2c(c1)C[C@H](CCO)O2 258259512 573254235 /nfs/dbraw/zinc/25/42/35/573254235.db2.gz YIYSOLSUAZQWBE-JTQLQIEISA-N 0 0 178.231 1.681 10 0 ADAERN COc1ccc2c(c1)C[C@@H]([C@H](C)O)N2 258251483 573254240 /nfs/dbraw/zinc/25/42/40/573254240.db2.gz XVDPDWGLHWSBBA-CPCISQLKSA-N 0 0 193.246 1.413 10 0 ADAERN N#CNC(=O)c1cc(F)cc(F)c1 86077725 573254264 /nfs/dbraw/zinc/25/42/64/573254264.db2.gz DOVZQXBMBKOTSN-UHFFFAOYSA-N 0 0 182.129 1.176 10 0 ADAERN O=CNc1ccc(Cl)c(O)c1 82879477 573254270 /nfs/dbraw/zinc/25/42/70/573254270.db2.gz QVLKMOXSMOZEPO-UHFFFAOYSA-N 0 0 171.583 1.614 10 0 ADAERN O=C(Nc1ccc(CO)cc1)C1CC1 82878895 573254278 /nfs/dbraw/zinc/25/42/78/573254278.db2.gz SOVHRUKLXJYYRA-UHFFFAOYSA-N 0 0 191.230 1.527 10 0 ADAERN OCCc1ccn(C2CCCCC2)n1 82876458 573254286 /nfs/dbraw/zinc/25/42/86/573254286.db2.gz PAPJVTBNMPXWRC-UHFFFAOYSA-N 0 0 194.278 1.923 10 0 ADAERN CCOC(=O)Nc1ccc(CO)cc1 82878913 573255305 /nfs/dbraw/zinc/25/53/05/573255305.db2.gz AIKZXWDRXVHIRM-UHFFFAOYSA-N 0 0 195.218 1.747 10 0 ADAERN COC(=O)Nc1ccc(O)c(F)c1 82878382 573254294 /nfs/dbraw/zinc/25/42/94/573254294.db2.gz GSKKPISLGJWECR-UHFFFAOYSA-N 0 0 185.154 1.710 10 0 ADAERN CNC1=Nc2ccccc2CO1 238318601 573254297 /nfs/dbraw/zinc/25/42/97/573254297.db2.gz HSSCAVIURFFCEM-UHFFFAOYSA-N 0 0 162.192 1.424 10 0 ADAERN CSc1ncccc1C(=O)NC#N 86076737 573254300 /nfs/dbraw/zinc/25/43/00/573254300.db2.gz AJELFKTVSOWPAU-UHFFFAOYSA-N 0 0 193.231 1.014 10 0 ADAERN CN(C)C(=S)N[C@@H]1C[C@H]2C=C[C@@H]1C2 238318477 573254306 /nfs/dbraw/zinc/25/43/06/573254306.db2.gz JWTWAJBAQJULDP-DJLDLDEBSA-N 0 0 196.319 1.387 10 0 ADAERN CCCCc1noc(CCOC)n1 308327810 573254309 /nfs/dbraw/zinc/25/43/09/573254309.db2.gz GSEIZBCONWWRRI-UHFFFAOYSA-N 0 0 184.239 1.601 10 0 ADAERN N#CNC(=O)c1c(F)cccc1Cl 86077176 573254314 /nfs/dbraw/zinc/25/43/14/573254314.db2.gz KPIKNDFFVVWMFO-UHFFFAOYSA-N 0 0 198.584 1.690 10 0 ADAERN CC(C)[C@H](C[NH2+]C1CCC1)C(=O)[O-] 258251661 573254317 /nfs/dbraw/zinc/25/43/17/573254317.db2.gz SREHLMJDZKNGEP-VIFPVBQESA-N 0 0 185.267 1.485 10 0 ADAERN COCc1cccc(C(=O)NC#N)c1 86077476 573254345 /nfs/dbraw/zinc/25/43/45/573254345.db2.gz QXRQMYYJGAYMNI-UHFFFAOYSA-N 0 0 190.202 1.044 10 0 ADAERN Cc1cc(O)cc(C)c1CCON 257979100 573254352 /nfs/dbraw/zinc/25/43/52/573254352.db2.gz JMPODDOCIAOZLE-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN CC1(CNC(=O)N2CCCCC2)CC1 223624334 573254353 /nfs/dbraw/zinc/25/43/53/573254353.db2.gz HKOVYMFMXXHDQT-UHFFFAOYSA-N 0 0 196.294 1.982 10 0 ADAERN Cc1coc(-c2ccc(C=O)nc2)n1 642883384 573254377 /nfs/dbraw/zinc/25/43/77/573254377.db2.gz UPDVRHCSEZFQKE-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN COc1ccc(SC)cc1CON 258250210 573254378 /nfs/dbraw/zinc/25/43/78/573254378.db2.gz XQQXCRBRBISYAM-UHFFFAOYSA-N 0 0 199.275 1.807 10 0 ADAERN COc1ccc2c(c1)C[C@@H]([C@@H](C)O)N2 258251486 573255311 /nfs/dbraw/zinc/25/53/11/573255311.db2.gz XVDPDWGLHWSBBA-HQJQHLMTSA-N 0 0 193.246 1.413 10 0 ADAERN Cc1oc(C)c(C(=O)NC#N)c1C 86077103 573254424 /nfs/dbraw/zinc/25/44/24/573254424.db2.gz VQKZJRRIUWQRKK-UHFFFAOYSA-N 0 0 178.191 1.416 10 0 ADAERN O=C1C[C@H]2CC3(C[C@@H]2C1)OCCCO3 715734271 573254430 /nfs/dbraw/zinc/25/44/30/573254430.db2.gz SAPTUOPZLDHLDV-IUCAKERBSA-N 0 0 196.246 1.509 10 0 ADAERN C/C=C/C(=O)Nc1ccc(CO)cc1 82878813 573254463 /nfs/dbraw/zinc/25/44/63/573254463.db2.gz OWLPMABQNFBCAB-NSCUHMNNSA-N 0 0 191.230 1.694 10 0 ADAERN Nc1cccc2c1C[C@H]1O[C@H]1C2 116212465 573254480 /nfs/dbraw/zinc/25/44/80/573254480.db2.gz AXTABTVEOPXSTK-VHSXEESVSA-N 0 0 161.204 1.135 10 0 ADAERN Cc1ccc(NC=O)cc1O 82879154 573254484 /nfs/dbraw/zinc/25/44/84/573254484.db2.gz IPYHRHIDPIEXDD-UHFFFAOYSA-N 0 0 151.165 1.269 10 0 ADAERN O=c1[nH][nH]cc1-c1ccccc1F 258611352 573254486 /nfs/dbraw/zinc/25/44/86/573254486.db2.gz AWXJZFZPOMXMLX-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN CCCCc1cc(=O)[nH]c(COC)n1 233008194 573254517 /nfs/dbraw/zinc/25/45/17/573254517.db2.gz CSHPXMZVAZLGAX-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN CC[C@H]1Nc2nonc2N=C[C@@H]1C 238318916 573254526 /nfs/dbraw/zinc/25/45/26/573254526.db2.gz JZQHOXFQMWDEKX-NTSWFWBYSA-N 0 0 180.211 1.612 10 0 ADAERN OCc1cncn1[C@H]1C[C@@H]1C1CC1 716642877 573254532 /nfs/dbraw/zinc/25/45/32/573254532.db2.gz XUZRNVOVGSAJQX-ZJUUUORDSA-N 0 0 178.235 1.346 10 0 ADAERN COCc1ccc(C(C)=O)cc1O 257979011 573254549 /nfs/dbraw/zinc/25/45/49/573254549.db2.gz JKHDQYBFUKUTTJ-UHFFFAOYSA-N 0 0 180.203 1.741 10 0 ADAERN CONCc1c(F)ccc(C)c1OC 258250185 573254568 /nfs/dbraw/zinc/25/45/68/573254568.db2.gz XPVVSEVSEAAWCL-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN O=CNc1ccc(O)cc1F 82879320 573254572 /nfs/dbraw/zinc/25/45/72/573254572.db2.gz VMAQHMPONPPCJN-UHFFFAOYSA-N 0 0 155.128 1.100 10 0 ADAERN Cc1ncnc(C)c1[C@H](C)N(C)O 82873843 573254599 /nfs/dbraw/zinc/25/45/99/573254599.db2.gz PBKQYPRYQPJWEW-QMMMGPOBSA-N 0 0 181.239 1.475 10 0 ADAERN Cc1noc(C)c1NC(=S)N(C)C 238318575 573254617 /nfs/dbraw/zinc/25/46/17/573254617.db2.gz MWDUOBOHWDYRCQ-UHFFFAOYSA-N 0 0 199.279 1.550 10 0 ADAERN COC(=O)c1oncc1C(F)(F)F 259394645 573254651 /nfs/dbraw/zinc/25/46/51/573254651.db2.gz JIRIGPLHGOOUJF-UHFFFAOYSA-N 0 0 195.096 1.480 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(C)ccc2N1 258248881 573254656 /nfs/dbraw/zinc/25/46/56/573254656.db2.gz XPSFMTYNBNSXDE-NSHDSACASA-N 0 0 175.231 1.921 10 0 ADAERN CC(=O)C[C@@H]1Cc2cc(O)ccc2N1 258251448 573254662 /nfs/dbraw/zinc/25/46/62/573254662.db2.gz XUUFFJYFNGGDIR-SECBINFHSA-N 0 0 191.230 1.708 10 0 ADAERN COCC1(C[C@H](O)C(F)F)CCC1 308328741 573254663 /nfs/dbraw/zinc/25/46/63/573254663.db2.gz IXZXDMSUKJEHHW-ZETCQYMHSA-N 0 0 194.221 1.819 10 0 ADAERN Cc1cc([C@@H](O)C(C)(C)O)ccc1F 235748952 573254688 /nfs/dbraw/zinc/25/46/88/573254688.db2.gz ZKMBOTIDVVCWIO-SNVBAGLBSA-N 0 0 198.237 1.938 10 0 ADAERN CC[C@H](O)c1cnc2cnccn12 238318355 573254691 /nfs/dbraw/zinc/25/46/91/573254691.db2.gz IYVWPPYFEYIUMG-QMMMGPOBSA-N 0 0 177.207 1.173 10 0 ADAERN OCc1cncn1[C@H]1C[C@H]1C1CC1 716642872 573254719 /nfs/dbraw/zinc/25/47/19/573254719.db2.gz XUZRNVOVGSAJQX-UWVGGRQHSA-N 0 0 178.235 1.346 10 0 ADAERN CCNC(=O)Nc1ccc(O)cc1F 82879417 573254726 /nfs/dbraw/zinc/25/47/26/573254726.db2.gz MFELCWHPVRVQLS-UHFFFAOYSA-N 0 0 198.197 1.673 10 0 ADAERN Cc1cc(O)c(F)c([C@@H](C)CO)c1 257979191 573254738 /nfs/dbraw/zinc/25/47/38/573254738.db2.gz DNKWTUIGLPCMND-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN N#CNC(=O)c1cccc(F)c1F 86076802 573254747 /nfs/dbraw/zinc/25/47/47/573254747.db2.gz PEBZXKDPNUXDGT-UHFFFAOYSA-N 0 0 182.129 1.176 10 0 ADAERN Cc1cc(F)c(CC[NH3+])cc1C(=O)[O-] 257979308 573254752 /nfs/dbraw/zinc/25/47/52/573254752.db2.gz DPHTWTOAIQMKPB-UHFFFAOYSA-N 0 0 197.209 1.334 10 0 ADAERN Cc1ccc(C2(C)COC2)o1 259054879 573254756 /nfs/dbraw/zinc/25/47/56/573254756.db2.gz JANDMMICWOBMKY-UHFFFAOYSA-N 0 0 152.193 1.876 10 0 ADAERN CC(C)N(CC(F)(F)F)C(N)=O 42767958 573254763 /nfs/dbraw/zinc/25/47/63/573254763.db2.gz GQWXTIHFYSECGU-UHFFFAOYSA-N 0 0 184.161 1.338 10 0 ADAERN CNC1=N[C@@H]2CCCC[C@@]2(C)O1 238318280 573254788 /nfs/dbraw/zinc/25/47/88/573254788.db2.gz HSRKZUSMMJCDKU-VXNVDRBHSA-N 0 0 168.240 1.293 10 0 ADAERN COC(=O)Cc1nc(CC(C)C)c[nH]1 259052899 573254789 /nfs/dbraw/zinc/25/47/89/573254789.db2.gz IVNOUVDTCBZFBH-UHFFFAOYSA-N 0 0 196.250 1.324 10 0 ADAERN Cc1noc(C(C)C)c1C(=O)NC#N 86076805 573254793 /nfs/dbraw/zinc/25/47/93/573254793.db2.gz SILQADJTSJSFKT-UHFFFAOYSA-N 0 0 193.206 1.317 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CCC[N@H+](C)CC1 82878451 573254820 /nfs/dbraw/zinc/25/48/20/573254820.db2.gz DLAQTLCHCGTYPB-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN COCc1ccccc1C(=O)NC#N 86077520 573254825 /nfs/dbraw/zinc/25/48/25/573254825.db2.gz VPQMRKDLKRMMOK-UHFFFAOYSA-N 0 0 190.202 1.044 10 0 ADAERN Cc1cc([C@H]([NH3+])CCC(=O)[O-])co1 82875563 573254830 /nfs/dbraw/zinc/25/48/30/573254830.db2.gz HHWKAMVHHUSPEU-MRVPVSSYSA-N 0 0 183.207 1.453 10 0 ADAERN CN(C)C(=S)NCC(C)(C)C 238318347 573254834 /nfs/dbraw/zinc/25/48/34/573254834.db2.gz PEIUTPWZAAFZJZ-UHFFFAOYSA-N 0 0 174.313 1.469 10 0 ADAERN OCC[C@@H](CO)COc1ccccc1 258259651 573254837 /nfs/dbraw/zinc/25/48/37/573254837.db2.gz TWXMSEPEAZUUOR-JTQLQIEISA-N 0 0 196.246 1.056 10 0 ADAERN N#CNC(=O)c1cccc2cc[nH]c12 86076908 573254859 /nfs/dbraw/zinc/25/48/59/573254859.db2.gz LEJWWOGECAOANV-UHFFFAOYSA-N 0 0 185.186 1.379 10 0 ADAERN OCCCc1ccc2c(c1)CCOC2 257979254 573254861 /nfs/dbraw/zinc/25/48/61/573254861.db2.gz DOIGDBHMJXCPQS-UHFFFAOYSA-N 0 0 192.258 1.684 10 0 ADAERN Cc1nc(C)c(C(C)(C)N(C)O)[nH]1 82876054 573254879 /nfs/dbraw/zinc/25/48/79/573254879.db2.gz PNCMRLMLSYGXGX-UHFFFAOYSA-N 0 0 183.255 1.583 10 0 ADAERN CC(C)CNC(=O)C[C@@H](O)C(C)C 308328732 573254880 /nfs/dbraw/zinc/25/48/80/573254880.db2.gz IXSFQMREXSMUAF-SECBINFHSA-N 0 0 187.283 1.166 10 0 ADAERN C[C@H](C[C@@H]([NH3+])c1ccc[nH]1)C(=O)[O-] 259395057 573254888 /nfs/dbraw/zinc/25/48/88/573254888.db2.gz NVMCKPLZAGVVMN-RNFRBKRXSA-N 0 0 182.223 1.125 10 0 ADAERN CSc1ccc(C(=O)NC#N)cc1 86076823 573254893 /nfs/dbraw/zinc/25/48/93/573254893.db2.gz FKKMDWYDBBYLIF-UHFFFAOYSA-N 0 0 192.243 1.619 10 0 ADAERN COc1ccccc1[C@H]1COC[C@@H]1O 687957731 573254912 /nfs/dbraw/zinc/25/49/12/573254912.db2.gz BFOLKUIDRRXTRD-ZJUUUORDSA-N 0 0 194.230 1.170 10 0 ADAERN C[C@H](O)[C@H]1Cc2cc(F)ccc2N1 258249042 573254914 /nfs/dbraw/zinc/25/49/14/573254914.db2.gz XRAAPNMKCFILJJ-QUBYGPBYSA-N 0 0 181.210 1.543 10 0 ADAERN CC(C)C[NH2+]CC[C@@H](C)C(=O)[O-] 258613044 573254923 /nfs/dbraw/zinc/25/49/23/573254923.db2.gz ISOUZTNKAZEQNQ-MRVPVSSYSA-N 0 0 173.256 1.343 10 0 ADAERN CSc1cc(CCCO)ccc1N 259053667 573254942 /nfs/dbraw/zinc/25/49/42/573254942.db2.gz AFRAPDSKJIKXFG-UHFFFAOYSA-N 0 0 197.303 1.916 10 0 ADAERN CNC1=NO[C@@H](c2ccccc2)C1 238318190 573254946 /nfs/dbraw/zinc/25/49/46/573254946.db2.gz ARDCYRLDGVARAH-SECBINFHSA-N 0 0 176.219 1.681 10 0 ADAERN CC1=C(C)/C(=C(\C)CO)OC1=O 223628087 573254951 /nfs/dbraw/zinc/25/49/51/573254951.db2.gz CGFDRYIAKUXHCZ-YVMONPNESA-N 0 0 168.192 1.146 10 0 ADAERN CC[C@H](O)c1nccnc1Cl 238318468 573254960 /nfs/dbraw/zinc/25/49/60/573254960.db2.gz AYLPGLZGHVVSJE-YFKPBYRVSA-N 0 0 172.615 1.573 10 0 ADAERN OCc1nc(C2CCC2)c[nH]1 258613259 573254966 /nfs/dbraw/zinc/25/49/66/573254966.db2.gz VZLQRDRSPVKGHL-UHFFFAOYSA-N 0 0 152.197 1.170 10 0 ADAERN CC[C@H]1Nc2cccnc2NC1=O 238318886 573254983 /nfs/dbraw/zinc/25/49/83/573254983.db2.gz PWXVVPKSNDWIRT-ZCFIWIBFSA-N 0 0 177.207 1.224 10 0 ADAERN CCc1ccc(C(=O)NC#N)cc1 86077399 573254986 /nfs/dbraw/zinc/25/49/86/573254986.db2.gz FNKZLADLSMJLCP-UHFFFAOYSA-N 0 0 174.203 1.460 10 0 ADAERN C[C@H](O)CCCN1C(=O)CC[C@@H]1C 308329025 573254990 /nfs/dbraw/zinc/25/49/90/573254990.db2.gz JDPIHQHTWACVFL-IUCAKERBSA-N 0 0 185.267 1.158 10 0 ADAERN CCc1cc(C(N)=S)cc(C)n1 238317699 573255001 /nfs/dbraw/zinc/25/50/01/573255001.db2.gz OCLRDEURDIEZAS-UHFFFAOYSA-N 0 0 180.276 1.587 10 0 ADAERN CCOc1ccc(C(=O)NC#N)cc1 86077694 573255011 /nfs/dbraw/zinc/25/50/11/573255011.db2.gz ZYBXPMDCDGNAOY-UHFFFAOYSA-N 0 0 190.202 1.296 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])c1ccc[nH]1)C(=O)[O-] 259395052 573255012 /nfs/dbraw/zinc/25/50/12/573255012.db2.gz NVMCKPLZAGVVMN-NKWVEPMBSA-N 0 0 182.223 1.125 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](CCO)O2 258259515 573255015 /nfs/dbraw/zinc/25/50/15/573255015.db2.gz YIYSOLSUAZQWBE-SNVBAGLBSA-N 0 0 178.231 1.681 10 0 ADAERN OCc1ccn(C2CCCCC2)n1 82876286 573255023 /nfs/dbraw/zinc/25/50/23/573255023.db2.gz KQMWPDYCGJIGJZ-UHFFFAOYSA-N 0 0 180.251 1.881 10 0 ADAERN N#CNC(=O)c1ccc(F)cc1 86076707 573255042 /nfs/dbraw/zinc/25/50/42/573255042.db2.gz ZFNIBVWPGNZDSJ-UHFFFAOYSA-N 0 0 164.139 1.037 10 0 ADAERN CC(C)N(C[C@@H](C)O)CC(F)(F)F 42778493 573255044 /nfs/dbraw/zinc/25/50/44/573255044.db2.gz BDECCDQIMUMBJE-SSDOTTSWSA-N 0 0 199.216 1.640 10 0 ADAERN CNC(=N)C(F)(F)C(F)(F)F 238317673 573255051 /nfs/dbraw/zinc/25/50/51/573255051.db2.gz VHOMSZOPXBLLNR-UHFFFAOYSA-N 0 0 176.088 1.381 10 0 ADAERN C[C@H]1CN(C)c2cc(CON)ccc21 258259477 573255073 /nfs/dbraw/zinc/25/50/73/573255073.db2.gz YIGQMMVIFSYQQV-QMMMGPOBSA-N 0 0 192.262 1.630 10 0 ADAERN Cc1c(O)cccc1NC=O 82879056 573255078 /nfs/dbraw/zinc/25/50/78/573255078.db2.gz WVMBBVRTZBDCKS-UHFFFAOYSA-N 0 0 151.165 1.269 10 0 ADAERN Cc1ccsc1C(=O)NC#N 86077560 573255081 /nfs/dbraw/zinc/25/50/81/573255081.db2.gz XXSXAZWCSKROAB-UHFFFAOYSA-N 0 0 166.205 1.267 10 0 ADAERN NC(=O)Nc1ccc(O)c(F)c1 82878390 573255091 /nfs/dbraw/zinc/25/50/91/573255091.db2.gz LFCSEDAHBBARPT-UHFFFAOYSA-N 0 0 170.143 1.022 10 0 ADAERN O=C1CN=C(c2ccc(Cl)cc2)N1 236048161 573255120 /nfs/dbraw/zinc/25/51/20/573255120.db2.gz FAMAKZAHHKHSGE-UHFFFAOYSA-N 0 0 194.621 1.216 10 0 ADAERN CN(C)c1cnnc(Cl)c1C=O 238318857 573255123 /nfs/dbraw/zinc/25/51/23/573255123.db2.gz PIXBIDOXLOTUHF-UHFFFAOYSA-N 0 0 185.614 1.009 10 0 ADAERN CC[C@H]([NH3+])c1cccc(O)c1C(=O)[O-] 238318146 573255143 /nfs/dbraw/zinc/25/51/43/573255143.db2.gz QUUFZOWFJCHJHI-ZETCQYMHSA-N 0 0 195.218 1.500 10 0 ADAERN CC(C)N(CCO)CC(F)(F)F 42778481 573255172 /nfs/dbraw/zinc/25/51/72/573255172.db2.gz QSWSQBJMKBYHMW-UHFFFAOYSA-N 0 0 185.189 1.251 10 0 ADAERN COc1cccc(F)c1C(=O)NC#N 86077483 573255179 /nfs/dbraw/zinc/25/51/79/573255179.db2.gz CEMZXBXXHYUNBS-UHFFFAOYSA-N 0 0 194.165 1.045 10 0 ADAERN C[C@@H](O)CCCN1C(=O)CC[C@H]1C 308329027 573255180 /nfs/dbraw/zinc/25/51/80/573255180.db2.gz JDPIHQHTWACVFL-RKDXNWHRSA-N 0 0 185.267 1.158 10 0 ADAERN N#CNC(=O)c1ccc(F)cc1F 86077167 573255190 /nfs/dbraw/zinc/25/51/90/573255190.db2.gz IXTDWMLAOIOJKA-UHFFFAOYSA-N 0 0 182.129 1.176 10 0 ADAERN CNC(=O)[C@@H]1[C@H](C)CC=CC1(C)C 238317674 573255206 /nfs/dbraw/zinc/25/52/06/573255206.db2.gz LVWUXMYODLSOIR-BDAKNGLRSA-N 0 0 181.279 1.971 10 0 ADAERN CC(C)[C@@H](C[NH2+]C1CCC1)C(=O)[O-] 258251660 573255210 /nfs/dbraw/zinc/25/52/10/573255210.db2.gz SREHLMJDZKNGEP-SECBINFHSA-N 0 0 185.267 1.485 10 0 ADAERN COC[C@H](C)c1nnc(C2CC2)o1 308328648 573255215 /nfs/dbraw/zinc/25/52/15/573255215.db2.gz HJYHNUXLVSJMHE-LURJTMIESA-N 0 0 182.223 1.697 10 0 ADAERN CSCc1cnc(C)n1C 258259468 573255218 /nfs/dbraw/zinc/25/52/18/573255218.db2.gz RUMJJPYPMSFIAR-UHFFFAOYSA-N 0 0 156.254 1.592 10 0 ADAERN CNc1nc2scc(C(C)C)n2n1 259395175 573255274 /nfs/dbraw/zinc/25/52/74/573255274.db2.gz YJBJPGBURKKRRV-UHFFFAOYSA-N 0 0 196.279 1.956 10 0 ADAERN CCOC(=O)C1(C(C)(C)C)COC1 259395474 573255282 /nfs/dbraw/zinc/25/52/82/573255282.db2.gz XAKGVEOZQKVNKK-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN Cc1ccc([C@@H](C)CO)c(C=O)c1 257978993 573255283 /nfs/dbraw/zinc/25/52/83/573255283.db2.gz JJOGVZLEJUBRNS-VIFPVBQESA-N 0 0 178.231 1.903 10 0 ADAERN O=C([O-])[C@@]1(c2ccco2)CCCC[NH2+]1 257980204 573256193 /nfs/dbraw/zinc/25/61/93/573256193.db2.gz DZWGUNWVRALGFJ-JTQLQIEISA-N 0 0 195.218 1.333 10 0 ADAERN CSCc1nnc2cccc(N)n12 258612845 573256166 /nfs/dbraw/zinc/25/61/66/573256166.db2.gz UEZZOQORFJJUFE-UHFFFAOYSA-N 0 0 194.263 1.175 10 0 ADAERN OCC[C@H](CO)COc1ccccc1 258259654 573255830 /nfs/dbraw/zinc/25/58/30/573255830.db2.gz TWXMSEPEAZUUOR-SNVBAGLBSA-N 0 0 196.246 1.056 10 0 ADAERN CC(C)C[C@@H]1CC(N)=NO1 258488284 573255831 /nfs/dbraw/zinc/25/58/31/573255831.db2.gz JSTIFODYKPAWLS-ZCFIWIBFSA-N 0 0 142.202 1.094 10 0 ADAERN CC1=CC[C@@H]2C[C@@](C[NH3+])(CC(=O)[O-])[C@@H]12 223954829 573255873 /nfs/dbraw/zinc/25/58/73/573255873.db2.gz DNCNUNNQHLHCSN-MIMYLULJSA-N 0 0 195.262 1.392 10 0 ADAERN O=C1C[C@@H]2CC3(C[C@H]2C1)OCCCO3 715734273 573255880 /nfs/dbraw/zinc/25/58/80/573255880.db2.gz SAPTUOPZLDHLDV-RKDXNWHRSA-N 0 0 196.246 1.509 10 0 ADAERN COCCOCOC(=O)CC(C)C 308328944 573255897 /nfs/dbraw/zinc/25/58/97/573255897.db2.gz HNEYIWQZRZJPBG-UHFFFAOYSA-N 0 0 190.239 1.196 10 0 ADAERN N#CNC(=O)c1cccc(Cl)c1 86077662 573255909 /nfs/dbraw/zinc/25/59/09/573255909.db2.gz WKCHQMOUAIYPKK-UHFFFAOYSA-N 0 0 180.594 1.551 10 0 ADAERN CCc1cc(C(=O)NC#N)sc1C 86076991 573255936 /nfs/dbraw/zinc/25/59/36/573255936.db2.gz GWAAKEKNOUHRKO-UHFFFAOYSA-N 0 0 194.259 1.830 10 0 ADAERN CC[C@@H](C)n1ccc(CO)n1 82876287 573255937 /nfs/dbraw/zinc/25/59/37/573255937.db2.gz HNLLWQRVFBJWPX-SSDOTTSWSA-N 0 0 154.213 1.346 10 0 ADAERN O=Cc1ccc2c[nH]nc2c1F 259394479 573255945 /nfs/dbraw/zinc/25/59/45/573255945.db2.gz LDNUUUAVCXTXSX-UHFFFAOYSA-N 0 0 164.139 1.515 10 0 ADAERN C/C(=C/c1csc(C)n1)CO 211928977 573255963 /nfs/dbraw/zinc/25/59/63/573255963.db2.gz JJVUABORLDBWFJ-UTCJRWHESA-N 0 0 169.249 1.847 10 0 ADAERN COc1ccc2c(c1)C[C@H]([C@@H](C)O)N2 258251490 573255977 /nfs/dbraw/zinc/25/59/77/573255977.db2.gz XVDPDWGLHWSBBA-RDDDGLTNSA-N 0 0 193.246 1.413 10 0 ADAERN OCCc1ccn(C2CCCC2)n1 82876460 573256007 /nfs/dbraw/zinc/25/60/07/573256007.db2.gz NOFYLNOJOJCNNH-UHFFFAOYSA-N 0 0 180.251 1.533 10 0 ADAERN N#CNC(=O)c1ccc(F)c(F)c1 86077013 573256011 /nfs/dbraw/zinc/25/60/11/573256011.db2.gz RSZSETYPECQAOD-UHFFFAOYSA-N 0 0 182.129 1.176 10 0 ADAERN CN(c1ccncc1)c1nnns1 259053803 573256035 /nfs/dbraw/zinc/25/60/35/573256035.db2.gz PXGITGXGXSJUJX-UHFFFAOYSA-N 0 0 193.235 1.096 10 0 ADAERN C[N@@H+]1CC[C@H]([C@@]2(C(=O)[O-])CC2(C)C)C1 259052419 573256089 /nfs/dbraw/zinc/25/60/89/573256089.db2.gz VLQKPYQLJLDUTD-GZMMTYOYSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@H](O)Cc1ccn(C2CCCC2)n1 82876398 573256104 /nfs/dbraw/zinc/25/61/04/573256104.db2.gz DHWUGIBFEGOVLL-VIFPVBQESA-N 0 0 194.278 1.922 10 0 ADAERN COC[C@@H](C)Nc1ccc(O)c(F)c1 82878595 573256111 /nfs/dbraw/zinc/25/61/11/573256111.db2.gz XGHDHIOBYUKMDO-SSDOTTSWSA-N 0 0 199.225 1.978 10 0 ADAERN CC/C(C(=O)[O-])=C1\CC[N@@H+](C2CC2)C1 642883873 573256124 /nfs/dbraw/zinc/25/61/24/573256124.db2.gz QOZBDBPHQWFZHV-NTMALXAHSA-N 0 0 195.262 1.646 10 0 ADAERN N#CNC(=O)c1cc2c(s1)CCC2 86077419 573256128 /nfs/dbraw/zinc/25/61/28/573256128.db2.gz CKTZMBFXVWTPFC-UHFFFAOYSA-N 0 0 192.243 1.448 10 0 ADAERN CC[C@H]1O[C@H]2CCCC[C@@H]2NC1=O 238319164 573256140 /nfs/dbraw/zinc/25/61/40/573256140.db2.gz JOXROYSPCDCYAT-YIZRAAEISA-N 0 0 183.251 1.223 10 0 ADAERN CCNC(=O)/C=C(\C)Cl 211922234 573256142 /nfs/dbraw/zinc/25/61/42/573256142.db2.gz ICGSFGYWSAXAID-SNAWJCMRSA-N 0 0 147.605 1.265 10 0 ADAERN C/C(=C/C(C)(C)C)C(=O)OCCO 308328528 573256152 /nfs/dbraw/zinc/25/61/52/573256152.db2.gz ITFRUQFFWTYDPQ-FPLPWBNLSA-N 0 0 186.251 1.514 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)NC(=O)C2 257980835 573256781 /nfs/dbraw/zinc/25/67/81/573256781.db2.gz JPYCFSDINHLOQU-ZCFIWIBFSA-N 0 0 177.203 1.235 10 0 ADAERN Cc1ccc2c(c1)cc(CON)n2C 258259595 573256344 /nfs/dbraw/zinc/25/63/44/573256344.db2.gz RXHKNSKUMYHCDF-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN C=CC(=O)Nc1ccc(C)c(O)c1 82879212 573256365 /nfs/dbraw/zinc/25/63/65/573256365.db2.gz WPHMCLJYCHGYAY-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN N#CNC(=O)c1cccc(F)c1 86076882 573256371 /nfs/dbraw/zinc/25/63/71/573256371.db2.gz JWJIYTXEZOFVJV-UHFFFAOYSA-N 0 0 164.139 1.037 10 0 ADAERN C[C@@H]1COc2cccc(CON)c21 258249120 573256382 /nfs/dbraw/zinc/25/63/82/573256382.db2.gz XRQMOJRIBZDGAD-SSDOTTSWSA-N 0 0 179.219 1.573 10 0 ADAERN CCc1cc2nc(Cl)cc(N)n2n1 238319136 573256384 /nfs/dbraw/zinc/25/63/84/573256384.db2.gz XHEYLZAKSYJMAR-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN COc1cccc(SC)c1CNO 258260224 573256399 /nfs/dbraw/zinc/25/63/99/573256399.db2.gz YJAWJPBHUQSBJU-UHFFFAOYSA-N 0 0 199.275 1.896 10 0 ADAERN COc1ncc(C2CCC2)cc1N 257981492 573256416 /nfs/dbraw/zinc/25/64/16/573256416.db2.gz ZTLFBPRLUSVEMR-UHFFFAOYSA-N 0 0 178.235 1.940 10 0 ADAERN COCCc1ccc(CON)cc1 257980825 573256763 /nfs/dbraw/zinc/25/67/63/573256763.db2.gz JOYLAIJGDAUZTG-UHFFFAOYSA-N 0 0 181.235 1.266 10 0 ADAERN CCO[C@@H](C)C(=O)OCC(C)(C)F 308328436 573256425 /nfs/dbraw/zinc/25/64/25/573256425.db2.gz HFOLJKQNAFQSFB-ZETCQYMHSA-N 0 0 192.230 1.703 10 0 ADAERN CONCc1cc(C)c(OC)c(F)c1 258250122 573256432 /nfs/dbraw/zinc/25/64/32/573256432.db2.gz XMZBUDGXHHLCDR-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN N#CNC(=O)c1ccc(Cl)cc1F 86076779 573256437 /nfs/dbraw/zinc/25/64/37/573256437.db2.gz PRNFTQIWWNFIQZ-UHFFFAOYSA-N 0 0 198.584 1.690 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]1CCC[N@H+](C)C1 82878467 573256440 /nfs/dbraw/zinc/25/64/40/573256440.db2.gz DUAFYHSVMBEKCS-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN N#CNC(=O)c1cc2ccccc2o1 86077296 573256463 /nfs/dbraw/zinc/25/64/63/573256463.db2.gz JVXFORUURJIAQC-UHFFFAOYSA-N 0 0 186.170 1.644 10 0 ADAERN Cc1noc([C@@H]2CCCCO2)c1N 257981456 573256468 /nfs/dbraw/zinc/25/64/68/573256468.db2.gz ZTCXQBRUAJPGOU-ZETCQYMHSA-N 0 0 182.223 1.807 10 0 ADAERN C[N@@H+]1CCC[C@@H](C/C=C\C(=O)[O-])C1 258260044 573256473 /nfs/dbraw/zinc/25/64/73/573256473.db2.gz RDNVSQKGTCMHPZ-MEHWWPQUSA-N 0 0 183.251 1.359 10 0 ADAERN C[C@@H](O)c1cccc(C2COC2)c1 257980811 573256488 /nfs/dbraw/zinc/25/64/88/573256488.db2.gz JNWSGKOCQLISKM-MRVPVSSYSA-N 0 0 178.231 1.854 10 0 ADAERN ONCc1ccc(-n2cccn2)cc1 82881073 573256512 /nfs/dbraw/zinc/25/65/12/573256512.db2.gz LVPACGKYCNCWEC-UHFFFAOYSA-N 0 0 189.218 1.351 10 0 ADAERN Cc1ccc(C(=O)NC#N)c(C)c1 86077403 573256518 /nfs/dbraw/zinc/25/65/18/573256518.db2.gz UJRDEGLQWXJXTI-UHFFFAOYSA-N 0 0 174.203 1.514 10 0 ADAERN CN(C)C(=S)[C@H](O)c1ccccc1 238319016 573256530 /nfs/dbraw/zinc/25/65/30/573256530.db2.gz BDPQSYOSFNUMQS-SECBINFHSA-N 0 0 195.287 1.609 10 0 ADAERN CC[C@]1(C)NC(=O)c2cccnc2N1 238319049 573256536 /nfs/dbraw/zinc/25/65/36/573256536.db2.gz MJDKKJGWXLBDQE-JTQLQIEISA-N 0 0 191.234 1.363 10 0 ADAERN O=C(c1c[nH]cn1)c1cccnc1F 116297717 573256546 /nfs/dbraw/zinc/25/65/46/573256546.db2.gz SAEAEUBEKCVKMY-UHFFFAOYSA-N 0 0 191.165 1.175 10 0 ADAERN Cc1noc([C@H]2CCCCO2)c1N 257981453 573256550 /nfs/dbraw/zinc/25/65/50/573256550.db2.gz ZTCXQBRUAJPGOU-SSDOTTSWSA-N 0 0 182.223 1.807 10 0 ADAERN Nc1cccnc1NCC(F)F 116321969 573256610 /nfs/dbraw/zinc/25/66/10/573256610.db2.gz CAICQGFFARGWEP-UHFFFAOYSA-N 0 0 173.166 1.341 10 0 ADAERN CCNC(=O)Nc1ccc(O)c(F)c1 82878388 573256639 /nfs/dbraw/zinc/25/66/39/573256639.db2.gz USJQAJJRFCVSRK-UHFFFAOYSA-N 0 0 198.197 1.673 10 0 ADAERN C[C@H](O)c1cccc(C2COC2)c1 257980812 573256664 /nfs/dbraw/zinc/25/66/64/573256664.db2.gz JNWSGKOCQLISKM-QMMMGPOBSA-N 0 0 178.231 1.854 10 0 ADAERN C/C=C\C(=O)OCCC(=O)OCC 308328040 573256711 /nfs/dbraw/zinc/25/67/11/573256711.db2.gz GWPMUSBHVGOCPM-HYXAFXHYSA-N 0 0 186.207 1.059 10 0 ADAERN CN(C)C(=S)c1cccc(C=O)c1 238319174 573256732 /nfs/dbraw/zinc/25/67/32/573256732.db2.gz LJTSVYMJVQXCSF-UHFFFAOYSA-N 0 0 193.271 1.736 10 0 ADAERN CCC/C=C(/CNC(C)=O)C(=O)OC 215114799 573256771 /nfs/dbraw/zinc/25/67/71/573256771.db2.gz NPEWSBZWSYSHEB-TWGQIWQCSA-N 0 0 199.250 1.022 10 0 ADAERN CC[C@@]1(C)c2ccccc2C(=O)[C@H]1O 238319456 573256774 /nfs/dbraw/zinc/25/67/74/573256774.db2.gz IXKHVWKJTZXXJA-NEPJUHHUSA-N 0 0 190.242 1.912 10 0 ADAERN CC(C)[C@@H]1CCCC[C@@]1([NH3+])C(=O)[O-] 116319377 573257411 /nfs/dbraw/zinc/25/74/11/573257411.db2.gz QLVXDMJEWDAABN-WPRPVWTQSA-N 0 0 185.267 1.615 10 0 ADAERN CNc1c(-c2cc[nH]c2)n[nH]c1C 259055352 573257482 /nfs/dbraw/zinc/25/74/82/573257482.db2.gz DHYVSHSOQKIASZ-UHFFFAOYSA-N 0 0 176.223 1.755 10 0 ADAERN CO[C@@H](C)CC[NH2+]Cc1ccoc1 308329335 573257654 /nfs/dbraw/zinc/25/76/54/573257654.db2.gz HZBONVJXCOEHDB-VIFPVBQESA-N 0 0 183.251 1.794 10 0 ADAERN O=C1CCN(CC[C@@H]2CCCCO2)C1 223627364 573257421 /nfs/dbraw/zinc/25/74/21/573257421.db2.gz PADCQFBLLPYWPT-NSHDSACASA-N 0 0 197.278 1.220 10 0 ADAERN Cc1cc(F)cc([C@@H](O)[C@H](C)O)c1 235558189 573257448 /nfs/dbraw/zinc/25/74/48/573257448.db2.gz VXZLPRVNOGIPKO-XVKPBYJWSA-N 0 0 184.210 1.548 10 0 ADAERN CCC1(COC(=O)C2COC2)CC1 393512934 573257457 /nfs/dbraw/zinc/25/74/57/573257457.db2.gz VEWBGYZNMCTWJS-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN CO[C@H](C)CC[NH2+]Cc1ccoc1 308329333 573257461 /nfs/dbraw/zinc/25/74/61/573257461.db2.gz HZBONVJXCOEHDB-SECBINFHSA-N 0 0 183.251 1.794 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1)C[C@H](C)N2 258261332 573257663 /nfs/dbraw/zinc/25/76/63/573257663.db2.gz YJULIQYCOCUKFP-IUCAKERBSA-N 0 0 191.274 1.966 10 0 ADAERN Cn1cc(C(=O)[C@H](O)C(C)(C)C)cn1 236066976 573257493 /nfs/dbraw/zinc/25/74/93/573257493.db2.gz WZXULJLITVTZSF-VIFPVBQESA-N 0 0 196.250 1.010 10 0 ADAERN CC(C)N(C[C@H](C)O)CC(F)(F)F 42778495 573257505 /nfs/dbraw/zinc/25/75/05/573257505.db2.gz BDECCDQIMUMBJE-ZETCQYMHSA-N 0 0 199.216 1.640 10 0 ADAERN CN(C)C(=S)c1ccc[nH]1 238319159 573257541 /nfs/dbraw/zinc/25/75/41/573257541.db2.gz KDSRNQOBKNORCG-UHFFFAOYSA-N 0 0 154.238 1.252 10 0 ADAERN C[C@@H](CO)c1ccccc1NC(N)=O 257981446 573257666 /nfs/dbraw/zinc/25/76/66/573257666.db2.gz DRSZIPNLBNRXDR-ZETCQYMHSA-N 0 0 194.234 1.273 10 0 ADAERN C[C@H](O)CCC(=O)Nc1cccnc1 86086009 573257558 /nfs/dbraw/zinc/25/75/58/573257558.db2.gz HLQHAFSSDKUDOM-QMMMGPOBSA-N 0 0 194.234 1.181 10 0 ADAERN CNc1ccc2nc(N)sc2c1 238319309 573257580 /nfs/dbraw/zinc/25/75/80/573257580.db2.gz APLBOOKBIGVTSR-UHFFFAOYSA-N 0 0 179.248 1.920 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1)C[C@@H](C)N2 258261324 573257582 /nfs/dbraw/zinc/25/75/82/573257582.db2.gz YJULIQYCOCUKFP-BDAKNGLRSA-N 0 0 191.274 1.966 10 0 ADAERN CNC(=O)[C@@]1(c2ccccc2)N=C1C 238319509 573257600 /nfs/dbraw/zinc/25/76/00/573257600.db2.gz ADWZPTURMUPMBC-LLVKDONJSA-N 0 0 188.230 1.102 10 0 ADAERN CC(C)(C)[Si](C)(C)C[C@H](O)CO 230520573 573257602 /nfs/dbraw/zinc/25/76/02/573257602.db2.gz WKSBGCZYMXJICN-MRVPVSSYSA-N 0 0 190.359 1.848 10 0 ADAERN NC1=NO[C@@H](c2cccc(O)c2)C1 257980665 573257621 /nfs/dbraw/zinc/25/76/21/573257621.db2.gz ZPWOJXJCDNWCIZ-MRVPVSSYSA-N 0 0 178.191 1.126 10 0 ADAERN CNOCC(C)(C)C 77993716 573266266 /nfs/dbraw/zinc/26/62/66/573266266.db2.gz HJNVATFQWPIAFM-UHFFFAOYSA-N 0 0 117.192 1.184 10 0 ADAERN CO[C@@H](c1ccc[nH]1)N(C)C 259056874 573261862 /nfs/dbraw/zinc/26/18/62/573261862.db2.gz CJYYXEJXTRBTRR-QMMMGPOBSA-N 0 0 154.213 1.221 10 0 ADAERN Cc1coc(/C=C\C(=O)N(C)C)n1 308329041 573258665 /nfs/dbraw/zinc/25/86/65/573258665.db2.gz HQJWDNKNBNSLFQ-PLNGDYQASA-N 0 0 180.207 1.084 10 0 ADAERN COC[C@@H](OC(=O)C(F)F)C1CC1 308329555 573258631 /nfs/dbraw/zinc/25/86/31/573258631.db2.gz IBMTVKOHMONGRD-ZCFIWIBFSA-N 0 0 194.177 1.220 10 0 ADAERN CCc1coc(CO)c1CC 238325867 573259774 /nfs/dbraw/zinc/25/97/74/573259774.db2.gz KHGCLTBVXICZGB-UHFFFAOYSA-N 0 0 154.209 1.897 10 0 ADAERN Cc1ncccc1NC(=O)CCCO 86086783 573259730 /nfs/dbraw/zinc/25/97/30/573259730.db2.gz IKKYNSGNWRROPP-UHFFFAOYSA-N 0 0 194.234 1.101 10 0 ADAERN O=C(CCO)CC[C@H]1CCCC1=O 238637686 573259748 /nfs/dbraw/zinc/25/97/48/573259748.db2.gz DXSGMXQHTVPQPF-MRVPVSSYSA-N 0 0 184.235 1.087 10 0 ADAERN CN1CC(=O)N=C1C1CCOCC1 236061536 573259385 /nfs/dbraw/zinc/25/93/85/573259385.db2.gz RPHAWCKWNAPVEP-UHFFFAOYSA-N 0 0 182.223 1.020 10 0 ADAERN O=C1CCC(c2cn[nH]c2)CC1 259057541 573259388 /nfs/dbraw/zinc/25/93/88/573259388.db2.gz BETWXDDRIOHKJK-UHFFFAOYSA-N 0 0 164.208 1.636 10 0 ADAERN O=C1CCn2c1nc1ccccc12 257980740 573259393 /nfs/dbraw/zinc/25/93/93/573259393.db2.gz ZREDBRLFHIDBIW-UHFFFAOYSA-N 0 0 172.187 1.623 10 0 ADAERN CC/C=C/C(=O)N(C)CC[C@@H](C)O 308329541 573259412 /nfs/dbraw/zinc/25/94/12/573259412.db2.gz IASMIUWHDGQBHC-VUHVRTRXSA-N 0 0 185.267 1.182 10 0 ADAERN Cc1ccc(F)c([C@@H](O)[C@H](C)O)c1 235558221 573259442 /nfs/dbraw/zinc/25/94/42/573259442.db2.gz VALLQSYEHKKMHK-XVKPBYJWSA-N 0 0 184.210 1.548 10 0 ADAERN CCn1c(=O)[nH]c2c(OC)cccc21 257981410 573259459 /nfs/dbraw/zinc/25/94/59/573259459.db2.gz HEHLKRGLBKYKPB-UHFFFAOYSA-N 0 0 192.218 1.358 10 0 ADAERN COC(=S)[C@@H](O)c1ccccc1 238326519 573259499 /nfs/dbraw/zinc/25/94/99/573259499.db2.gz HYVAOHIVWRUTOW-QMMMGPOBSA-N 0 0 182.244 1.694 10 0 ADAERN CC(=O)c1nc(-c2ccncc2)c[nH]1 259059484 573259502 /nfs/dbraw/zinc/25/95/02/573259502.db2.gz JOUQLJYYZZBNNI-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN Cc1cc(F)ccc1[C@@H](O)[C@H](C)O 235558554 573259523 /nfs/dbraw/zinc/25/95/23/573259523.db2.gz HSSZBWSFBDUCBN-XVKPBYJWSA-N 0 0 184.210 1.548 10 0 ADAERN CC(=O)n1c(=S)[nH]c2cncnc21 142342811 573259524 /nfs/dbraw/zinc/25/95/24/573259524.db2.gz YWNYLWUCSRSHLW-UHFFFAOYSA-N 0 0 194.219 1.149 10 0 ADAERN OC[C@H]1CCNc2cc(O)ccc21 257980611 573259537 /nfs/dbraw/zinc/25/95/37/573259537.db2.gz ZPGCTFAZYMKXGZ-SSDOTTSWSA-N 0 0 179.219 1.284 10 0 ADAERN Cc1cc(C(=O)NC#N)sc1C 86085142 573259762 /nfs/dbraw/zinc/25/97/62/573259762.db2.gz NBXCXXNRFMBMOY-UHFFFAOYSA-N 0 0 180.232 1.576 10 0 ADAERN C[C@@H](O)c1cnc(-c2ccco2)o1 258260538 573259557 /nfs/dbraw/zinc/25/95/57/573259557.db2.gz XGLWNIKJHVIOGX-ZCFIWIBFSA-N 0 0 179.175 1.988 10 0 ADAERN C[C@@](CO)(CON)C1CCCCC1 257981482 573259573 /nfs/dbraw/zinc/25/95/73/573259573.db2.gz ZTIUQZHEKXVNHA-SNVBAGLBSA-N 0 0 187.283 1.456 10 0 ADAERN CC(C)CC(F)(F)C(=N)N 259399151 573259578 /nfs/dbraw/zinc/25/95/78/573259578.db2.gz RUAZYYGHSMRBFM-UHFFFAOYSA-N 0 0 150.172 1.604 10 0 ADAERN CN(CO)c1ccc(Cl)cc1 238326832 573259589 /nfs/dbraw/zinc/25/95/89/573259589.db2.gz JPCRKZMRCHYQAH-UHFFFAOYSA-N 0 0 171.627 1.726 10 0 ADAERN CNc1nc(C)nnc1C(C)(C)C 259058279 573259598 /nfs/dbraw/zinc/25/95/98/573259598.db2.gz DLTHMYRYYDJHGY-UHFFFAOYSA-N 0 0 180.255 1.519 10 0 ADAERN OCc1nc(C2CCCC2)co1 258613676 573259601 /nfs/dbraw/zinc/25/96/01/573259601.db2.gz WAWKAMYTIWDLCP-UHFFFAOYSA-N 0 0 167.208 1.825 10 0 ADAERN COCc1ccc(N)cc1O 238326612 573259604 /nfs/dbraw/zinc/25/96/04/573259604.db2.gz NBRNEFLSMRZJFC-UHFFFAOYSA-N 0 0 153.181 1.121 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(O)ccc2O1 258261352 573259607 /nfs/dbraw/zinc/25/96/07/573259607.db2.gz YJWKNIKFNGFVEF-JTQLQIEISA-N 0 0 178.187 1.285 10 0 ADAERN C=CS(=O)(=O)CCC(C)C 116311032 573259608 /nfs/dbraw/zinc/25/96/08/573259608.db2.gz KDRFQZTYGIMVKK-UHFFFAOYSA-N 0 0 162.254 1.591 10 0 ADAERN Clc1ncc2c(n1)CCOCC2 257981686 573259621 /nfs/dbraw/zinc/25/96/21/573259621.db2.gz ZVFXQVHTXLOUJF-UHFFFAOYSA-N 0 0 184.626 1.245 10 0 ADAERN Cc1cc(C(=O)NC#N)ccc1F 86085159 573259628 /nfs/dbraw/zinc/25/96/28/573259628.db2.gz VVPRLEIJJAMJQJ-UHFFFAOYSA-N 0 0 178.166 1.345 10 0 ADAERN CCOC(=O)[C@@H](N)CCCSC 129220204 573259643 /nfs/dbraw/zinc/25/96/43/573259643.db2.gz MEQLKWVNRDOFQW-ZETCQYMHSA-N 0 0 191.296 1.020 10 0 ADAERN OCC1(Cc2ccc[nH]2)CC1 259058612 573259654 /nfs/dbraw/zinc/25/96/54/573259654.db2.gz FTDJUWQAFSKDSB-UHFFFAOYSA-N 0 0 151.209 1.330 10 0 ADAERN C[C@@H](O)CCC(=O)Nc1cccnc1 86086010 573259679 /nfs/dbraw/zinc/25/96/79/573259679.db2.gz HLQHAFSSDKUDOM-MRVPVSSYSA-N 0 0 194.234 1.181 10 0 ADAERN N#CNC(=O)c1ccc(F)cc1Cl 86085144 573259701 /nfs/dbraw/zinc/25/97/01/573259701.db2.gz GAVFQAPWRUJUAC-UHFFFAOYSA-N 0 0 198.584 1.690 10 0 ADAERN CC[N@@H+]1CCC=C(CCC(=O)[O-])C1 258263397 573259709 /nfs/dbraw/zinc/25/97/09/573259709.db2.gz YPOQUAWJFVMSRP-UHFFFAOYSA-N 0 0 183.251 1.503 10 0 ADAERN CC(C)[C@@H]([NH+](C)C)C1(C(=O)[O-])CC1 259397497 573259716 /nfs/dbraw/zinc/25/97/16/573259716.db2.gz HERCDCBIVCRLHS-MRVPVSSYSA-N 0 0 185.267 1.437 10 0 ADAERN Nc1ccc(F)c(N2CC=CC2)c1 116295051 573259804 /nfs/dbraw/zinc/25/98/04/573259804.db2.gz UQIOJQFWOLBSFK-UHFFFAOYSA-N 0 0 178.210 1.784 10 0 ADAERN CCC(=O)Nc1ccc(O)c(F)c1 82888520 573260200 /nfs/dbraw/zinc/26/02/00/573260200.db2.gz DZTITNITDSAPPD-UHFFFAOYSA-N 0 0 183.182 1.880 10 0 ADAERN CC(C)[C@H]1CC[C@@]2(C)O[C@H]2C1=O 105388067 573260024 /nfs/dbraw/zinc/26/00/24/573260024.db2.gz IAFONZHDZMCORS-FKTZTGRPSA-N 0 0 168.236 1.779 10 0 ADAERN CNC(=O)CCc1c(C)cccc1C 238326745 573260025 /nfs/dbraw/zinc/26/00/25/573260025.db2.gz KVIWAKBQJDXUMS-UHFFFAOYSA-N 0 0 191.274 1.982 10 0 ADAERN O=Cc1cc(C2CCOCC2)ncn1 259058844 573260037 /nfs/dbraw/zinc/26/00/37/573260037.db2.gz MHLKWCJMHGTDOD-UHFFFAOYSA-N 0 0 192.218 1.183 10 0 ADAERN COC[C@@H](C)C(=O)OC1CC(C)C1 308331592 573260038 /nfs/dbraw/zinc/26/00/38/573260038.db2.gz IZBGPCCMCHGULG-QJAFJHJLSA-N 0 0 186.251 1.611 10 0 ADAERN CC(C)CCc1noc(CCCO)n1 86085485 573260071 /nfs/dbraw/zinc/26/00/71/573260071.db2.gz OPDIIEUUGFKEFG-UHFFFAOYSA-N 0 0 198.266 1.583 10 0 ADAERN CCCC(=O)Nc1cc(N)ccc1O 142299821 573260099 /nfs/dbraw/zinc/26/00/99/573260099.db2.gz NQHMPJKVGIXRQA-UHFFFAOYSA-N 0 0 194.234 1.713 10 0 ADAERN CC(C)CC[C@@H]([NH2+]CC(=O)[O-])C1CC1 308531140 573260101 /nfs/dbraw/zinc/26/01/01/573260101.db2.gz KCPLILBXPPKDTP-SNVBAGLBSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1[nH]nc2c(C)c(C=O)ccc12 259394281 573260117 /nfs/dbraw/zinc/26/01/17/573260117.db2.gz LAKFTYSBRPRLRM-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN CC(C)[C@H]1CCCC[C@]1([NH3+])C(=O)[O-] 116319374 573260159 /nfs/dbraw/zinc/26/01/59/573260159.db2.gz QLVXDMJEWDAABN-PSASIEDQSA-N 0 0 185.267 1.615 10 0 ADAERN CNc1cc(C)c(OC)cc1C=O 238326787 573260169 /nfs/dbraw/zinc/26/01/69/573260169.db2.gz KXHJWXPHDFOIBV-UHFFFAOYSA-N 0 0 179.219 1.858 10 0 ADAERN Cc1ccc(-c2noc(N)n2)o1 257981881 573260173 /nfs/dbraw/zinc/26/01/73/573260173.db2.gz LAUFCAYKFZZPDM-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN OC1(Cc2cccc3c2CCO3)CC1 257984892 573260192 /nfs/dbraw/zinc/26/01/92/573260192.db2.gz FCFRWIUYTSZGTA-UHFFFAOYSA-N 0 0 190.242 1.689 10 0 ADAERN CN1C=C(C(N)=O)Cc2sccc21 238326173 573260207 /nfs/dbraw/zinc/26/02/07/573260207.db2.gz YZGCZBMJLGINPP-UHFFFAOYSA-N 0 0 194.259 1.110 10 0 ADAERN OCc1cccc2c1CCCN2 116320206 573260215 /nfs/dbraw/zinc/26/02/15/573260215.db2.gz HSRHUFBFSRPAFJ-UHFFFAOYSA-N 0 0 163.220 1.537 10 0 ADAERN Cn1cnc(CNOC(C)(C)C)c1 308331532 573260222 /nfs/dbraw/zinc/26/02/22/573260222.db2.gz KVSZCXWBSQAGCA-UHFFFAOYSA-N 0 0 183.255 1.240 10 0 ADAERN CCOC(=S)NC(=S)OCC 142308200 573260227 /nfs/dbraw/zinc/26/02/27/573260227.db2.gz WUVUOPQGIVJWEF-UHFFFAOYSA-N 0 0 193.293 1.219 10 0 ADAERN COCc1ccc(F)c2c1CC[C@@H]2O 238326258 573260235 /nfs/dbraw/zinc/26/02/35/573260235.db2.gz SNNRZADPDOGMSD-JTQLQIEISA-N 0 0 196.221 1.952 10 0 ADAERN CC1(C)C[C@@]1(CO)C1CCOCC1 259057699 573260243 /nfs/dbraw/zinc/26/02/43/573260243.db2.gz WHOBJZVGEXZWCY-LLVKDONJSA-N 0 0 184.279 1.822 10 0 ADAERN C[N@@H+](C1CC1)[C@@H](C(=O)[O-])c1ccc[nH]1 259056912 573260255 /nfs/dbraw/zinc/26/02/55/573260255.db2.gz MDFPXKVKJHMYFK-SECBINFHSA-N 0 0 194.234 1.235 10 0 ADAERN CON(C)C(=O)c1cc(C)cnc1F 116298376 573260257 /nfs/dbraw/zinc/26/02/57/573260257.db2.gz SKKGTLZGDNPWSS-UHFFFAOYSA-N 0 0 198.197 1.163 10 0 ADAERN COc1cc(C(=O)NC#N)ccc1C 86085120 573260266 /nfs/dbraw/zinc/26/02/66/573260266.db2.gz HGWWUUAEIANYSQ-UHFFFAOYSA-N 0 0 190.202 1.215 10 0 ADAERN COc1cc(O)ccc1C1(O)CC1 257982749 573260285 /nfs/dbraw/zinc/26/02/85/573260285.db2.gz JWJHMWWDRCJQDD-UHFFFAOYSA-N 0 0 180.203 1.382 10 0 ADAERN CCN1CCC[C@H]1c1ncc(CO)o1 258262734 573260291 /nfs/dbraw/zinc/26/02/91/573260291.db2.gz XKHHLMGXDSCCJK-VIFPVBQESA-N 0 0 196.250 1.324 10 0 ADAERN O=C1CCNc2nc(Cl)ccc2N1 116322198 573260308 /nfs/dbraw/zinc/26/03/08/573260308.db2.gz PEARXTWZZWZJJN-UHFFFAOYSA-N 0 0 197.625 1.489 10 0 ADAERN Cc1nc(=O)[nH]c2c1CCSC2 257983050 573260342 /nfs/dbraw/zinc/26/03/42/573260342.db2.gz ZVVNPIKFDPFCAY-UHFFFAOYSA-N 0 0 182.248 1.280 10 0 ADAERN CONC(=O)N(OC)C1CCCC1 308332414 573260360 /nfs/dbraw/zinc/26/03/60/573260360.db2.gz JKMTZKMSQMJFJM-UHFFFAOYSA-N 0 0 188.227 1.063 10 0 ADAERN NOCc1c(F)ccc2occc12 257982702 573260391 /nfs/dbraw/zinc/26/03/91/573260391.db2.gz JVCXHKDCALRXLB-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN COCc1ccc(F)cc1OC 238326355 573260392 /nfs/dbraw/zinc/26/03/92/573260392.db2.gz GPIQKYALZAHKIQ-UHFFFAOYSA-N 0 0 170.183 1.981 10 0 ADAERN Cn1cc(C(=O)[C@@H](O)C(C)(C)C)cn1 236066955 573260400 /nfs/dbraw/zinc/26/04/00/573260400.db2.gz WZXULJLITVTZSF-SECBINFHSA-N 0 0 196.250 1.010 10 0 ADAERN Cc1noc([C@H]2CCOC2)c1N 258614076 573260409 /nfs/dbraw/zinc/26/04/09/573260409.db2.gz WCGNEJMMJQUHAF-LURJTMIESA-N 0 0 168.196 1.069 10 0 ADAERN C[C@@H](O)CCc1nnc(Cl)s1 86085634 573260436 /nfs/dbraw/zinc/26/04/36/573260436.db2.gz AHMAEWJYLDCPNP-SCSAIBSYSA-N 0 0 192.671 1.505 10 0 ADAERN CN1CC(=O)N=C1C1CCC1 236061468 573260441 /nfs/dbraw/zinc/26/04/41/573260441.db2.gz GKJSZTSEYRYDTR-UHFFFAOYSA-N 0 0 152.197 1.393 10 0 ADAERN C=COCCOC(=O)/C=C\C1CC1 308331534 573260955 /nfs/dbraw/zinc/26/09/55/573260955.db2.gz KVXNVOJTJJTLCV-WAYWQWQTSA-N 0 0 182.219 1.656 10 0 ADAERN C[C@@H](O)CCC(=O)Nc1ccsc1 86086781 573260480 /nfs/dbraw/zinc/26/04/80/573260480.db2.gz UMVVTGYQNHZNFX-SSDOTTSWSA-N 0 0 199.275 1.848 10 0 ADAERN COC(=O)/C=C\C[C@@H]1CCSC1 258262308 573260483 /nfs/dbraw/zinc/26/04/83/573260483.db2.gz RHNKIEOYCLDUJO-DLRBJTRDSA-N 0 0 186.276 1.859 10 0 ADAERN Cc1ccc(C(=O)NC#N)cc1F 86085186 573260515 /nfs/dbraw/zinc/26/05/15/573260515.db2.gz IOXIUAGFPNKRFY-UHFFFAOYSA-N 0 0 178.166 1.345 10 0 ADAERN C[C@@H]1O[C@H](C)Cc2nc(N)sc21 116323410 573260528 /nfs/dbraw/zinc/26/05/28/573260528.db2.gz UFYIWZHJBCLUKF-UHNVWZDZSA-N 0 0 184.264 1.748 10 0 ADAERN COC(=O)c1n[nH]cc1C1CC1 259394303 573260564 /nfs/dbraw/zinc/26/05/64/573260564.db2.gz JEZQGLNVIPGXAU-UHFFFAOYSA-N 0 0 166.180 1.074 10 0 ADAERN CC(C)OC(C)(C)CCO 116291448 573260571 /nfs/dbraw/zinc/26/05/71/573260571.db2.gz QOHXMJKCBVDLJM-UHFFFAOYSA-N 0 0 146.230 1.572 10 0 ADAERN CC(C)(CO)CNc1ccccc1N 116320564 573260582 /nfs/dbraw/zinc/26/05/82/573260582.db2.gz XANLEUHEXUIFBB-UHFFFAOYSA-N 0 0 194.278 1.699 10 0 ADAERN CN1C=CN[C@@H]1SC(C)(C)C 238326855 573260587 /nfs/dbraw/zinc/26/05/87/573260587.db2.gz TXSKMUBSVWNILU-ZETCQYMHSA-N 0 0 172.297 1.808 10 0 ADAERN C[C@H](O)CCc1nc2cccnc2[nH]1 86085535 573260588 /nfs/dbraw/zinc/26/05/88/573260588.db2.gz ANRQDSNJTYUOPI-ZETCQYMHSA-N 0 0 191.234 1.271 10 0 ADAERN O=CNc1ccc(O)c(F)c1 82888517 573260590 /nfs/dbraw/zinc/26/05/90/573260590.db2.gz GARWHDMAKRKKOP-UHFFFAOYSA-N 0 0 155.128 1.100 10 0 ADAERN COC(=O)c1cnc(CC(C)C)n1C 259398835 573260616 /nfs/dbraw/zinc/26/06/16/573260616.db2.gz QPNVXDMWRNAPQR-UHFFFAOYSA-N 0 0 196.250 1.405 10 0 ADAERN O[C@H]1CCCn2cnc(Cl)c21 258264452 573260624 /nfs/dbraw/zinc/26/06/24/573260624.db2.gz MMCHEABTLCEKEA-YFKPBYRVSA-N 0 0 172.615 1.364 10 0 ADAERN NO[C@@H](CCO)c1ccc(F)cc1 257983162 573260663 /nfs/dbraw/zinc/26/06/63/573260663.db2.gz ZYLOBOOVWLYSSP-VIFPVBQESA-N 0 0 185.198 1.140 10 0 ADAERN C[C@@H](CO)N(C)c1cccc(N)c1 123929980 573260675 /nfs/dbraw/zinc/26/06/75/573260675.db2.gz CQCIIADXXWWXRL-QMMMGPOBSA-N 0 0 180.251 1.086 10 0 ADAERN COc1ccc(N)c(NCC(C)C)n1 116321885 573260695 /nfs/dbraw/zinc/26/06/95/573260695.db2.gz CLSVPOXYUICSRO-UHFFFAOYSA-N 0 0 195.266 1.740 10 0 ADAERN CC[C@](C)(O)CN1C[C@@H](F)[C@H](F)C1 714665251 573260699 /nfs/dbraw/zinc/26/06/99/573260699.db2.gz AECRIRSGZBHFLI-HLTSFMKQSA-N 0 0 193.237 1.139 10 0 ADAERN CN(CNc1ccccc1)N=O 238326559 573260719 /nfs/dbraw/zinc/26/07/19/573260719.db2.gz QWZNXPZFIPYBSB-UHFFFAOYSA-N 0 0 165.196 1.669 10 0 ADAERN CN1CC(=O)N=C1C[C@H]1CCCCO1 236062028 573260735 /nfs/dbraw/zinc/26/07/35/573260735.db2.gz KYGYSBBDRCDPNE-MRVPVSSYSA-N 0 0 196.250 1.237 10 0 ADAERN CC(=O)c1coc(-c2ccncc2)n1 258262765 573260737 /nfs/dbraw/zinc/26/07/37/573260737.db2.gz XKOJDAREOANXKM-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN CC(C)(C)OCCNc1ccncn1 308531701 573260754 /nfs/dbraw/zinc/26/07/54/573260754.db2.gz QEVSSXIPCCHMIK-UHFFFAOYSA-N 0 0 195.266 1.704 10 0 ADAERN CN1C=CN[C@H]1c1cccc(O)c1 238326956 573260966 /nfs/dbraw/zinc/26/09/66/573260966.db2.gz GUUNHIMJDFORMN-SNVBAGLBSA-N 0 0 176.219 1.397 10 0 ADAERN c1ccn(N2CCCCC2)c1 116296068 573260757 /nfs/dbraw/zinc/26/07/57/573260757.db2.gz KJJGRCPWALGRNU-UHFFFAOYSA-N 0 0 150.225 1.610 10 0 ADAERN Cc1cc(NC(=O)CC[C@@H](C)O)no1 86086166 573260758 /nfs/dbraw/zinc/26/07/58/573260758.db2.gz VGSCQIWKVPPLKT-ZCFIWIBFSA-N 0 0 198.222 1.083 10 0 ADAERN CC(C)n1ncnc1Cl 116315430 573260781 /nfs/dbraw/zinc/26/07/81/573260781.db2.gz WMBQWMJMMNMFHO-UHFFFAOYSA-N 0 0 145.593 1.512 10 0 ADAERN Cc1ccncc1NC(=O)CCCO 86086289 573260967 /nfs/dbraw/zinc/26/09/67/573260967.db2.gz BJAXWZWHMJTLIM-UHFFFAOYSA-N 0 0 194.234 1.101 10 0 ADAERN C[C@@H](CO)c1cccc(F)c1O 257984891 573260810 /nfs/dbraw/zinc/26/08/10/573260810.db2.gz KBGFVCNATNCBGV-LURJTMIESA-N 0 0 170.183 1.627 10 0 ADAERN C=COCCOC(=O)/C=C/C1CC1 308331533 573260813 /nfs/dbraw/zinc/26/08/13/573260813.db2.gz KVXNVOJTJJTLCV-AATRIKPKSA-N 0 0 182.219 1.656 10 0 ADAERN Cc1ccc(NC=O)cc1N(C)C 116321281 573260826 /nfs/dbraw/zinc/26/08/26/573260826.db2.gz JVDVLLPPIVVSTO-UHFFFAOYSA-N 0 0 178.235 1.629 10 0 ADAERN C[C@H](O)CCC(=O)Nc1ccncc1 86086160 573260827 /nfs/dbraw/zinc/26/08/27/573260827.db2.gz VSYRZZBYUAXFIK-QMMMGPOBSA-N 0 0 194.234 1.181 10 0 ADAERN CC(C)CC[C@H]([NH2+]CC(=O)[O-])C1CC1 308531139 573260842 /nfs/dbraw/zinc/26/08/42/573260842.db2.gz KCPLILBXPPKDTP-JTQLQIEISA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@@H](C)c1cc(F)c([O-])cc1F 238326118 573260844 /nfs/dbraw/zinc/26/08/44/573260844.db2.gz KJCSUFVOLICJTL-YFKPBYRVSA-N 0 0 187.189 1.951 10 0 ADAERN CC(=O)c1noc(C2CCOCC2)n1 257981910 573260972 /nfs/dbraw/zinc/26/09/72/573260972.db2.gz LBEYQFRRSHGTTD-UHFFFAOYSA-N 0 0 196.206 1.166 10 0 ADAERN CN1CC(=O)N=C1CC(F)(F)F 236061664 573260855 /nfs/dbraw/zinc/26/08/55/573260855.db2.gz ZYSOGUTYADLBHV-UHFFFAOYSA-N 0 0 180.129 1.231 10 0 ADAERN Cn1cncc1[C@H](O)CCC1CC1 126075770 573260880 /nfs/dbraw/zinc/26/08/80/573260880.db2.gz ZQCJAZYZOONGKS-SNVBAGLBSA-N 0 0 180.251 1.644 10 0 ADAERN CCCc1ncnc(OC(C)C)c1N 308531570 573260902 /nfs/dbraw/zinc/26/09/02/573260902.db2.gz CPIAHATUDRHYMN-UHFFFAOYSA-N 0 0 195.266 1.799 10 0 ADAERN COC(=O)/C=C1/C=CC=CN1C 105392481 573260904 /nfs/dbraw/zinc/26/09/04/573260904.db2.gz BRIRBMVQJSWOKR-FPLPWBNLSA-N 0 0 165.192 1.059 10 0 ADAERN CN1CC(=O)N=C1CCC(F)(F)F 236061691 573260906 /nfs/dbraw/zinc/26/09/06/573260906.db2.gz VCNJECVNADJBKZ-UHFFFAOYSA-N 0 0 194.156 1.621 10 0 ADAERN CSC(=N)NC(=O)N1CCCC1 142391304 573260920 /nfs/dbraw/zinc/26/09/20/573260920.db2.gz DADSLSBULXIUQJ-UHFFFAOYSA-N 0 0 187.268 1.090 10 0 ADAERN COC(=O)CC1=CCCn2cccc21 222970153 573260925 /nfs/dbraw/zinc/26/09/25/573260925.db2.gz TYZDNSNTYKWTKF-UHFFFAOYSA-N 0 0 191.230 1.838 10 0 ADAERN CCCC(=O)N[C@H]1CCCCC[C@@H]1O 142392104 573260939 /nfs/dbraw/zinc/26/09/39/573260939.db2.gz SBJXTIDWNYKWKG-UWVGGRQHSA-N 0 0 199.294 1.596 10 0 ADAERN CC(C)[C@H]([NH+](C)C)C1(C(=O)[O-])CC1 259397499 573261623 /nfs/dbraw/zinc/26/16/23/573261623.db2.gz HERCDCBIVCRLHS-QMMMGPOBSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@@H]1CC(=O)N(C2CCCC2)N1 258614171 573261523 /nfs/dbraw/zinc/26/15/23/573261523.db2.gz WCSMTMANBDBLIO-SSDOTTSWSA-N 0 0 168.240 1.054 10 0 ADAERN COC(=O)c1cc(O)c2c(c1)NCC2 259394313 573261540 /nfs/dbraw/zinc/26/15/40/573261540.db2.gz LBBPHHXGFHAGRD-UHFFFAOYSA-N 0 0 193.202 1.147 10 0 ADAERN COCC[C@@H](C)C(=O)OCC(C)C 308332490 573261542 /nfs/dbraw/zinc/26/15/42/573261542.db2.gz JNDFOXXVXNKLKN-SECBINFHSA-N 0 0 188.267 1.858 10 0 ADAERN COC(=O)[C@H]1CCCc2c1ccn2C 238325997 573261556 /nfs/dbraw/zinc/26/15/56/573261556.db2.gz RHFUWDSZYKDGJN-VIFPVBQESA-N 0 0 193.246 1.618 10 0 ADAERN CC[C@](C)(F)C(F)(F)C[NH3+] 258613793 573261558 /nfs/dbraw/zinc/26/15/58/573261558.db2.gz WBLUVYUBBUUKMD-YFKPBYRVSA-N 0 0 155.163 1.719 10 0 ADAERN CNc1cc(C(C)=O)nc(C(C)=O)c1 238325927 573261563 /nfs/dbraw/zinc/26/15/63/573261563.db2.gz QIHXQWZFOXKIMO-UHFFFAOYSA-N 0 0 192.218 1.529 10 0 ADAERN CCCn1cc(CN2CCC2)cn1 308332840 573261575 /nfs/dbraw/zinc/26/15/75/573261575.db2.gz JQJXCURBHWUAQT-UHFFFAOYSA-N 0 0 179.267 1.499 10 0 ADAERN CC(C)Cc1csc2nc(N)nn12 259058162 573261579 /nfs/dbraw/zinc/26/15/79/573261579.db2.gz DKSVFZYOAFWZJB-UHFFFAOYSA-N 0 0 196.279 1.572 10 0 ADAERN C[C@H](O)c1cnc(-c2ccco2)o1 258260535 573261581 /nfs/dbraw/zinc/26/15/81/573261581.db2.gz XGLWNIKJHVIOGX-LURJTMIESA-N 0 0 179.175 1.988 10 0 ADAERN CC[C@@](C)(O)CN1C[C@H](F)[C@H](F)C1 714665252 573261593 /nfs/dbraw/zinc/26/15/93/573261593.db2.gz AECRIRSGZBHFLI-HRDYMLBCSA-N 0 0 193.237 1.139 10 0 ADAERN Cc1noc([C@@H]2CCOC2)c1N 258614090 573261599 /nfs/dbraw/zinc/26/15/99/573261599.db2.gz WCGNEJMMJQUHAF-ZCFIWIBFSA-N 0 0 168.196 1.069 10 0 ADAERN Cc1cnccc1NC(=O)CCCO 86086341 573261600 /nfs/dbraw/zinc/26/16/00/573261600.db2.gz LULBDMYOSABVFH-UHFFFAOYSA-N 0 0 194.234 1.101 10 0 ADAERN CCCc1ncc(C(C)=O)o1 258260408 573261686 /nfs/dbraw/zinc/26/16/86/573261686.db2.gz XFBSZHMJQMGOHT-UHFFFAOYSA-N 0 0 153.181 1.830 10 0 ADAERN C[C@@H](CO)Cc1ccc(N(C)C)cc1 308531696 573261714 /nfs/dbraw/zinc/26/17/14/573261714.db2.gz CWIOOIYBEAFMAG-SNVBAGLBSA-N 0 0 193.290 1.924 10 0 ADAERN ONCc1cccc2oncc12 257982667 573261729 /nfs/dbraw/zinc/26/17/29/573261729.db2.gz JUAMZGQRSPIVHM-UHFFFAOYSA-N 0 0 164.164 1.307 10 0 ADAERN Cc1ccnc2[nH]c(CCCO)nc12 86085549 573261755 /nfs/dbraw/zinc/26/17/55/573261755.db2.gz CFBVXWBLWANUAT-UHFFFAOYSA-N 0 0 191.234 1.191 10 0 ADAERN CN1CC(=O)N=C1Cc1ccccn1 236062318 573261756 /nfs/dbraw/zinc/26/17/56/573261756.db2.gz KGEFUXHLXJKPRU-UHFFFAOYSA-N 0 0 189.218 1.112 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)COCC2 257984851 573261759 /nfs/dbraw/zinc/26/17/59/573261759.db2.gz FBVQXBQVYYSAHR-VIFPVBQESA-N 0 0 192.258 1.855 10 0 ADAERN COC(=O)C1(c2ccc[nH]2)CC1 259059592 573261776 /nfs/dbraw/zinc/26/17/76/573261776.db2.gz BCSQIWGEDRPRCS-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN O=C([O-])/C=C\C[C@H]1CCC[NH2+]C1 258262192 573261787 /nfs/dbraw/zinc/26/17/87/573261787.db2.gz RGKFAJNQZCWFQZ-PRULUSJTSA-N 0 0 169.224 1.017 10 0 ADAERN Cc1cccc(C(=O)NC#N)c1C 86085152 573261810 /nfs/dbraw/zinc/26/18/10/573261810.db2.gz MMZILGSJECYPAD-UHFFFAOYSA-N 0 0 174.203 1.514 10 0 ADAERN Cn1ccnc1C(=O)[C@H](O)C(C)(C)C 236066471 573261821 /nfs/dbraw/zinc/26/18/21/573261821.db2.gz YPLKZJRYHOPDFU-QMMMGPOBSA-N 0 0 196.250 1.010 10 0 ADAERN O=C([O-])/C=C\C[C@@H]1CCC[NH2+]C1 258262189 573261841 /nfs/dbraw/zinc/26/18/41/573261841.db2.gz RGKFAJNQZCWFQZ-LUJFTGFFSA-N 0 0 169.224 1.017 10 0 ADAERN Cc1cc(Cl)ccc1C(=O)NC#N 235750391 573261846 /nfs/dbraw/zinc/26/18/46/573261846.db2.gz KIHALGGIKMCREQ-UHFFFAOYSA-N 0 0 194.621 1.859 10 0 ADAERN CN1CC(=O)N=C1[C@@H]1CC1(C)C 236062383 573261873 /nfs/dbraw/zinc/26/18/73/573261873.db2.gz CPAOTVHTURTSLJ-LURJTMIESA-N 0 0 166.224 1.639 10 0 ADAERN O=Cc1ccnn1[C@@H]1CCSC1 221316611 573261876 /nfs/dbraw/zinc/26/18/76/573261876.db2.gz QAEZFXYSVWZKDD-MRVPVSSYSA-N 0 0 182.248 1.374 10 0 ADAERN CN1N=C(N)S[C@H]1c1ccccc1 238326383 573261878 /nfs/dbraw/zinc/26/18/78/573261878.db2.gz PJXMFOFLLYIBLW-QMMMGPOBSA-N 0 0 193.275 1.594 10 0 ADAERN CCc1c2ccc(O)cc2nn1C 257983089 573261888 /nfs/dbraw/zinc/26/18/88/573261888.db2.gz ZXEGQLVZSCPUMH-UHFFFAOYSA-N 0 0 176.219 1.841 10 0 ADAERN Fc1cccc([C@H]2CCNN2)c1 258614186 573261897 /nfs/dbraw/zinc/26/18/97/573261897.db2.gz WDFDYMJEKPGSKX-SECBINFHSA-N 0 0 166.199 1.365 10 0 ADAERN CNc1nc2sccc2c(=O)n1C 238326349 573261910 /nfs/dbraw/zinc/26/19/10/573261910.db2.gz YKGAULWFFZWLET-UHFFFAOYSA-N 0 0 195.247 1.037 10 0 ADAERN C[C@@H]1Oc2ccc(N)cc2NC1=S 142338827 573261918 /nfs/dbraw/zinc/26/19/18/573261918.db2.gz RCQIRRLDADGBFY-YFKPBYRVSA-N 0 0 194.259 1.789 10 0 ADAERN CC(=O)CSc1cccnc1 223635014 573261922 /nfs/dbraw/zinc/26/19/22/573261922.db2.gz NYEPAHWWWUICNV-UHFFFAOYSA-N 0 0 167.233 1.763 10 0 ADAERN CC[N@H+](C/C=C\C(=O)[O-])CC(C)(C)C 308531022 573261935 /nfs/dbraw/zinc/26/19/35/573261935.db2.gz QRQPYXPXAPHTBT-SREVYHEPSA-N 0 0 199.294 1.995 10 0 ADAERN Nc1ccc2nc(CCCO)oc2c1 86085401 573261937 /nfs/dbraw/zinc/26/19/37/573261937.db2.gz YJBDABNNWHXBJP-UHFFFAOYSA-N 0 0 192.218 1.335 10 0 ADAERN CO[C@@H]1CCC[C@@H]2C(=O)CC[C@@H]21 238326127 573261943 /nfs/dbraw/zinc/26/19/43/573261943.db2.gz VNTMKQVHLMVRJM-OYNCUSHFSA-N 0 0 168.236 1.781 10 0 ADAERN CNc1nc2nc[nH]c(=S)c2[nH]1 238326171 573261962 /nfs/dbraw/zinc/26/19/62/573261962.db2.gz HTWKKERFEGUIKW-UHFFFAOYSA-N 0 0 181.224 1.057 10 0 ADAERN Nc1ccc(F)cc1N1CC=CC1 116295103 573261967 /nfs/dbraw/zinc/26/19/67/573261967.db2.gz QROSZNDGVHUFNZ-UHFFFAOYSA-N 0 0 178.210 1.784 10 0 ADAERN CC/C=C\C(=O)OCC(=O)C1CC1 308331594 573261970 /nfs/dbraw/zinc/26/19/70/573261970.db2.gz IZLYBAPLUBOVMB-ARJAWSKDSA-N 0 0 182.219 1.475 10 0 ADAERN COCC(Cl)(Cl)C(C)=O 238325879 573261993 /nfs/dbraw/zinc/26/19/93/573261993.db2.gz QDWWYIIHTMPQCA-UHFFFAOYSA-N 0 0 171.023 1.396 10 0 ADAERN CN1CC(=O)N=C1[C@H]1CCCOC1 236062770 573262016 /nfs/dbraw/zinc/26/20/16/573262016.db2.gz JHGDCRNNTRUQCZ-ZETCQYMHSA-N 0 0 182.223 1.020 10 0 ADAERN CC1(C)C[C@]1(CO)C1CCOCC1 259057705 573262034 /nfs/dbraw/zinc/26/20/34/573262034.db2.gz WHOBJZVGEXZWCY-NSHDSACASA-N 0 0 184.279 1.822 10 0 ADAERN CC[N@@H+]1CC[C@](C)(CC(=O)[O-])C1 259397385 573262093 /nfs/dbraw/zinc/26/20/93/573262093.db2.gz MCBZARNKQNIPIO-SECBINFHSA-N 0 0 171.240 1.193 10 0 ADAERN CNc1ncc(OC2CCC2)cn1 238326976 573262122 /nfs/dbraw/zinc/26/21/22/573262122.db2.gz CRMXZLBKHJXQLD-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN O=C1CCSC[C@@H](C2CC2)N1 257983049 573262139 /nfs/dbraw/zinc/26/21/39/573262139.db2.gz ZVPBABXGVZTWOC-ZETCQYMHSA-N 0 0 171.265 1.018 10 0 ADAERN CC[S@](=O)(=NC)c1ccc(N)cc1 238326172 573262148 /nfs/dbraw/zinc/26/21/48/573262148.db2.gz QIMPGTOHFICRJI-CYBMUJFWSA-N 0 0 198.291 1.745 10 0 ADAERN CCSCCC[C@@H](N)C(=O)OC 129219738 573262151 /nfs/dbraw/zinc/26/21/51/573262151.db2.gz YPQDNVFJKXDUKB-SSDOTTSWSA-N 0 0 191.296 1.020 10 0 ADAERN COC(=O)[C@@]1(C)Cc2ccc(N)cc21 238325868 573262162 /nfs/dbraw/zinc/26/21/62/573262162.db2.gz WOFIYOUSYYKADW-NSHDSACASA-N 0 0 191.230 1.256 10 0 ADAERN O=C(CCCO)Nc1ccc(O)cc1 86085764 573262168 /nfs/dbraw/zinc/26/21/68/573262168.db2.gz AJUVMHBVHNTMAX-UHFFFAOYSA-N 0 0 195.218 1.103 10 0 ADAERN C[C@H]1COc2cccnc2O1 142341814 573262170 /nfs/dbraw/zinc/26/21/70/573262170.db2.gz MLPKVGPUYKKZDZ-LURJTMIESA-N 0 0 151.165 1.241 10 0 ADAERN CN1CC(=O)N=C1[C@@]1(C)CCCO1 236062735 573262175 /nfs/dbraw/zinc/26/21/75/573262175.db2.gz NNJGTGGIGLYYCK-SECBINFHSA-N 0 0 182.223 1.151 10 0 ADAERN CC(=O)CCCN1C(=O)CC[C@@H]1C 308331527 573262185 /nfs/dbraw/zinc/26/21/85/573262185.db2.gz KVSJHSLBFBZPKC-QMMMGPOBSA-N 0 0 183.251 1.367 10 0 ADAERN Cc1cccc(C(=O)NC#N)c1 86085151 573262188 /nfs/dbraw/zinc/26/21/88/573262188.db2.gz QCFTUWAJEWZSSW-UHFFFAOYSA-N 0 0 160.176 1.206 10 0 ADAERN O=CNCCCC(F)(F)F 116321608 573262192 /nfs/dbraw/zinc/26/21/92/573262192.db2.gz MOIKBLRDXDVXKV-UHFFFAOYSA-N 0 0 155.119 1.075 10 0 ADAERN CCC(=O)N1CCCC(=O)C1(C)C 259059754 573262197 /nfs/dbraw/zinc/26/21/97/573262197.db2.gz HLHWRNKIZFUHBG-UHFFFAOYSA-N 0 0 183.251 1.367 10 0 ADAERN CC[S@@](=O)c1cc(O)ccc1C 238325898 573262198 /nfs/dbraw/zinc/26/21/98/573262198.db2.gz NHPJQSOFVMXLDH-GFCCVEGCSA-N 0 0 184.260 1.828 10 0 ADAERN C[C@@H](O)CCC(=O)Nc1ccncc1 86086161 573262215 /nfs/dbraw/zinc/26/22/15/573262215.db2.gz VSYRZZBYUAXFIK-MRVPVSSYSA-N 0 0 194.234 1.181 10 0 ADAERN CO[C@@H]1CCOc2ccc(O)cc21 238326911 573262238 /nfs/dbraw/zinc/26/22/38/573262238.db2.gz BPIBHMQSLUNSLJ-SECBINFHSA-N 0 0 180.203 1.862 10 0 ADAERN CN[C@H](c1ccn(C)c1)C(F)(F)F 238326720 573262261 /nfs/dbraw/zinc/26/22/61/573262261.db2.gz JWOKCGQEQPXTDU-SSDOTTSWSA-N 0 0 192.184 1.848 10 0 ADAERN CC[C@@H](C)[C@H](CO)OCOC 143791792 573262277 /nfs/dbraw/zinc/26/22/77/573262277.db2.gz ICZLCLYFEGXDGW-SFYZADRCSA-N 0 0 162.229 1.014 10 0 ADAERN C[N@@H+](C1CC1)[C@H](C(=O)[O-])c1ccc[nH]1 259056913 573262280 /nfs/dbraw/zinc/26/22/80/573262280.db2.gz MDFPXKVKJHMYFK-VIFPVBQESA-N 0 0 194.234 1.235 10 0 ADAERN C[C@H](C(=O)[O-])[N@H+](C1CC1)[C@H](C)C1CC1 308531585 573262284 /nfs/dbraw/zinc/26/22/84/573262284.db2.gz RVMCJZGICYAHKY-HTQZYQBOSA-N 0 0 197.278 1.722 10 0 ADAERN CCCN(OC)c1cc(C)c(N)cn1 308531248 573262295 /nfs/dbraw/zinc/26/22/95/573262295.db2.gz KGWPXIRNPUTVEU-UHFFFAOYSA-N 0 0 195.266 1.750 10 0 ADAERN CC(C)(C)OC1=CS(=O)(=O)N=C1 258613997 573262317 /nfs/dbraw/zinc/26/23/17/573262317.db2.gz QYMPLCVPXJJQKG-UHFFFAOYSA-N 0 0 189.236 1.057 10 0 ADAERN CCCNC1(c2noc(C)n2)CCC1 308531604 573262347 /nfs/dbraw/zinc/26/23/47/573262347.db2.gz RVSGQDIOTDTVMT-UHFFFAOYSA-N 0 0 195.266 1.757 10 0 ADAERN O=C(S)NCC1CCOCC1 258614851 573262348 /nfs/dbraw/zinc/26/23/48/573262348.db2.gz BKUCAHQOSMITPI-UHFFFAOYSA-N 0 0 175.253 1.052 10 0 ADAERN COCN(C)c1cc[nH]c1 259058563 573262352 /nfs/dbraw/zinc/26/23/52/573262352.db2.gz KPSKJBYEWZTZOG-UHFFFAOYSA-N 0 0 140.186 1.055 10 0 ADAERN C[C@@H](F)c1nnc(N)s1 222977465 573262353 /nfs/dbraw/zinc/26/23/53/573262353.db2.gz OEGSQIOYOVYWHF-UWTATZPHSA-N 0 0 147.178 1.151 10 0 ADAERN CNc1ncc2c(OC)cccc2n1 238327996 573265700 /nfs/dbraw/zinc/26/57/00/573265700.db2.gz TUJNSNFGTHGTOI-UHFFFAOYSA-N 0 0 189.218 1.680 10 0 ADAERN Cc1coc([C@H](O)[C@@H]2CCCO2)c1 715747614 573263459 /nfs/dbraw/zinc/26/34/59/573263459.db2.gz XDIPMBXNYOKKDP-WCBMZHEXSA-N 0 0 182.219 1.800 10 0 ADAERN COCc1ccc(O)cc1C 238326872 573263212 /nfs/dbraw/zinc/26/32/12/573263212.db2.gz LQISPTPMYSTALJ-UHFFFAOYSA-N 0 0 152.193 1.847 10 0 ADAERN NNC[C@H]1Cc2ccccc2S1 86096391 573263461 /nfs/dbraw/zinc/26/34/61/573263461.db2.gz YQHAMTVXVPJHMT-MRVPVSSYSA-N 0 0 180.276 1.167 10 0 ADAERN COC[C@H](C)C(=O)OC1CC(C)C1 308331591 573263302 /nfs/dbraw/zinc/26/33/02/573263302.db2.gz IZBGPCCMCHGULG-MGURRDGZSA-N 0 0 186.251 1.611 10 0 ADAERN CCCC(=O)CN1CCO[C@H](C)C1 50184101 573263311 /nfs/dbraw/zinc/26/33/11/573263311.db2.gz RYFPNZQWKVLVHV-SECBINFHSA-N 0 0 185.267 1.076 10 0 ADAERN CCC1(C[C@H](COC)NN)CCC1 308331935 573263327 /nfs/dbraw/zinc/26/33/27/573263327.db2.gz LGYVKWKPVIYLJH-SECBINFHSA-N 0 0 186.299 1.435 10 0 ADAERN CC(=O)CCC1(c2ccc[nH]2)COC1 259400901 573263333 /nfs/dbraw/zinc/26/33/33/573263333.db2.gz XKMSMSJDRVHMIY-UHFFFAOYSA-N 0 0 193.246 1.652 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C1CC1)[C@@H](C)C1CC1 308531591 573263343 /nfs/dbraw/zinc/26/33/43/573263343.db2.gz RVMCJZGICYAHKY-YUMQZZPRSA-N 0 0 197.278 1.722 10 0 ADAERN CCCC[C@@H](C)N1CC[C@@H]([NH3+])C1=O 50889045 573263355 /nfs/dbraw/zinc/26/33/55/573263355.db2.gz JQDJBAJBAKPYFN-RKDXNWHRSA-N 0 0 184.283 1.125 10 0 ADAERN C[C@H](c1ccccc1)[C@H]1C[NH2+]CCO1 82896232 573263359 /nfs/dbraw/zinc/26/33/59/573263359.db2.gz WPCWOEDZTDHRBK-ZYHUDNBSSA-N 0 0 191.274 1.779 10 0 ADAERN Cc1ccc(CF)cc1CON 257982871 573263360 /nfs/dbraw/zinc/26/33/60/573263360.db2.gz JXQOLHCKWRCRIK-UHFFFAOYSA-N 0 0 169.199 1.855 10 0 ADAERN S=c1[nH]cc(-c2ccc[nH]2)[nH]1 259057395 573263372 /nfs/dbraw/zinc/26/33/72/573263372.db2.gz JJHBWDBRRUAOCA-UHFFFAOYSA-N 0 0 165.221 1.694 10 0 ADAERN O=C1CCSC[C@H](C2CC2)N1 257983048 573263375 /nfs/dbraw/zinc/26/33/75/573263375.db2.gz ZVPBABXGVZTWOC-SSDOTTSWSA-N 0 0 171.265 1.018 10 0 ADAERN C[NH2+][C@@H](C)c1cc(F)c([O-])c(F)c1 238326091 573263388 /nfs/dbraw/zinc/26/33/88/573263388.db2.gz PQELSUBMMWXFGD-YFKPBYRVSA-N 0 0 187.189 1.951 10 0 ADAERN Cc1ccsc1[C@@H](O)[C@H](C)O 235559281 573263408 /nfs/dbraw/zinc/26/34/08/573263408.db2.gz VXJXUYUAPXHFPK-BQBZGAKWSA-N 0 0 172.249 1.471 10 0 ADAERN Cc1ccc(N(C)CO)cc1 238326814 573263443 /nfs/dbraw/zinc/26/34/43/573263443.db2.gz SEAGQHIMUDGAIT-UHFFFAOYSA-N 0 0 151.209 1.381 10 0 ADAERN CCC1(CN[C@H]2CCOC2=O)CC1 308531032 573263445 /nfs/dbraw/zinc/26/34/45/573263445.db2.gz ZRJIQUYNENWEGU-QMMMGPOBSA-N 0 0 183.251 1.082 10 0 ADAERN CO[C@@H](C)C(=O)N[C@@H](C)CC(F)F 308332485 573263451 /nfs/dbraw/zinc/26/34/51/573263451.db2.gz JMSMJMXMKWEZJP-WDSKDSINSA-N 0 0 195.209 1.181 10 0 ADAERN COc1ccc(N)c2nn(C)c(C)c12 259397890 573263453 /nfs/dbraw/zinc/26/34/53/573263453.db2.gz LGLQXFMNLFLBAV-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN CC[C@@H](C)c1nc(N)nc(Cl)n1 116324287 573263490 /nfs/dbraw/zinc/26/34/90/573263490.db2.gz SIVFDPWEZDLBQQ-SCSAIBSYSA-N 0 0 186.646 1.621 10 0 ADAERN CNOC[C@H]1CCCCS1 258615733 573263494 /nfs/dbraw/zinc/26/34/94/573263494.db2.gz WFGTXCPSJPQJAC-SSDOTTSWSA-N 0 0 161.270 1.423 10 0 ADAERN [NH3+]Cc1ccc(Cl)c2c1OCCO2 258265454 573263499 /nfs/dbraw/zinc/26/34/99/573263499.db2.gz YTEPRFCPIKDGQD-UHFFFAOYSA-N 0 0 199.637 1.570 10 0 ADAERN COC(=O)CCCC(C)(C)O 258615956 573263500 /nfs/dbraw/zinc/26/35/00/573263500.db2.gz WIPOFMMRXDRNGU-UHFFFAOYSA-N 0 0 160.213 1.101 10 0 ADAERN CC(C)Oc1n[nH]c2ncc(N)cc12 116349303 573263501 /nfs/dbraw/zinc/26/35/01/573263501.db2.gz VXDLPQNQQVJSEG-UHFFFAOYSA-N 0 0 192.222 1.327 10 0 ADAERN CCCC[C@H](C)N1CCC(=O)C1 50888970 573263505 /nfs/dbraw/zinc/26/35/05/573263505.db2.gz WBDOXIPPFXKEPF-VIFPVBQESA-N 0 0 169.268 1.840 10 0 ADAERN O=C([O-])C1([NH2+]C2CCCCC2)CC1 116359787 573263512 /nfs/dbraw/zinc/26/35/12/573263512.db2.gz PFTGBMNIDOECTA-UHFFFAOYSA-N 0 0 183.251 1.526 10 0 ADAERN c1ccc(C23OCC(CO2)CO3)cc1 258614670 573263521 /nfs/dbraw/zinc/26/35/21/573263521.db2.gz OOQHIAOBRABUHE-UHFFFAOYSA-N 0 0 192.214 1.490 10 0 ADAERN C[NH2+][C@@H](C)c1cc(F)cc(C(=O)[O-])c1 238326220 573263523 /nfs/dbraw/zinc/26/35/23/573263523.db2.gz VMLGMOORSFWBTQ-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN CCn1c(=NN)[nH]c2ccc(F)cc21 258266542 573265736 /nfs/dbraw/zinc/26/57/36/573265736.db2.gz QUIZIPNINHQXLC-UHFFFAOYSA-N 0 0 194.213 1.481 10 0 ADAERN COCc1ccc(F)cc1O 238326336 573263566 /nfs/dbraw/zinc/26/35/66/573263566.db2.gz UAJUPGREKFCNGP-UHFFFAOYSA-N 0 0 156.156 1.678 10 0 ADAERN CCCC(=O)CN1CCOC[C@H]1C 50184141 573263569 /nfs/dbraw/zinc/26/35/69/573263569.db2.gz PFEWXWCKPYDJSK-SECBINFHSA-N 0 0 185.267 1.076 10 0 ADAERN CNc1cc(C(=O)[O-])c(C)c[nH+]1 238326270 573263581 /nfs/dbraw/zinc/26/35/81/573263581.db2.gz FZXLRYDTLSVXKY-UHFFFAOYSA-N 0 0 166.180 1.130 10 0 ADAERN CN1CC(=O)N=C1c1cccs1 236063358 573263582 /nfs/dbraw/zinc/26/35/82/573263582.db2.gz AISDGIUOMNLAQV-UHFFFAOYSA-N 0 0 180.232 1.854 10 0 ADAERN C[C@H]1CO[C@@H](Cc2cccc(F)c2)[NH2+]1 258265316 573263594 /nfs/dbraw/zinc/26/35/94/573263594.db2.gz AZXZQHYHCQQDLF-KWQFWETISA-N 0 0 195.237 1.703 10 0 ADAERN CCc1coc2cnc(CO)cc12 238326160 573263596 /nfs/dbraw/zinc/26/35/96/573263596.db2.gz LNVXIYWLQGBDKG-UHFFFAOYSA-N 0 0 177.203 1.883 10 0 ADAERN NO[C@H](CCO)c1ccc(F)cc1 257983161 573263622 /nfs/dbraw/zinc/26/36/22/573263622.db2.gz ZYLOBOOVWLYSSP-SECBINFHSA-N 0 0 185.198 1.140 10 0 ADAERN Nc1c[nH]nc1[C@H]1CCCCO1 258488396 573263626 /nfs/dbraw/zinc/26/36/26/573263626.db2.gz JUQCOFCZIAHVPY-SSDOTTSWSA-N 0 0 167.212 1.234 10 0 ADAERN C[C@@H](NCc1ccco1)c1ncon1 308532512 573265737 /nfs/dbraw/zinc/26/57/37/573265737.db2.gz RXCGATWHCUYAOC-SSDOTTSWSA-N 0 0 193.206 1.513 10 0 ADAERN CCCC(=O)CN1C[C@H](C)O[C@H](C)C1 50184095 573263647 /nfs/dbraw/zinc/26/36/47/573263647.db2.gz TUWJEUFYKBTDAH-AOOOYVTPSA-N 0 0 199.294 1.465 10 0 ADAERN Cn1cnnc1[C@@H]1CC1(C)C 236073032 573263740 /nfs/dbraw/zinc/26/37/40/573263740.db2.gz XXHZFJUXELGLKW-LURJTMIESA-N 0 0 151.213 1.329 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2cc(F)ccc2O1 258265695 573263749 /nfs/dbraw/zinc/26/37/49/573263749.db2.gz YQFXGGYXNLBDCF-XCBNKYQSSA-N 0 0 196.221 1.900 10 0 ADAERN COC(C)(C)/C=C/[C@H](C)O 238326713 573263754 /nfs/dbraw/zinc/26/37/54/573263754.db2.gz SCHZEPJDVDENMB-XPPMVYLVSA-N 0 0 144.214 1.348 10 0 ADAERN COCC[C@@](C)(Cl)CO 238324509 573263780 /nfs/dbraw/zinc/26/37/80/573263780.db2.gz HFCAHTACEIUZSI-ZCFIWIBFSA-N 0 0 152.621 1.013 10 0 ADAERN COC(=S)c1ccc(N)cc1 238326576 573263786 /nfs/dbraw/zinc/26/37/86/573263786.db2.gz COWZEBXFMAHPPG-UHFFFAOYSA-N 0 0 167.233 1.591 10 0 ADAERN CCCc1ncc([C@@H](C)[NH3+])o1 258266739 573263809 /nfs/dbraw/zinc/26/38/09/573263809.db2.gz XQDWBMFIZGEUDG-ZCFIWIBFSA-N 0 0 154.213 1.647 10 0 ADAERN OCCc1nccc(-c2cc[nH]c2)n1 259059262 573263822 /nfs/dbraw/zinc/26/38/22/573263822.db2.gz JYFQZFCJEQCGKQ-UHFFFAOYSA-N 0 0 189.218 1.007 10 0 ADAERN CN1C(=O)CCc2c1ccc(N)c2F 257982564 573263847 /nfs/dbraw/zinc/26/38/47/573263847.db2.gz XBQRUPDDSHIDKV-UHFFFAOYSA-N 0 0 194.209 1.317 10 0 ADAERN COc1c(C(C)=O)ccc(C)c1O 257982715 573263878 /nfs/dbraw/zinc/26/38/78/573263878.db2.gz JVPUORXODIAEOZ-UHFFFAOYSA-N 0 0 180.203 1.912 10 0 ADAERN COC(=O)[C@@H]1CC(C)(C)CCCN1 257983077 573263882 /nfs/dbraw/zinc/26/38/82/573263882.db2.gz ZWWQXXKSMDBYFE-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN COc1c(CON)ccc(C)c1C 257982691 573263926 /nfs/dbraw/zinc/26/39/26/573263926.db2.gz JUVVDBRBCCJCTN-UHFFFAOYSA-N 0 0 181.235 1.702 10 0 ADAERN Cc1cc(O)ccc1CCCO 257982656 573264006 /nfs/dbraw/zinc/26/40/06/573264006.db2.gz JTTYVOBSRBUEND-UHFFFAOYSA-N 0 0 166.220 1.626 10 0 ADAERN Cc1coc([C@@H](O)[C@H]2CCCO2)c1 715747613 573264040 /nfs/dbraw/zinc/26/40/40/573264040.db2.gz XDIPMBXNYOKKDP-SCZZXKLOSA-N 0 0 182.219 1.800 10 0 ADAERN Cc1csc(C2(CO)CCC2)n1 259397995 573266268 /nfs/dbraw/zinc/26/62/68/573266268.db2.gz RYQZJGFRIRRUEX-UHFFFAOYSA-N 0 0 183.276 1.866 10 0 ADAERN Cc1cc(O)cc2c1N(C)C(=O)C2 257982647 573264113 /nfs/dbraw/zinc/26/41/13/573264113.db2.gz XEXWDYYMARDXST-UHFFFAOYSA-N 0 0 177.203 1.220 10 0 ADAERN CCn1nc(CSC)cc1N 257982555 573264119 /nfs/dbraw/zinc/26/41/19/573264119.db2.gz XBAOJSDIASBDNQ-UHFFFAOYSA-N 0 0 171.269 1.348 10 0 ADAERN COc1cc(F)c(O)cc1[C@@H](C)C[NH3+] 258265504 573264167 /nfs/dbraw/zinc/26/41/67/573264167.db2.gz YTYUWAMPOIAKAU-LURJTMIESA-N 0 0 199.225 1.602 10 0 ADAERN Oc1ccccc1C1=CCOC1 258615676 573264178 /nfs/dbraw/zinc/26/41/78/573264178.db2.gz WEOTXOFUKAFRQQ-UHFFFAOYSA-N 0 0 162.188 1.806 10 0 ADAERN CN1CC(=O)N=C1c1cccc(O)c1 236063303 573264185 /nfs/dbraw/zinc/26/41/85/573264185.db2.gz CQOYIMHMOVJGQF-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN CC[C@H](C)[C@]1(CC)NC(=O)NC1=O 142377003 573264222 /nfs/dbraw/zinc/26/42/22/573264222.db2.gz PXNYMZJJYFUBEP-RCOVLWMOSA-N 0 0 184.239 1.021 10 0 ADAERN CCCC(=O)CN1C[C@@H](C)O[C@H](C)C1 50184096 573264223 /nfs/dbraw/zinc/26/42/23/573264223.db2.gz TUWJEUFYKBTDAH-NXEZZACHSA-N 0 0 199.294 1.465 10 0 ADAERN Nc1c[nH]nc1[C@@H]1CCCCO1 258488397 573264244 /nfs/dbraw/zinc/26/42/44/573264244.db2.gz JUQCOFCZIAHVPY-ZETCQYMHSA-N 0 0 167.212 1.234 10 0 ADAERN COC(=O)[C@@H]1C=CC[C@@H]1C 238327892 573264261 /nfs/dbraw/zinc/26/42/61/573264261.db2.gz ZLWZVFYYSHDXFQ-NKWVEPMBSA-N 0 0 140.182 1.372 10 0 ADAERN CCC(=O)c1cncnc1CC 142354713 573264263 /nfs/dbraw/zinc/26/42/63/573264263.db2.gz LYFSFXPHZAEGNH-UHFFFAOYSA-N 0 0 164.208 1.632 10 0 ADAERN CC1(c2ncc[nH]2)CC1 116344638 573264284 /nfs/dbraw/zinc/26/42/84/573264284.db2.gz GUXIRHGZIZSWFC-UHFFFAOYSA-N 0 0 122.171 1.461 10 0 ADAERN CC[C@H](C)CC(=O)Cc1cnn(C)n1 308530921 573264290 /nfs/dbraw/zinc/26/42/90/573264290.db2.gz QNOBJGJFOHRETM-QMMMGPOBSA-N 0 0 195.266 1.363 10 0 ADAERN CCC1(CN[C@@H]2CCOC2=O)CC1 308531031 573264293 /nfs/dbraw/zinc/26/42/93/573264293.db2.gz ZRJIQUYNENWEGU-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN COC(=O)[C@@H]1C(CO)=CCCC1(C)C 238327514 573264294 /nfs/dbraw/zinc/26/42/94/573264294.db2.gz FNDGZJSPKBSBCS-VIFPVBQESA-N 0 0 198.262 1.514 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2cc(F)ccc2O1 258265685 573264308 /nfs/dbraw/zinc/26/43/08/573264308.db2.gz YQFXGGYXNLBDCF-GMSGAONNSA-N 0 0 196.221 1.900 10 0 ADAERN C[NH2+][C@H](C)[P@](=O)([O-])c1ccccc1 238327513 573264370 /nfs/dbraw/zinc/26/43/70/573264370.db2.gz BMCRMUNFJVPSRA-QMMMGPOBSA-N 0 0 199.190 1.148 10 0 ADAERN CONCc1ccccc1C[C@@H](C)O 259397902 573265745 /nfs/dbraw/zinc/26/57/45/573265745.db2.gz LGTQHINNGNDZJI-SECBINFHSA-N 0 0 195.262 1.261 10 0 ADAERN Cc1ccc(O)c(CCO)c1C 257982875 573264382 /nfs/dbraw/zinc/26/43/82/573264382.db2.gz JXRWXORZVUSUTM-UHFFFAOYSA-N 0 0 166.220 1.544 10 0 ADAERN CCc1[nH]nc(N)c1C1CCOCC1 238327218 573264409 /nfs/dbraw/zinc/26/44/09/573264409.db2.gz YNBHOCANKATNCU-UHFFFAOYSA-N 0 0 195.266 1.448 10 0 ADAERN NOCc1coc2ccc(O)cc12 258268238 573264415 /nfs/dbraw/zinc/26/44/15/573264415.db2.gz SHRKAMNYNZJRKV-UHFFFAOYSA-N 0 0 179.175 1.529 10 0 ADAERN CN1CC(=O)N=C1[C@]1(C)CCCCO1 236062938 573264428 /nfs/dbraw/zinc/26/44/28/573264428.db2.gz XYAKXOBKILITOH-JTQLQIEISA-N 0 0 196.250 1.541 10 0 ADAERN CC(C)Oc1cc2ncc(N)cn2n1 116340698 573264437 /nfs/dbraw/zinc/26/44/37/573264437.db2.gz KMOOTRHXIJHRQD-UHFFFAOYSA-N 0 0 192.222 1.099 10 0 ADAERN C[C@@H]1CCCc2oc(C(=O)CO)cc21 82894026 573264455 /nfs/dbraw/zinc/26/44/55/573264455.db2.gz NMRUASIGABFWJW-SSDOTTSWSA-N 0 0 194.230 1.894 10 0 ADAERN CN1CC(=O)N=C1[C@]1(C)CCCO1 236062945 573264516 /nfs/dbraw/zinc/26/45/16/573264516.db2.gz NNJGTGGIGLYYCK-VIFPVBQESA-N 0 0 182.223 1.151 10 0 ADAERN CCC/C=C/C[N@@H+]1CCC[C@H]1C(=O)[O-] 308341036 573264525 /nfs/dbraw/zinc/26/45/25/573264525.db2.gz BPZJIHIICCUVMF-YEZKRMTDSA-N 0 0 197.278 1.892 10 0 ADAERN CSCC(=O)OCc1ccccn1 393579457 573264531 /nfs/dbraw/zinc/26/45/31/573264531.db2.gz FEEAUKFCCLZRID-UHFFFAOYSA-N 0 0 197.259 1.488 10 0 ADAERN CC[C@H]1NCN([C@H](CC)C(C)C)C1=O 143795676 573264543 /nfs/dbraw/zinc/26/45/43/573264543.db2.gz RZAPOYCKBXJGNA-NXEZZACHSA-N 0 0 198.310 1.589 10 0 ADAERN CO[C@@H]1CC[C@@H](OC)CC(=O)C1 238327737 573264563 /nfs/dbraw/zinc/26/45/63/573264563.db2.gz XOEVCPAPGZJKGN-RKDXNWHRSA-N 0 0 172.224 1.160 10 0 ADAERN CN1CC(=O)C[C@H]1c1cccnc1 238327938 573264578 /nfs/dbraw/zinc/26/45/78/573264578.db2.gz DOHZNHZHDHMXQB-JTQLQIEISA-N 0 0 176.219 1.027 10 0 ADAERN CC(C)C[C@H](C)/C=C1\CC(=O)NC1=O 308340609 573264624 /nfs/dbraw/zinc/26/46/24/573264624.db2.gz DTIVMTCOQNNGOP-MOIHINDBSA-N 0 0 195.262 1.642 10 0 ADAERN CSc1ccccc1CNN 86096399 573264657 /nfs/dbraw/zinc/26/46/57/573264657.db2.gz RNLGFWSWCCMJNU-UHFFFAOYSA-N 0 0 168.265 1.372 10 0 ADAERN CN1C=C[C@H](N)N1c1ccccc1 238327181 573264663 /nfs/dbraw/zinc/26/46/63/573264663.db2.gz GIYKZPMHNAKHOM-SNVBAGLBSA-N 0 0 175.235 1.152 10 0 ADAERN O=C1CCC[C@H]2[C@@H](O)CCC[C@@H]12 105519228 573264671 /nfs/dbraw/zinc/26/46/71/573264671.db2.gz MZGZZGABVHCNSV-HLTSFMKQSA-N 0 0 168.236 1.517 10 0 ADAERN Cc1cc2nn(C)c(C)c2cc1N 259397729 573264672 /nfs/dbraw/zinc/26/46/72/573264672.db2.gz LDWVUPQHOHKPHP-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN CCCCc1nc(N)nc(Cl)n1 116324298 573264680 /nfs/dbraw/zinc/26/46/80/573264680.db2.gz DRHXXUXMOSZGRL-UHFFFAOYSA-N 0 0 186.646 1.450 10 0 ADAERN C[C@@]12CC=CC[C@@H]1CC(=O)CC2=O 105450950 573264689 /nfs/dbraw/zinc/26/46/89/573264689.db2.gz VLEIDMVTRLJGAG-LDYMZIIASA-N 0 0 178.231 1.891 10 0 ADAERN COC(=O)c1cccc(N(C)C)c1N 116324651 573264752 /nfs/dbraw/zinc/26/47/52/573264752.db2.gz BIABOMOFZKZHEH-UHFFFAOYSA-N 0 0 194.234 1.121 10 0 ADAERN Nc1nccc(Cc2ccccc2)n1 116343252 573264795 /nfs/dbraw/zinc/26/47/95/573264795.db2.gz MXWFAFBPBMLSRT-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN CC[C@@]1(C(C)(C)C)NC(=O)NC1=O 142370395 573264826 /nfs/dbraw/zinc/26/48/26/573264826.db2.gz MLFAOJBQEJIQHC-SECBINFHSA-N 0 0 184.239 1.021 10 0 ADAERN C/C=C\COc1cc(CO)cc(C)n1 308335877 573264851 /nfs/dbraw/zinc/26/48/51/573264851.db2.gz BZFRQKDOGDARTE-ARJAWSKDSA-N 0 0 193.246 1.837 10 0 ADAERN CC[C@@H]1NCN([C@@H](CC)C(C)C)C1=O 143795520 573264875 /nfs/dbraw/zinc/26/48/75/573264875.db2.gz RZAPOYCKBXJGNA-UWVGGRQHSA-N 0 0 198.310 1.589 10 0 ADAERN C[C@]1(F)CCc2onc(C=O)c21 257986782 573264887 /nfs/dbraw/zinc/26/48/87/573264887.db2.gz BMMFRLBVLUEJQI-QMMMGPOBSA-N 0 0 169.155 1.618 10 0 ADAERN CC(=O)[C@@H](CCO)CCC[C@H](C)O 308340819 573264888 /nfs/dbraw/zinc/26/48/88/573264888.db2.gz QVCHUBAZOBAVKP-WCBMZHEXSA-N 0 0 188.267 1.125 10 0 ADAERN C[C@H]1COC(=O)c2c(O)cccc21 142396469 573264918 /nfs/dbraw/zinc/26/49/18/573264918.db2.gz CGBRCBHMPQOCAT-LURJTMIESA-N 0 0 178.187 1.666 10 0 ADAERN COC[C@@H](CC(C)(C)C)C(=O)OC 257985753 573264924 /nfs/dbraw/zinc/26/49/24/573264924.db2.gz CVETXGCPJDPEJG-MRVPVSSYSA-N 0 0 188.267 1.858 10 0 ADAERN CC[C@H](CNc1cc[nH]c1)C(=O)OC 259063834 573264961 /nfs/dbraw/zinc/26/49/61/573264961.db2.gz TUTBLFAIPUYCKU-MRVPVSSYSA-N 0 0 196.250 1.626 10 0 ADAERN O[C@@H]1Cc2c(F)cccc21 257986712 573264976 /nfs/dbraw/zinc/26/49/76/573264976.db2.gz BLONGMYLNCPUCP-MRVPVSSYSA-N 0 0 138.141 1.415 10 0 ADAERN COC(=O)C1=CCCCCC1=O 238327801 573264984 /nfs/dbraw/zinc/26/49/84/573264984.db2.gz YUUUDSSUNQBFNP-SSDOTTSWSA-N 0 0 168.192 1.085 10 0 ADAERN O=C1N=NC2(CCCCC2)N1 142458719 573264991 /nfs/dbraw/zinc/26/49/91/573264991.db2.gz BFGYYUYIFHFXTA-UHFFFAOYSA-N 0 0 153.185 1.822 10 0 ADAERN CCCC(=O)CN(CCOC)C1CC1 50184210 573265046 /nfs/dbraw/zinc/26/50/46/573265046.db2.gz SHUYKRNPACBHDM-UHFFFAOYSA-N 0 0 199.294 1.466 10 0 ADAERN C[N@@H+]1C=C[C@H]2[C@@H]1[C@H]1CCCC(=O)[C@H]12 238327275 573265051 /nfs/dbraw/zinc/26/50/51/573265051.db2.gz YALNEHNLBNNYIU-URPMGSGRSA-N 0 0 177.247 1.429 10 0 ADAERN Cc1cc2ccc(CON)cc2n1C 258265790 573265060 /nfs/dbraw/zinc/26/50/60/573265060.db2.gz YQZYBJJWKHGHNZ-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN CNC(=O)[C@H]1CCC=C(C)C1 238327175 573265070 /nfs/dbraw/zinc/26/50/70/573265070.db2.gz IUSCFOSNSDAKSW-QMMMGPOBSA-N 0 0 153.225 1.479 10 0 ADAERN CC1(c2[nH]nc3ncc(N)cc23)CC1 116349307 573265086 /nfs/dbraw/zinc/26/50/86/573265086.db2.gz WOJAYMXZWXCLLR-UHFFFAOYSA-N 0 0 188.234 1.592 10 0 ADAERN CC(C)NC(=O)[C@H](C)[C@@H]1CCCO1 642886408 573265108 /nfs/dbraw/zinc/26/51/08/573265108.db2.gz OPYZYFAYLGIJAR-BDAKNGLRSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1cccc(N)c1OC[C@H](C)O 116324411 573265139 /nfs/dbraw/zinc/26/51/39/573265139.db2.gz BRLQEKUGOPETBV-QMMMGPOBSA-N 0 0 181.235 1.337 10 0 ADAERN Cc1ccc2c(c1)O[C@@H]([C@@H](C)O)C2 257986026 573265166 /nfs/dbraw/zinc/26/51/66/573265166.db2.gz HNEVBESYZRMNIW-PSASIEDQSA-N 0 0 178.231 1.679 10 0 ADAERN C/C(=C\[C@H](C)C[C@@H](C)O)CCC(N)=O 308341481 573265177 /nfs/dbraw/zinc/26/51/77/573265177.db2.gz BUWDQZJPHNPBKU-JSJQHLISSA-N 0 0 199.294 1.605 10 0 ADAERN NNC[C@@H]1Cc2ccccc2S1 86096396 573265203 /nfs/dbraw/zinc/26/52/03/573265203.db2.gz YQHAMTVXVPJHMT-QMMMGPOBSA-N 0 0 180.276 1.167 10 0 ADAERN OC[C@H]1C[C@H]2C=CC[C@H](C2)C1 105480222 573265205 /nfs/dbraw/zinc/26/52/05/573265205.db2.gz CKHDILYRGJQNMT-AEJSXWLSSA-N 0 0 152.237 1.971 10 0 ADAERN CSc1n[nH]c2ncc(N)cc12 116349400 573265206 /nfs/dbraw/zinc/26/52/06/573265206.db2.gz OHLZAOQFFIHPFC-UHFFFAOYSA-N 0 0 180.236 1.262 10 0 ADAERN CN1O[C@H](O)C[C@@H]1c1ccccc1 238327816 573265218 /nfs/dbraw/zinc/26/52/18/573265218.db2.gz PNFJVXINRZNLBW-ZJUUUORDSA-N 0 0 179.219 1.313 10 0 ADAERN COC(=O)c1c(F)ccc2cnoc12 238327059 573265255 /nfs/dbraw/zinc/26/52/55/573265255.db2.gz MWGIYBJRENBJJM-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN COC(=O)C1(Cc2cc[nH]c2)CCC1 259060588 573265256 /nfs/dbraw/zinc/26/52/56/573265256.db2.gz FYQRIGDCBOJLKU-UHFFFAOYSA-N 0 0 193.246 1.901 10 0 ADAERN COC(=O)[C@@]1(c2ccncc2)C[C@@H]1C 259060468 573265263 /nfs/dbraw/zinc/26/52/63/573265263.db2.gz WQOYRKLEBJNVPI-KWQFWETISA-N 0 0 191.230 1.532 10 0 ADAERN CCCC(=O)CN1CCOC(C)(C)C1 50184158 573265265 /nfs/dbraw/zinc/26/52/65/573265265.db2.gz ONLVIAYQXKRZHN-UHFFFAOYSA-N 0 0 199.294 1.466 10 0 ADAERN O=C1NCCC[C@@H]1c1ccc(O)cc1 257985093 573266628 /nfs/dbraw/zinc/26/66/28/573266628.db2.gz XJLXTOIPUHXRDI-SNVBAGLBSA-N 0 0 191.230 1.386 10 0 ADAERN COc1cccc(O)c1C(C)(C)O 116343285 573265284 /nfs/dbraw/zinc/26/52/84/573265284.db2.gz KSCBHWCXIXKTRV-UHFFFAOYSA-N 0 0 182.219 1.628 10 0 ADAERN CC(C)n1nc(N)cc1CN(C)C 257985077 573265290 /nfs/dbraw/zinc/26/52/90/573265290.db2.gz XJGGKBHZNOOOAU-UHFFFAOYSA-N 0 0 182.271 1.108 10 0 ADAERN C[C@H]1CO[C@H](Cc2cccc(F)c2)[NH2+]1 258265311 573265301 /nfs/dbraw/zinc/26/53/01/573265301.db2.gz AZXZQHYHCQQDLF-GZMMTYOYSA-N 0 0 195.237 1.703 10 0 ADAERN CCCC(=O)CN1C[C@H](C)O[C@@H](C)C1 50184097 573266630 /nfs/dbraw/zinc/26/66/30/573266630.db2.gz TUWJEUFYKBTDAH-UWVGGRQHSA-N 0 0 199.294 1.465 10 0 ADAERN CCC[C@]1(C(C)(C)C)NC(=O)NC1=O 142373973 573265325 /nfs/dbraw/zinc/26/53/25/573265325.db2.gz UESJDASPHBPDFO-JTQLQIEISA-N 0 0 198.266 1.411 10 0 ADAERN Cc1c2c(c(N)c3c1OCC3)OCC2 259063922 573265330 /nfs/dbraw/zinc/26/53/30/573265330.db2.gz BOSGBXWVTIJGPX-UHFFFAOYSA-N 0 0 191.230 1.447 10 0 ADAERN CNc1ncc2cc(OC)ccc2n1 238328032 573265335 /nfs/dbraw/zinc/26/53/35/573265335.db2.gz OKLCUAJEYYCSLQ-UHFFFAOYSA-N 0 0 189.218 1.680 10 0 ADAERN CC(C)[C@@]1(C)CCNC(=O)N1 257985078 573265356 /nfs/dbraw/zinc/26/53/56/573265356.db2.gz BIFBESODDKCHBF-MRVPVSSYSA-N 0 0 156.229 1.104 10 0 ADAERN C[N@H+](CC1CCC1)C1(C(=O)[O-])CCC1 308531965 573265366 /nfs/dbraw/zinc/26/53/66/573265366.db2.gz QUDFGOLFFSVWBH-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CCc1n[nH]cc1[C@H](C)[NH2+]C 258488388 573265378 /nfs/dbraw/zinc/26/53/78/573265378.db2.gz JUOVHMGREXBSHN-LURJTMIESA-N 0 0 153.229 1.253 10 0 ADAERN Nc1cc(CO)cc2[nH]ccc12 258615986 573265382 /nfs/dbraw/zinc/26/53/82/573265382.db2.gz WIZOEIYMSFMZCP-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN CC(=O)[C@H](CCO)CCC[C@@H](C)O 308340818 573265387 /nfs/dbraw/zinc/26/53/87/573265387.db2.gz QVCHUBAZOBAVKP-SCZZXKLOSA-N 0 0 188.267 1.125 10 0 ADAERN CCCc1nc2ccc(C)cn2n1 257985362 573265413 /nfs/dbraw/zinc/26/54/13/573265413.db2.gz PAEQMSFLCRHBBN-UHFFFAOYSA-N 0 0 175.235 1.990 10 0 ADAERN Cc1cnccc1CC(C)(C)O 259063909 573265420 /nfs/dbraw/zinc/26/54/20/573265420.db2.gz BOIDABWFWHTWRR-UHFFFAOYSA-N 0 0 165.236 1.703 10 0 ADAERN Cc1cccc2c1C[C@@H]([C@@H](C)O)N2C 257986913 573265424 /nfs/dbraw/zinc/26/54/24/573265424.db2.gz BCDGHCKKPXDXBY-SKDRFNHKSA-N 0 0 191.274 1.737 10 0 ADAERN COC(=O)c1onc(OC)c1C1CC1 259397553 573265449 /nfs/dbraw/zinc/26/54/49/573265449.db2.gz JMCXBSZJQAXBHE-UHFFFAOYSA-N 0 0 197.190 1.347 10 0 ADAERN CN1C=C[C@@H](N)N1c1ccccc1 238327073 573265458 /nfs/dbraw/zinc/26/54/58/573265458.db2.gz GIYKZPMHNAKHOM-JTQLQIEISA-N 0 0 175.235 1.152 10 0 ADAERN CO[C@@H]1CC[C@@H](O)[C@@H](C)C1 238327563 573265468 /nfs/dbraw/zinc/26/54/68/573265468.db2.gz NICRGUDKRKGQHQ-XLPZGREQSA-N 0 0 144.214 1.182 10 0 ADAERN COC(=O)[C@@]1(c2cc[nH]c2)C[C@H]1C 259062921 573265470 /nfs/dbraw/zinc/26/54/70/573265470.db2.gz WWHMTYOEXDAAHB-XCBNKYQSSA-N 0 0 179.219 1.465 10 0 ADAERN C[C@H]1CNC(=O)c2ccccc2O1 257986408 573265473 /nfs/dbraw/zinc/26/54/73/573265473.db2.gz KCFWYCPIIPKOPR-ZETCQYMHSA-N 0 0 177.203 1.197 10 0 ADAERN CCCC(=O)CN1CCOC[C@@H]1C 50184140 573265484 /nfs/dbraw/zinc/26/54/84/573265484.db2.gz PFEWXWCKPYDJSK-VIFPVBQESA-N 0 0 185.267 1.076 10 0 ADAERN NNCc1ccc2c(c1)CCCN2 259062698 573265497 /nfs/dbraw/zinc/26/54/97/573265497.db2.gz BASASNPTTXVYNX-UHFFFAOYSA-N 0 0 177.251 1.008 10 0 ADAERN C[C@@H](c1ccccc1)[C@H]1C[NH2+]CCO1 82896231 573265499 /nfs/dbraw/zinc/26/54/99/573265499.db2.gz WPCWOEDZTDHRBK-CMPLNLGQSA-N 0 0 191.274 1.779 10 0 ADAERN CCCC(=O)CN(C)CC(F)(F)F 50184169 573265500 /nfs/dbraw/zinc/26/55/00/573265500.db2.gz WGQIADOESNQIBW-UHFFFAOYSA-N 0 0 197.200 1.850 10 0 ADAERN CNC(=O)[C@H]1CCCC=C1C 238327202 573265525 /nfs/dbraw/zinc/26/55/25/573265525.db2.gz ZMDCMNUDVRVWGS-QMMMGPOBSA-N 0 0 153.225 1.479 10 0 ADAERN CC(C)C(=O)N1CCC[C@@H](O)C1(C)C 259062746 573265534 /nfs/dbraw/zinc/26/55/34/573265534.db2.gz HPPCRWYNIXQOAW-SECBINFHSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)OCCF 142377095 573265540 /nfs/dbraw/zinc/26/55/40/573265540.db2.gz PYFLLUNGJQPNTK-UHFFFAOYSA-N 0 0 106.140 1.381 10 0 ADAERN CCCCN1N=C(C)[C@H](OC)C1=O 308341296 573265561 /nfs/dbraw/zinc/26/55/61/573265561.db2.gz QZYILTDGWZCGLW-QMMMGPOBSA-N 0 0 184.239 1.020 10 0 ADAERN CC(C)[C@@H](CO)CC1COC1 258615179 573265575 /nfs/dbraw/zinc/26/55/75/573265575.db2.gz PNIAOJFHYLFKCL-SECBINFHSA-N 0 0 158.241 1.287 10 0 ADAERN Cc1cc(Cn2nccc2N)oc1C 116334021 573265576 /nfs/dbraw/zinc/26/55/76/573265576.db2.gz CSRHVEXUCHGEJE-UHFFFAOYSA-N 0 0 191.234 1.723 10 0 ADAERN C[C@H](O)C[C@H]1Cc2cc(F)ccc2O1 258265699 573265582 /nfs/dbraw/zinc/26/55/82/573265582.db2.gz YQFXGGYXNLBDCF-XVKPBYJWSA-N 0 0 196.221 1.900 10 0 ADAERN CN1C(=O)CCc2cc(O)cc(O)c21 257985103 573266957 /nfs/dbraw/zinc/26/69/57/573266957.db2.gz XJUMNBRNVCBYHQ-UHFFFAOYSA-N 0 0 193.202 1.007 10 0 ADAERN C[C@]12CC=CC[C@H]1CC(=O)CC2=O 105450960 573266958 /nfs/dbraw/zinc/26/69/58/573266958.db2.gz VLEIDMVTRLJGAG-KWQFWETISA-N 0 0 178.231 1.891 10 0 ADAERN COc1ccc2c(c1)OCC(=O)N2C 116343725 573265654 /nfs/dbraw/zinc/26/56/54/573265654.db2.gz MRMXXBUMVRNBPP-UHFFFAOYSA-N 0 0 193.202 1.050 10 0 ADAERN CC(C)[C@H](CO)CC1COC1 258615181 573265672 /nfs/dbraw/zinc/26/56/72/573265672.db2.gz PNIAOJFHYLFKCL-VIFPVBQESA-N 0 0 158.241 1.287 10 0 ADAERN CNOCCc1ccc(F)cc1 258488411 573265674 /nfs/dbraw/zinc/26/56/74/573265674.db2.gz JVGZOUPEOXNNQW-UHFFFAOYSA-N 0 0 169.199 1.519 10 0 ADAERN CCCC(=O)CN1CCO[C@@H](CC)C1 50184145 573265676 /nfs/dbraw/zinc/26/56/76/573265676.db2.gz WCDAEWDKKXLBEW-NSHDSACASA-N 0 0 199.294 1.466 10 0 ADAERN O=C(C1CCCCC1)C1(CO)CC1 259061171 573265687 /nfs/dbraw/zinc/26/56/87/573265687.db2.gz CRIXSGPHKWTBDR-UHFFFAOYSA-N 0 0 182.263 1.908 10 0 ADAERN CN1CC(=O)N=C1c1cccc(F)c1 236063277 573265689 /nfs/dbraw/zinc/26/56/89/573265689.db2.gz REVRMPSGNQYNTE-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CN1CC(=O)N=C1c1cncs1 236063440 573265695 /nfs/dbraw/zinc/26/56/95/573265695.db2.gz RRLQOZLMOOXDGO-UHFFFAOYSA-N 0 0 181.220 1.249 10 0 ADAERN CCC(CC)C[C@@]1(C(=O)[O-])CC[NH2+]C1 129263848 573265696 /nfs/dbraw/zinc/26/56/96/573265696.db2.gz VLWDQCZGCNHWCO-NSHDSACASA-N 0 0 199.294 1.877 10 0 ADAERN c1cc2c(-c3cc[nH]c3)c[nH+][n-]c-2n1 116374835 573265724 /nfs/dbraw/zinc/26/57/24/573265724.db2.gz RCVBXHZWLUDHAV-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN C/C=C\C(=O)N/C=C/C 211931890 573266962 /nfs/dbraw/zinc/26/69/62/573266962.db2.gz YOCQIEIUEGPNRO-CIIODKQPSA-N 0 0 125.171 1.212 10 0 ADAERN C[C@]12CCC[C@@H](O)[C@@H]1C[C@H](CO)CC2 105478527 573265782 /nfs/dbraw/zinc/26/57/82/573265782.db2.gz BEKIKKBAEGCYLM-WRWGMCAJSA-N 0 0 198.306 1.946 10 0 ADAERN CC[C@H](C)[C@@]1(C(C)C)NC(=O)NC1=O 142373175 573265784 /nfs/dbraw/zinc/26/57/84/573265784.db2.gz SJSIUKAKLGQVHF-OIBJUYFYSA-N 0 0 198.266 1.267 10 0 ADAERN Cn1ccnc1C[C@@H](O)[C@H]1CC1(C)C 236068664 573265814 /nfs/dbraw/zinc/26/58/14/573265814.db2.gz FPLXZRRANQAJPY-RKDXNWHRSA-N 0 0 194.278 1.370 10 0 ADAERN O=C1NCCC[C@H]1c1ccc(O)cc1 257985092 573265823 /nfs/dbraw/zinc/26/58/23/573265823.db2.gz XJLXTOIPUHXRDI-JTQLQIEISA-N 0 0 191.230 1.386 10 0 ADAERN C1CC2(CCS1)CNOC2 257986538 573265835 /nfs/dbraw/zinc/26/58/35/573265835.db2.gz BJHZHWRSMZMYJF-UHFFFAOYSA-N 0 0 159.254 1.035 10 0 ADAERN C[C@@H](O)CCC(=O)OCC[C@@H](C)F 308335736 573265840 /nfs/dbraw/zinc/26/58/40/573265840.db2.gz NYOPTFDFTWBANL-HTQZYQBOSA-N 0 0 192.230 1.439 10 0 ADAERN CN1O[C@@H](O)C[C@@H]1c1ccccc1 238327699 573265869 /nfs/dbraw/zinc/26/58/69/573265869.db2.gz PNFJVXINRZNLBW-NXEZZACHSA-N 0 0 179.219 1.313 10 0 ADAERN CC[C@@]12C=CC=CC1=NC[C@H]2CCO 142374235 573265899 /nfs/dbraw/zinc/26/58/99/573265899.db2.gz JKXWFZUEEWQFNX-PWSUYJOCSA-N 0 0 191.274 1.962 10 0 ADAERN Cc1cccc(N)c1OC[C@@H](C)O 116324407 573265901 /nfs/dbraw/zinc/26/59/01/573265901.db2.gz BRLQEKUGOPETBV-MRVPVSSYSA-N 0 0 181.235 1.337 10 0 ADAERN C[C@@H]1CO[C@H](Cc2cccc(F)c2)[NH2+]1 258265318 573265918 /nfs/dbraw/zinc/26/59/18/573265918.db2.gz AZXZQHYHCQQDLF-LDYMZIIASA-N 0 0 195.237 1.703 10 0 ADAERN COc1cc(C)c(F)cc1CCON 258265643 573265934 /nfs/dbraw/zinc/26/59/34/573265934.db2.gz YVWUFBHFBKMHTE-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN COC(C)(C)C(C)(C)CO 238327211 573265937 /nfs/dbraw/zinc/26/59/37/573265937.db2.gz NFVHXYKQIBACEQ-UHFFFAOYSA-N 0 0 146.230 1.430 10 0 ADAERN COC(=O)c1c(F)ccc2oncc12 238327216 573265946 /nfs/dbraw/zinc/26/59/46/573265946.db2.gz XVBUAGCGUFPEDX-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN CCN(C)c1nc(OC)ccc1N 116324893 573265994 /nfs/dbraw/zinc/26/59/94/573265994.db2.gz CCTIPPKBQIAVEK-UHFFFAOYSA-N 0 0 181.239 1.129 10 0 ADAERN C[NH2+][C@@H](C)c1cc([O-])c(F)c(F)c1 238327912 573266002 /nfs/dbraw/zinc/26/60/02/573266002.db2.gz UZYIIIBQXMINLI-YFKPBYRVSA-N 0 0 187.189 1.951 10 0 ADAERN CO[C@@H]1CC[C@@H](O)C12CCCC2 238327499 573266020 /nfs/dbraw/zinc/26/60/20/573266020.db2.gz SPQFOMNDJZDPBN-RKDXNWHRSA-N 0 0 170.252 1.717 10 0 ADAERN CCc1n[nH]cc1[C@@H](C)[NH2+]C 258488391 573266025 /nfs/dbraw/zinc/26/60/25/573266025.db2.gz JUOVHMGREXBSHN-ZCFIWIBFSA-N 0 0 153.229 1.253 10 0 ADAERN CC[C@]12C=CC=CC1=NC[C@H]2CCO 142374443 573266038 /nfs/dbraw/zinc/26/60/38/573266038.db2.gz JKXWFZUEEWQFNX-ZYHUDNBSSA-N 0 0 191.274 1.962 10 0 ADAERN Cc1ccc2onc(CC(N)=O)c2c1 142410463 573266071 /nfs/dbraw/zinc/26/60/71/573266071.db2.gz ASDLPRMCDGOGGO-UHFFFAOYSA-N 0 0 190.202 1.164 10 0 ADAERN Nc1c(F)cccc1CCCO 257984964 573266088 /nfs/dbraw/zinc/26/60/88/573266088.db2.gz BHHNFGOLTAUUQN-UHFFFAOYSA-N 0 0 169.199 1.333 10 0 ADAERN COC(=O)[C@]1(c2cc[nH]c2)C[C@@H]1C 259062919 573266093 /nfs/dbraw/zinc/26/60/93/573266093.db2.gz WWHMTYOEXDAAHB-OIBJUYFYSA-N 0 0 179.219 1.465 10 0 ADAERN Cc1cc(CF)nc(Cl)n1 258488382 573266101 /nfs/dbraw/zinc/26/61/01/573266101.db2.gz JULLTIOTLBILIO-UHFFFAOYSA-N 0 0 160.579 1.908 10 0 ADAERN CO[C@@H]1CC[C@@H](CO)[C@@H](C)C1 238327204 573266102 /nfs/dbraw/zinc/26/61/02/573266102.db2.gz BKQITJXXNBWKAC-XHNCKOQMSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)C[C@@H](C)/C=C1\CC(=O)NC1=O 308340608 573266132 /nfs/dbraw/zinc/26/61/32/573266132.db2.gz DTIVMTCOQNNGOP-CBVZUMJXSA-N 0 0 195.262 1.642 10 0 ADAERN CNc1ncc2c(=S)[nH]cnc2n1 238327889 573266152 /nfs/dbraw/zinc/26/61/52/573266152.db2.gz CVUFZQVRANPIHJ-UHFFFAOYSA-N 0 0 193.235 1.124 10 0 ADAERN CC(C)Nc1cccnc1N 116349939 573266156 /nfs/dbraw/zinc/26/61/56/573266156.db2.gz KEJXVVJGLZESDO-UHFFFAOYSA-N 0 0 151.213 1.484 10 0 ADAERN CC[C@H](C)[C@]1(C(C)C)NC(=O)NC1=O 142373573 573266159 /nfs/dbraw/zinc/26/61/59/573266159.db2.gz SJSIUKAKLGQVHF-XVKPBYJWSA-N 0 0 198.266 1.267 10 0 ADAERN CC(C)[C@]1(C)CCNC(=O)N1 257985083 573266196 /nfs/dbraw/zinc/26/61/96/573266196.db2.gz BIFBESODDKCHBF-QMMMGPOBSA-N 0 0 156.229 1.104 10 0 ADAERN CCn1ncc(N)c1C1CCC1 257986810 573266207 /nfs/dbraw/zinc/26/62/07/573266207.db2.gz BNHBZHQUYKFDDE-UHFFFAOYSA-N 0 0 165.240 1.753 10 0 ADAERN CC[C@@H](C)[C@@]1(C(C)C)NC(=O)NC1=O 142372987 573266211 /nfs/dbraw/zinc/26/62/11/573266211.db2.gz SJSIUKAKLGQVHF-GMSGAONNSA-N 0 0 198.266 1.267 10 0 ADAERN COc1ccc([C@@H](OC)N(C)C)cc1 259061139 573266222 /nfs/dbraw/zinc/26/62/22/573266222.db2.gz CRCZNMVTHLQBPU-LLVKDONJSA-N 0 0 195.262 1.902 10 0 ADAERN CCOc1ncc(N)n1C(C)C 258268344 573266227 /nfs/dbraw/zinc/26/62/27/573266227.db2.gz SKRQKPLWXZJFIR-UHFFFAOYSA-N 0 0 169.228 1.445 10 0 ADAERN C[C@H](CO)SCc1cccc(N)c1 162367170 573266228 /nfs/dbraw/zinc/26/62/28/573266228.db2.gz MYNRMTAVPUFKEG-MRVPVSSYSA-N 0 0 197.303 1.883 10 0 ADAERN CCCC(=O)CN1CCSCC1 50184298 573266282 /nfs/dbraw/zinc/26/62/82/573266282.db2.gz PHQPGJJPRIROEP-UHFFFAOYSA-N 0 0 187.308 1.404 10 0 ADAERN CN1CC(=O)C[C@@H]1c1cccnc1 238327907 573266297 /nfs/dbraw/zinc/26/62/97/573266297.db2.gz DOHZNHZHDHMXQB-SNVBAGLBSA-N 0 0 176.219 1.027 10 0 ADAERN CCC1=N[C@@H]2CC[C@H](O)C[C@H]2O1 257986384 573266302 /nfs/dbraw/zinc/26/63/02/573266302.db2.gz NWTXBXKLNAMVPQ-XLPZGREQSA-N 0 0 169.224 1.107 10 0 ADAERN COCC1=CCCC[C@H]1O 238327057 573266309 /nfs/dbraw/zinc/26/63/09/573266309.db2.gz FICHGPLHHNJHMJ-MRVPVSSYSA-N 0 0 142.198 1.104 10 0 ADAERN C[C@]12CCC[C@H](O)[C@@H]1C[C@H](CO)CC2 105478523 573266321 /nfs/dbraw/zinc/26/63/21/573266321.db2.gz BEKIKKBAEGCYLM-NOOOWODRSA-N 0 0 198.306 1.946 10 0 ADAERN CC(=O)N1CCc2cc(N)cc(F)c21 142403825 573266335 /nfs/dbraw/zinc/26/63/35/573266335.db2.gz PVPMRGXQGFJRJF-UHFFFAOYSA-N 0 0 194.209 1.317 10 0 ADAERN CCCNc1ccc(CO)cc1N 142374243 573266344 /nfs/dbraw/zinc/26/63/44/573266344.db2.gz CCFJJMXXVSSJST-UHFFFAOYSA-N 0 0 180.251 1.583 10 0 ADAERN CCOC(=O)[C@@]1(NC2CC2)CC[C@H]1C 308532741 573266352 /nfs/dbraw/zinc/26/63/52/573266352.db2.gz LHWUPQDQHBOYGU-LDYMZIIASA-N 0 0 197.278 1.470 10 0 ADAERN CONCc1ccccc1C[C@H](C)O 259397904 573266355 /nfs/dbraw/zinc/26/63/55/573266355.db2.gz LGTQHINNGNDZJI-VIFPVBQESA-N 0 0 195.262 1.261 10 0 ADAERN CN1CC(=O)N=C1c1ccc(F)cn1 236063202 573266360 /nfs/dbraw/zinc/26/63/60/573266360.db2.gz NLTJTDGJQNSXIE-UHFFFAOYSA-N 0 0 193.181 1.327 10 0 ADAERN C[C@H](c1ccccc1)[C@@H]1C[NH2+]CCO1 82896230 573266398 /nfs/dbraw/zinc/26/63/98/573266398.db2.gz WPCWOEDZTDHRBK-PWSUYJOCSA-N 0 0 191.274 1.779 10 0 ADAERN OC[C@H](O)c1ccc(C(F)F)nc1 116346518 573266414 /nfs/dbraw/zinc/26/64/14/573266414.db2.gz NXFYDTIMNXIIRJ-ZETCQYMHSA-N 0 0 189.161 1.045 10 0 ADAERN C[C@@]1(F)CCc2onc(C=O)c21 257986778 573266440 /nfs/dbraw/zinc/26/64/40/573266440.db2.gz BMMFRLBVLUEJQI-MRVPVSSYSA-N 0 0 169.155 1.618 10 0 ADAERN CC(=O)c1cc(F)cc(C(C)=O)c1O 142382649 573266460 /nfs/dbraw/zinc/26/64/60/573266460.db2.gz ZCHKBCGLUJXPLY-UHFFFAOYSA-N 0 0 196.177 1.937 10 0 ADAERN Cc1cccc2[nH]oc(=O)c12 258615975 573266471 /nfs/dbraw/zinc/26/64/71/573266471.db2.gz WIUDZGWKFPYJHR-UHFFFAOYSA-N 0 0 149.149 1.430 10 0 ADAERN CNc1cc(Cl)c(C=O)cn1 238328072 573266488 /nfs/dbraw/zinc/26/64/88/573266488.db2.gz CUJHWYJULIKKJN-UHFFFAOYSA-N 0 0 170.599 1.589 10 0 ADAERN CSc1cc2ncc(N)cn2n1 116340804 573266492 /nfs/dbraw/zinc/26/64/92/573266492.db2.gz HEBKBDYORDFRAF-UHFFFAOYSA-N 0 0 180.236 1.033 10 0 ADAERN CSCC(=O)[C@@H]1OCC[C@@H]1C 123938185 573266532 /nfs/dbraw/zinc/26/65/32/573266532.db2.gz HEQGRUBZOGKPSB-POYBYMJQSA-N 0 0 174.265 1.344 10 0 ADAERN Cc1cc(N)cc2c(C)n(C)nc12 259397933 573266547 /nfs/dbraw/zinc/26/65/47/573266547.db2.gz LHGWVCICOAFXBD-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN CSCC(=O)[C@H]1OCC[C@@H]1C 123937808 573266559 /nfs/dbraw/zinc/26/65/59/573266559.db2.gz HEQGRUBZOGKPSB-XPUUQOCRSA-N 0 0 174.265 1.344 10 0 ADAERN C[C@@H]1CO[C@@H](Cc2cccc(F)c2)[NH2+]1 258265313 573267762 /nfs/dbraw/zinc/26/77/62/573267762.db2.gz AZXZQHYHCQQDLF-KCJUWKMLSA-N 0 0 195.237 1.703 10 0 ADAERN CC[C@@H](C)NC(=O)c1ccc(N)o1 105515350 573266585 /nfs/dbraw/zinc/26/65/85/573266585.db2.gz LZDIEGCOEJNRMK-ZCFIWIBFSA-N 0 0 182.223 1.390 10 0 ADAERN CO[C@H]1C=C[C@H](CC(C)=O)CC1 238327154 573266592 /nfs/dbraw/zinc/26/65/92/573266592.db2.gz UBTLKAVBXBRNBM-UWVGGRQHSA-N 0 0 168.236 1.947 10 0 ADAERN Cc1ccc2c(c1)O[C@@H]([C@H](C)O)C2 257986032 573266656 /nfs/dbraw/zinc/26/66/56/573266656.db2.gz HNEVBESYZRMNIW-WCBMZHEXSA-N 0 0 178.231 1.679 10 0 ADAERN CN1CC(=O)N=C1c1ccc(F)cc1 236063185 573266662 /nfs/dbraw/zinc/26/66/62/573266662.db2.gz LXBMUNBYAAILET-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CSCC(=O)[C@@H]1OCC[C@H]1C 123937971 573266668 /nfs/dbraw/zinc/26/66/68/573266668.db2.gz HEQGRUBZOGKPSB-HTRCEHHLSA-N 0 0 174.265 1.344 10 0 ADAERN Clc1nnnc2ccoc12 259063873 573266694 /nfs/dbraw/zinc/26/66/94/573266694.db2.gz BNSAWGABVXXWLJ-UHFFFAOYSA-N 0 0 155.544 1.271 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2cc(F)ccc2O1 258265691 573266695 /nfs/dbraw/zinc/26/66/95/573266695.db2.gz YQFXGGYXNLBDCF-OIBJUYFYSA-N 0 0 196.221 1.900 10 0 ADAERN C[C@@H]1COC(=O)c2c(O)cccc21 142396272 573266698 /nfs/dbraw/zinc/26/66/98/573266698.db2.gz CGBRCBHMPQOCAT-ZCFIWIBFSA-N 0 0 178.187 1.666 10 0 ADAERN Cc1coc([C@@H](O)[C@@H]2CCCO2)c1 715747615 573266722 /nfs/dbraw/zinc/26/67/22/573266722.db2.gz XDIPMBXNYOKKDP-WPRPVWTQSA-N 0 0 182.219 1.800 10 0 ADAERN C[C@@H](O)[C@@H](F)c1cccc(O)c1 257986794 573266729 /nfs/dbraw/zinc/26/67/29/573266729.db2.gz BMTWJLYYGQZDSY-HZGVNTEJSA-N 0 0 170.183 1.784 10 0 ADAERN CCc1cnc(C)c(O)c1CO 142379581 573266734 /nfs/dbraw/zinc/26/67/34/573266734.db2.gz NMGSTCZAHRSTPC-UHFFFAOYSA-N 0 0 167.208 1.150 10 0 ADAERN O=C1CCc2cc3oc(=O)[nH]c3cc21 142460999 573267854 /nfs/dbraw/zinc/26/78/54/573267854.db2.gz HAEJTHAZVLOGLN-UHFFFAOYSA-N 0 0 189.170 1.250 10 0 ADAERN CC[C@]1(C(C)(C)C)NC(=O)NC1=O 142370616 573266759 /nfs/dbraw/zinc/26/67/59/573266759.db2.gz MLFAOJBQEJIQHC-VIFPVBQESA-N 0 0 184.239 1.021 10 0 ADAERN CC[C@@H](C)[C@]1(C(C)C)NC(=O)NC1=O 142373371 573266769 /nfs/dbraw/zinc/26/67/69/573266769.db2.gz SJSIUKAKLGQVHF-XCBNKYQSSA-N 0 0 198.266 1.267 10 0 ADAERN CCC(CC)C[C@]1(C(=O)[O-])CC[NH2+]C1 129263640 573266773 /nfs/dbraw/zinc/26/67/73/573266773.db2.gz VLWDQCZGCNHWCO-LLVKDONJSA-N 0 0 199.294 1.877 10 0 ADAERN CN1CCC[C@@H]1c1ncc(CO)s1 258148164 573266795 /nfs/dbraw/zinc/26/67/95/573266795.db2.gz QHUAEXGBDZJIDP-MRVPVSSYSA-N 0 0 198.291 1.402 10 0 ADAERN CC(=O)[C@H](CCO)CCC[C@H](C)O 308340820 573266817 /nfs/dbraw/zinc/26/68/17/573266817.db2.gz QVCHUBAZOBAVKP-WPRPVWTQSA-N 0 0 188.267 1.125 10 0 ADAERN COC(=O)[C@@]1(c2cc[nH]c2)C[C@@H]1C 259062923 573266818 /nfs/dbraw/zinc/26/68/18/573266818.db2.gz WWHMTYOEXDAAHB-XVKPBYJWSA-N 0 0 179.219 1.465 10 0 ADAERN CC1CCC(=CC(N)=O)CC1 142461098 573266845 /nfs/dbraw/zinc/26/68/45/573266845.db2.gz DVSPJHNVLFYCJX-UHFFFAOYSA-N 0 0 153.225 1.608 10 0 ADAERN NC(=O)OCc1ccc2c(c1)OCO2 142407192 573266854 /nfs/dbraw/zinc/26/68/54/573266854.db2.gz KDVLLERYHROCTO-UHFFFAOYSA-N 0 0 195.174 1.011 10 0 ADAERN CC(C)C(=O)N(C)C1CCC(O)CC1 259062782 573266860 /nfs/dbraw/zinc/26/68/60/573266860.db2.gz HQHAYNMLFYJXTH-UHFFFAOYSA-N 0 0 199.294 1.404 10 0 ADAERN NC(=S)/C=C\c1ccco1 74413506 573266887 /nfs/dbraw/zinc/26/68/87/573266887.db2.gz UYIWKECNJOTRJQ-ARJAWSKDSA-N 0 0 153.206 1.579 10 0 ADAERN COC(=O)[C@H]1CC[C@@H](C=C(C)C)N1 238327668 573266893 /nfs/dbraw/zinc/26/68/93/573266893.db2.gz HNSXJEFHYPEESW-DTWKUNHWSA-N 0 0 183.251 1.246 10 0 ADAERN C[C@@H]1C(=O)Nc2ccc(F)cc2N1C 86159011 573268702 /nfs/dbraw/zinc/26/87/02/573268702.db2.gz GTCFWTNVUUQAEU-ZCFIWIBFSA-N 0 0 194.209 1.603 10 0 ADAERN CCC1=N[C@@H]2CC[C@@H](O)C[C@@H]2O1 257986376 573266924 /nfs/dbraw/zinc/26/69/24/573266924.db2.gz NWTXBXKLNAMVPQ-PRJMDXOYSA-N 0 0 169.224 1.107 10 0 ADAERN CC(C)(C)c1nncc(Cl)n1 259401340 573266925 /nfs/dbraw/zinc/26/69/25/573266925.db2.gz YTDAHUFRTCHSEE-UHFFFAOYSA-N 0 0 171.631 1.823 10 0 ADAERN CC(C)C[C@@]1(C)COC(=O)C1 258615831 573266926 /nfs/dbraw/zinc/26/69/26/573266926.db2.gz WGUSLJWDSISFDR-SECBINFHSA-N 0 0 156.225 1.986 10 0 ADAERN COc1cc(P(C)(C)=O)ccc1N 116336147 573266943 /nfs/dbraw/zinc/26/69/43/573266943.db2.gz XSUFWLZYYKQQRC-UHFFFAOYSA-N 0 0 199.190 1.525 10 0 ADAERN Nc1ccnn1Cc1ccncc1F 116334238 573266979 /nfs/dbraw/zinc/26/69/79/573266979.db2.gz NKCALCOYPLGURI-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN CNc1cc(C)oc(=O)c1C(C)=O 238327634 573266983 /nfs/dbraw/zinc/26/69/83/573266983.db2.gz FKOLLGHFOOUBDC-UHFFFAOYSA-N 0 0 181.191 1.193 10 0 ADAERN CCCC(=O)CN(CC)CCOC 50184206 573266987 /nfs/dbraw/zinc/26/69/87/573266987.db2.gz IUWQUYQAVIUKLW-UHFFFAOYSA-N 0 0 187.283 1.324 10 0 ADAERN Nc1snnc1CNC1CCCC1 257985106 573266994 /nfs/dbraw/zinc/26/69/94/573266994.db2.gz XJXCMOIQFBFHFW-UHFFFAOYSA-N 0 0 198.295 1.153 10 0 ADAERN COC(=O)[C@@]1(C2CCC2)C[C@H]1C 259060343 573269119 /nfs/dbraw/zinc/26/91/19/573269119.db2.gz WPRXCKYCFVBBKP-XCBNKYQSSA-N 0 0 168.236 1.986 10 0 ADAERN CNc1cc(CO)cc(NC)c1 238327893 573267007 /nfs/dbraw/zinc/26/70/07/573267007.db2.gz GNYOKBHPTSNHIR-UHFFFAOYSA-N 0 0 166.224 1.262 10 0 ADAERN COC(=O)c1c(F)ccn2cncc12 238327475 573267015 /nfs/dbraw/zinc/26/70/15/573267015.db2.gz XDNXPXYEHCDUDU-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN COC(=O)[C@]1(c2ccncc2)C[C@H]1C 259060471 573267029 /nfs/dbraw/zinc/26/70/29/573267029.db2.gz WQOYRKLEBJNVPI-LDYMZIIASA-N 0 0 191.230 1.532 10 0 ADAERN CC(C)[N@@H+]1CCC=C(CC(=O)[O-])C1 258267725 573267037 /nfs/dbraw/zinc/26/70/37/573267037.db2.gz YUGKKIOVYZAHLU-UHFFFAOYSA-N 0 0 183.251 1.502 10 0 ADAERN CCC1=N[C@@H]2CC[C@@H](O)C[C@H]2S1 257986307 573267038 /nfs/dbraw/zinc/26/70/38/573267038.db2.gz NWMLHQOCRULCBL-BWZBUEFSSA-N 0 0 185.292 1.824 10 0 ADAERN CCCC(=O)CN1CCO[C@@H](C)C1 50184102 573267043 /nfs/dbraw/zinc/26/70/43/573267043.db2.gz RYFPNZQWKVLVHV-VIFPVBQESA-N 0 0 185.267 1.076 10 0 ADAERN CC[C@@H](C(C)C)N1CN[C@H](CC)C1=O 143795332 573267044 /nfs/dbraw/zinc/26/70/44/573267044.db2.gz RZAPOYCKBXJGNA-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN Cn1ccnc1C[C@@H](O)[C@@H]1CC1(C)C 236068467 573267057 /nfs/dbraw/zinc/26/70/57/573267057.db2.gz FPLXZRRANQAJPY-DTWKUNHWSA-N 0 0 194.278 1.370 10 0 ADAERN OC[C@H]1Cc2ccccc2S1 86097069 573267067 /nfs/dbraw/zinc/26/70/67/573267067.db2.gz YUFVIIJIEMGOBP-MRVPVSSYSA-N 0 0 166.245 1.696 10 0 ADAERN OC[C@@H]1Cc2ccccc2S1 86097074 573267072 /nfs/dbraw/zinc/26/70/72/573267072.db2.gz YUFVIIJIEMGOBP-QMMMGPOBSA-N 0 0 166.245 1.696 10 0 ADAERN Cc1cc(C)nc(CCCO)n1 257986831 573267083 /nfs/dbraw/zinc/26/70/83/573267083.db2.gz BNVHTLIWCBNLOS-UHFFFAOYSA-N 0 0 166.224 1.018 10 0 ADAERN CC[C@]12C=CC=CC1=NC[C@@H]2CCO 142374020 573267099 /nfs/dbraw/zinc/26/70/99/573267099.db2.gz JKXWFZUEEWQFNX-CMPLNLGQSA-N 0 0 191.274 1.962 10 0 ADAERN CN1CC(=O)N=C1c1ccoc1 236063390 573267106 /nfs/dbraw/zinc/26/71/06/573267106.db2.gz FCYKHVVYTHPPTB-UHFFFAOYSA-N 0 0 164.164 1.386 10 0 ADAERN Cn1ccnc1C[C@H](O)[C@@H]1CC1(C)C 236073044 573267131 /nfs/dbraw/zinc/26/71/31/573267131.db2.gz FPLXZRRANQAJPY-IUCAKERBSA-N 0 0 194.278 1.370 10 0 ADAERN C[C@@]12CC=CC[C@H]1CC(=O)CC2=O 105450957 573267137 /nfs/dbraw/zinc/26/71/37/573267137.db2.gz VLEIDMVTRLJGAG-GZMMTYOYSA-N 0 0 178.231 1.891 10 0 ADAERN COC(=O)c1c(F)ccn2nccc12 238327489 573267160 /nfs/dbraw/zinc/26/71/60/573267160.db2.gz SEDQLRXAGKBNRN-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN CNc1ncc2ccc(OC)cc2n1 238328052 573267169 /nfs/dbraw/zinc/26/71/69/573267169.db2.gz FPURJYHFWNKCMB-UHFFFAOYSA-N 0 0 189.218 1.680 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](CON)N2C 258267832 573267192 /nfs/dbraw/zinc/26/71/92/573267192.db2.gz YVEKXUGYQKKCOU-JTQLQIEISA-N 0 0 192.262 1.246 10 0 ADAERN C[C@H](CO)c1ccc2ncoc2c1 257986768 573267196 /nfs/dbraw/zinc/26/71/96/573267196.db2.gz KHKPULKLUFWOAZ-SSDOTTSWSA-N 0 0 177.203 1.924 10 0 ADAERN CCOC(=O)[C@@H](C)CNCC(F)F 147581923 573267730 /nfs/dbraw/zinc/26/77/30/573267730.db2.gz WEMFQZBHXZGCEV-LURJTMIESA-N 0 0 195.209 1.040 10 0 ADAERN CC[C@@H](C)[C@@]1(CC)NC(=O)NC1=O 142376409 573267228 /nfs/dbraw/zinc/26/72/28/573267228.db2.gz PXNYMZJJYFUBEP-HZGVNTEJSA-N 0 0 184.239 1.021 10 0 ADAERN C[C@]12CC=CC[C@@H]1CC(=O)CC2=O 105450954 573267233 /nfs/dbraw/zinc/26/72/33/573267233.db2.gz VLEIDMVTRLJGAG-KCJUWKMLSA-N 0 0 178.231 1.891 10 0 ADAERN Cc1ccc([C@@H](C)O)c2c1OCO2 257986422 573267247 /nfs/dbraw/zinc/26/72/47/573267247.db2.gz KCQAXEBGROTSLV-SSDOTTSWSA-N 0 0 180.203 1.777 10 0 ADAERN CC(C)=C1C=C(C(=O)[O-])C[N@@H+](C)C1 238327550 573267266 /nfs/dbraw/zinc/26/72/66/573267266.db2.gz MKRUDXBGNLUBOK-UHFFFAOYSA-N 0 0 181.235 1.279 10 0 ADAERN CC(=O)c1cccc(O[C@@H](C)CO)c1 308532824 573267282 /nfs/dbraw/zinc/26/72/82/573267282.db2.gz KOEGLXCMTMUHHT-QMMMGPOBSA-N 0 0 194.230 1.649 10 0 ADAERN Cn1cncc1[C@@H](O)CCC1CC1 126075951 573267283 /nfs/dbraw/zinc/26/72/83/573267283.db2.gz ZQCJAZYZOONGKS-JTQLQIEISA-N 0 0 180.251 1.644 10 0 ADAERN CO[C@@H]1CC[C@@H](C)C(=O)C1 238327051 573267290 /nfs/dbraw/zinc/26/72/90/573267290.db2.gz RKUTZBXRHQLXDS-RNFRBKRXSA-N 0 0 142.198 1.391 10 0 ADAERN CN1N[C@@]1(C)C(=O)c1ccccc1 238327150 573267325 /nfs/dbraw/zinc/26/73/25/573267325.db2.gz PSCHMOAQUIPEMK-RWANSRKNSA-N 0 0 176.219 1.036 10 0 ADAERN C[C@H](O)CCC(=O)OCC[C@@H](C)F 308335738 573267347 /nfs/dbraw/zinc/26/73/47/573267347.db2.gz NYOPTFDFTWBANL-SFYZADRCSA-N 0 0 192.230 1.439 10 0 ADAERN CNc1cc(C)nc2c(C)c(C)nn12 238327559 573267352 /nfs/dbraw/zinc/26/73/52/573267352.db2.gz ZNLAQPFVMYTEDQ-UHFFFAOYSA-N 0 0 190.250 1.696 10 0 ADAERN CN1CCNc2cccc(O)c21 259400440 573267365 /nfs/dbraw/zinc/26/73/65/573267365.db2.gz XEPKQROGCBVSJH-UHFFFAOYSA-N 0 0 164.208 1.254 10 0 ADAERN COC(=O)[C@@H]1C=Cc2ccncc21 238328211 573267371 /nfs/dbraw/zinc/26/73/71/573267371.db2.gz ABRDZFYNZPUXTE-MRVPVSSYSA-N 0 0 175.187 1.365 10 0 ADAERN CN1CC(=O)N=C1c1ccsc1 236063403 573267397 /nfs/dbraw/zinc/26/73/97/573267397.db2.gz VDSAPVSLJLOVBE-UHFFFAOYSA-N 0 0 180.232 1.854 10 0 ADAERN Nc1nc(Cl)nc(CC2CC2)n1 116324303 573267420 /nfs/dbraw/zinc/26/74/20/573267420.db2.gz UBRXCYFPTMYJIU-UHFFFAOYSA-N 0 0 184.630 1.060 10 0 ADAERN CCCC(=O)CN1CCC(=O)CC1 50184322 573267427 /nfs/dbraw/zinc/26/74/27/573267427.db2.gz RDYPXERWQBULGQ-UHFFFAOYSA-N 0 0 183.251 1.021 10 0 ADAERN CN1N[C@]1(C)C(=O)c1ccccc1 238327239 573267473 /nfs/dbraw/zinc/26/74/73/573267473.db2.gz PSCHMOAQUIPEMK-NUHJPDEHSA-N 0 0 176.219 1.036 10 0 ADAERN C[C@H](F)CCOC(=O)CC[C@@H](C)O 308335737 573267508 /nfs/dbraw/zinc/26/75/08/573267508.db2.gz NYOPTFDFTWBANL-JGVFFNPUSA-N 0 0 192.230 1.439 10 0 ADAERN O=C1CN=C2C=C(F)C=CN12 258615858 573267512 /nfs/dbraw/zinc/26/75/12/573267512.db2.gz WHNQPPGLTJNGMY-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN C[C@@]1(c2ccc(O)cc2)NCCC1=O 257985789 573267520 /nfs/dbraw/zinc/26/75/20/573267520.db2.gz AORAJNBERBGHCS-NSHDSACASA-N 0 0 191.230 1.170 10 0 ADAERN CC[C@@H](CNc1cc[nH]c1)C(=O)OC 259063837 573267525 /nfs/dbraw/zinc/26/75/25/573267525.db2.gz TUTBLFAIPUYCKU-QMMMGPOBSA-N 0 0 196.250 1.626 10 0 ADAERN CCCC(=O)CN1CCO[C@H](CC)C1 50184144 573267530 /nfs/dbraw/zinc/26/75/30/573267530.db2.gz WCDAEWDKKXLBEW-LLVKDONJSA-N 0 0 199.294 1.466 10 0 ADAERN CC[C@H](C)c1nc(N)nc(Cl)n1 116324290 573267746 /nfs/dbraw/zinc/26/77/46/573267746.db2.gz SIVFDPWEZDLBQQ-BYPYZUCNSA-N 0 0 186.646 1.621 10 0 ADAERN N[C@@H](F)C1CCSCC1 258615966 573267556 /nfs/dbraw/zinc/26/75/56/573267556.db2.gz WISARLANUCOLQC-ZCFIWIBFSA-N 0 0 149.234 1.384 10 0 ADAERN COc1ccc([C@H](OC)N(C)C)cc1 259061144 573267562 /nfs/dbraw/zinc/26/75/62/573267562.db2.gz CRCZNMVTHLQBPU-NSHDSACASA-N 0 0 195.262 1.902 10 0 ADAERN CCOC(=O)[C@]1(NC2CC2)CC[C@H]1C 308532736 573267622 /nfs/dbraw/zinc/26/76/22/573267622.db2.gz LHWUPQDQHBOYGU-KCJUWKMLSA-N 0 0 197.278 1.470 10 0 ADAERN NNC[C@@H]1CSc2ccccc21 86098368 573267637 /nfs/dbraw/zinc/26/76/37/573267637.db2.gz OPJPHHMVRUTCCW-SSDOTTSWSA-N 0 0 180.276 1.339 10 0 ADAERN CSc1ccccc1C(=O)CN 86098058 573267646 /nfs/dbraw/zinc/26/76/46/573267646.db2.gz HLZMNSDTYMWPLY-UHFFFAOYSA-N 0 0 181.260 1.550 10 0 ADAERN OCc1cc(C(F)F)on1 257986642 573267660 /nfs/dbraw/zinc/26/76/60/573267660.db2.gz KFOIASHNKMPOIZ-UHFFFAOYSA-N 0 0 149.096 1.105 10 0 ADAERN CCC1=N[C@@H]2CC[C@@H](O)C[C@H]2O1 257986373 573267685 /nfs/dbraw/zinc/26/76/85/573267685.db2.gz NWTXBXKLNAMVPQ-BWZBUEFSSA-N 0 0 169.224 1.107 10 0 ADAERN COC(=O)[C@]1(C2CCC2)C[C@@H]1C 259060339 573267691 /nfs/dbraw/zinc/26/76/91/573267691.db2.gz WPRXCKYCFVBBKP-OIBJUYFYSA-N 0 0 168.236 1.986 10 0 ADAERN Cc1coc(-c2cnoc2N)n1 257986685 573267708 /nfs/dbraw/zinc/26/77/08/573267708.db2.gz BLHVBGOWPBHYKD-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN C/C=C\C[N@@H+]1CC[C@H](CCC(=O)[O-])C1 308338493 573269185 /nfs/dbraw/zinc/26/91/85/573269185.db2.gz GBZMSHDPXXGUPQ-ZMWSMAPVSA-N 0 0 197.278 1.749 10 0 ADAERN COC(=O)[C@@H]1C=CC[C@H]1C 238327935 573267784 /nfs/dbraw/zinc/26/77/84/573267784.db2.gz ZLWZVFYYSHDXFQ-RNFRBKRXSA-N 0 0 140.182 1.372 10 0 ADAERN CC[C@@H](C)[C@]1(CC)NC(=O)NC1=O 142376809 573267792 /nfs/dbraw/zinc/26/77/92/573267792.db2.gz PXNYMZJJYFUBEP-MUWHJKNJSA-N 0 0 184.239 1.021 10 0 ADAERN CC(C)=C(C)C(=O)NC[C@@H](C)CO 308340832 573267796 /nfs/dbraw/zinc/26/77/96/573267796.db2.gz QVPCCDDTAHOESS-MRVPVSSYSA-N 0 0 185.267 1.087 10 0 ADAERN O=Cc1cnc(C[C@@H]2CCOC2)o1 257985321 573267797 /nfs/dbraw/zinc/26/77/97/573267797.db2.gz HUBOSSHDENDGJV-ZETCQYMHSA-N 0 0 181.191 1.066 10 0 ADAERN Cc1ccc(-c2ccnn2C)o1 259400821 573267812 /nfs/dbraw/zinc/26/78/12/573267812.db2.gz XIOGKDXWQVFDQV-UHFFFAOYSA-N 0 0 162.192 1.989 10 0 ADAERN O=C([O-])C[C@H]1[NH2+]CC[C@H]1c1ccco1 82898458 573267826 /nfs/dbraw/zinc/26/78/26/573267826.db2.gz KUQAYYGCNDZECS-HTQZYQBOSA-N 0 0 195.218 1.200 10 0 ADAERN CSCC(=O)[C@H]1OCC[C@H]1C 123937609 573267827 /nfs/dbraw/zinc/26/78/27/573267827.db2.gz HEQGRUBZOGKPSB-SVRRBLITSA-N 0 0 174.265 1.344 10 0 ADAERN NNC[C@H]1CSc2ccccc21 86098370 573267831 /nfs/dbraw/zinc/26/78/31/573267831.db2.gz OPJPHHMVRUTCCW-ZETCQYMHSA-N 0 0 180.276 1.339 10 0 ADAERN Cc1c2c(F)c(N)ccc2nn1C 259397908 573267834 /nfs/dbraw/zinc/26/78/34/573267834.db2.gz LGUVBXYVHAWEAZ-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN N[C@H](F)C1CCSCC1 258615961 573267843 /nfs/dbraw/zinc/26/78/43/573267843.db2.gz WISARLANUCOLQC-LURJTMIESA-N 0 0 149.234 1.384 10 0 ADAERN COc1c(C)ccc(CON)c1C 257986580 573267852 /nfs/dbraw/zinc/26/78/52/573267852.db2.gz KFBATJBQMIZRBI-UHFFFAOYSA-N 0 0 181.235 1.702 10 0 ADAERN CO[C@@H]1CC[C@@H]2[C@@H](O)CCC[C@]21C 238328074 573267859 /nfs/dbraw/zinc/26/78/59/573267859.db2.gz KYEUYHDCRZRMPM-LMLFDSFASA-N 0 0 184.279 1.963 10 0 ADAERN Cc1ccc(N)cc1N(C)[C@H](C)CO 123940361 573267891 /nfs/dbraw/zinc/26/78/91/573267891.db2.gz LEUDDCGZWPNYOI-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN COC(=O)[C@@]1(C2CCC2)C[C@@H]1C 259060346 573267897 /nfs/dbraw/zinc/26/78/97/573267897.db2.gz WPRXCKYCFVBBKP-XVKPBYJWSA-N 0 0 168.236 1.986 10 0 ADAERN O=C([O-])C1([NH2+]C2CCCC2)CC1 116359793 573267906 /nfs/dbraw/zinc/26/79/06/573267906.db2.gz WQCJOYFLPLHIAM-UHFFFAOYSA-N 0 0 169.224 1.136 10 0 ADAERN CC(=O)[C@@H](CCO)CCC[C@@H](C)O 308340817 573267969 /nfs/dbraw/zinc/26/79/69/573267969.db2.gz QVCHUBAZOBAVKP-PSASIEDQSA-N 0 0 188.267 1.125 10 0 ADAERN Cc1cc([C@@H](C)CO)cc(N)c1C 259605397 573267970 /nfs/dbraw/zinc/26/79/70/573267970.db2.gz ZZPLFNLCKKELPW-QMMMGPOBSA-N 0 0 179.263 1.981 10 0 ADAERN Cc1ccc2c(c1)C[C@H](CON)N2C 258267834 573267971 /nfs/dbraw/zinc/26/79/71/573267971.db2.gz YVEKXUGYQKKCOU-SNVBAGLBSA-N 0 0 192.262 1.246 10 0 ADAERN CCC(CC)Cn1ccnc1CO 129274523 573267972 /nfs/dbraw/zinc/26/79/72/573267972.db2.gz MQGFKFAEKVFIRX-UHFFFAOYSA-N 0 0 182.267 1.812 10 0 ADAERN CNOC[C@@H]1CCCCS1 258615736 573267981 /nfs/dbraw/zinc/26/79/81/573267981.db2.gz WFGTXCPSJPQJAC-ZETCQYMHSA-N 0 0 161.270 1.423 10 0 ADAERN O=Cc1cnc(C[C@H]2CCOC2)o1 257985319 573267984 /nfs/dbraw/zinc/26/79/84/573267984.db2.gz HUBOSSHDENDGJV-SSDOTTSWSA-N 0 0 181.191 1.066 10 0 ADAERN COc1cc2c(c(C[NH3+])c1F)OCO2 258265542 573268028 /nfs/dbraw/zinc/26/80/28/573268028.db2.gz YUGWGMOIGCIZGZ-UHFFFAOYSA-N 0 0 199.181 1.022 10 0 ADAERN COc1cc(F)c(O)cc1[C@H](C)C[NH3+] 258265508 573268073 /nfs/dbraw/zinc/26/80/73/573268073.db2.gz YTYUWAMPOIAKAU-ZCFIWIBFSA-N 0 0 199.225 1.602 10 0 ADAERN COCNCc1ccccc1F 259063845 573268079 /nfs/dbraw/zinc/26/80/79/573268079.db2.gz LEYKZGCJMSFVDQ-UHFFFAOYSA-N 0 0 169.199 1.519 10 0 ADAERN Cc1ccc([C@H](C)O)c2c1OCO2 257986427 573268098 /nfs/dbraw/zinc/26/80/98/573268098.db2.gz KCQAXEBGROTSLV-ZETCQYMHSA-N 0 0 180.203 1.777 10 0 ADAERN O=C(CC[C@H]1CCCO1)c1cn[nH]c1 308532171 573268118 /nfs/dbraw/zinc/26/81/18/573268118.db2.gz LEZONMCAFXBJQO-SECBINFHSA-N 0 0 194.234 1.552 10 0 ADAERN CONC[C@@H]1Cc2ccccc2S1 86099261 573268124 /nfs/dbraw/zinc/26/81/24/573268124.db2.gz WMXGWPMOFDDGHQ-VIFPVBQESA-N 0 0 195.287 1.854 10 0 ADAERN C[C@H](O)C(F)(F)C1CC1 257986669 573268125 /nfs/dbraw/zinc/26/81/25/573268125.db2.gz BLGARNCGSXQMIQ-BYPYZUCNSA-N 0 0 136.141 1.413 10 0 ADAERN Nc1ncc2oc3ccccc3c2n1 142461917 573268131 /nfs/dbraw/zinc/26/81/31/573268131.db2.gz NHQNOMLMASRHKT-UHFFFAOYSA-N 0 0 185.186 1.958 10 0 ADAERN CN1CCC[C@H]1c1ncc(CO)s1 258148167 573268135 /nfs/dbraw/zinc/26/81/35/573268135.db2.gz QHUAEXGBDZJIDP-QMMMGPOBSA-N 0 0 198.291 1.402 10 0 ADAERN CONC[C@H]1Cc2ccccc2S1 86099264 573268153 /nfs/dbraw/zinc/26/81/53/573268153.db2.gz WMXGWPMOFDDGHQ-SECBINFHSA-N 0 0 195.287 1.854 10 0 ADAERN CC(C)(CO)c1cccc(O)c1 142378164 573268161 /nfs/dbraw/zinc/26/81/61/573268161.db2.gz LMGODTHSMIDPLS-UHFFFAOYSA-N 0 0 166.220 1.662 10 0 ADAERN CNC(=O)[C@@H]1C=C(OC)CCC1 238327191 573268183 /nfs/dbraw/zinc/26/81/83/573268183.db2.gz ZFEANQVAZJXHPQ-ZETCQYMHSA-N 0 0 169.224 1.063 10 0 ADAERN CCc1[nH]nc2nc(F)ccc12 238327739 573268193 /nfs/dbraw/zinc/26/81/93/573268193.db2.gz CXDFLVSKABDQHP-UHFFFAOYSA-N 0 0 165.171 1.659 10 0 ADAERN CC[C@@]12C=CC=CC1=NC[C@@H]2CCO 142373816 573268205 /nfs/dbraw/zinc/26/82/05/573268205.db2.gz JKXWFZUEEWQFNX-JQWIXIFHSA-N 0 0 191.274 1.962 10 0 ADAERN CC(=O)c1c(C)cc(=O)oc1C 142411112 573268262 /nfs/dbraw/zinc/26/82/62/573268262.db2.gz FTVGJCJYJSQCTA-UHFFFAOYSA-N 0 0 166.176 1.459 10 0 ADAERN CC(C)CNC(=O)c1ccc(N)o1 105515385 573268267 /nfs/dbraw/zinc/26/82/67/573268267.db2.gz VISVTVQYZRVDLS-UHFFFAOYSA-N 0 0 182.223 1.248 10 0 ADAERN Cc1cc([C@H](C)CO)cc(N)c1C 259605392 573268272 /nfs/dbraw/zinc/26/82/72/573268272.db2.gz ZZPLFNLCKKELPW-MRVPVSSYSA-N 0 0 179.263 1.981 10 0 ADAERN CO[C@@H]1CC[C@H]2C(=O)CC[C@@H]12 238328183 573268279 /nfs/dbraw/zinc/26/82/79/573268279.db2.gz QYDVZEULDYNGPL-ZXFLCMHBSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@H](NCc1ccco1)c1ncon1 308532513 573268296 /nfs/dbraw/zinc/26/82/96/573268296.db2.gz RXCGATWHCUYAOC-ZETCQYMHSA-N 0 0 193.206 1.513 10 0 ADAERN O[C@H]1Cc2c(F)cccc21 257986717 573268311 /nfs/dbraw/zinc/26/83/11/573268311.db2.gz BLONGMYLNCPUCP-QMMMGPOBSA-N 0 0 138.141 1.415 10 0 ADAERN CCCc1oncc1C=O 259400444 573268352 /nfs/dbraw/zinc/26/83/52/573268352.db2.gz XESQLCNKINUWJW-UHFFFAOYSA-N 0 0 139.154 1.440 10 0 ADAERN CC(C)C[C@]1(C)COC(=O)C1 258615835 573268353 /nfs/dbraw/zinc/26/83/53/573268353.db2.gz WGUSLJWDSISFDR-VIFPVBQESA-N 0 0 156.225 1.986 10 0 ADAERN Cn1ccnc1C[C@H](O)[C@H]1CC1(C)C 236073226 573268363 /nfs/dbraw/zinc/26/83/63/573268363.db2.gz FPLXZRRANQAJPY-BDAKNGLRSA-N 0 0 194.278 1.370 10 0 ADAERN C[C@H]1CCn2c(c[nH]c2=O)C1 258617319 573269155 /nfs/dbraw/zinc/26/91/55/573269155.db2.gz WKDZJMWHMYEDOD-LURJTMIESA-N 0 0 152.197 1.171 10 0 ADAERN CNc1cc(C)cnc1C(=O)OC 238327442 573268380 /nfs/dbraw/zinc/26/83/80/573268380.db2.gz PYRWXKYLQGTNNM-UHFFFAOYSA-N 0 0 180.207 1.218 10 0 ADAERN Cc1cccc2c1C[C@@H]([C@H](C)O)N2C 257986911 573268390 /nfs/dbraw/zinc/26/83/90/573268390.db2.gz BCDGHCKKPXDXBY-CABZTGNLSA-N 0 0 191.274 1.737 10 0 ADAERN CCCC(=O)CN1C[C@@H](C)OC[C@@H]1C 50184143 573268404 /nfs/dbraw/zinc/26/84/04/573268404.db2.gz GNOXLCUZVHFPKS-VHSXEESVSA-N 0 0 199.294 1.465 10 0 ADAERN CCCN1CCC(C)(C)C(=O)C1 258615105 573268405 /nfs/dbraw/zinc/26/84/05/573268405.db2.gz BARDCIQZEGNILO-UHFFFAOYSA-N 0 0 169.268 1.697 10 0 ADAERN Cc1[nH]c(CCC(F)(F)F)nc1O 235751531 573268421 /nfs/dbraw/zinc/26/84/21/573268421.db2.gz QTEGXKVJOZSHMP-UHFFFAOYSA-N 0 0 194.156 1.919 10 0 ADAERN O=C1CSc2c(CO)cccc2N1 259400689 573268441 /nfs/dbraw/zinc/26/84/41/573268441.db2.gz XGDLDMYOIBUYPS-UHFFFAOYSA-N 0 0 195.243 1.223 10 0 ADAERN CO[C@@H]1CC[C@@H](O)[C@@H](C(C)C)C1 238327534 573268449 /nfs/dbraw/zinc/26/84/49/573268449.db2.gz LQMVQZMIRUEFIM-OPRDCNLKSA-N 0 0 172.268 1.818 10 0 ADAERN C[NH2+][C@H](C)c1c(C)cccc1C(=O)[O-] 238327761 573268463 /nfs/dbraw/zinc/26/84/63/573268463.db2.gz IVUOFZWDTATQQZ-MRVPVSSYSA-N 0 0 193.246 1.974 10 0 ADAERN C[C@@H](CO)c1ccc2ncoc2c1 257986772 573268486 /nfs/dbraw/zinc/26/84/86/573268486.db2.gz KHKPULKLUFWOAZ-ZETCQYMHSA-N 0 0 177.203 1.924 10 0 ADAERN Cn1nncc1NCCOC(C)(C)C 308532813 573268496 /nfs/dbraw/zinc/26/84/96/573268496.db2.gz TYJOURCIECJTAW-UHFFFAOYSA-N 0 0 198.270 1.042 10 0 ADAERN CCCC(=O)CN(C)C[C@H]1CCCO1 50184192 573268504 /nfs/dbraw/zinc/26/85/04/573268504.db2.gz IXJYIRWVRGUBPV-LLVKDONJSA-N 0 0 199.294 1.466 10 0 ADAERN Cc1ccc(CN(C)CNN)c(C)c1 259061203 573268526 /nfs/dbraw/zinc/26/85/26/573268526.db2.gz KXDAEQBIRPGUBB-UHFFFAOYSA-N 0 0 193.294 1.156 10 0 ADAERN Cc1ccc2c(c1)O[C@H]([C@@H](C)O)C2 257986029 573268545 /nfs/dbraw/zinc/26/85/45/573268545.db2.gz HNEVBESYZRMNIW-SCZZXKLOSA-N 0 0 178.231 1.679 10 0 ADAERN C[C@@H]1CNC(=O)c2ccccc2O1 257986403 573268558 /nfs/dbraw/zinc/26/85/58/573268558.db2.gz KCFWYCPIIPKOPR-SSDOTTSWSA-N 0 0 177.203 1.197 10 0 ADAERN CC(C)C(=O)N1CCC[C@H](O)C1(C)C 259062749 573268570 /nfs/dbraw/zinc/26/85/70/573268570.db2.gz HPPCRWYNIXQOAW-VIFPVBQESA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)(O)c1nc(C2CCC2)c[nH]1 259062026 573268580 /nfs/dbraw/zinc/26/85/80/573268580.db2.gz JUJPAXLWARQUOQ-UHFFFAOYSA-N 0 0 180.251 1.905 10 0 ADAERN Cc1cccc(CCON)c1C 257986453 573268588 /nfs/dbraw/zinc/26/85/88/573268588.db2.gz KDBCKVOLCXCPAZ-UHFFFAOYSA-N 0 0 165.236 1.736 10 0 ADAERN COCOC(=O)c1cccc(N)c1F 308533122 573268602 /nfs/dbraw/zinc/26/86/02/573268602.db2.gz RDTUJNNYVMPTPQ-UHFFFAOYSA-N 0 0 199.181 1.169 10 0 ADAERN CCCC(=O)CN(C)C[C@@H]1CCCO1 50184191 573268608 /nfs/dbraw/zinc/26/86/08/573268608.db2.gz IXJYIRWVRGUBPV-NSHDSACASA-N 0 0 199.294 1.466 10 0 ADAERN C[C@H]1Cc2nc(N)sc2[C@@H](C)O1 116323419 573268620 /nfs/dbraw/zinc/26/86/20/573268620.db2.gz UFYIWZHJBCLUKF-CRCLSJGQSA-N 0 0 184.264 1.748 10 0 ADAERN COC(=O)[C@@]1(c2ccncc2)C[C@H]1C 259060466 573268630 /nfs/dbraw/zinc/26/86/30/573268630.db2.gz WQOYRKLEBJNVPI-KCJUWKMLSA-N 0 0 191.230 1.532 10 0 ADAERN C[C@@]1(COC(=O)C2CC2)CCOC1 393578972 573268643 /nfs/dbraw/zinc/26/86/43/573268643.db2.gz BAFVVNLJHDPEPH-SNVBAGLBSA-N 0 0 184.235 1.366 10 0 ADAERN C[C@H]1C(=O)Nc2cc(F)ccc2N1C 86159014 573268719 /nfs/dbraw/zinc/26/87/19/573268719.db2.gz YCFKQBWOVABYPV-LURJTMIESA-N 0 0 194.209 1.603 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@H](C)N2C 86158993 573268721 /nfs/dbraw/zinc/26/87/21/573268721.db2.gz RIOZGSWRXKIWDX-QMMMGPOBSA-N 0 0 190.246 1.772 10 0 ADAERN COC(=O)[C@]1(c2cc[nH]c2)C[C@H]1C 259062917 573268723 /nfs/dbraw/zinc/26/87/23/573268723.db2.gz WWHMTYOEXDAAHB-GMSGAONNSA-N 0 0 179.219 1.465 10 0 ADAERN CC(=O)C[C@H]1CNc2cccc(O)c21 258271636 573268751 /nfs/dbraw/zinc/26/87/51/573268751.db2.gz YZPGBZNDRNFWRR-QMMMGPOBSA-N 0 0 191.230 1.880 10 0 ADAERN CCOCc1cnsc1N 257985011 573268770 /nfs/dbraw/zinc/26/87/70/573268770.db2.gz XGSPWDMKLIOXAC-UHFFFAOYSA-N 0 0 158.226 1.262 10 0 ADAERN Cc1ccccc1C[C@]1(C)[NH2+]CCO1 258275706 573268802 /nfs/dbraw/zinc/26/88/02/573268802.db2.gz BLFWUPXTRUAZMB-GFCCVEGCSA-N 0 0 191.274 1.874 10 0 ADAERN C[C@]1(COC(=O)C2CC2)CCOC1 393578971 573268809 /nfs/dbraw/zinc/26/88/09/573268809.db2.gz BAFVVNLJHDPEPH-JTQLQIEISA-N 0 0 184.235 1.366 10 0 ADAERN CC1(C[C@](C)(C[NH3+])C(=O)[O-])CCC1 308339892 573268813 /nfs/dbraw/zinc/26/88/13/573268813.db2.gz QHOKEVDVNLGWDQ-SNVBAGLBSA-N 0 0 185.267 1.616 10 0 ADAERN C[C@]1(c2ccc(O)cc2)NCCC1=O 257985786 573268822 /nfs/dbraw/zinc/26/88/22/573268822.db2.gz AORAJNBERBGHCS-LLVKDONJSA-N 0 0 191.230 1.170 10 0 ADAERN Cc1nc([C@@H]2C[NH2+]CCO2)sc1C 82911404 573268830 /nfs/dbraw/zinc/26/88/30/573268830.db2.gz IIUMBKHQCMWUOZ-QMMMGPOBSA-N 0 0 198.291 1.421 10 0 ADAERN CO[C@@H]1C[C@H]1c1noc(N)c1C(C)C 689941435 573268838 /nfs/dbraw/zinc/26/88/38/573268838.db2.gz NHYINOBWCJJOIA-RNFRBKRXSA-N 0 0 196.250 1.883 10 0 ADAERN CC[C@H]1NC2(CCCCC2)NC1=O 142428803 573268858 /nfs/dbraw/zinc/26/88/58/573268858.db2.gz CETCJVTVQIDDQQ-MRVPVSSYSA-N 0 0 182.267 1.145 10 0 ADAERN CC(C)OCc1cnoc1N 257986829 573268859 /nfs/dbraw/zinc/26/88/59/573268859.db2.gz BNURWSNBXUINNU-UHFFFAOYSA-N 0 0 156.185 1.182 10 0 ADAERN [NH3+]CC1(c2cc(O)c(F)cc2F)CC1 258272796 573268882 /nfs/dbraw/zinc/26/88/82/573268882.db2.gz ZJHXNADSKZCODA-UHFFFAOYSA-N 0 0 199.200 1.661 10 0 ADAERN CNc1cc(N(C)C)nc(Cl)n1 238329264 573268912 /nfs/dbraw/zinc/26/89/12/573268912.db2.gz DYRBGVQNMGITJS-UHFFFAOYSA-N 0 0 186.646 1.238 10 0 ADAERN Cc1ccc(C=O)c(CNO)c1 257984950 573268927 /nfs/dbraw/zinc/26/89/27/573268927.db2.gz KBORQWYMSDWSKR-UHFFFAOYSA-N 0 0 165.192 1.286 10 0 ADAERN CC(=O)[C@H]1Cc2c(C)cccc2N1 258273939 573268941 /nfs/dbraw/zinc/26/89/41/573268941.db2.gz SVAOOJDOZSDBTP-LLVKDONJSA-N 0 0 175.231 1.921 10 0 ADAERN CC(C)C[C@@H](C[NH2+]C1CC1)C(=O)[O-] 258272290 573268953 /nfs/dbraw/zinc/26/89/53/573268953.db2.gz UTGQQPDJVMPUOI-QMMMGPOBSA-N 0 0 185.267 1.485 10 0 ADAERN Clc1ccnc(Cn2cccn2)c1 86130271 573268955 /nfs/dbraw/zinc/26/89/55/573268955.db2.gz PECTXWZZYAQQOQ-UHFFFAOYSA-N 0 0 193.637 1.980 10 0 ADAERN CC1(C[C@@](C)(C[NH3+])C(=O)[O-])CCC1 308339891 573268970 /nfs/dbraw/zinc/26/89/70/573268970.db2.gz QHOKEVDVNLGWDQ-JTQLQIEISA-N 0 0 185.267 1.616 10 0 ADAERN CC1(c2ccc3[nH]cnc3c2)COC1 259061965 573268976 /nfs/dbraw/zinc/26/89/76/573268976.db2.gz JRUVWSRBLZRXFY-UHFFFAOYSA-N 0 0 188.230 1.851 10 0 ADAERN CCc1cc(F)cc(C(=O)NC)c1N 238329499 573268981 /nfs/dbraw/zinc/26/89/81/573268981.db2.gz BUTPEACUKBUTGR-UHFFFAOYSA-N 0 0 196.225 1.330 10 0 ADAERN Nc1ccn(-c2cc3ccccc3[nH]2)n1 74238147 573268982 /nfs/dbraw/zinc/26/89/82/573268982.db2.gz QJAKSDBMWUDFMK-UHFFFAOYSA-N 0 0 198.229 1.936 10 0 ADAERN CN(C)c1ncc(Cl)o1 258489567 573268988 /nfs/dbraw/zinc/26/89/88/573268988.db2.gz JGXACJRGGMEKMF-UHFFFAOYSA-N 0 0 146.577 1.394 10 0 ADAERN C[C@@]1(C2CC2)CC(=O)NCCS1 142433440 573269032 /nfs/dbraw/zinc/26/90/32/573269032.db2.gz LWYODSOQPBWZFE-VIFPVBQESA-N 0 0 185.292 1.408 10 0 ADAERN C[C@@H](O)[C@H](F)c1cccc(O)c1 257986798 573269040 /nfs/dbraw/zinc/26/90/40/573269040.db2.gz BMTWJLYYGQZDSY-MUWHJKNJSA-N 0 0 170.183 1.784 10 0 ADAERN CCn1[nH]c(=O)cc1C1CCC1 257986819 573269055 /nfs/dbraw/zinc/26/90/55/573269055.db2.gz BNPMXSAHHIRMMO-UHFFFAOYSA-N 0 0 166.224 1.876 10 0 ADAERN CCOCc1nccc(C(C)=O)n1 308339890 573269073 /nfs/dbraw/zinc/26/90/73/573269073.db2.gz QHOBQBGKRKTWQZ-UHFFFAOYSA-N 0 0 180.207 1.216 10 0 ADAERN CCC(=O)COC[C@H]1CCOC1 50181637 573269128 /nfs/dbraw/zinc/26/91/28/573269128.db2.gz IZPBFNQLVSPHNE-QMMMGPOBSA-N 0 0 172.224 1.019 10 0 ADAERN NOC/C=C/c1ccco1 258617173 573269106 /nfs/dbraw/zinc/26/91/06/573269106.db2.gz PXBAQUZCJUVICZ-DUXPYHPUSA-N 0 0 139.154 1.183 10 0 ADAERN [NH3+]Cc1cc2ncc(Cl)nc2s1 82912240 573269130 /nfs/dbraw/zinc/26/91/30/573269130.db2.gz OEXPBOVPBPSCEH-UHFFFAOYSA-N 0 0 199.666 1.803 10 0 ADAERN OCc1cccc(-c2cnco2)n1 142487258 573270096 /nfs/dbraw/zinc/27/00/96/573270096.db2.gz ACQBDKHUVKRFMU-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C(=O)[O-])cc1F 238329399 573269295 /nfs/dbraw/zinc/26/92/95/573269295.db2.gz NMTSAXMKQAYHGQ-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN C[C@H]1CC(=O)Nc2c(F)cccc2N1 86158802 573269309 /nfs/dbraw/zinc/26/93/09/573269309.db2.gz XCYKGABJSFHMIM-LURJTMIESA-N 0 0 194.209 1.968 10 0 ADAERN Cc1cccc2c1C[C@H]([C@@H](C)O)N2C 257986907 573269351 /nfs/dbraw/zinc/26/93/51/573269351.db2.gz BCDGHCKKPXDXBY-BXKDBHETSA-N 0 0 191.274 1.737 10 0 ADAERN O=C1CCCCC(=O)CCC1 142470873 573269357 /nfs/dbraw/zinc/26/93/57/573269357.db2.gz PQOZOIXDFLJALL-UHFFFAOYSA-N 0 0 154.209 1.869 10 0 ADAERN COC(=O)[C@]1(c2ccncc2)C[C@@H]1C 259060462 573269361 /nfs/dbraw/zinc/26/93/61/573269361.db2.gz WQOYRKLEBJNVPI-GZMMTYOYSA-N 0 0 191.230 1.532 10 0 ADAERN COc1cc(F)cc(O)c1C[C@H](C)[NH3+] 258275395 573269398 /nfs/dbraw/zinc/26/93/98/573269398.db2.gz ZOKPYHOXNAHHPI-LURJTMIESA-N 0 0 199.225 1.430 10 0 ADAERN CCC(=O)COCCc1ccccn1 50181682 573269400 /nfs/dbraw/zinc/26/94/00/573269400.db2.gz MZEVXJBCIDCWOV-UHFFFAOYSA-N 0 0 193.246 1.620 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nnc(N)s1 123946151 573269403 /nfs/dbraw/zinc/26/94/03/573269403.db2.gz IHUZHOHZNKZBSL-RFZPGFLSSA-N 0 0 185.252 1.218 10 0 ADAERN Cc1cccc(Cn2cncn2)n1 86136681 573269404 /nfs/dbraw/zinc/26/94/04/573269404.db2.gz CYFABDYQTBXINM-UHFFFAOYSA-N 0 0 174.207 1.030 10 0 ADAERN COCc1nc2oc(C)c(N)c2s1 74238037 573269410 /nfs/dbraw/zinc/26/94/10/573269410.db2.gz MWFAKJKUGZZSFZ-UHFFFAOYSA-N 0 0 198.247 1.926 10 0 ADAERN COC(=O)C/C=C\C[NH+]1CCCC1 258269149 573269429 /nfs/dbraw/zinc/26/94/29/573269429.db2.gz RTZDSLZCLKNYRI-IHWYPQMZSA-N 0 0 183.251 1.202 10 0 ADAERN CC(C)OCC/C=C/CO 142445231 573269445 /nfs/dbraw/zinc/26/94/45/573269445.db2.gz UDYWZPPVXKBURP-ONEGZZNKSA-N 0 0 144.214 1.350 10 0 ADAERN COC(=O)[C@]1(C2CCC2)C[C@H]1C 259060333 573269476 /nfs/dbraw/zinc/26/94/76/573269476.db2.gz WPRXCKYCFVBBKP-GMSGAONNSA-N 0 0 168.236 1.986 10 0 ADAERN O=c1ccn(Cc2ccoc2)cc1 123942567 573269480 /nfs/dbraw/zinc/26/94/80/573269480.db2.gz LIWFSKDSCCYSCD-UHFFFAOYSA-N 0 0 175.187 1.490 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@@H](C)N2C 86158994 573269492 /nfs/dbraw/zinc/26/94/92/573269492.db2.gz RIOZGSWRXKIWDX-MRVPVSSYSA-N 0 0 190.246 1.772 10 0 ADAERN CCC1=N[C@@H]2CC[C@H](O)C[C@@H]2O1 257986380 573269498 /nfs/dbraw/zinc/26/94/98/573269498.db2.gz NWTXBXKLNAMVPQ-RNJXMRFFSA-N 0 0 169.224 1.107 10 0 ADAERN C[C@H]1CNc2cc(F)ccc2NC1=O 86159040 573269565 /nfs/dbraw/zinc/26/95/65/573269565.db2.gz MOCWEHIXLLIJKD-LURJTMIESA-N 0 0 194.209 1.826 10 0 ADAERN CCC(=O)CN(C)C[C@@H]1CCCO1 50179941 573269586 /nfs/dbraw/zinc/26/95/86/573269586.db2.gz LEQMMVLLPRTJDV-JTQLQIEISA-N 0 0 185.267 1.076 10 0 ADAERN CN1CCCC[C@H]1c1ncc(C[NH3+])o1 258270919 573270117 /nfs/dbraw/zinc/27/01/17/573270117.db2.gz XVBVPQNMLWNUPT-VIFPVBQESA-N 0 0 195.266 1.290 10 0 ADAERN C[C@H](O)[C@@H](F)c1cccc(O)c1 257986796 573269602 /nfs/dbraw/zinc/26/96/02/573269602.db2.gz BMTWJLYYGQZDSY-IMTBSYHQSA-N 0 0 170.183 1.784 10 0 ADAERN C[C@H]1CC(=O)Nc2ccc(F)cc2N1 86158808 573269609 /nfs/dbraw/zinc/26/96/09/573269609.db2.gz NXTUUKAABQENSG-LURJTMIESA-N 0 0 194.209 1.968 10 0 ADAERN CC(C)NC(=O)c1ccc(N)o1 105515400 573269612 /nfs/dbraw/zinc/26/96/12/573269612.db2.gz UVAPYLILMRNLBF-UHFFFAOYSA-N 0 0 168.196 1.000 10 0 ADAERN CC[C@H](C)NC(=O)c1ccc(N)o1 105515353 573269640 /nfs/dbraw/zinc/26/96/40/573269640.db2.gz LZDIEGCOEJNRMK-LURJTMIESA-N 0 0 182.223 1.390 10 0 ADAERN CC[N@@H+]1CCCC[C@H]1/C=C\CC(=O)[O-] 258271331 573269648 /nfs/dbraw/zinc/26/96/48/573269648.db2.gz RWWXBNWZQZARAA-BXKUYDPTSA-N 0 0 197.278 1.892 10 0 ADAERN COc1cc(F)cc(O)c1C[C@@H](C)[NH3+] 258275398 573269657 /nfs/dbraw/zinc/26/96/57/573269657.db2.gz ZOKPYHOXNAHHPI-ZCFIWIBFSA-N 0 0 199.225 1.430 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](c2cscn2)[NH2+]1 74238092 573269676 /nfs/dbraw/zinc/26/96/76/573269676.db2.gz NKEMLYYZSVHMBE-RITPCOANSA-N 0 0 198.247 1.021 10 0 ADAERN C[N@H+](CC1(C(=O)[O-])CCC1)C1CCC1 259061860 573269702 /nfs/dbraw/zinc/26/97/02/573269702.db2.gz SYDSCRMGHUGNEX-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CCC(=O)CN(C)C[C@@H]1CCCCO1 50179945 573269708 /nfs/dbraw/zinc/26/97/08/573269708.db2.gz NRNFJLAPYCVYJX-NSHDSACASA-N 0 0 199.294 1.466 10 0 ADAERN Cc1ccc(C(C)(C)CO)cc1O 257986745 573269710 /nfs/dbraw/zinc/26/97/10/573269710.db2.gz KGXIYVCBHNZPRS-UHFFFAOYSA-N 0 0 180.247 1.971 10 0 ADAERN CO[C@@H]1CCc2cccc(=O)cc21 238329703 573269713 /nfs/dbraw/zinc/26/97/13/573269713.db2.gz RPHIWFOXJNYCAG-LLVKDONJSA-N 0 0 176.215 1.681 10 0 ADAERN C[C@]1(C[C@H]2CCCS2)[NH2+]CCO1 258269117 573269721 /nfs/dbraw/zinc/26/97/21/573269721.db2.gz BEYITKXWLJKSBB-BDAKNGLRSA-N 0 0 187.308 1.608 10 0 ADAERN CC(C)(O)c1ccc(F)cn1 116385507 573269727 /nfs/dbraw/zinc/26/97/27/573269727.db2.gz RXAPVYPRJHDQPP-UHFFFAOYSA-N 0 0 155.172 1.448 10 0 ADAERN Fc1ccc(OCC2COC2)cc1 259060095 573269745 /nfs/dbraw/zinc/26/97/45/573269745.db2.gz NFIIPUQFQPDCDY-UHFFFAOYSA-N 0 0 182.194 1.851 10 0 ADAERN O=c1[nH]cc2c(Cl)cccn12 257986773 573269750 /nfs/dbraw/zinc/26/97/50/573269750.db2.gz BMGMVBUNQBZETL-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN Cc1cccc2c1C[C@H]([C@H](C)O)N2C 257986912 573269755 /nfs/dbraw/zinc/26/97/55/573269755.db2.gz BCDGHCKKPXDXBY-JOYOIKCWSA-N 0 0 191.274 1.737 10 0 ADAERN CC(C)=C1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 142487073 573269772 /nfs/dbraw/zinc/26/97/72/573269772.db2.gz YZUGWVNHVJNHAS-DTORHVGOSA-N 0 0 193.246 1.348 10 0 ADAERN COC(=O)[C@@H](CSC)C1CCC1 258273438 573269775 /nfs/dbraw/zinc/26/97/75/573269775.db2.gz MXBAJXRRRVLUHY-QMMMGPOBSA-N 0 0 188.292 1.939 10 0 ADAERN C=C1N=C(c2ccccc2)N=C1CO 142493434 573269784 /nfs/dbraw/zinc/26/97/84/573269784.db2.gz KXKVVKMADLTVSK-UHFFFAOYSA-N 0 0 186.214 1.394 10 0 ADAERN C[C@@H]1C(=O)Nc2c(F)cccc2N1C 86159003 573269787 /nfs/dbraw/zinc/26/97/87/573269787.db2.gz FLDJYKIPZAXVBU-ZCFIWIBFSA-N 0 0 194.209 1.603 10 0 ADAERN C[C@@H]1CNc2cccc(F)c2NC1=O 86159033 573269795 /nfs/dbraw/zinc/26/97/95/573269795.db2.gz AVOOUHZRBLFUKW-ZCFIWIBFSA-N 0 0 194.209 1.826 10 0 ADAERN COC(=O)c1ccc(/C=C\[C@@H](C)O)o1 308337621 573269802 /nfs/dbraw/zinc/26/98/02/573269802.db2.gz FSWUZDWFZLAIJG-KFOINNEUSA-N 0 0 196.202 1.460 10 0 ADAERN O=C(CO)c1scc2c1CCCC2 82909389 573269826 /nfs/dbraw/zinc/26/98/26/573269826.db2.gz UPQASBSTYCOZKX-UHFFFAOYSA-N 0 0 196.271 1.802 10 0 ADAERN CCC1=N[C@@H]2CC[C@@H](O)C[C@@H]2S1 257986311 573269829 /nfs/dbraw/zinc/26/98/29/573269829.db2.gz NWMLHQOCRULCBL-PRJMDXOYSA-N 0 0 185.292 1.824 10 0 ADAERN O=Cc1coc(-c2ccc(O)cc2)n1 257985186 573269840 /nfs/dbraw/zinc/26/98/40/573269840.db2.gz HRVRWUINMPRCBM-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN COC(=O)[C@H](CSC)C1CCC1 258273436 573269843 /nfs/dbraw/zinc/26/98/43/573269843.db2.gz MXBAJXRRRVLUHY-MRVPVSSYSA-N 0 0 188.292 1.939 10 0 ADAERN C[C@]1(N2CCC(=O)CC2)CCCOC1 235750987 573269850 /nfs/dbraw/zinc/26/98/50/573269850.db2.gz FDDJHCHNLDGQKO-NSHDSACASA-N 0 0 197.278 1.220 10 0 ADAERN COC[C@H](CC(C)(C)C)C(=O)OC 257985755 573269858 /nfs/dbraw/zinc/26/98/58/573269858.db2.gz CVETXGCPJDPEJG-QMMMGPOBSA-N 0 0 188.267 1.858 10 0 ADAERN CCC(=O)COC[C@@H]1CCCO1 50181108 573269865 /nfs/dbraw/zinc/26/98/65/573269865.db2.gz YPWZIQCCRCXGGR-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CCC1=N[C@@H]2CC[C@H](O)C[C@@H]2S1 257986316 573269866 /nfs/dbraw/zinc/26/98/66/573269866.db2.gz NWMLHQOCRULCBL-RNJXMRFFSA-N 0 0 185.292 1.824 10 0 ADAERN CO[C@@H]1CC[C@@H]2C(=O)CC[C@H]21 238329350 573269876 /nfs/dbraw/zinc/26/98/76/573269876.db2.gz QYDVZEULDYNGPL-LKEWCRSYSA-N 0 0 154.209 1.391 10 0 ADAERN CCc1cc(F)cc(C(N)=O)c1N 238329539 573269885 /nfs/dbraw/zinc/26/98/85/573269885.db2.gz HEZJHPNQESYXKH-UHFFFAOYSA-N 0 0 182.198 1.069 10 0 ADAERN Cc1ccc2c(c1)O[C@@H](CCO)C2 258269512 573269916 /nfs/dbraw/zinc/26/99/16/573269916.db2.gz YXZTZQJHHBWQPE-JTQLQIEISA-N 0 0 178.231 1.681 10 0 ADAERN CCc1cc(F)cc(C=O)c1O 238329597 573269926 /nfs/dbraw/zinc/26/99/26/573269926.db2.gz SKNRHXCBDLXRFJ-UHFFFAOYSA-N 0 0 168.167 1.906 10 0 ADAERN C[C@H]1CNc2cccc(F)c2NC1=O 86159034 573269944 /nfs/dbraw/zinc/26/99/44/573269944.db2.gz AVOOUHZRBLFUKW-LURJTMIESA-N 0 0 194.209 1.826 10 0 ADAERN CN1CC(C(N)=O)=Cc2ccccc21 238329235 573269946 /nfs/dbraw/zinc/26/99/46/573269946.db2.gz LPHPQRBLPOZABA-UHFFFAOYSA-N 0 0 188.230 1.005 10 0 ADAERN C[C@@H](O)CCCC(=O)NC(C)(C)C 308338957 573269979 /nfs/dbraw/zinc/26/99/79/573269979.db2.gz PUQGXMGUVWKWGO-MRVPVSSYSA-N 0 0 187.283 1.452 10 0 ADAERN CCc1nnc2cc(OC)ccn12 258271959 573269980 /nfs/dbraw/zinc/26/99/80/573269980.db2.gz NFNFTELORUOUKN-UHFFFAOYSA-N 0 0 177.207 1.300 10 0 ADAERN COCc1ccc(C)c(O)c1 142439711 573269992 /nfs/dbraw/zinc/26/99/92/573269992.db2.gz AXBUIFCBKOXXAH-UHFFFAOYSA-N 0 0 152.193 1.847 10 0 ADAERN COc1cccc2c1C[C@@H](CCO)O2 258270893 573270000 /nfs/dbraw/zinc/27/00/00/573270000.db2.gz SMOXHGIQOYUDSE-MRVPVSSYSA-N 0 0 194.230 1.381 10 0 ADAERN CC(C)SC(=N)NC(=O)N(C)C 142492519 573270009 /nfs/dbraw/zinc/27/00/09/573270009.db2.gz VNAZMUIDGBMBLH-UHFFFAOYSA-N 0 0 189.284 1.334 10 0 ADAERN CN1CC(=O)Nc2ccc(F)c(F)c21 86158691 573270053 /nfs/dbraw/zinc/27/00/53/573270053.db2.gz PYQUPZGKVRSIDP-UHFFFAOYSA-N 0 0 198.172 1.353 10 0 ADAERN C[C@H](O)[C@H](F)c1cccc(O)c1 257986801 573270073 /nfs/dbraw/zinc/27/00/73/573270073.db2.gz BMTWJLYYGQZDSY-RCOVLWMOSA-N 0 0 170.183 1.784 10 0 ADAERN Cc1cccc(Cn2ccc(C)n2)n1 86136682 573270076 /nfs/dbraw/zinc/27/00/76/573270076.db2.gz SZVZMESUEDFUBL-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN CNCC(=O)OCCCC(C)(C)C 308338780 573270085 /nfs/dbraw/zinc/27/00/85/573270085.db2.gz PQTPVQLBFKXHSY-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN CCOC(=O)[C@@]1(NC2CC2)CC[C@@H]1C 308532734 573270086 /nfs/dbraw/zinc/27/00/86/573270086.db2.gz LHWUPQDQHBOYGU-GZMMTYOYSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ccc2c(c1)O[C@H]([C@H](C)O)C2 257986034 573270101 /nfs/dbraw/zinc/27/01/01/573270101.db2.gz HNEVBESYZRMNIW-WPRPVWTQSA-N 0 0 178.231 1.679 10 0 ADAERN COC[C@@H]1CCCCC12OCCO2 238330128 573270165 /nfs/dbraw/zinc/27/01/65/573270165.db2.gz QOPSSKFBLLOAJV-VIFPVBQESA-N 0 0 186.251 1.566 10 0 ADAERN COc1cccc2c1C[C@H](CCO)O2 258270896 573270169 /nfs/dbraw/zinc/27/01/69/573270169.db2.gz SMOXHGIQOYUDSE-QMMMGPOBSA-N 0 0 194.230 1.381 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@@H](C)CN2 86159024 573270176 /nfs/dbraw/zinc/27/01/76/573270176.db2.gz ICOCVRYNJSNHDH-QMMMGPOBSA-N 0 0 190.246 1.995 10 0 ADAERN COC(=O)C/C=C\[C@H]1CCCO1 258269074 573270647 /nfs/dbraw/zinc/27/06/47/573270647.db2.gz RSFHTBWBTHSMHJ-LTMVXPGCSA-N 0 0 170.208 1.285 10 0 ADAERN CC(C)[C@@H](C)CC(=O)OC1COC1 308338821 573270492 /nfs/dbraw/zinc/27/04/92/573270492.db2.gz PRZZAVSXGODOGJ-QMMMGPOBSA-N 0 0 186.251 1.611 10 0 ADAERN CCC(=O)COCCCOC 50181542 573270498 /nfs/dbraw/zinc/27/04/98/573270498.db2.gz NPDULPCKTMBJLG-UHFFFAOYSA-N 0 0 160.213 1.019 10 0 ADAERN COc1ccnc2c1CCC[C@@H]2O 142449799 573270500 /nfs/dbraw/zinc/27/05/00/573270500.db2.gz QJCYADQSMDKWGM-QMMMGPOBSA-N 0 0 179.219 1.460 10 0 ADAERN Cc1nc2c(=S)[nH]cnc2n1C 142444935 573270546 /nfs/dbraw/zinc/27/05/46/573270546.db2.gz WRLPQFBXZXVGGM-UHFFFAOYSA-N 0 0 180.236 1.334 10 0 ADAERN CCC[C@H]1CCN[C@@](C)(C(=O)OC)C1 258615548 573270554 /nfs/dbraw/zinc/27/05/54/573270554.db2.gz UIETVGHVMTULLU-GXSJLCMTSA-N 0 0 199.294 1.718 10 0 ADAERN CO[C@@H]1CC[C@H](O)C12CCCC2 238328885 573270570 /nfs/dbraw/zinc/27/05/70/573270570.db2.gz SPQFOMNDJZDPBN-DTWKUNHWSA-N 0 0 170.252 1.717 10 0 ADAERN COC[C@@H]1C(=O)N(C)c2ccccc21 238329701 573270585 /nfs/dbraw/zinc/27/05/85/573270585.db2.gz RSRIYLPOIFAJRP-VIFPVBQESA-N 0 0 191.230 1.393 10 0 ADAERN C[C@H]1CC(=O)Nc2cc(F)ccc2N1 86158810 573270595 /nfs/dbraw/zinc/27/05/95/573270595.db2.gz FDLVFVYWOIOQSU-LURJTMIESA-N 0 0 194.209 1.968 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(C)ccc2N1C 258269428 573270598 /nfs/dbraw/zinc/27/05/98/573270598.db2.gz YXJRLIDYUGKCJT-LBPRGKRZSA-N 0 0 189.258 1.945 10 0 ADAERN Clc1ccnc(Cn2cncn2)c1 86130273 573270603 /nfs/dbraw/zinc/27/06/03/573270603.db2.gz NOMOELCROYZOIS-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN Cc1cccc2c1C[C@H](CCO)O2 258273736 573270604 /nfs/dbraw/zinc/27/06/04/573270604.db2.gz SSHBKDXFSAUNLF-VIFPVBQESA-N 0 0 178.231 1.681 10 0 ADAERN CCC[C@H]1CCN[C@](C)(C(=O)OC)C1 258615558 573270605 /nfs/dbraw/zinc/27/06/05/573270605.db2.gz UIETVGHVMTULLU-ONGXEEELSA-N 0 0 199.294 1.718 10 0 ADAERN Cc1n[nH]cc1-c1onc(Cl)c1N 74236544 573270609 /nfs/dbraw/zinc/27/06/09/573270609.db2.gz XCUAQRBFJJALPS-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN CCC(=O)CN(C)C[C@H]1CCCO1 50179942 573270613 /nfs/dbraw/zinc/27/06/13/573270613.db2.gz LEQMMVLLPRTJDV-SNVBAGLBSA-N 0 0 185.267 1.076 10 0 ADAERN Cc1cccc(-n2[nH]c(N)cc2=O)c1 105698976 573270614 /nfs/dbraw/zinc/27/06/14/573270614.db2.gz PESATTRNUKZMIF-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CNc1cc(F)cnc1C 238329035 573270616 /nfs/dbraw/zinc/27/06/16/573270616.db2.gz KOZZMDBADMCRKM-UHFFFAOYSA-N 0 0 140.161 1.571 10 0 ADAERN NNc1ccnc(COC2CCC2)c1 86135620 573272622 /nfs/dbraw/zinc/27/26/22/573272622.db2.gz SCYBGWOXMRPKCO-UHFFFAOYSA-N 0 0 193.250 1.436 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@H](C)CN2 86159023 573272634 /nfs/dbraw/zinc/27/26/34/573272634.db2.gz ICOCVRYNJSNHDH-MRVPVSSYSA-N 0 0 190.246 1.995 10 0 ADAERN CO[C@@H]1CC[C@H](O)[C@@H](C)C1 238328936 573272643 /nfs/dbraw/zinc/27/26/43/573272643.db2.gz NICRGUDKRKGQHQ-RNJXMRFFSA-N 0 0 144.214 1.182 10 0 ADAERN CCCN1C(=O)CN(C(C)(C)C)C1=O 86137669 573272644 /nfs/dbraw/zinc/27/26/44/573272644.db2.gz ZVNISGQCUJSJCV-UHFFFAOYSA-N 0 0 198.266 1.459 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C(=O)[O-])cn1 238329418 573272649 /nfs/dbraw/zinc/27/26/49/573272649.db2.gz SAHVNPWURQUKRA-LURJTMIESA-N 0 0 180.207 1.060 10 0 ADAERN CC(C)[C@@]1(O)CC[C@H](C)OC1 401957609 573272658 /nfs/dbraw/zinc/27/26/58/573272658.db2.gz QJEZCHYDSUPTMM-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H]1C[NH2+][C@](C)(c2ccncc2)OC1 258269031 573272663 /nfs/dbraw/zinc/27/26/63/573272663.db2.gz BEVJZEUNPCOPON-KOLCDFICSA-N 0 0 192.262 1.510 10 0 ADAERN CSc1ccc(C)c(O)c1CON 257987812 573272680 /nfs/dbraw/zinc/27/26/80/573272680.db2.gz BBGPTEDNCHAJTR-UHFFFAOYSA-N 0 0 199.275 1.813 10 0 ADAERN CSCC1=CS(=O)(=O)C(C)=N1 258270865 573272454 /nfs/dbraw/zinc/27/24/54/573272454.db2.gz SLZXQAZGDDRKMN-UHFFFAOYSA-N 0 0 191.277 1.038 10 0 ADAERN Cn1oc2ccccc2c1=O 142438065 573272465 /nfs/dbraw/zinc/27/24/65/573272465.db2.gz XWDUHKVLHMIYJP-UHFFFAOYSA-N 0 0 149.149 1.132 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)OCC1CC1 308338124 573272501 /nfs/dbraw/zinc/27/25/01/573272501.db2.gz PDLQGZHYEXTNBR-CBAPKCEASA-N 0 0 183.251 1.779 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C(=O)[O-])c(F)c1 238329346 573272543 /nfs/dbraw/zinc/27/25/43/573272543.db2.gz QJKCYLLMKWGRIU-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN C[C@H]1C[NH2+][C@](C)(c2ccncc2)OC1 258269051 573272559 /nfs/dbraw/zinc/27/25/59/573272559.db2.gz BEVJZEUNPCOPON-ONGXEEELSA-N 0 0 192.262 1.510 10 0 ADAERN C[C@@H]1CNc2cc(F)ccc2NC1=O 86159039 573272565 /nfs/dbraw/zinc/27/25/65/573272565.db2.gz MOCWEHIXLLIJKD-ZCFIWIBFSA-N 0 0 194.209 1.826 10 0 ADAERN [NH3+]CC1=NC[C@@H](c2ccccc2F)O1 258269968 573272592 /nfs/dbraw/zinc/27/25/92/573272592.db2.gz QXGUWORSCLPODM-VIFPVBQESA-N 0 0 194.209 1.254 10 0 ADAERN COc1ccnc2c1CCC[C@H]2O 142449996 573272597 /nfs/dbraw/zinc/27/25/97/573272597.db2.gz QJCYADQSMDKWGM-MRVPVSSYSA-N 0 0 179.219 1.460 10 0 ADAERN CC[C@@H]1NC2(CCCCC2)NC1=O 142428571 573272787 /nfs/dbraw/zinc/27/27/87/573272787.db2.gz CETCJVTVQIDDQQ-QMMMGPOBSA-N 0 0 182.267 1.145 10 0 ADAERN CC(C)(O)c1cc(Cl)ccn1 116385146 573272697 /nfs/dbraw/zinc/27/26/97/573272697.db2.gz XCKHPYOSLVIIBZ-UHFFFAOYSA-N 0 0 171.627 1.962 10 0 ADAERN Cc1nc(-c2nsc(N)n2)cs1 74237443 573272702 /nfs/dbraw/zinc/27/27/02/573272702.db2.gz NVFRDAPJRZRDIG-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Cc1ccc(C2=N[C@@H](C[NH3+])CO2)cc1 258272776 573272717 /nfs/dbraw/zinc/27/27/17/573272717.db2.gz RBVASTYWXNXDRU-JTQLQIEISA-N 0 0 190.246 1.099 10 0 ADAERN CCCn1cccc1/C=C\CO 211937195 573272721 /nfs/dbraw/zinc/27/27/21/573272721.db2.gz UHENOKYKTVQZOB-XQRVVYSFSA-N 0 0 165.236 1.904 10 0 ADAERN CC(C)COCc1cc(NN)ccn1 86135664 573272776 /nfs/dbraw/zinc/27/27/76/573272776.db2.gz AIRVRLXFEDOXKH-UHFFFAOYSA-N 0 0 195.266 1.540 10 0 ADAERN Cc1cccc(Cn2cccn2)n1 86136679 573272768 /nfs/dbraw/zinc/27/27/68/573272768.db2.gz RBTJPCUXMAMRHH-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN Cc1nc(-c2nc(N)ns2)cs1 74237429 573272771 /nfs/dbraw/zinc/27/27/71/573272771.db2.gz FASRMZSNKHCHJX-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN CC(C)(O)c1ccc2nnsc2c1 257989354 573272772 /nfs/dbraw/zinc/27/27/72/573272772.db2.gz FMHSCZIUXLEWHQ-UHFFFAOYSA-N 0 0 194.259 1.919 10 0 ADAERN CCc1cc(F)cnc1C(=O)OC 238331514 573275357 /nfs/dbraw/zinc/27/53/57/573275357.db2.gz NCVODUCCFBZRIN-UHFFFAOYSA-N 0 0 183.182 1.570 10 0 ADAERN C[C@H](O)/C=C/C/C=C/CCO 238433066 573275358 /nfs/dbraw/zinc/27/53/58/573275358.db2.gz NKGMNQKOSAUZIO-GNOBOIHQSA-N 0 0 156.225 1.252 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)Cc1ccsc1 690034409 573278780 /nfs/dbraw/zinc/27/87/80/573278780.db2.gz RPJODYJDIIFOBM-KXUCPTDWSA-N 0 0 198.287 1.686 10 0 ADAERN C[C@@H]1CC(=O)C[C@@H](c2cscn2)N1 74241546 573275129 /nfs/dbraw/zinc/27/51/29/573275129.db2.gz MLTGUAMIKKVWFC-SVRRBLITSA-N 0 0 196.275 1.525 10 0 ADAERN Cn1cnc2ccc(C3(O)CC3)cc21 257987007 573274928 /nfs/dbraw/zinc/27/49/28/573274928.db2.gz FFVDVXCUDXHRBA-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN COc1cc(CON)c(F)cc1C 257986928 573274953 /nfs/dbraw/zinc/27/49/53/573274953.db2.gz FCWUZJTXIUUCJY-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN C/C=C\C(=O)N1CC[C@H](C)[C@H](F)C1 393559025 573274963 /nfs/dbraw/zinc/27/49/63/573274963.db2.gz WGOOFPAIDAYLCH-HNRDENNGSA-N 0 0 185.242 1.769 10 0 ADAERN CCC(=O)CN(C)Cc1ccoc1C 50180539 573274973 /nfs/dbraw/zinc/27/49/73/573274973.db2.gz RDLPXHWCJDYDTB-UHFFFAOYSA-N 0 0 195.262 1.999 10 0 ADAERN COC[C@@H]1CCCC[C@H]1NC(C)=O 238330348 573274986 /nfs/dbraw/zinc/27/49/86/573274986.db2.gz SKWNIBCMENLIJX-VHSXEESVSA-N 0 0 185.267 1.328 10 0 ADAERN Cc1c(F)ccc2c1NC(=O)[C@H]2O 105585884 573274991 /nfs/dbraw/zinc/27/49/91/573274991.db2.gz BDFMESLLORZIMV-QMMMGPOBSA-N 0 0 181.166 1.120 10 0 ADAERN CC[C@@H](C)[C@@H](O)C[C@@H](C)O 142497697 573275000 /nfs/dbraw/zinc/27/50/00/573275000.db2.gz FNWJZNQLNMUDGE-PRJMDXOYSA-N 0 0 146.230 1.164 10 0 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180.251 1.644 10 0 ADAERN CCC(=O)COCC(F)(F)F 50181192 573275060 /nfs/dbraw/zinc/27/50/60/573275060.db2.gz NRHNWYBDSYRYFE-UHFFFAOYSA-N 0 0 170.130 1.544 10 0 ADAERN CCCCC(=O)c1cncn1C 126036834 573275071 /nfs/dbraw/zinc/27/50/71/573275071.db2.gz SRIVPQCVUDPLQS-UHFFFAOYSA-N 0 0 166.224 1.793 10 0 ADAERN C[C@@H](CO)c1cccc(NC(N)=O)c1 257986994 573275187 /nfs/dbraw/zinc/27/51/87/573275187.db2.gz FFBXGTCLJDSGOR-ZETCQYMHSA-N 0 0 194.234 1.273 10 0 ADAERN COC(=O)[C@@H](O)c1cccc(F)c1C 257986967 573275218 /nfs/dbraw/zinc/27/52/18/573275218.db2.gz FECFWYDKFUZVID-VIFPVBQESA-N 0 0 198.193 1.341 10 0 ADAERN CCn1c(N)nc2cc(C)cnc21 86160731 573275230 /nfs/dbraw/zinc/27/52/30/573275230.db2.gz HEYPKOZJJIPZRH-UHFFFAOYSA-N 0 0 176.223 1.342 10 0 ADAERN COCCC1=C(C)CCC[C@H]1O 238330658 573275246 /nfs/dbraw/zinc/27/52/46/573275246.db2.gz AOVQKYFPMDGNIZ-SNVBAGLBSA-N 0 0 170.252 1.884 10 0 ADAERN O=C([O-])CC[C@@H](C1CC1)[NH+]1CCCC1 74239438 573275431 /nfs/dbraw/zinc/27/54/31/573275431.db2.gz 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/nfs/dbraw/zinc/28/13/93/573281393.db2.gz BHCWMJVPMPHAAJ-VXNVDRBHSA-N 0 0 180.251 1.295 10 0 ADAERN CCC(=O)COc1cccc(C=O)c1 50181928 573281429 /nfs/dbraw/zinc/28/14/29/573281429.db2.gz OUNKORFQHKJTKK-UHFFFAOYSA-N 0 0 192.214 1.857 10 0 ADAERN CC[C@@H](COC)[C@H](O)CC 86166746 573281450 /nfs/dbraw/zinc/28/14/50/573281450.db2.gz UIFVDYUHGMUVGN-JGVFFNPUSA-N 0 0 146.230 1.430 10 0 ADAERN CO[C@H]1CC(=O)[C@H](C(C)C)C1 238331726 573281452 /nfs/dbraw/zinc/28/14/52/573281452.db2.gz DRBUVNZOBSILDQ-SFYZADRCSA-N 0 0 156.225 1.637 10 0 ADAERN O=c1sccn1Cc1cncs1 123962135 573283498 /nfs/dbraw/zinc/28/34/98/573283498.db2.gz XLFHZLRRYFIIPF-UHFFFAOYSA-N 0 0 198.272 1.415 10 0 ADAERN O[C@@H]([C@H](F)C(F)F)C(F)(F)F 116455090 573283023 /nfs/dbraw/zinc/28/30/23/573283023.db2.gz XPRHZKIPOUDNSC-LWMBPPNESA-N 0 0 182.063 1.513 10 0 ADAERN C[C@H](O)c1n[nH]nc1-c1ccccc1 258490231 573283510 /nfs/dbraw/zinc/28/35/10/573283510.db2.gz FNTLHCKUYCNAPO-ZETCQYMHSA-N 0 0 189.218 1.525 10 0 ADAERN Nc1ccccc1C(=O)c1cncnc1 82924873 573282042 /nfs/dbraw/zinc/28/20/42/573282042.db2.gz BDXOYUPTLQYANW-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN CNn1cc(-c2ccccc2)nc1N 238331703 573282046 /nfs/dbraw/zinc/28/20/46/573282046.db2.gz OTZCLJJXGYJBQZ-UHFFFAOYSA-N 0 0 188.234 1.306 10 0 ADAERN CCC1([C@H]2NNC(=O)[C@@H]2C)CCC1 686135263 573282068 /nfs/dbraw/zinc/28/20/68/573282068.db2.gz FMJQGQOCTQCVEQ-SFYZADRCSA-N 0 0 182.267 1.206 10 0 ADAERN CNC(=O)[C@H]1[C@@H](C)CC=CC1(C)C 238332345 573282141 /nfs/dbraw/zinc/28/21/41/573282141.db2.gz LVWUXMYODLSOIR-DTWKUNHWSA-N 0 0 181.279 1.971 10 0 ADAERN CN(C)c1ccc2cnncc2c1 238331773 573282153 /nfs/dbraw/zinc/28/21/53/573282153.db2.gz DHHATDKSLONVJM-UHFFFAOYSA-N 0 0 173.219 1.696 10 0 ADAERN Cc1cc([C@H]2C[NH2+][C@@H](C(=O)[O-])C2)co1 74245252 573282156 /nfs/dbraw/zinc/28/21/56/573282156.db2.gz OTWLSMRUZYJSMJ-VXNVDRBHSA-N 0 0 195.218 1.118 10 0 ADAERN CCn1c([C@H]2CCCO2)n[nH]c1=S 116477222 573282169 /nfs/dbraw/zinc/28/21/69/573282169.db2.gz FZLITTMMVHAXND-ZCFIWIBFSA-N 0 0 199.279 1.812 10 0 ADAERN c1nc2c(s1)CCCN2 105728663 573282194 /nfs/dbraw/zinc/28/21/94/573282194.db2.gz MGHJFTPTIWYTDZ-UHFFFAOYSA-N 0 0 140.211 1.501 10 0 ADAERN Cn1cc(C[C@H](O)[C@H]2CC2(C)C)cn1 236081973 573282222 /nfs/dbraw/zinc/28/22/22/573282222.db2.gz AIMSQUWQDPNWGN-ZJUUUORDSA-N 0 0 194.278 1.370 10 0 ADAERN CNC(=O)[C@H]1[C@H](C)CC=CC1(C)C 238332515 573282272 /nfs/dbraw/zinc/28/22/72/573282272.db2.gz LVWUXMYODLSOIR-RKDXNWHRSA-N 0 0 181.279 1.971 10 0 ADAERN CC(C)[C@@]1(C)CC(=O)NC(=O)[C@@H]1C 86190741 573286893 /nfs/dbraw/zinc/28/68/93/573286893.db2.gz PTILDLDYWAIAGH-OIBJUYFYSA-N 0 0 183.251 1.331 10 0 ADAERN Cc1nc(-c2cnc(CN)o2)cs1 74244461 573282302 /nfs/dbraw/zinc/28/23/02/573282302.db2.gz XFATYKMZZIAKPN-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN CN[C@@H](N)c1cc(F)ccc1F 259402136 573282349 /nfs/dbraw/zinc/28/23/49/573282349.db2.gz ODBUSTLZAZDEAF-MRVPVSSYSA-N 0 0 172.178 1.142 10 0 ADAERN CCCC(C)(C)CNC(=O)CC(C)=O 259066198 573282328 /nfs/dbraw/zinc/28/23/28/573282328.db2.gz WUIJZYDZUPBVBS-UHFFFAOYSA-N 0 0 199.294 1.908 10 0 ADAERN CC[C@H](O)[C@@H](CC)COC 86166750 573282369 /nfs/dbraw/zinc/28/23/69/573282369.db2.gz UIFVDYUHGMUVGN-YUMQZZPRSA-N 0 0 146.230 1.430 10 0 ADAERN Cc1sccc1[C@H]1COC[C@@H]1O 687969061 573282374 /nfs/dbraw/zinc/28/23/74/573282374.db2.gz FZGKMQLKDMRJSH-BDAKNGLRSA-N 0 0 184.260 1.531 10 0 ADAERN Nc1ccccc1C(=O)[C@@H]1CCOC1 82924864 573282379 /nfs/dbraw/zinc/28/23/79/573282379.db2.gz GJQBIPLYQUBHMY-MRVPVSSYSA-N 0 0 191.230 1.488 10 0 ADAERN CC[C@@H](CO)c1csc(C)n1 259402221 573282405 /nfs/dbraw/zinc/28/24/05/573282405.db2.gz TWKYHJHRPZIIIM-ZETCQYMHSA-N 0 0 171.265 1.937 10 0 ADAERN CCCC1(c2nnc(CO)n2C)CC1 308538467 573282425 /nfs/dbraw/zinc/28/24/25/573282425.db2.gz NANDGQRKBGMKSL-UHFFFAOYSA-N 0 0 195.266 1.139 10 0 ADAERN COC(=O)[C@@H]1CCCCC[C@H]1NC#N 238332023 573282469 /nfs/dbraw/zinc/28/24/69/573282469.db2.gz NPQAUDODFDZCCD-RKDXNWHRSA-N 0 0 196.250 1.179 10 0 ADAERN Cn1nccc1[C@H]1C[C@H](O)C1(C)C 236090581 573282491 /nfs/dbraw/zinc/28/24/91/573282491.db2.gz BHCWMJVPMPHAAJ-APPZFPTMSA-N 0 0 180.251 1.295 10 0 ADAERN Cn1nccc1[C@@H]1C[C@@H](O)C1(C)C 236085201 573282511 /nfs/dbraw/zinc/28/25/11/573282511.db2.gz BHCWMJVPMPHAAJ-IONNQARKSA-N 0 0 180.251 1.295 10 0 ADAERN COCC[C@H](C)C(=O)C(C)C 86167244 573282516 /nfs/dbraw/zinc/28/25/16/573282516.db2.gz HMCALFBVQRNUKJ-QMMMGPOBSA-N 0 0 158.241 1.884 10 0 ADAERN CNc1ccc(C)cc1NC(C)=O 238332659 573282522 /nfs/dbraw/zinc/28/25/22/573282522.db2.gz KWFKPARPFNIPGZ-UHFFFAOYSA-N 0 0 178.235 1.995 10 0 ADAERN CC(F)(F)CCn1cncc1CO 393580526 573282547 /nfs/dbraw/zinc/28/25/47/573282547.db2.gz HDNWSMRCHJEFAF-UHFFFAOYSA-N 0 0 190.193 1.421 10 0 ADAERN Cn1nccc1[C@H](O)[C@@H]1CC1(C)C 236089129 573282548 /nfs/dbraw/zinc/28/25/48/573282548.db2.gz AMWAUVIOUHNYFO-IONNQARKSA-N 0 0 180.251 1.500 10 0 ADAERN COC(=O)c1cc2cnc(C)nc2o1 259402044 573282557 /nfs/dbraw/zinc/28/25/57/573282557.db2.gz QUWYVCFGSISPSF-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN Cc1sccc1[C@@H]1COC[C@@H]1O 687969065 573282561 /nfs/dbraw/zinc/28/25/61/573282561.db2.gz FZGKMQLKDMRJSH-IUCAKERBSA-N 0 0 184.260 1.531 10 0 ADAERN CCC1([C@@H]2NNC(=O)[C@H]2C)CCC1 686135262 573282565 /nfs/dbraw/zinc/28/25/65/573282565.db2.gz FMJQGQOCTQCVEQ-JGVFFNPUSA-N 0 0 182.267 1.206 10 0 ADAERN COC[C@@H]1C[C@H](C)CCC1=O 238332746 573282573 /nfs/dbraw/zinc/28/25/73/573282573.db2.gz AZUJHEDQYHYZFX-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN Cn1cnc([C@@H](N)C2=CCCCO2)c1 236092260 573282599 /nfs/dbraw/zinc/28/25/99/573282599.db2.gz UKSKYEHRKGUXAF-SNVBAGLBSA-N 0 0 193.250 1.114 10 0 ADAERN CO/C=C(/C)CCCO 238332282 573282601 /nfs/dbraw/zinc/28/26/01/573282601.db2.gz SKBNNYVQWSBNEK-SREVYHEPSA-N 0 0 130.187 1.309 10 0 ADAERN Cn1cnnc1CN[C@H]1C=CCCC1 236085107 573282635 /nfs/dbraw/zinc/28/26/35/573282635.db2.gz AIDOQMDTIXLKDR-VIFPVBQESA-N 0 0 192.266 1.013 10 0 ADAERN CCC1([C@H]2NNC(=O)[C@H]2C)CCC1 686135264 573282639 /nfs/dbraw/zinc/28/26/39/573282639.db2.gz FMJQGQOCTQCVEQ-YUMQZZPRSA-N 0 0 182.267 1.206 10 0 ADAERN CCOC(=O)C1C[C@H]2CC(=O)C[C@@H]2C1 214274202 573282672 /nfs/dbraw/zinc/28/26/72/573282672.db2.gz KNNBQKGKSCDXLU-YUMQZZPRSA-N 0 0 196.246 1.555 10 0 ADAERN Cn1nccc1[C@@H](O)C1=CCCCC1 236082344 573282691 /nfs/dbraw/zinc/28/26/91/573282691.db2.gz KFJUWLKIARRKQJ-NSHDSACASA-N 0 0 192.262 1.954 10 0 ADAERN CCc1nn([C@@H](C)C2CC2)cc1N 716675107 573282694 /nfs/dbraw/zinc/28/26/94/573282694.db2.gz FWJLYISNYDUPBV-ZETCQYMHSA-N 0 0 179.267 1.999 10 0 ADAERN COCc1[nH]nc2nc(Cl)ccc12 238331997 573282714 /nfs/dbraw/zinc/28/27/14/573282714.db2.gz XONMYQWJQCRRLK-UHFFFAOYSA-N 0 0 197.625 1.758 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)Cc1ccsc1 690034411 573282757 /nfs/dbraw/zinc/28/27/57/573282757.db2.gz RPJODYJDIIFOBM-LPEHRKFASA-N 0 0 198.287 1.686 10 0 ADAERN CC[C@@H]1N[C@@H](C)C(=O)N1CCC1CC1 129421568 573282763 /nfs/dbraw/zinc/28/27/63/573282763.db2.gz HUPIQXWIOAFKNR-WCBMZHEXSA-N 0 0 196.294 1.343 10 0 ADAERN CC(C)(ON)C1CCOCC1 259403228 573282765 /nfs/dbraw/zinc/28/27/65/573282765.db2.gz IKTKIHQIFNIBQC-UHFFFAOYSA-N 0 0 159.229 1.082 10 0 ADAERN C/C=C/Cn1ccsc1=O 123959081 573282785 /nfs/dbraw/zinc/28/27/85/573282785.db2.gz WQNWMLGONBJCPF-NSCUHMNNSA-N 0 0 155.222 1.486 10 0 ADAERN CCn1c(CSC)n[nH]c1=S 116476786 573282790 /nfs/dbraw/zinc/28/27/90/573282790.db2.gz GDEBMSJIKGXDNU-UHFFFAOYSA-N 0 0 189.309 1.824 10 0 ADAERN Cc1ccccc1-c1[nH]cnc1N 105865442 573282800 /nfs/dbraw/zinc/28/28/00/573282800.db2.gz MCZGRMVFVSAHRK-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CC[C@@H](O)[C@H](CC)COC 86166749 573282813 /nfs/dbraw/zinc/28/28/13/573282813.db2.gz UIFVDYUHGMUVGN-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN OCC1(c2ccc3ncoc3c2)CC1 259402135 573282837 /nfs/dbraw/zinc/28/28/37/573282837.db2.gz WZUQEERUGICWSQ-UHFFFAOYSA-N 0 0 189.214 1.852 10 0 ADAERN Cn1cncc1[C@@H](O)C1=CCCCC1 236092589 573282868 /nfs/dbraw/zinc/28/28/68/573282868.db2.gz RMLIRPFZSGDPMC-NSHDSACASA-N 0 0 192.262 1.954 10 0 ADAERN CCc1cc(O)cc(C[C@@H](C)O)c1 257988814 573282873 /nfs/dbraw/zinc/28/28/73/573282873.db2.gz KNDAFRMEHBSRBX-MRVPVSSYSA-N 0 0 180.247 1.878 10 0 ADAERN CNc1ccc(C=O)c(Cl)n1 238332878 573282882 /nfs/dbraw/zinc/28/28/82/573282882.db2.gz VTWCAKSGOZKUMH-UHFFFAOYSA-N 0 0 170.599 1.589 10 0 ADAERN CCc1cc(N)cc(F)c1C(=O)OC 238333233 573282906 /nfs/dbraw/zinc/28/29/06/573282906.db2.gz RHJPCNLHGOFBPF-UHFFFAOYSA-N 0 0 197.209 1.757 10 0 ADAERN OCC=C1SCCCS1 197273000 573282925 /nfs/dbraw/zinc/28/29/25/573282925.db2.gz GATLPTPDXYOLCB-UHFFFAOYSA-N 0 0 162.279 1.690 10 0 ADAERN CN(C)c1nccc(NC2CC2)n1 82924215 573282955 /nfs/dbraw/zinc/28/29/55/573282955.db2.gz SIOOHBQYNUMBNF-UHFFFAOYSA-N 0 0 178.239 1.117 10 0 ADAERN COC[C@@H]1CC[C@H](C)CC1=O 238331772 573282960 /nfs/dbraw/zinc/28/29/60/573282960.db2.gz LNDGPIPBDJRIBA-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@H]1N[C@H](C)C(=O)N1CCC1CC1 129421315 573282981 /nfs/dbraw/zinc/28/29/81/573282981.db2.gz HUPIQXWIOAFKNR-SCZZXKLOSA-N 0 0 196.294 1.343 10 0 ADAERN O=c1[nH]ccc2c3c(ccc12)OCC3 116461934 573282986 /nfs/dbraw/zinc/28/29/86/573282986.db2.gz WKCRTQPANFLWRL-UHFFFAOYSA-N 0 0 187.198 1.463 10 0 ADAERN COC(=O)c1nc(C)[nH]c1C1CC1 259402881 573283000 /nfs/dbraw/zinc/28/30/00/573283000.db2.gz HDMJAKSWXCCNJF-UHFFFAOYSA-N 0 0 180.207 1.382 10 0 ADAERN Cc1c(CCO)cnn1C(C)C 258620209 573283480 /nfs/dbraw/zinc/28/34/80/573283480.db2.gz WQUDUCJNCMOSQX-UHFFFAOYSA-N 0 0 168.240 1.307 10 0 ADAERN NC(=O)N1CCCNc2ccccc21 82923110 573283015 /nfs/dbraw/zinc/28/30/15/573283015.db2.gz NHQMTMOTBZASLU-UHFFFAOYSA-N 0 0 191.234 1.387 10 0 ADAERN N#[N+]c1ccc(C(=O)[O-])c(O)c1 116460708 573283054 /nfs/dbraw/zinc/28/30/54/573283054.db2.gz FLJOPNKRHZDHIA-UHFFFAOYSA-O 0 0 165.128 1.575 10 0 ADAERN CO/C=C/[C@@H](C)CCCO 238333058 573283091 /nfs/dbraw/zinc/28/30/91/573283091.db2.gz SZDDKXRDMBZPSM-IVGLGHLBSA-N 0 0 144.214 1.555 10 0 ADAERN CC[C@@H]1C[C@@H]([C@H](O)CC)CCO1 86166519 573283119 /nfs/dbraw/zinc/28/31/19/573283119.db2.gz YHZKIWSFBQALTO-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)c1coc(C2CCC2)n1 257992379 573283183 /nfs/dbraw/zinc/28/31/83/573283183.db2.gz ICPADRXKRZQJJY-ZCFIWIBFSA-N 0 0 167.208 1.995 10 0 ADAERN CC[C@H](O)[C@@H]1CCOC(C)(C)C1 86166955 573283196 /nfs/dbraw/zinc/28/31/96/573283196.db2.gz AQNBHWGNJGPLIL-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN COC(C)(OC)[C@H](O)C(C)C 238332113 573283217 /nfs/dbraw/zinc/28/32/17/573283217.db2.gz HTZXLZAGFIZXKR-SSDOTTSWSA-N 0 0 162.229 1.012 10 0 ADAERN CC[C@H](N)c1nc(C(F)(F)F)no1 74245516 573283220 /nfs/dbraw/zinc/28/32/20/573283220.db2.gz BCBSFMLXLGPOIE-VKHMYHEASA-N 0 0 195.144 1.498 10 0 ADAERN Cn1nccc1[C@@H]1C[C@H](O)C1(C)C 236085245 573283222 /nfs/dbraw/zinc/28/32/22/573283222.db2.gz BHCWMJVPMPHAAJ-CBAPKCEASA-N 0 0 180.251 1.295 10 0 ADAERN C[NH2+][C@@H](C)c1cccc(C(=O)[O-])c1C 238332741 573283224 /nfs/dbraw/zinc/28/32/24/573283224.db2.gz LXLXQPFGQLQQKC-QMMMGPOBSA-N 0 0 193.246 1.974 10 0 ADAERN C[NH2+][C@H](C)c1cc(F)ccc1C(=O)[O-] 238331617 573283249 /nfs/dbraw/zinc/28/32/49/573283249.db2.gz YTYJYAFAVKYHJH-ZCFIWIBFSA-N 0 0 197.209 1.804 10 0 ADAERN CO/C=C(/NC(C)=O)c1ccccc1 238332502 573283266 /nfs/dbraw/zinc/28/32/66/573283266.db2.gz CPJAWOXOMYGMDC-DHZHZOJOSA-N 0 0 191.230 1.768 10 0 ADAERN Cn1nccc1[C@@H](O)[C@@H]1CC1(C)C 236082939 573283297 /nfs/dbraw/zinc/28/32/97/573283297.db2.gz AMWAUVIOUHNYFO-CBAPKCEASA-N 0 0 180.251 1.500 10 0 ADAERN Cn1nccc1-c1ccno1 236092440 573283304 /nfs/dbraw/zinc/28/33/04/573283304.db2.gz CJOOUZJJQKCGAF-UHFFFAOYSA-N 0 0 149.153 1.075 10 0 ADAERN CC[C@@H](N)c1nc(C(F)(F)F)no1 74245518 573283316 /nfs/dbraw/zinc/28/33/16/573283316.db2.gz BCBSFMLXLGPOIE-GSVOUGTGSA-N 0 0 195.144 1.498 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](c2ccco2)CC[NH2+]1 74245177 573283326 /nfs/dbraw/zinc/28/33/26/573283326.db2.gz YYNPTTHRFBFULI-YUMQZZPRSA-N 0 0 195.218 1.200 10 0 ADAERN CNc1ccc(C=O)cc1OC 238332955 573283366 /nfs/dbraw/zinc/28/33/66/573283366.db2.gz KHZFBTOIJJONOQ-UHFFFAOYSA-N 0 0 165.192 1.549 10 0 ADAERN CCOC(=O)C1C[C@@H]2CC(=O)C[C@H]2C1 214274256 573283381 /nfs/dbraw/zinc/28/33/81/573283381.db2.gz KNNBQKGKSCDXLU-HTQZYQBOSA-N 0 0 196.246 1.555 10 0 ADAERN Cc1cc2nc(N)c(C)c(Cl)n2n1 116432968 573283471 /nfs/dbraw/zinc/28/34/71/573283471.db2.gz KYFSNAOQTSXFOY-UHFFFAOYSA-N 0 0 196.641 1.582 10 0 ADAERN CC(C)c1ncc2n1CCC[C@@H]2O 258619271 573283405 /nfs/dbraw/zinc/28/34/05/573283405.db2.gz VZDFLAQLRACUDR-VIFPVBQESA-N 0 0 180.251 1.834 10 0 ADAERN O=C1Nc2ccccc2[C@@H]2CC=NN12 116423897 573283419 /nfs/dbraw/zinc/28/34/19/573283419.db2.gz AKCMRILTQRXZJY-VIFPVBQESA-N 0 0 187.202 1.965 10 0 ADAERN CN(C)c1ccc2nc(N)nc-2cc1 238332007 573283428 /nfs/dbraw/zinc/28/34/28/573283428.db2.gz CRWFBOBMPBKGTC-UHFFFAOYSA-N 0 0 188.234 1.230 10 0 ADAERN COC(CCC(=O)c1cc[nH]c1)OC 238333082 573283435 /nfs/dbraw/zinc/28/34/35/573283435.db2.gz SNHCCWUFYANIQO-UHFFFAOYSA-N 0 0 197.234 1.597 10 0 ADAERN CC[C@@H](COC)C(=O)C(C)C 86167369 573283442 /nfs/dbraw/zinc/28/34/42/573283442.db2.gz FBTWOLYJIDHFIH-QMMMGPOBSA-N 0 0 158.241 1.884 10 0 ADAERN CCCC(=O)COC1CCOCC1 50185514 573283443 /nfs/dbraw/zinc/28/34/43/573283443.db2.gz AQOCGXPYBIMFQB-UHFFFAOYSA-N 0 0 186.251 1.551 10 0 ADAERN CC(C)[C@H](CO)Cc1cccnc1 259402216 573283555 /nfs/dbraw/zinc/28/35/55/573283555.db2.gz OEBAYTPFJWXHBJ-NSHDSACASA-N 0 0 179.263 1.889 10 0 ADAERN CC[C@@H]1N[C@H](C)C(=O)N1CCC1CC1 129421075 573284190 /nfs/dbraw/zinc/28/41/90/573284190.db2.gz HUPIQXWIOAFKNR-PSASIEDQSA-N 0 0 196.294 1.343 10 0 ADAERN O[C@@H]([C@@H](F)C(F)F)C(F)(F)F 116455085 573284255 /nfs/dbraw/zinc/28/42/55/573284255.db2.gz XPRHZKIPOUDNSC-NCGGTJAESA-N 0 0 182.063 1.513 10 0 ADAERN COC(=O)[C@]1(NC2CC2)CC[C@@H]2C[C@@H]21 308538643 573284339 /nfs/dbraw/zinc/28/43/39/573284339.db2.gz MAGYNBKJLVHJKA-HDBBIHSSSA-N 0 0 195.262 1.080 10 0 ADAERN CC[C@@H]([NH2+]C)[C@H](C(=O)[O-])C(C)C 259069817 573284155 /nfs/dbraw/zinc/28/41/55/573284155.db2.gz BVBZDFYZQHFWNS-HTQZYQBOSA-N 0 0 173.256 1.341 10 0 ADAERN COCCC/C(C)=C/CO 238332246 573284156 /nfs/dbraw/zinc/28/41/56/573284156.db2.gz VOGLKWJUWJCLGK-VMPITWQZSA-N 0 0 144.214 1.352 10 0 ADAERN O=C([O-])[C@H]1C[C@H](c2ccco2)CC[NH2+]1 74245178 573284137 /nfs/dbraw/zinc/28/41/37/573284137.db2.gz YYNPTTHRFBFULI-HTQZYQBOSA-N 0 0 195.218 1.200 10 0 ADAERN CN[C@H](N)c1cc(F)ccc1F 259402137 573284142 /nfs/dbraw/zinc/28/41/42/573284142.db2.gz ODBUSTLZAZDEAF-QMMMGPOBSA-N 0 0 172.178 1.142 10 0 ADAERN O=C(c1cccc(F)c1)C1(CO)CC1 259069257 573284164 /nfs/dbraw/zinc/28/41/64/573284164.db2.gz DJEHVAWHVHPXSC-UHFFFAOYSA-N 0 0 194.205 1.781 10 0 ADAERN COC(=O)[C@@H]1CCCCC[C@@H](O)C1 238331956 573284197 /nfs/dbraw/zinc/28/41/97/573284197.db2.gz FMQBDFZRGHAIKL-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN CN(C)c1nccc(=S)[nH]1 82924172 573284211 /nfs/dbraw/zinc/28/42/11/573284211.db2.gz XESQCAPTCBWTSN-UHFFFAOYSA-N 0 0 155.226 1.205 10 0 ADAERN Nc1cc(-c2cnco2)cc(Cl)n1 74242948 573284355 /nfs/dbraw/zinc/28/43/55/573284355.db2.gz CUAOGDCUBZHCJU-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CC[C@@H]1N[C@@H](C)N(CCC2CC2)C1=O 129427385 573284228 /nfs/dbraw/zinc/28/42/28/573284228.db2.gz VEHCSAPQOAFBFW-SCZZXKLOSA-N 0 0 196.294 1.343 10 0 ADAERN CNC(=O)[C@H]1[C@H](C)C=CCC1(C)C 238332505 573284241 /nfs/dbraw/zinc/28/42/41/573284241.db2.gz LFJCOUUUIVUZLB-RKDXNWHRSA-N 0 0 181.279 1.971 10 0 ADAERN CC(C)c1ncc2n1CCC[C@H]2O 258619269 573284267 /nfs/dbraw/zinc/28/42/67/573284267.db2.gz VZDFLAQLRACUDR-SECBINFHSA-N 0 0 180.251 1.834 10 0 ADAERN Cc1cccc(NCO)c1C 258619222 573284302 /nfs/dbraw/zinc/28/43/02/573284302.db2.gz JIFNIQLBHXQHOU-UHFFFAOYSA-N 0 0 151.209 1.665 10 0 ADAERN Cc1nc2cc(NCCO)ccc2o1 105902500 573284305 /nfs/dbraw/zinc/28/43/05/573284305.db2.gz NBZFNLRXPGDKCO-UHFFFAOYSA-N 0 0 192.218 1.540 10 0 ADAERN OC[C@H]1Cc2c(F)cccc21 258490301 573284322 /nfs/dbraw/zinc/28/43/22/573284322.db2.gz JXPZEKXYPIUWHH-ZCFIWIBFSA-N 0 0 152.168 1.458 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](c2ccoc2)CC[NH2+]1 74245170 573284999 /nfs/dbraw/zinc/28/49/99/573284999.db2.gz FTOJATXWOHCSKV-CBAPKCEASA-N 0 0 195.218 1.200 10 0 ADAERN CCC[C@]1(C)CC(=O)NC(=O)[C@H]1C 86190996 573287996 /nfs/dbraw/zinc/28/79/96/573287996.db2.gz VWIPJVFPSWPWBL-GMSGAONNSA-N 0 0 183.251 1.475 10 0 ADAERN CC[C@H](O)[C@H](CC)COC 86166752 573284911 /nfs/dbraw/zinc/28/49/11/573284911.db2.gz UIFVDYUHGMUVGN-SFYZADRCSA-N 0 0 146.230 1.430 10 0 ADAERN C[NH2+][C@@H](C)c1cccc(F)c1C(=O)[O-] 238333035 573284925 /nfs/dbraw/zinc/28/49/25/573284925.db2.gz RZCWKKXBYLIJBM-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN Cc1nc(CN)oc1-c1cscn1 74244441 573285018 /nfs/dbraw/zinc/28/50/18/573285018.db2.gz XECPLJFTXAYVHO-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN Cc1cc([C@@H]2C[NH2+][C@@H](C(=O)[O-])C2)co1 74245253 573284961 /nfs/dbraw/zinc/28/49/61/573284961.db2.gz OTWLSMRUZYJSMJ-IONNQARKSA-N 0 0 195.218 1.118 10 0 ADAERN COC(=O)C(C)(C)c1cc[nH]c1 259069823 573284966 /nfs/dbraw/zinc/28/49/66/573284966.db2.gz BVGROUHUZRPHMG-UHFFFAOYSA-N 0 0 167.208 1.465 10 0 ADAERN CO/C=C/[C@@H](C)CCO 238333076 573284985 /nfs/dbraw/zinc/28/49/85/573284985.db2.gz SMQFJOMVLIEEQN-KNIZRNDPSA-N 0 0 130.187 1.165 10 0 ADAERN C[C@@H]1COc2ccc(CON)cc21 258280115 573289487 /nfs/dbraw/zinc/28/94/87/573289487.db2.gz ZOHTWDNQVTYWSJ-SSDOTTSWSA-N 0 0 179.219 1.573 10 0 ADAERN CO[C@@H]1C[C@H]2C(=O)CC[C@@H]12 238334650 573285586 /nfs/dbraw/zinc/28/55/86/573285586.db2.gz AKYGPAGEWISSPI-ATRFCDNQSA-N 0 0 140.182 1.000 10 0 ADAERN C=C(C)[C@@H]([NH2+]C1CCCC1)C(=O)[O-] 158911092 573285591 /nfs/dbraw/zinc/28/55/91/573285591.db2.gz HSXCIIDJRPAYBD-SECBINFHSA-N 0 0 183.251 1.548 10 0 ADAERN OCc1cnc([C@@H]2CCCCO2)s1 258204801 573285605 /nfs/dbraw/zinc/28/56/05/573285605.db2.gz UBLJCJHFZQUUNV-QMMMGPOBSA-N 0 0 199.275 1.877 10 0 ADAERN CC[C@H](C)[C@H]1CC(=O)NC(=O)[C@@H]1CC 86191900 573285609 /nfs/dbraw/zinc/28/56/09/573285609.db2.gz OUOMGKPMSPCYJA-DJLDLDEBSA-N 0 0 197.278 1.721 10 0 ADAERN C[C@H]1COc2ccc(CON)cc21 258280116 573285615 /nfs/dbraw/zinc/28/56/15/573285615.db2.gz ZOHTWDNQVTYWSJ-ZETCQYMHSA-N 0 0 179.219 1.573 10 0 ADAERN CC[C@]1(C2CC2)CC(=O)NC(=O)[C@@H]1C 86191108 573285617 /nfs/dbraw/zinc/28/56/17/573285617.db2.gz BMSMMYPLECKMFY-CPCISQLKSA-N 0 0 195.262 1.475 10 0 ADAERN CNC(=O)C=C(C)Nc1ccccc1 238334770 573285636 /nfs/dbraw/zinc/28/56/36/573285636.db2.gz FMOHZGFFULESJX-HJWRWDBZSA-N 0 0 190.246 1.748 10 0 ADAERN Cn1cnc(-c2n[nH]c(C3CC3)n2)c1 236111061 573285637 /nfs/dbraw/zinc/28/56/37/573285637.db2.gz QEVRLSRAHGAKFV-UHFFFAOYSA-N 0 0 189.222 1.083 10 0 ADAERN CC(=O)[C@H](F)[C@@H]1CCCS1 258490347 573285668 /nfs/dbraw/zinc/28/56/68/573285668.db2.gz KACXMBCYROJJLL-BQBZGAKWSA-N 0 0 162.229 1.809 10 0 ADAERN OCC[C@H]1Cc2c(O)cccc2O1 258279589 573285669 /nfs/dbraw/zinc/28/56/69/573285669.db2.gz TVOVVKOFBROSIU-ZETCQYMHSA-N 0 0 180.203 1.078 10 0 ADAERN COc1ccccc1[C@H](OC)N(C)C 259069322 573285677 /nfs/dbraw/zinc/28/56/77/573285677.db2.gz DKHDLAKYJVDHMF-NSHDSACASA-N 0 0 195.262 1.902 10 0 ADAERN Cn1cc(N)c(NC[C@H]2CC2(C)C)n1 236101055 573285978 /nfs/dbraw/zinc/28/59/78/573285978.db2.gz YBMIOEKSOAXJFD-SSDOTTSWSA-N 0 0 194.282 1.460 10 0 ADAERN CC[C@@H](C)[C@](O)(C(=O)OC)C(C)C 86186247 573285744 /nfs/dbraw/zinc/28/57/44/573285744.db2.gz HZJLIAPUHYTDBX-SCZZXKLOSA-N 0 0 188.267 1.593 10 0 ADAERN C[NH2+][C@@H]1CCc2cc(C(=O)[O-])ccc21 223089458 573285982 /nfs/dbraw/zinc/28/59/82/573285982.db2.gz DFQHXOKCTWNJHK-SNVBAGLBSA-N 0 0 191.230 1.592 10 0 ADAERN CC(C)[C@@H](O)[C@@H]1CCCOCC1 86182869 573285759 /nfs/dbraw/zinc/28/57/59/573285759.db2.gz NCFGIWDEKOSFSE-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)[C@H]1CNc2cc(O)ccc21 238333784 573285764 /nfs/dbraw/zinc/28/57/64/573285764.db2.gz BKGHKBSHDHOUEK-QMMMGPOBSA-N 0 0 193.202 1.074 10 0 ADAERN CCC[C@@H]1C(=O)NC(=O)C[C@@]1(C)CC 86191633 573285765 /nfs/dbraw/zinc/28/57/65/573285765.db2.gz GAGDRVJDAKTZIE-LDYMZIIASA-N 0 0 197.278 1.866 10 0 ADAERN O=c1[nH]n(C2CC2)c2c1CCC2 258620126 573285777 /nfs/dbraw/zinc/28/57/77/573285777.db2.gz WPRKERZSCSQJJF-UHFFFAOYSA-N 0 0 164.208 1.412 10 0 ADAERN CNc1nc(-c2ccc[nH]2)co1 259069055 573285781 /nfs/dbraw/zinc/28/57/81/573285781.db2.gz HLFJEYJFRBEEJJ-UHFFFAOYSA-N 0 0 163.180 1.711 10 0 ADAERN c1cc(-c2nncn2C2CC2)ccn1 116478996 573285782 /nfs/dbraw/zinc/28/57/82/573285782.db2.gz GZWXLSVJILGXCF-UHFFFAOYSA-N 0 0 186.218 1.675 10 0 ADAERN CC(=O)c1cnc(C[C@@H]2CCOC2)o1 258279357 573285795 /nfs/dbraw/zinc/28/57/95/573285795.db2.gz YJPGUJZWGJWETF-QMMMGPOBSA-N 0 0 195.218 1.456 10 0 ADAERN CCC[C@H]1C(=O)NC(=O)C[C@@]1(C)CC 86191635 573285810 /nfs/dbraw/zinc/28/58/10/573285810.db2.gz GAGDRVJDAKTZIE-GZMMTYOYSA-N 0 0 197.278 1.866 10 0 ADAERN CCN(Cc1ccc(F)cc1N)OC 308533602 573285812 /nfs/dbraw/zinc/28/58/12/573285812.db2.gz KTBHZYIWLFOIMR-UHFFFAOYSA-N 0 0 198.241 1.791 10 0 ADAERN COc1cc(Cl)cc2ccnn12 238334952 573285826 /nfs/dbraw/zinc/28/58/26/573285826.db2.gz MACQGOIVKQZXCE-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN CCC[C@H](CC(C)(C)C(=O)[O-])[NH2+]C 259403460 573285848 /nfs/dbraw/zinc/28/58/48/573285848.db2.gz MTQPAXQFQCXRTB-MRVPVSSYSA-N 0 0 187.283 1.875 10 0 ADAERN CNC(=O)/C=C(/C)CC(C)C 238334637 573285866 /nfs/dbraw/zinc/28/58/66/573285866.db2.gz CONMTWCQZNZIDA-VURMDHGXSA-N 0 0 155.241 1.725 10 0 ADAERN CC(C)c1nc(Cl)c2c(n1)CNC2 257992238 573285877 /nfs/dbraw/zinc/28/58/77/573285877.db2.gz FNSRXGPLDLIOGY-UHFFFAOYSA-N 0 0 197.669 1.857 10 0 ADAERN CO/C=C/[C@H](C)CCO 238333596 573285880 /nfs/dbraw/zinc/28/58/80/573285880.db2.gz SMQFJOMVLIEEQN-PTYLAXBQSA-N 0 0 130.187 1.165 10 0 ADAERN CC(C)[C@@H]1C(=O)NC(=O)C[C@H]1C1CC1 86191766 573285881 /nfs/dbraw/zinc/28/58/81/573285881.db2.gz CGICROQLXDOTPK-WPRPVWTQSA-N 0 0 195.262 1.331 10 0 ADAERN C[C@H]1CCCc2cnc(CCO)n21 258280222 573285886 /nfs/dbraw/zinc/28/58/86/573285886.db2.gz NQSSTIJXZUOGRA-QMMMGPOBSA-N 0 0 180.251 1.315 10 0 ADAERN C[C@@](N)(F)C1CCSCC1 258490359 573285925 /nfs/dbraw/zinc/28/59/25/573285925.db2.gz KARQUDQFZZWNIC-ZETCQYMHSA-N 0 0 163.261 1.774 10 0 ADAERN Nc1ccccc1[C@@H](O)[C@@H]1CCOC1 82924948 573285999 /nfs/dbraw/zinc/28/59/99/573285999.db2.gz BPDPYWFKHLZYED-KCJUWKMLSA-N 0 0 193.246 1.339 10 0 ADAERN CC(C)C[C@H]1C(=O)NC(=O)CC1(C)C 86191461 573285932 /nfs/dbraw/zinc/28/59/32/573285932.db2.gz MQBDRMIAMXPLBF-QMMMGPOBSA-N 0 0 197.278 1.721 10 0 ADAERN Cc1ocnc1[C@H]1CC(=O)C[C@@H](C)N1 74246808 573285934 /nfs/dbraw/zinc/28/59/34/573285934.db2.gz SCAOHZUTEGXGLX-HZGVNTEJSA-N 0 0 194.234 1.365 10 0 ADAERN CNC(=O)C[C@](C)(O)c1ccccc1 238334931 573285935 /nfs/dbraw/zinc/28/59/35/573285935.db2.gz FFUUZOZIWHBKNR-NSHDSACASA-N 0 0 193.246 1.030 10 0 ADAERN CC(C)C[C@]1(C)CC(=O)NC(=O)[C@H]1C 86190944 573285967 /nfs/dbraw/zinc/28/59/67/573285967.db2.gz DCOYSDDOWMHBEW-LDYMZIIASA-N 0 0 197.278 1.721 10 0 ADAERN Cn1cnc([C@H](N)C2=CCCCO2)c1 236101307 573287240 /nfs/dbraw/zinc/28/72/40/573287240.db2.gz UKSKYEHRKGUXAF-JTQLQIEISA-N 0 0 193.250 1.114 10 0 ADAERN CCCC(=O)Cn1ccccc1=O 50184705 573287242 /nfs/dbraw/zinc/28/72/42/573287242.db2.gz BURNBMJGRZYDKV-UHFFFAOYSA-N 0 0 179.219 1.218 10 0 ADAERN O[C@H]([C@H](F)C(F)F)C(F)(F)F 116455092 573287250 /nfs/dbraw/zinc/28/72/50/573287250.db2.gz XPRHZKIPOUDNSC-NHYDCYSISA-N 0 0 182.063 1.513 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@@]1(C)C(C)C 86191882 573289549 /nfs/dbraw/zinc/28/95/49/573289549.db2.gz BKZNFTUTQBZSRM-KCJUWKMLSA-N 0 0 197.278 1.721 10 0 ADAERN CCn1c([C@@H]2CCCO2)n[nH]c1=S 116477220 573286576 /nfs/dbraw/zinc/28/65/76/573286576.db2.gz FZLITTMMVHAXND-LURJTMIESA-N 0 0 199.279 1.812 10 0 ADAERN C=C(C)[C@H]([NH2+][C@@H](C)CC)C(=O)[O-] 158914363 573286582 /nfs/dbraw/zinc/28/65/82/573286582.db2.gz BXIPQGCOPPLQMA-YUMQZZPRSA-N 0 0 171.240 1.404 10 0 ADAERN CCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1C 86190993 573286585 /nfs/dbraw/zinc/28/65/85/573286585.db2.gz VWIPJVFPSWPWBL-XVKPBYJWSA-N 0 0 183.251 1.475 10 0 ADAERN O[C@H]([C@@H](F)C(F)F)C(F)(F)F 116455087 573286593 /nfs/dbraw/zinc/28/65/93/573286593.db2.gz XPRHZKIPOUDNSC-JCYAYHJZSA-N 0 0 182.063 1.513 10 0 ADAERN CC[C@@]1(C)CC(=O)NC(=O)[C@@H]1C 86191213 573286602 /nfs/dbraw/zinc/28/66/02/573286602.db2.gz INSARUNSTFERJV-RCOVLWMOSA-N 0 0 169.224 1.085 10 0 ADAERN COc1ccc(F)c(CC2(O)CC2)c1 257994054 573286607 /nfs/dbraw/zinc/28/66/07/573286607.db2.gz FVBRRQREAZNPJE-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN CSCCOC1CCC(O)CC1 129448282 573286609 /nfs/dbraw/zinc/28/66/09/573286609.db2.gz DEWLKUHUQDGBFM-UHFFFAOYSA-N 0 0 190.308 1.670 10 0 ADAERN Cc1nn([C@H]2CCS[C@@H]2C)cc1N 716683844 573286649 /nfs/dbraw/zinc/28/66/49/573286649.db2.gz SSVJJWPNHHWHCA-APPZFPTMSA-N 0 0 197.307 1.840 10 0 ADAERN CCC[C@H]1C(=O)NC(=O)CC12CCC2 86191660 573286652 /nfs/dbraw/zinc/28/66/52/573286652.db2.gz SQNVCFVQFWATJS-QMMMGPOBSA-N 0 0 195.262 1.620 10 0 ADAERN CCCC(=O)Cn1nc(C)cc1C 50184639 573286675 /nfs/dbraw/zinc/28/66/75/573286675.db2.gz NNLXCFMFBKVSHB-UHFFFAOYSA-N 0 0 180.251 1.869 10 0 ADAERN CCCc1csc(CC(=O)OC)n1 50192955 573286689 /nfs/dbraw/zinc/28/66/89/573286689.db2.gz RRBIDCJVWUDFSS-UHFFFAOYSA-N 0 0 199.275 1.811 10 0 ADAERN Cn1cnc([C@H](O)Cc2ccoc2)c1 236104315 573286697 /nfs/dbraw/zinc/28/66/97/573286697.db2.gz RZIRPKWQBSHJGS-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN C/C=C(/C)C(=O)N(C)C[C@@H](C)CO 393580871 573286700 /nfs/dbraw/zinc/28/67/00/573286700.db2.gz GOEHNAOZRDUCRP-CPJBWDMUSA-N 0 0 185.267 1.039 10 0 ADAERN Cc1n[nH]cc1[C@H]1CC(=O)C[C@@H](C)N1 74248106 573286704 /nfs/dbraw/zinc/28/67/04/573286704.db2.gz ZGFKTUYIFDCTJQ-LHLIQPBNSA-N 0 0 193.250 1.100 10 0 ADAERN CCC[C@H](C)[C@@H]1CC(=O)NC(=O)[C@@H]1C 86190800 573286708 /nfs/dbraw/zinc/28/67/08/573286708.db2.gz DIISKSAVKCDVRX-YIZRAAEISA-N 0 0 197.278 1.721 10 0 ADAERN Cn1cccc1[C@@H]1CCCCCN1N 74247565 573286735 /nfs/dbraw/zinc/28/67/35/573286735.db2.gz SBCPUGYONADRAU-NSHDSACASA-N 0 0 193.294 1.816 10 0 ADAERN CSCc1cnsc1N 257994184 573286736 /nfs/dbraw/zinc/28/67/36/573286736.db2.gz YDSVSNLRRLXODM-UHFFFAOYSA-N 0 0 160.267 1.588 10 0 ADAERN Cn1cnc(C(=O)c2ccccc2)c1 236109700 573286740 /nfs/dbraw/zinc/28/67/40/573286740.db2.gz VJJQGZBBXBJOBW-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN CCCCC1=C(C)C(=O)NC1=O 116459642 573286744 /nfs/dbraw/zinc/28/67/44/573286744.db2.gz JKLUKLCVTCIHLL-UHFFFAOYSA-N 0 0 167.208 1.150 10 0 ADAERN Cc1nc[nH]c1[C@H]1CC(=O)C[C@@H](C)N1 74248082 573286745 /nfs/dbraw/zinc/28/67/45/573286745.db2.gz FYPJMQDEQIYQMU-HZGVNTEJSA-N 0 0 193.250 1.100 10 0 ADAERN CN(C)c1cccc2c1NC(=O)C2 238333376 573286749 /nfs/dbraw/zinc/28/67/49/573286749.db2.gz QPFFZMYOOWLGPR-UHFFFAOYSA-N 0 0 176.219 1.247 10 0 ADAERN Cn1cnc([C@H](O)c2cccs2)c1 236104906 573286751 /nfs/dbraw/zinc/28/67/51/573286751.db2.gz HHZLOBUAOBJAFZ-VIFPVBQESA-N 0 0 194.259 1.563 10 0 ADAERN CCC[C@H]1C(=O)NC(=O)C[C@H]1C1CC1 86191547 573286756 /nfs/dbraw/zinc/28/67/56/573286756.db2.gz PXJBRAQXCDZMAZ-BDAKNGLRSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1C[C@@]1(C(=O)[O-])[C@H]1CC[N@H+](C)C1 259069043 573286760 /nfs/dbraw/zinc/28/67/60/573286760.db2.gz XVIJYQKNZBNBAN-WEDXCCLWSA-N 0 0 183.251 1.049 10 0 ADAERN CCc1cc(N)cc2cnoc12 238333425 573286777 /nfs/dbraw/zinc/28/67/77/573286777.db2.gz NCVCQBWZLQFGOC-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN C[C@@H]1NC(=O)O[C@@H]1c1ccncc1 116444327 573286778 /nfs/dbraw/zinc/28/67/78/573286778.db2.gz ALIVCXNIIXCCAZ-XPUUQOCRSA-N 0 0 178.191 1.251 10 0 ADAERN C[C@@H]1CC[C@@]2(CC(=O)NC(=O)[C@@H]2C)C1 86191288 573286780 /nfs/dbraw/zinc/28/67/80/573286780.db2.gz SSTCMGHBYRTNBM-FYBVGQRMSA-N 0 0 195.262 1.475 10 0 ADAERN Cc1cnc([C@H]2CC(=O)C[C@H](C)N2)o1 74246810 573287283 /nfs/dbraw/zinc/28/72/83/573287283.db2.gz QLVXQQPIVFKISE-IMTBSYHQSA-N 0 0 194.234 1.365 10 0 ADAERN C[NH2+][C@H](C)c1ccc(F)cc1C(=O)[O-] 238334184 573286783 /nfs/dbraw/zinc/28/67/83/573286783.db2.gz YXCVVCJRPSVNRM-ZCFIWIBFSA-N 0 0 197.209 1.804 10 0 ADAERN CSc1nc2ncc(N)cc2s1 257994914 573286785 /nfs/dbraw/zinc/28/67/85/573286785.db2.gz LBTVRRMLFSTEFQ-UHFFFAOYSA-N 0 0 197.288 1.995 10 0 ADAERN Cc1cc([C@H]2CC(=O)C[C@H](C)N2)co1 74248285 573286792 /nfs/dbraw/zinc/28/67/92/573286792.db2.gz SXKIRXGVYKRTLP-WRWORJQWSA-N 0 0 193.246 1.970 10 0 ADAERN OCCCc1ccc(O)c(F)c1O 257993958 573286793 /nfs/dbraw/zinc/28/67/93/573286793.db2.gz FSUNKTHBVULLEH-UHFFFAOYSA-N 0 0 186.182 1.162 10 0 ADAERN CCc1nn(C)cc1NC(=O)OC 222995926 573286834 /nfs/dbraw/zinc/28/68/34/573286834.db2.gz NCAQUPHORMBUTB-UHFFFAOYSA-N 0 0 183.211 1.161 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@H]1C(C)(C)C 86191024 573286836 /nfs/dbraw/zinc/28/68/36/573286836.db2.gz FFFAGKDPKBSKIP-NKWVEPMBSA-N 0 0 183.251 1.331 10 0 ADAERN C[C@H]1C(=O)NC(=O)CC12CCCCC2 86190776 573287287 /nfs/dbraw/zinc/28/72/87/573287287.db2.gz LJOMLLDUCGUUPL-QMMMGPOBSA-N 0 0 195.262 1.620 10 0 ADAERN CC(C)(O)c1cccc(CCO)c1 259402625 573286837 /nfs/dbraw/zinc/28/68/37/573286837.db2.gz JGBJMXRHUKOTLL-UHFFFAOYSA-N 0 0 180.247 1.449 10 0 ADAERN Nc1ccccc1[C@@H](O)[C@H]1CCOC1 82924950 573286840 /nfs/dbraw/zinc/28/68/40/573286840.db2.gz BPDPYWFKHLZYED-KWQFWETISA-N 0 0 193.246 1.339 10 0 ADAERN Cn1cnc(C(=O)[C@H]2CCCOC2)c1 236109133 573286851 /nfs/dbraw/zinc/28/68/51/573286851.db2.gz UNBHMRYTUILKPC-QMMMGPOBSA-N 0 0 194.234 1.029 10 0 ADAERN C[C@]1(C(F)(F)F)CNC(=O)C1 258490338 573286852 /nfs/dbraw/zinc/28/68/52/573286852.db2.gz JZRBCVUMNBFMJC-RXMQYKEDSA-N 0 0 167.130 1.075 10 0 ADAERN CC[C@@]1(C)CC(=O)NC(=O)[C@H]1C(C)C 86191835 573286858 /nfs/dbraw/zinc/28/68/58/573286858.db2.gz WCAHNFCKSPGXTR-KOLCDFICSA-N 0 0 197.278 1.721 10 0 ADAERN O=Cc1noc([C@@H]2CCCCO2)n1 257994628 573290448 /nfs/dbraw/zinc/29/04/48/573290448.db2.gz LSXDQIDDLZFXJJ-LURJTMIESA-N 0 0 182.179 1.124 10 0 ADAERN OC[C@H]1C[C@@H]1c1cccc(O)c1 258619949 573286870 /nfs/dbraw/zinc/28/68/70/573286870.db2.gz WOPXPIGBVVORCM-PSASIEDQSA-N 0 0 164.204 1.488 10 0 ADAERN CNc1ccc(CO)cc1C 238333330 573286897 /nfs/dbraw/zinc/28/68/97/573286897.db2.gz SRHUIKMMWUHFHJ-UHFFFAOYSA-N 0 0 151.209 1.529 10 0 ADAERN C[NH2+][C@H](C)c1ccc(C)c(C(=O)[O-])c1 238333491 573286905 /nfs/dbraw/zinc/28/69/05/573286905.db2.gz AAWAJTCUCPEIBU-MRVPVSSYSA-N 0 0 193.246 1.974 10 0 ADAERN CC[C@H](C)[C@H]1CC(=O)NC(=O)[C@@H]1C 86190796 573286907 /nfs/dbraw/zinc/28/69/07/573286907.db2.gz JELPYSMLUKDOBG-XLPZGREQSA-N 0 0 183.251 1.331 10 0 ADAERN CNc1ccc(N=O)ccc1=O 238335052 573286914 /nfs/dbraw/zinc/28/69/14/573286914.db2.gz ATUIAAJZENPJEL-UHFFFAOYSA-N 0 0 164.164 1.486 10 0 ADAERN CCOC(C)(C)C(=O)[C@@H]1CCOC1 132283756 573286915 /nfs/dbraw/zinc/28/69/15/573286915.db2.gz AZFOWXPELPJGQX-MRVPVSSYSA-N 0 0 186.251 1.407 10 0 ADAERN C[NH2+][C@H](C)c1ccc(C(=O)[O-])nc1 238333466 573286921 /nfs/dbraw/zinc/28/69/21/573286921.db2.gz XHDDWBJUWMWAAS-ZCFIWIBFSA-N 0 0 180.207 1.060 10 0 ADAERN CC#CCC[NH2+]CC(C)(C)C(=O)[O-] 125676753 573286925 /nfs/dbraw/zinc/28/69/25/573286925.db2.gz RSHBLFWVLZVFQQ-UHFFFAOYSA-N 0 0 183.251 1.100 10 0 ADAERN CNc1ccc(F)c(Cl)n1 238334267 573286926 /nfs/dbraw/zinc/28/69/26/573286926.db2.gz KRICVKJQRRUDCO-UHFFFAOYSA-N 0 0 160.579 1.916 10 0 ADAERN COc1ccc(C)cc1ON 257994978 573286928 /nfs/dbraw/zinc/28/69/28/573286928.db2.gz LFKYZLUOUMAMQI-UHFFFAOYSA-N 0 0 153.181 1.256 10 0 ADAERN Cc1ncoc1[C@H]1CC(=O)C[C@@H](C)N1 74246820 573286936 /nfs/dbraw/zinc/28/69/36/573286936.db2.gz XCQXIZZABUEMIX-HZGVNTEJSA-N 0 0 194.234 1.365 10 0 ADAERN O=c1[nH]cc(C2CCCC2)[nH]1 258619895 573286971 /nfs/dbraw/zinc/28/69/71/573286971.db2.gz WOGPJISITXZNER-UHFFFAOYSA-N 0 0 152.197 1.773 10 0 ADAERN Cn1cnc([C@H](O)CC2CC2)c1 236103666 573286980 /nfs/dbraw/zinc/28/69/80/573286980.db2.gz RUZRMYXFKUUHOB-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN COC(=O)c1cncc(OC)c1F 238334390 573287003 /nfs/dbraw/zinc/28/70/03/573287003.db2.gz ZEEOTXZEHSILCO-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN Cn1cccc1Cc1ccc[nH]1 222993117 573287011 /nfs/dbraw/zinc/28/70/11/573287011.db2.gz AQOUWCNYYDHALF-UHFFFAOYSA-N 0 0 160.220 1.944 10 0 ADAERN COCc1cc(OC)cc(C)c1O 238324539 573287014 /nfs/dbraw/zinc/28/70/14/573287014.db2.gz DYSPUDLATPICFJ-UHFFFAOYSA-N 0 0 182.219 1.856 10 0 ADAERN Cc1ccc2c(c1)-c1nnc(N)cc1C2 129434571 573287020 /nfs/dbraw/zinc/28/70/20/573287020.db2.gz VIHGYRPRIMEHGA-UHFFFAOYSA-N 0 0 197.241 1.938 10 0 ADAERN CO[C@@H]1CCC[C@@H]2[C@@H](O)CCC[C@H]21 238324624 573287032 /nfs/dbraw/zinc/28/70/32/573287032.db2.gz WLQDBCIYLQRRKM-ZRUFSTJUSA-N 0 0 184.279 1.963 10 0 ADAERN CC(C)C[C@@H]1C(=O)NC(=O)CC1(C)C 86191459 573287035 /nfs/dbraw/zinc/28/70/35/573287035.db2.gz MQBDRMIAMXPLBF-MRVPVSSYSA-N 0 0 197.278 1.721 10 0 ADAERN CCc1cc(NC(N)=S)ccc1O 238334467 573287055 /nfs/dbraw/zinc/28/70/55/573287055.db2.gz LPQDOLKYHYHDGU-UHFFFAOYSA-N 0 0 196.275 1.610 10 0 ADAERN CC[C@H](C)[C@@H]1CC(=O)NC(=O)[C@H]1CC 86191899 573287074 /nfs/dbraw/zinc/28/70/74/573287074.db2.gz OUOMGKPMSPCYJA-CIUDSAMLSA-N 0 0 197.278 1.721 10 0 ADAERN C[C@H](O)c1cccc2c1CCC(=O)N2 257993949 573287295 /nfs/dbraw/zinc/28/72/95/573287295.db2.gz FSMBVWXVTPRENN-ZETCQYMHSA-N 0 0 191.230 1.625 10 0 ADAERN CC(=O)[C@H](F)[C@H]1CCCS1 258490351 573287129 /nfs/dbraw/zinc/28/71/29/573287129.db2.gz KACXMBCYROJJLL-RQJHMYQMSA-N 0 0 162.229 1.809 10 0 ADAERN CC[C@@]1(C)CC(=O)NC(=O)[C@H]1C 86191218 573287143 /nfs/dbraw/zinc/28/71/43/573287143.db2.gz INSARUNSTFERJV-MUWHJKNJSA-N 0 0 169.224 1.085 10 0 ADAERN C[C@@H]1NC(=O)O[C@@H]1c1cccc(F)c1 116444332 573287179 /nfs/dbraw/zinc/28/71/79/573287179.db2.gz XQMBYCJWLKAMTO-RCOVLWMOSA-N 0 0 195.193 1.995 10 0 ADAERN CC(=O)O[C@H](C)CC/C=C/CO 238438850 573287192 /nfs/dbraw/zinc/28/71/92/573287192.db2.gz IHOGTUIZRYPKET-RYEJSQLPSA-N 0 0 172.224 1.267 10 0 ADAERN OC[C@H]1C[C@@H]1c1ccc(O)cc1 258620144 573287199 /nfs/dbraw/zinc/28/71/99/573287199.db2.gz WQAKWHJSLHFSDJ-PSASIEDQSA-N 0 0 164.204 1.488 10 0 ADAERN COc1ccccc1[C@@H](OC)N(C)C 259069318 573287218 /nfs/dbraw/zinc/28/72/18/573287218.db2.gz DKHDLAKYJVDHMF-LLVKDONJSA-N 0 0 195.262 1.902 10 0 ADAERN Cn1cc(CC(=O)[C@H]2CC2(C)C)cn1 236109277 573287219 /nfs/dbraw/zinc/28/72/19/573287219.db2.gz BKRLYWSGSWTKRR-SECBINFHSA-N 0 0 192.262 1.578 10 0 ADAERN Cc1nc[nH]c1[C@@H]1CC(=O)C[C@H](C)N1 74248079 573287222 /nfs/dbraw/zinc/28/72/22/573287222.db2.gz FYPJMQDEQIYQMU-RCOVLWMOSA-N 0 0 193.250 1.100 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CCCOCC1 86182864 573287223 /nfs/dbraw/zinc/28/72/23/573287223.db2.gz NCFGIWDEKOSFSE-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1ncoc1[C@H]1CC(=O)C[C@H](C)N1 74246818 573287233 /nfs/dbraw/zinc/28/72/33/573287233.db2.gz XCQXIZZABUEMIX-IMTBSYHQSA-N 0 0 194.234 1.365 10 0 ADAERN CCc1noc2cc(N)ccc12 258490328 573287280 /nfs/dbraw/zinc/28/72/80/573287280.db2.gz JZIZEFUMNBYSFK-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@@H]1C1CCCC1 86191175 573287314 /nfs/dbraw/zinc/28/73/14/573287314.db2.gz ZIKNAEFTXNSTOF-CBAPKCEASA-N 0 0 195.262 1.475 10 0 ADAERN CO/C=C/[C@H](C)CCCO 238333586 573287322 /nfs/dbraw/zinc/28/73/22/573287322.db2.gz SZDDKXRDMBZPSM-WVXIBAHESA-N 0 0 144.214 1.555 10 0 ADAERN CC(C)C[C@@]1(C)CC(=O)NC(=O)[C@@H]1C 86190950 573287332 /nfs/dbraw/zinc/28/73/32/573287332.db2.gz DCOYSDDOWMHBEW-KWQFWETISA-N 0 0 197.278 1.721 10 0 ADAERN C[C@@H](O)c1cccc2c1CCC(=O)N2 257993944 573287333 /nfs/dbraw/zinc/28/73/33/573287333.db2.gz FSMBVWXVTPRENN-SSDOTTSWSA-N 0 0 191.230 1.625 10 0 ADAERN CC(C)[C@@H]1C(=O)NC(=O)C[C@@H]1C(C)C 86191839 573287358 /nfs/dbraw/zinc/28/73/58/573287358.db2.gz ZJKKQJKOJDVVPW-SCZZXKLOSA-N 0 0 197.278 1.577 10 0 ADAERN Cc1cc(C)nc(CN(C)C)n1 238333753 573287360 /nfs/dbraw/zinc/28/73/60/573287360.db2.gz WHVSFUUWYYDYNE-UHFFFAOYSA-N 0 0 165.240 1.155 10 0 ADAERN Cc1cc(-c2noc([C@H](C)N)n2)no1 74247059 573287361 /nfs/dbraw/zinc/28/73/61/573287361.db2.gz MAIIFRHZZCDCMC-YFKPBYRVSA-N 0 0 194.194 1.053 10 0 ADAERN Cc1cc(C[C@H](C)O)cc2c1OCO2 257994077 573287366 /nfs/dbraw/zinc/28/73/66/573287366.db2.gz FVUIMXDXUXOUSV-QMMMGPOBSA-N 0 0 194.230 1.647 10 0 ADAERN O=C1C[C@H]2CCSC[C@@H]2O1 258490417 573287367 /nfs/dbraw/zinc/28/73/67/573287367.db2.gz KDFHTAWXNYNTCY-RITPCOANSA-N 0 0 158.222 1.055 10 0 ADAERN CO[C@H]1CCC[C@@H]1NCc1cocn1 308541623 573287386 /nfs/dbraw/zinc/28/73/86/573287386.db2.gz UTBWKTWCNKDWGD-UWVGGRQHSA-N 0 0 196.250 1.332 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@@]1(C)C1CC1 86191937 573291355 /nfs/dbraw/zinc/29/13/55/573291355.db2.gz FBCIHYNHPNSXFN-KWQFWETISA-N 0 0 195.262 1.475 10 0 ADAERN Cc1c[nH]c([C@H]2CC(=O)C[C@H](C)N2)n1 74248096 573287459 /nfs/dbraw/zinc/28/74/59/573287459.db2.gz YBQOYMVOKCCOHJ-IMTBSYHQSA-N 0 0 193.250 1.100 10 0 ADAERN C[C@H]1C(=O)NC(=O)C[C@@]1(C)C1CC1 86190953 573287411 /nfs/dbraw/zinc/28/74/11/573287411.db2.gz 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/nfs/dbraw/zinc/28/95/47/573289547.db2.gz UBLJCJHFZQUUNV-MRVPVSSYSA-N 0 0 199.275 1.877 10 0 ADAERN COC(=O)C/C=C\Cc1ccco1 258277911 573290476 /nfs/dbraw/zinc/29/04/76/573290476.db2.gz SINCYIJUXVUQGC-IHWYPQMZSA-N 0 0 180.203 1.941 10 0 ADAERN Cc1nc([C@H]2CC(=O)CCN2)c(C)o1 74246646 573290480 /nfs/dbraw/zinc/29/04/80/573290480.db2.gz HATZPDYDQSFWLR-SECBINFHSA-N 0 0 194.234 1.285 10 0 ADAERN COc1c(C)c(C)cc(CON)c1O 257993940 573290481 /nfs/dbraw/zinc/29/04/81/573290481.db2.gz FSKDNNMXPCVBFN-UHFFFAOYSA-N 0 0 197.234 1.408 10 0 ADAERN COCC1CCC(C(=O)OC)CC1 230617672 573290434 /nfs/dbraw/zinc/29/04/34/573290434.db2.gz YBZZSJGABIGHJX-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN C[C@@H](F)c1ccc(O)c(CON)c1 257994061 573290436 /nfs/dbraw/zinc/29/04/36/573290436.db2.gz FVCNBCCXFUFVSZ-ZCFIWIBFSA-N 0 0 185.198 1.813 10 0 ADAERN CCOC(=O)c1nc(C)[nH]c1COC 259406080 573290276 /nfs/dbraw/zinc/29/02/76/573290276.db2.gz HJCGWUNNHMZQLW-UHFFFAOYSA-N 0 0 198.222 1.041 10 0 ADAERN CCc1cc(N)ccc1NC(N)=S 238333786 573290293 /nfs/dbraw/zinc/29/02/93/573290293.db2.gz WWEATFINWBGUNS-UHFFFAOYSA-N 0 0 195.291 1.487 10 0 ADAERN OCc1nccc2cc(F)ccc12 257994922 573290299 /nfs/dbraw/zinc/29/02/99/573290299.db2.gz LCQPDKCCGHPRRO-UHFFFAOYSA-N 0 0 177.178 1.866 10 0 ADAERN Cn1cc(-c2ccc(O)cc2F)cn1 123976821 573290302 /nfs/dbraw/zinc/29/03/02/573290302.db2.gz WXDOTUWABJACKB-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CCOCc1cncc(N)c1 257994241 573290318 /nfs/dbraw/zinc/29/03/18/573290318.db2.gz YFFPIDQIBBWBOW-UHFFFAOYSA-N 0 0 152.197 1.200 10 0 ADAERN Cc1noc2c(F)ccc(N)c12 259404503 573290320 /nfs/dbraw/zinc/29/03/20/573290320.db2.gz LPYFVGDGXPFPEI-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN Cc1cc(O)c(CON)cc1C 257994976 573290443 /nfs/dbraw/zinc/29/04/43/573290443.db2.gz LFJSOQMYITVPRA-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN OC[C@@H]1CCC2CC1C2 211634595 573290349 /nfs/dbraw/zinc/29/03/49/573290349.db2.gz SEJIKXDTKCPZBI-WTIBDHCWSA-N 0 0 126.199 1.415 10 0 ADAERN Cc1cc(C[C@@H](C)O)cc2c1OCO2 257994075 573290350 /nfs/dbraw/zinc/29/03/50/573290350.db2.gz FVUIMXDXUXOUSV-MRVPVSSYSA-N 0 0 194.230 1.647 10 0 ADAERN Cn1cc(N)c(NC(C)(C)C2CC2)n1 236100554 573290354 /nfs/dbraw/zinc/29/03/54/573290354.db2.gz KWFBKEGYYRTCJW-UHFFFAOYSA-N 0 0 194.282 1.603 10 0 ADAERN Cc1cc([C@H]2CC(=O)C[C@@H](C)N2)[nH]n1 74248086 573290358 /nfs/dbraw/zinc/29/03/58/573290358.db2.gz QOMPKUKIAOFAJE-HZGVNTEJSA-N 0 0 193.250 1.100 10 0 ADAERN Cc1ncc([C@H]2CC(=O)C[C@@H](C)N2)o1 74246804 573290381 /nfs/dbraw/zinc/29/03/81/573290381.db2.gz WVTYZOOKTONCGQ-HZGVNTEJSA-N 0 0 194.234 1.365 10 0 ADAERN Cc1c[nH]c([C@@H]2CC(=O)C[C@H](C)N2)n1 74248095 573290408 /nfs/dbraw/zinc/29/04/08/573290408.db2.gz YBQOYMVOKCCOHJ-RCOVLWMOSA-N 0 0 193.250 1.100 10 0 ADAERN Cc1nn(C)c2cccc([C@H](C)O)c12 257994126 573291390 /nfs/dbraw/zinc/29/13/90/573291390.db2.gz FXCVZJOQHKEKSA-QMMMGPOBSA-N 0 0 190.246 1.935 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@@H]1C(C)(C)C 86191958 573291401 /nfs/dbraw/zinc/29/14/01/573291401.db2.gz FNZZCWFKNCGTQO-SFYZADRCSA-N 0 0 197.278 1.721 10 0 ADAERN CC(C)(CO)c1cccc(F)c1O 257994030 573291403 /nfs/dbraw/zinc/29/14/03/573291403.db2.gz FUDHMATZXIQEIR-UHFFFAOYSA-N 0 0 184.210 1.801 10 0 ADAERN COC(=O)[C@@H](O)[C@H]1CCCC=C1C 238324892 573290989 /nfs/dbraw/zinc/29/09/89/573290989.db2.gz VMCFAYWPRMTTHF-IUCAKERBSA-N 0 0 184.235 1.267 10 0 ADAERN CC(=O)[C@@H]1CCC(C)=NN1C 238325574 573290994 /nfs/dbraw/zinc/29/09/94/573290994.db2.gz IOBIKEQTKDGQRW-QMMMGPOBSA-N 0 0 154.213 1.046 10 0 ADAERN CCc1cc(O)c(F)c(C=O)c1 238335336 573291019 /nfs/dbraw/zinc/29/10/19/573291019.db2.gz SIFYERSIQZDZQO-UHFFFAOYSA-N 0 0 168.167 1.906 10 0 ADAERN CN[C@H](c1ccc(OC)cc1)N(C)C 259405464 573291040 /nfs/dbraw/zinc/29/10/40/573291040.db2.gz HLWKKSTXACKOOQ-NSHDSACASA-N 0 0 194.278 1.475 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@@H]1C(C)(C)C 86191959 573291046 /nfs/dbraw/zinc/29/10/46/573291046.db2.gz FNZZCWFKNCGTQO-YUMQZZPRSA-N 0 0 197.278 1.721 10 0 ADAERN COC(=O)Nc1ncc2[nH]ccc2n1 238325365 573291055 /nfs/dbraw/zinc/29/10/55/573291055.db2.gz QEKJXCMFNCREBA-UHFFFAOYSA-N 0 0 192.178 1.136 10 0 ADAERN COC(=N)C(=O)c1ccccc1 238340470 573291063 /nfs/dbraw/zinc/29/10/63/573291063.db2.gz BDKLDVNPDMWCKQ-UHFFFAOYSA-N 0 0 163.176 1.493 10 0 ADAERN Cc1ccc2c(c1)[C@@H]([C@H](C)O)CN2 257994586 573291068 /nfs/dbraw/zinc/29/10/68/573291068.db2.gz IASOBDXBVUFMSB-WCBMZHEXSA-N 0 0 177.247 1.885 10 0 ADAERN CN1C(C)(C)CC(=O)C1(C)C 238324896 573291070 /nfs/dbraw/zinc/29/10/70/573291070.db2.gz ONJJBTRFQLZOSD-UHFFFAOYSA-N 0 0 155.241 1.448 10 0 ADAERN C[C@H](O)Cc1ccc(CNO)cc1 257994934 573291078 /nfs/dbraw/zinc/29/10/78/573291078.db2.gz LDCWWUNMYSEXLD-QMMMGPOBSA-N 0 0 181.235 1.089 10 0 ADAERN CO[C@H]1CCC[C@H]1NCc1cocn1 308541625 573291102 /nfs/dbraw/zinc/29/11/02/573291102.db2.gz UTBWKTWCNKDWGD-ZJUUUORDSA-N 0 0 196.250 1.332 10 0 ADAERN CC[C@H](CO)C1(C2CCC2)COC1 259406500 573291160 /nfs/dbraw/zinc/29/11/60/573291160.db2.gz XVHXWYBMPDWOIF-SECBINFHSA-N 0 0 184.279 1.822 10 0 ADAERN C[C@H]1COc2cccc(F)c2NC1=O 259404138 573291171 /nfs/dbraw/zinc/29/11/71/573291171.db2.gz XKUJWRDGNKOHAA-LURJTMIESA-N 0 0 195.193 1.793 10 0 ADAERN Cc1cc(-c2cc[nH]c2)nc(=O)[nH]1 259072273 573291172 /nfs/dbraw/zinc/29/11/72/573291172.db2.gz LAQGOUCLBGOTFI-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN CN1N(C(C)(C)C)C(=O)NC1(C)C 238325157 573291179 /nfs/dbraw/zinc/29/11/79/573291179.db2.gz QNYGMLKEOQGMCD-UHFFFAOYSA-N 0 0 185.271 1.393 10 0 ADAERN CNc1cc(C(=O)N(C)C)ccc1O 238325601 573291198 /nfs/dbraw/zinc/29/11/98/573291198.db2.gz PLDXYKTVFOYKPL-UHFFFAOYSA-N 0 0 194.234 1.136 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@@H]1C1CC1 86191943 573291203 /nfs/dbraw/zinc/29/12/03/573291203.db2.gz USXBDUUNPHZOBQ-JGVFFNPUSA-N 0 0 181.235 1.085 10 0 ADAERN CO[C@@H](C)CCNc1cc(C)cnn1 308541210 573291218 /nfs/dbraw/zinc/29/12/18/573291218.db2.gz JRZNNYHKVDAPGD-VIFPVBQESA-N 0 0 195.266 1.622 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@@]1(C)C1CC1 86191936 573291371 /nfs/dbraw/zinc/29/13/71/573291371.db2.gz FBCIHYNHPNSXFN-KCJUWKMLSA-N 0 0 195.262 1.475 10 0 ADAERN CCC[C@@]1(C)CC(=O)NC(=O)[C@H]1CC 86191947 573291240 /nfs/dbraw/zinc/29/12/40/573291240.db2.gz MQYXZWAWJPXWMZ-KCJUWKMLSA-N 0 0 197.278 1.866 10 0 ADAERN Cn1ccc2c(F)c(N)c(O)cc21 257994962 573291258 /nfs/dbraw/zinc/29/12/58/573291258.db2.gz LEYHCLKCZSQUMD-UHFFFAOYSA-N 0 0 180.182 1.605 10 0 ADAERN CCC[C@H](O)CN(C)CC(F)(F)F 50193372 573291267 /nfs/dbraw/zinc/29/12/67/573291267.db2.gz LJXGFBVANXDKJD-ZETCQYMHSA-N 0 0 199.216 1.642 10 0 ADAERN CC[C@H]1C(=O)NC(=O)CC12CCCC2 86191993 573291270 /nfs/dbraw/zinc/29/12/70/573291270.db2.gz WHIJQAPCFPGEQH-QMMMGPOBSA-N 0 0 195.262 1.620 10 0 ADAERN CC(C)C[C@H]([NH3+])CC(C)(C)C(=O)[O-] 259404675 573291311 /nfs/dbraw/zinc/29/13/11/573291311.db2.gz OFOQOASYZNCBEL-QMMMGPOBSA-N 0 0 187.283 1.861 10 0 ADAERN CCOc1nc2ccc(O)cc2o1 116528567 573291331 /nfs/dbraw/zinc/29/13/31/573291331.db2.gz ITXDEUCONLATQR-UHFFFAOYSA-N 0 0 179.175 1.932 10 0 ADAERN COC(=O)n1ncc2cccc(C)c21 238325424 573291339 /nfs/dbraw/zinc/29/13/39/573291339.db2.gz WQSPZTYMGVQLCL-UHFFFAOYSA-N 0 0 190.202 1.959 10 0 ADAERN CSCCC[C@H]1CCCNC1=O 132369398 573296875 /nfs/dbraw/zinc/29/68/75/573296875.db2.gz CSLQAKVNBYWHFG-MRVPVSSYSA-N 0 0 187.308 1.656 10 0 ADAERN CCc1cncc(C)c1C(=O)OC 238324648 573292126 /nfs/dbraw/zinc/29/21/26/573292126.db2.gz ZGZIRIWNPYLDIY-UHFFFAOYSA-N 0 0 179.219 1.739 10 0 ADAERN CCc1cncc(N)c1C(C)=O 238325023 573292128 /nfs/dbraw/zinc/29/21/28/573292128.db2.gz KHCZKJBKFNBNMV-UHFFFAOYSA-N 0 0 164.208 1.429 10 0 ADAERN COCn1ccnc1C(C)(C)C 238340435 573292135 /nfs/dbraw/zinc/29/21/35/573292135.db2.gz PMDOEXDWQPWWLY-UHFFFAOYSA-N 0 0 168.240 1.785 10 0 ADAERN COc1ccc2cc(CON)oc2c1 257998387 573292137 /nfs/dbraw/zinc/29/21/37/573292137.db2.gz BUWUIZIBDUCGRI-UHFFFAOYSA-N 0 0 193.202 1.832 10 0 ADAERN Cn1cc(-c2cc(N)cc(O)c2)cn1 116551323 573292146 /nfs/dbraw/zinc/29/21/46/573292146.db2.gz MXPGNJCCMIEDIQ-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN Cn1cnc2c(NC3CC3)nccc21 236111806 573293792 /nfs/dbraw/zinc/29/37/92/573293792.db2.gz OJBUBLMQEBWTKH-UHFFFAOYSA-N 0 0 188.234 1.543 10 0 ADAERN CCC[C@]1(C)CC(=O)NC(=O)[C@@H]1CC 86191944 573292182 /nfs/dbraw/zinc/29/21/82/573292182.db2.gz MQYXZWAWJPXWMZ-GZMMTYOYSA-N 0 0 197.278 1.866 10 0 ADAERN Cn1cc([C@@H](O)[C@H]2CC2(C)C)cn1 236111619 573292191 /nfs/dbraw/zinc/29/21/91/573292191.db2.gz ABUIDUOPEHKWKH-RKDXNWHRSA-N 0 0 180.251 1.500 10 0 ADAERN NOCc1c[nH]c2c(O)cccc12 257995893 573292198 /nfs/dbraw/zinc/29/21/98/573292198.db2.gz BPWVTQWQLLSDGE-UHFFFAOYSA-N 0 0 178.191 1.264 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2cc(O)ccc2S1 258282156 573293794 /nfs/dbraw/zinc/29/37/94/573293794.db2.gz ZPWWOERROWQRNE-LDWIPMOCSA-N 0 0 196.271 1.790 10 0 ADAERN CC(C)OCSC[C@@H](C)CO 393582064 573292237 /nfs/dbraw/zinc/29/22/37/573292237.db2.gz JNMDOIPFKUHLRV-QMMMGPOBSA-N 0 0 178.297 1.731 10 0 ADAERN C[NH2+][C@H](C)c1ccc([O-])c(F)c1F 238335321 573292258 /nfs/dbraw/zinc/29/22/58/573292258.db2.gz BBNAEHOKQZVEHQ-RXMQYKEDSA-N 0 0 187.189 1.951 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)CC1(CC)CC 86191930 573292284 /nfs/dbraw/zinc/29/22/84/573292284.db2.gz CGKAUGQEOLIIIN-MRVPVSSYSA-N 0 0 197.278 1.866 10 0 ADAERN Cc1cc(F)c(O)c(C[C@H](C)O)c1 257996693 573292287 /nfs/dbraw/zinc/29/22/87/573292287.db2.gz GCDLKTPWWMKQHC-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN C[C@H]1Cc2ccc(C=O)cc2N1 257997148 573292321 /nfs/dbraw/zinc/29/23/21/573292321.db2.gz IEUCESZLUYTMKE-ZETCQYMHSA-N 0 0 161.204 1.856 10 0 ADAERN Cn1ccc([C@H](O)[C@H]2CC2(C)C)n1 236112304 573292290 /nfs/dbraw/zinc/29/22/90/573292290.db2.gz LKZXDAWPGKWBFE-VXNVDRBHSA-N 0 0 180.251 1.500 10 0 ADAERN Cn1nnc2ccc(C(C)(C)O)cc21 257996624 573292303 /nfs/dbraw/zinc/29/23/03/573292303.db2.gz FZYQUJAVLNVTKB-UHFFFAOYSA-N 0 0 191.234 1.196 10 0 ADAERN COc1c(C)c(CON)cc(C)c1O 257996568 573292308 /nfs/dbraw/zinc/29/23/08/573292308.db2.gz FZEHIAAXZDOBPT-UHFFFAOYSA-N 0 0 197.234 1.408 10 0 ADAERN Cn1ccc([C@H](O)[C@@H]2CC2(C)C)n1 236112203 573292329 /nfs/dbraw/zinc/29/23/29/573292329.db2.gz LKZXDAWPGKWBFE-IONNQARKSA-N 0 0 180.251 1.500 10 0 ADAERN CC[C@@H](C)[C@@H](O)C1(OC)CCC1 132345846 573292360 /nfs/dbraw/zinc/29/23/60/573292360.db2.gz BWZRFMGXPFIUNL-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1O)CCC2 257996753 573292362 /nfs/dbraw/zinc/29/23/62/573292362.db2.gz GCZXUEJJHWLRIU-MRVPVSSYSA-N 0 0 192.258 1.804 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@]1(C)C1CC1 86191939 573293857 /nfs/dbraw/zinc/29/38/57/573293857.db2.gz FBCIHYNHPNSXFN-GZMMTYOYSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H](O)[C@H]1Cc2cc(O)ccc2S1 258282159 573292386 /nfs/dbraw/zinc/29/23/86/573292386.db2.gz ZPWWOERROWQRNE-LHLIQPBNSA-N 0 0 196.271 1.790 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)c1ccns1 690036898 573292387 /nfs/dbraw/zinc/29/23/87/573292387.db2.gz WOHPAPIQBBAUNA-RNFRBKRXSA-N 0 0 197.259 1.751 10 0 ADAERN COC[C@H](C(=O)OC)c1ccco1 257997803 573292388 /nfs/dbraw/zinc/29/23/88/573292388.db2.gz DPEBOLJJMWZKBD-ZETCQYMHSA-N 0 0 184.191 1.183 10 0 ADAERN Cn1cc(C[C@@H](O)[C@@H]2CC2(C)C)cn1 236114543 573293828 /nfs/dbraw/zinc/29/38/28/573293828.db2.gz AIMSQUWQDPNWGN-VHSXEESVSA-N 0 0 194.278 1.370 10 0 ADAERN CC1(C)C[C@H](O)CN1C(=O)C1CCC1 259071432 573292396 /nfs/dbraw/zinc/29/23/96/573292396.db2.gz IHEBVLTZAZXILL-VIFPVBQESA-N 0 0 197.278 1.158 10 0 ADAERN COCCON=C1CCCCCN1 106139622 573293829 /nfs/dbraw/zinc/29/38/29/573293829.db2.gz CNBBTAKOBKUJMA-UHFFFAOYSA-N 0 0 186.255 1.127 10 0 ADAERN CC(=O)c1cc(C[C@H]2CCCO2)on1 259404201 573292429 /nfs/dbraw/zinc/29/24/29/573292429.db2.gz XLNCTSZLZVCULQ-MRVPVSSYSA-N 0 0 195.218 1.599 10 0 ADAERN CO[C@@H]1C[C@H](C)C(=O)C[C@@H]1C 238335322 573292442 /nfs/dbraw/zinc/29/24/42/573292442.db2.gz NSIZFRBZSPXGBX-ACLDMZEESA-N 0 0 156.225 1.637 10 0 ADAERN CCN1C(=O)CNc2c(N)cccc21 259404121 573292450 /nfs/dbraw/zinc/29/24/50/573292450.db2.gz XKRPVCILCBISFZ-UHFFFAOYSA-N 0 0 191.234 1.047 10 0 ADAERN Cc1ccc(-c2cc(N)n[nH]2)c(O)c1 257996556 573292465 /nfs/dbraw/zinc/29/24/65/573292465.db2.gz FYXUUCBHZLTWTN-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN CC(C)Cc1cc(CO)n(C)n1 259404195 573292475 /nfs/dbraw/zinc/29/24/75/573292475.db2.gz XLKHBUCQVRFHPP-UHFFFAOYSA-N 0 0 168.240 1.111 10 0 ADAERN CO[C@@H]1CCC[C@H]2C(=O)CC[C@H]12 238324649 573292479 /nfs/dbraw/zinc/29/24/79/573292479.db2.gz VNTMKQVHLMVRJM-KHQFGBGNSA-N 0 0 168.236 1.781 10 0 ADAERN [NH3+]Cc1cc(-c2ccco2)ncc1[O-] 258622209 573292717 /nfs/dbraw/zinc/29/27/17/573292717.db2.gz PGEFCXLZJHMFKS-UHFFFAOYSA-N 0 0 190.202 1.506 10 0 ADAERN Oc1ccc(O)c(CC2(O)CC2)c1 257996987 573292547 /nfs/dbraw/zinc/29/25/47/573292547.db2.gz LIJKBUNQKQBJFX-UHFFFAOYSA-N 0 0 180.203 1.165 10 0 ADAERN C[NH2+]CC12CCC(C(=O)[O-])(CC1)CC2 238324676 573292548 /nfs/dbraw/zinc/29/25/48/573292548.db2.gz LPRZNDPUSNLDJI-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN CC(C)CC[C@@H](C)C(O)O 116522869 573292549 /nfs/dbraw/zinc/29/25/49/573292549.db2.gz LNRLHPOJPIZRLV-SSDOTTSWSA-N 0 0 146.230 1.369 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@@H]1C(C)C 86192019 573292555 /nfs/dbraw/zinc/29/25/55/573292555.db2.gz KYZVYIDPGPOJRY-JGVFFNPUSA-N 0 0 183.251 1.331 10 0 ADAERN COc1c[nH]c(=O)c(C(F)F)c1N 238341054 573292563 /nfs/dbraw/zinc/29/25/63/573292563.db2.gz JWQBVYUVUCNPSW-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CCN1CCc2ccc(CCO)cc21 258282181 573292591 /nfs/dbraw/zinc/29/25/91/573292591.db2.gz VHEUXPCZUOQSCO-UHFFFAOYSA-N 0 0 191.274 1.604 10 0 ADAERN OC/C=C\[C@@H]1CCSC1 258253161 573292621 /nfs/dbraw/zinc/29/26/21/573292621.db2.gz QUWVMCVCZUMNSX-TWJVDONLSA-N 0 0 144.239 1.288 10 0 ADAERN Cc1ccc2c(c1)-c1nc(N)ncc1C2 129451178 573293834 /nfs/dbraw/zinc/29/38/34/573293834.db2.gz QZYLFPQOPZFZCD-UHFFFAOYSA-N 0 0 197.241 1.938 10 0 ADAERN COc1ccc(-n2cccn2)c(N)c1 74276293 573292642 /nfs/dbraw/zinc/29/26/42/573292642.db2.gz NKEQYLGLSLDKLY-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@H]1C1CC1 86191940 573292654 /nfs/dbraw/zinc/29/26/54/573292654.db2.gz USXBDUUNPHZOBQ-SFYZADRCSA-N 0 0 181.235 1.085 10 0 ADAERN CC(=O)[C@H]1CCC(C)=NN1C 238325556 573293838 /nfs/dbraw/zinc/29/38/38/573293838.db2.gz IOBIKEQTKDGQRW-MRVPVSSYSA-N 0 0 154.213 1.046 10 0 ADAERN C[C@H](O)c1ccc2nc(N)cnc2c1 257996533 573292685 /nfs/dbraw/zinc/29/26/85/573292685.db2.gz FYSOLLLFPIVCRB-LURJTMIESA-N 0 0 189.218 1.265 10 0 ADAERN c1nocc1OC1CCOCC1 257995403 573292692 /nfs/dbraw/zinc/29/26/92/573292692.db2.gz ABNOCENYAKSFJI-UHFFFAOYSA-N 0 0 169.180 1.232 10 0 ADAERN OC/C=C\[C@H]1CCSC1 258253162 573292736 /nfs/dbraw/zinc/29/27/36/573292736.db2.gz QUWVMCVCZUMNSX-XRHZSYRXSA-N 0 0 144.239 1.288 10 0 ADAERN C[C@H]1C[NH2+]C[C@H](c2cccnc2)N1C 74271377 573292815 /nfs/dbraw/zinc/29/28/15/573292815.db2.gz DGCHJYJARIBGGN-GXSJLCMTSA-N 0 0 191.278 1.046 10 0 ADAERN COC(=O)[C@H](NC(C)C)C1(C)CCC1 686135341 573292823 /nfs/dbraw/zinc/29/28/23/573292823.db2.gz GMPVSTRWPPCTBC-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@@H]1C(C)C 86192018 573292829 /nfs/dbraw/zinc/29/28/29/573292829.db2.gz KYZVYIDPGPOJRY-HTQZYQBOSA-N 0 0 183.251 1.331 10 0 ADAERN CN(C)c1cccc(F)c1CNO 257996646 573292831 /nfs/dbraw/zinc/29/28/31/573292831.db2.gz GASYSGBPZZITAZ-UHFFFAOYSA-N 0 0 184.214 1.371 10 0 ADAERN Cc1ccc2c(c1CNO)OCO2 257996980 573293842 /nfs/dbraw/zinc/29/38/42/573293842.db2.gz LIHTVJWDOOKWNH-UHFFFAOYSA-N 0 0 181.191 1.203 10 0 ADAERN CNc1c(C=O)cc(C)cc1OC 238324806 573292858 /nfs/dbraw/zinc/29/28/58/573292858.db2.gz CNVLQHWHSBBSTJ-UHFFFAOYSA-N 0 0 179.219 1.858 10 0 ADAERN FC(F)CNC/C=C/Cl 236118679 573292863 /nfs/dbraw/zinc/29/28/63/573292863.db2.gz OHHIYCDKAWYXPI-OWOJBTEDSA-N 0 0 155.575 1.594 10 0 ADAERN Cc1ccc(-c2nc(N)no2)c(C)c1 74276089 573292865 /nfs/dbraw/zinc/29/28/65/573292865.db2.gz ROZLYINAZXQRFT-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1ccc(Cc2nc(N)no2)cc1 74276085 573292873 /nfs/dbraw/zinc/29/28/73/573292873.db2.gz WXIIOZTYRRMAMZ-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@H]1C(C)C 86192017 573292884 /nfs/dbraw/zinc/29/28/84/573292884.db2.gz KYZVYIDPGPOJRY-YUMQZZPRSA-N 0 0 183.251 1.331 10 0 ADAERN Cc1cc(N)c(C)nc1OC(F)F 116520514 573292886 /nfs/dbraw/zinc/29/28/86/573292886.db2.gz GXMVPALWHCNGRB-UHFFFAOYSA-N 0 0 188.177 1.882 10 0 ADAERN CNc1c(O)cccc1C=O 238324673 573292907 /nfs/dbraw/zinc/29/29/07/573292907.db2.gz SYCVUWSFNVQGSC-UHFFFAOYSA-N 0 0 151.165 1.246 10 0 ADAERN CCc1cncc(N)c1C=O 238325126 573292914 /nfs/dbraw/zinc/29/29/14/573292914.db2.gz WWPXLJSRNUJRMP-UHFFFAOYSA-N 0 0 150.181 1.039 10 0 ADAERN CN(CC1CCOCC1)C(=O)S 258622844 573292926 /nfs/dbraw/zinc/29/29/26/573292926.db2.gz CLMDYVNDLVKNNR-UHFFFAOYSA-N 0 0 189.280 1.395 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)CC12CCC2 86192026 573292931 /nfs/dbraw/zinc/29/29/31/573292931.db2.gz ORHFBXUOHZJEGR-SSDOTTSWSA-N 0 0 181.235 1.229 10 0 ADAERN Nc1ncc(Cl)c(CO)c1Cl 116530817 573292944 /nfs/dbraw/zinc/29/29/44/573292944.db2.gz OKOBHCVFRIQETI-UHFFFAOYSA-N 0 0 193.033 1.463 10 0 ADAERN CCO[C@H]1C[C@H]1C(=O)c1ccns1 690036899 573292948 /nfs/dbraw/zinc/29/29/48/573292948.db2.gz WOHPAPIQBBAUNA-RQJHMYQMSA-N 0 0 197.259 1.751 10 0 ADAERN c1nocc1OC[C@H]1CCOC1 258622669 573292954 /nfs/dbraw/zinc/29/29/54/573292954.db2.gz RGTAGFFVRQTMNB-ZETCQYMHSA-N 0 0 169.180 1.090 10 0 ADAERN c1nscc1O[C@H]1CCCOC1 257995719 573292972 /nfs/dbraw/zinc/29/29/72/573292972.db2.gz ADTZHTFGFLJWSO-ZETCQYMHSA-N 0 0 185.248 1.701 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@@]1(C)CC 86192009 573292983 /nfs/dbraw/zinc/29/29/83/573292983.db2.gz XNOMNUJUGIYFIF-OIBJUYFYSA-N 0 0 183.251 1.475 10 0 ADAERN NOCc1coc2cc(O)ccc12 258282004 573293023 /nfs/dbraw/zinc/29/30/23/573293023.db2.gz TYVKVPWLOQCXBV-UHFFFAOYSA-N 0 0 179.175 1.529 10 0 ADAERN Cn1ccc(C[C@@H](O)[C@@H]2CC2(C)C)n1 236111800 573293025 /nfs/dbraw/zinc/29/30/25/573293025.db2.gz KZFKUWWKWINNMM-VHSXEESVSA-N 0 0 194.278 1.370 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@]1(C)C1CC1 86191938 573293038 /nfs/dbraw/zinc/29/30/38/573293038.db2.gz FBCIHYNHPNSXFN-LDYMZIIASA-N 0 0 195.262 1.475 10 0 ADAERN C[C@H]1C[NH2+]C[C@@H](c2ccncc2)N1C 74271385 573293057 /nfs/dbraw/zinc/29/30/57/573293057.db2.gz FFBKWGXMXNBKSL-ONGXEEELSA-N 0 0 191.278 1.046 10 0 ADAERN COCc1ccc2c(c1)CCC2=O 238335197 573293059 /nfs/dbraw/zinc/29/30/59/573293059.db2.gz JCJCTDILQWHLNE-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN C[NH2+][C@@H](c1ccccc1)[P@@H](=O)[O-] 106048922 573293060 /nfs/dbraw/zinc/29/30/60/573293060.db2.gz ZSZSVZXCDWUDRC-MRVPVSSYSA-N 0 0 185.163 1.372 10 0 ADAERN O=c1cc2c(c[nH]1)[nH]c1ncccc12 116522976 573293061 /nfs/dbraw/zinc/29/30/61/573293061.db2.gz VYGFUNAYPSNQGZ-UHFFFAOYSA-N 0 0 185.186 1.817 10 0 ADAERN CC(C)CC[C@H](C)C(O)O 116522871 573293078 /nfs/dbraw/zinc/29/30/78/573293078.db2.gz LNRLHPOJPIZRLV-ZETCQYMHSA-N 0 0 146.230 1.369 10 0 ADAERN CC(C)(C)c1nnc2n1[C@@H](O)CCC2 257996248 573293082 /nfs/dbraw/zinc/29/30/82/573293082.db2.gz AWJHONJTHGYOIS-QMMMGPOBSA-N 0 0 195.266 1.403 10 0 ADAERN Cc1c(C=O)nc2[nH]c(C(C)C)cn12 74272737 573293159 /nfs/dbraw/zinc/29/31/59/573293159.db2.gz ZFFBONHTOZGFQX-UHFFFAOYSA-N 0 0 191.234 1.907 10 0 ADAERN COc1cc(CCO)cc(C)c1C 257996952 573293164 /nfs/dbraw/zinc/29/31/64/573293164.db2.gz LHLTYOIKTABFSS-UHFFFAOYSA-N 0 0 180.247 1.847 10 0 ADAERN CCSCCC[C@@H]1CCNC1=O 132371254 573293167 /nfs/dbraw/zinc/29/31/67/573293167.db2.gz IONRLRDWBQNEJV-MRVPVSSYSA-N 0 0 187.308 1.656 10 0 ADAERN C[C@H]1C[NH2+]C[C@@H](c2cccnc2)N1C 74271380 573293169 /nfs/dbraw/zinc/29/31/69/573293169.db2.gz DGCHJYJARIBGGN-ONGXEEELSA-N 0 0 191.278 1.046 10 0 ADAERN CCOc1ccc(C)cc1CON 257997157 573293186 /nfs/dbraw/zinc/29/31/86/573293186.db2.gz LMODIHQZYDTPHR-UHFFFAOYSA-N 0 0 181.235 1.784 10 0 ADAERN C[NH2+][C@@H](C)c1ccncc1[O-] 238335311 573293191 /nfs/dbraw/zinc/29/31/91/573293191.db2.gz VDRVAGSOWDMVBW-LURJTMIESA-N 0 0 152.197 1.068 10 0 ADAERN OC[C@H](CC1COC1)c1ccccn1 258621538 573293193 /nfs/dbraw/zinc/29/31/93/573293193.db2.gz QEAAKCCPFDYLRF-JTQLQIEISA-N 0 0 193.246 1.194 10 0 ADAERN CC1=NC(=O)N(c2ccccc2)C1N 106156686 573293197 /nfs/dbraw/zinc/29/31/97/573293197.db2.gz BRBIMTJGZFKBGF-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN Cc1nccc([C@@H]([NH3+])C2CCCC2)n1 74271293 573293199 /nfs/dbraw/zinc/29/31/99/573293199.db2.gz AZZTWALEOBCTQV-NSHDSACASA-N 0 0 191.278 1.975 10 0 ADAERN CC[C@]1(C)CCNC(=O)O1 258622623 573293865 /nfs/dbraw/zinc/29/38/65/573293865.db2.gz WXIDOVKMEKNWHV-SSDOTTSWSA-N 0 0 143.186 1.285 10 0 ADAERN Cn1cc([C@@H](O)[C@@H]2CC2(C)C)cn1 236111448 573293225 /nfs/dbraw/zinc/29/32/25/573293225.db2.gz ABUIDUOPEHKWKH-DTWKUNHWSA-N 0 0 180.251 1.500 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)CC12CCCC2 86191992 573293260 /nfs/dbraw/zinc/29/32/60/573293260.db2.gz WHIJQAPCFPGEQH-MRVPVSSYSA-N 0 0 195.262 1.620 10 0 ADAERN CCc1cncc(C)c1C=O 238324679 573293263 /nfs/dbraw/zinc/29/32/63/573293263.db2.gz XQKROZDZXCTGIR-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN C[C@H]1C[NH2+]C[C@@H](c2ccccn2)N1C 74271368 573293270 /nfs/dbraw/zinc/29/32/70/573293270.db2.gz IKVKRTXSJLGVQU-ONGXEEELSA-N 0 0 191.278 1.046 10 0 ADAERN CCC1=N[C@@H]2C[C@@H](O)CC[C@@H]2O1 257995285 573293335 /nfs/dbraw/zinc/29/33/35/573293335.db2.gz OKTFYOKTIUWUCZ-RNJXMRFFSA-N 0 0 169.224 1.107 10 0 ADAERN CCCC[C@]1(O)C[C@H]1C 86196865 573295408 /nfs/dbraw/zinc/29/54/08/573295408.db2.gz XQLAPCKMJWWSEM-SFYZADRCSA-N 0 0 128.215 1.948 10 0 ADAERN CN[C@H](c1ccc[nH]1)C(F)(F)F 238325050 573293348 /nfs/dbraw/zinc/29/33/48/573293348.db2.gz ADDGFJYIIVNZAR-ZCFIWIBFSA-N 0 0 178.157 1.838 10 0 ADAERN Cc1cccc2c1[C@H]([C@@H](C)O)CN2 257998436 573293395 /nfs/dbraw/zinc/29/33/95/573293395.db2.gz BWMZZUYCOCOAMZ-BDAKNGLRSA-N 0 0 177.247 1.885 10 0 ADAERN COc1ccc(C)cc1NC(=O)C=O 258621795 573293398 /nfs/dbraw/zinc/29/33/98/573293398.db2.gz CGGUCLNAZXKHAA-UHFFFAOYSA-N 0 0 193.202 1.141 10 0 ADAERN CC(C)(C)C[C@@H]1C[NH2+][C@H](C(=O)[O-])C1 257996831 573293400 /nfs/dbraw/zinc/29/34/00/573293400.db2.gz ACXFTCOXFJGMGH-SFYZADRCSA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@H]1C(C)(C)C 86191957 573293801 /nfs/dbraw/zinc/29/38/01/573293801.db2.gz FNZZCWFKNCGTQO-JGVFFNPUSA-N 0 0 197.278 1.721 10 0 ADAERN C[C@H]1CC(=O)C[C@H](c2cccnc2)N1 74274384 573293403 /nfs/dbraw/zinc/29/34/03/573293403.db2.gz SEHDVCJEXREQPJ-GZMMTYOYSA-N 0 0 190.246 1.464 10 0 ADAERN CNOCCOc1ccccc1C 257995415 573293803 /nfs/dbraw/zinc/29/38/03/573293803.db2.gz PUSWNSWOZXSMMB-UHFFFAOYSA-N 0 0 181.235 1.525 10 0 ADAERN Cc1[nH]c2cc[nH+]cc2c1CC(=O)[O-] 74275050 573293435 /nfs/dbraw/zinc/29/34/35/573293435.db2.gz RYDKGPQQLJKRFU-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN C[C@H](O)[C@H]1Cc2cc(O)ccc2S1 258282163 573293436 /nfs/dbraw/zinc/29/34/36/573293436.db2.gz ZPWWOERROWQRNE-QUBYGPBYSA-N 0 0 196.271 1.790 10 0 ADAERN O=C1Nc2c(O)cccc2NC12CC2 259406671 573293442 /nfs/dbraw/zinc/29/34/42/573293442.db2.gz XNPNHDXPIHMMTH-UHFFFAOYSA-N 0 0 190.202 1.289 10 0 ADAERN CNc1cc(=S)[nH]c(=S)[nH]1 238325287 573293473 /nfs/dbraw/zinc/29/34/73/573293473.db2.gz SXKZJAMHKUCACW-UHFFFAOYSA-N 0 0 173.266 1.843 10 0 ADAERN COc1cc(C)c(O)c(CON)c1 257996641 573293478 /nfs/dbraw/zinc/29/34/78/573293478.db2.gz GAJQZAXTYMACKG-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN CC(=O)Cn1cc(OC(C)(C)C)cn1 257998306 573293518 /nfs/dbraw/zinc/29/35/18/573293518.db2.gz PZGCCVZLERAMIK-UHFFFAOYSA-N 0 0 196.250 1.649 10 0 ADAERN C[C@@H]1CC(=O)C[C@H](c2cccnc2)N1 74274382 573293542 /nfs/dbraw/zinc/29/35/42/573293542.db2.gz SEHDVCJEXREQPJ-LDYMZIIASA-N 0 0 190.246 1.464 10 0 ADAERN CCC1=N[C@@H]2C[C@@H](O)CC[C@H]2O1 257995288 573293547 /nfs/dbraw/zinc/29/35/47/573293547.db2.gz OKTFYOKTIUWUCZ-XLPZGREQSA-N 0 0 169.224 1.107 10 0 ADAERN Cc1ccc(C)c(-c2nc(N)no2)c1 74276082 573293555 /nfs/dbraw/zinc/29/35/55/573293555.db2.gz SNKCMIREPZNUBE-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC1(C)Cc2cccc(CON)c2O1 257996651 573293810 /nfs/dbraw/zinc/29/38/10/573293810.db2.gz GAVPHXYXZJRVDO-UHFFFAOYSA-N 0 0 193.246 1.790 10 0 ADAERN C[C@H]1Cc2c(CON)cccc2N1 257997273 573293561 /nfs/dbraw/zinc/29/35/61/573293561.db2.gz IGSXIAVGHHHSAH-ZETCQYMHSA-N 0 0 178.235 1.433 10 0 ADAERN CNc1ncc(Cc2ccco2)o1 258621607 573293563 /nfs/dbraw/zinc/29/35/63/573293563.db2.gz QGQSXVCVRWSZMD-UHFFFAOYSA-N 0 0 178.191 1.900 10 0 ADAERN COc1ccc(-n2ccnc2)c(N)c1 74276258 573293594 /nfs/dbraw/zinc/29/35/94/573293594.db2.gz VXPCXFOVBFNPRK-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN C[C@@H]1Cc2ccc(C=O)cc2N1 257997145 573293636 /nfs/dbraw/zinc/29/36/36/573293636.db2.gz IEUCESZLUYTMKE-SSDOTTSWSA-N 0 0 161.204 1.856 10 0 ADAERN CCc1cc(O)c(F)c(C(N)=O)c1 238335299 573293656 /nfs/dbraw/zinc/29/36/56/573293656.db2.gz DVZPLTSXAYVWMG-UHFFFAOYSA-N 0 0 183.182 1.193 10 0 ADAERN OCc1ccc(CC2(O)CC2)cc1 259405449 573293657 /nfs/dbraw/zinc/29/36/57/573293657.db2.gz JKFUMWZAKNIHNV-UHFFFAOYSA-N 0 0 178.231 1.246 10 0 ADAERN Cc1cccc2c1[C@H]([C@H](C)O)CN2 257998440 573293664 /nfs/dbraw/zinc/29/36/64/573293664.db2.gz BWMZZUYCOCOAMZ-IUCAKERBSA-N 0 0 177.247 1.885 10 0 ADAERN COC(=O)n1ccc2c1CCCC2=O 238325466 573293669 /nfs/dbraw/zinc/29/36/69/573293669.db2.gz RIEKSBZHIOMZLW-UHFFFAOYSA-N 0 0 193.202 1.622 10 0 ADAERN Cc1cccc([C@H]2CC(=O)CCN2)n1 74274217 573293688 /nfs/dbraw/zinc/29/36/88/573293688.db2.gz RHBRMMRBLOETOA-LLVKDONJSA-N 0 0 190.246 1.384 10 0 ADAERN Clc1cnnc(-c2cc[nH]c2)n1 259404346 573293695 /nfs/dbraw/zinc/29/36/95/573293695.db2.gz YVEDJYQCGMCKTG-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN OCC1(c2cc[nH]c2)CCC1 259071855 573293699 /nfs/dbraw/zinc/29/36/99/573293699.db2.gz BZFYUQYAZSBVSP-UHFFFAOYSA-N 0 0 151.209 1.429 10 0 ADAERN COC(=O)[C@@H](NC(C)C)C1(C)CCC1 686135340 573293703 /nfs/dbraw/zinc/29/37/03/573293703.db2.gz GMPVSTRWPPCTBC-SECBINFHSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@H]1C(C)(C)C 86191956 573293704 /nfs/dbraw/zinc/29/37/04/573293704.db2.gz FNZZCWFKNCGTQO-HTQZYQBOSA-N 0 0 197.278 1.721 10 0 ADAERN NC(=O)CCc1cccc2c1NCC2 257997003 573293737 /nfs/dbraw/zinc/29/37/37/573293737.db2.gz FWJUVVDLWOOXLW-UHFFFAOYSA-N 0 0 190.246 1.073 10 0 ADAERN Cn1[nH]c(=O)c2ccc(F)cc21 258622579 573293739 /nfs/dbraw/zinc/29/37/39/573293739.db2.gz WWUUCTKGZVSBMV-UHFFFAOYSA-N 0 0 166.155 1.006 10 0 ADAERN CC(C)(C)C[C@@H]1C[NH2+][C@@H](C(=O)[O-])C1 257996828 573293746 /nfs/dbraw/zinc/29/37/46/573293746.db2.gz ACXFTCOXFJGMGH-HTQZYQBOSA-N 0 0 185.267 1.485 10 0 ADAERN Cn1cc(OC[C@@H]2CCCS2)cn1 257995348 573293763 /nfs/dbraw/zinc/29/37/63/573293763.db2.gz AAYRHFQTGZBKNA-VIFPVBQESA-N 0 0 198.291 1.695 10 0 ADAERN CCc1cc(Cl)c(=O)[nH]c1C 238324981 573293772 /nfs/dbraw/zinc/29/37/72/573293772.db2.gz VILULKFPVZUXOS-UHFFFAOYSA-N 0 0 171.627 1.899 10 0 ADAERN C[C@H](O)Cc1noc(C(C)(C)C)n1 257998044 573295268 /nfs/dbraw/zinc/29/52/68/573295268.db2.gz LZBGPBBHQZIDAP-LURJTMIESA-N 0 0 184.239 1.290 10 0 ADAERN CCSCC[C@@H](CC[NH3+])C(=O)[O-] 132376845 573296409 /nfs/dbraw/zinc/29/64/09/573296409.db2.gz DGBJNQXYZMQISV-SSDOTTSWSA-N 0 0 191.296 1.179 10 0 ADAERN [NH3+][C@@H](c1ccccc1)c1cc(=O)[n-]o1 74275169 573295437 /nfs/dbraw/zinc/29/54/37/573295437.db2.gz KMOIYTKYHFUJAF-JTQLQIEISA-N 0 0 190.202 1.428 10 0 ADAERN Nc1ccnc(SC2COC2)c1 86194822 573295445 /nfs/dbraw/zinc/29/54/45/573295445.db2.gz IDRHLCQAIIUTLX-UHFFFAOYSA-N 0 0 182.248 1.155 10 0 ADAERN O=C1CC[C@H](SC2COC2)C1 86195490 573295384 /nfs/dbraw/zinc/29/53/84/573295384.db2.gz RFAWOEYIUWGBQN-ZETCQYMHSA-N 0 0 172.249 1.240 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)OCOC2 257996633 573294983 /nfs/dbraw/zinc/29/49/83/573294983.db2.gz GAEQWPWLUIXOOV-MRVPVSSYSA-N 0 0 194.230 1.649 10 0 ADAERN Nc1ccc(F)cc1SC1COC1 86194885 573294988 /nfs/dbraw/zinc/29/49/88/573294988.db2.gz BYRQKMJVOCKUEX-UHFFFAOYSA-N 0 0 199.250 1.899 10 0 ADAERN Nc1c(F)cccc1SC1COC1 86194845 573294996 /nfs/dbraw/zinc/29/49/96/573294996.db2.gz BWRMQOSHUYXLDU-UHFFFAOYSA-N 0 0 199.250 1.899 10 0 ADAERN CCCC[C@@]1(O)C[C@@H]1C 86196864 573295017 /nfs/dbraw/zinc/29/50/17/573295017.db2.gz XQLAPCKMJWWSEM-JGVFFNPUSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@@H]1Nc2c(N)cccc2N(C)C1=O 259406793 573295024 /nfs/dbraw/zinc/29/50/24/573295024.db2.gz XPJDXQUOEPNLMN-LURJTMIESA-N 0 0 191.234 1.046 10 0 ADAERN Nc1nc[nH]c1COc1ccccc1 257998458 573295063 /nfs/dbraw/zinc/29/50/63/573295063.db2.gz YSYMOPKRTOQSOO-UHFFFAOYSA-N 0 0 189.218 1.571 10 0 ADAERN COc1c(C=O)ccc2c(C)noc12 259407109 573295474 /nfs/dbraw/zinc/29/54/74/573295474.db2.gz LVKGUDUNGSWWHA-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN C[C@H]1C[C@]1(O)CCc1ccco1 86196685 573295475 /nfs/dbraw/zinc/29/54/75/573295475.db2.gz DZCNACLQSUWRGQ-WCBMZHEXSA-N 0 0 166.220 1.983 10 0 ADAERN N[C@H](F)C1=CCSCC1 258622493 573295066 /nfs/dbraw/zinc/29/50/66/573295066.db2.gz WVOHXCMYJHHTNZ-LURJTMIESA-N 0 0 147.218 1.304 10 0 ADAERN Cc1ccccc1Cc1nc(N)no1 74276086 573295067 /nfs/dbraw/zinc/29/50/67/573295067.db2.gz UNWOJUBIFRBFJR-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1SC1COC1 86195494 573295075 /nfs/dbraw/zinc/29/50/75/573295075.db2.gz UMBVDANIOYZJTD-IMTBSYHQSA-N 0 0 186.276 1.486 10 0 ADAERN Cc1ccnc(SC2COC2)c1N 86194833 573295093 /nfs/dbraw/zinc/29/50/93/573295093.db2.gz LMVDBGLWHULTBK-UHFFFAOYSA-N 0 0 196.275 1.463 10 0 ADAERN CO[C@H]1CC(=O)[C@@H](C(C)C)C1 238335139 573295094 /nfs/dbraw/zinc/29/50/94/573295094.db2.gz DRBUVNZOBSILDQ-HTQZYQBOSA-N 0 0 156.225 1.637 10 0 ADAERN Cn1ccc(C[C@@H](O)[C@H]2CC2(C)C)n1 236111904 573295096 /nfs/dbraw/zinc/29/50/96/573295096.db2.gz KZFKUWWKWINNMM-NXEZZACHSA-N 0 0 194.278 1.370 10 0 ADAERN COC(=O)C/C=C\CCC(C)=O 223100067 573295110 /nfs/dbraw/zinc/29/51/10/573295110.db2.gz XWXYFYVJPYNHCW-HYXAFXHYSA-N 0 0 170.208 1.475 10 0 ADAERN Nc1ccc(SC2COC2)nc1 86194815 573295121 /nfs/dbraw/zinc/29/51/21/573295121.db2.gz TXMNSJUGNKKPAX-UHFFFAOYSA-N 0 0 182.248 1.155 10 0 ADAERN CCc1cc(O)cc(CNOC)c1 257997112 573295127 /nfs/dbraw/zinc/29/51/27/573295127.db2.gz LLSNCMFOYITULL-UHFFFAOYSA-N 0 0 181.235 1.606 10 0 ADAERN CC[C@@]1(C)CCNC(=O)O1 258622627 573295138 /nfs/dbraw/zinc/29/51/38/573295138.db2.gz WXIDOVKMEKNWHV-ZETCQYMHSA-N 0 0 143.186 1.285 10 0 ADAERN O=C(c1ccccc1F)C1(CO)CC1 259071388 573295145 /nfs/dbraw/zinc/29/51/45/573295145.db2.gz DOSOLEUXIGALLS-UHFFFAOYSA-N 0 0 194.205 1.781 10 0 ADAERN C[C@@H]1C[C@@]1(O)CC[C@@H]1CCCO1 86196814 573295150 /nfs/dbraw/zinc/29/51/50/573295150.db2.gz CMZXWPSYQSMUIY-UTLUCORTSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H](O)c1ccc(N2C=NCC2)cc1 257996642 573295156 /nfs/dbraw/zinc/29/51/56/573295156.db2.gz GAQPKKYMKHXSSU-SECBINFHSA-N 0 0 190.246 1.588 10 0 ADAERN C[C@H](CO)c1cc2c(cc1O)OCO2 257996669 573295172 /nfs/dbraw/zinc/29/51/72/573295172.db2.gz GBHDTOCSAGBBHB-ZCFIWIBFSA-N 0 0 196.202 1.217 10 0 ADAERN O=Cc1ccc(SC2COC2)cc1 86196169 573295175 /nfs/dbraw/zinc/29/51/75/573295175.db2.gz UEKZYGMMNABUES-UHFFFAOYSA-N 0 0 194.255 1.990 10 0 ADAERN COc1c(C[C@H](C)O)ccc(C)c1O 257996747 573295178 /nfs/dbraw/zinc/29/51/78/573295178.db2.gz GCZITSVFEKHKCA-QMMMGPOBSA-N 0 0 196.246 1.633 10 0 ADAERN Cc1cc(C(C)(C)C)nc(CCO)n1 259405238 573295199 /nfs/dbraw/zinc/29/51/99/573295199.db2.gz UBJXTUSRICUQKC-UHFFFAOYSA-N 0 0 194.278 1.617 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)OCOC2 257996636 573295201 /nfs/dbraw/zinc/29/52/01/573295201.db2.gz GAEQWPWLUIXOOV-QMMMGPOBSA-N 0 0 194.230 1.649 10 0 ADAERN CNc1cc(Br)no1 238325483 573295202 /nfs/dbraw/zinc/29/52/02/573295202.db2.gz ZNOOWHCYUCTLGC-UHFFFAOYSA-N 0 0 177.001 1.479 10 0 ADAERN O[C@@H]1CCCC[C@@H]1SC1COC1 86195411 573295205 /nfs/dbraw/zinc/29/52/05/573295205.db2.gz FNPWLWKWUHXIQH-BDAKNGLRSA-N 0 0 188.292 1.422 10 0 ADAERN CCC(=O)[C@H](C)SC1COC1 86195545 573295215 /nfs/dbraw/zinc/29/52/15/573295215.db2.gz VSGZTJDWQMYGGM-LURJTMIESA-N 0 0 174.265 1.486 10 0 ADAERN CCC1=N[C@@H]2C[C@H](O)CC[C@@H]2O1 257995282 573295218 /nfs/dbraw/zinc/29/52/18/573295218.db2.gz OKTFYOKTIUWUCZ-PRJMDXOYSA-N 0 0 169.224 1.107 10 0 ADAERN N[C@H](Cc1cccnc1)C(F)(F)F 74275209 573295239 /nfs/dbraw/zinc/29/52/39/573295239.db2.gz NXERDIGARUPHLS-SSDOTTSWSA-N 0 0 190.168 1.514 10 0 ADAERN CN=C1Nc2ccccc2NS1 238325275 573295247 /nfs/dbraw/zinc/29/52/47/573295247.db2.gz GJPHXMKBFACAOS-UHFFFAOYSA-N 0 0 179.248 1.967 10 0 ADAERN OCc1ccccc1SC1COC1 86196212 573295304 /nfs/dbraw/zinc/29/53/04/573295304.db2.gz DPDXPRQLEXTPGE-UHFFFAOYSA-N 0 0 196.271 1.670 10 0 ADAERN CO[C@@H]1CCC[C@@]12CCC[C@@H]2CO 238324780 573295335 /nfs/dbraw/zinc/29/53/35/573295335.db2.gz DTOPRDVJCYKMRM-GMTAPVOTSA-N 0 0 184.279 1.964 10 0 ADAERN Nc1cccc(CSC2COC2)n1 86196041 573295336 /nfs/dbraw/zinc/29/53/36/573295336.db2.gz CZYXQHPCIHGQID-UHFFFAOYSA-N 0 0 196.275 1.296 10 0 ADAERN NOCc1ccc2snnc2c1 257997099 573295339 /nfs/dbraw/zinc/29/53/39/573295339.db2.gz LLJWYWROFOVJAY-UHFFFAOYSA-N 0 0 181.220 1.082 10 0 ADAERN CC[C@]1(O)C[C@H]1C 86196766 573295347 /nfs/dbraw/zinc/29/53/47/573295347.db2.gz QNGGJLIQIQLMQV-RITPCOANSA-N 0 0 100.161 1.167 10 0 ADAERN C[C@@H](O)c1ccc2nc(N)cnc2c1 257996535 573295348 /nfs/dbraw/zinc/29/53/48/573295348.db2.gz FYSOLLLFPIVCRB-ZCFIWIBFSA-N 0 0 189.218 1.265 10 0 ADAERN CC(=O)C[C@H](C)SC1COC1 86195509 573295360 /nfs/dbraw/zinc/29/53/60/573295360.db2.gz LZEBMJHZUKLYMY-ZETCQYMHSA-N 0 0 174.265 1.486 10 0 ADAERN CCCC(=O)CSC1COC1 86195552 573295367 /nfs/dbraw/zinc/29/53/67/573295367.db2.gz AWWXIJLBXXYGFF-UHFFFAOYSA-N 0 0 174.265 1.488 10 0 ADAERN Cc1ccc([C@@H](NN)N(C)C)cc1C 259071476 573296398 /nfs/dbraw/zinc/29/63/98/573296398.db2.gz DPJPPQRGDXTWPV-NSHDSACASA-N 0 0 193.294 1.327 10 0 ADAERN C[C@@H](O)c1coc(-c2ccco2)n1 257998990 573297634 /nfs/dbraw/zinc/29/76/34/573297634.db2.gz INKFDTULDKAXCM-ZCFIWIBFSA-N 0 0 179.175 1.988 10 0 ADAERN CC[C@@H](C)[N@@H+]1C[C@@H](C(=O)[O-])CC1(C)C 259407548 573296290 /nfs/dbraw/zinc/29/62/90/573296290.db2.gz MQNSRIPFPOTZNH-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN OC1(CSC2COC2)CCCC1 86195417 573297638 /nfs/dbraw/zinc/29/76/38/573297638.db2.gz UPYFCZFSTFYBNN-UHFFFAOYSA-N 0 0 188.292 1.424 10 0 ADAERN Cc1cc(F)c(O)c(C[C@@H](C)O)c1 257996691 573296295 /nfs/dbraw/zinc/29/62/95/573296295.db2.gz GCDLKTPWWMKQHC-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN [NH3+][C@H](c1ccccc1)c1cc(=O)[n-]o1 74275173 573296180 /nfs/dbraw/zinc/29/61/80/573296180.db2.gz KMOIYTKYHFUJAF-SNVBAGLBSA-N 0 0 190.202 1.428 10 0 ADAERN OC1(Cc2cccc3ncoc23)CC1 257996662 573296183 /nfs/dbraw/zinc/29/61/83/573296183.db2.gz GBEONHLBLGQLLQ-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN O=C1CCCC[C@@H]1SC1COC1 86195466 573296206 /nfs/dbraw/zinc/29/62/06/573296206.db2.gz WXGLJRFLTCVIKX-VIFPVBQESA-N 0 0 186.276 1.630 10 0 ADAERN Cc1cccc(N(C)C)c1CCO 259405387 573296232 /nfs/dbraw/zinc/29/62/32/573296232.db2.gz JJCUDEICCBIEJR-UHFFFAOYSA-N 0 0 179.263 1.596 10 0 ADAERN COc1ccc(F)c(C)c1CCON 257995013 573296249 /nfs/dbraw/zinc/29/62/49/573296249.db2.gz BOSYBCQYTSSULM-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN CC(C)(O)c1ccc2c(c1)CC(=O)N2 257996734 573296258 /nfs/dbraw/zinc/29/62/58/573296258.db2.gz GCSZYBPCSUXMJE-UHFFFAOYSA-N 0 0 191.230 1.409 10 0 ADAERN COc1cccc([C@]2(CO)CCO2)c1 258621702 573296260 /nfs/dbraw/zinc/29/62/60/573296260.db2.gz USNQHSVGCFGHIG-LLVKDONJSA-N 0 0 194.230 1.303 10 0 ADAERN Cc1cc(O)cc(N(C)N(C)C)c1 238336050 573296323 /nfs/dbraw/zinc/29/63/23/573296323.db2.gz PCRBKUOFGKCXCS-UHFFFAOYSA-N 0 0 180.251 1.613 10 0 ADAERN O[C@H]1CCC[C@H]1SC1COC1 86195429 573296337 /nfs/dbraw/zinc/29/63/37/573296337.db2.gz UDNMDCJSEFKPOL-JGVFFNPUSA-N 0 0 174.265 1.032 10 0 ADAERN C[NH2+][C@H](C)c1cccc(F)c1N 238336459 573296346 /nfs/dbraw/zinc/29/63/46/573296346.db2.gz QWMNATSFDSZRDG-ZCFIWIBFSA-N 0 0 168.215 1.688 10 0 ADAERN OCCc1nccc2ccccc12 116560920 573296366 /nfs/dbraw/zinc/29/63/66/573296366.db2.gz UXBHGTXVTUQRDW-UHFFFAOYSA-N 0 0 173.215 1.770 10 0 ADAERN CC[C@@]1(O)C[C@@H]1C 86196765 573296374 /nfs/dbraw/zinc/29/63/74/573296374.db2.gz QNGGJLIQIQLMQV-NTSWFWBYSA-N 0 0 100.161 1.167 10 0 ADAERN Nc1ccc(SC2COC2)c(F)c1 86194874 573296379 /nfs/dbraw/zinc/29/63/79/573296379.db2.gz RIDKDAOHXMSKHT-UHFFFAOYSA-N 0 0 199.250 1.899 10 0 ADAERN CCC(=O)CSC1COC1 86195551 573297641 /nfs/dbraw/zinc/29/76/41/573297641.db2.gz CJWLARUYFBEFPV-UHFFFAOYSA-N 0 0 160.238 1.098 10 0 ADAERN Cc1ccc(-c2nc(NN)cs2)o1 259405434 573296892 /nfs/dbraw/zinc/29/68/92/573296892.db2.gz UEBTZOLRWVSTPV-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN C[C@@H]1C[C@]1(O)C1CCCC1 86196868 573296730 /nfs/dbraw/zinc/29/67/30/573296730.db2.gz VFVQDKNPZSDNMG-VXNVDRBHSA-N 0 0 140.226 1.948 10 0 ADAERN CSCc1cc(N)on1 257996348 573296732 /nfs/dbraw/zinc/29/67/32/573296732.db2.gz YJXSSMRWWGCWSV-UHFFFAOYSA-N 0 0 144.199 1.120 10 0 ADAERN CN(C)N(C)Cc1ccccc1N 238336016 573296733 /nfs/dbraw/zinc/29/67/33/573296733.db2.gz GAWQCPAVSICLGW-UHFFFAOYSA-N 0 0 179.267 1.177 10 0 ADAERN C[NH2+][C@H](c1ccccc1)[P@@H](=O)[O-] 106048925 573296735 /nfs/dbraw/zinc/29/67/35/573296735.db2.gz ZSZSVZXCDWUDRC-QMMMGPOBSA-N 0 0 185.163 1.372 10 0 ADAERN CO[C@@H](C1CCCCC1)[C@@H](C)NN 126057847 573296740 /nfs/dbraw/zinc/29/67/40/573296740.db2.gz UEQSJSHNKAIPFZ-PSASIEDQSA-N 0 0 186.299 1.434 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccsc1 86196786 573296745 /nfs/dbraw/zinc/29/67/45/573296745.db2.gz WFABOUZCIIJBDU-SVRRBLITSA-N 0 0 154.234 1.976 10 0 ADAERN C[NH2+][C@H](C)c1cccc(F)c1C(=O)[O-] 238336434 573296749 /nfs/dbraw/zinc/29/67/49/573296749.db2.gz RZCWKKXBYLIJBM-ZCFIWIBFSA-N 0 0 197.209 1.804 10 0 ADAERN C[C@H](O)c1ccc(N2C=NCC2)cc1 257996644 573296752 /nfs/dbraw/zinc/29/67/52/573296752.db2.gz GAQPKKYMKHXSSU-VIFPVBQESA-N 0 0 190.246 1.588 10 0 ADAERN CNc1nc(CC(C)C)co1 258621566 573296763 /nfs/dbraw/zinc/29/67/63/573296763.db2.gz QFKBFDVEXAGCDK-UHFFFAOYSA-N 0 0 154.213 1.915 10 0 ADAERN CSCc1cnoc1N 257996346 573296779 /nfs/dbraw/zinc/29/67/79/573296779.db2.gz YJXPUWHZKCYXLA-UHFFFAOYSA-N 0 0 144.199 1.120 10 0 ADAERN CCOc1ccc(CNN)cc1F 259407157 573296781 /nfs/dbraw/zinc/29/67/81/573296781.db2.gz OJQVSJRQYOEADW-UHFFFAOYSA-N 0 0 184.214 1.188 10 0 ADAERN Nc1cccc(SC2COC2)c1 86194806 573296802 /nfs/dbraw/zinc/29/68/02/573296802.db2.gz COGAZMYUFXAXSQ-UHFFFAOYSA-N 0 0 181.260 1.760 10 0 ADAERN COc1ccc(Cl)c2c1CNC2=O 238336822 573296821 /nfs/dbraw/zinc/29/68/21/573296821.db2.gz KRUIKCZDGWDLHY-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN O[C@@H]1CCC[C@@H]1SC1COC1 86195432 573296844 /nfs/dbraw/zinc/29/68/44/573296844.db2.gz UDNMDCJSEFKPOL-SFYZADRCSA-N 0 0 174.265 1.032 10 0 ADAERN CC1(c2nccnc2N)CCC1 686127999 573296856 /nfs/dbraw/zinc/29/68/56/573296856.db2.gz ZFTIJHMUJSZBIF-UHFFFAOYSA-N 0 0 163.224 1.500 10 0 ADAERN O=C1CCC[C@@H]1SC1COC1 86195472 573296862 /nfs/dbraw/zinc/29/68/62/573296862.db2.gz BGNGBMXSRZWTBH-QMMMGPOBSA-N 0 0 172.249 1.240 10 0 ADAERN CO[C@H](C1CCCCC1)[C@H](C)NN 126057235 573296864 /nfs/dbraw/zinc/29/68/64/573296864.db2.gz UEQSJSHNKAIPFZ-WPRPVWTQSA-N 0 0 186.299 1.434 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H](C=C(C)C)N1 238336511 573296866 /nfs/dbraw/zinc/29/68/66/573296866.db2.gz HNSXJEFHYPEESW-IUCAKERBSA-N 0 0 183.251 1.246 10 0 ADAERN Cc1ccc(CCO)cc1N(C)C 259405424 573296872 /nfs/dbraw/zinc/29/68/72/573296872.db2.gz JJXRCAWQMQZPKT-UHFFFAOYSA-N 0 0 179.263 1.596 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccccc1 86196801 573297073 /nfs/dbraw/zinc/29/70/73/573297073.db2.gz LBPUHGCOZGQPED-WCBMZHEXSA-N 0 0 148.205 1.914 10 0 ADAERN CNc1ccc(OC(C)=O)cc1C=O 238335518 573297074 /nfs/dbraw/zinc/29/70/74/573297074.db2.gz WPHJUDZICAMJFY-UHFFFAOYSA-N 0 0 193.202 1.466 10 0 ADAERN O=C1CCC[C@H](SC2COC2)C1 86195491 573297094 /nfs/dbraw/zinc/29/70/94/573297094.db2.gz UVUAPAJWOQJXKL-QMMMGPOBSA-N 0 0 186.276 1.630 10 0 ADAERN Nc1ccc(SC2COC2)cc1 86194816 573297099 /nfs/dbraw/zinc/29/70/99/573297099.db2.gz CSHYUJWRFCGVCI-UHFFFAOYSA-N 0 0 181.260 1.760 10 0 ADAERN Nc1ccc(SC2COC2)cn1 86194861 573297129 /nfs/dbraw/zinc/29/71/29/573297129.db2.gz RMLXHDMJOXOJCO-UHFFFAOYSA-N 0 0 182.248 1.155 10 0 ADAERN C[NH2+][C@H](C)c1cccc(F)n1 238336479 573297134 /nfs/dbraw/zinc/29/71/34/573297134.db2.gz JZPLKSUJEFADLK-ZCFIWIBFSA-N 0 0 154.188 1.501 10 0 ADAERN C[C@H]1C[C@@]1(O)CCc1ccco1 86196687 573297140 /nfs/dbraw/zinc/29/71/40/573297140.db2.gz DZCNACLQSUWRGQ-WPRPVWTQSA-N 0 0 166.220 1.983 10 0 ADAERN COCCc1ccc(C2(O)CC2)cc1 257998966 573297182 /nfs/dbraw/zinc/29/71/82/573297182.db2.gz GGCBZVWMCDPTQW-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN COc1ccc(Cl)c(C(C)=O)n1 238335374 573297655 /nfs/dbraw/zinc/29/76/55/573297655.db2.gz BBWIAXHGLMBHKT-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN OC[C@H](c1cccc(F)c1)C1COC1 258623698 573297258 /nfs/dbraw/zinc/29/72/58/573297258.db2.gz QICVOTAHHNUROF-LLVKDONJSA-N 0 0 196.221 1.548 10 0 ADAERN CSc1c(O)cccc1CCO 257998989 573297259 /nfs/dbraw/zinc/29/72/59/573297259.db2.gz GGKNIFOZPHMRDT-UHFFFAOYSA-N 0 0 184.260 1.649 10 0 ADAERN Nc1ncc([C@@H]2CCCO2)o1 259072789 573297263 /nfs/dbraw/zinc/29/72/63/573297263.db2.gz CCADWMVAEDFWML-YFKPBYRVSA-N 0 0 154.169 1.108 10 0 ADAERN CCC[C@]1(CO)COC(C)(C)O1 223007572 573297267 /nfs/dbraw/zinc/29/72/67/573297267.db2.gz VSGQDEXZQGWIPK-VIFPVBQESA-N 0 0 174.240 1.301 10 0 ADAERN C[C@H]1C(=O)Nc2ccc(CON)cc21 257999066 573297268 /nfs/dbraw/zinc/29/72/68/573297268.db2.gz GIPXEJXCRUHMFY-ZCFIWIBFSA-N 0 0 192.218 1.133 10 0 ADAERN CCOC(=O)[C@]1(C)CCCC(C)(C)N1 257998724 573297288 /nfs/dbraw/zinc/29/72/88/573297288.db2.gz LNWZFLHDRFWMOR-NSHDSACASA-N 0 0 199.294 1.860 10 0 ADAERN CC(C)N1C(=O)C[C@@H](CO)C1(C)C 259408850 573297291 /nfs/dbraw/zinc/29/72/91/573297291.db2.gz YKFKVZGZOGPIMD-QMMMGPOBSA-N 0 0 185.267 1.014 10 0 ADAERN Nc1cc(CSC2COC2)ccn1 86196031 573297375 /nfs/dbraw/zinc/29/73/75/573297375.db2.gz SKDRIVYWTFAPED-UHFFFAOYSA-N 0 0 196.275 1.296 10 0 ADAERN C[C@H](O)c1coc(-c2ccco2)n1 257998988 573297379 /nfs/dbraw/zinc/29/73/79/573297379.db2.gz INKFDTULDKAXCM-LURJTMIESA-N 0 0 179.175 1.988 10 0 ADAERN CCn1ccn(CC2CCC2)c1=O 123992040 573297405 /nfs/dbraw/zinc/29/74/05/573297405.db2.gz GSONAKQVFFDOTI-UHFFFAOYSA-N 0 0 180.251 1.470 10 0 ADAERN CN(C)c1cccc(F)c1CCCO 257999018 573297620 /nfs/dbraw/zinc/29/76/20/573297620.db2.gz GHKLZVCEXQJYKZ-UHFFFAOYSA-N 0 0 197.253 1.817 10 0 ADAERN C[C@H]1C[C@@]1(O)C1CCCC1 86196873 573297455 /nfs/dbraw/zinc/29/74/55/573297455.db2.gz VFVQDKNPZSDNMG-CBAPKCEASA-N 0 0 140.226 1.948 10 0 ADAERN OCc1ccc2nc(Cl)cnc2c1 116561374 573297489 /nfs/dbraw/zinc/29/74/89/573297489.db2.gz MLAZVVKRFQEWLT-UHFFFAOYSA-N 0 0 194.621 1.776 10 0 ADAERN Cc1ccc(C)c(CON)c1O 257998971 573297556 /nfs/dbraw/zinc/29/75/56/573297556.db2.gz LSFALHHYSBNZOM-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN CONCc1c(F)ccc(F)c1F 257998969 573297569 /nfs/dbraw/zinc/29/75/69/573297569.db2.gz GGCHMCKAZGLJDJ-UHFFFAOYSA-N 0 0 191.152 1.755 10 0 ADAERN CN(C)N(C)/C(Cl)=C/Cl 238335937 573297570 /nfs/dbraw/zinc/29/75/70/573297570.db2.gz VKFSZISXQMKGMZ-SNAWJCMRSA-N 0 0 169.055 1.671 10 0 ADAERN O=C1CC[C@@H]2CCCC[C@@H]2OC1 197291353 573297583 /nfs/dbraw/zinc/29/75/83/573297583.db2.gz DHIOQXATVNONAQ-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN NNc1csc(-c2ccccn2)n1 259405267 573297594 /nfs/dbraw/zinc/29/75/94/573297594.db2.gz UCACMYOHTSEUMV-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[NH+](C)[C@@H]1CCCC[C@@H]1CC(=O)[O-] 74281286 573299790 /nfs/dbraw/zinc/29/97/90/573299790.db2.gz DVVQKBZMHDWDNT-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN OCc1cnc([C@H]2CCCOC2)o1 258271026 573300610 /nfs/dbraw/zinc/30/06/10/573300610.db2.gz XVXDTGICZJKZEQ-ZETCQYMHSA-N 0 0 183.207 1.061 10 0 ADAERN Cc1nc([C@]2(O)C[C@@H]2C)cs1 86198107 573300614 /nfs/dbraw/zinc/30/06/14/573300614.db2.gz DXRJJIZMZJUFKK-XNCJUZBTSA-N 0 0 169.249 1.679 10 0 ADAERN CNc1ccc(P)cc1 238336262 573300615 /nfs/dbraw/zinc/30/06/15/573300615.db2.gz BFVDJRAXYYWWLS-UHFFFAOYSA-N 0 0 139.138 1.229 10 0 ADAERN C[C@H]1C[C@@]1(O)c1cccs1 86197704 573300634 /nfs/dbraw/zinc/30/06/34/573300634.db2.gz NIQQJZFTNDPABX-XPUUQOCRSA-N 0 0 154.234 1.976 10 0 ADAERN CCc1cc(O)c(OC)cc1O 238335770 573300637 /nfs/dbraw/zinc/30/06/37/573300637.db2.gz UTBWMTMDNWRCTD-UHFFFAOYSA-N 0 0 168.192 1.669 10 0 ADAERN Cc1cncc([C@@]2(O)C[C@@H]2C)c1 86197541 573300640 /nfs/dbraw/zinc/30/06/40/573300640.db2.gz ABKVHTBYMPCSNC-WCBMZHEXSA-N 0 0 163.220 1.617 10 0 ADAERN C[C@@H]1C[C@]1(O)C1CCOCC1 86197366 573301532 /nfs/dbraw/zinc/30/15/32/573301532.db2.gz BXIMDDCOSWYERF-VXNVDRBHSA-N 0 0 156.225 1.184 10 0 ADAERN CNc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1 238337062 573301595 /nfs/dbraw/zinc/30/15/95/573301595.db2.gz IDWXLLSNOPVXTF-VIFPVBQESA-N 0 0 194.234 1.203 10 0 ADAERN COc1cccc([C@]2(O)C[C@H]2C)c1 86198120 573301881 /nfs/dbraw/zinc/30/18/81/573301881.db2.gz SWRCHVXKXFTSMY-KCJUWKMLSA-N 0 0 178.231 1.923 10 0 ADAERN Cc1ncc(COC(C)C)n1C 258001623 573302057 /nfs/dbraw/zinc/30/20/57/573302057.db2.gz CDPFEHSXYLQPPV-UHFFFAOYSA-N 0 0 168.240 1.654 10 0 ADAERN Cc1ccc([C@@]2(C)NC[C@@H](C)O2)o1 258285764 573302062 /nfs/dbraw/zinc/30/20/62/573302062.db2.gz BVQMGRSMSXRGQY-SCZZXKLOSA-N 0 0 181.235 1.769 10 0 ADAERN CCc1cc([C@@]2(O)C[C@H]2C)n(C)n1 86198185 573300569 /nfs/dbraw/zinc/30/05/69/573300569.db2.gz VTERVIQTIAYPTL-GMSGAONNSA-N 0 0 180.251 1.210 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccoc1 86197266 573300575 /nfs/dbraw/zinc/30/05/75/573300575.db2.gz IWYJUECXOIYQOS-POYBYMJQSA-N 0 0 138.166 1.507 10 0 ADAERN CN(C)[C@@H](O)c1ccc2[nH]cnc2c1 259408544 573299508 /nfs/dbraw/zinc/29/95/08/573299508.db2.gz HQCUFAWOWHBKHB-JTQLQIEISA-N 0 0 191.234 1.115 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccc(Cl)cn1 86197658 573299517 /nfs/dbraw/zinc/29/95/17/573299517.db2.gz OUZQEQBEYRNYKP-RCOVLWMOSA-N 0 0 183.638 1.962 10 0 ADAERN Cc1oc(C=O)nc1CC(C)C 258625973 573299522 /nfs/dbraw/zinc/29/95/22/573299522.db2.gz XETLKTSLIHHAOG-UHFFFAOYSA-N 0 0 167.208 1.994 10 0 ADAERN C[C@H]1C[C@@]1(O)C1CC1 86197832 573299523 /nfs/dbraw/zinc/29/95/23/573299523.db2.gz QBOLMZPBDPTDCO-FSPLSTOPSA-N 0 0 112.172 1.167 10 0 ADAERN NCC(=O)c1cc(F)ccc1Cl 74278400 573299524 /nfs/dbraw/zinc/29/95/24/573299524.db2.gz OIJQIFPJSTZOJQ-UHFFFAOYSA-N 0 0 187.601 1.621 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1cccs1 86197702 573299558 /nfs/dbraw/zinc/29/95/58/573299558.db2.gz NIQQJZFTNDPABX-SVRRBLITSA-N 0 0 154.234 1.976 10 0 ADAERN CO[C@@H](C)CNc1ccc(N)cn1 223655300 573299563 /nfs/dbraw/zinc/29/95/63/573299563.db2.gz GXGPGWXUVDVAGC-ZETCQYMHSA-N 0 0 181.239 1.111 10 0 ADAERN Cc1coc([C@H](O)[C@@H](C)O)c1 715760848 573299569 /nfs/dbraw/zinc/29/95/69/573299569.db2.gz FPQWPTXRFHZDIR-HTRCEHHLSA-N 0 0 156.181 1.002 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccc2c(c1)OCO2 86198205 573299576 /nfs/dbraw/zinc/29/95/76/573299576.db2.gz KELQMIFYLUPLPV-WRWORJQWSA-N 0 0 192.214 1.643 10 0 ADAERN CCn1cncc1/C=C(\C)CO 211961674 573299579 /nfs/dbraw/zinc/29/95/79/573299579.db2.gz KFBMDPJIEZMFKO-XBXARRHUSA-N 0 0 166.224 1.299 10 0 ADAERN O=C([O-])C1(C[NH2+]CC2CCC2)CCC1 259073064 573299794 /nfs/dbraw/zinc/29/97/94/573299794.db2.gz UOHQZPPJPXXBSC-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN Nc1ncc(N)c(-c2ccccc2)n1 74280531 573299592 /nfs/dbraw/zinc/29/95/92/573299592.db2.gz NAZORHVMBDYNQT-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN C[C@H](O)/C=C1/CC[C@H](C)OC1 401857418 573299599 /nfs/dbraw/zinc/29/95/99/573299599.db2.gz OTBOVWRZHKTBFB-YBXZGVKSSA-N 0 0 156.225 1.493 10 0 ADAERN Cc1cncc([C@@]2(O)C[C@H]2C)c1 86197544 573299612 /nfs/dbraw/zinc/29/96/12/573299612.db2.gz ABKVHTBYMPCSNC-PSASIEDQSA-N 0 0 163.220 1.617 10 0 ADAERN C[C@H]1C[C@]1(O)c1cccnc1 86198398 573299647 /nfs/dbraw/zinc/29/96/47/573299647.db2.gz IARHEWQIODESTK-IONNQARKSA-N 0 0 149.193 1.309 10 0 ADAERN NNCc1ccc2c(c1)NCCS2 259074059 573299653 /nfs/dbraw/zinc/29/96/53/573299653.db2.gz CBGMGPBQKLSDKW-UHFFFAOYSA-N 0 0 195.291 1.168 10 0 ADAERN Nc1ncc([C@H]2CCCO2)o1 259072786 573299668 /nfs/dbraw/zinc/29/96/68/573299668.db2.gz CCADWMVAEDFWML-RXMQYKEDSA-N 0 0 154.169 1.108 10 0 ADAERN O[C@H]1CCc2cc3ccccn3c2C1 74279109 573299681 /nfs/dbraw/zinc/29/96/81/573299681.db2.gz PFGGGTXKRGZENZ-NSHDSACASA-N 0 0 187.242 1.789 10 0 ADAERN COc1ccccc1[C@]1(O)C[C@@H]1C 86198201 573299692 /nfs/dbraw/zinc/29/96/92/573299692.db2.gz WTCDKCZCSVKTFL-KWQFWETISA-N 0 0 178.231 1.923 10 0 ADAERN CSCC[C@@]1(O)C[C@@H]1C 86197511 573299700 /nfs/dbraw/zinc/29/97/00/573299700.db2.gz GAUJPGMGIKBJQP-NKWVEPMBSA-N 0 0 146.255 1.510 10 0 ADAERN O=C(Cc1cccnn1)C1CCCC1 259075082 573299708 /nfs/dbraw/zinc/29/97/08/573299708.db2.gz IAAYEZPWQOZDKA-UHFFFAOYSA-N 0 0 190.246 1.778 10 0 ADAERN CC(C)[C@@]1(O)C[C@H]1C 86197880 573299712 /nfs/dbraw/zinc/29/97/12/573299712.db2.gz CVWBPSUFMGFOIY-RQJHMYQMSA-N 0 0 114.188 1.413 10 0 ADAERN CNc1ccc(OC)c(C)c1C=O 238335636 573299742 /nfs/dbraw/zinc/29/97/42/573299742.db2.gz XBFVZWNKEBHESO-UHFFFAOYSA-N 0 0 179.219 1.858 10 0 ADAERN COC(=O)[C@@H]1C[C@@]1(F)Cl 116568887 573299764 /nfs/dbraw/zinc/29/97/64/573299764.db2.gz PTGRCUVGYNWHLN-UCORVYFPSA-N 0 0 152.552 1.084 10 0 ADAERN Cc1occc1[C@]1(O)C[C@H]1C 86197034 573299769 /nfs/dbraw/zinc/29/97/69/573299769.db2.gz JEQCLEXAJMQLKD-MUWHJKNJSA-N 0 0 152.193 1.815 10 0 ADAERN Cc1ncsc1[C@@]1(O)C[C@H]1C 86197276 573299810 /nfs/dbraw/zinc/29/98/10/573299810.db2.gz BJZBZUDCQVVINP-SVGQVSJJSA-N 0 0 169.249 1.679 10 0 ADAERN Nc1nsc(-c2cncs2)n1 74283191 573299821 /nfs/dbraw/zinc/29/98/21/573299821.db2.gz HFQXMXRQQWLDNQ-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN CO[C@H](C)CNc1ncccc1N 223652804 573299825 /nfs/dbraw/zinc/29/98/25/573299825.db2.gz XANUKSMNDSPEEL-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN C[C@@H]1C[C@]1(O)[C@@H]1COc2ccccc21 86197353 573299847 /nfs/dbraw/zinc/29/98/47/573299847.db2.gz GCSDMERBBFHKDZ-HLUHBDAQSA-N 0 0 190.242 1.934 10 0 ADAERN COc1ccc(C)c(CCCO)c1O 258001425 573299862 /nfs/dbraw/zinc/29/98/62/573299862.db2.gz GOPIAFKQNSQMLK-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN Cc1ncsc1[C@@]1(O)C[C@@H]1C 86197273 573299867 /nfs/dbraw/zinc/29/98/67/573299867.db2.gz BJZBZUDCQVVINP-YLWLKBPMSA-N 0 0 169.249 1.679 10 0 ADAERN Nc1nnccc1-c1ccncc1 258623766 573299880 /nfs/dbraw/zinc/29/98/80/573299880.db2.gz QIWDKGDTUWQBOZ-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccncc1F 86197045 573299890 /nfs/dbraw/zinc/29/98/90/573299890.db2.gz MQOJFHYREHVRNP-HZGVNTEJSA-N 0 0 167.183 1.448 10 0 ADAERN CC[C@@H](C)[C@@H](C)NN1CCOCC1 214544796 573299913 /nfs/dbraw/zinc/29/99/13/573299913.db2.gz RDUKPMVNZPNMNW-NXEZZACHSA-N 0 0 186.299 1.258 10 0 ADAERN Cc1nc([C@@]2(O)C[C@H]2C)cs1 86198113 573299918 /nfs/dbraw/zinc/29/99/18/573299918.db2.gz DXRJJIZMZJUFKK-SVGQVSJJSA-N 0 0 169.249 1.679 10 0 ADAERN CC(C)N1C(=O)C[C@H](CO)C1(C)C 259408849 573299937 /nfs/dbraw/zinc/29/99/37/573299937.db2.gz YKFKVZGZOGPIMD-MRVPVSSYSA-N 0 0 185.267 1.014 10 0 ADAERN C[C@H]1C[C@@]1(O)C(C)(C)C 86197127 573299938 /nfs/dbraw/zinc/29/99/38/573299938.db2.gz JGYDZQSAVISNTG-XPUUQOCRSA-N 0 0 128.215 1.803 10 0 ADAERN C[NH2+][C@@H](C)c1cnccc1OC 238336210 573299961 /nfs/dbraw/zinc/29/99/61/573299961.db2.gz KEJXCHHFIRRSEM-ZETCQYMHSA-N 0 0 166.224 1.371 10 0 ADAERN CCc1cc(O)c(N)cc1N 238335442 573299982 /nfs/dbraw/zinc/29/99/82/573299982.db2.gz BYDPCBPTNRKOAW-UHFFFAOYSA-N 0 0 152.197 1.119 10 0 ADAERN Cc1nn(C)c(C)c1[C@@]1(O)C[C@@H]1C 86197376 573300183 /nfs/dbraw/zinc/30/01/83/573300183.db2.gz BKBLWUZBRBJGSQ-QUBYGPBYSA-N 0 0 180.251 1.264 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccc(Cl)cn1 86197654 573300013 /nfs/dbraw/zinc/30/00/13/573300013.db2.gz OUZQEQBEYRNYKP-IMTBSYHQSA-N 0 0 183.638 1.962 10 0 ADAERN CNc1cnnc(-c2ccccc2)n1 259073067 573300022 /nfs/dbraw/zinc/30/00/22/573300022.db2.gz FIGOWQISVJGJKO-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN C[C@@H](CO)Sc1ccc[nH]1 259072977 573300056 /nfs/dbraw/zinc/30/00/56/573300056.db2.gz NOHGJAVBQDNSMX-LURJTMIESA-N 0 0 157.238 1.488 10 0 ADAERN C[C@@H]1C[C@@]1(O)C[C@@H]1CCCO1 86198103 573300071 /nfs/dbraw/zinc/30/00/71/573300071.db2.gz AUBYZDGSRPYKNA-HRDYMLBCSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@H](O)/C=C1\CC[C@H](C)OC1 401857416 573300076 /nfs/dbraw/zinc/30/00/76/573300076.db2.gz OTBOVWRZHKTBFB-LSUQNPSCSA-N 0 0 156.225 1.493 10 0 ADAERN CC(C)C[C@]1(O)C[C@H]1C 86196885 573300080 /nfs/dbraw/zinc/30/00/80/573300080.db2.gz HTOUAGJQDAFESN-SFYZADRCSA-N 0 0 128.215 1.803 10 0 ADAERN COc1ccc([C@]2(O)C[C@@H]2C)cc1 86196944 573300087 /nfs/dbraw/zinc/30/00/87/573300087.db2.gz BEJYSMZLJFRBIK-KWQFWETISA-N 0 0 178.231 1.923 10 0 ADAERN CCn1nc(C)cc1[C@]1(O)C[C@H]1C 86196988 573300102 /nfs/dbraw/zinc/30/01/02/573300102.db2.gz BOORXUSOFZTZLG-XCBNKYQSSA-N 0 0 180.251 1.439 10 0 ADAERN O=C1CC[C@@H]2CCCC[C@H]2OC1 197291339 573300109 /nfs/dbraw/zinc/30/01/09/573300109.db2.gz DHIOQXATVNONAQ-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN COc1ncccc1[C@@]1(O)C[C@H]1C 86197546 573300117 /nfs/dbraw/zinc/30/01/17/573300117.db2.gz KXNNWNDICWUZJP-GMSGAONNSA-N 0 0 179.219 1.318 10 0 ADAERN Cc1cncc([C@]2(O)C[C@@H]2C)c1 86197540 573300123 /nfs/dbraw/zinc/30/01/23/573300123.db2.gz ABKVHTBYMPCSNC-WPRPVWTQSA-N 0 0 163.220 1.617 10 0 ADAERN C[C@H]1C[C@@]1(O)C1CCC1 86197947 573300144 /nfs/dbraw/zinc/30/01/44/573300144.db2.gz NASRSUIRNJAFIV-XPUUQOCRSA-N 0 0 126.199 1.557 10 0 ADAERN C[C@@H]1C[C@]1(O)c1cccnc1 86198397 573300192 /nfs/dbraw/zinc/30/01/92/573300192.db2.gz IARHEWQIODESTK-VXNVDRBHSA-N 0 0 149.193 1.309 10 0 ADAERN CC[C@H](C)[C@]1(O)C[C@@H]1C 86197663 573300214 /nfs/dbraw/zinc/30/02/14/573300214.db2.gz HBGQTGDCRJIQMM-BIIVOSGPSA-N 0 0 128.215 1.803 10 0 ADAERN Cc1nn(C)c(C)c1[C@@]1(O)C[C@H]1C 86197379 573300225 /nfs/dbraw/zinc/30/02/25/573300225.db2.gz BKBLWUZBRBJGSQ-LHLIQPBNSA-N 0 0 180.251 1.264 10 0 ADAERN COc1cc(C)c(C)cc1NCNN 259074274 573300228 /nfs/dbraw/zinc/30/02/28/573300228.db2.gz MAAYIMLQEVISBF-UHFFFAOYSA-N 0 0 195.266 1.145 10 0 ADAERN CCCN(C(=O)C1CC1)[C@H]1CCOC1 308548347 573300231 /nfs/dbraw/zinc/30/02/31/573300231.db2.gz WQNWFHSEOWFLRL-JTQLQIEISA-N 0 0 197.278 1.424 10 0 ADAERN COc1ncccc1[C@]1(O)C[C@@H]1C 86197552 573300248 /nfs/dbraw/zinc/30/02/48/573300248.db2.gz KXNNWNDICWUZJP-XVKPBYJWSA-N 0 0 179.219 1.318 10 0 ADAERN C[C@H]1C[C@]1(O)c1cscn1 86198013 573300262 /nfs/dbraw/zinc/30/02/62/573300262.db2.gz XXXKWXHQMOODNF-CAHLUQPWSA-N 0 0 155.222 1.371 10 0 ADAERN C[C@H]1C[C@]1(O)C1CCOCC1 86197368 573300280 /nfs/dbraw/zinc/30/02/80/573300280.db2.gz BXIMDDCOSWYERF-IONNQARKSA-N 0 0 156.225 1.184 10 0 ADAERN CNC(=O)c1[nH]c(C)cc1C(C)C 238335465 573300300 /nfs/dbraw/zinc/30/03/00/573300300.db2.gz DWTNCRIMNXZUSS-UHFFFAOYSA-N 0 0 180.251 1.806 10 0 ADAERN Cc1ccoc1[C@@]1(O)C[C@H]1C 86198478 573300301 /nfs/dbraw/zinc/30/03/01/573300301.db2.gz IAIRUXCPIPZGKI-VXNVDRBHSA-N 0 0 152.193 1.815 10 0 ADAERN CC(C)[C@H](C)NO 77946331 573300306 /nfs/dbraw/zinc/30/03/06/573300306.db2.gz YPORECDPLSEMDE-YFKPBYRVSA-N 0 0 103.165 1.010 10 0 ADAERN CCCc1nnsc1[C@]1(O)C[C@H]1C 86197908 573300309 /nfs/dbraw/zinc/30/03/09/573300309.db2.gz WFNPKOCAIPJPEM-MUWHJKNJSA-N 0 0 198.291 1.718 10 0 ADAERN COc1ncccc1[C@@]1(O)C[C@@H]1C 86197548 573300316 /nfs/dbraw/zinc/30/03/16/573300316.db2.gz KXNNWNDICWUZJP-OIBJUYFYSA-N 0 0 179.219 1.318 10 0 ADAERN C=CC(=O)NC[C@@H]1CCC[C@H](CO)C1 308540950 573300322 /nfs/dbraw/zinc/30/03/22/573300322.db2.gz NYXSRQNNKGGCRU-ZJUUUORDSA-N 0 0 197.278 1.087 10 0 ADAERN C[NH+](C)[C@H]1CCCC[C@H]1CC(=O)[O-] 74281292 573300334 /nfs/dbraw/zinc/30/03/34/573300334.db2.gz DVVQKBZMHDWDNT-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H]1C[C@]1(O)C1CC1 86197826 573300336 /nfs/dbraw/zinc/30/03/36/573300336.db2.gz QBOLMZPBDPTDCO-CAHLUQPWSA-N 0 0 112.172 1.167 10 0 ADAERN CN(C)N(C)C(=S)NC(C)(C)C 238335906 573300345 /nfs/dbraw/zinc/30/03/45/573300345.db2.gz IUPRAPYKFPQGBN-UHFFFAOYSA-N 0 0 189.328 1.068 10 0 ADAERN Cc1cccc(-n2nnc(N)c2C)c1 74277413 573300349 /nfs/dbraw/zinc/30/03/49/573300349.db2.gz SRGGDYACCDPDGP-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cccc([C@@]2(O)C[C@@H]2C)n1 86197012 573300355 /nfs/dbraw/zinc/30/03/55/573300355.db2.gz UHQYZVNTBUPSQF-OIBJUYFYSA-N 0 0 163.220 1.617 10 0 ADAERN CCOC(=O)/C(C)=C/c1cn(C)cn1 393661461 573300382 /nfs/dbraw/zinc/30/03/82/573300382.db2.gz WVNCGXJJGPMVRI-VMPITWQZSA-N 0 0 194.234 1.387 10 0 ADAERN CCC[C@]1(O)C[C@H]1C 86197244 573300392 /nfs/dbraw/zinc/30/03/92/573300392.db2.gz YHSSRIODGKOGJE-RQJHMYQMSA-N 0 0 114.188 1.557 10 0 ADAERN Cc1cnc(C=O)n1-c1ccccn1 74279476 573300400 /nfs/dbraw/zinc/30/04/00/573300400.db2.gz ZNRUTMYEUNWJAN-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN CNC(=O)Cc1cc2ccccc2[nH]1 238336318 573300404 /nfs/dbraw/zinc/30/04/04/573300404.db2.gz XTROPTXYUJIKSM-UHFFFAOYSA-N 0 0 188.230 1.456 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccccn1 86197120 573300405 /nfs/dbraw/zinc/30/04/05/573300405.db2.gz RUOXJEYBRHDREV-CBAPKCEASA-N 0 0 149.193 1.309 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccncc1F 86197050 573300412 /nfs/dbraw/zinc/30/04/12/573300412.db2.gz MQOJFHYREHVRNP-MUWHJKNJSA-N 0 0 167.183 1.448 10 0 ADAERN Cc1cc(O)cc(C(C)(C)CO)c1 257993419 573300419 /nfs/dbraw/zinc/30/04/19/573300419.db2.gz KYKSDJCRWPIEQC-UHFFFAOYSA-N 0 0 180.247 1.971 10 0 ADAERN Nc1nc(-c2cncs2)ns1 74283195 573300425 /nfs/dbraw/zinc/30/04/25/573300425.db2.gz YOHIPJHPRUWXNV-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN C[C@H]1C[C@]1(O)c1cccs1 86197700 573300551 /nfs/dbraw/zinc/30/05/51/573300551.db2.gz NIQQJZFTNDPABX-POYBYMJQSA-N 0 0 154.234 1.976 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccncc1Cl 86197819 573300438 /nfs/dbraw/zinc/30/04/38/573300438.db2.gz MIGALWVWCRPRME-MUWHJKNJSA-N 0 0 183.638 1.962 10 0 ADAERN CNC(=O)Cc1csc(Cl)n1 238336141 573300444 /nfs/dbraw/zinc/30/04/44/573300444.db2.gz AQZKGYLBJWOPFS-UHFFFAOYSA-N 0 0 190.655 1.085 10 0 ADAERN Cc1nc([C@]2(O)C[C@H]2C)cs1 86198111 573300445 /nfs/dbraw/zinc/30/04/45/573300445.db2.gz DXRJJIZMZJUFKK-XRGYYRRGSA-N 0 0 169.249 1.679 10 0 ADAERN C[C@H]1C[C@@]1(O)[C@H]1C[C@H]1C 86197731 573300452 /nfs/dbraw/zinc/30/04/52/573300452.db2.gz JJRMZILJKDUXSB-KVPKETBZSA-N 0 0 126.199 1.413 10 0 ADAERN CSCC[C@]1(O)C[C@H]1C 86197513 573300466 /nfs/dbraw/zinc/30/04/66/573300466.db2.gz GAUJPGMGIKBJQP-RQJHMYQMSA-N 0 0 146.255 1.510 10 0 ADAERN Nc1nc(-c2cscn2)ns1 74283197 573300468 /nfs/dbraw/zinc/30/04/68/573300468.db2.gz UHJRVZHMNWULOU-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Cc1ncsc1[C@]1(O)C[C@H]1C 86197274 573300471 /nfs/dbraw/zinc/30/04/71/573300471.db2.gz BJZBZUDCQVVINP-XRGYYRRGSA-N 0 0 169.249 1.679 10 0 ADAERN CNc1ccc(OC)c(OC)c1N 238335680 573300477 /nfs/dbraw/zinc/30/04/77/573300477.db2.gz PWFILKIBPMZLGY-UHFFFAOYSA-N 0 0 182.223 1.328 10 0 ADAERN C[NH+](C)[C@H]1CCCC[C@@H]1CC(=O)[O-] 74281288 573300494 /nfs/dbraw/zinc/30/04/94/573300494.db2.gz DVVQKBZMHDWDNT-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1C[C@@]1(O)C1CC1 86197829 573300497 /nfs/dbraw/zinc/30/04/97/573300497.db2.gz QBOLMZPBDPTDCO-VDTYLAMSSA-N 0 0 112.172 1.167 10 0 ADAERN C[C@@H]1C[C@]1(O)C1CCC1 86197940 573300503 /nfs/dbraw/zinc/30/05/03/573300503.db2.gz NASRSUIRNJAFIV-HTRCEHHLSA-N 0 0 126.199 1.557 10 0 ADAERN Cc1ccccc1-n1nnc(N)c1C 74277420 573300504 /nfs/dbraw/zinc/30/05/04/573300504.db2.gz JLGNZFFVUCZUFF-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCc1ccccc1-n1ncc(N)n1 74277542 573300510 /nfs/dbraw/zinc/30/05/10/573300510.db2.gz PMQYJNBDWHTSTD-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CC(C)C[C@@]1(O)C[C@H]1C 86196881 573300519 /nfs/dbraw/zinc/30/05/19/573300519.db2.gz HTOUAGJQDAFESN-HTQZYQBOSA-N 0 0 128.215 1.803 10 0 ADAERN CCC[C@@]1(O)C[C@H]1C 86197245 573300524 /nfs/dbraw/zinc/30/05/24/573300524.db2.gz YHSSRIODGKOGJE-RNFRBKRXSA-N 0 0 114.188 1.557 10 0 ADAERN COc1ccccc1[C@]1(O)C[C@H]1C 86198199 573300529 /nfs/dbraw/zinc/30/05/29/573300529.db2.gz WTCDKCZCSVKTFL-KCJUWKMLSA-N 0 0 178.231 1.923 10 0 ADAERN CC1Cn2c(nc3c2CCCC3)N=N1 106473348 573300538 /nfs/dbraw/zinc/30/05/38/573300538.db2.gz LNKFAEKTVUHOFY-UHFFFAOYSA-N 0 0 190.250 1.563 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccc2c(c1)COC2 86197901 573300540 /nfs/dbraw/zinc/30/05/40/573300540.db2.gz KORUJUYYDGXHOA-PELKAZGASA-N 0 0 190.242 1.944 10 0 ADAERN COc1cccc2c1[C@H](CON)CN2 258001487 573300546 /nfs/dbraw/zinc/30/05/46/573300546.db2.gz ILTZZFAGXHXSBU-ZETCQYMHSA-N 0 0 194.234 1.095 10 0 ADAERN C[C@@H]1C[C@]1(O)CC1CC1 86197531 573300547 /nfs/dbraw/zinc/30/05/47/573300547.db2.gz QWFPRAMXCCWHOK-SVRRBLITSA-N 0 0 126.199 1.557 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccc2c(c1)OCO2 86198207 573300557 /nfs/dbraw/zinc/30/05/57/573300557.db2.gz KELQMIFYLUPLPV-HQJQHLMTSA-N 0 0 192.214 1.643 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccncc1 86197110 573300674 /nfs/dbraw/zinc/30/06/74/573300674.db2.gz GNMOFNNSQJMDJN-VXNVDRBHSA-N 0 0 149.193 1.309 10 0 ADAERN Cc1ccoc1[C@@]1(O)C[C@@H]1C 86198476 573300683 /nfs/dbraw/zinc/30/06/83/573300683.db2.gz IAIRUXCPIPZGKI-IONNQARKSA-N 0 0 152.193 1.815 10 0 ADAERN CCC/C=C/C[C@@H](N)C(=O)OC 219839045 573300684 /nfs/dbraw/zinc/30/06/84/573300684.db2.gz TUDYLCUQPLEATK-HQZHTGGTSA-N 0 0 171.240 1.233 10 0 ADAERN CCn1nc(C)cc1[C@@]1(O)C[C@H]1C 86196991 573300729 /nfs/dbraw/zinc/30/07/29/573300729.db2.gz BOORXUSOFZTZLG-GMSGAONNSA-N 0 0 180.251 1.439 10 0 ADAERN CO[C@H](C)CNc1cccnc1N 223659611 573300732 /nfs/dbraw/zinc/30/07/32/573300732.db2.gz OMJNATSDAVOFKE-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN CCn1nc(C)cc1[C@@]1(O)C[C@@H]1C 86196987 573300737 /nfs/dbraw/zinc/30/07/37/573300737.db2.gz BOORXUSOFZTZLG-OIBJUYFYSA-N 0 0 180.251 1.439 10 0 ADAERN CN1CCC[C@@H]1Oc1cnoc1 258285908 573300745 /nfs/dbraw/zinc/30/07/45/573300745.db2.gz BWMFDMDFPOYCOJ-QMMMGPOBSA-N 0 0 168.196 1.105 10 0 ADAERN COc1cncnc1NCCC1CC1 308547315 573300758 /nfs/dbraw/zinc/30/07/58/573300758.db2.gz QEXYJJWFPYKJND-UHFFFAOYSA-N 0 0 193.250 1.697 10 0 ADAERN CC(C)[C@@]1(O)C[C@@H]1C 86197881 573300763 /nfs/dbraw/zinc/30/07/63/573300763.db2.gz CVWBPSUFMGFOIY-BQBZGAKWSA-N 0 0 114.188 1.413 10 0 ADAERN C[C@@H]1C[C@]1(O)C[C@@H]1CCCO1 86198099 573300779 /nfs/dbraw/zinc/30/07/79/573300779.db2.gz AUBYZDGSRPYKNA-VGMNWLOBSA-N 0 0 156.225 1.326 10 0 ADAERN C=Cc1cc(C)on1 197801725 573300790 /nfs/dbraw/zinc/30/07/90/573300790.db2.gz WWKVBSFCJGUPIJ-UHFFFAOYSA-N 0 0 109.128 1.626 10 0 ADAERN CO[C@H](C)CNc1ccc(N)cc1F 223652295 573300798 /nfs/dbraw/zinc/30/07/98/573300798.db2.gz SFQVWSZBQLRDQG-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN COc1ccc([C@@]2(O)C[C@@H]2C)cc1 86196940 573300801 /nfs/dbraw/zinc/30/08/01/573300801.db2.gz BEJYSMZLJFRBIK-GZMMTYOYSA-N 0 0 178.231 1.923 10 0 ADAERN Cc1nnsc1[C@@]1(O)C[C@H]1C 86197237 573300822 /nfs/dbraw/zinc/30/08/22/573300822.db2.gz JSVJNWMZMKEGQU-CLZZGJSISA-N 0 0 170.237 1.074 10 0 ADAERN Cc1cccc(-n2cc(N)nn2)c1C 74277451 573300825 /nfs/dbraw/zinc/30/08/25/573300825.db2.gz FLAVXDHIVPLZHN-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN C[C@H]1C[C@@]1(O)c1cccc(N(C)C)c1 86198264 573300828 /nfs/dbraw/zinc/30/08/28/573300828.db2.gz VLJHOLIMTQTVJA-CABZTGNLSA-N 0 0 191.274 1.980 10 0 ADAERN NOC[C@@H]1Cc2c(F)cccc2S1 258285304 573300829 /nfs/dbraw/zinc/30/08/29/573300829.db2.gz UCPZPYAFNJQWLA-LURJTMIESA-N 0 0 199.250 1.733 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccncc1 86197113 573300839 /nfs/dbraw/zinc/30/08/39/573300839.db2.gz GNMOFNNSQJMDJN-APPZFPTMSA-N 0 0 149.193 1.309 10 0 ADAERN O=Cc1c[nH]c(-c2ccc(O)cc2)n1 74278290 573300862 /nfs/dbraw/zinc/30/08/62/573300862.db2.gz 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/nfs/dbraw/zinc/30/13/13/573301313.db2.gz GUMWMBFOIQNVHS-UHFFFAOYSA-N 0 0 188.186 1.473 10 0 ADAERN Cc1coc([C@]2(O)COCC2(C)C)c1 715765112 573301319 /nfs/dbraw/zinc/30/13/19/573301319.db2.gz ZDJMQKNXVZUAOP-LLVKDONJSA-N 0 0 196.246 1.832 10 0 ADAERN C[C@H]1C[C@]1(O)C1CCC1 86197942 573301328 /nfs/dbraw/zinc/30/13/28/573301328.db2.gz NASRSUIRNJAFIV-POYBYMJQSA-N 0 0 126.199 1.557 10 0 ADAERN CCSCC[C@H](O)C1CC1 124000374 573301345 /nfs/dbraw/zinc/30/13/45/573301345.db2.gz CAXLCMSBXXXKET-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccc2c(c1)OCO2 86198209 573301356 /nfs/dbraw/zinc/30/13/56/573301356.db2.gz KELQMIFYLUPLPV-CPCISQLKSA-N 0 0 192.214 1.643 10 0 ADAERN Cc1nc2c(C#N)cccn2c1C=O 74281770 573301394 /nfs/dbraw/zinc/30/13/94/573301394.db2.gz UHCOESXIXDRYQF-UHFFFAOYSA-N 0 0 185.186 1.327 10 0 ADAERN CCc1cc([C@@]2(O)C[C@H]2C)n(CC)n1 86197104 573301402 /nfs/dbraw/zinc/30/14/02/573301402.db2.gz PIPHZYFPDAHGRK-LDYMZIIASA-N 0 0 194.278 1.693 10 0 ADAERN C[C@@H]1C[C@@]1(O)C1CCC1 86197945 573301419 /nfs/dbraw/zinc/30/14/19/573301419.db2.gz NASRSUIRNJAFIV-SVRRBLITSA-N 0 0 126.199 1.557 10 0 ADAERN Cc1ccc(C)c(-n2cc(N)nn2)c1 74277440 573301426 /nfs/dbraw/zinc/30/14/26/573301426.db2.gz MIXDCQUTZNQSJY-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cnc([C@@]2(O)C[C@@H]2C)cn1 86197407 573301432 /nfs/dbraw/zinc/30/14/32/573301432.db2.gz RHBPNSFXPAKGDI-IMTBSYHQSA-N 0 0 164.208 1.012 10 0 ADAERN Cc1coc([C@H](O)[C@H](C)O)c1 715760868 573301442 /nfs/dbraw/zinc/30/14/42/573301442.db2.gz FPQWPTXRFHZDIR-POYBYMJQSA-N 0 0 156.181 1.002 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1cccnc1 86198401 573301447 /nfs/dbraw/zinc/30/14/47/573301447.db2.gz IARHEWQIODESTK-APPZFPTMSA-N 0 0 149.193 1.309 10 0 ADAERN CCc1cc(O)ccc1NC(N)=S 238337083 573301453 /nfs/dbraw/zinc/30/14/53/573301453.db2.gz OOWHAUJNWYTEBL-UHFFFAOYSA-N 0 0 196.275 1.610 10 0 ADAERN CONCc1cccc(OC)c1C 257993345 573302142 /nfs/dbraw/zinc/30/21/42/573302142.db2.gz KWAPHBCGTHXQBM-UHFFFAOYSA-N 0 0 181.235 1.655 10 0 ADAERN N=C1NC(=N)c2c(F)ccc(F)c21 197296368 573301484 /nfs/dbraw/zinc/30/14/84/573301484.db2.gz ZHXGEOZJYCYKJM-UHFFFAOYSA-N 0 0 181.145 1.009 10 0 ADAERN Cc1ccc([C@]2(O)C[C@@H]2C)o1 86198458 573301485 /nfs/dbraw/zinc/30/14/85/573301485.db2.gz GTHGURSKXQFYEI-RCOVLWMOSA-N 0 0 152.193 1.815 10 0 ADAERN C[N@@H+]1CCC[C@@H]1[C@@]1(C)C[C@@H]1C(=O)[O-] 259072713 573301488 /nfs/dbraw/zinc/30/14/88/573301488.db2.gz CATDAVHVKNDLTH-MRTMQBJTSA-N 0 0 183.251 1.191 10 0 ADAERN COC[C@@H]1COc2cc(O)ccc2O1 238337010 573301490 /nfs/dbraw/zinc/30/14/90/573301490.db2.gz KSJDYGPORUYJKU-MRVPVSSYSA-N 0 0 196.202 1.178 10 0 ADAERN O=C(/C=C/C1CC1)OCCF 393514701 573301493 /nfs/dbraw/zinc/30/14/93/573301493.db2.gz AWPNLUIYVJWREX-ONEGZZNKSA-N 0 0 158.172 1.465 10 0 ADAERN CC(C)c1nnsc1[C@@]1(O)C[C@@H]1C 86198370 573301542 /nfs/dbraw/zinc/30/15/42/573301542.db2.gz AHHKLAHBAOHJPM-IMTBSYHQSA-N 0 0 198.291 1.889 10 0 ADAERN NCC(=O)c1ccc(Cl)c(F)c1 74278401 573301545 /nfs/dbraw/zinc/30/15/45/573301545.db2.gz HEYZEMWSRYASAK-UHFFFAOYSA-N 0 0 187.601 1.621 10 0 ADAERN C[C@H](O)c1cccc2c1CCOC2 257993430 573301546 /nfs/dbraw/zinc/30/15/46/573301546.db2.gz KZEDEELEFPCEJS-QMMMGPOBSA-N 0 0 178.231 1.813 10 0 ADAERN CCc1cc([C@@]2(O)C[C@@H]2C)n(C)n1 86198182 573301549 /nfs/dbraw/zinc/30/15/49/573301549.db2.gz VTERVIQTIAYPTL-OIBJUYFYSA-N 0 0 180.251 1.210 10 0 ADAERN CC(C)(C)c1nnc2c(O)cccn12 258285495 573301556 /nfs/dbraw/zinc/30/15/56/573301556.db2.gz NXRPNIZRQKINMU-UHFFFAOYSA-N 0 0 191.234 1.732 10 0 ADAERN C[C@H]1C[C@]1(O)CC(F)(F)F 86197922 573301563 /nfs/dbraw/zinc/30/15/63/573301563.db2.gz KXXSGLGSIRCEGM-WHFBIAKZSA-N 0 0 154.131 1.710 10 0 ADAERN O=Cc1c[nH]nc1Cc1ccccc1 74280621 573302147 /nfs/dbraw/zinc/30/21/47/573302147.db2.gz VTVQXPYWQUGTOA-UHFFFAOYSA-N 0 0 186.214 1.813 10 0 ADAERN Cn1cnc(C(=O)COC(C)(C)C)c1 308547519 573301602 /nfs/dbraw/zinc/30/16/02/573301602.db2.gz OMRPJLXBTAFLMD-UHFFFAOYSA-N 0 0 196.250 1.418 10 0 ADAERN C[C@@H]1C[C@@]1(O)[C@@H]1COc2ccccc21 86197356 573301616 /nfs/dbraw/zinc/30/16/16/573301616.db2.gz GCSDMERBBFHKDZ-UISBYWKRSA-N 0 0 190.242 1.934 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccncc1F 86197047 573301632 /nfs/dbraw/zinc/30/16/32/573301632.db2.gz MQOJFHYREHVRNP-IMTBSYHQSA-N 0 0 167.183 1.448 10 0 ADAERN CCC(=O)Oc1cnc(N)s1 231147266 573301635 /nfs/dbraw/zinc/30/16/35/573301635.db2.gz PIRYOJFQKOZNPA-UHFFFAOYSA-N 0 0 172.209 1.041 10 0 ADAERN COCNc1ccc2c(c1)ncn2C 259074255 573301648 /nfs/dbraw/zinc/30/16/48/573301648.db2.gz LZOHPXFFQFPZCO-UHFFFAOYSA-N 0 0 191.234 1.589 10 0 ADAERN Cc1coc([C@H](O)C(C)(C)O)c1 715760737 573301717 /nfs/dbraw/zinc/30/17/17/573301717.db2.gz DVTPXGJSRONGLD-QMMMGPOBSA-N 0 0 170.208 1.392 10 0 ADAERN COc1ccc([C@@]2(O)C[C@H]2C)cc1 86196938 573301653 /nfs/dbraw/zinc/30/16/53/573301653.db2.gz BEJYSMZLJFRBIK-LDYMZIIASA-N 0 0 178.231 1.923 10 0 ADAERN O=Cc1c[nH]c(-c2ccccc2O)n1 74278287 573301660 /nfs/dbraw/zinc/30/16/60/573301660.db2.gz FRYLLFCMFPSBNM-UHFFFAOYSA-N 0 0 188.186 1.595 10 0 ADAERN Cc1ccc([C@]2(O)C[C@H]2C)c(C)n1 86197193 573301662 /nfs/dbraw/zinc/30/16/62/573301662.db2.gz JQNMUQBYJYRRHV-HQJQHLMTSA-N 0 0 177.247 1.926 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccoc1 86197267 573301691 /nfs/dbraw/zinc/30/16/91/573301691.db2.gz IWYJUECXOIYQOS-SVRRBLITSA-N 0 0 138.166 1.507 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccncc1F 86197052 573301708 /nfs/dbraw/zinc/30/17/08/573301708.db2.gz MQOJFHYREHVRNP-RCOVLWMOSA-N 0 0 167.183 1.448 10 0 ADAERN Cc1cccnc1[C@@]1(O)C[C@H]1C 86198098 573301725 /nfs/dbraw/zinc/30/17/25/573301725.db2.gz LEVRZSGSESJAIA-PSASIEDQSA-N 0 0 163.220 1.617 10 0 ADAERN Cc1coc([C@@H](O)[C@H](C)O)c1 715760872 573301726 /nfs/dbraw/zinc/30/17/26/573301726.db2.gz FPQWPTXRFHZDIR-XPUUQOCRSA-N 0 0 156.181 1.002 10 0 ADAERN CCc1cc([C@]2(O)C[C@@H]2C)n(CC)n1 86197098 573301744 /nfs/dbraw/zinc/30/17/44/573301744.db2.gz PIPHZYFPDAHGRK-KWQFWETISA-N 0 0 194.278 1.693 10 0 ADAERN CC(C)[C@]1(O)C[C@H]1C 86197883 573301764 /nfs/dbraw/zinc/30/17/64/573301764.db2.gz CVWBPSUFMGFOIY-RNFRBKRXSA-N 0 0 114.188 1.413 10 0 ADAERN C[C@H](O)Cc1cnccc1Cl 259075989 573301771 /nfs/dbraw/zinc/30/17/71/573301771.db2.gz CJKYMCYDUOKUEB-LURJTMIESA-N 0 0 171.627 1.658 10 0 ADAERN Cc1nnsc1[C@]1(O)C[C@H]1C 86197236 573301776 /nfs/dbraw/zinc/30/17/76/573301776.db2.gz JSVJNWMZMKEGQU-FBCQKBJTSA-N 0 0 170.237 1.074 10 0 ADAERN COc1cccc2c1[C@@H](CON)CN2 258001483 573301799 /nfs/dbraw/zinc/30/17/99/573301799.db2.gz ILTZZFAGXHXSBU-SSDOTTSWSA-N 0 0 194.234 1.095 10 0 ADAERN CO[C@@H](C)CNc1cccnc1N 223659552 573301802 /nfs/dbraw/zinc/30/18/02/573301802.db2.gz OMJNATSDAVOFKE-ZETCQYMHSA-N 0 0 181.239 1.111 10 0 ADAERN CCOCC[C@]1(O)C[C@@H]1C 86198125 573301818 /nfs/dbraw/zinc/30/18/18/573301818.db2.gz MZNKTZUDXGIALL-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1[nH]c2ccccc2c1C(=O)C=O 74279570 573301824 /nfs/dbraw/zinc/30/18/24/573301824.db2.gz MHLCJRKXSVNQSK-UHFFFAOYSA-N 0 0 187.198 1.858 10 0 ADAERN CC/C=C\[C@@H](CC)C(N)=O 211963138 573301836 /nfs/dbraw/zinc/30/18/36/573301836.db2.gz FPQDGCIRUXLVSK-KXTMECRCSA-N 0 0 141.214 1.464 10 0 ADAERN CCCc1nnsc1[C@@]1(O)C[C@@H]1C 86197907 573301837 /nfs/dbraw/zinc/30/18/37/573301837.db2.gz WFNPKOCAIPJPEM-IMTBSYHQSA-N 0 0 198.291 1.718 10 0 ADAERN CCOC(=O)NCC1(C)CC1 223658146 573301838 /nfs/dbraw/zinc/30/18/38/573301838.db2.gz MZKAWSMBEQQJFH-UHFFFAOYSA-N 0 0 157.213 1.533 10 0 ADAERN COc1c(C)ccc(C=O)c1N 116726635 573301854 /nfs/dbraw/zinc/30/18/54/573301854.db2.gz WVGIOQHDHQIFJL-UHFFFAOYSA-N 0 0 165.192 1.398 10 0 ADAERN Cc1c(O)ccc(C2(O)CC2)c1O 257993379 573301865 /nfs/dbraw/zinc/30/18/65/573301865.db2.gz KXMCIEBXXFUERZ-UHFFFAOYSA-N 0 0 180.203 1.388 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccoc1 86197264 573301866 /nfs/dbraw/zinc/30/18/66/573301866.db2.gz IWYJUECXOIYQOS-HTRCEHHLSA-N 0 0 138.166 1.507 10 0 ADAERN Cc1cccnc1[C@]1(O)C[C@H]1C 86198096 573301873 /nfs/dbraw/zinc/30/18/73/573301873.db2.gz LEVRZSGSESJAIA-SCZZXKLOSA-N 0 0 163.220 1.617 10 0 ADAERN COC(=O)CC1(C(C)(C)C)COC1 259073934 573301905 /nfs/dbraw/zinc/30/19/05/573301905.db2.gz CJWSUPDKTVGTLB-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN Nc1scnc1[C@H]1CCCOC1 74283112 573301925 /nfs/dbraw/zinc/30/19/25/573301925.db2.gz JILXMZOSVZXBKO-LURJTMIESA-N 0 0 184.264 1.619 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccc(Cl)cn1 86197656 573301926 /nfs/dbraw/zinc/30/19/26/573301926.db2.gz OUZQEQBEYRNYKP-MUWHJKNJSA-N 0 0 183.638 1.962 10 0 ADAERN C[C@@H](O)c1cccc2c1CCOC2 257993428 573301927 /nfs/dbraw/zinc/30/19/27/573301927.db2.gz KZEDEELEFPCEJS-MRVPVSSYSA-N 0 0 178.231 1.813 10 0 ADAERN Cc1occc1[C@@]1(O)C[C@@H]1C 86197032 573301933 /nfs/dbraw/zinc/30/19/33/573301933.db2.gz JEQCLEXAJMQLKD-IMTBSYHQSA-N 0 0 152.193 1.815 10 0 ADAERN CC(C)(C)N1C(=O)C[C@@H](CO)C1(C)C 259411029 573302153 /nfs/dbraw/zinc/30/21/53/573302153.db2.gz YOYFFJKBQUKPRG-QMMMGPOBSA-N 0 0 199.294 1.404 10 0 ADAERN Cc1ccc([C@@]2(O)C[C@@H]2C)o1 86198459 573301948 /nfs/dbraw/zinc/30/19/48/573301948.db2.gz GTHGURSKXQFYEI-IMTBSYHQSA-N 0 0 152.193 1.815 10 0 ADAERN COc1ccc([C@]2(O)C[C@H]2C)cc1 86196942 573301955 /nfs/dbraw/zinc/30/19/55/573301955.db2.gz BEJYSMZLJFRBIK-KCJUWKMLSA-N 0 0 178.231 1.923 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1cccc(N(C)C)c1 86198263 573301960 /nfs/dbraw/zinc/30/19/60/573301960.db2.gz VLJHOLIMTQTVJA-SKDRFNHKSA-N 0 0 191.274 1.980 10 0 ADAERN CO[C@@H](C)CNc1cc(F)ccc1N 223656263 573301965 /nfs/dbraw/zinc/30/19/65/573301965.db2.gz WOGBVCRSJJAPKC-ZETCQYMHSA-N 0 0 198.241 1.855 10 0 ADAERN COc1ncccc1[C@]1(O)C[C@H]1C 86197550 573301966 /nfs/dbraw/zinc/30/19/66/573301966.db2.gz KXNNWNDICWUZJP-XCBNKYQSSA-N 0 0 179.219 1.318 10 0 ADAERN O=c1cc(-c2ccc(F)cc2)[nH]o1 206263594 573301973 /nfs/dbraw/zinc/30/19/73/573301973.db2.gz FRCAWZUEVLTZRL-UHFFFAOYSA-N 0 0 179.150 1.774 10 0 ADAERN CC[C@@H](C[NH2+]CC1CCCC1)C(=O)[O-] 259075147 573301982 /nfs/dbraw/zinc/30/19/82/573301982.db2.gz UTLBATYEAZMQRQ-JTQLQIEISA-N 0 0 199.294 1.877 10 0 ADAERN Cc1coc([C@@H](O)[C@@H](C)O)c1 715760870 573302157 /nfs/dbraw/zinc/30/21/57/573302157.db2.gz FPQWPTXRFHZDIR-SVRRBLITSA-N 0 0 156.181 1.002 10 0 ADAERN COCc1cccc(OC)c1[C@H](C)O 258001398 573302013 /nfs/dbraw/zinc/30/20/13/573302013.db2.gz GNUQJZBCNQNROW-QMMMGPOBSA-N 0 0 196.246 1.895 10 0 ADAERN Cc1nc([C@@]2(O)C[C@@H]2C)cs1 86198109 573302015 /nfs/dbraw/zinc/30/20/15/573302015.db2.gz DXRJJIZMZJUFKK-YLWLKBPMSA-N 0 0 169.249 1.679 10 0 ADAERN CCc1nnc2c(Cl)cccn12 258001757 573302021 /nfs/dbraw/zinc/30/20/21/573302021.db2.gz BCBDKGXQRIPMPN-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN CC(C)[C@]1(O)C[C@@H]1C 86197886 573302026 /nfs/dbraw/zinc/30/20/26/573302026.db2.gz CVWBPSUFMGFOIY-NKWVEPMBSA-N 0 0 114.188 1.413 10 0 ADAERN C[N@@H+]1CCC[C@H]1[C@@]1(C)C[C@@H]1C(=O)[O-] 259072720 573302031 /nfs/dbraw/zinc/30/20/31/573302031.db2.gz CATDAVHVKNDLTH-WEDXCCLWSA-N 0 0 183.251 1.191 10 0 ADAERN Cc1ccc(-n2nnc(N)c2C)cc1 74277416 573302035 /nfs/dbraw/zinc/30/20/35/573302035.db2.gz MBOQWFXUFWILDU-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CN[C@H](OC)c1cc(F)ccc1F 259410816 573302051 /nfs/dbraw/zinc/30/20/51/573302051.db2.gz XPBUAABUAVPEDX-SECBINFHSA-N 0 0 187.189 1.829 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccco1 86198571 573305260 /nfs/dbraw/zinc/30/52/60/573305260.db2.gz JJNSFNHCJIXIMA-SVRRBLITSA-N 0 0 138.166 1.507 10 0 ADAERN C=Cc1ccc(N)c(C)n1 209764200 573310768 /nfs/dbraw/zinc/31/07/68/573310768.db2.gz ZELINYRIESWWBR-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN CC[NH2+]CCc1ccc(N)c([S-])c1 259076292 573304693 /nfs/dbraw/zinc/30/46/93/573304693.db2.gz CFTKFGFZIOKOFG-UHFFFAOYSA-N 0 0 196.319 1.710 10 0 ADAERN C[C@H](O)Cc1cccc(CNO)c1 259408353 573303621 /nfs/dbraw/zinc/30/36/21/573303621.db2.gz JOESFJSMTFMSGK-QMMMGPOBSA-N 0 0 181.235 1.089 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccco1 86198569 573303637 /nfs/dbraw/zinc/30/36/37/573303637.db2.gz JJNSFNHCJIXIMA-POYBYMJQSA-N 0 0 138.166 1.507 10 0 ADAERN CNC(=O)N(C)C(=O)OC(C)(C)C 238338753 573303640 /nfs/dbraw/zinc/30/36/40/573303640.db2.gz BZUFMSFFOSAWEG-UHFFFAOYSA-N 0 0 188.227 1.193 10 0 ADAERN COCN(C)Cc1cc[nH]c1 259079580 573304628 /nfs/dbraw/zinc/30/46/28/573304628.db2.gz MLTJWDBTTKSMPS-UHFFFAOYSA-N 0 0 154.213 1.050 10 0 ADAERN Cc1ncc(-c2nc(N)no2)s1 74300984 573306785 /nfs/dbraw/zinc/30/67/85/573306785.db2.gz MRZMFXLNGUJTQU-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CC(C)[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)[O-] 308545140 573306934 /nfs/dbraw/zinc/30/69/34/573306934.db2.gz PHLVWQQKKRZLTC-DTWKUNHWSA-N 0 0 199.294 1.874 10 0 ADAERN C=C(NC(=O)Nc1ccccc1)OC 238339034 573303675 /nfs/dbraw/zinc/30/36/75/573303675.db2.gz AMLZBYRMRNAGPD-UHFFFAOYSA-N 0 0 192.218 1.926 10 0 ADAERN O=C1CCN[C@@H](c2nccs2)C1 74300535 573303677 /nfs/dbraw/zinc/30/36/77/573303677.db2.gz DSOQMVNATVISQF-SSDOTTSWSA-N 0 0 182.248 1.137 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1snnc1C 86200083 573303690 /nfs/dbraw/zinc/30/36/90/573303690.db2.gz MPESETOUICXLFU-HTRCEHHLSA-N 0 0 184.264 1.464 10 0 ADAERN CCC[C@]1(O)C[C@@H]1CC 86200089 573303728 /nfs/dbraw/zinc/30/37/28/573303728.db2.gz RXHXRQOOPHBQNK-YUMQZZPRSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1cc([C@@H](NN)N(C)C)ccc1F 259075850 573303737 /nfs/dbraw/zinc/30/37/37/573303737.db2.gz FASHBHJAUROYAI-JTQLQIEISA-N 0 0 197.257 1.158 10 0 ADAERN O=c1oc2cccc(CCO)c2s1 258001390 573303741 /nfs/dbraw/zinc/30/37/41/573303741.db2.gz GNQNCQAUBCUJRL-UHFFFAOYSA-N 0 0 196.227 1.389 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1snnc1C 86200086 573303757 /nfs/dbraw/zinc/30/37/57/573303757.db2.gz MPESETOUICXLFU-SVRRBLITSA-N 0 0 184.264 1.464 10 0 ADAERN Nc1noc2c1[C@H](F)CCC2 258625350 573303779 /nfs/dbraw/zinc/30/37/79/573303779.db2.gz WYNHKGQNMIIBHH-SCSAIBSYSA-N 0 0 156.160 1.604 10 0 ADAERN COC(=O)[C@H](c1ncccn1)C(C)C 259076239 573303800 /nfs/dbraw/zinc/30/38/00/573303800.db2.gz CEYHWGBTNWKTEW-QMMMGPOBSA-N 0 0 194.234 1.389 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cc(C)nn1C 86200056 573303818 /nfs/dbraw/zinc/30/38/18/573303818.db2.gz VIKCDLTVUORIDX-PSASIEDQSA-N 0 0 180.251 1.346 10 0 ADAERN CO[C@H]1C=C(CO)CCC1(C)C 238338809 573303827 /nfs/dbraw/zinc/30/38/27/573303827.db2.gz AAWFRPMUYVNFPD-VIFPVBQESA-N 0 0 170.252 1.740 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1ccncc1F 86199918 573303838 /nfs/dbraw/zinc/30/38/38/573303838.db2.gz XQPHMCCTPQRDEW-XVKPBYJWSA-N 0 0 181.210 1.838 10 0 ADAERN Cn1ccc(Br)c1N 106568889 573303840 /nfs/dbraw/zinc/30/38/40/573303840.db2.gz QIMROTVBHYAUKI-UHFFFAOYSA-N 0 0 175.029 1.370 10 0 ADAERN COc1ccc(Cl)c2nccn12 238339002 573303871 /nfs/dbraw/zinc/30/38/71/573303871.db2.gz TULJWYWDEGCDEU-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN CC[C@H]1C[C@]1(O)c1c[nH]nc1C 86199610 573303880 /nfs/dbraw/zinc/30/38/80/573303880.db2.gz UYMJIINNWPDWBD-IONNQARKSA-N 0 0 166.224 1.336 10 0 ADAERN CC[C@H]1C[C@]1(O)CC 86199592 573303888 /nfs/dbraw/zinc/30/38/88/573303888.db2.gz NNWOXVVHNGTGED-NKWVEPMBSA-N 0 0 114.188 1.557 10 0 ADAERN COCc1cccc(OC)c1[C@@H](C)O 258001394 573303901 /nfs/dbraw/zinc/30/39/01/573303901.db2.gz GNUQJZBCNQNROW-MRVPVSSYSA-N 0 0 196.246 1.895 10 0 ADAERN COc1cnc(N)c(C(F)F)c1C 238339224 573303911 /nfs/dbraw/zinc/30/39/11/573303911.db2.gz PZRODOUJQDJVSD-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cnn(C)c1C 86200142 573303924 /nfs/dbraw/zinc/30/39/24/573303924.db2.gz CQMKVORSCBLVSN-WPRPVWTQSA-N 0 0 180.251 1.346 10 0 ADAERN CCC[C@]1(O)C[C@H]1CC 86200093 573303935 /nfs/dbraw/zinc/30/39/35/573303935.db2.gz RXHXRQOOPHBQNK-SFYZADRCSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1ncsc1-c1nc(N)no1 74300978 573303937 /nfs/dbraw/zinc/30/39/37/573303937.db2.gz HMUSFKHCKOOAAA-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CN[C@@H]1N(C)CCC1(Cl)Cl 238338813 573303952 /nfs/dbraw/zinc/30/39/52/573303952.db2.gz CTLPIZJRNSBONB-RXMQYKEDSA-N 0 0 183.082 1.041 10 0 ADAERN CC[C@@H]1C[C@@]1(O)[C@@H]1CCCOC1 86199695 573303963 /nfs/dbraw/zinc/30/39/63/573303963.db2.gz FBEDFYVDYBTUJT-BBBLOLIVSA-N 0 0 170.252 1.574 10 0 ADAERN COCNc1ccc(F)cc1F 238338836 573303985 /nfs/dbraw/zinc/30/39/85/573303985.db2.gz RQBIQEWYHQRAIP-UHFFFAOYSA-N 0 0 173.162 1.981 10 0 ADAERN c1cnnc(C[C@@H]2CCCOC2)c1 259408111 573303986 /nfs/dbraw/zinc/30/39/86/573303986.db2.gz JMGDLVHWYGWMBJ-VIFPVBQESA-N 0 0 178.235 1.446 10 0 ADAERN COc1cnc(N)c(C(F)F)c1 238339185 573303992 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573307650 /nfs/dbraw/zinc/30/76/50/573307650.db2.gz TUEGKTDHUCFRQP-UHFFFAOYSA-N 0 0 176.281 1.939 10 0 ADAERN C#[N+]c1ccc(N)cc1C(=O)[O-] 106566358 573307655 /nfs/dbraw/zinc/30/76/55/573307655.db2.gz GEFLCGHDPXCKDN-UHFFFAOYSA-N 0 0 162.148 1.518 10 0 ADAERN COc1cc(C(F)F)c(C)nc1N 238340552 573307675 /nfs/dbraw/zinc/30/76/75/573307675.db2.gz AKEALAVTGKZZPF-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CCO[C@@H](CC)[C@@H](O)c1cn(C)cn1 308543122 573307694 /nfs/dbraw/zinc/30/76/94/573307694.db2.gz NFMXNICFVLMYKN-UWVGGRQHSA-N 0 0 198.266 1.269 10 0 ADAERN CCC(CC)CNO 116838844 573307721 /nfs/dbraw/zinc/30/77/21/573307721.db2.gz LWDHLMSQVUYHJJ-UHFFFAOYSA-N 0 0 117.192 1.401 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cccnc1OC 86200387 573308022 /nfs/dbraw/zinc/30/80/22/573308022.db2.gz RYVYUNIDWVTVJP-GZMMTYOYSA-N 0 0 193.246 1.708 10 0 ADAERN CCO[C@@H](CC)[C@H](O)c1cn(C)cn1 308543124 573307760 /nfs/dbraw/zinc/30/77/60/573307760.db2.gz NFMXNICFVLMYKN-VHSXEESVSA-N 0 0 198.266 1.269 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cccnc1OC 86200391 573307761 /nfs/dbraw/zinc/30/77/61/573307761.db2.gz RYVYUNIDWVTVJP-KWQFWETISA-N 0 0 193.246 1.708 10 0 ADAERN COC(=O)[C@@H]1CCc2ccncc2C1 259606403 573307764 /nfs/dbraw/zinc/30/77/64/573307764.db2.gz DKYZFHHUPMRIQE-SECBINFHSA-N 0 0 191.230 1.360 10 0 ADAERN CC[C@H]1C[C@]1(O)c1ccnn1C 86200968 573307768 /nfs/dbraw/zinc/30/77/68/573307768.db2.gz KMJIDHJFQVWWFM-IONNQARKSA-N 0 0 166.224 1.038 10 0 ADAERN O=C1CC[C@H](c2ccc(F)cc2F)N1 223980811 573307781 /nfs/dbraw/zinc/30/77/81/573307781.db2.gz BKCHZUBCMLATJP-SECBINFHSA-N 0 0 197.184 1.916 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cnco1 86200701 573307783 /nfs/dbraw/zinc/30/77/83/573307783.db2.gz GOSQBEYWIAQUET-HTRCEHHLSA-N 0 0 153.181 1.292 10 0 ADAERN CO[C@H]1CC(=O)CC(C)(C)S1 238340650 573307785 /nfs/dbraw/zinc/30/77/85/573307785.db2.gz KJHOUXMBPMQOKO-SSDOTTSWSA-N 0 0 174.265 1.834 10 0 ADAERN Cc1coc([C@@]2(O)COCC2(C)C)c1 715765113 573307786 /nfs/dbraw/zinc/30/77/86/573307786.db2.gz ZDJMQKNXVZUAOP-NSHDSACASA-N 0 0 196.246 1.832 10 0 ADAERN COC(=O)[C@@H](c1ncccn1)C(C)C 259076237 573307789 /nfs/dbraw/zinc/30/77/89/573307789.db2.gz CEYHWGBTNWKTEW-MRVPVSSYSA-N 0 0 194.234 1.389 10 0 ADAERN COCn1cnc2ccc(O)cc21 238340721 573307793 /nfs/dbraw/zinc/30/77/93/573307793.db2.gz MFMAPWDXKGUXQP-UHFFFAOYSA-N 0 0 178.191 1.346 10 0 ADAERN CN[C@H](C)c1noc(-c2ccco2)n1 258000413 573308026 /nfs/dbraw/zinc/30/80/26/573308026.db2.gz MBJSODRZIBXAEA-ZCFIWIBFSA-N 0 0 193.206 1.610 10 0 ADAERN CC[C@@H]1C[C@@]1(O)CCOC 86200441 573307847 /nfs/dbraw/zinc/30/78/47/573307847.db2.gz RNXDZJQLILQSHK-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H](O)[C@@H](O)c1cccc(Cl)c1 223985808 573307865 /nfs/dbraw/zinc/30/78/65/573307865.db2.gz UJAQLWQTWMJEAX-IMTBSYHQSA-N 0 0 186.638 1.754 10 0 ADAERN CC[C@@]1(CO)Cc2ccccc2N1 258253787 573307869 /nfs/dbraw/zinc/30/78/69/573307869.db2.gz RNCCCTVGWRSOHP-NSHDSACASA-N 0 0 177.247 1.796 10 0 ADAERN COc1cncc([C@H](O)C(C)C)c1 124030246 573307875 /nfs/dbraw/zinc/30/78/75/573307875.db2.gz 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236139422 573308580 /nfs/dbraw/zinc/30/85/80/573308580.db2.gz ATWXCPQXVLYTSE-VIFPVBQESA-N 0 0 192.266 1.013 10 0 ADAERN Cn1c(C=O)nc2ccc(F)cc21 74306649 573308592 /nfs/dbraw/zinc/30/85/92/573308592.db2.gz JKDIMHCNOGDNBX-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cscn1 86200853 573308614 /nfs/dbraw/zinc/30/86/14/573308614.db2.gz CHOAGRAAVADMCL-XPUUQOCRSA-N 0 0 169.249 1.761 10 0 ADAERN CC[N@@H+]1CCC[C@H](/C=C\C(=O)[O-])C1 258255442 573308632 /nfs/dbraw/zinc/30/86/32/573308632.db2.gz QYNBYJZGMXFXNE-SSJHQANKSA-N 0 0 183.251 1.359 10 0 ADAERN CCc1nc2c(o1)C[C@@H](O)CC2 258002049 573308641 /nfs/dbraw/zinc/30/86/41/573308641.db2.gz OVQVUUNPBIBTBK-LURJTMIESA-N 0 0 167.208 1.087 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cccnc1OC 86200384 573308643 /nfs/dbraw/zinc/30/86/43/573308643.db2.gz RYVYUNIDWVTVJP-LDYMZIIASA-N 0 0 193.246 1.708 10 0 ADAERN CCC[C@@H](O)COc1cccc(O)c1 258000187 573308657 /nfs/dbraw/zinc/30/86/57/573308657.db2.gz DSRDJRNVFKXFQK-SNVBAGLBSA-N 0 0 196.246 1.932 10 0 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/nfs/dbraw/zinc/30/93/59/573309359.db2.gz CPTYPVZJLHPRCN-SFYZADRCSA-N 0 0 128.215 1.803 10 0 ADAERN Cc1nc(N)c(Br)s1 259080242 573309376 /nfs/dbraw/zinc/30/93/76/573309376.db2.gz BFGQGYMIFWFIAM-UHFFFAOYSA-N 0 0 193.069 1.796 10 0 ADAERN CC(=O)Cc1nccc(CC(C)C)n1 259083251 573309384 /nfs/dbraw/zinc/30/93/84/573309384.db2.gz MEJVPBOBOINGSE-UHFFFAOYSA-N 0 0 192.262 1.807 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cnco1 86200706 573309389 /nfs/dbraw/zinc/30/93/89/573309389.db2.gz GOSQBEYWIAQUET-XPUUQOCRSA-N 0 0 153.181 1.292 10 0 ADAERN COc1cc(C(F)F)c(O)c(F)n1 238346746 573309395 /nfs/dbraw/zinc/30/93/95/573309395.db2.gz ILWNVNDVZDEKAK-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CCc1nnsc1[C@]1(O)C[C@H]1CC 86201366 573309406 /nfs/dbraw/zinc/30/94/06/573309406.db2.gz KYDWBOWSRYBKHX-MUWHJKNJSA-N 0 0 198.291 1.718 10 0 ADAERN CC(C)[N@H+]1CC=C(CC(=O)[O-])CC1 258255451 573309781 /nfs/dbraw/zinc/30/97/81/573309781.db2.gz YCPOFKZWBCIHGK-UHFFFAOYSA-N 0 0 183.251 1.502 10 0 ADAERN CC[C@H]1C[C@@]1(O)C1CCC1 86200791 573309432 /nfs/dbraw/zinc/30/94/32/573309432.db2.gz DRFNKGSOXLQXRR-CBAPKCEASA-N 0 0 140.226 1.948 10 0 ADAERN C[C@H](O)[C@H](O)c1cccc(Cl)c1 223985701 573309436 /nfs/dbraw/zinc/30/94/36/573309436.db2.gz UJAQLWQTWMJEAX-RCOVLWMOSA-N 0 0 186.638 1.754 10 0 ADAERN COc1ccccc1C1NCCCN1 238345138 573309451 /nfs/dbraw/zinc/30/94/51/573309451.db2.gz QKNUVHHCUJGECJ-UHFFFAOYSA-N 0 0 192.262 1.277 10 0 ADAERN CC[C@@H]1C[C@@]1(O)[C@@H]1CCSC1 86201434 573309501 /nfs/dbraw/zinc/30/95/01/573309501.db2.gz PKLRIEUIJZZIHA-HLTSFMKQSA-N 0 0 172.293 1.901 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1ccnn1C 86200966 573309545 /nfs/dbraw/zinc/30/95/45/573309545.db2.gz KMJIDHJFQVWWFM-VXNVDRBHSA-N 0 0 166.224 1.038 10 0 ADAERN O=C1CC[C@@H](c2ccc(F)cc2F)N1 223980763 573309548 /nfs/dbraw/zinc/30/95/48/573309548.db2.gz BKCHZUBCMLATJP-VIFPVBQESA-N 0 0 197.184 1.916 10 0 ADAERN C=CS(=O)(=O)N1CCC[C@@H](C)C1 116856578 573309791 /nfs/dbraw/zinc/30/97/91/573309791.db2.gz JAXFFEACCYASNG-MRVPVSSYSA-N 0 0 189.280 1.192 10 0 ADAERN 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KYDWBOWSRYBKHX-HZGVNTEJSA-N 0 0 198.291 1.718 10 0 ADAERN CCO[C@H](CC)[C@@H](O)c1cn(C)cn1 308543125 573309644 /nfs/dbraw/zinc/30/96/44/573309644.db2.gz NFMXNICFVLMYKN-ZJUUUORDSA-N 0 0 198.266 1.269 10 0 ADAERN O=C(C1CCC1)C1CCC(O)CC1 259082008 573309651 /nfs/dbraw/zinc/30/96/51/573309651.db2.gz FOUGAWDYNHRWJE-UHFFFAOYSA-N 0 0 182.263 1.907 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1csnn1 86200367 573309660 /nfs/dbraw/zinc/30/96/60/573309660.db2.gz MZXZMEXKEUCSCT-VDTYLAMSSA-N 0 0 170.237 1.156 10 0 ADAERN CON(C)C(=O)c1cc(C)cnc1C 238346722 573309663 /nfs/dbraw/zinc/30/96/63/573309663.db2.gz NJCDBRFLSVVJFK-UHFFFAOYSA-N 0 0 194.234 1.332 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cn[nH]c1 86201111 573309733 /nfs/dbraw/zinc/30/97/33/573309733.db2.gz KHSPHADNUFHVFH-HTRCEHHLSA-N 0 0 152.197 1.027 10 0 ADAERN CC[C@H]1C[C@]1(O)C1CCC1 86200786 573309682 /nfs/dbraw/zinc/30/96/82/573309682.db2.gz DRFNKGSOXLQXRR-IONNQARKSA-N 0 0 140.226 1.948 10 0 ADAERN O=Cc1c[nH]c(-c2cscn2)n1 74305363 573309712 /nfs/dbraw/zinc/30/97/12/573309712.db2.gz QWPCNGCRUVJUEV-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN CCCc1nnc([C@@H]2OCC[C@@H]2C)[nH]1 124041553 573310417 /nfs/dbraw/zinc/31/04/17/573310417.db2.gz NIRUBZWYPDURHV-IONNQARKSA-N 0 0 195.266 1.855 10 0 ADAERN CCc1cc(CC)n(CC(C)=O)n1 132507592 573310428 /nfs/dbraw/zinc/31/04/28/573310428.db2.gz ZDHYJTLGQJUKSW-UHFFFAOYSA-N 0 0 180.251 1.597 10 0 ADAERN COc1cc(F)c(C(F)F)c(N)n1 238345248 573310431 /nfs/dbraw/zinc/31/04/31/573310431.db2.gz PMPGSCGCJNLRDA-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CNc1nc(-c2cccnc2)c[nH]1 259081376 573310434 /nfs/dbraw/zinc/31/04/34/573310434.db2.gz LVBIWGQNOUYQJW-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CC[C@H](CC(C)(C)C(=O)[O-])[NH+](C)C 259607001 573310437 /nfs/dbraw/zinc/31/04/37/573310437.db2.gz QSGIAZRUTKNWQA-MRVPVSSYSA-N 0 0 187.283 1.828 10 0 ADAERN Cc1ncoc1-c1cnc(CN)o1 74305536 573310455 /nfs/dbraw/zinc/31/04/55/573310455.db2.gz KXUQIWSOIYFVBE-UHFFFAOYSA-N 0 0 179.179 1.097 10 0 ADAERN CN1C[C@@H](c2ccc(O)cc2)CC1=O 238346174 573310465 /nfs/dbraw/zinc/31/04/65/573310465.db2.gz YYSPPLFZMIFONR-VIFPVBQESA-N 0 0 191.230 1.338 10 0 ADAERN C[C@H]1CCO[C@@H]1c1nnc(C2CC2)[nH]1 124042023 573310472 /nfs/dbraw/zinc/31/04/72/573310472.db2.gz PPWFGVOLBVWWOM-XPUUQOCRSA-N 0 0 193.250 1.780 10 0 ADAERN COc1cncc(C=O)c1C(F)F 238345478 573310502 /nfs/dbraw/zinc/31/05/02/573310502.db2.gz HQAJYWPJDKGKBP-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CC(C)c1ccc(N(C)C#N)nn1 259413992 573310517 /nfs/dbraw/zinc/31/05/17/573310517.db2.gz WGPLHXRNHNMDRT-UHFFFAOYSA-N 0 0 176.223 1.517 10 0 ADAERN COC(=O)c1c(C2CC2)nc(C)n1O 259413163 573310526 /nfs/dbraw/zinc/31/05/26/573310526.db2.gz KPYCLIQXTDEYBB-UHFFFAOYSA-N 0 0 196.206 1.093 10 0 ADAERN Cc1nc(N)c(-c2ccccn2)[nH]1 106775337 573310527 /nfs/dbraw/zinc/31/05/27/573310527.db2.gz KFOPCUTYYQLQRS-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CO[C@H]1CCCC[C@@]1(C)CO 238346690 573310560 /nfs/dbraw/zinc/31/05/60/573310560.db2.gz JJDYGEKCAZARBR-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN C/C=C\C(=O)O[C@@H]1CCC[C@@H]1CO 214338786 573310531 /nfs/dbraw/zinc/31/05/31/573310531.db2.gz QXNYXAQASDMPPV-HWTYGCMBSA-N 0 0 184.235 1.267 10 0 ADAERN COC(=O)[C@H](N[C@@H]1CC[C@H]1C)C(C)C 308547250 573310558 /nfs/dbraw/zinc/31/05/58/573310558.db2.gz QCBZRHSYQULKRT-OPRDCNLKSA-N 0 0 199.294 1.572 10 0 ADAERN COc1c(C(C)(C)C)nc(C)[nH]c1=O 238345969 573310589 /nfs/dbraw/zinc/31/05/89/573310589.db2.gz BAIPHISCDBTJTP-UHFFFAOYSA-N 0 0 196.250 1.384 10 0 ADAERN C=Cc1cnc(C)c(N)c1 209765868 573310613 /nfs/dbraw/zinc/31/06/13/573310613.db2.gz FOCKRMYUYIFSRM-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN Cc1cc(C)n(C)c1N 106716600 573310651 /nfs/dbraw/zinc/31/06/51/573310651.db2.gz QMMBLYGXPPTAIK-UHFFFAOYSA-N 0 0 124.187 1.224 10 0 ADAERN CCC[C@H]1NCC(=O)N1C1CCC1 124045596 573311570 /nfs/dbraw/zinc/31/15/70/573311570.db2.gz XGLMJYDFBDTMQN-VIFPVBQESA-N 0 0 182.267 1.097 10 0 ADAERN C/C=C\C(=O)O[C@@H]1CCC[C@@H]1O 214338346 573310663 /nfs/dbraw/zinc/31/06/63/573310663.db2.gz MMKOBZLMDPCZSO-JCIYNLPVSA-N 0 0 170.208 1.019 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nnc(C2CC2)[nH]1 124042306 573310671 /nfs/dbraw/zinc/31/06/71/573310671.db2.gz PPWFGVOLBVWWOM-HTRCEHHLSA-N 0 0 193.250 1.780 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1cnccn1 86203932 573310684 /nfs/dbraw/zinc/31/06/84/573310684.db2.gz QZIHNMXTZMEGFD-WCBMZHEXSA-N 0 0 178.235 1.484 10 0 ADAERN CCC[C@@H]1C[C@]1(C)O 86203000 573310704 /nfs/dbraw/zinc/31/07/04/573310704.db2.gz WSXVVIODIONAKH-RQJHMYQMSA-N 0 0 114.188 1.557 10 0 ADAERN C[C@H](O)Cc1cccc2c1C[C@H](C)N2 258253252 573310737 /nfs/dbraw/zinc/31/07/37/573310737.db2.gz XWPDAYFAMAKMJX-IUCAKERBSA-N 0 0 191.274 1.966 10 0 ADAERN NOCc1cccc2c1COC2 258000842 573310738 /nfs/dbraw/zinc/31/07/38/573310738.db2.gz LUJNOQAOOLMVGI-UHFFFAOYSA-N 0 0 165.192 1.107 10 0 ADAERN CC/C(=C\c1cccnc1)CO 86209211 573310757 /nfs/dbraw/zinc/31/07/57/573310757.db2.gz NFVUIFOFFXNSMH-RMKNXTFCSA-N 0 0 163.220 1.867 10 0 ADAERN C[C@H](O)Cc1cccc2c1C[C@@H](C)N2 258253247 573311661 /nfs/dbraw/zinc/31/16/61/573311661.db2.gz XWPDAYFAMAKMJX-BDAKNGLRSA-N 0 0 191.274 1.966 10 0 ADAERN COc1c[nH]cc(C(F)F)c1=O 238344998 573310814 /nfs/dbraw/zinc/31/08/14/573310814.db2.gz ASEFNRBPXAUQHP-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN Cc1cc(-c2nc(N)no2)c(C)o1 74305525 573310829 /nfs/dbraw/zinc/31/08/29/573310829.db2.gz BRMUVUSMTBBZIB-UHFFFAOYSA-N 0 0 179.179 1.529 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cnns1 86203453 573310848 /nfs/dbraw/zinc/31/08/48/573310848.db2.gz XOEIMARPXRLOOV-HTRCEHHLSA-N 0 0 184.264 1.546 10 0 ADAERN C[C@@H](O)c1cc2cccc(O)c2[nH]1 258253815 573310863 /nfs/dbraw/zinc/31/08/63/573310863.db2.gz RNKPZYGVHDVNEV-ZCFIWIBFSA-N 0 0 177.203 1.927 10 0 ADAERN c1coc(CNCc2ccnnc2)c1 132453918 573310876 /nfs/dbraw/zinc/31/08/76/573310876.db2.gz CGSNBQRRPXYAAP-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN CCC[C@H]1N[C@H](CC(C)C)C(=O)N1C 132521565 573310918 /nfs/dbraw/zinc/31/09/18/573310918.db2.gz ZEKFMAHLCJURFV-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN COc1cc(C(F)F)c(N)nc1C 238346168 573310932 /nfs/dbraw/zinc/31/09/32/573310932.db2.gz SPCTVHXTHKEHGS-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN COc1cncc(C(F)F)c1CO 238344885 573310963 /nfs/dbraw/zinc/31/09/63/573310963.db2.gz XLOSQRKYNQMSBC-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CC(C)c1ccnc(CCCO)n1 259083231 573310979 /nfs/dbraw/zinc/31/09/79/573310979.db2.gz MDTAKGRYYFWYIV-UHFFFAOYSA-N 0 0 180.251 1.525 10 0 ADAERN C=Cc1ncc(C)cc1N 209759930 573311006 /nfs/dbraw/zinc/31/10/06/573311006.db2.gz TYCPAZSDHBGNKO-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN CC(C)(CO)c1cc(O)ccc1F 258001354 573311015 /nfs/dbraw/zinc/31/10/15/573311015.db2.gz GNCLPLHFTKCJHH-UHFFFAOYSA-N 0 0 184.210 1.801 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cnc(C)cn1 86203275 573311016 /nfs/dbraw/zinc/31/10/16/573311016.db2.gz GEUBIATXAOFXAG-KOLCDFICSA-N 0 0 192.262 1.793 10 0 ADAERN C[N@@H+]1CCC[C@@H](CC(=O)[O-])[C@@H]1C1CC1 238345447 573311018 /nfs/dbraw/zinc/31/10/18/573311018.db2.gz BKFAVOJJFLFEMU-ONGXEEELSA-N 0 0 197.278 1.582 10 0 ADAERN C=Cc1cc(CO)ncc1C 209761286 573311037 /nfs/dbraw/zinc/31/10/37/573311037.db2.gz VOLIUJVKKAVOBO-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cnn(C)c1C 86203174 573311039 /nfs/dbraw/zinc/31/10/39/573311039.db2.gz OWSBWZTWHHVLAN-KOLCDFICSA-N 0 0 194.278 1.736 10 0 ADAERN CC/C(=C\c1cnn(C)c1)CO 86209191 573311059 /nfs/dbraw/zinc/31/10/59/573311059.db2.gz MLBKFLQONKQJIX-XBXARRHUSA-N 0 0 166.224 1.206 10 0 ADAERN COc1ccc(Cl)nc1C[NH3+] 238344990 573311061 /nfs/dbraw/zinc/31/10/61/573311061.db2.gz BTNXJHMAIXNHHI-UHFFFAOYSA-N 0 0 172.615 1.202 10 0 ADAERN C=Cc1cc(C)cnc1N 209761554 573311062 /nfs/dbraw/zinc/31/10/62/573311062.db2.gz QFGCZRWUASCECG-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1ccnn1C 86203849 573311067 /nfs/dbraw/zinc/31/10/67/573311067.db2.gz PSVIDKUQWRTYFS-WCBMZHEXSA-N 0 0 180.251 1.428 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cn[nH]c1 86203997 573311091 /nfs/dbraw/zinc/31/10/91/573311091.db2.gz YPEPCRZEJDWDHB-APPZFPTMSA-N 0 0 166.224 1.417 10 0 ADAERN Cc1ccncc1N1CC[C@H](CO)C1 82946017 573311095 /nfs/dbraw/zinc/31/10/95/573311095.db2.gz JMPPDEPWDPQYQT-JTQLQIEISA-N 0 0 192.262 1.209 10 0 ADAERN OC1(c2cc[nH]n2)CCCC1 117032541 573311098 /nfs/dbraw/zinc/31/10/98/573311098.db2.gz UFJGGTIBXWVWBI-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN COC(=O)C[C@@H]1C[C@@H](C)CC1=O 238345118 573311110 /nfs/dbraw/zinc/31/11/10/573311110.db2.gz UERJBFIITTXURS-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN COC(=O)[C@H](C)NCC1CC(C)(C)C1 308546258 573311115 /nfs/dbraw/zinc/31/11/15/573311115.db2.gz VUZFFDMMZKASSP-QMMMGPOBSA-N 0 0 199.294 1.574 10 0 ADAERN CCCC[C@@H]1C=C[C@H](CO)C[C@@H]1O 214336862 573311132 /nfs/dbraw/zinc/31/11/32/573311132.db2.gz NYJSRMQRIODCGQ-AXFHLTTASA-N 0 0 184.279 1.722 10 0 ADAERN CC(C)[C@@H]1NCN(CCC2CC2)C1=O 129461485 573311151 /nfs/dbraw/zinc/31/11/51/573311151.db2.gz OUSNCOYAYTVTLK-JTQLQIEISA-N 0 0 196.294 1.200 10 0 ADAERN COc1ccc(C(=O)CO)c(C)c1 238346108 573311156 /nfs/dbraw/zinc/31/11/56/573311156.db2.gz VOUCIKBGEKROJX-UHFFFAOYSA-N 0 0 180.203 1.179 10 0 ADAERN CNc1cnc(F)c(Cl)c1 238346050 573311164 /nfs/dbraw/zinc/31/11/64/573311164.db2.gz HDNVVQAGUXARKP-UHFFFAOYSA-N 0 0 160.579 1.916 10 0 ADAERN COc1cc(C(F)F)c(N)c(C)n1 238345850 573311177 /nfs/dbraw/zinc/31/11/77/573311177.db2.gz JTXOXOMXSKKWJM-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CO[C@H]1CCC=C2CCC(=O)N21 238345024 573311195 /nfs/dbraw/zinc/31/11/95/573311195.db2.gz IIDCIBYDYQXQOJ-VIFPVBQESA-N 0 0 167.208 1.259 10 0 ADAERN CCCc1ccnc(C2(CO)CC2)n1 259079138 573311197 /nfs/dbraw/zinc/31/11/97/573311197.db2.gz LQVPTROZMADNBP-UHFFFAOYSA-N 0 0 192.262 1.453 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+]C[C@H](C)C1CC1 132517768 573311220 /nfs/dbraw/zinc/31/12/20/573311220.db2.gz FWASCDGJYQBQAH-IUCAKERBSA-N 0 0 199.294 1.875 10 0 ADAERN CC/C(=C\c1cccn1C)CO 86209310 573311267 /nfs/dbraw/zinc/31/12/67/573311267.db2.gz ZCCBKDVNMRSROK-VQHVLOKHSA-N 0 0 165.236 1.811 10 0 ADAERN CC(C)/C(=C\C1CCOCC1)CO 86209409 573311275 /nfs/dbraw/zinc/31/12/75/573311275.db2.gz SSPGWDXBXROPDR-XFFZJAGNSA-N 0 0 184.279 1.988 10 0 ADAERN Cc1nc(N)c(-c2cccnc2)[nH]1 106775340 573311281 /nfs/dbraw/zinc/31/12/81/573311281.db2.gz HUUYHDZBSYPKGX-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN O=Cc1c[nH]c(-c2cncs2)n1 74305370 573311313 /nfs/dbraw/zinc/31/13/13/573311313.db2.gz IPJKQNUTBDDGCN-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cnc(C)cn1 86203270 573311327 /nfs/dbraw/zinc/31/13/27/573311327.db2.gz GEUBIATXAOFXAG-MWLCHTKSSA-N 0 0 192.262 1.793 10 0 ADAERN O=C1N[C@H](C2CC2)c2cc(O)ccc21 221377187 573311333 /nfs/dbraw/zinc/31/13/33/573311333.db2.gz MWKAHQGPLMCXFY-SNVBAGLBSA-N 0 0 189.214 1.587 10 0 ADAERN Cc1cc2nncn2c2cc(N)ccc12 258001192 573311342 /nfs/dbraw/zinc/31/13/42/573311342.db2.gz GJGYXSVNKZLVET-UHFFFAOYSA-N 0 0 198.229 1.773 10 0 ADAERN CC/C(=C\C1CC1)CO 86209315 573311347 /nfs/dbraw/zinc/31/13/47/573311347.db2.gz BPHGYAMUIGLQSE-FNORWQNLSA-N 0 0 126.199 1.725 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nnc(C2CC2)[nH]1 124041780 573311367 /nfs/dbraw/zinc/31/13/67/573311367.db2.gz PPWFGVOLBVWWOM-SVRRBLITSA-N 0 0 193.250 1.780 10 0 ADAERN C[C@H]1COc2cc(F)ccc2NC1=O 259415288 573311692 /nfs/dbraw/zinc/31/16/92/573311692.db2.gz XZHUOWNXJZIZEZ-LURJTMIESA-N 0 0 195.193 1.793 10 0 ADAERN Cc1cc(C[NH3+])c(F)c([O-])c1Cl 258001364 573311393 /nfs/dbraw/zinc/31/13/93/573311393.db2.gz GNJNYMRBDIGVDH-UHFFFAOYSA-N 0 0 189.617 1.952 10 0 ADAERN Nc1nc[nH]c1-c1cccs1 106774604 573311420 /nfs/dbraw/zinc/31/14/20/573311420.db2.gz GFFQQUVLZDGOMN-UHFFFAOYSA-N 0 0 165.221 1.720 10 0 ADAERN OCC(F)(F)[C@H]1CCCCO1 258627532 573311431 /nfs/dbraw/zinc/31/14/31/573311431.db2.gz XHMJLDIUNALQID-ZCFIWIBFSA-N 0 0 166.167 1.183 10 0 ADAERN Nc1nc[nH]c1-c1cccc(F)c1 106775547 573311443 /nfs/dbraw/zinc/31/14/43/573311443.db2.gz PJEBIHRGJOYALK-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1c[nH]nc1C 86202670 573311497 /nfs/dbraw/zinc/31/14/97/573311497.db2.gz IUYCOHXFASXSAT-WPRPVWTQSA-N 0 0 180.251 1.726 10 0 ADAERN OCc1ccc(-c2cccnc2)cn1 198091985 573311512 /nfs/dbraw/zinc/31/15/12/573311512.db2.gz JAKISKVAFQNBBO-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN C[C@H](N)c1nc2cccc(F)c2o1 74304154 573311513 /nfs/dbraw/zinc/31/15/13/573311513.db2.gz AJVWLGALUYGWEH-YFKPBYRVSA-N 0 0 180.182 1.987 10 0 ADAERN Nc1oncc1[C@@H]1CCCCO1 258627546 573311519 /nfs/dbraw/zinc/31/15/19/573311519.db2.gz XHVABIYSXHCOLJ-ZETCQYMHSA-N 0 0 168.196 1.498 10 0 ADAERN CC(C)Oc1cncc([C@H](C)O)c1 124047109 573311531 /nfs/dbraw/zinc/31/15/31/573311531.db2.gz VDCPFNINHRDVIO-QMMMGPOBSA-N 0 0 181.235 1.922 10 0 ADAERN CC(C)/C(=C\[C@H]1CCCOC1)CO 86209456 573311537 /nfs/dbraw/zinc/31/15/37/573311537.db2.gz ZLFNAQLYZMHXJO-CHPNCVJKSA-N 0 0 184.279 1.988 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1cnn(C)c1C 86203172 573311710 /nfs/dbraw/zinc/31/17/10/573311710.db2.gz OWSBWZTWHHVLAN-GXSJLCMTSA-N 0 0 194.278 1.736 10 0 ADAERN CCC[C@@H]1C[C@@]1(C)O 86202996 573311619 /nfs/dbraw/zinc/31/16/19/573311619.db2.gz WSXVVIODIONAKH-RNFRBKRXSA-N 0 0 114.188 1.557 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cnn(C)c1 86203434 573311649 /nfs/dbraw/zinc/31/16/49/573311649.db2.gz FQXUNRSFIBHBID-WPRPVWTQSA-N 0 0 180.251 1.428 10 0 ADAERN C/C=C/C(=O)O[C@@H](C)C(C)=O 117010324 573311655 /nfs/dbraw/zinc/31/16/55/573311655.db2.gz XOCPRAXXEVUZQT-KPJROHGDSA-N 0 0 156.181 1.083 10 0 ADAERN Nc1oncc1[C@H]1CCCCO1 258627543 573311659 /nfs/dbraw/zinc/31/16/59/573311659.db2.gz XHVABIYSXHCOLJ-SSDOTTSWSA-N 0 0 168.196 1.498 10 0 ADAERN Cn1ccc(C[C@H](O)CC(C)(C)C)n1 124050487 573312580 /nfs/dbraw/zinc/31/25/80/573312580.db2.gz AEVADSVQVBQNRX-JTQLQIEISA-N 0 0 196.294 1.760 10 0 ADAERN CO[C@@H]1CC=C(CO)CC1 238344872 573312650 /nfs/dbraw/zinc/31/26/50/573312650.db2.gz WTEYNFVFMQDLDU-MRVPVSSYSA-N 0 0 142.198 1.104 10 0 ADAERN OCCCCNc1cccnc1 259079396 573312652 /nfs/dbraw/zinc/31/26/52/573312652.db2.gz SQDGZSFFKQAUCI-UHFFFAOYSA-N 0 0 166.224 1.266 10 0 ADAERN COC(=O)c1nc(C)cc(C)c1N 238346634 573312658 /nfs/dbraw/zinc/31/26/58/573312658.db2.gz UNUQKZMCLKJYSK-UHFFFAOYSA-N 0 0 180.207 1.067 10 0 ADAERN CCCC[C@@H]1N[C@@H](C(C)C)N(C)C1=O 132495496 573312664 /nfs/dbraw/zinc/31/26/64/573312664.db2.gz IMZRFFNUCGJZJN-VHSXEESVSA-N 0 0 198.310 1.589 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1snnc1C 86203113 573312498 /nfs/dbraw/zinc/31/24/98/573312498.db2.gz DCXAAWXHDOKNLM-IONNQARKSA-N 0 0 198.291 1.854 10 0 ADAERN CCc1ccc(N(C)CC(C)=O)nn1 259414109 573312504 /nfs/dbraw/zinc/31/25/04/573312504.db2.gz WJDJGTLLNMBDPD-UHFFFAOYSA-N 0 0 193.250 1.064 10 0 ADAERN CN1C[C@@H](c2cccc(F)c2)OC1=O 238346231 573312552 /nfs/dbraw/zinc/31/25/52/573312552.db2.gz QYDSDKMLLMQHGG-VIFPVBQESA-N 0 0 195.193 1.949 10 0 ADAERN CC[C@@](C)(NCc1ccco1)C(N)=O 393661527 573312559 /nfs/dbraw/zinc/31/25/59/573312559.db2.gz XOLJGLBJURNNFZ-SNVBAGLBSA-N 0 0 196.250 1.023 10 0 ADAERN CC(C)[C@@H](Cc1cnn(C)n1)[C@H](C)O 308545877 573312565 /nfs/dbraw/zinc/31/25/65/573312565.db2.gz VQFRKSLNOKDFNZ-WCBMZHEXSA-N 0 0 197.282 1.011 10 0 ADAERN CO[C@H]1CCC=C[C@H]1CC(C)=O 238345164 573312569 /nfs/dbraw/zinc/31/25/69/573312569.db2.gz WJTCDHNMDBQHOE-UWVGGRQHSA-N 0 0 168.236 1.947 10 0 ADAERN COc1ccc(C2(O)CC2)c(O)c1C 258001297 573312617 /nfs/dbraw/zinc/31/26/17/573312617.db2.gz GMFDJLUJLQFHRL-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cnn(C)c1C 86203176 573312626 /nfs/dbraw/zinc/31/26/26/573312626.db2.gz OWSBWZTWHHVLAN-ONGXEEELSA-N 0 0 194.278 1.736 10 0 ADAERN Cn1ccc(C[C@@H](O)C(C)(C)C)n1 124049266 573312628 /nfs/dbraw/zinc/31/26/28/573312628.db2.gz SPEATUDENNNSNY-SECBINFHSA-N 0 0 182.267 1.370 10 0 ADAERN O[C@@H]1COC[C@H]1CCc1ccccc1 687958785 573312641 /nfs/dbraw/zinc/31/26/41/573312641.db2.gz GZKDOBPKXIMMPL-VXGBXAGGSA-N 0 0 192.258 1.627 10 0 ADAERN CC/C(=C\c1cncn1C)CO 86209197 573312673 /nfs/dbraw/zinc/31/26/73/573312673.db2.gz BYHKVDRLEMBLQZ-XBXARRHUSA-N 0 0 166.224 1.206 10 0 ADAERN COC(=O)[C@@](C)(O)C1CCCC1 116972120 573315249 /nfs/dbraw/zinc/31/52/49/573315249.db2.gz XWAUYIVXXNDQBR-VIFPVBQESA-N 0 0 172.224 1.101 10 0 ADAERN CO[C@@H](C(C)=O)C(C)(C)C 117108377 573318322 /nfs/dbraw/zinc/31/83/22/573318322.db2.gz USYUUKYCASLHCE-ZETCQYMHSA-N 0 0 144.214 1.637 10 0 ADAERN CN[C@@H](COC(C)C)C(F)(F)F 132526941 573313974 /nfs/dbraw/zinc/31/39/74/573313974.db2.gz FDFTYXZLRRTTIG-LURJTMIESA-N 0 0 185.189 1.562 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1ccnn1C 86203853 573313979 /nfs/dbraw/zinc/31/39/79/573313979.db2.gz PSVIDKUQWRTYFS-WPRPVWTQSA-N 0 0 180.251 1.428 10 0 ADAERN CN1C[C@@H]2CCCC[C@H]2NC1=O 238347011 573314019 /nfs/dbraw/zinc/31/40/19/573314019.db2.gz CRQUFLNJWJQCAB-JGVFFNPUSA-N 0 0 168.240 1.200 10 0 ADAERN CC[C@H](C)N(CCO)C(=O)[C@H]1C[C@@H]1C 308546113 573314008 /nfs/dbraw/zinc/31/40/08/573314008.db2.gz PRCYPLIKFKTDHN-GUBZILKMSA-N 0 0 199.294 1.262 10 0 ADAERN CCC[C@H]1CC[NH2+][C@H](C(=O)[O-])C1 74310463 573315331 /nfs/dbraw/zinc/31/53/31/573315331.db2.gz ZOGNUIUCLMYNTO-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN CC(=O)OCc1ccc(O)c(N)c1 116965616 573315348 /nfs/dbraw/zinc/31/53/48/573315348.db2.gz GNAPFGQYKRBKRK-UHFFFAOYSA-N 0 0 181.191 1.038 10 0 ADAERN COc1cccc([C@@H](O)C(C)=O)c1 106869035 573315350 /nfs/dbraw/zinc/31/53/50/573315350.db2.gz SNFZKVBHJRNXMQ-JTQLQIEISA-N 0 0 180.203 1.318 10 0 ADAERN CCc1cc(=O)n(C2CC[NH2+]CC2)[n-]1 106844049 573315358 /nfs/dbraw/zinc/31/53/58/573315358.db2.gz USRURKBOJXBSAL-UHFFFAOYSA-N 0 0 195.266 1.076 10 0 ADAERN OCc1ccc(C2CC2)cn1 117017586 573315364 /nfs/dbraw/zinc/31/53/64/573315364.db2.gz CYVYXMLDDIGZHD-UHFFFAOYSA-N 0 0 149.193 1.451 10 0 ADAERN COc1ccc2c(c1)OC[C@H](C)N2 238351888 573315917 /nfs/dbraw/zinc/31/59/17/573315917.db2.gz DAGBEQYLVPXBEC-ZETCQYMHSA-N 0 0 179.219 1.888 10 0 ADAERN CC(=O)Cc1ccc(C=O)cc1 117010340 573315374 /nfs/dbraw/zinc/31/53/74/573315374.db2.gz JIKUPTWHPCPYIJ-UHFFFAOYSA-N 0 0 162.188 1.631 10 0 ADAERN O=Cc1ccc(-c2cccnn2)[nH]1 74309804 573315505 /nfs/dbraw/zinc/31/55/05/573315505.db2.gz BFLCCKKVTSHDQZ-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[N@@H+]1CC[C@H]1C 129355780 573315697 /nfs/dbraw/zinc/31/56/97/573315697.db2.gz AKORRKOLRHQMED-BDAKNGLRSA-N 0 0 185.267 1.580 10 0 ADAERN Cc1c(CO)cc(C(C)C)n1C 259083822 573318762 /nfs/dbraw/zinc/31/87/62/573318762.db2.gz GEPSHUDMULVMFN-UHFFFAOYSA-N 0 0 167.252 1.949 10 0 ADAERN OC/C=C/c1cncn1C1CC1 86209872 573315336 /nfs/dbraw/zinc/31/53/36/573315336.db2.gz NPVGXGNQHUJLRG-OWOJBTEDSA-N 0 0 164.208 1.224 10 0 ADAERN CCc1ccc(C2(CO)COC2)cc1 258625924 573315150 /nfs/dbraw/zinc/31/51/50/573315150.db2.gz QPWLEVDARJBNBC-UHFFFAOYSA-N 0 0 192.258 1.509 10 0 ADAERN C[C@H](CCO)CCCCO 117025179 573315160 /nfs/dbraw/zinc/31/51/60/573315160.db2.gz KCNMSJPBWBWPAF-QMMMGPOBSA-N 0 0 146.230 1.168 10 0 ADAERN Cc1nc(/C=C/CO)cs1 86209665 573317867 /nfs/dbraw/zinc/31/78/67/573317867.db2.gz UIGVSHFWKRHCSH-NSCUHMNNSA-N 0 0 155.222 1.457 10 0 ADAERN CCCOC(=O)c1cc(C)nnc1C 132523558 573315230 /nfs/dbraw/zinc/31/52/30/573315230.db2.gz CJACYWHMFYPGHN-UHFFFAOYSA-N 0 0 194.234 1.660 10 0 ADAERN COC(=O)c1cc(C)cc2n[nH]cc12 238351321 573315250 /nfs/dbraw/zinc/31/52/50/573315250.db2.gz VFUBWIOCXFBFHC-UHFFFAOYSA-N 0 0 190.202 1.658 10 0 ADAERN Cc1ccc(-c2nc(C=O)c[nH]2)o1 74308365 573315281 /nfs/dbraw/zinc/31/52/81/573315281.db2.gz LNKGUXQTOSCZQQ-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CC[C@@H]1CCC(=O)CC1=O 106852700 573315283 /nfs/dbraw/zinc/31/52/83/573315283.db2.gz IDESFDLCRXUSGK-ZCFIWIBFSA-N 0 0 140.182 1.335 10 0 ADAERN COc1c([C@@H](C)O)coc(=O)c1C 238351818 573315330 /nfs/dbraw/zinc/31/53/30/573315330.db2.gz OEVFBTZWWJIAIJ-ZCFIWIBFSA-N 0 0 184.191 1.010 10 0 ADAERN CC(=O)Nc1ccc(/C=C/CO)cc1 86209850 573315379 /nfs/dbraw/zinc/31/53/79/573315379.db2.gz BFHRDEYULGNZRW-NSCUHMNNSA-N 0 0 191.230 1.651 10 0 ADAERN C/C(=C\C=C\C(=O)[O-])[C@@H]1CC[N@@H+](C)C1 259083808 573315391 /nfs/dbraw/zinc/31/53/91/573315391.db2.gz GENWYMWNUPZJOG-FKZQPAEMSA-N 0 0 195.262 1.525 10 0 ADAERN COC(=O)c1cc(C)c(OC)cc1O 238350506 573315423 /nfs/dbraw/zinc/31/54/23/573315423.db2.gz GIVPUNKPHIBGQY-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN O=Cc1nccn1Cc1ccco1 74308352 573316927 /nfs/dbraw/zinc/31/69/27/573316927.db2.gz SWVOUBRYPLPVQK-UHFFFAOYSA-N 0 0 176.175 1.337 10 0 ADAERN COc1cccc2c(C=O)[nH]nc12 74308326 573315435 /nfs/dbraw/zinc/31/54/35/573315435.db2.gz VLFGPCFGXQRFBQ-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN O=c1[nH][nH]cc1C1CCCC1 258627533 573315437 /nfs/dbraw/zinc/31/54/37/573315437.db2.gz BVIARBNKQHFCIE-UHFFFAOYSA-N 0 0 152.197 1.773 10 0 ADAERN CCn1ccc(/C=C(/C)CO)c1 86210214 573315488 /nfs/dbraw/zinc/31/54/88/573315488.db2.gz FBWWIHJPGHDKCD-TWGQIWQCSA-N 0 0 165.236 1.904 10 0 ADAERN C[N@@H+]1CCC[C@H]([C@@H](F)CC(=O)[O-])C1 238351431 573315490 /nfs/dbraw/zinc/31/54/90/573315490.db2.gz OUNRACOMRVAKET-YUMQZZPRSA-N 0 0 189.230 1.141 10 0 ADAERN Nc1cc(-c2ccncc2)ns1 74307140 573315514 /nfs/dbraw/zinc/31/55/14/573315514.db2.gz JOMLTZHMVJFVKS-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN O[C@H]1CCO[C@]2(CCSC2)C1 74309058 573315532 /nfs/dbraw/zinc/31/55/32/573315532.db2.gz GNJFTZJBQUTMCK-JGVFFNPUSA-N 0 0 174.265 1.033 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+]C[C@@H](C)C1CC1 132517348 573315552 /nfs/dbraw/zinc/31/55/52/573315552.db2.gz FWASCDGJYQBQAH-BDAKNGLRSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)n1nnc(C2CC2)c1N 258627777 573318816 /nfs/dbraw/zinc/31/88/16/573318816.db2.gz XLWFATYJJPBSJD-UHFFFAOYSA-N 0 0 166.228 1.319 10 0 ADAERN Cn1ccc(/C=C/CO)c1 86209715 573315571 /nfs/dbraw/zinc/31/55/71/573315571.db2.gz ZKMGWCDOLAYDJP-NSCUHMNNSA-N 0 0 137.182 1.031 10 0 ADAERN [NH3+][C@H](c1ccsc1)[P@@H](=O)[O-] 117034900 573315586 /nfs/dbraw/zinc/31/55/86/573315586.db2.gz RBCUHRKIPOFHRV-YFKPBYRVSA-N 0 0 177.165 1.172 10 0 ADAERN O[C@@H]1COC[C@@H]1CCc1ccccc1 687958773 573315589 /nfs/dbraw/zinc/31/55/89/573315589.db2.gz GZKDOBPKXIMMPL-NWDGAFQWSA-N 0 0 192.258 1.627 10 0 ADAERN FC(F)(F)CNCc1ccnnc1 132456034 573315619 /nfs/dbraw/zinc/31/56/19/573315619.db2.gz OAORLFROCJTOND-UHFFFAOYSA-N 0 0 191.156 1.129 10 0 ADAERN Cc1coc(N[C@H](CO)CC(C)C)n1 308552008 573315644 /nfs/dbraw/zinc/31/56/44/573315644.db2.gz XXDXCOCWWDIZFK-VIFPVBQESA-N 0 0 198.266 1.802 10 0 ADAERN CCC(=O)[C@H](C)n1cccn1 82947896 573315650 /nfs/dbraw/zinc/31/56/50/573315650.db2.gz BDOXNAWPAWMODX-ZETCQYMHSA-N 0 0 152.197 1.423 10 0 ADAERN CCc1cc(CC)n(CC(N)=S)n1 132496289 573315653 /nfs/dbraw/zinc/31/56/53/573315653.db2.gz AUROEBHOSAPAQR-UHFFFAOYSA-N 0 0 197.307 1.294 10 0 ADAERN O[C@@H]1CCO[C@]2(CCSC2)C1 74309056 573315673 /nfs/dbraw/zinc/31/56/73/573315673.db2.gz GNJFTZJBQUTMCK-HTQZYQBOSA-N 0 0 174.265 1.033 10 0 ADAERN CN(C)c1ccc(/C=C/CO)s1 86209797 573315689 /nfs/dbraw/zinc/31/56/89/573315689.db2.gz XVGRZYJRUVVXCN-ONEGZZNKSA-N 0 0 183.276 1.820 10 0 ADAERN COc1c(N)ncc(C(F)F)c1C 238352497 573315692 /nfs/dbraw/zinc/31/56/92/573315692.db2.gz FFBUQTDCYGCFPB-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CCn1cccc1/C=C(/C)CO 86210028 573316945 /nfs/dbraw/zinc/31/69/45/573316945.db2.gz NFAODAKENDZOHY-CLFYSBASSA-N 0 0 165.236 1.904 10 0 ADAERN CCC(=O)[C@@H](C)n1ccnc1C 82947884 573315709 /nfs/dbraw/zinc/31/57/09/573315709.db2.gz MKNGEZVDUHQMFN-SSDOTTSWSA-N 0 0 166.224 1.732 10 0 ADAERN OCC/C=C\C1CCOCC1 258301665 573315738 /nfs/dbraw/zinc/31/57/38/573315738.db2.gz UTWJXVSFZMOYNI-IWQZZHSRSA-N 0 0 156.225 1.352 10 0 ADAERN CON1C(=O)Cc2c(C)cccc21 238351745 573315745 /nfs/dbraw/zinc/31/57/45/573315745.db2.gz YROUMXKNZFHDNE-UHFFFAOYSA-N 0 0 177.203 1.446 10 0 ADAERN O=C1CC2(CCCCC2)[C@H](CCO)N1 215147562 573315749 /nfs/dbraw/zinc/31/57/49/573315749.db2.gz NKFJUMXASJFMCX-VIFPVBQESA-N 0 0 197.278 1.208 10 0 ADAERN Cc1ccccc1-n1cc(N)nn1 74309214 573315752 /nfs/dbraw/zinc/31/57/52/573315752.db2.gz GOIFXLNZKNFPBY-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1n[nH]cc1-c1ocnc1C=O 74307687 573315760 /nfs/dbraw/zinc/31/57/60/573315760.db2.gz GOBNIKFAVXEHKU-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN COc1c(C)[nH]cc(C)c1=O 238351508 573315793 /nfs/dbraw/zinc/31/57/93/573315793.db2.gz SOKYFKOEBGOROA-UHFFFAOYSA-N 0 0 153.181 1.000 10 0 ADAERN Cc1ccc(CC2(CO)COC2)o1 259413614 573315795 /nfs/dbraw/zinc/31/57/95/573315795.db2.gz OPRHYNLNHRQVNE-UHFFFAOYSA-N 0 0 182.219 1.139 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[NH+]1CC=CC1 129355569 573315812 /nfs/dbraw/zinc/31/58/12/573315812.db2.gz NAHFUJHHWCKGHV-VIFPVBQESA-N 0 0 183.251 1.358 10 0 ADAERN Cc1ccc(C)n1-c1cnc(N)o1 74307521 573315818 /nfs/dbraw/zinc/31/58/18/573315818.db2.gz BNDNIHOVUUCBPE-UHFFFAOYSA-N 0 0 177.207 1.664 10 0 ADAERN CNc1nc(Cl)nc([C@@H](C)F)n1 238350669 573315819 /nfs/dbraw/zinc/31/58/19/573315819.db2.gz KYYBNLWJLDYNKN-GSVOUGTGSA-N 0 0 190.609 1.597 10 0 ADAERN C[NH2+][C@H](C[C@@H](C)C(=O)[O-])c1ccc[nH]1 259415460 573315827 /nfs/dbraw/zinc/31/58/27/573315827.db2.gz NGHDZRNJUOTAMI-VXNVDRBHSA-N 0 0 196.250 1.386 10 0 ADAERN CCC[C@H]1N[C@@H](CCC)N(C)C1=O 132516445 573315854 /nfs/dbraw/zinc/31/58/54/573315854.db2.gz XPHNOXHFCSDNAM-RKDXNWHRSA-N 0 0 184.283 1.343 10 0 ADAERN C[C@@H]1CC[C@H](COC(=O)C(F)F)O1 308344060 573316947 /nfs/dbraw/zinc/31/69/47/573316947.db2.gz SYJAHUGLKUKOMS-PHDIDXHHSA-N 0 0 194.177 1.362 10 0 ADAERN CCC(=O)[C@H](C)n1ccc(C)cc1=O 82948198 573315874 /nfs/dbraw/zinc/31/58/74/573315874.db2.gz GLCXFGCVNQQLMY-VIFPVBQESA-N 0 0 193.246 1.697 10 0 ADAERN COC(=O)c1cc(C)cc2ccnn12 238351400 573315894 /nfs/dbraw/zinc/31/58/94/573315894.db2.gz HJAMKRQJJPVQOR-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN O[C@@H]1CCO[C@@]2(CCSC2)C1 74309054 573315900 /nfs/dbraw/zinc/31/59/00/573315900.db2.gz GNJFTZJBQUTMCK-SFYZADRCSA-N 0 0 174.265 1.033 10 0 ADAERN C/C(=C\c1c(C)nn(C)c1C)CO 86210043 573315920 /nfs/dbraw/zinc/31/59/20/573315920.db2.gz ODCXSGSABMEOAR-FNORWQNLSA-N 0 0 180.251 1.433 10 0 ADAERN C[C@@]1(CO)Cc2cccc(O)c2N1 258303104 573315921 /nfs/dbraw/zinc/31/59/21/573315921.db2.gz VGNACZATNMVYOU-JTQLQIEISA-N 0 0 179.219 1.111 10 0 ADAERN CC(C)[C@@H](CC(=O)[O-])[NH+]1CC=CC1 129355368 573315926 /nfs/dbraw/zinc/31/59/26/573315926.db2.gz NAHFUJHHWCKGHV-SECBINFHSA-N 0 0 183.251 1.358 10 0 ADAERN CNC(=O)Nc1cc(C(C)C)no1 238350848 573315932 /nfs/dbraw/zinc/31/59/32/573315932.db2.gz MFQARMXALVKVQA-UHFFFAOYSA-N 0 0 183.211 1.549 10 0 ADAERN CCC(=O)[C@H](C)N1CCOCC1(C)C 82946994 573315955 /nfs/dbraw/zinc/31/59/55/573315955.db2.gz HBRRDBNJBHBNDY-VIFPVBQESA-N 0 0 199.294 1.465 10 0 ADAERN COC(OC)[C@H]1CC(=O)C[C@@H]1C 238351806 573315957 /nfs/dbraw/zinc/31/59/57/573315957.db2.gz BCHHFVNDKFXCOQ-XPUUQOCRSA-N 0 0 172.224 1.221 10 0 ADAERN Cc1nn(C)c(C)c1/C=C/CO 86209692 573315960 /nfs/dbraw/zinc/31/59/60/573315960.db2.gz FTCLEHCAEIXOJG-SNAWJCMRSA-N 0 0 166.224 1.042 10 0 ADAERN Cc1c2c(c[nH]c1=O)CCC2 219874831 573315992 /nfs/dbraw/zinc/31/59/92/573315992.db2.gz PLAPCLMVEOLRQT-UHFFFAOYSA-N 0 0 149.193 1.172 10 0 ADAERN Nc1ccc(-n2cccn2)cc1N 74309220 573315985 /nfs/dbraw/zinc/31/59/85/573315985.db2.gz JYLXMMANOXEFMW-UHFFFAOYSA-N 0 0 174.207 1.037 10 0 ADAERN COC(=O)c1cc(C)nn1CC(C)C 259414757 573315989 /nfs/dbraw/zinc/31/59/89/573315989.db2.gz RZQZLEGBTTZTRS-UHFFFAOYSA-N 0 0 196.250 1.634 10 0 ADAERN C/C(=C\[C@H]1CCCOC1)CO 86210126 573316021 /nfs/dbraw/zinc/31/60/21/573316021.db2.gz JPJWUEUBVWNNMD-WHXYTISESA-N 0 0 156.225 1.352 10 0 ADAERN C/C(=C\c1ccc(O)cc1)CO 86210174 573316034 /nfs/dbraw/zinc/31/60/34/573316034.db2.gz HMHFBHCGBVCOME-SOFGYWHQSA-N 0 0 164.204 1.788 10 0 ADAERN CCC(=O)[C@@H](C)n1cccn1 82947894 573316057 /nfs/dbraw/zinc/31/60/57/573316057.db2.gz BDOXNAWPAWMODX-SSDOTTSWSA-N 0 0 152.197 1.423 10 0 ADAERN Cc1cc(/C=C/CO)c(C)n1C 86209675 573316062 /nfs/dbraw/zinc/31/60/62/573316062.db2.gz PAXLWWMAIARPMP-SNAWJCMRSA-N 0 0 165.236 1.647 10 0 ADAERN Cc1cc(-n2cccn2)ncc1N 74309219 573316068 /nfs/dbraw/zinc/31/60/68/573316068.db2.gz ZXYUIRWHSIHDFT-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN COc1nc(=S)[nH]cc1C 238352089 573316069 /nfs/dbraw/zinc/31/60/69/573316069.db2.gz IMPPOJUFUAJQON-UHFFFAOYSA-N 0 0 156.210 1.456 10 0 ADAERN Cc1nc2sccn2c1/C=C/CO 86209733 573316074 /nfs/dbraw/zinc/31/60/74/573316074.db2.gz AVQUIRCTWFOSIA-NSCUHMNNSA-N 0 0 194.259 1.710 10 0 ADAERN C[C@H](C[NH3+])C[C@@H](C)CC(=O)[O-] 238463147 573316078 /nfs/dbraw/zinc/31/60/78/573316078.db2.gz COXJDUUJITVXKV-RQJHMYQMSA-N 0 0 159.229 1.082 10 0 ADAERN CN1C[C@H](c2cccc(F)c2)OC1=O 238352157 573316082 /nfs/dbraw/zinc/31/60/82/573316082.db2.gz QYDSDKMLLMQHGG-SECBINFHSA-N 0 0 195.193 1.949 10 0 ADAERN COc1ccc(F)c2ncc(N)n12 238351048 573316954 /nfs/dbraw/zinc/31/69/54/573316954.db2.gz MYSQDGCISDMUDL-UHFFFAOYSA-N 0 0 181.170 1.064 10 0 ADAERN CNC(=O)Nc1ccccc1C=O 238351709 573316103 /nfs/dbraw/zinc/31/61/03/573316103.db2.gz XDUVAZKGQCMYJA-UHFFFAOYSA-N 0 0 178.191 1.250 10 0 ADAERN O=C1CCCN[C@@H]1c1cccc(F)c1 258302816 573316117 /nfs/dbraw/zinc/31/61/17/573316117.db2.gz DQSIHFKCYDTJKD-LLVKDONJSA-N 0 0 193.221 1.819 10 0 ADAERN CCC(CC)C[C@@H](O)C(=O)OC 129379348 573316120 /nfs/dbraw/zinc/31/61/20/573316120.db2.gz MPXIITRFISEGLD-MRVPVSSYSA-N 0 0 174.240 1.347 10 0 ADAERN CON(Cl)C(=O)OC(C)(C)C 238351339 573316127 /nfs/dbraw/zinc/31/61/27/573316127.db2.gz CSHZHCWLWZBJOR-UHFFFAOYSA-N 0 0 181.619 1.939 10 0 ADAERN CCC(=O)[C@@H](C)n1ccc(=O)cc1 82948173 573316141 /nfs/dbraw/zinc/31/61/41/573316141.db2.gz PLTTXCSRISQTJG-MRVPVSSYSA-N 0 0 179.219 1.388 10 0 ADAERN COC(OC)[C@H]1CC(=O)C[C@H]1C 238351821 573316147 /nfs/dbraw/zinc/31/61/47/573316147.db2.gz BCHHFVNDKFXCOQ-SVRRBLITSA-N 0 0 172.224 1.221 10 0 ADAERN Cc1nn(C)c(C2CCOCC2)c1N 106872284 573316148 /nfs/dbraw/zinc/31/61/48/573316148.db2.gz YCBAMZUSOZFQKK-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN O=C1CCC(=O)N(C2CCCCC2)C1 106872261 573316178 /nfs/dbraw/zinc/31/61/78/573316178.db2.gz BGORUNWLUGYBSO-UHFFFAOYSA-N 0 0 195.262 1.511 10 0 ADAERN COc1cc(/C=C(/C)CO)ccc1O 86210249 573316187 /nfs/dbraw/zinc/31/61/87/573316187.db2.gz MVLIOYLGLGXYAD-YVMONPNESA-N 0 0 194.230 1.796 10 0 ADAERN CCC(=O)[C@@H](C)OC(C)C 82948348 573316191 /nfs/dbraw/zinc/31/61/91/573316191.db2.gz MKUSKSNMXZLKGR-SSDOTTSWSA-N 0 0 144.214 1.779 10 0 ADAERN CCC(=O)[C@@H](C)n1cc(C)cn1 82947900 573316202 /nfs/dbraw/zinc/31/62/02/573316202.db2.gz NDVKCOZTFWTSRI-MRVPVSSYSA-N 0 0 166.224 1.732 10 0 ADAERN CCC(=O)[C@H](C)N1C[C@H](C)CC1=O 82948201 573316212 /nfs/dbraw/zinc/31/62/12/573316212.db2.gz SGVAKYOPGITRCK-SFYZADRCSA-N 0 0 183.251 1.222 10 0 ADAERN COc1cc(F)cc(C)c1O 238351241 573316213 /nfs/dbraw/zinc/31/62/13/573316213.db2.gz HTVNTPGFTHEKFI-UHFFFAOYSA-N 0 0 156.156 1.848 10 0 ADAERN CNc1nc(Cl)nc([C@H](C)F)n1 238350777 573316219 /nfs/dbraw/zinc/31/62/19/573316219.db2.gz KYYBNLWJLDYNKN-VKHMYHEASA-N 0 0 190.609 1.597 10 0 ADAERN OCC[C@@H]1Cc2c(O)cccc2N1 258303131 573316220 /nfs/dbraw/zinc/31/62/20/573316220.db2.gz VHALZSNESBHIHW-SSDOTTSWSA-N 0 0 179.219 1.111 10 0 ADAERN Cc1cccc(-n2ccnc2)c1N 74309623 573316223 /nfs/dbraw/zinc/31/62/23/573316223.db2.gz JVNBJCVASVTNMN-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN Cc1coc(-c2nc(C=O)c[nH]2)n1 74307668 573316250 /nfs/dbraw/zinc/31/62/50/573316250.db2.gz BOGLUPGIVBDDMN-UHFFFAOYSA-N 0 0 177.163 1.186 10 0 ADAERN CC(C)CC[C@@H](C)[NH2+]Cc1nnco1 308550911 573316278 /nfs/dbraw/zinc/31/62/78/573316278.db2.gz XKXRUZPKWYSJIZ-SECBINFHSA-N 0 0 197.282 1.984 10 0 ADAERN CC1(C)CC(=O)CCN1C(=O)C1CC1 106872218 573316965 /nfs/dbraw/zinc/31/69/65/573316965.db2.gz JLRDOHVYNRCSDK-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN COCCNc1ccnc2[nH]ccc12 238351117 573316967 /nfs/dbraw/zinc/31/69/67/573316967.db2.gz JWHQAHBZOTYCIU-UHFFFAOYSA-N 0 0 191.234 1.621 10 0 ADAERN Cc1ccc(N)c(-n2ccnc2)c1 74309628 573316286 /nfs/dbraw/zinc/31/62/86/573316286.db2.gz OEXYMFAEBMYCIM-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN CCC(=O)[C@@H](C)n1ccccc1=O 82947960 573316294 /nfs/dbraw/zinc/31/62/94/573316294.db2.gz AGYVFMCDTBBKFN-MRVPVSSYSA-N 0 0 179.219 1.388 10 0 ADAERN CNC(=O)Nc1onc(C)c1Cl 238352374 573316299 /nfs/dbraw/zinc/31/62/99/573316299.db2.gz VICLLXDWXCSWTM-UHFFFAOYSA-N 0 0 189.602 1.388 10 0 ADAERN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccon1 308551455 573316969 /nfs/dbraw/zinc/31/69/69/573316969.db2.gz XOVQCVSYLXALBR-IWSPIJDZSA-N 0 0 198.266 1.749 10 0 ADAERN COCC[C@@H](O)c1cccnc1OC 308551973 573316320 /nfs/dbraw/zinc/31/63/20/573316320.db2.gz SIZKUSPDBXOFDY-SECBINFHSA-N 0 0 197.234 1.160 10 0 ADAERN COCc1ccc(/C=C/CO)cc1 86209766 573316345 /nfs/dbraw/zinc/31/63/45/573316345.db2.gz VDNOIBPLNJHRJR-NSCUHMNNSA-N 0 0 178.231 1.839 10 0 ADAERN CCC(=O)[C@H](C)n1ccc(C)n1 82948288 573316349 /nfs/dbraw/zinc/31/63/49/573316349.db2.gz IYYYHNNZWBROAZ-QMMMGPOBSA-N 0 0 166.224 1.732 10 0 ADAERN O=Cc1cc(Cl)cc2c1OCCO2 116993576 573316356 /nfs/dbraw/zinc/31/63/56/573316356.db2.gz XLDUGBODKAFVLO-UHFFFAOYSA-N 0 0 198.605 1.924 10 0 ADAERN Cc1ncsc1/C=C/CO 86209789 573316359 /nfs/dbraw/zinc/31/63/59/573316359.db2.gz DWYXHBJTRVBQEY-NSCUHMNNSA-N 0 0 155.222 1.457 10 0 ADAERN CN(C)c1ncc(F)c(NC2CC2)n1 106873195 573316361 /nfs/dbraw/zinc/31/63/61/573316361.db2.gz GNRQGNWYAHOFNN-UHFFFAOYSA-N 0 0 196.229 1.256 10 0 ADAERN C/C(=C\c1cncn1C1CC1)CO 86210265 573316972 /nfs/dbraw/zinc/31/69/72/573316972.db2.gz IXTJYUKUYAKAAS-XBXARRHUSA-N 0 0 178.235 1.614 10 0 ADAERN CCOc1cccc2c1CCC(=O)N2 117034616 573316373 /nfs/dbraw/zinc/31/63/73/573316373.db2.gz TZTZXWWQOGBZSL-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN CCC(=O)[C@H](C)N1C[C@@H](C)CC1=O 82948205 573316390 /nfs/dbraw/zinc/31/63/90/573316390.db2.gz SGVAKYOPGITRCK-YUMQZZPRSA-N 0 0 183.251 1.222 10 0 ADAERN CCn1cccc1/C=C/CO 86209679 573316391 /nfs/dbraw/zinc/31/63/91/573316391.db2.gz URYPOUCDLSLLJI-GQCTYLIASA-N 0 0 151.209 1.514 10 0 ADAERN COc1ccc2c(c1)S[C@@H](N)N2 238352279 573316427 /nfs/dbraw/zinc/31/64/27/573316427.db2.gz HJQFLSXYCHUAGK-QMMMGPOBSA-N 0 0 182.248 1.455 10 0 ADAERN CC(C)C[C@@H]1CCC(=O)CC1=O 106852710 573316440 /nfs/dbraw/zinc/31/64/40/573316440.db2.gz WOBXHPUNASCJQC-QMMMGPOBSA-N 0 0 168.236 1.971 10 0 ADAERN COCCCOC1CCC1 238350879 573316465 /nfs/dbraw/zinc/31/64/65/573316465.db2.gz OFGSJRGHSNNABP-UHFFFAOYSA-N 0 0 144.214 1.592 10 0 ADAERN COc1cc(C)n2nccc2n1 238351988 573316481 /nfs/dbraw/zinc/31/64/81/573316481.db2.gz KSWALQFYMWMZDG-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN CC(F)(F)c1ccc(CO)cn1 116984200 573316486 /nfs/dbraw/zinc/31/64/86/573316486.db2.gz XJZLRBLBTCCSHG-UHFFFAOYSA-N 0 0 173.162 1.686 10 0 ADAERN Cc1cccc(CO)c1O[C@@H](C)CO 308551621 573316490 /nfs/dbraw/zinc/31/64/90/573316490.db2.gz QITWZZQKKFVJJR-VIFPVBQESA-N 0 0 196.246 1.247 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[N@@H+]1CCC[C@H]1C 129354420 573316502 /nfs/dbraw/zinc/31/65/02/573316502.db2.gz MYHHNXLFTVATAY-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN COc1ccc(C(C)=O)c(NC=O)c1 238352028 573316513 /nfs/dbraw/zinc/31/65/13/573316513.db2.gz SETRAECJLMTDTQ-UHFFFAOYSA-N 0 0 193.202 1.466 10 0 ADAERN Cc1c(N)c(C2CCOCC2)nn1C 106872285 573316562 /nfs/dbraw/zinc/31/65/62/573316562.db2.gz BKEYXOMROQDBMX-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN Cc1cc(-n2ccnc2)ncc1N 74309200 573316606 /nfs/dbraw/zinc/31/66/06/573316606.db2.gz XEXHXUIVEZPWNX-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCC(=O)[C@@H](C)SCCO 82948594 573316608 /nfs/dbraw/zinc/31/66/08/573316608.db2.gz ZIGBIAWLBTTWAE-ZCFIWIBFSA-N 0 0 162.254 1.080 10 0 ADAERN CC(C)[C@H](CC(=O)[O-])[N@@H+]1CC[C@@H]1C 129356010 573316653 /nfs/dbraw/zinc/31/66/53/573316653.db2.gz AKORRKOLRHQMED-IUCAKERBSA-N 0 0 185.267 1.580 10 0 ADAERN Cc1ccn(-c2oc(N)cc2C)n1 74307523 573316661 /nfs/dbraw/zinc/31/66/61/573316661.db2.gz PCKVRSDQAINALU-UHFFFAOYSA-N 0 0 177.207 1.664 10 0 ADAERN CCCc1nc2n(n1)[C@@H](CO)CCC2 258302803 573316668 /nfs/dbraw/zinc/31/66/68/573316668.db2.gz JLLBXIRENVMYLY-MRVPVSSYSA-N 0 0 195.266 1.100 10 0 ADAERN CC[C@@]1(C)NCN(CCC2CC2)C1=O 129355608 573316701 /nfs/dbraw/zinc/31/67/01/573316701.db2.gz AIUZGKQGBKREBO-LLVKDONJSA-N 0 0 196.294 1.345 10 0 ADAERN CCSCc1c[nH]c(C)n1 258303224 573316702 /nfs/dbraw/zinc/31/67/02/573316702.db2.gz VIFZUTLWNLZURI-UHFFFAOYSA-N 0 0 156.254 1.971 10 0 ADAERN CO[C@H](C)[C@H](C)N[C@H](C)c1ccon1 308551453 573316745 /nfs/dbraw/zinc/31/67/45/573316745.db2.gz XOVQCVSYLXALBR-DJLDLDEBSA-N 0 0 198.266 1.749 10 0 ADAERN OCC=Cc1c[nH]c2ncccc12 86209868 573316748 /nfs/dbraw/zinc/31/67/48/573316748.db2.gz 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/nfs/dbraw/zinc/31/68/36/573316836.db2.gz UDHIIXCGDGLDML-ZCFIWIBFSA-N 0 0 185.248 1.450 10 0 ADAERN CC[C@H]1CCC(=O)CC1=O 106852702 573316862 /nfs/dbraw/zinc/31/68/62/573316862.db2.gz IDESFDLCRXUSGK-LURJTMIESA-N 0 0 140.182 1.335 10 0 ADAERN CCC(=O)[C@@H](C)N1CCOC[C@@H]1C 82946851 573316887 /nfs/dbraw/zinc/31/68/87/573316887.db2.gz NHLBYHJQHODGPM-DTWKUNHWSA-N 0 0 185.267 1.075 10 0 ADAERN CCC[C@@H]1CC[NH2+][C@@H](C(=O)[O-])C1 74310464 573316893 /nfs/dbraw/zinc/31/68/93/573316893.db2.gz ZOGNUIUCLMYNTO-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN CO[C@H]1C[C@@H](NOC(C)C)C12CCC2 308346785 573320924 /nfs/dbraw/zinc/32/09/24/573320924.db2.gz QCCUIQOZWOJDPP-ZJUUUORDSA-N 0 0 199.294 1.874 10 0 ADAERN Oc1ccc(-c2ncccn2)nc1 715770973 573316984 /nfs/dbraw/zinc/31/69/84/573316984.db2.gz QYHSAKSHFCEOTA-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN CC[C@H](C)[NH2+][C@H](CC(=O)[O-])C(C)C 129349814 573317021 /nfs/dbraw/zinc/31/70/21/573317021.db2.gz DZHFWALNIVUEJW-DTWKUNHWSA-N 0 0 187.283 1.874 10 0 ADAERN 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/nfs/dbraw/zinc/31/93/79/573319379.db2.gz KBXZWAODRGRGKP-ONEGZZNKSA-N 0 0 174.203 1.340 10 0 ADAERN CNc1nc(N)nc2c1SC[C@H]2C 238352098 573319399 /nfs/dbraw/zinc/31/93/99/573319399.db2.gz KFGNBWUDTVHDHO-SCSAIBSYSA-N 0 0 196.279 1.310 10 0 ADAERN CC1(C)NC(=O)c2ccc(F)cc2O1 117070906 573319401 /nfs/dbraw/zinc/31/94/01/573319401.db2.gz AXTHICADRUBDHX-UHFFFAOYSA-N 0 0 195.193 1.684 10 0 ADAERN CCC(=O)[C@H](C)n1c(C)cccc1=O 82948107 573319415 /nfs/dbraw/zinc/31/94/15/573319415.db2.gz UCJPDZFRGPWGKU-VIFPVBQESA-N 0 0 193.246 1.697 10 0 ADAERN CCC[C@H]1NCC(=O)N1CCC1CC1 129346875 573319430 /nfs/dbraw/zinc/31/94/30/573319430.db2.gz ZPVDFSGASZQIIK-JTQLQIEISA-N 0 0 196.294 1.345 10 0 ADAERN CN1CCC[C@H]1C(=O)C(F)(F)F 238351618 573319441 /nfs/dbraw/zinc/31/94/41/573319441.db2.gz CVARPFJNEKPBGO-YFKPBYRVSA-N 0 0 181.157 1.212 10 0 ADAERN CCCn1cncc1/C=C/CO 86209682 573319451 /nfs/dbraw/zinc/31/94/51/573319451.db2.gz KUXNCOLRJRUUMO-ONEGZZNKSA-N 0 0 166.224 1.299 10 0 ADAERN Cc1nc2ncc(N)cc2o1 74327645 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238341217 573320622 /nfs/dbraw/zinc/32/06/22/573320622.db2.gz VOZACLLNFLYTMC-UHFFFAOYSA-N 0 0 176.219 1.505 10 0 ADAERN COC(=O)C1=Cc2cccc(F)c2C1 259606562 573322409 /nfs/dbraw/zinc/32/24/09/573322409.db2.gz DHHWTRNKSXYOOL-UHFFFAOYSA-N 0 0 192.189 1.938 10 0 ADAERN COC(=O)[C@@H]1c2ccccc2O[C@@H]1C 238352987 573320636 /nfs/dbraw/zinc/32/06/36/573320636.db2.gz DDVKLEJXBFOPBG-XCBNKYQSSA-N 0 0 192.214 1.724 10 0 ADAERN CC(C)CNC(=O)[C@@H]1CCCC(=O)C1 106874603 573320640 /nfs/dbraw/zinc/32/06/40/573320640.db2.gz UZVBZTLWJCBFBR-SECBINFHSA-N 0 0 197.278 1.518 10 0 ADAERN CCC(=O)[C@H](C)N1CCSCC1 82947283 573320645 /nfs/dbraw/zinc/32/06/45/573320645.db2.gz AGMFMQSTVMPOAB-QMMMGPOBSA-N 0 0 187.308 1.403 10 0 ADAERN COc1c[nH]c(=O)c(N)c1C(F)F 238341492 573320650 /nfs/dbraw/zinc/32/06/50/573320650.db2.gz MCLHXRLGXVSSNI-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN NC(=O)C(F)(F)C1CCCCC1 117115065 573320656 /nfs/dbraw/zinc/32/06/56/573320656.db2.gz SQXWJIOQSYBSCK-UHFFFAOYSA-N 0 0 177.194 1.687 10 0 ADAERN CCc1cc(OC)nc2ccnn12 238341822 573320699 /nfs/dbraw/zinc/32/06/99/573320699.db2.gz FYIYJSSFBDXZSH-UHFFFAOYSA-N 0 0 177.207 1.300 10 0 ADAERN CCC[C@@](C)(OC)C(C)=O 117107763 573320703 /nfs/dbraw/zinc/32/07/03/573320703.db2.gz RKTITZUSDSHDPL-MRVPVSSYSA-N 0 0 144.214 1.781 10 0 ADAERN COC[C@@]12CC[C@@H](C1)C2=O 238341805 573320708 /nfs/dbraw/zinc/32/07/08/573320708.db2.gz SKBWDYCSJWYQAR-POYBYMJQSA-N 0 0 140.182 1.002 10 0 ADAERN CNc1ccccc1C1=N[C@H](C)CO1 238341333 573320714 /nfs/dbraw/zinc/32/07/14/573320714.db2.gz INXXLFOEPWKYBR-MRVPVSSYSA-N 0 0 190.246 1.894 10 0 ADAERN CC(C)C(C)(C)N1C(=O)CNC[C@H]1C 106875828 573320719 /nfs/dbraw/zinc/32/07/19/573320719.db2.gz QKJULTVNVAKHHH-SECBINFHSA-N 0 0 198.310 1.241 10 0 ADAERN CCC(=O)[C@H](C)n1c(C)csc1=O 82948075 573320736 /nfs/dbraw/zinc/32/07/36/573320736.db2.gz DBHAZPIEAQKRGT-ZETCQYMHSA-N 0 0 199.275 1.758 10 0 ADAERN COC(OC)[C@@H](O)CC1(C)CCC1 308346628 573320748 /nfs/dbraw/zinc/32/07/48/573320748.db2.gz VSIOHIYQLZQWRI-QMMMGPOBSA-N 0 0 188.267 1.547 10 0 ADAERN CCCn1nc(CC)c(CO)c1CC 132595081 573320753 /nfs/dbraw/zinc/32/07/53/573320753.db2.gz DMSXWOJNCIXKFK-UHFFFAOYSA-N 0 0 196.294 1.910 10 0 ADAERN O=C1CNCN1c1cccc(Cl)c1 106873920 573320778 /nfs/dbraw/zinc/32/07/78/573320778.db2.gz HVUOICBMRMUEQW-UHFFFAOYSA-N 0 0 196.637 1.234 10 0 ADAERN CNC(=O)N(O)c1ccc(C)cc1 238341110 573320790 /nfs/dbraw/zinc/32/07/90/573320790.db2.gz UBHUTVKPAVAUBH-UHFFFAOYSA-N 0 0 180.207 1.530 10 0 ADAERN CCC[C@@H]1N[C@@H]([C@@H](C)CC)C(=O)N1C 132538603 573320799 /nfs/dbraw/zinc/32/07/99/573320799.db2.gz FDFQDLRDLUICAB-AEJSXWLSSA-N 0 0 198.310 1.589 10 0 ADAERN CNC(=O)c1ccc(OC)c(C)c1C 238341941 573320801 /nfs/dbraw/zinc/32/08/01/573320801.db2.gz DIKFEOSFXMGSMA-UHFFFAOYSA-N 0 0 193.246 1.672 10 0 ADAERN CC(C)CNC(=O)[C@H]1CCCC(=O)C1 106874604 573320815 /nfs/dbraw/zinc/32/08/15/573320815.db2.gz UZVBZTLWJCBFBR-VIFPVBQESA-N 0 0 197.278 1.518 10 0 ADAERN CCCC[C@H]1N[C@H](CC)N(C)C1=O 132533932 573320818 /nfs/dbraw/zinc/32/08/18/573320818.db2.gz XSIOFVMHNLTBET-BDAKNGLRSA-N 0 0 184.283 1.343 10 0 ADAERN CCOC(=O)/C=C(/C)NC(=O)C(C)C 308346694 573320826 /nfs/dbraw/zinc/32/08/26/573320826.db2.gz PRONBWSSLDSDLL-VURMDHGXSA-N 0 0 199.250 1.226 10 0 ADAERN CC(C)(C)[C@H]1CC[NH2+][C@H]1C(=O)[O-] 86229326 573320827 /nfs/dbraw/zinc/32/08/27/573320827.db2.gz BORWRDJMCFDQPY-NKWVEPMBSA-N 0 0 171.240 1.095 10 0 ADAERN COC(OC)[C@@H]1C(=O)CC[C@H]1C 238352594 573320829 /nfs/dbraw/zinc/32/08/29/573320829.db2.gz UBRDMAPEQMROKY-SVRRBLITSA-N 0 0 172.224 1.221 10 0 ADAERN C[C@H](O)/C=C/C(C)(C)C 117103676 573320830 /nfs/dbraw/zinc/32/08/30/573320830.db2.gz ZOQNSGFAAIUNOP-XPPMVYLVSA-N 0 0 128.215 1.970 10 0 ADAERN COC(=O)c1cc(C)cn2ccnc12 238352562 573320844 /nfs/dbraw/zinc/32/08/44/573320844.db2.gz ZLHGKVWFIUHDPO-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN O=C1Cc2c(F)c(F)cc(F)c2N1 86233155 573320851 /nfs/dbraw/zinc/32/08/51/573320851.db2.gz HLEZZMRCYOHGKD-UHFFFAOYSA-N 0 0 187.120 1.599 10 0 ADAERN O=C([O-])C/C=C\C[C@H]1CC[NH2+]C1 258004826 573323593 /nfs/dbraw/zinc/32/35/93/573323593.db2.gz APHNTTQIUPUOJL-JQSQLHRZSA-N 0 0 169.224 1.017 10 0 ADAERN CC[C@H](C)[C@](C)(O)C(C)=O 117102361 573320867 /nfs/dbraw/zinc/32/08/67/573320867.db2.gz PQQHPSBDYNGOLU-XPUUQOCRSA-N 0 0 144.214 1.373 10 0 ADAERN Cc1ccn(CCC(C)(C)O)n1 86234554 573320886 /nfs/dbraw/zinc/32/08/86/573320886.db2.gz OAWFCBGFMRLWBU-UHFFFAOYSA-N 0 0 168.240 1.353 10 0 ADAERN CCOc1cncc(C2(O)CCC2)c1 124081929 573320887 /nfs/dbraw/zinc/32/08/87/573320887.db2.gz CKVAXQVSIYIBMC-UHFFFAOYSA-N 0 0 193.246 1.852 10 0 ADAERN CC[C@H](C)[C@H](O)C(C)(C)O 117112234 573320891 /nfs/dbraw/zinc/32/08/91/573320891.db2.gz SWXNHDZOJZTUJC-BQBZGAKWSA-N 0 0 146.230 1.164 10 0 ADAERN CC[C@@H](C)[C@](C)(O)C(C)=O 117102358 573320906 /nfs/dbraw/zinc/32/09/06/573320906.db2.gz PQQHPSBDYNGOLU-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN CC(=O)CCOC(=O)c1cncs1 308347160 573320931 /nfs/dbraw/zinc/32/09/31/573320931.db2.gz WBCLNXWBKDEBQW-UHFFFAOYSA-N 0 0 199.231 1.279 10 0 ADAERN CCC(C)(C)CC(=O)[C@@H](C)O 231383438 573320934 /nfs/dbraw/zinc/32/09/34/573320934.db2.gz HQOHQCYZMLUYMS-SSDOTTSWSA-N 0 0 158.241 1.763 10 0 ADAERN CCC[C@@H]1N[C@H]([C@@H](C)CC)C(=O)N1C 132538217 573320936 /nfs/dbraw/zinc/32/09/36/573320936.db2.gz FDFQDLRDLUICAB-IVZWLZJFSA-N 0 0 198.310 1.589 10 0 ADAERN CO[C@@](C)(C(C)=O)C(C)C 117097644 573320947 /nfs/dbraw/zinc/32/09/47/573320947.db2.gz ZZTHPYYXZKOJKV-MRVPVSSYSA-N 0 0 144.214 1.637 10 0 ADAERN CCC[NH2+]CC[C@@H](C)C(=O)[O-] 258628242 573321002 /nfs/dbraw/zinc/32/10/02/573321002.db2.gz KHMVAJTYJDMDMN-SSDOTTSWSA-N 0 0 159.229 1.097 10 0 ADAERN CNC(=O)c1ccc(SC)c(O)c1 238342300 573321013 /nfs/dbraw/zinc/32/10/13/573321013.db2.gz KUQOZFSFPSFRBQ-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN CN1CCOc2cc(F)ccc2C1=O 117069038 573321041 /nfs/dbraw/zinc/32/10/41/573321041.db2.gz LCTNBHMNJQZKHN-UHFFFAOYSA-N 0 0 195.193 1.290 10 0 ADAERN COC1=CNC(=O)C(C(F)F)C1=O 238341093 573321053 /nfs/dbraw/zinc/32/10/53/573321053.db2.gz FXXPNFNAFCKBLI-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]C1CC=CC1 132593848 573321054 /nfs/dbraw/zinc/32/10/54/573321054.db2.gz KHXCTINXVVWHQY-MRVPVSSYSA-N 0 0 183.251 1.548 10 0 ADAERN CC(F)(F)C[C@@H]1COCC[C@H]1CO 259606691 573321067 /nfs/dbraw/zinc/32/10/67/573321067.db2.gz DJHZXLCJTPOJEB-JGVFFNPUSA-N 0 0 194.221 1.677 10 0 ADAERN Cn1ccc(C[C@](C)(O)C2(C)CC2)n1 124079870 573321073 /nfs/dbraw/zinc/32/10/73/573321073.db2.gz GLNSFCOUQOHAON-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@H](C)[C@](C)(O)[C@@H](C)O 117106457 573321077 /nfs/dbraw/zinc/32/10/77/573321077.db2.gz LMIUVDKEQJJAGH-RNJXMRFFSA-N 0 0 146.230 1.164 10 0 ADAERN CC[C@H](OC)[C@H](O)c1ccncc1F 132565959 573321083 /nfs/dbraw/zinc/32/10/83/573321083.db2.gz VHMRAWFYXDJXLZ-VHSXEESVSA-N 0 0 199.225 1.679 10 0 ADAERN Cc1cccc(NC(=O)OCCO)c1 86232088 573321100 /nfs/dbraw/zinc/32/11/00/573321100.db2.gz OBAGIUNJFZVZCU-UHFFFAOYSA-N 0 0 195.218 1.536 10 0 ADAERN CCOc1ccc(Cl)c(C(N)=O)c1 117107327 573321114 /nfs/dbraw/zinc/32/11/14/573321114.db2.gz VIMGJJJGPROVEJ-UHFFFAOYSA-N 0 0 199.637 1.838 10 0 ADAERN Cc1cccc2c1CC[C@@H](O)C2 259415067 573321132 /nfs/dbraw/zinc/32/11/32/573321132.db2.gz SKJAKVPEFKXMFS-SNVBAGLBSA-N 0 0 162.232 1.845 10 0 ADAERN CC(C)(C)[C@H](C(=O)[O-])C1CC[NH2+]CC1 259416968 573322423 /nfs/dbraw/zinc/32/24/23/573322423.db2.gz ZRYNFOCELIQAAC-VIFPVBQESA-N 0 0 199.294 1.733 10 0 ADAERN C[C@@H](O)c1coc([C@H]2CCCO2)n1 258003842 573321140 /nfs/dbraw/zinc/32/11/40/573321140.db2.gz IQMFYDGPCCPDJU-HTRCEHHLSA-N 0 0 183.207 1.579 10 0 ADAERN CC(C)Nc1nc(N(C)C)ncc1F 106875324 573321158 /nfs/dbraw/zinc/32/11/58/573321158.db2.gz WTIABGDFSGSZMS-UHFFFAOYSA-N 0 0 198.245 1.502 10 0 ADAERN CC1=N[C@@H]2CC[C@@H](O)C[C@H]2S1 258004257 573321198 /nfs/dbraw/zinc/32/11/98/573321198.db2.gz OZVTXIGHWSPJIH-BWZBUEFSSA-N 0 0 171.265 1.434 10 0 ADAERN CCc1nn(CCF)c(CC)c1C=O 132562956 573321201 /nfs/dbraw/zinc/32/12/01/573321201.db2.gz YJINNBQIIXQXRW-UHFFFAOYSA-N 0 0 198.241 1.790 10 0 ADAERN Cc1nn(CCC(C)(C)O)c(C)c1C 86234486 573321215 /nfs/dbraw/zinc/32/12/15/573321215.db2.gz XVMDHYAIQDOFQW-UHFFFAOYSA-N 0 0 196.294 1.969 10 0 ADAERN CNC(=O)N1CCC[Si]1(C)C 238341849 573321261 /nfs/dbraw/zinc/32/12/61/573321261.db2.gz ZBUDTXVTJAOGRY-UHFFFAOYSA-N 0 0 172.304 1.237 10 0 ADAERN C[N@@H+]1[C@H]2CC[C@@H]1C[C@H](CC(=O)[O-])C2 238342220 573321279 /nfs/dbraw/zinc/32/12/79/573321279.db2.gz CFLMZWGSEVZEHU-AYMMMOKOSA-N 0 0 183.251 1.334 10 0 ADAERN CC[C@H](C)[C@@](C)(O)[C@@H](C)O 117106454 573321286 /nfs/dbraw/zinc/32/12/86/573321286.db2.gz LMIUVDKEQJJAGH-XLPZGREQSA-N 0 0 146.230 1.164 10 0 ADAERN CCC1([C@@H]([NH2+]C)c2cn(C)cn2)CC1 308552647 573321292 /nfs/dbraw/zinc/32/12/92/573321292.db2.gz SPUQHAAUHWUNAS-JTQLQIEISA-N 0 0 193.294 1.871 10 0 ADAERN CO[C@H](C(C)=O)C(C)(C)C 117108381 573321293 /nfs/dbraw/zinc/32/12/93/573321293.db2.gz USYUUKYCASLHCE-SSDOTTSWSA-N 0 0 144.214 1.637 10 0 ADAERN CC(C)C(C)(C)N1C(=O)CNC[C@@H]1C 106875831 573321294 /nfs/dbraw/zinc/32/12/94/573321294.db2.gz QKJULTVNVAKHHH-VIFPVBQESA-N 0 0 198.310 1.241 10 0 ADAERN Cc1c2ccc(N)c(F)c2nn1C 259415832 573321301 /nfs/dbraw/zinc/32/13/01/573321301.db2.gz MPKWXGRJEYLHCQ-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN COC(=O)c1n[nH]c2ccsc12 238342071 573321320 /nfs/dbraw/zinc/32/13/20/573321320.db2.gz KVAWQOWWAPCSME-UHFFFAOYSA-N 0 0 182.204 1.411 10 0 ADAERN COC[C@@]12CCC[C@@](C)(C1)C2=O 238341649 573321335 /nfs/dbraw/zinc/32/13/35/573321335.db2.gz CVNNKSNIQUOUSI-VHSXEESVSA-N 0 0 168.236 1.782 10 0 ADAERN CC(C)CCNc1ncc(F)c(N)n1 106875305 573321347 /nfs/dbraw/zinc/32/13/47/573321347.db2.gz UTGMEYZIXVKXCM-UHFFFAOYSA-N 0 0 198.245 1.656 10 0 ADAERN CCOC(C)(C)[C@H](O)c1cn(C)cn1 308553642 573321359 /nfs/dbraw/zinc/32/13/59/573321359.db2.gz RDYDKPVPHPAZIV-SECBINFHSA-N 0 0 198.266 1.269 10 0 ADAERN O=C1Cc2c(cc(F)c(F)c2F)N1 86233157 573321363 /nfs/dbraw/zinc/32/13/63/573321363.db2.gz YQTBEKMGCIFATG-UHFFFAOYSA-N 0 0 187.120 1.599 10 0 ADAERN CC(F)(F)C[C@H]1COCC[C@@H]1CO 259606694 573321581 /nfs/dbraw/zinc/32/15/81/573321581.db2.gz DJHZXLCJTPOJEB-SFYZADRCSA-N 0 0 194.221 1.677 10 0 ADAERN CNC(=O)N(O)c1ccccc1C 238341161 573321399 /nfs/dbraw/zinc/32/13/99/573321399.db2.gz QYNPVNAXZRYNFQ-UHFFFAOYSA-N 0 0 180.207 1.530 10 0 ADAERN COC(=O)[C@@H]1CNc2cc(O)ccc21 238341891 573321414 /nfs/dbraw/zinc/32/14/14/573321414.db2.gz BKGHKBSHDHOUEK-MRVPVSSYSA-N 0 0 193.202 1.074 10 0 ADAERN O=Cc1ccc(C(=O)C(F)(F)F)[nH]1 117115629 573321425 /nfs/dbraw/zinc/32/14/25/573321425.db2.gz VEINCQZYLSGBFE-UHFFFAOYSA-N 0 0 191.108 1.572 10 0 ADAERN Cc1cc(O)cc(-c2cc(N)n[nH]2)c1 258003918 573321436 /nfs/dbraw/zinc/32/14/36/573321436.db2.gz GURRAMKGGXFMDP-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN COC(=N)C[C@@H](O)C(C)(C)C 238341610 573321466 /nfs/dbraw/zinc/32/14/66/573321466.db2.gz BTWHOZNHYNMSAC-ZCFIWIBFSA-N 0 0 159.229 1.407 10 0 ADAERN CC(=O)c1cc([C@H]2CCCOC2)on1 259416027 573321493 /nfs/dbraw/zinc/32/14/93/573321493.db2.gz YBYPRNVWQQWAPN-QMMMGPOBSA-N 0 0 195.218 1.771 10 0 ADAERN CCC(CC)[C@H](O)C(C)(C)O 117094494 573321521 /nfs/dbraw/zinc/32/15/21/573321521.db2.gz HEERYSMZEGAZLL-QMMMGPOBSA-N 0 0 160.257 1.554 10 0 ADAERN CCN[C@@H](C)c1nnc(C2(C)CC2)o1 308553126 573321529 /nfs/dbraw/zinc/32/15/29/573321529.db2.gz TTYKJEQZYMNOAD-ZETCQYMHSA-N 0 0 195.266 1.792 10 0 ADAERN CCCC[C@H](OC)C(C)=O 117103801 573322440 /nfs/dbraw/zinc/32/24/40/573322440.db2.gz OBUTYKNVOYWARY-QMMMGPOBSA-N 0 0 144.214 1.781 10 0 ADAERN CCCC[C@@H](OC)C(C)=O 117103798 573321543 /nfs/dbraw/zinc/32/15/43/573321543.db2.gz OBUTYKNVOYWARY-MRVPVSSYSA-N 0 0 144.214 1.781 10 0 ADAERN Cc1nc(NCCCCF)cc(=O)[nH]1 308553215 573321550 /nfs/dbraw/zinc/32/15/50/573321550.db2.gz YJFKLSXLJBPZFW-UHFFFAOYSA-N 0 0 199.229 1.652 10 0 ADAERN C[C@H](N)c1ncc(C(C)(C)C)o1 74333456 573321602 /nfs/dbraw/zinc/32/16/02/573321602.db2.gz PWYMGTNTLQHBAR-LURJTMIESA-N 0 0 168.240 1.992 10 0 ADAERN C[C@]1(C2CC2)COC(=O)C1 258627514 573321616 /nfs/dbraw/zinc/32/16/16/573321616.db2.gz XHHCDLBHMZRBEW-MRVPVSSYSA-N 0 0 140.182 1.350 10 0 ADAERN CCc1c(C=O)c(C)c(C(C)=O)n1O 117115776 573321649 /nfs/dbraw/zinc/32/16/49/573321649.db2.gz RIMMFBZCIHJJCI-UHFFFAOYSA-N 0 0 195.218 1.611 10 0 ADAERN CC(=O)n1ncc2c1CC[C@H](C)N2 224022487 573321659 /nfs/dbraw/zinc/32/16/59/573321659.db2.gz RVEMMEGQTSZUKF-LURJTMIESA-N 0 0 179.223 1.290 10 0 ADAERN COCc1ccc(OC)c(CCO)c1 258003845 573321674 /nfs/dbraw/zinc/32/16/74/573321674.db2.gz GTPDKMPBWDSSDG-UHFFFAOYSA-N 0 0 196.246 1.376 10 0 ADAERN CC(C)(C)[C@@H](C(=O)[O-])C1CC[NH2+]CC1 259416966 573321692 /nfs/dbraw/zinc/32/16/92/573321692.db2.gz ZRYNFOCELIQAAC-SECBINFHSA-N 0 0 199.294 1.733 10 0 ADAERN Nc1cc(=O)[nH]c2c(F)cccc12 259606622 573321695 /nfs/dbraw/zinc/32/16/95/573321695.db2.gz DIJULZZUBNGEHE-UHFFFAOYSA-N 0 0 178.166 1.662 10 0 ADAERN CCc1cc(=O)[nH]c2ccc(N)cc12 117055667 573321698 /nfs/dbraw/zinc/32/16/98/573321698.db2.gz FJQVOMFPUSSAKS-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN COc1cccc(OC)c1/C=C\CO 215160653 573321699 /nfs/dbraw/zinc/32/16/99/573321699.db2.gz BPXCEKOKVSXJQZ-PLNGDYQASA-N 0 0 194.230 1.709 10 0 ADAERN COc1ccc(C(C)=O)nc1C 238352590 573321729 /nfs/dbraw/zinc/32/17/29/573321729.db2.gz OFWOSMVMZMHOID-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN Cc1c2ccc(C=O)c(F)c2nn1C 259606539 573321742 /nfs/dbraw/zinc/32/17/42/573321742.db2.gz ZRWVXDOEBZKSHI-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN COc1cc(CON)cc(C)c1OC 258003798 573321746 /nfs/dbraw/zinc/32/17/46/573321746.db2.gz GSHVUMVNPICXFP-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN CCCC[C@@H]1N[C@H](CC)N(C)C1=O 132534094 573321747 /nfs/dbraw/zinc/32/17/47/573321747.db2.gz XSIOFVMHNLTBET-IUCAKERBSA-N 0 0 184.283 1.343 10 0 ADAERN O=C(Nc1ccccc1F)OCCO 86232062 573321749 /nfs/dbraw/zinc/32/17/49/573321749.db2.gz BXIQAEXFJAKCNQ-UHFFFAOYSA-N 0 0 199.181 1.367 10 0 ADAERN CC[C@H](C)[C@@H]1CC[NH2+][C@@H]1C(=O)[O-] 86229407 573321795 /nfs/dbraw/zinc/32/17/95/573321795.db2.gz QWKIDLMVODFEMB-FXQIFTODSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@@H]1NC(C)(C)C(=O)N1C1CCCC1 106873732 573321796 /nfs/dbraw/zinc/32/17/96/573321796.db2.gz VKBFLVHGAGBLKG-MRVPVSSYSA-N 0 0 196.294 1.485 10 0 ADAERN Cc1nc(CO)oc1C(C)(C)C 258627761 573321806 /nfs/dbraw/zinc/32/18/06/573321806.db2.gz XLSJLYBIOMKTEM-UHFFFAOYSA-N 0 0 169.224 1.773 10 0 ADAERN CNC(=O)N(OC)C1CCCCC1 238341244 573321819 /nfs/dbraw/zinc/32/18/19/573321819.db2.gz IMVGUGCPLHNCHG-UHFFFAOYSA-N 0 0 186.255 1.522 10 0 ADAERN COc1ccc(C=O)c2[nH]nc(C)c12 259415843 573322478 /nfs/dbraw/zinc/32/24/78/573322478.db2.gz MPNVXYIOMNVAOA-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN CC[C@H](CSC)[NH2+]CCC(=O)[O-] 132592820 573321856 /nfs/dbraw/zinc/32/18/56/573321856.db2.gz GPACCTCONXUXAW-SSDOTTSWSA-N 0 0 191.296 1.192 10 0 ADAERN CCOCC(=O)c1ncc(C)cn1 132577685 573321864 /nfs/dbraw/zinc/32/18/64/573321864.db2.gz QXBKNWDEHXLVNP-UHFFFAOYSA-N 0 0 180.207 1.004 10 0 ADAERN CC1(C)CNCC(=O)N1C1CCCC1 106873686 573321874 /nfs/dbraw/zinc/32/18/74/573321874.db2.gz JGTKOWBNDLKEMX-UHFFFAOYSA-N 0 0 196.294 1.139 10 0 ADAERN CCc1oc(CN)nc1C(C)C 74333410 573321878 /nfs/dbraw/zinc/32/18/78/573321878.db2.gz XVEWCRWAZUPAFQ-UHFFFAOYSA-N 0 0 168.240 1.819 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)C(C)=O 117102353 573321891 /nfs/dbraw/zinc/32/18/91/573321891.db2.gz PQQHPSBDYNGOLU-HTRCEHHLSA-N 0 0 144.214 1.373 10 0 ADAERN COc1ccc(F)cc1C(=O)[C@@H](C)O 106875174 573321898 /nfs/dbraw/zinc/32/18/98/573321898.db2.gz CUVGYLSWRCYMLE-ZCFIWIBFSA-N 0 0 198.193 1.398 10 0 ADAERN COc1cncc(C2(O)CCC2)c1 124082209 573321954 /nfs/dbraw/zinc/32/19/54/573321954.db2.gz NSFNIYCHZQJSON-UHFFFAOYSA-N 0 0 179.219 1.462 10 0 ADAERN CNc1ccccc1N(C)C=O 238342026 573321983 /nfs/dbraw/zinc/32/19/83/573321983.db2.gz BHTADWKZRMYLJD-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN C[C@@H](NC#N)C1CCC1 124079263 573321990 /nfs/dbraw/zinc/32/19/90/573321990.db2.gz SMZFQNGJPGNJNY-ZCFIWIBFSA-N 0 0 124.187 1.246 10 0 ADAERN O=Cc1coc(C[C@H]2CCSC2)n1 258003925 573321997 /nfs/dbraw/zinc/32/19/97/573321997.db2.gz IRPNYBWNRTUTMO-SSDOTTSWSA-N 0 0 197.259 1.783 10 0 ADAERN CC[C@H](C)[C@@](C)(O)C(C)=O 117102356 573322044 /nfs/dbraw/zinc/32/20/44/573322044.db2.gz PQQHPSBDYNGOLU-POYBYMJQSA-N 0 0 144.214 1.373 10 0 ADAERN CCC(=O)[C@H](C)[S@@](=O)C(C)C 82954450 573322060 /nfs/dbraw/zinc/32/20/60/573322060.db2.gz OGAATWDGLMEOIY-WRWORJQWSA-N 0 0 176.281 1.511 10 0 ADAERN CCc1nn(C)c2oc(N)cc12 74339288 573322071 /nfs/dbraw/zinc/32/20/71/573322071.db2.gz BIXIRKGVQZVQMT-UHFFFAOYSA-N 0 0 165.196 1.311 10 0 ADAERN CCN(c1cccc(C)c1)C(N)N=N 82955235 573322076 /nfs/dbraw/zinc/32/20/76/573322076.db2.gz MOYHOGHUPBPIDN-UHFFFAOYSA-N 0 0 192.266 1.219 10 0 ADAERN OCCc1ccc(Br)o1 82955018 573322460 /nfs/dbraw/zinc/32/24/60/573322460.db2.gz IDMZWZONQOMKGM-UHFFFAOYSA-N 0 0 191.024 1.577 10 0 ADAERN CNc1ccccc1N(C)N 238342047 573322086 /nfs/dbraw/zinc/32/20/86/573322086.db2.gz CRLWFVZYVWZKBB-UHFFFAOYSA-N 0 0 151.213 1.038 10 0 ADAERN C[C@@H]1CN(C2CCCCC2)C(=O)CN1 106873698 573322110 /nfs/dbraw/zinc/32/21/10/573322110.db2.gz QSNDQJBYVLGKNF-SECBINFHSA-N 0 0 196.294 1.139 10 0 ADAERN CCOC(C)(C)[C@@H](O)c1cn(C)cn1 308553643 573322111 /nfs/dbraw/zinc/32/21/11/573322111.db2.gz RDYDKPVPHPAZIV-VIFPVBQESA-N 0 0 198.266 1.269 10 0 ADAERN CC(C)CCN1C(=O)C(C)(C)N[C@@H]1C 106876164 573322139 /nfs/dbraw/zinc/32/21/39/573322139.db2.gz SPAQZPPEFGZPER-VIFPVBQESA-N 0 0 198.310 1.589 10 0 ADAERN CCOc1cccc([O-])c1C(=[NH2+])NC 117099722 573322160 /nfs/dbraw/zinc/32/21/60/573322160.db2.gz XMZSWKLWCDSUNF-UHFFFAOYSA-N 0 0 194.234 1.336 10 0 ADAERN COc1ccc2c(c1O)C(=O)CCO2 238352792 573322179 /nfs/dbraw/zinc/32/21/79/573322179.db2.gz CSPYIFRYIMVYME-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN CCO[C@@H](C)c1nccc(C(C)=O)n1 308553282 573322190 /nfs/dbraw/zinc/32/21/90/573322190.db2.gz YNEOLDALCCQHRZ-QMMMGPOBSA-N 0 0 194.234 1.777 10 0 ADAERN C/C(Br)=C\[C@H](C)CO 231375621 573322194 /nfs/dbraw/zinc/32/21/94/573322194.db2.gz OEIZOTTZFQWEOZ-HVPJABPFSA-N 0 0 179.057 1.914 10 0 ADAERN Cc1nc(N)nc2c1CCS2 74335775 573322465 /nfs/dbraw/zinc/32/24/65/573322465.db2.gz UEVGYDVPDXEVTO-UHFFFAOYSA-N 0 0 167.237 1.015 10 0 ADAERN COc1ccc(C(C)=O)cc1[C@@H](C)O 238352550 573322228 /nfs/dbraw/zinc/32/22/28/573322228.db2.gz DEDJRIZKFVMIBB-MRVPVSSYSA-N 0 0 194.230 1.951 10 0 ADAERN C[C@H]1C[C@@H]1c1ccc(CCO)o1 82955003 573322385 /nfs/dbraw/zinc/32/23/85/573322385.db2.gz GJIQMIBGTPVOQF-CBAPKCEASA-N 0 0 166.220 1.938 10 0 ADAERN FC1(F)C[C@@H]1CNc1cnccn1 717350260 573322242 /nfs/dbraw/zinc/32/22/42/573322242.db2.gz BIVFSMKIWBYHOS-ZCFIWIBFSA-N 0 0 185.177 1.544 10 0 ADAERN CCN1C[C@@H](c2cc[nH]c2)N(C)C1=O 259416231 573322253 /nfs/dbraw/zinc/32/22/53/573322253.db2.gz LACURNRUIRJMBD-VIFPVBQESA-N 0 0 193.250 1.443 10 0 ADAERN CC1(C)Cc2cccc(CCO)c2O1 82955007 573322266 /nfs/dbraw/zinc/32/22/66/573322266.db2.gz RODOBLRWCLHIBE-UHFFFAOYSA-N 0 0 192.258 1.935 10 0 ADAERN C[C@@H]1C[C@](O)(CCC(F)(F)F)CO1 401863697 573322391 /nfs/dbraw/zinc/32/23/91/573322391.db2.gz DXWFDQKPMAZSDM-RNFRBKRXSA-N 0 0 198.184 1.869 10 0 ADAERN COc1cc(C(F)F)nc(F)c1N 238352816 573322300 /nfs/dbraw/zinc/32/23/00/573322300.db2.gz SVMULLVZITXQMT-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CCC(=O)[C@@H](C)OC1CCC1 82954195 573322303 /nfs/dbraw/zinc/32/23/03/573322303.db2.gz YSHHTLMSRBUZJG-SSDOTTSWSA-N 0 0 156.225 1.923 10 0 ADAERN [NH3+][C@@](C(=O)[O-])(C1CCCCC1)C1CC1 106874577 573322312 /nfs/dbraw/zinc/32/23/12/573322312.db2.gz GVTOHGAJWMGDPB-NSHDSACASA-N 0 0 197.278 1.759 10 0 ADAERN CNc1ccccc1C1OCCO1 238341409 573322327 /nfs/dbraw/zinc/32/23/27/573322327.db2.gz OZNWTDDEFQFCKD-UHFFFAOYSA-N 0 0 179.219 1.774 10 0 ADAERN Cc1nc(N)oc1Cc1ccncc1 258628268 573322331 /nfs/dbraw/zinc/32/23/31/573322331.db2.gz QYHMFQOPTRIAFF-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN Cc1cc(C)cc(N(C)C(N)N=N)c1 82955374 573322350 /nfs/dbraw/zinc/32/23/50/573322350.db2.gz NSQDNGHBOJRNOL-UHFFFAOYSA-N 0 0 192.266 1.138 10 0 ADAERN CCCC(=O)C[C@@H](C)OC 117093546 573322470 /nfs/dbraw/zinc/32/24/70/573322470.db2.gz DTHPGVOLCGMIBQ-SSDOTTSWSA-N 0 0 144.214 1.781 10 0 ADAERN CNc1ccccc1C1=N[C@@H](C)CO1 238341300 573323539 /nfs/dbraw/zinc/32/35/39/573323539.db2.gz INXXLFOEPWKYBR-QMMMGPOBSA-N 0 0 190.246 1.894 10 0 ADAERN CCc1nn(C)c(CC)c1[C@@H](O)CC 132607426 573323540 /nfs/dbraw/zinc/32/35/40/573323540.db2.gz SWYWPGPKCDJRBF-JTQLQIEISA-N 0 0 196.294 1.988 10 0 ADAERN CO[C@H]1CC/C=C/CCC1=O 238342248 573323545 /nfs/dbraw/zinc/32/35/45/573323545.db2.gz LVCQEMYWSQETKI-HPOULIHZSA-N 0 0 154.209 1.701 10 0 ADAERN CC1(C)NCN(C2CCCCC2)C1=O 106873730 573323553 /nfs/dbraw/zinc/32/35/53/573323553.db2.gz ODMPZQNDUURFGZ-UHFFFAOYSA-N 0 0 196.294 1.487 10 0 ADAERN COc1ccc2c(c1C)C(=O)CCO2 238352665 573323532 /nfs/dbraw/zinc/32/35/32/573323532.db2.gz AWLNSMWEALLZFX-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN CC(C)[C@H](C)[C@@H](O)[C@@H](C)O 117102656 573323288 /nfs/dbraw/zinc/32/32/88/573323288.db2.gz YWIGBZMKCIBARJ-XLPZGREQSA-N 0 0 146.230 1.020 10 0 ADAERN CC(C)[C@@H]1C[C@H]2C[C@H]2C(=O)N1 258629589 573323293 /nfs/dbraw/zinc/32/32/93/573323293.db2.gz XPONQXKXWHPPKT-PRJMDXOYSA-N 0 0 153.225 1.167 10 0 ADAERN CC(C)Nc1ncc(F)c(N(C)C)n1 106875333 573323297 /nfs/dbraw/zinc/32/32/97/573323297.db2.gz ZBTCEQKCKZJLJT-UHFFFAOYSA-N 0 0 198.245 1.502 10 0 ADAERN C[C@@H]1CCn2cc(CCO)nc2C1 258628991 573323301 /nfs/dbraw/zinc/32/33/01/573323301.db2.gz WHQIIPUDYUPSOQ-MRVPVSSYSA-N 0 0 180.251 1.000 10 0 ADAERN CC(C)C[N@@H+]1CCC/C(=C\C(=O)[O-])C1 106874656 573323325 /nfs/dbraw/zinc/32/33/25/573323325.db2.gz IOPCGHLESHPMNA-UXBLZVDNSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1nn(C)c2c(F)c(N)ccc12 259415712 573323329 /nfs/dbraw/zinc/32/33/29/573323329.db2.gz MLZXITYAKVJDBO-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN COC(=N)C[C@H](O)C(C)(C)C 238341667 573323332 /nfs/dbraw/zinc/32/33/32/573323332.db2.gz BTWHOZNHYNMSAC-LURJTMIESA-N 0 0 159.229 1.407 10 0 ADAERN CN1COc2cc(F)ccc2C1=O 117067758 573323354 /nfs/dbraw/zinc/32/33/54/573323354.db2.gz HDGWFTVUCOOVNT-UHFFFAOYSA-N 0 0 181.166 1.248 10 0 ADAERN CCC(=O)[C@H](C)OC1CCC1 82954196 573323357 /nfs/dbraw/zinc/32/33/57/573323357.db2.gz YSHHTLMSRBUZJG-ZETCQYMHSA-N 0 0 156.225 1.923 10 0 ADAERN CCO[C@H](C)c1nccc(C(C)=O)n1 308553281 573323367 /nfs/dbraw/zinc/32/33/67/573323367.db2.gz YNEOLDALCCQHRZ-MRVPVSSYSA-N 0 0 194.234 1.777 10 0 ADAERN COc1ccc2c(c1N)C(=O)CCO2 238352768 573323371 /nfs/dbraw/zinc/32/33/71/573323371.db2.gz PAYZHBLBYOIPDM-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN CC[C@@]([NH3+])(C(=O)[O-])c1cccc(F)c1 106874039 573323379 /nfs/dbraw/zinc/32/33/79/573323379.db2.gz BNLBQFIYNHMJPL-JTQLQIEISA-N 0 0 197.209 1.474 10 0 ADAERN CO[C@@H]1OC[C@@H](CC(C)C)O1 238342172 573323583 /nfs/dbraw/zinc/32/35/83/573323583.db2.gz FHSKJRDLWXJSJR-HTQZYQBOSA-N 0 0 160.213 1.378 10 0 ADAERN C[C@H]1CC(=O)N(CCC(C)(C)O)C1 86234525 573323439 /nfs/dbraw/zinc/32/34/39/573323439.db2.gz OLEUSJNQLKFMHS-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1coc2c1CC[C@@H](CO)C2 74337870 573323444 /nfs/dbraw/zinc/32/34/44/573323444.db2.gz TWXVUQQICFEBJT-MRVPVSSYSA-N 0 0 166.220 1.685 10 0 ADAERN COc1ccc(C(C)=O)cc1[C@H](C)O 238352567 573323450 /nfs/dbraw/zinc/32/34/50/573323450.db2.gz DEDJRIZKFVMIBB-QMMMGPOBSA-N 0 0 194.230 1.951 10 0 ADAERN CC(C)CCN1C(=O)C(C)(C)N[C@H]1C 106876162 573323458 /nfs/dbraw/zinc/32/34/58/573323458.db2.gz SPAQZPPEFGZPER-SECBINFHSA-N 0 0 198.310 1.589 10 0 ADAERN CC[C@@]([NH3+])(C(=O)[O-])c1ccccc1F 106874034 573323480 /nfs/dbraw/zinc/32/34/80/573323480.db2.gz VOWIEKPEAOTKPY-JTQLQIEISA-N 0 0 197.209 1.474 10 0 ADAERN CCOC[C@H](C)N[C@H](C)c1ncon1 308548822 573323481 /nfs/dbraw/zinc/32/34/81/573323481.db2.gz WODIWSIBPZBOIL-JGVFFNPUSA-N 0 0 199.254 1.145 10 0 ADAERN COC(=O)c1cc(C)cn2cncc12 238352586 573323496 /nfs/dbraw/zinc/32/34/96/573323496.db2.gz ZSDFGAHOEXBRAJ-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CC[C@H](C)[N@@H+]1CCC/C(=C\C(=O)[O-])C1 106874660 573323500 /nfs/dbraw/zinc/32/35/00/573323500.db2.gz NDUQAYCXKWIKAZ-HZAKCSEPSA-N 0 0 197.278 1.892 10 0 ADAERN COC(=O)C[C@@H]1CC[C@@H](C)C1=O 238343710 573327709 /nfs/dbraw/zinc/32/77/09/573327709.db2.gz FVTOUKPQDSZCAI-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN [NH3+][C@@H]1CCc2ccccc2[C@@H]1C(=O)[O-] 117186907 573327526 /nfs/dbraw/zinc/32/75/26/573327526.db2.gz RZFVSHCAXBGXHO-ZJUUUORDSA-N 0 0 191.230 1.128 10 0 ADAERN COC(=N)c1ncccc1F 238344305 573327654 /nfs/dbraw/zinc/32/76/54/573327654.db2.gz CGYOJLKZZMZIET-UHFFFAOYSA-N 0 0 154.144 1.192 10 0 ADAERN CC(C)c1cnc([C@H](C)N)o1 74342896 573327665 /nfs/dbraw/zinc/32/76/65/573327665.db2.gz QXYLIOIJZRQKIC-LURJTMIESA-N 0 0 154.213 1.818 10 0 ADAERN CC1=C[C@@H]2[C@H](C1)C[C@]2(C[NH3+])CC(=O)[O-] 117197608 573327689 /nfs/dbraw/zinc/32/76/89/573327689.db2.gz HJNICJYALOSZRL-FXPVBKGRSA-N 0 0 195.262 1.392 10 0 ADAERN Cc1ccn2ccnc2c1C 117241113 573327700 /nfs/dbraw/zinc/32/77/00/573327700.db2.gz ICSRJCBRZXLNKZ-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN COC(=O)[C@@H](C)c1csc(N)n1 238342803 573327775 /nfs/dbraw/zinc/32/77/75/573327775.db2.gz VYDKQHXOOMHTCN-BYPYZUCNSA-N 0 0 186.236 1.002 10 0 ADAERN Nc1cc[nH]c1Cc1ccon1 74341148 573327744 /nfs/dbraw/zinc/32/77/44/573327744.db2.gz FOUNIPYKHMVFPA-UHFFFAOYSA-N 0 0 163.180 1.176 10 0 ADAERN C[C@H](O)c1c(F)ccc(F)c1O 258002828 573327799 /nfs/dbraw/zinc/32/77/99/573327799.db2.gz MDGWQHVYNRSXMP-BYPYZUCNSA-N 0 0 174.146 1.724 10 0 ADAERN CC[C@H](O)CCc1ccc(OC)nn1 308549307 573327132 /nfs/dbraw/zinc/32/71/32/573327132.db2.gz PGJFTMHPEONKQI-VIFPVBQESA-N 0 0 196.250 1.189 10 0 ADAERN COC(=N)[C@@H](O)c1cccc(F)c1 238342952 573327143 /nfs/dbraw/zinc/32/71/43/573327143.db2.gz IIDXUFCVLFVPRV-QMMMGPOBSA-N 0 0 183.182 1.483 10 0 ADAERN COC(=O)C[C@@H]1CC[C@H](C)C1=O 238344010 573327170 /nfs/dbraw/zinc/32/71/70/573327170.db2.gz FVTOUKPQDSZCAI-BQBZGAKWSA-N 0 0 170.208 1.165 10 0 ADAERN Cc1ccccc1OC(=O)[C@@H](C)O 117232378 573327153 /nfs/dbraw/zinc/32/71/53/573327153.db2.gz QVJLKNHLMRSYGL-MRVPVSSYSA-N 0 0 180.203 1.281 10 0 ADAERN CC1(C)C(Nc2n[nH]c(N)n2)C1(C)C 86241418 573327154 /nfs/dbraw/zinc/32/71/54/573327154.db2.gz WHHFHCIHSYXMRF-UHFFFAOYSA-N 0 0 195.270 1.233 10 0 ADAERN COc1cccc(C(=O)CN)c1Cl 106877378 573327187 /nfs/dbraw/zinc/32/71/87/573327187.db2.gz SKTVSDJDAKGZMO-UHFFFAOYSA-N 0 0 199.637 1.490 10 0 ADAERN COc1cc(C(F)F)c(CO)cn1 238343064 573327201 /nfs/dbraw/zinc/32/72/01/573327201.db2.gz AKNIFRSKAQFYIT-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN O=c1cccc2[nH]cc(Cl)nc1-2 259606770 573327207 /nfs/dbraw/zinc/32/72/07/573327207.db2.gz DKGMWXBCNBLPAP-UHFFFAOYSA-N 0 0 180.594 1.989 10 0 ADAERN Nc1cnc2ccc(O)cc2c1CO 259606795 573327249 /nfs/dbraw/zinc/32/72/49/573327249.db2.gz DLCATWOMCVNQET-UHFFFAOYSA-N 0 0 190.202 1.015 10 0 ADAERN Cn1ccc(C[C@](C)(O)C(C)(C)C)n1 124091850 573327263 /nfs/dbraw/zinc/32/72/63/573327263.db2.gz GSUPDLOYJDLTLL-NSHDSACASA-N 0 0 196.294 1.760 10 0 ADAERN N[C@@H](c1ccco1)c1cnco1 74340654 573327268 /nfs/dbraw/zinc/32/72/68/573327268.db2.gz MVKADTGPNDPCEB-QMMMGPOBSA-N 0 0 164.164 1.316 10 0 ADAERN CO[C@H]1CCc2cc(N)ccc21 258629612 573327276 /nfs/dbraw/zinc/32/72/76/573327276.db2.gz XRGYNPZRQYCJDP-JTQLQIEISA-N 0 0 163.220 1.903 10 0 ADAERN c1cncc(-c2cn3ccncc3n2)c1 129524171 573327277 /nfs/dbraw/zinc/32/72/77/573327277.db2.gz ZEVFAFSFUUBXGK-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CCc1cc([C@@H](C)O)on1 238344150 573327291 /nfs/dbraw/zinc/32/72/91/573327291.db2.gz WUDWRXQHRVCLSL-RXMQYKEDSA-N 0 0 141.170 1.290 10 0 ADAERN CC1(C)C(C[NH2+]CCC(=O)[O-])C1(C)C 86239931 573327296 /nfs/dbraw/zinc/32/72/96/573327296.db2.gz ZUVFHGDNBUGUJG-UHFFFAOYSA-N 0 0 199.294 1.733 10 0 ADAERN CC1(C)C(N2CCC(=O)C2=O)C1(C)C 86240359 573327305 /nfs/dbraw/zinc/32/73/05/573327305.db2.gz LZNSVAJNHOTJMZ-UHFFFAOYSA-N 0 0 195.262 1.222 10 0 ADAERN Cc1cc(CC(C)C)nc(C(N)=O)n1 259085297 573327312 /nfs/dbraw/zinc/32/73/12/573327312.db2.gz MHJFNUIMNJDBGN-UHFFFAOYSA-N 0 0 193.250 1.082 10 0 ADAERN CC[C@@H](Nn1cccc1)[C@H]1CCOC1 308549291 573327359 /nfs/dbraw/zinc/32/73/59/573327359.db2.gz PFRYTEUTLRRJND-WDEREUQCSA-N 0 0 194.278 1.847 10 0 ADAERN CNC(=O)c1cccc(O)c1Cl 238343186 573327327 /nfs/dbraw/zinc/32/73/27/573327327.db2.gz ZOBYOOOCRVDQEE-UHFFFAOYSA-N 0 0 185.610 1.405 10 0 ADAERN CO[C@@H](C1CCCC1)[NH+](C)C 259085836 573327334 /nfs/dbraw/zinc/32/73/34/573327334.db2.gz FWYCGNQUZRATPM-VIFPVBQESA-N 0 0 157.257 1.711 10 0 ADAERN O=c1o[nH]c2c1CCCCC2 100279007 573327335 /nfs/dbraw/zinc/32/73/35/573327335.db2.gz CLEKKYHKUSVQGV-UHFFFAOYSA-N 0 0 153.181 1.237 10 0 ADAERN C[NH2+][C@@H](CCCC(=O)[O-])C1CCC1 259417726 573327371 /nfs/dbraw/zinc/32/73/71/573327371.db2.gz NIKVWEGNFYTMDX-VIFPVBQESA-N 0 0 185.267 1.629 10 0 ADAERN COC(=N)[C@H](O)c1cccc(C)c1 238343369 573327394 /nfs/dbraw/zinc/32/73/94/573327394.db2.gz DQRVQDPQFKQULI-SECBINFHSA-N 0 0 179.219 1.652 10 0 ADAERN Cc1nc(-c2nccc(N)n2)cs1 117239597 573327396 /nfs/dbraw/zinc/32/73/96/573327396.db2.gz HJEKUVLVPGAXDL-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN COc1ccc(N)c2c1c(C)nn2C 259418275 573327407 /nfs/dbraw/zinc/32/74/07/573327407.db2.gz MRXGHEYZTLLFKS-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN CNOCCOc1ccc(OC)cc1 258003371 573327422 /nfs/dbraw/zinc/32/74/22/573327422.db2.gz QJPJEQSXLOTGEQ-UHFFFAOYSA-N 0 0 197.234 1.225 10 0 ADAERN CCC[C@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 308549316 573327450 /nfs/dbraw/zinc/32/74/50/573327450.db2.gz PGQTVBUPUCYWIJ-LLVKDONJSA-N 0 0 197.278 1.772 10 0 ADAERN CCC[C@@]([NH2+]C1CC1)(C(=O)[O-])C1CC1 308549319 573327457 /nfs/dbraw/zinc/32/74/57/573327457.db2.gz PGQTVBUPUCYWIJ-NSHDSACASA-N 0 0 197.278 1.772 10 0 ADAERN CC[C@H](Nn1cccc1)[C@H]1CCOC1 308549289 573327462 /nfs/dbraw/zinc/32/74/62/573327462.db2.gz PFRYTEUTLRRJND-QWRGUYRKSA-N 0 0 194.278 1.847 10 0 ADAERN CO[C@@H]1O[C@@H](C(C)=O)CC[C@@H]1C 238343876 573327483 /nfs/dbraw/zinc/32/74/83/573327483.db2.gz PGBCTRWDUHADOB-NBEYISGCSA-N 0 0 172.224 1.363 10 0 ADAERN CC(=O)O[C@H](C)CC[C@@H](C)O 166122709 573327486 /nfs/dbraw/zinc/32/74/86/573327486.db2.gz KWZUXBQCEVQMIN-RNFRBKRXSA-N 0 0 160.213 1.099 10 0 ADAERN COC(=O)C1=C(O)C[C@H](C(C)C)C1 238343673 573327491 /nfs/dbraw/zinc/32/74/91/573327491.db2.gz MZLCIDLERPVAGQ-HTQZYQBOSA-N 0 0 184.235 1.411 10 0 ADAERN Cc1noc2scc(N)c12 74342938 573327502 /nfs/dbraw/zinc/32/75/02/573327502.db2.gz XQWXKDPLWQSRHW-UHFFFAOYSA-N 0 0 154.194 1.780 10 0 ADAERN CCOC(=O)[C@@H](F)SC 86242440 573327572 /nfs/dbraw/zinc/32/75/72/573327572.db2.gz KRLSPGMUNGCSTO-BYPYZUCNSA-N 0 0 152.190 1.208 10 0 ADAERN CO[C@H]1CC=C(C)[C@H](O)C1 238343864 573327825 /nfs/dbraw/zinc/32/78/25/573327825.db2.gz YRTMQIRDECMVSH-JGVFFNPUSA-N 0 0 142.198 1.102 10 0 ADAERN CC(C)[C@@H]1C[C@@H]2C[C@@H]2C(=O)N1 258629588 573327827 /nfs/dbraw/zinc/32/78/27/573327827.db2.gz XPONQXKXWHPPKT-FXQIFTODSA-N 0 0 153.225 1.167 10 0 ADAERN Nc1cn(Cc2ccco2)cn1 74341276 573330428 /nfs/dbraw/zinc/33/04/28/573330428.db2.gz LJEUBJOIMHWKAX-UHFFFAOYSA-N 0 0 163.180 1.107 10 0 ADAERN CC(C)Cc1cnc(CN)o1 74342906 573330790 /nfs/dbraw/zinc/33/07/90/573330790.db2.gz YMCONRSTHLRXAV-UHFFFAOYSA-N 0 0 154.213 1.332 10 0 ADAERN CNC(=S)Cc1ccncc1 238359457 573330821 /nfs/dbraw/zinc/33/08/21/573330821.db2.gz SQUKJRIMYSPOBF-UHFFFAOYSA-N 0 0 166.249 1.171 10 0 ADAERN CONCc1c(F)ccc2c1OCO2 258003227 573330828 /nfs/dbraw/zinc/33/08/28/573330828.db2.gz CBMXSZJJMJNOLZ-UHFFFAOYSA-N 0 0 199.181 1.205 10 0 ADAERN Cc1sc(CO)nc1-c1ccc[nH]1 259420378 573330838 /nfs/dbraw/zinc/33/08/38/573330838.db2.gz YUQLJPDYITVCNS-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN C[C@@H]1CCc2ccccc2N1N 74341411 573330845 /nfs/dbraw/zinc/33/08/45/573330845.db2.gz RLBRHMPJAZEEKD-MRVPVSSYSA-N 0 0 162.236 1.701 10 0 ADAERN CCC1(C(=O)[O-])CCC([NH+](C)C)CC1 106876932 573330846 /nfs/dbraw/zinc/33/08/46/573330846.db2.gz ONVCDUBDXRONNV-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H](Nn1cccc1)[C@@H]1CCOC1 308549284 573330851 /nfs/dbraw/zinc/33/08/51/573330851.db2.gz PFRYTEUTLRRJND-GHMZBOCLSA-N 0 0 194.278 1.847 10 0 ADAERN CC(C)N1CCNc2cccc(N)c21 259419374 573330885 /nfs/dbraw/zinc/33/08/85/573330885.db2.gz YHIVFBTWZQMRRP-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN C[NH2+][C@@H](C(C)C)[C@@H](C(=O)[O-])C(C)C 259085720 573330861 /nfs/dbraw/zinc/33/08/61/573330861.db2.gz CZLGUEKRRUAVCA-IUCAKERBSA-N 0 0 187.283 1.587 10 0 ADAERN C=C(Cl)C(=O)NC[C@H]1CC1(F)F 717357735 573330868 /nfs/dbraw/zinc/33/08/68/573330868.db2.gz WEGUZPCXPWBSSH-RXMQYKEDSA-N 0 0 195.596 1.510 10 0 ADAERN Nc1cn2c3c(cccc13)CC2 74342135 573330877 /nfs/dbraw/zinc/33/08/77/573330877.db2.gz XMWBZMCRLQLSIX-UHFFFAOYSA-N 0 0 158.204 1.780 10 0 ADAERN CC[C@@H](O)Cn1cc(OC(C)C)cn1 308549937 573330888 /nfs/dbraw/zinc/33/08/88/573330888.db2.gz PNRHWQKACUWZQT-SECBINFHSA-N 0 0 198.266 1.441 10 0 ADAERN O=Cc1ccc(-c2cnco2)[nH]1 74341614 573330904 /nfs/dbraw/zinc/33/09/04/573330904.db2.gz VJESLUXGTAPNAJ-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN COC(=O)/C=C/c1nccs1 143602525 573330098 /nfs/dbraw/zinc/33/00/98/573330098.db2.gz PXVCXOYZJBRJRA-NSCUHMNNSA-N 0 0 169.205 1.329 10 0 ADAERN CN(C)c1noc(CC(C)(F)F)n1 306247989 573330130 /nfs/dbraw/zinc/33/01/30/573330130.db2.gz YFGJUSRJCQHCQT-UHFFFAOYSA-N 0 0 191.181 1.333 10 0 ADAERN COC(=O)CCC(=O)c1cc(C)co1 259608189 573330133 /nfs/dbraw/zinc/33/01/33/573330133.db2.gz DLVVDLNCLSYTCK-UHFFFAOYSA-N 0 0 196.202 1.724 10 0 ADAERN CNC(=O)C[C@@H]1Cc2ccccc2N1 258002805 573330151 /nfs/dbraw/zinc/33/01/51/573330151.db2.gz GFIDNAGBBSXKNR-VIFPVBQESA-N 0 0 190.246 1.159 10 0 ADAERN CC1(C)C(N2C(=O)C=CC2=O)C1(C)C 86240434 573330152 /nfs/dbraw/zinc/33/01/52/573330152.db2.gz NMPGKWZCBMNAEP-UHFFFAOYSA-N 0 0 193.246 1.346 10 0 ADAERN CCOC(=O)[C@@H]1CCc2nc(C)cn21 259608182 573330168 /nfs/dbraw/zinc/33/01/68/573330168.db2.gz DLSFMUWHZJGOCU-QMMMGPOBSA-N 0 0 194.234 1.242 10 0 ADAERN CC1=Nc2cnccc2NC(=O)C1 143569907 573330178 /nfs/dbraw/zinc/33/01/78/573330178.db2.gz UWQIQMCTPHIPGF-UHFFFAOYSA-N 0 0 175.191 1.516 10 0 ADAERN CCC(=O)c1c(N)cccc1OC 143594356 573330219 /nfs/dbraw/zinc/33/02/19/573330219.db2.gz UDMDAPFGWMXQKC-UHFFFAOYSA-N 0 0 179.219 1.870 10 0 ADAERN COc1ccc2c(c1)O[C@H](O)C[C@H]2C 238359866 573330248 /nfs/dbraw/zinc/33/02/48/573330248.db2.gz FGSHJSRYOCUROP-HQJQHLMTSA-N 0 0 194.230 1.900 10 0 ADAERN CC1(C)C(n2cncc2CO)C1(C)C 86240967 573330251 /nfs/dbraw/zinc/33/02/51/573330251.db2.gz KRYJHPCTQJUZCX-UHFFFAOYSA-N 0 0 194.278 1.983 10 0 ADAERN O=C([O-])/C=C\C[N@@H+]1CC2CCC1CC2 308549614 573330326 /nfs/dbraw/zinc/33/03/26/573330326.db2.gz XAFRHUZVPKZHGG-UPHRSURJSA-N 0 0 195.262 1.502 10 0 ADAERN CO[C@@H]1CCC[C@@H]([C@H](C)NN)C1 686358565 573330335 /nfs/dbraw/zinc/33/03/35/573330335.db2.gz KYDSTXAZNZOMJY-DJLDLDEBSA-N 0 0 172.272 1.043 10 0 ADAERN COC(=O)[C@@H]1CCC2(CCCC2)[C@H]1O 143572782 573330338 /nfs/dbraw/zinc/33/03/38/573330338.db2.gz SWDGFYQNPMSSKG-BDAKNGLRSA-N 0 0 198.262 1.491 10 0 ADAERN C[C@H]1CCc2ccccc2N1N 74341413 573330464 /nfs/dbraw/zinc/33/04/64/573330464.db2.gz RLBRHMPJAZEEKD-QMMMGPOBSA-N 0 0 162.236 1.701 10 0 ADAERN CCN1CCCC[C@H]1c1nc(N)no1 258002923 573330506 /nfs/dbraw/zinc/33/05/06/573330506.db2.gz MHDHOVMSZJFXLX-ZETCQYMHSA-N 0 0 196.254 1.199 10 0 ADAERN COc1ccnc2sc(N)nc12 143593149 573330489 /nfs/dbraw/zinc/33/04/89/573330489.db2.gz KVICLPINIXMTSE-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN COC(=O)[C@H]1c2ccccc2O[C@@H]1C 238359065 573330550 /nfs/dbraw/zinc/33/05/50/573330550.db2.gz DDVKLEJXBFOPBG-GMSGAONNSA-N 0 0 192.214 1.724 10 0 ADAERN CCC1CC(NCc2noc(C)n2)C1 308549286 573330585 /nfs/dbraw/zinc/33/05/85/573330585.db2.gz WVOPVXIOXSYSPR-UHFFFAOYSA-N 0 0 195.266 1.656 10 0 ADAERN CO[C@H](C1CCCC1)[NH+](C)C 259085834 573330587 /nfs/dbraw/zinc/33/05/87/573330587.db2.gz FWYCGNQUZRATPM-SECBINFHSA-N 0 0 157.257 1.711 10 0 ADAERN COc1cc(Cl)c2[nH]c(=O)[nH]c2c1 238359465 573330592 /nfs/dbraw/zinc/33/05/92/573330592.db2.gz PAKFRIGNCHFEKA-UHFFFAOYSA-N 0 0 198.609 1.518 10 0 ADAERN COC(=O)[C@H]1CCC2(CCCC2)[C@@H]1O 143572596 573330945 /nfs/dbraw/zinc/33/09/45/573330945.db2.gz SWDGFYQNPMSSKG-DTWKUNHWSA-N 0 0 198.262 1.491 10 0 ADAERN C[C@@H](O)c1c(F)ccc(F)c1O 258002831 573330606 /nfs/dbraw/zinc/33/06/06/573330606.db2.gz MDGWQHVYNRSXMP-SCSAIBSYSA-N 0 0 174.146 1.724 10 0 ADAERN C[NH2+][C@@H](C(C)C)[C@H](C(=O)[O-])C(C)C 259085713 573330645 /nfs/dbraw/zinc/33/06/45/573330645.db2.gz CZLGUEKRRUAVCA-BDAKNGLRSA-N 0 0 187.283 1.587 10 0 ADAERN C[C@@H](O)Cc1ccc(CO)cc1 258002645 573330652 /nfs/dbraw/zinc/33/06/52/573330652.db2.gz LZQQZEGDTRFZMV-MRVPVSSYSA-N 0 0 166.220 1.102 10 0 ADAERN Cn1c(=O)[nH]c2c(F)cccc21 117317872 573330655 /nfs/dbraw/zinc/33/06/55/573330655.db2.gz ZUYIBMAIQWEFDO-UHFFFAOYSA-N 0 0 166.155 1.006 10 0 ADAERN CC(C)Oc1ccc(NCNN)cc1 258631744 573330666 /nfs/dbraw/zinc/33/06/66/573330666.db2.gz KRQIHCZBQMDUCO-UHFFFAOYSA-N 0 0 195.266 1.307 10 0 ADAERN CCc1ccnc(Cl)c1N 74342403 573330673 /nfs/dbraw/zinc/33/06/73/573330673.db2.gz QHWDFXYHUOXQCW-UHFFFAOYSA-N 0 0 156.616 1.880 10 0 ADAERN COc1cc(Cl)c2ccnn2c1 238360131 573330709 /nfs/dbraw/zinc/33/07/09/573330709.db2.gz FAFGNCXGGCLWPH-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN CC(C)(O)c1ccc(F)cc1O 258002640 573330711 /nfs/dbraw/zinc/33/07/11/573330711.db2.gz LZJGNSWMOWFLHT-UHFFFAOYSA-N 0 0 170.183 1.759 10 0 ADAERN CCCc1ccnc(C(C)(C)O)n1 259085409 573330715 /nfs/dbraw/zinc/33/07/15/573330715.db2.gz MIHRNYRPLUAZHB-UHFFFAOYSA-N 0 0 180.251 1.657 10 0 ADAERN CCN[C@@H](COC)c1ncc(C)cn1 132708546 573330723 /nfs/dbraw/zinc/33/07/23/573330723.db2.gz KFDANXYHGQUUSP-VIFPVBQESA-N 0 0 195.266 1.082 10 0 ADAERN CNc1nc(-c2cc[nH]c2)c[nH]1 259085629 573330726 /nfs/dbraw/zinc/33/07/26/573330726.db2.gz MGYMNYGQPXHRDC-UHFFFAOYSA-N 0 0 162.196 1.447 10 0 ADAERN CNC(=S)CC(=O)C(C)(C)C 238358711 573330741 /nfs/dbraw/zinc/33/07/41/573330741.db2.gz ZLXGTPJABPGTOY-UHFFFAOYSA-N 0 0 173.281 1.539 10 0 ADAERN C[C@H](ON)c1ccc(O)cc1 259420476 573330750 /nfs/dbraw/zinc/33/07/50/573330750.db2.gz JMQKSSJOXWFOOB-LURJTMIESA-N 0 0 153.181 1.344 10 0 ADAERN CC(C)[C@@]1(C)CNC(=O)OC1 258631109 573330755 /nfs/dbraw/zinc/33/07/55/573330755.db2.gz XSCQQIPTPLFWEZ-QMMMGPOBSA-N 0 0 157.213 1.389 10 0 ADAERN Cc1cnnc(NC[C@H]2CC2(F)F)c1 717358829 573330756 /nfs/dbraw/zinc/33/07/56/573330756.db2.gz IVSVQKAQKAKDAO-SSDOTTSWSA-N 0 0 199.204 1.852 10 0 ADAERN CC[C@@H](C)NC(=O)c1ncc(N)s1 106876885 573330770 /nfs/dbraw/zinc/33/07/70/573330770.db2.gz HDCSKXGNQVZXOQ-RXMQYKEDSA-N 0 0 199.279 1.254 10 0 ADAERN O=C(CO)CCC1CCCC1 117283417 573332925 /nfs/dbraw/zinc/33/29/25/573332925.db2.gz PUSSTODGCHITJR-UHFFFAOYSA-N 0 0 156.225 1.518 10 0 ADAERN COC(=O)c1ncc(F)cc1C1CC1 238359892 573332840 /nfs/dbraw/zinc/33/28/40/573332840.db2.gz JCGGNRVNQMEWBK-UHFFFAOYSA-N 0 0 195.193 1.885 10 0 ADAERN CC(C)[C@H]1NC(=N)SC(=O)N1C 143518306 573333280 /nfs/dbraw/zinc/33/32/80/573333280.db2.gz MLVQFTHOCMMGEB-YFKPBYRVSA-N 0 0 187.268 1.082 10 0 ADAERN OCc1ncsc1C(F)(F)F 223023013 573332043 /nfs/dbraw/zinc/33/20/43/573332043.db2.gz XANYMJZJBACOHU-UHFFFAOYSA-N 0 0 183.154 1.654 10 0 ADAERN O=Cc1cnoc1C[C@H]1CCSC1 259419250 573332062 /nfs/dbraw/zinc/33/20/62/573332062.db2.gz YGKKLPGLWOWCDA-SSDOTTSWSA-N 0 0 197.259 1.783 10 0 ADAERN CNc1cnnc(C2CCCCC2)n1 259088921 573332075 /nfs/dbraw/zinc/33/20/75/573332075.db2.gz GRCMVASYSNAISC-UHFFFAOYSA-N 0 0 192.266 1.961 10 0 ADAERN COc1ccc2c(c1C)C(=O)O[C@@H]2O 238358999 573332085 /nfs/dbraw/zinc/33/20/85/573332085.db2.gz MKRAFLBYEJBHDX-VIFPVBQESA-N 0 0 194.186 1.165 10 0 ADAERN CO[C@H]1CC(C)(C)CCC1=O 224055210 573332112 /nfs/dbraw/zinc/33/21/12/573332112.db2.gz ASADZHYKPMANNB-QMMMGPOBSA-N 0 0 156.225 1.781 10 0 ADAERN CCO[C@@H](CC)[C@@H](O)c1nccn1C 132720324 573332140 /nfs/dbraw/zinc/33/21/40/573332140.db2.gz HBGQMQFXGADKNK-DTWKUNHWSA-N 0 0 198.266 1.269 10 0 ADAERN Nc1ccc2oc(C=O)nc2c1 74341599 573332142 /nfs/dbraw/zinc/33/21/42/573332142.db2.gz LPNFIIVGNANFOZ-UHFFFAOYSA-N 0 0 162.148 1.223 10 0 ADAERN CCCc1cc(C)nc(CCCO)n1 259420288 573332192 /nfs/dbraw/zinc/33/21/92/573332192.db2.gz VCPOSGYDCSUIDP-UHFFFAOYSA-N 0 0 194.278 1.662 10 0 ADAERN CCC[C@@H]1N[C@@H](CC(C)C)N(C)C1=O 132671410 573332216 /nfs/dbraw/zinc/33/22/16/573332216.db2.gz CFNBWCSVHRMMEI-VHSXEESVSA-N 0 0 198.310 1.589 10 0 ADAERN CC1(C)CNc2cccc(CO)c2N1 259419424 573332231 /nfs/dbraw/zinc/33/22/31/573332231.db2.gz YHUQWAOOJQAPRF-UHFFFAOYSA-N 0 0 192.262 1.795 10 0 ADAERN COc1cc(Cl)c2c(c1)CNC2=O 238358911 573332236 /nfs/dbraw/zinc/33/22/36/573332236.db2.gz LOXTWHUJPPEFAH-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN CNc1ncnc2c(Cl)c(C)nn12 238359524 573332244 /nfs/dbraw/zinc/33/22/44/573332244.db2.gz GKUDUDZRDLNDIC-UHFFFAOYSA-N 0 0 197.629 1.128 10 0 ADAERN COc1ccc2c(c1)[C@H](C)[C@@H]2O 238359075 573332262 /nfs/dbraw/zinc/33/22/62/573332262.db2.gz NFSZLKGQMQRMOJ-WKEGUHRASA-N 0 0 164.204 1.846 10 0 ADAERN CC1(C)CNC(=O)c2ccccc2C1 143504440 573332280 /nfs/dbraw/zinc/33/22/80/573332280.db2.gz PJANPYPMTPUTHX-UHFFFAOYSA-N 0 0 189.258 1.999 10 0 ADAERN C[C@]1(CO)CC(=O)c2ccccc2C1 224053268 573332286 /nfs/dbraw/zinc/33/22/86/573332286.db2.gz CVFBTWYAGFLECL-GFCCVEGCSA-N 0 0 190.242 1.814 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@@H]2CCO 106965647 573332315 /nfs/dbraw/zinc/33/23/15/573332315.db2.gz FHOBXQRWFYMMRD-SECBINFHSA-N 0 0 191.230 1.413 10 0 ADAERN Cc1cc(N)c2c(C)cc(=O)[nH]c2c1 143629376 573332330 /nfs/dbraw/zinc/33/23/30/573332330.db2.gz ZFZFRUILDJWIKK-UHFFFAOYSA-N 0 0 188.230 1.727 10 0 ADAERN OC[C@H](CC1COC1)C1CCCC1 258632032 573332352 /nfs/dbraw/zinc/33/23/52/573332352.db2.gz REIZTZDUJWSOFT-NSHDSACASA-N 0 0 184.279 1.822 10 0 ADAERN C[C@@H](ON)c1ccc(O)cc1 259420477 573332384 /nfs/dbraw/zinc/33/23/84/573332384.db2.gz JMQKSSJOXWFOOB-ZCFIWIBFSA-N 0 0 153.181 1.344 10 0 ADAERN COc1ccc(C(N)=S)s1 238358276 573332401 /nfs/dbraw/zinc/33/24/01/573332401.db2.gz MRDZSDVEIGMCPL-UHFFFAOYSA-N 0 0 173.262 1.391 10 0 ADAERN OCc1ccc2c(c1)SCCN2 259419457 573332415 /nfs/dbraw/zinc/33/24/15/573332415.db2.gz YIIPNRFKIBRDKF-UHFFFAOYSA-N 0 0 181.260 1.697 10 0 ADAERN CCO[C@H](CC)[C@@H](O)c1ccnn1C 132678203 573332436 /nfs/dbraw/zinc/33/24/36/573332436.db2.gz VGSVYQUNJVWYPF-ZJUUUORDSA-N 0 0 198.266 1.269 10 0 ADAERN Nc1cc([C@@H]2CCCCO2)n[nH]c1=O 259420179 573332447 /nfs/dbraw/zinc/33/24/47/573332447.db2.gz KCGNBMDVIVTATL-QMMMGPOBSA-N 0 0 195.222 1.006 10 0 ADAERN Cc1ccc(C[C@](C)([NH3+])C(=O)[O-])s1 117301863 573332457 /nfs/dbraw/zinc/33/24/57/573332457.db2.gz HXOBQUXVCLJWGN-VIFPVBQESA-N 0 0 199.275 1.401 10 0 ADAERN C1CCN(NCC2CC2)CC1 117322005 573332547 /nfs/dbraw/zinc/33/25/47/573332547.db2.gz TYNIEBLWQYIQGT-UHFFFAOYSA-N 0 0 154.257 1.387 10 0 ADAERN CCCc1cc(=O)c(O)co1 143508073 573332579 /nfs/dbraw/zinc/33/25/79/573332579.db2.gz NBCYCBPEWXCOKI-UHFFFAOYSA-N 0 0 154.165 1.298 10 0 ADAERN C=C(Cl)C(=O)NC[C@@H]1CC1(F)F 717357736 573332614 /nfs/dbraw/zinc/33/26/14/573332614.db2.gz WEGUZPCXPWBSSH-YFKPBYRVSA-N 0 0 195.596 1.510 10 0 ADAERN CO[C@@H](C)Cc1ccc(O)cc1 117278236 573332631 /nfs/dbraw/zinc/33/26/31/573332631.db2.gz JORUXMRBODPXQA-QMMMGPOBSA-N 0 0 166.220 1.970 10 0 ADAERN O=C1Nc2ccc(F)cc2[C@@H]1CCO 106966205 573333313 /nfs/dbraw/zinc/33/33/13/573333313.db2.gz GOQAHCVFSITWRM-ZETCQYMHSA-N 0 0 195.193 1.244 10 0 ADAERN CNC(=O)c1ccn2c(C)cccc12 238344331 573332671 /nfs/dbraw/zinc/33/26/71/573332671.db2.gz UABRHSCPSMETKZ-UHFFFAOYSA-N 0 0 188.230 1.607 10 0 ADAERN Cc1ccc(CNC(=O)CF)cc1 143654897 573332715 /nfs/dbraw/zinc/33/27/15/573332715.db2.gz KEWLILUTGFEINV-UHFFFAOYSA-N 0 0 181.210 1.581 10 0 ADAERN COc1cc(F)nc(C(F)F)c1N 238359679 573332730 /nfs/dbraw/zinc/33/27/30/573332730.db2.gz LEWKDDOHMLLBLR-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN COCOc1cccc(Cl)n1 238360024 573332747 /nfs/dbraw/zinc/33/27/47/573332747.db2.gz UQZIWDYZTGKFGD-UHFFFAOYSA-N 0 0 173.599 1.718 10 0 ADAERN CNC(=S)N(C)[Si](C)(C)C 238360054 573332756 /nfs/dbraw/zinc/33/27/56/573332756.db2.gz CLCOFDJHTIXPMO-UHFFFAOYSA-N 0 0 176.361 1.257 10 0 ADAERN Nc1cc(C2CCCCC2)c(=O)[nH]n1 258631995 573332760 /nfs/dbraw/zinc/33/27/60/573332760.db2.gz RDVUVCTXJPKBRZ-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN CNc1nnc(-c2ccc(N)cc2)o1 74383775 573332769 /nfs/dbraw/zinc/33/27/69/573332769.db2.gz NMXQXWCZYBMDBW-UHFFFAOYSA-N 0 0 190.206 1.361 10 0 ADAERN Cc1nnc2c(N)c(Cl)ccn12 74377394 573332779 /nfs/dbraw/zinc/33/27/79/573332779.db2.gz ZJAWAHZHNOFLOT-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN CO[C@@H]1[C@H](C(C)=O)CC1(C)C 238357938 573332877 /nfs/dbraw/zinc/33/28/77/573332877.db2.gz JPGNALBGWPLSAZ-JGVFFNPUSA-N 0 0 156.225 1.637 10 0 ADAERN CCOc1cnn(C[C@H](O)C2CC2)c1 308550713 573332956 /nfs/dbraw/zinc/33/29/56/573332956.db2.gz PXLDAGPQSIBIBU-JTQLQIEISA-N 0 0 196.250 1.053 10 0 ADAERN C=Cc1cnc(C(=O)OC)c(C)c1 238358562 573332963 /nfs/dbraw/zinc/33/29/63/573332963.db2.gz PNYLQKFZBXJSCK-UHFFFAOYSA-N 0 0 177.203 1.820 10 0 ADAERN CCO/C=C\NC(=O)c1ccccc1 308349408 573333010 /nfs/dbraw/zinc/33/30/10/573333010.db2.gz BWCBNXIOTILMGH-HJWRWDBZSA-N 0 0 191.230 1.924 10 0 ADAERN CNc1nccn2c(C)ccc12 238358467 573333052 /nfs/dbraw/zinc/33/30/52/573333052.db2.gz GLAAUFSXKDHASG-UHFFFAOYSA-N 0 0 161.208 1.684 10 0 ADAERN COC1=C[C@@H](O)CCC1 224054424 573333067 /nfs/dbraw/zinc/33/30/67/573333067.db2.gz BBKHDUHZCPBWLW-LURJTMIESA-N 0 0 128.171 1.062 10 0 ADAERN CO[C@@H]1CCC[C@H]([C@H](C)NN)C1 686358570 573333090 /nfs/dbraw/zinc/33/30/90/573333090.db2.gz KYDSTXAZNZOMJY-XHNCKOQMSA-N 0 0 172.272 1.043 10 0 ADAERN CC1(C)CNc2c(CO)cccc2N1 259419258 573333131 /nfs/dbraw/zinc/33/31/31/573333131.db2.gz YGKLQXCCRKHRLY-UHFFFAOYSA-N 0 0 192.262 1.795 10 0 ADAERN CCCOC[C@H](N)c1ncc(C)cn1 132653298 573333136 /nfs/dbraw/zinc/33/31/36/573333136.db2.gz YMPRPEZUVJAHIY-VIFPVBQESA-N 0 0 195.266 1.211 10 0 ADAERN CCOc1ccccc1N[C@@H](C)CO 308560709 573333165 /nfs/dbraw/zinc/33/31/65/573333165.db2.gz VXGBYXWYXZCNGC-VIFPVBQESA-N 0 0 195.262 1.878 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@H](CCO)C2 143502488 573333200 /nfs/dbraw/zinc/33/32/00/573333200.db2.gz VSXIHQAFUIVYPG-JTQLQIEISA-N 0 0 190.242 1.732 10 0 ADAERN CCOC[C@@H](NC)c1ncc(C)cn1 132684804 573333223 /nfs/dbraw/zinc/33/32/23/573333223.db2.gz PMIANEMYRQXTEQ-SECBINFHSA-N 0 0 195.266 1.082 10 0 ADAERN COc1ccc2c(c1)[C@@H](C)[C@@H]2O 238359129 573333242 /nfs/dbraw/zinc/33/32/42/573333242.db2.gz NFSZLKGQMQRMOJ-LDWIPMOCSA-N 0 0 164.204 1.846 10 0 ADAERN CC(C)(C)C1(C(C)(C)O)COC1 259420434 573333244 /nfs/dbraw/zinc/33/32/44/573333244.db2.gz YXGYETLNJRSBQZ-UHFFFAOYSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)CCc1nc(C(C)C)c[nH]1 259087483 573335013 /nfs/dbraw/zinc/33/50/13/573335013.db2.gz MKEXPOOEJCCKPQ-UHFFFAOYSA-N 0 0 196.250 1.639 10 0 ADAERN COC(=O)[C@H]1CCc2ccncc2C1 259608164 573333354 /nfs/dbraw/zinc/33/33/54/573333354.db2.gz DKYZFHHUPMRIQE-VIFPVBQESA-N 0 0 191.230 1.360 10 0 ADAERN C[C@H](NC[C@@H]1CCOC1)C(F)(F)F 308345626 573334928 /nfs/dbraw/zinc/33/49/28/573334928.db2.gz VBQRFJAUFBZAQE-BQBZGAKWSA-N 0 0 197.200 1.563 10 0 ADAERN C[C@@H](O)[C@@H]1COc2ccc(F)cc21 258003610 573335021 /nfs/dbraw/zinc/33/50/21/573335021.db2.gz IOMFWCBDYARDNC-MUWHJKNJSA-N 0 0 182.194 1.683 10 0 ADAERN Cc1[nH]c(=O)[nH]c1Cc1ccccc1 143539724 573334996 /nfs/dbraw/zinc/33/49/96/573334996.db2.gz DEQXCYOTOABAEN-UHFFFAOYSA-N 0 0 188.230 1.602 10 0 ADAERN CCCC(=O)Nc1nc(C)c(N)s1 74372651 573334998 /nfs/dbraw/zinc/33/49/98/573334998.db2.gz UXPQVCNHCLLKLS-UHFFFAOYSA-N 0 0 199.279 1.772 10 0 ADAERN Cc1cc(O)c2c(C)cc(=O)[nH]c2c1 143628311 573335008 /nfs/dbraw/zinc/33/50/08/573335008.db2.gz JASPHCVXNCPYNT-UHFFFAOYSA-N 0 0 189.214 1.851 10 0 ADAERN CC(C)/C=C/[C@H](C)[C@H](O)[C@@H](C)CO 214395176 573334905 /nfs/dbraw/zinc/33/49/05/573334905.db2.gz ILBAEXAYLQMETI-JMZSNQRZSA-N 0 0 186.295 1.824 10 0 ADAERN CNC(=O)OC[Si](C)(C)C 238357713 573344477 /nfs/dbraw/zinc/34/44/77/573344477.db2.gz GYHGVUDANSUJFH-UHFFFAOYSA-N 0 0 161.277 1.220 10 0 ADAERN COC(=O)[C@H]1CCC2=C(C1)C[C@H](O)C2 238360317 573335027 /nfs/dbraw/zinc/33/50/27/573335027.db2.gz FCNGDTCSMLODPC-WCBMZHEXSA-N 0 0 196.246 1.411 10 0 ADAERN O=C1NC[C@H]2c3ccccc3C[C@H]12 117444725 573335037 /nfs/dbraw/zinc/33/50/37/573335037.db2.gz GGUUHRCQFGFCQK-UWVGGRQHSA-N 0 0 173.215 1.072 10 0 ADAERN O=C(Cc1ncccn1)C1CCC1 259088548 573335051 /nfs/dbraw/zinc/33/50/51/573335051.db2.gz IZIQIACNOFPUOB-UHFFFAOYSA-N 0 0 176.219 1.388 10 0 ADAERN Cc1nnc(Nc2ccccc2O)o1 74385110 573335066 /nfs/dbraw/zinc/33/50/66/573335066.db2.gz KVQPSTQLGUAZBP-UHFFFAOYSA-N 0 0 191.190 1.827 10 0 ADAERN F[C@@H]1CN(Nc2ccccc2)CCN1 117430801 573335078 /nfs/dbraw/zinc/33/50/78/573335078.db2.gz SNXJCBMXEDRVEH-JTQLQIEISA-N 0 0 195.241 1.214 10 0 ADAERN C[C@H](O)C(=O)N(C)[C@@H](C)C1CCC1 308345886 573335084 /nfs/dbraw/zinc/33/50/84/573335084.db2.gz VEVVLPWATRWTAE-YUMQZZPRSA-N 0 0 185.267 1.014 10 0 ADAERN C[C@@H](O)[C@H]1COc2ccc(F)cc21 258003607 573335089 /nfs/dbraw/zinc/33/50/89/573335089.db2.gz IOMFWCBDYARDNC-HZGVNTEJSA-N 0 0 182.194 1.683 10 0 ADAERN CSc1onc(C)c1C(C)=O 143516932 573335108 /nfs/dbraw/zinc/33/51/08/573335108.db2.gz YIFZWOGTCSNHCJ-UHFFFAOYSA-N 0 0 171.221 1.908 10 0 ADAERN CCc1nnc2c(N)ccc(Cl)n12 74375805 573335872 /nfs/dbraw/zinc/33/58/72/573335872.db2.gz XBXDGXVEROUVSD-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN CO[C@H]1c2ccccc2O[C@H]1O 238360243 573335115 /nfs/dbraw/zinc/33/51/15/573335115.db2.gz YRXBFDPNMDUVLF-DTWKUNHWSA-N 0 0 166.176 1.085 10 0 ADAERN CCO[C@H]1C[C@@H]1CNCC(F)F 689946582 573335116 /nfs/dbraw/zinc/33/51/16/573335116.db2.gz FCZVBGNCUUAIOA-RQJHMYQMSA-N 0 0 179.210 1.266 10 0 ADAERN CNc1ncnc2nsc(C)c12 238360231 573335128 /nfs/dbraw/zinc/33/51/28/573335128.db2.gz RXJLVEXKTBMLPL-UHFFFAOYSA-N 0 0 180.236 1.436 10 0 ADAERN COc1cc(Cl)c2cncn2c1 238360210 573335167 /nfs/dbraw/zinc/33/51/67/573335167.db2.gz JKFCNRRNMKXPGG-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN COc1cc(F)[nH]c(=O)c1C(F)F 238360219 573335182 /nfs/dbraw/zinc/33/51/82/573335182.db2.gz PQXYXXGQGOHBBA-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN COc1cc(F)nc(N)c1C(F)F 238360194 573335196 /nfs/dbraw/zinc/33/51/96/573335196.db2.gz DLLUBXFFXYDMBD-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CCc1cc(NC2CC2)nn1C 259088798 573335199 /nfs/dbraw/zinc/33/51/99/573335199.db2.gz GNWPPYJKYLFKMG-UHFFFAOYSA-N 0 0 165.240 1.557 10 0 ADAERN CCCCOC(=O)[C@@H](C)[C@@H](C)O 78017209 573341396 /nfs/dbraw/zinc/34/13/96/573341396.db2.gz LBEZBFLTUMLBMM-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN OCC1(Cc2ccccc2F)COC1 259089167 573335274 /nfs/dbraw/zinc/33/52/74/573335274.db2.gz AIPUFNFSKUKDDW-UHFFFAOYSA-N 0 0 196.221 1.377 10 0 ADAERN Cc1nc(NC(=O)C2CC2)sc1N 74372665 573335282 /nfs/dbraw/zinc/33/52/82/573335282.db2.gz GZCLLTHKKWMTQU-UHFFFAOYSA-N 0 0 197.263 1.382 10 0 ADAERN CCC[C@@H](OCC)[C@@H](O)COCC 132792117 573335296 /nfs/dbraw/zinc/33/52/96/573335296.db2.gz YFXZNTIGJQXEDR-VHSXEESVSA-N 0 0 190.283 1.589 10 0 ADAERN COC(=O)[C@H]1CCC2=C(C[C@@H](O)C2)C1 238360301 573335297 /nfs/dbraw/zinc/33/52/97/573335297.db2.gz FCNGDTCSMLODPC-WPRPVWTQSA-N 0 0 196.246 1.411 10 0 ADAERN NC(=O)N1Cc2ccccc2CCO1 143624849 573335302 /nfs/dbraw/zinc/33/53/02/573335302.db2.gz LTSBFVPKMCPYDZ-UHFFFAOYSA-N 0 0 192.218 1.055 10 0 ADAERN CO[C@@H](C)CC[C@@H](NN)C(C)(C)C 132792311 573335310 /nfs/dbraw/zinc/33/53/10/573335310.db2.gz LZMHBUKBHYTMTA-DTWKUNHWSA-N 0 0 188.315 1.680 10 0 ADAERN CCOc1c(O)cnc(Cl)c1F 143557505 573335313 /nfs/dbraw/zinc/33/53/13/573335313.db2.gz MLZPFYYIWACEKP-UHFFFAOYSA-N 0 0 191.589 1.978 10 0 ADAERN CNc1cnnc(C2CCC2)n1 259086398 573335341 /nfs/dbraw/zinc/33/53/41/573335341.db2.gz GLBAMUZFWDGFAI-UHFFFAOYSA-N 0 0 164.212 1.181 10 0 ADAERN CNc1ncnc2oc(C)cc12 238360276 573335345 /nfs/dbraw/zinc/33/53/45/573335345.db2.gz YHIPRCOWDVHQNQ-UHFFFAOYSA-N 0 0 163.180 1.573 10 0 ADAERN COC(=O)C1=C(C)[C@H](O)CCC1 222668835 573335358 /nfs/dbraw/zinc/33/53/58/573335358.db2.gz KAVKADOYACTWRA-MRVPVSSYSA-N 0 0 170.208 1.021 10 0 ADAERN CC[C@H](C)/C=C/C=C\C[C@H]([NH3+])C(=O)[O-] 308350138 573335374 /nfs/dbraw/zinc/33/53/74/573335374.db2.gz JKGMWERDMUJXSH-UEYIFGJXSA-N 0 0 197.278 1.947 10 0 ADAERN C[C@](O)(CO)CCc1ccc(O)cc1 132778559 573335391 /nfs/dbraw/zinc/33/53/91/573335391.db2.gz XIPDCSQANGVTFG-LLVKDONJSA-N 0 0 196.246 1.068 10 0 ADAERN CCc1nnc2c(N)c(Cl)ccn12 74377405 573335425 /nfs/dbraw/zinc/33/54/25/573335425.db2.gz VXDAJWAWNKAWAI-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN Cc1ccccc1[C@H]1CNOC1 258633260 573335455 /nfs/dbraw/zinc/33/54/55/573335455.db2.gz XYSKOQALSHGVJT-VIFPVBQESA-N 0 0 163.220 1.613 10 0 ADAERN C[C@H](O)c1ccc2c(c1)ncn2C 74370044 573335462 /nfs/dbraw/zinc/33/54/62/573335462.db2.gz DEYWYAAKKBHKFX-ZETCQYMHSA-N 0 0 176.219 1.627 10 0 ADAERN OC[C@@H]1CCC12CCOCC2 258633410 573335505 /nfs/dbraw/zinc/33/55/05/573335505.db2.gz YDWCJRKMDBVWIU-QMMMGPOBSA-N 0 0 156.225 1.186 10 0 ADAERN CC[C@H](C)[C@@H]1OCC[C@H]1CO 86250945 573335560 /nfs/dbraw/zinc/33/55/60/573335560.db2.gz WHBNZLYQEHKFTB-CIUDSAMLSA-N 0 0 158.241 1.430 10 0 ADAERN OC[C@@H]1CCO[C@@H]1C1CCCC1 86251065 573335564 /nfs/dbraw/zinc/33/55/64/573335564.db2.gz VDBWMNHVAJISDI-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN CCCCO[C@H]1CC(=O)[C@@H]1OC 132764592 573335574 /nfs/dbraw/zinc/33/55/74/573335574.db2.gz IITOEAMGEZWCNH-IUCAKERBSA-N 0 0 172.224 1.160 10 0 ADAERN COc1cc(F)cc2[nH]c(=S)[nH]c12 238354515 573336438 /nfs/dbraw/zinc/33/64/38/573336438.db2.gz NQYKYSOCIMGCMU-UHFFFAOYSA-N 0 0 198.222 1.999 10 0 ADAERN OC[C@@H]1CCO[C@H]1c1ccsc1 86251027 573335610 /nfs/dbraw/zinc/33/56/10/573335610.db2.gz HVYDBPYHQPXRMD-IONNQARKSA-N 0 0 184.260 1.818 10 0 ADAERN COc1ccc2c(c1)N[C@@H](N)S2 238355460 573335645 /nfs/dbraw/zinc/33/56/45/573335645.db2.gz UYDYVUDUIZCSPQ-MRVPVSSYSA-N 0 0 182.248 1.455 10 0 ADAERN CC[NH2+]C[C@H](CC(=O)[O-])C(C)(C)C 308346187 573335652 /nfs/dbraw/zinc/33/56/52/573335652.db2.gz VLMYYTFFEAZKIL-QMMMGPOBSA-N 0 0 187.283 1.733 10 0 ADAERN NOCCc1cccc2oncc12 258004960 573335661 /nfs/dbraw/zinc/33/56/61/573335661.db2.gz MFCOHXWRWKKUFN-UHFFFAOYSA-N 0 0 178.191 1.261 10 0 ADAERN CN1Cc2n[nH]cc2[C@@H]1C1CC1 238355456 573335694 /nfs/dbraw/zinc/33/56/94/573335694.db2.gz NHBDTFYZQCCOAG-VIFPVBQESA-N 0 0 163.224 1.306 10 0 ADAERN COc1cc(F)cc2c[nH]nc12 238354265 573335719 /nfs/dbraw/zinc/33/57/19/573335719.db2.gz HYNACSDMMVXAMU-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN COc1ccc(F)nc1C(C)=O 238354929 573335735 /nfs/dbraw/zinc/33/57/35/573335735.db2.gz KUXNMJKGDHBFEM-UHFFFAOYSA-N 0 0 169.155 1.432 10 0 ADAERN CCn1nncc1C(=O)C1(CC)CC1 308560828 573335742 /nfs/dbraw/zinc/33/57/42/573335742.db2.gz XDRKNUWQTCTOBQ-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN OC[C@@H]1CCO[C@H]1C1CCCC1 86251068 573335746 /nfs/dbraw/zinc/33/57/46/573335746.db2.gz VDBWMNHVAJISDI-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1nc2cccc(Cl)n2c1CO 74375324 573335747 /nfs/dbraw/zinc/33/57/47/573335747.db2.gz JFHSDZUIJIDUOS-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN CC(=O)[C@@H](F)[C@H]1CCCCO1 258492593 573335750 /nfs/dbraw/zinc/33/57/50/573335750.db2.gz KEKWTGYVWQMXNX-HTQZYQBOSA-N 0 0 160.188 1.483 10 0 ADAERN COc1c(C=O)cc(C)c(C=O)c1C 238354170 573335769 /nfs/dbraw/zinc/33/57/69/573335769.db2.gz LJXQEMLHWVWJTK-UHFFFAOYSA-N 0 0 192.214 1.937 10 0 ADAERN CC(C)(O)Cc1cc[nH]c1 259088367 573335779 /nfs/dbraw/zinc/33/57/79/573335779.db2.gz IULIYNFISOFMEC-UHFFFAOYSA-N 0 0 139.198 1.328 10 0 ADAERN CO[C@@H]1[C@@H](CO)C12CCCCC2 238354692 573335784 /nfs/dbraw/zinc/33/57/84/573335784.db2.gz FDEJZSCYMGHRBU-RKDXNWHRSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@@]12CC=C[C@H]1[C@](C[NH3+])(CC(=O)[O-])C2 117423521 573335792 /nfs/dbraw/zinc/33/57/92/573335792.db2.gz PTVGWDGPLOLDKF-DVVUODLYSA-N 0 0 195.262 1.392 10 0 ADAERN Cc1nn(C)cc1NC(=O)C1CC1 143548905 573335806 /nfs/dbraw/zinc/33/58/06/573335806.db2.gz NYQNNXLZHODKIK-UHFFFAOYSA-N 0 0 179.223 1.077 10 0 ADAERN CC[S@](=O)NC(C)(C)C 198117076 573335816 /nfs/dbraw/zinc/33/58/16/573335816.db2.gz SVXCWRUNMAMPKK-VIFPVBQESA-N 0 0 149.259 1.058 10 0 ADAERN COc1cc(C(F)F)ncc1O 238355633 573335846 /nfs/dbraw/zinc/33/58/46/573335846.db2.gz GFFQQZQEBCWEOP-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN Cc1[nH]c(=O)c(N)cc1Cl 258633234 573335869 /nfs/dbraw/zinc/33/58/69/573335869.db2.gz XYBSNACELOKBFA-UHFFFAOYSA-N 0 0 158.588 1.331 10 0 ADAERN CCc1ccsc1N 106957374 573335895 /nfs/dbraw/zinc/33/58/95/573335895.db2.gz OAOSOXNBIUHVLW-UHFFFAOYSA-N 0 0 127.212 1.893 10 0 ADAERN CC1(C[NH2+]C(C)(C)C(=O)[O-])CCC1 308345619 573335908 /nfs/dbraw/zinc/33/59/08/573335908.db2.gz VBCJYKZIJJZODA-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN CO[C@H](c1nc(C(C)=O)c[nH]1)C1CC1 308560099 573335920 /nfs/dbraw/zinc/33/59/20/573335920.db2.gz VKUJAJVJLXUXCG-VIFPVBQESA-N 0 0 194.234 1.710 10 0 ADAERN Cc1nc(NC(=O)C(C)C)sc1N 74372658 573335944 /nfs/dbraw/zinc/33/59/44/573335944.db2.gz XTPXJSWLURWSPF-UHFFFAOYSA-N 0 0 199.279 1.628 10 0 ADAERN CNC(=O)c1cccc2c1CC[C@H]2O 238354721 573335953 /nfs/dbraw/zinc/33/59/53/573335953.db2.gz UJJOQCZVVYOMCV-SNVBAGLBSA-N 0 0 191.230 1.026 10 0 ADAERN Nc1cc(Cl)cc(C=O)c1 78067686 573335967 /nfs/dbraw/zinc/33/59/67/573335967.db2.gz HJPFENXGCWGVDP-UHFFFAOYSA-N 0 0 155.584 1.735 10 0 ADAERN CCC[C@H]1OCC[C@@H]1CO 86251022 573335974 /nfs/dbraw/zinc/33/59/74/573335974.db2.gz RLXDLFCLCYWMHK-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN C=C(C(=O)OC)c1ccncc1 258004919 573335981 /nfs/dbraw/zinc/33/59/81/573335981.db2.gz ARGZKUQMPNNNMM-UHFFFAOYSA-N 0 0 163.176 1.268 10 0 ADAERN C[C@H](NC[C@H]1CCOC1)C(F)(F)F 308345627 573335984 /nfs/dbraw/zinc/33/59/84/573335984.db2.gz VBQRFJAUFBZAQE-NKWVEPMBSA-N 0 0 197.200 1.563 10 0 ADAERN O=C(c1ccc(O)cc1)c1ccon1 143510163 573336463 /nfs/dbraw/zinc/33/64/63/573336463.db2.gz PBYUIXFHRTUUCB-UHFFFAOYSA-N 0 0 189.170 1.611 10 0 ADAERN CCO[C@H]1C[C@H]1CNCC(F)F 689946579 573335992 /nfs/dbraw/zinc/33/59/92/573335992.db2.gz FCZVBGNCUUAIOA-BQBZGAKWSA-N 0 0 179.210 1.266 10 0 ADAERN O=c1ccc([C@H]2CCCOC2)n[nH]1 259422513 573336000 /nfs/dbraw/zinc/33/60/00/573336000.db2.gz KHMWVGIMXXQOTB-ZETCQYMHSA-N 0 0 180.207 1.076 10 0 ADAERN C[C@@H]1C[C@H]2C[C@@H](O)[C@@H]1C2 143514744 573336020 /nfs/dbraw/zinc/33/60/20/573336020.db2.gz DDADYYRAWPFXAO-WCTZXXKLSA-N 0 0 126.199 1.413 10 0 ADAERN F[C@H]1CN(Nc2ccccc2)CCN1 117430803 573336023 /nfs/dbraw/zinc/33/60/23/573336023.db2.gz SNXJCBMXEDRVEH-SNVBAGLBSA-N 0 0 195.241 1.214 10 0 ADAERN CN1c2cccc(O)c2NCC12CC2 259421327 573336036 /nfs/dbraw/zinc/33/60/36/573336036.db2.gz YIXZCNDRQIMNGR-UHFFFAOYSA-N 0 0 190.246 1.787 10 0 ADAERN COc1ccc(C(F)F)c(CO)n1 238355698 573336046 /nfs/dbraw/zinc/33/60/46/573336046.db2.gz KPDAEKUJQNRTRK-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN COC1(c2ccc(CCO)cc2)CC1 259422494 573336050 /nfs/dbraw/zinc/33/60/50/573336050.db2.gz KGYYNJXWQHIRNT-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN OC[C@H]1CCO[C@H]1c1ccsc1 86251031 573336053 /nfs/dbraw/zinc/33/60/53/573336053.db2.gz HVYDBPYHQPXRMD-VXNVDRBHSA-N 0 0 184.260 1.818 10 0 ADAERN COc1c(C)cnc(F)c1OC 143506055 573336109 /nfs/dbraw/zinc/33/61/09/573336109.db2.gz YBOGCFGCPYCVGH-UHFFFAOYSA-N 0 0 171.171 1.546 10 0 ADAERN O=C1Nc2c(F)cccc2[C@H]1CCO 106966210 573336139 /nfs/dbraw/zinc/33/61/39/573336139.db2.gz MDQMEYOFJBQMBY-SSDOTTSWSA-N 0 0 195.193 1.244 10 0 ADAERN Cc1cnc(NC[C@@H]2CC2(F)F)nc1 717361457 573336153 /nfs/dbraw/zinc/33/61/53/573336153.db2.gz VOIBIMHYWBIAMG-ZETCQYMHSA-N 0 0 199.204 1.852 10 0 ADAERN COc1ccccc1N1N=NC[C@H]1O 238354776 573336155 /nfs/dbraw/zinc/33/61/55/573336155.db2.gz XJSAXCRTEGCIOP-SECBINFHSA-N 0 0 193.206 1.201 10 0 ADAERN CN[C@H](N)c1ccc(F)cc1F 259089061 573336159 /nfs/dbraw/zinc/33/61/59/573336159.db2.gz AIAWWIQXXWOBLE-QMMMGPOBSA-N 0 0 172.178 1.142 10 0 ADAERN COc1cc2[nH]ccc(=O)c2cc1F 143547671 573336451 /nfs/dbraw/zinc/33/64/51/573336451.db2.gz LMUDHFCGXBTGDL-UHFFFAOYSA-N 0 0 193.177 1.676 10 0 ADAERN COc1c(C)c(O)cc2cnncc12 238355842 573336162 /nfs/dbraw/zinc/33/61/62/573336162.db2.gz WBDLBIZKIWEFCI-UHFFFAOYSA-N 0 0 190.202 1.652 10 0 ADAERN CN[C@@H](N)c1ccc(F)cc1F 259087263 573336194 /nfs/dbraw/zinc/33/61/94/573336194.db2.gz AIAWWIQXXWOBLE-MRVPVSSYSA-N 0 0 172.178 1.142 10 0 ADAERN Cc1ncc([C@H]2CCOC2)c(Cl)n1 258633550 573336200 /nfs/dbraw/zinc/33/62/00/573336200.db2.gz VQXAGLULLQSESO-ZETCQYMHSA-N 0 0 198.653 1.942 10 0 ADAERN CONCc1cc(O)c(C)cc1OC 258006268 573336201 /nfs/dbraw/zinc/33/62/01/573336201.db2.gz HBJLFHDQAMMQNH-UHFFFAOYSA-N 0 0 197.234 1.360 10 0 ADAERN O=C1Nc2cc(F)ccc2[C@H]1CCO 106966216 573336210 /nfs/dbraw/zinc/33/62/10/573336210.db2.gz YKBYVFQUYWHDMH-MRVPVSSYSA-N 0 0 195.193 1.244 10 0 ADAERN CC(C)OC(=O)CNC[C@H](C)C1CC1 132794641 573336274 /nfs/dbraw/zinc/33/62/74/573336274.db2.gz GCOBXOOWIYIPQQ-VIFPVBQESA-N 0 0 199.294 1.574 10 0 ADAERN CO[C@@H](c1nc(C(C)=O)c[nH]1)C1CC1 308560098 573336218 /nfs/dbraw/zinc/33/62/18/573336218.db2.gz VKUJAJVJLXUXCG-SECBINFHSA-N 0 0 194.234 1.710 10 0 ADAERN Cc1cccc2c1C[C@H]([C@@H](C)O)O2 258007216 573336229 /nfs/dbraw/zinc/33/62/29/573336229.db2.gz CKJNKKIOTXCEKF-LDYMZIIASA-N 0 0 178.231 1.679 10 0 ADAERN COc1ccc(F)o1 238355140 573336240 /nfs/dbraw/zinc/33/62/40/573336240.db2.gz JGNWJLXCPBDCEE-UHFFFAOYSA-N 0 0 116.091 1.427 10 0 ADAERN C[C@H](CO)Sc1cc[nH]c1 259089305 573336327 /nfs/dbraw/zinc/33/63/27/573336327.db2.gz OZPVSMINVLYBTR-ZCFIWIBFSA-N 0 0 157.238 1.488 10 0 ADAERN C[C@@H]1C=CC[C@H]([C@@H](C)O)C1 143622179 573336335 /nfs/dbraw/zinc/33/63/35/573336335.db2.gz NZVXDCCJQFBHAX-HLTSFMKQSA-N 0 0 140.226 1.970 10 0 ADAERN CSC[C@H]1[C@H]2C(=O)CC[C@H]21 143629111 573336343 /nfs/dbraw/zinc/33/63/43/573336343.db2.gz SHUWFQLOJAORBA-BBVRLYRLSA-N 0 0 156.250 1.575 10 0 ADAERN C[C@@]1(C2CCC2)CCNC(=O)O1 258631271 573336347 /nfs/dbraw/zinc/33/63/47/573336347.db2.gz XUJGVEGMZBIHAA-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN Cc1nc(C=O)nc2c1CCC2 258633266 573336355 /nfs/dbraw/zinc/33/63/55/573336355.db2.gz XYVIXYNXLZRAFU-UHFFFAOYSA-N 0 0 162.192 1.086 10 0 ADAERN C[C@@H](NC[C@@H]1CCOC1)C(F)(F)F 308345629 573336359 /nfs/dbraw/zinc/33/63/59/573336359.db2.gz VBQRFJAUFBZAQE-RQJHMYQMSA-N 0 0 197.200 1.563 10 0 ADAERN C=C(C(=O)OC)c1ccccc1O 238354699 573336371 /nfs/dbraw/zinc/33/63/71/573336371.db2.gz NGOSNYKKXDFDRW-UHFFFAOYSA-N 0 0 178.187 1.578 10 0 ADAERN OCC1(CC2CCC2)COC1 259089114 573336375 /nfs/dbraw/zinc/33/63/75/573336375.db2.gz AIFOOAVCDXOOBA-UHFFFAOYSA-N 0 0 156.225 1.186 10 0 ADAERN COC1C(=O)Nc2ccccc21 117392422 573336402 /nfs/dbraw/zinc/33/64/02/573336402.db2.gz ULTXXHRGYNADMB-UHFFFAOYSA-N 0 0 163.176 1.882 10 0 ADAERN CO[C@@H]1C/C(=C/[C@H](C)O)C12CCC2 308345090 573336404 /nfs/dbraw/zinc/33/64/04/573336404.db2.gz UIRYGQQESKBUSZ-PKKHPGAQSA-N 0 0 182.263 1.883 10 0 ADAERN CC[C@H](C)O[C@@H]1CC(=O)[C@@H]1OC 132769502 573336420 /nfs/dbraw/zinc/33/64/20/573336420.db2.gz JAEQBVKKSJTNJU-ZQARSLAVSA-N 0 0 172.224 1.158 10 0 ADAERN CC[C@H](CNc1ncccc1N)OC 308560166 573336493 /nfs/dbraw/zinc/33/64/93/573336493.db2.gz DTLXZFCDYJWWLI-MRVPVSSYSA-N 0 0 195.266 1.501 10 0 ADAERN C=C(C(=O)OC)c1ccc(O)c(F)c1 238354618 573336507 /nfs/dbraw/zinc/33/65/07/573336507.db2.gz RBQGBLBSPADULP-UHFFFAOYSA-N 0 0 196.177 1.718 10 0 ADAERN CNc1c(CC(C)C)n[nH]c1C 259088834 573336533 /nfs/dbraw/zinc/33/65/33/573336533.db2.gz GOPZFDRFYBGFDW-UHFFFAOYSA-N 0 0 167.256 1.958 10 0 ADAERN OC[C@H]1CCO[C@H]1C1CCCC1 86251071 573336536 /nfs/dbraw/zinc/33/65/36/573336536.db2.gz VDBWMNHVAJISDI-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1nccnc1NC[C@@H]1CC1(F)F 717360728 573337266 /nfs/dbraw/zinc/33/72/66/573337266.db2.gz RYFPNQDIKWPPEK-ZETCQYMHSA-N 0 0 199.204 1.852 10 0 ADAERN CCC[C@H]1OCC[C@H]1CO 86251019 573337283 /nfs/dbraw/zinc/33/72/83/573337283.db2.gz RLXDLFCLCYWMHK-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)[C@@H]1NC(=N)SC(=O)N1C 143518104 573337290 /nfs/dbraw/zinc/33/72/90/573337290.db2.gz MLVQFTHOCMMGEB-RXMQYKEDSA-N 0 0 187.268 1.082 10 0 ADAERN CC(C)Oc1cccc([C@H](O)CO)c1 132782128 573337307 /nfs/dbraw/zinc/33/73/07/573337307.db2.gz LLQUSCIVWQCCDB-LLVKDONJSA-N 0 0 196.246 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164.208 1.521 10 0 ADAERN Oc1ccc(Cc2cccnn2)cc1 259422562 573338673 /nfs/dbraw/zinc/33/86/73/573338673.db2.gz KIZAWGDKUPTFCX-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN CCOc1ccccc1[C@@](C)(O)CO 132793919 573339506 /nfs/dbraw/zinc/33/95/06/573339506.db2.gz XKIBXUWUUAZBNQ-NSHDSACASA-N 0 0 196.246 1.285 10 0 ADAERN OC[C@@H]1CCCO[C@H]1c1ccoc1 86252394 573339581 /nfs/dbraw/zinc/33/95/81/573339581.db2.gz TWUNUQCMQFDXEC-WCBMZHEXSA-N 0 0 182.219 1.740 10 0 ADAERN OC[C@@H]1CCO[C@H]1C1CCCCC1 86251674 573340436 /nfs/dbraw/zinc/34/04/36/573340436.db2.gz SQVLBQDRIJQFSX-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN OC[C@@H]1CCO[C@@H]1c1cccnc1 86251105 573340634 /nfs/dbraw/zinc/34/06/34/573340634.db2.gz GANSWEBVWOQHOY-VHSXEESVSA-N 0 0 179.219 1.152 10 0 ADAERN C[C@H](CC[NH3+])c1ccc(C(=O)[O-])cc1 259422055 573339243 /nfs/dbraw/zinc/33/92/43/573339243.db2.gz ITZRQHWFGPLQHS-MRVPVSSYSA-N 0 0 193.246 1.837 10 0 ADAERN CC1(C)C(=O)N[C@H]1C(F)(F)F 107076639 573339245 /nfs/dbraw/zinc/33/92/45/573339245.db2.gz 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/nfs/dbraw/zinc/33/98/53/573339853.db2.gz XXHOPJCRIKRWAF-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1ccc(C(=O)O[C@H](C)CO)o1 308352105 573339888 /nfs/dbraw/zinc/33/98/88/573339888.db2.gz YXXJYZLDXVCOCW-SSDOTTSWSA-N 0 0 184.191 1.126 10 0 ADAERN CONC(=O)Oc1ccccc1O 238354134 573339899 /nfs/dbraw/zinc/33/98/99/573339899.db2.gz AYAKTDANBKCTOP-UHFFFAOYSA-N 0 0 183.163 1.042 10 0 ADAERN CC(C)OC(=O)CNC[C@@H](C)C1CC1 132794450 573339943 /nfs/dbraw/zinc/33/99/43/573339943.db2.gz GCOBXOOWIYIPQQ-SECBINFHSA-N 0 0 199.294 1.574 10 0 ADAERN CC1(C)CC(=O)c2c(noc2N)C1 107072931 573339949 /nfs/dbraw/zinc/33/99/49/573339949.db2.gz JGUBTRTVTCEMSV-UHFFFAOYSA-N 0 0 180.207 1.412 10 0 ADAERN Cc1cccc(C[C@@H]2COC[C@@H]2O)c1 687979293 573339972 /nfs/dbraw/zinc/33/99/72/573339972.db2.gz FKOXQESLOUXHMD-NEPJUHHUSA-N 0 0 192.258 1.545 10 0 ADAERN COc1cc(F)cc2nccnc12 238354597 573339976 /nfs/dbraw/zinc/33/99/76/573339976.db2.gz CFECOKPCYAITLJ-UHFFFAOYSA-N 0 0 178.166 1.778 10 0 ADAERN COc1ccc(F)n2cncc12 238354814 573339984 /nfs/dbraw/zinc/33/99/84/573339984.db2.gz XZQMJXMFJGZNGY-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN CCCOCC[C@@H](NN)C(C)(C)C 132775190 573339993 /nfs/dbraw/zinc/33/99/93/573339993.db2.gz IPVAJUWSMDYZBI-SECBINFHSA-N 0 0 188.315 1.681 10 0 ADAERN Cc1oc(C=O)c2c1CN(C)C2 238355653 573339997 /nfs/dbraw/zinc/33/99/97/573339997.db2.gz FJJBMSHAYGOBKV-UHFFFAOYSA-N 0 0 165.192 1.346 10 0 ADAERN C[N@H+](CCC1CC1)C1(C(=O)[O-])CCC1 308555351 573340002 /nfs/dbraw/zinc/34/00/02/573340002.db2.gz ZKQALPRCRKHPSN-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN C[C@@H](F)CCN[C@@]1(C)CCOC1=O 308351617 573340004 /nfs/dbraw/zinc/34/00/04/573340004.db2.gz YRQOFYBTLADBHU-APPZFPTMSA-N 0 0 189.230 1.030 10 0 ADAERN CC(=O)c1cnn(CC(=O)C2CC2)c1 308555107 573340049 /nfs/dbraw/zinc/34/00/49/573340049.db2.gz RSRQAXBUVFLCQY-UHFFFAOYSA-N 0 0 192.218 1.065 10 0 ADAERN FC(F)(F)CNC[C@@H]1CCC=CO1 50267089 573340050 /nfs/dbraw/zinc/34/00/50/573340050.db2.gz KRRCWDMCAIWTBR-ZETCQYMHSA-N 0 0 195.184 1.831 10 0 ADAERN 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1.912 10 0 ADAERN COc1ccc2c(c1)[C@@](C)(CO)CO2 238354651 573340108 /nfs/dbraw/zinc/34/01/08/573340108.db2.gz IETOQMLGKAEQBP-NSHDSACASA-N 0 0 194.230 1.338 10 0 ADAERN Cn1cc(-c2cn3ccncc3n2)cn1 129549965 573340122 /nfs/dbraw/zinc/34/01/22/573340122.db2.gz SIUIWODUYZZJDJ-UHFFFAOYSA-N 0 0 199.217 1.130 10 0 ADAERN CC(C)[C@H]1OCC[C@H]1CO 86251390 573340135 /nfs/dbraw/zinc/34/01/35/573340135.db2.gz VHBJQLXJJFKUJH-JGVFFNPUSA-N 0 0 144.214 1.040 10 0 ADAERN CCOCCC[C@@H](NN)C(C)(C)C 132774275 573340136 /nfs/dbraw/zinc/34/01/36/573340136.db2.gz SGZYXHWGOFJLHT-SECBINFHSA-N 0 0 188.315 1.681 10 0 ADAERN OC[C@@H]1CCO[C@@H]1c1cccc(F)c1 86251259 573340144 /nfs/dbraw/zinc/34/01/44/573340144.db2.gz GRWYVBXBTBSOGA-GXSJLCMTSA-N 0 0 196.221 1.896 10 0 ADAERN CN1CC(c2cccc(O)c2)CN1C 238355777 573340158 /nfs/dbraw/zinc/34/01/58/573340158.db2.gz QMAQGNOQMIJWPW-UHFFFAOYSA-N 0 0 192.262 1.268 10 0 ADAERN OC[C@H]1CCO[C@@H]1c1ccccc1F 86251147 573340167 /nfs/dbraw/zinc/34/01/67/573340167.db2.gz ORAPTNCXOCIYNG-KCJUWKMLSA-N 0 0 196.221 1.896 10 0 ADAERN OC[C@@H]1CCO[C@@H]1C1CCCCC1 86251672 573340176 /nfs/dbraw/zinc/34/01/76/573340176.db2.gz SQVLBQDRIJQFSX-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@]12C=CC[C@H]1CC2=O 117418688 573340180 /nfs/dbraw/zinc/34/01/80/573340180.db2.gz ANOPYAKONKHTCK-XPUUQOCRSA-N 0 0 122.167 1.542 10 0 ADAERN COC(=O)c1n[nH]c(C(C)C)c1C 259421232 573340187 /nfs/dbraw/zinc/34/01/87/573340187.db2.gz LJKAJHVXYJYIDB-UHFFFAOYSA-N 0 0 182.223 1.628 10 0 ADAERN COc1c2c(F)cccc2nn1C 107082729 573340188 /nfs/dbraw/zinc/34/01/88/573340188.db2.gz UFMHLGOCLGQCSB-UHFFFAOYSA-N 0 0 180.182 1.721 10 0 ADAERN COc1c(C)cc(C)cc1NCNN 259089532 573340207 /nfs/dbraw/zinc/34/02/07/573340207.db2.gz NMJRUJDGVPPKRO-UHFFFAOYSA-N 0 0 195.266 1.145 10 0 ADAERN c1nc(-c2ccc3onnc3c2)n[nH]1 143665918 573340212 /nfs/dbraw/zinc/34/02/12/573340212.db2.gz MADFCHNROUXRPY-UHFFFAOYSA-N 0 0 187.162 1.008 10 0 ADAERN CC[C@H](C)C(=O)c1cn(C)nc1C 223034463 573340216 /nfs/dbraw/zinc/34/02/16/573340216.db2.gz SYEYLSRMOOOPLI-ZETCQYMHSA-N 0 0 180.251 1.957 10 0 ADAERN Nc1ccc2noc(NC3CC3)c2c1 107079223 573341408 /nfs/dbraw/zinc/34/14/08/573341408.db2.gz BEFQJTVOWVPOMU-UHFFFAOYSA-N 0 0 189.218 1.984 10 0 ADAERN CCCc1nc2n(n1)CCCC2 258305218 573340265 /nfs/dbraw/zinc/34/02/65/573340265.db2.gz JNSYJIPWLRIHBW-UHFFFAOYSA-N 0 0 165.240 1.567 10 0 ADAERN Cc1nnc(C(C)(C)C)c(N)n1 259091613 573340267 /nfs/dbraw/zinc/34/02/67/573340267.db2.gz GWHOKUDLPWNOSO-UHFFFAOYSA-N 0 0 166.228 1.060 10 0 ADAERN CCC[C@@H](OCC)[C@H](O)COC 132767414 573340275 /nfs/dbraw/zinc/34/02/75/573340275.db2.gz AIDVYBVSUJPPFX-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN COC(OC)c1ccc(C)cc1O 238354200 573340288 /nfs/dbraw/zinc/34/02/88/573340288.db2.gz FFNFGIIORKYOPK-UHFFFAOYSA-N 0 0 182.219 1.992 10 0 ADAERN FC(F)(F)c1noc2ncncc12 107073935 573340293 /nfs/dbraw/zinc/34/02/93/573340293.db2.gz WIOLVZIXDDRWDN-UHFFFAOYSA-N 0 0 189.096 1.637 10 0 ADAERN COC(OC)c1ccnc(Cl)n1 238354956 573340302 /nfs/dbraw/zinc/34/03/02/573340302.db2.gz FKTWAFBZSPUCSC-UHFFFAOYSA-N 0 0 188.614 1.421 10 0 ADAERN CO[C@H]1CC[C@@H](O)C12CCCC2 238354843 573340314 /nfs/dbraw/zinc/34/03/14/573340314.db2.gz SPQFOMNDJZDPBN-BDAKNGLRSA-N 0 0 170.252 1.717 10 0 ADAERN COC(=O)/C=C\c1sc(C)nc1C 223215678 573340334 /nfs/dbraw/zinc/34/03/34/573340334.db2.gz MFWRJQPRNATOTI-PLNGDYQASA-N 0 0 197.259 1.946 10 0 ADAERN C[C@H](O)c1ccoc1Cl 235561175 573340391 /nfs/dbraw/zinc/34/03/91/573340391.db2.gz JCQXHHXPWQLHJK-BYPYZUCNSA-N 0 0 146.573 1.986 10 0 ADAERN OC[C@@H]1CCO[C@H]1c1cccc(F)c1 86251260 573340401 /nfs/dbraw/zinc/34/04/01/573340401.db2.gz GRWYVBXBTBSOGA-ONGXEEELSA-N 0 0 196.221 1.896 10 0 ADAERN CC(C)C[C@@H]1OCC[C@@H]1CO 86251557 573340407 /nfs/dbraw/zinc/34/04/07/573340407.db2.gz XTEKJMWOZNPIDU-BDAKNGLRSA-N 0 0 158.241 1.430 10 0 ADAERN OC[C@H]1CCCO[C@@H]1C1CCCC1 86251870 573340415 /nfs/dbraw/zinc/34/04/15/573340415.db2.gz OYNIPGAKQZXWGE-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)Oc1cnn([C@H](C)[C@H](C)O)c1 308555774 573340418 /nfs/dbraw/zinc/34/04/18/573340418.db2.gz SDUNASSQYRAHQE-BDAKNGLRSA-N 0 0 198.266 1.612 10 0 ADAERN CC(C)Oc1cnn([C@H](C)[C@@H](C)O)c1 308555780 573340442 /nfs/dbraw/zinc/34/04/42/573340442.db2.gz SDUNASSQYRAHQE-RKDXNWHRSA-N 0 0 198.266 1.612 10 0 ADAERN CCOc1ccc([C@](C)(O)CO)cc1 132792223 573340447 /nfs/dbraw/zinc/34/04/47/573340447.db2.gz XPOFTQCBYADFNA-LLVKDONJSA-N 0 0 196.246 1.285 10 0 ADAERN C[C@]1(C2CCC2)CCNC(=O)O1 258631266 573340464 /nfs/dbraw/zinc/34/04/64/573340464.db2.gz XUJGVEGMZBIHAA-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN CN(C)c1cc(O)ccc1O 143640818 573340466 /nfs/dbraw/zinc/34/04/66/573340466.db2.gz UWUNWZJAUUXNBQ-UHFFFAOYSA-N 0 0 153.181 1.164 10 0 ADAERN CC(=O)NC1(C)CCC(CO)CC1 215167016 573340468 /nfs/dbraw/zinc/34/04/68/573340468.db2.gz VTEGCDJTUOSYPH-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN COC[C@H]1COc2cccc(N)c2O1 143663404 573340473 /nfs/dbraw/zinc/34/04/73/573340473.db2.gz HABCXAKUAMFSSR-ZETCQYMHSA-N 0 0 195.218 1.055 10 0 ADAERN Cc1cc(F)ccc1[C@H]1COC[C@@H]1O 687959048 573340481 /nfs/dbraw/zinc/34/04/81/573340481.db2.gz IGTYQBLGLNLPHS-MNOVXSKESA-N 0 0 196.221 1.609 10 0 ADAERN CCOc1ccc([C@@](C)(O)CO)cc1 132792432 573340504 /nfs/dbraw/zinc/34/05/04/573340504.db2.gz XPOFTQCBYADFNA-NSHDSACASA-N 0 0 196.246 1.285 10 0 ADAERN C/C=C/Cn1c(OC)nc(C)cc1=O 86254395 573340528 /nfs/dbraw/zinc/34/05/28/573340528.db2.gz OFSQJPHHMWNSAJ-SNAWJCMRSA-N 0 0 194.234 1.136 10 0 ADAERN OC[C@H]1CCO[C@@H]1C1CCCCC1 86251676 573340557 /nfs/dbraw/zinc/34/05/57/573340557.db2.gz SQVLBQDRIJQFSX-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)C[C@H]1OCCC[C@@H]1CO 86252278 573340563 /nfs/dbraw/zinc/34/05/63/573340563.db2.gz HGJJWUCHAIFLFD-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN OC[C@@H]1CCCO[C@H]1c1cccnc1 86251903 573340574 /nfs/dbraw/zinc/34/05/74/573340574.db2.gz QNPUKXKTFVWSCZ-QWRGUYRKSA-N 0 0 193.246 1.542 10 0 ADAERN COc1cccc(NCCCO)c1N 129571837 573340576 /nfs/dbraw/zinc/34/05/76/573340576.db2.gz MRIYFJQAGDDVOA-UHFFFAOYSA-N 0 0 196.250 1.072 10 0 ADAERN c1cc(-c2cn3ccncc3n2)ccn1 129542877 573340589 /nfs/dbraw/zinc/34/05/89/573340589.db2.gz WFHOHEMGDVBJSY-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CO[C@H](C)CC[C@@H](NN)C(C)(C)C 132792484 573340599 /nfs/dbraw/zinc/34/05/99/573340599.db2.gz LZMHBUKBHYTMTA-RKDXNWHRSA-N 0 0 188.315 1.680 10 0 ADAERN CCOc1cccc(NCCO)c1N 129569605 573340622 /nfs/dbraw/zinc/34/06/22/573340622.db2.gz VUWOXGWDINJJSM-UHFFFAOYSA-N 0 0 196.250 1.072 10 0 ADAERN OC[C@@H]1CCO[C@@H]1[C@H]1CC=CCC1 86251255 573340629 /nfs/dbraw/zinc/34/06/29/573340629.db2.gz UHYLTYNIUQHTQV-GARJFASQSA-N 0 0 182.263 1.740 10 0 ADAERN COC(=O)C[C@H](C)C(=O)[C@]1(C)C[C@@H]1C 714673911 573340712 /nfs/dbraw/zinc/34/07/12/573340712.db2.gz DNOCAVYVKZUNOT-DKCNOQQISA-N 0 0 198.262 1.801 10 0 ADAERN CC(C)(C)C[C@H]1OCC[C@@H]1CO 86251698 573340714 /nfs/dbraw/zinc/34/07/14/573340714.db2.gz DEGHDTWIPKOSBB-RKDXNWHRSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@@H](C)[C@](C)([NH2+]CC1CC1)C(=O)[O-] 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573343003 /nfs/dbraw/zinc/34/30/03/573343003.db2.gz TWUNUQCMQFDXEC-PSASIEDQSA-N 0 0 182.219 1.740 10 0 ADAERN OC[C@H]1CCO[C@H]1c1cccs1 86251360 573343026 /nfs/dbraw/zinc/34/30/26/573343026.db2.gz PLEVVFMNPHMPSY-VXNVDRBHSA-N 0 0 184.260 1.818 10 0 ADAERN CO[C@H]1CCc2c(O)ccc(O)c21 238357607 573343252 /nfs/dbraw/zinc/34/32/52/573343252.db2.gz LVYOQOHHAJVHBT-VIFPVBQESA-N 0 0 180.203 1.732 10 0 ADAERN OC1(c2ccc3[nH]cnc3c2)CC1 258004998 573343029 /nfs/dbraw/zinc/34/30/29/573343029.db2.gz MFDYYPNICHIVSZ-UHFFFAOYSA-N 0 0 174.203 1.544 10 0 ADAERN CCOC(=O)[C@H](NC)C1CCCC1 50272626 573343034 /nfs/dbraw/zinc/34/30/34/573343034.db2.gz OBKWCCDMAXQXTR-SECBINFHSA-N 0 0 185.267 1.328 10 0 ADAERN OC[C@H]1CCCO[C@@H]1c1ccoc1 86252396 573343035 /nfs/dbraw/zinc/34/30/35/573343035.db2.gz TWUNUQCMQFDXEC-SCZZXKLOSA-N 0 0 182.219 1.740 10 0 ADAERN O=C1CCCOc2cc(O)ccc2N1 258291476 573343063 /nfs/dbraw/zinc/34/30/63/573343063.db2.gz NUMYBZVVQWALLC-UHFFFAOYSA-N 0 0 193.202 1.503 10 0 ADAERN CO[C@@H]1C(=O)C[C@H]1OCC(C)C 132740121 573343066 /nfs/dbraw/zinc/34/30/66/573343066.db2.gz WMMCXBHVGPGSBD-RKDXNWHRSA-N 0 0 172.224 1.015 10 0 ADAERN COC(=O)C[C@H](C)C(=O)C1CCCC1 50271530 573343071 /nfs/dbraw/zinc/34/30/71/573343071.db2.gz BJOMMWLATHTPOM-QMMMGPOBSA-N 0 0 198.262 1.945 10 0 ADAERN COc1ccc(N)c(C[S@@](C)=O)c1 238362656 573343078 /nfs/dbraw/zinc/34/30/78/573343078.db2.gz JUSYVVWZLZPUSS-CYBMUJFWSA-N 0 0 199.275 1.156 10 0 ADAERN OC[C@@H]1CCO[C@@H]1[C@@H]1CC=CCC1 86251252 573343110 /nfs/dbraw/zinc/34/31/10/573343110.db2.gz UHYLTYNIUQHTQV-OUAUKWLOSA-N 0 0 182.263 1.740 10 0 ADAERN C[C@H](CO)c1cnc([C@@H]2CCOC2)o1 258287968 573343126 /nfs/dbraw/zinc/34/31/26/573343126.db2.gz YWPDBIRWVMMZHS-HTQZYQBOSA-N 0 0 197.234 1.274 10 0 ADAERN CCOCCOC1CCC(=O)CC1 129576432 573343129 /nfs/dbraw/zinc/34/31/29/573343129.db2.gz LJYIMNMMUCRVJE-UHFFFAOYSA-N 0 0 186.251 1.551 10 0 ADAERN CCSC(=O)c1cc[nH]c1N 258005463 573343257 /nfs/dbraw/zinc/34/32/57/573343257.db2.gz ZOBNUZPRNMEFQS-UHFFFAOYSA-N 0 0 170.237 1.490 10 0 ADAERN CC[C@@](O)(CO)Cc1ccccc1 132802544 573343150 /nfs/dbraw/zinc/34/31/50/573343150.db2.gz FKKQTTOHODUQAN-NSHDSACASA-N 0 0 180.247 1.363 10 0 ADAERN CCOC[C@@H]1C[NH2+][C@@H](C2CCC2)CO1 717617222 573343155 /nfs/dbraw/zinc/34/31/55/573343155.db2.gz YZQFDYVZDATSPT-WDEREUQCSA-N 0 0 199.294 1.180 10 0 ADAERN CCc1ccc(C)cc1CON 238356689 573343169 /nfs/dbraw/zinc/34/31/69/573343169.db2.gz AOKKLNVLTDLOLF-UHFFFAOYSA-N 0 0 165.236 1.948 10 0 ADAERN COc1c(C)ccc(CO)c1N 238362798 573343175 /nfs/dbraw/zinc/34/31/75/573343175.db2.gz MQQMJFGMAMFDBY-UHFFFAOYSA-N 0 0 167.208 1.078 10 0 ADAERN OCc1coc(C[C@@H]2CCSC2)n1 258287801 573343261 /nfs/dbraw/zinc/34/32/61/573343261.db2.gz YUFYKGOMXHWOFO-ZETCQYMHSA-N 0 0 199.275 1.463 10 0 ADAERN Cc1cc(C(F)(F)F)c(N)[nH]1 107103549 573345703 /nfs/dbraw/zinc/34/57/03/573345703.db2.gz ZCHUXENTIHRVJS-UHFFFAOYSA-N 0 0 164.130 1.924 10 0 ADAERN O=Cc1ccc(CC2CC2)[nH]1 82320868 573344113 /nfs/dbraw/zinc/34/41/13/573344113.db2.gz FMXHBDGBUNXIMP-UHFFFAOYSA-N 0 0 149.193 1.780 10 0 ADAERN CO[C@@H]1CCc2[nH]c(C)cc(=O)c2C1 238362847 573343851 /nfs/dbraw/zinc/34/38/51/573343851.db2.gz UXAVZPJXGXZEKU-MRVPVSSYSA-N 0 0 193.246 1.187 10 0 ADAERN C[C@H](O)c1noc(C(F)F)n1 235562900 573343853 /nfs/dbraw/zinc/34/38/53/573343853.db2.gz CKISKCHMGCWRGS-REOHCLBHSA-N 0 0 164.111 1.061 10 0 ADAERN CCC[N@@H+]1CCC(C)(C)[C@H](C(=O)[O-])C1 259423022 573343861 /nfs/dbraw/zinc/34/38/61/573343861.db2.gz ZOGCTTRUSHUDHS-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN COc1cc(C(N)=O)ccc1SC 238357091 573343875 /nfs/dbraw/zinc/34/38/75/573343875.db2.gz FFFAEYZLHRYLJA-UHFFFAOYSA-N 0 0 197.259 1.516 10 0 ADAERN OC[C@H]1CCO[C@@H]1c1cccc(F)c1 86251262 573343889 /nfs/dbraw/zinc/34/38/89/573343889.db2.gz GRWYVBXBTBSOGA-MWLCHTKSSA-N 0 0 196.221 1.896 10 0 ADAERN Cc1c(O)cccc1[C@H](C)O 78017007 573343900 /nfs/dbraw/zinc/34/39/00/573343900.db2.gz DKOKMNFNZGAMDK-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN CCCC[C@@H]1OCC[C@H]1CO 86251114 573343904 /nfs/dbraw/zinc/34/39/04/573343904.db2.gz XJKDNQPKENMQNN-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN COc1ccc(C2=NCCC2)c(O)c1 238356068 573343931 /nfs/dbraw/zinc/34/39/31/573343931.db2.gz XNZROYCFOBQESK-UHFFFAOYSA-N 0 0 191.230 1.984 10 0 ADAERN NOC/C=C/C1CCCC1 258634217 573343932 /nfs/dbraw/zinc/34/39/32/573343932.db2.gz RMCNXJBGEHGPQK-ZZXKWVIFSA-N 0 0 141.214 1.623 10 0 ADAERN CC(C)C[NH2+][C@H](C(=O)[O-])C1CCCC1 50272774 573343938 /nfs/dbraw/zinc/34/39/38/573343938.db2.gz GUDDJZLCVNPECZ-JTQLQIEISA-N 0 0 199.294 1.875 10 0 ADAERN OCCc1cnc([C@@H]2CCCCO2)o1 258287833 573344134 /nfs/dbraw/zinc/34/41/34/573344134.db2.gz YVDXOIHBMMNRCT-VIFPVBQESA-N 0 0 197.234 1.451 10 0 ADAERN COC(=O)[C@@H](NC1CC1)C1CCCC1 50272633 573343967 /nfs/dbraw/zinc/34/39/67/573343967.db2.gz WTTSPNYNTRDJOR-JTQLQIEISA-N 0 0 197.278 1.470 10 0 ADAERN CC[C@@H]1OCCC[C@@H]1CO 86251745 573343971 /nfs/dbraw/zinc/34/39/71/573343971.db2.gz VNJGZMOLQKMTJL-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN CNN1[C@@H](C)CCC[C@@H]1C 78097182 573343973 /nfs/dbraw/zinc/34/39/73/573343973.db2.gz HEGQBHMCUGVFEK-YUMQZZPRSA-N 0 0 142.246 1.384 10 0 ADAERN CCC(CC)c1nnc(CN)o1 50283463 573343980 /nfs/dbraw/zinc/34/39/80/573343980.db2.gz BHCPWZBQLHHKJR-UHFFFAOYSA-N 0 0 169.228 1.432 10 0 ADAERN OC[C@@H]1CCO[C@H]1Cc1ccccc1 86251346 573344002 /nfs/dbraw/zinc/34/40/02/573344002.db2.gz ACVXDHIWYGAFDF-RYUDHWBXSA-N 0 0 192.258 1.627 10 0 ADAERN Cc1ccc(CCOCC(N)=O)s1 238467627 573344035 /nfs/dbraw/zinc/34/40/35/573344035.db2.gz BNJXUOPGHBTVQD-UHFFFAOYSA-N 0 0 199.275 1.101 10 0 ADAERN CCc1ccc([C@H]2OCC[C@@H]2CO)o1 86251531 573344036 /nfs/dbraw/zinc/34/40/36/573344036.db2.gz VLHYWVTXYZXQGO-KCJUWKMLSA-N 0 0 196.246 1.912 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)OC(C)(C)C 124152037 573344050 /nfs/dbraw/zinc/34/40/50/573344050.db2.gz FPPQJVTUFKOQGH-SFYZADRCSA-N 0 0 186.251 1.753 10 0 ADAERN OC[C@@H]1CCO[C@H]1c1cccs1 86251356 573344054 /nfs/dbraw/zinc/34/40/54/573344054.db2.gz PLEVVFMNPHMPSY-IONNQARKSA-N 0 0 184.260 1.818 10 0 ADAERN CO[C@@H]1CC[C@H]2CC(=O)C[C@@]21C 238362556 573344060 /nfs/dbraw/zinc/34/40/60/573344060.db2.gz GVZQNHZNCWIQBG-SFGNSQDASA-N 0 0 168.236 1.781 10 0 ADAERN O[C@H]1c2ccccc2[C@@H]2O[C@H]12 143681380 573344073 /nfs/dbraw/zinc/34/40/73/573344073.db2.gz YYCIPZNUPHWNMW-XHNCKOQMSA-N 0 0 148.161 1.174 10 0 ADAERN COC(=O)[C@@H]1c2ccccc2O[C@H]1C 238356969 573344079 /nfs/dbraw/zinc/34/40/79/573344079.db2.gz DDVKLEJXBFOPBG-XVKPBYJWSA-N 0 0 192.214 1.724 10 0 ADAERN CC[C@@H]1N[C@H](C)C(=O)N1C1CCC1 124153538 573344177 /nfs/dbraw/zinc/34/41/77/573344177.db2.gz RMNXWEHFTWPBIJ-VXNVDRBHSA-N 0 0 182.267 1.095 10 0 ADAERN CCCOC[C@@H](O)c1ccncc1C 132824306 573344193 /nfs/dbraw/zinc/34/41/93/573344193.db2.gz ZANVGVXTNRHRHI-LLVKDONJSA-N 0 0 195.262 1.850 10 0 ADAERN CCOCC(=O)c1ccncc1CC 132810234 573344236 /nfs/dbraw/zinc/34/42/36/573344236.db2.gz SGLCESVCGNDIBN-UHFFFAOYSA-N 0 0 193.246 1.863 10 0 ADAERN CC(=O)[C@H](C)CF 107114254 573344238 /nfs/dbraw/zinc/34/42/38/573344238.db2.gz IIWWXONWYBIHFH-SCSAIBSYSA-N 0 0 104.124 1.181 10 0 ADAERN OC[C@@H]1CCO[C@H]1c1ccoc1 86251713 573344242 /nfs/dbraw/zinc/34/42/42/573344242.db2.gz IQXRYEAVRFADLM-IONNQARKSA-N 0 0 168.192 1.350 10 0 ADAERN COCCNc1cccc(OC)c1N 129558918 573344247 /nfs/dbraw/zinc/34/42/47/573344247.db2.gz LCWUKYXFPKYZTF-UHFFFAOYSA-N 0 0 196.250 1.336 10 0 ADAERN c1cnc(-c2cn3ccncc3n2)cn1 129541754 573344261 /nfs/dbraw/zinc/34/42/61/573344261.db2.gz QDGCGCPITYALIR-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN CC(=O)Oc1ccc2ocnc2c1 117447580 573344263 /nfs/dbraw/zinc/34/42/63/573344263.db2.gz QCYKTJONLYIENW-UHFFFAOYSA-N 0 0 177.159 1.753 10 0 ADAERN CC(C)(C)C[C@H]1OCC[C@H]1CO 86251695 573344281 /nfs/dbraw/zinc/34/42/81/573344281.db2.gz DEGHDTWIPKOSBB-DTWKUNHWSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H](F)C1(CC(=O)[O-])CC[NH2+]CC1 259609637 573344290 /nfs/dbraw/zinc/34/42/90/573344290.db2.gz DOZZYHAJDSALOH-ZETCQYMHSA-N 0 0 189.230 1.189 10 0 ADAERN CNC(=O)OC=C(Cl)Cl 238356064 573344301 /nfs/dbraw/zinc/34/43/01/573344301.db2.gz OQQWEOKDIQIAEQ-UHFFFAOYSA-N 0 0 169.995 1.619 10 0 ADAERN CN1CC2(CCCCC2)NC1=O 238356099 573344311 /nfs/dbraw/zinc/34/43/11/573344311.db2.gz XXIKFFDOUZIQRX-UHFFFAOYSA-N 0 0 168.240 1.344 10 0 ADAERN O=C1NC[C@@H](C[C@@H]2CCSC2)O1 258307445 573344312 /nfs/dbraw/zinc/34/43/12/573344312.db2.gz JQUPULBTJUZVES-NKWVEPMBSA-N 0 0 187.264 1.238 10 0 ADAERN O=C1C[C@]2(CCCC[C@@H]2CCO)CN1 215168399 573344319 /nfs/dbraw/zinc/34/43/19/573344319.db2.gz BVGJEYCKDOJYAA-MWLCHTKSSA-N 0 0 197.278 1.065 10 0 ADAERN CO[C@@H]1CC[C@H]2CCC(=O)[C@@]21C 238362588 573344347 /nfs/dbraw/zinc/34/43/47/573344347.db2.gz XWPXVFCWDIFOKL-SZEHBUNVSA-N 0 0 168.236 1.781 10 0 ADAERN CNN1[C@H](C)CCC[C@H]1C 78097184 573344359 /nfs/dbraw/zinc/34/43/59/573344359.db2.gz HEGQBHMCUGVFEK-HTQZYQBOSA-N 0 0 142.246 1.384 10 0 ADAERN OCCc1cnc([C@H]2CCCCO2)o1 258287831 573344369 /nfs/dbraw/zinc/34/43/69/573344369.db2.gz YVDXOIHBMMNRCT-SECBINFHSA-N 0 0 197.234 1.451 10 0 ADAERN O=Cc1cnoc1C1CC1 107115334 573344385 /nfs/dbraw/zinc/34/43/85/573344385.db2.gz KDGRICQHVUMSFQ-UHFFFAOYSA-N 0 0 137.138 1.365 10 0 ADAERN C[C@H](C[NH2+]C[C@@H](C)C(=O)[O-])C1CC1 132818883 573344412 /nfs/dbraw/zinc/34/44/12/573344412.db2.gz WNAQOLJEIQPDFD-HTQZYQBOSA-N 0 0 185.267 1.343 10 0 ADAERN CO[C@H]1CCn2ccc(C=O)c21 238357705 573344428 /nfs/dbraw/zinc/34/44/28/573344428.db2.gz FLWMWFISCTULPY-QMMMGPOBSA-N 0 0 165.192 1.392 10 0 ADAERN CCCN[C@@H](C(=O)OC)C1CCCC1 50272629 573344439 /nfs/dbraw/zinc/34/44/39/573344439.db2.gz IXEXEUGSZXPUBQ-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN Clc1ncc([C@H]2CCOC2)o1 258491698 573344443 /nfs/dbraw/zinc/34/44/43/573344443.db2.gz JIFXOFGWUZYHOI-YFKPBYRVSA-N 0 0 173.599 1.832 10 0 ADAERN CC(C)=C[C@H](O)C(=O)C1CC1 143691531 573344447 /nfs/dbraw/zinc/34/44/47/573344447.db2.gz QQXZGXHGSDRIHZ-QMMMGPOBSA-N 0 0 154.209 1.293 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)OC(C)(C)C 124152470 573344461 /nfs/dbraw/zinc/34/44/61/573344461.db2.gz FPPQJVTUFKOQGH-HTQZYQBOSA-N 0 0 186.251 1.753 10 0 ADAERN CCCCC(=O)N(C)[C@@H](C)COC 308354001 573344463 /nfs/dbraw/zinc/34/44/63/573344463.db2.gz KAOMYGZACZQXJI-VIFPVBQESA-N 0 0 187.283 1.670 10 0 ADAERN COC(=O)C/C=C\C[C@H]1CCCO1 258306203 573344465 /nfs/dbraw/zinc/34/44/65/573344465.db2.gz VDEIMRXEYVDTLB-XADBCAIWSA-N 0 0 184.235 1.675 10 0 ADAERN CC(=O)CCCCn1occc1=O 308353802 573344473 /nfs/dbraw/zinc/34/44/73/573344473.db2.gz ZVNHNCNBPSUCMV-UHFFFAOYSA-N 0 0 183.207 1.201 10 0 ADAERN CCOc1cccc(N(C)OC)c1N 129591353 573344474 /nfs/dbraw/zinc/34/44/74/573344474.db2.gz MNCCMRCFUHKUBN-UHFFFAOYSA-N 0 0 196.250 1.665 10 0 ADAERN COc1cc(CO)c2c(c1)C(=O)CC2 238357147 573345183 /nfs/dbraw/zinc/34/51/83/573345183.db2.gz VIRSQFVZZYCJHK-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN CO[C@H]1CCc2ccc(CO)cc21 238357652 573345072 /nfs/dbraw/zinc/34/50/72/573345072.db2.gz ZMLWBPQEFWGCNR-NSHDSACASA-N 0 0 178.231 1.813 10 0 ADAERN C[C@H]1CNc2cccc(CCO)c21 258288556 573345079 /nfs/dbraw/zinc/34/50/79/573345079.db2.gz ZZSXPFWCNBHDIV-QMMMGPOBSA-N 0 0 177.247 1.750 10 0 ADAERN COc1cccc2c1[C@@H](CO)CC2 238362672 573345080 /nfs/dbraw/zinc/34/50/80/573345080.db2.gz PQPJWFNNWVAOBG-SECBINFHSA-N 0 0 178.231 1.717 10 0 ADAERN CCCCc1nnc([C@H](C)N)o1 50284261 573345083 /nfs/dbraw/zinc/34/50/83/573345083.db2.gz QKGAEQNMGFNXMO-LURJTMIESA-N 0 0 169.228 1.432 10 0 ADAERN Cc1cccc2c1C[C@H](CON)N2 258307559 573345175 /nfs/dbraw/zinc/34/51/75/573345175.db2.gz VNCFELWGMUUBSQ-MRVPVSSYSA-N 0 0 178.235 1.222 10 0 ADAERN CCOC[C@@H]1C[NH2+][C@H](C2CCC2)CO1 717617219 573345173 /nfs/dbraw/zinc/34/51/73/573345173.db2.gz YZQFDYVZDATSPT-QWRGUYRKSA-N 0 0 199.294 1.180 10 0 ADAERN CCc1c(C)coc1C=O 107115406 573345185 /nfs/dbraw/zinc/34/51/85/573345185.db2.gz PUCSEDCSWFCEQV-UHFFFAOYSA-N 0 0 138.166 1.963 10 0 ADAERN COc1c(C)cc(C(F)F)nc1N 238357348 573345190 /nfs/dbraw/zinc/34/51/90/573345190.db2.gz SIZOWPQURMXQKK-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CN1CCOc2cc(N)sc21 107100947 573345191 /nfs/dbraw/zinc/34/51/91/573345191.db2.gz NCSSEPLMXCBLAB-UHFFFAOYSA-N 0 0 170.237 1.159 10 0 ADAERN CCCN[C@H](C(=O)OC)C1CCCC1 50272628 573345197 /nfs/dbraw/zinc/34/51/97/573345197.db2.gz IXEXEUGSZXPUBQ-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN CC(=O)[C@@H](C)CF 107114251 573345206 /nfs/dbraw/zinc/34/52/06/573345206.db2.gz IIWWXONWYBIHFH-BYPYZUCNSA-N 0 0 104.124 1.181 10 0 ADAERN CN[C@@H](c1cccc(C)c1)N(C)C 259423930 573345272 /nfs/dbraw/zinc/34/52/72/573345272.db2.gz IDDXZDKFGDZMOM-LLVKDONJSA-N 0 0 178.279 1.775 10 0 ADAERN CCCOCC(=O)c1ccncc1C 132800788 573345226 /nfs/dbraw/zinc/34/52/26/573345226.db2.gz TWXIYAWIDZVREF-UHFFFAOYSA-N 0 0 193.246 1.999 10 0 ADAERN C[C@H](CO)c1cccc2ncoc12 258005827 573345240 /nfs/dbraw/zinc/34/52/40/573345240.db2.gz MJMMVNHLQBELNS-SSDOTTSWSA-N 0 0 177.203 1.924 10 0 ADAERN CCC[N@@H+]1CCC(C)(C)[C@@H](C(=O)[O-])C1 259423020 573345256 /nfs/dbraw/zinc/34/52/56/573345256.db2.gz ZOGCTTRUSHUDHS-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1C1CCC1 86270102 573345258 /nfs/dbraw/zinc/34/52/58/573345258.db2.gz LNIFWTCPPVWBNK-CBAPKCEASA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H](O)CCC[C@H]1CCCCNC1=O 308557350 573345301 /nfs/dbraw/zinc/34/53/01/573345301.db2.gz BWDAZZKYOOYUSJ-NXEZZACHSA-N 0 0 199.294 1.454 10 0 ADAERN CC[C@@](C)(O)Cn1cc(C(C)=O)cn1 308556600 573345310 /nfs/dbraw/zinc/34/53/10/573345310.db2.gz SSAGWRBSPMQNDE-SNVBAGLBSA-N 0 0 196.250 1.247 10 0 ADAERN C[C@@H]1SCC[C@@]1(C)O 107115112 573345319 /nfs/dbraw/zinc/34/53/19/573345319.db2.gz QBRZEWFGVAAFPI-NTSWFWBYSA-N 0 0 132.228 1.263 10 0 ADAERN CCN[C@@H](C(=O)OC)C1CCCC1 50272621 573345324 /nfs/dbraw/zinc/34/53/24/573345324.db2.gz XMKGCGCGQZDZFF-SECBINFHSA-N 0 0 185.267 1.328 10 0 ADAERN CCCc1c(N)ncnc1NCCF 308557494 573345338 /nfs/dbraw/zinc/34/53/38/573345338.db2.gz TZKCSHUIOITPQL-UHFFFAOYSA-N 0 0 198.245 1.393 10 0 ADAERN CON(CC(C)C)C(=O)n1ccnc1 308556492 573345365 /nfs/dbraw/zinc/34/53/65/573345365.db2.gz SNVJMJZKPTWUBC-UHFFFAOYSA-N 0 0 197.238 1.371 10 0 ADAERN COC(=O)[C@H](N)C/C=C/C=C\C(C)C 308357981 573345443 /nfs/dbraw/zinc/34/54/43/573345443.db2.gz DQVAQBYCINUMBC-XCXMJLNFSA-N 0 0 197.278 1.645 10 0 ADAERN CCCCc1nnc([C@@H](C)N)o1 50284260 573345463 /nfs/dbraw/zinc/34/54/63/573345463.db2.gz QKGAEQNMGFNXMO-ZCFIWIBFSA-N 0 0 169.228 1.432 10 0 ADAERN CC(=O)[C@@H](F)[C@@H]1CCCCO1 258492603 573345471 /nfs/dbraw/zinc/34/54/71/573345471.db2.gz KEKWTGYVWQMXNX-JGVFFNPUSA-N 0 0 160.188 1.483 10 0 ADAERN Cc1coc([C@@H](O)[C@H](O)C(C)C)c1 715775603 573345474 /nfs/dbraw/zinc/34/54/74/573345474.db2.gz BXRSMPQGGJJKEA-NXEZZACHSA-N 0 0 184.235 1.638 10 0 ADAERN CCC(=O)CCF 107114249 573345479 /nfs/dbraw/zinc/34/54/79/573345479.db2.gz OYRMHTPYKXUKCS-UHFFFAOYSA-N 0 0 104.124 1.325 10 0 ADAERN CCC[C@@H](C1CC1)[C@@H]1CC(=O)NC1=O 308557859 573345509 /nfs/dbraw/zinc/34/55/09/573345509.db2.gz UGOYJKOBFLFTKW-IUCAKERBSA-N 0 0 195.262 1.475 10 0 ADAERN CO[C@@H]1C(=O)C[C@@H]1OCC(C)C 132740347 573345584 /nfs/dbraw/zinc/34/55/84/573345584.db2.gz WMMCXBHVGPGSBD-DTWKUNHWSA-N 0 0 172.224 1.015 10 0 ADAERN O=C([O-])[C@@H]([NH2+]CC1CC1)C1CCCC1 50272786 573345597 /nfs/dbraw/zinc/34/55/97/573345597.db2.gz ONTKOKOIWDTHNQ-JTQLQIEISA-N 0 0 197.278 1.629 10 0 ADAERN C[C@H](C1CC1)[C@@H](NN)C(C)(C)C 132760618 573345601 /nfs/dbraw/zinc/34/56/01/573345601.db2.gz ICPBMHMFXBAPJL-VXNVDRBHSA-N 0 0 170.300 1.911 10 0 ADAERN CCC[C@@H](OC)[C@@H](O)C(C)C 132824006 573345617 /nfs/dbraw/zinc/34/56/17/573345617.db2.gz MSQYJIXPVIEDRD-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN Nc1ccoc1-c1cc[nH]c1 107107185 573345620 /nfs/dbraw/zinc/34/56/20/573345620.db2.gz MITKWCKCGWTDJD-UHFFFAOYSA-N 0 0 148.165 1.857 10 0 ADAERN C[C@@H](O)[C@H]1Cc2c(F)cccc2N1 258307700 573345626 /nfs/dbraw/zinc/34/56/26/573345626.db2.gz VOMUQXPEJSAOTC-LHLIQPBNSA-N 0 0 181.210 1.543 10 0 ADAERN COc1c(C)c(C)cc(C)c1NN 259423080 573345629 /nfs/dbraw/zinc/34/56/29/573345629.db2.gz YLSROLWYVAAWEQ-UHFFFAOYSA-N 0 0 180.251 1.906 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]12NC(=O)N=C2N 235569163 573345654 /nfs/dbraw/zinc/34/56/54/573345654.db2.gz ITABXIWMWKZLAH-QUBYGPBYSA-N 0 0 195.266 1.262 10 0 ADAERN CCCN(OC)c1ncc(N)cc1C 308557156 573345678 /nfs/dbraw/zinc/34/56/78/573345678.db2.gz TUUVVRQSPUBDJQ-UHFFFAOYSA-N 0 0 195.266 1.750 10 0 ADAERN C/C=C\COC(=O)c1ccncc1N 308557647 573345697 /nfs/dbraw/zinc/34/56/97/573345697.db2.gz CDKPEZTZBLILFA-IHWYPQMZSA-N 0 0 192.218 1.397 10 0 ADAERN CC[C@@H]1CC[C@@H](C)N1/C=C\C(=O)OC 308358582 573345764 /nfs/dbraw/zinc/34/57/64/573345764.db2.gz RRFWQYNQDMJTCQ-BUMYOJGDSA-N 0 0 197.278 1.936 10 0 ADAERN Cc1coc([C@H](O)[C@H](O)C(C)C)c1 715775608 573345777 /nfs/dbraw/zinc/34/57/77/573345777.db2.gz BXRSMPQGGJJKEA-ZJUUUORDSA-N 0 0 184.235 1.638 10 0 ADAERN CO[C@@H]1CCc2nc(C)c(C)nc2N1 238363006 573345792 /nfs/dbraw/zinc/34/57/92/573345792.db2.gz MVCIHBPASKZBKM-SECBINFHSA-N 0 0 193.250 1.424 10 0 ADAERN COc1c(C)ccc2c1CNC2=O 238363121 573345805 /nfs/dbraw/zinc/34/58/05/573345805.db2.gz AWDKDCOCBIKVNY-UHFFFAOYSA-N 0 0 177.203 1.247 10 0 ADAERN COc1cc(F)c2c(c1)C(=O)CCN2 238363369 573345824 /nfs/dbraw/zinc/34/58/24/573345824.db2.gz ABSUDGXYZUFWQB-UHFFFAOYSA-N 0 0 195.193 1.833 10 0 ADAERN COC(=O)c1nccc2oc(C)nc12 238363029 573345832 /nfs/dbraw/zinc/34/58/32/573345832.db2.gz YDCKMVHGGKQHJO-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN C/C=C/[C@@H](O)c1cnc(SC)nc1 238362974 573345843 /nfs/dbraw/zinc/34/58/43/573345843.db2.gz XXTAPYUXZHLNTF-MPJRPATESA-N 0 0 196.275 1.808 10 0 ADAERN CC/C=C\C(=O)N(C)C[C@H](C)CO 308359350 573346857 /nfs/dbraw/zinc/34/68/57/573346857.db2.gz LRLABRZWHXKSMX-UDIARPCQSA-N 0 0 185.267 1.039 10 0 ADAERN CNN1[C@@H](C)CCC[C@H]1C 78097181 573346822 /nfs/dbraw/zinc/34/68/22/573346822.db2.gz HEGQBHMCUGVFEK-OCAPTIKFSA-N 0 0 142.246 1.384 10 0 ADAERN CSc1[nH]nc(N)c1C 107116077 573349532 /nfs/dbraw/zinc/34/95/32/573349532.db2.gz AGMKRFOVOXIJDS-UHFFFAOYSA-N 0 0 143.215 1.022 10 0 ADAERN CN(CC(C)(C)O)c1cccc(N)c1 86273694 573346834 /nfs/dbraw/zinc/34/68/34/573346834.db2.gz BJBAJAQFHXWGOQ-UHFFFAOYSA-N 0 0 194.278 1.476 10 0 ADAERN Fc1cccc2c1NC[C@@]21CCOC1 236181851 573346408 /nfs/dbraw/zinc/34/64/08/573346408.db2.gz QPEPZZJSOMLAIX-LLVKDONJSA-N 0 0 193.221 1.909 10 0 ADAERN COC1(OC)[C@@H](C(C)=O)C1(C)C 238363140 573346425 /nfs/dbraw/zinc/34/64/25/573346425.db2.gz JCABMMHZOJXPCD-ZETCQYMHSA-N 0 0 172.224 1.221 10 0 ADAERN CC/C=C/C(=O)N(C)C[C@H](C)OC 308361046 573346429 /nfs/dbraw/zinc/34/64/29/573346429.db2.gz MFUJEWGSLLHJBH-UCUJLANTSA-N 0 0 185.267 1.446 10 0 ADAERN N[C@@H](CF)c1cscn1 107116771 573352582 /nfs/dbraw/zinc/35/25/82/573352582.db2.gz BKVYXKYJBFZDOS-BYPYZUCNSA-N 0 0 146.190 1.112 10 0 ADAERN CO[C@@H]1CCc2c(O)cccc2C1 238362895 573346460 /nfs/dbraw/zinc/34/64/60/573346460.db2.gz RSQNIVUDZBYGFL-SECBINFHSA-N 0 0 178.231 1.896 10 0 ADAERN CC[C@H](O)C[C@@H](C)OC(C)=O 114652276 573356014 /nfs/dbraw/zinc/35/60/14/573356014.db2.gz ZEILXIIQODOUME-SVRRBLITSA-N 0 0 160.213 1.099 10 0 ADAERN CCc1ccc(OC)cc1CO 143679332 573346482 /nfs/dbraw/zinc/34/64/82/573346482.db2.gz DJDGONLQRYDVGS-UHFFFAOYSA-N 0 0 166.220 1.750 10 0 ADAERN C[C@H](O)CCC[C@@H]1CCCCNC1=O 308557352 573346490 /nfs/dbraw/zinc/34/64/90/573346490.db2.gz BWDAZZKYOOYUSJ-UWVGGRQHSA-N 0 0 199.294 1.454 10 0 ADAERN Oc1ccc(CN2CC[C@H](F)C2)nc1 689845574 573346510 /nfs/dbraw/zinc/34/65/10/573346510.db2.gz DCXKFRUMPNTUOO-QMMMGPOBSA-N 0 0 196.225 1.331 10 0 ADAERN Cc1ccc2c(c1)C[C@@](C)(CO)N2 258307723 573346523 /nfs/dbraw/zinc/34/65/23/573346523.db2.gz VOQHIOOCNXRSAG-NSHDSACASA-N 0 0 177.247 1.714 10 0 ADAERN C[C@@H](CO)C(C)(C)F 107114563 573346533 /nfs/dbraw/zinc/34/65/33/573346533.db2.gz HKJILKSFIMKZOA-YFKPBYRVSA-N 0 0 120.167 1.363 10 0 ADAERN NOCc1c[nH]c2ccc(F)cc12 258287713 573346536 /nfs/dbraw/zinc/34/65/36/573346536.db2.gz UGZWXLJNVSEQSO-UHFFFAOYSA-N 0 0 180.182 1.697 10 0 ADAERN Oc1ccc(CN2CC[C@@H](F)C2)nc1 689845571 573346537 /nfs/dbraw/zinc/34/65/37/573346537.db2.gz DCXKFRUMPNTUOO-MRVPVSSYSA-N 0 0 196.225 1.331 10 0 ADAERN CCCOc1ccc(CO)c(O)c1 50273181 573346543 /nfs/dbraw/zinc/34/65/43/573346543.db2.gz LUYCEJYMSFDGTD-UHFFFAOYSA-N 0 0 182.219 1.673 10 0 ADAERN O=C(OCCCF)[C@@H]1CCC[C@H]1O 308360832 573346585 /nfs/dbraw/zinc/34/65/85/573346585.db2.gz DKXHCJXYESSMJE-HTQZYQBOSA-N 0 0 190.214 1.050 10 0 ADAERN CCOC(=O)[C@@H](NC)C1CCCC1 50272627 573346612 /nfs/dbraw/zinc/34/66/12/573346612.db2.gz OBKWCCDMAXQXTR-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN COc1cc(F)c2c(c1)CNC2=O 238363186 573346629 /nfs/dbraw/zinc/34/66/29/573346629.db2.gz VVRPOMWZCXZHEM-UHFFFAOYSA-N 0 0 181.166 1.078 10 0 ADAERN CC(C)(C)[C@@H](O)Cn1ccc(CO)c1 308558123 573346657 /nfs/dbraw/zinc/34/66/57/573346657.db2.gz UKRQQTYINULBKI-JTQLQIEISA-N 0 0 197.278 1.387 10 0 ADAERN COc1cccc(C(C)(C)O)c1N 238363408 573346675 /nfs/dbraw/zinc/34/66/75/573346675.db2.gz WMKRZWPSYQNMAK-UHFFFAOYSA-N 0 0 181.235 1.505 10 0 ADAERN COC(=O)c1cc(F)cc2cncn12 238363413 573346686 /nfs/dbraw/zinc/34/66/86/573346686.db2.gz ASDYYXDKOGJOLM-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN C[C@H](CO)c1cnc([C@H]2CCOC2)o1 258287975 573346687 /nfs/dbraw/zinc/34/66/87/573346687.db2.gz YWPDBIRWVMMZHS-SFYZADRCSA-N 0 0 197.234 1.274 10 0 ADAERN C[C@@H](O)CCC[C@@H]1CCCCNC1=O 308557356 573346709 /nfs/dbraw/zinc/34/67/09/573346709.db2.gz BWDAZZKYOOYUSJ-ZJUUUORDSA-N 0 0 199.294 1.454 10 0 ADAERN CN(CC(C)(C)O)c1ccccc1N 86273681 573346714 /nfs/dbraw/zinc/34/67/14/573346714.db2.gz VXFIPQMPOFFEBH-UHFFFAOYSA-N 0 0 194.278 1.476 10 0 ADAERN OC[C@H]1Oc2ccc(Cl)cc2O1 258308766 573346716 /nfs/dbraw/zinc/34/67/16/573346716.db2.gz SXZFBWAPQKKLLR-QMMMGPOBSA-N 0 0 186.594 1.430 10 0 ADAERN O=C(OCCCF)[C@H]1CCC[C@H]1O 308360834 573346721 /nfs/dbraw/zinc/34/67/21/573346721.db2.gz DKXHCJXYESSMJE-JGVFFNPUSA-N 0 0 190.214 1.050 10 0 ADAERN C[N@@H+]1CCC(F)(F)[C@@](C)(C(=O)[O-])C1 214712058 573346870 /nfs/dbraw/zinc/34/68/70/573346870.db2.gz DJDZBWBNHBPBDM-SSDOTTSWSA-N 0 0 193.193 1.048 10 0 ADAERN COC(=O)c1nccc2oc(C)cc12 238363011 573346736 /nfs/dbraw/zinc/34/67/36/573346736.db2.gz QNKAIAVDXAOMSX-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN O=C([O-])[C@H]([NH2+]C1CC1)C1CCCC1 50272615 573346872 /nfs/dbraw/zinc/34/68/72/573346872.db2.gz AIUFABCDDANZPG-SECBINFHSA-N 0 0 183.251 1.382 10 0 ADAERN COC(=O)C(C)(C)N[C@@H]1C[C@H](C)[C@@H]1C 308557659 573346754 /nfs/dbraw/zinc/34/67/54/573346754.db2.gz CDORJKFWMSLEBD-XHNCKOQMSA-N 0 0 199.294 1.572 10 0 ADAERN CC(C)CCc1nnc([C@@H](C)N)o1 50284308 573346761 /nfs/dbraw/zinc/34/67/61/573346761.db2.gz OCTXOBSXDFPQJL-SSDOTTSWSA-N 0 0 183.255 1.678 10 0 ADAERN CC(C)c1ncoc1C=O 107115475 573346766 /nfs/dbraw/zinc/34/67/66/573346766.db2.gz FHOQTWXVRLYWNR-UHFFFAOYSA-N 0 0 139.154 1.611 10 0 ADAERN CCCCCn1cnc(C(N)=O)c1 308358160 573346791 /nfs/dbraw/zinc/34/67/91/573346791.db2.gz LGOZISMHUIHSBI-UHFFFAOYSA-N 0 0 181.239 1.172 10 0 ADAERN COc1cc(C)c(C(C)=O)cn1 238363334 573346792 /nfs/dbraw/zinc/34/67/92/573346792.db2.gz AKXDWGOTBIOTDL-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN COc1c(C)ccc2c1C(=O)O[C@@H]2O 238363218 573346799 /nfs/dbraw/zinc/34/67/99/573346799.db2.gz UJYQYCCVJUIPNT-VIFPVBQESA-N 0 0 194.186 1.165 10 0 ADAERN C[C@@H](O)[C@H](F)CC1CCC1 258635217 573349041 /nfs/dbraw/zinc/34/90/41/573349041.db2.gz YFSXHJLUZSZJNP-HTRCEHHLSA-N 0 0 146.205 1.896 10 0 ADAERN C[C@H](O)CCNc1ccccc1N 82991241 573349044 /nfs/dbraw/zinc/34/90/44/573349044.db2.gz BZXRVQOOBCCSOC-QMMMGPOBSA-N 0 0 180.251 1.452 10 0 ADAERN C/C=C\C[NH+]1CCC(CC(=O)[O-])CC1 211966553 573349045 /nfs/dbraw/zinc/34/90/45/573349045.db2.gz ROMOKPDVQIQONE-IHWYPQMZSA-N 0 0 197.278 1.749 10 0 ADAERN C[C@@H](O)[C@@H](F)CC1CCC1 258635236 573349046 /nfs/dbraw/zinc/34/90/46/573349046.db2.gz YFSXHJLUZSZJNP-SVRRBLITSA-N 0 0 146.205 1.896 10 0 ADAERN C[C@H]([NH2+]C1CC=CC1)[C@H](C)C(=O)[O-] 132926122 573349082 /nfs/dbraw/zinc/34/90/82/573349082.db2.gz PDWBEOHAXIGVNG-YUMQZZPRSA-N 0 0 183.251 1.404 10 0 ADAERN C[C@@H](O)CCNc1cc[nH+]cc1 82997664 573349091 /nfs/dbraw/zinc/34/90/91/573349091.db2.gz JMYRSADEIYFPIL-MRVPVSSYSA-N 0 0 166.224 1.264 10 0 ADAERN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1C1CCC1 86270101 573349373 /nfs/dbraw/zinc/34/93/73/573349373.db2.gz LNIFWTCPPVWBNK-APPZFPTMSA-N 0 0 183.251 1.334 10 0 ADAERN CN[C@H](CF)c1ccco1 107116033 573349374 /nfs/dbraw/zinc/34/93/74/573349374.db2.gz VGIUFSYSXGIBON-ZCFIWIBFSA-N 0 0 143.161 1.510 10 0 ADAERN CCOC(=O)[C@H](CC)NC1CC=CC1 132900744 573349109 /nfs/dbraw/zinc/34/91/09/573349109.db2.gz KNQGSIUYCJSSTB-JTQLQIEISA-N 0 0 197.278 1.636 10 0 ADAERN C[C@@H](C1CC1)[N@@H+]1CCC[C@H]1C(=O)[O-] 238365786 573349113 /nfs/dbraw/zinc/34/91/13/573349113.db2.gz OZNCPMKQFOYKCL-CBAPKCEASA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H]1[NH2+]CCCN(CC(C)(C)C)C1=O 258292535 573349778 /nfs/dbraw/zinc/34/97/78/573349778.db2.gz VVNVLBZOIFSPOG-SECBINFHSA-N 0 0 198.310 1.243 10 0 ADAERN O=C1C[C@H]2CCCCC[C@@H]2N1 107117617 573349856 /nfs/dbraw/zinc/34/98/56/573349856.db2.gz GPXOEMQOHPLXTK-SFYZADRCSA-N 0 0 153.225 1.455 10 0 ADAERN COc1ccc2[nH]cc(CO)c2c1C 238364805 573349388 /nfs/dbraw/zinc/34/93/88/573349388.db2.gz PMIHVMBCDNLKMD-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN Cc1cc(-c2c[nH]nc2N)ccn1 117543557 573349403 /nfs/dbraw/zinc/34/94/03/573349403.db2.gz FJZMPIHEKLPXJX-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Clc1ccc2cncn2n1 107117653 573349516 /nfs/dbraw/zinc/34/95/16/573349516.db2.gz PZOZWTUEERUGCQ-UHFFFAOYSA-N 0 0 153.572 1.383 10 0 ADAERN CNC(=S)Nc1cccc(N)c1C 238365114 573348695 /nfs/dbraw/zinc/34/86/95/573348695.db2.gz URSPCRFUQKXWGS-UHFFFAOYSA-N 0 0 195.291 1.493 10 0 ADAERN CCn1cnc(C(=O)[C@@H](O)C(C)C)c1 308556131 573348711 /nfs/dbraw/zinc/34/87/11/573348711.db2.gz SIWHWPZJTGNHDA-VIFPVBQESA-N 0 0 196.250 1.103 10 0 ADAERN O=C(/C=C\C1CCC1)NCC1CC1 308358255 573348739 /nfs/dbraw/zinc/34/87/39/573348739.db2.gz BORQTZDSFCBIRG-SREVYHEPSA-N 0 0 179.263 1.869 10 0 ADAERN CC(=O)CCc1ccc(N(C)C)nc1 308557141 573348744 /nfs/dbraw/zinc/34/87/44/573348744.db2.gz TUHMLMBUXIDFKK-UHFFFAOYSA-N 0 0 192.262 1.669 10 0 ADAERN COC12CCC(CC1)C[C@H]2[C@H](C)O 238365259 573348750 /nfs/dbraw/zinc/34/87/50/573348750.db2.gz IEDXMXFKMMARNU-XEAZBWPWSA-N 0 0 184.279 1.963 10 0 ADAERN CC(C)(C)[C@H](O)Cn1ccc(CO)c1 308558124 573348757 /nfs/dbraw/zinc/34/87/57/573348757.db2.gz UKRQQTYINULBKI-SNVBAGLBSA-N 0 0 197.278 1.387 10 0 ADAERN COc1c(C)ccc2nncn12 238364998 573348788 /nfs/dbraw/zinc/34/87/88/573348788.db2.gz XQWLGEBPEOOMHH-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN O=C1C[C@H]2CCCCC[C@H]2N1 107117612 573348799 /nfs/dbraw/zinc/34/87/99/573348799.db2.gz GPXOEMQOHPLXTK-HTQZYQBOSA-N 0 0 153.225 1.455 10 0 ADAERN C/C=C\CN[C@H](C(=O)OC)C(C)(C)C 308556713 573348813 /nfs/dbraw/zinc/34/88/13/573348813.db2.gz ZSQNHCFMWVANHD-ATJFRQLMSA-N 0 0 199.294 1.740 10 0 ADAERN O[C@H](c1ccccc1)c1c[nH]cn1 117489530 573348821 /nfs/dbraw/zinc/34/88/21/573348821.db2.gz LLMALNLCFQLWHG-SNVBAGLBSA-N 0 0 174.203 1.491 10 0 ADAERN CCC1(NC(C)=O)CCC(CO)CC1 215168649 573348837 /nfs/dbraw/zinc/34/88/37/573348837.db2.gz JBQPXGYVTTYMDB-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](C2CCC2)CC[NH2+]1 258636013 573348856 /nfs/dbraw/zinc/34/88/56/573348856.db2.gz VRYUNFODOXCNER-IUCAKERBSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1ccc(NCC[C@@H](C)O)c(N)c1 82991348 573348859 /nfs/dbraw/zinc/34/88/59/573348859.db2.gz FQWBBEBVVMJHRM-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)(C)OC[C@@H](NN)C(C)(C)C 132831722 573348863 /nfs/dbraw/zinc/34/88/63/573348863.db2.gz CLYVUCKOKQKKLE-MRVPVSSYSA-N 0 0 188.315 1.680 10 0 ADAERN OCC[C@@H]1CCSC[C@@H]1F 258635182 573348908 /nfs/dbraw/zinc/34/89/08/573348908.db2.gz YFPJBTVSBTVEIQ-RQJHMYQMSA-N 0 0 164.245 1.460 10 0 ADAERN COc1cc(C)c(C=O)c(O)c1F 238366017 573348915 /nfs/dbraw/zinc/34/89/15/573348915.db2.gz BHEHZNWXRWSMGP-UHFFFAOYSA-N 0 0 184.166 1.661 10 0 ADAERN CC(C)C[C@H]1NCN(C2CCC2)C1=O 124168242 573348924 /nfs/dbraw/zinc/34/89/24/573348924.db2.gz DFZPEPMPCBMFSX-SNVBAGLBSA-N 0 0 196.294 1.343 10 0 ADAERN COc1c(C)cccc1NN 238365596 573348942 /nfs/dbraw/zinc/34/89/42/573348942.db2.gz YNLMIXFSMXMKJW-UHFFFAOYSA-N 0 0 152.197 1.289 10 0 ADAERN CO[C@@H]1COc2cccc(C)c2C1=O 238365956 573348981 /nfs/dbraw/zinc/34/89/81/573348981.db2.gz IQIMDTUDTXHLHB-SECBINFHSA-N 0 0 192.214 1.585 10 0 ADAERN O[C@H]1CCC[C@]12CCC[C@H]2O 117490938 573348950 /nfs/dbraw/zinc/34/89/50/573348950.db2.gz ACIVJWAOSTYYEP-YIZRAAEISA-N 0 0 156.225 1.062 10 0 ADAERN COc1cccc2c1CC[C@H](CO)N2 238364906 573348951 /nfs/dbraw/zinc/34/89/51/573348951.db2.gz LRVJTTRVFMNJSX-MRVPVSSYSA-N 0 0 193.246 1.414 10 0 ADAERN COc1cc2c(C)n[nH]c2cc1N 259424016 573348961 /nfs/dbraw/zinc/34/89/61/573348961.db2.gz NFWDNGKKLADBAE-UHFFFAOYSA-N 0 0 177.207 1.462 10 0 ADAERN CC(C)C(=O)CN1CCCCCC1=O 86276797 573348962 /nfs/dbraw/zinc/34/89/62/573348962.db2.gz CBCTVKZZBVVDDY-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CO[C@H]1C[C@@](C)(Cl)CCO1 238365671 573349013 /nfs/dbraw/zinc/34/90/13/573349013.db2.gz YMKSXLTXQKYIGS-RQJHMYQMSA-N 0 0 164.632 1.767 10 0 ADAERN COc1cccc2c(C)c[nH]c2c1=O 238365069 573349018 /nfs/dbraw/zinc/34/90/18/573349018.db2.gz MNZWEBYJVVSMKZ-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN CCc1ccc([C@](O)(CC)CO)cc1 132888307 573349019 /nfs/dbraw/zinc/34/90/19/573349019.db2.gz ANQOAKWOTHKJFW-LBPRGKRZSA-N 0 0 194.274 1.839 10 0 ADAERN C[C@@H](C[NH2+]C1CC=CC1)C(=O)[O-] 132907925 573349026 /nfs/dbraw/zinc/34/90/26/573349026.db2.gz VIABHPHAKOBOEY-ZETCQYMHSA-N 0 0 169.224 1.015 10 0 ADAERN COc1nc(C(F)F)cc(F)c1N 238365935 573349033 /nfs/dbraw/zinc/34/90/33/573349033.db2.gz KKVDILGULKJPSE-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN NC(=O)c1cccc2c1C=CCO2 143696497 573349049 /nfs/dbraw/zinc/34/90/49/573349049.db2.gz BNTVVQQJBGDQNT-UHFFFAOYSA-N 0 0 175.187 1.191 10 0 ADAERN O=C(OCCCF)[C@@H]1CCC[C@@H]1O 308360836 573349053 /nfs/dbraw/zinc/34/90/53/573349053.db2.gz DKXHCJXYESSMJE-SFYZADRCSA-N 0 0 190.214 1.050 10 0 ADAERN Cc1cnc(OC(C)C)cn1 117525280 573349059 /nfs/dbraw/zinc/34/90/59/573349059.db2.gz FEQKZTANWGJFLE-UHFFFAOYSA-N 0 0 152.197 1.572 10 0 ADAERN CCCN(CC(F)F)C(=O)NOC 308359024 573349416 /nfs/dbraw/zinc/34/94/16/573349416.db2.gz LPOIUJZJJHFDQX-UHFFFAOYSA-N 0 0 196.197 1.235 10 0 ADAERN C[C@H](OC(=O)C1CC1)[C@@H]1CCOC1 308360855 573349421 /nfs/dbraw/zinc/34/94/21/573349421.db2.gz DLRYHOSAZZRDOD-IONNQARKSA-N 0 0 184.235 1.365 10 0 ADAERN Cc1c2cc(F)c(C=O)cc2nn1C 259609991 573349146 /nfs/dbraw/zinc/34/91/46/573349146.db2.gz ZYVICYQTDFYOTP-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN Cc1csc(NCC[C@H](C)O)n1 82997712 573349160 /nfs/dbraw/zinc/34/91/60/573349160.db2.gz LXJPNVZGOZVCIV-ZETCQYMHSA-N 0 0 186.280 1.634 10 0 ADAERN CC/C=C/C(=O)N(C)C[C@@H](C)OC 308361050 573349163 /nfs/dbraw/zinc/34/91/63/573349163.db2.gz MFUJEWGSLLHJBH-XCODYQFDSA-N 0 0 185.267 1.446 10 0 ADAERN Cc1csc(NCC[C@@H](C)O)n1 82997710 573349168 /nfs/dbraw/zinc/34/91/68/573349168.db2.gz LXJPNVZGOZVCIV-SSDOTTSWSA-N 0 0 186.280 1.634 10 0 ADAERN CCc1sncc1C=O 107115785 573349176 /nfs/dbraw/zinc/34/91/76/573349176.db2.gz SYUNPUUVGRGFGW-UHFFFAOYSA-N 0 0 141.195 1.518 10 0 ADAERN COc1ccc(C)c2nncn12 238366138 573349184 /nfs/dbraw/zinc/34/91/84/573349184.db2.gz YKKPKBDSSOBYAF-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN CC(=O)C[C@@H](C)n1cc(C(C)=O)cn1 308558804 573349425 /nfs/dbraw/zinc/34/94/25/573349425.db2.gz UTCVXTCMIJEHKA-SSDOTTSWSA-N 0 0 194.234 1.626 10 0 ADAERN CO[C@@H](C(N)=O)c1ccc(Cl)cc1 238365165 573349203 /nfs/dbraw/zinc/34/92/03/573349203.db2.gz OUOCNBRHMXNGGJ-MRVPVSSYSA-N 0 0 199.637 1.513 10 0 ADAERN Oc1ccccc1OCl 117564240 573349204 /nfs/dbraw/zinc/34/92/04/573349204.db2.gz KKVFPVZIZAJCBZ-UHFFFAOYSA-N 0 0 144.557 1.925 10 0 ADAERN CC(C)OC(=O)NC1(CO)CCC1 129604736 573349225 /nfs/dbraw/zinc/34/92/25/573349225.db2.gz XYYWCAGYPKOVFY-UHFFFAOYSA-N 0 0 187.239 1.036 10 0 ADAERN COC12CCC(CC1)[C@@H](O)C2 238365313 573349229 /nfs/dbraw/zinc/34/92/29/573349229.db2.gz RCXWWIPBAFLVCR-MGURRDGZSA-N 0 0 156.225 1.326 10 0 ADAERN CNC(=S)Nc1c(C)noc1C 238364781 573349243 /nfs/dbraw/zinc/34/92/43/573349243.db2.gz IAILEGZWTLDAIU-UHFFFAOYSA-N 0 0 185.252 1.208 10 0 ADAERN C=Cc1cnc(NC)c(F)c1 209788668 573349250 /nfs/dbraw/zinc/34/92/50/573349250.db2.gz OYIFHKNBJOMVBA-UHFFFAOYSA-N 0 0 152.172 1.905 10 0 ADAERN C[C@H](O)[C@@H](F)CC1CCC1 258635246 573349252 /nfs/dbraw/zinc/34/92/52/573349252.db2.gz YFSXHJLUZSZJNP-XPUUQOCRSA-N 0 0 146.205 1.896 10 0 ADAERN CC(C)Cc1ncc(O)cn1 107117334 573349262 /nfs/dbraw/zinc/34/92/62/573349262.db2.gz PDHTWMDYRSFMLX-UHFFFAOYSA-N 0 0 152.197 1.381 10 0 ADAERN COc1ccc(C)c2oc(=O)[nH]c12 238366163 573349315 /nfs/dbraw/zinc/34/93/15/573349315.db2.gz WZLZFKVEFFVJSY-UHFFFAOYSA-N 0 0 179.175 1.438 10 0 ADAERN C[C@@H]1CCC=C(Cl)[C@@H]1O 209174970 573349363 /nfs/dbraw/zinc/34/93/63/573349363.db2.gz RNIFOAXMZWTBAZ-IYSWYEEDSA-N 0 0 146.617 1.900 10 0 ADAERN O=Cc1cnsc1C1CC1 107117588 573350363 /nfs/dbraw/zinc/35/03/63/573350363.db2.gz HGAWRNCHLWCZPZ-UHFFFAOYSA-N 0 0 153.206 1.833 10 0 ADAERN COc1cc(C)c(C)c(N)c1OC 238364860 573349433 /nfs/dbraw/zinc/34/94/33/573349433.db2.gz VGCMMVHJXLRJGZ-UHFFFAOYSA-N 0 0 181.235 1.903 10 0 ADAERN Cc1sc(N)nc1[C@@H]1CCCO1 259610039 573349449 /nfs/dbraw/zinc/34/94/49/573349449.db2.gz DPRVQASKFTWEPM-LURJTMIESA-N 0 0 184.264 1.885 10 0 ADAERN O=C1C=C(O)C2(CCCC2)C1 107117328 573349451 /nfs/dbraw/zinc/34/94/51/573349451.db2.gz QCNASFVCUCLOHQ-UHFFFAOYSA-N 0 0 152.193 1.479 10 0 ADAERN COC12CCC(CC1)C[C@]2(C)CO 238365285 573349463 /nfs/dbraw/zinc/34/94/63/573349463.db2.gz VPLDRSSTPKDJET-HSOILSAZSA-N 0 0 184.279 1.964 10 0 ADAERN CCC[C@](O)(CO)c1ccccc1 132885127 573350367 /nfs/dbraw/zinc/35/03/67/573350367.db2.gz HFVAUPXHUXZIGQ-NSHDSACASA-N 0 0 180.247 1.667 10 0 ADAERN N[C@H](CF)c1cscn1 107116770 573349488 /nfs/dbraw/zinc/34/94/88/573349488.db2.gz BKVYXKYJBFZDOS-SCSAIBSYSA-N 0 0 146.190 1.112 10 0 ADAERN C[C@@H](O)CCNc1nccs1 82997536 573349489 /nfs/dbraw/zinc/34/94/89/573349489.db2.gz NUXCLVAZDQAYHV-ZCFIWIBFSA-N 0 0 172.253 1.326 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1F)OCO2 258006203 573349500 /nfs/dbraw/zinc/34/95/00/573349500.db2.gz GZVGPJLGZKSGGL-ZCFIWIBFSA-N 0 0 198.193 1.478 10 0 ADAERN Cc1c(N)cccc1NCC[C@@H](C)O 82991265 573349501 /nfs/dbraw/zinc/34/95/01/573349501.db2.gz ZSHWUZFXWCVLCH-MRVPVSSYSA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)C(=O)CN1C[C@H](C)O[C@@H](C)C1 86276296 573349526 /nfs/dbraw/zinc/34/95/26/573349526.db2.gz ZIOODXWJKYKEBI-UWVGGRQHSA-N 0 0 199.294 1.321 10 0 ADAERN Cc1cc(O)cc([C@H]2COCCN2)c1 214729720 573350369 /nfs/dbraw/zinc/35/03/69/573350369.db2.gz QGGKMRNFBOOMKB-LLVKDONJSA-N 0 0 193.246 1.362 10 0 ADAERN Cc1ccc(N(C)CC(C)(C)O)nc1 86274216 573350370 /nfs/dbraw/zinc/35/03/70/573350370.db2.gz YDXAHJMJIUXYKH-UHFFFAOYSA-N 0 0 194.278 1.597 10 0 ADAERN CCC(C)(C)C(=O)NC1(CO)CCC1 129597816 573349546 /nfs/dbraw/zinc/34/95/46/573349546.db2.gz YIBHTIYDEOPONT-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CC(C)N1C(=O)Cc2cccc(N)c21 258005868 573349560 /nfs/dbraw/zinc/34/95/60/573349560.db2.gz IREJHCIUTZWCPR-UHFFFAOYSA-N 0 0 190.246 1.566 10 0 ADAERN CC(C)C(=O)CN1C[C@H](C)OC[C@H]1C 86276340 573349561 /nfs/dbraw/zinc/34/95/61/573349561.db2.gz KAOOPNXLFSXCKQ-ZJUUUORDSA-N 0 0 199.294 1.321 10 0 ADAERN Cc1c(N)cccc1NCC[C@H](C)O 82991266 573349563 /nfs/dbraw/zinc/34/95/63/573349563.db2.gz ZSHWUZFXWCVLCH-QMMMGPOBSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1noc2c(O)cccc12 107116998 573349568 /nfs/dbraw/zinc/34/95/68/573349568.db2.gz KXSRGXFRBHJCFO-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN COc1ccc([C@@H]2CC[C@@H](O)O2)cc1 238365924 573349588 /nfs/dbraw/zinc/34/95/88/573349588.db2.gz VKEZXSVHKOUERP-QWRGUYRKSA-N 0 0 194.230 1.865 10 0 ADAERN CCC(CC)[C@H](C)NC(=O)[C@@H](C)O 308359022 573349599 /nfs/dbraw/zinc/34/95/99/573349599.db2.gz LPIJXPRVLIOGFA-JGVFFNPUSA-N 0 0 187.283 1.308 10 0 ADAERN COc1cc2c(cc1O)CCN=C2 117581374 573349628 /nfs/dbraw/zinc/34/96/28/573349628.db2.gz HJGMGFYESSOUMR-UHFFFAOYSA-N 0 0 177.203 1.376 10 0 in-vitro ADAERN CC(C)c1sncc1N 107115949 573349630 /nfs/dbraw/zinc/34/96/30/573349630.db2.gz YEVBJSPTUGOHFB-UHFFFAOYSA-N 0 0 142.227 1.849 10 0 ADAERN CON(CCO)CCCC(C)(C)C 308359003 573349634 /nfs/dbraw/zinc/34/96/34/573349634.db2.gz LOGUFQRHHGZPSW-UHFFFAOYSA-N 0 0 189.299 1.668 10 0 ADAERN Cc1cc(O)cc([C@@H]2COCCN2)c1 214729662 573349643 /nfs/dbraw/zinc/34/96/43/573349643.db2.gz QGGKMRNFBOOMKB-NSHDSACASA-N 0 0 193.246 1.362 10 0 ADAERN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1C1CCC1 86270100 573349644 /nfs/dbraw/zinc/34/96/44/573349644.db2.gz LNIFWTCPPVWBNK-IONNQARKSA-N 0 0 183.251 1.334 10 0 ADAERN CC(C)n1cncc1/C=C\CO 211945348 573349670 /nfs/dbraw/zinc/34/96/70/573349670.db2.gz YVNFXCOHFPYYRN-ARJAWSKDSA-N 0 0 166.224 1.470 10 0 ADAERN CO[C@H](C)CN(C)c1nc(C)co1 308359310 573349698 /nfs/dbraw/zinc/34/96/98/573349698.db2.gz LPSQFFSLAURVOQ-MRVPVSSYSA-N 0 0 184.239 1.454 10 0 ADAERN COc1cc(F)c2ncc(N)n2c1 238364726 573349699 /nfs/dbraw/zinc/34/96/99/573349699.db2.gz FNPGRMYLYRHNHX-UHFFFAOYSA-N 0 0 181.170 1.064 10 0 ADAERN CCc1cc(C=O)nc(C)n1 107117120 573350456 /nfs/dbraw/zinc/35/04/56/573350456.db2.gz RIRXWDCXNCKPDV-UHFFFAOYSA-N 0 0 150.181 1.160 10 0 ADAERN COc1c(C)cccc1[C@@](C)(O)CO 238366231 573349747 /nfs/dbraw/zinc/34/97/47/573349747.db2.gz BFUUSKWOMWOFIV-NSHDSACASA-N 0 0 196.246 1.203 10 0 ADAERN Cc1cccnc1N(C)CC(C)(C)O 86274196 573349748 /nfs/dbraw/zinc/34/97/48/573349748.db2.gz ZFRZWPUQHBFIIC-UHFFFAOYSA-N 0 0 194.278 1.597 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1ccnc(N)c1 235567948 573349756 /nfs/dbraw/zinc/34/97/56/573349756.db2.gz YDTCKNDYPNRJIE-NKWVEPMBSA-N 0 0 198.291 1.525 10 0 ADAERN Oc1cccc([C@@H]2CNOC2)c1 258635322 573349788 /nfs/dbraw/zinc/34/97/88/573349788.db2.gz YFXQFAJMOJQXCA-MRVPVSSYSA-N 0 0 165.192 1.011 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1F)OCO2 258006201 573349796 /nfs/dbraw/zinc/34/97/96/573349796.db2.gz GZVGPJLGZKSGGL-LURJTMIESA-N 0 0 198.193 1.478 10 0 ADAERN COc1c(C)cccc1NC(N)=S 238365554 573349799 /nfs/dbraw/zinc/34/97/99/573349799.db2.gz LPKISSCFQPZFKW-UHFFFAOYSA-N 0 0 196.275 1.659 10 0 ADAERN C[C@@H]([NH2+]C1CC=CC1)[C@@H](C)C(=O)[O-] 132925953 573349802 /nfs/dbraw/zinc/34/98/02/573349802.db2.gz PDWBEOHAXIGVNG-HTQZYQBOSA-N 0 0 183.251 1.404 10 0 ADAERN c1cnc2c(c1)SCCN2 107117402 573349804 /nfs/dbraw/zinc/34/98/04/573349804.db2.gz LUQLGJYXNTYILI-UHFFFAOYSA-N 0 0 152.222 1.599 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C 86270173 573349807 /nfs/dbraw/zinc/34/98/07/573349807.db2.gz OZCKVWQLOPSWNW-AEJSXWLSSA-N 0 0 199.294 1.826 10 0 ADAERN Cc1cnc2c(c1)CCC2=O 117512730 573349822 /nfs/dbraw/zinc/34/98/22/573349822.db2.gz VDTQDPLTAAQUMT-UHFFFAOYSA-N 0 0 147.177 1.519 10 0 ADAERN CNC(=S)OCc1cccc(C)n1 238365605 573349843 /nfs/dbraw/zinc/34/98/43/573349843.db2.gz ZCFVNCABPCKSGS-UHFFFAOYSA-N 0 0 196.275 1.411 10 0 ADAERN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(C)(C)C 86270212 573349858 /nfs/dbraw/zinc/34/98/58/573349858.db2.gz HUYJKMFIXBEYCK-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN CNC(=S)Nc1nc(C)ccc1O 238365277 573349859 /nfs/dbraw/zinc/34/98/59/573349859.db2.gz NKPQMDFLFIPUTJ-UHFFFAOYSA-N 0 0 197.263 1.012 10 0 ADAERN COc1c(F)cccc1CC1(O)CC1 258006161 573349864 /nfs/dbraw/zinc/34/98/64/573349864.db2.gz GXIWYFVANVOOLL-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN C=C1C(=O)Nc2cc(OC)ccc21 238365776 573349874 /nfs/dbraw/zinc/34/98/74/573349874.db2.gz QTZVNWHDJFLUNY-UHFFFAOYSA-N 0 0 175.187 1.661 10 0 ADAERN COc1ccc(C)c2c[nH]nc12 238365861 573349882 /nfs/dbraw/zinc/34/98/82/573349882.db2.gz HJODNJGMSVIOGH-UHFFFAOYSA-N 0 0 162.192 1.880 10 0 ADAERN Cc1csc(C[C@@H]2COC[C@@H]2O)n1 687979008 573349901 /nfs/dbraw/zinc/34/99/01/573349901.db2.gz FCHMUWCPUBBDJQ-SFYZADRCSA-N 0 0 199.275 1.001 10 0 ADAERN CC(C)(C)OC(=O)CNC1CC=CC1 132893975 573349939 /nfs/dbraw/zinc/34/99/39/573349939.db2.gz QNXQWCPJDOAMQP-UHFFFAOYSA-N 0 0 197.278 1.636 10 0 ADAERN COc1cc(F)n2c(N)cnc2c1 238365756 573349977 /nfs/dbraw/zinc/34/99/77/573349977.db2.gz SOFRVSPRSPATJS-UHFFFAOYSA-N 0 0 181.170 1.064 10 0 ADAERN OCC[C@@H]1CCSC[C@H]1F 258635172 573349981 /nfs/dbraw/zinc/34/99/81/573349981.db2.gz YFPJBTVSBTVEIQ-RNFRBKRXSA-N 0 0 164.245 1.460 10 0 ADAERN COCc1ccccc1N[C@@H](C)CO 308558825 573349986 /nfs/dbraw/zinc/34/99/86/573349986.db2.gz UUGVJUJBAZQWPW-VIFPVBQESA-N 0 0 195.262 1.626 10 0 ADAERN C[C@@H](O)c1cnnn1CCCC1CC1 406020080 573350018 /nfs/dbraw/zinc/35/00/18/573350018.db2.gz CNVBGGHZAHNJJW-MRVPVSSYSA-N 0 0 195.266 1.522 10 0 ADAERN CCc1ccc([C@@](O)(CC)CO)cc1 132888130 573350020 /nfs/dbraw/zinc/35/00/20/573350020.db2.gz ANQOAKWOTHKJFW-GFCCVEGCSA-N 0 0 194.274 1.839 10 0 ADAERN C[C@@H]1CCNc2c[nH]nc2N1 107117391 573350055 /nfs/dbraw/zinc/35/00/55/573350055.db2.gz ZGMWLGRWJHYZAB-RXMQYKEDSA-N 0 0 152.201 1.026 10 0 ADAERN CC[C@H](NN)[C@@H]1CCC[C@H](OC)C1 686357287 573350071 /nfs/dbraw/zinc/35/00/71/573350071.db2.gz CUBCNKQPIBZPCM-UTLUCORTSA-N 0 0 186.299 1.434 10 0 ADAERN COc1cccc2c1CC[C@@H](CO)N2 238365017 573350086 /nfs/dbraw/zinc/35/00/86/573350086.db2.gz LRVJTTRVFMNJSX-QMMMGPOBSA-N 0 0 193.246 1.414 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]12OC(N)=NC2=O 235569300 573350155 /nfs/dbraw/zinc/35/01/55/573350155.db2.gz BINHWJNAEFXECD-QUBYGPBYSA-N 0 0 196.250 1.053 10 0 ADAERN COC12CCC(C)(CC1)[C@@H](O)C2 238365014 573350158 /nfs/dbraw/zinc/35/01/58/573350158.db2.gz REIRGHWRHQNBTL-IDKOKCKLSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H](O)CCNc1ccc(F)cc1N 82991294 573350163 /nfs/dbraw/zinc/35/01/63/573350163.db2.gz YMQIMFBRIPIZLR-SSDOTTSWSA-N 0 0 198.241 1.591 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)c1ccccc1 238364821 573350176 /nfs/dbraw/zinc/35/01/76/573350176.db2.gz GKQUZIUHXXFWNE-UWVGGRQHSA-N 0 0 176.215 1.904 10 0 ADAERN Cc1cc(-c2c[nH]nc2N)cc(C)n1 117543645 573350178 /nfs/dbraw/zinc/35/01/78/573350178.db2.gz JKXDPBLDNVEWFS-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CCc1nc(NCCCF)cc(=O)[nH]1 308558412 573350188 /nfs/dbraw/zinc/35/01/88/573350188.db2.gz UPMJUNPINNJJNR-UHFFFAOYSA-N 0 0 199.229 1.516 10 0 ADAERN COC12CCC(CC1)C(C)(C)[C@@H]2O 238365080 573350190 /nfs/dbraw/zinc/35/01/90/573350190.db2.gz HCYHZPXBRZIVKZ-YUCVTWSNSA-N 0 0 184.279 1.963 10 0 ADAERN O=C([O-])[C@H]1C[C@H](C2CCC2)CC[NH2+]1 258636015 573350191 /nfs/dbraw/zinc/35/01/91/573350191.db2.gz VRYUNFODOXCNER-RKDXNWHRSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1ccc(/C=C(\[NH3+])C(=O)[O-])cc1C 308360721 573350199 /nfs/dbraw/zinc/35/01/99/573350199.db2.gz FAYZTWQBKKKGBR-POHAHGRESA-N 0 0 191.230 1.688 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])c1ccncc1)C(=O)[O-] 259423193 573350233 /nfs/dbraw/zinc/35/02/33/573350233.db2.gz PCAVLAKWVUIPNR-IONNQARKSA-N 0 0 194.234 1.192 10 0 ADAERN COc1ccc2[nH]cnc2c1N 238365477 573350276 /nfs/dbraw/zinc/35/02/76/573350276.db2.gz XLSWOKKCUBASKW-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN Cc1cc(N)c[nH+]c1NCC[C@@H](C)O 82991301 573350312 /nfs/dbraw/zinc/35/03/12/573350312.db2.gz CZVFRRNBBDTDKX-MRVPVSSYSA-N 0 0 195.266 1.155 10 0 ADAERN C=Cc1cncc(N(C)C)c1 209788173 573350324 /nfs/dbraw/zinc/35/03/24/573350324.db2.gz QHKCGQBFWOBTJM-UHFFFAOYSA-N 0 0 148.209 1.791 10 0 ADAERN CC(C)c1c[nH]c([C@H]2COCCN2)n1 86276580 573350328 /nfs/dbraw/zinc/35/03/28/573350328.db2.gz HIJNASYEZRWEJA-SECBINFHSA-N 0 0 195.266 1.194 10 0 ADAERN COc1cccc2occc2c1=O 238365094 573350329 /nfs/dbraw/zinc/35/03/29/573350329.db2.gz XLBPZHAKJAXAFI-UHFFFAOYSA-N 0 0 176.171 1.802 10 0 ADAERN COC1(/C=C/CO)CCCCC1 238364947 573350334 /nfs/dbraw/zinc/35/03/34/573350334.db2.gz LDDBOJNLGRRRNN-VMPITWQZSA-N 0 0 170.252 1.884 10 0 ADAERN CCCCCC(N)=CC(=O)OC 231551238 573350372 /nfs/dbraw/zinc/35/03/72/573350372.db2.gz WOIMICKYEGOIRN-FPLPWBNLSA-N 0 0 171.240 1.582 10 0 ADAERN CCc1ncc(C=O)cc1C 107117046 573350375 /nfs/dbraw/zinc/35/03/75/573350375.db2.gz GCBYGDYNMADVIB-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN COc1c(C)ccc2nccn12 238364975 573350383 /nfs/dbraw/zinc/35/03/83/573350383.db2.gz JHGJUPQOYQMLAL-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN O=C(CCCO)[C@H]1C[C@H]1C1CC1 238648281 573350391 /nfs/dbraw/zinc/35/03/91/573350391.db2.gz USXZDQPUKNRVLJ-IUCAKERBSA-N 0 0 168.236 1.374 10 0 ADAERN COC12CCC(CC1)C[C@H]2[C@@H](C)O 238365240 573350432 /nfs/dbraw/zinc/35/04/32/573350432.db2.gz IEDXMXFKMMARNU-VKAADOFISA-N 0 0 184.279 1.963 10 0 ADAERN CN[C@H](CF)c1ccccn1 107117705 573350436 /nfs/dbraw/zinc/35/04/36/573350436.db2.gz WZTZLPWUJPRUSI-MRVPVSSYSA-N 0 0 154.188 1.312 10 0 ADAERN COC12CCC(CC1)C[C@@H]2CO 238365135 573350439 /nfs/dbraw/zinc/35/04/39/573350439.db2.gz LPVUSOIEGPYDCI-HWOCKDDLSA-N 0 0 170.252 1.574 10 0 ADAERN CC(C)OC(=O)CNC1CC=CC1 132891381 573350440 /nfs/dbraw/zinc/35/04/40/573350440.db2.gz JBTLGMKGVFWAJQ-UHFFFAOYSA-N 0 0 183.251 1.246 10 0 ADAERN CC[C@@H](CC(=O)[O-])[NH2+]C1CCCC1 129709965 573351679 /nfs/dbraw/zinc/35/16/79/573351679.db2.gz BWKLCSOSEUSBKD-QMMMGPOBSA-N 0 0 185.267 1.772 10 0 ADAERN Oc1ccc(F)cc1-c1c[nH]cn1 117487525 573350880 /nfs/dbraw/zinc/35/08/80/573350880.db2.gz PLQUOXMGJSJDLT-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN Cc1nc(C2CC2)c(C=O)o1 107117156 573350901 /nfs/dbraw/zinc/35/09/01/573350901.db2.gz HOUYBFABQJYMOP-UHFFFAOYSA-N 0 0 151.165 1.673 10 0 ADAERN COc1cc(F)c2nccn2c1 238364785 573350928 /nfs/dbraw/zinc/35/09/28/573350928.db2.gz IDDZOBMYTPXGCW-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN Cc1cc[nH+]c(NCC[C@H](C)O)c1N 82991290 573350938 /nfs/dbraw/zinc/35/09/38/573350938.db2.gz NXEGVOCBCRNICQ-QMMMGPOBSA-N 0 0 195.266 1.155 10 0 ADAERN COc1cccc(C(=O)[O-])c1[C@@H](C)[NH3+] 238364840 573350949 /nfs/dbraw/zinc/35/09/49/573350949.db2.gz OBEFKEWQKSUFRV-ZCFIWIBFSA-N 0 0 195.218 1.413 10 0 ADAERN CC[C@H](NN)[C@H]1CCC[C@H](OC)C1 686357285 573350952 /nfs/dbraw/zinc/35/09/52/573350952.db2.gz CUBCNKQPIBZPCM-GUBZILKMSA-N 0 0 186.299 1.434 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)CCOC2 258006168 573350965 /nfs/dbraw/zinc/35/09/65/573350965.db2.gz GXQTXVLBGRKAPV-VIFPVBQESA-N 0 0 192.258 1.855 10 0 ADAERN COC(=O)NCCCc1ccccn1 74553930 573350968 /nfs/dbraw/zinc/35/09/68/573350968.db2.gz ATQIWRCYMYMMMU-UHFFFAOYSA-N 0 0 194.234 1.370 10 0 ADAERN COc1ccc2[nH]cc(O)c2c1 238364893 573351004 /nfs/dbraw/zinc/35/10/04/573351004.db2.gz QOUZPVCOICWJTJ-UHFFFAOYSA-N 0 0 163.176 1.882 10 0 ADAERN C[C@H]1CCNc2c[nH]nc2N1 107117393 573351010 /nfs/dbraw/zinc/35/10/10/573351010.db2.gz ZGMWLGRWJHYZAB-YFKPBYRVSA-N 0 0 152.201 1.026 10 0 ADAERN Cc1cc(C)cc([C@H]2COC[C@@H]2O)c1 687978933 573351036 /nfs/dbraw/zinc/35/10/36/573351036.db2.gz DBMWHCDJZDCOLL-NEPJUHHUSA-N 0 0 192.258 1.778 10 0 ADAERN COc1ccc(C)c2c(=O)[nH]ccc12 238364995 573351046 /nfs/dbraw/zinc/35/10/46/573351046.db2.gz PPZQTJXDMCJAQA-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN CCOCC(=O)N[C@@H](C)C(C)(C)C 132829586 573351048 /nfs/dbraw/zinc/35/10/48/573351048.db2.gz DROXCLXELLYQLK-QMMMGPOBSA-N 0 0 187.283 1.574 10 0 ADAERN Cc1[nH]nc2c1NCCS2 107118068 573351082 /nfs/dbraw/zinc/35/10/82/573351082.db2.gz YJXPYGXKJZKYKN-UHFFFAOYSA-N 0 0 155.226 1.236 10 0 ADAERN CO[C@@H]1COc2cccc(F)c2C1=O 238366168 573351061 /nfs/dbraw/zinc/35/10/61/573351061.db2.gz RJIUFDXMDSDVOW-MRVPVSSYSA-N 0 0 196.177 1.416 10 0 ADAERN CC[C@H](NN)[C@@H]1CCC[C@@H](OC)C1 686357281 573351064 /nfs/dbraw/zinc/35/10/64/573351064.db2.gz CUBCNKQPIBZPCM-BBBLOLIVSA-N 0 0 186.299 1.434 10 0 ADAERN CNC(=S)OCCC(C)C 238365534 573351066 /nfs/dbraw/zinc/35/10/66/573351066.db2.gz UTXVEDXYMSAUNH-UHFFFAOYSA-N 0 0 161.270 1.553 10 0 ADAERN COc1ccc2[nH]cnc2c1F 238365460 573351078 /nfs/dbraw/zinc/35/10/78/573351078.db2.gz UXXCVFQCQXAYBW-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN COC12CCC(CC1)C[C@@]2(C)CO 238365207 573351086 /nfs/dbraw/zinc/35/10/86/573351086.db2.gz VPLDRSSTPKDJET-YVNMAJEFSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1cnc(CNC(=O)NC(C)C)o1 74537302 573351112 /nfs/dbraw/zinc/35/11/12/573351112.db2.gz PRWLOCVPYXVJTB-UHFFFAOYSA-N 0 0 197.238 1.191 10 0 ADAERN CCc1nc(C)sc1C=O 107118055 573351115 /nfs/dbraw/zinc/35/11/15/573351115.db2.gz KONZKTVRNCKYJQ-UHFFFAOYSA-N 0 0 155.222 1.826 10 0 ADAERN COC(=O)C=C(N)CCC(C)C 231551263 573351117 /nfs/dbraw/zinc/35/11/17/573351117.db2.gz IXCYOAQPBDXGRW-VURMDHGXSA-N 0 0 171.240 1.438 10 0 ADAERN CCN(Cc1cccc(N)c1F)OC 308559386 573351134 /nfs/dbraw/zinc/35/11/34/573351134.db2.gz VBWMBNUOJMMGCQ-UHFFFAOYSA-N 0 0 198.241 1.791 10 0 ADAERN CO[C@@H](C(C)=O)c1ccnc(=S)[nH]1 238364724 573351154 /nfs/dbraw/zinc/35/11/54/573351154.db2.gz ACIDBJNSLKSCBT-ZETCQYMHSA-N 0 0 198.247 1.416 10 0 ADAERN Cc1csc(C[C@@H]2COC[C@H]2O)n1 687979005 573351189 /nfs/dbraw/zinc/35/11/89/573351189.db2.gz FCHMUWCPUBBDJQ-HTQZYQBOSA-N 0 0 199.275 1.001 10 0 ADAERN NN[C@@H](CCCCF)c1cncnc1 308560912 573351195 /nfs/dbraw/zinc/35/11/95/573351195.db2.gz XIHQVAFHHGKPNO-VIFPVBQESA-N 0 0 198.245 1.121 10 0 ADAERN Clc1ncnc(C2CC2)n1 107118190 573351198 /nfs/dbraw/zinc/35/11/98/573351198.db2.gz NQWLBXSXRUVSDI-UHFFFAOYSA-N 0 0 155.588 1.402 10 0 ADAERN OCCc1cc2c(cc1F)OCC2 258006159 573351216 /nfs/dbraw/zinc/35/12/16/573351216.db2.gz GXHLUJWYFCEIND-UHFFFAOYSA-N 0 0 182.194 1.295 10 0 ADAERN Cc1ccn(CC(=O)C(C)C)c(=O)c1 86276958 573351231 /nfs/dbraw/zinc/35/12/31/573351231.db2.gz PKJFURWBVNOWQE-UHFFFAOYSA-N 0 0 193.246 1.382 10 0 ADAERN C=Cc1cccnc1NC 209787842 573351240 /nfs/dbraw/zinc/35/12/40/573351240.db2.gz GPSRLIJGRCYGOE-UHFFFAOYSA-N 0 0 134.182 1.766 10 0 ADAERN COc1ccc(C)c2nccn12 238366122 573351245 /nfs/dbraw/zinc/35/12/45/573351245.db2.gz YURHALWACODMNX-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN CCCCOC/C=C(\C)C(=O)OC 214727992 573351262 /nfs/dbraw/zinc/35/12/62/573351262.db2.gz AIBWPIIKUQMASV-RMKNXTFCSA-N 0 0 186.251 1.922 10 0 ADAERN Nc1cccc([C@@H]2C[C@H](O)CCO2)c1 307072084 573351269 /nfs/dbraw/zinc/35/12/69/573351269.db2.gz HLBNGHXWIHUIJY-MNOVXSKESA-N 0 0 193.246 1.481 10 0 ADAERN CC[C@H]1NC(=O)CC[C@@H]1C 107115829 573351277 /nfs/dbraw/zinc/35/12/77/573351277.db2.gz VBYITMXINUMSKO-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN CN[C@H](CF)C(F)(F)F 107116407 573351305 /nfs/dbraw/zinc/35/13/05/573351305.db2.gz RQGNQPFJRIZKJB-GSVOUGTGSA-N 0 0 145.099 1.106 10 0 ADAERN C[C@H](O)[C@H](F)CC1CCC1 258635227 573351342 /nfs/dbraw/zinc/35/13/42/573351342.db2.gz YFSXHJLUZSZJNP-POYBYMJQSA-N 0 0 146.205 1.896 10 0 ADAERN C[C@H](O)CCNc1cc(N)cc(F)c1 82991273 573351320 /nfs/dbraw/zinc/35/13/20/573351320.db2.gz XDIFCNZJUPEVPL-ZETCQYMHSA-N 0 0 198.241 1.591 10 0 ADAERN CC(C)(CC(=O)[O-])[C@H]([NH3+])c1ccc[nH]1 259425390 573351692 /nfs/dbraw/zinc/35/16/92/573351692.db2.gz PELSZDRZVJMKQJ-SECBINFHSA-N 0 0 196.250 1.515 10 0 ADAERN CCc1sc2[nH]cnc(=O)c2c1C 74536398 573351347 /nfs/dbraw/zinc/35/13/47/573351347.db2.gz TTZNLAZLSPLTAK-UHFFFAOYSA-N 0 0 194.259 1.855 10 0 ADAERN Cc1cnccc1[C@@H](O)COC(C)C 132824713 573351365 /nfs/dbraw/zinc/35/13/65/573351365.db2.gz VLCBELJUCVCZDW-NSHDSACASA-N 0 0 195.262 1.848 10 0 ADAERN C[C@H](Nc1nnc(CN)o1)C1CCC1 235570931 573351696 /nfs/dbraw/zinc/35/16/96/573351696.db2.gz XTFORUDVZHHJOL-LURJTMIESA-N 0 0 196.254 1.129 10 0 ADAERN C[C@H]1CNc2cc([C@@H](C)O)ccc2O1 74537733 573351395 /nfs/dbraw/zinc/35/13/95/573351395.db2.gz ARJTZRSXHUNVHG-JGVFFNPUSA-N 0 0 193.246 1.933 10 0 ADAERN OCCc1c(O)c(F)cc(F)c1F 258006244 573351398 /nfs/dbraw/zinc/35/13/98/573351398.db2.gz HATATTMHWSQLJR-UHFFFAOYSA-N 0 0 192.136 1.344 10 0 ADAERN Cc1nc(C(=O)OCC(F)F)c[nH]1 308364796 573351420 /nfs/dbraw/zinc/35/14/20/573351420.db2.gz GXMQIEDJOGMYLV-UHFFFAOYSA-N 0 0 190.149 1.140 10 0 ADAERN COC12CCC(C)(CC1)[C@H](O)C2 238365031 573351429 /nfs/dbraw/zinc/35/14/29/573351429.db2.gz REIRGHWRHQNBTL-XNWIYYODSA-N 0 0 170.252 1.717 10 0 ADAERN CCCCC[C@@H](C)[C@@H]1CC(=O)NC1=O 132910134 573351432 /nfs/dbraw/zinc/35/14/32/573351432.db2.gz OFIPFLRWUQOBNM-BDAKNGLRSA-N 0 0 197.278 1.866 10 0 ADAERN C/C=C\COC(=O)c1c(C)noc1N 308558193 573351452 /nfs/dbraw/zinc/35/14/52/573351452.db2.gz CJFRAPOELHQBSF-ARJAWSKDSA-N 0 0 196.206 1.298 10 0 ADAERN O=Cc1cc(C2CC2)sn1 107117585 573351467 /nfs/dbraw/zinc/35/14/67/573351467.db2.gz PKIHKFOSLKYPFV-UHFFFAOYSA-N 0 0 153.206 1.833 10 0 ADAERN COc1cc(F)n2nccc2c1 238365842 573351478 /nfs/dbraw/zinc/35/14/78/573351478.db2.gz VMDLHJATWYRCHS-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN C[C@@H](O)CCNc1cccc(F)c1N 82991364 573351481 /nfs/dbraw/zinc/35/14/81/573351481.db2.gz KOCBGYFDBUULEH-SSDOTTSWSA-N 0 0 198.241 1.591 10 0 ADAERN Cc1nc(C(C)C)c(C=O)o1 107117486 573351485 /nfs/dbraw/zinc/35/14/85/573351485.db2.gz DMDPDTSORJXAJH-UHFFFAOYSA-N 0 0 153.181 1.919 10 0 ADAERN COc1nc(C(F)F)cc(F)c1O 238365966 573351508 /nfs/dbraw/zinc/35/15/08/573351508.db2.gz JOMQLBLRLPAEPJ-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN c1cc2c(s1)CCOCC2 107117777 573351509 /nfs/dbraw/zinc/35/15/09/573351509.db2.gz WHMWBBQDEPYSBG-UHFFFAOYSA-N 0 0 154.234 1.863 10 0 ADAERN Cc1ccc(N)cc1NCC[C@H](C)O 82991254 573351516 /nfs/dbraw/zinc/35/15/16/573351516.db2.gz QXSXDYYCAAXOTD-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN COc1cnn(C[C@@](C)(O)C(C)C)c1 308558803 573351543 /nfs/dbraw/zinc/35/15/43/573351543.db2.gz UTBNXJHDGZOXDG-SNVBAGLBSA-N 0 0 198.266 1.299 10 0 ADAERN CCC/C=C/C[N@@H+]1CC[C@@H](C(=O)[O-])C1 308356971 573351544 /nfs/dbraw/zinc/35/15/44/573351544.db2.gz CWABRHLXCMOCGF-ORAHPGNNSA-N 0 0 197.278 1.749 10 0 ADAERN COc1ccc2[nH]nc(N)c2c1C 238365614 573351555 /nfs/dbraw/zinc/35/15/55/573351555.db2.gz JGJWTUFCUTWCRD-UHFFFAOYSA-N 0 0 177.207 1.462 10 0 ADAERN CC(C)C(=O)Cn1ccc(=O)cc1 86276953 573351567 /nfs/dbraw/zinc/35/15/67/573351567.db2.gz WPPJIAWIQKZEES-UHFFFAOYSA-N 0 0 179.219 1.073 10 0 ADAERN COc1ccc(N)c2occc(=O)c12 238364742 573351582 /nfs/dbraw/zinc/35/15/82/573351582.db2.gz OUJJQJMPUAGVAP-UHFFFAOYSA-N 0 0 191.186 1.384 10 0 ADAERN CONCCCC(=O)OC(C)(C)C 308361632 573351595 /nfs/dbraw/zinc/35/15/95/573351595.db2.gz MITSODFNRYLOJI-UHFFFAOYSA-N 0 0 189.255 1.259 10 0 ADAERN C=Cc1cccnc1N(C)C 209788249 573351612 /nfs/dbraw/zinc/35/16/12/573351612.db2.gz DVKYTLAVYFWUQW-UHFFFAOYSA-N 0 0 148.209 1.791 10 0 ADAERN COC12CCC(CC1)C[C@@H]2[C@H](C)O 238365164 573351621 /nfs/dbraw/zinc/35/16/21/573351621.db2.gz IEDXMXFKMMARNU-QPBDYMMBSA-N 0 0 184.279 1.963 10 0 ADAERN O=C1C[C@@H]2CCCCC[C@@H]2N1 107117620 573351637 /nfs/dbraw/zinc/35/16/37/573351637.db2.gz GPXOEMQOHPLXTK-YUMQZZPRSA-N 0 0 153.225 1.455 10 0 ADAERN CO[C@@H](C)C(=O)C(C)(C)OC 238365920 573351642 /nfs/dbraw/zinc/35/16/42/573351642.db2.gz WBLMNLKPNCXPPI-LURJTMIESA-N 0 0 160.213 1.015 10 0 ADAERN CC(=O)NCCCCc1cccnc1 74554521 573353165 /nfs/dbraw/zinc/35/31/65/573353165.db2.gz GXZKJKJGBJWKTM-UHFFFAOYSA-N 0 0 192.262 1.540 10 0 ADAERN CO[C@@H]1C[C@H]2CCC(=O)[C@@H]21 238367654 573352329 /nfs/dbraw/zinc/35/23/29/573352329.db2.gz CVSOPTMQXAIZAX-LPBLVHEISA-N 0 0 140.182 1.000 10 0 ADAERN NNCc1nc(C2CCC2)cs1 259424590 573352339 /nfs/dbraw/zinc/35/23/39/573352339.db2.gz XBIWATZZGHACSS-UHFFFAOYSA-N 0 0 183.280 1.374 10 0 ADAERN c1ccc2c(c1)NCn1cncc1-2 117484940 573352349 /nfs/dbraw/zinc/35/23/49/573352349.db2.gz TYXRYVKPMNUFGD-UHFFFAOYSA-N 0 0 171.203 1.933 10 0 ADAERN COc1ccccc1[C@@H](O)C1(O)CC1 238366796 573352353 /nfs/dbraw/zinc/35/23/53/573352353.db2.gz JSTBOAAPNACGMQ-SNVBAGLBSA-N 0 0 194.230 1.254 10 0 ADAERN CC(C)C(=O)C[S@](=O)C(C)C 86277639 573352356 /nfs/dbraw/zinc/35/23/56/573352356.db2.gz IPZJKPPCKICWIX-LLVKDONJSA-N 0 0 176.281 1.369 10 0 ADAERN CC(C)c1cc(C=O)ncn1 107117116 573352368 /nfs/dbraw/zinc/35/23/68/573352368.db2.gz BOKXWDOTZIONQW-UHFFFAOYSA-N 0 0 150.181 1.413 10 0 ADAERN C[C@H](C[C@@H]([NH3+])c1ccncc1)C(=O)[O-] 259423195 573352379 /nfs/dbraw/zinc/35/23/79/573352379.db2.gz PCAVLAKWVUIPNR-VXNVDRBHSA-N 0 0 194.234 1.192 10 0 ADAERN COCc1ccccc1N[C@H](C)CO 308558824 573352382 /nfs/dbraw/zinc/35/23/82/573352382.db2.gz UUGVJUJBAZQWPW-SECBINFHSA-N 0 0 195.262 1.626 10 0 ADAERN Cc1ccc(NCC[C@H](C)O)cc1N 82991374 573352390 /nfs/dbraw/zinc/35/23/90/573352390.db2.gz QLLITMKDHMSTJN-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN Cc1cnc(CCNC(=O)C2CC2)o1 74537402 573352398 /nfs/dbraw/zinc/35/23/98/573352398.db2.gz RIDXRCDDEVLNSQ-UHFFFAOYSA-N 0 0 194.234 1.052 10 0 ADAERN C[C@H](C[NH2+]C1CCCC1)CC(=O)[O-] 129690949 573352400 /nfs/dbraw/zinc/35/24/00/573352400.db2.gz MSQGBKPRLPDWJC-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN COc1ccc2c(C(C)=O)[nH]nc2n1 238367361 573352411 /nfs/dbraw/zinc/35/24/11/573352411.db2.gz XBHNDPFCMXYJGY-UHFFFAOYSA-N 0 0 191.190 1.169 10 0 ADAERN CC[C@@H]1NC(=O)CC[C@@H]1C 107115832 573352416 /nfs/dbraw/zinc/35/24/16/573352416.db2.gz VBYITMXINUMSKO-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN NN=c1[nH]c(Br)cs1 86278113 573353196 /nfs/dbraw/zinc/35/31/96/573353196.db2.gz VLHURUITYLPCEA-UHFFFAOYSA-N 0 0 194.057 1.191 10 0 ADAERN OCc1nc(CN2CCCC2)cs1 117579302 573352450 /nfs/dbraw/zinc/35/24/50/573352450.db2.gz BIXPTJWFLHHJHS-UHFFFAOYSA-N 0 0 198.291 1.231 10 0 ADAERN CN[C@@H](CF)c1ccccn1 107117702 573352472 /nfs/dbraw/zinc/35/24/72/573352472.db2.gz WZTZLPWUJPRUSI-QMMMGPOBSA-N 0 0 154.188 1.312 10 0 ADAERN Nc1cc(-c2ccc(O)c(N)c2)no1 259424223 573352475 /nfs/dbraw/zinc/35/24/75/573352475.db2.gz NILSSWAAESMQRD-UHFFFAOYSA-N 0 0 191.190 1.212 10 0 ADAERN CC[C@@H]1NC(=O)CC[C@H]1C 107115826 573352505 /nfs/dbraw/zinc/35/25/05/573352505.db2.gz VBYITMXINUMSKO-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN NN[C@@H](C1=CCCCC1)C(F)F 236186749 573352565 /nfs/dbraw/zinc/35/25/65/573352565.db2.gz MDPNFJMQRMGHPE-ZETCQYMHSA-N 0 0 176.210 1.584 10 0 ADAERN Cc1cnc(CCNC(=O)C(C)C)o1 74537399 573352567 /nfs/dbraw/zinc/35/25/67/573352567.db2.gz XWZDUNGPVCEBHQ-UHFFFAOYSA-N 0 0 196.250 1.298 10 0 ADAERN C[C@H]1CN(c2cccc(N)c2)C(=O)O1 117583215 573352568 /nfs/dbraw/zinc/35/25/68/573352568.db2.gz QBTYPVCRMWDJGB-ZETCQYMHSA-N 0 0 192.218 1.614 10 0 ADAERN CCC[C@@H]1N[C@H](C)C(=O)N1C1CCC1 124176190 573352574 /nfs/dbraw/zinc/35/25/74/573352574.db2.gz OEEUSPRDIXFMTR-PSASIEDQSA-N 0 0 196.294 1.485 10 0 ADAERN Cc1cc(N)c[nH+]c1NCC[C@H](C)O 82991303 573352580 /nfs/dbraw/zinc/35/25/80/573352580.db2.gz CZVFRRNBBDTDKX-QMMMGPOBSA-N 0 0 195.266 1.155 10 0 ADAERN Nc1cc(-c2ccc(F)cc2O)[nH]n1 258006145 573352584 /nfs/dbraw/zinc/35/25/84/573352584.db2.gz GWJRMLKLZAIDOI-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN COc1[nH]c(C(F)F)cc(=O)c1N 238367187 573352608 /nfs/dbraw/zinc/35/26/08/573352608.db2.gz ICZGAIPMRVHNIE-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+]CCC(F)F 308356906 573352610 /nfs/dbraw/zinc/35/26/10/573352610.db2.gz BORUDIHVIBRKDG-GQCTYLIASA-N 0 0 193.193 1.262 10 0 ADAERN CC(C)Cc1ncoc1C=O 107117489 573352616 /nfs/dbraw/zinc/35/26/16/573352616.db2.gz LKHPSCTUGQSAEB-UHFFFAOYSA-N 0 0 153.181 1.686 10 0 ADAERN CCC[C@@H]1N[C@@H](C)C(=O)N1C1CCC1 124176590 573352617 /nfs/dbraw/zinc/35/26/17/573352617.db2.gz OEEUSPRDIXFMTR-WCBMZHEXSA-N 0 0 196.294 1.485 10 0 ADAERN Cc1c(N)ccc2ncoc12 107116927 573352619 /nfs/dbraw/zinc/35/26/19/573352619.db2.gz FMIHJHPCYCUZFI-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN CCCCCO[C@@H]1C[C@@H](O)[C@@H]1OC 132877439 573352630 /nfs/dbraw/zinc/35/26/30/573352630.db2.gz GIGAKYVFHYHINN-BBBLOLIVSA-N 0 0 188.267 1.341 10 0 ADAERN COc1cc(C)c(F)cc1CNO 258006164 573353181 /nfs/dbraw/zinc/35/31/81/573353181.db2.gz GXOJJSCHRIVOHP-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN CC(C)=C[C@H](C)[C@@H]1COC(=O)N1 238367941 573352664 /nfs/dbraw/zinc/35/26/64/573352664.db2.gz NGRMMKHDOAPTDO-YUMQZZPRSA-N 0 0 169.224 1.697 10 0 ADAERN CN[C@@H](CF)C(F)(F)F 107116403 573352666 /nfs/dbraw/zinc/35/26/66/573352666.db2.gz RQGNQPFJRIZKJB-VKHMYHEASA-N 0 0 145.099 1.106 10 0 ADAERN Cc1ccc(N)cc1NCC[C@@H](C)O 82991253 573352677 /nfs/dbraw/zinc/35/26/77/573352677.db2.gz QXSXDYYCAAXOTD-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN COc1c(C)ccn2cncc12 238366834 573352694 /nfs/dbraw/zinc/35/26/94/573352694.db2.gz NQSBEHYYDNHDGC-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN Cc1cn2cc(F)cc(N)c2n1 74536371 573352698 /nfs/dbraw/zinc/35/26/98/573352698.db2.gz VKCQRSLWBMJKSQ-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN CCC1(CC)CC(=O)C=C1O 107117717 573352752 /nfs/dbraw/zinc/35/27/52/573352752.db2.gz VJZKRGWOTUFYOO-UHFFFAOYSA-N 0 0 154.209 1.725 10 0 ADAERN CCc1cc(C=O)ns1 107115782 573352773 /nfs/dbraw/zinc/35/27/73/573352773.db2.gz JQVUFFYWFWJBQL-UHFFFAOYSA-N 0 0 141.195 1.518 10 0 ADAERN Cc1cc[nH+]c(NCC[C@@H](C)O)c1N 82991288 573352783 /nfs/dbraw/zinc/35/27/83/573352783.db2.gz NXEGVOCBCRNICQ-MRVPVSSYSA-N 0 0 195.266 1.155 10 0 ADAERN CCCOC(=O)N[C@@H](C)c1ncc[nH]1 308558553 573352785 /nfs/dbraw/zinc/35/27/85/573352785.db2.gz URLNJNFYWINEEK-ZETCQYMHSA-N 0 0 197.238 1.607 10 0 ADAERN CC(C)c1ccc(NCCCO)nn1 259424365 573352791 /nfs/dbraw/zinc/35/27/91/573352791.db2.gz WYBIYURHWMAXBK-UHFFFAOYSA-N 0 0 195.266 1.394 10 0 ADAERN C[C@H](O)CCNc1cccc(F)c1N 82991363 573352800 /nfs/dbraw/zinc/35/28/00/573352800.db2.gz KOCBGYFDBUULEH-ZETCQYMHSA-N 0 0 198.241 1.591 10 0 ADAERN C=Cc1cnc(NC)c(N)c1 209788513 573352801 /nfs/dbraw/zinc/35/28/01/573352801.db2.gz KMTPLAPEIZGPPR-UHFFFAOYSA-N 0 0 149.197 1.349 10 0 ADAERN C[C@@H]1CC[C@@H]2NC(=O)C[C@@H]2C1 107117627 573352805 /nfs/dbraw/zinc/35/28/05/573352805.db2.gz PRKPWJWVYVZDMA-CSMHCCOUSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@@H](C[C@H]([NH3+])c1ccncc1)C(=O)[O-] 259423190 573352818 /nfs/dbraw/zinc/35/28/18/573352818.db2.gz PCAVLAKWVUIPNR-CBAPKCEASA-N 0 0 194.234 1.192 10 0 ADAERN Oc1ccccc1NC1=NCCS1 258009217 573352823 /nfs/dbraw/zinc/35/28/23/573352823.db2.gz HBBVDOWBEOGZGM-UHFFFAOYSA-N 0 0 194.259 1.907 10 0 ADAERN C[C@H](O)c1c(F)c(O)cc(O)c1F 258009060 573352860 /nfs/dbraw/zinc/35/28/60/573352860.db2.gz HHNIAOQVOLMKID-VKHMYHEASA-N 0 0 190.145 1.429 10 0 ADAERN C[C@@H]1CN(c2cccc(N)c2)C(=O)O1 117583212 573352870 /nfs/dbraw/zinc/35/28/70/573352870.db2.gz QBTYPVCRMWDJGB-SSDOTTSWSA-N 0 0 192.218 1.614 10 0 ADAERN C[C@@]1(CO)CCCC[C@H]1F 258637791 573352890 /nfs/dbraw/zinc/35/28/90/573352890.db2.gz YMULCAQFTLQDLJ-SFYZADRCSA-N 0 0 146.205 1.897 10 0 ADAERN COc1cc2c(cc1CCO)COC2 258006153 573352892 /nfs/dbraw/zinc/35/28/92/573352892.db2.gz GXCBZOFLGBMUNX-UHFFFAOYSA-N 0 0 194.230 1.260 10 0 ADAERN CCc1c(C)nc2c(CO)cccn12 74536288 573352898 /nfs/dbraw/zinc/35/28/98/573352898.db2.gz JRIIVXFALKNDAL-UHFFFAOYSA-N 0 0 190.246 1.697 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)CCOC2 258006167 573352911 /nfs/dbraw/zinc/35/29/11/573352911.db2.gz GXQTXVLBGRKAPV-SECBINFHSA-N 0 0 192.258 1.855 10 0 ADAERN CO[C@@H]1C[C@@H]2CCC[C@@H]2CC1=O 238366899 573352914 /nfs/dbraw/zinc/35/29/14/573352914.db2.gz HYWNGLWVZYRUAO-KHQFGBGNSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@H](O)CCNc1ccc(F)cc1N 82991292 573352919 /nfs/dbraw/zinc/35/29/19/573352919.db2.gz YMQIMFBRIPIZLR-ZETCQYMHSA-N 0 0 198.241 1.591 10 0 ADAERN Nc1cccc([C@H]2C[C@H](O)CCO2)c1 307072083 573352923 /nfs/dbraw/zinc/35/29/23/573352923.db2.gz HLBNGHXWIHUIJY-GHMZBOCLSA-N 0 0 193.246 1.481 10 0 ADAERN COC(=O)[C@H](F)CC(C)(C)C 258635608 573352942 /nfs/dbraw/zinc/35/29/42/573352942.db2.gz YHBOAHMPLGCKRY-ZCFIWIBFSA-N 0 0 162.204 1.934 10 0 ADAERN CC[C@H]1NC(=O)CC[C@H]1C 107115823 573352946 /nfs/dbraw/zinc/35/29/46/573352946.db2.gz VBYITMXINUMSKO-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN CCn1ncnc1[C@H](O)C1(CC)CC1 308558651 573352990 /nfs/dbraw/zinc/35/29/90/573352990.db2.gz VXHJBTWGJOMQJR-QMMMGPOBSA-N 0 0 195.266 1.522 10 0 ADAERN CCOC(=O)C1(C2CCC2)COC1 259425518 573352973 /nfs/dbraw/zinc/35/29/73/573352973.db2.gz ZFNZVJKJFBZRPL-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN COCc1ccccc1CCCO 258006177 573352974 /nfs/dbraw/zinc/35/29/74/573352974.db2.gz MKRYLQCBXOTABN-UHFFFAOYSA-N 0 0 180.247 1.758 10 0 ADAERN CCC(C)(C)O[C@@H]1C[C@H](O)[C@@H]1OC 132869062 573353201 /nfs/dbraw/zinc/35/32/01/573353201.db2.gz SADIIGANSQIYSX-YIZRAAEISA-N 0 0 188.267 1.340 10 0 ADAERN CC[C@H](CC(=O)[O-])[NH2+]C1CCCC1 129710181 573352993 /nfs/dbraw/zinc/35/29/93/573352993.db2.gz BWKLCSOSEUSBKD-MRVPVSSYSA-N 0 0 185.267 1.772 10 0 ADAERN C=Cc1ccc(N(C)C)cn1 209788288 573353202 /nfs/dbraw/zinc/35/32/02/573353202.db2.gz GSJVWVVKOTZLMO-UHFFFAOYSA-N 0 0 148.209 1.791 10 0 ADAERN CCc1cc2c(o1)CCC2=O 107117105 573352997 /nfs/dbraw/zinc/35/29/97/573352997.db2.gz IMKPVRCVOOLFCI-UHFFFAOYSA-N 0 0 150.177 1.971 10 0 ADAERN C/C=C/C(=O)NC[C@@H]1CCCC[C@@H]1O 82992191 573353016 /nfs/dbraw/zinc/35/30/16/573353016.db2.gz RUTBEAZTNOOIHW-PSJTYZLDSA-N 0 0 197.278 1.230 10 0 ADAERN C[C@H](O)CCNc1cc(F)ccc1N 82991284 573353025 /nfs/dbraw/zinc/35/30/25/573353025.db2.gz ACHUXNJRMPXXJT-ZETCQYMHSA-N 0 0 198.241 1.591 10 0 ADAERN CCOC(=O)CN[C@@H](C)C(C)(C)C 132964992 573353034 /nfs/dbraw/zinc/35/30/34/573353034.db2.gz PEBJMTOCAYAHGO-QMMMGPOBSA-N 0 0 187.283 1.574 10 0 ADAERN CCc1ncsc1C=O 107115777 573353039 /nfs/dbraw/zinc/35/30/39/573353039.db2.gz NUQOXCXRDNXTHR-UHFFFAOYSA-N 0 0 141.195 1.518 10 0 ADAERN ONCCc1cccc(Cl)c1 78407360 573353204 /nfs/dbraw/zinc/35/32/04/573353204.db2.gz GZSXDYXLMWSMIR-UHFFFAOYSA-N 0 0 171.627 1.861 10 0 ADAERN CCC/C=C/C[N@@H+]1CC[C@H](C(=O)[O-])C1 308356975 573353043 /nfs/dbraw/zinc/35/30/43/573353043.db2.gz CWABRHLXCMOCGF-YEZKRMTDSA-N 0 0 197.278 1.749 10 0 ADAERN c1coc(C23OCC(CO2)CO3)c1 258491957 573353060 /nfs/dbraw/zinc/35/30/60/573353060.db2.gz BCZZVEASDOIWOW-UHFFFAOYSA-N 0 0 182.175 1.083 10 0 ADAERN CCC[C@H]1C[C@@H](NOC)CCO1 132954700 573353063 /nfs/dbraw/zinc/35/30/63/573353063.db2.gz LSHVKSMUAQFLSC-IUCAKERBSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@@H](O)CCNc1cc(N)cc(F)c1 82991275 573353066 /nfs/dbraw/zinc/35/30/66/573353066.db2.gz XDIFCNZJUPEVPL-SSDOTTSWSA-N 0 0 198.241 1.591 10 0 ADAERN COc1nc(C(F)F)cc(N)c1F 238366771 573353077 /nfs/dbraw/zinc/35/30/77/573353077.db2.gz AORQAOUVCJVIGI-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CCC1(C(=O)N(CCO)C(C)C)CC1 308558359 573353079 /nfs/dbraw/zinc/35/30/79/573353079.db2.gz VRMJHQDOIPZXOD-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN CC(C)C(=O)CSC1COC1 86277394 573353093 /nfs/dbraw/zinc/35/30/93/573353093.db2.gz DTONENQKCVZPTC-UHFFFAOYSA-N 0 0 174.265 1.344 10 0 ADAERN C[C@@H](O)CCNc1cc(F)ccc1N 82991286 573353099 /nfs/dbraw/zinc/35/30/99/573353099.db2.gz ACHUXNJRMPXXJT-SSDOTTSWSA-N 0 0 198.241 1.591 10 0 ADAERN C[NH2+]CN(C)Cc1ccccc1 258637026 573353110 /nfs/dbraw/zinc/35/31/10/573353110.db2.gz LKVHXODMEKQPIN-UHFFFAOYSA-N 0 0 164.252 1.295 10 0 ADAERN O=C(OCC1CC1)C1=COCCC1 308357511 573353113 /nfs/dbraw/zinc/35/31/13/573353113.db2.gz BJFJXLQAFIYULA-UHFFFAOYSA-N 0 0 182.219 1.634 10 0 ADAERN COc1nc(C(F)F)ccc1O 238367648 573353118 /nfs/dbraw/zinc/35/31/18/573353118.db2.gz HVZCNLOSMJQCRZ-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN COc1cnn(C[C@](C)(O)C(C)C)c1 308558802 573353132 /nfs/dbraw/zinc/35/31/32/573353132.db2.gz UTBNXJHDGZOXDG-JTQLQIEISA-N 0 0 198.266 1.299 10 0 ADAERN C[C@@H]1CC[C@H]2NC(=O)C[C@@H]2C1 107117623 573353146 /nfs/dbraw/zinc/35/31/46/573353146.db2.gz PRKPWJWVYVZDMA-GJMOJQLCSA-N 0 0 153.225 1.311 10 0 ADAERN CCN[C@@H](CF)C(F)(F)F 107119295 573353760 /nfs/dbraw/zinc/35/37/60/573353760.db2.gz VSBYCCSIGDULIJ-BYPYZUCNSA-N 0 0 159.126 1.496 10 0 ADAERN O[C@@H](CC1CC1)C1CC1 82999807 573353746 /nfs/dbraw/zinc/35/37/46/573353746.db2.gz FFSVPBOKQJWXIU-QMMMGPOBSA-N 0 0 126.199 1.557 10 0 ADAERN COc1ccc2c(C(=O)[O-])ncn2c1 238367757 573353751 /nfs/dbraw/zinc/35/37/51/573353751.db2.gz PZEPCMBTRZPLBU-UHFFFAOYSA-N 0 0 192.174 1.041 10 0 ADAERN CCN[C@H](CF)C(F)(F)F 107119297 573355788 /nfs/dbraw/zinc/35/57/88/573355788.db2.gz VSBYCCSIGDULIJ-SCSAIBSYSA-N 0 0 159.126 1.496 10 0 ADAERN C[C@@H]1CNc2ccc(O)cc2O1 107120463 573355112 /nfs/dbraw/zinc/35/51/12/573355112.db2.gz FZARGFGUVKFTGV-ZCFIWIBFSA-N 0 0 165.192 1.585 10 0 ADAERN CCC[C@H]1N[C@@H](C)C(=O)N1C1CCC1 124176815 573355113 /nfs/dbraw/zinc/35/51/13/573355113.db2.gz OEEUSPRDIXFMTR-WPRPVWTQSA-N 0 0 196.294 1.485 10 0 ADAERN N#CN1C[C@@H](C2CCCC2)NC1=O 259609188 573355120 /nfs/dbraw/zinc/35/51/20/573355120.db2.gz WZVYWVHNSKYCFT-QMMMGPOBSA-N 0 0 179.223 1.051 10 0 ADAERN CC(C)[C@]1(O)CCS[C@@H]1C 107119891 573354802 /nfs/dbraw/zinc/35/48/02/573354802.db2.gz ZQGPHBWZXPRJSE-HTQZYQBOSA-N 0 0 160.282 1.899 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1Cc1cnn(C)c1 83002843 573354202 /nfs/dbraw/zinc/35/42/02/573354202.db2.gz DDDPIWJBJFTGKY-WPRPVWTQSA-N 0 0 192.262 1.578 10 0 ADAERN CCCOc1cnn([C@@H](C)[C@@H](C)O)c1 308560958 573354212 /nfs/dbraw/zinc/35/42/12/573354212.db2.gz VZXCHQWSPNWKDU-DTWKUNHWSA-N 0 0 198.266 1.614 10 0 ADAERN Cc1nc(C)c(/C=C/C(N)=O)s1 211680553 573354242 /nfs/dbraw/zinc/35/42/42/573354242.db2.gz JXGVRUZHCOVKLQ-ONEGZZNKSA-N 0 0 182.248 1.258 10 0 ADAERN Cn1nc(C2CCCCC2)cc1CO 259426088 573354251 /nfs/dbraw/zinc/35/42/51/573354251.db2.gz YXHFQEZWAIAFRU-UHFFFAOYSA-N 0 0 194.278 1.960 10 0 ADAERN O=C1NCCSCC12CCCCC2 259425979 573354260 /nfs/dbraw/zinc/35/42/60/573354260.db2.gz YVHAGDGIYOXXLR-UHFFFAOYSA-N 0 0 199.319 1.800 10 0 ADAERN Cc1ccc2c(N)nsc2n1 107120555 573354272 /nfs/dbraw/zinc/35/42/72/573354272.db2.gz QIYOKXPVYYVUIV-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN CCN[C@@H](CF)c1ccco1 107118581 573354279 /nfs/dbraw/zinc/35/42/79/573354279.db2.gz DPYLROPQSLCJED-ZETCQYMHSA-N 0 0 157.188 1.900 10 0 ADAERN CCC(CC)c1cc(C(N)=O)on1 308357327 573354301 /nfs/dbraw/zinc/35/43/01/573354301.db2.gz LBVTVZJHCJRTFQ-UHFFFAOYSA-N 0 0 182.223 1.677 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1cncnc1 83001578 573354307 /nfs/dbraw/zinc/35/43/07/573354307.db2.gz PSPRLOUCXWACJO-CBAPKCEASA-N 0 0 176.219 1.559 10 0 ADAERN COCCCc1oncc1C=O 259426010 573354317 /nfs/dbraw/zinc/35/43/17/573354317.db2.gz YWCATXLMEXPASM-UHFFFAOYSA-N 0 0 169.180 1.066 10 0 ADAERN Cc1ccc(CCON)cc1F 258009967 573354319 /nfs/dbraw/zinc/35/43/19/573354319.db2.gz MVFXURHYRKPUPH-UHFFFAOYSA-N 0 0 169.199 1.567 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]CCC(F)F 308356908 573354331 /nfs/dbraw/zinc/35/43/31/573354331.db2.gz BORUDIHVIBRKDG-XQRVVYSFSA-N 0 0 193.193 1.262 10 0 ADAERN COC[C@@H](C)C(=O)NOC(C)(C)C 308357346 573354348 /nfs/dbraw/zinc/35/43/48/573354348.db2.gz LCLGKHCOZLYZNK-SSDOTTSWSA-N 0 0 189.255 1.115 10 0 ADAERN OC1([C@@H]2CCCO2)CCC1 258009730 573354350 /nfs/dbraw/zinc/35/43/50/573354350.db2.gz MSIRITOAUYFSCB-ZETCQYMHSA-N 0 0 142.198 1.080 10 0 ADAERN CS[C@@H]1CCC(=O)[C@@H]1C 83000580 573354354 /nfs/dbraw/zinc/35/43/54/573354354.db2.gz WAPMLVWRVPHVJT-CAHLUQPWSA-N 0 0 144.239 1.717 10 0 ADAERN CCCOc1cnn([C@H](C)[C@@H](C)O)c1 308560960 573354356 /nfs/dbraw/zinc/35/43/56/573354356.db2.gz VZXCHQWSPNWKDU-RKDXNWHRSA-N 0 0 198.266 1.614 10 0 ADAERN CN(C)c1ccccc1C1(O)CC1 258009887 573354816 /nfs/dbraw/zinc/35/48/16/573354816.db2.gz MSJKLORAXXGVRK-UHFFFAOYSA-N 0 0 177.247 1.734 10 0 ADAERN CC(C)=C[C@H](C)[C@H]1COC(=O)N1 238368099 573354363 /nfs/dbraw/zinc/35/43/63/573354363.db2.gz NGRMMKHDOAPTDO-JGVFFNPUSA-N 0 0 169.224 1.697 10 0 ADAERN COc1ccc([C@@H]2CO[C@@H](O)C2)cc1 238367090 573354391 /nfs/dbraw/zinc/35/43/91/573354391.db2.gz TZSVIUOSGSCVFJ-GXSJLCMTSA-N 0 0 194.230 1.518 10 0 ADAERN Cc1nc(C=O)cc(C2CC2)n1 107120111 573354412 /nfs/dbraw/zinc/35/44/12/573354412.db2.gz TVEUPKCDLSGNQB-UHFFFAOYSA-N 0 0 162.192 1.475 10 0 ADAERN CC1(C)C[C@@H](F)CC(=O)N1 258635758 573354434 /nfs/dbraw/zinc/35/44/34/573354434.db2.gz YHQPKVZCGLRHCM-YFKPBYRVSA-N 0 0 145.177 1.013 10 0 ADAERN COc1cc(N)c2c(c1)CCC2 238367669 573354441 /nfs/dbraw/zinc/35/44/41/573354441.db2.gz GNPPNEAASOMMCW-UHFFFAOYSA-N 0 0 163.220 1.766 10 0 ADAERN CON(CCC(C)C)CC(C)(C)O 308357322 573354442 /nfs/dbraw/zinc/35/44/42/573354442.db2.gz LBTIPIJWLJHZNE-UHFFFAOYSA-N 0 0 189.299 1.667 10 0 ADAERN CCC[C@H](OC)[C@@H](O)Cc1ccoc1 132872036 573354444 /nfs/dbraw/zinc/35/44/44/573354444.db2.gz ZQUSORBXCUXLNL-QWRGUYRKSA-N 0 0 198.262 1.998 10 0 ADAERN COc1ccn2c(N)cnc2c1F 238368376 573354450 /nfs/dbraw/zinc/35/44/50/573354450.db2.gz BHIRKAHTSFJTGX-UHFFFAOYSA-N 0 0 181.170 1.064 10 0 ADAERN CN1CCc2c(coc2C=O)C1 107120485 573354459 /nfs/dbraw/zinc/35/44/59/573354459.db2.gz LLNZRPAIBMYKJA-UHFFFAOYSA-N 0 0 165.192 1.080 10 0 ADAERN CCc1c(C)nc2c(N)cccn12 74536330 573354464 /nfs/dbraw/zinc/35/44/64/573354464.db2.gz HFTRQHLYKNCISM-UHFFFAOYSA-N 0 0 175.235 1.787 10 0 ADAERN COc1cc(C)c(CO)c(O)c1 238367083 573354472 /nfs/dbraw/zinc/35/44/72/573354472.db2.gz LTZZMQRJVUPKOK-UHFFFAOYSA-N 0 0 168.192 1.202 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1Sc1nc[nH]n1 83000499 573354493 /nfs/dbraw/zinc/35/44/93/573354493.db2.gz IFWXFDUOIRCBBA-IYSWYEEDSA-N 0 0 197.263 1.264 10 0 ADAERN COc1cc(C)c(CO)nc1C 238367176 573354496 /nfs/dbraw/zinc/35/44/96/573354496.db2.gz AHZADJLAFUNHBV-UHFFFAOYSA-N 0 0 167.208 1.199 10 0 ADAERN COCC[C@@H](O)CC1CC1 82999824 573354501 /nfs/dbraw/zinc/35/45/01/573354501.db2.gz SYMWMJYFUYZCPO-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN COc1cc(C)c(CO)c(O)c1F 238367109 573354502 /nfs/dbraw/zinc/35/45/02/573354502.db2.gz RXVOFNGDOBZNQY-UHFFFAOYSA-N 0 0 186.182 1.341 10 0 ADAERN CC[C@H]1CN(CC)C(=O)N1C 259426843 573354507 /nfs/dbraw/zinc/35/45/07/573354507.db2.gz LQJICMXVSXMRJK-ZETCQYMHSA-N 0 0 156.229 1.152 10 0 ADAERN C[C@H](C[NH2+][C@@H](C)[C@@H](C)C(=O)[O-])C1CC1 132841364 573354511 /nfs/dbraw/zinc/35/45/11/573354511.db2.gz WMXVGGUKFMKGHQ-HLTSFMKQSA-N 0 0 199.294 1.731 10 0 ADAERN Cc1n[nH]c2ccc([C@H](C)O)cc12 258009919 573354530 /nfs/dbraw/zinc/35/45/30/573354530.db2.gz MTOVNAIXSFBSPL-ZETCQYMHSA-N 0 0 176.219 1.925 10 0 ADAERN C[C@@H]1CNc2cc(O)ccc2O1 107120469 573354538 /nfs/dbraw/zinc/35/45/38/573354538.db2.gz TWUQECLTGOGBRD-ZCFIWIBFSA-N 0 0 165.192 1.585 10 0 ADAERN CCn1ccnc1[C@@H]1CCC(=O)[C@@H]1C 83001683 573354545 /nfs/dbraw/zinc/35/45/45/573354545.db2.gz JLADCQOYNGGRCN-RKDXNWHRSA-N 0 0 192.262 1.986 10 0 ADAERN CCc1c(C)nc2cccc(CO)n12 74536322 573354556 /nfs/dbraw/zinc/35/45/56/573354556.db2.gz DJXFDEKHYPQFTD-UHFFFAOYSA-N 0 0 190.246 1.697 10 0 ADAERN Cc1coc([C@H](O)c2ncccn2)c1 715782396 573354558 /nfs/dbraw/zinc/35/45/58/573354558.db2.gz YMKMJWILTZOMND-VIFPVBQESA-N 0 0 190.202 1.460 10 0 ADAERN CC(C)(C[NH2+]C1CC=CC1)C(=O)[O-] 132957740 573354569 /nfs/dbraw/zinc/35/45/69/573354569.db2.gz GIECOPIPMZEOMO-UHFFFAOYSA-N 0 0 183.251 1.405 10 0 ADAERN Cc1ccnn1CC(=O)C(C)C 86276983 573354578 /nfs/dbraw/zinc/35/45/78/573354578.db2.gz HBJIOXOZUBALKF-UHFFFAOYSA-N 0 0 166.224 1.417 10 0 ADAERN Cc1cc(CC(=O)OCCF)no1 308362260 573354579 /nfs/dbraw/zinc/35/45/79/573354579.db2.gz FBXZKUDFKPMLQD-UHFFFAOYSA-N 0 0 187.170 1.038 10 0 ADAERN C[C@H]([NH2+]Cc1ccn(C)n1)C(C)(C)C 132843893 573354589 /nfs/dbraw/zinc/35/45/89/573354589.db2.gz FRYYCSHVELYMCP-VIFPVBQESA-N 0 0 195.310 1.944 10 0 ADAERN CNOC/C=C/c1ccccc1F 258493391 573354609 /nfs/dbraw/zinc/35/46/09/573354609.db2.gz CQCBHDBBKUYVSZ-GQCTYLIASA-N 0 0 181.210 1.990 10 0 ADAERN COc1ccc([C@@H]2CO[C@H](O)C2)cc1 238367102 573354610 /nfs/dbraw/zinc/35/46/10/573354610.db2.gz TZSVIUOSGSCVFJ-ONGXEEELSA-N 0 0 194.230 1.518 10 0 ADAERN O=C(Nc1cc[nH]c1)[C@@H]1CCCC[NH2+]1 258637056 573354624 /nfs/dbraw/zinc/35/46/24/573354624.db2.gz DTAIAXOJGBVGTF-VIFPVBQESA-N 0 0 193.250 1.095 10 0 ADAERN O=C(CC1CC1)c1cnccn1 82999663 573354650 /nfs/dbraw/zinc/35/46/50/573354650.db2.gz RVJWZFBGWCELKP-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN Clc1nc2n(n1)CCCC2 107118917 573354661 /nfs/dbraw/zinc/35/46/61/573354661.db2.gz VSZZVYILXYVTDY-UHFFFAOYSA-N 0 0 157.604 1.268 10 0 ADAERN Cc1ccc(C)c(CCCO)c1O 258009914 573354711 /nfs/dbraw/zinc/35/47/11/573354711.db2.gz MTMXKPGVIFTONB-UHFFFAOYSA-N 0 0 180.247 1.934 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1cnn(C)c1 83001725 573354737 /nfs/dbraw/zinc/35/47/37/573354737.db2.gz FTPNMIAXRLVXIP-APPZFPTMSA-N 0 0 178.235 1.503 10 0 ADAERN C[C@@H](CC[NH2+]C1CCCC1)C(=O)[O-] 129689566 573354743 /nfs/dbraw/zinc/35/47/43/573354743.db2.gz ALKQWTREEHJYHR-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1cccc(=O)n1CC(=O)C(C)C 86276914 573354759 /nfs/dbraw/zinc/35/47/59/573354759.db2.gz CMQKLRGGPUAIPO-UHFFFAOYSA-N 0 0 193.246 1.382 10 0 ADAERN CONCc1cccc(O)c1C 258010049 573354797 /nfs/dbraw/zinc/35/47/97/573354797.db2.gz MYZCCTVJYONMFX-UHFFFAOYSA-N 0 0 167.208 1.352 10 0 ADAERN CCCOc1cccc([C@@H](O)CO)c1 132850336 573354798 /nfs/dbraw/zinc/35/47/98/573354798.db2.gz XAEQPFIXHKHMOT-NSHDSACASA-N 0 0 196.246 1.501 10 0 ADAERN CS[C@H]1CCC(=O)[C@H]1C 83000583 573354784 /nfs/dbraw/zinc/35/47/84/573354784.db2.gz WAPMLVWRVPHVJT-VDTYLAMSSA-N 0 0 144.239 1.717 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1ccnn1C 83001841 573354792 /nfs/dbraw/zinc/35/47/92/573354792.db2.gz VZSFRTBAGSBCQG-SFYZADRCSA-N 0 0 178.235 1.503 10 0 ADAERN CC(C)CCC1(O)CN(C)C1 107118819 573354846 /nfs/dbraw/zinc/35/48/46/573354846.db2.gz CNUHAKYZLPIAMZ-UHFFFAOYSA-N 0 0 157.257 1.099 10 0 ADAERN COc1ccc(CO)c2c1C(=O)CC2 238368068 573354856 /nfs/dbraw/zinc/35/48/56/573354856.db2.gz RWDZVXKTUIQLQL-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1nnc(CN)o1 235570792 573355105 /nfs/dbraw/zinc/35/51/05/573355105.db2.gz XULXDCGQJCBHEU-BQBZGAKWSA-N 0 0 196.254 1.129 10 0 ADAERN C[C@@H]1C[C@@]1(C)[C@H](C(=O)[O-])[NH+](C)C 714680223 573354864 /nfs/dbraw/zinc/35/48/64/573354864.db2.gz QFPRIZKUXWRINY-BKPPORCPSA-N 0 0 171.240 1.047 10 0 ADAERN COC(=O)CN[C@@H](C)C(C)(C)C 132965472 573354869 /nfs/dbraw/zinc/35/48/69/573354869.db2.gz CBIFALQLZDEPFL-ZETCQYMHSA-N 0 0 173.256 1.184 10 0 ADAERN Cc1noc(-c2c(C)nsc2N)n1 86292699 573354906 /nfs/dbraw/zinc/35/49/06/573354906.db2.gz MXRVBYBTPHVTCO-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN C[C@H](O)c1ccc2c(c1)NCCO2 74537726 573354907 /nfs/dbraw/zinc/35/49/07/573354907.db2.gz ZYHFTYQHOBYYBJ-ZETCQYMHSA-N 0 0 179.219 1.544 10 0 ADAERN OCC[C@@]12C=C[C@@H](CC1)C2 117636336 573354913 /nfs/dbraw/zinc/35/49/13/573354913.db2.gz MEJFVBUCFBLTKO-DTWKUNHWSA-N 0 0 138.210 1.725 10 0 ADAERN NOCCc1cccc2cc[nH]c12 258010058 573354935 /nfs/dbraw/zinc/35/49/35/573354935.db2.gz MZEFZGJTWCLWHR-UHFFFAOYSA-N 0 0 176.219 1.601 10 0 ADAERN C[C@@]1(C2CCCC2)OC[C@H](CO)O1 258010755 573354944 /nfs/dbraw/zinc/35/49/44/573354944.db2.gz ABYQDKMQWJWLTG-VHSXEESVSA-N 0 0 186.251 1.301 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1cnccn1 83002415 573354950 /nfs/dbraw/zinc/35/49/50/573354950.db2.gz PLZCOSISOJXERB-HTQZYQBOSA-N 0 0 176.219 1.559 10 0 ADAERN Cc1noc(CCOCC(F)F)n1 308361565 573354972 /nfs/dbraw/zinc/35/49/72/573354972.db2.gz DTVXQVFRQKFAGR-UHFFFAOYSA-N 0 0 192.165 1.202 10 0 ADAERN CC[C@@]1(CO)Cc2cccc(O)c2N1 258010235 573354974 /nfs/dbraw/zinc/35/49/74/573354974.db2.gz COODJLIKMKOMOV-NSHDSACASA-N 0 0 193.246 1.501 10 0 ADAERN COCC(C)(C)[N@H+](C)[C@@H]1CCCC1=O 308561392 573354978 /nfs/dbraw/zinc/35/49/78/573354978.db2.gz FMYOMLVQLNTWFV-SECBINFHSA-N 0 0 199.294 1.465 10 0 ADAERN CCC(=O)c1ccc(C(=O)OC)o1 132843642 573354983 /nfs/dbraw/zinc/35/49/83/573354983.db2.gz WYLDUZFVBQEKEH-UHFFFAOYSA-N 0 0 182.175 1.659 10 0 ADAERN CCn1nccc1[C@H]1CCC(=O)[C@H]1C 83001682 573354996 /nfs/dbraw/zinc/35/49/96/573354996.db2.gz BIWYVWGLLMDJDG-IUCAKERBSA-N 0 0 192.262 1.986 10 0 ADAERN CONCc1c(C)cccc1OC 258009982 573355008 /nfs/dbraw/zinc/35/50/08/573355008.db2.gz MVRHNXSYCNNFOJ-UHFFFAOYSA-N 0 0 181.235 1.655 10 0 ADAERN CCC[S@@](=O)[C@@H]1CCC(=O)[C@@H]1C 83002931 573355010 /nfs/dbraw/zinc/35/50/10/573355010.db2.gz PBIWEPIQKREFDR-VMAXQDLPSA-N 0 0 188.292 1.513 10 0 ADAERN COCC[C@@H](O)c1cncc(OC)c1 124176756 573355018 /nfs/dbraw/zinc/35/50/18/573355018.db2.gz RTJYGIGDUMFITR-SNVBAGLBSA-N 0 0 197.234 1.160 10 0 ADAERN CCOC[C@H](O)c1ccncc1C 132841231 573355023 /nfs/dbraw/zinc/35/50/23/573355023.db2.gz JPMWHXDPKRCWLZ-JTQLQIEISA-N 0 0 181.235 1.460 10 0 ADAERN CCC[C@@H](O)CC1CC1 82999806 573355032 /nfs/dbraw/zinc/35/50/32/573355032.db2.gz YDJYYGKSQWTGLC-MRVPVSSYSA-N 0 0 128.215 1.948 10 0 ADAERN CC(C)Cc1sncc1N 107118385 573355041 /nfs/dbraw/zinc/35/50/41/573355041.db2.gz WWTGBBSQTOKVOJ-UHFFFAOYSA-N 0 0 156.254 1.924 10 0 ADAERN CO[C@@H]1C[C@H]2CCC[C@@H]2CC1=O 238367690 573355049 /nfs/dbraw/zinc/35/50/49/573355049.db2.gz HYWNGLWVZYRUAO-NQMVMOMDSA-N 0 0 168.236 1.781 10 0 ADAERN OCCCc1ccc2oncc2c1 258010015 573355055 /nfs/dbraw/zinc/35/50/55/573355055.db2.gz MXQQIKFVGIUYAV-UHFFFAOYSA-N 0 0 177.203 1.753 10 0 ADAERN CCOCCC[C@H](NN)c1ccoc1 132960210 573355061 /nfs/dbraw/zinc/35/50/61/573355061.db2.gz WTYBSCFQQNDBGI-JTQLQIEISA-N 0 0 198.266 1.601 10 0 ADAERN COc1cc(N)c2c(c1)C(=O)CCC2 238367597 573355065 /nfs/dbraw/zinc/35/50/65/573355065.db2.gz BZXYKIYVVBDUBJ-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN [NH3+][C@H](CC1=CC=CC=CC=C1)C(=O)[O-] 308361958 573355069 /nfs/dbraw/zinc/35/50/69/573355069.db2.gz HKVJQWOMYUWLGE-SNVBAGLBSA-N 0 0 191.230 1.397 10 0 ADAERN COc1ccn2c(CO)c(C)nc2c1 238368246 573355072 /nfs/dbraw/zinc/35/50/72/573355072.db2.gz UHFYOWYNDFPGPS-UHFFFAOYSA-N 0 0 192.218 1.144 10 0 ADAERN COCc1cc(OC)cc(N)c1OC 258009905 573355075 /nfs/dbraw/zinc/35/50/75/573355075.db2.gz MTHRMOSGANPZCU-UHFFFAOYSA-N 0 0 197.234 1.432 10 0 ADAERN COCCc1noc([C@@H]2C[C@H]2C)n1 308361553 573355082 /nfs/dbraw/zinc/35/50/82/573355082.db2.gz MGIJSPCFJJNQLT-RNFRBKRXSA-N 0 0 182.223 1.382 10 0 ADAERN Cc1c[nH]c2c(CON)cccc12 258010262 573355083 /nfs/dbraw/zinc/35/50/83/573355083.db2.gz JAEAIQMLOQIPGD-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN Cc1nc(C=O)cc(C(C)C)n1 107120384 573355127 /nfs/dbraw/zinc/35/51/27/573355127.db2.gz CGFRSMOXGKERED-UHFFFAOYSA-N 0 0 164.208 1.721 10 0 ADAERN COc1c(C)ccn2ccnc12 238366791 573355132 /nfs/dbraw/zinc/35/51/32/573355132.db2.gz XNYSPRFJSZZKCY-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN CCN[C@H](CF)c1ccco1 107118584 573355146 /nfs/dbraw/zinc/35/51/46/573355146.db2.gz DPYLROPQSLCJED-SSDOTTSWSA-N 0 0 157.188 1.900 10 0 ADAERN Cn1cc(/C=C\CO)c(C(C)(C)C)n1 308361733 573355156 /nfs/dbraw/zinc/35/51/56/573355156.db2.gz XKQJLDDSHDPSSL-WAYWQWQTSA-N 0 0 194.278 1.723 10 0 ADAERN C[C@H](C[NH2+][C@H](C)[C@@H](C)C(=O)[O-])C1CC1 132841830 573355157 /nfs/dbraw/zinc/35/51/57/573355157.db2.gz WMXVGGUKFMKGHQ-IWSPIJDZSA-N 0 0 199.294 1.731 10 0 ADAERN Cc1nn(C)c2c(O)cccc12 107120098 573355167 /nfs/dbraw/zinc/35/51/67/573355167.db2.gz NZMNJQFAXWOOKT-UHFFFAOYSA-N 0 0 162.192 1.587 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)NCCO2 74537729 573355169 /nfs/dbraw/zinc/35/51/69/573355169.db2.gz ZYHFTYQHOBYYBJ-SSDOTTSWSA-N 0 0 179.219 1.544 10 0 ADAERN CO[C@@H]1C[C@@H]2CC(=O)C[C@@H]21 238366812 573355887 /nfs/dbraw/zinc/35/58/87/573355887.db2.gz YXCRUKFBMHBVMQ-APQOSEDMSA-N 0 0 140.182 1.000 10 0 ADAERN CC(C)C(=O)CN1CCSC1=O 86276912 573355191 /nfs/dbraw/zinc/35/51/91/573355191.db2.gz YPXZILVBGDMJKZ-UHFFFAOYSA-N 0 0 187.264 1.380 10 0 ADAERN O=C1CC[C@@H]2CC[C@@H]3C[C@@H]3[C@H]2N1 107120586 573355192 /nfs/dbraw/zinc/35/51/92/573355192.db2.gz CXUFMTMVGGRJCI-ODHVRURNSA-N 0 0 165.236 1.311 10 0 ADAERN C[C@@](O)(CO)CCc1ccccc1 132883368 573355194 /nfs/dbraw/zinc/35/51/94/573355194.db2.gz IBFBASBLNYRTPE-NSHDSACASA-N 0 0 180.247 1.363 10 0 ADAERN CCOc1cccc([C@H](O)CO)c1 132848855 573355200 /nfs/dbraw/zinc/35/52/00/573355200.db2.gz GHBUDTREQJUFBD-SNVBAGLBSA-N 0 0 182.219 1.111 10 0 ADAERN O=C(CCSC1CCCC1)N1CC1 308361570 573355216 /nfs/dbraw/zinc/35/52/16/573355216.db2.gz DUBLIIBLPYRYFX-UHFFFAOYSA-N 0 0 199.319 1.895 10 0 ADAERN COCCC(=O)CC1CC1 82999674 573355228 /nfs/dbraw/zinc/35/52/28/573355228.db2.gz WCDVLIRDUZEOFG-UHFFFAOYSA-N 0 0 142.198 1.392 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1cccnc1N 83002440 573355236 /nfs/dbraw/zinc/35/52/36/573355236.db2.gz QBTVASYHRFZTIE-HTQZYQBOSA-N 0 0 190.246 1.746 10 0 ADAERN CN[C@@H](CF)c1cncs1 107119802 573355251 /nfs/dbraw/zinc/35/52/51/573355251.db2.gz MYHKOZXZHBKRMS-YFKPBYRVSA-N 0 0 160.217 1.373 10 0 ADAERN CC(C)OCC(=O)C(C)C 86277024 573355264 /nfs/dbraw/zinc/35/52/64/573355264.db2.gz RZVFJMXSUGQGDD-UHFFFAOYSA-N 0 0 144.214 1.637 10 0 ADAERN COc1ccc([C@@H]2COC(=O)N2)o1 238366897 573355323 /nfs/dbraw/zinc/35/53/23/573355323.db2.gz YJTJESUTLJOWFK-YFKPBYRVSA-N 0 0 183.163 1.069 10 0 ADAERN O[C@H](CC1CC1)c1cnccn1 82999811 573355324 /nfs/dbraw/zinc/35/53/24/573355324.db2.gz FGXXBQXHOPBXRF-SECBINFHSA-N 0 0 164.208 1.310 10 0 ADAERN O[C@H](CC1CC1)c1cccnc1 82999776 573355330 /nfs/dbraw/zinc/35/53/30/573355330.db2.gz KCPVMIKQKJJYLR-SNVBAGLBSA-N 0 0 163.220 1.915 10 0 ADAERN CO[C@@H](C)C/C(Cl)=C/CO 238366806 573355331 /nfs/dbraw/zinc/35/53/31/573355331.db2.gz JJZTZNRJNAKSDE-PJGJZCPTSA-N 0 0 164.632 1.526 10 0 ADAERN Nc1cccc2c1OCCCN2 107120344 573355359 /nfs/dbraw/zinc/35/53/59/573355359.db2.gz ZOROMXYELKKCNN-UHFFFAOYSA-N 0 0 164.208 1.463 10 0 ADAERN CC(C)[C@]1(O)CCS[C@H]1C 107119893 573355365 /nfs/dbraw/zinc/35/53/65/573355365.db2.gz ZQGPHBWZXPRJSE-JGVFFNPUSA-N 0 0 160.282 1.899 10 0 ADAERN CC(C)(O)[C@H]1COc2cccc(O)c21 258010321 573355367 /nfs/dbraw/zinc/35/53/67/573355367.db2.gz JAVMIRLFINFSKP-ZETCQYMHSA-N 0 0 194.230 1.639 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1cncnc1 83001575 573355378 /nfs/dbraw/zinc/35/53/78/573355378.db2.gz PSPRLOUCXWACJO-VXNVDRBHSA-N 0 0 176.219 1.559 10 0 ADAERN O=C1Cc2ccccc2C2(CC2)N1 117626880 573355387 /nfs/dbraw/zinc/35/53/87/573355387.db2.gz ONYBIZKPMSPHLC-UHFFFAOYSA-N 0 0 173.215 1.348 10 0 ADAERN CC1(C)[C@H]2C[C@@H]1[C@@H]1NC(=O)[C@@H]1C2 117676458 573355401 /nfs/dbraw/zinc/35/54/01/573355401.db2.gz SFZASXHNQGKLND-WCTZXXKLSA-N 0 0 165.236 1.167 10 0 ADAERN Cc1noc(C)c1[C@@H](N)CF 107119017 573355402 /nfs/dbraw/zinc/35/54/02/573355402.db2.gz WLPRFIWSBZJVJQ-LURJTMIESA-N 0 0 158.176 1.261 10 0 ADAERN CNc1ccc2c(c1)CC[C@@H]2O 107120211 573355414 /nfs/dbraw/zinc/35/54/14/573355414.db2.gz MLYDVVMZZPLRJG-JTQLQIEISA-N 0 0 163.220 1.708 10 0 ADAERN Cc1nc(C=O)[nH]c1Br 82320773 573355418 /nfs/dbraw/zinc/35/54/18/573355418.db2.gz BIXDOYZZUYIJDY-UHFFFAOYSA-N 0 0 189.012 1.293 10 0 ADAERN CCNc1nccc(NCCCF)n1 308561439 573355429 /nfs/dbraw/zinc/35/54/29/573355429.db2.gz WFDPAXAJPDPDKR-UHFFFAOYSA-N 0 0 198.245 1.680 10 0 ADAERN CCc1c(N)ccc2ncoc12 107120105 573355451 /nfs/dbraw/zinc/35/54/51/573355451.db2.gz DWCVDGBSNMLWNC-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN COC[C@H](C)C(=O)NOC(C)(C)C 308357349 573355486 /nfs/dbraw/zinc/35/54/86/573355486.db2.gz LCLGKHCOZLYZNK-ZETCQYMHSA-N 0 0 189.255 1.115 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1c1cncnc1 83001576 573355493 /nfs/dbraw/zinc/35/54/93/573355493.db2.gz PSPRLOUCXWACJO-IONNQARKSA-N 0 0 176.219 1.559 10 0 ADAERN COc1nc(C(F)F)ccc1C=O 238367404 573355495 /nfs/dbraw/zinc/35/54/95/573355495.db2.gz OATFTGLGGRECOV-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CCC[C@H]([NH2+]C[C@H](C)C1CC1)C(=O)[O-] 132848691 573355499 /nfs/dbraw/zinc/35/54/99/573355499.db2.gz IRQYOWJTVAEGFM-WPRPVWTQSA-N 0 0 199.294 1.875 10 0 ADAERN CCc1cc(C(=O)OC)sn1 259426975 573355526 /nfs/dbraw/zinc/35/55/26/573355526.db2.gz LVVRIJLXLDBYKY-UHFFFAOYSA-N 0 0 171.221 1.492 10 0 ADAERN CSC[C@H](O)CC1CC1 82999865 573355531 /nfs/dbraw/zinc/35/55/31/573355531.db2.gz UPAGUFHEDKVTER-SSDOTTSWSA-N 0 0 146.255 1.510 10 0 ADAERN CCc1cc2c(n1C)CCC2=O 107120225 573355533 /nfs/dbraw/zinc/35/55/33/573355533.db2.gz XTVWMPRBDBLCEY-UHFFFAOYSA-N 0 0 163.220 1.716 10 0 ADAERN COc1nc(C(F)F)ccc1N 238367606 573355555 /nfs/dbraw/zinc/35/55/55/573355555.db2.gz YDASVPDQOWIERT-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1ccnn1C 83001842 573355595 /nfs/dbraw/zinc/35/55/95/573355595.db2.gz VZSFRTBAGSBCQG-YUMQZZPRSA-N 0 0 178.235 1.503 10 0 ADAERN CC(C)Cn1c(N)cc(=O)[nH]c1=S 117640363 573355599 /nfs/dbraw/zinc/35/55/99/573355599.db2.gz WVSXBUKCHYHRDX-UHFFFAOYSA-N 0 0 199.279 1.144 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1Cc1cnn(C)c1 83002844 573355601 /nfs/dbraw/zinc/35/56/01/573355601.db2.gz DDDPIWJBJFTGKY-PSASIEDQSA-N 0 0 192.262 1.578 10 0 ADAERN COc1cccc2c1[C@H]([C@H](C)O)CN2 258010100 573355602 /nfs/dbraw/zinc/35/56/02/573355602.db2.gz IYPDVNFMJXGJCH-YUMQZZPRSA-N 0 0 193.246 1.585 10 0 ADAERN CCCc1ccc([C@](C)(O)CO)cc1 132845088 573355611 /nfs/dbraw/zinc/35/56/11/573355611.db2.gz UTMKOYIARMWTTA-GFCCVEGCSA-N 0 0 194.274 1.839 10 0 ADAERN COC(=O)c1occ2cccc(N)c12 238367902 573355617 /nfs/dbraw/zinc/35/56/17/573355617.db2.gz SKJWKUKMWWIKKO-UHFFFAOYSA-N 0 0 191.186 1.802 10 0 ADAERN CCCC(C)(C)[NH2+]C[C@H](C)C(=O)[O-] 126118733 573355620 /nfs/dbraw/zinc/35/56/20/573355620.db2.gz GHGKGTBOWBTTID-QMMMGPOBSA-N 0 0 187.283 1.875 10 0 ADAERN Cn1nc([C@H]2CCCCO2)cc1CO 259425978 573355632 /nfs/dbraw/zinc/35/56/32/573355632.db2.gz YVGUFQQJILAUFT-SNVBAGLBSA-N 0 0 196.250 1.154 10 0 ADAERN CONCc1cc(F)cc(C)c1OC 258010632 573355635 /nfs/dbraw/zinc/35/56/35/573355635.db2.gz CVJBKUXARUPJLM-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN O[C@@H](CC1CC1)c1cnccn1 82999812 573355638 /nfs/dbraw/zinc/35/56/38/573355638.db2.gz FGXXBQXHOPBXRF-VIFPVBQESA-N 0 0 164.208 1.310 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@H](C(=O)[O-])[NH+](C)C 714680225 573355872 /nfs/dbraw/zinc/35/58/72/573355872.db2.gz QFPRIZKUXWRINY-FJXKBIBVSA-N 0 0 171.240 1.047 10 0 ADAERN COCCOC(=O)/C=C/C1CCC1 308361594 573355683 /nfs/dbraw/zinc/35/56/83/573355683.db2.gz MHNFYSNIGGJERB-AATRIKPKSA-N 0 0 184.235 1.532 10 0 ADAERN COCCc1noc([C@H]2C[C@@H]2C)n1 308361549 573355691 /nfs/dbraw/zinc/35/56/91/573355691.db2.gz MGIJSPCFJJNQLT-BQBZGAKWSA-N 0 0 182.223 1.382 10 0 ADAERN COCCOC(=O)/C=C\C1CCC1 308361596 573355701 /nfs/dbraw/zinc/35/57/01/573355701.db2.gz MHNFYSNIGGJERB-WAYWQWQTSA-N 0 0 184.235 1.532 10 0 ADAERN CC[C@H](C)N(CCO)c1nccn1C 308561130 573355877 /nfs/dbraw/zinc/35/58/77/573355877.db2.gz XJUYLAZTGXKYCR-VIFPVBQESA-N 0 0 197.282 1.017 10 0 ADAERN CCC[C@H](OC)[C@H](O)c1cccnc1 132845780 573355878 /nfs/dbraw/zinc/35/58/78/573355878.db2.gz SKZPQTLKHRTENE-WDEREUQCSA-N 0 0 195.262 1.930 10 0 ADAERN CCCCOC(=O)CNC1CC=CC1 132883056 573355723 /nfs/dbraw/zinc/35/57/23/573355723.db2.gz ZWRMXMAZWWUZBZ-UHFFFAOYSA-N 0 0 197.278 1.638 10 0 ADAERN C[C@@H](CCO)CP(C)(C)=O 238367667 573355740 /nfs/dbraw/zinc/35/57/40/573355740.db2.gz QZJWNWRBHJDXCF-ZETCQYMHSA-N 0 0 164.185 1.628 10 0 ADAERN CCc1c(C)nc2ccc(CO)cn12 74536313 573355742 /nfs/dbraw/zinc/35/57/42/573355742.db2.gz JUGQNTYOBZDYTO-UHFFFAOYSA-N 0 0 190.246 1.697 10 0 ADAERN C[C@@H]1CCNc2ncccc2N1 107120243 573355763 /nfs/dbraw/zinc/35/57/63/573355763.db2.gz ZKYLZRDORPCURT-SSDOTTSWSA-N 0 0 163.224 1.698 10 0 ADAERN CCn1ccnc1[C@H]1CCC(=O)[C@H]1C 83001686 573355790 /nfs/dbraw/zinc/35/57/90/573355790.db2.gz JLADCQOYNGGRCN-IUCAKERBSA-N 0 0 192.262 1.986 10 0 ADAERN COc1cc(N)c2cc[nH]c2n1 238368172 573355879 /nfs/dbraw/zinc/35/58/79/573355879.db2.gz BGXVSZXCVCJBSH-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN Cc1ccc(NC(=O)C=O)cc1Cl 258635523 573355808 /nfs/dbraw/zinc/35/58/08/573355808.db2.gz DKWICBZUFOAYHY-UHFFFAOYSA-N 0 0 197.621 1.786 10 0 ADAERN C[C@H]1CNc2cc(O)ccc2O1 107120471 573355843 /nfs/dbraw/zinc/35/58/43/573355843.db2.gz TWUQECLTGOGBRD-LURJTMIESA-N 0 0 165.192 1.585 10 0 ADAERN CC[C@@H](C)C[C@@](O)(CC)CO 132884013 573355845 /nfs/dbraw/zinc/35/58/45/573355845.db2.gz CIHQKHHDAVXOTB-BDAKNGLRSA-N 0 0 160.257 1.556 10 0 ADAERN COc1ccc(C2(O)CC2)c(C)c1 258009943 573355849 /nfs/dbraw/zinc/35/58/49/573355849.db2.gz MUUMMAKVABBWSX-UHFFFAOYSA-N 0 0 178.231 1.985 10 0 ADAERN CCn1nccc1[C@@H]1CCC(=O)[C@H]1C 83001681 573355868 /nfs/dbraw/zinc/35/58/68/573355868.db2.gz BIWYVWGLLMDJDG-DTWKUNHWSA-N 0 0 192.262 1.986 10 0 ADAERN O[C@@H](CC1CC1)c1ncccn1 82999814 573355884 /nfs/dbraw/zinc/35/58/84/573355884.db2.gz SGCUWFKDPSPEDN-QMMMGPOBSA-N 0 0 164.208 1.310 10 0 ADAERN CNc1cccc2c1C(=O)CC2 107119990 573355916 /nfs/dbraw/zinc/35/59/16/573355916.db2.gz DOXNOKRVDNCVTI-UHFFFAOYSA-N 0 0 161.204 1.857 10 0 ADAERN CNc1ccc(OC(C)=O)cc1 117655434 573355931 /nfs/dbraw/zinc/35/59/31/573355931.db2.gz BRWPSNHSOBHFQP-UHFFFAOYSA-N 0 0 165.192 1.654 10 0 ADAERN O[C@H](CC1CC1)c1ccncc1 82999778 573355938 /nfs/dbraw/zinc/35/59/38/573355938.db2.gz QEIWLOLSGUOBRM-SNVBAGLBSA-N 0 0 163.220 1.915 10 0 ADAERN CO[C@@H]1C[C@H]2CC(=O)C[C@@H]21 238367622 573355941 /nfs/dbraw/zinc/35/59/41/573355941.db2.gz YXCRUKFBMHBVMQ-MHSYXAOVSA-N 0 0 140.182 1.000 10 0 ADAERN CC[S@@](=O)[C@@H]1CCC(=O)[C@@H]1C 83002915 573355945 /nfs/dbraw/zinc/35/59/45/573355945.db2.gz WIGJKQQXOLLZCZ-QXHCQDJKSA-N 0 0 174.265 1.123 10 0 ADAERN CCc1cnccc1CC(C)(C)O 259426439 573355957 /nfs/dbraw/zinc/35/59/57/573355957.db2.gz TUROVHQRCCGUTH-UHFFFAOYSA-N 0 0 179.263 1.957 10 0 ADAERN CCn1ccnc1[C@@H]1CCC(=O)[C@H]1C 83001685 573355978 /nfs/dbraw/zinc/35/59/78/573355978.db2.gz JLADCQOYNGGRCN-DTWKUNHWSA-N 0 0 192.262 1.986 10 0 ADAERN CSCC[C@@H]1C(=O)CCN1C 238367440 573355979 /nfs/dbraw/zinc/35/59/79/573355979.db2.gz NDKVWVGBLJXJNU-SSDOTTSWSA-N 0 0 173.281 1.013 10 0 ADAERN COCCc1noc([C@H]2C[C@H]2C)n1 308361554 573355998 /nfs/dbraw/zinc/35/59/98/573355998.db2.gz MGIJSPCFJJNQLT-RQJHMYQMSA-N 0 0 182.223 1.382 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1nccn1C 83001850 573356002 /nfs/dbraw/zinc/35/60/02/573356002.db2.gz KIZCIZSZCUPZMC-YUMQZZPRSA-N 0 0 178.235 1.503 10 0 ADAERN CSC[C@@H](O)CC1CC1 82999866 573356018 /nfs/dbraw/zinc/35/60/18/573356018.db2.gz UPAGUFHEDKVTER-ZETCQYMHSA-N 0 0 146.255 1.510 10 0 ADAERN COc1cc(N)c2c(c1)NC(=O)CC2 238367538 573356021 /nfs/dbraw/zinc/35/60/21/573356021.db2.gz LELUSYNJTUMTRV-UHFFFAOYSA-N 0 0 192.218 1.162 10 0 ADAERN CC(=O)N(C)C[C@@H](O)c1cccs1 74560003 573356022 /nfs/dbraw/zinc/35/60/22/573356022.db2.gz NLJFCFGVYKKVDB-MRVPVSSYSA-N 0 0 199.275 1.260 10 0 ADAERN CN[C@H](CF)c1cncs1 107119804 573356030 /nfs/dbraw/zinc/35/60/30/573356030.db2.gz MYHKOZXZHBKRMS-RXMQYKEDSA-N 0 0 160.217 1.373 10 0 ADAERN CSCCc1cccc(=O)[nH]1 238368069 573356044 /nfs/dbraw/zinc/35/60/44/573356044.db2.gz ROZGKXRZCRETNJ-UHFFFAOYSA-N 0 0 169.249 1.280 10 0 ADAERN Cn1nc([C@@H]2CCCCO2)cc1CO 259425977 573356049 /nfs/dbraw/zinc/35/60/49/573356049.db2.gz YVGUFQQJILAUFT-JTQLQIEISA-N 0 0 196.250 1.154 10 0 ADAERN CCCC(C)(C)[NH2+]C[C@@H](C)C(=O)[O-] 126118487 573356050 /nfs/dbraw/zinc/35/60/50/573356050.db2.gz GHGKGTBOWBTTID-MRVPVSSYSA-N 0 0 187.283 1.875 10 0 ADAERN COc1cc(N)c2c(c1)C(=O)CC2 238367556 573356061 /nfs/dbraw/zinc/35/60/61/573356061.db2.gz DYLVQVKYBCJQCA-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN O[C@H](CC1CC1)C(F)(F)F 82999878 573356062 /nfs/dbraw/zinc/35/60/62/573356062.db2.gz TXIZQJPHMVYYFN-RXMQYKEDSA-N 0 0 154.131 1.710 10 0 ADAERN CCc1nccc(Cl)c1N 117658762 573356077 /nfs/dbraw/zinc/35/60/77/573356077.db2.gz FKLBVYYUJYYYEC-UHFFFAOYSA-N 0 0 156.616 1.880 10 0 ADAERN C[C@]1(CO)CCCC[C@H]1F 258637782 573356092 /nfs/dbraw/zinc/35/60/92/573356092.db2.gz YMULCAQFTLQDLJ-HTQZYQBOSA-N 0 0 146.205 1.897 10 0 ADAERN COc1cccc2c1[C@@H]([C@H](C)O)CN2 258010096 573356897 /nfs/dbraw/zinc/35/68/97/573356897.db2.gz IYPDVNFMJXGJCH-JGVFFNPUSA-N 0 0 193.246 1.585 10 0 ADAERN [NH3+]Cc1cc(Cc2ccco2)on1 259425964 573356914 /nfs/dbraw/zinc/35/69/14/573356914.db2.gz YUUQTODDRFZGGF-UHFFFAOYSA-N 0 0 178.191 1.317 10 0 ADAERN CCc1cnccc1[C@@H](O)COC 132854700 573356925 /nfs/dbraw/zinc/35/69/25/573356925.db2.gz OALJFQPJFLYNCG-JTQLQIEISA-N 0 0 181.235 1.324 10 0 ADAERN O[C@@H](CC1CC1)c1ccncc1 82999779 573356848 /nfs/dbraw/zinc/35/68/48/573356848.db2.gz QEIWLOLSGUOBRM-JTQLQIEISA-N 0 0 163.220 1.915 10 0 ADAERN CC(C)C(=O)CN1CCCCC1=O 86276809 573356849 /nfs/dbraw/zinc/35/68/49/573356849.db2.gz ZMJICDXMYKOFGM-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CCCCCO[C@@H]1C[C@H](O)[C@@H]1OC 132877066 573356851 /nfs/dbraw/zinc/35/68/51/573356851.db2.gz GIGAKYVFHYHINN-AEJSXWLSSA-N 0 0 188.267 1.341 10 0 ADAERN Cc1coc([C@@H](O)c2ncccn2)c1 715782394 573356869 /nfs/dbraw/zinc/35/68/69/573356869.db2.gz YMKMJWILTZOMND-SECBINFHSA-N 0 0 190.202 1.460 10 0 ADAERN Cc1nc(-c2c(C)nsc2N)n[nH]1 86292881 573356885 /nfs/dbraw/zinc/35/68/85/573356885.db2.gz YXZNBGXPZQIDPX-UHFFFAOYSA-N 0 0 195.251 1.127 10 0 ADAERN COCC[C@@H](C)OCC(C)(C)CO 162558680 573358280 /nfs/dbraw/zinc/35/82/80/573358280.db2.gz GRYDGERIYOCYAN-SECBINFHSA-N 0 0 190.283 1.447 10 0 ADAERN CSc1cc(C=O)no1 117667044 573358441 /nfs/dbraw/zinc/35/84/41/573358441.db2.gz PUSCFBFWVAGIDA-UHFFFAOYSA-N 0 0 143.167 1.209 10 0 ADAERN CC(C)c1nn2c(c1N)NCC2 107120889 573358268 /nfs/dbraw/zinc/35/82/68/573358268.db2.gz XHWQPOLGHFUNPX-UHFFFAOYSA-N 0 0 166.228 1.014 10 0 ADAERN COC1CN(CC(=O)C2CCCC2)C1 308561535 573358287 /nfs/dbraw/zinc/35/82/87/573358287.db2.gz XRAWYRCWQLBICX-UHFFFAOYSA-N 0 0 197.278 1.076 10 0 ADAERN C[C@@H](C[NH2+]CCCC(=O)[O-])C1CC1 132859064 573358735 /nfs/dbraw/zinc/35/87/35/573358735.db2.gz OZUQOIZUOUTYDF-QMMMGPOBSA-N 0 0 185.267 1.487 10 0 ADAERN CN[C@H](CF)c1c(C)noc1C 107123702 573358689 /nfs/dbraw/zinc/35/86/89/573358689.db2.gz IVAHZZWPMAYRLC-SSDOTTSWSA-N 0 0 172.203 1.521 10 0 ADAERN O=C1C[C@@]2(CCN1)CC2(Cl)Cl 117659332 573358692 /nfs/dbraw/zinc/35/86/92/573358692.db2.gz MBLQSPFCGBNHTM-LURJTMIESA-N 0 0 194.061 1.460 10 0 ADAERN CC(C)C(=O)NOC1CCCC1 74581179 573358697 /nfs/dbraw/zinc/35/86/97/573358697.db2.gz ACCOTPITEPRXFL-UHFFFAOYSA-N 0 0 171.240 1.633 10 0 ADAERN CO[C@@H]1C[C@@H]2C[C@@H](CC2=O)C1 238369033 573358700 /nfs/dbraw/zinc/35/87/00/573358700.db2.gz ZAPSSJJHGOFJNM-CSMHCCOUSA-N 0 0 154.209 1.391 10 0 ADAERN COC[C@H](C)NC(=O)/C=C/C(C)C 308362781 573358007 /nfs/dbraw/zinc/35/80/07/573358007.db2.gz MUVORQSTLLYIOR-CYNONHLPSA-N 0 0 185.267 1.350 10 0 ADAERN C[C@]1(CO)OCc2ccccc2O1 258300531 573358027 /nfs/dbraw/zinc/35/80/27/573358027.db2.gz SLNKOVLTMIKNNB-JTQLQIEISA-N 0 0 180.203 1.304 10 0 ADAERN NN[C@@H](C1=CCCCC1)[C@@H]1CCOC1 236184927 573358028 /nfs/dbraw/zinc/35/80/28/573358028.db2.gz QQPRLLJQERYGLW-MNOVXSKESA-N 0 0 196.294 1.355 10 0 ADAERN CC1(CCC(N)=O)CCCC1 117652657 573358030 /nfs/dbraw/zinc/35/80/30/573358030.db2.gz AJRRZJXNLHGIOZ-UHFFFAOYSA-N 0 0 155.241 1.832 10 0 ADAERN CCC[C@@H]([NH2+]C[C@@H](C)C1CC1)C(=O)[O-] 132848460 573358032 /nfs/dbraw/zinc/35/80/32/573358032.db2.gz IRQYOWJTVAEGFM-PSASIEDQSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[NH+]1CCCC1 86305737 573358040 /nfs/dbraw/zinc/35/80/40/573358040.db2.gz FGUAVKHTUWWYPK-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN CCC[C@@H]1C[C@@H](NOC)CCO1 132954499 573358042 /nfs/dbraw/zinc/35/80/42/573358042.db2.gz LSHVKSMUAQFLSC-DTWKUNHWSA-N 0 0 173.256 1.485 10 0 ADAERN COC1=C(OC)C=CC(C)(CO)C=C1 238368843 573358043 /nfs/dbraw/zinc/35/80/43/573358043.db2.gz BQWJVBIDDUOIBL-UHFFFAOYSA-N 0 0 196.246 1.615 10 0 ADAERN C[C@]1(C2CCCC2)OC[C@H](CO)O1 258010752 573358046 /nfs/dbraw/zinc/35/80/46/573358046.db2.gz ABYQDKMQWJWLTG-UWVGGRQHSA-N 0 0 186.251 1.301 10 0 ADAERN CC1=C/C(=C/c2ccc[nH]2)NC1=O 224899220 573358061 /nfs/dbraw/zinc/35/80/61/573358061.db2.gz FTYYRSMJNZXYKX-TWGQIWQCSA-N 0 0 174.203 1.432 10 0 ADAERN CC(=O)[C@H]1Cc2c(C)cccc2N1C 258293580 573358071 /nfs/dbraw/zinc/35/80/71/573358071.db2.gz 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573358321 /nfs/dbraw/zinc/35/83/21/573358321.db2.gz NGEHMSIZUUROBT-MRVPVSSYSA-N 0 0 187.283 1.574 10 0 ADAERN NOCCc1ccc2c(c1)COC2 258009901 573358323 /nfs/dbraw/zinc/35/83/23/573358323.db2.gz MSWWQKDCEKCYAN-UHFFFAOYSA-N 0 0 179.219 1.150 10 0 ADAERN CC[C@]1(CO)Cc2cccc(O)c2N1 258010232 573358328 /nfs/dbraw/zinc/35/83/28/573358328.db2.gz COODJLIKMKOMOV-LLVKDONJSA-N 0 0 193.246 1.501 10 0 ADAERN C[C@@H](CO)N(C)C(=O)CC1CCC1 231357463 573358348 /nfs/dbraw/zinc/35/83/48/573358348.db2.gz OBICQLGADAJSBL-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN CCc1cnccc1[C@H](O)COC 132854500 573358355 /nfs/dbraw/zinc/35/83/55/573358355.db2.gz OALJFQPJFLYNCG-SNVBAGLBSA-N 0 0 181.235 1.324 10 0 ADAERN Cc1ccc(F)c(O)c1CCO 258010057 573358360 /nfs/dbraw/zinc/35/83/60/573358360.db2.gz MZDPLGGLBORRPG-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[NH+]1CCCCC1 86305879 573358364 /nfs/dbraw/zinc/35/83/64/573358364.db2.gz JWHJYWYKRCFXHC-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN 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107121395 573358549 /nfs/dbraw/zinc/35/85/49/573358549.db2.gz ZCLFRSZTSZIWDR-HLTSFMKQSA-N 0 0 167.252 1.701 10 0 ADAERN Cn1ncc(C=O)c1C(C)(C)C 107120851 573358574 /nfs/dbraw/zinc/35/85/74/573358574.db2.gz SQKWPDCHINYYMM-UHFFFAOYSA-N 0 0 166.224 1.530 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCCC1(C)C 86307818 573358664 /nfs/dbraw/zinc/35/86/64/573358664.db2.gz XTJWKOLZLQPYTD-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN CCC[C@H](OC)[C@H](O)Cc1ccoc1 132871625 573358604 /nfs/dbraw/zinc/35/86/04/573358604.db2.gz ZQUSORBXCUXLNL-MNOVXSKESA-N 0 0 198.262 1.998 10 0 ADAERN OCc1ccccc1-c1ccno1 117639449 573358628 /nfs/dbraw/zinc/35/86/28/573358628.db2.gz SOQFWCMDTNUOCL-UHFFFAOYSA-N 0 0 175.187 1.834 10 0 ADAERN O=C1C[C@H](C(F)(F)F)CCO1 107121486 573358638 /nfs/dbraw/zinc/35/86/38/573358638.db2.gz UXRHRXWRKXOUQU-SCSAIBSYSA-N 0 0 168.114 1.502 10 0 ADAERN CCCOc1cnn([C@H](C)[C@H](C)O)c1 308560957 573358671 /nfs/dbraw/zinc/35/86/71/573358671.db2.gz VZXCHQWSPNWKDU-BDAKNGLRSA-N 0 0 198.266 1.614 10 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/nfs/dbraw/zinc/36/07/26/573360726.db2.gz WJVSLKHVCNMHKS-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN Nc1cnsc1C(F)(F)F 107121491 573359904 /nfs/dbraw/zinc/35/99/04/573359904.db2.gz HUTZNKBBGPVVMP-UHFFFAOYSA-N 0 0 168.143 1.744 10 0 ADAERN CCCNC(=O)[C@@H](O)CC(C)(C)C 308364364 573359905 /nfs/dbraw/zinc/35/99/05/573359905.db2.gz NNGBGTHVLURSQG-QMMMGPOBSA-N 0 0 187.283 1.310 10 0 ADAERN CC(C)[C@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258297968 573359909 /nfs/dbraw/zinc/35/99/09/573359909.db2.gz ULQSRZSSYAFSIL-VXNVDRBHSA-N 0 0 171.240 1.095 10 0 ADAERN CO[C@@H](C(=O)c1cn(C)cn1)C(C)C 308562545 573359922 /nfs/dbraw/zinc/35/99/22/573359922.db2.gz WVGGWEWMDAXKMC-SNVBAGLBSA-N 0 0 196.250 1.274 10 0 ADAERN NN[C@@H](C1=CCCCCC1)C(F)F 236186867 573359926 /nfs/dbraw/zinc/35/99/26/573359926.db2.gz YVPNEVWEEIAMTD-QMMMGPOBSA-N 0 0 190.237 1.974 10 0 ADAERN C[C@]1(CO)Cc2cc(O)ccc2N1 258007245 573359945 /nfs/dbraw/zinc/35/99/45/573359945.db2.gz CKVAIWMUQLJRIY-SNVBAGLBSA-N 0 0 179.219 1.111 10 0 ADAERN 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CCCCNC(=O)Cc1ccccn1 100316788 573359980 /nfs/dbraw/zinc/35/99/80/573359980.db2.gz PDWKWMBRXTZNGA-KTKRTIGZSA-N 0 0 192.262 1.460 10 0 ADAERN CC1=C[C@H](O)[C@H]([C@@H](C)CCO)CC1 238369541 573360009 /nfs/dbraw/zinc/36/00/09/573360009.db2.gz VSCFZVMHPNJVPJ-DCAQKATOSA-N 0 0 184.279 1.722 10 0 ADAERN Nc1oncc1-c1nccs1 258637518 573360017 /nfs/dbraw/zinc/36/00/17/573360017.db2.gz YJRSUDGHEDUAMB-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN C[C@H](C1CC1)[C@@H](NN)c1ccco1 133035699 573360059 /nfs/dbraw/zinc/36/00/59/573360059.db2.gz HBYFCEIWSMMAAW-GMSGAONNSA-N 0 0 180.251 1.830 10 0 ADAERN C[C@H]([NH3+])c1c[nH]c(COC2CCC2)n1 714917680 573360084 /nfs/dbraw/zinc/36/00/84/573360084.db2.gz HDPLLSQYVWGMAI-ZETCQYMHSA-N 0 0 195.266 1.499 10 0 ADAERN CCOC(=O)C(C)(C)[S@](=O)CC 196073362 573360776 /nfs/dbraw/zinc/36/07/76/573360776.db2.gz IIAILDALNSIBBK-GFCCVEGCSA-N 0 0 192.280 1.097 10 0 ADAERN CSCNc1ccccn1 238368633 573360105 /nfs/dbraw/zinc/36/01/05/573360105.db2.gz JWKDKMLCEJUHKJ-UHFFFAOYSA-N 0 0 154.238 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ADAERN CC[C@@H](O)CN[C@@H](C(F)F)C1CC1 308363498 573360605 /nfs/dbraw/zinc/36/06/05/573360605.db2.gz MXSXCXSLEQJJJK-HTQZYQBOSA-N 0 0 193.237 1.391 10 0 ADAERN CC1(C)CC[C@@H]2NC(=O)C[C@@H]2C1 107121403 573360626 /nfs/dbraw/zinc/36/06/26/573360626.db2.gz QDXQJTPZUWDBMA-SFYZADRCSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1CCc2c(c(N)nn2C)C1 107120642 573360641 /nfs/dbraw/zinc/36/06/41/573360641.db2.gz NDUVEFYFTNTBNZ-LURJTMIESA-N 0 0 165.240 1.127 10 0 ADAERN Cn1nc2c(c1N)CCCCC2 107120644 573360655 /nfs/dbraw/zinc/36/06/55/573360655.db2.gz QLUIBBAGUMIYCM-UHFFFAOYSA-N 0 0 165.240 1.271 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[NH+]1CCCCCC1 86305835 573360658 /nfs/dbraw/zinc/36/06/58/573360658.db2.gz TUCYBNKFTQNXJE-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN COC[C@@H](C)C[C@H](O)c1cn(C)cn1 308562277 573360662 /nfs/dbraw/zinc/36/06/62/573360662.db2.gz WPRMGIMLLMGYCT-WPRPVWTQSA-N 0 0 198.266 1.126 10 0 ADAERN COCCn1nccc1[C@@H](O)C(C)C 308562340 573360668 /nfs/dbraw/zinc/36/06/68/573360668.db2.gz 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/nfs/dbraw/zinc/36/30/38/573363038.db2.gz HDPLLSQYVWGMAI-SSDOTTSWSA-N 0 0 195.266 1.499 10 0 ADAERN CNc1nonc1-c1ccccc1 238361654 573362734 /nfs/dbraw/zinc/36/27/34/573362734.db2.gz XWRJPRUTEWSZGD-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN CCCCNC(=O)Cc1ocnc1C 74645393 573363050 /nfs/dbraw/zinc/36/30/50/573363050.db2.gz JZPXIPQUHUSETN-UHFFFAOYSA-N 0 0 196.250 1.442 10 0 ADAERN COC(=O)c1cc(F)c(Cl)cn1 238362078 573363051 /nfs/dbraw/zinc/36/30/51/573363051.db2.gz MJWYGXIWGPQHCZ-UHFFFAOYSA-N 0 0 189.573 1.661 10 0 ADAERN CN(C)c1ccc2c(c1)CC[C@H]2O 107125884 573362950 /nfs/dbraw/zinc/36/29/50/573362950.db2.gz VZIUATBPXDYCIQ-LLVKDONJSA-N 0 0 177.247 1.732 10 0 ADAERN COC[C@H](CO)c1ccccc1OC 258316872 573362954 /nfs/dbraw/zinc/36/29/54/573362954.db2.gz XMRAYEPXSBTWER-VIFPVBQESA-N 0 0 196.246 1.418 10 0 ADAERN O=C(c1ccc(O)cc1)N1CCC1 117681353 573362286 /nfs/dbraw/zinc/36/22/86/573362286.db2.gz APYYLTZBCALLJB-UHFFFAOYSA-N 0 0 177.203 1.238 10 0 ADAERN c1n[nH]cc1O[C@@H]1CCCCO1 258293741 573362287 /nfs/dbraw/zinc/36/22/87/573362287.db2.gz CFXZSYJBDPXRKG-MRVPVSSYSA-N 0 0 168.196 1.315 10 0 ADAERN CONCc1ccccc1[C@@H](C)O 259429210 573362310 /nfs/dbraw/zinc/36/23/10/573362310.db2.gz NROKVVDQQBYOLG-MRVPVSSYSA-N 0 0 181.235 1.391 10 0 ADAERN CCn1cncc1CSC 258293424 573362322 /nfs/dbraw/zinc/36/23/22/573362322.db2.gz UOBJNAMJZNPIJN-UHFFFAOYSA-N 0 0 156.254 1.766 10 0 ADAERN OC[C@@H]1CC=C(F)CC1 117701648 573362347 /nfs/dbraw/zinc/36/23/47/573362347.db2.gz FEBJPAIYDDWJAE-ZCFIWIBFSA-N 0 0 130.162 1.632 10 0 ADAERN CO[C@@H](C)CC[C@H](NN)c1ccoc1 132973743 573362364 /nfs/dbraw/zinc/36/23/64/573362364.db2.gz HGNLGFDWFDUPPK-WPRPVWTQSA-N 0 0 198.266 1.599 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[NH+]1CCCC1 86305741 573362382 /nfs/dbraw/zinc/36/23/82/573362382.db2.gz FGUAVKHTUWWYPK-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN C/C=C/[C@@H]1[C@@H](C)C(=O)[C@@H]1OC 238360525 573362383 /nfs/dbraw/zinc/36/23/83/573362383.db2.gz TZQKQZIIYBYSFI-UMPATPDTSA-N 0 0 154.209 1.413 10 0 ADAERN CCCCc1nc(N)c(C)c(=O)[nH]1 86314819 573362394 /nfs/dbraw/zinc/36/23/94/573362394.db2.gz QKCNHOYTFOEDTJ-UHFFFAOYSA-N 0 0 181.239 1.003 10 0 ADAERN CCO[C@H]1C[C@H](NOC)C1(C)C 132976006 573362410 /nfs/dbraw/zinc/36/24/10/573362410.db2.gz VKVNYCVSJZYTLX-YUMQZZPRSA-N 0 0 173.256 1.341 10 0 ADAERN Cc1c[nH]c(=O)c2c(N)cccc12 258007773 573362416 /nfs/dbraw/zinc/36/24/16/573362416.db2.gz FGGCCQFECKAURZ-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN CCONCc1ccccc1N 133042057 573362431 /nfs/dbraw/zinc/36/24/31/573362431.db2.gz SFDTZFCJWJRWGA-UHFFFAOYSA-N 0 0 166.224 1.310 10 0 ADAERN CCCCc1noc(COCC)n1 308368626 573362432 /nfs/dbraw/zinc/36/24/32/573362432.db2.gz PGJGICFCTRMUCL-UHFFFAOYSA-N 0 0 184.239 1.949 10 0 ADAERN Cc1sccc1NN 117745702 573362437 /nfs/dbraw/zinc/36/24/37/573362437.db2.gz OOYQZLHTIBRQNA-UHFFFAOYSA-N 0 0 128.200 1.342 10 0 ADAERN CCn1cc([C@@H](C)NOC)cn1 132983144 573362441 /nfs/dbraw/zinc/36/24/41/573362441.db2.gz QZAUHYIVCMSGCO-SSDOTTSWSA-N 0 0 169.228 1.115 10 0 ADAERN OC[C@H]1CC=C(F)CC1 117701646 573362445 /nfs/dbraw/zinc/36/24/45/573362445.db2.gz FEBJPAIYDDWJAE-LURJTMIESA-N 0 0 130.162 1.632 10 0 ADAERN CC[C@H](C)NC(=O)CCc1cocn1 74643657 573362460 /nfs/dbraw/zinc/36/24/60/573362460.db2.gz WEZUEAYZXWOZJJ-QMMMGPOBSA-N 0 0 196.250 1.522 10 0 ADAERN OCC(F)(F)Cc1ccccc1 117762546 573362465 /nfs/dbraw/zinc/36/24/65/573362465.db2.gz CGCZJXZSCLWGEQ-UHFFFAOYSA-N 0 0 172.174 1.857 10 0 ADAERN COC1(OC)C[C@H](C)C(=O)[C@H]1C 238362340 573362480 /nfs/dbraw/zinc/36/24/80/573362480.db2.gz YFTYXUWTVJDFMC-NKWVEPMBSA-N 0 0 172.224 1.221 10 0 ADAERN COCCc1nc2n(n1)CC[C@H](C)C2 258300183 573362490 /nfs/dbraw/zinc/36/24/90/573362490.db2.gz JJQJEUBMXDUGSL-QMMMGPOBSA-N 0 0 195.266 1.049 10 0 ADAERN C[C@H](C1CC1)[C@H](NN)c1cncnc1 129743706 573362655 /nfs/dbraw/zinc/36/26/55/573362655.db2.gz QWDSVAMDPHILNA-XCBNKYQSSA-N 0 0 192.266 1.027 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[NH+]1CCCCC1 86305880 573362519 /nfs/dbraw/zinc/36/25/19/573362519.db2.gz JWHJYWYKRCFXHC-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN COc1ccc(N)c(C(C)C)cc1=O 238362185 573362543 /nfs/dbraw/zinc/36/25/43/573362543.db2.gz AJPJJYLZIWNIOP-UHFFFAOYSA-N 0 0 193.246 1.761 10 0 ADAERN O=C(OCC(F)(F)F)c1ccno1 308368096 573362977 /nfs/dbraw/zinc/36/29/77/573362977.db2.gz JBPNBXMSRCRLDG-UHFFFAOYSA-N 0 0 195.096 1.394 10 0 ADAERN COc1ccc2c(c1)COC[C@H]2O 238361586 573362553 /nfs/dbraw/zinc/36/25/53/573362553.db2.gz MSJOEHLUGDJFGL-SNVBAGLBSA-N 0 0 180.203 1.259 10 0 ADAERN C[C@@H](C1CC1)[C@H](NN)c1ccco1 133035082 573362570 /nfs/dbraw/zinc/36/25/70/573362570.db2.gz HBYFCEIWSMMAAW-XVKPBYJWSA-N 0 0 180.251 1.830 10 0 ADAERN C[C@@H](C1CC1)[C@@H](NN)c1cncnc1 129743922 573362582 /nfs/dbraw/zinc/36/25/82/573362582.db2.gz QWDSVAMDPHILNA-OIBJUYFYSA-N 0 0 192.266 1.027 10 0 ADAERN CCCn1cccc1CNOC 133001381 573362588 /nfs/dbraw/zinc/36/25/88/573362588.db2.gz FCMBPGRHVKDLHP-UHFFFAOYSA-N 0 0 168.240 1.549 10 0 ADAERN CC(C)c1ccccc1NC(=O)C=O 258638259 573362597 /nfs/dbraw/zinc/36/25/97/573362597.db2.gz DVXJAMAKSJLOMO-UHFFFAOYSA-N 0 0 191.230 1.947 10 0 ADAERN CCC[C@@](O)(c1nccn1C)C1CC1 308562786 573362599 /nfs/dbraw/zinc/36/25/99/573362599.db2.gz WZBLJZWYUIRRCW-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN COC[C@H](C)C[C@@H](NN)c1ccoc1 132998174 573362617 /nfs/dbraw/zinc/36/26/17/573362617.db2.gz BQVYBAKECZANTB-PSASIEDQSA-N 0 0 198.266 1.457 10 0 ADAERN COc1ccc(O)c([S@@](C)=O)c1 238380133 573362622 /nfs/dbraw/zinc/36/26/22/573362622.db2.gz ZXEUVLWTDDODLD-GFCCVEGCSA-N 0 0 186.232 1.138 10 0 ADAERN C[C@H](O)c1c[nH]c2c(O)cccc12 258007361 573362631 /nfs/dbraw/zinc/36/26/31/573362631.db2.gz CMVGTAPBHRXYCF-LURJTMIESA-N 0 0 177.203 1.927 10 0 ADAERN CCN[C@@H](CF)c1cncs1 107124824 573362637 /nfs/dbraw/zinc/36/26/37/573362637.db2.gz DTCVNPZWWXSQKJ-LURJTMIESA-N 0 0 174.244 1.763 10 0 ADAERN CCCNC(=O)CCc1cocn1 74643645 573362643 /nfs/dbraw/zinc/36/26/43/573362643.db2.gz DXDVLMBBJDBXSE-UHFFFAOYSA-N 0 0 182.223 1.133 10 0 ADAERN Cc1cccc2c1[C@H](CON)CO2 258007261 573362646 /nfs/dbraw/zinc/36/26/46/573362646.db2.gz CLBYZVPELXSNRG-QMMMGPOBSA-N 0 0 179.219 1.361 10 0 ADAERN CC1CC[NH+]([C@H](C)[C@H](C)C(=O)[O-])CC1 86305724 573362652 /nfs/dbraw/zinc/36/26/52/573362652.db2.gz KSKWUERUPMOYDC-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN COc1ccc2c(c1C)C(=O)O[C@H]2O 238361651 573362662 /nfs/dbraw/zinc/36/26/62/573362662.db2.gz MKRAFLBYEJBHDX-SECBINFHSA-N 0 0 194.186 1.165 10 0 ADAERN CCCCc1nc2c(c(=O)[nH]1)CCC2 86314913 573362663 /nfs/dbraw/zinc/36/26/63/573362663.db2.gz BZEJGYOEGNASEH-UHFFFAOYSA-N 0 0 192.262 1.601 10 0 ADAERN Cc1ncc(NCC(C)(C)F)cn1 107129505 573362692 /nfs/dbraw/zinc/36/26/92/573362692.db2.gz VKBIJWJIJWZPAI-UHFFFAOYSA-N 0 0 183.230 1.945 10 0 ADAERN CNc1ncc(-c2cc[nH]c2)cn1 259428906 573362719 /nfs/dbraw/zinc/36/27/19/573362719.db2.gz XJYYHAZWZGNMCR-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CCC[C@@H](N[C@@H](C)C(=O)OC)C1CC1 308562581 573362763 /nfs/dbraw/zinc/36/27/63/573362763.db2.gz WWFHFOIRAKGHCB-WCBMZHEXSA-N 0 0 199.294 1.716 10 0 ADAERN CCN(C)C(=S)NCc1ccco1 308368954 573362797 /nfs/dbraw/zinc/36/27/97/573362797.db2.gz PKRSPUFMIGWDPO-UHFFFAOYSA-N 0 0 198.291 1.606 10 0 ADAERN CCc1ccc(OC)c(C(N)N)c1 259427671 573362802 /nfs/dbraw/zinc/36/28/02/573362802.db2.gz PHVFZHMQZRHBCD-UHFFFAOYSA-N 0 0 180.251 1.174 10 0 ADAERN CCN(Cc1cc(C)ccc1N)OC 308562623 573362805 /nfs/dbraw/zinc/36/28/05/573362805.db2.gz WYDVWLHQFJSGTN-UHFFFAOYSA-N 0 0 194.278 1.961 10 0 ADAERN CC[C@H](Cn1cncc1C=O)OC 308369263 573362998 /nfs/dbraw/zinc/36/29/98/573362998.db2.gz JRDPADUYYPVSGW-SECBINFHSA-N 0 0 182.223 1.121 10 0 ADAERN CC(C)C1(c2oc(=O)[nH]c2N)CCC1 686128241 573362839 /nfs/dbraw/zinc/36/28/39/573362839.db2.gz ITVWYAYOSSYWGN-SSDOTTSWSA-N 0 0 196.250 1.898 10 0 ADAERN CCC[C@@H](N[C@H](C)C(=O)OC)C1CC1 308562578 573362809 /nfs/dbraw/zinc/36/28/09/573362809.db2.gz WWFHFOIRAKGHCB-PSASIEDQSA-N 0 0 199.294 1.716 10 0 ADAERN O=Cc1cc(C(F)(F)F)sn1 107127873 573362826 /nfs/dbraw/zinc/36/28/26/573362826.db2.gz GPBZFFFCWXDQHR-UHFFFAOYSA-N 0 0 181.138 1.974 10 0 ADAERN CN(C)c1ccc2c(c1)CC[C@@H]2O 107125882 573362831 /nfs/dbraw/zinc/36/28/31/573362831.db2.gz VZIUATBPXDYCIQ-NSHDSACASA-N 0 0 177.247 1.732 10 0 ADAERN CC[N@H+](C)[C@@H](C)[C@@H](C)C(=O)[O-] 86306122 573362857 /nfs/dbraw/zinc/36/28/57/573362857.db2.gz LPSMBFPKJCTBMU-RQJHMYQMSA-N 0 0 159.229 1.047 10 0 ADAERN C[S@](=O)CCCOc1ccccc1 196774214 573362881 /nfs/dbraw/zinc/36/28/81/573362881.db2.gz YRWAJSRWWMEMFC-ZDUSSCGKSA-N 0 0 198.287 1.834 10 0 ADAERN Cc1nc(C(F)(F)F)c(C=O)o1 107126574 573362891 /nfs/dbraw/zinc/36/28/91/573362891.db2.gz MMODGUJRJNWAOG-UHFFFAOYSA-N 0 0 179.097 1.814 10 0 ADAERN COC1(OC)C[C@@H](C)C(=O)[C@@H]1C 238361887 573362906 /nfs/dbraw/zinc/36/29/06/573362906.db2.gz YFTYXUWTVJDFMC-RQJHMYQMSA-N 0 0 172.224 1.221 10 0 ADAERN CCON[C@H](C)c1cnn(C)c1 133039422 573363869 /nfs/dbraw/zinc/36/38/69/573363869.db2.gz FWGRKOZMOLCZDY-SSDOTTSWSA-N 0 0 169.228 1.022 10 0 ADAERN Cc1nc(C)c(CC(=O)NC2CC2)o1 74645843 573363823 /nfs/dbraw/zinc/36/38/23/573363823.db2.gz ZENUEMCBLXUNNR-UHFFFAOYSA-N 0 0 194.234 1.113 10 0 ADAERN CCN(CC)C(=O)CCc1cocn1 74643822 573363877 /nfs/dbraw/zinc/36/38/77/573363877.db2.gz BUPQXGWHTKNSNV-UHFFFAOYSA-N 0 0 196.250 1.476 10 0 ADAERN CCCCNC(=O)CCc1cocn1 74643653 573364971 /nfs/dbraw/zinc/36/49/71/573364971.db2.gz MJCWMFLILUBKQI-UHFFFAOYSA-N 0 0 196.250 1.524 10 0 ADAERN c1cn2ccc3cnnc(o1)c32 39081235 573364457 /nfs/dbraw/zinc/36/44/57/573364457.db2.gz KUYLSXQXWPFKJV-UHFFFAOYSA-N 0 0 159.148 1.476 10 0 ADAERN Cc1nc(CCC(=O)NC2CC2)co1 74644101 573364484 /nfs/dbraw/zinc/36/44/84/573364484.db2.gz WXZRQPZOKOVKIC-UHFFFAOYSA-N 0 0 194.234 1.194 10 0 ADAERN COCOc1c(O)ccc2c1CCC2 238361103 573364490 /nfs/dbraw/zinc/36/44/90/573364490.db2.gz KUQILRYEHGGWOH-UHFFFAOYSA-N 0 0 194.230 1.864 10 0 ADAERN CCN[C@H](CF)c1cncs1 107124827 573364492 /nfs/dbraw/zinc/36/44/92/573364492.db2.gz DTCVNPZWWXSQKJ-ZCFIWIBFSA-N 0 0 174.244 1.763 10 0 ADAERN Nc1ccccc1OC1CSC1 107128505 573364589 /nfs/dbraw/zinc/36/45/89/573364589.db2.gz MZVQNKJVOOVWGN-UHFFFAOYSA-N 0 0 181.260 1.763 10 0 ADAERN CC[C@H](CO)C1(C(C)C)COC1 258492890 573364590 /nfs/dbraw/zinc/36/45/90/573364590.db2.gz CXFZIGYDRAGFJV-SECBINFHSA-N 0 0 172.268 1.678 10 0 ADAERN C/C=C\CCNC(=O)[C@@]1(C)CCCO1 308369882 573364599 /nfs/dbraw/zinc/36/45/99/573364599.db2.gz AEBNXIZOVFHFLF-DLRQAJBASA-N 0 0 197.278 1.638 10 0 ADAERN Cc1ncoc1CC(=O)NCC(C)C 74645395 573364607 /nfs/dbraw/zinc/36/46/07/573364607.db2.gz TXZQVBLNKHZWLX-UHFFFAOYSA-N 0 0 196.250 1.298 10 0 ADAERN CCn1nccc1[C@@H]1CC[C@@H](O)[C@@H]1C 83035827 573364623 /nfs/dbraw/zinc/36/46/23/573364623.db2.gz LRMSTSMPAKJXAH-FXPVBKGRSA-N 0 0 194.278 1.777 10 0 ADAERN CC(=O)OC/C=C/c1cccc(N)c1 308368450 573364655 /nfs/dbraw/zinc/36/46/55/573364655.db2.gz NBQDXVMBOFTJPU-HWKANZROSA-N 0 0 191.230 1.845 10 0 ADAERN C[NH+]1CCC(/C=C\CC(=O)[O-])CC1 258316259 573364657 /nfs/dbraw/zinc/36/46/57/573364657.db2.gz VSQWPVUCRKLKGL-IHWYPQMZSA-N 0 0 183.251 1.359 10 0 ADAERN COC(=O)c1nccc(F)c1Cl 238362271 573364663 /nfs/dbraw/zinc/36/46/63/573364663.db2.gz HSCDIHHTTQKRBB-UHFFFAOYSA-N 0 0 189.573 1.661 10 0 ADAERN CCCc1c(N)noc1C 86326078 573364665 /nfs/dbraw/zinc/36/46/65/573364665.db2.gz LQQVZSXMAHJQSR-UHFFFAOYSA-N 0 0 140.186 1.518 10 0 ADAERN O=C(OCC(F)(F)F)[C@@H]1CCCO1 308369299 573364693 /nfs/dbraw/zinc/36/46/93/573364693.db2.gz JWSFMLOPPMJKJX-YFKPBYRVSA-N 0 0 198.140 1.271 10 0 ADAERN COC[C@H](N)c1noc(C(C)(C)C)n1 129766698 573364698 /nfs/dbraw/zinc/36/46/98/573364698.db2.gz CPLGGTJGWPEZOL-LURJTMIESA-N 0 0 199.254 1.013 10 0 ADAERN CCCC(CCC)C(=O)NCC(C)=O 132935528 573364709 /nfs/dbraw/zinc/36/47/09/573364709.db2.gz FWNBBGJUFZIWPM-UHFFFAOYSA-N 0 0 199.294 1.908 10 0 ADAERN CO[C@H]1CSC(C)(C)CC1=O 238361787 573364731 /nfs/dbraw/zinc/36/47/31/573364731.db2.gz UIGOAJDXSZLYAL-ZETCQYMHSA-N 0 0 174.265 1.486 10 0 ADAERN CCN(CC)C(=O)Cc1ocnc1C 74645566 573364742 /nfs/dbraw/zinc/36/47/42/573364742.db2.gz DIWRWEDIOWOAKT-UHFFFAOYSA-N 0 0 196.250 1.394 10 0 ADAERN O=Cc1cnc2c(c1)CSCC2 107127012 573364749 /nfs/dbraw/zinc/36/47/49/573364749.db2.gz XUVBWSDTEMQVRI-UHFFFAOYSA-N 0 0 179.244 1.683 10 0 ADAERN COC(=O)C1(C(=O)C2CCC2)CCC1 259090149 573364756 /nfs/dbraw/zinc/36/47/56/573364756.db2.gz IXLRFEHRZMWIRW-UHFFFAOYSA-N 0 0 196.246 1.699 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@H]1Cc1cnn(C)c1 83037080 573364763 /nfs/dbraw/zinc/36/47/63/573364763.db2.gz KHHQAWLQQLHXEC-LSJOCFKGSA-N 0 0 194.278 1.370 10 0 ADAERN COc1nc(C(F)F)c(N)cc1N 238362075 573364766 /nfs/dbraw/zinc/36/47/66/573364766.db2.gz MDSGUPKDSKQYID-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN CC[C@@H](C)C[C@H](NN)c1cncnc1 129775766 573364791 /nfs/dbraw/zinc/36/47/91/573364791.db2.gz WAFZVVLWDRERNP-SCZZXKLOSA-N 0 0 194.282 1.417 10 0 ADAERN Cn1nc(N)c2c1CC[C@]2(C)F 258492787 573364803 /nfs/dbraw/zinc/36/48/03/573364803.db2.gz KGZFYAWSUUTDRI-QMMMGPOBSA-N 0 0 169.203 1.133 10 0 ADAERN COc1nc(C(F)F)c(F)cc1O 238361215 573364805 /nfs/dbraw/zinc/36/48/05/573364805.db2.gz KNBUIUMUGLLTQV-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CO[C@@H](C(C)C)[C@H](O)C1CCC1 133003984 573364809 /nfs/dbraw/zinc/36/48/09/573364809.db2.gz OBSWGJQBMJVXDW-ZJUUUORDSA-N 0 0 172.268 1.818 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@H](C2CCC2)C[NH2+]1 258316308 573364814 /nfs/dbraw/zinc/36/48/14/573364814.db2.gz VTDIPYGNYGDTID-WCBMZHEXSA-N 0 0 183.251 1.239 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@H]1c1cnccn1 83035967 573364822 /nfs/dbraw/zinc/36/48/22/573364822.db2.gz LWRFJNQAMLOKTL-XKSSXDPKSA-N 0 0 178.235 1.351 10 0 ADAERN CO[C@H](C)CC[C@@H](NN)c1ccoc1 132974400 573364825 /nfs/dbraw/zinc/36/48/25/573364825.db2.gz HGNLGFDWFDUPPK-PSASIEDQSA-N 0 0 198.266 1.599 10 0 ADAERN CCCCc1nc(C)nc(N)n1 86324622 573364838 /nfs/dbraw/zinc/36/48/38/573364838.db2.gz ALNZPBLJYLOVAA-UHFFFAOYSA-N 0 0 166.228 1.105 10 0 ADAERN CCCCNC(=O)[C@@H](O)CCCC 308368267 573364850 /nfs/dbraw/zinc/36/48/50/573364850.db2.gz OYKMWZIQFFIVAQ-VIFPVBQESA-N 0 0 187.283 1.454 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@@H](C2CCC2)C[NH2+]1 258316305 573364851 /nfs/dbraw/zinc/36/48/51/573364851.db2.gz VTDIPYGNYGDTID-PSASIEDQSA-N 0 0 183.251 1.239 10 0 ADAERN CC[C@@H](Cn1cncc1C=O)OC 308369264 573365344 /nfs/dbraw/zinc/36/53/44/573365344.db2.gz JRDPADUYYPVSGW-VIFPVBQESA-N 0 0 182.223 1.121 10 0 ADAERN CSCC[C@@H]1CCNC(=S)O1 238361158 573364887 /nfs/dbraw/zinc/36/48/87/573364887.db2.gz NSIYBCWSXONRJQ-LURJTMIESA-N 0 0 191.321 1.403 10 0 ADAERN CC[C@H]1CC[C@@H](O)[C@@H]1C 83035435 573364911 /nfs/dbraw/zinc/36/49/11/573364911.db2.gz NHQWDYCFVHJTJN-GJMOJQLCSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@]1(CO)CCCCCO1 258492762 573364934 /nfs/dbraw/zinc/36/49/34/573364934.db2.gz KFTFRIGBKNAARQ-MRVPVSSYSA-N 0 0 144.214 1.328 10 0 ADAERN C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](C)C(=O)[O-])[C@@H]1C 308563946 573364946 /nfs/dbraw/zinc/36/49/46/573364946.db2.gz GXTDOFXDAAPFFB-SGIHWFKDSA-N 0 0 199.294 1.683 10 0 ADAERN CCn1c(=NN)[nH]c2cccc(O)c21 258318466 573364950 /nfs/dbraw/zinc/36/49/50/573364950.db2.gz UEJQOYWEJFXKTR-UHFFFAOYSA-N 0 0 192.222 1.047 10 0 ADAERN COCC(=O)CCCCSC 129611186 573364982 /nfs/dbraw/zinc/36/49/82/573364982.db2.gz DMHYRRIARQULDM-UHFFFAOYSA-N 0 0 176.281 1.735 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@@H]1C 83035430 573364989 /nfs/dbraw/zinc/36/49/89/573364989.db2.gz NHQWDYCFVHJTJN-BWZBUEFSSA-N 0 0 128.215 1.803 10 0 ADAERN CO[C@@H]1CC2(CCCC2)CC1=O 238361316 573365010 /nfs/dbraw/zinc/36/50/10/573365010.db2.gz MUTQNFCVGKCHPF-SECBINFHSA-N 0 0 168.236 1.925 10 0 ADAERN CCOCC[C@@H](NN)c1ccoc1 132991644 573365047 /nfs/dbraw/zinc/36/50/47/573365047.db2.gz IJXDMGRXUHKSKB-SECBINFHSA-N 0 0 184.239 1.211 10 0 ADAERN Cc1nc(C)c(CC(=O)NC(C)C)o1 74645841 573365053 /nfs/dbraw/zinc/36/50/53/573365053.db2.gz AGRDJOQBCZWJIJ-UHFFFAOYSA-N 0 0 196.250 1.359 10 0 ADAERN CCn1ccnc1[C@@H]1CC[C@H](O)[C@@H]1C 83036620 573365060 /nfs/dbraw/zinc/36/50/60/573365060.db2.gz QVZNYEMMTUMZKO-BBBLOLIVSA-N 0 0 194.278 1.777 10 0 ADAERN CCCNC(=O)Cc1ocnc1C 74645385 573365068 /nfs/dbraw/zinc/36/50/68/573365068.db2.gz MLGHNYDCUZNWOG-UHFFFAOYSA-N 0 0 182.223 1.052 10 0 ADAERN COc1ccc(N)c(C(F)F)n1 238362227 573365076 /nfs/dbraw/zinc/36/50/76/573365076.db2.gz GBFFQRNMURPTFJ-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN CC(C)CNC(=O)CCc1cocn1 74643654 573365092 /nfs/dbraw/zinc/36/50/92/573365092.db2.gz BYUNTDWKGWJKJB-UHFFFAOYSA-N 0 0 196.250 1.379 10 0 ADAERN COc1nc(OC)c2ccsc2n1 238380127 573365106 /nfs/dbraw/zinc/36/51/06/573365106.db2.gz OOXTWLQKRCBBKR-UHFFFAOYSA-N 0 0 196.231 1.709 10 0 ADAERN CCC[C@@H]([NH2+]C1CC=CC1)C(=O)[O-] 132933801 573365127 /nfs/dbraw/zinc/36/51/27/573365127.db2.gz APIBKWUOSUZMEX-SECBINFHSA-N 0 0 183.251 1.548 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1C1CC1 83035610 573365134 /nfs/dbraw/zinc/36/51/34/573365134.db2.gz VYNUAKFYJAXQBD-XVYDVKMFSA-N 0 0 140.226 1.803 10 0 ADAERN CC[C@@H](CNc1ccc[nH]1)C(=O)OC 259089995 573365138 /nfs/dbraw/zinc/36/51/38/573365138.db2.gz VYPKEXNTURPKIR-QMMMGPOBSA-N 0 0 196.250 1.626 10 0 ADAERN NC(=O)Cc1c[nH]c2sccc12 117722934 573365176 /nfs/dbraw/zinc/36/51/76/573365176.db2.gz LDHPXUZXZCXWSL-UHFFFAOYSA-N 0 0 180.232 1.257 10 0 ADAERN COc1ccc2c(c1C)OC[C@H]2[NH3+] 238361075 573365183 /nfs/dbraw/zinc/36/51/83/573365183.db2.gz BFYUKKKZYVZDLZ-MRVPVSSYSA-N 0 0 179.219 1.396 10 0 ADAERN CNc1nn(CC(C)C)c(=O)s1 238360612 573365199 /nfs/dbraw/zinc/36/51/99/573365199.db2.gz SCUNUYSTANEALG-UHFFFAOYSA-N 0 0 187.268 1.003 10 0 ADAERN CNC(=S)NC(=O)CCC(C)C 238361733 573365364 /nfs/dbraw/zinc/36/53/64/573365364.db2.gz PEPVELJRVQGVQG-UHFFFAOYSA-N 0 0 188.296 1.043 10 0 ADAERN Cc1ccccc1C1(O)CN(C)C1 107125927 573365234 /nfs/dbraw/zinc/36/52/34/573365234.db2.gz DJQAVFQPVDKVEA-UHFFFAOYSA-N 0 0 177.247 1.128 10 0 ADAERN CC[S@@](=O)CC(C)C 112964125 573365266 /nfs/dbraw/zinc/36/52/66/573365266.db2.gz LPWWDODHRGNZLQ-QMMMGPOBSA-N 0 0 134.244 1.411 10 0 ADAERN COC[C@@H](CO)c1ccc(C)o1 258008685 573365282 /nfs/dbraw/zinc/36/52/82/573365282.db2.gz FFJPIHAATSIKCF-MRVPVSSYSA-N 0 0 170.208 1.310 10 0 ADAERN OC[C@H]1CSc2ccccc2N1 107128518 573365295 /nfs/dbraw/zinc/36/52/95/573365295.db2.gz NGFIGELDIKBQOT-ZETCQYMHSA-N 0 0 181.260 1.565 10 0 ADAERN CNC(=O)Nc1ccc2ncoc2c1 258639905 573367690 /nfs/dbraw/zinc/36/76/90/573367690.db2.gz FWAVVTABJTYWCQ-UHFFFAOYSA-N 0 0 191.190 1.579 10 0 ADAERN CC(C)(C)[C@H]1CC[NH2+]C[C@H]1C(=O)[O-] 107131091 573367708 /nfs/dbraw/zinc/36/77/08/573367708.db2.gz TWFQKQSKCDIFGH-SFYZADRCSA-N 0 0 185.267 1.343 10 0 ADAERN CCc1ccc2c(c1)C(=O)NCCN2 107134440 573367713 /nfs/dbraw/zinc/36/77/13/573367713.db2.gz ITGNQYYZEKDHQR-UHFFFAOYSA-N 0 0 190.246 1.404 10 0 ADAERN O[C@@H]1CCCN(c2ccccc2F)C1 259430303 573367715 /nfs/dbraw/zinc/36/77/15/573367715.db2.gz UKVHRFCSWLDNJT-SECBINFHSA-N 0 0 195.237 1.787 10 0 ADAERN COc1cccc2c1O[C@@H](C)CN2 259428286 573367721 /nfs/dbraw/zinc/36/77/21/573367721.db2.gz YXZLSIDWSNEPJV-ZETCQYMHSA-N 0 0 179.219 1.888 10 0 ADAERN CN1CC(O)(CCc2ccccc2)C1 107135335 573367732 /nfs/dbraw/zinc/36/77/32/573367732.db2.gz RDGZYZXCGRDDOF-UHFFFAOYSA-N 0 0 191.274 1.296 10 0 ADAERN COc1ccn2nccc2c1F 238369683 573367749 /nfs/dbraw/zinc/36/77/49/573367749.db2.gz XDUQJQCDQYQUCU-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN Cn1ncc(N)c1Cc1ccccc1 107132885 573367764 /nfs/dbraw/zinc/36/77/64/573367764.db2.gz XRNQLBLNNAQGJK-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN CCc1c(O)ccc(C(C)=O)c1O 117764727 573367765 /nfs/dbraw/zinc/36/77/65/573367765.db2.gz WRLYGDRGLRWENL-UHFFFAOYSA-N 0 0 180.203 1.863 10 0 ADAERN CCCCc1ncc(CO)s1 86326053 573366772 /nfs/dbraw/zinc/36/67/72/573366772.db2.gz BVIQLKYNYBPVJC-UHFFFAOYSA-N 0 0 171.265 1.978 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@H](C2CCC2)C[NH2+]1 258316310 573366786 /nfs/dbraw/zinc/36/67/86/573366786.db2.gz VTDIPYGNYGDTID-WPRPVWTQSA-N 0 0 183.251 1.239 10 0 ADAERN CC1=CC(C)=NC2=NCC(=O)N12 258637528 573366793 /nfs/dbraw/zinc/36/67/93/573366793.db2.gz YJTWWCNDXUIRKQ-UHFFFAOYSA-N 0 0 163.180 1.052 10 0 ADAERN CC(C)(CO)C[C@@H](O)C(C)(C)C 78159038 573366800 /nfs/dbraw/zinc/36/68/00/573366800.db2.gz VZPZZACSWKIJHJ-MRVPVSSYSA-N 0 0 174.284 1.802 10 0 ADAERN Cn1ccc2ccc(O)cc2c1=O 258315648 573366811 /nfs/dbraw/zinc/36/68/11/573366811.db2.gz UBLAVYFGNUBHQN-UHFFFAOYSA-N 0 0 175.187 1.244 10 0 ADAERN Cc1ncsc1CC(=O)NC1CC1 74644946 573366813 /nfs/dbraw/zinc/36/68/13/573366813.db2.gz UTYJDLTUPANENS-UHFFFAOYSA-N 0 0 196.275 1.273 10 0 ADAERN CC(C)CONCc1cc[nH]c1 133108960 573366843 /nfs/dbraw/zinc/36/68/43/573366843.db2.gz UQJITUYMBZJZGG-UHFFFAOYSA-N 0 0 168.240 1.692 10 0 ADAERN OCCCc1cccc2c1OCOC2 258008683 573366861 /nfs/dbraw/zinc/36/68/61/573366861.db2.gz HEDKKMFOBAEQGW-UHFFFAOYSA-N 0 0 194.230 1.478 10 0 ADAERN c1cc2c(cn1)nnn2C1CCC1 258315123 573366913 /nfs/dbraw/zinc/36/69/13/573366913.db2.gz JZHVPARJDPTSIW-UHFFFAOYSA-N 0 0 174.207 1.551 10 0 ADAERN Cc1nc(C=O)oc1C(C)C 258492789 573366926 /nfs/dbraw/zinc/36/69/26/573366926.db2.gz KHLFZCFVMYIUCX-UHFFFAOYSA-N 0 0 153.181 1.919 10 0 ADAERN CC(=O)Nc1cc(C=O)cc(C)c1F 214788241 573367778 /nfs/dbraw/zinc/36/77/78/573367778.db2.gz NYQHWZVAYBBUIC-UHFFFAOYSA-N 0 0 195.193 1.905 10 0 ADAERN C[C@H]1Cc2cccc(CCCO)c2O1 258008810 573366939 /nfs/dbraw/zinc/36/69/39/573366939.db2.gz HFOVFQMIKRBDEC-VIFPVBQESA-N 0 0 192.258 1.935 10 0 ADAERN [NH3+]Cc1sc(C2CC2)nc1C(=O)[O-] 258315630 573366953 /nfs/dbraw/zinc/36/69/53/573366953.db2.gz UBHCZBRVWLZXBA-UHFFFAOYSA-N 0 0 198.247 1.177 10 0 ADAERN CCONC(C1CC1)C1CC1 133055827 573366960 /nfs/dbraw/zinc/36/69/60/573366960.db2.gz RVLWQFNNWJGHFI-UHFFFAOYSA-N 0 0 155.241 1.716 10 0 ADAERN C[C@@H]([NH+](C)C)C(C)(C)CC(=O)[O-] 259428489 573367782 /nfs/dbraw/zinc/36/77/82/573367782.db2.gz IHXRCJCVMDIDFP-SSDOTTSWSA-N 0 0 173.256 1.437 10 0 ADAERN C[C@H]1[C@@H](O)CC[C@@H]1C1CCOCC1 83035468 573366974 /nfs/dbraw/zinc/36/69/74/573366974.db2.gz JPUDJYUFCODAJG-MIMYLULJSA-N 0 0 184.279 1.820 10 0 ADAERN CC(C)CONCc1csnn1 133105917 573366976 /nfs/dbraw/zinc/36/69/76/573366976.db2.gz SKQXMWCHOVOEFK-UHFFFAOYSA-N 0 0 187.268 1.215 10 0 ADAERN Cn1nc(N)c2c1CC[C@@]2(C)F 258492786 573366993 /nfs/dbraw/zinc/36/69/93/573366993.db2.gz KGZFYAWSUUTDRI-MRVPVSSYSA-N 0 0 169.203 1.133 10 0 ADAERN CC(C)CC[C@@](C)(O)c1cnn(C)n1 308563631 573366997 /nfs/dbraw/zinc/36/69/97/573366997.db2.gz GRLBJEGLLOJHEN-SNVBAGLBSA-N 0 0 197.282 1.459 10 0 ADAERN CN1CCC[C@@H]1c1cc(C=O)no1 259428676 573367001 /nfs/dbraw/zinc/36/70/01/573367001.db2.gz ZAVUHVQXQSKBKU-MRVPVSSYSA-N 0 0 180.207 1.254 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)Cc1ccccn1 689948409 573367002 /nfs/dbraw/zinc/36/70/02/573367002.db2.gz FETODWHPLMLOJU-MWLCHTKSSA-N 0 0 191.230 1.228 10 0 ADAERN O=C1Nc2ccccc2OCC12CC2 259428314 573367014 /nfs/dbraw/zinc/36/70/14/573367014.db2.gz YYFAXRDWUAHWNP-UHFFFAOYSA-N 0 0 189.214 1.798 10 0 ADAERN CC(C)c1nnn(C(C)C)c1N 258492837 573367025 /nfs/dbraw/zinc/36/70/25/573367025.db2.gz KJAPVFLIRYBTSL-UHFFFAOYSA-N 0 0 168.244 1.565 10 0 ADAERN Cc1ccccc1CC1(O)CN(C)C1 107135209 573367784 /nfs/dbraw/zinc/36/77/84/573367784.db2.gz FWMKNSXKRXNLMN-UHFFFAOYSA-N 0 0 191.274 1.214 10 0 ADAERN CCC1(C[C@@H](O)c2cn[nH]n2)CCC1 308564809 573367051 /nfs/dbraw/zinc/36/70/51/573367051.db2.gz HEYPTGGSVFXGTP-SECBINFHSA-N 0 0 195.266 1.809 10 0 ADAERN CC[C@@H](C)C[C@@H](NN)c1cncnc1 129776205 573367068 /nfs/dbraw/zinc/36/70/68/573367068.db2.gz WAFZVVLWDRERNP-PSASIEDQSA-N 0 0 194.282 1.417 10 0 ADAERN COc1cncc([C@@H](O)C2(C)CC2)c1 124212770 573367075 /nfs/dbraw/zinc/36/70/75/573367075.db2.gz UKBMPDMIWKZGJF-SNVBAGLBSA-N 0 0 193.246 1.924 10 0 ADAERN CCn1ccnc1[C@@H]1CC[C@@H](O)[C@@H]1C 83036628 573367077 /nfs/dbraw/zinc/36/70/77/573367077.db2.gz QVZNYEMMTUMZKO-OPRDCNLKSA-N 0 0 194.278 1.777 10 0 ADAERN C[C@H](C=C1CC1)CO 238369598 573367093 /nfs/dbraw/zinc/36/70/93/573367093.db2.gz NWANVXACOHFMJN-ZCFIWIBFSA-N 0 0 112.172 1.335 10 0 ADAERN CC(C)CONCc1cnco1 133112455 573367101 /nfs/dbraw/zinc/36/71/01/573367101.db2.gz MBONWBKNWWJCAS-UHFFFAOYSA-N 0 0 170.212 1.352 10 0 ADAERN C[C@H](O)c1cn(C)c2cccc(O)c12 258008368 573367104 /nfs/dbraw/zinc/36/71/04/573367104.db2.gz XMAXJVHBTZAVKN-ZETCQYMHSA-N 0 0 191.230 1.937 10 0 ADAERN COCC[C@H](C)NOCC(C)C 133102351 573367109 /nfs/dbraw/zinc/36/71/09/573367109.db2.gz ZJSQYJGMNGWTQL-VIFPVBQESA-N 0 0 175.272 1.589 10 0 ADAERN CCc1cc(CON)c(C)cc1O 258008087 573367125 /nfs/dbraw/zinc/36/71/25/573367125.db2.gz MQUVPEDTMGNTOH-UHFFFAOYSA-N 0 0 181.235 1.653 10 0 ADAERN CCCCc1nc(Cl)n[nH]1 86324643 573367128 /nfs/dbraw/zinc/36/71/28/573367128.db2.gz FQFGXOVURSIVCB-UHFFFAOYSA-N 0 0 159.620 1.801 10 0 ADAERN COc1cccc(C[C@@H](C)O)c1N 117833955 573367135 /nfs/dbraw/zinc/36/71/35/573367135.db2.gz RCCFIVFQVDICDI-SSDOTTSWSA-N 0 0 181.235 1.201 10 0 ADAERN Cc1c(F)cccc1CCON 258008104 573367147 /nfs/dbraw/zinc/36/71/47/573367147.db2.gz MQYARAGVBZCUTO-UHFFFAOYSA-N 0 0 169.199 1.567 10 0 ADAERN CCCOC[C@@H](O)[C@@H](OC)C(C)C 133045262 573367171 /nfs/dbraw/zinc/36/71/71/573367171.db2.gz CCGANZHKZMJJHA-ZJUUUORDSA-N 0 0 190.283 1.445 10 0 ADAERN CONCc1ccc(F)c(C)c1OC 258008012 573367176 /nfs/dbraw/zinc/36/71/76/573367176.db2.gz CMKWYCMJDSQINS-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN COc1nc(C)c(C)cc1O 238370116 573367224 /nfs/dbraw/zinc/36/72/24/573367224.db2.gz SHGGOUGCDBVYFM-UHFFFAOYSA-N 0 0 153.181 1.413 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1nccn1C 83035504 573367226 /nfs/dbraw/zinc/36/72/26/573367226.db2.gz ARGPVHCIKYTWKY-CIUDSAMLSA-N 0 0 180.251 1.295 10 0 ADAERN CCCCc1nc(C)c(F)c(N)n1 86323643 573367261 /nfs/dbraw/zinc/36/72/61/573367261.db2.gz MTJZONFABPIDOJ-UHFFFAOYSA-N 0 0 183.230 1.849 10 0 ADAERN CC1(C)CC[C@H]1CCO 214776260 573367265 /nfs/dbraw/zinc/36/72/65/573367265.db2.gz ZRUNBAHTNPVOQF-ZETCQYMHSA-N 0 0 128.215 1.805 10 0 ADAERN COC[C@@H](CO)c1ccccc1OC 258316870 573367277 /nfs/dbraw/zinc/36/72/77/573367277.db2.gz XMRAYEPXSBTWER-SECBINFHSA-N 0 0 196.246 1.418 10 0 ADAERN C[C@@H](CCO)[S@@](=O)C(C)(C)C 238370411 573367289 /nfs/dbraw/zinc/36/72/89/573367289.db2.gz HVKYWZKBTHCCMA-WRWORJQWSA-N 0 0 178.297 1.305 10 0 ADAERN CC[C@@H](Cn1cncc1[C@H](C)[NH3+])OC 308563608 573367298 /nfs/dbraw/zinc/36/72/98/573367298.db2.gz GOOMGERUKUGGLO-IUCAKERBSA-N 0 0 197.282 1.328 10 0 ADAERN Cc1ccc(-n2nccn2)c(CO)c1 117805281 573367299 /nfs/dbraw/zinc/36/72/99/573367299.db2.gz USEVMLWSBDEYOR-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN 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573371592 /nfs/dbraw/zinc/37/15/92/573371592.db2.gz LZYNHUHYLOHMDM-UHFFFAOYSA-N 0 0 199.231 1.493 10 0 ADAERN C[C@@H](O)CCCC1(O)CC1 258016120 573371602 /nfs/dbraw/zinc/37/16/02/573371602.db2.gz PNJVJVDBFDPDRK-SSDOTTSWSA-N 0 0 144.214 1.062 10 0 ADAERN CCc1ncc2n1CCC[C@H]2O 258324859 573371638 /nfs/dbraw/zinc/37/16/38/573371638.db2.gz KISMTZTZCMQEJP-MRVPVSSYSA-N 0 0 166.224 1.273 10 0 ADAERN NOC[C@H]1Cc2cc(F)ccc2O1 86335454 573371642 /nfs/dbraw/zinc/37/16/42/573371642.db2.gz FMGGIIKXIARHHN-MRVPVSSYSA-N 0 0 183.182 1.020 10 0 ADAERN CCCOCC[C@@H](NN)c1ccco1 133049553 573371644 /nfs/dbraw/zinc/37/16/44/573371644.db2.gz WWNQNHXSKLVQAP-SECBINFHSA-N 0 0 198.266 1.601 10 0 ADAERN CC(=O)CN1CCc2cccnc21 258016181 573371645 /nfs/dbraw/zinc/37/16/45/573371645.db2.gz BNNQTPPOZFVMGQ-UHFFFAOYSA-N 0 0 176.219 1.033 10 0 ADAERN C[C@@H](CCO)[S@](=O)C(C)(C)C 238370434 573371658 /nfs/dbraw/zinc/37/16/58/573371658.db2.gz HVKYWZKBTHCCMA-CPCISQLKSA-N 0 0 178.297 1.305 10 0 ADAERN COc1ccc2c(c1CCO)CCC2 258014244 573372979 /nfs/dbraw/zinc/37/29/79/573372979.db2.gz HQVVVZQFLQJQPY-UHFFFAOYSA-N 0 0 192.258 1.719 10 0 ADAERN CCCCOC(=O)c1cncnc1N 308565177 573375815 /nfs/dbraw/zinc/37/58/15/573375815.db2.gz HHWQUFHGLJRYDJ-UHFFFAOYSA-N 0 0 195.222 1.016 10 0 ADAERN Nc1cc2c(cc1F)OCCC(=O)N2 107139094 573372926 /nfs/dbraw/zinc/37/29/26/573372926.db2.gz RBJWMFYSAMZXKR-UHFFFAOYSA-N 0 0 196.181 1.129 10 0 ADAERN CC[C@H]1CCC[C@H](ON)C1 86335670 573372929 /nfs/dbraw/zinc/37/29/29/573372929.db2.gz WJCQFIVRYPQHDJ-YUMQZZPRSA-N 0 0 143.230 1.846 10 0 ADAERN NOC[C@@H]1Cc2ccccc2S1 86335510 573372933 /nfs/dbraw/zinc/37/29/33/573372933.db2.gz VQELKAYOQKKCCX-QMMMGPOBSA-N 0 0 181.260 1.594 10 0 ADAERN Cn1c(C=O)cnc1-c1cccs1 117858272 573371551 /nfs/dbraw/zinc/37/15/51/573371551.db2.gz KSWATOBYXSEBJM-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN NOCc1ccnc2ccccc12 86335558 573371553 /nfs/dbraw/zinc/37/15/53/573371553.db2.gz CKIURONGCBJUOP-UHFFFAOYSA-N 0 0 174.203 1.625 10 0 ADAERN COc1cc(N)ccc1[S@](C)=O 86336117 573372939 /nfs/dbraw/zinc/37/29/39/573372939.db2.gz ABTHOZDBIDIGTA-GFCCVEGCSA-N 0 0 185.248 1.015 10 0 ADAERN CCON[C@@H]1CCO[C@H](CC)C1 133078592 573372940 /nfs/dbraw/zinc/37/29/40/573372940.db2.gz UPOCYAIJMYINHW-RKDXNWHRSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H](O)Cc1ccc([C@H](C)CO)cc1 258014047 573372942 /nfs/dbraw/zinc/37/29/42/573372942.db2.gz HPBRVEGDMXAHNO-ZJUUUORDSA-N 0 0 194.274 1.706 10 0 ADAERN Fc1ccccc1[C@H]1CCNN1 258492916 573372943 /nfs/dbraw/zinc/37/29/43/573372943.db2.gz KKAMOXBDOFCLOV-SECBINFHSA-N 0 0 166.199 1.365 10 0 ADAERN OC/C=C\[C@@H]1CCCCS1 258320058 573372945 /nfs/dbraw/zinc/37/29/45/573372945.db2.gz WBSVAHYKNJAIER-NHLYECAPSA-N 0 0 158.266 1.821 10 0 ADAERN CO[C@H](C)CSc1nccc(C)n1 308367083 573371676 /nfs/dbraw/zinc/37/16/76/573371676.db2.gz OMLYTSOTXNXVCB-MRVPVSSYSA-N 0 0 198.291 1.912 10 0 ADAERN O=C1CC[C@H]2C(=O)CCC[C@@H]12 214788747 573371677 /nfs/dbraw/zinc/37/16/77/573371677.db2.gz HKZYCARSPJWAFK-RNFRBKRXSA-N 0 0 152.193 1.335 10 0 ADAERN CC(C)CONCc1cscn1 133110761 573371678 /nfs/dbraw/zinc/37/16/78/573371678.db2.gz ZOROTLGSGQGZOZ-UHFFFAOYSA-N 0 0 186.280 1.820 10 0 ADAERN CC[C@@H](C)NC(=O)CCc1ccc[nH]1 74682110 573371700 /nfs/dbraw/zinc/37/17/00/573371700.db2.gz WBPHOYTYBVIGOH-SECBINFHSA-N 0 0 194.278 1.862 10 0 ADAERN C[C@H]1CC[C@H](NC#N)[C@@H]1C 83044569 573371714 /nfs/dbraw/zinc/37/17/14/573371714.db2.gz BZRISJJZZCKERZ-RNJXMRFFSA-N 0 0 138.214 1.492 10 0 ADAERN Cc1nc(CN[C@@H](C)CCO)oc1C 132940032 573371719 /nfs/dbraw/zinc/37/17/19/573371719.db2.gz QLLRANPCSXHBEK-ZETCQYMHSA-N 0 0 198.266 1.152 10 0 ADAERN Cc1nc2c(CON)cccc2o1 258015811 573371722 /nfs/dbraw/zinc/37/17/22/573371722.db2.gz NMSLXCGLOQBJIK-UHFFFAOYSA-N 0 0 178.191 1.527 10 0 ADAERN C[C@H]1C[C@H](ON)CC[C@H]1C 86335252 573371735 /nfs/dbraw/zinc/37/17/35/573371735.db2.gz UJAKWZUQDBYSEC-GJMOJQLCSA-N 0 0 143.230 1.701 10 0 ADAERN CCCNC(=O)c1ocnc1C(C)C 74681514 573371745 /nfs/dbraw/zinc/37/17/45/573371745.db2.gz BLHITURPRMTKSG-UHFFFAOYSA-N 0 0 196.250 1.938 10 0 ADAERN O=C([O-])[C@@]1(CC2CC2)CCC[NH2+]C1 86341334 573371763 /nfs/dbraw/zinc/37/17/63/573371763.db2.gz LKIINUWPBQHHTQ-SNVBAGLBSA-N 0 0 183.251 1.241 10 0 ADAERN CCON[C@@H](C)Cc1ccco1 133051139 573371768 /nfs/dbraw/zinc/37/17/68/573371768.db2.gz AHJVLZVLJTWNSV-QMMMGPOBSA-N 0 0 169.224 1.752 10 0 ADAERN O=C([O-])[C@]1(CC2CCC2)CCC[NH2+]C1 86341343 573371770 /nfs/dbraw/zinc/37/17/70/573371770.db2.gz LNIUDWUJJMXDDI-NSHDSACASA-N 0 0 197.278 1.631 10 0 ADAERN CC(C)CC[NH2+][C@@H]1C[C@H]1C(=O)[O-] 259099205 573371785 /nfs/dbraw/zinc/37/17/85/573371785.db2.gz AHWAMTIRLWBGSM-HTQZYQBOSA-N 0 0 171.240 1.095 10 0 ADAERN O=C([O-])[C@]1(C2CCCC2)CC[NH2+]C1 86341429 573371788 /nfs/dbraw/zinc/37/17/88/573371788.db2.gz OQCVHDYDCXKESN-SNVBAGLBSA-N 0 0 183.251 1.241 10 0 ADAERN CCCc1nnc2n1CCC[C@H]2O 258322591 573371802 /nfs/dbraw/zinc/37/18/02/573371802.db2.gz KGPRIMKWZYKOPI-SSDOTTSWSA-N 0 0 181.239 1.058 10 0 ADAERN C[C@H](CO)N1CCCc2ccccc21 107135201 573371825 /nfs/dbraw/zinc/37/18/25/573371825.db2.gz NVLUUDLDTNXQIY-SNVBAGLBSA-N 0 0 191.274 1.820 10 0 ADAERN CC1CCC(ON)CC1 86335666 573371851 /nfs/dbraw/zinc/37/18/51/573371851.db2.gz UQBQJDASTPUOSP-UHFFFAOYSA-N 0 0 129.203 1.455 10 0 ADAERN CO[C@@H](C)CSc1nccc(C)n1 308367085 573371864 /nfs/dbraw/zinc/37/18/64/573371864.db2.gz OMLYTSOTXNXVCB-QMMMGPOBSA-N 0 0 198.291 1.912 10 0 ADAERN C[C@H](N[C@@H]1CCCOC1)C(C)(F)F 307088531 573371873 /nfs/dbraw/zinc/37/18/73/573371873.db2.gz TUPPJIBRLZZXND-JGVFFNPUSA-N 0 0 193.237 1.799 10 0 ADAERN O=Cc1cc(O)ccc1CC1(O)CC1 258014316 573371875 /nfs/dbraw/zinc/37/18/75/573371875.db2.gz HRTHEHLNYBNWMI-UHFFFAOYSA-N 0 0 192.214 1.272 10 0 ADAERN CC(C)(C)[C@@H]1CC[NH2+]C[C@@H]1C(=O)[O-] 107131082 573371877 /nfs/dbraw/zinc/37/18/77/573371877.db2.gz TWFQKQSKCDIFGH-JGVFFNPUSA-N 0 0 185.267 1.343 10 0 ADAERN Cc1cc(N)ccc1[S@@](C)=O 86336116 573371879 /nfs/dbraw/zinc/37/18/79/573371879.db2.gz BBMSFDGZMGAHBH-NSHDSACASA-N 0 0 169.249 1.315 10 0 ADAERN O=C(Cc1cocn1)N1CCCCC1 74686536 573371893 /nfs/dbraw/zinc/37/18/93/573371893.db2.gz DCNGFLFLAFTBHU-UHFFFAOYSA-N 0 0 194.234 1.230 10 0 ADAERN Fc1ccccc1[C@@H]1CCNN1 258492927 573371944 /nfs/dbraw/zinc/37/19/44/573371944.db2.gz KKAMOXBDOFCLOV-VIFPVBQESA-N 0 0 166.199 1.365 10 0 ADAERN C[N@@H+]1CCC[C@](F)(CC(=O)[O-])CC1 107133907 573371954 /nfs/dbraw/zinc/37/19/54/573371954.db2.gz LAYWEGDBZXLGGV-SECBINFHSA-N 0 0 189.230 1.285 10 0 ADAERN Cc1[nH]c(=NC#N)oc1C 223053344 573371955 /nfs/dbraw/zinc/37/19/55/573371955.db2.gz LIHWUMNHYDUKOH-UHFFFAOYSA-N 0 0 137.142 1.184 10 0 ADAERN COC(C)(C)C(=O)OC[C@H]1C[C@H]1C 308367128 573371957 /nfs/dbraw/zinc/37/19/57/573371957.db2.gz OOCUKALJWAOWRX-HTQZYQBOSA-N 0 0 186.251 1.611 10 0 ADAERN CC[C@@H](C)n1ccc(CON)n1 86335493 573372054 /nfs/dbraw/zinc/37/20/54/573372054.db2.gz HMMPXSMCGZFVEM-SSDOTTSWSA-N 0 0 169.228 1.244 10 0 ADAERN Cn1ccc2cccc(N)c2c1=O 117831649 573371968 /nfs/dbraw/zinc/37/19/68/573371968.db2.gz COVSCYFWBCZFRC-UHFFFAOYSA-N 0 0 174.203 1.121 10 0 ADAERN Nc1ccccc1-c1cc[nH]c(=O)n1 107132586 573371970 /nfs/dbraw/zinc/37/19/70/573371970.db2.gz XFOJWWLYTQSXBK-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN CCCCNC(=O)CCc1ccc[nH]1 74682103 573371974 /nfs/dbraw/zinc/37/19/74/573371974.db2.gz REGGHZHTVFWTLD-UHFFFAOYSA-N 0 0 194.278 1.864 10 0 ADAERN CC(C)(C)[C@@H]1CC[NH2+]C[C@H]1C(=O)[O-] 107131088 573371980 /nfs/dbraw/zinc/37/19/80/573371980.db2.gz TWFQKQSKCDIFGH-HTQZYQBOSA-N 0 0 185.267 1.343 10 0 ADAERN CC(=O)c1cccc(CO)c1O 258014439 573372015 /nfs/dbraw/zinc/37/20/15/573372015.db2.gz NITZTBHZGFCCMH-UHFFFAOYSA-N 0 0 166.176 1.087 10 0 ADAERN NCC(=O)c1ccccc1NC1CC1 107134371 573372028 /nfs/dbraw/zinc/37/20/28/573372028.db2.gz FNYUVDGGPHXAGO-UHFFFAOYSA-N 0 0 190.246 1.402 10 0 ADAERN OC1CCC(C2CCOCC2)CC1 117789515 573372045 /nfs/dbraw/zinc/37/20/45/573372045.db2.gz OAQCFOWYXNXHQT-UHFFFAOYSA-N 0 0 184.279 1.964 10 0 ADAERN O=C(CO)Nc1cc2ccccc2[nH]1 107134301 573372059 /nfs/dbraw/zinc/37/20/59/573372059.db2.gz BFEJHYGWRTYQKH-UHFFFAOYSA-N 0 0 190.202 1.099 10 0 ADAERN NOC[C@H]1Cc2ccccc2S1 86335508 573372074 /nfs/dbraw/zinc/37/20/74/573372074.db2.gz VQELKAYOQKKCCX-MRVPVSSYSA-N 0 0 181.260 1.594 10 0 ADAERN COc1cc(N)ccc1[S@@](C)=O 86336119 573372114 /nfs/dbraw/zinc/37/21/14/573372114.db2.gz ABTHOZDBIDIGTA-LBPRGKRZSA-N 0 0 185.248 1.015 10 0 ADAERN NOCCC[C@H]1CCCCS1 258013970 573372117 /nfs/dbraw/zinc/37/21/17/573372117.db2.gz RBSMQFVFWFDGIC-MRVPVSSYSA-N 0 0 175.297 1.943 10 0 ADAERN CONC(=O)N(C)[C@@H](C)C(C)(C)C 308366742 573372123 /nfs/dbraw/zinc/37/21/23/573372123.db2.gz OLRPTLVPLNOLDD-ZETCQYMHSA-N 0 0 188.271 1.624 10 0 ADAERN CC[C@H]1CCCC[C@@H]1ON 86335272 573372124 /nfs/dbraw/zinc/37/21/24/573372124.db2.gz SFIVIETYYPJFQE-YUMQZZPRSA-N 0 0 143.230 1.846 10 0 ADAERN C[C@H](C1CC1)[C@H](NN)c1ccoc1 132946372 573372146 /nfs/dbraw/zinc/37/21/46/573372146.db2.gz UXUXUZIDKZWBHY-XCBNKYQSSA-N 0 0 180.251 1.830 10 0 ADAERN COc1c(CO)cccc1C(C)=O 258014361 573372147 /nfs/dbraw/zinc/37/21/47/573372147.db2.gz NGBUXSDBUGQJDD-UHFFFAOYSA-N 0 0 180.203 1.390 10 0 ADAERN C[C@H]1CC(=O)[C@@H]2OC(C)(C)O[C@H]12 117798959 573372156 /nfs/dbraw/zinc/37/21/56/573372156.db2.gz GUDHSZDLAJUZNF-ARDNSNSESA-N 0 0 170.208 1.115 10 0 ADAERN CC(C)(C)[C@H]1CC[NH2+]C[C@@H]1C(=O)[O-] 107131086 573372157 /nfs/dbraw/zinc/37/21/57/573372157.db2.gz TWFQKQSKCDIFGH-YUMQZZPRSA-N 0 0 185.267 1.343 10 0 ADAERN CCc1ncc2n1CCC[C@@H]2O 258324861 573372165 /nfs/dbraw/zinc/37/21/65/573372165.db2.gz KISMTZTZCMQEJP-QMMMGPOBSA-N 0 0 166.224 1.273 10 0 ADAERN COc1cccc2c1O[C@H](C)CN2 259428283 573372172 /nfs/dbraw/zinc/37/21/72/573372172.db2.gz YXZLSIDWSNEPJV-SSDOTTSWSA-N 0 0 179.219 1.888 10 0 ADAERN C/C=C/C[C@]1(C(=O)[O-])CC[NH2+]C1 86336925 573372173 /nfs/dbraw/zinc/37/21/73/573372173.db2.gz JVEWZMGXBAZTLC-HPOULIHZSA-N 0 0 169.224 1.017 10 0 ADAERN NOCCc1cccc(CF)c1 258015983 573372178 /nfs/dbraw/zinc/37/21/78/573372178.db2.gz NQBJOPCMLMQKMX-UHFFFAOYSA-N 0 0 169.199 1.589 10 0 ADAERN OCCc1ccc(CF)cc1 258015957 573372210 /nfs/dbraw/zinc/37/22/10/573372210.db2.gz NPIDUNRTMUPYND-UHFFFAOYSA-N 0 0 154.184 1.691 10 0 ADAERN COCCn1ccc2c(O)cccc21 117851034 573372221 /nfs/dbraw/zinc/37/22/21/573372221.db2.gz OULFOLWOVGQSGA-UHFFFAOYSA-N 0 0 191.230 1.993 10 0 ADAERN COc1c(C)cnc(CON)c1C 86335585 573372960 /nfs/dbraw/zinc/37/29/60/573372960.db2.gz LAMUDNULUYKBGM-UHFFFAOYSA-N 0 0 182.223 1.097 10 0 ADAERN CN1CC(O)(Cc2ccccc2F)C1 107138404 573372961 /nfs/dbraw/zinc/37/29/61/573372961.db2.gz FILZJEYITAYNRP-UHFFFAOYSA-N 0 0 195.237 1.045 10 0 ADAERN OCCc1cc(Cl)c(F)cc1O 258008843 573372255 /nfs/dbraw/zinc/37/22/55/573372255.db2.gz HFXRTEFYNZKESR-UHFFFAOYSA-N 0 0 190.601 1.720 10 0 ADAERN COC[C@@H](C)NOCC(C)C 133107497 573372264 /nfs/dbraw/zinc/37/22/64/573372264.db2.gz TYKMDEQXPFYPEM-MRVPVSSYSA-N 0 0 161.245 1.199 10 0 ADAERN CCCCNC(=O)Cc1cocn1 74686525 573372281 /nfs/dbraw/zinc/37/22/81/573372281.db2.gz MCLJQJZUMCXHPY-UHFFFAOYSA-N 0 0 182.223 1.133 10 0 ADAERN CO[C@H]1OC(=O)N[C@H]1c1ccccc1 238372221 573372287 /nfs/dbraw/zinc/37/22/87/573372287.db2.gz WPTTXBLKNFOWCP-IUCAKERBSA-N 0 0 193.202 1.440 10 0 ADAERN COC(=O)Cc1coc(F)c1 259610207 573372294 /nfs/dbraw/zinc/37/22/94/573372294.db2.gz DUAGBBLTWFXWGH-UHFFFAOYSA-N 0 0 158.128 1.134 10 0 ADAERN CC(C)C[C@@H](C[NH2+]C1CCC1)C(=O)[O-] 258320647 573372298 /nfs/dbraw/zinc/37/22/98/573372298.db2.gz XTQRIZINSWJSRL-VIFPVBQESA-N 0 0 199.294 1.875 10 0 ADAERN CCCc1noc(C[C@H](C)OC)n1 308366118 573372316 /nfs/dbraw/zinc/37/23/16/573372316.db2.gz OCEXTTRIICHUOF-ZETCQYMHSA-N 0 0 184.239 1.600 10 0 ADAERN CO[C@H](C)C(=O)NCC1(F)CCC1 308367078 573372328 /nfs/dbraw/zinc/37/23/28/573372328.db2.gz OMKIYEMZZCYMPE-SSDOTTSWSA-N 0 0 189.230 1.030 10 0 ADAERN NOC[C@H]1Cc2ccccc21 86335333 573372335 /nfs/dbraw/zinc/37/23/35/573372335.db2.gz OAJIESVWZNMGTM-MRVPVSSYSA-N 0 0 149.193 1.217 10 0 ADAERN C[C@@H]1CCC[C@@H](ON)C1 86335604 573372345 /nfs/dbraw/zinc/37/23/45/573372345.db2.gz RZNXFQWJAUGFLS-RNFRBKRXSA-N 0 0 129.203 1.455 10 0 ADAERN CSC[C@H]1C(=O)CC[C@@H]1C 238372319 573372347 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308366117 573372412 /nfs/dbraw/zinc/37/24/12/573372412.db2.gz HTIUWRGCKFAEEY-UHFFFAOYSA-N 0 0 180.207 1.285 10 0 ADAERN C=CC(=O)N[C@@H]1CC[C@H](C)[C@H]1C 83041989 573372414 /nfs/dbraw/zinc/37/24/14/573372414.db2.gz PKNCXQFDVUEBQD-DJLDLDEBSA-N 0 0 167.252 1.723 10 0 ADAERN COC(=O)C[C@H]1CC[C@H](C)C1=O 238371993 573372425 /nfs/dbraw/zinc/37/24/25/573372425.db2.gz FVTOUKPQDSZCAI-NKWVEPMBSA-N 0 0 170.208 1.165 10 0 ADAERN CC(=O)Oc1ccc(O)cc1F 224066186 573372429 /nfs/dbraw/zinc/37/24/29/573372429.db2.gz YJSUWGCBFWPKEM-UHFFFAOYSA-N 0 0 170.139 1.457 10 0 ADAERN COc1cc(O)c2c(c1)C(=O)CCC2 238372080 573372442 /nfs/dbraw/zinc/37/24/42/573372442.db2.gz IESMCBDNOIKAAC-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN NOC[C@H]1COc2ccccc21 86335682 573372450 /nfs/dbraw/zinc/37/24/50/573372450.db2.gz QRARTPFJJKWZKS-SSDOTTSWSA-N 0 0 165.192 1.053 10 0 ADAERN Cc1nc2cc(F)ccc2nc1C=O 117809423 573372455 /nfs/dbraw/zinc/37/24/55/573372455.db2.gz XRHQYOAAPCRQQW-UHFFFAOYSA-N 0 0 190.177 1.890 10 0 ADAERN 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/nfs/dbraw/zinc/37/37/76/573373776.db2.gz QSQUBOJKNRALMF-UHFFFAOYSA-N 0 0 150.177 1.731 10 0 ADAERN CN1Cc2ccccc2CCC1=O 117917686 573373783 /nfs/dbraw/zinc/37/37/83/573373783.db2.gz JGODRPDYQKKFNX-UHFFFAOYSA-N 0 0 175.231 1.591 10 0 ADAERN CC[C@@H]1CC[C@H](NC(C)=O)[C@@H]1C 83050453 573373792 /nfs/dbraw/zinc/37/37/92/573373792.db2.gz KIWWDDYJJRWJAC-QNSHHTMESA-N 0 0 169.268 1.947 10 0 ADAERN COc1nc(C)cc(N)c1C(F)F 238371911 573373800 /nfs/dbraw/zinc/37/38/00/573373800.db2.gz TXMROCMDAVFGQI-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CC(C)(C)OC(=O)N1CCC=C1CO 117943927 573373805 /nfs/dbraw/zinc/37/38/05/573373805.db2.gz MBYYHZUQGMDOSQ-UHFFFAOYSA-N 0 0 199.250 1.503 10 0 ADAERN COc1cc(N)c(C)cc1N=O 238372032 573373811 /nfs/dbraw/zinc/37/38/11/573373811.db2.gz OIRVQQPOXCOODL-UHFFFAOYSA-N 0 0 166.180 1.984 10 0 ADAERN COc1cnc(N2CCCC2)nc1 238371987 573373827 /nfs/dbraw/zinc/37/38/27/573373827.db2.gz VJIHEBXNSIGLHV-UHFFFAOYSA-N 0 0 179.223 1.085 10 0 ADAERN C[C@H]1SCC[C@]1(O)c1cccnc1 107138929 573373831 /nfs/dbraw/zinc/37/38/31/573373831.db2.gz XMYRITDKCFWQPH-PSASIEDQSA-N 0 0 195.287 1.795 10 0 ADAERN CN1c2ccc(O)cc2NCC12CC2 259431142 573373834 /nfs/dbraw/zinc/37/38/34/573373834.db2.gz ZBTBQTYDWKXBNU-UHFFFAOYSA-N 0 0 190.246 1.787 10 0 ADAERN CCCN1N=CC(C(=O)OCC)C1=O 133070120 573373839 /nfs/dbraw/zinc/37/38/39/573373839.db2.gz VFIISCVLHQQQKS-UHFFFAOYSA-N 0 0 198.222 1.175 10 0 ADAERN CCON[C@H](C)c1nccn1C 133080009 573373865 /nfs/dbraw/zinc/37/38/65/573373865.db2.gz CSZRHNHKKCKMMM-SSDOTTSWSA-N 0 0 169.228 1.022 10 0 ADAERN COc1cccc(CO)c1[C@@H](C)O 238371675 573373866 /nfs/dbraw/zinc/37/38/66/573373866.db2.gz CBLNPIBXHBJMTI-SSDOTTSWSA-N 0 0 182.219 1.241 10 0 ADAERN O=C(Cn1cccc1)NC1CCCC1 74694025 573373872 /nfs/dbraw/zinc/37/38/72/573373872.db2.gz VEXIHPFCRXSGAP-UHFFFAOYSA-N 0 0 192.262 1.547 10 0 ADAERN CCON[C@@H](C)c1nccn1C 133079798 573373882 /nfs/dbraw/zinc/37/38/82/573373882.db2.gz CSZRHNHKKCKMMM-ZETCQYMHSA-N 0 0 169.228 1.022 10 0 ADAERN CCCC(=O)CC[C@H](C)O 86352595 573373893 /nfs/dbraw/zinc/37/38/93/573373893.db2.gz ZZKXYXAYFLYHFF-ZETCQYMHSA-N 0 0 144.214 1.517 10 0 ADAERN COc1cc(N)c(C)nc1Cl 238372203 573373895 /nfs/dbraw/zinc/37/38/95/573373895.db2.gz UCSXADITNWHXGO-UHFFFAOYSA-N 0 0 172.615 1.634 10 0 ADAERN CCOC(=O)NC[C@@H]1CCCC1=O 308376115 573373913 /nfs/dbraw/zinc/37/39/13/573373913.db2.gz SFICALASPKJYHY-ZETCQYMHSA-N 0 0 185.223 1.102 10 0 ADAERN C[NH2+][C@@H](CO)c1ccccc1[S-] 238372283 573373918 /nfs/dbraw/zinc/37/39/18/573373918.db2.gz YPZAJNGBEAWYLK-QMMMGPOBSA-N 0 0 183.276 1.228 10 0 ADAERN CONC(=O)N(CC1CC1)C1CC1 308374615 573373932 /nfs/dbraw/zinc/37/39/32/573373932.db2.gz RONKTWZZBCYVJF-UHFFFAOYSA-N 0 0 184.239 1.132 10 0 ADAERN C[C@H](O)Cc1ccc([C@@H](C)CO)cc1 258014038 573373934 /nfs/dbraw/zinc/37/39/34/573373934.db2.gz HPBRVEGDMXAHNO-UWVGGRQHSA-N 0 0 194.274 1.706 10 0 ADAERN COCc1ccc(C[C@@H](C)O)cc1O 258016722 573373942 /nfs/dbraw/zinc/37/39/42/573373942.db2.gz HURGUQUSGGINRE-MRVPVSSYSA-N 0 0 196.246 1.462 10 0 ADAERN Cc1cccnc1[C@@H](C)CCO 238370784 573374074 /nfs/dbraw/zinc/37/40/74/573374074.db2.gz KKMNOQFYHYCEQD-VIFPVBQESA-N 0 0 165.236 1.876 10 0 ADAERN Nc1cc2c(cc1F)SCC(=O)N2 107141154 573373977 /nfs/dbraw/zinc/37/39/77/573373977.db2.gz HLLNYLRTZIBWRH-UHFFFAOYSA-N 0 0 198.222 1.452 10 0 ADAERN O=C1CCCCN1C1CCC(O)CC1 107140577 573373998 /nfs/dbraw/zinc/37/39/98/573373998.db2.gz VOMAUIQQJKFYJI-UHFFFAOYSA-N 0 0 197.278 1.302 10 0 ADAERN CN[C@@H](C)c1noc(C(C)C)n1 258015068 573374005 /nfs/dbraw/zinc/37/40/05/573374005.db2.gz NAYHTIYNDPKLSS-LURJTMIESA-N 0 0 169.228 1.473 10 0 ADAERN C[C@@H]1SCC[C@]1(O)c1cccnc1 107138932 573374019 /nfs/dbraw/zinc/37/40/19/573374019.db2.gz XMYRITDKCFWQPH-WCBMZHEXSA-N 0 0 195.287 1.795 10 0 ADAERN COc1cccc(CO)c1C(C)(C)O 238371345 573374020 /nfs/dbraw/zinc/37/40/20/573374020.db2.gz ZJPWMXKNMFVNBS-UHFFFAOYSA-N 0 0 196.246 1.415 10 0 ADAERN CO[C@H]1C(=O)C[C@H]1c1ccccc1 238372392 573374027 /nfs/dbraw/zinc/37/40/27/573374027.db2.gz QODQDMRFPIAAKA-GXSJLCMTSA-N 0 0 176.215 1.758 10 0 ADAERN COc1cc(C)c(OC)c(CCO)c1 258016672 573374077 /nfs/dbraw/zinc/37/40/77/573374077.db2.gz HUAWAMGVHUFZDO-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN CCCc1occc1C(=O)NOC 308376884 573374038 /nfs/dbraw/zinc/37/40/38/573374038.db2.gz SRRUVGRUUVLJMN-UHFFFAOYSA-N 0 0 183.207 1.523 10 0 ADAERN OCC/C=C\Cc1ccc(O)cc1 258015879 573374041 /nfs/dbraw/zinc/37/40/41/573374041.db2.gz BJOZEUMIXFZUAR-UPHRSURJSA-N 0 0 178.231 1.873 10 0 ADAERN OCC/C=C\CC1CCOCC1 258327894 573376622 /nfs/dbraw/zinc/37/66/22/573376622.db2.gz WVTHEAVLHUKTIR-UPHRSURJSA-N 0 0 170.252 1.742 10 0 ADAERN C[C@@H](CO)C[S@](=O)C(C)(C)C 238372324 573374775 /nfs/dbraw/zinc/37/47/75/573374775.db2.gz CXVQBBGRVGKWLU-CPCISQLKSA-N 0 0 178.297 1.162 10 0 ADAERN C[C@@H]1C(=O)Nc2cccc(O)c2N1C 259431369 573374778 /nfs/dbraw/zinc/37/47/78/573374778.db2.gz ZDDMBCIBRVZZPL-ZCFIWIBFSA-N 0 0 192.218 1.169 10 0 ADAERN O=C1CCCOc2c(F)cccc2N1 258015264 573374596 /nfs/dbraw/zinc/37/45/96/573374596.db2.gz ABTNYIALOATXMH-UHFFFAOYSA-N 0 0 195.193 1.937 10 0 ADAERN C[C@H](C(N)=O)c1ccc(F)cc1 117903242 573374609 /nfs/dbraw/zinc/37/46/09/573374609.db2.gz GGXVVYDASQNSSG-LURJTMIESA-N 0 0 167.183 1.415 10 0 ADAERN CO[C@H]1C(=O)N[C@@H]1c1ccccc1F 238371503 573374611 /nfs/dbraw/zinc/37/46/11/573374611.db2.gz OSRKSZQUJIECFA-RKDXNWHRSA-N 0 0 195.193 1.012 10 0 ADAERN CSC[C@@H](O)c1ccc(C)o1 258015202 573374613 /nfs/dbraw/zinc/37/46/13/573374613.db2.gz FQGLBOYTPCYRND-SSDOTTSWSA-N 0 0 172.249 1.984 10 0 ADAERN CCCC[C@@H](C)NN1CCOCC1 214359898 573374616 /nfs/dbraw/zinc/37/46/16/573374616.db2.gz HMOIGZYJGYQWIA-SNVBAGLBSA-N 0 0 186.299 1.402 10 0 ADAERN O=C1CC(=O)[C@@H](C2CCCCC2)CN1 107138496 573374630 /nfs/dbraw/zinc/37/46/30/573374630.db2.gz HUEYXPXQECONIX-SECBINFHSA-N 0 0 195.262 1.272 10 0 ADAERN CCC[C@H](C)N[C@H](CF)C(=O)OC 308374685 573374633 /nfs/dbraw/zinc/37/46/33/573374633.db2.gz RQFIOAKJTUWBSF-JGVFFNPUSA-N 0 0 191.246 1.276 10 0 ADAERN COCc1c(C=O)ccc2c1OCO2 258014441 573374645 /nfs/dbraw/zinc/37/46/45/573374645.db2.gz NJAACSIVUQNUKY-UHFFFAOYSA-N 0 0 194.186 1.374 10 0 ADAERN CCCc1nnc2cc(C)ccn12 258016489 573374785 /nfs/dbraw/zinc/37/47/85/573374785.db2.gz BRAGELNOIPLTJA-UHFFFAOYSA-N 0 0 175.235 1.990 10 0 ADAERN COC[C@H](C)C[C@@H](NN)c1ccco1 133086518 573374661 /nfs/dbraw/zinc/37/46/61/573374661.db2.gz QLPBLANYQUVFNB-RKDXNWHRSA-N 0 0 198.266 1.457 10 0 ADAERN C[C@@H]1CC[C@H](N2CCC(=O)C2=O)[C@@H]1C 83044815 573374675 /nfs/dbraw/zinc/37/46/75/573374675.db2.gz QKWPHJIYBFORNH-HLTSFMKQSA-N 0 0 195.262 1.222 10 0 ADAERN C[C@@]1(O)CNc2ccccc2C1 258493008 573374681 /nfs/dbraw/zinc/37/46/81/573374681.db2.gz KKHSTSBBHYDZJU-JTQLQIEISA-N 0 0 163.220 1.406 10 0 ADAERN OC1(c2cccc(C3COC3)c2)CC1 258016637 573374703 /nfs/dbraw/zinc/37/47/03/573374703.db2.gz HTRROGMZCJJWHD-UHFFFAOYSA-N 0 0 190.242 1.782 10 0 ADAERN CN(C)C(=O)c1cccc2c1NCC2 258332270 573374746 /nfs/dbraw/zinc/37/47/46/573374746.db2.gz YINREDNBNZFFKK-UHFFFAOYSA-N 0 0 190.246 1.356 10 0 ADAERN COc1cc(O)c2c(c1O)OCC2 238372197 573374750 /nfs/dbraw/zinc/37/47/50/573374750.db2.gz BCNWHKVBKCWWHK-UHFFFAOYSA-N 0 0 182.175 1.041 10 0 ADAERN CCc1cnc([C@H](O)C(F)F)s1 642831429 573375020 /nfs/dbraw/zinc/37/50/20/573375020.db2.gz VXQYSWJHOVZWMO-RXMQYKEDSA-N 0 0 192.210 1.812 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]1[N@H+]1C[C@H]2C[C@H]2C1 107138543 573375023 /nfs/dbraw/zinc/37/50/23/573375023.db2.gz UPPPNRZNOVFLIJ-RGOKHQFPSA-N 0 0 195.262 1.191 10 0 ADAERN COc1cccc(CON)c1C 238371928 573375033 /nfs/dbraw/zinc/37/50/33/573375033.db2.gz LACKYVKNQBOIDC-UHFFFAOYSA-N 0 0 167.208 1.394 10 0 ADAERN CON(C)C(=O)N[C@H](C)C(C)(C)C 308376876 573375047 /nfs/dbraw/zinc/37/50/47/573375047.db2.gz SRNVXYKCCZWVEP-SSDOTTSWSA-N 0 0 188.271 1.624 10 0 ADAERN CC(=O)CCC1(O)CCCC1 86352446 573375070 /nfs/dbraw/zinc/37/50/70/573375070.db2.gz BQOVZCRDFOOAHZ-UHFFFAOYSA-N 0 0 156.225 1.661 10 0 ADAERN CO[C@H]1C(=O)C[C@@H]1c1ccccc1 238371457 573375078 /nfs/dbraw/zinc/37/50/78/573375078.db2.gz QODQDMRFPIAAKA-MWLCHTKSSA-N 0 0 176.215 1.758 10 0 ADAERN COc1ccc(NC(=O)[C@@H](C)F)cc1 238371452 573375085 /nfs/dbraw/zinc/37/50/85/573375085.db2.gz JQRNPZBOGNXXEF-SSDOTTSWSA-N 0 0 197.209 1.992 10 0 ADAERN CC(=O)CC(=O)NC[C@H](C)C1CC1 133063566 573375088 /nfs/dbraw/zinc/37/50/88/573375088.db2.gz FFHJMFQAKATITO-ZETCQYMHSA-N 0 0 183.251 1.128 10 0 ADAERN COc1cn2nccc2cc1C 238371615 573375095 /nfs/dbraw/zinc/37/50/95/573375095.db2.gz HLVUPVWARMJTDV-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN COc1cccc(CO)c1[C@H](C)O 238371687 573375108 /nfs/dbraw/zinc/37/51/08/573375108.db2.gz CBLNPIBXHBJMTI-ZETCQYMHSA-N 0 0 182.219 1.241 10 0 ADAERN CC[C@@H]1CC[C@H](NC#N)[C@@H]1C 83049212 573375111 /nfs/dbraw/zinc/37/51/11/573375111.db2.gz HHQIMEVBEWVGNW-HLTSFMKQSA-N 0 0 152.241 1.882 10 0 ADAERN COc1nc(C)c(N)cc1C(F)F 238370716 573375133 /nfs/dbraw/zinc/37/51/33/573375133.db2.gz GDUIPQMZAJQSGW-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@H]3C2)C1 107138526 573375134 /nfs/dbraw/zinc/37/51/34/573375134.db2.gz QUFPOWMVJJDCJQ-DOLQZWNJSA-N 0 0 195.262 1.191 10 0 ADAERN C[NH+]1CCC(CC(=O)[O-])(C2CC2)CC1 107140503 573375143 /nfs/dbraw/zinc/37/51/43/573375143.db2.gz TTYFDZNKOZQINM-UHFFFAOYSA-N 0 0 197.278 1.583 10 0 ADAERN CONC(=O)N(CC(C)C)C1CC1 308374657 573375157 /nfs/dbraw/zinc/37/51/57/573375157.db2.gz RPJRCNGGSSDUNP-UHFFFAOYSA-N 0 0 186.255 1.378 10 0 ADAERN COc1cccc(CON)c1Cl 238372005 573375158 /nfs/dbraw/zinc/37/51/58/573375158.db2.gz AKBNMHIXWWXTPN-UHFFFAOYSA-N 0 0 187.626 1.739 10 0 ADAERN COC(=O)C[C@H]1C[C@@H](C)CC1=O 238373181 573377885 /nfs/dbraw/zinc/37/78/85/573377885.db2.gz UERJBFIITTXURS-RNFRBKRXSA-N 0 0 170.208 1.165 10 0 ADAERN COc1cccc(CO)c1SC 238371657 573375199 /nfs/dbraw/zinc/37/51/99/573375199.db2.gz YTKNAVDZHNSDDZ-UHFFFAOYSA-N 0 0 184.260 1.909 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 83046567 573375205 /nfs/dbraw/zinc/37/52/05/573375205.db2.gz FJKKMOJDHVAWSS-HRDYMLBCSA-N 0 0 169.268 1.947 10 0 ADAERN CCO[C@@H]1C[C@@H]1NC(=O)[C@@H](C)CC 308375063 573375219 /nfs/dbraw/zinc/37/52/19/573375219.db2.gz RTIWHHHETSIIDW-XHNCKOQMSA-N 0 0 185.267 1.326 10 0 ADAERN O=C(Nc1ncccn1)c1cc[nH]c1 74701748 573375261 /nfs/dbraw/zinc/37/52/61/573375261.db2.gz CBXLAKJUDDWNKG-UHFFFAOYSA-N 0 0 188.190 1.057 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)CC2CC2)C1 308376929 573375268 /nfs/dbraw/zinc/37/52/68/573375268.db2.gz STFVUZZGEWJTBV-DTORHVGOSA-N 0 0 184.235 1.507 10 0 ADAERN COC(=O)[C@H](C)NCCC=C(C)C 308375601 573375273 /nfs/dbraw/zinc/37/52/73/573375273.db2.gz RXYFENJREIXHIA-VIFPVBQESA-N 0 0 185.267 1.494 10 0 ADAERN C[C@@H]1CC[C@@H](Nc2nnnn2C)[C@@H]1C 83045452 573375280 /nfs/dbraw/zinc/37/52/80/573375280.db2.gz VKDJJCLBNWROPJ-BWZBUEFSSA-N 0 0 195.270 1.057 10 0 ADAERN C[C@]1(c2ccc(Cl)o2)NCCO1 258332945 573375292 /nfs/dbraw/zinc/37/52/92/573375292.db2.gz DUSVMYGIKKCGDF-QMMMGPOBSA-N 0 0 187.626 1.726 10 0 ADAERN CO[C@@H](C)c1cnccc1C(C)=O 238371961 573375295 /nfs/dbraw/zinc/37/52/95/573375295.db2.gz FQFCSCNQRMEUNB-QMMMGPOBSA-N 0 0 179.219 1.992 10 0 ADAERN COc1ccc2c(N)nccc2n1 238371433 573375560 /nfs/dbraw/zinc/37/55/60/573375560.db2.gz JNRGSPXROHDLMN-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN CC[C@@H]1CC[C@@H](NC(N)=S)[C@@H]1C 83047398 573375306 /nfs/dbraw/zinc/37/53/06/573375306.db2.gz XHDMAELFFPLNGE-BWZBUEFSSA-N 0 0 186.324 1.644 10 0 ADAERN C[C@@H](CCO)c1ccccn1 238370683 573375316 /nfs/dbraw/zinc/37/53/16/573375316.db2.gz RHHHFZZUHVYAFL-QMMMGPOBSA-N 0 0 151.209 1.568 10 0 ADAERN FC(F)CCNCc1ncccn1 308376430 573375330 /nfs/dbraw/zinc/37/53/30/573375330.db2.gz OBLVKUAYLODGCF-UHFFFAOYSA-N 0 0 187.193 1.221 10 0 ADAERN COC(=O)[C@H]1COc2ccccc2N1 107136266 573375341 /nfs/dbraw/zinc/37/53/41/573375341.db2.gz MFQXVZYXVMQSIV-MRVPVSSYSA-N 0 0 193.202 1.033 10 0 ADAERN Cc1ccc([C@H]2CC(=O)CC(=O)N2)o1 107136362 573375343 /nfs/dbraw/zinc/37/53/43/573375343.db2.gz OYVMAWGRCDUNFH-MRVPVSSYSA-N 0 0 193.202 1.108 10 0 ADAERN COc1cc(N)c(C(F)F)nc1N 238371608 573375356 /nfs/dbraw/zinc/37/53/56/573375356.db2.gz HVWVEIDVMDDXNA-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN COc1ccc(C)cc1[C@H](C)C(N)=O 238373509 573378517 /nfs/dbraw/zinc/37/85/17/573378517.db2.gz GVWGNFQVOKQUMX-QMMMGPOBSA-N 0 0 193.246 1.592 10 0 ADAERN Clc1nc2c(o1)CCC2 107157101 573378518 /nfs/dbraw/zinc/37/85/18/573378518.db2.gz NSMCYHXEKVTDAX-UHFFFAOYSA-N 0 0 143.573 1.817 10 0 ADAERN CCOC(=O)[C@@H]1C[C@H](C)CC[C@@H]1O 224079179 573375376 /nfs/dbraw/zinc/37/53/76/573375376.db2.gz FAZFTAFXUHIJQD-HLTSFMKQSA-N 0 0 186.251 1.347 10 0 ADAERN CO[C@H]1OC(=O)N[C@@H]1c1ccccc1 238372165 573375386 /nfs/dbraw/zinc/37/53/86/573375386.db2.gz WPTTXBLKNFOWCP-BDAKNGLRSA-N 0 0 193.202 1.440 10 0 ADAERN COc1ccc2c(N)nncc2c1 238371480 573375392 /nfs/dbraw/zinc/37/53/92/573375392.db2.gz BPLRKVLNIKTJLH-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN COc1cc(O)c2c(c1)[C@H](C)OC2=O 238371786 573375409 /nfs/dbraw/zinc/37/54/09/573375409.db2.gz PFOVTGRSAYSTNK-YFKPBYRVSA-N 0 0 194.186 1.632 10 0 ADAERN c1csc([C@@H]2CCCO2)n1 117887937 573375415 /nfs/dbraw/zinc/37/54/15/573375415.db2.gz RHQLFWXOVGGXNV-LURJTMIESA-N 0 0 155.222 1.995 10 0 ADAERN CCc1c(CNOC)cccc1OC 258016785 573375417 /nfs/dbraw/zinc/37/54/17/573375417.db2.gz HVRPVZQOSKOBGT-UHFFFAOYSA-N 0 0 195.262 1.909 10 0 ADAERN COc1ccc(C)cc1[C@@H](C)C(N)=O 238371239 573375445 /nfs/dbraw/zinc/37/54/45/573375445.db2.gz GVWGNFQVOKQUMX-MRVPVSSYSA-N 0 0 193.246 1.592 10 0 ADAERN CC(=O)CCc1cccc(C)n1 86352448 573375446 /nfs/dbraw/zinc/37/54/46/573375446.db2.gz CUJYGUTURAIUDC-UHFFFAOYSA-N 0 0 163.220 1.912 10 0 ADAERN COc1cn2c(N)c[nH+]c2cc1F 238371154 573375460 /nfs/dbraw/zinc/37/54/60/573375460.db2.gz JZOGTOGSDNZKIY-UHFFFAOYSA-N 0 0 181.170 1.064 10 0 ADAERN CCCC(C)(C)NC(=O)[C@H]1CCO1 308376885 573375469 /nfs/dbraw/zinc/37/54/69/573375469.db2.gz SRTSQNZYLXZRCW-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN COc1ccn2c(C)c(CO)nc2c1 259610228 573375488 /nfs/dbraw/zinc/37/54/88/573375488.db2.gz DRFOASLEDGHRQY-UHFFFAOYSA-N 0 0 192.218 1.144 10 0 ADAERN CCOC(=O)CCc1ncsn1 259610196 573375513 /nfs/dbraw/zinc/37/55/13/573375513.db2.gz DTNMFNFQBCGKPS-UHFFFAOYSA-N 0 0 186.236 1.034 10 0 ADAERN C=Cc1c(CO)cccc1OC 238371378 573375519 /nfs/dbraw/zinc/37/55/19/573375519.db2.gz ZKCGEVWDLBUOSC-UHFFFAOYSA-N 0 0 164.204 1.831 10 0 ADAERN C[C@@H](CO)C[C@H]1CCCC[C@H]1O 238372239 573375533 /nfs/dbraw/zinc/37/55/33/573375533.db2.gz LHRAHHJQRGDHTF-OPRDCNLKSA-N 0 0 172.268 1.556 10 0 ADAERN CCCc1ncc2n1CC[C@@H](O)C2 258330604 573375537 /nfs/dbraw/zinc/37/55/37/573375537.db2.gz QFMAVLWDDJEEFM-SECBINFHSA-N 0 0 180.251 1.143 10 0 ADAERN COc1cc(N)c(C(F)F)c(C)n1 238370934 573375571 /nfs/dbraw/zinc/37/55/71/573375571.db2.gz BWKVEHHUQGUJDJ-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN C[C@H]1C(=O)Nc2cccc(O)c2N1C 259431359 573375591 /nfs/dbraw/zinc/37/55/91/573375591.db2.gz ZDDMBCIBRVZZPL-LURJTMIESA-N 0 0 192.218 1.169 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@@H](CC(=O)[O-])C(C)(C)C 129661482 573375593 /nfs/dbraw/zinc/37/55/93/573375593.db2.gz XDENAMRVQRQBIY-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN COC(=O)c1cc(O)c(C=O)cc1F 238371656 573375642 /nfs/dbraw/zinc/37/56/42/573375642.db2.gz WCQNIUMNXRNQFU-UHFFFAOYSA-N 0 0 198.149 1.130 10 0 ADAERN CCCCN(C)C(=O)Cn1cccc1 74694101 573375663 /nfs/dbraw/zinc/37/56/63/573375663.db2.gz OEQQFBNLYVJYJY-UHFFFAOYSA-N 0 0 194.278 1.747 10 0 ADAERN COc1cn2nccc2nc1Cl 238371723 573375706 /nfs/dbraw/zinc/37/57/06/573375706.db2.gz GENGIBSHMJNOHF-UHFFFAOYSA-N 0 0 183.598 1.391 10 0 ADAERN CCOCC(=O)N[C@H]1CC[C@H](C)[C@@H]1C 83046607 573375696 /nfs/dbraw/zinc/37/56/96/573375696.db2.gz UGIKATSLNKSTOZ-GUBZILKMSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1nc2ccc(F)cc2nc1C=O 117895354 573375704 /nfs/dbraw/zinc/37/57/04/573375704.db2.gz LSJRLGWZGFKUFW-UHFFFAOYSA-N 0 0 190.177 1.890 10 0 ADAERN Cc1ccc(-c2cc(N)n[nH]2)cc1N 259431371 573376717 /nfs/dbraw/zinc/37/67/17/573376717.db2.gz NWNNCUQCYVUECV-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN COC(=O)/C=C\[C@H]1CCCOC1 258018668 573375710 /nfs/dbraw/zinc/37/57/10/573375710.db2.gz BLYBZIHIBOKADM-PULIVWKDSA-N 0 0 170.208 1.142 10 0 ADAERN CC[C@@H]1CC[C@H](NC(N)=O)[C@@H]1C 83047558 573375717 /nfs/dbraw/zinc/37/57/17/573375717.db2.gz ZUKKNZFQEBPCHG-PRJMDXOYSA-N 0 0 170.256 1.479 10 0 ADAERN CCC[C@@H](C)N[C@@H](CF)C(=O)OC 308374686 573375719 /nfs/dbraw/zinc/37/57/19/573375719.db2.gz RQFIOAKJTUWBSF-SFYZADRCSA-N 0 0 191.246 1.276 10 0 ADAERN Nc1ccc2c(c1)-n1ccnc1CCC2 117919317 573375819 /nfs/dbraw/zinc/37/58/19/573375819.db2.gz YJHDISDDPWJWOD-UHFFFAOYSA-N 0 0 199.257 1.943 10 0 ADAERN CC(C)(C)NC(=O)Cc1ccc[nH]1 74701211 573375729 /nfs/dbraw/zinc/37/57/29/573375729.db2.gz WLBJJHHJKIXTCQ-UHFFFAOYSA-N 0 0 180.251 1.472 10 0 ADAERN CCCc1nc([C@@H](C)CO)co1 258018548 573375751 /nfs/dbraw/zinc/37/57/51/573375751.db2.gz JLQXJIINJGXRGN-ZETCQYMHSA-N 0 0 169.224 1.723 10 0 ADAERN COc1c(C(N)=S)ccnc1C 238371435 573375752 /nfs/dbraw/zinc/37/57/52/573375752.db2.gz PNOJDVUODKAXJU-UHFFFAOYSA-N 0 0 182.248 1.033 10 0 ADAERN CC(C)(C)c1ccc(C(N)=O)c(N)c1 117900419 573375774 /nfs/dbraw/zinc/37/57/74/573375774.db2.gz CIEMWAUDUKXIGY-UHFFFAOYSA-N 0 0 192.262 1.665 10 0 ADAERN COc1cn2nccc2cc1F 238371677 573375781 /nfs/dbraw/zinc/37/57/81/573375781.db2.gz JTXDOBXQNFICKY-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN CC(=O)CC[C@@H](O)C(F)(F)F 86352442 573375792 /nfs/dbraw/zinc/37/57/92/573375792.db2.gz GAMJRWKKKZRPJK-RXMQYKEDSA-N 0 0 170.130 1.279 10 0 ADAERN O=C1CC(=O)N[C@H](C2CCCCC2)C1 107138599 573375793 /nfs/dbraw/zinc/37/57/93/573375793.db2.gz JHUQTSZVOALVKZ-JTQLQIEISA-N 0 0 195.262 1.414 10 0 ADAERN CO[C@H]1NC(=O)c2c(Cl)cccc21 238371202 573375794 /nfs/dbraw/zinc/37/57/94/573375794.db2.gz WCRKMJIKFQYIIX-SECBINFHSA-N 0 0 197.621 1.728 10 0 ADAERN O=C([O-])[C@@]1(CC(F)(F)F)CC[NH2+]C1 86341540 573375799 /nfs/dbraw/zinc/37/57/99/573375799.db2.gz GDQYTOVPYPWCPY-ZCFIWIBFSA-N 0 0 197.156 1.003 10 0 ADAERN CO[C@H]1C(=O)N[C@@H]1c1ccc(F)cc1 238371313 573375806 /nfs/dbraw/zinc/37/58/06/573375806.db2.gz AJMXRRTWTUTFAA-RKDXNWHRSA-N 0 0 195.193 1.012 10 0 ADAERN N[C@@H](CC[C@@H]1CCCO1)C(F)(F)F 129669290 573375821 /nfs/dbraw/zinc/37/58/21/573375821.db2.gz LPWDITKOFLUTJP-BQBZGAKWSA-N 0 0 197.200 1.835 10 0 ADAERN COCCCCCNc1ccn(C)n1 308565463 573375827 /nfs/dbraw/zinc/37/58/27/573375827.db2.gz ANUGFEPPXFTHRS-UHFFFAOYSA-N 0 0 197.282 1.649 10 0 ADAERN CC[C@@H](F)Cn1nccc1C(C)=O 308376518 573375828 /nfs/dbraw/zinc/37/58/28/573375828.db2.gz SKRZVHAHBOZTSX-MRVPVSSYSA-N 0 0 184.214 1.834 10 0 ADAERN OCCCc1ccc(CNO)cc1 259429880 573375835 /nfs/dbraw/zinc/37/58/35/573375835.db2.gz KTNKCARXZFJPTB-UHFFFAOYSA-N 0 0 181.235 1.090 10 0 ADAERN COC(=O)[C@@H](C)NCCC=C(C)C 308375599 573375836 /nfs/dbraw/zinc/37/58/36/573375836.db2.gz RXYFENJREIXHIA-SECBINFHSA-N 0 0 185.267 1.494 10 0 ADAERN CC(=O)C[C@@H]1CCCCC[C@@H]1O 86352409 573375845 /nfs/dbraw/zinc/37/58/45/573375845.db2.gz BHCQOSTUGQYOOB-UWVGGRQHSA-N 0 0 170.252 1.907 10 0 ADAERN CC(=O)CC/C=C/C(=O)NC(C)(C)C 308374763 573375847 /nfs/dbraw/zinc/37/58/47/573375847.db2.gz WZAOHPSXXGTGFO-SOFGYWHQSA-N 0 0 197.278 1.827 10 0 ADAERN CC(C)CCNC(=O)Cc1ccc[nH]1 74701215 573375855 /nfs/dbraw/zinc/37/58/55/573375855.db2.gz MTLVWWZLVOVITD-UHFFFAOYSA-N 0 0 194.278 1.720 10 0 ADAERN COCCON[C@H](C)C1(C)CC1 133138588 573376719 /nfs/dbraw/zinc/37/67/19/573376719.db2.gz WNIRXJIGIAWRJK-MRVPVSSYSA-N 0 0 173.256 1.343 10 0 ADAERN CO[C@H]1C(=O)N[C@H]1c1cccc(F)c1 238372341 573375858 /nfs/dbraw/zinc/37/58/58/573375858.db2.gz WAOYOOXGBXVBMF-DTWKUNHWSA-N 0 0 195.193 1.012 10 0 ADAERN CC(=O)C[C@@H]1CCCCC[C@H]1O 86352413 573375867 /nfs/dbraw/zinc/37/58/67/573375867.db2.gz BHCQOSTUGQYOOB-VHSXEESVSA-N 0 0 170.252 1.907 10 0 ADAERN O=C1NCCNc2ccc(Cl)cc21 107139791 573375880 /nfs/dbraw/zinc/37/58/80/573375880.db2.gz LDWOCMKNIQXZLD-UHFFFAOYSA-N 0 0 196.637 1.495 10 0 ADAERN COC[C@@H](C)NC(=O)C(F)=C(C)C 308374693 573375881 /nfs/dbraw/zinc/37/58/81/573375881.db2.gz RQSVSPSQXFIBCD-SSDOTTSWSA-N 0 0 189.230 1.401 10 0 ADAERN COc1cn2ccnc2cc1C 238371217 573375907 /nfs/dbraw/zinc/37/59/07/573375907.db2.gz CYEHTJOXBMURPV-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN CC[C@@H](C)[C@@]1(C(=O)[O-])CC[NH2+]C1 86341526 573375944 /nfs/dbraw/zinc/37/59/44/573375944.db2.gz OGJIBZSRAHLCET-VXNVDRBHSA-N 0 0 171.240 1.097 10 0 ADAERN CN(C)c1ncnc2c(N)cccc12 117902946 573375946 /nfs/dbraw/zinc/37/59/46/573375946.db2.gz SQYLZNMEMRKNFK-UHFFFAOYSA-N 0 0 188.234 1.278 10 0 ADAERN COc1ccc2c(N)snc2c1 238371505 573375951 /nfs/dbraw/zinc/37/59/51/573375951.db2.gz UMBTYTILCFACRD-UHFFFAOYSA-N 0 0 180.232 1.887 10 0 ADAERN COc1cc(O)c2c(c1)C(=O)CC2 238372001 573375963 /nfs/dbraw/zinc/37/59/63/573375963.db2.gz FGZKRQMCRJMLTO-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN OC/C=C\CC1CCOCC1 258329644 573375964 /nfs/dbraw/zinc/37/59/64/573375964.db2.gz WZLQGTKJNZJZNG-UPHRSURJSA-N 0 0 156.225 1.352 10 0 ADAERN OC/C=C\Cc1ccco1 258329455 573375970 /nfs/dbraw/zinc/37/59/70/573375970.db2.gz WXEQBYWSARXLSE-UPHRSURJSA-N 0 0 138.166 1.371 10 0 ADAERN COC1=CC(=O)N[C@@H]1c1ccccc1 238370745 573375975 /nfs/dbraw/zinc/37/59/75/573375975.db2.gz PHDPXCAOXWGMHH-LLVKDONJSA-N 0 0 189.214 1.388 10 0 ADAERN CO[C@@H](C)/C=C/C[C@H](C)O 238371431 573375981 /nfs/dbraw/zinc/37/59/81/573375981.db2.gz URZZSJBTEXVNSD-ICLDZVTRSA-N 0 0 144.214 1.348 10 0 ADAERN COCCON[C@@H]1CCCSC1 133152921 573376007 /nfs/dbraw/zinc/37/60/07/573376007.db2.gz DVPQZEFALIXTFA-MRVPVSSYSA-N 0 0 191.296 1.050 10 0 ADAERN Cc1noc(-c2cccc(F)c2N)n1 117916815 573376014 /nfs/dbraw/zinc/37/60/14/573376014.db2.gz ROBIDQWGFDWKOO-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CO[C@@H](C)/C=C/C[C@@H](C)O 238371414 573376056 /nfs/dbraw/zinc/37/60/56/573376056.db2.gz URZZSJBTEXVNSD-SLQBNDFVSA-N 0 0 144.214 1.348 10 0 ADAERN c1csc([C@H]2CCCO2)n1 117887938 573376065 /nfs/dbraw/zinc/37/60/65/573376065.db2.gz RHQLFWXOVGGXNV-ZCFIWIBFSA-N 0 0 155.222 1.995 10 0 ADAERN C[C@@H]1CC(=O)Nc2cccc(F)c2N1 107137261 573376075 /nfs/dbraw/zinc/37/60/75/573376075.db2.gz RRGQYNGBYKAZOE-ZCFIWIBFSA-N 0 0 194.209 1.968 10 0 ADAERN C[C@@H](CCO)c1cccn1C 238370714 573376081 /nfs/dbraw/zinc/37/60/81/573376081.db2.gz QZNORXOZQQPLNF-QMMMGPOBSA-N 0 0 153.225 1.511 10 0 ADAERN CC(=O)C[C@H]1CCCCC[C@H]1O 86352415 573376093 /nfs/dbraw/zinc/37/60/93/573376093.db2.gz BHCQOSTUGQYOOB-NXEZZACHSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H]1CC[C@H](Nc2nnnn2C)[C@@H]1C 83045446 573376094 /nfs/dbraw/zinc/37/60/94/573376094.db2.gz VKDJJCLBNWROPJ-PRJMDXOYSA-N 0 0 195.270 1.057 10 0 ADAERN O=C(Cn1cccc1)N1CCCCC1 74694026 573376114 /nfs/dbraw/zinc/37/61/14/573376114.db2.gz UFVMCSNGVSLMAR-UHFFFAOYSA-N 0 0 192.262 1.501 10 0 ADAERN COC[C@@]1(C)Cc2ccc(O)cc2N1 258327299 573376139 /nfs/dbraw/zinc/37/61/39/573376139.db2.gz WYBKAWOSHUCWJR-LLVKDONJSA-N 0 0 193.246 1.765 10 0 ADAERN CCOCC[C@@H](O)c1cn(CC)cn1 308565067 573376142 /nfs/dbraw/zinc/37/61/42/573376142.db2.gz XZKYUOIFDLDKBU-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN COC[C@]1(C)Cc2ccc(O)cc2N1 258327302 573376149 /nfs/dbraw/zinc/37/61/49/573376149.db2.gz WYBKAWOSHUCWJR-NSHDSACASA-N 0 0 193.246 1.765 10 0 ADAERN COC(=O)C[C@H]1CC[C@@H](C)C1=O 238371698 573376159 /nfs/dbraw/zinc/37/61/59/573376159.db2.gz FVTOUKPQDSZCAI-RNFRBKRXSA-N 0 0 170.208 1.165 10 0 ADAERN CCC[C@@H](O)c1noc(C2(C)CC2)n1 308565254 573376161 /nfs/dbraw/zinc/37/61/61/573376161.db2.gz ZTOYMXCYCLDODO-SSDOTTSWSA-N 0 0 196.250 1.955 10 0 ADAERN CC(C)=CC(=O)NCC1(CCO)CC1 133163141 573376163 /nfs/dbraw/zinc/37/61/63/573376163.db2.gz CLVGBXMFNKYHGI-UHFFFAOYSA-N 0 0 197.278 1.231 10 0 ADAERN NOCCc1ccc2scnc2c1 258016759 573376172 /nfs/dbraw/zinc/37/61/72/573376172.db2.gz HVCMFTAOEDUYHO-UHFFFAOYSA-N 0 0 194.259 1.729 10 0 ADAERN CC1(C(N)=O)Cc2ccccc2C1 117903212 573376210 /nfs/dbraw/zinc/37/62/10/573376210.db2.gz URQKCGBSTFCRJR-UHFFFAOYSA-N 0 0 175.231 1.277 10 0 ADAERN Cc1ccc(C=O)c([C@H](C)CO)c1 258017832 573376218 /nfs/dbraw/zinc/37/62/18/573376218.db2.gz NRVLOIFOBABDQP-SECBINFHSA-N 0 0 178.231 1.903 10 0 ADAERN Nc1ccc2c(c1)CCOCC2 117917272 573376243 /nfs/dbraw/zinc/37/62/43/573376243.db2.gz AZGVLMYVEMQDDJ-UHFFFAOYSA-N 0 0 163.220 1.384 10 0 ADAERN CCCc1c[nH]c(CC(C)=O)n1 259099580 573376265 /nfs/dbraw/zinc/37/62/65/573376265.db2.gz NVDYBOPQEFDJIC-UHFFFAOYSA-N 0 0 166.224 1.494 10 0 ADAERN CCCC/C=C\[C@H](O)[C@H](C)NC(C)=O 308374745 573376266 /nfs/dbraw/zinc/37/62/66/573376266.db2.gz WUVMPLRJQPMFOX-PVRKFNRASA-N 0 0 199.294 1.618 10 0 ADAERN CC(=O)C(F)(F)[C@H]1CCCO1 258641215 573376272 /nfs/dbraw/zinc/37/62/72/573376272.db2.gz YTRPPGWODMZBRV-ZCFIWIBFSA-N 0 0 164.151 1.390 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@H](c2ccco2)C[NH2+]1 258329590 573376280 /nfs/dbraw/zinc/37/62/80/573376280.db2.gz WYWIJRUEUAPQJN-OIBJUYFYSA-N 0 0 195.218 1.200 10 0 ADAERN CC[C@@H]1CC[C@@H](NC(C)=O)[C@@H]1C 83050457 573376299 /nfs/dbraw/zinc/37/62/99/573376299.db2.gz KIWWDDYJJRWJAC-SZEHBUNVSA-N 0 0 169.268 1.947 10 0 ADAERN CCCCCNC(=O)Cc1ccc[nH]1 74701217 573376309 /nfs/dbraw/zinc/37/63/09/573376309.db2.gz GFIYGRCIVWRWBU-UHFFFAOYSA-N 0 0 194.278 1.864 10 0 ADAERN Cc1nc(C(C)(C)O)c2n1CCCC2 258640698 573376316 /nfs/dbraw/zinc/37/63/16/573376316.db2.gz QWPMFMAMRSBXJM-UHFFFAOYSA-N 0 0 194.278 1.755 10 0 ADAERN CSc1ccc(NCNN)cc1 259099755 573376328 /nfs/dbraw/zinc/37/63/28/573376328.db2.gz OILAWKWLPQKCHD-UHFFFAOYSA-N 0 0 183.280 1.241 10 0 ADAERN N[C@H](CC[C@@H]1CCCO1)C(F)(F)F 129669700 573376338 /nfs/dbraw/zinc/37/63/38/573376338.db2.gz LPWDITKOFLUTJP-NKWVEPMBSA-N 0 0 197.200 1.835 10 0 ADAERN COCC(=O)N[C@@H]1CC[C@@H](C)[C@H]1C 83046592 573376340 /nfs/dbraw/zinc/37/63/40/573376340.db2.gz SBFPFPWAYPAHJE-IWSPIJDZSA-N 0 0 185.267 1.184 10 0 ADAERN CCCc1nc([C@H](C)CO)co1 258018544 573376355 /nfs/dbraw/zinc/37/63/55/573376355.db2.gz JLQXJIINJGXRGN-SSDOTTSWSA-N 0 0 169.224 1.723 10 0 ADAERN Nc1cc([N+](=O)[O-])cc2cnsc12 117938836 573376376 /nfs/dbraw/zinc/37/63/76/573376376.db2.gz JIASUGKVEFLKQN-UHFFFAOYSA-N 0 0 195.203 1.787 10 0 ADAERN Cc1cc2c(c(CO)c1C)OCCO2 258016960 573376390 /nfs/dbraw/zinc/37/63/90/573376390.db2.gz HXSIMYJREWJPAG-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN C[C@H]1CC(=O)Nc2cccc(F)c2N1 107137263 573376392 /nfs/dbraw/zinc/37/63/92/573376392.db2.gz RRGQYNGBYKAZOE-LURJTMIESA-N 0 0 194.209 1.968 10 0 ADAERN CC[C@@H]1CC[C@@H](NC(N)=O)[C@@H]1C 83047565 573376409 /nfs/dbraw/zinc/37/64/09/573376409.db2.gz ZUKKNZFQEBPCHG-BWZBUEFSSA-N 0 0 170.256 1.479 10 0 ADAERN CN1C(=O)Cc2c(Cl)cc(N)cc21 258017948 573376429 /nfs/dbraw/zinc/37/64/29/573376429.db2.gz NWKQOINBCLDELC-UHFFFAOYSA-N 0 0 196.637 1.441 10 0 ADAERN C[C@@H]1C[C@H](NCC(F)(F)F)CO1 401873023 573376431 /nfs/dbraw/zinc/37/64/31/573376431.db2.gz ZXCPDNXZADWKEG-RITPCOANSA-N 0 0 183.173 1.316 10 0 ADAERN CC(C)(CC(=O)[O-])[NH2+]C1CCCC1 129667663 573376433 /nfs/dbraw/zinc/37/64/33/573376433.db2.gz JEFZTRRNRVYDOX-UHFFFAOYSA-N 0 0 185.267 1.772 10 0 ADAERN CN(C#N)CCc1nccs1 688724681 573376442 /nfs/dbraw/zinc/37/64/42/573376442.db2.gz MEVRCECTZNAURQ-UHFFFAOYSA-N 0 0 167.237 1.098 10 0 ADAERN COCCONCC(C)(C)C 133153229 573376469 /nfs/dbraw/zinc/37/64/69/573376469.db2.gz ZIUJGZDPTWVTJP-UHFFFAOYSA-N 0 0 161.245 1.200 10 0 ADAERN Cc1cc(C2(O)CC2)cc2c1OCC2 258016887 573376470 /nfs/dbraw/zinc/37/64/70/573376470.db2.gz HWXYPXUDSQSOCF-UHFFFAOYSA-N 0 0 190.242 1.911 10 0 ADAERN CCC1(C2(C(=O)OC)CC2)COC1 258493071 573376471 /nfs/dbraw/zinc/37/64/71/573376471.db2.gz DBSUTIKQESVVJT-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN CC[C@@H]1CC[C@H](NC(N)=S)[C@@H]1C 83047393 573376506 /nfs/dbraw/zinc/37/65/06/573376506.db2.gz XHDMAELFFPLNGE-PRJMDXOYSA-N 0 0 186.324 1.644 10 0 ADAERN OCC[C@H]1CSc2ccccc2N1 107138908 573376508 /nfs/dbraw/zinc/37/65/08/573376508.db2.gz ZJGDDDQKVZNCTF-QMMMGPOBSA-N 0 0 195.287 1.955 10 0 ADAERN Cc1nc(C(C)(C)O)ccc1N 117937364 573377834 /nfs/dbraw/zinc/37/78/34/573377834.db2.gz KJHKZBILIDHVIZ-UHFFFAOYSA-N 0 0 166.224 1.200 10 0 ADAERN NOCc1ccc2nnsc2c1 258017890 573376527 /nfs/dbraw/zinc/37/65/27/573376527.db2.gz NTDJXUKJMQMBIF-UHFFFAOYSA-N 0 0 181.220 1.082 10 0 ADAERN CC(C)(C)NC(=O)Cn1cccc1 74694097 573376576 /nfs/dbraw/zinc/37/65/76/573376576.db2.gz HVLRBOUULUWOEJ-UHFFFAOYSA-N 0 0 180.251 1.403 10 0 ADAERN CCCC(=O)C[C@H]1CCOC1 86352567 573376579 /nfs/dbraw/zinc/37/65/79/573376579.db2.gz MTSFRYGCRPVAJW-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN O=C([O-])[C@@]1(CCC2CC2)CC[NH2+]C1 86341474 573376592 /nfs/dbraw/zinc/37/65/92/573376592.db2.gz XWKDJOGDEDSILF-JTQLQIEISA-N 0 0 183.251 1.241 10 0 ADAERN CC(=O)C[C@H]1CCCCC[C@@H]1O 86352411 573376600 /nfs/dbraw/zinc/37/66/00/573376600.db2.gz BHCQOSTUGQYOOB-ZJUUUORDSA-N 0 0 170.252 1.907 10 0 ADAERN C/C=C\CCNC(=O)[C@@H]1CCCCO1 308376966 573376638 /nfs/dbraw/zinc/37/66/38/573376638.db2.gz OKPXEUBQDBBHIV-ZMWSMAPVSA-N 0 0 197.278 1.638 10 0 ADAERN COCCNc1ccnc(OC)c1 133160610 573376639 /nfs/dbraw/zinc/37/66/39/573376639.db2.gz DQGFOGQSIHRJKO-UHFFFAOYSA-N 0 0 182.223 1.149 10 0 ADAERN CCc1ccc2c(c1)OCC(=O)N2 117905162 573376642 /nfs/dbraw/zinc/37/66/42/573376642.db2.gz QGLMNCGJCBWANJ-UHFFFAOYSA-N 0 0 177.203 1.580 10 0 ADAERN C/C=C\CCNC(=O)c1cccnc1 308375746 573376644 /nfs/dbraw/zinc/37/66/44/573376644.db2.gz LJPXDOWSMNRFND-IHWYPQMZSA-N 0 0 190.246 1.778 10 0 ADAERN CC[C@@H](O)CCC(C)=O 86352532 573376669 /nfs/dbraw/zinc/37/66/69/573376669.db2.gz MQRALIJAASQPNT-SSDOTTSWSA-N 0 0 130.187 1.127 10 0 ADAERN COCCON[C@@H]1CS[C@H](C)C1 133150846 573376671 /nfs/dbraw/zinc/37/66/71/573376671.db2.gz CRWXHZUGPCDTEI-SFYZADRCSA-N 0 0 191.296 1.048 10 0 ADAERN CCOC(=O)C1(CC(C)C)COC1 258493074 573376687 /nfs/dbraw/zinc/37/66/87/573376687.db2.gz DBTLKMUJMGZXND-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN CCOc1cccc(OCCO)c1N 129659139 573376703 /nfs/dbraw/zinc/37/67/03/573376703.db2.gz OLRCPSFUCDYUHI-UHFFFAOYSA-N 0 0 197.234 1.039 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@@H](c2ccco2)C[NH2+]1 258329595 573377839 /nfs/dbraw/zinc/37/78/39/573377839.db2.gz WYWIJRUEUAPQJN-XCBNKYQSSA-N 0 0 195.218 1.200 10 0 ADAERN COc1cccc(C/C=C\CO)c1 258327582 573376771 /nfs/dbraw/zinc/37/67/71/573376771.db2.gz WRTSOZPEMNPCSE-IHWYPQMZSA-N 0 0 178.231 1.786 10 0 ADAERN NNCc1ccc(F)c2ccccc12 236195651 573376785 /nfs/dbraw/zinc/37/67/85/573376785.db2.gz CQCVJNGSZHWQDR-UHFFFAOYSA-N 0 0 190.221 1.942 10 0 ADAERN CCOCC[C@H](O)c1cn(CC)cn1 308565066 573376788 /nfs/dbraw/zinc/37/67/88/573376788.db2.gz XZKYUOIFDLDKBU-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN Cc1nc(Cl)c2n1CC[C@@H](O)C2 258332691 573376790 /nfs/dbraw/zinc/37/67/90/573376790.db2.gz PZCFDNSSGOJHMW-ZCFIWIBFSA-N 0 0 186.642 1.152 10 0 ADAERN CCOc1cn2ncccc2n1 117934031 573376799 /nfs/dbraw/zinc/37/67/99/573376799.db2.gz ZFNOQDFWBYEWIQ-UHFFFAOYSA-N 0 0 163.180 1.128 10 0 ADAERN C[C@@H](CO)Cc1coc(Cl)n1 238372685 573376808 /nfs/dbraw/zinc/37/68/08/573376808.db2.gz MWMUWJATRRDLKT-RXMQYKEDSA-N 0 0 175.615 1.499 10 0 ADAERN Oc1ccc2c(c1C1(O)CC1)OCO2 258016942 573376831 /nfs/dbraw/zinc/37/68/31/573376831.db2.gz HXPVNYSCLSWPDY-UHFFFAOYSA-N 0 0 194.186 1.102 10 0 ADAERN COc1cnc2c(c1)COCCN2 238373049 573377848 /nfs/dbraw/zinc/37/78/48/573377848.db2.gz ZDRREKOQCHCKKS-UHFFFAOYSA-N 0 0 180.207 1.032 10 0 ADAERN CCC[C@@H](C)N[C@H](CF)C(=O)OC 308374684 573376850 /nfs/dbraw/zinc/37/68/50/573376850.db2.gz RQFIOAKJTUWBSF-HTQZYQBOSA-N 0 0 191.246 1.276 10 0 ADAERN CC(=O)C[C@H]1CCCC[C@H]1O 86352478 573376868 /nfs/dbraw/zinc/37/68/68/573376868.db2.gz HWYWDRHBYYKTBB-RKDXNWHRSA-N 0 0 156.225 1.517 10 0 ADAERN NOC[C@H]1Cc2c(F)cccc2O1 258331857 573376884 /nfs/dbraw/zinc/37/68/84/573376884.db2.gz XHEYDWNRXUYSQQ-ZCFIWIBFSA-N 0 0 183.182 1.020 10 0 ADAERN Cc1cc(CCCO)cc(N)c1C 259429849 573376891 /nfs/dbraw/zinc/37/68/91/573376891.db2.gz KTFAMLYSSWESDC-UHFFFAOYSA-N 0 0 179.263 1.811 10 0 ADAERN Cc1cccc(OC[C@@H](O)CCO)c1 258017413 573376894 /nfs/dbraw/zinc/37/68/94/573376894.db2.gz FUHPBISVGGIOCV-JTQLQIEISA-N 0 0 196.246 1.117 10 0 ADAERN COc1cnc2c(c1)C(=O)CCO2 238373169 573376924 /nfs/dbraw/zinc/37/69/24/573376924.db2.gz XNULSKZUVUPDRP-UHFFFAOYSA-N 0 0 179.175 1.055 10 0 ADAERN CO[C@@H]1[C@@H]2CC(=O)[C@@H](C2)C1(C)C 238372995 573376930 /nfs/dbraw/zinc/37/69/30/573376930.db2.gz UWMMGZXVESXPMX-LKEWCRSYSA-N 0 0 168.236 1.637 10 0 ADAERN CCCC(=O)C[C@@H]1CCOC1 86352565 573376952 /nfs/dbraw/zinc/37/69/52/573376952.db2.gz MTSFRYGCRPVAJW-QMMMGPOBSA-N 0 0 156.225 1.782 10 0 ADAERN CCCc1nnc2c(O)cccn12 258332932 573376972 /nfs/dbraw/zinc/37/69/72/573376972.db2.gz QHVVVBYPHVGDDD-UHFFFAOYSA-N 0 0 177.207 1.387 10 0 ADAERN NOC[C@@H]1CNc2ccc(Cl)cc21 258017412 573376980 /nfs/dbraw/zinc/37/69/80/573376980.db2.gz JIRVQICZGQJYHZ-LURJTMIESA-N 0 0 198.653 1.739 10 0 ADAERN O=C([O-])[C@]1(CC2CCC2)CC[NH2+]C1 86341460 573376981 /nfs/dbraw/zinc/37/69/81/573376981.db2.gz ZFBMPEFDHWHUGG-JTQLQIEISA-N 0 0 183.251 1.241 10 0 ADAERN CC[C@]([NH3+])(CC(=O)[O-])c1cccs1 78408492 573376989 /nfs/dbraw/zinc/37/69/89/573376989.db2.gz PDGZPQGOSMZLKZ-VIFPVBQESA-N 0 0 199.275 1.787 10 0 ADAERN CCO[C@@H]1C[C@H]1NC(=O)[C@@H](C)CC 308375059 573377003 /nfs/dbraw/zinc/37/70/03/573377003.db2.gz RTIWHHHETSIIDW-DJLDLDEBSA-N 0 0 185.267 1.326 10 0 ADAERN CCC(CC)CNC(=O)[C@H](O)CC 308376129 573377009 /nfs/dbraw/zinc/37/70/09/573377009.db2.gz SFZHZPPQLXETSM-SECBINFHSA-N 0 0 187.283 1.310 10 0 ADAERN CC(=O)CC[C@H](O)C(F)(F)F 86352441 573377014 /nfs/dbraw/zinc/37/70/14/573377014.db2.gz GAMJRWKKKZRPJK-YFKPBYRVSA-N 0 0 170.130 1.279 10 0 ADAERN NOC[C@@H]1Cc2c(F)cccc2O1 258331853 573377015 /nfs/dbraw/zinc/37/70/15/573377015.db2.gz XHEYDWNRXUYSQQ-LURJTMIESA-N 0 0 183.182 1.020 10 0 ADAERN C[C@@H](O)c1ccc2snnc2c1 258017929 573377042 /nfs/dbraw/zinc/37/70/42/573377042.db2.gz NUZGIQVTHRGSHC-RXMQYKEDSA-N 0 0 180.232 1.745 10 0 ADAERN CC(=O)CCCCCCO 86352509 573377047 /nfs/dbraw/zinc/37/70/47/573377047.db2.gz UMDPPTMXBUCHCM-UHFFFAOYSA-N 0 0 144.214 1.518 10 0 ADAERN N[C@H](CC[C@H]1CCCO1)C(F)(F)F 129669485 573377059 /nfs/dbraw/zinc/37/70/59/573377059.db2.gz LPWDITKOFLUTJP-RNFRBKRXSA-N 0 0 197.200 1.835 10 0 ADAERN COc1cc(O)cc2c1C(=O)CC2 238373256 573377078 /nfs/dbraw/zinc/37/70/78/573377078.db2.gz KVNPDAUEYXOBQU-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN CC(C)Nc1c(N)ncnc1Cl 117929474 573377087 /nfs/dbraw/zinc/37/70/87/573377087.db2.gz JVYDTSPQWRVRCK-UHFFFAOYSA-N 0 0 186.646 1.533 10 0 ADAERN C[C@H]1SCC[C@]1(O)c1cnn(C)c1 107141561 573377098 /nfs/dbraw/zinc/37/70/98/573377098.db2.gz FLWNHVPZKLQXIF-VXNVDRBHSA-N 0 0 198.291 1.133 10 0 ADAERN C[C@@H]1CC[C@@H](N2CCC(=O)C2=O)[C@@H]1C 83044819 573377140 /nfs/dbraw/zinc/37/71/40/573377140.db2.gz QKWPHJIYBFORNH-IWSPIJDZSA-N 0 0 195.262 1.222 10 0 ADAERN CCCC[C@H](C)NOCCOC 133139026 573377147 /nfs/dbraw/zinc/37/71/47/573377147.db2.gz LOUDJHXARYNMNK-VIFPVBQESA-N 0 0 175.272 1.733 10 0 ADAERN COC(=O)[C@@H]1CCCc2cnoc21 259610254 573377871 /nfs/dbraw/zinc/37/78/71/573377871.db2.gz DVMFVWNGVBWPMY-SSDOTTSWSA-N 0 0 181.191 1.268 10 0 ADAERN CCCC(=O)CC[C@@H](C)O 86352593 573377187 /nfs/dbraw/zinc/37/71/87/573377187.db2.gz ZZKXYXAYFLYHFF-SSDOTTSWSA-N 0 0 144.214 1.517 10 0 ADAERN COc1cc(C)cc(C(=O)C=O)c1 238373094 573377189 /nfs/dbraw/zinc/37/71/89/573377189.db2.gz XPZGSWZNZGDZDG-UHFFFAOYSA-N 0 0 178.187 1.385 10 0 ADAERN CON(C)C(=O)N[C@@H](C)C(C)(C)C 308376877 573377190 /nfs/dbraw/zinc/37/71/90/573377190.db2.gz SRNVXYKCCZWVEP-ZETCQYMHSA-N 0 0 188.271 1.624 10 0 ADAERN CN1CC(O)(c2ccc(F)c(F)c2)C1 107142083 573377202 /nfs/dbraw/zinc/37/72/02/573377202.db2.gz CNRHYKCEWQTZSQ-UHFFFAOYSA-N 0 0 199.200 1.098 10 0 ADAERN CCOCc1cnc(C)s1 258327179 573377207 /nfs/dbraw/zinc/37/72/07/573377207.db2.gz WWOILZVWNYDLLN-UHFFFAOYSA-N 0 0 157.238 1.988 10 0 ADAERN O=C(CCCO)c1ccccc1F 78066202 573377235 /nfs/dbraw/zinc/37/72/35/573377235.db2.gz JOQRNVQYRNFRGU-UHFFFAOYSA-N 0 0 182.194 1.781 10 0 ADAERN COc1c(C=O)cc(O)c2ccoc12 238372734 573377252 /nfs/dbraw/zinc/37/72/52/573377252.db2.gz QBPLYUYRHKLRQL-UHFFFAOYSA-N 0 0 192.170 1.960 10 0 ADAERN OC1(c2cccc3[nH]cnc23)CC1 258017905 573377265 /nfs/dbraw/zinc/37/72/65/573377265.db2.gz NTQYMOZOQGDXAB-UHFFFAOYSA-N 0 0 174.203 1.544 10 0 ADAERN CC(C)[C@@H]1SCC[C@H]1O 117913095 573377269 /nfs/dbraw/zinc/37/72/69/573377269.db2.gz YRSVLBJDQCGDGH-RQJHMYQMSA-N 0 0 146.255 1.509 10 0 ADAERN O=C([O-])[C@@H](C[NH2+]C1CC1)C1CCCC1 258329984 573377277 /nfs/dbraw/zinc/37/72/77/573377277.db2.gz PUENFZYHSCVXMC-JTQLQIEISA-N 0 0 197.278 1.629 10 0 ADAERN C[C@H](O)CCC(=O)C(C)(C)C 86352766 573377283 /nfs/dbraw/zinc/37/72/83/573377283.db2.gz NBIXRMIFERWQGF-ZETCQYMHSA-N 0 0 158.241 1.763 10 0 ADAERN CC(=O)CCc1cnc(C)s1 86352431 573377290 /nfs/dbraw/zinc/37/72/90/573377290.db2.gz YHAXVCGETPYWCP-UHFFFAOYSA-N 0 0 169.249 1.973 10 0 ADAERN COCc1ccc2c(c1CO)OCO2 258016904 573377292 /nfs/dbraw/zinc/37/72/92/573377292.db2.gz HXBJHBPOTGNCNC-UHFFFAOYSA-N 0 0 196.202 1.054 10 0 ADAERN C[C@@H]1CC[C@H](N2CCC(=O)C2)[C@@H]1C 83044806 573377313 /nfs/dbraw/zinc/37/73/13/573377313.db2.gz GTTNCUVCCFJFIL-KKZNHRDASA-N 0 0 181.279 1.696 10 0 ADAERN Nc1cnn(CCCC(F)F)c1 688749073 573377316 /nfs/dbraw/zinc/37/73/16/573377316.db2.gz MDVQFPLBEZPOJG-UHFFFAOYSA-N 0 0 175.182 1.511 10 0 ADAERN COC(=O)[C@H]1CCCc2cnoc21 259610256 573377329 /nfs/dbraw/zinc/37/73/29/573377329.db2.gz DVMFVWNGVBWPMY-ZETCQYMHSA-N 0 0 181.191 1.268 10 0 ADAERN CC(C)CONCCC(C)(C)O 133164783 573377334 /nfs/dbraw/zinc/37/73/34/573377334.db2.gz BYXNCTXGWYBPJY-UHFFFAOYSA-N 0 0 175.272 1.325 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154.209 1.759 10 0 ADAERN COCCON[C@@H]1CS[C@@H](C)C1 133151047 573377473 /nfs/dbraw/zinc/37/74/73/573377473.db2.gz CRWXHZUGPCDTEI-YUMQZZPRSA-N 0 0 191.296 1.048 10 0 ADAERN CC(C)[NH2+][C@@H](CC(=O)[O-])C(C)(C)C 129659888 573377488 /nfs/dbraw/zinc/37/74/88/573377488.db2.gz SXBQIKXSZYQUST-QMMMGPOBSA-N 0 0 187.283 1.874 10 0 ADAERN CC[C@@H](NOCCOC)C(C)C 133155060 573377490 /nfs/dbraw/zinc/37/74/90/573377490.db2.gz FWUKLHOVFAXUHX-SECBINFHSA-N 0 0 175.272 1.589 10 0 ADAERN C[N@@H+](C1CC1)[C@@H](C(=O)[O-])C(C)(C)C 259099856 573377491 /nfs/dbraw/zinc/37/74/91/573377491.db2.gz QAJKWOXPMFOLAK-QMMMGPOBSA-N 0 0 185.267 1.580 10 0 ADAERN COc1cccc(Cl)c1CON 238373751 573377524 /nfs/dbraw/zinc/37/75/24/573377524.db2.gz RRDUEQXBCAFYOZ-UHFFFAOYSA-N 0 0 187.626 1.739 10 0 ADAERN O=C([O-])[C@H](C[NH2+]C1CC1)C1CCCC1 258329985 573377527 /nfs/dbraw/zinc/37/75/27/573377527.db2.gz PUENFZYHSCVXMC-SNVBAGLBSA-N 0 0 197.278 1.629 10 0 ADAERN CC[C@H]1CC[C@H](NC#N)[C@@H]1C 83049214 573377530 /nfs/dbraw/zinc/37/75/30/573377530.db2.gz HHQIMEVBEWVGNW-VGMNWLOBSA-N 0 0 152.241 1.882 10 0 ADAERN CC[C@H](NOCCOC)C(C)C 133154860 573377546 /nfs/dbraw/zinc/37/75/46/573377546.db2.gz FWUKLHOVFAXUHX-VIFPVBQESA-N 0 0 175.272 1.589 10 0 ADAERN OC1(CCCN2CCOCC2)CCC1 258017704 573377547 /nfs/dbraw/zinc/37/75/47/573377547.db2.gz NGDDOXQVWWHVSD-UHFFFAOYSA-N 0 0 199.294 1.014 10 0 ADAERN CCCC(C)(C)NC(=O)[C@@H]1CCO1 308376886 573377550 /nfs/dbraw/zinc/37/75/50/573377550.db2.gz SRTSQNZYLXZRCW-QMMMGPOBSA-N 0 0 185.267 1.470 10 0 ADAERN CO[C@H](C(N)=O)C1CCC(C)CC1 238372632 573377566 /nfs/dbraw/zinc/37/75/66/573377566.db2.gz WTIJRQDOKMJVNE-HACHORDNSA-N 0 0 185.267 1.313 10 0 ADAERN C[C@H]1SCC[C@@]1(O)c1cnn(C)c1 107141556 573377579 /nfs/dbraw/zinc/37/75/79/573377579.db2.gz FLWNHVPZKLQXIF-APPZFPTMSA-N 0 0 198.291 1.133 10 0 ADAERN COCCON[C@@H](C)CC(C)C 133152263 573377580 /nfs/dbraw/zinc/37/75/80/573377580.db2.gz DGPVPMCEJPXLRT-VIFPVBQESA-N 0 0 175.272 1.589 10 0 ADAERN CCc1nc2cc(Cl)nnc2n1C 258017917 573377587 /nfs/dbraw/zinc/37/75/87/573377587.db2.gz NUMWORSFJKQJAO-UHFFFAOYSA-N 0 0 196.641 1.579 10 0 ADAERN COCCON[C@H]1CCCSC1 133153046 573377591 /nfs/dbraw/zinc/37/75/91/573377591.db2.gz DVPQZEFALIXTFA-QMMMGPOBSA-N 0 0 191.296 1.050 10 0 ADAERN C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H]1C 83046579 573377598 /nfs/dbraw/zinc/37/75/98/573377598.db2.gz ZBAXMMBQBSMTRL-MRTMQBJTSA-N 0 0 181.279 1.947 10 0 ADAERN CC(=O)C(F)(F)[C@@H]1CCCO1 258641211 573377610 /nfs/dbraw/zinc/37/76/10/573377610.db2.gz YTRPPGWODMZBRV-LURJTMIESA-N 0 0 164.151 1.390 10 0 ADAERN CCO[C@@H]1C[C@@H]1NC(=O)[C@H](C)CC 308375061 573377617 /nfs/dbraw/zinc/37/76/17/573377617.db2.gz RTIWHHHETSIIDW-HRDYMLBCSA-N 0 0 185.267 1.326 10 0 ADAERN COC[C@@H](C)Nc1ccnc(OC)c1 133163273 573377625 /nfs/dbraw/zinc/37/76/25/573377625.db2.gz DTYYXDVRLHJUKP-MRVPVSSYSA-N 0 0 196.250 1.537 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)c1cnn(C)c1 107141559 573377633 /nfs/dbraw/zinc/37/76/33/573377633.db2.gz FLWNHVPZKLQXIF-CBAPKCEASA-N 0 0 198.291 1.133 10 0 ADAERN O=C([O-])[C@]1(CC(F)(F)F)CC[NH2+]C1 86341541 573378528 /nfs/dbraw/zinc/37/85/28/573378528.db2.gz GDQYTOVPYPWCPY-LURJTMIESA-N 0 0 197.156 1.003 10 0 ADAERN CC[C@H](F)Cn1nccc1C(C)=O 308376519 573377684 /nfs/dbraw/zinc/37/76/84/573377684.db2.gz SKRZVHAHBOZTSX-QMMMGPOBSA-N 0 0 184.214 1.834 10 0 ADAERN CCCCCNC(=O)Cn1cccc1 74694100 573377697 /nfs/dbraw/zinc/37/76/97/573377697.db2.gz BWMGXWCMIPUXNS-UHFFFAOYSA-N 0 0 194.278 1.795 10 0 ADAERN COC(=O)/C=C\C[C@H]1CCCCO1 258018660 573377707 /nfs/dbraw/zinc/37/77/07/573377707.db2.gz BLXTWHZGFHRQIT-WQAKUFEDSA-N 0 0 184.235 1.675 10 0 ADAERN OCCCSCSCCCO 117910787 573378532 /nfs/dbraw/zinc/37/85/32/573378532.db2.gz LTXRPFGDTYMYDS-UHFFFAOYSA-N 0 0 196.337 1.175 10 0 ADAERN CC[C@@]([NH3+])(CC(=O)[O-])c1cccs1 78408491 573377716 /nfs/dbraw/zinc/37/77/16/573377716.db2.gz PDGZPQGOSMZLKZ-SECBINFHSA-N 0 0 199.275 1.787 10 0 ADAERN COC(C)(C)C(=O)OCC1(C)CC1 308375745 573377721 /nfs/dbraw/zinc/37/77/21/573377721.db2.gz SBGMLXGNMRTRNW-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1ccc(O)c(C[C@@H](C)CO)c1 238372511 573377755 /nfs/dbraw/zinc/37/77/55/573377755.db2.gz FZBRNIZZUWRTRY-SECBINFHSA-N 0 0 180.247 1.872 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@@H](c2ccco2)C[NH2+]1 258329589 573377775 /nfs/dbraw/zinc/37/77/75/573377775.db2.gz WYWIJRUEUAPQJN-GMSGAONNSA-N 0 0 195.218 1.200 10 0 ADAERN C[C@H](CO)c1ccc2n[nH]nc2c1 258017854 573377788 /nfs/dbraw/zinc/37/77/88/573377788.db2.gz NSHWDMCJJSZYQU-ZCFIWIBFSA-N 0 0 177.207 1.054 10 0 ADAERN CC[C@@H](C)CNOCCOC 133137303 573377790 /nfs/dbraw/zinc/37/77/90/573377790.db2.gz JQWCXIJEDPRYMN-MRVPVSSYSA-N 0 0 161.245 1.200 10 0 ADAERN COc1cnc2c(n1)CCCC2=O 238372522 573377795 /nfs/dbraw/zinc/37/77/95/573377795.db2.gz LKRKEINBSFUCSN-UHFFFAOYSA-N 0 0 178.191 1.004 10 0 ADAERN C[C@]1(O)CNc2ccccc2C1 258493018 573377799 /nfs/dbraw/zinc/37/77/99/573377799.db2.gz KKHSTSBBHYDZJU-SNVBAGLBSA-N 0 0 163.220 1.406 10 0 ADAERN CC(=O)N[C@H](C)c1cc(Cl)ccn1 238372961 573377811 /nfs/dbraw/zinc/37/78/11/573377811.db2.gz NPUBGESYQROJBG-ZCFIWIBFSA-N 0 0 198.653 1.932 10 0 ADAERN CCn1cnc(CCC(=O)C2CC2)c1 308565094 573377889 /nfs/dbraw/zinc/37/78/89/573377889.db2.gz YAAQODBSYFLZQA-UHFFFAOYSA-N 0 0 192.262 1.815 10 0 ADAERN COC(=O)C[C@H]1C[C@H](C)CC1=O 238373605 573377892 /nfs/dbraw/zinc/37/78/92/573377892.db2.gz UERJBFIITTXURS-NKWVEPMBSA-N 0 0 170.208 1.165 10 0 ADAERN CC(=O)C[C@@H]1CCCC[C@H]1O 86352475 573377934 /nfs/dbraw/zinc/37/79/34/573377934.db2.gz HWYWDRHBYYKTBB-DTWKUNHWSA-N 0 0 156.225 1.517 10 0 ADAERN NOCCc1cccc2cnoc12 258017922 573377938 /nfs/dbraw/zinc/37/79/38/573377938.db2.gz NURHAXZXBSZHGJ-UHFFFAOYSA-N 0 0 178.191 1.261 10 0 ADAERN CC(C)[NH2+][C@H](CC(=O)[O-])C(C)(C)C 129660123 573377948 /nfs/dbraw/zinc/37/79/48/573377948.db2.gz SXBQIKXSZYQUST-MRVPVSSYSA-N 0 0 187.283 1.874 10 0 ADAERN CCC(CC)CNOCCOC 133150020 573377959 /nfs/dbraw/zinc/37/79/59/573377959.db2.gz XWEONMYLUJEWCZ-UHFFFAOYSA-N 0 0 175.272 1.590 10 0 ADAERN CC[C@@H]1CC[C@@H](NC#N)[C@@H]1C 83049217 573377961 /nfs/dbraw/zinc/37/79/61/573377961.db2.gz HHQIMEVBEWVGNW-IWSPIJDZSA-N 0 0 152.241 1.882 10 0 ADAERN CC(C)(C)[C@@H](CC(=O)[O-])[NH+]1CC=CC1 129660834 573377964 /nfs/dbraw/zinc/37/79/64/573377964.db2.gz XZOIXDIGDKHNFY-SECBINFHSA-N 0 0 197.278 1.748 10 0 ADAERN COCCONCCC(C)(C)C 133153459 573377969 /nfs/dbraw/zinc/37/79/69/573377969.db2.gz IRYUFWCYGWHRTE-UHFFFAOYSA-N 0 0 175.272 1.590 10 0 ADAERN COc1cc(O)c2cc[nH]c2c1O 238373011 573377989 /nfs/dbraw/zinc/37/79/89/573377989.db2.gz CTOPALLKCOXCOU-UHFFFAOYSA-N 0 0 179.175 1.588 10 0 ADAERN CCCc1ncc2n1CC[C@H](O)C2 258330605 573378002 /nfs/dbraw/zinc/37/80/02/573378002.db2.gz QFMAVLWDDJEEFM-VIFPVBQESA-N 0 0 180.251 1.143 10 0 ADAERN COc1cnc2c(c1)NCCCC2 238372656 573378544 /nfs/dbraw/zinc/37/85/44/573378544.db2.gz QMVHSRDFUSYEGU-UHFFFAOYSA-N 0 0 178.235 1.838 10 0 ADAERN COc1cccc(OCCCO)c1N 129661188 573378066 /nfs/dbraw/zinc/37/80/66/573378066.db2.gz WKZVZKJSCRIOBI-UHFFFAOYSA-N 0 0 197.234 1.039 10 0 ADAERN CCCc1cnc(CO)o1 259092757 573378070 /nfs/dbraw/zinc/37/80/70/573378070.db2.gz DIAGFNKSRVHGQS-UHFFFAOYSA-N 0 0 141.170 1.119 10 0 ADAERN CNOCCCc1cccc(OC)c1 258017213 573378073 /nfs/dbraw/zinc/37/80/73/573378073.db2.gz RICZWDKFHGZGFS-UHFFFAOYSA-N 0 0 195.262 1.779 10 0 ADAERN CC[C@H](C)[C@@]1(C(=O)[O-])CC[NH2+]C1 86341527 573378084 /nfs/dbraw/zinc/37/80/84/573378084.db2.gz OGJIBZSRAHLCET-IONNQARKSA-N 0 0 171.240 1.097 10 0 ADAERN CCCc1cc(C)nc(CCO)n1 259430228 573378104 /nfs/dbraw/zinc/37/81/04/573378104.db2.gz VZTRUKUEZBYTQO-UHFFFAOYSA-N 0 0 180.251 1.272 10 0 ADAERN O=C1OCCCN1C1CCC(O)CC1 107142414 573378108 /nfs/dbraw/zinc/37/81/08/573378108.db2.gz CQCKUPCYNNIGBL-UHFFFAOYSA-N 0 0 199.250 1.132 10 0 ADAERN CC(C)C1(CC(=O)[O-])CC[NH+](C)CC1 107142584 573378112 /nfs/dbraw/zinc/37/81/12/573378112.db2.gz ZMUZTHILFFBSRD-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN CCC[C@H](C)NOCCOC 133145917 573378114 /nfs/dbraw/zinc/37/81/14/573378114.db2.gz NRQAHNVXMUACSS-QMMMGPOBSA-N 0 0 161.245 1.343 10 0 ADAERN Cc1ccc2c(c1O)OCC2 117876755 573378120 /nfs/dbraw/zinc/37/81/20/573378120.db2.gz XJIBPVWPEGPSKP-UHFFFAOYSA-N 0 0 150.177 1.636 10 0 ADAERN C[C@@]1(c2ccc(Cl)o2)NCCO1 258332929 573378129 /nfs/dbraw/zinc/37/81/29/573378129.db2.gz DUSVMYGIKKCGDF-MRVPVSSYSA-N 0 0 187.626 1.726 10 0 ADAERN COC(=O)[C@@H](O)CC1=CC[C@H](C)CC1 220096225 573378168 /nfs/dbraw/zinc/37/81/68/573378168.db2.gz LUVDSQLWJRAAJI-WPRPVWTQSA-N 0 0 198.262 1.657 10 0 ADAERN CC(=O)Oc1c(C)cccc1O 117880592 573378175 /nfs/dbraw/zinc/37/81/75/573378175.db2.gz KBMOZOSDAZZPKK-UHFFFAOYSA-N 0 0 166.176 1.626 10 0 ADAERN Cc1cc(C(=N)NO)sc1C=O 117927738 573378180 /nfs/dbraw/zinc/37/81/80/573378180.db2.gz VBVDICJDPZOZQP-UHFFFAOYSA-N 0 0 184.220 1.173 10 0 ADAERN CCCCCNOCCOC 133138123 573378182 /nfs/dbraw/zinc/37/81/82/573378182.db2.gz RRXJBTDIUXXURY-UHFFFAOYSA-N 0 0 161.245 1.344 10 0 ADAERN CCOc1ccnc(N(CC)CC)n1 308565324 573378183 /nfs/dbraw/zinc/37/81/83/573378183.db2.gz ZXNBBTQVJGKECT-UHFFFAOYSA-N 0 0 195.266 1.722 10 0 ADAERN CC(C)c1cnnc(Cl)c1N 258017160 573378189 /nfs/dbraw/zinc/37/81/89/573378189.db2.gz RGZJQONUXQHEKS-UHFFFAOYSA-N 0 0 171.631 1.836 10 0 ADAERN COc1cnc2c(c1)C(=O)CCN2 238373022 573378195 /nfs/dbraw/zinc/37/81/95/573378195.db2.gz NWQHLSKDTGBVAU-UHFFFAOYSA-N 0 0 178.191 1.089 10 0 ADAERN COc1n[nH]c(C(C)(C)C)c1CCO 258017103 573378198 /nfs/dbraw/zinc/37/81/98/573378198.db2.gz RFSWPOGRWWWTDR-UHFFFAOYSA-N 0 0 198.266 1.251 10 0 ADAERN Cc1cc(C2CCOCC2)on1 259093581 573378222 /nfs/dbraw/zinc/37/82/22/573378222.db2.gz DYCPYTPNQVPYAW-UHFFFAOYSA-N 0 0 167.208 1.877 10 0 ADAERN CC(C)(C)[C@H](CC(=O)[O-])[NH+]1CC=CC1 129661056 573378226 /nfs/dbraw/zinc/37/82/26/573378226.db2.gz XZOIXDIGDKHNFY-VIFPVBQESA-N 0 0 197.278 1.748 10 0 ADAERN Cc1ncccc1N(C)C 117937766 573378227 /nfs/dbraw/zinc/37/82/27/573378227.db2.gz PSLQTGJEHUQLHI-UHFFFAOYSA-N 0 0 136.198 1.456 10 0 ADAERN COc1cc(N)c(Cl)nc1C 238373165 573378230 /nfs/dbraw/zinc/37/82/30/573378230.db2.gz VFCTYPCZSKKAEZ-UHFFFAOYSA-N 0 0 172.615 1.634 10 0 ADAERN COC[C@H](C)Nc1ccnc(OC)c1 133162997 573378232 /nfs/dbraw/zinc/37/82/32/573378232.db2.gz DTYYXDVRLHJUKP-QMMMGPOBSA-N 0 0 196.250 1.537 10 0 ADAERN N[C@@H](CC[C@H]1CCCO1)C(F)(F)F 129669085 573378247 /nfs/dbraw/zinc/37/82/47/573378247.db2.gz LPWDITKOFLUTJP-RQJHMYQMSA-N 0 0 197.200 1.835 10 0 ADAERN CN1CC(O)(c2cc(F)cc(F)c2)C1 107142076 573378252 /nfs/dbraw/zinc/37/82/52/573378252.db2.gz SBMVXERSESPQCS-UHFFFAOYSA-N 0 0 199.200 1.098 10 0 ADAERN CC(=O)C[C@H]1CCCC[C@@H]1O 86352473 573378261 /nfs/dbraw/zinc/37/82/61/573378261.db2.gz HWYWDRHBYYKTBB-BDAKNGLRSA-N 0 0 156.225 1.517 10 0 ADAERN COC(=O)/C=C\C[C@@H]1CCCCO1 258018663 573378273 /nfs/dbraw/zinc/37/82/73/573378273.db2.gz BLXTWHZGFHRQIT-WYDVEAGSSA-N 0 0 184.235 1.675 10 0 ADAERN CCc1nnc2cc(Cl)ccn12 258332866 573378281 /nfs/dbraw/zinc/37/82/81/573378281.db2.gz QGZGEJGJGPCIPB-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN COc1cc(O)c2c(c1)C(=O)O[C@@H]2C 238372527 573378288 /nfs/dbraw/zinc/37/82/88/573378288.db2.gz GTVVBTRVGVEJJU-RXMQYKEDSA-N 0 0 194.186 1.632 10 0 ADAERN COc1cccc2c(CON)c[nH]c12 258329757 573378314 /nfs/dbraw/zinc/37/83/14/573378314.db2.gz XBSDDVHAIAPAKZ-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN COCC(=O)N[C@@H]1CC[C@H](C)[C@H]1C 83046593 573378322 /nfs/dbraw/zinc/37/83/22/573378322.db2.gz SBFPFPWAYPAHJE-DJLDLDEBSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@H](C)[C@]1(C(=O)[O-])CC[NH2+]C1 86341525 573378324 /nfs/dbraw/zinc/37/83/24/573378324.db2.gz OGJIBZSRAHLCET-CBAPKCEASA-N 0 0 171.240 1.097 10 0 ADAERN CC(=O)CN1CC2(CCCCC2)C1 717379359 573378332 /nfs/dbraw/zinc/37/83/32/573378332.db2.gz ABGGRVVRAWUIAL-UHFFFAOYSA-N 0 0 181.279 1.842 10 0 ADAERN COc1c(C)cc(CON)cc1F 258016910 573378351 /nfs/dbraw/zinc/37/83/51/573378351.db2.gz HXCYEFHSASKYIP-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN CCC[C@@H]1OCCC[C@H]1C(=O)OC 308377631 573378357 /nfs/dbraw/zinc/37/83/57/573378357.db2.gz TUAXAYLPFFEJQR-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@@H]1C[C@@H](NCC(F)(F)F)CO1 401873022 573378358 /nfs/dbraw/zinc/37/83/58/573378358.db2.gz ZXCPDNXZADWKEG-PHDIDXHHSA-N 0 0 183.173 1.316 10 0 ADAERN Fc1ccc(Oc2nnns2)cc1 259092745 573378359 /nfs/dbraw/zinc/37/83/59/573378359.db2.gz QONXTSXDTDESOB-UHFFFAOYSA-N 0 0 197.194 1.865 10 0 ADAERN C[C@@H]1CC[C@@H](N2C(=O)C=CC2=O)[C@@H]1C 83045031 573378361 /nfs/dbraw/zinc/37/83/61/573378361.db2.gz AIWKSXNKWWKNEH-IWSPIJDZSA-N 0 0 193.246 1.346 10 0 ADAERN CCC[C@H]1OCCC[C@H]1C(=O)OC 308377643 573378365 /nfs/dbraw/zinc/37/83/65/573378365.db2.gz TUAXAYLPFFEJQR-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN Fc1ccc(NC[C@@H]2CCCO2)cn1 236199878 573378393 /nfs/dbraw/zinc/37/83/93/573378393.db2.gz VBZKPNIXBCHRIX-VIFPVBQESA-N 0 0 196.225 1.812 10 0 ADAERN Cc1ccc2c(c1)[C@H](CCO)CN2C 258017467 573378397 /nfs/dbraw/zinc/37/83/97/573378397.db2.gz JJDYKKNLWPNVJO-SNVBAGLBSA-N 0 0 191.274 1.911 10 0 ADAERN CC[C@H](C)OC(=O)N(C)C 145559482 573378402 /nfs/dbraw/zinc/37/84/02/573378402.db2.gz DETHDXFQUXWTPY-LURJTMIESA-N 0 0 145.202 1.483 10 0 ADAERN C[C@@H](O)CCC(=O)C(C)(C)C 86352769 573378417 /nfs/dbraw/zinc/37/84/17/573378417.db2.gz NBIXRMIFERWQGF-SSDOTTSWSA-N 0 0 158.241 1.763 10 0 ADAERN COC1=CC(C)(C)[C@@H](C)[C@H]1O 238373278 573378428 /nfs/dbraw/zinc/37/84/28/573378428.db2.gz SUSLLXSPYIZNQZ-POYBYMJQSA-N 0 0 156.225 1.554 10 0 ADAERN CC(=O)C[C@@H]1CCCC[C@@H]1O 86352471 573378448 /nfs/dbraw/zinc/37/84/48/573378448.db2.gz HWYWDRHBYYKTBB-IUCAKERBSA-N 0 0 156.225 1.517 10 0 ADAERN CC(=O)C[C@H]1Cc2c(O)cccc2N1 258331718 573378514 /nfs/dbraw/zinc/37/85/14/573378514.db2.gz XGAKAHIUWJKVNO-QMMMGPOBSA-N 0 0 191.230 1.708 10 0 ADAERN CC(C)(CC(=O)[O-])[C@@H]([NH3+])c1cc[nH]c1 259431660 573378486 /nfs/dbraw/zinc/37/84/86/573378486.db2.gz PNAKCZWTXQYBCB-VIFPVBQESA-N 0 0 196.250 1.515 10 0 ADAERN C[C@H]1C[C@H](NCC(F)(F)F)CO1 401873025 573378503 /nfs/dbraw/zinc/37/85/03/573378503.db2.gz ZXCPDNXZADWKEG-WDSKDSINSA-N 0 0 183.173 1.316 10 0 ADAERN COC1=CCCC[C@]1(C)CO 238374736 573382592 /nfs/dbraw/zinc/38/25/92/573382592.db2.gz DCHZLPSONKIPFA-SECBINFHSA-N 0 0 156.225 1.699 10 0 ADAERN CN(C(N)=O)c1ccc(F)cc1F 258641065 573380591 /nfs/dbraw/zinc/38/05/91/573380591.db2.gz FYVJDQOVRGDLJV-UHFFFAOYSA-N 0 0 186.161 1.480 10 0 ADAERN CC(=O)[C@H](C)Cc1cscn1 86353251 573380594 /nfs/dbraw/zinc/38/05/94/573380594.db2.gz GUDVJFNMJJWKPA-ZCFIWIBFSA-N 0 0 169.249 1.911 10 0 ADAERN O=C(NCc1ccco1)c1ccno1 74713521 573380505 /nfs/dbraw/zinc/38/05/05/573380505.db2.gz DIIBIRCREJYXDR-UHFFFAOYSA-N 0 0 192.174 1.198 10 0 ADAERN O=C([O-])C1=CC[N@@H+](C2CCCC2)CC1 259093454 573380506 /nfs/dbraw/zinc/38/05/06/573380506.db2.gz DUBLLKGLPNHNSK-UHFFFAOYSA-N 0 0 195.262 1.646 10 0 ADAERN COc1cc2[nH]cccc-2c(=O)c1 238373102 573380514 /nfs/dbraw/zinc/38/05/14/573380514.db2.gz MCIPWTKOZVXQDC-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN COC(=O)C12CCC(CC1)[C@H](O)C2 238375595 573381640 /nfs/dbraw/zinc/38/16/40/573381640.db2.gz POMWHVARDXFTPH-CCNFQMFXSA-N 0 0 184.235 1.101 10 0 ADAERN O=C(CCCCO)n1cccc1 238652707 573380520 /nfs/dbraw/zinc/38/05/20/573380520.db2.gz ALUARWGZAJIKDR-UHFFFAOYSA-N 0 0 167.208 1.291 10 0 ADAERN CCC(=O)C[C@@H]1CCOC1 86352907 573380524 /nfs/dbraw/zinc/38/05/24/573380524.db2.gz YLTLOMQXPGXSCR-ZETCQYMHSA-N 0 0 142.198 1.392 10 0 ADAERN CCC(=O)C[C@@H]1CCCC[C@@H]1O 86352982 573381643 /nfs/dbraw/zinc/38/16/43/573381643.db2.gz WCYGPNVZQSWWSY-WPRPVWTQSA-N 0 0 170.252 1.907 10 0 ADAERN COc1cc(O)c2c(c1)C(=O)O[C@H]2C 238372684 573380573 /nfs/dbraw/zinc/38/05/73/573380573.db2.gz GTVVBTRVGVEJJU-YFKPBYRVSA-N 0 0 194.186 1.632 10 0 ADAERN O=C1CCC[C@@H]1CCN1CCOCC1 86354052 573380538 /nfs/dbraw/zinc/38/05/38/573380538.db2.gz AKILCCUIRIWDCL-SNVBAGLBSA-N 0 0 197.278 1.078 10 0 ADAERN CC(C)NC(=O)CCc1cccn1C 74732139 573380540 /nfs/dbraw/zinc/38/05/40/573380540.db2.gz UHHWOEWQHGGQEM-UHFFFAOYSA-N 0 0 194.278 1.482 10 0 ADAERN O=C1CCC[C@H]1CCCCO 86354069 573380289 /nfs/dbraw/zinc/38/02/89/573380289.db2.gz VKOCPUGIIVAZNO-MRVPVSSYSA-N 0 0 156.225 1.518 10 0 ADAERN CC[C@@]1(C2CC2)C[C@H](O)CCO1 83059183 573380295 /nfs/dbraw/zinc/38/02/95/573380295.db2.gz UAXNCEPBGLASJS-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN O=C1CCCCC[C@H]1CCCO 86354726 573380315 /nfs/dbraw/zinc/38/03/15/573380315.db2.gz JCPBSZGZNCPHJL-VIFPVBQESA-N 0 0 170.252 1.908 10 0 ADAERN CCC[C@@H](C)NOCCOC 133145724 573380320 /nfs/dbraw/zinc/38/03/20/573380320.db2.gz NRQAHNVXMUACSS-MRVPVSSYSA-N 0 0 161.245 1.343 10 0 ADAERN Cc1c2cc(C=O)cc(F)c2nn1C 259431516 573380323 /nfs/dbraw/zinc/38/03/23/573380323.db2.gz NZLOLPJJRRYPHK-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN O=C1c2ccccc2CC[C@H]1CCO 86354491 573380324 /nfs/dbraw/zinc/38/03/24/573380324.db2.gz CJNRGDIAIBFJIU-JTQLQIEISA-N 0 0 190.242 1.814 10 0 ADAERN CC(=O)[C@H](C)[C@H]1CCCC[C@@H]1O 86353426 573380332 /nfs/dbraw/zinc/38/03/32/573380332.db2.gz BAWZGWLGSVVKFY-SFGNSQDASA-N 0 0 170.252 1.763 10 0 ADAERN CC[C@@H](C[C@H](C)O)C(C)=O 86353694 573380347 /nfs/dbraw/zinc/38/03/47/573380347.db2.gz WCLKSWZHKXNRRJ-XPUUQOCRSA-N 0 0 144.214 1.373 10 0 ADAERN COCCONC1CCSCC1 133147649 573380358 /nfs/dbraw/zinc/38/03/58/573380358.db2.gz OUZYGTWAEZUHQZ-UHFFFAOYSA-N 0 0 191.296 1.050 10 0 ADAERN COc1cc(N)c(F)c(C(F)F)n1 238373237 573380364 /nfs/dbraw/zinc/38/03/64/573380364.db2.gz HIWMNGZOMWTGTF-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN C=Cc1cc(O)cc(C(=O)OC)c1 238372751 573380370 /nfs/dbraw/zinc/38/03/70/573380370.db2.gz ODDMLNKHCRPXSO-UHFFFAOYSA-N 0 0 178.187 1.822 10 0 ADAERN O=C1CCC[C@@H]1C[C@H]1CCOC1 86354063 573380374 /nfs/dbraw/zinc/38/03/74/573380374.db2.gz VYLCJTALNHAWHK-RKDXNWHRSA-N 0 0 168.236 1.782 10 0 ADAERN COC(=O)c1cc(O)cc(SC)c1 238373095 573380385 /nfs/dbraw/zinc/38/03/85/573380385.db2.gz JGPBWCCEDJVTET-UHFFFAOYSA-N 0 0 198.243 1.901 10 0 ADAERN CCN(C[NH3+])c1ccccc1 258640514 573380386 /nfs/dbraw/zinc/38/03/86/573380386.db2.gz LSAAIGSFHDQLGP-UHFFFAOYSA-N 0 0 150.225 1.429 10 0 ADAERN COCCONC1CCCC1 133146128 573380398 /nfs/dbraw/zinc/38/03/98/573380398.db2.gz YXPXRBFFUOZFLB-UHFFFAOYSA-N 0 0 159.229 1.097 10 0 ADAERN C[C@H]1CCC(=O)[C@H](CCCO)C1 86355090 573380401 /nfs/dbraw/zinc/38/04/01/573380401.db2.gz PWSTUENVUHZGDE-DTWKUNHWSA-N 0 0 170.252 1.764 10 0 ADAERN Cc1cc(C(F)(F)F)c[n+]([O-])c1C 117985779 573380415 /nfs/dbraw/zinc/38/04/15/573380415.db2.gz WJRXXHWJGWTIQH-UHFFFAOYSA-N 0 0 191.152 1.956 10 0 ADAERN CCC[C@H](C)C(=O)N(C)CC(C)=O 308378194 573380434 /nfs/dbraw/zinc/38/04/34/573380434.db2.gz TWDDZDQSGCXVOT-QMMMGPOBSA-N 0 0 185.267 1.470 10 0 ADAERN CC(=O)[C@H](C)CCCCO 86353446 573380437 /nfs/dbraw/zinc/38/04/37/573380437.db2.gz KQAYYMMDWMHIPH-SSDOTTSWSA-N 0 0 144.214 1.374 10 0 ADAERN CONCc1cccc(C2(O)CC2)c1 259431552 573380439 /nfs/dbraw/zinc/38/04/39/573380439.db2.gz OBKMFIOJTKMZRH-UHFFFAOYSA-N 0 0 193.246 1.319 10 0 ADAERN COc1c(C=O)ccnc1C(F)F 238372990 573380440 /nfs/dbraw/zinc/38/04/40/573380440.db2.gz DYRITMDCJCJWAN-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CC(=O)[C@H](C)Cc1ccncc1 86353288 573380443 /nfs/dbraw/zinc/38/04/43/573380443.db2.gz CBHJDDAFLBJWJV-MRVPVSSYSA-N 0 0 163.220 1.849 10 0 ADAERN C[C@@H](O)c1sccc1CO 117982383 573380444 /nfs/dbraw/zinc/38/04/44/573380444.db2.gz TULYSDBWZXPQEX-RXMQYKEDSA-N 0 0 158.222 1.294 10 0 ADAERN Cc1n[nH]c2ccc(C=O)c(F)c12 259431596 573380451 /nfs/dbraw/zinc/38/04/51/573380451.db2.gz ODASMEYILXIZQO-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN CC[C@@H](C1CC1)n1nccc1N 83056964 573380456 /nfs/dbraw/zinc/38/04/56/573380456.db2.gz UQIDDNYDNNVZKQ-QMMMGPOBSA-N 0 0 165.240 1.826 10 0 ADAERN CCN1C[C@@H](C(C)(C)C)N(C)C1=O 259431495 573380461 /nfs/dbraw/zinc/38/04/61/573380461.db2.gz LVPLGOCQBIDJFZ-QMMMGPOBSA-N 0 0 184.283 1.788 10 0 ADAERN O=C1CCC[C@H]1Cc1ncccn1 86354103 573380465 /nfs/dbraw/zinc/38/04/65/573380465.db2.gz HVDGNMUZBYHLSE-QMMMGPOBSA-N 0 0 176.219 1.388 10 0 ADAERN CC(=O)[C@H](C)Cc1nonc1C 86353497 573380471 /nfs/dbraw/zinc/38/04/71/573380471.db2.gz SFGDDEWGCLCREA-RXMQYKEDSA-N 0 0 168.196 1.146 10 0 ADAERN CC[C@]1(C2CC2)C[NH2+]C[C@@H]1C(=O)[O-] 83059164 573381369 /nfs/dbraw/zinc/38/13/69/573381369.db2.gz HQBDTVWCCPFCRS-PSASIEDQSA-N 0 0 183.251 1.097 10 0 ADAERN CCC(C)(C)OCCN1CCC(=O)C1 308568054 573381371 /nfs/dbraw/zinc/38/13/71/573381371.db2.gz UKGMWCIMRDQWHS-UHFFFAOYSA-N 0 0 199.294 1.466 10 0 ADAERN O=C1c2ccccc2CC[C@@H]1CCO 86354489 573381384 /nfs/dbraw/zinc/38/13/84/573381384.db2.gz CJNRGDIAIBFJIU-SNVBAGLBSA-N 0 0 190.242 1.814 10 0 ADAERN CO[C@@H](c1ccccc1)[C@@H](C)NN 126154299 573381386 /nfs/dbraw/zinc/38/13/86/573381386.db2.gz YUDVAOMDOXKLTO-PSASIEDQSA-N 0 0 180.251 1.226 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2ccccc2C1=O 86354398 573381392 /nfs/dbraw/zinc/38/13/92/573381392.db2.gz VYUADIULXMPEKK-WCBMZHEXSA-N 0 0 190.242 1.813 10 0 ADAERN CC[C@](O)(C1CC1)[C@@H]1CCOC1 83058361 573381348 /nfs/dbraw/zinc/38/13/48/573381348.db2.gz DJZDMTCDYWXWSP-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN C/C=C\CCNC(=O)[C@@H]1CC[C@@H](C)O1 308378435 573381353 /nfs/dbraw/zinc/38/13/53/573381353.db2.gz QHQXNFQYWDSEPL-QKMQQOOLSA-N 0 0 197.278 1.636 10 0 ADAERN C[C@H](O)C[C@H]1Cc2ccccc2C1=O 86354401 573381361 /nfs/dbraw/zinc/38/13/61/573381361.db2.gz VYUADIULXMPEKK-WPRPVWTQSA-N 0 0 190.242 1.813 10 0 ADAERN CC[C@H](O)C[C@@H]1CCCC1=O 86354128 573381405 /nfs/dbraw/zinc/38/14/05/573381405.db2.gz JKODLEZROPNDJN-YUMQZZPRSA-N 0 0 156.225 1.517 10 0 ADAERN OCCCCC1=C[C@H](O)CCC1 238653647 573381409 /nfs/dbraw/zinc/38/14/09/573381409.db2.gz NTZRFSHXJWQDJR-SNVBAGLBSA-N 0 0 170.252 1.620 10 0 ADAERN CC[C@H](O)C[C@@H](C)C(C)=O 86353565 573381411 /nfs/dbraw/zinc/38/14/11/573381411.db2.gz UGEBUVLNVNNGTQ-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN COc1c(O)cccc1C[C@H](C)O 258011279 573381413 /nfs/dbraw/zinc/38/14/13/573381413.db2.gz HICFPZZHHPTNNR-ZETCQYMHSA-N 0 0 182.219 1.324 10 0 ADAERN Cc1c(C[C@H](C)O)ccc2c1OCO2 258011367 573381429 /nfs/dbraw/zinc/38/14/29/573381429.db2.gz HJOLZWLRWGCMIT-ZETCQYMHSA-N 0 0 194.230 1.647 10 0 ADAERN CC(C)C(=O)C[C@H]1CCC[C@H]1O 86353135 573381655 /nfs/dbraw/zinc/38/16/55/573381655.db2.gz ZMIKGGRPELZQKD-RKDXNWHRSA-N 0 0 170.252 1.763 10 0 ADAERN CC(=O)[C@@H](C)[C@H]1CCOC1 86353276 573381447 /nfs/dbraw/zinc/38/14/47/573381447.db2.gz GTKAMPONAYKWBG-SVRRBLITSA-N 0 0 142.198 1.248 10 0 ADAERN CCC(=O)C[C@H](C)COC 86352928 573381453 /nfs/dbraw/zinc/38/14/53/573381453.db2.gz BFOOCIYGTBJMTH-ZETCQYMHSA-N 0 0 144.214 1.638 10 0 ADAERN COC(=O)C12CCC(CC1)C[C@H]2O 238375550 573381458 /nfs/dbraw/zinc/38/14/58/573381458.db2.gz OBTAPKJBIBSOPG-CCNFQMFXSA-N 0 0 184.235 1.101 10 0 ADAERN COc1cncc(N(C)C2CC2)c1 238375383 573381466 /nfs/dbraw/zinc/38/14/66/573381466.db2.gz KRESPJNJLKGVTM-UHFFFAOYSA-N 0 0 178.235 1.689 10 0 ADAERN CC[C@@]1(C2CC2)CC(=O)CCO1 83059191 573381482 /nfs/dbraw/zinc/38/14/82/573381482.db2.gz NJYLEEDDLOKRFM-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CC(C)(C)OCCN1CCC(=O)C1 308566509 573381529 /nfs/dbraw/zinc/38/15/29/573381529.db2.gz NSWBMNQDKOJFRI-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN O=C1CCC[C@@H]1CCCCO 86354068 573381535 /nfs/dbraw/zinc/38/15/35/573381535.db2.gz VKOCPUGIIVAZNO-QMMMGPOBSA-N 0 0 156.225 1.518 10 0 ADAERN CC(C)CON[C@@H]1CCC[C@@H]1O 133177570 573381540 /nfs/dbraw/zinc/38/15/40/573381540.db2.gz VTGBBFONCWXYSK-BDAKNGLRSA-N 0 0 173.256 1.077 10 0 ADAERN CC(C)CNC(=O)c1ccno1 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573385200 /nfs/dbraw/zinc/38/52/00/573385200.db2.gz STECZUKWWOFHPR-UHFFFAOYSA-N 0 0 168.196 1.123 10 0 ADAERN COc1ccccc1[C@H]1C[C@@H]1C(N)=O 238375241 573385202 /nfs/dbraw/zinc/38/52/02/573385202.db2.gz MALRQNROLJSVTF-BDAKNGLRSA-N 0 0 191.230 1.284 10 0 ADAERN C[C@H](O)CC[C@H]1CCCCO1 86358194 573385204 /nfs/dbraw/zinc/38/52/04/573385204.db2.gz KSRAZMDZHSPGDC-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN O[C@@H]1CCC[C@H]1CC1(O)CCCC1 86357684 573385210 /nfs/dbraw/zinc/38/52/10/573385210.db2.gz CDLGEOCQNOFNEH-VHSXEESVSA-N 0 0 184.279 1.843 10 0 ADAERN O[C@H]1CCC[C@@H]1Cc1cccnc1 86357843 573385238 /nfs/dbraw/zinc/38/52/38/573385238.db2.gz JXNRMWYJXQDKNM-MNOVXSKESA-N 0 0 177.247 1.785 10 0 ADAERN O[C@H]1CCC[C@@H]1CC1(O)CCCC1 86357682 573385244 /nfs/dbraw/zinc/38/52/44/573385244.db2.gz CDLGEOCQNOFNEH-ZJUUUORDSA-N 0 0 184.279 1.843 10 0 ADAERN CC(=O)[C@@]1(F)CCSC1 258641426 573385247 /nfs/dbraw/zinc/38/52/47/573385247.db2.gz YWGOGWDKQFJSEZ-ZCFIWIBFSA-N 0 0 148.202 1.421 10 0 ADAERN 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O[C@@H]1CCCC[C@H]1C[C@@H]1CCOC1 86359702 573384835 /nfs/dbraw/zinc/38/48/35/573384835.db2.gz UJDCXQFXGYRNHC-GARJFASQSA-N 0 0 184.279 1.964 10 0 ADAERN CC[C@H](O)C[C@@H]1CCOC1 86359321 573384844 /nfs/dbraw/zinc/38/48/44/573384844.db2.gz DQNLEBIHSUQAPK-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CC[C@H](O)C[C@@H]1CCCC[C@@H]1O 86359327 573384856 /nfs/dbraw/zinc/38/48/56/573384856.db2.gz GCUTUWHXQXVQTQ-GUBZILKMSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@@H](O)CCc1cscn1 86358241 573384863 /nfs/dbraw/zinc/38/48/63/573384863.db2.gz CJZLOOFWDPDOCX-ZCFIWIBFSA-N 0 0 157.238 1.457 10 0 ADAERN COc1c(Cl)c[n+]([O-])c(C)c1C 118055194 573384865 /nfs/dbraw/zinc/38/48/65/573384865.db2.gz WNQHNMXHQHIQAE-UHFFFAOYSA-N 0 0 187.626 1.599 10 0 ADAERN CC[C@@H](O)C[C@@H]1CCOC1 86359322 573384867 /nfs/dbraw/zinc/38/48/67/573384867.db2.gz DQNLEBIHSUQAPK-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN O=C(C[C@H]1CCCC[C@@H]1O)C1CC1 86356719 573384876 /nfs/dbraw/zinc/38/48/76/573384876.db2.gz NMMFRDSQUJICNE-ZJUUUORDSA-N 0 0 182.263 1.907 10 0 ADAERN CC[C@@H](C)NC(=O)c1cnc(C)o1 74733916 573384884 /nfs/dbraw/zinc/38/48/84/573384884.db2.gz VAFRYGYLBPOYAQ-ZCFIWIBFSA-N 0 0 182.223 1.511 10 0 ADAERN O=C(C[C@@H]1CCCC[C@H]1O)C1CC1 86356718 573384885 /nfs/dbraw/zinc/38/48/85/573384885.db2.gz NMMFRDSQUJICNE-VHSXEESVSA-N 0 0 182.263 1.907 10 0 ADAERN CC(C)(C)[C@H](O)CCCO 86359055 573384890 /nfs/dbraw/zinc/38/48/90/573384890.db2.gz YZMQAPHVUWXTLY-SSDOTTSWSA-N 0 0 146.230 1.166 10 0 ADAERN CC(C)[C@H](O)C[C@@H]1CCCC[C@@H]1O 86359559 573384903 /nfs/dbraw/zinc/38/49/03/573384903.db2.gz SNWIGWMZTXVOFG-GARJFASQSA-N 0 0 186.295 1.945 10 0 ADAERN O[C@@H](C[C@@H]1CCC[C@H]1O)C(F)(F)F 86357744 573384922 /nfs/dbraw/zinc/38/49/22/573384922.db2.gz FHMZFMUICBRUDC-XVMARJQXSA-N 0 0 198.184 1.461 10 0 ADAERN O[C@@H]1CCCC[C@@H]1C[C@@H]1CCOC1 86359706 573384967 /nfs/dbraw/zinc/38/49/67/573384967.db2.gz UJDCXQFXGYRNHC-HBNTYKKESA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)(O)C[C@@H]1CCC[C@H]1O 86357593 573384976 /nfs/dbraw/zinc/38/49/76/573384976.db2.gz NNCNRMZPGNXCHI-JGVFFNPUSA-N 0 0 158.241 1.308 10 0 ADAERN CC[C@@H](O)CCC(F)F 86359264 573384987 /nfs/dbraw/zinc/38/49/87/573384987.db2.gz NEMYQTFEWSWXHC-RXMQYKEDSA-N 0 0 138.157 1.803 10 0 ADAERN CCOC(=O)CN[C@H]1CC12CCCC2 308567323 573384991 /nfs/dbraw/zinc/38/49/91/573384991.db2.gz BAVHGDXJNLVQCW-VIFPVBQESA-N 0 0 197.278 1.472 10 0 ADAERN CC(C)(C)NC(=O)N[C@H]1CCCO1 74753838 573384992 /nfs/dbraw/zinc/38/49/92/573384992.db2.gz YQEAXEADCHUWGQ-SSDOTTSWSA-N 0 0 186.255 1.221 10 0 ADAERN CCC[C@H](O)CC[C@@H](C)O 86358795 573384994 /nfs/dbraw/zinc/38/49/94/573384994.db2.gz AZVKGHXATHHFRF-SFYZADRCSA-N 0 0 146.230 1.308 10 0 ADAERN CC(=O)[C@@H](C(C)C)[C@H]1CCOC1 86356340 573385007 /nfs/dbraw/zinc/38/50/07/573385007.db2.gz UDQYTWBJGMJJMO-VHSXEESVSA-N 0 0 170.252 1.884 10 0 ADAERN Cc1cccc(C[C@H](C)[C@H](C)O)n1 86360134 573385310 /nfs/dbraw/zinc/38/53/10/573385310.db2.gz WXRGHIYSSQVUFZ-WPRPVWTQSA-N 0 0 179.263 1.949 10 0 ADAERN C[C@@H](O)[C@H](C)CC(F)F 86360082 573385013 /nfs/dbraw/zinc/38/50/13/573385013.db2.gz FLOTTWZOLKLPBB-RFZPGFLSSA-N 0 0 138.157 1.659 10 0 ADAERN COc1cc(OC)c2c(c1C)C[C@H]2O 238375232 573385018 /nfs/dbraw/zinc/38/50/18/573385018.db2.gz ORLXHNHCKLKIGG-MRVPVSSYSA-N 0 0 194.230 1.602 10 0 ADAERN CC[C@H](O)C[C@H]1CCC[C@@H]1O 86357668 573385036 /nfs/dbraw/zinc/38/50/36/573385036.db2.gz ODEUAZHMAQUWSB-VGMNWLOBSA-N 0 0 158.241 1.308 10 0 ADAERN CC(C)[C@@]1(C)C(=O)CCN1C 107158482 573385063 /nfs/dbraw/zinc/38/50/63/573385063.db2.gz UBMJWKDSLPYNFK-VIFPVBQESA-N 0 0 155.241 1.306 10 0 ADAERN CC1(C)COC(c2ccc(O)cc2)=N1 117998850 573385069 /nfs/dbraw/zinc/38/50/69/573385069.db2.gz ZHEBOGJEFDFDSQ-UHFFFAOYSA-N 0 0 191.230 1.948 10 0 ADAERN Oc1cccc2c1[C@H](O)CCCN2 257803107 573385313 /nfs/dbraw/zinc/38/53/13/573385313.db2.gz PUAAOYJEPKXASK-SECBINFHSA-N 0 0 179.219 1.631 10 0 ADAERN COc1ccc(Cl)c2c1C(=O)NC2 238375668 573385072 /nfs/dbraw/zinc/38/50/72/573385072.db2.gz WVQREULYMVDXFX-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN OCCCCC[C@@H]1CCC[C@H]1O 86357697 573385075 /nfs/dbraw/zinc/38/50/75/573385075.db2.gz SZEAGTBBGWIBPN-NXEZZACHSA-N 0 0 172.268 1.700 10 0 ADAERN C[C@H]1CCN(C(=O)C(F)F)[C@@H](C)C1 235579066 573385077 /nfs/dbraw/zinc/38/50/77/573385077.db2.gz LLOIKZLLZUFSFV-BQBZGAKWSA-N 0 0 191.221 1.899 10 0 ADAERN COc1cc(N)c(OC)c(C)c1C 238375344 573385080 /nfs/dbraw/zinc/38/50/80/573385080.db2.gz GTLMOMTTXHJFAK-UHFFFAOYSA-N 0 0 181.235 1.903 10 0 ADAERN Cn1cc(O)c(=O)cc1C(F)F 118076890 573385081 /nfs/dbraw/zinc/38/50/81/573385081.db2.gz SNGJAFIQGRZLBK-UHFFFAOYSA-N 0 0 175.134 1.029 10 0 ADAERN COC(=O)C12CCC(CC1)[C@@H](O)C2 238375579 573385087 /nfs/dbraw/zinc/38/50/87/573385087.db2.gz POMWHVARDXFTPH-ZCUBBSJVSA-N 0 0 184.235 1.101 10 0 ADAERN CCC1(CC)C(=O)CCN1C 107158486 573385089 /nfs/dbraw/zinc/38/50/89/573385089.db2.gz HREJJJSOOCZTAC-UHFFFAOYSA-N 0 0 155.241 1.450 10 0 ADAERN CCC1(C(=O)N2CCC[C@@H]2CO)CC1 308568132 573385099 /nfs/dbraw/zinc/38/50/99/573385099.db2.gz BGPBTGXYDOFTCD-SECBINFHSA-N 0 0 197.278 1.160 10 0 ADAERN O=c1[nH]nc2c3ccccc3ccn12 118081924 573385111 /nfs/dbraw/zinc/38/51/11/573385111.db2.gz AZZBMDDCUSRXEA-UHFFFAOYSA-N 0 0 185.186 1.176 10 0 ADAERN C[C@H](O)CCCC1CC1 86358095 573385125 /nfs/dbraw/zinc/38/51/25/573385125.db2.gz NJDMSHCENRLBFZ-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN O[C@@H]1CCC[C@@H]1CC(F)F 86357703 573385132 /nfs/dbraw/zinc/38/51/32/573385132.db2.gz FZSVBMNSNWJMNT-PHDIDXHHSA-N 0 0 150.168 1.803 10 0 ADAERN C/C=C/CCNC(=O)[C@@H](C)COC 308373095 573385135 /nfs/dbraw/zinc/38/51/35/573385135.db2.gz QYZOSYJYBAIPAM-MOVJSRMASA-N 0 0 185.267 1.351 10 0 ADAERN COC(=O)C12CCCC(CCC1)[C@H]2O 238375699 573385154 /nfs/dbraw/zinc/38/51/54/573385154.db2.gz ANPRRYPCLLELMG-INWMGODYSA-N 0 0 198.262 1.491 10 0 ADAERN COC(=O)C1=C(C)CC(=S)N[C@@H]1C 238376496 573386862 /nfs/dbraw/zinc/38/68/62/573386862.db2.gz KOWXSFGJMGOVEJ-ZCFIWIBFSA-N 0 0 199.275 1.185 10 0 ADAERN O[C@H]1CCCC[C@H]1Cc1ncccn1 86359826 573386828 /nfs/dbraw/zinc/38/68/28/573386828.db2.gz XHVPGTCHNCWZGS-UWVGGRQHSA-N 0 0 192.262 1.570 10 0 ADAERN C[C@]1([C@H]2CCSC2)CNC(=O)O1 258641485 573386983 /nfs/dbraw/zinc/38/69/83/573386983.db2.gz WRYZTTQFSCVZQH-POYBYMJQSA-N 0 0 187.264 1.238 10 0 ADAERN COc1cc(N)cc2c1CCCC2=O 238377252 573386880 /nfs/dbraw/zinc/38/68/80/573386880.db2.gz ZOTGJAATGDTCRO-UHFFFAOYSA-N 0 0 191.230 1.796 10 0 ADAERN COc1nc2c([C@H](C)O)cccc2o1 258011554 573386976 /nfs/dbraw/zinc/38/69/76/573386976.db2.gz HMRLMOFAZUWKMZ-LURJTMIESA-N 0 0 193.202 1.890 10 0 ADAERN COC(=O)C1=C(C)CC(=S)N[C@H]1C 238376511 573387575 /nfs/dbraw/zinc/38/75/75/573387575.db2.gz KOWXSFGJMGOVEJ-LURJTMIESA-N 0 0 199.275 1.185 10 0 ADAERN C[C@@H]1C[C@@H]1F 78215207 573387576 /nfs/dbraw/zinc/38/75/76/573387576.db2.gz WNBMPCSKLWIYKM-DMTCNVIQSA-N 0 0 74.098 1.364 10 0 ADAERN CCCCNC(=O)c1cnc(C)o1 74733914 573387583 /nfs/dbraw/zinc/38/75/83/573387583.db2.gz FMGBMDMPWQCUDN-UHFFFAOYSA-N 0 0 182.223 1.513 10 0 ADAERN Cc1cccc2c1[C@@H](O)CCC(=O)N2 257802780 573387288 /nfs/dbraw/zinc/38/72/88/573387288.db2.gz PCMZFCDJTZYTQC-VIFPVBQESA-N 0 0 191.230 1.761 10 0 ADAERN C[C@@H]1CCn2c(cnc2C=O)C1 107160381 573387592 /nfs/dbraw/zinc/38/75/92/573387592.db2.gz GQGICWVYLRNQHR-SSDOTTSWSA-N 0 0 164.208 1.278 10 0 ADAERN CC(CO)(CO)c1cccc(F)c1 86371337 573387593 /nfs/dbraw/zinc/38/75/93/573387593.db2.gz SCZQILONQSOYMD-UHFFFAOYSA-N 0 0 184.210 1.068 10 0 ADAERN CO[C@H]1O[C@@H](C)[C@@H](C)C(=O)[C@@H]1C 238377058 573386573 /nfs/dbraw/zinc/38/65/73/573386573.db2.gz CWCIJBMQZVJYEF-XKBZYTNZSA-N 0 0 172.224 1.219 10 0 ADAERN CC(=O)[C@H](CCO)C(C)C 86356328 573386577 /nfs/dbraw/zinc/38/65/77/573386577.db2.gz XTPKPWNIEJMIJQ-MRVPVSSYSA-N 0 0 144.214 1.230 10 0 ADAERN CCCn1cncc1C(=O)OCC 259435391 573387568 /nfs/dbraw/zinc/38/75/68/573387568.db2.gz URHMCZCFSQXVIB-UHFFFAOYSA-N 0 0 182.223 1.470 10 0 ADAERN COC(=O)c1[nH]cc2c1CCC2 238376828 573386590 /nfs/dbraw/zinc/38/65/90/573386590.db2.gz WFESXAMYAVMFPN-UHFFFAOYSA-N 0 0 165.192 1.290 10 0 ADAERN COc1cc(N)cc2c1C(=O)CCO2 238377302 573386598 /nfs/dbraw/zinc/38/65/98/573386598.db2.gz LIGREJKCVJPORM-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN COC(=O)c1cc([C@@H](C)[NH3+])co1 238376685 573386611 /nfs/dbraw/zinc/38/66/11/573386611.db2.gz DISWQCOBYDTRTM-RXMQYKEDSA-N 0 0 169.180 1.086 10 0 ADAERN Nc1cc2c3ccccc3ncn2n1 258012154 573386613 /nfs/dbraw/zinc/38/66/13/573386613.db2.gz NBNNJTBASHOIDL-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN Cc1nonc1C[C@H]1CCCC[C@H]1O 86359801 573386617 /nfs/dbraw/zinc/38/66/17/573386617.db2.gz ANJDIVILKQFEDW-PSASIEDQSA-N 0 0 196.250 1.472 10 0 ADAERN C[C@H](O)C[C@H]1CCCCC[C@@H]1O 86358247 573386623 /nfs/dbraw/zinc/38/66/23/573386623.db2.gz PXBMGUMSNJIGAP-AEJSXWLSSA-N 0 0 172.268 1.699 10 0 ADAERN COc1ccc(F)c(CON)c1F 258011519 573386624 /nfs/dbraw/zinc/38/66/24/573386624.db2.gz HLZHVQQOTOPBDS-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN CC[C@H](O)CCc1cscn1 86359347 573386639 /nfs/dbraw/zinc/38/66/39/573386639.db2.gz GJNOOTLRHRGKOY-QMMMGPOBSA-N 0 0 171.265 1.847 10 0 ADAERN Cc1cccc2cc(C=O)nn12 107159361 573386640 /nfs/dbraw/zinc/38/66/40/573386640.db2.gz QRIAHAAQRBDDOH-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@@H]1C[C@@H](C)[C@H]1C 308568270 573386642 /nfs/dbraw/zinc/38/66/42/573386642.db2.gz IXHCVGNYXRTHDL-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN CCN(CC)C(=O)N[C@@H]1CCCO1 74753825 573387571 /nfs/dbraw/zinc/38/75/71/573387571.db2.gz BMJSJBKHWRIHCE-QMMMGPOBSA-N 0 0 186.255 1.174 10 0 ADAERN COC1=C[C@H](CO)CC[C@H]1C 238377617 573386651 /nfs/dbraw/zinc/38/66/51/573386651.db2.gz VDUACZBBCSSVKR-HTQZYQBOSA-N 0 0 156.225 1.555 10 0 ADAERN CC(=O)[C@@H](C[C@@H](C)O)C(C)C 86356386 573386657 /nfs/dbraw/zinc/38/66/57/573386657.db2.gz GSEZATGKYBCNPC-APPZFPTMSA-N 0 0 158.241 1.619 10 0 ADAERN Cc1ncc(C(=O)NC(C)C)o1 74733911 573386662 /nfs/dbraw/zinc/38/66/62/573386662.db2.gz DZLBLQGPCSMHSL-UHFFFAOYSA-N 0 0 168.196 1.121 10 0 ADAERN C[C@@H]1CCCn2c1cnc2CCO 258013258 573386666 /nfs/dbraw/zinc/38/66/66/573386666.db2.gz BOSQYDXYCXGKBM-MRVPVSSYSA-N 0 0 180.251 1.315 10 0 ADAERN CCC[C@@H](O)CC[C@@H](C)O 86358797 573386693 /nfs/dbraw/zinc/38/66/93/573386693.db2.gz AZVKGHXATHHFRF-HTQZYQBOSA-N 0 0 146.230 1.308 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Cc1ncccn1 86359832 573386697 /nfs/dbraw/zinc/38/66/97/573386697.db2.gz XHVPGTCHNCWZGS-NXEZZACHSA-N 0 0 192.262 1.570 10 0 ADAERN CSCc1ccc(C(=N)NO)o1 238377526 573386704 /nfs/dbraw/zinc/38/67/04/573386704.db2.gz RLDYTBRTLKKCMY-UHFFFAOYSA-N 0 0 186.236 1.447 10 0 ADAERN O=Cc1ccc2n1C(=O)CCC2 258012108 573386705 /nfs/dbraw/zinc/38/67/05/573386705.db2.gz NAHQDUNUAYCLCA-UHFFFAOYSA-N 0 0 163.176 1.277 10 0 ADAERN COC1=C[C@@H](CO)CC[C@H]1C 238376527 573386710 /nfs/dbraw/zinc/38/67/10/573386710.db2.gz VDUACZBBCSSVKR-SFYZADRCSA-N 0 0 156.225 1.555 10 0 ADAERN FC(F)CNOCC(F)(F)F 133186049 573386711 /nfs/dbraw/zinc/38/67/11/573386711.db2.gz BQYYZXRLUOVRNE-UHFFFAOYSA-N 0 0 179.088 1.335 10 0 ADAERN COc1ccc(O)c(C(F)F)n1 238376206 573386717 /nfs/dbraw/zinc/38/67/17/573386717.db2.gz GLTIGTZAOBTPDW-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN CC[C@@H](CC(C)(C)O)[C@H](C)O 86358321 573386718 /nfs/dbraw/zinc/38/67/18/573386718.db2.gz XODAUAGJBKFWPK-YUMQZZPRSA-N 0 0 160.257 1.554 10 0 ADAERN C/C=C\CCNC(=O)[C@H](C)COC 308373552 573386731 /nfs/dbraw/zinc/38/67/31/573386731.db2.gz QYZOSYJYBAIPAM-XRVBUDJMSA-N 0 0 185.267 1.351 10 0 ADAERN COc1ccc([C@H](O)C2(O)CC2)cc1 238376790 573386743 /nfs/dbraw/zinc/38/67/43/573386743.db2.gz QJIMBRMRFANZAY-JTQLQIEISA-N 0 0 194.230 1.254 10 0 ADAERN CC(C)[C@H](O)C[C@H]1CCC[C@@H]1O 86359402 573386747 /nfs/dbraw/zinc/38/67/47/573386747.db2.gz IZJVDFYDMVPVHF-KXUCPTDWSA-N 0 0 172.268 1.554 10 0 ADAERN O[C@H]1CCC[C@H]1Cc1ncccn1 86357812 573386751 /nfs/dbraw/zinc/38/67/51/573386751.db2.gz PEMBYNJGZBENLJ-IUCAKERBSA-N 0 0 178.235 1.180 10 0 ADAERN C[C@@H](O)CC[C@@H](O)C(F)(F)F 86358148 573386757 /nfs/dbraw/zinc/38/67/57/573386757.db2.gz BXPJDNWOHZMLMW-RFZPGFLSSA-N 0 0 172.146 1.071 10 0 ADAERN OCCCC[C@H]1CCC[C@H]1O 86357629 573386761 /nfs/dbraw/zinc/38/67/61/573386761.db2.gz ZRXWZCPMKPQXBU-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN CC(C)CONCC1(C)COC1 133171459 573386772 /nfs/dbraw/zinc/38/67/72/573386772.db2.gz GJUCLNDPWWXZAC-UHFFFAOYSA-N 0 0 173.256 1.200 10 0 ADAERN CC[C@H](Cc1nonc1C)[C@@H](C)O 86358522 573386773 /nfs/dbraw/zinc/38/67/73/573386773.db2.gz LFTBCLFTJRFQLJ-HTQZYQBOSA-N 0 0 184.239 1.328 10 0 ADAERN CC[C@@H](F)CN(CC)CC(=O)OC 308373561 573386783 /nfs/dbraw/zinc/38/67/83/573386783.db2.gz QZYWRNSLSUEEEI-MRVPVSSYSA-N 0 0 191.246 1.229 10 0 ADAERN CC[C@H](C1CCOCC1)[C@@H](C)O 86358304 573386789 /nfs/dbraw/zinc/38/67/89/573386789.db2.gz OFSOUSCTDAHDAP-SCZZXKLOSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)(C)[C@H](O)C[C@@H]1CCOC1 86359184 573386793 /nfs/dbraw/zinc/38/67/93/573386793.db2.gz PDJOSGIPAPLJTJ-DTWKUNHWSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H](O)c1cccc2c1NC(=O)C2 258012233 573386800 /nfs/dbraw/zinc/38/68/00/573386800.db2.gz NDVKJUAPXPPCOP-ZCFIWIBFSA-N 0 0 177.203 1.235 10 0 ADAERN CCC(=O)[C@@H](C)[C@H]1CCOC1 86356833 573386803 /nfs/dbraw/zinc/38/68/03/573386803.db2.gz GILNCEHVVKLAFW-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN FC(F)(F)CONCCC1CC1 133185430 573386804 /nfs/dbraw/zinc/38/68/04/573386804.db2.gz ZGIIHFQPPYFTBG-UHFFFAOYSA-N 0 0 183.173 1.870 10 0 ADAERN Cc1nonc1C[C@H]1CCC[C@@H]1O 86357766 573386811 /nfs/dbraw/zinc/38/68/11/573386811.db2.gz ATLRLNAHGXGBRS-APPZFPTMSA-N 0 0 182.223 1.082 10 0 ADAERN C[C@H](O)c1cccc2c1NC(=O)C2 258012231 573386819 /nfs/dbraw/zinc/38/68/19/573386819.db2.gz NDVKJUAPXPPCOP-LURJTMIESA-N 0 0 177.203 1.235 10 0 ADAERN Cc1nonc1C[C@H]1CCC[C@H]1O 86357771 573386825 /nfs/dbraw/zinc/38/68/25/573386825.db2.gz ATLRLNAHGXGBRS-VXNVDRBHSA-N 0 0 182.223 1.082 10 0 ADAERN Cc1cccc2c1[C@H](O)CCC(=O)N2 257802779 573386830 /nfs/dbraw/zinc/38/68/30/573386830.db2.gz PCMZFCDJTZYTQC-SECBINFHSA-N 0 0 191.230 1.761 10 0 ADAERN O=C1CCN[C@H]1c1cccs1 107161646 573387603 /nfs/dbraw/zinc/38/76/03/573387603.db2.gz RLWCBNJWJVUYDN-MRVPVSSYSA-N 0 0 167.233 1.352 10 0 ADAERN CCOc1cncc([C@@H](C)[NH2+]C)c1 124245692 573387604 /nfs/dbraw/zinc/38/76/04/573387604.db2.gz JIOJUGSROPACJX-MRVPVSSYSA-N 0 0 180.251 1.761 10 0 ADAERN OCCC[C@H]1CCCC[C@@H]1O 86359689 573386836 /nfs/dbraw/zinc/38/68/36/573386836.db2.gz PBZREJKPWKGCSH-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1ncc(C(=O)NC2CCCC2)o1 74733919 573386838 /nfs/dbraw/zinc/38/68/38/573386838.db2.gz MKKDIXMJSLZGMS-UHFFFAOYSA-N 0 0 194.234 1.655 10 0 ADAERN COc1cc(NC[C@@H](C)CO)ccn1 133211086 573386847 /nfs/dbraw/zinc/38/68/47/573386847.db2.gz VOQMPUICCCWUPC-MRVPVSSYSA-N 0 0 196.250 1.131 10 0 ADAERN C[C@H](O)C[C@H]1CCCC[C@@H]1O 86358216 573386858 /nfs/dbraw/zinc/38/68/58/573386858.db2.gz BJYPEHWVIQPVQU-YIZRAAEISA-N 0 0 158.241 1.308 10 0 ADAERN C[C@H](O)CCC(=O)C1CC1 86356670 573386893 /nfs/dbraw/zinc/38/68/93/573386893.db2.gz HWXPMFOXSDUPCC-LURJTMIESA-N 0 0 142.198 1.127 10 0 ADAERN COc1nc(C=O)c2ccccc2n1 238376995 573386907 /nfs/dbraw/zinc/38/69/07/573386907.db2.gz VTPLHUCVUPYMHH-UHFFFAOYSA-N 0 0 188.186 1.451 10 0 ADAERN CC[C@@H](C1CCOCC1)[C@H](C)O 86358306 573386917 /nfs/dbraw/zinc/38/69/17/573386917.db2.gz OFSOUSCTDAHDAP-WCBMZHEXSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@H](C1CCOCC1)[C@H](C)O 86358308 573386924 /nfs/dbraw/zinc/38/69/24/573386924.db2.gz OFSOUSCTDAHDAP-WPRPVWTQSA-N 0 0 172.268 1.820 10 0 ADAERN O[C@H]1CCC[C@@H]1CC(F)F 86357706 573386930 /nfs/dbraw/zinc/38/69/30/573386930.db2.gz FZSVBMNSNWJMNT-RITPCOANSA-N 0 0 150.168 1.803 10 0 ADAERN COC1=C[C@@H](C)CC[C@@H]1O 238376262 573386932 /nfs/dbraw/zinc/38/69/32/573386932.db2.gz YZZSCMZSHKLGLY-BQBZGAKWSA-N 0 0 142.198 1.308 10 0 ADAERN COC1=C[C@H](C)CC[C@H]1O 238377467 573386962 /nfs/dbraw/zinc/38/69/62/573386962.db2.gz YZZSCMZSHKLGLY-RNFRBKRXSA-N 0 0 142.198 1.308 10 0 ADAERN CC(C)CON[C@H]1CCC[C@H]1O 133178224 573386965 /nfs/dbraw/zinc/38/69/65/573386965.db2.gz VTGBBFONCWXYSK-DTWKUNHWSA-N 0 0 173.256 1.077 10 0 ADAERN Cc1nonc1C[C@@H]1CCCC[C@@H]1O 86359795 573386974 /nfs/dbraw/zinc/38/69/74/573386974.db2.gz ANJDIVILKQFEDW-WPRPVWTQSA-N 0 0 196.250 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ADAERN C/C=C\[C@H](O)[C@H](O)c1ccc(O)cc1 308372795 573387212 /nfs/dbraw/zinc/38/72/12/573387212.db2.gz URVWSNXWVXZUDP-MMJBKMRYSA-N 0 0 194.230 1.363 10 0 ADAERN COCCc1noc(C2CCC2)n1 308372404 573387218 /nfs/dbraw/zinc/38/72/18/573387218.db2.gz QQWLDHLSYMEYBS-UHFFFAOYSA-N 0 0 182.223 1.526 10 0 ADAERN CCC[C@H](NN)[C@H]1C[C@@H]1OCC 689883675 573387236 /nfs/dbraw/zinc/38/72/36/573387236.db2.gz FMPTZUKGWHJLIC-VGMNWLOBSA-N 0 0 172.272 1.043 10 0 ADAERN O=c1ccc2cc(F)cc(O)c2[nH]1 118210983 573387304 /nfs/dbraw/zinc/38/73/04/573387304.db2.gz LFQOOVNHKOJQJB-UHFFFAOYSA-N 0 0 179.150 1.785 10 0 ADAERN CCC[C@H](NN)[C@@H]1C[C@@H]1OCC 689883652 573387318 /nfs/dbraw/zinc/38/73/18/573387318.db2.gz FMPTZUKGWHJLIC-CIUDSAMLSA-N 0 0 172.272 1.043 10 0 ADAERN COc1cc(C)cc2c(CO)c[nH]c12 238377328 573387322 /nfs/dbraw/zinc/38/73/22/573387322.db2.gz MNUHWIXXZSTUSV-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN COC1=C[C@@H](O)CC(C)(C)C1 238376610 573387386 /nfs/dbraw/zinc/38/73/86/573387386.db2.gz 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198.306 1.945 10 0 ADAERN C/C=C/CCNC(=O)[C@H](C)COC 308373550 573387682 /nfs/dbraw/zinc/38/76/82/573387682.db2.gz QYZOSYJYBAIPAM-XNPJLODASA-N 0 0 185.267 1.351 10 0 ADAERN C[C@@H](O)[C@H](C)Cc1ncccn1 86360248 573387689 /nfs/dbraw/zinc/38/76/89/573387689.db2.gz BMZGIMQUBQMXFN-HTQZYQBOSA-N 0 0 166.224 1.036 10 0 ADAERN Cc1ncc(C(=O)NC(C)(C)C)o1 74734006 573387690 /nfs/dbraw/zinc/38/76/90/573387690.db2.gz GXBSRNJICLBMHE-UHFFFAOYSA-N 0 0 182.223 1.511 10 0 ADAERN CC(C)Cn1cc(O)ccc1=O 258495255 573387693 /nfs/dbraw/zinc/38/76/93/573387693.db2.gz KMSQNSJUWLSNKT-UHFFFAOYSA-N 0 0 167.208 1.210 10 0 ADAERN CCCCNC(=O)N[C@H]1CCCO1 74753657 573387696 /nfs/dbraw/zinc/38/76/96/573387696.db2.gz GXWYQTMYSVWACY-MRVPVSSYSA-N 0 0 186.255 1.222 10 0 ADAERN CC[C@@H](C)NC(=O)N[C@H]1CCCO1 74753662 573387703 /nfs/dbraw/zinc/38/77/03/573387703.db2.gz JWAGMTCFDOPQIG-HTQZYQBOSA-N 0 0 186.255 1.221 10 0 ADAERN O=Cc1ccc(-c2ccco2)nn1 118199270 573387708 /nfs/dbraw/zinc/38/77/08/573387708.db2.gz 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/nfs/dbraw/zinc/38/78/43/573387843.db2.gz NPXVFOHOSJPDAM-ZETCQYMHSA-N 0 0 179.219 1.396 10 0 ADAERN CC[C@H](F)CN(CC)CC(=O)OC 308373562 573387844 /nfs/dbraw/zinc/38/78/44/573387844.db2.gz QZYWRNSLSUEEEI-QMMMGPOBSA-N 0 0 191.246 1.229 10 0 ADAERN Nc1ccc2ncc(Cl)nc2c1N 259434992 573387870 /nfs/dbraw/zinc/38/78/70/573387870.db2.gz KNTKDWIKDQNVMG-UHFFFAOYSA-N 0 0 194.625 1.448 10 0 ADAERN CC(C)CNC(=O)N[C@H]1CCCO1 74753659 573387881 /nfs/dbraw/zinc/38/78/81/573387881.db2.gz JUSGBOVDVVWFTF-MRVPVSSYSA-N 0 0 186.255 1.078 10 0 ADAERN COC1=C[C@@H](O)Cc2ccccc21 238376678 573387896 /nfs/dbraw/zinc/38/78/96/573387896.db2.gz DFKVKOBNWHNUSB-VIFPVBQESA-N 0 0 176.215 1.591 10 0 ADAERN C[C@H]1CC[C@@H](C)N(C(=O)C(F)F)C1 235585413 573387899 /nfs/dbraw/zinc/38/78/99/573387899.db2.gz NRSXNWHEEFWARF-NKWVEPMBSA-N 0 0 191.221 1.899 10 0 ADAERN COC(=O)C1=C(C)CC[C@H](O)C1 238376665 573387903 /nfs/dbraw/zinc/38/79/03/573387903.db2.gz DVYOVGNVVFPDSY-ZETCQYMHSA-N 0 0 170.208 1.021 10 0 ADAERN C[C@H](O)[C@H](C)Cc1ncccn1 86360251 573387906 /nfs/dbraw/zinc/38/79/06/573387906.db2.gz BMZGIMQUBQMXFN-SFYZADRCSA-N 0 0 166.224 1.036 10 0 ADAERN CC(C)[C@H]1C[C@@]1(N)C(F)(F)F 107161438 573387913 /nfs/dbraw/zinc/38/79/13/573387913.db2.gz FIJQXDQPGPRMBP-RITPCOANSA-N 0 0 167.174 1.922 10 0 ADAERN CC[C@H](C)NC(=O)c1cnc(C)o1 74733917 573387924 /nfs/dbraw/zinc/38/79/24/573387924.db2.gz VAFRYGYLBPOYAQ-LURJTMIESA-N 0 0 182.223 1.511 10 0 ADAERN COc1nc(C)cc2c1NC(=O)CC2 238376869 573387931 /nfs/dbraw/zinc/38/79/31/573387931.db2.gz CMNJYIFMMLWUSP-UHFFFAOYSA-N 0 0 192.218 1.283 10 0 ADAERN O=c1ccc(CC2CCOCC2)n[nH]1 259434953 573387933 /nfs/dbraw/zinc/38/79/33/573387933.db2.gz LFTDGDGYTPZIES-UHFFFAOYSA-N 0 0 194.234 1.151 10 0 ADAERN C[N@@H+]1CC[C@H](C/C=C\CC(=O)[O-])C1 258013639 573387943 /nfs/dbraw/zinc/38/79/43/573387943.db2.gz BFQIEYBLULCQAR-XADBCAIWSA-N 0 0 183.251 1.359 10 0 ADAERN O=C(NCCC1CCC1)[C@H]1CCO1 308373005 573387955 /nfs/dbraw/zinc/38/79/55/573387955.db2.gz LXHCCBRDNCSEHG-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](CON)N2 258012340 573387965 /nfs/dbraw/zinc/38/79/65/573387965.db2.gz JBPKODSMGXNGEQ-VIFPVBQESA-N 0 0 178.235 1.222 10 0 ADAERN CCCc1[nH]c(C=CC(=O)[O-])nc1C 258495257 573387977 /nfs/dbraw/zinc/38/79/77/573387977.db2.gz DIRXZQPYYNDDJX-AATRIKPKSA-N 0 0 194.234 1.768 10 0 ADAERN CCOC(=O)c1cc2c[nH]sc-2n1 259435345 573387998 /nfs/dbraw/zinc/38/79/98/573387998.db2.gz UQCHGZREHHYEBG-UHFFFAOYSA-N 0 0 196.231 1.801 10 0 ADAERN COC1=C[C@H](CO)CC[C@@H]1C 238377607 573388002 /nfs/dbraw/zinc/38/80/02/573388002.db2.gz VDUACZBBCSSVKR-JGVFFNPUSA-N 0 0 156.225 1.555 10 0 ADAERN CC(=O)Cc1cc(C2CC2)on1 107160608 573388005 /nfs/dbraw/zinc/38/80/05/573388005.db2.gz FGQZZCDZSGHASB-UHFFFAOYSA-N 0 0 165.192 1.684 10 0 ADAERN CC(C)(O)CC[C@@H](O)C1CC1 86363066 573388011 /nfs/dbraw/zinc/38/80/11/573388011.db2.gz AOMZDKAHXKMWCC-MRVPVSSYSA-N 0 0 158.241 1.308 10 0 ADAERN CC[C@H]1NCC(=O)N1[C@H](C)CC1CC1 126163293 573388015 /nfs/dbraw/zinc/38/80/15/573388015.db2.gz YAJCCGKMPDZTAC-SCZZXKLOSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@H](CCCO)C1 86361146 573388031 /nfs/dbraw/zinc/38/80/31/573388031.db2.gz UTSHHENRVZSRIV-OPRDCNLKSA-N 0 0 172.268 1.556 10 0 ADAERN OCC[C@@H]1Cc2ccccc2[C@@H]1O 86360682 573388038 /nfs/dbraw/zinc/38/80/38/573388038.db2.gz BDJQIJDVEVFHHY-MWLCHTKSSA-N 0 0 178.231 1.275 10 0 ADAERN CC(=O)Cc1c[nH]nc1C1CC1 107160420 573388042 /nfs/dbraw/zinc/38/80/42/573388042.db2.gz BATZLQGSAMFQGU-UHFFFAOYSA-N 0 0 164.208 1.419 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H](CCO)C1 86361052 573388043 /nfs/dbraw/zinc/38/80/43/573388043.db2.gz WXBPPPPCVTTXHP-HLTSFMKQSA-N 0 0 158.241 1.166 10 0 ADAERN CC[C@H](O)[C@H](C)[C@@H]1CCOC1 86363617 573388052 /nfs/dbraw/zinc/38/80/52/573388052.db2.gz BZOQMSHBWCYYIE-HLTSFMKQSA-N 0 0 158.241 1.430 10 0 ADAERN CC(=O)Nc1c(O)cccc1[C@@H](C)O 258011578 573388113 /nfs/dbraw/zinc/38/81/13/573388113.db2.gz HNDWGKKSZWEUBB-ZCFIWIBFSA-N 0 0 195.218 1.404 10 0 ADAERN Cc1c(F)cc(CNO)cc1F 258020054 573388054 /nfs/dbraw/zinc/38/80/54/573388054.db2.gz NXNROIHGQROQHU-UHFFFAOYSA-N 0 0 173.162 1.752 10 0 ADAERN Cc1cccc2c1N[C@H](N)S2 118232203 573388058 /nfs/dbraw/zinc/38/80/58/573388058.db2.gz MTJFQUFXMXSUKK-QMMMGPOBSA-N 0 0 166.249 1.755 10 0 ADAERN C[C@H](O)c1ccc(OC2COC2)cc1 258011528 573388065 /nfs/dbraw/zinc/38/80/65/573388065.db2.gz HMCZSSPMTVWKAN-QMMMGPOBSA-N 0 0 194.230 1.518 10 0 ADAERN C/C=C/C(=O)NCCCC/C=C/CO 308373472 573388072 /nfs/dbraw/zinc/38/80/72/573388072.db2.gz SADRVUPWBBTOQU-YCXNZHRWSA-N 0 0 197.278 1.398 10 0 ADAERN O=C(NCCC1CCC1)[C@@H]1CCO1 308373007 573388121 /nfs/dbraw/zinc/38/81/21/573388121.db2.gz LXHCCBRDNCSEHG-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN CONC(=O)CCC(C)(C)C(C)=O 308373088 573388137 /nfs/dbraw/zinc/38/81/37/573388137.db2.gz QYGFBYXRLOECOF-UHFFFAOYSA-N 0 0 187.239 1.059 10 0 ADAERN COc1cc(SCCCO)ccn1 133225034 573388141 /nfs/dbraw/zinc/38/81/41/573388141.db2.gz HUMZPQZEBTTYFR-UHFFFAOYSA-N 0 0 199.275 1.565 10 0 ADAERN OCC[C@H]1CCCCC[C@H]1O 86360391 573388145 /nfs/dbraw/zinc/38/81/45/573388145.db2.gz WEIIDZKGCSHYRX-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)[O-] 50344667 573388156 /nfs/dbraw/zinc/38/81/56/573388156.db2.gz IRCDSBPSPXQRFX-BQBZGAKWSA-N 0 0 199.275 1.872 10 0 ADAERN CCC[C@H](C)[C@@H](NN)c1cncnc1 129779922 573388164 /nfs/dbraw/zinc/38/81/64/573388164.db2.gz FIELHMYSRZODEI-WCBMZHEXSA-N 0 0 194.282 1.417 10 0 ADAERN CC(C)[C@@H](C[C@H](C)O)[C@@H](C)O 86362650 573388184 /nfs/dbraw/zinc/38/81/84/573388184.db2.gz ASGOEYDWMLHDHG-DJLDLDEBSA-N 0 0 160.257 1.410 10 0 ADAERN Cc1ccccc1C(C)(CO)CO 86371289 573388217 /nfs/dbraw/zinc/38/82/17/573388217.db2.gz QEUGERITTGYONP-UHFFFAOYSA-N 0 0 180.247 1.237 10 0 ADAERN COC(=O)C1=C(C)C[C@H](O)C1(C)C 238376799 573388225 /nfs/dbraw/zinc/38/82/25/573388225.db2.gz RWQSYHXNQRQXIN-ZETCQYMHSA-N 0 0 184.235 1.267 10 0 ADAERN C=CC1=C(C(=O)OC)CC(C)(C)[C@H]1O 238377618 573388254 /nfs/dbraw/zinc/38/82/54/573388254.db2.gz FROVZCCNMPZYQI-VIFPVBQESA-N 0 0 196.246 1.433 10 0 ADAERN COCc1ccc(CO)c(F)c1F 258011551 573388232 /nfs/dbraw/zinc/38/82/32/573388232.db2.gz HMLUFXYIVLXVPZ-UHFFFAOYSA-N 0 0 188.173 1.604 10 0 ADAERN COc1ccc(C=O)c(C=O)c1O 238377099 573388234 /nfs/dbraw/zinc/38/82/34/573388234.db2.gz WZDQUMGHHOQLTB-UHFFFAOYSA-N 0 0 180.159 1.026 10 0 ADAERN C[C@H]1CCc2c(C=O)ncn2C1 107160356 573388238 /nfs/dbraw/zinc/38/82/38/573388238.db2.gz FAEBACICKFUJNH-ZETCQYMHSA-N 0 0 164.208 1.278 10 0 ADAERN CC(C)(O)CCC[C@H](O)C1CC1 86363257 573388262 /nfs/dbraw/zinc/38/82/62/573388262.db2.gz DEISPPSIUHNEPK-VIFPVBQESA-N 0 0 172.268 1.699 10 0 ADAERN O=Cc1cnc2c(c1)CSC2 107160679 573388265 /nfs/dbraw/zinc/38/82/65/573388265.db2.gz HWPHWSFTJDLBBE-UHFFFAOYSA-N 0 0 165.217 1.641 10 0 ADAERN C[C@@H]1CCCc2cnc(C=O)n21 107160368 573388271 /nfs/dbraw/zinc/38/82/71/573388271.db2.gz RCZYMSXXDYHPFZ-SSDOTTSWSA-N 0 0 164.208 1.593 10 0 ADAERN COc1ccccc1/C=C(/F)CO 238376327 573388274 /nfs/dbraw/zinc/38/82/74/573388274.db2.gz TZVJTNPNNYMMHO-RMKNXTFCSA-N 0 0 182.194 1.998 10 0 ADAERN C=Cc1ccc(OC)c(NC(N)=O)c1 238376735 573388280 /nfs/dbraw/zinc/38/82/80/573388280.db2.gz GASJZRDRENVPBM-UHFFFAOYSA-N 0 0 192.218 1.829 10 0 ADAERN COc1cc(C)cc2c1CNC2=O 238376535 573389237 /nfs/dbraw/zinc/38/92/37/573389237.db2.gz DGJUNFGFNQDNGX-UHFFFAOYSA-N 0 0 177.203 1.247 10 0 ADAERN COC(=O)c1cc([C@@H](C)[NH3+])cnc1F 238376620 573389250 /nfs/dbraw/zinc/38/92/50/573389250.db2.gz YNGNSQNLKNWEFV-RXMQYKEDSA-N 0 0 198.197 1.027 10 0 ADAERN Cc1cc(N)n(-c2cccc(N)c2)n1 197331129 573389255 /nfs/dbraw/zinc/38/92/55/573389255.db2.gz VSHQQFPDBBHFIH-UHFFFAOYSA-N 0 0 188.234 1.345 10 0 ADAERN C/C=C\CCNC(=O)c1cc(C)no1 308380704 573389257 /nfs/dbraw/zinc/38/92/57/573389257.db2.gz SUMGPEIFYXCERO-ARJAWSKDSA-N 0 0 194.234 1.679 10 0 ADAERN CCC(=O)NCCc1oc(C)nc1C 74802053 573389268 /nfs/dbraw/zinc/38/92/68/573389268.db2.gz LPOSNIAYHSGJFA-UHFFFAOYSA-N 0 0 196.250 1.360 10 0 ADAERN COc1nc(Cl)c2cccnc2n1 238377253 573389119 /nfs/dbraw/zinc/38/91/19/573389119.db2.gz HTZJBGBKUYZPIX-UHFFFAOYSA-N 0 0 195.609 1.687 10 0 ADAERN CC[C@H]1CCCCN(N)C1 205852234 573389131 /nfs/dbraw/zinc/38/91/31/573389131.db2.gz BITXOPACBVQLNP-QMMMGPOBSA-N 0 0 142.246 1.372 10 0 ADAERN C[C@H](O)[C@@H](C)CC(F)(F)F 86360275 573389154 /nfs/dbraw/zinc/38/91/54/573389154.db2.gz NTKGZIBBSZCONX-WHFBIAKZSA-N 0 0 156.147 1.956 10 0 ADAERN COCc1cccc(C2(O)CC2)c1 258012174 573389169 /nfs/dbraw/zinc/38/91/69/573389169.db2.gz NCGDPMQNQWXCKW-UHFFFAOYSA-N 0 0 178.231 1.814 10 0 ADAERN CC[C@H](O)C[C@@H]1C[C@H](C)CC[C@@H]1O 86361171 573389195 /nfs/dbraw/zinc/38/91/95/573389195.db2.gz ZIZFNLTTXIXERM-RCWTZXSCSA-N 0 0 186.295 1.945 10 0 ADAERN O[C@@H](CCC(F)F)C1CC1 86363146 573389197 /nfs/dbraw/zinc/38/91/97/573389197.db2.gz PJHGFRPMJVGDLF-LURJTMIESA-N 0 0 150.168 1.803 10 0 ADAERN O=c1oc2ccccc2cc1CO 197330092 573389199 /nfs/dbraw/zinc/38/91/99/573389199.db2.gz LJRLROKTSKSKHS-UHFFFAOYSA-N 0 0 176.171 1.285 10 0 ADAERN CCc1ccncc1CC(C)=O 107160127 573389228 /nfs/dbraw/zinc/38/92/28/573389228.db2.gz HWZBMXCQFOTAFV-UHFFFAOYSA-N 0 0 163.220 1.776 10 0 ADAERN COc1ccc2c(c1)[C@H](C(C)=O)CN2 258012491 573389204 /nfs/dbraw/zinc/38/92/04/573389204.db2.gz JDIXFRZQIZWKOR-JTQLQIEISA-N 0 0 191.230 1.793 10 0 ADAERN C[C@H]1CCCn2c1cnc2C=O 107160389 573389205 /nfs/dbraw/zinc/38/92/05/573389205.db2.gz NZWZNIMSSNCHAP-ZETCQYMHSA-N 0 0 164.208 1.593 10 0 ADAERN O=C1CCN[C@@H]1c1cccs1 107161645 573389275 /nfs/dbraw/zinc/38/92/75/573389275.db2.gz RLWCBNJWJVUYDN-QMMMGPOBSA-N 0 0 167.233 1.352 10 0 ADAERN CCC(CO)(CO)C(C)C 86371007 573389519 /nfs/dbraw/zinc/38/95/19/573389519.db2.gz NCTPQXCGJHWDQF-UHFFFAOYSA-N 0 0 146.230 1.023 10 0 ADAERN CCOC(=O)NCCc1coc(C)n1 74801940 573389523 /nfs/dbraw/zinc/38/95/23/573389523.db2.gz VONWSMVOSHGJNA-UHFFFAOYSA-N 0 0 198.222 1.272 10 0 ADAERN COc1ccc2c(c1)C[C@H](C(C)=O)N2 258012354 573389980 /nfs/dbraw/zinc/38/99/80/573389980.db2.gz JBQVYFJQYYKQHX-LLVKDONJSA-N 0 0 191.230 1.621 10 0 ADAERN CC(CO)(CO)Cc1cccc(F)c1 86370591 573389560 /nfs/dbraw/zinc/38/95/60/573389560.db2.gz UPCVQWHFDMWIFT-UHFFFAOYSA-N 0 0 198.237 1.359 10 0 ADAERN CCOC(=O)NCc1coc(C)n1 74791626 573389561 /nfs/dbraw/zinc/38/95/61/573389561.db2.gz CJGQJWTXYQZTJC-UHFFFAOYSA-N 0 0 184.195 1.229 10 0 ADAERN CC[C@H](O)[C@@H](C)CCCCO 86363414 573389571 /nfs/dbraw/zinc/38/95/71/573389571.db2.gz MFPMKSVUFKNUHM-IUCAKERBSA-N 0 0 160.257 1.556 10 0 ADAERN COc1ccc2ccnn2c1F 238377003 573389586 /nfs/dbraw/zinc/38/95/86/573389586.db2.gz XNOQFBWENUDOSW-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN COCc1ccc2c(c1C=O)OCO2 258012244 573389602 /nfs/dbraw/zinc/38/96/02/573389602.db2.gz NDWURNDKJHTGQM-UHFFFAOYSA-N 0 0 194.186 1.374 10 0 ADAERN C[C@@H]1CCc2c(C=O)ncn2C1 107160354 573389603 /nfs/dbraw/zinc/38/96/03/573389603.db2.gz FAEBACICKFUJNH-SSDOTTSWSA-N 0 0 164.208 1.278 10 0 ADAERN COc1cc(C)cc2c1[C@H]([NH3+])CO2 238376577 573389608 /nfs/dbraw/zinc/38/96/08/573389608.db2.gz NPXVFOHOSJPDAM-SSDOTTSWSA-N 0 0 179.219 1.396 10 0 ADAERN COc1nc2c([C@@H](C)O)cccc2o1 258011558 573389609 /nfs/dbraw/zinc/38/96/09/573389609.db2.gz HMRLMOFAZUWKMZ-ZCFIWIBFSA-N 0 0 193.202 1.890 10 0 ADAERN COc1cc(N)cc2c1CCC2=O 238377284 573389621 /nfs/dbraw/zinc/38/96/21/573389621.db2.gz LYUSIVBLDQMUIH-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN COc1cnnc2c1[C@H](C)OC(=O)N2 238376328 573389651 /nfs/dbraw/zinc/38/96/51/573389651.db2.gz YNSYPQSJTQRQHV-BYPYZUCNSA-N 0 0 195.178 1.108 10 0 ADAERN COc1cc(C)cc2c(N)n[nH]c12 238377440 573389735 /nfs/dbraw/zinc/38/97/35/573389735.db2.gz UUUMPMMYUKEFAQ-UHFFFAOYSA-N 0 0 177.207 1.462 10 0 ADAERN CC[C@@H](O)[C@H]1CCC(=O)N1C(C)C 257801029 573389676 /nfs/dbraw/zinc/38/96/76/573389676.db2.gz MRKYUCOCEUOFDI-RKDXNWHRSA-N 0 0 185.267 1.157 10 0 ADAERN COC[C@H](O)CCC(F)F 86362201 573389695 /nfs/dbraw/zinc/38/96/95/573389695.db2.gz BJEKCCNNLQTLEY-RXMQYKEDSA-N 0 0 154.156 1.039 10 0 ADAERN COCc1cc(CCON)ccc1F 258013523 573389697 /nfs/dbraw/zinc/38/96/97/573389697.db2.gz CXZIKIBTWZGHFH-UHFFFAOYSA-N 0 0 199.225 1.405 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258643432 573391333 /nfs/dbraw/zinc/39/13/33/573391333.db2.gz GHKYMASLUOYFQC-UHFFFAOYSA-N 0 0 147.243 1.767 10 0 ADAERN COC(=O)C[C@]1(C)CCC(=O)C1 238379140 573391344 /nfs/dbraw/zinc/39/13/44/573391344.db2.gz PJIDDSWDFJJNIA-SECBINFHSA-N 0 0 170.208 1.309 10 0 ADAERN CC(=O)[C@H]1[C@H]2CCCO[C@@H]12 211724806 573391354 /nfs/dbraw/zinc/39/13/54/573391354.db2.gz VFAFCCJITCXVKP-GJMOJQLCSA-N 0 0 140.182 1.000 10 0 ADAERN COc1ccc2nc(C(=N)N)oc2c1 238379551 573391357 /nfs/dbraw/zinc/39/13/57/573391357.db2.gz UERMBROIDDESAP-UHFFFAOYSA-N 0 0 191.190 1.120 10 0 ADAERN C[C@H]([NH2+][C@H](C)c1ccsc1)C(=O)[O-] 50344671 573391359 /nfs/dbraw/zinc/39/13/59/573391359.db2.gz IRCDSBPSPXQRFX-RQJHMYQMSA-N 0 0 199.275 1.872 10 0 ADAERN O=C(NCCc1cncs1)C1CC1 74800812 573391360 /nfs/dbraw/zinc/39/13/60/573391360.db2.gz VKHUGVWXJKOCLQ-UHFFFAOYSA-N 0 0 196.275 1.212 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2ccccc2[C@@H]1O 86360729 573391370 /nfs/dbraw/zinc/39/13/70/573391370.db2.gz JZJGUPFWEZHJRH-MKPLZMMCSA-N 0 0 192.258 1.663 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10 0 ADAERN O=C(OCC(F)(F)F)c1ccc[nH]1 308379556 573391463 /nfs/dbraw/zinc/39/14/63/573391463.db2.gz PSRJJRSQPYGMKW-UHFFFAOYSA-N 0 0 193.124 1.734 10 0 ADAERN OCCC[C@H]1CCCCC[C@@H]1O 86360457 573391471 /nfs/dbraw/zinc/39/14/71/573391471.db2.gz NYXVWKXQILZYGK-ZJUUUORDSA-N 0 0 172.268 1.700 10 0 ADAERN CC[C@@H](O)[C@H](C)C1CCOCC1 86363372 573391477 /nfs/dbraw/zinc/39/14/77/573391477.db2.gz RYIIJLHDPUYCOK-PSASIEDQSA-N 0 0 172.268 1.820 10 0 ADAERN CC1(C)c2ccc(O)cc2CC[C@H]1O 259434876 573391481 /nfs/dbraw/zinc/39/14/81/573391481.db2.gz UIXGMDYXFADJAQ-LLVKDONJSA-N 0 0 192.258 1.977 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@H](CCO)C1 86361477 573391482 /nfs/dbraw/zinc/39/14/82/573391482.db2.gz PIUDZCJIQSQIPF-OPRDCNLKSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@@H](CO)[C@@]1(O)CCCCC1(C)C 238379525 573391493 /nfs/dbraw/zinc/39/14/93/573391493.db2.gz XMIFERWUCJZYED-ONGXEEELSA-N 0 0 186.295 1.946 10 0 ADAERN COC[C@H](OC(=O)C(C)C)C1CC1 308379603 573391495 /nfs/dbraw/zinc/39/14/95/573391495.db2.gz UGAIVIGHVWYQEV-VIFPVBQESA-N 0 0 186.251 1.611 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](O)[C@H](CCO)C1 86362364 573391504 /nfs/dbraw/zinc/39/15/04/573391504.db2.gz IATSRQHZOIXZIY-GMTAPVOTSA-N 0 0 186.295 1.802 10 0 ADAERN CC[C@H](C)c1nc([C@H](N)COC)no1 129786339 573391511 /nfs/dbraw/zinc/39/15/11/573391511.db2.gz ZCAOEITXEGLHSS-NKWVEPMBSA-N 0 0 199.254 1.229 10 0 ADAERN CO[C@@]1(C)CCC(=O)[C@@H](C)O1 238378571 573391514 /nfs/dbraw/zinc/39/15/14/573391514.db2.gz JPMNUADNRXNDOU-HTRCEHHLSA-N 0 0 158.197 1.117 10 0 ADAERN CC(=O)N(Cc1nccs1)C1CC1 74795751 573391519 /nfs/dbraw/zinc/39/15/19/573391519.db2.gz FKCMIUNBQAJVNP-UHFFFAOYSA-N 0 0 196.275 1.654 10 0 ADAERN C[C@H](O)[C@H](C)CCC(C)(C)O 86360271 573391545 /nfs/dbraw/zinc/39/15/45/573391545.db2.gz WCGVPGWALKYSHB-SFYZADRCSA-N 0 0 160.257 1.554 10 0 ADAERN C[C@@H](Cc1ncccn1)[C@@H](C)O 86360246 573391547 /nfs/dbraw/zinc/39/15/47/573391547.db2.gz BMZGIMQUBQMXFN-JGVFFNPUSA-N 0 0 166.224 1.036 10 0 ADAERN COC(=O)NCc1oc(C)nc1C 74792182 573391571 /nfs/dbraw/zinc/39/15/71/573391571.db2.gz NHJRNQQWUBYBGI-UHFFFAOYSA-N 0 0 184.195 1.147 10 0 ADAERN Cc1nc(CNC(=O)C(C)(C)C)co1 74791452 573392141 /nfs/dbraw/zinc/39/21/41/573392141.db2.gz BKQYPTXDXUWOJJ-UHFFFAOYSA-N 0 0 196.250 1.645 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@@H](C)CC1CC1 126162674 573391574 /nfs/dbraw/zinc/39/15/74/573391574.db2.gz YAJCCGKMPDZTAC-WCBMZHEXSA-N 0 0 196.294 1.343 10 0 ADAERN O[C@@H](C[C@H]1CCOC1)C1CC1 86363251 573391584 /nfs/dbraw/zinc/39/15/84/573391584.db2.gz JNXKGVKPPFCESG-APPZFPTMSA-N 0 0 156.225 1.184 10 0 ADAERN CC1(C[C@@H](NN)[C@H]2CCCO2)CCC1 308570772 573391600 /nfs/dbraw/zinc/39/16/00/573391600.db2.gz KCOMLWSAIDXXQK-NXEZZACHSA-N 0 0 198.310 1.578 10 0 ADAERN CCC[C@H](C)[C@@H](NN)[C@@H]1CCOC1 133271988 573391639 /nfs/dbraw/zinc/39/16/39/573391639.db2.gz BOEVCNFCAFQSPB-IVZWLZJFSA-N 0 0 186.299 1.291 10 0 ADAERN C[C@H](O)[C@H](C)Cc1ccncc1 86360296 573391641 /nfs/dbraw/zinc/39/16/41/573391641.db2.gz GCJRHRZQQOGRLO-BDAKNGLRSA-N 0 0 165.236 1.641 10 0 ADAERN Cc1nc(CNC(=O)C2CCC2)co1 74791667 573391658 /nfs/dbraw/zinc/39/16/58/573391658.db2.gz IPRGWSKKGRZMRI-UHFFFAOYSA-N 0 0 194.234 1.399 10 0 ADAERN Cc1nc(CNC(=O)CC(C)C)co1 74791444 573391669 /nfs/dbraw/zinc/39/16/69/573391669.db2.gz AAEUOFCDFNUSQC-UHFFFAOYSA-N 0 0 196.250 1.645 10 0 ADAERN Nc1c(F)ccc2nccnc12 259434978 573391680 /nfs/dbraw/zinc/39/16/80/573391680.db2.gz KNOXESXBKANRHP-UHFFFAOYSA-N 0 0 163.155 1.351 10 0 ADAERN COc1cc(N)ccc1CF 238378468 573391692 /nfs/dbraw/zinc/39/16/92/573391692.db2.gz NMYKMEGFQWXENW-UHFFFAOYSA-N 0 0 155.172 1.747 10 0 ADAERN CC(C)[C@H](C)[C@@H](NN)c1cncnc1 129790361 573391693 /nfs/dbraw/zinc/39/16/93/573391693.db2.gz OAEYBKGRRWDAOH-WCBMZHEXSA-N 0 0 194.282 1.273 10 0 ADAERN OCCC[C@H]1Cc2ccccc2[C@H]1O 86360743 573391704 /nfs/dbraw/zinc/39/17/04/573391704.db2.gz MUDJHGONDUJUQZ-JQWIXIFHSA-N 0 0 192.258 1.665 10 0 ADAERN OCC[C@H]1Cc2ccccc2[C@@H]1O 86360681 573391715 /nfs/dbraw/zinc/39/17/15/573391715.db2.gz BDJQIJDVEVFHHY-GXSJLCMTSA-N 0 0 178.231 1.275 10 0 ADAERN CCOC(=O)[C@@H](C)CC1COC1 258643199 573391742 /nfs/dbraw/zinc/39/17/42/573391742.db2.gz SFFZWEMEUKMVEI-ZETCQYMHSA-N 0 0 172.224 1.222 10 0 ADAERN Cc1nnc(COCC(F)(F)F)o1 308378525 573392150 /nfs/dbraw/zinc/39/21/50/573392150.db2.gz PBRZMCSXPJTTIL-UHFFFAOYSA-N 0 0 196.128 1.457 10 0 ADAERN CC(C)(O)CC[C@H](O)C1CC1 86363063 573391773 /nfs/dbraw/zinc/39/17/73/573391773.db2.gz AOMZDKAHXKMWCC-QMMMGPOBSA-N 0 0 158.241 1.308 10 0 ADAERN OCC[C@H]1CCc2ccccc2[C@@H]1O 86360889 573391777 /nfs/dbraw/zinc/39/17/77/573391777.db2.gz LGTUPXCVUMMQKB-ZYHUDNBSSA-N 0 0 192.258 1.665 10 0 ADAERN CC[C@H](C)n1c(C(=O)OC)cnc1C 259435332 573391788 /nfs/dbraw/zinc/39/17/88/573391788.db2.gz UQBDIWZTBOYWOD-ZETCQYMHSA-N 0 0 196.250 1.949 10 0 ADAERN COC(=O)N[C@@H](C)c1ccncc1 74825788 573391791 /nfs/dbraw/zinc/39/17/91/573391791.db2.gz NHGNXUDZIDXJSC-ZETCQYMHSA-N 0 0 180.207 1.499 10 0 ADAERN CCCC(=O)NCCc1coc(C)n1 74801875 573391818 /nfs/dbraw/zinc/39/18/18/573391818.db2.gz RESPZQXFVAXFAV-UHFFFAOYSA-N 0 0 196.250 1.442 10 0 ADAERN O[C@@H](C[C@@H]1CCOC1)C1CC1 86363248 573391827 /nfs/dbraw/zinc/39/18/27/573391827.db2.gz JNXKGVKPPFCESG-CBAPKCEASA-N 0 0 156.225 1.184 10 0 ADAERN C[C@@H](CO)[C@@H](O)c1ccccc1O 238378356 573391829 /nfs/dbraw/zinc/39/18/29/573391829.db2.gz YYWLTJHRIUJEDE-OIBJUYFYSA-N 0 0 182.219 1.054 10 0 ADAERN Cc1nonc1C[C@@H](C(C)C)[C@H](C)O 86362829 573391831 /nfs/dbraw/zinc/39/18/31/573391831.db2.gz NKPANLWKCHFZJH-IUCAKERBSA-N 0 0 198.266 1.574 10 0 ADAERN COc1cc(N)cc2ncccc12 238378013 573391838 /nfs/dbraw/zinc/39/18/38/573391838.db2.gz YBJFSXLJJSVQAP-UHFFFAOYSA-N 0 0 174.203 1.826 10 0 ADAERN COC[C@H](C)[C@@H](C)[C@@H](C)O 86360319 573391850 /nfs/dbraw/zinc/39/18/50/573391850.db2.gz PWGCRFURVOLICX-XLPZGREQSA-N 0 0 146.230 1.286 10 0 ADAERN COC(=O)N1CCOc2ccccc21 74786313 573391854 /nfs/dbraw/zinc/39/18/54/573391854.db2.gz MZNSLSBHPQZGDU-UHFFFAOYSA-N 0 0 193.202 1.652 10 0 ADAERN OCc1ccc(F)nc1Cl 118249790 573391855 /nfs/dbraw/zinc/39/18/55/573391855.db2.gz OBABNIUNQVFQER-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN CCCC1(C2(CO)CCC2)COC1 258495258 573391863 /nfs/dbraw/zinc/39/18/63/573391863.db2.gz DJCJSLMPUOVDFI-UHFFFAOYSA-N 0 0 184.279 1.966 10 0 ADAERN Nc1nnccc1-c1cccnc1 258643239 573391874 /nfs/dbraw/zinc/39/18/74/573391874.db2.gz SFUJPCXOSJYTLV-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)C1CCC1 118203237 573391891 /nfs/dbraw/zinc/39/18/91/573391891.db2.gz LPJNOXKBFBDVCI-VDAHYXPESA-N 0 0 140.226 1.803 10 0 ADAERN COC[C@H](C)[C@H](C)[C@@H](C)O 86360323 573391900 /nfs/dbraw/zinc/39/19/00/573391900.db2.gz PWGCRFURVOLICX-BIIVOSGPSA-N 0 0 146.230 1.286 10 0 ADAERN c1cc(-c2ccoc2)n[nH]1 78243615 573391912 /nfs/dbraw/zinc/39/19/12/573391912.db2.gz WTZQRZGSVMEQEO-UHFFFAOYSA-N 0 0 134.138 1.670 10 0 ADAERN COc1cccc2c1N[C@@H](N)S2 118235612 573391935 /nfs/dbraw/zinc/39/19/35/573391935.db2.gz SMBLUPQTZLGZKE-MRVPVSSYSA-N 0 0 182.248 1.455 10 0 ADAERN C[C@@H](CO)[C@@H]1CCCC(=O)C1 238378658 573391945 /nfs/dbraw/zinc/39/19/45/573391945.db2.gz PRTLMKVUGRHUJX-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H](O)[C@H](C)CC(F)(F)F 86360274 573391993 /nfs/dbraw/zinc/39/19/93/573391993.db2.gz NTKGZIBBSZCONX-RFZPGFLSSA-N 0 0 156.147 1.956 10 0 ADAERN CCCc1nc([C@H](N)COCC)no1 129810237 573392012 /nfs/dbraw/zinc/39/20/12/573392012.db2.gz HUEFEXTUYZGZBL-SSDOTTSWSA-N 0 0 199.254 1.058 10 0 ADAERN CC(C)CON[C@H]1CCO[C@@H]1C 133243484 573392015 /nfs/dbraw/zinc/39/20/15/573392015.db2.gz BTBKADUCVDSAFA-BDAKNGLRSA-N 0 0 173.256 1.341 10 0 ADAERN COC(=O)N(c1ccccn1)C1CC1 74817435 573392019 /nfs/dbraw/zinc/39/20/19/573392019.db2.gz VJZCVXFEHLNLSA-UHFFFAOYSA-N 0 0 192.218 1.817 10 0 ADAERN O=C1NC[C@@]2(c3ccccc3)C[C@@H]12 197337181 573392032 /nfs/dbraw/zinc/39/20/32/573392032.db2.gz MCWVIAZUVSGXJF-GXSJLCMTSA-N 0 0 173.215 1.074 10 0 ADAERN O=C1CC[C@@H](O)c2c(O)cccc2N1 257803607 573392053 /nfs/dbraw/zinc/39/20/53/573392053.db2.gz QWZXLLLTFXSHMM-MRVPVSSYSA-N 0 0 193.202 1.158 10 0 ADAERN C[C@H](/C=C/c1ccccc1)NC=O 238379230 573392061 /nfs/dbraw/zinc/39/20/61/573392061.db2.gz CBVYSORMEVFHHX-QROSGCPLSA-N 0 0 175.231 1.834 10 0 ADAERN C[C@@H](O)/C=C/C=C/C1CC1 238379455 573392067 /nfs/dbraw/zinc/39/20/67/573392067.db2.gz IETWKFCAMZJWIS-YFIBRCQFSA-N 0 0 138.210 1.890 10 0 ADAERN O=c1ccon1CC1CCCC1 306151523 573392068 /nfs/dbraw/zinc/39/20/68/573392068.db2.gz GVBGPFNYMOHODO-UHFFFAOYSA-N 0 0 167.208 1.632 10 0 ADAERN C[C@@H](CO)[C@@]1(O)CCCC1(C)C 238379505 573392071 /nfs/dbraw/zinc/39/20/71/573392071.db2.gz GJJNJTXNKKTCHK-WPRPVWTQSA-N 0 0 172.268 1.556 10 0 ADAERN CC(=O)NCc1csc(C(C)C)n1 74835947 573392079 /nfs/dbraw/zinc/39/20/79/573392079.db2.gz XHJLQZIVQWYAKM-UHFFFAOYSA-N 0 0 198.291 1.903 10 0 ADAERN CC(C)CC(=O)NCCc1cocn1 74814360 573392154 /nfs/dbraw/zinc/39/21/54/573392154.db2.gz UVKVCSGXABBNSZ-UHFFFAOYSA-N 0 0 196.250 1.379 10 0 ADAERN CC(C)CON[C@@H]1CCO[C@@H]1C 133243048 573393529 /nfs/dbraw/zinc/39/35/29/573393529.db2.gz BTBKADUCVDSAFA-RKDXNWHRSA-N 0 0 173.256 1.341 10 0 ADAERN Cc1ccc(C(C)C)cc1[C@H](N)NN 259437092 573392956 /nfs/dbraw/zinc/39/29/56/573392956.db2.gz NLGLDTGRRYKBRT-LLVKDONJSA-N 0 0 193.294 1.539 10 0 ADAERN COC1=NC[C@@H](C)Nc2ccccc21 238379085 573392976 /nfs/dbraw/zinc/39/29/76/573392976.db2.gz KYDJKBOSOVQJMT-MRVPVSSYSA-N 0 0 190.246 1.894 10 0 ADAERN CC(C)C(=O)NCCc1cncs1 74800811 573392981 /nfs/dbraw/zinc/39/29/81/573392981.db2.gz FVPDREJLHYSBGR-UHFFFAOYSA-N 0 0 198.291 1.458 10 0 ADAERN COc1cccn2cncc12 238379750 573392985 /nfs/dbraw/zinc/39/29/85/573392985.db2.gz ANJGGJJCMSAENB-UHFFFAOYSA-N 0 0 148.165 1.343 10 0 ADAERN O=C1CCN[C@@H]1c1cccc(F)c1 107167036 573393002 /nfs/dbraw/zinc/39/30/02/573393002.db2.gz YHSMGHKUZHQAKH-SNVBAGLBSA-N 0 0 179.194 1.429 10 0 ADAERN CSCc1ccccc(=O)c1 238378478 573393012 /nfs/dbraw/zinc/39/30/12/573393012.db2.gz DSIGJERCHSTOIJ-UHFFFAOYSA-N 0 0 166.245 1.910 10 0 ADAERN COc1ccc2c(ccn2C#N)c1 238378104 573393035 /nfs/dbraw/zinc/39/30/35/573393035.db2.gz YRHIYETYQXXEIY-UHFFFAOYSA-N 0 0 172.187 1.979 10 0 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157.135 1.480 10 0 ADAERN CCO[C@H]1[C@@H](OCC(C)C)C[C@H]1O 133443636 573402369 /nfs/dbraw/zinc/40/23/69/573402369.db2.gz NTZFRAODQNFOQX-KXUCPTDWSA-N 0 0 188.267 1.197 10 0 ADAERN NC(=O)CC[C@H]1Cc2ccccc2N1 258341477 573402379 /nfs/dbraw/zinc/40/23/79/573402379.db2.gz YXKFROIXGXPBMC-VIFPVBQESA-N 0 0 190.246 1.289 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H](/C=C\C(=O)[O-])C1 258342790 573402605 /nfs/dbraw/zinc/40/26/05/573402605.db2.gz XXDYHKWMXVTYRV-WWQCOOJYSA-N 0 0 197.278 1.748 10 0 ADAERN CO[C@@H](O)c1ccc(C)o1 238388092 573402423 /nfs/dbraw/zinc/40/24/23/573402423.db2.gz AVRUWLRNYIESCP-SSDOTTSWSA-N 0 0 142.154 1.225 10 0 ADAERN C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)C1 74864890 573402404 /nfs/dbraw/zinc/40/24/04/573402404.db2.gz WKQRLVAUQOARAF-VIFPVBQESA-N 0 0 198.310 1.243 10 0 ADAERN COc1ccc(OC)c([C@H](C)O)c1N 238387593 573402405 /nfs/dbraw/zinc/40/24/05/573402405.db2.gz VOWWSNHMKMKJAI-LURJTMIESA-N 0 0 197.234 1.339 10 0 ADAERN CCn1nccc1/C=C(\CO)C(C)C 308380686 573402454 /nfs/dbraw/zinc/40/24/54/573402454.db2.gz MQHUWGPHWXKYBH-JXMROGBWSA-N 0 0 194.278 1.935 10 0 ADAERN COc1cc(C=O)cnc1C(F)F 238388286 573402455 /nfs/dbraw/zinc/40/24/55/573402455.db2.gz HAFMEQXNNGZYLO-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CCC(CC)C(=O)N[C@@H]1CC[N@H+](C)C1 74864801 573402463 /nfs/dbraw/zinc/40/24/63/573402463.db2.gz VEMUUFLKUAFLMF-SNVBAGLBSA-N 0 0 198.310 1.243 10 0 ADAERN CC(C)N1C[C@@H](C2CCCC2)NC1=O 259439304 573402465 /nfs/dbraw/zinc/40/24/65/573402465.db2.gz MFZJQFDSLGDKDD-JTQLQIEISA-N 0 0 196.294 1.979 10 0 ADAERN CN(c1ccccc1N)C1CSC1 107184098 573402611 /nfs/dbraw/zinc/40/26/11/573402611.db2.gz CJCZHFIOEOQOQX-UHFFFAOYSA-N 0 0 194.303 1.820 10 0 ADAERN CC(C)(C)n1ccc(N)cc1=O 258644160 573402486 /nfs/dbraw/zinc/40/24/86/573402486.db2.gz YYLZXLLRORBYTP-UHFFFAOYSA-N 0 0 166.224 1.186 10 0 ADAERN CC[C@@H](C)CNOC 83099461 573402497 /nfs/dbraw/zinc/40/24/97/573402497.db2.gz GURDRPKAORPQEQ-ZCFIWIBFSA-N 0 0 117.192 1.184 10 0 ADAERN CC[C@@H](C)[C@@H](O)C(C)(C)OC 86390439 573402534 /nfs/dbraw/zinc/40/25/34/573402534.db2.gz MTMPHTKBDKUKJP-HTQZYQBOSA-N 0 0 160.257 1.818 10 0 ADAERN CCON[C@@H]1CCCCC[C@H]1O 83116328 573402561 /nfs/dbraw/zinc/40/25/61/573402561.db2.gz FRGAMJFDVCICIS-RKDXNWHRSA-N 0 0 173.256 1.221 10 0 ADAERN CC[C@H](C(=O)CC1CCC1)C(=O)OC 308572838 573402565 /nfs/dbraw/zinc/40/25/65/573402565.db2.gz FVBWMRGEQNLMAO-SECBINFHSA-N 0 0 198.262 1.945 10 0 ADAERN Cc1cc([C@@H]2NCCC2=O)ccc1F 107180681 573402572 /nfs/dbraw/zinc/40/25/72/573402572.db2.gz DIUWXEWEIDIUTE-NSHDSACASA-N 0 0 193.221 1.738 10 0 ADAERN CCONCc1cccs1 83116224 573403154 /nfs/dbraw/zinc/40/31/54/573403154.db2.gz OMLANVAYAIDBCG-UHFFFAOYSA-N 0 0 157.238 1.789 10 0 ADAERN Cc1cn([C@@H](C)CC(N)=S)c(C)n1 715146319 573403995 /nfs/dbraw/zinc/40/39/95/573403995.db2.gz PDDZWIOGYHVNEE-ZETCQYMHSA-N 0 0 197.307 1.737 10 0 ADAERN C[C@@H]1C(=O)C(C)(C)CC2=C1OCO2 238388470 573403239 /nfs/dbraw/zinc/40/32/39/573403239.db2.gz LIYAHYXQYKUADU-LURJTMIESA-N 0 0 182.219 1.837 10 0 ADAERN COc1c(Cl)c(C)c(C)[nH]c1=O 238387580 573403056 /nfs/dbraw/zinc/40/30/56/573403056.db2.gz JZDJVFZMYQANIS-UHFFFAOYSA-N 0 0 187.626 1.654 10 0 ADAERN CO[C@@H](O)C12CC(C(F)(F)F)(C1)C2 238387089 573403081 /nfs/dbraw/zinc/40/30/81/573403081.db2.gz NCPCQMQYXZWPAQ-GRQBKTHUSA-N 0 0 196.168 1.684 10 0 ADAERN C[C@H]1CCCn2nc(CCCO)nc21 258343110 573403103 /nfs/dbraw/zinc/40/31/03/573403103.db2.gz LAQXXELJDSHMFA-QMMMGPOBSA-N 0 0 195.266 1.100 10 0 ADAERN CC(C)(C)[C@@H](F)C(N)=[NH2+] 259439875 573403107 /nfs/dbraw/zinc/40/31/07/573403107.db2.gz UPCKGUOCOIROGW-BYPYZUCNSA-N 0 0 132.182 1.307 10 0 ADAERN O=c1[nH]c2c(F)cccc2n1C1CC1 107178330 573403113 /nfs/dbraw/zinc/40/31/13/573403113.db2.gz PIANXCOSESXAEK-UHFFFAOYSA-N 0 0 192.193 1.804 10 0 ADAERN Cc1nc(C=O)nc(C)c1C 258643791 573403119 /nfs/dbraw/zinc/40/31/19/573403119.db2.gz YXEBTUBSDIKXCT-UHFFFAOYSA-N 0 0 150.181 1.214 10 0 ADAERN NC(=S)c1cccn1CC1CC1 124275652 573403165 /nfs/dbraw/zinc/40/31/65/573403165.db2.gz NRJUIRSMMINSPX-UHFFFAOYSA-N 0 0 180.276 1.532 10 0 ADAERN Cn1nc(N)c2c1CCC[C@@]2(C)F 257810963 573403175 /nfs/dbraw/zinc/40/31/75/573403175.db2.gz ATVSCEBQNZSDCX-SECBINFHSA-N 0 0 183.230 1.523 10 0 ADAERN Cc1cccc(N)c1OCC[C@H](C)O 133439494 573403196 /nfs/dbraw/zinc/40/31/96/573403196.db2.gz NRDKZSWHYHFWEK-VIFPVBQESA-N 0 0 195.262 1.727 10 0 ADAERN COc1cc(C(=O)CN)cc(F)c1C 107187415 573403197 /nfs/dbraw/zinc/40/31/97/573403197.db2.gz XAOVIEABQYYURU-UHFFFAOYSA-N 0 0 197.209 1.284 10 0 ADAERN C[C@H]([NH3+])c1cc(C(=O)[O-])c(N)cc1F 211731921 573403200 /nfs/dbraw/zinc/40/32/00/573403200.db2.gz DLKSEPBPDBZKIC-BYPYZUCNSA-N 0 0 198.197 1.126 10 0 ADAERN Cc1cc(N)ccc1OCC[C@H](C)O 133439891 573403205 /nfs/dbraw/zinc/40/32/05/573403205.db2.gz UGPJZXSCKXNJTC-VIFPVBQESA-N 0 0 195.262 1.727 10 0 ADAERN C[C@@H]1CCCn2nc(CCCO)nc21 258343108 573403206 /nfs/dbraw/zinc/40/32/06/573403206.db2.gz LAQXXELJDSHMFA-MRVPVSSYSA-N 0 0 195.266 1.100 10 0 ADAERN CC[C@H](O)C(=O)O[C@@H]1C=CCCC1 308382638 573403208 /nfs/dbraw/zinc/40/32/08/573403208.db2.gz VEORYHQSVQEJLX-BDAKNGLRSA-N 0 0 184.235 1.409 10 0 ADAERN COc1cccc([C@@H](C)[NH3+])c1C(=O)[O-] 238387161 573403232 /nfs/dbraw/zinc/40/32/32/573403232.db2.gz PYTFCNHAETVAEC-ZCFIWIBFSA-N 0 0 195.218 1.413 10 0 ADAERN COc1c(C=O)[nH]c(C=O)c1Cl 238387758 573403247 /nfs/dbraw/zinc/40/32/47/573403247.db2.gz DZQRFKVAHQJMCB-UHFFFAOYSA-N 0 0 187.582 1.302 10 0 ADAERN CCc1cccnc1C[C@@H](C)O 259440064 573403253 /nfs/dbraw/zinc/40/32/53/573403253.db2.gz USPFFRHZONVPSV-MRVPVSSYSA-N 0 0 165.236 1.567 10 0 ADAERN CON[C@@H]1CCC[C@@H](OC)C1 83099451 573403264 /nfs/dbraw/zinc/40/32/64/573403264.db2.gz HSALYALUFSMTKR-HTQZYQBOSA-N 0 0 159.229 1.095 10 0 ADAERN CCC[C@@H](C)CNOCC 83116307 573403271 /nfs/dbraw/zinc/40/32/71/573403271.db2.gz ANZKXNDWDUPXHP-MRVPVSSYSA-N 0 0 145.246 1.964 10 0 ADAERN C[C@H]1CNCc2ccccc2[S@@]1=O 107185841 573403274 /nfs/dbraw/zinc/40/32/74/573403274.db2.gz HSSZYBFMNMBYFE-SDBXPKJASA-N 0 0 195.287 1.286 10 0 ADAERN CC[C@@H](O)C(=O)O[C@H]1C=CCCC1 308382639 573403300 /nfs/dbraw/zinc/40/33/00/573403300.db2.gz VEORYHQSVQEJLX-DTWKUNHWSA-N 0 0 184.235 1.409 10 0 ADAERN CCCc1ncc2n1[C@H](O)CCC2 258339865 573403303 /nfs/dbraw/zinc/40/33/03/573403303.db2.gz QTTMBVHMTZJKLH-SNVBAGLBSA-N 0 0 180.251 1.663 10 0 ADAERN C[N@@H+]1Cc2[n-]n(C3CCC3)c(=O)c2C1 257810393 573403347 /nfs/dbraw/zinc/40/33/47/573403347.db2.gz AJPJPCYHOLZOFB-UHFFFAOYSA-N 0 0 193.250 1.259 10 0 ADAERN CCCCO[C@@H]1C[C@H](O)[C@@H]1OCC 133458566 573403348 /nfs/dbraw/zinc/40/33/48/573403348.db2.gz BSKOBGWZDNJXDT-AEJSXWLSSA-N 0 0 188.267 1.341 10 0 ADAERN O=C([O-])C[C@H]1CC[NH2+][C@H]1c1ccco1 107184477 573403363 /nfs/dbraw/zinc/40/33/63/573403363.db2.gz BVYQHKQNDFBJMI-GMSGAONNSA-N 0 0 195.218 1.405 10 0 ADAERN CC(=O)Cn1nccc1C(F)(F)F 107178108 573403641 /nfs/dbraw/zinc/40/36/41/573403641.db2.gz YGFJULKDANDWJG-UHFFFAOYSA-N 0 0 192.140 1.491 10 0 ADAERN Cc1cc([C@@]2(O)C[C@@H]2C)ccn1 235590161 573403660 /nfs/dbraw/zinc/40/36/60/573403660.db2.gz ORFAVQMPAHOXSS-OIBJUYFYSA-N 0 0 163.220 1.617 10 0 ADAERN CS[C@H]1C=C[C@@H](O)CC1 238387860 573403671 /nfs/dbraw/zinc/40/36/71/573403671.db2.gz RDJZVXTZQOIHNI-RQJHMYQMSA-N 0 0 144.239 1.429 10 0 ADAERN COCCCNOCc1ccccc1 83116135 573403684 /nfs/dbraw/zinc/40/36/84/573403684.db2.gz KGWFCLOUIQSBOY-UHFFFAOYSA-N 0 0 195.262 1.744 10 0 ADAERN Cn1nc(CO)c2c1CC[C@]2(C)F 257810948 573403704 /nfs/dbraw/zinc/40/37/04/573403704.db2.gz ATBKKYFQQAJBHX-VIFPVBQESA-N 0 0 184.214 1.043 10 0 ADAERN CC(C)(C)CC1(CO)COC1 259440100 573403708 /nfs/dbraw/zinc/40/37/08/573403708.db2.gz PXDYCBIKTFPFPB-UHFFFAOYSA-N 0 0 158.241 1.432 10 0 ADAERN CS[C@@H]1C[C@](C)(O)CCC1=O 238388495 573403710 /nfs/dbraw/zinc/40/37/10/573403710.db2.gz JESDBXSZMPAPII-HTQZYQBOSA-N 0 0 174.265 1.222 10 0 ADAERN c1ccc(CON[C@H]2CCOC2)cc1 83099615 573403714 /nfs/dbraw/zinc/40/37/14/573403714.db2.gz XFRCCKKINUMONO-NSHDSACASA-N 0 0 193.246 1.497 10 0 ADAERN CCCc1cccc2nc(N)nn12 118442037 573403716 /nfs/dbraw/zinc/40/37/16/573403716.db2.gz YETCFBTWOVMFLC-UHFFFAOYSA-N 0 0 176.223 1.264 10 0 ADAERN C/C=C\CCNC(=O)C[C@H]1CCCO1 308380044 573403718 /nfs/dbraw/zinc/40/37/18/573403718.db2.gz SQOZYRSZMIUAFT-MXQLGCADSA-N 0 0 197.278 1.638 10 0 ADAERN CS[C@@H]1CC(=O)C1(C)C 238387117 573404013 /nfs/dbraw/zinc/40/40/13/573404013.db2.gz YBWGCDWLJJDAOD-ZCFIWIBFSA-N 0 0 144.239 1.717 10 0 ADAERN CC[C@H](C)CNOC 83099462 573403728 /nfs/dbraw/zinc/40/37/28/573403728.db2.gz GURDRPKAORPQEQ-LURJTMIESA-N 0 0 117.192 1.184 10 0 ADAERN Cn1nc(C[C@@H]2CCCCO2)cc1N 259438779 573403744 /nfs/dbraw/zinc/40/37/44/573403744.db2.gz ZSALYOKAIIPROR-VIFPVBQESA-N 0 0 195.266 1.114 10 0 ADAERN COC1=CC[C@@H]2CC(=O)[C@@H]2C1 238388258 573403765 /nfs/dbraw/zinc/40/37/65/573403765.db2.gz RVAJGJSTTOOGPH-HTRCEHHLSA-N 0 0 152.193 1.516 10 0 ADAERN CC[C@@H](O)C(=O)O[C@@H]1C=CCCC1 308382641 573403811 /nfs/dbraw/zinc/40/38/11/573403811.db2.gz VEORYHQSVQEJLX-RKDXNWHRSA-N 0 0 184.235 1.409 10 0 ADAERN C/C=C\CCNC(=O)C[C@@H]1CCCO1 308380045 573403829 /nfs/dbraw/zinc/40/38/29/573403829.db2.gz SQOZYRSZMIUAFT-ZMWSMAPVSA-N 0 0 197.278 1.638 10 0 ADAERN Cc1c(C(=O)OCCF)ccn1C 308382967 573403891 /nfs/dbraw/zinc/40/38/91/573403891.db2.gz RNDKJEKNNJCXOI-UHFFFAOYSA-N 0 0 185.198 1.460 10 0 ADAERN CC1(C)COc2cccc(CO)c2N1 259439290 573403892 /nfs/dbraw/zinc/40/38/92/573403892.db2.gz ZVZDCYHXLARVGL-UHFFFAOYSA-N 0 0 193.246 1.762 10 0 ADAERN CCOCCCNOC(C)(C)C 133438806 573403908 /nfs/dbraw/zinc/40/39/08/573403908.db2.gz PMTVROKEIHLIDL-UHFFFAOYSA-N 0 0 175.272 1.733 10 0 ADAERN Cc1ccc([C@@H](C[NH3+])C(=O)[O-])cc1F 107187405 573403926 /nfs/dbraw/zinc/40/39/26/573403926.db2.gz ISRNQCIFXYJJNR-MRVPVSSYSA-N 0 0 197.209 1.261 10 0 ADAERN CN1CCC(=O)[C@H]1c1ccc(F)cc1 107180644 573403933 /nfs/dbraw/zinc/40/39/33/573403933.db2.gz SSAVZGLSUBIZGU-LLVKDONJSA-N 0 0 193.221 1.771 10 0 ADAERN O=C([O-])C[C@@H]1CC[NH2+][C@@H]1c1ccco1 107184470 573403944 /nfs/dbraw/zinc/40/39/44/573403944.db2.gz BVYQHKQNDFBJMI-XVKPBYJWSA-N 0 0 195.218 1.405 10 0 ADAERN CN1C(=O)NC[C@H]1c1cccc(O)c1 257810392 573403948 /nfs/dbraw/zinc/40/39/48/573403948.db2.gz AJKPSFJRUJUDBI-VIFPVBQESA-N 0 0 192.218 1.088 10 0 ADAERN O=C1CCN[C@@H]1c1ccccc1Cl 107186174 573403953 /nfs/dbraw/zinc/40/39/53/573403953.db2.gz PRXMIVUUEOALKS-SNVBAGLBSA-N 0 0 195.649 1.944 10 0 ADAERN COC1=CC[C@H]2CC(=O)[C@H]2C1 238388435 573403960 /nfs/dbraw/zinc/40/39/60/573403960.db2.gz RVAJGJSTTOOGPH-XPUUQOCRSA-N 0 0 152.193 1.516 10 0 ADAERN Nc1cc(C[C@H]2CCCS2)on1 259440860 573403961 /nfs/dbraw/zinc/40/39/61/573403961.db2.gz ZYRNYDXECRIFPA-SSDOTTSWSA-N 0 0 184.264 1.695 10 0 ADAERN COc1ccc(OC)c([C@@H](C)O)c1N 238387271 573403964 /nfs/dbraw/zinc/40/39/64/573403964.db2.gz VOWWSNHMKMKJAI-ZCFIWIBFSA-N 0 0 197.234 1.339 10 0 ADAERN Cn1nc(CO)c2c1CC[C@@]2(C)F 257810947 573405994 /nfs/dbraw/zinc/40/59/94/573405994.db2.gz ATBKKYFQQAJBHX-SECBINFHSA-N 0 0 184.214 1.043 10 0 ADAERN CN1CCC(=O)[C@@H]1c1ccc(F)cc1 107180639 573404838 /nfs/dbraw/zinc/40/48/38/573404838.db2.gz SSAVZGLSUBIZGU-NSHDSACASA-N 0 0 193.221 1.771 10 0 ADAERN CN1C(=O)NC[C@@H]1c1cccc(O)c1 257810390 573404847 /nfs/dbraw/zinc/40/48/47/573404847.db2.gz AJKPSFJRUJUDBI-SECBINFHSA-N 0 0 192.218 1.088 10 0 ADAERN FC(F)CNOCc1ccccc1 83116166 573404546 /nfs/dbraw/zinc/40/45/46/573404546.db2.gz CUSBCFHBLZISLU-UHFFFAOYSA-N 0 0 187.189 1.973 10 0 ADAERN COC[C@@H](C)NOCc1ccccc1 83099619 573404568 /nfs/dbraw/zinc/40/45/68/573404568.db2.gz YJTKKBAWIHHIHZ-SNVBAGLBSA-N 0 0 195.262 1.743 10 0 ADAERN Cc1cc([C@H]2NCCC2=O)ccc1F 107180679 573404575 /nfs/dbraw/zinc/40/45/75/573404575.db2.gz DIUWXEWEIDIUTE-LLVKDONJSA-N 0 0 193.221 1.738 10 0 ADAERN C[C@@H](CNC(=O)n1ccnc1)C1CC1 133556352 573404577 /nfs/dbraw/zinc/40/45/77/573404577.db2.gz FMHBNWNTAKGVNF-QMMMGPOBSA-N 0 0 193.250 1.487 10 0 ADAERN CC(C)(O)Cc1cccc2c1CCN2 257810564 573404593 /nfs/dbraw/zinc/40/45/93/573404593.db2.gz AMOHAFYOOBZMGO-UHFFFAOYSA-N 0 0 191.274 1.968 10 0 ADAERN C[C@H](OC(=O)c1cocn1)C1CC1 308382933 573404855 /nfs/dbraw/zinc/40/48/55/573404855.db2.gz RMVUPNURPVUWKB-LURJTMIESA-N 0 0 181.191 1.630 10 0 ADAERN COC(=O)CCc1sc(C)nc1C 259095794 573404607 /nfs/dbraw/zinc/40/46/07/573404607.db2.gz AGVZWXGFFQQTFP-UHFFFAOYSA-N 0 0 199.275 1.866 10 0 ADAERN COC(=O)/C=C/[C@@H]1CCCC[C@H]1CO 308576780 573404637 /nfs/dbraw/zinc/40/46/37/573404637.db2.gz HVHZULZPKICTEB-CAFLDADYSA-N 0 0 198.262 1.514 10 0 ADAERN COC[C@H](CO)c1ccccc1O 258342305 573404659 /nfs/dbraw/zinc/40/46/59/573404659.db2.gz ZIASIENOKCPZTD-QMMMGPOBSA-N 0 0 182.219 1.115 10 0 ADAERN CCONC1CCCC1 83116295 573404665 /nfs/dbraw/zinc/40/46/65/573404665.db2.gz XWBQQARJRJZIKB-UHFFFAOYSA-N 0 0 129.203 1.470 10 0 ADAERN CCOC(=O)/C(C)=C/C=C\C[C@H](C)O 308576007 573404708 /nfs/dbraw/zinc/40/47/08/573404708.db2.gz HHMUQFGOBQMGAN-GMYUVZAFSA-N 0 0 198.262 1.823 10 0 ADAERN CCO[C@](C)(CC)C(=O)CCOC 686243245 573404716 /nfs/dbraw/zinc/40/47/16/573404716.db2.gz DBAPAPQTHVXCGP-SNVBAGLBSA-N 0 0 188.267 1.797 10 0 ADAERN CC(C)(O)CNOCc1ccccc1 83099601 573404722 /nfs/dbraw/zinc/40/47/22/573404722.db2.gz JKBFQOKMEMBOKN-UHFFFAOYSA-N 0 0 195.262 1.479 10 0 ADAERN COC(=O)C=C(C)NCc1ccco1 107180793 573404813 /nfs/dbraw/zinc/40/48/13/573404813.db2.gz YCRBBFBOJCVEKK-VURMDHGXSA-N 0 0 195.218 1.446 10 0 ADAERN CCOCCNOCc1ccccc1 83099632 573404763 /nfs/dbraw/zinc/40/47/63/573404763.db2.gz GBRAOKCQQMWXTN-UHFFFAOYSA-N 0 0 195.262 1.744 10 0 ADAERN Cc1ccoc1CNCc1cnco1 308576664 573404778 /nfs/dbraw/zinc/40/47/78/573404778.db2.gz MZWSHPWDALHTLH-UHFFFAOYSA-N 0 0 192.218 1.866 10 0 ADAERN Cc1cc(CN2CCCO2)no1 306630458 573404782 /nfs/dbraw/zinc/40/47/82/573404782.db2.gz MLNXQWLCPRYDKK-UHFFFAOYSA-N 0 0 168.196 1.120 10 0 ADAERN COc1cc2c(cc1N)OCCC2=O 238388908 573404788 /nfs/dbraw/zinc/40/47/88/573404788.db2.gz VTKKQGLZPNMZNO-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1nnc(CN)o1 235587000 573404814 /nfs/dbraw/zinc/40/48/14/573404814.db2.gz XULXDCGQJCBHEU-NKWVEPMBSA-N 0 0 196.254 1.129 10 0 ADAERN CCOc1cc2nc(CC)[nH]n2n1 118492397 573407732 /nfs/dbraw/zinc/40/77/32/573407732.db2.gz MEGMTHPIIJIOEH-UHFFFAOYSA-N 0 0 180.211 1.019 10 0 ADAERN COC(=O)[C@@H](F)[C@@H]1CCSC1 257810475 573405484 /nfs/dbraw/zinc/40/54/84/573405484.db2.gz ALHIQDXPDUPJTJ-RITPCOANSA-N 0 0 178.228 1.251 10 0 ADAERN C[C@@H](CO)[C@H]1CCCC(=O)C1 238380929 573405509 /nfs/dbraw/zinc/40/55/09/573405509.db2.gz PRTLMKVUGRHUJX-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@]1(c2ccc(F)cc2)NCCC1=O 107180654 573405400 /nfs/dbraw/zinc/40/54/00/573405400.db2.gz YGJXXJKLHHUULZ-NSHDSACASA-N 0 0 193.221 1.603 10 0 ADAERN Cc1ccc([C@@H]2COC[C@@H]2O)cc1C 687959916 573405425 /nfs/dbraw/zinc/40/54/25/573405425.db2.gz KJRLIAUKYMYWLW-RYUDHWBXSA-N 0 0 192.258 1.778 10 0 ADAERN C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C1 74864889 573405438 /nfs/dbraw/zinc/40/54/38/573405438.db2.gz WKQRLVAUQOARAF-SECBINFHSA-N 0 0 198.310 1.243 10 0 ADAERN CC(C)N(N)[C@H](CO)c1ccccc1 308574889 573405439 /nfs/dbraw/zinc/40/54/39/573405439.db2.gz GUADIWIYQZIBRJ-LLVKDONJSA-N 0 0 194.278 1.304 10 0 ADAERN Cc1ccc(OCCCCO)nc1 308380133 573405452 /nfs/dbraw/zinc/40/54/52/573405452.db2.gz PVBXYJNRSKOMFI-UHFFFAOYSA-N 0 0 181.235 1.541 10 0 ADAERN C[C@@H](O)c1ccccc1C(C)(C)O 238389829 573408516 /nfs/dbraw/zinc/40/85/16/573408516.db2.gz QFYTVLMFCCRECV-MRVPVSSYSA-N 0 0 180.247 1.967 10 0 ADAERN CC(=O)C(=O)NCc1ccc(F)cc1 259098257 573408517 /nfs/dbraw/zinc/40/85/17/573408517.db2.gz ZFKMIJNNIWVXBK-UHFFFAOYSA-N 0 0 195.193 1.031 10 0 ADAERN NOCC(F)(F)C1CCC1 259096794 573406004 /nfs/dbraw/zinc/40/60/04/573406004.db2.gz DLMSTGCGCRFISC-UHFFFAOYSA-N 0 0 151.156 1.312 10 0 ADAERN CC[C@]12CC[C@H]1[C@H](CCCO)C(=O)O2 308576017 573406005 /nfs/dbraw/zinc/40/60/05/573406005.db2.gz HIGIGPQDCNWXJP-QXEWZRGKSA-N 0 0 198.262 1.491 10 0 ADAERN COC(=O)C1(c2nccs2)CCC1 259441351 573406016 /nfs/dbraw/zinc/40/60/16/573406016.db2.gz JWXJEUXSGKHXSV-UHFFFAOYSA-N 0 0 197.259 1.738 10 0 ADAERN CCc1cc(N[C@H](C)C(=O)[O-])cc[nH+]1 107182953 573406026 /nfs/dbraw/zinc/40/60/26/573406026.db2.gz FJPRSJWBGZUTJB-SSDOTTSWSA-N 0 0 194.234 1.529 10 0 ADAERN CCONC(=O)c1ccc(F)cc1N 83116816 573406031 /nfs/dbraw/zinc/40/60/31/573406031.db2.gz SABHGNFPJJNSBB-UHFFFAOYSA-N 0 0 198.197 1.089 10 0 ADAERN C[C@@H](O)c1ccc([S@](C)=O)cc1 238388844 573407738 /nfs/dbraw/zinc/40/77/38/573407738.db2.gz NUOHQKHMEMPALT-KRTXAFLBSA-N 0 0 184.260 1.477 10 0 ADAERN CONCc1ccc(C)c(N(C)C)c1 259441370 573408940 /nfs/dbraw/zinc/40/89/40/573408940.db2.gz OUUMWMBLFUZIAX-UHFFFAOYSA-N 0 0 194.278 1.712 10 0 ADAERN C=CS/C=C/[C@@H](C)O 238380478 573407744 /nfs/dbraw/zinc/40/77/44/573407744.db2.gz HKVBIQWNONYLFX-BMMSZFGTSA-N 0 0 130.212 1.758 10 0 ADAERN COCc1nc2c(s1)CCC[C@@H]2O 83117316 573407747 /nfs/dbraw/zinc/40/77/47/573407747.db2.gz NXKGKMQFADIUIX-LURJTMIESA-N 0 0 199.275 1.659 10 0 ADAERN COC(=O)/C=C\[C@@H]1CCCC[C@H]1CO 308576784 573407750 /nfs/dbraw/zinc/40/77/50/573407750.db2.gz HVHZULZPKICTEB-QTPDZXDFSA-N 0 0 198.262 1.514 10 0 ADAERN O=C1NOC[C@H](c2ccc(F)cc2)O1 257810387 573407040 /nfs/dbraw/zinc/40/70/40/573407040.db2.gz AJCBTCWNGHVHAC-MRVPVSSYSA-N 0 0 197.165 1.538 10 0 ADAERN C[C@]1(F)CCc2n[nH]c(CO)c21 258646901 573407060 /nfs/dbraw/zinc/40/70/60/573407060.db2.gz ZFSFNWYMLVFWFO-QMMMGPOBSA-N 0 0 170.187 1.033 10 0 ADAERN NNC[C@@H](CO)C1CCCCCC1 257810938 573407078 /nfs/dbraw/zinc/40/70/78/573407078.db2.gz ASOYOIUOLRAKBM-JTQLQIEISA-N 0 0 186.299 1.029 10 0 ADAERN CC(=O)[C@@H](F)Cc1cccc(O)c1 257810967 573407080 /nfs/dbraw/zinc/40/70/80/573407080.db2.gz AUBLZCVUIYURMF-JTQLQIEISA-N 0 0 182.194 1.862 10 0 ADAERN COC(=O)/C=C/[C@@H]1CCCC[C@@H]1CO 308576782 573407086 /nfs/dbraw/zinc/40/70/86/573407086.db2.gz HVHZULZPKICTEB-LOSXEJPUSA-N 0 0 198.262 1.514 10 0 ADAERN CN(C)c1nc2c(s1)CCCC2=O 83117345 573407088 /nfs/dbraw/zinc/40/70/88/573407088.db2.gz HSNHILQOJWLXRI-UHFFFAOYSA-N 0 0 196.275 1.728 10 0 ADAERN C[C@@H]1[NH2+]CCCC[C@H]1CC(=O)[O-] 238389358 573407765 /nfs/dbraw/zinc/40/77/65/573407765.db2.gz ABFMKZHQDZDCNK-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN NC(=O)Cc1c(F)ccc2ccoc12 118478604 573407127 /nfs/dbraw/zinc/40/71/27/573407127.db2.gz FNMSDBGPKQOFIO-UHFFFAOYSA-N 0 0 193.177 1.600 10 0 ADAERN CCOc1cc2[nH]c(C)cn2n1 118501431 573407165 /nfs/dbraw/zinc/40/71/65/573407165.db2.gz YZQGQWBXVXPXFV-UHFFFAOYSA-N 0 0 165.196 1.370 10 0 ADAERN CC(C)(CNC(=O)C=O)C1CCCC1 258646754 573407181 /nfs/dbraw/zinc/40/71/81/573407181.db2.gz GPXUIPKIZUTDQA-UHFFFAOYSA-N 0 0 197.278 1.518 10 0 ADAERN CC(C)C[C@@H]([C@@H](C)C(=O)[O-])[NH+](C)C 259440746 573407184 /nfs/dbraw/zinc/40/71/84/573407184.db2.gz ITXKVAPQIXURIR-BDAKNGLRSA-N 0 0 187.283 1.683 10 0 ADAERN COC1=C[C@@H]2[C@@H](C)CC(=O)[C@H]12 238389199 573407202 /nfs/dbraw/zinc/40/72/02/573407202.db2.gz JUSPMKUZUYFXGI-CCGCGBOQSA-N 0 0 152.193 1.372 10 0 ADAERN CCCOC[C@H](O)c1ccncc1F 133544454 573407290 /nfs/dbraw/zinc/40/72/90/573407290.db2.gz GDIXVBVYRSRZSB-JTQLQIEISA-N 0 0 199.225 1.681 10 0 ADAERN COc1cc(=O)c(C(F)F)c[nH]1 238389187 573407303 /nfs/dbraw/zinc/40/73/03/573407303.db2.gz DHSCLNLYILAGHE-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN CO[C@]1(C)C(=O)C[C@@H]2CC=C[C@@H]21 238389071 573407349 /nfs/dbraw/zinc/40/73/49/573407349.db2.gz ACVSZGMOXREJMJ-NRPADANISA-N 0 0 166.220 1.557 10 0 ADAERN CO[C@]1(C)C(=O)[C@@H]2CCC=C[C@@H]21 238389034 573407374 /nfs/dbraw/zinc/40/73/74/573407374.db2.gz BXKYSIZFGLQXIQ-WEDXCCLWSA-N 0 0 166.220 1.557 10 0 ADAERN CCCCC[C@]1(C)N=C(NC)NC1=O 133513440 573407406 /nfs/dbraw/zinc/40/74/06/573407406.db2.gz XRMSKFFQVAYNSE-JTQLQIEISA-N 0 0 197.282 1.031 10 0 ADAERN COc1cc(=O)c(C(F)F)c(N)[nH]1 238389117 573407407 /nfs/dbraw/zinc/40/74/07/573407407.db2.gz ZCHTYWGSCGBPNN-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COc1cc([C@@H]2CCCC2=O)ccn1 238380945 573407426 /nfs/dbraw/zinc/40/74/26/573407426.db2.gz OQOAYABKTVRGCV-VIFPVBQESA-N 0 0 191.230 1.927 10 0 ADAERN O=Cc1nc(C[C@H]2CCSC2)no1 258020325 573407461 /nfs/dbraw/zinc/40/74/61/573407461.db2.gz NKKBNJIWRVNPJY-ZCFIWIBFSA-N 0 0 198.247 1.178 10 0 ADAERN COC[C@H](C)Nc1cnccc1OC 308575685 573407467 /nfs/dbraw/zinc/40/74/67/573407467.db2.gz DIAOIOAQAXVUHY-QMMMGPOBSA-N 0 0 196.250 1.537 10 0 ADAERN CCONC(=O)c1cc(C)ccc1N 83116726 573407477 /nfs/dbraw/zinc/40/74/77/573407477.db2.gz KHDJXVRFDBXSRE-UHFFFAOYSA-N 0 0 194.234 1.259 10 0 ADAERN CO[C@@H](C)CN(C)c1ccnc(F)c1 308576097 573407492 /nfs/dbraw/zinc/40/74/92/573407492.db2.gz HNIGJHUALRNBMK-QMMMGPOBSA-N 0 0 198.241 1.692 10 0 ADAERN CCOC(=O)CNc1ccc(F)nc1 308575173 573407573 /nfs/dbraw/zinc/40/75/73/573407573.db2.gz DDWDWMTXFDEWLN-UHFFFAOYSA-N 0 0 198.197 1.196 10 0 ADAERN O=Cc1cc(C[C@H]2CCCOC2)on1 259440792 573407623 /nfs/dbraw/zinc/40/76/23/573407623.db2.gz ZYEMXXCWWKOOPK-MRVPVSSYSA-N 0 0 195.218 1.456 10 0 ADAERN C[C@@H](O)c1ccc(/C=C/CO)cc1 238388922 573407631 /nfs/dbraw/zinc/40/76/31/573407631.db2.gz SDJVGMPWALVBLI-GKQMSVHHSA-N 0 0 178.231 1.745 10 0 ADAERN CCC1(C(=O)OC)CC1 118545642 573407640 /nfs/dbraw/zinc/40/76/40/573407640.db2.gz QNVFZPAOSZRYTP-UHFFFAOYSA-N 0 0 128.171 1.350 10 0 ADAERN COC(=O)Cc1c(C)[nH]c(C)c1C 238380805 573407673 /nfs/dbraw/zinc/40/76/73/573407673.db2.gz RNYLNEOQVDXSLN-UHFFFAOYSA-N 0 0 181.235 1.655 10 0 ADAERN C[C@H]1Cc2cc(N)cc(N)c2N1 118489449 573407691 /nfs/dbraw/zinc/40/76/91/573407691.db2.gz IKFRCFMTANDWRJ-YFKPBYRVSA-N 0 0 163.224 1.208 10 0 ADAERN COc1cc2c(cc1CO)CCC2=O 238389048 573407700 /nfs/dbraw/zinc/40/77/00/573407700.db2.gz YFDQGISOZPSWGO-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN CCC(CC)[C@H](NN)c1ccnn1C 133519846 573407701 /nfs/dbraw/zinc/40/77/01/573407701.db2.gz KHZWODIQEKEYRO-JTQLQIEISA-N 0 0 196.298 1.361 10 0 ADAERN CC[C@]12CC[C@@H]1[C@H](CCCO)C(=O)O2 308576015 573407714 /nfs/dbraw/zinc/40/77/14/573407714.db2.gz HIGIGPQDCNWXJP-NGZCFLSTSA-N 0 0 198.262 1.491 10 0 ADAERN CC[C@@H](CO)CN(C)c1cccnc1 259098077 573407718 /nfs/dbraw/zinc/40/77/18/573407718.db2.gz WRALLDJEQZHNLG-SNVBAGLBSA-N 0 0 194.278 1.536 10 0 ADAERN Nc1ccc(CC2C[NH2+]C2)cc1[S-] 259102306 573407726 /nfs/dbraw/zinc/40/77/26/573407726.db2.gz FQXYYTCIHWWHCN-UHFFFAOYSA-N 0 0 194.303 1.319 10 0 ADAERN COC1=N[C@H](C(C)(C)C)N[C@H]1C 238380746 573408947 /nfs/dbraw/zinc/40/89/47/573408947.db2.gz KNLAXUFTKFPSQX-POYBYMJQSA-N 0 0 170.256 1.395 10 0 ADAERN CC(C)N(N)[C@@H](CO)c1ccccc1 308574890 573408154 /nfs/dbraw/zinc/40/81/54/573408154.db2.gz GUADIWIYQZIBRJ-NSHDSACASA-N 0 0 194.278 1.304 10 0 ADAERN CC(C)=C(C(=O)[O-])[C@@H](C)[NH+](C)C 238389227 573408174 /nfs/dbraw/zinc/40/81/74/573408174.db2.gz RTDLVZKUNMUYRQ-SSDOTTSWSA-N 0 0 171.240 1.358 10 0 ADAERN COC1=C[C@@H]2C(=O)CC[C@@H]2CC1 238389761 573408181 /nfs/dbraw/zinc/40/81/81/573408181.db2.gz LALGGUUXVDQLQV-CBAPKCEASA-N 0 0 166.220 1.906 10 0 ADAERN C[C@@H](O)c1ccc([S@@](C)=O)cc1 238388829 573408186 /nfs/dbraw/zinc/40/81/86/573408186.db2.gz NUOHQKHMEMPALT-JMCQJSRRSA-N 0 0 184.260 1.477 10 0 ADAERN C[C@H](O)C(=O)C[C@H](O)c1ccccc1 308576033 573408208 /nfs/dbraw/zinc/40/82/08/573408208.db2.gz HJCSPCQHZZYNOQ-KWQFWETISA-N 0 0 194.230 1.060 10 0 ADAERN CNOCc1cccc(O)c1 258646850 573408212 /nfs/dbraw/zinc/40/82/12/573408212.db2.gz ZFHIJIXIAMHNPZ-UHFFFAOYSA-N 0 0 153.181 1.043 10 0 ADAERN Brc1nc2cccnc2o1 107189126 573408216 /nfs/dbraw/zinc/40/82/16/573408216.db2.gz UVELWOIYTDTQQQ-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN CCONC(=O)c1cc(F)ccc1N 83116747 573408217 /nfs/dbraw/zinc/40/82/17/573408217.db2.gz AERVGRQSSLVJTP-UHFFFAOYSA-N 0 0 198.197 1.089 10 0 ADAERN CC(C)(CNC(=O)C=O)C1CCC1 258647089 573408251 /nfs/dbraw/zinc/40/82/51/573408251.db2.gz GUCPCPCFQBVRJE-UHFFFAOYSA-N 0 0 183.251 1.128 10 0 ADAERN C[C@@H]1Cc2cc(N)cc(N)c2N1 118489446 573408254 /nfs/dbraw/zinc/40/82/54/573408254.db2.gz IKFRCFMTANDWRJ-RXMQYKEDSA-N 0 0 163.224 1.208 10 0 ADAERN CCO[C@@](C)(CC)C(=O)CCOC 686243242 573408258 /nfs/dbraw/zinc/40/82/58/573408258.db2.gz DBAPAPQTHVXCGP-JTQLQIEISA-N 0 0 188.267 1.797 10 0 ADAERN COc1cc2c(cc1O)CCC(=O)C2 238389870 573408260 /nfs/dbraw/zinc/40/82/60/573408260.db2.gz PFZZXGJMGHWKIN-UHFFFAOYSA-N 0 0 192.214 1.459 10 0 ADAERN CCSc1cc2nc(C)nn2[nH]1 118495086 573408274 /nfs/dbraw/zinc/40/82/74/573408274.db2.gz HKMBTGGQZAEIOB-UHFFFAOYSA-N 0 0 182.252 1.478 10 0 ADAERN COc1ccc(CF)c(O)c1 238388898 573408304 /nfs/dbraw/zinc/40/83/04/573408304.db2.gz FVMITNCKAXNTMB-UHFFFAOYSA-N 0 0 156.156 1.870 10 0 ADAERN Cc1nn(C[C@H]2CCSC2)cc1N 716730058 573408311 /nfs/dbraw/zinc/40/83/11/573408311.db2.gz LYVQWUWENANLQF-MRVPVSSYSA-N 0 0 197.307 1.527 10 0 ADAERN COc1ccc(NCC[C@H](C)O)cn1 133519615 573408370 /nfs/dbraw/zinc/40/83/70/573408370.db2.gz BDICKFFOQWMVBR-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN COC1=N[C@H](C(C)(C)C)NC[C@@H]1C 238380530 573408887 /nfs/dbraw/zinc/40/88/87/573408887.db2.gz SVLPVLZYFUBJEM-IONNQARKSA-N 0 0 184.283 1.643 10 0 ADAERN CC1(F)C[C@@H]2CC[C@H](C1)C2O 259096974 573408393 /nfs/dbraw/zinc/40/83/93/573408393.db2.gz DOWXGCUABTZOCC-QPIHLSAKSA-N 0 0 158.216 1.896 10 0 ADAERN Cc1nc2c(s1)CCCC2=O 83117034 573408433 /nfs/dbraw/zinc/40/84/33/573408433.db2.gz XXCXOMQNNFDRGP-UHFFFAOYSA-N 0 0 167.233 1.971 10 0 ADAERN CCC(CC)[C@@H](NN)c1ccnn1C 133520050 573408453 /nfs/dbraw/zinc/40/84/53/573408453.db2.gz KHZWODIQEKEYRO-SNVBAGLBSA-N 0 0 196.298 1.361 10 0 ADAERN Cc1[nH]c(-c2ccc[nH]2)cc1CO 259097017 573408460 /nfs/dbraw/zinc/40/84/60/573408460.db2.gz HDLDDWDXHOQADT-UHFFFAOYSA-N 0 0 176.219 1.811 10 0 ADAERN COc1cc(C=O)ncc1C1CC1 238388942 573408468 /nfs/dbraw/zinc/40/84/68/573408468.db2.gz LVNOXKIUNQTXBW-UHFFFAOYSA-N 0 0 177.203 1.780 10 0 ADAERN COC(=O)c1cc(C)c2[nH]ccc2n1 238380442 573408498 /nfs/dbraw/zinc/40/84/98/573408498.db2.gz VXVOCSPPQBMMRU-UHFFFAOYSA-N 0 0 190.202 1.658 10 0 ADAERN Cc1nn(C[C@@H]2CCSC2)cc1N 716730061 573408513 /nfs/dbraw/zinc/40/85/13/573408513.db2.gz LYVQWUWENANLQF-QMMMGPOBSA-N 0 0 197.307 1.527 10 0 ADAERN CC(C)C[C@H]([C@H](C)C(=O)[O-])[NH+](C)C 259440748 573408896 /nfs/dbraw/zinc/40/88/96/573408896.db2.gz ITXKVAPQIXURIR-DTWKUNHWSA-N 0 0 187.283 1.683 10 0 ADAERN CCn1c(C(C)=O)cnc1Cl 118532348 573408583 /nfs/dbraw/zinc/40/85/83/573408583.db2.gz MEGNXERWIKVLEU-UHFFFAOYSA-N 0 0 172.615 1.759 10 0 ADAERN COC1=C[C@H]2C(=O)CC[C@H]2CC1 238389257 573408602 /nfs/dbraw/zinc/40/86/02/573408602.db2.gz LALGGUUXVDQLQV-VXNVDRBHSA-N 0 0 166.220 1.906 10 0 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CCC[C@@H](C)OC(=O)[C@H](CC)CO 308386390 573411304 /nfs/dbraw/zinc/41/13/04/573411304.db2.gz XFHNRYUAKUQUHN-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN COC(=O)Cc1c(C)cccc1F 238381171 573411322 /nfs/dbraw/zinc/41/13/22/573411322.db2.gz ZYIJQXJEUYKIKI-UHFFFAOYSA-N 0 0 182.194 1.850 10 0 ADAERN Cc1c(C(C)C)[nH]oc1=O 107218005 573411327 /nfs/dbraw/zinc/41/13/27/573411327.db2.gz SEEIARJCLAEAIV-UHFFFAOYSA-N 0 0 141.170 1.400 10 0 ADAERN COc1ccnc(C(F)F)c1C=O 238382755 573411348 /nfs/dbraw/zinc/41/13/48/573411348.db2.gz LEPDNQNQKDIKIQ-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN COc1nc(CO)ccc1C(F)F 238382665 573411360 /nfs/dbraw/zinc/41/13/60/573411360.db2.gz MAVUCKHUJSIBOT-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CN[C@@H](C(=O)OC)c1ccc(C)o1 259101417 573411385 /nfs/dbraw/zinc/41/13/85/573411385.db2.gz QCKYTNBFPXDZEB-MRVPVSSYSA-N 0 0 183.207 1.022 10 0 ADAERN CO[C@@]1(C)SCCS[C@@H]1O 238381020 573411409 /nfs/dbraw/zinc/41/14/09/573411409.db2.gz TYSGUKOMBAZLBY-WDSKDSINSA-N 0 0 180.294 1.147 10 0 ADAERN Cc1cc(N)c(OCCCO)cc1F 308578633 573411465 /nfs/dbraw/zinc/41/14/65/573411465.db2.gz ISGBQAYJIMFZCP-UHFFFAOYSA-N 0 0 199.225 1.478 10 0 ADAERN COc1nc2c(Cl)n[nH]c2cc1C 238382050 573411496 /nfs/dbraw/zinc/41/14/96/573411496.db2.gz SECHIUPPCLYYBQ-UHFFFAOYSA-N 0 0 197.625 1.928 10 0 ADAERN COC(=O)[C@H](N(C)C1CC1)C(C)(C)C 259097957 573411516 /nfs/dbraw/zinc/41/15/16/573411516.db2.gz PSGZWXCPANGKAR-VIFPVBQESA-N 0 0 199.294 1.668 10 0 ADAERN Cc1ccccc1COCCO 118672520 573411517 /nfs/dbraw/zinc/41/15/17/573411517.db2.gz VUXGDVWWLLCKPD-UHFFFAOYSA-N 0 0 166.220 1.504 10 0 ADAERN CCn1nccc1C(=O)C1CCC1 83120267 573411542 /nfs/dbraw/zinc/41/15/42/573411542.db2.gz IPDBJAKJNNKZJV-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN COC(=O)CC[C@H]1CCC[C@@H]1O 257810690 573418137 /nfs/dbraw/zinc/41/81/37/573418137.db2.gz APFYAIDMNIKBRI-SFYZADRCSA-N 0 0 172.224 1.101 10 0 ADAERN Cc1c(C2CC2)[nH]oc1=O 107217612 573411670 /nfs/dbraw/zinc/41/16/70/573411670.db2.gz YFLMABRSXOGABL-UHFFFAOYSA-N 0 0 139.154 1.566 10 0 ADAERN C[C@@H](O)/C=C/[C@](C)(O)c1ccccc1 238380969 573411672 /nfs/dbraw/zinc/41/16/72/573411672.db2.gz AQLDFWAHWNEZBC-QMTFQVMMSA-N 0 0 192.258 1.831 10 0 ADAERN CCn1nccc1[C@H](O)C1CCC1 83120637 573411674 /nfs/dbraw/zinc/41/16/74/573411674.db2.gz OYUBRBUVNBSRTB-SNVBAGLBSA-N 0 0 180.251 1.737 10 0 ADAERN CCOC(=O)NC[C@H]1CCC=CO1 308386366 573411699 /nfs/dbraw/zinc/41/16/99/573411699.db2.gz XDQARBHHYZOHHD-MRVPVSSYSA-N 0 0 185.223 1.425 10 0 ADAERN O=CNc1cc(-c2ccccc2)[nH]n1 118636242 573411718 /nfs/dbraw/zinc/41/17/18/573411718.db2.gz XCVUHIHJUJLDRA-UHFFFAOYSA-N 0 0 187.202 1.645 10 0 ADAERN CN[C@@](C)(C[C@@H]1CCCO1)C(F)F 689810281 573411719 /nfs/dbraw/zinc/41/17/19/573411719.db2.gz UEMHEZDYOIOMTG-CBAPKCEASA-N 0 0 193.237 1.799 10 0 ADAERN Cn1cc(OC[C@@H](O)C(C)(C)C)cn1 308577280 573411727 /nfs/dbraw/zinc/41/17/27/573411727.db2.gz IDIQFDWHQJZFQL-SECBINFHSA-N 0 0 198.266 1.206 10 0 ADAERN CCC(CC)[C@@H]1CCN(C(N)=O)C1 308385929 573411752 /nfs/dbraw/zinc/41/17/52/573411752.db2.gz WZGQRXBDPYIBLA-SECBINFHSA-N 0 0 184.283 1.823 10 0 ADAERN CCCC[C@H]1C(=O)CC[C@@H]1C(=O)OC 33506345 573411753 /nfs/dbraw/zinc/41/17/53/573411753.db2.gz ICIZBTGTSKEFDG-BDAKNGLRSA-N 0 0 198.262 1.945 10 0 ADAERN C/C=C\CCNc1cc(=O)[nH]c(C)n1 308384526 573411761 /nfs/dbraw/zinc/41/17/61/573411761.db2.gz ZZSNFRZDKQELEZ-ARJAWSKDSA-N 0 0 193.250 1.869 10 0 ADAERN CC(C)(N)c1nc(C2CCC2)no1 83120117 573411767 /nfs/dbraw/zinc/41/17/67/573411767.db2.gz LPWIUOJPJJEOPM-UHFFFAOYSA-N 0 0 181.239 1.531 10 0 ADAERN Cc1c(C2CC2)[nH]oc1=O 107217587 573411773 /nfs/dbraw/zinc/41/17/73/573411773.db2.gz GJLLJKANDFQOOQ-UHFFFAOYSA-N 0 0 139.154 1.154 10 0 ADAERN CCCOCC(=O)c1ccncc1F 133525257 573411779 /nfs/dbraw/zinc/41/17/79/573411779.db2.gz MTFGUGMPWYMEDO-UHFFFAOYSA-N 0 0 197.209 1.830 10 0 ADAERN C[C@H](N)c1nc(C2CCC2)no1 83120110 573411789 /nfs/dbraw/zinc/41/17/89/573411789.db2.gz KJYZVSKUWZWLQB-YFKPBYRVSA-N 0 0 167.212 1.357 10 0 ADAERN C[C@H](O)[C@H]1CCc2ccccc2N1 83119787 573411828 /nfs/dbraw/zinc/41/18/28/573411828.db2.gz WHSHOTYFHVHDCP-WCBMZHEXSA-N 0 0 177.247 1.794 10 0 ADAERN Cc1nc(CNC(=O)NC(C)C)co1 74902698 573411834 /nfs/dbraw/zinc/41/18/34/573411834.db2.gz FEASMLBWKLEUMV-UHFFFAOYSA-N 0 0 197.238 1.191 10 0 ADAERN C=Cc1nc(C2CCC2)no1 83119979 573411950 /nfs/dbraw/zinc/41/19/50/573411950.db2.gz KHPOXHBQYKQWMI-UHFFFAOYSA-N 0 0 150.181 1.980 10 0 ADAERN COCCC(=O)c1cccc(N)c1 686243405 573411884 /nfs/dbraw/zinc/41/18/84/573411884.db2.gz NRRXJLCCUIXCPS-UHFFFAOYSA-N 0 0 179.219 1.488 10 0 ADAERN CC(C)(C)NC(=O)N1CCCOC1 74905197 573411894 /nfs/dbraw/zinc/41/18/94/573411894.db2.gz ORIRIQKJRMFWOQ-UHFFFAOYSA-N 0 0 186.255 1.174 10 0 ADAERN OCCC[C@H](O)/C=C\c1ccccc1 308578072 573411900 /nfs/dbraw/zinc/41/19/00/573411900.db2.gz ILGUOWDCMOXQHY-LAUAKBEESA-N 0 0 192.258 1.833 10 0 ADAERN COC[C@H]1C(=O)N(C)c2ccccc21 238382406 573411901 /nfs/dbraw/zinc/41/19/01/573411901.db2.gz RSRIYLPOIFAJRP-SECBINFHSA-N 0 0 191.230 1.393 10 0 ADAERN Cc1ccnc(CC[C@@H](C)O)c1 238381795 573411919 /nfs/dbraw/zinc/41/19/19/573411919.db2.gz RLUVOAQIOPFQQA-SECBINFHSA-N 0 0 165.236 1.703 10 0 ADAERN Cn1nccc1[C@H](O)C1CCC1 83120584 573414324 /nfs/dbraw/zinc/41/43/24/573414324.db2.gz RLBALAUDNRFCIP-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN CCCCC[C@H]1N=C(NCC)NC1=O 133573224 573414402 /nfs/dbraw/zinc/41/44/02/573414402.db2.gz NZQFQMUCOJOOEN-MRVPVSSYSA-N 0 0 197.282 1.031 10 0 ADAERN CCc1cc(=O)[nH]c(C2CCC2)n1 83120180 573414559 /nfs/dbraw/zinc/41/45/59/573414559.db2.gz JFZXYXRKYRYQDD-UHFFFAOYSA-N 0 0 178.235 1.600 10 0 ADAERN Cc1nc[nH]c1[C@H]1CSCC[NH2+]1 257810682 573414565 /nfs/dbraw/zinc/41/45/65/573414565.db2.gz APCNNHUMBHLLCG-SSDOTTSWSA-N 0 0 183.280 1.096 10 0 ADAERN COc1ccc(N)c2c1C(=O)CC2 238384652 573415803 /nfs/dbraw/zinc/41/58/03/573415803.db2.gz UOJNYNVFJPXDOK-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN CCN(C)C(=O)/C=C\c1cc[nH]c1 308387912 573414506 /nfs/dbraw/zinc/41/45/06/573414506.db2.gz YDDMWWFCSXFPEF-PLNGDYQASA-N 0 0 178.235 1.506 10 0 ADAERN C/C=C/[C@@H](O)[C@H]1OC1(C)C 118670029 573414512 /nfs/dbraw/zinc/41/45/12/573414512.db2.gz OVXDVGBIZUNBLF-XIMOZBJHSA-N 0 0 142.198 1.101 10 0 ADAERN CCNC(=S)N1C[C@@H](CC)C=N1 118613683 573413136 /nfs/dbraw/zinc/41/31/36/573413136.db2.gz IUOIQTHKGRBWIA-ZETCQYMHSA-N 0 0 185.296 1.208 10 0 ADAERN COc1ccc2nc(N)nc-2cc1 238381559 573413161 /nfs/dbraw/zinc/41/31/61/573413161.db2.gz ACOKSPVCKFICTL-UHFFFAOYSA-N 0 0 175.191 1.172 10 0 ADAERN CCNC(=S)N1C[C@H](CC)C=N1 118613684 573414529 /nfs/dbraw/zinc/41/45/29/573414529.db2.gz IUOIQTHKGRBWIA-SSDOTTSWSA-N 0 0 185.296 1.208 10 0 ADAERN COC(=O)c1cc(C)n2nccc2c1 238381546 573413164 /nfs/dbraw/zinc/41/31/64/573413164.db2.gz MUXDETGWTIBBJX-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CO[C@H]1O[C@H](C(C)=O)CC[C@@H]1C 238381376 573413198 /nfs/dbraw/zinc/41/31/98/573413198.db2.gz PGBCTRWDUHADOB-XVYDVKMFSA-N 0 0 172.224 1.363 10 0 ADAERN Cc1cnccc1[C@@H](C)CO 238382677 573413205 /nfs/dbraw/zinc/41/32/05/573413205.db2.gz MDZMDSSGSSVQMS-QMMMGPOBSA-N 0 0 151.209 1.486 10 0 ADAERN CCn1cc([C@H](O)C2CCC2)cn1 83120663 573413207 /nfs/dbraw/zinc/41/32/07/573413207.db2.gz PYPGHLAUQDGGNX-SNVBAGLBSA-N 0 0 180.251 1.737 10 0 ADAERN CC[C@@H](N)c1nc(C2CCC2)no1 83120019 573413222 /nfs/dbraw/zinc/41/32/22/573413222.db2.gz CFDURNYLFBJVRB-SSDOTTSWSA-N 0 0 181.239 1.747 10 0 ADAERN CCc1nc(C2CCC2)[nH]c(=O)c1C 83120192 573413317 /nfs/dbraw/zinc/41/33/17/573413317.db2.gz CSGBRGXWDWZUNI-UHFFFAOYSA-N 0 0 192.262 1.908 10 0 ADAERN COC(=O)Cc1c(C)c[nH]c1C 238380954 573413257 /nfs/dbraw/zinc/41/32/57/573413257.db2.gz HAOXRONIGPQSTN-UHFFFAOYSA-N 0 0 167.208 1.347 10 0 ADAERN ON[C@@H]1CCc2ccccc21 118635800 573413270 /nfs/dbraw/zinc/41/32/70/573413270.db2.gz UQNKNMRWWXHHFX-SECBINFHSA-N 0 0 149.193 1.653 10 0 ADAERN Nc1nccc(COCCC2CC2)n1 308577687 573413282 /nfs/dbraw/zinc/41/32/82/573413282.db2.gz IIUIZLWFYGTTNF-UHFFFAOYSA-N 0 0 193.250 1.376 10 0 ADAERN NC(=O)CC1Cc2ccccc2C1 118653510 573413293 /nfs/dbraw/zinc/41/32/93/573413293.db2.gz FXUUGDVQYOENBV-UHFFFAOYSA-N 0 0 175.231 1.277 10 0 ADAERN C[C@@H]1CN(c2cccc(O)c2)C(=O)N1 257811085 573413295 /nfs/dbraw/zinc/41/32/95/573413295.db2.gz AXXGNOQKNRWVPE-SSDOTTSWSA-N 0 0 192.218 1.310 10 0 ADAERN Nc1ncccc1C[C@H](O)C1CCC1 83120916 573413296 /nfs/dbraw/zinc/41/32/96/573413296.db2.gz OTYBYTSEOWLIFR-JTQLQIEISA-N 0 0 192.262 1.367 10 0 ADAERN Cn1cnc(-c2ccccn2)c1N 258647106 573413301 /nfs/dbraw/zinc/41/33/01/573413301.db2.gz RIVGINILLRWMFI-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CO[C@@H](CO)C1=C(C)CCCC1 238381983 573413323 /nfs/dbraw/zinc/41/33/23/573413323.db2.gz IZGDWCLTIQOXRY-JTQLQIEISA-N 0 0 170.252 1.884 10 0 ADAERN CC(C)NC(=O)N1CCCO[C@@H]1C 74905214 573413363 /nfs/dbraw/zinc/41/33/63/573413363.db2.gz KKLQWZVMUCRWPT-MRVPVSSYSA-N 0 0 186.255 1.173 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)c1cc(C)ns1 689952469 573413376 /nfs/dbraw/zinc/41/33/76/573413376.db2.gz DMTRLGICYQHNCB-LKEWCRSYSA-N 0 0 199.275 1.520 10 0 ADAERN C[C@H](O)[C@@H]1Cc2ccccc21 83121157 573413382 /nfs/dbraw/zinc/41/33/82/573413382.db2.gz CKPVKAMJHHSVJZ-XVKPBYJWSA-N 0 0 148.205 1.707 10 0 ADAERN Cn1cc(C[C@H](O)C2CCC2)cn1 83120486 573413394 /nfs/dbraw/zinc/41/33/94/573413394.db2.gz HHQFHPGTNBPEHB-JTQLQIEISA-N 0 0 180.251 1.124 10 0 ADAERN O[C@H](c1cnccn1)C1CCC1 83120844 573413398 /nfs/dbraw/zinc/41/33/98/573413398.db2.gz WFFJTPDBUFXWMH-VIFPVBQESA-N 0 0 164.208 1.310 10 0 ADAERN CCCC[C@@H]1C(=O)CC[C@H]1C(=O)OC 33506348 573413408 /nfs/dbraw/zinc/41/34/08/573413408.db2.gz ICIZBTGTSKEFDG-DTWKUNHWSA-N 0 0 198.262 1.945 10 0 ADAERN C[C@H]([NH2+][C@H](C)C(=O)[O-])C(C)(C)C 133604684 573413423 /nfs/dbraw/zinc/41/34/23/573413423.db2.gz ZOJONKRDWPWHDF-RQJHMYQMSA-N 0 0 173.256 1.484 10 0 ADAERN Cc1cc(CCO)cc2c1OCC2 258020364 573413455 /nfs/dbraw/zinc/41/34/55/573413455.db2.gz OCJZFXALDVCWGG-UHFFFAOYSA-N 0 0 178.231 1.465 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)c1cc(C)ns1 689952468 573413465 /nfs/dbraw/zinc/41/34/65/573413465.db2.gz DMTRLGICYQHNCB-BHNWBGBOSA-N 0 0 199.275 1.520 10 0 ADAERN CCc1c(C)nc(C2CCC2)[nH]c1=O 83120185 573413483 /nfs/dbraw/zinc/41/34/83/573413483.db2.gz MBKUQXKIBZVAJR-UHFFFAOYSA-N 0 0 192.262 1.908 10 0 ADAERN CCOCn1cccc1C=O 83119864 573413504 /nfs/dbraw/zinc/41/35/04/573413504.db2.gz ZZQOWVDJPZUFDB-UHFFFAOYSA-N 0 0 153.181 1.295 10 0 ADAERN CCCNC1=N[C@@](C)(CCC)C(=O)N1 133661858 573413507 /nfs/dbraw/zinc/41/35/07/573413507.db2.gz PCYZCXCBFBBGJD-JTQLQIEISA-N 0 0 197.282 1.031 10 0 ADAERN C/C=C\CCNC(=O)c1cnn(C)c1 308385214 573413520 /nfs/dbraw/zinc/41/35/20/573413520.db2.gz HBTGFIBGYLPZTN-ARJAWSKDSA-N 0 0 193.250 1.116 10 0 ADAERN CCCNC(=O)N1COCC1(C)C 74905327 573413528 /nfs/dbraw/zinc/41/35/28/573413528.db2.gz VBPDKCSZPZFAAW-UHFFFAOYSA-N 0 0 186.255 1.174 10 0 ADAERN COc1ccnc(C(C)=O)c1Cl 238382229 573413536 /nfs/dbraw/zinc/41/35/36/573413536.db2.gz QXGATSNVSPKOTH-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN CC(C)NC(=O)N(C)c1nccs1 74903522 573413544 /nfs/dbraw/zinc/41/35/44/573413544.db2.gz QFNNMKAZBWXAOR-UHFFFAOYSA-N 0 0 199.279 1.697 10 0 ADAERN Nc1ncccc1CC(=O)C1CCC1 83120269 573413558 /nfs/dbraw/zinc/41/35/58/573413558.db2.gz IRYCJDXVFARMGQ-UHFFFAOYSA-N 0 0 190.246 1.576 10 0 ADAERN C=C/C=C(/C)[C@H](O)C(C)(C)C(=O)OC 308578055 573413588 /nfs/dbraw/zinc/41/35/88/573413588.db2.gz IKPQBCGKOOUFLS-FUOZMLNRSA-N 0 0 198.262 1.679 10 0 ADAERN C/C=C\[C@H](O)CC(=O)C1=C(O)CCC1 308577245 573413621 /nfs/dbraw/zinc/41/36/21/573413621.db2.gz IBPZORRAOCLOEC-PJKNHULFSA-N 0 0 196.246 1.252 10 0 ADAERN CC(=O)[C@H](C)c1cc(=O)o[nH]1 107220054 573413629 /nfs/dbraw/zinc/41/36/29/573413629.db2.gz RDCIZOMJEYDSFQ-BYPYZUCNSA-N 0 0 155.153 1.073 10 0 ADAERN CCn1ccnc1C(=O)C1CCC1 83120315 573413649 /nfs/dbraw/zinc/41/36/49/573413649.db2.gz PKONEPWDDORDOU-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN COc1nc2c(C)cccc2nc1N 238381976 573413660 /nfs/dbraw/zinc/41/36/60/573413660.db2.gz YRDJTXATZXFFRM-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN Cn1cc(C[C@@H](O)C2CCC2)cn1 83120488 573413667 /nfs/dbraw/zinc/41/36/67/573413667.db2.gz HHQFHPGTNBPEHB-SNVBAGLBSA-N 0 0 180.251 1.124 10 0 ADAERN 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GXZPUBSSSITOLV-RNFRBKRXSA-N 0 0 144.214 1.325 10 0 ADAERN CCC(C)(C)[C@H](NN)c1ccnn1C 133595742 573413818 /nfs/dbraw/zinc/41/38/18/573413818.db2.gz OWMALNJMRBYZHX-SECBINFHSA-N 0 0 196.298 1.361 10 0 ADAERN C[C@@H](N)c1nc(C2CCC2)no1 83120111 573413825 /nfs/dbraw/zinc/41/38/25/573413825.db2.gz KJYZVSKUWZWLQB-RXMQYKEDSA-N 0 0 167.212 1.357 10 0 ADAERN COc1ccc(OC)c(NCO)c1 258647188 573413842 /nfs/dbraw/zinc/41/38/42/573413842.db2.gz MJWXFRVRHBSSAF-UHFFFAOYSA-N 0 0 183.207 1.066 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2ccccc21 83121160 573413845 /nfs/dbraw/zinc/41/38/45/573413845.db2.gz CKPVKAMJHHSVJZ-XCBNKYQSSA-N 0 0 148.205 1.707 10 0 ADAERN CC(C)[C@H](N)c1nc(C2CCC2)no1 83120037 573413850 /nfs/dbraw/zinc/41/38/50/573413850.db2.gz FWZYGWADKAUMJU-QMMMGPOBSA-N 0 0 195.266 1.993 10 0 ADAERN CCC[C@@H](C)NC1(C(=O)OC)CCC1 308577838 573413857 /nfs/dbraw/zinc/41/38/57/573413857.db2.gz FFCPPFNJEBAMTD-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN OCC(F)(F)Oc1ccc(F)cc1 118679870 573413862 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/nfs/dbraw/zinc/42/00/85/573420085.db2.gz JSHGPUHRKKLDMX-UHFFFAOYSA-N 0 0 190.202 1.271 10 0 ADAERN COC(=N)[C@@H]1Cc2ccccc21 83123348 573420090 /nfs/dbraw/zinc/42/00/90/573420090.db2.gz RMKUJJWZQNIOGM-SECBINFHSA-N 0 0 161.204 1.950 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@H](O)CCC 78070761 573420104 /nfs/dbraw/zinc/42/01/04/573420104.db2.gz SOZMVEZTNOBVOT-IVZWLZJFSA-N 0 0 174.284 1.945 10 0 ADAERN Cc1ccc2c(c1)O[C@](C)(C[NH3+])O2 258337075 573420116 /nfs/dbraw/zinc/42/01/16/573420116.db2.gz VFAGWGVRQRPKLI-SNVBAGLBSA-N 0 0 179.219 1.441 10 0 ADAERN Oc1ccc(C2CCOCC2)nc1F 118744817 573420117 /nfs/dbraw/zinc/42/01/17/573420117.db2.gz VBNXTISVAZQBBK-UHFFFAOYSA-N 0 0 197.209 1.820 10 0 ADAERN CO[C@@]12CCC[C@]1(C)C(=O)CC2 238385300 573420143 /nfs/dbraw/zinc/42/01/43/573420143.db2.gz AOAWTKZCUHIENL-NXEZZACHSA-N 0 0 168.236 1.925 10 0 ADAERN OC1(Cc2ccc3cnoc3c2)CC1 258024749 573420253 /nfs/dbraw/zinc/42/02/53/573420253.db2.gz IOBSPWSOBFJAIR-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN CO[C@@]12CC[C@@H](CC(=O)C1)C2 238385438 573420275 /nfs/dbraw/zinc/42/02/75/573420275.db2.gz ODYYDDVHKCGREK-IONNQARKSA-N 0 0 154.209 1.535 10 0 ADAERN Nc1ccc([C@H]2COCCN2)c(F)c1 211750426 573421323 /nfs/dbraw/zinc/42/13/23/573421323.db2.gz GBMCKPVIIRBMFL-SNVBAGLBSA-N 0 0 196.225 1.069 10 0 ADAERN C[C@@H]1CCC[C@H](N(C)C=O)C1 83141961 573421357 /nfs/dbraw/zinc/42/13/57/573421357.db2.gz BNVPJXOFYMSYKP-BDAKNGLRSA-N 0 0 155.241 1.653 10 0 ADAERN CC[N@@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C 118712207 573421343 /nfs/dbraw/zinc/42/13/43/573421343.db2.gz MRIXDWVBFYAATA-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1ccccc1N1N[C@H](C)CC1=O 257810793 573421364 /nfs/dbraw/zinc/42/13/64/573421364.db2.gz AQXUOJVAHKVVRP-SECBINFHSA-N 0 0 190.246 1.625 10 0 ADAERN COC(=O)c1ccc(C)c2nccn12 238385030 573421368 /nfs/dbraw/zinc/42/13/68/573421368.db2.gz ANGREBFEKZFYFV-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN Cc1ccc(F)c(CCON)c1F 258024777 573421380 /nfs/dbraw/zinc/42/13/80/573421380.db2.gz IOTARXLSMVGVGA-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN C[C@H]1CC[C@]([NH3+])(C(=O)[O-])[C@@H](C)C1 118707583 573421131 /nfs/dbraw/zinc/42/11/31/573421131.db2.gz QNFVJILUAHVTMA-ACLDMZEESA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]1C[C@@]1(C)[C@@H]([NH2+]C1CCC1)C(=O)[O-] 714690047 573421132 /nfs/dbraw/zinc/42/11/32/573421132.db2.gz MJSFVADQAAEYDG-POZPLHJXSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@@H]([NH2+]C1CCC1)C(=O)[O-] 714690042 573421141 /nfs/dbraw/zinc/42/11/41/573421141.db2.gz MJSFVADQAAEYDG-HDBBIHSSSA-N 0 0 197.278 1.628 10 0 ADAERN O=c1nc(-c2ccco2)cc[nH]1 118689021 573421178 /nfs/dbraw/zinc/42/11/78/573421178.db2.gz OUJQZEFODGGFBI-UHFFFAOYSA-N 0 0 162.148 1.442 10 0 ADAERN COCCc1cccc(CCON)c1 259443805 573421197 /nfs/dbraw/zinc/42/11/97/573421197.db2.gz LXRNIJIAUSXHIN-UHFFFAOYSA-N 0 0 195.262 1.308 10 0 ADAERN CO[C@H](CC(C)C)NC(C)=O 238399339 573421202 /nfs/dbraw/zinc/42/12/02/573421202.db2.gz VSLZEDJFXIVFFT-MRVPVSSYSA-N 0 0 159.229 1.141 10 0 ADAERN COC(=O)Nc1ccnc(C)c1 74932078 573421204 /nfs/dbraw/zinc/42/12/04/573421204.db2.gz XXMLDLXLORMSRV-UHFFFAOYSA-N 0 0 166.180 1.568 10 0 ADAERN C[C@H](C(=O)N(C)C(C)(C)CO)C1CC1 133634634 573421213 /nfs/dbraw/zinc/42/12/13/573421213.db2.gz KSQVBIHBULLAQH-QMMMGPOBSA-N 0 0 199.294 1.262 10 0 ADAERN COc1cc(=O)[nH]c(C(F)F)c1O 238399336 573421216 /nfs/dbraw/zinc/42/12/16/573421216.db2.gz FYWIYSKAYLOLKQ-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN C[C@@]1(c2nnc(N)o2)CCCSC1 258025316 573421217 /nfs/dbraw/zinc/42/12/17/573421217.db2.gz IHBNBPUNCCCPDF-MRVPVSSYSA-N 0 0 199.279 1.437 10 0 ADAERN C[C@@H](c1nccs1)n1nccc1N 83143570 573421234 /nfs/dbraw/zinc/42/12/34/573421234.db2.gz UOINSMPSTLXSPP-LURJTMIESA-N 0 0 194.263 1.531 10 0 ADAERN CC[C@@H]1CC[N@H+](CCC(=O)[O-])[C@@H]1C 308381240 573421242 /nfs/dbraw/zinc/42/12/42/573421242.db2.gz UUQCKCWVWYYNKB-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)(CO)c1cccc2c1CCO2 258024716 573421277 /nfs/dbraw/zinc/42/12/77/573421277.db2.gz INQCFUDMKXPZPK-UHFFFAOYSA-N 0 0 192.258 1.891 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H](C(=O)[O-])[NH2+]2)cc1 257810832 573421283 /nfs/dbraw/zinc/42/12/83/573421283.db2.gz ASTBQIWKVOJCEV-UWVGGRQHSA-N 0 0 191.230 1.483 10 0 ADAERN C[C@@H](C[C@H]1CNc2ccccc21)NO 238399428 573421286 /nfs/dbraw/zinc/42/12/86/573421286.db2.gz CRKSITCSMFVPGM-IUCAKERBSA-N 0 0 192.262 1.953 10 0 ADAERN Cc1c(C2CCCC2)[nH]oc1=O 107222449 573421296 /nfs/dbraw/zinc/42/12/96/573421296.db2.gz BVSGKQUWDKRXFE-UHFFFAOYSA-N 0 0 167.208 1.934 10 0 ADAERN OC1(Cc2cccc3c2OCO3)CC1 258024673 573421298 /nfs/dbraw/zinc/42/12/98/573421298.db2.gz IMICGSVUBOEOOW-UHFFFAOYSA-N 0 0 192.214 1.483 10 0 ADAERN COC[C@H]1C[C@H](C)CCC1=O 238385491 573421314 /nfs/dbraw/zinc/42/13/14/573421314.db2.gz AZUJHEDQYHYZFX-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN C[C@H]1CCc2oc(CN)nc2C1 107221836 573421316 /nfs/dbraw/zinc/42/13/16/573421316.db2.gz DIJTVBSRMSFZCD-LURJTMIESA-N 0 0 166.224 1.258 10 0 ADAERN CONCc1cc(C)c(OC)c(O)c1 258019185 573421391 /nfs/dbraw/zinc/42/13/91/573421391.db2.gz IBVFKBJMMQWYCY-UHFFFAOYSA-N 0 0 197.234 1.360 10 0 ADAERN CC(C)[C@H]([NH3+])c1cc(=O)o[n-]1 107220346 573422761 /nfs/dbraw/zinc/42/27/61/573422761.db2.gz OYZWEPVWJIZHJA-ZETCQYMHSA-N 0 0 156.185 1.036 10 0 ADAERN CCCCC(=O)N(C)C[C@H](C)CO 308381260 573422781 /nfs/dbraw/zinc/42/27/81/573422781.db2.gz UVPMGQJKIRJFFN-VIFPVBQESA-N 0 0 187.283 1.263 10 0 ADAERN C[C@H](O)c1cnc([C@@H]2CCSC2)o1 258026634 573422782 /nfs/dbraw/zinc/42/27/82/573422782.db2.gz JTTZVGJQEBTJCA-NKWVEPMBSA-N 0 0 199.275 1.948 10 0 ADAERN C[C@]1(c2nccs2)CC(=O)NC1=O 83142699 573422802 /nfs/dbraw/zinc/42/28/02/573422802.db2.gz HHESOUUYJKOFHF-QMMMGPOBSA-N 0 0 196.231 1.288 10 0 ADAERN CO[C@@H]1[C@@H](C)[C@H](C)NC(=O)C[C@H]1C 238390312 573422826 /nfs/dbraw/zinc/42/28/26/573422826.db2.gz XILVJVCXYBJUDV-VEVYYDQMSA-N 0 0 185.267 1.182 10 0 ADAERN COc1ccc(C(N)N)c(Cl)c1 259446010 573422195 /nfs/dbraw/zinc/42/21/95/573422195.db2.gz QFAXZCGZRWTWKQ-UHFFFAOYSA-N 0 0 186.642 1.265 10 0 ADAERN C[C@]1(c2nccs2)CC(=O)CCO1 83144319 573422210 /nfs/dbraw/zinc/42/22/10/573422210.db2.gz QREFPQTZVJJYBZ-SECBINFHSA-N 0 0 197.259 1.738 10 0 ADAERN Cc1cc2ccncc2c(=O)o1 118743721 573422218 /nfs/dbraw/zinc/42/22/18/573422218.db2.gz OFTDGMDKLKBEGR-UHFFFAOYSA-N 0 0 161.160 1.496 10 0 ADAERN C[C@@H](c1ccccc1F)N(C)C=O 83145004 573422219 /nfs/dbraw/zinc/42/22/19/573422219.db2.gz AKJLGMBSODFOAD-QMMMGPOBSA-N 0 0 181.210 1.975 10 0 ADAERN CCC(CC)[C@H](O)[C@@H]1C[C@H]1OC 689953018 573422251 /nfs/dbraw/zinc/42/22/51/573422251.db2.gz ILKKENDFEUYNQB-BBBLOLIVSA-N 0 0 172.268 1.818 10 0 ADAERN COc1ccc(-c2ncon2)cc1F 238391109 573422266 /nfs/dbraw/zinc/42/22/66/573422266.db2.gz IPRPRSUUENXKBF-UHFFFAOYSA-N 0 0 194.165 1.884 10 0 ADAERN C[NH2+]Cc1c(F)cccc1OC 83141656 573422269 /nfs/dbraw/zinc/42/22/69/573422269.db2.gz UCLABRYZIVPPNS-UHFFFAOYSA-N 0 0 169.199 1.554 10 0 ADAERN CCOCC(=O)C(F)(F)F 83138031 573422332 /nfs/dbraw/zinc/42/23/32/573422332.db2.gz KJGPCAPCAFIPAR-UHFFFAOYSA-N 0 0 156.103 1.154 10 0 ADAERN CONCCO[C@@H]1CCCC[C@H]1C 308381230 573422348 /nfs/dbraw/zinc/42/23/48/573422348.db2.gz UUDGJLPTNSVEMT-NXEZZACHSA-N 0 0 187.283 1.733 10 0 ADAERN OCc1c[nH]c(C2CCC2)n1 83136719 573422382 /nfs/dbraw/zinc/42/23/82/573422382.db2.gz ITMCKKFRRMVJTJ-UHFFFAOYSA-N 0 0 152.197 1.170 10 0 ADAERN C[C@@H]1C(=O)C[C@H]2CCC[C@@]12O 238391108 573422387 /nfs/dbraw/zinc/42/23/87/573422387.db2.gz FECXCLLOEGVXIU-ZXFLCMHBSA-N 0 0 154.209 1.127 10 0 ADAERN C[C@@H]1C(=O)C[C@H](CCO)C1(C)C 238391006 573422398 /nfs/dbraw/zinc/42/23/98/573422398.db2.gz QEHPLDCDBURQJK-SFYZADRCSA-N 0 0 170.252 1.620 10 0 ADAERN CC[N@@H+]1CCC[C@@H](n2cc([O-])cn2)C1 258019370 573422421 /nfs/dbraw/zinc/42/24/21/573422421.db2.gz RLTMHLOGFDLDDI-SECBINFHSA-N 0 0 195.266 1.246 10 0 ADAERN COC(=O)c1ccc(F)c2ccnn12 238390604 573422424 /nfs/dbraw/zinc/42/24/24/573422424.db2.gz PZZDZTHYYBCCNI-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN Nc1nc(C2CCC2)nc(C2CC2)n1 83137442 573422434 /nfs/dbraw/zinc/42/24/34/573422434.db2.gz LDAMOMGFTWHOBC-UHFFFAOYSA-N 0 0 190.250 1.599 10 0 ADAERN COC1=N[C@@H](C)[C@@H](c2ccccc2)N1 238390595 573422436 /nfs/dbraw/zinc/42/24/36/573422436.db2.gz ALBFYQHLMQRBIG-WPRPVWTQSA-N 0 0 190.246 1.722 10 0 ADAERN C[C@H]1C[C@@H](C)C(=O)[C@@H]1C 118698076 573422450 /nfs/dbraw/zinc/42/24/50/573422450.db2.gz SYGMBWDGTDMGPU-RRKCRQDMSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@@H](O)c1cnc([C@@H]2CCSC2)o1 258026637 573422469 /nfs/dbraw/zinc/42/24/69/573422469.db2.gz JTTZVGJQEBTJCA-RNFRBKRXSA-N 0 0 199.275 1.948 10 0 ADAERN Cc1ccc([C@H]2C[C@@H](C(=O)[O-])[NH2+]2)cc1 257810834 573422492 /nfs/dbraw/zinc/42/24/92/573422492.db2.gz ASTBQIWKVOJCEV-ZJUUUORDSA-N 0 0 191.230 1.483 10 0 ADAERN COc1cnc(C(C)=O)cc1C 238391617 573422497 /nfs/dbraw/zinc/42/24/97/573422497.db2.gz FVYPUPCATSARFX-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN CC[N@@H+]1CCC[C@@H](C(=O)[O-])[C@@H]1C 118712210 573422507 /nfs/dbraw/zinc/42/25/07/573422507.db2.gz MRIXDWVBFYAATA-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN COC(=O)c1ccc(F)c2cnoc12 238390684 573422834 /nfs/dbraw/zinc/42/28/34/573422834.db2.gz RZZYLQWUQIWEJK-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN CSC[C@H](CO)C1CCC1 258025822 573422512 /nfs/dbraw/zinc/42/25/12/573422512.db2.gz ANDGWGRPPHSLPT-QMMMGPOBSA-N 0 0 160.282 1.758 10 0 ADAERN CC(=O)c1nc(C)c2c(n1)COCC2 257810775 573422538 /nfs/dbraw/zinc/42/25/38/573422538.db2.gz APSZZAIPSCDFBK-UHFFFAOYSA-N 0 0 192.218 1.060 10 0 ADAERN C[C@H](c1ccc(F)cc1)N(C)C=O 83144944 573422539 /nfs/dbraw/zinc/42/25/39/573422539.db2.gz NSCUDTVVKWCMKT-MRVPVSSYSA-N 0 0 181.210 1.975 10 0 ADAERN CN(C=O)Cc1cccs1 83144971 573422546 /nfs/dbraw/zinc/42/25/46/573422546.db2.gz ICDGADUAOFTRHO-UHFFFAOYSA-N 0 0 155.222 1.336 10 0 ADAERN COc1cc(O)c(Cl)c(O)c1 238391645 573422844 /nfs/dbraw/zinc/42/28/44/573422844.db2.gz BJYDDRCDAFUVNY-UHFFFAOYSA-N 0 0 174.583 1.760 10 0 ADAERN Cc1cccc2c1[C@H](CCO)CN2C 258019454 573422595 /nfs/dbraw/zinc/42/25/95/573422595.db2.gz DAWGALVSFLORNU-SNVBAGLBSA-N 0 0 191.274 1.911 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N(C)C=O 83144996 573422599 /nfs/dbraw/zinc/42/25/99/573422599.db2.gz SCPLVKJYJFOEAF-BDAKNGLRSA-N 0 0 155.241 1.653 10 0 ADAERN Cc1nc(N)nc(C2CCC2)n1 83137418 573422603 /nfs/dbraw/zinc/42/26/03/573422603.db2.gz MCQYUMZEZXMMSS-UHFFFAOYSA-N 0 0 164.212 1.030 10 0 ADAERN C[C@H](O)Cc1ccc(O)c(F)c1F 258024619 573422613 /nfs/dbraw/zinc/42/26/13/573422613.db2.gz IKZAAMVMACZOFU-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN COC(=O)c1cc2c(C)coc2cn1 238390310 573422615 /nfs/dbraw/zinc/42/26/15/573422615.db2.gz ZIPYBCBKIVAJHM-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN OCCCc1ccc2cnncc2c1 258019179 573422637 /nfs/dbraw/zinc/42/26/37/573422637.db2.gz IBROTRYQHZGKPB-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN CC(C)c1nc(N)nc(C2CCC2)n1 83137439 573422641 /nfs/dbraw/zinc/42/26/41/573422641.db2.gz LYJYAGWGGQPPKR-UHFFFAOYSA-N 0 0 192.266 1.845 10 0 ADAERN C[C@H](O)C[C@H]1Cc2c(O)cccc2O1 258019424 573422645 /nfs/dbraw/zinc/42/26/45/573422645.db2.gz DATZJIOIBARHAQ-YUMQZZPRSA-N 0 0 194.230 1.467 10 0 ADAERN COC1=Nc2cccnc2NC1 238390703 573422654 /nfs/dbraw/zinc/42/26/54/573422654.db2.gz DVRSSFPMSIEJOG-UHFFFAOYSA-N 0 0 163.180 1.184 10 0 ADAERN CSc1nc(=S)n2nccc2[nH]1 238390380 573422664 /nfs/dbraw/zinc/42/26/64/573422664.db2.gz GNIBTWDHDGGCJP-UHFFFAOYSA-N 0 0 198.276 1.509 10 0 ADAERN C[C@@H](O)[C@H]1CN(C)c2cccc(O)c21 258024690 573422713 /nfs/dbraw/zinc/42/27/13/573422713.db2.gz JTDLKHPOPBAAGV-HTQZYQBOSA-N 0 0 193.246 1.306 10 0 ADAERN C[C@@H]1CN(C)c2cc(CCO)ccc21 258031623 573422739 /nfs/dbraw/zinc/42/27/39/573422739.db2.gz KCSCMQZATMQSDU-SECBINFHSA-N 0 0 191.274 1.775 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2c(O)cccc2O1 258019419 573422755 /nfs/dbraw/zinc/42/27/55/573422755.db2.gz DATZJIOIBARHAQ-SFYZADRCSA-N 0 0 194.230 1.467 10 0 ADAERN CC(C)=C1C(=N)NC(=O)[C@H]1C 238391491 573422873 /nfs/dbraw/zinc/42/28/73/573422873.db2.gz SSVNWGNACRZFAK-YFKPBYRVSA-N 0 0 152.197 1.066 10 0 ADAERN COC[C@@]1(O)CCc2cc(O)ccc21 257810778 573422885 /nfs/dbraw/zinc/42/28/85/573422885.db2.gz APUCQPDIICTYIE-NSHDSACASA-N 0 0 194.230 1.172 10 0 ADAERN COC(=O)C(F)(F)C(=O)C(C)C 257810925 573422889 /nfs/dbraw/zinc/42/28/89/573422889.db2.gz ASCQMBJRDHZTRI-UHFFFAOYSA-N 0 0 180.150 1.020 10 0 ADAERN C[C@H](O)Cc1cc2c(cc1F)OCO2 258024737 573422891 /nfs/dbraw/zinc/42/28/91/573422891.db2.gz INZCQONVBQLUMX-LURJTMIESA-N 0 0 198.193 1.478 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]1([NH3+])C(=O)[O-] 118707580 573422906 /nfs/dbraw/zinc/42/29/06/573422906.db2.gz QNFVJILUAHVTMA-BKPPORCPSA-N 0 0 171.240 1.225 10 0 ADAERN Cc1ccc([C@@H]2C[C@H](C(=O)[O-])[NH2+]2)cc1 257810833 573422943 /nfs/dbraw/zinc/42/29/43/573422943.db2.gz ASTBQIWKVOJCEV-VHSXEESVSA-N 0 0 191.230 1.483 10 0 ADAERN CCNc1cc(-c2nccs2)[nH]n1 83142933 573422955 /nfs/dbraw/zinc/42/29/55/573422955.db2.gz WOEWZBKVBNHAEP-UHFFFAOYSA-N 0 0 194.263 1.965 10 0 ADAERN C[S@@](=O)Cc1ccc(Cl)nc1 118829427 573425874 /nfs/dbraw/zinc/42/58/74/573425874.db2.gz JIVGWILMWGNFFE-NSHDSACASA-N 0 0 189.667 1.614 10 0 ADAERN CC(=O)Cc1nc(C2CCC2)no1 83136898 573423090 /nfs/dbraw/zinc/42/30/90/573423090.db2.gz CLJHELZRDDDRIA-UHFFFAOYSA-N 0 0 180.207 1.469 10 0 ADAERN CONCCO[C@H]1CCCC[C@@H]1C 308381231 573422998 /nfs/dbraw/zinc/42/29/98/573422998.db2.gz UUDGJLPTNSVEMT-UWVGGRQHSA-N 0 0 187.283 1.733 10 0 ADAERN C[C@H](F)COc1ncccc1N 118737024 573423008 /nfs/dbraw/zinc/42/30/08/573423008.db2.gz ZZUCBBLOWHUNCC-LURJTMIESA-N 0 0 170.187 1.401 10 0 ADAERN C[C@H](c1nccs1)n1nccc1N 83143573 573423015 /nfs/dbraw/zinc/42/30/15/573423015.db2.gz UOINSMPSTLXSPP-ZCFIWIBFSA-N 0 0 194.263 1.531 10 0 ADAERN Cn1ccc(C[C@@H]2CCCC[C@@H]2O)n1 124336540 573423021 /nfs/dbraw/zinc/42/30/21/573423021.db2.gz QTUNDPKUHYAQIH-ONGXEEELSA-N 0 0 194.278 1.514 10 0 ADAERN CS[C@]1(N)N=C(c2ccccc2)O1 238391738 573423092 /nfs/dbraw/zinc/42/30/92/573423092.db2.gz WANBYFYWSDVLBJ-SECBINFHSA-N 0 0 194.259 1.396 10 0 ADAERN COc1ccc2c(c1)O[C@H](C)C2=O 83137680 573423049 /nfs/dbraw/zinc/42/30/49/573423049.db2.gz JLUMBZHKKNHJDG-ZCFIWIBFSA-N 0 0 178.187 1.659 10 0 ADAERN Cc1cc(F)c(F)cc1CCON 258024721 573423071 /nfs/dbraw/zinc/42/30/71/573423071.db2.gz INSALCOBVBSFSB-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN CN(C(=O)C1CCCC1)C(C)(C)CO 133628252 573423072 /nfs/dbraw/zinc/42/30/72/573423072.db2.gz KRFZAJCKDRKNKE-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN CC[C@@H]1CCC[C@H](NC=O)C1 83146323 573433552 /nfs/dbraw/zinc/43/35/52/573433552.db2.gz KPLYEMJRXDOHSA-BDAKNGLRSA-N 0 0 155.241 1.701 10 0 ADAERN OCCn1c(Cl)cc2cccnc21 258028962 573426165 /nfs/dbraw/zinc/42/61/65/573426165.db2.gz CMXKFQUCSBGWBV-UHFFFAOYSA-N 0 0 196.637 1.682 10 0 ADAERN C[C@@H](O)CCc1cccc2c1CCN2 257811582 573426167 /nfs/dbraw/zinc/42/61/67/573426167.db2.gz BHEGHEUQGNWAPC-SECBINFHSA-N 0 0 191.274 1.968 10 0 ADAERN COCc1cccc(Cl)c1CO 258027620 573426172 /nfs/dbraw/zinc/42/61/72/573426172.db2.gz IRPYOSDAQZMSKI-UHFFFAOYSA-N 0 0 186.638 1.979 10 0 ADAERN Oc1cccc(C2(O)CCC2)c1 258028302 573426250 /nfs/dbraw/zinc/42/62/50/573426250.db2.gz NTHPBYWVERAULZ-UHFFFAOYSA-N 0 0 164.204 1.764 10 0 ADAERN CO[C@H](C(C)=O)c1ccco1 238391469 573426191 /nfs/dbraw/zinc/42/61/91/573426191.db2.gz JIHCOPIXECSXGC-MRVPVSSYSA-N 0 0 154.165 1.556 10 0 ADAERN C[C@@H](O)c1ccc(F)cc1C=O 258028776 573426196 /nfs/dbraw/zinc/42/61/96/573426196.db2.gz OXVTYHMIXBGGMJ-ZCFIWIBFSA-N 0 0 168.167 1.692 10 0 ADAERN C[C@@H](O)CCC(=O)NC[C@H](C)C1CC1 133795055 573426203 /nfs/dbraw/zinc/42/62/03/573426203.db2.gz QDGNBTDQUUJQSM-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN Cc1cccc(CCNC=O)c1 83145881 573426244 /nfs/dbraw/zinc/42/62/44/573426244.db2.gz OMYNEZPBVIQBNY-UHFFFAOYSA-N 0 0 163.220 1.284 10 0 ADAERN COc1nc(N)cc(C)c1C(F)F 238391719 573426102 /nfs/dbraw/zinc/42/61/02/573426102.db2.gz XGYYAKBZGHGKNK-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN O=Cc1ncc2ccc(F)cc2n1 257811477 573426105 /nfs/dbraw/zinc/42/61/05/573426105.db2.gz BDIAFXPTPFKXSE-UHFFFAOYSA-N 0 0 176.150 1.581 10 0 ADAERN COC(=O)c1ccc(F)c2oncc12 238390832 573426113 /nfs/dbraw/zinc/42/61/13/573426113.db2.gz WVVURTZVEVTBEC-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN CC(=O)C(=O)Oc1ccc(C)cc1 144109277 573426117 /nfs/dbraw/zinc/42/61/17/573426117.db2.gz WDKXIEOYEMVSJL-UHFFFAOYSA-N 0 0 178.187 1.489 10 0 ADAERN COC1=N[C@H](C)[C@H](c2ccccc2)N1 238390471 573426126 /nfs/dbraw/zinc/42/61/26/573426126.db2.gz ALBFYQHLMQRBIG-PSASIEDQSA-N 0 0 190.246 1.722 10 0 ADAERN CSc1ncc2nc(C)[nH]c2n1 238391656 573425399 /nfs/dbraw/zinc/42/53/99/573425399.db2.gz IECSIYHEINZKEW-UHFFFAOYSA-N 0 0 180.236 1.383 10 0 ADAERN Cn1nc(Cl)c2c1COC2 107221072 573425413 /nfs/dbraw/zinc/42/54/13/573425413.db2.gz OFVYZRBQMKMWAQ-UHFFFAOYSA-N 0 0 158.588 1.104 10 0 ADAERN C[C@H](O)CCNOC1CCCC1 133743098 573426259 /nfs/dbraw/zinc/42/62/59/573426259.db2.gz BNOYVEOCPQGLLU-QMMMGPOBSA-N 0 0 173.256 1.221 10 0 ADAERN C[C@H](O)[C@@H](C)c1nc(C2CCC2)no1 83137068 573425452 /nfs/dbraw/zinc/42/54/52/573425452.db2.gz IMOSDDFVYKGURS-RQJHMYQMSA-N 0 0 196.250 1.821 10 0 ADAERN CC(C)[C@@H]1CC[N@H+](C/C=C\C(=O)[O-])C1 308389590 573425458 /nfs/dbraw/zinc/42/54/58/573425458.db2.gz ZBSNMFXSCUHTNQ-UMBAGQNISA-N 0 0 197.278 1.605 10 0 ADAERN COc1cccc([C@H](C)[NH3+])c1C(=O)[O-] 238391760 573425475 /nfs/dbraw/zinc/42/54/75/573425475.db2.gz PYTFCNHAETVAEC-LURJTMIESA-N 0 0 195.218 1.413 10 0 ADAERN C[C@@H]1CCCC[C@H]1N(C)C=O 83144998 573425481 /nfs/dbraw/zinc/42/54/81/573425481.db2.gz SCPLVKJYJFOEAF-RKDXNWHRSA-N 0 0 155.241 1.653 10 0 ADAERN COC(=O)c1ccc(F)n2cncc12 238391389 573425494 /nfs/dbraw/zinc/42/54/94/573425494.db2.gz DFBLFGUQOUDHQH-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN CCc1cc2c(cc1CNO)OCO2 258027563 573425871 /nfs/dbraw/zinc/42/58/71/573425871.db2.gz IQXWHNZRWXWXRI-UHFFFAOYSA-N 0 0 195.218 1.457 10 0 ADAERN COc1cc2c(c(C=O)c1O)CCC2 238391229 573425509 /nfs/dbraw/zinc/42/55/09/573425509.db2.gz AKHAHXOUGLIMHB-UHFFFAOYSA-N 0 0 192.214 1.702 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2CCC[C@]21O 238390802 573425532 /nfs/dbraw/zinc/42/55/32/573425532.db2.gz FECXCLLOEGVXIU-BKPPORCPSA-N 0 0 154.209 1.127 10 0 ADAERN CC(C)[C@H](O)C(=O)c1cccs1 224116467 573425534 /nfs/dbraw/zinc/42/55/34/573425534.db2.gz KMMOGBPIKPMNPM-QMMMGPOBSA-N 0 0 184.260 1.948 10 0 ADAERN CC(=O)c1n[nH]c2c1CCSCC2 257811318 573425543 /nfs/dbraw/zinc/42/55/43/573425543.db2.gz BDRKGGUTCWCQNA-UHFFFAOYSA-N 0 0 196.275 1.444 10 0 ADAERN COc1cnc(C(C)C)c(O)c1 238391761 573425544 /nfs/dbraw/zinc/42/55/44/573425544.db2.gz UJLQMVGIKHTHIK-UHFFFAOYSA-N 0 0 167.208 1.919 10 0 ADAERN COc1cccc([C@H]2CC(N)=NO2)c1 257811523 573425552 /nfs/dbraw/zinc/42/55/52/573425552.db2.gz BEJUPAAYAIKEPA-SECBINFHSA-N 0 0 192.218 1.429 10 0 ADAERN Cc1c(F)ccc2c1NC(=O)C2 83141897 573425558 /nfs/dbraw/zinc/42/55/58/573425558.db2.gz QWOWZGYDLFVAHD-UHFFFAOYSA-N 0 0 165.167 1.629 10 0 ADAERN CC(C)c1nc(C=O)cc(=O)[nH]1 107221761 573425570 /nfs/dbraw/zinc/42/55/70/573425570.db2.gz ATIVHAHXGJOHFK-UHFFFAOYSA-N 0 0 166.180 1.118 10 0 ADAERN COc1cc(C)cc(C[C@@H](C)O)c1 258028692 573425576 /nfs/dbraw/zinc/42/55/76/573425576.db2.gz OWEHPZOYPHLJBC-SECBINFHSA-N 0 0 180.247 1.927 10 0 ADAERN Cc1ccsc1CN(C)C=O 83144979 573425600 /nfs/dbraw/zinc/42/56/00/573425600.db2.gz YGYZVFHFUPMRQX-UHFFFAOYSA-N 0 0 169.249 1.645 10 0 ADAERN CO[C@H](C(C)=O)c1ccnc(=S)[nH]1 238391480 573425610 /nfs/dbraw/zinc/42/56/10/573425610.db2.gz ACIDBJNSLKSCBT-SSDOTTSWSA-N 0 0 198.247 1.416 10 0 ADAERN Clc1n[nH]c2c1CSC2 107221192 573425615 /nfs/dbraw/zinc/42/56/15/573425615.db2.gz LLUJSZVQQRNIBV-UHFFFAOYSA-N 0 0 160.629 1.810 10 0 ADAERN Cn1ccc(C[C@H]2CCC[C@H]2O)n1 124332623 573425642 /nfs/dbraw/zinc/42/56/42/573425642.db2.gz WNUDNHXCGOZHBQ-PSASIEDQSA-N 0 0 180.251 1.124 10 0 ADAERN COc1cc(O)c(C)c(OC)c1O 238390216 573425663 /nfs/dbraw/zinc/42/56/63/573425663.db2.gz CQJUOYWSTXFIJI-UHFFFAOYSA-N 0 0 184.191 1.423 10 0 ADAERN NOC[C@@H]1CNc2cccc(Cl)c21 258026960 573425667 /nfs/dbraw/zinc/42/56/67/573425667.db2.gz JVKBAXOMLDIZGA-LURJTMIESA-N 0 0 198.653 1.739 10 0 ADAERN Cn1ccc(C[C@H]2CCCC[C@H]2O)n1 124337176 573425668 /nfs/dbraw/zinc/42/56/68/573425668.db2.gz QTUNDPKUHYAQIH-MWLCHTKSSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1nc(Cl)c2c1CCC2 107220573 573425670 /nfs/dbraw/zinc/42/56/70/573425670.db2.gz YGSAPJMUPPZYLD-UHFFFAOYSA-N 0 0 156.616 1.562 10 0 ADAERN COc1cc2c(c(CO)c1O)CCC2 238391245 573425678 /nfs/dbraw/zinc/42/56/78/573425678.db2.gz XRVAKXUONXROCI-UHFFFAOYSA-N 0 0 194.230 1.382 10 0 ADAERN COc1cc(O)c(C)nc1Cl 238390428 573425705 /nfs/dbraw/zinc/42/57/05/573425705.db2.gz OXVUOEVPFBNJSB-UHFFFAOYSA-N 0 0 173.599 1.758 10 0 ADAERN C[N@@H+]1CCC[C@@H](/C=C/C=C\C(=O)[O-])C1 258027461 573425717 /nfs/dbraw/zinc/42/57/17/573425717.db2.gz ILCTUMJKSDIGLH-GAHXLBORSA-N 0 0 195.262 1.525 10 0 ADAERN COc1ccc(-c2ncc[nH]2)nc1 238390776 573425727 /nfs/dbraw/zinc/42/57/27/573425727.db2.gz JHNBOLCCDIONQG-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN CC[C@@H](O)c1ccc(F)cc1N 258649939 573425736 /nfs/dbraw/zinc/42/57/36/573425736.db2.gz ZMJOGINOUKHTID-SECBINFHSA-N 0 0 169.199 1.851 10 0 ADAERN C[C@H](O)c1cnc(C2CCOCC2)o1 258029040 573425751 /nfs/dbraw/zinc/42/57/51/573425751.db2.gz JVHRYZJFFKVJKQ-ZETCQYMHSA-N 0 0 197.234 1.622 10 0 ADAERN OCc1nc(-c2nccs2)cs1 83142912 573425753 /nfs/dbraw/zinc/42/57/53/573425753.db2.gz NUSLIUZACKESBP-UHFFFAOYSA-N 0 0 198.272 1.759 10 0 ADAERN COc1cc(O)c(CO)cc1Cl 238391479 573425755 /nfs/dbraw/zinc/42/57/55/573425755.db2.gz MXURVMYZAOKBGS-UHFFFAOYSA-N 0 0 188.610 1.547 10 0 ADAERN COc1cnc(C(C)=O)cc1Cl 238391653 573425770 /nfs/dbraw/zinc/42/57/70/573425770.db2.gz NKZVPVGSDKCXKN-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN O=C1CNc2ccc(F)cc2O1 144177665 573425781 /nfs/dbraw/zinc/42/57/81/573425781.db2.gz MWAUEYOMOUNQCW-UHFFFAOYSA-N 0 0 167.139 1.157 10 0 ADAERN C[C@@H]1C(=O)Cc2ccncc21 238391252 573425789 /nfs/dbraw/zinc/42/57/89/573425789.db2.gz AHXRYILWDXEULT-LURJTMIESA-N 0 0 147.177 1.310 10 0 ADAERN COc1nc(N)c(C(F)F)cc1O 238390599 573425797 /nfs/dbraw/zinc/42/57/97/573425797.db2.gz OBJDMDRTRUJIBV-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CS[C@@]1(C)CCC(=O)CC1=O 238391010 573425810 /nfs/dbraw/zinc/42/58/10/573425810.db2.gz ZHZVTXMKXJBWGE-QMMMGPOBSA-N 0 0 172.249 1.430 10 0 ADAERN Cc1cc(N)cc(=O)n1C(C)(C)C 257811427 573425812 /nfs/dbraw/zinc/42/58/12/573425812.db2.gz BAVJQWCDQOHKPN-UHFFFAOYSA-N 0 0 180.251 1.494 10 0 ADAERN Oc1ccc(C[C@@H]2CCOC2)cc1 257811616 573425824 /nfs/dbraw/zinc/42/58/24/573425824.db2.gz BEKPRSWWBXLOEE-JTQLQIEISA-N 0 0 178.231 1.971 10 0 ADAERN CO[C@H](c1cccc(C)c1O)[C@H](C)O 238391377 573425834 /nfs/dbraw/zinc/42/58/34/573425834.db2.gz SEKSOMNHOGGGMJ-KWQFWETISA-N 0 0 196.246 1.769 10 0 ADAERN COc1nc(N)c(C(F)F)cc1F 238390517 573425839 /nfs/dbraw/zinc/42/58/39/573425839.db2.gz PJCHPYFTCFTSDB-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CC(C)=C1C(=S)NC(=O)[C@H]1C 238391720 573425845 /nfs/dbraw/zinc/42/58/45/573425845.db2.gz UTDPDBURISPFOY-YFKPBYRVSA-N 0 0 169.249 1.416 10 0 ADAERN O=C1CC=C[C@@H]2CCC[C@H]12 144145025 573425849 /nfs/dbraw/zinc/42/58/49/573425849.db2.gz GKZOTKZPPKIKKQ-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN CO[C@H](C(N)=O)[C@@H]1CCCC[C@@H]1C 238390839 573425858 /nfs/dbraw/zinc/42/58/58/573425858.db2.gz NSECUCFTVJSWPU-YIZRAAEISA-N 0 0 185.267 1.313 10 0 ADAERN COc1cc(O)c(Cl)nc1C 238391832 573425864 /nfs/dbraw/zinc/42/58/64/573425864.db2.gz FNYNFADJMPFHQS-UHFFFAOYSA-N 0 0 173.599 1.758 10 0 ADAERN COc1c(C)cc(C[C@@H](C)O)cc1O 258030198 573425879 /nfs/dbraw/zinc/42/58/79/573425879.db2.gz IWPSRQVXMPQQNJ-MRVPVSSYSA-N 0 0 196.246 1.633 10 0 ADAERN C=C1NC(=O)C=C1c1ccccc1F 144121057 573425888 /nfs/dbraw/zinc/42/58/88/573425888.db2.gz OZEXNEHMZURQQH-UHFFFAOYSA-N 0 0 189.189 1.853 10 0 ADAERN Nc1cccnc1O[C@H]1CCCOC1 118831185 573425906 /nfs/dbraw/zinc/42/59/06/573425906.db2.gz AMMHPHJOESJBAR-QMMMGPOBSA-N 0 0 194.234 1.222 10 0 ADAERN C[C@H](O)CCc1cccc2c1CCN2 257811583 573425930 /nfs/dbraw/zinc/42/59/30/573425930.db2.gz BHEGHEUQGNWAPC-VIFPVBQESA-N 0 0 191.274 1.968 10 0 ADAERN C/C=C\C(=O)N1C[C@H](CCC)CC1=O 308389742 573425952 /nfs/dbraw/zinc/42/59/52/573425952.db2.gz ZTVLFNNPOLMGLS-XTULLQBASA-N 0 0 195.262 1.738 10 0 ADAERN COCc1cc(Cl)ccc1CO 258030225 573425953 /nfs/dbraw/zinc/42/59/53/573425953.db2.gz IXBBHGFOXBTNQW-UHFFFAOYSA-N 0 0 186.638 1.979 10 0 ADAERN CCC[C@@H](O)CCc1ccn(C)n1 124335010 573425964 /nfs/dbraw/zinc/42/59/64/573425964.db2.gz STIYPIDNAFOKPJ-SNVBAGLBSA-N 0 0 182.267 1.514 10 0 ADAERN COCCCC[C@H]1CCCNC1=O 133774513 573425973 /nfs/dbraw/zinc/42/59/73/573425973.db2.gz OONVWDACAMOWKW-VIFPVBQESA-N 0 0 185.267 1.329 10 0 ADAERN C[C@@H](O)[C@H]1CN(C)c2cccc(F)c21 258029314 573425982 /nfs/dbraw/zinc/42/59/82/573425982.db2.gz KAIKYHSVNIQMNW-HTQZYQBOSA-N 0 0 195.237 1.740 10 0 ADAERN COc1nc(N)cc(C(F)F)c1N 238391604 573425987 /nfs/dbraw/zinc/42/59/87/573425987.db2.gz PRKIKWWYXFPCGO-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN COc1ccc(C[NH3+])c(F)c1[S-] 238391009 573425999 /nfs/dbraw/zinc/42/59/99/573425999.db2.gz RGNSADOVKRLUMU-UHFFFAOYSA-N 0 0 187.239 1.582 10 0 ADAERN CC[C@H](O)c1ccc(F)cc1N 258649945 573426006 /nfs/dbraw/zinc/42/60/06/573426006.db2.gz ZMJOGINOUKHTID-VIFPVBQESA-N 0 0 169.199 1.851 10 0 ADAERN COc1cc(O)c(C)nc1C 238390391 573426025 /nfs/dbraw/zinc/42/60/25/573426025.db2.gz PNHVUPCHOGKNIC-UHFFFAOYSA-N 0 0 153.181 1.413 10 0 ADAERN COc1cc2c(cn1)C(=O)CC2 144157844 573426032 /nfs/dbraw/zinc/42/60/32/573426032.db2.gz YCNMCSJRPPDTQC-UHFFFAOYSA-N 0 0 163.176 1.219 10 0 ADAERN C/C=C\C(=O)N1C[C@@H](CCC)CC1=O 308389741 573426033 /nfs/dbraw/zinc/42/60/33/573426033.db2.gz ZTVLFNNPOLMGLS-RNEXMXFGSA-N 0 0 195.262 1.738 10 0 ADAERN CC[C@H](O)c1cccnc1F 118834798 573426050 /nfs/dbraw/zinc/42/60/50/573426050.db2.gz OGZCIWSSUHWGIX-ZETCQYMHSA-N 0 0 155.172 1.664 10 0 ADAERN COCc1cccc(CNO)c1OC 258027571 573426058 /nfs/dbraw/zinc/42/60/58/573426058.db2.gz IRAKMZJQUOHPGO-UHFFFAOYSA-N 0 0 197.234 1.320 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C12CCCCC2 238391577 573426158 /nfs/dbraw/zinc/42/61/58/573426158.db2.gz ZXLGKYBLEVOCQN-SSDOTTSWSA-N 0 0 181.235 1.229 10 0 ADAERN CN(C=O)Cc1ccsc1 83145662 573426281 /nfs/dbraw/zinc/42/62/81/573426281.db2.gz HSGHMACTAHNDLR-UHFFFAOYSA-N 0 0 155.222 1.336 10 0 ADAERN Cc1c(CCO)cnn1C1CCC1 257811693 573428197 /nfs/dbraw/zinc/42/81/97/573428197.db2.gz BHKFULDRWAEXIE-UHFFFAOYSA-N 0 0 180.251 1.451 10 0 ADAERN C[C@@H](O)c1cncc([C@@H](C)O)c1 238392868 573428878 /nfs/dbraw/zinc/42/88/78/573428878.db2.gz TZHYMSJKWBMTHL-RNFRBKRXSA-N 0 0 167.208 1.188 10 0 ADAERN C[C@H](O)C(=O)CC[C@H]1CCCC1=O 137565009 573428880 /nfs/dbraw/zinc/42/88/80/573428880.db2.gz XOCHXLOTOZAOEW-JGVFFNPUSA-N 0 0 184.235 1.086 10 0 ADAERN O=CN1CC[C@@H](c2ccccc2)C1 83145868 573428908 /nfs/dbraw/zinc/42/89/08/573428908.db2.gz CXAGMEOCMLHUOP-LLVKDONJSA-N 0 0 175.231 1.632 10 0 ADAERN O=CNc1ccccc1N1CCCC1 83145203 573428917 /nfs/dbraw/zinc/42/89/17/573428917.db2.gz CVCSGZYBEUZYPP-UHFFFAOYSA-N 0 0 190.246 1.855 10 0 ADAERN C[C@@H]1C(=O)N[C@]1(C)c1ccccc1 238392395 573428920 /nfs/dbraw/zinc/42/89/20/573428920.db2.gz NLFFHJRRPJMKLH-KCJUWKMLSA-N 0 0 175.231 1.668 10 0 ADAERN CCCCN(C=O)C1CC1 83145068 573428924 /nfs/dbraw/zinc/42/89/24/573428924.db2.gz ICLDLBOFGVWDLU-UHFFFAOYSA-N 0 0 141.214 1.407 10 0 ADAERN C[C@@H](CO)c1cc(F)ccc1N(C)C 258027801 573428926 /nfs/dbraw/zinc/42/89/26/573428926.db2.gz IVGDZEOXEKCKLH-QMMMGPOBSA-N 0 0 197.253 1.988 10 0 ADAERN COc1c(Cl)ccc2c[nH+]cn12 238393168 573429156 /nfs/dbraw/zinc/42/91/56/573429156.db2.gz LYBUQCXUIDDFHM-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN COc1ccc(C)cc1[C@@H](C)NC=O 83145208 573428932 /nfs/dbraw/zinc/42/89/32/573428932.db2.gz BBAMGYLFKCWVBR-SECBINFHSA-N 0 0 193.246 1.811 10 0 ADAERN CC[C@@H](C)NCc1cnsn1 86454018 573428956 /nfs/dbraw/zinc/42/89/56/573428956.db2.gz RTDAUGDKFCIJFW-ZCFIWIBFSA-N 0 0 171.269 1.426 10 0 ADAERN Cc1ccc(CC2(O)CC2)cc1O 258028590 573428957 /nfs/dbraw/zinc/42/89/57/573428957.db2.gz OUQBFNFESLPRBX-UHFFFAOYSA-N 0 0 178.231 1.768 10 0 ADAERN O=CNc1cccc(-n2ccnc2)c1 83145184 573428965 /nfs/dbraw/zinc/42/89/65/573428965.db2.gz IQTPBVNEBMLHJP-UHFFFAOYSA-N 0 0 187.202 1.441 10 0 ADAERN CC(C)[C@H]1CC(=O)N(C(C)(C)C)N1 257811649 573427869 /nfs/dbraw/zinc/42/78/69/573427869.db2.gz BGJBWXWKWIGELC-MRVPVSSYSA-N 0 0 184.283 1.546 10 0 ADAERN CO[C@](C)(CCO)C1CCCC1 257811486 573427897 /nfs/dbraw/zinc/42/78/97/573427897.db2.gz BDMVTRPYOGYJNC-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN O=Cc1nn(C2CC2)c2c1COCC2 257811581 573427904 /nfs/dbraw/zinc/42/79/04/573427904.db2.gz BHDVMLKKIKFGGD-UHFFFAOYSA-N 0 0 192.218 1.103 10 0 ADAERN CO[C@@H]1C(=O)Nc2ccc(C)cc21 238392819 573427905 /nfs/dbraw/zinc/42/79/05/573427905.db2.gz IVRCJPPARSOSAT-VIFPVBQESA-N 0 0 177.203 1.635 10 0 ADAERN CC(=O)c1nc([C@@H]2CCCCN2)no1 258028260 573427906 /nfs/dbraw/zinc/42/79/06/573427906.db2.gz NSIAOYINJMJVKH-ZETCQYMHSA-N 0 0 195.222 1.087 10 0 ADAERN Oc1ccc(C[C@H]2CCOC2)cc1 257811617 573427911 /nfs/dbraw/zinc/42/79/11/573427911.db2.gz BEKPRSWWBXLOEE-SNVBAGLBSA-N 0 0 178.231 1.971 10 0 ADAERN CCCC[C@H](O)C[C@H]1CO1 144178367 573429162 /nfs/dbraw/zinc/42/91/62/573429162.db2.gz JISYMTJTBAUROR-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN COC[C@H](O)c1cc(C)co1 715805306 573427954 /nfs/dbraw/zinc/42/79/54/573427954.db2.gz AXXFKSQKNLYDDE-ZETCQYMHSA-N 0 0 156.181 1.268 10 0 ADAERN C[C@]1(CF)CC(=S)NCCS1 144125428 573427961 /nfs/dbraw/zinc/42/79/61/573427961.db2.gz YOQWGKHLBUTMGY-SSDOTTSWSA-N 0 0 193.312 1.769 10 0 ADAERN CC(=O)Nc1cccc(NC=O)c1 83145678 573427965 /nfs/dbraw/zinc/42/79/65/573427965.db2.gz QWCDBPORYWEZIB-UHFFFAOYSA-N 0 0 178.191 1.213 10 0 ADAERN Nc1cccc([C@H]2NCCCC2=O)c1 257811325 573427970 /nfs/dbraw/zinc/42/79/70/573427970.db2.gz BDZSUKCFWNWLIM-LLVKDONJSA-N 0 0 190.246 1.262 10 0 ADAERN C[C@H](Cc1c(F)cccc1F)NC=O 83145549 573427972 /nfs/dbraw/zinc/42/79/72/573427972.db2.gz GUSZLVBOJUTVCU-SSDOTTSWSA-N 0 0 199.200 1.642 10 0 ADAERN COc1ccc(C)cc1[C@H](C)NC=O 83145209 573427985 /nfs/dbraw/zinc/42/79/85/573427985.db2.gz BBAMGYLFKCWVBR-VIFPVBQESA-N 0 0 193.246 1.811 10 0 ADAERN C[C@@H](CC(C)(C)C)[C@H](O)CO 238393148 573428006 /nfs/dbraw/zinc/42/80/06/573428006.db2.gz TWUHFMINHTXLEF-JGVFFNPUSA-N 0 0 160.257 1.412 10 0 ADAERN O=CNc1ccc(N2CCCC2)cc1 83145331 573428007 /nfs/dbraw/zinc/42/80/07/573428007.db2.gz ZZHJJBFTVGQKNV-UHFFFAOYSA-N 0 0 190.246 1.855 10 0 ADAERN C[C@](O)(CO)CCc1ccccc1O 257811577 573428011 /nfs/dbraw/zinc/42/80/11/573428011.db2.gz BHALDNNFXQTLDV-LLVKDONJSA-N 0 0 196.246 1.068 10 0 ADAERN COC(=O)/C=C1\CC[C@H](C)OC1 401881234 573428020 /nfs/dbraw/zinc/42/80/20/573428020.db2.gz NZPRHWSUANWTPO-QAZRXNLGSA-N 0 0 170.208 1.285 10 0 ADAERN COCCCOC(=O)C[C@@H]1C[C@@H]1C 308389328 573428026 /nfs/dbraw/zinc/42/80/26/573428026.db2.gz YVIRZLSTEJTILO-IUCAKERBSA-N 0 0 186.251 1.612 10 0 ADAERN CCOCc1cn(C)c(C)n1 258028999 573428032 /nfs/dbraw/zinc/42/80/32/573428032.db2.gz DOYZFQOZIXPDKH-UHFFFAOYSA-N 0 0 154.213 1.265 10 0 ADAERN C[C@H](NC=O)c1cccc(O)c1 83145455 573428035 /nfs/dbraw/zinc/42/80/35/573428035.db2.gz XXSPSUJJGGDYOK-ZETCQYMHSA-N 0 0 165.192 1.199 10 0 ADAERN OCCCCC1(O)CCC1 258028687 573428047 /nfs/dbraw/zinc/42/80/47/573428047.db2.gz QIHDAQIJANUPLM-UHFFFAOYSA-N 0 0 144.214 1.064 10 0 ADAERN CC(=O)CC(=O)N[C@H](C)CC(F)F 308389091 573428048 /nfs/dbraw/zinc/42/80/48/573428048.db2.gz WYYKUPKRNFIZRU-RXMQYKEDSA-N 0 0 193.193 1.125 10 0 ADAERN Cc1nc2cc(NC=O)ccc2o1 83145734 573428050 /nfs/dbraw/zinc/42/80/50/573428050.db2.gz MVINUWIHOGUFEZ-UHFFFAOYSA-N 0 0 176.175 1.705 10 0 ADAERN O=CN[C@H]1CCSc2ccccc21 83145414 573428056 /nfs/dbraw/zinc/42/80/56/573428056.db2.gz ZBINVAZIGDHDPK-VIFPVBQESA-N 0 0 193.271 1.970 10 0 ADAERN Cc1cc(F)ccc1NC=O 83145701 573428064 /nfs/dbraw/zinc/42/80/64/573428064.db2.gz OECWLARPMKHSAK-UHFFFAOYSA-N 0 0 153.156 1.702 10 0 ADAERN CC(C)N(C=O)CC(F)(F)F 83145381 573428069 /nfs/dbraw/zinc/42/80/69/573428069.db2.gz OUINHKJRGYLQBY-UHFFFAOYSA-N 0 0 169.146 1.416 10 0 ADAERN O=CNc1cccc(N2CCCC2)c1 83145546 573428075 /nfs/dbraw/zinc/42/80/75/573428075.db2.gz VIZOQQRFXWZNFN-UHFFFAOYSA-N 0 0 190.246 1.855 10 0 ADAERN CCc1cc(CCON)ccc1F 258027618 573428077 /nfs/dbraw/zinc/42/80/77/573428077.db2.gz IRMKZLCTBCEZID-UHFFFAOYSA-N 0 0 183.226 1.821 10 0 ADAERN C[C@H](O)[C@@H](O)C1CCCCCC1 235598199 573428095 /nfs/dbraw/zinc/42/80/95/573428095.db2.gz JLZCQYXVEVQMHD-WCBMZHEXSA-N 0 0 172.268 1.699 10 0 ADAERN COc1ccc([C@@H](C)NC=O)cc1F 83145304 573428098 /nfs/dbraw/zinc/42/80/98/573428098.db2.gz LOMCMANTVYXEGL-SSDOTTSWSA-N 0 0 197.209 1.641 10 0 ADAERN C[C@H]1[C@H](C)CCCN1C=O 83145877 573428104 /nfs/dbraw/zinc/42/81/04/573428104.db2.gz XXVHFVWNBKDICS-SFYZADRCSA-N 0 0 141.214 1.263 10 0 ADAERN COCCCOC(=O)C[C@@H]1C[C@H]1C 308389326 573428110 /nfs/dbraw/zinc/42/81/10/573428110.db2.gz YVIRZLSTEJTILO-BDAKNGLRSA-N 0 0 186.251 1.612 10 0 ADAERN C[C@@H](NC=O)c1ccc(F)cc1F 83145193 573428111 /nfs/dbraw/zinc/42/81/11/573428111.db2.gz SPKBVKAURKYAKG-ZCFIWIBFSA-N 0 0 185.173 1.772 10 0 ADAERN CC(C)CC[C@@H](C)NC=O 83145810 573428126 /nfs/dbraw/zinc/42/81/26/573428126.db2.gz CPXDHJLSZICHOQ-MRVPVSSYSA-N 0 0 143.230 1.557 10 0 ADAERN COC[C@]12CCC[C@H]1C(=O)C2 238393417 573428985 /nfs/dbraw/zinc/42/89/85/573428985.db2.gz QUFVXXFBQLBVHQ-IONNQARKSA-N 0 0 154.209 1.392 10 0 ADAERN Cc1ccc([C@H](C)NC=O)o1 83145207 573428132 /nfs/dbraw/zinc/42/81/32/573428132.db2.gz BITLBYPPAASAFY-ZETCQYMHSA-N 0 0 153.181 1.395 10 0 ADAERN C[C@H](O)[C@@H](O)CCC(C)(C)C 235598393 573428133 /nfs/dbraw/zinc/42/81/33/573428133.db2.gz GFJFDQPOOQUTEY-YUMQZZPRSA-N 0 0 160.257 1.554 10 0 ADAERN Cc1nc([C@@H](C)O)sc1CCO 238393360 573428135 /nfs/dbraw/zinc/42/81/35/573428135.db2.gz RIVLVDKJAFKZOF-ZCFIWIBFSA-N 0 0 187.264 1.040 10 0 ADAERN C[C@H](CNC(=O)CC[C@@H](C)O)C1CC1 133794660 573428136 /nfs/dbraw/zinc/42/81/36/573428136.db2.gz QDGNBTDQUUJQSM-RKDXNWHRSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@H]1CNc2cc(CON)ccc21 258026922 573428141 /nfs/dbraw/zinc/42/81/41/573428141.db2.gz JUPMCNOHHSAQJN-ZETCQYMHSA-N 0 0 178.235 1.606 10 0 ADAERN COC[C@@H]1CCc2cccc(O)c2N1 257811563 573428146 /nfs/dbraw/zinc/42/81/46/573428146.db2.gz BGFIZRKSTONXQB-VIFPVBQESA-N 0 0 193.246 1.765 10 0 ADAERN C[C@@H]1SCc2c1nc[nH]c2=O 107223453 573428155 /nfs/dbraw/zinc/42/81/55/573428155.db2.gz VRKTZNMKCWPGPI-BYPYZUCNSA-N 0 0 168.221 1.490 10 0 ADAERN CCCC[C@@H](CC)[C@@H]1CNC(=O)N1 238209041 573428163 /nfs/dbraw/zinc/42/81/63/573428163.db2.gz YJFKUNADEJXURT-BDAKNGLRSA-N 0 0 184.283 1.884 10 0 ADAERN O=CN1CCC[C@@H]2CCCC[C@H]21 83145839 573428164 /nfs/dbraw/zinc/42/81/64/573428164.db2.gz GEKISUNTQZGQPY-VHSXEESVSA-N 0 0 167.252 1.797 10 0 ADAERN Cc1c([C@H](C)O)cncc1[C@@H](C)O 238392919 573428169 /nfs/dbraw/zinc/42/81/69/573428169.db2.gz DVAGABDUDVZNIQ-OCAPTIKFSA-N 0 0 181.235 1.497 10 0 ADAERN OCCc1cc2c(cc1O)CCC2 258028607 573428185 /nfs/dbraw/zinc/42/81/85/573428185.db2.gz OUWVYGGSGWSJNA-UHFFFAOYSA-N 0 0 178.231 1.416 10 0 ADAERN O=CNc1ccc2nccnc2c1 83145541 573428191 /nfs/dbraw/zinc/42/81/91/573428191.db2.gz GWCCAJSYTRHAOO-UHFFFAOYSA-N 0 0 173.175 1.198 10 0 ADAERN C[C@H](c1ccncc1)N(C)C=O 83145586 573428227 /nfs/dbraw/zinc/42/82/27/573428227.db2.gz LOIPEWUSCARWKI-MRVPVSSYSA-N 0 0 164.208 1.231 10 0 ADAERN C[C@@H](c1ccncc1)N(C)C=O 83145585 573429165 /nfs/dbraw/zinc/42/91/65/573429165.db2.gz LOIPEWUSCARWKI-QMMMGPOBSA-N 0 0 164.208 1.231 10 0 ADAERN C=C1NC(=O)C=C1c1cccc(F)c1 144121249 573428277 /nfs/dbraw/zinc/42/82/77/573428277.db2.gz LMBBIXUYIVOAMO-UHFFFAOYSA-N 0 0 189.189 1.853 10 0 ADAERN CN[C@@H](Cc1ccoc1)C(F)(F)F 133742838 573429166 /nfs/dbraw/zinc/42/91/66/573429166.db2.gz VWLFBMJDCPFQIM-ZETCQYMHSA-N 0 0 193.168 1.972 10 0 ADAERN C[C@@H]1CNC(=O)C(C)(C)C1 238393505 573429167 /nfs/dbraw/zinc/42/91/67/573429167.db2.gz ATNRHMQSVZYPEQ-LURJTMIESA-N 0 0 141.214 1.169 10 0 ADAERN COC(=O)[C@@]1(C)CC[C@H]1C(C)=O 238392493 573428291 /nfs/dbraw/zinc/42/82/91/573428291.db2.gz QGRSPILIHLWAOC-CBAPKCEASA-N 0 0 170.208 1.165 10 0 ADAERN CCCCCC[C@@H](O)N1CCCC1=O 238210566 573428293 /nfs/dbraw/zinc/42/82/93/573428293.db2.gz IJJHNJWLTPQANE-SNVBAGLBSA-N 0 0 199.294 1.898 10 0 ADAERN Cn1ccnc1CC1(CO)CCC1 689847561 573428295 /nfs/dbraw/zinc/42/82/95/573428295.db2.gz WBSNXBUDFNEUTP-UHFFFAOYSA-N 0 0 180.251 1.125 10 0 ADAERN CC(C)c1cc(Cl)c(=O)[nH]n1 259448049 573428298 /nfs/dbraw/zinc/42/82/98/573428298.db2.gz MHPIKTOFTJVXGR-UHFFFAOYSA-N 0 0 172.615 1.959 10 0 ADAERN COC(=O)c1ccc(F)c(NC=O)c1 83145798 573428314 /nfs/dbraw/zinc/42/83/14/573428314.db2.gz QAQCYLHXZGLOGQ-UHFFFAOYSA-N 0 0 197.165 1.181 10 0 ADAERN C[C@H](NC=O)c1c(F)cccc1F 83145537 573429145 /nfs/dbraw/zinc/42/91/45/573429145.db2.gz AYGDFTIGECSHPT-LURJTMIESA-N 0 0 185.173 1.772 10 0 ADAERN CC(=O)Cc1ccc(O)c(F)c1F 258027567 573428316 /nfs/dbraw/zinc/42/83/16/573428316.db2.gz IRAIBJSWEOSOPM-UHFFFAOYSA-N 0 0 186.157 1.802 10 0 ADAERN CC[C@@H]1CCCC[C@H]1NC=O 83145134 573428320 /nfs/dbraw/zinc/42/83/20/573428320.db2.gz VMEDJICJWKKBOM-RKDXNWHRSA-N 0 0 155.241 1.701 10 0 ADAERN COc1cc(C)cc(C[C@H](C)O)c1 258028695 573428324 /nfs/dbraw/zinc/42/83/24/573428324.db2.gz OWEHPZOYPHLJBC-VIFPVBQESA-N 0 0 180.247 1.927 10 0 ADAERN COc1ccc(F)cc1[C@@H](C)NC=O 83145316 573428331 /nfs/dbraw/zinc/42/83/31/573428331.db2.gz JSBUYAMFJFMMQI-SSDOTTSWSA-N 0 0 197.209 1.641 10 0 ADAERN C[C@H](O)c1ccc(F)c2c1OCO2 258030219 573428334 /nfs/dbraw/zinc/42/83/34/573428334.db2.gz IWWJRWPUTRQGGJ-YFKPBYRVSA-N 0 0 184.166 1.608 10 0 ADAERN C[C@H]1CCCC[C@H]1NC=O 83145696 573428338 /nfs/dbraw/zinc/42/83/38/573428338.db2.gz JPWUPDJHQMMJAT-JGVFFNPUSA-N 0 0 141.214 1.311 10 0 ADAERN COc1cccc2c1C[C@H]([C@@H](C)O)O2 258028970 573428344 /nfs/dbraw/zinc/42/83/44/573428344.db2.gz DOHWUBPOBUTCOF-RDDDGLTNSA-N 0 0 194.230 1.380 10 0 ADAERN CSc1ncnc2c1N[C@@H](C)N2 238392689 573428368 /nfs/dbraw/zinc/42/83/68/573428368.db2.gz YEFGYGIYTWZVFE-SCSAIBSYSA-N 0 0 182.252 1.382 10 0 ADAERN CC[C@H](C)CNC(=O)C(C)C 78317719 573428371 /nfs/dbraw/zinc/42/83/71/573428371.db2.gz RBJFZDGVYQZYTD-QMMMGPOBSA-N 0 0 157.257 1.805 10 0 ADAERN C=Cn1cccc1[C@@H](C)O 238392081 573428374 /nfs/dbraw/zinc/42/83/74/573428374.db2.gz CISZBJJGIOTCFP-SSDOTTSWSA-N 0 0 137.182 1.642 10 0 ADAERN CCOCc1ccccc1NC=O 83145468 573428375 /nfs/dbraw/zinc/42/83/75/573428375.db2.gz QINKHXGAYLRICF-UHFFFAOYSA-N 0 0 179.219 1.791 10 0 ADAERN Cc1ccc([C@@H](C)NC=O)o1 83145206 573428382 /nfs/dbraw/zinc/42/83/82/573428382.db2.gz BITLBYPPAASAFY-SSDOTTSWSA-N 0 0 153.181 1.395 10 0 ADAERN CCCC[C@H](O)C[C@@H]1CO1 144177946 573428389 /nfs/dbraw/zinc/42/83/89/573428389.db2.gz JISYMTJTBAUROR-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@@H]1c1cccnc1 259611446 573428394 /nfs/dbraw/zinc/42/83/94/573428394.db2.gz MUOZIKSBRBGZGP-FXBDTBDDSA-N 0 0 191.230 1.604 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])C1(C)CCC1 686131388 573428395 /nfs/dbraw/zinc/42/83/95/573428395.db2.gz RCTWDKOYIFAXQY-ZETCQYMHSA-N 0 0 171.240 1.239 10 0 ADAERN COC[C@@H]1CCOc2cccc(N)c21 257811547 573428402 /nfs/dbraw/zinc/42/84/02/573428402.db2.gz BFOJLKUGVFKPLL-QMMMGPOBSA-N 0 0 193.246 1.781 10 0 ADAERN C[C@H](O)c1ccc(F)cc1CO 144110262 573428413 /nfs/dbraw/zinc/42/84/13/573428413.db2.gz QOAFLEFMDRYUOQ-LURJTMIESA-N 0 0 170.183 1.371 10 0 ADAERN O=CNCCC1CCCCC1 83145865 573428434 /nfs/dbraw/zinc/42/84/34/573428434.db2.gz GXDRPAJPDNRQQW-UHFFFAOYSA-N 0 0 155.241 1.703 10 0 ADAERN C[C@H]1CCCN(C=O)[C@H]1C 83145878 573428446 /nfs/dbraw/zinc/42/84/46/573428446.db2.gz XXVHFVWNBKDICS-YUMQZZPRSA-N 0 0 141.214 1.263 10 0 ADAERN COc1cc(=O)c(O)c(C(F)F)[nH]1 238392520 573428452 /nfs/dbraw/zinc/42/84/52/573428452.db2.gz FSEMCDAEMDNMSF-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN COc1cc(=O)c(N)c(C(F)F)[nH]1 238392170 573428463 /nfs/dbraw/zinc/42/84/63/573428463.db2.gz GFEHCYJMGXRGFW-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN Cc1cc(O)cc2cc(C=O)[nH]c12 257811620 573428469 /nfs/dbraw/zinc/42/84/69/573428469.db2.gz BEQXCSZWSHRRDW-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN CSc1ncnc2c1N[C@H](C)N2 238392674 573428477 /nfs/dbraw/zinc/42/84/77/573428477.db2.gz YEFGYGIYTWZVFE-BYPYZUCNSA-N 0 0 182.252 1.382 10 0 ADAERN CC(C)n1ncc(CCO)c1Cl 258028543 573428479 /nfs/dbraw/zinc/42/84/79/573428479.db2.gz QGSFNHKEDMIXCT-UHFFFAOYSA-N 0 0 188.658 1.652 10 0 ADAERN COc1cc2c(cc1C)C(=O)NC2 238393235 573428482 /nfs/dbraw/zinc/42/84/82/573428482.db2.gz UCUNWGGZIPKVSB-UHFFFAOYSA-N 0 0 177.203 1.247 10 0 ADAERN C[C@H]1CCCN(C=O)[C@@H]1C 83145876 573428507 /nfs/dbraw/zinc/42/85/07/573428507.db2.gz XXVHFVWNBKDICS-JGVFFNPUSA-N 0 0 141.214 1.263 10 0 ADAERN CN(C=O)Cc1cccc(F)c1 83145655 573428533 /nfs/dbraw/zinc/42/85/33/573428533.db2.gz DOUNKZBBTREHSO-UHFFFAOYSA-N 0 0 167.183 1.414 10 0 ADAERN C[C@@H](NC=O)c1ccc(F)c(F)c1 83145195 573428543 /nfs/dbraw/zinc/42/85/43/573428543.db2.gz KYCDLZNYJRFJIN-ZCFIWIBFSA-N 0 0 185.173 1.772 10 0 ADAERN C[C@@H](O)Cc1ccccc1CCCO 259448045 573428544 /nfs/dbraw/zinc/42/85/44/573428544.db2.gz MHPDGXCBSQDQEX-SNVBAGLBSA-N 0 0 194.274 1.535 10 0 ADAERN O=CN[C@@H]1CCCc2occc21 83145100 573428548 /nfs/dbraw/zinc/42/85/48/573428548.db2.gz YIXJOFDVXRPYKO-MRVPVSSYSA-N 0 0 165.192 1.403 10 0 ADAERN NC(=O)c1cc(NC=O)ccc1Cl 83145145 573428554 /nfs/dbraw/zinc/42/85/54/573428554.db2.gz BTKKERGOJKDWBY-UHFFFAOYSA-N 0 0 198.609 1.007 10 0 ADAERN CCCC1([C@H]2NC(=O)NC2=O)CCC1 686131230 573428555 /nfs/dbraw/zinc/42/85/55/573428555.db2.gz DNZYGTSPOXLWFF-ZETCQYMHSA-N 0 0 196.250 1.165 10 0 ADAERN COc1cccc2[nH]cc(CON)c12 258028992 573428557 /nfs/dbraw/zinc/42/85/57/573428557.db2.gz DOWXIMAYMZUOBY-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN CN(C)c1nc(Cl)nc2ccoc12 144110370 573428561 /nfs/dbraw/zinc/42/85/61/573428561.db2.gz XLQLVONFQJCSAL-UHFFFAOYSA-N 0 0 197.625 1.942 10 0 ADAERN C[C@@H](NC=O)c1ccsc1 83145914 573428562 /nfs/dbraw/zinc/42/85/62/573428562.db2.gz KBVAYRYQCOLPOB-ZCFIWIBFSA-N 0 0 155.222 1.555 10 0 ADAERN O=CN[C@H]1CCCC[C@@H]1C(F)(F)F 83145324 573428577 /nfs/dbraw/zinc/42/85/77/573428577.db2.gz CIXDXUGIXRYISA-BQBZGAKWSA-N 0 0 195.184 1.854 10 0 ADAERN C[C@H](Cc1cccs1)NC=O 83145277 573428583 /nfs/dbraw/zinc/42/85/83/573428583.db2.gz FKSCBFPNKYEBRC-SSDOTTSWSA-N 0 0 169.249 1.425 10 0 ADAERN Cn1c(Br)c[nH]c1=S 258028988 573428589 /nfs/dbraw/zinc/42/85/89/573428589.db2.gz DOWSYANFCULYIO-UHFFFAOYSA-N 0 0 193.069 1.471 10 0 ADAERN O=CN[C@H]1CCC[C@@H](C(F)(F)F)C1 83145449 573428597 /nfs/dbraw/zinc/42/85/97/573428597.db2.gz ZXFRBPWXXKBRQB-RQJHMYQMSA-N 0 0 195.184 1.854 10 0 ADAERN Cc1c(Cl)ccc(C(N)=O)c1N 144176492 573428599 /nfs/dbraw/zinc/42/85/99/573428599.db2.gz OYWVJWDGBABBIR-UHFFFAOYSA-N 0 0 184.626 1.330 10 0 ADAERN COCCN(C=O)Cc1ccccc1 83145623 573428603 /nfs/dbraw/zinc/42/86/03/573428603.db2.gz RLXMQEOXINYGML-UHFFFAOYSA-N 0 0 193.246 1.291 10 0 ADAERN CCn1nc(C(C)C)c(CO)c1OC 258027875 573428605 /nfs/dbraw/zinc/42/86/05/573428605.db2.gz SAYRBWXAQMWQOQ-UHFFFAOYSA-N 0 0 198.266 1.527 10 0 ADAERN CC1(C)CC2(CC2)NC1=O 258650072 573428607 /nfs/dbraw/zinc/42/86/07/573428607.db2.gz ZMXRITZFDDMHDZ-UHFFFAOYSA-N 0 0 139.198 1.065 10 0 ADAERN O=CNc1ccc2n[nH]cc2c1 83145265 573428643 /nfs/dbraw/zinc/42/86/43/573428643.db2.gz RMOINEZFVSILBF-UHFFFAOYSA-N 0 0 161.164 1.131 10 0 ADAERN COc1cccc(C[C@@H]2CO2)c1O 238393381 573428645 /nfs/dbraw/zinc/42/86/45/573428645.db2.gz CIVSLDZPWZLFGE-MRVPVSSYSA-N 0 0 180.203 1.342 10 0 ADAERN COCCCOC(=O)C[C@H]1C[C@H]1C 308389329 573428647 /nfs/dbraw/zinc/42/86/47/573428647.db2.gz YVIRZLSTEJTILO-RKDXNWHRSA-N 0 0 186.251 1.612 10 0 ADAERN COc1c(C)ccc(NC=O)c1C 83145406 573428661 /nfs/dbraw/zinc/42/86/61/573428661.db2.gz PPOSMAJSRWUPQI-UHFFFAOYSA-N 0 0 179.219 1.880 10 0 ADAERN Nc1cccnc1O[C@@H]1CCCOC1 118831183 573428664 /nfs/dbraw/zinc/42/86/64/573428664.db2.gz AMMHPHJOESJBAR-MRVPVSSYSA-N 0 0 194.234 1.222 10 0 ADAERN CC[C@H]1C(=O)CCCN1C1CC1 107223119 573428670 /nfs/dbraw/zinc/42/86/70/573428670.db2.gz FLNYFODCJORNKA-VIFPVBQESA-N 0 0 167.252 1.592 10 0 ADAERN O=CNCCc1cccc(F)c1 83145747 573428674 /nfs/dbraw/zinc/42/86/74/573428674.db2.gz XOHDVTGHDCBKHP-UHFFFAOYSA-N 0 0 167.183 1.114 10 0 ADAERN C[C@@H]1CCCC[C@@H]1NC=O 83145693 573429182 /nfs/dbraw/zinc/42/91/82/573429182.db2.gz JPWUPDJHQMMJAT-SFYZADRCSA-N 0 0 141.214 1.311 10 0 ADAERN NOCCc1cc2c(cc1O)CCC2 258030202 573428702 /nfs/dbraw/zinc/42/87/02/573428702.db2.gz IWQIJJDCWXYPLX-UHFFFAOYSA-N 0 0 193.246 1.314 10 0 ADAERN Cc1ccccc1C[C@H](C)NC=O 83145554 573428712 /nfs/dbraw/zinc/42/87/12/573428712.db2.gz VZESAHDQZGOLJK-JTQLQIEISA-N 0 0 177.247 1.672 10 0 ADAERN CN(C)c1c(Cl)cccc1NC=O 83145410 573428734 /nfs/dbraw/zinc/42/87/34/573428734.db2.gz QDOLATRDVUCLEW-UHFFFAOYSA-N 0 0 198.653 1.974 10 0 ADAERN C[C@H](O)CCC1([C@H](C)O)CC1 235598823 573428745 /nfs/dbraw/zinc/42/87/45/573428745.db2.gz HXDZLTBFTBKUJO-YUMQZZPRSA-N 0 0 158.241 1.308 10 0 ADAERN CCOC(=O)NCC[C@H](O)C(C)C 308389029 573428752 /nfs/dbraw/zinc/42/87/52/573428752.db2.gz YSTGXNKIYKQDEH-QMMMGPOBSA-N 0 0 189.255 1.140 10 0 ADAERN Clc1cnnc(C[C@H]2CCCO2)c1 259447956 573428756 /nfs/dbraw/zinc/42/87/56/573428756.db2.gz MGQGOPWAFBLYSZ-SECBINFHSA-N 0 0 198.653 1.852 10 0 ADAERN Cc1cc(CON)c(C)cc1F 258028805 573428757 /nfs/dbraw/zinc/42/87/57/573428757.db2.gz OYISINCOFLSLHW-UHFFFAOYSA-N 0 0 169.199 1.833 10 0 ADAERN COC(=O)/C=C\CC1CCOCC1 258028990 573428770 /nfs/dbraw/zinc/42/87/70/573428770.db2.gz BYYNHEFDRDDOJY-RQOWECAXSA-N 0 0 184.235 1.532 10 0 ADAERN CC[C@H]1c2noc(N)c2CN1C 107222724 573428778 /nfs/dbraw/zinc/42/87/78/573428778.db2.gz GAMLFBIJELULKY-LURJTMIESA-N 0 0 167.212 1.153 10 0 ADAERN Cc1c(O)cccc1CON 258026805 573428792 /nfs/dbraw/zinc/42/87/92/573428792.db2.gz OSXYPTQSURXRKN-UHFFFAOYSA-N 0 0 153.181 1.091 10 0 ADAERN CC1(C)Oc2ccc(NC=O)cc2O1 83145175 573428803 /nfs/dbraw/zinc/42/88/03/573428803.db2.gz BCRRXIRMAWQIIS-UHFFFAOYSA-N 0 0 193.202 1.762 10 0 ADAERN COC(=O)c1cc(NC=O)ccc1F 83145819 573428889 /nfs/dbraw/zinc/42/88/89/573428889.db2.gz ULBUNLIRBCUAEC-UHFFFAOYSA-N 0 0 197.165 1.181 10 0 ADAERN C[C@@H]1CCCN(C=O)[C@@H]1C 83145874 573428814 /nfs/dbraw/zinc/42/88/14/573428814.db2.gz XXVHFVWNBKDICS-HTQZYQBOSA-N 0 0 141.214 1.263 10 0 ADAERN C[C@@]1(CF)CC(=S)NCCS1 144125234 573428822 /nfs/dbraw/zinc/42/88/22/573428822.db2.gz YOQWGKHLBUTMGY-ZETCQYMHSA-N 0 0 193.312 1.769 10 0 ADAERN CC(C)c1nc2cccc(O)n2n1 258027853 573428834 /nfs/dbraw/zinc/42/88/34/573428834.db2.gz RZVSQKKOXXVBHI-UHFFFAOYSA-N 0 0 177.207 1.558 10 0 ADAERN C[C@H](O)c1cc([C@@H](C)O)ccn1 238392252 573428843 /nfs/dbraw/zinc/42/88/43/573428843.db2.gz IXPKPXBIGFYDAB-RQJHMYQMSA-N 0 0 167.208 1.188 10 0 ADAERN O=CNCc1cccc(Cl)c1 83145825 573428844 /nfs/dbraw/zinc/42/88/44/573428844.db2.gz GVGDLAXGYPLGDI-UHFFFAOYSA-N 0 0 169.611 1.586 10 0 ADAERN CON[C@@H](C)c1cccc(OC)c1 133761264 573428862 /nfs/dbraw/zinc/42/88/62/573428862.db2.gz JDCDANJXOPLNSS-QMMMGPOBSA-N 0 0 181.235 1.907 10 0 ADAERN COc1ccc([C@H](C)NC=O)cc1F 83145303 573428864 /nfs/dbraw/zinc/42/88/64/573428864.db2.gz LOMCMANTVYXEGL-ZETCQYMHSA-N 0 0 197.209 1.641 10 0 ADAERN COC[C@@H]1CCc2cc(N)ccc21 257811483 573428865 /nfs/dbraw/zinc/42/88/65/573428865.db2.gz BDKPMEAZACZSPI-VIFPVBQESA-N 0 0 177.247 1.945 10 0 ADAERN O=CN1CCc2sccc2C1 83145650 573429186 /nfs/dbraw/zinc/42/91/86/573429186.db2.gz ZFQIESNTCAEKFU-UHFFFAOYSA-N 0 0 167.233 1.263 10 0 ADAERN CO[C@@H]1C(=O)c2ccccc21 238392900 573429000 /nfs/dbraw/zinc/42/90/00/573429000.db2.gz QNDQNYMNXZMGFQ-VIFPVBQESA-N 0 0 148.161 1.570 10 0 ADAERN C[C@@](O)(CCCO)c1ccncc1 259448104 573429001 /nfs/dbraw/zinc/42/90/01/573429001.db2.gz VTFJBXBGMKXFEV-SNVBAGLBSA-N 0 0 181.235 1.062 10 0 ADAERN O=CN[C@H]1CCc2ccccc2C1 83145879 573429004 /nfs/dbraw/zinc/42/90/04/573429004.db2.gz YWGDWQFNHZUURZ-NSHDSACASA-N 0 0 175.231 1.290 10 0 ADAERN CC(C)c1ccc(O)c(CCON)c1 258027589 573429193 /nfs/dbraw/zinc/42/91/93/573429193.db2.gz IRDRQLGDLDDDSL-UHFFFAOYSA-N 0 0 195.262 1.948 10 0 ADAERN C[C@H](O)[C@@H]1CN(C)c2cccc(F)c21 258029323 573429027 /nfs/dbraw/zinc/42/90/27/573429027.db2.gz KAIKYHSVNIQMNW-YUMQZZPRSA-N 0 0 195.237 1.740 10 0 ADAERN COCc1cccc(NC=O)c1 83145105 573429029 /nfs/dbraw/zinc/42/90/29/573429029.db2.gz CUOVSMDYJRMQIL-UHFFFAOYSA-N 0 0 165.192 1.401 10 0 ADAERN Cc1ccccc1[C@@H](C)NC=O 83145796 573429037 /nfs/dbraw/zinc/42/90/37/573429037.db2.gz VQLQQUNJHXXTGS-SECBINFHSA-N 0 0 163.220 1.802 10 0 ADAERN NOC[C@H]1CNc2cccc(Cl)c21 258026963 573429062 /nfs/dbraw/zinc/42/90/62/573429062.db2.gz JVKBAXOMLDIZGA-ZCFIWIBFSA-N 0 0 198.653 1.739 10 0 ADAERN O=CN1CCC[C@@H]1c1ccc[nH]1 83145526 573429064 /nfs/dbraw/zinc/42/90/64/573429064.db2.gz PNXOTOVLSAAYRT-SECBINFHSA-N 0 0 164.208 1.308 10 0 ADAERN O=CNc1cccc2c[nH]nc12 83145326 573429072 /nfs/dbraw/zinc/42/90/72/573429072.db2.gz BMBLJIOXSAVAQH-UHFFFAOYSA-N 0 0 161.164 1.131 10 0 ADAERN Cc1c(C)c(CO)c(O)c(CO)c1C 144193019 573429076 /nfs/dbraw/zinc/42/90/76/573429076.db2.gz XTQHSOMBBZTHNU-UHFFFAOYSA-N 0 0 196.246 1.302 10 0 ADAERN CSc1nc(N)cc2ccnn12 258028718 573429079 /nfs/dbraw/zinc/42/90/79/573429079.db2.gz OWJAKSQPYBPNIP-UHFFFAOYSA-N 0 0 180.236 1.033 10 0 ADAERN C[C@@H](O)c1ccc(Cl)cc1CO 144170745 573429083 /nfs/dbraw/zinc/42/90/83/573429083.db2.gz LVWVCBRVMUTASX-ZCFIWIBFSA-N 0 0 186.638 1.886 10 0 ADAERN O=CNCCCOCc1ccccc1 83145736 573429090 /nfs/dbraw/zinc/42/90/90/573429090.db2.gz YKFXKGYZKDGPCO-UHFFFAOYSA-N 0 0 193.246 1.339 10 0 ADAERN CC(C)n1cc(NC=O)cn1 83145916 573429095 /nfs/dbraw/zinc/42/90/95/573429095.db2.gz ZIEIPHCQLVXHEF-UHFFFAOYSA-N 0 0 153.185 1.032 10 0 ADAERN Cc1ccc(F)c(NC=O)c1 83145716 573429110 /nfs/dbraw/zinc/42/91/10/573429110.db2.gz XUOVGOPHKIZQDG-UHFFFAOYSA-N 0 0 153.156 1.702 10 0 ADAERN Cc1cccc2c1C[C@H](CO)O2 144182578 573429114 /nfs/dbraw/zinc/42/91/14/573429114.db2.gz VWUWHYPKIVFXLC-MRVPVSSYSA-N 0 0 164.204 1.291 10 0 ADAERN CN(C=O)CC1CCCCC1 83145519 573429117 /nfs/dbraw/zinc/42/91/17/573429117.db2.gz QEYDQOMXUKLTDI-UHFFFAOYSA-N 0 0 155.241 1.655 10 0 ADAERN N#Cc1cccc(CNc2c[nH]cn2)c1 393633571 573429120 /nfs/dbraw/zinc/42/91/20/573429120.db2.gz SUUPZJMZCCVZQJ-UHFFFAOYSA-N 0 0 198.229 1.893 10 0 ADAERN CC[C@H]1c2[n-][nH]c(=O)c2C[N@H+]1C 107222761 573429125 /nfs/dbraw/zinc/42/91/25/573429125.db2.gz GRQKXFJFPLXOFD-LURJTMIESA-N 0 0 167.212 1.012 10 0 ADAERN CN[C@H](Cc1ccoc1)C(F)(F)F 133743050 573429128 /nfs/dbraw/zinc/42/91/28/573429128.db2.gz VWLFBMJDCPFQIM-SSDOTTSWSA-N 0 0 193.168 1.972 10 0 ADAERN C[C@H](O)CCC(=O)NC[C@H](C)C1CC1 133794854 573429208 /nfs/dbraw/zinc/42/92/08/573429208.db2.gz QDGNBTDQUUJQSM-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN CCSC(=O)c1sncc1N 258028966 573429216 /nfs/dbraw/zinc/42/92/16/573429216.db2.gz CMYBOUUJZJRLJW-UHFFFAOYSA-N 0 0 188.277 1.619 10 0 ADAERN CSc1cccc(NC=O)c1 83145679 573429219 /nfs/dbraw/zinc/42/92/19/573429219.db2.gz RWQVXEZHQSTLGV-UHFFFAOYSA-N 0 0 167.233 1.977 10 0 ADAERN CO[C@H](C(N)=O)[C@H]1CCCC[C@@H]1C 238392189 573429227 /nfs/dbraw/zinc/42/92/27/573429227.db2.gz NSECUCFTVJSWPU-CIUDSAMLSA-N 0 0 185.267 1.313 10 0 ADAERN CO[C@H](C)C/C(Cl)=C/CO 238392894 573429234 /nfs/dbraw/zinc/42/92/34/573429234.db2.gz JJZTZNRJNAKSDE-NPQKIFFKSA-N 0 0 164.632 1.526 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1NC=O 83145132 573429244 /nfs/dbraw/zinc/42/92/44/573429244.db2.gz VMEDJICJWKKBOM-BDAKNGLRSA-N 0 0 155.241 1.701 10 0 ADAERN CNOCCc1cccs1 258028043 573429245 /nfs/dbraw/zinc/42/92/45/573429245.db2.gz SDYVKXAPZKEPSN-UHFFFAOYSA-N 0 0 157.238 1.442 10 0 ADAERN Cc1ccc(-n2cc(N)nn2)cc1C 86454133 573429247 /nfs/dbraw/zinc/42/92/47/573429247.db2.gz PPRGZQRXVDOSJM-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN C[C@@H]1CCCC[C@H]1NC=O 83145695 573429265 /nfs/dbraw/zinc/42/92/65/573429265.db2.gz JPWUPDJHQMMJAT-HTQZYQBOSA-N 0 0 141.214 1.311 10 0 ADAERN Cc1c(O)cccc1CC1(O)CC1 258026794 573429267 /nfs/dbraw/zinc/42/92/67/573429267.db2.gz OSLSXGSZPCEOLM-UHFFFAOYSA-N 0 0 178.231 1.768 10 0 ADAERN CCNC(=O)c1cccc(NC=O)c1 83145774 573429281 /nfs/dbraw/zinc/42/92/81/573429281.db2.gz MBOUGQKFLREAOI-UHFFFAOYSA-N 0 0 192.218 1.005 10 0 ADAERN C[C@@H]1CNC(C(F)(F)F)=CC=[NH+]1 238392951 573429303 /nfs/dbraw/zinc/42/93/03/573429303.db2.gz QPMPKKQZSKFDRE-RXMQYKEDSA-N 0 0 178.157 1.495 10 0 ADAERN CCOc1ncccc1NC=O 83145127 573429311 /nfs/dbraw/zinc/42/93/11/573429311.db2.gz BTXFVUDXSWKQQR-UHFFFAOYSA-N 0 0 166.180 1.049 10 0 ADAERN Cc1cc(F)ccc1-n1ncc(N)n1 86454031 573429328 /nfs/dbraw/zinc/42/93/28/573429328.db2.gz LPVCCYGQQXBYJF-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CCN(C=O)c1ccccc1C 83145651 573429333 /nfs/dbraw/zinc/42/93/33/573429333.db2.gz SHJRJBMVHJTGJM-UHFFFAOYSA-N 0 0 163.220 1.978 10 0 ADAERN CCc1ccc(CNC(=O)C=O)cc1 258649634 573429340 /nfs/dbraw/zinc/42/93/40/573429340.db2.gz GZFVFEXIJXKODC-UHFFFAOYSA-N 0 0 191.230 1.064 10 0 ADAERN Cc1cc(N(C)C)ccc1NC=O 83145178 573429359 /nfs/dbraw/zinc/42/93/59/573429359.db2.gz UZPKNWBYVPTEBL-UHFFFAOYSA-N 0 0 178.235 1.629 10 0 ADAERN COc1cc(OC)c(CON)cc1C 258027574 573429365 /nfs/dbraw/zinc/42/93/65/573429365.db2.gz IRCBZYMDCCQZBZ-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN COCc1ccccc1NC=O 83145183 573429378 /nfs/dbraw/zinc/42/93/78/573429378.db2.gz QMMHFZBKRWXQIY-UHFFFAOYSA-N 0 0 165.192 1.401 10 0 ADAERN Cc1ccccc1[C@H](C)NC=O 83145797 573429384 /nfs/dbraw/zinc/42/93/84/573429384.db2.gz VQLQQUNJHXXTGS-VIFPVBQESA-N 0 0 163.220 1.802 10 0 ADAERN CCC(CC)(CO)COC(=O)NC 238210669 573429385 /nfs/dbraw/zinc/42/93/85/573429385.db2.gz BPBAQUCGSMIUAY-UHFFFAOYSA-N 0 0 189.255 1.141 10 0 ADAERN CCc1c[nH]c2cc(C=O)nc-2c1 257812376 573429393 /nfs/dbraw/zinc/42/93/93/573429393.db2.gz BNYWKMCOYMADRZ-UHFFFAOYSA-N 0 0 174.203 1.938 10 0 ADAERN O=CN[C@@H]1CCC[C@H](C(F)(F)F)C1 83145446 573429396 /nfs/dbraw/zinc/42/93/96/573429396.db2.gz ZXFRBPWXXKBRQB-NKWVEPMBSA-N 0 0 195.184 1.854 10 0 ADAERN Nc1cc([C@H]2CCCC[C@H]2O)ccn1 144179376 573429407 /nfs/dbraw/zinc/42/94/07/573429407.db2.gz YYBLMJAFMQJVOY-NXEZZACHSA-N 0 0 192.262 1.682 10 0 ADAERN COc1cccc2c1C[C@H]([C@H](C)O)O2 258028974 573429411 /nfs/dbraw/zinc/42/94/11/573429411.db2.gz DOHWUBPOBUTCOF-WRWORJQWSA-N 0 0 194.230 1.380 10 0 ADAERN O=CNc1cc(F)c(F)c(F)c1 83145910 573429413 /nfs/dbraw/zinc/42/94/13/573429413.db2.gz XFLNQKJUVAAXBD-UHFFFAOYSA-N 0 0 175.109 1.672 10 0 ADAERN C[C@@H]1CNC(=O)C(Cl)(Cl)C1 238393584 573429418 /nfs/dbraw/zinc/42/94/18/573429418.db2.gz PTAKQGYWQFIHOZ-BYPYZUCNSA-N 0 0 182.050 1.316 10 0 ADAERN Cc1c(O)cc2c(c1O)[C@H](C)C(=O)O2 238393545 573429426 /nfs/dbraw/zinc/42/94/26/573429426.db2.gz ICAMFVGOZQHTIW-YFKPBYRVSA-N 0 0 194.186 1.429 10 0 ADAERN Nc1cc(N)c(C2CC2)nc1Cl 257812427 573429428 /nfs/dbraw/zinc/42/94/28/573429428.db2.gz BQHQIFQXKONSPZ-UHFFFAOYSA-N 0 0 183.642 1.777 10 0 ADAERN COc1nc(NCC(C)C)ncc1F 238393425 573429435 /nfs/dbraw/zinc/42/94/35/573429435.db2.gz TUQHGQBOJYZLQN-UHFFFAOYSA-N 0 0 199.229 1.692 10 0 ADAERN C[C@](O)(CCCO)c1ccncc1 259448098 573429436 /nfs/dbraw/zinc/42/94/36/573429436.db2.gz VTFJBXBGMKXFEV-JTQLQIEISA-N 0 0 181.235 1.062 10 0 ADAERN C[C@@H](NC=O)c1cccc(O)c1 83145456 573429443 /nfs/dbraw/zinc/42/94/43/573429443.db2.gz XXSPSUJJGGDYOK-SSDOTTSWSA-N 0 0 165.192 1.199 10 0 ADAERN COc1c(C)ccc(C[C@@H](C)O)c1O 258027757 573429690 /nfs/dbraw/zinc/42/96/90/573429690.db2.gz ITUUTKOTTOMGNB-MRVPVSSYSA-N 0 0 196.246 1.633 10 0 ADAERN COc1c(C)ccc(C[C@H](C)O)c1O 258027760 573429450 /nfs/dbraw/zinc/42/94/50/573429450.db2.gz ITUUTKOTTOMGNB-QMMMGPOBSA-N 0 0 196.246 1.633 10 0 ADAERN CC1=CC[C@H](O)[C@@H]2OC(C)(C)O[C@H]12 144152434 573429453 /nfs/dbraw/zinc/42/94/53/573429453.db2.gz COPUCHSMEGAZQR-YIZRAAEISA-N 0 0 184.235 1.217 10 0 ADAERN O=CNc1cccnc1N1CCCC1 83145176 573429456 /nfs/dbraw/zinc/42/94/56/573429456.db2.gz QMFAFBIFIOAKHN-UHFFFAOYSA-N 0 0 191.234 1.250 10 0 ADAERN Nc1oncc1-c1cccc(F)c1O 258027793 573429457 /nfs/dbraw/zinc/42/94/57/573429457.db2.gz IVCKTQPGSAMOCD-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN O=CN[C@H]1CCCc2occc21 83145101 573429475 /nfs/dbraw/zinc/42/94/75/573429475.db2.gz YIXJOFDVXRPYKO-QMMMGPOBSA-N 0 0 165.192 1.403 10 0 ADAERN CCOc1ccc(NC=O)cc1OC 83145732 573429482 /nfs/dbraw/zinc/42/94/82/573429482.db2.gz WKADMZOGGKMKOM-UHFFFAOYSA-N 0 0 195.218 1.662 10 0 ADAERN Oc1ccccc1[C@]1(F)CCC[NH2+]C1 257811873 573429483 /nfs/dbraw/zinc/42/94/83/573429483.db2.gz BLKWJAOGTWOQNO-NSHDSACASA-N 0 0 195.237 1.940 10 0 ADAERN CCC(=O)Nc1ccc(NC=O)cc1 83145161 573429502 /nfs/dbraw/zinc/42/95/02/573429502.db2.gz JKYKHRMYSNDYPN-UHFFFAOYSA-N 0 0 192.218 1.603 10 0 ADAERN CO[C@H](C)C(=O)C(C)(C)OC 238392206 573429520 /nfs/dbraw/zinc/42/95/20/573429520.db2.gz WBLMNLKPNCXPPI-ZCFIWIBFSA-N 0 0 160.213 1.015 10 0 ADAERN NC(=O)c1ccc(Cl)c(NC=O)c1 83145188 573429538 /nfs/dbraw/zinc/42/95/38/573429538.db2.gz FVHJXNUKCCQLEA-UHFFFAOYSA-N 0 0 198.609 1.007 10 0 ADAERN COc1ccc([S-])c(C)c1N 238393164 573429565 /nfs/dbraw/zinc/42/95/65/573429565.db2.gz MPNNOOUPQNYPFO-UHFFFAOYSA-N 0 0 169.249 1.875 10 0 ADAERN CCC[C@H]1CC(=O)N(CCCCO)C1 133775188 573429567 /nfs/dbraw/zinc/42/95/67/573429567.db2.gz MDOUIPWUDWJIPX-JTQLQIEISA-N 0 0 199.294 1.408 10 0 ADAERN O=CNCCc1cccc(Cl)c1 83145733 573429569 /nfs/dbraw/zinc/42/95/69/573429569.db2.gz SHLXGZUEFGRUJX-UHFFFAOYSA-N 0 0 183.638 1.629 10 0 ADAERN OCCCc1cc(O)cc2c1OCO2 258027719 573429573 /nfs/dbraw/zinc/42/95/73/573429573.db2.gz ISWSSTQKGZFRGR-UHFFFAOYSA-N 0 0 196.202 1.046 10 0 ADAERN CN(C=O)Cc1ccc2c(c1)OCO2 83145800 573429576 /nfs/dbraw/zinc/42/95/76/573429576.db2.gz SXDQYVMCVFUPNA-UHFFFAOYSA-N 0 0 193.202 1.004 10 0 ADAERN CC(C)CNC(=O)Cc1cc[nH]c1 74962879 573429581 /nfs/dbraw/zinc/42/95/81/573429581.db2.gz HLZRODWLEYSROS-UHFFFAOYSA-N 0 0 180.251 1.329 10 0 ADAERN Cc1cc2c(Cl)c(C)nn2c(N)n1 258028649 573429586 /nfs/dbraw/zinc/42/95/86/573429586.db2.gz OVFXCVKFILWGDP-UHFFFAOYSA-N 0 0 196.641 1.582 10 0 ADAERN Cc1ncc(C(=O)[O-])c2ccn(C)c12 257811887 573429590 /nfs/dbraw/zinc/42/95/90/573429590.db2.gz BMCJSKGDBFWDRV-UHFFFAOYSA-N 0 0 190.202 1.580 10 0 ADAERN Nc1ncc(CCc2cccnc2)o1 258650264 573429607 /nfs/dbraw/zinc/42/96/07/573429607.db2.gz DJRKLFZSPHPGJT-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN O=C1CC=C[C@H]2CCC[C@H]12 144145224 573429616 /nfs/dbraw/zinc/42/96/16/573429616.db2.gz GKZOTKZPPKIKKQ-SFYZADRCSA-N 0 0 136.194 1.932 10 0 ADAERN O=C1CC=C[C@@H]2CCC[C@@H]12 144144604 573429623 /nfs/dbraw/zinc/42/96/23/573429623.db2.gz GKZOTKZPPKIKKQ-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@H]1CCCC[C@H]1NC=O 83145135 573429635 /nfs/dbraw/zinc/42/96/35/573429635.db2.gz VMEDJICJWKKBOM-DTWKUNHWSA-N 0 0 155.241 1.701 10 0 ADAERN N#CN1CCC[C@@H]2CCC[C@@H](O)[C@@H]21 144153269 573429668 /nfs/dbraw/zinc/42/96/68/573429668.db2.gz FVEVVMXESBEGKI-IVZWLZJFSA-N 0 0 180.251 1.093 10 0 ADAERN O=CNc1cccc(-n2cccn2)c1 83145411 573429678 /nfs/dbraw/zinc/42/96/78/573429678.db2.gz KKLPJPIGNPBQRG-UHFFFAOYSA-N 0 0 187.202 1.441 10 0 ADAERN CCC1(C)CCN(C=O)CC1 83146094 573431465 /nfs/dbraw/zinc/43/14/65/573431465.db2.gz ODKLYVMYTUKFDA-UHFFFAOYSA-N 0 0 155.241 1.655 10 0 ADAERN CC(C)NCc1cnsn1 86454001 573431466 /nfs/dbraw/zinc/43/14/66/573431466.db2.gz XELZGAYIFBLEPG-UHFFFAOYSA-N 0 0 157.242 1.036 10 0 ADAERN CC[C@H](NC=O)c1cccs1 83146220 573431486 /nfs/dbraw/zinc/43/14/86/573431486.db2.gz OXPAHKDZEQAJNZ-ZETCQYMHSA-N 0 0 169.249 1.945 10 0 ADAERN Nc1cn(-c2cc(F)ccc2F)nn1 86454238 573431507 /nfs/dbraw/zinc/43/15/07/573431507.db2.gz CUOATQRRMCTNNI-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN Nc1cn(-c2cc(F)cc(F)c2)nn1 86454067 573431523 /nfs/dbraw/zinc/43/15/23/573431523.db2.gz PDXVPTWWKWWSAT-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN Cn1nccc1[C@@H]1[C@@H](O)CCC1(C)C 144204296 573433653 /nfs/dbraw/zinc/43/36/53/573433653.db2.gz IQSUMFHIDKNUOT-VHSXEESVSA-N 0 0 194.278 1.685 10 0 ADAERN CC(=O)c1cc2c(c(F)c1O)OCO2 258030282 573433667 /nfs/dbraw/zinc/43/36/67/573433667.db2.gz IYROMLKPADFBKQ-UHFFFAOYSA-N 0 0 198.149 1.463 10 0 ADAERN CN(C=O)c1ccccc1F 83146171 573431532 /nfs/dbraw/zinc/43/15/32/573431532.db2.gz STNQTMAEQMBISR-UHFFFAOYSA-N 0 0 153.156 1.418 10 0 ADAERN C[C@@H]1CCCN(CCCCCO)C1=O 133764130 573431535 /nfs/dbraw/zinc/43/15/35/573431535.db2.gz BAWOBYKWDLWXPE-SNVBAGLBSA-N 0 0 199.294 1.408 10 0 ADAERN CC(C)(C)c1nc2ccc(O)cn2n1 258030805 573431577 /nfs/dbraw/zinc/43/15/77/573431577.db2.gz SHODYOZOIKUMEV-UHFFFAOYSA-N 0 0 191.234 1.732 10 0 ADAERN C[C@](F)(CC(=O)[O-])C1CC[NH2+]CC1 257811886 573431582 /nfs/dbraw/zinc/43/15/82/573431582.db2.gz BLZSCRBXXSIPAB-VIFPVBQESA-N 0 0 189.230 1.189 10 0 ADAERN CCN(C=O)c1ccc(F)cc1 83146153 573431590 /nfs/dbraw/zinc/43/15/90/573431590.db2.gz HHGKPJZKKYBNKY-UHFFFAOYSA-N 0 0 167.183 1.808 10 0 ADAERN O=C([O-])/C=C\C[C@H]1CCCC[NH2+]1 258031437 573431618 /nfs/dbraw/zinc/43/16/18/573431618.db2.gz CCZYJLJJUDJKHR-WAXIIBMWSA-N 0 0 169.224 1.159 10 0 ADAERN CC[C@@H]1c2[n-][nH]c(=O)c2C[N@H+]1C 107222758 573431628 /nfs/dbraw/zinc/43/16/28/573431628.db2.gz GRQKXFJFPLXOFD-ZCFIWIBFSA-N 0 0 167.212 1.012 10 0 ADAERN c1ccc(CNCc2ccon2)nc1 86452707 573431662 /nfs/dbraw/zinc/43/16/62/573431662.db2.gz XYFSVCCIPJMBFO-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN O=C([O-])/C=C\C[C@@H]1CCCC[NH2+]1 258031436 573431663 /nfs/dbraw/zinc/43/16/63/573431663.db2.gz CCZYJLJJUDJKHR-LBLVLHIFSA-N 0 0 169.224 1.159 10 0 ADAERN CC(=O)CC[C@@H]1CCCC1=O 118884190 573433693 /nfs/dbraw/zinc/43/36/93/573433693.db2.gz UQNURBRPTHTGEH-QMMMGPOBSA-N 0 0 154.209 1.725 10 0 ADAERN C[C@H](NC=O)C1CCCC1 83145981 573431700 /nfs/dbraw/zinc/43/17/00/573431700.db2.gz WTQHQYRGUILEJL-ZETCQYMHSA-N 0 0 141.214 1.311 10 0 ADAERN COc1ccc(CO)c(C(F)F)n1 238394252 573431728 /nfs/dbraw/zinc/43/17/28/573431728.db2.gz GTNAKJAFWIVWST-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN COc1cc2c(cc1C)NC[C@H](O)C2 238394293 573431733 /nfs/dbraw/zinc/43/17/33/573431733.db2.gz AHJAVFRPCOUKAF-SECBINFHSA-N 0 0 193.246 1.333 10 0 ADAERN COc1[nH]c(=O)c(O)cc1C(F)F 238394722 573431757 /nfs/dbraw/zinc/43/17/57/573431757.db2.gz OTIFCCLBIZIXMJ-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN C[N@@H+]1CCC[C@@H]1C/C=C\C(=O)[O-] 258031422 573431760 /nfs/dbraw/zinc/43/17/60/573431760.db2.gz CCRFXKLGXANIMQ-XVZDEFPZSA-N 0 0 169.224 1.112 10 0 ADAERN CC(C)NC(=O)Cc1cc[nH]c1 74962872 573431775 /nfs/dbraw/zinc/43/17/75/573431775.db2.gz USKCUQUCWZULGV-UHFFFAOYSA-N 0 0 166.224 1.082 10 0 ADAERN CS[C@H](O)C(=O)c1ccc(C)cc1 238394045 573431777 /nfs/dbraw/zinc/43/17/77/573431777.db2.gz DJBXXXPUJVGHHW-JTQLQIEISA-N 0 0 196.271 1.859 10 0 ADAERN CCCCN(C)C(=O)Cc1cc[nH]c1 74963065 573431787 /nfs/dbraw/zinc/43/17/87/573431787.db2.gz PLDSGRKZWFRXNH-UHFFFAOYSA-N 0 0 194.278 1.816 10 0 ADAERN Cc1csc([C@H](C)NC=O)n1 83146280 573431796 /nfs/dbraw/zinc/43/17/96/573431796.db2.gz RHGDJYKZQFKYJA-LURJTMIESA-N 0 0 170.237 1.259 10 0 ADAERN Cc1ncsc1CN(C)C=O 83145933 573431808 /nfs/dbraw/zinc/43/18/08/573431808.db2.gz LLZJWOFOTSADSW-UHFFFAOYSA-N 0 0 170.237 1.040 10 0 ADAERN CO[C@@H]1C=CC[C@H](C(C)=O)[C@@H]1C 238393713 573431810 /nfs/dbraw/zinc/43/18/10/573431810.db2.gz MTURGOBLWFZEER-UJNFCWOMSA-N 0 0 168.236 1.803 10 0 ADAERN COCc1ccc(OC)cc1CON 258030355 573431818 /nfs/dbraw/zinc/43/18/18/573431818.db2.gz JAAPROZSBWJOTE-UHFFFAOYSA-N 0 0 197.234 1.232 10 0 ADAERN C[C@H]1CCC[C@H](CCNC=O)C1 83145996 573431826 /nfs/dbraw/zinc/43/18/26/573431826.db2.gz WDNXSPGTJPJOHI-VHSXEESVSA-N 0 0 169.268 1.949 10 0 ADAERN O=C(Cc1cc[nH]c1)N1CCCC1 74962885 573431836 /nfs/dbraw/zinc/43/18/36/573431836.db2.gz FLWAAORPSXGFHN-UHFFFAOYSA-N 0 0 178.235 1.180 10 0 ADAERN CC(C)[C@H]1CCCN(C=O)CC1 83146294 573431847 /nfs/dbraw/zinc/43/18/47/573431847.db2.gz BTHUCRONWCKMIU-JTQLQIEISA-N 0 0 169.268 1.901 10 0 ADAERN COc1ccc2c(c1)[C@H](C)NCC2=O 238394589 573433697 /nfs/dbraw/zinc/43/36/97/573433697.db2.gz BOXXQGPKQXXVLP-ZETCQYMHSA-N 0 0 191.230 1.542 10 0 ADAERN CC(=O)[C@H](C)NC(=O)c1ccoc1C 83152154 573431863 /nfs/dbraw/zinc/43/18/63/573431863.db2.gz UHDDLBRTVSOWIR-LURJTMIESA-N 0 0 195.218 1.295 10 0 ADAERN CC[C@@H]1CC[C@H](NC=O)[C@@H]1C 83146331 573431871 /nfs/dbraw/zinc/43/18/71/573431871.db2.gz BRMKVQDGEZTASK-HLTSFMKQSA-N 0 0 155.241 1.557 10 0 ADAERN CC1(C)OC[C@H]([C@@H]2CC/C2=C/CO)O1 308580983 573431899 /nfs/dbraw/zinc/43/18/99/573431899.db2.gz JUDWRZBXEGFDLP-MMIMJOASSA-N 0 0 198.262 1.467 10 0 ADAERN Cc1cc(Cl)cc(CON)c1O 258030235 573431911 /nfs/dbraw/zinc/43/19/11/573431911.db2.gz IXFVKTYLEMLMOC-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN CC[C@@H](CC1CC1)NC=O 83145959 573431930 /nfs/dbraw/zinc/43/19/30/573431930.db2.gz HRLHNIHJSJATIQ-QMMMGPOBSA-N 0 0 141.214 1.311 10 0 ADAERN O=CNC[C@@H]1CC=CCC1 83146183 573431960 /nfs/dbraw/zinc/43/19/60/573431960.db2.gz WCRQUHFEOYSCND-MRVPVSSYSA-N 0 0 139.198 1.089 10 0 ADAERN O=Cc1ccc(-c2cnco2)cn1 118878501 573431966 /nfs/dbraw/zinc/43/19/66/573431966.db2.gz VBMZFGPYJZMQLX-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CCC[C@H]([C@@H]1C[C@H]1C(=O)[O-])[NH+](C)C 259448221 573433716 /nfs/dbraw/zinc/43/37/16/573433716.db2.gz JCLIKPUSGZHJBQ-IWSPIJDZSA-N 0 0 185.267 1.437 10 0 ADAERN CCc1cccc(-n2cc(N)nn2)c1 86454149 573432017 /nfs/dbraw/zinc/43/20/17/573432017.db2.gz ZTCQVFKKPKKOBP-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CC(C)N(C=O)CC1CC1 83146215 573432022 /nfs/dbraw/zinc/43/20/22/573432022.db2.gz NIMXQNGSOTVMKR-UHFFFAOYSA-N 0 0 141.214 1.263 10 0 ADAERN CC(C)C[C@@H]1C(=O)CCCN1C 107224343 573432024 /nfs/dbraw/zinc/43/20/24/573432024.db2.gz XSTMQHXKUASMKZ-SECBINFHSA-N 0 0 169.268 1.696 10 0 ADAERN C[C@@H]1Cc2ccccc2N(C=O)C1 83145963 573432030 /nfs/dbraw/zinc/43/20/30/573432030.db2.gz IKZKXYBYQSEMLH-SECBINFHSA-N 0 0 175.231 1.842 10 0 ADAERN c1cc2n(c1)Cn1cccc1-2 144280228 573432034 /nfs/dbraw/zinc/43/20/34/573432034.db2.gz OJJNWVYSMMCSQB-UHFFFAOYSA-N 0 0 144.177 1.776 10 0 ADAERN CCCCNC(=O)Cc1ccn(C)c1 74962503 573432056 /nfs/dbraw/zinc/43/20/56/573432056.db2.gz WVAXHLMUNNUJAP-UHFFFAOYSA-N 0 0 194.278 1.484 10 0 ADAERN CS[C@H](O)C(=O)C1CCCCC1 238394030 573432076 /nfs/dbraw/zinc/43/20/76/573432076.db2.gz DEGFOXFWEQKSAU-VIFPVBQESA-N 0 0 188.292 1.817 10 0 ADAERN COC1NC(=O)C(C(F)F)=CC1=O 238394325 573432092 /nfs/dbraw/zinc/43/20/92/573432092.db2.gz ZNRLRMPZLOKRET-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN COc1[nH]c(=O)c(N)cc1C(F)F 238394700 573432118 /nfs/dbraw/zinc/43/21/18/573432118.db2.gz BQHYJPHHYFKBDD-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CO[C@@H]1CC(=O)CCCCC1=O 238394480 573432129 /nfs/dbraw/zinc/43/21/29/573432129.db2.gz RFAPTYCGMAUNBB-SECBINFHSA-N 0 0 170.208 1.104 10 0 ADAERN CO[C@@H]1C=CC[C@@H](C)[C@@H]1CO 238393665 573432135 /nfs/dbraw/zinc/43/21/35/573432135.db2.gz ZWGORKCSBAJXIC-HRDYMLBCSA-N 0 0 156.225 1.206 10 0 ADAERN CC(=O)CNC(=O)c1ccc(C)s1 83151944 573432160 /nfs/dbraw/zinc/43/21/60/573432160.db2.gz FDNWYATYLQJLIF-UHFFFAOYSA-N 0 0 197.259 1.375 10 0 ADAERN CCN(CC)C(=O)Cc1ccn(C)c1 74962667 573432161 /nfs/dbraw/zinc/43/21/61/573432161.db2.gz IZVXRVLBCVZDOL-UHFFFAOYSA-N 0 0 194.278 1.436 10 0 ADAERN C/C=C/CCNC(=O)C[C@@H](C)COC 130028467 573432162 /nfs/dbraw/zinc/43/21/62/573432162.db2.gz RDXQIOZCLDLSRE-ORAHPGNNSA-N 0 0 199.294 1.741 10 0 ADAERN CC[C@H](C(N)=O)c1ccccn1 118887550 573432163 /nfs/dbraw/zinc/43/21/63/573432163.db2.gz XVFKQRZSSQOPSY-ZETCQYMHSA-N 0 0 164.208 1.061 10 0 ADAERN CCOCC(=O)c1cccc(N)c1F 308581806 573432164 /nfs/dbraw/zinc/43/21/64/573432164.db2.gz PPDBKBRFWMHIPJ-UHFFFAOYSA-N 0 0 197.209 1.627 10 0 ADAERN CC[C@@H](CO)C[C@H]1CCCC(=O)N1 215209318 573432176 /nfs/dbraw/zinc/43/21/76/573432176.db2.gz FWUCLMMHYGROGN-RKDXNWHRSA-N 0 0 185.267 1.064 10 0 ADAERN O=CN1CCC[C@H]1C1CCCC1 83146157 573432180 /nfs/dbraw/zinc/43/21/80/573432180.db2.gz GPVNLUIBZSHUBJ-JTQLQIEISA-N 0 0 167.252 1.797 10 0 ADAERN Cc1ccc(CON)c(C=O)c1 258030848 573433720 /nfs/dbraw/zinc/43/37/20/573433720.db2.gz OZEHMFSIUIQEAI-UHFFFAOYSA-N 0 0 165.192 1.198 10 0 ADAERN CC[C@@H](NC=O)c1cccs1 83146222 573432210 /nfs/dbraw/zinc/43/22/10/573432210.db2.gz OXPAHKDZEQAJNZ-SSDOTTSWSA-N 0 0 169.249 1.945 10 0 ADAERN CO[C@@H]1CC(=O)C[C@H](C(C)C)O1 238394636 573432216 /nfs/dbraw/zinc/43/22/16/573432216.db2.gz APUGBYGGMTUHAI-BDAKNGLRSA-N 0 0 172.224 1.363 10 0 ADAERN COc1cc(F)ccc1NC=O 83146186 573432218 /nfs/dbraw/zinc/43/22/18/573432218.db2.gz RDROQIJYNXJDCU-UHFFFAOYSA-N 0 0 169.155 1.403 10 0 ADAERN CO[C@H]1CC2(CCCC2)CC1=O 238394023 573432235 /nfs/dbraw/zinc/43/22/35/573432235.db2.gz MUTQNFCVGKCHPF-VIFPVBQESA-N 0 0 168.236 1.925 10 0 ADAERN COc1ccc2c(c1C=O)CCC2=O 238394475 573432244 /nfs/dbraw/zinc/43/22/44/573432244.db2.gz DOTRJIVYSMJRQO-UHFFFAOYSA-N 0 0 190.198 1.637 10 0 ADAERN COC(=O)Cc1cccc(F)c1C 238394915 573432279 /nfs/dbraw/zinc/43/22/79/573432279.db2.gz DPMPKJRHEVXCCY-UHFFFAOYSA-N 0 0 182.194 1.850 10 0 ADAERN COC/C=C/CCCCO 238394491 573432289 /nfs/dbraw/zinc/43/22/89/573432289.db2.gz AJFWOIKDBGIUBQ-GQCTYLIASA-N 0 0 144.214 1.352 10 0 ADAERN O=Cc1nnn(C2CC2)c1C1CCC1 257811846 573433725 /nfs/dbraw/zinc/43/37/25/573433725.db2.gz BKFMYQQKOJVCGY-UHFFFAOYSA-N 0 0 191.234 1.693 10 0 ADAERN C[C@@H]1CC(NC=O)C[C@@H](C)C1 83146317 573432295 /nfs/dbraw/zinc/43/22/95/573432295.db2.gz IHQLGPZDKFHPMH-YUMQZZPRSA-N 0 0 155.241 1.557 10 0 ADAERN O=CNC[C@H]1CC=CCC1 83146184 573432303 /nfs/dbraw/zinc/43/23/03/573432303.db2.gz WCRQUHFEOYSCND-QMMMGPOBSA-N 0 0 139.198 1.089 10 0 ADAERN CCc1nc(NC=O)sc1C 83146159 573432315 /nfs/dbraw/zinc/43/23/15/573432315.db2.gz HETNPSAAFYCXCM-UHFFFAOYSA-N 0 0 170.237 1.582 10 0 ADAERN COc1cccc(N(C)C=O)c1 83146154 573433727 /nfs/dbraw/zinc/43/37/27/573433727.db2.gz HBVBHPAPIZEBSG-UHFFFAOYSA-N 0 0 165.192 1.288 10 0 ADAERN Cc1cc([C@@H](C)NC=O)c(C)o1 83146206 573432336 /nfs/dbraw/zinc/43/23/36/573432336.db2.gz VNPOVJXDXDTJKD-SSDOTTSWSA-N 0 0 167.208 1.703 10 0 ADAERN CCC1CCC(NC=O)CC1 83146210 573432342 /nfs/dbraw/zinc/43/23/42/573432342.db2.gz BRZRUYDZXKETEV-UHFFFAOYSA-N 0 0 155.241 1.701 10 0 ADAERN CC(C)(C)NC(=O)Cc1cc[nH]c1 74963054 573432351 /nfs/dbraw/zinc/43/23/51/573432351.db2.gz KQCBTUNWWWYYCN-UHFFFAOYSA-N 0 0 180.251 1.472 10 0 ADAERN CC(C)Cc1ccc(NCCO)nn1 259449290 573432360 /nfs/dbraw/zinc/43/23/60/573432360.db2.gz ZCCLYLOZQRXOEU-UHFFFAOYSA-N 0 0 195.266 1.079 10 0 ADAERN NC(=S)c1c(F)cccc1NC=O 83146373 573432364 /nfs/dbraw/zinc/43/23/64/573432364.db2.gz NVHRTKBAHOMMDL-UHFFFAOYSA-N 0 0 198.222 1.028 10 0 ADAERN Cc1nnn(C2CCCC2)c1C=O 257812385 573432365 /nfs/dbraw/zinc/43/23/65/573432365.db2.gz BOIWOBCCSNYVHD-UHFFFAOYSA-N 0 0 179.223 1.514 10 0 ADAERN CC(C)[C@H]1NCc2c1noc2N 107222708 573432366 /nfs/dbraw/zinc/43/23/66/573432366.db2.gz HDTSKKRQAXKPAF-ZCFIWIBFSA-N 0 0 167.212 1.057 10 0 ADAERN Cc1ccc(C[C@@H](C)NC=O)s1 83146300 573432381 /nfs/dbraw/zinc/43/23/81/573432381.db2.gz SSQCNVMDXXMOKB-SSDOTTSWSA-N 0 0 183.276 1.734 10 0 ADAERN Cc1c(F)cccc1-n1cc(N)nn1 86454317 573432398 /nfs/dbraw/zinc/43/23/98/573432398.db2.gz PDMVWGKLAKGSMW-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN COc1cc2c(cc1OC)[C@@H](O)C2 238394890 573432402 /nfs/dbraw/zinc/43/24/02/573432402.db2.gz NXTKPGCDJNXFCO-QMMMGPOBSA-N 0 0 180.203 1.293 10 0 ADAERN Nc1cn(-c2cccc(Cl)c2)nn1 86454074 573432411 /nfs/dbraw/zinc/43/24/11/573432411.db2.gz AKOXOAWDYGRYRA-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN C[C@]1(O)CCNc2ccc(O)cc21 257812382 573432418 /nfs/dbraw/zinc/43/24/18/573432418.db2.gz BOGSWXRFIUAJTM-JTQLQIEISA-N 0 0 179.219 1.415 10 0 ADAERN CC(C)Oc1cccnn1 118865368 573434056 /nfs/dbraw/zinc/43/40/56/573434056.db2.gz MSULMBMCHNWZRL-UHFFFAOYSA-N 0 0 138.170 1.264 10 0 ADAERN C[C@@H](C[C@@H]1CNc2ccccc21)NO 238394260 573432421 /nfs/dbraw/zinc/43/24/21/573432421.db2.gz CRKSITCSMFVPGM-DTWKUNHWSA-N 0 0 192.262 1.953 10 0 ADAERN C/C=C\COCCC(C)=O 144201960 573432425 /nfs/dbraw/zinc/43/24/25/573432425.db2.gz CXHVKOCACMPVLQ-ARJAWSKDSA-N 0 0 142.198 1.558 10 0 ADAERN CCC(CC)[C@@H](C)NC=O 83145947 573432429 /nfs/dbraw/zinc/43/24/29/573432429.db2.gz UPGHCMPAMZAQEY-SSDOTTSWSA-N 0 0 143.230 1.557 10 0 ADAERN COC/C=C/CC[C@H](C)O 238394609 573432431 /nfs/dbraw/zinc/43/24/31/573432431.db2.gz OBVPXVHZPSPSAV-WGAJWPLOSA-N 0 0 144.214 1.350 10 0 ADAERN COc1ccc(NC=O)cc1C 83146213 573432462 /nfs/dbraw/zinc/43/24/62/573432462.db2.gz ZFAOAZKDCSGEFX-UHFFFAOYSA-N 0 0 165.192 1.572 10 0 ADAERN CC(=O)CNC(=O)C1CCCCCC1 83151754 573432469 /nfs/dbraw/zinc/43/24/69/573432469.db2.gz SBZNVPGMZTZCJH-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN C[C@@H]1CC[C@H](NC=O)[C@H](C)C1 83145954 573432481 /nfs/dbraw/zinc/43/24/81/573432481.db2.gz OBCXIPNUXNFAML-HLTSFMKQSA-N 0 0 155.241 1.557 10 0 ADAERN COCC1(C[C@@H]2CCNC2=O)CCC1 308581633 573432485 /nfs/dbraw/zinc/43/24/85/573432485.db2.gz PLFJGXIOSVJAON-VIFPVBQESA-N 0 0 197.278 1.329 10 0 ADAERN COc1ccc2c(n1)SCCC2=O 238394255 573432487 /nfs/dbraw/zinc/43/24/87/573432487.db2.gz MZKDLNVEXKKAHR-UHFFFAOYSA-N 0 0 195.243 1.769 10 0 ADAERN NOCc1ccccc1C1CSC1 258030322 573432488 /nfs/dbraw/zinc/43/24/88/573432488.db2.gz IZJYHOILAVQKRP-UHFFFAOYSA-N 0 0 195.287 1.907 10 0 ADAERN C[C@]1(C[C@@H]2CCCCO2)CNC(=O)O1 258652515 573432489 /nfs/dbraw/zinc/43/24/89/573432489.db2.gz XAOOUTSOMFYHAK-WPRPVWTQSA-N 0 0 199.250 1.444 10 0 ADAERN Cc1ccc(C(N)=S)cc1NC=O 83151299 573432530 /nfs/dbraw/zinc/43/25/30/573432530.db2.gz GBHAAMHLPONWRF-UHFFFAOYSA-N 0 0 194.259 1.198 10 0 ADAERN COc1ccc2oc(=O)c(O)cc2c1 118887522 573432531 /nfs/dbraw/zinc/43/25/31/573432531.db2.gz JCRCMXRVNODTHE-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN CC[C@@H]1CCC[C@@H](NC=O)C1 83146325 573432539 /nfs/dbraw/zinc/43/25/39/573432539.db2.gz KPLYEMJRXDOHSA-RKDXNWHRSA-N 0 0 155.241 1.701 10 0 ADAERN Cn1cc(-c2ccc(O)cc2)oc1=O 258031014 573432541 /nfs/dbraw/zinc/43/25/41/573432541.db2.gz PBURSEBABKSHGZ-UHFFFAOYSA-N 0 0 191.186 1.351 10 0 ADAERN O=C1C[C@@H](CC(F)(F)Cl)CN1 144273249 573432547 /nfs/dbraw/zinc/43/25/47/573432547.db2.gz NTHWPONGAAWUAJ-BYPYZUCNSA-N 0 0 183.585 1.344 10 0 ADAERN C[C@@H](O)c1scnc1Cl 238394289 573432552 /nfs/dbraw/zinc/43/25/52/573432552.db2.gz NLJFHGVUBKAPLC-GSVOUGTGSA-N 0 0 163.629 1.850 10 0 ADAERN Nc1cn(-c2ccc(F)c(F)c2)nn1 86454141 573432558 /nfs/dbraw/zinc/43/25/58/573432558.db2.gz OVQHNSLNEOROPT-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN C=Cc1nc(C(=O)OC)ccc1O 238394976 573432577 /nfs/dbraw/zinc/43/25/77/573432577.db2.gz CPRNUIHEUXOBLF-UHFFFAOYSA-N 0 0 179.175 1.217 10 0 ADAERN CC[C@H](N[C@H]1C[C@H]1C1CC1)C(=O)OC 308581425 573432582 /nfs/dbraw/zinc/43/25/82/573432582.db2.gz GQAKMCVJDCZYAU-GUBZILKMSA-N 0 0 197.278 1.326 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)C(C)(C)C 83152227 573432592 /nfs/dbraw/zinc/43/25/92/573432592.db2.gz QRVIKTWONGIKIJ-ZCFIWIBFSA-N 0 0 171.240 1.126 10 0 ADAERN COc1cc(F)c(F)c(CO)c1O 258030280 573433814 /nfs/dbraw/zinc/43/38/14/573433814.db2.gz IYQLSEOKABYNBE-UHFFFAOYSA-N 0 0 190.145 1.171 10 0 ADAERN CC(=O)[C@H](C)NC(=O)c1occc1C 83152059 573432641 /nfs/dbraw/zinc/43/26/41/573432641.db2.gz KLZSYJYIVBUSFN-ZETCQYMHSA-N 0 0 195.218 1.295 10 0 ADAERN C[C@@H](O)c1cc2c(cn1)OC[C@@H]2C 238394812 573432643 /nfs/dbraw/zinc/43/26/43/573432643.db2.gz XUEBKWAOGVQQKN-NKWVEPMBSA-N 0 0 179.219 1.631 10 0 ADAERN C[C@@H]1CCCN(C=O)CC1 83145937 573432660 /nfs/dbraw/zinc/43/26/60/573432660.db2.gz GCXLXXOIXXUUMQ-MRVPVSSYSA-N 0 0 141.214 1.265 10 0 ADAERN Cc1ccc(F)cc1-n1cc(N)nn1 86454125 573432665 /nfs/dbraw/zinc/43/26/65/573432665.db2.gz OOSNNQOBIAURNX-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC[C@H]1CCC[C@@H](NC=O)C1 83146326 573432668 /nfs/dbraw/zinc/43/26/68/573432668.db2.gz KPLYEMJRXDOHSA-DTWKUNHWSA-N 0 0 155.241 1.701 10 0 ADAERN O=CNc1nc2c(s1)CCC2 83146214 573432680 /nfs/dbraw/zinc/43/26/80/573432680.db2.gz DDMZAEVYQHZSQK-UHFFFAOYSA-N 0 0 168.221 1.200 10 0 ADAERN CC(C)C[C@H]1C(=O)CCCN1C 107224347 573432682 /nfs/dbraw/zinc/43/26/82/573432682.db2.gz XSTMQHXKUASMKZ-VIFPVBQESA-N 0 0 169.268 1.696 10 0 ADAERN CC(=O)[C@H](F)[C@@H]1CCCOC1 258649473 573432703 /nfs/dbraw/zinc/43/27/03/573432703.db2.gz ZIABRVMTGCKXLY-SFYZADRCSA-N 0 0 160.188 1.340 10 0 ADAERN Cn1nccc1[C@@H]1[C@H](O)CCC1(C)C 144204705 573432709 /nfs/dbraw/zinc/43/27/09/573432709.db2.gz IQSUMFHIDKNUOT-NXEZZACHSA-N 0 0 194.278 1.685 10 0 ADAERN C[C@@H](CC(=O)[O-])C1=CCC[NH2+]C1 258031067 573432715 /nfs/dbraw/zinc/43/27/15/573432715.db2.gz PCZLDIMIUGWBHO-ZETCQYMHSA-N 0 0 169.224 1.017 10 0 ADAERN C[C@@H]([NH+]1CCCC1)C1(C(=O)[O-])CC1 257812341 573432717 /nfs/dbraw/zinc/43/27/17/573432717.db2.gz BLWGYRRMJHEVCR-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@@H](NC=O)C1CCCC1 83145982 573432727 /nfs/dbraw/zinc/43/27/27/573432727.db2.gz WTQHQYRGUILEJL-SSDOTTSWSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@@H](CO)c1ccc(F)c(F)c1O 258030259 573432732 /nfs/dbraw/zinc/43/27/32/573432732.db2.gz IXZAOCDJXKHBIG-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN COC(=O)Cc1cccc(C)c1F 238394558 573432742 /nfs/dbraw/zinc/43/27/42/573432742.db2.gz PGWCMIFSRDZFFG-UHFFFAOYSA-N 0 0 182.194 1.850 10 0 ADAERN COC(=O)c1sccc1[C@@H](C)O 144270954 573432748 /nfs/dbraw/zinc/43/27/48/573432748.db2.gz VDDIIWDQELDKBX-RXMQYKEDSA-N 0 0 186.232 1.588 10 0 ADAERN Cc1ccc(N2CC=CC2)c(N)c1 118881885 573432778 /nfs/dbraw/zinc/43/27/78/573432778.db2.gz MKDANGDJWXNDLK-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN CC(C)[C@@H]1CCCN(C=O)CC1 83146293 573432792 /nfs/dbraw/zinc/43/27/92/573432792.db2.gz BTHUCRONWCKMIU-SNVBAGLBSA-N 0 0 169.268 1.901 10 0 ADAERN CO[C@@H]1C=CC[C@@H](C(C)=O)[C@@H]1C 238393604 573432795 /nfs/dbraw/zinc/43/27/95/573432795.db2.gz MTURGOBLWFZEER-FXBDTBDDSA-N 0 0 168.236 1.803 10 0 ADAERN O=C1CCCCC2(CCC2)N1 144290680 573432818 /nfs/dbraw/zinc/43/28/18/573432818.db2.gz IHXPBURPQSJNBQ-UHFFFAOYSA-N 0 0 153.225 1.599 10 0 ADAERN Cc1nc(C)c([C@@H](C)NC=O)s1 83146070 573432819 /nfs/dbraw/zinc/43/28/19/573432819.db2.gz DEXDWAZXWIIKHQ-RXMQYKEDSA-N 0 0 184.264 1.567 10 0 ADAERN Cc1nc(C)c([C@H](C)NC=O)s1 83146071 573432835 /nfs/dbraw/zinc/43/28/35/573432835.db2.gz DEXDWAZXWIIKHQ-YFKPBYRVSA-N 0 0 184.264 1.567 10 0 ADAERN C[C@@H]1CCC[C@H](CCNC=O)C1 83145995 573432855 /nfs/dbraw/zinc/43/28/55/573432855.db2.gz WDNXSPGTJPJOHI-NXEZZACHSA-N 0 0 169.268 1.949 10 0 ADAERN CC[C@H](NC=O)c1nccs1 83146296 573432870 /nfs/dbraw/zinc/43/28/70/573432870.db2.gz XULAVOGASZHINW-LURJTMIESA-N 0 0 170.237 1.340 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)c1ccsc1 83152152 573432888 /nfs/dbraw/zinc/43/28/88/573432888.db2.gz ZCWCBRYQIWGTEO-ZCFIWIBFSA-N 0 0 197.259 1.455 10 0 ADAERN Cc1cncc([C@H](O)C(F)(F)F)c1 118865953 573432937 /nfs/dbraw/zinc/43/29/37/573432937.db2.gz XWSXHCCVTLGKEC-ZETCQYMHSA-N 0 0 191.152 1.986 10 0 ADAERN Cc1cc([C@H](C)NC=O)c(C)o1 83146209 573432945 /nfs/dbraw/zinc/43/29/45/573432945.db2.gz VNPOVJXDXDTJKD-ZETCQYMHSA-N 0 0 167.208 1.703 10 0 ADAERN CC(=O)CNC(=O)c1sccc1C 83151910 573432949 /nfs/dbraw/zinc/43/29/49/573432949.db2.gz AHTRKBGVHXOKRL-UHFFFAOYSA-N 0 0 197.259 1.375 10 0 ADAERN CCN(CC)C(=O)Cc1cc[nH]c1 74963044 573432972 /nfs/dbraw/zinc/43/29/72/573432972.db2.gz PALPSPIOTUNENU-UHFFFAOYSA-N 0 0 180.251 1.426 10 0 ADAERN O=CN(CC1CC1)C1CC1 83146302 573432991 /nfs/dbraw/zinc/43/29/91/573432991.db2.gz WGAGXJQPKRQYIT-UHFFFAOYSA-N 0 0 139.198 1.017 10 0 ADAERN CN(C)c1ccc(F)cc1C(=O)CN 258030234 573432998 /nfs/dbraw/zinc/43/29/98/573432998.db2.gz IXEPHYLXQUGBBH-UHFFFAOYSA-N 0 0 196.225 1.033 10 0 ADAERN C[C@H]1C[C@H](NC=O)CC[C@H]1C 83146321 573433030 /nfs/dbraw/zinc/43/30/30/573433030.db2.gz XDFRNYUXIYSOKA-HRDYMLBCSA-N 0 0 155.241 1.557 10 0 ADAERN Cn1nc(C=O)cc1[C@@H]1CCCCO1 257811889 573433032 /nfs/dbraw/zinc/43/30/32/573433032.db2.gz BMIGSEIIZIGYQV-JTQLQIEISA-N 0 0 194.234 1.474 10 0 ADAERN Cc1cc(-n2cc(N)nn2)ccc1F 86454330 573433038 /nfs/dbraw/zinc/43/30/38/573433038.db2.gz SSLIFZQQWBVLMB-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC(C)[C@@](C[NH3+])(C(=O)[O-])C(F)(F)F 257812455 573433044 /nfs/dbraw/zinc/43/30/44/573433044.db2.gz AKHQKEJACLLJMJ-LURJTMIESA-N 0 0 199.172 1.234 10 0 ADAERN CC[C@H](CO)C[C@@H]1CCCC(=O)N1 215209168 573433052 /nfs/dbraw/zinc/43/30/52/573433052.db2.gz FWUCLMMHYGROGN-IUCAKERBSA-N 0 0 185.267 1.064 10 0 ADAERN CCN(CC)c1ccc(CON)cc1 258030337 573433074 /nfs/dbraw/zinc/43/30/74/573433074.db2.gz IZNZNLRHWCXAEL-UHFFFAOYSA-N 0 0 194.278 1.923 10 0 ADAERN CO[C@@H]1C=CC[C@H](C)[C@@H]1CO 238393758 573433085 /nfs/dbraw/zinc/43/30/85/573433085.db2.gz ZWGORKCSBAJXIC-XHNCKOQMSA-N 0 0 156.225 1.206 10 0 ADAERN C[C@@H](CC(C)(C)O)[C@H]1CCC(=O)N1 238394131 573433103 /nfs/dbraw/zinc/43/31/03/573433103.db2.gz KTYPPFLABDSCKO-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN CC[C@@H]1CC[C@@H](NC=O)[C@@H]1C 83146333 573433109 /nfs/dbraw/zinc/43/31/09/573433109.db2.gz BRMKVQDGEZTASK-IWSPIJDZSA-N 0 0 155.241 1.557 10 0 ADAERN COc1cccc(C[C@H]2CO2)c1O 238394017 573433124 /nfs/dbraw/zinc/43/31/24/573433124.db2.gz CIVSLDZPWZLFGE-QMMMGPOBSA-N 0 0 180.203 1.342 10 0 ADAERN CS[C@H]1C(=O)NCc2ccccc21 238394605 573433152 /nfs/dbraw/zinc/43/31/52/573433152.db2.gz WQPUMHHQZXEOFL-SECBINFHSA-N 0 0 193.271 1.721 10 0 ADAERN COc1cnc(C(F)F)c(C)c1N 238394090 573433168 /nfs/dbraw/zinc/43/31/68/573433168.db2.gz ONJONYJJUXARTQ-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN C[C@@H](CC(C)(C)O)[C@@H]1CCC(=O)N1 238394083 573433185 /nfs/dbraw/zinc/43/31/85/573433185.db2.gz KTYPPFLABDSCKO-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN COc1cc(O)cc(O)c1N=O 238394694 573433204 /nfs/dbraw/zinc/43/32/04/573433204.db2.gz DFZLLQZJEDKAOD-UHFFFAOYSA-N 0 0 169.136 1.504 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)CCC2=O 238394392 573433226 /nfs/dbraw/zinc/43/32/26/573433226.db2.gz XUTUPEUVQXNQRA-NSHDSACASA-N 0 0 192.214 1.705 10 0 ADAERN COc1nccn2cc(C3CC3)nc12 144200794 573433232 /nfs/dbraw/zinc/43/32/32/573433232.db2.gz IHAZOERTAFTLCP-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN OCc1[nH]nc2c1C(F)(F)CCC2 257812303 573433251 /nfs/dbraw/zinc/43/32/51/573433251.db2.gz BRAADPJDTROWLO-UHFFFAOYSA-N 0 0 188.177 1.330 10 0 ADAERN CS[C@H](CO)C(C)C 238393663 573433253 /nfs/dbraw/zinc/43/32/53/573433253.db2.gz IHVBKANROVHTKQ-ZCFIWIBFSA-N 0 0 134.244 1.366 10 0 ADAERN Cc1ccc(N(C)C=O)c(C)c1 83146180 573433267 /nfs/dbraw/zinc/43/32/67/573433267.db2.gz JZBVYNPEDKUZLJ-UHFFFAOYSA-N 0 0 163.220 1.896 10 0 ADAERN COc1cc(=O)cc(C(F)F)[nH]1 238394006 573433284 /nfs/dbraw/zinc/43/32/84/573433284.db2.gz XZDYFBLAZZWXEA-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN COC1=CC(=O)N[C@@H]1CC(C)C 118877848 573433294 /nfs/dbraw/zinc/43/32/94/573433294.db2.gz LSDRFKHHOYLEEB-SSDOTTSWSA-N 0 0 169.224 1.061 10 0 ADAERN C[C@@H](CO)c1ccccc1N(C)C 258030899 573433295 /nfs/dbraw/zinc/43/32/95/573433295.db2.gz OZTHGXBAVROWMY-VIFPVBQESA-N 0 0 179.263 1.848 10 0 ADAERN COC(=O)c1cc2cnoc2cn1 238394436 573434092 /nfs/dbraw/zinc/43/40/92/573434092.db2.gz FHFDDXVQWRXOLN-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN CCCCC[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 258649314 573433324 /nfs/dbraw/zinc/43/33/24/573433324.db2.gz MNIQWJWOETYHLO-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN COC(=O)c1ccc2cnoc2n1 257811974 573433342 /nfs/dbraw/zinc/43/33/42/573433342.db2.gz BICULONJJXOJBH-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN Cc1ccc([C@H](C)NC=O)s1 83146161 573433343 /nfs/dbraw/zinc/43/33/43/573433343.db2.gz JSWXKUUPHGYYQN-ZETCQYMHSA-N 0 0 169.249 1.864 10 0 ADAERN COc1n[nH]c(C(C)C)c1CO 258030771 573433347 /nfs/dbraw/zinc/43/33/47/573433347.db2.gz SHADRNCYPOXAMR-UHFFFAOYSA-N 0 0 170.212 1.034 10 0 ADAERN COC(=O)c1cc(C)cc2c1NCC2 259448389 573433351 /nfs/dbraw/zinc/43/33/51/573433351.db2.gz PMRMSXKPEWQGNA-UHFFFAOYSA-N 0 0 191.230 1.750 10 0 ADAERN COc1ccc(CO)c2c1CCC2=O 238394950 573433363 /nfs/dbraw/zinc/43/33/63/573433363.db2.gz MPZVBGRCYLSHIL-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN C[C@@H]1CCC[C@@H](CCNC=O)C1 83145997 573433375 /nfs/dbraw/zinc/43/33/75/573433375.db2.gz WDNXSPGTJPJOHI-ZJUUUORDSA-N 0 0 169.268 1.949 10 0 ADAERN CC[C@@H](C(N)=O)c1ccccn1 118887548 573434098 /nfs/dbraw/zinc/43/40/98/573434098.db2.gz XVFKQRZSSQOPSY-SSDOTTSWSA-N 0 0 164.208 1.061 10 0 ADAERN Cc1c(N)nnn1-c1cccc(F)c1 86454079 573433389 /nfs/dbraw/zinc/43/33/89/573433389.db2.gz DDEWSJZLTBWNCL-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN FC(F)(F)c1onc2c1CNC2 107226381 573433408 /nfs/dbraw/zinc/43/34/08/573433408.db2.gz AEFSUABHQXSCPH-UHFFFAOYSA-N 0 0 178.113 1.297 10 0 ADAERN CCCCCNC(=O)Cc1cc[nH]c1 74963063 573433410 /nfs/dbraw/zinc/43/34/10/573433410.db2.gz BFADSMFUGZJHNF-UHFFFAOYSA-N 0 0 194.278 1.864 10 0 ADAERN CC[C@@H](NC=O)c1nccs1 83146297 573433412 /nfs/dbraw/zinc/43/34/12/573433412.db2.gz XULAVOGASZHINW-ZCFIWIBFSA-N 0 0 170.237 1.340 10 0 ADAERN CCN(C=O)c1cccc(F)c1 83146170 573433435 /nfs/dbraw/zinc/43/34/35/573433435.db2.gz KFFLSJHXFCIERL-UHFFFAOYSA-N 0 0 167.183 1.808 10 0 ADAERN Cc1c(N)nnn1-c1ccccc1F 86454090 573433441 /nfs/dbraw/zinc/43/34/41/573433441.db2.gz QMLHYGRJLYYOKT-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC[C@H]1CCCN(C=O)CC1 83146304 573433446 /nfs/dbraw/zinc/43/34/46/573433446.db2.gz CACQJZAWFOQZFD-VIFPVBQESA-N 0 0 155.241 1.655 10 0 ADAERN C[C@](O)(CO)C1CCCCCC1 257812399 573433452 /nfs/dbraw/zinc/43/34/52/573433452.db2.gz BPHUAKHEJKRIEE-JTQLQIEISA-N 0 0 172.268 1.700 10 0 ADAERN COC(=O)c1cc2c[nH]nc2s1 238393855 573433459 /nfs/dbraw/zinc/43/34/59/573433459.db2.gz FZYFURXPKQEWID-UHFFFAOYSA-N 0 0 182.204 1.411 10 0 ADAERN CC(C)(C)c1ccc(C(N)=O)cc1N 144200868 573433462 /nfs/dbraw/zinc/43/34/62/573433462.db2.gz MRYDYPZRWDPGTO-UHFFFAOYSA-N 0 0 192.262 1.665 10 0 ADAERN CCN(CC)c1ccc(NC=O)cn1 83146578 573433479 /nfs/dbraw/zinc/43/34/79/573433479.db2.gz LMYMRHFXLHRXBL-UHFFFAOYSA-N 0 0 193.250 1.496 10 0 ADAERN CO[C@@H]1CC(=O)C[C@@H](C(C)C)O1 238394530 573433505 /nfs/dbraw/zinc/43/35/05/573433505.db2.gz APUGBYGGMTUHAI-IUCAKERBSA-N 0 0 172.224 1.363 10 0 ADAERN Cn1nc(C=O)cc1[C@H]1CCCCO1 257811890 573433507 /nfs/dbraw/zinc/43/35/07/573433507.db2.gz BMIGSEIIZIGYQV-SNVBAGLBSA-N 0 0 194.234 1.474 10 0 ADAERN O=CNCc1cc2c(s1)CCC2 83146043 573433513 /nfs/dbraw/zinc/43/35/13/573433513.db2.gz ZIMJKHKEQKZIFQ-UHFFFAOYSA-N 0 0 181.260 1.483 10 0 ADAERN CCCN(C(C)=O)[C@H]1C[C@H](O)C1(C)C 238211500 573433517 /nfs/dbraw/zinc/43/35/17/573433517.db2.gz LOXKPBHDTIFYMY-UWVGGRQHSA-N 0 0 199.294 1.404 10 0 ADAERN CS[C@H](CO)C(C)(C)SC 238393641 573433524 /nfs/dbraw/zinc/43/35/24/573433524.db2.gz GQVFMWONTZZVOQ-ZCFIWIBFSA-N 0 0 180.338 1.852 10 0 ADAERN CC[C@H]1CCC[C@H](NC=O)C1 83146324 573433536 /nfs/dbraw/zinc/43/35/36/573433536.db2.gz KPLYEMJRXDOHSA-IUCAKERBSA-N 0 0 155.241 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XAOOUTSOMFYHAK-WCBMZHEXSA-N 0 0 199.250 1.444 10 0 ADAERN C[C@@H]1CNC(=O)C=C(Cl)C1 238393695 573435077 /nfs/dbraw/zinc/43/50/77/573435077.db2.gz VFWKMTHDCUADKM-YFKPBYRVSA-N 0 0 159.616 1.265 10 0 ADAERN COc1cc2c(c(N)c1OC)COC2 238393722 573435086 /nfs/dbraw/zinc/43/50/86/573435086.db2.gz BOLMCVKZTRPWHH-UHFFFAOYSA-N 0 0 195.218 1.316 10 0 ADAERN CC(=O)CNC(=O)CC1CCCC1 83151724 573435087 /nfs/dbraw/zinc/43/50/87/573435087.db2.gz VRRGNBYLAGPCCI-UHFFFAOYSA-N 0 0 183.251 1.272 10 0 ADAERN COc1cccc2c1N(C=O)CCC2 83146000 573435093 /nfs/dbraw/zinc/43/50/93/573435093.db2.gz TXQYURSAQGGKHV-UHFFFAOYSA-N 0 0 191.230 1.604 10 0 ADAERN Cc1nc(C=O)c2ccc(F)cc2n1 257812292 573435096 /nfs/dbraw/zinc/43/50/96/573435096.db2.gz BQOUDQSOFBYVJI-UHFFFAOYSA-N 0 0 190.177 1.890 10 0 ADAERN CC(=O)[C@H](C)NC(=O)c1ccsc1 83152151 573435120 /nfs/dbraw/zinc/43/51/20/573435120.db2.gz ZCWCBRYQIWGTEO-LURJTMIESA-N 0 0 197.259 1.455 10 0 ADAERN C[C@@H]1CNC(=S)C[C@H](C)C1 238394836 573435122 /nfs/dbraw/zinc/43/51/22/573435122.db2.gz MXXVKBYKVWDPIW-RQJHMYQMSA-N 0 0 157.282 1.969 10 0 ADAERN O=C1CCC[C@@H](CCCCO)C1 238663447 573435124 /nfs/dbraw/zinc/43/51/24/573435124.db2.gz IZCIDCVEAQJLAM-SECBINFHSA-N 0 0 170.252 1.908 10 0 ADAERN Cc1cc(N2CC=CC2)ccc1N 118882056 573435139 /nfs/dbraw/zinc/43/51/39/573435139.db2.gz ZNGVSRZYFMPCAC-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN COC(=O)c1ccc(O)c(C=O)c1C 238395002 573435142 /nfs/dbraw/zinc/43/51/42/573435142.db2.gz QPCIMDGXQUCZPZ-UHFFFAOYSA-N 0 0 194.186 1.300 10 0 ADAERN C[C@@H](O)c1ccc(C2=NCCO2)cc1 118868288 573435151 /nfs/dbraw/zinc/43/51/51/573435151.db2.gz QDAHMHYJWPJMOR-MRVPVSSYSA-N 0 0 191.230 1.517 10 0 ADAERN C[C@@H]1C(C)(C)CC[C@]1(C)C(N)=O 238394904 573435156 /nfs/dbraw/zinc/43/51/56/573435156.db2.gz OYYVEJSUBPJURV-XCBNKYQSSA-N 0 0 169.268 1.934 10 0 ADAERN CN(C(=O)S)C1CCC1 258649407 573435159 /nfs/dbraw/zinc/43/51/59/573435159.db2.gz GVACTMWRILJBBE-UHFFFAOYSA-N 0 0 145.227 1.521 10 0 ADAERN O=C(S)N1CCC(F)(F)C1 259449127 573435160 /nfs/dbraw/zinc/43/51/60/573435160.db2.gz KIBQASCMYLZNHA-UHFFFAOYSA-N 0 0 167.180 1.377 10 0 ADAERN CC(C)[C@](C)(O)CCCCCO 137917748 573435164 /nfs/dbraw/zinc/43/51/64/573435164.db2.gz ZFROIJRYTZOCRN-SNVBAGLBSA-N 0 0 174.284 1.946 10 0 ADAERN CC[C@H](O)C[C@H](O)C(F)(F)F 144209479 573435171 /nfs/dbraw/zinc/43/51/71/573435171.db2.gz ZYZQEYYIBPIIEM-WHFBIAKZSA-N 0 0 172.146 1.071 10 0 ADAERN Cc1ccc(N2CC(=O)C=N2)s1 258030854 573435179 /nfs/dbraw/zinc/43/51/79/573435179.db2.gz SIKVZLGLECVBKK-UHFFFAOYSA-N 0 0 180.232 1.948 10 0 ADAERN COc1ccc(SC)c(CO)c1 238394170 573435182 /nfs/dbraw/zinc/43/51/82/573435182.db2.gz GFSPULIFOJJMJT-UHFFFAOYSA-N 0 0 184.260 1.909 10 0 ADAERN C[C@H](CC(=O)[O-])C1=CCC[NH2+]C1 258031064 573435185 /nfs/dbraw/zinc/43/51/85/573435185.db2.gz PCZLDIMIUGWBHO-SSDOTTSWSA-N 0 0 169.224 1.017 10 0 ADAERN CC(=O)C[C@H](C)NC(C)=S 238394980 573435189 /nfs/dbraw/zinc/43/51/89/573435189.db2.gz HULGFQXFPXXDPR-YFKPBYRVSA-N 0 0 159.254 1.291 10 0 ADAERN Cc1cc(O)c(C2(O)CC2)cc1O 258030889 573435207 /nfs/dbraw/zinc/43/52/07/573435207.db2.gz OZPYIXJFCVBANI-UHFFFAOYSA-N 0 0 180.203 1.388 10 0 ADAERN CS(=O)(=O)c1cccc2c1OCC2 238394834 573435212 /nfs/dbraw/zinc/43/52/12/573435212.db2.gz VSLKKYAHPRRDPA-UHFFFAOYSA-N 0 0 198.243 1.025 10 0 ADAERN C[C@@](CO)(CCO)Cc1ccccc1 308580941 573435215 /nfs/dbraw/zinc/43/52/15/573435215.db2.gz JSGCBLMXHPDGHA-GFCCVEGCSA-N 0 0 194.274 1.610 10 0 ADAERN C[C@@H]1CNC(=S)C[C@@H](C)C1 238394814 573435224 /nfs/dbraw/zinc/43/52/24/573435224.db2.gz MXXVKBYKVWDPIW-BQBZGAKWSA-N 0 0 157.282 1.969 10 0 ADAERN C[NH2+][C@@H](C)c1coc(C(=O)[O-])c1 258652470 573435226 /nfs/dbraw/zinc/43/52/26/573435226.db2.gz ZRVAVZFMADTFAJ-YFKPBYRVSA-N 0 0 169.180 1.258 10 0 ADAERN Nc1ccc(N2CC=CC2)c(F)c1 118882021 573435237 /nfs/dbraw/zinc/43/52/37/573435237.db2.gz FEWMMPORJHJAFM-UHFFFAOYSA-N 0 0 178.210 1.784 10 0 ADAERN COC1=CC(=O)N[C@H]1CC(C)C 118877826 573435271 /nfs/dbraw/zinc/43/52/71/573435271.db2.gz LSDRFKHHOYLEEB-ZETCQYMHSA-N 0 0 169.224 1.061 10 0 ADAERN C[C@]1(C[C@H]2CCCCO2)CNC(=O)O1 258652507 573435272 /nfs/dbraw/zinc/43/52/72/573435272.db2.gz XAOOUTSOMFYHAK-SCZZXKLOSA-N 0 0 199.250 1.444 10 0 ADAERN O=C([O-])CCC12CC[NH+](CC1)CC2 118855886 573435291 /nfs/dbraw/zinc/43/52/91/573435291.db2.gz FSDHCZHIHUAXPB-UHFFFAOYSA-N 0 0 183.251 1.337 10 0 ADAERN CC(C)NCc1noc(C2(C)CC2)n1 308581026 573435296 /nfs/dbraw/zinc/43/52/96/573435296.db2.gz GKNCLTHGLTXENY-UHFFFAOYSA-N 0 0 195.266 1.619 10 0 ADAERN COC(=O)c1ccc(NC=S)cc1 238394241 573435313 /nfs/dbraw/zinc/43/53/13/573435313.db2.gz VSCMCHIGELKVMT-UHFFFAOYSA-N 0 0 195.243 1.842 10 0 ADAERN C[C@H](C(=O)Nc1ccccc1)N(C)O 238394736 573435324 /nfs/dbraw/zinc/43/53/24/573435324.db2.gz GMUMKYHVVVJKIW-MRVPVSSYSA-N 0 0 194.234 1.335 10 0 ADAERN C[C@H](CCO)c1cccnc1 118856486 573435330 /nfs/dbraw/zinc/43/53/30/573435330.db2.gz UEKWBNCLAIQFJI-MRVPVSSYSA-N 0 0 151.209 1.568 10 0 ADAERN C[C@@H]1C(C)(C)CC[C@@]1(C)C(N)=O 238394841 573435352 /nfs/dbraw/zinc/43/53/52/573435352.db2.gz OYYVEJSUBPJURV-GMSGAONNSA-N 0 0 169.268 1.934 10 0 ADAERN CO[C@@H]1CC(=O)CC(C)(C)S1 238394443 573435377 /nfs/dbraw/zinc/43/53/77/573435377.db2.gz KJHOUXMBPMQOKO-ZETCQYMHSA-N 0 0 174.265 1.834 10 0 ADAERN C[C@H](CO)c1ccccc1N(C)C 258030894 573435381 /nfs/dbraw/zinc/43/53/81/573435381.db2.gz OZTHGXBAVROWMY-SECBINFHSA-N 0 0 179.263 1.848 10 0 ADAERN COc1ccc2c(c1CO)CCC2=O 238394496 573435388 /nfs/dbraw/zinc/43/53/88/573435388.db2.gz JBFPZYCQYLJAJR-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN CC(=O)CC[C@H]1CCCC1=O 118884192 573436781 /nfs/dbraw/zinc/43/67/81/573436781.db2.gz UQNURBRPTHTGEH-MRVPVSSYSA-N 0 0 154.209 1.725 10 0 ADAERN COc1ccc(O)cc1C1(O)CC1 258022144 573436164 /nfs/dbraw/zinc/43/61/64/573436164.db2.gz OFJLIGMVHZYIEZ-UHFFFAOYSA-N 0 0 180.203 1.382 10 0 ADAERN Cc1ccc(N)cc1N1CC=CC1 118881815 573435431 /nfs/dbraw/zinc/43/54/31/573435431.db2.gz XNAPBGINBJCLTK-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@H]1c1cccnc1 259611454 573435436 /nfs/dbraw/zinc/43/54/36/573435436.db2.gz MUOZIKSBRBGZGP-UJNFCWOMSA-N 0 0 191.230 1.604 10 0 ADAERN Cc1cccc(/C=C/[C@@H]([NH3+])C(=O)[O-])c1 257812604 573435469 /nfs/dbraw/zinc/43/54/69/573435469.db2.gz BVTOOFYOGXFBBD-BRAIEQGRSA-N 0 0 191.230 1.420 10 0 ADAERN CS[C@H](O)C(=O)c1ccccc1O 238394079 573435474 /nfs/dbraw/zinc/43/54/74/573435474.db2.gz ACVNIKOYZJEPSS-VIFPVBQESA-N 0 0 198.243 1.256 10 0 ADAERN Cc1cccc2c1C[C@](O)(CO)CC2 257812565 573435489 /nfs/dbraw/zinc/43/54/89/573435489.db2.gz BUCUZYSXHVVWPW-LBPRGKRZSA-N 0 0 192.258 1.207 10 0 ADAERN CS(=O)(=O)c1ccc2ccoc2c1 238393731 573435504 /nfs/dbraw/zinc/43/55/04/573435504.db2.gz FUSKMGNXPQZHSD-UHFFFAOYSA-N 0 0 196.227 1.836 10 0 ADAERN CO[C@](C)(CO)Cc1ccccc1O 257813286 573437333 /nfs/dbraw/zinc/43/73/33/573437333.db2.gz CAWYNBLRTJJGHU-NSHDSACASA-N 0 0 196.246 1.332 10 0 ADAERN COc1cc(O)cc(O)c1Cl 238394653 573435518 /nfs/dbraw/zinc/43/55/18/573435518.db2.gz RIUKXKQJCWIJFF-UHFFFAOYSA-N 0 0 174.583 1.760 10 0 ADAERN Cc1c(F)ccc(O)c1CON 258030939 573435524 /nfs/dbraw/zinc/43/55/24/573435524.db2.gz PAJRJMKRPXUOAE-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN Oc1ccccc1[C@]1(O)CCCOC1 257812910 573435540 /nfs/dbraw/zinc/43/55/40/573435540.db2.gz BXVAWTVVIMTXTA-NSHDSACASA-N 0 0 194.230 1.390 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)c1ccc(C)o1 83152427 573435544 /nfs/dbraw/zinc/43/55/44/573435544.db2.gz XSTAHAVXGMOCRZ-SSDOTTSWSA-N 0 0 195.218 1.295 10 0 ADAERN CO[C@H]1CCC[C@@]2(CCC2=O)C1 238394723 573435556 /nfs/dbraw/zinc/43/55/56/573435556.db2.gz JBIUYLNRTKOIQM-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN CC(=O)CNC(=O)NC1CCCCC1 83153165 573435560 /nfs/dbraw/zinc/43/55/60/573435560.db2.gz BWOJFPUVQKNXEI-UHFFFAOYSA-N 0 0 198.266 1.207 10 0 ADAERN COc1ccc2c(c1)[C@@H](C)NCC2=O 238394602 573435563 /nfs/dbraw/zinc/43/55/63/573435563.db2.gz BOXXQGPKQXXVLP-SSDOTTSWSA-N 0 0 191.230 1.542 10 0 ADAERN Cc1cc(F)c(O)c(CCCO)c1 258030312 573435575 /nfs/dbraw/zinc/43/55/75/573435575.db2.gz IZDHOVFTBZTTLC-UHFFFAOYSA-N 0 0 184.210 1.765 10 0 ADAERN [NH3+]Cc1cc2[nH]c(C(=O)[O-])cc2s1 257813026 573435583 /nfs/dbraw/zinc/43/55/83/573435583.db2.gz CANVAMCGKYAKSQ-UHFFFAOYSA-N 0 0 196.231 1.386 10 0 ADAERN CCOC(=O)C[C@H](O)[C@@]1(C)C[C@H]1C 714694082 573435595 /nfs/dbraw/zinc/43/55/95/573435595.db2.gz VQOUIGPEELCAJV-WEDXCCLWSA-N 0 0 186.251 1.347 10 0 ADAERN COc1[nH]c(=O)c(C(F)F)cc1F 238394234 573435599 /nfs/dbraw/zinc/43/55/99/573435599.db2.gz KZRGAIZUPUKKLY-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CC[C@H](C)C(=O)NCC(=O)C(C)C 83152928 573435638 /nfs/dbraw/zinc/43/56/38/573435638.db2.gz UNRYKSKDRGTDMG-QMMMGPOBSA-N 0 0 185.267 1.374 10 0 ADAERN CCO[C@H](c1ccccc1)[C@H](C)NN 126201121 573435648 /nfs/dbraw/zinc/43/56/48/573435648.db2.gz SRJYVXCDBVKUCI-ONGXEEELSA-N 0 0 194.278 1.616 10 0 ADAERN Cc1ccc(N2CC=CC2)cc1N 118881855 573435656 /nfs/dbraw/zinc/43/56/56/573435656.db2.gz SGLSJVKRQNYHRO-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN COC(=O)[C@@]1(C)[C@@H](O)CCC1(C)C 238394244 573435661 /nfs/dbraw/zinc/43/56/61/573435661.db2.gz RIWOUJXOPADCGY-OIBJUYFYSA-N 0 0 186.251 1.347 10 0 ADAERN CCCNC(=O)Cc1cc(C)[nH]c1C 74975523 573435706 /nfs/dbraw/zinc/43/57/06/573435706.db2.gz URODDBOEPYYFDY-UHFFFAOYSA-N 0 0 194.278 1.700 10 0 ADAERN COc1cc(N)ccc1N1CC=CC1 118881727 573435719 /nfs/dbraw/zinc/43/57/19/573435719.db2.gz HAJVQCZXMFDJKQ-UHFFFAOYSA-N 0 0 190.246 1.654 10 0 ADAERN Cc1cc(N)ccc1N1CC=CC1 118881663 573435724 /nfs/dbraw/zinc/43/57/24/573435724.db2.gz JMODXTQZGQIAAX-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN O=C1NNC[C@@H](c2ccc(F)cc2)O1 257813010 573435726 /nfs/dbraw/zinc/43/57/26/573435726.db2.gz CABQFQKXXXUYMJ-QMMMGPOBSA-N 0 0 196.181 1.111 10 0 ADAERN COC(=O)c1cc2cnncc2s1 238394306 573435730 /nfs/dbraw/zinc/43/57/30/573435730.db2.gz ZOSZNEOYFPOEPQ-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN NCc1ncc(Cc2ccccc2)o1 107232907 573435731 /nfs/dbraw/zinc/43/57/31/573435731.db2.gz DQHJIUWAMXFTCC-UHFFFAOYSA-N 0 0 188.230 1.724 10 0 ADAERN COC(=O)c1cc2cncnc2o1 238394277 573435735 /nfs/dbraw/zinc/43/57/35/573435735.db2.gz HSLVXSJSZVMPDA-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN C[C@@H]1[NH2+]C[C@H](C(C)(C)C)C[C@@H]1C(=O)[O-] 238394759 573435764 /nfs/dbraw/zinc/43/57/64/573435764.db2.gz WXHLFFYRZFGXFF-YIZRAAEISA-N 0 0 199.294 1.731 10 0 ADAERN Nc1ccc2cc[nH]c2c1O 259448511 573435804 /nfs/dbraw/zinc/43/58/04/573435804.db2.gz POBNIGYIUJIVOW-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN CC1CCC(n2nnnc2N)CC1 86456691 573435807 /nfs/dbraw/zinc/43/58/07/573435807.db2.gz RKPQDNXCHLKEJP-UHFFFAOYSA-N 0 0 181.243 1.007 10 0 ADAERN Cc1cccc2c1C[C@@](O)(CO)CC2 257812564 573435848 /nfs/dbraw/zinc/43/58/48/573435848.db2.gz BUCUZYSXHVVWPW-GFCCVEGCSA-N 0 0 192.258 1.207 10 0 ADAERN O=C([O-])CC1(F)C[C@@H]2CC[C@H](C1)[NH2+]2 257812681 573435855 /nfs/dbraw/zinc/43/58/55/573435855.db2.gz BRZOSZWHKRLLEJ-AVSFMBPQSA-N 0 0 187.214 1.084 10 0 ADAERN Cc1cccc(/C=C/[C@H]([NH3+])C(=O)[O-])c1 257812605 573435875 /nfs/dbraw/zinc/43/58/75/573435875.db2.gz BVTOOFYOGXFBBD-PORFMDCZSA-N 0 0 191.230 1.420 10 0 ADAERN COC(=O)[C@@]1(C)[C@H](O)CCC1(C)C 238394361 573435886 /nfs/dbraw/zinc/43/58/86/573435886.db2.gz RIWOUJXOPADCGY-GMSGAONNSA-N 0 0 186.251 1.347 10 0 ADAERN O=C1NOC[C@H](C2CCCC2)O1 257812715 573435893 /nfs/dbraw/zinc/43/58/93/573435893.db2.gz BTKWYQPMNYSBAH-SSDOTTSWSA-N 0 0 171.196 1.217 10 0 ADAERN O=C([O-])C[C@@H](F)C[NH+]1CCCCC1 257812995 573435902 /nfs/dbraw/zinc/43/59/02/573435902.db2.gz BZSPJVYUWPTDGW-MRVPVSSYSA-N 0 0 189.230 1.285 10 0 ADAERN C[C@@H]1CCC[C@H](n2nnnc2N)[C@@H]1C 86456680 573435935 /nfs/dbraw/zinc/43/59/35/573435935.db2.gz MJAZELFIYNSFIH-PRJMDXOYSA-N 0 0 195.270 1.253 10 0 ADAERN CO[C@H](C)Cc1cccc(O)c1 238393841 573435942 /nfs/dbraw/zinc/43/59/42/573435942.db2.gz YVKFEWDQGLVSDQ-MRVPVSSYSA-N 0 0 166.220 1.970 10 0 ADAERN C/C=C(\C=C\C)CCO 144287410 573435951 /nfs/dbraw/zinc/43/59/51/573435951.db2.gz OWHSMNLMMNWYBK-MSLMYCKWSA-N 0 0 126.199 1.891 10 0 ADAERN CCON=C1CCCCN1 86455863 573435955 /nfs/dbraw/zinc/43/59/55/573435955.db2.gz JJRNNPQZINUURF-UHFFFAOYSA-N 0 0 142.202 1.110 10 0 ADAERN C[C@H]1C[C@H](O)[C@H](C)CC12OCCO2 238396435 573438985 /nfs/dbraw/zinc/43/89/85/573438985.db2.gz PPOWCMIRWAUHBB-VGMNWLOBSA-N 0 0 186.251 1.156 10 0 ADAERN C[C@H]1CCCC[C@H]1n1nnnc1N 86456688 573435976 /nfs/dbraw/zinc/43/59/76/573435976.db2.gz NTHQAVAHDGTNCB-NKWVEPMBSA-N 0 0 181.243 1.007 10 0 ADAERN C[C@@H]1C[C@@H](CC(=O)[O-])C[N@@H+]1C1CC1 107230565 573435986 /nfs/dbraw/zinc/43/59/86/573435986.db2.gz WEDGHLGDVRONIJ-SFYZADRCSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]1(C[NH3+])CC(=O)[O-] 235596327 573436002 /nfs/dbraw/zinc/43/60/02/573436002.db2.gz NRINYMPKZVIZTI-KWQFWETISA-N 0 0 199.294 1.862 10 0 ADAERN CCCCN1C(=O)C2(CC2)N[C@@H]1CC 138117918 573436011 /nfs/dbraw/zinc/43/60/11/573436011.db2.gz PQFGGTURBLCZCU-VIFPVBQESA-N 0 0 196.294 1.487 10 0 ADAERN Nc1nn[nH]c1C1CCCCCC1 257812774 573436033 /nfs/dbraw/zinc/43/60/33/573436033.db2.gz BVWYOSQUORPARQ-UHFFFAOYSA-N 0 0 180.255 1.825 10 0 ADAERN CC(C)NC(=O)NCCc1cc[nH]c1 74982476 573436039 /nfs/dbraw/zinc/43/60/39/573436039.db2.gz ZULOASAGLBNFSX-UHFFFAOYSA-N 0 0 195.266 1.265 10 0 ADAERN [NH3+][C@H](c1ccccc1)c1cc(=O)o[n-]1 107233060 573436042 /nfs/dbraw/zinc/43/60/42/573436042.db2.gz DPEXHMKQVMXEAW-SNVBAGLBSA-N 0 0 190.202 1.428 10 0 ADAERN CC(C)(C)n1[nH]c(=O)c2c1COCC2 257812969 573436069 /nfs/dbraw/zinc/43/60/69/573436069.db2.gz BYUIQAKTPJRDRI-UHFFFAOYSA-N 0 0 196.250 1.416 10 0 ADAERN COC(=O)[C@@H](F)CC1CCC1 258652378 573436150 /nfs/dbraw/zinc/43/61/50/573436150.db2.gz ZQZSFCWNIDYUHJ-ZETCQYMHSA-N 0 0 160.188 1.688 10 0 ADAERN O[C@@H]1CC[C@H]2OC(C3CC3)=N[C@H]2C1 258021304 573436088 /nfs/dbraw/zinc/43/60/88/573436088.db2.gz PWHUNSHXLNATAP-HRDYMLBCSA-N 0 0 181.235 1.107 10 0 ADAERN C[C@H](O)[C@H](C)S[C@H]1CCC[C@@H]1O 235594980 573436151 /nfs/dbraw/zinc/43/61/51/573436151.db2.gz OPBBQCFLFRBRNT-JBDRJPRFSA-N 0 0 190.308 1.402 10 0 ADAERN CC[C@@H](C)C(=O)CN1C(=O)CC[C@@H]1C 308582151 573436107 /nfs/dbraw/zinc/43/61/07/573436107.db2.gz PXBLYUOSRZLFIS-BDAKNGLRSA-N 0 0 197.278 1.613 10 0 ADAERN C[C@]1(/C=C/CO)COC2(CCCC2)O1 210224292 573436116 /nfs/dbraw/zinc/43/61/16/573436116.db2.gz MPVULEKZCZRIDX-YEZKRMTDSA-N 0 0 198.262 1.611 10 0 ADAERN CC(=O)[C@H]1C[C@H]2C=C[C@@H]1[C@@H]2C(C)=O 144278800 573436127 /nfs/dbraw/zinc/43/61/27/573436127.db2.gz IYPHHLPCGSPCBO-LMLFDSFASA-N 0 0 178.231 1.603 10 0 ADAERN OCC[C@@H]1CSCC1(F)F 258652263 573436130 /nfs/dbraw/zinc/43/61/30/573436130.db2.gz ZPFABRJURONUAB-RXMQYKEDSA-N 0 0 168.208 1.367 10 0 ADAERN COc1ccc(N)cc1N1CC=CC1 118881829 573436140 /nfs/dbraw/zinc/43/61/40/573436140.db2.gz DFWHKTDCQWUHAT-UHFFFAOYSA-N 0 0 190.246 1.654 10 0 ADAERN CC(C)[C@H]1CC=C(COC=O)[C@@H](O)C1 308582663 573436183 /nfs/dbraw/zinc/43/61/83/573436183.db2.gz KSGAAHYHLWJLQI-ONGXEEELSA-N 0 0 198.262 1.513 10 0 ADAERN COC(=O)c1c(C(C)C)noc1C 144245221 573439184 /nfs/dbraw/zinc/43/91/84/573439184.db2.gz WFGGGKFGWIJSSK-UHFFFAOYSA-N 0 0 183.207 1.893 10 0 ADAERN O=C1NNC[C@H](c2ccc(F)cc2)O1 257813007 573436821 /nfs/dbraw/zinc/43/68/21/573436821.db2.gz CABQFQKXXXUYMJ-MRVPVSSYSA-N 0 0 196.181 1.111 10 0 ADAERN C[C@@H]1[C@H](C(=O)[O-])CCC[N@@H+]1C1CC1 107230614 573436601 /nfs/dbraw/zinc/43/66/01/573436601.db2.gz LOFALCBNCQPIEC-VXNVDRBHSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H](CO)c1ccc2c(c1O)OCO2 258021830 573436608 /nfs/dbraw/zinc/43/66/08/573436608.db2.gz IKHVODCNGPJUDC-ZCFIWIBFSA-N 0 0 196.202 1.217 10 0 ADAERN COC(=O)C(F)(F)[C@H]1CCSC1 257812937 573436612 /nfs/dbraw/zinc/43/66/12/573436612.db2.gz BYGBKAGHPRXJCG-YFKPBYRVSA-N 0 0 196.218 1.548 10 0 ADAERN CCCCC[C@@H](O)[C@@H](F)C(=O)OC 238215896 573436622 /nfs/dbraw/zinc/43/66/22/573436622.db2.gz MPJOGNAACIOFSH-HTQZYQBOSA-N 0 0 192.230 1.439 10 0 ADAERN OC/C=C\C[C@@H]1CCCOC1 258344414 573436626 /nfs/dbraw/zinc/43/66/26/573436626.db2.gz XXWXFCDQQICGAZ-JKERVTFKSA-N 0 0 156.225 1.352 10 0 ADAERN C[C@@H]1[NH2+]Cc2cccc(C(=O)[O-])c21 238396374 573436644 /nfs/dbraw/zinc/43/66/44/573436644.db2.gz UMJWKAFSCFEGCB-LURJTMIESA-N 0 0 177.203 1.549 10 0 ADAERN O[C@@H]1CCCC[C@@H]1c1ccnnc1 144297838 573436829 /nfs/dbraw/zinc/43/68/29/573436829.db2.gz JEXOULDSEOUXQQ-NXEZZACHSA-N 0 0 178.235 1.495 10 0 ADAERN O=C1C[C@@H](C2(CO)CCCC2)CCN1 215211244 573436658 /nfs/dbraw/zinc/43/66/58/573436658.db2.gz KYAKIFLGXIMYLL-VIFPVBQESA-N 0 0 197.278 1.065 10 0 ADAERN COC(=O)c1ccc(O)cc1N=O 238395840 573436659 /nfs/dbraw/zinc/43/66/59/573436659.db2.gz LLOUHZMQHRFYOH-UHFFFAOYSA-N 0 0 181.147 1.577 10 0 ADAERN CC1=C[C@@H](C(C)C)NC(=O)C1 209920262 573436799 /nfs/dbraw/zinc/43/67/99/573436799.db2.gz DVPJXIUIIAMUIB-QMMMGPOBSA-N 0 0 153.225 1.477 10 0 ADAERN COc1cc(CO)c(C)c(N)c1OC 257813316 573436730 /nfs/dbraw/zinc/43/67/30/573436730.db2.gz CBYWFKFLSLGNLY-UHFFFAOYSA-N 0 0 197.234 1.087 10 0 ADAERN C[C@@]1(CC(=O)[O-])CCCC[NH2+]C1 258022252 573436731 /nfs/dbraw/zinc/43/67/31/573436731.db2.gz OFVXAVQWSQNZLF-VIFPVBQESA-N 0 0 171.240 1.241 10 0 ADAERN COc1cccc2c1NC[C@H](OC)C2 257812859 573436737 /nfs/dbraw/zinc/43/67/37/573436737.db2.gz BWVFFTBTDVRFQE-SECBINFHSA-N 0 0 193.246 1.678 10 0 ADAERN COc1[nH]c(=O)cc(O)c1C(F)F 238395711 573436833 /nfs/dbraw/zinc/43/68/33/573436833.db2.gz UNYLYFRMANSUIQ-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN CC[C@@H](NC(=O)NC)C(C)(C)C 144272828 573436755 /nfs/dbraw/zinc/43/67/55/573436755.db2.gz NAPQJBCJQPNYPD-SSDOTTSWSA-N 0 0 172.272 1.740 10 0 ADAERN O=C1NOC[C@H](C2CCCCC2)O1 257812664 573436759 /nfs/dbraw/zinc/43/67/59/573436759.db2.gz BRLQVGDHWWVLGX-MRVPVSSYSA-N 0 0 185.223 1.607 10 0 ADAERN C1CO[C@H](c2onc3c2CCNC3)C1 107235003 573436764 /nfs/dbraw/zinc/43/67/64/573436764.db2.gz TXISKRKXTYNVGQ-VIFPVBQESA-N 0 0 194.234 1.172 10 0 ADAERN Nc1ccc([C@]2(O)CCCOC2)cc1 257813299 573436767 /nfs/dbraw/zinc/43/67/67/573436767.db2.gz CBKBRDGCVZEXQJ-NSHDSACASA-N 0 0 193.246 1.267 10 0 ADAERN Cc1ccc2c(c1)CCOC2=O 144286680 573436787 /nfs/dbraw/zinc/43/67/87/573436787.db2.gz QDZKTNOWBCGTBW-UHFFFAOYSA-N 0 0 162.188 1.708 10 0 ADAERN CC(C)CC1=N[C@@H]2C[C@@H](O)CC[C@@H]2O1 258021403 573436790 /nfs/dbraw/zinc/43/67/90/573436790.db2.gz PYWFVEIHIJSLON-AEJSXWLSSA-N 0 0 197.278 1.743 10 0 ADAERN CCCC[C@H](F)C(F)(F)C(N)=O 238215895 573436792 /nfs/dbraw/zinc/43/67/92/573436792.db2.gz OSMMPPJHBFIPJV-YFKPBYRVSA-N 0 0 183.173 1.635 10 0 ADAERN C[C@H]1C[C@@H]1C1=NC(=O)CN1C 235596502 573436795 /nfs/dbraw/zinc/43/67/95/573436795.db2.gz KXCRWOSQEQXFNK-WDSKDSINSA-N 0 0 152.197 1.249 10 0 ADAERN O=C(NCc1cc[nH]c1)C1CC1 74988901 573440265 /nfs/dbraw/zinc/44/02/65/573440265.db2.gz HEVZZTSRHOVTQS-UHFFFAOYSA-N 0 0 164.208 1.041 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](CC(=O)[O-])[C@H]1C 107231608 573440940 /nfs/dbraw/zinc/44/09/40/573440940.db2.gz VISUMLBJRKUMBC-BDAKNGLRSA-N 0 0 185.267 1.580 10 0 ADAERN O=C1NCCC[C@H]1C1(CO)CCCC1 215211319 573437848 /nfs/dbraw/zinc/43/78/48/573437848.db2.gz JUTLOPZMMGOFQB-SECBINFHSA-N 0 0 197.278 1.065 10 0 ADAERN CC(=O)[C@@H](F)Cc1ccccc1O 257812706 573437870 /nfs/dbraw/zinc/43/78/70/573437870.db2.gz BTBGZFGVYDDZKG-VIFPVBQESA-N 0 0 182.194 1.862 10 0 ADAERN C[C@H](O)Cc1cccc(C2(O)CC2)c1 259448155 573437353 /nfs/dbraw/zinc/43/73/53/573437353.db2.gz MIXBFWYYTGULRU-VIFPVBQESA-N 0 0 192.258 1.591 10 0 ADAERN COc1cc(N)ccc1OCCCO 50505595 573437361 /nfs/dbraw/zinc/43/73/61/573437361.db2.gz UGEDQIIKGWNELY-UHFFFAOYSA-N 0 0 197.234 1.039 10 0 ADAERN Cc1nc(N)c2c(C(C)C)[nH]nc2n1 257812932 573437372 /nfs/dbraw/zinc/43/73/72/573437372.db2.gz BYEPPUYZIMICKI-UHFFFAOYSA-N 0 0 191.238 1.367 10 0 ADAERN Cc1noc(C(=O)[O-])c1[C@H]1CCC[NH2+]1 257813307 573437379 /nfs/dbraw/zinc/43/73/79/573437379.db2.gz CBRLHHVXFVEJMN-ZCFIWIBFSA-N 0 0 196.206 1.106 10 0 ADAERN COc1cc(O)cc2c1CCC2=O 238395500 573437417 /nfs/dbraw/zinc/43/74/17/573437417.db2.gz ALMYGSMQNPYOBO-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN CCCCN1C(=O)[C@@H](CC)N[C@@H]1C 138076760 573437439 /nfs/dbraw/zinc/43/74/39/573437439.db2.gz ZIRIHIIXLDRREZ-DTWKUNHWSA-N 0 0 184.283 1.343 10 0 ADAERN COC(=O)c1cc2oncc2cn1 238396422 573438583 /nfs/dbraw/zinc/43/85/83/573438583.db2.gz ACLCXVTWZOGEBN-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN CCCCN1C(=O)C2(CC2)N[C@H]1CC 138117831 573440988 /nfs/dbraw/zinc/44/09/88/573440988.db2.gz PQFGGTURBLCZCU-SECBINFHSA-N 0 0 196.294 1.487 10 0 ADAERN COc1nc(=O)[nH]c2c1CCCCC2 257812901 573437502 /nfs/dbraw/zinc/43/75/02/573437502.db2.gz BXPPQFYAVPYZJR-UHFFFAOYSA-N 0 0 194.234 1.460 10 0 ADAERN O=C1CCNc2cc(Cl)ncc2N1 257812610 573437524 /nfs/dbraw/zinc/43/75/24/573437524.db2.gz BVUYNLSVPZHZPK-UHFFFAOYSA-N 0 0 197.625 1.489 10 0 ADAERN COc1cc2c(cc1C=O)C=CCO2 238395615 573437528 /nfs/dbraw/zinc/43/75/28/573437528.db2.gz ZFKSZYKSZQIRTM-UHFFFAOYSA-N 0 0 190.198 1.913 10 0 ADAERN CC[C@H](C)C(=O)CN1C(=O)CC[C@@H]1C 308582153 573437533 /nfs/dbraw/zinc/43/75/33/573437533.db2.gz PXBLYUOSRZLFIS-IUCAKERBSA-N 0 0 197.278 1.613 10 0 ADAERN Nc1nnnn1C1CCCCCC1 86456789 573437548 /nfs/dbraw/zinc/43/75/48/573437548.db2.gz CQKCTTMSVVXFTB-UHFFFAOYSA-N 0 0 181.243 1.151 10 0 ADAERN O[C@@H]1CC[C@@H]2OC(C3CC3)=N[C@@H]2C1 258021301 573437557 /nfs/dbraw/zinc/43/75/57/573437557.db2.gz PWHUNSHXLNATAP-HLTSFMKQSA-N 0 0 181.235 1.107 10 0 ADAERN C[C@@H](O)c1cc2ccsc2c(=O)o1 238395237 573437565 /nfs/dbraw/zinc/43/75/65/573437565.db2.gz AHHALGKKKGKJPU-RXMQYKEDSA-N 0 0 196.227 1.908 10 0 ADAERN Cc1ccc2c(c1)CC[C@@](O)(CO)C2 257812955 573437576 /nfs/dbraw/zinc/43/75/76/573437576.db2.gz BYLNMFYKUMCUDW-LBPRGKRZSA-N 0 0 192.258 1.207 10 0 ADAERN CC(=O)C[C@H](C)[C@@H]1O[C@@H]1C 238395596 573437595 /nfs/dbraw/zinc/43/75/95/573437595.db2.gz HOSLJWVEABRSBH-ARDNSNSESA-N 0 0 142.198 1.389 10 0 ADAERN CC[C@H](O)c1ccc(O)c(N)c1 83163440 573437596 /nfs/dbraw/zinc/43/75/96/573437596.db2.gz PBABPXABJWEHOB-QMMMGPOBSA-N 0 0 167.208 1.418 10 0 ADAERN O=C([S-])CC[C@H]1CCC[NH2+]C1 258022097 573437609 /nfs/dbraw/zinc/43/76/09/573437609.db2.gz RPTRLZXURNCXQE-SSDOTTSWSA-N 0 0 173.281 1.223 10 0 ADAERN C[C@@H]1[NH2+]Cc2c(C(=O)[O-])cccc21 238395759 573437627 /nfs/dbraw/zinc/43/76/27/573437627.db2.gz WOJKFPMJXJHFFR-LURJTMIESA-N 0 0 177.203 1.549 10 0 ADAERN C[C@H](O)[C@H](F)C[C@H]1CCSC1 257812744 573437646 /nfs/dbraw/zinc/43/76/46/573437646.db2.gz BUMPQTLYZIOWMY-XLPZGREQSA-N 0 0 178.272 1.849 10 0 ADAERN COC(=O)c1cc2oncc2cc1C 238396330 573437650 /nfs/dbraw/zinc/43/76/50/573437650.db2.gz VAVSCGVPXUOASL-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN C[C@H]1CN(c2ccccc2N)C(=O)O1 257813318 573437666 /nfs/dbraw/zinc/43/76/66/573437666.db2.gz CCAQOCJYSDOZKS-ZETCQYMHSA-N 0 0 192.218 1.614 10 0 ADAERN O[C@@H]1Cc2c(Cl)cccc21 258655632 573437676 /nfs/dbraw/zinc/43/76/76/573437676.db2.gz ZXGPXMOKTOILFS-MRVPVSSYSA-N 0 0 154.596 1.930 10 0 ADAERN O=Cc1noc2c1CCC2(F)F 257813177 573437684 /nfs/dbraw/zinc/43/76/84/573437684.db2.gz CAIQFBAJHLNMOU-UHFFFAOYSA-N 0 0 173.118 1.525 10 0 ADAERN CCOC(=O)C[C@H](O)[C@@]1(C)C[C@@H]1C 714694079 573437690 /nfs/dbraw/zinc/43/76/90/573437690.db2.gz VQOUIGPEELCAJV-NRPADANISA-N 0 0 186.251 1.347 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@@H]1CCSC1 257812742 573437691 /nfs/dbraw/zinc/43/76/91/573437691.db2.gz BUMPQTLYZIOWMY-FXQIFTODSA-N 0 0 178.272 1.849 10 0 ADAERN OCCCc1cccc2cnoc12 258021929 573437700 /nfs/dbraw/zinc/43/77/00/573437700.db2.gz OCZMNVNKZMGFGH-UHFFFAOYSA-N 0 0 177.203 1.753 10 0 ADAERN CC(C)C1C(=O)C=NN1C 258652223 573437707 /nfs/dbraw/zinc/43/77/07/573437707.db2.gz ZOMSWRZWWFPHAW-UHFFFAOYSA-N 0 0 140.186 1.249 10 0 ADAERN CCCC[C@H]1NCN(CCCC)C1=O 138110165 573438987 /nfs/dbraw/zinc/43/89/87/573438987.db2.gz DIUDZBHDKRHTQL-SNVBAGLBSA-N 0 0 198.310 1.735 10 0 ADAERN O=C([O-])[C@H]1CCC[N@@H+](C2CC2)CC1 107230607 573437715 /nfs/dbraw/zinc/43/77/15/573437715.db2.gz IXBOEZLASOPFOZ-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@@]1(c2ccccc2O)COC(=O)C1 257812603 573437718 /nfs/dbraw/zinc/43/77/18/573437718.db2.gz BVTJLGKEIMFDPN-NSHDSACASA-N 0 0 192.214 1.597 10 0 ADAERN O=C1CCC[C@H](C2(CO)CCCC2)N1 215211011 573437719 /nfs/dbraw/zinc/43/77/19/573437719.db2.gz PTQNXXCNIRMTPI-SECBINFHSA-N 0 0 197.278 1.208 10 0 ADAERN C[C@]1(c2ccccc2O)COC(=O)C1 257812602 573437723 /nfs/dbraw/zinc/43/77/23/573437723.db2.gz BVTJLGKEIMFDPN-LLVKDONJSA-N 0 0 192.214 1.597 10 0 ADAERN C[C@H]1[C@H](C(=O)[O-])CCC[N@@H+]1C1CC1 107230617 573437724 /nfs/dbraw/zinc/43/77/24/573437724.db2.gz LOFALCBNCQPIEC-IONNQARKSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1COc2c(C=O)cccc2O1 257813137 573437730 /nfs/dbraw/zinc/43/77/30/573437730.db2.gz BYHDRKHAKRXLQI-SSDOTTSWSA-N 0 0 178.187 1.659 10 0 ADAERN COc1cc(O)cc2cccnc12 238396190 573437737 /nfs/dbraw/zinc/43/77/37/573437737.db2.gz SVTLYURIPVMWRL-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN CC[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1C1CC1 107230604 573437740 /nfs/dbraw/zinc/43/77/40/573437740.db2.gz OLONEOYHMCBALZ-IUCAKERBSA-N 0 0 183.251 1.334 10 0 ADAERN CC(=O)c1ccnn1[C@H]1CCSC1 257813023 573437764 /nfs/dbraw/zinc/43/77/64/573437764.db2.gz CAKOAUXFCYMEGS-QMMMGPOBSA-N 0 0 196.275 1.764 10 0 ADAERN O=C1C[C@H](C2(CO)CCCC2)CCN1 215211201 573437769 /nfs/dbraw/zinc/43/77/69/573437769.db2.gz KYAKIFLGXIMYLL-SECBINFHSA-N 0 0 197.278 1.065 10 0 ADAERN Cc1cc(CC(=O)NC2CC2)c(C)[nH]1 74975528 573437772 /nfs/dbraw/zinc/43/77/72/573437772.db2.gz INMIGITUNVPUAI-UHFFFAOYSA-N 0 0 192.262 1.453 10 0 ADAERN FC(F)(F)c1ncnc2c1CNC2 107232943 573437787 /nfs/dbraw/zinc/43/77/87/573437787.db2.gz SUTBZOYQJCYBDW-UHFFFAOYSA-N 0 0 189.140 1.099 10 0 ADAERN Cc1cccc(-c2n[nH]nc2CO)c1 258021861 573437790 /nfs/dbraw/zinc/43/77/90/573437790.db2.gz AJKYDKJEDHVZGK-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN COC(=O)[C@H](F)CC1CCC1 258652373 573437792 /nfs/dbraw/zinc/43/77/92/573437792.db2.gz ZQZSFCWNIDYUHJ-SSDOTTSWSA-N 0 0 160.188 1.688 10 0 ADAERN CCO[C@@H](c1ccccc1)[C@@H](C)NN 126200513 573437797 /nfs/dbraw/zinc/43/77/97/573437797.db2.gz SRJYVXCDBVKUCI-MWLCHTKSSA-N 0 0 194.278 1.616 10 0 ADAERN CCCCN1C(=O)CN[C@@H]1CC(C)C 138056200 573437800 /nfs/dbraw/zinc/43/78/00/573437800.db2.gz BJLWEDPGFKFYCI-JTQLQIEISA-N 0 0 198.310 1.591 10 0 ADAERN CC(C)(O)Cc1cccc2c1CCO2 258021616 573437811 /nfs/dbraw/zinc/43/78/11/573437811.db2.gz YMXSSCQMKLJUAG-UHFFFAOYSA-N 0 0 192.258 1.935 10 0 ADAERN COc1ccc2nnc(C3CC3)n2c1 258020472 573437818 /nfs/dbraw/zinc/43/78/18/573437818.db2.gz QVOQMHMNWPZOEK-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN COc1cc(O)cc2ncn(C)c12 238396261 573437838 /nfs/dbraw/zinc/43/78/38/573437838.db2.gz UASOZWNASMWQQN-UHFFFAOYSA-N 0 0 178.191 1.288 10 0 ADAERN CC[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1C1CC1 107230598 573437853 /nfs/dbraw/zinc/43/78/53/573437853.db2.gz OLONEOYHMCBALZ-RKDXNWHRSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CCCC[C@H]1n1nnnc1N 86456687 573437866 /nfs/dbraw/zinc/43/78/66/573437866.db2.gz NTHQAVAHDGTNCB-RNFRBKRXSA-N 0 0 181.243 1.007 10 0 ADAERN Nc1cccc2c1[C@H](CO)CCO2 257812760 573437912 /nfs/dbraw/zinc/43/79/12/573437912.db2.gz BVEYUJNXDCYUQE-ZETCQYMHSA-N 0 0 179.219 1.127 10 0 ADAERN CCCCN1CN[C@@](C)(CC)C1=O 138032523 573437923 /nfs/dbraw/zinc/43/79/23/573437923.db2.gz CAZBJZUJTWIYQB-JTQLQIEISA-N 0 0 184.283 1.345 10 0 ADAERN CC(=O)C[C@H](C)SC(C)=O 238395211 573437926 /nfs/dbraw/zinc/43/79/26/573437926.db2.gz GCNYBUXZYSTHBG-LURJTMIESA-N 0 0 160.238 1.634 10 0 ADAERN 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171.196 1.217 10 0 ADAERN O=C1CCC[C@@H](C2(CO)CCCC2)N1 215210962 573438288 /nfs/dbraw/zinc/43/82/88/573438288.db2.gz PTQNXXCNIRMTPI-VIFPVBQESA-N 0 0 197.278 1.208 10 0 ADAERN CO[C@@H]1CC=C(C)[C@H](O)C1 238396251 573438293 /nfs/dbraw/zinc/43/82/93/573438293.db2.gz YRTMQIRDECMVSH-HTQZYQBOSA-N 0 0 142.198 1.102 10 0 ADAERN CCCCN1C(=O)[C@H](C)N[C@H]1C(C)C 138073127 573438308 /nfs/dbraw/zinc/43/83/08/573438308.db2.gz WXPSHPPMXBBUDY-VHSXEESVSA-N 0 0 198.310 1.589 10 0 ADAERN COc1ccc(CO)cc1C(C)=O 238395287 573438312 /nfs/dbraw/zinc/43/83/12/573438312.db2.gz NZMMPIDVQHGMTJ-UHFFFAOYSA-N 0 0 180.203 1.390 10 0 ADAERN CCCCN1C(=O)[C@H](CC)N[C@@H]1C 138076974 573438327 /nfs/dbraw/zinc/43/83/27/573438327.db2.gz ZIRIHIIXLDRREZ-IUCAKERBSA-N 0 0 184.283 1.343 10 0 ADAERN C[C@@H](O)C[C@@H](O)C[Si](C)(C)C 238395689 573438354 /nfs/dbraw/zinc/43/83/54/573438354.db2.gz TZVRIBAMBJKFNF-HTQZYQBOSA-N 0 0 176.332 1.456 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1C[NH2+]C1CCCC1 258655717 573438366 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/nfs/dbraw/zinc/43/87/12/573438712.db2.gz KSGAAHYHLWJLQI-KOLCDFICSA-N 0 0 198.262 1.513 10 0 ADAERN O=C1CCc2cc(O)ccc2C12CC2 259449467 573438729 /nfs/dbraw/zinc/43/87/29/573438729.db2.gz VGIFDEKBYTXKPX-UHFFFAOYSA-N 0 0 188.226 1.939 10 0 ADAERN Cc1cccc2c1C[C@](C)(O)CN2 257813151 573438773 /nfs/dbraw/zinc/43/87/73/573438773.db2.gz BYYMWDAFPJCTAD-NSHDSACASA-N 0 0 177.247 1.714 10 0 ADAERN CC(C)(C)Cn1ncc(CCO)c1N 258021340 573438777 /nfs/dbraw/zinc/43/87/77/573438777.db2.gz PXGOITRLDGVYRI-UHFFFAOYSA-N 0 0 197.282 1.046 10 0 ADAERN O=C1NOC[C@@H](C2CCCCC2)O1 257812665 573438780 /nfs/dbraw/zinc/43/87/80/573438780.db2.gz BRLQVGDHWWVLGX-QMMMGPOBSA-N 0 0 185.223 1.607 10 0 ADAERN CCCn1nnc2cccnc21 258652282 573438796 /nfs/dbraw/zinc/43/87/96/573438796.db2.gz WZOJSQJXWIFAMH-UHFFFAOYSA-N 0 0 162.196 1.236 10 0 ADAERN C[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C(N)=O)C2 238395074 573438823 /nfs/dbraw/zinc/43/88/23/573438823.db2.gz GXFYMLIASZNCKN-SOCHQFKDSA-N 0 0 181.279 1.934 10 0 ADAERN COc1cc(O)cc2c1[C@@H](C)CO2 238395787 573438830 /nfs/dbraw/zinc/43/88/30/573438830.db2.gz KBWBSMYTRVSFMH-LURJTMIESA-N 0 0 180.203 1.897 10 0 ADAERN CO[C@@](C)(CO)Cc1ccccc1O 257813284 573438859 /nfs/dbraw/zinc/43/88/59/573438859.db2.gz CAWYNBLRTJJGHU-LLVKDONJSA-N 0 0 196.246 1.332 10 0 ADAERN COc1cc(C=O)c2c(c1)OCCO2 238395808 573438869 /nfs/dbraw/zinc/43/88/69/573438869.db2.gz JITICCJQPSXHOI-UHFFFAOYSA-N 0 0 194.186 1.279 10 0 ADAERN Cc1cc(CC(=O)NC(C)C)c(C)[nH]1 74975526 573438879 /nfs/dbraw/zinc/43/88/79/573438879.db2.gz AUOZVMHXVSQRPK-UHFFFAOYSA-N 0 0 194.278 1.699 10 0 ADAERN CS[C@H]1C[C@@H]2C[C@H]1[C@H](C(N)=O)C2 238396127 573438908 /nfs/dbraw/zinc/43/89/08/573438908.db2.gz NTHFNYDLGJPRDH-CWKFCGSDSA-N 0 0 185.292 1.249 10 0 ADAERN Cn1cnc(COc2ccccc2)c1 258344765 573438910 /nfs/dbraw/zinc/43/89/10/573438910.db2.gz XZZATFCMRIYHGW-UHFFFAOYSA-N 0 0 188.230 1.999 10 0 ADAERN C[C@H]1CCC[C@H](n2nnnc2N)C1 86456797 573438916 /nfs/dbraw/zinc/43/89/16/573438916.db2.gz WBKOYVRKNJZGSJ-BQBZGAKWSA-N 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RWGWQTMPUFFYHH-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN O[C@@H]1CC[C@@H]2OC(C3CC3)=N[C@H]2C1 258021310 573439014 /nfs/dbraw/zinc/43/90/14/573439014.db2.gz PWHUNSHXLNATAP-VGMNWLOBSA-N 0 0 181.235 1.107 10 0 ADAERN O[C@@H](Cc1ccoc1)[C@@H]1CCCCO1 124357473 573439016 /nfs/dbraw/zinc/43/90/16/573439016.db2.gz FBAJKZBCLPMLGT-QWRGUYRKSA-N 0 0 196.246 1.752 10 0 ADAERN Cn1ncc(C=O)c1[C@H]1CCCCO1 257813292 573439033 /nfs/dbraw/zinc/43/90/33/573439033.db2.gz CBHNSUBQZDCUHV-SECBINFHSA-N 0 0 194.234 1.474 10 0 ADAERN C[C@H](O)[C@H](F)C[C@@H]1CCSC1 257812741 573439047 /nfs/dbraw/zinc/43/90/47/573439047.db2.gz BUMPQTLYZIOWMY-BIIVOSGPSA-N 0 0 178.272 1.849 10 0 ADAERN CCCCN1C(=O)[C@@H](CC)N[C@@H]1CC 138063449 573441250 /nfs/dbraw/zinc/44/12/50/573441250.db2.gz PNEMMDUESQVXEF-ZJUUUORDSA-N 0 0 198.310 1.733 10 0 ADAERN CC[NH2+]C[C@@]1(F)CC[C@H](C(=O)[O-])C1 257812631 573439103 /nfs/dbraw/zinc/43/91/03/573439103.db2.gz BWIVUGNNKCOIFP-IONNQARKSA-N 0 0 189.230 1.189 10 0 ADAERN O=C1CCNN1CC1CCCCCC1 257812983 573439143 /nfs/dbraw/zinc/43/91/43/573439143.db2.gz BZDYYHXLFWYDIU-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN COc1ccc(CO)nc1C(F)F 238396247 573439211 /nfs/dbraw/zinc/43/92/11/573439211.db2.gz HNWHIXQAPIZWMF-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CC[C@](C)(C(=O)[O-])[NH+]1CC=CC1 118912216 573439218 /nfs/dbraw/zinc/43/92/18/573439218.db2.gz LAHCCMQMBKRUJY-SECBINFHSA-N 0 0 169.224 1.112 10 0 ADAERN C[C@@H]1CCCC[C@@H]1n1nnnc1N 86456685 573439253 /nfs/dbraw/zinc/43/92/53/573439253.db2.gz NTHQAVAHDGTNCB-RQJHMYQMSA-N 0 0 181.243 1.007 10 0 ADAERN CCCCN1C(=O)[C@@H](C)N[C@@H]1C(C)C 138073001 573439285 /nfs/dbraw/zinc/43/92/85/573439285.db2.gz WXPSHPPMXBBUDY-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN CC(C)C[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C 257812915 573439291 /nfs/dbraw/zinc/43/92/91/573439291.db2.gz AQJZVZVOZRDPMG-ZJUUUORDSA-N 0 0 199.294 1.828 10 0 ADAERN COc1cc(O)cc2c1CCC(=O)O2 238395622 573439295 /nfs/dbraw/zinc/43/92/95/573439295.db2.gz ILQWPLQONWTZML-UHFFFAOYSA-N 0 0 194.186 1.252 10 0 ADAERN Nc1ccc2ccc(Cl)cn2c1=O 258021096 573439330 /nfs/dbraw/zinc/43/93/30/573439330.db2.gz HYZBHVSVODCTGS-UHFFFAOYSA-N 0 0 194.621 1.535 10 0 ADAERN Nc1c2c(nn1C1CCCC1)CNC2 257812862 573439332 /nfs/dbraw/zinc/43/93/32/573439332.db2.gz BWWDEEPZBVCNBP-UHFFFAOYSA-N 0 0 192.266 1.184 10 0 ADAERN CO[C@H]1CCC[C@]2(CCC2=O)C1 238395644 573439344 /nfs/dbraw/zinc/43/93/44/573439344.db2.gz JBIUYLNRTKOIQM-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN CO[C@@H]1C=C2[C@@H](CCC1)CC[C@H]2O 238395612 573439353 /nfs/dbraw/zinc/43/93/53/573439353.db2.gz JHVTZWGODRAWDE-ATZCPNFKSA-N 0 0 182.263 1.883 10 0 ADAERN CCCCN1C(=O)[C@@H](CCC)N[C@@H]1C 138064088 573439391 /nfs/dbraw/zinc/43/93/91/573439391.db2.gz OLPKNJLHROZHJY-VHSXEESVSA-N 0 0 198.310 1.733 10 0 ADAERN COc1ccc2c(c1Cl)CNC2=O 238395196 573439407 /nfs/dbraw/zinc/43/94/07/573439407.db2.gz PMHKHCLKYSEKTP-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN COC(=O)c1cc2oncc2cc1F 238396380 573439413 /nfs/dbraw/zinc/43/94/13/573439413.db2.gz QKCXPATUZRCJRU-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN [NH3+][C@H](/C=C/c1ccc(F)cc1)C(=O)[O-] 257812560 573439417 /nfs/dbraw/zinc/43/94/17/573439417.db2.gz BTYHDJXBRXYQMR-BSPAPZMXSA-N 0 0 195.193 1.251 10 0 ADAERN CC(=O)OC[C@@]1(C)CCC=C(CO)C1 308582326 573439466 /nfs/dbraw/zinc/43/94/66/573439466.db2.gz KLBSJOGKFNCMTM-NSHDSACASA-N 0 0 198.262 1.658 10 0 ADAERN Cc1cccc2c1[C@@H](CCO)CO2 258344744 573439471 /nfs/dbraw/zinc/43/94/71/573439471.db2.gz XZWUWOHMXKOSIS-VIFPVBQESA-N 0 0 178.231 1.853 10 0 ADAERN COc1cccc2c1NC[C@@H](OC)C2 257812861 573439476 /nfs/dbraw/zinc/43/94/76/573439476.db2.gz BWVFFTBTDVRFQE-VIFPVBQESA-N 0 0 193.246 1.678 10 0 ADAERN CCC[C@](C)(F)c1cc(=O)[nH]cn1 144238125 573440245 /nfs/dbraw/zinc/44/02/45/573440245.db2.gz GNTILNLLIWUWIG-VIFPVBQESA-N 0 0 184.214 1.755 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H](C(=O)[O-])[C@@H]1C 107231684 573440246 /nfs/dbraw/zinc/44/02/46/573440246.db2.gz QGBPIQCOMUPEBN-DTWKUNHWSA-N 0 0 185.267 1.580 10 0 ADAERN CC1C(=O)CC(C)(C)CC1=O 238395254 573439498 /nfs/dbraw/zinc/43/94/98/573439498.db2.gz DRTSXISPNKGZKB-UHFFFAOYSA-N 0 0 153.201 1.539 10 0 ADAERN CC(C)n1c(C=O)cccc1=O 258652260 573439524 /nfs/dbraw/zinc/43/95/24/573439524.db2.gz ZOYJQJVNIQEMIB-UHFFFAOYSA-N 0 0 165.192 1.242 10 0 ADAERN CCCCN1CN[C@@H](C(C)C)C1=O 138096972 573440248 /nfs/dbraw/zinc/44/02/48/573440248.db2.gz GHNXNVGSWCWION-VIFPVBQESA-N 0 0 184.283 1.200 10 0 ADAERN CC[NH2+]C[C@@]1(F)CC[C@@H](C(=O)[O-])C1 257812632 573439538 /nfs/dbraw/zinc/43/95/38/573439538.db2.gz BWIVUGNNKCOIFP-VXNVDRBHSA-N 0 0 189.230 1.189 10 0 ADAERN CCOC(=O)C[C@H](O)[C@]1(C)C[C@H]1C 714694078 573439549 /nfs/dbraw/zinc/43/95/49/573439549.db2.gz VQOUIGPEELCAJV-KHQFGBGNSA-N 0 0 186.251 1.347 10 0 ADAERN CO[C@@H]1CC/C=C/CCC1=O 238396104 573439560 /nfs/dbraw/zinc/43/95/60/573439560.db2.gz LVCQEMYWSQETKI-GKQMSVHHSA-N 0 0 154.209 1.701 10 0 ADAERN Nc1cccc2c1[C@@H](CO)CCO2 257812759 573439589 /nfs/dbraw/zinc/43/95/89/573439589.db2.gz BVEYUJNXDCYUQE-SSDOTTSWSA-N 0 0 179.219 1.127 10 0 ADAERN CC(C)(C)[C@@H]1CC(C=O)=NO1 258652183 573439591 /nfs/dbraw/zinc/43/95/91/573439591.db2.gz ZNZUQFQRMDASJS-ZETCQYMHSA-N 0 0 155.197 1.376 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)c1cccs1 83152398 573439596 /nfs/dbraw/zinc/43/95/96/573439596.db2.gz DPJQAFBXNPCGQW-ZCFIWIBFSA-N 0 0 197.259 1.455 10 0 ADAERN CS[C@H]1C[C@@](C)(O)CCC1=O 238396141 573439603 /nfs/dbraw/zinc/43/96/03/573439603.db2.gz JESDBXSZMPAPII-YUMQZZPRSA-N 0 0 174.265 1.222 10 0 ADAERN CC(=O)[C@H](C)NC(=O)c1cccs1 83152397 573439612 /nfs/dbraw/zinc/43/96/12/573439612.db2.gz DPJQAFBXNPCGQW-LURJTMIESA-N 0 0 197.259 1.455 10 0 ADAERN CC(=O)Cc1nc2cc(C)ccn2n1 259451794 573439613 /nfs/dbraw/zinc/43/96/13/573439613.db2.gz KOSRESNIJPVBND-UHFFFAOYSA-N 0 0 189.218 1.169 10 0 ADAERN C=CO[C@@H](C)CC(C)=O 238395062 573439638 /nfs/dbraw/zinc/43/96/38/573439638.db2.gz IGPLHHQXWKTVJR-ZETCQYMHSA-N 0 0 128.171 1.514 10 0 ADAERN COC(=O)c1ccc(F)c2c1CCN2 257812599 573439639 /nfs/dbraw/zinc/43/96/39/573439639.db2.gz BVQXQBUJWKKOSZ-UHFFFAOYSA-N 0 0 195.193 1.580 10 0 ADAERN CC(=O)C[C@H](C)[C@@H]1CCCO1 238395517 573439657 /nfs/dbraw/zinc/43/96/57/573439657.db2.gz VKGDWAOTJQJZGU-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)(C(=O)[O-])C1=CCC[NH2+]C1 258022207 573439677 /nfs/dbraw/zinc/43/96/77/573439677.db2.gz JONQDOKHAAXCFA-UHFFFAOYSA-N 0 0 169.224 1.017 10 0 ADAERN C[C@@H]1CN(c2ccccc2N)C(=O)O1 257813317 573439679 /nfs/dbraw/zinc/43/96/79/573439679.db2.gz CCAQOCJYSDOZKS-SSDOTTSWSA-N 0 0 192.218 1.614 10 0 ADAERN CCCCN1C(=O)CN[C@H]1C(C)C 138082480 573439680 /nfs/dbraw/zinc/43/96/80/573439680.db2.gz RUTVJFZZEXWVEQ-SNVBAGLBSA-N 0 0 184.283 1.200 10 0 ADAERN COC(=O)C(F)(F)[C@@H]1CCSC1 257812935 573439684 /nfs/dbraw/zinc/43/96/84/573439684.db2.gz BYGBKAGHPRXJCG-RXMQYKEDSA-N 0 0 196.218 1.548 10 0 ADAERN CCCCN1C(=O)[C@H](CC)N[C@H]1CC 138063530 573439725 /nfs/dbraw/zinc/43/97/25/573439725.db2.gz PNEMMDUESQVXEF-VHSXEESVSA-N 0 0 198.310 1.733 10 0 ADAERN CC[C@H]1[C@@H](CC(=O)[O-])CCC[N@@H+]1C 107231593 573439735 /nfs/dbraw/zinc/43/97/35/573439735.db2.gz VATGEJQYDDOVFR-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H](CO)c1cc2c(cc1F)OCO2 258021588 573439738 /nfs/dbraw/zinc/43/97/38/573439738.db2.gz IFHHGPVPBNHUAM-ZCFIWIBFSA-N 0 0 198.193 1.650 10 0 ADAERN O[C@H]1Cc2c(Cl)cccc21 258655640 573439777 /nfs/dbraw/zinc/43/97/77/573439777.db2.gz ZXGPXMOKTOILFS-QMMMGPOBSA-N 0 0 154.596 1.930 10 0 ADAERN CCCOCC(=O)COC1CCC1 714938308 573439779 /nfs/dbraw/zinc/43/97/79/573439779.db2.gz PWEXOYFKBZAKHJ-UHFFFAOYSA-N 0 0 186.251 1.551 10 0 ADAERN NOCc1c(O)ccc2c1CCC2 258022008 573439791 /nfs/dbraw/zinc/43/97/91/573439791.db2.gz OEBCELRHOZYGMT-UHFFFAOYSA-N 0 0 179.219 1.271 10 0 ADAERN COC(=O)CCc1c[nH]c(=S)[nH]1 137742312 573439795 /nfs/dbraw/zinc/43/97/95/573439795.db2.gz YROZKJUFWUUCBP-UHFFFAOYSA-N 0 0 186.236 1.178 10 0 ADAERN COc1cc(O)cc2ccc(=O)oc12 238396153 573439797 /nfs/dbraw/zinc/43/97/97/573439797.db2.gz AJYDGGSANZMNNH-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN C[C@@H](O)C[C@@H]1CC(=O)OC1(C)C 238396125 573440257 /nfs/dbraw/zinc/44/02/57/573440257.db2.gz HAGIBPFBIVOSJV-RNFRBKRXSA-N 0 0 172.224 1.099 10 0 ADAERN COc1[nH]c(=O)cc(C(F)F)c1F 238395161 573439814 /nfs/dbraw/zinc/43/98/14/573439814.db2.gz XRTMJKSGVGPCQL-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CC(C)CC1=N[C@@H]2C[C@H](O)CC[C@@H]2O1 258021405 573439817 /nfs/dbraw/zinc/43/98/17/573439817.db2.gz PYWFVEIHIJSLON-BBBLOLIVSA-N 0 0 197.278 1.743 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)C1CCCC1 83152671 573439822 /nfs/dbraw/zinc/43/98/22/573439822.db2.gz YUUTYJYCQZHCNZ-SSDOTTSWSA-N 0 0 183.251 1.270 10 0 ADAERN COc1cc(O)cc2c1[C@H](C)CO2 238395735 573439826 /nfs/dbraw/zinc/43/98/26/573439826.db2.gz KBWBSMYTRVSFMH-ZCFIWIBFSA-N 0 0 180.203 1.897 10 0 ADAERN CCCC(C)(C)NC(=O)CC(C)=O 126221503 573439860 /nfs/dbraw/zinc/43/98/60/573439860.db2.gz GLYVTDPQUABHPA-UHFFFAOYSA-N 0 0 185.267 1.660 10 0 ADAERN CS[C@@H]1C=C[C@H](O)CC1 238395657 573439877 /nfs/dbraw/zinc/43/98/77/573439877.db2.gz RDJZVXTZQOIHNI-NKWVEPMBSA-N 0 0 144.239 1.429 10 0 ADAERN 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/nfs/dbraw/zinc/44/24/07/573442407.db2.gz MQOPVGNBMIOFKC-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN C[C@@H]1CC[C@H](n2nnnc2N)[C@H](C)C1 86457185 573442411 /nfs/dbraw/zinc/44/24/11/573442411.db2.gz BDLQSVXYXMKPHR-PRJMDXOYSA-N 0 0 195.270 1.253 10 0 ADAERN Cc1ccc(NCC2(CO)CC2)nc1 118907546 573442447 /nfs/dbraw/zinc/44/24/47/573442447.db2.gz GSVPVHUJRGLSMH-UHFFFAOYSA-N 0 0 192.262 1.574 10 0 ADAERN Nc1ncc(Cc2ccccn2)o1 258655518 573442453 /nfs/dbraw/zinc/44/24/53/573442453.db2.gz UARVGWVFSWRNFR-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN COc1ccc(CNC(C)=O)cc1C 74986192 573442458 /nfs/dbraw/zinc/44/24/58/573442458.db2.gz GNWZRCDLONOEJX-UHFFFAOYSA-N 0 0 193.246 1.640 10 0 ADAERN C[C@@H]1CCCCC[C@H]1n1nnnc1N 86457272 573442468 /nfs/dbraw/zinc/44/24/68/573442468.db2.gz JJADBQDPOMYWFS-HTQZYQBOSA-N 0 0 195.270 1.397 10 0 ADAERN Cn1ncc2c(Cl)cc(N)cc21 259450874 573442483 /nfs/dbraw/zinc/44/24/83/573442483.db2.gz PXFCCKPSTYTUMU-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN CO[C@@H]1CCC=C([C@@H](O)C(C)C)O1 238397166 573442509 /nfs/dbraw/zinc/44/25/09/573442509.db2.gz WCOLTEGJZCCNAN-UWVGGRQHSA-N 0 0 186.251 1.670 10 0 ADAERN CC1(C)CCC(n2nnnc2N)CC1 86457202 573442529 /nfs/dbraw/zinc/44/25/29/573442529.db2.gz DVESAGOLKBMITM-UHFFFAOYSA-N 0 0 195.270 1.397 10 0 ADAERN CS[C@H]1NC(=O)c2ccccc21 238396505 573442574 /nfs/dbraw/zinc/44/25/74/573442574.db2.gz RRUVWNUDGQVLEW-SECBINFHSA-N 0 0 179.244 1.792 10 0 ADAERN Cc1ccc(NC[C@H](C)CO)c(N)c1 83219640 573442580 /nfs/dbraw/zinc/44/25/80/573442580.db2.gz RSQWELBWJAVXLL-VIFPVBQESA-N 0 0 194.278 1.618 10 0 ADAERN COC(=O)c1cc2sccc2n1N 238396925 573442625 /nfs/dbraw/zinc/44/26/25/573442625.db2.gz MPAMZTIYUBZVKT-UHFFFAOYSA-N 0 0 196.231 1.203 10 0 ADAERN CC(C)(C)C[C@@]1(C(=O)[O-])CCC[NH2+]1 258355758 573442647 /nfs/dbraw/zinc/44/26/47/573442647.db2.gz ZRWCRDHAJFXCQA-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN COC(=O)C[C@@H](C)n1cc(OC)cn1 308587249 573442649 /nfs/dbraw/zinc/44/26/49/573442649.db2.gz MVTHMEJDVJDAMF-SSDOTTSWSA-N 0 0 198.222 1.016 10 0 ADAERN CC[C@@H]1CC[C@H](C(=O)OC2CC2)O1 308390515 573442653 /nfs/dbraw/zinc/44/26/53/573442653.db2.gz ZEZCAWVVDXSPQS-VXNVDRBHSA-N 0 0 184.235 1.650 10 0 ADAERN Cc1cnccc1C(C)(C)O 259451738 573442656 /nfs/dbraw/zinc/44/26/56/573442656.db2.gz VKOOOTNDYLOXMQ-UHFFFAOYSA-N 0 0 151.209 1.617 10 0 ADAERN CO[C@@H]1CCCCC(=O)[C@@H]1C 238397564 573442664 /nfs/dbraw/zinc/44/26/64/573442664.db2.gz KJZTYKDNDJCOBO-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN CCOC(=O)NCc1cc[nH]c1 74988967 573442673 /nfs/dbraw/zinc/44/26/73/573442673.db2.gz NEFKGYWIZHZSIN-UHFFFAOYSA-N 0 0 168.196 1.261 10 0 ADAERN Cc1ccc(CC[C@](C)(O)CO)cc1 257813585 573442679 /nfs/dbraw/zinc/44/26/79/573442679.db2.gz CEVJZFXDVIIWNC-LBPRGKRZSA-N 0 0 194.274 1.671 10 0 ADAERN O=CC=C1CCCN1 100469180 573442686 /nfs/dbraw/zinc/44/26/86/573442686.db2.gz QYMYPKHNUBTYDJ-HYXAFXHYSA-N 0 0 111.144 1.293 10 0 ADAERN CCCC1(C(=O)c2cn(C)nn2)CC1 308586766 573442689 /nfs/dbraw/zinc/44/26/89/573442689.db2.gz SGDBGTLJRFWMMJ-UHFFFAOYSA-N 0 0 193.250 1.578 10 0 ADAERN O=C([O-])C/C=C\C[C@H]1CCC[NH2+]1 258346439 573442691 /nfs/dbraw/zinc/44/26/91/573442691.db2.gz YCNCZODMWAKPBR-JQSQLHRZSA-N 0 0 169.224 1.159 10 0 ADAERN CC(C)OC[C@@H](C)CCO 259451769 573442702 /nfs/dbraw/zinc/44/27/02/573442702.db2.gz VKYIFIWHSPLOBA-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN COc1cnc(C(F)F)c(N)c1F 238397343 573442709 /nfs/dbraw/zinc/44/27/09/573442709.db2.gz JIKRDTXXNCYJAD-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN C[C@H](OC(=O)C1CC(=O)C1)C1CC1 308390183 573442726 /nfs/dbraw/zinc/44/27/26/573442726.db2.gz XQEBGKSTFWDPSO-LURJTMIESA-N 0 0 182.219 1.307 10 0 ADAERN CCc1cc(OC)c(CO)cc1OC 83256224 573442747 /nfs/dbraw/zinc/44/27/47/573442747.db2.gz GOQAAPWSYSMBAY-UHFFFAOYSA-N 0 0 196.246 1.759 10 0 ADAERN C/C=C(\C)C[NH2+][C@@H]1CCCCNC1=O 308586029 573442761 /nfs/dbraw/zinc/44/27/61/573442761.db2.gz IKZCHWSAUICSPS-OTVCUZDGSA-N 0 0 196.294 1.211 10 0 ADAERN CCC[C@@](C)(O)c1cnc(OC)nc1 308587344 573442778 /nfs/dbraw/zinc/44/27/78/573442778.db2.gz MXRVJLNPGUAYOS-SNVBAGLBSA-N 0 0 196.250 1.493 10 0 ADAERN C[C@H](C1CCCCC1)n1nnnc1N 86457095 573442786 /nfs/dbraw/zinc/44/27/86/573442786.db2.gz ISFSKGZKOZXXNE-SSDOTTSWSA-N 0 0 195.270 1.397 10 0 ADAERN OCCc1cc([C@H]2CCCOC2)no1 83187249 573442806 /nfs/dbraw/zinc/44/28/06/573442806.db2.gz NBWXXPCVIAOYAT-QMMMGPOBSA-N 0 0 197.234 1.103 10 0 ADAERN Oc1ccccc1OC[C@@H](O)C1CC1 258355782 573442808 /nfs/dbraw/zinc/44/28/08/573442808.db2.gz RGQPSWDWUGGODR-SNVBAGLBSA-N 0 0 194.230 1.542 10 0 ADAERN CO[C@@H]1CCC(=O)CC[C@H]1OC 238396645 573442821 /nfs/dbraw/zinc/44/28/21/573442821.db2.gz DQBWYPFXUPPSKD-RKDXNWHRSA-N 0 0 172.224 1.160 10 0 ADAERN C[C@@H]1CCCC[C@]12C(=O)CCNC2=O 238397489 573442835 /nfs/dbraw/zinc/44/28/35/573442835.db2.gz IABMIFKTEZINBW-LDYMZIIASA-N 0 0 195.262 1.272 10 0 ADAERN Cc1ccc(NC[C@@H](C)CO)c(N)c1 83219638 573442837 /nfs/dbraw/zinc/44/28/37/573442837.db2.gz RSQWELBWJAVXLL-SECBINFHSA-N 0 0 194.278 1.618 10 0 ADAERN Nc1ccc(F)cc1Cc1cn[nH]c1 257813609 573442842 /nfs/dbraw/zinc/44/28/42/573442842.db2.gz CFTIXPAIBGGEQD-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN C[C@]1(O)CNc2cccc(F)c2C1 257813436 573442885 /nfs/dbraw/zinc/44/28/85/573442885.db2.gz CAQIQJZZZQSOFQ-SNVBAGLBSA-N 0 0 181.210 1.545 10 0 ADAERN Cc1cc(CC(C)C)nc(CCO)n1 259451258 573442889 /nfs/dbraw/zinc/44/28/89/573442889.db2.gz XUPLEIGYCINPIE-UHFFFAOYSA-N 0 0 194.278 1.518 10 0 ADAERN Cc1cc(N)c(N(C)C)cc1C 83227665 573442892 /nfs/dbraw/zinc/44/28/92/573442892.db2.gz TUJPFJKQRVHKOS-UHFFFAOYSA-N 0 0 164.252 1.952 10 0 ADAERN CO[C@@H]1CCCCC=C1[C@@H](C)O 238397608 573442911 /nfs/dbraw/zinc/44/29/11/573442911.db2.gz IBEKYCNSQFVGKA-PSASIEDQSA-N 0 0 170.252 1.883 10 0 ADAERN CC/C=C/C(=O)OCC(=O)C(C)C 308390560 573442925 /nfs/dbraw/zinc/44/29/25/573442925.db2.gz ZGWJTHMNMDVZTP-AATRIKPKSA-N 0 0 184.235 1.721 10 0 ADAERN CCC[C@@H]1NCN(CCC(C)C)C1=O 138170775 573442944 /nfs/dbraw/zinc/44/29/44/573442944.db2.gz ZMWCDLIXGFSPEG-JTQLQIEISA-N 0 0 198.310 1.591 10 0 ADAERN Nc1ccc2ncc(C(F)F)n2c1 107255505 573442954 /nfs/dbraw/zinc/44/29/54/573442954.db2.gz VXPBKRPRASSECS-UHFFFAOYSA-N 0 0 183.161 1.854 10 0 ADAERN CC(C)[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1C1CC1 107238221 573442970 /nfs/dbraw/zinc/44/29/70/573442970.db2.gz JTRKSPVEUKXOLC-NXEZZACHSA-N 0 0 197.278 1.580 10 0 ADAERN CC[N@@H+]1CC[C@H](/C=C\CC(=O)[O-])C1 258023377 573442987 /nfs/dbraw/zinc/44/29/87/573442987.db2.gz BPULINDDTOZNHO-TYRPZCRBSA-N 0 0 183.251 1.359 10 0 ADAERN CCC1CCC(n2nnnc2N)CC1 86456885 573442989 /nfs/dbraw/zinc/44/29/89/573442989.db2.gz GUDZAXTWAPMSQH-UHFFFAOYSA-N 0 0 195.270 1.397 10 0 ADAERN CO[C@H]1CCc2nc(C)c(C)nc2N1 238396969 573443001 /nfs/dbraw/zinc/44/30/01/573443001.db2.gz MVCIHBPASKZBKM-VIFPVBQESA-N 0 0 193.250 1.424 10 0 ADAERN CO[C@@H]1CCCCCC[C@H](O)C1=O 238397748 573443010 /nfs/dbraw/zinc/44/30/10/573443010.db2.gz FCYGHRLAXFHGCM-DTWKUNHWSA-N 0 0 186.251 1.286 10 0 ADAERN COc1ccc2c(c1CO)C(=O)CC2 238397424 573444741 /nfs/dbraw/zinc/44/47/41/573444741.db2.gz SVVBWTBNDFUZPG-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN CC[C@H]1CC[C@@H](C(=O)OC2CC2)O1 308390508 573443654 /nfs/dbraw/zinc/44/36/54/573443654.db2.gz ZEZCAWVVDXSPQS-CBAPKCEASA-N 0 0 184.235 1.650 10 0 ADAERN COc1ccc2c(c1F)NC(=O)CC2 238397304 573443665 /nfs/dbraw/zinc/44/36/65/573443665.db2.gz NSZAYEUNVLFBCA-UHFFFAOYSA-N 0 0 195.193 1.719 10 0 ADAERN COc1ccc2c(c1)C=CNC(=O)C2 238397047 573443669 /nfs/dbraw/zinc/44/36/69/573443669.db2.gz CKMVSHGRMDAYIR-UHFFFAOYSA-N 0 0 189.214 1.338 10 0 ADAERN COC(=O)/C=C\COC(C)C 211446854 573444598 /nfs/dbraw/zinc/44/45/98/573444598.db2.gz AQFPBQZPHXHPDL-PLNGDYQASA-N 0 0 158.197 1.141 10 0 ADAERN Clc1ccccc1[C@H]1CCNN1 257813569 573443697 /nfs/dbraw/zinc/44/36/97/573443697.db2.gz CDWPFROYXMQSIO-SECBINFHSA-N 0 0 182.654 1.879 10 0 ADAERN OCCCC[C@@H](O)CC(F)(F)F 238662817 573443699 /nfs/dbraw/zinc/44/36/99/573443699.db2.gz ZHMBPUAVGXFIMH-ZCFIWIBFSA-N 0 0 186.173 1.462 10 0 ADAERN COc1cc(O)ccc1CF 238397053 573443700 /nfs/dbraw/zinc/44/37/00/573443700.db2.gz UOJPSPCECKNMNR-UHFFFAOYSA-N 0 0 156.156 1.870 10 0 ADAERN CCCC/C=C\[C@@H]([NH3+])CC(=O)[O-] 211512856 573443704 /nfs/dbraw/zinc/44/37/04/573443704.db2.gz HAEJCWWIGBNWJF-RPSMYOMKSA-N 0 0 171.240 1.535 10 0 ADAERN COc1ccc(C=O)c(C)c1F 118895655 573443735 /nfs/dbraw/zinc/44/37/35/573443735.db2.gz BTVUABYWQKIQIS-UHFFFAOYSA-N 0 0 168.167 1.955 10 0 ADAERN C[C@H](C1CCCC1)n1nnnc1N 86457190 573443751 /nfs/dbraw/zinc/44/37/51/573443751.db2.gz GRZZUKNRTSJJQM-ZCFIWIBFSA-N 0 0 181.243 1.007 10 0 ADAERN CC(C)[C@H]1[C@H]2CC[C@@H](C[C@H]1C(=O)[O-])[NH2+]2 258023330 573443765 /nfs/dbraw/zinc/44/37/65/573443765.db2.gz IDSLHPDSWRPDQF-SGIHWFKDSA-N 0 0 197.278 1.484 10 0 ADAERN CC(C)(C)c1ncc2n1C[C@@H](O)CC2 258023170 573443776 /nfs/dbraw/zinc/44/37/76/573443776.db2.gz BXEDVDUEVKEPJI-VIFPVBQESA-N 0 0 194.278 1.488 10 0 ADAERN OCCc1cc(-c2cccnc2)no1 83187320 573443778 /nfs/dbraw/zinc/44/37/78/573443778.db2.gz XQYVUXZLMBSZHK-UHFFFAOYSA-N 0 0 190.202 1.271 10 0 ADAERN O=C(NCc1cc[nH]c1)C1CCCC1 74988909 573443787 /nfs/dbraw/zinc/44/37/87/573443787.db2.gz WBOUZXSRZDLKDW-UHFFFAOYSA-N 0 0 192.262 1.821 10 0 ADAERN O=C([O-])[C@@H]1[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 259449477 573443795 /nfs/dbraw/zinc/44/37/95/573443795.db2.gz VGSGQDGLOZBFCK-MYJAWHEDSA-N 0 0 195.262 1.191 10 0 ADAERN CO[C@@H]1CCCCCC[C@@H](O)C1=O 238397708 573443799 /nfs/dbraw/zinc/44/37/99/573443799.db2.gz FCYGHRLAXFHGCM-RKDXNWHRSA-N 0 0 186.251 1.286 10 0 ADAERN Cc1cc(NC[C@@H](C)CO)ccc1N 83219674 573443805 /nfs/dbraw/zinc/44/38/05/573443805.db2.gz GGMWREOAFBDYBW-MRVPVSSYSA-N 0 0 194.278 1.618 10 0 ADAERN CC[C@@H]1CCC[C@@H](n2nnnc2N)C1 86457241 573443810 /nfs/dbraw/zinc/44/38/10/573443810.db2.gz ISWCEDMIQZKHFW-HTQZYQBOSA-N 0 0 195.270 1.397 10 0 ADAERN CC(C)CCN1CN[C@H](C(C)C)C1=O 138185186 573443826 /nfs/dbraw/zinc/44/38/26/573443826.db2.gz QYPFRYWKXLQDDH-SNVBAGLBSA-N 0 0 198.310 1.446 10 0 ADAERN CN1CCc2c(O)cccc2C1=O 107252413 573443831 /nfs/dbraw/zinc/44/38/31/573443831.db2.gz DKDPNISKAYQNHG-UHFFFAOYSA-N 0 0 177.203 1.020 10 0 ADAERN C[C@@H]1CC[C@@H](n2nnnc2N)[C@H](C)C1 86457187 573443864 /nfs/dbraw/zinc/44/38/64/573443864.db2.gz BDLQSVXYXMKPHR-BWZBUEFSSA-N 0 0 195.270 1.253 10 0 ADAERN CSCc1nnc2c(N)cccn12 258654454 573443879 /nfs/dbraw/zinc/44/38/79/573443879.db2.gz WXACFURMCBAELD-UHFFFAOYSA-N 0 0 194.263 1.175 10 0 ADAERN CO[C@H]1CCc2c(N)cccc2C1 238396781 573443891 /nfs/dbraw/zinc/44/38/91/573443891.db2.gz JDOCCBIDJXSBIY-VIFPVBQESA-N 0 0 177.247 1.773 10 0 ADAERN CCOC(=O)NCc1ccn(C)c1 74988779 573443892 /nfs/dbraw/zinc/44/38/92/573443892.db2.gz CLSFPHRTTLQTKF-UHFFFAOYSA-N 0 0 182.223 1.271 10 0 ADAERN CC(C)n1nc2ccc(C=O)cc2n1 257813620 573443928 /nfs/dbraw/zinc/44/39/28/573443928.db2.gz CFZJVQLBJHFBIE-UHFFFAOYSA-N 0 0 189.218 1.825 10 0 ADAERN Cc1c(CCCO)cnn1C(C)(C)C 257813683 573443945 /nfs/dbraw/zinc/44/39/45/573443945.db2.gz CHVNUWXXRQGVSM-UHFFFAOYSA-N 0 0 196.294 1.871 10 0 ADAERN COc1cnc(C(F)F)c(F)c1N 238396484 573443946 /nfs/dbraw/zinc/44/39/46/573443946.db2.gz CILYNXDLBNTWEB-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN COc1ccc2c(c1)ONC(=O)CC2 238397271 573443953 /nfs/dbraw/zinc/44/39/53/573443953.db2.gz NXZAYMGXZZYCJZ-UHFFFAOYSA-N 0 0 193.202 1.051 10 0 ADAERN CS[C@@H]1C(=O)C[C@@H]2C=CC[C@H]12 238397837 573444702 /nfs/dbraw/zinc/44/47/02/573444702.db2.gz RWJXVYXRYNCHGH-ZKWXMUAHSA-N 0 0 168.261 1.883 10 0 ADAERN CCC[C@H](CO)COc1cccnc1 258346188 573443997 /nfs/dbraw/zinc/44/39/97/573443997.db2.gz ZLGTVNSUQOBNQS-SNVBAGLBSA-N 0 0 195.262 1.869 10 0 ADAERN CC[NH2+]Cc1ccc(F)c(C(=O)[O-])c1 258022751 573443974 /nfs/dbraw/zinc/44/39/74/573443974.db2.gz BZLXREFQMWHPPT-UHFFFAOYSA-N 0 0 197.209 1.633 10 0 ADAERN C[C@@H](O)C[C@H]1C=CCCS1 238397655 573443980 /nfs/dbraw/zinc/44/39/80/573443980.db2.gz QKEARBBWKKIJNC-HTQZYQBOSA-N 0 0 158.266 1.819 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)CCC(N)=O 238397218 573443988 /nfs/dbraw/zinc/44/39/88/573443988.db2.gz WJZWNCZKNZLIKB-SCZZXKLOSA-N 0 0 185.267 1.193 10 0 ADAERN C[C@H](O)CCc1ccc2c(c1)NCC2 257813669 573443989 /nfs/dbraw/zinc/44/39/89/573443989.db2.gz CHPVTGWJRDLWRV-VIFPVBQESA-N 0 0 191.274 1.968 10 0 ADAERN CCN(CC1CC1)c1cccnn1 308390825 573444002 /nfs/dbraw/zinc/44/40/02/573444002.db2.gz ZIWADLKNCXZZHZ-UHFFFAOYSA-N 0 0 177.251 1.713 10 0 ADAERN COC[C@@](C)(O)c1cc(C)co1 715806925 573444011 /nfs/dbraw/zinc/44/40/11/573444011.db2.gz MQMGOUZXUONQLB-SECBINFHSA-N 0 0 170.208 1.442 10 0 ADAERN CCn1cnc([C@@H](O)C[C@H](C)OC)c1 308586833 573444030 /nfs/dbraw/zinc/44/40/30/573444030.db2.gz MPJWYTQSCYICPB-WPRPVWTQSA-N 0 0 198.266 1.361 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)NC1CCCC1 689954723 573444059 /nfs/dbraw/zinc/44/40/59/573444059.db2.gz JBPXTVAQJSIUDI-DTWKUNHWSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H](O)c1ccc(N2CCOCC2)o1 238397100 573444093 /nfs/dbraw/zinc/44/40/93/573444093.db2.gz RESDNGYPBXYSFU-MRVPVSSYSA-N 0 0 197.234 1.170 10 0 ADAERN Nc1ncc(Cc2cccs2)o1 258658071 573444094 /nfs/dbraw/zinc/44/40/94/573444094.db2.gz UEOYVLKPBMIAAO-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cc1ccc(NC[C@H](C)CO)nc1 83220489 573444708 /nfs/dbraw/zinc/44/47/08/573444708.db2.gz VVDCEOONTXWZHR-VIFPVBQESA-N 0 0 180.251 1.430 10 0 ADAERN CCn1nc(N)c2c1CCC[C@@H]2F 257813514 573444120 /nfs/dbraw/zinc/44/41/20/573444120.db2.gz CCOWHXYXIJMRLM-LURJTMIESA-N 0 0 183.230 1.832 10 0 ADAERN COc1ccc([C@@H](C)NC(C)=O)cn1 238397508 573444168 /nfs/dbraw/zinc/44/41/68/573444168.db2.gz AOFLIRLIHMPHBD-SSDOTTSWSA-N 0 0 194.234 1.287 10 0 ADAERN Cc1c(N)cccc1NC[C@@H](C)CO 83219087 573444175 /nfs/dbraw/zinc/44/41/75/573444175.db2.gz GLDXPHWXFSFODA-MRVPVSSYSA-N 0 0 194.278 1.618 10 0 ADAERN N[C@H]1CCOc2ccccc2C1(F)F 107256240 573444209 /nfs/dbraw/zinc/44/42/09/573444209.db2.gz YEEHPBJXDZZYKX-VIFPVBQESA-N 0 0 199.200 1.888 10 0 ADAERN CS[C@H]1NC=CN1C(C)C 238396583 573444220 /nfs/dbraw/zinc/44/42/20/573444220.db2.gz PBGGDGKDVCZAFJ-ZETCQYMHSA-N 0 0 158.270 1.418 10 0 ADAERN COC(=O)C/C=C\[C@H]1CCSC1 258023381 573444226 /nfs/dbraw/zinc/44/42/26/573444226.db2.gz BQAUKXSVYYBCOU-KZUAUGPASA-N 0 0 186.276 1.859 10 0 ADAERN O=C([O-])C/C=C\C[C@@H]1CCC[NH2+]1 258346440 573444233 /nfs/dbraw/zinc/44/42/33/573444233.db2.gz YCNCZODMWAKPBR-SLYZXXNYSA-N 0 0 169.224 1.159 10 0 ADAERN C[C@@H]1CCCC[C@]12NC(=O)NC2=S 238397827 573444240 /nfs/dbraw/zinc/44/42/40/573444240.db2.gz CSNNNLVEPRWALP-MUWHJKNJSA-N 0 0 198.291 1.576 10 0 ADAERN C[C@@H](CO)CNc1ccccc1N 83218985 573444256 /nfs/dbraw/zinc/44/42/56/573444256.db2.gz HKGRJSQSTSHIAG-MRVPVSSYSA-N 0 0 180.251 1.309 10 0 ADAERN CCc1nc(NC)cs1 258657121 573444266 /nfs/dbraw/zinc/44/42/66/573444266.db2.gz DRTVDIAFQKBHQB-UHFFFAOYSA-N 0 0 142.227 1.747 10 0 ADAERN O=C([O-])c1cccc(C2=CC[NH2+]C2)c1 257813579 573444268 /nfs/dbraw/zinc/44/42/68/573444268.db2.gz CEQQNUSMIBGTFB-UHFFFAOYSA-N 0 0 189.214 1.371 10 0 ADAERN CC[C@H]1NCN(CCC(C)C)C1=O 138127292 573444291 /nfs/dbraw/zinc/44/42/91/573444291.db2.gz LLBYKYKSHWSCAB-SECBINFHSA-N 0 0 184.283 1.200 10 0 ADAERN CO[C@@H]1CCC=C(CO)C1 238397153 573444309 /nfs/dbraw/zinc/44/43/09/573444309.db2.gz KHROLLMRCCVEKF-MRVPVSSYSA-N 0 0 142.198 1.104 10 0 ADAERN C[C@@H](O)CCc1ccc2c(c1)NCC2 257813667 573444325 /nfs/dbraw/zinc/44/43/25/573444325.db2.gz CHPVTGWJRDLWRV-SECBINFHSA-N 0 0 191.274 1.968 10 0 ADAERN COc1c(Cl)ccn2nccc12 238396740 573444328 /nfs/dbraw/zinc/44/43/28/573444328.db2.gz HYSVQLFEBDCSPD-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN CO[C@@H]1CCCC(=O)[C@H](C)C1 238397385 573444342 /nfs/dbraw/zinc/44/43/42/573444342.db2.gz LBEBYZRCPHWTFK-HTQZYQBOSA-N 0 0 156.225 1.781 10 0 ADAERN COC(=O)c1ccc2cc[nH]c2c1O 257813689 573444376 /nfs/dbraw/zinc/44/43/76/573444376.db2.gz CIGCIJMTCAQGQX-UHFFFAOYSA-N 0 0 191.186 1.660 10 0 ADAERN CC[C@H]([NH3+])[C@]1(CC(=O)[O-])C[C@@H](C)[C@H]1C 308586058 573444382 /nfs/dbraw/zinc/44/43/82/573444382.db2.gz RXRRIXYEYDTFGT-REIXXSIJSA-N 0 0 199.294 1.861 10 0 ADAERN COc1ccc2c(c1O)NC(=O)CC2 238397324 573444384 /nfs/dbraw/zinc/44/43/84/573444384.db2.gz YAAGAXMTJKVPQX-UHFFFAOYSA-N 0 0 193.202 1.286 10 0 ADAERN COc1c(Cl)ccccc1=O 238396567 573444392 /nfs/dbraw/zinc/44/43/92/573444392.db2.gz DBBQDEUCOUPFOL-UHFFFAOYSA-N 0 0 170.595 1.709 10 0 ADAERN O=C1NO[C@@H](c2ccccc2)CO1 223238863 573444407 /nfs/dbraw/zinc/44/44/07/573444407.db2.gz CHLMLQOLAQNBIR-MRVPVSSYSA-N 0 0 179.175 1.399 10 0 ADAERN C[C@@H]1CC=C2NC(=O)CC[C@H]2C1 238397527 573444410 /nfs/dbraw/zinc/44/44/10/573444410.db2.gz QOLSDUQQCUMEHY-SFYZADRCSA-N 0 0 165.236 1.826 10 0 ADAERN CC[C@@H]1[C@H](C(=O)[O-])[C@@H](C)C[N@@H+]1C 251610251 573444411 /nfs/dbraw/zinc/44/44/11/573444411.db2.gz KYVJHNNEBVVGCK-XLPZGREQSA-N 0 0 171.240 1.047 10 0 ADAERN CO[C@H]1CCc2[nH]c(C)cc(=O)c2C1 238396736 573444414 /nfs/dbraw/zinc/44/44/14/573444414.db2.gz UXAVZPJXGXZEKU-QMMMGPOBSA-N 0 0 193.246 1.187 10 0 ADAERN CCCCC[C@@H]1C[C@@H](N)C(=O)O1 238220550 573444417 /nfs/dbraw/zinc/44/44/17/573444417.db2.gz NNNITRMJIUTFCE-HTQZYQBOSA-N 0 0 171.240 1.210 10 0 ADAERN CO[C@@H]1CCC(C)(C)C(=O)C1 238396977 573444421 /nfs/dbraw/zinc/44/44/21/573444421.db2.gz NQSDLPMLBZULKN-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)[C@@H]1[C@H]2CC[C@@H](C[C@H]1C(=O)[O-])[NH2+]2 258023328 573444422 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ADAERN CC(C)C(=O)[C@@H](O)c1cccnc1 258657187 573444461 /nfs/dbraw/zinc/44/44/61/573444461.db2.gz DSAGNOUYTJGSCL-JTQLQIEISA-N 0 0 179.219 1.340 10 0 ADAERN CS[C@H]1NC=CN1C(C)(C)C 238396565 573444479 /nfs/dbraw/zinc/44/44/79/573444479.db2.gz YBIVLUBZCRZXCM-ZETCQYMHSA-N 0 0 172.297 1.808 10 0 ADAERN CC(C)C(=O)NCc1cc[nH]c1 74988900 573444514 /nfs/dbraw/zinc/44/45/14/573444514.db2.gz GXUPYHPSOANIMI-UHFFFAOYSA-N 0 0 166.224 1.287 10 0 ADAERN CCC(=O)NCc1cc[nH]c1 74988898 573444530 /nfs/dbraw/zinc/44/45/30/573444530.db2.gz FDDFPJRBESPPHQ-UHFFFAOYSA-N 0 0 152.197 1.041 10 0 ADAERN COC[C@H](C(=O)OC)C1CCC1 258345581 573444542 /nfs/dbraw/zinc/44/45/42/573444542.db2.gz QRPNKPYHPKCLAA-QMMMGPOBSA-N 0 0 172.224 1.222 10 0 ADAERN COc1ccc2c(c1)CNC(=O)C=C2 238396562 573444550 /nfs/dbraw/zinc/44/45/50/573444550.db2.gz USOOVXOPPMPHLX-UHFFFAOYSA-N 0 0 189.214 1.338 10 0 ADAERN Oc1ccc(-c2ncc(F)cn2)cc1 118902423 573444563 /nfs/dbraw/zinc/44/45/63/573444563.db2.gz SJEZWFVQKYSHEG-UHFFFAOYSA-N 0 0 190.177 1.988 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/nfs/dbraw/zinc/44/47/59/573444759.db2.gz MQXHVBXGOBTYNZ-MRVPVSSYSA-N 0 0 195.266 1.764 10 0 ADAERN O=c1nc([C@@H]2CCCCS2)o[nH]1 258023079 573444769 /nfs/dbraw/zinc/44/47/69/573444769.db2.gz NMBDKTXSRUPPDD-YFKPBYRVSA-N 0 0 186.236 1.733 10 0 ADAERN CO[C@H]1CC=C(CO)CC1 238397103 573444775 /nfs/dbraw/zinc/44/47/75/573444775.db2.gz WTEYNFVFMQDLDU-QMMMGPOBSA-N 0 0 142.198 1.104 10 0 ADAERN CC1=C[C@@H](C)[C@@H](C(N)=O)CC1 238397900 573444782 /nfs/dbraw/zinc/44/47/82/573444782.db2.gz CKVQQGQXIVUXFM-SFYZADRCSA-N 0 0 153.225 1.464 10 0 ADAERN COc1ccc2c(c1)[C@H](O)N(C)C=C2 238396669 573444797 /nfs/dbraw/zinc/44/47/97/573444797.db2.gz SXFUOPZOEZXSJY-NSHDSACASA-N 0 0 191.230 1.602 10 0 ADAERN CC(C)c1cc(CCO)on1 83187175 573444807 /nfs/dbraw/zinc/44/48/07/573444807.db2.gz FRVXAZLZGOMCAN-UHFFFAOYSA-N 0 0 155.197 1.333 10 0 ADAERN OCCc1nncc(C2CCCC2)n1 257813370 573444809 /nfs/dbraw/zinc/44/48/09/573444809.db2.gz CEINZGGQJJAMCT-UHFFFAOYSA-N 0 0 193.250 1.064 10 0 ADAERN COc1ccc2c(c1)O[C@@H](O)C=C2 238396860 573444816 /nfs/dbraw/zinc/44/48/16/573444816.db2.gz NHLWTAPPGDRGJL-SNVBAGLBSA-N 0 0 178.187 1.419 10 0 ADAERN OC[C@]1(c2ccccc2)CCO1 258654522 573444832 /nfs/dbraw/zinc/44/48/32/573444832.db2.gz WXNANHYYAMZBBM-JTQLQIEISA-N 0 0 164.204 1.295 10 0 ADAERN [NH3+]CCc1ccc(Cl)cc1C(=O)[O-] 107252997 573444836 /nfs/dbraw/zinc/44/48/36/573444836.db2.gz TUZZUTYYHNPUFE-UHFFFAOYSA-N 0 0 199.637 1.539 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1)CCCN2 257816381 573445665 /nfs/dbraw/zinc/44/56/65/573445665.db2.gz DKFMHXRXQSUSOP-SECBINFHSA-N 0 0 191.274 1.968 10 0 ADAERN CC[C@@H]1N[C@H](C)N(CCC(C)C)C1=O 138168749 573445679 /nfs/dbraw/zinc/44/56/79/573445679.db2.gz UQQDKDDHQQEEAL-UWVGGRQHSA-N 0 0 198.310 1.589 10 0 ADAERN CCC[C@@H]1C=C(C(=O)OC)CC[N@@H+]1C 257816317 573448570 /nfs/dbraw/zinc/44/85/70/573448570.db2.gz DHQLSTOCEYJQKK-SNVBAGLBSA-N 0 0 197.278 1.590 10 0 ADAERN CCOC[C@@H](C)Nc1cncc(C)n1 308587589 573448858 /nfs/dbraw/zinc/44/88/58/573448858.db2.gz IXKCEZBTCJTUPY-SECBINFHSA-N 0 0 195.266 1.622 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/nfs/dbraw/zinc/45/16/50/573451650.db2.gz LICXAPCMEAZLLN-QMMMGPOBSA-N 0 0 166.224 1.273 10 0 ADAERN Nc1cnccc1C(F)F 107259550 573449152 /nfs/dbraw/zinc/44/91/52/573449152.db2.gz GSTILGUZMSJALA-UHFFFAOYSA-N 0 0 144.124 1.601 10 0 ADAERN CC(C)C[C@H](F)[C@@H](C)O 257816508 573449161 /nfs/dbraw/zinc/44/91/61/573449161.db2.gz BUFGVZNSBYPAKK-RQJHMYQMSA-N 0 0 134.194 1.751 10 0 ADAERN COc1cc2c(cc1N)OCC[C@H]2[NH3+] 238398531 573449165 /nfs/dbraw/zinc/44/91/65/573449165.db2.gz YKQKHRAMNSNDPA-SSDOTTSWSA-N 0 0 194.234 1.060 10 0 ADAERN COc1ccc2c(c1)N[C@](C)(CO)C2 258352359 573449167 /nfs/dbraw/zinc/44/91/67/573449167.db2.gz YPTQRTXLDZOUMN-NSHDSACASA-N 0 0 193.246 1.414 10 0 ADAERN CCOC(=O)[C@]1(C)CCO[C@H]1C1CC1 308390928 573449179 /nfs/dbraw/zinc/44/91/79/573449179.db2.gz KPFXPFBXEQISMA-GXSJLCMTSA-N 0 0 198.262 1.755 10 0 ADAERN CCC[C@@H](O)c1ccc[nH]1 78371281 573449181 /nfs/dbraw/zinc/44/91/81/573449181.db2.gz GCNNZAXZRIQWQY-MRVPVSSYSA-N 0 0 139.198 1.848 10 0 ADAERN O=C1C[C@@H]2[C@H](F)c3ccccc3[C@H]2N1 107260245 573449196 /nfs/dbraw/zinc/44/91/96/573449196.db2.gz OBJZVXPOAPVNGM-FBIMIBRVSA-N 0 0 191.205 1.888 10 0 ADAERN Cc1c(Cl)ncnc1[C@@H](C)O 107261803 573449232 /nfs/dbraw/zinc/44/92/32/573449232.db2.gz KKDFIAYRSMNZND-RXMQYKEDSA-N 0 0 172.615 1.492 10 0 ADAERN CS[C@]1(C)C[C@@H](C)OC(=O)N1 238398615 573449235 /nfs/dbraw/zinc/44/92/35/573449235.db2.gz YGNQSUASEVMBMS-IYSWYEEDSA-N 0 0 175.253 1.584 10 0 ADAERN CC/C=C(/C)c1nc(CNCC)no1 308865250 573449238 /nfs/dbraw/zinc/44/92/38/573449238.db2.gz DXEMTDLRKFDIFV-VURMDHGXSA-N 0 0 195.266 1.992 10 0 ADAERN CC[C@@H]1CC(Br)=NO1 257816277 573449240 /nfs/dbraw/zinc/44/92/40/573449240.db2.gz DEWCGIVPTFMLPB-SCSAIBSYSA-N 0 0 178.029 1.894 10 0 ADAERN COc1ncc(C(F)F)cc1CO 238406262 573449241 /nfs/dbraw/zinc/44/92/41/573449241.db2.gz YEBJAFOYABSBQS-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN COC(=O)c1ccc2c(c1)C=C[C@@H]2O 238405927 573449248 /nfs/dbraw/zinc/44/92/48/573449248.db2.gz MCGXLLVOYUASKL-JTQLQIEISA-N 0 0 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/nfs/dbraw/zinc/44/95/41/573449541.db2.gz IMYHZPATLAQYLX-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN O=C(NCCc1cc[nH]c1)C1CC1 75002252 573449552 /nfs/dbraw/zinc/44/95/52/573449552.db2.gz WNFPDSIFJLBIIP-UHFFFAOYSA-N 0 0 178.235 1.083 10 0 ADAERN O=C1CCN(CCCC(F)(F)F)C1 124383405 573449557 /nfs/dbraw/zinc/44/95/57/573449557.db2.gz VMEKTQYNTHYPTC-UHFFFAOYSA-N 0 0 195.184 1.604 10 0 ADAERN NC(=O)Nc1ccc(C=O)cc1F 257816274 573449569 /nfs/dbraw/zinc/44/95/69/573449569.db2.gz DETFMKNJOOKQCQ-UHFFFAOYSA-N 0 0 182.154 1.129 10 0 ADAERN CC[N@H+]([C@H]1CC[C@@H]1C)C(C)(C)C(=O)[O-] 308589287 573449593 /nfs/dbraw/zinc/44/95/93/573449593.db2.gz JOXVGNYONBADGD-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN CO[C@@H]1CCCC[C@@]1(C)CO 238398525 573449622 /nfs/dbraw/zinc/44/96/22/573449622.db2.gz JJDYGEKCAZARBR-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN COC(=O)Cc1csc(Cl)n1 238399201 573449630 /nfs/dbraw/zinc/44/96/30/573449630.db2.gz YJUIMEPBWLLOHH-UHFFFAOYSA-N 0 0 191.639 1.512 10 0 ADAERN C[C@H](CO)c1cccc2c1COC2 258037742 573451681 /nfs/dbraw/zinc/45/16/81/573451681.db2.gz PWLDCSWKSZJHTB-MRVPVSSYSA-N 0 0 178.231 1.813 10 0 ADAERN CSCCCn1ccc(CO)c1 130072762 573449686 /nfs/dbraw/zinc/44/96/86/573449686.db2.gz CVOZLDNFXJRTQR-UHFFFAOYSA-N 0 0 185.292 1.734 10 0 ADAERN CSCCCn1ccnc1CO 130069648 573449706 /nfs/dbraw/zinc/44/97/06/573449706.db2.gz SKVATVPLKFQPJE-UHFFFAOYSA-N 0 0 186.280 1.129 10 0 ADAERN CCOC(=O)NCCc1cc[nH]c1 75002313 573449712 /nfs/dbraw/zinc/44/97/12/573449712.db2.gz GBBYMSXUCATAJG-UHFFFAOYSA-N 0 0 182.223 1.303 10 0 ADAERN C[C@H](O)[C@@H]1CCC=C[C@@H]1C 142508149 573449713 /nfs/dbraw/zinc/44/97/13/573449713.db2.gz QKFSJHFRBIKFJB-XHNCKOQMSA-N 0 0 140.226 1.970 10 0 ADAERN C[C@@H](F)c1cnc2c(N)cccn12 107256629 573449716 /nfs/dbraw/zinc/44/97/16/573449716.db2.gz RAVWSKJXOBICLL-ZCFIWIBFSA-N 0 0 179.198 1.947 10 0 ADAERN CCOC(=O)c1n[nH]cc1C1CC1 259453276 573449721 /nfs/dbraw/zinc/44/97/21/573449721.db2.gz OFCGODQPHZCETJ-UHFFFAOYSA-N 0 0 180.207 1.464 10 0 ADAERN O=c1[nH]c(Cc2ccco2)co1 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NN[C@H](C1=CCCCC1)c1ncc[nH]1 236225404 573449787 /nfs/dbraw/zinc/44/97/87/573449787.db2.gz JRVIMSIIWTURLR-SECBINFHSA-N 0 0 192.266 1.415 10 0 ADAERN C[C@@H]1Cc2cc(Cl)c(N)nc2N1 257816673 573449789 /nfs/dbraw/zinc/44/97/89/573449789.db2.gz DGKVAWDSMLGMJN-SCSAIBSYSA-N 0 0 183.642 1.674 10 0 ADAERN COC(=O)C1=C(C)C(=O)n2cccc21 142571146 573449823 /nfs/dbraw/zinc/44/98/23/573449823.db2.gz ZATMDGFZIMLHJO-UHFFFAOYSA-N 0 0 191.186 1.088 10 0 ADAERN CC[N@H+]([C@H]1CC[C@H]1C)C(C)(C)C(=O)[O-] 308589282 573449828 /nfs/dbraw/zinc/44/98/28/573449828.db2.gz JOXVGNYONBADGD-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN CCC[C@H](O)c1cccc(O)c1N 257816214 573449829 /nfs/dbraw/zinc/44/98/29/573449829.db2.gz DCASUGMRXFKDMM-QMMMGPOBSA-N 0 0 181.235 1.808 10 0 ADAERN OCc1ncc2cc(Cl)ccn12 257817486 573451692 /nfs/dbraw/zinc/45/16/92/573451692.db2.gz DSFCIQHVMGLLHE-UHFFFAOYSA-N 0 0 182.610 1.480 10 0 ADAERN COc1ccc(O)c2c1[C@H]([NH3+])CC2 238398499 573449854 /nfs/dbraw/zinc/44/98/54/573449854.db2.gz 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C[C@H]1CO[C@@](C)(c2ccccn2)N1 258349709 573450049 /nfs/dbraw/zinc/45/00/49/573450049.db2.gz FNSTWSGHQKJHCF-WPRPVWTQSA-N 0 0 178.235 1.263 10 0 ADAERN C[C@@H]1CCC2(CC2)C(=O)N1 238398678 573450082 /nfs/dbraw/zinc/45/00/82/573450082.db2.gz WAIHLZXVHBPKTI-ZCFIWIBFSA-N 0 0 139.198 1.065 10 0 ADAERN CC[N@H+]([C@@H]1CC[C@H]1C)C(C)(C)C(=O)[O-] 308589289 573450099 /nfs/dbraw/zinc/45/00/99/573450099.db2.gz JOXVGNYONBADGD-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN COc1ccc2c(c1)C1(CC1)[NH2+]CC2 238398360 573450109 /nfs/dbraw/zinc/45/01/09/573450109.db2.gz BXIQGPOATDKXOO-UHFFFAOYSA-N 0 0 189.258 1.830 10 0 ADAERN C[C@H](F)c1cnc2c(N)cccn12 107256625 573450119 /nfs/dbraw/zinc/45/01/19/573450119.db2.gz RAVWSKJXOBICLL-LURJTMIESA-N 0 0 179.198 1.947 10 0 ADAERN NOCc1cc2cc(O)ccc2[nH]1 258346835 573450120 /nfs/dbraw/zinc/45/01/20/573450120.db2.gz YEWVIVKMILUPMF-UHFFFAOYSA-N 0 0 178.191 1.264 10 0 ADAERN COc1cc2[nH]nc(N)c2cc1C 238400706 573451706 /nfs/dbraw/zinc/45/17/06/573451706.db2.gz 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DSFQIEJRCMGPML-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN C[C@@H]1Cc2ccc(CCCO)n2C1 238406171 573451424 /nfs/dbraw/zinc/45/14/24/573451424.db2.gz PNBPRTPEVORSMC-SECBINFHSA-N 0 0 179.263 1.605 10 0 ADAERN C[C@H]1CNC(=O)N1c1cccc(O)c1 257816820 573451448 /nfs/dbraw/zinc/45/14/48/573451448.db2.gz DPFWUZWIHLMAND-ZETCQYMHSA-N 0 0 192.218 1.310 10 0 ADAERN C[C@@H](CCF)C[C@H](C[NH3+])CC(=O)[O-] 78374492 573451449 /nfs/dbraw/zinc/45/14/49/573451449.db2.gz GEYGHNUUWOVRDW-YUMQZZPRSA-N 0 0 191.246 1.422 10 0 ADAERN Nc1[nH]c2ccccc2c1F 107256862 573451483 /nfs/dbraw/zinc/45/14/83/573451483.db2.gz OFVAUNAJVQUGNG-UHFFFAOYSA-N 0 0 150.156 1.889 10 0 ADAERN CO[C@H](CO)CCc1cccc(O)c1 257817223 573451508 /nfs/dbraw/zinc/45/15/08/573451508.db2.gz DRRYKWGAPZUHGU-NSHDSACASA-N 0 0 196.246 1.332 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)Cc1ccoc1 689955193 573451528 /nfs/dbraw/zinc/45/15/28/573451528.db2.gz MLUBUKVRBOSAGI-OPRDCNLKSA-N 0 0 182.219 1.218 10 0 ADAERN CO[C@H]1CNc2c(C)cccc2C1 257817077 573451532 /nfs/dbraw/zinc/45/15/32/573451532.db2.gz DMYXIUMZOFREMK-SNVBAGLBSA-N 0 0 177.247 1.978 10 0 ADAERN CC(=O)c1nn(C)c2c1CSC2 257817403 573451558 /nfs/dbraw/zinc/45/15/58/573451558.db2.gz DRARFIJCIJZCCW-UHFFFAOYSA-N 0 0 182.248 1.370 10 0 ADAERN C[C@H](O)CCCOC1CCC1 50521388 573451562 /nfs/dbraw/zinc/45/15/62/573451562.db2.gz VLSLCWYBJXTYTA-QMMMGPOBSA-N 0 0 158.241 1.717 10 0 ADAERN Cc1ccc(C(=O)CCCO)c(N)c1 257817199 573451572 /nfs/dbraw/zinc/45/15/72/573451572.db2.gz DQTKLYZMUPCKKQ-UHFFFAOYSA-N 0 0 193.246 1.532 10 0 ADAERN C[C@@H]1C=CCC[C@]1(C)C(N)=O 238401277 573451579 /nfs/dbraw/zinc/45/15/79/573451579.db2.gz SJNMIJLSIFCRCC-APPZFPTMSA-N 0 0 153.225 1.464 10 0 ADAERN Cc1cccc(-n2nc(N)nc2C)c1 86475297 573451593 /nfs/dbraw/zinc/45/15/93/573451593.db2.gz KZXGKULBMUWSFR-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN OC[C@@]1(O)CCCc2ccc(F)cc21 257816783 573451604 /nfs/dbraw/zinc/45/16/04/573451604.db2.gz DNNICMWOPIBNLJ-NSHDSACASA-N 0 0 196.221 1.342 10 0 ADAERN C[C@](F)(CO)c1ccccc1O 257817141 573451612 /nfs/dbraw/zinc/45/16/12/573451612.db2.gz CDOUHUNIPCMVLI-VIFPVBQESA-N 0 0 170.183 1.569 10 0 ADAERN C[C@H]1C=CC[C@@H](CO)COC(=O)CC1 308588617 573451629 /nfs/dbraw/zinc/45/16/29/573451629.db2.gz NKAOAPPJVUTRSC-UWVGGRQHSA-N 0 0 198.262 1.514 10 0 ADAERN CC(C)(O)CCc1ccc(CO)cc1 259456477 573453165 /nfs/dbraw/zinc/45/31/65/573453165.db2.gz MZXDCQBJTXHDKJ-UHFFFAOYSA-N 0 0 194.274 1.882 10 0 ADAERN COc1cc(F)ccc1C1(CO)CC1 257817148 573453183 /nfs/dbraw/zinc/45/31/83/573453183.db2.gz CDXLNLSOGLKYOU-UHFFFAOYSA-N 0 0 196.221 1.858 10 0 ADAERN O[C@@H]1CCCn2c1cnc2C1CCC1 258347460 573452199 /nfs/dbraw/zinc/45/21/99/573452199.db2.gz LDTGCKKXEGBTRI-SNVBAGLBSA-N 0 0 192.262 1.978 10 0 ADAERN CC(=O)C[C@@H](O)c1ccc(N)cc1 107260462 573452253 /nfs/dbraw/zinc/45/22/53/573452253.db2.gz FAALSABTXFYYNF-SNVBAGLBSA-N 0 0 179.219 1.281 10 0 ADAERN COc1ccc2c(n1)NCCOC2 238401124 573452235 /nfs/dbraw/zinc/45/22/35/573452235.db2.gz JXBSWKQISGQSSE-UHFFFAOYSA-N 0 0 180.207 1.032 10 0 ADAERN NC1(F)CCCCC1 107258171 573452260 /nfs/dbraw/zinc/45/22/60/573452260.db2.gz MOLHSRIVHTXNEY-UHFFFAOYSA-N 0 0 117.167 1.575 10 0 ADAERN C[C@H](F)c1cnc2ccc(N)cn12 107256633 573452275 /nfs/dbraw/zinc/45/22/75/573452275.db2.gz SAHUXPKJMDVZLU-LURJTMIESA-N 0 0 179.198 1.947 10 0 ADAERN O[C@H]1CCCn2c1cnc2C1CCC1 258347457 573452322 /nfs/dbraw/zinc/45/23/22/573452322.db2.gz LDTGCKKXEGBTRI-JTQLQIEISA-N 0 0 192.262 1.978 10 0 ADAERN CCOC(=O)N1CCC(F)CC1 107259645 573452334 /nfs/dbraw/zinc/45/23/34/573452334.db2.gz NWTWVFFJPLEPMT-UHFFFAOYSA-N 0 0 175.203 1.577 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](C2CCCCCC2)[NH2+]1 257816812 573452337 /nfs/dbraw/zinc/45/23/37/573452337.db2.gz DOWUYYJZLWKOOX-VHSXEESVSA-N 0 0 197.278 1.772 10 0 ADAERN COc1ccc([C@@H](N)C(F)(F)F)[nH]1 238400608 573452341 /nfs/dbraw/zinc/45/23/41/573452341.db2.gz ZFEDAABQYXXOCB-ZCFIWIBFSA-N 0 0 194.156 1.585 10 0 ADAERN CC(C)OC(=O)COC1CCC1 50518985 573452351 /nfs/dbraw/zinc/45/23/51/573452351.db2.gz CHACDRGAICHYTA-UHFFFAOYSA-N 0 0 172.224 1.507 10 0 ADAERN CCCCN(CCO)C(=O)C1(C)CC1 308589618 573452364 /nfs/dbraw/zinc/45/23/64/573452364.db2.gz JUNORMDKJFXWBJ-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CCn1nc2c(c1N)CN(C(C)C)C2 257817258 573453190 /nfs/dbraw/zinc/45/31/90/573453190.db2.gz DTJQVJDJJBDDBN-UHFFFAOYSA-N 0 0 194.282 1.209 10 0 ADAERN CC(C)(C[C@@H]([NH3+])C(=O)[O-])c1ccco1 258660889 573452415 /nfs/dbraw/zinc/45/24/15/573452415.db2.gz UOGVAMALCJYCKN-SSDOTTSWSA-N 0 0 197.234 1.359 10 0 ADAERN C[C@]1(CO)Cc2ccc(O)cc2N1 258349518 573452431 /nfs/dbraw/zinc/45/24/31/573452431.db2.gz YJGHUGLSMGMNTH-SNVBAGLBSA-N 0 0 179.219 1.111 10 0 ADAERN Cc1scnc1CN(C)O 83269210 573452437 /nfs/dbraw/zinc/45/24/37/573452437.db2.gz VVPKYGMNWYVLNS-UHFFFAOYSA-N 0 0 158.226 1.273 10 0 ADAERN CC[C@@H]1CN(C(C)C)C(=O)N1 259453015 573452445 /nfs/dbraw/zinc/45/24/45/573452445.db2.gz NBPNCTDOZHENJL-SSDOTTSWSA-N 0 0 156.229 1.199 10 0 ADAERN Cc1cn(C)c(=O)c2ccc(N)cc12 258347066 573452495 /nfs/dbraw/zinc/45/24/95/573452495.db2.gz VUJBVLOHADRPKA-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN C[C@@H]1C=CCC[C@@]1(C)C(N)=O 238400990 573452509 /nfs/dbraw/zinc/45/25/09/573452509.db2.gz SJNMIJLSIFCRCC-VXNVDRBHSA-N 0 0 153.225 1.464 10 0 ADAERN CO[C@@H](CO)CCc1ccc(O)cc1 257817249 573452513 /nfs/dbraw/zinc/45/25/13/573452513.db2.gz DTABIGGFIWBMAT-LLVKDONJSA-N 0 0 196.246 1.332 10 0 ADAERN COc1cc2c(=O)[nH]ccc2cc1C 238400863 573452517 /nfs/dbraw/zinc/45/25/17/573452517.db2.gz WOVMHEWMDTXUNK-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN NO[C@H](CCO)C1CCCCC1 257817421 573452519 /nfs/dbraw/zinc/45/25/19/573452519.db2.gz DRIYZAPQMXQOJF-SECBINFHSA-N 0 0 173.256 1.208 10 0 ADAERN F[C@H]1CCCc2c[nH]nc21 107257517 573452528 /nfs/dbraw/zinc/45/25/28/573452528.db2.gz OSPSLEUYYLWFRX-LURJTMIESA-N 0 0 140.161 1.757 10 0 ADAERN O=C1OC[C@@H](CCO)N1C1CCCC1 258351530 573452563 /nfs/dbraw/zinc/45/25/63/573452563.db2.gz VZHMRUBYZQLABD-SECBINFHSA-N 0 0 199.250 1.132 10 0 ADAERN CCc1nnn(C2CCCC2)c1N 257817095 573452592 /nfs/dbraw/zinc/45/25/92/573452592.db2.gz DNYNAMGPOSYWJV-UHFFFAOYSA-N 0 0 180.255 1.538 10 0 ADAERN C[C@@H](O)[C@@H](C)C1(O)CCCCC1 238406207 573452599 /nfs/dbraw/zinc/45/25/99/573452599.db2.gz RSCLACUUQCKBKA-RKDXNWHRSA-N 0 0 172.268 1.699 10 0 ADAERN NC1(F)CCCC1 107257446 573452632 /nfs/dbraw/zinc/45/26/32/573452632.db2.gz FXTQCVHVRHKYHV-UHFFFAOYSA-N 0 0 103.140 1.185 10 0 ADAERN Cn1cc(CON)c2cccc(O)c21 258349675 573452653 /nfs/dbraw/zinc/45/26/53/573452653.db2.gz YLVQAUVGPQNDJT-UHFFFAOYSA-N 0 0 192.218 1.274 10 0 ADAERN COc1cccc2c1C[C@H]([C@H](C)O)N2 258351922 573452658 /nfs/dbraw/zinc/45/26/58/573452658.db2.gz YODCUURLPVRBJC-OIBJUYFYSA-N 0 0 193.246 1.413 10 0 ADAERN CCOCc1cnc(C)o1 258352497 573452735 /nfs/dbraw/zinc/45/27/35/573452735.db2.gz YQSKBGPSDVBRHT-UHFFFAOYSA-N 0 0 141.170 1.520 10 0 ADAERN CC(C)(C)[C@]1(C)CCNC(=O)O1 257817145 573452739 /nfs/dbraw/zinc/45/27/39/573452739.db2.gz DPOGXCASJZWVHU-VIFPVBQESA-N 0 0 171.240 1.921 10 0 ADAERN CC(C)(C[C@H]([NH3+])C(=O)[O-])c1ccco1 258660894 573452743 /nfs/dbraw/zinc/45/27/43/573452743.db2.gz UOGVAMALCJYCKN-ZETCQYMHSA-N 0 0 197.234 1.359 10 0 ADAERN C[C@@H]1OC(=S)N[C@@H]2CCCC[C@@H]12 238406179 573452763 /nfs/dbraw/zinc/45/27/63/573452763.db2.gz VNLPSFLXAWOQBF-BIIVOSGPSA-N 0 0 185.292 1.838 10 0 ADAERN CCSCCn1ccnc1CO 130069033 573452765 /nfs/dbraw/zinc/45/27/65/573452765.db2.gz IQBOWXWBQBJWCQ-UHFFFAOYSA-N 0 0 186.280 1.129 10 0 ADAERN O=C1OC2(CCCCC2)CN1CCO 257816949 573452778 /nfs/dbraw/zinc/45/27/78/573452778.db2.gz CFFGQWSNAZIXFE-UHFFFAOYSA-N 0 0 199.250 1.134 10 0 ADAERN CC(=O)c1cc2c([nH]c1=O)CSC2 257817203 573452837 /nfs/dbraw/zinc/45/28/37/573452837.db2.gz DQUKZYRCXWAWFX-UHFFFAOYSA-N 0 0 195.243 1.737 10 0 ADAERN COc1cc(C)c(CC(C)=O)cc1O 257817580 573452850 /nfs/dbraw/zinc/45/28/50/573452850.db2.gz CIFQFAQUDUHVKJ-UHFFFAOYSA-N 0 0 194.230 1.841 10 0 ADAERN CC[C@@H]([NH2+]C)C1CCC(C(=O)[O-])CC1 259456148 573452887 /nfs/dbraw/zinc/45/28/87/573452887.db2.gz PIBQYNWUNLTGST-UDNWOFFPSA-N 0 0 199.294 1.875 10 0 ADAERN CN[C@H](N)c1cc(C)cc(C)c1OC 259454935 573452896 /nfs/dbraw/zinc/45/28/96/573452896.db2.gz QPINOPAAFCKNPC-NSHDSACASA-N 0 0 194.278 1.489 10 0 ADAERN C[C@@H](O)C[C@]1(c2ccccc2F)CO1 238401117 573452904 /nfs/dbraw/zinc/45/29/04/573452904.db2.gz FNLHNFGOKGFYQC-LDYMZIIASA-N 0 0 196.221 1.822 10 0 ADAERN OCCCC[C@H](O)c1ccco1 238665017 573452921 /nfs/dbraw/zinc/45/29/21/573452921.db2.gz KALRWVVJZSNZAG-QMMMGPOBSA-N 0 0 170.208 1.476 10 0 ADAERN C/C(F)=C(/F)CO 220297986 573452932 /nfs/dbraw/zinc/45/29/32/573452932.db2.gz XYWOWNUXAMPLGN-ARJAWSKDSA-N 0 0 108.087 1.149 10 0 ADAERN CCc1cn2c(n1)[C@H](O)CCC2 258350081 573452951 /nfs/dbraw/zinc/45/29/51/573452951.db2.gz LICXAPCMEAZLLN-MRVPVSSYSA-N 0 0 166.224 1.273 10 0 ADAERN COc1cccc2c1C[C@@H]([C@H](C)O)N2 258351931 573452982 /nfs/dbraw/zinc/45/29/82/573452982.db2.gz YODCUURLPVRBJC-XVKPBYJWSA-N 0 0 193.246 1.413 10 0 ADAERN COc1cncc([C@H]2CCC[C@@H]2O)c1 124389878 573453023 /nfs/dbraw/zinc/45/30/23/573453023.db2.gz YEORTFRASNGWIG-MNOVXSKESA-N 0 0 193.246 1.719 10 0 ADAERN CCCn1c(C(=O)OCC)cnc1C 259455855 573453026 /nfs/dbraw/zinc/45/30/26/573453026.db2.gz XALMIKRZOWARMV-UHFFFAOYSA-N 0 0 196.250 1.778 10 0 ADAERN CCOC(=O)[C@]1(C)CCO[C@@H]1C1CC1 308390942 573453039 /nfs/dbraw/zinc/45/30/39/573453039.db2.gz KPFXPFBXEQISMA-MWLCHTKSSA-N 0 0 198.262 1.755 10 0 ADAERN OCc1cncc(-c2cnco2)c1 142524684 573453053 /nfs/dbraw/zinc/45/30/53/573453053.db2.gz LUVRBCKAKRJCJJ-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN NOC/C=C/c1ccccc1F 258658331 573453076 /nfs/dbraw/zinc/45/30/76/573453076.db2.gz UJCRLTYPNBMHLQ-HWKANZROSA-N 0 0 167.183 1.729 10 0 ADAERN CCCC(C)(C)N[C@@H](C)C(=O)OC 126268794 573453080 /nfs/dbraw/zinc/45/30/80/573453080.db2.gz ZUBBSGCZPOFECK-QMMMGPOBSA-N 0 0 187.283 1.716 10 0 ADAERN COc1ccc(OC)c([C@@H](N)OC)c1 259456230 573453104 /nfs/dbraw/zinc/45/31/04/573453104.db2.gz OMDMGJLIGHSGPW-JTQLQIEISA-N 0 0 197.234 1.308 10 0 ADAERN Cc1cccc([C@@H](C)O)c1C[C@@H](C)O 238401552 573453136 /nfs/dbraw/zinc/45/31/36/573453136.db2.gz ZYNZASOKKUSELW-NXEZZACHSA-N 0 0 194.274 1.972 10 0 ADAERN CCCN[C@]1(C(=O)OC)C[C@H](C)[C@H]1C 308590978 573453139 /nfs/dbraw/zinc/45/31/39/573453139.db2.gz VJSFBVRHRIDCKS-IQJOONFLSA-N 0 0 199.294 1.574 10 0 ADAERN CC(=O)NC(=O)CC1CCCC1 142502744 573453141 /nfs/dbraw/zinc/45/31/41/573453141.db2.gz DAMFEGSJUSQDJB-UHFFFAOYSA-N 0 0 169.224 1.229 10 0 ADAERN COC(=O)[C@@]12CCC=C1C[C@H](O)CC2 238401651 573453145 /nfs/dbraw/zinc/45/31/45/573453145.db2.gz GFSMPZIXCCHLAO-MWLCHTKSSA-N 0 0 196.246 1.411 10 0 ADAERN CC(=O)C[C@H](O)c1ccc(N)cc1 107260457 573453229 /nfs/dbraw/zinc/45/32/29/573453229.db2.gz FAALSABTXFYYNF-JTQLQIEISA-N 0 0 179.219 1.281 10 0 ADAERN CCOc1cc(O)c(F)c(C=O)c1 142548438 573453238 /nfs/dbraw/zinc/45/32/38/573453238.db2.gz VKMCYAQHKRYTQO-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN CCSCCn1cccc1CO 130071214 573453254 /nfs/dbraw/zinc/45/32/54/573453254.db2.gz KRSGRCWMIUQGDX-UHFFFAOYSA-N 0 0 185.292 1.734 10 0 ADAERN CN1C[C@@H](c2cccs2)NC1=O 259456470 573454064 /nfs/dbraw/zinc/45/40/64/573454064.db2.gz NEGKONBLWNJOCC-LURJTMIESA-N 0 0 182.248 1.444 10 0 ADAERN COc1cncc([C@H]2CCCC2=O)c1 124399138 573454071 /nfs/dbraw/zinc/45/40/71/573454071.db2.gz SJPYGYIHHBCLKV-SNVBAGLBSA-N 0 0 191.230 1.927 10 0 ADAERN Nc1ncc(CCc2ccncc2)o1 258661170 573454084 /nfs/dbraw/zinc/45/40/84/573454084.db2.gz DZGWCPXPXINGQT-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN Cc1nc(N)nn1[C@H](C)C1CC1 86475326 573456735 /nfs/dbraw/zinc/45/67/35/573456735.db2.gz HSASXQHULKOQOH-RXMQYKEDSA-N 0 0 166.228 1.140 10 0 ADAERN NC(=O)Nc1cc(C=O)ccc1Cl 257817316 573454085 /nfs/dbraw/zinc/45/40/85/573454085.db2.gz CGELUVPCNZDMOG-UHFFFAOYSA-N 0 0 198.609 1.643 10 0 ADAERN COc1ccc2c(c1)[C@H](C(C)=O)C2 238401253 573454503 /nfs/dbraw/zinc/45/45/03/573454503.db2.gz HBCXMTPDUBVVCM-JTQLQIEISA-N 0 0 176.215 1.924 10 0 ADAERN C[C@H](c1ccccc1)n1[nH]ccc1=O 238406140 573454052 /nfs/dbraw/zinc/45/40/52/573454052.db2.gz QPFMNNAJNJBSQJ-SECBINFHSA-N 0 0 188.230 1.966 10 0 ADAERN CCCOCC[C@@H](O)CCCOC 162166281 573454122 /nfs/dbraw/zinc/45/41/22/573454122.db2.gz AJHNCWQKTZEYJH-JTQLQIEISA-N 0 0 190.283 1.591 10 0 ADAERN C[C@@H](O)CC[C@H](O)CCc1cc[nH]c1 78444132 573454124 /nfs/dbraw/zinc/45/41/24/573454124.db2.gz FDERJBZQTVJMNF-KOLCDFICSA-N 0 0 197.278 1.469 10 0 ADAERN CCCC[C@@H](C)C(=O)c1cnn(C)n1 308590741 573454140 /nfs/dbraw/zinc/45/41/40/573454140.db2.gz VHABBIMTZLMHNR-MRVPVSSYSA-N 0 0 195.266 1.824 10 0 ADAERN COC(=O)Cc1nccc(Cl)c1C 238401543 573454153 /nfs/dbraw/zinc/45/41/53/573454153.db2.gz XFWBEHKXQMICTN-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN OC[C@@H](CC1COC1)c1cccnc1 258660630 573454166 /nfs/dbraw/zinc/45/41/66/573454166.db2.gz ULMCQSGLNAFODF-LLVKDONJSA-N 0 0 193.246 1.194 10 0 ADAERN Cc1cccc2c1C[C@H](CCO)N2C 258354735 573454189 /nfs/dbraw/zinc/45/41/89/573454189.db2.gz YUOMWFDUHOUIJD-JTQLQIEISA-N 0 0 191.274 1.738 10 0 ADAERN Cn1ncc2c1CCC[C@H]2F 107257606 573454198 /nfs/dbraw/zinc/45/41/98/573454198.db2.gz QSBVKFGRRVDWOF-SSDOTTSWSA-N 0 0 154.188 1.767 10 0 ADAERN Cc1cc(C)c(C)c([C@@H]([NH3+])C(=O)[O-])c1 215216709 573454221 /nfs/dbraw/zinc/45/42/21/573454221.db2.gz WECQEBMDCWRTAS-SNVBAGLBSA-N 0 0 193.246 1.696 10 0 ADAERN Cn1ncc2c1CCC[C@@H]2F 107257610 573454270 /nfs/dbraw/zinc/45/42/70/573454270.db2.gz QSBVKFGRRVDWOF-ZETCQYMHSA-N 0 0 154.188 1.767 10 0 ADAERN COC(=O)CCc1cnoc1C 259612181 573454246 /nfs/dbraw/zinc/45/42/46/573454246.db2.gz DXLGYHUPHWBXKA-UHFFFAOYSA-N 0 0 169.180 1.089 10 0 ADAERN C[C@@]1(C2CCOCC2)COC(=O)C1 257817489 573454258 /nfs/dbraw/zinc/45/42/58/573454258.db2.gz DSJCWKWQIOMWLC-JTQLQIEISA-N 0 0 184.235 1.366 10 0 ADAERN C[C@@H](F)c1cnc2ccc(N)cn12 107256634 573454265 /nfs/dbraw/zinc/45/42/65/573454265.db2.gz SAHUXPKJMDVZLU-ZCFIWIBFSA-N 0 0 179.198 1.947 10 0 ADAERN O=C1[C@H]2C=C[C@H](C2)C12CC2 224918656 573454282 /nfs/dbraw/zinc/45/42/82/573454282.db2.gz FENVOVLVNLHXTK-NKWVEPMBSA-N 0 0 134.178 1.542 10 0 ADAERN C[C@@H]1CN[C@@](C)(c2ccccn2)OC1 258361006 573454299 /nfs/dbraw/zinc/45/42/99/573454299.db2.gz GGGJFTFJMZCJGG-MWLCHTKSSA-N 0 0 192.262 1.510 10 0 ADAERN Nc1ccc2ccc(C=O)cc2n1 257817405 573454301 /nfs/dbraw/zinc/45/43/01/573454301.db2.gz DRBQBEIILOMOCR-UHFFFAOYSA-N 0 0 172.187 1.630 10 0 ADAERN N=C1Nc2ccccc2NS1 142544610 573454313 /nfs/dbraw/zinc/45/43/13/573454313.db2.gz WWVCHDLYCOTZCV-UHFFFAOYSA-N 0 0 165.221 1.707 10 0 ADAERN C[C@H](O)C[C@H]1CCC[C@H]1F 259457219 573454332 /nfs/dbraw/zinc/45/43/32/573454332.db2.gz VWPPIJSNXWCVKS-XLPZGREQSA-N 0 0 146.205 1.896 10 0 ADAERN CC[C@H](C)[C@H](O)CN1C(=O)CC[C@@H]1C 308590219 573454334 /nfs/dbraw/zinc/45/43/34/573454334.db2.gz UXQQGGXFUBMDFA-LPEHRKFASA-N 0 0 199.294 1.404 10 0 ADAERN O=c1[nH]c(Cc2ccccc2)co1 142552380 573454337 /nfs/dbraw/zinc/45/43/37/573454337.db2.gz DIGXIPNWNUUZRM-UHFFFAOYSA-N 0 0 175.187 1.559 10 0 ADAERN CC(C)(C)[C@@]1(C)CCNC(=O)O1 257817143 573454340 /nfs/dbraw/zinc/45/43/40/573454340.db2.gz DPOGXCASJZWVHU-SECBINFHSA-N 0 0 171.240 1.921 10 0 ADAERN COC(=O)[C@H](F)CC(C)C 107257594 573454353 /nfs/dbraw/zinc/45/43/53/573454353.db2.gz GTXAPTOTVKVAHH-ZCFIWIBFSA-N 0 0 148.177 1.544 10 0 ADAERN CC(=O)[C@]1(O)CCC=C[C@H]1C 238401018 573454360 /nfs/dbraw/zinc/45/43/60/573454360.db2.gz JBDHWROYKRHLOP-APPZFPTMSA-N 0 0 154.209 1.293 10 0 ADAERN CCn1c(N)cnc1SC(C)C 258362005 573454375 /nfs/dbraw/zinc/45/43/75/573454375.db2.gz ZIOPGNOZPIWXJI-UHFFFAOYSA-N 0 0 185.296 1.986 10 0 ADAERN NC(=O)Nc1ccc(C=O)cc1Cl 257816879 573454377 /nfs/dbraw/zinc/45/43/77/573454377.db2.gz CCNZPQQAXDTOJX-UHFFFAOYSA-N 0 0 198.609 1.643 10 0 ADAERN CCCC[C@H](C)C(=O)c1cnn(C)n1 308590743 573454381 /nfs/dbraw/zinc/45/43/81/573454381.db2.gz VHABBIMTZLMHNR-QMMMGPOBSA-N 0 0 195.266 1.824 10 0 ADAERN Cc1nn(C)c2c1C(=O)C[C@H](C)C2 142510526 573454387 /nfs/dbraw/zinc/45/43/87/573454387.db2.gz VEERRSWBYCOKRC-ZCFIWIBFSA-N 0 0 178.235 1.494 10 0 ADAERN Cc1ccccc1[C@](C)(O)CCCO 259454787 573454388 /nfs/dbraw/zinc/45/43/88/573454388.db2.gz WGNJQEYLGWCEIQ-GFCCVEGCSA-N 0 0 194.274 1.975 10 0 ADAERN Cn1cc(O[C@H]2CCCS2)cn1 258360913 573454418 /nfs/dbraw/zinc/45/44/18/573454418.db2.gz GFGWPLFVZONAAR-MRVPVSSYSA-N 0 0 184.264 1.652 10 0 ADAERN CSCCn1cccc1[C@@H](C)O 130074554 573454466 /nfs/dbraw/zinc/45/44/66/573454466.db2.gz MLIPACITPWMVFZ-MRVPVSSYSA-N 0 0 185.292 1.904 10 0 ADAERN C[C@@H](O)C[C@@H]1C=CCCS1 238400772 573454482 /nfs/dbraw/zinc/45/44/82/573454482.db2.gz QKEARBBWKKIJNC-SFYZADRCSA-N 0 0 158.266 1.819 10 0 ADAERN OC[C@]1(O)CCCc2ccc(F)cc21 257816782 573454485 /nfs/dbraw/zinc/45/44/85/573454485.db2.gz DNNICMWOPIBNLJ-LLVKDONJSA-N 0 0 196.221 1.342 10 0 ADAERN [NH3+][C@H]1Cc2ccccc2[C@H]1F 107266086 573455071 /nfs/dbraw/zinc/45/50/71/573455071.db2.gz HERCDUGUQUZBFE-DTWKUNHWSA-N 0 0 151.184 1.581 10 0 ADAERN [NH3+][C@H]1Cc2ccccc2[C@@H]1F 107266094 573458068 /nfs/dbraw/zinc/45/80/68/573458068.db2.gz HERCDUGUQUZBFE-IUCAKERBSA-N 0 0 151.184 1.581 10 0 ADAERN NO[C@@H](CCO)C1CCCCC1 257817422 573454840 /nfs/dbraw/zinc/45/48/40/573454840.db2.gz DRIYZAPQMXQOJF-VIFPVBQESA-N 0 0 173.256 1.208 10 0 ADAERN Oc1ccn2cnc(Cl)c2c1 258360690 573454841 /nfs/dbraw/zinc/45/48/41/573454841.db2.gz RLWRGLGBDQYSCX-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN Cc1cccc(C)c1-c1nonc1N 142537054 573454842 /nfs/dbraw/zinc/45/48/42/573454842.db2.gz SZXSJGGGUCOPSG-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC[C@H](C)[C@H](C)N1CCC(=O)CC1=O 86476072 573454852 /nfs/dbraw/zinc/45/48/52/573454852.db2.gz GWCNUKDSMHTWMW-IUCAKERBSA-N 0 0 197.278 1.613 10 0 ADAERN Cn1cc(O[C@@H]2CCCS2)cn1 258360916 573454914 /nfs/dbraw/zinc/45/49/14/573454914.db2.gz GFGWPLFVZONAAR-QMMMGPOBSA-N 0 0 184.264 1.652 10 0 ADAERN C[NH+](C)C[C@@H](F)c1cccc(N)c1 107267038 573454925 /nfs/dbraw/zinc/45/49/25/573454925.db2.gz KVDYRBPJANNIJP-SNVBAGLBSA-N 0 0 182.242 1.841 10 0 ADAERN CCO[C@@H](O)c1cccnc1 142558230 573454927 /nfs/dbraw/zinc/45/49/27/573454927.db2.gz KRMMSPYQWOMMLF-MRVPVSSYSA-N 0 0 153.181 1.109 10 0 ADAERN C[C@@H]1C=CCC[C@H]1CC(N)=O 238401153 573454930 /nfs/dbraw/zinc/45/49/30/573454930.db2.gz CTPAOPPYSMSGLE-SFYZADRCSA-N 0 0 153.225 1.464 10 0 ADAERN CC(=O)CNc1cccc(F)c1 258658488 573454934 /nfs/dbraw/zinc/45/49/34/573454934.db2.gz NJUIHELVSLYBOW-UHFFFAOYSA-N 0 0 167.183 1.827 10 0 ADAERN COc1ncc(C(F)F)cc1C=O 238406148 573454949 /nfs/dbraw/zinc/45/49/49/573454949.db2.gz FNVGAPWXERBJIU-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN C[C@]1(O)C[C@@H]2CCCC[C@@H]21 166271192 573454962 /nfs/dbraw/zinc/45/49/62/573454962.db2.gz DUUIKCGXSYAEDK-CIUDSAMLSA-N 0 0 140.226 1.948 10 0 ADAERN C[NH+](C)C[C@H](F)c1cccc(N)c1 107267034 573454968 /nfs/dbraw/zinc/45/49/68/573454968.db2.gz KVDYRBPJANNIJP-JTQLQIEISA-N 0 0 182.242 1.841 10 0 ADAERN CC[C@H](C)[C@H](O)CN1C(=O)CC[C@H]1C 308590218 573455002 /nfs/dbraw/zinc/45/50/02/573455002.db2.gz UXQQGGXFUBMDFA-IVZWLZJFSA-N 0 0 199.294 1.404 10 0 ADAERN O[C@@H]1CCCn2cc(C3CCC3)nc21 258361825 573455024 /nfs/dbraw/zinc/45/50/24/573455024.db2.gz LVECTAXGQJUOBC-SNVBAGLBSA-N 0 0 192.262 1.978 10 0 ADAERN Cc1cccc([C@H](C)O)c1C[C@@H](C)O 238401560 573455054 /nfs/dbraw/zinc/45/50/54/573455054.db2.gz ZYNZASOKKUSELW-ZJUUUORDSA-N 0 0 194.274 1.972 10 0 ADAERN COC(=O)[C@@H]1CCCC[C@H]1F 107265760 573455051 /nfs/dbraw/zinc/45/50/51/573455051.db2.gz LNGOBMQOYMNVKG-RNFRBKRXSA-N 0 0 160.188 1.688 10 0 ADAERN COc1cc2c(CO)c[nH]c2cc1C 238402403 573456661 /nfs/dbraw/zinc/45/66/61/573456661.db2.gz WWASEFNVAFZNEQ-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN C[C@@H]1C=C[C@@H]2CCC(=O)[C@H]21 238403839 573456737 /nfs/dbraw/zinc/45/67/37/573456737.db2.gz GWVXUVDATLYBFR-BHNWBGBOSA-N 0 0 136.194 1.788 10 0 ADAERN Cc1cc2c(cc1[C@@H](C)CO)OCO2 257814059 573456758 /nfs/dbraw/zinc/45/67/58/573456758.db2.gz AIHLQBUVFSMPNV-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN CCCC[C@H](NN)[C@H]1OCC[C@H]1C 130171939 573456760 /nfs/dbraw/zinc/45/67/60/573456760.db2.gz KVUOMABLQFDILS-UTLUCORTSA-N 0 0 186.299 1.434 10 0 ADAERN COc1cncc([C@@H]2CCC[C@@H]2O)c1 124389679 573455379 /nfs/dbraw/zinc/45/53/79/573455379.db2.gz YEORTFRASNGWIG-QWRGUYRKSA-N 0 0 193.246 1.719 10 0 ADAERN Cc1cc2c(O)cccc2c(=O)n1C 258354118 573455382 /nfs/dbraw/zinc/45/53/82/573455382.db2.gz WBXAXPBVZFXRFH-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN CO[C@H]1COc2cccc(C)c2C1=O 238401690 573455395 /nfs/dbraw/zinc/45/53/95/573455395.db2.gz IQIMDTUDTXHLHB-VIFPVBQESA-N 0 0 192.214 1.585 10 0 ADAERN COc1cncc([C@@H]2CCC[C@H]2O)c1 124390088 573455404 /nfs/dbraw/zinc/45/54/04/573455404.db2.gz YEORTFRASNGWIG-WDEREUQCSA-N 0 0 193.246 1.719 10 0 ADAERN C[C@@H]1CNCC(F)(F)C1 107262977 573455410 /nfs/dbraw/zinc/45/54/10/573455410.db2.gz LHQXVTMGZVGJMU-YFKPBYRVSA-N 0 0 135.157 1.251 10 0 ADAERN C[C@@H]1OC(=O)CC[C@]1(C)CCO 238401753 573455422 /nfs/dbraw/zinc/45/54/22/573455422.db2.gz SKMHFRSAUANFGQ-IONNQARKSA-N 0 0 172.224 1.101 10 0 ADAERN COc1ccccc1C[C@@H](CO)OC 257814215 573455445 /nfs/dbraw/zinc/45/54/45/573455445.db2.gz CLGJPRPBLGFUTL-JTQLQIEISA-N 0 0 196.246 1.245 10 0 ADAERN [NH3+][C@@H]1CN(c2ccccc2)C[C@H]1F 107266765 573455458 /nfs/dbraw/zinc/45/54/58/573455458.db2.gz FNNDVDPGZRRSGF-NXEZZACHSA-N 0 0 180.226 1.172 10 0 ADAERN Cc1nc(N)nn1C1CCCC1 86475318 573455476 /nfs/dbraw/zinc/45/54/76/573455476.db2.gz CLIBQGIVOFVAIB-UHFFFAOYSA-N 0 0 166.228 1.284 10 0 ADAERN C/C=C\C(=O)N1CCC[C@]12CCOC2 308590972 573455523 /nfs/dbraw/zinc/45/55/23/573455523.db2.gz VJQQWBNYARCMSM-CJHWANRJSA-N 0 0 195.262 1.344 10 0 ADAERN CCCC[C@@H](C[C@@H](C)COC)NN 130170238 573455541 /nfs/dbraw/zinc/45/55/41/573455541.db2.gz IDURJMOALHHTNR-ZJUUUORDSA-N 0 0 188.315 1.681 10 0 ADAERN C[C@@H]1CCn2cnc(CN(C)C)c2C1 258361019 573455599 /nfs/dbraw/zinc/45/55/99/573455599.db2.gz RPBGKXCGGJMTQD-SECBINFHSA-N 0 0 193.294 1.527 10 0 ADAERN C[C@H](O)[C@@H](O)Cc1ccsc1 235601859 573456743 /nfs/dbraw/zinc/45/67/43/573456743.db2.gz QOUQUSDBKPXCCT-XPUUQOCRSA-N 0 0 172.249 1.032 10 0 ADAERN Cc1csc([C@@H]2C[C@H](F)C[NH2+]2)n1 107266857 573455607 /nfs/dbraw/zinc/45/56/07/573455607.db2.gz HAUNYMXZYSACLZ-BQBZGAKWSA-N 0 0 186.255 1.824 10 0 ADAERN CCOC(=O)C1=CCC[C@@H]1[C@H](C)CO 308591481 573455613 /nfs/dbraw/zinc/45/56/13/573455613.db2.gz PDEGXPMURYXDAJ-RKDXNWHRSA-N 0 0 198.262 1.514 10 0 ADAERN CO[C@@H](C1CC1)[C@H](NN)C(C)(C)C 124402423 573455625 /nfs/dbraw/zinc/45/56/25/573455625.db2.gz MFFQOYDDEDXGEK-IUCAKERBSA-N 0 0 186.299 1.289 10 0 ADAERN FC[C@H]1CCCO1 107263205 573455628 /nfs/dbraw/zinc/45/56/28/573455628.db2.gz VQWOHDSQFUHPFS-RXMQYKEDSA-N 0 0 104.124 1.135 10 0 ADAERN Cc1sc(N)nc1CF 107263213 573455645 /nfs/dbraw/zinc/45/56/45/573455645.db2.gz DGBUGOAOKPRPDK-UHFFFAOYSA-N 0 0 146.190 1.503 10 0 ADAERN C[C@H]1CCn2cnc(CN(C)C)c2C1 258361023 573455651 /nfs/dbraw/zinc/45/56/51/573455651.db2.gz RPBGKXCGGJMTQD-VIFPVBQESA-N 0 0 193.294 1.527 10 0 ADAERN CN[C@@H](N)c1cc(C)cc(C)c1OC 259454932 573456747 /nfs/dbraw/zinc/45/67/47/573456747.db2.gz QPINOPAAFCKNPC-LLVKDONJSA-N 0 0 194.278 1.489 10 0 ADAERN C[NH+](C)C[C@@H](F)c1ccc(N)cc1 107267030 573455663 /nfs/dbraw/zinc/45/56/63/573455663.db2.gz RRZXOJGUIPIKQK-SNVBAGLBSA-N 0 0 182.242 1.841 10 0 ADAERN COCc1nnc2ccc(Cl)cn12 258661595 573455670 /nfs/dbraw/zinc/45/56/70/573455670.db2.gz XGRZYWGNYKNDEI-UHFFFAOYSA-N 0 0 197.625 1.529 10 0 ADAERN C[C@H]1CNC(=O)N1c1ccccc1N 257817744 573455682 /nfs/dbraw/zinc/45/56/82/573455682.db2.gz DYYDJNKPSVFOQH-ZETCQYMHSA-N 0 0 191.234 1.187 10 0 ADAERN C[C@@H](O)c1ncnc(Cl)c1Cl 107262116 573455707 /nfs/dbraw/zinc/45/57/07/573455707.db2.gz CVHZFUADPTWUGY-GSVOUGTGSA-N 0 0 193.033 1.837 10 0 ADAERN C[C@H](O)C[C@@H]1CCC[C@H]1F 259457214 573455722 /nfs/dbraw/zinc/45/57/22/573455722.db2.gz VWPPIJSNXWCVKS-BIIVOSGPSA-N 0 0 146.205 1.896 10 0 ADAERN CCCc1cn2c(n1)[C@H](O)CCC2 258361620 573456763 /nfs/dbraw/zinc/45/67/63/573456763.db2.gz LUCHCJLBGSFBFA-SECBINFHSA-N 0 0 180.251 1.663 10 0 ADAERN CC(C)c1ncc2n1[C@@H](O)CCC2 258365399 573455735 /nfs/dbraw/zinc/45/57/35/573455735.db2.gz SDTLEZCRAVZOHD-VIFPVBQESA-N 0 0 180.251 1.834 10 0 ADAERN O=C1CC(=O)N(C[C@H]2CC=CCC2)C1 86475703 573456755 /nfs/dbraw/zinc/45/67/55/573456755.db2.gz RVMYUJIEHUTDPW-VIFPVBQESA-N 0 0 193.246 1.144 10 0 ADAERN CO[C@@]1(CO)CCc2c(F)cccc21 257814179 573455770 /nfs/dbraw/zinc/45/57/70/573455770.db2.gz CJPJTVZLOWLXAR-LLVKDONJSA-N 0 0 196.221 1.606 10 0 ADAERN C[C@H](N)c1nnc(-c2ccco2)s1 83280170 573455782 /nfs/dbraw/zinc/45/57/82/573455782.db2.gz PISXYKJKOVATDR-YFKPBYRVSA-N 0 0 195.247 1.818 10 0 ADAERN CCOC(=O)C1=CCC[C@H]1[C@H](C)CO 308591471 573455783 /nfs/dbraw/zinc/45/57/83/573455783.db2.gz PDEGXPMURYXDAJ-BDAKNGLRSA-N 0 0 198.262 1.514 10 0 ADAERN CO[C@H]1CCC(=O)[C@H]1C 107264701 573455784 /nfs/dbraw/zinc/45/57/84/573455784.db2.gz BBUYISZMAZWASE-VDTYLAMSSA-N 0 0 128.171 1.000 10 0 ADAERN C[C@H]1C[C@H](O)c2cccc(O)c2N1 257817789 573455788 /nfs/dbraw/zinc/45/57/88/573455788.db2.gz DTMIGHCIYUNGOJ-RCOVLWMOSA-N 0 0 179.219 1.630 10 0 ADAERN CC[C@@H](C)[C@H](C)N1CCC(=O)CC1=O 86476071 573455790 /nfs/dbraw/zinc/45/57/90/573455790.db2.gz GWCNUKDSMHTWMW-BDAKNGLRSA-N 0 0 197.278 1.613 10 0 ADAERN CN1C[C@H](c2cccs2)NC1=O 259456473 573455791 /nfs/dbraw/zinc/45/57/91/573455791.db2.gz NEGKONBLWNJOCC-ZCFIWIBFSA-N 0 0 182.248 1.444 10 0 ADAERN CC(=O)c1nc(C)c2c(n1)CCCC2 257817720 573455810 /nfs/dbraw/zinc/45/58/10/573455810.db2.gz DXURUCGQNPBIJY-UHFFFAOYSA-N 0 0 190.246 1.866 10 0 ADAERN CC(=O)[C@@]1(O)CCC=C[C@H]1C 238401300 573455824 /nfs/dbraw/zinc/45/58/24/573455824.db2.gz JBDHWROYKRHLOP-VXNVDRBHSA-N 0 0 154.209 1.293 10 0 ADAERN Cc1cccc2c1C[C@@H](CCO)N2C 258354738 573455825 /nfs/dbraw/zinc/45/58/25/573455825.db2.gz YUOMWFDUHOUIJD-SNVBAGLBSA-N 0 0 191.274 1.738 10 0 ADAERN OC[C@@H]1Nc2ccccc2[C@@H]2C[C@H]12 257814011 573455828 /nfs/dbraw/zinc/45/58/28/573455828.db2.gz CIDFFDKVRQWUJD-QXEWZRGKSA-N 0 0 175.231 1.577 10 0 ADAERN CO[C@H]1COc2ccc(N)cc2C1 257817800 573455856 /nfs/dbraw/zinc/45/58/56/573455856.db2.gz DTOHDBNPXSJYNA-SECBINFHSA-N 0 0 179.219 1.219 10 0 ADAERN C[C@@H]1C=CCC(=O)[C@@]12CCCC2=O 238400506 573455871 /nfs/dbraw/zinc/45/58/71/573455871.db2.gz PXEHDDJPBFJFCA-LDYMZIIASA-N 0 0 178.231 1.891 10 0 ADAERN CC[C@@H](C(C)C)N1CC(=O)CC1=O 86475579 573455882 /nfs/dbraw/zinc/45/58/82/573455882.db2.gz RNISVNILMWCTHZ-VIFPVBQESA-N 0 0 183.251 1.222 10 0 ADAERN OC[C@@H]1O[C@H]1c1ccsc1 142621639 573455889 /nfs/dbraw/zinc/45/58/89/573455889.db2.gz INGWFEPJVGYKLL-BQBZGAKWSA-N 0 0 156.206 1.180 10 0 ADAERN Cc1cccc(N2CC(=O)CC2=O)c1 86475468 573455893 /nfs/dbraw/zinc/45/58/93/573455893.db2.gz CDZCHELLVVPSPM-UHFFFAOYSA-N 0 0 189.214 1.301 10 0 ADAERN CCC[C@@H]1N[C@H](C)N([C@@H]2C[C@@H]2C)C1=O 124398122 573455905 /nfs/dbraw/zinc/45/59/05/573455905.db2.gz YIYFDBYQOSAHCG-AATLWQCWSA-N 0 0 196.294 1.341 10 0 ADAERN C[C@H]1CCCC[C@@H]1N1CC(=O)CC1=O 86475459 573456770 /nfs/dbraw/zinc/45/67/70/573456770.db2.gz QIMDQCQBYQFZNZ-WPRPVWTQSA-N 0 0 195.262 1.367 10 0 ADAERN CC[C@H](C)[C@@H](C)N1CCC(=O)CC1=O 86476070 573455915 /nfs/dbraw/zinc/45/59/15/573455915.db2.gz GWCNUKDSMHTWMW-DTWKUNHWSA-N 0 0 197.278 1.613 10 0 ADAERN C[C@H]1CCC[C@@H](N2CC(=O)CC2=O)C1 86475505 573455924 /nfs/dbraw/zinc/45/59/24/573455924.db2.gz FGFQDDZYVPWTBL-DTWKUNHWSA-N 0 0 195.262 1.367 10 0 ADAERN CSc1ccc2nccnc2n1 142646269 573455925 /nfs/dbraw/zinc/45/59/25/573455925.db2.gz LRQKRMBEMREFRL-UHFFFAOYSA-N 0 0 177.232 1.747 10 0 ADAERN CCOc1cncc([C@H](C)[C@H](C)O)c1 124393415 573455929 /nfs/dbraw/zinc/45/59/29/573455929.db2.gz GBJXUOKUNGDFBQ-BDAKNGLRSA-N 0 0 195.262 1.965 10 0 ADAERN CSC(=N)NC(=O)c1ccco1 238401072 573455938 /nfs/dbraw/zinc/45/59/38/573455938.db2.gz IGRZSPXPGPFWHW-UHFFFAOYSA-N 0 0 184.220 1.307 10 0 ADAERN O[C@H](CCc1ccccc1)C1(O)CC1 308590821 573455939 /nfs/dbraw/zinc/45/59/39/573455939.db2.gz OSDSTLFTEMKDCB-LLVKDONJSA-N 0 0 192.258 1.505 10 0 ADAERN COc1ccc([C@@H](N)C(F)(F)F)o1 238400704 573455952 /nfs/dbraw/zinc/45/59/52/573455952.db2.gz HDESVPAKCWWMHA-ZCFIWIBFSA-N 0 0 195.140 1.850 10 0 ADAERN CC/C=C/CONC 258497837 573455953 /nfs/dbraw/zinc/45/59/53/573455953.db2.gz DBYJPWIGWCPHCL-SNAWJCMRSA-N 0 0 115.176 1.104 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Cc1nccn1C 86486038 573455961 /nfs/dbraw/zinc/45/59/61/573455961.db2.gz AXTWVQLPGSGJTA-SFYZADRCSA-N 0 0 178.235 1.188 10 0 ADAERN C[C@H](C1CCCC1)N1CC(=O)CC1=O 86475808 573455971 /nfs/dbraw/zinc/45/59/71/573455971.db2.gz AHYVNQFCSBPCIC-MRVPVSSYSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H](CCO)[C@](C)(O)c1ccccc1 308591139 573455973 /nfs/dbraw/zinc/45/59/73/573455973.db2.gz PABPMLADMTUHEY-JQWIXIFHSA-N 0 0 194.274 1.913 10 0 ADAERN CCC(CC)CNC(=O)[C@H]1C[C@@H]1OC 689955649 573455976 /nfs/dbraw/zinc/45/59/76/573455976.db2.gz LITXOFXEINFYHJ-UWVGGRQHSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@@H]1N[C@H](C)CCC1(F)F 107262991 573455991 /nfs/dbraw/zinc/45/59/91/573455991.db2.gz BDLQJPCJUXEIPG-RITPCOANSA-N 0 0 149.184 1.782 10 0 ADAERN O=c1nncc(-c2cccc(F)c2)[nH]1 257817753 573456000 /nfs/dbraw/zinc/45/60/00/573456000.db2.gz DZNMNPSWPYPUKH-UHFFFAOYSA-N 0 0 191.165 1.383 10 0 ADAERN C[NH2+]C(C)(C)c1ccc(C(=O)[O-])cc1 259456424 573456009 /nfs/dbraw/zinc/45/60/09/573456009.db2.gz KUNUQHLNHGCOSF-UHFFFAOYSA-N 0 0 193.246 1.839 10 0 ADAERN C[C@H]1CNCC(F)(F)C1 107262973 573456012 /nfs/dbraw/zinc/45/60/12/573456012.db2.gz LHQXVTMGZVGJMU-RXMQYKEDSA-N 0 0 135.157 1.251 10 0 ADAERN O=C1CCN(C2CCCC2)C(=O)C1 86475958 573456044 /nfs/dbraw/zinc/45/60/44/573456044.db2.gz PYZXMRVODYMIRX-UHFFFAOYSA-N 0 0 181.235 1.121 10 0 ADAERN COc1ccc(OC)c([C@H](N)OC)c1 259456231 573456104 /nfs/dbraw/zinc/45/61/04/573456104.db2.gz OMDMGJLIGHSGPW-SNVBAGLBSA-N 0 0 197.234 1.308 10 0 ADAERN OC[C@@H](CC1COC1)c1ccncc1 258497747 573456132 /nfs/dbraw/zinc/45/61/32/573456132.db2.gz CZEKNDLKUUQMTI-LLVKDONJSA-N 0 0 193.246 1.194 10 0 ADAERN COC(=O)C(C)(C)c1ncncc1C 259612180 573456137 /nfs/dbraw/zinc/45/61/37/573456137.db2.gz DXGKQQQNUVTWCW-UHFFFAOYSA-N 0 0 194.234 1.236 10 0 ADAERN C[C@@H]1OC(=O)CC[C@@]1(C)CCO 238401683 573456161 /nfs/dbraw/zinc/45/61/61/573456161.db2.gz SKMHFRSAUANFGQ-CBAPKCEASA-N 0 0 172.224 1.101 10 0 ADAERN C[C@]1(CO)COC(=O)N1C1CCCC1 258355134 573456184 /nfs/dbraw/zinc/45/61/84/573456184.db2.gz WEDBVRSVULWLKW-JTQLQIEISA-N 0 0 199.250 1.132 10 0 ADAERN C[C@H]1CCC[C@H]1N1CCC(=O)CC1=O 86476198 573456783 /nfs/dbraw/zinc/45/67/83/573456783.db2.gz LCGNAVHVLDROLV-WCBMZHEXSA-N 0 0 195.262 1.367 10 0 ADAERN O=C1CC(=O)N(C2CCCCC2)C1 86475446 573456185 /nfs/dbraw/zinc/45/61/85/573456185.db2.gz WVGAIWXUVSQKND-UHFFFAOYSA-N 0 0 181.235 1.121 10 0 ADAERN CC[C@H](C)[C@@H](O)CN1C(=O)CC[C@@H]1C 308590217 573456186 /nfs/dbraw/zinc/45/61/86/573456186.db2.gz UXQQGGXFUBMDFA-GUBZILKMSA-N 0 0 199.294 1.404 10 0 ADAERN O=C1CC(=O)N(CCC2CCCC2)C1 86475551 573456196 /nfs/dbraw/zinc/45/61/96/573456196.db2.gz SFVZUFNXRPZDRO-UHFFFAOYSA-N 0 0 195.262 1.368 10 0 ADAERN C[C@@H]1CC[C@@H](N2CC(=O)CC2=O)[C@@H]1C 86475856 573456212 /nfs/dbraw/zinc/45/62/12/573456212.db2.gz INBKPOFVLPFVGU-NQMVMOMDSA-N 0 0 195.262 1.222 10 0 ADAERN NC(=O)c1nc(C2CCC2)cs1 259456039 573456235 /nfs/dbraw/zinc/45/62/35/573456235.db2.gz ZRUZMQNHUXVEJA-UHFFFAOYSA-N 0 0 182.248 1.510 10 0 ADAERN CCn1[nH]c(=O)cc1[C@@H]1CCCCO1 257814261 573456253 /nfs/dbraw/zinc/45/62/53/573456253.db2.gz CNKSDNYVUVAWDY-VIFPVBQESA-N 0 0 196.250 1.850 10 0 ADAERN Nc1nc(CCF)cs1 107263218 573456259 /nfs/dbraw/zinc/45/62/59/573456259.db2.gz BKPGBHSEUFRSQH-UHFFFAOYSA-N 0 0 146.190 1.237 10 0 ADAERN C[C@H]1CCC(F)(F)[C@@H](C)N1 107263002 573456268 /nfs/dbraw/zinc/45/62/68/573456268.db2.gz BDLQJPCJUXEIPG-NTSWFWBYSA-N 0 0 149.184 1.782 10 0 ADAERN CSc1c(F)ccc(N)c1O 238402440 573456790 /nfs/dbraw/zinc/45/67/90/573456790.db2.gz IJEDNTOIGZCYRN-UHFFFAOYSA-N 0 0 173.212 1.835 10 0 ADAERN C[C@@H](O)c1cc(Cl)ncn1 107261831 573456292 /nfs/dbraw/zinc/45/62/92/573456292.db2.gz CDZZAESZTOUQQZ-SCSAIBSYSA-N 0 0 158.588 1.183 10 0 ADAERN COC(=O)[C@H]1CCCC[C@@H]1F 107265757 573456302 /nfs/dbraw/zinc/45/63/02/573456302.db2.gz LNGOBMQOYMNVKG-BQBZGAKWSA-N 0 0 160.188 1.688 10 0 ADAERN C[C@@H]1Oc2cc(N(C)C)ccc2C1=O 142647103 573456307 /nfs/dbraw/zinc/45/63/07/573456307.db2.gz ZAFPJEBJIRGLJG-ZETCQYMHSA-N 0 0 191.230 1.716 10 0 ADAERN C[C@H](CCO)[C@@](C)(O)c1ccccc1 308591141 573456308 /nfs/dbraw/zinc/45/63/08/573456308.db2.gz PABPMLADMTUHEY-ZYHUDNBSSA-N 0 0 194.274 1.913 10 0 ADAERN C[C@H]1CN[C@](C)(c2ccccn2)OC1 258361008 573456310 /nfs/dbraw/zinc/45/63/10/573456310.db2.gz GGGJFTFJMZCJGG-ONGXEEELSA-N 0 0 192.262 1.510 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1nccn1C 86486042 573456317 /nfs/dbraw/zinc/45/63/17/573456317.db2.gz AXTWVQLPGSGJTA-YUMQZZPRSA-N 0 0 178.235 1.188 10 0 ADAERN CCn1oc(=O)c2cccc(N)c21 257817806 573456320 /nfs/dbraw/zinc/45/63/20/573456320.db2.gz DTOLZCZRKJSSQA-UHFFFAOYSA-N 0 0 178.191 1.197 10 0 ADAERN OC[C@@H]1O[C@@H]1c1ccsc1 142621244 573456340 /nfs/dbraw/zinc/45/63/40/573456340.db2.gz INGWFEPJVGYKLL-NKWVEPMBSA-N 0 0 156.206 1.180 10 0 ADAERN O=Cc1ccc(N2CC(F)(F)C2)cc1 257814211 573456354 /nfs/dbraw/zinc/45/63/54/573456354.db2.gz CKXZGZMMGGHODJ-UHFFFAOYSA-N 0 0 197.184 1.954 10 0 ADAERN OC[C@H](CC1COC1)c1ccncc1 258497748 573456359 /nfs/dbraw/zinc/45/63/59/573456359.db2.gz CZEKNDLKUUQMTI-NSHDSACASA-N 0 0 193.246 1.194 10 0 ADAERN C[C@H](O)C[C@@H]1CCC[C@@H]1F 259457216 573456795 /nfs/dbraw/zinc/45/67/95/573456795.db2.gz VWPPIJSNXWCVKS-FXQIFTODSA-N 0 0 146.205 1.896 10 0 ADAERN CN(C)c1ccc(Cl)c(CO)c1 142679784 573456367 /nfs/dbraw/zinc/45/63/67/573456367.db2.gz KSYAUZQKSOIOBW-UHFFFAOYSA-N 0 0 185.654 1.898 10 0 ADAERN C[C@H](O)C(F)(F)C1CCOCC1 257817959 573456368 /nfs/dbraw/zinc/45/63/68/573456368.db2.gz DWIIWRQHBYPXIK-LURJTMIESA-N 0 0 180.194 1.429 10 0 ADAERN CCOC(=O)[C@@H](C)CF 107263596 573456371 /nfs/dbraw/zinc/45/63/71/573456371.db2.gz LHKXNXFCZXTPJK-YFKPBYRVSA-N 0 0 134.150 1.155 10 0 ADAERN CC[C@@H](C(C)C)N1CCC(=O)CC1=O 86476084 573456373 /nfs/dbraw/zinc/45/63/73/573456373.db2.gz DWRVTQDLSYNILI-JTQLQIEISA-N 0 0 197.278 1.613 10 0 ADAERN C[C@H]1CN[C@@](C)(c2ccccn2)OC1 258361001 573456376 /nfs/dbraw/zinc/45/63/76/573456376.db2.gz GGGJFTFJMZCJGG-GXSJLCMTSA-N 0 0 192.262 1.510 10 0 ADAERN C[C@@H]1[C@@H]2CCCC[C@@H]2[C@H](C(=O)[O-])[N@@H+]1C 107266427 573456377 /nfs/dbraw/zinc/45/63/77/573456377.db2.gz XNIPCWIEQUBJAY-XFWSIPNHSA-N 0 0 197.278 1.580 10 0 ADAERN CNc1nccc(COCC(C)C)n1 308591108 573456385 /nfs/dbraw/zinc/45/63/85/573456385.db2.gz OWWRLBQPIFEXEZ-UHFFFAOYSA-N 0 0 195.266 1.691 10 0 ADAERN CCCC[C@@H](C[C@H](C)COC)NN 130170659 573456386 /nfs/dbraw/zinc/45/63/86/573456386.db2.gz IDURJMOALHHTNR-UWVGGRQHSA-N 0 0 188.315 1.681 10 0 ADAERN Nc1oncc1[C@H]1CCCSC1 257817855 573456393 /nfs/dbraw/zinc/45/63/93/573456393.db2.gz DUGJZLXSVLGDBL-LURJTMIESA-N 0 0 184.264 1.867 10 0 ADAERN CCOC(=O)[C@@H](C)NCCC1CCC1 130187247 573456397 /nfs/dbraw/zinc/45/63/97/573456397.db2.gz JUTZDEXMZAMHIV-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CCC(CC)N1CCC(=O)CC1=O 86475959 573456716 /nfs/dbraw/zinc/45/67/16/573456716.db2.gz RGMYMXBGARTXHM-UHFFFAOYSA-N 0 0 183.251 1.367 10 0 ADAERN Cc1ccc([C@@H]2OC[C@H](CCO)O2)o1 258496133 573456417 /nfs/dbraw/zinc/45/64/17/573456417.db2.gz FSGROGBAPLEZPE-WCBMZHEXSA-N 0 0 198.218 1.384 10 0 ADAERN Nc1noc2c1C(F)(F)CCC2 257814017 573456421 /nfs/dbraw/zinc/45/64/21/573456421.db2.gz CIJKNJHOBPRZGY-UHFFFAOYSA-N 0 0 174.150 1.685 10 0 ADAERN C[C@@H]1CCC[C@@H]1N1CCC(=O)CC1=O 86476195 573456458 /nfs/dbraw/zinc/45/64/58/573456458.db2.gz LCGNAVHVLDROLV-SCZZXKLOSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H](C1CCCC1)N1CC(=O)CC1=O 86475807 573456486 /nfs/dbraw/zinc/45/64/86/573456486.db2.gz AHYVNQFCSBPCIC-QMMMGPOBSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@]1(CO)COC(=O)N1C1CCCC1 258355141 573456490 /nfs/dbraw/zinc/45/64/90/573456490.db2.gz WEDBVRSVULWLKW-SNVBAGLBSA-N 0 0 199.250 1.132 10 0 ADAERN C[C@]1(c2cccc(O)c2)C[C@H]1CO 257817879 573456719 /nfs/dbraw/zinc/45/67/19/573456719.db2.gz DUVUJEQNUBPHFC-GXSJLCMTSA-N 0 0 178.231 1.662 10 0 ADAERN Clc1ccc([C@@H]2CCNN2)cc1 257813972 573456553 /nfs/dbraw/zinc/45/65/53/573456553.db2.gz CGJDQKRHINMBCE-VIFPVBQESA-N 0 0 182.654 1.879 10 0 ADAERN C[C@@H](CC1CC1)N1CCC(=O)CC1=O 86476226 573456556 /nfs/dbraw/zinc/45/65/56/573456556.db2.gz GESPUDFSXKDAIY-QMMMGPOBSA-N 0 0 195.262 1.367 10 0 ADAERN Nc1ccc(C[C@@H]2CCCS2)nn1 259456320 573456574 /nfs/dbraw/zinc/45/65/74/573456574.db2.gz MYBJTGXQYHLIME-QMMMGPOBSA-N 0 0 195.291 1.497 10 0 ADAERN CCOC(=O)C1=CCC[C@@H]1[C@@H](C)CO 308591472 573456588 /nfs/dbraw/zinc/45/65/88/573456588.db2.gz PDEGXPMURYXDAJ-DTWKUNHWSA-N 0 0 198.262 1.514 10 0 ADAERN CC(=O)NC(=O)c1ccccc1C 142666473 573456603 /nfs/dbraw/zinc/45/66/03/573456603.db2.gz ZSFHUZUJASSCQO-UHFFFAOYSA-N 0 0 177.203 1.271 10 0 ADAERN COC[C@@H]1CNc2c(O)cccc2C1 257814245 573456613 /nfs/dbraw/zinc/45/66/13/573456613.db2.gz CMHXNOUYLWDOKX-QMMMGPOBSA-N 0 0 193.246 1.623 10 0 ADAERN C[N@H+](CC1(C)CCC1)C(C)(C)C(=O)[O-] 308591669 573456618 /nfs/dbraw/zinc/45/66/18/573456618.db2.gz VUTQBSCXPSAMMP-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1nc(N)nn1C1CCCCC1 86475319 573456631 /nfs/dbraw/zinc/45/66/31/573456631.db2.gz SICGNMGKFHDCBX-UHFFFAOYSA-N 0 0 180.255 1.674 10 0 ADAERN C[C@@H]1C[C@H](O)c2cccc(O)c2N1 257817786 573456638 /nfs/dbraw/zinc/45/66/38/573456638.db2.gz DTMIGHCIYUNGOJ-MUWHJKNJSA-N 0 0 179.219 1.630 10 0 ADAERN C[C@@H]1CCC[C@H]1N1CCC(=O)CC1=O 86476197 573456648 /nfs/dbraw/zinc/45/66/48/573456648.db2.gz LCGNAVHVLDROLV-PSASIEDQSA-N 0 0 195.262 1.367 10 0 ADAERN CCc1cnc(CCCO)o1 259457220 573456657 /nfs/dbraw/zinc/45/66/57/573456657.db2.gz VWVSBXKJJLJEEL-UHFFFAOYSA-N 0 0 155.197 1.162 10 0 ADAERN COC(=O)[C@@H]1CCCC[C@@H]1F 107265755 573456669 /nfs/dbraw/zinc/45/66/69/573456669.db2.gz LNGOBMQOYMNVKG-RQJHMYQMSA-N 0 0 160.188 1.688 10 0 ADAERN OCC/C=C\C1CCC1 258362535 573456683 /nfs/dbraw/zinc/45/66/83/573456683.db2.gz ZLKARVHRHOPTRP-RJRFIUFISA-N 0 0 126.199 1.725 10 0 ADAERN COc1cnc(C)cc1C(C)=O 238402217 573456701 /nfs/dbraw/zinc/45/67/01/573456701.db2.gz UEOLRBYMOLPQFI-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN CO[C@H](CO)Cc1cccc(C)c1 257817932 573456702 /nfs/dbraw/zinc/45/67/02/573456702.db2.gz DVSATILOZLXNSM-NSHDSACASA-N 0 0 180.247 1.545 10 0 ADAERN C[C@@H]1OC(=O)N[C@H]1c1nccs1 238403506 573456708 /nfs/dbraw/zinc/45/67/08/573456708.db2.gz NYZAIUBULVFCCN-CRCLSJGQSA-N 0 0 184.220 1.313 10 0 ADAERN CC(C)[C@H](C)N1CCC(=O)CC1=O 86476007 573456709 /nfs/dbraw/zinc/45/67/09/573456709.db2.gz MRMMKPAGXTYSJK-QMMMGPOBSA-N 0 0 183.251 1.222 10 0 ADAERN Cc1ccccc1[C@H]1[NH2+]C[C@H]1C(=O)[O-] 257817709 573456710 /nfs/dbraw/zinc/45/67/10/573456710.db2.gz DXKKCCUIFZEYRB-NXEZZACHSA-N 0 0 191.230 1.340 10 0 ADAERN C[C@H]1NC(=O)CCc2ccccc21 142617313 573456711 /nfs/dbraw/zinc/45/67/11/573456711.db2.gz RUUPLMIORUHOJA-MRVPVSSYSA-N 0 0 175.231 1.810 10 0 ADAERN COC(=O)c1ccc2c(c1)OCC2=O 238403462 573456799 /nfs/dbraw/zinc/45/67/99/573456799.db2.gz WDJGNBDVNUJRHP-UHFFFAOYSA-N 0 0 192.170 1.048 10 0 ADAERN COc1cccc2c1NC(=O)C2(F)F 238403736 573458184 /nfs/dbraw/zinc/45/81/84/573458184.db2.gz RKKGTUFUTHXNCA-UHFFFAOYSA-N 0 0 199.156 1.739 10 0 ADAERN Cc1nc(N)nn1CCC(C)C 86475328 573458188 /nfs/dbraw/zinc/45/81/88/573458188.db2.gz OVEGHXMNSXLSKG-UHFFFAOYSA-N 0 0 168.244 1.215 10 0 ADAERN O=c1cc2cc(CF)occ-2o1 107263152 573458217 /nfs/dbraw/zinc/45/82/17/573458217.db2.gz XOTGHLTWOBSOEM-UHFFFAOYSA-N 0 0 168.123 1.807 10 0 ADAERN C/C=C/[C@@H](C)F 107265562 573458155 /nfs/dbraw/zinc/45/81/55/573458155.db2.gz LZUVXWHJKUVDMO-QLSVQJPWSA-N 0 0 88.125 1.921 10 0 ADAERN C[C@@H]1CCCNC(=O)C1(Cl)Cl 238403401 573457962 /nfs/dbraw/zinc/45/79/62/573457962.db2.gz INPIGXHRVLCQIA-RXMQYKEDSA-N 0 0 196.077 1.706 10 0 ADAERN COC(=O)c1ccc(C(F)F)cn1 107267560 573457966 /nfs/dbraw/zinc/45/79/66/573457966.db2.gz JNXHKCWFXZKBRW-UHFFFAOYSA-N 0 0 187.145 1.806 10 0 in-vitro ADAERN FC[C@@H]1CCCO1 107263209 573457972 /nfs/dbraw/zinc/45/79/72/573457972.db2.gz VQWOHDSQFUHPFS-YFKPBYRVSA-N 0 0 104.124 1.135 10 0 ADAERN Cc1nccc(CF)n1 107265461 573457986 /nfs/dbraw/zinc/45/79/86/573457986.db2.gz MBHQMEOCNHTKIM-UHFFFAOYSA-N 0 0 126.134 1.255 10 0 ADAERN CN1CCC[C@@H]1c1cc(Cl)cnn1 259458552 573458002 /nfs/dbraw/zinc/45/80/02/573458002.db2.gz NCCAEIJULLHXGW-SECBINFHSA-N 0 0 197.669 1.897 10 0 ADAERN O=C1CC(=O)N(C2CCCCCC2)C1 86475497 573458023 /nfs/dbraw/zinc/45/80/23/573458023.db2.gz XVUJZMUXNPNARX-UHFFFAOYSA-N 0 0 195.262 1.511 10 0 ADAERN CC(C)[C@@H](C)N1CCC(=O)CC1=O 86476006 573458031 /nfs/dbraw/zinc/45/80/31/573458031.db2.gz MRMMKPAGXTYSJK-MRVPVSSYSA-N 0 0 183.251 1.222 10 0 ADAERN CCCC1=C(C(=O)[O-])C[N@H+](C)CC1 257817907 573458041 /nfs/dbraw/zinc/45/80/41/573458041.db2.gz DVJUUPFVZGEQLJ-UHFFFAOYSA-N 0 0 183.251 1.503 10 0 ADAERN C[C@H](O)[C@@H]1Cc2c(O)cccc2N1 258354789 573458042 /nfs/dbraw/zinc/45/80/42/573458042.db2.gz YUYYPJWJCDZLBW-RCOVLWMOSA-N 0 0 179.219 1.110 10 0 ADAERN COC(=O)[C@@H]1[NH2+][C@H](C)[C@@H]2CCCC[C@H]12 107266293 573458057 /nfs/dbraw/zinc/45/80/57/573458057.db2.gz JZVPBGPESCIAGI-XFWSIPNHSA-N 0 0 197.278 1.326 10 0 ADAERN COCC[C@H](C)[C@H](C)C(C)=O 162441855 573458109 /nfs/dbraw/zinc/45/81/09/573458109.db2.gz QIVHJQFULBYECU-YUMQZZPRSA-N 0 0 158.241 1.884 10 0 ADAERN COC(=O)Cc1cc2ncccc2[nH]1 238402398 573458119 /nfs/dbraw/zinc/45/81/19/573458119.db2.gz SDPIWQZTDGVBFU-UHFFFAOYSA-N 0 0 190.202 1.278 10 0 ADAERN O=C1CC(=O)N(Cc2cccs2)C1 86475500 573458133 /nfs/dbraw/zinc/45/81/33/573458133.db2.gz DSACCKLGFARFAI-UHFFFAOYSA-N 0 0 195.243 1.050 10 0 ADAERN C[C@H](O)c1ncnc(Cl)c1Cl 107262114 573458136 /nfs/dbraw/zinc/45/81/36/573458136.db2.gz CVHZFUADPTWUGY-VKHMYHEASA-N 0 0 193.033 1.837 10 0 ADAERN C[C@@H]1C[C@@H](O)c2cccc(O)c2N1 257817780 573458145 /nfs/dbraw/zinc/45/81/45/573458145.db2.gz DTMIGHCIYUNGOJ-HZGVNTEJSA-N 0 0 179.219 1.630 10 0 ADAERN CO[C@H]1CCC(=O)[C@@H]1C 107264698 573459125 /nfs/dbraw/zinc/45/91/25/573459125.db2.gz BBUYISZMAZWASE-FSPLSTOPSA-N 0 0 128.171 1.000 10 0 ADAERN NN[C@@H](C1=CCCCC1)c1ncc[nH]1 236239789 573458953 /nfs/dbraw/zinc/45/89/53/573458953.db2.gz JRVIMSIIWTURLR-VIFPVBQESA-N 0 0 192.266 1.415 10 0 ADAERN FC[C@H]1Cc2ccccc2N1 107262387 573458967 /nfs/dbraw/zinc/45/89/67/573458967.db2.gz MOMJQSPVECOHNC-MRVPVSSYSA-N 0 0 151.184 1.993 10 0 ADAERN C[C@@H](O)Cn1nccc1C(C)(C)C 238403622 573458970 /nfs/dbraw/zinc/45/89/70/573458970.db2.gz MMNHDQVNADVBMN-MRVPVSSYSA-N 0 0 182.267 1.561 10 0 ADAERN Cn1ccnc1CC(=O)C1CCCC1 86486050 573458985 /nfs/dbraw/zinc/45/89/85/573458985.db2.gz BLGZOYVHQMSBBE-UHFFFAOYSA-N 0 0 192.262 1.722 10 0 ADAERN O=C1C[C@H](c2ccccc2)[C@H](CF)N1 107264107 573458990 /nfs/dbraw/zinc/45/89/90/573458990.db2.gz DISSOFZWCGBLSU-ZJUUUORDSA-N 0 0 193.221 1.628 10 0 ADAERN CO[C@@H](CO)Cc1cccc(C)c1 257817929 573458997 /nfs/dbraw/zinc/45/89/97/573458997.db2.gz DVSATILOZLXNSM-LLVKDONJSA-N 0 0 180.247 1.545 10 0 ADAERN CC(=O)c1nncc(C(F)(F)F)n1 257814171 573459004 /nfs/dbraw/zinc/45/90/04/573459004.db2.gz CJELTPSURQGOKA-UHFFFAOYSA-N 0 0 191.112 1.093 10 0 ADAERN CSc1c(F)ccc2[nH]c(=O)oc12 238401914 573459028 /nfs/dbraw/zinc/45/90/28/573459028.db2.gz BOXHIMDBDJCMEJ-UHFFFAOYSA-N 0 0 199.206 1.982 10 0 ADAERN COc1ccccc1/C=C\NC(C)=O 211965807 573459029 /nfs/dbraw/zinc/45/90/29/573459029.db2.gz WEXHCHYQQNOYBX-FPLPWBNLSA-N 0 0 191.230 1.802 10 0 ADAERN O=C1CCN([C@H]2CC=CCC2)C(=O)C1 86476325 573459033 /nfs/dbraw/zinc/45/90/33/573459033.db2.gz QMHHGDLCZXJALL-VIFPVBQESA-N 0 0 193.246 1.287 10 0 ADAERN [NH3+][C@@H]1Cc2ccccc2[C@@H]1F 107266098 573459046 /nfs/dbraw/zinc/45/90/46/573459046.db2.gz HERCDUGUQUZBFE-BDAKNGLRSA-N 0 0 151.184 1.581 10 0 ADAERN COc1c(C)cc(F)cc1CNO 258033722 573459050 /nfs/dbraw/zinc/45/90/50/573459050.db2.gz JHCBTFYEPGAEIF-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN CC(C)[C@@H]1CCCNC(=O)C1 142627423 573459052 /nfs/dbraw/zinc/45/90/52/573459052.db2.gz CMLIOZVGATVIFL-MRVPVSSYSA-N 0 0 155.241 1.559 10 0 ADAERN CC[C@@H](C)CN1CCC(=O)CC1=O 86476178 573459061 /nfs/dbraw/zinc/45/90/61/573459061.db2.gz ILROTDGHAMEUEM-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN O=C1C[C@@H](c2ccccc2)[C@H](CF)N1 107264102 573459068 /nfs/dbraw/zinc/45/90/68/573459068.db2.gz DISSOFZWCGBLSU-UWVGGRQHSA-N 0 0 193.221 1.628 10 0 ADAERN C[C@H](O)c1coc(-c2ccccn2)n1 258031718 573459074 /nfs/dbraw/zinc/45/90/74/573459074.db2.gz KAJPZAFXENIGHL-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN Cc1nc2ccc(O)cn2c1C=O 257814008 573459124 /nfs/dbraw/zinc/45/91/24/573459124.db2.gz CHYOAYKQQILUNG-UHFFFAOYSA-N 0 0 176.175 1.161 10 0 ADAERN CCc1cc(CCON)cc(OC)c1 258033443 573459110 /nfs/dbraw/zinc/45/91/10/573459110.db2.gz JDXQVNBSSFKFRU-UHFFFAOYSA-N 0 0 195.262 1.690 10 0 ADAERN C/C=C(/[C@H](O)C(C)(C)C)n1cncn1 142656828 573459136 /nfs/dbraw/zinc/45/91/36/573459136.db2.gz AJYYXEIDNQNPNE-RDOCRHDPSA-N 0 0 195.266 1.546 10 0 ADAERN CCCC[C@H](NN)[C@H]1CC[C@H](C)O1 130169827 573459147 /nfs/dbraw/zinc/45/91/47/573459147.db2.gz XDUMUBVJDHUCEE-LPEHRKFASA-N 0 0 186.299 1.576 10 0 ADAERN C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-] 107266251 573459167 /nfs/dbraw/zinc/45/91/67/573459167.db2.gz STHTUUXMNUEFEM-XHNCKOQMSA-N 0 0 183.251 1.191 10 0 ADAERN COc1ccc2c(c1)C(=O)[C@H](CO)C2 238401801 573459172 /nfs/dbraw/zinc/45/91/72/573459172.db2.gz PWYHSUNQPAVFNL-QMMMGPOBSA-N 0 0 192.214 1.043 10 0 ADAERN Cn1nnc(N)c1C1CCCCC1 257817914 573459173 /nfs/dbraw/zinc/45/91/73/573459173.db2.gz DVOCHGGUOWUIHG-UHFFFAOYSA-N 0 0 180.255 1.445 10 0 ADAERN CCC(CC)n1nc(N)nc1C 86475324 573459177 /nfs/dbraw/zinc/45/91/77/573459177.db2.gz BNRZMGVPPWBATN-UHFFFAOYSA-N 0 0 168.244 1.530 10 0 ADAERN COc1c(C)cc(CNO)cc1F 258033685 573459178 /nfs/dbraw/zinc/45/91/78/573459178.db2.gz JGBSZBFNIIWKMZ-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN CC[C@H](C(C)C)N1CCC(=O)CC1=O 86476085 573459190 /nfs/dbraw/zinc/45/91/90/573459190.db2.gz DWRVTQDLSYNILI-SNVBAGLBSA-N 0 0 197.278 1.613 10 0 ADAERN CO[C@H]1COc2cccc(F)c2C1=O 238401859 573459191 /nfs/dbraw/zinc/45/91/91/573459191.db2.gz RJIUFDXMDSDVOW-QMMMGPOBSA-N 0 0 196.177 1.416 10 0 ADAERN OC[C@H](F)CC1CCSCC1 257817889 573459216 /nfs/dbraw/zinc/45/92/16/573459216.db2.gz DUWOZDBVWHNCTD-MRVPVSSYSA-N 0 0 178.272 1.850 10 0 ADAERN Cc1cccc(-n2nc(C)cc2N)n1 142578276 573459220 /nfs/dbraw/zinc/45/92/20/573459220.db2.gz NJBGSDBVOVFXDM-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN O=C1CCN(CC2CCCC2)C(=O)C1 86476018 573459226 /nfs/dbraw/zinc/45/92/26/573459226.db2.gz GLGQECLRKAEIGE-UHFFFAOYSA-N 0 0 195.262 1.368 10 0 ADAERN C[C@@H]1C=CC[C@H]2C(=O)N[C@]12C 238402364 573459233 /nfs/dbraw/zinc/45/92/33/573459233.db2.gz YDTAJQOAVAJSCF-BKPPORCPSA-N 0 0 151.209 1.087 10 0 ADAERN Clc1ccc([C@H]2CCNN2)cc1 257813971 573459246 /nfs/dbraw/zinc/45/92/46/573459246.db2.gz CGJDQKRHINMBCE-SECBINFHSA-N 0 0 182.654 1.879 10 0 ADAERN O=C1CC(=O)N(c2ccccc2F)C1 86475434 573459307 /nfs/dbraw/zinc/45/93/07/573459307.db2.gz UKZDJGWCZCBDCJ-UHFFFAOYSA-N 0 0 193.177 1.132 10 0 ADAERN CC(C)Cc1ccnnc1N 258497746 573459280 /nfs/dbraw/zinc/45/92/80/573459280.db2.gz CZDLMOCFPQFJLB-UHFFFAOYSA-N 0 0 151.213 1.257 10 0 ADAERN C[NH2+][C@@H](C1CCCC1)[C@H](C)CC(=O)[O-] 259459378 573459286 /nfs/dbraw/zinc/45/92/86/573459286.db2.gz PLJCGVBVYFQGJX-LDYMZIIASA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cc(CF)n[nH]1 107265166 573459290 /nfs/dbraw/zinc/45/92/90/573459290.db2.gz HDFFOGLTLLDINK-UHFFFAOYSA-N 0 0 114.123 1.188 10 0 ADAERN C[C@]12C[C@H]1CC[C@@H]2O 142672538 573459621 /nfs/dbraw/zinc/45/96/21/573459621.db2.gz WPCMIUBNZIKKBL-VQVTYTSYSA-N 0 0 112.172 1.167 10 0 ADAERN COC(=O)Cc1cc2cccnc2[nH]1 238402377 573459624 /nfs/dbraw/zinc/45/96/24/573459624.db2.gz GLEOYFTXJBAHAW-UHFFFAOYSA-N 0 0 190.202 1.278 10 0 ADAERN c1nscc1O[C@H]1CCCO1 258373273 573459553 /nfs/dbraw/zinc/45/95/53/573459553.db2.gz GWUZWRFHIUXOIH-ZETCQYMHSA-N 0 0 171.221 1.658 10 0 ADAERN CO[C@H]1C[C@H]2CCC[C@@H]2CC1=O 238403609 573459564 /nfs/dbraw/zinc/45/95/64/573459564.db2.gz HYWNGLWVZYRUAO-MRTMQBJTSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H](O)Cc1c[nH]c2cccc(O)c12 258031959 573459569 /nfs/dbraw/zinc/45/95/69/573459569.db2.gz DQXVEHSCMNYLCT-SSDOTTSWSA-N 0 0 191.230 1.797 10 0 ADAERN O=C1N[C@H](CF)[C@H](c2ccccc2)O1 107264765 573459584 /nfs/dbraw/zinc/45/95/84/573459584.db2.gz BJSOPAQLWKOCSL-BDAKNGLRSA-N 0 0 195.193 1.806 10 0 ADAERN OC[C@@H](F)CC1CCSCC1 257817892 573459597 /nfs/dbraw/zinc/45/95/97/573459597.db2.gz DUWOZDBVWHNCTD-QMMMGPOBSA-N 0 0 178.272 1.850 10 0 ADAERN OCCc1nc([C@H]2CCCOC2)co1 258033133 573460468 /nfs/dbraw/zinc/46/04/68/573460468.db2.gz IRZQZOUOWXRSOV-QMMMGPOBSA-N 0 0 197.234 1.103 10 0 ADAERN C[C@@]1(c2cccnc2)CNC(=O)O1 258383380 573460469 /nfs/dbraw/zinc/46/04/69/573460469.db2.gz MUXQRBWCXILSCW-VIFPVBQESA-N 0 0 178.191 1.037 10 0 ADAERN CCCC[C@@H](NN)[C@@H]1CCSC1 130183356 573462329 /nfs/dbraw/zinc/46/23/29/573462329.db2.gz AGECSMLFAAUMJY-RKDXNWHRSA-N 0 0 188.340 1.762 10 0 ADAERN FC(F)C1=NO[C@H]2CSC[C@H]12 107268017 573462330 /nfs/dbraw/zinc/46/23/30/573462330.db2.gz SGWXUKMESKLJCA-IMJSIDKUSA-N 0 0 179.191 1.369 10 0 ADAERN COC(=O)C[C@@H](CO)CC(C)C 257814538 573460476 /nfs/dbraw/zinc/46/04/76/573460476.db2.gz CLBXUSQHPMQTER-QMMMGPOBSA-N 0 0 174.240 1.204 10 0 ADAERN COc1ccc(O)cc1C(C)(C)O 258033601 573460477 /nfs/dbraw/zinc/46/04/77/573460477.db2.gz JFDYUJDWIBDWTC-UHFFFAOYSA-N 0 0 182.219 1.628 10 0 ADAERN NOCc1ccc2cnccc2c1 258032805 573460482 /nfs/dbraw/zinc/46/04/82/573460482.db2.gz PFYALKJIWVJWCZ-UHFFFAOYSA-N 0 0 174.203 1.625 10 0 ADAERN CC[C@H](C)n1nnc(N)c1C(C)C 86492443 573460492 /nfs/dbraw/zinc/46/04/92/573460492.db2.gz YGCBBFCJLDXNGP-ZETCQYMHSA-N 0 0 182.271 1.955 10 0 ADAERN COc1c(C)ccc(CCO)c1O 258033369 573460495 /nfs/dbraw/zinc/46/04/95/573460495.db2.gz JDPRYVBESCUKSC-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN Oc1ccc(CC2(O)CC2)c(F)c1 258033315 573461731 /nfs/dbraw/zinc/46/17/31/573461731.db2.gz JDBXAMUSXZIMRI-UHFFFAOYSA-N 0 0 182.194 1.599 10 0 ADAERN C[C@@]1(O)CNc2cc(F)ccc2C1 257815440 573463187 /nfs/dbraw/zinc/46/31/87/573463187.db2.gz CUEIKUAVGOODRU-JTQLQIEISA-N 0 0 181.210 1.545 10 0 ADAERN CC(C)(C)[C@@](C[NH3+])(CF)C(=O)[O-] 257814965 573462339 /nfs/dbraw/zinc/46/23/39/573462339.db2.gz CQABGKIMWFOXHD-MRVPVSSYSA-N 0 0 177.219 1.032 10 0 ADAERN C[C@@H](O)Oc1cncc(Cl)c1 238405205 573462341 /nfs/dbraw/zinc/46/23/41/573462341.db2.gz WWADCJOVRPSGED-YFKPBYRVSA-N 0 0 173.599 1.452 10 0 ADAERN CC(=O)[C@H](F)c1ccncc1 107270600 573461738 /nfs/dbraw/zinc/46/17/38/573461738.db2.gz LGMLANXSCUROKO-QMMMGPOBSA-N 0 0 153.156 1.681 10 0 ADAERN c1coc(-c2nc3n(n2)CCCC3)c1 258368403 573461482 /nfs/dbraw/zinc/46/14/82/573461482.db2.gz MDIZFIQQPDZKHZ-UHFFFAOYSA-N 0 0 189.218 1.874 10 0 ADAERN N[C@H](F)c1ccncc1 107270595 573461512 /nfs/dbraw/zinc/46/15/12/573461512.db2.gz SZHNXDGELSHFEU-LURJTMIESA-N 0 0 126.134 1.008 10 0 ADAERN C[C@](N)(F)C1CCCC1 107271579 573461538 /nfs/dbraw/zinc/46/15/38/573461538.db2.gz IKDNAKSHAHYOHK-SSDOTTSWSA-N 0 0 131.194 1.821 10 0 ADAERN C[C@@H]1CN[C@@]2(N1)Sc1ccccc12 238405274 573461541 /nfs/dbraw/zinc/46/15/41/573461541.db2.gz PSQSHJSHRBQKGP-XCBNKYQSSA-N 0 0 192.287 1.484 10 0 ADAERN CC(C)(C)n1nc(N)c2c1CCC2 257814552 573461543 /nfs/dbraw/zinc/46/15/43/573461543.db2.gz CLRQLDQLKZBCIU-UHFFFAOYSA-N 0 0 179.267 1.709 10 0 ADAERN CC(C)c1nc2n(n1)CC[C@H](C)C2 258374099 573461544 /nfs/dbraw/zinc/46/15/44/573461544.db2.gz MKIUZMRIWYXNAJ-QMMMGPOBSA-N 0 0 179.267 1.984 10 0 ADAERN NOCCc1cc(CF)ccc1O 258033135 573461545 /nfs/dbraw/zinc/46/15/45/573461545.db2.gz JAYRRVZCHASZMN-UHFFFAOYSA-N 0 0 185.198 1.295 10 0 ADAERN CC(C)n1nnc(C2CC2)c1C[NH3+] 257814941 573461549 /nfs/dbraw/zinc/46/15/49/573461549.db2.gz COYUXFJCRVXHKD-UHFFFAOYSA-N 0 0 180.255 1.195 10 0 ADAERN CCc1c(N)nnn1CC1CCCC1 86492229 573461551 /nfs/dbraw/zinc/46/15/51/573461551.db2.gz YYMRRKHVANESJT-UHFFFAOYSA-N 0 0 194.282 1.613 10 0 ADAERN CC(C)(C)ONC(=O)NC1CCC1 124420798 573461554 /nfs/dbraw/zinc/46/15/54/573461554.db2.gz JZSXKTRSPQXORS-UHFFFAOYSA-N 0 0 186.255 1.568 10 0 ADAERN CC1(C)CC(=O)[C@@H]2CC(=O)C[C@H]2C1 258033099 573461561 /nfs/dbraw/zinc/46/15/61/573461561.db2.gz PJISZXBQAWSYEW-IONNQARKSA-N 0 0 180.247 1.971 10 0 ADAERN COC(=O)c1ccc2c(c1)COCC2 238403926 573461566 /nfs/dbraw/zinc/46/15/66/573461566.db2.gz VUZQDEVSONIYJS-UHFFFAOYSA-N 0 0 192.214 1.546 10 0 ADAERN C[C@](O)(CON)C1CCCCCC1 257815364 573461587 /nfs/dbraw/zinc/46/15/87/573461587.db2.gz CTCRMHHXJZUCNX-JTQLQIEISA-N 0 0 187.283 1.598 10 0 ADAERN CC(=O)CNC(=O)Nc1ccc(C)o1 258366593 573461591 /nfs/dbraw/zinc/46/15/91/573461591.db2.gz GPZZWOJGDRQMSV-UHFFFAOYSA-N 0 0 196.206 1.299 10 0 ADAERN C[C@@H](O)/C=C1\CCOC1(C)C 392904126 573461635 /nfs/dbraw/zinc/46/16/35/573461635.db2.gz RXIJZDXCDDVBJN-UQBZRGDZSA-N 0 0 156.225 1.493 10 0 ADAERN Nc1cc2c(cc1Cl)COC2=O 142519207 573461669 /nfs/dbraw/zinc/46/16/69/573461669.db2.gz QMDYCOVAUMHWRO-UHFFFAOYSA-N 0 0 183.594 1.593 10 0 ADAERN C[C@@H]1CN[C@H](C(F)(F)F)[C@@H](CO)C1 238405505 573461672 /nfs/dbraw/zinc/46/16/72/573461672.db2.gz KXBYPQHWGFFVFZ-XVMARJQXSA-N 0 0 197.200 1.155 10 0 ADAERN COCCCCC(=O)c1cncn1C 308592204 573461677 /nfs/dbraw/zinc/46/16/77/573461677.db2.gz PMQFXCALNWTFST-UHFFFAOYSA-N 0 0 196.250 1.420 10 0 ADAERN CC(F)(F)c1nc(C=O)co1 107269142 573461688 /nfs/dbraw/zinc/46/16/88/573461688.db2.gz FQLSAEYFHMVLNM-UHFFFAOYSA-N 0 0 161.107 1.599 10 0 ADAERN COC(=O)Cn1cc2ccsc2c1 238405438 573461695 /nfs/dbraw/zinc/46/16/95/573461695.db2.gz BLHAYEIRKTWXSR-UHFFFAOYSA-N 0 0 195.243 1.876 10 0 ADAERN COC(=O)c1ccc2c(c1)N[C@@H](C)C2 238404835 573461703 /nfs/dbraw/zinc/46/17/03/573461703.db2.gz NZQVXROUUHSEBQ-ZETCQYMHSA-N 0 0 191.230 1.830 10 0 ADAERN CC(=O)c1ncc2cccc(F)c2n1 257815105 573461709 /nfs/dbraw/zinc/46/17/09/573461709.db2.gz CUBIIDKGJHVAIO-UHFFFAOYSA-N 0 0 190.177 1.972 10 0 ADAERN C[NH2+][C@H](C1CCCC1)[C@@H](C)CC(=O)[O-] 259459376 573461717 /nfs/dbraw/zinc/46/17/17/573461717.db2.gz PLJCGVBVYFQGJX-KWQFWETISA-N 0 0 199.294 1.875 10 0 ADAERN N[C@H](F)c1cccnc1 107270560 573461721 /nfs/dbraw/zinc/46/17/21/573461721.db2.gz YONVJUYAZNRERH-LURJTMIESA-N 0 0 126.134 1.008 10 0 ADAERN CC(C)c1cn2c(n1)CC[C@@H](CO)C2 258383427 573462947 /nfs/dbraw/zinc/46/29/47/573462947.db2.gz MVNZSJYEELCNEU-SECBINFHSA-N 0 0 194.278 1.561 10 0 ADAERN CCCC[C@H](COC(C)(C)C)NN 130185077 573461755 /nfs/dbraw/zinc/46/17/55/573461755.db2.gz HCUPDENYIHBMRL-SECBINFHSA-N 0 0 188.315 1.824 10 0 ADAERN CCn1nnc(N)c1C(C)(C)C 86492744 573461765 /nfs/dbraw/zinc/46/17/65/573461765.db2.gz PSUUUFHBDRRKJN-UHFFFAOYSA-N 0 0 168.244 1.178 10 0 ADAERN CCc1c(N)nnn1C1CCCC1 86492056 573461772 /nfs/dbraw/zinc/46/17/72/573461772.db2.gz NHGSYBGTPLAMQC-UHFFFAOYSA-N 0 0 180.255 1.538 10 0 ADAERN C[C@@H]1Cc2cc(O)ccc2OC1=O 238405499 573461783 /nfs/dbraw/zinc/46/17/83/573461783.db2.gz WFKDEURDYFOPHC-ZCFIWIBFSA-N 0 0 178.187 1.490 10 0 ADAERN C[NH2+][C@H](C1CCCC1)[C@H](C)CC(=O)[O-] 259459374 573461791 /nfs/dbraw/zinc/46/17/91/573461791.db2.gz PLJCGVBVYFQGJX-KCJUWKMLSA-N 0 0 199.294 1.875 10 0 ADAERN CCCC(=O)CCc1cnn(C)c1 50540464 573461796 /nfs/dbraw/zinc/46/17/96/573461796.db2.gz OVIZFARWJPVNGF-UHFFFAOYSA-N 0 0 180.251 1.722 10 0 ADAERN Cn1c(N)nc2c(Cl)nccc21 257815339 573461804 /nfs/dbraw/zinc/46/18/04/573461804.db2.gz CSKOLNSLESLGOV-UHFFFAOYSA-N 0 0 182.614 1.204 10 0 ADAERN CC(C)n1[n-]c2c(c1=O)C[C@H](C)[NH2+]C2 258033119 573461821 /nfs/dbraw/zinc/46/18/21/573461821.db2.gz IRYLXDHJWFTZMF-ZETCQYMHSA-N 0 0 195.266 1.204 10 0 ADAERN O=C1NCC[C@@H](C2CCCC2)O1 258498630 573461822 /nfs/dbraw/zinc/46/18/22/573461822.db2.gz KSTDMNSPPAXJQC-QMMMGPOBSA-N 0 0 169.224 1.675 10 0 ADAERN CSC(=O)[C@H](C(C)=O)C(C)C 238404786 573461828 /nfs/dbraw/zinc/46/18/28/573461828.db2.gz RLIHIPYXARSGNN-ZETCQYMHSA-N 0 0 174.265 1.737 10 0 ADAERN CCc1c(N)nnn1C1CCCCC1 86492082 573461842 /nfs/dbraw/zinc/46/18/42/573461842.db2.gz POFHATQNPLRZQH-UHFFFAOYSA-N 0 0 194.282 1.928 10 0 ADAERN C[C@@H]1OC(=O)[C@@H](O)[C@@H]1c1ccccc1 238404446 573461843 /nfs/dbraw/zinc/46/18/43/573461843.db2.gz CSRRMMKZVSSXBC-HGNGGELXSA-N 0 0 192.214 1.076 10 0 ADAERN CC(=O)C(F)(F)c1cccnc1 107270568 573461847 /nfs/dbraw/zinc/46/18/47/573461847.db2.gz BHGXWMPUUBWWCO-UHFFFAOYSA-N 0 0 171.146 1.762 10 0 ADAERN Cc1ccc(C[C@H](C)C(N)=O)c(C)c1 238404680 573461850 /nfs/dbraw/zinc/46/18/50/573461850.db2.gz MTONVXRNIVABNH-JTQLQIEISA-N 0 0 191.274 1.967 10 0 ADAERN OCCc1cnc(Cc2ccco2)o1 258034205 573461851 /nfs/dbraw/zinc/46/18/51/573461851.db2.gz KBKQXRWURWMVFU-UHFFFAOYSA-N 0 0 193.202 1.393 10 0 ADAERN Cc1ccncc1[C@H](N)C(F)(F)F 86498416 573461858 /nfs/dbraw/zinc/46/18/58/573461858.db2.gz UOPYSDQDQRHCBU-ZETCQYMHSA-N 0 0 190.168 1.952 10 0 ADAERN NN[C@H](CC1CC1)[C@@H]1CCCS1 130080578 573461866 /nfs/dbraw/zinc/46/18/66/573461866.db2.gz TYYOCKWKINVSON-BDAKNGLRSA-N 0 0 186.324 1.514 10 0 ADAERN CC(=O)c1nn(C)c2c1[C@H](F)CCC2 257815160 573461871 /nfs/dbraw/zinc/46/18/71/573461871.db2.gz CVYCSJVFVFDVRV-SSDOTTSWSA-N 0 0 196.225 1.970 10 0 ADAERN O=c1oc2cc(CNO)ccc2s1 258033308 573461872 /nfs/dbraw/zinc/46/18/72/573461872.db2.gz JDBTYINDMMLJRX-UHFFFAOYSA-N 0 0 197.215 1.333 10 0 ADAERN Cc1cc(O)c(F)c(C2(O)CC2)c1 258036031 573464395 /nfs/dbraw/zinc/46/43/95/573464395.db2.gz JIYRDCRCSGQCHB-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN Cc1nn(-c2ccccc2F)cc1N 124424778 573461885 /nfs/dbraw/zinc/46/18/85/573461885.db2.gz GHQMSWTZPZVKOW-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN C[C@@H]1Cc2ccc(CCO)cc2C1 238406210 573461910 /nfs/dbraw/zinc/46/19/10/573461910.db2.gz SMXNPVVDKLZDHL-SECBINFHSA-N 0 0 176.259 1.956 10 0 ADAERN CC(=O)[C@@H]1Cc2c(O)cccc2N1C 258032166 573461912 /nfs/dbraw/zinc/46/19/12/573461912.db2.gz DUGKCYWQZVAOSL-JTQLQIEISA-N 0 0 191.230 1.342 10 0 ADAERN C[C@@H]1CN[C@@](C)(c2ccco2)OC1 258372546 573461917 /nfs/dbraw/zinc/46/19/17/573461917.db2.gz GVKGJHCWAJSFAA-PSASIEDQSA-N 0 0 181.235 1.708 10 0 ADAERN Cc1c(N)nnn1CCC(F)(F)F 86491820 573461923 /nfs/dbraw/zinc/46/19/23/573461923.db2.gz GISQIHPLQNWLIR-UHFFFAOYSA-N 0 0 194.160 1.121 10 0 ADAERN CC(=O)C(F)(F)c1ccncc1 107270579 573461936 /nfs/dbraw/zinc/46/19/36/573461936.db2.gz HEVWGVGPGGLWHW-UHFFFAOYSA-N 0 0 171.146 1.762 10 0 ADAERN COc1c(F)c(N)nc(F)c1F 238404029 573461940 /nfs/dbraw/zinc/46/19/40/573461940.db2.gz LNTFXYYDGOWBJZ-UHFFFAOYSA-N 0 0 178.113 1.090 10 0 ADAERN CCC[C@H](C)NN1CCOCC1 214513219 573461944 /nfs/dbraw/zinc/46/19/44/573461944.db2.gz QAWPMNYYOBNMSU-VIFPVBQESA-N 0 0 172.272 1.012 10 0 ADAERN NC(=O)C(F)(F)C1CCSCC1 258033362 573461947 /nfs/dbraw/zinc/46/19/47/573461947.db2.gz ITGFAQAPNGXDEJ-UHFFFAOYSA-N 0 0 195.234 1.250 10 0 ADAERN Cc1coc([C@@H]2CSCCN2)n1 257815337 573461955 /nfs/dbraw/zinc/46/19/55/573461955.db2.gz CSJYWUCWKKPIGI-ZETCQYMHSA-N 0 0 184.264 1.361 10 0 ADAERN O=C(NC1CC1)c1ccc(F)c(O)c1 142521150 573461970 /nfs/dbraw/zinc/46/19/70/573461970.db2.gz IZRXWRFJFIVWSF-UHFFFAOYSA-N 0 0 195.193 1.424 10 0 ADAERN OCCc1cc(CF)cc(F)c1F 258033220 573461991 /nfs/dbraw/zinc/46/19/91/573461991.db2.gz JCHLTYGBTREFCV-UHFFFAOYSA-N 0 0 190.164 1.969 10 0 ADAERN O=Cc1noc2c1C(F)(F)CC2 257814557 573461995 /nfs/dbraw/zinc/46/19/95/573461995.db2.gz CLXFSJZJCJJANU-UHFFFAOYSA-N 0 0 173.118 1.525 10 0 ADAERN O=CN1CCC[C@@H]1[C@H]1CCCCC1=O 86498246 573461998 /nfs/dbraw/zinc/46/19/98/573461998.db2.gz IRMVCCXGDXIEON-NXEZZACHSA-N 0 0 195.262 1.367 10 0 ADAERN COc1cc(C)cc(C=O)c1F 211783760 573462001 /nfs/dbraw/zinc/46/20/01/573462001.db2.gz QEUQXDPBZFYGQN-UHFFFAOYSA-N 0 0 168.167 1.955 10 0 ADAERN C[C@H](O)Cc1c[nH]c2cccc(O)c12 258031963 573462013 /nfs/dbraw/zinc/46/20/13/573462013.db2.gz DQXVEHSCMNYLCT-ZETCQYMHSA-N 0 0 191.230 1.797 10 0 ADAERN CONCc1cc(C)cc(F)c1 258032914 573462022 /nfs/dbraw/zinc/46/20/22/573462022.db2.gz PHGUHPSDMSCYJB-UHFFFAOYSA-N 0 0 169.199 1.785 10 0 ADAERN COc1ncc(C(F)F)c(F)c1N 238404449 573462038 /nfs/dbraw/zinc/46/20/38/573462038.db2.gz HGCVYRQCPDRROA-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN COc1ccccc1C(N)(F)F 107270452 573462040 /nfs/dbraw/zinc/46/20/40/573462040.db2.gz ISGHRMWWBIVZAE-UHFFFAOYSA-N 0 0 173.162 1.703 10 0 ADAERN CSC(=O)[C@H]1CCCC[C@H]1O 238405324 573462058 /nfs/dbraw/zinc/46/20/58/573462058.db2.gz YTJOZXPACKWNKA-NKWVEPMBSA-N 0 0 174.265 1.427 10 0 ADAERN CC[C@@](C)([NH2+]Cc1ccoc1)C(=O)[O-] 130182778 573462084 /nfs/dbraw/zinc/46/20/84/573462084.db2.gz VBTAOVFPQIUMOI-SNVBAGLBSA-N 0 0 197.234 1.623 10 0 ADAERN COc1ccc([C@H](N)F)cc1 107270443 573462090 /nfs/dbraw/zinc/46/20/90/573462090.db2.gz XPNAMKLPCQHSIG-QMMMGPOBSA-N 0 0 155.172 1.622 10 0 ADAERN C[C@@](O)(CON)C1CCCCCC1 257815365 573462099 /nfs/dbraw/zinc/46/20/99/573462099.db2.gz CTCRMHHXJZUCNX-SNVBAGLBSA-N 0 0 187.283 1.598 10 0 ADAERN CCCc1nnc2n1CC[C@H](C)C2 258381709 573462100 /nfs/dbraw/zinc/46/21/00/573462100.db2.gz TXKIGTJIUKEDJY-QMMMGPOBSA-N 0 0 179.267 1.813 10 0 ADAERN C[C@@]1(CCO)Oc2ccc(F)cc2O1 258378416 573462114 /nfs/dbraw/zinc/46/21/14/573462114.db2.gz XNYTZKKQJIAJLR-SNVBAGLBSA-N 0 0 198.193 1.696 10 0 ADAERN CC[C@H](C)n1nnc(N)c1C 86491757 573462115 /nfs/dbraw/zinc/46/21/15/573462115.db2.gz VMFAJEVDUMMESE-YFKPBYRVSA-N 0 0 154.217 1.140 10 0 ADAERN CO[C@H](C)CC[C@@H](O)C1CCC1 162085694 573462133 /nfs/dbraw/zinc/46/21/33/573462133.db2.gz RBKIMEMBMXBZGD-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN COc1ccccc1[C@@H](N)F 107270446 573462147 /nfs/dbraw/zinc/46/21/47/573462147.db2.gz LYLAEBNMPUJPSV-MRVPVSSYSA-N 0 0 155.172 1.622 10 0 ADAERN COc1c(C(F)F)cnc(N)c1F 238404045 573462148 /nfs/dbraw/zinc/46/21/48/573462148.db2.gz XBGMFUKRGIFVFY-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN COC[C@@H](CO)Cc1cccs1 258373014 573462151 /nfs/dbraw/zinc/46/21/51/573462151.db2.gz SHSICXJGWUWGQO-MRVPVSSYSA-N 0 0 186.276 1.546 10 0 ADAERN CCNC(=O)NC(=O)c1ccccc1 142684483 573462182 /nfs/dbraw/zinc/46/21/82/573462182.db2.gz ATSMGFRUVWTCRJ-UHFFFAOYSA-N 0 0 192.218 1.146 10 0 ADAERN COc1cccc2cc(C)n(N)c12 238404415 573462773 /nfs/dbraw/zinc/46/27/73/573462773.db2.gz XBGVYWPKZFKVEH-UHFFFAOYSA-N 0 0 176.219 1.672 10 0 ADAERN CCc1nnc2cncc(Cl)n12 86492546 573462211 /nfs/dbraw/zinc/46/22/11/573462211.db2.gz ABRDHKGOZVLFFA-UHFFFAOYSA-N 0 0 182.614 1.340 10 0 ADAERN CCn1c(=O)c2cc(O)ccc2n1C 257814759 573462775 /nfs/dbraw/zinc/46/27/75/573462775.db2.gz CRJBAMINRBNKOE-UHFFFAOYSA-N 0 0 192.218 1.066 10 0 ADAERN Cn1nnc(C2CCCCCC2)c1N 257814721 573462238 /nfs/dbraw/zinc/46/22/38/573462238.db2.gz CPABHVBMTHYOBV-UHFFFAOYSA-N 0 0 194.282 1.835 10 0 ADAERN CCn1cc(C[C@@H](O)C(C)(C)C)cn1 50542102 573462239 /nfs/dbraw/zinc/46/22/39/573462239.db2.gz WPRNLBZLYPIUHH-SNVBAGLBSA-N 0 0 196.294 1.853 10 0 ADAERN Cc1c(N)nnn1Cc1cccs1 86491998 573462245 /nfs/dbraw/zinc/46/22/45/573462245.db2.gz OAIAVTNOJNTXCO-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN COc1ccccc1[C@H](N)F 107270449 573462265 /nfs/dbraw/zinc/46/22/65/573462265.db2.gz LYLAEBNMPUJPSV-QMMMGPOBSA-N 0 0 155.172 1.622 10 0 ADAERN CCn1c(=NN)[nH]c2c(O)cccc21 258376729 573462283 /nfs/dbraw/zinc/46/22/83/573462283.db2.gz XNCKZLZUPNGDEO-UHFFFAOYSA-N 0 0 192.222 1.047 10 0 ADAERN CCC(=O)CCc1cnn(CC)c1 50540469 573462284 /nfs/dbraw/zinc/46/22/84/573462284.db2.gz PLJXLLNZQYOAAS-UHFFFAOYSA-N 0 0 180.251 1.815 10 0 ADAERN COc1ccc([C@@H](N)F)cc1 107270440 573462296 /nfs/dbraw/zinc/46/22/96/573462296.db2.gz XPNAMKLPCQHSIG-MRVPVSSYSA-N 0 0 155.172 1.622 10 0 ADAERN CCCC(F)(F)CON 259459677 573462368 /nfs/dbraw/zinc/46/23/68/573462368.db2.gz VZZYVCFODVIRHK-UHFFFAOYSA-N 0 0 139.145 1.312 10 0 ADAERN CCOC(=O)N1CCC[C@@H]1CC(C)=O 86496946 573462400 /nfs/dbraw/zinc/46/24/00/573462400.db2.gz RPRGNMWGBNGBSU-SECBINFHSA-N 0 0 199.250 1.586 10 0 ADAERN CCSCc1coc(N)n1 258031993 573462416 /nfs/dbraw/zinc/46/24/16/573462416.db2.gz DRLODFZUQFKUTG-UHFFFAOYSA-N 0 0 158.226 1.510 10 0 ADAERN CCC(=O)CCc1cnn(C)c1 50540468 573462417 /nfs/dbraw/zinc/46/24/17/573462417.db2.gz SALUORHAPOOWJC-UHFFFAOYSA-N 0 0 166.224 1.332 10 0 ADAERN CO[C@@](C)(CO)Cc1ccc(F)cc1 257815196 573462420 /nfs/dbraw/zinc/46/24/20/573462420.db2.gz BMGQXQSSKAKEPQ-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN CSC(=O)Nc1cccnc1 238404463 573462445 /nfs/dbraw/zinc/46/24/45/573462445.db2.gz GZPRQQFJQOMIJV-UHFFFAOYSA-N 0 0 168.221 1.977 10 0 ADAERN CC[C@H](Cc1cnn(C)c1)C(C)=O 50540477 573462451 /nfs/dbraw/zinc/46/24/51/573462451.db2.gz VTLHVSBEHBAWAS-SNVBAGLBSA-N 0 0 180.251 1.578 10 0 ADAERN CCCn1nnc(N)c1C(C)(C)C 86492833 573462471 /nfs/dbraw/zinc/46/24/71/573462471.db2.gz ZBIYLEWXMQJLOT-UHFFFAOYSA-N 0 0 182.271 1.568 10 0 ADAERN N[C@@H](F)c1ccccn1 107270531 573462488 /nfs/dbraw/zinc/46/24/88/573462488.db2.gz SVULGFKJQVBXGN-ZCFIWIBFSA-N 0 0 126.134 1.008 10 0 ADAERN CCCC[C@@H](NN)[C@H]1CCSC1 130183777 573462489 /nfs/dbraw/zinc/46/24/89/573462489.db2.gz AGECSMLFAAUMJY-DTWKUNHWSA-N 0 0 188.340 1.762 10 0 ADAERN Cc1ccc2c(c1)N[C@](C)(CO)C2 258368275 573462510 /nfs/dbraw/zinc/46/25/10/573462510.db2.gz ZVANHGAYOYMINM-NSHDSACASA-N 0 0 177.247 1.714 10 0 ADAERN COc1ccc2c(n1)C(=O)CCCN2 238405010 573462519 /nfs/dbraw/zinc/46/25/19/573462519.db2.gz MPVKJXYFHRDURN-UHFFFAOYSA-N 0 0 192.218 1.479 10 0 ADAERN CCc1cncc(CC(C)(C)O)c1 259459513 573462543 /nfs/dbraw/zinc/46/25/43/573462543.db2.gz VXLMZAVXNICVBP-UHFFFAOYSA-N 0 0 179.263 1.957 10 0 ADAERN Nc1nn(C2CCC2)c2c1CSC2 257814757 573462547 /nfs/dbraw/zinc/46/25/47/573462547.db2.gz CRCRMVYZFRAJMG-UHFFFAOYSA-N 0 0 195.291 1.937 10 0 ADAERN C/C=C(C)\C=C\CO 142690328 573462553 /nfs/dbraw/zinc/46/25/53/573462553.db2.gz WGDNYTTYAVSARF-MOXCDBQTSA-N 0 0 112.172 1.501 10 0 ADAERN CO[C@](C)(CO)Cc1ccc(F)cc1 257815198 573462561 /nfs/dbraw/zinc/46/25/61/573462561.db2.gz BMGQXQSSKAKEPQ-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN COc1cnc(C[NH3+])c(C(F)F)c1 238405149 573462584 /nfs/dbraw/zinc/46/25/84/573462584.db2.gz LAZNLNSJDJJLFG-UHFFFAOYSA-N 0 0 188.177 1.487 10 0 ADAERN CCc1c(N)nnn1CC(C)C 86492074 573462587 /nfs/dbraw/zinc/46/25/87/573462587.db2.gz PSTNQDBNQFEXQG-UHFFFAOYSA-N 0 0 168.244 1.079 10 0 ADAERN NC(F)(F)c1ccncc1 107270584 573462612 /nfs/dbraw/zinc/46/26/12/573462612.db2.gz RYYQHGYWXFQGHD-UHFFFAOYSA-N 0 0 144.124 1.090 10 0 ADAERN C[C@@H]1Cc2cc(O)ccc2C(=O)O1 238405428 573462621 /nfs/dbraw/zinc/46/26/21/573462621.db2.gz GSASJOWNCIINEK-ZCFIWIBFSA-N 0 0 178.187 1.494 10 0 ADAERN COC(=O)c1onc(C)c1C(F)F 107268042 573462631 /nfs/dbraw/zinc/46/26/31/573462631.db2.gz IWWYTNLHPPFOKP-UHFFFAOYSA-N 0 0 191.133 1.707 10 0 ADAERN CC(C)(C)c1nc(C(=O)[O-])c(C[NH3+])o1 258380286 573462634 /nfs/dbraw/zinc/46/26/34/573462634.db2.gz XRCQTCBMVVEEMX-UHFFFAOYSA-N 0 0 198.222 1.129 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](C)N1c1ccccc1 238404686 573462655 /nfs/dbraw/zinc/46/26/55/573462655.db2.gz FYOXPPPJIPVYLD-NXEZZACHSA-N 0 0 176.263 1.831 10 0 ADAERN C[C@]1(C2CCOCC2)CNC(=O)OC1 257814840 573462659 /nfs/dbraw/zinc/46/26/59/573462659.db2.gz BGYIBFIVFCJSRN-JTQLQIEISA-N 0 0 199.250 1.159 10 0 ADAERN CCCc1c(N)nnn1C1CCCC1 86492559 573462661 /nfs/dbraw/zinc/46/26/61/573462661.db2.gz XYHZCOSRIKLHPZ-UHFFFAOYSA-N 0 0 194.282 1.928 10 0 ADAERN C[C@H]1CC(=O)c2ncnc(Cl)c21 107268968 573462664 /nfs/dbraw/zinc/46/26/64/573462664.db2.gz OVENEGFVJBEMEC-BYPYZUCNSA-N 0 0 182.610 1.820 10 0 ADAERN CC(C)[C@]1(C)c2[n-][nH]c(=O)c2C[N@H+]1C 107273452 573462674 /nfs/dbraw/zinc/46/26/74/573462674.db2.gz KCJYALODDYHJSG-SNVBAGLBSA-N 0 0 195.266 1.020 10 0 ADAERN COC(=O)N(C)c1ccoc1 238406226 573462684 /nfs/dbraw/zinc/46/26/84/573462684.db2.gz AANSMYJQUJZSQO-UHFFFAOYSA-N 0 0 155.153 1.482 10 0 ADAERN CCc1c(N)nnn1CC1CCC1 86492220 573462709 /nfs/dbraw/zinc/46/27/09/573462709.db2.gz CMWXWFRWTMCVFF-UHFFFAOYSA-N 0 0 180.255 1.223 10 0 ADAERN C[C@@H]1C=C[C@H]2C(=O)C[C@H]12 238404049 573462712 /nfs/dbraw/zinc/46/27/12/573462712.db2.gz NWFCITKKOQUWCD-FSDSQADBSA-N 0 0 122.167 1.398 10 0 ADAERN CSC(=O)[C@H]1CCCC[C@@H]1O 238405311 573462735 /nfs/dbraw/zinc/46/27/35/573462735.db2.gz YTJOZXPACKWNKA-BQBZGAKWSA-N 0 0 174.265 1.427 10 0 ADAERN C[C@@H]1C=C[C@H](O)[C@@]1(C)Cl 238404755 573462785 /nfs/dbraw/zinc/46/27/85/573462785.db2.gz LTYWIUDGAGYZSY-VQVTYTSYSA-N 0 0 146.617 1.551 10 0 ADAERN Cc1ncccc1C1=C[C@H](O)CC1 715286889 573462790 /nfs/dbraw/zinc/46/27/90/573462790.db2.gz JDPGJQJLCWBEHX-SNVBAGLBSA-N 0 0 175.231 1.928 10 0 ADAERN O=C([O-])C1([NH2+]Cc2ccoc2)CCC1 130185002 573462803 /nfs/dbraw/zinc/46/28/03/573462803.db2.gz DCJASQGAYGNDEU-UHFFFAOYSA-N 0 0 195.218 1.377 10 0 ADAERN C[C@@H](O)P1(=O)OCC(C)(C)CO1 238405306 573462808 /nfs/dbraw/zinc/46/28/08/573462808.db2.gz LMQRDBXUYAZDMG-LURJTMIESA-N 0 0 194.167 1.591 10 0 ADAERN CC(C)(C)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 259458300 573462824 /nfs/dbraw/zinc/46/28/24/573462824.db2.gz WVIVGDQBRRNMMY-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN CSCCn1ccc([C@H](C)O)c1 130076062 573462856 /nfs/dbraw/zinc/46/28/56/573462856.db2.gz SGUVEMGPIILBPY-QMMMGPOBSA-N 0 0 185.292 1.904 10 0 ADAERN CSC(=O)[C@@H]1CCCC[C@H]1O 238405037 573462861 /nfs/dbraw/zinc/46/28/61/573462861.db2.gz YTJOZXPACKWNKA-RNFRBKRXSA-N 0 0 174.265 1.427 10 0 ADAERN CCC[C@@](C[NH3+])(C(=O)[O-])C1CCC1 233405584 573462874 /nfs/dbraw/zinc/46/28/74/573462874.db2.gz RSLAATYWDVSLDS-JTQLQIEISA-N 0 0 185.267 1.616 10 0 ADAERN COc1cc(C[NH3+])ncc1C(F)F 238404717 573462877 /nfs/dbraw/zinc/46/28/77/573462877.db2.gz PEAOYSJDVPOTSD-UHFFFAOYSA-N 0 0 188.177 1.487 10 0 ADAERN Cc1nnc2cncc(Cl)n12 86492541 573462898 /nfs/dbraw/zinc/46/28/98/573462898.db2.gz QLZXSQZLZSHTBP-UHFFFAOYSA-N 0 0 168.587 1.086 10 0 ADAERN CCn1cc(C[C@@H](O)C2CC2)cn1 50542094 573462899 /nfs/dbraw/zinc/46/28/99/573462899.db2.gz YDMBWXAEPRFBBW-SNVBAGLBSA-N 0 0 180.251 1.216 10 0 ADAERN CCn1cc(CCC(C)=O)cn1 50540463 573462906 /nfs/dbraw/zinc/46/29/06/573462906.db2.gz XGQCVRQMIVEMEJ-UHFFFAOYSA-N 0 0 166.224 1.425 10 0 ADAERN C[C@@H]1OC(=O)[C@H](N)[C@@H]1c1ccccc1 238405280 573462907 /nfs/dbraw/zinc/46/29/07/573462907.db2.gz VLIQAYYAHKFRJW-UJNFCWOMSA-N 0 0 191.230 1.043 10 0 ADAERN CC(C)(O)[C@@H]1COc2ccccc21 258032107 573462912 /nfs/dbraw/zinc/46/29/12/573462912.db2.gz DSZOTYHSJFHADN-SECBINFHSA-N 0 0 178.231 1.934 10 0 ADAERN O=C([O-])[C@@H](C[NH2+]C1CCC1)C1CCC1 258377227 573462915 /nfs/dbraw/zinc/46/29/15/573462915.db2.gz SOVADALTFYQSAR-JTQLQIEISA-N 0 0 197.278 1.629 10 0 ADAERN COc1cc(CCO)cc(OC)c1C 258033574 573462920 /nfs/dbraw/zinc/46/29/20/573462920.db2.gz JFBAWWCPGWBCIU-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN Cc1c(N)nnn1[C@@H]1CCC[C@@H](C)C1 86492021 573462923 /nfs/dbraw/zinc/46/29/23/573462923.db2.gz KJYAHYYFRDAWAM-VXNVDRBHSA-N 0 0 194.282 1.920 10 0 ADAERN OCCCc1ccc2c(c1O)OCO2 258033274 573462976 /nfs/dbraw/zinc/46/29/76/573462976.db2.gz JCXKWWIDADJTJW-UHFFFAOYSA-N 0 0 196.202 1.046 10 0 ADAERN C[C@@H]1CCC[C@@H](C)C12C[C@@H](O)C2=O 238405307 573462992 /nfs/dbraw/zinc/46/29/92/573462992.db2.gz NSXGPNOQLLLKID-IWSPIJDZSA-N 0 0 182.263 1.763 10 0 ADAERN C[C@H](CO)[C@H]1CN(C)c2ccccc21 258032737 573462995 /nfs/dbraw/zinc/46/29/95/573462995.db2.gz ZIQYZHFWUFPTBA-MWLCHTKSSA-N 0 0 191.274 1.848 10 0 ADAERN N[C@@H](F)c1ccncc1 107270591 573463004 /nfs/dbraw/zinc/46/30/04/573463004.db2.gz SZHNXDGELSHFEU-ZCFIWIBFSA-N 0 0 126.134 1.008 10 0 ADAERN COC(=O)c1ccc2c(c1)[C@@H](C)[NH2+]C2 238404489 573463016 /nfs/dbraw/zinc/46/30/16/573463016.db2.gz VVWIDAXQTUWHHW-SSDOTTSWSA-N 0 0 191.230 1.637 10 0 ADAERN CC(C)c1c(N)nnn1CC(F)F 86492474 573463018 /nfs/dbraw/zinc/46/30/18/573463018.db2.gz CNSAYDSPYYTJDY-UHFFFAOYSA-N 0 0 190.197 1.249 10 0 ADAERN CC[C@@H](Cc1cnn(C)c1)C(C)=O 50540476 573463023 /nfs/dbraw/zinc/46/30/23/573463023.db2.gz VTLHVSBEHBAWAS-JTQLQIEISA-N 0 0 180.251 1.578 10 0 ADAERN CCn1c(CC(C)C)ccc(N)c1=O 257814709 573463026 /nfs/dbraw/zinc/46/30/26/573463026.db2.gz COQGUPOIKPQKBT-UHFFFAOYSA-N 0 0 194.278 1.649 10 0 ADAERN Nc1oncc1C1CCCC1 257814605 573463033 /nfs/dbraw/zinc/46/30/33/573463033.db2.gz AQZORCMCPVUKIU-UHFFFAOYSA-N 0 0 152.197 1.914 10 0 ADAERN NC(F)(F)c1cccnc1 107270554 573463034 /nfs/dbraw/zinc/46/30/34/573463034.db2.gz WDFYGQRRZJGURX-UHFFFAOYSA-N 0 0 144.124 1.090 10 0 ADAERN N[C@@H](F)c1cccnc1 107270557 573463040 /nfs/dbraw/zinc/46/30/40/573463040.db2.gz YONVJUYAZNRERH-ZCFIWIBFSA-N 0 0 126.134 1.008 10 0 ADAERN COc1cc2ccc[nH]c-2cc1=O 238404874 573463043 /nfs/dbraw/zinc/46/30/43/573463043.db2.gz FSUJBMWVYHDGLG-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN COc1ccc([C@@H](C)CO)c(O)c1C 258033360 573463051 /nfs/dbraw/zinc/46/30/51/573463051.db2.gz JDPOBPOVHGKLQC-ZETCQYMHSA-N 0 0 196.246 1.805 10 0 ADAERN FC(F)C1=NO[C@@H]2CSC[C@H]12 107268012 573463055 /nfs/dbraw/zinc/46/30/55/573463055.db2.gz SGWXUKMESKLJCA-IUYQGCFVSA-N 0 0 179.191 1.369 10 0 ADAERN CC(C)n1[n-]c2c(c1=O)C[C@@H](C)[NH2+]C2 258033111 573463078 /nfs/dbraw/zinc/46/30/78/573463078.db2.gz IRYLXDHJWFTZMF-SSDOTTSWSA-N 0 0 195.266 1.204 10 0 ADAERN CC1(C)CC(=O)[C@@H]2CC(=O)C[C@@H]2C1 258033106 573463115 /nfs/dbraw/zinc/46/31/15/573463115.db2.gz PJISZXBQAWSYEW-VXNVDRBHSA-N 0 0 180.247 1.971 10 0 ADAERN C[C@@H]1CN[C@](C)(c2ccco2)OC1 258372555 573463117 /nfs/dbraw/zinc/46/31/17/573463117.db2.gz GVKGJHCWAJSFAA-SCZZXKLOSA-N 0 0 181.235 1.708 10 0 ADAERN OC1(CC2CCCCCC2)C[NH2+]C1 257814985 573463130 /nfs/dbraw/zinc/46/31/30/573463130.db2.gz CRHUVKOJPDXRQF-UHFFFAOYSA-N 0 0 183.295 1.681 10 0 ADAERN CCCc1cc(N)c(Cl)nn1 258034018 573463134 /nfs/dbraw/zinc/46/31/34/573463134.db2.gz SMWXXHMUWODRQG-UHFFFAOYSA-N 0 0 171.631 1.665 10 0 ADAERN COC(=O)C[C@@](C)(CO)C(C)C 257814563 573463139 /nfs/dbraw/zinc/46/31/39/573463139.db2.gz CMBMRZMPYOZOEE-VIFPVBQESA-N 0 0 174.240 1.204 10 0 ADAERN COc1ccc2c(c1)OCC(=S)N2 238404825 573463142 /nfs/dbraw/zinc/46/31/42/573463142.db2.gz BURMGOZDMXELLJ-UHFFFAOYSA-N 0 0 195.243 1.827 10 0 ADAERN NNc1ccc2nc(N)sc2c1 259458830 573463148 /nfs/dbraw/zinc/46/31/48/573463148.db2.gz KZUIBRAWZMDNMT-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN CCC[C@@H](CCCC(=O)[O-])[NH2+]C 259459423 573463161 /nfs/dbraw/zinc/46/31/61/573463161.db2.gz PMDUOWNZSNQXBV-QMMMGPOBSA-N 0 0 173.256 1.629 10 0 ADAERN COc1ccc2c(c1)C[C@@H](C)C(=O)N2 238404625 573463164 /nfs/dbraw/zinc/46/31/64/573463164.db2.gz CIDXVVKKYNDMER-SSDOTTSWSA-N 0 0 191.230 1.826 10 0 ADAERN Nc1cccc([C@@]2(O)CCCOC2)c1 257814796 573463179 /nfs/dbraw/zinc/46/31/79/573463179.db2.gz CTFRJUWAFRRFRM-LLVKDONJSA-N 0 0 193.246 1.267 10 0 ADAERN CN1CCCC[C@@H]1Oc1cnoc1 258375529 573463182 /nfs/dbraw/zinc/46/31/82/573463182.db2.gz HAMSCXQNQUJDPQ-VIFPVBQESA-N 0 0 182.223 1.495 10 0 ADAERN CC(=O)Cc1ncc2cccc(O)n12 258032740 573463200 /nfs/dbraw/zinc/46/32/00/573463200.db2.gz AUPOVSLQSOWPRW-UHFFFAOYSA-N 0 0 190.202 1.171 10 0 ADAERN C[C@@H]1C=C[C@@H]2C(=O)C[C@H]12 238405017 573463217 /nfs/dbraw/zinc/46/32/17/573463217.db2.gz NWFCITKKOQUWCD-DSYKOEDSSA-N 0 0 122.167 1.398 10 0 ADAERN CC[C@H](C)Cn1nnc(N)c1C 86491828 573463219 /nfs/dbraw/zinc/46/32/19/573463219.db2.gz RCBFILRBSNAHCB-LURJTMIESA-N 0 0 168.244 1.215 10 0 ADAERN C[C@H](O)/C=C1\CCOC1(C)C 392904124 573463226 /nfs/dbraw/zinc/46/32/26/573463226.db2.gz RXIJZDXCDDVBJN-DGUDBNDOSA-N 0 0 156.225 1.493 10 0 ADAERN C[C@@H](CO)[C@H]1CN(C)c2ccccc21 258032726 573463232 /nfs/dbraw/zinc/46/32/32/573463232.db2.gz ZIQYZHFWUFPTBA-GXSJLCMTSA-N 0 0 191.274 1.848 10 0 ADAERN COc1ccc([C@H](C)CO)c(O)c1C 258033352 573463242 /nfs/dbraw/zinc/46/32/42/573463242.db2.gz JDPOBPOVHGKLQC-SSDOTTSWSA-N 0 0 196.246 1.805 10 0 ADAERN Cc1ccc2c(c1)O[C@H](CCO)O2 258378497 573463245 /nfs/dbraw/zinc/46/32/45/573463245.db2.gz XPCUDGBPYVPRHQ-SNVBAGLBSA-N 0 0 180.203 1.475 10 0 ADAERN NOCc1ccc(F)c(O)c1F 258032818 573463248 /nfs/dbraw/zinc/46/32/48/573463248.db2.gz PGENWLOYJONFEO-UHFFFAOYSA-N 0 0 175.134 1.061 10 0 ADAERN CCn1c(C(C)(C)C)cc(N)cc1=O 257814786 573463270 /nfs/dbraw/zinc/46/32/70/573463270.db2.gz CSRRIENFNIQMSW-UHFFFAOYSA-N 0 0 194.278 1.748 10 0 ADAERN C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H](C)C[NH2+]1 238803214 573463365 /nfs/dbraw/zinc/46/33/65/573463365.db2.gz GJNNVXXHPVJPCS-UTLUCORTSA-N 0 0 199.294 1.875 10 0 ADAERN COCCc1nc2n(n1)C[C@@H](C)CC2 258370464 573463296 /nfs/dbraw/zinc/46/32/96/573463296.db2.gz MEQDVIRMBVDLNT-QMMMGPOBSA-N 0 0 195.266 1.049 10 0 ADAERN C[C@@H]1C=C[C@H](O)[C@@H](C)[C@@H]1C 238404710 573463314 /nfs/dbraw/zinc/46/33/14/573463314.db2.gz KWWMKVMGYRUTND-HXFLIBJXSA-N 0 0 140.226 1.825 10 0 ADAERN O=C1C[C@@H](C2CCCCCC2)ON1 257814547 573463322 /nfs/dbraw/zinc/46/33/22/573463322.db2.gz CLHYGFVTNXRTMM-VIFPVBQESA-N 0 0 183.251 1.777 10 0 ADAERN NOCc1cccc(C2COC2)c1 258033041 573463332 /nfs/dbraw/zinc/46/33/32/573463332.db2.gz PIZREWQZILTSEX-UHFFFAOYSA-N 0 0 179.219 1.191 10 0 ADAERN NN[C@H](CC1CC1)[C@H]1CCCS1 130080358 573463334 /nfs/dbraw/zinc/46/33/34/573463334.db2.gz TYYOCKWKINVSON-RKDXNWHRSA-N 0 0 186.324 1.514 10 0 ADAERN C[NH+](C)[C@H](CCCO)c1ccccn1 259458707 573463335 /nfs/dbraw/zinc/46/33/35/573463335.db2.gz JOWNHVLOIUBULK-LLVKDONJSA-N 0 0 194.278 1.457 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)CCO2 257815343 573463338 /nfs/dbraw/zinc/46/33/38/573463338.db2.gz BASZNHWCMLQZGI-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN COCc1ccc(OC)cc1C=O 258033069 573463352 /nfs/dbraw/zinc/46/33/52/573463352.db2.gz PJDKJAHSSULQNF-UHFFFAOYSA-N 0 0 180.203 1.654 10 0 ADAERN C[C@@H](CO)[C@@H]1CN(C)c2ccccc21 258032741 573463359 /nfs/dbraw/zinc/46/33/59/573463359.db2.gz ZIQYZHFWUFPTBA-ONGXEEELSA-N 0 0 191.274 1.848 10 0 ADAERN COCc1ccc(C2(O)CC2)cc1 258032862 573463379 /nfs/dbraw/zinc/46/33/79/573463379.db2.gz PGNJBNSRRREELT-UHFFFAOYSA-N 0 0 178.231 1.814 10 0 ADAERN CC(=O)c1nn(C)c2c1[C@@H](F)CCC2 257815164 573463383 /nfs/dbraw/zinc/46/33/83/573463383.db2.gz CVYCSJVFVFDVRV-ZETCQYMHSA-N 0 0 196.225 1.970 10 0 ADAERN OCCc1cc2c(cc1F)COCO2 258036020 573464331 /nfs/dbraw/zinc/46/43/31/573464331.db2.gz JITIWYLZBIDWBG-UHFFFAOYSA-N 0 0 198.193 1.227 10 0 ADAERN C[C@H](O)C1CC(F)C1 257815399 573463385 /nfs/dbraw/zinc/46/33/85/573463385.db2.gz BCURGIIXKJNCBH-KXGSVCODSA-N 0 0 118.151 1.115 10 0 ADAERN COc1cc(OC)c(N)c(O)c1C 238405489 573463394 /nfs/dbraw/zinc/46/33/94/573463394.db2.gz VTAZDMDLZULCBO-UHFFFAOYSA-N 0 0 183.207 1.300 10 0 ADAERN Cc1c(N)noc1[C@H]1CCCCO1 257814539 573463402 /nfs/dbraw/zinc/46/34/02/573463402.db2.gz CLDSRABBOIUQBI-SSDOTTSWSA-N 0 0 182.223 1.807 10 0 ADAERN CCn1cc(C[C@H](O)C2CC2)cn1 50542093 573463409 /nfs/dbraw/zinc/46/34/09/573463409.db2.gz YDMBWXAEPRFBBW-JTQLQIEISA-N 0 0 180.251 1.216 10 0 ADAERN COC[C@@H]1CCc2c(N)cccc21 257815438 573463411 /nfs/dbraw/zinc/46/34/11/573463411.db2.gz CUCVVCYOJOPWTQ-QMMMGPOBSA-N 0 0 177.247 1.945 10 0 ADAERN N[C@H](F)c1ccccc1 107270480 573464332 /nfs/dbraw/zinc/46/43/32/573464332.db2.gz DJYGEZWRPJXPAL-ZETCQYMHSA-N 0 0 125.146 1.613 10 0 ADAERN COC(=O)c1ccc2c(c1)C[C@H]2O 238406215 573463438 /nfs/dbraw/zinc/46/34/38/573463438.db2.gz BUDCIQYHFVAXGH-SECBINFHSA-N 0 0 178.187 1.063 10 0 ADAERN CC(=O)NCc1cc(O)cc(Cl)c1 142686419 573463442 /nfs/dbraw/zinc/46/34/42/573463442.db2.gz HZVWQUVWDSEDFS-UHFFFAOYSA-N 0 0 199.637 1.682 10 0 ADAERN OCCCc1nncc(C2CCC2)n1 257815235 573463445 /nfs/dbraw/zinc/46/34/45/573463445.db2.gz CXFJEEZUVLNAMH-UHFFFAOYSA-N 0 0 193.250 1.064 10 0 ADAERN CCCC[C@@H](COC(C)(C)C)NN 130184874 573463480 /nfs/dbraw/zinc/46/34/80/573463480.db2.gz HCUPDENYIHBMRL-VIFPVBQESA-N 0 0 188.315 1.824 10 0 ADAERN CSC(=O)Nc1ccccn1 238404442 573463495 /nfs/dbraw/zinc/46/34/95/573463495.db2.gz JWKKLSBLXXWTMB-UHFFFAOYSA-N 0 0 168.221 1.977 10 0 ADAERN C[C@@](N)(F)C1CCCC1 107271576 573463503 /nfs/dbraw/zinc/46/35/03/573463503.db2.gz IKDNAKSHAHYOHK-ZETCQYMHSA-N 0 0 131.194 1.821 10 0 ADAERN COC[C@H]1CCc2c(N)cccc21 257815436 573463509 /nfs/dbraw/zinc/46/35/09/573463509.db2.gz CUCVVCYOJOPWTQ-MRVPVSSYSA-N 0 0 177.247 1.945 10 0 ADAERN C[C@@H]1C=C[C@H]2CCC(=O)[C@@H]12 238404877 573463568 /nfs/dbraw/zinc/46/35/68/573463568.db2.gz GWVXUVDATLYBFR-FJXKBIBVSA-N 0 0 136.194 1.788 10 0 ADAERN CCSc1nc(=O)[nH]n1C(C)C 139878216 573463550 /nfs/dbraw/zinc/46/35/50/573463550.db2.gz DIHVEGJHGVEEMS-UHFFFAOYSA-N 0 0 187.268 1.264 10 0 ADAERN CO[C@H](CO)c1ccc(C)o1 238405253 573463555 /nfs/dbraw/zinc/46/35/55/573463555.db2.gz QFJDSTJRQAFUDW-MRVPVSSYSA-N 0 0 156.181 1.268 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)c1ccsc1 689956699 573463562 /nfs/dbraw/zinc/46/35/62/573463562.db2.gz PGSJISYWOJRVFU-YIZRAAEISA-N 0 0 184.260 1.816 10 0 ADAERN CC[C@H](C)n1nnc(N)c1C1CC1 86492939 573463585 /nfs/dbraw/zinc/46/35/85/573463585.db2.gz NHTZGKDLGXXXQK-LURJTMIESA-N 0 0 180.255 1.709 10 0 ADAERN Cc1c(N)nnn1C1CCCC1 86491633 573463609 /nfs/dbraw/zinc/46/36/09/573463609.db2.gz AOJLULBFIZCAAU-UHFFFAOYSA-N 0 0 166.228 1.284 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)c1ccsc1 689956695 573463630 /nfs/dbraw/zinc/46/36/30/573463630.db2.gz PGSJISYWOJRVFU-HLTSFMKQSA-N 0 0 184.260 1.816 10 0 ADAERN CC(C)(C)CCn1cnnc1CO 130179526 573463643 /nfs/dbraw/zinc/46/36/43/573463643.db2.gz HZUPVRHWEFOGAC-UHFFFAOYSA-N 0 0 183.255 1.207 10 0 ADAERN CCNC(=O)N1CCC[C@H]1CC(C)=O 86496984 573463652 /nfs/dbraw/zinc/46/36/52/573463652.db2.gz RLZHRPKWHUWIGN-VIFPVBQESA-N 0 0 198.266 1.159 10 0 ADAERN COc1ncc(C(F)F)c(N)c1O 238405411 573463660 /nfs/dbraw/zinc/46/36/60/573463660.db2.gz OWBNJVUWUYDMOK-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CC(C)n1nnc(N)c1C(C)(C)C 86492783 573463665 /nfs/dbraw/zinc/46/36/65/573463665.db2.gz PIUDDZAZCZUHQD-UHFFFAOYSA-N 0 0 182.271 1.739 10 0 ADAERN CO[C@@](C)(CO)c1ccccc1O 257814542 573463668 /nfs/dbraw/zinc/46/36/68/573463668.db2.gz CLGAMXRTQKZGOR-JTQLQIEISA-N 0 0 182.219 1.246 10 0 ADAERN C[C@H]1CN[C@@](C)(c2ccco2)OC1 258372566 573463679 /nfs/dbraw/zinc/46/36/79/573463679.db2.gz GVKGJHCWAJSFAA-WCBMZHEXSA-N 0 0 181.235 1.708 10 0 ADAERN CCCC(=O)N1CC[C@@H](O)[C@@H](CC)C1 159491509 573463680 /nfs/dbraw/zinc/46/36/80/573463680.db2.gz DVRYHDVMMVJLRY-VHSXEESVSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@@H]1[NH2+]C[C@@H](C)c2ncccc21 238404759 573463704 /nfs/dbraw/zinc/46/37/04/573463704.db2.gz SVYNFQSFYVXEAQ-SFYZADRCSA-N 0 0 162.236 1.849 10 0 ADAERN CC(C)[C@@H]1CCNCC1(F)F 107273156 573463765 /nfs/dbraw/zinc/46/37/65/573463765.db2.gz PPSRVDFDWSILKR-ZETCQYMHSA-N 0 0 163.211 1.887 10 0 ADAERN COc1ccc2c(c1)[C@H](O)C=CN2 238404904 573463784 /nfs/dbraw/zinc/46/37/84/573463784.db2.gz CLEISQUYEYMPRP-SNVBAGLBSA-N 0 0 177.203 1.668 10 0 ADAERN COC[C@]1(O)CCc2cc(C)ccc21 257815630 573464921 /nfs/dbraw/zinc/46/49/21/573464921.db2.gz DCJZVZJQVKTTGO-GFCCVEGCSA-N 0 0 192.258 1.775 10 0 ADAERN Cc1c(N)nnn1CCC(C)(C)C 86491612 573463789 /nfs/dbraw/zinc/46/37/89/573463789.db2.gz GNJIRXPFVQUPAX-UHFFFAOYSA-N 0 0 182.271 1.605 10 0 ADAERN COc1cc(C=O)c(N)c(OC)c1 238405462 573463794 /nfs/dbraw/zinc/46/37/94/573463794.db2.gz PPQVANXOPAPFSR-UHFFFAOYSA-N 0 0 181.191 1.099 10 0 ADAERN CN(O)CC[C@@H]1CCCOC1 258498220 573463796 /nfs/dbraw/zinc/46/37/96/573463796.db2.gz KRQDHGMUQNDYRP-QMMMGPOBSA-N 0 0 159.229 1.124 10 0 ADAERN CC(C)c1ncc(OC[C@H](C)O)cn1 258377855 573463801 /nfs/dbraw/zinc/46/38/01/573463801.db2.gz HDTWOIVZGKKNTD-QMMMGPOBSA-N 0 0 196.250 1.360 10 0 ADAERN CCn1ncc(N)c1CC(C)C 258497913 573463809 /nfs/dbraw/zinc/46/38/09/573463809.db2.gz KPUQOZBTLXPYLA-UHFFFAOYSA-N 0 0 167.256 1.684 10 0 ADAERN C[C@@H]1CCCO[C@@H]1CCCO 238404151 573463810 /nfs/dbraw/zinc/46/38/10/573463810.db2.gz RBZMXONVICYSHD-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CC[C@@H](C)n1nnc(N)c1C 86491755 573463814 /nfs/dbraw/zinc/46/38/14/573463814.db2.gz VMFAJEVDUMMESE-RXMQYKEDSA-N 0 0 154.217 1.140 10 0 ADAERN O=CN1CCC[C@H]1[C@H]1CCCCC1=O 86498241 573463847 /nfs/dbraw/zinc/46/38/47/573463847.db2.gz IRMVCCXGDXIEON-ZJUUUORDSA-N 0 0 195.262 1.367 10 0 ADAERN Cc1c(N)noc1[C@@H]1CCCCO1 257814540 573463857 /nfs/dbraw/zinc/46/38/57/573463857.db2.gz CLDSRABBOIUQBI-ZETCQYMHSA-N 0 0 182.223 1.807 10 0 ADAERN COCCc1cn2c(n1)C[C@@H](C)CC2 258395901 573464926 /nfs/dbraw/zinc/46/49/26/573464926.db2.gz NJQLPUZPXQTVOY-VIFPVBQESA-N 0 0 194.278 1.654 10 0 ADAERN COc1cc([C@H](C)O)cc(OC)c1N 258036216 573463876 /nfs/dbraw/zinc/46/38/76/573463876.db2.gz JNCYBNHIKQHQTK-LURJTMIESA-N 0 0 197.234 1.339 10 0 ADAERN C[C@@H](O)N1C(=O)C[C@H]1c1ccccc1 238404329 573463894 /nfs/dbraw/zinc/46/38/94/573463894.db2.gz AUTSKBXDBJSORI-SCZZXKLOSA-N 0 0 191.230 1.298 10 0 ADAERN CCC[C@@](C[NH3+])(C(=O)[O-])C(F)(F)F 257815149 573463895 /nfs/dbraw/zinc/46/38/95/573463895.db2.gz BLJLASBOGWAKFM-ZCFIWIBFSA-N 0 0 199.172 1.379 10 0 ADAERN CCC(C)(C)CON 78961656 573463923 /nfs/dbraw/zinc/46/39/23/573463923.db2.gz FULSJOFOTLHVIA-UHFFFAOYSA-N 0 0 117.192 1.313 10 0 ADAERN CONCc1c(F)ccc(OC)c1C 258034688 573463945 /nfs/dbraw/zinc/46/39/45/573463945.db2.gz FQRVPFVOIPIEPX-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN O=Cc1ccc(C2(F)COC2)cc1 107271638 573463946 /nfs/dbraw/zinc/46/39/46/573463946.db2.gz JHAYHXUSOPKDRZ-UHFFFAOYSA-N 0 0 180.178 1.694 10 0 ADAERN COc1cc2ccnn2cc1Cl 238405181 573463949 /nfs/dbraw/zinc/46/39/49/573463949.db2.gz RSVDFJVXARHCES-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN COc1cc2cc[nH]c2cc1CON 258036059 573463955 /nfs/dbraw/zinc/46/39/55/573463955.db2.gz JJQQUAYHOMHASG-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN CN(C)c1cccc2cc(N)cnc12 257814535 573463979 /nfs/dbraw/zinc/46/39/79/573463979.db2.gz CKUIYIGXVOGELF-UHFFFAOYSA-N 0 0 187.246 1.883 10 0 ADAERN CCC[C@@H]1CC(=O)CCC1=O 142693462 573464002 /nfs/dbraw/zinc/46/40/02/573464002.db2.gz HEGGNUXBTJYEQV-SSDOTTSWSA-N 0 0 154.209 1.725 10 0 ADAERN CN1CCCC[C@H]1Oc1cnoc1 258375522 573464012 /nfs/dbraw/zinc/46/40/12/573464012.db2.gz HAMSCXQNQUJDPQ-SECBINFHSA-N 0 0 182.223 1.495 10 0 ADAERN C[C@@H]1CC(=O)c2ncnc(Cl)c21 107268966 573464049 /nfs/dbraw/zinc/46/40/49/573464049.db2.gz OVENEGFVJBEMEC-SCSAIBSYSA-N 0 0 182.610 1.820 10 0 ADAERN CC(=O)[C@@H](F)c1ccncc1 107270604 573464057 /nfs/dbraw/zinc/46/40/57/573464057.db2.gz LGMLANXSCUROKO-MRVPVSSYSA-N 0 0 153.156 1.681 10 0 ADAERN CCOC(=O)CCc1nonc1CC 259461464 573464064 /nfs/dbraw/zinc/46/40/64/573464064.db2.gz AEEOVRMSPZJFGR-UHFFFAOYSA-N 0 0 198.222 1.128 10 0 ADAERN COC(=O)c1ccc2c(c1)[C@H](C)[NH2+]C2 238404439 573464068 /nfs/dbraw/zinc/46/40/68/573464068.db2.gz VVWIDAXQTUWHHW-ZETCQYMHSA-N 0 0 191.230 1.637 10 0 ADAERN CCOC(=O)[C@@H](C)[C@@H]1CCCOC1 259461304 573464071 /nfs/dbraw/zinc/46/40/71/573464071.db2.gz AAWUXPPPHYXFJF-DTWKUNHWSA-N 0 0 186.251 1.612 10 0 ADAERN NC(F)(F)c1ccccn1 107270537 573464079 /nfs/dbraw/zinc/46/40/79/573464079.db2.gz AZNRVKAGCKMTIP-UHFFFAOYSA-N 0 0 144.124 1.090 10 0 ADAERN CCOC(=O)C1(c2ccon2)CC1 259461435 573464935 /nfs/dbraw/zinc/46/49/35/573464935.db2.gz ADLMULXWKDFXOW-UHFFFAOYSA-N 0 0 181.191 1.269 10 0 ADAERN Cc1ncccc1C1=C[C@@H](O)CC1 715286883 573464101 /nfs/dbraw/zinc/46/41/01/573464101.db2.gz JDPGJQJLCWBEHX-JTQLQIEISA-N 0 0 175.231 1.928 10 0 ADAERN C[C@H](O)c1ccc(CC2COC2)cc1 258035982 573464108 /nfs/dbraw/zinc/46/41/08/573464108.db2.gz JHPQCPCFSVUURQ-VIFPVBQESA-N 0 0 192.258 1.929 10 0 ADAERN CONCc1cc(C)cc(O)c1 258035189 573464117 /nfs/dbraw/zinc/46/41/17/573464117.db2.gz POZBIPPSSZYBAA-UHFFFAOYSA-N 0 0 167.208 1.352 10 0 ADAERN NN[C@@H](CC1CC1)[C@@H]1CCCS1 130080970 573464148 /nfs/dbraw/zinc/46/41/48/573464148.db2.gz TYYOCKWKINVSON-IUCAKERBSA-N 0 0 186.324 1.514 10 0 ADAERN CCC[C@](C[NH3+])(C(=O)[O-])C(F)(F)F 257815148 573464180 /nfs/dbraw/zinc/46/41/80/573464180.db2.gz BLJLASBOGWAKFM-LURJTMIESA-N 0 0 199.172 1.379 10 0 ADAERN O=Cc1nc(C(F)F)cs1 107267937 573464181 /nfs/dbraw/zinc/46/41/81/573464181.db2.gz RYITYDUCHQKXQB-UHFFFAOYSA-N 0 0 163.148 1.893 10 0 ADAERN CSC(=O)[C@@H]([NH3+])CC(C)C 238404963 573464182 /nfs/dbraw/zinc/46/41/82/573464182.db2.gz IJPPRICQRXZIQT-LURJTMIESA-N 0 0 161.270 1.249 10 0 ADAERN NOCCc1cc(F)c(O)cc1F 258035990 573464192 /nfs/dbraw/zinc/46/41/92/573464192.db2.gz JHTXABRQNWYSDG-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN CC[C@@H](C)n1nnc(N)c1C(C)C 86492440 573464203 /nfs/dbraw/zinc/46/42/03/573464203.db2.gz YGCBBFCJLDXNGP-SSDOTTSWSA-N 0 0 182.271 1.955 10 0 ADAERN COc1ncc(C(F)F)c(N)c1N 238405369 573464213 /nfs/dbraw/zinc/46/42/13/573464213.db2.gz VMSDWVHTCIVRGX-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN Nc1c(F)cccc1Cc1cn[nH]c1 257814758 573464218 /nfs/dbraw/zinc/46/42/18/573464218.db2.gz CRDOJGBNDQXJHL-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN Nc1cccc([C@]2(O)CCCOC2)c1 257814797 573464227 /nfs/dbraw/zinc/46/42/27/573464227.db2.gz CTFRJUWAFRRFRM-NSHDSACASA-N 0 0 193.246 1.267 10 0 ADAERN CSC(=S)CCO 238406224 573464948 /nfs/dbraw/zinc/46/49/48/573464948.db2.gz GBNSDWGELHPDFJ-UHFFFAOYSA-N 0 0 136.241 1.059 10 0 ADAERN Cc1cc2c(c(N)c1C)OCCO2 257814566 573464239 /nfs/dbraw/zinc/46/42/39/573464239.db2.gz CMCSZAFRRNSNNN-UHFFFAOYSA-N 0 0 179.219 1.657 10 0 ADAERN FC(F)C1=NO[C@H]2CSC[C@@H]12 107268014 573464248 /nfs/dbraw/zinc/46/42/48/573464248.db2.gz SGWXUKMESKLJCA-DMTCNVIQSA-N 0 0 179.191 1.369 10 0 ADAERN N[C@H](F)c1ccccn1 107270534 573464253 /nfs/dbraw/zinc/46/42/53/573464253.db2.gz SVULGFKJQVBXGN-LURJTMIESA-N 0 0 126.134 1.008 10 0 ADAERN CCc1cccc2nc(C(=O)[O-])cn12 142696873 573464260 /nfs/dbraw/zinc/46/42/60/573464260.db2.gz GAAZSTPQMILBGW-UHFFFAOYSA-N 0 0 190.202 1.595 10 0 ADAERN CC[C@](C)([NH2+]Cc1ccoc1)C(=O)[O-] 130182561 573464267 /nfs/dbraw/zinc/46/42/67/573464267.db2.gz VBTAOVFPQIUMOI-JTQLQIEISA-N 0 0 197.234 1.623 10 0 ADAERN CCC1C[NH+]([C@@H](CC(=O)[O-])C2CC2)C1 130184628 573464277 /nfs/dbraw/zinc/46/42/77/573464277.db2.gz IXGXXROPGLJERW-JTQLQIEISA-N 0 0 197.278 1.582 10 0 ADAERN CN1C[C@H](c2cccs2)N(C)C1=O 259460674 573464284 /nfs/dbraw/zinc/46/42/84/573464284.db2.gz NIMZKGNKXPNCGG-SSDOTTSWSA-N 0 0 196.275 1.786 10 0 ADAERN CCOC(=O)[C@H](C)[C@@H]1CCCOC1 259461310 573464952 /nfs/dbraw/zinc/46/49/52/573464952.db2.gz AAWUXPPPHYXFJF-RKDXNWHRSA-N 0 0 186.251 1.612 10 0 ADAERN CC(C)c1c(N)nnn1CC1CC1 86492419 573464953 /nfs/dbraw/zinc/46/49/53/573464953.db2.gz CLGIWDHVXHGAKQ-UHFFFAOYSA-N 0 0 180.255 1.394 10 0 ADAERN C[C@]1(F)CCCc2n[nH]c(CO)c21 257814934 573464328 /nfs/dbraw/zinc/46/43/28/573464328.db2.gz COQRQQKLTFBGGU-VIFPVBQESA-N 0 0 184.214 1.423 10 0 ADAERN CSc1cc(C)cnc1C=O 238405216 573464348 /nfs/dbraw/zinc/46/43/48/573464348.db2.gz MMANAXKVZBLJGF-UHFFFAOYSA-N 0 0 167.233 1.924 10 0 ADAERN COc1cc(OC)c(CO)c(C)c1C 238404863 573464355 /nfs/dbraw/zinc/46/43/55/573464355.db2.gz FADFUZJCXHCCTJ-UHFFFAOYSA-N 0 0 196.246 1.813 10 0 ADAERN C/C=C\C1=NOCC1 138490893 573464378 /nfs/dbraw/zinc/46/43/78/573464378.db2.gz OCWWBKGUCHLVKS-IHWYPQMZSA-N 0 0 111.144 1.339 10 0 ADAERN CC(C)[C@H]1CCNCC1(F)F 107273162 573464385 /nfs/dbraw/zinc/46/43/85/573464385.db2.gz PPSRVDFDWSILKR-SSDOTTSWSA-N 0 0 163.211 1.887 10 0 ADAERN C[C@H](O)c1cc(N(C)C)ccc1O 258034906 573464389 /nfs/dbraw/zinc/46/43/89/573464389.db2.gz PLQCGOQHCIIARX-ZETCQYMHSA-N 0 0 181.235 1.512 10 0 ADAERN CC[C@@H](C)n1nnc(N)c1C1CC1 86492936 573464396 /nfs/dbraw/zinc/46/43/96/573464396.db2.gz NHTZGKDLGXXXQK-ZCFIWIBFSA-N 0 0 180.255 1.709 10 0 ADAERN Cc1ccc(Cn2nnc(N)c2C)o1 86491686 573464409 /nfs/dbraw/zinc/46/44/09/573464409.db2.gz AAWBWCGMHDIGRU-UHFFFAOYSA-N 0 0 192.222 1.118 10 0 ADAERN COCc1c(CO)ccc2c1OCO2 258036014 573464410 /nfs/dbraw/zinc/46/44/10/573464410.db2.gz JIRAZOUNUAGDAK-UHFFFAOYSA-N 0 0 196.202 1.054 10 0 ADAERN COc1cc2ccnn2cc1F 238405202 573464425 /nfs/dbraw/zinc/46/44/25/573464425.db2.gz WIFNLVQJUUZAPO-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN Cc1c(N)nnn1Cc1ccccc1 86491746 573464426 /nfs/dbraw/zinc/46/44/26/573464426.db2.gz UBEPXZSBGQOJAU-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CSC(=O)S[C@H]1CC(=O)N1 238404714 573464437 /nfs/dbraw/zinc/46/44/37/573464437.db2.gz IPKZDMZBPFTXFU-BYPYZUCNSA-N 0 0 177.250 1.049 10 0 ADAERN C[C@H](O)c1cccc(C2(CO)CC2)c1 259462402 573464445 /nfs/dbraw/zinc/46/44/45/573464445.db2.gz NNOUONAOXPJKLT-VIFPVBQESA-N 0 0 192.258 1.764 10 0 ADAERN CC(C)([NH3+])Cc1ccc(N)c([S-])c1 259461022 573464452 /nfs/dbraw/zinc/46/44/52/573464452.db2.gz LFRPLXQETCCMSX-UHFFFAOYSA-N 0 0 196.319 1.837 10 0 ADAERN COc1c(C)ccc([C@H](C)CO)c1O 258036163 573464461 /nfs/dbraw/zinc/46/44/61/573464461.db2.gz JLZYUXZWLHLZLC-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN COC(=O)C[C@](C)(CO)C(C)C 257814562 573464487 /nfs/dbraw/zinc/46/44/87/573464487.db2.gz CMBMRZMPYOZOEE-SECBINFHSA-N 0 0 174.240 1.204 10 0 ADAERN O=CN1CCC[C@@H]1[C@@H]1CCCCC1=O 86498244 573464492 /nfs/dbraw/zinc/46/44/92/573464492.db2.gz IRMVCCXGDXIEON-VHSXEESVSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H]([NH3+])c1cc([O-])ccc1C=O 258035053 573464508 /nfs/dbraw/zinc/46/45/08/573464508.db2.gz PNJOEYKYIJQVGI-ZCFIWIBFSA-N 0 0 165.192 1.224 10 0 ADAERN CC(=O)C(F)(F)c1ccccn1 107270572 573464531 /nfs/dbraw/zinc/46/45/31/573464531.db2.gz BBULBPZZAFBKCM-UHFFFAOYSA-N 0 0 171.146 1.762 10 0 ADAERN CCCn1nnc(N)c1C(C)C 86492529 573464549 /nfs/dbraw/zinc/46/45/49/573464549.db2.gz SKUWCMWEUXTPKE-UHFFFAOYSA-N 0 0 168.244 1.394 10 0 ADAERN Cc1cc(Cl)cc(=O)o1 139411430 573464551 /nfs/dbraw/zinc/46/45/51/573464551.db2.gz RKJCPBWPPDKSHC-UHFFFAOYSA-N 0 0 144.557 1.602 10 0 ADAERN C[C@H](O)c1cccc2c1N(C)CC2 258035460 573464562 /nfs/dbraw/zinc/46/45/62/573464562.db2.gz ZKEJFBPLSIZBFU-QMMMGPOBSA-N 0 0 177.247 1.732 10 0 ADAERN O=C1Nc2ccc(O)cc2NC12CC2 258400603 573464573 /nfs/dbraw/zinc/46/45/73/573464573.db2.gz CCSXDVIZONCIEP-UHFFFAOYSA-N 0 0 190.202 1.289 10 0 ADAERN CC(=O)Cc1ccc(F)nc1 107268284 573464583 /nfs/dbraw/zinc/46/45/83/573464583.db2.gz YEXDQHVHWDFGTM-UHFFFAOYSA-N 0 0 153.156 1.352 10 0 ADAERN Cc1cc(C(C)C)nc(CCCO)n1 259462106 573464586 /nfs/dbraw/zinc/46/45/86/573464586.db2.gz YTTUFBHHFSJGEO-UHFFFAOYSA-N 0 0 194.278 1.833 10 0 ADAERN Nc1cn(C2CCCCC2)nn1 86491289 573464592 /nfs/dbraw/zinc/46/45/92/573464592.db2.gz FXFPCZNIKQTJDQ-UHFFFAOYSA-N 0 0 166.228 1.366 10 0 ADAERN CC(C)Oc1cccc(CCON)c1 258036093 573464595 /nfs/dbraw/zinc/46/45/95/573464595.db2.gz JKPAGRFDMSTHEE-UHFFFAOYSA-N 0 0 195.262 1.907 10 0 ADAERN OCc1cc([C@H]2CCCSC2)on1 258395205 573464616 /nfs/dbraw/zinc/46/46/16/573464616.db2.gz BNNWLOYRFPRWOT-ZETCQYMHSA-N 0 0 199.275 1.778 10 0 ADAERN CC1(C)C[NH+]([C@H](CC(=O)[O-])C2CC2)C1 130186181 573464628 /nfs/dbraw/zinc/46/46/28/573464628.db2.gz MKBJDTSXCIMCKW-SECBINFHSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H]1C=NO[C@@]1(O)c1ccccc1O 238405452 573464637 /nfs/dbraw/zinc/46/46/37/573464637.db2.gz YLKXJVZLSYLOFP-GMSGAONNSA-N 0 0 193.202 1.189 10 0 ADAERN Cc1ccc(NC(=O)NC[C@@H](C)O)o1 258388390 573464648 /nfs/dbraw/zinc/46/46/48/573464648.db2.gz HRHWGXMYOAWXCD-ZCFIWIBFSA-N 0 0 198.222 1.090 10 0 ADAERN CC1C[NH+]([C@@H](CC(=O)[O-])C2CC2)C1 130185017 573464649 /nfs/dbraw/zinc/46/46/49/573464649.db2.gz BBFGXLPBSHWVLR-VIFPVBQESA-N 0 0 183.251 1.191 10 0 ADAERN Nc1cnnc(CC2CCOCC2)c1 259462404 573464666 /nfs/dbraw/zinc/46/46/66/573464666.db2.gz NNPOZUFDRWQYKU-UHFFFAOYSA-N 0 0 193.250 1.028 10 0 ADAERN Cc1c(N)nnn1[C@@H]1CCC[C@H](C)C1 86492016 573464671 /nfs/dbraw/zinc/46/46/71/573464671.db2.gz KJYAHYYFRDAWAM-IONNQARKSA-N 0 0 194.282 1.920 10 0 ADAERN CC(=O)CCCCN1C(=O)CC[C@H]1C 308592704 573464905 /nfs/dbraw/zinc/46/49/05/573464905.db2.gz WMXLLYAUBYSQIR-SECBINFHSA-N 0 0 197.278 1.757 10 0 ADAERN COc1ccc2c(c1)N(C)CN2 238405400 573464688 /nfs/dbraw/zinc/46/46/88/573464688.db2.gz VYLYPVLGZWUSKK-UHFFFAOYSA-N 0 0 164.208 1.514 10 0 ADAERN CC(C)c1c(N)nnn1CC1CCC1 86492477 573464690 /nfs/dbraw/zinc/46/46/90/573464690.db2.gz SCPOPQAJQOHELS-UHFFFAOYSA-N 0 0 194.282 1.784 10 0 ADAERN CCCCOC(=O)[C@H](C)NC1CCC1 308592360 573464691 /nfs/dbraw/zinc/46/46/91/573464691.db2.gz KVHCOPUZPYZZFF-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN COc1cnc(CC(F)(F)F)nc1 238404048 573464695 /nfs/dbraw/zinc/46/46/95/573464695.db2.gz XQWCICJATAOVEP-UHFFFAOYSA-N 0 0 192.140 1.590 10 0 ADAERN Cc1c(N)nnn1Cc1ccsc1 86491631 573464696 /nfs/dbraw/zinc/46/46/96/573464696.db2.gz PWJNXAQPMYMNKX-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN NC(F)(F)CC1CC1 107268259 573464908 /nfs/dbraw/zinc/46/49/08/573464908.db2.gz JMRJQLNUOPDACU-UHFFFAOYSA-N 0 0 121.130 1.338 10 0 ADAERN O=Cc1cnn(Cc2nccs2)c1 107269014 573464719 /nfs/dbraw/zinc/46/47/19/573464719.db2.gz FVNHEKHDYSVQCB-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN C[C@H]1Nc2cc(O)ccc2SC1=O 258393184 573464721 /nfs/dbraw/zinc/46/47/21/573464721.db2.gz BFYXFKHKLZCHMZ-RXMQYKEDSA-N 0 0 195.243 1.825 10 0 ADAERN COc1cc(C[NH3+])ccc1[S-] 238403995 573464754 /nfs/dbraw/zinc/46/47/54/573464754.db2.gz UXIUDKRZMXVDPJ-UHFFFAOYSA-N 0 0 169.249 1.443 10 0 ADAERN CC(=O)C[C@H]1CCCCN1C(C)=O 86498776 573464768 /nfs/dbraw/zinc/46/47/68/573464768.db2.gz DGVRLXSFLYWTEO-SNVBAGLBSA-N 0 0 183.251 1.367 10 0 ADAERN COc1ccc2c(c1)C[C@H](C)C(=O)N2 238404425 573464770 /nfs/dbraw/zinc/46/47/70/573464770.db2.gz CIDXVVKKYNDMER-ZETCQYMHSA-N 0 0 191.230 1.826 10 0 ADAERN CCCc1c(N)nnn1CCC 86492717 573464782 /nfs/dbraw/zinc/46/47/82/573464782.db2.gz LWQCJQYTXAGPPV-UHFFFAOYSA-N 0 0 168.244 1.223 10 0 ADAERN C[C@H](F)C[NH+]1CCC(C(=O)[O-])CC1 107272931 573464822 /nfs/dbraw/zinc/46/48/22/573464822.db2.gz JEBYHEAMUXXJMU-ZETCQYMHSA-N 0 0 189.230 1.141 10 0 ADAERN CSc1cc2c(nn1)NCCCC2 139758537 573464826 /nfs/dbraw/zinc/46/48/26/573464826.db2.gz BSCTVORPWHVMLK-UHFFFAOYSA-N 0 0 195.291 1.947 10 0 ADAERN CC(C)Cn1nnc(N)c1C1CC1 86492872 573464828 /nfs/dbraw/zinc/46/48/28/573464828.db2.gz KPQGXLLAZXAPAZ-UHFFFAOYSA-N 0 0 180.255 1.394 10 0 ADAERN CC(C)C[C@@H](C)NN1CCOCC1 214440314 573464896 /nfs/dbraw/zinc/46/48/96/573464896.db2.gz ZODNDPJMHSCVML-SNVBAGLBSA-N 0 0 186.299 1.258 10 0 ADAERN CC[C@H](CO)c1nc2ccccn2n1 259461030 573464839 /nfs/dbraw/zinc/46/48/39/573464839.db2.gz LGDSQINNLDWZOY-MRVPVSSYSA-N 0 0 191.234 1.215 10 0 ADAERN CSC(=O)c1c(C)cc(O)cc1O 238405475 573464848 /nfs/dbraw/zinc/46/48/48/573464848.db2.gz YFQVQRCDNGAXQX-UHFFFAOYSA-N 0 0 198.243 1.909 10 0 ADAERN CCCCOC(=O)[C@@H](C)NC1CCC1 308592359 573464851 /nfs/dbraw/zinc/46/48/51/573464851.db2.gz KVHCOPUZPYZZFF-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN CSC(=O)[C@H](C)C(=O)C(C)C 238405163 573464912 /nfs/dbraw/zinc/46/49/12/573464912.db2.gz AHGCVFYXDXBMHZ-ZCFIWIBFSA-N 0 0 174.265 1.737 10 0 ADAERN CC(F)(F)[C@@H]1CCCCN1 107268344 573464867 /nfs/dbraw/zinc/46/48/67/573464867.db2.gz PXCZHZPRBDPMIR-LURJTMIESA-N 0 0 149.184 1.784 10 0 ADAERN C[C@@H](O)N1C(=O)C[C@@H]1c1ccccc1 238404318 573464869 /nfs/dbraw/zinc/46/48/69/573464869.db2.gz AUTSKBXDBJSORI-PSASIEDQSA-N 0 0 191.230 1.298 10 0 ADAERN CCOC(=O)C(F)(F)C1CC1 107268245 573464879 /nfs/dbraw/zinc/46/48/79/573464879.db2.gz JPJCZLPALXUOFT-UHFFFAOYSA-N 0 0 164.151 1.595 10 0 ADAERN C[C@@H]1Cc2cc(C(=O)C=O)ccc2O1 238404266 573464880 /nfs/dbraw/zinc/46/48/80/573464880.db2.gz YYZYSOOJNGPTJA-SSDOTTSWSA-N 0 0 190.198 1.392 10 0 ADAERN COc1cc([C@@H](C)O)cc(OC)c1N 258036220 573464885 /nfs/dbraw/zinc/46/48/85/573464885.db2.gz JNCYBNHIKQHQTK-ZCFIWIBFSA-N 0 0 197.234 1.339 10 0 ADAERN CN(O)CC[C@H]1CCCOC1 258498185 573464889 /nfs/dbraw/zinc/46/48/89/573464889.db2.gz KRQDHGMUQNDYRP-MRVPVSSYSA-N 0 0 159.229 1.124 10 0 ADAERN Nc1nnn(C2CCCC2)c1C1CC1 86492857 573465278 /nfs/dbraw/zinc/46/52/78/573465278.db2.gz LRFMISFEYKXBQA-UHFFFAOYSA-N 0 0 192.266 1.853 10 0 ADAERN OC[C@H]1CC[C@@H]1c1ccc(O)cc1 257815784 573465281 /nfs/dbraw/zinc/46/52/81/573465281.db2.gz CYEULIMBISNSOQ-MWLCHTKSSA-N 0 0 178.231 1.878 10 0 ADAERN Cc1ccccc1CC1(CO)COC1 259463705 573465284 /nfs/dbraw/zinc/46/52/84/573465284.db2.gz REFAJYYDAUMSAO-UHFFFAOYSA-N 0 0 192.258 1.546 10 0 ADAERN COc1cc2ccnn2cc1C 238405146 573465290 /nfs/dbraw/zinc/46/52/90/573465290.db2.gz JURQHFKNOCRORW-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN CN1C[C@@H](c2cccs2)N(C)C1=O 259460677 573465292 /nfs/dbraw/zinc/46/52/92/573465292.db2.gz NIMZKGNKXPNCGG-ZETCQYMHSA-N 0 0 196.275 1.786 10 0 ADAERN COC(=O)c1cc(CO)c(C)cc1C 258036147 573465312 /nfs/dbraw/zinc/46/53/12/573465312.db2.gz JLVSJWRRIAJPNV-UHFFFAOYSA-N 0 0 194.230 1.582 10 0 ADAERN CCOC(=O)[C@@H](C)[C@H]1CCCOC1 259461307 573465335 /nfs/dbraw/zinc/46/53/35/573465335.db2.gz AAWUXPPPHYXFJF-IUCAKERBSA-N 0 0 186.251 1.612 10 0 ADAERN CC(C)c1nnc2n1[C@@H](O)CCC2 258396310 573465337 /nfs/dbraw/zinc/46/53/37/573465337.db2.gz UQPSBEWAHJPZHH-QMMMGPOBSA-N 0 0 181.239 1.229 10 0 ADAERN Cc1ccc2[nH]oc(=O)c2c1 142698395 573465338 /nfs/dbraw/zinc/46/53/38/573465338.db2.gz GEWKRPKYMONHAA-UHFFFAOYSA-N 0 0 149.149 1.430 10 0 ADAERN COc1ncc(C(F)F)c(N)c1F 238405323 573465356 /nfs/dbraw/zinc/46/53/56/573465356.db2.gz RKKHPFYLWLDIIO-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN S=c1nc2[nH]ccnc-2c(=S)[nH]1 140532624 573465360 /nfs/dbraw/zinc/46/53/60/573465360.db2.gz NVJMRINSWKVAKE-UHFFFAOYSA-N 0 0 196.260 1.745 10 0 ADAERN C[C@H](CO)c1cc(F)c2c(c1)OCO2 258036091 573465369 /nfs/dbraw/zinc/46/53/69/573465369.db2.gz JKIBAIJYVNVBJM-ZCFIWIBFSA-N 0 0 198.193 1.650 10 0 ADAERN COc1cc2ccoc2ccc1=O 238405332 573465372 /nfs/dbraw/zinc/46/53/72/573465372.db2.gz LNZOIDPRLMVICQ-UHFFFAOYSA-N 0 0 176.171 1.802 10 0 ADAERN CC(C)CNc1cnns1 83339664 573465376 /nfs/dbraw/zinc/46/53/76/573465376.db2.gz BGJRTGBDPGMVGD-UHFFFAOYSA-N 0 0 157.242 1.606 10 0 ADAERN COC(=O)C[C@](C)(CO)CC(C)C 257815968 573465377 /nfs/dbraw/zinc/46/53/77/573465377.db2.gz DENOMIBPWZMTSG-SNVBAGLBSA-N 0 0 188.267 1.594 10 0 ADAERN C[C@H]([NH3+])c1cc([O-])ccc1C=O 258035050 573465381 /nfs/dbraw/zinc/46/53/81/573465381.db2.gz PNJOEYKYIJQVGI-LURJTMIESA-N 0 0 165.192 1.224 10 0 ADAERN C[C@H]1COc2c(CO)cccc2N1 258393242 573465402 /nfs/dbraw/zinc/46/54/02/573465402.db2.gz BIJYYOXOULONPS-ZETCQYMHSA-N 0 0 179.219 1.372 10 0 ADAERN CC(C)CNc1cncnc1 83339546 573465413 /nfs/dbraw/zinc/46/54/13/573465413.db2.gz WTPVFSRDJWGHKC-UHFFFAOYSA-N 0 0 151.213 1.545 10 0 ADAERN CC1(C)CC(C)(C)C(=O)N1 138496061 573465434 /nfs/dbraw/zinc/46/54/34/573465434.db2.gz TVGBHYDZLMHSQO-UHFFFAOYSA-N 0 0 141.214 1.311 10 0 ADAERN CCOC(=O)[C@@H]1CCc2nn(C)cc21 259461446 573465438 /nfs/dbraw/zinc/46/54/38/573465438.db2.gz ADWJBTPRDAMACE-SSDOTTSWSA-N 0 0 194.234 1.013 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)C=CN2 238404919 573465452 /nfs/dbraw/zinc/46/54/52/573465452.db2.gz CLEISQUYEYMPRP-JTQLQIEISA-N 0 0 177.203 1.668 10 0 ADAERN C[C@@H]1CNc2ccc(O)cc2N1 258395064 573465460 /nfs/dbraw/zinc/46/54/60/573465460.db2.gz BJMQFLWUADMMAC-ZCFIWIBFSA-N 0 0 164.208 1.618 10 0 ADAERN COc1cccc2cc(CO)ncc12 238404791 573465461 /nfs/dbraw/zinc/46/54/61/573465461.db2.gz XZKYETBYEDTKIQ-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN C[C@@]1(c2cccc(F)c2)CCC(=O)N1 257815987 573465936 /nfs/dbraw/zinc/46/59/36/573465936.db2.gz DFHITOBPPGZOLN-NSHDSACASA-N 0 0 193.221 1.951 10 0 ADAERN COc1ccc2nc(C)c(C=O)n2c1 257815577 573465467 /nfs/dbraw/zinc/46/54/67/573465467.db2.gz CYZFTUWWIUGBAC-UHFFFAOYSA-N 0 0 190.202 1.464 10 0 ADAERN O=C1[C@@H]2C[C@@H]2[C@H]2CCc3ccccc3N12 257816052 573465479 /nfs/dbraw/zinc/46/54/79/573465479.db2.gz BUDNUPRESCEWLH-HOSYDEDBSA-N 0 0 199.253 1.984 10 0 ADAERN C[C@@H](O)c1cccc(C2(CO)CC2)c1 259462399 573465483 /nfs/dbraw/zinc/46/54/83/573465483.db2.gz NNOUONAOXPJKLT-SECBINFHSA-N 0 0 192.258 1.764 10 0 ADAERN CCCNc1cc(NC#N)nc(C)n1 258662347 573465484 /nfs/dbraw/zinc/46/54/84/573465484.db2.gz HHUCBWHIOIOFHL-UHFFFAOYSA-N 0 0 191.238 1.500 10 0 ADAERN C[C@H]1CN(c2ccccc2O)C(=O)N1 257815595 573465486 /nfs/dbraw/zinc/46/54/86/573465486.db2.gz CZRDJTARXLSGKO-ZETCQYMHSA-N 0 0 192.218 1.310 10 0 ADAERN Cc1ccc2c(c1O)OCO2 139325686 573465505 /nfs/dbraw/zinc/46/55/05/573465505.db2.gz AGHUGKLZJWAEOD-UHFFFAOYSA-N 0 0 152.149 1.429 10 0 ADAERN c1coc(Oc2cn[nH]c2)c1 258397122 573465515 /nfs/dbraw/zinc/46/55/15/573465515.db2.gz ICRICMAWTCBTNS-UHFFFAOYSA-N 0 0 150.137 1.795 10 0 ADAERN [NH3+]C[C@@H]1[C@H](C(=O)[O-])[C@@H]1c1ccccc1 257815534 573465546 /nfs/dbraw/zinc/46/55/46/573465546.db2.gz CXNSRKLNMLRMEQ-AEJSXWLSSA-N 0 0 191.230 1.060 10 0 ADAERN C[C@@H]1Cc2cc(C=O)ccc2C(=O)N1 238404783 573465573 /nfs/dbraw/zinc/46/55/73/573465573.db2.gz SKIBHKHHTDXIMX-SSDOTTSWSA-N 0 0 189.214 1.174 10 0 ADAERN CN1N=CC(=O)C1c1cccc(F)c1 257820645 573465577 /nfs/dbraw/zinc/46/55/77/573465577.db2.gz FTMFHUGWEIYKFE-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CC1(C)CN[C@](C)(c2ccccn2)O1 258394780 573465586 /nfs/dbraw/zinc/46/55/86/573465586.db2.gz IBAXMRSTJKKBAK-NSHDSACASA-N 0 0 192.262 1.653 10 0 ADAERN COC(=O)Cc1cc2c[nH]ccc-2n1 259461425 573465602 /nfs/dbraw/zinc/46/56/02/573465602.db2.gz ADESYYJPRXONHT-UHFFFAOYSA-N 0 0 190.202 1.278 10 0 ADAERN C[C@@H]1C=C[C@@H]2[C@@H]1C[C@@]2(C[NH3+])CC(=O)[O-] 238404061 573465603 /nfs/dbraw/zinc/46/56/03/573465603.db2.gz JEGCIQJGSPQSMM-CDLYGTGVSA-N 0 0 195.262 1.248 10 0 ADAERN NOCCc1cccc2c1COCC2 258036170 573465614 /nfs/dbraw/zinc/46/56/14/573465614.db2.gz JMDFDOVBTCEAJW-UHFFFAOYSA-N 0 0 193.246 1.192 10 0 ADAERN CSC(=O)[C@@H](C)C(=O)C(C)C 238404808 573465616 /nfs/dbraw/zinc/46/56/16/573465616.db2.gz AHGCVFYXDXBMHZ-LURJTMIESA-N 0 0 174.265 1.737 10 0 ADAERN C[C@]1(CO)Oc2ccc(F)cc2O1 258401464 573465631 /nfs/dbraw/zinc/46/56/31/573465631.db2.gz ZBRRXFAMSAYJJU-VIFPVBQESA-N 0 0 184.166 1.305 10 0 ADAERN CC[C@](C)(CO)CNc1cccnn1 308592813 573465659 /nfs/dbraw/zinc/46/56/59/573465659.db2.gz LBNRRFQDMPNLRN-JTQLQIEISA-N 0 0 195.266 1.297 10 0 ADAERN OCc1cnoc1-c1ccccc1O 258393197 573465686 /nfs/dbraw/zinc/46/56/86/573465686.db2.gz BGEPSBZZWKKENN-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN COC(=O)C/C=C\C1CCOCC1 258037375 573465695 /nfs/dbraw/zinc/46/56/95/573465695.db2.gz CISQUQCLMLFZGL-IHWYPQMZSA-N 0 0 184.235 1.532 10 0 ADAERN C[C@@H]1COc2c(CO)cccc2N1 258393241 573465697 /nfs/dbraw/zinc/46/56/97/573465697.db2.gz BIJYYOXOULONPS-SSDOTTSWSA-N 0 0 179.219 1.372 10 0 ADAERN Cn1ncc(C2CCC2)c1N 257815500 573465700 /nfs/dbraw/zinc/46/57/00/573465700.db2.gz BHHSWQUUTPZVGQ-UHFFFAOYSA-N 0 0 151.213 1.270 10 0 ADAERN O=Cc1cc([C@H]2CCCS2)[nH]n1 258396904 573465704 /nfs/dbraw/zinc/46/57/04/573465704.db2.gz BPTRKCRTCHAPEH-MRVPVSSYSA-N 0 0 182.248 1.790 10 0 ADAERN OC[C@H]1CC[C@H]1c1ccc(O)cc1 257815783 573465706 /nfs/dbraw/zinc/46/57/06/573465706.db2.gz CYEULIMBISNSOQ-KOLCDFICSA-N 0 0 178.231 1.878 10 0 ADAERN Cc1cnccc1C(N)=S 83339564 573465713 /nfs/dbraw/zinc/46/57/13/573465713.db2.gz JYCGREAHQOKSHA-UHFFFAOYSA-N 0 0 152.222 1.024 10 0 ADAERN CN1CCC(=O)[C@@H]1c1ccc(N)cc1 257820662 573465724 /nfs/dbraw/zinc/46/57/24/573465724.db2.gz FUEOGWWBWPBWGA-NSHDSACASA-N 0 0 190.246 1.215 10 0 ADAERN COCc1cc(CNO)ccc1F 258036062 573465726 /nfs/dbraw/zinc/46/57/26/573465726.db2.gz JJVLJWSQQFKZMH-UHFFFAOYSA-N 0 0 185.198 1.451 10 0 ADAERN O=C1[C@@H]2C[C@@H]2[C@@H]2CCc3ccccc3N12 257816053 573465732 /nfs/dbraw/zinc/46/57/32/573465732.db2.gz BUDNUPRESCEWLH-UMNHJUIQSA-N 0 0 199.253 1.984 10 0 ADAERN COCCc1ncc2n1[C@@H](C)CCC2 258393662 573465745 /nfs/dbraw/zinc/46/57/45/573465745.db2.gz ULKZXLYOWMCVHS-VIFPVBQESA-N 0 0 194.278 1.969 10 0 ADAERN C[C@@H]1Nc2cccc(O)c2SC1=O 258393219 573465754 /nfs/dbraw/zinc/46/57/54/573465754.db2.gz BHGRIQNLOCATAI-YFKPBYRVSA-N 0 0 195.243 1.825 10 0 ADAERN CCOC(=O)[C@@H](O)c1c[nH]c(C)c1C 259461333 573465758 /nfs/dbraw/zinc/46/57/58/573465758.db2.gz ABEHDLLWYXFEBO-VIFPVBQESA-N 0 0 197.234 1.228 10 0 ADAERN C[C@H]1C(=O)[C@H](C)[C@H](C)C=C[C@@H]1O 238404695 573465770 /nfs/dbraw/zinc/46/57/70/573465770.db2.gz KKFRVKBEBSKLTD-BGZDPUMWSA-N 0 0 168.236 1.395 10 0 ADAERN OC[C@H]1CCCc2cccc(O)c21 257815517 573465787 /nfs/dbraw/zinc/46/57/87/573465787.db2.gz CVUQFNSPSNVVNO-SECBINFHSA-N 0 0 178.231 1.804 10 0 ADAERN CC(C)C[C@@H](O)Cc1cnn(C)c1 50542044 573465797 /nfs/dbraw/zinc/46/57/97/573465797.db2.gz XNLGBIVPMCEITG-SNVBAGLBSA-N 0 0 182.267 1.370 10 0 ADAERN Cn1cnc(COc2cccnc2)c1 258034783 573465814 /nfs/dbraw/zinc/46/58/14/573465814.db2.gz DXVTVBBTIBGFJF-UHFFFAOYSA-N 0 0 189.218 1.394 10 0 ADAERN C[C@H]1C=C[C@@H](C)[C@@H](C)[C@@H]1C(N)=O 238404450 573465819 /nfs/dbraw/zinc/46/58/19/573465819.db2.gz RTMMYAIKMXBEOO-BZNPZCIMSA-N 0 0 167.252 1.566 10 0 ADAERN COC(=O)c1cnc2noc(C)c2c1 259464173 573465830 /nfs/dbraw/zinc/46/58/30/573465830.db2.gz ANZHUAMURXYLGM-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN COCCc1ncc2n1[C@H](C)CCC2 258393659 573465843 /nfs/dbraw/zinc/46/58/43/573465843.db2.gz ULKZXLYOWMCVHS-SECBINFHSA-N 0 0 194.278 1.969 10 0 ADAERN Cc1ccc(NC(=O)NC[C@H](C)O)o1 258388382 573465855 /nfs/dbraw/zinc/46/58/55/573465855.db2.gz HRHWGXMYOAWXCD-LURJTMIESA-N 0 0 198.222 1.090 10 0 ADAERN CSC[C@H](CO)C1CC1 258390180 573465863 /nfs/dbraw/zinc/46/58/63/573465863.db2.gz UGMXXTBOCUZGBB-ZETCQYMHSA-N 0 0 146.255 1.368 10 0 ADAERN OCc1c(F)cc2cc[nH]c2c1F 258035969 573465866 /nfs/dbraw/zinc/46/58/66/573465866.db2.gz JHNBGXCCPPVTLW-UHFFFAOYSA-N 0 0 183.157 1.938 10 0 ADAERN C[C@H]1C[NH2+][C@@H](c2ccccc2)OC1 258358200 573465870 /nfs/dbraw/zinc/46/58/70/573465870.db2.gz GEVIXOIPZHAHJY-GXSJLCMTSA-N 0 0 177.247 1.941 10 0 ADAERN CC(C)[C@H](CO)Cc1cc[nH]c1 259463766 573465913 /nfs/dbraw/zinc/46/59/13/573465913.db2.gz RGHJIDRCNZPHOE-JTQLQIEISA-N 0 0 167.252 1.822 10 0 ADAERN CC(C)(O)c1ccc(CCCO)cc1 259462296 573465918 /nfs/dbraw/zinc/46/59/18/573465918.db2.gz NLHGCTBRALQETP-UHFFFAOYSA-N 0 0 194.274 1.839 10 0 ADAERN COC[C@@H]1COc2cc(O)ccc2C1 257815566 573465922 /nfs/dbraw/zinc/46/59/22/573465922.db2.gz CYUTYBQEFDYBSV-MRVPVSSYSA-N 0 0 194.230 1.590 10 0 ADAERN CCNc1nc(CC)nc2c1CNC2 257820678 573465947 /nfs/dbraw/zinc/46/59/47/573465947.db2.gz FVASRKOZPAVYFN-UHFFFAOYSA-N 0 0 192.266 1.074 10 0 ADAERN CO[C@H](CO)c1ccc2c(c1)OCO2 238405331 573465999 /nfs/dbraw/zinc/46/59/99/573465999.db2.gz AUUSJZKVLVNYSO-SNVBAGLBSA-N 0 0 196.202 1.095 10 0 ADAERN C[C@]1(c2cccc(F)c2)CCC(=O)N1 257815986 573466004 /nfs/dbraw/zinc/46/60/04/573466004.db2.gz DFHITOBPPGZOLN-LLVKDONJSA-N 0 0 193.221 1.951 10 0 ADAERN CCOC(=O)[C@H]1CCc2nn(C)cc21 259461448 573466013 /nfs/dbraw/zinc/46/60/13/573466013.db2.gz ADWJBTPRDAMACE-ZETCQYMHSA-N 0 0 194.234 1.013 10 0 ADAERN CSC(=O)S[C@@H]1CC(=O)N1 238404691 573466029 /nfs/dbraw/zinc/46/60/29/573466029.db2.gz IPKZDMZBPFTXFU-SCSAIBSYSA-N 0 0 177.250 1.049 10 0 ADAERN CONCc1cccc2c(C)noc12 258036225 573466032 /nfs/dbraw/zinc/46/60/32/573466032.db2.gz JNDBHAQVWPKOLS-UHFFFAOYSA-N 0 0 192.218 1.787 10 0 ADAERN C[C@@H]1Cc2cc(O)ccc2O[C@@H]1O 238405532 573466048 /nfs/dbraw/zinc/46/60/48/573466048.db2.gz PUOHEVQWNCBHTK-LDWIPMOCSA-N 0 0 180.203 1.282 10 0 ADAERN CCC(CC)[C@@H](O)COC 86519387 573466060 /nfs/dbraw/zinc/46/60/60/573466060.db2.gz DVOSQMYTKXWSGD-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN C[C@]1(c2ccccc2F)CNC(=O)N1 257820683 573466962 /nfs/dbraw/zinc/46/69/62/573466962.db2.gz FVDSEYHTAIXDMG-SNVBAGLBSA-N 0 0 194.209 1.354 10 0 ADAERN COC(=O)c1cc2cc[nH]c2o1 259461275 573466075 /nfs/dbraw/zinc/46/60/75/573466075.db2.gz AAMLUTSJIYDEGM-UHFFFAOYSA-N 0 0 165.148 1.548 10 0 ADAERN CO[C@H](CO)CCC(C)C 238404189 573466120 /nfs/dbraw/zinc/46/61/20/573466120.db2.gz CUWXOTOHTIDNJH-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN CCOC(=O)[C@H](F)C(C)(C)C 107274014 573466127 /nfs/dbraw/zinc/46/61/27/573466127.db2.gz RSHZTMOYCHZXKV-LURJTMIESA-N 0 0 162.204 1.934 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](C)c2ccncc21 238404784 573466136 /nfs/dbraw/zinc/46/61/36/573466136.db2.gz DILOJEQWDDEHEA-SFYZADRCSA-N 0 0 162.236 1.849 10 0 ADAERN C[C@@H]1OC(=O)[C@H](O)[C@@H]1c1ccccc1 238405522 573466150 /nfs/dbraw/zinc/46/61/50/573466150.db2.gz CSRRMMKZVSSXBC-UJNFCWOMSA-N 0 0 192.214 1.076 10 0 ADAERN CC(C)C[C@H](C)NN1CCOCC1 214440366 573466159 /nfs/dbraw/zinc/46/61/59/573466159.db2.gz ZODNDPJMHSCVML-JTQLQIEISA-N 0 0 186.299 1.258 10 0 ADAERN Nc1noc(C2CC2)c1Cl 86517329 573466163 /nfs/dbraw/zinc/46/61/63/573466163.db2.gz STNAPDKTPVAVJO-UHFFFAOYSA-N 0 0 158.588 1.788 10 0 ADAERN CC(C)[C@@]12CCC(=O)O[C@@H]1C2 213990373 573466167 /nfs/dbraw/zinc/46/61/67/573466167.db2.gz FSRKCWMBLJBFIS-APPZFPTMSA-N 0 0 154.209 1.738 10 0 ADAERN C[C@@H]1CC=C2CC(=O)[C@@]1(C)C2=O 238404856 573466182 /nfs/dbraw/zinc/46/61/82/573466182.db2.gz MOWUSRXARVINMJ-FWWHASMVSA-N 0 0 164.204 1.357 10 0 ADAERN C[C@H](O)c1cc2c(O)cccc2n1C 258035672 573466220 /nfs/dbraw/zinc/46/62/20/573466220.db2.gz ZNEOOZLKUCTXDS-ZETCQYMHSA-N 0 0 191.230 1.937 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)c1ccsc1 689956697 573466228 /nfs/dbraw/zinc/46/62/28/573466228.db2.gz PGSJISYWOJRVFU-IWSPIJDZSA-N 0 0 184.260 1.816 10 0 ADAERN OCc1cnoc1Cc1ccco1 258393235 573466232 /nfs/dbraw/zinc/46/62/32/573466232.db2.gz BHYCNCCONMHYGW-UHFFFAOYSA-N 0 0 179.175 1.351 10 0 ADAERN CCCC[C@H](NN)c1cnns1 130090616 573466241 /nfs/dbraw/zinc/46/62/41/573466241.db2.gz VHPCRSWJKZZACP-LURJTMIESA-N 0 0 186.284 1.233 10 0 ADAERN COC(=O)C1(c2c(C)n[nH]c2C)CC1 259461340 573466265 /nfs/dbraw/zinc/46/62/65/573466265.db2.gz ABJKLUDOQAIEDY-UHFFFAOYSA-N 0 0 194.234 1.231 10 0 ADAERN COc1cccc2cc(C)[nH]c(=O)c12 238404309 573466297 /nfs/dbraw/zinc/46/62/97/573466297.db2.gz ZKJKTEMJENNRRW-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN Cc1c(O)cccc1-c1cnoc1N 258036109 573466300 /nfs/dbraw/zinc/46/63/00/573466300.db2.gz JLGDJYPMDFMOBN-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CN1CCC(=O)[C@H]1c1ccccc1N 257815946 573466317 /nfs/dbraw/zinc/46/63/17/573466317.db2.gz DDJMTOWWDJQCCN-LLVKDONJSA-N 0 0 190.246 1.215 10 0 ADAERN COc1c(C(F)F)c[nH]c(=O)c1F 238404107 573466319 /nfs/dbraw/zinc/46/63/19/573466319.db2.gz RAFLFFGGZUOAGH-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN NOCc1c(F)ccc(F)c1F 258035321 573466329 /nfs/dbraw/zinc/46/63/29/573466329.db2.gz PPTXFKLSJHRVTR-UHFFFAOYSA-N 0 0 177.125 1.494 10 0 ADAERN COC[C@@H](F)c1ccc(N)cc1 107277369 573466337 /nfs/dbraw/zinc/46/63/37/573466337.db2.gz VNDNEURRXOQVNN-SECBINFHSA-N 0 0 169.199 1.926 10 0 ADAERN O=CN1CCCC[C@@H]1[C@H]1CCCC1=O 86499966 573466343 /nfs/dbraw/zinc/46/63/43/573466343.db2.gz SKJMPPHFDJECRU-NXEZZACHSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@H]1CN(C(=O)C(F)F)CCS1 235607677 573466977 /nfs/dbraw/zinc/46/69/77/573466977.db2.gz GWYGZVUGSGQFJT-YFKPBYRVSA-N 0 0 195.234 1.215 10 0 ADAERN CN(C#N)c1ncc(C2CCC2)cn1 259460641 573466401 /nfs/dbraw/zinc/46/64/01/573466401.db2.gz NHYZUMFLKQEADU-UHFFFAOYSA-N 0 0 188.234 1.661 10 0 ADAERN C[C@@H]1Cc2cc(C(N)=O)ccc2N1 238404436 573466402 /nfs/dbraw/zinc/46/64/02/573466402.db2.gz JOTFZVHTEZMUIT-ZCFIWIBFSA-N 0 0 176.219 1.142 10 0 ADAERN COC(=O)c1cnnc(C2CCC2)c1 259461328 573466420 /nfs/dbraw/zinc/46/64/20/573466420.db2.gz ABCSOBRAGYNTHM-UHFFFAOYSA-N 0 0 192.218 1.531 10 0 ADAERN CCc1ncc([C@@H](C)CO)s1 258400419 573466434 /nfs/dbraw/zinc/46/64/34/573466434.db2.gz BZRCSTQXLVBYBQ-LURJTMIESA-N 0 0 171.265 1.801 10 0 ADAERN COC[C@@]1(O)CCC[C@H](C)C1 86518153 573466439 /nfs/dbraw/zinc/46/64/39/573466439.db2.gz MMWGBIICIKBSLY-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CCn1c(CO)cc2c(O)cccc21 258035734 573466441 /nfs/dbraw/zinc/46/64/41/573466441.db2.gz ZNULWPLDWOPHRP-UHFFFAOYSA-N 0 0 191.230 1.859 10 0 ADAERN COC[C@@H](F)c1ccccc1N 107278244 573466460 /nfs/dbraw/zinc/46/64/60/573466460.db2.gz CUGUMRBXEYRXAB-MRVPVSSYSA-N 0 0 169.199 1.926 10 0 ADAERN CCOC[C@@]1(O)CCc2ccccc21 86518354 573466462 /nfs/dbraw/zinc/46/64/62/573466462.db2.gz BDTPLDIBXLYODZ-LBPRGKRZSA-N 0 0 192.258 1.857 10 0 ADAERN CO[C@H](CO)C1=C(C)CCCC1 238404150 573466468 /nfs/dbraw/zinc/46/64/68/573466468.db2.gz IZGDWCLTIQOXRY-SNVBAGLBSA-N 0 0 170.252 1.884 10 0 ADAERN Nc1cc(O)ccc1[C@@H](O)C1CCC1 257815601 573466471 /nfs/dbraw/zinc/46/64/71/573466471.db2.gz DAJFQWDECPTBFK-NSHDSACASA-N 0 0 193.246 1.808 10 0 ADAERN CSC(=O)[C@@H]1CCCC[C@@H]1O 238405026 573466475 /nfs/dbraw/zinc/46/64/75/573466475.db2.gz YTJOZXPACKWNKA-RQJHMYQMSA-N 0 0 174.265 1.427 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C(C)(C)C 107273912 573466512 /nfs/dbraw/zinc/46/65/12/573466512.db2.gz VKEINYDOFUJQQR-JGVFFNPUSA-N 0 0 185.267 1.437 10 0 ADAERN COc1cc(C[NH3+])ncc1C1CC1 238404741 573466517 /nfs/dbraw/zinc/46/65/17/573466517.db2.gz RASCQPMULTUVOK-UHFFFAOYSA-N 0 0 178.235 1.426 10 0 ADAERN CC(=O)NCC(C)(C)c1cc[nH]c1 258662172 573466522 /nfs/dbraw/zinc/46/65/22/573466522.db2.gz BVJHBWBJIQSZBJ-UHFFFAOYSA-N 0 0 180.251 1.428 10 0 ADAERN Cc1nn(C)c2nc(Cl)c(N)cc12 257816013 573466523 /nfs/dbraw/zinc/46/65/23/573466523.db2.gz DHCOALDTUBYSFP-UHFFFAOYSA-N 0 0 196.641 1.512 10 0 ADAERN CCOC[C@@](C)(O)C(C)C 86518584 573466533 /nfs/dbraw/zinc/46/65/33/573466533.db2.gz KFGJZYGLKOERDT-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN COc1cccc([C@@H]2CCCC2=O)n1 238404072 573466534 /nfs/dbraw/zinc/46/65/34/573466534.db2.gz UKCIDCYOXNMAPM-QMMMGPOBSA-N 0 0 191.230 1.927 10 0 ADAERN COCC1(O)CCCCC1 86518092 573466550 /nfs/dbraw/zinc/46/65/50/573466550.db2.gz YPDBMSQFWHIZJO-UHFFFAOYSA-N 0 0 144.214 1.328 10 0 ADAERN C[C@@H]1Cc2ccc(CCO)n2C1 238406223 573466553 /nfs/dbraw/zinc/46/65/53/573466553.db2.gz QUSSEZSCYFHLEO-MRVPVSSYSA-N 0 0 165.236 1.215 10 0 ADAERN Cc1nc2c(o1)[C@H](C)CNC2 238404106 573466561 /nfs/dbraw/zinc/46/65/61/573466561.db2.gz IWEDNFRJZOGXMP-RXMQYKEDSA-N 0 0 152.197 1.190 10 0 ADAERN CCOCC1(O)CCCC1 86518313 573466565 /nfs/dbraw/zinc/46/65/65/573466565.db2.gz IRXQTRRXZJTAOQ-UHFFFAOYSA-N 0 0 144.214 1.328 10 0 ADAERN Nc1noc(-c2cc[nH]n2)c1Cl 86517476 573466571 /nfs/dbraw/zinc/46/65/71/573466571.db2.gz RRYPAEPYRJVTOT-UHFFFAOYSA-N 0 0 184.586 1.300 10 0 ADAERN COC[C@@H](O)c1ccc(C)o1 86519095 573466597 /nfs/dbraw/zinc/46/65/97/573466597.db2.gz XTJYXQZYNLFYNY-SSDOTTSWSA-N 0 0 156.181 1.268 10 0 ADAERN Cc1ccc(C=O)cc1N(C)C 259461951 573466600 /nfs/dbraw/zinc/46/66/00/573466600.db2.gz MZQQYRVJVXKXCF-UHFFFAOYSA-N 0 0 163.220 1.874 10 0 ADAERN COC[C@H](F)c1ccccc1N 107278240 573466605 /nfs/dbraw/zinc/46/66/05/573466605.db2.gz CUGUMRBXEYRXAB-QMMMGPOBSA-N 0 0 169.199 1.926 10 0 ADAERN COc1c(C(F)F)ncc(O)c1F 238404089 573466621 /nfs/dbraw/zinc/46/66/21/573466621.db2.gz GJHDQDXSOVBRRM-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CCOCC(O)(CC)CC 86518577 573466649 /nfs/dbraw/zinc/46/66/49/573466649.db2.gz WTKAEXCRUJIHSL-UHFFFAOYSA-N 0 0 146.230 1.574 10 0 ADAERN COC(=O)C1(C(C)=O)CC(C)(C)C1 86501956 573466672 /nfs/dbraw/zinc/46/66/72/573466672.db2.gz RBNNESHNQDHYOU-UHFFFAOYSA-N 0 0 184.235 1.555 10 0 ADAERN CCOC(=O)c1cnoc1C(C)=O 259461240 573466677 /nfs/dbraw/zinc/46/66/77/573466677.db2.gz AAAARHMSQVQJNN-UHFFFAOYSA-N 0 0 183.163 1.054 10 0 ADAERN Cc1cc(F)c(CON)cc1F 258035233 573466692 /nfs/dbraw/zinc/46/66/92/573466692.db2.gz PPMKGVKEWBDXFT-UHFFFAOYSA-N 0 0 173.162 1.664 10 0 ADAERN CN1CCC(=O)[C@@H]1c1ccccc1N 257815947 573466696 /nfs/dbraw/zinc/46/66/96/573466696.db2.gz DDJMTOWWDJQCCN-NSHDSACASA-N 0 0 190.246 1.215 10 0 ADAERN CCc1cnc(F)s1 142690798 573466723 /nfs/dbraw/zinc/46/67/23/573466723.db2.gz CSWGDYLREXHJCB-UHFFFAOYSA-N 0 0 131.175 1.845 10 0 ADAERN COC(=O)CC[C@@H]1CCSC1 259464151 573466733 /nfs/dbraw/zinc/46/67/33/573466733.db2.gz ANJTXFHBXAEUHP-SSDOTTSWSA-N 0 0 174.265 1.693 10 0 ADAERN CO[C@@]1(CO)CCc2ccccc2C1 257815985 573466758 /nfs/dbraw/zinc/46/67/58/573466758.db2.gz DFAAXFWMMHFRRM-LBPRGKRZSA-N 0 0 192.258 1.553 10 0 ADAERN [NH3+]C[C@H]1[C@H](c2ccccc2)[C@H]1C(=O)[O-] 257815535 573466776 /nfs/dbraw/zinc/46/67/76/573466776.db2.gz CXNSRKLNMLRMEQ-GUBZILKMSA-N 0 0 191.230 1.060 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/nfs/dbraw/zinc/47/65/14/573476514.db2.gz PKBMOPCEXDKPPY-LDYMZIIASA-N 0 0 192.262 1.671 10 0 ADAERN CN[C@@H](C)c1nncc(C2CC2)n1 257818449 573476519 /nfs/dbraw/zinc/47/65/19/573476519.db2.gz DZGLFYYPBHFDBB-LURJTMIESA-N 0 0 178.239 1.029 10 0 ADAERN CC(C)c1nccc(CCO)n1 107287883 573479047 /nfs/dbraw/zinc/47/90/47/573479047.db2.gz MVNXQCDOWKFXHL-UHFFFAOYSA-N 0 0 166.224 1.135 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@H]([NH3+])C1CCC1 259466371 573479087 /nfs/dbraw/zinc/47/90/87/573479087.db2.gz OXVCIBVTIMGWDC-RKDXNWHRSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@H](O)[C@H](F)C[C@H]1CCCOC1 257820901 573476532 /nfs/dbraw/zinc/47/65/32/573476532.db2.gz FUGYYPRRQZJEBN-DJLDLDEBSA-N 0 0 176.231 1.522 10 0 ADAERN C[C@H]1CCC[C@@]1(C(=O)[O-])[NH+](C)C 83395899 573476535 /nfs/dbraw/zinc/47/65/35/573476535.db2.gz MNVJRERBRXOFOM-IONNQARKSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1cc(C=O)c([C@@H]([NH3+])CO)cc1C 258045221 573476539 /nfs/dbraw/zinc/47/65/39/573476539.db2.gz KDQQSLPKXCEIDR-NSHDSACASA-N 0 0 193.246 1.108 10 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238412491 573475917 /nfs/dbraw/zinc/47/59/17/573475917.db2.gz UCNVOINPMLZMOV-PRJMDXOYSA-N 0 0 153.225 1.311 10 0 ADAERN COC(=O)C[C@@H](C)c1nccn1C 259466860 573477337 /nfs/dbraw/zinc/47/73/37/573477337.db2.gz AUGFIWDRMXXTFM-SSDOTTSWSA-N 0 0 182.223 1.087 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)c1ccsn1 689959335 573476029 /nfs/dbraw/zinc/47/60/29/573476029.db2.gz VPATUHFYWLYLAK-NJUXHZRNSA-N 0 0 185.248 1.211 10 0 ADAERN CC(=O)Cc1ccc2c(c1F)OCO2 258045195 573476043 /nfs/dbraw/zinc/47/60/43/573476043.db2.gz KCYYFPQVOHLWQD-UHFFFAOYSA-N 0 0 196.177 1.686 10 0 ADAERN CCC[C@H](C)N1CN[C@@H](CC)C1=O 138481441 573476049 /nfs/dbraw/zinc/47/60/49/573476049.db2.gz VBVFYKFEPKAWQQ-IUCAKERBSA-N 0 0 184.283 1.343 10 0 ADAERN [NH3+][C@H](c1cccs1)[C@H]1C[C@H]1C(=O)[O-] 259467326 573476068 /nfs/dbraw/zinc/47/60/68/573476068.db2.gz RJRKYWLGDPKJOY-BBVRLYRLSA-N 0 0 197.259 1.469 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@@H]1CCCOC1 257820900 573476117 /nfs/dbraw/zinc/47/61/17/573476117.db2.gz FUGYYPRRQZJEBN-CIUDSAMLSA-N 0 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OAGFTNHMUMWIDM-ZETCQYMHSA-N 0 0 195.291 1.354 10 0 ADAERN Cn1nc(N)c2c1CN(C(C)(C)C)C2 257818261 573476248 /nfs/dbraw/zinc/47/62/48/573476248.db2.gz FAGOXBMHMUMZIC-UHFFFAOYSA-N 0 0 194.282 1.116 10 0 ADAERN Cc1cc(O)cc2cc(N)cnc12 259467137 573476253 /nfs/dbraw/zinc/47/62/53/573476253.db2.gz NJQJRRHVDWTXGO-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1nnn[n-]1 83391005 573476262 /nfs/dbraw/zinc/47/62/62/573476262.db2.gz OPZCIQGXWRTBOY-FXQIFTODSA-N 0 0 195.270 1.039 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1csc(Cl)c1 75086656 573476264 /nfs/dbraw/zinc/47/62/64/573476264.db2.gz IMDORJHIDLCZLL-YFKPBYRVSA-N 0 0 191.639 1.486 10 0 ADAERN COC(=O)C[C@@H]1C[C@@H](C)CC[C@H]1O 259466719 573476265 /nfs/dbraw/zinc/47/62/65/573476265.db2.gz ASZWVMZYBBTTSA-XHNCKOQMSA-N 0 0 186.251 1.347 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1csc(Cl)c1 75086659 573476269 /nfs/dbraw/zinc/47/62/69/573476269.db2.gz IMDORJHIDLCZLL-RXMQYKEDSA-N 0 0 191.639 1.486 10 0 ADAERN COC(=O)N(C)c1ccc(C)o1 258668427 573476290 /nfs/dbraw/zinc/47/62/90/573476290.db2.gz CEEBGPUIHLBNEC-UHFFFAOYSA-N 0 0 169.180 1.791 10 0 ADAERN Cn1nnc(C2CCCC2)c1C=O 257820886 573476297 /nfs/dbraw/zinc/47/62/97/573476297.db2.gz FTRUANXNPOTKTM-UHFFFAOYSA-N 0 0 179.223 1.285 10 0 ADAERN CCOC(=O)C[C@H]1CCc2oncc21 259466903 573476311 /nfs/dbraw/zinc/47/63/11/573476311.db2.gz AVPNWUKBSUGCHH-SSDOTTSWSA-N 0 0 195.218 1.658 10 0 ADAERN C[NH2+]CC(=O)c1ccc(C)c(F)c1O 258045114 573476313 /nfs/dbraw/zinc/47/63/13/573476313.db2.gz KBCPQSFHRINNCQ-UHFFFAOYSA-N 0 0 197.209 1.242 10 0 ADAERN CCCC[N@@H+]1CC[C@](C)(CC(=O)[O-])C1 259469042 573476321 /nfs/dbraw/zinc/47/63/21/573476321.db2.gz QQKQEJPGCKZHOZ-LLVKDONJSA-N 0 0 199.294 1.973 10 0 ADAERN CSc1cc(CF)nc(C)n1 257818483 573476324 /nfs/dbraw/zinc/47/63/24/573476324.db2.gz DZZHXKQJUHSIKN-UHFFFAOYSA-N 0 0 172.228 1.976 10 0 ADAERN CC(=O)Oc1cc(C)cc(O)c1 141941471 573476328 /nfs/dbraw/zinc/47/63/28/573476328.db2.gz WNNFOAQKFKIJQP-UHFFFAOYSA-N 0 0 166.176 1.626 10 0 ADAERN C[C@@H]1COc2cc(O)c(C=O)cc21 238413366 573476331 /nfs/dbraw/zinc/47/63/31/573476331.db2.gz WUSANDAGIDUVFY-ZCFIWIBFSA-N 0 0 178.187 1.701 10 0 ADAERN Cc1cc(CCON)c(C)c(C)c1O 259464468 573476333 /nfs/dbraw/zinc/47/63/33/573476333.db2.gz NPRCRMPTONUTGD-UHFFFAOYSA-N 0 0 195.262 1.750 10 0 ADAERN CC[NH2+]CCC[P@@](=O)([O-])OCC 238235553 573476336 /nfs/dbraw/zinc/47/63/36/573476336.db2.gz ZRILKLRQPZFDEL-UHFFFAOYSA-N 0 0 195.199 1.208 10 0 ADAERN C[C@@H]1CSC(=S)NC1=S 238414065 573476347 /nfs/dbraw/zinc/47/63/47/573476347.db2.gz OMQLNMQJPDUTLL-GSVOUGTGSA-N 0 0 177.319 1.571 10 0 ADAERN COCc1cc(CON)cc(OC)c1 258045204 573476358 /nfs/dbraw/zinc/47/63/58/573476358.db2.gz KDKHHQKQRIXATE-UHFFFAOYSA-N 0 0 197.234 1.232 10 0 ADAERN CC(C)OC[C@H]1CCC[C@H]1O 86527487 573476359 /nfs/dbraw/zinc/47/63/59/573476359.db2.gz KACZTVINKSSNNU-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN CCn1cc([C@]2(O)CCC[C@H]2C)cn1 83395513 573476376 /nfs/dbraw/zinc/47/63/76/573476376.db2.gz CJPXGBVAQUQDBA-KOLCDFICSA-N 0 0 194.278 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187.202 1.579 10 0 ADAERN CC(C)c1nc2n(n1)C[C@H](C)CC2 258667449 573477396 /nfs/dbraw/zinc/47/73/96/573477396.db2.gz XJJXYJLAXFUSMC-MRVPVSSYSA-N 0 0 179.267 1.984 10 0 ADAERN C[C@@H]1CC[C@]2(C)[NH2+]CCN2C1 238413802 573476608 /nfs/dbraw/zinc/47/66/08/573476608.db2.gz HCUOOWTWUFAYOR-RKDXNWHRSA-N 0 0 154.257 1.038 10 0 ADAERN CCOC[C@H]1CC[C@H](O)C1 86529263 573476624 /nfs/dbraw/zinc/47/66/24/573476624.db2.gz ORNWBXSAUXKSGZ-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CCO[C@@H]1CCC[C@H]1CC(=O)OC 259466755 573476631 /nfs/dbraw/zinc/47/66/31/573476631.db2.gz ATHCRRJZNZJFJE-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)c1cc(Cl)n2c1CCC2 211834583 573476640 /nfs/dbraw/zinc/47/66/40/573476640.db2.gz KHOSKNHYRRYTMC-UHFFFAOYSA-N 0 0 199.637 1.874 10 0 ADAERN C[C@@H]1CCC[C@@]1(O)c1ccnn1C 83395698 573476651 /nfs/dbraw/zinc/47/66/51/573476651.db2.gz LELBLMYWFMGRGD-SCZZXKLOSA-N 0 0 180.251 1.428 10 0 ADAERN CN[C@H](c1cc[nH]c1)C(F)(F)F 259100857 573476653 /nfs/dbraw/zinc/47/66/53/573476653.db2.gz 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/nfs/dbraw/zinc/47/80/02/573478002.db2.gz ZQBIUIOLAAXXCJ-DVVUODLYSA-N 0 0 198.262 1.467 10 0 ADAERN CCCNC(=O)N(O)C(C)(C)C 238237806 573478006 /nfs/dbraw/zinc/47/80/06/573478006.db2.gz OYAMKSVOKQEGPK-UHFFFAOYSA-N 0 0 174.244 1.596 10 0 ADAERN C[C@@H]1CCC[C@]1(O)c1cncnc1 83395145 573478032 /nfs/dbraw/zinc/47/80/32/573478032.db2.gz MFGAMDOJEALUMD-PSASIEDQSA-N 0 0 178.235 1.484 10 0 ADAERN CCOC(=O)c1onc2nc(C)oc12 259466746 573478043 /nfs/dbraw/zinc/47/80/43/573478043.db2.gz ATGCILWOWRPWSQ-UHFFFAOYSA-N 0 0 196.162 1.301 10 0 ADAERN C[C@@H]1CSC(C)(C)CNC1=O 238414207 573478053 /nfs/dbraw/zinc/47/80/53/573478053.db2.gz WXAGCDMZXVNKFJ-ZCFIWIBFSA-N 0 0 173.281 1.264 10 0 ADAERN CONCc1ccnc2ccccc12 75086506 573478056 /nfs/dbraw/zinc/47/80/56/573478056.db2.gz WUOMHLMNCPCJQT-UHFFFAOYSA-N 0 0 188.230 1.886 10 0 ADAERN C[C@@H]1CC[C@]2(CCC[C@@H]2O)C1=O 238414218 573478097 /nfs/dbraw/zinc/47/80/97/573478097.db2.gz BDHVCHWWVJMSOY-WEDXCCLWSA-N 0 0 168.236 1.517 10 0 ADAERN Cc1cc(C)c(CCO)c(O)c1C 259466575 573478107 /nfs/dbraw/zinc/47/81/07/573478107.db2.gz NTOMZECZVPKADS-UHFFFAOYSA-N 0 0 180.247 1.852 10 0 ADAERN C[C@@H]1CCC[C@]1(O)c1cnn(C)c1 83395247 573478117 /nfs/dbraw/zinc/47/81/17/573478117.db2.gz ZFFZSLNVBJFSDE-PSASIEDQSA-N 0 0 180.251 1.428 10 0 ADAERN O=C1CCC[C@H]1CCN1CCOC1=O 86530758 573478123 /nfs/dbraw/zinc/47/81/23/573478123.db2.gz TUWYHBMAJPINLF-QMMMGPOBSA-N 0 0 197.234 1.198 10 0 ADAERN COc1cncc([C@H]2CCC(=O)C2)c1 124455299 573478138 /nfs/dbraw/zinc/47/81/38/573478138.db2.gz BHZFWDCIOKUYED-QMMMGPOBSA-N 0 0 191.230 1.927 10 0 ADAERN C[C@@H]1CCC[C@@]1(O)c1cnccn1 83395434 573478144 /nfs/dbraw/zinc/47/81/44/573478144.db2.gz XBXYRWKMUJHRDH-SCZZXKLOSA-N 0 0 178.235 1.484 10 0 ADAERN CNCC(F)(F)[C@@H]1CCCSC1 257818306 573478159 /nfs/dbraw/zinc/47/81/59/573478159.db2.gz FCBLQSCLUAWGBJ-SSDOTTSWSA-N 0 0 195.278 1.984 10 0 ADAERN CCCOC[C@H]1CC[C@@H](O)C1 86529273 573478165 /nfs/dbraw/zinc/47/81/65/573478165.db2.gz JNOWOSUVQBIHCH-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN FC(F)(F)[C@@H]1CCNCC1(F)F 257818073 573478190 /nfs/dbraw/zinc/47/81/90/573478190.db2.gz CNXFKNDRHQKZPA-SCSAIBSYSA-N 0 0 189.127 1.794 10 0 ADAERN CNc1cc2c(nn1)[C@@H](C)CC2 83389981 573478196 /nfs/dbraw/zinc/47/81/96/573478196.db2.gz UEWJSZMZSRLIQV-LURJTMIESA-N 0 0 163.224 1.568 10 0 ADAERN COCCOC(=O)[C@H]1CC[C@@H](F)C1 308392245 573479063 /nfs/dbraw/zinc/47/90/63/573479063.db2.gz BOOFWUYIDZIYLH-JGVFFNPUSA-N 0 0 190.214 1.314 10 0 ADAERN CCCOC[C@@H]1CC[C@H](O)C1 86529267 573478220 /nfs/dbraw/zinc/47/82/20/573478220.db2.gz JNOWOSUVQBIHCH-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN C[N@@H+]1CC[C@](F)(C(C)(C)C(=O)[O-])C1 257818304 573478246 /nfs/dbraw/zinc/47/82/46/573478246.db2.gz FBZSGSLYEWVOPB-SECBINFHSA-N 0 0 189.230 1.141 10 0 ADAERN CCOC[C@H]1CCCC[C@H](O)C1 86529315 573478251 /nfs/dbraw/zinc/47/82/51/573478251.db2.gz CIHFLCLYLFIUJQ-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN Nc1n[nH]cc1-c1cccc(O)c1 257818117 573478255 /nfs/dbraw/zinc/47/82/55/573478255.db2.gz CQDZONOHXQBPOQ-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN CO[C@]1(C)C[C@H](C)CC1=O 238414478 573478257 /nfs/dbraw/zinc/47/82/57/573478257.db2.gz GDAWDLDAWFGPOX-HTRCEHHLSA-N 0 0 142.198 1.391 10 0 ADAERN COC[C@@H]1CCCC[C@@H](O)C1 86529339 573478264 /nfs/dbraw/zinc/47/82/64/573478264.db2.gz UHGPRKKEAALWPD-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CC(=O)C(C)=C1NOC(=O)C1C 107286061 573478273 /nfs/dbraw/zinc/47/82/73/573478273.db2.gz NANLSERONIWHLO-SCSAIBSYSA-N 0 0 169.180 1.381 10 0 ADAERN C[N@@H+]1CCC[C@@H]1c1cnoc1C(=O)[O-] 257818313 573478276 /nfs/dbraw/zinc/47/82/76/573478276.db2.gz FCLNEKCTTUJXDS-SSDOTTSWSA-N 0 0 196.206 1.140 10 0 ADAERN COC(=O)C[C@@H]1C[C@H](C)CC[C@@H]1O 259466716 573478289 /nfs/dbraw/zinc/47/82/89/573478289.db2.gz ASZWVMZYBBTTSA-VGMNWLOBSA-N 0 0 186.251 1.347 10 0 ADAERN COCc1cc(C)cnc1N 86528162 573479071 /nfs/dbraw/zinc/47/90/71/573479071.db2.gz HELGIZVZRRIECD-UHFFFAOYSA-N 0 0 152.197 1.119 10 0 ADAERN CCn1ccnc1[C@]1(O)CCC[C@H]1C 83395847 573478331 /nfs/dbraw/zinc/47/83/31/573478331.db2.gz OUQZSNLPQRZIGR-KOLCDFICSA-N 0 0 194.278 1.911 10 0 ADAERN CC(C)OC[C@@H]1CCC[C@@H]1O 86527482 573478332 /nfs/dbraw/zinc/47/83/32/573478332.db2.gz KACZTVINKSSNNU-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN O=C1CCC[C@@H]1CCn1cncn1 86530681 573478347 /nfs/dbraw/zinc/47/83/47/573478347.db2.gz OOXOJWWKQADYNN-MRVPVSSYSA-N 0 0 179.223 1.037 10 0 ADAERN CCOC[C@H]1CCCCC1=O 86527512 573478353 /nfs/dbraw/zinc/47/83/53/573478353.db2.gz JHNCIGGWJHJOSK-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN CCNc1cc2c(nn1)[C@H](C)CC2 83389984 573478354 /nfs/dbraw/zinc/47/83/54/573478354.db2.gz NFBCNTYBDQPAGR-SSDOTTSWSA-N 0 0 177.251 1.958 10 0 ADAERN CCCC(=O)OCC[C@@H](C)CO 238237779 573478358 /nfs/dbraw/zinc/47/83/58/573478358.db2.gz KQVKBBSOSUWKTA-MRVPVSSYSA-N 0 0 174.240 1.348 10 0 ADAERN C[C@H]1CCC[C@]1(C(=O)[O-])[NH+]1CCCC1 83395919 573478361 /nfs/dbraw/zinc/47/83/61/573478361.db2.gz YEFIHERYEZDOOS-ONGXEEELSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1cnc(N)c(COC(C)C)c1 86528159 573478364 /nfs/dbraw/zinc/47/83/64/573478364.db2.gz IFGHNGYUOVHHQG-UHFFFAOYSA-N 0 0 180.251 1.897 10 0 ADAERN CCCC[C@@H](NN)c1cnn(C)c1C 130135252 573478371 /nfs/dbraw/zinc/47/83/71/573478371.db2.gz NZGREJQVEUBPQT-SNVBAGLBSA-N 0 0 196.298 1.423 10 0 ADAERN CC(C)[C@@H](F)CCO 257818134 573478376 /nfs/dbraw/zinc/47/83/76/573478376.db2.gz CQSIZZLCJZRKBJ-LURJTMIESA-N 0 0 120.167 1.363 10 0 ADAERN CCn1nccc1[C@]1(O)CCC[C@@H]1C 83395299 573478377 /nfs/dbraw/zinc/47/83/77/573478377.db2.gz BUEFMJKJMFFKHB-ONGXEEELSA-N 0 0 194.278 1.911 10 0 ADAERN Nc1nnc([C@H]2CCOC2)cc1Cl 259469464 573478382 /nfs/dbraw/zinc/47/83/82/573478382.db2.gz NQNXLICOECJAKJ-YFKPBYRVSA-N 0 0 199.641 1.216 10 0 ADAERN COc1c(C)cc(C)cc1CNN 259105772 573478389 /nfs/dbraw/zinc/47/83/89/573478389.db2.gz BFXZSXDYJLHGOD-UHFFFAOYSA-N 0 0 180.251 1.275 10 0 ADAERN Cc1cccc2c1NC[C@@H](CCO)C2 257818317 573478396 /nfs/dbraw/zinc/47/83/96/573478396.db2.gz FCQGJYDLSHWVBG-JTQLQIEISA-N 0 0 191.274 1.962 10 0 ADAERN COc1ncc(F)c(N)c1C(F)F 238414450 573478401 /nfs/dbraw/zinc/47/84/01/573478401.db2.gz YNCCKJQMWQCASS-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CCn1cc([C@@]2(O)CCC[C@@H]2C)cn1 83395510 573478412 /nfs/dbraw/zinc/47/84/12/573478412.db2.gz CJPXGBVAQUQDBA-GXSJLCMTSA-N 0 0 194.278 1.911 10 0 ADAERN CCC[C@@H](C)N1CN[C@H](CC)C1=O 138481224 573478423 /nfs/dbraw/zinc/47/84/23/573478423.db2.gz VBVFYKFEPKAWQQ-RKDXNWHRSA-N 0 0 184.283 1.343 10 0 ADAERN C[C@H]1CCC[C@]1(O)c1nccn1C 83395836 573478426 /nfs/dbraw/zinc/47/84/26/573478426.db2.gz LTBMYJBWBLOOSH-WCBMZHEXSA-N 0 0 180.251 1.428 10 0 ADAERN NCC(F)(F)c1ccc(O)cc1F 257818169 573478430 /nfs/dbraw/zinc/47/84/30/573478430.db2.gz CSGWZOWWZGZMQJ-UHFFFAOYSA-N 0 0 191.152 1.582 10 0 ADAERN CC(C)n1c(C=O)nc2ccnnc21 107289446 573478440 /nfs/dbraw/zinc/47/84/40/573478440.db2.gz RUJZYXPYQNWIIO-UHFFFAOYSA-N 0 0 190.206 1.220 10 0 ADAERN CCCOC[C@@H]1CCC[C@H](O)C1 86529290 573478442 /nfs/dbraw/zinc/47/84/42/573478442.db2.gz ZKXVUVXOATZZTA-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CCOC[C@@H]1CCC(=O)C1 86528228 573478445 /nfs/dbraw/zinc/47/84/45/573478445.db2.gz SZXOKKIOXOFLRA-SSDOTTSWSA-N 0 0 142.198 1.392 10 0 ADAERN CCOCC1=C[C@H](O)CCC1 86529462 573478448 /nfs/dbraw/zinc/47/84/48/573478448.db2.gz VQCUGQJBXAOSOV-SECBINFHSA-N 0 0 156.225 1.494 10 0 ADAERN CCO[C@H]1CCC[C@H]1CC(=O)OC 259466759 573478713 /nfs/dbraw/zinc/47/87/13/573478713.db2.gz ATHCRRJZNZJFJE-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)OC[C@@H]1CC[C@H](O)C1 86529274 573478462 /nfs/dbraw/zinc/47/84/62/573478462.db2.gz FGUHVHIBNUGNJS-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN CO[C@@]1(C)CC(=O)C[C@@H](C)C1 238414447 573478927 /nfs/dbraw/zinc/47/89/27/573478927.db2.gz VRWJSBJPZAMQFL-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)OC[C@H]1CC[C@H](O)C1 86529278 573478490 /nfs/dbraw/zinc/47/84/90/573478490.db2.gz FGUHVHIBNUGNJS-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H]1COc2ccc(CCO)cc21 238413445 573478506 /nfs/dbraw/zinc/47/85/06/573478506.db2.gz FVUOFVJIQQNULD-MRVPVSSYSA-N 0 0 178.231 1.717 10 0 ADAERN COC[C@@H]1CC[C@H](O)[C@@H]1C 86529454 573478509 /nfs/dbraw/zinc/47/85/09/573478509.db2.gz HVZBKLOFXGRKEA-CSMHCCOUSA-N 0 0 144.214 1.040 10 0 ADAERN CC(=O)Cc1nc2c(F)cccc2[nH]1 107288185 573478520 /nfs/dbraw/zinc/47/85/20/573478520.db2.gz LIXCXGWJWGPLCD-UHFFFAOYSA-N 0 0 192.193 1.834 10 0 ADAERN CC(=O)N(C)c1ccc(C)o1 258668415 573478521 /nfs/dbraw/zinc/47/85/21/573478521.db2.gz CDZFZJUSPYYHCW-UHFFFAOYSA-N 0 0 153.181 1.571 10 0 ADAERN CCCOCC1=C[C@@H](O)CC1 86529503 573478533 /nfs/dbraw/zinc/47/85/33/573478533.db2.gz ZCIRQQYABLWOHY-VIFPVBQESA-N 0 0 156.225 1.494 10 0 ADAERN CC[NH+](CC)[C@]1(C(=O)[O-])C[C@@H](C)[C@@H]1C 308595801 573478537 /nfs/dbraw/zinc/47/85/37/573478537.db2.gz YPMFSHHINOUXPG-WCABBAIRSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1cccc2oc(C=O)nc12 107292024 573478560 /nfs/dbraw/zinc/47/85/60/573478560.db2.gz DUEIAWVMMIIWHW-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CCn1ccnc1[C@]1(O)CCC[C@@H]1C 83395842 573478561 /nfs/dbraw/zinc/47/85/61/573478561.db2.gz OUQZSNLPQRZIGR-ONGXEEELSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@@H]1CCC[C@@](C)(O)CC1=O 238414562 573479006 /nfs/dbraw/zinc/47/90/06/573479006.db2.gz AQJNQVNLJRVXST-VXNVDRBHSA-N 0 0 156.225 1.517 10 0 ADAERN COCC[C@@H](O)[C@@H](O)c1ccccc1 308596982 573478583 /nfs/dbraw/zinc/47/85/83/573478583.db2.gz SIEDACNGOSPDGV-MNOVXSKESA-N 0 0 196.246 1.117 10 0 ADAERN C[C@H]1CCC[C@@]1(C(=O)[O-])[NH+]1CCCC1 83395915 573478589 /nfs/dbraw/zinc/47/85/89/573478589.db2.gz YEFIHERYEZDOOS-GXSJLCMTSA-N 0 0 197.278 1.726 10 0 ADAERN CC(C)OCC1=C[C@@H](O)CCC1 86529472 573478598 /nfs/dbraw/zinc/47/85/98/573478598.db2.gz NNAXCQCEHHENHA-JTQLQIEISA-N 0 0 170.252 1.883 10 0 ADAERN C[C@@H]1COc2ccc(N)cc21 238413499 573478606 /nfs/dbraw/zinc/47/86/06/573478606.db2.gz HWVKUIORKUUGEG-ZCFIWIBFSA-N 0 0 149.193 1.765 10 0 ADAERN CC(C)[C@H](F)CCO 257818136 573478631 /nfs/dbraw/zinc/47/86/31/573478631.db2.gz CQSIZZLCJZRKBJ-ZCFIWIBFSA-N 0 0 120.167 1.363 10 0 ADAERN CSC1=NC(=O)NC1(C)C 238413943 573478632 /nfs/dbraw/zinc/47/86/32/573478632.db2.gz IQXHMXJKVVHHBD-UHFFFAOYSA-N 0 0 158.226 1.250 10 0 ADAERN COCCNc1n[nH]c2c1CC[C@H]2C 83390112 573478636 /nfs/dbraw/zinc/47/86/36/573478636.db2.gz RUELOHUZUOTHFV-SSDOTTSWSA-N 0 0 195.266 1.518 10 0 ADAERN O=C1NCC[C@@H](c2cccc(F)c2)O1 257818316 573478648 /nfs/dbraw/zinc/47/86/48/573478648.db2.gz FCLWVBNYFDQQKF-VIFPVBQESA-N 0 0 195.193 1.997 10 0 ADAERN Cc1cccc([C@@H]2CONC(=O)O2)c1 257818290 573478661 /nfs/dbraw/zinc/47/86/61/573478661.db2.gz FBGBRDFALFTTSW-VIFPVBQESA-N 0 0 193.202 1.708 10 0 ADAERN COC(=O)CCc1cc(C)cn1C 259468170 573478670 /nfs/dbraw/zinc/47/86/70/573478670.db2.gz AZRKOZSJLQJIIT-UHFFFAOYSA-N 0 0 181.235 1.439 10 0 ADAERN Cc1cc(CNO)cc(O)c1C 258045926 573480541 /nfs/dbraw/zinc/48/05/41/573480541.db2.gz QPKWSZCUBQRUHX-UHFFFAOYSA-N 0 0 167.208 1.488 10 0 ADAERN Cc1cnn(CC[C@H]2CCCC2=O)c1 86530685 573478674 /nfs/dbraw/zinc/47/86/74/573478674.db2.gz LTSQNGZHYZSZLR-SNVBAGLBSA-N 0 0 192.262 1.951 10 0 ADAERN 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ASRYRGHCEGSHDU-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN C[C@@H]1CCC[C@@]1(C(=O)[O-])[NH+](C)C 83395897 573480404 /nfs/dbraw/zinc/48/04/04/573480404.db2.gz MNVJRERBRXOFOM-VXNVDRBHSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)CCc1nc2cccnc2[nH]1 107288290 573480405 /nfs/dbraw/zinc/48/04/05/573480405.db2.gz QECUDRRGIBEEMK-UHFFFAOYSA-N 0 0 189.218 1.480 10 0 ADAERN COC[C@@H]1CCCCC(=O)C1 86528247 573480411 /nfs/dbraw/zinc/48/04/11/573480411.db2.gz MUXVUTJPAKCISR-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN COC(=O)c1cccc2c1C[C@@H](C)N2 238413512 573480428 /nfs/dbraw/zinc/48/04/28/573480428.db2.gz CFHBTSDKVJNTNG-SSDOTTSWSA-N 0 0 191.230 1.830 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](CC1(C)CCC1)NN 689960681 573480432 /nfs/dbraw/zinc/48/04/32/573480432.db2.gz KKYZAWJOWICHCY-LPEHRKFASA-N 0 0 198.310 1.434 10 0 ADAERN CCOC[C@@H]1CCC(=O)[C@@H]1C 86528342 573480434 /nfs/dbraw/zinc/48/04/34/573480434.db2.gz LWHBLQOZDJDKEA-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN CNc1ncc2c(n1)[C@H](C)CC2 83390152 573480445 /nfs/dbraw/zinc/48/04/45/573480445.db2.gz JJVTVZAGZLRHRT-ZCFIWIBFSA-N 0 0 163.224 1.568 10 0 ADAERN CC(=O)C1=N[C@H](C)CS1 238414157 573480451 /nfs/dbraw/zinc/48/04/51/573480451.db2.gz UAKCDLQXYDJZEE-SCSAIBSYSA-N 0 0 143.211 1.109 10 0 ADAERN C[C@@]12C=CC=CC=C1OCC2=O 238415061 573481476 /nfs/dbraw/zinc/48/14/76/573481476.db2.gz SVWSYOJBXOCKQO-JTQLQIEISA-N 0 0 162.188 1.602 10 0 ADAERN CCCCCC(=O)N(C)C(=O)NC 238248159 573481871 /nfs/dbraw/zinc/48/18/71/573481871.db2.gz DWIQZRQFDZWNDN-UHFFFAOYSA-N 0 0 186.255 1.365 10 0 ADAERN CCc1[nH+]c(CCCO)[nH]c1C 258497641 573481801 /nfs/dbraw/zinc/48/18/01/573481801.db2.gz DMGHTMGQTWWCBX-UHFFFAOYSA-N 0 0 168.240 1.205 10 0 ADAERN Cc1nnn(C2CCCCC2)c1C=O 257819571 573481809 /nfs/dbraw/zinc/48/18/09/573481809.db2.gz FMGWOIGESMSRFV-UHFFFAOYSA-N 0 0 193.250 1.904 10 0 ADAERN Cc1cc2[nH]c(C=O)nc2cc1F 107288399 573481812 /nfs/dbraw/zinc/48/18/12/573481812.db2.gz GPIPDZNWLDIXKO-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN C[C@H]1CC[C@H]1[N@H+](CCC(=O)[O-])C1CC1 308595260 573481817 /nfs/dbraw/zinc/48/18/17/573481817.db2.gz MFKRCMWUZREUPL-WCBMZHEXSA-N 0 0 197.278 1.724 10 0 ADAERN Cn1nc(C=O)c2c1CC[C@]2(C)F 257818922 573481821 /nfs/dbraw/zinc/48/18/21/573481821.db2.gz FCZCGPMRZMXJET-VIFPVBQESA-N 0 0 182.198 1.364 10 0 ADAERN CC(=O)Cc1onc2c1CCC2 107290577 573481837 /nfs/dbraw/zinc/48/18/37/573481837.db2.gz HLMBSQMQOSQSPL-UHFFFAOYSA-N 0 0 165.192 1.295 10 0 ADAERN CO[C@@H](C)CN[C@@H](C)c1coc(C)n1 308595682 573481845 /nfs/dbraw/zinc/48/18/45/573481845.db2.gz MILAIPDPSWBOCT-YUMQZZPRSA-N 0 0 198.266 1.669 10 0 ADAERN O[C@@H]1CCC[C@H]1CCn1cccn1 86547627 573481858 /nfs/dbraw/zinc/48/18/58/573481858.db2.gz IFWQQHLKPQEGEH-VHSXEESVSA-N 0 0 180.251 1.434 10 0 ADAERN C[C@@H]1OCc2cc(O)ccc21 238414719 573482125 /nfs/dbraw/zinc/48/21/25/573482125.db2.gz GIAZKAGEEYBVBX-LURJTMIESA-N 0 0 150.177 1.983 10 0 ADAERN Cc1ccnn1CC[C@H]1CCCC1=O 86531475 573481908 /nfs/dbraw/zinc/48/19/08/573481908.db2.gz MQHNROPEIVXWAM-SNVBAGLBSA-N 0 0 192.262 1.951 10 0 ADAERN Cc1c([C@H](O)c2ccco2)cnn1C 86552576 573481916 /nfs/dbraw/zinc/48/19/16/573481916.db2.gz NBWPJXTWSWMFNB-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN C[C@@H]1CS[C@H](CCCCO)[NH2+]1 238414984 573481926 /nfs/dbraw/zinc/48/19/26/573481926.db2.gz JQDBAAIPDNRKNK-HTQZYQBOSA-N 0 0 175.297 1.200 10 0 ADAERN C/C=C\CC(=O)N1CCC[C@H]1COC 308596535 573481928 /nfs/dbraw/zinc/48/19/28/573481928.db2.gz SEOWTLGDGJKHJH-XOULXFPDSA-N 0 0 197.278 1.590 10 0 ADAERN CCCC(C)(C)NC(=O)OCCO 126361252 573481952 /nfs/dbraw/zinc/48/19/52/573481952.db2.gz XXGDXEGMLUCXNW-UHFFFAOYSA-N 0 0 189.255 1.284 10 0 ADAERN Cc1ccn(CC[C@H]2CCC[C@H]2O)n1 86547734 573481960 /nfs/dbraw/zinc/48/19/60/573481960.db2.gz UADXDHAQTXMDMK-GHMZBOCLSA-N 0 0 194.278 1.743 10 0 ADAERN Cc1c([C@@H](O)c2ccco2)cnn1C 86552577 573481966 /nfs/dbraw/zinc/48/19/66/573481966.db2.gz NBWPJXTWSWMFNB-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN O=C1CCCNN1c1ccc(O)cc1 257819015 573481992 /nfs/dbraw/zinc/48/19/92/573481992.db2.gz FHZLFJGVFCDERK-UHFFFAOYSA-N 0 0 192.218 1.024 10 0 ADAERN CC(C)(C)c1nc(N)nc2c1CCO2 74248009 573482002 /nfs/dbraw/zinc/48/20/02/573482002.db2.gz FVKHBSPQQJMJDU-UHFFFAOYSA-N 0 0 193.250 1.291 10 0 ADAERN CCOc1ccc(C(=S)NC)cc1 258677349 573482004 /nfs/dbraw/zinc/48/20/04/573482004.db2.gz VVPNTFZDZYQQSQ-UHFFFAOYSA-N 0 0 195.287 1.980 10 0 ADAERN CCOC(=O)Cc1[nH]ccc1OC 259469770 573482027 /nfs/dbraw/zinc/48/20/27/573482027.db2.gz BDNZZFZBQDNSAO-UHFFFAOYSA-N 0 0 183.207 1.129 10 0 ADAERN Cc1nc2ccc(N)nc2s1 223109720 573482051 /nfs/dbraw/zinc/48/20/51/573482051.db2.gz CXTKJFVEFMDISL-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN C[C@H](C(=O)C1(C)CC1)[S@@](C)=O 238415028 573482070 /nfs/dbraw/zinc/48/20/70/573482070.db2.gz GGFPXDIIWRCYOW-KSBSHMNSSA-N 0 0 174.265 1.123 10 0 ADAERN Cc1cccc2c1NC(=O)[C@H](C)N=C2 238415392 573482222 /nfs/dbraw/zinc/48/22/22/573482222.db2.gz FIKXKCLRBOYPEX-QMMMGPOBSA-N 0 0 188.230 1.755 10 0 ADAERN COCC[C@H](O)[C@H](O)c1ccccc1 308596984 573482091 /nfs/dbraw/zinc/48/20/91/573482091.db2.gz SIEDACNGOSPDGV-WDEREUQCSA-N 0 0 196.246 1.117 10 0 ADAERN C[C@@H]1CCC[C@@](O)([C@@H](C)O)C1 238415273 573482093 /nfs/dbraw/zinc/48/20/93/573482093.db2.gz GROIBAKLZXDEBE-HLTSFMKQSA-N 0 0 158.241 1.308 10 0 ADAERN O=C1CCC(C(=O)c2ccc[nH]2)CC1 259100578 573482098 /nfs/dbraw/zinc/48/20/98/573482098.db2.gz HDBNUEGKIFPPQH-UHFFFAOYSA-N 0 0 191.230 1.957 10 0 ADAERN CC[NH+](CC)[C@]1(C(=O)[O-])C[C@H](C)[C@@H]1C 308595798 573482116 /nfs/dbraw/zinc/48/21/16/573482116.db2.gz YPMFSHHINOUXPG-ATZCPNFKSA-N 0 0 199.294 1.828 10 0 ADAERN COC(=O)[C@@H]1Cc2occc2C12CC2 259469735 573482122 /nfs/dbraw/zinc/48/21/22/573482122.db2.gz BCYHGVLDZFAFHJ-QMMMGPOBSA-N 0 0 192.214 1.657 10 0 ADAERN NC(=O)CCc1cccc2c1CCN2 258045678 573482123 /nfs/dbraw/zinc/48/21/23/573482123.db2.gz ICXJNFIZRMTYBJ-UHFFFAOYSA-N 0 0 190.246 1.073 10 0 ADAERN CC(=O)[C@H](C)C(=O)Nc1nccs1 238415888 573482136 /nfs/dbraw/zinc/48/21/36/573482136.db2.gz HUBVWJBSVATICP-YFKPBYRVSA-N 0 0 198.247 1.307 10 0 ADAERN COc1c(C)cc2c(c1C=O)CCO2 258045902 573482143 /nfs/dbraw/zinc/48/21/43/573482143.db2.gz QOQNWKBPHUECQX-UHFFFAOYSA-N 0 0 192.214 1.751 10 0 ADAERN CCCC[C@H](NN)c1cnc(C)cn1 130144855 573482144 /nfs/dbraw/zinc/48/21/44/573482144.db2.gz QVDFBXOMHSAHON-VIFPVBQESA-N 0 0 194.282 1.480 10 0 ADAERN CO[C@]1(C)SCCS[C@H]1O 238415614 573482145 /nfs/dbraw/zinc/48/21/45/573482145.db2.gz TYSGUKOMBAZLBY-PHDIDXHHSA-N 0 0 180.294 1.147 10 0 ADAERN C[C@@H](O)/C(=C/c1ccccc1)CO 238414827 573482158 /nfs/dbraw/zinc/48/21/58/573482158.db2.gz LCNQKJDWSPPLLB-MXFUOJGSSA-N 0 0 178.231 1.443 10 0 ADAERN COC(=O)c1nccc2nc(C)oc12 259468379 573482159 /nfs/dbraw/zinc/48/21/59/573482159.db2.gz BCAPGNQSICOTDF-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN COC(=O)[C@](C)(CO)CC(C)C 257818547 573482162 /nfs/dbraw/zinc/48/21/62/573482162.db2.gz FBXNAYSGEIABPG-VIFPVBQESA-N 0 0 174.240 1.204 10 0 ADAERN C[C@]12C(=O)N[C@@H]1C=Cc1ccccc12 223116923 573482203 /nfs/dbraw/zinc/48/22/03/573482203.db2.gz IUJYYCXMXXOYTL-ZYHUDNBSSA-N 0 0 185.226 1.470 10 0 ADAERN Cc1nccn1CC[C@@H]1CCC[C@@H]1O 86547605 573482215 /nfs/dbraw/zinc/48/22/15/573482215.db2.gz ZQUXPJYYGPTQSS-QWRGUYRKSA-N 0 0 194.278 1.743 10 0 ADAERN CC(C)(C)C[NH+]1CCC(C(=O)[O-])CC1 83404078 573482219 /nfs/dbraw/zinc/48/22/19/573482219.db2.gz ISXJMNADSGFOCW-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1c2c(nn1C(N)=O)C[C@H](C)CC2 238415484 573482290 /nfs/dbraw/zinc/48/22/90/573482290.db2.gz COCITTDTCDNKNW-ZCFIWIBFSA-N 0 0 193.250 1.243 10 0 ADAERN C[C@@H]1C(=O)C[C@H]2OCC[C@@H](C)[C@@H]12 223105280 573482293 /nfs/dbraw/zinc/48/22/93/573482293.db2.gz UPNOZSSOYIGZTN-ZXZZCXTASA-N 0 0 168.236 1.637 10 0 ADAERN Cc1cnn(CC[C@@H]2CCC[C@@H]2O)c1 86547657 573482297 /nfs/dbraw/zinc/48/22/97/573482297.db2.gz GOHBYRPOZONONA-QWRGUYRKSA-N 0 0 194.278 1.743 10 0 ADAERN CO[C@H](C)CN[C@@H](C)c1coc(C)n1 308595681 573482305 /nfs/dbraw/zinc/48/23/05/573482305.db2.gz MILAIPDPSWBOCT-SFYZADRCSA-N 0 0 198.266 1.669 10 0 ADAERN Cc1ccn(CC[C@H]2CCC[C@@H]2O)n1 86547732 573482321 /nfs/dbraw/zinc/48/23/21/573482321.db2.gz UADXDHAQTXMDMK-MNOVXSKESA-N 0 0 194.278 1.743 10 0 ADAERN COC(=O)[C@@H](c1ccc[nH]1)C1CC1 259471115 573482325 /nfs/dbraw/zinc/48/23/25/573482325.db2.gz BOAHMSVIZRRUKN-SECBINFHSA-N 0 0 179.219 1.681 10 0 ADAERN C[S@@](=O)CC[C@@H]1CCCC1=O 86535930 573482345 /nfs/dbraw/zinc/48/23/45/573482345.db2.gz OUXJSONKSBVGHD-CPCISQLKSA-N 0 0 174.265 1.124 10 0 ADAERN Cc1nn(C(N)=O)c2c1CC[C@@H](C)C2 238415515 573482347 /nfs/dbraw/zinc/48/23/47/573482347.db2.gz RVNAEQPCWUNXOG-ZCFIWIBFSA-N 0 0 193.250 1.243 10 0 ADAERN CCCn1ccn(COC(C)C)c1=O 308596334 573482351 /nfs/dbraw/zinc/48/23/51/573482351.db2.gz MSMJYGHXEZLKNN-UHFFFAOYSA-N 0 0 198.266 1.442 10 0 ADAERN COC(=O)c1cn(C2CCCC2)cn1 238414989 573482353 /nfs/dbraw/zinc/48/23/53/573482353.db2.gz BMXHNWXEMVQMJD-UHFFFAOYSA-N 0 0 194.234 1.785 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nccnc1NN 714699142 573482370 /nfs/dbraw/zinc/48/23/70/573482370.db2.gz PNMJYPGVSKCVAE-MUWHJKNJSA-N 0 0 178.239 1.060 10 0 ADAERN CC[C@@H]1NCC(=O)N1CCC(C)(C)C 130192851 573482372 /nfs/dbraw/zinc/48/23/72/573482372.db2.gz ODQLZEHYKYIKFO-SECBINFHSA-N 0 0 198.310 1.591 10 0 ADAERN C[C@@H]1CC[C@@]2(CCCC2=O)C1=O 223103245 573482373 /nfs/dbraw/zinc/48/23/73/573482373.db2.gz QAYKQWONPIVJHB-GMSGAONNSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@H]1N=C(c2ccccc2O)OC1=O 238415240 573482766 /nfs/dbraw/zinc/48/27/66/573482766.db2.gz QOFKDVZJONSSTM-LURJTMIESA-N 0 0 191.186 1.084 10 0 ADAERN C[C@@H]1CC[C@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 83408859 573482386 /nfs/dbraw/zinc/48/23/86/573482386.db2.gz XJIUJKNFLZGXBN-BDAKNGLRSA-N 0 0 199.294 1.970 10 0 ADAERN O=C1[C@@H]2C[C@@H]2CN1C1CCCC1 258045834 573482414 /nfs/dbraw/zinc/48/24/14/573482414.db2.gz REGBPLKSORPNDX-VXNVDRBHSA-N 0 0 165.236 1.407 10 0 ADAERN CCC[C@H](C)N(C)c1ncnc(N)n1 308596904 573482428 /nfs/dbraw/zinc/48/24/28/573482428.db2.gz SESJOWAGIZDRJO-ZETCQYMHSA-N 0 0 195.270 1.079 10 0 ADAERN O=C1CNc2ccnc(Cl)c2N1 257819038 573482432 /nfs/dbraw/zinc/48/24/32/573482432.db2.gz FFBOYEHAQKDUKP-UHFFFAOYSA-N 0 0 183.598 1.099 10 0 ADAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCC(C)(C)C1 83403663 573482436 /nfs/dbraw/zinc/48/24/36/573482436.db2.gz NCFKRIISIXBJDW-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CC[C@H]([N@H+](C)CC(=O)[O-])[C@H](C)C1 83403664 573482970 /nfs/dbraw/zinc/48/29/70/573482970.db2.gz ONBQEFABBOJESK-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN CP(C)c1ccc(CO)cc1 238414957 573482480 /nfs/dbraw/zinc/48/24/80/573482480.db2.gz XEHJPCJDFWJRAC-UHFFFAOYSA-N 0 0 168.176 1.546 10 0 ADAERN O[C@H]1CCC[C@@H]1CCn1ccnc1 86547598 573482489 /nfs/dbraw/zinc/48/24/89/573482489.db2.gz AWQRYKMGMQDTTP-ZJUUUORDSA-N 0 0 180.251 1.434 10 0 ADAERN C[C@@H]1CCC[C@]12C[NH2+]C[C@@H]2C(=O)[O-] 83396899 573483409 /nfs/dbraw/zinc/48/34/09/573483409.db2.gz PLLXNSUFUUWFLE-MRTMQBJTSA-N 0 0 183.251 1.097 10 0 ADAERN COC(=O)c1cncc2ccoc12 259469865 573482491 /nfs/dbraw/zinc/48/24/91/573482491.db2.gz BHFQKCBKECKSGH-UHFFFAOYSA-N 0 0 177.159 1.614 10 0 ADAERN Cc1ccn(CC[C@@H]2CCC[C@@H]2O)n1 86547731 573482500 /nfs/dbraw/zinc/48/25/00/573482500.db2.gz UADXDHAQTXMDMK-QWRGUYRKSA-N 0 0 194.278 1.743 10 0 ADAERN CCC[C@]1(O)CC[C@@H](C)OC1 401963015 573482507 /nfs/dbraw/zinc/48/25/07/573482507.db2.gz YYFANZFPIBJQCH-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN NCc1nnc(NC2CCCCC2)o1 236277539 573482514 /nfs/dbraw/zinc/48/25/14/573482514.db2.gz DRYVCCZMCYZZED-UHFFFAOYSA-N 0 0 196.254 1.273 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cnn(C)c1C 86552471 573482517 /nfs/dbraw/zinc/48/25/17/573482517.db2.gz PUHCEZNCRSEWIX-BDAKNGLRSA-N 0 0 178.235 1.421 10 0 ADAERN C[C@H]1CCCC12CC(=O)NC(=O)C2 83396858 573483437 /nfs/dbraw/zinc/48/34/37/573483437.db2.gz QCDIQKKNYXBUCT-ZETCQYMHSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@H](C1CC1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 83404154 573482538 /nfs/dbraw/zinc/48/25/38/573482538.db2.gz BVELVHBDIIPUMT-SCZZXKLOSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)(C)CCNC(=O)CCCO 130156332 573482542 /nfs/dbraw/zinc/48/25/42/573482542.db2.gz CGNRWLDREWHQMF-UHFFFAOYSA-N 0 0 187.283 1.311 10 0 ADAERN O=C([O-])[C@@H]1CCC[N@@H+]1C1CCC1 83403860 573482575 /nfs/dbraw/zinc/48/25/75/573482575.db2.gz GFUBTRNLTPZOQZ-QMMMGPOBSA-N 0 0 169.224 1.088 10 0 ADAERN C[C@@H]1CCc2cnc(CCO)n2C1 258404681 573482585 /nfs/dbraw/zinc/48/25/85/573482585.db2.gz VCWACJSLHZQTOT-MRVPVSSYSA-N 0 0 180.251 1.000 10 0 ADAERN Cc1c([C@H](O)C2CCCC2)cnn1C 86552584 573482612 /nfs/dbraw/zinc/48/26/12/573482612.db2.gz WRWXLJMOGLCDCM-LLVKDONJSA-N 0 0 194.278 1.952 10 0 ADAERN C[C@](F)(CO)c1ccc(O)cc1 257819174 573482632 /nfs/dbraw/zinc/48/26/32/573482632.db2.gz DBFLGLZKRKYLMX-VIFPVBQESA-N 0 0 170.183 1.569 10 0 ADAERN Cc1c([C@H](O)C(F)(F)F)cnn1C 86552702 573482645 /nfs/dbraw/zinc/48/26/45/573482645.db2.gz CUBNQHDHJJXCDF-LURJTMIESA-N 0 0 194.156 1.324 10 0 ADAERN Cc1nccn1CC[C@H]1CCC[C@H]1O 86547608 573482663 /nfs/dbraw/zinc/48/26/63/573482663.db2.gz ZQUXPJYYGPTQSS-GHMZBOCLSA-N 0 0 194.278 1.743 10 0 ADAERN CC[NH+](CC)[C@]1(C(=O)[O-])C[C@H](C)[C@H]1C 308595800 573482665 /nfs/dbraw/zinc/48/26/65/573482665.db2.gz YPMFSHHINOUXPG-IQJOONFLSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CCC[C@@]12C[C@H](O)CCO2 83396952 573482669 /nfs/dbraw/zinc/48/26/69/573482669.db2.gz YQTOMKOFFOWRNU-OPRDCNLKSA-N 0 0 170.252 1.717 10 0 ADAERN OCCCSCc1ccoc1 130212291 573488917 /nfs/dbraw/zinc/48/89/17/573488917.db2.gz AAPCNZPFBRXPPG-UHFFFAOYSA-N 0 0 172.249 1.895 10 0 ADAERN CSc1ccc(C[NH3+])cc1C(=O)[O-] 238414619 573482697 /nfs/dbraw/zinc/48/26/97/573482697.db2.gz LSHMKQKWIAQUEV-UHFFFAOYSA-N 0 0 197.259 1.565 10 0 ADAERN C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)[O-])[C@H](C)C1 83403667 573482709 /nfs/dbraw/zinc/48/27/09/573482709.db2.gz ONBQEFABBOJESK-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1CCC[C@@H]1[N@H+](C)C(C)(C)C(=O)[O-] 83409070 573482733 /nfs/dbraw/zinc/48/27/33/573482733.db2.gz CZSUPINTLYCPMB-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN CSCC[C@@H](C)[NH2+]CCC(=O)[O-] 130142125 573482739 /nfs/dbraw/zinc/48/27/39/573482739.db2.gz FYCRUFAZLRUIAX-SSDOTTSWSA-N 0 0 191.296 1.192 10 0 ADAERN OC[C@@H](c1ccccc1)C1COC1 258677591 573482771 /nfs/dbraw/zinc/48/27/71/573482771.db2.gz VYIMHUHXUCVCKA-NSHDSACASA-N 0 0 178.231 1.409 10 0 ADAERN CCc1nc([C@H](C)N)oc1C 259471628 573483445 /nfs/dbraw/zinc/48/34/45/573483445.db2.gz WTDDHSDZXVCVOY-YFKPBYRVSA-N 0 0 154.213 1.565 10 0 ADAERN CC[C@@H](C(=O)OC)[C@@H]1CCSC1 259469723 573482788 /nfs/dbraw/zinc/48/27/88/573482788.db2.gz BCVMMYBVVYEQES-HTQZYQBOSA-N 0 0 188.292 1.939 10 0 ADAERN C[C@@H]1CCC[C@H]1[C@@H]1CC(=O)NC1=O 83397269 573482835 /nfs/dbraw/zinc/48/28/35/573482835.db2.gz IBXSWYPTLBGHSH-PRJMDXOYSA-N 0 0 181.235 1.085 10 0 ADAERN CCOC(=O)C1(c2n[nH]cc2C)CC1 259470980 573482850 /nfs/dbraw/zinc/48/28/50/573482850.db2.gz BKVGHXRPZWCHRP-UHFFFAOYSA-N 0 0 194.234 1.313 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@H+](CCC(=O)[O-])C1CC1 308595259 573482864 /nfs/dbraw/zinc/48/28/64/573482864.db2.gz MFKRCMWUZREUPL-SCZZXKLOSA-N 0 0 197.278 1.724 10 0 ADAERN CCOC(=O)[C@H](C)c1ccnc(C)n1 259469740 573482868 /nfs/dbraw/zinc/48/28/68/573482868.db2.gz BDASARHIMUGZDP-SSDOTTSWSA-N 0 0 194.234 1.452 10 0 ADAERN O[C@@H]1CCC[C@H]1CCn1ccnc1 86547599 573482885 /nfs/dbraw/zinc/48/28/85/573482885.db2.gz AWQRYKMGMQDTTP-VHSXEESVSA-N 0 0 180.251 1.434 10 0 ADAERN C[C@@H]1CCC[C@H]1[N@H+](C)CC(=O)[O-] 83403714 573483447 /nfs/dbraw/zinc/48/34/47/573483447.db2.gz XBAVFPYDDVTDPP-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)=C[C@H](O)c1cnn(C)c1C 86552591 573482912 /nfs/dbraw/zinc/48/29/12/573482912.db2.gz YPKHVAGAWQHDKY-JTQLQIEISA-N 0 0 180.251 1.728 10 0 ADAERN CCc1c[nH]c(C2(C(=O)OC)CC2)n1 259106469 573482913 /nfs/dbraw/zinc/48/29/13/573482913.db2.gz OOSSHNDEMHAVKC-UHFFFAOYSA-N 0 0 194.234 1.177 10 0 ADAERN COc1cc([C@@H](N)C(F)(F)F)co1 238414857 573482934 /nfs/dbraw/zinc/48/29/34/573482934.db2.gz BOVMAEYFWGVSRU-ZCFIWIBFSA-N 0 0 195.140 1.850 10 0 ADAERN O=C1CCc2onc(C3CC3)c21 107296810 573482937 /nfs/dbraw/zinc/48/29/37/573482937.db2.gz YKWWIKSOFCMAEG-UHFFFAOYSA-N 0 0 163.176 1.681 10 0 ADAERN CC(C)CCCCN1C[C@H](O)CC1=O 147794486 573482951 /nfs/dbraw/zinc/48/29/51/573482951.db2.gz SZBSWXRSQZLAMM-SNVBAGLBSA-N 0 0 199.294 1.406 10 0 ADAERN CO[C@H]1COc2cc(N)ccc2C1 257819478 573482953 /nfs/dbraw/zinc/48/29/53/573482953.db2.gz FHHJRXPJXNVZTI-SECBINFHSA-N 0 0 179.219 1.219 10 0 ADAERN Cc1ccnn1CC[C@@H]1CCC[C@@H]1O 86547735 573483451 /nfs/dbraw/zinc/48/34/51/573483451.db2.gz OWCZNIIHWBYFLA-QWRGUYRKSA-N 0 0 194.278 1.743 10 0 ADAERN Cc1c([C@H](O)C(C)C)cnn1C 86552562 573484745 /nfs/dbraw/zinc/48/47/45/573484745.db2.gz CFQMLXHKQSCLLZ-SECBINFHSA-N 0 0 168.240 1.418 10 0 ADAERN CSC1=NSC(C)(C)[C@@H](O)N1 238414701 573482981 /nfs/dbraw/zinc/48/29/81/573482981.db2.gz SFVXZJHPWVZWTR-SCSAIBSYSA-N 0 0 192.309 1.054 10 0 ADAERN CSc1ccc(C[C@H](C)O)o1 238415349 573482994 /nfs/dbraw/zinc/48/29/94/573482994.db2.gz SLDJZSISMAPQAE-LURJTMIESA-N 0 0 172.249 1.925 10 0 ADAERN CCC[C@@H](C)N(C)c1ncnc(N)n1 308596903 573483003 /nfs/dbraw/zinc/48/30/03/573483003.db2.gz SESJOWAGIZDRJO-SSDOTTSWSA-N 0 0 195.270 1.079 10 0 ADAERN CCC[C@@]1(O)CC[C@@H](C)OC1 401963018 573483011 /nfs/dbraw/zinc/48/30/11/573483011.db2.gz YYFANZFPIBJQCH-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CO[C@]1(C)C[Si](C)(C)C[C@@H]1O 238414639 573483013 /nfs/dbraw/zinc/48/30/13/573483013.db2.gz VQBCOPIOFGHVMJ-JGVFFNPUSA-N 0 0 174.316 1.474 10 0 ADAERN Cc1ccnn1CC[C@H]1CCC[C@H]1O 86547738 573483020 /nfs/dbraw/zinc/48/30/20/573483020.db2.gz OWCZNIIHWBYFLA-GHMZBOCLSA-N 0 0 194.278 1.743 10 0 ADAERN CO[C@]1(C)N=NC(C)(C)C1=O 238414726 573483021 /nfs/dbraw/zinc/48/30/21/573483021.db2.gz YOXJPUTYSJHNFM-ZETCQYMHSA-N 0 0 156.185 1.163 10 0 ADAERN C[C@H](C(=O)C1CCC1)[S@](C)=O 238415115 573483031 /nfs/dbraw/zinc/48/30/31/573483031.db2.gz WEXGBUIQGCBSLJ-KBUNVGBDSA-N 0 0 174.265 1.123 10 0 ADAERN C[C@H](O)CCc1ccc(CCO)cc1 259471305 573483042 /nfs/dbraw/zinc/48/30/42/573483042.db2.gz ODLSXZJXBIYOOT-JTQLQIEISA-N 0 0 194.274 1.535 10 0 ADAERN CO[C@H](c1nccc(=O)[nH]1)C(C)(C)C 124465977 573483060 /nfs/dbraw/zinc/48/30/60/573483060.db2.gz AGAYBQGPDZZHLE-MRVPVSSYSA-N 0 0 196.250 1.504 10 0 ADAERN COC(=O)c1cnc(C)c2c1COC2 259471108 573483082 /nfs/dbraw/zinc/48/30/82/573483082.db2.gz BNPPAULFFPZAPR-UHFFFAOYSA-N 0 0 193.202 1.207 10 0 ADAERN C[C@H](C(=O)C1CCC1)[S@@](C)=O 238415097 573483413 /nfs/dbraw/zinc/48/34/13/573483413.db2.gz WEXGBUIQGCBSLJ-KSBSHMNSSA-N 0 0 174.265 1.123 10 0 ADAERN COC(=O)[C@@](C)(CO)CC(C)C 257818545 573483114 /nfs/dbraw/zinc/48/31/14/573483114.db2.gz FBXNAYSGEIABPG-SECBINFHSA-N 0 0 174.240 1.204 10 0 ADAERN CCC[C@]1(O)CC[C@H](C)OC1 401963017 573483142 /nfs/dbraw/zinc/48/31/42/573483142.db2.gz YYFANZFPIBJQCH-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@H]1C[N@@H+](C2CCC2)C[C@@H]1C(=O)[O-] 83409942 573483416 /nfs/dbraw/zinc/48/34/16/573483416.db2.gz QVHRWVBZFGNBBS-CBAPKCEASA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]1CCC[C@]1(CC(=O)[O-])[NH+](C)C 83408711 573483147 /nfs/dbraw/zinc/48/31/47/573483147.db2.gz AHJONQFEHSBEHT-PSASIEDQSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@]12C=CCC[C@@H](CC1=O)C2=O 238415250 573483151 /nfs/dbraw/zinc/48/31/51/573483151.db2.gz UBDDQCPSGXVNAS-OIBJUYFYSA-N 0 0 164.204 1.501 10 0 ADAERN O=C1CCCN1CC[C@H]1CCC[C@@H]1O 86547615 573483155 /nfs/dbraw/zinc/48/31/55/573483155.db2.gz LLAXMRPMROKUCZ-ZJUUUORDSA-N 0 0 197.278 1.160 10 0 ADAERN C[C@](O)(CO)CCOc1ccccc1 308595153 573483159 /nfs/dbraw/zinc/48/31/59/573483159.db2.gz RKWLEMUWHJCWHV-LLVKDONJSA-N 0 0 196.246 1.199 10 0 ADAERN CC(=O)Nc1nc2c([nH]1)CC[C@@H](C)C2 238414729 573483181 /nfs/dbraw/zinc/48/31/81/573483181.db2.gz QYYJJLYCXZKDEQ-ZCFIWIBFSA-N 0 0 193.250 1.493 10 0 ADAERN CSCc1nc2cc(N)ccn2n1 258678038 573483191 /nfs/dbraw/zinc/48/31/91/573483191.db2.gz YIFMUNGHFQEAKR-UHFFFAOYSA-N 0 0 194.263 1.175 10 0 ADAERN C[C@@]12C=CC[C@@H]1C[C@@]2(C[NH3+])CC(=O)[O-] 238415551 573483196 /nfs/dbraw/zinc/48/31/96/573483196.db2.gz JTHRYXUDOAOOGN-IEBDPFPHSA-N 0 0 195.262 1.392 10 0 ADAERN O=C([O-])C[C@H]1CCC[N@@H+](C2CCC2)C1 83407140 573483204 /nfs/dbraw/zinc/48/32/04/573483204.db2.gz MWUFJCKQEOGLTD-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CCC[C@@]1(O)CC[C@H](C)OC1 401963016 573483226 /nfs/dbraw/zinc/48/32/26/573483226.db2.gz YYFANZFPIBJQCH-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN O[C@H]1CCC[C@H]1CCn1ccnc1 86547597 573483242 /nfs/dbraw/zinc/48/32/42/573483242.db2.gz AWQRYKMGMQDTTP-UWVGGRQHSA-N 0 0 180.251 1.434 10 0 ADAERN CCc1oc(NC)nc1C 258691717 573491490 /nfs/dbraw/zinc/49/14/90/573491490.db2.gz XCJQXKOWZYKABJ-UHFFFAOYSA-N 0 0 140.186 1.587 10 0 ADAERN C[C@H]1C[C@H]1C1=NC(=O)CN1C 235608646 573492057 /nfs/dbraw/zinc/49/20/57/573492057.db2.gz KXCRWOSQEQXFNK-NTSWFWBYSA-N 0 0 152.197 1.249 10 0 ADAERN O=C([O-])[C@H]1CCCC[N@@H+]1C1CCC1 83404265 573483253 /nfs/dbraw/zinc/48/32/53/573483253.db2.gz KKTCUEJRGBOMGU-SECBINFHSA-N 0 0 183.251 1.478 10 0 ADAERN CC[C@H]1NCC(=O)N1CCC(C)(C)C 130193080 573483261 /nfs/dbraw/zinc/48/32/61/573483261.db2.gz ODQLZEHYKYIKFO-VIFPVBQESA-N 0 0 198.310 1.591 10 0 ADAERN CCOC(=O)NC[C@H](C)OCC 126361316 573483265 /nfs/dbraw/zinc/48/32/65/573483265.db2.gz KOBBRHHMLVZQMP-ZETCQYMHSA-N 0 0 175.228 1.158 10 0 ADAERN CO[C@H](C)CN[C@H](C)c1coc(C)n1 308595678 573483456 /nfs/dbraw/zinc/48/34/56/573483456.db2.gz MILAIPDPSWBOCT-HTQZYQBOSA-N 0 0 198.266 1.669 10 0 ADAERN C[C@@H]([NH3+])c1c(F)cnc(F)c1F 238415294 573483280 /nfs/dbraw/zinc/48/32/80/573483280.db2.gz ZLMOMQUURYEZMF-GSVOUGTGSA-N 0 0 176.141 1.519 10 0 ADAERN CC(=O)c1nc(N)cc(CC(C)C)n1 74247963 573483283 /nfs/dbraw/zinc/48/32/83/573483283.db2.gz FBSHQVYQSXSRIQ-UHFFFAOYSA-N 0 0 193.250 1.460 10 0 ADAERN CC(C)[C@@H](O)[C@@H](CO)c1ccccc1 308595710 573483313 /nfs/dbraw/zinc/48/33/13/573483313.db2.gz RSMHVERIZOOMPA-NWDGAFQWSA-N 0 0 194.274 1.779 10 0 ADAERN NO[C@H](CCO)C1CCCCCC1 257819546 573483325 /nfs/dbraw/zinc/48/33/25/573483325.db2.gz FIGZMJBLSORKQJ-SNVBAGLBSA-N 0 0 187.283 1.598 10 0 ADAERN C[C@H]1CCC[C@@H]1[N@H+](C)CC(=O)[O-] 83403713 573483336 /nfs/dbraw/zinc/48/33/36/573483336.db2.gz XBAVFPYDDVTDPP-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)[C@@H]1O[C@@H](C)C1(C)C 238415615 573483342 /nfs/dbraw/zinc/48/33/42/573483342.db2.gz IBWMLRUQBJLDPE-BQBZGAKWSA-N 0 0 142.198 1.389 10 0 ADAERN CSCC[C@H](C)[NH2+]CCC(=O)[O-] 130141936 573483430 /nfs/dbraw/zinc/48/34/30/573483430.db2.gz FYCRUFAZLRUIAX-ZETCQYMHSA-N 0 0 191.296 1.192 10 0 ADAERN C[C@H]1CCC/C1=C1\CC(=O)NC1=O 83397250 573483349 /nfs/dbraw/zinc/48/33/49/573483349.db2.gz WZIZHRMRWJVFAJ-WXIAHEHCSA-N 0 0 179.219 1.150 10 0 ADAERN C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)[O-])[C@@H]1C 83403480 573483356 /nfs/dbraw/zinc/48/33/56/573483356.db2.gz HBGAWVVIYLAUDP-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN CC(C)c1n[nH]c2c1C(=O)CC2 107296864 573483374 /nfs/dbraw/zinc/48/33/74/573483374.db2.gz WYWKQGULSQQISC-UHFFFAOYSA-N 0 0 164.208 1.662 10 0 ADAERN Cc1c([C@H](O)C(C)(C)C)cnn1C 86552542 573483379 /nfs/dbraw/zinc/48/33/79/573483379.db2.gz IDJNLMPCVWSRCF-VIFPVBQESA-N 0 0 182.267 1.808 10 0 ADAERN C[C@@](O)(CO)CCOc1ccccc1 308595154 573483381 /nfs/dbraw/zinc/48/33/81/573483381.db2.gz RKWLEMUWHJCWHV-NSHDSACASA-N 0 0 196.246 1.199 10 0 ADAERN CO[C@@H](CO)CCc1ccc(C)cc1 257818937 573483394 /nfs/dbraw/zinc/48/33/94/573483394.db2.gz FGKCXFCNPCLAFA-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN C[C@@]1(C(F)(F)F)[C@H]2C(=O)OC[C@H]21 257819002 573485021 /nfs/dbraw/zinc/48/50/21/573485021.db2.gz FELOGISXCSTQGJ-KODRXGBYSA-N 0 0 180.125 1.358 10 0 ADAERN Cc1cnn(CC[C@H]2CCC[C@H]2O)c1 86547660 573484954 /nfs/dbraw/zinc/48/49/54/573484954.db2.gz GOHBYRPOZONONA-GHMZBOCLSA-N 0 0 194.278 1.743 10 0 ADAERN C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)[O-])C1 83403543 573484961 /nfs/dbraw/zinc/48/49/61/573484961.db2.gz BTPONTHSVOOROS-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1ccc(CC2(O)CC2)c(O)c1 258046038 573484963 /nfs/dbraw/zinc/48/49/63/573484963.db2.gz QRJKUQXNUHRRGD-UHFFFAOYSA-N 0 0 178.231 1.768 10 0 ADAERN COc1c(C)cccc1CCCO 258046092 573484972 /nfs/dbraw/zinc/48/49/72/573484972.db2.gz QSVZKSZNDOSPOJ-UHFFFAOYSA-N 0 0 180.247 1.929 10 0 ADAERN O=c1nc(-c2ccccc2)c(F)c[nH]1 236279073 573484426 /nfs/dbraw/zinc/48/44/26/573484426.db2.gz ITKHTUVQJGGPJC-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN CC(C)[NH2+]Cc1ncc2ccccn12 259612719 573484428 /nfs/dbraw/zinc/48/44/28/573484428.db2.gz VVGKLRHSDHCVBN-UHFFFAOYSA-N 0 0 189.262 1.832 10 0 ADAERN C[C@@H]1CC(=O)[C@@H]2CC[C@H]12 238414650 573484443 /nfs/dbraw/zinc/48/44/43/573484443.db2.gz BGVHFGMQMJKLDY-FSDSQADBSA-N 0 0 124.183 1.622 10 0 ADAERN CCC[C@@H]([NH2+]C)[C@@H](C)CC(=O)[O-] 259471877 573484471 /nfs/dbraw/zinc/48/44/71/573484471.db2.gz QCPBBMFQXOMPQR-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN CC(C)CC1(C(C)(C)O)COC1 258497626 573484507 /nfs/dbraw/zinc/48/45/07/573484507.db2.gz DLDWYKBVXNJDDN-UHFFFAOYSA-N 0 0 172.268 1.820 10 0 ADAERN CC[C@@](C)(OC)c1nccc(F)n1 689962604 573484514 /nfs/dbraw/zinc/48/45/14/573484514.db2.gz HMBYDIQSQDWRKZ-SECBINFHSA-N 0 0 184.214 1.887 10 0 ADAERN C[C@H]1CCC[C@@]12CC(=O)N2 83397397 573484541 /nfs/dbraw/zinc/48/45/41/573484541.db2.gz SZGJCYGKUCOPNQ-POYBYMJQSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@H](O)[C@@H](O)c1ccsc1 235604898 573484581 /nfs/dbraw/zinc/48/45/81/573484581.db2.gz IJYTVEISIYNDNF-CAHLUQPWSA-N 0 0 158.222 1.162 10 0 ADAERN C[NH2+][C@H](c1cc[nH]c1)[C@@H](C)CC(=O)[O-] 259106931 573484586 /nfs/dbraw/zinc/48/45/86/573484586.db2.gz APXJTWSFPFQCLV-XVKPBYJWSA-N 0 0 196.250 1.386 10 0 ADAERN CCCC[C@@H](CC[C@@H](C)OC)NN 130143676 573484597 /nfs/dbraw/zinc/48/45/97/573484597.db2.gz LRLQOOSCKDDPHM-ZJUUUORDSA-N 0 0 188.315 1.824 10 0 ADAERN C[C@@H]1CC(=O)[C@@H]2[C@@H](O)CCC[C@@H]21 238414834 573484600 /nfs/dbraw/zinc/48/46/00/573484600.db2.gz LBTOKXFCKVEKMH-ODXREFDESA-N 0 0 168.236 1.373 10 0 ADAERN Cc1c(-c2noc(Cl)n2)cnn1C 86552757 573484625 /nfs/dbraw/zinc/48/46/25/573484625.db2.gz BDOWFAZOEHIMFL-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN Cc1cnc2c(N)c(C)ccc2n1 259469486 573484647 /nfs/dbraw/zinc/48/46/47/573484647.db2.gz NQVJPMLIPUVBHL-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN C[C@@H]1CCC[C@@H]1[C@@H]1CC(=O)NC1=O 83397264 573484675 /nfs/dbraw/zinc/48/46/75/573484675.db2.gz IBXSWYPTLBGHSH-CSMHCCOUSA-N 0 0 181.235 1.085 10 0 ADAERN Cc1[nH]c(=O)c(N)c(C)c1Cl 257818932 573484686 /nfs/dbraw/zinc/48/46/86/573484686.db2.gz FDJNETCWUMIBKI-UHFFFAOYSA-N 0 0 172.615 1.640 10 0 ADAERN NOCCc1cccc2c1CCO2 258046060 573484687 /nfs/dbraw/zinc/48/46/87/573484687.db2.gz QRUZFRDPQGKLRY-UHFFFAOYSA-N 0 0 179.219 1.054 10 0 ADAERN CN1N[C@@H](c2ccc(F)cc2)CC1=O 257818894 573484695 /nfs/dbraw/zinc/48/46/95/573484695.db2.gz FFMOHHYPGCDDFC-SECBINFHSA-N 0 0 194.209 1.234 10 0 ADAERN Nc1cccc(C[C@H]2CCOC2)c1 257818517 573484733 /nfs/dbraw/zinc/48/47/33/573484733.db2.gz FBGQRQXPONFKGD-SNVBAGLBSA-N 0 0 177.247 1.848 10 0 ADAERN CCCO[C@@H](O)c1ccccn1 238246357 573484987 /nfs/dbraw/zinc/48/49/87/573484987.db2.gz NAWBIGPFDMAYSY-SECBINFHSA-N 0 0 167.208 1.499 10 0 ADAERN COC(=O)c1cn2c(F)cccc2n1 238415472 573484778 /nfs/dbraw/zinc/48/47/78/573484778.db2.gz IIDBIWNARXVQOJ-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN CCC[C@@H]([NH2+]C)[C@H](C)CC(=O)[O-] 259471875 573484782 /nfs/dbraw/zinc/48/47/82/573484782.db2.gz QCPBBMFQXOMPQR-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H]1C[C@]1(C)c1nccnc1NN 714699148 573484791 /nfs/dbraw/zinc/48/47/91/573484791.db2.gz PNMJYPGVSKCVAE-RCOVLWMOSA-N 0 0 178.239 1.060 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cnn(C)c1C 86552716 573484797 /nfs/dbraw/zinc/48/47/97/573484797.db2.gz FKVSKWTTWPIXDC-XCBNKYQSSA-N 0 0 182.267 1.808 10 0 ADAERN CCCC[C@H](CC[C@@H](C)OC)NN 130143861 573484805 /nfs/dbraw/zinc/48/48/05/573484805.db2.gz LRLQOOSCKDDPHM-NXEZZACHSA-N 0 0 188.315 1.824 10 0 ADAERN C[C@@H]1CCC[C@@]12CC(=O)CCO2 83396970 573484812 /nfs/dbraw/zinc/48/48/12/573484812.db2.gz GSNPDCAQQANTBS-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN COC(=O)c1cn(C2CCC2)cn1 238414967 573484820 /nfs/dbraw/zinc/48/48/20/573484820.db2.gz FYFFWVPKYDHZFH-UHFFFAOYSA-N 0 0 180.207 1.395 10 0 ADAERN COC(=O)c1cc(C)nc2c1COC2 259469839 573484931 /nfs/dbraw/zinc/48/49/31/573484931.db2.gz BGPZUFHOGABLMR-UHFFFAOYSA-N 0 0 193.202 1.207 10 0 ADAERN COC(=O)C[C@H]1CCc2ncoc2C1 259471104 573484821 /nfs/dbraw/zinc/48/48/21/573484821.db2.gz BNOQNCMWJQJBCC-ZETCQYMHSA-N 0 0 195.218 1.343 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cnn(C)c1C 86552470 573484824 /nfs/dbraw/zinc/48/48/24/573484824.db2.gz PUHCEZNCRSEWIX-RKDXNWHRSA-N 0 0 178.235 1.421 10 0 ADAERN CO[C@]1(C)SCCCS[C@H]1O 238415580 573484834 /nfs/dbraw/zinc/48/48/34/573484834.db2.gz GWIKGVVYJXFZFX-RNFRBKRXSA-N 0 0 194.321 1.538 10 0 ADAERN O[C@H]1CCC[C@@H]1CCn1cccn1 86547626 573484858 /nfs/dbraw/zinc/48/48/58/573484858.db2.gz IFWQQHLKPQEGEH-ZJUUUORDSA-N 0 0 180.251 1.434 10 0 ADAERN C[C@@]12C(=O)N[C@H]1C=Cc1ccccc12 223116861 573484860 /nfs/dbraw/zinc/48/48/60/573484860.db2.gz IUJYYCXMXXOYTL-JQWIXIFHSA-N 0 0 185.226 1.470 10 0 ADAERN CCc1nn(C)c2c1C(=O)CC2 107296839 573484861 /nfs/dbraw/zinc/48/48/61/573484861.db2.gz KGDWRSGGOLQSAY-UHFFFAOYSA-N 0 0 164.208 1.111 10 0 ADAERN OCCc1ccccc1OC1CC1 258045982 573484865 /nfs/dbraw/zinc/48/48/65/573484865.db2.gz QQAOXSFAJWUCIX-UHFFFAOYSA-N 0 0 178.231 1.763 10 0 ADAERN C[C@@H]1CC[C@@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 83408865 573484867 /nfs/dbraw/zinc/48/48/67/573484867.db2.gz XJIUJKNFLZGXBN-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN CCCC[C@@H](CC[C@H](C)OC)NN 130144102 573484888 /nfs/dbraw/zinc/48/48/88/573484888.db2.gz LRLQOOSCKDDPHM-UWVGGRQHSA-N 0 0 188.315 1.824 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 83409789 573484902 /nfs/dbraw/zinc/48/49/02/573484902.db2.gz VLAVQNGUZQARDG-GUBZILKMSA-N 0 0 199.294 1.683 10 0 ADAERN COC(=O)c1oc2sncc2c1N 259470955 573484906 /nfs/dbraw/zinc/48/49/06/573484906.db2.gz YVJVHUISFMWVBM-UHFFFAOYSA-N 0 0 198.203 1.258 10 0 ADAERN C[C@@H]1CCC[C@H]1[N@H+](C)C(C)(C)C(=O)[O-] 83409075 573484908 /nfs/dbraw/zinc/48/49/08/573484908.db2.gz CZSUPINTLYCPMB-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN C[N@@H+]1CCC[C@@H]([C@@]2(C)C[C@@H]2C(=O)[O-])C1 259106719 573485008 /nfs/dbraw/zinc/48/50/08/573485008.db2.gz FBCCXIFXCPSSKX-FXPVBKGRSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@@H]1C[C@@H](C(F)(F)F)C(=O)N1 238416653 573487354 /nfs/dbraw/zinc/48/73/54/573487354.db2.gz BDTKHOXUHPVDQX-QWWZWVQMSA-N 0 0 167.130 1.073 10 0 ADAERN Cn1ccc(Cn2cccc2)n1 124471560 573487685 /nfs/dbraw/zinc/48/76/85/573487685.db2.gz XMBHWFAYGHMBHY-UHFFFAOYSA-N 0 0 161.208 1.270 10 0 ADAERN C[C@H](O)c1ncc2cc(O)ccn12 257820210 573487463 /nfs/dbraw/zinc/48/74/63/573487463.db2.gz FOVIFQTUPSJVET-LURJTMIESA-N 0 0 178.191 1.093 10 0 ADAERN C[C@@H](O)c1ccc(N(C)C)cc1O 86569753 573487469 /nfs/dbraw/zinc/48/74/69/573487469.db2.gz GYQPKNKGZYWQAF-SSDOTTSWSA-N 0 0 181.235 1.512 10 0 ADAERN CCCc1cc(NC(=O)OC)no1 197361129 573488887 /nfs/dbraw/zinc/48/88/87/573488887.db2.gz OIVNEHNSTWBJLL-UHFFFAOYSA-N 0 0 184.195 1.805 10 0 ADAERN C[C@H](CCCO)O[C@@H]1CCCCO1 145674372 573488909 /nfs/dbraw/zinc/48/89/09/573488909.db2.gz UMPQCUYZAKUHHG-NXEZZACHSA-N 0 0 188.267 1.691 10 0 ADAERN CC(=O)Nc1ccc2c(c1)O[C@H](C)C2 238406575 573488888 /nfs/dbraw/zinc/48/88/88/573488888.db2.gz AYULMDCVUPNILM-SSDOTTSWSA-N 0 0 191.230 1.968 10 0 ADAERN C[C@H]1CCC[C@@H]1[NH+]1CC(CC(=O)[O-])C1 83417090 573488894 /nfs/dbraw/zinc/48/88/94/573488894.db2.gz AXXICFDQXVXBSL-WPRPVWTQSA-N 0 0 197.278 1.582 10 0 ADAERN COc1ccc(CON)c(F)c1 75119010 573488897 /nfs/dbraw/zinc/48/88/97/573488897.db2.gz HAYLNRWMKPEQEE-UHFFFAOYSA-N 0 0 171.171 1.225 10 0 ADAERN CC(=O)[C@H](C)[C@@]1(C)CCCC1=O 238416506 573488901 /nfs/dbraw/zinc/48/89/01/573488901.db2.gz DCPRYRMGTAFKMR-OIBJUYFYSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1cc(CCON)cc(O)c1F 258039338 573489393 /nfs/dbraw/zinc/48/93/93/573489393.db2.gz JTAWSKRFSHFTGE-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN CC1(C(=O)[O-])CC[NH+](C2CCC2)CC1 83411844 573489549 /nfs/dbraw/zinc/48/95/49/573489549.db2.gz RHZJULRMMLXBIC-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN COc1ccnc(OC)c1F 75118880 573486762 /nfs/dbraw/zinc/48/67/62/573486762.db2.gz AAZLIPFAKCDHPH-UHFFFAOYSA-N 0 0 157.144 1.238 10 0 ADAERN CN(CCC1CCCC1)C(=O)C=O 258679155 573489932 /nfs/dbraw/zinc/48/99/32/573489932.db2.gz KUCSWZLBAQGENY-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1c(CNn2cccc2)cnn1C 86552185 573486649 /nfs/dbraw/zinc/48/66/49/573486649.db2.gz FLHMQDPSZUWWBR-UHFFFAOYSA-N 0 0 190.250 1.274 10 0 ADAERN CCC[C@H]([NH2+]C)[C@H](C)CC(=O)[O-] 259471879 573486659 /nfs/dbraw/zinc/48/66/59/573486659.db2.gz QCPBBMFQXOMPQR-SFYZADRCSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H](CO)N(C)c1ccnc(F)c1 124473260 573486682 /nfs/dbraw/zinc/48/66/82/573486682.db2.gz VNDJLZXFPDUKPU-SSDOTTSWSA-N 0 0 184.214 1.038 10 0 ADAERN CCc1nc(C)nc(Cl)c1C=O 75119325 573486684 /nfs/dbraw/zinc/48/66/84/573486684.db2.gz IUDKNIQLPCBTRL-UHFFFAOYSA-N 0 0 184.626 1.813 10 0 ADAERN Cc1ccn(CC[C@H]2CCCC2=O)n1 86531470 573486686 /nfs/dbraw/zinc/48/66/86/573486686.db2.gz BKHHRKUEYDXZAC-SNVBAGLBSA-N 0 0 192.262 1.951 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCC[C@H]1C 83407039 573486707 /nfs/dbraw/zinc/48/67/07/573486707.db2.gz VLILJPOSZIVTNA-HRDYMLBCSA-N 0 0 185.267 1.580 10 0 ADAERN COC(=O)Cc1occc1SC 259468315 573486708 /nfs/dbraw/zinc/48/67/08/573486708.db2.gz BBFVJCRTIPJXIO-UHFFFAOYSA-N 0 0 186.232 1.717 10 0 ADAERN C[C@H]1CC[C@]2(CCCC2=O)C1=O 223103197 573486716 /nfs/dbraw/zinc/48/67/16/573486716.db2.gz QAYKQWONPIVJHB-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@H]1CCC[C@]12CC(=O)N2 83397402 573486719 /nfs/dbraw/zinc/48/67/19/573486719.db2.gz SZGJCYGKUCOPNQ-XPUUQOCRSA-N 0 0 139.198 1.065 10 0 ADAERN c1cc2c(s1)N1CCOC[C@@H]1CN2 75123161 573486720 /nfs/dbraw/zinc/48/67/20/573486720.db2.gz HOABHEJIKVUFAM-ZETCQYMHSA-N 0 0 196.275 1.379 10 0 ADAERN O=C([O-])C[C@H]1CCCC[N@@H+]1C1CCC1 83411385 573489407 /nfs/dbraw/zinc/48/94/07/573489407.db2.gz KUUYSDBEYPETNV-SNVBAGLBSA-N 0 0 197.278 1.868 10 0 ADAERN C[C@@H]1CCC[C@]12CC(=O)N2 83397400 573486738 /nfs/dbraw/zinc/48/67/38/573486738.db2.gz SZGJCYGKUCOPNQ-SVRRBLITSA-N 0 0 139.198 1.065 10 0 ADAERN CC(=O)NCC(C)(C)c1ccc[nH]1 258675767 573486756 /nfs/dbraw/zinc/48/67/56/573486756.db2.gz DHJTULNJMQDEQW-UHFFFAOYSA-N 0 0 180.251 1.428 10 0 ADAERN CC(=O)[C@H](C)[C@]1(C)CCCC1=O 238416919 573486758 /nfs/dbraw/zinc/48/67/58/573486758.db2.gz DCPRYRMGTAFKMR-XVKPBYJWSA-N 0 0 168.236 1.971 10 0 ADAERN C[NH2+][C@H](c1cc[nH]c1)[C@H](C)CC(=O)[O-] 259106927 573486760 /nfs/dbraw/zinc/48/67/60/573486760.db2.gz APXJTWSFPFQCLV-XCBNKYQSSA-N 0 0 196.250 1.386 10 0 ADAERN Cc1c(CNc2cn[nH]c2)cnn1C 86551934 573486772 /nfs/dbraw/zinc/48/67/72/573486772.db2.gz WCAUHPZGLOKUHZ-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN Cc1cnn(CC[C@@H]2CCC[C@H]2O)c1 86547659 573486781 /nfs/dbraw/zinc/48/67/81/573486781.db2.gz GOHBYRPOZONONA-WDEREUQCSA-N 0 0 194.278 1.743 10 0 ADAERN C[C@@H]1Cc2ccc(N)cc2[C@@H]1O 238406546 573486794 /nfs/dbraw/zinc/48/67/94/573486794.db2.gz PZAYALFXPZTACY-LHLIQPBNSA-N 0 0 163.220 1.494 10 0 ADAERN CN1CC[C@H](c2cccs2)C(=O)C1 258675333 573486798 /nfs/dbraw/zinc/48/67/98/573486798.db2.gz VSQGHFFCMRAMSG-QMMMGPOBSA-N 0 0 195.287 1.736 10 0 ADAERN NOCCc1ccc(CCCO)cc1 259471360 573486804 /nfs/dbraw/zinc/48/68/04/573486804.db2.gz ODQPZMOSSKAKEA-UHFFFAOYSA-N 0 0 195.262 1.044 10 0 ADAERN CC(C)(C)CCN1C[C@@H](CO)CC1=O 130151551 573486808 /nfs/dbraw/zinc/48/68/08/573486808.db2.gz MOERCJVPWHVADY-VIFPVBQESA-N 0 0 199.294 1.263 10 0 ADAERN C[C@H](O)C(=Cc1ccccc1)[C@@H](C)O 238416056 573486814 /nfs/dbraw/zinc/48/68/14/573486814.db2.gz BHLFSZWZSJGHCE-AOOOYVTPSA-N 0 0 192.258 1.832 10 0 ADAERN O=Cc1n[nH]c2c1C(F)(F)CC2 257820189 573486831 /nfs/dbraw/zinc/48/68/31/573486831.db2.gz FNLGLRVAWIVKAP-UHFFFAOYSA-N 0 0 172.134 1.260 10 0 ADAERN C[C@@H](CC1=NC(C)(C)CO1)[C@@H](C)O 238406368 573486844 /nfs/dbraw/zinc/48/68/44/573486844.db2.gz YYONLGCQTPBRFM-JGVFFNPUSA-N 0 0 185.267 1.601 10 0 ADAERN COC(=O)[C@H]1Cc2occc2C12CC2 259469733 573486845 /nfs/dbraw/zinc/48/68/45/573486845.db2.gz BCYHGVLDZFAFHJ-MRVPVSSYSA-N 0 0 192.214 1.657 10 0 ADAERN CCCO[C@@H](C)OCC(C)=O 238245305 573486857 /nfs/dbraw/zinc/48/68/57/573486857.db2.gz PAUQHUQUEHQBHN-MRVPVSSYSA-N 0 0 160.213 1.365 10 0 ADAERN O=C1OCCCN1c1cccc(O)c1 257820088 573486879 /nfs/dbraw/zinc/48/68/79/573486879.db2.gz FQCBEXXZKUHJPF-UHFFFAOYSA-N 0 0 193.202 1.739 10 0 ADAERN COc1cnc(CO)cc1C(F)F 238406333 573486885 /nfs/dbraw/zinc/48/68/85/573486885.db2.gz KMWKGFLTMWXZMW-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN OCC1(CNc2ccccc2)CC1 258674401 573486892 /nfs/dbraw/zinc/48/68/92/573486892.db2.gz OSLSIZCZBYZQKN-UHFFFAOYSA-N 0 0 177.247 1.871 10 0 ADAERN Cc1ccc2c(c1O)NCC2 211842975 573486894 /nfs/dbraw/zinc/48/68/94/573486894.db2.gz SLBISNNCFKLGDI-UHFFFAOYSA-N 0 0 149.193 1.669 10 0 ADAERN CC1(C)Nc2cccc(F)c2NC1=O 75121413 573486897 /nfs/dbraw/zinc/48/68/97/573486897.db2.gz RCOLUTVPNUZUOZ-UHFFFAOYSA-N 0 0 194.209 1.968 10 0 ADAERN COC(=O)C[C@@H]1CCc2ncoc2C1 259471101 573486904 /nfs/dbraw/zinc/48/69/04/573486904.db2.gz BNOQNCMWJQJBCC-SSDOTTSWSA-N 0 0 195.218 1.343 10 0 ADAERN CC(=O)c1nc(C2CCOCC2)c[nH]1 259106571 573486905 /nfs/dbraw/zinc/48/69/05/573486905.db2.gz OQCSDTPLPFJPOH-UHFFFAOYSA-N 0 0 194.234 1.506 10 0 ADAERN C[C@H](F)c1cc(CON)ccc1O 258039193 573486909 /nfs/dbraw/zinc/48/69/09/573486909.db2.gz JQKCSSVWKHMARP-LURJTMIESA-N 0 0 185.198 1.813 10 0 ADAERN C[C@H]1CCC[C@H]1[N@H+](C)C(C)(C)C(=O)[O-] 83409079 573486910 /nfs/dbraw/zinc/48/69/10/573486910.db2.gz CZSUPINTLYCPMB-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1cn(C)c(=O)c2c(N)cccc12 258039954 573486918 /nfs/dbraw/zinc/48/69/18/573486918.db2.gz GNHNYGYGALIDEM-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN CCOC(=O)C[C@@H]1CC[C@@H](O)C1 238248413 573486939 /nfs/dbraw/zinc/48/69/39/573486939.db2.gz WJNRQNDTZCXQCZ-HTQZYQBOSA-N 0 0 172.224 1.101 10 0 ADAERN C[C@@H]1CCC[C@H]1[N@H+](C)CCC(=O)[O-] 83410618 573486940 /nfs/dbraw/zinc/48/69/40/573486940.db2.gz FWPICARTDPKXDR-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1OC(C)(C)C(=O)[C@H]1C 238406536 573486950 /nfs/dbraw/zinc/48/69/50/573486950.db2.gz BPEQPNOXXVWGMF-WDSKDSINSA-N 0 0 142.198 1.389 10 0 ADAERN O=CC1=NO[C@@H](c2ccccc2O)C1 257820157 573486969 /nfs/dbraw/zinc/48/69/69/573486969.db2.gz FRLVYPNAEMHLMT-SNVBAGLBSA-N 0 0 191.186 1.409 10 0 ADAERN CC[C@H](C[NH2+]CC1CCC1)C(=O)[O-] 259106361 573486975 /nfs/dbraw/zinc/48/69/75/573486975.db2.gz XIVCTPZFJNFHOH-SECBINFHSA-N 0 0 185.267 1.487 10 0 ADAERN O=C1Cc2ccc3cccnc3c2N1 86569794 573487342 /nfs/dbraw/zinc/48/73/42/573487342.db2.gz ZFMFVZQINDORPG-UHFFFAOYSA-N 0 0 184.198 1.729 10 0 ADAERN CSC1N[C@H]2CCCC[C@@H]2N1 238416484 573486988 /nfs/dbraw/zinc/48/69/88/573486988.db2.gz ULQUHDXPNGCCMR-BQBZGAKWSA-N 0 0 172.297 1.137 10 0 ADAERN Cc1noc2ccc(CON)cc12 258039684 573487013 /nfs/dbraw/zinc/48/70/13/573487013.db2.gz QABJOBLFENZLJJ-UHFFFAOYSA-N 0 0 178.191 1.527 10 0 ADAERN O=C([O-])[C@@H]1CCCC[N@@H+]1C1CCC1 83404263 573487018 /nfs/dbraw/zinc/48/70/18/573487018.db2.gz KKTCUEJRGBOMGU-VIFPVBQESA-N 0 0 183.251 1.478 10 0 ADAERN CC[C@H]1CC(=O)N(C2CCCCC2)N1 257820118 573487022 /nfs/dbraw/zinc/48/70/22/573487022.db2.gz FQQLXDDCCGWDIN-VIFPVBQESA-N 0 0 196.294 1.835 10 0 ADAERN CC(C)c1noc2c1C(=O)CC2 107296812 573487027 /nfs/dbraw/zinc/48/70/27/573487027.db2.gz PDCOHPZRZNIAAF-UHFFFAOYSA-N 0 0 165.192 1.927 10 0 ADAERN COc1cnc(Cl)c(C(C)=O)c1 238406492 573487029 /nfs/dbraw/zinc/48/70/29/573487029.db2.gz JULFOIOGXVYOSL-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN c1ncc(N[C@@H]2CCCSC2)cn1 75122698 573487031 /nfs/dbraw/zinc/48/70/31/573487031.db2.gz NXEXOSITDVXQAV-MRVPVSSYSA-N 0 0 195.291 1.784 10 0 ADAERN CP[C@H](O)c1ccccc1 238416068 573487345 /nfs/dbraw/zinc/48/73/45/573487345.db2.gz KYQZZVWEUVLSDA-QMMMGPOBSA-N 0 0 154.149 1.986 10 0 ADAERN COC(=O)c1cnc(C)c2c1CCC2 259468415 573487042 /nfs/dbraw/zinc/48/70/42/573487042.db2.gz BCSRQNCJITWUKE-UHFFFAOYSA-N 0 0 191.230 1.665 10 0 ADAERN C[C@@]1(c2nc(C=O)c[nH]2)CCSC1 258039852 573487053 /nfs/dbraw/zinc/48/70/53/573487053.db2.gz JEMLBQBJXJXXFW-SECBINFHSA-N 0 0 196.275 1.617 10 0 ADAERN C[C@H]1CC[C@@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 83408869 573487084 /nfs/dbraw/zinc/48/70/84/573487084.db2.gz XJIUJKNFLZGXBN-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H]1CCc2ccc(C(N)=O)cc2N1 238417005 573487093 /nfs/dbraw/zinc/48/70/93/573487093.db2.gz GJPNGHVYLZIVAE-SSDOTTSWSA-N 0 0 190.246 1.532 10 0 ADAERN C[C@@H]1CCC[C@]12C[C@H](O)CCO2 83396957 573487097 /nfs/dbraw/zinc/48/70/97/573487097.db2.gz YQTOMKOFFOWRNU-BBBLOLIVSA-N 0 0 170.252 1.717 10 0 ADAERN COc1ncc(C(F)F)cc1O 238406327 573489411 /nfs/dbraw/zinc/48/94/11/573489411.db2.gz IEEFQNPABVEJTP-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN CC(C)c1nc(N)c2c(n1)COCC2 74248008 573487102 /nfs/dbraw/zinc/48/71/02/573487102.db2.gz RLOHZOVUXWEEJG-UHFFFAOYSA-N 0 0 193.250 1.255 10 0 ADAERN Cn1cc(CON)c2ccc(F)cc21 258038590 573487122 /nfs/dbraw/zinc/48/71/22/573487122.db2.gz FAKXZXBAWLKVHC-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN c1cc2c(cc1NC1COC1)OCO2 75120647 573487133 /nfs/dbraw/zinc/48/71/33/573487133.db2.gz ILZITDNOFBQJKF-UHFFFAOYSA-N 0 0 193.202 1.226 10 0 ADAERN c1cc(-c2cc(NC3CC3)n[nH]2)c[nH]1 259106899 573487134 /nfs/dbraw/zinc/48/71/34/573487134.db2.gz HSCHDPSTDLFPDY-UHFFFAOYSA-N 0 0 188.234 1.979 10 0 ADAERN OC1(c2ccc3cnoc3c2)CC1 258039707 573487143 /nfs/dbraw/zinc/48/71/43/573487143.db2.gz QAWFCFBWSYURDH-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN CSC(=S)Cn1ccnc1 238406472 573487164 /nfs/dbraw/zinc/48/71/64/573487164.db2.gz ODWMGAYSHUUIHD-UHFFFAOYSA-N 0 0 172.278 1.574 10 0 ADAERN Nc1onc(Cl)c1C(F)(F)F 257820137 573487171 /nfs/dbraw/zinc/48/71/71/573487171.db2.gz FMAYHDBIXMENLW-UHFFFAOYSA-N 0 0 186.520 1.929 10 0 ADAERN COc1cccn2nc(C(C)C)nc12 258038316 573487189 /nfs/dbraw/zinc/48/71/89/573487189.db2.gz SDIKGMQZBXTRMS-UHFFFAOYSA-N 0 0 191.234 1.861 10 0 ADAERN COc1ccc(F)c(CON)c1C 258039356 573487196 /nfs/dbraw/zinc/48/71/96/573487196.db2.gz JTDXSHYUUMIUNQ-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN CCOC(=O)[C@@H](C)Cc1ccc[nH]1 259471052 573487227 /nfs/dbraw/zinc/48/72/27/573487227.db2.gz BLWSAKPYLYBSDM-QMMMGPOBSA-N 0 0 181.235 1.756 10 0 ADAERN C[C@@H](O)C(=N)OC1CCCCC1 238416098 573487312 /nfs/dbraw/zinc/48/73/12/573487312.db2.gz IRNNXDNSHCDGGN-SSDOTTSWSA-N 0 0 171.240 1.694 10 0 ADAERN CC1=CC[C@H](C(N)=O)C[C@@H](C)C1 238416710 573487321 /nfs/dbraw/zinc/48/73/21/573487321.db2.gz WAUPGKMCWHMORR-IUCAKERBSA-N 0 0 167.252 1.854 10 0 ADAERN OCCCc1ccc(O)c(F)c1F 258039200 573487261 /nfs/dbraw/zinc/48/72/61/573487261.db2.gz JQOGBJPYCCOOKT-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN COC(=O)C[C@H]1CCc2cnoc2C1 259471164 573487281 /nfs/dbraw/zinc/48/72/81/573487281.db2.gz BORRHXMMMHFSDU-ZETCQYMHSA-N 0 0 195.218 1.343 10 0 ADAERN C[C@@H]1CC(=O)[C@H]2C=CC[C@@H]12 238416386 573487284 /nfs/dbraw/zinc/48/72/84/573487284.db2.gz ZAWWWBRFLNZFQS-CSMHCCOUSA-N 0 0 136.194 1.788 10 0 ADAERN O=CC1=NO[C@H](c2ccccc2O)C1 257820155 573487309 /nfs/dbraw/zinc/48/73/09/573487309.db2.gz FRLVYPNAEMHLMT-JTQLQIEISA-N 0 0 191.186 1.409 10 0 ADAERN C[C@@H]1NC(=O)[C@@]2(c3cccs3)C[C@@H]12 238416991 573487373 /nfs/dbraw/zinc/48/73/73/573487373.db2.gz CGTHADTUEODRDP-BYULHYEWSA-N 0 0 193.271 1.524 10 0 ADAERN CC[NH2+]C[C@@H](C(=O)[O-])C1CCCCC1 238253553 573487401 /nfs/dbraw/zinc/48/74/01/573487401.db2.gz TWIWMROYKJIUNJ-SNVBAGLBSA-N 0 0 199.294 1.877 10 0 ADAERN CCn1oc(=O)c2cc(C=O)ccc21 257820145 573487403 /nfs/dbraw/zinc/48/74/03/573487403.db2.gz FRHDPBDRYURFQX-UHFFFAOYSA-N 0 0 191.186 1.427 10 0 ADAERN COC(=O)c1scc2c1CNC2 259612251 573487416 /nfs/dbraw/zinc/48/74/16/573487416.db2.gz DYZZSEUVTXXITC-UHFFFAOYSA-N 0 0 183.232 1.138 10 0 ADAERN Nc1c(F)cccc1CCCCO 257820117 573487423 /nfs/dbraw/zinc/48/74/23/573487423.db2.gz FLPNHIBYNBJWMK-UHFFFAOYSA-N 0 0 183.226 1.723 10 0 ADAERN C/C=C\CC[NH2+]Cc1ncccc1[O-] 308593331 573487426 /nfs/dbraw/zinc/48/74/26/573487426.db2.gz LEPSLPYNIJAHKC-IHWYPQMZSA-N 0 0 192.262 1.843 10 0 ADAERN C[C@]1(c2nc(C=O)c[nH]2)CCSC1 258039853 573487437 /nfs/dbraw/zinc/48/74/37/573487437.db2.gz JEMLBQBJXJXXFW-VIFPVBQESA-N 0 0 196.275 1.617 10 0 ADAERN COc1cccc(N2CC[C@H](O)C2)c1 75120900 573487439 /nfs/dbraw/zinc/48/74/39/573487439.db2.gz QQGBKPGEBJUWFJ-JTQLQIEISA-N 0 0 193.246 1.266 10 0 ADAERN COC(=O)Cc1ccn2nccc2c1 259468288 573487444 /nfs/dbraw/zinc/48/74/44/573487444.db2.gz BAXMGCVWBJTLHV-UHFFFAOYSA-N 0 0 190.202 1.050 10 0 ADAERN C[C@@H](O)C(=Cc1ccccc1)[C@@H](C)O 238416041 573487445 /nfs/dbraw/zinc/48/74/45/573487445.db2.gz BHLFSZWZSJGHCE-NXEZZACHSA-N 0 0 192.258 1.832 10 0 ADAERN COc1c(C=O)n(C)c2ccccc12 75119392 573487484 /nfs/dbraw/zinc/48/74/84/573487484.db2.gz ROWUWKJRQODEPG-UHFFFAOYSA-N 0 0 189.214 1.999 10 0 ADAERN CONCc1cc(O)cc(C)c1F 258039133 573487488 /nfs/dbraw/zinc/48/74/88/573487488.db2.gz JOVOEQVVSXLLOM-UHFFFAOYSA-N 0 0 185.198 1.491 10 0 ADAERN C[C@@H]1C[C@@H](C(C)(C)C)O[C@@H]1O 238416166 573487489 /nfs/dbraw/zinc/48/74/89/573487489.db2.gz YLIOQOGHNXMWQJ-CSMHCCOUSA-N 0 0 158.241 1.776 10 0 ADAERN CCCCc1coc(N)n1 258679822 573487495 /nfs/dbraw/zinc/48/74/95/573487495.db2.gz WEOURSPTLOLUGN-UHFFFAOYSA-N 0 0 140.186 1.599 10 0 ADAERN OCc1nc(-c2ccsc2)n[nH]1 86560481 573487503 /nfs/dbraw/zinc/48/75/03/573487503.db2.gz UDXAMLQNLOMGSZ-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN CCc1noc(Cl)c1C=O 75118888 573487508 /nfs/dbraw/zinc/48/75/08/573487508.db2.gz CGCWGVWVKQWEHV-UHFFFAOYSA-N 0 0 159.572 1.703 10 0 ADAERN O=C1Cc2ccc3ncccc3c2N1 86569801 573487520 /nfs/dbraw/zinc/48/75/20/573487520.db2.gz KPIKKBVFVZQGNO-UHFFFAOYSA-N 0 0 184.198 1.729 10 0 ADAERN CCOC(=O)[C@H](C)c1cocn1 259471010 573487527 /nfs/dbraw/zinc/48/75/27/573487527.db2.gz BLBNEYABZZKMPP-ZCFIWIBFSA-N 0 0 169.180 1.341 10 0 ADAERN CO[C@@H](C)c1cccc(CCO)c1 259468632 573487538 /nfs/dbraw/zinc/48/75/38/573487538.db2.gz NWRWFKJDVFUECX-VIFPVBQESA-N 0 0 180.247 1.929 10 0 ADAERN C[C@@H](O)c1ccc2[nH]c(=O)cnc2c1 258039301 573487542 /nfs/dbraw/zinc/48/75/42/573487542.db2.gz JSGAHFIRTBXDMU-ZCFIWIBFSA-N 0 0 190.202 1.389 10 0 ADAERN CCc1nc([C@@H](C)N)oc1C 259471627 573487547 /nfs/dbraw/zinc/48/75/47/573487547.db2.gz WTDDHSDZXVCVOY-RXMQYKEDSA-N 0 0 154.213 1.565 10 0 ADAERN ONCc1ccc(O)c(F)c1F 258039731 573487554 /nfs/dbraw/zinc/48/75/54/573487554.db2.gz QBLFNOFGXQGORQ-UHFFFAOYSA-N 0 0 175.134 1.149 10 0 ADAERN C=C=C([C@@H](C)O)n1cccc1 238416017 573487563 /nfs/dbraw/zinc/48/75/63/573487563.db2.gz RAOBARFKPFZTGG-MRVPVSSYSA-N 0 0 149.193 1.495 10 0 ADAERN COCc1csc(C2(O)CC2)c1 689963714 573487567 /nfs/dbraw/zinc/48/75/67/573487567.db2.gz KKCXPPPFDMZPDK-UHFFFAOYSA-N 0 0 184.260 1.876 10 0 ADAERN CC(C)(C)C(=O)NC(=O)C1CCC1 197371969 573487596 /nfs/dbraw/zinc/48/75/96/573487596.db2.gz LYZOXAKCLYQESP-UHFFFAOYSA-N 0 0 183.251 1.475 10 0 ADAERN O=C1CCCN[C@@H]1c1ccc(O)cc1 257820182 573487602 /nfs/dbraw/zinc/48/76/02/573487602.db2.gz FRWZJNJGIDOPFJ-LLVKDONJSA-N 0 0 191.230 1.386 10 0 ADAERN C[N@@H+]1CCC[C@@H](Nc2cccnc2)C1 75119888 573487630 /nfs/dbraw/zinc/48/76/30/573487630.db2.gz MIGUISMVECXANW-LLVKDONJSA-N 0 0 191.278 1.588 10 0 ADAERN C[C@@H]1CCC[C@H]1[NH+]1CC(CC(=O)[O-])C1 83417093 573490442 /nfs/dbraw/zinc/49/04/42/573490442.db2.gz AXXICFDQXVXBSL-PSASIEDQSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1ccsc1[C@H](O)[C@H](C)O 235605646 573487650 /nfs/dbraw/zinc/48/76/50/573487650.db2.gz VXJXUYUAPXHFPK-NKWVEPMBSA-N 0 0 172.249 1.471 10 0 ADAERN Nc1cc(C(F)(F)F)nnc1Cl 258039072 573487653 /nfs/dbraw/zinc/48/76/53/573487653.db2.gz STNDBNPKJGANHR-UHFFFAOYSA-N 0 0 197.547 1.731 10 0 ADAERN COC(=O)Cc1cc(C)c(C)[nH]1 259469798 573487660 /nfs/dbraw/zinc/48/76/60/573487660.db2.gz BEXAKTKXBSRCPV-UHFFFAOYSA-N 0 0 167.208 1.347 10 0 ADAERN C[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](C(=O)[O-])C1 83413932 573487671 /nfs/dbraw/zinc/48/76/71/573487671.db2.gz MLCQRGWFWGLZTA-UTLUCORTSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1c([C@@H]2NCCCS2)cnn1C 86552920 573487676 /nfs/dbraw/zinc/48/76/76/573487676.db2.gz KCMCLYVRGYQMTE-SECBINFHSA-N 0 0 197.307 1.454 10 0 ADAERN CC[C@H](C(=O)OC)[C@@H]1CCSC1 259469727 573487686 /nfs/dbraw/zinc/48/76/86/573487686.db2.gz BCVMMYBVVYEQES-SFYZADRCSA-N 0 0 188.292 1.939 10 0 ADAERN CC(C)CCNC(=O)C1(CO)CCC1 258678580 573487696 /nfs/dbraw/zinc/48/76/96/573487696.db2.gz ICXMTYGIKDJIFW-UHFFFAOYSA-N 0 0 199.294 1.311 10 0 ADAERN COc1ncc(N)c(C(F)F)c1C 238417107 573487702 /nfs/dbraw/zinc/48/77/02/573487702.db2.gz CZKTUSHQLZVAGL-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN 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/nfs/dbraw/zinc/48/85/42/573488542.db2.gz KEESEGLEIMQMQZ-UHFFFAOYSA-N 0 0 160.257 1.964 10 0 ADAERN C[C@@H]1Cc2ccc(CO)cc2N1 238406317 573488559 /nfs/dbraw/zinc/48/85/59/573488559.db2.gz AIZYRRFCOITPJE-SSDOTTSWSA-N 0 0 163.220 1.535 10 0 ADAERN C[C@H](O)c1coc(C[C@H]2CCCO2)n1 258038994 573488571 /nfs/dbraw/zinc/48/85/71/573488571.db2.gz KJWKASJDZZBKNI-JGVFFNPUSA-N 0 0 197.234 1.449 10 0 ADAERN CC(C)C[C@H](C)[C@H](C[NH3+])C(=O)[O-] 143382389 573488610 /nfs/dbraw/zinc/48/86/10/573488610.db2.gz MHANRUOGTNXAGJ-YUMQZZPRSA-N 0 0 173.256 1.328 10 0 ADAERN CCC[N@H+](CC(=O)[O-])[C@@H](C)C1CC1 83411570 573488620 /nfs/dbraw/zinc/48/86/20/573488620.db2.gz WNDYTITVWPNBNR-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CCN(C)c1ccc([C@@H](C)O)c(O)c1 86569756 573488625 /nfs/dbraw/zinc/48/86/25/573488625.db2.gz UFFFZSOVDSHDJW-MRVPVSSYSA-N 0 0 195.262 1.902 10 0 ADAERN C[C@@H]1CCC[C@@H](c2nnc(CO)[nH]2)C1 86560156 573488633 /nfs/dbraw/zinc/48/86/33/573488633.db2.gz XYGJAALAPIGNMU-HTQZYQBOSA-N 0 0 195.266 1.591 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/nfs/dbraw/zinc/48/88/15/573488815.db2.gz TUDFMTCMEYPWIG-MRVPVSSYSA-N 0 0 177.247 1.926 10 0 ADAERN COCc1ccc(CC2(O)CC2)cc1 258039105 573488783 /nfs/dbraw/zinc/48/87/83/573488783.db2.gz JOFCUJMYYPXTII-UHFFFAOYSA-N 0 0 192.258 1.900 10 0 ADAERN CC(=O)C1(C)O[C@@H](C)[C@H](C)O1 238406467 573488789 /nfs/dbraw/zinc/48/87/89/573488789.db2.gz DSFFGEXZMSLVNF-WDSKDSINSA-N 0 0 158.197 1.115 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]([NH2+]C2CC2)C1 107302157 573488794 /nfs/dbraw/zinc/48/87/94/573488794.db2.gz VGMNAWFJYISZAM-VXNVDRBHSA-N 0 0 183.251 1.382 10 0 ADAERN CSc1ccc(N)c(NC(C)=O)c1 238417007 573488797 /nfs/dbraw/zinc/48/87/97/573488797.db2.gz YRJNVUPTFXAZRG-UHFFFAOYSA-N 0 0 196.275 1.949 10 0 ADAERN CC(C)[C@H](C)[NH+]1CC(C(=O)[O-])C1 83415799 573488805 /nfs/dbraw/zinc/48/88/05/573488805.db2.gz YHHWCQNNCIOTFL-ZETCQYMHSA-N 0 0 171.240 1.047 10 0 ADAERN COC(=O)c1cnsc1C1CC1 259472383 573488826 /nfs/dbraw/zinc/48/88/26/573488826.db2.gz BULAWDBXLZAQBL-UHFFFAOYSA-N 0 0 183.232 1.807 10 0 ADAERN 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/nfs/dbraw/zinc/48/90/24/573489024.db2.gz QDCFZOCJWTYOMK-PQHJVFTLSA-N 0 0 192.258 1.832 10 0 ADAERN Cc1nc2ccc(CON)cc2n1C 258039351 573490444 /nfs/dbraw/zinc/49/04/44/573490444.db2.gz JTDHSKNQTGTOCM-UHFFFAOYSA-N 0 0 191.234 1.272 10 0 ADAERN Cc1ccc(N(C)C(=O)C=O)cc1C 258681158 573489042 /nfs/dbraw/zinc/48/90/42/573489042.db2.gz KWPFSJCHGRQVDK-UHFFFAOYSA-N 0 0 191.230 1.465 10 0 ADAERN C[C@@]12CC(=O)CC[C@H]1CCC2=O 238416865 573489094 /nfs/dbraw/zinc/48/90/94/573489094.db2.gz NWIMLQRJNGCZNI-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN C1Cc2noc(NC3CC3)c2C1 107301056 573489112 /nfs/dbraw/zinc/48/91/12/573489112.db2.gz SDZBBKXDAHQDHS-UHFFFAOYSA-N 0 0 164.208 1.738 10 0 ADAERN C[C@@H]1CC(=O)[C@H](CCO)C1(C)C 238416222 573489116 /nfs/dbraw/zinc/48/91/16/573489116.db2.gz BNGCXJMNWYDUDH-SFYZADRCSA-N 0 0 170.252 1.620 10 0 ADAERN O=C1CCCN[C@H]1c1ccc(O)cc1 257820184 573489122 /nfs/dbraw/zinc/48/91/22/573489122.db2.gz FRWZJNJGIDOPFJ-NSHDSACASA-N 0 0 191.230 1.386 10 0 ADAERN CCOC(=O)[C@H](CO)[C@@H]1C=CCCC1 238251884 573489124 /nfs/dbraw/zinc/48/91/24/573489124.db2.gz JTHFBIPVPKLJQT-NXEZZACHSA-N 0 0 198.262 1.514 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)COCO2 258039693 573489129 /nfs/dbraw/zinc/48/91/29/573489129.db2.gz QAHPSTCNHIEOAN-SSDOTTSWSA-N 0 0 180.203 1.606 10 0 ADAERN CN(C)c1cc(F)ccc1CCCO 259473226 573489133 /nfs/dbraw/zinc/48/91/33/573489133.db2.gz OGUQGAUCFVYQAW-UHFFFAOYSA-N 0 0 197.253 1.817 10 0 ADAERN O=C1CCNN1CCC1CCCC1 257820192 573489142 /nfs/dbraw/zinc/48/91/42/573489142.db2.gz FNTBEYSDUHLNNJ-UHFFFAOYSA-N 0 0 182.267 1.304 10 0 ADAERN CCC1(C(=O)N[C@](C)(CC)CO)CC1 308601884 573489161 /nfs/dbraw/zinc/48/91/61/573489161.db2.gz OMTSFQAQGZPFKL-SNVBAGLBSA-N 0 0 199.294 1.454 10 0 ADAERN C/C(=C\c1cnn(C)c1C)[N+](=O)[O-] 86552816 573489162 /nfs/dbraw/zinc/48/91/62/573489162.db2.gz BAWJGKNTWLTPDG-GQCTYLIASA-N 0 0 181.195 1.366 10 0 ADAERN COC(=O)Nc1cc(C(C)C)on1 197361203 573489179 /nfs/dbraw/zinc/48/91/79/573489179.db2.gz TZBNDGVPGOLNRH-UHFFFAOYSA-N 0 0 184.195 1.976 10 0 ADAERN O=Cc1coc(Cl)c1 75115853 573489214 /nfs/dbraw/zinc/48/92/14/573489214.db2.gz CIVLRBXEVIZMEM-UHFFFAOYSA-N 0 0 130.530 1.746 10 0 ADAERN COc1c(C)ccc(C)c1CCON 258039333 573489215 /nfs/dbraw/zinc/48/92/15/573489215.db2.gz JSZUZKWPXILYDK-UHFFFAOYSA-N 0 0 195.262 1.745 10 0 ADAERN C[C@@H]1CC[C@H]([NH+]2CC(CC(=O)[O-])C2)C1 83416779 573489236 /nfs/dbraw/zinc/48/92/36/573489236.db2.gz WPLKKJSZDNVFQX-SCZZXKLOSA-N 0 0 197.278 1.582 10 0 ADAERN NOCCc1ccc(Cl)s1 75119212 573489249 /nfs/dbraw/zinc/48/92/49/573489249.db2.gz QICCUDVQONELJC-UHFFFAOYSA-N 0 0 177.656 1.834 10 0 ADAERN COc1ccc(CON)cc1F 75119013 573489274 /nfs/dbraw/zinc/48/92/74/573489274.db2.gz GPZYYYKTZAILJP-UHFFFAOYSA-N 0 0 171.171 1.225 10 0 ADAERN C[C@@H]1CC(=O)C(C)(C)[C@H]1CO 238406455 573489277 /nfs/dbraw/zinc/48/92/77/573489277.db2.gz XPCNQNZSHHELST-RQJHMYQMSA-N 0 0 156.225 1.230 10 0 ADAERN CCC(CC)CNc1ncncc1N 130210360 573489284 /nfs/dbraw/zinc/48/92/84/573489284.db2.gz DOBZCTYIRFGAIT-UHFFFAOYSA-N 0 0 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154.149 1.986 10 0 ADAERN COc1ccc(C)cc1CON 75118993 573489618 /nfs/dbraw/zinc/48/96/18/573489618.db2.gz ODEYSHFNDXPBIU-UHFFFAOYSA-N 0 0 167.208 1.394 10 0 ADAERN C/C=C/CC[NH2+]Cc1ncccc1[O-] 308593339 573489619 /nfs/dbraw/zinc/48/96/19/573489619.db2.gz LEPSLPYNIJAHKC-NSCUHMNNSA-N 0 0 192.262 1.843 10 0 ADAERN C[C@@H](C1CC1)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 83417442 573489622 /nfs/dbraw/zinc/48/96/22/573489622.db2.gz FMLJBIBCNIXODG-KWQFWETISA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@]1(C(=O)[O-])CCC[N@@H+](C2CCC2)C1 83412856 573490461 /nfs/dbraw/zinc/49/04/61/573490461.db2.gz ZZRMLNXDHSWPEI-LLVKDONJSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1ccccc1[C@H](C)ON 259472199 573489643 /nfs/dbraw/zinc/48/96/43/573489643.db2.gz NXLACXCWRGNOBL-QMMMGPOBSA-N 0 0 151.209 1.946 10 0 ADAERN CC(=O)[C@H](C)C1=NC(C)(C)CO1 238416454 573489659 /nfs/dbraw/zinc/48/96/59/573489659.db2.gz FLXCYOQIVZDJGI-LURJTMIESA-N 0 0 169.224 1.419 10 0 ADAERN COC(=O)[C@@H]1CCc2scnc21 259472334 573489663 /nfs/dbraw/zinc/48/96/63/573489663.db2.gz BRXLUEHDJZBFNL-RXMQYKEDSA-N 0 0 183.232 1.346 10 0 ADAERN CN(C)[C@H](N)c1cccs1 259474093 573489672 /nfs/dbraw/zinc/48/96/72/573489672.db2.gz KHIROORLANBMLV-ZETCQYMHSA-N 0 0 156.254 1.267 10 0 ADAERN CC[C@@H]1CC[C@H](c2nnc(CO)[nH]2)C1 86560378 573489693 /nfs/dbraw/zinc/48/96/93/573489693.db2.gz QIXZNUZZJWFZIR-SFYZADRCSA-N 0 0 195.266 1.591 10 0 ADAERN C[C@@]12CC(=O)CC[C@H]1CC(=O)C2 238416839 573489701 /nfs/dbraw/zinc/48/97/01/573489701.db2.gz DJSDIKMYAVWZHK-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN CC(=O)c1ccccc1OC1COC1 75120169 573489705 /nfs/dbraw/zinc/48/97/05/573489705.db2.gz JDAIBQKIHKMKBS-UHFFFAOYSA-N 0 0 192.214 1.667 10 0 ADAERN Cc1c(Cl)noc1N 257819917 573490466 /nfs/dbraw/zinc/49/04/66/573490466.db2.gz DEUMBQRVJYQIJD-UHFFFAOYSA-N 0 0 132.550 1.219 10 0 ADAERN CC[NH2+][C@H](CO)c1ccc(F)c(C)c1 50559615 573489762 /nfs/dbraw/zinc/48/97/62/573489762.db2.gz UXHBQDYXUDTFCC-LLVKDONJSA-N 0 0 197.253 1.777 10 0 ADAERN CN(C)c1cc(CCO)ccc1Cl 259473133 573489928 /nfs/dbraw/zinc/48/99/28/573489928.db2.gz OFWDBYFLRJUEKW-UHFFFAOYSA-N 0 0 199.681 1.941 10 0 ADAERN CC(=O)c1ccc(OC2COC2)cc1 75120176 573489745 /nfs/dbraw/zinc/48/97/45/573489745.db2.gz JVPDHEAUYUYOOP-UHFFFAOYSA-N 0 0 192.214 1.667 10 0 ADAERN CCCO[C@H]1C[C@H]1C(=O)NC(C)(C)C 238252360 573489751 /nfs/dbraw/zinc/48/97/51/573489751.db2.gz IDQKWBOASAODLB-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN C[NH2+][C@H](CC(C)C)[C@H]1C[C@@H]1C(=O)[O-] 259474892 573489752 /nfs/dbraw/zinc/48/97/52/573489752.db2.gz QIESGCYUQSAHAV-XHNCKOQMSA-N 0 0 185.267 1.341 10 0 ADAERN Cc1ccccc1C[C@H]1COC(=O)N1 258678399 573489769 /nfs/dbraw/zinc/48/97/69/573489769.db2.gz XRJZJZCHSLHNQU-JTQLQIEISA-N 0 0 191.230 1.646 10 0 ADAERN CC[Si]1(CC)C=C[C@H](O)C1 197361675 573489781 /nfs/dbraw/zinc/48/97/81/573489781.db2.gz HXPSUYRKJFNGHS-QMMMGPOBSA-N 0 0 156.301 1.945 10 0 ADAERN COC(=O)[C@@H](c1cnoc1)C(C)C 259472381 573489790 /nfs/dbraw/zinc/48/97/90/573489790.db2.gz BUIUFQISIMYRQR-MRVPVSSYSA-N 0 0 183.207 1.587 10 0 ADAERN Cc1cc([C@H](O)[C@H](C)O)cs1 235605485 573489796 /nfs/dbraw/zinc/48/97/96/573489796.db2.gz WCFOJDOZVZTOAI-POYBYMJQSA-N 0 0 172.249 1.471 10 0 ADAERN COC(=O)[C@H]1CCCC[C@@H](O)C1 107302098 573489863 /nfs/dbraw/zinc/48/98/63/573489863.db2.gz ZHRDIMPOOMEFHY-JGVFFNPUSA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)c1c(F)cc(C)n1C 211844446 573489867 /nfs/dbraw/zinc/48/98/67/573489867.db2.gz WNMVSWRAOOILPV-UHFFFAOYSA-N 0 0 171.171 1.259 10 0 ADAERN O=c1nc(Cc2cccc(O)c2)o[nH]1 258038672 573489873 /nfs/dbraw/zinc/48/98/73/573489873.db2.gz OHKYMDIOZANXLP-UHFFFAOYSA-N 0 0 192.174 1.072 10 0 ADAERN COCCON[C@H](C)C(C)(C)C 686245176 573489900 /nfs/dbraw/zinc/48/99/00/573489900.db2.gz GQENNOUJKZEYBR-MRVPVSSYSA-N 0 0 175.272 1.589 10 0 ADAERN Cc1c([C@H](N)C(F)(F)F)cnn1C 86553072 573489926 /nfs/dbraw/zinc/48/99/26/573489926.db2.gz IVZBGJNRXFEFLS-LURJTMIESA-N 0 0 193.172 1.291 10 0 ADAERN C[C@H](C1CCCC1)[NH+]1CC(C(=O)[O-])C1 83415986 573489959 /nfs/dbraw/zinc/48/99/59/573489959.db2.gz NPLUAROXUCXMBY-MRVPVSSYSA-N 0 0 197.278 1.582 10 0 ADAERN OC[C@H](CC1COC1)c1ccccc1 258679774 573489965 /nfs/dbraw/zinc/48/99/65/573489965.db2.gz WDZWYAUMGAMJDW-LBPRGKRZSA-N 0 0 192.258 1.799 10 0 ADAERN c1ncc(N[C@H]2CCCSC2)cn1 75122699 573489972 /nfs/dbraw/zinc/48/99/72/573489972.db2.gz NXEXOSITDVXQAV-QMMMGPOBSA-N 0 0 195.291 1.784 10 0 ADAERN Cc1c([C@@H]2N[C@H](C)CS2)cnn1C 86552916 573490023 /nfs/dbraw/zinc/49/00/23/573490023.db2.gz DCFJIRSDRJBQNF-HZGVNTEJSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1noc(C)c1CN1CCC(=O)C1 75121420 573490002 /nfs/dbraw/zinc/49/00/02/573490002.db2.gz JWTAVAMSDVBAQD-UHFFFAOYSA-N 0 0 194.234 1.066 10 0 ADAERN CN(CC1CCCCC1)C(=O)C=O 258681267 573490045 /nfs/dbraw/zinc/49/00/45/573490045.db2.gz KZDOSZZVKCODFI-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN Cn1cc(C2CCC2)c(N)n1 257819944 573490060 /nfs/dbraw/zinc/49/00/60/573490060.db2.gz DHJSMODPGANMEC-UHFFFAOYSA-N 0 0 151.213 1.270 10 0 ADAERN CC[Si]1(CC)C=C[C@@H](O)C1 197361662 573490062 /nfs/dbraw/zinc/49/00/62/573490062.db2.gz HXPSUYRKJFNGHS-MRVPVSSYSA-N 0 0 156.301 1.945 10 0 ADAERN CC(C)(C)C[N@@H+]1CCC[C@]1(C)C(=O)[O-] 83417553 573490065 /nfs/dbraw/zinc/49/00/65/573490065.db2.gz CQFLMCXZEBTUEV-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN OC[C@@H](CC1COC1)c1ccccc1 258679771 573490082 /nfs/dbraw/zinc/49/00/82/573490082.db2.gz WDZWYAUMGAMJDW-GFCCVEGCSA-N 0 0 192.258 1.799 10 0 ADAERN CC[C@H](C)[C@@H](C)[NH+]1CC(CC(=O)[O-])C1 83416606 573490085 /nfs/dbraw/zinc/49/00/85/573490085.db2.gz NOYQYCMYQUBHNU-DTWKUNHWSA-N 0 0 199.294 1.828 10 0 ADAERN CO[C@H](C)Cc1cccc(CNO)c1 259473260 573490104 /nfs/dbraw/zinc/49/01/04/573490104.db2.gz OHVVXYOQGWLPRM-SECBINFHSA-N 0 0 195.262 1.743 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 83417375 573490114 /nfs/dbraw/zinc/49/01/14/573490114.db2.gz XAGZEIUAWQMZBE-ONGXEEELSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H](CO)c1nccs1 259472757 573490120 /nfs/dbraw/zinc/49/01/20/573490120.db2.gz MAHXYEZRVQNBBJ-LURJTMIESA-N 0 0 157.238 1.629 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QIXZNUZZJWFZIR-HTQZYQBOSA-N 0 0 195.266 1.591 10 0 ADAERN C[C@@H]1NC(=O)[C@@]2(c3ccccc3)C[C@@H]12 238416972 573490237 /nfs/dbraw/zinc/49/02/37/573490237.db2.gz FHBJZUVDVDMVQM-PTOFAABTSA-N 0 0 187.242 1.463 10 0 ADAERN CC(C)(CNC(=O)S)c1cc[nH]c1 258678972 573490249 /nfs/dbraw/zinc/49/02/49/573490249.db2.gz KPPCLYFBBHHIIN-UHFFFAOYSA-N 0 0 198.291 1.932 10 0 ADAERN CCOC(=O)C[C@H](CC)[C@H](C)O 259472360 573490255 /nfs/dbraw/zinc/49/02/55/573490255.db2.gz BSXKRVWUCVIMFG-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN COC(=O)c1cnc(-c2ccoc2)o1 238416848 573490259 /nfs/dbraw/zinc/49/02/59/573490259.db2.gz PVXSENAFMUKYQH-UHFFFAOYSA-N 0 0 193.158 1.721 10 0 ADAERN CC(C)CC[C@H](C)[NH+]1CC(C(=O)[O-])C1 83416193 573490263 /nfs/dbraw/zinc/49/02/63/573490263.db2.gz FCGKLMQOJMLQSA-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN CCOC(=O)[C@](C)([NH3+])C1CCC1 259472396 573490274 /nfs/dbraw/zinc/49/02/74/573490274.db2.gz BVFSSSSIHGSDKX-SECBINFHSA-N 0 0 171.240 1.067 10 0 ADAERN CCC[C@](CC)([NH2+]C)C(=O)[O-] 145547014 573490281 /nfs/dbraw/zinc/49/02/81/573490281.db2.gz JJYLOESPKZZPQE-QMMMGPOBSA-N 0 0 159.229 1.239 10 0 ADAERN COc1ccc(C)c(CCO)c1O 258039288 573490283 /nfs/dbraw/zinc/49/02/83/573490283.db2.gz JSDBFAGQMMUANV-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN Cc1ccc2c(c1CO)OCCO2 258039646 573490290 /nfs/dbraw/zinc/49/02/90/573490290.db2.gz PYWBXQAVQYFDSW-UHFFFAOYSA-N 0 0 180.203 1.259 10 0 ADAERN CC(C)CC(=O)NC(=O)C1CCC1 197371943 573490293 /nfs/dbraw/zinc/49/02/93/573490293.db2.gz XWYDFSLJAYXAQQ-UHFFFAOYSA-N 0 0 183.251 1.475 10 0 ADAERN CC(C)(C)C[N@@H+]1CC[C@H](C(=O)[O-])C1 83413793 573490297 /nfs/dbraw/zinc/49/02/97/573490297.db2.gz OEMRFPGXTFODJD-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN CC1CCC(c2nnc(CO)[nH]2)CC1 86560204 573490345 /nfs/dbraw/zinc/49/03/45/573490345.db2.gz KFMNUNWDPKBNSP-UHFFFAOYSA-N 0 0 195.266 1.591 10 0 ADAERN CC[C@H](C(=O)OC)c1cnoc1 259472368 573490357 /nfs/dbraw/zinc/49/03/57/573490357.db2.gz BTOFJCCISROKHF-ZETCQYMHSA-N 0 0 169.180 1.341 10 0 ADAERN CCC[C@H](C)[N@H+](CC)CC(=O)[O-] 83411170 573490365 /nfs/dbraw/zinc/49/03/65/573490365.db2.gz MWCZJUPCDIPBTF-QMMMGPOBSA-N 0 0 173.256 1.582 10 0 ADAERN CNOc1cccs1 258039086 573490367 /nfs/dbraw/zinc/49/03/67/573490367.db2.gz STOKPAXEQBTSMM-UHFFFAOYSA-N 0 0 129.184 1.261 10 0 ADAERN CC[C@@]1(C(=O)[O-])CC[N@@H+](C2CCC2)C1 83412627 573490379 /nfs/dbraw/zinc/49/03/79/573490379.db2.gz IXVRQAIFMFDJBL-LLVKDONJSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1cc(CC2(O)CC2)ccc1O 258039737 573490381 /nfs/dbraw/zinc/49/03/81/573490381.db2.gz QBWUUPGTEGXYAP-UHFFFAOYSA-N 0 0 178.231 1.768 10 0 ADAERN C[C@H](CO)[C@H](O)[C@H](C)c1ccccc1 308593300 573490398 /nfs/dbraw/zinc/49/03/98/573490398.db2.gz QHHHOANTQPBUAH-FOGDFJRCSA-N 0 0 194.274 1.779 10 0 ADAERN COc1ccc(F)cc1N(C)C(N)=O 258681190 573490424 /nfs/dbraw/zinc/49/04/24/573490424.db2.gz KXIBFWOFGQQEFG-UHFFFAOYSA-N 0 0 198.197 1.349 10 0 ADAERN C[C@@H]1CCC[C@]2(CC(=O)N(C)C2=O)C1 238416573 573490487 /nfs/dbraw/zinc/49/04/87/573490487.db2.gz RRHFPHFRHGZSRL-LDYMZIIASA-N 0 0 195.262 1.572 10 0 ADAERN c1nocc1OC[C@@H]1CCCO1 258690903 573492059 /nfs/dbraw/zinc/49/20/59/573492059.db2.gz UGXYSQPCTXRMPN-ZETCQYMHSA-N 0 0 169.180 1.232 10 0 ADAERN Cc1c([C@H]2N[C@@H](C)CS2)cnn1C 86552919 573492129 /nfs/dbraw/zinc/49/21/29/573492129.db2.gz DCFJIRSDRJBQNF-RCOVLWMOSA-N 0 0 197.307 1.452 10 0 ADAERN C[NH2+][C@H](CC(C)C)[C@@H]1C[C@H]1C(=O)[O-] 259474888 573492214 /nfs/dbraw/zinc/49/22/14/573492214.db2.gz QIESGCYUQSAHAV-IWSPIJDZSA-N 0 0 185.267 1.341 10 0 ADAERN Cc1ccccc1[C@@H](C)ON 259472197 573492218 /nfs/dbraw/zinc/49/22/18/573492218.db2.gz NXLACXCWRGNOBL-MRVPVSSYSA-N 0 0 151.209 1.946 10 0 ADAERN C[C@@H]1CCC[C@H](c2nnc(CO)[nH]2)C1 86560150 573491487 /nfs/dbraw/zinc/49/14/87/573491487.db2.gz XYGJAALAPIGNMU-SFYZADRCSA-N 0 0 195.266 1.591 10 0 ADAERN C[C@]1(C(=O)[O-])CC[N@@H+](C2CCC2)C1 83412360 573491495 /nfs/dbraw/zinc/49/14/95/573491495.db2.gz JAIDSZKMPMACMO-JTQLQIEISA-N 0 0 183.251 1.336 10 0 ADAERN COc1cc(CO)c(C(F)F)cn1 238406623 573491518 /nfs/dbraw/zinc/49/15/18/573491518.db2.gz LXQJOPFSKYNETC-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CNC(NC)c1ccc2[nH]cnc2c1 259475049 573491552 /nfs/dbraw/zinc/49/15/52/573491552.db2.gz QJDREOPWWOHOCB-UHFFFAOYSA-N 0 0 190.250 1.000 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[NH+]1CC(C(=O)[O-])C1 83416489 573491559 /nfs/dbraw/zinc/49/15/59/573491559.db2.gz NCQKWFYRHTVOLM-SCZZXKLOSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1ccc(F)c2c1CC(=O)N2 86569807 573491564 /nfs/dbraw/zinc/49/15/64/573491564.db2.gz HFRQFCCJDQIYRA-UHFFFAOYSA-N 0 0 165.167 1.629 10 0 ADAERN CC[C@H](O)C(=O)NCCC=C(C)C 388691593 573491590 /nfs/dbraw/zinc/49/15/90/573491590.db2.gz KYRPSARBLIDKHZ-VIFPVBQESA-N 0 0 185.267 1.230 10 0 ADAERN O=C([O-])C[C@@H]1CCC[N@@H+]1C1CCC1 83414137 573491609 /nfs/dbraw/zinc/49/16/09/573491609.db2.gz ZFNSJKKLHJRGPQ-VIFPVBQESA-N 0 0 183.251 1.478 10 0 ADAERN C[C@@H]1CCC[C@H]1[NH+]1CC(C(=O)[O-])C1 83416586 573491620 /nfs/dbraw/zinc/49/16/20/573491620.db2.gz ILHYFYVOJKCZPH-VXNVDRBHSA-N 0 0 183.251 1.191 10 0 ADAERN OCc1c(O)c(F)cc(F)c1F 258042027 573492287 /nfs/dbraw/zinc/49/22/87/573492287.db2.gz QIRMJTMBBXHRIG-UHFFFAOYSA-N 0 0 178.109 1.302 10 0 ADAERN CCCCN(C)c1ncc(C=O)cn1 126373410 573491660 /nfs/dbraw/zinc/49/16/60/573491660.db2.gz GHDVYMKVQSREDY-UHFFFAOYSA-N 0 0 193.250 1.525 10 0 ADAERN CCOC(=O)c1oc(C2CC2)cc1N 259612266 573491664 /nfs/dbraw/zinc/49/16/64/573491664.db2.gz DZKMIILOWWBXTI-UHFFFAOYSA-N 0 0 195.218 1.916 10 0 ADAERN COc1cc2nc(N)sc2cn1 238406637 573491687 /nfs/dbraw/zinc/49/16/87/573491687.db2.gz CGYZXSPMDDLYJO-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN CC(C)n1nc(N)c2c1CCC2 107298873 573491691 /nfs/dbraw/zinc/49/16/91/573491691.db2.gz RCSAFIUAJBZJLS-UHFFFAOYSA-N 0 0 165.240 1.535 10 0 ADAERN CSC(=S)N1C[C@@H](C)NC1=O 238406935 573491698 /nfs/dbraw/zinc/49/16/98/573491698.db2.gz MGDIFQXSFKJRCP-SCSAIBSYSA-N 0 0 190.293 1.048 10 0 ADAERN CC(C)(C)C[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 83417554 573491712 /nfs/dbraw/zinc/49/17/12/573491712.db2.gz CQFLMCXZEBTUEV-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CC(=O)CC=C1CCC(N)=O 238408420 573493178 /nfs/dbraw/zinc/49/31/78/573493178.db2.gz FVLHQTJVGYTTLM-SSDOTTSWSA-N 0 0 181.235 1.177 10 0 ADAERN COc1c(CO)cccc1C1(O)CC1 258042557 573491734 /nfs/dbraw/zinc/49/17/34/573491734.db2.gz JZSYVNWECFFYKK-UHFFFAOYSA-N 0 0 194.230 1.169 10 0 ADAERN CCOC(=O)CCc1c[nH]nc1C 259612269 573491738 /nfs/dbraw/zinc/49/17/38/573491738.db2.gz DZNXZICDJXOKAJ-UHFFFAOYSA-N 0 0 182.223 1.214 10 0 ADAERN CCCCC[NH2+]CC[C@H](C)C(=O)[O-] 258688972 573491739 /nfs/dbraw/zinc/49/17/39/573491739.db2.gz QCFBJXIIPQIHLZ-VIFPVBQESA-N 0 0 187.283 1.877 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H]([NH2+]C2CC2)C1 107302153 573491750 /nfs/dbraw/zinc/49/17/50/573491750.db2.gz VGMNAWFJYISZAM-IONNQARKSA-N 0 0 183.251 1.382 10 0 ADAERN C[C@@H]1CCCC[C@H]1[NH+]1CC(C(=O)[O-])C1 83416494 573491751 /nfs/dbraw/zinc/49/17/51/573491751.db2.gz NCQKWFYRHTVOLM-PSASIEDQSA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@H]1CC[C@@H](c2nnc(CO)[nH]2)C1 86560385 573491759 /nfs/dbraw/zinc/49/17/59/573491759.db2.gz QIXZNUZZJWFZIR-JGVFFNPUSA-N 0 0 195.266 1.591 10 0 ADAERN C[C@H](CO)c1cc(F)cc(F)c1O 258042543 573491800 /nfs/dbraw/zinc/49/18/00/573491800.db2.gz JZMXLWSATIZPHO-RXMQYKEDSA-N 0 0 188.173 1.766 10 0 ADAERN C[C@@H]1CC[C@@H]([NH+]2CC(CC(=O)[O-])C2)C1 83416785 573491801 /nfs/dbraw/zinc/49/18/01/573491801.db2.gz WPLKKJSZDNVFQX-PSASIEDQSA-N 0 0 197.278 1.582 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]CC[C@H]1C1CCC1 214905318 573491822 /nfs/dbraw/zinc/49/18/22/573491822.db2.gz QNLVWKJCJODRAU-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN COC(=O)c1[nH]c(=O)[nH]c1CC(C)C 258041433 573491825 /nfs/dbraw/zinc/49/18/25/573491825.db2.gz DROORVHZDICFPL-UHFFFAOYSA-N 0 0 198.222 1.100 10 0 ADAERN Cc1c([C@@H](N)C(F)(F)F)cnn1C 86553073 573492251 /nfs/dbraw/zinc/49/22/51/573492251.db2.gz IVZBGJNRXFEFLS-ZCFIWIBFSA-N 0 0 193.172 1.291 10 0 ADAERN CC[C@H](O)C(=O)OCC=C1CCC1 308394613 573491845 /nfs/dbraw/zinc/49/18/45/573491845.db2.gz CPGIZGQXXPUZMQ-VIFPVBQESA-N 0 0 184.235 1.411 10 0 ADAERN C[C@H]1CC[C@@H]([NH+]2CC(CC(=O)[O-])C2)C1 83416788 573491863 /nfs/dbraw/zinc/49/18/63/573491863.db2.gz WPLKKJSZDNVFQX-WCBMZHEXSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1cccc2nc([C@@H](N)CO)oc12 86556773 573491884 /nfs/dbraw/zinc/49/18/84/573491884.db2.gz PYBDKTFTAHZWQS-ZETCQYMHSA-N 0 0 192.218 1.128 10 0 ADAERN C[C@@H]1CCC[C@@H]1[NH+]1CC(CC(=O)[O-])C1 83417087 573491886 /nfs/dbraw/zinc/49/18/86/573491886.db2.gz AXXICFDQXVXBSL-SCZZXKLOSA-N 0 0 197.278 1.582 10 0 ADAERN COc1cc(F)cc2c1NC(=O)C2 86569821 573491896 /nfs/dbraw/zinc/49/18/96/573491896.db2.gz CJUFBRWWAWPWEB-UHFFFAOYSA-N 0 0 181.166 1.329 10 0 ADAERN CC(C)(C)C1=N[C@@H]2CC[C@H](O)C[C@H]2O1 258043817 573491908 /nfs/dbraw/zinc/49/19/08/573491908.db2.gz RCVDANDRAKEJDN-DJLDLDEBSA-N 0 0 197.278 1.743 10 0 ADAERN ONCc1ccc(F)c2c1OCCO2 258043722 573491921 /nfs/dbraw/zinc/49/19/21/573491921.db2.gz GFUJEFVEGJNHPH-UHFFFAOYSA-N 0 0 199.181 1.076 10 0 ADAERN C[C@@H]1CCC[C@@H]1[NH+]1CC(C(=O)[O-])C1 83416580 573491929 /nfs/dbraw/zinc/49/19/29/573491929.db2.gz ILHYFYVOJKCZPH-APPZFPTMSA-N 0 0 183.251 1.191 10 0 ADAERN COc1ncc(C)cc1[C@H](C)[NH3+] 238408358 573492264 /nfs/dbraw/zinc/49/22/64/573492264.db2.gz GAOXBTBXVUEILG-ZETCQYMHSA-N 0 0 166.224 1.418 10 0 ADAERN O=C1Cc2c(F)cc(F)c(F)c2N1 86569816 573492268 /nfs/dbraw/zinc/49/22/68/573492268.db2.gz YZSZHMWKTVUYIR-UHFFFAOYSA-N 0 0 187.120 1.599 10 0 ADAERN C(=C\c1ccco1)\C[NH2+][C@H]1CCOC1 308394456 573491979 /nfs/dbraw/zinc/49/19/79/573491979.db2.gz UYCZWCLZBAVQRN-OODOAVRDSA-N 0 0 193.246 1.671 10 0 ADAERN Cc1[nH]c(-c2cccnc2)cc1CO 259107070 573492015 /nfs/dbraw/zinc/49/20/15/573492015.db2.gz HTLSUHIVNCLRGT-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN CC(C)(C)c1nc2n(n1)CCC[C@@H]2O 258688985 573492017 /nfs/dbraw/zinc/49/20/17/573492017.db2.gz XZYVWDSMCSSJCX-ZETCQYMHSA-N 0 0 195.266 1.403 10 0 ADAERN COC(=O)[C@H]1CCc2scnc21 259472335 573492269 /nfs/dbraw/zinc/49/22/69/573492269.db2.gz BRXLUEHDJZBFNL-YFKPBYRVSA-N 0 0 183.232 1.346 10 0 ADAERN Nc1ncc(-c2cccs2)c(=O)[nH]1 258694717 573492047 /nfs/dbraw/zinc/49/20/47/573492047.db2.gz ZJCWZWRQQLFSGP-UHFFFAOYSA-N 0 0 193.231 1.493 10 0 ADAERN C(=C\c1ccco1)\C[NH2+][C@@H]1CCOC1 308394454 573492050 /nfs/dbraw/zinc/49/20/50/573492050.db2.gz UYCZWCLZBAVQRN-BRPGZNNISA-N 0 0 193.246 1.671 10 0 ADAERN Cc1ncc2oc(C)cc2n1 222683973 573492271 /nfs/dbraw/zinc/49/22/71/573492271.db2.gz KIIGIUIAYQMOPC-UHFFFAOYSA-N 0 0 148.165 1.840 10 0 ADAERN CN(c1cc[nH]c1)C(C)(C)CO 258687418 573492040 /nfs/dbraw/zinc/49/20/40/573492040.db2.gz BDWRILNNNVSLQJ-UHFFFAOYSA-N 0 0 168.240 1.222 10 0 ADAERN Cc1c([C@H]2N[C@H](C)CS2)cnn1C 86552917 573492067 /nfs/dbraw/zinc/49/20/67/573492067.db2.gz DCFJIRSDRJBQNF-MUWHJKNJSA-N 0 0 197.307 1.452 10 0 ADAERN NOCc1ccc(CCF)cc1 258044444 573492085 /nfs/dbraw/zinc/49/20/85/573492085.db2.gz QMLCDFJIUAQSPU-UHFFFAOYSA-N 0 0 169.199 1.589 10 0 ADAERN CC(C)(C)[NH2+]CC1(C(=O)[O-])CCC1 258693779 573492087 /nfs/dbraw/zinc/49/20/87/573492087.db2.gz QQNOSNUUVVTOCB-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN [NH3+][C@H]1c2cccc(F)c2C[C@@H]1C(=O)[O-] 258042315 573492109 /nfs/dbraw/zinc/49/21/09/573492109.db2.gz JIMLGPAAWPIUCX-CBAPKCEASA-N 0 0 195.193 1.082 10 0 ADAERN COC(=O)c1ccoc1-c1cnoc1 259472338 573492112 /nfs/dbraw/zinc/49/21/12/573492112.db2.gz BRYCWICORHIEEZ-UHFFFAOYSA-N 0 0 193.158 1.721 10 0 ADAERN CCO[C@@H](C)C(=O)OCC=C(C)C 308394468 573492118 /nfs/dbraw/zinc/49/21/18/573492118.db2.gz CMWDUGYHAYDQTJ-VIFPVBQESA-N 0 0 186.251 1.921 10 0 ADAERN CC(=O)N[C@@H](C)Cc1ccc[nH]1 238408223 573492119 /nfs/dbraw/zinc/49/21/19/573492119.db2.gz LUAPRYHORSDJBA-ZETCQYMHSA-N 0 0 166.224 1.082 10 0 ADAERN Cc1ccccc1CN(C)C(=O)C=O 258688338 573492124 /nfs/dbraw/zinc/49/21/24/573492124.db2.gz LXMKVHNETXUXGO-UHFFFAOYSA-N 0 0 191.230 1.152 10 0 ADAERN CO[C@@H]1C(=O)[C@H]2CCCC[C@@H]21 238408294 573492126 /nfs/dbraw/zinc/49/21/26/573492126.db2.gz DHCQFHIOXYKTFQ-ZKWXMUAHSA-N 0 0 154.209 1.391 10 0 ADAERN CO[C@@H]1C(=O)[C@@H]2CC=CC[C@H]12 238408271 573492142 /nfs/dbraw/zinc/49/21/42/573492142.db2.gz KNEMKAMSEPBRED-FJXKBIBVSA-N 0 0 152.193 1.167 10 0 ADAERN O=C(S)NCC1CCCC1 258685607 573492147 /nfs/dbraw/zinc/49/21/47/573492147.db2.gz LMSIPIFVUSJUHM-UHFFFAOYSA-N 0 0 159.254 1.816 10 0 ADAERN O=Cc1noc2c1CCCCC2 107300782 573492150 /nfs/dbraw/zinc/49/21/50/573492150.db2.gz PNZIQRJQJVZGQN-UHFFFAOYSA-N 0 0 165.192 1.756 10 0 ADAERN C[C@H](O)c1ccc(N(C)C)cc1O 86569752 573492161 /nfs/dbraw/zinc/49/21/61/573492161.db2.gz GYQPKNKGZYWQAF-ZETCQYMHSA-N 0 0 181.235 1.512 10 0 ADAERN C[N@H+](C(C)(C)C)C(C)(C)C(=O)[O-] 258695292 573492170 /nfs/dbraw/zinc/49/21/70/573492170.db2.gz DGWTYNDAZXEGQZ-UHFFFAOYSA-N 0 0 173.256 1.580 10 0 ADAERN COC(=O)[C@@H]1CCCC[C@H](O)C1 107302091 573492176 /nfs/dbraw/zinc/49/21/76/573492176.db2.gz ZHRDIMPOOMEFHY-SFYZADRCSA-N 0 0 172.224 1.101 10 0 ADAERN COc1cc2sccc2[nH]c1=O 238408355 573492179 /nfs/dbraw/zinc/49/21/79/573492179.db2.gz HNZXHRHJLMANQQ-UHFFFAOYSA-N 0 0 181.216 1.598 10 0 ADAERN CC[C@H](C)Nc1cc(NC#N)ncn1 258693727 573492191 /nfs/dbraw/zinc/49/21/91/573492191.db2.gz QOHWEQKDNBBVOP-ZETCQYMHSA-N 0 0 191.238 1.580 10 0 ADAERN C[C@@H](OC=O)C(=O)Nc1ccccc1 238408622 573492204 /nfs/dbraw/zinc/49/22/04/573492204.db2.gz FFHLIHVMUCMCJU-MRVPVSSYSA-N 0 0 193.202 1.187 10 0 ADAERN C[C@@H](CO)c1cc(F)cc(F)c1O 258042545 573492206 /nfs/dbraw/zinc/49/22/06/573492206.db2.gz JZMXLWSATIZPHO-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN Cc1c([C@H]2CC(=O)CCO2)cnn1C 86553146 573492284 /nfs/dbraw/zinc/49/22/84/573492284.db2.gz MGSPFHWJIZFBJN-SNVBAGLBSA-N 0 0 194.234 1.149 10 0 ADAERN COc1cc2oncc2cc1F 238408183 573492482 /nfs/dbraw/zinc/49/24/82/573492482.db2.gz ALJANSODKQTHMX-UHFFFAOYSA-N 0 0 167.139 1.976 10 0 ADAERN C/C=C\CC[NH2+]Cc1cncn1CC 308394462 573492487 /nfs/dbraw/zinc/49/24/87/573492487.db2.gz UYPHDWQQWSNEHG-HYXAFXHYSA-N 0 0 193.294 1.959 10 0 ADAERN C[C@@]1(C2CCC2)OC[C@H](CCO)O1 258696014 573492495 /nfs/dbraw/zinc/49/24/95/573492495.db2.gz NEUIFEJNNKLFBI-VHSXEESVSA-N 0 0 186.251 1.301 10 0 ADAERN CC(C)C(=O)CCCc1ccn(C)n1 124485879 573492497 /nfs/dbraw/zinc/49/24/97/573492497.db2.gz ZDOQVZABMPWQLH-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN C[C@H]1CCC[C@H](CN2CCNC2=O)C1 235608125 573492507 /nfs/dbraw/zinc/49/25/07/573492507.db2.gz BTWQGQBIONLPIC-UWVGGRQHSA-N 0 0 196.294 1.838 10 0 ADAERN C[NH+](C)Cc1ccc(O)cc1C(=O)[O-] 258040852 573492914 /nfs/dbraw/zinc/49/29/14/573492914.db2.gz DKTYFOJZCYXYGL-UHFFFAOYSA-N 0 0 195.218 1.152 10 0 ADAERN CC[C@@H](C)ONC(=O)C1CC(C)C1 308394455 573492515 /nfs/dbraw/zinc/49/25/15/573492515.db2.gz CMFLTKPCFQVHQW-QJAFJHJLSA-N 0 0 185.267 1.879 10 0 ADAERN CC(C)c1nc(N)c2c(n1)CCOC2 107300095 573492516 /nfs/dbraw/zinc/49/25/16/573492516.db2.gz QGSAAKZPMIILTI-UHFFFAOYSA-N 0 0 193.250 1.255 10 0 ADAERN C[C@@H]1CC(=O)CC2(C1)OCCO2 238408330 573492547 /nfs/dbraw/zinc/49/25/47/573492547.db2.gz FXICKBZGWFSHLS-SSDOTTSWSA-N 0 0 170.208 1.119 10 0 ADAERN CC(C)(C)C(=O)[C@@H](O)c1ccncc1 258692219 573492552 /nfs/dbraw/zinc/49/25/52/573492552.db2.gz 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/nfs/dbraw/zinc/49/25/96/573492596.db2.gz QPYLAUAGKLAYAL-SECBINFHSA-N 0 0 172.231 1.914 10 0 ADAERN NOCCc1ccc2c(c1F)CCC2 258042393 573492601 /nfs/dbraw/zinc/49/26/01/573492601.db2.gz JUKSBBMIIRWFEC-UHFFFAOYSA-N 0 0 195.237 1.747 10 0 ADAERN COc1c(F)ccc2c1CNC2=O 238408513 573492603 /nfs/dbraw/zinc/49/26/03/573492603.db2.gz YTLWXEJJOWCXJL-UHFFFAOYSA-N 0 0 181.166 1.078 10 0 ADAERN CO[C@@H]1C(=O)[C@H]2CCC=C[C@@H]21 238408200 573492609 /nfs/dbraw/zinc/49/26/09/573492609.db2.gz MWRWNMHACNHVOU-ZKWXMUAHSA-N 0 0 152.193 1.167 10 0 ADAERN COC(=O)[C@H](C)Cc1cocn1 259472332 573492616 /nfs/dbraw/zinc/49/26/16/573492616.db2.gz BRMYNYMEGQNQDS-ZCFIWIBFSA-N 0 0 169.180 1.026 10 0 ADAERN CC[C@H](C)ONC(=O)C1CC(C)C1 308394453 573492626 /nfs/dbraw/zinc/49/26/26/573492626.db2.gz CMFLTKPCFQVHQW-MGURRDGZSA-N 0 0 185.267 1.879 10 0 ADAERN CC(C)(CCO)Nc1cccnc1 258691463 573492634 /nfs/dbraw/zinc/49/26/34/573492634.db2.gz BMMQWGHRJDEHOY-UHFFFAOYSA-N 0 0 180.251 1.655 10 0 ADAERN CSC(=S)S[C@@H]1CC(=O)N1 238408387 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/nfs/dbraw/zinc/49/74/06/573497406.db2.gz KGRGTMTUTDFLBD-UHFFFAOYSA-N 0 0 183.226 1.850 10 0 ADAERN Nc1cc(-c2cccc(O)c2)c[nH]1 258047211 573497431 /nfs/dbraw/zinc/49/74/31/573497431.db2.gz FHDFPIOOODAHGX-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN CO[C@@H](C)CNc1nc(C2CC2)no1 308607600 573497436 /nfs/dbraw/zinc/49/74/36/573497436.db2.gz PVWJXNKXQFHKED-LURJTMIESA-N 0 0 197.238 1.394 10 0 ADAERN O=C1NC[C@@H](C[C@H]2CCCS2)O1 258706914 573497463 /nfs/dbraw/zinc/49/74/63/573497463.db2.gz YKKFUAOLJNCBEC-RNFRBKRXSA-N 0 0 187.264 1.381 10 0 ADAERN CC(=O)c1cnn(C)c1C1CCC1 257821400 573497484 /nfs/dbraw/zinc/49/74/84/573497484.db2.gz FZISJNOTMGBNQS-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN CN(Cc1ccncc1)C(=O)S 258697376 573497488 /nfs/dbraw/zinc/49/74/88/573497488.db2.gz NAEHUCJYDDQULF-UHFFFAOYSA-N 0 0 182.248 1.563 10 0 ADAERN C[C@H]1CCCc2c(N)ncn21 107310432 573497522 /nfs/dbraw/zinc/49/75/22/573497522.db2.gz HFSBYDAMFVQSNA-LURJTMIESA-N 0 0 151.213 1.363 10 0 ADAERN C/C=C\CCNC(=O)C[C@H](C)COC 308393110 573497531 /nfs/dbraw/zinc/49/75/31/573497531.db2.gz RDXQIOZCLDLSRE-LWTINBJPSA-N 0 0 199.294 1.741 10 0 ADAERN COCc1nc2ccc(Cl)cn2n1 258703627 573497549 /nfs/dbraw/zinc/49/75/49/573497549.db2.gz ZYADXCGMAXIRPA-UHFFFAOYSA-N 0 0 197.625 1.529 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]([NH3+])c1cc[nH]c1 259477684 573497589 /nfs/dbraw/zinc/49/75/89/573497589.db2.gz SEHDDOIJCKNRFR-IMTBSYHQSA-N 0 0 182.223 1.125 10 0 ADAERN CC(C)([NH3+])Cc1cc([O-])ccc1C=O 258047672 573497593 /nfs/dbraw/zinc/49/75/93/573497593.db2.gz KHMJWTCOIDKGQA-UHFFFAOYSA-N 0 0 193.246 1.485 10 0 ADAERN CO[C@@]12CCC(=O)[C@@H]1CC2 238420812 573497594 /nfs/dbraw/zinc/49/75/94/573497594.db2.gz BAYQKKDKDCCQRU-XPUUQOCRSA-N 0 0 140.182 1.145 10 0 ADAERN CO[C@]12CC[C@H]1CCC2=O 238420853 573497615 /nfs/dbraw/zinc/49/76/15/573497615.db2.gz URMVYIMQHWEJJA-HTRCEHHLSA-N 0 0 140.182 1.145 10 0 ADAERN C[C@H](C(N)=O)[C@@](C)(O)c1ccccc1 238420595 573497621 /nfs/dbraw/zinc/49/76/21/573497621.db2.gz MAUOWPRYSJJDEE-LDYMZIIASA-N 0 0 193.246 1.016 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)CC1 83428417 573497624 /nfs/dbraw/zinc/49/76/24/573497624.db2.gz CANVBPPLHNZVEF-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN Oc1cccc2c1cc1n2C[C@@H](O)C1 259613074 573497636 /nfs/dbraw/zinc/49/76/36/573497636.db2.gz DSISZWXIRVQNBU-QMMMGPOBSA-N 0 0 189.214 1.264 10 0 ADAERN Cc1cc(C)cc(NCNN)c1 258699531 573497639 /nfs/dbraw/zinc/49/76/39/573497639.db2.gz REVVXTNZRKUICM-UHFFFAOYSA-N 0 0 165.240 1.136 10 0 ADAERN Cc1cccc(CC2(CO)COC2)c1 259477635 573497642 /nfs/dbraw/zinc/49/76/42/573497642.db2.gz SECXTLYXNHNSFA-UHFFFAOYSA-N 0 0 192.258 1.546 10 0 ADAERN CC(C)(C[NH2+]Cc1cc[nH]c1)C(=O)[O-] 258701755 573497646 /nfs/dbraw/zinc/49/76/46/573497646.db2.gz CATNGGFGWMVWPL-UHFFFAOYSA-N 0 0 196.250 1.215 10 0 ADAERN OC[C@H](F)c1ccc2c(c1)OCC2 257821503 573497647 /nfs/dbraw/zinc/49/76/47/573497647.db2.gz DZKUBWYWIRKARL-VIFPVBQESA-N 0 0 182.194 1.624 10 0 ADAERN C[NH2+][C@@H](CCCC(=O)[O-])CC(C)C 259478139 573497658 /nfs/dbraw/zinc/49/76/58/573497658.db2.gz QMARQTRTXQHGSM-VIFPVBQESA-N 0 0 187.283 1.875 10 0 ADAERN C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 83434880 573497666 /nfs/dbraw/zinc/49/76/66/573497666.db2.gz LVXMRSSTRVDNSU-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CCC[C@]2(CC1)NC(=O)NC2=O 83428198 573498104 /nfs/dbraw/zinc/49/81/04/573498104.db2.gz GAPXTDBWSPUPOI-GMSGAONNSA-N 0 0 196.250 1.165 10 0 ADAERN C[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])CC1 83428412 573497686 /nfs/dbraw/zinc/49/76/86/573497686.db2.gz JVLOUGHPLAJSNJ-VXNVDRBHSA-N 0 0 171.240 1.369 10 0 ADAERN CCO[C@@H]1C[C@H]1NC(=O)CC1CC1 308395733 573497701 /nfs/dbraw/zinc/49/77/01/573497701.db2.gz CZRYPQARQILGQH-RKDXNWHRSA-N 0 0 183.251 1.080 10 0 ADAERN CON[C@@H]([C@@H]1CCCO1)C(F)(F)F 308392909 573497708 /nfs/dbraw/zinc/49/77/08/573497708.db2.gz BWZWOYQWHZHCTE-WDSKDSINSA-N 0 0 199.172 1.247 10 0 ADAERN C[NH2+][C@H](C1CCC1)C(C)(C)CC(=O)[O-] 259478200 573497735 /nfs/dbraw/zinc/49/77/35/573497735.db2.gz QMNVMZOJGZTZIL-SNVBAGLBSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H]1CN[C@H](c2ccc(Cl)o2)O1 258700724 573497739 /nfs/dbraw/zinc/49/77/39/573497739.db2.gz UPHINGRCBKBZQE-XRGYYRRGSA-N 0 0 187.626 1.940 10 0 ADAERN CC[C@@H](O)[C@@H](CC)OC 124503305 573497767 /nfs/dbraw/zinc/49/77/67/573497767.db2.gz XXDVWNGTBLQGRK-RNFRBKRXSA-N 0 0 132.203 1.182 10 0 ADAERN CNc1cc(C)nc([C@H](C)OC)n1 86590700 573497809 /nfs/dbraw/zinc/49/78/09/573497809.db2.gz PCBLVMFZZDJGMI-ZETCQYMHSA-N 0 0 181.239 1.534 10 0 ADAERN CNc1cc(N)nn1-c1ccccc1 107305224 573497821 /nfs/dbraw/zinc/49/78/21/573497821.db2.gz PVQWFHSDDNARGV-UHFFFAOYSA-N 0 0 188.234 1.496 10 0 ADAERN C[C@@H]1CCC[C@@]2(CC1)NC(=O)NC2=O 83428200 573497836 /nfs/dbraw/zinc/49/78/36/573497836.db2.gz GAPXTDBWSPUPOI-XCBNKYQSSA-N 0 0 196.250 1.165 10 0 ADAERN CC(C)[C@H](C[NH2+]C(C)(C)C)C(=O)[O-] 258701754 573497848 /nfs/dbraw/zinc/49/78/48/573497848.db2.gz RLMAQMLQQWKSCU-QMMMGPOBSA-N 0 0 187.283 1.731 10 0 ADAERN C[C@@H](ON)[C@@H]1CCSC1 259474626 573497851 /nfs/dbraw/zinc/49/78/51/573497851.db2.gz ODZLFJOYYLOXQP-PHDIDXHHSA-N 0 0 147.243 1.018 10 0 ADAERN CCN(C[C@H](C)O)C(=O)CC1CC1 308397545 573497852 /nfs/dbraw/zinc/49/78/52/573497852.db2.gz FGRHADTVAQPTBP-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN c1ccn2nc(C3CCC3)nc2c1 258047582 573497855 /nfs/dbraw/zinc/49/78/55/573497855.db2.gz UFDHUYLNCRBOJY-UHFFFAOYSA-N 0 0 173.219 1.997 10 0 ADAERN CCc1cc(NC)nc([C@H](C)OC)n1 86590728 573497877 /nfs/dbraw/zinc/49/78/77/573497877.db2.gz COGJJJIGWIGWQH-ZETCQYMHSA-N 0 0 195.266 1.788 10 0 ADAERN OC/C=C\C[C@H]1CCCCO1 258047022 573497880 /nfs/dbraw/zinc/49/78/80/573497880.db2.gz CVGWPYGYGNRVMF-MBMUTDPPSA-N 0 0 156.225 1.494 10 0 ADAERN C[C@@H](ON)[C@H]1CCSC1 259474627 573497907 /nfs/dbraw/zinc/49/79/07/573497907.db2.gz ODZLFJOYYLOXQP-RITPCOANSA-N 0 0 147.243 1.018 10 0 ADAERN CCn1nc(C)cc1[C@@H](O)C(C)C 642816915 573497917 /nfs/dbraw/zinc/49/79/17/573497917.db2.gz RJBMEPUFTCMEQX-JTQLQIEISA-N 0 0 182.267 1.230 10 0 ADAERN COc1nccc2c1NCC2 211854573 573497918 /nfs/dbraw/zinc/49/79/18/573497918.db2.gz YBEAGCJGBAVMCW-UHFFFAOYSA-N 0 0 150.181 1.058 10 0 ADAERN C[C@@H](O)Cc1ccccc1CNO 259477132 573497923 /nfs/dbraw/zinc/49/79/23/573497923.db2.gz OTBQEDMPHCYFNP-MRVPVSSYSA-N 0 0 181.235 1.089 10 0 ADAERN COCC[C@@](C)(O)Cc1ccoc1 130259977 573497941 /nfs/dbraw/zinc/49/79/41/573497941.db2.gz WCTZCMNKBKIXLT-SNVBAGLBSA-N 0 0 184.235 1.610 10 0 ADAERN CCc1ccc(NCNN)cc1 258699533 573497942 /nfs/dbraw/zinc/49/79/42/573497942.db2.gz REZHURGVZXUVGV-UHFFFAOYSA-N 0 0 165.240 1.082 10 0 ADAERN CCNc1ccnc([C@H](C)OC)n1 86590751 573497975 /nfs/dbraw/zinc/49/79/75/573497975.db2.gz COAMAJJUMRNEDB-ZETCQYMHSA-N 0 0 181.239 1.616 10 0 ADAERN c1nscc1OC1CCOCC1 258705294 573497985 /nfs/dbraw/zinc/49/79/85/573497985.db2.gz UUFBZGDAWITBJT-UHFFFAOYSA-N 0 0 185.248 1.701 10 0 ADAERN COCCNc1cccnc1N(C)C 308607375 573497988 /nfs/dbraw/zinc/49/79/88/573497988.db2.gz WWNUMCQHCWPTCC-UHFFFAOYSA-N 0 0 195.266 1.206 10 0 ADAERN CNc1cc(N)n(-c2ccccc2)n1 107305260 573498061 /nfs/dbraw/zinc/49/80/61/573498061.db2.gz DNQJQFRQDYINJN-UHFFFAOYSA-N 0 0 188.234 1.496 10 0 ADAERN CCC[C@@H]1CC[NH2+][C@](C)(C(=O)[O-])C1 258499869 573498005 /nfs/dbraw/zinc/49/80/05/573498005.db2.gz JZGXLPWTXQHREK-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CO[C@H](C)c1ncc(C=O)s1 86590266 573498011 /nfs/dbraw/zinc/49/80/11/573498011.db2.gz ZHIJYMBNKKELSE-RXMQYKEDSA-N 0 0 171.221 1.663 10 0 ADAERN C[C@@H]1CCC[C@@]([NH3+])(c2ncon2)CC1 83434367 573498013 /nfs/dbraw/zinc/49/80/13/573498013.db2.gz QUZZZTJHHOZFHE-SCZZXKLOSA-N 0 0 195.266 1.824 10 0 ADAERN C[C@@H]1CCn2cnc(N)c2C1 107310134 573498018 /nfs/dbraw/zinc/49/80/18/573498018.db2.gz UXRBBLMXMWKGGV-ZCFIWIBFSA-N 0 0 151.213 1.048 10 0 ADAERN CO[C@H](C)c1nc(C)cc(C=O)n1 86591111 573498031 /nfs/dbraw/zinc/49/80/31/573498031.db2.gz JNAGROLKMMDOFX-SSDOTTSWSA-N 0 0 180.207 1.305 10 0 ADAERN Cc1ccc(CCN(C)C(N)=O)o1 258706545 573498049 /nfs/dbraw/zinc/49/80/49/573498049.db2.gz NWNLQRRFJHMWTM-UHFFFAOYSA-N 0 0 182.223 1.141 10 0 ADAERN C[C@H]1CCC[C@@]2(CC1)[NH2+]CCNC2=O 83434694 573498064 /nfs/dbraw/zinc/49/80/64/573498064.db2.gz JHSIIIQKQVSSEW-ONGXEEELSA-N 0 0 196.294 1.045 10 0 ADAERN COCCOc1cc(C)c(C)nn1 308393501 573498341 /nfs/dbraw/zinc/49/83/41/573498341.db2.gz CDVMHMPHXDBKIS-UHFFFAOYSA-N 0 0 182.223 1.119 10 0 ADAERN CO[C@H](C)c1nc(C)c(C)c(N)n1 86590689 573498346 /nfs/dbraw/zinc/49/83/46/573498346.db2.gz YROHEGJTJHIDGC-SSDOTTSWSA-N 0 0 181.239 1.383 10 0 ADAERN CC(=O)C[C@H]1CCSC[C@@H]1O 259613234 573498358 /nfs/dbraw/zinc/49/83/58/573498358.db2.gz DSKXYEAWDFZZIN-SFYZADRCSA-N 0 0 174.265 1.080 10 0 ADAERN C[C@H](O)C(=C1CC1)C1CC1 238418341 573498364 /nfs/dbraw/zinc/49/83/64/573498364.db2.gz GWEFGCHYINBRRQ-LURJTMIESA-N 0 0 138.210 1.868 10 0 ADAERN C[NH2+][C@@H](C1CCCC1)[C@@H](C)C(=O)[O-] 259478320 573498380 /nfs/dbraw/zinc/49/83/80/573498380.db2.gz QNXFJHFAHNXXFW-VXNVDRBHSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1cc(C=O)c(CNO)cc1F 258047634 573498386 /nfs/dbraw/zinc/49/83/86/573498386.db2.gz KGRZONOFAHXUKA-UHFFFAOYSA-N 0 0 183.182 1.425 10 0 ADAERN CO[C@@]12CC(C)(C)[C@@H](O)[C@@H](C=C1C)O2 238418563 573498416 /nfs/dbraw/zinc/49/84/16/573498416.db2.gz VRLXDPJYWBLGKU-WCABBAIRSA-N 0 0 198.262 1.465 10 0 ADAERN CC(C)(C)NC(=O)OC1CC(O)C1 224192525 573498433 /nfs/dbraw/zinc/49/84/33/573498433.db2.gz QLYDFUISJSRGPK-UHFFFAOYSA-N 0 0 187.239 1.034 10 0 ADAERN Cc1c(O)cccc1-c1cc(N)on1 258047628 573498456 /nfs/dbraw/zinc/49/84/56/573498456.db2.gz KGRCYKDIZWUCOE-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CNc1nc([C@@H](C)OC)nc(C)c1C 86590757 573498460 /nfs/dbraw/zinc/49/84/60/573498460.db2.gz OBNYROMZUYDLNW-MRVPVSSYSA-N 0 0 195.266 1.843 10 0 ADAERN CO[C@]12C=CC=C[C@H]1C(C)(C)C2=O 238418095 573498474 /nfs/dbraw/zinc/49/84/74/573498474.db2.gz PFFLOCKHCWIQNL-GZMMTYOYSA-N 0 0 178.231 1.723 10 0 ADAERN CNc1cc(NC2CC2)n[nH]1 107305610 573498480 /nfs/dbraw/zinc/49/84/80/573498480.db2.gz MUYHIDLRPVKJPJ-UHFFFAOYSA-N 0 0 152.201 1.026 10 0 ADAERN CN(C(N)=O)c1ccc(Cl)s1 258697225 573498482 /nfs/dbraw/zinc/49/84/82/573498482.db2.gz MUEMSLPEZPDVGT-UHFFFAOYSA-N 0 0 190.655 1.916 10 0 ADAERN CSc1ccc(O)c2c1[C@H]([NH3+])CO2 238418178 573498494 /nfs/dbraw/zinc/49/84/94/573498494.db2.gz MHKNRGJCRZYDLL-RXMQYKEDSA-N 0 0 197.259 1.506 10 0 ADAERN CCCc1coc(NC)n1 258703696 573498509 /nfs/dbraw/zinc/49/85/09/573498509.db2.gz YEYCLOMKIIVJTH-UHFFFAOYSA-N 0 0 140.186 1.669 10 0 ADAERN CC(C)=CCC[C@H](C)C(N)=O 238418507 573498520 /nfs/dbraw/zinc/49/85/20/573498520.db2.gz JJTXTVGLXYDJAX-QMMMGPOBSA-N 0 0 155.241 1.854 10 0 ADAERN C[C@H](O)Cc1ccccc1CNO 259477135 573498529 /nfs/dbraw/zinc/49/85/29/573498529.db2.gz OTBQEDMPHCYFNP-QMMMGPOBSA-N 0 0 181.235 1.089 10 0 ADAERN CC[C@@H](C)n1ncc(N)c1C(C)C 642832800 573498546 /nfs/dbraw/zinc/49/85/46/573498546.db2.gz RWUOAGLJZSMDRO-MRVPVSSYSA-N 0 0 180.275 1.716 10 0 ADAERN COc1ncc(N)c(C(F)F)c1N 238417384 573498562 /nfs/dbraw/zinc/49/85/62/573498562.db2.gz AIZOOWFVLVIHQD-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN C[C@H]1CN[C@@H](c2ccc(Cl)o2)O1 258700730 573498567 /nfs/dbraw/zinc/49/85/67/573498567.db2.gz UPHINGRCBKBZQE-YLWLKBPMSA-N 0 0 187.626 1.940 10 0 ADAERN C[C@@H]1CCC[C@]2(CC1)CC(=O)N2 83434871 573498576 /nfs/dbraw/zinc/49/85/76/573498576.db2.gz NBBTWEIGXDUYBY-SCZZXKLOSA-N 0 0 167.252 1.845 10 0 ADAERN CCc1c(C)nc([C@@H](C)OC)nc1N 86590662 573498580 /nfs/dbraw/zinc/49/85/80/573498580.db2.gz HHFQRVKEQOJDAH-SSDOTTSWSA-N 0 0 195.266 1.637 10 0 ADAERN C[C@@H]1CC(=S)NC(=S)S1 238417695 573498601 /nfs/dbraw/zinc/49/86/01/573498601.db2.gz MDVIRMZURRUKFK-GSVOUGTGSA-N 0 0 177.319 1.714 10 0 ADAERN COc1ncc(N)c(C(F)F)c1O 238417417 573498607 /nfs/dbraw/zinc/49/86/07/573498607.db2.gz UZWOFDYEGRATBF-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CSCCCn1ccc(=O)cc1 130251823 573498615 /nfs/dbraw/zinc/49/86/15/573498615.db2.gz BANHDVZTCPUKSP-UHFFFAOYSA-N 0 0 183.276 1.601 10 0 ADAERN C[C@H]1CCC[C@@]([NH3+])(c2ncon2)CC1 83434368 573498635 /nfs/dbraw/zinc/49/86/35/573498635.db2.gz QUZZZTJHHOZFHE-WPRPVWTQSA-N 0 0 195.266 1.824 10 0 ADAERN CCCCC[NH2+]CC1(C(=O)[O-])CC1 258697348 573498640 /nfs/dbraw/zinc/49/86/40/573498640.db2.gz QXZQSVXEJBFPHH-UHFFFAOYSA-N 0 0 185.267 1.631 10 0 ADAERN CO[C@H](C)c1ncc([C@H](C)O)s1 86590592 573498660 /nfs/dbraw/zinc/49/86/60/573498660.db2.gz OTLRBBUKVLQSIL-NTSWFWBYSA-N 0 0 187.264 1.904 10 0 ADAERN Cc1c[nH]c2ccc(CON)c(O)c12 258047667 573498664 /nfs/dbraw/zinc/49/86/64/573498664.db2.gz KHFZABWZRZXRHN-UHFFFAOYSA-N 0 0 192.218 1.572 10 0 ADAERN COc1cc(N)nn1-c1ccccc1 107306403 573498685 /nfs/dbraw/zinc/49/86/85/573498685.db2.gz BCXKCWWGTTZHOD-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN S=c1[nH]cc[nH]c1=S 5426213 573498687 /nfs/dbraw/zinc/49/86/87/573498687.db2.gz XUNLTYLWCMUZFO-UHFFFAOYSA-N 0 0 144.224 1.802 10 0 ADAERN CC(C)(C)[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 258759412 573498697 /nfs/dbraw/zinc/49/86/97/573498697.db2.gz XQZNOCXYHZUUSY-RNFRBKRXSA-N 0 0 171.240 1.095 10 0 ADAERN Cn1c([C@H]2CCOC2)cnc1Cl 258697711 573498707 /nfs/dbraw/zinc/49/87/07/573498707.db2.gz ZMYGJPLGOROCKX-LURJTMIESA-N 0 0 186.642 1.577 10 0 ADAERN C[C@H]1[NH2+]Cc2[n-]n(C(C)(C)C)c(=O)c21 258044844 573498739 /nfs/dbraw/zinc/49/87/39/573498739.db2.gz JOTSUFAUCIUUTE-ZCFIWIBFSA-N 0 0 195.266 1.508 10 0 ADAERN C[C@H]1CCCn2cnc(N)c21 107309913 573498753 /nfs/dbraw/zinc/49/87/53/573498753.db2.gz OLOKCSPSDIWWJA-LURJTMIESA-N 0 0 151.213 1.363 10 0 ADAERN OCc1cc(-c2cccc(O)c2)on1 258403885 573498755 /nfs/dbraw/zinc/49/87/55/573498755.db2.gz CKXAMRVFOFZSIS-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN Cc1ccc([C@H]([NH3+])C[C@H](C)C(=O)[O-])o1 259108185 573498769 /nfs/dbraw/zinc/49/87/69/573498769.db2.gz BIXZZAXOVNRONN-POYBYMJQSA-N 0 0 197.234 1.699 10 0 ADAERN C[C@H](O)C(F)(F)C(F)(F)[C@H](C)O 238418765 573498775 /nfs/dbraw/zinc/49/87/75/573498775.db2.gz LUZWHQPUXUSBCL-IMJSIDKUSA-N 0 0 190.136 1.019 10 0 ADAERN CO[C@@H](C)c1nc(C)c(C)c(N)n1 86590692 573498803 /nfs/dbraw/zinc/49/88/03/573498803.db2.gz YROHEGJTJHIDGC-ZETCQYMHSA-N 0 0 181.239 1.383 10 0 ADAERN Cc1nccnc1[C@@H]1C[C@@H](O)[C@@H]1C 235612210 573498818 /nfs/dbraw/zinc/49/88/18/573498818.db2.gz DYEZNXBJMFOLJK-FTLITQJKSA-N 0 0 178.235 1.269 10 0 ADAERN C[C@@H](O)Cc1ccc(C2COC2)cc1 258047617 573498819 /nfs/dbraw/zinc/49/88/19/573498819.db2.gz KGMIRQARJJJPIC-SECBINFHSA-N 0 0 192.258 1.724 10 0 ADAERN COC(=O)[C@H](CC1COC1)C(C)C 258701411 573498824 /nfs/dbraw/zinc/49/88/24/573498824.db2.gz XYXVFHWIRDWAJO-SECBINFHSA-N 0 0 186.251 1.468 10 0 ADAERN CCOC(=O)NC[C@](C)(CC)CO 308398127 573498828 /nfs/dbraw/zinc/49/88/28/573498828.db2.gz FPRYUWIYJPJEQI-VIFPVBQESA-N 0 0 189.255 1.141 10 0 ADAERN CC[C@@]1(C)OC[C@H](CC(=O)OC)O1 258704528 573498833 /nfs/dbraw/zinc/49/88/33/573498833.db2.gz NKVMHJHNJOJIQH-CBAPKCEASA-N 0 0 188.223 1.091 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]([NH3+])c1cc[nH]c1 259477691 573498834 /nfs/dbraw/zinc/49/88/34/573498834.db2.gz SEHDDOIJCKNRFR-RCOVLWMOSA-N 0 0 182.223 1.125 10 0 ADAERN CN1CCCNc2c(O)cccc21 258403873 573498859 /nfs/dbraw/zinc/49/88/59/573498859.db2.gz CKQONDVPGYMODZ-UHFFFAOYSA-N 0 0 178.235 1.644 10 0 ADAERN CONCc1cc(O)c(F)cc1F 258047657 573498864 /nfs/dbraw/zinc/49/88/64/573498864.db2.gz KHBPERKFNCEKRR-UHFFFAOYSA-N 0 0 189.161 1.321 10 0 ADAERN CC(C)n1nc(N(C)C)cc1N 107305073 573498865 /nfs/dbraw/zinc/49/88/65/573498865.db2.gz UAQVOKSURAQLCK-UHFFFAOYSA-N 0 0 168.244 1.112 10 0 ADAERN CO[C@H](C)c1nc([C@H](C)O)cs1 86590602 573498867 /nfs/dbraw/zinc/49/88/67/573498867.db2.gz FPWYPRPGNURMGO-NTSWFWBYSA-N 0 0 187.264 1.904 10 0 ADAERN O=C(OCC1=CCCCO1)C1CC1 308398615 573498878 /nfs/dbraw/zinc/49/88/78/573498878.db2.gz GVLNJVHRRVZTTN-UHFFFAOYSA-N 0 0 182.219 1.634 10 0 ADAERN CC(C)C(=O)[C@@H](O)c1ccncc1 258706300 573498882 /nfs/dbraw/zinc/49/88/82/573498882.db2.gz HLZRHVKVWXJLLW-JTQLQIEISA-N 0 0 179.219 1.340 10 0 ADAERN CO[C@]1(Cl)CCCC[C@@H]1O 238417563 573498908 /nfs/dbraw/zinc/49/89/08/573498908.db2.gz NLFGQEQSJRJWKK-NKWVEPMBSA-N 0 0 164.632 1.503 10 0 ADAERN C[C@H]1C=CC(C2=NC(C)(C)CO2)=CN1 238418687 573498926 /nfs/dbraw/zinc/49/89/26/573498926.db2.gz IOWTYANVKYJIMP-QMMMGPOBSA-N 0 0 192.262 1.626 10 0 ADAERN C[C@@H]1CCC[C@](C(=O)[O-])([NH+](C)C)CC1 83434571 573498973 /nfs/dbraw/zinc/49/89/73/573498973.db2.gz KPIQGUPBNFATPI-KOLCDFICSA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)[C@@]1(O)CCC[C@H](C)CC1 83434658 573498995 /nfs/dbraw/zinc/49/89/95/573498995.db2.gz VCXMXDQURAFNNB-WCBMZHEXSA-N 0 0 186.251 1.491 10 0 ADAERN CC(C)Cc1cn2c(n1)CC[C@@H](O)C2 258696258 573499034 /nfs/dbraw/zinc/49/90/34/573499034.db2.gz YFBAQTYZNAOSFU-SNVBAGLBSA-N 0 0 194.278 1.389 10 0 ADAERN CC(=O)c1cnn(C2CSC2)c1 257822015 573499134 /nfs/dbraw/zinc/49/91/34/573499134.db2.gz GAKSXZJDKGBMOC-UHFFFAOYSA-N 0 0 182.248 1.374 10 0 ADAERN C[C@@H](O)c1ccc2c(c1O)OCCO2 258047693 573499046 /nfs/dbraw/zinc/49/90/46/573499046.db2.gz KIALRNMNFXFSCG-ZCFIWIBFSA-N 0 0 196.202 1.217 10 0 ADAERN C[C@@H]1CCc2cccc(CO)c2N1 238417530 573499063 /nfs/dbraw/zinc/49/90/63/573499063.db2.gz VMGVUCMVPVMORU-MRVPVSSYSA-N 0 0 177.247 1.926 10 0 ADAERN C[C@@H](C(N)=O)[C@@](C)(O)c1ccccc1 238418294 573499072 /nfs/dbraw/zinc/49/90/72/573499072.db2.gz MAUOWPRYSJJDEE-GZMMTYOYSA-N 0 0 193.246 1.016 10 0 ADAERN CC(C)n1cnc2c1CNC2 107308077 573499080 /nfs/dbraw/zinc/49/90/80/573499080.db2.gz GZXKKGXGZOCDPT-UHFFFAOYSA-N 0 0 151.213 1.067 10 0 ADAERN Cc1nc2c(n1C(C)C)CNC2 107308073 573499089 /nfs/dbraw/zinc/49/90/89/573499089.db2.gz NWYAGJCPKLZHSO-UHFFFAOYSA-N 0 0 165.240 1.376 10 0 ADAERN CO[C@H](C)c1ncc(C[NH3+])s1 86590335 573499091 /nfs/dbraw/zinc/49/90/91/573499091.db2.gz VCEMYXIZAQLRLV-RXMQYKEDSA-N 0 0 172.253 1.309 10 0 ADAERN Cc1c(F)cc(C[NH3+])cc1C(=O)[O-] 258047709 573499103 /nfs/dbraw/zinc/49/91/03/573499103.db2.gz KIJGEUKKLCRNTL-UHFFFAOYSA-N 0 0 183.182 1.291 10 0 ADAERN CC[C@H](CC1CC1)NC(=O)[C@@H](C)O 308397872 573499572 /nfs/dbraw/zinc/49/95/72/573499572.db2.gz FLLMMKVCYSNXHZ-VXNVDRBHSA-N 0 0 185.267 1.062 10 0 ADAERN COc1cc(CCO)c(O)cc1F 258047687 573499547 /nfs/dbraw/zinc/49/95/47/573499547.db2.gz KHZHCQRGTDNMQL-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN Cc1cc(C)c(NCNN)c(C)c1 258697481 573499409 /nfs/dbraw/zinc/49/94/09/573499409.db2.gz RBCYDGURPRRZIT-UHFFFAOYSA-N 0 0 179.267 1.445 10 0 ADAERN CO[C@]12C=CC=C[C@@H]1C(C)(C)C2=O 238418079 573499413 /nfs/dbraw/zinc/49/94/13/573499413.db2.gz PFFLOCKHCWIQNL-LDYMZIIASA-N 0 0 178.231 1.723 10 0 ADAERN Nc1c(C2CC2)cnnc1Cl 258047595 573499421 /nfs/dbraw/zinc/49/94/21/573499421.db2.gz UGBKZULFISCZAM-UHFFFAOYSA-N 0 0 169.615 1.590 10 0 ADAERN CC(=O)C[C@@H]1CCSC[C@@H]1O 259613266 573499427 /nfs/dbraw/zinc/49/94/27/573499427.db2.gz DSKXYEAWDFZZIN-YUMQZZPRSA-N 0 0 174.265 1.080 10 0 ADAERN CO[C@H](C)c1nc([C@@H](C)O)cs1 86590603 573499433 /nfs/dbraw/zinc/49/94/33/573499433.db2.gz FPWYPRPGNURMGO-PHDIDXHHSA-N 0 0 187.264 1.904 10 0 ADAERN COc1ncc(N)c(C)c1C(F)F 238417500 573499462 /nfs/dbraw/zinc/49/94/62/573499462.db2.gz MUWGKSFTZQGZCY-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CSCC(=O)C1=CCC=C1 238417432 573499487 /nfs/dbraw/zinc/49/94/87/573499487.db2.gz KOEVQWWJHITNKJ-UHFFFAOYSA-N 0 0 153.226 1.951 10 0 ADAERN CCC[C@H]1CC[NH2+][C@](C)(C(=O)[O-])C1 258499875 573499490 /nfs/dbraw/zinc/49/94/90/573499490.db2.gz JZGXLPWTXQHREK-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H]1CCc2cccc(C(N)=O)c2N1 238417449 573499491 /nfs/dbraw/zinc/49/94/91/573499491.db2.gz QRZVCIQWTHHLQY-SSDOTTSWSA-N 0 0 190.246 1.532 10 0 ADAERN CC(C)Cc1nc2n(n1)CCCC2 258696321 573499498 /nfs/dbraw/zinc/49/94/98/573499498.db2.gz YFLWWYKVWDKYQX-UHFFFAOYSA-N 0 0 179.267 1.813 10 0 ADAERN C[C@H]1CCC[C@]([NH3+])(C(=O)[O-])CC1 83428413 573499499 /nfs/dbraw/zinc/49/94/99/573499499.db2.gz JVLOUGHPLAJSNJ-IONNQARKSA-N 0 0 171.240 1.369 10 0 ADAERN CO[C@]12C=CNC(=O)[C@H]1CC2(C)C 238418163 573499529 /nfs/dbraw/zinc/49/95/29/573499529.db2.gz GEZSVYMCYOCQDP-GMSGAONNSA-N 0 0 181.235 1.061 10 0 ADAERN C[C@H]1C[C@@]1(C)c1ncc[nH]c1=O 714703388 573499578 /nfs/dbraw/zinc/49/95/78/573499578.db2.gz ADFLZXCWZQNUPV-IMTBSYHQSA-N 0 0 164.208 1.067 10 0 ADAERN C[C@H](ON)[C@H]1CCSC1 259474629 573499590 /nfs/dbraw/zinc/49/95/90/573499590.db2.gz ODZLFJOYYLOXQP-WDSKDSINSA-N 0 0 147.243 1.018 10 0 ADAERN C[C@@H]1O[C@@H]1C(=O)Cc1ccccc1 238418258 573499659 /nfs/dbraw/zinc/49/96/59/573499659.db2.gz VGDHPCSZCITQCC-KWQFWETISA-N 0 0 176.215 1.586 10 0 ADAERN CNc1nc([C@H](C)OC)nc(C)c1F 86590810 573499632 /nfs/dbraw/zinc/49/96/32/573499632.db2.gz YWKBSMUNCAPAKS-LURJTMIESA-N 0 0 199.229 1.673 10 0 ADAERN C[C@H](C(=O)[O-])C1C[NH+]([C@H](C)C2CC2)C1 130242721 573499640 /nfs/dbraw/zinc/49/96/40/573499640.db2.gz IJPGTCQNKLHYSX-JGVFFNPUSA-N 0 0 197.278 1.437 10 0 ADAERN C[C@@]12CC(=O)O[C@@H]1CCCC2=O 238417682 573499653 /nfs/dbraw/zinc/49/96/53/573499653.db2.gz OLBFWZYUMKDIEC-APPZFPTMSA-N 0 0 168.192 1.061 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@@H](O)CCC1=O 238418374 573502671 /nfs/dbraw/zinc/50/26/71/573502671.db2.gz NYOXRAPWBBLTEQ-PRJMDXOYSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1ccc(C2=NO[C@H](C)NC2)cc1 238418784 573502678 /nfs/dbraw/zinc/50/26/78/573502678.db2.gz WCAQTZKLNNEPNX-SECBINFHSA-N 0 0 190.246 1.665 10 0 ADAERN CC[C@@H](CO)CC(C)(C)OC 393638996 573502707 /nfs/dbraw/zinc/50/27/07/573502707.db2.gz RBSJQVFBUMYIDN-MRVPVSSYSA-N 0 0 160.257 1.820 10 0 ADAERN CCc1cc(N)nc([C@@H](C)OC)n1 86590672 573502714 /nfs/dbraw/zinc/50/27/14/573502714.db2.gz DICCJFXLVKMRTD-ZCFIWIBFSA-N 0 0 181.239 1.329 10 0 ADAERN CCCCNC(=O)[C@@H]1CCC[C@H]1O 308398899 573502772 /nfs/dbraw/zinc/50/27/72/573502772.db2.gz GDNOTCMVPXFMKJ-RKDXNWHRSA-N 0 0 185.267 1.064 10 0 ADAERN CCCOc1cnsc1 258701058 573502195 /nfs/dbraw/zinc/50/21/95/573502195.db2.gz UQYYNXAZGPXIIK-UHFFFAOYSA-N 0 0 143.211 1.932 10 0 ADAERN C/C=C\CN1CCCC[C@H]1C(=O)OC 308399167 573502720 /nfs/dbraw/zinc/50/27/20/573502720.db2.gz UYPXFFQWHXXHTM-XOULXFPDSA-N 0 0 197.278 1.590 10 0 ADAERN COC(=O)CCCc1cc(C)ns1 259480741 573502775 /nfs/dbraw/zinc/50/27/75/573502775.db2.gz AHDLVGQAEJURMW-UHFFFAOYSA-N 0 0 199.275 1.947 10 0 ADAERN COc1cccc(CON)c1SC 258049900 573502748 /nfs/dbraw/zinc/50/27/48/573502748.db2.gz GUZUUSKXTKCMCE-UHFFFAOYSA-N 0 0 199.275 1.807 10 0 ADAERN CSCC1COC(C)(C)OC1 238418143 573502750 /nfs/dbraw/zinc/50/27/50/573502750.db2.gz MUSOSHDDZRGQII-UHFFFAOYSA-N 0 0 176.281 1.749 10 0 ADAERN C[C@@H]1O[C@@H](O)Cc2ccccc21 238417481 573502757 /nfs/dbraw/zinc/50/27/57/573502757.db2.gz PBYVIHZLZCRHRN-OIBJUYFYSA-N 0 0 164.204 1.639 10 0 ADAERN Cc1cc(CO)c2c(c1C)OCO2 258050458 573502767 /nfs/dbraw/zinc/50/27/67/573502767.db2.gz RFWXCFBOSBCNJP-UHFFFAOYSA-N 0 0 180.203 1.524 10 0 ADAERN CC(C)(O)c1ccc(F)cc1C=O 258047647 573501380 /nfs/dbraw/zinc/50/13/80/573501380.db2.gz KGVDUKLOOTZCRR-UHFFFAOYSA-N 0 0 182.194 1.866 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](C)CC1 83428418 573501403 /nfs/dbraw/zinc/50/14/03/573501403.db2.gz CANVBPPLHNZVEF-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 258759404 573501405 /nfs/dbraw/zinc/50/14/05/573501405.db2.gz XQZNOCXYHZUUSY-BQBZGAKWSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@H]1CCC[C@@](C(=O)[O-])([NH+](C)C)CC1 83434570 573501406 /nfs/dbraw/zinc/50/14/06/573501406.db2.gz KPIQGUPBNFATPI-GXSJLCMTSA-N 0 0 199.294 1.972 10 0 ADAERN CCOC(=O)NC[C@@](C)(CC)CO 308398126 573501416 /nfs/dbraw/zinc/50/14/16/573501416.db2.gz FPRYUWIYJPJEQI-SECBINFHSA-N 0 0 189.255 1.141 10 0 ADAERN CO[C@@H](C)c1nc([C@@H](C)[NH3+])cs1 86590413 573501418 /nfs/dbraw/zinc/50/14/18/573501418.db2.gz BBDUADKANADGSV-RITPCOANSA-N 0 0 186.280 1.870 10 0 ADAERN COC(=O)C[C@H](O)c1cc(C)oc1C 308608146 573501423 /nfs/dbraw/zinc/50/14/23/573501423.db2.gz XISBSNVKIOUHLU-VIFPVBQESA-N 0 0 198.218 1.493 10 0 ADAERN C[C@H]1CCC[C@]2(CC1)CC(=O)N2 83434872 573501434 /nfs/dbraw/zinc/50/14/34/573501434.db2.gz NBBTWEIGXDUYBY-WPRPVWTQSA-N 0 0 167.252 1.845 10 0 ADAERN COc1ccc(C)cc1[C@H](N)C(C)=O 259478315 573501456 /nfs/dbraw/zinc/50/14/56/573501456.db2.gz XZUHHEDHRVFQKR-LLVKDONJSA-N 0 0 193.246 1.592 10 0 ADAERN C[NH2+][C@H](C1CCCC1)[C@H](C)C(=O)[O-] 259478316 573501473 /nfs/dbraw/zinc/50/14/73/573501473.db2.gz QNXFJHFAHNXXFW-CBAPKCEASA-N 0 0 185.267 1.485 10 0 ADAERN O=CC(=O)Nc1ccc(F)c(F)c1 258699896 573501474 /nfs/dbraw/zinc/50/14/74/573501474.db2.gz NFCHBAOZMKLPHZ-UHFFFAOYSA-N 0 0 185.129 1.102 10 0 ADAERN COc1ncc(N)cc1C(F)F 238417904 573502790 /nfs/dbraw/zinc/50/27/90/573502790.db2.gz YQEQKUHXZPHHJQ-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN COc1noc(N)c1Br 107315694 573501477 /nfs/dbraw/zinc/50/14/77/573501477.db2.gz YKUDCZFOXONXBM-UHFFFAOYSA-N 0 0 193.000 1.028 10 0 ADAERN CO[C@@H](C)c1nc(C)c(C[NH3+])s1 86591036 573501478 /nfs/dbraw/zinc/50/14/78/573501478.db2.gz UMRCQCLEHKDOAN-LURJTMIESA-N 0 0 186.280 1.618 10 0 ADAERN Nc1cccc(O)c1C1(O)CCCC1 259474583 573501479 /nfs/dbraw/zinc/50/14/79/573501479.db2.gz OCRUYEHNEQZBBR-UHFFFAOYSA-N 0 0 193.246 1.736 10 0 ADAERN O=C(CC1CCC1)O[C@@H]1CCOC1 308398566 573501480 /nfs/dbraw/zinc/50/14/80/573501480.db2.gz GUENCENCSSSIIX-SECBINFHSA-N 0 0 184.235 1.509 10 0 ADAERN CCc1ccc(F)c(C(=O)CN)c1F 258046878 573501482 /nfs/dbraw/zinc/50/14/82/573501482.db2.gz GNSOIOKENKUYLN-UHFFFAOYSA-N 0 0 199.200 1.669 10 0 ADAERN CNOC/C=C/c1ccccc1 258706099 573501484 /nfs/dbraw/zinc/50/14/84/573501484.db2.gz YGOBQTCKZLCUCE-VMPITWQZSA-N 0 0 163.220 1.851 10 0 ADAERN Cc1ccc(C(=O)[C@H]2O[C@H]2C)cc1 238418526 573501494 /nfs/dbraw/zinc/50/14/94/573501494.db2.gz OSOTZQIJCDDFEI-KWQFWETISA-N 0 0 176.215 1.965 10 0 ADAERN CO[C@H](C)CNc1nc(C2CC2)no1 308607605 573501497 /nfs/dbraw/zinc/50/14/97/573501497.db2.gz PVWJXNKXQFHKED-ZCFIWIBFSA-N 0 0 197.238 1.394 10 0 ADAERN CON(C)Cc1nccn1C(F)F 308397830 573501506 /nfs/dbraw/zinc/50/15/06/573501506.db2.gz FIIHOWYZNATSLU-UHFFFAOYSA-N 0 0 191.181 1.271 10 0 ADAERN C[C@H]1CCC[C@]([NH3+])(c2ncon2)CC1 83434366 573501562 /nfs/dbraw/zinc/50/15/62/573501562.db2.gz QUZZZTJHHOZFHE-WCBMZHEXSA-N 0 0 195.266 1.824 10 0 ADAERN C[C@@H]1C[C@@H](C)C(=O)[C@@](C)(O)C1 238418553 573501634 /nfs/dbraw/zinc/50/16/34/573501634.db2.gz RBNIPCOCTSCMOJ-BHNWBGBOSA-N 0 0 156.225 1.373 10 0 ADAERN CO[C@]1(Cl)CCCC[C@H]1O 238417578 573501563 /nfs/dbraw/zinc/50/15/63/573501563.db2.gz NLFGQEQSJRJWKK-RNFRBKRXSA-N 0 0 164.632 1.503 10 0 ADAERN COc1ncc(N)c(F)c1C(F)F 238417676 573501572 /nfs/dbraw/zinc/50/15/72/573501572.db2.gz XETOTHVOTHGPCW-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN OC[C@@H]1CCCc2nc(C3CC3)cn21 258703197 573501649 /nfs/dbraw/zinc/50/16/49/573501649.db2.gz YJXJLOOIRLEIAK-VIFPVBQESA-N 0 0 192.262 1.630 10 0 ADAERN CO[C@@H](C)c1noc(NC2CC2)n1 86591091 573501667 /nfs/dbraw/zinc/50/16/67/573501667.db2.gz GPTGHUBVGSNIIY-YFKPBYRVSA-N 0 0 183.211 1.351 10 0 ADAERN Nc1nc(C2CC2)nc2c1CSC2 107321713 573501688 /nfs/dbraw/zinc/50/16/88/573501688.db2.gz IOJSCZBETLVLJS-UHFFFAOYSA-N 0 0 193.275 1.683 10 0 ADAERN CO[C@@]12CC(C)(C)[C@H](O)[C@@H](C=C1C)O2 238418584 573501700 /nfs/dbraw/zinc/50/17/00/573501700.db2.gz VRLXDPJYWBLGKU-FXPVBKGRSA-N 0 0 198.262 1.465 10 0 ADAERN CCOC(=O)[C@]1([NH3+])CCC[C@@H](C)CC1 83434209 573501718 /nfs/dbraw/zinc/50/17/18/573501718.db2.gz NSVSPZKTJXLRAW-KOLCDFICSA-N 0 0 199.294 1.847 10 0 ADAERN C[C@H]1C[C@]1(C)c1ncc[nH]c1=O 714703401 573501733 /nfs/dbraw/zinc/50/17/33/573501733.db2.gz ADFLZXCWZQNUPV-RCOVLWMOSA-N 0 0 164.208 1.067 10 0 ADAERN O=C1NC[C@H](C[C@@H]2CCCS2)O1 258706912 573501740 /nfs/dbraw/zinc/50/17/40/573501740.db2.gz YKKFUAOLJNCBEC-BQBZGAKWSA-N 0 0 187.264 1.381 10 0 ADAERN CC[C@]1(C)OC[C@H](CC(=O)OC)O1 258704531 573501747 /nfs/dbraw/zinc/50/17/47/573501747.db2.gz NKVMHJHNJOJIQH-IONNQARKSA-N 0 0 188.223 1.091 10 0 ADAERN C[C@@H]1C[C@]1(C)C[C@@H]1CCC(=O)N1 714704374 573501777 /nfs/dbraw/zinc/50/17/77/573501777.db2.gz CLQUEXWLZXIDEF-KHQFGBGNSA-N 0 0 167.252 1.701 10 0 ADAERN CO[C@H](C)c1nc2c(s1)C[NH2+]CC2 86591073 573501780 /nfs/dbraw/zinc/50/17/80/573501780.db2.gz GKEKTJIIYCYDHX-ZCFIWIBFSA-N 0 0 198.291 1.496 10 0 ADAERN O=C(OCCN1CC1)c1cccs1 308398879 573501784 /nfs/dbraw/zinc/50/17/84/573501784.db2.gz GYBGNMONWXWUNZ-UHFFFAOYSA-N 0 0 197.259 1.221 10 0 ADAERN CNC(=O)N(C)CCc1ccc(C)o1 258704418 573501797 /nfs/dbraw/zinc/50/17/97/573501797.db2.gz NTKPCJGPIWDFIB-UHFFFAOYSA-N 0 0 196.250 1.402 10 0 ADAERN COCc1cc2ccc(N)cc2n1C 258046868 573501800 /nfs/dbraw/zinc/50/18/00/573501800.db2.gz NZIGGVDLDLATJJ-UHFFFAOYSA-N 0 0 190.246 1.907 10 0 ADAERN COc1cncc([C@@H]2CC[C@H](O)C2)c1 124517758 573501801 /nfs/dbraw/zinc/50/18/01/573501801.db2.gz FRDJTFIJCYSZND-SCZZXKLOSA-N 0 0 193.246 1.719 10 0 ADAERN CCc1ccc(Cl)nc1N 83428474 573501812 /nfs/dbraw/zinc/50/18/12/573501812.db2.gz SFAAEPGNKXDVET-UHFFFAOYSA-N 0 0 156.616 1.880 10 0 ADAERN COc1cncc([C@H]2CC[C@@H](O)C2)c1 124518392 573501856 /nfs/dbraw/zinc/50/18/56/573501856.db2.gz FRDJTFIJCYSZND-WCBMZHEXSA-N 0 0 193.246 1.719 10 0 ADAERN CC[NH+]1CCC(/C=C\C(=O)[O-])CC1 258049237 573504254 /nfs/dbraw/zinc/50/42/54/573504254.db2.gz DBUPPRQJRGCLNV-ARJAWSKDSA-N 0 0 183.251 1.359 10 0 ADAERN C[C@H]1CCC[C@@]([NH3+])(C(=O)[O-])CC1 83428415 573501887 /nfs/dbraw/zinc/50/18/87/573501887.db2.gz JVLOUGHPLAJSNJ-CBAPKCEASA-N 0 0 171.240 1.369 10 0 ADAERN CNc1n[nH]c2c1CSCC2 107321983 573501888 /nfs/dbraw/zinc/50/18/88/573501888.db2.gz HFWQDCABAYQHDN-UHFFFAOYSA-N 0 0 169.253 1.241 10 0 ADAERN CCNc1nc([C@@H](C)OC)no1 86591081 573501896 /nfs/dbraw/zinc/50/18/96/573501896.db2.gz GCQBGSJAYGIFPF-RXMQYKEDSA-N 0 0 171.200 1.209 10 0 ADAERN C[C@@H]1CC(C)(C)C(=O)[C@H]1CCO 238418634 573501908 /nfs/dbraw/zinc/50/19/08/573501908.db2.gz BIQICPKSYPZUCL-SFYZADRCSA-N 0 0 170.252 1.620 10 0 ADAERN C=C/C(C)=C\C[C@H](C)O 238419362 573504255 /nfs/dbraw/zinc/50/42/55/573504255.db2.gz HWXDCUCWGGXERX-TVSKSKRASA-N 0 0 126.199 1.890 10 0 ADAERN CCC(=O)COC(=O)C(CC)CC 308398909 573501924 /nfs/dbraw/zinc/50/19/24/573501924.db2.gz GEHLSPCFRCVKEF-UHFFFAOYSA-N 0 0 186.251 1.945 10 0 ADAERN CC(C)CC[NH2+]C[C@H](C)CC(=O)[O-] 258705442 573501938 /nfs/dbraw/zinc/50/19/38/573501938.db2.gz RRYLEFDZZRZJPB-SECBINFHSA-N 0 0 187.283 1.733 10 0 ADAERN COC[C@@](C)(O)Cc1ccoc1 130264415 573501992 /nfs/dbraw/zinc/50/19/92/573501992.db2.gz BWNRKUIMOCKGQK-VIFPVBQESA-N 0 0 170.208 1.220 10 0 ADAERN C[C@@H]1CC(=S)NCCS1 238417725 573502013 /nfs/dbraw/zinc/50/20/13/573502013.db2.gz PTIKGFUHKNSTMB-RXMQYKEDSA-N 0 0 161.295 1.429 10 0 ADAERN CSc1c2c(nn1C)CCC2 107322517 573502014 /nfs/dbraw/zinc/50/20/14/573502014.db2.gz SFJGEMUIVGPSPQ-UHFFFAOYSA-N 0 0 168.265 1.631 10 0 ADAERN C[C@H](O)c1ccc2c(c1O)OCCO2 258047690 573502023 /nfs/dbraw/zinc/50/20/23/573502023.db2.gz KIALRNMNFXFSCG-LURJTMIESA-N 0 0 196.202 1.217 10 0 ADAERN CC(C)[C@H]1CCC[C@@](O)(C(N)=O)CC1 83438213 573504256 /nfs/dbraw/zinc/50/42/56/573504256.db2.gz ZVEGUEUHAMOOFB-ONGXEEELSA-N 0 0 199.294 1.439 10 0 ADAERN CO[C@@H]1[C@@H](CCO)[C@H]1c1ccccc1 308608802 573502056 /nfs/dbraw/zinc/50/20/56/573502056.db2.gz XOBKNDLRXFUBIQ-QJPTWQEYSA-N 0 0 192.258 1.797 10 0 ADAERN Cc1ccc(C)c([C@@H](C)C(N)=O)c1 238418412 573502058 /nfs/dbraw/zinc/50/20/58/573502058.db2.gz CONRDYOJWFZKCM-SECBINFHSA-N 0 0 177.247 1.892 10 0 ADAERN C[C@@H]1CC(C)(C)C(=O)[C@@H]1CCO 238418619 573502070 /nfs/dbraw/zinc/50/20/70/573502070.db2.gz BIQICPKSYPZUCL-HTQZYQBOSA-N 0 0 170.252 1.620 10 0 ADAERN C[C@@H]1CCC[C@@]2(CC1)[NH2+]CCNC2=O 83434693 573502085 /nfs/dbraw/zinc/50/20/85/573502085.db2.gz JHSIIIQKQVSSEW-KOLCDFICSA-N 0 0 196.294 1.045 10 0 ADAERN CO[C@H](C)c1nc([C@@H](C)[NH3+])cs1 86590410 573502107 /nfs/dbraw/zinc/50/21/07/573502107.db2.gz BBDUADKANADGSV-PHDIDXHHSA-N 0 0 186.280 1.870 10 0 ADAERN C[C@@H](CO)c1ccc(OCCO)cc1 258047753 573502111 /nfs/dbraw/zinc/50/21/11/573502111.db2.gz KJAZDJVNKKVZLB-VIFPVBQESA-N 0 0 196.246 1.154 10 0 ADAERN CC(C)c1nc(C=O)c2n1CCCN2 258705969 573502114 /nfs/dbraw/zinc/50/21/14/573502114.db2.gz NILNAVWOQCVGHC-UHFFFAOYSA-N 0 0 193.250 1.635 10 0 ADAERN C[C@@H]1[NH2+]Cc2[n-]n(C(C)(C)C)c(=O)c21 258044843 573502134 /nfs/dbraw/zinc/50/21/34/573502134.db2.gz JOTSUFAUCIUUTE-LURJTMIESA-N 0 0 195.266 1.508 10 0 ADAERN Cc1[nH]c(C(C)C)cc1CO 259110056 573502136 /nfs/dbraw/zinc/50/21/36/573502136.db2.gz HZKZMKVZGNWRAH-UHFFFAOYSA-N 0 0 153.225 1.939 10 0 ADAERN COC(=O)c1cnc2nc[nH]c2c1C 238418530 573502144 /nfs/dbraw/zinc/50/21/44/573502144.db2.gz QXJAODXMOIMDCQ-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN O=C1NC[C@H](C[C@H]2CCCS2)O1 258706913 573502145 /nfs/dbraw/zinc/50/21/45/573502145.db2.gz YKKFUAOLJNCBEC-NKWVEPMBSA-N 0 0 187.264 1.381 10 0 ADAERN Cn1c([C@@H]2CCOC2)cnc1Cl 258697714 573502153 /nfs/dbraw/zinc/50/21/53/573502153.db2.gz ZMYGJPLGOROCKX-ZCFIWIBFSA-N 0 0 186.642 1.577 10 0 ADAERN Cc1ccc(O)c2[nH]cc(C=O)c12 257822075 573502156 /nfs/dbraw/zinc/50/21/56/573502156.db2.gz GBZRAFRHHGOKTQ-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN CNc1nc(-c2ccncc2)co1 258703445 573502162 /nfs/dbraw/zinc/50/21/62/573502162.db2.gz YCQFIKJDDCHEEJ-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN C[C@@H]1O[C@@H]1/C=C/Br 238419248 573504655 /nfs/dbraw/zinc/50/46/55/573504655.db2.gz ONEFUUSVGLGVDR-CSCGYKLNSA-N 0 0 163.014 1.682 10 0 ADAERN C[C@@H]1CC(=O)c2ncc([O-])cc21 238417628 573502198 /nfs/dbraw/zinc/50/21/98/573502198.db2.gz IOIFPUKKVXKRJV-RXMQYKEDSA-N 0 0 163.176 1.477 10 0 ADAERN C[C@H](O)C[C@H]1CCC(C)(C)C[C@H]1O 717459347 573502212 /nfs/dbraw/zinc/50/22/12/573502212.db2.gz ZXEDRFPHWQOYSW-IVZWLZJFSA-N 0 0 186.295 1.945 10 0 ADAERN CO[C@@H](C)c1noc(NC(C)C)n1 86591089 573502226 /nfs/dbraw/zinc/50/22/26/573502226.db2.gz NTBJLQWSVHLAHU-LURJTMIESA-N 0 0 185.227 1.597 10 0 ADAERN COC(=O)[C@@]1([NH3+])CCC[C@H](C)CC1 83434204 573502238 /nfs/dbraw/zinc/50/22/38/573502238.db2.gz CFRKSXAMHPDQTG-WCBMZHEXSA-N 0 0 185.267 1.457 10 0 ADAERN CO[C@@H](C)c1ncc(C[NH3+])s1 86590333 573502240 /nfs/dbraw/zinc/50/22/40/573502240.db2.gz VCEMYXIZAQLRLV-YFKPBYRVSA-N 0 0 172.253 1.309 10 0 ADAERN C[C@H]1C=CC=C(c2ccccn2)N1 238418103 573502250 /nfs/dbraw/zinc/50/22/50/573502250.db2.gz MHEFSTWTTHRBDH-VIFPVBQESA-N 0 0 172.231 1.970 10 0 ADAERN CCCNc1nc([C@@H](C)OC)no1 86591084 573502270 /nfs/dbraw/zinc/50/22/70/573502270.db2.gz YUBNWODDTNOWOK-ZCFIWIBFSA-N 0 0 185.227 1.599 10 0 ADAERN CCNc1nc([C@H](C)OC)no1 86591082 573502289 /nfs/dbraw/zinc/50/22/89/573502289.db2.gz GCQBGSJAYGIFPF-YFKPBYRVSA-N 0 0 171.200 1.209 10 0 ADAERN CCc1ccnc(CC(C)(C)O)c1 259110130 573502325 /nfs/dbraw/zinc/50/23/25/573502325.db2.gz FFSHOQHIJCJSNO-UHFFFAOYSA-N 0 0 179.263 1.957 10 0 ADAERN CCc1ncc(CN(C)C(C)=O)s1 308398136 573502338 /nfs/dbraw/zinc/50/23/38/573502338.db2.gz FQGDBCWNJFNHFY-UHFFFAOYSA-N 0 0 198.291 1.684 10 0 ADAERN CCOC(=O)[C@@]1([NH3+])CCC[C@@H](C)CC1 83434210 573502343 /nfs/dbraw/zinc/50/23/43/573502343.db2.gz NSVSPZKTJXLRAW-MWLCHTKSSA-N 0 0 199.294 1.847 10 0 ADAERN COC[C@](C)(O)Cc1ccco1 130264634 573502355 /nfs/dbraw/zinc/50/23/55/573502355.db2.gz AJDQWPMLPJUUGE-SECBINFHSA-N 0 0 170.208 1.220 10 0 ADAERN C[C@@H]1CCC[C@]2(CC1)[NH2+]CCNC2=O 83434691 573502357 /nfs/dbraw/zinc/50/23/57/573502357.db2.gz JHSIIIQKQVSSEW-MWLCHTKSSA-N 0 0 196.294 1.045 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]([NH3+])c1ccccn1 259481092 573502364 /nfs/dbraw/zinc/50/23/64/573502364.db2.gz SJJACXCGNZJMFL-OIBJUYFYSA-N 0 0 194.234 1.192 10 0 ADAERN CO[C@H](C)c1nc([C@H](C)[NH3+])cs1 86590408 573502368 /nfs/dbraw/zinc/50/23/68/573502368.db2.gz BBDUADKANADGSV-NTSWFWBYSA-N 0 0 186.280 1.870 10 0 ADAERN C[C@@H]1O[C@@H]1C(=O)NCc1ccccc1 238418303 573502375 /nfs/dbraw/zinc/50/23/75/573502375.db2.gz PJRUXTVTDQGGPC-WPRPVWTQSA-N 0 0 191.230 1.090 10 0 ADAERN CO[C@@H](C)c1nc(N)cc(C(C)C)n1 86590676 573502391 /nfs/dbraw/zinc/50/23/91/573502391.db2.gz BODIBAVKTOFHPC-ZETCQYMHSA-N 0 0 195.266 1.890 10 0 ADAERN CCOC(=O)[C@]1([NH3+])CCC[C@H](C)CC1 83434207 573502393 /nfs/dbraw/zinc/50/23/93/573502393.db2.gz NSVSPZKTJXLRAW-ONGXEEELSA-N 0 0 199.294 1.847 10 0 ADAERN C[C@H]1CCC[C@]2(CC1)[NH2+]CCNC2=O 83434692 573502412 /nfs/dbraw/zinc/50/24/12/573502412.db2.gz JHSIIIQKQVSSEW-GXSJLCMTSA-N 0 0 196.294 1.045 10 0 ADAERN CO[C@]12CC=C[C@H]1[C@@H](C)C2=O 238418690 573502415 /nfs/dbraw/zinc/50/24/15/573502415.db2.gz ICGZFFUJDVVSML-BKPPORCPSA-N 0 0 152.193 1.167 10 0 ADAERN COc1ncc(N)c(C(F)F)c1F 238417345 573502451 /nfs/dbraw/zinc/50/24/51/573502451.db2.gz GKTKKHZWTUHLMU-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN C[C@@H]1NC(=O)c2cc3c(cc21)OCO3 238417468 573502467 /nfs/dbraw/zinc/50/24/67/573502467.db2.gz CYEYOWHFKGHIMZ-YFKPBYRVSA-N 0 0 191.186 1.220 10 0 ADAERN CNc1nc(C)nc2c1CSC2 107321535 573502652 /nfs/dbraw/zinc/50/26/52/573502652.db2.gz ATYFRBVIVBOSNL-UHFFFAOYSA-N 0 0 181.264 1.574 10 0 ADAERN CO[C@H](C)c1nc(C)c(F)c(N)n1 86590805 573502474 /nfs/dbraw/zinc/50/24/74/573502474.db2.gz LWYLELZXYOGRFY-RXMQYKEDSA-N 0 0 185.202 1.214 10 0 ADAERN Nc1ncn2cccc(Cl)c12 107318125 573502489 /nfs/dbraw/zinc/50/24/89/573502489.db2.gz NOOOQXORXHSPCS-UHFFFAOYSA-N 0 0 167.599 1.570 10 0 ADAERN CO[C@H](C)c1nc(N)cc(C(C)C)n1 86590675 573502499 /nfs/dbraw/zinc/50/24/99/573502499.db2.gz BODIBAVKTOFHPC-SSDOTTSWSA-N 0 0 195.266 1.890 10 0 ADAERN OCc1ncc(C2CCC2)o1 259110127 573502501 /nfs/dbraw/zinc/50/25/01/573502501.db2.gz FFQWVEYTYQVPPI-UHFFFAOYSA-N 0 0 153.181 1.434 10 0 ADAERN CO[C@H](C)c1ncc([C@@H](C)O)s1 86590598 573502516 /nfs/dbraw/zinc/50/25/16/573502516.db2.gz OTLRBBUKVLQSIL-PHDIDXHHSA-N 0 0 187.264 1.904 10 0 ADAERN CO[C@@H](C)c1nc(N)cc(C2CC2)n1 86590787 573502522 /nfs/dbraw/zinc/50/25/22/573502522.db2.gz JJRAEVGWJBWDIC-LURJTMIESA-N 0 0 193.250 1.644 10 0 ADAERN C[C@H](O)C[C@@H]1CCC(C)(C)C[C@H]1O 717459350 573502525 /nfs/dbraw/zinc/50/25/25/573502525.db2.gz ZXEDRFPHWQOYSW-LPEHRKFASA-N 0 0 186.295 1.945 10 0 ADAERN C[C@@H]1NC(=O)c2ccc(Cl)cc2N1 238417303 573502532 /nfs/dbraw/zinc/50/25/32/573502532.db2.gz GVYKUXWSGNYMOT-YFKPBYRVSA-N 0 0 196.637 1.841 10 0 ADAERN O=Cc1onc2c1CCSC2 107322226 573502533 /nfs/dbraw/zinc/50/25/33/573502533.db2.gz MZRDYXCMLBREEB-UHFFFAOYSA-N 0 0 169.205 1.276 10 0 ADAERN CCNc1cc(C)nc([C@H](C)OC)n1 86590705 573502544 /nfs/dbraw/zinc/50/25/44/573502544.db2.gz UNAHEPDBHDGPSJ-QMMMGPOBSA-N 0 0 195.266 1.924 10 0 ADAERN CN1CC[C@@H](c2cccnc2)C(=O)C1 258698957 573502551 /nfs/dbraw/zinc/50/25/51/573502551.db2.gz XSGAVADNIUPGOD-JTQLQIEISA-N 0 0 190.246 1.070 10 0 ADAERN CO[C@@H](C)c1nc(C)c(F)c(N)n1 86590807 573502560 /nfs/dbraw/zinc/50/25/60/573502560.db2.gz LWYLELZXYOGRFY-YFKPBYRVSA-N 0 0 185.202 1.214 10 0 ADAERN CC(C)(C)[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 258759409 573502578 /nfs/dbraw/zinc/50/25/78/573502578.db2.gz XQZNOCXYHZUUSY-NKWVEPMBSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@H]([NH3+])CCc1ccc(F)cc1O 238418439 573502582 /nfs/dbraw/zinc/50/25/82/573502582.db2.gz MRHGYNMRXIGUBZ-ZETCQYMHSA-N 0 0 183.226 1.811 10 0 ADAERN CC(C)(C)[NH2+]C[C@H]1C[C@@H]1C(=O)[O-] 258759417 573502586 /nfs/dbraw/zinc/50/25/86/573502586.db2.gz XQZNOCXYHZUUSY-RQJHMYQMSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@]12CC(=O)C[C@@]1(C)C2 238417344 573502614 /nfs/dbraw/zinc/50/26/14/573502614.db2.gz INJKABVLHYDAPH-OCAPTIKFSA-N 0 0 124.183 1.766 10 0 ADAERN COc1[nH]cc(N)c(=O)c1C(F)F 238417801 573502626 /nfs/dbraw/zinc/50/26/26/573502626.db2.gz RRFSSQAIEAUEIO-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CCC[C@H]1CC[NH2+][C@@](C)(C(=O)[O-])C1 258499872 573502628 /nfs/dbraw/zinc/50/26/28/573502628.db2.gz JZGXLPWTXQHREK-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)[C@@H](C[NH2+]C(C)(C)C)C(=O)[O-] 258701752 573502632 /nfs/dbraw/zinc/50/26/32/573502632.db2.gz RLMAQMLQQWKSCU-MRVPVSSYSA-N 0 0 187.283 1.731 10 0 ADAERN C[C@H](O)c1coc(C[C@@H]2CCOC2)n1 258049012 573504657 /nfs/dbraw/zinc/50/46/57/573504657.db2.gz KVNJFIKKHLJDDE-YUMQZZPRSA-N 0 0 197.234 1.307 10 0 ADAERN CO[C@@H](C)c1nc(N)nc(C2CC2)n1 86591911 573504694 /nfs/dbraw/zinc/50/46/94/573504694.db2.gz MFONLZZMOJPRPK-YFKPBYRVSA-N 0 0 194.238 1.039 10 0 ADAERN COc1ccc2c(CON)coc2c1 258048872 573504705 /nfs/dbraw/zinc/50/47/05/573504705.db2.gz FNSSVKLXUAXGDT-UHFFFAOYSA-N 0 0 193.202 1.832 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C2CCC2)C1 214905520 573504712 /nfs/dbraw/zinc/50/47/12/573504712.db2.gz VHQPAIFLFREBMG-UWVGGRQHSA-N 0 0 197.278 1.439 10 0 ADAERN CCC[C@H]1[C@@H](C(=O)[O-])C2CC[NH+]1CC2 258050518 573504715 /nfs/dbraw/zinc/50/47/15/573504715.db2.gz JZCOMPBVQZJXCX-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)(C)Cc1nc(CCO)no1 258049338 573503700 /nfs/dbraw/zinc/50/37/00/573503700.db2.gz OYXQOGUSECMHIX-UHFFFAOYSA-N 0 0 184.239 1.193 10 0 ADAERN COc1ncc(O)c(C(F)F)c1N 238419282 573503706 /nfs/dbraw/zinc/50/37/06/573503706.db2.gz DWYVASKSXTWCOO-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CC[C@@H](CO)C(=O)NCC(C)(C)C 258710274 573503708 /nfs/dbraw/zinc/50/37/08/573503708.db2.gz HBLDGHYTGYUMDW-QMMMGPOBSA-N 0 0 187.283 1.167 10 0 ADAERN Cc1cccc(NCNN)c1C 258711422 573503716 /nfs/dbraw/zinc/50/37/16/573503716.db2.gz SMYBUBIDIAXYDB-UHFFFAOYSA-N 0 0 165.240 1.136 10 0 ADAERN Cc1cccc(C)c1NCNN 258713403 573503730 /nfs/dbraw/zinc/50/37/30/573503730.db2.gz SQWAWMZYDSXRPQ-UHFFFAOYSA-N 0 0 165.240 1.136 10 0 ADAERN C[C@H](CCCO)C1CC1 238419784 573503733 /nfs/dbraw/zinc/50/37/33/573503733.db2.gz GRASOPUDEZBZIY-SSDOTTSWSA-N 0 0 128.215 1.805 10 0 ADAERN Cc1cc(C[C@H](C)O)cc(O)c1F 258050364 573503759 /nfs/dbraw/zinc/50/37/59/573503759.db2.gz KNROXPUUCLYESG-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN CNc1c2c(cc3c1OCC3)OCC2 259478736 573503794 /nfs/dbraw/zinc/50/37/94/573503794.db2.gz OOHCHZWWRVAQRI-UHFFFAOYSA-N 0 0 191.230 1.598 10 0 ADAERN NOCc1ccc2c(c1)COC2 258048170 573503825 /nfs/dbraw/zinc/50/38/25/573503825.db2.gz QWGHXOMRLWQIPA-UHFFFAOYSA-N 0 0 165.192 1.107 10 0 ADAERN NOCc1ccc(C2COC2)cc1 258050403 573503840 /nfs/dbraw/zinc/50/38/40/573503840.db2.gz RENSBDLGGACMHY-UHFFFAOYSA-N 0 0 179.219 1.191 10 0 ADAERN CC(=O)[C@@H](C)C1=NC(C)(C)CO1 238419259 573503878 /nfs/dbraw/zinc/50/38/78/573503878.db2.gz FLXCYOQIVZDJGI-ZCFIWIBFSA-N 0 0 169.224 1.419 10 0 ADAERN CC(=O)[C@@H]1C(=O)NC(C)(C)C[C@H]1C 238420102 573503885 /nfs/dbraw/zinc/50/38/85/573503885.db2.gz FDSVAYSJKMJGNZ-HTRCEHHLSA-N 0 0 183.251 1.126 10 0 ADAERN COc1ncc(O)c(N)c1C(F)F 238419702 573503890 /nfs/dbraw/zinc/50/38/90/573503890.db2.gz OLRSVCRQKMWADL-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN c1cc(-c2cc[nH]c2)on1 259110321 573503891 /nfs/dbraw/zinc/50/38/91/573503891.db2.gz FXFXYECCVLYVRJ-UHFFFAOYSA-N 0 0 134.138 1.670 10 0 ADAERN Nc1cccn2cnc(Cl)c12 107317850 573503898 /nfs/dbraw/zinc/50/38/98/573503898.db2.gz PTKMLTGJWOWRHZ-UHFFFAOYSA-N 0 0 167.599 1.570 10 0 ADAERN FCCNCc1cncn1C1CC1 393585609 573503919 /nfs/dbraw/zinc/50/39/19/573503919.db2.gz REGDZRQVUCQPRY-UHFFFAOYSA-N 0 0 183.230 1.277 10 0 ADAERN OC[C@@H]1CCc2c(O)cccc21 258501079 573503943 /nfs/dbraw/zinc/50/39/43/573503943.db2.gz KWYUHASAGBHXIL-ZETCQYMHSA-N 0 0 164.204 1.414 10 0 ADAERN C[C@@H]1O[C@@H]1[C@@H](O)C(C)(C)C 238419076 573504733 /nfs/dbraw/zinc/50/47/33/573504733.db2.gz GPFFWJGPIBWMKU-LYFYHCNISA-N 0 0 144.214 1.181 10 0 ADAERN Nc1nc(=S)[nH]c2c1CCCC2 107321886 573503970 /nfs/dbraw/zinc/50/39/70/573503970.db2.gz KQBVCGHNNUTBAG-UHFFFAOYSA-N 0 0 181.264 1.226 10 0 ADAERN Cc1ccc(S(=O)(=O)C=O)cc1C 259108757 573503997 /nfs/dbraw/zinc/50/39/97/573503997.db2.gz AOBKBDOGIZFVOY-UHFFFAOYSA-N 0 0 198.243 1.267 10 0 ADAERN Oc1cccc(O[C@H]2CC[C@@H](O)C2)c1 259478866 573504001 /nfs/dbraw/zinc/50/40/01/573504001.db2.gz HSODNORAYRSSMT-KOLCDFICSA-N 0 0 194.230 1.684 10 0 ADAERN O=CNCCC1CCCC1 78510272 573504005 /nfs/dbraw/zinc/50/40/05/573504005.db2.gz RWUOLCLIBAWTTK-UHFFFAOYSA-N 0 0 141.214 1.313 10 0 ADAERN Cn1cc(-c2ccccc2)c(CO)n1 257822257 573504772 /nfs/dbraw/zinc/50/47/72/573504772.db2.gz FFSOXIGLJJMYQJ-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN Cn1ccc(C[C@H]2CCC[C@H](O)C2)n1 124524483 573504773 /nfs/dbraw/zinc/50/47/73/573504773.db2.gz AXXJYBPRIXOFJT-KOLCDFICSA-N 0 0 194.278 1.514 10 0 ADAERN C[C@H]1COCC[N@@H+]1[C@@H]1CCCC(=O)C1 86600019 573504061 /nfs/dbraw/zinc/50/40/61/573504061.db2.gz FCUCDWOPPIFXAP-VHSXEESVSA-N 0 0 197.278 1.219 10 0 ADAERN CN(C)c1ccc(F)cc1CCON 258049682 573504070 /nfs/dbraw/zinc/50/40/70/573504070.db2.gz GQVYJPXWPBADAI-UHFFFAOYSA-N 0 0 198.241 1.325 10 0 ADAERN CC(C)Cc1cn2c(n1)CCC[C@H]2O 258717726 573504098 /nfs/dbraw/zinc/50/40/98/573504098.db2.gz YVBNHDUZWPPCIU-LLVKDONJSA-N 0 0 194.278 1.909 10 0 ADAERN CC1(C)CCC[C@@](O)(C(N)=O)CC1 83436715 573504143 /nfs/dbraw/zinc/50/41/43/573504143.db2.gz KWWQLYJBTVYDTE-JTQLQIEISA-N 0 0 185.267 1.193 10 0 ADAERN OC[C@@H](c1cccs1)C1COC1 258715597 573504741 /nfs/dbraw/zinc/50/47/41/573504741.db2.gz ZDOWUADTCGOVAY-MRVPVSSYSA-N 0 0 184.260 1.470 10 0 ADAERN Cc1cccc([C@@H](C)C(N)=S)n1 238419074 573504742 /nfs/dbraw/zinc/50/47/42/573504742.db2.gz KZKASEDVLCBQBU-SSDOTTSWSA-N 0 0 180.276 1.780 10 0 ADAERN CC(C)(O)c1ccc2c(c1O)OCO2 258050539 573504186 /nfs/dbraw/zinc/50/41/86/573504186.db2.gz KRACIIWWBSMDBW-UHFFFAOYSA-N 0 0 196.202 1.348 10 0 ADAERN C[C@@H](O)C(=O)n1ccc2ccccc21 238420039 573504205 /nfs/dbraw/zinc/50/42/05/573504205.db2.gz CBCICWVDFOKKDL-MRVPVSSYSA-N 0 0 189.214 1.662 10 0 ADAERN CO[C@@H](C)c1ncc([C@H](C)O)c(C)n1 86591244 573504212 /nfs/dbraw/zinc/50/42/12/573504212.db2.gz IHFNZPLCAPNWIM-YUMQZZPRSA-N 0 0 196.250 1.546 10 0 ADAERN CC(C(N)=S)=C(N)c1ccccc1 238418942 573504225 /nfs/dbraw/zinc/50/42/25/573504225.db2.gz PCLPAQBFOQGRNJ-SSDOTTSWSA-N 0 0 192.287 1.977 10 0 ADAERN CC(=O)[C@@H](C)[C@@]1(C)CCCC1=O 238419301 573504241 /nfs/dbraw/zinc/50/42/41/573504241.db2.gz DCPRYRMGTAFKMR-GMSGAONNSA-N 0 0 168.236 1.971 10 0 ADAERN CSc1onc2c1CN(C)CC2 107322431 573504248 /nfs/dbraw/zinc/50/42/48/573504248.db2.gz ISQQVVVQSXPJBV-UHFFFAOYSA-N 0 0 184.264 1.384 10 0 ADAERN O=Cc1noc2c1CSC2 107322298 573504283 /nfs/dbraw/zinc/50/42/83/573504283.db2.gz FZHXJDUXKQYAFC-UHFFFAOYSA-N 0 0 155.178 1.234 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]([NH3+])c1ccccn1 259481093 573504315 /nfs/dbraw/zinc/50/43/15/573504315.db2.gz SJJACXCGNZJMFL-XCBNKYQSSA-N 0 0 194.234 1.192 10 0 ADAERN c1coc(-c2ncc3n2CCCN3)c1 258709484 573504324 /nfs/dbraw/zinc/50/43/24/573504324.db2.gz NNCDCKYJDJOJKY-UHFFFAOYSA-N 0 0 189.218 1.959 10 0 ADAERN CNc1c(-c2ccncc2)n[nH]c1C 259109980 573504389 /nfs/dbraw/zinc/50/43/89/573504389.db2.gz HWBNELOBQPBJFY-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN CCC[C@H]1[C@H](C(=O)[O-])C2CC[NH+]1CC2 258050522 573504399 /nfs/dbraw/zinc/50/43/99/573504399.db2.gz JZCOMPBVQZJXCX-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN CC(=O)C(C)(C)/C=C/[C@H]1O[C@H]1C 238419286 573504422 /nfs/dbraw/zinc/50/44/22/573504422.db2.gz KCXVXWAVEMETPG-LHFUQYOZSA-N 0 0 168.236 1.945 10 0 ADAERN C[C@@H]1O[C@@]1(CO)C(C)(C)C 238420189 573504438 /nfs/dbraw/zinc/50/44/38/573504438.db2.gz VNDGLBVFBBIJQH-POYBYMJQSA-N 0 0 144.214 1.182 10 0 ADAERN C[C@@H](O)Cc1cc(O)c(F)cc1O 258050297 573504759 /nfs/dbraw/zinc/50/47/59/573504759.db2.gz KMXVMVWGXZBWCC-RXMQYKEDSA-N 0 0 186.182 1.160 10 0 ADAERN C[C@H](O)/C(Cl)=C(\Cl)[C@H](C)O 238419265 573504440 /nfs/dbraw/zinc/50/44/40/573504440.db2.gz LXDWEIQMGCRTMZ-CKRYCGLASA-N 0 0 185.050 1.437 10 0 ADAERN C[C@@H]1O[C@@H]1C[C@@H](O)c1ccccc1 238418934 573504445 /nfs/dbraw/zinc/50/44/45/573504445.db2.gz JYESLHAVZNALMU-JMJZKYOTSA-N 0 0 178.231 1.897 10 0 ADAERN Cc1ccc([C@@H](CO)C2COC2)cc1 258710860 573504450 /nfs/dbraw/zinc/50/44/50/573504450.db2.gz YURIXLLKXDRJPY-GFCCVEGCSA-N 0 0 192.258 1.717 10 0 ADAERN Cc1cc(CCON)ccc1O 258048373 573504472 /nfs/dbraw/zinc/50/44/72/573504472.db2.gz QZLVVFGOBQNMJJ-UHFFFAOYSA-N 0 0 167.208 1.133 10 0 ADAERN O=C([O-])C1([NH+]2CCC2)CCCCCC1 214905617 573504482 /nfs/dbraw/zinc/50/44/82/573504482.db2.gz ZMPKDZHXMOVQOZ-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN C[C@H](O)Cc1coc([C@@H]2CCOC2)n1 258048799 573504492 /nfs/dbraw/zinc/50/44/92/573504492.db2.gz KSYZDTOEYVQYML-JGVFFNPUSA-N 0 0 197.234 1.102 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]1(O)CO 235610541 573504510 /nfs/dbraw/zinc/50/45/10/573504510.db2.gz BNMLIXOCHVRPQU-CBAPKCEASA-N 0 0 158.241 1.166 10 0 ADAERN CN(CC(C)(C)C)C(=O)C1COC1 308400077 573504520 /nfs/dbraw/zinc/50/45/20/573504520.db2.gz GPIGRFFCURCIBU-UHFFFAOYSA-N 0 0 185.267 1.137 10 0 ADAERN CSc1ccc(OC(C)=O)cc1N 238420047 573504557 /nfs/dbraw/zinc/50/45/57/573504557.db2.gz QUVDNXBDZCZZNG-UHFFFAOYSA-N 0 0 197.259 1.916 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]CC[C@@H]1CC1CCC1 214906151 573504629 /nfs/dbraw/zinc/50/46/29/573504629.db2.gz OMPLEKXYQCDJLE-ZJUUUORDSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@@H]1CCC[C@H](O)C[C@@H](CO)C1 238419693 573504638 /nfs/dbraw/zinc/50/46/38/573504638.db2.gz BRHLVPQEYHLCII-UTLUCORTSA-N 0 0 172.268 1.556 10 0 ADAERN CC[C@@H](CO)C1(c2ccc[nH]2)COC1 259110390 573504646 /nfs/dbraw/zinc/50/46/46/573504646.db2.gz FZMCWSPINROPMU-VIFPVBQESA-N 0 0 195.262 1.301 10 0 ADAERN C[C@@H]1O[C@@H]1[C@@H](O)C1CCCCC1 238419112 573504664 /nfs/dbraw/zinc/50/46/64/573504664.db2.gz UHNSGEXOTHKKDD-HGNGGELXSA-N 0 0 170.252 1.715 10 0 ADAERN CCC[C@@H]1CCC[C@@](O)(C(N)=O)CC1 83438208 573505792 /nfs/dbraw/zinc/50/57/92/573505792.db2.gz RQLBZDIKGJEKAE-KOLCDFICSA-N 0 0 199.294 1.583 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C2CCC2)C1 214905570 573505919 /nfs/dbraw/zinc/50/59/19/573505919.db2.gz VHQPAIFLFREBMG-ZJUUUORDSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)Cc1cn2c(n1)CCC[C@@H]2O 258717730 573505922 /nfs/dbraw/zinc/50/59/22/573505922.db2.gz YVBNHDUZWPPCIU-NSHDSACASA-N 0 0 194.278 1.909 10 0 ADAERN O=C(Cc1ccc[nH]1)NCC1CC1 308399582 573505934 /nfs/dbraw/zinc/50/59/34/573505934.db2.gz HNOMJESYKGGTFO-UHFFFAOYSA-N 0 0 178.235 1.083 10 0 ADAERN COC(=O)[C@@H]1C[C@H](C)C[C@@H](C)O1 213263982 573505693 /nfs/dbraw/zinc/50/56/93/573505693.db2.gz TYVQXRZUNSZOKB-PRJMDXOYSA-N 0 0 172.224 1.363 10 0 ADAERN C[C@@H]1CC(C)(C)N=C([C@@H](C)O)O1 238419916 573505694 /nfs/dbraw/zinc/50/56/94/573505694.db2.gz WEQNCRXUGNONBQ-RNFRBKRXSA-N 0 0 171.240 1.353 10 0 ADAERN NOCc1cc(F)c(F)cc1F 258050433 573505715 /nfs/dbraw/zinc/50/57/15/573505715.db2.gz RETUMVVGCDUCSL-UHFFFAOYSA-N 0 0 177.125 1.494 10 0 ADAERN CO[C@]12CC[C@@H]1CCC2=O 238420025 573505944 /nfs/dbraw/zinc/50/59/44/573505944.db2.gz URMVYIMQHWEJJA-POYBYMJQSA-N 0 0 140.182 1.145 10 0 ADAERN Oc1ccc(CC2(O)CC2)c(O)c1F 258047859 573505720 /nfs/dbraw/zinc/50/57/20/573505720.db2.gz KKUOIFFXNFVHIR-UHFFFAOYSA-N 0 0 198.193 1.304 10 0 ADAERN CCCCc1nc(N)oc1C 258718169 573505723 /nfs/dbraw/zinc/50/57/23/573505723.db2.gz ZJLMCGHUHZEFEX-UHFFFAOYSA-N 0 0 154.213 1.908 10 0 ADAERN CC1(C)CCC[C@@]([NH3+])(C(=O)[O-])CC1 83436187 573505725 /nfs/dbraw/zinc/50/57/25/573505725.db2.gz IZSKTASUMQCCMI-JTQLQIEISA-N 0 0 185.267 1.759 10 0 ADAERN Cc1cc(C)c(O)c(CCON)c1 258048195 573505741 /nfs/dbraw/zinc/50/57/41/573505741.db2.gz QWYIAFOSLNMROQ-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN CCC[NH2+]C[C@@H](CC)C(=O)[O-] 258711486 573505750 /nfs/dbraw/zinc/50/57/50/573505750.db2.gz SNKUUCFQROECOF-SSDOTTSWSA-N 0 0 159.229 1.097 10 0 ADAERN C[C@@H]1CC(C)(C)N(C)C(=O)N1 238419767 573505763 /nfs/dbraw/zinc/50/57/63/573505763.db2.gz RCTNDRJQOHXZFU-ZCFIWIBFSA-N 0 0 156.229 1.199 10 0 ADAERN CCNC(=O)CSCC=C1CCC1 308400042 573505782 /nfs/dbraw/zinc/50/57/82/573505782.db2.gz GONMDAMUOMAJER-UHFFFAOYSA-N 0 0 199.319 1.966 10 0 ADAERN CCc1ccc(F)c([C@@H]([NH3+])C(=O)[O-])c1 258050416 573505804 /nfs/dbraw/zinc/50/58/04/573505804.db2.gz KOKDUWMVLKLGBE-SECBINFHSA-N 0 0 197.209 1.473 10 0 ADAERN CC(=O)NC[C@@H](C)Nc1ccccc1 238420044 573505814 /nfs/dbraw/zinc/50/58/14/573505814.db2.gz XKNLHLWPRYUBPX-SECBINFHSA-N 0 0 192.262 1.623 10 0 ADAERN O=C1CCN([C@H]2CCCC(=O)C2)CC1 86600739 573505820 /nfs/dbraw/zinc/50/58/20/573505820.db2.gz WUNPVHPGRHFVBG-VIFPVBQESA-N 0 0 195.262 1.163 10 0 ADAERN CC(C)Cc1nc(C[C@@H](C)O)no1 258049308 573505829 /nfs/dbraw/zinc/50/58/29/573505829.db2.gz OYSFEBCOEGSSDD-SSDOTTSWSA-N 0 0 184.239 1.191 10 0 ADAERN C[C@]1(c2ccco2)NCCO1 258713720 573505833 /nfs/dbraw/zinc/50/58/33/573505833.db2.gz VCKJCALIZKDVDB-QMMMGPOBSA-N 0 0 153.181 1.072 10 0 ADAERN C[C@@H](O)c1coc(C[C@@H]2CCOC2)n1 258049010 573505837 /nfs/dbraw/zinc/50/58/37/573505837.db2.gz KVNJFIKKHLJDDE-SFYZADRCSA-N 0 0 197.234 1.307 10 0 ADAERN C[C@@H]1CC(C)(C)NC(=S)N1 238420128 573505842 /nfs/dbraw/zinc/50/58/42/573505842.db2.gz QZLLOIUSXGPSCR-RXMQYKEDSA-N 0 0 158.270 1.021 10 0 ADAERN COc1cc([C@H](C)O)c(C=O)cc1O 258050513 573505843 /nfs/dbraw/zinc/50/58/43/573505843.db2.gz KQTIFSRWWOKZHZ-LURJTMIESA-N 0 0 196.202 1.267 10 0 ADAERN C/C(=C\Cl)[C@H](C)O 238419150 573505849 /nfs/dbraw/zinc/50/58/49/573505849.db2.gz MAEOSULHNZJFKV-BHYDHMSTSA-N 0 0 120.579 1.510 10 0 ADAERN CNC(NC)c1ccc(C)c(C)c1 259480169 573505854 /nfs/dbraw/zinc/50/58/54/573505854.db2.gz QQKIYQWETUOOIW-UHFFFAOYSA-N 0 0 178.279 1.741 10 0 ADAERN CCC(CC)N[C@@H]1C[C@H](C)OC1=O 308396154 573505862 /nfs/dbraw/zinc/50/58/62/573505862.db2.gz DGSVTNJJFHGVIC-IONNQARKSA-N 0 0 185.267 1.469 10 0 ADAERN CCO[C@H](C)CNC(=O)[C@@H](C)CC 308400387 573506327 /nfs/dbraw/zinc/50/63/27/573506327.db2.gz GTWJJHAVDCXXKH-DTWKUNHWSA-N 0 0 187.283 1.574 10 0 ADAERN C[C@H](O)/C(F)=C/F 238419309 573506328 /nfs/dbraw/zinc/50/63/28/573506328.db2.gz JYPKLJGXCXNMOS-MFLXPROGSA-N 0 0 108.087 1.148 10 0 ADAERN C[C@@H]1O[C@@](C)(O)c2cnccc21 238419710 573506344 /nfs/dbraw/zinc/50/63/44/573506344.db2.gz OWVCGXHZPVPOBC-IMTBSYHQSA-N 0 0 165.192 1.338 10 0 ADAERN CC(=O)[C@@]1([Si](C)(C)C)O[C@H]1C 238419790 573506291 /nfs/dbraw/zinc/50/62/91/573506291.db2.gz RZQJCGOXPIYBJY-YUMQZZPRSA-N 0 0 172.300 1.610 10 0 ADAERN CCCOCC(=O)O[C@@H](C)C1CC1 308396201 573506295 /nfs/dbraw/zinc/50/62/95/573506295.db2.gz DJBJFEUCJDYNFE-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CCC/C=C/CONC 258710904 573507743 /nfs/dbraw/zinc/50/77/43/573507743.db2.gz YVXYCZVNLRACGD-AATRIKPKSA-N 0 0 129.203 1.494 10 0 ADAERN C[C@H]1C=C(CC(N)=O)C[C@H](C)C1 238418830 573506353 /nfs/dbraw/zinc/50/63/53/573506353.db2.gz QZMFAQSRYPKABI-HTQZYQBOSA-N 0 0 167.252 1.854 10 0 ADAERN COCCC(=O)N[C@@H](C)C(C)(C)C 308400055 573506354 /nfs/dbraw/zinc/50/63/54/573506354.db2.gz GOSSFQNQYVRWDY-QMMMGPOBSA-N 0 0 187.283 1.574 10 0 ADAERN CO[C@]12CCC(=O)[C@](C)(CO1)C2 238418813 573506367 /nfs/dbraw/zinc/50/63/67/573506367.db2.gz RGXAXCSHNDMDLA-DTWKUNHWSA-N 0 0 170.208 1.119 10 0 ADAERN CC(C)(C[C@H]([NH3+])C1CCC1)C(=O)[O-] 259481071 573506385 /nfs/dbraw/zinc/50/63/85/573506385.db2.gz SJFARTYSPVZJGA-QMMMGPOBSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H](O)C(n1cccc1)n1cccc1 238419332 573507117 /nfs/dbraw/zinc/50/71/17/573507117.db2.gz BBWDPJXMJUHLIV-JTQLQIEISA-N 0 0 190.246 1.717 10 0 ADAERN C[C@@H]1C[C@@]1(C)C[C@@H]1CCC(=O)N1 714704387 573507746 /nfs/dbraw/zinc/50/77/46/573507746.db2.gz CLQUEXWLZXIDEF-WEDXCCLWSA-N 0 0 167.252 1.701 10 0 ADAERN Nc1nnccc1-c1ccc(F)cc1 258713143 573507122 /nfs/dbraw/zinc/50/71/22/573507122.db2.gz YYQXAGRHCNXXJE-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN O=C(c1cn[nH]c1)C1CC1 107323889 573507134 /nfs/dbraw/zinc/50/71/34/573507134.db2.gz CDYLFBHPKHONDL-UHFFFAOYSA-N 0 0 136.154 1.002 10 0 ADAERN CCCO[C@@H]1CCCC(=O)C1 86603632 573513722 /nfs/dbraw/zinc/51/37/22/573513722.db2.gz LRJBENDNJWGRSE-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN CCC(CC)N[C@H]1C[C@H](C)OC1=O 308396153 573507157 /nfs/dbraw/zinc/50/71/57/573507157.db2.gz DGSVTNJJFHGVIC-CBAPKCEASA-N 0 0 185.267 1.469 10 0 ADAERN CCOc1cc(OC)ccc1CCO 258050373 573507037 /nfs/dbraw/zinc/50/70/37/573507037.db2.gz KNUBAYWIWCDCSL-UHFFFAOYSA-N 0 0 196.246 1.629 10 0 ADAERN COc1ccc(N(C)C(N)=O)cc1C 258708456 573507046 /nfs/dbraw/zinc/50/70/46/573507046.db2.gz OEFQNVYSWGUNNN-UHFFFAOYSA-N 0 0 194.234 1.519 10 0 ADAERN CC[C@@H]1CCC[C@@](O)(C(N)=O)CC1 83436712 573507049 /nfs/dbraw/zinc/50/70/49/573507049.db2.gz ITXPOANVRCDDKO-SCZZXKLOSA-N 0 0 185.267 1.193 10 0 ADAERN CCc1ccc(F)c([C@H]([NH3+])C(=O)[O-])c1 258050418 573507050 /nfs/dbraw/zinc/50/70/50/573507050.db2.gz KOKDUWMVLKLGBE-VIFPVBQESA-N 0 0 197.209 1.473 10 0 ADAERN Nc1nc(CCc2cccnc2)co1 258708382 573507077 /nfs/dbraw/zinc/50/70/77/573507077.db2.gz YKVQVOSZDBTLBZ-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN C[N@@H+]1CC[C@@H](C2CC2)[C@H](C(=O)[O-])CC1 214905461 573507079 /nfs/dbraw/zinc/50/70/79/573507079.db2.gz MLPJJNOREUAZQO-VHSXEESVSA-N 0 0 197.278 1.439 10 0 ADAERN C/C(=C\c1ccco1)[C@@H](O)[C@H](C)O 238419724 573507092 /nfs/dbraw/zinc/50/70/92/573507092.db2.gz SYCQZBGORGOFHM-GNUSTCSGSA-N 0 0 182.219 1.425 10 0 ADAERN CCNc1cc(N(C)C#N)nc(C)n1 258714382 573507105 /nfs/dbraw/zinc/50/71/05/573507105.db2.gz LLMYFTRRSNAZBJ-UHFFFAOYSA-N 0 0 191.238 1.134 10 0 ADAERN CCc1cc(C(C)=O)ncn1 107324920 573507756 /nfs/dbraw/zinc/50/77/56/573507756.db2.gz REJGZLGHQRFINY-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN CC[C@@](C)(CC1COC1)C(=O)OC 258715841 573507356 /nfs/dbraw/zinc/50/73/56/573507356.db2.gz ZGFQAFOLNHXYRO-JTQLQIEISA-N 0 0 186.251 1.612 10 0 ADAERN C[C@@H]1C[C@]1(C)C[C@H]1CCC(=O)N1 714704385 573507365 /nfs/dbraw/zinc/50/73/65/573507365.db2.gz CLQUEXWLZXIDEF-NQMVMOMDSA-N 0 0 167.252 1.701 10 0 ADAERN COCc1c[nH]c2cc(N)ccc12 258050198 573507381 /nfs/dbraw/zinc/50/73/81/573507381.db2.gz OGMUZYDCNJDQHI-UHFFFAOYSA-N 0 0 176.219 1.897 10 0 ADAERN CC(C)C(=O)c1cc[nH]n1 107324001 573507769 /nfs/dbraw/zinc/50/77/69/573507769.db2.gz FBMDJZDQLQHMLW-UHFFFAOYSA-N 0 0 138.170 1.248 10 0 ADAERN CC(=O)S/C=C/C[C@H](C)O 238419708 573507398 /nfs/dbraw/zinc/50/73/98/573507398.db2.gz QHRNPUZUKOHWIH-QVQDZQDPSA-N 0 0 160.238 1.551 10 0 ADAERN CC[C@H]1CCC[C@@](O)(C(N)=O)CC1 83436713 573507438 /nfs/dbraw/zinc/50/74/38/573507438.db2.gz ITXPOANVRCDDKO-WPRPVWTQSA-N 0 0 185.267 1.193 10 0 ADAERN CC(=O)c1c[nH]nc1C1CC1 107324913 573507447 /nfs/dbraw/zinc/50/74/47/573507447.db2.gz XLLXMDNAHDFVNH-UHFFFAOYSA-N 0 0 150.181 1.490 10 0 ADAERN CC1(C)CCC[C@](O)(C(N)=O)CC1 83436714 573507461 /nfs/dbraw/zinc/50/74/61/573507461.db2.gz KWWQLYJBTVYDTE-SNVBAGLBSA-N 0 0 185.267 1.193 10 0 ADAERN CC(=O)[C@]1(C)O[C@@H](C)C1(C)C 238419503 573507488 /nfs/dbraw/zinc/50/74/88/573507488.db2.gz DNLAGXVAUGBIKJ-CBAPKCEASA-N 0 0 156.225 1.779 10 0 ADAERN C[C@@H]1CC(C)(C)CC(=O)[C@@H]1CO 238418936 573507494 /nfs/dbraw/zinc/50/74/94/573507494.db2.gz VFMLFLGRVHTIBF-HTQZYQBOSA-N 0 0 170.252 1.620 10 0 ADAERN CC(=O)N[C@@H](C)Cc1nc(C)cs1 238419170 573507512 /nfs/dbraw/zinc/50/75/12/573507512.db2.gz WWGRYEKJGKVROO-LURJTMIESA-N 0 0 198.291 1.519 10 0 ADAERN CCc1nc(C=O)c(C)s1 258718171 573507513 /nfs/dbraw/zinc/50/75/13/573507513.db2.gz ZJSDNIIXIJZEDL-UHFFFAOYSA-N 0 0 155.222 1.826 10 0 ADAERN CCc1cccc(CC)c1C(=O)CN 258050494 573507516 /nfs/dbraw/zinc/50/75/16/573507516.db2.gz KQNVLBGHWVOWAH-UHFFFAOYSA-N 0 0 191.274 1.953 10 0 ADAERN CSc1ccc(NC(=O)C=O)cc1 258714924 573507523 /nfs/dbraw/zinc/50/75/23/573507523.db2.gz OVXMRXHSVFBKQV-UHFFFAOYSA-N 0 0 195.243 1.546 10 0 ADAERN C[C@H](CCCO)C1N=N1 238419828 573507525 /nfs/dbraw/zinc/50/75/25/573507525.db2.gz UZEXROIATSTPDB-RXMQYKEDSA-N 0 0 128.175 1.187 10 0 ADAERN Cc1ccc(Cc2nc(=O)[nH]o2)cc1 258049194 573507559 /nfs/dbraw/zinc/50/75/59/573507559.db2.gz OXCXGXAKMSQKLW-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN O=C(S)NCc1cccc(F)c1 258712634 573507737 /nfs/dbraw/zinc/50/77/37/573507737.db2.gz OPFMIHICUWTRNJ-UHFFFAOYSA-N 0 0 185.223 1.965 10 0 ADAERN C[C@@H]1CO[C@](C)(c2ccco2)N1 258718226 573507602 /nfs/dbraw/zinc/50/76/02/573507602.db2.gz VEAAQZMPBAZRHO-VXNVDRBHSA-N 0 0 167.208 1.461 10 0 ADAERN C[C@@H]1CCC[C@H](O)[C@@H]1OCN(C)C 238419819 573507623 /nfs/dbraw/zinc/50/76/23/573507623.db2.gz ATXBHGUXJFAMEQ-KXUCPTDWSA-N 0 0 187.283 1.072 10 0 ADAERN C[C@@]12CC=CC[C@H]1C(=O)CCC2=O 238419276 573507640 /nfs/dbraw/zinc/50/76/40/573507640.db2.gz FJEOGAMKLHVBKL-GZMMTYOYSA-N 0 0 178.231 1.891 10 0 ADAERN C[C@@H]1CC(C)(C)N(C(N)=O)C(=O)O1 238419721 573507662 /nfs/dbraw/zinc/50/76/62/573507662.db2.gz XHFVBJGKTBWWDT-RXMQYKEDSA-N 0 0 186.211 1.075 10 0 ADAERN Cc1cc2cccc(N)n2n1 107324577 573507672 /nfs/dbraw/zinc/50/76/72/573507672.db2.gz HUYDBLJIBLPFEY-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN O=C(NCCC1(F)CCC1)C(F)F 308400467 573507684 /nfs/dbraw/zinc/50/76/84/573507684.db2.gz HZKGPEVYNPHEQX-UHFFFAOYSA-N 0 0 195.184 1.650 10 0 ADAERN CO[C@@H](C)c1ncc(CO)s1 86592002 573507689 /nfs/dbraw/zinc/50/76/89/573507689.db2.gz WMLUTFYJFCKJJX-YFKPBYRVSA-N 0 0 173.237 1.343 10 0 ADAERN C[C@@H]1CCC[C@H](OC(N)=O)C1 238420006 573507732 /nfs/dbraw/zinc/50/77/32/573507732.db2.gz DOEIYNAFEDWMKO-RQJHMYQMSA-N 0 0 157.213 1.660 10 0 ADAERN CCO[C@@H](C)CNC(=O)[C@@H](C)CC 308400390 573507733 /nfs/dbraw/zinc/50/77/33/573507733.db2.gz GTWJJHAVDCXXKH-IUCAKERBSA-N 0 0 187.283 1.574 10 0 ADAERN CO[C@]12CCC[C@]1(C)C(=O)CC2 238419462 573507709 /nfs/dbraw/zinc/50/77/09/573507709.db2.gz AOAWTKZCUHIENL-ZJUUUORDSA-N 0 0 168.236 1.925 10 0 ADAERN O=C1CCCc2cnoc21 107323938 573507720 /nfs/dbraw/zinc/50/77/20/573507720.db2.gz SBODGCGSHFVKEK-UHFFFAOYSA-N 0 0 137.138 1.194 10 0 ADAERN OC[C@H]1CCc2c(O)cccc21 258501073 573507821 /nfs/dbraw/zinc/50/78/21/573507821.db2.gz KWYUHASAGBHXIL-SSDOTTSWSA-N 0 0 164.204 1.414 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]1C 308400454 573507835 /nfs/dbraw/zinc/50/78/35/573507835.db2.gz GUQZRGWYGVFAOL-XHNCKOQMSA-N 0 0 183.251 1.032 10 0 ADAERN CC(=O)C[C@]1(C)O[C@H]1C 238419989 573507849 /nfs/dbraw/zinc/50/78/49/573507849.db2.gz BXBBTNLFAHKVPU-BQBZGAKWSA-N 0 0 128.171 1.143 10 0 ADAERN Cc1ccc2c(ccn2CCO)c1 75233530 573507854 /nfs/dbraw/zinc/50/78/54/573507854.db2.gz LHALOWMPVJOHNA-UHFFFAOYSA-N 0 0 175.231 1.942 10 0 ADAERN CNc1cc(SC)nn1C 107322783 573507855 /nfs/dbraw/zinc/50/78/55/573507855.db2.gz MGLKXQWAHCINJB-UHFFFAOYSA-N 0 0 157.242 1.184 10 0 ADAERN C/C(=C\c1ccccc1)[C@@H](O)[C@H](C)O 238419703 573507858 /nfs/dbraw/zinc/50/78/58/573507858.db2.gz UONPFMPAOYHEPH-SEOINYINSA-N 0 0 192.258 1.832 10 0 ADAERN Cc1ccc(C)c(NC(=O)C=O)c1 258710113 573507866 /nfs/dbraw/zinc/50/78/66/573507866.db2.gz KSWPNHLRVQCBRZ-UHFFFAOYSA-N 0 0 177.203 1.441 10 0 ADAERN CC(C)[C@@H](CO)Cc1ccc[nH]1 259483043 573511354 /nfs/dbraw/zinc/51/13/54/573511354.db2.gz SKQRLBZBWWBSSE-SECBINFHSA-N 0 0 167.252 1.822 10 0 ADAERN Cc1nccn1[C@@H]1CCC[C@H](O)C1 86602846 573511355 /nfs/dbraw/zinc/51/13/55/573511355.db2.gz NLUBYXIKGFBVEZ-ZJUUUORDSA-N 0 0 180.251 1.668 10 0 ADAERN O=C1CCC[C@@H](OC[C@H]2CCCO2)C1 86603243 573511425 /nfs/dbraw/zinc/51/14/25/573511425.db2.gz ZXFYKVATJXKWGG-GHMZBOCLSA-N 0 0 198.262 1.694 10 0 ADAERN Cc1ccn([C@H]2CCCC(=O)C2)n1 86603074 573510984 /nfs/dbraw/zinc/51/09/84/573510984.db2.gz XWDMHOICCBEUEV-VIFPVBQESA-N 0 0 178.235 1.876 10 0 ADAERN O[C@]1(c2ccsc2)CCCOC1 83448669 573510985 /nfs/dbraw/zinc/51/09/85/573510985.db2.gz GBNQWYAKDAXJJE-SECBINFHSA-N 0 0 184.260 1.746 10 0 ADAERN Cc1cnn([C@H]2CCC[C@H](O)C2)c1 86602973 573510992 /nfs/dbraw/zinc/51/09/92/573510992.db2.gz PKBPDKSMUGSIMA-UWVGGRQHSA-N 0 0 180.251 1.668 10 0 ADAERN CSc1nc(N)c(Cl)c(N)n1 107323026 573510996 /nfs/dbraw/zinc/51/09/96/573510996.db2.gz LYTMOFNTERDVSE-UHFFFAOYSA-N 0 0 190.659 1.016 10 0 ADAERN CC[C@@H](CO)C(=O)OCC=C(C)C 308396861 573511571 /nfs/dbraw/zinc/51/15/71/573511571.db2.gz DSSJERXOYWQKSR-VIFPVBQESA-N 0 0 186.251 1.514 10 0 ADAERN CC(C)CCN(C)O 257823726 573511004 /nfs/dbraw/zinc/51/10/04/573511004.db2.gz FVYURGRSHQKXSJ-UHFFFAOYSA-N 0 0 117.192 1.354 10 0 ADAERN CCO[C@H](C)CNC(=O)c1ccco1 126336874 573511005 /nfs/dbraw/zinc/51/10/05/573511005.db2.gz WITJTZCMLMMJSC-MRVPVSSYSA-N 0 0 197.234 1.434 10 0 ADAERN C[C@@H]1O[C@H]1C[C@@H](O)c1ccccc1 238423343 573511650 /nfs/dbraw/zinc/51/16/50/573511650.db2.gz JYESLHAVZNALMU-GDPRMGEGSA-N 0 0 178.231 1.897 10 0 ADAERN COc1c(C(F)F)ncc(C)c1N 238422559 573511732 /nfs/dbraw/zinc/51/17/32/573511732.db2.gz ILURTKPORPXIIA-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CNc1cc(SC)on1 107322967 573509442 /nfs/dbraw/zinc/50/94/42/573509442.db2.gz WRWSHTGJPGGTPE-UHFFFAOYSA-N 0 0 144.199 1.438 10 0 ADAERN CO[C@@H](C)c1nc(C)cc(C=O)n1 86591113 573509445 /nfs/dbraw/zinc/50/94/45/573509445.db2.gz JNAGROLKMMDOFX-ZETCQYMHSA-N 0 0 180.207 1.305 10 0 ADAERN C[C@@H]1O[C@@]1(Cl)[C@@H](O)OC(C)(C)C 238420231 573509482 /nfs/dbraw/zinc/50/94/82/573509482.db2.gz AIRXJHWGNUWCRW-VMHSAVOQSA-N 0 0 194.658 1.474 10 0 ADAERN COCCC[C@@H](C)Nc1ccnn1C 308609998 573509505 /nfs/dbraw/zinc/50/95/05/573509505.db2.gz QKYWOZYNYPXTTL-SECBINFHSA-N 0 0 197.282 1.647 10 0 ADAERN [NH3+]CC1(C(=O)[O-])CCC(F)(F)CC1 259613502 573509509 /nfs/dbraw/zinc/50/95/09/573509509.db2.gz DTNAGFFLGNQRNF-UHFFFAOYSA-N 0 0 193.193 1.225 10 0 ADAERN COCOC/C=C\C/C=C\CO 215242347 573509523 /nfs/dbraw/zinc/50/95/23/573509523.db2.gz ULAACNGTVICCRT-GLIMQPGKSA-N 0 0 172.224 1.102 10 0 ADAERN COC[C@](C)(O)c1ccsc1 83447573 573509525 /nfs/dbraw/zinc/50/95/25/573509525.db2.gz YXJAGORJTLCWDC-QMMMGPOBSA-N 0 0 172.249 1.602 10 0 ADAERN CCc1cc(CC(=O)OC)sn1 259482045 573509526 /nfs/dbraw/zinc/50/95/26/573509526.db2.gz RGBSGWLUPBYOAN-UHFFFAOYSA-N 0 0 185.248 1.421 10 0 ADAERN C[C@@H]1O[C@@]12CCCCC2=O 238420295 573509537 /nfs/dbraw/zinc/50/95/37/573509537.db2.gz FWXROCUBJDIKQX-XPUUQOCRSA-N 0 0 140.182 1.287 10 0 ADAERN COc1c(CO)cnn1C1CCCC1 258050868 573509565 /nfs/dbraw/zinc/50/95/65/573509565.db2.gz RMCPGJFBZXEWBA-UHFFFAOYSA-N 0 0 196.250 1.499 10 0 ADAERN C[C@]12C=CC[C@]1(O)CC(=O)CC2 238421296 573509591 /nfs/dbraw/zinc/50/95/91/573509591.db2.gz UKXWNYOBJYYEMN-ZJUUUORDSA-N 0 0 166.220 1.437 10 0 ADAERN Cn1ccc(CC2=C[C@@H](O)CC2)n1 124532172 573509617 /nfs/dbraw/zinc/50/96/17/573509617.db2.gz OSHHIPCHGOHMPH-JTQLQIEISA-N 0 0 178.235 1.044 10 0 ADAERN Nc1ccc(F)cc1C(=O)CCCO 257821880 573511651 /nfs/dbraw/zinc/51/16/51/573511651.db2.gz GBRULXLFYRMNKO-UHFFFAOYSA-N 0 0 197.209 1.363 10 0 ADAERN CCO[C@@H](C1CC1)[C@H](O)CC 124532469 573509632 /nfs/dbraw/zinc/50/96/32/573509632.db2.gz MHYWFLSYHIUTTO-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN CC(=O)Cc1nc(-c2ccc[nH]2)c[nH]1 259110979 573509647 /nfs/dbraw/zinc/50/96/47/573509647.db2.gz OXWQEOBCHIJCSL-UHFFFAOYSA-N 0 0 189.218 1.536 10 0 ADAERN CC(=O)N(C)c1ccc2ncoc2c1 258726027 573509656 /nfs/dbraw/zinc/50/96/56/573509656.db2.gz IJOXLNMAQJIOSW-UHFFFAOYSA-N 0 0 190.202 1.811 10 0 ADAERN CC(C)CCCN(C)C(=O)CCO 258721625 573509667 /nfs/dbraw/zinc/50/96/67/573509667.db2.gz DLXIWPBVLBKITB-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN COC(=O)[C@@H](F)[C@H](O)c1ccccc1 257821869 573509681 /nfs/dbraw/zinc/50/96/81/573509681.db2.gz GBDRELUXCIXYNN-DTWKUNHWSA-N 0 0 198.193 1.231 10 0 ADAERN O[C@@]1(c2ccnc(Cl)c2)CCOC1 224212692 573509759 /nfs/dbraw/zinc/50/97/59/573509759.db2.gz XAXGFMBAYCOOGL-VIFPVBQESA-N 0 0 199.637 1.343 10 0 ADAERN O=C([O-])C[C@@H]1CCCC[N@@H+]2CCC[C@H]12 257823774 573509761 /nfs/dbraw/zinc/50/97/61/573509761.db2.gz GRJSXAHHGKQCHQ-VHSXEESVSA-N 0 0 197.278 1.726 10 0 ADAERN COc1cncc(C2=C[C@@H](O)CC2)c1 124537045 573509765 /nfs/dbraw/zinc/50/97/65/573509765.db2.gz XKBQEGPLEFUKKU-JTQLQIEISA-N 0 0 191.230 1.628 10 0 ADAERN CC(C)C[NH2+]C[C@H](C)CC(=O)[O-] 258719703 573509780 /nfs/dbraw/zinc/50/97/80/573509780.db2.gz UCMCEKTZHAUIRK-MRVPVSSYSA-N 0 0 173.256 1.343 10 0 ADAERN OC1(CCSc2cccnn2)CC1 308397331 573509801 /nfs/dbraw/zinc/50/98/01/573509801.db2.gz FUIXDHWHSUHWSV-UHFFFAOYSA-N 0 0 196.275 1.484 10 0 ADAERN Cc1ccn([C@H]2CCC[C@H](O)C2)n1 86603176 573509827 /nfs/dbraw/zinc/50/98/27/573509827.db2.gz JYTIDBOMXBOZHD-UWVGGRQHSA-N 0 0 180.251 1.668 10 0 ADAERN CC[C@H](F)CN1C[C@H](F)C[C@@H]1CO 308397147 573509890 /nfs/dbraw/zinc/50/98/90/573509890.db2.gz DYAZNTBHMBMXNA-DJLDLDEBSA-N 0 0 193.237 1.139 10 0 ADAERN CC(=O)N1C=CC(C)([C@H](C)O)C=C1 238420334 573509902 /nfs/dbraw/zinc/50/99/02/573509902.db2.gz XXJNIRFPOXTPND-QMMMGPOBSA-N 0 0 181.235 1.263 10 0 ADAERN O=C1NNC[C@H](c2cccc(F)c2)O1 257821932 573509916 /nfs/dbraw/zinc/50/99/16/573509916.db2.gz GDVZEKRCLZTXKF-MRVPVSSYSA-N 0 0 196.181 1.111 10 0 ADAERN C[C@@H]1[NH2+]C[C@H](C2CC2)C[C@@H]1C(=O)[O-] 238420214 573509922 /nfs/dbraw/zinc/50/99/22/573509922.db2.gz UPHGLLRBYIVDOQ-ZQARSLAVSA-N 0 0 183.251 1.095 10 0 ADAERN C[C@@H]1CC(C)(C)NC1=S 238420203 573509929 /nfs/dbraw/zinc/50/99/29/573509929.db2.gz XOODFPXWTLVWDM-RXMQYKEDSA-N 0 0 143.255 1.722 10 0 ADAERN O[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 86603300 573509942 /nfs/dbraw/zinc/50/99/42/573509942.db2.gz QXOXRCDCZDTJFJ-RNFRBKRXSA-N 0 0 198.184 1.869 10 0 ADAERN CCCC(=O)NC[C@H](C)OCC 126329820 573509946 /nfs/dbraw/zinc/50/99/46/573509946.db2.gz XXAMHXSOCRJNKD-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN CO[C@]12C[C@@]1(C)CCCC2=O 238421355 573509948 /nfs/dbraw/zinc/50/99/48/573509948.db2.gz DVQGJYBWEBSIDJ-BDAKNGLRSA-N 0 0 154.209 1.535 10 0 ADAERN Cc1cc([C@@]2(O)CCOC2)cs1 83447668 573509957 /nfs/dbraw/zinc/50/99/57/573509957.db2.gz XPNXXSZVCBYRNM-SECBINFHSA-N 0 0 184.260 1.664 10 0 ADAERN CC1CC(C(=O)[O-])([C@@H]2CCC[NH2+]C2)C1 258050736 573511663 /nfs/dbraw/zinc/51/16/63/573511663.db2.gz KBIKKXWJXZEXGS-INWMGODYSA-N 0 0 197.278 1.487 10 0 ADAERN COc1c(C=O)ccc(C)c1O 238431419 573509973 /nfs/dbraw/zinc/50/99/73/573509973.db2.gz JGKIVAOPLRULHX-UHFFFAOYSA-N 0 0 166.176 1.522 10 0 ADAERN Cc1ccn([C@@H]2CCC[C@H](O)C2)n1 86603174 573510008 /nfs/dbraw/zinc/51/00/08/573510008.db2.gz JYTIDBOMXBOZHD-ZJUUUORDSA-N 0 0 180.251 1.668 10 0 ADAERN COCOC/C=C/C/C=C/CO 215242502 573510050 /nfs/dbraw/zinc/51/00/50/573510050.db2.gz ULAACNGTVICCRT-GGWOSOGESA-N 0 0 172.224 1.102 10 0 ADAERN CC1(c2cccnc2)COC1 258726628 573510082 /nfs/dbraw/zinc/51/00/82/573510082.db2.gz PAJCOYKPDGLWGZ-UHFFFAOYSA-N 0 0 149.193 1.370 10 0 ADAERN CC(=O)c1cn(C2CC2)cn1 107324929 573510088 /nfs/dbraw/zinc/51/00/88/573510088.db2.gz ITGBKPLOUHFGSS-UHFFFAOYSA-N 0 0 150.181 1.421 10 0 ADAERN CCOC(=O)CC(C)(C)CCCO 238256341 573510091 /nfs/dbraw/zinc/51/00/91/573510091.db2.gz JTBIAMMINHEHFA-UHFFFAOYSA-N 0 0 188.267 1.738 10 0 ADAERN C[C@H](O)C(C)(C)C(C)(C)[C@@H](C)O 238420363 573510123 /nfs/dbraw/zinc/51/01/23/573510123.db2.gz ZZLOEZLYXBXTGI-OCAPTIKFSA-N 0 0 174.284 1.800 10 0 ADAERN Cn1ccc(CC2=C[C@H](O)CCC2)n1 124531011 573510140 /nfs/dbraw/zinc/51/01/40/573510140.db2.gz ZDALLAHYHOOWCA-LLVKDONJSA-N 0 0 192.262 1.434 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H](CC(=O)[O-])C1CC1 130189135 573510141 /nfs/dbraw/zinc/51/01/41/573510141.db2.gz JKDVJOKWOKHBAU-APPZFPTMSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@]12CCC(=O)C[C@H]1CC(=O)C2 238421421 573510149 /nfs/dbraw/zinc/51/01/49/573510149.db2.gz OLGZGISSUCAZNI-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN CC[C@@H](O)C(=O)NCCC1CCC1 308397187 573510152 /nfs/dbraw/zinc/51/01/52/573510152.db2.gz FATFXSZPGIMXHW-SECBINFHSA-N 0 0 185.267 1.064 10 0 ADAERN COc1cncc([C@H](C)C[C@H](C)O)c1 124531475 573510154 /nfs/dbraw/zinc/51/01/54/573510154.db2.gz RQRFWABQRGTDOJ-BDAKNGLRSA-N 0 0 195.262 1.965 10 0 ADAERN C[C@H]([NH3+])c1cc(F)ccc1CC(=O)[O-] 238420227 573510166 /nfs/dbraw/zinc/51/01/66/573510166.db2.gz KNMZFRXMVUTRIF-LURJTMIESA-N 0 0 197.209 1.473 10 0 ADAERN C[C@@H]1CC(C)(C)[C@@H](O)O1 238421307 573510185 /nfs/dbraw/zinc/51/01/85/573510185.db2.gz OIKCRJHAOUVCBC-RITPCOANSA-N 0 0 130.187 1.140 10 0 ADAERN Cc1cc(C)n([C@@H]2CCC[C@@H](O)C2)n1 86602867 573510190 /nfs/dbraw/zinc/51/01/90/573510190.db2.gz AWPIIONHJHMUIE-GHMZBOCLSA-N 0 0 194.278 1.976 10 0 ADAERN Cc1noc2c1CCCN2 107324011 573510223 /nfs/dbraw/zinc/51/02/23/573510223.db2.gz ZGRRRJKTIVXQCF-UHFFFAOYSA-N 0 0 138.170 1.341 10 0 ADAERN CCOC(=O)CN(C)[C@H]1CC1(C)C 308396843 573510229 /nfs/dbraw/zinc/51/02/29/573510229.db2.gz DRXLPUIFXRALGE-QMMMGPOBSA-N 0 0 185.267 1.280 10 0 ADAERN C/C=C\COC(=O)CO[C@H](C)CC 308396948 573510268 /nfs/dbraw/zinc/51/02/68/573510268.db2.gz DWGZNDXMOZEMQD-XTULLQBASA-N 0 0 186.251 1.921 10 0 ADAERN Cc1cnn([C@@H]2CCC[C@@H](O)C2)c1 86602975 573510271 /nfs/dbraw/zinc/51/02/71/573510271.db2.gz PKBPDKSMUGSIMA-NXEZZACHSA-N 0 0 180.251 1.668 10 0 ADAERN c1noc2c1NCCC2 107323620 573510323 /nfs/dbraw/zinc/51/03/23/573510323.db2.gz AIYOGZVLDMATMC-UHFFFAOYSA-N 0 0 124.143 1.033 10 0 ADAERN COC[C@](C)(O)c1csc(C)c1 83447569 573510330 /nfs/dbraw/zinc/51/03/30/573510330.db2.gz ONKILHGZKKIXRN-VIFPVBQESA-N 0 0 186.276 1.910 10 0 ADAERN CC[C@H]1NCN(CCC(C)(C)C)C1=O 130189925 573510340 /nfs/dbraw/zinc/51/03/40/573510340.db2.gz PFWAROVEZVINAD-SECBINFHSA-N 0 0 198.310 1.591 10 0 ADAERN CC[C@H](F)CN1C[C@H](F)C[C@H]1CO 308397149 573510351 /nfs/dbraw/zinc/51/03/51/573510351.db2.gz DYAZNTBHMBMXNA-YIZRAAEISA-N 0 0 193.237 1.139 10 0 ADAERN CC[C@@H]1NCN(CCC(C)(C)C)C1=O 130190134 573511678 /nfs/dbraw/zinc/51/16/78/573511678.db2.gz PFWAROVEZVINAD-VIFPVBQESA-N 0 0 198.310 1.591 10 0 ADAERN C[C@@H](O)C(=C1CC1)C1CC1 238421286 573510361 /nfs/dbraw/zinc/51/03/61/573510361.db2.gz GWEFGCHYINBRRQ-ZCFIWIBFSA-N 0 0 138.210 1.868 10 0 ADAERN CSCCSc1ncc[nH]1 238421446 573510367 /nfs/dbraw/zinc/51/03/67/573510367.db2.gz HMRSTRPYXOEHGJ-UHFFFAOYSA-N 0 0 174.294 1.865 10 0 ADAERN O[C@@H]1CCC[C@H](OC2CCC2)C1 86603649 573510375 /nfs/dbraw/zinc/51/03/75/573510375.db2.gz WKGIPUXSTQDZSG-SCZZXKLOSA-N 0 0 170.252 1.859 10 0 ADAERN O[C@H]1CCC[C@@H](OCC(F)(F)F)C1 86603297 573510384 /nfs/dbraw/zinc/51/03/84/573510384.db2.gz QXOXRCDCZDTJFJ-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN CNc1ccn(C(C)C)n1 107324146 573510391 /nfs/dbraw/zinc/51/03/91/573510391.db2.gz RIDRUYJTWDWTFU-UHFFFAOYSA-N 0 0 139.202 1.506 10 0 ADAERN CC(=O)NC[C@H](C)Nc1ccccc1 238420378 573510392 /nfs/dbraw/zinc/51/03/92/573510392.db2.gz XKNLHLWPRYUBPX-VIFPVBQESA-N 0 0 192.262 1.623 10 0 ADAERN CNc1nn(C)cc1Cl 107324532 573510399 /nfs/dbraw/zinc/51/03/99/573510399.db2.gz RAWKKMDRGSCMRC-UHFFFAOYSA-N 0 0 145.593 1.115 10 0 ADAERN O=C([O-])C[C@H]1CCCC[N@@H+]2CCC[C@H]12 257823772 573510403 /nfs/dbraw/zinc/51/04/03/573510403.db2.gz GRJSXAHHGKQCHQ-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@@H](CC(=O)[O-])C1CC1 130189354 573510430 /nfs/dbraw/zinc/51/04/30/573510430.db2.gz JKDVJOKWOKHBAU-CBAPKCEASA-N 0 0 183.251 1.334 10 0 ADAERN O=Cc1cn(C2CCC2)cn1 107325006 573510443 /nfs/dbraw/zinc/51/04/43/573510443.db2.gz JYRMRWZXFWSQNC-UHFFFAOYSA-N 0 0 150.181 1.421 10 0 ADAERN CCC[NH2+]C[C@@H](C)CC(=O)[O-] 258721578 573510455 /nfs/dbraw/zinc/51/04/55/573510455.db2.gz UFAQWCNCJPNECI-ZETCQYMHSA-N 0 0 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10 0 ADAERN COC(=O)[C@@H](C)NCCC1CCC1 130187907 573511307 /nfs/dbraw/zinc/51/13/07/573511307.db2.gz WEOYGSUXQQXPHI-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CCO[C@H]1C[C@H]1COC(=O)C(C)C 308396941 573511374 /nfs/dbraw/zinc/51/13/74/573511374.db2.gz DWDFBHJILSRBHS-IUCAKERBSA-N 0 0 186.251 1.611 10 0 ADAERN CCO[C@@H]1C[C@H]1COC(=O)C(C)C 308396940 573511398 /nfs/dbraw/zinc/51/13/98/573511398.db2.gz DWDFBHJILSRBHS-DTWKUNHWSA-N 0 0 186.251 1.611 10 0 ADAERN ONCc1cccc(CF)c1 258050566 573511404 /nfs/dbraw/zinc/51/14/04/573511404.db2.gz RJVJRRDTZXHQOL-UHFFFAOYSA-N 0 0 155.172 1.635 10 0 ADAERN O=C1CCC[C@H](OC[C@@H]2CCCO2)C1 86603235 573511413 /nfs/dbraw/zinc/51/14/13/573511413.db2.gz ZXFYKVATJXKWGG-QWRGUYRKSA-N 0 0 198.262 1.694 10 0 ADAERN CCc1cnc2ncc(C=O)n2c1 257824003 573511448 /nfs/dbraw/zinc/51/14/48/573511448.db2.gz GOJKQTMFORLASS-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CCC[NH2+]C[C@H](C)CC(=O)[O-] 258721575 573511449 /nfs/dbraw/zinc/51/14/49/573511449.db2.gz UFAQWCNCJPNECI-SSDOTTSWSA-N 0 0 159.229 1.097 10 0 ADAERN O=C(OCc1ccc[nH]1)C1CCC1 308397285 573511454 /nfs/dbraw/zinc/51/14/54/573511454.db2.gz FPPUJDVQIXLQJE-UHFFFAOYSA-N 0 0 179.219 1.858 10 0 ADAERN O[C@H](c1ccsc1)c1ncccn1 83450337 573511473 /nfs/dbraw/zinc/51/14/73/573511473.db2.gz SJDKYWJOYQXPCT-MRVPVSSYSA-N 0 0 192.243 1.620 10 0 ADAERN CCC1(C2CCC(O)CC2)COC1 258500285 573511474 /nfs/dbraw/zinc/51/14/74/573511474.db2.gz DSTFNSWUUXDDNB-UHFFFAOYSA-N 0 0 184.279 1.964 10 0 ADAERN CN1C[C@@H](CON)c2c(F)cccc21 258050883 573511490 /nfs/dbraw/zinc/51/14/90/573511490.db2.gz LDORKLHQZODKGY-ZETCQYMHSA-N 0 0 196.225 1.249 10 0 ADAERN O[C@H]1CCC[C@@H](n2cccn2)C1 86602937 573511508 /nfs/dbraw/zinc/51/15/08/573511508.db2.gz NCFWWCBRDQMYAH-BDAKNGLRSA-N 0 0 166.224 1.359 10 0 ADAERN O[C@@H]1CCC[C@@H](OC2CCC2)C1 86603648 573511527 /nfs/dbraw/zinc/51/15/27/573511527.db2.gz WKGIPUXSTQDZSG-PSASIEDQSA-N 0 0 170.252 1.859 10 0 ADAERN Cc1ncn([C@H]2CCC[C@@H](O)C2)c1C 86603057 573511533 /nfs/dbraw/zinc/51/15/33/573511533.db2.gz DOUGFANODZXIAC-WDEREUQCSA-N 0 0 194.278 1.976 10 0 ADAERN CCCCOCc1ccnc(=NN)[nH]1 308610822 573511535 /nfs/dbraw/zinc/51/15/35/573511535.db2.gz YGMBMESTBCCCCZ-UHFFFAOYSA-N 0 0 196.254 1.079 10 0 ADAERN O[C@H]1CCC[C@H](n2ccnc2)C1 86602824 573511561 /nfs/dbraw/zinc/51/15/61/573511561.db2.gz PFYNMJUIPSMLPU-IUCAKERBSA-N 0 0 166.224 1.359 10 0 ADAERN O[C@@H](c1ccsc1)c1ccncn1 83448519 573511570 /nfs/dbraw/zinc/51/15/70/573511570.db2.gz NPKZHLFJYPJHNQ-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN O[C@@H]1CCC[C@@H](n2cccn2)C1 86602940 573511597 /nfs/dbraw/zinc/51/15/97/573511597.db2.gz NCFWWCBRDQMYAH-RKDXNWHRSA-N 0 0 166.224 1.359 10 0 ADAERN C[C@@H]1N[C@H]2CCCC[C@@H]2C[N@@H+]1C 238422867 573511608 /nfs/dbraw/zinc/51/16/08/573511608.db2.gz CCHUSRLQXCMFAI-BBBLOLIVSA-N 0 0 168.284 1.426 10 0 ADAERN C/C=C/COC(=O)CO[C@@H](C)CC 308396945 573511625 /nfs/dbraw/zinc/51/16/25/573511625.db2.gz DWGZNDXMOZEMQD-DNQSNQRASA-N 0 0 186.251 1.921 10 0 ADAERN O[C@H]1CCC[C@H](OC2CCC2)C1 86603647 573511646 /nfs/dbraw/zinc/51/16/46/573511646.db2.gz WKGIPUXSTQDZSG-WPRPVWTQSA-N 0 0 170.252 1.859 10 0 ADAERN O=C([O-])C[C@@H](C1CC1)[NH+]1CC=CC1 130188896 573511693 /nfs/dbraw/zinc/51/16/93/573511693.db2.gz HUYRWFROCVJNBZ-VIFPVBQESA-N 0 0 181.235 1.112 10 0 ADAERN CCN(CC)c1ncc(C(=O)OC)o1 259480698 573511697 /nfs/dbraw/zinc/51/16/97/573511697.db2.gz AFLOCDPRSYDGHK-UHFFFAOYSA-N 0 0 198.222 1.307 10 0 ADAERN C[C@@H](O)[C@@H](F)C(C)(C)C 257823729 573511701 /nfs/dbraw/zinc/51/17/01/573511701.db2.gz FWJNIANJCXVZOA-PHDIDXHHSA-N 0 0 134.194 1.751 10 0 ADAERN Cc1cc(F)c(O)c(C=O)c1 107326094 573511703 /nfs/dbraw/zinc/51/17/03/573511703.db2.gz KCXJQPWEZOQDQG-UHFFFAOYSA-N 0 0 154.140 1.652 10 0 ADAERN O=CC(=O)Nc1coc2ccccc12 258719176 573511710 /nfs/dbraw/zinc/51/17/10/573511710.db2.gz PITRKJJCWFVTCG-UHFFFAOYSA-N 0 0 189.170 1.570 10 0 ADAERN OCc1nc(-c2ccc(O)cc2)c[nH]1 257821940 573511730 /nfs/dbraw/zinc/51/17/30/573511730.db2.gz GEDBWRVUTUEVHT-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN CC(=O)CC1(c2ccccn2)COC1 258719875 573511735 /nfs/dbraw/zinc/51/17/35/573511735.db2.gz OMRDGFQVSCBNPJ-UHFFFAOYSA-N 0 0 191.230 1.329 10 0 ADAERN CC(=O)c1cn(C(C)C)cn1 107325481 573511746 /nfs/dbraw/zinc/51/17/46/573511746.db2.gz AYHCOKKMXQCEMW-UHFFFAOYSA-N 0 0 152.197 1.667 10 0 ADAERN CC(C)C[C@@](C[NH3+])(CF)C(=O)[O-] 257824008 573511759 /nfs/dbraw/zinc/51/17/59/573511759.db2.gz GOOQSVCQZLDJES-QMMMGPOBSA-N 0 0 177.219 1.032 10 0 ADAERN C[C@H](O)[C@H]1CC(F)(F)C1(F)F 238422933 573511766 /nfs/dbraw/zinc/51/17/66/573511766.db2.gz UXULYCOTSMYWMJ-IUYQGCFVSA-N 0 0 172.121 1.658 10 0 ADAERN C[C@H](O)[C@H]1CC=CC[C@@H]1C 238423137 573511777 /nfs/dbraw/zinc/51/17/77/573511777.db2.gz NAPIUDVUYFHAPO-CIUDSAMLSA-N 0 0 140.226 1.970 10 0 ADAERN CN1C[C@H](CON)c2c(F)cccc21 258050882 573511783 /nfs/dbraw/zinc/51/17/83/573511783.db2.gz LDORKLHQZODKGY-SSDOTTSWSA-N 0 0 196.225 1.249 10 0 ADAERN CC(C)CO[C@H]1CCC[C@H](O)C1 86603516 573511930 /nfs/dbraw/zinc/51/19/30/573511930.db2.gz NFNWAXOQEPKNET-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1nccn1[C@@H]1CCCC(=O)C1 86601593 573511809 /nfs/dbraw/zinc/51/18/09/573511809.db2.gz XEHUIBVRQPPVJO-SECBINFHSA-N 0 0 178.235 1.876 10 0 ADAERN CNc1nc(Cc2ccncc2)co1 258720559 573511816 /nfs/dbraw/zinc/51/18/16/573511816.db2.gz ZPXHVLMGGBUIEO-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN O[C@H]1CCC[C@@H](n2ccnc2)C1 86602821 573511854 /nfs/dbraw/zinc/51/18/54/573511854.db2.gz PFYNMJUIPSMLPU-BDAKNGLRSA-N 0 0 166.224 1.359 10 0 ADAERN CCOC(=O)CN(C)[C@@H]1CC1(C)C 308396842 573512338 /nfs/dbraw/zinc/51/23/38/573512338.db2.gz DRXLPUIFXRALGE-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN CC1CC(C(=O)[O-])([C@H]2CCC[NH2+]C2)C1 258050740 573513170 /nfs/dbraw/zinc/51/31/70/573513170.db2.gz KBIKKXWJXZEXGS-YUCVTWSNSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@]12C=C[C@]1(C)C(=O)CC2 238423067 573512653 /nfs/dbraw/zinc/51/26/53/573512653.db2.gz IVMMCGLVJXQSOA-DTWKUNHWSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@H]([NH3+])c1cc(O)cc(C(=O)[O-])c1 238423110 573512660 /nfs/dbraw/zinc/51/26/60/573512660.db2.gz ICJYSQQKLMZEQM-YFKPBYRVSA-N 0 0 181.191 1.110 10 0 ADAERN CN(C=O)CC(C)(C)C 78517991 573512668 /nfs/dbraw/zinc/51/26/68/573512668.db2.gz YDFJDAYFBVHACK-UHFFFAOYSA-N 0 0 129.203 1.121 10 0 ADAERN Cc1ccn([C@@H]2CCC[C@@H](O)C2)n1 86603178 573512675 /nfs/dbraw/zinc/51/26/75/573512675.db2.gz JYTIDBOMXBOZHD-NXEZZACHSA-N 0 0 180.251 1.668 10 0 ADAERN C[C@H]1N[C@H](C)C(=O)N1CC1(C)CCC1 235611973 573512678 /nfs/dbraw/zinc/51/26/78/573512678.db2.gz PDDQSHNGVPGFSC-BDAKNGLRSA-N 0 0 196.294 1.343 10 0 ADAERN CCc1nccn1[C@H]1CCC[C@H](O)C1 86603035 573512684 /nfs/dbraw/zinc/51/26/84/573512684.db2.gz OXEPJVUIEMWZGI-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN CC(C)/C=C/C[N@@H+]1CCC[C@H]1C(=O)[O-] 308396321 573512690 /nfs/dbraw/zinc/51/26/90/573512690.db2.gz PVIXOXSDCBSMJE-GFAPAMAISA-N 0 0 197.278 1.748 10 0 ADAERN C[C@H](O)/C(Cl)=C(\Cl)[C@@H](C)O 238422152 573512711 /nfs/dbraw/zinc/51/27/11/573512711.db2.gz LXDWEIQMGCRTMZ-JCWNNEBTSA-N 0 0 185.050 1.437 10 0 ADAERN COCCCc1nc(Cl)n[nH]1 83441163 573512712 /nfs/dbraw/zinc/51/27/12/573512712.db2.gz MIQOGJJQFVPRAJ-UHFFFAOYSA-N 0 0 175.619 1.037 10 0 ADAERN CCCCNC(=O)[C@@H](CO)C(C)C 258725336 573512719 /nfs/dbraw/zinc/51/27/19/573512719.db2.gz LYOFUYBBTMTCPP-VIFPVBQESA-N 0 0 187.283 1.167 10 0 ADAERN O=C(c1ccsc1)c1ncccn1 83450029 573512748 /nfs/dbraw/zinc/51/27/48/573512748.db2.gz ISVKWXOASQAZSL-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN COC1CC(NC(=O)CC2CC2)C1 308396548 573512763 /nfs/dbraw/zinc/51/27/63/573512763.db2.gz DNVVGGIWFKUDIJ-UHFFFAOYSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H](O)C1SCCS1 238422544 573512769 /nfs/dbraw/zinc/51/27/69/573512769.db2.gz KOMZRPGLKWMGSC-BYPYZUCNSA-N 0 0 150.268 1.173 10 0 ADAERN C[C@H](O)C1(O[C@H]2CCCCO2)CC1 238422705 573513188 /nfs/dbraw/zinc/51/31/88/573513188.db2.gz ULOSRRQYXYKCKQ-IUCAKERBSA-N 0 0 186.251 1.443 10 0 ADAERN COC[C@@H](O)c1ccsc1 83450387 573512786 /nfs/dbraw/zinc/51/27/86/573512786.db2.gz DMOMHZORZFRDDE-SSDOTTSWSA-N 0 0 158.222 1.428 10 0 ADAERN CC[C@H](O)C(=O)NCCC1CCC1 308397188 573512787 /nfs/dbraw/zinc/51/27/87/573512787.db2.gz FATFXSZPGIMXHW-VIFPVBQESA-N 0 0 185.267 1.064 10 0 ADAERN Cc1ncn([C@@H]2CCC[C@@H](O)C2)c1C 86603054 573512792 /nfs/dbraw/zinc/51/27/92/573512792.db2.gz DOUGFANODZXIAC-GHMZBOCLSA-N 0 0 194.278 1.976 10 0 ADAERN Cc1nc(C)n([C@@H]2CCC[C@H](O)C2)n1 86603007 573512808 /nfs/dbraw/zinc/51/28/08/573512808.db2.gz QVPJWNIJTLKYEN-ZJUUUORDSA-N 0 0 195.266 1.371 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H](CC)[NH+](C)C 259481936 573512814 /nfs/dbraw/zinc/51/28/14/573512814.db2.gz KQPUICLVNYQXAC-YUMQZZPRSA-N 0 0 173.256 1.437 10 0 ADAERN CC(C)C[NH2+]C[C@@H](C)CC(=O)[O-] 258719704 573512824 /nfs/dbraw/zinc/51/28/24/573512824.db2.gz UCMCEKTZHAUIRK-QMMMGPOBSA-N 0 0 173.256 1.343 10 0 ADAERN COCCCc1noc(Cl)n1 83440476 573512836 /nfs/dbraw/zinc/51/28/36/573512836.db2.gz QBMZWVUACJGORT-UHFFFAOYSA-N 0 0 176.603 1.302 10 0 ADAERN COc1cnc2cc(C=O)ccc2n1 257821962 573512838 /nfs/dbraw/zinc/51/28/38/573512838.db2.gz GFGNUZNKGDVHTN-UHFFFAOYSA-N 0 0 188.186 1.451 10 0 ADAERN COc1noc(C(C)=O)c1C 107326354 573512844 /nfs/dbraw/zinc/51/28/44/573512844.db2.gz HNVWGFGIYUETDI-UHFFFAOYSA-N 0 0 155.153 1.194 10 0 ADAERN O[C@H]1CCc2nc(C3CCC3)cn2C1 258727958 573512847 /nfs/dbraw/zinc/51/28/47/573512847.db2.gz YZUFCAJGGKGFRO-VIFPVBQESA-N 0 0 192.262 1.458 10 0 ADAERN O=C1CCC[C@@H](OCC2CC2)C1 86603370 573512848 /nfs/dbraw/zinc/51/28/48/573512848.db2.gz ALHCHHCGDBLEFB-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN O[C@H]1CCC[C@@H](OC2CCC2)C1 86603646 573512852 /nfs/dbraw/zinc/51/28/52/573512852.db2.gz WKGIPUXSTQDZSG-WCBMZHEXSA-N 0 0 170.252 1.859 10 0 ADAERN CNc1cnc(C(C)C)nc1 107325232 573512857 /nfs/dbraw/zinc/51/28/57/573512857.db2.gz MEFGNZOAVXOEBM-UHFFFAOYSA-N 0 0 151.213 1.642 10 0 ADAERN Cc1nc(C(C)C)nc(C)c1CO 258050727 573512884 /nfs/dbraw/zinc/51/28/84/573512884.db2.gz RKXXJWXSFBGUPQ-UHFFFAOYSA-N 0 0 180.251 1.709 10 0 ADAERN OCCCc1nc([C@@H]2CCCO2)co1 258050686 573512899 /nfs/dbraw/zinc/51/28/99/573512899.db2.gz KAXZGMRPTFEQOO-VIFPVBQESA-N 0 0 197.234 1.451 10 0 ADAERN O[C@H]1CCCc2nc(C3CCC3)cn21 258721082 573512901 /nfs/dbraw/zinc/51/29/01/573512901.db2.gz YWQLKLBDQLRYRK-NSHDSACASA-N 0 0 192.262 1.978 10 0 ADAERN COc1cc([C@H](C)O)cccc1=O 238422156 573512914 /nfs/dbraw/zinc/51/29/14/573512914.db2.gz LDZMBCUCLAKPSM-ZETCQYMHSA-N 0 0 180.203 1.109 10 0 ADAERN CC1=CCC(C(N)=O)=C[C@H](C)C1 238422734 573512922 /nfs/dbraw/zinc/51/29/22/573512922.db2.gz OROJWZBIIQXXJB-MRVPVSSYSA-N 0 0 165.236 1.774 10 0 ADAERN Cc1ccn([C@@H]2CCCC(=O)C2)n1 86603072 573512924 /nfs/dbraw/zinc/51/29/24/573512924.db2.gz XWDMHOICCBEUEV-SECBINFHSA-N 0 0 178.235 1.876 10 0 ADAERN C[C@@H]([NH3+])c1cc(F)ccc1CO 238422410 573512942 /nfs/dbraw/zinc/51/29/42/573512942.db2.gz AJUACVIVMUZGBY-ZCFIWIBFSA-N 0 0 169.199 1.338 10 0 ADAERN COc1c(C)ccc(C)c1CON 258050584 573512987 /nfs/dbraw/zinc/51/29/87/573512987.db2.gz RKIVOVYJOHPLLW-UHFFFAOYSA-N 0 0 181.235 1.702 10 0 ADAERN C[C@H](O)C1CCCC(=O)CCC1 238422363 573513203 /nfs/dbraw/zinc/51/32/03/573513203.db2.gz OFMKZZRQLYHLEA-QMMMGPOBSA-N 0 0 170.252 1.907 10 0 ADAERN CCSCCCC[C@@H](O)COC 130298714 573513012 /nfs/dbraw/zinc/51/30/12/573513012.db2.gz CEHWRCZYAIFSLT-SECBINFHSA-N 0 0 192.324 1.917 10 0 ADAERN Cn1cnc(-c2ccncc2)c1N 258724308 573513025 /nfs/dbraw/zinc/51/30/25/573513025.db2.gz YDHKSHPQXRCNND-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN COC(=O)[C@H](F)[C@H](O)c1ccccc1 257821873 573513069 /nfs/dbraw/zinc/51/30/69/573513069.db2.gz GBDRELUXCIXYNN-RKDXNWHRSA-N 0 0 198.193 1.231 10 0 ADAERN O[C@@H]1CCC[C@H](n2ccnc2)C1 86602828 573513075 /nfs/dbraw/zinc/51/30/75/573513075.db2.gz PFYNMJUIPSMLPU-DTWKUNHWSA-N 0 0 166.224 1.359 10 0 ADAERN CC(=O)N1C=CC(C)([C@@H](C)O)C=C1 238422999 573513076 /nfs/dbraw/zinc/51/30/76/573513076.db2.gz XXJNIRFPOXTPND-MRVPVSSYSA-N 0 0 181.235 1.263 10 0 ADAERN COC(=O)Cc1csc2nccn12 75268425 573513079 /nfs/dbraw/zinc/51/30/79/573513079.db2.gz RPSXKVAQSGMHNT-UHFFFAOYSA-N 0 0 196.231 1.111 10 0 ADAERN C[C@@H]1Nc2cccc(F)c2OC1=O 258404143 573513088 /nfs/dbraw/zinc/51/30/88/573513088.db2.gz CPTVCRUYDZQNRR-YFKPBYRVSA-N 0 0 181.166 1.545 10 0 ADAERN CC(C)CO[C@@H]1CCC[C@H](O)C1 86603515 573513089 /nfs/dbraw/zinc/51/30/89/573513089.db2.gz NFNWAXOQEPKNET-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@H](F)C1CCCCC1 257821864 573513093 /nfs/dbraw/zinc/51/30/93/573513093.db2.gz GBBSXOGXVFISQZ-SFYZADRCSA-N 0 0 189.230 1.317 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@@H](F)C1CCCCC1 257821862 573513115 /nfs/dbraw/zinc/51/31/15/573513115.db2.gz GBBSXOGXVFISQZ-JGVFFNPUSA-N 0 0 189.230 1.317 10 0 ADAERN CCn1nnc(C(C)C)c1C(=O)OC 259480696 573513116 /nfs/dbraw/zinc/51/31/16/573513116.db2.gz AFIUTNPMUOEKTN-UHFFFAOYSA-N 0 0 197.238 1.208 10 0 ADAERN COC(=O)CCC1=N[C@H]2CCC[C@@H]2O1 259482419 573513137 /nfs/dbraw/zinc/51/31/37/573513137.db2.gz AMTQANKIMRYLTC-YUMQZZPRSA-N 0 0 197.234 1.289 10 0 ADAERN C[C@H]1N[C@H](C)C(=O)N1C(C)(C)C1CC1 235611830 573513322 /nfs/dbraw/zinc/51/33/22/573513322.db2.gz WUSTVJHRSOCOAU-SFYZADRCSA-N 0 0 196.294 1.341 10 0 ADAERN CC(=O)[C@H](C)[C@H](O)C(F)(F)F 238422302 573513330 /nfs/dbraw/zinc/51/33/30/573513330.db2.gz BMGHATPLYPFVJU-UCORVYFPSA-N 0 0 170.130 1.135 10 0 ADAERN O=C1CCC[C@@H](OC[C@@H]2CCCO2)C1 86603240 573513345 /nfs/dbraw/zinc/51/33/45/573513345.db2.gz ZXFYKVATJXKWGG-MNOVXSKESA-N 0 0 198.262 1.694 10 0 ADAERN Cc1ncn([C@H]2CCC[C@H](O)C2)c1C 86603052 573513352 /nfs/dbraw/zinc/51/33/52/573513352.db2.gz DOUGFANODZXIAC-QWRGUYRKSA-N 0 0 194.278 1.976 10 0 ADAERN O=C([O-])C[C@@H]1CCCC[N@@H+]2CCC[C@@H]12 257823773 573513377 /nfs/dbraw/zinc/51/33/77/573513377.db2.gz GRJSXAHHGKQCHQ-UWVGGRQHSA-N 0 0 197.278 1.726 10 0 ADAERN Cc1ccccc1C1(CO)COC1 258724146 573513414 /nfs/dbraw/zinc/51/34/14/573513414.db2.gz ZXUAJQADDQCUMV-UHFFFAOYSA-N 0 0 178.231 1.255 10 0 ADAERN C[C@H](O)C1([C@@H](O)c2ccccc2)CC1 238422730 573513417 /nfs/dbraw/zinc/51/34/17/573513417.db2.gz CNLTUCIWXKDYRZ-ONGXEEELSA-N 0 0 192.258 1.881 10 0 ADAERN CC(C)C(=O)c1cncn1C 107325493 573513462 /nfs/dbraw/zinc/51/34/62/573513462.db2.gz QVJPDEKDIFUXME-UHFFFAOYSA-N 0 0 152.197 1.259 10 0 ADAERN C[C@@H](O)/C(Cl)=C(\Cl)[C@@H](C)O 238422139 573513482 /nfs/dbraw/zinc/51/34/82/573513482.db2.gz LXDWEIQMGCRTMZ-CJHBHYAASA-N 0 0 185.050 1.437 10 0 ADAERN CO[C@](C)(CO)c1ccccc1F 257823967 573513511 /nfs/dbraw/zinc/51/35/11/573513511.db2.gz GNEVSVJYGAEOAW-SNVBAGLBSA-N 0 0 184.210 1.680 10 0 ADAERN COc1c(Cl)ccc(N)c1N 238423379 573513524 /nfs/dbraw/zinc/51/35/24/573513524.db2.gz HETKUYQZLQEADD-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN Cc1cc2c(CON)cccc2[nH]1 258050841 573513528 /nfs/dbraw/zinc/51/35/28/573513528.db2.gz LDEGNIDPEOWYHG-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN Cc1nc(C)n([C@H]2CCC[C@@H](O)C2)n1 86603013 573513534 /nfs/dbraw/zinc/51/35/34/573513534.db2.gz QVPJWNIJTLKYEN-VHSXEESVSA-N 0 0 195.266 1.371 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2O[C@H]2C)cc1 238423038 573513543 /nfs/dbraw/zinc/51/35/43/573513543.db2.gz OSOTZQIJCDDFEI-GZMMTYOYSA-N 0 0 176.215 1.965 10 0 ADAERN CC(C)Cn1cnc(C=O)c1 107325649 573513552 /nfs/dbraw/zinc/51/35/52/573513552.db2.gz JWFZGZCMWRNEDN-UHFFFAOYSA-N 0 0 152.197 1.352 10 0 ADAERN COCc1cccc(CO)c1F 258050551 573513557 /nfs/dbraw/zinc/51/35/57/573513557.db2.gz RISRFTVCCBUIBL-UHFFFAOYSA-N 0 0 170.183 1.464 10 0 ADAERN COC(=O)CCC1=N[C@H]2CCC[C@H]2O1 259482417 573513559 /nfs/dbraw/zinc/51/35/59/573513559.db2.gz AMTQANKIMRYLTC-JGVFFNPUSA-N 0 0 197.234 1.289 10 0 ADAERN O=C([O-])C[C@H]1CCCC[N@@H+]2CCC[C@@H]12 257823775 573513564 /nfs/dbraw/zinc/51/35/64/573513564.db2.gz GRJSXAHHGKQCHQ-ZJUUUORDSA-N 0 0 197.278 1.726 10 0 ADAERN O=C1CCC[C@H](C(=O)C2CC2)C1 86603911 573513584 /nfs/dbraw/zinc/51/35/84/573513584.db2.gz KMWMOQJDKSZKCX-QMMMGPOBSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@H](O)C(n1cccc1)n1cccc1 238422217 573513588 /nfs/dbraw/zinc/51/35/88/573513588.db2.gz BBWDPJXMJUHLIV-SNVBAGLBSA-N 0 0 190.246 1.717 10 0 ADAERN O[C@@H]1CCC[C@@H](OCC2CC2)C1 86603601 573513589 /nfs/dbraw/zinc/51/35/89/573513589.db2.gz MWQUZVODAONMBN-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1[nH]c(NN)nc1-c1ccco1 258726538 573513738 /nfs/dbraw/zinc/51/37/38/573513738.db2.gz OZHLPOPYWBJPRA-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN C[C@@H](O)C1(C)CCC(=O)CC1 238423016 573513606 /nfs/dbraw/zinc/51/36/06/573513606.db2.gz MKXSFIMGDKWBMM-SSDOTTSWSA-N 0 0 156.225 1.517 10 0 ADAERN CNC(=O)NCc1ccc(C)c(C)c1 258727330 573513632 /nfs/dbraw/zinc/51/36/32/573513632.db2.gz QMNSCKKURRSSEV-UHFFFAOYSA-N 0 0 192.262 1.732 10 0 ADAERN Cc1[nH][nH]c(=O)c2cccc3ncc1-c32 78469845 573513740 /nfs/dbraw/zinc/51/37/40/573513740.db2.gz MZZQBPIMESVKGC-UHFFFAOYSA-N 0 0 199.213 1.713 10 0 ADAERN Oc1ccc(F)c2c1CCN2 107325824 573513636 /nfs/dbraw/zinc/51/36/36/573513636.db2.gz UTOIRYDOUZYRDP-UHFFFAOYSA-N 0 0 153.156 1.499 10 0 ADAERN CC(C)(C)n1[nH]c(=O)c2c1CCOC2 257821939 573513659 /nfs/dbraw/zinc/51/36/59/573513659.db2.gz GEAAPADYHLGZPV-UHFFFAOYSA-N 0 0 196.250 1.416 10 0 ADAERN C[C@H](O)[C@@H](F)C(C)(C)C 257823727 573513713 /nfs/dbraw/zinc/51/37/13/573513713.db2.gz FWJNIANJCXVZOA-NTSWFWBYSA-N 0 0 134.194 1.751 10 0 ADAERN CCO[C@@H]1C[C@@H]1COC(=O)C(C)C 308396942 573513761 /nfs/dbraw/zinc/51/37/61/573513761.db2.gz DWDFBHJILSRBHS-RKDXNWHRSA-N 0 0 186.251 1.611 10 0 ADAERN C[C@H]1Oc2ccccc2C(=O)[C@@H]1O 224225521 573515815 /nfs/dbraw/zinc/51/58/15/573515815.db2.gz MTNSHWMEMCGGAF-HZGVNTEJSA-N 0 0 178.187 1.011 10 0 ADAERN CCCC[N@H+](C)CC[C@H](C)C(=O)[O-] 258738364 573516728 /nfs/dbraw/zinc/51/67/28/573516728.db2.gz VWBHXWGQIXEJDA-VIFPVBQESA-N 0 0 187.283 1.829 10 0 ADAERN Cc1ccc(NCC(C)(C)O)c(N)c1 83461608 573517014 /nfs/dbraw/zinc/51/70/14/573517014.db2.gz KCJDKTPGQQYXJT-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1ncc2c(n1)[C@@H]([NH3+])CCC2 107328005 573517165 /nfs/dbraw/zinc/51/71/65/573517165.db2.gz XHXOUZFDKQIJGC-QMMMGPOBSA-N 0 0 163.224 1.121 10 0 ADAERN C[C@@H](O)C12CC3C[C@H]1[C@H]2C3 238423382 573514900 /nfs/dbraw/zinc/51/49/00/573514900.db2.gz RDJZQMDIJLCMKE-IKJCFBDHSA-N 0 0 138.210 1.413 10 0 ADAERN C[C@@H]1O[C@](C)(O)c2ccncc21 238423997 573516891 /nfs/dbraw/zinc/51/68/91/573516891.db2.gz FGHGTBSLHCGNSL-RCOVLWMOSA-N 0 0 165.192 1.338 10 0 ADAERN CC(=O)OC[C@H](C)C(C)C 33605918 573514942 /nfs/dbraw/zinc/51/49/42/573514942.db2.gz WFDGVYOPMMQGAR-ZETCQYMHSA-N 0 0 144.214 1.842 10 0 ADAERN COC(=O)c1nc2c[nH]cc(C)c-2n1 238422638 573514965 /nfs/dbraw/zinc/51/49/65/573514965.db2.gz ZABMXSVQUHJBIL-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN C[C@H]1CCC[C@H](O)OCC1 224239249 573514971 /nfs/dbraw/zinc/51/49/71/573514971.db2.gz QWUFIWUWGDQTNU-JGVFFNPUSA-N 0 0 144.214 1.532 10 0 ADAERN CC[C@@H](CCOC)Nc1ncccn1 308602853 573515025 /nfs/dbraw/zinc/51/50/25/573515025.db2.gz OUGYUHWJUGADAE-VIFPVBQESA-N 0 0 195.266 1.704 10 0 ADAERN CC(=O)OC[C@@H](C)C(C)C 33605919 573515035 /nfs/dbraw/zinc/51/50/35/573515035.db2.gz WFDGVYOPMMQGAR-SSDOTTSWSA-N 0 0 144.214 1.842 10 0 ADAERN O=C1CC[C@@H](OC[C@@H]2CCCO2)C1 86619304 573516896 /nfs/dbraw/zinc/51/68/96/573516896.db2.gz FRHDZWXARFRFMC-ZJUUUORDSA-N 0 0 184.235 1.304 10 0 ADAERN CCc1ccc(N(C)C(=O)C=O)cc1 258729111 573515054 /nfs/dbraw/zinc/51/50/54/573515054.db2.gz QVAZKSGXKUOQGL-UHFFFAOYSA-N 0 0 191.230 1.411 10 0 ADAERN C[C@@]12CCC(=O)[C@@H]1CC(=O)C2 238422528 573515056 /nfs/dbraw/zinc/51/50/56/573515056.db2.gz KCFHJBHUMDTGKN-CBAPKCEASA-N 0 0 152.193 1.335 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@@H](CC(=O)[O-])C1CC1 130187805 573515079 /nfs/dbraw/zinc/51/50/79/573515079.db2.gz DXUIIYXYCFRYQW-SCZZXKLOSA-N 0 0 197.278 1.724 10 0 ADAERN C[NH2+][C@H](C1CCCC1)[C@H]1C[C@H]1C(=O)[O-] 259485083 573515086 /nfs/dbraw/zinc/51/50/86/573515086.db2.gz QXLODSDXCNZUFY-IVZWLZJFSA-N 0 0 197.278 1.485 10 0 ADAERN CCCOc1ccnc(NCCF)n1 308603696 573515101 /nfs/dbraw/zinc/51/51/01/573515101.db2.gz VRNZRTAUXFYMQJ-UHFFFAOYSA-N 0 0 199.229 1.647 10 0 ADAERN Cc1nc(C(N)=O)[nH]c1CC(C)C 258500291 573515119 /nfs/dbraw/zinc/51/51/19/573515119.db2.gz DSVKOMYLJNYKMK-UHFFFAOYSA-N 0 0 181.239 1.016 10 0 ADAERN C=C/C(C)=C\C[C@@H](C)O 238422297 573515136 /nfs/dbraw/zinc/51/51/36/573515136.db2.gz HWXDCUCWGGXERX-GRKOMRHMSA-N 0 0 126.199 1.890 10 0 ADAERN Cc1ccc(N)cc1NCC(C)(C)O 83461551 573515144 /nfs/dbraw/zinc/51/51/44/573515144.db2.gz RZUSJUDULKGOSY-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN CNC(=O)N(C)c1sccc1C 258721370 573515145 /nfs/dbraw/zinc/51/51/45/573515145.db2.gz PTESPXQNZMAFSZ-UHFFFAOYSA-N 0 0 184.264 1.832 10 0 ADAERN CCC[C@@H](O)C/C=C/C[C@@H](C)O 238256234 573515149 /nfs/dbraw/zinc/51/51/49/573515149.db2.gz IIPGPHVRBSGPOG-NUNSBDKSSA-N 0 0 172.268 1.865 10 0 ADAERN C[C@@H]1O[C@H](O)Cc2ccccc21 238422227 573515166 /nfs/dbraw/zinc/51/51/66/573515166.db2.gz PBYVIHZLZCRHRN-XVKPBYJWSA-N 0 0 164.204 1.639 10 0 ADAERN O[C@H]1CCC[C@H](OCC2CC2)C1 86603602 573515170 /nfs/dbraw/zinc/51/51/70/573515170.db2.gz MWQUZVODAONMBN-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN C[NH2+][C@@H](C1CCCC1)C1(C(=O)[O-])CC1 259486500 573515184 /nfs/dbraw/zinc/51/51/84/573515184.db2.gz QYXOHENQGZCCRH-VIFPVBQESA-N 0 0 197.278 1.629 10 0 ADAERN Cc1ccc([C@H](C)[C@H](O)CO)c(O)c1 238423258 573515210 /nfs/dbraw/zinc/51/52/10/573515210.db2.gz HCYLPTRSDPAVLT-GZMMTYOYSA-N 0 0 196.246 1.157 10 0 ADAERN CC[C@@](C)(O)CNc1ccc(N)cn1 83461713 573515217 /nfs/dbraw/zinc/51/52/17/573515217.db2.gz GXDIOMZPZAGSHT-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN Cc1ccc2c(N)cc(=O)n(C)c2c1 259613919 573515221 /nfs/dbraw/zinc/51/52/21/573515221.db2.gz DUPDCVFRVADABY-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN O=C1CC[C@H](OC[C@@H]2CCOC2)C1 86619612 573516905 /nfs/dbraw/zinc/51/69/05/573516905.db2.gz HMPHQHDPSBFBAZ-SCZZXKLOSA-N 0 0 184.235 1.161 10 0 ADAERN COC(=O)N(C)CCc1cccnc1 258721471 573515257 /nfs/dbraw/zinc/51/52/57/573515257.db2.gz HZLLNMWKMFUJNV-UHFFFAOYSA-N 0 0 194.234 1.322 10 0 ADAERN C[C@@H](O)[C@@H](F)Cc1ccccc1O 257822681 573516909 /nfs/dbraw/zinc/51/69/09/573516909.db2.gz GDYKPMONHFFGPY-APPZFPTMSA-N 0 0 184.210 1.654 10 0 ADAERN Cc1ccn([C@H]2CCC[C@@H](O)C2)n1 86603181 573515319 /nfs/dbraw/zinc/51/53/19/573515319.db2.gz JYTIDBOMXBOZHD-VHSXEESVSA-N 0 0 180.251 1.668 10 0 ADAERN C[C@@H]1CCC[C@@H](O)OCC1 224239304 573515333 /nfs/dbraw/zinc/51/53/33/573515333.db2.gz QWUFIWUWGDQTNU-SFYZADRCSA-N 0 0 144.214 1.532 10 0 ADAERN C[C@H](O)C1([C@H](O)c2ccccc2)CC1 238422746 573515347 /nfs/dbraw/zinc/51/53/47/573515347.db2.gz CNLTUCIWXKDYRZ-GXSJLCMTSA-N 0 0 192.258 1.881 10 0 ADAERN O=C1CCC[C@@H](C(=O)C2CC2)C1 86603912 573515359 /nfs/dbraw/zinc/51/53/59/573515359.db2.gz KMWMOQJDKSZKCX-MRVPVSSYSA-N 0 0 166.220 1.725 10 0 ADAERN COC1=NCC(C(F)(F)F)=CC=N1 238423121 573515376 /nfs/dbraw/zinc/51/53/76/573515376.db2.gz AYTDAJVJYCEABW-UHFFFAOYSA-N 0 0 192.140 1.552 10 0 ADAERN [NH3+][C@H](/C=C/C(=O)[O-])c1ccccc1F 259484477 573515380 /nfs/dbraw/zinc/51/53/80/573515380.db2.gz PWZHBVLFXGMIEF-VUHVRTRXSA-N 0 0 195.193 1.466 10 0 ADAERN CSc1c(N)ccc2nonc12 224224283 573515394 /nfs/dbraw/zinc/51/53/94/573515394.db2.gz UPCUPLOCANRVOX-UHFFFAOYSA-N 0 0 181.220 1.527 10 0 ADAERN C[C@H]1CCC[C@@H](O)OCC1 224239364 573515402 /nfs/dbraw/zinc/51/54/02/573515402.db2.gz QWUFIWUWGDQTNU-YUMQZZPRSA-N 0 0 144.214 1.532 10 0 ADAERN Cc1nc(C)n([C@@H]2CCC[C@@H](O)C2)n1 86603011 573515407 /nfs/dbraw/zinc/51/54/07/573515407.db2.gz QVPJWNIJTLKYEN-NXEZZACHSA-N 0 0 195.266 1.371 10 0 ADAERN CC(=O)Nc1sc(C)cc1C(N)=O 75290882 573515433 /nfs/dbraw/zinc/51/54/33/573515433.db2.gz DPZNMECXWCFXSV-UHFFFAOYSA-N 0 0 198.247 1.114 10 0 ADAERN C[C@H]([NH3+])c1cc(O)ccc1C(=O)[O-] 238423238 573515460 /nfs/dbraw/zinc/51/54/60/573515460.db2.gz BACGBDZWKVODGL-YFKPBYRVSA-N 0 0 181.191 1.110 10 0 ADAERN COCCc1cc(C(C)=O)no1 258402093 573515461 /nfs/dbraw/zinc/51/54/61/573515461.db2.gz CGWZRSAIULNSPY-UHFFFAOYSA-N 0 0 169.180 1.066 10 0 ADAERN CC1=NC(=O)NC1c1ccco1 258500302 573515465 /nfs/dbraw/zinc/51/54/65/573515465.db2.gz DTELMOYMUOWOKF-UHFFFAOYSA-N 0 0 164.164 1.684 10 0 ADAERN O[C@@H]1CCCc2nc(C3CCC3)cn21 258721077 573515483 /nfs/dbraw/zinc/51/54/83/573515483.db2.gz YWQLKLBDQLRYRK-LLVKDONJSA-N 0 0 192.262 1.978 10 0 ADAERN C[C@H]1CCCO[C@H](O)CC1 224236375 573515550 /nfs/dbraw/zinc/51/55/50/573515550.db2.gz VXAIIZPWMDEIQA-YUMQZZPRSA-N 0 0 144.214 1.532 10 0 ADAERN COc1c(C(F)F)cnc(C)c1N 238422607 573515557 /nfs/dbraw/zinc/51/55/57/573515557.db2.gz HNLUBZDVOGQTNS-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CCn1nccc1CC(C)=O 107325467 573515574 /nfs/dbraw/zinc/51/55/74/573515574.db2.gz TZXZXWZNFNLQRQ-UHFFFAOYSA-N 0 0 152.197 1.035 10 0 ADAERN C[C@@H]([NH3+])c1cc(F)ccc1CC(=O)[O-] 238422397 573515602 /nfs/dbraw/zinc/51/56/02/573515602.db2.gz KNMZFRXMVUTRIF-ZCFIWIBFSA-N 0 0 197.209 1.473 10 0 ADAERN COC(=O)c1ncc2c(n1)CCCC2 238423119 573515610 /nfs/dbraw/zinc/51/56/10/573515610.db2.gz NENXGYZMDNHACS-UHFFFAOYSA-N 0 0 192.218 1.142 10 0 ADAERN CC[C@](C)(CO)CNc1cnccn1 308604926 573515614 /nfs/dbraw/zinc/51/56/14/573515614.db2.gz PIDGXCYTFSMGGR-JTQLQIEISA-N 0 0 195.266 1.297 10 0 ADAERN C[C@H](O)[C@H]1CCC(C)(C)O1 238423304 573515627 /nfs/dbraw/zinc/51/56/27/573515627.db2.gz QRILVKLIFZKBMT-NKWVEPMBSA-N 0 0 144.214 1.325 10 0 ADAERN Nc1[nH]cc(-c2cccc(CO)c2)[nH+]1 257822623 573518202 /nfs/dbraw/zinc/51/82/02/573518202.db2.gz GJNLGRLKXYCEKR-UHFFFAOYSA-N 0 0 189.218 1.151 10 0 ADAERN COC(=O)c1ncc(C2CC2)cc1F 238422945 573515635 /nfs/dbraw/zinc/51/56/35/573515635.db2.gz HWXTWQFJSNMKMA-UHFFFAOYSA-N 0 0 195.193 1.885 10 0 ADAERN COc1cc([C@H](N)C(F)(F)F)co1 238423000 573515644 /nfs/dbraw/zinc/51/56/44/573515644.db2.gz BOVMAEYFWGVSRU-LURJTMIESA-N 0 0 195.140 1.850 10 0 ADAERN Cc1cnn([C@@H]2CCCC(=O)C2)c1 86601613 573515650 /nfs/dbraw/zinc/51/56/50/573515650.db2.gz FQGYSGVUISVGFZ-SECBINFHSA-N 0 0 178.235 1.876 10 0 ADAERN CC(C)(C)n1cnc(C=O)c1 107325651 573515698 /nfs/dbraw/zinc/51/56/98/573515698.db2.gz DGRLDYOOGKBUAD-UHFFFAOYSA-N 0 0 152.197 1.451 10 0 ADAERN CCOC(=O)[C@H](C)NCCC1(C)CC1 308605573 573515747 /nfs/dbraw/zinc/51/57/47/573515747.db2.gz PMYQUBVVVMLWCW-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN C[C@@H](O)C1(C)SCCS1 238423139 573515769 /nfs/dbraw/zinc/51/57/69/573515769.db2.gz MHNHRLDFPXARKT-RXMQYKEDSA-N 0 0 164.295 1.563 10 0 ADAERN COC(=O)c1nc2cnccc2o1 238422658 573515775 /nfs/dbraw/zinc/51/57/75/573515775.db2.gz CDYPJTNLXGFCQI-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN O[C@@H]1CCC[C@@H](n2ccnc2)C1 86602826 573515779 /nfs/dbraw/zinc/51/57/79/573515779.db2.gz PFYNMJUIPSMLPU-RKDXNWHRSA-N 0 0 166.224 1.359 10 0 ADAERN Cc1nc([C@@H]2CSCCN2)c(C)o1 257822872 573518217 /nfs/dbraw/zinc/51/82/17/573518217.db2.gz DWIGFAWTEJARLN-QMMMGPOBSA-N 0 0 198.291 1.669 10 0 ADAERN CC(C)C(=O)c1cn(C)cn1 107325488 573515848 /nfs/dbraw/zinc/51/58/48/573515848.db2.gz NKSWRTYMIIPNNU-UHFFFAOYSA-N 0 0 152.197 1.259 10 0 ADAERN Nc1ccc(O)cc1C[C@H]1CCOC1 257822519 573515863 /nfs/dbraw/zinc/51/58/63/573515863.db2.gz GHNQAXJJRRMMQY-MRVPVSSYSA-N 0 0 193.246 1.553 10 0 ADAERN C/C(=C\Cl)[C@@H](C)O 238422036 573515869 /nfs/dbraw/zinc/51/58/69/573515869.db2.gz MAEOSULHNZJFKV-QLSVQJPWSA-N 0 0 120.579 1.510 10 0 ADAERN O=C1C[C@@H]2C(=O)[C@@H]3C=CC[C@@H]3[C@@H]2C1 224224751 573515873 /nfs/dbraw/zinc/51/58/73/573515873.db2.gz IQIILAPQRWGZNO-JXUBOQSCSA-N 0 0 176.215 1.357 10 0 ADAERN Cc1nc2c(s1)CCCN2 107326309 573515877 /nfs/dbraw/zinc/51/58/77/573515877.db2.gz NYVPHDKPHMFFGD-UHFFFAOYSA-N 0 0 154.238 1.810 10 0 ADAERN OCC[C@H]1CNc2c(F)cccc2C1 257822481 573515878 /nfs/dbraw/zinc/51/58/78/573515878.db2.gz GGUXHTODYRCDJX-MRVPVSSYSA-N 0 0 195.237 1.792 10 0 ADAERN C[C@@H]1N=C(c2ccccc2)N[C@H](C)N1 238422088 573515914 /nfs/dbraw/zinc/51/59/14/573515914.db2.gz JBXCAFDCBJWIHG-DTORHVGOSA-N 0 0 189.262 1.318 10 0 ADAERN CC(C)(O)CNc1cc(N)cc(F)c1 83461472 573515930 /nfs/dbraw/zinc/51/59/30/573515930.db2.gz RDVRUVPUEOHCMR-UHFFFAOYSA-N 0 0 198.241 1.591 10 0 ADAERN COC(=O)c1nc2sccn2c1C 238422890 573515931 /nfs/dbraw/zinc/51/59/31/573515931.db2.gz NTLQGGHWXQYGJJ-UHFFFAOYSA-N 0 0 196.231 1.491 10 0 ADAERN Cc1nc(C[NH3+])c2cccc(O)c2n1 257822515 573515938 /nfs/dbraw/zinc/51/59/38/573515938.db2.gz GHLFUAUKDBKXAU-UHFFFAOYSA-N 0 0 189.218 1.103 10 0 ADAERN CC(=O)[C@@]1(C)CCC[C@@H](C)C1=O 238423070 573515947 /nfs/dbraw/zinc/51/59/47/573515947.db2.gz WCDVFMNTMQTMJG-GMSGAONNSA-N 0 0 168.236 1.971 10 0 ADAERN COC(=O)NCC(C)(C)c1ccc[nH]1 258734543 573515986 /nfs/dbraw/zinc/51/59/86/573515986.db2.gz JFDHZMTUTPCXBM-UHFFFAOYSA-N 0 0 196.250 1.648 10 0 ADAERN CC1=CC[C@H]([C@H](C)O)C1 238423041 573515987 /nfs/dbraw/zinc/51/59/87/573515987.db2.gz RIDHYPAFMJDTMB-YUMQZZPRSA-N 0 0 126.199 1.724 10 0 ADAERN CCc1ncc(CC(=O)OC)n1CC 259484772 573516049 /nfs/dbraw/zinc/51/60/49/573516049.db2.gz APCZDMKLPYPEOG-UHFFFAOYSA-N 0 0 196.250 1.181 10 0 ADAERN Cc1ccsc1CN(C)C(=O)C=O 258734376 573516060 /nfs/dbraw/zinc/51/60/60/573516060.db2.gz RJESTAJIUPXPHI-UHFFFAOYSA-N 0 0 197.259 1.214 10 0 ADAERN CC(C)(O)CNc1ccc(F)cc1N 83461509 573516090 /nfs/dbraw/zinc/51/60/90/573516090.db2.gz RHHFSSBXWXUDDA-UHFFFAOYSA-N 0 0 198.241 1.591 10 0 ADAERN C[NH2+][C@H](C1CCCC1)[C@H]1C[C@@H]1C(=O)[O-] 259485090 573516106 /nfs/dbraw/zinc/51/61/06/573516106.db2.gz QXLODSDXCNZUFY-LPEHRKFASA-N 0 0 197.278 1.485 10 0 ADAERN C[C@H](O)C1(O[C@@H]2CCCCO2)CC1 238422693 573516108 /nfs/dbraw/zinc/51/61/08/573516108.db2.gz ULOSRRQYXYKCKQ-DTWKUNHWSA-N 0 0 186.251 1.443 10 0 ADAERN C[C@H](O)C1=NCc2ccccc2N1 238423213 573516124 /nfs/dbraw/zinc/51/61/24/573516124.db2.gz HVVFRALYIKIKSM-ZETCQYMHSA-N 0 0 176.219 1.201 10 0 ADAERN CCOC(=O)c1oncc1C1CC1 259486220 573516153 /nfs/dbraw/zinc/51/61/53/573516153.db2.gz RVLZLSOJIULKSO-UHFFFAOYSA-N 0 0 181.191 1.729 10 0 ADAERN C[C@H](O)[C@@H]1C=C=CC=C1 238422594 573516156 /nfs/dbraw/zinc/51/61/56/573516156.db2.gz IWXXIVVWDJRHAS-YUMQZZPRSA-N 0 0 122.167 1.265 10 0 ADAERN COc1c(C(F)F)ncc(F)c1N 238423138 573516168 /nfs/dbraw/zinc/51/61/68/573516168.db2.gz HEGAFQDFVYPYQL-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CCN1C(=O)CNc2c(O)cccc21 258402187 573516179 /nfs/dbraw/zinc/51/61/79/573516179.db2.gz CHVGJYDCUAIJDC-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN OCC[C@H]1CCc2cc(O)ccc2N1 257823072 573516184 /nfs/dbraw/zinc/51/61/84/573516184.db2.gz GKYDUTNECLWOHO-SECBINFHSA-N 0 0 193.246 1.501 10 0 ADAERN C[C@H](O)C1C=CCCC=C1 238422286 573516188 /nfs/dbraw/zinc/51/61/88/573516188.db2.gz UJYFUQAYBAPPNV-QMMMGPOBSA-N 0 0 138.210 1.890 10 0 ADAERN C[C@@H](c1ccc(C(=O)[O-])[nH]1)[NH+](C)C 257822725 573516235 /nfs/dbraw/zinc/51/62/35/573516235.db2.gz GGWZKFMMKTWUMM-LURJTMIESA-N 0 0 182.223 1.336 10 0 ADAERN NO[C@@H](CO)c1ccc(Cl)cc1 257823133 573516248 /nfs/dbraw/zinc/51/62/48/573516248.db2.gz GMRLOBSRFJWPRF-QMMMGPOBSA-N 0 0 187.626 1.264 10 0 ADAERN O=COC[C@H]1CC=CCC1 33605679 573516261 /nfs/dbraw/zinc/51/62/61/573516261.db2.gz ZICOSWDVLGBUAZ-QMMMGPOBSA-N 0 0 140.182 1.516 10 0 ADAERN Cc1ccc(CCCO)cc1N(C)C 259483746 573516715 /nfs/dbraw/zinc/51/67/15/573516715.db2.gz PGPKMXUDQQANKN-UHFFFAOYSA-N 0 0 193.290 1.986 10 0 ADAERN COC(=O)c1c(C(C)C)cnn1C 259486324 573516268 /nfs/dbraw/zinc/51/62/68/573516268.db2.gz RXUAUILZYACJGW-UHFFFAOYSA-N 0 0 182.223 1.330 10 0 ADAERN CC(C)(O)CNc1cccc(N)c1 83461593 573516286 /nfs/dbraw/zinc/51/62/86/573516286.db2.gz RSLWTNQUCVAOLD-UHFFFAOYSA-N 0 0 180.251 1.452 10 0 ADAERN Cc1cn(-c2ccc(F)cn2)nc1N 78528633 573516297 /nfs/dbraw/zinc/51/62/97/573516297.db2.gz AUSMIEYWHSKXJF-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC(=O)S/C=C/C[C@@H](C)O 238422566 573516305 /nfs/dbraw/zinc/51/63/05/573516305.db2.gz QHRNPUZUKOHWIH-MXTDHUQFSA-N 0 0 160.238 1.551 10 0 ADAERN Cc1ccccc1/C=C/[C@H]([NH3+])C(=O)[O-] 257823146 573516316 /nfs/dbraw/zinc/51/63/16/573516316.db2.gz GNEHURCLXZMBBP-FGEFZZPRSA-N 0 0 191.230 1.420 10 0 ADAERN OC[C@H]1CCCn2cc(C3CC3)nc21 258737839 573518244 /nfs/dbraw/zinc/51/82/44/573518244.db2.gz ZHJGGYZQGXLRJM-SECBINFHSA-N 0 0 192.262 1.630 10 0 ADAERN CCC(=O)Nc1cn2ccccc2n1 75302230 573516363 /nfs/dbraw/zinc/51/63/63/573516363.db2.gz MZXRHWDHAMRZEL-UHFFFAOYSA-N 0 0 189.218 1.683 10 0 ADAERN CC(C)CO[C@@H]1CCC(=O)C1 86619315 573516386 /nfs/dbraw/zinc/51/63/86/573516386.db2.gz HLWJRRGHZHSUPO-SECBINFHSA-N 0 0 156.225 1.781 10 0 ADAERN C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H]1C(=O)[O-] 257823312 573516406 /nfs/dbraw/zinc/51/64/06/573516406.db2.gz GJGNZLPWLHTBOO-JGVFFNPUSA-N 0 0 185.267 1.437 10 0 ADAERN CC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 258740369 573516412 /nfs/dbraw/zinc/51/64/12/573516412.db2.gz WBXFUZYBBVAMDX-BIIVOSGPSA-N 0 0 171.240 1.095 10 0 ADAERN NNCNc1ccccc1Cl 258733838 573516420 /nfs/dbraw/zinc/51/64/20/573516420.db2.gz VKPCGXBDFAABHX-UHFFFAOYSA-N 0 0 171.631 1.173 10 0 ADAERN C[C@@]1(c2ccc(O)cc2)CC(=O)CN1 258738011 573516443 /nfs/dbraw/zinc/51/64/43/573516443.db2.gz CBXUAIDJJWPDLB-NSHDSACASA-N 0 0 191.230 1.170 10 0 ADAERN CCCCO[C@@H]1CCC(=O)C1 86619499 573516445 /nfs/dbraw/zinc/51/64/45/573516445.db2.gz VLEREOIGSMVNGH-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN CC[C@@](C)(O)CNc1ccccc1N 83461637 573516461 /nfs/dbraw/zinc/51/64/61/573516461.db2.gz HFGVQAYAVCZVAD-LLVKDONJSA-N 0 0 194.278 1.842 10 0 ADAERN CC[C@@](C)(O)CNc1ccc(N)nc1 83461694 573516483 /nfs/dbraw/zinc/51/64/83/573516483.db2.gz ZJZZUMZGYSRRLN-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN CC(C)(CNC(=O)S)c1ccc[nH]1 258732852 573516484 /nfs/dbraw/zinc/51/64/84/573516484.db2.gz RDRKVDTYNSLIMG-UHFFFAOYSA-N 0 0 198.291 1.932 10 0 ADAERN [NH3+][C@@H](/C=C/C(=O)[O-])c1ccccc1F 259484476 573516512 /nfs/dbraw/zinc/51/65/12/573516512.db2.gz PWZHBVLFXGMIEF-CYNONHLPSA-N 0 0 195.193 1.466 10 0 ADAERN Cc1cc(CCO)cs1 83452717 573516526 /nfs/dbraw/zinc/51/65/26/573516526.db2.gz LQICZTCPTFVKIV-UHFFFAOYSA-N 0 0 142.223 1.591 10 0 ADAERN COc1cccc2c1NC(=O)N[C@H]2C 257823063 573516551 /nfs/dbraw/zinc/51/65/51/573516551.db2.gz GKTHFPRETLUORY-LURJTMIESA-N 0 0 192.218 1.891 10 0 ADAERN CCc1nnn(C2CCCCC2)c1N 257822582 573516581 /nfs/dbraw/zinc/51/65/81/573516581.db2.gz GIXBZBOHSXHXAY-UHFFFAOYSA-N 0 0 194.282 1.928 10 0 ADAERN CC(=O)CCCCn1ccncc1=O 308604927 573516582 /nfs/dbraw/zinc/51/65/82/573516582.db2.gz WDKGBYNQDPFUMK-UHFFFAOYSA-N 0 0 194.234 1.003 10 0 ADAERN CCOC(=O)[C@@H](C)NCCC1(C)CC1 308605572 573516587 /nfs/dbraw/zinc/51/65/87/573516587.db2.gz PMYQUBVVVMLWCW-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN COCNc1ccccc1C(=O)OC 258738258 573516599 /nfs/dbraw/zinc/51/65/99/573516599.db2.gz VUMFRDKJCFXRNZ-UHFFFAOYSA-N 0 0 195.218 1.489 10 0 ADAERN CN(C)[C@@H](N)c1coc2ccccc12 259483973 573516608 /nfs/dbraw/zinc/51/66/08/573516608.db2.gz KUEVATUJXAEMBK-LLVKDONJSA-N 0 0 190.246 1.952 10 0 ADAERN CC[C@@H]([NH+](C)C)C1(C(=O)[O-])CC1 259483856 573516651 /nfs/dbraw/zinc/51/66/51/573516651.db2.gz KTEYGOBDCFVNFU-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@]1(O)CCNc2c(O)cccc21 257824064 573516737 /nfs/dbraw/zinc/51/67/37/573516737.db2.gz GRBHMDWEZXUCGF-JTQLQIEISA-N 0 0 179.219 1.415 10 0 ADAERN C[C@H]1CCCO[C@@H](O)CC1 224236478 573516756 /nfs/dbraw/zinc/51/67/56/573516756.db2.gz VXAIIZPWMDEIQA-JGVFFNPUSA-N 0 0 144.214 1.532 10 0 ADAERN O=C1CC[C@@H](OCc2ccco2)C1 86619621 573516761 /nfs/dbraw/zinc/51/67/61/573516761.db2.gz IBTCWZFDAHNNQF-SECBINFHSA-N 0 0 180.203 1.918 10 0 ADAERN Cc1c(N)cccc1NCC(C)(C)O 83461475 573516770 /nfs/dbraw/zinc/51/67/70/573516770.db2.gz ORTQDOVFADYHLK-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN CNC(=O)c1cn2c(C)csc2n1 75303925 573516797 /nfs/dbraw/zinc/51/67/97/573516797.db2.gz HGRSXMLULZBFSV-UHFFFAOYSA-N 0 0 195.247 1.064 10 0 ADAERN COCC[C@@H](C)N[C@H](C)c1ncon1 308602824 573516848 /nfs/dbraw/zinc/51/68/48/573516848.db2.gz OTNSLYIETZMBBX-HTQZYQBOSA-N 0 0 199.254 1.145 10 0 ADAERN COc1cc(O)c2cc[nH]c2c1 107327788 573516862 /nfs/dbraw/zinc/51/68/62/573516862.db2.gz IQHBBMQEQUBIMR-UHFFFAOYSA-N 0 0 163.176 1.882 10 0 ADAERN NO[C@H](CO)c1ccc(Cl)cc1 257823132 573516868 /nfs/dbraw/zinc/51/68/68/573516868.db2.gz GMRLOBSRFJWPRF-MRVPVSSYSA-N 0 0 187.626 1.264 10 0 ADAERN Cc1cc(C)n([C@H]2CCC(=O)C2)n1 86618802 573516930 /nfs/dbraw/zinc/51/69/30/573516930.db2.gz IVKBJXBFYPQSID-VIFPVBQESA-N 0 0 178.235 1.794 10 0 ADAERN CSc1cc(C(F)F)nc(N)n1 257822522 573516939 /nfs/dbraw/zinc/51/69/39/573516939.db2.gz GHOCKFMEQUOHHX-UHFFFAOYSA-N 0 0 191.206 1.718 10 0 ADAERN CCOc1nc(C=O)cs1 107326808 573516998 /nfs/dbraw/zinc/51/69/98/573516998.db2.gz BWEFVGANEULPKL-UHFFFAOYSA-N 0 0 157.194 1.354 10 0 ADAERN C[C@H]([NH3+])c1onc2c(F)cccc12 257822704 573517004 /nfs/dbraw/zinc/51/70/04/573517004.db2.gz GFPVWUHWIYOPTH-YFKPBYRVSA-N 0 0 180.182 1.987 10 0 ADAERN C[C@H](O)[C@H](F)Cc1ccccc1O 257822683 573517017 /nfs/dbraw/zinc/51/70/17/573517017.db2.gz GDYKPMONHFFGPY-IONNQARKSA-N 0 0 184.210 1.654 10 0 ADAERN OCCc1ccncc1C(F)(F)F 257822543 573517031 /nfs/dbraw/zinc/51/70/31/573517031.db2.gz GHYQMXIJSFMKPV-UHFFFAOYSA-N 0 0 191.152 1.635 10 0 ADAERN COCCN1CC(=O)CCC1(C)C 259484773 573517032 /nfs/dbraw/zinc/51/70/32/573517032.db2.gz RPYBCFZVWQBNIY-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN CCc1c2cc(C=O)ccc2nn1C 257822615 573517035 /nfs/dbraw/zinc/51/70/35/573517035.db2.gz GJKTVMOVNQMCER-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN COc1nccc(C=O)c1C(F)F 238424422 573517039 /nfs/dbraw/zinc/51/70/39/573517039.db2.gz NMEYRXWFRIQPJJ-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN COc1cc(O)c2c(c1)NCC2 107328610 573517066 /nfs/dbraw/zinc/51/70/66/573517066.db2.gz PBZDGCCLTBNCNK-UHFFFAOYSA-N 0 0 165.192 1.369 10 0 ADAERN COc1c(N)cc(C(F)F)[nH]c1=O 238424259 573517071 /nfs/dbraw/zinc/51/70/71/573517071.db2.gz LYAYEQMILISCBQ-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COCC[C@H](C)N[C@@H](C)c1ncon1 308602827 573517105 /nfs/dbraw/zinc/51/71/05/573517105.db2.gz OTNSLYIETZMBBX-YUMQZZPRSA-N 0 0 199.254 1.145 10 0 ADAERN CC(=O)c1cc(C(C)C)ncn1 107328171 573517108 /nfs/dbraw/zinc/51/71/08/573517108.db2.gz HOSXUAYXZSEWJO-UHFFFAOYSA-N 0 0 164.208 1.803 10 0 ADAERN CC(C)(O)CNc1cccc(F)c1N 83461470 573517112 /nfs/dbraw/zinc/51/71/12/573517112.db2.gz OJKRLIBMDDQXOU-UHFFFAOYSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@@]12CCC=C[C@@]1(O)CCC2=O 238424757 573517113 /nfs/dbraw/zinc/51/71/13/573517113.db2.gz OCJSERHJVSQJBB-VHSXEESVSA-N 0 0 166.220 1.437 10 0 ADAERN C[C@@H]1CCC[C@H](O)OCC1 224239202 573517154 /nfs/dbraw/zinc/51/71/54/573517154.db2.gz QWUFIWUWGDQTNU-HTQZYQBOSA-N 0 0 144.214 1.532 10 0 ADAERN CSc1cc2nonc2cc1N 224223558 573517177 /nfs/dbraw/zinc/51/71/77/573517177.db2.gz QANGHCFCTCKUPN-UHFFFAOYSA-N 0 0 181.220 1.527 10 0 ADAERN C[C@](F)(C[NH3+])C1=CCSCC1 257822706 573517193 /nfs/dbraw/zinc/51/71/93/573517193.db2.gz GFVYDZNOAUELLC-QMMMGPOBSA-N 0 0 175.272 1.737 10 0 ADAERN CCCCO[C@H]1CCC(=O)C1 86619500 573517220 /nfs/dbraw/zinc/51/72/20/573517220.db2.gz VLEREOIGSMVNGH-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN C[C@H](O)[C@H]1CCCCCC(=O)S1 238423862 573517223 /nfs/dbraw/zinc/51/72/23/573517223.db2.gz FJTDZNYVLPZDDZ-JGVFFNPUSA-N 0 0 188.292 1.960 10 0 ADAERN OCC[C@@H]1CCc2cc(O)ccc2N1 257823074 573517225 /nfs/dbraw/zinc/51/72/25/573517225.db2.gz GKYDUTNECLWOHO-VIFPVBQESA-N 0 0 193.246 1.501 10 0 ADAERN C[C@]1(c2ccc(O)cc2)CC(=O)CN1 258738006 573517253 /nfs/dbraw/zinc/51/72/53/573517253.db2.gz CBXUAIDJJWPDLB-LLVKDONJSA-N 0 0 191.230 1.170 10 0 ADAERN C[NH2+][C@H](C1CCCC1)[C@@H]1C[C@H]1C(=O)[O-] 259485093 573517261 /nfs/dbraw/zinc/51/72/61/573517261.db2.gz QXLODSDXCNZUFY-OPRDCNLKSA-N 0 0 197.278 1.485 10 0 ADAERN COCC[C@H](C)N[C@H](C)c1ncon1 308602825 573517262 /nfs/dbraw/zinc/51/72/62/573517262.db2.gz OTNSLYIETZMBBX-JGVFFNPUSA-N 0 0 199.254 1.145 10 0 ADAERN CN(C)[C@H](N)c1coc2ccccc12 259483975 573517277 /nfs/dbraw/zinc/51/72/77/573517277.db2.gz KUEVATUJXAEMBK-NSHDSACASA-N 0 0 190.246 1.952 10 0 ADAERN C[C@@H]1CC(CO)=CCCC1=O 238423906 573517307 /nfs/dbraw/zinc/51/73/07/573517307.db2.gz JRMFZQDIDCBISO-SSDOTTSWSA-N 0 0 154.209 1.294 10 0 ADAERN COc1ccc2c(c1O)CCN2 107328614 573517308 /nfs/dbraw/zinc/51/73/08/573517308.db2.gz YBKOMMPVKTUCTJ-UHFFFAOYSA-N 0 0 165.192 1.369 10 0 ADAERN CCn1ncnc1C(=O)CC1CCC1 308604950 573517327 /nfs/dbraw/zinc/51/73/27/573517327.db2.gz WDUPARKKBFVTRW-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN C[C@@H]1CC(O)C[C@@H](C)C1CO 238424748 573517328 /nfs/dbraw/zinc/51/73/28/573517328.db2.gz WVZYXVOUDZQBBI-PZYMCFGQSA-N 0 0 158.241 1.022 10 0 ADAERN COC(=O)c1c[nH]c(C(=O)C(C)C)c1 259613952 573517385 /nfs/dbraw/zinc/51/73/85/573517385.db2.gz FBVHTRAOSZRHFW-UHFFFAOYSA-N 0 0 195.218 1.640 10 0 ADAERN CC[C@](C)(O)CNc1cccc(N)c1 83461785 573517390 /nfs/dbraw/zinc/51/73/90/573517390.db2.gz RQCKKGMWTQTXFY-NSHDSACASA-N 0 0 194.278 1.842 10 0 ADAERN C[C@@H]1O[C@]12CCCCC2=O 238424411 573517404 /nfs/dbraw/zinc/51/74/04/573517404.db2.gz FWXROCUBJDIKQX-POYBYMJQSA-N 0 0 140.182 1.287 10 0 ADAERN CC(C)([NH2+]CCc1cc[nH]c1)C(=O)[O-] 258739457 573517407 /nfs/dbraw/zinc/51/74/07/573517407.db2.gz HRJYGXFTSUGSJB-UHFFFAOYSA-N 0 0 196.250 1.010 10 0 ADAERN C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H]1C(=O)[O-] 257823310 573517413 /nfs/dbraw/zinc/51/74/13/573517413.db2.gz GJGNZLPWLHTBOO-HTQZYQBOSA-N 0 0 185.267 1.437 10 0 ADAERN OCC[C@@H]1CNc2c(F)cccc2C1 257822483 573518277 /nfs/dbraw/zinc/51/82/77/573518277.db2.gz GGUXHTODYRCDJX-QMMMGPOBSA-N 0 0 195.237 1.792 10 0 ADAERN CC(=O)[C@H](C)[C@H](O)c1ccncc1 238424149 573517438 /nfs/dbraw/zinc/51/74/38/573517438.db2.gz MRWVXWXQHMJOBQ-XVKPBYJWSA-N 0 0 179.219 1.340 10 0 ADAERN CO[C@@]1(C)C(=O)[C@H]2C=CC=C[C@@H]1C2 238424395 573517465 /nfs/dbraw/zinc/51/74/65/573517465.db2.gz AWXLCINLTYVCMV-IQJOONFLSA-N 0 0 178.231 1.723 10 0 ADAERN C[C@@H](CC[NH2+]Cc1ccco1)C(=O)[O-] 258733864 573517466 /nfs/dbraw/zinc/51/74/66/573517466.db2.gz VLIABAWQDCHVCM-QMMMGPOBSA-N 0 0 197.234 1.480 10 0 ADAERN [NH3+][C@@H]1CCc2nc(C3CC3)oc21 107328379 573517521 /nfs/dbraw/zinc/51/75/21/573517521.db2.gz LYFAKFRCPQMMMM-ZCFIWIBFSA-N 0 0 164.208 1.498 10 0 ADAERN Cc1ccn([C@@H]2CCC(=O)C2)n1 86619257 573517522 /nfs/dbraw/zinc/51/75/22/573517522.db2.gz SAWYXUGEWFOLOV-MRVPVSSYSA-N 0 0 164.208 1.486 10 0 ADAERN COCNc1cccc(C(C)=O)c1 258738337 573517525 /nfs/dbraw/zinc/51/75/25/573517525.db2.gz VVRMKFWRKSFCBO-UHFFFAOYSA-N 0 0 179.219 1.905 10 0 ADAERN O=C1CCc2c1ncn2C1CC1 107327622 573517560 /nfs/dbraw/zinc/51/75/60/573517560.db2.gz CFFIIJANQHMSFW-UHFFFAOYSA-N 0 0 162.192 1.347 10 0 ADAERN CN(Cc1cc[nH]c1)C(=O)S 258738740 573517562 /nfs/dbraw/zinc/51/75/62/573517562.db2.gz RZZRFKNQQNIJMC-UHFFFAOYSA-N 0 0 170.237 1.496 10 0 ADAERN CCc1ccc(N)c(=O)n1C1CCC1 257823143 573517596 /nfs/dbraw/zinc/51/75/96/573517596.db2.gz GNCAKZAZLYFFPM-UHFFFAOYSA-N 0 0 192.262 1.718 10 0 ADAERN CC(C)Cc1ccnc(C=O)n1 107328217 573517602 /nfs/dbraw/zinc/51/76/02/573517602.db2.gz FZQGBXHGVACGOY-UHFFFAOYSA-N 0 0 164.208 1.488 10 0 ADAERN C[C@@H]1O[C@H]1/C=C/Br 238423680 573517615 /nfs/dbraw/zinc/51/76/15/573517615.db2.gz ONEFUUSVGLGVDR-PREYNSRTSA-N 0 0 163.014 1.682 10 0 ADAERN CCc1n[nH]c2c(C=O)cccc12 257822745 573517619 /nfs/dbraw/zinc/51/76/19/573517619.db2.gz GHWRVBRLAJOESI-UHFFFAOYSA-N 0 0 174.203 1.938 10 0 ADAERN Nc1ccccc1-c1cocn1 107327062 573517620 /nfs/dbraw/zinc/51/76/20/573517620.db2.gz XACVPNWDHCBOCN-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN O=C1CC[C@H](OC[C@H]2CCCO2)C1 86619305 573517672 /nfs/dbraw/zinc/51/76/72/573517672.db2.gz FRHDZWXARFRFMC-VHSXEESVSA-N 0 0 184.235 1.304 10 0 ADAERN O=C1CC[C@H](n2ccnc2)C1 86618788 573517683 /nfs/dbraw/zinc/51/76/83/573517683.db2.gz DNDZDTFMQOQYCQ-ZETCQYMHSA-N 0 0 150.181 1.177 10 0 ADAERN CN(CC(F)(F)F)[C@@H]1CCC(=O)C1 86617908 573517712 /nfs/dbraw/zinc/51/77/12/573517712.db2.gz UHPGRKLOKJELDG-ZCFIWIBFSA-N 0 0 195.184 1.602 10 0 ADAERN CC(C)=CC[C@H](CO)C(C)(C)O 33605677 573517732 /nfs/dbraw/zinc/51/77/32/573517732.db2.gz QMOAXOFWWFUAKB-SECBINFHSA-N 0 0 172.268 1.722 10 0 ADAERN COc1c(C(F)F)ncc(N)c1N 238423415 573517733 /nfs/dbraw/zinc/51/77/33/573517733.db2.gz UYNPTORQTTVXEV-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN C[C@@H]1CCC[C@](C)(CO)[C@@H]1CCO 238423576 573517770 /nfs/dbraw/zinc/51/77/70/573517770.db2.gz PMYFQZSWPYYEQT-GMTAPVOTSA-N 0 0 186.295 1.804 10 0 ADAERN CC(=O)[C@H]1CCCc2ccnn21 107328331 573517778 /nfs/dbraw/zinc/51/77/78/573517778.db2.gz SAVYNTKZKHRYTF-SECBINFHSA-N 0 0 164.208 1.350 10 0 ADAERN OC/C=C/[C@H](O)CCC[C@H]1C=CCO1 308605079 573517788 /nfs/dbraw/zinc/51/77/88/573517788.db2.gz WFVSTCFMAVCSMU-UJYZRXPGSA-N 0 0 198.262 1.021 10 0 ADAERN Cc1ncn([C@H]2CCC(=O)C2)c1C 86619168 573517794 /nfs/dbraw/zinc/51/77/94/573517794.db2.gz QAPHWWTZPSPZJV-VIFPVBQESA-N 0 0 178.235 1.794 10 0 ADAERN OCc1nc([C@H]2CCCSC2)co1 258046559 573517811 /nfs/dbraw/zinc/51/78/11/573517811.db2.gz JRPKOEPELVSSAL-ZETCQYMHSA-N 0 0 199.275 1.778 10 0 ADAERN CC[C@H](CCOC)Nc1ncccn1 308602852 573517820 /nfs/dbraw/zinc/51/78/20/573517820.db2.gz OUGYUHWJUGADAE-SECBINFHSA-N 0 0 195.266 1.704 10 0 ADAERN CC1(C)CC(=O)c2n[nH]cc2C1 107328386 573517846 /nfs/dbraw/zinc/51/78/46/573517846.db2.gz FEOFUGADYBIYNR-UHFFFAOYSA-N 0 0 164.208 1.565 10 0 ADAERN CC(=O)Oc1ccc2c(c1)O[C@H](C)N2 238424610 573517858 /nfs/dbraw/zinc/51/78/58/573517858.db2.gz LCAKKXHXAHDCAQ-ZCFIWIBFSA-N 0 0 193.202 1.762 10 0 ADAERN O=C1C[C@@H]2C(=O)[C@@H]3C=CC[C@H]3[C@@H]2C1 224224694 573517865 /nfs/dbraw/zinc/51/78/65/573517865.db2.gz IQIILAPQRWGZNO-IMSYWVGJSA-N 0 0 176.215 1.357 10 0 ADAERN Cc1ccccc1/C=C/[C@@H]([NH3+])C(=O)[O-] 257823147 573517866 /nfs/dbraw/zinc/51/78/66/573517866.db2.gz GNEHURCLXZMBBP-VQCYPWCPSA-N 0 0 191.230 1.420 10 0 ADAERN O=C1CC[C@H](OCC(F)(F)F)C1 86619374 573517897 /nfs/dbraw/zinc/51/78/97/573517897.db2.gz JYAITEVYWUHAKN-LURJTMIESA-N 0 0 182.141 1.687 10 0 ADAERN C[C@@](F)(C[NH3+])C1=CCSCC1 257822705 573517899 /nfs/dbraw/zinc/51/78/99/573517899.db2.gz GFVYDZNOAUELLC-MRVPVSSYSA-N 0 0 175.272 1.737 10 0 ADAERN CC(=O)CC1(c2ccco2)COC1 258735883 573517903 /nfs/dbraw/zinc/51/79/03/573517903.db2.gz PRKTVLUHAYHNCK-UHFFFAOYSA-N 0 0 180.203 1.527 10 0 ADAERN Nc1nnn(C2CC2)c1C1CCC1 257822715 573517945 /nfs/dbraw/zinc/51/79/45/573517945.db2.gz GGKVKKGFRAOPBL-UHFFFAOYSA-N 0 0 178.239 1.463 10 0 ADAERN CC1=C([C@@H](C)O)C=C[S@](C)(=O)=N1 238423821 573517950 /nfs/dbraw/zinc/51/79/50/573517950.db2.gz LUYGLRLOLUSOLF-KRTXAFLBSA-N 0 0 187.264 1.266 10 0 ADAERN O=Cc1ncc2cc(F)ccn12 107328052 573517952 /nfs/dbraw/zinc/51/79/52/573517952.db2.gz RCPSWIZYYJZLBR-UHFFFAOYSA-N 0 0 164.139 1.286 10 0 ADAERN COc1nc(CC(C)C)c(C)[nH]1 258741267 573517960 /nfs/dbraw/zinc/51/79/60/573517960.db2.gz QGTXLOJWNORSHE-UHFFFAOYSA-N 0 0 168.240 1.925 10 0 ADAERN O=Cc1cncn1C(F)(F)F 107328035 573517978 /nfs/dbraw/zinc/51/79/78/573517978.db2.gz YBERYAWKRFDMQA-UHFFFAOYSA-N 0 0 164.086 1.172 10 0 ADAERN Cc1cc(C)c2c(c1C)C(=O)C(=O)N2 224229579 573517988 /nfs/dbraw/zinc/51/79/88/573517988.db2.gz KNCWQZYYVDSFIF-UHFFFAOYSA-N 0 0 189.214 1.747 10 0 ADAERN CC(C)(C)Oc1cnc(=S)[nH]c1 258739230 573518028 /nfs/dbraw/zinc/51/80/28/573518028.db2.gz WBMCYSLNUJPCCQ-UHFFFAOYSA-N 0 0 184.264 1.943 10 0 ADAERN CO[C@]1(C)CNc2ccccc2O1 238423807 573518042 /nfs/dbraw/zinc/51/80/42/573518042.db2.gz JCGRKWGDSUJWKW-JTQLQIEISA-N 0 0 179.219 1.854 10 0 ADAERN CC[C@H](C)[NH2+]C[C@H]1C[C@@H]1C(=O)[O-] 258740375 573518043 /nfs/dbraw/zinc/51/80/43/573518043.db2.gz WBXFUZYBBVAMDX-RNJXMRFFSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@]1(c2cccc(O)c2)NCCC1=O 258733372 573518064 /nfs/dbraw/zinc/51/80/64/573518064.db2.gz BUJYMVHJJKVTLN-LLVKDONJSA-N 0 0 191.230 1.170 10 0 ADAERN O=C1CC[C@H](OC[C@@H]2CCCO2)C1 86619306 573518448 /nfs/dbraw/zinc/51/84/48/573518448.db2.gz FRHDZWXARFRFMC-UWVGGRQHSA-N 0 0 184.235 1.304 10 0 ADAERN CC(=O)C(C)(C)/C=C/[C@@H]1O[C@H]1C 238423717 573518107 /nfs/dbraw/zinc/51/81/07/573518107.db2.gz KCXVXWAVEMETPG-PCAUVNBSSA-N 0 0 168.236 1.945 10 0 ADAERN C[NH2+][C@@H]1CCCc2cncnc21 107328007 573518089 /nfs/dbraw/zinc/51/80/89/573518089.db2.gz AMKANNCCMFZUFA-MRVPVSSYSA-N 0 0 163.224 1.073 10 0 ADAERN CC(C)(O)CNc1ccccc1N 83461435 573518101 /nfs/dbraw/zinc/51/81/01/573518101.db2.gz BNQLFNMFBCWNGV-UHFFFAOYSA-N 0 0 180.251 1.452 10 0 ADAERN C[C@H](O)[C@H]1CCCC[C@@H]1C(C)(C)O 238424065 573518113 /nfs/dbraw/zinc/51/81/13/573518113.db2.gz MUTDMJAPYVRYFV-AEJSXWLSSA-N 0 0 186.295 1.945 10 0 ADAERN CC[C@](C)(O)CNc1ncccc1N 83461688 573518121 /nfs/dbraw/zinc/51/81/21/573518121.db2.gz GGKIAMPZQWWCIC-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN COCCCO[C@@H]1CCC(=O)C1 86619543 573518122 /nfs/dbraw/zinc/51/81/22/573518122.db2.gz QKAIGEWMUOKRKG-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN C[C@H](O)C1=CC=CC=C([C@@H](C)O)C1 238424159 573518139 /nfs/dbraw/zinc/51/81/39/573518139.db2.gz AXESZXXNWLNNBK-DTORHVGOSA-N 0 0 180.247 1.561 10 0 ADAERN Cc1ccc(NCC(C)(C)O)cc1N 83461560 573518143 /nfs/dbraw/zinc/51/81/43/573518143.db2.gz TZKZHFKNGHQZFP-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN C[NH2+][C@@H](O)c1ccc2oc(C)nc2c1 259111058 573518147 /nfs/dbraw/zinc/51/81/47/573518147.db2.gz AVTIBZHHBOTOHY-JTQLQIEISA-N 0 0 192.218 1.347 10 0 ADAERN C[C@H](O)[C@@H](F)Cc1ccccc1O 257822682 573518156 /nfs/dbraw/zinc/51/81/56/573518156.db2.gz GDYKPMONHFFGPY-CBAPKCEASA-N 0 0 184.210 1.654 10 0 ADAERN Cc1ccc(CNC(=O)S)o1 258732824 573518158 /nfs/dbraw/zinc/51/81/58/573518158.db2.gz RCPAPMYTGDJSHN-UHFFFAOYSA-N 0 0 171.221 1.727 10 0 ADAERN CC[C@](C)(O)CNc1ccccc1N 83461634 573518162 /nfs/dbraw/zinc/51/81/62/573518162.db2.gz HFGVQAYAVCZVAD-NSHDSACASA-N 0 0 194.278 1.842 10 0 ADAERN CCc1nccn1[C@H]1CCC(=O)C1 86618874 573518177 /nfs/dbraw/zinc/51/81/77/573518177.db2.gz URKDRSXUNAZKFD-QMMMGPOBSA-N 0 0 178.235 1.740 10 0 ADAERN CC(C)(O)CNc1ccc(N)cc1F 83461469 573518178 /nfs/dbraw/zinc/51/81/78/573518178.db2.gz UVCJDVHEXKBJTD-UHFFFAOYSA-N 0 0 198.241 1.591 10 0 ADAERN CO[C@]1(C)C[C@@H]2CCC(=O)[C@@H]21 238423863 573518183 /nfs/dbraw/zinc/51/81/83/573518183.db2.gz JQMXDVJUNCNOTR-NBEYISGCSA-N 0 0 154.209 1.391 10 0 ADAERN CC[C@@](C)(O)CNc1ncccc1N 83461690 573518186 /nfs/dbraw/zinc/51/81/86/573518186.db2.gz GGKIAMPZQWWCIC-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN Cc1cc(C(=O)C(C)C)ncn1 107328175 573518451 /nfs/dbraw/zinc/51/84/51/573518451.db2.gz LFYUGRAZDJGHMU-UHFFFAOYSA-N 0 0 164.208 1.624 10 0 ADAERN CCOCc1ccc(NCCO)cc1 308602811 573518452 /nfs/dbraw/zinc/51/84/52/573518452.db2.gz OSTACURJZOYJOW-UHFFFAOYSA-N 0 0 195.262 1.627 10 0 ADAERN CCC[C@H](C(=O)OC(C)C)N(C)C 308400709 573518314 /nfs/dbraw/zinc/51/83/14/573518314.db2.gz GZQJFWOEYARXPV-SECBINFHSA-N 0 0 187.283 1.668 10 0 ADAERN CC1=C(CO)C[C@H]1C 238423858 573518343 /nfs/dbraw/zinc/51/83/43/573518343.db2.gz RUTIPYQRTQTYPM-RXMQYKEDSA-N 0 0 112.172 1.335 10 0 ADAERN CC(=O)c1cnn(C)c1C1CC1 107328157 573518348 /nfs/dbraw/zinc/51/83/48/573518348.db2.gz JOMWHGHDUCFAJR-UHFFFAOYSA-N 0 0 164.208 1.500 10 0 ADAERN Cc1cc(N)ccc1NCC(C)(C)O 83461487 573518354 /nfs/dbraw/zinc/51/83/54/573518354.db2.gz GINWGVBWIMTEOX-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)n1ncc2c1C(=O)CC2 107328388 573518387 /nfs/dbraw/zinc/51/83/87/573518387.db2.gz RMNRGETVYLCKRR-UHFFFAOYSA-N 0 0 164.208 1.593 10 0 ADAERN O=C1CC[C@@H](n2ccnc2)C1 86618787 573518397 /nfs/dbraw/zinc/51/83/97/573518397.db2.gz DNDZDTFMQOQYCQ-SSDOTTSWSA-N 0 0 150.181 1.177 10 0 ADAERN COc1cnccc1CC(C)=O 107328666 573518409 /nfs/dbraw/zinc/51/84/09/573518409.db2.gz QDSOWCBDWPWEBL-UHFFFAOYSA-N 0 0 165.192 1.222 10 0 ADAERN Cc1[nH+]c(N)n2cccc(F)c12 107328588 573520051 /nfs/dbraw/zinc/52/00/51/573520051.db2.gz WBTCBINEXHUPSH-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN Nc1[nH]cc(-c2cccc(C=O)c2)[nH+]1 257822694 573518463 /nfs/dbraw/zinc/51/84/63/573518463.db2.gz GEYMPTWAXSIKDJ-UHFFFAOYSA-N 0 0 187.202 1.471 10 0 ADAERN C[C@@H]1CCC[C@](C)(O)CC1=O 238423628 573518476 /nfs/dbraw/zinc/51/84/76/573518476.db2.gz AQJNQVNLJRVXST-APPZFPTMSA-N 0 0 156.225 1.517 10 0 ADAERN CCOC(=O)[C@H](CC(C)C)NOC 308400665 573518478 /nfs/dbraw/zinc/51/84/78/573518478.db2.gz GWQBKKJODTULJJ-QMMMGPOBSA-N 0 0 189.255 1.115 10 0 ADAERN CC1=C([C@@H](C)O)C=C[S@@](C)(=O)=N1 238423837 573518487 /nfs/dbraw/zinc/51/84/87/573518487.db2.gz LUYGLRLOLUSOLF-JMCQJSRRSA-N 0 0 187.264 1.266 10 0 ADAERN C[NH2+][C@H](O)c1ccc2oc(C)nc2c1 259111064 573518497 /nfs/dbraw/zinc/51/84/97/573518497.db2.gz AVTIBZHHBOTOHY-SNVBAGLBSA-N 0 0 192.218 1.347 10 0 ADAERN Cc1cnc(C=O)n1C1CCC1 107328400 573518505 /nfs/dbraw/zinc/51/85/05/573518505.db2.gz WMCQFQXOMHFJBW-UHFFFAOYSA-N 0 0 164.208 1.729 10 0 ADAERN C[C@@H](O)C1C=CC=CC=C1 238424794 573518520 /nfs/dbraw/zinc/51/85/20/573518520.db2.gz NISJYCPPDLDRLJ-MRVPVSSYSA-N 0 0 136.194 1.666 10 0 ADAERN O=C1CCC(c2ncco2)CC1 107328608 573518523 /nfs/dbraw/zinc/51/85/23/573518523.db2.gz OBRBYLRTKPSATC-UHFFFAOYSA-N 0 0 165.192 1.901 10 0 ADAERN CC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 258740371 573518546 /nfs/dbraw/zinc/51/85/46/573518546.db2.gz WBXFUZYBBVAMDX-FXQIFTODSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@@H](O)[C@H](F)Cc1ccccc1O 257822684 573518577 /nfs/dbraw/zinc/51/85/77/573518577.db2.gz GDYKPMONHFFGPY-VXNVDRBHSA-N 0 0 184.210 1.654 10 0 ADAERN Nc1ccc(O)cc1C[C@@H]1CCOC1 257822521 573518590 /nfs/dbraw/zinc/51/85/90/573518590.db2.gz GHNQAXJJRRMMQY-QMMMGPOBSA-N 0 0 193.246 1.553 10 0 ADAERN CC(=O)c1nocc1C 257822907 573518599 /nfs/dbraw/zinc/51/85/99/573518599.db2.gz FKXRGURYRNFZAI-UHFFFAOYSA-N 0 0 125.127 1.186 10 0 ADAERN CCC[C@@H](C(=O)OC(C)C)N(C)C 308400710 573518628 /nfs/dbraw/zinc/51/86/28/573518628.db2.gz GZQJFWOEYARXPV-VIFPVBQESA-N 0 0 187.283 1.668 10 0 ADAERN CC[C@](C)(O)CNc1ccc(N)cn1 83461712 573518637 /nfs/dbraw/zinc/51/86/37/573518637.db2.gz GXDIOMZPZAGSHT-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN O=COC[C@@H]1CC=CCC1 33605681 573518649 /nfs/dbraw/zinc/51/86/49/573518649.db2.gz ZICOSWDVLGBUAZ-MRVPVSSYSA-N 0 0 140.182 1.516 10 0 ADAERN COc1cc(C)cc2c1CCN2 107327890 573520076 /nfs/dbraw/zinc/52/00/76/573520076.db2.gz FZYLVVUZFGCXGQ-UHFFFAOYSA-N 0 0 163.220 1.972 10 0 ADAERN C[C@@H](O)C1C=CCCC=C1 238424813 573520425 /nfs/dbraw/zinc/52/04/25/573520425.db2.gz UJYFUQAYBAPPNV-MRVPVSSYSA-N 0 0 138.210 1.890 10 0 ADAERN CO[C@]1(C)C[C@H]2CCC(=O)[C@@H]21 238423925 573520432 /nfs/dbraw/zinc/52/04/32/573520432.db2.gz JQMXDVJUNCNOTR-FTLITQJKSA-N 0 0 154.209 1.391 10 0 ADAERN Cc1[nH]c(CO)nc1-c1ccncc1 258733009 573520451 /nfs/dbraw/zinc/52/04/51/573520451.db2.gz PQPFSTNXVWDGPN-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN CC(=O)c1cn(C)nc1C1CC1 107328153 573519868 /nfs/dbraw/zinc/51/98/68/573519868.db2.gz ZFTSOJWCBDCOJJ-UHFFFAOYSA-N 0 0 164.208 1.500 10 0 ADAERN C[C@@H]1CCC[C@@](O)(Cn2cnnc2)C1 83470718 573519874 /nfs/dbraw/zinc/51/98/74/573519874.db2.gz GIKDVLGHBNPJIQ-ZJUUUORDSA-N 0 0 195.266 1.219 10 0 ADAERN O=C(CCCO)Nc1cccs1 258737341 573519888 /nfs/dbraw/zinc/51/98/88/573519888.db2.gz OSJUWWGVPVZDOJ-UHFFFAOYSA-N 0 0 185.248 1.459 10 0 ADAERN CO[C@@](C)(CO)c1ccc(C)cc1 257822698 573519891 /nfs/dbraw/zinc/51/98/91/573519891.db2.gz GFOMISMMIBMEBC-NSHDSACASA-N 0 0 180.247 1.849 10 0 ADAERN Cn1nc(N)cc1-c1cccc(O)c1 257823039 573520471 /nfs/dbraw/zinc/52/04/71/573520471.db2.gz GKHKIRINARZISN-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CC(=O)[C@@H]1CCc2ccnn2C1 107328334 573519900 /nfs/dbraw/zinc/51/99/00/573519900.db2.gz GZHBHENOSNGRCO-MRVPVSSYSA-N 0 0 164.208 1.035 10 0 ADAERN O=C1CC[C@@H](OC[C@H]2CCCCO2)C1 86619328 573519904 /nfs/dbraw/zinc/51/99/04/573519904.db2.gz ONROFYHVWABJBX-GHMZBOCLSA-N 0 0 198.262 1.694 10 0 ADAERN C[C@@H](O)C1=CC=CC=CC1 238424174 573519908 /nfs/dbraw/zinc/51/99/08/573519908.db2.gz WUNKNBODICAMBD-MRVPVSSYSA-N 0 0 136.194 1.810 10 0 ADAERN O=C1Nc2ccccc2C[C@H]1CCO 224222705 573519909 /nfs/dbraw/zinc/51/99/09/573519909.db2.gz QNQXSMLXUODFGV-SECBINFHSA-N 0 0 191.230 1.180 10 0 ADAERN Cc1cc2cc(C=O)ccn2n1 107327038 573519910 /nfs/dbraw/zinc/51/99/10/573519910.db2.gz KURIVCTVQAVOOO-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN C[C@@H]1O[C@H]1[C@@H](O)C(C)(C)C 238423498 573519919 /nfs/dbraw/zinc/51/99/19/573519919.db2.gz GPFFWJGPIBWMKU-RRKCRQDMSA-N 0 0 144.214 1.181 10 0 ADAERN COCc1cc(C(C)=O)ccn1 107328698 573519922 /nfs/dbraw/zinc/51/99/22/573519922.db2.gz IYZUMJRGFMERJE-UHFFFAOYSA-N 0 0 165.192 1.431 10 0 ADAERN C[C@@]12CCC/C(=C\CO)[C@@H]1O2 238424098 573519924 /nfs/dbraw/zinc/51/99/24/573519924.db2.gz WOJUZLRFIIXDAF-UFVYQPJESA-N 0 0 154.209 1.247 10 0 ADAERN Cn1cc(OC[C@@H]2CCSC2)cn1 258731303 573519925 /nfs/dbraw/zinc/51/99/25/573519925.db2.gz VSVVBEPYHFTTPD-QMMMGPOBSA-N 0 0 198.291 1.552 10 0 ADAERN O=C1CC[C@H](OC[C@H]2CCOC2)C1 86619614 573519962 /nfs/dbraw/zinc/51/99/62/573519962.db2.gz HMPHQHDPSBFBAZ-WPRPVWTQSA-N 0 0 184.235 1.161 10 0 ADAERN C[C@@H]1CCC[C@](C)(CO)C1=O 238423544 573519967 /nfs/dbraw/zinc/51/99/67/573519967.db2.gz VGXUJODQPCSKRW-VXNVDRBHSA-N 0 0 156.225 1.374 10 0 ADAERN CC(=O)c1cn(C2CCC2)cn1 107328200 573519969 /nfs/dbraw/zinc/51/99/69/573519969.db2.gz DQQAYCQPIPYDBI-UHFFFAOYSA-N 0 0 164.208 1.811 10 0 ADAERN Cn1ncc(C2CCCCC2)c1CO 257822911 573520404 /nfs/dbraw/zinc/52/04/04/573520404.db2.gz FLEJWOIQKANJMA-UHFFFAOYSA-N 0 0 194.278 1.960 10 0 ADAERN CC(C)C(=O)c1cccc(=O)[nH]1 107328662 573520090 /nfs/dbraw/zinc/52/00/90/573520090.db2.gz KBDQNLHSSVLOKN-UHFFFAOYSA-N 0 0 165.192 1.626 10 0 ADAERN O=C1CC[C@H](OCc2ccco2)C1 86619622 573520093 /nfs/dbraw/zinc/52/00/93/573520093.db2.gz IBTCWZFDAHNNQF-VIFPVBQESA-N 0 0 180.203 1.918 10 0 ADAERN COc1nccc(C(F)F)c1O 238423663 573520096 /nfs/dbraw/zinc/52/00/96/573520096.db2.gz LQNKEMUBCOXKOS-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN CC(C)Oc1ccnc(C=O)c1 107328622 573520098 /nfs/dbraw/zinc/52/00/98/573520098.db2.gz SWVVRHGJKPIVKF-UHFFFAOYSA-N 0 0 165.192 1.681 10 0 ADAERN CC(=O)[C@@H]1CCn2nccc2C1 107328338 573520119 /nfs/dbraw/zinc/52/01/19/573520119.db2.gz HBPZPXDHIUVJLX-MRVPVSSYSA-N 0 0 164.208 1.035 10 0 ADAERN Cc1nc(C)n([C@H]2CCC(=O)C2)n1 86618866 573520121 /nfs/dbraw/zinc/52/01/21/573520121.db2.gz MNYUWTDOQSBJRY-QMMMGPOBSA-N 0 0 179.223 1.189 10 0 ADAERN C[C@H]([C@H](O)c1ccccc1)N(C)C#N 238423878 573520156 /nfs/dbraw/zinc/52/01/56/573520156.db2.gz CXSRYKFZSZDWNK-KOLCDFICSA-N 0 0 190.246 1.521 10 0 ADAERN CSc1ccc(F)c(CON)c1 259483678 573520157 /nfs/dbraw/zinc/52/01/57/573520157.db2.gz PEQMBESWJPZEPK-UHFFFAOYSA-N 0 0 187.239 1.938 10 0 ADAERN CC(C)c1ccc(NC(=O)C=O)cc1 258732255 573520161 /nfs/dbraw/zinc/52/01/61/573520161.db2.gz MRHVBXLVDJZIMA-UHFFFAOYSA-N 0 0 191.230 1.947 10 0 ADAERN COc1ccc(CCCCO)c(N)c1 257823079 573520163 /nfs/dbraw/zinc/52/01/63/573520163.db2.gz GLDJZFATHMIHIH-UHFFFAOYSA-N 0 0 195.262 1.592 10 0 ADAERN CCCO[C@@H]1CCC(=O)C1 86619497 573520165 /nfs/dbraw/zinc/52/01/65/573520165.db2.gz NNYCSSYOQLSPBL-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN C[C@@]1(c2cccc(O)c2)NCCC1=O 258733374 573520179 /nfs/dbraw/zinc/52/01/79/573520179.db2.gz BUJYMVHJJKVTLN-NSHDSACASA-N 0 0 191.230 1.170 10 0 ADAERN CC(=O)[C@H]1CCCn2nccc21 107328343 573520180 /nfs/dbraw/zinc/52/01/80/573520180.db2.gz HQJSQDSSGAYXQF-MRVPVSSYSA-N 0 0 164.208 1.350 10 0 ADAERN C[C@H]1Oc2ccccc2C(=O)[C@H]1O 224225427 573520182 /nfs/dbraw/zinc/52/01/82/573520182.db2.gz MTNSHWMEMCGGAF-MUWHJKNJSA-N 0 0 178.187 1.011 10 0 ADAERN CNC(=O)c1cn2cc(C)sc2n1 75303799 573520186 /nfs/dbraw/zinc/52/01/86/573520186.db2.gz WGLCHSCLFSLVAY-UHFFFAOYSA-N 0 0 195.247 1.064 10 0 ADAERN CCCC(C)(C)N1C[C@@H](CO)CC1=O 126353347 573520255 /nfs/dbraw/zinc/52/02/55/573520255.db2.gz SPOWXMZJIKPCKJ-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN CCOC(=O)[C@@H](CC(C)C)NOC 308400664 573520263 /nfs/dbraw/zinc/52/02/63/573520263.db2.gz GWQBKKJODTULJJ-MRVPVSSYSA-N 0 0 189.255 1.115 10 0 ADAERN COc1ncccc1CC(C)=O 107328707 573520283 /nfs/dbraw/zinc/52/02/83/573520283.db2.gz SQSWKZWSYVDWSU-UHFFFAOYSA-N 0 0 165.192 1.222 10 0 ADAERN Cc1nc([C@H]2CSCCN2)c(C)o1 257822870 573520289 /nfs/dbraw/zinc/52/02/89/573520289.db2.gz DWIGFAWTEJARLN-MRVPVSSYSA-N 0 0 198.291 1.669 10 0 ADAERN CSc1cccc(CO)c1CO 238424220 573520304 /nfs/dbraw/zinc/52/03/04/573520304.db2.gz QZLPLPJQWKKFHG-UHFFFAOYSA-N 0 0 184.260 1.393 10 0 ADAERN CC(C)=CC[C@@H](CO)C(C)(C)O 33605675 573520322 /nfs/dbraw/zinc/52/03/22/573520322.db2.gz QMOAXOFWWFUAKB-VIFPVBQESA-N 0 0 172.268 1.722 10 0 ADAERN [NH3+][C@H]1CCc2ncn(C3CC3)c21 107327998 573520329 /nfs/dbraw/zinc/52/03/29/573520329.db2.gz PKGKBHHYBYCXPI-ZETCQYMHSA-N 0 0 163.224 1.164 10 0 ADAERN Nc1n[nH]nc1-c1cccc(F)c1 257822714 573520369 /nfs/dbraw/zinc/52/03/69/573520369.db2.gz GGGPNCNKNOMECX-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN [NH3+][C@H]1CCc2oc(C3CC3)nc21 107328382 573520413 /nfs/dbraw/zinc/52/04/13/573520413.db2.gz GLRMQDWBQKPIQK-LURJTMIESA-N 0 0 164.208 1.498 10 0 ADAERN CC[C@H]([NH+](C)C)C1(C(=O)[O-])CC1 259483858 573520380 /nfs/dbraw/zinc/52/03/80/573520380.db2.gz KTEYGOBDCFVNFU-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN COc1c(C(F)F)c[nH]c(=O)c1N 238423652 573520476 /nfs/dbraw/zinc/52/04/76/573520476.db2.gz MEBGCWKVQAVVDD-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN O=C1CC[C@@H](OCC(F)(F)F)C1 86619373 573520498 /nfs/dbraw/zinc/52/04/98/573520498.db2.gz JYAITEVYWUHAKN-ZCFIWIBFSA-N 0 0 182.141 1.687 10 0 ADAERN COc1ccc(NCO)cc1OC 258738426 573520518 /nfs/dbraw/zinc/52/05/18/573520518.db2.gz VWIMJZBADWEOAT-UHFFFAOYSA-N 0 0 183.207 1.066 10 0 ADAERN Cc1ccc(NCNN)cc1Cl 258733823 573520525 /nfs/dbraw/zinc/52/05/25/573520525.db2.gz VKAWDSXITTUOMX-UHFFFAOYSA-N 0 0 185.658 1.481 10 0 ADAERN C[C@@H]1O[C@]1(Cl)[C@@H](O)OC(C)(C)C 238424372 573520533 /nfs/dbraw/zinc/52/05/33/573520533.db2.gz AIRXJHWGNUWCRW-HAFWLYHUSA-N 0 0 194.658 1.474 10 0 ADAERN COCC[C@@H](C)N[C@@H](C)c1ncon1 308602826 573520534 /nfs/dbraw/zinc/52/05/34/573520534.db2.gz OTNSLYIETZMBBX-SFYZADRCSA-N 0 0 199.254 1.145 10 0 ADAERN OCc1nc([C@@H]2CCCSC2)co1 258046554 573520591 /nfs/dbraw/zinc/52/05/91/573520591.db2.gz JRPKOEPELVSSAL-SSDOTTSWSA-N 0 0 199.275 1.778 10 0 ADAERN OC/C=C\[C@H](O)CCC[C@H]1C=CCO1 308605078 573520593 /nfs/dbraw/zinc/52/05/93/573520593.db2.gz WFVSTCFMAVCSMU-OWPBXUSHSA-N 0 0 198.262 1.021 10 0 ADAERN C[NH2+][C@H]1CCCc2cncnc21 107328009 573520594 /nfs/dbraw/zinc/52/05/94/573520594.db2.gz AMKANNCCMFZUFA-QMMMGPOBSA-N 0 0 163.224 1.073 10 0 ADAERN CC(=O)[C@H]1CCc2ccnn2C1 107328336 573520613 /nfs/dbraw/zinc/52/06/13/573520613.db2.gz GZHBHENOSNGRCO-QMMMGPOBSA-N 0 0 164.208 1.035 10 0 ADAERN COc1ccc([C@@H]2CCOC2)cc1N 257826796 573520634 /nfs/dbraw/zinc/52/06/34/573520634.db2.gz HQSOLOKGVJPVQX-SECBINFHSA-N 0 0 193.246 1.781 10 0 ADAERN C[NH2+][C@@H]1Cc2cccc(C(=O)[O-])c2C1 257823684 573520645 /nfs/dbraw/zinc/52/06/45/573520645.db2.gz GPBMUTFANGHRJT-MRVPVSSYSA-N 0 0 191.230 1.071 10 0 ADAERN Cc1ccc([C@H]2[NH2+]C[C@H]2C(=O)[O-])cc1 257823616 573520662 /nfs/dbraw/zinc/52/06/62/573520662.db2.gz GNZYOTATNNRWHI-NXEZZACHSA-N 0 0 191.230 1.340 10 0 ADAERN CCc1cnnc(Br)n1 257827084 573520672 /nfs/dbraw/zinc/52/06/72/573520672.db2.gz HTVKXBXYFPQXPM-UHFFFAOYSA-N 0 0 188.028 1.197 10 0 ADAERN Cc1ncn([C@@H]2CCC(=O)C2)c1C 86619167 573520691 /nfs/dbraw/zinc/52/06/91/573520691.db2.gz QAPHWWTZPSPZJV-SECBINFHSA-N 0 0 178.235 1.794 10 0 ADAERN [NH3+][C@H]1CCc2c1ncn2C1CC1 107328000 573520695 /nfs/dbraw/zinc/52/06/95/573520695.db2.gz MSDASQGFDUAHKO-ZETCQYMHSA-N 0 0 163.224 1.164 10 0 ADAERN CCn1nnc(N)c1C1CCCCC1 257826804 573520701 /nfs/dbraw/zinc/52/07/01/573520701.db2.gz HRBNEEKXJHVKNG-UHFFFAOYSA-N 0 0 194.282 1.928 10 0 ADAERN Cc1cn2cccnc2c1C=O 107327032 573520730 /nfs/dbraw/zinc/52/07/30/573520730.db2.gz HXTUQILXUWJNBY-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN Cc1nccn1[C@@H]1CCC(=O)C1 86618791 573521357 /nfs/dbraw/zinc/52/13/57/573521357.db2.gz HNYGQQHKJOFMCB-MRVPVSSYSA-N 0 0 164.208 1.486 10 0 ADAERN c1cnnc(C[C@H]2CCOC2)c1 259485529 573520745 /nfs/dbraw/zinc/52/07/45/573520745.db2.gz PKUMXXJZYHKSLJ-MRVPVSSYSA-N 0 0 164.208 1.056 10 0 ADAERN CN(CCC1CCCC1)C(N)=O 258740782 573520749 /nfs/dbraw/zinc/52/07/49/573520749.db2.gz SJZZZFSZUHGMLI-UHFFFAOYSA-N 0 0 170.256 1.577 10 0 ADAERN [NH3+][C@@H]1CCc2c1ncn2C1CC1 107328001 573520772 /nfs/dbraw/zinc/52/07/72/573520772.db2.gz MSDASQGFDUAHKO-SSDOTTSWSA-N 0 0 163.224 1.164 10 0 ADAERN C[N@@H+]1CCCC[C@H]1c1cc(N)cnn1 259485482 573520776 /nfs/dbraw/zinc/52/07/76/573520776.db2.gz PJULKUQOKKJCEG-JTQLQIEISA-N 0 0 192.266 1.216 10 0 ADAERN Cc1cc(C)cc(NC(=O)C=O)c1 258740905 573520779 /nfs/dbraw/zinc/52/07/79/573520779.db2.gz NGVVTMDDAXEFOW-UHFFFAOYSA-N 0 0 177.203 1.441 10 0 ADAERN CN(C)c1cc(CO)cc(F)c1F 259489491 573520813 /nfs/dbraw/zinc/52/08/13/573520813.db2.gz PVQLJYRYZOGHDY-UHFFFAOYSA-N 0 0 187.189 1.523 10 0 ADAERN C[C@@H]1Nc2ccccc2SC[C@@H]1O 238425508 573522230 /nfs/dbraw/zinc/52/22/30/573522230.db2.gz YNUIAJDRARTDLB-CBAPKCEASA-N 0 0 195.287 1.954 10 0 ADAERN C[C@@H]1CCC[C@](O)([C@@H](C)O)C1 238424266 573520840 /nfs/dbraw/zinc/52/08/40/573520840.db2.gz GROIBAKLZXDEBE-IWSPIJDZSA-N 0 0 158.241 1.308 10 0 ADAERN Cc1cc(C)n([C@@H]2CCC(=O)C2)n1 86618801 573520866 /nfs/dbraw/zinc/52/08/66/573520866.db2.gz IVKBJXBFYPQSID-SECBINFHSA-N 0 0 178.235 1.794 10 0 ADAERN COC(=O)NCC1(O)CCCCC1 83467809 573520885 /nfs/dbraw/zinc/52/08/85/573520885.db2.gz VKBIOFHECDEWGB-UHFFFAOYSA-N 0 0 187.239 1.038 10 0 ADAERN CC(C)C[C@H]([C@H]1C[C@H]1C(=O)[O-])[NH+](C)C 259489448 573520892 /nfs/dbraw/zinc/52/08/92/573520892.db2.gz LBVZWIUKKHAMIB-IVZWLZJFSA-N 0 0 199.294 1.683 10 0 ADAERN CSc1nsc(C=O)n1 107327111 573520899 /nfs/dbraw/zinc/52/08/99/573520899.db2.gz BEXWQHBHEOYKKR-UHFFFAOYSA-N 0 0 160.223 1.073 10 0 ADAERN CCc1nc2c(o1)CCC(=O)C2 107328606 573520911 /nfs/dbraw/zinc/52/09/11/573520911.db2.gz AGMJTDSODPEYNQ-UHFFFAOYSA-N 0 0 165.192 1.295 10 0 ADAERN CC(C)Oc1ccncc1C=O 107328624 573520932 /nfs/dbraw/zinc/52/09/32/573520932.db2.gz VLUBQHCHWFNVSZ-UHFFFAOYSA-N 0 0 165.192 1.681 10 0 ADAERN COc1nccc(C(F)F)c1CO 238423531 573520941 /nfs/dbraw/zinc/52/09/41/573520941.db2.gz CJPXKMKWYQLSKO-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN [NH3+][C@@H]1CCc2ncn(C3CC3)c21 107327996 573520947 /nfs/dbraw/zinc/52/09/47/573520947.db2.gz PKGKBHHYBYCXPI-SSDOTTSWSA-N 0 0 163.224 1.164 10 0 ADAERN Cc1nccn1[C@H]1CCC(=O)C1 86618792 573520948 /nfs/dbraw/zinc/52/09/48/573520948.db2.gz HNYGQQHKJOFMCB-QMMMGPOBSA-N 0 0 164.208 1.486 10 0 ADAERN COC(=O)c1oc2ccncc2c1N 238424805 573520982 /nfs/dbraw/zinc/52/09/82/573520982.db2.gz NBZDAMXVPMZUSF-UHFFFAOYSA-N 0 0 192.174 1.197 10 0 ADAERN CCc1nc(Cl)[nH]c1C 258739001 573520993 /nfs/dbraw/zinc/52/09/93/573520993.db2.gz QCCCRRJRLITNMB-UHFFFAOYSA-N 0 0 144.605 1.934 10 0 ADAERN COc1cc2c(cc1O)CCN2 107328612 573521044 /nfs/dbraw/zinc/52/10/44/573521044.db2.gz TWLBMNOETQRWKD-UHFFFAOYSA-N 0 0 165.192 1.369 10 0 ADAERN COC1(c2cccc(CCO)c2)CC1 259487400 573521051 /nfs/dbraw/zinc/52/10/51/573521051.db2.gz PPDKTDQKHAKQFU-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN CC1=C([C@@H](C)O)C1(C)C 238423653 573521368 /nfs/dbraw/zinc/52/13/68/573521368.db2.gz XOUHNIPUMDIHBQ-ZCFIWIBFSA-N 0 0 126.199 1.724 10 0 ADAERN Nc1ccc(CNCC(F)F)nc1 147859086 573521067 /nfs/dbraw/zinc/52/10/67/573521067.db2.gz MNUYQOQBJMFNHQ-UHFFFAOYSA-N 0 0 187.193 1.019 10 0 ADAERN CC(C)Oc1cnccc1C=O 107328619 573521084 /nfs/dbraw/zinc/52/10/84/573521084.db2.gz HYDZGKFHUJRFRR-UHFFFAOYSA-N 0 0 165.192 1.681 10 0 ADAERN O=C1CC[C@H](OCC2CC2)C1 86619358 573521101 /nfs/dbraw/zinc/52/11/01/573521101.db2.gz JWAKJQZBYYLVGL-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN CC[C@H](C)n1nnc(C)c1C(=O)OC 259486699 573521118 /nfs/dbraw/zinc/52/11/18/573521118.db2.gz AUFKCSGKNFNPLC-LURJTMIESA-N 0 0 197.238 1.344 10 0 ADAERN Cc1ncc(C(=O)[O-])cc1[C@@H](C)[NH3+] 257826992 573521132 /nfs/dbraw/zinc/52/11/32/573521132.db2.gz HRAMOVOGFFDBET-RXMQYKEDSA-N 0 0 180.207 1.108 10 0 ADAERN Cc1ncc2c(n1)[C@H]([NH3+])CCC2 107328003 573521161 /nfs/dbraw/zinc/52/11/61/573521161.db2.gz XHXOUZFDKQIJGC-MRVPVSSYSA-N 0 0 163.224 1.121 10 0 ADAERN CO[C@@](C)(CO)c1ccccc1F 257823424 573521181 /nfs/dbraw/zinc/52/11/81/573521181.db2.gz GNEVSVJYGAEOAW-JTQLQIEISA-N 0 0 184.210 1.680 10 0 ADAERN C[C@@H]1C[C@@H](CCO)C(C)(C)C1=O 238424532 573521377 /nfs/dbraw/zinc/52/13/77/573521377.db2.gz CAFOGXXSCTYYPT-HTQZYQBOSA-N 0 0 170.252 1.620 10 0 ADAERN C[C@H](CC[NH2+]Cc1ccco1)C(=O)[O-] 258733862 573521199 /nfs/dbraw/zinc/52/11/99/573521199.db2.gz VLIABAWQDCHVCM-MRVPVSSYSA-N 0 0 197.234 1.480 10 0 ADAERN C[C@@H](O)C12CC3C(C1)C3C2 238423472 573521207 /nfs/dbraw/zinc/52/12/07/573521207.db2.gz WIOIXZBXKHHDFI-YJMOEEQWSA-N 0 0 138.210 1.413 10 0 ADAERN COc1cc(C)c2c(c1)NCC2 107327894 573521213 /nfs/dbraw/zinc/52/12/13/573521213.db2.gz ZEJKYAALSYKSLJ-UHFFFAOYSA-N 0 0 163.220 1.972 10 0 ADAERN COc1nccc(C(F)F)c1N 238423617 573521214 /nfs/dbraw/zinc/52/12/14/573521214.db2.gz AARVUCJSCHJAEI-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN CC(=O)c1ccc2ccnn2c1 107327042 573521220 /nfs/dbraw/zinc/52/12/20/573521220.db2.gz JDOXTNDVDSCXAS-UHFFFAOYSA-N 0 0 160.176 1.537 10 0 ADAERN CC(=O)c1ccc2c(c1)c(=O)on2C 257823632 573521237 /nfs/dbraw/zinc/52/12/37/573521237.db2.gz GOIXWTBZKJVXJO-UHFFFAOYSA-N 0 0 191.186 1.334 10 0 ADAERN CCOC(=O)/C=C\C=C1CC(OC)C1 388693510 573521245 /nfs/dbraw/zinc/52/12/45/573521245.db2.gz LMIBOCWSIOGVED-LSWUTZEOSA-N 0 0 196.246 1.841 10 0 ADAERN CC(=O)[C@]1([Si](C)(C)C)O[C@H]1C 238424077 573521256 /nfs/dbraw/zinc/52/12/56/573521256.db2.gz RZQJCGOXPIYBJY-JGVFFNPUSA-N 0 0 172.300 1.610 10 0 ADAERN CC(=O)[C@H]1CCn2nccc2C1 107328339 573521257 /nfs/dbraw/zinc/52/12/57/573521257.db2.gz HBPZPXDHIUVJLX-QMMMGPOBSA-N 0 0 164.208 1.035 10 0 ADAERN O=C1CC[C@@H](n2cccn2)C1 86618807 573521388 /nfs/dbraw/zinc/52/13/88/573521388.db2.gz FPBNCNKYQFPLRA-SSDOTTSWSA-N 0 0 150.181 1.177 10 0 ADAERN CCC[C@]1(C(C)C)CNC1=O 222698582 573521279 /nfs/dbraw/zinc/52/12/79/573521279.db2.gz ATQRQLIOPPUXMY-SECBINFHSA-N 0 0 155.241 1.559 10 0 ADAERN OCc1nc(C2CCCCC2)c[nH]1 257827019 573521293 /nfs/dbraw/zinc/52/12/93/573521293.db2.gz HSMSEDRYBANYNK-UHFFFAOYSA-N 0 0 180.251 1.950 10 0 ADAERN CCCc1oc(N)nc1C(C)=O 258741027 573521311 /nfs/dbraw/zinc/52/13/11/573521311.db2.gz JMBCCAKITDFEAY-UHFFFAOYSA-N 0 0 168.196 1.412 10 0 ADAERN C[C@@H]1O[C@](C)(O)c2cnccc21 238424018 573521320 /nfs/dbraw/zinc/52/13/20/573521320.db2.gz OWVCGXHZPVPOBC-RCOVLWMOSA-N 0 0 165.192 1.338 10 0 ADAERN COc1ccc([C@H]2CCOC2)cc1N 257826797 573521337 /nfs/dbraw/zinc/52/13/37/573521337.db2.gz HQSOLOKGVJPVQX-VIFPVBQESA-N 0 0 193.246 1.781 10 0 ADAERN Cc1cc2cccc(C=O)n2n1 107327035 573521345 /nfs/dbraw/zinc/52/13/45/573521345.db2.gz YKQALVZCIIHVBN-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CCCO[C@H]1CCC(=O)C1 86619498 573521346 /nfs/dbraw/zinc/52/13/46/573521346.db2.gz NNYCSSYOQLSPBL-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN COC(=O)C1(CC(C)C)COC1 258747509 573522244 /nfs/dbraw/zinc/52/22/44/573522244.db2.gz QTXADYBJKMHURB-UHFFFAOYSA-N 0 0 172.224 1.222 10 0 ADAERN C[C@@H](O)C1=NCc2ccccc2N1 238425589 573522276 /nfs/dbraw/zinc/52/22/76/573522276.db2.gz HVVFRALYIKIKSM-SSDOTTSWSA-N 0 0 176.219 1.201 10 0 ADAERN C[C@@H]1SC(C)(C)C1=O 238425510 573522216 /nfs/dbraw/zinc/52/22/16/573522216.db2.gz UEOGYTKTXVPSCN-BYPYZUCNSA-N 0 0 130.212 1.469 10 0 ADAERN CNc1nc(C2CCC2)n(C)n1 107330060 573525454 /nfs/dbraw/zinc/52/54/54/573525454.db2.gz CCKKIJCBWOJROW-UHFFFAOYSA-N 0 0 166.228 1.124 10 0 ADAERN O=C1CC[C@@H](OCC2CC2)C1 86619357 573522267 /nfs/dbraw/zinc/52/22/67/573522267.db2.gz JWAKJQZBYYLVGL-SECBINFHSA-N 0 0 154.209 1.535 10 0 ADAERN CCC[C@H](C)Nc1ccn(CCO)n1 308613079 573523374 /nfs/dbraw/zinc/52/33/74/573523374.db2.gz RDZCAPJVEUZJDH-VIFPVBQESA-N 0 0 197.282 1.476 10 0 ADAERN CCOc1nccc(C(C)=O)n1 107329387 573523380 /nfs/dbraw/zinc/52/33/80/573523380.db2.gz AEPCBAWYIHJFPG-UHFFFAOYSA-N 0 0 166.180 1.078 10 0 ADAERN CC1(C)CCC(O)(CNC#N)CC1 83469380 573523384 /nfs/dbraw/zinc/52/33/84/573523384.db2.gz FMWXVUAECSNGEM-UHFFFAOYSA-N 0 0 182.267 1.388 10 0 ADAERN CCCNC(=O)C1CCC(CO)CC1 258750348 573523076 /nfs/dbraw/zinc/52/30/76/573523076.db2.gz ODFJMFGFVJFRMP-UHFFFAOYSA-N 0 0 199.294 1.311 10 0 ADAERN C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H]1C(=O)[O-] 257823313 573523097 /nfs/dbraw/zinc/52/30/97/573523097.db2.gz GJGNZLPWLHTBOO-SFYZADRCSA-N 0 0 185.267 1.437 10 0 ADAERN C=CC(=O)NC[C@]1(O)CCC[C@H](C)C1 83469348 573523122 /nfs/dbraw/zinc/52/31/22/573523122.db2.gz LYIISEDSYDEPGP-ONGXEEELSA-N 0 0 197.278 1.230 10 0 ADAERN Cc1ccc([C@@H]2[NH2+]C[C@H]2C(=O)[O-])cc1 257823622 573523124 /nfs/dbraw/zinc/52/31/24/573523124.db2.gz GNZYOTATNNRWHI-ZJUUUORDSA-N 0 0 191.230 1.340 10 0 ADAERN CN(C(=O)CCO)c1ccccc1F 258747775 573523126 /nfs/dbraw/zinc/52/31/26/573523126.db2.gz GAYFRKMMVASKSD-UHFFFAOYSA-N 0 0 197.209 1.171 10 0 ADAERN CCc1nc(N)oc1C(F)(F)F 257823395 573523148 /nfs/dbraw/zinc/52/31/48/573523148.db2.gz GMFQTMSGEADIRV-UHFFFAOYSA-N 0 0 180.129 1.838 10 0 ADAERN C[C@@H]1Nc2ccccc2OC[C@H]1O 238425462 573523150 /nfs/dbraw/zinc/52/31/50/573523150.db2.gz XQUPEUZDEVJGDY-IONNQARKSA-N 0 0 179.219 1.240 10 0 ADAERN CC[C@@](C)(O)CNc1ccncn1 83466661 573523152 /nfs/dbraw/zinc/52/31/52/573523152.db2.gz GXFHVAVGMZFWPO-SECBINFHSA-N 0 0 181.239 1.050 10 0 ADAERN Cc1cn2cc(C=O)sc2n1 107329605 573523209 /nfs/dbraw/zinc/52/32/09/573523209.db2.gz ZZWJYECHKARQFC-UHFFFAOYSA-N 0 0 166.205 1.517 10 0 ADAERN CC[C@](C)(O)CNc1nncs1 83466632 573523211 /nfs/dbraw/zinc/52/32/11/573523211.db2.gz DJQILJXMGWWFKB-ZETCQYMHSA-N 0 0 187.268 1.111 10 0 ADAERN C[C@@H](O)C=C1CCC(O)CC1 238425679 573523225 /nfs/dbraw/zinc/52/32/25/573523225.db2.gz XMKLTIOBEODIBQ-YOXFSPIKSA-N 0 0 156.225 1.229 10 0 ADAERN Cn1cnc(-c2ccco2)c1N 258741817 573523251 /nfs/dbraw/zinc/52/32/51/573523251.db2.gz ZPQOJEKTDFVROX-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CC[C@](C)(O)CNc1ncccc1C 83466630 573523274 /nfs/dbraw/zinc/52/32/74/573523274.db2.gz VNNGVRFLFHRPEN-NSHDSACASA-N 0 0 194.278 1.963 10 0 ADAERN COCCCn1cnc2cccnc21 258745838 573523435 /nfs/dbraw/zinc/52/34/35/573523435.db2.gz OVHMHKPPFCXWMH-UHFFFAOYSA-N 0 0 191.234 1.468 10 0 ADAERN CC(C)c1cc2c(N)ncnc2o1 257823392 573523437 /nfs/dbraw/zinc/52/34/37/573523437.db2.gz GMAOPDSGGXROBQ-UHFFFAOYSA-N 0 0 177.207 1.928 10 0 ADAERN COc1ccc(C2CCOCC2)nn1 259489438 573523301 /nfs/dbraw/zinc/52/33/01/573523301.db2.gz PULZJTQZGDNWQK-UHFFFAOYSA-N 0 0 194.234 1.379 10 0 ADAERN C[N@@H+]1CC[C@H](C(C)(C)C)[C@H]1C(=O)[O-] 257823314 573523302 /nfs/dbraw/zinc/52/33/02/573523302.db2.gz GJGNZLPWLHTBOO-YUMQZZPRSA-N 0 0 185.267 1.437 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1C[NH+]1CCCCCC1 258746373 573523307 /nfs/dbraw/zinc/52/33/07/573523307.db2.gz WRMCTONVLDILJL-UWVGGRQHSA-N 0 0 197.278 1.583 10 0 ADAERN C[C@](F)(CO)c1cccs1 257826715 573523440 /nfs/dbraw/zinc/52/34/40/573523440.db2.gz HHZBRXVPDWAOPB-ZETCQYMHSA-N 0 0 160.213 1.925 10 0 ADAERN COCCCC[C@H](O)c1cccnc1 308612615 573523317 /nfs/dbraw/zinc/52/33/17/573523317.db2.gz YTGHLRXLJJIDQZ-NSHDSACASA-N 0 0 195.262 1.932 10 0 ADAERN CCn1ncc(N)c1[C@@H]1CCCCO1 257826779 573523330 /nfs/dbraw/zinc/52/33/30/573523330.db2.gz HPXORZRUCWZUMU-VIFPVBQESA-N 0 0 195.266 1.727 10 0 ADAERN CC(=O)c1cn(CC(C)C)cn1 107329655 573523349 /nfs/dbraw/zinc/52/33/49/573523349.db2.gz UVGHLXUFNMAQJD-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN CCn1ncc(C(C)=O)c1F 259486764 573523351 /nfs/dbraw/zinc/52/33/51/573523351.db2.gz XTKNOJPLLCDODS-UHFFFAOYSA-N 0 0 156.160 1.245 10 0 ADAERN C[C@@H](C(N)=O)[C@@H]1C=CCCC1 238424972 573523362 /nfs/dbraw/zinc/52/33/62/573523362.db2.gz ODRSESIEZYYFLV-HTQZYQBOSA-N 0 0 153.225 1.464 10 0 ADAERN C=CC(=O)NC[C@]1(O)CCC[C@@H](C)C1 83469345 573523364 /nfs/dbraw/zinc/52/33/64/573523364.db2.gz LYIISEDSYDEPGP-KOLCDFICSA-N 0 0 197.278 1.230 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)[NH2+]1 257827050 573526142 /nfs/dbraw/zinc/52/61/42/573526142.db2.gz HUCIZGPJZOSVQX-DTWKUNHWSA-N 0 0 183.251 1.382 10 0 ADAERN Cc1cc(C)n([C@H]2CC[C@H](O)C2)n1 86621036 573526371 /nfs/dbraw/zinc/52/63/71/573526371.db2.gz VFWDCAQPUQSXRU-UWVGGRQHSA-N 0 0 180.251 1.586 10 0 ADAERN CC(=O)c1cncn1C(C)(C)C 107329672 573526458 /nfs/dbraw/zinc/52/64/58/573526458.db2.gz AUBLCEFDPYJKAC-UHFFFAOYSA-N 0 0 166.224 1.841 10 0 ADAERN CN(C(N)=O)c1ccc2[nH]cnc2c1 258743052 573526000 /nfs/dbraw/zinc/52/60/00/573526000.db2.gz SPVFNVKGBUUULF-UHFFFAOYSA-N 0 0 190.206 1.078 10 0 ADAERN C[C@H](O)CC(=O)N1CCCC[C@H]1C 238425039 573526007 /nfs/dbraw/zinc/52/60/07/573526007.db2.gz ZSMTYUYPNHHLAM-BDAKNGLRSA-N 0 0 185.267 1.158 10 0 ADAERN O=C1CC[C@H](OC2CCC2)C1 86619893 573526023 /nfs/dbraw/zinc/52/60/23/573526023.db2.gz QLYOPEGUCPRCNJ-VIFPVBQESA-N 0 0 154.209 1.677 10 0 ADAERN CCOC(=O)N[C@@H](C)[C@@H]1CCOC1 126349553 573524376 /nfs/dbraw/zinc/52/43/76/573524376.db2.gz SFCUGJNYWBLUSB-JGVFFNPUSA-N 0 0 187.239 1.158 10 0 ADAERN COc1ccc([C@@H]2CCNN2)cc1 257827044 573524377 /nfs/dbraw/zinc/52/43/77/573524377.db2.gz HTRBUKDKJSFSMR-JTQLQIEISA-N 0 0 178.235 1.234 10 0 ADAERN Nc1ncc(CCc2ccco2)o1 258750559 573524382 /nfs/dbraw/zinc/52/43/82/573524382.db2.gz KAVBGGBJMVLTPD-UHFFFAOYSA-N 0 0 178.191 1.635 10 0 ADAERN Cc1ccc([C@H](C)[NH3+])cc1C(=O)[O-] 238425188 573524390 /nfs/dbraw/zinc/52/43/90/573524390.db2.gz HOWMONNFUHFVCD-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN O=CC(=O)Nc1cc(F)ccc1F 258750619 573524446 /nfs/dbraw/zinc/52/44/46/573524446.db2.gz UGAJCCCVIPSUCG-UHFFFAOYSA-N 0 0 185.129 1.102 10 0 ADAERN CNc1cnc(C2CC2)[nH]c1=O 107328913 573524455 /nfs/dbraw/zinc/52/44/55/573524455.db2.gz OYPJWJAQBDZTAZ-UHFFFAOYSA-N 0 0 165.196 1.101 10 0 ADAERN CCC(=O)NC[C@]1(O)CCC[C@@H](C)C1 83470399 573524484 /nfs/dbraw/zinc/52/44/84/573524484.db2.gz ZGBABFQXXNDBJB-KOLCDFICSA-N 0 0 199.294 1.454 10 0 ADAERN Cc1cc2cccc(CON)c2[nH]1 258057107 573524517 /nfs/dbraw/zinc/52/45/17/573524517.db2.gz LMJNCIRCKYCMFG-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN CC(C)Oc1ncncc1C=O 107329494 573524530 /nfs/dbraw/zinc/52/45/30/573524530.db2.gz ZMSPUSUSIDQFLJ-UHFFFAOYSA-N 0 0 166.180 1.076 10 0 ADAERN C[C@@H](O)Cc1ccccc1C(C)(C)O 259489413 573524544 /nfs/dbraw/zinc/52/45/44/573524544.db2.gz PUCMLVBWLUATJF-SECBINFHSA-N 0 0 194.274 1.837 10 0 ADAERN C[C@@H]1CCC[C@](O)(Cn2cnnc2)C1 83470715 573524549 /nfs/dbraw/zinc/52/45/49/573524549.db2.gz GIKDVLGHBNPJIQ-NXEZZACHSA-N 0 0 195.266 1.219 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2cc(F)ccc2N1 258057051 573524564 /nfs/dbraw/zinc/52/45/64/573524564.db2.gz LMCHOVKUTCVGIV-GMSGAONNSA-N 0 0 195.237 1.933 10 0 ADAERN C[C@@H](O)C1([C@@H](O)c2ccccc2)CC1 238425202 573524568 /nfs/dbraw/zinc/52/45/68/573524568.db2.gz CNLTUCIWXKDYRZ-KOLCDFICSA-N 0 0 192.258 1.881 10 0 ADAERN C[C@]1(c2ccccc2F)NCCO1 258742263 573524604 /nfs/dbraw/zinc/52/46/04/573524604.db2.gz WDLHBYZMJRIZSI-JTQLQIEISA-N 0 0 181.210 1.618 10 0 ADAERN Cc1csc(NCC(C)(C)O)n1 83466566 573524607 /nfs/dbraw/zinc/52/46/07/573524607.db2.gz PXHZXYTWVYIFLK-UHFFFAOYSA-N 0 0 186.280 1.634 10 0 ADAERN CCC(=O)NC[C@@]1(O)CCC[C@H](C)C1 83470398 573524664 /nfs/dbraw/zinc/52/46/64/573524664.db2.gz ZGBABFQXXNDBJB-GXSJLCMTSA-N 0 0 199.294 1.454 10 0 ADAERN CCCc1nccn1[C@@H]1CC[C@H](O)C1 86621191 573524713 /nfs/dbraw/zinc/52/47/13/573524713.db2.gz LHBBECARVZAWCP-ZJUUUORDSA-N 0 0 194.278 1.922 10 0 ADAERN O=C([O-])C1=C(C2CCC2)C[NH2+]CC1 257823338 573524718 /nfs/dbraw/zinc/52/47/18/573524718.db2.gz GKELMNHKQVMHSS-UHFFFAOYSA-N 0 0 181.235 1.161 10 0 ADAERN C[C@@]12CCCC(=O)[C@@H](CC1)O2 238425587 573524720 /nfs/dbraw/zinc/52/47/20/573524720.db2.gz ZUXVBOJAZCFIFX-RKDXNWHRSA-N 0 0 154.209 1.677 10 0 ADAERN Cc1cn2c(C=O)csc2n1 107329609 573524740 /nfs/dbraw/zinc/52/47/40/573524740.db2.gz SEVCGPVTRQYDID-UHFFFAOYSA-N 0 0 166.205 1.517 10 0 ADAERN OC1CCC(c2ncco2)CC1 107330224 573524762 /nfs/dbraw/zinc/52/47/62/573524762.db2.gz WGZQKJGJPIBZMR-UHFFFAOYSA-N 0 0 167.208 1.693 10 0 ADAERN O[C@H]1CC[C@H](OCC2CC2)C1 86621566 573524767 /nfs/dbraw/zinc/52/47/67/573524767.db2.gz OPTPCOVIDCFDFY-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN Cc1nn([C@@H]2CC[C@@H](O)C2)c(C)c1C 86621109 573524776 /nfs/dbraw/zinc/52/47/76/573524776.db2.gz YAULDYKMWPZVGC-GHMZBOCLSA-N 0 0 194.278 1.894 10 0 ADAERN COc1c(N)cccc1SC 238426230 573524794 /nfs/dbraw/zinc/52/47/94/573524794.db2.gz MPZDOUACJBMXJZ-UHFFFAOYSA-N 0 0 169.249 1.999 10 0 ADAERN C[C@H](O)[C@@H](F)C1CCSCC1 257823361 573526041 /nfs/dbraw/zinc/52/60/41/573526041.db2.gz GLCDIUCUZRZBNY-POYBYMJQSA-N 0 0 178.272 1.849 10 0 ADAERN CCOCc1ccc(OC)cc1N 258057401 573524814 /nfs/dbraw/zinc/52/48/14/573524814.db2.gz GGCBJUZFJUCDEH-UHFFFAOYSA-N 0 0 181.235 1.814 10 0 ADAERN Cc1nn([C@H]2CC[C@@H](O)C2)c(C)c1C 86621110 573524817 /nfs/dbraw/zinc/52/48/17/573524817.db2.gz YAULDYKMWPZVGC-WDEREUQCSA-N 0 0 194.278 1.894 10 0 ADAERN COC[C@H](CO)Nc1ccc(C)cc1 308612679 573524823 /nfs/dbraw/zinc/52/48/23/573524823.db2.gz YWWBPXFTDAFSNP-NSHDSACASA-N 0 0 195.262 1.414 10 0 ADAERN COc1ccc(F)cc1[C@@H](N)N(C)C 259487465 573524842 /nfs/dbraw/zinc/52/48/42/573524842.db2.gz KYBRGOJWDLSDCR-JTQLQIEISA-N 0 0 198.241 1.353 10 0 ADAERN CC(=O)Cc1cncn1C(C)C 107329675 573524871 /nfs/dbraw/zinc/52/48/71/573524871.db2.gz GMOQLQPSDFKJAN-UHFFFAOYSA-N 0 0 166.224 1.596 10 0 ADAERN C[C@H](O)[C@H](F)C1CCSCC1 257823363 573524876 /nfs/dbraw/zinc/52/48/76/573524876.db2.gz GLCDIUCUZRZBNY-XPUUQOCRSA-N 0 0 178.272 1.849 10 0 ADAERN COCCCC[C@@H](O)c1ncccn1 308611873 573524888 /nfs/dbraw/zinc/52/48/88/573524888.db2.gz YRXZJXUYADTRKP-SECBINFHSA-N 0 0 196.250 1.327 10 0 ADAERN C[C@@]12CCCC(=O)N[C@H]1CCCC2=O 238425560 573524908 /nfs/dbraw/zinc/52/49/08/573524908.db2.gz KRVSHFCVPIBODB-GZMMTYOYSA-N 0 0 195.262 1.414 10 0 ADAERN C[C@H](O[C@H]1CC[C@H](O)C1)C(F)(F)F 86621671 573524929 /nfs/dbraw/zinc/52/49/29/573524929.db2.gz XGPNAILIPGUWQZ-ACZMJKKPSA-N 0 0 198.184 1.867 10 0 ADAERN CCC1CCC(O)(CNC#N)CC1 83469945 573524930 /nfs/dbraw/zinc/52/49/30/573524930.db2.gz DALGJHPSTRFOEP-UHFFFAOYSA-N 0 0 182.267 1.388 10 0 ADAERN Nc1cc([C@@H]2CCCS2)n[nH]c1=O 259487474 573524933 /nfs/dbraw/zinc/52/49/33/573524933.db2.gz PRDAOFSUQXDDSY-ZETCQYMHSA-N 0 0 197.263 1.333 10 0 ADAERN C[C@@H](O)C1([C@H](O)c2ccccc2)CC1 238425220 573524935 /nfs/dbraw/zinc/52/49/35/573524935.db2.gz CNLTUCIWXKDYRZ-MWLCHTKSSA-N 0 0 192.258 1.881 10 0 ADAERN C[C@H](O)Cc1ccccc1C(C)(C)O 259489416 573524944 /nfs/dbraw/zinc/52/49/44/573524944.db2.gz PUCMLVBWLUATJF-VIFPVBQESA-N 0 0 194.274 1.837 10 0 ADAERN O[C@H]1CC[C@H](OC2CCC2)C1 86621606 573524949 /nfs/dbraw/zinc/52/49/49/573524949.db2.gz WYTBFEGGLSQFQD-CBAPKCEASA-N 0 0 156.225 1.469 10 0 ADAERN CCn1cnc(C(=O)C(C)C)c1 107329666 573524956 /nfs/dbraw/zinc/52/49/56/573524956.db2.gz CSONSMVGLZIXCA-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN CCC(=O)NC[C@]1(O)CCC[C@H](C)C1 83470396 573524971 /nfs/dbraw/zinc/52/49/71/573524971.db2.gz ZGBABFQXXNDBJB-ONGXEEELSA-N 0 0 199.294 1.454 10 0 ADAERN Cc1ncc(C(=O)[O-])cc1[C@H](C)[NH3+] 257826993 573524978 /nfs/dbraw/zinc/52/49/78/573524978.db2.gz HRAMOVOGFFDBET-YFKPBYRVSA-N 0 0 180.207 1.108 10 0 ADAERN CCn1ncc(C=O)c1C(C)C 107329681 573524984 /nfs/dbraw/zinc/52/49/84/573524984.db2.gz YPWXBIOGBIKVNT-UHFFFAOYSA-N 0 0 166.224 1.839 10 0 ADAERN COc1c(N)ccc2[nH]cnc12 238425629 573526047 /nfs/dbraw/zinc/52/60/47/573526047.db2.gz JLNGMRPPUPNVQJ-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN CC(C)n1nnc(C2CCC2)c1N 257823413 573526048 /nfs/dbraw/zinc/52/60/48/573526048.db2.gz GMTPBLQHNQSRFA-UHFFFAOYSA-N 0 0 180.255 1.709 10 0 ADAERN O[C@@H]1CC[C@@H](OCC2CC2)C1 86621567 573525010 /nfs/dbraw/zinc/52/50/10/573525010.db2.gz OPTPCOVIDCFDFY-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN C=CC(=O)NC[C@@]1(O)CCC[C@@H](C)C1 83469342 573525029 /nfs/dbraw/zinc/52/50/29/573525029.db2.gz LYIISEDSYDEPGP-MWLCHTKSSA-N 0 0 197.278 1.230 10 0 ADAERN CC(C)(C)O[C@@H]1CC[C@H](O)C1 86621537 573525033 /nfs/dbraw/zinc/52/50/33/573525033.db2.gz IRCJPUBSTVLQPP-JGVFFNPUSA-N 0 0 158.241 1.715 10 0 ADAERN O[C@@H]1CC[C@H](OC2CCC2)C1 86621608 573525040 /nfs/dbraw/zinc/52/50/40/573525040.db2.gz WYTBFEGGLSQFQD-APPZFPTMSA-N 0 0 156.225 1.469 10 0 ADAERN Cc1nccn1[C@@H]1CC[C@H](O)C1 86621031 573525042 /nfs/dbraw/zinc/52/50/42/573525042.db2.gz BVHHUNUOVPVMIG-BDAKNGLRSA-N 0 0 166.224 1.277 10 0 ADAERN C=CC(=O)NC[C@@]1(O)CCC[C@H](C)C1 83469343 573525049 /nfs/dbraw/zinc/52/50/49/573525049.db2.gz LYIISEDSYDEPGP-GXSJLCMTSA-N 0 0 197.278 1.230 10 0 ADAERN O=C(OCCO)C1=CC[C@H]2C=CC[C@H]12 308614050 573525058 /nfs/dbraw/zinc/52/50/58/573525058.db2.gz ZIPLNOBFYDQTGX-BDAKNGLRSA-N 0 0 194.230 1.044 10 0 ADAERN Nc1cc([C@H]2CCCS2)n[nH]c1=O 259487472 573525083 /nfs/dbraw/zinc/52/50/83/573525083.db2.gz PRDAOFSUQXDDSY-SSDOTTSWSA-N 0 0 197.263 1.333 10 0 ADAERN CC(C)(C)O[C@H]1CC[C@H](O)C1 86621538 573525101 /nfs/dbraw/zinc/52/51/01/573525101.db2.gz IRCJPUBSTVLQPP-YUMQZZPRSA-N 0 0 158.241 1.715 10 0 ADAERN COC(=O)[C@H](C)[C@H]1CCCOC1 259613997 573525108 /nfs/dbraw/zinc/52/51/08/573525108.db2.gz FCZICCWGYJRKIZ-SFYZADRCSA-N 0 0 172.224 1.222 10 0 ADAERN C[C@@H](Sc1ccsc1)C(N)=O 238424874 573525117 /nfs/dbraw/zinc/52/51/17/573525117.db2.gz LIDQJOMPUMSVHV-RXMQYKEDSA-N 0 0 187.289 1.714 10 0 ADAERN C[C@@]1(c2nc(C=O)co2)CCCOC1 258056929 573526149 /nfs/dbraw/zinc/52/61/49/573526149.db2.gz KLCSWGYQZIFQDJ-SNVBAGLBSA-N 0 0 195.218 1.555 10 0 ADAERN CC(=O)c1cn(C(C)(C)C)cn1 107329660 573526151 /nfs/dbraw/zinc/52/61/51/573526151.db2.gz NEZSZKWLKRRULE-UHFFFAOYSA-N 0 0 166.224 1.841 10 0 ADAERN CCCCNc1nc(N)nc(CC)n1 308614088 573525192 /nfs/dbraw/zinc/52/51/92/573525192.db2.gz ZJEWNMUFUMHYSG-UHFFFAOYSA-N 0 0 195.270 1.228 10 0 ADAERN COCc1ccc(C=O)c(O)c1 107329371 573525276 /nfs/dbraw/zinc/52/52/76/573525276.db2.gz XBOFRBUDVGJEMX-UHFFFAOYSA-N 0 0 166.176 1.351 10 0 ADAERN CNc1nnc(C2CCC2)n1C 107330053 573525317 /nfs/dbraw/zinc/52/53/17/573525317.db2.gz RKBSUDBMQAJSQP-UHFFFAOYSA-N 0 0 166.228 1.124 10 0 ADAERN COc1ccc(C=O)c2oncc12 257827048 573525337 /nfs/dbraw/zinc/52/53/37/573525337.db2.gz HTUBGMMUMGFXFQ-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN CCOc1cc(C(C)=O)ncn1 107329403 573525342 /nfs/dbraw/zinc/52/53/42/573525342.db2.gz XCGUASLOGJYHBD-UHFFFAOYSA-N 0 0 166.180 1.078 10 0 ADAERN Cc1ccn([C@@H]2CC[C@@H](O)C2)n1 86621217 573525360 /nfs/dbraw/zinc/52/53/60/573525360.db2.gz VDIACTLNVVEORL-RKDXNWHRSA-N 0 0 166.224 1.277 10 0 ADAERN O=C1CC[C@H](C(=O)c2ccncc2)C1 86622470 573525377 /nfs/dbraw/zinc/52/53/77/573525377.db2.gz WPHMHUFJBZAAHC-VIFPVBQESA-N 0 0 189.214 1.634 10 0 ADAERN CO[P@H](=O)C[C@@H](O)C(C)(C)C 238426074 573525423 /nfs/dbraw/zinc/52/54/23/573525423.db2.gz PGZBYJHKOFLRBL-ZCFIWIBFSA-N 0 0 180.184 1.515 10 0 ADAERN Cc1c(-c2ccncc2)c1=O 258747570 573525432 /nfs/dbraw/zinc/52/54/32/573525432.db2.gz JVSQWDZGQHIRCV-UHFFFAOYSA-N 0 0 145.161 1.293 10 0 ADAERN Nc1cnn(-c2ccccc2F)c1F 258056925 573525450 /nfs/dbraw/zinc/52/54/50/573525450.db2.gz KKZOVXMWEVMBQR-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN COc1c(N)cc(F)nc1C(F)F 238424937 573525462 /nfs/dbraw/zinc/52/54/62/573525462.db2.gz QRLITVQMVQSFNQ-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN O=C1CC[C@@H](C(=O)C2CCOCC2)C1 86622443 573525492 /nfs/dbraw/zinc/52/54/92/573525492.db2.gz BJJHHTMEDBZZQB-SECBINFHSA-N 0 0 196.246 1.351 10 0 ADAERN COC(=O)[C@H](C)[C@@H]1CCCOC1 259613992 573525512 /nfs/dbraw/zinc/52/55/12/573525512.db2.gz FCZICCWGYJRKIZ-HTQZYQBOSA-N 0 0 172.224 1.222 10 0 ADAERN O[C@@H]1CC[C@H](Oc2ccccc2)C1 86621465 573525532 /nfs/dbraw/zinc/52/55/32/573525532.db2.gz HVVQXSMKLRTQTE-KOLCDFICSA-N 0 0 178.231 1.979 10 0 ADAERN Clc1ccc(C[C@@H]2CCOC2)nn1 259487459 573525537 /nfs/dbraw/zinc/52/55/37/573525537.db2.gz PQWNBKFPJPAUGW-ZETCQYMHSA-N 0 0 198.653 1.709 10 0 ADAERN O=C1CC[C@@H](C(=O)C2CC2)C1 86622451 573525559 /nfs/dbraw/zinc/52/55/59/573525559.db2.gz WYIZUJMLACSZQG-SSDOTTSWSA-N 0 0 152.193 1.335 10 0 ADAERN C[C@@H]1CC2(CC=C1CO)OCCO2 238426222 573525563 /nfs/dbraw/zinc/52/55/63/573525563.db2.gz DUOLWTZPUVCQON-MRVPVSSYSA-N 0 0 184.235 1.078 10 0 ADAERN CCc1nccn1[C@H]1CC[C@H](O)C1 86621128 573525566 /nfs/dbraw/zinc/52/55/66/573525566.db2.gz ORUJMDWMMNMNSG-IUCAKERBSA-N 0 0 180.251 1.531 10 0 ADAERN C[C@H](O)[C@H]1C[C@@]12CC2(C)C 238425680 573525586 /nfs/dbraw/zinc/52/55/86/573525586.db2.gz ZHGJWNLEXZPEPC-LKEWCRSYSA-N 0 0 140.226 1.803 10 0 ADAERN O=C1CCc2nc3ccccc3n2C1 257823420 573525597 /nfs/dbraw/zinc/52/55/97/573525597.db2.gz GNDWOUCBRWBTCY-UHFFFAOYSA-N 0 0 186.214 1.552 10 0 ADAERN O=C1CC[C@@H](C(=O)c2ccccn2)C1 86622433 573525606 /nfs/dbraw/zinc/52/56/06/573525606.db2.gz GMKPIWMEVQNUDA-MRVPVSSYSA-N 0 0 189.214 1.634 10 0 ADAERN Nc1nc(COc2cccnc2)co1 258057694 573525629 /nfs/dbraw/zinc/52/56/29/573525629.db2.gz GBULNCPSQLALLY-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN CCn1cnc([C@](C)(O)[C@@H](C)OC)c1 308613300 573525649 /nfs/dbraw/zinc/52/56/49/573525649.db2.gz ZDYXIXGSBBEANR-PSASIEDQSA-N 0 0 198.266 1.145 10 0 ADAERN Cn1nc2c(cnc3ccccc32)c1N 308606927 573525658 /nfs/dbraw/zinc/52/56/58/573525658.db2.gz UCEHRCYFQXRCSI-UHFFFAOYSA-N 0 0 198.229 1.486 10 0 ADAERN CC(C)OCc1ccc(O)c(N)c1 258057351 573525671 /nfs/dbraw/zinc/52/56/71/573525671.db2.gz GBDNMMDVZWXYGJ-UHFFFAOYSA-N 0 0 181.235 1.899 10 0 ADAERN CC(C[C@H](C)O)=C1CC1 238426214 573525676 /nfs/dbraw/zinc/52/56/76/573525676.db2.gz AJAZPBWJAPCEAV-ZETCQYMHSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@@H]1Nc2ccccc2N(C=O)[C@@H]1C 238425207 573525685 /nfs/dbraw/zinc/52/56/85/573525685.db2.gz QBFOBFBUYYMDFT-DTWKUNHWSA-N 0 0 190.246 1.852 10 0 ADAERN CCCO[C@H]1CC[C@@H](O)C1 86621584 573525687 /nfs/dbraw/zinc/52/56/87/573525687.db2.gz JLLYVNSNWYSRLJ-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@H]1C=CC2(C1)C(=O)CCC2=O 238426160 573525690 /nfs/dbraw/zinc/52/56/90/573525690.db2.gz WKNRXFVTXXVOGE-ZETCQYMHSA-N 0 0 164.204 1.501 10 0 ADAERN Clc1ccc(C[C@H]2CCOC2)nn1 259487457 573525715 /nfs/dbraw/zinc/52/57/15/573525715.db2.gz PQWNBKFPJPAUGW-SSDOTTSWSA-N 0 0 198.653 1.709 10 0 ADAERN C[C@@H]([NH3+])c1cc(O)cc(C(=O)[O-])c1 238425087 573525745 /nfs/dbraw/zinc/52/57/45/573525745.db2.gz ICJYSQQKLMZEQM-RXMQYKEDSA-N 0 0 181.191 1.110 10 0 ADAERN CCCO[C@@H]1CC[C@H](O)C1 86621581 573525750 /nfs/dbraw/zinc/52/57/50/573525750.db2.gz JLLYVNSNWYSRLJ-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H]1Nc2ccccc2SC[C@H]1O 238425521 573525753 /nfs/dbraw/zinc/52/57/53/573525753.db2.gz YNUIAJDRARTDLB-IONNQARKSA-N 0 0 195.287 1.954 10 0 ADAERN COc1nccc(CO)c1C(F)F 238425331 573525790 /nfs/dbraw/zinc/52/57/90/573525790.db2.gz ZNPRGEKUSGGRAV-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN C[C@H](O)CC(=O)N1CCCC[C@@H]1C 238425024 573525776 /nfs/dbraw/zinc/52/57/76/573525776.db2.gz ZSMTYUYPNHHLAM-IUCAKERBSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@@H](O)C1CCCC(=O)CCC1 238424899 573525836 /nfs/dbraw/zinc/52/58/36/573525836.db2.gz OFMKZZRQLYHLEA-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H](O)[C@@H](F)C1CCSCC1 257823359 573525843 /nfs/dbraw/zinc/52/58/43/573525843.db2.gz GLCDIUCUZRZBNY-HTRCEHHLSA-N 0 0 178.272 1.849 10 0 ADAERN CN(CC(C)(C)CO)c1cc[nH]c1 258750595 573525854 /nfs/dbraw/zinc/52/58/54/573525854.db2.gz GILAIGONBXCAOA-UHFFFAOYSA-N 0 0 182.267 1.469 10 0 ADAERN CCCCO[C@H]1CC[C@@H](O)C1 86621588 573525881 /nfs/dbraw/zinc/52/58/81/573525881.db2.gz GVBBLWNXYHOTMJ-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CC(=O)c1cnc([C@H]2CCOC2)o1 258057746 573525887 /nfs/dbraw/zinc/52/58/87/573525887.db2.gz LGACHNOVFSQGJL-ZETCQYMHSA-N 0 0 181.191 1.381 10 0 ADAERN CCOC(=O)[C@H](C)Cc1cnoc1 259614019 573525890 /nfs/dbraw/zinc/52/58/90/573525890.db2.gz FDFBPLCZOILYIX-SSDOTTSWSA-N 0 0 183.207 1.416 10 0 ADAERN CC(C)(F)c1cnoc1 257823588 573525893 /nfs/dbraw/zinc/52/58/93/573525893.db2.gz FPDNLKBUKKXIAK-UHFFFAOYSA-N 0 0 129.134 1.879 10 0 ADAERN CCC[C@H](O)CSCC 83484855 573525895 /nfs/dbraw/zinc/52/58/95/573525895.db2.gz AHICEDSVMUCDLG-ZETCQYMHSA-N 0 0 148.271 1.901 10 0 ADAERN CN(CC(F)(F)F)[C@H]1CC[C@H](O)C1 86620476 573525897 /nfs/dbraw/zinc/52/58/97/573525897.db2.gz OSPYDTBQHAIUQT-BQBZGAKWSA-N 0 0 197.200 1.394 10 0 ADAERN C[C@H]1C=CCC2(C1)OCCO2 238426184 573525917 /nfs/dbraw/zinc/52/59/17/573525917.db2.gz VBHIXWYYMVWOFZ-QMMMGPOBSA-N 0 0 154.209 1.716 10 0 ADAERN O[C@H]1CC[C@@H](OCC(F)(F)F)C1 86621329 573525944 /nfs/dbraw/zinc/52/59/44/573525944.db2.gz LQFJRULQHCMITI-NTSWFWBYSA-N 0 0 184.157 1.479 10 0 ADAERN CN(C)c1cc(C(=O)CN)ccc1F 259487480 573525947 /nfs/dbraw/zinc/52/59/47/573525947.db2.gz PRFXEKAKTRIZMJ-UHFFFAOYSA-N 0 0 196.225 1.033 10 0 ADAERN Nc1nc(C2CCC2)ncc1C=O 258745823 573525950 /nfs/dbraw/zinc/52/59/50/573525950.db2.gz PNFOKLWKAZABOH-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN CC(=O)c1ncc2c(O)cccn12 257823421 573525967 /nfs/dbraw/zinc/52/59/67/573525967.db2.gz GNDWRJFNYYBQJF-UHFFFAOYSA-N 0 0 176.175 1.243 10 0 ADAERN CC(=O)C1(C(C)=O)C[C@H]1C 238426073 573526067 /nfs/dbraw/zinc/52/60/67/573526067.db2.gz KZRYRTOFLREEAP-RXMQYKEDSA-N 0 0 140.182 1.191 10 0 ADAERN C[C@@]12C(=O)CCC[C@@]1(C)OC2=O 238426132 573526442 /nfs/dbraw/zinc/52/64/42/573526442.db2.gz YVJBVXNMBGAKOD-BDAKNGLRSA-N 0 0 168.192 1.061 10 0 ADAERN C=Cc1nc(CSCC)no1 83484208 573526098 /nfs/dbraw/zinc/52/60/98/573526098.db2.gz BZQRXQLTIBLZRI-UHFFFAOYSA-N 0 0 170.237 1.966 10 0 ADAERN Cc1ccn([C@H]2CC[C@H](O)C2)n1 86621216 573526131 /nfs/dbraw/zinc/52/61/31/573526131.db2.gz VDIACTLNVVEORL-IUCAKERBSA-N 0 0 166.224 1.277 10 0 ADAERN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)[NH2+]1 257827049 573526132 /nfs/dbraw/zinc/52/61/32/573526132.db2.gz HUCIZGPJZOSVQX-BDAKNGLRSA-N 0 0 183.251 1.382 10 0 ADAERN CCSCc1noc(Cl)n1 83485982 573526200 /nfs/dbraw/zinc/52/62/00/573526200.db2.gz HHIDMPVGXIWHFD-UHFFFAOYSA-N 0 0 178.644 1.976 10 0 ADAERN CCSc1ccc(NCNN)cc1 259111192 573526213 /nfs/dbraw/zinc/52/62/13/573526213.db2.gz PEVQIAOBBITLJQ-UHFFFAOYSA-N 0 0 197.307 1.631 10 0 ADAERN CCSC[C@@H](O)CC1CC1 83484984 573526228 /nfs/dbraw/zinc/52/62/28/573526228.db2.gz KLLBRIMOLAPVIU-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN CCCSC[C@H](O)C1CC1 83486977 573526239 /nfs/dbraw/zinc/52/62/39/573526239.db2.gz RFQGOXWRZHATBG-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN CC(C)[C@H]1COC(c2cccn2C)=N1 4970507 573526240 /nfs/dbraw/zinc/52/62/40/573526240.db2.gz BTRINCQKMHMNSF-SECBINFHSA-N 0 0 192.262 1.827 10 0 ADAERN Cc1ncn([C@H]2CC[C@@H](O)C2)c1C 86621146 573526259 /nfs/dbraw/zinc/52/62/59/573526259.db2.gz NTCJJIRFSNSVEG-VHSXEESVSA-N 0 0 180.251 1.586 10 0 ADAERN C[C@H](O)C[C@H]1Cc2cc(F)ccc2N1 258057061 573526261 /nfs/dbraw/zinc/52/62/61/573526261.db2.gz LMCHOVKUTCVGIV-XVKPBYJWSA-N 0 0 195.237 1.933 10 0 ADAERN CCSCc1nccc(=O)[nH]1 83484461 573526277 /nfs/dbraw/zinc/52/62/77/573526277.db2.gz GLFBTLLUFHTDPY-UHFFFAOYSA-N 0 0 170.237 1.023 10 0 ADAERN Cc1ncn([C@@H]2CC[C@@H](O)C2)c1C 86621145 573526279 /nfs/dbraw/zinc/52/62/79/573526279.db2.gz NTCJJIRFSNSVEG-NXEZZACHSA-N 0 0 180.251 1.586 10 0 ADAERN C[C@H](O)CC(=O)N[C@H]1CCCC[C@@H]1C 238425242 573526285 /nfs/dbraw/zinc/52/62/85/573526285.db2.gz LKFIDECXUYOLCV-GUBZILKMSA-N 0 0 199.294 1.452 10 0 ADAERN OCCOc1c(F)cc(F)cc1F 259485984 573526289 /nfs/dbraw/zinc/52/62/89/573526289.db2.gz IGXKEEGZBFOUNW-UHFFFAOYSA-N 0 0 192.136 1.475 10 0 ADAERN Cn1c(N)nnc1C1CCCC1 107330056 573526291 /nfs/dbraw/zinc/52/62/91/573526291.db2.gz MOYRCDZBQHKZHQ-UHFFFAOYSA-N 0 0 166.228 1.055 10 0 ADAERN CCCCN1CCC(=O)C1(C)C 258750498 573526298 /nfs/dbraw/zinc/52/62/98/573526298.db2.gz JXSLMDGUKATRTE-UHFFFAOYSA-N 0 0 169.268 1.840 10 0 ADAERN O=C1COc2ccccc2N1CCF 75321648 573526301 /nfs/dbraw/zinc/52/63/01/573526301.db2.gz CMPPESHPGSRCJK-UHFFFAOYSA-N 0 0 195.193 1.382 10 0 ADAERN CCCSCc1noc(N)n1 83487983 573526310 /nfs/dbraw/zinc/52/63/10/573526310.db2.gz WBGXOOSZCKXAFH-UHFFFAOYSA-N 0 0 173.241 1.295 10 0 ADAERN C[C@@H]1SC(=S)N(C)[C@H](O)[C@@H]1C 238425147 573526320 /nfs/dbraw/zinc/52/63/20/573526320.db2.gz TWPNULLVUMXIAY-NGJCXOISSA-N 0 0 191.321 1.293 10 0 ADAERN COc1ccc(F)cc1[C@H](N)N(C)C 259487467 573526372 /nfs/dbraw/zinc/52/63/72/573526372.db2.gz KYBRGOJWDLSDCR-SNVBAGLBSA-N 0 0 198.241 1.353 10 0 ADAERN Cc1cnn([C@@H]2CC[C@@H](O)C2)c1 86621097 573526358 /nfs/dbraw/zinc/52/63/58/573526358.db2.gz GLRBZYVZTORLNP-RKDXNWHRSA-N 0 0 166.224 1.277 10 0 ADAERN C[NH2+][C@H](c1ccc[nH]1)C1(C(=O)[O-])CC1 259489589 573526360 /nfs/dbraw/zinc/52/63/60/573526360.db2.gz REVRHZKIALRCJM-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN COC(=O)c1cc(NCCF)ccn1 308606584 573526364 /nfs/dbraw/zinc/52/63/64/573526364.db2.gz WQTYYGJWTWWMIT-UHFFFAOYSA-N 0 0 198.197 1.250 10 0 ADAERN CC(C)CO[C@@H]1CC[C@@H](O)C1 86621507 573526376 /nfs/dbraw/zinc/52/63/76/573526376.db2.gz UWFGPNIBQLRDMH-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN CCCNc1cc(N(C)C#N)ncn1 258748347 573526384 /nfs/dbraw/zinc/52/63/84/573526384.db2.gz OKDGEPJGHBODAA-UHFFFAOYSA-N 0 0 191.238 1.216 10 0 ADAERN CC(=O)c1c[nH]nc1C(C)(C)C 107329623 573526390 /nfs/dbraw/zinc/52/63/90/573526390.db2.gz VFSUZFTUZGMGLM-UHFFFAOYSA-N 0 0 166.224 1.910 10 0 ADAERN CCc1nccn1[C@H]1CC[C@@H](O)C1 86621130 573526424 /nfs/dbraw/zinc/52/64/24/573526424.db2.gz ORUJMDWMMNMNSG-DTWKUNHWSA-N 0 0 180.251 1.531 10 0 ADAERN C[N@@H+]1CCC[C@@H]1COc1cnoc1 258406329 573526430 /nfs/dbraw/zinc/52/64/30/573526430.db2.gz IPYFSVJQGFDDFL-MRVPVSSYSA-N 0 0 182.223 1.148 10 0 ADAERN OCc1cc(C[C@H]2CCCOC2)on1 258406332 573527371 /nfs/dbraw/zinc/52/73/71/573527371.db2.gz CRFOGTOBUZBNOT-MRVPVSSYSA-N 0 0 197.234 1.136 10 0 ADAERN CCCc1nccn1[C@H]1CC[C@@H](O)C1 86621194 573528517 /nfs/dbraw/zinc/52/85/17/573528517.db2.gz LHBBECARVZAWCP-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN CCOC(=O)NC1CCC1 78563708 573529021 /nfs/dbraw/zinc/52/90/21/573529021.db2.gz FLPIZMHPDPCTFC-UHFFFAOYSA-N 0 0 143.186 1.285 10 0 ADAERN C[C@@H]1C[C@@H](O)C=C2CCCC[C@@]21CO 238430074 573529904 /nfs/dbraw/zinc/52/99/04/573529904.db2.gz CBGUPDMZXPCJPD-JLLWLGSASA-N 0 0 196.290 1.866 10 0 ADAERN CCC(=O)N[C@@H](C)CC1CC1 78570308 573529909 /nfs/dbraw/zinc/52/99/09/573529909.db2.gz MBMXKWNMFUOJQJ-ZETCQYMHSA-N 0 0 155.241 1.701 10 0 ADAERN CCOC(=O)[C@@H](C)OCC(F)F 130394521 573527380 /nfs/dbraw/zinc/52/73/80/573527380.db2.gz RHZLPEWGQHQGJF-RXMQYKEDSA-N 0 0 182.166 1.220 10 0 ADAERN CCSCc1nc(Cl)n[nH]1 83486425 573530367 /nfs/dbraw/zinc/53/03/67/573530367.db2.gz ONZUNLMKZZLEEJ-UHFFFAOYSA-N 0 0 177.660 1.711 10 0 ADAERN c1nocc1OC[C@H]1CCCCO1 258743393 573527410 /nfs/dbraw/zinc/52/74/10/573527410.db2.gz WGOHINYOCHPYJH-MRVPVSSYSA-N 0 0 183.207 1.623 10 0 ADAERN Cc1ccn([C@H]2CC[C@@H](O)C2)n1 86621218 573527420 /nfs/dbraw/zinc/52/74/20/573527420.db2.gz VDIACTLNVVEORL-DTWKUNHWSA-N 0 0 166.224 1.277 10 0 ADAERN C/C=C/CO[C@H]1CCC(=O)C1 86619895 573527430 /nfs/dbraw/zinc/52/74/30/573527430.db2.gz ZCXABPBJRYOXCP-HPOULIHZSA-N 0 0 154.209 1.701 10 0 ADAERN c1cnnc(CC2CCOCC2)c1 259492928 573527440 /nfs/dbraw/zinc/52/74/40/573527440.db2.gz QCUARSJWHSWJNS-UHFFFAOYSA-N 0 0 178.235 1.446 10 0 ADAERN C[C@@H]1CNc2cccc(O)c2NC1=O 258402370 573527464 /nfs/dbraw/zinc/52/74/64/573527464.db2.gz CJQATRLGSMXTJQ-ZCFIWIBFSA-N 0 0 192.218 1.392 10 0 ADAERN COC(=O)[C@]12CCC[C@H]1C[C@H](O)C2 257827504 573527475 /nfs/dbraw/zinc/52/74/75/573527475.db2.gz HXZZMXMUCIDVPK-NRPADANISA-N 0 0 184.235 1.101 10 0 ADAERN Cc1ncn([C@H]2CC[C@H](O)C2)c1C 86621144 573527476 /nfs/dbraw/zinc/52/74/76/573527476.db2.gz NTCJJIRFSNSVEG-UWVGGRQHSA-N 0 0 180.251 1.586 10 0 ADAERN Cc1ccc([C@](C)(F)CO)o1 257827221 573527487 /nfs/dbraw/zinc/52/74/87/573527487.db2.gz HQYKANVAKQYBIU-MRVPVSSYSA-N 0 0 158.172 1.765 10 0 ADAERN CCSCc1nsc(N)n1 83484455 573527494 /nfs/dbraw/zinc/52/74/94/573527494.db2.gz QXBRBPPQGYOBHF-UHFFFAOYSA-N 0 0 175.282 1.373 10 0 ADAERN C[C@@]1(C(=O)[O-])CCC[C@H]2CCCC[N@@H+]21 257827218 573527506 /nfs/dbraw/zinc/52/75/06/573527506.db2.gz HXBDAJGIRJFLOW-KOLCDFICSA-N 0 0 197.278 1.868 10 0 ADAERN C[C@H]1CN[C@@](C)(c2ccco2)O1 258742346 573527523 /nfs/dbraw/zinc/52/75/23/573527523.db2.gz WDLPEJZPLYOHQS-IONNQARKSA-N 0 0 167.208 1.461 10 0 ADAERN CCSCc1noc(NC)n1 83486147 573527595 /nfs/dbraw/zinc/52/75/95/573527595.db2.gz JLUBSZBRAUXYBA-UHFFFAOYSA-N 0 0 173.241 1.364 10 0 ADAERN O[C@H]1CC[C@@H](OCC2CC2)C1 86621565 573527543 /nfs/dbraw/zinc/52/75/43/573527543.db2.gz OPTPCOVIDCFDFY-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN OCC[C@@H]1CCNc2ccc(O)cc21 257827233 573527550 /nfs/dbraw/zinc/52/75/50/573527550.db2.gz HXDKPHWOYKWTKD-QMMMGPOBSA-N 0 0 193.246 1.674 10 0 ADAERN CC(C)C(=O)N[C@@H](C)Cc1ccoc1 585243501 573530375 /nfs/dbraw/zinc/53/03/75/573530375.db2.gz BMDTYVDGONCCDM-VIFPVBQESA-N 0 0 195.262 1.983 10 0 ADAERN CCSC[C@@H](O)[C@@H]1CCOC1 83484778 573527582 /nfs/dbraw/zinc/52/75/82/573527582.db2.gz RJILAEOTSBOFBO-HTQZYQBOSA-N 0 0 176.281 1.137 10 0 ADAERN C[C@@H]1O[C@@H]2CCCC[C@@H]2CNC1=S 238429226 573530380 /nfs/dbraw/zinc/53/03/80/573530380.db2.gz UCRASVRHRMZSBS-DJLDLDEBSA-N 0 0 199.319 1.881 10 0 ADAERN O[C@H]1CC[C@@H](OC2CCC2)C1 86621605 573527649 /nfs/dbraw/zinc/52/76/49/573527649.db2.gz WYTBFEGGLSQFQD-IONNQARKSA-N 0 0 156.225 1.469 10 0 ADAERN O=Cc1nncc(C2CCCCC2)n1 257827670 573527654 /nfs/dbraw/zinc/52/76/54/573527654.db2.gz IBTYPZJJFSHKPN-UHFFFAOYSA-N 0 0 191.234 1.732 10 0 ADAERN C/C=C/CO[C@@H]1CCC(=O)C1 86619894 573527656 /nfs/dbraw/zinc/52/76/56/573527656.db2.gz ZCXABPBJRYOXCP-GKQMSVHHSA-N 0 0 154.209 1.701 10 0 ADAERN Cc1nccn1[C@@H]1CC[C@@H](O)C1 86621033 573527660 /nfs/dbraw/zinc/52/76/60/573527660.db2.gz BVHHUNUOVPVMIG-RKDXNWHRSA-N 0 0 166.224 1.277 10 0 ADAERN CONCc1c(C)ccc2c1OCO2 258059280 573527675 /nfs/dbraw/zinc/52/76/75/573527675.db2.gz LGODQGNXEUZBFS-UHFFFAOYSA-N 0 0 195.218 1.375 10 0 ADAERN C[C@H](ON)[C@H]1CCCSC1 259490644 573527684 /nfs/dbraw/zinc/52/76/84/573527684.db2.gz PKLHFNXAERZLNN-BQBZGAKWSA-N 0 0 161.270 1.408 10 0 ADAERN CN(CCC(C)(C)C)C(=O)C=O 258748525 573527687 /nfs/dbraw/zinc/52/76/87/573527687.db2.gz TYMUZLXHSGHKAH-UHFFFAOYSA-N 0 0 171.240 1.080 10 0 ADAERN [NH3+]CCc1c(O)ccc(F)c1F 107333308 573527696 /nfs/dbraw/zinc/52/76/96/573527696.db2.gz LPIOCLMEBCWWJA-UHFFFAOYSA-N 0 0 173.162 1.172 10 0 ADAERN CC[C@@]1(CO)Cc2ccc(F)cc2N1 258052067 573527699 /nfs/dbraw/zinc/52/76/99/573527699.db2.gz FRVFMSITUDKZEE-NSHDSACASA-N 0 0 195.237 1.935 10 0 ADAERN c1nocc1OC[C@@H]1CCCCO1 258743411 573527753 /nfs/dbraw/zinc/52/77/53/573527753.db2.gz WGOHINYOCHPYJH-QMMMGPOBSA-N 0 0 183.207 1.623 10 0 ADAERN Cc1ccc([C@H]2OC[C@@H](CO)O2)cc1 6071115 573527755 /nfs/dbraw/zinc/52/77/55/573527755.db2.gz DPJJKJUHERNDSZ-MNOVXSKESA-N 0 0 194.230 1.401 10 0 endogenous,in-man ADAERN CC(C)CO[C@@H]1CC[C@H](O)C1 86621505 573527793 /nfs/dbraw/zinc/52/77/93/573527793.db2.gz UWFGPNIBQLRDMH-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN NOCC(F)(F)[C@H]1CCCSC1 258052568 573527795 /nfs/dbraw/zinc/52/77/95/573527795.db2.gz KDFBYQXGSZZNKE-LURJTMIESA-N 0 0 197.250 1.655 10 0 ADAERN Nc1ccc2c(c1)N1CCC[C@@H]1C2 257827480 573527800 /nfs/dbraw/zinc/52/78/00/573527800.db2.gz HWYJUALYOIHWOK-SNVBAGLBSA-N 0 0 174.247 1.794 10 0 ADAERN O[C@@H]1CC[C@@H](OC2CCC2)C1 86621607 573527801 /nfs/dbraw/zinc/52/78/01/573527801.db2.gz WYTBFEGGLSQFQD-VXNVDRBHSA-N 0 0 156.225 1.469 10 0 ADAERN CCCc1nccn1[C@@H]1CC[C@@H](O)C1 86621193 573527812 /nfs/dbraw/zinc/52/78/12/573527812.db2.gz LHBBECARVZAWCP-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN C[C@H](O)C(F)(F)C[C@@H]1CCOC1 257827952 573527819 /nfs/dbraw/zinc/52/78/19/573527819.db2.gz IAMGXXGMHCEVQS-BQBZGAKWSA-N 0 0 180.194 1.429 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH3+])c1ccncc1 259489261 573527824 /nfs/dbraw/zinc/52/78/24/573527824.db2.gz QDEZBOPDXWKKIT-DTWKUNHWSA-N 0 0 194.234 1.192 10 0 ADAERN CC(C)CO[C@H]1CC[C@@H](O)C1 86621508 573527840 /nfs/dbraw/zinc/52/78/40/573527840.db2.gz UWFGPNIBQLRDMH-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H]1Nc2ncnc(Cl)c2N1 238426360 573527858 /nfs/dbraw/zinc/52/78/58/573527858.db2.gz ITWBYBJOEIJICN-VKHMYHEASA-N 0 0 170.603 1.313 10 0 ADAERN OCC[C@H]1CCNc2ccc(O)cc21 257827231 573527866 /nfs/dbraw/zinc/52/78/66/573527866.db2.gz HXDKPHWOYKWTKD-MRVPVSSYSA-N 0 0 193.246 1.674 10 0 ADAERN O[C@@H]1CC[C@H](OCC(F)(F)F)C1 86621326 573527871 /nfs/dbraw/zinc/52/78/71/573527871.db2.gz LQFJRULQHCMITI-RITPCOANSA-N 0 0 184.157 1.479 10 0 ADAERN CCCO[C@@H]1CC[C@@H](O)C1 86621583 573527875 /nfs/dbraw/zinc/52/78/75/573527875.db2.gz JLLYVNSNWYSRLJ-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1ccccc1[C@@](C)(O)CON 257827517 573527907 /nfs/dbraw/zinc/52/79/07/573527907.db2.gz HYRUDTGPCPPHID-JTQLQIEISA-N 0 0 181.235 1.093 10 0 ADAERN C[C@@H]1CC2(CC[C@@H]1CO)OCCO2 238426258 573527910 /nfs/dbraw/zinc/52/79/10/573527910.db2.gz ZRJYQIWIJHUYDE-RKDXNWHRSA-N 0 0 186.251 1.158 10 0 ADAERN NC(N)c1ccc(Cl)s1 259491428 573527916 /nfs/dbraw/zinc/52/79/16/573527916.db2.gz SYFGUVQXSCYANY-UHFFFAOYSA-N 0 0 162.645 1.318 10 0 ADAERN Cc1cnn([C@H]2CC[C@H](O)C2)c1 86621096 573527961 /nfs/dbraw/zinc/52/79/61/573527961.db2.gz GLRBZYVZTORLNP-IUCAKERBSA-N 0 0 166.224 1.277 10 0 ADAERN CC(C)(C)O[C@H]1CC[C@@H](O)C1 86621540 573527969 /nfs/dbraw/zinc/52/79/69/573527969.db2.gz IRCJPUBSTVLQPP-SFYZADRCSA-N 0 0 158.241 1.715 10 0 ADAERN Cn1nc([C@H]2CCCSC2)cc1N 258058646 573527981 /nfs/dbraw/zinc/52/79/81/573527981.db2.gz KOMIVSHAKYNFPU-ZETCQYMHSA-N 0 0 197.307 1.613 10 0 ADAERN O=C1OCCCN1c1ccc(O)cc1 257827174 573527990 /nfs/dbraw/zinc/52/79/90/573527990.db2.gz HWCUSEIFSHRRAK-UHFFFAOYSA-N 0 0 193.202 1.739 10 0 ADAERN CCc1nnc(NC2CC2)s1 107332131 573527992 /nfs/dbraw/zinc/52/79/92/573527992.db2.gz RGGONOSRTCBKPL-UHFFFAOYSA-N 0 0 169.253 1.675 10 0 ADAERN CSCC[C@@H](O)Cc1ccco1 130395613 573527993 /nfs/dbraw/zinc/52/79/93/573527993.db2.gz USXUJAPXBLCWIU-MRVPVSSYSA-N 0 0 186.276 1.936 10 0 ADAERN O=C1CCCNN1C1CCCCC1 257827964 573527994 /nfs/dbraw/zinc/52/79/94/573527994.db2.gz IAWFRKPSDYKSTQ-UHFFFAOYSA-N 0 0 182.267 1.446 10 0 ADAERN CN(C)c1c(F)cccc1CNO 259492965 573527995 /nfs/dbraw/zinc/52/79/95/573527995.db2.gz QDYPZRRBMSGJEK-UHFFFAOYSA-N 0 0 184.214 1.371 10 0 ADAERN CC1=Nc2cccnc2N[C@H]1C 238426300 573528004 /nfs/dbraw/zinc/52/80/04/573528004.db2.gz GDFPBHZJHFJJDR-ZETCQYMHSA-N 0 0 161.208 1.988 10 0 ADAERN CCSCc1noc(C(C)=O)n1 83486262 573528011 /nfs/dbraw/zinc/52/80/11/573528011.db2.gz WIVBSNLGCMDUOW-UHFFFAOYSA-N 0 0 186.236 1.525 10 0 ADAERN O=C1CC[C@H](OCC2CCOCC2)C1 86619901 573528013 /nfs/dbraw/zinc/52/80/13/573528013.db2.gz AVUKSGFTIGZVKO-NSHDSACASA-N 0 0 198.262 1.551 10 0 ADAERN C[C@@H]1CC2(CC[C@H]1CO)OCCO2 238426284 573528015 /nfs/dbraw/zinc/52/80/15/573528015.db2.gz ZRJYQIWIJHUYDE-BDAKNGLRSA-N 0 0 186.251 1.158 10 0 ADAERN C[C@H](O)c1ccc(C2COC2)cc1 258058217 573528023 /nfs/dbraw/zinc/52/80/23/573528023.db2.gz SGYKUASZOQKJFG-QMMMGPOBSA-N 0 0 178.231 1.854 10 0 ADAERN CCC(=O)N[C@H](C)CC1CC1 78570312 573528037 /nfs/dbraw/zinc/52/80/37/573528037.db2.gz MBMXKWNMFUOJQJ-SSDOTTSWSA-N 0 0 155.241 1.701 10 0 ADAERN Cc1nn(C(N)=O)c2c1[C@H](C)CCC2 238426402 573528081 /nfs/dbraw/zinc/52/80/81/573528081.db2.gz KAMOJNJFQFXVGS-ZCFIWIBFSA-N 0 0 193.250 1.558 10 0 ADAERN CC(=O)[C@H](C)[C@H]1COC(C)(C)O1 238426353 573528094 /nfs/dbraw/zinc/52/80/94/573528094.db2.gz GADYNLVOKHZYRI-POYBYMJQSA-N 0 0 172.224 1.363 10 0 ADAERN CSCC[C@@H](O)Cc1ccoc1 130395206 573528099 /nfs/dbraw/zinc/52/80/99/573528099.db2.gz ANLLMRCEWGMEBD-SECBINFHSA-N 0 0 186.276 1.936 10 0 ADAERN O=C1NCC[C@@H](c2ccccc2F)O1 257827605 573528105 /nfs/dbraw/zinc/52/81/05/573528105.db2.gz HZCUSBKUGOVBFX-VIFPVBQESA-N 0 0 195.193 1.997 10 0 ADAERN C[C@@H](CO)c1cccc(C2(O)CC2)c1 259491343 573528109 /nfs/dbraw/zinc/52/81/09/573528109.db2.gz QAJQGWAVOQFQEW-VIFPVBQESA-N 0 0 192.258 1.764 10 0 ADAERN O=C1CC[C@@H](C(=O)c2ccncc2)C1 86622469 573528115 /nfs/dbraw/zinc/52/81/15/573528115.db2.gz WPHMHUFJBZAAHC-SECBINFHSA-N 0 0 189.214 1.634 10 0 ADAERN CCCO[C@H]1CC[C@H](O)C1 86621582 573528123 /nfs/dbraw/zinc/52/81/23/573528123.db2.gz JLLYVNSNWYSRLJ-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1nn([C@H]2CC[C@H](O)C2)c(C)c1C 86621108 573528129 /nfs/dbraw/zinc/52/81/29/573528129.db2.gz YAULDYKMWPZVGC-QWRGUYRKSA-N 0 0 194.278 1.894 10 0 ADAERN CCOC(=O)[C@H](C)OCC(F)F 130394692 573528158 /nfs/dbraw/zinc/52/81/58/573528158.db2.gz RHZLPEWGQHQGJF-YFKPBYRVSA-N 0 0 182.166 1.220 10 0 ADAERN C[C@H](O[C@@H]1CC[C@H](O)C1)C(F)(F)F 86621669 573528176 /nfs/dbraw/zinc/52/81/76/573528176.db2.gz XGPNAILIPGUWQZ-LYFYHCNISA-N 0 0 198.184 1.867 10 0 ADAERN CC(C)=C(CO)C[C@H](C)O 238426350 573528185 /nfs/dbraw/zinc/52/81/85/573528185.db2.gz DLFYSELJEQVNSM-ZETCQYMHSA-N 0 0 144.214 1.086 10 0 ADAERN CN[C@@H](C)c1nncc(C(C)C)n1 257827499 573528193 /nfs/dbraw/zinc/52/81/93/573528193.db2.gz HXTWIZSMJCQIOS-ZETCQYMHSA-N 0 0 180.255 1.275 10 0 ADAERN C[C@H](O)[C@H]1O[C@@H](C)C1(C)C 238426504 573528225 /nfs/dbraw/zinc/52/82/25/573528225.db2.gz GUDQVFZHNYSHBF-LYFYHCNISA-N 0 0 144.214 1.181 10 0 ADAERN O[C@@H]1CC[C@@H](OCC(F)(F)F)C1 86621327 573528232 /nfs/dbraw/zinc/52/82/32/573528232.db2.gz LQFJRULQHCMITI-PHDIDXHHSA-N 0 0 184.157 1.479 10 0 ADAERN C[C@H](O)c1cccc2c1NC(=O)CO2 258059214 573528244 /nfs/dbraw/zinc/52/82/44/573528244.db2.gz LFCSZKUBTLMCSY-LURJTMIESA-N 0 0 193.202 1.071 10 0 ADAERN CCSC[C@H](O)[C@@H]1CCOC1 83484777 573528256 /nfs/dbraw/zinc/52/82/56/573528256.db2.gz RJILAEOTSBOFBO-SFYZADRCSA-N 0 0 176.281 1.137 10 0 ADAERN CCC(CC)[C@H](C)[C@@H](C[NH3+])C(=O)[O-] 143745288 573528270 /nfs/dbraw/zinc/52/82/70/573528270.db2.gz RWNULNICZRKXFY-IONNQARKSA-N 0 0 187.283 1.718 10 0 ADAERN COc1cc(O)cc(C)c1CON 258059335 573528275 /nfs/dbraw/zinc/52/82/75/573528275.db2.gz LHYGBTDXHZESRE-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN C[C@H](O)[C@H]1OC(C)(C)C1(C)C 238426261 573528291 /nfs/dbraw/zinc/52/82/91/573528291.db2.gz DSOBMBRSUBFJCD-NKWVEPMBSA-N 0 0 158.241 1.571 10 0 ADAERN O=Cc1ccc(F)c2c1OCCCO2 257827664 573528292 /nfs/dbraw/zinc/52/82/92/573528292.db2.gz IBNPNOBEYCZBAQ-UHFFFAOYSA-N 0 0 196.177 1.800 10 0 ADAERN NOCc1ccc(CC2COC2)cc1 258059188 573528294 /nfs/dbraw/zinc/52/82/94/573528294.db2.gz LEQTUQBDVFTLPP-UHFFFAOYSA-N 0 0 193.246 1.266 10 0 ADAERN OCC1(c2cccc(CNO)c2)CC1 259492926 573528300 /nfs/dbraw/zinc/52/83/00/573528300.db2.gz QCRQLVCLWGYGNF-UHFFFAOYSA-N 0 0 193.246 1.189 10 0 ADAERN CCSCC(=O)C(C)C 83484502 573528301 /nfs/dbraw/zinc/52/83/01/573528301.db2.gz GMHDBXMLXKIXPH-UHFFFAOYSA-N 0 0 146.255 1.965 10 0 ADAERN COc1ccc(CCO)c(C)c1OC 258059223 573528302 /nfs/dbraw/zinc/52/83/02/573528302.db2.gz LFJSOMPKRYXGDX-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN CN1Cc2nn(C(C)(C)C)c(N)c2C1 257828006 573528320 /nfs/dbraw/zinc/52/83/20/573528320.db2.gz ICDIYKNPKATPLN-UHFFFAOYSA-N 0 0 194.282 1.166 10 0 ADAERN COc1c(C)cc(F)cc1C=O 107330927 573528358 /nfs/dbraw/zinc/52/83/58/573528358.db2.gz WHEQZZJCQKAWEG-UHFFFAOYSA-N 0 0 168.167 1.955 10 0 ADAERN C[C@@]12CCCC(=O)[C@H]1CC2=O 238426489 573528360 /nfs/dbraw/zinc/52/83/60/573528360.db2.gz WRWIIYSOZISCBT-HZGVNTEJSA-N 0 0 152.193 1.335 10 0 ADAERN CN(CC(F)(F)F)[C@@H]1CC[C@H](O)C1 86620475 573528352 /nfs/dbraw/zinc/52/83/52/573528352.db2.gz OSPYDTBQHAIUQT-RQJHMYQMSA-N 0 0 197.200 1.394 10 0 ADAERN CN[C@H](C)c1nncc(C(C)C)n1 257827498 573528387 /nfs/dbraw/zinc/52/83/87/573528387.db2.gz HXTWIZSMJCQIOS-SSDOTTSWSA-N 0 0 180.255 1.275 10 0 ADAERN C[C@H]([NH3+])c1ccc(F)c(CC(=O)[O-])c1 238426277 573528401 /nfs/dbraw/zinc/52/84/01/573528401.db2.gz IIDWQNBUCOSRAQ-LURJTMIESA-N 0 0 197.209 1.473 10 0 ADAERN C[C@@H](C[C@@H]1CCCCO1)ON 259489034 573528403 /nfs/dbraw/zinc/52/84/03/573528403.db2.gz PKDBHTCXUBVOIV-YUMQZZPRSA-N 0 0 159.229 1.224 10 0 ADAERN NOCCCc1ccccc1O 258057998 573528404 /nfs/dbraw/zinc/52/84/04/573528404.db2.gz VBMJRKOJQFQFRM-UHFFFAOYSA-N 0 0 167.208 1.215 10 0 ADAERN O=C1C[NH2+]CCCN1c1cccs1 258058759 573528414 /nfs/dbraw/zinc/52/84/14/573528414.db2.gz ITPSGSYUKSKPRA-UHFFFAOYSA-N 0 0 196.275 1.074 10 0 ADAERN Cn1cc(C2CC2)c(C=O)n1 257827830 573528425 /nfs/dbraw/zinc/52/84/25/573528425.db2.gz IBAHPBJEDITTIH-UHFFFAOYSA-N 0 0 150.181 1.110 10 0 ADAERN CNc1nc(C(C)(C)C)n(C)n1 107331336 573528440 /nfs/dbraw/zinc/52/84/40/573528440.db2.gz KDUNJXBFJJABMR-UHFFFAOYSA-N 0 0 168.244 1.154 10 0 ADAERN Cc1cc(C)n([C@@H]2CC[C@H](O)C2)n1 86621035 573528444 /nfs/dbraw/zinc/52/84/44/573528444.db2.gz VFWDCAQPUQSXRU-ZJUUUORDSA-N 0 0 180.251 1.586 10 0 ADAERN CC(C)c1c[nH]c(C2(CO)CCC2)n1 259111322 573530411 /nfs/dbraw/zinc/53/04/11/573530411.db2.gz PCBWKVDCNHUWQM-UHFFFAOYSA-N 0 0 194.278 1.947 10 0 ADAERN [NH3+][C@H]1CCCc2sc(=O)[nH]c21 107332603 573528478 /nfs/dbraw/zinc/52/84/78/573528478.db2.gz YZQIAVPFVZKIQQ-BYPYZUCNSA-N 0 0 170.237 1.185 10 0 ADAERN CCSCc1nc(C=O)c[nH]1 83486423 573528491 /nfs/dbraw/zinc/52/84/91/573528491.db2.gz DNXQFKKSEJTBRK-UHFFFAOYSA-N 0 0 170.237 1.475 10 0 ADAERN Cc1ccn([C@@H]2CC[C@H](O)C2)n1 86621215 573528494 /nfs/dbraw/zinc/52/84/94/573528494.db2.gz VDIACTLNVVEORL-BDAKNGLRSA-N 0 0 166.224 1.277 10 0 ADAERN C[C@]1(C(=O)[O-])CCC[C@@H]2CCCC[N@@H+]21 257827216 573528495 /nfs/dbraw/zinc/52/84/95/573528495.db2.gz HXBDAJGIRJFLOW-GXSJLCMTSA-N 0 0 197.278 1.868 10 0 ADAERN COc1noc(CC(C)=O)c1C 107331523 573528507 /nfs/dbraw/zinc/52/85/07/573528507.db2.gz ZLRXBXWKCAIKAG-UHFFFAOYSA-N 0 0 169.180 1.123 10 0 ADAERN Cc1nccn1[C@H]1CC[C@H](O)C1 86621032 573528508 /nfs/dbraw/zinc/52/85/08/573528508.db2.gz BVHHUNUOVPVMIG-IUCAKERBSA-N 0 0 166.224 1.277 10 0 ADAERN CCOC(=N)CSCC 83485984 573528524 /nfs/dbraw/zinc/52/85/24/573528524.db2.gz UMDKERFEPGKJQS-UHFFFAOYSA-N 0 0 147.243 1.753 10 0 ADAERN CCSCC(N)=S 83484209 573528566 /nfs/dbraw/zinc/52/85/66/573528566.db2.gz HHIWSYCPKTVLIU-UHFFFAOYSA-N 0 0 135.257 1.026 10 0 ADAERN O[C@H]1CC[C@@H](Oc2ccccc2)C1 86621462 573528610 /nfs/dbraw/zinc/52/86/10/573528610.db2.gz HVVQXSMKLRTQTE-GXSJLCMTSA-N 0 0 178.231 1.979 10 0 ADAERN [NH3+][C@H]1CCCc2[nH]c(=O)sc21 107332624 573528640 /nfs/dbraw/zinc/52/86/40/573528640.db2.gz RJRCGSGCTVTPMC-BYPYZUCNSA-N 0 0 170.237 1.185 10 0 ADAERN CCc1nn(C)c2c(N)cccc12 257827401 573528645 /nfs/dbraw/zinc/52/86/45/573528645.db2.gz HUUHXZPCUVSIGY-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN O=C1NCC[C@H](c2ccccc2F)O1 257827604 573528649 /nfs/dbraw/zinc/52/86/49/573528649.db2.gz HZCUSBKUGOVBFX-SECBINFHSA-N 0 0 195.193 1.997 10 0 ADAERN CN1C[C@@H](C2CCC2)N(C)C1=O 259488950 573528687 /nfs/dbraw/zinc/52/86/87/573528687.db2.gz PEOGYZOSVLVBKW-QMMMGPOBSA-N 0 0 168.240 1.152 10 0 ADAERN CCCCO[C@@H]1CC[C@@H](O)C1 86621587 573528693 /nfs/dbraw/zinc/52/86/93/573528693.db2.gz GVBBLWNXYHOTMJ-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CCSC[C@H](O)C1CC1 83484839 573528695 /nfs/dbraw/zinc/52/86/95/573528695.db2.gz ILNUPZASBFGGBG-ZETCQYMHSA-N 0 0 146.255 1.510 10 0 ADAERN Cc1cnn([C@H]2CC[C@@H](O)C2)c1 86621098 573528699 /nfs/dbraw/zinc/52/86/99/573528699.db2.gz GLRBZYVZTORLNP-DTWKUNHWSA-N 0 0 166.224 1.277 10 0 ADAERN OCc1cc(C[C@@H]2CCCOC2)on1 258406335 573528702 /nfs/dbraw/zinc/52/87/02/573528702.db2.gz CRFOGTOBUZBNOT-QMMMGPOBSA-N 0 0 197.234 1.136 10 0 ADAERN C[C@@H](F)c1cn[nH]c1 257827275 573528716 /nfs/dbraw/zinc/52/87/16/573528716.db2.gz HUFGSXIBDFOSFK-SCSAIBSYSA-N 0 0 114.123 1.440 10 0 ADAERN O[C@H]1CC[C@H](Oc2ccccc2)C1 86621463 573528717 /nfs/dbraw/zinc/52/87/17/573528717.db2.gz HVVQXSMKLRTQTE-ONGXEEELSA-N 0 0 178.231 1.979 10 0 ADAERN COC(=O)[C@@]1(c2ccco2)CCCN1 258058890 573528734 /nfs/dbraw/zinc/52/87/34/573528734.db2.gz IUGGYHGTAZEUEN-JTQLQIEISA-N 0 0 195.218 1.031 10 0 ADAERN Cc1cccc(CN(C)C(=O)C=O)c1 258756455 573528742 /nfs/dbraw/zinc/52/87/42/573528742.db2.gz VAMWXNLQIVEQPY-UHFFFAOYSA-N 0 0 191.230 1.152 10 0 ADAERN Cc1ncn([C@@H]2CC[C@H](O)C2)c1C 86621143 573528769 /nfs/dbraw/zinc/52/87/69/573528769.db2.gz NTCJJIRFSNSVEG-ZJUUUORDSA-N 0 0 180.251 1.586 10 0 ADAERN Cc1ccc(C(N)=[NH2+])nc1Cl 107332217 573528772 /nfs/dbraw/zinc/52/87/72/573528772.db2.gz GWLJJYOBUUVFGE-UHFFFAOYSA-N 0 0 169.615 1.327 10 0 ADAERN CCSC[C@@H](O)C1CC1 83484840 573528785 /nfs/dbraw/zinc/52/87/85/573528785.db2.gz ILNUPZASBFGGBG-SSDOTTSWSA-N 0 0 146.255 1.510 10 0 ADAERN CCSCc1nc(C)nc(N)n1 83486415 573528803 /nfs/dbraw/zinc/52/88/03/573528803.db2.gz KSAPQHODTZHIEQ-UHFFFAOYSA-N 0 0 184.268 1.015 10 0 ADAERN CN1CCCC[C@H]1Oc1cnn(C)c1 258756897 573528813 /nfs/dbraw/zinc/52/88/13/573528813.db2.gz WQVWQYMFTXHDIP-SNVBAGLBSA-N 0 0 195.266 1.241 10 0 ADAERN Cc1cc2ccnn2c(Cl)n1 258058164 573528871 /nfs/dbraw/zinc/52/88/71/573528871.db2.gz SFPLQINEEVFPBX-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN COC(=O)[C@]12CCC[C@@H]1C[C@H](O)C2 257827506 573528889 /nfs/dbraw/zinc/52/88/89/573528889.db2.gz HXZZMXMUCIDVPK-WEDXCCLWSA-N 0 0 184.235 1.101 10 0 ADAERN OCC[C@@H]1Cc2c(F)cccc2N1 258052148 573528893 /nfs/dbraw/zinc/52/88/93/573528893.db2.gz FSMZRJHOUAINBC-SSDOTTSWSA-N 0 0 181.210 1.545 10 0 ADAERN Cc1c(C=O)nc2n1CCS2 107331247 573528897 /nfs/dbraw/zinc/52/88/97/573528897.db2.gz SEOKALXKRHPWIJ-UHFFFAOYSA-N 0 0 168.221 1.110 10 0 ADAERN CCSCc1noc(C=O)n1 83486261 573528900 /nfs/dbraw/zinc/52/89/00/573528900.db2.gz NWQOPKRFLAIXDN-UHFFFAOYSA-N 0 0 172.209 1.135 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]1CCCC[NH2+]1 107333072 573528911 /nfs/dbraw/zinc/52/89/11/573528911.db2.gz YBJFLFIVPKDVLH-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN CC(C)C[C@@]1(C)NC(=O)C(C)(C)N1 143796665 573528914 /nfs/dbraw/zinc/52/89/14/573528914.db2.gz LZYUYOGSTBVWMY-JTQLQIEISA-N 0 0 184.283 1.247 10 0 ADAERN CC(C)C[C@]1(C)NC(=O)C(C)(C)N1 143796875 573529022 /nfs/dbraw/zinc/52/90/22/573529022.db2.gz LZYUYOGSTBVWMY-SNVBAGLBSA-N 0 0 184.283 1.247 10 0 ADAERN CCSCc1nccc(NN)n1 83486134 573528928 /nfs/dbraw/zinc/52/89/28/573528928.db2.gz CZTYFGDAFYELNS-UHFFFAOYSA-N 0 0 184.268 1.015 10 0 ADAERN C[NH2+][C@H]1CCCc2nnsc21 107332106 573528949 /nfs/dbraw/zinc/52/89/49/573528949.db2.gz XPBVZAHDXPYHAN-YFKPBYRVSA-N 0 0 169.253 1.135 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1C[NH2+]C1CCCCC1 258755587 573528957 /nfs/dbraw/zinc/52/89/57/573528957.db2.gz XJSDEPGNEYXBAB-SCZZXKLOSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@@H]1OC2=CC=CC=C[C@]2(C)C1=O 238427666 573529026 /nfs/dbraw/zinc/52/90/26/573529026.db2.gz AFECLTGNMQEKQC-KWQFWETISA-N 0 0 176.215 1.990 10 0 ADAERN Nc1ccc2c(c1)N1CCC[C@H]1C2 257827479 573528959 /nfs/dbraw/zinc/52/89/59/573528959.db2.gz HWYJUALYOIHWOK-JTQLQIEISA-N 0 0 174.247 1.794 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@H]1CCOC1 257827954 573528971 /nfs/dbraw/zinc/52/89/71/573528971.db2.gz IAMGXXGMHCEVQS-RNFRBKRXSA-N 0 0 180.194 1.429 10 0 ADAERN COc1cc(F)c(O)cc1/C=C/C[NH3+] 258059191 573528978 /nfs/dbraw/zinc/52/89/78/573528978.db2.gz LESAMOFHCVRPIS-NSCUHMNNSA-N 0 0 197.209 1.512 10 0 ADAERN COc1nc2c(cc1N)CSCC2 257827647 573528989 /nfs/dbraw/zinc/52/89/89/573528989.db2.gz IAPTUTWYHJXEBG-UHFFFAOYSA-N 0 0 196.275 1.462 10 0 ADAERN [NH3+][C@@H]1CCCc2[nH]c(=O)sc21 107332619 573529003 /nfs/dbraw/zinc/52/90/03/573529003.db2.gz RJRCGSGCTVTPMC-SCSAIBSYSA-N 0 0 170.237 1.185 10 0 ADAERN C[C@H](CO)c1cccc(C2(O)CC2)c1 259491342 573530430 /nfs/dbraw/zinc/53/04/30/573530430.db2.gz QAJQGWAVOQFQEW-SECBINFHSA-N 0 0 192.258 1.764 10 0 ADAERN O=CC(=O)NCc1ccc(Cl)cc1 258754655 573529041 /nfs/dbraw/zinc/52/90/41/573529041.db2.gz UYXIRZNXWJCSAJ-UHFFFAOYSA-N 0 0 197.621 1.155 10 0 ADAERN CCO[C@@H](C[C@@H](CC)OC)OC 33611525 573529050 /nfs/dbraw/zinc/52/90/50/573529050.db2.gz XAPMEYQVHUTUEC-BDAKNGLRSA-N 0 0 176.256 1.811 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]1C[NH2+]C1CCCCC1 258755591 573529084 /nfs/dbraw/zinc/52/90/84/573529084.db2.gz XJSDEPGNEYXBAB-WCBMZHEXSA-N 0 0 197.278 1.629 10 0 ADAERN Nc1nc(-c2ccccc2CO)co1 257828014 573529097 /nfs/dbraw/zinc/52/90/97/573529097.db2.gz ICSJGUCZMTYXMQ-UHFFFAOYSA-N 0 0 190.202 1.416 10 0 ADAERN COc1c(C)cc(F)cc1CON 258059158 573530432 /nfs/dbraw/zinc/53/04/32/573530432.db2.gz LEIBWLCQHWQPIQ-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN C[C@@]12CCCC=C1OC(=O)C2=O 238427685 573529109 /nfs/dbraw/zinc/52/91/09/573529109.db2.gz PTVJPMJPICXSSY-SECBINFHSA-N 0 0 166.176 1.186 10 0 ADAERN CC(C)N1N[C@H](C(C)(C)C)CC1=O 257827855 573529111 /nfs/dbraw/zinc/52/91/11/573529111.db2.gz HYXQWMBFBPQREU-QMMMGPOBSA-N 0 0 184.283 1.546 10 0 ADAERN Cc1cc(O)cc(C)c1C[C@@H](C)O 258052293 573529113 /nfs/dbraw/zinc/52/91/13/573529113.db2.gz RLLYTKHWBVCICM-SECBINFHSA-N 0 0 180.247 1.932 10 0 ADAERN [NH3+][C@@H]1CCCc2sc(=O)[nH]c21 107332600 573529120 /nfs/dbraw/zinc/52/91/20/573529120.db2.gz YZQIAVPFVZKIQQ-SCSAIBSYSA-N 0 0 170.237 1.185 10 0 ADAERN Cc1cc(F)cc(C(N)=[NH2+])c1[O-] 107330929 573529141 /nfs/dbraw/zinc/52/91/41/573529141.db2.gz PLHMUEFETNCVJD-UHFFFAOYSA-N 0 0 168.171 1.124 10 0 ADAERN Oc1ccccc1C(F)(F)[C@H]1CCN1 257827779 573529166 /nfs/dbraw/zinc/52/91/66/573529166.db2.gz GFUTYIIZHCZQOG-SECBINFHSA-N 0 0 199.200 1.846 10 0 ADAERN C[C@H](F)c1cn[nH]c1 257827274 573529203 /nfs/dbraw/zinc/52/92/03/573529203.db2.gz HUFGSXIBDFOSFK-BYPYZUCNSA-N 0 0 114.123 1.440 10 0 ADAERN Cc1ccc([C@@](C)(F)CO)o1 257827223 573529220 /nfs/dbraw/zinc/52/92/20/573529220.db2.gz HQYKANVAKQYBIU-QMMMGPOBSA-N 0 0 158.172 1.765 10 0 ADAERN C[C@H](O)C(F)(F)C[C@H]1CCOC1 257827953 573530444 /nfs/dbraw/zinc/53/04/44/573530444.db2.gz IAMGXXGMHCEVQS-NKWVEPMBSA-N 0 0 180.194 1.429 10 0 ADAERN Cc1nc(CCO)nc2c1CSC2 257828039 573529225 /nfs/dbraw/zinc/52/92/25/573529225.db2.gz IEFDCEDAPDYEJG-UHFFFAOYSA-N 0 0 196.275 1.067 10 0 ADAERN CC1CCN(C(=O)S)CC1 258756925 573529226 /nfs/dbraw/zinc/52/92/26/573529226.db2.gz OTNPQHVCNIOAEY-UHFFFAOYSA-N 0 0 159.254 1.768 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]1CCCC[NH2+]1 107333068 573529234 /nfs/dbraw/zinc/52/92/34/573529234.db2.gz YBJFLFIVPKDVLH-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN Nc1cc([C@@H]2CCCO2)nnc1Cl 259491250 573529243 /nfs/dbraw/zinc/52/92/43/573529243.db2.gz PWQUXEYJSZUASG-ZETCQYMHSA-N 0 0 199.641 1.564 10 0 ADAERN Cc1cc(O)cc(C)c1C[C@H](C)O 258052294 573529247 /nfs/dbraw/zinc/52/92/47/573529247.db2.gz RLLYTKHWBVCICM-VIFPVBQESA-N 0 0 180.247 1.932 10 0 ADAERN COc1ncccc1C(F)(F)CN 238429726 573530446 /nfs/dbraw/zinc/53/04/46/573530446.db2.gz YNOFNKLGMVCPIC-UHFFFAOYSA-N 0 0 188.177 1.141 10 0 ADAERN CNc1nnc(C(C)(C)C)n1C 107331326 573529252 /nfs/dbraw/zinc/52/92/52/573529252.db2.gz RVFWSKSOYYINFM-UHFFFAOYSA-N 0 0 168.244 1.154 10 0 ADAERN C[NH2+][C@@H]1CCc2sc(C)nc21 107331373 573529267 /nfs/dbraw/zinc/52/92/67/573529267.db2.gz IYLKCXSJPXCXQQ-ZCFIWIBFSA-N 0 0 168.265 1.658 10 0 ADAERN C[C@H]1Cc2ccc(CCCO)cc2O1 258059358 573530451 /nfs/dbraw/zinc/53/04/51/573530451.db2.gz LIWWVEWXDGREGB-VIFPVBQESA-N 0 0 192.258 1.935 10 0 ADAERN CC(C)(CO)c1ccccc1CO 259491352 573529278 /nfs/dbraw/zinc/52/92/78/573529278.db2.gz QAOJCDVGELYXLV-UHFFFAOYSA-N 0 0 180.247 1.449 10 0 ADAERN CCSCC(=O)[C@H]1CCOC1 83484523 573529300 /nfs/dbraw/zinc/52/93/00/573529300.db2.gz SQEBAXOBWDROAL-ZETCQYMHSA-N 0 0 174.265 1.345 10 0 ADAERN COC(=O)[C@H](C[NH+](C)C)c1ccco1 258051811 573529313 /nfs/dbraw/zinc/52/93/13/573529313.db2.gz HQEPXURQNPMZMB-MRVPVSSYSA-N 0 0 197.234 1.098 10 0 ADAERN CCCc1ccc(NCNN)cc1 259111257 573529364 /nfs/dbraw/zinc/52/93/64/573529364.db2.gz PFNBPGBASSYRKP-UHFFFAOYSA-N 0 0 179.267 1.472 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]([NH3+])c1ccncc1 259489259 573530459 /nfs/dbraw/zinc/53/04/59/573530459.db2.gz QDEZBOPDXWKKIT-BDAKNGLRSA-N 0 0 194.234 1.192 10 0 ADAERN COC(=O)[C@]12CCC[C@@H]1C[C@@H](O)C2 257827503 573529379 /nfs/dbraw/zinc/52/93/79/573529379.db2.gz HXZZMXMUCIDVPK-MRTMQBJTSA-N 0 0 184.235 1.101 10 0 ADAERN Oc1ccccc1C(F)(F)[C@@H]1CCN1 257827781 573529402 /nfs/dbraw/zinc/52/94/02/573529402.db2.gz GFUTYIIZHCZQOG-VIFPVBQESA-N 0 0 199.200 1.846 10 0 ADAERN CC1(C2CCOCC2)COC1 259111258 573529452 /nfs/dbraw/zinc/52/94/52/573529452.db2.gz PAXPLHPMQJPFKM-UHFFFAOYSA-N 0 0 156.225 1.450 10 0 ADAERN Nc1cnn(-c2cccc(O)c2)c1 107334259 573529467 /nfs/dbraw/zinc/52/94/67/573529467.db2.gz DZVFIMPQIXYBHI-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN CCN(CC)C(=O)c1ncsc1N 257827308 573529495 /nfs/dbraw/zinc/52/94/95/573529495.db2.gz GAZHYADURPSPOG-UHFFFAOYSA-N 0 0 199.279 1.207 10 0 ADAERN Nc1cnn(-c2ccccc2O)c1 107334261 573529512 /nfs/dbraw/zinc/52/95/12/573529512.db2.gz UERMXVDXTXEQNX-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN C[C@@]1(C(=O)[O-])CCC[C@@H]2CCCC[N@@H+]21 257827222 573529513 /nfs/dbraw/zinc/52/95/13/573529513.db2.gz HXBDAJGIRJFLOW-ONGXEEELSA-N 0 0 197.278 1.868 10 0 ADAERN CO[P@](C)(=O)CC=O 238429881 573529534 /nfs/dbraw/zinc/52/95/34/573529534.db2.gz QOGPFOQBCUPVSV-RTMURIBGSA-N 0 0 136.087 1.570 10 0 ADAERN C[NH2+][C@@H]1CCCc2nnsc21 107332103 573530469 /nfs/dbraw/zinc/53/04/69/573530469.db2.gz XPBVZAHDXPYHAN-RXMQYKEDSA-N 0 0 169.253 1.135 10 0 ADAERN CCSC[C@H](O)C(C)C 83484691 573530471 /nfs/dbraw/zinc/53/04/71/573530471.db2.gz PHJPFFSXTDJTKT-ZETCQYMHSA-N 0 0 148.271 1.756 10 0 ADAERN CCSCc1nc(C)cc(N)n1 83486079 573529545 /nfs/dbraw/zinc/52/95/45/573529545.db2.gz TYOOLNWBTUTSEQ-UHFFFAOYSA-N 0 0 183.280 1.620 10 0 ADAERN C[C@@H]([NH3+])Cc1cc(F)ccc1C(=O)[O-] 238429886 573529546 /nfs/dbraw/zinc/52/95/46/573529546.db2.gz GKTQVOGBSCKETE-ZCFIWIBFSA-N 0 0 197.209 1.414 10 0 ADAERN CCCSCC(N)=S 83486440 573529548 /nfs/dbraw/zinc/52/95/48/573529548.db2.gz XIRWBCGGWZZUJP-UHFFFAOYSA-N 0 0 149.284 1.416 10 0 ADAERN Nc1nc(Cc2cccnc2)co1 258501928 573529579 /nfs/dbraw/zinc/52/95/79/573529579.db2.gz DMFHIAQPTPSYOF-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN CC(=O)CCN1O[C@H](C(C)C)CC1=O 257827889 573529597 /nfs/dbraw/zinc/52/95/97/573529597.db2.gz GHLBVFRBWPLLLT-VIFPVBQESA-N 0 0 199.250 1.154 10 0 ADAERN CCSCc1nc(CO)c[nH]1 83486234 573529601 /nfs/dbraw/zinc/52/96/01/573529601.db2.gz ZDQYXEMDGATOAQ-UHFFFAOYSA-N 0 0 172.253 1.155 10 0 ADAERN Cc1cc(Cl)ccc1NCNN 258757705 573529611 /nfs/dbraw/zinc/52/96/11/573529611.db2.gz XPEOXWPSOQKCEG-UHFFFAOYSA-N 0 0 185.658 1.481 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@H](C)CC(=O)[O-])o1 259493087 573529612 /nfs/dbraw/zinc/52/96/12/573529612.db2.gz TVXWELRVNZWVFX-LHLIQPBNSA-N 0 0 197.234 1.699 10 0 ADAERN CC1(C2CCCCC2)CNC(=O)NC1 257827592 573529626 /nfs/dbraw/zinc/52/96/26/573529626.db2.gz HYIQPHMHMZUXNO-UHFFFAOYSA-N 0 0 196.294 1.886 10 0 ADAERN C[C@@H]([NH3+])c1coc(Cc2ccco2)n1 258051283 573529637 /nfs/dbraw/zinc/52/96/37/573529637.db2.gz KXYWEGMQMMTTTQ-SSDOTTSWSA-N 0 0 192.218 1.878 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@@H]1CCOC1 257827955 573529638 /nfs/dbraw/zinc/52/96/38/573529638.db2.gz IAMGXXGMHCEVQS-RQJHMYQMSA-N 0 0 180.194 1.429 10 0 ADAERN COc1c(N)[nH]cc(C(F)F)c1=O 238429369 573529641 /nfs/dbraw/zinc/52/96/41/573529641.db2.gz CXWJYZBXGNHZAP-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN C[C@@H]1CCNC(=O)N1c1ccccc1 238429963 573529671 /nfs/dbraw/zinc/52/96/71/573529671.db2.gz QYYDOQGNSZCTOX-SECBINFHSA-N 0 0 190.246 1.995 10 0 ADAERN CC(C)(ON)c1cccs1 259490788 573529690 /nfs/dbraw/zinc/52/96/90/573529690.db2.gz PNHDHZPHSLUAQE-UHFFFAOYSA-N 0 0 157.238 1.874 10 0 ADAERN COc1nccc2nccnc12 238429034 573529696 /nfs/dbraw/zinc/52/96/96/573529696.db2.gz CGFXXVCBLMKADP-UHFFFAOYSA-N 0 0 161.164 1.033 10 0 ADAERN COc1c(C)cc(C)c(CCO)c1O 258059108 573529699 /nfs/dbraw/zinc/52/96/99/573529699.db2.gz LDKYKABVERYOMB-UHFFFAOYSA-N 0 0 196.246 1.552 10 0 ADAERN CCSCc1nc(C)c(C)c(=O)[nH]1 83484462 573529724 /nfs/dbraw/zinc/52/97/24/573529724.db2.gz YMSPPCMFZGDGQG-UHFFFAOYSA-N 0 0 198.291 1.640 10 0 ADAERN CCCOc1c(C)cccc1C(N)=O 33610422 573530314 /nfs/dbraw/zinc/53/03/14/573530314.db2.gz KOPJTACKPRAAQP-UHFFFAOYSA-N 0 0 193.246 1.883 10 0 ADAERN Cc1nc([C@H]2CSCCN2)[nH]c1C 257827606 573530315 /nfs/dbraw/zinc/53/03/15/573530315.db2.gz HZIISPGXIRJBSB-MRVPVSSYSA-N 0 0 197.307 1.404 10 0 ADAERN CC[C@@H](C)C(=O)[C@@H]1CCC(=O)C1 86622523 573529737 /nfs/dbraw/zinc/52/97/37/573529737.db2.gz FMFLTORPMVXVNB-HTQZYQBOSA-N 0 0 168.236 1.971 10 0 ADAERN CCSCc1nc(C)c(C)c(N)n1 83486087 573529739 /nfs/dbraw/zinc/52/97/39/573529739.db2.gz AZVAPYLZQHUOEM-UHFFFAOYSA-N 0 0 197.307 1.929 10 0 ADAERN C[C@]1(C(=O)[O-])CCC[C@H]2CCCC[N@@H+]21 257827220 573529743 /nfs/dbraw/zinc/52/97/43/573529743.db2.gz HXBDAJGIRJFLOW-MWLCHTKSSA-N 0 0 197.278 1.868 10 0 ADAERN C[C@@]12CCCC[C@@H]1N=C(N)O2 238430046 573529749 /nfs/dbraw/zinc/52/97/49/573529749.db2.gz BASJBBCJZPLDSH-POYBYMJQSA-N 0 0 154.213 1.033 10 0 ADAERN C[C@@H]([NH3+])C(=O)CCc1ccc(F)cc1 258759166 573529759 /nfs/dbraw/zinc/52/97/59/573529759.db2.gz QELOTTDCWPTTRQ-MRVPVSSYSA-N 0 0 195.237 1.675 10 0 ADAERN CCCc1[nH]c(C2(CO)CC2)nc1C 258756057 573529774 /nfs/dbraw/zinc/52/97/74/573529774.db2.gz RTTFIQBGGNOWOV-UHFFFAOYSA-N 0 0 194.278 1.695 10 0 ADAERN Fc1cccc(C23CC(C2)[NH2+]3)c1 258059399 573529775 /nfs/dbraw/zinc/52/97/75/573529775.db2.gz HFTDDIBGYXIVOR-UHFFFAOYSA-N 0 0 163.195 1.787 10 0 ADAERN Cc1nc(-c2ccccc2CO)c[nH]1 257827229 573529793 /nfs/dbraw/zinc/52/97/93/573529793.db2.gz HXDKBGLIPQWVKT-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN COc1c(N)ncc(C)c1C(F)F 238429456 573529803 /nfs/dbraw/zinc/52/98/03/573529803.db2.gz XDFJBZYVVCUKRS-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CC(C)N1N[C@@H](C(C)(C)C)CC1=O 257827853 573529815 /nfs/dbraw/zinc/52/98/15/573529815.db2.gz HYXQWMBFBPQREU-MRVPVSSYSA-N 0 0 184.283 1.546 10 0 ADAERN C[C@@H](O)CCC1(C)OCCCO1 238429676 573529818 /nfs/dbraw/zinc/52/98/18/573529818.db2.gz ORIQBZBVTGRTSP-MRVPVSSYSA-N 0 0 174.240 1.301 10 0 ADAERN CCSCc1nccc(NC)n1 83486104 573529824 /nfs/dbraw/zinc/52/98/24/573529824.db2.gz DJTYJAIQJWWTMJ-UHFFFAOYSA-N 0 0 183.280 1.771 10 0 ADAERN C[C@H](O)Cc1ccccc1CCON 259491269 573529827 /nfs/dbraw/zinc/52/98/27/573529827.db2.gz PXKDDUAUVVXYHF-VIFPVBQESA-N 0 0 195.262 1.043 10 0 ADAERN Cn1cc(C2CCCC2)c(C=O)n1 257827786 573529845 /nfs/dbraw/zinc/52/98/45/573529845.db2.gz HYBPIFONCSKPMJ-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN NOCCc1ccc(F)cc1Cl 258059337 573529864 /nfs/dbraw/zinc/52/98/64/573529864.db2.gz LIBLBQIJVVXKTP-UHFFFAOYSA-N 0 0 189.617 1.912 10 0 ADAERN CCSCc1nc(C)cc(NN)n1 83486127 573529898 /nfs/dbraw/zinc/52/98/98/573529898.db2.gz DEFRZGJFCVRMRL-UHFFFAOYSA-N 0 0 198.295 1.324 10 0 ADAERN C[C@H]([NH3+])C(=O)CCc1ccc(F)cc1 258759167 573529937 /nfs/dbraw/zinc/52/99/37/573529937.db2.gz QELOTTDCWPTTRQ-QMMMGPOBSA-N 0 0 195.237 1.675 10 0 ADAERN CC(C)OCc1nsc(N)n1 107333408 573529955 /nfs/dbraw/zinc/52/99/55/573529955.db2.gz BDBWNZURPSHGOZ-UHFFFAOYSA-N 0 0 173.241 1.045 10 0 ADAERN Cc1nc([C@@H]2CSCCN2)[nH]c1C 257827608 573529968 /nfs/dbraw/zinc/52/99/68/573529968.db2.gz HZIISPGXIRJBSB-QMMMGPOBSA-N 0 0 197.307 1.404 10 0 ADAERN C[C@@H](O)c1cc(O)c(F)cc1F 258052419 573529969 /nfs/dbraw/zinc/52/99/69/573529969.db2.gz RPQQLRNSQKPFRB-SCSAIBSYSA-N 0 0 174.146 1.724 10 0 ADAERN C[NH2+]Cc1cc2ccccc2nn1 107333382 573529981 /nfs/dbraw/zinc/52/99/81/573529981.db2.gz PDDOXEUBLQXXOJ-UHFFFAOYSA-N 0 0 173.219 1.349 10 0 ADAERN CCS[C@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 86629948 573529995 /nfs/dbraw/zinc/52/99/95/573529995.db2.gz UURHBOVWJIDGSH-XPUUQOCRSA-N 0 0 189.280 1.074 10 0 ADAERN CC(=O)c1cccn2nc(C)cc12 107333722 573530336 /nfs/dbraw/zinc/53/03/36/573530336.db2.gz OXARVEBDEUQDFV-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN COC(=O)C(F)(F)C(=O)C(C)(C)C 257827574 573530035 /nfs/dbraw/zinc/53/00/35/573530035.db2.gz HXVKIYUJCKVGHT-UHFFFAOYSA-N 0 0 194.177 1.410 10 0 ADAERN C[C@H](CO)C12CCC(C)(CC1)O2 238430094 573530040 /nfs/dbraw/zinc/53/00/40/573530040.db2.gz NXEIGUMTZKRRMT-XNWIYYODSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1cc(O)c(Cl)c(C[NH3+])c1 258058161 573530286 /nfs/dbraw/zinc/53/02/86/573530286.db2.gz SFDJBEFSQJIKAR-UHFFFAOYSA-N 0 0 171.627 1.813 10 0 ADAERN C[C@H](O)[C@@]1(C)C(=O)CCC[C@@H]1C 238430365 573530069 /nfs/dbraw/zinc/53/00/69/573530069.db2.gz YGAYFGVJLJNMRW-NRPADANISA-N 0 0 170.252 1.763 10 0 ADAERN CNCC(F)(F)C[C@@H]1CCSC1 257827566 573530083 /nfs/dbraw/zinc/53/00/83/573530083.db2.gz HXIRRKSXMMUUTK-ZETCQYMHSA-N 0 0 195.278 1.984 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)CCC(N)=O 238430194 573530094 /nfs/dbraw/zinc/53/00/94/573530094.db2.gz WJZWNCZKNZLIKB-WCBMZHEXSA-N 0 0 185.267 1.193 10 0 ADAERN NOC[C@H](O)C1CCCCCC1 257827925 573530102 /nfs/dbraw/zinc/53/01/02/573530102.db2.gz HZYNUWCRGYCAMT-VIFPVBQESA-N 0 0 173.256 1.208 10 0 ADAERN COc1ccc(O)c(C2(O)CC2)c1 258052279 573530110 /nfs/dbraw/zinc/53/01/10/573530110.db2.gz RLENZLDPAOOCGG-UHFFFAOYSA-N 0 0 180.203 1.382 10 0 ADAERN CC(C)(O)c1ccc(C(=O)CN)cc1 259491299 573530113 /nfs/dbraw/zinc/53/01/13/573530113.db2.gz PZAGKKKUUXRVHK-UHFFFAOYSA-N 0 0 193.246 1.055 10 0 ADAERN CC[C@H](C[NH2+]C(C)(C)C)C(=O)[O-] 258755408 573530127 /nfs/dbraw/zinc/53/01/27/573530127.db2.gz XHANWRUYAUAGJF-SSDOTTSWSA-N 0 0 173.256 1.485 10 0 ADAERN COC(=O)[C@@H](C[NH+](C)C)c1ccco1 258051816 573530137 /nfs/dbraw/zinc/53/01/37/573530137.db2.gz HQEPXURQNPMZMB-QMMMGPOBSA-N 0 0 197.234 1.098 10 0 ADAERN NOC[C@@H](O)C1CCCCCC1 257827923 573530147 /nfs/dbraw/zinc/53/01/47/573530147.db2.gz HZYNUWCRGYCAMT-SECBINFHSA-N 0 0 173.256 1.208 10 0 ADAERN COc1cc2sc(=O)oc2cc1N 258058209 573530158 /nfs/dbraw/zinc/53/01/58/573530158.db2.gz SGVFPJLDUWTCTL-UHFFFAOYSA-N 0 0 197.215 1.445 10 0 ADAERN OC1(Cc2ccco2)CC1 258058666 573530167 /nfs/dbraw/zinc/53/01/67/573530167.db2.gz PODIHZHBCAVRBH-UHFFFAOYSA-N 0 0 138.166 1.347 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)OCC(=O)N2 258059234 573530176 /nfs/dbraw/zinc/53/01/76/573530176.db2.gz LFSGLSRORXKYEJ-ZCFIWIBFSA-N 0 0 193.202 1.071 10 0 ADAERN CCCc1conc1C(C)=O 257827756 573530181 /nfs/dbraw/zinc/53/01/81/573530181.db2.gz HWDWBSFPIVBKJS-UHFFFAOYSA-N 0 0 153.181 1.830 10 0 ADAERN C[C@@H]([C@@H](O)c1ccccc1)N(C)C#N 238429789 573530208 /nfs/dbraw/zinc/53/02/08/573530208.db2.gz CXSRYKFZSZDWNK-GXSJLCMTSA-N 0 0 190.246 1.521 10 0 ADAERN CSc1c(F)cccc1CON 258059283 573530212 /nfs/dbraw/zinc/53/02/12/573530212.db2.gz LGVJGTLPPBXUJK-UHFFFAOYSA-N 0 0 187.239 1.938 10 0 ADAERN Cc1ccc(-c2c(N)nnn2C)cc1 257828051 573530298 /nfs/dbraw/zinc/53/02/98/573530298.db2.gz IEZNWPSOTPLTAB-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCCCN(C)C(=O)C1(CO)CCC1 258756704 573530223 /nfs/dbraw/zinc/53/02/23/573530223.db2.gz OPJKPTSLOBWFBO-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN C[C@H](C[C@@H]1CCCCO1)ON 259489033 573530240 /nfs/dbraw/zinc/53/02/40/573530240.db2.gz PKDBHTCXUBVOIV-SFYZADRCSA-N 0 0 159.229 1.224 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccncc1 259489267 573530250 /nfs/dbraw/zinc/53/02/50/573530250.db2.gz QDEZBOPDXWKKIT-RKDXNWHRSA-N 0 0 194.234 1.192 10 0 ADAERN C[C@@]12CCCC[C@@H]1NC2=O 238430109 573530262 /nfs/dbraw/zinc/53/02/62/573530262.db2.gz XXBLLYBHNMXEHC-POYBYMJQSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@H](ON)[C@@H]1CCCSC1 259490646 573530283 /nfs/dbraw/zinc/53/02/83/573530283.db2.gz PKLHFNXAERZLNN-NKWVEPMBSA-N 0 0 161.270 1.408 10 0 ADAERN CCc1c2ccc(C=O)cc2nn1C 257828017 573530899 /nfs/dbraw/zinc/53/08/99/573530899.db2.gz ICYUSBDBGFZBAQ-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN C[C@H](CO)C1(O)CCCCC1 238430078 573530738 /nfs/dbraw/zinc/53/07/38/573530738.db2.gz ZLBWQTSMWQXYGK-MRVPVSSYSA-N 0 0 158.241 1.310 10 0 ADAERN C[C@H](O)[C@]1(C)C=CCCC1=O 238429795 573530778 /nfs/dbraw/zinc/53/07/78/573530778.db2.gz ZJOGHNCHHDBOSZ-CBAPKCEASA-N 0 0 154.209 1.293 10 0 ADAERN CNc1nnc(CC(C)C)n1C 107331322 573530780 /nfs/dbraw/zinc/53/07/80/573530780.db2.gz ALAQCZJPEXGDDG-UHFFFAOYSA-N 0 0 168.244 1.055 10 0 ADAERN CCCSC[C@@H](O)C1CC1 83486978 573530800 /nfs/dbraw/zinc/53/08/00/573530800.db2.gz RFQGOXWRZHATBG-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN CC[C@@H](C[NH2+]C(C)(C)C)C(=O)[O-] 258755413 573530818 /nfs/dbraw/zinc/53/08/18/573530818.db2.gz XHANWRUYAUAGJF-ZETCQYMHSA-N 0 0 173.256 1.485 10 0 ADAERN C[C@H](CO)C(C)(C)C1(C)OCCO1 238429719 573530839 /nfs/dbraw/zinc/53/08/39/573530839.db2.gz FWWCIELAHZUQQN-MRVPVSSYSA-N 0 0 188.267 1.404 10 0 ADAERN Cc1cc(F)c(O)c(CC[NH3+])c1 107331744 573530840 /nfs/dbraw/zinc/53/08/40/573530840.db2.gz JJJJYWFKNUKZCS-UHFFFAOYSA-N 0 0 169.199 1.341 10 0 ADAERN Nc1ncc(COc2cccnc2)o1 258052250 573530841 /nfs/dbraw/zinc/53/08/41/573530841.db2.gz FTEFJFIOMFUSEU-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1c(Cl)cccc1C(=O)CCO 257827736 573530845 /nfs/dbraw/zinc/53/08/45/573530845.db2.gz GFCWQAPFRHCMEW-UHFFFAOYSA-N 0 0 199.637 1.487 10 0 ADAERN C[C@H](O)[C@]1(C(C)(C)C)CO1 238429718 573530846 /nfs/dbraw/zinc/53/08/46/573530846.db2.gz ABUJPVUZAOWZBQ-XPUUQOCRSA-N 0 0 144.214 1.182 10 0 ADAERN CCOC(=O)[C@H](F)OCC(F)F 130407452 573530850 /nfs/dbraw/zinc/53/08/50/573530850.db2.gz WWTLSKAVWAAMFR-RXMQYKEDSA-N 0 0 186.129 1.127 10 0 ADAERN CNc1nnc(C2CCC2)s1 107332135 573531232 /nfs/dbraw/zinc/53/12/32/573531232.db2.gz JSJDFXAHCRSIIM-UHFFFAOYSA-N 0 0 169.253 1.847 10 0 ADAERN OC[C@]1(c2ccncc2)CCCC[NH2+]1 258051984 573530883 /nfs/dbraw/zinc/53/08/83/573530883.db2.gz IJHKXLYWCACVDU-NSHDSACASA-N 0 0 192.262 1.043 10 0 ADAERN CC1=N[C@H](C)S[C@H]1CCO 238430368 573530910 /nfs/dbraw/zinc/53/09/10/573530910.db2.gz VQAPNSCSWPDGQM-BQBZGAKWSA-N 0 0 159.254 1.291 10 0 ADAERN Cc1nc(C(N)=[NH2+])ccc1Cl 107332207 573530913 /nfs/dbraw/zinc/53/09/13/573530913.db2.gz LHFVKFCDWRKPQW-UHFFFAOYSA-N 0 0 169.615 1.327 10 0 ADAERN CNCC(F)(F)C[C@H]1CCSC1 257827565 573530932 /nfs/dbraw/zinc/53/09/32/573530932.db2.gz HXIRRKSXMMUUTK-SSDOTTSWSA-N 0 0 195.278 1.984 10 0 ADAERN O=Cc1cnn(C[C@@H]2CCCS2)c1 715861846 573530938 /nfs/dbraw/zinc/53/09/38/573530938.db2.gz FNOYJAGWRYSLFO-VIFPVBQESA-N 0 0 196.275 1.591 10 0 ADAERN COC(=O)c1c(N)[nH]c(C)c1C 107331065 573530950 /nfs/dbraw/zinc/53/09/50/573530950.db2.gz MGQQEZYTBZTVCC-UHFFFAOYSA-N 0 0 168.196 1.000 10 0 ADAERN C[NH2+][C@@H](C[C@@H](C)C(=O)[O-])C1CCCC1 259490761 573530953 /nfs/dbraw/zinc/53/09/53/573530953.db2.gz RHJYMLOIKPITFG-SCZZXKLOSA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@H]1CCCc2snnc21 107332081 573530970 /nfs/dbraw/zinc/53/09/70/573530970.db2.gz NIIGOFLATHXEOB-YFKPBYRVSA-N 0 0 169.253 1.135 10 0 ADAERN CSC[C@H](C)CNC(C)=O 78570584 573530975 /nfs/dbraw/zinc/53/09/75/573530975.db2.gz NKHLHEWKGOONOT-ZCFIWIBFSA-N 0 0 161.270 1.122 10 0 ADAERN c1nocc1O[C@H]1CCCCO1 258755720 573530989 /nfs/dbraw/zinc/53/09/89/573530989.db2.gz WOAZOUSJSMRRMW-QMMMGPOBSA-N 0 0 169.180 1.580 10 0 ADAERN Nc1[nH][nH]c(=O)c1-c1ccc(O)cc1 257828063 573530991 /nfs/dbraw/zinc/53/09/91/573530991.db2.gz IFSVSDVZIWPQMT-UHFFFAOYSA-N 0 0 191.190 1.070 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccncc1 259489264 573530998 /nfs/dbraw/zinc/53/09/98/573530998.db2.gz QDEZBOPDXWKKIT-IUCAKERBSA-N 0 0 194.234 1.192 10 0 ADAERN C[C@@H](O)Cc1ccccc1CCON 259491268 573531014 /nfs/dbraw/zinc/53/10/14/573531014.db2.gz PXKDDUAUVVXYHF-SECBINFHSA-N 0 0 195.262 1.043 10 0 ADAERN O=Cc1ccc(F)cc1C1(O)CC1 258052402 573531036 /nfs/dbraw/zinc/53/10/36/573531036.db2.gz RPIWFGMUSCCMCC-UHFFFAOYSA-N 0 0 180.178 1.620 10 0 ADAERN C[C@@H]([NH3+])c1ccc([O-])c(Cl)n1 238429199 573531041 /nfs/dbraw/zinc/53/10/41/573531041.db2.gz DLKDMGIWMCCXDO-SCSAIBSYSA-N 0 0 172.615 1.460 10 0 ADAERN COc1cc(C[C@H](C)O)ccc1C 258058241 573531059 /nfs/dbraw/zinc/53/10/59/573531059.db2.gz SHOGITWFRICSBG-VIFPVBQESA-N 0 0 180.247 1.927 10 0 ADAERN COCc1ccc(F)cc1C=O 107330922 573531061 /nfs/dbraw/zinc/53/10/61/573531061.db2.gz JCLGELMOYMOCMA-UHFFFAOYSA-N 0 0 168.167 1.785 10 0 ADAERN C[C@@H](C=C1SCCS1)CO 238430392 573531080 /nfs/dbraw/zinc/53/10/80/573531080.db2.gz DFCDJQIXVVNWAG-LURJTMIESA-N 0 0 176.306 1.936 10 0 ADAERN C[C@@H]1CC=CC[C@H]1C1OCC(O)CO1 238429834 573531086 /nfs/dbraw/zinc/53/10/86/573531086.db2.gz QQGJSDWGKUBCSJ-BZCXBAJXSA-N 0 0 198.262 1.323 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]1CCCC[NH2+]1 107333077 573531091 /nfs/dbraw/zinc/53/10/91/573531091.db2.gz YBJFLFIVPKDVLH-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@](O)(CCCO)c1ccccc1F 259489881 573531106 /nfs/dbraw/zinc/53/11/06/573531106.db2.gz YVIBFOGVHVWKFU-LLVKDONJSA-N 0 0 198.237 1.806 10 0 ADAERN CC(=O)C[C@H]1N=C(C)[C@H](C)S1 238430354 573531113 /nfs/dbraw/zinc/53/11/13/573531113.db2.gz VATABQGMNDIEON-YUMQZZPRSA-N 0 0 171.265 1.888 10 0 ADAERN NOCc1ccc2cnoc2c1 258058190 573531116 /nfs/dbraw/zinc/53/11/16/573531116.db2.gz SGMVWCPXWDICOE-UHFFFAOYSA-N 0 0 164.164 1.218 10 0 ADAERN CCSCC(=N)OC 83485983 573531130 /nfs/dbraw/zinc/53/11/30/573531130.db2.gz AOKBBVMRJNUFTG-UHFFFAOYSA-N 0 0 133.216 1.363 10 0 ADAERN CN(C)c1cc(CCCO)ccc1F 259493021 573531132 /nfs/dbraw/zinc/53/11/32/573531132.db2.gz QEPGKYHXDIWGRH-UHFFFAOYSA-N 0 0 197.253 1.817 10 0 ADAERN COc1c(N)ncc(C(F)F)c1F 238429293 573531142 /nfs/dbraw/zinc/53/11/42/573531142.db2.gz ABBDOHXPPXJFKM-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CC(=O)c1oc(N(C)C)nc1C 107331021 573531150 /nfs/dbraw/zinc/53/11/50/573531150.db2.gz UMIAWWORLONWNA-UHFFFAOYSA-N 0 0 168.196 1.252 10 0 ADAERN C[C@H](CO)C1OCC(C)(C)CO1 238430312 573531156 /nfs/dbraw/zinc/53/11/56/573531156.db2.gz CTVUEDPUPOCYCS-SSDOTTSWSA-N 0 0 174.240 1.014 10 0 ADAERN C[C@H](O)c1ccc2c(c1)OCC(=O)N2 258059231 573531162 /nfs/dbraw/zinc/53/11/62/573531162.db2.gz LFSGLSRORXKYEJ-LURJTMIESA-N 0 0 193.202 1.071 10 0 ADAERN COC(=O)/C(C)=C/COCC(F)F 130401662 573531164 /nfs/dbraw/zinc/53/11/64/573531164.db2.gz ZNCJRHPXNSYYBR-ZZXKWVIFSA-N 0 0 194.177 1.387 10 0 ADAERN Nc1c[nH]c2nc(=S)sc-2c1 258058352 573531169 /nfs/dbraw/zinc/53/11/69/573531169.db2.gz SIXKPVICLAMOQT-UHFFFAOYSA-N 0 0 183.261 1.562 10 0 ADAERN C[C@@H]1CC=CC[C@@H]1C1OCC(O)CO1 238429332 573531178 /nfs/dbraw/zinc/53/11/78/573531178.db2.gz QQGJSDWGKUBCSJ-VKAADOFISA-N 0 0 198.262 1.323 10 0 ADAERN Cc1cc(CCCO)c(F)cc1O 258059203 573531330 /nfs/dbraw/zinc/53/13/30/573531330.db2.gz LEWUZLQAUWDGQR-UHFFFAOYSA-N 0 0 184.210 1.765 10 0 ADAERN CNc1nc(CC(C)C)n(C)n1 107331331 573531194 /nfs/dbraw/zinc/53/11/94/573531194.db2.gz GIQPXHFMYIDVFY-UHFFFAOYSA-N 0 0 168.244 1.055 10 0 ADAERN [NH3+]Cc1cc2c(s1)COCC2 107332048 573531209 /nfs/dbraw/zinc/53/12/09/573531209.db2.gz DZBXSGGEBBBNAI-UHFFFAOYSA-N 0 0 169.249 1.280 10 0 ADAERN COc1cc(C[C@@H](C)O)ccc1C 258058239 573531215 /nfs/dbraw/zinc/53/12/15/573531215.db2.gz SHOGITWFRICSBG-SECBINFHSA-N 0 0 180.247 1.927 10 0 ADAERN CC[C@H](C)C(=O)[C@@H]1CCC(=O)C1 86622524 573531335 /nfs/dbraw/zinc/53/13/35/573531335.db2.gz FMFLTORPMVXVNB-JGVFFNPUSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)N1C(=O)Cc2ccc(N)cc21 258059462 573531247 /nfs/dbraw/zinc/53/12/47/573531247.db2.gz LQQRSCJUPLFDGE-UHFFFAOYSA-N 0 0 190.246 1.566 10 0 ADAERN Cc1ccc([C@@H]([NH3+])[C@@H](C)CC(=O)[O-])o1 259493091 573531265 /nfs/dbraw/zinc/53/12/65/573531265.db2.gz TVXWELRVNZWVFX-WKEGUHRASA-N 0 0 197.234 1.699 10 0 ADAERN CCc1cccc(CCO)c1OC 258052486 573531289 /nfs/dbraw/zinc/53/12/89/573531289.db2.gz RQQDVISWWJTGOV-UHFFFAOYSA-N 0 0 180.247 1.792 10 0 ADAERN CC[C@]1(CO)Cc2ccc(F)cc2N1 258052062 573531903 /nfs/dbraw/zinc/53/19/03/573531903.db2.gz FRVFMSITUDKZEE-LLVKDONJSA-N 0 0 195.237 1.935 10 0 ADAERN C[C@@H](ON)[C@H]1CCCSC1 259490649 573531744 /nfs/dbraw/zinc/53/17/44/573531744.db2.gz PKLHFNXAERZLNN-RQJHMYQMSA-N 0 0 161.270 1.408 10 0 ADAERN C[C@@]12CCCC[C@@H]1CC(=O)NC2=O 238429273 573531745 /nfs/dbraw/zinc/53/17/45/573531745.db2.gz XCPJPRKCKKFGPW-GMSGAONNSA-N 0 0 181.235 1.229 10 0 ADAERN CC1=N[C@](C)([C@H](C)O)S[C@@H]1C 238430348 573533726 /nfs/dbraw/zinc/53/37/26/573533726.db2.gz GYPNVICASLNDMR-CSMHCCOUSA-N 0 0 173.281 1.680 10 0 ADAERN O=C1NC[C@@H](C2CCSCC2)O1 257828602 573531878 /nfs/dbraw/zinc/53/18/78/573531878.db2.gz ILKPRXBPBOLJHR-ZETCQYMHSA-N 0 0 187.264 1.238 10 0 ADAERN Cc1cccc([C@@H](F)[C@H]([NH3+])C(=O)[O-])c1 257828980 573531722 /nfs/dbraw/zinc/53/17/22/573531722.db2.gz IPEMTNKFDDDGTD-BDAKNGLRSA-N 0 0 197.209 1.418 10 0 ADAERN COc1ccc2c(c1)C[C@H](CCO)C2 257828094 573531738 /nfs/dbraw/zinc/53/17/38/573531738.db2.gz IGMJQQXISJFJEO-SECBINFHSA-N 0 0 192.258 1.792 10 0 ADAERN COc1nccc2oc(Cl)nc12 238429065 573531755 /nfs/dbraw/zinc/53/17/55/573531755.db2.gz ALLPNAKYXZDNTF-UHFFFAOYSA-N 0 0 184.582 1.885 10 0 ADAERN [NH3+]CCc1cc(F)c(F)cc1O 107333313 573531776 /nfs/dbraw/zinc/53/17/76/573531776.db2.gz BOSJSWVZLVPIHM-UHFFFAOYSA-N 0 0 173.162 1.172 10 0 ADAERN COc1c(N)ncc(F)c1C(F)F 238429619 573531792 /nfs/dbraw/zinc/53/17/92/573531792.db2.gz HCLNMECMYAYOMT-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CC(=O)N[C@@H](C)c1cnccc1Cl 238432187 573531800 /nfs/dbraw/zinc/53/18/00/573531800.db2.gz GEADTDSFBRQDBY-LURJTMIESA-N 0 0 198.653 1.932 10 0 ADAERN Cc1ccc(CCO)c(O)c1F 258052423 573531807 /nfs/dbraw/zinc/53/18/07/573531807.db2.gz RPTILCBMQQFDQJ-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN CC(C)SCc1nccc(CO)n1 83489771 573531813 /nfs/dbraw/zinc/53/18/13/573531813.db2.gz WQTJPGKJCZHGRV-UHFFFAOYSA-N 0 0 198.291 1.611 10 0 ADAERN C[C@@H](O)c1ccc(C2COC2)cc1 258058214 573531856 /nfs/dbraw/zinc/53/18/56/573531856.db2.gz SGYKUASZOQKJFG-MRVPVSSYSA-N 0 0 178.231 1.854 10 0 ADAERN Cc1cccc([C@H](F)[C@@H]([NH3+])C(=O)[O-])c1 257828981 573531866 /nfs/dbraw/zinc/53/18/66/573531866.db2.gz IPEMTNKFDDDGTD-DTWKUNHWSA-N 0 0 197.209 1.418 10 0 ADAERN OCCc1ccc2c(c1O)CCC2 258054399 573533062 /nfs/dbraw/zinc/53/30/62/573533062.db2.gz RTCCJLGQSBGARF-UHFFFAOYSA-N 0 0 178.231 1.416 10 0 ADAERN CC(=O)c1cn2cc(C)nc2s1 107340577 573535198 /nfs/dbraw/zinc/53/51/98/573535198.db2.gz CKYSLFXILAIKII-UHFFFAOYSA-N 0 0 180.232 1.907 10 0 ADAERN CSc1cnc(NC(C)=O)s1 238434027 573535210 /nfs/dbraw/zinc/53/52/10/573535210.db2.gz YRLHYWSVUBHQBA-UHFFFAOYSA-N 0 0 188.277 1.823 10 0 ADAERN Cc1nc(C=O)n2c(F)cccc12 107336738 573535224 /nfs/dbraw/zinc/53/52/24/573535224.db2.gz XVLIVBMFAIUSSE-UHFFFAOYSA-N 0 0 178.166 1.594 10 0 ADAERN CC(=O)c1ccc2c(c1F)CCO2 258054317 573535227 /nfs/dbraw/zinc/53/52/27/573535227.db2.gz RREZBQVFLDHAPD-UHFFFAOYSA-N 0 0 180.178 1.963 10 0 ADAERN CNC(=O)Nc1ccc(C=O)cc1F 257828895 573535233 /nfs/dbraw/zinc/53/52/33/573535233.db2.gz ILNXXSTWKSHOGM-UHFFFAOYSA-N 0 0 196.181 1.390 10 0 ADAERN Cc1cccc2c1CC[C@](O)(CO)C2 257828961 573535241 /nfs/dbraw/zinc/53/52/41/573535241.db2.gz IOLZESORASQCMQ-GFCCVEGCSA-N 0 0 192.258 1.207 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)OC(C)(C)C 83502327 573535243 /nfs/dbraw/zinc/53/52/43/573535243.db2.gz ZKLOWZYRIPLSEG-NKWVEPMBSA-N 0 0 171.240 1.920 10 0 ADAERN Cc1cc(CCO)cc(N(C)C)c1C 259491282 573532735 /nfs/dbraw/zinc/53/27/35/573532735.db2.gz PYCFMWYOJACEAL-UHFFFAOYSA-N 0 0 193.290 1.904 10 0 ADAERN O[C@@]1(CCc2ccsc2)CCOC1 83504232 573532741 /nfs/dbraw/zinc/53/27/41/573532741.db2.gz IHGLBEIAGMMNPX-JTQLQIEISA-N 0 0 198.287 1.832 10 0 ADAERN CCOC(=O)Cc1cc(N(C)C)c[nH]1 259614197 573532791 /nfs/dbraw/zinc/53/27/91/573532791.db2.gz FGJZYBFLSPBIKR-UHFFFAOYSA-N 0 0 196.250 1.186 10 0 ADAERN C[C@H]1C=CC(C)(C)[C@H](O)C1 238429824 573532804 /nfs/dbraw/zinc/53/28/04/573532804.db2.gz RFRMQBHXNGQGGS-JGVFFNPUSA-N 0 0 140.226 1.970 10 0 ADAERN C[C@@H]1C[C@@H](O)C(C)(C)CS1 238429840 573532811 /nfs/dbraw/zinc/53/28/11/573532811.db2.gz JWWDUDKDNXMDAZ-RNFRBKRXSA-N 0 0 160.282 1.899 10 0 ADAERN CC(=O)N[C@@H]1CC=CC[C@H]1C 238430080 573532822 /nfs/dbraw/zinc/53/28/22/573532822.db2.gz CJATWUBHRWHIOC-VXNVDRBHSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@@H](O)COCCC(F)(F)F 126407306 573532825 /nfs/dbraw/zinc/53/28/25/573532825.db2.gz UHWIZMNUMJGFAV-RXMQYKEDSA-N 0 0 172.146 1.336 10 0 ADAERN OC1(Cc2cccs2)CCOCC1 83504140 573532844 /nfs/dbraw/zinc/53/28/44/573532844.db2.gz YGLJDBIZAJHMHA-UHFFFAOYSA-N 0 0 198.287 1.832 10 0 ADAERN CC(C)C(=O)N[C@H](C)Cc1ccoc1 585243500 573532845 /nfs/dbraw/zinc/53/28/45/573532845.db2.gz BMDTYVDGONCCDM-SECBINFHSA-N 0 0 195.262 1.983 10 0 ADAERN C[C@@H]1O[C@H]2CCCC[C@@H]2C1=O 238430163 573532846 /nfs/dbraw/zinc/53/28/46/573532846.db2.gz ZJDPSNLCILWZOK-FXQIFTODSA-N 0 0 154.209 1.533 10 0 ADAERN CCS[C@@H]1CC[C@]([NH3+])(C(=O)[O-])C1 86629940 573532854 /nfs/dbraw/zinc/53/28/54/573532854.db2.gz UURHBOVWJIDGSH-HTRCEHHLSA-N 0 0 189.280 1.074 10 0 ADAERN CN(C)c1cc(CO)ccc1F 259491289 573532857 /nfs/dbraw/zinc/53/28/57/573532857.db2.gz PYKKXMUEMTXINL-UHFFFAOYSA-N 0 0 169.199 1.384 10 0 ADAERN CC(C)CCC1(O)CCOCC1 83504146 573535252 /nfs/dbraw/zinc/53/52/52/573535252.db2.gz XVCBMZIMVQCDQA-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN O=Cc1cn(CC(F)(F)F)cn1 107336671 573535253 /nfs/dbraw/zinc/53/52/53/573535253.db2.gz PKDYPFOFHXQHCN-UHFFFAOYSA-N 0 0 178.113 1.258 10 0 ADAERN C[C@@H]1Sc2nccnc2N[C@]1(C)O 238433746 573535254 /nfs/dbraw/zinc/53/52/54/573535254.db2.gz BJGMHNJRQKGRMD-YLWLKBPMSA-N 0 0 197.263 1.091 10 0 ADAERN C[C@@H]([NH3+])c1ccc(O)cc1C(=O)[O-] 238429302 573532905 /nfs/dbraw/zinc/53/29/05/573532905.db2.gz NCUUFTONSVBUDR-RXMQYKEDSA-N 0 0 181.191 1.110 10 0 ADAERN CC(C)[C@H]1C=C(C(=O)[O-])CC[N@@H+]1C 257828627 573532906 /nfs/dbraw/zinc/53/29/06/573532906.db2.gz IMTOLMOLJATWEF-SECBINFHSA-N 0 0 183.251 1.358 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@@H](C)CC(=O)[O-])o1 259493090 573532910 /nfs/dbraw/zinc/53/29/10/573532910.db2.gz TVXWELRVNZWVFX-QUBYGPBYSA-N 0 0 197.234 1.699 10 0 ADAERN COc1ccc2c(c1)C[C@@H](CCO)C2 257828095 573532914 /nfs/dbraw/zinc/53/29/14/573532914.db2.gz IGMJQQXISJFJEO-VIFPVBQESA-N 0 0 192.258 1.792 10 0 ADAERN CC(C)=C/C=C/[C@@](C)(O)[C@H](C)O 238429275 573532925 /nfs/dbraw/zinc/53/29/25/573532925.db2.gz RWNLQIBPTCEJDS-IUUOVRRDSA-N 0 0 170.252 1.641 10 0 ADAERN C[C@@H]1CC=CCCC1=O 238429200 573532933 /nfs/dbraw/zinc/53/29/33/573532933.db2.gz OKPOQOAZILEEGF-SSDOTTSWSA-N 0 0 124.183 1.932 10 0 ADAERN C[C@@]1(O)CCNc2cc(O)ccc21 257828186 573532950 /nfs/dbraw/zinc/53/29/50/573532950.db2.gz IHELTSWGGFZOMR-SNVBAGLBSA-N 0 0 179.219 1.415 10 0 ADAERN CC[C@](O)(COC)Cc1ccoc1 130418752 573532952 /nfs/dbraw/zinc/53/29/52/573532952.db2.gz CUHKVGPWPGFSRB-SNVBAGLBSA-N 0 0 184.235 1.610 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@@H]1CCCC[NH2+]1 107347467 573535259 /nfs/dbraw/zinc/53/52/59/573535259.db2.gz MRYXXFKJOKIRBC-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1C[NH2+]C1CCCCC1 258755584 573533000 /nfs/dbraw/zinc/53/30/00/573533000.db2.gz XJSDEPGNEYXBAB-PSASIEDQSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@]1(O)CCNc2cc(O)ccc21 257828185 573533005 /nfs/dbraw/zinc/53/30/05/573533005.db2.gz IHELTSWGGFZOMR-JTQLQIEISA-N 0 0 179.219 1.415 10 0 ADAERN [NH3+]Cc1ncccc1OCC(F)F 130416487 573533015 /nfs/dbraw/zinc/53/30/15/573533015.db2.gz NHEXLYNQNSZLPA-UHFFFAOYSA-N 0 0 188.177 1.184 10 0 ADAERN Cc1cccc2c1N[C@H](CO)CC2 107336479 573533029 /nfs/dbraw/zinc/53/30/29/573533029.db2.gz OHEUQASTTPUEKK-JTQLQIEISA-N 0 0 177.247 1.714 10 0 ADAERN C[C@@H](C=C1CC1)CO 238430382 573533044 /nfs/dbraw/zinc/53/30/44/573533044.db2.gz NWANVXACOHFMJN-LURJTMIESA-N 0 0 112.172 1.335 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 83502324 573533046 /nfs/dbraw/zinc/53/30/46/573533046.db2.gz ZKLOWZYRIPLSEG-RQJHMYQMSA-N 0 0 171.240 1.920 10 0 ADAERN C[C@H](CO)c1cnc(C2CC2)o1 258055623 573533051 /nfs/dbraw/zinc/53/30/51/573533051.db2.gz LERCGHZNXPOGRY-ZCFIWIBFSA-N 0 0 167.208 1.648 10 0 ADAERN CC(=O)[C@H](F)C1CCC1 257828832 573533053 /nfs/dbraw/zinc/53/30/53/573533053.db2.gz IPEOTXKPCQOQOX-ZETCQYMHSA-N 0 0 130.162 1.714 10 0 ADAERN C[C@H]1C=Cc2cc(C=O)c(O)cc2O1 238431172 573535263 /nfs/dbraw/zinc/53/52/63/573535263.db2.gz CGAFIABPFOCAES-ZETCQYMHSA-N 0 0 190.198 1.999 10 0 ADAERN C[C@@H]1O[C@H](O)c2ccccc2C1=O 238429836 573533067 /nfs/dbraw/zinc/53/30/67/573533067.db2.gz LDGJHAKWHHBUEY-WKEGUHRASA-N 0 0 178.187 1.279 10 0 ADAERN C[C@@]1(C(=O)[O-])CC[C@@H]2CCCC[N@@H+]21 257828192 573533071 /nfs/dbraw/zinc/53/30/71/573533071.db2.gz IHPWKFXTLGHGCB-WPRPVWTQSA-N 0 0 183.251 1.478 10 0 ADAERN CC(C)n1cnc(CN(C)C)c1 258054766 573533081 /nfs/dbraw/zinc/53/30/81/573533081.db2.gz FUXWJMVYEHYGPP-UHFFFAOYSA-N 0 0 167.256 1.526 10 0 ADAERN C[C@@H]1CCNC(=O)C1(Cl)Cl 238429877 573533082 /nfs/dbraw/zinc/53/30/82/573533082.db2.gz NNXJBZUAUXVEMI-SCSAIBSYSA-N 0 0 182.050 1.316 10 0 ADAERN C[C@H](O)[C@]1(C)CC[C@@H]1C(C)(C)O 238430179 573533089 /nfs/dbraw/zinc/53/30/89/573533089.db2.gz XUADIWMICTXKRX-XKSSXDPKSA-N 0 0 172.268 1.554 10 0 ADAERN Cc1cccc2c1CC[C@@](O)(CO)C2 257828962 573533094 /nfs/dbraw/zinc/53/30/94/573533094.db2.gz IOLZESORASQCMQ-LBPRGKRZSA-N 0 0 192.258 1.207 10 0 ADAERN C[C@@H]1C[C@@H](O)C(C)(C)C1 238429801 573533098 /nfs/dbraw/zinc/53/30/98/573533098.db2.gz ZGZJOIRJSKEWPF-RNFRBKRXSA-N 0 0 128.215 1.803 10 0 ADAERN Cc1ncc(N)c(C(F)F)n1 95097708 573533112 /nfs/dbraw/zinc/53/31/12/573533112.db2.gz INDGXLFKPRATHD-UHFFFAOYSA-N 0 0 159.139 1.305 10 0 ADAERN CCCCC[C@]1(O)CCOC1 83504212 573533122 /nfs/dbraw/zinc/53/31/22/573533122.db2.gz RCILJVMGNJFYRS-VIFPVBQESA-N 0 0 158.241 1.718 10 0 ADAERN CC(=O)c1cnc(OC(C)C)nc1 107340030 573533124 /nfs/dbraw/zinc/53/31/24/573533124.db2.gz BBAKGXVKBQMYLG-UHFFFAOYSA-N 0 0 180.207 1.466 10 0 ADAERN CC(C)[C@@H]1C=C(C(=O)[O-])CC[N@@H+]1C 257828628 573533131 /nfs/dbraw/zinc/53/31/31/573533131.db2.gz IMTOLMOLJATWEF-VIFPVBQESA-N 0 0 183.251 1.358 10 0 ADAERN CCCCC[C@@H](CCOCC)NN 130414151 573533134 /nfs/dbraw/zinc/53/31/34/573533134.db2.gz NZUMGERPMVEELT-JTQLQIEISA-N 0 0 188.315 1.825 10 0 ADAERN Cc1ccc(O)c(-c2cnoc2N)c1 258053787 573533140 /nfs/dbraw/zinc/53/31/40/573533140.db2.gz KXFSGHQLXVFHJH-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN NC(=S)CSC1CCCC1 83500309 573533145 /nfs/dbraw/zinc/53/31/45/573533145.db2.gz UVGSPUPPBDJZSP-UHFFFAOYSA-N 0 0 175.322 1.948 10 0 ADAERN C[C@@]12CCCC[C@@H]1C(=O)NC2 238429010 573533147 /nfs/dbraw/zinc/53/31/47/573533147.db2.gz AOOASDVDOYWUQY-APPZFPTMSA-N 0 0 153.225 1.313 10 0 ADAERN CC[C@@H](C)CC1(O)CCOCC1 83504153 573533163 /nfs/dbraw/zinc/53/31/63/573533163.db2.gz IUVDSWIUDFBPIL-SECBINFHSA-N 0 0 172.268 1.964 10 0 ADAERN O=C1NC[C@@H](c2ccccc2O)O1 107338209 573533165 /nfs/dbraw/zinc/53/31/65/573533165.db2.gz RJGLRERXDPQJHM-QMMMGPOBSA-N 0 0 179.175 1.173 10 0 ADAERN C[C@H](O)[C@@]1(C)C=CCC1 238429981 573533175 /nfs/dbraw/zinc/53/31/75/573533175.db2.gz NAPXSQJEKIHFPI-YUMQZZPRSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@@]12CCCC[C@@H]1NC(=O)NC2 238430088 573533182 /nfs/dbraw/zinc/53/31/82/573533182.db2.gz BSBIYALOJBUORS-CBAPKCEASA-N 0 0 168.240 1.248 10 0 ADAERN C[C@H](O)[C@]1(C)CCCC1=O 238430042 573533199 /nfs/dbraw/zinc/53/31/99/573533199.db2.gz VIOKPHWGSVYQAK-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H]1O[C@H]2CCCC(=O)[C@@]23C[C@@H]13 238430145 573533212 /nfs/dbraw/zinc/53/32/12/573533212.db2.gz PWKLABVITNAFSD-YIKMNZTOSA-N 0 0 166.220 1.533 10 0 ADAERN CC(C)(F)[C@@](C[NH3+])(C(=O)[O-])C1CC1 257828978 573533220 /nfs/dbraw/zinc/53/32/20/573533220.db2.gz IPDCWOWMYMVSDJ-SECBINFHSA-N 0 0 189.230 1.174 10 0 ADAERN CCCC[C@](C)(O)COC 83503867 573535270 /nfs/dbraw/zinc/53/52/70/573535270.db2.gz HDDDOAVHZRDJQP-QMMMGPOBSA-N 0 0 146.230 1.574 10 0 ADAERN C[C@H]1CCCn2c(CCCO)nnc21 258056027 573533259 /nfs/dbraw/zinc/53/32/59/573533259.db2.gz DBENTIIVQVTWIN-QMMMGPOBSA-N 0 0 195.266 1.100 10 0 ADAERN O=Cc1c2c(nn1C1CCC1)COC2 257828935 573533278 /nfs/dbraw/zinc/53/32/78/573533278.db2.gz INMXCHWFBAGHRD-UHFFFAOYSA-N 0 0 192.218 1.451 10 0 ADAERN CC1(C2CCC(O)CC2)COC1 258755868 573533288 /nfs/dbraw/zinc/53/32/88/573533288.db2.gz ROFKAHWDOCOQMC-UHFFFAOYSA-N 0 0 170.252 1.574 10 0 ADAERN Cn1nc(N)c2c1CCCC2(F)F 257828123 573533289 /nfs/dbraw/zinc/53/32/89/573533289.db2.gz IDKZUVSTLAWSDG-UHFFFAOYSA-N 0 0 187.193 1.430 10 0 ADAERN C[C@H]1C=C[C@H](O)CS1 238429298 573533292 /nfs/dbraw/zinc/53/32/92/573533292.db2.gz BCQGANIZMJCQJG-WDSKDSINSA-N 0 0 130.212 1.039 10 0 ADAERN COCc1ccc(F)c(CO)c1 258054408 573533316 /nfs/dbraw/zinc/53/33/16/573533316.db2.gz RTHKSPFZWHYQAW-UHFFFAOYSA-N 0 0 170.183 1.464 10 0 ADAERN NOCCc1ccccc1C1COC1 258053562 573533331 /nfs/dbraw/zinc/53/33/31/573533331.db2.gz KSFXSABXPZRZKC-UHFFFAOYSA-N 0 0 193.246 1.233 10 0 ADAERN CSC(=O)c1cc(N)nn1C(C)C 258054313 573533339 /nfs/dbraw/zinc/53/33/39/573533339.db2.gz FXIYDDNVNMAKDT-UHFFFAOYSA-N 0 0 199.279 1.549 10 0 ADAERN CC(=O)c1ncc2c(F)cccn12 107336735 573533345 /nfs/dbraw/zinc/53/33/45/573533345.db2.gz HHOMUCJDEGVYGP-UHFFFAOYSA-N 0 0 178.166 1.676 10 0 ADAERN CC(C)SCc1ncc(N)cn1 83488386 573533348 /nfs/dbraw/zinc/53/33/48/573533348.db2.gz HAORLPTXTLABAH-UHFFFAOYSA-N 0 0 183.280 1.700 10 0 ADAERN CNC(=O)N(C)CCC1CCCC1 258758419 573533361 /nfs/dbraw/zinc/53/33/61/573533361.db2.gz VLGKNGAJTISLOI-UHFFFAOYSA-N 0 0 184.283 1.838 10 0 ADAERN COc1ccc(CC2(O)CC2)c(F)c1 258053744 573533375 /nfs/dbraw/zinc/53/33/75/573533375.db2.gz KVZYNMURGBILIS-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN COC(=O)CCCOCC(F)F 130408351 573533377 /nfs/dbraw/zinc/53/33/77/573533377.db2.gz YWWFQSUHVZPNCG-UHFFFAOYSA-N 0 0 182.166 1.221 10 0 ADAERN Cc1nn([C@H]2CS[C@@H](C)C2)cc1N 716733152 573533409 /nfs/dbraw/zinc/53/34/09/573533409.db2.gz ZLFQGWPVJDJTID-POYBYMJQSA-N 0 0 197.307 1.840 10 0 ADAERN CC(C)(C)SCc1ncnc(N)n1 83491152 573533412 /nfs/dbraw/zinc/53/34/12/573533412.db2.gz ANFSDDAEKDVKIQ-UHFFFAOYSA-N 0 0 198.295 1.486 10 0 ADAERN OCC1(c2nc(C3CCC3)c[nH]2)CC1 259104172 573533417 /nfs/dbraw/zinc/53/34/17/573533417.db2.gz OKLRKCUYRSHLJW-UHFFFAOYSA-N 0 0 192.262 1.701 10 0 ADAERN COc1ccccc1[C@@H](CCO)ON 257828421 573533418 /nfs/dbraw/zinc/53/34/18/573533418.db2.gz IHAVLSHRDATOSR-SNVBAGLBSA-N 0 0 197.234 1.009 10 0 ADAERN CCOC(=O)[C@H](CC)OCC(F)F 130403658 573533422 /nfs/dbraw/zinc/53/34/22/573533422.db2.gz QCTPFAJVXLQMHP-LURJTMIESA-N 0 0 196.193 1.610 10 0 ADAERN CCc1nc(N)nc2c(F)cccc12 257828946 573533435 /nfs/dbraw/zinc/53/34/35/573533435.db2.gz IOBPOGVKUKPXKG-UHFFFAOYSA-N 0 0 191.209 1.914 10 0 ADAERN C[C@@H]1C[C@@H](O)CC(C)(C)O1 238430211 573533449 /nfs/dbraw/zinc/53/34/49/573533449.db2.gz YZGRGGXYDLIMDW-RNFRBKRXSA-N 0 0 144.214 1.325 10 0 ADAERN Cc1cccc([C@H](F)[C@H]([NH3+])C(=O)[O-])c1 257828982 573533465 /nfs/dbraw/zinc/53/34/65/573533465.db2.gz IPEMTNKFDDDGTD-IUCAKERBSA-N 0 0 197.209 1.418 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 83502326 573533474 /nfs/dbraw/zinc/53/34/74/573533474.db2.gz ZKLOWZYRIPLSEG-RNFRBKRXSA-N 0 0 171.240 1.920 10 0 ADAERN CC(C)c1ncc2n1CCC(=O)C2 107337589 573533546 /nfs/dbraw/zinc/53/35/46/573533546.db2.gz YYWULNDXQQZPRM-UHFFFAOYSA-N 0 0 178.235 1.522 10 0 ADAERN CC(=O)N[C@H]1CC=CC[C@H]1C 238429616 573533547 /nfs/dbraw/zinc/53/35/47/573533547.db2.gz CJATWUBHRWHIOC-APPZFPTMSA-N 0 0 153.225 1.477 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H]1/C=C\C(=O)[O-] 258054015 573533563 /nfs/dbraw/zinc/53/35/63/573533563.db2.gz DHMWDVWOQHSYOH-SSJHQANKSA-N 0 0 183.251 1.500 10 0 ADAERN CCOC(CC(C)(C)CO)OCC 257828945 573533569 /nfs/dbraw/zinc/53/35/69/573533569.db2.gz INZLCAZEEBATKZ-UHFFFAOYSA-N 0 0 190.283 1.794 10 0 ADAERN COCc1ccc(CCCO)cc1 258054521 573533571 /nfs/dbraw/zinc/53/35/71/573533571.db2.gz RVVAFKXDKUPWFZ-UHFFFAOYSA-N 0 0 180.247 1.758 10 0 ADAERN C[C@@H]1COc2ccc(C=O)cc2O1 257828617 573533576 /nfs/dbraw/zinc/53/35/76/573533576.db2.gz IMIIDLYDUFMTFO-SSDOTTSWSA-N 0 0 178.187 1.659 10 0 ADAERN CC(=O)Cc1coc([C@@H]2CCCO2)n1 258053567 573533579 /nfs/dbraw/zinc/53/35/79/573533579.db2.gz LAGVDGDZEOPIPP-VIFPVBQESA-N 0 0 195.218 1.658 10 0 ADAERN O=C1NC[C@H](c2ccccc2O)O1 107338211 573535281 /nfs/dbraw/zinc/53/52/81/573535281.db2.gz RJGLRERXDPQJHM-MRVPVSSYSA-N 0 0 179.175 1.173 10 0 ADAERN C[C@@H]1CC=CC(C)(C)[C@H]1O 238429081 573533601 /nfs/dbraw/zinc/53/36/01/573533601.db2.gz QGRYBDZLOZVGIL-SFYZADRCSA-N 0 0 140.226 1.970 10 0 ADAERN COc1c(C)cc(C=O)c(F)c1OC 257828532 573535285 /nfs/dbraw/zinc/53/52/85/573535285.db2.gz IKXVBLJJKDIFRM-UHFFFAOYSA-N 0 0 198.193 1.964 10 0 ADAERN Cc1ccc(O)c([C@@H](C)CO)c1F 258053778 573533611 /nfs/dbraw/zinc/53/36/11/573533611.db2.gz KXCOQTRVCUTJSV-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN Cc1ccc(NCCCCO)o1 259104720 573533615 /nfs/dbraw/zinc/53/36/15/573533615.db2.gz UWMVEONTIIYGBR-UHFFFAOYSA-N 0 0 169.224 1.772 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@@H]1CCCC[NH2+]1 107347469 573533623 /nfs/dbraw/zinc/53/36/23/573533623.db2.gz MRYXXFKJOKIRBC-DTWKUNHWSA-N 0 0 185.267 1.485 10 0 ADAERN COC(=O)C(F)(F)c1ccc(C)o1 257828100 573533626 /nfs/dbraw/zinc/53/36/26/573533626.db2.gz IHALCOLEKXJLQH-UHFFFAOYSA-N 0 0 190.145 1.853 10 0 ADAERN CCOc1ccc(C)cc1CNO 258054516 573533631 /nfs/dbraw/zinc/53/36/31/573533631.db2.gz RVPJFETVYSBGPW-UHFFFAOYSA-N 0 0 181.235 1.873 10 0 ADAERN C[C@@H](CO)c1cnc(C2CC2)o1 258055620 573533642 /nfs/dbraw/zinc/53/36/42/573533642.db2.gz LERCGHZNXPOGRY-LURJTMIESA-N 0 0 167.208 1.648 10 0 ADAERN Nc1ccccc1[C@@H]1CNC(=O)O1 107337042 573533644 /nfs/dbraw/zinc/53/36/44/573533644.db2.gz WBTYIGHFNMROHH-QMMMGPOBSA-N 0 0 178.191 1.050 10 0 ADAERN C[C@H](CO)C1=CC=CC1 238430141 573533660 /nfs/dbraw/zinc/53/36/60/573533660.db2.gz RZBWHWPZSRVKNJ-SSDOTTSWSA-N 0 0 124.183 1.501 10 0 ADAERN O[C@]1(Cc2cccs2)CCOC1 83504239 573533661 /nfs/dbraw/zinc/53/36/61/573533661.db2.gz SDHMEWYQNCETHZ-VIFPVBQESA-N 0 0 184.260 1.442 10 0 ADAERN CC(C)c1cn2c(n1)CC(=O)CC2 107337609 573533706 /nfs/dbraw/zinc/53/37/06/573533706.db2.gz BEZZXBAFOSMAKW-UHFFFAOYSA-N 0 0 178.235 1.522 10 0 ADAERN CCCc1nnc2n1[C@@H](CO)CCC2 258056002 573533735 /nfs/dbraw/zinc/53/37/35/573533735.db2.gz DAXZFKCPCABWRE-MRVPVSSYSA-N 0 0 195.266 1.100 10 0 ADAERN Cc1c(F)ccc(O)c1CCO 258054534 573533746 /nfs/dbraw/zinc/53/37/46/573533746.db2.gz RWHAUGBUPHUOQV-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN Nc1ccc([C@H]2CCNC(=O)N2)cc1 257828936 573533748 /nfs/dbraw/zinc/53/37/48/573533748.db2.gz INNXLMZYGYDCTP-SECBINFHSA-N 0 0 191.234 1.013 10 0 ADAERN CC(C)OC[C@@H](O)c1ccccc1O 258054652 573533755 /nfs/dbraw/zinc/53/37/55/573533755.db2.gz KHXMEUOHIHAWHB-LLVKDONJSA-N 0 0 196.246 1.851 10 0 ADAERN O[C@@]1(Cc2ccsc2)CCOC1 83504250 573533759 /nfs/dbraw/zinc/53/37/59/573533759.db2.gz UPHKTSZDIHTNRG-SECBINFHSA-N 0 0 184.260 1.442 10 0 ADAERN C[C@@H](O)CC=C1C=CC=C1 238429032 573534120 /nfs/dbraw/zinc/53/41/20/573534120.db2.gz QEDUAKQJNIHUNB-MRVPVSSYSA-N 0 0 136.194 1.810 10 0 ADAERN C[C@@]1(O)CCNc2cccc(F)c21 257828166 573533762 /nfs/dbraw/zinc/53/37/62/573533762.db2.gz IFXDVOYVNKGYHF-SNVBAGLBSA-N 0 0 181.210 1.849 10 0 ADAERN CCOC(=O)c1n[nH]c(C)c1C1CC1 259493699 573533798 /nfs/dbraw/zinc/53/37/98/573533798.db2.gz SZDIEGDXCKBORT-UHFFFAOYSA-N 0 0 194.234 1.772 10 0 ADAERN Nc1ccc([C@@H]2CCNC(=O)N2)cc1 257828937 573533813 /nfs/dbraw/zinc/53/38/13/573533813.db2.gz INNXLMZYGYDCTP-VIFPVBQESA-N 0 0 191.234 1.013 10 0 ADAERN O=C([O-])c1ncc2ccc(F)cn12 107339855 573533825 /nfs/dbraw/zinc/53/38/25/573533825.db2.gz JVSBIIKPOXMGQU-UHFFFAOYSA-N 0 0 180.138 1.172 10 0 ADAERN COC(=O)[C@@]1(C)CC(C)(C)CCN1 258054358 573533829 /nfs/dbraw/zinc/53/38/29/573533829.db2.gz RRUKKKOLKSYIHN-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN O=Cc1cc(F)c2c(c1)COCO2 107343567 573533839 /nfs/dbraw/zinc/53/38/39/573533839.db2.gz JRJKHCYKTNJZRX-UHFFFAOYSA-N 0 0 182.150 1.505 10 0 ADAERN C[C@@H]1CCCn2c(CCCO)nnc21 258056024 573533843 /nfs/dbraw/zinc/53/38/43/573533843.db2.gz DBENTIIVQVTWIN-MRVPVSSYSA-N 0 0 195.266 1.100 10 0 ADAERN Cc1nc(C=O)n2cccc(F)c12 107336736 573533846 /nfs/dbraw/zinc/53/38/46/573533846.db2.gz VQJRXGVWEPHUPU-UHFFFAOYSA-N 0 0 178.166 1.594 10 0 ADAERN CCCCOC(=O)COCC(F)F 130408968 573533854 /nfs/dbraw/zinc/53/38/54/573533854.db2.gz WQIGVSWCGZNVDH-UHFFFAOYSA-N 0 0 196.193 1.611 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)C(C)(C)C)C=CO1 238429089 573533857 /nfs/dbraw/zinc/53/38/57/573533857.db2.gz WBDOHXYDQYTKRP-BDAKNGLRSA-N 0 0 197.278 1.840 10 0 ADAERN CC(=C1CC1)[C@H](C)CO 238429763 573533866 /nfs/dbraw/zinc/53/38/66/573533866.db2.gz HNWISYALFHYEBI-ZCFIWIBFSA-N 0 0 126.199 1.725 10 0 ADAERN C[C@]1(C(=O)[O-])CC[C@@H]2CCCC[N@@H+]21 257828191 573533867 /nfs/dbraw/zinc/53/38/67/573533867.db2.gz IHPWKFXTLGHGCB-WCBMZHEXSA-N 0 0 183.251 1.478 10 0 ADAERN O=C1CC[C@@H](C(=O)[C@@H]2CCCOC2)C1 86622534 573534129 /nfs/dbraw/zinc/53/41/29/573534129.db2.gz NYAXWYVTUSBSOR-RKDXNWHRSA-N 0 0 196.246 1.351 10 0 ADAERN Cc1ccc([C@@](C)(O)[C@H](C)O)cc1 238429329 573533905 /nfs/dbraw/zinc/53/39/05/573533905.db2.gz VMLNUAKEYBHLNQ-ONGXEEELSA-N 0 0 180.247 1.583 10 0 ADAERN CC(C)SCc1nsc(N)n1 83488392 573533912 /nfs/dbraw/zinc/53/39/12/573533912.db2.gz VEKOLCDZLRLJRS-UHFFFAOYSA-N 0 0 189.309 1.762 10 0 ADAERN CCNC(=O)N[C@H](C)Cc1ccoc1 585243638 573533933 /nfs/dbraw/zinc/53/39/33/573533933.db2.gz VCCNMZBKPJDFPS-MRVPVSSYSA-N 0 0 196.250 1.530 10 0 ADAERN CONCc1cc(C)c(F)cc1C=O 258053525 573533936 /nfs/dbraw/zinc/53/39/36/573533936.db2.gz KRPIPHPPUYIIJO-UHFFFAOYSA-N 0 0 197.209 1.598 10 0 ADAERN OC[C@H]1CCc2cccc(F)c2N1 107342014 573533943 /nfs/dbraw/zinc/53/39/43/573533943.db2.gz LFCBHHSDTCKSHZ-MRVPVSSYSA-N 0 0 181.210 1.545 10 0 ADAERN C[C@]1(O)CCNc2cccc(F)c21 257828165 573533954 /nfs/dbraw/zinc/53/39/54/573533954.db2.gz IFXDVOYVNKGYHF-JTQLQIEISA-N 0 0 181.210 1.849 10 0 ADAERN C[C@@H]1CC=CC(C)(C)[C@@H]1O 238429050 573533969 /nfs/dbraw/zinc/53/39/69/573533969.db2.gz QGRYBDZLOZVGIL-HTQZYQBOSA-N 0 0 140.226 1.970 10 0 ADAERN COc1cccc2c1C[C@@H](C(C)=O)O2 258054771 573533982 /nfs/dbraw/zinc/53/39/82/573533982.db2.gz FUYWNGSTGCNMCQ-NSHDSACASA-N 0 0 192.214 1.588 10 0 ADAERN CCCCC[C@@]1(O)CCOC1 83504213 573533987 /nfs/dbraw/zinc/53/39/87/573533987.db2.gz RCILJVMGNJFYRS-SECBINFHSA-N 0 0 158.241 1.718 10 0 ADAERN CCOC(=O)/C=C/COCC(F)F 130407937 573534139 /nfs/dbraw/zinc/53/41/39/573534139.db2.gz ZOJGXRKJFXAGTL-ONEGZZNKSA-N 0 0 194.177 1.387 10 0 ADAERN C[C@@H]1CCCCO[C@H](O)C1 224241934 573534000 /nfs/dbraw/zinc/53/40/00/573534000.db2.gz UOZJSKRIKPQUAY-SFYZADRCSA-N 0 0 144.214 1.532 10 0 ADAERN C/C(=C\c1ccco1)[C@H](O)[C@@H](C)O 238429885 573534001 /nfs/dbraw/zinc/53/40/01/573534001.db2.gz SYCQZBGORGOFHM-JNQSDMCQSA-N 0 0 182.219 1.425 10 0 ADAERN C[C@@](N)(F)C1=CCCC1 257828867 573534013 /nfs/dbraw/zinc/53/40/13/573534013.db2.gz IRZKDNXPMKJMPH-ZETCQYMHSA-N 0 0 129.178 1.741 10 0 ADAERN CC(C)Cc1c[nH]nc1CO 257828880 573534028 /nfs/dbraw/zinc/53/40/28/573534028.db2.gz ISWMJBIXBYMCAO-UHFFFAOYSA-N 0 0 154.213 1.101 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H]1/C=C\C(=O)[O-] 258054017 573534040 /nfs/dbraw/zinc/53/40/40/573534040.db2.gz DHMWDVWOQHSYOH-UDIARPCQSA-N 0 0 183.251 1.500 10 0 ADAERN CCOC(=O)[C@@H](F)OCC(F)F 130407707 573534054 /nfs/dbraw/zinc/53/40/54/573534054.db2.gz WWTLSKAVWAAMFR-YFKPBYRVSA-N 0 0 186.129 1.127 10 0 ADAERN CCNC(=O)N[C@@H](C)Cc1ccoc1 585243639 573534067 /nfs/dbraw/zinc/53/40/67/573534067.db2.gz VCCNMZBKPJDFPS-QMMMGPOBSA-N 0 0 196.250 1.530 10 0 ADAERN OC[C@H]1CCc2cc(F)ccc2N1 107342002 573534070 /nfs/dbraw/zinc/53/40/70/573534070.db2.gz SMXAXBUXBURDML-SECBINFHSA-N 0 0 181.210 1.545 10 0 ADAERN COc1ccc(F)c(F)c1CNO 258053518 573535288 /nfs/dbraw/zinc/53/52/88/573535288.db2.gz KRHGERIFVIPSMT-UHFFFAOYSA-N 0 0 189.161 1.452 10 0 ADAERN COc1ccc(C=O)c2n[nH]cc12 257828103 573535294 /nfs/dbraw/zinc/53/52/94/573535294.db2.gz ICHRRIFGIUDLDI-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN COCC[C@H](CSC)C(=O)OC 258054298 573534075 /nfs/dbraw/zinc/53/40/75/573534075.db2.gz HUHPIADVCWPGRK-SSDOTTSWSA-N 0 0 192.280 1.175 10 0 ADAERN FC1(F)CNCC[C@H]1C1CC1 257828844 573534087 /nfs/dbraw/zinc/53/40/87/573534087.db2.gz IPSBACVLYHOZQK-ZETCQYMHSA-N 0 0 161.195 1.641 10 0 ADAERN CC(C)(CO)c1c(O)cccc1O 258053610 573534091 /nfs/dbraw/zinc/53/40/91/573534091.db2.gz KTAZYUPBKDQBQF-UHFFFAOYSA-N 0 0 182.219 1.368 10 0 ADAERN COc1nc(C=O)nc2c1CSC2 257828425 573534101 /nfs/dbraw/zinc/53/41/01/573534101.db2.gz IHFULNYVMINNBY-UHFFFAOYSA-N 0 0 196.231 1.045 10 0 ADAERN CC[C@@H](C)SCC(N)=S 83497991 573534106 /nfs/dbraw/zinc/53/41/06/573534106.db2.gz TUTXHZBYACVYDA-RXMQYKEDSA-N 0 0 163.311 1.804 10 0 ADAERN C[C@](O)(CC1CCOCC1)C1CC1 83503459 573534169 /nfs/dbraw/zinc/53/41/69/573534169.db2.gz DHBLMZORUASKAQ-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN COC(=O)[C@H](OCC(F)F)C1CC1 130409627 573534171 /nfs/dbraw/zinc/53/41/71/573534171.db2.gz SXBJWWUSAKFJQI-SSDOTTSWSA-N 0 0 194.177 1.220 10 0 ADAERN Nc1cc([C@H]2CCCS2)c[nH]c1=O 258054634 573534189 /nfs/dbraw/zinc/53/41/89/573534189.db2.gz KHIDVAIOMZBENR-MRVPVSSYSA-N 0 0 196.275 1.938 10 0 ADAERN Cc1ccc2c(c1)CC[C@H](CO)N2 107336473 573534191 /nfs/dbraw/zinc/53/41/91/573534191.db2.gz DVMNCMGUHSBIRC-SNVBAGLBSA-N 0 0 177.247 1.714 10 0 ADAERN CC[C@@H](C)C(=O)[C@H]1CCC(=O)C1 86622525 573534232 /nfs/dbraw/zinc/53/42/32/573534232.db2.gz FMFLTORPMVXVNB-SFYZADRCSA-N 0 0 168.236 1.971 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1C[NH2+]C1CCCCC1 258755595 573534238 /nfs/dbraw/zinc/53/42/38/573534238.db2.gz XJSDEPGNEYXBAB-WPRPVWTQSA-N 0 0 197.278 1.629 10 0 ADAERN Clc1c[nH]c(Br)n1 107343440 573534241 /nfs/dbraw/zinc/53/42/41/573534241.db2.gz XPOBLHHOXREWDD-UHFFFAOYSA-N 0 0 181.420 1.826 10 0 ADAERN OCCCc1ccc2c(c1)CCN2 257828642 573534250 /nfs/dbraw/zinc/53/42/50/573534250.db2.gz INHYCMFUINSKFO-UHFFFAOYSA-N 0 0 177.247 1.580 10 0 ADAERN COc1cc(CNO)ccc1SC 258055572 573534252 /nfs/dbraw/zinc/53/42/52/573534252.db2.gz HCUMJLUNESKVKB-UHFFFAOYSA-N 0 0 199.275 1.896 10 0 ADAERN C[C@@H](CC1=CCC[N@H+](C)C1)C(=O)[O-] 258054808 573534260 /nfs/dbraw/zinc/53/42/60/573534260.db2.gz LKXPRSFMGILCLZ-QMMMGPOBSA-N 0 0 183.251 1.359 10 0 ADAERN COc1cncc(C(=O)C(C)C)c1 107338398 573534270 /nfs/dbraw/zinc/53/42/70/573534270.db2.gz NULWTVIZKDFJGD-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN CCCCC[C@H](CCOCC)NN 130414357 573534274 /nfs/dbraw/zinc/53/42/74/573534274.db2.gz NZUMGERPMVEELT-SNVBAGLBSA-N 0 0 188.315 1.825 10 0 ADAERN OC[C@H]1CCc2ccc(F)cc2N1 107342009 573534276 /nfs/dbraw/zinc/53/42/76/573534276.db2.gz RXLDKLYWSMGKEG-SECBINFHSA-N 0 0 181.210 1.545 10 0 ADAERN C[C@](N)(F)C1=CCCC1 257828866 573534288 /nfs/dbraw/zinc/53/42/88/573534288.db2.gz IRZKDNXPMKJMPH-SSDOTTSWSA-N 0 0 129.178 1.741 10 0 ADAERN Cc1ccc2c(c1)CC[C@@H](CO)N2 107336474 573534297 /nfs/dbraw/zinc/53/42/97/573534297.db2.gz DVMNCMGUHSBIRC-JTQLQIEISA-N 0 0 177.247 1.714 10 0 ADAERN C[C@]1(C(=O)[O-])CC[C@H]2CCCC[N@@H+]21 257828189 573534311 /nfs/dbraw/zinc/53/43/11/573534311.db2.gz IHPWKFXTLGHGCB-PSASIEDQSA-N 0 0 183.251 1.478 10 0 ADAERN CC[C@](C)(O)CC1CCOCC1 83503305 573534323 /nfs/dbraw/zinc/53/43/23/573534323.db2.gz FQHKCUUJMPDWKO-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN COCc1ccc(O)c(C(C)=O)c1 107339954 573534328 /nfs/dbraw/zinc/53/43/28/573534328.db2.gz JDDGBLSEECKOGK-UHFFFAOYSA-N 0 0 180.203 1.741 10 0 ADAERN CC(C)CC[C@]1(O)CCOC1 83504252 573535299 /nfs/dbraw/zinc/53/52/99/573535299.db2.gz RNHOHPVKNYTPDZ-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN Cc1nc(N)nc(CSC(C)C)n1 83489925 573534335 /nfs/dbraw/zinc/53/43/35/573534335.db2.gz MAFAJELPKICXQU-UHFFFAOYSA-N 0 0 198.295 1.404 10 0 ADAERN Cc1cc(CNO)cc(F)c1F 258054537 573534337 /nfs/dbraw/zinc/53/43/37/573534337.db2.gz RWHGLDLBTWQGQH-UHFFFAOYSA-N 0 0 173.162 1.752 10 0 ADAERN OCC1([C@@H](F)C(F)(F)F)CC1 257828126 573534340 /nfs/dbraw/zinc/53/43/40/573534340.db2.gz IDPHDMIFGHXJMF-SCSAIBSYSA-N 0 0 172.121 1.659 10 0 ADAERN CC(C)(C)SCc1noc(N)n1 83491043 573534350 /nfs/dbraw/zinc/53/43/50/573534350.db2.gz QWQKTZCIONKKAK-UHFFFAOYSA-N 0 0 187.268 1.684 10 0 ADAERN O=C1NC[C@H](c2ccc(O)cc2)O1 107338221 573534365 /nfs/dbraw/zinc/53/43/65/573534365.db2.gz XCYGRHCOQJOWMC-MRVPVSSYSA-N 0 0 179.175 1.173 10 0 ADAERN CN1CCCC[C@@H]1Oc1cnn(C)c1 258756863 573534400 /nfs/dbraw/zinc/53/44/00/573534400.db2.gz WQVWQYMFTXHDIP-JTQLQIEISA-N 0 0 195.266 1.241 10 0 ADAERN CC(C)[NH+]1CC([C@@H](F)CC(=O)[O-])C1 257828423 573534432 /nfs/dbraw/zinc/53/44/32/573534432.db2.gz IHBWXTVVMRZDFF-QMMMGPOBSA-N 0 0 189.230 1.139 10 0 ADAERN O=C1NC[C@@H](c2cccc(O)c2)O1 107338214 573534462 /nfs/dbraw/zinc/53/44/62/573534462.db2.gz PMHUUYVSAKMVFB-QMMMGPOBSA-N 0 0 179.175 1.173 10 0 ADAERN COc1cccc2c1C[C@@H](CCO)C2 257828911 573534472 /nfs/dbraw/zinc/53/44/72/573534472.db2.gz IMFWQBNBACELGT-VIFPVBQESA-N 0 0 192.258 1.792 10 0 ADAERN Nc1ccccc1[C@H]1CNC(=O)O1 107337044 573534477 /nfs/dbraw/zinc/53/44/77/573534477.db2.gz WBTYIGHFNMROHH-MRVPVSSYSA-N 0 0 178.191 1.050 10 0 ADAERN CSc1nc(N)ncc1C(F)F 257828912 573534537 /nfs/dbraw/zinc/53/45/37/573534537.db2.gz IMGGIRFOXSOXCK-UHFFFAOYSA-N 0 0 191.206 1.718 10 0 ADAERN O=C1CC[C@H](C(=O)[C@@H]2CCCOC2)C1 86622536 573534554 /nfs/dbraw/zinc/53/45/54/573534554.db2.gz NYAXWYVTUSBSOR-DTWKUNHWSA-N 0 0 196.246 1.351 10 0 ADAERN CCCc1ncc2n1CCC[C@H]2CO 258053043 573534556 /nfs/dbraw/zinc/53/45/56/573534556.db2.gz CXSWQHNDPDFOEC-VIFPVBQESA-N 0 0 194.278 1.705 10 0 ADAERN CN1c2ccc(F)cc2C[C@@H]1CCO 258052924 573534577 /nfs/dbraw/zinc/53/45/77/573534577.db2.gz LFHGKWOAIBVZJT-JTQLQIEISA-N 0 0 195.237 1.569 10 0 ADAERN O=C1NCCCN1c1cccc(O)c1 257828093 573534587 /nfs/dbraw/zinc/53/45/87/573534587.db2.gz IGMFLSVRXYYVTO-UHFFFAOYSA-N 0 0 192.218 1.312 10 0 ADAERN CC(C)c1cn2c(n1)CCC(=O)C2 107337603 573534595 /nfs/dbraw/zinc/53/45/95/573534595.db2.gz FUALLXBSQKNSLO-UHFFFAOYSA-N 0 0 178.235 1.522 10 0 ADAERN C[C@H]1Cc2cc(CON)ccc2N1C 258054669 573534597 /nfs/dbraw/zinc/53/45/97/573534597.db2.gz LICXAKUHMIQTHE-QMMMGPOBSA-N 0 0 192.262 1.458 10 0 ADAERN COc1cccc(F)c1CNO 258054538 573534624 /nfs/dbraw/zinc/53/46/24/573534624.db2.gz RWLGCGZIYJQOIG-UHFFFAOYSA-N 0 0 171.171 1.313 10 0 ADAERN O=Cc1cnn(C[C@H]2CCCS2)c1 715861843 573534641 /nfs/dbraw/zinc/53/46/41/573534641.db2.gz FNOYJAGWRYSLFO-SECBINFHSA-N 0 0 196.275 1.591 10 0 ADAERN CC(C)CSCC(N)=S 83491172 573534651 /nfs/dbraw/zinc/53/46/51/573534651.db2.gz QMCMNRUUIDINRO-UHFFFAOYSA-N 0 0 163.311 1.662 10 0 ADAERN Cc1ccc(-c2nc(CO)co2)o1 258055524 573534657 /nfs/dbraw/zinc/53/46/57/573534657.db2.gz LDDHQRXUZANFFR-UHFFFAOYSA-N 0 0 179.175 1.735 10 0 ADAERN CC(C)C(=O)Oc1cc(O)cc(O)c1 143771767 573534669 /nfs/dbraw/zinc/53/46/69/573534669.db2.gz MXTVGTRIMXFLSV-UHFFFAOYSA-N 0 0 196.202 1.659 10 0 ADAERN CCS[C@H]1CC[C@]([NH3+])(C(=O)[O-])C1 86629942 573534697 /nfs/dbraw/zinc/53/46/97/573534697.db2.gz UURHBOVWJIDGSH-POYBYMJQSA-N 0 0 189.280 1.074 10 0 ADAERN COc1cccc2c1C[C@H](C(C)=O)O2 258054768 573534706 /nfs/dbraw/zinc/53/47/06/573534706.db2.gz FUYWNGSTGCNMCQ-LLVKDONJSA-N 0 0 192.214 1.588 10 0 ADAERN CC(C)SCc1nccc(N)n1 83489691 573534734 /nfs/dbraw/zinc/53/47/34/573534734.db2.gz GTXNZBIEAVZPPW-UHFFFAOYSA-N 0 0 183.280 1.700 10 0 ADAERN CNCc1nc([C@H]2CCSC2)no1 258054105 573534735 /nfs/dbraw/zinc/53/47/35/573534735.db2.gz PGMCHXYOLPPQNF-LURJTMIESA-N 0 0 199.279 1.010 10 0 ADAERN OCC1([C@H](F)C(F)(F)F)CC1 257828125 573534737 /nfs/dbraw/zinc/53/47/37/573534737.db2.gz IDPHDMIFGHXJMF-BYPYZUCNSA-N 0 0 172.121 1.659 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H]1CCCC[NH2+]1 107347471 573534755 /nfs/dbraw/zinc/53/47/55/573534755.db2.gz MRYXXFKJOKIRBC-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1ccc([C@@H]2C[NH2+][C@@H](C(=O)[O-])C2)o1 258054000 573534762 /nfs/dbraw/zinc/53/47/62/573534762.db2.gz DHHMOMIBFXVIMC-JGVFFNPUSA-N 0 0 195.218 1.118 10 0 ADAERN C[C@@H]([NH3+])Cc1cccc(C(=O)[O-])c1F 238434115 573534763 /nfs/dbraw/zinc/53/47/63/573534763.db2.gz SCQOQPJIIVVMID-ZCFIWIBFSA-N 0 0 197.209 1.414 10 0 ADAERN CC(C)(F)[C@](C[NH3+])(C(=O)[O-])C1CC1 257828979 573534774 /nfs/dbraw/zinc/53/47/74/573534774.db2.gz IPDCWOWMYMVSDJ-VIFPVBQESA-N 0 0 189.230 1.174 10 0 ADAERN CC(=O)c1ccccc1C1(CO)CC1 257828477 573534782 /nfs/dbraw/zinc/53/47/82/573534782.db2.gz IIXPHBAZGNFFTH-UHFFFAOYSA-N 0 0 190.242 1.913 10 0 ADAERN CCCc1ncc2n1CCC[C@@H]2CO 258053039 573534784 /nfs/dbraw/zinc/53/47/84/573534784.db2.gz CXSWQHNDPDFOEC-SECBINFHSA-N 0 0 194.278 1.705 10 0 ADAERN CCCC[C@]1(O)CCOC1 83504210 573534800 /nfs/dbraw/zinc/53/48/00/573534800.db2.gz HPJUAVBTGPNTGU-QMMMGPOBSA-N 0 0 144.214 1.328 10 0 ADAERN COc1ccc(CC(C)(C)O)nc1 259492114 573534804 /nfs/dbraw/zinc/53/48/04/573534804.db2.gz XZBXYRSYFNVTAJ-UHFFFAOYSA-N 0 0 181.235 1.404 10 0 ADAERN C[NH2+]CCc1ccc(C)c(C(=O)[O-])c1 258053504 573534834 /nfs/dbraw/zinc/53/48/34/573534834.db2.gz KRCDONJCPSSNKS-UHFFFAOYSA-N 0 0 193.246 1.455 10 0 ADAERN Cc1nc(CCCO)nc(C)c1C 257828104 573534838 /nfs/dbraw/zinc/53/48/38/573534838.db2.gz ICJAAGGMDIXZRI-UHFFFAOYSA-N 0 0 180.251 1.327 10 0 ADAERN CC(C)(C)SCc1nccc(=O)[nH]1 83490068 573534858 /nfs/dbraw/zinc/53/48/58/573534858.db2.gz HABBCTDSNTYELK-UHFFFAOYSA-N 0 0 198.291 1.802 10 0 ADAERN CC(C)c1ccn2nc(N)nc2c1 257828626 573534862 /nfs/dbraw/zinc/53/48/62/573534862.db2.gz IMTBDVNEZXWGJY-UHFFFAOYSA-N 0 0 176.223 1.435 10 0 ADAERN CC(C)(CC(=O)[O-])[C@H]([NH3+])C1CCC1 259497457 573534864 /nfs/dbraw/zinc/53/48/64/573534864.db2.gz UEYSZGXJUZHZBL-SECBINFHSA-N 0 0 185.267 1.615 10 0 ADAERN O=C1Cc2c(cccc2C2(O)CC2)N1 258053615 573534869 /nfs/dbraw/zinc/53/48/69/573534869.db2.gz KTCZYLNJZRVXRO-UHFFFAOYSA-N 0 0 189.214 1.163 10 0 ADAERN CC(C)SCc1ncnc(N)n1 83489926 573534872 /nfs/dbraw/zinc/53/48/72/573534872.db2.gz KOICQUYIJSXWBK-UHFFFAOYSA-N 0 0 184.268 1.095 10 0 ADAERN COc1ccncc1C(=O)C(C)C 107338489 573534886 /nfs/dbraw/zinc/53/48/86/573534886.db2.gz CKNKEERUWHDYTI-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN CNc1nc(CSC(C)C)no1 83489736 573534893 /nfs/dbraw/zinc/53/48/93/573534893.db2.gz MURFCGLMFZDHEK-UHFFFAOYSA-N 0 0 187.268 1.753 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H](C(C)=O)CC[C@@H]1C 238434290 573534898 /nfs/dbraw/zinc/53/48/98/573534898.db2.gz XYCKRMDVYRBFRZ-BKDNQFJXSA-N 0 0 197.278 1.516 10 0 ADAERN OCC1(c2cccs2)COC1 258501956 573534923 /nfs/dbraw/zinc/53/49/23/573534923.db2.gz DMRSXXDKWRBPFR-UHFFFAOYSA-N 0 0 170.233 1.008 10 0 ADAERN NOCc1ccc2cnsc2c1 258054385 573534924 /nfs/dbraw/zinc/53/49/24/573534924.db2.gz RSPUTHRSPJUWKJ-UHFFFAOYSA-N 0 0 180.232 1.687 10 0 ADAERN CC(=O)c1cc2c(cc1O)CCO2 107336832 573534932 /nfs/dbraw/zinc/53/49/32/573534932.db2.gz RPKPKKCBEJVWKB-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN C[C@@H]1C[C@@H](O)N(C)C(=S)S1 238430861 573534950 /nfs/dbraw/zinc/53/49/50/573534950.db2.gz UGGAMHHTGRCJEV-RFZPGFLSSA-N 0 0 177.294 1.047 10 0 ADAERN CC(C)SC[C@H](O)C1CC1 83488731 573534963 /nfs/dbraw/zinc/53/49/63/573534963.db2.gz DVMQHCGLQMFWRK-QMMMGPOBSA-N 0 0 160.282 1.899 10 0 ADAERN CC(=O)[C@@H](C)[C@@H]1CC[C@@H]1F 238431327 573534970 /nfs/dbraw/zinc/53/49/70/573534970.db2.gz PAHLKVBZYMLILO-DTLFHODZSA-N 0 0 144.189 1.960 10 0 ADAERN C[NH2+]Cc1ccc(C)c(C(=O)[O-])c1 258053328 573535021 /nfs/dbraw/zinc/53/50/21/573535021.db2.gz FTKVHJHCAGVXKE-UHFFFAOYSA-N 0 0 179.219 1.413 10 0 ADAERN O[C@]1(CCc2ccsc2)CCOC1 83504233 573535026 /nfs/dbraw/zinc/53/50/26/573535026.db2.gz IHGLBEIAGMMNPX-SNVBAGLBSA-N 0 0 198.287 1.832 10 0 ADAERN O=C1NC[C@H](c2cccc(O)c2)O1 107338216 573535326 /nfs/dbraw/zinc/53/53/26/573535326.db2.gz PMHUUYVSAKMVFB-MRVPVSSYSA-N 0 0 179.175 1.173 10 0 ADAERN Cc1ccc([C@H]2C[NH2+][C@H](C(=O)[O-])C2)o1 258054003 573535327 /nfs/dbraw/zinc/53/53/27/573535327.db2.gz DHHMOMIBFXVIMC-SFYZADRCSA-N 0 0 195.218 1.118 10 0 ADAERN Cc1ccc2c(c1)C(CO)=CCO2 143767751 573535034 /nfs/dbraw/zinc/53/50/34/573535034.db2.gz CYOOQILHUVCRGW-UHFFFAOYSA-N 0 0 176.215 1.763 10 0 ADAERN C[C@H](CO)c1cccc(F)c1N(C)C 259494740 573535037 /nfs/dbraw/zinc/53/50/37/573535037.db2.gz QHGIBSKOADBZOK-MRVPVSSYSA-N 0 0 197.253 1.988 10 0 ADAERN CC[C@@](C)(O)CC1CCOCC1 83503306 573535050 /nfs/dbraw/zinc/53/50/50/573535050.db2.gz FQHKCUUJMPDWKO-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CCCC1(CCC(=O)OC)COC1 258758537 573535053 /nfs/dbraw/zinc/53/50/53/573535053.db2.gz RZUYWIYBEQRQNT-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CC(C)[NH+]1CC([C@H](F)CC(=O)[O-])C1 257828422 573535056 /nfs/dbraw/zinc/53/50/56/573535056.db2.gz IHBWXTVVMRZDFF-MRVPVSSYSA-N 0 0 189.230 1.139 10 0 ADAERN O=C1C=NN(c2ccc(Cl)o2)C1 258052893 573535062 /nfs/dbraw/zinc/53/50/62/573535062.db2.gz UNUNOYYAYMWHDW-UHFFFAOYSA-N 0 0 184.582 1.824 10 0 ADAERN CC(C)N1C[C@H](C2CCC2)NC1=O 259494081 573535065 /nfs/dbraw/zinc/53/50/65/573535065.db2.gz PRJRFGGFUFQTOH-SECBINFHSA-N 0 0 182.267 1.589 10 0 ADAERN OCc1cnc(Cc2cccs2)o1 258053689 573535075 /nfs/dbraw/zinc/53/50/75/573535075.db2.gz LBJKOYOXWOJULF-UHFFFAOYSA-N 0 0 195.243 1.819 10 0 ADAERN O=C([O-])C1([C@@H]2CCCC[NH2+]2)CCC1 107345694 573535080 /nfs/dbraw/zinc/53/50/80/573535080.db2.gz SULYKGMDNZJZLM-QMMMGPOBSA-N 0 0 183.251 1.383 10 0 ADAERN c1nocc1O[C@@H]1CCCCO1 258755698 573535084 /nfs/dbraw/zinc/53/50/84/573535084.db2.gz WOAZOUSJSMRRMW-MRVPVSSYSA-N 0 0 169.180 1.580 10 0 ADAERN C[C@H]1C(=O)COC12CCCCC2 238434041 573535090 /nfs/dbraw/zinc/53/50/90/573535090.db2.gz QQNVXQJSMUSORE-QMMMGPOBSA-N 0 0 168.236 1.925 10 0 ADAERN CC(C)=C[C@@H](C)[C@H]1COC(=O)N1 238433955 573535131 /nfs/dbraw/zinc/53/51/31/573535131.db2.gz NGRMMKHDOAPTDO-HTQZYQBOSA-N 0 0 169.224 1.697 10 0 ADAERN C[C@@H]1CC[C@@](O)(C(F)F)CO1 401958472 573535132 /nfs/dbraw/zinc/53/51/32/573535132.db2.gz SAFBYDKCOCOXKW-VDTYLAMSSA-N 0 0 166.167 1.182 10 0 ADAERN CCS[C@@H]1CC[C@@]([NH3+])(C(=O)[O-])C1 86629945 573535179 /nfs/dbraw/zinc/53/51/79/573535179.db2.gz UURHBOVWJIDGSH-SVRRBLITSA-N 0 0 189.280 1.074 10 0 ADAERN CSc1cnc([C@@H](C)O)s1 238434160 573535191 /nfs/dbraw/zinc/53/51/91/573535191.db2.gz LVVAGHKYNJGEGH-SCSAIBSYSA-N 0 0 175.278 1.918 10 0 ADAERN CC[C@@H]1SCC[C@@H]1C(=O)OC 259614202 573535338 /nfs/dbraw/zinc/53/53/38/573535338.db2.gz FGSGAYRRIBEWQQ-BQBZGAKWSA-N 0 0 174.265 1.691 10 0 ADAERN C[C@@H]1CCN[C@H](c2ccccc2)N1 238434297 573536070 /nfs/dbraw/zinc/53/60/70/573536070.db2.gz HHEGNOULRWVFSD-KOLCDFICSA-N 0 0 176.263 1.657 10 0 ADAERN CC(C)SCc1nccc(=O)[nH]1 83488398 573536079 /nfs/dbraw/zinc/53/60/79/573536079.db2.gz FLPRPUGIMVMJHA-UHFFFAOYSA-N 0 0 184.264 1.412 10 0 ADAERN CC(=O)C1=C(O)[C@@H](C)CC1 238434140 573536089 /nfs/dbraw/zinc/53/60/89/573536089.db2.gz RLSQJVRISZLEMR-CAHLUQPWSA-N 0 0 140.182 1.191 10 0 ADAERN C[C@H]1COc2ccc(C=O)cc2O1 257828618 573536091 /nfs/dbraw/zinc/53/60/91/573536091.db2.gz IMIIDLYDUFMTFO-ZETCQYMHSA-N 0 0 178.187 1.659 10 0 ADAERN CSc1c[nH]c(=O)c(C)c1 238434068 573535835 /nfs/dbraw/zinc/53/58/35/573535835.db2.gz RXCSJGZOZBSABE-UHFFFAOYSA-N 0 0 155.222 1.818 10 0 ADAERN Cn1nc(C=O)cc1C1CCOCC1 257828894 573535840 /nfs/dbraw/zinc/53/58/40/573535840.db2.gz ILDKVNBOYCBJRP-UHFFFAOYSA-N 0 0 194.234 1.127 10 0 ADAERN OC[C@@H]1CCc2cc(F)ccc2N1 107342004 573535841 /nfs/dbraw/zinc/53/58/41/573535841.db2.gz SMXAXBUXBURDML-VIFPVBQESA-N 0 0 181.210 1.545 10 0 ADAERN CCCn1c(CC)ccc(N)c1=O 257828585 573535847 /nfs/dbraw/zinc/53/58/47/573535847.db2.gz IKWTTWMEYKIGOP-UHFFFAOYSA-N 0 0 180.251 1.403 10 0 ADAERN [NH3+]Cc1cc(C(=O)[O-])cc(F)c1F 257828174 573535853 /nfs/dbraw/zinc/53/58/53/573535853.db2.gz IGBMXUILGJDJSF-UHFFFAOYSA-N 0 0 187.145 1.122 10 0 ADAERN C[C@H]([NH3+])Cc1ccc(C(=O)[O-])cc1F 238431410 573535859 /nfs/dbraw/zinc/53/58/59/573535859.db2.gz QUBRHSKHOWCARB-LURJTMIESA-N 0 0 197.209 1.414 10 0 ADAERN CC(=O)CC1(c2cccs2)COC1 258761520 573536106 /nfs/dbraw/zinc/53/61/06/573536106.db2.gz SLMCNPNQXAQYMZ-UHFFFAOYSA-N 0 0 196.271 1.995 10 0 ADAERN COC(=O)c1c(C)c(C)n(C)c1N 107344514 573535864 /nfs/dbraw/zinc/53/58/64/573535864.db2.gz JVMSCCVPSJZBRB-UHFFFAOYSA-N 0 0 182.223 1.011 10 0 ADAERN CC(C)N1C[C@@H](C2CCC2)NC1=O 259494083 573535868 /nfs/dbraw/zinc/53/58/68/573535868.db2.gz PRJRFGGFUFQTOH-VIFPVBQESA-N 0 0 182.267 1.589 10 0 ADAERN CCC[C@@H](C)CON 78580567 573535883 /nfs/dbraw/zinc/53/58/83/573535883.db2.gz ZXNATUYKDAXUPP-ZCFIWIBFSA-N 0 0 117.192 1.313 10 0 ADAERN [NH3+]Cc1cc2c(O)ccc(F)c2[nH]1 107339900 573535920 /nfs/dbraw/zinc/53/59/20/573535920.db2.gz FXAHWWBRNKLPPH-UHFFFAOYSA-N 0 0 180.182 1.471 10 0 ADAERN Cc1ccc2c(c1O)O[C@H](O)C[C@H]2C 238431275 573535895 /nfs/dbraw/zinc/53/58/95/573535895.db2.gz ZNOJOBNXXXTJPW-APPZFPTMSA-N 0 0 194.230 1.905 10 0 ADAERN Nc1ncnc2oc(C(F)F)cc12 257828141 573535899 /nfs/dbraw/zinc/53/58/99/573535899.db2.gz IETYMMQNFJAFPI-UHFFFAOYSA-N 0 0 185.133 1.743 10 0 ADAERN Cc1ccc([C@H]2C[NH2+][C@@H](C(=O)[O-])C2)o1 258053996 573535900 /nfs/dbraw/zinc/53/59/00/573535900.db2.gz DHHMOMIBFXVIMC-HTQZYQBOSA-N 0 0 195.218 1.118 10 0 ADAERN C/C=C/[C@H](OCOC)[C@@H](C)CO 220549840 573535910 /nfs/dbraw/zinc/53/59/10/573535910.db2.gz LMKMOMARJUAGPN-HXQNXIEXSA-N 0 0 174.240 1.180 10 0 ADAERN C[C@@H]1C[C@@H](O)ON1C(C)(C)C 238431150 573535915 /nfs/dbraw/zinc/53/59/15/573535915.db2.gz FPGKBIOWWJGOBI-RQJHMYQMSA-N 0 0 159.229 1.129 10 0 ADAERN C[C@@H]1Oc2c(cccc2N(C)C)[C@@H]1O 238430794 573535951 /nfs/dbraw/zinc/53/59/51/573535951.db2.gz UFZUCSMBEXAZTI-OIBJUYFYSA-N 0 0 193.246 1.567 10 0 ADAERN CCCC[C@@]1(O)CCOC1 83504211 573535953 /nfs/dbraw/zinc/53/59/53/573535953.db2.gz HPJUAVBTGPNTGU-MRVPVSSYSA-N 0 0 144.214 1.328 10 0 ADAERN CC[C@H](C)SCC(N)=S 83497992 573535964 /nfs/dbraw/zinc/53/59/64/573535964.db2.gz TUTXHZBYACVYDA-YFKPBYRVSA-N 0 0 163.311 1.804 10 0 ADAERN CC(C)(C)CC[C@@]1(O)CCOC1 83504219 573535970 /nfs/dbraw/zinc/53/59/70/573535970.db2.gz RRXRETFRMAAHDW-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H]1CC[C@](O)(C(F)F)CO1 401958469 573536013 /nfs/dbraw/zinc/53/60/13/573536013.db2.gz SAFBYDKCOCOXKW-CAHLUQPWSA-N 0 0 166.167 1.182 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 83502325 573536022 /nfs/dbraw/zinc/53/60/22/573536022.db2.gz ZKLOWZYRIPLSEG-BQBZGAKWSA-N 0 0 171.240 1.920 10 0 ADAERN C[C@H](CO)CCC1=CCCO1 238430714 573536040 /nfs/dbraw/zinc/53/60/40/573536040.db2.gz IWRRGFKMHJJWPW-QMMMGPOBSA-N 0 0 156.225 1.699 10 0 ADAERN Cc1c(CCO)ccc2c1OCCO2 258053731 573536042 /nfs/dbraw/zinc/53/60/42/573536042.db2.gz KVPDIODWLOKSMU-UHFFFAOYSA-N 0 0 194.230 1.301 10 0 ADAERN CCC[C@H](C)CON 78580572 573536047 /nfs/dbraw/zinc/53/60/47/573536047.db2.gz ZXNATUYKDAXUPP-LURJTMIESA-N 0 0 117.192 1.313 10 0 ADAERN Cn1ccc(CC2(CO)CCCC2)n1 124596549 573536048 /nfs/dbraw/zinc/53/60/48/573536048.db2.gz KAYFFPACEMGYJS-UHFFFAOYSA-N 0 0 194.278 1.515 10 0 ADAERN CCc1nn2cc(Cl)cnc2c1N 258054562 573536062 /nfs/dbraw/zinc/53/60/62/573536062.db2.gz KEFFCUZEFWNHPL-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN Cn1cc(NC[C@@H]2CCCS2)nn1 715867505 573536065 /nfs/dbraw/zinc/53/60/65/573536065.db2.gz OBWKMLQWCFQGFT-ZETCQYMHSA-N 0 0 198.295 1.123 10 0 ADAERN [NH3+]CCc1cc(F)c(Cl)cc1O 107350572 573540455 /nfs/dbraw/zinc/54/04/55/573540455.db2.gz KGAGEXNRUQSZGB-UHFFFAOYSA-N 0 0 189.617 1.686 10 0 ADAERN O[C@H](c1cc[nH]c1)C(F)(F)C(F)F 86639098 573540456 /nfs/dbraw/zinc/54/04/56/573540456.db2.gz MWSRTHDIBMFJHS-RXMQYKEDSA-N 0 0 197.131 1.949 10 0 ADAERN Cc1cccc(-n2cncc2C=O)c1 107347847 573539583 /nfs/dbraw/zinc/53/95/83/573539583.db2.gz OWYSBHABRJNYGE-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN Cc1nc2cccc(CON)c2o1 258056443 573538856 /nfs/dbraw/zinc/53/88/56/573538856.db2.gz SBOPTHDNADFXMB-UHFFFAOYSA-N 0 0 178.191 1.527 10 0 ADAERN COc1cccc2c1N[C@@H](CO)CC2 107356655 573539910 /nfs/dbraw/zinc/53/99/10/573539910.db2.gz CIUQRPJONGDKLG-SECBINFHSA-N 0 0 193.246 1.414 10 0 ADAERN CC1=CC[C@@](O)([C@H](C)CCO)CC1 238435473 573539915 /nfs/dbraw/zinc/53/99/15/573539915.db2.gz RJPQOCLAAGMQPC-MNOVXSKESA-N 0 0 184.279 1.866 10 0 ADAERN CC(C)n1oc(=O)c2cc(O)ccc21 257829233 573539925 /nfs/dbraw/zinc/53/99/25/573539925.db2.gz IQPOUMAKCBELST-UHFFFAOYSA-N 0 0 193.202 1.881 10 0 ADAERN CN1C[C@H](c2ccc(O)cc2)OC1=O 107356310 573539815 /nfs/dbraw/zinc/53/98/15/573539815.db2.gz KPIVZZRPPPBCDM-SECBINFHSA-N 0 0 193.202 1.515 10 0 ADAERN Clc1ccc2c(c1)NNC2 258056510 573538324 /nfs/dbraw/zinc/53/83/24/573538324.db2.gz SCCCJOMDOBBWJZ-UHFFFAOYSA-N 0 0 154.600 1.770 10 0 ADAERN C[C@@H]1CC=C[C@H](O)[C@@H](C)C1=O 238431085 573538326 /nfs/dbraw/zinc/53/83/26/573538326.db2.gz ZNXJOXMNSZEVNY-PRJMDXOYSA-N 0 0 154.209 1.149 10 0 ADAERN OCC1(C2(c3ccco3)COC2)CC1 258761348 573538329 /nfs/dbraw/zinc/53/83/29/573538329.db2.gz SEAYLJUSIUNPFA-UHFFFAOYSA-N 0 0 194.230 1.320 10 0 ADAERN Cn1ccc(CC2(CO)CCC2)n1 124595823 573538335 /nfs/dbraw/zinc/53/83/35/573538335.db2.gz HWFPSXHYKQSJGR-UHFFFAOYSA-N 0 0 180.251 1.125 10 0 ADAERN O[C@@H](c1ccc[nH]1)C(F)(F)C(F)F 86639092 573538359 /nfs/dbraw/zinc/53/83/59/573538359.db2.gz MGVWDQORTPTDLZ-YFKPBYRVSA-N 0 0 197.131 1.949 10 0 ADAERN C[C@H](O)[C@]12CCC[C@H]1C2 238430843 573538421 /nfs/dbraw/zinc/53/84/21/573538421.db2.gz PTXDKVYWUWTVCE-BIIVOSGPSA-N 0 0 126.199 1.557 10 0 ADAERN C[C@H]1CC[C@@]2(O)CCC(=O)[C@@H]12 238431009 573538426 /nfs/dbraw/zinc/53/84/26/573538426.db2.gz OLMZSKNAGJZARS-NBEYISGCSA-N 0 0 154.209 1.127 10 0 ADAERN CN(C)c1cc(F)c(F)cc1CO 259494913 573538431 /nfs/dbraw/zinc/53/84/31/573538431.db2.gz QKAOSOJIRUJERY-UHFFFAOYSA-N 0 0 187.189 1.523 10 0 ADAERN C[C@H]1C(=O)COC1(C)C 238434012 573538438 /nfs/dbraw/zinc/53/84/38/573538438.db2.gz IMGKHNBWOXQHCK-YFKPBYRVSA-N 0 0 128.171 1.000 10 0 ADAERN CC(=O)CC[C@@H]1OCC[C@H]1C 238433770 573538453 /nfs/dbraw/zinc/53/84/53/573538453.db2.gz PECURIUBPZLSTH-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@H](CO)NC(=S)c1ccccc1 238434013 573538501 /nfs/dbraw/zinc/53/85/01/573538501.db2.gz GZYOHNSOOCILPU-MRVPVSSYSA-N 0 0 195.287 1.333 10 0 ADAERN C[NH+](C)C[C@@H](C(=O)[O-])c1ccco1 258056770 573538515 /nfs/dbraw/zinc/53/85/15/573538515.db2.gz HXGKTFIDYGCWHC-SSDOTTSWSA-N 0 0 183.207 1.009 10 0 ADAERN C[C@@H]1CCC(=O)N2C[C@@H](CO)CC[C@@H]12 238434055 573538541 /nfs/dbraw/zinc/53/85/41/573538541.db2.gz MKNRVJLMLLJLBT-UTLUCORTSA-N 0 0 197.278 1.016 10 0 ADAERN COCc1ccc2c(c1)OCCCO2 259497405 573538557 /nfs/dbraw/zinc/53/85/57/573538557.db2.gz UEGOAHADNBXKIU-UHFFFAOYSA-N 0 0 194.230 1.994 10 0 ADAERN C/C=C\C[C@H](C)[C@@H]1OC(=O)N(C)[C@@H]1O 308615245 573538571 /nfs/dbraw/zinc/53/85/71/573538571.db2.gz ZUUQMLBOJWOXPS-LNNODCDTSA-N 0 0 199.250 1.358 10 0 ADAERN CC[C@@H](C)C[C@@]1(O)CCOC1 83504270 573538576 /nfs/dbraw/zinc/53/85/76/573538576.db2.gz GNVNEFBHPAYZHY-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN O[C@@H](CC1CCCC1)[C@H]1CCOC1 83505164 573538590 /nfs/dbraw/zinc/53/85/90/573538590.db2.gz YMJLEURBPZGFSY-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H]1C(=O)COC12CCCC2 238434029 573538616 /nfs/dbraw/zinc/53/86/16/573538616.db2.gz VUQUNNZQXOMAEZ-ZETCQYMHSA-N 0 0 154.209 1.535 10 0 ADAERN CC(C)CCN1C[C@@H](O)CCC1=O 259493328 573538644 /nfs/dbraw/zinc/53/86/44/573538644.db2.gz SJDLQBKEBFHJGA-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN COc1c(C(F)F)[nH]c(N)cc1=O 238434282 573538682 /nfs/dbraw/zinc/53/86/82/573538682.db2.gz GKXZSGYDFKEHAS-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN C[C@@H]1C[C@@H](O)C[C@@H](C(C)(C)C)O1 238430508 573538714 /nfs/dbraw/zinc/53/87/14/573538714.db2.gz SMVDFSOVJLDATA-HLTSFMKQSA-N 0 0 172.268 1.961 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@H](O)c1ccc[nH]1 124594607 573538719 /nfs/dbraw/zinc/53/87/19/573538719.db2.gz NRDVXHQGDGCVSH-SZEHBUNVSA-N 0 0 181.235 1.473 10 0 ADAERN O=C(CO)C[C@H]1[C@H]2CCC=CCC[C@H]21 308617333 573538724 /nfs/dbraw/zinc/53/87/24/573538724.db2.gz BIHCPUCSVCHUJB-ZSBIGDGJSA-N 0 0 194.274 1.930 10 0 ADAERN Cc1cccc(C[C@@H](C)[NH3+])c1C(=O)[O-] 238434206 573538726 /nfs/dbraw/zinc/53/87/26/573538726.db2.gz FEQVOXKHRNPKQZ-MRVPVSSYSA-N 0 0 193.246 1.583 10 0 ADAERN C[C@@H]1C[C@@H](O)C[C@@H]2CC(=O)C[C@H]12 238430654 573538733 /nfs/dbraw/zinc/53/87/33/573538733.db2.gz LMTGXYBMKWBEPO-FDDDBJFASA-N 0 0 168.236 1.373 10 0 ADAERN C[C@H]1C(=O)CC[C@]1(C)CCO 238433811 573538736 /nfs/dbraw/zinc/53/87/36/573538736.db2.gz HJXZUOMPDINXPY-IONNQARKSA-N 0 0 156.225 1.374 10 0 ADAERN C/C=C\C[C@H](C)[C@@H]1OC(=O)N(C)[C@H]1O 308615247 573538760 /nfs/dbraw/zinc/53/87/60/573538760.db2.gz ZUUQMLBOJWOXPS-ZEWQECDGSA-N 0 0 199.250 1.358 10 0 ADAERN C[C@@H]1CCC(=O)N[C@@H]1CC[C@@H]1CO1 238434240 573538774 /nfs/dbraw/zinc/53/87/74/573538774.db2.gz DXZVNEIQDGVISC-IWSPIJDZSA-N 0 0 183.251 1.080 10 0 ADAERN COc1ccc(N)c([C@H](O)C(C)C)c1 257829270 573538786 /nfs/dbraw/zinc/53/87/86/573538786.db2.gz IRUSXQSTFMTVRJ-LLVKDONJSA-N 0 0 195.262 1.967 10 0 ADAERN C[C@@H]1CC=C[C@@H](O)[C@@H](C)C1=O 238430511 573538790 /nfs/dbraw/zinc/53/87/90/573538790.db2.gz ZNXJOXMNSZEVNY-BWZBUEFSSA-N 0 0 154.209 1.149 10 0 ADAERN COc1ccc2c(c1)CC[C@H](CO)N2 107356647 573538797 /nfs/dbraw/zinc/53/87/97/573538797.db2.gz FEPSJJUNTWUOJI-SECBINFHSA-N 0 0 193.246 1.414 10 0 ADAERN Cc1cccc([C@H](C)[NH3+])c1C(=O)[O-] 238430770 573538803 /nfs/dbraw/zinc/53/88/03/573538803.db2.gz DVKDVAZXZDQISN-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN CCC1=CN=C(Cl)S1(=O)=O 258502225 573538806 /nfs/dbraw/zinc/53/88/06/573538806.db2.gz KBMFTQXHGJQEPD-UHFFFAOYSA-N 0 0 179.628 1.261 10 0 ADAERN CC(=O)[C@@H](C)[C@@H]1CCCC1=O 238430473 573538814 /nfs/dbraw/zinc/53/88/14/573538814.db2.gz QYOWWVMXQWDZSZ-SVRRBLITSA-N 0 0 154.209 1.581 10 0 ADAERN COC(=O)[C@@]1(NCC2CC2)CC[C@H]1C 308616430 573538817 /nfs/dbraw/zinc/53/88/17/573538817.db2.gz RVSPSAXZZOWSDQ-LDYMZIIASA-N 0 0 197.278 1.328 10 0 ADAERN COc1cc(F)cc(C2(O)CC2)c1O 258056238 573538874 /nfs/dbraw/zinc/53/88/74/573538874.db2.gz LAUQINMIGCMFKX-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN CCC1(C2(CO)CC2)COC1 258761406 573538887 /nfs/dbraw/zinc/53/88/87/573538887.db2.gz SFRMNKGJNJFUKI-UHFFFAOYSA-N 0 0 156.225 1.186 10 0 ADAERN CSc1cnc(N)c(F)c1 238433920 573538901 /nfs/dbraw/zinc/53/89/01/573538901.db2.gz ISZVFICQDHYNHX-UHFFFAOYSA-N 0 0 158.201 1.525 10 0 ADAERN Cc1cc([C@H](O)N(C)C)ccc1F 259494150 573538920 /nfs/dbraw/zinc/53/89/20/573538920.db2.gz LJMFAJLPWXTHSK-JTQLQIEISA-N 0 0 183.226 1.687 10 0 ADAERN COC(=O)C(C)(C)c1cc(C)cn1C 259495574 573538932 /nfs/dbraw/zinc/53/89/32/573538932.db2.gz ADGRQDNYDGFAHQ-UHFFFAOYSA-N 0 0 195.262 1.784 10 0 ADAERN COc1c(O)cc(F)cc1O 238434151 573538948 /nfs/dbraw/zinc/53/89/48/573538948.db2.gz OZVXZZCTAFOZSM-UHFFFAOYSA-N 0 0 158.128 1.246 10 0 ADAERN NC1=NC(=O)N[C@@H]1c1ccccc1 86653622 573538959 /nfs/dbraw/zinc/53/89/59/573538959.db2.gz YLUTYLYPHUJDBM-SSDOTTSWSA-N 0 0 175.191 1.018 10 0 ADAERN O=C1NCC[C@H](c2cccc(O)c2)O1 107356295 573538960 /nfs/dbraw/zinc/53/89/60/573538960.db2.gz MDXSHMIMPZGBEC-SECBINFHSA-N 0 0 193.202 1.563 10 0 ADAERN COc1ccc2c(c1)CC[C@@H](CO)N2 107356649 573538981 /nfs/dbraw/zinc/53/89/81/573538981.db2.gz FEPSJJUNTWUOJI-VIFPVBQESA-N 0 0 193.246 1.414 10 0 ADAERN CCCn1c(CC)nc(C)c1C=O 238257192 573538989 /nfs/dbraw/zinc/53/89/89/573538989.db2.gz KTSYRAFVWBHKJK-UHFFFAOYSA-N 0 0 180.251 1.976 10 0 ADAERN C[C@@H]1C=C(CC(N)=O)C[C@@H](C)C1 238433946 573538993 /nfs/dbraw/zinc/53/89/93/573538993.db2.gz QZMFAQSRYPKABI-YUMQZZPRSA-N 0 0 167.252 1.854 10 0 ADAERN CN1C[C@@H](c2ccccc2N)OC1=O 107354874 573539022 /nfs/dbraw/zinc/53/90/22/573539022.db2.gz PIFJYYXRFAVYHK-VIFPVBQESA-N 0 0 192.218 1.392 10 0 ADAERN O=C1NCC[C@H](c2ccc(O)cc2)O1 107356300 573539035 /nfs/dbraw/zinc/53/90/35/573539035.db2.gz IVNFPSGNLBDWEG-SECBINFHSA-N 0 0 193.202 1.563 10 0 ADAERN CC(C)C(=O)[C@@H](O)c1ccccn1 258760552 573539046 /nfs/dbraw/zinc/53/90/46/573539046.db2.gz KPBJKONRWCGDDK-JTQLQIEISA-N 0 0 179.219 1.340 10 0 ADAERN COCc1ccc2c(c1)ncn2C 259494597 573539051 /nfs/dbraw/zinc/53/90/51/573539051.db2.gz UAPIGBUBKLHQTE-UHFFFAOYSA-N 0 0 176.219 1.720 10 0 ADAERN COCc1ccccc1CC1(O)CC1 258056456 573539056 /nfs/dbraw/zinc/53/90/56/573539056.db2.gz LCVBSHGCSPAYHL-UHFFFAOYSA-N 0 0 192.258 1.900 10 0 ADAERN CCNc1ccc(N(C)C(C)=O)cn1 259105131 573539061 /nfs/dbraw/zinc/53/90/61/573539061.db2.gz KKLFDESXAGFFEE-UHFFFAOYSA-N 0 0 193.250 1.496 10 0 ADAERN CCOC(=O)/C=C\[C@H](O)C1CCCC1 308616176 573539063 /nfs/dbraw/zinc/53/90/63/573539063.db2.gz AJJMAZDYAXWRTN-DMEOUFDRSA-N 0 0 198.262 1.657 10 0 ADAERN OCc1nc(-c2ccccc2F)co1 257824361 573539064 /nfs/dbraw/zinc/53/90/64/573539064.db2.gz GVIQOQPHGVIXFD-UHFFFAOYSA-N 0 0 193.177 1.973 10 0 ADAERN Cc1cc(C2(O)CC2)cc(O)c1C 258056390 573539099 /nfs/dbraw/zinc/53/90/99/573539099.db2.gz SBNDMXDHKAOXAD-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN CC(=O)C(F)(F)C[C@@H]1CCOC1 257829014 573539103 /nfs/dbraw/zinc/53/91/03/573539103.db2.gz IPOICUHEPPWRMO-ZETCQYMHSA-N 0 0 178.178 1.637 10 0 ADAERN Nc1ccccc1[C@H]1CCNC(=O)O1 107354852 573539240 /nfs/dbraw/zinc/53/92/40/573539240.db2.gz QZSVGSRYYHSTTD-SECBINFHSA-N 0 0 192.218 1.440 10 0 ADAERN CC(C)C(=O)c1ccc(N(C)C)nc1 107355285 573539250 /nfs/dbraw/zinc/53/92/50/573539250.db2.gz KTHAUXYOPNKROF-UHFFFAOYSA-N 0 0 192.262 1.986 10 0 ADAERN CO[C@@H]1COc2cc(O)ccc2C1 257829452 573540111 /nfs/dbraw/zinc/54/01/11/573540111.db2.gz IWKKDXYXEBUXCR-VIFPVBQESA-N 0 0 180.203 1.342 10 0 ADAERN O=Cc1cncn1-c1ccc(F)cc1 107350780 573539284 /nfs/dbraw/zinc/53/92/84/573539284.db2.gz CKMIHLBTWRWOQG-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN OCc1cc(C2(O)CC2)ccc1F 258056536 573539296 /nfs/dbraw/zinc/53/92/96/573539296.db2.gz LDBRBJXXJBYJPM-UHFFFAOYSA-N 0 0 182.194 1.299 10 0 ADAERN COc1ccc(C)c(CON)c1O 258056234 573539301 /nfs/dbraw/zinc/53/93/01/573539301.db2.gz LATLXKVYMMUEHF-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN Nc1ccccc1C1(CO)CCC1 257829488 573539302 /nfs/dbraw/zinc/53/93/02/573539302.db2.gz IXWXXMWMNVBCJK-UHFFFAOYSA-N 0 0 177.247 1.683 10 0 ADAERN CNc1nnc(-c2ccc(F)cc2)o1 107356115 573539305 /nfs/dbraw/zinc/53/93/05/573539305.db2.gz WGYIEZXRCNWJHG-UHFFFAOYSA-N 0 0 193.181 1.917 10 0 ADAERN COc1cc(CON)cc(C)c1O 258056228 573539306 /nfs/dbraw/zinc/53/93/06/573539306.db2.gz LATHPQIFMDSPCM-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN COC(=O)N1CCO[C@H]2CCCC[C@H]21 75358555 573539321 /nfs/dbraw/zinc/53/93/21/573539321.db2.gz DMDWBTVYPVXXFY-BDAKNGLRSA-N 0 0 199.250 1.396 10 0 ADAERN O=Cc1nccn1-c1cccc(F)c1 107350784 573539325 /nfs/dbraw/zinc/53/93/25/573539325.db2.gz TZTWEGGTCSQGAP-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN OCc1n[nH]cc1-c1cccc(O)c1 257829331 573539326 /nfs/dbraw/zinc/53/93/26/573539326.db2.gz IWDWPKVARUQPIL-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN Cc1nc(-n2ccc(N)n2)sc1C 83533205 573539358 /nfs/dbraw/zinc/53/93/58/573539358.db2.gz MJCYIRIWWBSVSE-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN O=Cc1cn(-c2ccc(F)cc2)cn1 107350770 573539390 /nfs/dbraw/zinc/53/93/90/573539390.db2.gz XUROIUPHORUYIC-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN O=C(c1ccc[nH]1)C1CCC(O)CC1 259105538 573539394 /nfs/dbraw/zinc/53/93/94/573539394.db2.gz HJXUNEQTSXEMCL-UHFFFAOYSA-N 0 0 193.246 1.749 10 0 ADAERN C[C@H](CCO)[C@@]1(O)CCCC1(C)C 238435490 573539418 /nfs/dbraw/zinc/53/94/18/573539418.db2.gz KFXSHXVEQNAUDQ-KOLCDFICSA-N 0 0 186.295 1.946 10 0 ADAERN C[C@H]1C(=O)C[C@H](CCO)C1(C)C 238434502 573539427 /nfs/dbraw/zinc/53/94/27/573539427.db2.gz QEHPLDCDBURQJK-YUMQZZPRSA-N 0 0 170.252 1.620 10 0 ADAERN CCCCOc1ncc(C=O)cn1 126449538 573539432 /nfs/dbraw/zinc/53/94/32/573539432.db2.gz MMHOCBVPAKGQNG-UHFFFAOYSA-N 0 0 180.207 1.468 10 0 ADAERN Nc1oncc1C1CCC1 257824254 573539457 /nfs/dbraw/zinc/53/94/57/573539457.db2.gz GCPBMEIUCGFANJ-UHFFFAOYSA-N 0 0 138.170 1.524 10 0 ADAERN Cc1nc2c(CON)cccc2[nH]1 258056712 573539510 /nfs/dbraw/zinc/53/95/10/573539510.db2.gz SDIBMSBCNPVNLM-UHFFFAOYSA-N 0 0 177.207 1.262 10 0 ADAERN COc1c(O)ccc(O)c1NC(C)=O 238435379 573539532 /nfs/dbraw/zinc/53/95/32/573539532.db2.gz LSRHQHFONRIYHF-UHFFFAOYSA-N 0 0 197.190 1.065 10 0 ADAERN Cc1ccc([C@@H](C)[C@H](O)CO)c(O)c1 238435017 573539543 /nfs/dbraw/zinc/53/95/43/573539543.db2.gz HCYLPTRSDPAVLT-LDYMZIIASA-N 0 0 196.246 1.157 10 0 ADAERN C[C@H](O)CC[C@@H]1OC1(C)C 238434937 573539569 /nfs/dbraw/zinc/53/95/69/573539569.db2.gz GXZPUBSSSITOLV-BQBZGAKWSA-N 0 0 144.214 1.325 10 0 ADAERN C[C@@H]1CCOC(c2ccccc2O)=N1 238434597 573539575 /nfs/dbraw/zinc/53/95/75/573539575.db2.gz BOWNPUOWWWCDLM-MRVPVSSYSA-N 0 0 191.230 1.948 10 0 ADAERN c1ccc2c(-n3cncn3)cncc2c1 308615418 573539588 /nfs/dbraw/zinc/53/95/88/573539588.db2.gz SHKWLNREALORKT-UHFFFAOYSA-N 0 0 196.213 1.816 10 0 ADAERN C[C@@]12CCCC[C@]1(O)CC(=O)C2 238434581 573539593 /nfs/dbraw/zinc/53/95/93/573539593.db2.gz CZMIGRIBILJSNE-UWVGGRQHSA-N 0 0 168.236 1.661 10 0 ADAERN C[C@@H]([NH3+])Cc1cccc(F)c1C(=O)[O-] 238434529 573539604 /nfs/dbraw/zinc/53/96/04/573539604.db2.gz QRUXIOCNKRHIOA-ZCFIWIBFSA-N 0 0 197.209 1.414 10 0 ADAERN CC(=O)c1ccn(C(C)C)c(=O)c1 257829374 573539612 /nfs/dbraw/zinc/53/96/12/573539612.db2.gz IUHMNBBICXYDQY-UHFFFAOYSA-N 0 0 179.219 1.632 10 0 ADAERN C[C@H](CCO)CP(C)(C)=O 238434339 573539641 /nfs/dbraw/zinc/53/96/41/573539641.db2.gz QZJWNWRBHJDXCF-SSDOTTSWSA-N 0 0 164.185 1.628 10 0 ADAERN CN(CC1CC1)c1ncc(C=O)cn1 126392199 573539656 /nfs/dbraw/zinc/53/96/56/573539656.db2.gz NHEOQLNCRNOVOM-UHFFFAOYSA-N 0 0 191.234 1.135 10 0 ADAERN CSc1n[nH]c(=S)[nH]c1=S 238434723 573539670 /nfs/dbraw/zinc/53/96/70/573539670.db2.gz WTSGDYXUVDUCPW-UHFFFAOYSA-N 0 0 191.306 1.919 10 0 ADAERN CCc1oc(CN)nc1C1CCC1 257829030 573539671 /nfs/dbraw/zinc/53/96/71/573539671.db2.gz IQANFAFJQQXVQT-UHFFFAOYSA-N 0 0 180.251 1.963 10 0 ADAERN COc1ccc2c(c1)N[C@@H](CO)CC2 107356651 573539679 /nfs/dbraw/zinc/53/96/79/573539679.db2.gz RKWYRSYHLXKGON-SECBINFHSA-N 0 0 193.246 1.414 10 0 ADAERN Cc1ccccc1-n1ccnc1C=O 107347851 573539696 /nfs/dbraw/zinc/53/96/96/573539696.db2.gz PCKPOUFSESRCAA-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN C[C@H](O)CC[C@H]1CC(=O)OC1(C)C 238435387 573539713 /nfs/dbraw/zinc/53/97/13/573539713.db2.gz IGUKPCURDMMIMC-YUMQZZPRSA-N 0 0 186.251 1.489 10 0 ADAERN S=c1occo1 6119183 573539728 /nfs/dbraw/zinc/53/97/28/573539728.db2.gz MMGCXSBBWCOBEX-UHFFFAOYSA-N 0 0 102.114 1.602 10 0 ADAERN CC(=O)Cc1cc2c[nH]nc2cc1F 107354228 573539730 /nfs/dbraw/zinc/53/97/30/573539730.db2.gz CDEFLKLFYZYKPI-UHFFFAOYSA-N 0 0 192.193 1.834 10 0 ADAERN NOCCc1ccc2cc[nH]c2c1 258056462 573539731 /nfs/dbraw/zinc/53/97/31/573539731.db2.gz SBUINZWWMSFNDX-UHFFFAOYSA-N 0 0 176.219 1.601 10 0 ADAERN Cc1cc2c(cc1[C@@H](F)CO)OCO2 257824244 573539745 /nfs/dbraw/zinc/53/97/45/573539745.db2.gz GBFQIHABJJYUMW-QMMMGPOBSA-N 0 0 198.193 1.727 10 0 ADAERN C[C@H](CCO)Cc1cncs1 238434500 573539760 /nfs/dbraw/zinc/53/97/60/573539760.db2.gz KLNMKHZBHCHTOY-SSDOTTSWSA-N 0 0 171.265 1.704 10 0 ADAERN CN1C[C@H](c2ccccc2N)OC1=O 107354871 573539768 /nfs/dbraw/zinc/53/97/68/573539768.db2.gz PIFJYYXRFAVYHK-SECBINFHSA-N 0 0 192.218 1.392 10 0 ADAERN CCOCC[C@H](CCC(C)C)NN 130310223 573539772 /nfs/dbraw/zinc/53/97/72/573539772.db2.gz JWWFNMKLSYTYAW-JTQLQIEISA-N 0 0 188.315 1.681 10 0 ADAERN COC1CCC(OC2CC(=O)C2)CC1 686246524 573539774 /nfs/dbraw/zinc/53/97/74/573539774.db2.gz QQXUPEICERRUDC-UHFFFAOYSA-N 0 0 198.262 1.692 10 0 ADAERN C[C@@H]1[C@@H](O)Oc2ccccc2[C@@H]1O 238435212 573539782 /nfs/dbraw/zinc/53/97/82/573539782.db2.gz DCRZEOOAYROPMJ-QUNWWBBNSA-N 0 0 180.203 1.067 10 0 ADAERN CC(=O)c1nc(C)c2c(F)cccn12 107354240 573539784 /nfs/dbraw/zinc/53/97/84/573539784.db2.gz GWYJGUWXHXAKOI-UHFFFAOYSA-N 0 0 192.193 1.984 10 0 ADAERN Cc1ccc2c([nH]c(=O)n2O)c1C 95573608 573539835 /nfs/dbraw/zinc/53/98/35/573539835.db2.gz CWDIWBOCJFCBIJ-UHFFFAOYSA-N 0 0 178.191 1.184 10 0 ADAERN O=Cc1cn(-c2cccc(F)c2)cn1 107350767 573539837 /nfs/dbraw/zinc/53/98/37/573539837.db2.gz SKVYDMYMHVEQFT-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN COc1cc(F)ccc1[C@@H](F)CO 257829363 573539851 /nfs/dbraw/zinc/53/98/51/573539851.db2.gz IXVKGRYVBCCRSZ-QMMMGPOBSA-N 0 0 188.173 1.837 10 0 ADAERN Cc1nc2c(cc1N)CSCC2 258056173 573539890 /nfs/dbraw/zinc/53/98/90/573539890.db2.gz RYZFUNSYZJZTNH-UHFFFAOYSA-N 0 0 180.276 1.762 10 0 ADAERN COC(=O)N1CCO[C@@H]2CCCC[C@@H]21 75358554 573539893 /nfs/dbraw/zinc/53/98/93/573539893.db2.gz DMDWBTVYPVXXFY-DTWKUNHWSA-N 0 0 199.250 1.396 10 0 ADAERN O=C1NCC[C@@H](c2ccccc2O)O1 107356289 573539896 /nfs/dbraw/zinc/53/98/96/573539896.db2.gz MOGDPBNYNPJYEP-VIFPVBQESA-N 0 0 193.202 1.563 10 0 ADAERN CSc1cnccc1C(N)=S 238434371 573540000 /nfs/dbraw/zinc/54/00/00/573540000.db2.gz LGXHSDVYKVJDNW-UHFFFAOYSA-N 0 0 184.289 1.438 10 0 ADAERN CN1C[C@@H](c2ccccc2O)OC1=O 107356306 573540003 /nfs/dbraw/zinc/54/00/03/573540003.db2.gz GIOCYDWKOSFWQM-VIFPVBQESA-N 0 0 193.202 1.515 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H]2CCC(=O)[C@H]12 238435002 573540023 /nfs/dbraw/zinc/54/00/23/573540023.db2.gz PIKGZUDNFKDYSQ-MATHAZKKSA-N 0 0 166.220 1.581 10 0 ADAERN C[C@@H]1CC[C@@H](C(C)(C)NC=O)[C@@H](O)C1 238435231 573540029 /nfs/dbraw/zinc/54/00/29/573540029.db2.gz DBTZCIIETZWOGF-BBBLOLIVSA-N 0 0 199.294 1.308 10 0 ADAERN COc1c(O)cc(O)c2c1OCC2=O 238434846 573540037 /nfs/dbraw/zinc/54/00/37/573540037.db2.gz GUGNNGNUQCOVIN-UHFFFAOYSA-N 0 0 196.158 1.558 10 0 ADAERN CC(=O)c1nc(C)c2cc(F)ccn12 107354247 573540041 /nfs/dbraw/zinc/54/00/41/573540041.db2.gz JXRGRPCPBKWUCZ-UHFFFAOYSA-N 0 0 192.193 1.984 10 0 ADAERN C/C=C\C[N@H+](CC(=O)[O-])C1CC1 215337689 573540774 /nfs/dbraw/zinc/54/07/74/573540774.db2.gz YJSFIMXCXRPHKB-IHWYPQMZSA-N 0 0 169.224 1.112 10 0 ADAERN Cc1ccc(N)c(=O)n1C1CCC1 257829435 573540057 /nfs/dbraw/zinc/54/00/57/573540057.db2.gz IWFPVAFSCCLHGR-UHFFFAOYSA-N 0 0 178.235 1.464 10 0 ADAERN Cn1nc(N)nc1-c1ccc(F)cc1 107354272 573540063 /nfs/dbraw/zinc/54/00/63/573540063.db2.gz XVYKDHWYPNQQEK-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN COC(=O)N1CCO[C@H]2CCCC[C@@H]21 75358553 573540127 /nfs/dbraw/zinc/54/01/27/573540127.db2.gz DMDWBTVYPVXXFY-IUCAKERBSA-N 0 0 199.250 1.396 10 0 ADAERN CC(=O)c1cc(C(F)(F)F)ncn1 107350719 573540128 /nfs/dbraw/zinc/54/01/28/573540128.db2.gz MHFQZILEBCCGLG-UHFFFAOYSA-N 0 0 190.124 1.698 10 0 ADAERN CC(=O)Cc1nc(CC2CCC2)no1 308615489 573540130 /nfs/dbraw/zinc/54/01/30/573540130.db2.gz ZXKGPCRCIOESAY-UHFFFAOYSA-N 0 0 194.234 1.544 10 0 ADAERN CC(=O)Cc1cc(F)cc(F)c1O 107347715 573540781 /nfs/dbraw/zinc/54/07/81/573540781.db2.gz GHDZMBWQJMFJSE-UHFFFAOYSA-N 0 0 186.157 1.802 10 0 ADAERN C[C@@H](F)[C@@](C[NH3+])(C(=O)[O-])C(C)(C)C 257829278 573540147 /nfs/dbraw/zinc/54/01/47/573540147.db2.gz IRZBGURPADOHTB-MUWHJKNJSA-N 0 0 191.246 1.420 10 0 ADAERN COCc1cc(C(=O)CN)ccc1F 258056523 573540148 /nfs/dbraw/zinc/54/01/48/573540148.db2.gz LCZWOOQZEBIHTN-UHFFFAOYSA-N 0 0 197.209 1.114 10 0 ADAERN CO/C(=C/CO)C(C)C 238435102 573540154 /nfs/dbraw/zinc/54/01/54/573540154.db2.gz BLQQQJJRIAYCRR-QPJJXVBHSA-N 0 0 130.187 1.165 10 0 ADAERN Cc1ccccc1-n1cnnc1C=O 107348289 573540191 /nfs/dbraw/zinc/54/01/91/573540191.db2.gz VYXGLIZKIPSWPN-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN CN1C[C@@H](c2ccc(O)cc2)OC1=O 107356312 573540195 /nfs/dbraw/zinc/54/01/95/573540195.db2.gz KPIVZZRPPPBCDM-VIFPVBQESA-N 0 0 193.202 1.515 10 0 ADAERN CN(Cc1cccnc1)C(=O)S 258767687 573540211 /nfs/dbraw/zinc/54/02/11/573540211.db2.gz WQJSNSXNNWVZSP-UHFFFAOYSA-N 0 0 182.248 1.563 10 0 ADAERN C[C@@H]1CCC(=O)[C@H](CCC(N)=O)C1 238435384 573540218 /nfs/dbraw/zinc/54/02/18/573540218.db2.gz KRFSHAOXBVQIHD-HTQZYQBOSA-N 0 0 183.251 1.257 10 0 ADAERN NC(=[NH2+])c1cc(F)c(Cl)cc1[O-] 107349348 573540224 /nfs/dbraw/zinc/54/02/24/573540224.db2.gz QUAQAFZNOWNAJT-UHFFFAOYSA-N 0 0 188.589 1.469 10 0 ADAERN Fc1n[nH]cc1Cl 257824222 573540225 /nfs/dbraw/zinc/54/02/25/573540225.db2.gz FZIUXGRRHYSHQH-UHFFFAOYSA-N 0 0 120.514 1.202 10 0 ADAERN C[C@@H]1CC[C@@H](C(C)(C)O)[C@@H](NC=O)C1 238435321 573540226 /nfs/dbraw/zinc/54/02/26/573540226.db2.gz KHTFSBWALGRIKX-BBBLOLIVSA-N 0 0 199.294 1.308 10 0 ADAERN CCC(=O)CCCn1ccncc1=O 308615443 573540228 /nfs/dbraw/zinc/54/02/28/573540228.db2.gz ZVFXFKVJRPDVIG-UHFFFAOYSA-N 0 0 194.234 1.003 10 0 ADAERN COC(=O)[C@]1(NCC2CC2)CC[C@H]1C 308616428 573540797 /nfs/dbraw/zinc/54/07/97/573540797.db2.gz RVSPSAXZZOWSDQ-KCJUWKMLSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@H]1C(=O)CC(=O)C(C)(C)[C@@H]1C 238435355 573540293 /nfs/dbraw/zinc/54/02/93/573540293.db2.gz WVRCLHRBZRYLLO-RNFRBKRXSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ccn(CC[C@H]2CCCO2)n1 83531422 573540299 /nfs/dbraw/zinc/54/02/99/573540299.db2.gz BOUIQJBRJZNRSI-SNVBAGLBSA-N 0 0 180.251 1.761 10 0 ADAERN CC(C)=C[C@@H]1C[C@H]1[C@@H](C)O 238435197 573540320 /nfs/dbraw/zinc/54/03/20/573540320.db2.gz VMQGFMRAWUHJNF-HLTSFMKQSA-N 0 0 140.226 1.970 10 0 ADAERN C=C/C=C(/OC)[C@@H](C)O 238435010 573540338 /nfs/dbraw/zinc/54/03/38/573540338.db2.gz RBPGPOCCUHSNIZ-LUFONEFESA-N 0 0 128.171 1.084 10 0 ADAERN CCC1(CC)CCC(C(=O)OC)=C1O 39112671 573540350 /nfs/dbraw/zinc/54/03/50/573540350.db2.gz LFYYLBZWXZFHQF-QMMMGPOBSA-N 0 0 198.262 1.945 10 0 ADAERN C[C@H](O)[C@@H](Cc1ccccc1)[C@@H](C)O 308617962 573540365 /nfs/dbraw/zinc/54/03/65/573540365.db2.gz BQMSYDOLMCDDRN-IAZYJMLFSA-N 0 0 194.274 1.607 10 0 ADAERN Nc1nsc(CC[C@H]2CCCO2)n1 83525750 573540367 /nfs/dbraw/zinc/54/03/67/573540367.db2.gz LOPGUAAGRIUYBV-ZCFIWIBFSA-N 0 0 199.279 1.232 10 0 ADAERN CC(C)C(=O)c1cnn2cccnc12 107349627 573540376 /nfs/dbraw/zinc/54/03/76/573540376.db2.gz BGIJJVHVSSPAJV-UHFFFAOYSA-N 0 0 189.218 1.568 10 0 ADAERN Cc1nc(SCCO)sc1C 83533044 573540377 /nfs/dbraw/zinc/54/03/77/573540377.db2.gz FKOWCBBMRDZMTQ-UHFFFAOYSA-N 0 0 189.305 1.844 10 0 ADAERN [NH3+]Cc1ccnn1-c1ccccc1F 107352716 573540382 /nfs/dbraw/zinc/54/03/82/573540382.db2.gz YPODSLAARIIQSI-UHFFFAOYSA-N 0 0 191.209 1.470 10 0 ADAERN CSc1nc(=O)[nH]c2sccc12 238435082 573540391 /nfs/dbraw/zinc/54/03/91/573540391.db2.gz VCOPXOZQPPSIBG-UHFFFAOYSA-N 0 0 198.272 1.707 10 0 ADAERN C[C@H]1C(=O)O[C@@H](c2ccoc2)C[C@@H]1O 238435151 573540402 /nfs/dbraw/zinc/54/04/02/573540402.db2.gz GCVDNDZYJDLTDQ-BWVDBABLSA-N 0 0 196.202 1.265 10 0 ADAERN CC(=O)C(F)(F)C[C@H]1CCOC1 257829013 573540423 /nfs/dbraw/zinc/54/04/23/573540423.db2.gz IPOICUHEPPWRMO-SSDOTTSWSA-N 0 0 178.178 1.637 10 0 ADAERN CCOC(=O)Cc1coc2c1CCC2 259499767 573540460 /nfs/dbraw/zinc/54/04/60/573540460.db2.gz AOAOUZLAGMPVLN-UHFFFAOYSA-N 0 0 194.230 1.874 10 0 ADAERN Cc1nc(N[C@@H](C)C(N)=O)sc1C 83532705 573540470 /nfs/dbraw/zinc/54/04/70/573540470.db2.gz COANJXIJNNVRFN-YFKPBYRVSA-N 0 0 199.279 1.046 10 0 ADAERN C[C@H]1Cc2cc3c(cc2N1)OCCO3 107352753 573540477 /nfs/dbraw/zinc/54/04/77/573540477.db2.gz ULNFYOSOCBPVSI-ZETCQYMHSA-N 0 0 191.230 1.814 10 0 ADAERN C[C@H](O)CCC[C@@H](C)[C@H](C)O 220682934 573540490 /nfs/dbraw/zinc/54/04/90/573540490.db2.gz KRFLHSRWAKWOIM-VGMNWLOBSA-N 0 0 160.257 1.554 10 0 ADAERN CO/C(=C/Cl)[C@@H]1COC(C)(C)O1 238435122 573540493 /nfs/dbraw/zinc/54/04/93/573540493.db2.gz SLKCSRMQYPLFMF-KNIZRNDPSA-N 0 0 192.642 1.865 10 0 ADAERN CC(C)=CCn1c(C(=O)[O-])c[nH+]c1C 83534510 573540495 /nfs/dbraw/zinc/54/04/95/573540495.db2.gz IRONFKWYFUGQON-UHFFFAOYSA-N 0 0 194.234 1.856 10 0 ADAERN CCOC(=O)[C@@H]([C@@H](C)O)C(C)(C)C 238259820 573540505 /nfs/dbraw/zinc/54/05/05/573540505.db2.gz ZTSYXZPWGKQEHQ-HTQZYQBOSA-N 0 0 188.267 1.593 10 0 ADAERN COC[C@@H]1COc2c(O)cccc2C1 257829210 573540554 /nfs/dbraw/zinc/54/05/54/573540554.db2.gz IPNYBABAMBBOHG-MRVPVSSYSA-N 0 0 194.230 1.590 10 0 ADAERN C[C@H](O)CC[C@@](C)(Cl)N=O 238435023 573540557 /nfs/dbraw/zinc/54/05/57/573540557.db2.gz KJAYSEKUFYZCQL-WDSKDSINSA-N 0 0 165.620 1.869 10 0 ADAERN [NH3+]Cc1ccnn1-c1ccc(F)cc1 107352708 573540565 /nfs/dbraw/zinc/54/05/65/573540565.db2.gz SIJITAVJRNAJFR-UHFFFAOYSA-N 0 0 191.209 1.470 10 0 ADAERN Cc1cccc2c1[C@H](O)[C@@H](C)C2=O 238435364 573540571 /nfs/dbraw/zinc/54/05/71/573540571.db2.gz YRGRLHROYLJBGG-WRWORJQWSA-N 0 0 176.215 1.861 10 0 ADAERN OCCc1cnc(-c2ccc[nH]2)s1 259105432 573540581 /nfs/dbraw/zinc/54/05/81/573540581.db2.gz QKPZQZQPOLZUHJ-UHFFFAOYSA-N 0 0 194.259 1.673 10 0 ADAERN Nc1nsc(CC[C@@H]2CCCO2)n1 83525751 573540584 /nfs/dbraw/zinc/54/05/84/573540584.db2.gz LOPGUAAGRIUYBV-LURJTMIESA-N 0 0 199.279 1.232 10 0 ADAERN CSC1=NC(=C(C)C)C(=O)N1 238434859 573540606 /nfs/dbraw/zinc/54/06/06/573540606.db2.gz VXJIDOZKRWVRNO-UHFFFAOYSA-N 0 0 170.237 1.129 10 0 ADAERN COc1ccc(N)c([C@@H](O)C(C)C)c1 257829271 573540615 /nfs/dbraw/zinc/54/06/15/573540615.db2.gz IRUSXQSTFMTVRJ-NSHDSACASA-N 0 0 195.262 1.967 10 0 ADAERN CNc1nnc(-c2ccccc2)n1C 107349222 573540621 /nfs/dbraw/zinc/54/06/21/573540621.db2.gz USDIUWNQTYVOLX-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN COC1=C(C(F)F)NC(=O)CC1=O 238434913 573540625 /nfs/dbraw/zinc/54/06/25/573540625.db2.gz FBRBGIRCFSHLRS-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN Cc1cc(C)c(O)c(CON)c1 258056534 573540626 /nfs/dbraw/zinc/54/06/26/573540626.db2.gz SCKDYGYFUCBMDZ-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN COC(=O)CCn1ccc2oncc21 259501190 573540628 /nfs/dbraw/zinc/54/06/28/573540628.db2.gz ATHHRIOKSGGHOJ-UHFFFAOYSA-N 0 0 194.190 1.192 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H](CCC(N)=O)C1 238434552 573540643 /nfs/dbraw/zinc/54/06/43/573540643.db2.gz KRFSHAOXBVQIHD-SFYZADRCSA-N 0 0 183.251 1.257 10 0 ADAERN C[NH2+]Cc1cc(Br)co1 107350691 573540647 /nfs/dbraw/zinc/54/06/47/573540647.db2.gz MLQGMXUZZSPJHQ-UHFFFAOYSA-N 0 0 190.040 1.762 10 0 ADAERN CC(=O)c1nc(N)c2c(n1)CSC2 257829260 573540648 /nfs/dbraw/zinc/54/06/48/573540648.db2.gz IROSICDHLHHYEF-UHFFFAOYSA-N 0 0 195.247 1.008 10 0 ADAERN C[NH+](C)C[C@H](C(=O)[O-])c1ccco1 258056772 573540665 /nfs/dbraw/zinc/54/06/65/573540665.db2.gz HXGKTFIDYGCWHC-ZETCQYMHSA-N 0 0 183.207 1.009 10 0 ADAERN CNc1nnc(-c2cccc(F)c2)o1 107356111 573540682 /nfs/dbraw/zinc/54/06/82/573540682.db2.gz HYBMMCSDXZBCNI-UHFFFAOYSA-N 0 0 193.181 1.917 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)CO)[C@@H]1C 238434739 573540691 /nfs/dbraw/zinc/54/06/91/573540691.db2.gz OVTNATCQYVJIBL-BWZBUEFSSA-N 0 0 156.225 1.230 10 0 ADAERN O=Cc1ccn2c(C3CC3)nnc2c1 107348276 573540697 /nfs/dbraw/zinc/54/06/97/573540697.db2.gz CQRNRLCRVQWVRU-UHFFFAOYSA-N 0 0 187.202 1.419 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@H](C)[C@H]2O 238435410 573540710 /nfs/dbraw/zinc/54/07/10/573540710.db2.gz BYQYZTCNQVADSP-GMSGAONNSA-N 0 0 176.215 1.861 10 0 ADAERN CC(=O)[C@]1(C)C(=O)CC[C@H]1C 238435118 573540720 /nfs/dbraw/zinc/54/07/20/573540720.db2.gz BDEOLTRMMPSUDX-HZGVNTEJSA-N 0 0 154.209 1.581 10 0 ADAERN ONCc1ccc2c(Cl)n[nH]c2c1 258056346 573540725 /nfs/dbraw/zinc/54/07/25/573540725.db2.gz LBWFGNNGRFRWDM-UHFFFAOYSA-N 0 0 197.625 1.695 10 0 ADAERN COc1c(O)ccc2c1CCOC2=O 238435457 573540734 /nfs/dbraw/zinc/54/07/34/573540734.db2.gz FPOFQJUBBGNZBM-UHFFFAOYSA-N 0 0 194.186 1.114 10 0 ADAERN Cc1[nH+]cc(C(=O)[O-])n1CC1CC1 83534437 573540750 /nfs/dbraw/zinc/54/07/50/573540750.db2.gz VUJDKGYTJRLYPO-UHFFFAOYSA-N 0 0 180.207 1.300 10 0 ADAERN O=Cc1nccn1-c1ccccc1F 107350782 573541465 /nfs/dbraw/zinc/54/14/65/573541465.db2.gz OOCSTMVHYGEBMG-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN CSc1[nH]c(=O)nc2ccsc12 238435036 573540803 /nfs/dbraw/zinc/54/08/03/573540803.db2.gz KJJCIMYZNRTLNR-UHFFFAOYSA-N 0 0 198.272 1.707 10 0 ADAERN CC(=O)c1ccnc(N2CCCC2)n1 107353056 573540807 /nfs/dbraw/zinc/54/08/07/573540807.db2.gz IPGXMCYXTYYWLK-UHFFFAOYSA-N 0 0 191.234 1.279 10 0 ADAERN Cc1ccnn1CC[C@H]1CCCO1 83531426 573540886 /nfs/dbraw/zinc/54/08/86/573540886.db2.gz HTVCZOUDSZPUDM-SNVBAGLBSA-N 0 0 180.251 1.761 10 0 ADAERN C1=CC2=C(C1)[C@H](Nc1ccccc1)NN2 308616742 573540829 /nfs/dbraw/zinc/54/08/29/573540829.db2.gz SBSGOVXMBGSWPX-GFCCVEGCSA-N 0 0 199.257 1.746 10 0 ADAERN CC(=O)c1cn(CC(F)(F)F)cn1 107353858 573540832 /nfs/dbraw/zinc/54/08/32/573540832.db2.gz QGXZFLPKBRIZTA-UHFFFAOYSA-N 0 0 192.140 1.648 10 0 ADAERN [NH3+]Cc1ccn(-c2ccccc2O)n1 107349504 573540851 /nfs/dbraw/zinc/54/08/51/573540851.db2.gz GVQOKUIUZMUIHE-UHFFFAOYSA-N 0 0 189.218 1.037 10 0 ADAERN C[C@@H](O)[C@@H]1C[C@@H]2CC[C@H]1C2 238435049 573540864 /nfs/dbraw/zinc/54/08/64/573540864.db2.gz BTAZDKRYLLXTRA-HXFLIBJXSA-N 0 0 140.226 1.803 10 0 ADAERN O=C1NCC[C@@H](c2cccc(O)c2)O1 107356293 573540865 /nfs/dbraw/zinc/54/08/65/573540865.db2.gz MDXSHMIMPZGBEC-VIFPVBQESA-N 0 0 193.202 1.563 10 0 ADAERN CCOC(=O)[C@H]1[C@@H](OC)C1(C)C 259501181 573540871 /nfs/dbraw/zinc/54/08/71/573540871.db2.gz ATASTBUJTIRHIC-RNFRBKRXSA-N 0 0 172.224 1.221 10 0 ADAERN CC(C)(O)Cc1ccc(CO)cc1 259499999 573540881 /nfs/dbraw/zinc/54/08/81/573540881.db2.gz QTWSFTYQKYZPKM-UHFFFAOYSA-N 0 0 180.247 1.492 10 0 ADAERN C[C@H](CCO)[C@@H]1CCC[C@@H]1O 238435385 573541469 /nfs/dbraw/zinc/54/14/69/573541469.db2.gz CTPNCYYENCXTJC-VGMNWLOBSA-N 0 0 158.241 1.166 10 0 ADAERN CC(C)c1cc(=O)n2c(n1)NCCC2 107356958 573540901 /nfs/dbraw/zinc/54/09/01/573540901.db2.gz SWNZASBNIQSGAM-UHFFFAOYSA-N 0 0 193.250 1.182 10 0 ADAERN CCC(=O)NOCCCc1ccco1 75358618 573540908 /nfs/dbraw/zinc/54/09/08/573540908.db2.gz PNZBUYNJQCXCLG-UHFFFAOYSA-N 0 0 197.234 1.670 10 0 ADAERN CC(=O)N(c1ccc(N)cn1)C1CC1 259105108 573540931 /nfs/dbraw/zinc/54/09/31/573540931.db2.gz KKCNURYQWULTMJ-UHFFFAOYSA-N 0 0 191.234 1.179 10 0 ADAERN Cc1[nH+]cc(C(=O)[O-])n1CCC(C)C 83534425 573540994 /nfs/dbraw/zinc/54/09/94/573540994.db2.gz BIUIWOJFUVBNPH-UHFFFAOYSA-N 0 0 196.250 1.936 10 0 ADAERN Nc1cc2cccc3c(=O)c(=O)c(c1)c23 39112588 573541013 /nfs/dbraw/zinc/54/10/13/573541013.db2.gz WBGXHPOCCUHTPH-UHFFFAOYSA-N 0 0 197.193 1.171 10 0 ADAERN COc1nccnc1C(F)(F)F 238434909 573541024 /nfs/dbraw/zinc/54/10/24/573541024.db2.gz PKNJWLIHIFDBNP-UHFFFAOYSA-N 0 0 178.113 1.504 10 0 ADAERN NC(=[NH2+])Cc1ccc(F)c(F)c1[O-] 107347755 573541028 /nfs/dbraw/zinc/54/10/28/573541028.db2.gz JOYAXNHXLGMDBD-UHFFFAOYSA-N 0 0 186.161 1.149 10 0 ADAERN OCc1cnoc1CC1CCOCC1 258406433 573541086 /nfs/dbraw/zinc/54/10/86/573541086.db2.gz CTAFZWSPJRYRCW-UHFFFAOYSA-N 0 0 197.234 1.136 10 0 ADAERN CC(=O)c1cccnc1N1CCCC1 107351301 573541431 /nfs/dbraw/zinc/54/14/31/573541431.db2.gz ZUXLHWQIHKFHLM-UHFFFAOYSA-N 0 0 190.246 1.884 10 0 ADAERN COc1c(CO)cc(C)c(C)c1O 258056213 573541436 /nfs/dbraw/zinc/54/14/36/573541436.db2.gz LANCOSXAGYZWKA-UHFFFAOYSA-N 0 0 182.219 1.510 10 0 ADAERN CNc1ccc(C2COC2)cc1 259497462 573541114 /nfs/dbraw/zinc/54/11/14/573541114.db2.gz PYMPRUBCOSCAEM-UHFFFAOYSA-N 0 0 163.220 1.842 10 0 ADAERN CCn1[nH]c2cccc(C=O)c2c1=O 257824310 573541147 /nfs/dbraw/zinc/54/11/47/573541147.db2.gz GSEDNQYQKLLZHY-UHFFFAOYSA-N 0 0 190.202 1.162 10 0 ADAERN COc1cc(F)ccc1[C@H](F)CO 257829360 573541170 /nfs/dbraw/zinc/54/11/70/573541170.db2.gz IXVKGRYVBCCRSZ-MRVPVSSYSA-N 0 0 188.173 1.837 10 0 ADAERN CC(=O)C1=C(O)CC[C@H]1C 238434750 573541174 /nfs/dbraw/zinc/54/11/74/573541174.db2.gz AOLATHQQWTUGQK-XRGYYRRGSA-N 0 0 140.182 1.191 10 0 ADAERN O=Cc1cncn1-c1ccccc1F 107350773 573541192 /nfs/dbraw/zinc/54/11/92/573541192.db2.gz QTDAWESBDPWOLL-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN Cc1cc2c(cc1[C@H](F)CO)OCO2 257824243 573541211 /nfs/dbraw/zinc/54/12/11/573541211.db2.gz GBFQIHABJJYUMW-MRVPVSSYSA-N 0 0 198.193 1.727 10 0 ADAERN OC1(C[C@@H]2CCCO2)CC1 83525469 573541218 /nfs/dbraw/zinc/54/12/18/573541218.db2.gz IJWSGVHIDDZZJO-ZETCQYMHSA-N 0 0 142.198 1.080 10 0 ADAERN CC(=O)Cc1cc2ccccc2nn1 107347826 573541226 /nfs/dbraw/zinc/54/12/26/573541226.db2.gz WRYLEYWWEVKXMF-UHFFFAOYSA-N 0 0 186.214 1.761 10 0 ADAERN C=CO[C@]1(C(=O)OCC)CCCC1=O 39112677 573541244 /nfs/dbraw/zinc/54/12/44/573541244.db2.gz DNVRFNXSAGGBAI-SNVBAGLBSA-N 0 0 198.218 1.201 10 0 ADAERN COc1nnc2ccccc2c1C[NH3+] 107349715 573541262 /nfs/dbraw/zinc/54/12/62/573541262.db2.gz SJLHRXKSUKTJKN-UHFFFAOYSA-N 0 0 189.218 1.097 10 0 ADAERN COC(C)(C)COC[C@@]1(C)CO1 393640980 573541441 /nfs/dbraw/zinc/54/14/41/573541441.db2.gz VWKZSCJBLWKLGL-VIFPVBQESA-N 0 0 174.240 1.217 10 0 ADAERN C=CO[C@@]1(C(=O)OCC)CCCC1=O 39112676 573541298 /nfs/dbraw/zinc/54/12/98/573541298.db2.gz DNVRFNXSAGGBAI-JTQLQIEISA-N 0 0 198.218 1.201 10 0 ADAERN COc1c(O)cc(O)c2c1CCC2=O 238434773 573541328 /nfs/dbraw/zinc/54/13/28/573541328.db2.gz VQSGDEPVWWICLJ-UHFFFAOYSA-N 0 0 194.186 1.235 10 0 ADAERN Cc1[nH+]cc(C(=O)[O-])n1CC(F)F 83534483 573541335 /nfs/dbraw/zinc/54/13/35/573541335.db2.gz OLJRGXATMLJHHE-UHFFFAOYSA-N 0 0 190.149 1.155 10 0 ADAERN CC1(C)CN(O)CC1(C)C 95471430 573541414 /nfs/dbraw/zinc/54/14/14/573541414.db2.gz DFHZPPYERYHWPG-UHFFFAOYSA-N 0 0 143.230 1.744 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H]1CCCO 238434876 573541826 /nfs/dbraw/zinc/54/18/26/573541826.db2.gz CMYXANHEULMTEX-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CC(=O)Cc1c(O)ccc(F)c1F 107347704 573541827 /nfs/dbraw/zinc/54/18/27/573541827.db2.gz SPHNVFXAKPXTTK-UHFFFAOYSA-N 0 0 186.157 1.802 10 0 ADAERN Cc1ccccc1-n1cncc1C=O 107347845 573543347 /nfs/dbraw/zinc/54/33/47/573543347.db2.gz JZWOZSCJXPJKIC-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN CCC[C@@H]1CN(C(C)C)C(=O)N1C 259499361 573541840 /nfs/dbraw/zinc/54/18/40/573541840.db2.gz QBPLHOLQFINLCQ-SECBINFHSA-N 0 0 184.283 1.931 10 0 ADAERN Cn1cnc2cc(C(=O)[S-])ccc21 259105478 573541841 /nfs/dbraw/zinc/54/18/41/573541841.db2.gz HJIKHRAPJLMHCN-UHFFFAOYSA-N 0 0 192.243 1.643 10 0 ADAERN O[C@]1(CC[C@@H]2CCCO2)CCOC1 83528430 573541846 /nfs/dbraw/zinc/54/18/46/573541846.db2.gz DDWWMHUVUSETSK-VHSXEESVSA-N 0 0 186.251 1.097 10 0 ADAERN Cc1cccc2c1N1[C@H]([NH3+])CC[C@@H]1C2 257825270 573543260 /nfs/dbraw/zinc/54/32/60/573543260.db2.gz HCUSEHQEYGTDQU-MNOVXSKESA-N 0 0 188.274 1.805 10 0 ADAERN Cc1nc(-n2cccn2)sc1C 83533610 573543271 /nfs/dbraw/zinc/54/32/71/573543271.db2.gz BGMUPJMGMOEPNC-UHFFFAOYSA-N 0 0 179.248 1.946 10 0 ADAERN COc1c(O)cc([C@H](C)O)cc1F 258056324 573542814 /nfs/dbraw/zinc/54/28/14/573542814.db2.gz LBMIBTJDAWMAMM-YFKPBYRVSA-N 0 0 186.182 1.593 10 0 ADAERN CNc1nnc(-c2ccccc2F)o1 107356108 573542821 /nfs/dbraw/zinc/54/28/21/573542821.db2.gz ZIGWGDRRADJQBQ-UHFFFAOYSA-N 0 0 193.181 1.917 10 0 ADAERN C[C@@H]1O[C@H](C)[C@H](C2(O)CC2)[C@@H]1C 83525464 573543286 /nfs/dbraw/zinc/54/32/86/573543286.db2.gz CKJMLYJSKRUYCW-BZNPZCIMSA-N 0 0 170.252 1.571 10 0 ADAERN CN1C[C@H](c2ccccc2O)OC1=O 107356303 573542842 /nfs/dbraw/zinc/54/28/42/573542842.db2.gz GIOCYDWKOSFWQM-SECBINFHSA-N 0 0 193.202 1.515 10 0 ADAERN COC(=O)/C(=C/C1CCCCC1)CO 308616987 573542882 /nfs/dbraw/zinc/54/28/82/573542882.db2.gz ARKABXUTUQKOES-JXMROGBWSA-N 0 0 198.262 1.658 10 0 ADAERN CC(=O)Nc1ccc2[nH]c(=O)oc2c1 75365435 573542886 /nfs/dbraw/zinc/54/28/86/573542886.db2.gz JKGHITSJVCHFRN-UHFFFAOYSA-N 0 0 192.174 1.080 10 0 ADAERN C[C@H]1C(=O)c2ccc(F)cc2[C@@H]1O 238435396 573542909 /nfs/dbraw/zinc/54/29/09/573542909.db2.gz SMUBNKMFMSPDBO-XUOSJQGZSA-N 0 0 180.178 1.692 10 0 ADAERN CC(=O)c1cc2cnn(C)c2cc1F 107354224 573542923 /nfs/dbraw/zinc/54/29/23/573542923.db2.gz HJBPPAKKGMCLBO-UHFFFAOYSA-N 0 0 192.193 1.915 10 0 ADAERN Nc1ccc([C@@H]2CCNC(=O)O2)cc1 107354864 573543292 /nfs/dbraw/zinc/54/32/92/573543292.db2.gz MXYWXEZQNMVTIE-VIFPVBQESA-N 0 0 192.218 1.440 10 0 ADAERN C[C@H](CO)OC(=O)Nc1ccccc1 238434770 573542941 /nfs/dbraw/zinc/54/29/41/573542941.db2.gz VELRXDUOPHZONE-MRVPVSSYSA-N 0 0 195.218 1.616 10 0 ADAERN CCC[C@H](O)C(=O)[C@@H](F)CCC 238260561 573542942 /nfs/dbraw/zinc/54/29/42/573542942.db2.gz GSYHZZKDKRCWKT-YUMQZZPRSA-N 0 0 176.231 1.855 10 0 ADAERN CC(=O)Cc1cc(F)c(F)cc1O 107347707 573542945 /nfs/dbraw/zinc/54/29/45/573542945.db2.gz TYOGDEGJSUBLKS-UHFFFAOYSA-N 0 0 186.157 1.802 10 0 ADAERN C[C@H](O)CC[C@@H]1CC[C@H](C)O1 238434904 573542952 /nfs/dbraw/zinc/54/29/52/573542952.db2.gz CLUBJFBDEKELGS-XHNCKOQMSA-N 0 0 158.241 1.715 10 0 ADAERN C[C@H](O)CC[C@@H]1CC(=O)OC1(C)C 238434746 573542977 /nfs/dbraw/zinc/54/29/77/573542977.db2.gz IGUKPCURDMMIMC-JGVFFNPUSA-N 0 0 186.251 1.489 10 0 ADAERN Nc1c2c(nn1C1CCC1)COC2 257825002 573542980 /nfs/dbraw/zinc/54/29/80/573542980.db2.gz GWQQXXFAMMBTOJ-UHFFFAOYSA-N 0 0 179.223 1.221 10 0 ADAERN O[C@@]1(CC[C@H]2CCCO2)CCOC1 83528427 573543019 /nfs/dbraw/zinc/54/30/19/573543019.db2.gz DDWWMHUVUSETSK-ZJUUUORDSA-N 0 0 186.251 1.097 10 0 ADAERN C/C=C/C1(O)CCC2(CC1)OCCO2 220713214 573543033 /nfs/dbraw/zinc/54/30/33/573543033.db2.gz HFLQVJIOKITOHJ-NSCUHMNNSA-N 0 0 198.262 1.611 10 0 ADAERN Nc1c(O)cccc1C1CCOCC1 259500374 573543056 /nfs/dbraw/zinc/54/30/56/573543056.db2.gz QNRZENXLWFDQSV-UHFFFAOYSA-N 0 0 193.246 1.868 10 0 ADAERN Cc1nc(-n2cc(N)cn2)sc1C 83533203 573543061 /nfs/dbraw/zinc/54/30/61/573543061.db2.gz BXEBAAIIHOMYFJ-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN O=Cc1c[nH+]ccc1N1CCCCC1 107351333 573543081 /nfs/dbraw/zinc/54/30/81/573543081.db2.gz LURBHZCDDQDNFU-UHFFFAOYSA-N 0 0 190.246 1.884 10 0 ADAERN CC(=O)CC1O[C@@H](C)C[C@H](C)O1 238434584 573543097 /nfs/dbraw/zinc/54/30/97/573543097.db2.gz COQYQHJRVVEKCB-YUMQZZPRSA-N 0 0 172.224 1.506 10 0 ADAERN COc1ncc2c(c1Cl)CC[NH2+]C2 257825132 573543109 /nfs/dbraw/zinc/54/31/09/573543109.db2.gz FKBQMGOVBJYLPW-UHFFFAOYSA-N 0 0 198.653 1.389 10 0 ADAERN CC(=O)[C@@H](C)[C@H](O)C(F)(F)F 238434480 573543134 /nfs/dbraw/zinc/54/31/34/573543134.db2.gz BMGHATPLYPFVJU-WUJLRWPWSA-N 0 0 170.130 1.135 10 0 ADAERN C[C@@H]1CC[C@@H](C(C)(C)C(N)=O)C1 238434903 573543141 /nfs/dbraw/zinc/54/31/41/573543141.db2.gz KRVYLUCSVOUWSS-HTQZYQBOSA-N 0 0 169.268 1.934 10 0 ADAERN CC(C)Cc1cnn(C)c1[C@H](C)[NH3+] 257824987 573543142 /nfs/dbraw/zinc/54/31/42/573543142.db2.gz GMIDYTHFIHMGSN-QMMMGPOBSA-N 0 0 181.283 1.638 10 0 ADAERN Cc1nc(N[C@H](C)C(N)=O)sc1C 83532706 573543145 /nfs/dbraw/zinc/54/31/45/573543145.db2.gz COANJXIJNNVRFN-RXMQYKEDSA-N 0 0 199.279 1.046 10 0 ADAERN Cc1ccc(C(=O)[C@H]2CCCC[NH2+]2)o1 259105611 573543172 /nfs/dbraw/zinc/54/31/72/573543172.db2.gz HKVVDDTZZBBMGJ-SECBINFHSA-N 0 0 193.246 1.913 10 0 ADAERN CC[N@@H+]1CCC[C@@H](C(=O)[O-])C1(C)C 259501521 573543194 /nfs/dbraw/zinc/54/31/94/573543194.db2.gz SYGJHWDULYAXCJ-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN Nc1ccc([C@H]2CCNC(=O)O2)cc1 107354868 573543206 /nfs/dbraw/zinc/54/32/06/573543206.db2.gz MXYWXEZQNMVTIE-SECBINFHSA-N 0 0 192.218 1.440 10 0 ADAERN COc1c(O)ccc2c1COC2=O 238435474 573543207 /nfs/dbraw/zinc/54/32/07/573543207.db2.gz IKAWBEYHZVJQIH-UHFFFAOYSA-N 0 0 180.159 1.071 10 0 ADAERN [NH3+]CCc1c(O)ccc(F)c1Cl 107350581 573543211 /nfs/dbraw/zinc/54/32/11/573543211.db2.gz CRIQRWLDCNUDAB-UHFFFAOYSA-N 0 0 189.617 1.686 10 0 ADAERN O=C1Nc2cc(O)ccc2OC12CC2 258406212 573543215 /nfs/dbraw/zinc/54/32/15/573543215.db2.gz CPXBWUADJXVUTE-UHFFFAOYSA-N 0 0 191.186 1.256 10 0 ADAERN Nc1c(O)cccc1C[C@@H]1CCOC1 257824837 573543220 /nfs/dbraw/zinc/54/32/20/573543220.db2.gz GZZVXNBIYGYOBE-QMMMGPOBSA-N 0 0 193.246 1.553 10 0 ADAERN CCCn1c(C(=O)OC)cnc1C 83534387 573543223 /nfs/dbraw/zinc/54/32/23/573543223.db2.gz VJPUQIIXRIHMMN-UHFFFAOYSA-N 0 0 182.223 1.388 10 0 ADAERN C[C@H](O)CC[C@H]1CC(=O)C[C@@H]1C 238435375 573543230 /nfs/dbraw/zinc/54/32/30/573543230.db2.gz AJDNYTFIJCNKFU-CIUDSAMLSA-N 0 0 170.252 1.763 10 0 ADAERN COc1cccc([C@H]2CCON2)c1 257824442 573543309 /nfs/dbraw/zinc/54/33/09/573543309.db2.gz GUOKUHUXDNIRRQ-SNVBAGLBSA-N 0 0 179.219 1.661 10 0 ADAERN COc1c(C)cc(C=O)c(F)c1O 257824429 573543328 /nfs/dbraw/zinc/54/33/28/573543328.db2.gz GTVDVCPLBXZPAR-UHFFFAOYSA-N 0 0 184.166 1.661 10 0 ADAERN Cc1nc(-n2cncn2)sc1C 83533614 573543330 /nfs/dbraw/zinc/54/33/30/573543330.db2.gz QGQJVQHXKKLNRS-UHFFFAOYSA-N 0 0 180.236 1.341 10 0 ADAERN COC(=O)[C@@H](N)C[C@@H](C)CC(F)F 688725249 573543377 /nfs/dbraw/zinc/54/33/77/573543377.db2.gz FJVBOQNMGAUDLC-RITPCOANSA-N 0 0 195.209 1.168 10 0 ADAERN CNc1nc(-c2ccccc2)n(C)n1 107349228 573543388 /nfs/dbraw/zinc/54/33/88/573543388.db2.gz IRQGIKGVNWGFPY-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN CC(C)C[C@](C[NH3+])(C(=O)[O-])C(F)F 257829695 573543402 /nfs/dbraw/zinc/54/34/02/573543402.db2.gz ITNQLYLJUIIDQR-MRVPVSSYSA-N 0 0 195.209 1.327 10 0 ADAERN CC(C)(C)OC(=O)[C@H](O)c1ccco1 308626685 573543405 /nfs/dbraw/zinc/54/34/05/573543405.db2.gz NBSLLDGRWFGXSC-MRVPVSSYSA-N 0 0 198.218 1.655 10 0 ADAERN Cc1cc(O)c([C@H](C)O)c(C)c1O 238435079 573543420 /nfs/dbraw/zinc/54/34/20/573543420.db2.gz CAVKIIZICNVSPK-ZETCQYMHSA-N 0 0 182.219 1.768 10 0 ADAERN NCC(=O)c1cccc2cccnc12 107347837 573543422 /nfs/dbraw/zinc/54/34/22/573543422.db2.gz UZDCSRFCZFQYRV-UHFFFAOYSA-N 0 0 186.214 1.376 10 0 ADAERN CC(C)C[C@@](C[NH3+])(C(=O)[O-])C(F)F 257829696 573544010 /nfs/dbraw/zinc/54/40/10/573544010.db2.gz ITNQLYLJUIIDQR-QMMMGPOBSA-N 0 0 195.209 1.327 10 0 ADAERN CCOC(=O)C1(F)CCC(O)CC1 257825283 573543972 /nfs/dbraw/zinc/54/39/72/573543972.db2.gz HDEVTITVZNDRNT-UHFFFAOYSA-N 0 0 190.214 1.193 10 0 ADAERN COC(C)(C)COC[C@]1(C)CO1 393640979 573543451 /nfs/dbraw/zinc/54/34/51/573543451.db2.gz VWKZSCJBLWKLGL-SECBINFHSA-N 0 0 174.240 1.217 10 0 ADAERN CCO[C@H]1CC(=O)[C@]1(C)CC 83532173 573543465 /nfs/dbraw/zinc/54/34/65/573543465.db2.gz IKYGQZWWZQZDNK-IUCAKERBSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@H](O)/C(=C\c1ccccc1)CCO 308618884 573543469 /nfs/dbraw/zinc/54/34/69/573543469.db2.gz CDIUASAYHXATCF-JMZICWNOSA-N 0 0 192.258 1.833 10 0 ADAERN Cc1cc(Cl)c(C(N)N)cc1F 259500706 573543481 /nfs/dbraw/zinc/54/34/81/573543481.db2.gz ULMRFOCFCGOVKC-UHFFFAOYSA-N 0 0 188.633 1.704 10 0 ADAERN CCO[C@@H]1CC(=O)[C@]1(C)CC 83532171 573543489 /nfs/dbraw/zinc/54/34/89/573543489.db2.gz IKYGQZWWZQZDNK-BDAKNGLRSA-N 0 0 156.225 1.781 10 0 ADAERN OC[C@@]1(O)CCCc2cc(F)ccc21 257824814 573543499 /nfs/dbraw/zinc/54/34/99/573543499.db2.gz GZLQYZIFJMIKFQ-NSHDSACASA-N 0 0 196.221 1.342 10 0 ADAERN COC(=O)[C@H](F)c1cccs1 257825503 573543507 /nfs/dbraw/zinc/54/35/07/573543507.db2.gz HBMCIMBKQBZHIF-ZCFIWIBFSA-N 0 0 174.196 1.932 10 0 ADAERN COC[C@@H](C)C1=C[C@H](O)CC1 83549130 573549021 /nfs/dbraw/zinc/54/90/21/573549021.db2.gz UUQKXQHSGNEZEY-VXNVDRBHSA-N 0 0 156.225 1.350 10 0 ADAERN COc1c(O)cc(O)c(F)c1F 238434716 573543514 /nfs/dbraw/zinc/54/35/14/573543514.db2.gz WWUITGMXGZQLEC-UHFFFAOYSA-N 0 0 176.118 1.385 10 0 ADAERN C[C@@H]1Cc2cc3c(cc2N1)OCCO3 107352750 573543519 /nfs/dbraw/zinc/54/35/19/573543519.db2.gz ULNFYOSOCBPVSI-SSDOTTSWSA-N 0 0 191.230 1.814 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@]1(C)C[C@H]1C 714709036 573543537 /nfs/dbraw/zinc/54/35/37/573543537.db2.gz LOEYJXKYFJHJKJ-CHIQAWFVSA-N 0 0 167.252 1.415 10 0 ADAERN C[C@H](CCO)[C@@H]1CCCC[C@@H]1O 238435368 573543576 /nfs/dbraw/zinc/54/35/76/573543576.db2.gz XZRWFCXGFDMTBU-UTLUCORTSA-N 0 0 172.268 1.556 10 0 ADAERN CC(=O)Cc1cnc2c(F)cccn12 107354235 573543578 /nfs/dbraw/zinc/54/35/78/573543578.db2.gz AHPJAQPMGLUORN-UHFFFAOYSA-N 0 0 192.193 1.605 10 0 ADAERN CNc1cnn(-c2ccccc2O)c1 107349770 573543591 /nfs/dbraw/zinc/54/35/91/573543591.db2.gz PUKIZNDUARAOSU-UHFFFAOYSA-N 0 0 189.218 1.620 10 0 ADAERN COCCc1cccc(CNO)c1 259500040 573543623 /nfs/dbraw/zinc/54/36/23/573543623.db2.gz QUTQLHPXMWAYKY-UHFFFAOYSA-N 0 0 181.235 1.354 10 0 ADAERN C[C@H](O)C(F)(F)C[C@H]1CCCOC1 257824865 573543626 /nfs/dbraw/zinc/54/36/26/573543626.db2.gz HBMSAJIQZDVCMB-JGVFFNPUSA-N 0 0 194.221 1.819 10 0 ADAERN NCC(=O)c1ccc2ncccc2c1 107347833 573543630 /nfs/dbraw/zinc/54/36/30/573543630.db2.gz JKONJMYXMVXTAJ-UHFFFAOYSA-N 0 0 186.214 1.376 10 0 ADAERN CC(=O)c1nc(C)c2cccc(F)n12 107354241 573543647 /nfs/dbraw/zinc/54/36/47/573543647.db2.gz RMHKKQMRLLWZDB-UHFFFAOYSA-N 0 0 192.193 1.984 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)o1 259105614 573543671 /nfs/dbraw/zinc/54/36/71/573543671.db2.gz HKVVDDTZZBBMGJ-VIFPVBQESA-N 0 0 193.246 1.913 10 0 ADAERN c1cnn(CCC[C@@H]2CCCO2)c1 83531397 573543673 /nfs/dbraw/zinc/54/36/73/573543673.db2.gz IMXOFHAZHCOFEM-SNVBAGLBSA-N 0 0 180.251 1.842 10 0 ADAERN CC(=O)c1cnc2c(c1)nc(C)n2C 107349579 573543683 /nfs/dbraw/zinc/54/36/83/573543683.db2.gz HMSKJZNXWJUAIX-UHFFFAOYSA-N 0 0 189.218 1.479 10 0 ADAERN Cc1ccccc1-n1[nH]c(N)cc1=O 107349711 573543691 /nfs/dbraw/zinc/54/36/91/573543691.db2.gz MKHDBWSDLOGSSK-UHFFFAOYSA-N 0 0 189.218 1.056 10 0 ADAERN COc1c(O)ccc(C[C@@H](C)O)c1C 238435217 573543695 /nfs/dbraw/zinc/54/36/95/573543695.db2.gz LTMJEQLKJPLYKR-SSDOTTSWSA-N 0 0 196.246 1.633 10 0 ADAERN CC(C)(O)[C@@H](O)/C=C\c1ccccc1 308627365 573543702 /nfs/dbraw/zinc/54/37/02/573543702.db2.gz OPGXRJNKAJDFMZ-IQQGHNRFSA-N 0 0 192.258 1.832 10 0 ADAERN Cc1cncc2c1CC(=O)[C@@H]2C 238434687 573543760 /nfs/dbraw/zinc/54/37/60/573543760.db2.gz QDJKLXGJWWIRJL-SSDOTTSWSA-N 0 0 161.204 1.619 10 0 ADAERN COc1cccc([C@@H]2CCON2)c1 257824441 573543776 /nfs/dbraw/zinc/54/37/76/573543776.db2.gz GUOKUHUXDNIRRQ-JTQLQIEISA-N 0 0 179.219 1.661 10 0 ADAERN CN1CCCC[C@H]1c1csc(N)n1 258062889 573543782 /nfs/dbraw/zinc/54/37/82/573543782.db2.gz KVDBLEGRRPWWAO-QMMMGPOBSA-N 0 0 197.307 1.882 10 0 ADAERN [NH3+][C@@H](CO)c1ccc2sccc2c1 107357306 573543788 /nfs/dbraw/zinc/54/37/88/573543788.db2.gz DLQPEXARIDCQER-VIFPVBQESA-N 0 0 193.271 1.893 10 0 ADAERN CCN(C)c1c(C(=O)OC)noc1C 259501285 573543790 /nfs/dbraw/zinc/54/37/90/573543790.db2.gz UQBIHBOHOPUMSI-UHFFFAOYSA-N 0 0 198.222 1.226 10 0 ADAERN OC1(CC[C@H]2CCCO2)CC1 83525462 573543797 /nfs/dbraw/zinc/54/37/97/573543797.db2.gz VQAMGUKQGKCFNA-MRVPVSSYSA-N 0 0 156.225 1.471 10 0 ADAERN COC(=O)c1cc(N)c(Cl)cn1 107348005 573543805 /nfs/dbraw/zinc/54/38/05/573543805.db2.gz YGFVDRVENJXZNI-UHFFFAOYSA-N 0 0 186.598 1.104 10 0 ADAERN CC(=O)C1=C(O)CC[C@H]1C 238435518 573543811 /nfs/dbraw/zinc/54/38/11/573543811.db2.gz AOLATHQQWTUGQK-SVGQVSJJSA-N 0 0 140.182 1.191 10 0 ADAERN COC(=O)[C@H](N)C[C@H](C)CC(F)F 688725243 573543818 /nfs/dbraw/zinc/54/38/18/573543818.db2.gz FJVBOQNMGAUDLC-NTSWFWBYSA-N 0 0 195.209 1.168 10 0 ADAERN C[C@H](O)[C@H](O)C/C=C\c1ccccc1 308626931 573543834 /nfs/dbraw/zinc/54/38/34/573543834.db2.gz NRLSBOMUCCZKOK-LADFOUISSA-N 0 0 192.258 1.832 10 0 ADAERN COc1ccc(NCO)cc1Cl 258764245 573545079 /nfs/dbraw/zinc/54/50/79/573545079.db2.gz YCLLYFSPYVHCGF-UHFFFAOYSA-N 0 0 187.626 1.710 10 0 ADAERN CCC[NH2+][C@]1(CC(=O)[O-])C[C@H](C)[C@H]1C 308611179 573543846 /nfs/dbraw/zinc/54/38/46/573543846.db2.gz MVDJJMJCVJNTLR-NGZCFLSTSA-N 0 0 199.294 1.875 10 0 ADAERN Cn1nc(N)nc1-c1ccccc1F 107354266 573543850 /nfs/dbraw/zinc/54/38/50/573543850.db2.gz PUMYVGWHDFDZGF-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN C/C=C\[C@@H](O)CC(=O)C[C@@H](O)/C=C/C 308626724 573543858 /nfs/dbraw/zinc/54/38/58/573543858.db2.gz NHJNMPHMSCZKDO-UQGYXKRDSA-N 0 0 198.262 1.210 10 0 ADAERN O=Cc1nncn1-c1cccc(F)c1 107352153 573543874 /nfs/dbraw/zinc/54/38/74/573543874.db2.gz GDQIJEKWMOTRSM-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN CCc1cc(N)cc(=O)n1C1CC1 257825003 573543884 /nfs/dbraw/zinc/54/38/84/573543884.db2.gz GWSRYTXITSFWHY-UHFFFAOYSA-N 0 0 178.235 1.328 10 0 ADAERN NC(=[NH2+])c1cc(F)cc(Cl)c1[O-] 107349352 573543900 /nfs/dbraw/zinc/54/39/00/573543900.db2.gz SSABRISEDWOZJB-UHFFFAOYSA-N 0 0 188.589 1.469 10 0 ADAERN FC(F)(F)c1nnc(NC2CC2)o1 107355947 573543907 /nfs/dbraw/zinc/54/39/07/573543907.db2.gz LGYANRFPUPNYCE-UHFFFAOYSA-N 0 0 193.128 1.663 10 0 ADAERN Nc1cccc([C@@H]2C[C@@H]2O)c1 259500888 573543916 /nfs/dbraw/zinc/54/39/16/573543916.db2.gz YRAQDTBYQYVORD-IUCAKERBSA-N 0 0 149.193 1.117 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H](CF)O1 238434579 573543949 /nfs/dbraw/zinc/54/39/49/573543949.db2.gz FJYUJGQVZIXDDR-IYSWYEEDSA-N 0 0 146.161 1.093 10 0 ADAERN [NH3+]Cc1cnn(-c2ccccc2O)c1 107349800 573543951 /nfs/dbraw/zinc/54/39/51/573543951.db2.gz JCFBLEPKAYFJPB-UHFFFAOYSA-N 0 0 189.218 1.037 10 0 ADAERN C[C@H](CCO)Cc1nccs1 238434513 573543963 /nfs/dbraw/zinc/54/39/63/573543963.db2.gz ZREJYJVRIUOVQJ-SSDOTTSWSA-N 0 0 171.265 1.704 10 0 ADAERN [NH3+][C@H](CO)c1ccc2sccc2c1 107357303 573543964 /nfs/dbraw/zinc/54/39/64/573543964.db2.gz DLQPEXARIDCQER-SECBINFHSA-N 0 0 193.271 1.893 10 0 ADAERN Cc1nn(C2CSC2)c(C)c1C=O 257824790 573543979 /nfs/dbraw/zinc/54/39/79/573543979.db2.gz GYYFSLBDIRCTRG-UHFFFAOYSA-N 0 0 196.275 1.600 10 0 ADAERN CCc1c(C[NH2+]C)cnn1C(C)(C)C 257825373 573543986 /nfs/dbraw/zinc/54/39/86/573543986.db2.gz HFOVDBLMJNAUIO-UHFFFAOYSA-N 0 0 195.310 1.920 10 0 ADAERN CCOC(=O)[C@H]1[C@H](OC)C1(C)C 259501183 573544000 /nfs/dbraw/zinc/54/40/00/573544000.db2.gz ATASTBUJTIRHIC-RQJHMYQMSA-N 0 0 172.224 1.221 10 0 ADAERN CC(=O)c1nc(C)c2ccc(F)cn12 107354243 573544036 /nfs/dbraw/zinc/54/40/36/573544036.db2.gz GIDNARDNVBOIJH-UHFFFAOYSA-N 0 0 192.193 1.984 10 0 ADAERN COc1cccc2c1N[C@H](CO)CC2 107356653 573544037 /nfs/dbraw/zinc/54/40/37/573544037.db2.gz CIUQRPJONGDKLG-VIFPVBQESA-N 0 0 193.246 1.414 10 0 ADAERN O=C1NCC[C@H](c2ccccc2O)O1 107356291 573544070 /nfs/dbraw/zinc/54/40/70/573544070.db2.gz MOGDPBNYNPJYEP-SECBINFHSA-N 0 0 193.202 1.563 10 0 ADAERN CC(=O)c1[nH]nc2c1[C@@](C)(F)CC2 257824438 573544082 /nfs/dbraw/zinc/54/40/82/573544082.db2.gz GUCMDFXOKSXRBJ-VIFPVBQESA-N 0 0 182.198 1.743 10 0 ADAERN C[C@H](O)CC[C@@H]1CC(=O)C[C@@H]1C 238434735 573544086 /nfs/dbraw/zinc/54/40/86/573544086.db2.gz AJDNYTFIJCNKFU-XHNCKOQMSA-N 0 0 170.252 1.763 10 0 ADAERN CO[C@@H](CN(C)N)c1ccccc1C 257825318 573544090 /nfs/dbraw/zinc/54/40/90/573544090.db2.gz HEAQJVNUAPREFM-NSHDSACASA-N 0 0 194.278 1.488 10 0 ADAERN C[C@H](O)CC[C@@H](C)[C@H](C)O 238434490 573544112 /nfs/dbraw/zinc/54/41/12/573544112.db2.gz VWRMHWAYIOHUNG-CSMHCCOUSA-N 0 0 146.230 1.164 10 0 ADAERN COC(=O)[C@](C)(F)c1ccc(O)cc1 257825339 573544132 /nfs/dbraw/zinc/54/41/32/573544132.db2.gz HEKBWZZZBZPOHI-SNVBAGLBSA-N 0 0 198.193 1.750 10 0 ADAERN C=C/C=C(/OC)[C@H](C)O 238435024 573544141 /nfs/dbraw/zinc/54/41/41/573544141.db2.gz RBPGPOCCUHSNIZ-YXXZKMSWSA-N 0 0 128.171 1.084 10 0 ADAERN O=C([O-])CC[N@@H+]1CC[C@@H](CC2CC2)C1 393533418 573544145 /nfs/dbraw/zinc/54/41/45/573544145.db2.gz XUKCJOHSJKQQCL-JTQLQIEISA-N 0 0 197.278 1.583 10 0 ADAERN O=C(C[C@@H](O)CF)c1ccccc1 238678105 573544155 /nfs/dbraw/zinc/54/41/55/573544155.db2.gz LIVOJJFROMSKRM-SECBINFHSA-N 0 0 182.194 1.590 10 0 ADAERN C[C@H](CCO)[S@@](=O)C(C)(C)C 238435875 573545849 /nfs/dbraw/zinc/54/58/49/573545849.db2.gz HVKYWZKBTHCCMA-RDDDGLTNSA-N 0 0 178.297 1.305 10 0 ADAERN C[C@H](O)CC[C@@H](C)C1=NC(C)(C)CO1 308626940 573545489 /nfs/dbraw/zinc/54/54/89/573545489.db2.gz NSNJZKBNWLEAQN-BDAKNGLRSA-N 0 0 199.294 1.991 10 0 ADAERN Cc1nc(C(=O)[O-])n2ccc(F)cc12 107358367 573545492 /nfs/dbraw/zinc/54/54/92/573545492.db2.gz MXHRDAUHEGBGHZ-UHFFFAOYSA-N 0 0 194.165 1.480 10 0 ADAERN C[C@@H]([C@H](O)c1ccncc1)[NH+](C)C 238435548 573545500 /nfs/dbraw/zinc/54/55/00/573545500.db2.gz HBOIPODMVIBUPR-WPRPVWTQSA-N 0 0 180.251 1.065 10 0 ADAERN CCc1oc(CN)nc1C(F)(F)F 257824859 573545501 /nfs/dbraw/zinc/54/55/01/573545501.db2.gz HBIQRDASOWOAND-UHFFFAOYSA-N 0 0 194.156 1.715 10 0 ADAERN CCn1c(C2CCC2)cc(N)cc1=O 257824799 573545512 /nfs/dbraw/zinc/54/55/12/573545512.db2.gz GZECPUKBPKHIQP-UHFFFAOYSA-N 0 0 192.262 1.718 10 0 ADAERN CCOC(=O)/C=C/C=C/C(C)=C\CO 308619039 573544977 /nfs/dbraw/zinc/54/49/77/573544977.db2.gz CLPBOPCYHMZLKH-MRUUKKCESA-N 0 0 196.246 1.601 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@H]1C=C[C@@H](C(=O)[O-])C1 86658216 573545513 /nfs/dbraw/zinc/54/55/13/573545513.db2.gz MDWWDQASAUELSL-BBBLOLIVSA-N 0 0 195.262 1.500 10 0 ADAERN CC(O)=C1C(=O)O[C@@H](C)C[C@@H]1C 238436565 573544985 /nfs/dbraw/zinc/54/49/85/573544985.db2.gz XHZFFBGRAPRRLS-VMHSAVOQSA-N 0 0 170.208 1.163 10 0 ADAERN CO[C@@]1(CO)CCc2ccccc21 257824425 573544994 /nfs/dbraw/zinc/54/49/94/573544994.db2.gz GTJNCBORRYMUEI-LLVKDONJSA-N 0 0 178.231 1.467 10 0 ADAERN C[NH2+][C@@H](/C=C/C(=O)[O-])CC(C)C 259500444 573545011 /nfs/dbraw/zinc/54/50/11/573545011.db2.gz RZAQGDVCXVBLRN-ZJELKQJVSA-N 0 0 171.240 1.261 10 0 ADAERN COc1ccc(F)c2[nH]c(C[NH3+])cc12 107358589 573545013 /nfs/dbraw/zinc/54/50/13/573545013.db2.gz BPLJDHZKTGZJFC-UHFFFAOYSA-N 0 0 194.209 1.774 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]1C[NH+]1CCCC1 86658697 573545017 /nfs/dbraw/zinc/54/50/17/573545017.db2.gz PSBJLEKVMRZPNR-NXEZZACHSA-N 0 0 197.278 1.583 10 0 ADAERN CCC[NH2+][C@]1(CC(=O)[O-])C[C@@H](C)[C@H]1C 308611178 573545029 /nfs/dbraw/zinc/54/50/29/573545029.db2.gz MVDJJMJCVJNTLR-KKZNHRDASA-N 0 0 199.294 1.875 10 0 ADAERN CC(=O)C[C@@H]1O[C@@H](C)C[C@@H]1C 238436604 573545040 /nfs/dbraw/zinc/54/50/40/573545040.db2.gz VMBZLQQUTNZCSM-XVYDVKMFSA-N 0 0 156.225 1.779 10 0 ADAERN O=C([O-])C[C@H]1CC[NH2+]C2(CCCC2)C1 107365804 573545041 /nfs/dbraw/zinc/54/50/41/573545041.db2.gz WUYXGZJUGYCIEC-SECBINFHSA-N 0 0 197.278 1.774 10 0 ADAERN Nc1cc(F)ccc1CCCCO 257824386 573545050 /nfs/dbraw/zinc/54/50/50/573545050.db2.gz GRXNSQPTEIOQBW-UHFFFAOYSA-N 0 0 183.226 1.723 10 0 ADAERN C[C@H](CCO)n1nc2ccccc2n1 238436283 573545052 /nfs/dbraw/zinc/54/50/52/573545052.db2.gz FBYDHVMRNUTGLI-MRVPVSSYSA-N 0 0 191.234 1.375 10 0 ADAERN O=C([O-])c1cc2c(s1)CC[NH2+]CC2 107365736 573545056 /nfs/dbraw/zinc/54/50/56/573545056.db2.gz PZFNOEKEHXAARL-UHFFFAOYSA-N 0 0 197.259 1.135 10 0 ADAERN CNCNc1ccccc1F 258766532 573545068 /nfs/dbraw/zinc/54/50/68/573545068.db2.gz YLENYDQICBQUHS-UHFFFAOYSA-N 0 0 154.188 1.415 10 0 ADAERN CC[C@@H](O)/C(=C\c1ccccc1)CO 308619138 573545077 /nfs/dbraw/zinc/54/50/77/573545077.db2.gz CPYIVOQXXBGQEE-NXIHDVOMSA-N 0 0 192.258 1.833 10 0 ADAERN CC(=O)[C@@H](C)[C@H]1CCCC1=O 238435995 573545078 /nfs/dbraw/zinc/54/50/78/573545078.db2.gz QYOWWVMXQWDZSZ-HTRCEHHLSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H](CO)[C@@]1(O)CCCC1(C)C 238436627 573545086 /nfs/dbraw/zinc/54/50/86/573545086.db2.gz GJJNJTXNKKTCHK-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@H](CO)[C@H]1C(=O)CC[C@@H]1C 238436489 573545092 /nfs/dbraw/zinc/54/50/92/573545092.db2.gz URNIVDKDFKSIJD-OOZYFLPDSA-N 0 0 156.225 1.230 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]([NH+]2CCCC2)C1 86658657 573545115 /nfs/dbraw/zinc/54/51/15/573545115.db2.gz RXZJCSHYQZMFGO-ZJUUUORDSA-N 0 0 197.278 1.726 10 0 ADAERN C[C@@H]1CC(=O)N[C@H](C)[C@@H](C)C1 238435939 573545151 /nfs/dbraw/zinc/54/51/51/573545151.db2.gz YCCYQDZFZVECAQ-BIIVOSGPSA-N 0 0 155.241 1.557 10 0 ADAERN CN(C)c1c(F)cccc1CCCO 259500044 573545163 /nfs/dbraw/zinc/54/51/63/573545163.db2.gz QUXZSIJETHJJII-UHFFFAOYSA-N 0 0 197.253 1.817 10 0 ADAERN NN=c1[nH]c2cccc(N)c2s1 95619255 573545164 /nfs/dbraw/zinc/54/51/64/573545164.db2.gz XMYRYFHWDKOHML-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN N[C@@H](C(F)F)[C@H]1CCc2cccnc21 236299803 573545175 /nfs/dbraw/zinc/54/51/75/573545175.db2.gz WKHYSEFZLQTUAX-HTQZYQBOSA-N 0 0 198.216 1.704 10 0 ADAERN C[C@H]1C(=O)Cc2ccncc21 238435745 573545196 /nfs/dbraw/zinc/54/51/96/573545196.db2.gz AHXRYILWDXEULT-ZCFIWIBFSA-N 0 0 147.177 1.310 10 0 ADAERN C[C@@]12CCC[NH2+]C1=CCCC2=O 238436017 573545294 /nfs/dbraw/zinc/54/52/94/573545294.db2.gz NLGAWWNGLFGYHN-SNVBAGLBSA-N 0 0 165.236 1.623 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H](C)[C@@](C)(O)C1 238436195 573545210 /nfs/dbraw/zinc/54/52/10/573545210.db2.gz NZARJWQUFUCIKA-QNSHHTMESA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H]1CCC(=O)[C@H]1C[NH+](C)C 238435640 573545224 /nfs/dbraw/zinc/54/52/24/573545224.db2.gz CYKSVTDZYMPLQZ-SFYZADRCSA-N 0 0 155.241 1.163 10 0 ADAERN CO[C@@H]1CNc2ccc(O)cc2C1 257824414 573545235 /nfs/dbraw/zinc/54/52/35/573545235.db2.gz GSYSBBWMSJYURW-VIFPVBQESA-N 0 0 179.219 1.375 10 0 ADAERN COC(=O)[C@@H](N)C[C@H](C)CC(F)F 688725252 573545240 /nfs/dbraw/zinc/54/52/40/573545240.db2.gz FJVBOQNMGAUDLC-WDSKDSINSA-N 0 0 195.209 1.168 10 0 ADAERN CC(=O)c1nncc(C2CCCC2)n1 257824372 573545244 /nfs/dbraw/zinc/54/52/44/573545244.db2.gz GWEXODUTDCHPKE-UHFFFAOYSA-N 0 0 191.234 1.732 10 0 ADAERN C[C@H]1C(=O)CO[C@@H]1c1ccccc1 238436114 573545246 /nfs/dbraw/zinc/54/52/46/573545246.db2.gz JBUYPOJYMVZTPB-KWQFWETISA-N 0 0 176.215 1.963 10 0 ADAERN CO[C@@H](C)CNc1ccc(F)cc1N 223668050 573545279 /nfs/dbraw/zinc/54/52/79/573545279.db2.gz YAIIDUFDQGFUPS-ZETCQYMHSA-N 0 0 198.241 1.855 10 0 ADAERN C[C@H](CCO)c1cccn1C 238436111 573545286 /nfs/dbraw/zinc/54/52/86/573545286.db2.gz QZNORXOZQQPLNF-MRVPVSSYSA-N 0 0 153.225 1.511 10 0 ADAERN COC[C@@H]1CCc2ccc(O)cc2N1 257824767 573545290 /nfs/dbraw/zinc/54/52/90/573545290.db2.gz GYDUFAAUTFJHSM-VIFPVBQESA-N 0 0 193.246 1.765 10 0 ADAERN C[C@@H](O)/C(=C\c1ccccc1)CCO 308618888 573545291 /nfs/dbraw/zinc/54/52/91/573545291.db2.gz CDIUASAYHXATCF-WJEYQPDNSA-N 0 0 192.258 1.833 10 0 ADAERN Cn1nc(N)cc1[C@H]1CCCCO1 257825497 573545296 /nfs/dbraw/zinc/54/52/96/573545296.db2.gz HBMBOUBIFZPSQR-MRVPVSSYSA-N 0 0 181.239 1.244 10 0 ADAERN C[C@@]12CCCO[C@H]1CC(=O)CC2 238436290 573545528 /nfs/dbraw/zinc/54/55/28/573545528.db2.gz WMTISAXRUFDQEY-UWVGGRQHSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@]12CCCO[C@@H]1CCCC2=O 238436254 573545336 /nfs/dbraw/zinc/54/53/36/573545336.db2.gz OHNFXOHRPQEXHY-ZJUUUORDSA-N 0 0 168.236 1.925 10 0 ADAERN OCCCc1nc(C(F)(F)F)no1 130331718 573545343 /nfs/dbraw/zinc/54/53/43/573545343.db2.gz RYOKWYUAHWJRJI-UHFFFAOYSA-N 0 0 196.128 1.013 10 0 ADAERN O=c1cc2[nH]c3ccccc3nc-2[nH]1 39115153 573545354 /nfs/dbraw/zinc/54/53/54/573545354.db2.gz GCWVHBIPURVBEW-UHFFFAOYSA-N 0 0 185.186 1.124 10 0 ADAERN C[C@@H]1CCC[N@@H+]1C1(C(=O)[O-])CC1 86658192 573545532 /nfs/dbraw/zinc/54/55/32/573545532.db2.gz KISFMRMXGNXDDQ-SSDOTTSWSA-N 0 0 169.224 1.088 10 0 ADAERN CCOC(=O)/C=C\[C@@H](O)c1ccco1 308627338 573545380 /nfs/dbraw/zinc/54/53/80/573545380.db2.gz OHZAPYORVDPRBT-RPSMYOMKSA-N 0 0 196.202 1.432 10 0 ADAERN O=C([O-])[C@H]1C=C[C@H]([NH+]2CCCC2)C1 86658710 573545385 /nfs/dbraw/zinc/54/53/85/573545385.db2.gz FVFFNIDPSDPBKP-IUCAKERBSA-N 0 0 181.235 1.112 10 0 ADAERN C[C@H](CO)[C@@H](O)c1ccccc1O 238435996 573545450 /nfs/dbraw/zinc/54/54/50/573545450.db2.gz YYWLTJHRIUJEDE-GMSGAONNSA-N 0 0 182.219 1.054 10 0 ADAERN O=C([O-])[C@@H]1C=C[C@@H]([NH+]2CCCC2)C1 86658709 573545452 /nfs/dbraw/zinc/54/54/52/573545452.db2.gz FVFFNIDPSDPBKP-RKDXNWHRSA-N 0 0 181.235 1.112 10 0 ADAERN CC(C)N1Cc2cc(O)ccc2C1=O 198273450 573545456 /nfs/dbraw/zinc/54/54/56/573545456.db2.gz YRNRMYFHXRSFKD-UHFFFAOYSA-N 0 0 191.230 1.756 10 0 ADAERN CC[C@H](C)[N@H+](CC(=O)[O-])[C@H]1CC[C@H]1C 308626259 573545466 /nfs/dbraw/zinc/54/54/66/573545466.db2.gz WNAWLQSQRCLDKQ-UTLUCORTSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H](CO)[C@@]1(O)CCCCC1(C)C 238436639 573545483 /nfs/dbraw/zinc/54/54/83/573545483.db2.gz XMIFERWUCJZYED-KOLCDFICSA-N 0 0 186.295 1.946 10 0 ADAERN C[NH2+][C@H](/C=C/C(=O)[O-])CC(C)C 259500443 573545855 /nfs/dbraw/zinc/54/58/55/573545855.db2.gz RZAQGDVCXVBLRN-WTSVBCDHSA-N 0 0 171.240 1.261 10 0 ADAERN C/C(=C\c1ccccc1CCO)CO 308626966 573545840 /nfs/dbraw/zinc/54/58/40/573545840.db2.gz OADNIESAFKYHFB-CSKARUKUSA-N 0 0 192.258 1.617 10 0 ADAERN COC(=O)C=CNCCC1=CCCC1 308626734 573545667 /nfs/dbraw/zinc/54/56/67/573545667.db2.gz NKEGVWVTUSJTPW-CLFYSBASSA-N 0 0 195.262 1.763 10 0 ADAERN COC(=O)C1(CNc2cc[nH]c2)CC1 259118794 573545676 /nfs/dbraw/zinc/54/56/76/573545676.db2.gz YDFDRXFEFZJWPO-UHFFFAOYSA-N 0 0 194.234 1.380 10 0 ADAERN CCCc1nc(NN)cs1 259119282 573545686 /nfs/dbraw/zinc/54/56/86/573545686.db2.gz BUKZMTGMTSDUSI-UHFFFAOYSA-N 0 0 157.242 1.381 10 0 ADAERN COc1[nH]ccc1[C@@H](N)C(F)(F)F 238436432 573545693 /nfs/dbraw/zinc/54/56/93/573545693.db2.gz XBUZQWAGALOZJP-RXMQYKEDSA-N 0 0 194.156 1.585 10 0 ADAERN Cc1cc([C@H](C)O)sn1 238436047 573545699 /nfs/dbraw/zinc/54/56/99/573545699.db2.gz YWGVPAHWNLKCQO-YFKPBYRVSA-N 0 0 143.211 1.505 10 0 ADAERN Cc1ccc([C@H](C)NC=O)cn1 238435686 573545713 /nfs/dbraw/zinc/54/57/13/573545713.db2.gz JTJYCMPCBWWTGQ-QMMMGPOBSA-N 0 0 164.208 1.197 10 0 ADAERN CCOCC(COCC)=C(C)CO 238261729 573545718 /nfs/dbraw/zinc/54/57/18/573545718.db2.gz XBLDYCSAHNFHCM-UHFFFAOYSA-N 0 0 188.267 1.368 10 0 ADAERN C[C@@H](O)C(F)(F)c1ccc(O)cc1 257825314 573545720 /nfs/dbraw/zinc/54/57/20/573545720.db2.gz HEAGHYSTSVNTHX-ZCFIWIBFSA-N 0 0 188.173 1.865 10 0 ADAERN CC(C)[C@@H](C)c1cnc(CN)o1 83554451 573545844 /nfs/dbraw/zinc/54/58/44/573545844.db2.gz JUZNXTNBMJNTMQ-SSDOTTSWSA-N 0 0 168.240 1.893 10 0 ADAERN Nc1cccc([C@H]2C[C@H]2O)c1 259500890 573545740 /nfs/dbraw/zinc/54/57/40/573545740.db2.gz YRAQDTBYQYVORD-RKDXNWHRSA-N 0 0 149.193 1.117 10 0 ADAERN CO[C@H](CN(C)N)c1ccccc1C 257825316 573545743 /nfs/dbraw/zinc/54/57/43/573545743.db2.gz HEAQJVNUAPREFM-LLVKDONJSA-N 0 0 194.278 1.488 10 0 ADAERN CO/C=C/C[C@H]1NC(=O)C[C@H]1C 238435873 573545747 /nfs/dbraw/zinc/54/57/47/573545747.db2.gz NMXJWUVWWKVJMB-LFHXBRCSSA-N 0 0 169.224 1.061 10 0 ADAERN C[C@@H]1CCC(=O)[C@H]2CCC(=O)[C@@H]21 238435740 573545829 /nfs/dbraw/zinc/54/58/29/573545829.db2.gz PIKGZUDNFKDYSQ-BRDIYROLSA-N 0 0 166.220 1.581 10 0 ADAERN COC1(CN(C)N)CCCCC1 257825508 573545764 /nfs/dbraw/zinc/54/57/64/573545764.db2.gz HBUYOTYAFPGKMU-UHFFFAOYSA-N 0 0 172.272 1.141 10 0 ADAERN COc1c(O)cccc1[C@](C)(F)C[NH3+] 257824957 573545773 /nfs/dbraw/zinc/54/57/73/573545773.db2.gz GLAOCLFXXGSOMY-SNVBAGLBSA-N 0 0 199.225 1.544 10 0 ADAERN CC[C@H](C)[N@H+](CC(=O)[O-])[C@@H]1CC[C@H]1C 308626257 573545788 /nfs/dbraw/zinc/54/57/88/573545788.db2.gz WNAWLQSQRCLDKQ-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[C@@H](C[NH+]1CCCC1)C(=O)[O-] 86658675 573545792 /nfs/dbraw/zinc/54/57/92/573545792.db2.gz ZPJCOUNMDYUDSR-SECBINFHSA-N 0 0 185.267 1.439 10 0 ADAERN O[C@H]1C=C(c2cncnc2)CC1 83549245 573545796 /nfs/dbraw/zinc/54/57/96/573545796.db2.gz YJDXKMBCVWBIMK-SECBINFHSA-N 0 0 162.192 1.015 10 0 ADAERN C[C@H](O)CC[C@H]1OC1(C)C 238435568 573545798 /nfs/dbraw/zinc/54/57/98/573545798.db2.gz GXZPUBSSSITOLV-NKWVEPMBSA-N 0 0 144.214 1.325 10 0 ADAERN CSc1ncc2c(n1)C(=O)CCC2 107359842 573545802 /nfs/dbraw/zinc/54/58/02/573545802.db2.gz QAJIFIIFNJSDLW-UHFFFAOYSA-N 0 0 194.259 1.718 10 0 ADAERN COC(=O)C1=C(O)CC(C)(C)C1(C)C 39112639 573545805 /nfs/dbraw/zinc/54/58/05/573545805.db2.gz FBHQEHSOKYSPPK-MRVPVSSYSA-N 0 0 198.262 1.801 10 0 ADAERN NCc1ncc(CC2CCCC2)o1 83554514 573549071 /nfs/dbraw/zinc/54/90/71/573549071.db2.gz PLPGHZXJUAPMIW-UHFFFAOYSA-N 0 0 180.251 1.866 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H](C)[C@@H](NC=O)C1 238436168 573549073 /nfs/dbraw/zinc/54/90/73/573549073.db2.gz GTSNIXDLJMHYQD-QNSHHTMESA-N 0 0 183.251 1.126 10 0 ADAERN CCO[C@@H]1CCC=C[C@@H]1CC(N)=O 238263121 573549074 /nfs/dbraw/zinc/54/90/74/573549074.db2.gz PXVHJBJDNLAMEU-RKDXNWHRSA-N 0 0 183.251 1.233 10 0 ADAERN C[C@H](c1c[nH]c(C(=O)[O-])c1)[NH+](C)C 257825560 573549078 /nfs/dbraw/zinc/54/90/78/573549078.db2.gz HDHNHLYNJGNECD-ZCFIWIBFSA-N 0 0 182.223 1.336 10 0 ADAERN C[C@H](CO)[C@@H]1CCCC(=O)C1 238436178 573549081 /nfs/dbraw/zinc/54/90/81/573549081.db2.gz PRTLMKVUGRHUJX-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CCC1=C[C@@H](O)CC1 83548599 573549094 /nfs/dbraw/zinc/54/90/94/573549094.db2.gz PRZRXKYPWUUEFP-ZETCQYMHSA-N 0 0 112.172 1.478 10 0 ADAERN COc1c(O)ccc2oc(=O)ccc12 238435891 573549104 /nfs/dbraw/zinc/54/91/04/573549104.db2.gz ZULGLHHHICVIEY-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN CCCn1nccc1C1=C[C@@H](O)CC1 83549122 573546878 /nfs/dbraw/zinc/54/68/78/573546878.db2.gz GXLVDPBICXCBMH-JTQLQIEISA-N 0 0 192.262 1.831 10 0 ADAERN CO/C=C/C[C@H](O)C(C)C 238435806 573546883 /nfs/dbraw/zinc/54/68/83/573546883.db2.gz GREMQSHGDDGWSI-JQTRYQTASA-N 0 0 144.214 1.554 10 0 ADAERN C[C@H](CO)[C@@H](O)C=C1CCCCC1 238435822 573546887 /nfs/dbraw/zinc/54/68/87/573546887.db2.gz PHLXWALZTIJQCI-KOLCDFICSA-N 0 0 184.279 1.866 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]1C[NH+]1CCCC1 86658696 573546888 /nfs/dbraw/zinc/54/68/88/573546888.db2.gz PSBJLEKVMRZPNR-VHSXEESVSA-N 0 0 197.278 1.583 10 0 ADAERN O[C@H]1C=C(C2CC2)CC1 83548966 573546927 /nfs/dbraw/zinc/54/69/27/573546927.db2.gz GVQDSFUTHBBWTO-MRVPVSSYSA-N 0 0 124.183 1.478 10 0 ADAERN O[C@H]1C=C(c2cnccn2)CC1 83548776 573546935 /nfs/dbraw/zinc/54/69/35/573546935.db2.gz LENLZIKYFBAXAN-MRVPVSSYSA-N 0 0 162.192 1.015 10 0 ADAERN C[C@H]1C(=O)N[C@@]1(C)c1ccccc1 238436499 573546942 /nfs/dbraw/zinc/54/69/42/573546942.db2.gz NLFFHJRRPJMKLH-GZMMTYOYSA-N 0 0 175.231 1.668 10 0 ADAERN O[C@@H]1C=C(c2ccoc2)CC1 83548769 573546953 /nfs/dbraw/zinc/54/69/53/573546953.db2.gz AKPCEKRFZMPSLA-VIFPVBQESA-N 0 0 150.177 1.818 10 0 ADAERN C[C@@]12CCC[C@@H](C1=O)[C@](C)(C(N)=O)C2 238436521 573546954 /nfs/dbraw/zinc/54/69/54/573546954.db2.gz WMKCYRAQZGLQOK-BKDNQFJXSA-N 0 0 195.262 1.257 10 0 ADAERN CCn1nccc1N[C@H](C)CCOC 308611387 573546957 /nfs/dbraw/zinc/54/69/57/573546957.db2.gz QUIBEHFRURAIQY-SECBINFHSA-N 0 0 197.282 1.740 10 0 ADAERN NCc1ncc(-c2ccsc2)o1 83554512 573546962 /nfs/dbraw/zinc/54/69/62/573546962.db2.gz OSFJMLCEXOECQJ-UHFFFAOYSA-N 0 0 180.232 1.862 10 0 ADAERN O=C(CF)NCOC1CCCCC1 238679629 573546963 /nfs/dbraw/zinc/54/69/63/573546963.db2.gz YGFUGBMYNPSULO-UHFFFAOYSA-N 0 0 189.230 1.379 10 0 ADAERN CC(C)n1[nH]c(=O)c2c1CSCC2 257826398 573547505 /nfs/dbraw/zinc/54/75/05/573547505.db2.gz FVSAQTDUJSQDMO-UHFFFAOYSA-N 0 0 198.291 1.959 10 0 ADAERN O[C@H]1C=C(C[C@@H]2CCCO2)CC1 83548593 573546995 /nfs/dbraw/zinc/54/69/95/573546995.db2.gz CAXAGGRLQSBVQZ-ZJUUUORDSA-N 0 0 168.236 1.637 10 0 ADAERN CN1CCCC[C@@H]1c1csc(N)n1 258062885 573547003 /nfs/dbraw/zinc/54/70/03/573547003.db2.gz KVDBLEGRRPWWAO-MRVPVSSYSA-N 0 0 197.307 1.882 10 0 ADAERN CSc1nc(CCO)c(C)s1 238436695 573547508 /nfs/dbraw/zinc/54/75/08/573547508.db2.gz NWPXTZYHKCEWRY-UHFFFAOYSA-N 0 0 189.305 1.708 10 0 ADAERN CCCn1ccnc1C1=C[C@H](O)CC1 83549022 573547047 /nfs/dbraw/zinc/54/70/47/573547047.db2.gz CYCOULDSBCDZSE-SNVBAGLBSA-N 0 0 192.262 1.831 10 0 ADAERN COc1c(O)cccc1NC(C)=O 238436255 573547058 /nfs/dbraw/zinc/54/70/58/573547058.db2.gz CYLDRXUYMDDFSI-UHFFFAOYSA-N 0 0 181.191 1.359 10 0 ADAERN COC(=O)[C@@]1(C(C)=O)CCC[C@H]1C 86658858 573547065 /nfs/dbraw/zinc/54/70/65/573547065.db2.gz TULICQKZPAERFG-XCBNKYQSSA-N 0 0 184.235 1.555 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C(=O)[O-])C1 86658200 573547077 /nfs/dbraw/zinc/54/70/77/573547077.db2.gz IEGGOBAYJZGCKC-KXUCPTDWSA-N 0 0 197.278 1.724 10 0 ADAERN CNCNc1ccc(Cl)s1 258770374 573549112 /nfs/dbraw/zinc/54/91/12/573549112.db2.gz ATDWNESCLJZWEQ-UHFFFAOYSA-N 0 0 176.672 1.990 10 0 ADAERN NCc1ncc([C@H]2CCCCO2)o1 83554418 573547090 /nfs/dbraw/zinc/54/70/90/573547090.db2.gz UOTCBKPRPUMADE-SSDOTTSWSA-N 0 0 182.223 1.375 10 0 ADAERN OCc1csc(-c2cc[nH]c2)n1 259119245 573547102 /nfs/dbraw/zinc/54/71/02/573547102.db2.gz BUAQVXZQFZNWLO-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN CCCn1nccc1C1=C[C@H](O)CC1 83549121 573547126 /nfs/dbraw/zinc/54/71/26/573547126.db2.gz GXLVDPBICXCBMH-SNVBAGLBSA-N 0 0 192.262 1.831 10 0 ADAERN CC(=O)OC[C@@H]1O[C@@H](C)C[C@@H]1C 238436625 573547146 /nfs/dbraw/zinc/54/71/46/573547146.db2.gz UBJFBRRDLPCGOK-ZKWXMUAHSA-N 0 0 172.224 1.363 10 0 ADAERN CC[C@H](O)/C(=C\c1ccccc1)CO 308619133 573547154 /nfs/dbraw/zinc/54/71/54/573547154.db2.gz CPYIVOQXXBGQEE-KGTBHZDVSA-N 0 0 192.258 1.833 10 0 ADAERN C[C@@H]1[C@@H](c2ccccc2)O[C@@H](N)N1C 238436202 573547155 /nfs/dbraw/zinc/54/71/55/573547155.db2.gz KHSUYHQKAPWTHG-MIMYLULJSA-N 0 0 192.262 1.321 10 0 ADAERN CC(=O)[C@@H](C)[C@H](O)c1ccncc1 238435531 573547165 /nfs/dbraw/zinc/54/71/65/573547165.db2.gz MRWVXWXQHMJOBQ-XCBNKYQSSA-N 0 0 179.219 1.340 10 0 ADAERN Nc1ncccc1CC1=C[C@H](O)CC1 83548939 573547168 /nfs/dbraw/zinc/54/71/68/573547168.db2.gz FXSMQCMPTMOFOQ-SNVBAGLBSA-N 0 0 190.246 1.287 10 0 ADAERN CCC1=C[C@H](O)CC1 83548598 573547181 /nfs/dbraw/zinc/54/71/81/573547181.db2.gz PRZRXKYPWUUEFP-SSDOTTSWSA-N 0 0 112.172 1.478 10 0 ADAERN CC[C@@H](C)c1cnc(CN)o1 83554468 573547243 /nfs/dbraw/zinc/54/72/43/573547243.db2.gz NONBJQBYSVSXJE-ZCFIWIBFSA-N 0 0 154.213 1.647 10 0 ADAERN O[C@@H]1C=C(c2cccnc2)CC1 83549227 573547254 /nfs/dbraw/zinc/54/72/54/573547254.db2.gz JCFVBDOANCDCCQ-JTQLQIEISA-N 0 0 161.204 1.620 10 0 ADAERN C[C@@H]1C(=O)[C@@H]2CC=C[C@H]1C2 238436544 573547261 /nfs/dbraw/zinc/54/72/61/573547261.db2.gz NOCARRHVHHHVMQ-BIIVOSGPSA-N 0 0 136.194 1.788 10 0 ADAERN O[C@@H]1C=C(c2cnccn2)CC1 83548778 573547267 /nfs/dbraw/zinc/54/72/67/573547267.db2.gz LENLZIKYFBAXAN-QMMMGPOBSA-N 0 0 162.192 1.015 10 0 ADAERN CC(=O)C[C@@H]1C=CC=CCC1=O 197385335 573547272 /nfs/dbraw/zinc/54/72/72/573547272.db2.gz NFEYOPWDRPLFEQ-VIFPVBQESA-N 0 0 164.204 1.667 10 0 ADAERN O[C@@H]1C=C(C[C@H]2CCCO2)CC1 83548595 573547275 /nfs/dbraw/zinc/54/72/75/573547275.db2.gz CAXAGGRLQSBVQZ-VHSXEESVSA-N 0 0 168.236 1.637 10 0 ADAERN CC1=CC[C@](O)([C@H](C)CCO)CC1 238435828 573547281 /nfs/dbraw/zinc/54/72/81/573547281.db2.gz RJPQOCLAAGMQPC-GHMZBOCLSA-N 0 0 184.279 1.866 10 0 ADAERN OC/C=C\c1cccc(/C=C/CO)n1 308629994 573549118 /nfs/dbraw/zinc/54/91/18/573549118.db2.gz SOZGEMBIUKQFLB-MFDSWNTHSA-N 0 0 191.230 1.093 10 0 ADAERN CCn1cc(C2=C[C@H](O)CC2)cn1 83548951 573549119 /nfs/dbraw/zinc/54/91/19/573549119.db2.gz WVZKAFWWIHSKTJ-SNVBAGLBSA-N 0 0 178.235 1.441 10 0 ADAERN CCC[C@H](O)/C=C1\OC(=O)C=C1OC 308618978 573547292 /nfs/dbraw/zinc/54/72/92/573547292.db2.gz CHRODHDWKGRDDG-VYVBZAQUSA-N 0 0 198.218 1.118 10 0 ADAERN CNCC(F)(F)C[C@@H]1CCCCO1 257825762 573547311 /nfs/dbraw/zinc/54/73/11/573547311.db2.gz HHGVGSMTXPYQEO-QMMMGPOBSA-N 0 0 193.237 1.800 10 0 ADAERN C=Cc1c(C=O)nc(SC)n1C 238436511 573547312 /nfs/dbraw/zinc/54/73/12/573547312.db2.gz HMKWZTHVFOHWSQ-UHFFFAOYSA-N 0 0 182.248 1.598 10 0 ADAERN O=C([O-])c1cnc([C@H]2CCCC[NH2+]2)o1 107363804 573547314 /nfs/dbraw/zinc/54/73/14/573547314.db2.gz KCWPINADTCNIBO-ZCFIWIBFSA-N 0 0 196.206 1.187 10 0 ADAERN O[C@@H]1C=C(C[C@@H]2CCCO2)CC1 83548596 573547331 /nfs/dbraw/zinc/54/73/31/573547331.db2.gz CAXAGGRLQSBVQZ-UWVGGRQHSA-N 0 0 168.236 1.637 10 0 ADAERN O[C@H]1C=C([C@H]2CCOC2)CC1 83548620 573547353 /nfs/dbraw/zinc/54/73/53/573547353.db2.gz WUJQOLZXHMLVGF-DTWKUNHWSA-N 0 0 154.209 1.104 10 0 ADAERN CC(O)=C1CC[C@@H](C)SC1=O 238436063 573547361 /nfs/dbraw/zinc/54/73/61/573547361.db2.gz DWBXQYPXOVKVBV-VDTYLAMSSA-N 0 0 172.249 1.634 10 0 ADAERN OCC[C@@](O)(c1ccccc1)C1CC1 238679049 573547366 /nfs/dbraw/zinc/54/73/66/573547366.db2.gz DOUSMOMSEMJRTA-GFCCVEGCSA-N 0 0 192.258 1.667 10 0 ADAERN NCc1ncc(CC2CC2)o1 83554415 573547367 /nfs/dbraw/zinc/54/73/67/573547367.db2.gz IHHZKRKPLFAJOX-UHFFFAOYSA-N 0 0 152.197 1.086 10 0 ADAERN Nc1ncccc1C1=C[C@H](O)CC1 83548935 573547377 /nfs/dbraw/zinc/54/73/77/573547377.db2.gz XLEAASFBNVBRNY-MRVPVSSYSA-N 0 0 176.219 1.202 10 0 ADAERN COC(=O)c1c[nH]c2c(c1=O)CCC2 257826230 573547379 /nfs/dbraw/zinc/54/73/79/573547379.db2.gz HMIGGFQSJIOAQC-UHFFFAOYSA-N 0 0 193.202 1.063 10 0 ADAERN COC[C@@H](C)C1=C[C@@H](O)CC1 83549135 573547398 /nfs/dbraw/zinc/54/73/98/573547398.db2.gz UUQKXQHSGNEZEY-APPZFPTMSA-N 0 0 156.225 1.350 10 0 ADAERN N[C@H](C(F)F)[C@@H]1CCc2cccnc21 236310314 573547416 /nfs/dbraw/zinc/54/74/16/573547416.db2.gz WKHYSEFZLQTUAX-YUMQZZPRSA-N 0 0 198.216 1.704 10 0 ADAERN CC(C)(O)[C@H](O)/C=C\c1ccccc1 308627366 573547417 /nfs/dbraw/zinc/54/74/17/573547417.db2.gz OPGXRJNKAJDFMZ-TYBABMIJSA-N 0 0 192.258 1.832 10 0 ADAERN OC/C=C1\CCCSC1 259118354 573547431 /nfs/dbraw/zinc/54/74/31/573547431.db2.gz FOQFMQBBYYNUJG-XVNBXDOJSA-N 0 0 144.239 1.432 10 0 ADAERN C[C@H](O)CC[S@](=O)C(C)(C)C 238435733 573547480 /nfs/dbraw/zinc/54/74/80/573547480.db2.gz HTIQCUNGLMXXLM-CPCISQLKSA-N 0 0 178.297 1.305 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@@H](C(=O)[O-])C(C)(C)C 86658157 573547484 /nfs/dbraw/zinc/54/74/84/573547484.db2.gz JHKMKDBVJVTDSK-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H](C[C@H]([NH3+])C1CCCC1)C(=O)[O-] 259502254 573547489 /nfs/dbraw/zinc/54/74/89/573547489.db2.gz UNNBQPNQOLJYSD-APPZFPTMSA-N 0 0 185.267 1.615 10 0 ADAERN CO[C@H]1CCC[C@@](C)(C(N)=O)C1 197389965 573547491 /nfs/dbraw/zinc/54/74/91/573547491.db2.gz DQIFNDPQDJPXGA-IONNQARKSA-N 0 0 171.240 1.067 10 0 ADAERN CC(C)[C@H](C)c1cnc(CN)o1 83554452 573547496 /nfs/dbraw/zinc/54/74/96/573547496.db2.gz JUZNXTNBMJNTMQ-ZETCQYMHSA-N 0 0 168.240 1.893 10 0 ADAERN C[C@H](C(N)=O)[C@@H]1C=CCCC1 238436024 573549126 /nfs/dbraw/zinc/54/91/26/573549126.db2.gz ODRSESIEZYYFLV-JGVFFNPUSA-N 0 0 153.225 1.464 10 0 ADAERN C[C@H](CCO)[C@@]1(O)CC=CCC1 238435844 573547525 /nfs/dbraw/zinc/54/75/25/573547525.db2.gz XZEKWGMIPPHOPO-NXEZZACHSA-N 0 0 170.252 1.476 10 0 ADAERN CCc1nnn(-c2ccccc2)c1N 257825854 573547528 /nfs/dbraw/zinc/54/75/28/573547528.db2.gz HKDULRNIZAXMBF-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN COc1cc(C=O)cc(OC)c1N 197390218 573547529 /nfs/dbraw/zinc/54/75/29/573547529.db2.gz SXXIBYAOLWVKKT-UHFFFAOYSA-N 0 0 181.191 1.099 10 0 ADAERN CC(C)Oc1ccc2c(n1)CCN2 257825980 573547535 /nfs/dbraw/zinc/54/75/35/573547535.db2.gz HHJQERAHKFIGOY-UHFFFAOYSA-N 0 0 178.235 1.837 10 0 ADAERN Cc1ccncc1C(=O)OCl 95627001 573547565 /nfs/dbraw/zinc/54/75/65/573547565.db2.gz ABFDXDQEZYRSEN-UHFFFAOYSA-N 0 0 171.583 1.701 10 0 ADAERN O=C(CC1=NCCO1)c1cccnc1 259119690 573547577 /nfs/dbraw/zinc/54/75/77/573547577.db2.gz IOEVYPNYAPAHQH-UHFFFAOYSA-N 0 0 190.202 1.083 10 0 ADAERN Cn1cc(CC2=C[C@@H](O)CC2)cn1 83549172 573547602 /nfs/dbraw/zinc/54/76/02/573547602.db2.gz QRJPITGBSKIBGF-JTQLQIEISA-N 0 0 178.235 1.044 10 0 ADAERN CCn1nccc1N[C@@H](C)CCOC 308611388 573547607 /nfs/dbraw/zinc/54/76/07/573547607.db2.gz QUIBEHFRURAIQY-VIFPVBQESA-N 0 0 197.282 1.740 10 0 ADAERN C[C@H](CCO)[S@](=O)C(C)(C)C 238435899 573547619 /nfs/dbraw/zinc/54/76/19/573547619.db2.gz HVKYWZKBTHCCMA-HQJQHLMTSA-N 0 0 178.297 1.305 10 0 ADAERN N[C@@H](C1=CCCCCC1)c1nc[nH]n1 236305480 573547646 /nfs/dbraw/zinc/54/76/46/573547646.db2.gz NYOKSHJKQQPNKY-VIFPVBQESA-N 0 0 192.266 1.695 10 0 ADAERN C[C@@]12CCCO[C@H]1CCCC2=O 238436303 573547668 /nfs/dbraw/zinc/54/76/68/573547668.db2.gz OHNFXOHRPQEXHY-UWVGGRQHSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H](NC2=NCCO2)C1 238436371 573549027 /nfs/dbraw/zinc/54/90/27/573549027.db2.gz TZIZJRZHXVVVED-BBBLOLIVSA-N 0 0 196.294 1.787 10 0 ADAERN O[C@H]1C=C([C@@H]2CCOC2)CC1 83548617 573549029 /nfs/dbraw/zinc/54/90/29/573549029.db2.gz WUJQOLZXHMLVGF-RKDXNWHRSA-N 0 0 154.209 1.104 10 0 ADAERN O[C@@H]1C=C(c2ccco2)CC1 83548774 573547706 /nfs/dbraw/zinc/54/77/06/573547706.db2.gz DNTOWXBERJWEBA-QMMMGPOBSA-N 0 0 150.177 1.818 10 0 ADAERN C[C@H]1CCCC[C@]1(O)[C@H](C)CO 238436652 573547708 /nfs/dbraw/zinc/54/77/08/573547708.db2.gz RNHLBMKYXYLCBL-IVZWLZJFSA-N 0 0 172.268 1.556 10 0 ADAERN CCn1ccnc1C1=C[C@H](O)CC1 83549025 573547749 /nfs/dbraw/zinc/54/77/49/573547749.db2.gz GZZYIOGSVIHTAJ-SECBINFHSA-N 0 0 178.235 1.441 10 0 ADAERN O[C@@H]1C=C([C@@H]2CCOC2)CC1 83548618 573547758 /nfs/dbraw/zinc/54/77/58/573547758.db2.gz WUJQOLZXHMLVGF-BDAKNGLRSA-N 0 0 154.209 1.104 10 0 ADAERN Cc1nc(C(=O)[O-])n2c(F)cccc12 107358349 573547779 /nfs/dbraw/zinc/54/77/79/573547779.db2.gz FWFUCHQIPHHTBZ-UHFFFAOYSA-N 0 0 194.165 1.480 10 0 ADAERN C[C@H](O)CCn1nc2ccccc2n1 238436327 573547785 /nfs/dbraw/zinc/54/77/85/573547785.db2.gz PDUHPIPJCABPIV-QMMMGPOBSA-N 0 0 191.234 1.202 10 0 ADAERN O[C@H]1C=C(c2ccco2)CC1 83548771 573547794 /nfs/dbraw/zinc/54/77/94/573547794.db2.gz DNTOWXBERJWEBA-MRVPVSSYSA-N 0 0 150.177 1.818 10 0 ADAERN Nc1cc(CC2=C[C@H](O)CC2)ccn1 83548830 573547806 /nfs/dbraw/zinc/54/78/06/573547806.db2.gz VPJPMIHWZZFINF-SNVBAGLBSA-N 0 0 190.246 1.287 10 0 ADAERN CC(C)(C)Cc1cnc(CN)o1 83554487 573547859 /nfs/dbraw/zinc/54/78/59/573547859.db2.gz CNGYYRONIPUITA-UHFFFAOYSA-N 0 0 168.240 1.722 10 0 ADAERN C[C@H]1C(=O)[C@@H]1c1ccccc1 238435829 573547860 /nfs/dbraw/zinc/54/78/60/573547860.db2.gz GQQVUEVRXRWUDL-APPZFPTMSA-N 0 0 146.189 1.989 10 0 ADAERN COc1cc(F)cc2[nH]c(C[NH3+])cc12 107358586 573547878 /nfs/dbraw/zinc/54/78/78/573547878.db2.gz LWDARPVOAMBUMR-UHFFFAOYSA-N 0 0 194.209 1.774 10 0 ADAERN OCC1=CCCOCCCC=C[C@@H]1O 308627502 573547910 /nfs/dbraw/zinc/54/79/10/573547910.db2.gz OWENOUUZNXSGDP-NSHDSACASA-N 0 0 198.262 1.023 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]([NH+]2CCCC2)C1 86658655 573547915 /nfs/dbraw/zinc/54/79/15/573547915.db2.gz RXZJCSHYQZMFGO-UWVGGRQHSA-N 0 0 197.278 1.726 10 0 ADAERN OCC[C@H]1CCNc2c(O)cccc21 257825852 573547919 /nfs/dbraw/zinc/54/79/19/573547919.db2.gz HKBZCQQUJXBRLN-MRVPVSSYSA-N 0 0 193.246 1.674 10 0 ADAERN COc1c(O)ccc2ncccc12 238435864 573547920 /nfs/dbraw/zinc/54/79/20/573547920.db2.gz SALXJCJLPOKFOP-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN Cc1ccccc1[C@@H]1CONC(=O)O1 257825835 573547952 /nfs/dbraw/zinc/54/79/52/573547952.db2.gz HJLLDNIRWAUADI-VIFPVBQESA-N 0 0 193.202 1.708 10 0 ADAERN O[C@H]1C=C(CC2CCOCC2)CC1 83548754 573547954 /nfs/dbraw/zinc/54/79/54/573547954.db2.gz NVUIIGVQOKJUDF-LLVKDONJSA-N 0 0 182.263 1.884 10 0 ADAERN OCC[C@@H]1CCNc2c(O)cccc21 257825853 573547960 /nfs/dbraw/zinc/54/79/60/573547960.db2.gz HKBZCQQUJXBRLN-QMMMGPOBSA-N 0 0 193.246 1.674 10 0 ADAERN c1ccc(COCn2cncn2)cc1 144534269 573549036 /nfs/dbraw/zinc/54/90/36/573549036.db2.gz OCCGOXDUCOLAFL-UHFFFAOYSA-N 0 0 189.218 1.452 10 0 ADAERN C[C@H](CO)[C@H]1C(=O)CCC[C@@H]1C 238436503 573549037 /nfs/dbraw/zinc/54/90/37/573549037.db2.gz OPQVUCSDGOCLCO-XKSSXDPKSA-N 0 0 170.252 1.620 10 0 ADAERN C[C@H]1C[C@@H]1c1cnc(CN)o1 83554435 573548007 /nfs/dbraw/zinc/54/80/07/573548007.db2.gz GVBHPTLLJVPPGQ-WDSKDSINSA-N 0 0 152.197 1.257 10 0 ADAERN N[C@@H](C1=CCCCC1)c1ncccn1 236304938 573548030 /nfs/dbraw/zinc/54/80/30/573548030.db2.gz WWEAKCXYIWASCB-JTQLQIEISA-N 0 0 189.262 1.977 10 0 ADAERN CCC[C@H]([NH3+])[C@@H](C(=O)[O-])C(C)C 259504049 573548044 /nfs/dbraw/zinc/54/80/44/573548044.db2.gz RBVBVLPQZYBDNQ-YUMQZZPRSA-N 0 0 173.256 1.471 10 0 ADAERN O[C@@H]1C=C([C@H]2CCOC2)CC1 83548622 573548056 /nfs/dbraw/zinc/54/80/56/573548056.db2.gz WUJQOLZXHMLVGF-IUCAKERBSA-N 0 0 154.209 1.104 10 0 ADAERN Cc1ccc(/C=C\[C@@H](O)CCO)cc1 308627417 573548077 /nfs/dbraw/zinc/54/80/77/573548077.db2.gz ORVQXAPTLIZALQ-ZHRWSRJISA-N 0 0 192.258 1.752 10 0 ADAERN O=C([O-])C[C@@H]1CC[NH2+]C2(CCCC2)C1 107365802 573548087 /nfs/dbraw/zinc/54/80/87/573548087.db2.gz WUYXGZJUGYCIEC-VIFPVBQESA-N 0 0 197.278 1.774 10 0 ADAERN COC(=O)C[C@@H](ON)c1ccccc1 257825856 573548088 /nfs/dbraw/zinc/54/80/88/573548088.db2.gz HKJKSNHSQLAZRQ-SECBINFHSA-N 0 0 195.218 1.181 10 0 ADAERN CCCCc1cnc(CN)o1 83554474 573548124 /nfs/dbraw/zinc/54/81/24/573548124.db2.gz RVTIFUHMDSHJRC-UHFFFAOYSA-N 0 0 154.213 1.476 10 0 ADAERN Cc1nc(C(=O)[O-])n2cccc(F)c12 107358343 573548131 /nfs/dbraw/zinc/54/81/31/573548131.db2.gz LXEROFJWYLCLAY-UHFFFAOYSA-N 0 0 194.165 1.480 10 0 ADAERN CC(=O)c1cc(F)c2c(c1)COCO2 107363543 573548155 /nfs/dbraw/zinc/54/81/55/573548155.db2.gz BLMYNUNVHLOIFF-UHFFFAOYSA-N 0 0 196.177 1.895 10 0 ADAERN CCCn1ccnc1C1=C[C@@H](O)CC1 83549024 573548156 /nfs/dbraw/zinc/54/81/56/573548156.db2.gz CYCOULDSBCDZSE-JTQLQIEISA-N 0 0 192.262 1.831 10 0 ADAERN COc1nc[nH]c2cc(=O)ccc1-2 238436530 573548173 /nfs/dbraw/zinc/54/81/73/573548173.db2.gz GAYZPMUAMXNUAI-UHFFFAOYSA-N 0 0 176.175 1.344 10 0 ADAERN C[C@@H]1C[C@H]1c1cnc(CN)o1 83554436 573548177 /nfs/dbraw/zinc/54/81/77/573548177.db2.gz GVBHPTLLJVPPGQ-PHDIDXHHSA-N 0 0 152.197 1.257 10 0 ADAERN CO[C@@H]1CCC[C@](C)(C(N)=O)C1 197389979 573548178 /nfs/dbraw/zinc/54/81/78/573548178.db2.gz DQIFNDPQDJPXGA-APPZFPTMSA-N 0 0 171.240 1.067 10 0 ADAERN Cc1nc(C(=O)[O-])n2cc(F)ccc12 107358358 573548182 /nfs/dbraw/zinc/54/81/82/573548182.db2.gz GUWKZESXUZZBJA-UHFFFAOYSA-N 0 0 194.165 1.480 10 0 ADAERN C[C@@H]1COC(=O)N1c1ccc(O)cc1 257826211 573548183 /nfs/dbraw/zinc/54/81/83/573548183.db2.gz HLHBSXLQKXTJKC-SSDOTTSWSA-N 0 0 193.202 1.737 10 0 ADAERN C[C@@H]1C[C@H](C)C(=O)[C@@H](O)[C@@H](C)C1 238436679 573548185 /nfs/dbraw/zinc/54/81/85/573548185.db2.gz TWDFAFITHMAHMF-JBDRJPRFSA-N 0 0 170.252 1.619 10 0 ADAERN NCc1ncc([C@@H]2CCCOC2)o1 83554522 573548212 /nfs/dbraw/zinc/54/82/12/573548212.db2.gz QGBOQHZAFIIVEY-SSDOTTSWSA-N 0 0 182.223 1.027 10 0 ADAERN CCCCC[C@@H]1COCCN1N=O 33639520 573548214 /nfs/dbraw/zinc/54/82/14/573548214.db2.gz YMPPTRTVHVHEOC-SECBINFHSA-N 0 0 186.255 1.949 10 0 ADAERN CCn1nccc1C1=C[C@H](O)CC1 83548698 573548225 /nfs/dbraw/zinc/54/82/25/573548225.db2.gz MJIZTPPYHBLKBL-SECBINFHSA-N 0 0 178.235 1.441 10 0 ADAERN O[C@H]1C=C(c2cncc(F)c2)CC1 83548787 573548239 /nfs/dbraw/zinc/54/82/39/573548239.db2.gz OSUGCCKQRRXNIQ-SNVBAGLBSA-N 0 0 179.194 1.759 10 0 ADAERN COC(=O)[C@@H]1C[C@@]12CCCC[C@@H]2O 257826026 573548242 /nfs/dbraw/zinc/54/82/42/573548242.db2.gz HJTQAUYDXDVFRL-NRPADANISA-N 0 0 184.235 1.101 10 0 ADAERN C[C@H](O)[C@H](F)[C@@H]1CCC[N@H+](C)C1 257826004 573548250 /nfs/dbraw/zinc/54/82/50/573548250.db2.gz HIRGQSWDOYEROY-YIZRAAEISA-N 0 0 175.247 1.047 10 0 ADAERN NCC(=O)c1cc(F)c(F)c(F)c1 83553863 573548259 /nfs/dbraw/zinc/54/82/59/573548259.db2.gz HHVQNWDPRVUOBR-UHFFFAOYSA-N 0 0 189.136 1.245 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]([NH+]2CCCC2)C1 86658656 573548272 /nfs/dbraw/zinc/54/82/72/573548272.db2.gz RXZJCSHYQZMFGO-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN COC(=O)N[C@H]1CC1(Cl)Cl 197386655 573548293 /nfs/dbraw/zinc/54/82/93/573548293.db2.gz YSVODZFYTSTQHD-VKHMYHEASA-N 0 0 184.022 1.289 10 0 ADAERN CCc1nnc2n1CCC[C@H]2C 258063195 573549043 /nfs/dbraw/zinc/54/90/43/573549043.db2.gz ASZFMRFLMLJREF-SSDOTTSWSA-N 0 0 165.240 1.738 10 0 ADAERN COC(=O)c1nccc(C2CCC2)n1 259118483 573548318 /nfs/dbraw/zinc/54/83/18/573548318.db2.gz PIPANXRBKKWWQE-UHFFFAOYSA-N 0 0 192.218 1.531 10 0 ADAERN O[C@@H]1CC[C@@H](Oc2ccncc2)C1 259501705 573548340 /nfs/dbraw/zinc/54/83/40/573548340.db2.gz JKHKTMUAXMZAOQ-PSASIEDQSA-N 0 0 179.219 1.374 10 0 ADAERN Cc1ccc([S@](C)=O)c([C@H](C)O)c1 238435973 573548356 /nfs/dbraw/zinc/54/83/56/573548356.db2.gz HYMCMSHGYPCJQH-SDBXPKJASA-N 0 0 198.287 1.786 10 0 ADAERN CCOCCC[C@@H]1CCC[C@H]1O 83552642 573548374 /nfs/dbraw/zinc/54/83/74/573548374.db2.gz KDNFJAIOUDXEQJ-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN O[C@@H]1C=C(C2CC2)CC1 83548967 573548386 /nfs/dbraw/zinc/54/83/86/573548386.db2.gz GVQDSFUTHBBWTO-QMMMGPOBSA-N 0 0 124.183 1.478 10 0 ADAERN C[C@H](CCO)[C@]1(O)CCCC1(C)C 238435861 573548388 /nfs/dbraw/zinc/54/83/88/573548388.db2.gz KFXSHXVEQNAUDQ-MWLCHTKSSA-N 0 0 186.295 1.946 10 0 ADAERN CCn1nc2c(c1C=O)CSC2 257825977 573548389 /nfs/dbraw/zinc/54/83/89/573548389.db2.gz HHFPKCJBUCGABR-UHFFFAOYSA-N 0 0 182.248 1.462 10 0 ADAERN Nc1ccc([C@@H]2CCCSC2)nn1 259501703 573548393 /nfs/dbraw/zinc/54/83/93/573548393.db2.gz QZASMLQRURGSCS-SSDOTTSWSA-N 0 0 195.291 1.669 10 0 ADAERN C[C@H]1C[C@H]1c1cnc(CN)o1 83554437 573548404 /nfs/dbraw/zinc/54/84/04/573548404.db2.gz GVBHPTLLJVPPGQ-NTSWFWBYSA-N 0 0 152.197 1.257 10 0 ADAERN O=C([O-])Cc1ncc2cccc(F)n12 107358346 573548415 /nfs/dbraw/zinc/54/84/15/573548415.db2.gz XEQKRRZCXNITKT-UHFFFAOYSA-N 0 0 194.165 1.101 10 0 ADAERN O[C@H]1C=C(c2cccnc2)CC1 83549226 573548416 /nfs/dbraw/zinc/54/84/16/573548416.db2.gz JCFVBDOANCDCCQ-SNVBAGLBSA-N 0 0 161.204 1.620 10 0 ADAERN C[C@@H](CCC(=O)[O-])CC[NH+]1CCCC1 86658665 573548424 /nfs/dbraw/zinc/54/84/24/573548424.db2.gz HWWXJJFSWJSLKZ-JTQLQIEISA-N 0 0 199.294 1.973 10 0 ADAERN C[C@H](CCO)c1cccc(O)c1 238436061 573548430 /nfs/dbraw/zinc/54/84/30/573548430.db2.gz SXEXWDXEZSSTDS-MRVPVSSYSA-N 0 0 166.220 1.878 10 0 ADAERN CCC(C)(C)c1cnc(CN)o1 83554521 573548434 /nfs/dbraw/zinc/54/84/34/573548434.db2.gz DTLSWXNTGAEAEZ-UHFFFAOYSA-N 0 0 168.240 1.821 10 0 ADAERN O=Cc1nc(Cl)c2ccc(F)cn12 107367018 573548446 /nfs/dbraw/zinc/54/84/46/573548446.db2.gz PSVCPPHHYUZQKR-UHFFFAOYSA-N 0 0 198.584 1.939 10 0 ADAERN C[C@H]1COC(=O)N1c1cccc(N)c1 224296894 573548450 /nfs/dbraw/zinc/54/84/50/573548450.db2.gz AEPNXDGUMLXXCX-ZETCQYMHSA-N 0 0 192.218 1.614 10 0 ADAERN CC(C)CCCN(C)C(=O)C=O 258769079 573548452 /nfs/dbraw/zinc/54/84/52/573548452.db2.gz WTIZFHGTZPMBAL-UHFFFAOYSA-N 0 0 171.240 1.080 10 0 ADAERN COC(=O)[C@H]1CCc2c(N)cccc21 257825849 573548456 /nfs/dbraw/zinc/54/84/56/573548456.db2.gz HJWFAQPYLGERAL-VIFPVBQESA-N 0 0 191.230 1.472 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]([NH3+])c1cccs1 259503911 573548465 /nfs/dbraw/zinc/54/84/65/573548465.db2.gz USISUVFSHKHLCV-MUWHJKNJSA-N 0 0 199.275 1.859 10 0 ADAERN COC(=O)[C@]1(C(C)=O)CCC[C@H]1C 86658856 573549048 /nfs/dbraw/zinc/54/90/48/573549048.db2.gz TULICQKZPAERFG-GMSGAONNSA-N 0 0 184.235 1.555 10 0 ADAERN COc1c2[nH]cccc-2ccc1=O 238435817 573548472 /nfs/dbraw/zinc/54/84/72/573548472.db2.gz CODCAMJRSGXUBO-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN Cc1cnc(N)c(C2=C[C@@H](O)CC2)c1 83548781 573548473 /nfs/dbraw/zinc/54/84/73/573548473.db2.gz IONPABLUDGFPEJ-VIFPVBQESA-N 0 0 190.246 1.510 10 0 ADAERN Nc1ccc([C@H]2CCCSC2)nn1 259501704 573548474 /nfs/dbraw/zinc/54/84/74/573548474.db2.gz QZASMLQRURGSCS-ZETCQYMHSA-N 0 0 195.291 1.669 10 0 ADAERN COc1c([O-])ccc2c(=O)ccoc12 238435609 573548484 /nfs/dbraw/zinc/54/84/84/573548484.db2.gz UTWILMWDOZIFEI-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN CCn1cc(CC2=C[C@@H](O)CC2)cn1 83548989 573548493 /nfs/dbraw/zinc/54/84/93/573548493.db2.gz GDDWQRLXIGYQKW-NSHDSACASA-N 0 0 192.262 1.527 10 0 ADAERN CC(C)c1cnc2n1CC[C@@H](O)C2 257826434 573548499 /nfs/dbraw/zinc/54/84/99/573548499.db2.gz HMASCHFZYQASJS-MRVPVSSYSA-N 0 0 180.251 1.314 10 0 ADAERN O[C@@H]1C=C(c2cncc(F)c2)CC1 83548788 573548500 /nfs/dbraw/zinc/54/85/00/573548500.db2.gz OSUGCCKQRRXNIQ-JTQLQIEISA-N 0 0 179.194 1.759 10 0 ADAERN COC(=O)C[C@H](ON)c1ccccc1 257825857 573549051 /nfs/dbraw/zinc/54/90/51/573549051.db2.gz HKJKSNHSQLAZRQ-VIFPVBQESA-N 0 0 195.218 1.181 10 0 ADAERN O=C1CCC(N2CCCOC2=O)CC1 86662564 573548523 /nfs/dbraw/zinc/54/85/23/573548523.db2.gz ARGSJMDMMFIUMK-UHFFFAOYSA-N 0 0 197.234 1.340 10 0 ADAERN CC(C)C[N@@H+]1CC[C@](C)(CC(=O)[O-])C1 259503147 573548530 /nfs/dbraw/zinc/54/85/30/573548530.db2.gz TVJUXZQUHKPWCY-LLVKDONJSA-N 0 0 199.294 1.829 10 0 ADAERN O[C@@H]1C=C(CC2CCOCC2)CC1 83548756 573548544 /nfs/dbraw/zinc/54/85/44/573548544.db2.gz NVUIIGVQOKJUDF-NSHDSACASA-N 0 0 182.263 1.884 10 0 ADAERN O=Cc1nc(Cl)c2c(F)cccn12 107367012 573548563 /nfs/dbraw/zinc/54/85/63/573548563.db2.gz ZSDMMAHAROCXGE-UHFFFAOYSA-N 0 0 198.584 1.939 10 0 ADAERN CCOCCCCCCO 83553559 573548569 /nfs/dbraw/zinc/54/85/69/573548569.db2.gz GTAZGFNDWFFGKW-UHFFFAOYSA-N 0 0 146.230 1.576 10 0 ADAERN CC[C@H](C)c1cnc(CN)o1 83554469 573548581 /nfs/dbraw/zinc/54/85/81/573548581.db2.gz NONBJQBYSVSXJE-LURJTMIESA-N 0 0 154.213 1.647 10 0 ADAERN O=C([O-])[C@@H]1C=C[C@H]([NH+]2CCCC2)C1 86658708 573548591 /nfs/dbraw/zinc/54/85/91/573548591.db2.gz FVFFNIDPSDPBKP-BDAKNGLRSA-N 0 0 181.235 1.112 10 0 ADAERN Cc1oc(C)c(C(=O)CN)c1C 83553819 573548616 /nfs/dbraw/zinc/54/86/16/573548616.db2.gz YZNRAWYWVFEVMT-UHFFFAOYSA-N 0 0 167.208 1.346 10 0 ADAERN COc1cc(O)ccc1[C@H](F)CO 257826088 573548627 /nfs/dbraw/zinc/54/86/27/573548627.db2.gz GYDMWIOXKPKFAT-MRVPVSSYSA-N 0 0 186.182 1.404 10 0 ADAERN Cc1cc(C=O)c(O)c(C)n1 197380369 573548640 /nfs/dbraw/zinc/54/86/40/573548640.db2.gz FNVFZWCJRFZKJH-UHFFFAOYSA-N 0 0 151.165 1.217 10 0 ADAERN Cn1cc(CC2=C[C@H](O)CC2)cn1 83549171 573548650 /nfs/dbraw/zinc/54/86/50/573548650.db2.gz QRJPITGBSKIBGF-SNVBAGLBSA-N 0 0 178.235 1.044 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)[C@@H]2C)cc1 238435661 573548653 /nfs/dbraw/zinc/54/86/53/573548653.db2.gz BUVDLPUGXZQWTF-KOLCDFICSA-N 0 0 189.258 1.845 10 0 ADAERN CCOC(=O)c1cc(C(C)=O)n(C)c1 259503133 573548664 /nfs/dbraw/zinc/54/86/64/573548664.db2.gz AZRJFQUMGACLCU-UHFFFAOYSA-N 0 0 195.218 1.404 10 0 ADAERN CCc1cccnc1CC(C)=O 259118397 573548687 /nfs/dbraw/zinc/54/86/87/573548687.db2.gz FPQXUPOLWXTIFE-UHFFFAOYSA-N 0 0 163.220 1.776 10 0 ADAERN CC(=O)Nc1ccc(SNN)cc1 259118737 573548701 /nfs/dbraw/zinc/54/87/01/573548701.db2.gz BQFXVOYHNNBBTJ-UHFFFAOYSA-N 0 0 197.263 1.115 10 0 ADAERN CC(C)(C(=O)[O-])C(C)(C)[NH+]1CCCC1 86658681 573548709 /nfs/dbraw/zinc/54/87/09/573548709.db2.gz VKTINTDTZWQQCG-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)[C@]1(C(C)=O)CCC[C@@H]1C 86658857 573548722 /nfs/dbraw/zinc/54/87/22/573548722.db2.gz TULICQKZPAERFG-OIBJUYFYSA-N 0 0 184.235 1.555 10 0 ADAERN C[N@@H+]1CCC[C@H](CC(=O)[O-])C1(C)C 259503253 573548724 /nfs/dbraw/zinc/54/87/24/573548724.db2.gz TXMKLMBSHZTVOO-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)Nc1cc(NC#N)ncn1 258768783 573548751 /nfs/dbraw/zinc/54/87/51/573548751.db2.gz YQNFNBWTDJNFEO-UHFFFAOYSA-N 0 0 177.211 1.190 10 0 ADAERN CO/C=C/C[C@H]1NC(=O)C[C@@H]1C 238435859 573548776 /nfs/dbraw/zinc/54/87/76/573548776.db2.gz NMXJWUVWWKVJMB-IQPYVPGXSA-N 0 0 169.224 1.061 10 0 ADAERN CNc1nnc(C2CCCCC2)n1C 107360580 573548781 /nfs/dbraw/zinc/54/87/81/573548781.db2.gz WZSFBIXNGSTAGB-UHFFFAOYSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@H](O)CCc1ccccc1CCO 238436117 573548802 /nfs/dbraw/zinc/54/88/02/573548802.db2.gz JSMCWZHHHKMGEB-JTQLQIEISA-N 0 0 194.274 1.535 10 0 ADAERN C[C@H]([NH3+])c1coc(F)c1 238436018 573548810 /nfs/dbraw/zinc/54/88/10/573548810.db2.gz XNXNUHRCTRNUNT-BYPYZUCNSA-N 0 0 129.134 1.438 10 0 ADAERN CCCn1cc(C2=C[C@@H](O)CC2)cn1 83548792 573548811 /nfs/dbraw/zinc/54/88/11/573548811.db2.gz HSLOJJVVOMUIMC-NSHDSACASA-N 0 0 192.262 1.831 10 0 ADAERN COC[C@H](C)C1=C[C@H](O)CC1 83549128 573548824 /nfs/dbraw/zinc/54/88/24/573548824.db2.gz UUQKXQHSGNEZEY-IONNQARKSA-N 0 0 156.225 1.350 10 0 ADAERN Cc1cc(O)c(C)c(C)c1CNO 259503405 573548825 /nfs/dbraw/zinc/54/88/25/573548825.db2.gz RCIURTXHDFJHHU-UHFFFAOYSA-N 0 0 181.235 1.796 10 0 ADAERN CC(C)=C1C=C(CO)C1 197389422 573548826 /nfs/dbraw/zinc/54/88/26/573548826.db2.gz WYAICEWCZKSJHY-UHFFFAOYSA-N 0 0 124.183 1.645 10 0 ADAERN COCCCC1=C[C@@H](O)CC1 83548881 573548830 /nfs/dbraw/zinc/54/88/30/573548830.db2.gz FGVJZDVEPUULEF-VIFPVBQESA-N 0 0 156.225 1.494 10 0 ADAERN C[C@H]1C(=O)N[C@]1(C)c1ccccc1 238436595 573548841 /nfs/dbraw/zinc/54/88/41/573548841.db2.gz NLFFHJRRPJMKLH-KWQFWETISA-N 0 0 175.231 1.668 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H](C)C[N@H+]1C 238436216 573548849 /nfs/dbraw/zinc/54/88/49/573548849.db2.gz DRKPCMDTOPVHBN-APPZFPTMSA-N 0 0 155.241 1.306 10 0 ADAERN NCc1ncc([C@@H]2CCCCO2)o1 83554417 573548851 /nfs/dbraw/zinc/54/88/51/573548851.db2.gz UOTCBKPRPUMADE-ZETCQYMHSA-N 0 0 182.223 1.375 10 0 ADAERN O=C([O-])[C@H]1C=C[C@@H]([NH+]2CCCC2)C1 86658711 573548866 /nfs/dbraw/zinc/54/88/66/573548866.db2.gz FVFFNIDPSDPBKP-DTWKUNHWSA-N 0 0 181.235 1.112 10 0 ADAERN C[C@@H]1CC(=O)N[C@@H](C)[C@@H](C)C1 238436591 573548869 /nfs/dbraw/zinc/54/88/69/573548869.db2.gz YCCYQDZFZVECAQ-FXQIFTODSA-N 0 0 155.241 1.557 10 0 ADAERN COC(=O)N[C@@H]1CC1(Cl)Cl 197386642 573548870 /nfs/dbraw/zinc/54/88/70/573548870.db2.gz YSVODZFYTSTQHD-GSVOUGTGSA-N 0 0 184.022 1.289 10 0 ADAERN CC(C)=C1C(=S)NC(=O)[C@@H]1C 238436128 573548874 /nfs/dbraw/zinc/54/88/74/573548874.db2.gz UTDPDBURISPFOY-RXMQYKEDSA-N 0 0 169.249 1.416 10 0 ADAERN Cc1ccoc1-c1cnc(CN)o1 83554410 573548877 /nfs/dbraw/zinc/54/88/77/573548877.db2.gz OARDIRDRZAQINH-UHFFFAOYSA-N 0 0 178.191 1.702 10 0 ADAERN C[C@@H](/C=C/c1ccccc1)NC=O 238435656 573548921 /nfs/dbraw/zinc/54/89/21/573548921.db2.gz CBVYSORMEVFHHX-JARNTUPDSA-N 0 0 175.231 1.834 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])C1CCCC1)C(=O)[O-] 259502258 573548941 /nfs/dbraw/zinc/54/89/41/573548941.db2.gz UNNBQPNQOLJYSD-IONNQARKSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1CCC[N@@H+]1C(C)(C)CC(=O)[O-] 86658172 573548953 /nfs/dbraw/zinc/54/89/53/573548953.db2.gz BHWIZAUQVCEXSD-MRVPVSSYSA-N 0 0 185.267 1.724 10 0 ADAERN O[C@H]1CC[C@H](Oc2ccncc2)C1 259501711 573548967 /nfs/dbraw/zinc/54/89/67/573548967.db2.gz JKHKTMUAXMZAOQ-WPRPVWTQSA-N 0 0 179.219 1.374 10 0 ADAERN CSc1nc(C)[nH]c(=S)c1N 238435566 573549067 /nfs/dbraw/zinc/54/90/67/573549067.db2.gz DXKGKKKJMXSCSA-UHFFFAOYSA-N 0 0 187.293 1.752 10 0 ADAERN COC[C@@H](Nc1nnc(C)o1)C(C)C 308628702 573548988 /nfs/dbraw/zinc/54/89/88/573548988.db2.gz YAASVNJKBORMTO-MRVPVSSYSA-N 0 0 199.254 1.461 10 0 ADAERN O=C1CCC(N2CCCCC2=O)CC1 86662579 573548990 /nfs/dbraw/zinc/54/89/90/573548990.db2.gz DZASSLMKGZILAI-UHFFFAOYSA-N 0 0 195.262 1.511 10 0 ADAERN NCc1ncc([C@H]2CCCOC2)o1 83554523 573549003 /nfs/dbraw/zinc/54/90/03/573549003.db2.gz QGBOQHZAFIIVEY-ZETCQYMHSA-N 0 0 182.223 1.027 10 0 ADAERN C[C@@]12CCC[C@@H](C(=O)CC1)C2=O 238436359 573549009 /nfs/dbraw/zinc/54/90/09/573549009.db2.gz XEYZVEDMVKSJKU-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@H](CO)[C@H]1CCC(=O)[C@@H]1C 238437526 573550609 /nfs/dbraw/zinc/55/06/09/573550609.db2.gz GCISHFMKHHGYCO-BWZBUEFSSA-N 0 0 156.225 1.230 10 0 ADAERN CCC[C@H]([NH3+])[C@H](C(=O)[O-])C(C)C 259504045 573550610 /nfs/dbraw/zinc/55/06/10/573550610.db2.gz RBVBVLPQZYBDNQ-JGVFFNPUSA-N 0 0 173.256 1.471 10 0 ADAERN OCC1(c2ccccc2O)CC1 257825568 573550622 /nfs/dbraw/zinc/55/06/22/573550622.db2.gz GRMWZSAIMNAIFV-UHFFFAOYSA-N 0 0 164.204 1.416 10 0 ADAERN C[C@H]1CCN2C(=O)CCC[C@@H]2C1 238437747 573553647 /nfs/dbraw/zinc/55/36/47/573553647.db2.gz WQUHBTKLZMFPPU-DTWKUNHWSA-N 0 0 167.252 1.797 10 0 ADAERN COc1cc(O)ccc1[C@@H](F)CO 257826089 573551442 /nfs/dbraw/zinc/55/14/42/573551442.db2.gz GYDMWIOXKPKFAT-QMMMGPOBSA-N 0 0 186.182 1.404 10 0 ADAERN CCCCC(=O)NC1CC(OC)C1 393535294 573554440 /nfs/dbraw/zinc/55/44/40/573554440.db2.gz BVWFGFQKRVCTTL-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@H](CO)[C@H](O)c1cccs1 238437440 573551701 /nfs/dbraw/zinc/55/17/01/573551701.db2.gz FWAFELRFZPLGQD-SVRRBLITSA-N 0 0 172.249 1.410 10 0 ADAERN c1ncc2c(n1)CN(C1CCC1)C2 585332021 573551798 /nfs/dbraw/zinc/55/17/98/573551798.db2.gz BJOBVZIECDZTRA-UHFFFAOYSA-N 0 0 175.235 1.345 10 0 ADAERN C[C@]12CC=CNC(=O)[C@H]1CCC2 238437657 573551758 /nfs/dbraw/zinc/55/17/58/573551758.db2.gz PNYXEDXJWZHFNJ-SCZZXKLOSA-N 0 0 165.236 1.826 10 0 ADAERN C[C@H](N)c1ncc(C2CC2)o1 83554591 573550281 /nfs/dbraw/zinc/55/02/81/573550281.db2.gz APAHTSHNHXBQNI-YFKPBYRVSA-N 0 0 152.197 1.572 10 0 ADAERN C[C@H]1CCN2CCCC[C@@H]2C1=O 238437673 573550286 /nfs/dbraw/zinc/55/02/86/573550286.db2.gz DJOHGCBQDMMSNG-DTWKUNHWSA-N 0 0 167.252 1.450 10 0 ADAERN CO[C@@H](C)Cc1ccccc1CO 259501801 573550291 /nfs/dbraw/zinc/55/02/91/573550291.db2.gz RAVJXZKDDSHQRT-VIFPVBQESA-N 0 0 180.247 1.756 10 0 ADAERN N[C@H](C(F)F)[C@H]1CCc2cccnc21 236310389 573550297 /nfs/dbraw/zinc/55/02/97/573550297.db2.gz WKHYSEFZLQTUAX-SFYZADRCSA-N 0 0 198.216 1.704 10 0 ADAERN CCn1[nH]c2cc(C=O)ccc2c1=O 257825838 573550298 /nfs/dbraw/zinc/55/02/98/573550298.db2.gz HJQYFBNWGFJBPZ-UHFFFAOYSA-N 0 0 190.202 1.162 10 0 ADAERN CC(C)(C[C@H]([NH3+])c1ccc[nH]1)C(=O)[O-] 259120160 573550301 /nfs/dbraw/zinc/55/03/01/573550301.db2.gz BWRFDVZQCIGFEM-ZETCQYMHSA-N 0 0 196.250 1.515 10 0 ADAERN C/C=C\[C@H](O)[C@](C)(O)c1ccccc1 308628355 573550305 /nfs/dbraw/zinc/55/03/05/573550305.db2.gz QGNZEXZMVWDQDU-MOKYYMMQSA-N 0 0 192.258 1.831 10 0 ADAERN C[C@H]1C[C@H](CC(N)=O)CC1(C)C 238437601 573550317 /nfs/dbraw/zinc/55/03/17/573550317.db2.gz CKYPCAWOQFDBTN-JGVFFNPUSA-N 0 0 169.268 1.934 10 0 ADAERN C[C@H](O)[C@@H](F)[C@@H]1CCC[N@H+](C)C1 257826002 573550324 /nfs/dbraw/zinc/55/03/24/573550324.db2.gz HIRGQSWDOYEROY-DJLDLDEBSA-N 0 0 175.247 1.047 10 0 ADAERN CCCCCC[C@H](O)COC(C)=O 135777674 573550326 /nfs/dbraw/zinc/55/03/26/573550326.db2.gz RQVSMDAQFJPHGK-JTQLQIEISA-N 0 0 188.267 1.881 10 0 ADAERN CC(C)COC(=O)C[C@H](O)C(C)C 78907972 573551761 /nfs/dbraw/zinc/55/17/61/573551761.db2.gz LXHOYUDLTYKMEH-VIFPVBQESA-N 0 0 188.267 1.593 10 0 ADAERN COc1ccc(O)cc1[C@@H](C)CO 257826161 573551763 /nfs/dbraw/zinc/55/17/63/573551763.db2.gz HDERZFLHHXQBJY-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN Cc1ccc(O)c2[nH]c(C=O)cc12 257826058 573550413 /nfs/dbraw/zinc/55/04/13/573550413.db2.gz HLUUTBNKFIZPOJ-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN C[C@@H](N)c1ncc([C@@H]2CCCO2)o1 83554678 573550417 /nfs/dbraw/zinc/55/04/17/573550417.db2.gz NVUMKRUDGLYYOO-RQJHMYQMSA-N 0 0 182.223 1.546 10 0 ADAERN CC(=O)[C@H](O)[C@@H]1CCCC[C@@H]1C 238438120 573550457 /nfs/dbraw/zinc/55/04/57/573550457.db2.gz LYEISXLTEIIDFT-SFGNSQDASA-N 0 0 170.252 1.763 10 0 ADAERN COC(=O)[C@@H](C(C)C)C1COC1 259502632 573550420 /nfs/dbraw/zinc/55/04/20/573550420.db2.gz QIOULIVNAGSEID-QMMMGPOBSA-N 0 0 172.224 1.078 10 0 ADAERN C[C@H](C[C@@H]([NH3+])C1CCCC1)C(=O)[O-] 259502261 573550430 /nfs/dbraw/zinc/55/04/30/573550430.db2.gz UNNBQPNQOLJYSD-VXNVDRBHSA-N 0 0 185.267 1.615 10 0 ADAERN OCCCNc1ccc2ncoc2c1 259121506 573550435 /nfs/dbraw/zinc/55/04/35/573550435.db2.gz VZRJUYWMESFIND-UHFFFAOYSA-N 0 0 192.218 1.622 10 0 ADAERN OCCc1ncc2cc(F)ccc2n1 257825717 573550444 /nfs/dbraw/zinc/55/04/44/573550444.db2.gz HFYSMSRNLPFDNJ-UHFFFAOYSA-N 0 0 192.193 1.304 10 0 ADAERN C[C@H]1CC[C@H](C)CC(C(N)=O)C1 238437458 573551768 /nfs/dbraw/zinc/55/17/68/573551768.db2.gz HIYRCYPOYHTBRJ-YUMQZZPRSA-N 0 0 169.268 1.934 10 0 ADAERN COC(=O)[C@H](N)CCCC1CCC1 259122126 573550466 /nfs/dbraw/zinc/55/04/66/573550466.db2.gz RWZOIAPKPPFFFH-SECBINFHSA-N 0 0 185.267 1.457 10 0 ADAERN C[C@@H](N)c1ncc(C[C@@H]2CCCO2)o1 83554710 573550473 /nfs/dbraw/zinc/55/04/73/573550473.db2.gz REOODDOPCZZBMB-SFYZADRCSA-N 0 0 196.250 1.416 10 0 ADAERN C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1(C)C 259503256 573550481 /nfs/dbraw/zinc/55/04/81/573550481.db2.gz TXMKLMBSHZTVOO-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CC(=O)c1cccc(=O)n1CC(C)C 257825833 573550504 /nfs/dbraw/zinc/55/05/04/573550504.db2.gz HJJVXJVHTAOQTB-UHFFFAOYSA-N 0 0 193.246 1.707 10 0 ADAERN Nc1ccccc1N1CC2(CC2)C1 86662889 573550515 /nfs/dbraw/zinc/55/05/15/573550515.db2.gz TXKFXMOCERADJP-UHFFFAOYSA-N 0 0 174.247 1.869 10 0 ADAERN CC(=O)Cc1cccccc1=O 197385429 573550531 /nfs/dbraw/zinc/55/05/31/573550531.db2.gz HDFUHNGDYNGMHD-UHFFFAOYSA-N 0 0 162.188 1.178 10 0 ADAERN CC(=O)CC1CSC1 107396010 573550551 /nfs/dbraw/zinc/55/05/51/573550551.db2.gz LLWGAEMCBQVCGN-UHFFFAOYSA-N 0 0 130.212 1.329 10 0 ADAERN C[C@H](CO)[C@]1(O)CCCCC1(C)C 238438134 573550580 /nfs/dbraw/zinc/55/05/80/573550580.db2.gz XMIFERWUCJZYED-MWLCHTKSSA-N 0 0 186.295 1.946 10 0 ADAERN CCN(CC)C(=O)/C=C\[C@H](C)[C@@H](C)O 308629478 573550603 /nfs/dbraw/zinc/55/06/03/573550603.db2.gz RWJLLGPHFKOCKT-ZTXJHGQBSA-N 0 0 199.294 1.428 10 0 ADAERN CCCc1cnc([C@H](C)N)o1 83554575 573550581 /nfs/dbraw/zinc/55/05/81/573550581.db2.gz XQTZHAAHGVVLOH-LURJTMIESA-N 0 0 154.213 1.647 10 0 ADAERN C[C@@H]1NC(=O)C[C@@H]1[C@@]1(C)C[C@H]1C 714709596 573550638 /nfs/dbraw/zinc/55/06/38/573550638.db2.gz NJWXBULOMXOZJD-VEVYYDQMSA-N 0 0 167.252 1.557 10 0 ADAERN CNC(NC)c1cccc(OC)c1 259502013 573550663 /nfs/dbraw/zinc/55/06/63/573550663.db2.gz SCTBORCCKUMGQQ-UHFFFAOYSA-N 0 0 180.251 1.133 10 0 ADAERN OCC1(C2(c3cc[nH]c3)COC2)CC1 259122815 573550673 /nfs/dbraw/zinc/55/06/73/573550673.db2.gz GUKJRKPIDWPOBS-UHFFFAOYSA-N 0 0 193.246 1.055 10 0 ADAERN O=C1CCSc2ccoc21 197381044 573550685 /nfs/dbraw/zinc/55/06/85/573550685.db2.gz WJMPTCIWNLQCBZ-UHFFFAOYSA-N 0 0 154.190 1.958 10 0 ADAERN C[C@@H](O)[C@@H]1O[C@@H]1[Si](C)(C)C 238437688 573550688 /nfs/dbraw/zinc/55/06/88/573550688.db2.gz VDBDOFKVUVDHCD-DSYKOEDSSA-N 0 0 160.289 1.012 10 0 ADAERN COc1c(C(F)F)[nH]ccc1=O 238437173 573550696 /nfs/dbraw/zinc/55/06/96/573550696.db2.gz WSMDOHVNKLANLQ-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN O=Cc1nncc(C2CCCC2)n1 257825650 573550711 /nfs/dbraw/zinc/55/07/11/573550711.db2.gz HGACCYOFTBMSLH-UHFFFAOYSA-N 0 0 177.207 1.342 10 0 ADAERN C[C@H](N)c1ncc(-c2ccnn2C)o1 83554553 573550713 /nfs/dbraw/zinc/55/07/13/573550713.db2.gz OACSNUJYVIDRHT-LURJTMIESA-N 0 0 192.222 1.095 10 0 ADAERN CN[C@@H](C)c1ncc([C@@H]2CCCO2)o1 83556152 573550725 /nfs/dbraw/zinc/55/07/25/573550725.db2.gz LUZIRZVPNIJPSB-YUMQZZPRSA-N 0 0 196.250 1.807 10 0 ADAERN Cc1cc(C2CC2)c(N)nn1 95627725 573550736 /nfs/dbraw/zinc/55/07/36/573550736.db2.gz HBXWXQDZEURWDE-UHFFFAOYSA-N 0 0 149.197 1.245 10 0 ADAERN COc1cccc2c1NC[C@](C)(O)C2 257825826 573550739 /nfs/dbraw/zinc/55/07/39/573550739.db2.gz HJGSGMHFXRGTTM-LLVKDONJSA-N 0 0 193.246 1.414 10 0 ADAERN COC(=O)[C@@H](N)CCCC1CCC1 259122130 573550740 /nfs/dbraw/zinc/55/07/40/573550740.db2.gz RWZOIAPKPPFFFH-VIFPVBQESA-N 0 0 185.267 1.457 10 0 ADAERN Cc1cc(F)c(N)cn1 95642676 573550746 /nfs/dbraw/zinc/55/07/46/573550746.db2.gz DRGAQARBUIYYTO-UHFFFAOYSA-N 0 0 126.134 1.111 10 0 ADAERN O=c1[nH]nc(C2CC2)cc1Cl 259503572 573550757 /nfs/dbraw/zinc/55/07/57/573550757.db2.gz REFAVODNMIUFSS-UHFFFAOYSA-N 0 0 170.599 1.713 10 0 ADAERN Cc1nccn1-c1cc(O)ccc1O 144546410 573550763 /nfs/dbraw/zinc/55/07/63/573550763.db2.gz XSWNVDUACVHDRW-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN CCCCC[C@H]1COCCN1N=O 33639521 573551051 /nfs/dbraw/zinc/55/10/51/573551051.db2.gz YMPPTRTVHVHEOC-VIFPVBQESA-N 0 0 186.255 1.949 10 0 ADAERN COCCNCc1ncc(C(C)C)o1 83555943 573550772 /nfs/dbraw/zinc/55/07/72/573550772.db2.gz PRFWZHXLJDLPBR-UHFFFAOYSA-N 0 0 198.266 1.534 10 0 ADAERN CC(C)C[C@H]1C[C@@H](CC(=O)[O-])CC[NH2+]1 82383591 573550782 /nfs/dbraw/zinc/55/07/82/573550782.db2.gz JZUQECLETVPTEE-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](CO)[C@@H]1C(=O)CCC[C@@H]1C 238437986 573550789 /nfs/dbraw/zinc/55/07/89/573550789.db2.gz OPQVUCSDGOCLCO-QXFUBDJGSA-N 0 0 170.252 1.620 10 0 ADAERN COc1c(O)cnc(C(F)F)c1N 238438138 573550809 /nfs/dbraw/zinc/55/08/09/573550809.db2.gz RKTHNKRHDKTEFN-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COc1nc(-c2cccnc2)c[nH]1 259120411 573550830 /nfs/dbraw/zinc/55/08/30/573550830.db2.gz PVZWDGPWSCYALA-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN CCOC(=O)C[C@H]1CCCO[C@@H]1C 259502058 573551772 /nfs/dbraw/zinc/55/17/72/573551772.db2.gz AUVQWBACORGHJM-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN C[C@@]12CCC[C@@H]1CC(=O)CC2=O 238437812 573550857 /nfs/dbraw/zinc/55/08/57/573550857.db2.gz YDQSMODUSIYQCC-GMSGAONNSA-N 0 0 166.220 1.725 10 0 ADAERN COC(=O)[C@@H]1C[C@]12CCCC[C@@H]2O 257826027 573550880 /nfs/dbraw/zinc/55/08/80/573550880.db2.gz HJTQAUYDXDVFRL-OYNCUSHFSA-N 0 0 184.235 1.101 10 0 ADAERN COc1c(O)cnc(C(F)F)c1F 238438093 573550892 /nfs/dbraw/zinc/55/08/92/573550892.db2.gz OAXBXVKBRNXJNA-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN C[C@@H]1C[C@@H]1/C=C/CO 238437296 573550913 /nfs/dbraw/zinc/55/09/13/573550913.db2.gz LJWLTEMXHPYEAV-DIZYNNQWSA-N 0 0 112.172 1.191 10 0 ADAERN C=C/C(Cl)=C\[C@H](C)CO 238438298 573550927 /nfs/dbraw/zinc/55/09/27/573550927.db2.gz RNECFPDMQDGRJF-PDKRUMACSA-N 0 0 146.617 1.924 10 0 ADAERN C[C@@H]1CCN1c1ccccc1N 86662882 573550932 /nfs/dbraw/zinc/55/09/32/573550932.db2.gz XSUIUYZESRZNJN-MRVPVSSYSA-N 0 0 162.236 1.867 10 0 ADAERN C[C@H](N)c1ncc([C@H]2CCCO2)o1 83554679 573550940 /nfs/dbraw/zinc/55/09/40/573550940.db2.gz NVUMKRUDGLYYOO-NKWVEPMBSA-N 0 0 182.223 1.546 10 0 ADAERN CC[C@@H](C)N1Cc2cncnc2C1 585331995 573550943 /nfs/dbraw/zinc/55/09/43/573550943.db2.gz AHEICNUFEZBQDB-MRVPVSSYSA-N 0 0 177.251 1.591 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH3+])C1CCC1 259505661 573550955 /nfs/dbraw/zinc/55/09/55/573550955.db2.gz RECVPUDSHSTPCO-YUMQZZPRSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]1C(=O)[C@]2(C)CCC(=O)[C@H]1C2 238437198 573550970 /nfs/dbraw/zinc/55/09/70/573550970.db2.gz MWJHCINUNPJEIP-MHYGZLNHSA-N 0 0 166.220 1.581 10 0 ADAERN C[N@@H+](C1CC1)[C@H](C(=O)[O-])C1CCC1 259111736 573550987 /nfs/dbraw/zinc/55/09/87/573550987.db2.gz QYMROGHUKWYJKU-VIFPVBQESA-N 0 0 183.251 1.334 10 0 ADAERN COC(=O)[C@@H]1C[C@@]12CCCC[C@H]2O 257826029 573550999 /nfs/dbraw/zinc/55/09/99/573550999.db2.gz HJTQAUYDXDVFRL-XKSSXDPKSA-N 0 0 184.235 1.101 10 0 ADAERN C[C@H](N)c1ncc(C[C@@H]2CCCO2)o1 83554709 573551040 /nfs/dbraw/zinc/55/10/40/573551040.db2.gz REOODDOPCZZBMB-YUMQZZPRSA-N 0 0 196.250 1.416 10 0 ADAERN C[C@@H]1[C@@H]2CC=C[C@@H]2[C@@]1(C[NH3+])CC(=O)[O-] 238437340 573551059 /nfs/dbraw/zinc/55/10/59/573551059.db2.gz DFNRNOGPHGIGSR-UYAYMFIHSA-N 0 0 195.262 1.248 10 0 ADAERN CC(=O)O/C=C\[C@H](O)c1ccccc1 308629111 573551071 /nfs/dbraw/zinc/55/10/71/573551071.db2.gz REPJCMWNOXHNLT-TVRMLOFPSA-N 0 0 192.214 1.797 10 0 ADAERN COc1cccc2c1NC[C@@](C)(O)C2 257825827 573551074 /nfs/dbraw/zinc/55/10/74/573551074.db2.gz HJGSGMHFXRGTTM-NSHDSACASA-N 0 0 193.246 1.414 10 0 ADAERN C[C@H](CO)[C@H]1CCCC(=O)C1 238437597 573551089 /nfs/dbraw/zinc/55/10/89/573551089.db2.gz PRTLMKVUGRHUJX-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN CCn1nc(C=O)c2c1CCCC2 257826009 573551093 /nfs/dbraw/zinc/55/10/93/573551093.db2.gz HIXJDOBFNYNQGM-UHFFFAOYSA-N 0 0 178.235 1.594 10 0 ADAERN CC[C@H](CO)C(=O)C1CCC1 259121228 573551122 /nfs/dbraw/zinc/55/11/22/573551122.db2.gz LTRFQDWPGWOSAZ-SSDOTTSWSA-N 0 0 156.225 1.374 10 0 ADAERN CCc1nnc2n1CCC[C@@H]2C 258063197 573551139 /nfs/dbraw/zinc/55/11/39/573551139.db2.gz ASZFMRFLMLJREF-ZETCQYMHSA-N 0 0 165.240 1.738 10 0 ADAERN C[C@H]([NH3+])c1nccc2c(N)cccc12 238437127 573551170 /nfs/dbraw/zinc/55/11/70/573551170.db2.gz OKUFHSNIVILITE-ZETCQYMHSA-N 0 0 187.246 1.837 10 0 ADAERN C[C@@H](N)c1ncc(-c2ccco2)o1 83554692 573551171 /nfs/dbraw/zinc/55/11/71/573551171.db2.gz USKBWBMPVGSGSX-ZCFIWIBFSA-N 0 0 178.191 1.954 10 0 ADAERN Cc1ccc([C@@H]2NCC[C@H](C)N2)cc1 238438203 573551197 /nfs/dbraw/zinc/55/11/97/573551197.db2.gz KCUVJOHDFBYLOS-CMPLNLGQSA-N 0 0 190.290 1.965 10 0 ADAERN Cc1ccccc1[C@H]1CONC(=O)O1 257825834 573551198 /nfs/dbraw/zinc/55/11/98/573551198.db2.gz HJLLDNIRWAUADI-SECBINFHSA-N 0 0 193.202 1.708 10 0 ADAERN CC(C)C[N@@H+]1CC[C@@](C)(CC(=O)[O-])C1 259503150 573551212 /nfs/dbraw/zinc/55/12/12/573551212.db2.gz TVJUXZQUHKPWCY-NSHDSACASA-N 0 0 199.294 1.829 10 0 ADAERN C[C@@H](/C=C/CO)C1(O)CCCCC1 238438101 573551238 /nfs/dbraw/zinc/55/12/38/573551238.db2.gz KIEAIEBBEWHCCI-PORFMDCZSA-N 0 0 184.279 1.866 10 0 ADAERN CNCc1ncc(CC2CC2)o1 83555091 573551242 /nfs/dbraw/zinc/55/12/42/573551242.db2.gz DSFLBVHFEUVKES-UHFFFAOYSA-N 0 0 166.224 1.347 10 0 ADAERN C[C@H]1C[C@H](C)c2[nH]c(=O)ccc21 238436799 573551245 /nfs/dbraw/zinc/55/12/45/573551245.db2.gz XUPQJCFEZYQZNM-BQBZGAKWSA-N 0 0 163.220 1.986 10 0 ADAERN CC[N@H+]([C@H](C)CC(=O)[O-])[C@@H]1CC[C@H]1C 308629877 573551274 /nfs/dbraw/zinc/55/12/74/573551274.db2.gz YNRQOVMUEVUWFP-OPRDCNLKSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H](N)c1ncc(CC(F)(F)F)o1 83554624 573551309 /nfs/dbraw/zinc/55/13/09/573551309.db2.gz OLALWHZYAITKFL-SCSAIBSYSA-N 0 0 194.156 1.799 10 0 ADAERN OCc1n[nH]cc1-c1ccc(O)cc1 257826078 573551323 /nfs/dbraw/zinc/55/13/23/573551323.db2.gz GXGRJVNVAUZXGJ-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN Nc1nncc(C2CCSCC2)n1 257826276 573551346 /nfs/dbraw/zinc/55/13/46/573551346.db2.gz HNKKQZQIQUJUOR-UHFFFAOYSA-N 0 0 196.279 1.064 10 0 ADAERN CCOC(=O)/C=C1\CCC=C1CCO 308628608 573551361 /nfs/dbraw/zinc/55/13/61/573551361.db2.gz QJJXVTBQOUVJEE-CSKARUKUSA-N 0 0 196.246 1.579 10 0 ADAERN CCC[C@@H]([NH3+])[C@@H](C(=O)[O-])C(C)C 259504048 573551375 /nfs/dbraw/zinc/55/13/75/573551375.db2.gz RBVBVLPQZYBDNQ-SFYZADRCSA-N 0 0 173.256 1.471 10 0 ADAERN C[C@@H]1C(=O)[C@H](C)[C@H]2C[C@@H]12 238436884 573551388 /nfs/dbraw/zinc/55/13/88/573551388.db2.gz BVOUAVDAAXLMBW-UMRXKNAASA-N 0 0 124.183 1.477 10 0 ADAERN CC(C)CN1Cc2cncnc2C1 585332045 573551404 /nfs/dbraw/zinc/55/14/04/573551404.db2.gz CYBIYVGXJLZWKS-UHFFFAOYSA-N 0 0 177.251 1.448 10 0 ADAERN O[C@@H]1CC[C@H](Oc2ccncc2)C1 259501707 573551422 /nfs/dbraw/zinc/55/14/22/573551422.db2.gz JKHKTMUAXMZAOQ-SCZZXKLOSA-N 0 0 179.219 1.374 10 0 ADAERN C[C@@H]1CC(=O)[C@H]([C@@H](C)O)[C@@H](C)C1 238438053 573551423 /nfs/dbraw/zinc/55/14/23/573551423.db2.gz WQLVWXBPJIAVIA-OORONAJNSA-N 0 0 170.252 1.619 10 0 ADAERN CNCc1ncc([C@H]2CCCCO2)o1 83555096 573551469 /nfs/dbraw/zinc/55/14/69/573551469.db2.gz XOZDBUFQPSEESR-MRVPVSSYSA-N 0 0 196.250 1.636 10 0 ADAERN C/C=C\[C@H](O)c1ccc(CCCO)o1 308628694 573551495 /nfs/dbraw/zinc/55/14/95/573551495.db2.gz QWGVAHRSCVGSIH-GQPNGRKGSA-N 0 0 196.246 1.814 10 0 ADAERN CC[N@H+]([C@H](C)CC(=O)[O-])[C@@H]1CC[C@@H]1C 308629875 573551512 /nfs/dbraw/zinc/55/15/12/573551512.db2.gz YNRQOVMUEVUWFP-IVZWLZJFSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)N2)ccc1F 95690561 573551547 /nfs/dbraw/zinc/55/15/47/573551547.db2.gz VTHATESSVYVBSZ-VIFPVBQESA-N 0 0 194.209 1.488 10 0 ADAERN Cc1c(O)cc2c(c1O)[C@@H](C)C(=O)O2 238437401 573551552 /nfs/dbraw/zinc/55/15/52/573551552.db2.gz ICAMFVGOZQHTIW-RXMQYKEDSA-N 0 0 194.186 1.429 10 0 ADAERN C[C@@]12CCC[C@@H](O1)C(=O)CC2 238437102 573551557 /nfs/dbraw/zinc/55/15/57/573551557.db2.gz BMCMPTXDBSYXAY-BDAKNGLRSA-N 0 0 154.209 1.677 10 0 ADAERN CCCCC[C@H](NN)c1ccnn1C 130361330 573551560 /nfs/dbraw/zinc/55/15/60/573551560.db2.gz NTHFXYVOVSNORT-VIFPVBQESA-N 0 0 196.298 1.505 10 0 ADAERN C[C@H](N)c1ncc([C@H]2CCCCO2)o1 83554551 573551602 /nfs/dbraw/zinc/55/16/02/573551602.db2.gz JCDOQZVOKKGTRM-JGVFFNPUSA-N 0 0 196.250 1.936 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CO 238437200 573551603 /nfs/dbraw/zinc/55/16/03/573551603.db2.gz DLJJWKTXIFLUMX-OOJXKGFFSA-N 0 0 126.199 1.271 10 0 ADAERN COc1cccc(CCOCCO)c1 78493988 573551615 /nfs/dbraw/zinc/55/16/15/573551615.db2.gz JORJKIGNTQCLGO-UHFFFAOYSA-N 0 0 196.246 1.247 10 0 ADAERN C[C@@H]1COc2ccccc2O1 59103757 573551624 /nfs/dbraw/zinc/55/16/24/573551624.db2.gz MJCYUVOCINOVJH-SSDOTTSWSA-N 0 0 150.177 1.846 10 0 ADAERN O=C1NOC[C@@H](c2ccc(O)cc2)O1 257825779 573551643 /nfs/dbraw/zinc/55/16/43/573551643.db2.gz HHNUGTVCTWZXAB-QMMMGPOBSA-N 0 0 195.174 1.105 10 0 ADAERN C[C@H]1CCN2C(=O)CCC[C@H]2C1 238437715 573551647 /nfs/dbraw/zinc/55/16/47/573551647.db2.gz WQUHBTKLZMFPPU-IUCAKERBSA-N 0 0 167.252 1.797 10 0 ADAERN CNCc1ncc([C@H]2CCCOC2)o1 83555279 573551648 /nfs/dbraw/zinc/55/16/48/573551648.db2.gz JKSOZGYTGBTPGL-QMMMGPOBSA-N 0 0 196.250 1.288 10 0 ADAERN C[C@H]1CCN(c2ccccc2)[C@@H]1CO 238437356 573551724 /nfs/dbraw/zinc/55/17/24/573551724.db2.gz CLSNVWMNERMZBZ-CMPLNLGQSA-N 0 0 191.274 1.894 10 0 ADAERN C[C@@]12CCC[C@@H]([C@@H]1O)[C@](C)(C(N)=O)C2 238437471 573551670 /nfs/dbraw/zinc/55/16/70/573551670.db2.gz OKORWIGTQOYNSN-MPKXCIJOSA-N 0 0 197.278 1.049 10 0 ADAERN CNc1ccc2c(c1)OCC(=O)N2C 259502137 573551675 /nfs/dbraw/zinc/55/16/75/573551675.db2.gz OBGCZLPMMDXBSX-UHFFFAOYSA-N 0 0 192.218 1.084 10 0 ADAERN CO[C@H](CNc1cnn(C)c1)C(C)C 310345904 573551693 /nfs/dbraw/zinc/55/16/93/573551693.db2.gz PGGUUNYGLKIMBE-SNVBAGLBSA-N 0 0 197.282 1.503 10 0 ADAERN CNCC(F)(F)C[C@H]1CCCCO1 257825760 573551812 /nfs/dbraw/zinc/55/18/12/573551812.db2.gz HHGVGSMTXPYQEO-MRVPVSSYSA-N 0 0 193.237 1.800 10 0 ADAERN C[C@@H]1CCC(C)(C)NC(=O)C1 238437067 573551819 /nfs/dbraw/zinc/55/18/19/573551819.db2.gz SJSQDYWMQXDAOR-SSDOTTSWSA-N 0 0 155.241 1.701 10 0 ADAERN C/C=C\[C@@H](O)c1ccc(CCCO)o1 308628695 573551821 /nfs/dbraw/zinc/55/18/21/573551821.db2.gz QWGVAHRSCVGSIH-WUWIAWFRSA-N 0 0 196.246 1.814 10 0 ADAERN CC(=O)c1nc(-c2ccc[nH]2)c[nH]1 259120399 573551826 /nfs/dbraw/zinc/55/18/26/573551826.db2.gz PVNVBSMNLXREHH-UHFFFAOYSA-N 0 0 175.191 1.607 10 0 ADAERN CC(C)(C[C@@H]([NH3+])c1ccc[nH]1)C(=O)[O-] 259120156 573551839 /nfs/dbraw/zinc/55/18/39/573551839.db2.gz BWRFDVZQCIGFEM-SSDOTTSWSA-N 0 0 196.250 1.515 10 0 ADAERN CSc1nc(N)cc(CF)n1 238438028 573551871 /nfs/dbraw/zinc/55/18/71/573551871.db2.gz PWWSMESFOOZATN-UHFFFAOYSA-N 0 0 173.216 1.250 10 0 ADAERN OCC1(Cc2ccc(F)cc2)COC1 259503889 573551872 /nfs/dbraw/zinc/55/18/72/573551872.db2.gz URWSSASIBKFQHJ-UHFFFAOYSA-N 0 0 196.221 1.377 10 0 ADAERN CCOC(=O)C[C@@H]1CCCO[C@H]1C 259502055 573551877 /nfs/dbraw/zinc/55/18/77/573551877.db2.gz AUVQWBACORGHJM-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN CCC[C@@H]([NH3+])[C@H](C(=O)[O-])C(C)C 259504043 573551884 /nfs/dbraw/zinc/55/18/84/573551884.db2.gz RBVBVLPQZYBDNQ-HTQZYQBOSA-N 0 0 173.256 1.471 10 0 ADAERN CC(=O)[C@@H](C)/C=C(/C)CO 238437710 573551902 /nfs/dbraw/zinc/55/19/02/573551902.db2.gz SLSXNNYEYLPVIW-NGAMADIESA-N 0 0 142.198 1.150 10 0 ADAERN C[C@@H](/C=C/CO)C1(O)CCCC1 238438090 573551918 /nfs/dbraw/zinc/55/19/18/573551918.db2.gz MSTVMEJXTLLROB-MOVJSRMASA-N 0 0 170.252 1.476 10 0 ADAERN ClC1(c2ccccn2)COC1 258771064 573551947 /nfs/dbraw/zinc/55/19/47/573551947.db2.gz TWISRQQPWHFAFK-UHFFFAOYSA-N 0 0 169.611 1.546 10 0 ADAERN CCN1C[C@@H](CON)c2ccccc21 258063323 573551961 /nfs/dbraw/zinc/55/19/61/573551961.db2.gz GIKXBJDXDCKFPG-VIFPVBQESA-N 0 0 192.262 1.500 10 0 ADAERN CC1CC[NH+]([C@@H]2C[C@@H]2C(=O)[O-])CC1 259120970 573551988 /nfs/dbraw/zinc/55/19/88/573551988.db2.gz BXGRMPDMRGLPNN-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN CCc1cnc([C@H](C)N)o1 83554649 573552011 /nfs/dbraw/zinc/55/20/11/573552011.db2.gz VRWSKHQJRYYHQR-YFKPBYRVSA-N 0 0 140.186 1.257 10 0 ADAERN Cc1ncc(-c2ccncc2C=O)cn1 82383987 573552290 /nfs/dbraw/zinc/55/22/90/573552290.db2.gz VUAYFFNKGZEZBH-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN C[C@@H](N)c1ncc(C2CCC2)o1 83554698 573554618 /nfs/dbraw/zinc/55/46/18/573554618.db2.gz WBWCZYVFSSZUQS-ZCFIWIBFSA-N 0 0 166.224 1.962 10 0 ADAERN C/C=C/CN[C@@H](C(=O)OCC)C(C)C 308628021 573552018 /nfs/dbraw/zinc/55/20/18/573552018.db2.gz XQZKMSWIDQWPJP-BREXMAIKSA-N 0 0 199.294 1.740 10 0 ADAERN COC(=O)C(C)(C)C(=O)c1cc[nH]c1 259119979 573552030 /nfs/dbraw/zinc/55/20/30/573552030.db2.gz IROCFEBEXKGJNZ-UHFFFAOYSA-N 0 0 195.218 1.397 10 0 ADAERN CCCCC[C@H](O)[C@H](O)CF 214656767 573552034 /nfs/dbraw/zinc/55/20/34/573552034.db2.gz PWZQRGQZPXOMJR-JGVFFNPUSA-N 0 0 164.220 1.258 10 0 ADAERN C[C@H](N)c1ncc(-c2ccco2)o1 83554691 573552036 /nfs/dbraw/zinc/55/20/36/573552036.db2.gz USKBWBMPVGSGSX-LURJTMIESA-N 0 0 178.191 1.954 10 0 ADAERN C[C@@H](N)c1ncc(-c2ccoc2)o1 83554622 573552062 /nfs/dbraw/zinc/55/20/62/573552062.db2.gz IWBMRLOFWXDRQA-ZCFIWIBFSA-N 0 0 178.191 1.954 10 0 ADAERN NNCc1ccc(C(F)F)cc1 124612540 573552064 /nfs/dbraw/zinc/55/20/64/573552064.db2.gz ADQVECIPVGTLTJ-UHFFFAOYSA-N 0 0 172.178 1.588 10 0 ADAERN Cc1ncncc1-c1ncccc1C=O 82383982 573552072 /nfs/dbraw/zinc/55/20/72/573552072.db2.gz LPQUEOQSMCRUNS-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN CNCc1ncc([C@H]2CCCO2)o1 83555220 573552074 /nfs/dbraw/zinc/55/20/74/573552074.db2.gz VWGABVVIZUYGJT-SSDOTTSWSA-N 0 0 182.223 1.246 10 0 ADAERN CCC/C=C\CC(=O)OC 166405803 573552119 /nfs/dbraw/zinc/55/21/19/573552119.db2.gz MELNJTLUIHVCHX-WAYWQWQTSA-N 0 0 142.198 1.906 10 0 ADAERN CC[C@@H](CO)C(=O)C1CCC1 259121234 573552133 /nfs/dbraw/zinc/55/21/33/573552133.db2.gz LTRFQDWPGWOSAZ-ZETCQYMHSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1ccc([N+](=O)[O-])c([C@H](C)[NH3+])c1[O-] 95713908 573552142 /nfs/dbraw/zinc/55/21/42/573552142.db2.gz VSOFLFORUDIAQQ-LURJTMIESA-N 0 0 196.206 1.629 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]([NH3+])C1CCC1 259505660 573552153 /nfs/dbraw/zinc/55/21/53/573552153.db2.gz RECVPUDSHSTPCO-SFYZADRCSA-N 0 0 171.240 1.225 10 0 ADAERN CCCC1(c2nc(CNC)no2)CC1 308630190 573552159 /nfs/dbraw/zinc/55/21/59/573552159.db2.gz YNZQRMBKGGBEOV-UHFFFAOYSA-N 0 0 195.266 1.621 10 0 ADAERN C[C@H]1CC[C@H](C)C12OCCO2 238437190 573552165 /nfs/dbraw/zinc/55/21/65/573552165.db2.gz QOQHXFUITADTLL-YUMQZZPRSA-N 0 0 156.225 1.796 10 0 ADAERN CN[C@H](C)c1ncc([C@H]2CCCO2)o1 83556158 573552284 /nfs/dbraw/zinc/55/22/84/573552284.db2.gz LUZIRZVPNIJPSB-HTQZYQBOSA-N 0 0 196.250 1.807 10 0 ADAERN O=C1CCC=CC=CCC[C@@H](O)CO1 308628367 573552296 /nfs/dbraw/zinc/55/22/96/573552296.db2.gz QHCSXZIVWRCDKD-SNVBAGLBSA-N 0 0 196.246 1.577 10 0 ADAERN C[C@]12CO[C@]13CCC(=O)[C@@H]3C2 238437204 573552308 /nfs/dbraw/zinc/55/23/08/573552308.db2.gz ULRMPOWFHNQAMG-XVYDVKMFSA-N 0 0 152.193 1.145 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]([NH3+])c1cccs1 259503913 573552312 /nfs/dbraw/zinc/55/23/12/573552312.db2.gz USISUVFSHKHLCV-RCOVLWMOSA-N 0 0 199.275 1.859 10 0 ADAERN C[C@@H](O)CC(=O)C[C@@H]1[C@H]2C=C[C@@H]1CC2 308627904 573552341 /nfs/dbraw/zinc/55/23/41/573552341.db2.gz PMAWUGKYPPQHGH-SVDPJWKOSA-N 0 0 194.274 1.929 10 0 ADAERN CO[C@@H](C)CNc1cccc(N)c1 223670212 573552349 /nfs/dbraw/zinc/55/23/49/573552349.db2.gz DXZPVMNDFKUHFS-QMMMGPOBSA-N 0 0 180.251 1.716 10 0 ADAERN CNC(=O)c1cc(C(C)C)ccc1O 95712086 573552362 /nfs/dbraw/zinc/55/23/62/573552362.db2.gz SAVYTIXRGIINIJ-UHFFFAOYSA-N 0 0 193.246 1.875 10 0 ADAERN COCc1cnc(Br)o1 258060548 573554628 /nfs/dbraw/zinc/55/46/28/573554628.db2.gz GGUDPKMQOCAEIC-UHFFFAOYSA-N 0 0 192.012 1.584 10 0 ADAERN CCCCCc1c(N)nc(C)[nH]c1=O 33639361 573552376 /nfs/dbraw/zinc/55/23/76/573552376.db2.gz KEFKNRXOLRNLKI-UHFFFAOYSA-N 0 0 195.266 1.393 10 0 ADAERN CC1CN(c2cc(N)ccc2F)C1 86662894 573552380 /nfs/dbraw/zinc/55/23/80/573552380.db2.gz MZPMVYRKUQSZKF-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN C[C@H](N)c1ncc([C@@H]2CCCOC2)o1 83554739 573552381 /nfs/dbraw/zinc/55/23/81/573552381.db2.gz PMNQGXUSULQLAJ-JGVFFNPUSA-N 0 0 196.250 1.588 10 0 ADAERN C[C@H](CO)[C@H](O)C=C1CCCCC1 238437235 573552390 /nfs/dbraw/zinc/55/23/90/573552390.db2.gz PHLXWALZTIJQCI-MWLCHTKSSA-N 0 0 184.279 1.866 10 0 ADAERN CCc1cc(N)ns1 107395872 573552397 /nfs/dbraw/zinc/55/23/97/573552397.db2.gz VMYBWWXGBCPHQP-UHFFFAOYSA-N 0 0 128.200 1.288 10 0 ADAERN CC1CC[NH+]([C@H]2C[C@H]2C(=O)[O-])CC1 259120962 573552404 /nfs/dbraw/zinc/55/24/04/573552404.db2.gz BXGRMPDMRGLPNN-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN C/C=C\CN[C@@H](C(=O)OCC)C(C)C 308628023 573552417 /nfs/dbraw/zinc/55/24/17/573552417.db2.gz XQZKMSWIDQWPJP-ONRRBMGISA-N 0 0 199.294 1.740 10 0 ADAERN C[C@H](N)c1ncc(-c2cnn(C)c2)o1 83554701 573552431 /nfs/dbraw/zinc/55/24/31/573552431.db2.gz GCJIBZWZCISLRI-LURJTMIESA-N 0 0 192.222 1.095 10 0 ADAERN C[C@@H]1C(=O)[C@@H](C)[C@@H]2C[C@H]12 238436898 573552441 /nfs/dbraw/zinc/55/24/41/573552441.db2.gz BVOUAVDAAXLMBW-ZTYPAOSTSA-N 0 0 124.183 1.477 10 0 ADAERN COc1ccc([C@H](O)/C=C\CO)cc1 308629950 573552442 /nfs/dbraw/zinc/55/24/42/573552442.db2.gz SIFPXDPOKAJHFQ-OTDNITJGSA-N 0 0 194.230 1.277 10 0 ADAERN C[C@@]12CCC[C@@H](O1)C(=O)C2 238437076 573552452 /nfs/dbraw/zinc/55/24/52/573552452.db2.gz HBTPVMDNHWXHMP-SFYZADRCSA-N 0 0 140.182 1.287 10 0 ADAERN CCCCC[C@@H](NN)c1ccnn1C 130361551 573552456 /nfs/dbraw/zinc/55/24/56/573552456.db2.gz NTHFXYVOVSNORT-SECBINFHSA-N 0 0 196.298 1.505 10 0 ADAERN COc1c(O)cccc1[C@H]([NH3+])C1CC1 238436866 573552457 /nfs/dbraw/zinc/55/24/57/573552457.db2.gz SZDQSIPTOWILDQ-SNVBAGLBSA-N 0 0 193.246 1.811 10 0 ADAERN CC[C@H](CO)CN(C)c1ccc[nH]1 259121254 573552458 /nfs/dbraw/zinc/55/24/58/573552458.db2.gz YKMBQXOZVSXNJW-VIFPVBQESA-N 0 0 182.267 1.469 10 0 ADAERN O=C1C[C@H](c2ccccc2F)CO1 257826449 573552489 /nfs/dbraw/zinc/55/24/89/573552489.db2.gz HMMJRZNURZJYJS-ZETCQYMHSA-N 0 0 180.178 1.856 10 0 ADAERN CNCc1ncc([C@@H]2C[C@H]2C)o1 83555132 573552496 /nfs/dbraw/zinc/55/24/96/573552496.db2.gz XHFZJBFLQPJVQE-RNFRBKRXSA-N 0 0 166.224 1.517 10 0 ADAERN C[C@@H](N)c1ncc(CC2CC2)o1 83554546 573552530 /nfs/dbraw/zinc/55/25/30/573552530.db2.gz NWCCSXZPZIYXCX-ZCFIWIBFSA-N 0 0 166.224 1.647 10 0 ADAERN Cc1cccc(F)c1[C@H]1C[NH2+]CCN1 95691958 573552575 /nfs/dbraw/zinc/55/25/75/573552575.db2.gz YXYJPZFZGRDLIB-SNVBAGLBSA-N 0 0 194.253 1.368 10 0 ADAERN CC[C@@H](CO)c1nc(C)cs1 259121845 573552581 /nfs/dbraw/zinc/55/25/81/573552581.db2.gz GKVOENAAPLWODQ-ZETCQYMHSA-N 0 0 171.265 1.937 10 0 ADAERN CC(C)(C)[C@H](F)CON 259121743 573552595 /nfs/dbraw/zinc/55/25/95/573552595.db2.gz FSMLTFLBJNBTTO-RXMQYKEDSA-N 0 0 135.182 1.261 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]([NH3+])c1cccs1 259503907 573552604 /nfs/dbraw/zinc/55/26/04/573552604.db2.gz USISUVFSHKHLCV-HZGVNTEJSA-N 0 0 199.275 1.859 10 0 ADAERN CC1CC[NH+]([C@H]2C[C@@H]2C(=O)[O-])CC1 259120976 573552621 /nfs/dbraw/zinc/55/26/21/573552621.db2.gz BXGRMPDMRGLPNN-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN O=C1C[C@@H](c2ccccc2F)CO1 257826448 573552634 /nfs/dbraw/zinc/55/26/34/573552634.db2.gz HMMJRZNURZJYJS-SSDOTTSWSA-N 0 0 180.178 1.856 10 0 ADAERN C[C@H](N)c1ncc([C@@H]2CCCO2)o1 83554677 573553530 /nfs/dbraw/zinc/55/35/30/573553530.db2.gz NVUMKRUDGLYYOO-BQBZGAKWSA-N 0 0 182.223 1.546 10 0 ADAERN CNCc1ncc(C2CCOCC2)o1 83555159 573552716 /nfs/dbraw/zinc/55/27/16/573552716.db2.gz WSODNEMUPPMSEB-UHFFFAOYSA-N 0 0 196.250 1.288 10 0 ADAERN C[C@H](C(N)=O)[C@H]1CCc2ccccc21 238436794 573552733 /nfs/dbraw/zinc/55/27/33/573552733.db2.gz REOWSDLVBSYZOL-WCBMZHEXSA-N 0 0 189.258 1.838 10 0 ADAERN CC(C)n1[nH]c(=O)c2c1COCC2 257830252 573552745 /nfs/dbraw/zinc/55/27/45/573552745.db2.gz JEPQIQDTZRKVHX-UHFFFAOYSA-N 0 0 182.223 1.242 10 0 ADAERN CC1CN(c2ccccc2N)C1 86662880 573552751 /nfs/dbraw/zinc/55/27/51/573552751.db2.gz CFIHAQLSCLABTA-UHFFFAOYSA-N 0 0 162.236 1.725 10 0 ADAERN C[C@@H]1C=C[C@@H](CC(N)=O)C[C@@H]1C 238437581 573552756 /nfs/dbraw/zinc/55/27/56/573552756.db2.gz NTNJFPUTFKWVOB-HRDYMLBCSA-N 0 0 167.252 1.710 10 0 ADAERN C[C@@H](C[C@H]([NH3+])C1CCCC1)C(=O)[O-] 259502256 573552781 /nfs/dbraw/zinc/55/27/81/573552781.db2.gz UNNBQPNQOLJYSD-CBAPKCEASA-N 0 0 185.267 1.615 10 0 ADAERN COc1ccc([C@@H](O)/C=C\CO)cc1 308629951 573552795 /nfs/dbraw/zinc/55/27/95/573552795.db2.gz SIFPXDPOKAJHFQ-QUCGXOGASA-N 0 0 194.230 1.277 10 0 ADAERN C/C=C\CN[C@H](C(=O)OCC)C(C)C 308628022 573552799 /nfs/dbraw/zinc/55/27/99/573552799.db2.gz XQZKMSWIDQWPJP-BXKUYDPTSA-N 0 0 199.294 1.740 10 0 ADAERN C[C@H](N)c1ncc(CC2CC2)o1 83554545 573552802 /nfs/dbraw/zinc/55/28/02/573552802.db2.gz NWCCSXZPZIYXCX-LURJTMIESA-N 0 0 166.224 1.647 10 0 ADAERN CCCCC[C@@H](COC(C)C)NN 130353817 573552883 /nfs/dbraw/zinc/55/28/83/573552883.db2.gz VPPPDUJWVJMCCX-JTQLQIEISA-N 0 0 188.315 1.824 10 0 ADAERN CO[C@@H](C)CNc1ccc(N)nc1 223670478 573552929 /nfs/dbraw/zinc/55/29/29/573552929.db2.gz OIFSQZUBGRCUBK-ZETCQYMHSA-N 0 0 181.239 1.111 10 0 ADAERN Cc1ccc2c(c1O)OC(=O)[C@@H]2C 238437351 573552959 /nfs/dbraw/zinc/55/29/59/573552959.db2.gz BWIJVKZBEHEFMJ-ZCFIWIBFSA-N 0 0 178.187 1.723 10 0 ADAERN C[C@H]1C(=O)O[C@@H](O)C1(C1CC1)C1CC1 238437168 573552976 /nfs/dbraw/zinc/55/29/76/573552976.db2.gz NDMYWHFWDITRPD-QUBYGPBYSA-N 0 0 196.246 1.304 10 0 ADAERN CNC(=O)c1cc(C)cc(O)c1 95712088 573553016 /nfs/dbraw/zinc/55/30/16/573553016.db2.gz FAHIYJJZKMHDPQ-UHFFFAOYSA-N 0 0 165.192 1.060 10 0 ADAERN CO[C@@](C)(CO)Cc1ccccc1C 257830203 573553018 /nfs/dbraw/zinc/55/30/18/573553018.db2.gz IYNOERWSDFNWKG-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN C[C@@]12CCC[C@@H]([C@@H]1O)[C@@](C)(C(N)=O)C2 238437453 573553019 /nfs/dbraw/zinc/55/30/19/573553019.db2.gz OKORWIGTQOYNSN-UUTMEEIUSA-N 0 0 197.278 1.049 10 0 ADAERN CCCCC[C@@H](O)[C@H](O)CF 214656821 573553040 /nfs/dbraw/zinc/55/30/40/573553040.db2.gz PWZQRGQZPXOMJR-HTQZYQBOSA-N 0 0 164.220 1.258 10 0 ADAERN Cc1ccc([C@H](C)[NH3+])c([O-])c1[N+](=O)[O-] 95713805 573553048 /nfs/dbraw/zinc/55/30/48/573553048.db2.gz ZEACTPZRCHIZHQ-LURJTMIESA-N 0 0 196.206 1.629 10 0 ADAERN [NH3+]C[C@@](C(=O)[O-])(C(F)F)C1CCC1 257830109 573553050 /nfs/dbraw/zinc/55/30/50/573553050.db2.gz IWEDNQPVXMISNU-QMMMGPOBSA-N 0 0 193.193 1.081 10 0 ADAERN COc1c(O)cnc(C(F)F)c1O 238438181 573553052 /nfs/dbraw/zinc/55/30/52/573553052.db2.gz ISLRPKYRAQIMGV-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN COC(=O)Nc1ccc[nH]1 258775420 573553062 /nfs/dbraw/zinc/55/30/62/573553062.db2.gz MQLFSZHNSUTMCT-UHFFFAOYSA-N 0 0 140.142 1.193 10 0 ADAERN COC[C@H](Nc1nnc(C)o1)C(C)C 308628703 573553091 /nfs/dbraw/zinc/55/30/91/573553091.db2.gz YAASVNJKBORMTO-QMMMGPOBSA-N 0 0 199.254 1.461 10 0 ADAERN CCOc1ncnc(OC(C)C)c1N 40795649 573553096 /nfs/dbraw/zinc/55/30/96/573553096.db2.gz BZUCBHNCBLBMBU-UHFFFAOYSA-N 0 0 197.238 1.245 10 0 ADAERN CC[C@H](CO)c1nc(C)cs1 259121843 573553102 /nfs/dbraw/zinc/55/31/02/573553102.db2.gz GKVOENAAPLWODQ-SSDOTTSWSA-N 0 0 171.265 1.937 10 0 ADAERN C[C@H](N)c1ncc([C@H]2CCCOC2)o1 83554741 573553112 /nfs/dbraw/zinc/55/31/12/573553112.db2.gz PMNQGXUSULQLAJ-YUMQZZPRSA-N 0 0 196.250 1.588 10 0 ADAERN Cc1ccc(C)n1N[C@H]1COC[C@H]1C 687961112 573553141 /nfs/dbraw/zinc/55/31/41/573553141.db2.gz ANYCSIOVLLUZFY-KCJUWKMLSA-N 0 0 194.278 1.683 10 0 ADAERN CC[NH+](CC)C[C@H]1C[C@@H]1C(=O)[O-] 258771349 573553149 /nfs/dbraw/zinc/55/31/49/573553149.db2.gz YVJDNXVDTIOCQZ-SFYZADRCSA-N 0 0 171.240 1.049 10 0 ADAERN CC[C@H]([NH2+]C)[C@H](CC)C(=O)[O-] 259121796 573553157 /nfs/dbraw/zinc/55/31/57/573553157.db2.gz GKPNXHIPVPFODQ-BQBZGAKWSA-N 0 0 159.229 1.095 10 0 ADAERN Cc1cc(C=O)nc(C(F)F)n1 257826519 573553173 /nfs/dbraw/zinc/55/31/73/573553173.db2.gz HPAPZJFESMQDFF-UHFFFAOYSA-N 0 0 172.134 1.535 10 0 ADAERN C/C(Br)=C(/F)CO 223255947 573553185 /nfs/dbraw/zinc/55/31/85/573553185.db2.gz RPJUCLFAUUMDEN-ARJAWSKDSA-N 0 0 168.993 1.575 10 0 ADAERN C[C@H](N)c1ncc([C@@H]2CCCCO2)o1 83554549 573553196 /nfs/dbraw/zinc/55/31/96/573553196.db2.gz JCDOQZVOKKGTRM-YUMQZZPRSA-N 0 0 196.250 1.936 10 0 ADAERN CCc1cnc([C@@H](C)N)o1 83554648 573553219 /nfs/dbraw/zinc/55/32/19/573553219.db2.gz VRWSKHQJRYYHQR-RXMQYKEDSA-N 0 0 140.186 1.257 10 0 ADAERN COCN(C)c1ccc[nH]1 259120159 573553222 /nfs/dbraw/zinc/55/32/22/573553222.db2.gz PXIMRSRVKZRHEM-UHFFFAOYSA-N 0 0 140.186 1.055 10 0 ADAERN CNCc1ncc([C@H]2C[C@H]2C)o1 83555128 573553231 /nfs/dbraw/zinc/55/32/31/573553231.db2.gz XHFZJBFLQPJVQE-RQJHMYQMSA-N 0 0 166.224 1.517 10 0 ADAERN NCC(F)(F)[C@@H](O)c1ccccc1 257830146 573553253 /nfs/dbraw/zinc/55/32/53/573553253.db2.gz JCBWCYANURHNNP-QMMMGPOBSA-N 0 0 187.189 1.314 10 0 ADAERN C/C=C/CN[C@H](C(=O)OCC)C(C)C 308628024 573553281 /nfs/dbraw/zinc/55/32/81/573553281.db2.gz XQZKMSWIDQWPJP-STUBTGCMSA-N 0 0 199.294 1.740 10 0 ADAERN CN[C@H](C)c1ncc([C@@H]2CCCO2)o1 83556154 573553303 /nfs/dbraw/zinc/55/33/03/573553303.db2.gz LUZIRZVPNIJPSB-SFYZADRCSA-N 0 0 196.250 1.807 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](C[NH+]2CCC2)C1 257826504 573554551 /nfs/dbraw/zinc/55/45/51/573554551.db2.gz HONWLXAZWYFYLT-RKDXNWHRSA-N 0 0 183.251 1.193 10 0 ADAERN CC(=O)[C@H](C)[NH2+][C@H]1C=CCCC1 238436810 573553328 /nfs/dbraw/zinc/55/33/28/573553328.db2.gz NJPDWLUZTBPOAG-WPRPVWTQSA-N 0 0 167.252 1.662 10 0 ADAERN CC[C@H](C)N1Cc2cncnc2C1 585331996 573553335 /nfs/dbraw/zinc/55/33/35/573553335.db2.gz AHEICNUFEZBQDB-QMMMGPOBSA-N 0 0 177.251 1.591 10 0 ADAERN C[C@H](N)c1ncc(CC(F)(F)F)o1 83554623 573553375 /nfs/dbraw/zinc/55/33/75/573553375.db2.gz OLALWHZYAITKFL-BYPYZUCNSA-N 0 0 194.156 1.799 10 0 ADAERN CC(=O)c1n[nH]nc1-c1ccncc1 75395355 573553389 /nfs/dbraw/zinc/55/33/89/573553389.db2.gz GWCZFALTGWAAOV-UHFFFAOYSA-N 0 0 188.190 1.069 10 0 ADAERN NC(=O)Sc1ccc(F)cc1 259120915 573553391 /nfs/dbraw/zinc/55/33/91/573553391.db2.gz BWSIITBSVPISAD-UHFFFAOYSA-N 0 0 171.196 1.997 10 0 ADAERN Nc1ccc2c(c1F)CCO2 75396883 573553396 /nfs/dbraw/zinc/55/33/96/573553396.db2.gz JFNKDYUILPSNTH-UHFFFAOYSA-N 0 0 153.156 1.343 10 0 ADAERN CCCC[NH2+]C[C@H]1C[C@@H]1C(=O)[O-] 258773216 573553432 /nfs/dbraw/zinc/55/34/32/573553432.db2.gz YZPJNBCTSVIPBH-SFYZADRCSA-N 0 0 171.240 1.097 10 0 ADAERN NCC(F)(F)[C@H](O)c1ccccc1 257830144 573553411 /nfs/dbraw/zinc/55/34/11/573553411.db2.gz JCBWCYANURHNNP-MRVPVSSYSA-N 0 0 187.189 1.314 10 0 ADAERN C[C@H](CO)[C@@H]1C(=O)C(C)(C)C[C@@H]1C 238437959 573553423 /nfs/dbraw/zinc/55/34/23/573553423.db2.gz REXMAOUYDMXBEY-DJLDLDEBSA-N 0 0 184.279 1.866 10 0 ADAERN CC(C)=C=CC[C@H]1CCC(=O)N1 223137817 573553444 /nfs/dbraw/zinc/55/34/44/573553444.db2.gz SXKXTGXSTQTEIS-VIFPVBQESA-N 0 0 165.236 1.776 10 0 ADAERN Clc1ncnnc1C1CCOCC1 259119864 573553467 /nfs/dbraw/zinc/55/34/67/573553467.db2.gz IPPHSBNKNLNBES-UHFFFAOYSA-N 0 0 199.641 1.419 10 0 ADAERN [NH3+][C@H](CC1CCOCC1)C(F)F 236315329 573553472 /nfs/dbraw/zinc/55/34/72/573553472.db2.gz DJMZJSJSGACEQJ-SSDOTTSWSA-N 0 0 179.210 1.396 10 0 ADAERN C[NH2+][C@H](C[C@H](C)C(=O)[O-])C1CCC1 259505033 573553482 /nfs/dbraw/zinc/55/34/82/573553482.db2.gz SISOJNZWDSKDED-IONNQARKSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1C(=O)O[C@H](O)C1(C1CC1)C1CC1 238437262 573553487 /nfs/dbraw/zinc/55/34/87/573553487.db2.gz NDMYWHFWDITRPD-WKEGUHRASA-N 0 0 196.246 1.304 10 0 ADAERN CNC(=O)c1cc(O)ccc1C(C)C 95712203 573553493 /nfs/dbraw/zinc/55/34/93/573553493.db2.gz ZXFRHBSHARIWOZ-UHFFFAOYSA-N 0 0 193.246 1.875 10 0 ADAERN Nc1c(F)ccc2c1CCO2 75396887 573553513 /nfs/dbraw/zinc/55/35/13/573553513.db2.gz UFUMQQUYCKQUPY-UHFFFAOYSA-N 0 0 153.156 1.343 10 0 ADAERN CNCc1ncc([C@@H]2CCCO2)o1 83555218 573553515 /nfs/dbraw/zinc/55/35/15/573553515.db2.gz VWGABVVIZUYGJT-ZETCQYMHSA-N 0 0 182.223 1.246 10 0 ADAERN CSc1cc(C=O)ccn1 211903546 573554571 /nfs/dbraw/zinc/55/45/71/573554571.db2.gz VQEJWKRPRMDRTJ-UHFFFAOYSA-N 0 0 153.206 1.616 10 0 ADAERN Cc1ccc(O)c([C@H](C)CO)c1 238438483 573554573 /nfs/dbraw/zinc/55/45/73/573554573.db2.gz MYBTZDPWOPFCKT-MRVPVSSYSA-N 0 0 166.220 1.796 10 0 ADAERN CC[C@@H](NO)c1ccco1 95697706 573553544 /nfs/dbraw/zinc/55/35/44/573553544.db2.gz BEHALVWUPMZFKB-ZCFIWIBFSA-N 0 0 141.170 1.710 10 0 ADAERN CC[C@@H](CO)CN(C)c1ccc[nH]1 259121249 573553579 /nfs/dbraw/zinc/55/35/79/573553579.db2.gz YKMBQXOZVSXNJW-SECBINFHSA-N 0 0 182.267 1.469 10 0 ADAERN C[C@@H]1[C@@H]2CCCC[C@@H]2[C@@H](C(=O)[O-])[N@@H+]1C 238437794 573553561 /nfs/dbraw/zinc/55/35/61/573553561.db2.gz XNIPCWIEQUBJAY-KATARQTJSA-N 0 0 197.278 1.580 10 0 ADAERN C[C@@H](N)c1ncc(C2CC2)o1 83554592 573553572 /nfs/dbraw/zinc/55/35/72/573553572.db2.gz APAHTSHNHXBQNI-RXMQYKEDSA-N 0 0 152.197 1.572 10 0 ADAERN Cc1c(N)nnn1CCCC(F)F 688749542 573553589 /nfs/dbraw/zinc/55/35/89/573553589.db2.gz MVTZEYZSYPALGY-UHFFFAOYSA-N 0 0 190.197 1.214 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H](C(N)=O)C1 238437524 573553599 /nfs/dbraw/zinc/55/35/99/573553599.db2.gz KUJVQYBGKRABEO-HRDYMLBCSA-N 0 0 169.268 1.934 10 0 ADAERN CC[NH+](CC)C[C@@H]1C[C@H]1C(=O)[O-] 258771347 573553620 /nfs/dbraw/zinc/55/36/20/573553620.db2.gz YVJDNXVDTIOCQZ-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H](N)c1ncc([C@H]2CCOC2)o1 83554544 573553628 /nfs/dbraw/zinc/55/36/28/573553628.db2.gz OYWDNNPWQFKHLQ-RQJHMYQMSA-N 0 0 182.223 1.198 10 0 ADAERN C[C@@H]1[C@@H](CC(N)=O)CCC1(C)C 238437503 573553631 /nfs/dbraw/zinc/55/36/31/573553631.db2.gz FRNVIPFEQYQFRR-HTQZYQBOSA-N 0 0 169.268 1.934 10 0 ADAERN CNCc1ncc([C@H]2C[C@@H]2C)o1 83555130 573553633 /nfs/dbraw/zinc/55/36/33/573553633.db2.gz XHFZJBFLQPJVQE-BQBZGAKWSA-N 0 0 166.224 1.517 10 0 ADAERN C[C@@H](N)c1ncc([C@@H]2CCOC2)o1 83554542 573553659 /nfs/dbraw/zinc/55/36/59/573553659.db2.gz OYWDNNPWQFKHLQ-RNFRBKRXSA-N 0 0 182.223 1.198 10 0 ADAERN Cc1c(O)ccc(CON)c1C 258062924 573553664 /nfs/dbraw/zinc/55/36/64/573553664.db2.gz SVWGATIXCWRMQH-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN CC[N@@H+]([C@H]1CC[C@H]1C)[C@H](C)CC(=O)[O-] 308629873 573553675 /nfs/dbraw/zinc/55/36/75/573553675.db2.gz YNRQOVMUEVUWFP-BBBLOLIVSA-N 0 0 199.294 1.970 10 0 ADAERN COC(=O)C(C)C 33649331 573553719 /nfs/dbraw/zinc/55/37/19/573553719.db2.gz ODHXKXPEQYLDOF-UHFFFAOYSA-N 0 0 102.133 1.442 10 0 ADAERN CC1CC[NH+]([C@@H]2C[C@H]2C(=O)[O-])CC1 259120985 573554211 /nfs/dbraw/zinc/55/42/11/573554211.db2.gz BXGRMPDMRGLPNN-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN CCCc1ccc(CNCNN)cc1 259122947 573553723 /nfs/dbraw/zinc/55/37/23/573553723.db2.gz QBVGUZARDKJVQB-UHFFFAOYSA-N 0 0 193.294 1.150 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](C[NH+]2CCC2)C1 257826502 573553727 /nfs/dbraw/zinc/55/37/27/573553727.db2.gz HONWLXAZWYFYLT-DTWKUNHWSA-N 0 0 183.251 1.193 10 0 ADAERN C/C=C\[C@H](O)[C@@](C)(O)c1ccccc1 308628354 573553789 /nfs/dbraw/zinc/55/37/89/573553789.db2.gz QGNZEXZMVWDQDU-FWHUQXJJSA-N 0 0 192.258 1.831 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)[C@H](C)CO 238438146 573553793 /nfs/dbraw/zinc/55/37/93/573553793.db2.gz RNHLBMKYXYLCBL-AEJSXWLSSA-N 0 0 172.268 1.556 10 0 ADAERN CCOc1cc(NC)nc(OCC)n1 238269179 573553811 /nfs/dbraw/zinc/55/38/11/573553811.db2.gz BRWABJGSWWWHDI-UHFFFAOYSA-N 0 0 197.238 1.316 10 0 ADAERN O=C1CCC=CC=CCC[C@H](O)CO1 308628365 573553833 /nfs/dbraw/zinc/55/38/33/573553833.db2.gz QHCSXZIVWRCDKD-JTQLQIEISA-N 0 0 196.246 1.577 10 0 ADAERN CC[C@@H](CO)COC(=O)c1ccco1 308630745 573553840 /nfs/dbraw/zinc/55/38/40/573553840.db2.gz UHEUOEGIOHSIEK-QMMMGPOBSA-N 0 0 198.218 1.455 10 0 ADAERN Cc1cc(N)c(C)c2c1OCC2 75396888 573554216 /nfs/dbraw/zinc/55/42/16/573554216.db2.gz KIYXCEYGHQCINB-UHFFFAOYSA-N 0 0 163.220 1.821 10 0 ADAERN C[C@H]1CN=C(c2cccs2)C(=O)N1 238438815 573554582 /nfs/dbraw/zinc/55/45/82/573554582.db2.gz LBQSZPYRUUPHFK-LURJTMIESA-N 0 0 194.259 1.056 10 0 ADAERN C[C@H](CO)[Si](C)(C)c1ccccc1 238438224 573553917 /nfs/dbraw/zinc/55/39/17/573553917.db2.gz UVCJPSLZAAGXTO-SNVBAGLBSA-N 0 0 194.350 1.984 10 0 ADAERN C[C@@H](/C=C1/OC(=O)OC1(C)C)CO 238438318 573553953 /nfs/dbraw/zinc/55/39/53/573553953.db2.gz RRHGXIMUWLMLJB-PDKRUMACSA-N 0 0 186.207 1.444 10 0 ADAERN C[C@H](N)c1ncc([C@@H]2CCOC2)o1 83554541 573553963 /nfs/dbraw/zinc/55/39/63/573553963.db2.gz OYWDNNPWQFKHLQ-NKWVEPMBSA-N 0 0 182.223 1.198 10 0 ADAERN CCn1nc(N)cc1[C@H]1CCCCO1 257830199 573553972 /nfs/dbraw/zinc/55/39/72/573553972.db2.gz IYMPOENJHFNBCI-SECBINFHSA-N 0 0 195.266 1.727 10 0 ADAERN C[C@H]1CC[C@H](C)C1CO 238437272 573553981 /nfs/dbraw/zinc/55/39/81/573553981.db2.gz LWAFDIMYUUNDLF-BQBZGAKWSA-N 0 0 128.215 1.661 10 0 ADAERN CO[C@H](C)CNc1cccc(N)c1 223670267 573553988 /nfs/dbraw/zinc/55/39/88/573553988.db2.gz DXZPVMNDFKUHFS-MRVPVSSYSA-N 0 0 180.251 1.716 10 0 ADAERN C[C@@H](N)c1ncc(C(C)(C)C)o1 83554540 573554003 /nfs/dbraw/zinc/55/40/03/573554003.db2.gz PWYMGTNTLQHBAR-ZCFIWIBFSA-N 0 0 168.240 1.992 10 0 ADAERN OCCc1cccc2c1NCCCC2 257830211 573554004 /nfs/dbraw/zinc/55/40/04/573554004.db2.gz IYPAJIDLGKVMJK-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN CN(C)c1ccc(O)c(F)c1 95711882 573554023 /nfs/dbraw/zinc/55/40/23/573554023.db2.gz CZTFGIZTZYEEMZ-UHFFFAOYSA-N 0 0 155.172 1.597 10 0 ADAERN C[C@H](N)c1ncc(C2CCC2)o1 83554697 573554049 /nfs/dbraw/zinc/55/40/49/573554049.db2.gz WBWCZYVFSSZUQS-LURJTMIESA-N 0 0 166.224 1.962 10 0 ADAERN C[N@@H+](C1CC1)[C@@H](C(=O)[O-])C1CCC1 259111734 573554061 /nfs/dbraw/zinc/55/40/61/573554061.db2.gz QYMROGHUKWYJKU-SECBINFHSA-N 0 0 183.251 1.334 10 0 ADAERN Cc1nc(C=O)nc2c1CCCCC2 257830134 573554077 /nfs/dbraw/zinc/55/40/77/573554077.db2.gz IXCISOUQQLFULB-UHFFFAOYSA-N 0 0 190.246 1.866 10 0 ADAERN CNc1ccc2c(c1)O[C@@H](C)C(=O)N2 259506417 573554082 /nfs/dbraw/zinc/55/40/82/573554082.db2.gz ONAMEOOSIJECEK-LURJTMIESA-N 0 0 192.218 1.448 10 0 ADAERN CCC[C@H](O)/C=C1/OC(=O)C=C1OC 238266516 573554083 /nfs/dbraw/zinc/55/40/83/573554083.db2.gz CHRODHDWKGRDDG-JGESFRBXSA-N 0 0 198.218 1.118 10 0 ADAERN CCC[C@H]([NH3+])C(C)(C)CC(=O)[O-] 259507259 573554088 /nfs/dbraw/zinc/55/40/88/573554088.db2.gz UVNOFFSLDVXTJB-ZETCQYMHSA-N 0 0 173.256 1.615 10 0 ADAERN CN(C)c1c(CN)noc1C1CC1 75397754 573554089 /nfs/dbraw/zinc/55/40/89/573554089.db2.gz WYNADDZTIRSSFE-UHFFFAOYSA-N 0 0 181.239 1.077 10 0 ADAERN CCCC[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 258773214 573554106 /nfs/dbraw/zinc/55/41/06/573554106.db2.gz YZPJNBCTSVIPBH-JGVFFNPUSA-N 0 0 171.240 1.097 10 0 ADAERN C[C@H](N)c1ncc([C@H]2CCOC2)o1 83554543 573554108 /nfs/dbraw/zinc/55/41/08/573554108.db2.gz OYWDNNPWQFKHLQ-BQBZGAKWSA-N 0 0 182.223 1.198 10 0 ADAERN CCc1csc2nc(C)c(N)n12 75395778 573554126 /nfs/dbraw/zinc/55/41/26/573554126.db2.gz XCEZVYIIWLBZHJ-UHFFFAOYSA-N 0 0 181.264 1.849 10 0 ADAERN CO[C@H](C)CNc1ccc(N)nc1 223670540 573554132 /nfs/dbraw/zinc/55/41/32/573554132.db2.gz OIFSQZUBGRCUBK-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN COc1cc(N2CC[C@@H]2C)ccc1N 86662914 573554142 /nfs/dbraw/zinc/55/41/42/573554142.db2.gz HRRVHSWBNPEORK-QMMMGPOBSA-N 0 0 192.262 1.876 10 0 ADAERN C[C@H](N)c1ncc(C2CCOCC2)o1 83554609 573554143 /nfs/dbraw/zinc/55/41/43/573554143.db2.gz LYLYTEPIMTXMRP-ZETCQYMHSA-N 0 0 196.250 1.588 10 0 ADAERN Nc1cc2c(cc1F)OCC2 75396884 573554176 /nfs/dbraw/zinc/55/41/76/573554176.db2.gz DVVJWCRCKKUOEU-UHFFFAOYSA-N 0 0 153.156 1.343 10 0 ADAERN CC1(C)CC(=O)CN1C1CC1 259505049 573554199 /nfs/dbraw/zinc/55/41/99/573554199.db2.gz TZOFHUJUHHFGEY-UHFFFAOYSA-N 0 0 153.225 1.202 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](C[NH+]2CCC2)C1 257826500 573554222 /nfs/dbraw/zinc/55/42/22/573554222.db2.gz HONWLXAZWYFYLT-BDAKNGLRSA-N 0 0 183.251 1.193 10 0 ADAERN Nc1ccc(F)c2c1CCO2 75396879 573554255 /nfs/dbraw/zinc/55/42/55/573554255.db2.gz UEIRWCJIGCFLDB-UHFFFAOYSA-N 0 0 153.156 1.343 10 0 ADAERN CCn1nc(N)cc1[C@@H]1CCCCO1 257830201 573554262 /nfs/dbraw/zinc/55/42/62/573554262.db2.gz IYMPOENJHFNBCI-VIFPVBQESA-N 0 0 195.266 1.727 10 0 ADAERN COc1ccc(F)cc1N(C)CCO 259121194 573554265 /nfs/dbraw/zinc/55/42/65/573554265.db2.gz VVPHQXLRYYYGHU-UHFFFAOYSA-N 0 0 199.225 1.263 10 0 ADAERN CCC(=O)c1nc(C)[nH]c1C 197041630 573554276 /nfs/dbraw/zinc/55/42/76/573554276.db2.gz RDTFBIAERJPNCG-UHFFFAOYSA-N 0 0 152.197 1.619 10 0 ADAERN Cc1ccc([C@H](C)CC(N)=O)cn1 198295370 573554287 /nfs/dbraw/zinc/55/42/87/573554287.db2.gz ZKTVNWWKWKCOSX-SSDOTTSWSA-N 0 0 178.235 1.369 10 0 ADAERN C[C@@H](N)c1ncc(C2CCOCC2)o1 83554610 573554296 /nfs/dbraw/zinc/55/42/96/573554296.db2.gz LYLYTEPIMTXMRP-SSDOTTSWSA-N 0 0 196.250 1.588 10 0 ADAERN CCCC[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 258773213 573554304 /nfs/dbraw/zinc/55/43/04/573554304.db2.gz YZPJNBCTSVIPBH-HTQZYQBOSA-N 0 0 171.240 1.097 10 0 ADAERN C[C@@H](N)c1ncc([C@H]2CCCOC2)o1 83554742 573554308 /nfs/dbraw/zinc/55/43/08/573554308.db2.gz PMNQGXUSULQLAJ-SFYZADRCSA-N 0 0 196.250 1.588 10 0 ADAERN CC(C)Cc1cnc([C@@H](C)N)o1 83554645 573554318 /nfs/dbraw/zinc/55/43/18/573554318.db2.gz KCSGGAPQGPEUKS-SSDOTTSWSA-N 0 0 168.240 1.893 10 0 ADAERN COc1ccc(NCO)c(OC)c1 258773207 573554323 /nfs/dbraw/zinc/55/43/23/573554323.db2.gz YZIPTCIGVACWII-UHFFFAOYSA-N 0 0 183.207 1.066 10 0 ADAERN NOCc1ccccc1C1(O)CC1 259505104 573554373 /nfs/dbraw/zinc/55/43/73/573554373.db2.gz RGICRJKIWYTAHZ-UHFFFAOYSA-N 0 0 179.219 1.058 10 0 ADAERN CN(CCO)c1ccc(Cl)s1 259121423 573554380 /nfs/dbraw/zinc/55/43/80/573554380.db2.gz VXTSLVMGWGSKNE-UHFFFAOYSA-N 0 0 191.683 1.830 10 0 ADAERN CC(=O)c1n[nH]nc1-c1ccccn1 75395354 573554414 /nfs/dbraw/zinc/55/44/14/573554414.db2.gz LFQMKSVWTZQQQL-UHFFFAOYSA-N 0 0 188.190 1.069 10 0 ADAERN ONCc1cc(Cl)cc2c1OCC2 258061495 573554426 /nfs/dbraw/zinc/55/44/26/573554426.db2.gz HLGPLMNUPOJRNN-UHFFFAOYSA-N 0 0 199.637 1.754 10 0 ADAERN Nc1c(F)cc(Cl)c2c1CCO2 75396898 573554427 /nfs/dbraw/zinc/55/44/27/573554427.db2.gz YKESYFMZHZPNHJ-UHFFFAOYSA-N 0 0 187.601 1.996 10 0 ADAERN C[C@@H]1C(=O)[C@@H]2CCCO[C@@H]12 238438424 573554434 /nfs/dbraw/zinc/55/44/34/573554434.db2.gz LDELVEZTCBLYFY-CHKWXVPMSA-N 0 0 140.182 1.000 10 0 ADAERN C[C@@H]1CC[C@@H](C)C1CO 238439038 573554601 /nfs/dbraw/zinc/55/46/01/573554601.db2.gz LWAFDIMYUUNDLF-RNFRBKRXSA-N 0 0 128.215 1.661 10 0 ADAERN CC[C@H]([NH2+]C)[C@@H](CC)C(=O)[O-] 259121805 573554461 /nfs/dbraw/zinc/55/44/61/573554461.db2.gz GKPNXHIPVPFODQ-RQJHMYQMSA-N 0 0 159.229 1.095 10 0 ADAERN COc1c(O)cnc(F)c1C(F)F 238438522 573554488 /nfs/dbraw/zinc/55/44/88/573554488.db2.gz PEZJMRNDVCHDMC-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN O=C1CCc2cocc21 107395565 573554508 /nfs/dbraw/zinc/55/45/08/573554508.db2.gz VVCIQZOMHCJXAC-UHFFFAOYSA-N 0 0 122.123 1.409 10 0 ADAERN CNOCCCc1cccc(O)c1 258060576 573554510 /nfs/dbraw/zinc/55/45/10/573554510.db2.gz VDRFITLNLGUOBK-UHFFFAOYSA-N 0 0 181.235 1.476 10 0 ADAERN Cc1ccc([C@H](C)CO)cc1O 238438570 573554515 /nfs/dbraw/zinc/55/45/15/573554515.db2.gz VHOPRFFVGRPDLW-MRVPVSSYSA-N 0 0 166.220 1.796 10 0 ADAERN Cc1ccc([C@H]2NCC[C@H](C)N2)cc1 238438748 573554529 /nfs/dbraw/zinc/55/45/29/573554529.db2.gz KCUVJOHDFBYLOS-JQWIXIFHSA-N 0 0 190.290 1.965 10 0 ADAERN CC(=O)c1coc([C@H]2CCCOC2)n1 258060297 573555618 /nfs/dbraw/zinc/55/56/18/573555618.db2.gz LKEHPHRBERYNPQ-QMMMGPOBSA-N 0 0 195.218 1.771 10 0 ADAERN C=C=C(C)C[C@@H]1CCC(=O)N1 223137625 573555620 /nfs/dbraw/zinc/55/56/20/573555620.db2.gz BHWQVICYZUGPTF-QMMMGPOBSA-N 0 0 151.209 1.386 10 0 ADAERN CCCC(=O)N1CCC(C)(C)[C@@H](O)C1 259122260 573555602 /nfs/dbraw/zinc/55/56/02/573555602.db2.gz LJIZCUNPUFVCIS-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN [NH3+]C[C@](C(=O)[O-])(C(F)F)C1CCC1 257830108 573555587 /nfs/dbraw/zinc/55/55/87/573555587.db2.gz IWEDNQPVXMISNU-MRVPVSSYSA-N 0 0 193.193 1.081 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H](CC)[NH2+]C 259121799 573555496 /nfs/dbraw/zinc/55/54/96/573555496.db2.gz GKPNXHIPVPFODQ-NKWVEPMBSA-N 0 0 159.229 1.095 10 0 ADAERN C[C@@]12C=C[C@@H](O)[C@@](CCO)(CCC1)C2 238439085 573555520 /nfs/dbraw/zinc/55/55/20/573555520.db2.gz DVMJTWNGDWIIKG-GRYCIOLGSA-N 0 0 196.290 1.866 10 0 ADAERN Cn1cc(COc2ccccc2)cn1 78638223 573555521 /nfs/dbraw/zinc/55/55/21/573555521.db2.gz METZNAXNMJWART-UHFFFAOYSA-N 0 0 188.230 1.999 10 0 ADAERN C[C@H]1CC=C([C@@H](O)CO)CC1 238438882 573555548 /nfs/dbraw/zinc/55/55/48/573555548.db2.gz AVAYPJBDLQQZML-CBAPKCEASA-N 0 0 156.225 1.086 10 0 ADAERN COCCc1cc(Cl)c(=O)[nH]n1 259507192 573555567 /nfs/dbraw/zinc/55/55/67/573555567.db2.gz RIFYALGJBCJWHG-UHFFFAOYSA-N 0 0 188.614 1.025 10 0 ADAERN COCc1cccc(CCON)c1 258060231 573555572 /nfs/dbraw/zinc/55/55/72/573555572.db2.gz SKNOXRLRPZTTMJ-UHFFFAOYSA-N 0 0 181.235 1.266 10 0 ADAERN C[C@](F)(CO)c1ccco1 257830973 573559495 /nfs/dbraw/zinc/55/94/95/573559495.db2.gz JUMICMVXIMKXBD-ZETCQYMHSA-N 0 0 144.145 1.457 10 0 ADAERN COC(=O)[C@@](C)(F)c1ccc(C)o1 257826526 573556825 /nfs/dbraw/zinc/55/68/25/573556825.db2.gz HPGAAPMWZVRQAM-VIFPVBQESA-N 0 0 186.182 1.946 10 0 ADAERN COC(=O)[C@@H](CSC)C(C)C 258063367 573556868 /nfs/dbraw/zinc/55/68/68/573556868.db2.gz IGJJOHNZSWSRKZ-ZETCQYMHSA-N 0 0 176.281 1.795 10 0 ADAERN COC(=O)[C@H](CSC)C(C)C 258063365 573556848 /nfs/dbraw/zinc/55/68/48/573556848.db2.gz IGJJOHNZSWSRKZ-SSDOTTSWSA-N 0 0 176.281 1.795 10 0 ADAERN CC(C)c1nc([C@H](C)O)co1 258060190 573556857 /nfs/dbraw/zinc/55/68/57/573556857.db2.gz LJKLMRJQKRZZII-LURJTMIESA-N 0 0 155.197 1.851 10 0 ADAERN CN(C)c1cc(CCON)ccc1F 259507097 573556861 /nfs/dbraw/zinc/55/68/61/573556861.db2.gz ROQFFOBLHCJUBS-UHFFFAOYSA-N 0 0 198.241 1.325 10 0 ADAERN CC[C@@H](C)C[C@@H](O)c1ccn(C)n1 83572312 573556876 /nfs/dbraw/zinc/55/68/76/573556876.db2.gz UXKFRYXLZGUSBY-PSASIEDQSA-N 0 0 182.267 1.890 10 0 ADAERN C[C@H]1C[C@H](CO)C(CCO)=CC1(C)C 238439217 573556877 /nfs/dbraw/zinc/55/68/77/573556877.db2.gz PHIRQKWPGSFVHY-GXSJLCMTSA-N 0 0 198.306 1.970 10 0 ADAERN C[C@H]1CN=C(c2ccccc2O)O1 238438793 573556517 /nfs/dbraw/zinc/55/65/17/573556517.db2.gz UIWIJKYFOGSUFG-ZETCQYMHSA-N 0 0 177.203 1.558 10 0 ADAERN C[C@@H]1CCc2n[nH]cc2C1=O 107397635 573556527 /nfs/dbraw/zinc/55/65/27/573556527.db2.gz ATPOWQGMTDDVNY-RXMQYKEDSA-N 0 0 150.181 1.175 10 0 ADAERN C[C@@H]1CCc2c[nH]nc2C1=O 107397623 573556538 /nfs/dbraw/zinc/55/65/38/573556538.db2.gz GULRAERGJYCIEK-RXMQYKEDSA-N 0 0 150.181 1.175 10 0 ADAERN CO[C@@H](C)c1ccc(CNO)cc1 258060284 573556557 /nfs/dbraw/zinc/55/65/57/573556557.db2.gz SMDUFTOPCREUHS-QMMMGPOBSA-N 0 0 181.235 1.873 10 0 ADAERN C[C@@H](O)[C@@H]1CC(=O)c2ccccc2C1 238438848 573556610 /nfs/dbraw/zinc/55/66/10/573556610.db2.gz KREMOVRYGWHTPU-SCZZXKLOSA-N 0 0 190.242 1.813 10 0 ADAERN Cc1ccc([C@H](C)CO)nc1 238438597 573556717 /nfs/dbraw/zinc/55/67/17/573556717.db2.gz NIOGVWADSCUEIU-MRVPVSSYSA-N 0 0 151.209 1.486 10 0 ADAERN CC[C@H](NO)c1ccco1 95697761 573556718 /nfs/dbraw/zinc/55/67/18/573556718.db2.gz BEHALVWUPMZFKB-LURJTMIESA-N 0 0 141.170 1.710 10 0 ADAERN COC(=O)Cc1nc(C2CC2)cn1C 259508266 573556892 /nfs/dbraw/zinc/55/68/92/573556892.db2.gz QYSCKBYLIFWIKA-UHFFFAOYSA-N 0 0 194.234 1.013 10 0 ADAERN COc1cccc([C@H](CO)OC)c1 257826457 573556650 /nfs/dbraw/zinc/55/66/50/573556650.db2.gz HMRYKQJNRWYWHG-JTQLQIEISA-N 0 0 182.219 1.375 10 0 ADAERN Cc1ccc(O)cc1[C@H](C)O 238438444 573556679 /nfs/dbraw/zinc/55/66/79/573556679.db2.gz VNGAUEBPJVHGLI-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN CC(=O)c1coc(C[C@@H]2CCOC2)n1 258060218 573556682 /nfs/dbraw/zinc/55/66/82/573556682.db2.gz LJOUIGFNEDZZCE-QMMMGPOBSA-N 0 0 195.218 1.456 10 0 ADAERN C[C@@H]([NH3+])CCc1ccc(N)c([S-])c1 259508158 573556694 /nfs/dbraw/zinc/55/66/94/573556694.db2.gz OPFWUGGJGCZFDQ-SSDOTTSWSA-N 0 0 196.319 1.837 10 0 ADAERN CC[C@H]1[C@H](C(=O)OC)C1(C)C 259504357 573556706 /nfs/dbraw/zinc/55/67/06/573556706.db2.gz BCJOIINVXNZVKV-NKWVEPMBSA-N 0 0 156.225 1.842 10 0 ADAERN C/C=C/[C@H](NC(C)=O)C(=O)OCCC 144798481 573556898 /nfs/dbraw/zinc/55/68/98/573556898.db2.gz SCRZEIALIFUBOP-DNQSNQRASA-N 0 0 199.250 1.020 10 0 ADAERN Nc1ccccc1[C@@H](O)[C@@H]1CCCO1 257830162 573556743 /nfs/dbraw/zinc/55/67/43/573556743.db2.gz IXPXQKYDDHVKRW-WDEREUQCSA-N 0 0 193.246 1.481 10 0 ADAERN CCc1nc(-c2snnc2C)n[nH]1 83575531 573556749 /nfs/dbraw/zinc/55/67/49/573556749.db2.gz ANDGJFUEVBPEHD-UHFFFAOYSA-N 0 0 195.251 1.194 10 0 ADAERN C[C@H]1COc2ccccc2O1 59103758 573556750 /nfs/dbraw/zinc/55/67/50/573556750.db2.gz MJCYUVOCINOVJH-ZETCQYMHSA-N 0 0 150.177 1.846 10 0 ADAERN C[C@H](O)c1cccc2c1OCOC2 258060278 573556767 /nfs/dbraw/zinc/55/67/67/573556767.db2.gz SLZILYCZYRAHPI-ZETCQYMHSA-N 0 0 180.203 1.606 10 0 ADAERN Cn1ccc(-c2ncc(C=O)s2)n1 83574283 573556788 /nfs/dbraw/zinc/55/67/88/573556788.db2.gz QBGLTDMTIULLLX-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN CCc1cc2c(o1)C(=O)CC2 107397572 573556790 /nfs/dbraw/zinc/55/67/90/573556790.db2.gz VYLGHPXZKCIKOK-UHFFFAOYSA-N 0 0 150.177 1.971 10 0 ADAERN C[C@H](O)c1ccc(CON)cc1 258060376 573556797 /nfs/dbraw/zinc/55/67/97/573556797.db2.gz SOCVDIORMPMAAI-ZETCQYMHSA-N 0 0 167.208 1.130 10 0 ADAERN Cn1ccc(C(=O)c2ccoc2)n1 83571829 573557295 /nfs/dbraw/zinc/55/72/95/573557295.db2.gz PTBKKFDBLNIGQG-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN Cc1n[nH]c2c1C(=O)[C@H](C)C2 107397632 573557322 /nfs/dbraw/zinc/55/73/22/573557322.db2.gz FSGHQQODUYCXRW-SCSAIBSYSA-N 0 0 150.181 1.093 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]([NH3+])c1ccc[nH]1 259507000 573557327 /nfs/dbraw/zinc/55/73/27/573557327.db2.gz RIHHPMAULGCXQT-HTRCEHHLSA-N 0 0 182.223 1.125 10 0 ADAERN COC(=O)C[C@H](C)[C@H](C)C(C)=O 197053906 573557348 /nfs/dbraw/zinc/55/73/48/573557348.db2.gz RDAXGJABLPIQTE-BQBZGAKWSA-N 0 0 172.224 1.411 10 0 ADAERN C[NH2+][C@H](/C=C/C(=O)[O-])C1CCC1 259505024 573557349 /nfs/dbraw/zinc/55/73/49/573557349.db2.gz SISKMPOGFCHKFT-HQZHTGGTSA-N 0 0 169.224 1.015 10 0 ADAERN O=C1CCCc2cocc21 107396149 573557552 /nfs/dbraw/zinc/55/75/52/573557552.db2.gz MPNKVNIZXIMBPV-UHFFFAOYSA-N 0 0 136.150 1.799 10 0 ADAERN CC(=O)[C@H](O)C1=CC[C@H](C)CC1 238438812 573557365 /nfs/dbraw/zinc/55/73/65/573557365.db2.gz WIZXAVDOXXKVAN-XVKPBYJWSA-N 0 0 168.236 1.683 10 0 ADAERN CC[NH+](CC)CCNC(=S)[S-] 33649419 573557366 /nfs/dbraw/zinc/55/73/66/573557366.db2.gz SJXGCZHADALIJA-UHFFFAOYSA-N 0 0 192.353 1.133 10 0 ADAERN CC(=O)c1n[nH]c2c1[C@@H](F)CCC2 257830611 573557370 /nfs/dbraw/zinc/55/73/70/573557370.db2.gz JIWYMLAJZWFIIT-LURJTMIESA-N 0 0 182.198 1.959 10 0 ADAERN C[C@H]1CCc2c[nH]nc2C1=O 107397627 573557371 /nfs/dbraw/zinc/55/73/71/573557371.db2.gz GULRAERGJYCIEK-YFKPBYRVSA-N 0 0 150.181 1.175 10 0 ADAERN C[C@H]1CCN[C@H](c2ccccc2)N1 238438930 573557398 /nfs/dbraw/zinc/55/73/98/573557398.db2.gz HHEGNOULRWVFSD-ONGXEEELSA-N 0 0 176.263 1.657 10 0 ADAERN CN(C)c1cc(C=O)ccc1O 95723028 573557399 /nfs/dbraw/zinc/55/73/99/573557399.db2.gz OENCWQXOHYCTIO-UHFFFAOYSA-N 0 0 165.192 1.271 10 0 ADAERN Cn1ccc([C@H](O)c2ccsc2)n1 83572414 573557400 /nfs/dbraw/zinc/55/74/00/573557400.db2.gz IMLRIDQSYOPXSI-SECBINFHSA-N 0 0 194.259 1.563 10 0 ADAERN OCCc1ccc(C2(CO)CC2)cc1 259506927 573557403 /nfs/dbraw/zinc/55/74/03/573557403.db2.gz RLOUMXUVBWGWJF-UHFFFAOYSA-N 0 0 192.258 1.245 10 0 ADAERN CC(C)C[C@H](O)c1ccn(C)n1 83572301 573557430 /nfs/dbraw/zinc/55/74/30/573557430.db2.gz UARVUHSAFIIZLD-VIFPVBQESA-N 0 0 168.240 1.500 10 0 ADAERN CC(C)c1ccc(NCNN)cc1 258771129 573557446 /nfs/dbraw/zinc/55/74/46/573557446.db2.gz YSUGDIQDTXUJRC-UHFFFAOYSA-N 0 0 179.267 1.643 10 0 ADAERN CC1CN(c2cc(F)ccc2N)C1 86678436 573557476 /nfs/dbraw/zinc/55/74/76/573557476.db2.gz GDRPMRYALFFHKB-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN C[C@H]1C(C)(C)CC[C@]1(C)C(N)=O 238438617 573557487 /nfs/dbraw/zinc/55/74/87/573557487.db2.gz OYYVEJSUBPJURV-XVKPBYJWSA-N 0 0 169.268 1.934 10 0 ADAERN CC(=O)COc1cnc(C(C)C)nc1 258771488 573557501 /nfs/dbraw/zinc/55/75/01/573557501.db2.gz WYTGIQRHBIZRFF-UHFFFAOYSA-N 0 0 194.234 1.568 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccc[nH]1 259507005 573557502 /nfs/dbraw/zinc/55/75/02/573557502.db2.gz RIHHPMAULGCXQT-SVRRBLITSA-N 0 0 182.223 1.125 10 0 ADAERN CCc1ncc([C@H]2CSCCN2)o1 257830369 573557533 /nfs/dbraw/zinc/55/75/33/573557533.db2.gz HFGPFJLSSNMXFT-SSDOTTSWSA-N 0 0 198.291 1.615 10 0 ADAERN NC1(c2nc(C(F)(F)F)co2)CC1 257830720 573557545 /nfs/dbraw/zinc/55/75/45/573557545.db2.gz JDPAZWXDIZYBJT-UHFFFAOYSA-N 0 0 192.140 1.641 10 0 ADAERN CC(C)Cn1[nH]c(=O)c2c1COC2 257830289 573557569 /nfs/dbraw/zinc/55/75/69/573557569.db2.gz JEYPEDQONBEURI-UHFFFAOYSA-N 0 0 182.223 1.275 10 0 ADAERN Cc1n[nH]c2c1C(=O)[C@@H](C)C2 107397630 573557581 /nfs/dbraw/zinc/55/75/81/573557581.db2.gz FSGHQQODUYCXRW-BYPYZUCNSA-N 0 0 150.181 1.093 10 0 ADAERN CCCC[C@@H](C)N=c1nc[nH]n1C 393535196 573557588 /nfs/dbraw/zinc/55/75/88/573557588.db2.gz BKFAOBXIAAARRE-MRVPVSSYSA-N 0 0 182.271 1.228 10 0 ADAERN CCC[C@@H]([NH3+])C(C)(C)CC(=O)[O-] 259507257 573557591 /nfs/dbraw/zinc/55/75/91/573557591.db2.gz UVNOFFSLDVXTJB-SSDOTTSWSA-N 0 0 173.256 1.615 10 0 ADAERN CN[C@@H](c1ccoc1)c1ccn(C)n1 83573912 573557643 /nfs/dbraw/zinc/55/76/43/573557643.db2.gz UFULIOYSFVMTEZ-JTQLQIEISA-N 0 0 191.234 1.322 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1COc1cn[nH]c1 258771384 573557648 /nfs/dbraw/zinc/55/76/48/573557648.db2.gz WYAMTGWFFFHYEJ-SECBINFHSA-N 0 0 195.266 1.273 10 0 ADAERN O=Cc1nc(-c2cc[nH]c2)c[nH]1 75408114 573557656 /nfs/dbraw/zinc/55/76/56/573557656.db2.gz XAOJGAKIZKGEEL-UHFFFAOYSA-N 0 0 161.164 1.217 10 0 ADAERN CC(C)[C@H](O)c1ccn(C)n1 83572150 573557682 /nfs/dbraw/zinc/55/76/82/573557682.db2.gz IHLHURXZSXNMKX-QMMMGPOBSA-N 0 0 154.213 1.110 10 0 ADAERN C[N@H+]1CC=C([C@@](C)(F)C(=O)[O-])CC1 257831052 573557700 /nfs/dbraw/zinc/55/77/00/573557700.db2.gz JKJWAAYDEGCWCC-SECBINFHSA-N 0 0 187.214 1.061 10 0 ADAERN Cc1cc(CNO)cc2c1OCO2 258060264 573557719 /nfs/dbraw/zinc/55/77/19/573557719.db2.gz SLMBRBZYBVDKED-UHFFFAOYSA-N 0 0 181.191 1.203 10 0 ADAERN Cn1ccc(C(=O)C(C)(C)C)n1 83571807 573557739 /nfs/dbraw/zinc/55/77/39/573557739.db2.gz JFWQVJUFVRMTHM-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN CC(C)c1nc([C@@H](C)O)co1 258060192 573557745 /nfs/dbraw/zinc/55/77/45/573557745.db2.gz LJKLMRJQKRZZII-ZCFIWIBFSA-N 0 0 155.197 1.851 10 0 ADAERN Cc1nc(C2CC2)[nH]c1C[NH3+] 75407060 573557751 /nfs/dbraw/zinc/55/77/51/573557751.db2.gz XBGWUJZPJDRYSY-UHFFFAOYSA-N 0 0 151.213 1.054 10 0 ADAERN Cc1nnc(-c2csc(C)n2)[nH]1 83575525 573557757 /nfs/dbraw/zinc/55/77/57/573557757.db2.gz DKCYSHXKLMCMFA-UHFFFAOYSA-N 0 0 180.236 1.545 10 0 ADAERN Oc1cccc(OCc2cnco2)c1 258063391 573557770 /nfs/dbraw/zinc/55/77/70/573557770.db2.gz GJKRBKFHJAOYBS-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN CC(=O)c1c(F)ccc2c1CCO2 258060394 573557784 /nfs/dbraw/zinc/55/77/84/573557784.db2.gz SOQBNZDNCCWMLD-UHFFFAOYSA-N 0 0 180.178 1.963 10 0 ADAERN COCOc1cccc(C[C@@H](C)O)c1 308620624 573557788 /nfs/dbraw/zinc/55/77/88/573557788.db2.gz DYQMOHCFXWTLNF-SECBINFHSA-N 0 0 196.246 1.593 10 0 ADAERN COc1ccc(N)c(N2CC[C@H]2C)c1 86678496 573557802 /nfs/dbraw/zinc/55/78/02/573557802.db2.gz WXAGXSNEKWWSKL-MRVPVSSYSA-N 0 0 192.262 1.876 10 0 ADAERN CCn1nc(C(F)(F)F)c(N)c1C 145264673 573558307 /nfs/dbraw/zinc/55/83/07/573558307.db2.gz DZORHSPFWNULNR-UHFFFAOYSA-N 0 0 193.172 1.812 10 0 ADAERN C[NH2+][C@@H](c1ccc[nH]1)[C@H](C)CC(=O)[O-] 259504781 573557826 /nfs/dbraw/zinc/55/78/26/573557826.db2.gz SGMGOXDQRCRLCV-GMSGAONNSA-N 0 0 196.250 1.386 10 0 ADAERN Cn1ccc(-c2nccc(Cl)n2)n1 83571626 573557841 /nfs/dbraw/zinc/55/78/41/573557841.db2.gz OQFCGGONSSOUEJ-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1ccc(C(=O)CC2CC2)n1 83571890 573557852 /nfs/dbraw/zinc/55/78/52/573557852.db2.gz MXEMGWZZZJSNJS-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN CCC[C@](C)(CO)COCOC 215255158 573557857 /nfs/dbraw/zinc/55/78/57/573557857.db2.gz GARWISHNHVXXLL-SECBINFHSA-N 0 0 176.256 1.406 10 0 ADAERN Cc1cc2c(o1)C(=O)CC2 107396145 573557890 /nfs/dbraw/zinc/55/78/90/573557890.db2.gz WXXBZFAYGXOQMJ-UHFFFAOYSA-N 0 0 136.150 1.717 10 0 ADAERN Cn1ccc([C@@H](O)c2ccoc2)n1 83572508 573557957 /nfs/dbraw/zinc/55/79/57/573557957.db2.gz JIQMKPCCGFFAAZ-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN Nc1c[nH]c(-c2cccs2)n1 75408605 573557972 /nfs/dbraw/zinc/55/79/72/573557972.db2.gz BEXCCUCEIJSUSL-UHFFFAOYSA-N 0 0 165.221 1.720 10 0 ADAERN NCC(=O)c1cc(Cl)ccc1N 257830593 573557986 /nfs/dbraw/zinc/55/79/86/573557986.db2.gz JHYCPRVWSWBPGL-UHFFFAOYSA-N 0 0 184.626 1.064 10 0 ADAERN CC(=O)c1coc([C@@H]2CCCOC2)n1 258060294 573557989 /nfs/dbraw/zinc/55/79/89/573557989.db2.gz LKEHPHRBERYNPQ-MRVPVSSYSA-N 0 0 195.218 1.771 10 0 ADAERN COC(=O)/C(F)=C/C1CCOCC1 257830732 573558317 /nfs/dbraw/zinc/55/83/17/573558317.db2.gz JEFPJKHGKVUNEZ-VURMDHGXSA-N 0 0 188.198 1.439 10 0 ADAERN C[C@H]([NH3+])CCc1ccc(N)c([S-])c1 259508160 573558034 /nfs/dbraw/zinc/55/80/34/573558034.db2.gz OPFWUGGJGCZFDQ-ZETCQYMHSA-N 0 0 196.319 1.837 10 0 ADAERN CC1(C)CN(c2ccc(N)nc2)C1 86678023 573558039 /nfs/dbraw/zinc/55/80/39/573558039.db2.gz UPXOCGOTFCSAJX-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN CCc1nc2cc(CO)ccc2o1 75411338 573558040 /nfs/dbraw/zinc/55/80/40/573558040.db2.gz KTRYYFCAVWLDRN-UHFFFAOYSA-N 0 0 177.203 1.883 10 0 ADAERN Nc1ccc(N2CC3(CC3)C2)cn1 86678019 573558052 /nfs/dbraw/zinc/55/80/52/573558052.db2.gz ZENPNFXUVQAUQJ-UHFFFAOYSA-N 0 0 175.235 1.264 10 0 ADAERN CNCC(F)(F)c1ccccc1O 257830985 573558053 /nfs/dbraw/zinc/55/80/53/573558053.db2.gz JUYHXCGYODZBFB-UHFFFAOYSA-N 0 0 187.189 1.703 10 0 ADAERN CC(C)CCc1nonc1N 75412826 573558097 /nfs/dbraw/zinc/55/80/97/573558097.db2.gz VDELUNVSWXYHTH-UHFFFAOYSA-N 0 0 155.201 1.240 10 0 ADAERN CSc1cc(N)c(CCO)cc1N 197051347 573558114 /nfs/dbraw/zinc/55/81/14/573558114.db2.gz PSPLPPAQXCWFKC-UHFFFAOYSA-N 0 0 198.291 1.108 10 0 ADAERN COc1ccccc1[C@H]1CNOC1 257830591 573558323 /nfs/dbraw/zinc/55/83/23/573558323.db2.gz JHVXVPNGQVVHCZ-QMMMGPOBSA-N 0 0 179.219 1.314 10 0 ADAERN CC(=O)[C@H]1CCS[C@@H]1C 107397142 573558118 /nfs/dbraw/zinc/55/81/18/573558118.db2.gz CUJPWSNQEVRWCV-RNFRBKRXSA-N 0 0 144.239 1.717 10 0 ADAERN c1oc([C@@H]2COCCN2)nc1C1CC1 257830278 573558130 /nfs/dbraw/zinc/55/81/30/573558130.db2.gz IZSNIZUYYBZUHD-VIFPVBQESA-N 0 0 194.234 1.213 10 0 ADAERN Cn1ccc(C(=O)C2CCOCC2)n1 83571943 573558152 /nfs/dbraw/zinc/55/81/52/573558152.db2.gz LVJSSKFVZWLRGR-UHFFFAOYSA-N 0 0 194.234 1.029 10 0 ADAERN CC[C@H]1Nc2ccsc2NC1=O 75409764 573558178 /nfs/dbraw/zinc/55/81/78/573558178.db2.gz PZTKJMFBAXDKIQ-RXMQYKEDSA-N 0 0 182.248 1.891 10 0 ADAERN CN[C@@H](c1ccn(C)n1)c1ccco1 83573719 573558179 /nfs/dbraw/zinc/55/81/79/573558179.db2.gz HOAGNDGEYDMRQT-JTQLQIEISA-N 0 0 191.234 1.322 10 0 ADAERN CC[C@@H]1[C@@H](C(=O)OC)C1(C)C 259504362 573558190 /nfs/dbraw/zinc/55/81/90/573558190.db2.gz BCJOIINVXNZVKV-RQJHMYQMSA-N 0 0 156.225 1.842 10 0 ADAERN C[C@@H](O)c1ncc2cccc(F)n12 257830586 573558194 /nfs/dbraw/zinc/55/81/94/573558194.db2.gz JHRYLDHTMZLPDG-ZCFIWIBFSA-N 0 0 180.182 1.527 10 0 ADAERN Cn1c(-c2ccccc2)nc2c1CNC2 82383695 573558665 /nfs/dbraw/zinc/55/86/65/573558665.db2.gz PLUNMOBRYLCQRQ-UHFFFAOYSA-N 0 0 199.257 1.690 10 0 ADAERN Cn1ccc([C@@H](O)CC2CC2)n1 83572543 573558237 /nfs/dbraw/zinc/55/82/37/573558237.db2.gz GUSUIBFDTKWRKQ-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN Cc1ccc(Cc2nonc2N)cc1 75412771 573558282 /nfs/dbraw/zinc/55/82/82/573558282.db2.gz XCPHOYCXUDZBNF-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN C[N@@H+]1CCc2c(csc2C(=O)[O-])C1 82385075 573558347 /nfs/dbraw/zinc/55/83/47/573558347.db2.gz BYRANCPDZFQHSJ-UHFFFAOYSA-N 0 0 197.259 1.434 10 0 ADAERN CCCC[NH2+]CC[C@H](C)C(=O)[O-] 258781701 573558384 /nfs/dbraw/zinc/55/83/84/573558384.db2.gz ZTAZZZUVYRJNGT-QMMMGPOBSA-N 0 0 173.256 1.487 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH3+])c1ccc[nH]1 259507006 573558395 /nfs/dbraw/zinc/55/83/95/573558395.db2.gz RIHHPMAULGCXQT-XPUUQOCRSA-N 0 0 182.223 1.125 10 0 ADAERN CC1(C)C[C@@H](O)C[C@](C)(CO)C1 145114441 573558407 /nfs/dbraw/zinc/55/84/07/573558407.db2.gz SYMNXYZGEQDEPK-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2c(O)cccc2N1 258063369 573559146 /nfs/dbraw/zinc/55/91/46/573559146.db2.gz GJCYAVFVIFFOMA-JGVFFNPUSA-N 0 0 193.246 1.500 10 0 ADAERN Cc1nc(-c2nnc(N)s2)cs1 83575496 573561619 /nfs/dbraw/zinc/56/16/19/573561619.db2.gz VRAIMXPMCOATNI-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN C[C@H]1CCc2n[nH]cc2C1=O 107397637 573558428 /nfs/dbraw/zinc/55/84/28/573558428.db2.gz ATPOWQGMTDDVNY-YFKPBYRVSA-N 0 0 150.181 1.175 10 0 ADAERN NC(=O)c1cn2cc(Cl)ccc2n1 145197016 573558436 /nfs/dbraw/zinc/55/84/36/573558436.db2.gz VSVDDXVDLBSRAB-UHFFFAOYSA-N 0 0 195.609 1.087 10 0 ADAERN CCC[C@@H](O)c1ccn(C)n1 83572379 573558446 /nfs/dbraw/zinc/55/84/46/573558446.db2.gz SKLMURVVETYJFC-MRVPVSSYSA-N 0 0 154.213 1.254 10 0 ADAERN Cc1cccc2c1CNC(=O)CS2 145135924 573558498 /nfs/dbraw/zinc/55/84/98/573558498.db2.gz SDUYAJQQQAGVQF-UHFFFAOYSA-N 0 0 193.271 1.717 10 0 ADAERN C[C@@H]1CCN1c1ccc(N)nc1 86678002 573558509 /nfs/dbraw/zinc/55/85/09/573558509.db2.gz BZTKIVSGZVSNTB-SSDOTTSWSA-N 0 0 163.224 1.262 10 0 ADAERN C[NH2+][C@@H](C[C@H](C)C(=O)[O-])C1CCC1 259505030 573558514 /nfs/dbraw/zinc/55/85/14/573558514.db2.gz SISOJNZWDSKDED-CBAPKCEASA-N 0 0 185.267 1.485 10 0 ADAERN CCC[C@](N)(C(=O)OC)[C@H](C)F 257830272 573558517 /nfs/dbraw/zinc/55/85/17/573558517.db2.gz JEVBOXLEGSPVBT-POYBYMJQSA-N 0 0 177.219 1.015 10 0 ADAERN Nc1cc(F)cc(-c2ncc[nH]2)c1 83570818 573558541 /nfs/dbraw/zinc/55/85/41/573558541.db2.gz NRYCKHVURHJQSE-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Cn1ccc([C@@H](N)c2cccs2)n1 83573273 573558579 /nfs/dbraw/zinc/55/85/79/573558579.db2.gz RWCOGHKPVICTCT-SECBINFHSA-N 0 0 193.275 1.530 10 0 ADAERN Cc1ccc(C(C)(C)CNC(N)=O)o1 258776101 573558590 /nfs/dbraw/zinc/55/85/90/573558590.db2.gz XVDMUOWJVXUVPF-UHFFFAOYSA-N 0 0 196.250 1.534 10 0 ADAERN N[C@@H](F)C1=CCCCC1 257830431 573558593 /nfs/dbraw/zinc/55/85/93/573558593.db2.gz JKIRFHHBNWXBAT-SSDOTTSWSA-N 0 0 129.178 1.741 10 0 ADAERN Cc1cccc(C[C@](C)(O)CO)c1 257831082 573558600 /nfs/dbraw/zinc/55/86/00/573558600.db2.gz JLLQSODTDACLGE-NSHDSACASA-N 0 0 180.247 1.281 10 0 ADAERN O=C([O-])[C@@H]1CCCC[N@@H+]2CCCC[C@H]12 82385003 573558608 /nfs/dbraw/zinc/55/86/08/573558608.db2.gz BSPGWYHABDWFJJ-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN OCC[C@@H]1CCc2cccc(O)c2N1 257830691 573558625 /nfs/dbraw/zinc/55/86/25/573558625.db2.gz JCQOAXZFFUSUAW-VIFPVBQESA-N 0 0 193.246 1.501 10 0 ADAERN NNC1(c2ccc(Cl)cc2)COC1 258777537 573558658 /nfs/dbraw/zinc/55/86/58/573558658.db2.gz UOBZZECMZNYCEJ-UHFFFAOYSA-N 0 0 198.653 1.029 10 0 ADAERN Cc1sc(C2CC2)nc1N 75404442 573558663 /nfs/dbraw/zinc/55/86/63/573558663.db2.gz PRIKEYKXUZCWFN-UHFFFAOYSA-N 0 0 154.238 1.911 10 0 ADAERN [NH3+]C[C@H]1CCc2c(C(=O)[O-])cccc21 257830686 573558673 /nfs/dbraw/zinc/55/86/73/573558673.db2.gz JCHMCCOPDOGNDF-SSDOTTSWSA-N 0 0 191.230 1.373 10 0 ADAERN Cn1cc(CO)c2cc(N)ccc21 258061541 573558678 /nfs/dbraw/zinc/55/86/78/573558678.db2.gz PDRXDLCVQPGQMW-UHFFFAOYSA-N 0 0 176.219 1.253 10 0 ADAERN CCOC(=O)c1ccc(CC)n1C 259505261 573558712 /nfs/dbraw/zinc/55/87/12/573558712.db2.gz BESRMQOKAASBOZ-UHFFFAOYSA-N 0 0 181.235 1.764 10 0 ADAERN CC(=O)c1noc([C@H]2CCSC2)n1 258061022 573558740 /nfs/dbraw/zinc/55/87/40/573558740.db2.gz PSBHBTNNFQMSGM-LURJTMIESA-N 0 0 198.247 1.493 10 0 ADAERN Cc1cccc([C@H](C)CC(N)=O)n1 198297230 573558748 /nfs/dbraw/zinc/55/87/48/573558748.db2.gz MUJQADZHIICGMQ-SSDOTTSWSA-N 0 0 178.235 1.369 10 0 ADAERN Nc1cc(C2CC2)sn1 107396498 573559469 /nfs/dbraw/zinc/55/94/69/573559469.db2.gz VRJAORGXBWALFH-UHFFFAOYSA-N 0 0 140.211 1.603 10 0 ADAERN Cc1cccc(-n2cc3c(n2)CNC3)c1 82383748 573558794 /nfs/dbraw/zinc/55/87/94/573558794.db2.gz BKADZJKYNZZAMO-UHFFFAOYSA-N 0 0 199.257 1.784 10 0 ADAERN O[C@H]1COC[C@H]1c1cccc(Cl)c1 687984279 573558817 /nfs/dbraw/zinc/55/88/17/573558817.db2.gz XVJJWSVTVXRBMD-UWVGGRQHSA-N 0 0 198.649 1.815 10 0 ADAERN C[C@H]1CCCC[C@]12C(=O)CCNC2=O 238440163 573558826 /nfs/dbraw/zinc/55/88/26/573558826.db2.gz IABMIFKTEZINBW-GZMMTYOYSA-N 0 0 195.262 1.272 10 0 ADAERN CO[C@@H](C)CC(=O)OCC1(C)CC1 393535776 573558858 /nfs/dbraw/zinc/55/88/58/573558858.db2.gz DCJRUCPUVWCTPN-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN CC(C)C[C@@H]1CN(C(C)C)C(=O)N1 259504363 573558860 /nfs/dbraw/zinc/55/88/60/573558860.db2.gz QKYNIUTXKPCESI-SECBINFHSA-N 0 0 184.283 1.835 10 0 ADAERN CNC(=S)N(C)c1ccccn1 145167808 573558861 /nfs/dbraw/zinc/55/88/61/573558861.db2.gz YSMFXSDLPQZCCU-UHFFFAOYSA-N 0 0 181.264 1.022 10 0 ADAERN Nc1c[nH]c(-c2cccnc2)n1 75408606 573558886 /nfs/dbraw/zinc/55/88/86/573558886.db2.gz KIKNJDVIMFVNCQ-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Cc1c[nH]c(-c2cnn(C)c2)n1 83574288 573558893 /nfs/dbraw/zinc/55/88/93/573558893.db2.gz UIHKAHZKUWBHJP-UHFFFAOYSA-N 0 0 162.196 1.119 10 0 ADAERN CC[C@@H]1[C@H](C(=O)OC)C1(C)C 259504360 573558896 /nfs/dbraw/zinc/55/88/96/573558896.db2.gz BCJOIINVXNZVKV-RNFRBKRXSA-N 0 0 156.225 1.842 10 0 ADAERN CCc1nc(C2CC2)[nH]c1C[NH3+] 75407143 573559479 /nfs/dbraw/zinc/55/94/79/573559479.db2.gz MWRONYCUIYECEV-UHFFFAOYSA-N 0 0 165.240 1.308 10 0 ADAERN CC(C)[C@@H](O)c1ccn(C)n1 83572152 573558912 /nfs/dbraw/zinc/55/89/12/573558912.db2.gz IHLHURXZSXNMKX-MRVPVSSYSA-N 0 0 154.213 1.110 10 0 ADAERN Cn1ccc(C(=O)c2cccs2)n1 83571970 573558919 /nfs/dbraw/zinc/55/89/19/573558919.db2.gz WVLSDIUZIPCOJV-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Nc1nscc1Cl 107396133 573558944 /nfs/dbraw/zinc/55/89/44/573558944.db2.gz DADOEBUVEPRJFN-UHFFFAOYSA-N 0 0 134.591 1.379 10 0 ADAERN C[N@H+]1CC=C([C@](C)(F)C(=O)[O-])CC1 257831053 573558947 /nfs/dbraw/zinc/55/89/47/573558947.db2.gz JKJWAAYDEGCWCC-VIFPVBQESA-N 0 0 187.214 1.061 10 0 ADAERN Cn1ccc([C@H](O)c2ccco2)n1 83572510 573558952 /nfs/dbraw/zinc/55/89/52/573558952.db2.gz OXZCKAMSOONQIN-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN C[C@H](O)CN1CN(C)c2ccccc21 238440102 573558968 /nfs/dbraw/zinc/55/89/68/573558968.db2.gz AZZQJXLXGJYAQD-VIFPVBQESA-N 0 0 192.262 1.281 10 0 ADAERN C[NH2+][C@@H](/C=C/C(=O)[O-])C1CCC1 259505020 573558969 /nfs/dbraw/zinc/55/89/69/573558969.db2.gz SISKMPOGFCHKFT-GJIOHYHPSA-N 0 0 169.224 1.015 10 0 ADAERN Nc1cc(O)ccc1NC(=O)C1CC1 236343690 573558971 /nfs/dbraw/zinc/55/89/71/573558971.db2.gz PYWDZODVKKJZLZ-UHFFFAOYSA-N 0 0 192.218 1.323 10 0 ADAERN CCC1CN(c2ccc(N)nc2)C1 86677996 573558984 /nfs/dbraw/zinc/55/89/84/573558984.db2.gz LUPNCKRBIDCVFO-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN C[C@H]1CNC(c2ccccc2)=NO1 238440061 573558992 /nfs/dbraw/zinc/55/89/92/573558992.db2.gz AJFGDJPOVMMKTL-QMMMGPOBSA-N 0 0 176.219 1.357 10 0 ADAERN Cn1ccc(C(=O)c2ccsc2)n1 83571909 573558998 /nfs/dbraw/zinc/55/89/98/573558998.db2.gz JILCCOXYFQYOMD-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1cc(C(=O)CC2CC2)cn1 83571692 573559005 /nfs/dbraw/zinc/55/90/05/573559005.db2.gz NRZAHKPZHIJCEV-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN CC(=O)[C@@H]1CCS[C@@H]1C 107397138 573559488 /nfs/dbraw/zinc/55/94/88/573559488.db2.gz CUJPWSNQEVRWCV-RQJHMYQMSA-N 0 0 144.239 1.717 10 0 ADAERN C[C@H](c1ccccc1)c1nonc1N 75412824 573559014 /nfs/dbraw/zinc/55/90/14/573559014.db2.gz RYJBTFPZBWWZFG-SSDOTTSWSA-N 0 0 189.218 1.804 10 0 ADAERN C[C@H](O)CSc1ccc(CO)cc1 130366479 573559016 /nfs/dbraw/zinc/55/90/16/573559016.db2.gz QOFYPYSEBZYULG-QMMMGPOBSA-N 0 0 198.287 1.652 10 0 ADAERN OC[C@@H](c1ccc(O)cc1)C1CC1 259614248 573559020 /nfs/dbraw/zinc/55/90/20/573559020.db2.gz DWHCZESEPIAYRF-LLVKDONJSA-N 0 0 178.231 1.878 10 0 ADAERN COc1nsc(NCC(C)C)n1 238440208 573559053 /nfs/dbraw/zinc/55/90/53/573559053.db2.gz REAAANXSJNKFDO-UHFFFAOYSA-N 0 0 187.268 1.615 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](c1cc[nH]c1)[NH+](C)C 259506110 573559094 /nfs/dbraw/zinc/55/90/94/573559094.db2.gz LZYJMOHRUCNWES-CBAPKCEASA-N 0 0 196.250 1.338 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2c(O)cccc2N1 258063366 573559123 /nfs/dbraw/zinc/55/91/23/573559123.db2.gz GJCYAVFVIFFOMA-HTQZYQBOSA-N 0 0 193.246 1.500 10 0 ADAERN Cc1ccc(O)c(CCON)c1 258060237 573559153 /nfs/dbraw/zinc/55/91/53/573559153.db2.gz SKOUPQXSKXZJLX-UHFFFAOYSA-N 0 0 167.208 1.133 10 0 ADAERN CC(=O)O/C=C(\Cl)COC(C)=O 33650296 573559157 /nfs/dbraw/zinc/55/91/57/573559157.db2.gz GEEGHNOKMUVQRF-CLTKARDFSA-N 0 0 192.598 1.193 10 0 ADAERN CNOCCCc1cccc(F)c1 258060910 573559162 /nfs/dbraw/zinc/55/91/62/573559162.db2.gz VIBMMQORMPMCJD-UHFFFAOYSA-N 0 0 183.226 1.909 10 0 ADAERN CC1CN(c2ccc(N)nc2)C1 86677998 573559184 /nfs/dbraw/zinc/55/91/84/573559184.db2.gz OKLIEGCIVWTOOG-UHFFFAOYSA-N 0 0 163.224 1.120 10 0 ADAERN CC[C@H](C)[C@@H](CO)Nc1nnc(C)o1 308630976 573559185 /nfs/dbraw/zinc/55/91/85/573559185.db2.gz YYOCOXMRBNAQAG-POYBYMJQSA-N 0 0 199.254 1.197 10 0 ADAERN CCc1ncc([C@@H]2CSCCN2)o1 257830370 573559207 /nfs/dbraw/zinc/55/92/07/573559207.db2.gz HFGPFJLSSNMXFT-ZETCQYMHSA-N 0 0 198.291 1.615 10 0 ADAERN C[NH2+][C@H](c1ccc[nH]1)[C@@H](C)CC(=O)[O-] 259504789 573559222 /nfs/dbraw/zinc/55/92/22/573559222.db2.gz SGMGOXDQRCRLCV-XVKPBYJWSA-N 0 0 196.250 1.386 10 0 ADAERN Cc1nc(-c2n[nH]c(=S)[nH]2)cs1 83575569 573559227 /nfs/dbraw/zinc/55/92/27/573559227.db2.gz JCMALDUICFNGHS-UHFFFAOYSA-N 0 0 198.276 1.525 10 0 ADAERN CCC[C@@H]1CCC[C@H](C(=O)OCC)N1 238268459 573559250 /nfs/dbraw/zinc/55/92/50/573559250.db2.gz VGHUQUVXFHIZEX-NXEZZACHSA-N 0 0 199.294 1.860 10 0 ADAERN CC(C)(C(N)=O)c1cnoc1C1CC1 145130545 573559262 /nfs/dbraw/zinc/55/92/62/573559262.db2.gz BZELKFYTEPZVPV-UHFFFAOYSA-N 0 0 194.234 1.315 10 0 ADAERN C[C@@](F)(CO)c1ccco1 257830972 573559268 /nfs/dbraw/zinc/55/92/68/573559268.db2.gz JUMICMVXIMKXBD-SSDOTTSWSA-N 0 0 144.145 1.457 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@H](O)CO 78640370 573559278 /nfs/dbraw/zinc/55/92/78/573559278.db2.gz KKTZWLUEJGFWGZ-IWSPIJDZSA-N 0 0 158.241 1.166 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](c1cc[nH]c1)[NH+](C)C 259506111 573559310 /nfs/dbraw/zinc/55/93/10/573559310.db2.gz LZYJMOHRUCNWES-IONNQARKSA-N 0 0 196.250 1.338 10 0 ADAERN Cc1c2c(n(C)c1C=O)CCCC2=O 238440112 573559317 /nfs/dbraw/zinc/55/93/17/573559317.db2.gz LMXYWVFZZRZREE-UHFFFAOYSA-N 0 0 191.230 1.665 10 0 ADAERN CC[C@@H]1Nc2ccsc2NC1=O 75409767 573559323 /nfs/dbraw/zinc/55/93/23/573559323.db2.gz PZTKJMFBAXDKIQ-YFKPBYRVSA-N 0 0 182.248 1.891 10 0 ADAERN CC1(C)C[C@H](O)C[C@](C)(CO)C1 145114238 573559326 /nfs/dbraw/zinc/55/93/26/573559326.db2.gz SYMNXYZGEQDEPK-WPRPVWTQSA-N 0 0 172.268 1.556 10 0 ADAERN COc1ccccc1[C@](C)(F)CO 257831003 573559331 /nfs/dbraw/zinc/55/93/31/573559331.db2.gz JVTXINAWEOTPIO-SNVBAGLBSA-N 0 0 184.210 1.872 10 0 ADAERN Cn1ccc(C(=O)C2CC2)n1 83571907 573559356 /nfs/dbraw/zinc/55/93/56/573559356.db2.gz URDKZPJTIHUSQN-UHFFFAOYSA-N 0 0 150.181 1.013 10 0 ADAERN Cn1ccc([C@H](O)C2CCCC2)n1 83572545 573559381 /nfs/dbraw/zinc/55/93/81/573559381.db2.gz LMCBENJMOQZQRX-SNVBAGLBSA-N 0 0 180.251 1.644 10 0 ADAERN Cc1nn(C)cc1-c1csc(=O)[nH]1 83569965 573559390 /nfs/dbraw/zinc/55/93/90/573559390.db2.gz QYQGCKMYYGJNFX-UHFFFAOYSA-N 0 0 195.247 1.145 10 0 ADAERN CC[N@@H+]1CCC[C@@H]1/C=C\C(=O)[O-] 258060964 573559404 /nfs/dbraw/zinc/55/94/04/573559404.db2.gz DROBPDBZENERER-RPSMYOMKSA-N 0 0 169.224 1.112 10 0 ADAERN CC(C)CC(=O)c1ccn(C)n1 83571867 573559405 /nfs/dbraw/zinc/55/94/05/573559405.db2.gz NWEGESVTXZTDBS-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN CC(C)C/C=C\N1C(=O)C=C[C@H]1O 145028525 573559407 /nfs/dbraw/zinc/55/94/07/573559407.db2.gz STZLNBQWFVAXHF-SEYNBYMXSA-N 0 0 181.235 1.263 10 0 ADAERN C=Cc1ccc(C(=O)NC)cn1 145128796 573561643 /nfs/dbraw/zinc/56/16/43/573561643.db2.gz NHECGTFNQCTRJF-UHFFFAOYSA-N 0 0 162.192 1.084 10 0 ADAERN C[C@H]1CCN1c1ccc(N)nc1 86678003 573561051 /nfs/dbraw/zinc/56/10/51/573561051.db2.gz BZTKIVSGZVSNTB-ZETCQYMHSA-N 0 0 163.224 1.262 10 0 ADAERN Cc1c(O)c(=S)ccn1C 59200265 573561052 /nfs/dbraw/zinc/56/10/52/573561052.db2.gz SVOBTPSWHFSTQO-UHFFFAOYSA-N 0 0 155.222 1.769 10 0 ADAERN CC(C)SC(=O)c1oncc1N 258061797 573561057 /nfs/dbraw/zinc/56/10/57/573561057.db2.gz GOEUCCLECKRGEM-UHFFFAOYSA-N 0 0 186.236 1.539 10 0 ADAERN CCc1c2cccc(N)c2nn1C 257830587 573561064 /nfs/dbraw/zinc/56/10/64/573561064.db2.gz JHSZEWPNHSVDTJ-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN CC1(C)NC2(CCCCC2)NC1=O 78645258 573561065 /nfs/dbraw/zinc/56/10/65/573561065.db2.gz UTGNHYXJXNMGNX-UHFFFAOYSA-N 0 0 182.267 1.145 10 0 ADAERN Cn1ccc([C@@H](N)c2ccco2)n1 83573221 573561071 /nfs/dbraw/zinc/56/10/71/573561071.db2.gz HOOLCKRPDXNIHT-SECBINFHSA-N 0 0 177.207 1.061 10 0 ADAERN CC(C)(C)CCCOC(=O)C1(N)CC1 308623204 573560995 /nfs/dbraw/zinc/56/09/95/573560995.db2.gz YAULFBRQGSXZIA-UHFFFAOYSA-N 0 0 199.294 1.847 10 0 ADAERN NN[C@H](N)c1ccc2ccccc2c1 259509836 573561013 /nfs/dbraw/zinc/56/10/13/573561013.db2.gz RNFRUQMVPQLGDI-NSHDSACASA-N 0 0 187.246 1.260 10 0 ADAERN C[C@@H]1CCC2=C(C1)NC(=O)CC2 238440375 573561024 /nfs/dbraw/zinc/56/10/24/573561024.db2.gz IVECYQLHECCOLD-SSDOTTSWSA-N 0 0 165.236 1.971 10 0 ADAERN Cn1ccc(C(=O)c2cccnc2)n1 83571920 573560723 /nfs/dbraw/zinc/56/07/23/573560723.db2.gz FAQFRLIHMKZZLT-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN CCCc1ccc(CO)cn1 145135607 573560725 /nfs/dbraw/zinc/56/07/25/573560725.db2.gz IXVMDLOLWAJJEH-UHFFFAOYSA-N 0 0 151.209 1.526 10 0 ADAERN C[C@H](O)c1cc(F)c(F)cc1CO 258061939 573560737 /nfs/dbraw/zinc/56/07/37/573560737.db2.gz LOJVDSGZNCRIOK-YFKPBYRVSA-N 0 0 188.173 1.510 10 0 ADAERN C[C@@]12C=C[C@@H](C(=O)N1)c1ccccc12 238439978 573560751 /nfs/dbraw/zinc/56/07/51/573560751.db2.gz CSTNXNVCSQXTQU-SKDRFNHKSA-N 0 0 185.226 1.685 10 0 ADAERN O=C1[C@@H]2CCCCC[C@@H]12 145147093 573560758 /nfs/dbraw/zinc/56/07/58/573560758.db2.gz BLIVKQJDKISWQN-RNFRBKRXSA-N 0 0 124.183 1.766 10 0 ADAERN CCC[C@@](N)(C(=O)OC)[C@H](C)F 257830275 573560807 /nfs/dbraw/zinc/56/08/07/573560807.db2.gz JEVBOXLEGSPVBT-XPUUQOCRSA-N 0 0 177.219 1.015 10 0 ADAERN Cn1ccc(-c2noc(Cl)n2)n1 83574276 573560809 /nfs/dbraw/zinc/56/08/09/573560809.db2.gz AADRIOMXNKDULU-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN COC(=O)N/C=C/c1ccc(O)cc1 145125687 573561030 /nfs/dbraw/zinc/56/10/30/573561030.db2.gz OOVYDYPWXWZNEQ-VOTSOKGWSA-N 0 0 193.202 1.719 10 0 ADAERN Cn1ccc([C@@H](O)c2ccco2)n1 83572512 573560827 /nfs/dbraw/zinc/56/08/27/573560827.db2.gz OXZCKAMSOONQIN-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN CCC(C)(C)CNC=CC(=O)OC 393536336 573560828 /nfs/dbraw/zinc/56/08/28/573560828.db2.gz GJAHITDOBLVNCU-SREVYHEPSA-N 0 0 185.267 1.699 10 0 ADAERN COC(=O)C(/C=C\C=C(C)C)=C\CO 308623376 573560837 /nfs/dbraw/zinc/56/08/37/573560837.db2.gz HZBVWXXOIXACFU-KFUKRSJGSA-N 0 0 196.246 1.601 10 0 ADAERN C[C@H](O)CN1CSCCSC1 238440123 573560879 /nfs/dbraw/zinc/56/08/79/573560879.db2.gz AITIOXXCFXVEMC-ZETCQYMHSA-N 0 0 193.337 1.064 10 0 ADAERN COC(=O)[C@@H](C)N[C@H](C)c1ccc[nH]1 308621081 573560888 /nfs/dbraw/zinc/56/08/88/573560888.db2.gz TZPTXPACPGOEAP-HTQZYQBOSA-N 0 0 196.250 1.227 10 0 ADAERN C=COC[C@@H](C)C(C)=O 238440176 573560903 /nfs/dbraw/zinc/56/09/03/573560903.db2.gz LQVWGGPUTJMTJF-ZCFIWIBFSA-N 0 0 128.171 1.372 10 0 ADAERN Cn1ccc([C@H](N)c2ccoc2)n1 83573578 573560921 /nfs/dbraw/zinc/56/09/21/573560921.db2.gz DSZYTSHDPGVCRW-SECBINFHSA-N 0 0 177.207 1.061 10 0 ADAERN N[C@H](c1ccoc1)C(F)F 95767505 573560925 /nfs/dbraw/zinc/56/09/25/573560925.db2.gz WEBQRTIFCGJNQN-RXMQYKEDSA-N 0 0 147.124 1.545 10 0 ADAERN Cc1c[nH]c(-c2ccn(C)n2)n1 83574289 573560933 /nfs/dbraw/zinc/56/09/33/573560933.db2.gz JJXBDRVSNNTESN-UHFFFAOYSA-N 0 0 162.196 1.119 10 0 ADAERN CN(C)c1c[nH]c2ncccc12 145158899 573560942 /nfs/dbraw/zinc/56/09/42/573560942.db2.gz BQWYFMUESOAKDW-UHFFFAOYSA-N 0 0 161.208 1.629 10 0 ADAERN CC1(C[C@H]2COC[C@H]2O)CCCC1 687984315 573560959 /nfs/dbraw/zinc/56/09/59/573560959.db2.gz XYIKPTDVWLXLEY-VHSXEESVSA-N 0 0 184.279 1.964 10 0 ADAERN CO[C@@]1(C)C[C@H]2[C@@H](C[C@@H]1O)C2(C)C 145119184 573561039 /nfs/dbraw/zinc/56/10/39/573561039.db2.gz XFJARCYMVJCFTJ-HJGDQZAQSA-N 0 0 184.279 1.818 10 0 ADAERN Nc1c[nH]c(-c2ccccn2)n1 75408607 573560974 /nfs/dbraw/zinc/56/09/74/573560974.db2.gz OQISBBGUHWSFSL-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1cc([C@@H]2CCOC2)ccc1F 257830541 573560982 /nfs/dbraw/zinc/56/09/82/573560982.db2.gz JGEZAEMHCICXKZ-MRVPVSSYSA-N 0 0 181.210 1.912 10 0 ADAERN CCc1ccoc1C=O 75410348 573560988 /nfs/dbraw/zinc/56/09/88/573560988.db2.gz GOAOMLBTQLSMLX-UHFFFAOYSA-N 0 0 124.139 1.655 10 0 ADAERN C/C=C/CN[C@H](CC)c1noc(C)n1 308621542 573561045 /nfs/dbraw/zinc/56/10/45/573561045.db2.gz UDZGRMNHSNZPSB-OTQAPUNGSA-N 0 0 195.266 1.995 10 0 ADAERN Cn1ccc([C@H](O)CC2CC2)n1 83572542 573561091 /nfs/dbraw/zinc/56/10/91/573561091.db2.gz GUSUIBFDTKWRKQ-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN Cc1nc(C2(O)CC2)cs1 83576290 573561401 /nfs/dbraw/zinc/56/14/01/573561401.db2.gz WYDNLFFKMMOBNB-UHFFFAOYSA-N 0 0 155.222 1.433 10 0 ADAERN Cc1cc2c(Cl)nc(C)nc2nn1 82386923 573561417 /nfs/dbraw/zinc/56/14/17/573561417.db2.gz BFEZQCAIFAKJPI-UHFFFAOYSA-N 0 0 194.625 1.690 10 0 ADAERN Cn1ccc([C@@H](O)c2cccs2)n1 83572478 573561445 /nfs/dbraw/zinc/56/14/45/573561445.db2.gz DAGWPRXWPBDLHE-SECBINFHSA-N 0 0 194.259 1.563 10 0 ADAERN CC(C)C1CN(c2ccc(N)nc2)C1 86678009 573561448 /nfs/dbraw/zinc/56/14/48/573561448.db2.gz BUNGFAUQGQLALN-UHFFFAOYSA-N 0 0 191.278 1.756 10 0 ADAERN COC(=O)[C@H](C)N[C@H](C)c1ccc[nH]1 308621084 573561605 /nfs/dbraw/zinc/56/16/05/573561605.db2.gz TZPTXPACPGOEAP-SFYZADRCSA-N 0 0 196.250 1.227 10 0 ADAERN O=C1[C@H]2CCCCC[C@@H]12 145147313 573561461 /nfs/dbraw/zinc/56/14/61/573561461.db2.gz BLIVKQJDKISWQN-KNVOCYPGSA-N 0 0 124.183 1.766 10 0 ADAERN CCONCCC(C)(C)C 78642958 573561483 /nfs/dbraw/zinc/56/14/83/573561483.db2.gz FHERCIOXJMDRTO-UHFFFAOYSA-N 0 0 145.246 1.964 10 0 ADAERN C[C@@H]1CC[C@]2(C1)[C@@H]([NH3+])CC[C@@H]2C(=O)[O-] 145121504 573561499 /nfs/dbraw/zinc/56/14/99/573561499.db2.gz MZCYOJRQQYERRW-SDNRWEOFSA-N 0 0 197.278 1.615 10 0 ADAERN Cn1ccc([C@H](O)c2ccoc2)n1 83572505 573561608 /nfs/dbraw/zinc/56/16/08/573561608.db2.gz JIQMKPCCGFFAAZ-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN C[C@H]1CCCC[C@]12NC(=O)NC2=S 238440414 573561612 /nfs/dbraw/zinc/56/16/12/573561612.db2.gz CSNNNLVEPRWALP-RCOVLWMOSA-N 0 0 198.291 1.576 10 0 ADAERN COC(=O)[C@@H](C)N[C@@H](C)c1ccc[nH]1 308621082 573561539 /nfs/dbraw/zinc/56/15/39/573561539.db2.gz TZPTXPACPGOEAP-JGVFFNPUSA-N 0 0 196.250 1.227 10 0 ADAERN Cc1cc(O)c2[nH]c(C=O)cc2c1 257830588 573561552 /nfs/dbraw/zinc/56/15/52/573561552.db2.gz JHVWNSLAQBUAHI-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN CC1(C)SCCC1=O 145122058 573561556 /nfs/dbraw/zinc/56/15/56/573561556.db2.gz KHBWIGFYTFHSSZ-UHFFFAOYSA-N 0 0 130.212 1.471 10 0 ADAERN NCC(F)(F)c1ccc(Cl)o1 257830955 573561573 /nfs/dbraw/zinc/56/15/73/573561573.db2.gz JTIMBVLUVTYGGU-UHFFFAOYSA-N 0 0 181.569 1.984 10 0 ADAERN C[C@@H](c1ccccc1)c1nonc1N 75412822 573561886 /nfs/dbraw/zinc/56/18/86/573561886.db2.gz RYJBTFPZBWWZFG-ZETCQYMHSA-N 0 0 189.218 1.804 10 0 ADAERN C[C@H]1SCC[C@@H]1Nn1cccc1 235617296 573561847 /nfs/dbraw/zinc/56/18/47/573561847.db2.gz SXDGPPRVXYPHTA-BDAKNGLRSA-N 0 0 182.292 1.926 10 0 ADAERN CCCC[NH2+]C[C@@H](C(=O)[O-])C(C)C 258775172 573561883 /nfs/dbraw/zinc/56/18/83/573561883.db2.gz ZFWHHUCTOLUJSC-SECBINFHSA-N 0 0 187.283 1.733 10 0 ADAERN Cc1nc(C(C)C)[nH]c1C[NH3+] 75407059 573561905 /nfs/dbraw/zinc/56/19/05/573561905.db2.gz UQNGXMHRSJEKBK-UHFFFAOYSA-N 0 0 153.229 1.300 10 0 ADAERN COc1cscc1NC=O 145119890 573561906 /nfs/dbraw/zinc/56/19/06/573561906.db2.gz VSGPVNOMVCDYCI-UHFFFAOYSA-N 0 0 157.194 1.325 10 0 ADAERN Nc1n[nH]cc1SC[C@H]1CCCO1 236338595 573561935 /nfs/dbraw/zinc/56/19/35/573561935.db2.gz CFRWCXDDMJDYHV-ZCFIWIBFSA-N 0 0 199.279 1.263 10 0 ADAERN CCc1nn(C)c2c(O)cccc12 257830592 573561942 /nfs/dbraw/zinc/56/19/42/573561942.db2.gz JHWGIJKJKKSYKJ-UHFFFAOYSA-N 0 0 176.219 1.841 10 0 ADAERN [NH3+]C[C@@H]1CCc2c(C(=O)[O-])cccc21 257830687 573561951 /nfs/dbraw/zinc/56/19/51/573561951.db2.gz JCHMCCOPDOGNDF-ZETCQYMHSA-N 0 0 191.230 1.373 10 0 ADAERN Nc1ccc(N2CC3(CCC3)C2)cn1 86678011 573562000 /nfs/dbraw/zinc/56/20/00/573562000.db2.gz OVEWQMWFSJUMBH-UHFFFAOYSA-N 0 0 189.262 1.654 10 0 ADAERN Nc1cc(CCCO)ccc1F 259509046 573562013 /nfs/dbraw/zinc/56/20/13/573562013.db2.gz RPUNBZZRXDIEJB-UHFFFAOYSA-N 0 0 169.199 1.333 10 0 ADAERN C[C@H](O)CCCOc1ccc(O)cc1 308622464 573562014 /nfs/dbraw/zinc/56/20/14/573562014.db2.gz WZDSDPHHLWAWJA-VIFPVBQESA-N 0 0 196.246 1.932 10 0 ADAERN CSc1cc(N)c(C)cc1N 145138522 573562148 /nfs/dbraw/zinc/56/21/48/573562148.db2.gz WLYNQHLRDSGSFF-UHFFFAOYSA-N 0 0 168.265 1.881 10 0 ADAERN C[C@H]1CC[C@@H](C)N(c2nnc(N)o2)C1 235618277 573562044 /nfs/dbraw/zinc/56/20/44/573562044.db2.gz AOFRTRPIQPRMJY-NKWVEPMBSA-N 0 0 196.254 1.277 10 0 ADAERN O=C1C[C@@]23CCC[C@]2(C1)C(=O)CC3 145130672 573562077 /nfs/dbraw/zinc/56/20/77/573562077.db2.gz GVLCBPBZTUIXIZ-QWRGUYRKSA-N 0 0 178.231 1.869 10 0 ADAERN CSc1ccc2c(c1)CC(=O)N2 145191458 573562108 /nfs/dbraw/zinc/56/21/08/573562108.db2.gz TWDNDROILRIKEA-UHFFFAOYSA-N 0 0 179.244 1.903 10 0 ADAERN Nc1cc([C@H]2CCOC2)ccc1F 257830542 573562112 /nfs/dbraw/zinc/56/21/12/573562112.db2.gz JGEZAEMHCICXKZ-QMMMGPOBSA-N 0 0 181.210 1.912 10 0 ADAERN Cc1nc(C(F)(F)F)n(C)c1N 75408795 573562118 /nfs/dbraw/zinc/56/21/18/573562118.db2.gz DJNGLFNETBBXOG-UHFFFAOYSA-N 0 0 179.145 1.330 10 0 ADAERN COC(=O)/C=C\C[C@@H]1CCCC[C@@H]1O 308622137 573562167 /nfs/dbraw/zinc/56/21/67/573562167.db2.gz GPWXGRJNCWMHGC-BBYBGLFNSA-N 0 0 198.262 1.657 10 0 ADAERN Cc1cccc(C[C@@](C)(O)CO)c1 257831081 573562185 /nfs/dbraw/zinc/56/21/85/573562185.db2.gz JLLQSODTDACLGE-LLVKDONJSA-N 0 0 180.247 1.281 10 0 ADAERN CC(C)Cc1cnn(C)c1CO 257831019 573562223 /nfs/dbraw/zinc/56/22/23/573562223.db2.gz JXDYODSLFSGVHQ-UHFFFAOYSA-N 0 0 168.240 1.111 10 0 ADAERN C=C=CCC[C@@H](O)CCCO 238680686 573562226 /nfs/dbraw/zinc/56/22/26/573562226.db2.gz NBSDEYXMWNVYCC-SECBINFHSA-N 0 0 156.225 1.241 10 0 ADAERN CC(C)C[N@H+](CC(=O)[O-])[C@H]1CC[C@@H]1C 308622414 573562229 /nfs/dbraw/zinc/56/22/29/573562229.db2.gz UPCUUKDNNWAYGA-UWVGGRQHSA-N 0 0 199.294 1.828 10 0 ADAERN O=C([O-])CC[N@@H+]1CCC12CCCCC2 687980355 573562239 /nfs/dbraw/zinc/56/22/39/573562239.db2.gz SGAXOYIYNCOYHN-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN NN[C@@H](N)c1ccc2ccccc2c1 259509835 573562266 /nfs/dbraw/zinc/56/22/66/573562266.db2.gz RNFRUQMVPQLGDI-LLVKDONJSA-N 0 0 187.246 1.260 10 0 ADAERN Cc1cc(Cl)c(=O)[nH]n1 259509137 573562285 /nfs/dbraw/zinc/56/22/85/573562285.db2.gz RSUZODPDIVAOPU-UHFFFAOYSA-N 0 0 144.561 1.144 10 0 ADAERN CCC(CC)CNC(=O)CC(C)=O 130373892 573562324 /nfs/dbraw/zinc/56/23/24/573562324.db2.gz DDYXJSXNFXCWKD-UHFFFAOYSA-N 0 0 185.267 1.518 10 0 ADAERN Cc1ccncc1OC1CC1 95726558 573562394 /nfs/dbraw/zinc/56/23/94/573562394.db2.gz YIWQRHQKEHQUMJ-UHFFFAOYSA-N 0 0 149.193 1.931 10 0 ADAERN Cc1nnc(NCC(F)(F)F)s1 83583765 573562409 /nfs/dbraw/zinc/56/24/09/573562409.db2.gz YGDXVJYFUZTMDG-UHFFFAOYSA-N 0 0 197.185 1.821 10 0 ADAERN CCc1nnsc1C1(O)CC1 83582584 573562416 /nfs/dbraw/zinc/56/24/16/573562416.db2.gz YMSZNXLYAPJTQA-UHFFFAOYSA-N 0 0 170.237 1.082 10 0 ADAERN C[C@@H](O)[C@@](C)(F)C(C)(F)F 238440382 573562459 /nfs/dbraw/zinc/56/24/59/573562459.db2.gz MNPJXNLNCKVDPO-RFZPGFLSSA-N 0 0 156.147 1.751 10 0 ADAERN COc1cc(O)c(F)c(C2(O)CC2)c1 258061941 573562464 /nfs/dbraw/zinc/56/24/64/573562464.db2.gz LOLRGWYKEYYRLN-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN CC(=O)C[C@H]1CCO[C@@H](C)C1 107399446 573562486 /nfs/dbraw/zinc/56/24/86/573562486.db2.gz MWGSHUDWEGMYTK-DTWKUNHWSA-N 0 0 156.225 1.781 10 0 ADAERN COCc1cccc(OC)c1CON 258061801 573562500 /nfs/dbraw/zinc/56/25/00/573562500.db2.gz LKSJNXCVJLHUKA-UHFFFAOYSA-N 0 0 197.234 1.232 10 0 ADAERN CC[C@@H]1SCC[C@H]1C(=O)OC 259614211 573562510 /nfs/dbraw/zinc/56/25/10/573562510.db2.gz FGSGAYRRIBEWQQ-RQJHMYQMSA-N 0 0 174.265 1.691 10 0 ADAERN CC(=O)O/C=C1/C=C[C@H]2CC(=O)[C@@H]12 145124797 573562547 /nfs/dbraw/zinc/56/25/47/573562547.db2.gz XGJHTNOPJFEWFD-ZXZIFAGHSA-N 0 0 178.187 1.208 10 0 ADAERN O[C@@H]1COC[C@H]1c1cccc(Cl)c1 687984280 573562557 /nfs/dbraw/zinc/56/25/57/573562557.db2.gz XVJJWSVTVXRBMD-VHSXEESVSA-N 0 0 198.649 1.815 10 0 ADAERN CCc1nnsc1-c1n[nH]c(C)n1 83581803 573562560 /nfs/dbraw/zinc/56/25/60/573562560.db2.gz DXSJGIUSKUUSDB-UHFFFAOYSA-N 0 0 195.251 1.194 10 0 ADAERN C/C=C\C[C@]1(C(=O)OC)CCC[C@H]1O 308621457 573562566 /nfs/dbraw/zinc/56/25/66/573562566.db2.gz GBEHCSBSRPIAKW-YUPSMKLTSA-N 0 0 198.262 1.657 10 0 ADAERN O[C@@H]1COC[C@@H]1c1cccc(Cl)c1 687984278 573562576 /nfs/dbraw/zinc/56/25/76/573562576.db2.gz XVJJWSVTVXRBMD-NXEZZACHSA-N 0 0 198.649 1.815 10 0 ADAERN COc1ccccc1[C@H](C)ON 259509136 573562586 /nfs/dbraw/zinc/56/25/86/573562586.db2.gz RLPVYNBNGGUUAM-ZETCQYMHSA-N 0 0 167.208 1.647 10 0 ADAERN CO[C@H](C)CC(=O)OCC1(C)CC1 393535774 573562588 /nfs/dbraw/zinc/56/25/88/573562588.db2.gz DCJRUCPUVWCTPN-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN CCCc1nnsc1C1(O)CC1 83582580 573562609 /nfs/dbraw/zinc/56/26/09/573562609.db2.gz AETFFSJALBZWEQ-UHFFFAOYSA-N 0 0 184.264 1.472 10 0 ADAERN CC[C@H](C)C(=O)N[C@H]1C[C@@H](OC)C1 393535766 573562610 /nfs/dbraw/zinc/56/26/10/573562610.db2.gz CZQQCEJCRVYXMY-XHNCKOQMSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)(C)c1nnsc1CO 83581901 573562629 /nfs/dbraw/zinc/56/26/29/573562629.db2.gz ZPOPHCYFWHHTSK-UHFFFAOYSA-N 0 0 172.253 1.328 10 0 ADAERN CCC/C=C/C(=C\CCO)C(=O)OC 308622828 573562638 /nfs/dbraw/zinc/56/26/38/573562638.db2.gz HEUMBAUMAYUNLH-RMTFUQJTSA-N 0 0 198.262 1.825 10 0 ADAERN CC(=O)C[C@@H]1CCO[C@H](C)C1 107399440 573562662 /nfs/dbraw/zinc/56/26/62/573562662.db2.gz MWGSHUDWEGMYTK-BDAKNGLRSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)(C)c1nnsc1C=O 83582601 573562673 /nfs/dbraw/zinc/56/26/73/573562673.db2.gz YRCBMSSMTUEVSQ-UHFFFAOYSA-N 0 0 170.237 1.648 10 0 ADAERN Cc1ccc(F)c(O)c1[C@@H](C)CO 258061783 573562708 /nfs/dbraw/zinc/56/27/08/573562708.db2.gz LJOWZESLPVVRLF-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN CCCC[NH2+]CC[C@@H](C)C(=O)[O-] 258781698 573562712 /nfs/dbraw/zinc/56/27/12/573562712.db2.gz ZTAZZZUVYRJNGT-MRVPVSSYSA-N 0 0 173.256 1.487 10 0 ADAERN CC(C)(C)c1nnsc1C1(O)CC1 83582583 573562717 /nfs/dbraw/zinc/56/27/17/573562717.db2.gz KLMBFXNIYGYYTK-UHFFFAOYSA-N 0 0 198.291 1.817 10 0 ADAERN C[C@@H](O)CCCOc1ccc(O)cc1 308622458 573562734 /nfs/dbraw/zinc/56/27/34/573562734.db2.gz WZDSDPHHLWAWJA-SECBINFHSA-N 0 0 196.246 1.932 10 0 ADAERN C[C@H]1CNC(c2ccccc2)=NC1=O 238440012 573562743 /nfs/dbraw/zinc/56/27/43/573562743.db2.gz VUYDYLAYPVSCMF-QMMMGPOBSA-N 0 0 188.230 1.199 10 0 ADAERN Cc1ccc(F)c(O)c1[C@H](C)CO 258061781 573562753 /nfs/dbraw/zinc/56/27/53/573562753.db2.gz LJOWZESLPVVRLF-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN O=Cc1nnsc1C1CC1 107398730 573562761 /nfs/dbraw/zinc/56/27/61/573562761.db2.gz AUHFIMXYADDOPO-UHFFFAOYSA-N 0 0 154.194 1.228 10 0 ADAERN OCc1cnc(OCCC2CC2)nc1 308621498 573563514 /nfs/dbraw/zinc/56/35/14/573563514.db2.gz UCARLNOTCXXKFX-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 ADAERN Cc1nc(C(C)C)oc1C(=O)CN 257831098 573564207 /nfs/dbraw/zinc/56/42/07/573564207.db2.gz JMCYGCSFTQLALX-UHFFFAOYSA-N 0 0 182.223 1.248 10 0 ADAERN CC(C)Cc1cc(N)cc(=O)n1C 257831384 573563003 /nfs/dbraw/zinc/56/30/03/573563003.db2.gz JPRMNVJLIKQRET-UHFFFAOYSA-N 0 0 180.251 1.166 10 0 ADAERN COC(=O)/C(=C\CO)CCC=C(C)C 308622099 573563005 /nfs/dbraw/zinc/56/30/05/573563005.db2.gz GIHPVWFMCHDDTA-YFHOEESVSA-N 0 0 198.262 1.825 10 0 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198.262 1.657 10 0 ADAERN COC[C@@H]1COc2c(N)cccc2C1 257831215 573563102 /nfs/dbraw/zinc/56/31/02/573563102.db2.gz JHOVGTNDNWLGQY-MRVPVSSYSA-N 0 0 193.246 1.466 10 0 ADAERN COC(=O)C[C@@H]1CCCO[C@@H]1C 259511534 573563112 /nfs/dbraw/zinc/56/31/12/573563112.db2.gz BZLQQGMKYKSKCF-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN CC1(C[C@@H]2COC[C@H]2O)CCCC1 687984311 573563176 /nfs/dbraw/zinc/56/31/76/573563176.db2.gz XYIKPTDVWLXLEY-NXEZZACHSA-N 0 0 184.279 1.964 10 0 ADAERN CC1(C)CC(=O)c2cc(C=O)[nH]c2C1 145193671 573563184 /nfs/dbraw/zinc/56/31/84/573563184.db2.gz JGBXFFMLIAKTIO-UHFFFAOYSA-N 0 0 191.230 1.982 10 0 ADAERN OC[C@H]1CC[C@@H]1c1cccc(O)c1 257831114 573563194 /nfs/dbraw/zinc/56/31/94/573563194.db2.gz JMOLPWIHMZBMDX-MWLCHTKSSA-N 0 0 178.231 1.878 10 0 ADAERN COC(=O)N/C=C/c1ccccc1O 145130891 573563199 /nfs/dbraw/zinc/56/31/99/573563199.db2.gz LHWGXWLHEAWOBW-VOTSOKGWSA-N 0 0 193.202 1.719 10 0 ADAERN Cc1csc(C)c1NC(=O)CO 59355170 573563231 /nfs/dbraw/zinc/56/32/31/573563231.db2.gz 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COc1cc(O)cc(C)c1C1(O)CC1 258061833 573564389 /nfs/dbraw/zinc/56/43/89/573564389.db2.gz LMCKFERJFDIDPW-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN O=Cc1oncc1C1CC1 257831482 573564394 /nfs/dbraw/zinc/56/43/94/573564394.db2.gz JZTOBOJUZXEEKQ-UHFFFAOYSA-N 0 0 137.138 1.365 10 0 ADAERN C[C@H]1CC(=O)c2cccc(O)c2N1 257831369 573564407 /nfs/dbraw/zinc/56/44/07/573564407.db2.gz JPBWTMFZZMNESM-LURJTMIESA-N 0 0 177.203 1.779 10 0 ADAERN CC1(C)C=CC=C[C@@H]1CC(N)=O 145225425 573564503 /nfs/dbraw/zinc/56/45/03/573564503.db2.gz RPPZZMRRZPGWHZ-MRVPVSSYSA-N 0 0 165.236 1.630 10 0 ADAERN C[C@H]1N=Cc2ccccc2NC1=O 145256447 573564581 /nfs/dbraw/zinc/56/45/81/573564581.db2.gz XGPXQTBRRIKIIS-SSDOTTSWSA-N 0 0 174.203 1.446 10 0 ADAERN NC(=O)Nc1coc2ccccc12 78917282 573564583 /nfs/dbraw/zinc/56/45/83/573564583.db2.gz LRSNVYGRZAFKQZ-UHFFFAOYSA-N 0 0 176.175 1.923 10 0 ADAERN COC[C@H]1COc2c(N)cccc2C1 257831216 573564595 /nfs/dbraw/zinc/56/45/95/573564595.db2.gz JHOVGTNDNWLGQY-QMMMGPOBSA-N 0 0 193.246 1.466 10 0 ADAERN CC(=O)[C@@]1(C)C(=O)OCC[C@H]1C 238432757 573564616 /nfs/dbraw/zinc/56/46/16/573564616.db2.gz SHIWZSWGHCLZDU-MUWHJKNJSA-N 0 0 170.208 1.165 10 0 ADAERN O=CNc1ccc2ncsc2c1 145237368 573564635 /nfs/dbraw/zinc/56/46/35/573564635.db2.gz HFDHWTKHBXFKQJ-UHFFFAOYSA-N 0 0 178.216 1.865 10 0 ADAERN C[C@@H]1CC(=O)c2cccc(O)c2N1 257831370 573564648 /nfs/dbraw/zinc/56/46/48/573564648.db2.gz JPBWTMFZZMNESM-ZCFIWIBFSA-N 0 0 177.203 1.779 10 0 ADAERN CC(C)C[C@H](CO)Cc1nncn1C 689815072 573564658 /nfs/dbraw/zinc/56/46/58/573564658.db2.gz ROPJCNZICWBASR-VIFPVBQESA-N 0 0 197.282 1.012 10 0 ADAERN C=C/C(=C/CO)CO[C@H]1CCCCO1 308622791 573564692 /nfs/dbraw/zinc/56/46/92/573564692.db2.gz GXZGLOOAOCCNAX-YAEJEKNGSA-N 0 0 198.262 1.634 10 0 ADAERN C[C@H](O)/C=C/C1(O)CCCCC1 238432254 573564695 /nfs/dbraw/zinc/56/46/95/573564695.db2.gz RJEOJNMFJGYMMA-QRJSTWQJSA-N 0 0 170.252 1.619 10 0 ADAERN C/C=C\CN[C@H](CC)c1noc(C)n1 308621544 573564705 /nfs/dbraw/zinc/56/47/05/573564705.db2.gz UDZGRMNHSNZPSB-XTULLQBASA-N 0 0 195.266 1.995 10 0 ADAERN C[C@H]1C[C@@]1(O)c1cncs1 235619309 573564763 /nfs/dbraw/zinc/56/47/63/573564763.db2.gz YBPXLOCVBPUDPO-FSPLSTOPSA-N 0 0 155.222 1.371 10 0 ADAERN C[C@@H](C[C@H]1CCCCC1=O)C(N)=O 145206372 573564774 /nfs/dbraw/zinc/56/47/74/573564774.db2.gz XBBTWWNVVODMLS-JGVFFNPUSA-N 0 0 183.251 1.257 10 0 ADAERN C[C@@H](O)c1cccc2c1CC(=O)N2 258062270 573564775 /nfs/dbraw/zinc/56/47/75/573564775.db2.gz SRGSVKRGHWTZMR-ZCFIWIBFSA-N 0 0 177.203 1.235 10 0 ADAERN CO[C@@H](CO)CCc1ccccc1C 257831598 573564777 /nfs/dbraw/zinc/56/47/77/573564777.db2.gz JMOHDVDTVLQALM-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN O=C1CCOc2c(Cl)ccnc21 145220346 573564791 /nfs/dbraw/zinc/56/47/91/573564791.db2.gz QABFUPSAEIKECF-UHFFFAOYSA-N 0 0 183.594 1.700 10 0 ADAERN C[C@@H]([NH3+])Cc1ccc(F)cc1C(=O)[O-] 238432438 573564799 /nfs/dbraw/zinc/56/47/99/573564799.db2.gz QGEBDHXSCGYJLV-ZCFIWIBFSA-N 0 0 197.209 1.414 10 0 ADAERN O=Cc1conc1-c1cccc(O)c1 75420919 573564828 /nfs/dbraw/zinc/56/48/28/573564828.db2.gz GTFUVQCTOWQHJO-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN C[C@]1(C2CC[NH2+]CC2)C[C@@H]1C(=O)[O-] 259511473 573564847 /nfs/dbraw/zinc/56/48/47/573564847.db2.gz ZQAHJUNLEOELKL-PSASIEDQSA-N 0 0 183.251 1.097 10 0 ADAERN Cc1onc(Br)c1N 257831383 573564852 /nfs/dbraw/zinc/56/48/52/573564852.db2.gz JPQPANOTZKEHBJ-UHFFFAOYSA-N 0 0 177.001 1.328 10 0 ADAERN C[C@H]([NH3+])c1ccccc1CC(=O)[O-] 238432527 573564859 /nfs/dbraw/zinc/56/48/59/573564859.db2.gz IZIWHIYPQNCBTL-ZETCQYMHSA-N 0 0 179.219 1.333 10 0 ADAERN COc1ncccc1N(C)C1CC1 238432585 573564863 /nfs/dbraw/zinc/56/48/63/573564863.db2.gz HMKFIGUQMCOJBT-UHFFFAOYSA-N 0 0 178.235 1.689 10 0 ADAERN C[C@H](O)CCCc1ccoc1 238432352 573564870 /nfs/dbraw/zinc/56/48/70/573564870.db2.gz PIOWKMZWQDITKT-QMMMGPOBSA-N 0 0 154.209 1.983 10 0 ADAERN C[C@@H]1CCC(=O)C(C)(C)O1 238432388 573564874 /nfs/dbraw/zinc/56/48/74/573564874.db2.gz TUQAPNHQGVBYAG-ZCFIWIBFSA-N 0 0 142.198 1.533 10 0 ADAERN CSc1ccccc2nc(N)nc1-2 238432919 573564890 /nfs/dbraw/zinc/56/48/90/573564890.db2.gz WIDYJFBXWXJZBR-UHFFFAOYSA-N 0 0 191.259 1.886 10 0 ADAERN CC1=CC[C@H]2CC(=O)C[C@@H]12 224323907 573564908 /nfs/dbraw/zinc/56/49/08/573564908.db2.gz RHIDXPKEFXJKCP-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN CC(=O)[C@@H](C)[C@H](C)n1ccnn1 238432901 573564909 /nfs/dbraw/zinc/56/49/09/573564909.db2.gz QFMGBBYVKQZFQH-BQBZGAKWSA-N 0 0 167.212 1.064 10 0 ADAERN CC(=O)O[C@H]1CCC(=O)[C@H](C)C1 238432775 573564914 /nfs/dbraw/zinc/56/49/14/573564914.db2.gz ZQOCZAZUZJQPOD-SVRRBLITSA-N 0 0 170.208 1.307 10 0 ADAERN COC(=O)[C@@H](C)C/C=C/C=C(/C)CO 308622809 573564949 /nfs/dbraw/zinc/56/49/49/573564949.db2.gz HAMXBTQCENWNSJ-TUNGQMCRSA-N 0 0 198.262 1.680 10 0 ADAERN C[C@H](CO)c1cccc2c1OCOC2 258061978 573564956 /nfs/dbraw/zinc/56/49/56/573564956.db2.gz LPUUTCYRHQWYEB-MRVPVSSYSA-N 0 0 194.230 1.649 10 0 ADAERN Cc1nn(C)c2c1[C@H](C)CCN2 238432283 573564984 /nfs/dbraw/zinc/56/49/84/573564984.db2.gz WRYXJTSUDKIRCQ-ZCFIWIBFSA-N 0 0 165.240 1.648 10 0 ADAERN C[C@@H]1CCC(=O)CCC(=O)O1 238433052 573564992 /nfs/dbraw/zinc/56/49/92/573564992.db2.gz GOYLJUGZNXJFFR-ZCFIWIBFSA-N 0 0 156.181 1.061 10 0 ADAERN C[C@H]1C=CCC(=O)CC1 238433033 573565001 /nfs/dbraw/zinc/56/50/01/573565001.db2.gz QUDNKBFEHLXUAO-ZETCQYMHSA-N 0 0 124.183 1.932 10 0 ADAERN Cc1ccc(O)cc1[C@H]1C=CC(=O)O1 145204379 573565020 /nfs/dbraw/zinc/56/50/20/573565020.db2.gz NIBCTJNODGVZKX-SNVBAGLBSA-N 0 0 190.198 1.855 10 0 ADAERN O=Cc1nc(-c2cccc(O)c2)co1 257831443 573565054 /nfs/dbraw/zinc/56/50/54/573565054.db2.gz JKEXRODENOAGKK-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CN(C#N)c1ncc(-c2ccc[nH]2)cn1 259614567 573565063 /nfs/dbraw/zinc/56/50/63/573565063.db2.gz XFGDVVUUPBPVQG-UHFFFAOYSA-N 0 0 199.217 1.389 10 0 ADAERN COc1cc(CCO)c(C)c(OC)c1 258061987 573565068 /nfs/dbraw/zinc/56/50/68/573565068.db2.gz LPWNMSZDNCFYNZ-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN COCNc1cc(OC)ccc1OC 258778948 573565074 /nfs/dbraw/zinc/56/50/74/573565074.db2.gz ZNWIWKUSSINCBI-UHFFFAOYSA-N 0 0 197.234 1.720 10 0 ADAERN CCC[N@@H+]1CC[C@@H]2C[C@]2(C(=O)[O-])C1 75421719 573565100 /nfs/dbraw/zinc/56/51/00/573565100.db2.gz JTIXWXQLKVYGAE-SCZZXKLOSA-N 0 0 183.251 1.193 10 0 ADAERN C[C@H](CO)C[C@H]1CCCC[C@H]1O 238432300 573565105 /nfs/dbraw/zinc/56/51/05/573565105.db2.gz LHRAHHJQRGDHTF-IVZWLZJFSA-N 0 0 172.268 1.556 10 0 ADAERN CC(=O)Sc1nc(C)c[nH]1 95795015 573565110 /nfs/dbraw/zinc/56/51/10/573565110.db2.gz KCBZGKZLJOOKTG-UHFFFAOYSA-N 0 0 156.210 1.357 10 0 ADAERN CCCOC[C@@H](O)C1=COCCC1 233229802 573565114 /nfs/dbraw/zinc/56/51/14/573565114.db2.gz UWLTUDRFPNOCQD-SNVBAGLBSA-N 0 0 186.251 1.468 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683291 573565115 /nfs/dbraw/zinc/56/51/15/573565115.db2.gz WCPAIXBZPVDXOK-QMMMGPOBSA-N 0 0 185.267 1.437 10 0 ADAERN CSC[C@@H](CO)C(C)C 258063398 573565135 /nfs/dbraw/zinc/56/51/35/573565135.db2.gz IGPQKCQVSLXNEH-SSDOTTSWSA-N 0 0 148.271 1.614 10 0 ADAERN c1ccc(N2Cc3cncnc3C2)nc1 585332228 573565168 /nfs/dbraw/zinc/56/51/68/573565168.db2.gz NLBQFFDQXCKCGC-UHFFFAOYSA-N 0 0 198.229 1.392 10 0 ADAERN COC[C@@](O)(Cc1ccco1)C1CC1 130502772 573565198 /nfs/dbraw/zinc/56/51/98/573565198.db2.gz LIDJDGGGUSNQQU-NSHDSACASA-N 0 0 196.246 1.610 10 0 ADAERN CCc1c(Cl)c(N)nn1C 107400549 573566510 /nfs/dbraw/zinc/56/65/10/573566510.db2.gz LYQLDKXWQIGTSA-UHFFFAOYSA-N 0 0 159.620 1.218 10 0 ADAERN Cc1cc(C[C@H](C)CO)ccc1O 238432542 573566511 /nfs/dbraw/zinc/56/65/11/573566511.db2.gz ZEXYUUSPBDVANA-QMMMGPOBSA-N 0 0 180.247 1.872 10 0 ADAERN CC/C=C/C(=O)N=c1sccn1C 393537241 573566759 /nfs/dbraw/zinc/56/67/59/573566759.db2.gz JDGPWOGUMOQCHE-MIWUCIRRSA-N 0 0 196.275 1.480 10 0 ADAERN COc1c(C(F)F)c[nH+]c(N)c1O 238432443 573566762 /nfs/dbraw/zinc/56/67/62/573566762.db2.gz PGBJYKBIAIPMPA-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CC1(C)CC[C@@H]2CCC(=O)[C@]21O 224328054 573566764 /nfs/dbraw/zinc/56/67/64/573566764.db2.gz QFRRZOHXZWLFOU-OIBJUYFYSA-N 0 0 168.236 1.517 10 0 ADAERN Cn1nnc(N)c1-c1cccc(F)c1 257831562 573566771 /nfs/dbraw/zinc/56/67/71/573566771.db2.gz JLNWGRRPDLYJDO-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN C[C@H]1CC[C@H](C(C)(C)C(N)=O)C1 238432337 573566169 /nfs/dbraw/zinc/56/61/69/573566169.db2.gz KRVYLUCSVOUWSS-YUMQZZPRSA-N 0 0 169.268 1.934 10 0 ADAERN NC(=[NH2+])[C@@H](F)C1CCCC1 259511382 573566171 /nfs/dbraw/zinc/56/61/71/573566171.db2.gz ZOHQXZTVCOPRPU-LURJTMIESA-N 0 0 144.193 1.451 10 0 ADAERN CCc1[nH]nc(C=O)c1Cl 107400190 573566181 /nfs/dbraw/zinc/56/61/81/573566181.db2.gz NPBVASTXYAHQAP-UHFFFAOYSA-N 0 0 158.588 1.438 10 0 ADAERN Cc1ccc(O)c(C[C@H](C)CO)c1 238432486 573566098 /nfs/dbraw/zinc/56/60/98/573566098.db2.gz FZBRNIZZUWRTRY-VIFPVBQESA-N 0 0 180.247 1.872 10 0 ADAERN Nc1[nH]c(C2CCCC2)c(C(=O)[O-])[nH+]1 257831545 573566101 /nfs/dbraw/zinc/56/61/01/573566101.db2.gz JLFCPEGVZRGWJU-UHFFFAOYSA-N 0 0 195.222 1.348 10 0 ADAERN CC(C)[C@H]1CC[C@@H](C)CNC1=O 145610604 573566123 /nfs/dbraw/zinc/56/61/23/573566123.db2.gz XTGVNDCCKLFHJY-RKDXNWHRSA-N 0 0 169.268 1.805 10 0 ADAERN CC/C=C\C(=O)NCc1ccc[nH]1 393536841 573566137 /nfs/dbraw/zinc/56/61/37/573566137.db2.gz GZSQKSJPNODHLR-UTCJRWHESA-N 0 0 178.235 1.597 10 0 ADAERN C[C@H](CO)c1cccc2[nH]cnc12 258064429 573566777 /nfs/dbraw/zinc/56/67/77/573566777.db2.gz TTXHZZYZAJYFCD-SSDOTTSWSA-N 0 0 176.219 1.659 10 0 ADAERN OC[C@@H]1CCNc2c(O)cccc21 257831419 573566779 /nfs/dbraw/zinc/56/67/79/573566779.db2.gz JQGLLKIOUKAQRY-ZETCQYMHSA-N 0 0 179.219 1.284 10 0 ADAERN Nc1cccc([C@@H](O)c2ccoc2)c1 236355509 573566242 /nfs/dbraw/zinc/56/62/42/573566242.db2.gz JPJNKRSGLBYQCS-LLVKDONJSA-N 0 0 189.214 1.944 10 0 ADAERN C[NH+](C)[C@@]1(CO)C=Cc2sccc21 145255247 573566248 /nfs/dbraw/zinc/56/62/48/573566248.db2.gz WARNFXKDRIXASY-SNVBAGLBSA-N 0 0 195.287 1.524 10 0 ADAERN COC[C@@](O)(Cc1ccoc1)C1CC1 130502378 573566269 /nfs/dbraw/zinc/56/62/69/573566269.db2.gz LUTJFXMVFLLAEL-NSHDSACASA-N 0 0 196.246 1.610 10 0 ADAERN CCCc1csc2nc(N)nn12 259112995 573566273 /nfs/dbraw/zinc/56/62/73/573566273.db2.gz IDMYVGPLHBFGTD-UHFFFAOYSA-N 0 0 182.252 1.326 10 0 ADAERN CC/C=C\C(=O)N=c1sccn1C 393537239 573566418 /nfs/dbraw/zinc/56/64/18/573566418.db2.gz JDGPWOGUMOQCHE-LRGJRNGESA-N 0 0 196.275 1.480 10 0 ADAERN Cc1cccc(CC[C@](C)(O)CO)c1 257831229 573566279 /nfs/dbraw/zinc/56/62/79/573566279.db2.gz JILLMPYVPJHHFD-LBPRGKRZSA-N 0 0 194.274 1.671 10 0 ADAERN Nc1c(Cl)noc1C(F)(F)F 257831438 573566286 /nfs/dbraw/zinc/56/62/86/573566286.db2.gz JQVDKDNOVDSZQY-UHFFFAOYSA-N 0 0 186.520 1.929 10 0 ADAERN CCCSC[NH2+]C 145240793 573566298 /nfs/dbraw/zinc/56/62/98/573566298.db2.gz AXCIDMHMEQYYRV-UHFFFAOYSA-N 0 0 119.233 1.307 10 0 ADAERN COC(=O)C[C@@H](O)/C=C\c1ccco1 308624257 573566316 /nfs/dbraw/zinc/56/63/16/573566316.db2.gz IWYXIWZVLGMVGF-LGYSABEFSA-N 0 0 196.202 1.217 10 0 ADAERN COCc1noc(N)c1Cl 107401226 573566321 /nfs/dbraw/zinc/56/63/21/573566321.db2.gz WQHBJHJQBNODQI-UHFFFAOYSA-N 0 0 162.576 1.057 10 0 ADAERN CCC[C@H](NCC(=O)OCC)C1CC1 388694728 573566328 /nfs/dbraw/zinc/56/63/28/573566328.db2.gz LVWOICNPSAEYNG-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN C[C@@]12CCOC[C@@H](C1)C(=O)C2 224330453 573566359 /nfs/dbraw/zinc/56/63/59/573566359.db2.gz DOAMITABPSDCCG-VXNVDRBHSA-N 0 0 154.209 1.392 10 0 ADAERN CCCC[N@H+](C)C1CC(C(=O)[O-])C1 259112695 573566373 /nfs/dbraw/zinc/56/63/73/573566373.db2.gz AZGOKEGKXZVAFX-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN OC[C@H]1CC[C@H]1c1cccc(O)c1 257831112 573566386 /nfs/dbraw/zinc/56/63/86/573566386.db2.gz JMOLPWIHMZBMDX-KOLCDFICSA-N 0 0 178.231 1.878 10 0 ADAERN CC(C)[C@@H]1C=C(C(=O)[O-])CC[NH2+]1 258501268 573566412 /nfs/dbraw/zinc/56/64/12/573566412.db2.gz KYCIQXUEAUARIC-QMMMGPOBSA-N 0 0 169.224 1.015 10 0 ADAERN CC[N@@H+]1C[C@@H](CC(=O)[O-])CCC1(C)C 259513853 573566429 /nfs/dbraw/zinc/56/64/29/573566429.db2.gz USXJJGHJUOTRHL-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Nc1c2c(nn1C1CCC1)CCC2 257831120 573566434 /nfs/dbraw/zinc/56/64/34/573566434.db2.gz JMQUWEVXGDETQK-UHFFFAOYSA-N 0 0 177.251 1.679 10 0 ADAERN O=Cc1cccc(CF)c1O 211918961 573566446 /nfs/dbraw/zinc/56/64/46/573566446.db2.gz JFDLQJQHGZVIHH-UHFFFAOYSA-N 0 0 154.140 1.674 10 0 ADAERN COCCNc1cc(C)ns1 145225581 573566448 /nfs/dbraw/zinc/56/64/48/573566448.db2.gz VFEPCQBVORINKS-UHFFFAOYSA-N 0 0 172.253 1.510 10 0 ADAERN CCc1nncc(Cl)n1 259113036 573566454 /nfs/dbraw/zinc/56/64/54/573566454.db2.gz IEHKENAPOFKYCN-UHFFFAOYSA-N 0 0 143.577 1.087 10 0 ADAERN CCc1cc(O)cc(CO)c1O 224326338 573566473 /nfs/dbraw/zinc/56/64/73/573566473.db2.gz VPYHQJPFEMKROC-UHFFFAOYSA-N 0 0 168.192 1.153 10 0 ADAERN Cc1ccc(O)cc1[C@@H]1C=CC(=O)O1 145204203 573566483 /nfs/dbraw/zinc/56/64/83/573566483.db2.gz NIBCTJNODGVZKX-JTQLQIEISA-N 0 0 190.198 1.855 10 0 ADAERN C[C@]1(O)CNc2cccc(O)c2C1 257831407 573566527 /nfs/dbraw/zinc/56/65/27/573566527.db2.gz JPZPCRDYQVKUPS-SNVBAGLBSA-N 0 0 179.219 1.111 10 0 ADAERN C/C=C/C=C/C=C/C=C\[C@H](O)[C@@H](C)O 308625347 573566534 /nfs/dbraw/zinc/56/65/34/573566534.db2.gz KNQUARMVFDSPEZ-MCXXPDMWSA-N 0 0 194.274 1.973 10 0 ADAERN C[C@@H]1CCC(=O)CCCO1 238433092 573566537 /nfs/dbraw/zinc/56/65/37/573566537.db2.gz MDVZDDHWNCCLSO-SSDOTTSWSA-N 0 0 142.198 1.535 10 0 ADAERN CC[C@@](C)([NH2+]CC=C1CCC1)C(N)=O 308626069 573566581 /nfs/dbraw/zinc/56/65/81/573566581.db2.gz WJMORJJPVOHAIU-LLVKDONJSA-N 0 0 196.294 1.340 10 0 ADAERN C[C@@H](O)[C@H]1C=C=CC=C1 238432789 573566591 /nfs/dbraw/zinc/56/65/91/573566591.db2.gz IWXXIVVWDJRHAS-HTQZYQBOSA-N 0 0 122.167 1.265 10 0 ADAERN CC1=CC[C@@H]2CC(=O)C[C@@H]12 224323944 573566594 /nfs/dbraw/zinc/56/65/94/573566594.db2.gz RHIDXPKEFXJKCP-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN O=C1CCCC=CC[C@@H](CCCO)O1 308624347 573566609 /nfs/dbraw/zinc/56/66/09/573566609.db2.gz JEMUUMGAYYHFER-JTQLQIEISA-N 0 0 198.262 1.801 10 0 ADAERN CCOC(=O)C=C(N)C(C)C 135814124 573566634 /nfs/dbraw/zinc/56/66/34/573566634.db2.gz AEXYGJRYLCZIJM-FNORWQNLSA-N 0 0 157.213 1.048 10 0 ADAERN C[C@@H]1Oc2nc(Cl)ccc2NC1=O 238432777 573566636 /nfs/dbraw/zinc/56/66/36/573566636.db2.gz GEOPDSWTHWPTHG-BYPYZUCNSA-N 0 0 198.609 1.454 10 0 ADAERN COC[C@](O)(Cc1ccoc1)C(C)C 130501432 573566650 /nfs/dbraw/zinc/56/66/50/573566650.db2.gz AHLFCHNXLGHSGI-LLVKDONJSA-N 0 0 198.262 1.856 10 0 ADAERN COc1c(C(F)F)[nH]cc(N)c1=O 238432421 573566654 /nfs/dbraw/zinc/56/66/54/573566654.db2.gz ZQFGJKRLZAAKQT-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CO[C@@H]1CCc2cc(N)ccc2C1 257831374 573566671 /nfs/dbraw/zinc/56/66/71/573566671.db2.gz JPHKEBUFINVTBB-LLVKDONJSA-N 0 0 177.247 1.773 10 0 ADAERN C[C@H](O)C1(O)CCCCCC1 145216101 573566711 /nfs/dbraw/zinc/56/67/11/573566711.db2.gz LBZZTCPIVQLFCU-QMMMGPOBSA-N 0 0 158.241 1.453 10 0 ADAERN Cc1cccc(CC[C@@](C)(O)CO)c1 257831228 573566718 /nfs/dbraw/zinc/56/67/18/573566718.db2.gz JILLMPYVPJHHFD-GFCCVEGCSA-N 0 0 194.274 1.671 10 0 ADAERN C[C@H](C[NH2+]C(C)(C)C)CC(=O)[O-] 258778975 573566720 /nfs/dbraw/zinc/56/67/20/573566720.db2.gz ZOZKXBJEJDZUIQ-ZETCQYMHSA-N 0 0 173.256 1.485 10 0 ADAERN CC[C@H](C)[C@H](O)C(C)(C)[C@H](C)O 394355291 573566730 /nfs/dbraw/zinc/56/67/30/573566730.db2.gz UEQBOCJXMAIPQH-CIUDSAMLSA-N 0 0 174.284 1.800 10 0 ADAERN CC(C)(C)[C@@](C)(C[NH3+])C(=O)[O-] 107400277 573566743 /nfs/dbraw/zinc/56/67/43/573566743.db2.gz URBYHFGGRCFDEJ-QMMMGPOBSA-N 0 0 159.229 1.082 10 0 ADAERN Cc1ncc([C@]2(O)C[C@@H]2C)s1 235619221 573566745 /nfs/dbraw/zinc/56/67/45/573566745.db2.gz SXWOHVFOKYDXHX-XNCJUZBTSA-N 0 0 169.249 1.679 10 0 ADAERN CC1=C(CCO)C(C)(C)[C@@H](O)CC1 145254454 573566787 /nfs/dbraw/zinc/56/67/87/573566787.db2.gz JJGJBFSMPODNME-JTQLQIEISA-N 0 0 184.279 1.866 10 0 ADAERN CO[C@](C)(CO)c1cccc(F)c1 257831092 573566800 /nfs/dbraw/zinc/56/68/00/573566800.db2.gz JLXPXXIJBAIFBZ-SNVBAGLBSA-N 0 0 184.210 1.680 10 0 ADAERN CC(C)c1cnc2nnc(C=O)n2c1 257831204 573566821 /nfs/dbraw/zinc/56/68/21/573566821.db2.gz JHBSRYOKEKIQSZ-UHFFFAOYSA-N 0 0 190.206 1.060 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCCC[C@@H]1C 83611796 573566845 /nfs/dbraw/zinc/56/68/45/573566845.db2.gz LBXDHISZFJOTPY-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN Fc1ccnc(C[C@H]2CCCCO2)n1 689972365 573566838 /nfs/dbraw/zinc/56/68/38/573566838.db2.gz SHCPGKXOGGVJRD-MRVPVSSYSA-N 0 0 196.225 1.727 10 0 ADAERN CCc1onc(OC)c1C 224321851 573566875 /nfs/dbraw/zinc/56/68/75/573566875.db2.gz QUIGULFOLOKZJT-UHFFFAOYSA-N 0 0 141.170 1.554 10 0 ADAERN C[C@H]1C(=O)CC(C)(C)[NH2+]C1(C)C 238433094 573566877 /nfs/dbraw/zinc/56/68/77/573566877.db2.gz JFFPLONSTKOHBF-ZETCQYMHSA-N 0 0 169.268 1.742 10 0 ADAERN C[C@@H](CO)c1cccc2[nH]cnc12 258064434 573566886 /nfs/dbraw/zinc/56/68/86/573566886.db2.gz TTXHZZYZAJYFCD-ZETCQYMHSA-N 0 0 176.219 1.659 10 0 ADAERN CC[C@H](C(C)C)[C@H]([NH3+])C(=O)[O-] 107400242 573566891 /nfs/dbraw/zinc/56/68/91/573566891.db2.gz FAQQEDSIWAINNV-RQJHMYQMSA-N 0 0 159.229 1.081 10 0 ADAERN CCC[C@@H]1C(=O)N[C@@H]1CC 211917527 573566902 /nfs/dbraw/zinc/56/69/02/573566902.db2.gz ZGBWDUNQLZPIFY-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN CSc1ccc(F)c(C(=O)CN)c1 259513032 573567080 /nfs/dbraw/zinc/56/70/80/573567080.db2.gz SAQNAOUSHXYAJA-UHFFFAOYSA-N 0 0 199.250 1.689 10 0 ADAERN COC(=O)[C@H](c1cccn1C)C1CC1 259512645 573566953 /nfs/dbraw/zinc/56/69/53/573566953.db2.gz CEJQJNSGEWQTTC-JTQLQIEISA-N 0 0 193.246 1.692 10 0 ADAERN COc1ccc(C(C)(C)O)cc1N 259512841 573566980 /nfs/dbraw/zinc/56/69/80/573566980.db2.gz RYPGAHYYYKDIBA-UHFFFAOYSA-N 0 0 181.235 1.505 10 0 ADAERN C[C@]1(C2CC[NH2+]CC2)C[C@H]1C(=O)[O-] 259511477 573566990 /nfs/dbraw/zinc/56/69/90/573566990.db2.gz ZQAHJUNLEOELKL-WCBMZHEXSA-N 0 0 183.251 1.097 10 0 ADAERN OC[C@H]1CCNc2c(O)cccc21 257831417 573566993 /nfs/dbraw/zinc/56/69/93/573566993.db2.gz JQGLLKIOUKAQRY-SSDOTTSWSA-N 0 0 179.219 1.284 10 0 ADAERN C[C@H](CO)C[S@@](=O)C(C)(C)C 238432334 573567013 /nfs/dbraw/zinc/56/70/13/573567013.db2.gz CXVQBBGRVGKWLU-RDDDGLTNSA-N 0 0 178.297 1.162 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCCC[C@@H]1C 83611792 573567029 /nfs/dbraw/zinc/56/70/29/573567029.db2.gz LBXDHISZFJOTPY-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H](O)/C=C/C=C/C1CC1 238432422 573567040 /nfs/dbraw/zinc/56/70/40/573567040.db2.gz IETWKFCAMZJWIS-HKQWHQQWSA-N 0 0 138.210 1.890 10 0 ADAERN C[C@@]1(C2CC[NH2+]CC2)C[C@@H]1C(=O)[O-] 259511475 573567041 /nfs/dbraw/zinc/56/70/41/573567041.db2.gz ZQAHJUNLEOELKL-SCZZXKLOSA-N 0 0 183.251 1.097 10 0 ADAERN NC(=[NH2+])[C@H](F)C1CCCC1 259511383 573567053 /nfs/dbraw/zinc/56/70/53/573567053.db2.gz ZOHQXZTVCOPRPU-ZCFIWIBFSA-N 0 0 144.193 1.451 10 0 ADAERN CO[C@H](CO)CCc1ccccc1C 257831600 573567064 /nfs/dbraw/zinc/56/70/64/573567064.db2.gz JMOHDVDTVLQALM-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN Cc1c2c(nn1C)CCCC2=O 107401655 573567074 /nfs/dbraw/zinc/56/70/74/573567074.db2.gz DQQWMHHWJGOMLF-UHFFFAOYSA-N 0 0 164.208 1.248 10 0 ADAERN CCCC[C@H]1C(=O)N[C@@H]1C 211921324 573574763 /nfs/dbraw/zinc/57/47/63/573574763.db2.gz XZNVBGWCLFTRNV-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN O=C1CCCC=CC[C@H](CCCO)O1 308624349 573569297 /nfs/dbraw/zinc/56/92/97/573569297.db2.gz JEMUUMGAYYHFER-SNVBAGLBSA-N 0 0 198.262 1.801 10 0 ADAERN CC(=O)[C@H](O)[C@@H]1CCC=C[C@@H]1C 238444097 573569472 /nfs/dbraw/zinc/56/94/72/573569472.db2.gz PXTMKHUZEAYMFY-SFGNSQDASA-N 0 0 168.236 1.539 10 0 ADAERN Cc1cccc2c1O[C@@H](CO)CN2C 211915438 573568127 /nfs/dbraw/zinc/56/81/27/573568127.db2.gz OMWQDEBWYJLNJV-SECBINFHSA-N 0 0 193.246 1.185 10 0 ADAERN CC(=O)[C@]1(C)OCC[C@@H](C)O1 238433403 573569525 /nfs/dbraw/zinc/56/95/25/573569525.db2.gz GQEIFAVRWQISGP-HTRCEHHLSA-N 0 0 158.197 1.117 10 0 ADAERN C/C=C\C[NH2+][C@@](CC)(C(N)=O)C(C)C 308626038 573567837 /nfs/dbraw/zinc/56/78/37/573567837.db2.gz WIIUPDBFHUHDAF-JPVGGKMYSA-N 0 0 198.310 1.442 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CC[C@H](C)C1 83611320 573567848 /nfs/dbraw/zinc/56/78/48/573567848.db2.gz HNABICBEUMHFJC-CBAPKCEASA-N 0 0 171.240 1.239 10 0 ADAERN Cc1ccc(C[C@H](C)CO)o1 238432507 573567850 /nfs/dbraw/zinc/56/78/50/573567850.db2.gz QPIWPVOPHUTUPG-ZETCQYMHSA-N 0 0 154.209 1.759 10 0 ADAERN CSc1ccccc/c1=N\C(N)=O 238432940 573567867 /nfs/dbraw/zinc/56/78/67/573567867.db2.gz CQAOMBVHKGCZBB-YRNVUSSQSA-N 0 0 194.259 1.388 10 0 ADAERN C[C@H]1c2ccccc2C[C@@H]1C(N)=O 238432827 573567892 /nfs/dbraw/zinc/56/78/92/573567892.db2.gz PIYACFNOUBCPMY-XVKPBYJWSA-N 0 0 175.231 1.448 10 0 ADAERN C[C@H](/C=C\CO)Oc1ccc(O)cc1 145532417 573567898 /nfs/dbraw/zinc/56/78/98/573567898.db2.gz OBSVQIZHVVTVJD-PKRMOACSSA-N 0 0 194.230 1.708 10 0 ADAERN CC(=O)[C@H]1CC[C@@](C)(O)[C@@H]1C 238432393 573567906 /nfs/dbraw/zinc/56/79/06/573567906.db2.gz UIJZSWGKORMKNW-BWVDBABLSA-N 0 0 156.225 1.373 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CC[C@H](C)[C@@H](C)C1 83611323 573567909 /nfs/dbraw/zinc/56/79/09/573567909.db2.gz YHNXUUGCISVDFC-ATZCPNFKSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](O)/C=C/C(C)(C)Cl 238432205 573567918 /nfs/dbraw/zinc/56/79/18/573567918.db2.gz QOSXLVXRWUPMRW-OVCGOVNKSA-N 0 0 148.633 1.941 10 0 ADAERN CC(C)[C@@H](O)/C=C\C1=NC(C)(C)CO1 308623891 573567921 /nfs/dbraw/zinc/56/79/21/573567921.db2.gz ITZFDBDMBFJGRR-UDIARPCQSA-N 0 0 197.278 1.767 10 0 ADAERN COCc1cc(Cl)ns1 107401510 573567944 /nfs/dbraw/zinc/56/79/44/573567944.db2.gz KBMLLEXNALDTID-UHFFFAOYSA-N 0 0 163.629 1.943 10 0 ADAERN C[C@@H]1N=C(CO)O[C@H]1c1ccccc1 224337995 573567945 /nfs/dbraw/zinc/56/79/45/573567945.db2.gz HYQWWSCIGGIABX-GZMMTYOYSA-N 0 0 191.230 1.537 10 0 ADAERN C[C@H](CO)Cc1cccn1C 238432578 573567953 /nfs/dbraw/zinc/56/79/53/573567953.db2.gz UABZLIPKBXYIAT-QMMMGPOBSA-N 0 0 153.225 1.196 10 0 ADAERN c1cc(-c2nccs2)on1 83618032 573567958 /nfs/dbraw/zinc/56/79/58/573567958.db2.gz FNWJLFIOWFLRIW-UHFFFAOYSA-N 0 0 152.178 1.798 10 0 ADAERN C[C@@H](O)CCCc1ccoc1 238432552 573567959 /nfs/dbraw/zinc/56/79/59/573567959.db2.gz PIOWKMZWQDITKT-MRVPVSSYSA-N 0 0 154.209 1.983 10 0 ADAERN CC1=CC[C@H]2CC(=O)C[C@H]12 224323861 573567964 /nfs/dbraw/zinc/56/79/64/573567964.db2.gz RHIDXPKEFXJKCP-IONNQARKSA-N 0 0 136.194 1.932 10 0 ADAERN C[S@@](=O)c1nc2ccccc2o1 145215884 573567966 /nfs/dbraw/zinc/56/79/66/573567966.db2.gz ZLGOMGTXAPDPLV-LBPRGKRZSA-N 0 0 181.216 1.565 10 0 ADAERN CCO/C=C(\C)[C@@H](O)CC1=[NH+]CCC1 308625332 573567971 /nfs/dbraw/zinc/56/79/71/573567971.db2.gz KLNUVNVKWQAABT-FBOQAHMBSA-N 0 0 197.278 1.913 10 0 ADAERN CC1(C)C=CC=C[C@H]1CC(N)=O 145225606 573567980 /nfs/dbraw/zinc/56/79/80/573567980.db2.gz RPPZZMRRZPGWHZ-QMMMGPOBSA-N 0 0 165.236 1.630 10 0 ADAERN C[C@H](F)[C@@H](C)F 95831753 573568018 /nfs/dbraw/zinc/56/80/18/573568018.db2.gz GRELHMBELDGGLT-ZXZARUISSA-N 0 0 94.104 1.702 10 0 ADAERN C[C@@]1(C2CC[NH2+]CC2)C[C@H]1C(=O)[O-] 259511479 573568022 /nfs/dbraw/zinc/56/80/22/573568022.db2.gz ZQAHJUNLEOELKL-WPRPVWTQSA-N 0 0 183.251 1.097 10 0 ADAERN COc1cccc([C@](C)(CO)OC)c1 257831926 573568028 /nfs/dbraw/zinc/56/80/28/573568028.db2.gz JPFDEVNJTXSETP-NSHDSACASA-N 0 0 196.246 1.549 10 0 ADAERN CC[N@@H+]1C[C@H](CC(=O)[O-])CCC1(C)C 259513857 573568031 /nfs/dbraw/zinc/56/80/31/573568031.db2.gz USXJJGHJUOTRHL-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCc1cc[nH]c1C=O 75425300 573568036 /nfs/dbraw/zinc/56/80/36/573568036.db2.gz XYMXEIDEBKNGTB-UHFFFAOYSA-N 0 0 123.155 1.390 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCC[C@H]1C 83611771 573568111 /nfs/dbraw/zinc/56/81/11/573568111.db2.gz GRCJWZNTNSDUNX-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@@](C)(CCC(C)C)CC(=O)[O-] 83611509 573568048 /nfs/dbraw/zinc/56/80/48/573568048.db2.gz YTOLWAKUWCZYIL-JTQLQIEISA-N 0 0 187.283 1.875 10 0 ADAERN CCOC(=O)CCc1cc(F)ccn1 238270538 573568061 /nfs/dbraw/zinc/56/80/61/573568061.db2.gz AUWFQGKROWNTMH-UHFFFAOYSA-N 0 0 197.209 1.716 10 0 ADAERN CC(C)[C@H](O)[Si](C)(C)C 197056958 573568066 /nfs/dbraw/zinc/56/80/66/573568066.db2.gz JFCVNZWACORNGG-SSDOTTSWSA-N 0 0 146.306 1.881 10 0 ADAERN CO[C@H](C)CNc1cnc(C)c(C)n1 224333643 573568073 /nfs/dbraw/zinc/56/80/73/573568073.db2.gz KKIIHKNJHXIYOB-SSDOTTSWSA-N 0 0 195.266 1.540 10 0 ADAERN O=C([O-])C[NH+]1CC2(CCCCCC2)C1 86683061 573568077 /nfs/dbraw/zinc/56/80/77/573568077.db2.gz CNEORVXLSBMOIP-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN Nc1cc(-c2ccsc2)cc(N)[nH+]1 145251885 573568090 /nfs/dbraw/zinc/56/80/90/573568090.db2.gz RGGGKIYWYURHTC-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN CCC(CC)CN1CCC(=O)C1=O 130383177 573568160 /nfs/dbraw/zinc/56/81/60/573568160.db2.gz RZOUAZQPPMQJFG-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1ccn2c([C@H](C)O)ncc2c1 257831846 573569473 /nfs/dbraw/zinc/56/94/73/573569473.db2.gz JTHURINPTFHNRA-QMMMGPOBSA-N 0 0 176.219 1.696 10 0 ADAERN Cc1cc(C=O)c2c(c1C)OCCO2 257831939 573569502 /nfs/dbraw/zinc/56/95/02/573569502.db2.gz JPQZTGPQYFKUBB-UHFFFAOYSA-N 0 0 192.214 1.887 10 0 ADAERN CC(C)C[C@@H]1OC[C@@H](C(C)C)NC1=O 224342759 573571644 /nfs/dbraw/zinc/57/16/44/573571644.db2.gz UADJCBLXIUUDDQ-UWVGGRQHSA-N 0 0 199.294 1.572 10 0 ADAERN CC1(C)CC[C@@H]2CCC(=O)[C@@]21O 224328001 573569049 /nfs/dbraw/zinc/56/90/49/573569049.db2.gz QFRRZOHXZWLFOU-XVKPBYJWSA-N 0 0 168.236 1.517 10 0 ADAERN C/C=C/C=C/C=C/C=C\[C@H](O)[C@H](C)O 308625346 573569067 /nfs/dbraw/zinc/56/90/67/573569067.db2.gz KNQUARMVFDSPEZ-JTFQEZILSA-N 0 0 194.274 1.973 10 0 ADAERN CCC(CC)CNC(=O)n1ccnc1 130501127 573569080 /nfs/dbraw/zinc/56/90/80/573569080.db2.gz KUZHRYOSQLIGBD-UHFFFAOYSA-N 0 0 195.266 1.877 10 0 ADAERN C[C@@H]1C[C@H](CO)C=CC=C[C@H](CO)C1 308623385 573569098 /nfs/dbraw/zinc/56/90/98/573569098.db2.gz IAENDOASQQUYHX-CNDDSTCGSA-N 0 0 196.290 1.746 10 0 ADAERN CCc1onc(C=O)c1Cl 107400546 573569121 /nfs/dbraw/zinc/56/91/21/573569121.db2.gz GFAFMNVXVNMRJC-UHFFFAOYSA-N 0 0 159.572 1.703 10 0 ADAERN C[C@H]1C(=O)CCC(C)(C)[C@@]1(C)O 238433200 573569127 /nfs/dbraw/zinc/56/91/27/573569127.db2.gz MQQOSXUQPWEIOO-XVKPBYJWSA-N 0 0 170.252 1.763 10 0 ADAERN CCC[C@@H]([NH2+]Cc1nnco1)C1CC1 308625991 573569157 /nfs/dbraw/zinc/56/91/57/573569157.db2.gz WFIZBYWBWHDXLZ-SECBINFHSA-N 0 0 195.266 1.738 10 0 ADAERN COc1c(C)cc2c(c1N)COC2 238444224 573569161 /nfs/dbraw/zinc/56/91/61/573569161.db2.gz QKEGQBVVDZFJAF-UHFFFAOYSA-N 0 0 179.219 1.616 10 0 ADAERN CSc1ccncc1C(N)=S 238433456 573569172 /nfs/dbraw/zinc/56/91/72/573569172.db2.gz SWSKATVNMKNMMJ-UHFFFAOYSA-N 0 0 184.289 1.438 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@@H]1C 83611769 573569206 /nfs/dbraw/zinc/56/92/06/573569206.db2.gz GRCJWZNTNSDUNX-CBAPKCEASA-N 0 0 171.240 1.239 10 0 ADAERN COC(=O)C/C(C)=C/Br 224331140 573569214 /nfs/dbraw/zinc/56/92/14/573569214.db2.gz WOLFSLMHHWGJAM-SNAWJCMRSA-N 0 0 193.040 1.848 10 0 ADAERN CC(C)[C@H]1C=C(C(=O)[O-])CC[NH2+]1 258501254 573569218 /nfs/dbraw/zinc/56/92/18/573569218.db2.gz KYCIQXUEAUARIC-MRVPVSSYSA-N 0 0 169.224 1.015 10 0 ADAERN C[C@H]1C[C@H](O)ON1Cc1ccccc1 238444228 573569228 /nfs/dbraw/zinc/56/92/28/573569228.db2.gz YLQQTYLMIOBRFE-GXSJLCMTSA-N 0 0 193.246 1.531 10 0 ADAERN C[C@@H]1CCN2C(=O)CCC[C@H]2C1 238433231 573569459 /nfs/dbraw/zinc/56/94/59/573569459.db2.gz WQUHBTKLZMFPPU-BDAKNGLRSA-N 0 0 167.252 1.797 10 0 ADAERN Cc1cc2c(cc1C(=O)CN)CCO2 75429268 573569244 /nfs/dbraw/zinc/56/92/44/573569244.db2.gz IXYMVQHXCSQKCH-UHFFFAOYSA-N 0 0 191.230 1.071 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CC[C@@H](C)C1 83611318 573569280 /nfs/dbraw/zinc/56/92/80/573569280.db2.gz HNABICBEUMHFJC-APPZFPTMSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H]1C(=O)CC[C@@H](CO)C1(C)C 238433563 573569285 /nfs/dbraw/zinc/56/92/85/573569285.db2.gz NSAJTCWIPKDENC-YUMQZZPRSA-N 0 0 170.252 1.620 10 0 ADAERN CCOC(=O)[C@H]1NCC=C1C(C)C 238270759 573569290 /nfs/dbraw/zinc/56/92/90/573569290.db2.gz NNCWRZLOLFZPHG-VIFPVBQESA-N 0 0 183.251 1.104 10 0 ADAERN CCC[C@](C[NH3+])(C(=O)[O-])C(C)(F)F 257831951 573569292 /nfs/dbraw/zinc/56/92/92/573569292.db2.gz JPWZNXWLQWCKNO-QMMMGPOBSA-N 0 0 195.209 1.471 10 0 ADAERN COC[C@@](O)(Cc1ccco1)C(C)C 130502128 573569299 /nfs/dbraw/zinc/56/92/99/573569299.db2.gz OMJMXMILGVYEAE-NSHDSACASA-N 0 0 198.262 1.856 10 0 ADAERN C[C@H](O)c1ccccc1C1(CO)CC1 259512976 573569308 /nfs/dbraw/zinc/56/93/08/573569308.db2.gz SAAFPKQENFIYGF-VIFPVBQESA-N 0 0 192.258 1.764 10 0 ADAERN CC/C=C/C(=O)NCc1ccc[nH]1 393536842 573569316 /nfs/dbraw/zinc/56/93/16/573569316.db2.gz GZSQKSJPNODHLR-ZZXKWVIFSA-N 0 0 178.235 1.597 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)c1csc(C)n1 689971482 573569325 /nfs/dbraw/zinc/56/93/25/573569325.db2.gz FMKQXJROOXLTNS-VDAHYXPESA-N 0 0 199.275 1.520 10 0 ADAERN CNSc1cc(OC)ccc1OC 259112623 573569467 /nfs/dbraw/zinc/56/94/67/573569467.db2.gz AXYOYECFIXCRSN-UHFFFAOYSA-N 0 0 199.275 1.930 10 0 ADAERN Nc1cccc([C@@H](O)[C@@H]2CCOC2)c1 236355063 573569369 /nfs/dbraw/zinc/56/93/69/573569369.db2.gz MWQSTEHEFJZHMD-MWLCHTKSSA-N 0 0 193.246 1.339 10 0 ADAERN CC(=O)[C@]1(Br)C[C@H]1C 238444151 573569391 /nfs/dbraw/zinc/56/93/91/573569391.db2.gz PJIPBDUUBURDEO-XINAWCOVSA-N 0 0 177.041 1.749 10 0 ADAERN Cn1cc(N)c(-c2ccccc2N)c1 258064384 573569397 /nfs/dbraw/zinc/56/93/97/573569397.db2.gz GRJAQHMVQPMEQH-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN C[C@]1(c2cccc(F)c2)CNC(=O)N1 257832028 573569398 /nfs/dbraw/zinc/56/93/98/573569398.db2.gz JRHXQGPAVFMWAO-SNVBAGLBSA-N 0 0 194.209 1.354 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86682568 573569402 /nfs/dbraw/zinc/56/94/02/573569402.db2.gz BXKFSOQAFZNOJW-IUCAKERBSA-N 0 0 199.294 1.828 10 0 ADAERN C[NH2+]C1(CC(=O)[O-])C[C@H](C)C[C@@H](C)C1 83611765 573569409 /nfs/dbraw/zinc/56/94/09/573569409.db2.gz QKPOIOHFAAQLGY-RKDXNWHRSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@]12CCO[C@@H]1CCCC2=O 238443881 573569510 /nfs/dbraw/zinc/56/95/10/573569510.db2.gz PHMFARIMTOHAMN-BDAKNGLRSA-N 0 0 154.209 1.535 10 0 ADAERN COC(=O)[C@H](F)C1CCSCC1 257831964 573569427 /nfs/dbraw/zinc/56/94/27/573569427.db2.gz JQACGLBWWLRFSD-SSDOTTSWSA-N 0 0 192.255 1.641 10 0 ADAERN Nc1cccc([C@H](O)[C@@H]2CCOC2)c1 236357301 573569429 /nfs/dbraw/zinc/56/94/29/573569429.db2.gz MWQSTEHEFJZHMD-KOLCDFICSA-N 0 0 193.246 1.339 10 0 ADAERN Cc1cccc(-n2nncc2C=O)c1 75422625 573569435 /nfs/dbraw/zinc/56/94/35/573569435.db2.gz WQENQSZBGOZPND-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN CC[S@](=O)C[C@H](O)c1ccccc1 238271397 573569438 /nfs/dbraw/zinc/56/94/38/573569438.db2.gz QLWKOHLVTMXFQG-GWCFXTLKSA-N 0 0 198.287 1.489 10 0 ADAERN CCCCC[N@H+](C)C[C@@H]1C[C@@H]1C(=O)[O-] 258782795 573572318 /nfs/dbraw/zinc/57/23/18/573572318.db2.gz BQOBLBSOLMGRKE-UWVGGRQHSA-N 0 0 199.294 1.829 10 0 ADAERN CC1C[NH+]([C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 86684856 573571630 /nfs/dbraw/zinc/57/16/30/573571630.db2.gz CJTRUAADQUSILT-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H](C(=O)[O-])[NH+]1CC(C(C)(C)C)C1 86683471 573572655 /nfs/dbraw/zinc/57/26/55/573572655.db2.gz QLQXFDDTQTWOON-SSDOTTSWSA-N 0 0 185.267 1.437 10 0 ADAERN Nc1ccc([C@@H](O)c2ccco2)cc1 236367880 573572657 /nfs/dbraw/zinc/57/26/57/573572657.db2.gz OOLUBETXCUOBTR-LLVKDONJSA-N 0 0 189.214 1.944 10 0 ADAERN CC1C[NH+]([C@@H](C(=O)[O-])C(C)(C)C)C1 86685043 573572704 /nfs/dbraw/zinc/57/27/04/573572704.db2.gz ULZSZGXRXCTRHH-QMMMGPOBSA-N 0 0 185.267 1.437 10 0 ADAERN OCCCC1(c2cccs2)COC1 258783100 573572706 /nfs/dbraw/zinc/57/27/06/573572706.db2.gz LZSONNGPJHWZDI-UHFFFAOYSA-N 0 0 198.287 1.789 10 0 ADAERN Cc1c(C=O)ccc2c1CCO2 75428047 573570446 /nfs/dbraw/zinc/57/04/46/573570446.db2.gz SRDNLGZWJVDHHJ-UHFFFAOYSA-N 0 0 162.188 1.742 10 0 ADAERN C[C@@H](C[NH2+]C(C)(C)C)CC(=O)[O-] 258778973 573570417 /nfs/dbraw/zinc/57/04/17/573570417.db2.gz ZOZKXBJEJDZUIQ-SSDOTTSWSA-N 0 0 173.256 1.485 10 0 ADAERN Cc1ccc([C@H](CCO)ON)cc1 257831950 573570423 /nfs/dbraw/zinc/57/04/23/573570423.db2.gz JVZYNMDVTWUXOW-JTQLQIEISA-N 0 0 181.235 1.309 10 0 ADAERN CC[C@H](OC)C(CO)(CO)C(C)C 238271070 573570428 /nfs/dbraw/zinc/57/04/28/573570428.db2.gz ALHTXRYGKUCFEZ-VIFPVBQESA-N 0 0 190.283 1.038 10 0 ADAERN COC(=O)[C@H]1CCC(=O)C2(CCC2)C1 259513970 573570431 /nfs/dbraw/zinc/57/04/31/573570431.db2.gz CIFHTEHDOQNSSE-QMMMGPOBSA-N 0 0 196.246 1.699 10 0 ADAERN C[C@H](O)c1cn(C)cc1[C@H](C)O 238444122 573570462 /nfs/dbraw/zinc/57/04/62/573570462.db2.gz CTTINFKOOQPGFG-BQBZGAKWSA-N 0 0 169.224 1.132 10 0 ADAERN CC(=O)[C@]1(C)CCSC1 259513471 573570472 /nfs/dbraw/zinc/57/04/72/573570472.db2.gz ZQSPEOAGSDEERP-SSDOTTSWSA-N 0 0 144.239 1.719 10 0 ADAERN C[C@H](CCO)C1(O)CCCC1 238433284 573570480 /nfs/dbraw/zinc/57/04/80/573570480.db2.gz FIEIRDPNLNHAIV-MRVPVSSYSA-N 0 0 158.241 1.310 10 0 ADAERN CC(=O)[C@]1(O)CCC=C[C@@H]1C 238443898 573570499 /nfs/dbraw/zinc/57/04/99/573570499.db2.gz JBDHWROYKRHLOP-CBAPKCEASA-N 0 0 154.209 1.293 10 0 ADAERN C[NH2+]C1(CC(=O)[O-])CCCCCC1 83611348 573570521 /nfs/dbraw/zinc/57/05/21/573570521.db2.gz DAYFFHLVEYQVGC-UHFFFAOYSA-N 0 0 185.267 1.774 10 0 ADAERN COc1ccccc1C1(C)COC1 258779985 573570532 /nfs/dbraw/zinc/57/05/32/573570532.db2.gz USJYBAYYDFOOMA-UHFFFAOYSA-N 0 0 178.231 1.983 10 0 ADAERN CCC[NH2+]C[C@@H](C(=O)[O-])C(C)C 258781804 573570536 /nfs/dbraw/zinc/57/05/36/573570536.db2.gz ZVPVERMIDYGHPL-MRVPVSSYSA-N 0 0 173.256 1.343 10 0 ADAERN COCNc1ccc(OC)c(OC)c1 258778935 573570542 /nfs/dbraw/zinc/57/05/42/573570542.db2.gz ZNNXOYSURDHTBQ-UHFFFAOYSA-N 0 0 197.234 1.720 10 0 ADAERN CC(=O)[C@@]1(O)CCC=C[C@@H]1C 238444278 573570559 /nfs/dbraw/zinc/57/05/59/573570559.db2.gz JBDHWROYKRHLOP-IONNQARKSA-N 0 0 154.209 1.293 10 0 ADAERN Cc1ccc2c(c1)O[C@](C)(CO)O2 258408950 573570585 /nfs/dbraw/zinc/57/05/85/573570585.db2.gz ZLCXJPGMNCZTSR-SNVBAGLBSA-N 0 0 180.203 1.475 10 0 ADAERN CCCCOC[C@@H](O)CCCCO 78923278 573570589 /nfs/dbraw/zinc/57/05/89/573570589.db2.gz KKQANUKKIVTZQP-JTQLQIEISA-N 0 0 190.283 1.327 10 0 ADAERN CC(=O)c1cnn(C)c1CC(C)C 257831869 573570597 /nfs/dbraw/zinc/57/05/97/573570597.db2.gz JTYLAQLETCYCIN-UHFFFAOYSA-N 0 0 180.251 1.821 10 0 ADAERN Cc1cccc2c1[C@@H](O)[C@@H](C)C2=O 238444138 573570602 /nfs/dbraw/zinc/57/06/02/573570602.db2.gz YRGRLHROYLJBGG-CPCISQLKSA-N 0 0 176.215 1.861 10 0 ADAERN O=Cc1cnnn1-c1cccc(F)c1 75422606 573570605 /nfs/dbraw/zinc/57/06/05/573570605.db2.gz XEILGHKSXGULCA-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN C[NH2+][C@@H](CC(=O)[O-])C(C)(C)C 83611571 573570612 /nfs/dbraw/zinc/57/06/12/573570612.db2.gz OSAHAKAHBZUYLL-LURJTMIESA-N 0 0 159.229 1.095 10 0 ADAERN C[C@H]1C[C@H](O)N(C)N1c1ccccc1 238444021 573570637 /nfs/dbraw/zinc/57/06/37/573570637.db2.gz FNOFPQBOQUJKNC-ONGXEEELSA-N 0 0 192.262 1.450 10 0 ADAERN CO[C@H]1COc2cccc(N)c2C1 257832370 573570638 /nfs/dbraw/zinc/57/06/38/573570638.db2.gz KAYBDYAPOPZKTO-SSDOTTSWSA-N 0 0 179.219 1.219 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCC[C@@H]1C 83611773 573570654 /nfs/dbraw/zinc/57/06/54/573570654.db2.gz GRCJWZNTNSDUNX-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN CCNc1cc[nH+]c(COC(C)=O)c1 308625725 573570658 /nfs/dbraw/zinc/57/06/58/573570658.db2.gz VZIZTANSVFMEPL-UHFFFAOYSA-N 0 0 194.234 1.577 10 0 ADAERN CC(C)(C)C1C[NH+](C2(C(=O)[O-])CC2)C1 86686227 573572687 /nfs/dbraw/zinc/57/26/87/573572687.db2.gz KYXDXQBZYWDXPW-UHFFFAOYSA-N 0 0 197.278 1.582 10 0 ADAERN COc1c(C)cc(CO)c2c1CCC2 238443900 573570679 /nfs/dbraw/zinc/57/06/79/573570679.db2.gz VVWUNPFSJGLKEM-UHFFFAOYSA-N 0 0 192.258 1.985 10 0 ADAERN C/C=C\C[NH2+][C@](CC)(C(N)=O)C(C)C 308626040 573570694 /nfs/dbraw/zinc/57/06/94/573570694.db2.gz WIIUPDBFHUHDAF-XOIDGJRKSA-N 0 0 198.310 1.442 10 0 ADAERN C[C@H](CCO)C1=NC(C)(C)CO1 238433370 573570711 /nfs/dbraw/zinc/57/07/11/573570711.db2.gz VDDWEXYFNBMIJM-SSDOTTSWSA-N 0 0 171.240 1.212 10 0 ADAERN C[C@@H](/C=C\CO)[C@@H](O)c1ccccc1 308624953 573570725 /nfs/dbraw/zinc/57/07/25/573570725.db2.gz KAQYKEKWLLINRS-UHGNHILRSA-N 0 0 192.258 1.905 10 0 ADAERN CC[C@H](O)[C@@H](O)/C=C\c1ccccc1 308623838 573570731 /nfs/dbraw/zinc/57/07/31/573570731.db2.gz IMJQKUONEUOYEO-RTVKQWPZSA-N 0 0 192.258 1.832 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]1[NH+]1CC2(CC2)C1 86685695 573572693 /nfs/dbraw/zinc/57/26/93/573572693.db2.gz NQRUXYMHBAXFFO-RKDXNWHRSA-N 0 0 195.262 1.336 10 0 ADAERN CC1(C)Nc2cc(O)ccc2NC1=O 82388905 573572694 /nfs/dbraw/zinc/57/26/94/573572694.db2.gz OSVYFARKFNXQDR-UHFFFAOYSA-N 0 0 192.218 1.535 10 0 ADAERN Cc1ccn2c([C@@H](C)O)ncc2c1 257831843 573570757 /nfs/dbraw/zinc/57/07/57/573570757.db2.gz JTHURINPTFHNRA-MRVPVSSYSA-N 0 0 176.219 1.696 10 0 ADAERN C[C@@H]1[C@@H](C(=O)[O-])CC[C@@H]2CCCC[N@@H+]21 238433519 573570760 /nfs/dbraw/zinc/57/07/60/573570760.db2.gz CNTSQOOOPBIZTK-UTLUCORTSA-N 0 0 197.278 1.724 10 0 ADAERN COc1c(N)c(C)cc2c1CCO2 75428065 573570791 /nfs/dbraw/zinc/57/07/91/573570791.db2.gz GRQUWDQCYKZTDW-UHFFFAOYSA-N 0 0 179.219 1.521 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@]2(C)CO2)CC1=O 238443972 573570807 /nfs/dbraw/zinc/57/08/07/573570807.db2.gz QZMAEXOOJKMJHZ-NQMVMOMDSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@H]1[C@@H](CCO)CCC12OCCO2 238444193 573570815 /nfs/dbraw/zinc/57/08/15/573570815.db2.gz XHUCIIQUTTWZGR-DTWKUNHWSA-N 0 0 186.251 1.158 10 0 ADAERN C[C@@H]1CC[N@@H+]1C1(C(=O)[O-])CCCCC1 86684401 573570824 /nfs/dbraw/zinc/57/08/24/573570824.db2.gz UYTCPPAMLJDVBV-SECBINFHSA-N 0 0 197.278 1.868 10 0 ADAERN C[C@@H]1CCC(=O)C[C@@H]1CCO 238433323 573570827 /nfs/dbraw/zinc/57/08/27/573570827.db2.gz JZFQMSKIZREECB-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H]1C(=O)CCC(C)(C)[C@]1(C)O 238433213 573570840 /nfs/dbraw/zinc/57/08/40/573570840.db2.gz MQQOSXUQPWEIOO-OIBJUYFYSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H](C(=O)[O-])C(C)(C)C 86685059 573572711 /nfs/dbraw/zinc/57/27/11/573572711.db2.gz ODLGYJAANBIGBI-SFYZADRCSA-N 0 0 185.267 1.580 10 0 ADAERN COc1ccc(N)cc1N1CC(C)C1 86687662 573570859 /nfs/dbraw/zinc/57/08/59/573570859.db2.gz FDPHXVJQYABXLS-UHFFFAOYSA-N 0 0 192.262 1.734 10 0 ADAERN CC1=CC[N@H+]([C@@H](C(=O)[O-])C(C)C)CC1 75423281 573570871 /nfs/dbraw/zinc/57/08/71/573570871.db2.gz ZWJMMYNNVWLQIS-SNVBAGLBSA-N 0 0 197.278 1.748 10 0 ADAERN Nc1cccc([C@H](O)[C@H]2CCOC2)c1 236357315 573570873 /nfs/dbraw/zinc/57/08/73/573570873.db2.gz MWQSTEHEFJZHMD-ONGXEEELSA-N 0 0 193.246 1.339 10 0 ADAERN CC1(C)C[NH+](C2(C(=O)[O-])CCCC2)C1 86684374 573570877 /nfs/dbraw/zinc/57/08/77/573570877.db2.gz JVNNUAQWYBBYIZ-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CC(C)(C(=O)[O-])[NH+]1CC2(CCC2)C1 86684314 573570897 /nfs/dbraw/zinc/57/08/97/573570897.db2.gz IKHHXPYJTCBCJF-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN Nc1ccc(O[C@H]2CCOC2)cc1N 236356100 573570899 /nfs/dbraw/zinc/57/08/99/573570899.db2.gz DPICVECGNPXBAB-QMMMGPOBSA-N 0 0 194.234 1.019 10 0 ADAERN C[C@@H]1CCO[C@@H]1CCCO 238433259 573572897 /nfs/dbraw/zinc/57/28/97/573572897.db2.gz UYDRKZHEBCZPKZ-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN CC1C[NH+]([C@H](C(=O)[O-])C(C)(C)C)C1 86685045 573570907 /nfs/dbraw/zinc/57/09/07/573570907.db2.gz ULZSZGXRXCTRHH-MRVPVSSYSA-N 0 0 185.267 1.437 10 0 ADAERN CN1N[C@H](C2CCCCC2)CC1=O 257832360 573570909 /nfs/dbraw/zinc/57/09/09/573570909.db2.gz KAQYWHXIEKYBBZ-VIFPVBQESA-N 0 0 182.267 1.302 10 0 ADAERN C[C@H]1C[C@H](O)OCC(C)(C)C1 238444159 573570910 /nfs/dbraw/zinc/57/09/10/573570910.db2.gz KLZNUMDQLRRUMF-JGVFFNPUSA-N 0 0 158.241 1.778 10 0 ADAERN C[C@@H]1Sc2nccnc2N[C@@]1(C)O 238433732 573570921 /nfs/dbraw/zinc/57/09/21/573570921.db2.gz BJGMHNJRQKGRMD-XNCJUZBTSA-N 0 0 197.263 1.091 10 0 ADAERN NCC(=O)c1cc2ccoc2cc1F 75428120 573570944 /nfs/dbraw/zinc/57/09/44/573570944.db2.gz NZHOCAGAFRYMKP-UHFFFAOYSA-N 0 0 193.177 1.713 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@@H]([NH3+])C1CCCC1 259113135 573572717 /nfs/dbraw/zinc/57/27/17/573572717.db2.gz ABQORKSDTNGKDT-ZJUUUORDSA-N 0 0 199.294 1.861 10 0 ADAERN CCC[C@H](CC(=O)[O-])[NH2+]CC 83613459 573570961 /nfs/dbraw/zinc/57/09/61/573570961.db2.gz SIPMBFXWDLUHHJ-SSDOTTSWSA-N 0 0 159.229 1.239 10 0 ADAERN O=C([O-])[C@H]1CC[C@H]([NH+]2CC3(CC3)C2)C1 86686557 573570963 /nfs/dbraw/zinc/57/09/63/573570963.db2.gz TUVWCMBAIVLJTN-IUCAKERBSA-N 0 0 195.262 1.336 10 0 ADAERN C[C@H]1C(=O)C[C@H]1[NH+]1CCCCC1 238443978 573570988 /nfs/dbraw/zinc/57/09/88/573570988.db2.gz QYIKZQXAJPDOCZ-RKDXNWHRSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@H](O)/C=C/[C@](C)(O)c1ccccc1 238433486 573571004 /nfs/dbraw/zinc/57/10/04/573571004.db2.gz AQLDFWAHWNEZBC-BNWGVOOPSA-N 0 0 192.258 1.831 10 0 ADAERN C[C@@H]1CC[N@@H+]1C1(CC(=O)[O-])CCCC1 86685556 573571005 /nfs/dbraw/zinc/57/10/05/573571005.db2.gz ZKBCKVNIQMINFQ-SECBINFHSA-N 0 0 197.278 1.868 10 0 ADAERN C[C@@H](C[C@H]1CCCS1)ON 259513313 573571034 /nfs/dbraw/zinc/57/10/34/573571034.db2.gz RVNMSACBUZLMHA-NKWVEPMBSA-N 0 0 161.270 1.551 10 0 ADAERN Cc1[nH]c([C@@H]2CCSC2)nc1C=O 258064704 573572724 /nfs/dbraw/zinc/57/27/24/573572724.db2.gz KYZMMCNLFOCKBG-SSDOTTSWSA-N 0 0 196.275 1.751 10 0 ADAERN C[C@H]1CC[N@@H+]1C1(C(=O)[O-])CCCC1 86684385 573571049 /nfs/dbraw/zinc/57/10/49/573571049.db2.gz ZGJICDHTODAUMO-QMMMGPOBSA-N 0 0 183.251 1.478 10 0 ADAERN CC[NH+](CC)C[C@H](C(=O)[O-])C(C)C 86685822 573571063 /nfs/dbraw/zinc/57/10/63/573571063.db2.gz OWOWFRQTMOYCMN-VIFPVBQESA-N 0 0 187.283 1.685 10 0 ADAERN C[C@@H]1CCC(=O)C[C@]1(C)[C@@H]1CO1 238433682 573571067 /nfs/dbraw/zinc/57/10/67/573571067.db2.gz SUNODKJWJLGIOW-JEZHCXPESA-N 0 0 168.236 1.781 10 0 ADAERN CCC1C[NH+]([C@H]2CC[C@H](C(=O)[O-])C2)C1 86686490 573572725 /nfs/dbraw/zinc/57/27/25/573572725.db2.gz IYUFQRJRGFGVBJ-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CC1C[NH+]([C@H]2CC[C@@H](C(=O)[O-])C2)C1 86686474 573571094 /nfs/dbraw/zinc/57/10/94/573571094.db2.gz UTBYMPSAAHERMX-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CC[C@H](C)C1 83611316 573571096 /nfs/dbraw/zinc/57/10/96/573571096.db2.gz HNABICBEUMHFJC-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN CC[N@@H+]1CC[C@H]([C@@H](F)CC(=O)[O-])C1 257829735 573572726 /nfs/dbraw/zinc/57/27/26/573572726.db2.gz IVAVTWNVLYMAFY-YUMQZZPRSA-N 0 0 189.230 1.141 10 0 ADAERN CCC1C[NH+](C[C@@H](C)C(=O)[O-])C1 86684700 573571107 /nfs/dbraw/zinc/57/11/07/573571107.db2.gz CWALLVVFDIZZMH-SSDOTTSWSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1ccccc1-n1nncc1C=O 75422627 573571109 /nfs/dbraw/zinc/57/11/09/573571109.db2.gz WAHAWEFDFBHGQS-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN C[C@@]1(c2cccc(F)c2)CNC(=O)N1 257832026 573571111 /nfs/dbraw/zinc/57/11/11/573571111.db2.gz JRHXQGPAVFMWAO-JTQLQIEISA-N 0 0 194.209 1.354 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCC[C@@H](C)C1 83611224 573571126 /nfs/dbraw/zinc/57/11/26/573571126.db2.gz CFJUUSLJBMCADX-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CC1(C)C[NH+]([C@](C)(C(=O)[O-])C2CC2)C1 86685500 573571145 /nfs/dbraw/zinc/57/11/45/573571145.db2.gz XBXIWPHYAKMESQ-NSHDSACASA-N 0 0 197.278 1.582 10 0 ADAERN COc1c(C)c(N)c2c(c1C)CCO2 75428066 573571152 /nfs/dbraw/zinc/57/11/52/573571152.db2.gz VYHAEBWVMIWIKM-UHFFFAOYSA-N 0 0 193.246 1.829 10 0 ADAERN O=Cc1cc2c(c3ccoc13)OCO2 75428010 573571157 /nfs/dbraw/zinc/57/11/57/573571157.db2.gz AGSPUQIIZDQPSH-UHFFFAOYSA-N 0 0 190.154 1.974 10 0 ADAERN COc1cc2c(c(N)c1OC)OCC2 75428058 573571295 /nfs/dbraw/zinc/57/12/95/573571295.db2.gz BVKZAUMWUGGYDV-UHFFFAOYSA-N 0 0 195.218 1.221 10 0 ADAERN C[C@H](O)/C=C/c1ccc(CO)cc1 238433588 573571164 /nfs/dbraw/zinc/57/11/64/573571164.db2.gz BRYCNUQUKHWTTD-HPOULIHZSA-N 0 0 178.231 1.573 10 0 ADAERN C[C@@H](O)[C@@H]1CCCCCC(=O)S1 238433689 573571172 /nfs/dbraw/zinc/57/11/72/573571172.db2.gz FJTDZNYVLPZDDZ-SFYZADRCSA-N 0 0 188.292 1.960 10 0 ADAERN CC1CC[NH+](C2(C(=O)[O-])CC2)CC1 86686209 573571185 /nfs/dbraw/zinc/57/11/85/573571185.db2.gz OPRXKWLCDDTNAJ-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H]1CCC(=O)[C@H](O)CC1 238444207 573572731 /nfs/dbraw/zinc/57/27/31/573572731.db2.gz JKWIBHAELCJUGU-RNFRBKRXSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H](C[NH+]1CC(C)(C)C1)C(=O)[O-] 86684668 573571197 /nfs/dbraw/zinc/57/11/97/573571197.db2.gz RGRHGOZGOCZMTI-ZETCQYMHSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H](C(=O)[O-])[NH+]1CC2(CCCC2)C1 86683419 573571203 /nfs/dbraw/zinc/57/12/03/573571203.db2.gz CMUAKLDXJRWLCU-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN COc1c(N)cc(C)c2c1CCO2 75428068 573571222 /nfs/dbraw/zinc/57/12/22/573571222.db2.gz FKLXEOCITKMVCQ-UHFFFAOYSA-N 0 0 179.219 1.521 10 0 ADAERN C[C@H]1C=CCC[C@@]1(C)C(N)=O 238443877 573571225 /nfs/dbraw/zinc/57/12/25/573571225.db2.gz SJNMIJLSIFCRCC-IONNQARKSA-N 0 0 153.225 1.464 10 0 ADAERN C[NH2+]C1(CC(=O)[O-])CCC(C)CC1 83611707 573571230 /nfs/dbraw/zinc/57/12/30/573571230.db2.gz LOXNFOHYQXDSQJ-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H](O)[C@@H]1CCC=CO1 238433499 573571234 /nfs/dbraw/zinc/57/12/34/573571234.db2.gz XUALZUHGZNAITD-RQJHMYQMSA-N 0 0 128.171 1.060 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]1[NH+]1CC2(CC2)C1 86685693 573571253 /nfs/dbraw/zinc/57/12/53/573571253.db2.gz NQRUXYMHBAXFFO-DTWKUNHWSA-N 0 0 195.262 1.336 10 0 ADAERN CC1(C)C[NH+]([C@@H](C(=O)[O-])C(C)(C)C)C1 86685031 573571266 /nfs/dbraw/zinc/57/12/66/573571266.db2.gz WJULWXFURVGUKG-QMMMGPOBSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1CC[N@@H+]1C1(CC(=O)[O-])CCCC1 86685557 573571269 /nfs/dbraw/zinc/57/12/69/573571269.db2.gz ZKBCKVNIQMINFQ-VIFPVBQESA-N 0 0 197.278 1.868 10 0 ADAERN CC1(C2CCCC2)CNC(=O)NC1 257831963 573571270 /nfs/dbraw/zinc/57/12/70/573571270.db2.gz JWKFZHLXRPMSFD-UHFFFAOYSA-N 0 0 182.267 1.496 10 0 ADAERN CCC(CC)CNC(=O)CCCO 130509005 573571299 /nfs/dbraw/zinc/57/12/99/573571299.db2.gz YFTNIEIQMUSFBM-UHFFFAOYSA-N 0 0 187.283 1.311 10 0 ADAERN CCC[C@H]([NH2+]C)[C@@H]1C[C@H]1C(=O)[O-] 259113598 573571303 /nfs/dbraw/zinc/57/13/03/573571303.db2.gz AXTCIGKZKYSHFL-PRJMDXOYSA-N 0 0 171.240 1.095 10 0 ADAERN CC1(C)C[NH+]([C@@](C)(C(=O)[O-])C2CC2)C1 86685501 573571323 /nfs/dbraw/zinc/57/13/23/573571323.db2.gz XBXIWPHYAKMESQ-LLVKDONJSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H]1C(=O)CCCC[C@@H]1O 238444225 573571326 /nfs/dbraw/zinc/57/13/26/573571326.db2.gz CAOVBUXIWXLHEL-RQJHMYQMSA-N 0 0 142.198 1.127 10 0 ADAERN Brc1ccc2c(c1)NNC2 258064489 573571328 /nfs/dbraw/zinc/57/13/28/573571328.db2.gz TUOPCFWKQMEQEV-UHFFFAOYSA-N 0 0 199.051 1.879 10 0 ADAERN CC[NH+](CC)C[C@H]1CCC[C@H]1C(=O)[O-] 86686347 573571345 /nfs/dbraw/zinc/57/13/45/573571345.db2.gz KCXZKDLXLOTMHQ-NXEZZACHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H](O)CC1 238443994 573571357 /nfs/dbraw/zinc/57/13/57/573571357.db2.gz JKWIBHAELCJUGU-BQBZGAKWSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH+]1CC2(CCC2)C1 86683637 573571401 /nfs/dbraw/zinc/57/14/01/573571401.db2.gz RSLFKHRFTFZTAF-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN COc1c(C=O)c(C)cc2c1CCO2 75428051 573571376 /nfs/dbraw/zinc/57/13/76/573571376.db2.gz HZVRPSPWMNCFCC-UHFFFAOYSA-N 0 0 192.214 1.751 10 0 ADAERN C[C@H](O)/C=C/[C@@H]1CCCCO1 238433229 573571377 /nfs/dbraw/zinc/57/13/77/573571377.db2.gz NWJOJLZNRKIEIK-MUNZNRDXSA-N 0 0 156.225 1.493 10 0 ADAERN C[C@H](C[NH+]1CC2(CCCC2)C1)C(=O)[O-] 86684698 573571378 /nfs/dbraw/zinc/57/13/78/573571378.db2.gz RUQCQCKUVIAECL-SECBINFHSA-N 0 0 197.278 1.583 10 0 ADAERN C[C@@H]1C(=O)CC(C)(C)C[C@H]2O[C@H]12 238445763 573571403 /nfs/dbraw/zinc/57/14/03/573571403.db2.gz CTCBURFOYZJNFC-FTLITQJKSA-N 0 0 168.236 1.779 10 0 ADAERN C=Cn1ccc([C@H](C)O)c1 238443880 573571429 /nfs/dbraw/zinc/57/14/29/573571429.db2.gz HQAJVAKQMNTFSC-ZETCQYMHSA-N 0 0 137.182 1.642 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@@H]1CC[C@H](C(=O)[O-])C1 86686497 573571431 /nfs/dbraw/zinc/57/14/31/573571431.db2.gz ZRHPEDGHNFHQSL-XHNCKOQMSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H](NOC(C)(C)C)[C@@H]1CCCO1 393537474 573571433 /nfs/dbraw/zinc/57/14/33/573571433.db2.gz JXKXEUDPDZWYDS-BDAKNGLRSA-N 0 0 187.283 1.874 10 0 ADAERN Nc1ccc([C@H](O)C2=CCCO2)cc1 236368058 573571442 /nfs/dbraw/zinc/57/14/42/573571442.db2.gz VZYIYNPBRYTYSW-NSHDSACASA-N 0 0 191.230 1.606 10 0 ADAERN C[C@@H]1CCC(=O)C[C@H]1CCO 238433589 573571448 /nfs/dbraw/zinc/57/14/48/573571448.db2.gz JZFQMSKIZREECB-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CC(C)C[C@H]1OC[C@H](C(C)C)NC1=O 224342810 573571458 /nfs/dbraw/zinc/57/14/58/573571458.db2.gz UADJCBLXIUUDDQ-NXEZZACHSA-N 0 0 199.294 1.572 10 0 ADAERN COC(=O)C1(C2(C)COC2)CCC1 258783306 573571467 /nfs/dbraw/zinc/57/14/67/573571467.db2.gz VBGJWWJOFYFVGX-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN COc1c(O)cc(CC(C)=O)cc1F 258064785 573571471 /nfs/dbraw/zinc/57/14/71/573571471.db2.gz LQXAWXNYCBNMBJ-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN CC[C@@H](C(=O)[O-])[NH+]1CC2(CCC2)C1 86683747 573571477 /nfs/dbraw/zinc/57/14/77/573571477.db2.gz OMUSYADAMIVKGI-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@H+]1CC=CCC1 75423226 573571479 /nfs/dbraw/zinc/57/14/79/573571479.db2.gz USBOQLHRTLHOFP-VIFPVBQESA-N 0 0 183.251 1.358 10 0 ADAERN C[NH+](C)C[C@@H]1CCCC[C@H]1C(=O)[O-] 86686312 573571483 /nfs/dbraw/zinc/57/14/83/573571483.db2.gz RCZKNKBZCXAXAP-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN Cc1cccc([C@@]2(C)NCCC2=O)c1 258782906 573571489 /nfs/dbraw/zinc/57/14/89/573571489.db2.gz GAPYKTFHWXTPEM-GFCCVEGCSA-N 0 0 189.258 1.773 10 0 ADAERN C[C@H]1CC[N@@H+]1C1CCC(C(=O)[O-])CC1 86684115 573571496 /nfs/dbraw/zinc/57/14/96/573571496.db2.gz PTYFMKVCJWHMLT-IDKOKCKLSA-N 0 0 197.278 1.724 10 0 ADAERN COc1c(CC(C)=O)ccc(F)c1O 258064771 573571514 /nfs/dbraw/zinc/57/15/14/573571514.db2.gz LQVCEMHUGWMHRV-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN C[C@H](CCO)C1CCC(=O)CC1 238433382 573571521 /nfs/dbraw/zinc/57/15/21/573571521.db2.gz OPOTYPYTVWMWPO-MRVPVSSYSA-N 0 0 170.252 1.764 10 0 ADAERN CC(C)C1C[NH+](C(C)(C)C(=O)[O-])C1 86684331 573571530 /nfs/dbraw/zinc/57/15/30/573571530.db2.gz JJJMBVGFNQZFAF-UHFFFAOYSA-N 0 0 185.267 1.437 10 0 ADAERN Cc1ncc([C@H](C)O)c(C)c1O 238444171 573571535 /nfs/dbraw/zinc/57/15/35/573571535.db2.gz IYFAXSKHHVEXLU-ZETCQYMHSA-N 0 0 167.208 1.457 10 0 ADAERN C[C@H](CC(=O)[O-])[NH+]1CC2(CCCC2)C1 86683655 573571537 /nfs/dbraw/zinc/57/15/37/573571537.db2.gz MVJXMWBKXQLYPH-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@@H]([NH3+])C1CCCC1 259113130 573571554 /nfs/dbraw/zinc/57/15/54/573571554.db2.gz ABQORKSDTNGKDT-UWVGGRQHSA-N 0 0 199.294 1.861 10 0 ADAERN CC1C[NH+](C2(CC(=O)[O-])CCCC2)C1 86685550 573571571 /nfs/dbraw/zinc/57/15/71/573571571.db2.gz YQBGHYHYQZISJD-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN C[NH+](C)C[C@H]1CCCC[C@@H]1C(=O)[O-] 86686310 573571581 /nfs/dbraw/zinc/57/15/81/573571581.db2.gz RCZKNKBZCXAXAP-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H](NOC(C)(C)C)[C@H]1CCCO1 393537475 573571582 /nfs/dbraw/zinc/57/15/82/573571582.db2.gz JXKXEUDPDZWYDS-DTWKUNHWSA-N 0 0 187.283 1.874 10 0 ADAERN CC(=O)O[C@@H]1C(=O)[C@@H](C)C[C@@H]1C 238433720 573571587 /nfs/dbraw/zinc/57/15/87/573571587.db2.gz ODHUIXSCORLGBB-WATHFIQWSA-N 0 0 170.208 1.163 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1CCCC[C@@H]1C(=O)[O-] 86685736 573571604 /nfs/dbraw/zinc/57/16/04/573571604.db2.gz HMMRHKUDSAFJMN-KXUCPTDWSA-N 0 0 197.278 1.724 10 0 ADAERN CC1(C)C[NH+]([C@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687083 573571614 /nfs/dbraw/zinc/57/16/14/573571614.db2.gz UNNIQFSVNPJGPJ-BDAKNGLRSA-N 0 0 195.262 1.358 10 0 ADAERN CC1C[NH+](C2CCC(C(=O)[O-])CC2)C1 86684102 573571637 /nfs/dbraw/zinc/57/16/37/573571637.db2.gz CHKCYPCNBNTPCV-UHFFFAOYSA-N 0 0 197.278 1.582 10 0 ADAERN CCCCC[N@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] 258782800 573571656 /nfs/dbraw/zinc/57/16/56/573571656.db2.gz BQOBLBSOLMGRKE-VHSXEESVSA-N 0 0 199.294 1.829 10 0 ADAERN COC(=O)Cc1cc(C2CC2)ns1 259514535 573571691 /nfs/dbraw/zinc/57/16/91/573571691.db2.gz WOOJCWQFRWVVAQ-UHFFFAOYSA-N 0 0 197.259 1.736 10 0 ADAERN Nc1ccc([C@@H](O)C2=CCCO2)cc1 236364309 573571692 /nfs/dbraw/zinc/57/16/92/573571692.db2.gz VZYIYNPBRYTYSW-LLVKDONJSA-N 0 0 191.230 1.606 10 0 ADAERN Cc1ccc2c(c1O)O[C@@H](O)C[C@@H]2C 238444360 573571698 /nfs/dbraw/zinc/57/16/98/573571698.db2.gz ZNOJOBNXXXTJPW-IONNQARKSA-N 0 0 194.230 1.905 10 0 ADAERN C[C@H]1CC[N@@H+]1C1(C(=O)[O-])CCCCC1 86684403 573571700 /nfs/dbraw/zinc/57/17/00/573571700.db2.gz UYTCPPAMLJDVBV-VIFPVBQESA-N 0 0 197.278 1.868 10 0 ADAERN C[C@@H]1CCCC(=O)[C@H](O)C1 238444264 573571723 /nfs/dbraw/zinc/57/17/23/573571723.db2.gz YLSSSHXSAMASMR-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H]1CC[N@@H+]1C(C)(C)CC(=O)[O-] 86685586 573571725 /nfs/dbraw/zinc/57/17/25/573571725.db2.gz XEIYSBNYZCUFKM-SSDOTTSWSA-N 0 0 171.240 1.334 10 0 ADAERN CCCC[C@@H]1NC(=O)[C@H]1C 211921551 573571726 /nfs/dbraw/zinc/57/17/26/573571726.db2.gz DWSDQEMPXNGBSH-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN CCCc1cnc(NCC)nc1 259514072 573571728 /nfs/dbraw/zinc/57/17/28/573571728.db2.gz RDIQCWWGBXIPTH-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN Nc1sc(-c2ccon2)cc1C=O 75427176 573571729 /nfs/dbraw/zinc/57/17/29/573571729.db2.gz OZQHTFCMHSVXCD-UHFFFAOYSA-N 0 0 194.215 1.798 10 0 ADAERN Cc1ccc(-n2nncc2C=O)cc1 75422642 573571732 /nfs/dbraw/zinc/57/17/32/573571732.db2.gz KYAUUSRSWPMOSJ-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN COc1ncccc1[C@@H]1CCCC1=O 238433444 573571746 /nfs/dbraw/zinc/57/17/46/573571746.db2.gz PDEBVTNPZVYJKH-QMMMGPOBSA-N 0 0 191.230 1.927 10 0 ADAERN CCC[C@H]([NH2+]C)[C@@H]1C[C@@H]1C(=O)[O-] 259113591 573571747 /nfs/dbraw/zinc/57/17/47/573571747.db2.gz AXTCIGKZKYSHFL-CSMHCCOUSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@H](O)/C=C/[C@@](C)(O)c1ccccc1 238433288 573571753 /nfs/dbraw/zinc/57/17/53/573571753.db2.gz AQLDFWAHWNEZBC-SEOINYINSA-N 0 0 192.258 1.831 10 0 ADAERN O=Cc1ccc(O)c(-n2cccc2)c1 257831961 573571778 /nfs/dbraw/zinc/57/17/78/573571778.db2.gz JWFXFAZREAEVHL-UHFFFAOYSA-N 0 0 187.198 1.995 10 0 ADAERN CC[C@@H]1O[C@H](C)O[C@@H](O)[C@@H]1C 145735300 573571785 /nfs/dbraw/zinc/57/17/85/573571785.db2.gz SBCBIOOZGKSZSE-VGRMVHKJSA-N 0 0 160.213 1.112 10 0 ADAERN C[C@H]1C(=O)CC[C@@]12CCCCO2 238433679 573571788 /nfs/dbraw/zinc/57/17/88/573571788.db2.gz IPYZQAWHRVKTRT-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN COc1c(O)cc(C)c(F)c1F 238433525 573571791 /nfs/dbraw/zinc/57/17/91/573571791.db2.gz OGGXGWPCQNDHFX-UHFFFAOYSA-N 0 0 174.146 1.987 10 0 ADAERN O=Cc1cnnn1-c1ccc(F)cc1 75422601 573571803 /nfs/dbraw/zinc/57/18/03/573571803.db2.gz QGIGSCUWLWGGOP-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN COc1cccc([C@@](C)(CO)OC)c1 257831924 573571808 /nfs/dbraw/zinc/57/18/08/573571808.db2.gz JPFDEVNJTXSETP-LLVKDONJSA-N 0 0 196.246 1.549 10 0 ADAERN Cc1cccc2c1[C@@H](O)C2 257832042 573571813 /nfs/dbraw/zinc/57/18/13/573571813.db2.gz KHTZRZRWXGWCQD-QMMMGPOBSA-N 0 0 134.178 1.585 10 0 ADAERN Cc1nc(CCCO)nc2c1CCC2 257831836 573571834 /nfs/dbraw/zinc/57/18/34/573571834.db2.gz JNNMJPVEHKQZKE-UHFFFAOYSA-N 0 0 192.262 1.199 10 0 ADAERN CC1(C)C[NH+]([C@@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687084 573571847 /nfs/dbraw/zinc/57/18/47/573571847.db2.gz UNNIQFSVNPJGPJ-RKDXNWHRSA-N 0 0 195.262 1.358 10 0 ADAERN CC(=O)C(F)(F)[C@H]1CCCOC1 257831957 573571848 /nfs/dbraw/zinc/57/18/48/573571848.db2.gz JWBGKIOEXZEOPS-ZETCQYMHSA-N 0 0 178.178 1.637 10 0 ADAERN O=C([O-])[C@@H]1C=C[C@@H]([NH+]2CCCCC2)C1 86687136 573571859 /nfs/dbraw/zinc/57/18/59/573571859.db2.gz XLPKSKJYVXDIJP-NXEZZACHSA-N 0 0 195.262 1.502 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@H](C(=O)[O-])C1 86684882 573571863 /nfs/dbraw/zinc/57/18/63/573571863.db2.gz ZMKROUVQDWTBNV-KXUCPTDWSA-N 0 0 197.278 1.724 10 0 ADAERN CC1(C)C[NH+]([C@H]2CCC[C@@H]2C(=O)[O-])C1 86685619 573571875 /nfs/dbraw/zinc/57/18/75/573571875.db2.gz JFBMLZDZIGERAF-IUCAKERBSA-N 0 0 197.278 1.582 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]1[NH+]1CC2(CC2)C1 86685698 573571892 /nfs/dbraw/zinc/57/18/92/573571892.db2.gz NQRUXYMHBAXFFO-BDAKNGLRSA-N 0 0 195.262 1.336 10 0 ADAERN Nc1ccc(N2CCCCO2)cc1N 236368475 573571893 /nfs/dbraw/zinc/57/18/93/573571893.db2.gz UOMKFPXYOOBGAA-UHFFFAOYSA-N 0 0 193.250 1.383 10 0 ADAERN CC(C)(O)CC1(C)CC1 259513697 573572770 /nfs/dbraw/zinc/57/27/70/573572770.db2.gz ZRPINPGOJSVDKI-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN CC(C)[NH2+][C@@H]1C=C[C@@H](C(=O)[O-])C1 86687101 573571922 /nfs/dbraw/zinc/57/19/22/573571922.db2.gz RHJMAUUYWHIKKV-HTQZYQBOSA-N 0 0 169.224 1.014 10 0 ADAERN CC1(C)[C@@H](CC(=O)[O-])CC[N@@H+]1C1CC1 259515730 573572007 /nfs/dbraw/zinc/57/20/07/573572007.db2.gz UVOIDBBJKJDCEH-MRVPVSSYSA-N 0 0 197.278 1.724 10 0 ADAERN O=Cc1c2c(cc3c1OCO3)CCO2 75428043 573571933 /nfs/dbraw/zinc/57/19/33/573571933.db2.gz ZLRYKKVSTHLOLR-UHFFFAOYSA-N 0 0 192.170 1.163 10 0 ADAERN C[C@H](O)c1ccnc([C@@H](C)O)c1 238443956 573571938 /nfs/dbraw/zinc/57/19/38/573571938.db2.gz IXPKPXBIGFYDAB-NKWVEPMBSA-N 0 0 167.208 1.188 10 0 ADAERN NNc1cn2c3c(cccc13)CCC2 259515600 573571941 /nfs/dbraw/zinc/57/19/41/573571941.db2.gz RDPZCMGWVVZJCV-UHFFFAOYSA-N 0 0 187.246 1.873 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@H]([NH3+])C1CCCC1 259113128 573571947 /nfs/dbraw/zinc/57/19/47/573571947.db2.gz ABQORKSDTNGKDT-NXEZZACHSA-N 0 0 199.294 1.861 10 0 ADAERN Cn1c(C=O)ccc1-c1ccc[nH]1 75426948 573571950 /nfs/dbraw/zinc/57/19/50/573571950.db2.gz WXGONTXEBNLJAS-UHFFFAOYSA-N 0 0 174.203 1.833 10 0 ADAERN CC(C)(O)c1cc2ccccc2nn1 259515917 573571958 /nfs/dbraw/zinc/57/19/58/573571958.db2.gz PFZWWDGXVQOMBR-UHFFFAOYSA-N 0 0 188.230 1.857 10 0 ADAERN CC1(C)C[NH+]([C@H](C(=O)[O-])C(C)(C)C)C1 86685033 573571959 /nfs/dbraw/zinc/57/19/59/573571959.db2.gz WJULWXFURVGUKG-MRVPVSSYSA-N 0 0 199.294 1.828 10 0 ADAERN CC(=O)NCC[C@H](O)c1ccsc1 585255586 573571963 /nfs/dbraw/zinc/57/19/63/573571963.db2.gz JANDYAHSWJQAKW-VIFPVBQESA-N 0 0 199.275 1.308 10 0 ADAERN O=Cc1c2c(cc3ccoc13)OCO2 75428004 573571967 /nfs/dbraw/zinc/57/19/67/573571967.db2.gz XUCYZRSACNOFSZ-UHFFFAOYSA-N 0 0 190.154 1.974 10 0 ADAERN CCOC(CCC(C)(C)O)OCC 257831994 573571981 /nfs/dbraw/zinc/57/19/81/573571981.db2.gz JQOZESIHCGFOPO-UHFFFAOYSA-N 0 0 190.283 1.937 10 0 ADAERN C[NH+](C)C[C@@H]1CCC[C@@H]1C(=O)[O-] 86686403 573572000 /nfs/dbraw/zinc/57/20/00/573572000.db2.gz SHONHOQQIUDYER-YUMQZZPRSA-N 0 0 171.240 1.049 10 0 ADAERN CC(C)[C@@H](O)[Si](C)(C)C 197056941 573572004 /nfs/dbraw/zinc/57/20/04/573572004.db2.gz JFCVNZWACORNGG-ZETCQYMHSA-N 0 0 146.306 1.881 10 0 ADAERN CC[C@@H](O)C[C@](C)(O)C(C)(C)C 238272529 573572017 /nfs/dbraw/zinc/57/20/17/573572017.db2.gz CSTYWLUNLXZNBQ-SCZZXKLOSA-N 0 0 174.284 1.945 10 0 ADAERN CC1C[NH+]([C@](C)(C(=O)[O-])C2CC2)C1 86685512 573572018 /nfs/dbraw/zinc/57/20/18/573572018.db2.gz JZXYXIRDBJIGJS-JTQLQIEISA-N 0 0 183.251 1.191 10 0 ADAERN CC1=CC[N@@H+](C(C)(C)C(=O)[O-])CC1 75423248 573572024 /nfs/dbraw/zinc/57/20/24/573572024.db2.gz ZEIPYGUGCBSZPH-UHFFFAOYSA-N 0 0 183.251 1.502 10 0 ADAERN CC1(C)C[NH+]([C@@H]2CCC[C@H]2C(=O)[O-])C1 86685621 573572025 /nfs/dbraw/zinc/57/20/25/573572025.db2.gz JFBMLZDZIGERAF-RKDXNWHRSA-N 0 0 197.278 1.582 10 0 ADAERN CC1C[NH+]([C@@H]2CCC[C@H](C(=O)[O-])C2)C1 86684853 573572035 /nfs/dbraw/zinc/57/20/35/573572035.db2.gz CJTRUAADQUSILT-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN O=C([O-])[C@H]1C=C[C@@H]([NH+]2CC3(CC3)C2)C1 86687219 573572043 /nfs/dbraw/zinc/57/20/43/573572043.db2.gz LTHYYDWBZATUHC-DTWKUNHWSA-N 0 0 193.246 1.112 10 0 ADAERN Cc1c[nH]cc1[C@@H](N)C(F)(F)F 238444324 573572044 /nfs/dbraw/zinc/57/20/44/573572044.db2.gz CUGACFXGWICWCY-ZCFIWIBFSA-N 0 0 178.157 1.885 10 0 ADAERN Cc1cccc([C@]2(C)NCCC2=O)c1 258782912 573572049 /nfs/dbraw/zinc/57/20/49/573572049.db2.gz GAPYKTFHWXTPEM-LBPRGKRZSA-N 0 0 189.258 1.773 10 0 ADAERN CC(=O)CC[C@H]1OCC[C@H]1C 238433239 573572050 /nfs/dbraw/zinc/57/20/50/573572050.db2.gz PECURIUBPZLSTH-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@@]([NH3+])(CCO)c1cccc(O)c1F 238433586 573572056 /nfs/dbraw/zinc/57/20/56/573572056.db2.gz PLQKJDZMGZTDSQ-SNVBAGLBSA-N 0 0 199.225 1.088 10 0 ADAERN CC[C@@H](C(=O)[O-])[NH+]1CC2(CCCC2)C1 86683759 573572060 /nfs/dbraw/zinc/57/20/60/573572060.db2.gz OUKUWZHDJDDQCK-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN C[C@H](C[NH+]1CC2(CCC2)C1)C(=O)[O-] 86684692 573572069 /nfs/dbraw/zinc/57/20/69/573572069.db2.gz XKYSZZDIWQSKEZ-MRVPVSSYSA-N 0 0 183.251 1.193 10 0 ADAERN CC(=O)C1(c2cccc(F)c2)COC1 258783231 573572070 /nfs/dbraw/zinc/57/20/70/573572070.db2.gz UZAWXMFYZOZYSJ-UHFFFAOYSA-N 0 0 194.205 1.683 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[NH+]1CC2(CCC2)C1 86683315 573572076 /nfs/dbraw/zinc/57/20/76/573572076.db2.gz JYZITPMYHVKEIY-VIFPVBQESA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)(/C=C\CO)/C=C\CO 78919664 573572113 /nfs/dbraw/zinc/57/21/13/573572113.db2.gz ITIXQCNEKAFDJN-GLIMQPGKSA-N 0 0 156.225 1.110 10 0 ADAERN COc1cc(N)ccc1N1CC(C)C1 86687423 573572114 /nfs/dbraw/zinc/57/21/14/573572114.db2.gz XXBKUSDSAGIGRO-UHFFFAOYSA-N 0 0 192.262 1.734 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH+]1CC2(CCCC2)C1 86683651 573572120 /nfs/dbraw/zinc/57/21/20/573572120.db2.gz MVJXMWBKXQLYPH-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CNC1(c2ccccc2Cl)COC1 258783333 573572124 /nfs/dbraw/zinc/57/21/24/573572124.db2.gz VBSJOJJUKSEOFZ-UHFFFAOYSA-N 0 0 197.665 1.785 10 0 ADAERN CC(C)[C@@H]([NH3+])CC(C)(C)C(=O)[O-] 259514874 573572127 /nfs/dbraw/zinc/57/21/27/573572127.db2.gz VLMPFZXPVPNVKG-ZETCQYMHSA-N 0 0 173.256 1.471 10 0 ADAERN CC1C[NH+]([C@@H]2CCC[C@@H]2C(=O)[O-])C1 86685641 573572131 /nfs/dbraw/zinc/57/21/31/573572131.db2.gz MRPDFBCNPXNYBF-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@H]1C 86683337 573572146 /nfs/dbraw/zinc/57/21/46/573572146.db2.gz IEBZWGKYRIAKTN-SFYZADRCSA-N 0 0 171.240 1.190 10 0 ADAERN O=C([O-])/C=C\[N@@H+]1CCC2(CCC2)C1 380379431 573572168 /nfs/dbraw/zinc/57/21/68/573572168.db2.gz MUFKJZRZUVDUGK-KXFIGUGUSA-N 0 0 181.235 1.461 10 0 ADAERN CC1C[NH+]([C@@H]2CC[C@H](C(=O)[O-])C2)C1 86686468 573572198 /nfs/dbraw/zinc/57/21/98/573572198.db2.gz UTBYMPSAAHERMX-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN CC[C@@H](C(=O)OC)c1nc(C)c(C)[nH]1 258783364 573572202 /nfs/dbraw/zinc/57/22/02/573572202.db2.gz VCLLLGMUSARRON-MRVPVSSYSA-N 0 0 196.250 1.693 10 0 ADAERN O=C([O-])C1([NH+]2CC3(CC3)C2)CCCC1 86684392 573572223 /nfs/dbraw/zinc/57/22/23/573572223.db2.gz NJJAQOLKRGHRTI-UHFFFAOYSA-N 0 0 195.262 1.480 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@](C)(C(=O)[O-])C1CC1 86685526 573572229 /nfs/dbraw/zinc/57/22/29/573572229.db2.gz GFHZDPZZXSDNJP-XCBNKYQSSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H](O)C1=CCCC[C@H]1[C@@H](C)O 238433617 573572236 /nfs/dbraw/zinc/57/22/36/573572236.db2.gz YBVGONQSOIMKDV-XKSSXDPKSA-N 0 0 170.252 1.475 10 0 ADAERN Nc1cccc(N2CC3(CC3)C2)c1 86687483 573572263 /nfs/dbraw/zinc/57/22/63/573572263.db2.gz IFIDVQFYOOKXIG-UHFFFAOYSA-N 0 0 174.247 1.869 10 0 ADAERN CC1(C)C[NH+](CCCCC(=O)[O-])C1 86685158 573572269 /nfs/dbraw/zinc/57/22/69/573572269.db2.gz WIHJBHPUJQSVEK-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN CSc1cc(C)c(O)cc1CON 258064656 573572788 /nfs/dbraw/zinc/57/27/88/573572788.db2.gz HTKOBZSKERXUGE-UHFFFAOYSA-N 0 0 199.275 1.813 10 0 ADAERN CC1(C)C[NH+](C(C)(C)CC(=O)[O-])C1 86685568 573572288 /nfs/dbraw/zinc/57/22/88/573572288.db2.gz PJVKVCCCGFZMDT-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN CCC1C[NH+]([C@@H]2CCC[C@H]2C(=O)[O-])C1 86685660 573574790 /nfs/dbraw/zinc/57/47/90/573574790.db2.gz IVNPTBLQDDOIHI-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN CC1C[NH+]([C@@H](C)CCC(=O)[O-])C1 86685211 573572297 /nfs/dbraw/zinc/57/22/97/573572297.db2.gz QZHAAIBCIRRZDT-QMMMGPOBSA-N 0 0 171.240 1.191 10 0 ADAERN CCCCC[N@H+](C)C[C@H]1C[C@@H]1C(=O)[O-] 258782804 573572300 /nfs/dbraw/zinc/57/23/00/573572300.db2.gz BQOBLBSOLMGRKE-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86683364 573572305 /nfs/dbraw/zinc/57/23/05/573572305.db2.gz IPVBAYAQCSYONO-MRVPVSSYSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H]1C(=O)CC[C@@]1(C)CCO 238433624 573572307 /nfs/dbraw/zinc/57/23/07/573572307.db2.gz HJXZUOMPDINXPY-CBAPKCEASA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H]1CCO[C@@H]2CC[C@@H](O)C[C@@H]12 238433387 573572326 /nfs/dbraw/zinc/57/23/26/573572326.db2.gz ALIFBHYVJVKQMH-DOLQZWNJSA-N 0 0 170.252 1.572 10 0 ADAERN CCOC(=O)/C=C\CC/C=C\[C@H](C)O 308635112 573572341 /nfs/dbraw/zinc/57/23/41/573572341.db2.gz YBHVUGSFLGPWBK-JYPUIUQTSA-N 0 0 198.262 1.823 10 0 ADAERN O=C([O-])[C@H](C1CC1)[NH+]1CC2(CCC2)C1 86684744 573572354 /nfs/dbraw/zinc/57/23/54/573572354.db2.gz CKYYSWDFPYXRRN-VIFPVBQESA-N 0 0 195.262 1.336 10 0 ADAERN COC1C(=O)C=C(C(F)F)NC1=O 238433257 573572355 /nfs/dbraw/zinc/57/23/55/573572355.db2.gz YOLORPAIRCZXFQ-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN CCC1C[NH+](C2(C(=O)[O-])CCCC2)C1 86684381 573572362 /nfs/dbraw/zinc/57/23/62/573572362.db2.gz AOLMSUDDOVRJPD-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN COC(=O)c1nc(CC(C)C)c[nH]1 259113556 573572364 /nfs/dbraw/zinc/57/23/64/573572364.db2.gz PJEOCRVNPFAEDW-UHFFFAOYSA-N 0 0 182.223 1.395 10 0 ADAERN CC1C[NH+]([C@H]2CCC[C@H](C(=O)[O-])C2)C1 86684855 573572368 /nfs/dbraw/zinc/57/23/68/573572368.db2.gz CJTRUAADQUSILT-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CC1(C)C[NH+]([C@H]2CC[C@H](C(=O)[O-])C2)C1 86686442 573572381 /nfs/dbraw/zinc/57/23/81/573572381.db2.gz BTNIKJUUMAYWSJ-IUCAKERBSA-N 0 0 197.278 1.582 10 0 ADAERN CCCCOC[C@H](O)CCCCO 78923277 573572392 /nfs/dbraw/zinc/57/23/92/573572392.db2.gz KKQANUKKIVTZQP-SNVBAGLBSA-N 0 0 190.283 1.327 10 0 ADAERN CC(C)c1c[nH]c(C2(CO)CC2)n1 259113468 573572411 /nfs/dbraw/zinc/57/24/11/573572411.db2.gz PIOCXFKHMVKYPA-UHFFFAOYSA-N 0 0 180.251 1.557 10 0 ADAERN CC1C[NH+]([C@H](C(=O)[O-])C(C)C)C1 86683322 573572414 /nfs/dbraw/zinc/57/24/14/573572414.db2.gz DUJSWPXTMCZYJS-QMMMGPOBSA-N 0 0 171.240 1.047 10 0 ADAERN OC1(c2cccc3ocnc23)CC1 258064546 573572419 /nfs/dbraw/zinc/57/24/19/573572419.db2.gz TVDGDCSBRTVIPM-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN C[C@@H]1CCN2C(=O)CCC[C@@H]2C1 238433266 573572434 /nfs/dbraw/zinc/57/24/34/573572434.db2.gz WQUHBTKLZMFPPU-RKDXNWHRSA-N 0 0 167.252 1.797 10 0 ADAERN C[C@H](CC(=O)[O-])[NH+]1CC(C(C)(C)C)C1 86683694 573572494 /nfs/dbraw/zinc/57/24/94/573572494.db2.gz OUUVWOHVYFXKFU-MRVPVSSYSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1C(=O)c2ccc(F)cc2[C@H]1O 238444164 573572524 /nfs/dbraw/zinc/57/25/24/573572524.db2.gz SMUBNKMFMSPDBO-RRAGMBSWSA-N 0 0 180.178 1.692 10 0 ADAERN CCOC(=O)/C=C\CC/C=C/[C@@H](C)O 308635115 573572800 /nfs/dbraw/zinc/57/28/00/573572800.db2.gz YBHVUGSFLGPWBK-NXIBVSPBSA-N 0 0 198.262 1.823 10 0 ADAERN CC1=CC[C@H]([C@@]2(C)CO2)C[C@@H]1O 59898255 573572535 /nfs/dbraw/zinc/57/25/35/573572535.db2.gz KHUGQCWYYOUPSO-LPEHRKFASA-N 0 0 168.236 1.493 10 0 ADAERN Fc1ccnc(C[C@@H]2CCCCO2)n1 689972369 573572551 /nfs/dbraw/zinc/57/25/51/573572551.db2.gz SHCPGKXOGGVJRD-QMMMGPOBSA-N 0 0 196.225 1.727 10 0 ADAERN CCOC(=O)/C=C\CC/C=C/[C@H](C)O 308635111 573572555 /nfs/dbraw/zinc/57/25/55/573572555.db2.gz YBHVUGSFLGPWBK-GPVNUQEXSA-N 0 0 198.262 1.823 10 0 ADAERN CC1(C)C[NH+]([C@H]2CC[C@@H](C(=O)[O-])C2)C1 86686447 573572560 /nfs/dbraw/zinc/57/25/60/573572560.db2.gz BTNIKJUUMAYWSJ-BDAKNGLRSA-N 0 0 197.278 1.582 10 0 ADAERN CNCNc1ccc(F)cc1F 258783036 573572569 /nfs/dbraw/zinc/57/25/69/573572569.db2.gz BTJUIOHBUILJQD-UHFFFAOYSA-N 0 0 172.178 1.554 10 0 ADAERN CCC1C[NH+]([C@H]2CCC[C@@H]2C(=O)[O-])C1 86685658 573572574 /nfs/dbraw/zinc/57/25/74/573572574.db2.gz IVNPTBLQDDOIHI-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)(C(=O)[O-])[NH+]1CC2(CCCC2)C1 86684318 573572594 /nfs/dbraw/zinc/57/25/94/573572594.db2.gz YRGFKZYECVJITE-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CC1=C[C@H](O)CC[C@H]1C 238444377 573572625 /nfs/dbraw/zinc/57/26/25/573572625.db2.gz JYJKIDRENZOVGU-HTRCEHHLSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H]1CC[N@@H+]1C(C)(C)C(C)(C)C(=O)[O-] 86686073 573572808 /nfs/dbraw/zinc/57/28/08/573572808.db2.gz VLIDGJHEXAMOSZ-QMMMGPOBSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H](C(=O)OC)c1nc(C)c(C)[nH]1 258783366 573572812 /nfs/dbraw/zinc/57/28/12/573572812.db2.gz VCLLLGMUSARRON-QMMMGPOBSA-N 0 0 196.250 1.693 10 0 ADAERN CC1(C)C[NH+]([C@H]2C=C[C@H](C(=O)[O-])C2)C1 86687086 573572835 /nfs/dbraw/zinc/57/28/35/573572835.db2.gz UNNIQFSVNPJGPJ-IUCAKERBSA-N 0 0 195.262 1.358 10 0 ADAERN OCC[C@@H]1C[NH2+]Cc2ccc(F)cc21 257832393 573572843 /nfs/dbraw/zinc/57/28/43/573572843.db2.gz JSBIAMSBTZBOPL-SECBINFHSA-N 0 0 195.237 1.395 10 0 ADAERN C[C@H](C[C@@H]1CCCS1)ON 259513315 573572855 /nfs/dbraw/zinc/57/28/55/573572855.db2.gz RVNMSACBUZLMHA-RQJHMYQMSA-N 0 0 161.270 1.551 10 0 ADAERN CC[C@H](C(=O)[O-])[NH+]1CC2(CCCC2)C1 86683762 573572858 /nfs/dbraw/zinc/57/28/58/573572858.db2.gz OUKUWZHDJDDQCK-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN Nc1nc(-n2cccn2)c(F)cc1F 236365767 573572861 /nfs/dbraw/zinc/57/28/61/573572861.db2.gz LYKWPAMFATWEDG-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CC(C)(C)[C@@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86685079 573572866 /nfs/dbraw/zinc/57/28/66/573572866.db2.gz CDNJOLWMOJSWRZ-MRVPVSSYSA-N 0 0 197.278 1.582 10 0 ADAERN CC1(C)C[NH+]([C@@H](C(=O)[O-])C2CC2)C1 86684730 573572881 /nfs/dbraw/zinc/57/28/81/573572881.db2.gz UPIJZZSNMBXYKH-MRVPVSSYSA-N 0 0 183.251 1.191 10 0 ADAERN CCC[C@H]([NH2+]C)[C@H]1C[C@H]1C(=O)[O-] 259113600 573572883 /nfs/dbraw/zinc/57/28/83/573572883.db2.gz AXTCIGKZKYSHFL-RNJXMRFFSA-N 0 0 171.240 1.095 10 0 ADAERN CC1(C)C[NH+]([C@@H]2CCC[C@@H]2C(=O)[O-])C1 86685618 573572888 /nfs/dbraw/zinc/57/28/88/573572888.db2.gz JFBMLZDZIGERAF-DTWKUNHWSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H](C(=O)[O-])[NH+]1CC(C(C)(C)C)C1 86683465 573574710 /nfs/dbraw/zinc/57/47/10/573574710.db2.gz QLQXFDDTQTWOON-ZETCQYMHSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@@H]1C=C[C@H](C)[C@@H](O)C1 238444652 573574712 /nfs/dbraw/zinc/57/47/12/573574712.db2.gz OSTLYDIWHKXBKV-CSMHCCOUSA-N 0 0 126.199 1.579 10 0 ADAERN CC1C[NH+]([C@H]2CCCC[C@@H]2C(=O)[O-])C1 86685722 573574720 /nfs/dbraw/zinc/57/47/20/573574720.db2.gz CENOVWCDCOVZMJ-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN O=C([O-])C1([NH+]2CC3(CCCC3)C2)CC1 86686211 573574725 /nfs/dbraw/zinc/57/47/25/573574725.db2.gz KIYLUCXQHQKEAV-UHFFFAOYSA-N 0 0 195.262 1.480 10 0 ADAERN Cc1ccc(CCO)c(Cl)c1O 258065059 573574729 /nfs/dbraw/zinc/57/47/29/573574729.db2.gz LVLJFSUNGAQSRY-UHFFFAOYSA-N 0 0 186.638 1.889 10 0 ADAERN C[C@@H]1CC[N@@H+]1C1(C(=O)[O-])CCCC1 86684383 573574733 /nfs/dbraw/zinc/57/47/33/573574733.db2.gz ZGJICDHTODAUMO-MRVPVSSYSA-N 0 0 183.251 1.478 10 0 ADAERN CC1C[NH+]([C@H]2CCCC[C@H]2C(=O)[O-])C1 86685727 573574770 /nfs/dbraw/zinc/57/47/70/573574770.db2.gz CENOVWCDCOVZMJ-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CCC1C[NH+]([C@H]2CC[C@@H](C(=O)[O-])C2)C1 86686493 573573901 /nfs/dbraw/zinc/57/39/01/573573901.db2.gz IYUFQRJRGFGVBJ-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H](C(=O)[O-])[NH+]1CC2(CCCCC2)C1 86683378 573573912 /nfs/dbraw/zinc/57/39/12/573573912.db2.gz NDVSWVUFKNQUCS-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN C[C@](C(=O)[O-])(C1CC1)[NH+]1CC2(CC2)C1 86685540 573573916 /nfs/dbraw/zinc/57/39/16/573573916.db2.gz DQEGYJWYVMSCDV-SNVBAGLBSA-N 0 0 195.262 1.336 10 0 ADAERN CCC[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683894 573573922 /nfs/dbraw/zinc/57/39/22/573573922.db2.gz MVRHWSFUXFAQDU-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN O[C@H]1c2cccc3c2[C@@H](CCC3)[C@@H]1O 197417829 573573926 /nfs/dbraw/zinc/57/39/26/573573926.db2.gz QSGZHMBOKGXBLL-USWWRNFRSA-N 0 0 190.242 1.514 10 0 ADAERN CC1CN(c2cccc(N)c2)C1 86687474 573573930 /nfs/dbraw/zinc/57/39/30/573573930.db2.gz GXVONRIJKPKTKN-UHFFFAOYSA-N 0 0 162.236 1.725 10 0 ADAERN C[C@H]1CC[N@@H+]1C[C@@H]1CCC[C@@H]1C(=O)[O-] 86686386 573573943 /nfs/dbraw/zinc/57/39/43/573573943.db2.gz AUKFKSXWUCPGSZ-GUBZILKMSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)(C)[C@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86685080 573573955 /nfs/dbraw/zinc/57/39/55/573573955.db2.gz CDNJOLWMOJSWRZ-QMMMGPOBSA-N 0 0 197.278 1.582 10 0 ADAERN CCC1C[NH+]([C@@H]2C=C[C@H](C(=O)[O-])C2)C1 86687156 573573961 /nfs/dbraw/zinc/57/39/61/573573961.db2.gz KPMCBXHVOVJYJB-VHSXEESVSA-N 0 0 195.262 1.358 10 0 ADAERN NC(=O)C1=CC(F)(F)C=CC1(F)F 197404300 573573970 /nfs/dbraw/zinc/57/39/70/573573970.db2.gz KOWDDYOAJKDGFL-UHFFFAOYSA-N 0 0 195.115 1.239 10 0 ADAERN CCN1Cc2cc(C(C)=O)cnc2C1 257829738 573573971 /nfs/dbraw/zinc/57/39/71/573573971.db2.gz IVCGWHHVQPSMKB-UHFFFAOYSA-N 0 0 190.246 1.620 10 0 ADAERN CCC1C[NH+]([C@@H]2CCC[C@@H]2C(=O)[O-])C1 86685655 573573973 /nfs/dbraw/zinc/57/39/73/573573973.db2.gz IVNPTBLQDDOIHI-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN CC1C[NH+]([C@H]2CCC[C@@H]2C(=O)[O-])C1 86685643 573573981 /nfs/dbraw/zinc/57/39/81/573573981.db2.gz MRPDFBCNPXNYBF-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[NH+]1CC2(CC2)C1 86683361 573573992 /nfs/dbraw/zinc/57/39/92/573573992.db2.gz IPVBAYAQCSYONO-QMMMGPOBSA-N 0 0 183.251 1.191 10 0 ADAERN O[C@@H]1[C@H](O)c2cccc3c2[C@H]1CCC3 197417843 573574006 /nfs/dbraw/zinc/57/40/06/573574006.db2.gz QSGZHMBOKGXBLL-JLLWLGSASA-N 0 0 190.242 1.514 10 0 ADAERN CC(=O)[C@@]1(C)CCSC1 259513473 573574805 /nfs/dbraw/zinc/57/48/05/573574805.db2.gz ZQSPEOAGSDEERP-ZETCQYMHSA-N 0 0 144.239 1.719 10 0 ADAERN OCCC1=CC=CC=C(CCO)C=C1 308634373 573574014 /nfs/dbraw/zinc/57/40/14/573574014.db2.gz XHFNYWQBNYOHBM-UHFFFAOYSA-N 0 0 192.258 1.730 10 0 ADAERN C[C@@H](C[NH+]1CC2(CCCC2)C1)C(=O)[O-] 86684697 573574015 /nfs/dbraw/zinc/57/40/15/573574015.db2.gz RUQCQCKUVIAECL-VIFPVBQESA-N 0 0 197.278 1.583 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1CC[C@H](C(=O)[O-])C1 86686495 573574038 /nfs/dbraw/zinc/57/40/38/573574038.db2.gz ZRHPEDGHNFHQSL-HRDYMLBCSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H](C[NH+]1CC(C)(C)C1)C(=O)[O-] 86684669 573574200 /nfs/dbraw/zinc/57/42/00/573574200.db2.gz RGRHGOZGOCZMTI-SSDOTTSWSA-N 0 0 171.240 1.049 10 0 ADAERN O=Cc1cc(Cl)nc(N2CCC2)c1 258064566 573574058 /nfs/dbraw/zinc/57/40/58/573574058.db2.gz KXVBCQJKUCQIHJ-UHFFFAOYSA-N 0 0 196.637 1.758 10 0 ADAERN CC(C)(ON)c1ccccc1F 259513414 573574082 /nfs/dbraw/zinc/57/40/82/573574082.db2.gz RZIQIIYONJHFFT-UHFFFAOYSA-N 0 0 169.199 1.951 10 0 ADAERN CC1C[NH+]([C@@](C)(C(=O)[O-])C2CC2)C1 86685514 573574086 /nfs/dbraw/zinc/57/40/86/573574086.db2.gz JZXYXIRDBJIGJS-SNVBAGLBSA-N 0 0 183.251 1.191 10 0 ADAERN CC[N@@H+]1CC[C@H]([C@H](F)CC(=O)[O-])C1 257829733 573574087 /nfs/dbraw/zinc/57/40/87/573574087.db2.gz IVAVTWNVLYMAFY-JGVFFNPUSA-N 0 0 189.230 1.141 10 0 ADAERN Cc1cc(-c2nnc(N)o2)sc1C 83631290 573574101 /nfs/dbraw/zinc/57/41/01/573574101.db2.gz IMUKLUKNMZGYBP-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN C[C@H](C(=O)[O-])[NH+]1CC2(CCCCC2)C1 86683381 573574109 /nfs/dbraw/zinc/57/41/09/573574109.db2.gz NDVSWVUFKNQUCS-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC(=O)NCC[C@@H](O)c1ccsc1 585255585 573574129 /nfs/dbraw/zinc/57/41/29/573574129.db2.gz JANDYAHSWJQAKW-SECBINFHSA-N 0 0 199.275 1.308 10 0 ADAERN CC1C[NH+]([C@@H]2CC[C@@H](C(=O)[O-])C2)C1 86686472 573574137 /nfs/dbraw/zinc/57/41/37/573574137.db2.gz UTBYMPSAAHERMX-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN CCOC(=O)/C=C/CC/C=C\[C@H](C)O 308635109 573574144 /nfs/dbraw/zinc/57/41/44/573574144.db2.gz YBHVUGSFLGPWBK-FEVBYEMSSA-N 0 0 198.262 1.823 10 0 ADAERN CCC1C[NH+]([C@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687150 573574168 /nfs/dbraw/zinc/57/41/68/573574168.db2.gz KPMCBXHVOVJYJB-ZJUUUORDSA-N 0 0 195.262 1.358 10 0 ADAERN CCCN1C(=O)CCSC1=S 197414166 573574173 /nfs/dbraw/zinc/57/41/73/573574173.db2.gz UMNCAZWFUZLICA-UHFFFAOYSA-N 0 0 189.305 1.647 10 0 ADAERN Cc1cnc([C@@H]2CCC(=O)C2)o1 145279867 573574175 /nfs/dbraw/zinc/57/41/75/573574175.db2.gz MCWAAIVRGSEOKO-SSDOTTSWSA-N 0 0 165.192 1.820 10 0 ADAERN CC(C)C1C[NH+]([C@@H](C)C(=O)[O-])C1 86683452 573574179 /nfs/dbraw/zinc/57/41/79/573574179.db2.gz AFMJTRUJKAHCLN-ZETCQYMHSA-N 0 0 171.240 1.047 10 0 ADAERN CCCc1ccnc(C(=O)OC)n1 259113836 573574196 /nfs/dbraw/zinc/57/41/96/573574196.db2.gz OWVCHEQCCYDUMR-UHFFFAOYSA-N 0 0 180.207 1.216 10 0 ADAERN Cc1ccc(CCO)c(N(C)C)c1 259514995 573574210 /nfs/dbraw/zinc/57/42/10/573574210.db2.gz SEWZTXBNBOUEND-UHFFFAOYSA-N 0 0 179.263 1.596 10 0 ADAERN C[C@H](NOC(C)(C)C)[C@@H]1CCCO1 393537476 573574218 /nfs/dbraw/zinc/57/42/18/573574218.db2.gz JXKXEUDPDZWYDS-IUCAKERBSA-N 0 0 187.283 1.874 10 0 ADAERN C[NH+](C)C[C@@H]1CCCC[C@@H]1C(=O)[O-] 86686308 573574221 /nfs/dbraw/zinc/57/42/21/573574221.db2.gz RCZKNKBZCXAXAP-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1C(C)(C)O 238444524 573574234 /nfs/dbraw/zinc/57/42/34/573574234.db2.gz BVGVTCMLOVHHEO-FXQIFTODSA-N 0 0 158.241 1.164 10 0 ADAERN C[C@@H]1C[C@@]12CCC[C@@H]2O 238445083 573574241 /nfs/dbraw/zinc/57/42/41/573574241.db2.gz DCYWAJLLBLLOAP-CSMHCCOUSA-N 0 0 126.199 1.557 10 0 ADAERN C[NH+](C)C[C@@H]1CCC[C@H]1C(=O)[O-] 86686406 573574257 /nfs/dbraw/zinc/57/42/57/573574257.db2.gz SHONHOQQIUDYER-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1nc([C@H](C)O)sc1CCO 238444905 573574275 /nfs/dbraw/zinc/57/42/75/573574275.db2.gz RIVLVDKJAFKZOF-LURJTMIESA-N 0 0 187.264 1.040 10 0 ADAERN CC1C[NH+](C[C@H]2CCC[C@H]2C(=O)[O-])C1 86686362 573574296 /nfs/dbraw/zinc/57/42/96/573574296.db2.gz AIVCOYOAQLHBNN-NXEZZACHSA-N 0 0 197.278 1.439 10 0 ADAERN CC(=O)c1ccc(N(C)C2CC2)nc1 124665737 573574298 /nfs/dbraw/zinc/57/42/98/573574298.db2.gz LTBUVHUOVFIXMF-UHFFFAOYSA-N 0 0 190.246 1.883 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH+]1CC(C)(C)C1 86683606 573574301 /nfs/dbraw/zinc/57/43/01/573574301.db2.gz SFAAUUISBUOALQ-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1cccc2c1[C@@H](C(=O)[O-])[NH2+]C2 238445301 573574309 /nfs/dbraw/zinc/57/43/09/573574309.db2.gz ZRCQISXFSUYODX-VIFPVBQESA-N 0 0 177.203 1.224 10 0 ADAERN O=C([O-])[C@@H]1C=C[C@H]([NH+]2CCCCC2)C1 86687135 573574326 /nfs/dbraw/zinc/57/43/26/573574326.db2.gz XLPKSKJYVXDIJP-ZJUUUORDSA-N 0 0 195.262 1.502 10 0 ADAERN C[C@H]1CC(=O)[C@H]2CCCCN2C1 238444930 573574332 /nfs/dbraw/zinc/57/43/32/573574332.db2.gz CORZKGNKQACBQX-DTWKUNHWSA-N 0 0 167.252 1.450 10 0 ADAERN O=C([O-])C1([NH+]2CC3(CCC3)C2)CC1 86686206 573574334 /nfs/dbraw/zinc/57/43/34/573574334.db2.gz WRMCLUDUIMKAHM-UHFFFAOYSA-N 0 0 181.235 1.090 10 0 ADAERN C[C@H](C[C@H]1CCCS1)ON 259513314 573574337 /nfs/dbraw/zinc/57/43/37/573574337.db2.gz RVNMSACBUZLMHA-RNFRBKRXSA-N 0 0 161.270 1.551 10 0 ADAERN CCC1(CC)C[NH+]([C@@H](C)CC(=O)[O-])C1 86683627 573574338 /nfs/dbraw/zinc/57/43/38/573574338.db2.gz NOURWGYJDFGJDU-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCCC[C@@H]1C(=O)N[C@@H]1C 211921404 573574344 /nfs/dbraw/zinc/57/43/44/573574344.db2.gz XZNVBGWCLFTRNV-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN Cc1cccc2c1CCN(C#N)C2 238445054 573574346 /nfs/dbraw/zinc/57/43/46/573574346.db2.gz RXBQIPIQKQSGHE-UHFFFAOYSA-N 0 0 172.231 1.834 10 0 ADAERN C[C@@H]1CC[C@@H]2CCC(=O)N[C@@H]2C1 238444803 573574360 /nfs/dbraw/zinc/57/43/60/573574360.db2.gz PDGPNZKXKUNHQW-IWSPIJDZSA-N 0 0 167.252 1.701 10 0 ADAERN CC1C[NH+]([C@H]2CCC[C@H]2C(=O)[O-])C1 86685646 573574361 /nfs/dbraw/zinc/57/43/61/573574361.db2.gz MRPDFBCNPXNYBF-BDAKNGLRSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H]1C(N)=NO[C@H]1c1ccc(O)cc1 238444484 573574365 /nfs/dbraw/zinc/57/43/65/573574365.db2.gz XNBBCGFJFNREAT-HZGVNTEJSA-N 0 0 192.218 1.372 10 0 ADAERN COc1ccc(/C=C(\C)CO)cc1O 211920669 573574366 /nfs/dbraw/zinc/57/43/66/573574366.db2.gz NRHFBJAJUKIGAA-VMPITWQZSA-N 0 0 194.230 1.796 10 0 ADAERN CCC1C[NH+]([C@@H]2CC[C@@H](C(=O)[O-])C2)C1 86686491 573574367 /nfs/dbraw/zinc/57/43/67/573574367.db2.gz IYUFQRJRGFGVBJ-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)[NH2+][C@@H]1C=C[C@H](C(=O)[O-])C1 86687105 573574375 /nfs/dbraw/zinc/57/43/75/573574375.db2.gz RHJMAUUYWHIKKV-JGVFFNPUSA-N 0 0 169.224 1.014 10 0 ADAERN O=C1CCCNN1CC1CCCCC1 257829758 573574376 /nfs/dbraw/zinc/57/43/76/573574376.db2.gz IVRWHTZDGFDBBB-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN COC(=O)c1ccn(C)c1C1CC1 259513927 573574379 /nfs/dbraw/zinc/57/43/79/573574379.db2.gz CHSQQBGHKYPECZ-UHFFFAOYSA-N 0 0 179.219 1.689 10 0 ADAERN CC1C[NH+](C[C@@H]2CCC[C@@H]2C(=O)[O-])C1 86686357 573574389 /nfs/dbraw/zinc/57/43/89/573574389.db2.gz AIVCOYOAQLHBNN-UWVGGRQHSA-N 0 0 197.278 1.439 10 0 ADAERN CCC1C[NH+]([C@@H]2C=C[C@@H](C(=O)[O-])C2)C1 86687152 573574404 /nfs/dbraw/zinc/57/44/04/573574404.db2.gz KPMCBXHVOVJYJB-NXEZZACHSA-N 0 0 195.262 1.358 10 0 ADAERN C[C@@H]1CC[N@@H+]1C1CCC(C(=O)[O-])CC1 86684112 573574432 /nfs/dbraw/zinc/57/44/32/573574432.db2.gz PTYFMKVCJWHMLT-XNWIYYODSA-N 0 0 197.278 1.724 10 0 ADAERN CSc1c[nH]nc1Br 257832453 573574435 /nfs/dbraw/zinc/57/44/35/573574435.db2.gz JUDXMYZWQIDLNS-UHFFFAOYSA-N 0 0 193.069 1.894 10 0 ADAERN C[NH2+][C@H](CC(C)C)[C@@H](C)C(=O)[O-] 259113821 573574438 /nfs/dbraw/zinc/57/44/38/573574438.db2.gz AZODDYBCHUKHEI-HTQZYQBOSA-N 0 0 173.256 1.341 10 0 ADAERN CC1CC[NH+](C(C)(C)CC(=O)[O-])CC1 86685582 573574439 /nfs/dbraw/zinc/57/44/39/573574439.db2.gz OUWGNLJCGHQXGI-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)[C@H]1C[C@H](C2CCCCC2)N1 257832401 573574745 /nfs/dbraw/zinc/57/47/45/573574745.db2.gz JSFCYODCAFMQNC-NXEZZACHSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@](C)(C(=O)[O-])C1CC1 86685528 573574475 /nfs/dbraw/zinc/57/44/75/573574475.db2.gz GFHZDPZZXSDNJP-XVKPBYJWSA-N 0 0 183.251 1.334 10 0 ADAERN COC1=CC=CC2=NCC(=O)N12 257832619 573574481 /nfs/dbraw/zinc/57/44/81/573574481.db2.gz ACCZDQMXOSKIRL-UHFFFAOYSA-N 0 0 164.164 1.049 10 0 ADAERN CC(C)[C@H](C)N1Cc2cncnc2C1 585332263 573574485 /nfs/dbraw/zinc/57/44/85/573574485.db2.gz PBAIDENGTLPLHU-VIFPVBQESA-N 0 0 191.278 1.837 10 0 ADAERN O=c1ccc2cccoc-2c1 90658534 573574487 /nfs/dbraw/zinc/57/44/87/573574487.db2.gz VJBCBLLQDMITLJ-UHFFFAOYSA-N 0 0 146.145 1.745 10 0 ADAERN CC(C)(CC(=O)[O-])[NH+]1CC2(CC2)C1 86685599 573574490 /nfs/dbraw/zinc/57/44/90/573574490.db2.gz NBFWFOPDYMSLHJ-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN CC(C)C1C[NH+](C2(C(=O)[O-])CC2)C1 86686222 573574747 /nfs/dbraw/zinc/57/47/47/573574747.db2.gz KFYZUEZSXMGQNN-UHFFFAOYSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H](C(=O)[O-])[NH+]1CC2(CCCC2)C1 86683422 573574495 /nfs/dbraw/zinc/57/44/95/573574495.db2.gz CMUAKLDXJRWLCU-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@@H]1C(=O)[C@H]2C=CC=C[C@@H]1C2 238444814 573574505 /nfs/dbraw/zinc/57/45/05/573574505.db2.gz MBIXJWWTRJPMFY-YIZRAAEISA-N 0 0 148.205 1.954 10 0 ADAERN C[C@@H](ON)C1CCSCC1 259513401 573574507 /nfs/dbraw/zinc/57/45/07/573574507.db2.gz RYNJNJXTFUUETA-ZCFIWIBFSA-N 0 0 161.270 1.408 10 0 ADAERN CC[N@@H+]1CC[C@@H]([C@H](F)CC(=O)[O-])C1 257829731 573574509 /nfs/dbraw/zinc/57/45/09/573574509.db2.gz IVAVTWNVLYMAFY-HTQZYQBOSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@@H]1CCN1c1cccc(N)c1 86687488 573574527 /nfs/dbraw/zinc/57/45/27/573574527.db2.gz JPVQRNXSXRQFNK-MRVPVSSYSA-N 0 0 162.236 1.867 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@@H]1C(=O)[O-] 86685665 573574531 /nfs/dbraw/zinc/57/45/31/573574531.db2.gz ALSKXNQJTHUKQH-HRDYMLBCSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H]1[C@@H](CNC(N)=O)CCC1(C)C 238444710 573574543 /nfs/dbraw/zinc/57/45/43/573574543.db2.gz KINAIVGKUZIDCJ-JGVFFNPUSA-N 0 0 184.283 1.727 10 0 ADAERN OCCC[C@H]1N=C1c1ccccc1 238682804 573574547 /nfs/dbraw/zinc/57/45/47/573574547.db2.gz CHXANHFWVSRLPQ-SNVBAGLBSA-N 0 0 175.231 1.630 10 0 ADAERN Cc1ccc(C(C)(C)[NH3+])c(C(=O)[O-])c1 238444991 573574556 /nfs/dbraw/zinc/57/45/56/573574556.db2.gz CLMIBIGOQQUZBH-UHFFFAOYSA-N 0 0 193.246 1.887 10 0 ADAERN CC(C)(C)[C@]([NH3+])(C(=O)[O-])C(C)(C)F 257832454 573574563 /nfs/dbraw/zinc/57/45/63/573574563.db2.gz JUEOHDYVEBPOKF-SECBINFHSA-N 0 0 191.246 1.563 10 0 ADAERN CC(C)C1C[NH+]([C@H](C)C(=O)[O-])C1 86683454 573574572 /nfs/dbraw/zinc/57/45/72/573574572.db2.gz AFMJTRUJKAHCLN-SSDOTTSWSA-N 0 0 171.240 1.047 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]([NH+]2CC3(CC3)C2)C1 86686556 573574597 /nfs/dbraw/zinc/57/45/97/573574597.db2.gz TUVWCMBAIVLJTN-RKDXNWHRSA-N 0 0 195.262 1.336 10 0 ADAERN CN(C)CC(=O)c1cc(F)cc(F)c1 78676966 573574598 /nfs/dbraw/zinc/57/45/98/573574598.db2.gz ZKKHZRBWYGRTAM-UHFFFAOYSA-N 0 0 199.200 1.709 10 0 ADAERN CC1(C)C[NH+]([C@@H]2CC[C@@H](C(=O)[O-])C2)C1 86686444 573574603 /nfs/dbraw/zinc/57/46/03/573574603.db2.gz BTNIKJUUMAYWSJ-RKDXNWHRSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H]1CN[C@H](c2ccccc2)C(=O)O1 238445170 573574606 /nfs/dbraw/zinc/57/46/06/573574606.db2.gz MQHARNUWMTUFDE-WCBMZHEXSA-N 0 0 191.230 1.263 10 0 ADAERN Cc1cc(CNC=O)sc1C 83633944 573574636 /nfs/dbraw/zinc/57/46/36/573574636.db2.gz KSNJPNHHGHLRJH-UHFFFAOYSA-N 0 0 169.249 1.611 10 0 ADAERN O=C([O-])[C@@H]1C=C[C@@H]([NH+]2CC3(CC3)C2)C1 86687215 573574641 /nfs/dbraw/zinc/57/46/41/573574641.db2.gz LTHYYDWBZATUHC-RKDXNWHRSA-N 0 0 193.246 1.112 10 0 ADAERN CC(C)[NH2+][C@H]1C=C[C@H](C(=O)[O-])C1 86687103 573574658 /nfs/dbraw/zinc/57/46/58/573574658.db2.gz RHJMAUUYWHIKKV-YUMQZZPRSA-N 0 0 169.224 1.014 10 0 ADAERN CC1C[NH+](C2(C(=O)[O-])CCCCC2)C1 86684399 573574668 /nfs/dbraw/zinc/57/46/68/573574668.db2.gz RRQROQROCJUNIW-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CCC1C[NH+]([C@H]2C=C[C@H](C(=O)[O-])C2)C1 86687154 573574819 /nfs/dbraw/zinc/57/48/19/573574819.db2.gz KPMCBXHVOVJYJB-UWVGGRQHSA-N 0 0 195.262 1.358 10 0 ADAERN CC[C@@H](C(=O)[O-])[NH+]1CC(C)(C)C1 86683716 573574680 /nfs/dbraw/zinc/57/46/80/573574680.db2.gz CQJFRIAYAMMGQE-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN COc1ccc(N)cc1N1CC[C@H]1C 86687674 573574694 /nfs/dbraw/zinc/57/46/94/573574694.db2.gz NSZKYMMJFVMKDP-MRVPVSSYSA-N 0 0 192.262 1.876 10 0 ADAERN CO[C@H](CCO)C1CCCCC1 257832941 573576089 /nfs/dbraw/zinc/57/60/89/573576089.db2.gz KEFNRMLGROYILF-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CC1C[NH+]([C@@H]2CCCC[C@H]2C(=O)[O-])C1 86685725 573574841 /nfs/dbraw/zinc/57/48/41/573574841.db2.gz CENOVWCDCOVZMJ-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H](Nc1cccc(CO)c1)[C@@H](C)O 238444512 573576589 /nfs/dbraw/zinc/57/65/89/573576589.db2.gz VXJKFCLUDAIYJU-DTWKUNHWSA-N 0 0 195.262 1.360 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCCC12CCC2 107404658 573575628 /nfs/dbraw/zinc/57/56/28/573575628.db2.gz MFMJJEOCHYDCOV-SECBINFHSA-N 0 0 169.224 1.123 10 0 ADAERN CC[C@@H](CCC1CCOCC1)NN 308401663 573575675 /nfs/dbraw/zinc/57/56/75/573575675.db2.gz IUUSISVUCANJTP-JTQLQIEISA-N 0 0 186.299 1.435 10 0 ADAERN CC1=C[C@H](O)[C@]2(CC1)[C@@H](C)CC[C@@H]2O 238445027 573575705 /nfs/dbraw/zinc/57/57/05/573575705.db2.gz FDSQPHSMEYFOFI-FIQHERPVSA-N 0 0 196.290 1.865 10 0 ADAERN CN1CSc2nc3ccccc3n21 95924375 573575750 /nfs/dbraw/zinc/57/57/50/573575750.db2.gz FJTFQCAHEKZMQE-UHFFFAOYSA-N 0 0 191.259 1.667 10 0 ADAERN CO[C@H](C)CNC(=O)C(F)=C(C)C 308401284 573575753 /nfs/dbraw/zinc/57/57/53/573575753.db2.gz HHAVKCZOASYKJX-SSDOTTSWSA-N 0 0 189.230 1.401 10 0 ADAERN C[C@@H]([NH3+])c1cccc([S-])c1 78677368 573575754 /nfs/dbraw/zinc/57/57/54/573575754.db2.gz LHCKCQAAAZLKOK-ZCFIWIBFSA-N 0 0 153.250 1.995 10 0 ADAERN C[C@H]1[C@@H](CO)CC1(C)C 238444822 573575789 /nfs/dbraw/zinc/57/57/89/573575789.db2.gz KTVIDQXJPJEWKU-NKWVEPMBSA-N 0 0 128.215 1.661 10 0 ADAERN CONC(=O)/C=C\c1ccc(C)s1 214521819 573575796 /nfs/dbraw/zinc/57/57/96/573575796.db2.gz ZMSXQIUZOJHJLW-WAYWQWQTSA-N 0 0 197.259 1.747 10 0 ADAERN CC[C@H](CCC1CCOCC1)NN 308401664 573575850 /nfs/dbraw/zinc/57/58/50/573575850.db2.gz IUUSISVUCANJTP-SNVBAGLBSA-N 0 0 186.299 1.435 10 0 ADAERN Nc1nn(C2CCC2)c2c1COCC2 257833045 573575855 /nfs/dbraw/zinc/57/58/55/573575855.db2.gz JYEAHCIHEPQGNC-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN NC(=O)[C@@H]1CCc2cc(F)ccc2N1 257833034 573575863 /nfs/dbraw/zinc/57/58/63/573575863.db2.gz JXNRFCGWTGCCEN-VIFPVBQESA-N 0 0 194.209 1.038 10 0 ADAERN OCc1cccc2c(CO)cccc12 144377144 573575869 /nfs/dbraw/zinc/57/58/69/573575869.db2.gz XDLQLCQXSUUQBB-UHFFFAOYSA-N 0 0 188.226 1.824 10 0 ADAERN CC1CN(c2ccc(N)cc2F)C1 86688088 573575874 /nfs/dbraw/zinc/57/58/74/573575874.db2.gz RXRSADBDVGHCTB-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN C[C@@H]1C[C@@]1(CO)[C@@H](O)c1ccccc1 238444480 573575878 /nfs/dbraw/zinc/57/58/78/573575878.db2.gz KNGARACOIMREIY-USWWRNFRSA-N 0 0 192.258 1.739 10 0 ADAERN Cc1cnc([C@H]2CCC(=O)C2)o1 145280068 573575890 /nfs/dbraw/zinc/57/58/90/573575890.db2.gz MCWAAIVRGSEOKO-ZETCQYMHSA-N 0 0 165.192 1.820 10 0 ADAERN CCO[C@@H](C)C(=O)O[C@H]1C=CCC1 308401823 573575910 /nfs/dbraw/zinc/57/59/10/573575910.db2.gz HMSAINAODDQVBG-IUCAKERBSA-N 0 0 184.235 1.673 10 0 ADAERN CN(C)C(=O)C1CCC(CCO)CC1 258796293 573575923 /nfs/dbraw/zinc/57/59/23/573575923.db2.gz SCUQGFDNDNPCTO-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN COc1c(C)ccc2c1[C@H]([NH3+])CO2 238445118 573575951 /nfs/dbraw/zinc/57/59/51/573575951.db2.gz AKLAYBXXSKZWMB-SSDOTTSWSA-N 0 0 179.219 1.396 10 0 ADAERN C[C@H](O)Cc1cc(N)c(F)c(F)c1 259517266 573575962 /nfs/dbraw/zinc/57/59/62/573575962.db2.gz SHFOONXOUFFPIF-YFKPBYRVSA-N 0 0 187.189 1.470 10 0 ADAERN Cc1cn(C)c(=O)c2cccc(N)c12 258065479 573575965 /nfs/dbraw/zinc/57/59/65/573575965.db2.gz HLSRRDDKEDLEDO-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN C=C/C=C\COC(=O)CCCCCO 308635805 573575990 /nfs/dbraw/zinc/57/59/90/573575990.db2.gz YOULGMXAWBWSIA-CLTKARDFSA-N 0 0 198.262 1.825 10 0 ADAERN CCc1ncc(N)c(C2CC2)n1 75462094 573575991 /nfs/dbraw/zinc/57/59/91/573575991.db2.gz BHLNCRJPQUZVJC-UHFFFAOYSA-N 0 0 163.224 1.499 10 0 ADAERN Cc1ccc(F)cc1C(=O)CN(C)C 78676897 573575997 /nfs/dbraw/zinc/57/59/97/573575997.db2.gz KGJIHZLTSZIURC-UHFFFAOYSA-N 0 0 195.237 1.878 10 0 ADAERN Cc1cc(CNC(N)=O)sc1C 83633317 573576001 /nfs/dbraw/zinc/57/60/01/573576001.db2.gz DXJIGAICVDFCBI-UHFFFAOYSA-N 0 0 184.264 1.533 10 0 ADAERN COCC(COC)[C@H]1CCC[C@@H]1O 385116937 573576006 /nfs/dbraw/zinc/57/60/06/573576006.db2.gz DZRNPVMURUJLCD-ZJUUUORDSA-N 0 0 188.267 1.056 10 0 ADAERN CC1(C2CCC(=O)CC2)COC1 258792065 573576012 /nfs/dbraw/zinc/57/60/12/573576012.db2.gz VWSNLLMZQNILBY-UHFFFAOYSA-N 0 0 168.236 1.782 10 0 ADAERN CN[C@@H]([C@@H]1CCOC1)C(F)(F)F 78678400 573576013 /nfs/dbraw/zinc/57/60/13/573576013.db2.gz PMFPKIDGVWURGY-RITPCOANSA-N 0 0 183.173 1.173 10 0 ADAERN Cc1cc(CNC#N)sc1C 83633617 573576040 /nfs/dbraw/zinc/57/60/40/573576040.db2.gz VKFNXDVPAMAJSX-UHFFFAOYSA-N 0 0 166.249 1.936 10 0 ADAERN c1cnc2c(c1)ncn2[C@H]1CCOC1 258791206 573576073 /nfs/dbraw/zinc/57/60/73/573576073.db2.gz QMNNLWYMWCNTLA-QMMMGPOBSA-N 0 0 189.218 1.393 10 0 ADAERN Cc1c[nH]nc1Cc1ccc(N)o1 238444903 573576102 /nfs/dbraw/zinc/57/61/02/573576102.db2.gz DSMPADQMUBWJPK-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN C/C=C\COc1cc(OC)nc(N)n1 308401570 573576104 /nfs/dbraw/zinc/57/61/04/573576104.db2.gz RQFUAQMBKGXDDK-ARJAWSKDSA-N 0 0 195.222 1.022 10 0 ADAERN C=CC(=O)NCCCn1cccc1 308401975 573576116 /nfs/dbraw/zinc/57/61/16/573576116.db2.gz IWPQHYGMAYHSIO-UHFFFAOYSA-N 0 0 178.235 1.180 10 0 ADAERN C[C@H]1CC[C@H](O)c2ccc(=O)n(C)c21 238445221 573576132 /nfs/dbraw/zinc/57/61/32/573576132.db2.gz VIBBLQXWUAYPEF-CBAPKCEASA-N 0 0 193.246 1.316 10 0 ADAERN O[C@H](c1ccc(F)cn1)C1CC1 86704841 573576142 /nfs/dbraw/zinc/57/61/42/573576142.db2.gz GLMFZQAGHLUOHD-VIFPVBQESA-N 0 0 167.183 1.664 10 0 ADAERN CN(c1cc[nH]c1)C1CCC(O)CC1 258786535 573576147 /nfs/dbraw/zinc/57/61/47/573576147.db2.gz MENRKQKWJQVEEF-UHFFFAOYSA-N 0 0 194.278 1.754 10 0 ADAERN C[C@H](SC(=O)N(C)C)[C@@H](C)O 238445153 573576157 /nfs/dbraw/zinc/57/61/57/573576157.db2.gz NVBJPPISWFZGDD-RITPCOANSA-N 0 0 177.269 1.171 10 0 ADAERN C1=Nc2c(ccc3nc4cccn4c23)=N1 95922973 573576158 /nfs/dbraw/zinc/57/61/58/573576158.db2.gz RRNAQJPPQIBUNR-UHFFFAOYSA-N 0 0 194.197 1.499 10 0 ADAERN OC/C=C\Cc1ccc2c(c1)OCO2 308635809 573576635 /nfs/dbraw/zinc/57/66/35/573576635.db2.gz YPONQIJXYVBSMR-UPHRSURJSA-N 0 0 192.214 1.506 10 0 ADAERN C[C@@H]1c2ccccc2CCN1N 144387272 573576637 /nfs/dbraw/zinc/57/66/37/573576637.db2.gz ZVWBKDOGIZXCMJ-MRVPVSSYSA-N 0 0 162.236 1.479 10 0 ADAERN Cc1ccc(NC(C)(C)CO)o1 258794577 573576166 /nfs/dbraw/zinc/57/61/66/573576166.db2.gz JOMLUHOTFWJYEZ-UHFFFAOYSA-N 0 0 169.224 1.771 10 0 ADAERN COC[C@H](CO)CC(C)(C)C 258065660 573576167 /nfs/dbraw/zinc/57/61/67/573576167.db2.gz IILKMBTXWLRYAV-QMMMGPOBSA-N 0 0 160.257 1.678 10 0 ADAERN Cc1noc2cc3c(cc12)CC(=O)N3 145285665 573576169 /nfs/dbraw/zinc/57/61/69/573576169.db2.gz YZOYWHBJOJTCQQ-UHFFFAOYSA-N 0 0 188.186 1.631 10 0 ADAERN CO[C@@H](C)CNC(=O)C(F)=C(C)C 308401285 573576179 /nfs/dbraw/zinc/57/61/79/573576179.db2.gz HHAVKCZOASYKJX-ZETCQYMHSA-N 0 0 189.230 1.401 10 0 ADAERN COCCc1nnc2c(C)cccn12 258503129 573576182 /nfs/dbraw/zinc/57/61/82/573576182.db2.gz ZBRRMOJXMXQNOW-UHFFFAOYSA-N 0 0 191.234 1.227 10 0 ADAERN Cc1[nH]c(C=O)nc1-c1ccncc1 258786502 573576208 /nfs/dbraw/zinc/57/62/08/573576208.db2.gz VIRZJLCZXLROPB-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN Cc1cc(F)cc(C(=O)CN(C)C)c1 78676895 573576243 /nfs/dbraw/zinc/57/62/43/573576243.db2.gz BETKQFOBFMUPNX-UHFFFAOYSA-N 0 0 195.237 1.878 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCCC12CCC2 107404654 573576249 /nfs/dbraw/zinc/57/62/49/573576249.db2.gz MFMJJEOCHYDCOV-VIFPVBQESA-N 0 0 169.224 1.123 10 0 ADAERN Nc1cc(C(F)(F)F)sn1 107404196 573576291 /nfs/dbraw/zinc/57/62/91/573576291.db2.gz NNXOIVUREZWDPV-UHFFFAOYSA-N 0 0 168.143 1.744 10 0 ADAERN c1nscc1O[C@@H]1CCOC1 258791949 573576293 /nfs/dbraw/zinc/57/62/93/573576293.db2.gz XRIIFBHQUNKFGA-ZCFIWIBFSA-N 0 0 171.221 1.311 10 0 ADAERN Cc1ccc(F)c(C(=O)CN(C)C)c1 78676893 573576301 /nfs/dbraw/zinc/57/63/01/573576301.db2.gz WBMJAKOUOZEJPA-UHFFFAOYSA-N 0 0 195.237 1.878 10 0 ADAERN Cc1ccc(-c2[nH]nc(N)c2N)cc1 144413713 573576302 /nfs/dbraw/zinc/57/63/02/573576302.db2.gz QTRUTYDAMJXDRU-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN C[C@H](O)c1nc2cnccc2o1 95933613 573576303 /nfs/dbraw/zinc/57/63/03/573576303.db2.gz FYTRRTSHBGCJDV-YFKPBYRVSA-N 0 0 164.164 1.276 10 0 ADAERN C[C@@H]1[C@@H](O)C[C@@H](O)CC1(C)C 238445294 573576319 /nfs/dbraw/zinc/57/63/19/573576319.db2.gz RZMMLVNSHCYHHD-PRJMDXOYSA-N 0 0 158.241 1.164 10 0 ADAERN C[C@@H](C[NH2+]CCC1CCC1)CC(=O)[O-] 258793151 573576339 /nfs/dbraw/zinc/57/63/39/573576339.db2.gz CQYIILFLRJOQMQ-SECBINFHSA-N 0 0 199.294 1.877 10 0 ADAERN COc1cc(=O)cc(C)s1 238444614 573576342 /nfs/dbraw/zinc/57/63/42/573576342.db2.gz GZKKJOQNEZHETL-UHFFFAOYSA-N 0 0 156.206 1.425 10 0 ADAERN C[Si](C)(C)[C@@H](O)C1CC1 238445327 573576349 /nfs/dbraw/zinc/57/63/49/573576349.db2.gz KDKJBOYYEOHUGF-SSDOTTSWSA-N 0 0 144.290 1.635 10 0 ADAERN Cn1nnc(N)c1-c1ccc(F)cc1 257833053 573576355 /nfs/dbraw/zinc/57/63/55/573576355.db2.gz JYHKWRWKIXUGNJ-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cc1ncc2c(N)csc2n1 75465101 573576362 /nfs/dbraw/zinc/57/63/62/573576362.db2.gz XSRRNUGMXTZFJW-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN CCC1(c2ccc(N)cc2)COC1 258792397 573576367 /nfs/dbraw/zinc/57/63/67/573576367.db2.gz MRMUNOPXZRXWHA-UHFFFAOYSA-N 0 0 177.247 1.947 10 0 ADAERN CC(C)(C)[C@@]1(C)OC[C@@H](CCO)O1 258794233 573576380 /nfs/dbraw/zinc/57/63/80/573576380.db2.gz QOPPKRYWOFYNLV-SCZZXKLOSA-N 0 0 188.267 1.547 10 0 ADAERN CC(C)(C[NH2+]CC(=O)[O-])C1CCC1 258791137 573576399 /nfs/dbraw/zinc/57/63/99/573576399.db2.gz CLXGCCVOHONYHA-UHFFFAOYSA-N 0 0 185.267 1.487 10 0 ADAERN C[C@H](C[NH2+]CCC1CCC1)CC(=O)[O-] 258793157 573576444 /nfs/dbraw/zinc/57/64/44/573576444.db2.gz CQYIILFLRJOQMQ-VIFPVBQESA-N 0 0 199.294 1.877 10 0 ADAERN Nc1cc(Cl)cc2c1OCO2 144461112 573576458 /nfs/dbraw/zinc/57/64/58/573576458.db2.gz HVBXNFGJAOLCEL-UHFFFAOYSA-N 0 0 171.583 1.651 10 0 ADAERN CCc1nc(C2CC2)ncc1N 75461614 573576563 /nfs/dbraw/zinc/57/65/63/573576563.db2.gz QWOBRGMWPGMMAF-UHFFFAOYSA-N 0 0 163.224 1.499 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCCCC12CC2 107404643 573576520 /nfs/dbraw/zinc/57/65/20/573576520.db2.gz DHGKFSRJZBLLMT-SECBINFHSA-N 0 0 169.224 1.123 10 0 ADAERN CCc1nc2c(s1)C[C@H](CO)CC2 144411704 573576551 /nfs/dbraw/zinc/57/65/51/573576551.db2.gz GDSLLGUBDBYYID-SSDOTTSWSA-N 0 0 197.303 1.803 10 0 ADAERN C[C@@H]1C[C@@]12CCCC[C@@H]2O 238445055 573576558 /nfs/dbraw/zinc/57/65/58/573576558.db2.gz SOZVAVLGYMPCPX-VGMNWLOBSA-N 0 0 140.226 1.948 10 0 ADAERN CCO[C@H](C)C(=O)O[C@@H]1C=CCC1 308401824 573577789 /nfs/dbraw/zinc/57/77/89/573577789.db2.gz HMSAINAODDQVBG-RKDXNWHRSA-N 0 0 184.235 1.673 10 0 ADAERN COCc1nsc(NC(C)C)n1 83646761 573577854 /nfs/dbraw/zinc/57/78/54/573577854.db2.gz AADOKQNQQSSHGQ-UHFFFAOYSA-N 0 0 187.268 1.505 10 0 ADAERN C[C@]1(C(=O)c2ccccc2)C=N1 238444894 573577812 /nfs/dbraw/zinc/57/78/12/573577812.db2.gz PGCOSHDVDSBOGE-SNVBAGLBSA-N 0 0 159.188 1.712 10 0 ADAERN CCO[C@H](C)C(=O)O[C@H]1C=CCC1 308401821 573577814 /nfs/dbraw/zinc/57/78/14/573577814.db2.gz HMSAINAODDQVBG-BDAKNGLRSA-N 0 0 184.235 1.673 10 0 ADAERN CC(C)Cc1cc(Cl)c(N)nn1 259517245 573577815 /nfs/dbraw/zinc/57/78/15/573577815.db2.gz SGGLDIKUHWQVEQ-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN Nc1ccn2c(n1)nc1ccccc12 95923158 573577829 /nfs/dbraw/zinc/57/78/29/573577829.db2.gz IWRSVGXUWRVXRW-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN C[N@@H+]1CCc2scc(C(=O)[O-])c2C1 75464393 573577835 /nfs/dbraw/zinc/57/78/35/573577835.db2.gz LPHZWYCPWBRVMB-UHFFFAOYSA-N 0 0 197.259 1.434 10 0 ADAERN Cc1cc(F)cc([C@]2(O)CCOC2)c1 86692697 573577630 /nfs/dbraw/zinc/57/76/30/573577630.db2.gz AXBTZQQNHBHHDV-NSHDSACASA-N 0 0 196.221 1.742 10 0 ADAERN COc1c(C)ccc2c1[C@@H]([NH3+])CCO2 238445094 573577676 /nfs/dbraw/zinc/57/76/76/573577676.db2.gz WHCXWPYJGNMGBU-QMMMGPOBSA-N 0 0 193.246 1.786 10 0 ADAERN COc1c(C)ccc2c1[C@@H]([NH3+])CO2 238445134 573577686 /nfs/dbraw/zinc/57/76/86/573577686.db2.gz AKLAYBXXSKZWMB-ZETCQYMHSA-N 0 0 179.219 1.396 10 0 ADAERN COC(=O)[C@H](O)c1cc(C)cc(F)c1 86692840 573577692 /nfs/dbraw/zinc/57/76/92/573577692.db2.gz ROAYFYVQBLPSPC-SECBINFHSA-N 0 0 198.193 1.341 10 0 ADAERN CC(=O)S[C@H](C)[C@@H](C)[C@@H](C)O 238445305 573577750 /nfs/dbraw/zinc/57/77/50/573577750.db2.gz NLYRBOXJSXSBJX-RRKCRQDMSA-N 0 0 176.281 1.672 10 0 ADAERN COC(=O)/C=C/C=C\[C@H](O)CC(C)C 308636704 573577720 /nfs/dbraw/zinc/57/77/20/573577720.db2.gz ZHQBSMUDGBLZMF-LSJSYMQGSA-N 0 0 198.262 1.679 10 0 ADAERN CN[C@@H](c1cccnc1)C(F)(F)F 78677150 573577735 /nfs/dbraw/zinc/57/77/35/573577735.db2.gz QLPVLKMTKWNFHV-ZETCQYMHSA-N 0 0 190.168 1.904 10 0 ADAERN CC(C)(ON)c1cccnc1 259517534 573577739 /nfs/dbraw/zinc/57/77/39/573577739.db2.gz SIOSVAVCOZHXLD-UHFFFAOYSA-N 0 0 152.197 1.207 10 0 ADAERN CN(c1cccnc1)C(C)(C)CO 258791878 573577758 /nfs/dbraw/zinc/57/77/58/573577758.db2.gz JHIJXBRPBPPGNZ-UHFFFAOYSA-N 0 0 180.251 1.289 10 0 ADAERN CNC(=O)N[C@H](C)Cc1ccccc1 144373684 573577769 /nfs/dbraw/zinc/57/77/69/573577769.db2.gz FJMUAZMNRSEODO-SECBINFHSA-N 0 0 192.262 1.547 10 0 ADAERN C[C@@H]1c2ccccc2N[C@@H]1CO 238445003 573577779 /nfs/dbraw/zinc/57/77/79/573577779.db2.gz TZUFXJRAEGCQMZ-GMSGAONNSA-N 0 0 163.220 1.577 10 0 ADAERN Nc1nc(NC2CCC2)c(F)cc1F 236376168 573579382 /nfs/dbraw/zinc/57/93/82/573579382.db2.gz XLIBKHCNXYKWDG-UHFFFAOYSA-N 0 0 199.204 1.906 10 0 ADAERN CCNc1nc(N(C)C)ns1 83646307 573582600 /nfs/dbraw/zinc/58/26/00/573582600.db2.gz KKFKNAXIBWOSHQ-UHFFFAOYSA-N 0 0 172.257 1.036 10 0 ADAERN CC1(C)CCC=C[C@H]1CO 145291131 573577864 /nfs/dbraw/zinc/57/78/64/573577864.db2.gz MOUGSNQNRZWRJP-QMMMGPOBSA-N 0 0 140.226 1.971 10 0 ADAERN COCc1nc2cscc2[nH]1 144392189 573579661 /nfs/dbraw/zinc/57/96/61/573579661.db2.gz SFAANQMRASILRF-UHFFFAOYSA-N 0 0 168.221 1.771 10 0 ADAERN Nc1nnc(NC2CCCCCC2)o1 236376938 573577915 /nfs/dbraw/zinc/57/79/15/573577915.db2.gz CKFCHNNJKIVTON-UHFFFAOYSA-N 0 0 196.254 1.787 10 0 ADAERN O=C(CO)C1(C(=O)C2CCC2)CCC1 238683492 573577943 /nfs/dbraw/zinc/57/79/43/573577943.db2.gz CRHCPZDPJKPKMA-UHFFFAOYSA-N 0 0 196.246 1.087 10 0 ADAERN C[C@@H](Nc1ncns1)[C@H]1CCCO1 83653087 573577950 /nfs/dbraw/zinc/57/79/50/573577950.db2.gz HXRFLRGDWIAKJU-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN Cn1cc(Nc2ncns2)cn1 83653195 573577966 /nfs/dbraw/zinc/57/79/66/573577966.db2.gz KSWLHLFHLIMJNH-UHFFFAOYSA-N 0 0 181.224 1.015 10 0 ADAERN C[C@H]([NH3+])c1cccc([S-])c1 78677364 573577982 /nfs/dbraw/zinc/57/79/82/573577982.db2.gz LHCKCQAAAZLKOK-LURJTMIESA-N 0 0 153.250 1.995 10 0 ADAERN CCC1=C(C)C(=O)N[C@@]1(C)OC 144379723 573578001 /nfs/dbraw/zinc/57/80/01/573578001.db2.gz UMLSPORZGSDLPN-VIFPVBQESA-N 0 0 169.224 1.205 10 0 ADAERN C[C@@H](O)[C@@](C)(O)C1=CCCC1 238440683 573579668 /nfs/dbraw/zinc/57/96/68/573579668.db2.gz XIQYUIRIXSCEJS-VXNVDRBHSA-N 0 0 156.225 1.229 10 0 ADAERN CC(C)Nc1ncns1 83646746 573579671 /nfs/dbraw/zinc/57/96/71/573579671.db2.gz IKIIQNUAQPNPEN-UHFFFAOYSA-N 0 0 143.215 1.358 10 0 ADAERN CSC[C@H](CO)C(C)C 258065506 573578037 /nfs/dbraw/zinc/57/80/37/573578037.db2.gz IGPQKCQVSLXNEH-ZETCQYMHSA-N 0 0 148.271 1.614 10 0 ADAERN Nc1c[nH]c(C(=O)c2ccco2)c1 75460685 573578046 /nfs/dbraw/zinc/57/80/46/573578046.db2.gz XAOOENYISLAQCA-UHFFFAOYSA-N 0 0 176.175 1.421 10 0 ADAERN N[C@@H](c1cnccn1)C(F)(F)F 78677406 573578050 /nfs/dbraw/zinc/57/80/50/573578050.db2.gz MNZVSCKKSJEFKM-YFKPBYRVSA-N 0 0 177.129 1.039 10 0 ADAERN Cn1cc2c(c1Cl)CCC2=O 107405373 573578058 /nfs/dbraw/zinc/57/80/58/573578058.db2.gz BSCHXOWKTUWTPL-UHFFFAOYSA-N 0 0 169.611 1.807 10 0 ADAERN C[C@@H]1C(=O)CO[C@H]1c1ccccc1 238441275 573579678 /nfs/dbraw/zinc/57/96/78/573579678.db2.gz JBUYPOJYMVZTPB-LDYMZIIASA-N 0 0 176.215 1.963 10 0 ADAERN CCO[C@@H](C)C(=O)O[C@@H]1C=CCC1 308401822 573578090 /nfs/dbraw/zinc/57/80/90/573578090.db2.gz HMSAINAODDQVBG-DTWKUNHWSA-N 0 0 184.235 1.673 10 0 ADAERN COc1cccc(C[C@@H](CO)OC)c1 257833041 573578095 /nfs/dbraw/zinc/57/80/95/573578095.db2.gz JXVRJOCOVVVCHT-NSHDSACASA-N 0 0 196.246 1.245 10 0 ADAERN CC(C)(C)[C@]1(C)OC[C@H](CCO)O1 258794235 573578096 /nfs/dbraw/zinc/57/80/96/573578096.db2.gz QOPPKRYWOFYNLV-WCBMZHEXSA-N 0 0 188.267 1.547 10 0 ADAERN CC(=O)CC1(c2cccnc2)COC1 258792305 573578106 /nfs/dbraw/zinc/57/81/06/573578106.db2.gz WAJTXEBVFBMSLK-UHFFFAOYSA-N 0 0 191.230 1.329 10 0 ADAERN CO[C@@](C)(CO)Cc1cccc(O)c1 257833069 573578110 /nfs/dbraw/zinc/57/81/10/573578110.db2.gz JZUKPVNNBMOUJY-LLVKDONJSA-N 0 0 196.246 1.332 10 0 ADAERN Nc1cncnc1-c1ccncc1 75463482 573578114 /nfs/dbraw/zinc/57/81/14/573578114.db2.gz QQGFFSCRZFWMSN-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Cc1cc(F)cc([C@@]2(O)CCOC2)c1 86692698 573578122 /nfs/dbraw/zinc/57/81/22/573578122.db2.gz AXBTZQQNHBHHDV-LLVKDONJSA-N 0 0 196.221 1.742 10 0 ADAERN NC(=O)[C@H]1CCc2cc(F)ccc2N1 257833033 573578125 /nfs/dbraw/zinc/57/81/25/573578125.db2.gz JXNRFCGWTGCCEN-SECBINFHSA-N 0 0 194.209 1.038 10 0 ADAERN O=C([O-])[C@H](C[NH2+]C1CC1)C1CCC1 258503332 573578128 /nfs/dbraw/zinc/57/81/28/573578128.db2.gz ZUSHODNUNCAFQF-SECBINFHSA-N 0 0 183.251 1.239 10 0 ADAERN COc1sc(C)cc1C=O 238441499 573578134 /nfs/dbraw/zinc/57/81/34/573578134.db2.gz PVUZEPBUPYSAJK-UHFFFAOYSA-N 0 0 156.206 1.878 10 0 ADAERN CCc1nc(OC)cs1 144364278 573578149 /nfs/dbraw/zinc/57/81/49/573578149.db2.gz WYEIWOHIIVQKHG-UHFFFAOYSA-N 0 0 143.211 1.714 10 0 ADAERN CCCOC[C@@]1(O)CCS[C@H]1C 233230956 573578155 /nfs/dbraw/zinc/57/81/55/573578155.db2.gz UAXROHFODHRSTA-IUCAKERBSA-N 0 0 190.308 1.670 10 0 ADAERN COc1cnccc1C1([NH3+])CCC1 259516115 573578157 /nfs/dbraw/zinc/57/81/57/573578157.db2.gz ZUHPEAOILHFBAJ-UHFFFAOYSA-N 0 0 178.235 1.428 10 0 ADAERN CN(C)CC(=O)c1cccc(F)c1F 78676968 573578183 /nfs/dbraw/zinc/57/81/83/573578183.db2.gz WAZAQMRPMAWAGK-UHFFFAOYSA-N 0 0 199.200 1.709 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]2COC[C@H]12 238443570 573589631 /nfs/dbraw/zinc/58/96/31/573589631.db2.gz QOSCFWVHGOSMGJ-BIIVOSGPSA-N 0 0 154.209 1.248 10 0 ADAERN C[C@@H](O)Cc1cc(N)c(F)c(F)c1 259517265 573578199 /nfs/dbraw/zinc/57/81/99/573578199.db2.gz SHFOONXOUFFPIF-RXMQYKEDSA-N 0 0 187.189 1.470 10 0 ADAERN Nc1cccc(O)c1C1CCOCC1 259517552 573578247 /nfs/dbraw/zinc/57/82/47/573578247.db2.gz SJORKKNUDKUTJH-UHFFFAOYSA-N 0 0 193.246 1.868 10 0 ADAERN CCCCCC(=O)NOCCCF 308401769 573578275 /nfs/dbraw/zinc/57/82/75/573578275.db2.gz HKPIOEIIJOAPCI-UHFFFAOYSA-N 0 0 191.246 1.974 10 0 ADAERN Nc1nnc(NCCC2CCC2)o1 236377224 573578298 /nfs/dbraw/zinc/57/82/98/573578298.db2.gz QTRLIOWRKWJMCU-UHFFFAOYSA-N 0 0 182.227 1.254 10 0 ADAERN CCNc1nc(CSC)ns1 83646355 573579693 /nfs/dbraw/zinc/57/96/93/573579693.db2.gz NVFSTPXQWCGXID-UHFFFAOYSA-N 0 0 189.309 1.833 10 0 ADAERN CC[C@@H]1CC(=O)N(C2CCCC2)N1 257832960 573578325 /nfs/dbraw/zinc/57/83/25/573578325.db2.gz KFSQARIOROBIFO-MRVPVSSYSA-N 0 0 182.267 1.445 10 0 ADAERN CC(=O)N(C)c1cccc([C@H](C)O)c1 238441253 573578330 /nfs/dbraw/zinc/57/83/30/573578330.db2.gz BBNWMHSCRSVEQF-QMMMGPOBSA-N 0 0 193.246 1.723 10 0 ADAERN CCc1nc(-c2ccco2)ncc1N 75461727 573578392 /nfs/dbraw/zinc/57/83/92/573578392.db2.gz RTILLSUOWAEBHO-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN C[C@H]1C(=O)[C@@H]2CCC(=O)[C@H]1C2 238441342 573579862 /nfs/dbraw/zinc/57/98/62/573579862.db2.gz IQXPFMILWVCSMI-QYNIQEEDSA-N 0 0 152.193 1.191 10 0 ADAERN CN[C@H](c1cccnc1)C(F)(F)F 78677152 573578464 /nfs/dbraw/zinc/57/84/64/573578464.db2.gz QLPVLKMTKWNFHV-SSDOTTSWSA-N 0 0 190.168 1.904 10 0 ADAERN Cc1c(CC(C)C)c1=O 258792214 573578489 /nfs/dbraw/zinc/57/84/89/573578489.db2.gz MPODUIXFVOSYPO-UHFFFAOYSA-N 0 0 124.183 1.429 10 0 ADAERN C[C@@H](Nc1ncns1)[C@@H]1CCCO1 83653082 573578490 /nfs/dbraw/zinc/57/84/90/573578490.db2.gz HXRFLRGDWIAKJU-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN c1cc(CNc2ncns2)ccn1 83652606 573578493 /nfs/dbraw/zinc/57/84/93/573578493.db2.gz ONTGSUUEESCZQJ-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CN[C@H]([C@H]1CCOC1)C(F)(F)F 78678414 573578494 /nfs/dbraw/zinc/57/84/94/573578494.db2.gz PMFPKIDGVWURGY-NTSWFWBYSA-N 0 0 183.173 1.173 10 0 ADAERN CC1=C[C@H](C)[C@@H](C(N)=O)CC1 238441489 573578497 /nfs/dbraw/zinc/57/84/97/573578497.db2.gz CKVQQGQXIVUXFM-YUMQZZPRSA-N 0 0 153.225 1.464 10 0 ADAERN COc1c(C(F)F)c(N)c[nH]c1=O 238440655 573578505 /nfs/dbraw/zinc/57/85/05/573578505.db2.gz RXBYYYWPIJDESU-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COC(=O)C1=CCCCCCC[C@@H]1O 308636763 573578506 /nfs/dbraw/zinc/57/85/06/573578506.db2.gz ZJUAYUQYOXUROY-JTQLQIEISA-N 0 0 198.262 1.801 10 0 ADAERN CN(C)c1cc(N)c(F)cc1F 86688356 573578527 /nfs/dbraw/zinc/57/85/27/573578527.db2.gz GUPBXXPSMSUUCD-UHFFFAOYSA-N 0 0 172.178 1.613 10 0 ADAERN C[C@@H]1[C@@H]2C[C@@H](CNC2=O)C1(C)C 238441372 573578531 /nfs/dbraw/zinc/57/85/31/573578531.db2.gz ZIKWHTPFLVCVDV-CSMHCCOUSA-N 0 0 167.252 1.415 10 0 ADAERN CNc1nc(C2CCC2)ns1 83646088 573578535 /nfs/dbraw/zinc/57/85/35/573578535.db2.gz ILXWDCXTBKNHFR-UHFFFAOYSA-N 0 0 169.253 1.847 10 0 ADAERN OCCOC=C(Cl)Cl 144384751 573578536 /nfs/dbraw/zinc/57/85/36/573578536.db2.gz ZDSGOFHPVDBUAD-UHFFFAOYSA-N 0 0 156.996 1.272 10 0 ADAERN Nc1nnc(NCCC2CCCC2)o1 236377236 573578547 /nfs/dbraw/zinc/57/85/47/573578547.db2.gz XAHWBMXBLSMHER-UHFFFAOYSA-N 0 0 196.254 1.644 10 0 ADAERN c1cnc2c(c1)ncn2[C@@H]1CCOC1 258791199 573578576 /nfs/dbraw/zinc/57/85/76/573578576.db2.gz QMNNLWYMWCNTLA-MRVPVSSYSA-N 0 0 189.218 1.393 10 0 ADAERN CNC(=O)N[C@@H](C)Cc1ccccc1 144373489 573578613 /nfs/dbraw/zinc/57/86/13/573578613.db2.gz FJMUAZMNRSEODO-VIFPVBQESA-N 0 0 192.262 1.547 10 0 ADAERN COC(=O)C1=CCCCCCC[C@H]1O 308636764 573578618 /nfs/dbraw/zinc/57/86/18/573578618.db2.gz ZJUAYUQYOXUROY-SNVBAGLBSA-N 0 0 198.262 1.801 10 0 ADAERN Cc1c(C(F)F)cc(=O)[nH]c1C=O 238440511 573578619 /nfs/dbraw/zinc/57/86/19/573578619.db2.gz OAZXRAIJCYGJQW-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CCOC(=O)c1ccnc2c1CCN2 259517123 573578638 /nfs/dbraw/zinc/57/86/38/573578638.db2.gz CRPIWAOFPVOLQE-UHFFFAOYSA-N 0 0 192.218 1.226 10 0 ADAERN CCO/C=C(\C)[C@@H](O)CC1=NCCO1 308636781 573578656 /nfs/dbraw/zinc/57/86/56/573578656.db2.gz ZOJSPDURYLVCEE-FLOXNTQESA-N 0 0 199.250 1.106 10 0 ADAERN O[C@@H](c1ccoc1)c1ccc(F)cn1 86705015 573578667 /nfs/dbraw/zinc/57/86/67/573578667.db2.gz GQTFODHBUAMHJT-JTQLQIEISA-N 0 0 193.177 1.895 10 0 ADAERN C[C@H]1CN(N)c2ccccc21 224945022 573578718 /nfs/dbraw/zinc/57/87/18/573578718.db2.gz NLBJJMYYAKFQJA-ZETCQYMHSA-N 0 0 148.209 1.484 10 0 ADAERN CCCOCC(=O)OC1CC(C)C1 308401273 573578735 /nfs/dbraw/zinc/57/87/35/573578735.db2.gz HGDRYDWACQOPNG-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN Cc1ccc([C@](C)(O)[C@@H](C)O)cc1 238440943 573578768 /nfs/dbraw/zinc/57/87/68/573578768.db2.gz VMLNUAKEYBHLNQ-MWLCHTKSSA-N 0 0 180.247 1.583 10 0 ADAERN C[C@H](O)c1ccc([S@](C)=O)cc1 238440859 573579875 /nfs/dbraw/zinc/57/98/75/573579875.db2.gz NUOHQKHMEMPALT-MADCSZMMSA-N 0 0 184.260 1.477 10 0 ADAERN COCc1cc2c(C=O)cccn2n1 82390576 573578783 /nfs/dbraw/zinc/57/87/83/573578783.db2.gz KCYSPDMGGFNPEX-UHFFFAOYSA-N 0 0 190.202 1.293 10 0 ADAERN C[C@H](O)c1ccc([Si](C)(C)C)o1 238440899 573578806 /nfs/dbraw/zinc/57/88/06/573578806.db2.gz FTNCVTVXINNGPE-ZETCQYMHSA-N 0 0 184.311 1.878 10 0 ADAERN CC(C)(C)[C@]1(C)OC[C@@H](CCO)O1 258794231 573578816 /nfs/dbraw/zinc/57/88/16/573578816.db2.gz QOPPKRYWOFYNLV-PSASIEDQSA-N 0 0 188.267 1.547 10 0 ADAERN COC1CC(N(C)CC(F)(F)F)C1 308405746 573578829 /nfs/dbraw/zinc/57/88/29/573578829.db2.gz JMJIFNMRENDNJR-UHFFFAOYSA-N 0 0 197.200 1.658 10 0 ADAERN Cc1cc(C)n(-c2nc(C)ns2)n1 83650237 573578883 /nfs/dbraw/zinc/57/88/83/573578883.db2.gz VUEVWDRVXBSHHL-UHFFFAOYSA-N 0 0 194.263 1.649 10 0 ADAERN CC[C@@H](C)Nc1ncns1 83651966 573578909 /nfs/dbraw/zinc/57/89/09/573578909.db2.gz DZFAFBMOTQELPP-RXMQYKEDSA-N 0 0 157.242 1.749 10 0 ADAERN CO[C@@H](CCO)C1CCCCC1 257832939 573578949 /nfs/dbraw/zinc/57/89/49/573578949.db2.gz KEFNRMLGROYILF-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN C[Si](C)(C)[C@@H]1CC(CCO)=NO1 238445575 573578954 /nfs/dbraw/zinc/57/89/54/573578954.db2.gz NXNOGZYGQKTJFL-MRVPVSSYSA-N 0 0 187.315 1.391 10 0 ADAERN CC(C)=C/C=C/[C@](C)(O)[C@@H](C)O 238440898 573578970 /nfs/dbraw/zinc/57/89/70/573578970.db2.gz RWNLQIBPTCEJDS-NVETZNIKSA-N 0 0 170.252 1.641 10 0 ADAERN Cc1c(C=O)nc2n1CCCC2 238440533 573579004 /nfs/dbraw/zinc/57/90/04/573579004.db2.gz YSQXLYHGBJUKDE-UHFFFAOYSA-N 0 0 164.208 1.340 10 0 ADAERN CNc1nc(-c2ccoc2)ns1 83646191 573579021 /nfs/dbraw/zinc/57/90/21/573579021.db2.gz UXXIMHVBLLEOHB-UHFFFAOYSA-N 0 0 181.220 1.840 10 0 ADAERN C[C@H]1c2ccccc2CCN1N 144387493 573579024 /nfs/dbraw/zinc/57/90/24/573579024.db2.gz ZVWBKDOGIZXCMJ-QMMMGPOBSA-N 0 0 162.236 1.479 10 0 ADAERN CCO/C=C(\C)[C@H](O)CC1=NCCO1 308636780 573579038 /nfs/dbraw/zinc/57/90/38/573579038.db2.gz ZOJSPDURYLVCEE-FCZSHJHJSA-N 0 0 199.250 1.106 10 0 ADAERN O=Cc1n[nH]c2c1C(F)(F)CCC2 257832937 573579044 /nfs/dbraw/zinc/57/90/44/573579044.db2.gz KECMOJDPHUKTEZ-UHFFFAOYSA-N 0 0 186.161 1.650 10 0 ADAERN C[C@H]1CCCC[C@]2(C1)NC(=O)NC2=O 238440723 573579053 /nfs/dbraw/zinc/57/90/53/573579053.db2.gz RQIVQDBNVIIJIL-OIBJUYFYSA-N 0 0 196.250 1.165 10 0 ADAERN O[C@@H](c1ccc(F)cn1)c1ccco1 86705096 573579054 /nfs/dbraw/zinc/57/90/54/573579054.db2.gz PRAFISOBWIXIBM-JTQLQIEISA-N 0 0 193.177 1.895 10 0 ADAERN Nc1cnc(-c2ccc(F)cn2)nc1 86704209 573579073 /nfs/dbraw/zinc/57/90/73/573579073.db2.gz UWIKFTNZOWMAAU-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Cc1nsc(NCc2ncc[nH]2)n1 83648794 573579075 /nfs/dbraw/zinc/57/90/75/573579075.db2.gz PQNIRZMKFWPVIP-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN Nc1cnc2c(c1)NCCC2 224944215 573580682 /nfs/dbraw/zinc/58/06/82/573580682.db2.gz CJZWZVSOJDWKLF-UHFFFAOYSA-N 0 0 149.197 1.022 10 0 ADAERN Cc1cccc2c1[C@@H](O)[C@H](C)C2=O 238440520 573579094 /nfs/dbraw/zinc/57/90/94/573579094.db2.gz YRGRLHROYLJBGG-HQJQHLMTSA-N 0 0 176.215 1.861 10 0 ADAERN CCOC(=O)Cc1cc(C)ns1 259516189 573579102 /nfs/dbraw/zinc/57/91/02/573579102.db2.gz WSPUPNNLTBDRLY-UHFFFAOYSA-N 0 0 185.248 1.557 10 0 ADAERN CC(C)(CO)COCc1ccoc1 130512417 573579139 /nfs/dbraw/zinc/57/91/39/573579139.db2.gz OEZUTWHHVKBWSD-UHFFFAOYSA-N 0 0 184.235 1.815 10 0 ADAERN CC(C)(C)[C@@]1(C)OC[C@H](CCO)O1 258794236 573579144 /nfs/dbraw/zinc/57/91/44/573579144.db2.gz QOPPKRYWOFYNLV-WPRPVWTQSA-N 0 0 188.267 1.547 10 0 ADAERN CNc1nc(-c2cnccn2)ns1 83646070 573579168 /nfs/dbraw/zinc/57/91/68/573579168.db2.gz OBZAYRYSGPVMJL-UHFFFAOYSA-N 0 0 193.235 1.037 10 0 ADAERN ONCc1cc2ncc(Cl)cc2[nH]1 214915135 573579183 /nfs/dbraw/zinc/57/91/83/573579183.db2.gz SCTSYIFURRJEMA-UHFFFAOYSA-N 0 0 197.625 1.695 10 0 ADAERN Cc1c(C=O)sc(=S)n1C 238441207 573579187 /nfs/dbraw/zinc/57/91/87/573579187.db2.gz GLKFHYMRXKDRPR-UHFFFAOYSA-N 0 0 173.262 1.937 10 0 ADAERN c1nsc(NC[C@H]2CCCO2)n1 83652524 573579191 /nfs/dbraw/zinc/57/91/91/573579191.db2.gz MBFIXKZKJSPYFJ-ZCFIWIBFSA-N 0 0 185.252 1.129 10 0 ADAERN CCOC(=O)[C@@H]1[C@@H](OC)C12CCC2 259615832 573579214 /nfs/dbraw/zinc/57/92/14/573579214.db2.gz NDWCTPSVYBYSGB-JGVFFNPUSA-N 0 0 184.235 1.365 10 0 ADAERN CN(C(N)=O)c1ccc2c(c1)CCO2 258789270 573579238 /nfs/dbraw/zinc/57/92/38/573579238.db2.gz ZNHKKWILKCGKCJ-UHFFFAOYSA-N 0 0 192.218 1.136 10 0 ADAERN O[C@H](c1ccc(F)cn1)[C@H]1CCOC1 86704868 573579263 /nfs/dbraw/zinc/57/92/63/573579263.db2.gz DDNGFPCWDLPVDJ-XVKPBYJWSA-N 0 0 197.209 1.291 10 0 ADAERN CCC[C@@H]1C[C@@]1(N)C(=O)OCC 238275055 573579273 /nfs/dbraw/zinc/57/92/73/573579273.db2.gz RPWAUZZCSAJEGH-APPZFPTMSA-N 0 0 171.240 1.067 10 0 ADAERN O=C(c1ccc(F)cn1)[C@H]1CCOC1 86704340 573579279 /nfs/dbraw/zinc/57/92/79/573579279.db2.gz XNLGXIHFHOELKR-ZETCQYMHSA-N 0 0 195.193 1.440 10 0 ADAERN CN(C)CC(=O)c1ccoc1 78677319 573579289 /nfs/dbraw/zinc/57/92/89/573579289.db2.gz QRWYDEIZEVWQBH-UHFFFAOYSA-N 0 0 153.181 1.024 10 0 ADAERN Cc1nsc(NCc2cn[nH]c2)n1 83648121 573579291 /nfs/dbraw/zinc/57/92/91/573579291.db2.gz DMOQNHVSSNZVHU-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN CCOn1cc(C)[nH]c1=S 144414916 573579299 /nfs/dbraw/zinc/57/92/99/573579299.db2.gz WMTQBNRLTACMJG-UHFFFAOYSA-N 0 0 158.226 1.303 10 0 ADAERN C[C@@H]1C(N)=NO[C@H]1c1ccc(O)cc1 238441019 573579321 /nfs/dbraw/zinc/57/93/21/573579321.db2.gz XNBBCGFJFNREAT-IMTBSYHQSA-N 0 0 192.218 1.372 10 0 ADAERN CCc1ncc(N)c(C(F)(F)F)n1 75461521 573579330 /nfs/dbraw/zinc/57/93/30/573579330.db2.gz GEGWFEOSLNCUHZ-UHFFFAOYSA-N 0 0 191.156 1.640 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)[C@H]2C)cc1 238440915 573579344 /nfs/dbraw/zinc/57/93/44/573579344.db2.gz BUVDLPUGXZQWTF-GXSJLCMTSA-N 0 0 189.258 1.845 10 0 ADAERN O=C1CCCCC12CCOCC2 107404324 573579371 /nfs/dbraw/zinc/57/93/71/573579371.db2.gz ZSACKQJKNDFANK-UHFFFAOYSA-N 0 0 168.236 1.926 10 0 ADAERN CC[C@@H](O)/C=C\c1cccc(CO)c1 308637155 573579372 /nfs/dbraw/zinc/57/93/72/573579372.db2.gz ZWWSNLSTLILANS-ZHRWSRJISA-N 0 0 192.258 1.963 10 0 ADAERN O=C1c2ccc(O)cc2[C@H]2CO[C@@H]1O2 144332428 573581219 /nfs/dbraw/zinc/58/12/19/573581219.db2.gz UBHUWPMVOZRCHN-PSASIEDQSA-N 0 0 192.170 1.003 10 0 ADAERN Cc1ccn(-c2nc(C)ns2)n1 83650250 573581220 /nfs/dbraw/zinc/58/12/20/573581220.db2.gz WDOPXIRHNQRKSE-UHFFFAOYSA-N 0 0 180.236 1.341 10 0 ADAERN CCC1=C(CC)[C@](C)(OC)NC1=O 144380303 573579387 /nfs/dbraw/zinc/57/93/87/573579387.db2.gz IFHHFZIUQKHLJW-JTQLQIEISA-N 0 0 183.251 1.595 10 0 ADAERN CC[C@@](C)(F)c1nc[nH]c(=O)c1C 144409561 573579404 /nfs/dbraw/zinc/57/94/04/573579404.db2.gz XAZCQJKTCNEVBB-SECBINFHSA-N 0 0 184.214 1.673 10 0 ADAERN C[C@@H](O)[C@@](C)(O)Cc1ccccc1 238440781 573579412 /nfs/dbraw/zinc/57/94/12/573579412.db2.gz KJWPGGKSBQXCHO-KOLCDFICSA-N 0 0 180.247 1.361 10 0 ADAERN Cc1cc2c(-n3cccn3)nccn2n1 130442981 573579515 /nfs/dbraw/zinc/57/95/15/573579515.db2.gz MLBWPFYSBICBMG-UHFFFAOYSA-N 0 0 199.217 1.223 10 0 ADAERN Cc1nc2cc(O)cnc2s1 95931453 573579536 /nfs/dbraw/zinc/57/95/36/573579536.db2.gz IRHCLNCLWHDIQQ-UHFFFAOYSA-N 0 0 166.205 1.705 10 0 ADAERN CCc1nccn1CC(=O)C(F)F 308401235 573579555 /nfs/dbraw/zinc/57/95/55/573579555.db2.gz HCXQQAOHZGNZCY-UHFFFAOYSA-N 0 0 188.177 1.280 10 0 ADAERN O[C@@H](c1ccc(F)cn1)C1CC1 86704839 573579570 /nfs/dbraw/zinc/57/95/70/573579570.db2.gz GLMFZQAGHLUOHD-SECBINFHSA-N 0 0 167.183 1.664 10 0 ADAERN CCn1cc(Nc2ncns2)cn1 83653180 573579596 /nfs/dbraw/zinc/57/95/96/573579596.db2.gz QLEQGSYVGRZICD-UHFFFAOYSA-N 0 0 195.251 1.498 10 0 ADAERN O=C([O-])[C@@H](C[NH2+]C1CC1)C1CCC1 258503335 573579605 /nfs/dbraw/zinc/57/96/05/573579605.db2.gz ZUSHODNUNCAFQF-VIFPVBQESA-N 0 0 183.251 1.239 10 0 ADAERN c1nsc(NC2CCCC2)n1 83651996 573579611 /nfs/dbraw/zinc/57/96/11/573579611.db2.gz BJZCVYOWYDAWDX-UHFFFAOYSA-N 0 0 169.253 1.893 10 0 ADAERN CC(C)[C@@H](C)Nc1ncns1 83652643 573579619 /nfs/dbraw/zinc/57/96/19/573579619.db2.gz TZRHPELLZMDVKT-ZCFIWIBFSA-N 0 0 171.269 1.995 10 0 ADAERN C[C@@H]1CCC2=C(C1)O[C@@H](O)[C@@]2(C)O 238440529 573579641 /nfs/dbraw/zinc/57/96/41/573579641.db2.gz DWVQXDATVLCPAE-DRTBCBBWSA-N 0 0 184.235 1.160 10 0 ADAERN COC[C@H](O)c1cc(C)cc(F)c1 86693099 573579645 /nfs/dbraw/zinc/57/96/45/573579645.db2.gz JTYAEIWJLFEJSE-JTQLQIEISA-N 0 0 184.210 1.814 10 0 ADAERN CN[C@H]([C@@H]1CCOC1)C(F)(F)F 78678405 573579711 /nfs/dbraw/zinc/57/97/11/573579711.db2.gz PMFPKIDGVWURGY-PHDIDXHHSA-N 0 0 183.173 1.173 10 0 ADAERN COc1c(C(F)F)cc[nH]c1=O 238440737 573579749 /nfs/dbraw/zinc/57/97/49/573579749.db2.gz WBOCJPXBXJFOFN-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN Cc1cc([S@@](C)=O)ccc1O 144346946 573579750 /nfs/dbraw/zinc/57/97/50/573579750.db2.gz TYCDPSPDTPBLRQ-NSHDSACASA-N 0 0 170.233 1.438 10 0 ADAERN CC[C@H](C)Nc1ncns1 83651967 573579780 /nfs/dbraw/zinc/57/97/80/573579780.db2.gz DZFAFBMOTQELPP-YFKPBYRVSA-N 0 0 157.242 1.749 10 0 ADAERN COC(=O)[C@@H](O)c1cc(C)cc(F)c1 86692839 573579788 /nfs/dbraw/zinc/57/97/88/573579788.db2.gz ROAYFYVQBLPSPC-VIFPVBQESA-N 0 0 198.193 1.341 10 0 ADAERN CCCNc1nc(N(C)C)ns1 83646509 573579813 /nfs/dbraw/zinc/57/98/13/573579813.db2.gz PWTADBNJSZFYCI-UHFFFAOYSA-N 0 0 186.284 1.426 10 0 ADAERN COC[C@@H](CO)CC(C)(C)C 258065655 573579831 /nfs/dbraw/zinc/57/98/31/573579831.db2.gz IILKMBTXWLRYAV-MRVPVSSYSA-N 0 0 160.257 1.678 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1n1cccn1 238441592 573579835 /nfs/dbraw/zinc/57/98/35/573579835.db2.gz XKKCMNOWUHDLKV-JGVFFNPUSA-N 0 0 164.208 1.423 10 0 ADAERN CC[C@H]1CC(=O)N(C2CCCC2)N1 257832961 573579855 /nfs/dbraw/zinc/57/98/55/573579855.db2.gz KFSQARIOROBIFO-QMMMGPOBSA-N 0 0 182.267 1.445 10 0 ADAERN O[C@H](c1ccc(F)cn1)[C@@H]1CCOC1 86704862 573579892 /nfs/dbraw/zinc/57/98/92/573579892.db2.gz DDNGFPCWDLPVDJ-XCBNKYQSSA-N 0 0 197.209 1.291 10 0 ADAERN CC(C)CC1=C(C(=O)[O-])C[N@H+](C)CC1 257833011 573579904 /nfs/dbraw/zinc/57/99/04/573579904.db2.gz JWRZANQUSTZBQT-UHFFFAOYSA-N 0 0 197.278 1.749 10 0 ADAERN COC[C@@](C)(O)c1cc(C)cc(F)c1 86692688 573579908 /nfs/dbraw/zinc/57/99/08/573579908.db2.gz OZNLYPRIWRKCRN-LLVKDONJSA-N 0 0 198.237 1.988 10 0 ADAERN CCCCNc1ncns1 83652198 573579909 /nfs/dbraw/zinc/57/99/09/573579909.db2.gz PCRZMJQXLFYXBE-UHFFFAOYSA-N 0 0 157.242 1.750 10 0 ADAERN Cc1cncn1-c1cccc(N)n1 95929815 573579912 /nfs/dbraw/zinc/57/99/12/573579912.db2.gz WDOOUOLINWRFDI-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C[C@@H]1CCC2=C(C1)O[C@H](O)[C@@]2(C)O 238440544 573579941 /nfs/dbraw/zinc/57/99/41/573579941.db2.gz DWVQXDATVLCPAE-UASFKTIASA-N 0 0 184.235 1.160 10 0 ADAERN Nc1cnn2c1NC[C@H]1CCCC[C@@H]12 236376911 573579943 /nfs/dbraw/zinc/57/99/43/573579943.db2.gz JNPPTDUEADGJJF-APPZFPTMSA-N 0 0 192.266 1.622 10 0 ADAERN OC[C@H](F)c1ccc2c(c1)CCO2 257833293 573582853 /nfs/dbraw/zinc/58/28/53/573582853.db2.gz LAILQVJHNFJPJO-VIFPVBQESA-N 0 0 182.194 1.624 10 0 ADAERN Cc1nc(-c2ccco2)ncc1N 75461416 573579952 /nfs/dbraw/zinc/57/99/52/573579952.db2.gz WZUATRBMKQHMPK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Nc1csc2ncncc12 75465054 573579957 /nfs/dbraw/zinc/57/99/57/573579957.db2.gz CLGOUWGQVGXDJZ-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN COc1sc(C=O)cc1C=O 238441528 573579973 /nfs/dbraw/zinc/57/99/73/573579973.db2.gz LWRGBMYDBCFIFM-UHFFFAOYSA-N 0 0 170.189 1.382 10 0 ADAERN Cc1cc(CCNC(N)=O)ccc1F 258786787 573579979 /nfs/dbraw/zinc/57/99/79/573579979.db2.gz ZGEQEGGUXWQGHJ-UHFFFAOYSA-N 0 0 196.225 1.345 10 0 ADAERN CC(=O)c1oc(N)nc1-c1ccco1 258795223 573579989 /nfs/dbraw/zinc/57/99/89/573579989.db2.gz MXYRPYFXLWJWID-UHFFFAOYSA-N 0 0 192.174 1.719 10 0 ADAERN C[C@H](Nc1ncns1)[C@H]1CCCO1 83653084 573580000 /nfs/dbraw/zinc/58/00/00/573580000.db2.gz HXRFLRGDWIAKJU-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN COc1occc1[C@@H](N)C(F)(F)F 238440975 573580007 /nfs/dbraw/zinc/58/00/07/573580007.db2.gz BSTAOWSZQJCNPN-RXMQYKEDSA-N 0 0 195.140 1.850 10 0 ADAERN Nc1cccc(Nc2ncns2)c1 83651748 573580029 /nfs/dbraw/zinc/58/00/29/573580029.db2.gz VKHRXWZBRMVFPV-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN C[NH2+]C(C)(C)C(C)(C)C(=O)[O-] 83644480 573580088 /nfs/dbraw/zinc/58/00/88/573580088.db2.gz ISQMMZYLUFLGMX-UHFFFAOYSA-N 0 0 159.229 1.095 10 0 ADAERN CC(C)Nc1nc(N(C)C)ns1 83646664 573580068 /nfs/dbraw/zinc/58/00/68/573580068.db2.gz DPCJAERVFINQHC-UHFFFAOYSA-N 0 0 186.284 1.424 10 0 ADAERN Cc1cc(Cl)n2ncc(C=O)c2n1 257833020 573580071 /nfs/dbraw/zinc/58/00/71/573580071.db2.gz JXDCAYOGCMRHAT-UHFFFAOYSA-N 0 0 195.609 1.504 10 0 ADAERN Cc1nsc(-n2ccnc2C)n1 83650242 573580076 /nfs/dbraw/zinc/58/00/76/573580076.db2.gz IVJIJTTZNYMHFT-UHFFFAOYSA-N 0 0 180.236 1.341 10 0 ADAERN COC(=O)C(C)(C)C1(C)COC1 258800529 573582863 /nfs/dbraw/zinc/58/28/63/573582863.db2.gz WVDDDNWRAKAHSW-UHFFFAOYSA-N 0 0 172.224 1.222 10 0 ADAERN CC(C)[C@H](C)OC(=O)C1CC1 144338144 573580120 /nfs/dbraw/zinc/58/01/20/573580120.db2.gz VDXAXQYJINXWCP-ZETCQYMHSA-N 0 0 156.225 1.984 10 0 ADAERN C[C@@H]1C(=O)c2ccc(F)cc2[C@H]1O 238440555 573580136 /nfs/dbraw/zinc/58/01/36/573580136.db2.gz SMUBNKMFMSPDBO-FWOIEVBISA-N 0 0 180.178 1.692 10 0 ADAERN C[C@]12CCCC(=O)[C@@H]1[C@@H](O)CCC2 238440988 573580142 /nfs/dbraw/zinc/58/01/42/573580142.db2.gz FZPMZNSKAKQMBT-LSJOCFKGSA-N 0 0 182.263 1.907 10 0 ADAERN C[Si](C)(C)[C@@H]1CC(CO)=NO1 238445602 573580150 /nfs/dbraw/zinc/58/01/50/573580150.db2.gz XEOACFNRIVUQIQ-SSDOTTSWSA-N 0 0 173.288 1.001 10 0 ADAERN FC(F)(F)CCNCc1nnco1 308401986 573580158 /nfs/dbraw/zinc/58/01/58/573580158.db2.gz IXBGXVKRBTUUJJ-UHFFFAOYSA-N 0 0 195.144 1.112 10 0 ADAERN O[C@@H](c1ccc(F)cn1)[C@H]1CCOC1 86704866 573580196 /nfs/dbraw/zinc/58/01/96/573580196.db2.gz DDNGFPCWDLPVDJ-OIBJUYFYSA-N 0 0 197.209 1.291 10 0 ADAERN C[C@@H](O)[C@@]1(C)CC1(Cl)Cl 238441441 573580198 /nfs/dbraw/zinc/58/01/98/573580198.db2.gz OOACCSVGPIZOCB-RFZPGFLSSA-N 0 0 169.051 1.951 10 0 ADAERN O=C(c1ccc(F)cn1)[C@@H]1CCOC1 86704337 573580217 /nfs/dbraw/zinc/58/02/17/573580217.db2.gz XNLGXIHFHOELKR-SSDOTTSWSA-N 0 0 195.193 1.440 10 0 ADAERN Cc1nsc(CC(=O)C(C)C)n1 83649576 573580219 /nfs/dbraw/zinc/58/02/19/573580219.db2.gz TYIKYURHIGPQRE-UHFFFAOYSA-N 0 0 184.264 1.614 10 0 ADAERN CC(C)c1ccc(CCO)nc1 259516176 573580229 /nfs/dbraw/zinc/58/02/29/573580229.db2.gz ZVRVLLSQQCULAB-UHFFFAOYSA-N 0 0 165.236 1.740 10 0 ADAERN C[C@H]1[C@H](c2ccccc2)O[C@@H](N)N1C 238441333 573580231 /nfs/dbraw/zinc/58/02/31/573580231.db2.gz KHSUYHQKAPWTHG-GDPRMGEGSA-N 0 0 192.262 1.321 10 0 ADAERN O=Cc1ccncc1-c1ccccn1 82393412 573582868 /nfs/dbraw/zinc/58/28/68/573582868.db2.gz IYDIMQAOYSMOTR-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN COC(=O)c1onc(C(C)(C)C)c1N 259516147 573580237 /nfs/dbraw/zinc/58/02/37/573580237.db2.gz WRLMUDZZODVTOA-UHFFFAOYSA-N 0 0 198.222 1.341 10 0 ADAERN CCOn1c(C)c[nH]c1=S 144415155 573580252 /nfs/dbraw/zinc/58/02/52/573580252.db2.gz PMBZUUTULPTUDX-UHFFFAOYSA-N 0 0 158.226 1.303 10 0 ADAERN OC1([C@@H]2CCCOC2)CCCC1 224945748 573580269 /nfs/dbraw/zinc/58/02/69/573580269.db2.gz ULCFUUYAXPKMQT-SECBINFHSA-N 0 0 170.252 1.718 10 0 ADAERN CC(C)(C)Nc1ncns1 83647022 573580278 /nfs/dbraw/zinc/58/02/78/573580278.db2.gz PSVRMJKZEAGRMC-UHFFFAOYSA-N 0 0 157.242 1.749 10 0 ADAERN CCc1nccn1-c1nc(C)ns1 83650244 573580304 /nfs/dbraw/zinc/58/03/04/573580304.db2.gz WZKRYXXKHRSIGL-UHFFFAOYSA-N 0 0 194.263 1.595 10 0 ADAERN CCN(C(=O)C=C(C)C)[C@H]1CCOC1 308639434 573580307 /nfs/dbraw/zinc/58/03/07/573580307.db2.gz CHFCLXDXGHETOP-JTQLQIEISA-N 0 0 197.278 1.590 10 0 ADAERN Cc1cc(CO)cc2cc[nH]c12 144379695 573580329 /nfs/dbraw/zinc/58/03/29/573580329.db2.gz PMTQGGLRKYQEJA-UHFFFAOYSA-N 0 0 161.204 1.969 10 0 ADAERN CCCNc1ncns1 83646597 573580367 /nfs/dbraw/zinc/58/03/67/573580367.db2.gz KAPLCEZFHMXOIF-UHFFFAOYSA-N 0 0 143.215 1.360 10 0 ADAERN CO[C@@H]([C@H](NN)C(C)C)C(C)(C)C 124676817 573580368 /nfs/dbraw/zinc/58/03/68/573580368.db2.gz NIHHDHGEUGVJGR-BDAKNGLRSA-N 0 0 188.315 1.535 10 0 ADAERN O[C@H]1CCS[C@]2(CCSC2)C1 82390205 573580372 /nfs/dbraw/zinc/58/03/72/573580372.db2.gz SKUXBQAFEXWOKV-JGVFFNPUSA-N 0 0 190.333 1.750 10 0 ADAERN Oc1cccc([C@@H]2C[C@H]2O)c1 259115133 573582882 /nfs/dbraw/zinc/58/28/82/573582882.db2.gz FMEFMTWUNAUPPJ-DTWKUNHWSA-N 0 0 150.177 1.240 10 0 ADAERN c1nsc(NC[C@@H]2CCCO2)n1 83652521 573580443 /nfs/dbraw/zinc/58/04/43/573580443.db2.gz MBFIXKZKJSPYFJ-LURJTMIESA-N 0 0 185.252 1.129 10 0 ADAERN CC(=O)[C@]1(O)CCC(C)=C[C@@H]1C 238441589 573580463 /nfs/dbraw/zinc/58/04/63/573580463.db2.gz BUQKKTHHJQPUQT-WPRPVWTQSA-N 0 0 168.236 1.683 10 0 ADAERN CNc1nc(N2CCCCC2)ns1 83646073 573580474 /nfs/dbraw/zinc/58/04/74/573580474.db2.gz LHPQODMISKJUBR-UHFFFAOYSA-N 0 0 198.295 1.570 10 0 ADAERN C[C@H]1CCCC[C@]12OCCN2CCO 238440604 573580495 /nfs/dbraw/zinc/58/04/95/573580495.db2.gz RPXJJFCISBDUEQ-QWRGUYRKSA-N 0 0 199.294 1.217 10 0 ADAERN Cc1c(C(F)F)cc(N)nc1C=O 238440490 573580517 /nfs/dbraw/zinc/58/05/17/573580517.db2.gz BFRDSIJEPNDMTQ-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C=Cc1nc(-c2ccc(F)cn2)no1 86704075 573580519 /nfs/dbraw/zinc/58/05/19/573580519.db2.gz CXWDICKJEXANNZ-UHFFFAOYSA-N 0 0 191.165 1.914 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@H](C)[C@@H]2O 238440576 573580522 /nfs/dbraw/zinc/58/05/22/573580522.db2.gz BYQYZTCNQVADSP-XVKPBYJWSA-N 0 0 176.215 1.861 10 0 ADAERN OC1([C@H]2CCCOC2)CCCC1 224945795 573580528 /nfs/dbraw/zinc/58/05/28/573580528.db2.gz ULCFUUYAXPKMQT-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN Cn1ncc(C2CCCC2)c(N)c1=O 258066564 573580534 /nfs/dbraw/zinc/58/05/34/573580534.db2.gz VPCTTYVKPCGQDH-UHFFFAOYSA-N 0 0 193.250 1.020 10 0 ADAERN C[C@@H]1CCCC(C)(C)[C@@]1(O)CO 238445582 573580538 /nfs/dbraw/zinc/58/05/38/573580538.db2.gz WRRRGAIGWSZEAA-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN CNc1nc(-c2ccncn2)ns1 83646280 573580540 /nfs/dbraw/zinc/58/05/40/573580540.db2.gz UBNQYJFQONGWBG-UHFFFAOYSA-N 0 0 193.235 1.037 10 0 ADAERN COC[C@](C)(O)c1cc(C)cc(F)c1 86692689 573580541 /nfs/dbraw/zinc/58/05/41/573580541.db2.gz OZNLYPRIWRKCRN-NSHDSACASA-N 0 0 198.237 1.988 10 0 ADAERN C[C@@H](O)[C@@]1(C)CC12CC2 238441454 573580542 /nfs/dbraw/zinc/58/05/42/573580542.db2.gz UMZZHYYSOAUMFD-RNFRBKRXSA-N 0 0 126.199 1.557 10 0 ADAERN COC1CCC(N2CCCC2=O)CC1 144390349 573580555 /nfs/dbraw/zinc/58/05/55/573580555.db2.gz QPLOJYCHGGAJOX-UHFFFAOYSA-N 0 0 197.278 1.566 10 0 ADAERN OC1CCC2(CCOC2)CC1 144417835 573580596 /nfs/dbraw/zinc/58/05/96/573580596.db2.gz NGJSBONNRJQNEZ-UHFFFAOYSA-N 0 0 156.225 1.328 10 0 ADAERN CNc1nc(-c2cccnc2)ns1 83646215 573580600 /nfs/dbraw/zinc/58/06/00/573580600.db2.gz OBYHQSNIBLBRNL-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN C[C@H]1CC[C@H](CCO)CC1=O 238441512 573580622 /nfs/dbraw/zinc/58/06/22/573580622.db2.gz GEGZJCCYPUZEPS-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN Clc1nc(-c2ncccn2)ns1 83645886 573580632 /nfs/dbraw/zinc/58/06/32/573580632.db2.gz KSXMQSFMKPUXHM-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CCN(CC)c1nsc(NC)n1 83646145 573580667 /nfs/dbraw/zinc/58/06/67/573580667.db2.gz ZSBKGWSWIQBXMM-UHFFFAOYSA-N 0 0 186.284 1.426 10 0 ADAERN COc1occc1[C@H](N)C(F)(F)F 238441172 573580698 /nfs/dbraw/zinc/58/06/98/573580698.db2.gz BSTAOWSZQJCNPN-YFKPBYRVSA-N 0 0 195.140 1.850 10 0 ADAERN CCOC(=O)[C@H]1[C@H](OC)C12CCC2 259615836 573580708 /nfs/dbraw/zinc/58/07/08/573580708.db2.gz NDWCTPSVYBYSGB-SFYZADRCSA-N 0 0 184.235 1.365 10 0 ADAERN C[C@@H]1C(=O)CC(=O)C(C)(C)[C@@H]1C 238441139 573580714 /nfs/dbraw/zinc/58/07/14/573580714.db2.gz WVRCLHRBZRYLLO-NKWVEPMBSA-N 0 0 168.236 1.827 10 0 ADAERN C[NH2+][C@@H](CC(C)C)[C@H](C)C(=O)[O-] 259115693 573580738 /nfs/dbraw/zinc/58/07/38/573580738.db2.gz AZODDYBCHUKHEI-YUMQZZPRSA-N 0 0 173.256 1.341 10 0 ADAERN O[C@@H](c1ccc(F)cn1)[C@@H]1CCOC1 86704860 573580760 /nfs/dbraw/zinc/58/07/60/573580760.db2.gz DDNGFPCWDLPVDJ-GMSGAONNSA-N 0 0 197.209 1.291 10 0 ADAERN C[C@@H](O)[C@@]1(C)C=CCCC1=O 238441408 573580777 /nfs/dbraw/zinc/58/07/77/573580777.db2.gz ZJOGHNCHHDBOSZ-VXNVDRBHSA-N 0 0 154.209 1.293 10 0 ADAERN C[C@@H](O)[C@@](F)(Cl)C(F)F 238441135 573580782 /nfs/dbraw/zinc/58/07/82/573580782.db2.gz ANPIRKJDWXIZGJ-FONMRSAGSA-N 0 0 162.538 1.537 10 0 ADAERN CCCn1ncc(C=O)c1F 259516094 573580791 /nfs/dbraw/zinc/58/07/91/573580791.db2.gz ZTVXKGDBFGBTTF-UHFFFAOYSA-N 0 0 156.160 1.245 10 0 ADAERN C[C@@H](O)[C@@]1(C(C)(C)C)CO1 238441339 573580813 /nfs/dbraw/zinc/58/08/13/573580813.db2.gz ABUJPVUZAOWZBQ-HTRCEHHLSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1c(C=O)ncc(N)c1C(F)F 238440897 573580816 /nfs/dbraw/zinc/58/08/16/573580816.db2.gz VDQDQFDLPOSVSG-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CCc1nc2c(s1)C[C@@H](CO)CC2 144411493 573580908 /nfs/dbraw/zinc/58/09/08/573580908.db2.gz GDSLLGUBDBYYID-ZETCQYMHSA-N 0 0 197.303 1.803 10 0 ADAERN C[C@@H](CC(=O)[O-])C[C@H]1CC[N@H+](C)C1 259114427 573580843 /nfs/dbraw/zinc/58/08/43/573580843.db2.gz LDROCIGBKBPBHB-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN COc1oc(C)cc(=O)c1C 238440714 573580849 /nfs/dbraw/zinc/58/08/49/573580849.db2.gz MOUYXAXSICKRAM-UHFFFAOYSA-N 0 0 154.165 1.265 10 0 ADAERN CNc1nc(CC(F)(F)F)ns1 83646218 573580852 /nfs/dbraw/zinc/58/08/52/573580852.db2.gz OFXSCHUCCXKPNR-UHFFFAOYSA-N 0 0 197.185 1.685 10 0 ADAERN 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/nfs/dbraw/zinc/58/10/79/573581079.db2.gz HVPPKNQWKUNRDO-SSDOTTSWSA-N 0 0 184.239 1.976 10 0 ADAERN CCC[C@@H](F)c1cc(=O)[nH]cn1 144398267 573580996 /nfs/dbraw/zinc/58/09/96/573580996.db2.gz IFYSSACPLJDNOT-ZCFIWIBFSA-N 0 0 170.187 1.581 10 0 ADAERN CC[C@@H](CO)c1nc2ncccc2o1 259516071 573581012 /nfs/dbraw/zinc/58/10/12/573581012.db2.gz PIDZDPJLRZTGFG-ZETCQYMHSA-N 0 0 192.218 1.709 10 0 ADAERN C[C@@H](O)[C@@]1(C)CCC(C)(C)C1=O 238441509 573581025 /nfs/dbraw/zinc/58/10/25/573581025.db2.gz PLBBZQUNIJAPSI-GMSGAONNSA-N 0 0 170.252 1.763 10 0 ADAERN Nc1cnc2onc(C3CC3)c2c1 107407565 573581050 /nfs/dbraw/zinc/58/10/50/573581050.db2.gz ISUONZNQSUDOCO-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CCOC(=O)NCCc1ccc[nH]1 308403177 573581065 /nfs/dbraw/zinc/58/10/65/573581065.db2.gz IEKPAGGJJKBNGS-UHFFFAOYSA-N 0 0 182.223 1.303 10 0 ADAERN CC[C@](C)(F)c1nc[nH]c(=O)c1C 144409770 573581105 /nfs/dbraw/zinc/58/11/05/573581105.db2.gz XAZCQJKTCNEVBB-VIFPVBQESA-N 0 0 184.214 1.673 10 0 ADAERN c1nsc(NCC2CC2)n1 83652055 573581109 /nfs/dbraw/zinc/58/11/09/573581109.db2.gz WZADWSOSYSVZCY-UHFFFAOYSA-N 0 0 155.226 1.360 10 0 ADAERN C[C@]12O[C@@]1(CO)Oc1ccccc12 238440640 573581116 /nfs/dbraw/zinc/58/11/16/573581116.db2.gz VNQSBFZSLIZURA-NXEZZACHSA-N 0 0 178.187 1.013 10 0 ADAERN CNc1nc(-c2ccncc2)ns1 83646140 573581118 /nfs/dbraw/zinc/58/11/18/573581118.db2.gz DDDUWIWJGUFOQC-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CC(C)[C@H](O)c1ccc(F)cn1 86704796 573581139 /nfs/dbraw/zinc/58/11/39/573581139.db2.gz FEIJBIAJRQILKC-VIFPVBQESA-N 0 0 169.199 1.910 10 0 ADAERN C[C@H](Nc1ncns1)C1CC1 83653056 573581160 /nfs/dbraw/zinc/58/11/60/573581160.db2.gz NXOMLKAFUWUDKG-YFKPBYRVSA-N 0 0 169.253 1.749 10 0 ADAERN COC(=O)C=C(N)c1ccccc1C 144390196 573581163 /nfs/dbraw/zinc/58/11/63/573581163.db2.gz VWJZPCCYPKOGRP-JXMROGBWSA-N 0 0 191.230 1.468 10 0 ADAERN COC(C)(C)CCOC(=O)C(F)F 308403880 573581204 /nfs/dbraw/zinc/58/12/04/573581204.db2.gz INIYKVYURXPOHS-UHFFFAOYSA-N 0 0 196.193 1.610 10 0 ADAERN 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1.363 10 0 ADAERN C[C@H](CC(=O)[O-])C[C@@H]1CC[N@H+](C)C1 259114424 573581255 /nfs/dbraw/zinc/58/12/55/573581255.db2.gz LDROCIGBKBPBHB-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN C/C=C/CCNC(=S)NC1CCC1 308402318 573581275 /nfs/dbraw/zinc/58/12/75/573581275.db2.gz JHVISZHKHORKMA-NSCUHMNNSA-N 0 0 198.335 1.969 10 0 ADAERN CCO[C@@H](C)c1nsc(NC)n1 83646282 573581287 /nfs/dbraw/zinc/58/12/87/573581287.db2.gz RIJJSSWODSHMBW-YFKPBYRVSA-N 0 0 187.268 1.677 10 0 ADAERN CNc1cc(-c2cc[nH]c2)[nH]n1 259116469 573581321 /nfs/dbraw/zinc/58/13/21/573581321.db2.gz IKOSLKJXELGCRQ-UHFFFAOYSA-N 0 0 162.196 1.447 10 0 ADAERN C[NH2+][C@H](CCCC(=O)[O-])c1cc[nH]c1 259115786 573581301 /nfs/dbraw/zinc/58/13/01/573581301.db2.gz BAFZDFCABKOCPX-SECBINFHSA-N 0 0 196.250 1.530 10 0 ADAERN CC(C)[C@H](C)Nc1ncns1 83652646 573581306 /nfs/dbraw/zinc/58/13/06/573581306.db2.gz TZRHPELLZMDVKT-LURJTMIESA-N 0 0 171.269 1.995 10 0 ADAERN C[C@H]1CC[C@H](CCCO)C1=O 238441353 573581347 /nfs/dbraw/zinc/58/13/47/573581347.db2.gz NXIDBFANCVGKMD-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN OCCC[C@H](O)c1ccsc1 144366313 573581350 /nfs/dbraw/zinc/58/13/50/573581350.db2.gz CFJFBEWAHMELMW-QMMMGPOBSA-N 0 0 172.249 1.554 10 0 ADAERN CC(=O)N(C)[C@H](CO)C1CCCC1 259116432 573581351 /nfs/dbraw/zinc/58/13/51/573581351.db2.gz DBOIXOQDOJXHFM-SNVBAGLBSA-N 0 0 185.267 1.016 10 0 ADAERN CCCn1ccnc1SCC(C)=O 308403461 573581354 /nfs/dbraw/zinc/58/13/54/573581354.db2.gz IIGZCRGHFXOAKV-UHFFFAOYSA-N 0 0 198.291 1.974 10 0 ADAERN CC(=O)CCCN1CCC(C)(C)C1=O 308639602 573581356 /nfs/dbraw/zinc/58/13/56/573581356.db2.gz CIKKKLMCPIVTPT-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CC(C)CCNc1ncns1 83652248 573581363 /nfs/dbraw/zinc/58/13/63/573581363.db2.gz VGUJTWWONHGNOA-UHFFFAOYSA-N 0 0 171.269 1.996 10 0 ADAERN Cc1cc(N)cc(C)c1OC[C@H](C)O 83676147 573583454 /nfs/dbraw/zinc/58/34/54/573583454.db2.gz QELDXMMPTKAYIW-VIFPVBQESA-N 0 0 195.262 1.645 10 0 ADAERN C[C@]12O[C@H]1[C@@H](O)c1ccccc1C2=O 238440757 573581395 /nfs/dbraw/zinc/58/13/95/573581395.db2.gz VXTIBAIKIDWHKM-INTQDDNPSA-N 0 0 190.198 1.074 10 0 ADAERN Cc1ccc2cnn(N)c2c1 144355632 573581396 /nfs/dbraw/zinc/58/13/96/573581396.db2.gz SZUWOPWZICEVOB-UHFFFAOYSA-N 0 0 147.181 1.059 10 0 ADAERN CCOC(=O)[C@H]1[C@@H](OC)C12CCC2 259615829 573581411 /nfs/dbraw/zinc/58/14/11/573581411.db2.gz NDWCTPSVYBYSGB-HTQZYQBOSA-N 0 0 184.235 1.365 10 0 ADAERN CN[C@@H](C)C(=O)O[C@H]1CCC[C@H](C)C1 308639445 573581412 /nfs/dbraw/zinc/58/14/12/573581412.db2.gz CHXCHMNNRBMZBX-GUBZILKMSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)CNc1ncns1 83647143 573581432 /nfs/dbraw/zinc/58/14/32/573581432.db2.gz UHHBSVBJIDOXMY-UHFFFAOYSA-N 0 0 157.242 1.606 10 0 ADAERN Oc1cccc([C@H]2C[C@H]2O)c1 259115176 573581440 /nfs/dbraw/zinc/58/14/40/573581440.db2.gz FMEFMTWUNAUPPJ-RKDXNWHRSA-N 0 0 150.177 1.240 10 0 ADAERN CCC(=O)c1cc(N)cs1 75468164 573581443 /nfs/dbraw/zinc/58/14/43/573581443.db2.gz GETKCIGSUHTBBE-UHFFFAOYSA-N 0 0 155.222 1.923 10 0 ADAERN COCc1ccc2c(c1)CC(=O)N2C 259115229 573581445 /nfs/dbraw/zinc/58/14/45/573581445.db2.gz BPXPCNNDKNNNFD-UHFFFAOYSA-N 0 0 191.230 1.352 10 0 ADAERN C[C@@H](O)[C@]1(C)C=CCC1 238441557 573581465 /nfs/dbraw/zinc/58/14/65/573581465.db2.gz NAPXSQJEKIHFPI-HTQZYQBOSA-N 0 0 126.199 1.724 10 0 ADAERN C/C=C\CCNC(=S)NC1CCC1 308402312 573581482 /nfs/dbraw/zinc/58/14/82/573581482.db2.gz JHVISZHKHORKMA-IHWYPQMZSA-N 0 0 198.335 1.969 10 0 ADAERN CNOCCC[C@@H]1CCCCO1 258066368 573583583 /nfs/dbraw/zinc/58/35/83/573583583.db2.gz VNHNZQVFVMBZQH-VIFPVBQESA-N 0 0 173.256 1.487 10 0 ADAERN O=C(CC1=NCCO1)c1cc[nH]c1 259116283 573581524 /nfs/dbraw/zinc/58/15/24/573581524.db2.gz IHVIAQQGERKCKC-UHFFFAOYSA-N 0 0 178.191 1.016 10 0 ADAERN O=Nc1ccc(NCCO)cc1 144401395 573581574 /nfs/dbraw/zinc/58/15/74/573581574.db2.gz QLORPNAAALPCKX-UHFFFAOYSA-N 0 0 166.180 1.489 10 0 ADAERN Cc1cccn1[C@H]1CCOC1=O 36448037 573581577 /nfs/dbraw/zinc/58/15/77/573581577.db2.gz CEKBLMYSGAMWGP-QMMMGPOBSA-N 0 0 165.192 1.285 10 0 ADAERN COC1=C(C(F)F)C(=O)CNC1=O 238440677 573581585 /nfs/dbraw/zinc/58/15/85/573581585.db2.gz CVMDAVXRUCZVKF-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN OCCC[C@@H](O)c1ccsc1 144366095 573581594 /nfs/dbraw/zinc/58/15/94/573581594.db2.gz CFJFBEWAHMELMW-MRVPVSSYSA-N 0 0 172.249 1.554 10 0 ADAERN c1nsc(NCC2CCC2)n1 83652720 573581598 /nfs/dbraw/zinc/58/15/98/573581598.db2.gz FGVFWTSNBNSAAB-UHFFFAOYSA-N 0 0 169.253 1.750 10 0 ADAERN OCc1cc2cnc(Cl)cc2cn1 144319544 573581620 /nfs/dbraw/zinc/58/16/20/573581620.db2.gz QJHMGYXAEZXSIT-UHFFFAOYSA-N 0 0 194.621 1.776 10 0 ADAERN COCCCc1nsc(Cl)n1 83645997 573581634 /nfs/dbraw/zinc/58/16/34/573581634.db2.gz MMBBXXNESMJAKO-UHFFFAOYSA-N 0 0 192.671 1.771 10 0 ADAERN CC(=O)c1n[nH]c2cccc(F)c12 107409359 573581638 /nfs/dbraw/zinc/58/16/38/573581638.db2.gz LBELMDKCRYWFMU-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN CC[C@H](CO)c1nc2ncccc2o1 259516070 573581667 /nfs/dbraw/zinc/58/16/67/573581667.db2.gz PIDZDPJLRZTGFG-SSDOTTSWSA-N 0 0 192.218 1.709 10 0 ADAERN CNc1nc(C[C@H]2CCCO2)ns1 83646096 573581712 /nfs/dbraw/zinc/58/17/12/573581712.db2.gz UVLVPWKMRAPEQX-ZCFIWIBFSA-N 0 0 199.279 1.301 10 0 ADAERN C[C@H](O)c1ccc(/C=C/CO)cc1 238440909 573581774 /nfs/dbraw/zinc/58/17/74/573581774.db2.gz SDJVGMPWALVBLI-HPOULIHZSA-N 0 0 178.231 1.745 10 0 ADAERN C[C@@H]1C(=O)[C@H]1c1ccccc1 238441055 573581786 /nfs/dbraw/zinc/58/17/86/573581786.db2.gz GQQVUEVRXRWUDL-IONNQARKSA-N 0 0 146.189 1.989 10 0 ADAERN CC(=O)[C@@H]1CCC(=O)[C@H](C)[C@@H]1C 238440967 573581793 /nfs/dbraw/zinc/58/17/93/573581793.db2.gz XQCYWCQGAXLALM-LKEWCRSYSA-N 0 0 168.236 1.827 10 0 ADAERN c1coc(CNc2ncns2)c1 83651949 573581806 /nfs/dbraw/zinc/58/18/06/573581806.db2.gz MIMMLOWLIWIPPA-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H](C(N)=O)C1 238440611 573581808 /nfs/dbraw/zinc/58/18/08/573581808.db2.gz XFTFZRUKVXDWEE-PRJMDXOYSA-N 0 0 155.241 1.544 10 0 ADAERN FC1(F)CCCNC12CCOCC2 258796963 573583469 /nfs/dbraw/zinc/58/34/69/573583469.db2.gz HBPMUOXXPMQQJV-UHFFFAOYSA-N 0 0 191.221 1.554 10 0 ADAERN C[C@H](O)c1ccccc1C1OCCO1 238441801 573583470 /nfs/dbraw/zinc/58/34/70/573583470.db2.gz IWEWXKLJPPFTSE-QMMMGPOBSA-N 0 0 194.230 1.785 10 0 ADAERN C[C@@H]1[C@@H](O)C[C@@]12CC2(C)C 238445590 573581816 /nfs/dbraw/zinc/58/18/16/573581816.db2.gz XTWWLHNPTIHPDX-BKPPORCPSA-N 0 0 140.226 1.803 10 0 ADAERN Cn1cc2c(n1)CCC1(CC1)C2=O 107408088 573581818 /nfs/dbraw/zinc/58/18/18/573581818.db2.gz KBWDWFBKIPEODH-UHFFFAOYSA-N 0 0 176.219 1.329 10 0 ADAERN Cc1nsc(-n2cccn2)n1 83650239 573581833 /nfs/dbraw/zinc/58/18/33/573581833.db2.gz UNEYXFWYHHEPIK-UHFFFAOYSA-N 0 0 166.209 1.032 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1C[NH+]2CCC1CC2 86717568 573581845 /nfs/dbraw/zinc/58/18/45/573581845.db2.gz SBNKZBKKMSUKSU-CBAPKCEASA-N 0 0 183.251 1.049 10 0 ADAERN C[C@H](O)c1ccc([S@@](C)=O)cc1 238440849 573581871 /nfs/dbraw/zinc/58/18/71/573581871.db2.gz NUOHQKHMEMPALT-JVXZTZIISA-N 0 0 184.260 1.477 10 0 ADAERN COc1ccc2c(c1)O[C@@H](C)C2=O 107409407 573581882 /nfs/dbraw/zinc/58/18/82/573581882.db2.gz JLUMBZHKKNHJDG-LURJTMIESA-N 0 0 178.187 1.659 10 0 ADAERN N[C@@H](c1ccc(F)cn1)c1ccco1 86705167 573581893 /nfs/dbraw/zinc/58/18/93/573581893.db2.gz FFNJVTHEKXNBIE-JTQLQIEISA-N 0 0 192.193 1.862 10 0 ADAERN O=C(OCC1CC1)C1=CCCCO1 308403801 573581922 /nfs/dbraw/zinc/58/19/22/573581922.db2.gz KIQGBZIPHMMKHY-UHFFFAOYSA-N 0 0 182.219 1.634 10 0 ADAERN FC1(F)CCCN[C@]12CCOC2 257833180 573581930 /nfs/dbraw/zinc/58/19/30/573581930.db2.gz AESNORVUDJCVGW-ZETCQYMHSA-N 0 0 177.194 1.164 10 0 ADAERN O=C1c2oncc2CCC12CCC2 107408642 573581949 /nfs/dbraw/zinc/58/19/49/573581949.db2.gz BWUDLCJQVPPWEC-UHFFFAOYSA-N 0 0 177.203 1.974 10 0 ADAERN CN(C)c1nsc(NC2CC2)n1 83646816 573581963 /nfs/dbraw/zinc/58/19/63/573581963.db2.gz OEABBLCOFKBRME-UHFFFAOYSA-N 0 0 184.268 1.178 10 0 ADAERN CC(=O)N(C)[C@@H](CO)C1CCCC1 259116430 573581974 /nfs/dbraw/zinc/58/19/74/573581974.db2.gz DBOIXOQDOJXHFM-JTQLQIEISA-N 0 0 185.267 1.016 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 86717655 573581989 /nfs/dbraw/zinc/58/19/89/573581989.db2.gz QYCMRQGURCALGX-SFYZADRCSA-N 0 0 183.251 1.191 10 0 ADAERN CCOC(=O)[C@@H]1[C@H](OC)C12CCC2 259615839 573581992 /nfs/dbraw/zinc/58/19/92/573581992.db2.gz NDWCTPSVYBYSGB-YUMQZZPRSA-N 0 0 184.235 1.365 10 0 ADAERN C[C@@]12C=C[C@@](CO)(O1)c1ccccc12 238440791 573582006 /nfs/dbraw/zinc/58/20/06/573582006.db2.gz KWYINIUEUYAPID-RYUDHWBXSA-N 0 0 188.226 1.689 10 0 ADAERN Cn1nc(C=O)c2cccc(F)c21 107409366 573582018 /nfs/dbraw/zinc/58/20/18/573582018.db2.gz YNMOTGSHEHNOIM-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN CNc1nc(-c2ccco2)ns1 83646236 573582023 /nfs/dbraw/zinc/58/20/23/573582023.db2.gz IESAJVYPGSQNGO-UHFFFAOYSA-N 0 0 181.220 1.840 10 0 ADAERN CCOC(=O)/C=C/Cc1cccnc1 308404061 573582028 /nfs/dbraw/zinc/58/20/28/573582028.db2.gz ZXULVARYVNHSGO-XVNBXDOJSA-N 0 0 191.230 1.743 10 0 ADAERN O=C([O-])/C(F)=C1/C[NH+]2CCC1CC2 86716931 573582032 /nfs/dbraw/zinc/58/20/32/573582032.db2.gz OGEHHKMNNWSJJX-BQYQJAHWSA-N 0 0 185.198 1.020 10 0 ADAERN OCc1c[nH]c(-c2ccc(F)cn2)n1 86707947 573582040 /nfs/dbraw/zinc/58/20/40/573582040.db2.gz GDXLMCQISOOFLX-UHFFFAOYSA-N 0 0 193.181 1.103 10 0 ADAERN c1nsc(NC2CC2)n1 83646907 573582044 /nfs/dbraw/zinc/58/20/44/573582044.db2.gz UXNSFGJFOGKPRC-UHFFFAOYSA-N 0 0 141.199 1.112 10 0 ADAERN C/C=C/C[NH2+]C(C)(C)C(=O)[O-] 83644275 573582072 /nfs/dbraw/zinc/58/20/72/573582072.db2.gz WDMMIWAXPZWWQR-SNAWJCMRSA-N 0 0 157.213 1.015 10 0 ADAERN c1cncc(CNc2ncns2)c1 83652592 573582079 /nfs/dbraw/zinc/58/20/79/573582079.db2.gz DQPSVMVXNDIVPN-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN C[C@@]12CCC[C@H](O)[C@]1(C)C2 238441066 573582095 /nfs/dbraw/zinc/58/20/95/573582095.db2.gz SXHLXJHBQJVVSR-CIUDSAMLSA-N 0 0 140.226 1.948 10 0 ADAERN C[C@H](CO)NCc1coc(C2CC2)n1 308638403 573582126 /nfs/dbraw/zinc/58/21/26/573582126.db2.gz DAVULVAFQIFJBC-SSDOTTSWSA-N 0 0 196.250 1.022 10 0 ADAERN CC[NH+]1CCC(=C(F)C(=O)[O-])CC1 86717252 573582142 /nfs/dbraw/zinc/58/21/42/573582142.db2.gz BBCVGVOVIBVGSL-UHFFFAOYSA-N 0 0 187.214 1.410 10 0 ADAERN Clc1nc(-c2ccncn2)ns1 83645983 573582152 /nfs/dbraw/zinc/58/21/52/573582152.db2.gz TXOMISROODDJGH-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CNc1nc(-c2ccccn2)ns1 83646064 573582178 /nfs/dbraw/zinc/58/21/78/573582178.db2.gz LPOFZSLYNJUBJN-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN C[C@H](Nc1ncns1)[C@@H]1CCCO1 83653079 573582191 /nfs/dbraw/zinc/58/21/91/573582191.db2.gz HXRFLRGDWIAKJU-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 86717649 573582192 /nfs/dbraw/zinc/58/21/92/573582192.db2.gz QYCMRQGURCALGX-JGVFFNPUSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@]12CC=CNC(=O)[C@@H]1CCC2 238441535 573582195 /nfs/dbraw/zinc/58/21/95/573582195.db2.gz PNYXEDXJWZHFNJ-WPRPVWTQSA-N 0 0 165.236 1.826 10 0 ADAERN CC(=O)c1c2ncncc2cn1C 75467091 573582208 /nfs/dbraw/zinc/58/22/08/573582208.db2.gz VYDHJVBJSPGJDN-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN CO[C@@]1(C)CCC[N@@H+](/C=C\C(=O)[O-])C1 308402785 573584534 /nfs/dbraw/zinc/58/45/34/573584534.db2.gz BBTLXKCTBYSUKE-VAWSOJLPSA-N 0 0 199.250 1.086 10 0 ADAERN OC1CCC(Nc2ncns2)CC1 83652068 573582247 /nfs/dbraw/zinc/58/22/47/573582247.db2.gz YIMBHTWZWAUYGO-UHFFFAOYSA-N 0 0 199.279 1.254 10 0 ADAERN COC(=O)[C@H]1Cc2ccc(O)cc2C1 144470962 573582269 /nfs/dbraw/zinc/58/22/69/573582269.db2.gz YIHFTASGYLUZRL-VIFPVBQESA-N 0 0 192.214 1.280 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]1C[NH+]2CCC1CC2 86717573 573582276 /nfs/dbraw/zinc/58/22/76/573582276.db2.gz SBNKZBKKMSUKSU-VXNVDRBHSA-N 0 0 183.251 1.049 10 0 ADAERN CCO[C@H](C)c1nsc(NC)n1 83646284 573582292 /nfs/dbraw/zinc/58/22/92/573582292.db2.gz RIJJSSWODSHMBW-RXMQYKEDSA-N 0 0 187.268 1.677 10 0 ADAERN C[C@]12CCCC(=O)[C@H]1[C@@H](O)CCC2 238440799 573582339 /nfs/dbraw/zinc/58/23/39/573582339.db2.gz FZPMZNSKAKQMBT-GDPRMGEGSA-N 0 0 182.263 1.907 10 0 ADAERN CSc1[nH]c(C(=O)C2CC2)cc1N 75469803 573582383 /nfs/dbraw/zinc/58/23/83/573582383.db2.gz PGUMZTLPRCAIBC-UHFFFAOYSA-N 0 0 196.275 1.912 10 0 ADAERN COC(=O)c1cccn1-c1ccon1 259519814 573582405 /nfs/dbraw/zinc/58/24/05/573582405.db2.gz XFOIEDKNRZEORK-UHFFFAOYSA-N 0 0 192.174 1.252 10 0 ADAERN CCSCc1nsc(NC)n1 83646257 573582412 /nfs/dbraw/zinc/58/24/12/573582412.db2.gz CTIXNQPBCVSZGX-UHFFFAOYSA-N 0 0 189.309 1.833 10 0 ADAERN CCNc1nc(N2CCCC2)ns1 83646416 573582427 /nfs/dbraw/zinc/58/24/27/573582427.db2.gz PIRJTQJELFITSX-UHFFFAOYSA-N 0 0 198.295 1.570 10 0 ADAERN Cc1ccc2c(C=O)nn(C)c2c1 107407350 573582437 /nfs/dbraw/zinc/58/24/37/573582437.db2.gz QZVDWHMJBFUCHE-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN C[C@@H](Nc1ncns1)C1CC1 83653058 573582442 /nfs/dbraw/zinc/58/24/42/573582442.db2.gz NXOMLKAFUWUDKG-RXMQYKEDSA-N 0 0 169.253 1.749 10 0 ADAERN CNc1nc(C[C@@H]2CCCO2)ns1 83646093 573582468 /nfs/dbraw/zinc/58/24/68/573582468.db2.gz UVLVPWKMRAPEQX-LURJTMIESA-N 0 0 199.279 1.301 10 0 ADAERN Cc1ccn(-c2ncns2)n1 83676015 573583516 /nfs/dbraw/zinc/58/35/16/573583516.db2.gz CNKBMYSFMGDHGJ-UHFFFAOYSA-N 0 0 166.209 1.032 10 0 ADAERN CCC[C@@H]([NH3+])CC(C)(C)C(=O)[O-] 259115365 573582513 /nfs/dbraw/zinc/58/25/13/573582513.db2.gz BRVRNHQRMUAVCB-SSDOTTSWSA-N 0 0 173.256 1.615 10 0 ADAERN CNc1nc(N2CCCC2)ns1 83646197 573582527 /nfs/dbraw/zinc/58/25/27/573582527.db2.gz GEELNNXQXDTHKC-UHFFFAOYSA-N 0 0 184.268 1.180 10 0 ADAERN FC(F)(F)CNc1ncns1 83652303 573582540 /nfs/dbraw/zinc/58/25/40/573582540.db2.gz QJKCCPNPFRPBGS-UHFFFAOYSA-N 0 0 183.158 1.512 10 0 ADAERN COc1c(C(F)F)c(F)c[nH]c1=O 238440548 573582562 /nfs/dbraw/zinc/58/25/62/573582562.db2.gz RQPAMULUMRXIDY-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN C[C@@H]1C[C@@H](NCCC2CCC2)C(=O)O1 308639064 573582572 /nfs/dbraw/zinc/58/25/72/573582572.db2.gz DFHCEMKYHXSGIV-PSASIEDQSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1C[NH+]2CCC1CC2 86717572 573582579 /nfs/dbraw/zinc/58/25/79/573582579.db2.gz SBNKZBKKMSUKSU-IONNQARKSA-N 0 0 183.251 1.049 10 0 ADAERN C[C@H](O)c1cccc(C(C)(C)O)c1 238441027 573582585 /nfs/dbraw/zinc/58/25/85/573582585.db2.gz FJCMBINIICRZGV-QMMMGPOBSA-N 0 0 180.247 1.967 10 0 ADAERN COC(=N)c1ccc(F)cn1 86706904 573582593 /nfs/dbraw/zinc/58/25/93/573582593.db2.gz DDAQSRRFVGIJBU-UHFFFAOYSA-N 0 0 154.144 1.192 10 0 ADAERN CCCNc1nc(C)ns1 83646602 573582603 /nfs/dbraw/zinc/58/26/03/573582603.db2.gz MXHWHHKHWNNZCN-UHFFFAOYSA-N 0 0 157.242 1.668 10 0 ADAERN Cn1cc2c(n1)CC(C)(C)CC2=O 107409707 573582614 /nfs/dbraw/zinc/58/26/14/573582614.db2.gz YBMXLYXSNWDUPJ-UHFFFAOYSA-N 0 0 178.235 1.575 10 0 ADAERN OCCC1(C2CCCCC2)COC1 258804123 573582628 /nfs/dbraw/zinc/58/26/28/573582628.db2.gz NLINEQUMVLGVGS-UHFFFAOYSA-N 0 0 184.279 1.966 10 0 ADAERN CC(C)(O)c1cccc(CON)c1 259519358 573582651 /nfs/dbraw/zinc/58/26/51/573582651.db2.gz SMBTTZMVXPNRMV-UHFFFAOYSA-N 0 0 181.235 1.304 10 0 ADAERN NOCc1cc(F)cc2ccoc12 258066710 573582655 /nfs/dbraw/zinc/58/26/55/573582655.db2.gz TVMOGTKLVXYNIS-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN CSc1[nH]c(C(C)=O)cc1N 75469780 573582678 /nfs/dbraw/zinc/58/26/78/573582678.db2.gz AGOLBKQGNDWHLI-UHFFFAOYSA-N 0 0 170.237 1.521 10 0 ADAERN Cc1cc(CNOC2CCCC2)on1 308638203 573582681 /nfs/dbraw/zinc/58/26/81/573582681.db2.gz BTKDWNHDNJNRHG-UHFFFAOYSA-N 0 0 196.250 1.947 10 0 ADAERN O=C1CCC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1 198329554 573582739 /nfs/dbraw/zinc/58/27/39/573582739.db2.gz XJXQAAPFDMNNOS-BJPCUFFRSA-N 0 0 176.215 1.357 10 0 ADAERN COC(=O)C[C@@H]1CC[C@@H](C)O[C@H]1C 259516405 573582772 /nfs/dbraw/zinc/58/27/72/573582772.db2.gz CQSAFCUVYFQYOW-VGMNWLOBSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@H](C[C@H]([NH3+])c1cccs1)C(=O)[O-] 259516691 573582812 /nfs/dbraw/zinc/58/28/12/573582812.db2.gz VMVMHVPCAGWWJO-RQJHMYQMSA-N 0 0 199.275 1.859 10 0 ADAERN C[C@@H](CC(=O)[O-])C[C@@H]1CC[N@H+](C)C1 259114421 573582819 /nfs/dbraw/zinc/58/28/19/573582819.db2.gz LDROCIGBKBPBHB-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN CCN(CC)C(=O)[C@H]1CC[C@H](O)C1 308403181 573582832 /nfs/dbraw/zinc/58/28/32/573582832.db2.gz IEOUTWIKXAMMJR-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN O=C1NC[C@H](Cc2cccs2)O1 258066411 573582836 /nfs/dbraw/zinc/58/28/36/573582836.db2.gz AULLYMJKIIYURN-LURJTMIESA-N 0 0 183.232 1.399 10 0 ADAERN Cn1nc(C=O)c2ccc(F)cc21 107409371 573582919 /nfs/dbraw/zinc/58/29/19/573582919.db2.gz VMRVDNNITXJZEX-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Fc1ccc(-c2noc(Cl)n2)nc1 86706901 573582932 /nfs/dbraw/zinc/58/29/32/573582932.db2.gz VYIBRYWCAJQMRQ-UHFFFAOYSA-N 0 0 199.572 1.924 10 0 ADAERN OC/C=C/[C@@H](O)OCc1ccccc1 144464221 573582935 /nfs/dbraw/zinc/58/29/35/573582935.db2.gz KCUTYCNPLFHIHO-ZPMKCOPCSA-N 0 0 194.230 1.070 10 0 ADAERN CON(C)Cc1nc(C(C)C)no1 308402168 573582966 /nfs/dbraw/zinc/58/29/66/573582966.db2.gz HOLWXWHWSACEKD-UHFFFAOYSA-N 0 0 185.227 1.186 10 0 ADAERN C[C@@H](O)COc1cccnc1Cl 83676982 573583543 /nfs/dbraw/zinc/58/35/43/573583543.db2.gz DPWLFOXAWGTASS-ZCFIWIBFSA-N 0 0 187.626 1.495 10 0 ADAERN CC[C@H](C)c1nnc(CN(C)C)o1 308402748 573582980 /nfs/dbraw/zinc/58/29/80/573582980.db2.gz HWCGTUXUPXAQFB-ZETCQYMHSA-N 0 0 183.255 1.645 10 0 ADAERN COC(=O)C(C)(C)c1nc(C)c(C)[nH]1 258800399 573582985 /nfs/dbraw/zinc/58/29/85/573582985.db2.gz WTCYKXVKWHADQE-UHFFFAOYSA-N 0 0 196.250 1.477 10 0 ADAERN C[C@@H](O)C[C@H](O)C1CCCC1 144454109 573583038 /nfs/dbraw/zinc/58/30/38/573583038.db2.gz DLOJUWMSCWTFFJ-APPZFPTMSA-N 0 0 158.241 1.308 10 0 ADAERN CNc1cnnc(C(C)(C)C)n1 259116381 573583058 /nfs/dbraw/zinc/58/30/58/573583058.db2.gz IJSMMWYWPZARDD-UHFFFAOYSA-N 0 0 166.228 1.211 10 0 ADAERN COc1cc(C)c(SNN)cc1C 259114934 573583074 /nfs/dbraw/zinc/58/30/74/573583074.db2.gz BGWPNBBJZGDZSA-UHFFFAOYSA-N 0 0 198.291 1.782 10 0 ADAERN C[C@H](F)c1cnoc1 257833253 573583088 /nfs/dbraw/zinc/58/30/88/573583088.db2.gz KZCHXSMJNNESAN-BYPYZUCNSA-N 0 0 115.107 1.705 10 0 ADAERN COC(=O)c1cc(-c2cnco2)no1 259520518 573583097 /nfs/dbraw/zinc/58/30/97/573583097.db2.gz SHSUSTFLAPKOGS-UHFFFAOYSA-N 0 0 194.146 1.116 10 0 ADAERN COC(=O)C=CNC[C@@H]1CC[C@@H](C)C1 308403695 573583098 /nfs/dbraw/zinc/58/30/98/573583098.db2.gz GGEGNBRNLXRFJS-KWMOZEJZSA-N 0 0 197.278 1.699 10 0 ADAERN O=Cc1nc(-c2ccc(F)cn2)no1 86708185 573583137 /nfs/dbraw/zinc/58/31/37/573583137.db2.gz BVTIZNJPHYJFPE-UHFFFAOYSA-N 0 0 193.137 1.083 10 0 ADAERN C/C(C(=O)[O-])=C1/CC[N@@H+](C2CC2)C1 86716848 573583154 /nfs/dbraw/zinc/58/31/54/573583154.db2.gz ZYSAOQIPMSUHAJ-BQYQJAHWSA-N 0 0 181.235 1.256 10 0 ADAERN C[C@H](O)COc1ccc(N)cc1F 83676063 573583155 /nfs/dbraw/zinc/58/31/55/573583155.db2.gz RQGMHTREPHULLB-LURJTMIESA-N 0 0 185.198 1.168 10 0 ADAERN COC(=O)c1cccc2cc(C)nn12 259519373 573583172 /nfs/dbraw/zinc/58/31/72/573583172.db2.gz CXTQLKNGHORJTC-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CC[C@@](C)(CO)Nc1ncns1 83669374 573583174 /nfs/dbraw/zinc/58/31/74/573583174.db2.gz LLXVUCMKWUPJEC-ZETCQYMHSA-N 0 0 187.268 1.111 10 0 ADAERN COC(=O)NCC(C)(C)c1cc[nH]c1 258807717 573583186 /nfs/dbraw/zinc/58/31/86/573583186.db2.gz POCBWZYZAAQKQD-UHFFFAOYSA-N 0 0 196.250 1.648 10 0 ADAERN CCC[NH+]1CCC(=C(C)C(=O)[O-])CC1 86716662 573583199 /nfs/dbraw/zinc/58/31/99/573583199.db2.gz VIPXWLVRQHXPMP-UHFFFAOYSA-N 0 0 197.278 1.893 10 0 ADAERN C[C@H]1CC[C@H](CO)[C@@H](C)O1 238442890 573583205 /nfs/dbraw/zinc/58/32/05/573583205.db2.gz ZWKMHVMVVGIAEH-XLPZGREQSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@@H]1[C@@H](C)[C@H]1C(=O)OC 259518271 573583232 /nfs/dbraw/zinc/58/32/32/573583232.db2.gz CVKWZSJXSXRTAE-FSDSQADBSA-N 0 0 142.198 1.452 10 0 ADAERN CCC[C@@H](C)C1(C(=O)[O-])CC[NH2+]CC1 308403648 573583250 /nfs/dbraw/zinc/58/32/50/573583250.db2.gz FVJJRYNFVQQINS-SECBINFHSA-N 0 0 199.294 1.877 10 0 ADAERN O=C(N1CCCCCC1)C1(CO)CC1 258798973 573583260 /nfs/dbraw/zinc/58/32/60/573583260.db2.gz SHVYZSJXMMHXOQ-UHFFFAOYSA-N 0 0 197.278 1.162 10 0 ADAERN CC[C@H]1C[C@]1(C(N)=O)c1ccccc1 144454669 573583264 /nfs/dbraw/zinc/58/32/64/573583264.db2.gz LTEAKDJUTUVOOF-JOYOIKCWSA-N 0 0 189.258 1.840 10 0 ADAERN C[C@H](O)COc1cc(F)ccc1N 83676029 573583288 /nfs/dbraw/zinc/58/32/88/573583288.db2.gz ZNDHNVKHXCBMSF-LURJTMIESA-N 0 0 185.198 1.168 10 0 ADAERN CC(=O)O[C@@H]1NCCc2ccccc21 144438772 573583295 /nfs/dbraw/zinc/58/32/95/573583295.db2.gz IXVJZXXJZLQCEW-NSHDSACASA-N 0 0 191.230 1.394 10 0 ADAERN O=C1C[C@H](C/C=C\c2ccccc2)N1 308403536 573583302 /nfs/dbraw/zinc/58/33/02/573583302.db2.gz ZBFBVXGJBMDKKQ-IBHLPDHGSA-N 0 0 187.242 1.978 10 0 ADAERN Cc1cccc2c1c(C=O)nn2C 107407353 573583348 /nfs/dbraw/zinc/58/33/48/573583348.db2.gz LGRPIFOJNSRZDO-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN CCN(CC)C(=O)[C@@H]1CC[C@H](O)C1 308403179 573583564 /nfs/dbraw/zinc/58/35/64/573583564.db2.gz IEOUTWIKXAMMJR-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1cc(C)c(OC[C@@H](C)O)c(N)c1 83676118 573583389 /nfs/dbraw/zinc/58/33/89/573583389.db2.gz AWJDCJVAWIUHMR-SECBINFHSA-N 0 0 195.262 1.645 10 0 ADAERN COC1(c2ccccc2CO)CC1 259519275 573583414 /nfs/dbraw/zinc/58/34/14/573583414.db2.gz SJZSDKBYZXLNAO-UHFFFAOYSA-N 0 0 178.231 1.814 10 0 ADAERN C[C@H]1CC[C@H](CO)CCCC1=O 238442353 573583417 /nfs/dbraw/zinc/58/34/17/573583417.db2.gz MSJCVSPMTZJBHO-DTWKUNHWSA-N 0 0 170.252 1.764 10 0 ADAERN Oc1cccc([C@@H]2C[C@@H]2O)c1 259115163 573583418 /nfs/dbraw/zinc/58/34/18/573583418.db2.gz FMEFMTWUNAUPPJ-IUCAKERBSA-N 0 0 150.177 1.240 10 0 ADAERN OC1(CNc2ncns2)CCCC1 83669700 573584548 /nfs/dbraw/zinc/58/45/48/573584548.db2.gz OYKFQKKGJMDRJJ-UHFFFAOYSA-N 0 0 199.279 1.255 10 0 ADAERN OCC[C@@H]1Cc2c(O)cccc2S1 258066101 573585064 /nfs/dbraw/zinc/58/50/64/573585064.db2.gz GNHFNLLWQRUVOZ-SSDOTTSWSA-N 0 0 196.271 1.791 10 0 ADAERN O=Cc1oncc1C1CCC1 257833339 573585080 /nfs/dbraw/zinc/58/50/80/573585080.db2.gz LBFGPYBADYGSEM-UHFFFAOYSA-N 0 0 151.165 1.755 10 0 ADAERN CC(=O)c1n[nH]c2cc(F)ccc12 107409354 573585100 /nfs/dbraw/zinc/58/51/00/573585100.db2.gz IJUIGATXSMVRHV-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN C[C@@H]1CC[C@@H](CCCO)C1=O 238442491 573585102 /nfs/dbraw/zinc/58/51/02/573585102.db2.gz NXIDBFANCVGKMD-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN CNC(=O)c1[nH]c(C(C)(C)C)cc1N 144435668 573584624 /nfs/dbraw/zinc/58/46/24/573584624.db2.gz KTSXWLMNJGBQGN-UHFFFAOYSA-N 0 0 195.266 1.254 10 0 ADAERN C[C@@H]1CC[C@@H](CCO)CC1=O 238442568 573585135 /nfs/dbraw/zinc/58/51/35/573585135.db2.gz GEGZJCCYPUZEPS-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])c1cccs1)C(=O)[O-] 259516685 573585139 /nfs/dbraw/zinc/58/51/39/573585139.db2.gz VMVMHVPCAGWWJO-NKWVEPMBSA-N 0 0 199.275 1.859 10 0 ADAERN CC(C)[C@@H](O)CCNc1cccnn1 308638487 573584447 /nfs/dbraw/zinc/58/44/47/573584447.db2.gz DDEVUQRKMNDYDP-VIFPVBQESA-N 0 0 195.266 1.296 10 0 ADAERN c1cnnc([C@H]2CCSC2)c1 259520134 573584451 /nfs/dbraw/zinc/58/44/51/573584451.db2.gz SSFMUXSMQHZYMB-ZETCQYMHSA-N 0 0 166.249 1.697 10 0 ADAERN CC(C(=O)[O-])=C1CC[NH+](C(C)C)CC1 86716777 573585142 /nfs/dbraw/zinc/58/51/42/573585142.db2.gz MRAADSFIOXLJOJ-UHFFFAOYSA-N 0 0 197.278 1.892 10 0 ADAERN CCOC(=O)NCC1=CCCOC1 308402753 573584476 /nfs/dbraw/zinc/58/44/76/573584476.db2.gz HWGOMZYAIFNQAP-UHFFFAOYSA-N 0 0 185.223 1.079 10 0 ADAERN c1nsc(NC[C@@H]2CCCCO2)n1 83654733 573584502 /nfs/dbraw/zinc/58/45/02/573584502.db2.gz WVSNFSASTNMHFC-ZETCQYMHSA-N 0 0 199.279 1.519 10 0 ADAERN COc1cc(N)ccc1OC[C@H](C)O 83676125 573584519 /nfs/dbraw/zinc/58/45/19/573584519.db2.gz FYHXWZKAXFUIFB-ZETCQYMHSA-N 0 0 197.234 1.037 10 0 ADAERN CCCC1([C@@H](CC)CO)COC1 258797043 573584537 /nfs/dbraw/zinc/58/45/37/573584537.db2.gz WMBVLIZDWSMQBA-VIFPVBQESA-N 0 0 172.268 1.822 10 0 ADAERN Oc1cccc([C@H]2C[C@@H]2O)c1 259115111 573584544 /nfs/dbraw/zinc/58/45/44/573584544.db2.gz FMEFMTWUNAUPPJ-BDAKNGLRSA-N 0 0 150.177 1.240 10 0 ADAERN c1nsc(N[C@@H]2CCCOC2)n1 83668890 573584600 /nfs/dbraw/zinc/58/46/00/573584600.db2.gz KFNWXPSCIUMQEP-ZCFIWIBFSA-N 0 0 185.252 1.129 10 0 ADAERN C[C@H](O)c1ccccc1CNO 259519456 573584604 /nfs/dbraw/zinc/58/46/04/573584604.db2.gz SOCYGKSKNLNDBD-ZETCQYMHSA-N 0 0 167.208 1.219 10 0 ADAERN CC1=C[C@H](C)[C@H](O)[C@@](C)(O)C1 238441829 573584608 /nfs/dbraw/zinc/58/46/08/573584608.db2.gz LMHHTBPPFYCAEK-CIUDSAMLSA-N 0 0 156.225 1.084 10 0 ADAERN CCCc1cc(NC2CC2)nn1C 259116393 573584640 /nfs/dbraw/zinc/58/46/40/573584640.db2.gz IJVVRUKDZKOINO-UHFFFAOYSA-N 0 0 179.267 1.947 10 0 ADAERN FC1(CNCc2cc[nH]n2)CCC1 308402488 573584682 /nfs/dbraw/zinc/58/46/82/573584682.db2.gz JLOQPDQXTNDIKS-UHFFFAOYSA-N 0 0 183.230 1.392 10 0 ADAERN Cc1cc(OC[C@@H](C)O)c(C)cc1N 83676137 573584683 /nfs/dbraw/zinc/58/46/83/573584683.db2.gz KEIFIHUQSQDLRZ-SECBINFHSA-N 0 0 195.262 1.645 10 0 ADAERN CC(=O)[C@]1(C)C[C@@H](C)N=N1 238442442 573584687 /nfs/dbraw/zinc/58/46/87/573584687.db2.gz ABEQRBNVZIAMRK-VDTYLAMSSA-N 0 0 140.186 1.579 10 0 ADAERN Cc1cc(C)c(OC[C@H](C)O)c(N)c1 83676120 573584693 /nfs/dbraw/zinc/58/46/93/573584693.db2.gz AWJDCJVAWIUHMR-VIFPVBQESA-N 0 0 195.262 1.645 10 0 ADAERN O=C1C[C@@H](C/C=C\c2ccccc2)N1 308403537 573584726 /nfs/dbraw/zinc/58/47/26/573584726.db2.gz ZBFBVXGJBMDKKQ-MEQVVJDKSA-N 0 0 187.242 1.978 10 0 ADAERN CN[C@@H](C)C(=O)O[C@@H]1CCC[C@H](C)C1 308639446 573584739 /nfs/dbraw/zinc/58/47/39/573584739.db2.gz CHXCHMNNRBMZBX-LPEHRKFASA-N 0 0 199.294 1.716 10 0 ADAERN CSCCCNc1ncns1 83669041 573584741 /nfs/dbraw/zinc/58/47/41/573584741.db2.gz RBMNSJBJOCOWBH-UHFFFAOYSA-N 0 0 189.309 1.703 10 0 ADAERN CCCCCNC(=O)C1=CCCO1 308402847 573584761 /nfs/dbraw/zinc/58/47/61/573584761.db2.gz HZBQVKHWEGVQAY-UHFFFAOYSA-N 0 0 183.251 1.597 10 0 ADAERN O=C([O-])/C(F)=C1/CC[N@@H+](C2CC2)C1 86717238 573584762 /nfs/dbraw/zinc/58/47/62/573584762.db2.gz RHAMJXMIUUOXMG-SOFGYWHQSA-N 0 0 185.198 1.163 10 0 ADAERN O=C1N[C@H](C[C@H]2CCCS2)CO1 258066479 573584763 /nfs/dbraw/zinc/58/47/63/573584763.db2.gz AUPJJCZIGUWNHK-RNFRBKRXSA-N 0 0 187.264 1.381 10 0 ADAERN Cc1ccc([C@@H](C)O)c(O)c1F 258066714 573584775 /nfs/dbraw/zinc/58/47/75/573584775.db2.gz TVNNTSFSPTZKSH-ZCFIWIBFSA-N 0 0 170.183 1.893 10 0 ADAERN CC[C@@H](C(N)=O)c1cccs1 144471795 573584827 /nfs/dbraw/zinc/58/48/27/573584827.db2.gz XEBKZUSHXDWDHY-ZCFIWIBFSA-N 0 0 169.249 1.727 10 0 ADAERN CC[NH2+]Cc1cnc(N(C)CC)nc1 126620648 573584837 /nfs/dbraw/zinc/58/48/37/573584837.db2.gz ZOFZGMLMXJSREU-UHFFFAOYSA-N 0 0 194.282 1.042 10 0 ADAERN CC(=O)O[C@H]1NCCc2ccccc21 144438970 573584839 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/nfs/dbraw/zinc/58/66/08/573586608.db2.gz PELUULLBKURYCG-UHFFFAOYSA-N 0 0 139.202 1.419 10 0 ADAERN C[C@@H](O)CN1CCc2cc(N)ccc21 83676987 573586655 /nfs/dbraw/zinc/58/66/55/573586655.db2.gz WMFWSMYAYQMVKT-MRVPVSSYSA-N 0 0 192.262 1.012 10 0 ADAERN C[C@@H]1[C@@H](N)C1(Cl)Cl 238441794 573586680 /nfs/dbraw/zinc/58/66/80/573586680.db2.gz RCRHNDXIACKPCI-PWNYCUMCSA-N 0 0 140.013 1.137 10 0 ADAERN Cc1nc([C@@H](CO)C(C)C)[nH]c1C 258806214 573586695 /nfs/dbraw/zinc/58/66/95/573586695.db2.gz XKEPBEBLYBHSNJ-VIFPVBQESA-N 0 0 182.267 1.758 10 0 ADAERN CCC(CC)O/C=C/CO 198336579 573586699 /nfs/dbraw/zinc/58/66/99/573586699.db2.gz FUHVWPKYTILFMS-FNORWQNLSA-N 0 0 144.214 1.698 10 0 ADAERN CC(C)C[N@H+](C)C[C@@H](C)CC(=O)[O-] 258799803 573586709 /nfs/dbraw/zinc/58/67/09/573586709.db2.gz DFLRMTVZZXGLOA-VIFPVBQESA-N 0 0 187.283 1.685 10 0 ADAERN CC[C@H]1C[C@@]1(C(N)=O)c1ccccc1 144454308 573586714 /nfs/dbraw/zinc/58/67/14/573586714.db2.gz LTEAKDJUTUVOOF-CABZTGNLSA-N 0 0 189.258 1.840 10 0 ADAERN 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10 0 ADAERN Fc1cc(Cl)cnc1-n1cncn1 86711530 573586951 /nfs/dbraw/zinc/58/69/51/573586951.db2.gz SPRMDLGCRLQYKX-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncns1 83668504 573586993 /nfs/dbraw/zinc/58/69/93/573586993.db2.gz YFCULJBFDBJSSK-CRCLSJGQSA-N 0 0 155.226 1.358 10 0 ADAERN C[C@@H]1C[N@@H+](C)CC[C@@H]1[C@@H](C)C(=O)[O-] 107417753 573587027 /nfs/dbraw/zinc/58/70/27/573587027.db2.gz DCMOWBGRHQIFJV-HLTSFMKQSA-N 0 0 185.267 1.295 10 0 ADAERN Cc1cc(C)c(C2(O)COC2)c(C)c1 258806021 573587004 /nfs/dbraw/zinc/58/70/04/573587004.db2.gz XFAOZOXAQCRSIT-UHFFFAOYSA-N 0 0 192.258 1.830 10 0 ADAERN Cc1cc(N)ncc1-c1cnccn1 86716474 573587013 /nfs/dbraw/zinc/58/70/13/573587013.db2.gz IEOWVILYZUGYSV-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(C)c1ccc([C@@H](N)NN)cc1 259519619 573587102 /nfs/dbraw/zinc/58/71/02/573587102.db2.gz SDABVWUSOJAVIH-JTQLQIEISA-N 0 0 179.267 1.231 10 0 ADAERN CC1(C)C[C@H]1Nc1ncns1 83668211 573588202 /nfs/dbraw/zinc/58/82/02/573588202.db2.gz GHIGJDVLHHFSTL-RXMQYKEDSA-N 0 0 169.253 1.749 10 0 ADAERN C[C@H]1C=CC(C)(C)C[C@H]1O 238443030 573588203 /nfs/dbraw/zinc/58/82/03/573588203.db2.gz GQOMLCQARJJHNJ-JGVFFNPUSA-N 0 0 140.226 1.970 10 0 ADAERN C[C@H](O)CN1CCc2c(N)cccc21 83677070 573588143 /nfs/dbraw/zinc/58/81/43/573588143.db2.gz SSVHCNWAKUTNBR-QMMMGPOBSA-N 0 0 192.262 1.012 10 0 ADAERN CCCC[N@H+](C)[C@@H]1C[C@@H]1C(=O)[O-] 259116996 573588156 /nfs/dbraw/zinc/58/81/56/573588156.db2.gz BMNFRFNJROFNOX-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H](O)[C@@]1(O)CCCc2ccccc21 238442996 573588158 /nfs/dbraw/zinc/58/81/58/573588158.db2.gz CBGLKDIKEJSEEA-SKDRFNHKSA-N 0 0 192.258 1.591 10 0 ADAERN C[C@H]1Oc2ccc(N)cc2NC1=N 75489794 573588120 /nfs/dbraw/zinc/58/81/20/573588120.db2.gz QZXLKDQUIQUKHC-RXMQYKEDSA-N 0 0 177.207 1.038 10 0 ADAERN CN1CCN(c2ccccc2F)C1=O 259117387 573588564 /nfs/dbraw/zinc/58/85/64/573588564.db2.gz BUXVEWLZXNWTSN-UHFFFAOYSA-N 0 0 194.209 1.698 10 0 ADAERN OC1(c2c[nH]c3ccccc23)COC1 258803462 573588319 /nfs/dbraw/zinc/58/83/19/573588319.db2.gz XBLZDJVEQZTLNM-UHFFFAOYSA-N 0 0 189.214 1.386 10 0 ADAERN CSc1cc[nH]c1C(C)=O 75483197 573588335 /nfs/dbraw/zinc/58/83/35/573588335.db2.gz JMRXBHIYFWOXCE-UHFFFAOYSA-N 0 0 155.222 1.939 10 0 ADAERN Cc1ccc(N)cc1OC[C@H](C)O 83676085 573588348 /nfs/dbraw/zinc/58/83/48/573588348.db2.gz UNZBZIXYPIMMHT-QMMMGPOBSA-N 0 0 181.235 1.337 10 0 ADAERN c1coc(CCNc2ncns2)c1 83653757 573588383 /nfs/dbraw/zinc/58/83/83/573588383.db2.gz MRFYAPFJTRCCFA-UHFFFAOYSA-N 0 0 195.247 1.786 10 0 ADAERN CC/C(=C\C[NH2+][C@@H]1C[C@H]1CC)C(=O)[O-] 308631629 573588417 /nfs/dbraw/zinc/58/84/17/573588417.db2.gz VFIXHBGYHCDZJR-STFJZOTBSA-N 0 0 197.278 1.796 10 0 ADAERN C[C@H](O)c1ccccc1[C@H](C)CO 238443716 573588435 /nfs/dbraw/zinc/58/84/35/573588435.db2.gz FUVQMQZBFBNGPD-BDAKNGLRSA-N 0 0 180.247 1.836 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)[C@@H](C)C2 86722080 573588444 /nfs/dbraw/zinc/58/84/44/573588444.db2.gz NXYUYZLJPPVJRY-CPCISQLKSA-N 0 0 178.231 1.921 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncns1 83668500 573588448 /nfs/dbraw/zinc/58/84/48/573588448.db2.gz YFCULJBFDBJSSK-WHFBIAKZSA-N 0 0 155.226 1.358 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CC[N@@H+]2CCC[C@H]12 107415791 573588456 /nfs/dbraw/zinc/58/84/56/573588456.db2.gz NOYVDDVZKUMZBG-XHNCKOQMSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H](O)COc1ccc(N)cc1F 83676065 573588457 /nfs/dbraw/zinc/58/84/57/573588457.db2.gz RQGMHTREPHULLB-ZCFIWIBFSA-N 0 0 185.198 1.168 10 0 ADAERN O=C([O-])/C=C\C[NH2+]CCC1=CCCC1 308631595 573588724 /nfs/dbraw/zinc/58/87/24/573588724.db2.gz UYVMVBLJCOPXCP-UTCJRWHESA-N 0 0 195.262 1.717 10 0 ADAERN O=C([O-])C/C=C\[C@@H]1CCC[NH2+]C1 258063906 573588499 /nfs/dbraw/zinc/58/84/99/573588499.db2.gz DYFXIWZZTCQRPE-XKKRXVNHSA-N 0 0 169.224 1.017 10 0 ADAERN CC(C)(O)c1ccc2[nH]c(=O)oc2c1 259117830 573588726 /nfs/dbraw/zinc/58/87/26/573588726.db2.gz GDZLAXGFUOQBCG-UHFFFAOYSA-N 0 0 193.202 1.349 10 0 ADAERN Cc1ccc(CON)c(O)c1C 258066771 573588520 /nfs/dbraw/zinc/58/85/20/573588520.db2.gz TWWFCZGJTIUOLS-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN CC(C)[C@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 107417735 573588543 /nfs/dbraw/zinc/58/85/43/573588543.db2.gz OJEKQIRALOHSLB-WPRPVWTQSA-N 0 0 185.267 1.615 10 0 ADAERN CSc1c(N)cn(C)c1C 75486580 573588544 /nfs/dbraw/zinc/58/85/44/573588544.db2.gz JNJWAYKLCMJNAC-UHFFFAOYSA-N 0 0 156.254 1.638 10 0 ADAERN CCN1CCCC[C@H]1c1noc(N)n1 258063502 573588576 /nfs/dbraw/zinc/58/85/76/573588576.db2.gz PVMACTRIVPBIFE-ZETCQYMHSA-N 0 0 196.254 1.199 10 0 ADAERN CCCOC[C@H](O)C=C(C)C 233230343 573588590 /nfs/dbraw/zinc/58/85/90/573588590.db2.gz CCBPBFNFFJSHMZ-SECBINFHSA-N 0 0 158.241 1.740 10 0 ADAERN CN=C1Nc2cc(N)ccc2O[C@@H]1C 75486084 573588626 /nfs/dbraw/zinc/58/86/26/573588626.db2.gz WHEQZFNAJSTPAR-ZCFIWIBFSA-N 0 0 191.234 1.299 10 0 ADAERN C[C@@H](O)[C@H](C)C=C1CC1 238443714 573588655 /nfs/dbraw/zinc/58/86/55/573588655.db2.gz SQVYRYFFQRMYBK-RNFRBKRXSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@@H]1CCCC(=O)[C@@H](O)C1 238443719 573588669 /nfs/dbraw/zinc/58/86/69/573588669.db2.gz YLSSSHXSAMASMR-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN CC1(C)C[N@@H+](C2CC2)CC[C@@H]1C(=O)[O-] 259134337 573588673 /nfs/dbraw/zinc/58/86/73/573588673.db2.gz DCEMFSHDGUXXGT-SECBINFHSA-N 0 0 197.278 1.582 10 0 ADAERN COc1cc(=O)[nH]c2c(O)cccc12 238443700 573588685 /nfs/dbraw/zinc/58/86/85/573588685.db2.gz DYUIRWMEYJJRBA-UHFFFAOYSA-N 0 0 191.186 1.242 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)N2C)o1 259117481 573589893 /nfs/dbraw/zinc/58/98/93/573589893.db2.gz RMBGVVYZGBJRAG-SSDOTTSWSA-N 0 0 180.207 1.284 10 0 ADAERN CC(=O)[C@H](O)[C@H]1CCC=C[C@@H]1C 238443723 573589901 /nfs/dbraw/zinc/58/99/01/573589901.db2.gz PXTMKHUZEAYMFY-HGNGGELXSA-N 0 0 168.236 1.539 10 0 ADAERN C[C@H]1[C@@H](CC(=O)[O-])CC[N@@H+]1C1CC1 238443447 573589422 /nfs/dbraw/zinc/58/94/22/573589422.db2.gz CHJWWWTUZIXJQS-JGVFFNPUSA-N 0 0 183.251 1.334 10 0 ADAERN Cc1cccc2c1C[C@H](CON)S2 258063519 573589424 /nfs/dbraw/zinc/58/94/24/573589424.db2.gz GMAPJKFSNBLIDD-MRVPVSSYSA-N 0 0 195.287 1.902 10 0 ADAERN CSC[C@@H]1CCC(F)(F)CN1 257833606 573589425 /nfs/dbraw/zinc/58/94/25/573589425.db2.gz KJFHCKMFBJGWGX-LURJTMIESA-N 0 0 181.251 1.737 10 0 ADAERN C[C@@H]1COc2c(CON)cccc21 258063996 573589433 /nfs/dbraw/zinc/58/94/33/573589433.db2.gz LZALGLIFWZAADR-SSDOTTSWSA-N 0 0 179.219 1.573 10 0 ADAERN CC(C)Cc1[nH+]cc2n1C[C@@H](O)CC2 258064019 573589464 /nfs/dbraw/zinc/58/94/64/573589464.db2.gz DFMQFJAXLJMWIC-JTQLQIEISA-N 0 0 194.278 1.389 10 0 ADAERN CC1(C)CCC(=O)N(CCCO)CC1 83681487 573589504 /nfs/dbraw/zinc/58/95/04/573589504.db2.gz KALYPJRYIBYCAY-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN C[C@H](O)CN1CCC(C)(C)CCC1=O 83681489 573589515 /nfs/dbraw/zinc/58/95/15/573589515.db2.gz TYRDTJKMQJDTGM-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN Cc1ccc(C)c(OCCO)c1O 238454942 573589529 /nfs/dbraw/zinc/58/95/29/573589529.db2.gz LBNCNCVEESRFHH-UHFFFAOYSA-N 0 0 182.219 1.380 10 0 ADAERN CCOC(=O)c1onc(C(C)C)c1N 259521844 573589546 /nfs/dbraw/zinc/58/95/46/573589546.db2.gz XJXREEGMPAYPNM-UHFFFAOYSA-N 0 0 198.222 1.557 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]2COC[C@@H]21 238443585 573589549 /nfs/dbraw/zinc/58/95/49/573589549.db2.gz QOSCFWVHGOSMGJ-XLPZGREQSA-N 0 0 154.209 1.248 10 0 ADAERN C[C@H]1C[C@H](O)CC(C)(C)N1N=O 238443462 573589557 /nfs/dbraw/zinc/58/95/57/573589557.db2.gz AYMMJXBZBMPSAY-BQBZGAKWSA-N 0 0 172.228 1.292 10 0 ADAERN CC(=O)c1ccc(C2(CO)CC2)cc1 257833732 573589558 /nfs/dbraw/zinc/58/95/58/573589558.db2.gz KDMXBRFOSKYVAF-UHFFFAOYSA-N 0 0 190.242 1.913 10 0 ADAERN C1CCC(CCNc2nnns2)C1 258811831 573589582 /nfs/dbraw/zinc/58/95/82/573589582.db2.gz CNRWJYGEXGGFOT-UHFFFAOYSA-N 0 0 198.295 1.925 10 0 ADAERN C[C@H]1C[C@H](O)CC(C)(C)O1 238443477 573589585 /nfs/dbraw/zinc/58/95/85/573589585.db2.gz YZGRGGXYDLIMDW-BQBZGAKWSA-N 0 0 144.214 1.325 10 0 ADAERN c1cnnc([C@@H]2CCCCO2)c1 259521350 573589587 /nfs/dbraw/zinc/58/95/87/573589587.db2.gz SQERVDZBTPBCNU-VIFPVBQESA-N 0 0 164.208 1.718 10 0 ADAERN COc1cccc2c1C[C@H](C)[C@H]2O 86721694 573589606 /nfs/dbraw/zinc/58/96/06/573589606.db2.gz OXLPBZQEHCCPMV-WRWORJQWSA-N 0 0 178.231 1.921 10 0 ADAERN CN=C1Nc2cc(N)ccc2O[C@H]1C 75486088 573589607 /nfs/dbraw/zinc/58/96/07/573589607.db2.gz WHEQZFNAJSTPAR-LURJTMIESA-N 0 0 191.234 1.299 10 0 ADAERN CC(C)[C@@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 107417734 573589608 /nfs/dbraw/zinc/58/96/08/573589608.db2.gz OJEKQIRALOHSLB-SCZZXKLOSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1cnc([C@H](O)CCCCF)nc1 308631483 573589612 /nfs/dbraw/zinc/58/96/12/573589612.db2.gz ZCLWSJKDYVOLEH-SECBINFHSA-N 0 0 198.241 1.958 10 0 ADAERN Cn1cc(N)cc1C(=O)C(F)(F)F 75479025 573589625 /nfs/dbraw/zinc/58/96/25/573589625.db2.gz UDDFTGGXVGRBJH-UHFFFAOYSA-N 0 0 192.140 1.352 10 0 ADAERN CC(C)[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 107417729 573589647 /nfs/dbraw/zinc/58/96/47/573589647.db2.gz OJEKQIRALOHSLB-PSASIEDQSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1ccc(N2N[C@@H](C)CC2=O)cc1 60157798 573589710 /nfs/dbraw/zinc/58/97/10/573589710.db2.gz DXDAGBMONVPBPP-VIFPVBQESA-N 0 0 190.246 1.625 10 0 ADAERN C[C@H]1[C@@H](CC(=O)[O-])CCCC[N@@H+]1C 238443401 573589686 /nfs/dbraw/zinc/58/96/86/573589686.db2.gz FPULSPFTGZCTNP-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CSc1cc[nH]c1C=O 75483281 573589692 /nfs/dbraw/zinc/58/96/92/573589692.db2.gz GTOJHTXHZTVDMQ-UHFFFAOYSA-N 0 0 141.195 1.549 10 0 ADAERN C[C@H]1C=CCC[C@@H]1CC(N)=O 238443636 573589694 /nfs/dbraw/zinc/58/96/94/573589694.db2.gz CTPAOPPYSMSGLE-JGVFFNPUSA-N 0 0 153.225 1.464 10 0 ADAERN C[C@@H]1C[C@@](C)(O)CCC[C@@H]1O 238442969 573589701 /nfs/dbraw/zinc/58/97/01/573589701.db2.gz PSKKAVMFQDASJT-VGMNWLOBSA-N 0 0 158.241 1.308 10 0 ADAERN CC(=O)C(F)(F)C[C@H]1CCCO1 257833591 573589729 /nfs/dbraw/zinc/58/97/29/573589729.db2.gz KIIHXITYOWMSEO-SSDOTTSWSA-N 0 0 178.178 1.780 10 0 ADAERN Cn1cc(N)cc1C(=O)C1CCCC1 75479040 573589730 /nfs/dbraw/zinc/58/97/30/573589730.db2.gz ZDPWMMDCVAQKKW-UHFFFAOYSA-N 0 0 192.262 1.980 10 0 ADAERN CC(=O)c1noc(CC(C)(C)C)n1 258063525 573589751 /nfs/dbraw/zinc/58/97/51/573589751.db2.gz PVNHTITVJOHDSQ-UHFFFAOYSA-N 0 0 182.223 1.861 10 0 ADAERN O[C@@H](c1ccccn1)[C@H]1CCCOC1 224958060 573589754 /nfs/dbraw/zinc/58/97/54/573589754.db2.gz SXKPBPMXINHQQL-GXSJLCMTSA-N 0 0 193.246 1.542 10 0 ADAERN CC(C)[N@@H+]1C[C@@H](C(=O)[O-])CC1(C)C 259520989 573589755 /nfs/dbraw/zinc/58/97/55/573589755.db2.gz VHCVEVHZSVCGPW-QMMMGPOBSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@H](CC[NH2+]CC1CCC1)C(=O)[O-] 258808674 573589756 /nfs/dbraw/zinc/58/97/56/573589756.db2.gz FBMLEPHGCWCBBQ-MRVPVSSYSA-N 0 0 185.267 1.487 10 0 ADAERN CSC[C@H]1CCC(F)(F)CN1 257833607 573589761 /nfs/dbraw/zinc/58/97/61/573589761.db2.gz KJFHCKMFBJGWGX-ZCFIWIBFSA-N 0 0 181.251 1.737 10 0 ADAERN C[NH+](C)[C@@H]1CCC[C@H]1CCC(=O)[O-] 82392698 573589777 /nfs/dbraw/zinc/58/97/77/573589777.db2.gz BAYDTAOGYBNLCE-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN O=C([O-])CCN1CCC[C@@H]1C(F)F 393538838 573589781 /nfs/dbraw/zinc/58/97/81/573589781.db2.gz ONYQRTMSXCXMMR-ZCFIWIBFSA-N 0 0 193.193 1.191 10 0 ADAERN COc1ccc2c(c1)[C@H](O)[C@H](C)C2 86722070 573589810 /nfs/dbraw/zinc/58/98/10/573589810.db2.gz NXYUYZLJPPVJRY-RDDDGLTNSA-N 0 0 178.231 1.921 10 0 ADAERN C[C@]1(CO)CCCn2cccc21 238454921 573589847 /nfs/dbraw/zinc/58/98/47/573589847.db2.gz IFHMQLBNYCINKH-SNVBAGLBSA-N 0 0 165.236 1.532 10 0 ADAERN CC(C)CCCCN1CCC(=O)C1=O 147561610 573589855 /nfs/dbraw/zinc/58/98/55/573589855.db2.gz ZKXJCWXQJPOFCA-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CC1=C[C@]2(C)CCC(=O)[C@@]1(C)O2 224380102 573589940 /nfs/dbraw/zinc/58/99/40/573589940.db2.gz JYZBMHHZLXEDJK-UWVGGRQHSA-N 0 0 166.220 1.843 10 0 ADAERN O=Cc1ccc2c(c1F)OCCCO2 257833753 573589992 /nfs/dbraw/zinc/58/99/92/573589992.db2.gz KECJPBKQSQFBDD-UHFFFAOYSA-N 0 0 196.177 1.800 10 0 ADAERN C[C@@]12CCOC[C@@H]1C(=O)CC2 238443615 573590004 /nfs/dbraw/zinc/59/00/04/573590004.db2.gz YBKWXYOPUIRQBG-VXNVDRBHSA-N 0 0 154.209 1.392 10 0 ADAERN C[C@@H]1C[C@H](O)C[C@@H]2CC(=O)C[C@H]12 238454985 573590013 /nfs/dbraw/zinc/59/00/13/573590013.db2.gz LMTGXYBMKWBEPO-BDNRQGISSA-N 0 0 168.236 1.373 10 0 ADAERN COCCCN1CC(C(F)(F)F)C1 308404582 573590027 /nfs/dbraw/zinc/59/00/27/573590027.db2.gz IZJQHAPRVHDYSU-UHFFFAOYSA-N 0 0 197.200 1.517 10 0 ADAERN CCCn1cc([C@](C)(F)[C@H](C)[NH3+])cn1 308640929 573590049 /nfs/dbraw/zinc/59/00/49/573590049.db2.gz CZRKITFKDHZXCB-WCBMZHEXSA-N 0 0 199.273 1.825 10 0 ADAERN C[C@@H]1C(=O)C[C@H]2[C@@H]1COC2(C)C 238443535 573590055 /nfs/dbraw/zinc/59/00/55/573590055.db2.gz KHSADXPNCZUISN-RNJXMRFFSA-N 0 0 168.236 1.637 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)N2C)o1 259117483 573590058 /nfs/dbraw/zinc/59/00/58/573590058.db2.gz RMBGVVYZGBJRAG-ZETCQYMHSA-N 0 0 180.207 1.284 10 0 ADAERN CC[C@@H](CO)[C@H](O)Cc1ccccc1 308631609 573590059 /nfs/dbraw/zinc/59/00/59/573590059.db2.gz UZSBUHIQZOVNJL-NWDGAFQWSA-N 0 0 194.274 1.609 10 0 ADAERN C[C@@H](O)[C@H](C)CCCCO 78709874 573590071 /nfs/dbraw/zinc/59/00/71/573590071.db2.gz COOUSMCZIBOBRA-HTQZYQBOSA-N 0 0 146.230 1.166 10 0 ADAERN Nc1csc(C=O)c1 75491186 573590117 /nfs/dbraw/zinc/59/01/17/573590117.db2.gz NIQMAYUPRXWGBU-UHFFFAOYSA-N 0 0 127.168 1.143 10 0 ADAERN CC1(C)C[N@@H+](C2CC2)CC[C@H]1C(=O)[O-] 259134340 573590118 /nfs/dbraw/zinc/59/01/18/573590118.db2.gz DCEMFSHDGUXXGT-VIFPVBQESA-N 0 0 197.278 1.582 10 0 ADAERN Cc1ccccc1C[C@H](F)C(N)=O 259520930 573590137 /nfs/dbraw/zinc/59/01/37/573590137.db2.gz AGFZVTDPRVAOAU-VIFPVBQESA-N 0 0 181.210 1.361 10 0 ADAERN CC(=O)O[C@H]1C=CC[C@@H](O)C=CC1 393539118 573590159 /nfs/dbraw/zinc/59/01/59/573590159.db2.gz PPUVEZOPXMDEAP-VHSXEESVSA-N 0 0 182.219 1.185 10 0 ADAERN CCc1noc(CC)c1C(=O)OC 259520651 573590164 /nfs/dbraw/zinc/59/01/64/573590164.db2.gz DCXRUFWEDGALBE-UHFFFAOYSA-N 0 0 183.207 1.586 10 0 ADAERN COc1cc2c(cnn2C)cc1C=O 259521944 573590188 /nfs/dbraw/zinc/59/01/88/573590188.db2.gz QJAGNHLOIXPILT-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN CC[C@@H]1Oc2ccc(N)cc2NC1=N 75489980 573590194 /nfs/dbraw/zinc/59/01/94/573590194.db2.gz QUWZVACBXBTUSS-QMMMGPOBSA-N 0 0 191.234 1.429 10 0 ADAERN CCC(=O)[C@@H](O)c1cccc(F)c1 258810456 573590214 /nfs/dbraw/zinc/59/02/14/573590214.db2.gz NWRFSPBZJSMDAT-JTQLQIEISA-N 0 0 182.194 1.838 10 0 ADAERN COc1cccc2c1C[C@H](C)[C@@H]2O 86721699 573590245 /nfs/dbraw/zinc/59/02/45/573590245.db2.gz OXLPBZQEHCCPMV-CPCISQLKSA-N 0 0 178.231 1.921 10 0 ADAERN C[C@H]1NCc2ncnc(Cl)c21 259521275 573590250 /nfs/dbraw/zinc/59/02/50/573590250.db2.gz AJKDAVNSODYHOG-SCSAIBSYSA-N 0 0 169.615 1.294 10 0 ADAERN C[C@H]1C=CCC(=O)[C@]12CCCC2=O 238443418 573590252 /nfs/dbraw/zinc/59/02/52/573590252.db2.gz PXEHDDJPBFJFCA-KWQFWETISA-N 0 0 178.231 1.891 10 0 ADAERN C[NH2+][C@H](/C=C/C(=O)[O-])C1CCCC1 259518561 573591343 /nfs/dbraw/zinc/59/13/43/573591343.db2.gz TZZQCIWWOUGIKC-XCODYQFDSA-N 0 0 183.251 1.405 10 0 ADAERN C[C@H](O)[C@H](C)CCCCO 78709884 573591258 /nfs/dbraw/zinc/59/12/58/573591258.db2.gz COOUSMCZIBOBRA-SFYZADRCSA-N 0 0 146.230 1.166 10 0 ADAERN Nc1c[nH]nc1C1CCSCC1 257833628 573591261 /nfs/dbraw/zinc/59/12/61/573591261.db2.gz KKCUCEQGQXJNTE-UHFFFAOYSA-N 0 0 183.280 1.603 10 0 ADAERN Nc1nnc(Nc2cccc(F)c2)o1 236379673 573591265 /nfs/dbraw/zinc/59/12/65/573591265.db2.gz QNDYDIMFUVVLEI-UHFFFAOYSA-N 0 0 194.169 1.535 10 0 ADAERN O[C@@H](CC1CC1)[C@H]1CCCO1 83711893 573599938 /nfs/dbraw/zinc/59/99/38/573599938.db2.gz VCKSSVSQZXIEAZ-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@H]1CC(=O)Nc2ccoc21 238454989 573591337 /nfs/dbraw/zinc/59/13/37/573591337.db2.gz LHYWBXNNVXHUKW-YFKPBYRVSA-N 0 0 151.165 1.725 10 0 ADAERN OCC1(c2ccccc2CNO)CC1 259521424 573591305 /nfs/dbraw/zinc/59/13/05/573591305.db2.gz SRHZTJJOFRWSQK-UHFFFAOYSA-N 0 0 193.246 1.189 10 0 ADAERN C[C@@H]1NCc2ncnc(Cl)c21 259521273 573591000 /nfs/dbraw/zinc/59/10/00/573591000.db2.gz AJKDAVNSODYHOG-BYPYZUCNSA-N 0 0 169.615 1.294 10 0 ADAERN COc1nc(C)c(Cl)cc1N 257833556 573591001 /nfs/dbraw/zinc/59/10/01/573591001.db2.gz KHKRPBCNSVDTMX-UHFFFAOYSA-N 0 0 172.615 1.634 10 0 ADAERN C[C@@]12CCNC(=O)C=C1CCCC2=O 238443361 573591018 /nfs/dbraw/zinc/59/10/18/573591018.db2.gz AINURWUOIWAVBP-LLVKDONJSA-N 0 0 193.246 1.192 10 0 ADAERN CC(=O)O[C@H]1C=CC[C@H](O)C=CC1 393539116 573591028 /nfs/dbraw/zinc/59/10/28/573591028.db2.gz PPUVEZOPXMDEAP-NXEZZACHSA-N 0 0 182.219 1.185 10 0 ADAERN COc1cccc2c1C[C@@H](C)[C@@H]2O 86721696 573591031 /nfs/dbraw/zinc/59/10/31/573591031.db2.gz OXLPBZQEHCCPMV-HQJQHLMTSA-N 0 0 178.231 1.921 10 0 ADAERN CCCC[N@H+](C)[C@H]1C[C@@H]1C(=O)[O-] 259117002 573591084 /nfs/dbraw/zinc/59/10/84/573591084.db2.gz BMNFRFNJROFNOX-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)Nc1cc(NC2CC2)ncn1 258809415 573591317 /nfs/dbraw/zinc/59/13/17/573591317.db2.gz UTJVAFXTBZPRSH-UHFFFAOYSA-N 0 0 192.266 1.871 10 0 ADAERN Cc1c(O)cccc1OC[C@H](C)O 83677203 573591121 /nfs/dbraw/zinc/59/11/21/573591121.db2.gz TYUYZOUZGMOWKR-ZETCQYMHSA-N 0 0 182.219 1.460 10 0 ADAERN CC1=NC[C@@H]2[C@H](C)C(=O)[C@@]12C 238443288 573591142 /nfs/dbraw/zinc/59/11/42/573591142.db2.gz BKJUIRKNLCMDJU-KWPFTWCOSA-N 0 0 151.209 1.302 10 0 ADAERN Nc1n[nH]c(C(F)(F)F)c1Cl 107418060 573591152 /nfs/dbraw/zinc/59/11/52/573591152.db2.gz GDJHEGTWVAJPNY-UHFFFAOYSA-N 0 0 185.536 1.664 10 0 ADAERN CC1(C)OC[C@H](C/C=C/C=C/CO)O1 214701145 573591164 /nfs/dbraw/zinc/59/11/64/573591164.db2.gz HDPQFYKXZJHWOD-SWXMNJOUSA-N 0 0 198.262 1.633 10 0 ADAERN COc1ccc2c(c1)[C@H](O)[C@@H](C)C2 86722072 573591187 /nfs/dbraw/zinc/59/11/87/573591187.db2.gz NXYUYZLJPPVJRY-WRWORJQWSA-N 0 0 178.231 1.921 10 0 ADAERN Cc1c[nH]c2sc(N)cc2c1=O 75492077 573591325 /nfs/dbraw/zinc/59/13/25/573591325.db2.gz LLZDUSQWXYZRIN-UHFFFAOYSA-N 0 0 180.232 1.480 10 0 ADAERN C[C@H](O)Cc1cccc(CCON)c1 259521464 573591243 /nfs/dbraw/zinc/59/12/43/573591243.db2.gz SSEOIHYNFVOLQQ-VIFPVBQESA-N 0 0 195.262 1.043 10 0 ADAERN c1cnnc([C@H]2CCCCO2)c1 259521348 573591599 /nfs/dbraw/zinc/59/15/99/573591599.db2.gz SQERVDZBTPBCNU-SECBINFHSA-N 0 0 164.208 1.718 10 0 ADAERN CC1(C)CCC(=O)N(C[C@H]2CO2)CC1 83681449 573591492 /nfs/dbraw/zinc/59/14/92/573591492.db2.gz IVTVZVYAKMHGTE-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN C[C@@]1(C2CCCC2)CCNC(=O)N1 257833650 573591495 /nfs/dbraw/zinc/59/14/95/573591495.db2.gz KLJCVPZUBKNQAB-JTQLQIEISA-N 0 0 182.267 1.638 10 0 ADAERN C/C(=C/c1ccccc1)[C@H](O)[C@H](C)O 308631083 573591517 /nfs/dbraw/zinc/59/15/17/573591517.db2.gz UONPFMPAOYHEPH-JDQIMWGRSA-N 0 0 192.258 1.832 10 0 ADAERN Cc1nc(CCC(=O)[O-])[nH]c1C1CC1 257833717 573591549 /nfs/dbraw/zinc/59/15/49/573591549.db2.gz KDFODYLNYBLMMV-UHFFFAOYSA-N 0 0 194.234 1.613 10 0 ADAERN CCC[C@](N)(C(=O)OC)C(C)(C)F 257833716 573591571 /nfs/dbraw/zinc/59/15/71/573591571.db2.gz KDFKGICKNTXCAH-VIFPVBQESA-N 0 0 191.246 1.405 10 0 ADAERN C[C@@H]1C=CC(C)(C)[C@@H](O)C1 238443189 573591576 /nfs/dbraw/zinc/59/15/76/573591576.db2.gz RFRMQBHXNGQGGS-SFYZADRCSA-N 0 0 140.226 1.970 10 0 ADAERN ClC1(c2ccncc2)COC1 258809089 573591583 /nfs/dbraw/zinc/59/15/83/573591583.db2.gz XNGZRFJQEYZDJH-UHFFFAOYSA-N 0 0 169.611 1.546 10 0 ADAERN Cc1cc(=O)n2c(n1)CCC[C@H]2C 238443198 573591624 /nfs/dbraw/zinc/59/16/24/573591624.db2.gz MKOIWBUIDMPUOY-MRVPVSSYSA-N 0 0 178.235 1.346 10 0 ADAERN C[C@@]12CCOC[C@H]1C(=O)CC2 238443729 573591628 /nfs/dbraw/zinc/59/16/28/573591628.db2.gz YBKWXYOPUIRQBG-IONNQARKSA-N 0 0 154.209 1.392 10 0 ADAERN CCCn1cc([C@](C)(F)[C@@H](C)[NH3+])cn1 308640927 573591634 /nfs/dbraw/zinc/59/16/34/573591634.db2.gz CZRKITFKDHZXCB-PSASIEDQSA-N 0 0 199.273 1.825 10 0 ADAERN CCc1nc2cc(Cl)[nH+][n-]c-2n1 258066764 573591644 /nfs/dbraw/zinc/59/16/44/573591644.db2.gz TWRMPNKFEDLGPN-UHFFFAOYSA-N 0 0 182.614 1.569 10 0 ADAERN CNC(=O)NCc1cc(C)ccc1C 258788954 573591653 /nfs/dbraw/zinc/59/16/53/573591653.db2.gz ZKZHLBHWJXHDJQ-UHFFFAOYSA-N 0 0 192.262 1.732 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2[C@@H]1CC[C@@]2(C)O 238443074 573591668 /nfs/dbraw/zinc/59/16/68/573591668.db2.gz MMXWQROLGOLSTD-OKJYPTKPSA-N 0 0 168.236 1.373 10 0 ADAERN CC[C@H](O)CCCCc1nccn1C 126632323 573591674 /nfs/dbraw/zinc/59/16/74/573591674.db2.gz WULMUDAIAMEZHJ-JTQLQIEISA-N 0 0 196.294 1.904 10 0 ADAERN C[C@@H]1C(=O)C[C@@H](C(C)(C)O)[C@@H]1C 238454959 573591707 /nfs/dbraw/zinc/59/17/07/573591707.db2.gz DPOANIZMQOXQMY-GJMOJQLCSA-N 0 0 170.252 1.619 10 0 ADAERN CC(=O)c1cc(-c2ccccn2)[nH]n1 259135557 573591737 /nfs/dbraw/zinc/59/17/37/573591737.db2.gz GZRPDZDKSBDVBF-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN C[C@@H](CC[NH2+]CC1CCC1)C(=O)[O-] 258808678 573591766 /nfs/dbraw/zinc/59/17/66/573591766.db2.gz FBMLEPHGCWCBBQ-QMMMGPOBSA-N 0 0 185.267 1.487 10 0 ADAERN CC1(C)CCC(=O)N(CCO)CC1 83681492 573591770 /nfs/dbraw/zinc/59/17/70/573591770.db2.gz LCFKKFFTJOQKOC-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN O[C@@H](c1ccncc1)[C@@H]1CCCOC1 224956881 573591774 /nfs/dbraw/zinc/59/17/74/573591774.db2.gz ZGUCJHVIVUEOGJ-MNOVXSKESA-N 0 0 193.246 1.542 10 0 ADAERN CC(C)(C)c1ncc(OCCO)cn1 258809170 573591785 /nfs/dbraw/zinc/59/17/85/573591785.db2.gz YIRUTYAPFMMXNZ-UHFFFAOYSA-N 0 0 196.250 1.145 10 0 ADAERN C[C@H]1C[C@H](O)C[C@@H](C(C)(C)C)O1 238443765 573591799 /nfs/dbraw/zinc/59/17/99/573591799.db2.gz SMVDFSOVJLDATA-CIUDSAMLSA-N 0 0 172.268 1.961 10 0 ADAERN C[C@@H]1C[C@@](C)(O)c2cc(N)ccc21 238443145 573591815 /nfs/dbraw/zinc/59/18/15/573591815.db2.gz DFGSWTRSPMOCFH-RDDDGLTNSA-N 0 0 177.247 1.984 10 0 ADAERN CC(=O)OC[C@@H]1CC[C@@H](C)C1=O 238443335 573591828 /nfs/dbraw/zinc/59/18/28/573591828.db2.gz RTGSNWZJSBGGSM-SVRRBLITSA-N 0 0 170.208 1.165 10 0 ADAERN CCN(C(=O)C(C)(C)C)[C@@H]1CCOC1 308640516 573591838 /nfs/dbraw/zinc/59/18/38/573591838.db2.gz CUMFUGWHGLAZEA-SECBINFHSA-N 0 0 199.294 1.670 10 0 ADAERN C[C@H](O)[C@@H](C)CCCCO 78709878 573591841 /nfs/dbraw/zinc/59/18/41/573591841.db2.gz COOUSMCZIBOBRA-YUMQZZPRSA-N 0 0 146.230 1.166 10 0 ADAERN CC(N)=CC(=O)OCc1ccccc1 135841027 573591864 /nfs/dbraw/zinc/59/18/64/573591864.db2.gz LPYNWRPARGBJOL-VQHVLOKHSA-N 0 0 191.230 1.592 10 0 ADAERN CC1(C)CCCN(C=O)CC1 83681331 573591888 /nfs/dbraw/zinc/59/18/88/573591888.db2.gz KZMPNNWBENTSME-UHFFFAOYSA-N 0 0 155.241 1.655 10 0 ADAERN COc1c[nH]cc1[C@H](N)C(F)(F)F 238443125 573591897 /nfs/dbraw/zinc/59/18/97/573591897.db2.gz UDIQHTIINHWFQE-LURJTMIESA-N 0 0 194.156 1.585 10 0 ADAERN C[C@@]12CCC[C@]1(CO)C2 238443040 573591986 /nfs/dbraw/zinc/59/19/86/573591986.db2.gz YDYZRTHGLNRMDW-JGVFFNPUSA-N 0 0 126.199 1.559 10 0 ADAERN CC(=O)C[C@H](O)[C@H]1CCC=C[C@@H]1C 238443756 573591913 /nfs/dbraw/zinc/59/19/13/573591913.db2.gz BLPSKHWWAKYQJC-LSJOCFKGSA-N 0 0 182.263 1.929 10 0 ADAERN C[C@@H](CCCCO)[C@@H](C)O 78709871 573591920 /nfs/dbraw/zinc/59/19/20/573591920.db2.gz COOUSMCZIBOBRA-JGVFFNPUSA-N 0 0 146.230 1.166 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H](O)C[C@@H]1C 238443657 573591931 /nfs/dbraw/zinc/59/19/31/573591931.db2.gz QMLUDKNVCVTBTQ-NBEYISGCSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@H](O)[C@H](C)CC1=NC(C)(C)CO1 238443780 573591937 /nfs/dbraw/zinc/59/19/37/573591937.db2.gz YYONLGCQTPBRFM-HTQZYQBOSA-N 0 0 185.267 1.601 10 0 ADAERN CC(C)[C@H](CO)C(=O)NC1CCCC1 258813563 573591979 /nfs/dbraw/zinc/59/19/79/573591979.db2.gz UMNLMVKQPARCLY-JTQLQIEISA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H](O)Cc1cccc(CCON)c1 259521462 573593750 /nfs/dbraw/zinc/59/37/50/573593750.db2.gz SSEOIHYNFVOLQQ-SECBINFHSA-N 0 0 195.262 1.043 10 0 ADAERN CCn1c(C(C)=O)cnc1C1CC1 75515474 573593782 /nfs/dbraw/zinc/59/37/82/573593782.db2.gz GIKMWUCOPFVFJP-UHFFFAOYSA-N 0 0 178.235 1.983 10 0 ADAERN C[C@@H]1C[NH2+][C@H](CC2CC2)[C@@H](C(=O)[O-])C1 238456194 573593790 /nfs/dbraw/zinc/59/37/90/573593790.db2.gz OARILTICCSJRDN-UJNFCWOMSA-N 0 0 197.278 1.485 10 0 ADAERN C[C@@H](O)CN1CCC(C)(C)CCC1=O 83681490 573593791 /nfs/dbraw/zinc/59/37/91/573593791.db2.gz TYRDTJKMQJDTGM-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H]1CCc2ccc(CO)nc21 238456000 573593813 /nfs/dbraw/zinc/59/38/13/573593813.db2.gz BYGVXEZXZABZKP-ZETCQYMHSA-N 0 0 163.220 1.624 10 0 ADAERN OCC1(C2(C3CCC3)COC2)CCC1 259136304 573593819 /nfs/dbraw/zinc/59/38/19/573593819.db2.gz HPJKRFZVAIUCJL-UHFFFAOYSA-N 0 0 196.290 1.966 10 0 ADAERN COc1cnn(C2CC2)c1Cl 258788506 573593737 /nfs/dbraw/zinc/59/37/37/573593737.db2.gz XKJIANSHDLQBSS-UHFFFAOYSA-N 0 0 172.615 1.880 10 0 ADAERN NOCC(F)(F)c1cccc(O)c1 259521040 573593829 /nfs/dbraw/zinc/59/38/29/573593829.db2.gz AGWZEGADTIFXFW-UHFFFAOYSA-N 0 0 189.161 1.374 10 0 ADAERN CCOC(=O)NC[C@@H]1CCCCC1=O 238275978 573593654 /nfs/dbraw/zinc/59/36/54/573593654.db2.gz XJNBKEBOEZBZQS-QMMMGPOBSA-N 0 0 199.250 1.492 10 0 ADAERN CC(=O)CN1CCC(C)(C)CCC1=O 83681478 573593656 /nfs/dbraw/zinc/59/36/56/573593656.db2.gz NJVSZYHGDZZCQG-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CCc1sccc1N 75522684 573593658 /nfs/dbraw/zinc/59/36/58/573593658.db2.gz PLVZBBYKXSEOMQ-UHFFFAOYSA-N 0 0 127.212 1.893 10 0 ADAERN CCON(C)[S@@](=N)(=O)C(C)(C)C 404861666 573593668 /nfs/dbraw/zinc/59/36/68/573593668.db2.gz WSNCNOVPQDVCBT-GFCCVEGCSA-N 0 0 194.300 1.630 10 0 ADAERN Cc1cc(N)nc(C(F)F)c1O 238455500 573593669 /nfs/dbraw/zinc/59/36/69/573593669.db2.gz YDFFHEIWIBYQEN-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN Cn1nc2c(c1C1CC1)C(=O)CCC2 107420376 573593675 /nfs/dbraw/zinc/59/36/75/573593675.db2.gz RIHDMINVRALGCW-UHFFFAOYSA-N 0 0 190.246 1.817 10 0 ADAERN Cc1nc(C2(C)CC2)ncc1CO 642833082 573594717 /nfs/dbraw/zinc/59/47/17/573594717.db2.gz UGISWBXWSROTFM-UHFFFAOYSA-N 0 0 177.227 1.339 10 0 ADAERN Cc1c(CO)cc(F)nc1C(F)F 238456814 573597835 /nfs/dbraw/zinc/59/78/35/573597835.db2.gz MNTXOCUGBVGCJW-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CCC(=O)[C@H](CO)C(C)C 259135049 573594750 /nfs/dbraw/zinc/59/47/50/573594750.db2.gz MXCUHLYZXNHOGI-SSDOTTSWSA-N 0 0 144.214 1.230 10 0 ADAERN Cc1nccnc1[C@H](C)NOC(C)C 393538963 573594768 /nfs/dbraw/zinc/59/47/68/573594768.db2.gz ZANALOIIUMRLAX-VIFPVBQESA-N 0 0 195.266 1.776 10 0 ADAERN O=Cc1oncc1-c1ccc(O)cc1 257835551 573594789 /nfs/dbraw/zinc/59/47/89/573594789.db2.gz LRXMIGPSKRRVMP-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CCC(=O)[C@H](O)c1cccc(F)c1 258810460 573594852 /nfs/dbraw/zinc/59/48/52/573594852.db2.gz NWRFSPBZJSMDAT-SNVBAGLBSA-N 0 0 182.194 1.838 10 0 ADAERN C[C@@H]1C[C@H](O)OCC(C)(C)C1 238455279 573594854 /nfs/dbraw/zinc/59/48/54/573594854.db2.gz KLZNUMDQLRRUMF-HTQZYQBOSA-N 0 0 158.241 1.778 10 0 ADAERN Cc1cc(N)nc(CO)c1C(F)F 238456062 573594870 /nfs/dbraw/zinc/59/48/70/573594870.db2.gz YKTDDQKGFXOVNF-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN C[C@]1(CO)COc2ccccc2C1 238455364 573594900 /nfs/dbraw/zinc/59/49/00/573594900.db2.gz HOEYCPFZFYJQBE-NSHDSACASA-N 0 0 178.231 1.620 10 0 ADAERN Cc1cc(N(C)CCCO)ccc1F 259136095 573595058 /nfs/dbraw/zinc/59/50/58/573595058.db2.gz WXBZHDKGXYVBTR-UHFFFAOYSA-N 0 0 197.253 1.953 10 0 ADAERN Nc1cccc([C@@H](O)C2=CCCO2)c1 236378944 573594984 /nfs/dbraw/zinc/59/49/84/573594984.db2.gz XPKGLYWASIPEMM-LLVKDONJSA-N 0 0 191.230 1.606 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H](O)C(C)(C)C1 238455989 573594988 /nfs/dbraw/zinc/59/49/88/573594988.db2.gz BNSSLORFCQFXID-GJMOJQLCSA-N 0 0 158.241 1.164 10 0 ADAERN C[C@H]1CC(=O)[C@@H](CCO)C1(C)C 238456354 573595003 /nfs/dbraw/zinc/59/50/03/573595003.db2.gz BNGCXJMNWYDUDH-JGVFFNPUSA-N 0 0 170.252 1.620 10 0 ADAERN C/C=C1\C[C@@H]1C(=O)Nc1ccccn1 308405451 573595087 /nfs/dbraw/zinc/59/50/87/573595087.db2.gz BPTJFWNVFRMSPC-WWQRDVDESA-N 0 0 188.230 1.986 10 0 ADAERN CC(=O)c1nn(C)c2c(F)cccc12 107423120 573595020 /nfs/dbraw/zinc/59/50/20/573595020.db2.gz JSSGNYMSJIHZDV-UHFFFAOYSA-N 0 0 192.193 1.915 10 0 ADAERN OCCOc1cnn(C2CCCC2)c1 258788508 573595034 /nfs/dbraw/zinc/59/50/34/573595034.db2.gz XKJJEFIHAXYHGX-UHFFFAOYSA-N 0 0 196.250 1.369 10 0 ADAERN CN[C@H](N)c1c(C)cc(C)cc1OC 259135758 573595038 /nfs/dbraw/zinc/59/50/38/573595038.db2.gz CPFXMSIGXLFBDW-NSHDSACASA-N 0 0 194.278 1.489 10 0 ADAERN Nc1ccc(F)cc1Cc1cc[nH]n1 257833834 573595049 /nfs/dbraw/zinc/59/50/49/573595049.db2.gz KFYKRHJMHHEGEM-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN C[Si](C)(CCO)c1ccc(F)cc1 238455923 573595275 /nfs/dbraw/zinc/59/52/75/573595275.db2.gz JIJMWQRPTISSED-UHFFFAOYSA-N 0 0 198.313 1.733 10 0 ADAERN OCC/C=C\C=C\C=C\C=C\CCO 308632370 573595277 /nfs/dbraw/zinc/59/52/77/573595277.db2.gz WASRZSDJUDMZAK-LPZPKAQPSA-N 0 0 194.274 1.976 10 0 ADAERN C[C@H](O)[C@@H](C)CC1=NC(C)(C)CO1 238455538 573595310 /nfs/dbraw/zinc/59/53/10/573595310.db2.gz YYONLGCQTPBRFM-YUMQZZPRSA-N 0 0 185.267 1.601 10 0 ADAERN C/C=C\CN(C)[C@H](CC)C(=O)OC 308405382 573595311 /nfs/dbraw/zinc/59/53/11/573595311.db2.gz JJGBMHLLVSSYJH-WILPJHFFSA-N 0 0 185.267 1.446 10 0 ADAERN CCOC(=O)[C@H](c1cn[nH]c1)C(C)C 259616112 573595328 /nfs/dbraw/zinc/59/53/28/573595328.db2.gz FJEAYPNJRDQRGQ-VIFPVBQESA-N 0 0 196.250 1.712 10 0 ADAERN C[C@@H]1C[C@H](O)ON1Cc1ccccc1 238455340 573595376 /nfs/dbraw/zinc/59/53/76/573595376.db2.gz YLQQTYLMIOBRFE-MWLCHTKSSA-N 0 0 193.246 1.531 10 0 ADAERN Cc1c(C(F)F)ncc(N)c1CO 238456444 573596213 /nfs/dbraw/zinc/59/62/13/573596213.db2.gz WYGMUEBCAOMYCJ-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)(O)[C@H]1CCc2cccnc21 86734796 573595381 /nfs/dbraw/zinc/59/53/81/573595381.db2.gz MDWFEFTWYPLKAB-VIFPVBQESA-N 0 0 177.247 1.882 10 0 ADAERN C[C@H]1CC(=O)[C@H](C)CN1Cl 238457569 573600838 /nfs/dbraw/zinc/60/08/38/573600838.db2.gz XSGXTYAHPYZGPW-RITPCOANSA-N 0 0 161.632 1.440 10 0 ADAERN CCn1ccnc1C(=O)[C@H]1CCCO1 83710920 573595445 /nfs/dbraw/zinc/59/54/45/573595445.db2.gz VZFRNDHHKLKANO-MRVPVSSYSA-N 0 0 194.234 1.265 10 0 ADAERN CC(=O)C1=C(O)C[C@H](C)S1 238455645 573595450 /nfs/dbraw/zinc/59/54/50/573595450.db2.gz UCLWMCJAGAUWPO-MHTLYPKNSA-N 0 0 158.222 1.039 10 0 ADAERN Cc1c2c(nn1C)CCC(C)(C)C2=O 107423784 573595452 /nfs/dbraw/zinc/59/54/52/573595452.db2.gz HOQQYYKCZZHIQC-UHFFFAOYSA-N 0 0 192.262 1.884 10 0 ADAERN CNOC/C=C/c1ccco1 258504036 573595465 /nfs/dbraw/zinc/59/54/65/573595465.db2.gz DQGANEODJNSRGK-HWKANZROSA-N 0 0 153.181 1.444 10 0 ADAERN COC(=O)C[C@@H]1CCCCC[C@H]1O 259524622 573595466 /nfs/dbraw/zinc/59/54/66/573595466.db2.gz AKFULBAIBHZEAU-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN Cc1cc(N)nc(C(F)F)c1C=O 238455204 573595480 /nfs/dbraw/zinc/59/54/80/573595480.db2.gz HSWMLDOIHOTMLY-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CCOC(=O)NC[C@@H]1C=CCC1 238276563 573595483 /nfs/dbraw/zinc/59/54/83/573595483.db2.gz QIKRQSWLARSVFV-MRVPVSSYSA-N 0 0 169.224 1.699 10 0 ADAERN C[C@H]1C[C@](C)(O)CCC1=O 238455127 573595485 /nfs/dbraw/zinc/59/54/85/573595485.db2.gz TYVNOCVDBRPZEK-POYBYMJQSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@H]1CN(Cl)[C@@H](C)CC1=O 238455872 573595495 /nfs/dbraw/zinc/59/54/95/573595495.db2.gz XSGXTYAHPYZGPW-WDSKDSINSA-N 0 0 161.632 1.440 10 0 ADAERN Cc1nc2n(c1C)[C@@H](C)CC(=O)N2 238455016 573595509 /nfs/dbraw/zinc/59/55/09/573595509.db2.gz WWLZIJYLAKFHHS-YFKPBYRVSA-N 0 0 179.223 1.403 10 0 ADAERN C[C@@H](O)/C=C1/OC(=O)c2ccccc21 223676706 573596219 /nfs/dbraw/zinc/59/62/19/573596219.db2.gz DHAXUAJQZNOZHE-VSUWBIFXSA-N 0 0 190.198 1.579 10 0 ADAERN CCOC(=O)[C@@]1(C)CC(=O)[C@H](C)C1 306508123 573595525 /nfs/dbraw/zinc/59/55/25/573595525.db2.gz ABUVASBGURAVPA-GMSGAONNSA-N 0 0 184.235 1.555 10 0 ADAERN C[C@]1(CO)CO[C@H](c2ccccc2)O1 238455278 573595530 /nfs/dbraw/zinc/59/55/30/573595530.db2.gz QDWNNYFTHYNOPA-QWRGUYRKSA-N 0 0 194.230 1.483 10 0 ADAERN C[C@@H]1Cc2ccccc2[C@@]1([NH3+])C(=O)[O-] 107421344 573595551 /nfs/dbraw/zinc/59/55/51/573595551.db2.gz TVZRQWWNRBMWIN-RDDDGLTNSA-N 0 0 191.230 1.117 10 0 ADAERN CN[C@@H](N)c1c(C)cc(C)cc1OC 259135756 573595563 /nfs/dbraw/zinc/59/55/63/573595563.db2.gz CPFXMSIGXLFBDW-LLVKDONJSA-N 0 0 194.278 1.489 10 0 ADAERN CCC[C@H](C(=O)OC1CC1)N(C)C 308405801 573595582 /nfs/dbraw/zinc/59/55/82/573595582.db2.gz JPBWBTJLHKTLDA-SECBINFHSA-N 0 0 185.267 1.422 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CCCO1 83710669 573595599 /nfs/dbraw/zinc/59/55/99/573595599.db2.gz BLINJJFXHXOLQH-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN Nc1cccc(Nc2cn[nH]c2)c1 259523553 573595600 /nfs/dbraw/zinc/59/56/00/573595600.db2.gz APHHNSZDFOKAFE-UHFFFAOYSA-N 0 0 174.207 1.736 10 0 ADAERN O=CN1CCC[C@H]2CCC[C@@H]21 83702657 573595612 /nfs/dbraw/zinc/59/56/12/573595612.db2.gz RNFCBFLNPWDEHR-BDAKNGLRSA-N 0 0 153.225 1.407 10 0 ADAERN C[C@H]1CCc2c(CCO)ccn21 238455015 573595613 /nfs/dbraw/zinc/59/56/13/573595613.db2.gz OSFBNWULZJVAPG-QMMMGPOBSA-N 0 0 165.236 1.530 10 0 ADAERN C[C@]1(CO)Cc2ccccc21 238455720 573595626 /nfs/dbraw/zinc/59/56/26/573595626.db2.gz YFGAUNIZHARZNO-SNVBAGLBSA-N 0 0 148.205 1.493 10 0 ADAERN Cn1ncc2c(F)cc(C=O)cc21 259524032 573595646 /nfs/dbraw/zinc/59/56/46/573595646.db2.gz QRHWHOBOCWTJQQ-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN COCCCc1oncc1C(C)=O 259135562 573595659 /nfs/dbraw/zinc/59/56/59/573595659.db2.gz GZXFSDRHUMSMBS-UHFFFAOYSA-N 0 0 183.207 1.456 10 0 ADAERN Cc1ccc(CO)c2c1CCC2 258064227 573595668 /nfs/dbraw/zinc/59/56/68/573595668.db2.gz SXJYDOWLOAMWTB-UHFFFAOYSA-N 0 0 162.232 1.976 10 0 ADAERN CCC(=O)[C@@H](CO)C(C)C 259135052 573595680 /nfs/dbraw/zinc/59/56/80/573595680.db2.gz MXCUHLYZXNHOGI-ZETCQYMHSA-N 0 0 144.214 1.230 10 0 ADAERN CC1(C)O[C@@H]2[C@@H](C=C(Cl)[C@@H]2O)O1 198358368 573595715 /nfs/dbraw/zinc/59/57/15/573595715.db2.gz NJQPPDQUCYUNPC-DSYKOEDSSA-N 0 0 190.626 1.004 10 0 ADAERN Cc1cc(N)nc(C(F)F)c1CO 238455334 573595718 /nfs/dbraw/zinc/59/57/18/573595718.db2.gz PVJBOEBTLJMTAY-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CCOC(=O)[C@@H](c1cn[nH]c1)C(C)C 259616110 573595744 /nfs/dbraw/zinc/59/57/44/573595744.db2.gz FJEAYPNJRDQRGQ-SECBINFHSA-N 0 0 196.250 1.712 10 0 ADAERN CCc1ccc(O)c(CCCO)c1 258066796 573595762 /nfs/dbraw/zinc/59/57/62/573595762.db2.gz TXOSORVJJIGZAQ-UHFFFAOYSA-N 0 0 180.247 1.880 10 0 ADAERN Cc1c(CO)[nH]c(=O)c2ccccc12 238455970 573595815 /nfs/dbraw/zinc/59/58/15/573595815.db2.gz AYQYEXFTRUXMOT-UHFFFAOYSA-N 0 0 189.214 1.329 10 0 ADAERN CCn1nccc1[C@@H](O)[C@H]1CCCO1 83711693 573595825 /nfs/dbraw/zinc/59/58/25/573595825.db2.gz SWDYWPKCTUSDAP-NXEZZACHSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@H]1CC(=O)Oc2cc(N)ccc21 238455527 573595845 /nfs/dbraw/zinc/59/58/45/573595845.db2.gz FESOMLMAENEYIE-LURJTMIESA-N 0 0 177.203 1.681 10 0 ADAERN O[C@@H](Cc1ccccc1)[C@H]1CCCO1 83711266 573596855 /nfs/dbraw/zinc/59/68/55/573596855.db2.gz VTTAHPKMGUFXGS-NWDGAFQWSA-N 0 0 192.258 1.769 10 0 ADAERN CC(=O)c1cc(C[C@@H]2CCCO2)n[nH]1 259135424 573595870 /nfs/dbraw/zinc/59/58/70/573595870.db2.gz GXXOBZODFXZMBL-VIFPVBQESA-N 0 0 194.234 1.334 10 0 ADAERN C=CC(=O)NCC(C)(C)C(C)(C)O 393540015 573596857 /nfs/dbraw/zinc/59/68/57/573596857.db2.gz VUIFKQJLOFHZPF-UHFFFAOYSA-N 0 0 185.267 1.086 10 0 ADAERN C[C@]1(CO)COc2ccc(Cl)cc21 238455323 573595895 /nfs/dbraw/zinc/59/58/95/573595895.db2.gz USYDATFMOCHZQA-JTQLQIEISA-N 0 0 198.649 1.982 10 0 ADAERN C[C@@H](c1ccccc1)n1[nH]ccc1=O 238455738 573595924 /nfs/dbraw/zinc/59/59/24/573595924.db2.gz QPFMNNAJNJBSQJ-VIFPVBQESA-N 0 0 188.230 1.966 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H]2C[C@]12C 238456213 573595936 /nfs/dbraw/zinc/59/59/36/573595936.db2.gz OVYHJBJJYKJSMA-VGRMVHKJSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@]1(CO)CO[C@@H](c2ccccc2)O1 238455263 573595961 /nfs/dbraw/zinc/59/59/61/573595961.db2.gz QDWNNYFTHYNOPA-MNOVXSKESA-N 0 0 194.230 1.483 10 0 ADAERN O=C(Cc1ccoc1)CC1OCCO1 236395286 573595992 /nfs/dbraw/zinc/59/59/92/573595992.db2.gz LBUBNPLNRCDKOA-UHFFFAOYSA-N 0 0 196.202 1.154 10 0 ADAERN C[C@@H]1Cc2ccccc2[C@]1([NH3+])C(=O)[O-] 107421338 573596026 /nfs/dbraw/zinc/59/60/26/573596026.db2.gz TVZRQWWNRBMWIN-HQJQHLMTSA-N 0 0 191.230 1.117 10 0 ADAERN C=CC(=O)N1CCC[C@@H]2CCC[C@H]21 83700087 573596864 /nfs/dbraw/zinc/59/68/64/573596864.db2.gz AFFZKVAULBCMCJ-VHSXEESVSA-N 0 0 179.263 1.964 10 0 ADAERN Oc1cccc2c1N1CCN=C1CN2 259523479 573596040 /nfs/dbraw/zinc/59/60/40/573596040.db2.gz AMLFJEQNBHCOAV-UHFFFAOYSA-N 0 0 189.218 1.036 10 0 ADAERN O[C@H](Cc1ccsc1)[C@H]1CCCO1 83711552 573596042 /nfs/dbraw/zinc/59/60/42/573596042.db2.gz QGAQZIGBTBLIOZ-NXEZZACHSA-N 0 0 198.287 1.831 10 0 ADAERN CCn1cc([C@@H](O)[C@@H]2CCCO2)cn1 83711380 573596052 /nfs/dbraw/zinc/59/60/52/573596052.db2.gz CIOAUISBVAMYHN-VHSXEESVSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@@H]1C[C@H](O)N(C)N1c1ccccc1 238455131 573596055 /nfs/dbraw/zinc/59/60/55/573596055.db2.gz FNOFPQBOQUJKNC-KOLCDFICSA-N 0 0 192.262 1.450 10 0 ADAERN CCc1cc(NC)nn1C 259137026 573596070 /nfs/dbraw/zinc/59/60/70/573596070.db2.gz JOPLHPNCWWRWBS-UHFFFAOYSA-N 0 0 139.202 1.024 10 0 ADAERN Cc1cccc2c1OCC[C@]2(C)O 238455668 573596089 /nfs/dbraw/zinc/59/60/89/573596089.db2.gz BCRPDNSSEWSLRU-NSHDSACASA-N 0 0 178.231 1.985 10 0 ADAERN Cc1nccc([C@H](O)CCCCF)n1 308631944 573596138 /nfs/dbraw/zinc/59/61/38/573596138.db2.gz ZHTHWUBQUXTTCJ-SNVBAGLBSA-N 0 0 198.241 1.958 10 0 ADAERN C[C@]1(c2ccc(CO)cc2)CCOC1 259523538 573596147 /nfs/dbraw/zinc/59/61/47/573596147.db2.gz AONSYABENFHOOT-LBPRGKRZSA-N 0 0 192.258 1.857 10 0 ADAERN CC(C)(C)n1cc[nH+]c1NCC(=O)[O-] 257835397 573596257 /nfs/dbraw/zinc/59/62/57/573596257.db2.gz AITGYDAEVPDXNG-UHFFFAOYSA-N 0 0 197.238 1.135 10 0 ADAERN FC1(F)CNC[C@@H]1Oc1ccccc1 257835365 573596272 /nfs/dbraw/zinc/59/62/72/573596272.db2.gz AHRWFBBHCHJCCN-VIFPVBQESA-N 0 0 199.200 1.673 10 0 ADAERN OCC1(CN2CCC(F)(F)C2)CC1 259522207 573596294 /nfs/dbraw/zinc/59/62/94/573596294.db2.gz PTUSEHGLYFXGMA-UHFFFAOYSA-N 0 0 191.221 1.100 10 0 ADAERN CC1=CN[C@@H](C)CC1=O 238455725 573596321 /nfs/dbraw/zinc/59/63/21/573596321.db2.gz OPDPEZDMVBFQTM-WDSKDSINSA-N 0 0 125.171 1.055 10 0 ADAERN O[C@H](C1CCCC1)[C@@H]1CCCO1 83711337 573596338 /nfs/dbraw/zinc/59/63/38/573596338.db2.gz TVWBYYJNSQPFFM-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN CC(=O)C1(c2cccs2)COC1 258815056 573596352 /nfs/dbraw/zinc/59/63/52/573596352.db2.gz YEMVYVJABLLQLS-UHFFFAOYSA-N 0 0 182.244 1.605 10 0 ADAERN Cc1ccccc1[C@H](C)[C@H]([NH3+])C(=O)[O-] 107424467 573596359 /nfs/dbraw/zinc/59/63/59/573596359.db2.gz WLKQYWCVYKPBNI-WPRPVWTQSA-N 0 0 193.246 1.510 10 0 ADAERN O=Cc1csc([C@@H]2CCCO2)n1 83710571 573596370 /nfs/dbraw/zinc/59/63/70/573596370.db2.gz GKSXANHHHVNTEY-ZETCQYMHSA-N 0 0 183.232 1.807 10 0 ADAERN Cc1c2c(nn1C(N)=O)CC[C@@H]2C 238456255 573596373 /nfs/dbraw/zinc/59/63/73/573596373.db2.gz VFSUMGPBNRMAGV-YFKPBYRVSA-N 0 0 179.223 1.168 10 0 ADAERN CCc1cc(C)nc(OC)n1 146881935 573596380 /nfs/dbraw/zinc/59/63/80/573596380.db2.gz XZBZVNISTZXYNZ-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN C[C@H]1CCC[C@@]2(C1)NC(=O)NC2=S 238455841 573596386 /nfs/dbraw/zinc/59/63/86/573596386.db2.gz WEWLINGUIGELFZ-RCOVLWMOSA-N 0 0 198.291 1.576 10 0 ADAERN O[C@H]1CCC[C@@H](Oc2cnccn2)C1 259523249 573596392 /nfs/dbraw/zinc/59/63/92/573596392.db2.gz LAEDPYAPMGQLEM-DTWKUNHWSA-N 0 0 194.234 1.159 10 0 ADAERN CC(C)n1ccnc1C(F)(F)CN 259523203 573596823 /nfs/dbraw/zinc/59/68/23/573596823.db2.gz AKEFTOVKQJRVBT-UHFFFAOYSA-N 0 0 189.209 1.515 10 0 ADAERN C[C@@]1(CO)C=Cc2ccc(O)cc2O1 238455900 573596404 /nfs/dbraw/zinc/59/64/04/573596404.db2.gz QDEPOELPYBOJPD-NSHDSACASA-N 0 0 192.214 1.549 10 0 ADAERN C[C@H]1Cc2ccccc2[C@@]1([NH3+])C(=O)[O-] 107421347 573596426 /nfs/dbraw/zinc/59/64/26/573596426.db2.gz TVZRQWWNRBMWIN-WRWORJQWSA-N 0 0 191.230 1.117 10 0 ADAERN CC(=O)CN(C)C(=O)c1cccs1 393539878 573596443 /nfs/dbraw/zinc/59/64/43/573596443.db2.gz UWLYKNBCZGOHAH-UHFFFAOYSA-N 0 0 197.259 1.409 10 0 ADAERN Cc1c(C(F)F)ncc(O)c1CO 238456464 573596454 /nfs/dbraw/zinc/59/64/54/573596454.db2.gz VXNIPRLUDVHSFZ-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN COC(=O)C[C@@H]1CCCCC[C@@H]1O 259524635 573596459 /nfs/dbraw/zinc/59/64/59/573596459.db2.gz AKFULBAIBHZEAU-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN NC(=S)N1CCC[C@@H]2CCC[C@H]21 83700230 573596465 /nfs/dbraw/zinc/59/64/65/573596465.db2.gz OIIRUXLYODMTSB-JGVFFNPUSA-N 0 0 184.308 1.495 10 0 ADAERN C[C@H]1CCc2ccc(CCO)n21 238455948 573596469 /nfs/dbraw/zinc/59/64/69/573596469.db2.gz JDLNLQSISKFZGL-QMMMGPOBSA-N 0 0 165.236 1.530 10 0 ADAERN O=C(CC1CCCC1)CC1OCCO1 236386268 573596513 /nfs/dbraw/zinc/59/65/13/573596513.db2.gz BYYWXFAPFVOTJZ-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H](CCO)C1(C)C 238455867 573596516 /nfs/dbraw/zinc/59/65/16/573596516.db2.gz ZNMQVFVLXDEPFS-HLTSFMKQSA-N 0 0 172.268 1.412 10 0 ADAERN CC(C)C[C@@H]1[C@@H](CO)[C@@H]1C(C)(C)O 393540392 573596524 /nfs/dbraw/zinc/59/65/24/573596524.db2.gz XJLYGSLNMPAPBW-OPRDCNLKSA-N 0 0 186.295 1.658 10 0 ADAERN CCN1c2cc(N)ccc2NC[C@@H]1C 259135672 573596540 /nfs/dbraw/zinc/59/65/40/573596540.db2.gz HBEQXOJSZGVJLB-QMMMGPOBSA-N 0 0 191.278 1.909 10 0 ADAERN COc1scnc1Br 96134325 573596832 /nfs/dbraw/zinc/59/68/32/573596832.db2.gz BWBOCHBXKYGKBL-UHFFFAOYSA-N 0 0 194.053 1.914 10 0 ADAERN Cc1ccc(C(=O)[C@H]2CCCO2)cn1 83710795 573596548 /nfs/dbraw/zinc/59/65/48/573596548.db2.gz XKIQIACAZNKBOH-SNVBAGLBSA-N 0 0 191.230 1.752 10 0 ADAERN C[C@H]1C[C@@H](CO)N(c2ccccc2)C1 238456030 573596572 /nfs/dbraw/zinc/59/65/72/573596572.db2.gz UJMHVXGAKOFFRJ-JQWIXIFHSA-N 0 0 191.274 1.894 10 0 ADAERN O[C@H](c1ccoc1)[C@@H]1CCCO1 83711840 573596573 /nfs/dbraw/zinc/59/65/73/573596573.db2.gz QUIRGXOJCPMALM-DTWKUNHWSA-N 0 0 168.192 1.492 10 0 ADAERN Cc1nn(C(N)=O)c2c1[C@@H](C)CC2 238455532 573596581 /nfs/dbraw/zinc/59/65/81/573596581.db2.gz BDMOUIHSIOWPPC-YFKPBYRVSA-N 0 0 179.223 1.168 10 0 ADAERN Cc1nc([C@@H]2CCCO2)[nH]c(=O)c1C 83710587 573596592 /nfs/dbraw/zinc/59/65/92/573596592.db2.gz ACWAJBWQAXZTTK-QMMMGPOBSA-N 0 0 194.234 1.238 10 0 ADAERN O[C@@H](CC1CC1)[C@@H]1CCCO1 83711895 573596606 /nfs/dbraw/zinc/59/66/06/573596606.db2.gz VCKSSVSQZXIEAZ-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN CCOc1cccc(C2(O)COC2)c1 258502547 573596631 /nfs/dbraw/zinc/59/66/31/573596631.db2.gz FADKDIAMNFEDLP-UHFFFAOYSA-N 0 0 194.230 1.303 10 0 ADAERN [NH3+]C[C@H](F)COc1ccc(O)cc1 257836237 573596836 /nfs/dbraw/zinc/59/68/36/573596836.db2.gz LABKEZGEGKNKNS-ZETCQYMHSA-N 0 0 185.198 1.068 10 0 ADAERN C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ncc[nH]1 124709190 573596661 /nfs/dbraw/zinc/59/66/61/573596661.db2.gz SZULNSAKBSLLTG-CIUDSAMLSA-N 0 0 195.266 1.238 10 0 ADAERN O=C(c1ccoc1)[C@@H]1CCCO1 83710680 573596687 /nfs/dbraw/zinc/59/66/87/573596687.db2.gz ZWUFNTFHEGYTGC-QMMMGPOBSA-N 0 0 166.176 1.641 10 0 ADAERN O[C@H](c1cncc(F)c1)[C@H]1CCCO1 83711939 573596693 /nfs/dbraw/zinc/59/66/93/573596693.db2.gz DGHPJDIWEBSFLH-NXEZZACHSA-N 0 0 197.209 1.433 10 0 ADAERN CC(C)CN1CCc2oc(N)nc2C1 258816991 573596698 /nfs/dbraw/zinc/59/66/98/573596698.db2.gz OIJRDSJRTVZLRF-UHFFFAOYSA-N 0 0 195.266 1.271 10 0 ADAERN O=C(C1CCCC1)[C@@H]1CCCO1 83710864 573596699 /nfs/dbraw/zinc/59/66/99/573596699.db2.gz YUDHBIGXOFKQIB-VIFPVBQESA-N 0 0 168.236 1.925 10 0 ADAERN Cc1c(C[NH3+])ncc(C(F)F)c1F 238455139 573596707 /nfs/dbraw/zinc/59/67/07/573596707.db2.gz JDCVBJZCOCSYMV-UHFFFAOYSA-N 0 0 190.168 1.925 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2CCCO2)cn1 83710793 573596714 /nfs/dbraw/zinc/59/67/14/573596714.db2.gz XKIQIACAZNKBOH-JTQLQIEISA-N 0 0 191.230 1.752 10 0 ADAERN Cc1c(C(F)F)ncc(F)c1CO 238456365 573596731 /nfs/dbraw/zinc/59/67/31/573596731.db2.gz KWMDKGVHDWTYKQ-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN OCCc1scnc1Cl 84236384 573596735 /nfs/dbraw/zinc/59/67/35/573596735.db2.gz OHBJUAQGBNDRSZ-UHFFFAOYSA-N 0 0 163.629 1.331 10 0 ADAERN C[C@]1(CO)COc2ccccc2S1 238455397 573596739 /nfs/dbraw/zinc/59/67/39/573596739.db2.gz RXXUTGKTACPISJ-JTQLQIEISA-N 0 0 196.271 1.922 10 0 ADAERN C[C@]1(CO)Oc2ccccc2C1=O 238455981 573596759 /nfs/dbraw/zinc/59/67/59/573596759.db2.gz UFVQUGHXXPGSGF-SNVBAGLBSA-N 0 0 178.187 1.013 10 0 ADAERN C[C@H]1[C@@H](C)C(=O)CC(=O)C1(C)C 238455497 573596789 /nfs/dbraw/zinc/59/67/89/573596789.db2.gz WVRCLHRBZRYLLO-RQJHMYQMSA-N 0 0 168.236 1.827 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccccc2)C(=O)O1 238455199 573596804 /nfs/dbraw/zinc/59/68/04/573596804.db2.gz MQHARNUWMTUFDE-SCZZXKLOSA-N 0 0 191.230 1.263 10 0 ADAERN CC(=O)[C@@]1(Br)C[C@@H]1C 238456196 573596808 /nfs/dbraw/zinc/59/68/08/573596808.db2.gz PJIPBDUUBURDEO-UJURSFKZSA-N 0 0 177.041 1.749 10 0 ADAERN O[C@@H](c1ccsc1)[C@H]1CCCO1 83711617 573597807 /nfs/dbraw/zinc/59/78/07/573597807.db2.gz YYGOCOMUWJNZRE-BDAKNGLRSA-N 0 0 184.260 1.961 10 0 ADAERN Nc1ccccc1[C@H]1CC[C@@H](O)C1 259523183 573597808 /nfs/dbraw/zinc/59/78/08/573597808.db2.gz AJXSCXIDMVBNFJ-DTWKUNHWSA-N 0 0 177.247 1.897 10 0 ADAERN O=CNc1ccsc1 78730441 573597821 /nfs/dbraw/zinc/59/78/21/573597821.db2.gz VFVKYXLBGMFNMB-UHFFFAOYSA-N 0 0 127.168 1.316 10 0 ADAERN O=C(C1CCOCC1)[C@H]1CCCO1 83710800 573597830 /nfs/dbraw/zinc/59/78/30/573597830.db2.gz HCQWPCHEABBVFV-SECBINFHSA-N 0 0 184.235 1.161 10 0 ADAERN C[C@@H]1CCC[C@@H](NC=O)C1 78731205 573597831 /nfs/dbraw/zinc/59/78/31/573597831.db2.gz FGICUYIIVQPFGM-HTQZYQBOSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@H]1c2ccncc2C[C@@H]1O 238445872 573597552 /nfs/dbraw/zinc/59/75/52/573597552.db2.gz WPVFTFDSKREJTP-RCOVLWMOSA-N 0 0 149.193 1.102 10 0 ADAERN Cc1c(C=O)cccc1CO 238457097 573597593 /nfs/dbraw/zinc/59/75/93/573597593.db2.gz CKHQEJVTQSRLJW-UHFFFAOYSA-N 0 0 150.177 1.300 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H]1CCCO1 83711800 573597600 /nfs/dbraw/zinc/59/76/00/573597600.db2.gz WBPSCVHUDMDBGX-JGVFFNPUSA-N 0 0 158.241 1.572 10 0 ADAERN NOC[C@H]1CSc2cccc(O)c21 258070638 573597604 /nfs/dbraw/zinc/59/76/04/573597604.db2.gz MHKVQMQWYKQJET-LURJTMIESA-N 0 0 197.259 1.472 10 0 ADAERN O[C@@H](Cc1cccs1)[C@@H]1CCCO1 83711807 573597606 /nfs/dbraw/zinc/59/76/06/573597606.db2.gz OFHMQKKOPBCFBM-UWVGGRQHSA-N 0 0 198.287 1.831 10 0 ADAERN C[C@@H]1CN[C@H](c2ccccc2)C(=O)O1 238456607 573597609 /nfs/dbraw/zinc/59/76/09/573597609.db2.gz MQHARNUWMTUFDE-PSASIEDQSA-N 0 0 191.230 1.263 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CCCO1 83710668 573597624 /nfs/dbraw/zinc/59/76/24/573597624.db2.gz BLINJJFXHXOLQH-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN CC1(NC=O)CCCCC1 78730413 573597661 /nfs/dbraw/zinc/59/76/61/573597661.db2.gz VYSXSWBSWQZKSY-UHFFFAOYSA-N 0 0 141.214 1.455 10 0 ADAERN NCC(=O)c1scc2c1CCC2 82395669 573597690 /nfs/dbraw/zinc/59/76/90/573597690.db2.gz NNVIHZUPOAKUIE-UHFFFAOYSA-N 0 0 181.260 1.378 10 0 ADAERN C[C@H]1CC(=O)N(c2cccc(N)c2)O1 257835919 573597693 /nfs/dbraw/zinc/59/76/93/573597693.db2.gz KQOOIAMTIOKTMK-ZETCQYMHSA-N 0 0 192.218 1.326 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H]2C(=O)CCC[C@@H]12 238456470 573597773 /nfs/dbraw/zinc/59/77/73/573597773.db2.gz KOWBSMMJPJETIH-KKHAAJSZSA-N 0 0 168.236 1.373 10 0 ADAERN O[C@H](Cc1ccccc1)[C@@H]1CCCO1 83711265 573597704 /nfs/dbraw/zinc/59/77/04/573597704.db2.gz VTTAHPKMGUFXGS-NEPJUHHUSA-N 0 0 192.258 1.769 10 0 ADAERN CC(C)[C@@H](O)[C@H]1CCCO1 83711261 573597709 /nfs/dbraw/zinc/59/77/09/573597709.db2.gz KQVYEXTYADJAFA-HTQZYQBOSA-N 0 0 144.214 1.182 10 0 ADAERN O=C(c1cccnc1)[C@H]1CCCO1 83710767 573597716 /nfs/dbraw/zinc/59/77/16/573597716.db2.gz APISUDCHXGVRQK-SECBINFHSA-N 0 0 177.203 1.443 10 0 ADAERN O[C@H](c1cncc(F)c1)[C@@H]1CCCO1 83711935 573597725 /nfs/dbraw/zinc/59/77/25/573597725.db2.gz DGHPJDIWEBSFLH-VHSXEESVSA-N 0 0 197.209 1.433 10 0 ADAERN C[C@]1(C[C@@H]2CO2)CCCCC1=O 238456497 573597734 /nfs/dbraw/zinc/59/77/34/573597734.db2.gz STVDTXSGRHVVSL-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1ccc([C@@H](O)[C@H]2CCCO2)cn1 83711678 573599019 /nfs/dbraw/zinc/59/90/19/573599019.db2.gz GPIQEEMVXFDWRF-GHMZBOCLSA-N 0 0 193.246 1.602 10 0 ADAERN COc1cccc(C[C@H](F)CO)c1 257836190 573599063 /nfs/dbraw/zinc/59/90/63/573599063.db2.gz KZBJUEFSSKDXTM-VIFPVBQESA-N 0 0 184.210 1.568 10 0 ADAERN CC(C)CC(=O)[C@H]1CCCO1 83710687 573599065 /nfs/dbraw/zinc/59/90/65/573599065.db2.gz QWXZWCISODGLKN-SECBINFHSA-N 0 0 156.225 1.781 10 0 ADAERN O[C@@H](C1CCCC1)[C@H]1CCCO1 83711338 573599093 /nfs/dbraw/zinc/59/90/93/573599093.db2.gz TVWBYYJNSQPFFM-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN NNc1csc(-c2cccnc2)n1 259137321 573598773 /nfs/dbraw/zinc/59/87/73/573598773.db2.gz CRGYPGPVBUGHCQ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cn(C)nc1-c1cocc1C=O 75525752 573598779 /nfs/dbraw/zinc/59/87/79/573598779.db2.gz JGHZUQPHEQXPGG-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Cc1c(CO)cnc(N)c1C(F)F 238457677 573598785 /nfs/dbraw/zinc/59/87/85/573598785.db2.gz NNLKVACPKLIMJI-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN O=C([O-])c1scnc1[C@@H]1CCC[NH2+]1 257836121 573598797 /nfs/dbraw/zinc/59/87/97/573598797.db2.gz ALYJTZUJAGIOJD-YFKPBYRVSA-N 0 0 198.247 1.266 10 0 ADAERN CC(=O)O[C@@H]1CCC(=O)[C@H](C)C1 238456750 573598804 /nfs/dbraw/zinc/59/88/04/573598804.db2.gz ZQOCZAZUZJQPOD-HTRCEHHLSA-N 0 0 170.208 1.307 10 0 ADAERN CC[C@@H](O)Cn1cnc(C(C)(C)C)n1 308646216 573598841 /nfs/dbraw/zinc/59/88/41/573598841.db2.gz HMOFRTVJWFSRDM-MRVPVSSYSA-N 0 0 197.282 1.347 10 0 ADAERN O[C@H]1CCSC[C@H]1CCF 259523519 573598863 /nfs/dbraw/zinc/59/88/63/573598863.db2.gz ANILXOWVLLHRGF-RQJHMYQMSA-N 0 0 164.245 1.460 10 0 ADAERN Cc1ccc(C(=O)C2(N)CC2)o1 259137890 573598874 /nfs/dbraw/zinc/59/88/74/573598874.db2.gz NAURMVYXWHXDQK-UHFFFAOYSA-N 0 0 165.192 1.262 10 0 ADAERN CC(C)[C@H](O)[C@H]1CCCO1 83711259 573598893 /nfs/dbraw/zinc/59/88/93/573598893.db2.gz KQVYEXTYADJAFA-SFYZADRCSA-N 0 0 144.214 1.182 10 0 ADAERN CCN1Cc2cc(N)c(OC)nc2C1 257835984 573598904 /nfs/dbraw/zinc/59/89/04/573598904.db2.gz KRRXVVRKRCNEDB-UHFFFAOYSA-N 0 0 193.250 1.008 10 0 ADAERN O[C@@H](C1CC1)[C@@H]1CCc2cccnc21 86735161 573598906 /nfs/dbraw/zinc/59/89/06/573598906.db2.gz ZEXVNMLVSBKATG-PWSUYJOCSA-N 0 0 189.258 1.882 10 0 ADAERN O=C(CC1CCOCC1)[C@H]1CCCO1 83710742 573598922 /nfs/dbraw/zinc/59/89/22/573598922.db2.gz KPTZWMPRYVIFBD-LLVKDONJSA-N 0 0 198.262 1.551 10 0 ADAERN Nc1nncc(C2CCCCCC2)n1 257835937 573598932 /nfs/dbraw/zinc/59/89/32/573598932.db2.gz KQZNZIYQNOANAJ-UHFFFAOYSA-N 0 0 192.266 1.892 10 0 ADAERN CCn1cc(C(=O)[C@H]2CCCO2)cn1 83710709 573598950 /nfs/dbraw/zinc/59/89/50/573598950.db2.gz XUJXTEQOOFHJDQ-SECBINFHSA-N 0 0 194.234 1.265 10 0 ADAERN C=CC(=O)N1CCC[C@H]2CCC[C@H]21 83700083 573598958 /nfs/dbraw/zinc/59/89/58/573598958.db2.gz AFFZKVAULBCMCJ-NXEZZACHSA-N 0 0 179.263 1.964 10 0 ADAERN O=C1CCc2c(O)cccc2C12CC2 259137536 573598962 /nfs/dbraw/zinc/59/89/62/573598962.db2.gz GJBOIWJEOZYZKJ-UHFFFAOYSA-N 0 0 188.226 1.939 10 0 ADAERN CCn1ccnc1[C@H](O)[C@@H]1CCCO1 83711431 573598965 /nfs/dbraw/zinc/59/89/65/573598965.db2.gz BMPTVXGGRHUDHK-DTWKUNHWSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1ccc(CC2(CO)COC2)cc1 259138771 573599947 /nfs/dbraw/zinc/59/99/47/573599947.db2.gz CSRYWHNZLLJYSZ-UHFFFAOYSA-N 0 0 192.258 1.546 10 0 ADAERN O[C@@H](C1CCCC1)[C@@H]1CCCO1 83711336 573600440 /nfs/dbraw/zinc/60/04/40/573600440.db2.gz TVWBYYJNSQPFFM-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN COC(=O)C/C=C\c1ccncc1 258070637 573599817 /nfs/dbraw/zinc/59/98/17/573599817.db2.gz FGDJLGSOMUPQJV-IHWYPQMZSA-N 0 0 177.203 1.658 10 0 ADAERN C[C@@]1(Cl)C(=O)[C@@H]2CC=C[C@@H]21 238457533 573599827 /nfs/dbraw/zinc/59/98/27/573599827.db2.gz AISYUXKCBFWCFE-CHKWXVPMSA-N 0 0 156.612 1.759 10 0 ADAERN CCOC[C@](C)(O)c1ccc(O)cc1 215449725 573599857 /nfs/dbraw/zinc/59/98/57/573599857.db2.gz WZERTLSJCDKONG-NSHDSACASA-N 0 0 196.246 1.636 10 0 ADAERN CCCn1ncc(OC)c1Cl 258816869 573599868 /nfs/dbraw/zinc/59/98/68/573599868.db2.gz YMSKDCFFJLOHPY-UHFFFAOYSA-N 0 0 174.631 1.955 10 0 ADAERN CC(C)C[C@@H](O)[C@@H]1CCCO1 83711312 573600013 /nfs/dbraw/zinc/60/00/13/573600013.db2.gz WRBJLLBJZPUEAV-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN [NH3+]C[C@@H](F)COc1ccc(O)cc1 257836235 573599887 /nfs/dbraw/zinc/59/98/87/573599887.db2.gz LABKEZGEGKNKNS-SSDOTTSWSA-N 0 0 185.198 1.068 10 0 ADAERN CCc1cc(=O)[nH]c([C@H]2CCCO2)n1 83710582 573599898 /nfs/dbraw/zinc/59/98/98/573599898.db2.gz LTLPHOUFWUDUHU-MRVPVSSYSA-N 0 0 194.234 1.184 10 0 ADAERN C[C@H]1CCC[C@H](NC=O)C1 78731202 573599899 /nfs/dbraw/zinc/59/98/99/573599899.db2.gz FGICUYIIVQPFGM-YUMQZZPRSA-N 0 0 141.214 1.311 10 0 ADAERN CCc1cc(C=O)oc1C 75525988 573599915 /nfs/dbraw/zinc/59/99/15/573599915.db2.gz ZKJZGOKWYQGPMQ-UHFFFAOYSA-N 0 0 138.166 1.963 10 0 ADAERN O=C(c1cncc(F)c1)[C@H]1CCCO1 83710963 573599972 /nfs/dbraw/zinc/59/99/72/573599972.db2.gz KQPZOETZBORCSA-SECBINFHSA-N 0 0 195.193 1.582 10 0 ADAERN COC[C@H](O)[C@@H]1CCc2cccnc21 86736141 573599989 /nfs/dbraw/zinc/59/99/89/573599989.db2.gz ULMFPAPPJYYRES-UWVGGRQHSA-N 0 0 193.246 1.119 10 0 ADAERN CC(C)[C@@H](O)[C@@H]1CCCO1 83711258 573600002 /nfs/dbraw/zinc/60/00/02/573600002.db2.gz KQVYEXTYADJAFA-JGVFFNPUSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1cc(N)ncc1[C@@H]1CCCC1=O 238457539 573600008 /nfs/dbraw/zinc/60/00/08/573600008.db2.gz DNFAJAZJMXUMKM-QMMMGPOBSA-N 0 0 190.246 1.809 10 0 ADAERN C[C@H]1CNc2c(CO)cccc2C1 238445889 573600033 /nfs/dbraw/zinc/60/00/33/573600033.db2.gz YTAYZJVHMZJZQW-MRVPVSSYSA-N 0 0 177.247 1.783 10 0 ADAERN Nc1ccc(F)c2cnoc12 259524066 573600064 /nfs/dbraw/zinc/60/00/64/573600064.db2.gz QTYQHIUPUKJMDK-UHFFFAOYSA-N 0 0 152.128 1.549 10 0 ADAERN C[C@@H](O)[C@@H]1CCc2cccnc21 86735242 573600074 /nfs/dbraw/zinc/60/00/74/573600074.db2.gz MSBIZKNOJSEADO-APPZFPTMSA-N 0 0 163.220 1.492 10 0 ADAERN O[C@@H](Cc1ccsc1)[C@H]1CCCO1 83711550 573600082 /nfs/dbraw/zinc/60/00/82/573600082.db2.gz QGAQZIGBTBLIOZ-VHSXEESVSA-N 0 0 198.287 1.831 10 0 ADAERN CCc1ccc(C=O)nc1OC 223172565 573600094 /nfs/dbraw/zinc/60/00/94/573600094.db2.gz VEOYHTHQKFLCJC-UHFFFAOYSA-N 0 0 165.192 1.465 10 0 ADAERN C[Si](C)(CO)c1cccs1 238456778 573600097 /nfs/dbraw/zinc/60/00/97/573600097.db2.gz QHIWDYWFBFNURE-UHFFFAOYSA-N 0 0 172.325 1.195 10 0 ADAERN O[C@H](c1ccsc1)[C@@H]1CCCO1 83711615 573600112 /nfs/dbraw/zinc/60/01/12/573600112.db2.gz YYGOCOMUWJNZRE-DTWKUNHWSA-N 0 0 184.260 1.961 10 0 ADAERN C[C@]1(O)CCN(c2ccc(O)cc2)C1 259523411 573600146 /nfs/dbraw/zinc/60/01/46/573600146.db2.gz ALSSQKHANZTKID-NSHDSACASA-N 0 0 193.246 1.353 10 0 ADAERN CC[C@@H](O)[C@@H]1CCc2cccnc21 86735263 573600153 /nfs/dbraw/zinc/60/01/53/573600153.db2.gz NSOKIDODCJHVRI-VHSXEESVSA-N 0 0 177.247 1.882 10 0 ADAERN CC(C)CCCNC=O 78731119 573600162 /nfs/dbraw/zinc/60/01/62/573600162.db2.gz LMLMXIWHWBZEGF-UHFFFAOYSA-N 0 0 129.203 1.169 10 0 ADAERN O[C@H]1CCSC[C@@H]1CCF 259523514 573600208 /nfs/dbraw/zinc/60/02/08/573600208.db2.gz ANILXOWVLLHRGF-BQBZGAKWSA-N 0 0 164.245 1.460 10 0 ADAERN CCC(CC)[C@@H]1CC(=O)N1 78730968 573600211 /nfs/dbraw/zinc/60/02/11/573600211.db2.gz FMVIJZWROYOQNA-ZETCQYMHSA-N 0 0 141.214 1.311 10 0 ADAERN Cc1ccc(C)c2c1OC(=O)[C@@H]2O 238457632 573600221 /nfs/dbraw/zinc/60/02/21/573600221.db2.gz CAMVKHNAUNTMEQ-MRVPVSSYSA-N 0 0 178.187 1.256 10 0 ADAERN CCn1nccc1[C@@H](O)[C@@H]1CCCO1 83711689 573600247 /nfs/dbraw/zinc/60/02/47/573600247.db2.gz SWDYWPKCTUSDAP-VHSXEESVSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@]1(Cl)C2(CC2)[C@@]12C[C@@H]2CO 238457285 573600253 /nfs/dbraw/zinc/60/02/53/573600253.db2.gz XBABQPGOUVWARC-BKPPORCPSA-N 0 0 172.655 1.776 10 0 ADAERN C/C=C\COCC(OCC)OCC 215395393 573600261 /nfs/dbraw/zinc/60/02/61/573600261.db2.gz YWVKTTMMGCGLSW-DAXSKMNVSA-N 0 0 188.267 1.978 10 0 ADAERN O[C@H](C1CCCC1)[C@H]1CCCO1 83711340 573600281 /nfs/dbraw/zinc/60/02/81/573600281.db2.gz TVWBYYJNSQPFFM-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@@H](CO)CN1CCC(F)(F)C1 259524169 573600286 /nfs/dbraw/zinc/60/02/86/573600286.db2.gz PVLCREWMDFCPRL-MRVPVSSYSA-N 0 0 193.237 1.346 10 0 ADAERN O[C@@H]1CCC[C@@H](Oc2cnccn2)C1 259523251 573600310 /nfs/dbraw/zinc/60/03/10/573600310.db2.gz LAEDPYAPMGQLEM-RKDXNWHRSA-N 0 0 194.234 1.159 10 0 ADAERN C[C@@]1([C@H]2CCSC2)CCC(=O)N1 257835690 573600339 /nfs/dbraw/zinc/60/03/39/573600339.db2.gz KXFZEDWWCQGABM-CBAPKCEASA-N 0 0 185.292 1.408 10 0 ADAERN O=CN1CCC[C@H]2CCC[C@H]21 83702652 573600343 /nfs/dbraw/zinc/60/03/43/573600343.db2.gz RNFCBFLNPWDEHR-RKDXNWHRSA-N 0 0 153.225 1.407 10 0 ADAERN C[C@@H]1CNc2cc(N(C)C)ccc2N1 238457670 573600354 /nfs/dbraw/zinc/60/03/54/573600354.db2.gz FUZWRHWOEOQKBG-MRVPVSSYSA-N 0 0 191.278 1.979 10 0 ADAERN CCCC(=O)[C@H](CO)C(C)C 259137799 573600362 /nfs/dbraw/zinc/60/03/62/573600362.db2.gz MZCRUJSZVJSCNL-MRVPVSSYSA-N 0 0 158.241 1.620 10 0 ADAERN C[C@@]1(Cl)C(=O)[C@@H]2CCC[C@@H]21 238457654 573600383 /nfs/dbraw/zinc/60/03/83/573600383.db2.gz AHINAWGGGHIVDD-CHKWXVPMSA-N 0 0 158.628 1.983 10 0 ADAERN CCCC(=O)[C@@H](CO)C(C)C 259137801 573600390 /nfs/dbraw/zinc/60/03/90/573600390.db2.gz MZCRUJSZVJSCNL-QMMMGPOBSA-N 0 0 158.241 1.620 10 0 ADAERN CC(=O)c1c2c(nn1C)CSCC2 257835933 573600391 /nfs/dbraw/zinc/60/03/91/573600391.db2.gz KQWVWQVVFAAEOH-UHFFFAOYSA-N 0 0 196.275 1.412 10 0 ADAERN CC(C)(C)c1c(C=O)coc1N 75525874 573600403 /nfs/dbraw/zinc/60/04/03/573600403.db2.gz KEXREYARVUBCHQ-UHFFFAOYSA-N 0 0 167.208 1.972 10 0 ADAERN CCC(=O)NC[C@H](C)CC 78731064 573600860 /nfs/dbraw/zinc/60/08/60/573600860.db2.gz QAZPIVAWBRHUJF-SSDOTTSWSA-N 0 0 143.230 1.559 10 0 ADAERN NOC[C@@H]1CSc2cccc(O)c21 258070642 573600764 /nfs/dbraw/zinc/60/07/64/573600764.db2.gz MHKVQMQWYKQJET-ZCFIWIBFSA-N 0 0 197.259 1.472 10 0 ADAERN CC(C)[C@@H]1CC(=O)N[C@@H]1C 78730951 573600776 /nfs/dbraw/zinc/60/07/76/573600776.db2.gz ZFKUBZJYPBMDMD-RQJHMYQMSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1c(C=O)csc1N 75526198 573600777 /nfs/dbraw/zinc/60/07/77/573600777.db2.gz SFFYVEDPDKZPOM-UHFFFAOYSA-N 0 0 141.195 1.451 10 0 ADAERN O=C(CC1CC1)CC1OCCO1 236384155 573600785 /nfs/dbraw/zinc/60/07/85/573600785.db2.gz NZOHCTSUAUMVMB-UHFFFAOYSA-N 0 0 170.208 1.119 10 0 ADAERN C[C@H](NC=O)c1ccco1 78737668 573600795 /nfs/dbraw/zinc/60/07/95/573600795.db2.gz VHPUAVYNSORVTR-LURJTMIESA-N 0 0 139.154 1.087 10 0 ADAERN C[C@H](CC(N)=O)[Si](C)(C)C 238456534 573600805 /nfs/dbraw/zinc/60/08/05/573600805.db2.gz MZFGGMHOOZSTGU-ZCFIWIBFSA-N 0 0 159.305 1.590 10 0 ADAERN Cn1ccnc1CC(=O)c1ccco1 86750934 573600817 /nfs/dbraw/zinc/60/08/17/573600817.db2.gz XLOKZROBNYTYLP-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN Cc1c(C(F)F)c[nH]c(=O)c1CO 238456519 573600821 /nfs/dbraw/zinc/60/08/21/573600821.db2.gz BUMMQFFFICQHMA-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN Cc1c(CO)cnc(F)c1C(F)F 238457586 573600884 /nfs/dbraw/zinc/60/08/84/573600884.db2.gz FOTQVFDXSDUMEP-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN COCCCc1nc([C@H](C)O)co1 258071071 573600890 /nfs/dbraw/zinc/60/08/90/573600890.db2.gz QJJPQMSUYILKNF-ZETCQYMHSA-N 0 0 185.223 1.307 10 0 ADAERN C[C@@H]1c2ccccc2C[C@H]1C(N)=O 238456810 573600907 /nfs/dbraw/zinc/60/09/07/573600907.db2.gz PIYACFNOUBCPMY-GMSGAONNSA-N 0 0 175.231 1.448 10 0 ADAERN CCOC[C@@](C)(O)c1ccc(O)cc1 215449774 573600920 /nfs/dbraw/zinc/60/09/20/573600920.db2.gz WZERTLSJCDKONG-LLVKDONJSA-N 0 0 196.246 1.636 10 0 ADAERN CC[C@@H]1C[C@@H](CCC(=O)[O-])[N@H+](C)C1 238279561 573600969 /nfs/dbraw/zinc/60/09/69/573600969.db2.gz FOAZJXRQWZXINS-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[C@H]1CC(=O)N[C@H]1C 78730684 573600979 /nfs/dbraw/zinc/60/09/79/573600979.db2.gz UUALIQLYNNKQIM-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@H](O)[C@@H](C)O[C@@H]1CCCCO1 238456475 573600982 /nfs/dbraw/zinc/60/09/82/573600982.db2.gz IOWUYQJACNXIJR-DJLDLDEBSA-N 0 0 174.240 1.299 10 0 ADAERN CN[C@H](C(F)F)[C@]1(C)C[C@@H]1C 714719228 573601675 /nfs/dbraw/zinc/60/16/75/573601675.db2.gz JDBMALUHEQSMFH-SHYZEUOFSA-N 0 0 163.211 1.886 10 0 ADAERN NN[C@@H](CC1CCCC1)c1cn[nH]c1 308646578 573600995 /nfs/dbraw/zinc/60/09/95/573600995.db2.gz HRVRWAVEIOSRFI-JTQLQIEISA-N 0 0 194.282 1.494 10 0 ADAERN Cc1cccc2cc(CO)nn12 238456599 573600997 /nfs/dbraw/zinc/60/09/97/573600997.db2.gz FNLNOFLIOOZCOI-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cn1ccnc1CC(C)(C)C(=O)[O-] 86749141 573601040 /nfs/dbraw/zinc/60/10/40/573601040.db2.gz PISGSSLAQFNOMT-UHFFFAOYSA-N 0 0 182.223 1.073 10 0 ADAERN COC(=O)c1cnoc1Cl 259616210 573601061 /nfs/dbraw/zinc/60/10/61/573601061.db2.gz FKYPFAVWANCFFE-UHFFFAOYSA-N 0 0 161.544 1.115 10 0 ADAERN Nc1occ(C=O)c1-c1cn[nH]c1 75526048 573601050 /nfs/dbraw/zinc/60/10/50/573601050.db2.gz WDNSWSWDDGKQQX-UHFFFAOYSA-N 0 0 177.163 1.064 10 0 ADAERN C[C@H](O)[C@H]1CCCc2cccnc21 86735237 573601102 /nfs/dbraw/zinc/60/11/02/573601102.db2.gz RWGVTWLTRYATSA-WCBMZHEXSA-N 0 0 177.247 1.882 10 0 ADAERN Nc1occ(C=O)c1-c1ncco1 75526094 573601110 /nfs/dbraw/zinc/60/11/10/573601110.db2.gz GEIOOHJMMQTDJS-UHFFFAOYSA-N 0 0 178.147 1.329 10 0 ADAERN CCC(CC)CNc1cc[nH+]c(N)n1 130562089 573601116 /nfs/dbraw/zinc/60/11/16/573601116.db2.gz PAJHQVHPZVVKFL-UHFFFAOYSA-N 0 0 194.282 1.907 10 0 ADAERN Nc1nc(Cc2ccncc2)cs1 258814058 573601119 /nfs/dbraw/zinc/60/11/19/573601119.db2.gz OHAKKRGBXTYFOE-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN C[C@@H]1C(=O)[C@H]2CC(C)(C)[C@@H]1O2 238445884 573601124 /nfs/dbraw/zinc/60/11/24/573601124.db2.gz MNFDQOKQMAEUMD-ATRFCDNQSA-N 0 0 154.209 1.389 10 0 ADAERN C[C@@H]1CC[C@@H]2[C@@H](C[NH2+]C[C@@H]2C(=O)[O-])C1 238445813 573601130 /nfs/dbraw/zinc/60/11/30/573601130.db2.gz ONJYCZOMDSUYHK-KYXWUPHJSA-N 0 0 197.278 1.343 10 0 ADAERN Nc1occ(C=O)c1-c1cnoc1 75526042 573601146 /nfs/dbraw/zinc/60/11/46/573601146.db2.gz PXMNEACTYFVNST-UHFFFAOYSA-N 0 0 178.147 1.329 10 0 ADAERN CC(C)C(=O)N1CC(=O)CCC1(C)C 259139529 573601191 /nfs/dbraw/zinc/60/11/91/573601191.db2.gz MFBNXJGVZLMTTD-UHFFFAOYSA-N 0 0 197.278 1.613 10 0 ADAERN O=NOc1ccccc1O 223165918 573601204 /nfs/dbraw/zinc/60/12/04/573601204.db2.gz WKXVXMQJZVQJOZ-UHFFFAOYSA-N 0 0 139.110 1.452 10 0 ADAERN O=C1C[C@@H]2CNc3ccccc3[C@@H]2N1 224390696 573601216 /nfs/dbraw/zinc/60/12/16/573601216.db2.gz YTSHXKLXUANLGQ-RDDDGLTNSA-N 0 0 188.230 1.289 10 0 ADAERN CC(C)C[C@H]1[C@H](C(C)(C)O)[C@@H]1CO 393540388 573601217 /nfs/dbraw/zinc/60/12/17/573601217.db2.gz XJLYGSLNMPAPBW-BBBLOLIVSA-N 0 0 186.295 1.658 10 0 ADAERN Cc1cc2c(o1)[C@@]([NH3+])(C(=O)[O-])CCC2 107428932 573601220 /nfs/dbraw/zinc/60/12/20/573601220.db2.gz BBNHOSXDRLDUNL-SNVBAGLBSA-N 0 0 195.218 1.163 10 0 ADAERN CC[C@H](O)[C@H]1CCc2cccnc21 86735264 573601221 /nfs/dbraw/zinc/60/12/21/573601221.db2.gz NSOKIDODCJHVRI-ZJUUUORDSA-N 0 0 177.247 1.882 10 0 ADAERN COc1ccc(C2([NH3+])COC2)cc1C 258502704 573601224 /nfs/dbraw/zinc/60/12/24/573601224.db2.gz FDNYXZCJYJRHSZ-UHFFFAOYSA-N 0 0 193.246 1.188 10 0 ADAERN Nc1c(Cl)nnc2ccccc12 224398274 573601228 /nfs/dbraw/zinc/60/12/28/573601228.db2.gz YGBOZCINUXFOBC-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN c1cncc(Oc2cnoc2)c1 258817516 573601246 /nfs/dbraw/zinc/60/12/46/573601246.db2.gz YPCYBLZLWLLAPA-UHFFFAOYSA-N 0 0 162.148 1.862 10 0 ADAERN Cc1cc(N)ncc1C(F)F 238456906 573601249 /nfs/dbraw/zinc/60/12/49/573601249.db2.gz MOPDNCNZUMCWMM-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CCn1nccc1C(=O)[C@@H]1CCOC1 83716071 573601287 /nfs/dbraw/zinc/60/12/87/573601287.db2.gz NYZAERUQSOLMPK-MRVPVSSYSA-N 0 0 194.234 1.122 10 0 ADAERN CC(C)[C@H]1CC(=O)N[C@H]1C 78730964 573601289 /nfs/dbraw/zinc/60/12/89/573601289.db2.gz ZFKUBZJYPBMDMD-NKWVEPMBSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1cccc2c1O[C@H](O)C2 238445909 573601323 /nfs/dbraw/zinc/60/13/23/573601323.db2.gz LGUVIWLQXPXALH-QMMMGPOBSA-N 0 0 150.177 1.248 10 0 ADAERN C[C@H]1[C@H](CO)CCN1c1ccccc1 259525054 573601340 /nfs/dbraw/zinc/60/13/40/573601340.db2.gz VNXBJDPIGMRKQV-QWRGUYRKSA-N 0 0 191.274 1.894 10 0 ADAERN CCc1cc(CC)n([C@H](C)C(N)=O)n1 130495402 573601696 /nfs/dbraw/zinc/60/16/96/573601696.db2.gz BONABCLJHAINNK-SSDOTTSWSA-N 0 0 195.266 1.054 10 0 ADAERN Cc1nc([C@H](C)[C@H](C)O)nc(N)c1C 238457194 573601358 /nfs/dbraw/zinc/60/13/58/573601358.db2.gz IDUWXFHYUXZNAK-SVRRBLITSA-N 0 0 195.266 1.160 10 0 ADAERN C[C@@H]1Cc2ccc(CCO)cc2N1 258070703 573601363 /nfs/dbraw/zinc/60/13/63/573601363.db2.gz MHZFJYAYXWZRPS-MRVPVSSYSA-N 0 0 177.247 1.578 10 0 ADAERN Cc1cc(CO)nc([C@@H]2CCCO2)n1 83714905 573601385 /nfs/dbraw/zinc/60/13/85/573601385.db2.gz BKZPLHNDXBSNRU-VIFPVBQESA-N 0 0 194.234 1.129 10 0 ADAERN CCc1oc(N)nc1C(C)=O 258813960 573601406 /nfs/dbraw/zinc/60/14/06/573601406.db2.gz OGCMSLDLSNATMZ-UHFFFAOYSA-N 0 0 154.169 1.022 10 0 ADAERN C[C@@]12NC(=O)C[C@H]1SCCS2 238457234 573601433 /nfs/dbraw/zinc/60/14/33/573601433.db2.gz NXJQXONJGYUTHC-VDTYLAMSSA-N 0 0 189.305 1.071 10 0 ADAERN Cc1nc([C@H]2CCCO2)nc(N)c1C 83714593 573601442 /nfs/dbraw/zinc/60/14/42/573601442.db2.gz VXWCQHUAGHJIBZ-MRVPVSSYSA-N 0 0 193.250 1.527 10 0 ADAERN O=Cc1ccnc([C@@H]2CCCO2)n1 83714803 573601450 /nfs/dbraw/zinc/60/14/50/573601450.db2.gz HMTIDBSOLFLHCD-QMMMGPOBSA-N 0 0 178.191 1.141 10 0 ADAERN COc1nncc(C(F)(F)F)c1N 258071668 573601704 /nfs/dbraw/zinc/60/17/04/573601704.db2.gz VWLUADJJKKCLFU-UHFFFAOYSA-N 0 0 193.128 1.086 10 0 ADAERN CCOC(=O)c1noc(C)c1N(C)C 259525610 573601468 /nfs/dbraw/zinc/60/14/68/573601468.db2.gz XVRUWUKXCBDMKM-UHFFFAOYSA-N 0 0 198.222 1.226 10 0 ADAERN C/C=C/[C@@H]1O[C@@H](C)CC(=O)[C@H]1C 224386165 573601475 /nfs/dbraw/zinc/60/14/75/573601475.db2.gz LDNMCQCOIBUAPC-XCPMLMSESA-N 0 0 168.236 1.945 10 0 ADAERN C1C[C@@H](c2noc(NC3CC3)n2)CO1 83718054 573601499 /nfs/dbraw/zinc/60/14/99/573601499.db2.gz CHQXWHUXQMHKNO-ZCFIWIBFSA-N 0 0 195.222 1.148 10 0 ADAERN CCc1c(C)cncc1N 107454716 573612226 /nfs/dbraw/zinc/61/22/26/573612226.db2.gz IUVWWPWXAKWEET-UHFFFAOYSA-N 0 0 136.198 1.535 10 0 ADAERN COC1(c2ccc(CON)cc2)CC1 259525893 573601559 /nfs/dbraw/zinc/60/15/59/573601559.db2.gz SZEZWJDCMZTJNI-UHFFFAOYSA-N 0 0 193.246 1.712 10 0 ADAERN CC(C)[C@@H]1CSCCC(=O)N1 257836301 573601561 /nfs/dbraw/zinc/60/15/61/573601561.db2.gz LBNHUJJNBPNNNC-ZETCQYMHSA-N 0 0 173.281 1.264 10 0 ADAERN C[C@@H]1[C@H](CO)CC(=O)N1C(C)(C)C 259525161 573601576 /nfs/dbraw/zinc/60/15/76/573601576.db2.gz VONBDSDHFHGMBE-SFYZADRCSA-N 0 0 185.267 1.014 10 0 ADAERN Nc1nnc(NCC2(C3CC3)CC2)o1 236395873 573601596 /nfs/dbraw/zinc/60/15/96/573601596.db2.gz DXBWHHTZJRFINR-UHFFFAOYSA-N 0 0 194.238 1.254 10 0 ADAERN CCNc1ccnc([C@H]2CCCO2)n1 83714639 573601597 /nfs/dbraw/zinc/60/15/97/573601597.db2.gz SNNUWMXIVOQEJU-MRVPVSSYSA-N 0 0 193.250 1.760 10 0 ADAERN CNc1cc(C)nc([C@@H]2CCCO2)n1 83714599 573601611 /nfs/dbraw/zinc/60/16/11/573601611.db2.gz FUFUEAXIFZWBFM-QMMMGPOBSA-N 0 0 193.250 1.678 10 0 ADAERN COc1ccc(SC=O)c(OC)c1 259138059 573601647 /nfs/dbraw/zinc/60/16/47/573601647.db2.gz DJPMVTYNILTJRO-UHFFFAOYSA-N 0 0 198.243 1.986 10 0 ADAERN C[C@@H]1[C@H](CO)CCN1c1ccccc1 259525051 573601652 /nfs/dbraw/zinc/60/16/52/573601652.db2.gz VNXBJDPIGMRKQV-MNOVXSKESA-N 0 0 191.274 1.894 10 0 ADAERN Cc1[nH]c(C(C)C)nc1C=O 75539582 573601655 /nfs/dbraw/zinc/60/16/55/573601655.db2.gz NZVNALQAPULNDI-UHFFFAOYSA-N 0 0 152.197 1.654 10 0 ADAERN CC(=O)c1nc([C@@H]2CCCO2)no1 83715104 573601661 /nfs/dbraw/zinc/60/16/61/573601661.db2.gz BSMNFXKTQKTSHL-LURJTMIESA-N 0 0 182.179 1.124 10 0 ADAERN C[C@@H]1c2ccccc2O[C@H]1C(N)=O 238456838 573601676 /nfs/dbraw/zinc/60/16/76/573601676.db2.gz KWWBEFAJLOIWNZ-HZGVNTEJSA-N 0 0 177.203 1.036 10 0 ADAERN COc1c(CO)ccc2c1C(=O)CC2 238446307 573603394 /nfs/dbraw/zinc/60/33/94/573603394.db2.gz BZTCPNKUOSEFGK-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN NCc1nc(-c2ccccc2F)co1 257836556 573603789 /nfs/dbraw/zinc/60/37/89/573603789.db2.gz KUBDJSQSOFUUCI-UHFFFAOYSA-N 0 0 192.193 1.939 10 0 ADAERN C[C@H](O)c1csc([C@H]2CCOC2)n1 83717973 573603790 /nfs/dbraw/zinc/60/37/90/573603790.db2.gz OLLGEQQUACRXQU-BQBZGAKWSA-N 0 0 199.275 1.700 10 0 ADAERN CCCCC(=O)[C@@H]1CCOC1 83716061 573602680 /nfs/dbraw/zinc/60/26/80/573602680.db2.gz NZGGYDAXHDWBMC-MRVPVSSYSA-N 0 0 156.225 1.782 10 0 ADAERN CCOC(=N)[C@@H]1CCCO1 83714305 573602694 /nfs/dbraw/zinc/60/26/94/573602694.db2.gz YDXRRUJLKUZOIZ-LURJTMIESA-N 0 0 143.186 1.179 10 0 ADAERN CCc1ccc(C[C@@H](C)O)nc1 86735230 573602695 /nfs/dbraw/zinc/60/26/95/573602695.db2.gz GTGYTFKTFRKLTJ-MRVPVSSYSA-N 0 0 165.236 1.567 10 0 ADAERN CS[C@H]1CC[C@@H]1CO 257836434 573602716 /nfs/dbraw/zinc/60/27/16/573602716.db2.gz MFFJYXAQSRUEIG-RITPCOANSA-N 0 0 132.228 1.120 10 0 ADAERN C[C@H]1CC(=O)[C@@H](C(C)(C)O)C1 238447308 573602727 /nfs/dbraw/zinc/60/27/27/573602727.db2.gz OSKISKJOIFBXCR-RQJHMYQMSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@]12CC[C@@H](O)C=C1CCCC2=O 238446357 573602731 /nfs/dbraw/zinc/60/27/31/573602731.db2.gz HAHIBWIQFMLKLJ-MWLCHTKSSA-N 0 0 180.247 1.827 10 0 ADAERN C[Si](C)(C)[C@@H]1CC[C@@H]1O 238446283 573602764 /nfs/dbraw/zinc/60/27/64/573602764.db2.gz RZWZPCLAGYZJCJ-NKWVEPMBSA-N 0 0 144.290 1.850 10 0 ADAERN Cc1nc(Cl)nc2c1N[C@@H](C)CN2 238446939 573602773 /nfs/dbraw/zinc/60/27/73/573602773.db2.gz IQUUNEPABVIXAV-BYPYZUCNSA-N 0 0 198.657 1.664 10 0 ADAERN O[C@@H](CC1CC1)[C@@H]1CCOC1 83716339 573602781 /nfs/dbraw/zinc/60/27/81/573602781.db2.gz NLMFDTAEDBZGPP-BDAKNGLRSA-N 0 0 156.225 1.184 10 0 ADAERN CC(C)c1nnn(C2CCC2)c1N 257836329 573602787 /nfs/dbraw/zinc/60/27/87/573602787.db2.gz LCGQVLNMEZPQFB-UHFFFAOYSA-N 0 0 180.255 1.709 10 0 ADAERN C[C@H]1CC[C@@H]([C@@]2(C)CO2)CC1=O 238446885 573602791 /nfs/dbraw/zinc/60/27/91/573602791.db2.gz QZMAEXOOJKMJHZ-QXFUBDJGSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@H](O)c1cnc([C@@H]2CCOC2)s1 83717963 573602792 /nfs/dbraw/zinc/60/27/92/573602792.db2.gz CQJYSHPYPIWRMI-NKWVEPMBSA-N 0 0 199.275 1.700 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCCCC12CCCC2 107433483 573602803 /nfs/dbraw/zinc/60/28/03/573602803.db2.gz KSTSNWXWJKYOBY-LLVKDONJSA-N 0 0 197.278 1.903 10 0 ADAERN CC(C)Nc1nc([C@H]2CCCO2)no1 83714780 573602807 /nfs/dbraw/zinc/60/28/07/573602807.db2.gz YECNUDBOJUZLDZ-SSDOTTSWSA-N 0 0 197.238 1.741 10 0 ADAERN CC(O)=CC(=O)C(F)(F)C(F)F 135849820 573602818 /nfs/dbraw/zinc/60/28/18/573602818.db2.gz CNUKMYIQXLCAAY-UHFFFAOYSA-N 0 0 186.104 1.435 10 0 ADAERN O=C(CC1CCOCC1)[C@H]1CCOC1 83716110 573602824 /nfs/dbraw/zinc/60/28/24/573602824.db2.gz IMXAXNCXYDJPTN-JTQLQIEISA-N 0 0 198.262 1.409 10 0 ADAERN Cc1cccc2c1CC[C@H](CO)N2 238447200 573602833 /nfs/dbraw/zinc/60/28/33/573602833.db2.gz OTRAZRWKCWCMAA-SECBINFHSA-N 0 0 177.247 1.714 10 0 ADAERN OCCC[C@H]1CCc2cccnc21 86738460 573602837 /nfs/dbraw/zinc/60/28/37/573602837.db2.gz PEIXSKPMRBBYHZ-JTQLQIEISA-N 0 0 177.247 1.884 10 0 ADAERN C[C@@H](c1coc(C(=O)[O-])c1)[NH+](C)C 257836295 573602885 /nfs/dbraw/zinc/60/28/85/573602885.db2.gz LBMUMMDGIWMJQK-LURJTMIESA-N 0 0 183.207 1.600 10 0 ADAERN COC[C@@H](O)[C@H]1CCc2cccnc21 86736146 573602886 /nfs/dbraw/zinc/60/28/86/573602886.db2.gz ULMFPAPPJYYRES-NXEZZACHSA-N 0 0 193.246 1.119 10 0 ADAERN O[C@@H](C1CC1)[C@H]1CCc2cccnc21 86735163 573602894 /nfs/dbraw/zinc/60/28/94/573602894.db2.gz ZEXVNMLVSBKATG-JQWIXIFHSA-N 0 0 189.258 1.882 10 0 ADAERN CC[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC1=O 715987692 573602907 /nfs/dbraw/zinc/60/29/07/573602907.db2.gz XQKKIQIUIAYLSX-VGMNWLOBSA-N 0 0 195.262 1.270 10 0 ADAERN CCNc1nc([C@@H]2CCCO2)no1 83714771 573602912 /nfs/dbraw/zinc/60/29/12/573602912.db2.gz CKVJWSFUCGLHKT-LURJTMIESA-N 0 0 183.211 1.353 10 0 ADAERN C/C=C\C[N@@H+]1CCC[C@H]1CCC(=O)[O-] 308647286 573602920 /nfs/dbraw/zinc/60/29/20/573602920.db2.gz IHDKSENCCKDJGO-ZMWSMAPVSA-N 0 0 197.278 1.892 10 0 ADAERN O=Cc1ccnc([C@H]2CCCO2)n1 83714805 573602922 /nfs/dbraw/zinc/60/29/22/573602922.db2.gz HMTIDBSOLFLHCD-MRVPVSSYSA-N 0 0 178.191 1.141 10 0 ADAERN C[C@@H](O)c1cnc([C@H]2CCOC2)s1 83717968 573602943 /nfs/dbraw/zinc/60/29/43/573602943.db2.gz CQJYSHPYPIWRMI-RQJHMYQMSA-N 0 0 199.275 1.700 10 0 ADAERN C[C@H]([NH3+])c1ccc2cnccc2n1 238446291 573602947 /nfs/dbraw/zinc/60/29/47/573602947.db2.gz WZLZNIIRXZZLJX-ZETCQYMHSA-N 0 0 173.219 1.650 10 0 ADAERN COCC(=O)[C@H]1CCc2cccnc21 86735859 573602950 /nfs/dbraw/zinc/60/29/50/573602950.db2.gz LMWBQQHITBBING-SECBINFHSA-N 0 0 191.230 1.327 10 0 ADAERN Cn1ccnc1CC(=O)c1ccoc1 86750979 573602957 /nfs/dbraw/zinc/60/29/57/573602957.db2.gz FTTYWKBBWXLWPO-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN C[C@H](O)c1cc(O)cc(O)c1 75540670 573602973 /nfs/dbraw/zinc/60/29/73/573602973.db2.gz CJIBYWACFWFBBW-YFKPBYRVSA-N 0 0 154.165 1.151 10 0 ADAERN CC(=O)CN1OC2(CCCC2)CC1=O 257836585 573602974 /nfs/dbraw/zinc/60/29/74/573602974.db2.gz KVPLELADAGRLPC-UHFFFAOYSA-N 0 0 197.234 1.052 10 0 ADAERN COc1nncc(C(C)(C)C)c1N 258071683 573603021 /nfs/dbraw/zinc/60/30/21/573603021.db2.gz VXHJFHHPSUJZOU-UHFFFAOYSA-N 0 0 181.239 1.365 10 0 ADAERN CCNc1nc([C@H]2CCCO2)ns1 83715468 573602990 /nfs/dbraw/zinc/60/29/90/573602990.db2.gz CZXJIJXZUBMFAN-ZCFIWIBFSA-N 0 0 199.279 1.821 10 0 ADAERN CC(=O)[C@@H]1CCc2cccnc21 86735794 573603000 /nfs/dbraw/zinc/60/30/00/573603000.db2.gz NGZSXKDXMICDOD-VIFPVBQESA-N 0 0 161.204 1.700 10 0 ADAERN Cc1cccc2c1O[C@@H](O)C2 238446343 573603028 /nfs/dbraw/zinc/60/30/28/573603028.db2.gz LGUVIWLQXPXALH-MRVPVSSYSA-N 0 0 150.177 1.248 10 0 ADAERN CCc1cccc(CNO)c1OC 258066880 573603043 /nfs/dbraw/zinc/60/30/43/573603043.db2.gz UAGPKKKLGIYAGF-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN CC[NH+]1CCC(C)(CC(=O)[O-])CC1 259525197 573603063 /nfs/dbraw/zinc/60/30/63/573603063.db2.gz VOWBHXXIPZFKOR-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN O[C@H]1COC[C@@H]1Cc1ccsc1 687970492 573603065 /nfs/dbraw/zinc/60/30/65/573603065.db2.gz SOLHMWBCWRWBRK-IUCAKERBSA-N 0 0 184.260 1.298 10 0 ADAERN CNc1ccnc([C@@H]2CCCO2)n1 83714634 573603067 /nfs/dbraw/zinc/60/30/67/573603067.db2.gz GYNYCZUGFXVZMD-ZETCQYMHSA-N 0 0 179.223 1.370 10 0 ADAERN ONCc1ccc2c(c1F)OCCO2 258071553 573603076 /nfs/dbraw/zinc/60/30/76/573603076.db2.gz ICCXFWAONJZYHN-UHFFFAOYSA-N 0 0 199.181 1.076 10 0 ADAERN O=C1CC=CC[C@@]2(O)CCC[C@@H]12 223192821 573606495 /nfs/dbraw/zinc/60/64/95/573606495.db2.gz FNZRGPGYVDMUNV-WCBMZHEXSA-N 0 0 166.220 1.437 10 0 ADAERN C[C@H](O)C[C@@H](C)C1(O)CCCC1 238446212 573603097 /nfs/dbraw/zinc/60/30/97/573603097.db2.gz ZRCOLVKLICKKHO-BDAKNGLRSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)Nc1nc([C@@H]2CCOC2)no1 83718051 573603121 /nfs/dbraw/zinc/60/31/21/573603121.db2.gz PSCDPGTUWBUKIH-SSDOTTSWSA-N 0 0 197.238 1.394 10 0 ADAERN Cc1cc(CC2(O)CC2)cc(N)c1C 259525831 573603124 /nfs/dbraw/zinc/60/31/24/573603124.db2.gz SYMZHPPELRHSEA-UHFFFAOYSA-N 0 0 191.274 1.953 10 0 ADAERN C[C@@H]1CO[C@H]2[C@@H](O)[C@H](C)CC[C@H]12 238445989 573603134 /nfs/dbraw/zinc/60/31/34/573603134.db2.gz MESCBDGUNZMNKZ-GRDBIXFFSA-N 0 0 170.252 1.428 10 0 ADAERN CCn1ccnc1C(=O)[C@@H]1CCOC1 83716257 573603145 /nfs/dbraw/zinc/60/31/45/573603145.db2.gz NCNRTWXGVXUMOP-MRVPVSSYSA-N 0 0 194.234 1.122 10 0 ADAERN C[C@H]1c2ccccc2O[C@@]1(C)CO 238446901 573603154 /nfs/dbraw/zinc/60/31/54/573603154.db2.gz LGRJDYHIHYWJOY-KWQFWETISA-N 0 0 178.231 1.934 10 0 ADAERN CC[C@H](O)[C@@H]1CCc2cccnc21 86735262 573603156 /nfs/dbraw/zinc/60/31/56/573603156.db2.gz NSOKIDODCJHVRI-UWVGGRQHSA-N 0 0 177.247 1.882 10 0 ADAERN C[C@H]1c2ccccc2O[C@]1(C)CO 238446916 573603163 /nfs/dbraw/zinc/60/31/63/573603163.db2.gz LGRJDYHIHYWJOY-GZMMTYOYSA-N 0 0 178.231 1.934 10 0 ADAERN C[C@H]1Cc2c(O)cccc2O1 75538720 573603185 /nfs/dbraw/zinc/60/31/85/573603185.db2.gz WKKJTKCDOZBAOW-LURJTMIESA-N 0 0 150.177 1.716 10 0 ADAERN Cc1ccc(C(=O)[C@H]2CCOC2)cn1 83716160 573603207 /nfs/dbraw/zinc/60/32/07/573603207.db2.gz MCEHLQZSMILJJR-JTQLQIEISA-N 0 0 191.230 1.609 10 0 ADAERN C[C@@H](O)c1cnc([C@@H]2CCOC2)s1 83717964 573603272 /nfs/dbraw/zinc/60/32/72/573603272.db2.gz CQJYSHPYPIWRMI-RNFRBKRXSA-N 0 0 199.275 1.700 10 0 ADAERN COCC(=O)[C@@H]1CCc2cccnc21 86735858 573603279 /nfs/dbraw/zinc/60/32/79/573603279.db2.gz LMWBQQHITBBING-VIFPVBQESA-N 0 0 191.230 1.327 10 0 ADAERN CC(C)=CC[C@@H]1C[C@@H](O)CC[C@H]1O 147148456 573603296 /nfs/dbraw/zinc/60/32/96/573603296.db2.gz OWPNFFDPVVLGEV-OUAUKWLOSA-N 0 0 184.279 1.865 10 0 ADAERN O[C@@H](CC1CC1)[C@H]1CCOC1 83716343 573603330 /nfs/dbraw/zinc/60/33/30/573603330.db2.gz NLMFDTAEDBZGPP-IUCAKERBSA-N 0 0 156.225 1.184 10 0 ADAERN Cc1cc(C)c(CO)c(O)c1 75539433 573603333 /nfs/dbraw/zinc/60/33/33/573603333.db2.gz BNPKZBJRGYESKG-UHFFFAOYSA-N 0 0 152.193 1.501 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1O)C21CC1 238446153 573603348 /nfs/dbraw/zinc/60/33/48/573603348.db2.gz NSZMGZKRKYHTNB-XHNCKOQMSA-N 0 0 152.237 1.948 10 0 ADAERN O=Cc1ccccc1[C@]1(O)CCOC1 257836583 573603363 /nfs/dbraw/zinc/60/33/63/573603363.db2.gz KVIMWGRCROWBHF-NSHDSACASA-N 0 0 192.214 1.107 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1NC=O)C2 238446124 573603410 /nfs/dbraw/zinc/60/34/10/573603410.db2.gz RNZIQXBHQLMRNH-CIUDSAMLSA-N 0 0 153.225 1.311 10 0 ADAERN CS[C@@H]1CC[C@H]1CO 257836430 573603412 /nfs/dbraw/zinc/60/34/12/573603412.db2.gz MFFJYXAQSRUEIG-NTSWFWBYSA-N 0 0 132.228 1.120 10 0 ADAERN CNc1cc(C)nc([C@H]2CCCO2)n1 83714605 573603414 /nfs/dbraw/zinc/60/34/14/573603414.db2.gz FUFUEAXIFZWBFM-MRVPVSSYSA-N 0 0 193.250 1.678 10 0 ADAERN C[C@H](O)C[C@@H](C)P 238446535 573603417 /nfs/dbraw/zinc/60/34/17/573603417.db2.gz YXKKGJCOBQPIBG-CRCLSJGQSA-N 0 0 120.132 1.021 10 0 ADAERN O=Cc1ccnc(NC2CCC2)c1 259525820 573603426 /nfs/dbraw/zinc/60/34/26/573603426.db2.gz ATVUFVYCRIXBON-UHFFFAOYSA-N 0 0 176.219 1.859 10 0 ADAERN CC(=O)O[C@@H]1CCC(=O)[C@@H](C)C1 238446189 573603438 /nfs/dbraw/zinc/60/34/38/573603438.db2.gz ZQOCZAZUZJQPOD-POYBYMJQSA-N 0 0 170.208 1.307 10 0 ADAERN CC(C)(O)c1cccc2c1CCO2 257836470 573603461 /nfs/dbraw/zinc/60/34/61/573603461.db2.gz ASCZUNMVWBQFMB-UHFFFAOYSA-N 0 0 178.231 1.849 10 0 ADAERN Cc1cc(N)c2ccccn12 238446624 573603462 /nfs/dbraw/zinc/60/34/62/573603462.db2.gz QQVJJKBTKIWJOD-UHFFFAOYSA-N 0 0 146.193 1.830 10 0 ADAERN [NH3+]C[C@@]1(CC(=O)[O-])CCCC12CCC2 107433420 573603466 /nfs/dbraw/zinc/60/34/66/573603466.db2.gz TWGLORWESDTSOE-NSHDSACASA-N 0 0 197.278 1.760 10 0 ADAERN CC(C)(C)n1nc(N)c2c1CSC2 257836542 573603467 /nfs/dbraw/zinc/60/34/67/573603467.db2.gz KTPJXVNLRXWRNE-UHFFFAOYSA-N 0 0 197.307 1.967 10 0 ADAERN C[C@H](c1ccc(F)cc1)[C@H]([NH3+])C(=O)[O-] 107433110 573603490 /nfs/dbraw/zinc/60/34/90/573603490.db2.gz GZBHQWQTTDWPJO-MUWHJKNJSA-N 0 0 197.209 1.341 10 0 ADAERN Cc1cccc2c1[C@@H](O)N=CN2 238446591 573603501 /nfs/dbraw/zinc/60/35/01/573603501.db2.gz MBCTVGDPZNCEII-SECBINFHSA-N 0 0 162.192 1.249 10 0 ADAERN Cc1cc(C=O)nc([C@@H]2CCOC2)n1 83718078 573603514 /nfs/dbraw/zinc/60/35/14/573603514.db2.gz GJZLWTKTHUBANW-MRVPVSSYSA-N 0 0 192.218 1.101 10 0 ADAERN C[C@@H]1[C@@H](CO)CCN1c1ccccc1 259525048 573603515 /nfs/dbraw/zinc/60/35/15/573603515.db2.gz VNXBJDPIGMRKQV-GHMZBOCLSA-N 0 0 191.274 1.894 10 0 ADAERN CC(C)Cc1nncnc1Cl 259140434 573603532 /nfs/dbraw/zinc/60/35/32/573603532.db2.gz JWDYCNJNGPFIBM-UHFFFAOYSA-N 0 0 171.631 1.724 10 0 ADAERN CN[C@H](C(F)F)[C@]1(C)C[C@H]1C 714719204 573603540 /nfs/dbraw/zinc/60/35/40/573603540.db2.gz JDBMALUHEQSMFH-ATRFCDNQSA-N 0 0 163.211 1.886 10 0 ADAERN [NH3+]C1(C(=O)[O-])CCC2(CCCC2)CC1 107433472 573603542 /nfs/dbraw/zinc/60/35/42/573603542.db2.gz NEOIBFRLYNQQJN-UHFFFAOYSA-N 0 0 197.278 1.903 10 0 ADAERN C[C@H](CO)c1ccc(O)cc1 75539453 573603553 /nfs/dbraw/zinc/60/35/53/573603553.db2.gz KPKVDZBNVDKRIJ-SSDOTTSWSA-N 0 0 152.193 1.488 10 0 ADAERN C[C@@H](c1ccc(F)cc1)[C@@H]([NH3+])C(=O)[O-] 107433112 573603564 /nfs/dbraw/zinc/60/35/64/573603564.db2.gz GZBHQWQTTDWPJO-IMTBSYHQSA-N 0 0 197.209 1.341 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1CO)[C@@H](O)C2 238445992 573603571 /nfs/dbraw/zinc/60/35/71/573603571.db2.gz WCCRKFOHRZWYSZ-JXUBOQSCSA-N 0 0 170.252 1.166 10 0 ADAERN C[C@H]1Cc2sccc2[C@]1([NH3+])C(=O)[O-] 107433259 573603575 /nfs/dbraw/zinc/60/35/75/573603575.db2.gz WNJWTUWDODUZPI-CDUCUWFYSA-N 0 0 197.259 1.179 10 0 ADAERN C[C@H](O)c1cnc([C@H]2CCOC2)s1 83717967 573603601 /nfs/dbraw/zinc/60/36/01/573603601.db2.gz CQJYSHPYPIWRMI-BQBZGAKWSA-N 0 0 199.275 1.700 10 0 ADAERN C[C@@H]1CCCC(CO)(CO)C1 238446364 573603608 /nfs/dbraw/zinc/60/36/08/573603608.db2.gz YFMMCSPVLGQQSB-MRVPVSSYSA-N 0 0 158.241 1.168 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@@H]1C[C@@H]1C(=O)[O-] 259124731 573603643 /nfs/dbraw/zinc/60/36/43/573603643.db2.gz CDOCJJDDFUSKSU-CSMHCCOUSA-N 0 0 171.240 1.081 10 0 ADAERN O=C(C1CCOCC1)[C@H]1CCOC1 83716167 573603647 /nfs/dbraw/zinc/60/36/47/573603647.db2.gz LVBMVGANRJMDJW-VIFPVBQESA-N 0 0 184.235 1.019 10 0 ADAERN C1CO[C@H](c2noc(NC3CC3)n2)C1 83714784 573603661 /nfs/dbraw/zinc/60/36/61/573603661.db2.gz JZPBLIJENPWIQQ-ZETCQYMHSA-N 0 0 195.222 1.495 10 0 ADAERN O=C1NC[C@@H]2CCc3ccccc3[C@H]12 197426228 573603664 /nfs/dbraw/zinc/60/36/64/573603664.db2.gz CCCWNNXIKXGDJU-GXSJLCMTSA-N 0 0 187.242 1.462 10 0 ADAERN C[C@@H]1[C@H](c2ccccc2)O[C@@H](O)N1C 238446569 573603674 /nfs/dbraw/zinc/60/36/74/573603674.db2.gz VKWCUOINYUPCAZ-FBIMIBRVSA-N 0 0 193.246 1.354 10 0 ADAERN COC(=O)c1c[nH]c([C@H]2CCCO2)n1 83714752 573603676 /nfs/dbraw/zinc/60/36/76/573603676.db2.gz WJNICEBUOSZXCA-SSDOTTSWSA-N 0 0 196.206 1.048 10 0 ADAERN CS[C@H]1CC[C@H]1CO 257836435 573603710 /nfs/dbraw/zinc/60/37/10/573603710.db2.gz MFFJYXAQSRUEIG-WDSKDSINSA-N 0 0 132.228 1.120 10 0 ADAERN C[NH2+][C@@H](C1CCC1)[C@H](C)CC(=O)[O-] 259525022 573603711 /nfs/dbraw/zinc/60/37/11/573603711.db2.gz UHQCCNVALWUGLD-GMSGAONNSA-N 0 0 185.267 1.485 10 0 ADAERN CCc1cc(N)nc([C@H]2CCCO2)n1 83714578 573603718 /nfs/dbraw/zinc/60/37/18/573603718.db2.gz NQIMNGWHJYQKEW-MRVPVSSYSA-N 0 0 193.250 1.473 10 0 ADAERN Cc1cccc2c1N[C@H](C)C(=O)O2 259139924 573603729 /nfs/dbraw/zinc/60/37/29/573603729.db2.gz HDMQVJQFLLERJO-SSDOTTSWSA-N 0 0 177.203 1.714 10 0 ADAERN O[C@H](CC1CC1)[C@H]1CCOC1 83716345 573603771 /nfs/dbraw/zinc/60/37/71/573603771.db2.gz NLMFDTAEDBZGPP-DTWKUNHWSA-N 0 0 156.225 1.184 10 0 ADAERN CC(C)SC(C)(C)O 259140783 573603778 /nfs/dbraw/zinc/60/37/78/573603778.db2.gz DTKFCHSKOLRSOI-UHFFFAOYSA-N 0 0 134.244 1.856 10 0 ADAERN CC(C)Nc1nc([C@@H]2CCCO2)no1 83714778 573603809 /nfs/dbraw/zinc/60/38/09/573603809.db2.gz YECNUDBOJUZLDZ-ZETCQYMHSA-N 0 0 197.238 1.741 10 0 ADAERN Cc1cccc2c1N[C@@H](C)C(=O)O2 259139930 573603810 /nfs/dbraw/zinc/60/38/10/573603810.db2.gz HDMQVJQFLLERJO-ZETCQYMHSA-N 0 0 177.203 1.714 10 0 ADAERN COC(=O)[C@@]1([NH3+])CCC[C@H](C(C)C)C1 107435362 573603817 /nfs/dbraw/zinc/60/38/17/573603817.db2.gz KHYFFTYAKUKUFS-GXSJLCMTSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@H]1CCCNC(=O)C1(Cl)Cl 238446064 573603841 /nfs/dbraw/zinc/60/38/41/573603841.db2.gz INPIGXHRVLCQIA-YFKPBYRVSA-N 0 0 196.077 1.706 10 0 ADAERN Cc1nc([C@H](C)NCC2(F)CC2)no1 308648150 573603842 /nfs/dbraw/zinc/60/38/42/573603842.db2.gz IVQOTOVMZFPPLP-LURJTMIESA-N 0 0 199.229 1.531 10 0 ADAERN COc1ccc(N(C)C#N)c(OC)c1 259141159 573603853 /nfs/dbraw/zinc/60/38/53/573603853.db2.gz DQSXFMIPEXHLLM-UHFFFAOYSA-N 0 0 192.218 1.621 10 0 ADAERN Cc1cc(=O)[nH]c(C)c1Cl 238446497 573603868 /nfs/dbraw/zinc/60/38/68/573603868.db2.gz GFDQSBAOAAQTQS-UHFFFAOYSA-N 0 0 157.600 1.645 10 0 ADAERN C[C@H]1c2ccccc2C(=O)[C@@]1(C)O 238446716 573606266 /nfs/dbraw/zinc/60/62/66/573606266.db2.gz OGWNJXITGLESTK-CPCISQLKSA-N 0 0 176.215 1.737 10 0 ADAERN C[C@@H]1CC[C@@]2(C)CC(=O)[C@@H]2O1 238447205 573603875 /nfs/dbraw/zinc/60/38/75/573603875.db2.gz GJBICYTYPYRCPK-YEPSODPASA-N 0 0 154.209 1.533 10 0 ADAERN Cc1nc(C)c(O)c(C=O)c1C 224398583 573603885 /nfs/dbraw/zinc/60/38/85/573603885.db2.gz XKRHXESFIPCEBA-UHFFFAOYSA-N 0 0 165.192 1.525 10 0 ADAERN COC(=O)[C@@]1([NH3+])CCC[C@@H](C(C)C)C1 107435361 573603903 /nfs/dbraw/zinc/60/39/03/573603903.db2.gz KHYFFTYAKUKUFS-MWLCHTKSSA-N 0 0 199.294 1.703 10 0 ADAERN CCNc1nc([C@H]2CCOC2)no1 83718046 573603908 /nfs/dbraw/zinc/60/39/08/573603908.db2.gz LTHQYQGHDMBWNB-LURJTMIESA-N 0 0 183.211 1.005 10 0 ADAERN C[C@@H]1[C@@H](CO)CC(=O)N1C(C)(C)C 259525156 573603945 /nfs/dbraw/zinc/60/39/45/573603945.db2.gz VONBDSDHFHGMBE-HTQZYQBOSA-N 0 0 185.267 1.014 10 0 ADAERN O=C1CC=CC[C@@]2(O)CCC[C@H]12 223192770 573603954 /nfs/dbraw/zinc/60/39/54/573603954.db2.gz FNZRGPGYVDMUNV-PSASIEDQSA-N 0 0 166.220 1.437 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])CCCC12CCC2 107433418 573603957 /nfs/dbraw/zinc/60/39/57/573603957.db2.gz TWGLORWESDTSOE-LLVKDONJSA-N 0 0 197.278 1.760 10 0 ADAERN Cc1cccc([C@@H]2CC(=O)N(C)N2)c1 257836586 573603959 /nfs/dbraw/zinc/60/39/59/573603959.db2.gz KVPYKQNDWVLSLV-JTQLQIEISA-N 0 0 190.246 1.403 10 0 ADAERN O=C(c1cncc(F)c1)[C@@H]1CCOC1 83716288 573603964 /nfs/dbraw/zinc/60/39/64/573603964.db2.gz NKBAQPOXANBJFG-SSDOTTSWSA-N 0 0 195.193 1.440 10 0 ADAERN C[C@H]1[C@H](CO)CC(=O)N1C(C)(C)C 259525164 573603971 /nfs/dbraw/zinc/60/39/71/573603971.db2.gz VONBDSDHFHGMBE-YUMQZZPRSA-N 0 0 185.267 1.014 10 0 ADAERN CC[C@H](C)[C@@H](C)NN1CCN(C)CC1 214448079 573603991 /nfs/dbraw/zinc/60/39/91/573603991.db2.gz HWWLITVSMOPZGD-WDEREUQCSA-N 0 0 199.342 1.173 10 0 ADAERN OCC[C@@H]1Cc2cccc(O)c2C1 257836338 573604038 /nfs/dbraw/zinc/60/40/38/573604038.db2.gz LCLVNSBAVCHYNW-MRVPVSSYSA-N 0 0 178.231 1.489 10 0 ADAERN C=CCC[C@@H]1C[C@@H](C)C(=O)O1 147159743 573604043 /nfs/dbraw/zinc/60/40/43/573604043.db2.gz ZXSDHZGYVHAOFO-HTQZYQBOSA-N 0 0 154.209 1.904 10 0 ADAERN O[C@H](CC1CC1)[C@@H]1CCOC1 83716341 573604047 /nfs/dbraw/zinc/60/40/47/573604047.db2.gz NLMFDTAEDBZGPP-RKDXNWHRSA-N 0 0 156.225 1.184 10 0 ADAERN Nc1cc([C@@H]2CCCCS2)[nH]n1 259525448 573604076 /nfs/dbraw/zinc/60/40/76/573604076.db2.gz ARARKUKFXXCPQF-ZETCQYMHSA-N 0 0 183.280 1.950 10 0 ADAERN O=C1NC[C@@H]2CCc3ccccc3[C@@H]12 197426171 573604080 /nfs/dbraw/zinc/60/40/80/573604080.db2.gz CCCWNNXIKXGDJU-ONGXEEELSA-N 0 0 187.242 1.462 10 0 ADAERN Cc1cc(C=O)nc([C@@H]2CCCO2)n1 83714808 573604109 /nfs/dbraw/zinc/60/41/09/573604109.db2.gz CJZKJGXTKXPTNL-VIFPVBQESA-N 0 0 192.218 1.449 10 0 ADAERN C[NH2+][C@H](C1CCC1)[C@@H](C)CC(=O)[O-] 259525027 573604130 /nfs/dbraw/zinc/60/41/30/573604130.db2.gz UHQCCNVALWUGLD-XVKPBYJWSA-N 0 0 185.267 1.485 10 0 ADAERN COc1c(CO)ccc2c1[C@H]([NH3+])CC2 238446393 573604153 /nfs/dbraw/zinc/60/41/53/573604153.db2.gz LITBXEOZSOPKTM-SECBINFHSA-N 0 0 193.246 1.134 10 0 ADAERN C[C@H](c1cccc(F)c1)[C@H]([NH3+])C(=O)[O-] 107433100 573604186 /nfs/dbraw/zinc/60/41/86/573604186.db2.gz QSHAPPOOWLRLMP-MUWHJKNJSA-N 0 0 197.209 1.341 10 0 ADAERN Cc1ccc(C)c(CO)c1O 75539427 573604196 /nfs/dbraw/zinc/60/41/96/573604196.db2.gz MMGPIADYJSPEJI-UHFFFAOYSA-N 0 0 152.193 1.501 10 0 ADAERN [NH3+][C@H](O)c1ccc(F)c(Cl)c1 259123514 573604244 /nfs/dbraw/zinc/60/42/44/573604244.db2.gz AMQMQWLFDDGPCX-SSDOTTSWSA-N 0 0 175.590 1.429 10 0 ADAERN CCn1cc(C(=O)[C@@H]2CCOC2)cn1 83716057 573604256 /nfs/dbraw/zinc/60/42/56/573604256.db2.gz RFILQNUKIKZSQW-MRVPVSSYSA-N 0 0 194.234 1.122 10 0 ADAERN C[C@H]1c2ccccc2C(=O)[C@]1(C)O 238446733 573604290 /nfs/dbraw/zinc/60/42/90/573604290.db2.gz OGWNJXITGLESTK-WRWORJQWSA-N 0 0 176.215 1.737 10 0 ADAERN CC(=O)c1[nH]nc2c1CSCC2 257836251 573604307 /nfs/dbraw/zinc/60/43/07/573604307.db2.gz LAPKJAYCDBTQRD-UHFFFAOYSA-N 0 0 182.248 1.402 10 0 ADAERN C[C@H]1CC[C@@H]2[C@@H](C)CO[C@H](O)[C@H]12 147366171 573604320 /nfs/dbraw/zinc/60/43/20/573604320.db2.gz DUQRVHURUWMFMN-OEZYJKACSA-N 0 0 170.252 1.633 10 0 ADAERN OCC1(SC2CCCC2)COC1 259140703 573604322 /nfs/dbraw/zinc/60/43/22/573604322.db2.gz DRWVBSSHNKZNMX-UHFFFAOYSA-N 0 0 188.292 1.424 10 0 ADAERN O=Cc1cnn(C2CCCC2)c1F 259525754 573604332 /nfs/dbraw/zinc/60/43/32/573604332.db2.gz ATLQGSPLKLOWPK-UHFFFAOYSA-N 0 0 182.198 1.950 10 0 ADAERN CCCNc1nc([C@@H]2CCCO2)no1 83714774 573604333 /nfs/dbraw/zinc/60/43/33/573604333.db2.gz PVAATCJQHKRBJY-ZETCQYMHSA-N 0 0 197.238 1.743 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CC[N@@H+]2CCCC[C@H]12 107433494 573604339 /nfs/dbraw/zinc/60/43/39/573604339.db2.gz NWVWCAJEBAKHAZ-IVZWLZJFSA-N 0 0 197.278 1.582 10 0 ADAERN Cn1[nH]c(=O)cc1C1CCSCC1 257836735 573604351 /nfs/dbraw/zinc/60/43/51/573604351.db2.gz IVFVIUZUSORLRS-UHFFFAOYSA-N 0 0 198.291 1.736 10 0 ADAERN CCOC(=O)[C@H](c1ccc[nH]1)N(C)C 259140794 573604370 /nfs/dbraw/zinc/60/43/70/573604370.db2.gz KEGUKYDIRWKXFL-VIFPVBQESA-N 0 0 196.250 1.181 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@@H]1C[C@H]1C(=O)[O-] 259124734 573604377 /nfs/dbraw/zinc/60/43/77/573604377.db2.gz CDOCJJDDFUSKSU-PRJMDXOYSA-N 0 0 171.240 1.081 10 0 ADAERN Nc1cccc2scc(CO)c12 258818694 573604384 /nfs/dbraw/zinc/60/43/84/573604384.db2.gz RHTXHNDXABWIQR-UHFFFAOYSA-N 0 0 179.244 1.976 10 0 ADAERN CCOC(=N)[C@H]1CCCO1 83714306 573604388 /nfs/dbraw/zinc/60/43/88/573604388.db2.gz YDXRRUJLKUZOIZ-ZCFIWIBFSA-N 0 0 143.186 1.179 10 0 ADAERN C[C@H](O)c1cc2c(cn1)OC[C@@H]2C 238446156 573604394 /nfs/dbraw/zinc/60/43/94/573604394.db2.gz XUEBKWAOGVQQKN-BQBZGAKWSA-N 0 0 179.219 1.631 10 0 ADAERN Cc1cc(C=O)nc([C@H]2CCCO2)n1 83714811 573604400 /nfs/dbraw/zinc/60/44/00/573604400.db2.gz CJZKJGXTKXPTNL-SECBINFHSA-N 0 0 192.218 1.449 10 0 ADAERN CC[C@@H](C)[C@@H](C)NN1CCN(C)CC1 214448018 573604407 /nfs/dbraw/zinc/60/44/07/573604407.db2.gz HWWLITVSMOPZGD-GHMZBOCLSA-N 0 0 199.342 1.173 10 0 ADAERN CSCC(=O)[C@@H]1CCO[C@H]1C 86758139 573604413 /nfs/dbraw/zinc/60/44/13/573604413.db2.gz GYTFECNQQYTBPQ-NKWVEPMBSA-N 0 0 174.265 1.344 10 0 ADAERN CC[C@H](CO)C1(CC)COC1 258817832 573604443 /nfs/dbraw/zinc/60/44/43/573604443.db2.gz YKIZCOZYQJUJRK-MRVPVSSYSA-N 0 0 158.241 1.432 10 0 ADAERN C[C@H](C[NH3+])Oc1ccccc1C(=O)[O-] 259525331 573604463 /nfs/dbraw/zinc/60/44/63/573604463.db2.gz LERLBCUSZBGXPS-SSDOTTSWSA-N 0 0 195.218 1.111 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1O)CC21OCCO1 238446179 573604488 /nfs/dbraw/zinc/60/44/88/573604488.db2.gz HQGHPAPPWHZYNM-LPEHRKFASA-N 0 0 198.262 1.301 10 0 ADAERN CCCc1nnc([C@@H]2CCO[C@H]2C)[nH]1 86758540 573604493 /nfs/dbraw/zinc/60/44/93/573604493.db2.gz CQFXBWYYXTWTJI-JGVFFNPUSA-N 0 0 195.266 1.650 10 0 ADAERN CCC(CC)N(C)C(=O)C1COC1 393541126 573604497 /nfs/dbraw/zinc/60/44/97/573604497.db2.gz ZBRKBCAKTVHDHM-UHFFFAOYSA-N 0 0 185.267 1.280 10 0 ADAERN COc1c(CO)ccc2c1[C@@H]([NH3+])CC2 238446406 573604502 /nfs/dbraw/zinc/60/45/02/573604502.db2.gz LITBXEOZSOPKTM-VIFPVBQESA-N 0 0 193.246 1.134 10 0 ADAERN C[C@H]1[C@@H](CO)CC(=O)N1C(C)(C)C 259525160 573604528 /nfs/dbraw/zinc/60/45/28/573604528.db2.gz VONBDSDHFHGMBE-JGVFFNPUSA-N 0 0 185.267 1.014 10 0 ADAERN CCc1cc(N)nc([C@@H]2CCCO2)n1 83714575 573604534 /nfs/dbraw/zinc/60/45/34/573604534.db2.gz NQIMNGWHJYQKEW-QMMMGPOBSA-N 0 0 193.250 1.473 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1[NH3+])[C@@]2(C)C(=O)[O-] 238446051 573604564 /nfs/dbraw/zinc/60/45/64/573604564.db2.gz WEHVWLUJERKANU-MFDQJXRNSA-N 0 0 183.251 1.225 10 0 ADAERN C[Si](C)(C)[C@@H]1CC[C@@H](O)[C@@H](O)C1 238446255 573604579 /nfs/dbraw/zinc/60/45/79/573604579.db2.gz NBSPBJVCGGNYRI-HLTSFMKQSA-N 0 0 188.343 1.601 10 0 ADAERN CCc1sc(C)nc1CO 259524722 573604580 /nfs/dbraw/zinc/60/45/80/573604580.db2.gz TUGHMHMSQASETC-UHFFFAOYSA-N 0 0 157.238 1.506 10 0 ADAERN CCn1ccnc1C[C@H]1CCC[C@@H]1O 86753256 573606228 /nfs/dbraw/zinc/60/62/28/573606228.db2.gz BZPASQYQSISLDM-ZJUUUORDSA-N 0 0 194.278 1.607 10 0 ADAERN CC(C)C[N@@H+]1CCC/C(=C/C(=O)[O-])C1 259140116 573604682 /nfs/dbraw/zinc/60/46/82/573604682.db2.gz IOPCGHLESHPMNA-POHAHGRESA-N 0 0 197.278 1.749 10 0 ADAERN C[C@H](c1coc(C(=O)[O-])c1)[NH+](C)C 257836298 573604714 /nfs/dbraw/zinc/60/47/14/573604714.db2.gz LBMUMMDGIWMJQK-ZCFIWIBFSA-N 0 0 183.207 1.600 10 0 ADAERN O=Cc1ccccc1[C@@]1(O)CCOC1 257836582 573604747 /nfs/dbraw/zinc/60/47/47/573604747.db2.gz KVIMWGRCROWBHF-LLVKDONJSA-N 0 0 192.214 1.107 10 0 ADAERN C[C@@H]1CO[C@@H]2[C@@H](O)[C@H](C)CC[C@H]12 238445974 573604749 /nfs/dbraw/zinc/60/47/49/573604749.db2.gz MESCBDGUNZMNKZ-VFCFLDTKSA-N 0 0 170.252 1.428 10 0 ADAERN C[C@@H]1CN2CCCN[C@@H]2c2cccn21 238447084 573604853 /nfs/dbraw/zinc/60/48/53/573604853.db2.gz PIGADQXXQCCIBF-KOLCDFICSA-N 0 0 191.278 1.357 10 0 ADAERN C/C(=C/[C@H]1CCC(=O)[C@@H]1C)CCO 238447217 573604799 /nfs/dbraw/zinc/60/47/99/573604799.db2.gz IPDGYGDOOTZUBD-BUMYOJGDSA-N 0 0 182.263 1.930 10 0 ADAERN CCCSCC(=O)c1cn(C)cn1 393540850 573604803 /nfs/dbraw/zinc/60/48/03/573604803.db2.gz YGPWZRNHDKKOGC-UHFFFAOYSA-N 0 0 198.291 1.746 10 0 ADAERN C[C@H]1c2ccccc2C(=O)O[C@@H]1O 238446001 573604811 /nfs/dbraw/zinc/60/48/11/573604811.db2.gz USWFQCOCCLUYTE-RCOVLWMOSA-N 0 0 178.187 1.279 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C[C@@H]1C1CCC1 257836571 573604814 /nfs/dbraw/zinc/60/48/14/573604814.db2.gz KUVCGUROYJORRZ-SNVBAGLBSA-N 0 0 195.262 1.502 10 0 ADAERN CSCC(=O)[C@H]1CCO[C@H]1C 86758144 573604848 /nfs/dbraw/zinc/60/48/48/573604848.db2.gz GYTFECNQQYTBPQ-BQBZGAKWSA-N 0 0 174.265 1.344 10 0 ADAERN O=C(CC1CCOCC1)[C@@H]1CCOC1 83716108 573604851 /nfs/dbraw/zinc/60/48/51/573604851.db2.gz IMXAXNCXYDJPTN-SNVBAGLBSA-N 0 0 198.262 1.409 10 0 ADAERN COc1c(C)cccc1C(=O)CN 82397244 573604855 /nfs/dbraw/zinc/60/48/55/573604855.db2.gz GUPCJLTXKFUQCR-UHFFFAOYSA-N 0 0 179.219 1.145 10 0 ADAERN [NH3+][C@@H](O)c1ccc(F)c(Cl)c1 259123518 573604860 /nfs/dbraw/zinc/60/48/60/573604860.db2.gz AMQMQWLFDDGPCX-ZETCQYMHSA-N 0 0 175.590 1.429 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)c1ccco1 86756642 573604869 /nfs/dbraw/zinc/60/48/69/573604869.db2.gz BQVIJBKQVPVHNE-HTQZYQBOSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1Cc1nccn1C 86753785 573604902 /nfs/dbraw/zinc/60/49/02/573604902.db2.gz WFKGRTKDEHFJBH-RKDXNWHRSA-N 0 0 192.262 1.578 10 0 ADAERN Cc1nc(OC(C)C)ncc1N 259525514 573604913 /nfs/dbraw/zinc/60/49/13/573604913.db2.gz ARODJIFEXFDXNF-UHFFFAOYSA-N 0 0 167.212 1.154 10 0 ADAERN Cn1ccnc1C[C@@H]1CC[C@H](O)C1 86754456 573604923 /nfs/dbraw/zinc/60/49/23/573604923.db2.gz WRKNTFKYYLLORW-BDAKNGLRSA-N 0 0 180.251 1.124 10 0 ADAERN CCCc1nnc([C@H]2CCO[C@H]2C)[nH]1 86758542 573604940 /nfs/dbraw/zinc/60/49/40/573604940.db2.gz CQFXBWYYXTWTJI-YUMQZZPRSA-N 0 0 195.266 1.650 10 0 ADAERN C=Cc1nc([C@H]2CCOC2)no1 83715521 573605249 /nfs/dbraw/zinc/60/52/49/573605249.db2.gz LPLSHYAKDAEMMQ-LURJTMIESA-N 0 0 166.180 1.217 10 0 ADAERN COc1cccc2oc(CCO)cc12 257836267 573604958 /nfs/dbraw/zinc/60/49/58/573604958.db2.gz APNBJLFHYWQFFA-UHFFFAOYSA-N 0 0 192.214 1.976 10 0 ADAERN CC(=O)C1(C(C)=O)CCC[C@H]1C 238446750 573604965 /nfs/dbraw/zinc/60/49/65/573604965.db2.gz ZKBLOPUFHUVSHW-SSDOTTSWSA-N 0 0 168.236 1.971 10 0 ADAERN CCOC(=O)c1conc1Cl 259616271 573604981 /nfs/dbraw/zinc/60/49/81/573604981.db2.gz FLICVEQNACIAHE-UHFFFAOYSA-N 0 0 175.571 1.505 10 0 ADAERN C[C@H]1[C@@H](CO)CCN1c1ccccc1 259525057 573604989 /nfs/dbraw/zinc/60/49/89/573604989.db2.gz VNXBJDPIGMRKQV-WDEREUQCSA-N 0 0 191.274 1.894 10 0 ADAERN C[C@H]1C(=O)CO[C@H]1c1ccccc1 238446479 573605001 /nfs/dbraw/zinc/60/50/01/573605001.db2.gz JBUYPOJYMVZTPB-GZMMTYOYSA-N 0 0 176.215 1.963 10 0 ADAERN Cn1ccnc1C[C@@H]1CCCC1=O 86753271 573605016 /nfs/dbraw/zinc/60/50/16/573605016.db2.gz XTUMQSGNAGQGIZ-QMMMGPOBSA-N 0 0 178.235 1.332 10 0 ADAERN CCn1cc(C(=O)[C@H]2CCOC2)cn1 83716059 573605034 /nfs/dbraw/zinc/60/50/34/573605034.db2.gz RFILQNUKIKZSQW-QMMMGPOBSA-N 0 0 194.234 1.122 10 0 ADAERN CNc1nc([C@@H]2CCCO2)ns1 83715462 573605051 /nfs/dbraw/zinc/60/50/51/573605051.db2.gz QPQQODDOEMECFH-YFKPBYRVSA-N 0 0 185.252 1.431 10 0 ADAERN O=C1C[C@@H]2CNc3ccccc3[C@H]2N1 224390644 573605083 /nfs/dbraw/zinc/60/50/83/573605083.db2.gz YTSHXKLXUANLGQ-HQJQHLMTSA-N 0 0 188.230 1.289 10 0 ADAERN O=C1NC[C@H]2CCc3ccccc3[C@H]12 197426248 573605085 /nfs/dbraw/zinc/60/50/85/573605085.db2.gz CCCWNNXIKXGDJU-MWLCHTKSSA-N 0 0 187.242 1.462 10 0 ADAERN CC(C)=CC[C@@H]1C[C@@H](O)CC[C@@H]1O 147148844 573605094 /nfs/dbraw/zinc/60/50/94/573605094.db2.gz OWPNFFDPVVLGEV-VWYCJHECSA-N 0 0 184.279 1.865 10 0 ADAERN C[C@H]1CCCO[C@@H]1CCCO 238446680 573605097 /nfs/dbraw/zinc/60/50/97/573605097.db2.gz RBZMXONVICYSHD-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CSCC(=O)[C@@H]1CCO[C@@H]1C 86758138 573605101 /nfs/dbraw/zinc/60/51/01/573605101.db2.gz GYTFECNQQYTBPQ-RNFRBKRXSA-N 0 0 174.265 1.344 10 0 ADAERN C[Si](C)(C)[C@@H]1CC[C@H]1O 238446353 573605104 /nfs/dbraw/zinc/60/51/04/573605104.db2.gz RZWZPCLAGYZJCJ-RNFRBKRXSA-N 0 0 144.290 1.850 10 0 ADAERN CC(=O)Cc1nc([C@H]2CCCO2)no1 83715110 573605108 /nfs/dbraw/zinc/60/51/08/573605108.db2.gz ZOZPSBZNUFPGOR-SSDOTTSWSA-N 0 0 196.206 1.053 10 0 ADAERN C/C=C/C[N@@H+]1CCC[C@H]1CCC(=O)[O-] 308647284 573605175 /nfs/dbraw/zinc/60/51/75/573605175.db2.gz IHDKSENCCKDJGO-PBKGFPTLSA-N 0 0 197.278 1.892 10 0 ADAERN O=Cc1cccc(C2(CO)CC2)c1 257836418 573605195 /nfs/dbraw/zinc/60/51/95/573605195.db2.gz LDSTUDGCVGQAJO-UHFFFAOYSA-N 0 0 176.215 1.523 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@H](O)c1ccc[nH]1 86760323 573605208 /nfs/dbraw/zinc/60/52/08/573605208.db2.gz FUMXJZJKXKJRPH-XKSSXDPKSA-N 0 0 181.235 1.473 10 0 ADAERN CC[C@@H](CO)C1(CC)COC1 258817835 573605218 /nfs/dbraw/zinc/60/52/18/573605218.db2.gz YKIZCOZYQJUJRK-QMMMGPOBSA-N 0 0 158.241 1.432 10 0 ADAERN CCC(CC)CN1CCCNC1=O 130573619 573605266 /nfs/dbraw/zinc/60/52/66/573605266.db2.gz YMWFOZSJZAFSNV-UHFFFAOYSA-N 0 0 184.283 1.838 10 0 ADAERN Clc1nc([C@H]2CCCO2)no1 83714299 573605272 /nfs/dbraw/zinc/60/52/72/573605272.db2.gz VMWCBXRFVILECA-SCSAIBSYSA-N 0 0 174.587 1.575 10 0 ADAERN Nc1cccc(NC2=NCCO2)c1 259525965 573605277 /nfs/dbraw/zinc/60/52/77/573605277.db2.gz AUWAHQCWTRENGH-UHFFFAOYSA-N 0 0 177.207 1.067 10 0 ADAERN Cn1ccnc1CC1=C[C@@H](O)CC1 86754658 573605281 /nfs/dbraw/zinc/60/52/81/573605281.db2.gz SNFVDTKHUXLHNW-VIFPVBQESA-N 0 0 178.235 1.044 10 0 ADAERN O=C1CCN(CC2(C3CC3)CC2)C1 236402985 573605298 /nfs/dbraw/zinc/60/52/98/573605298.db2.gz VFEBMKDYXCRQEH-UHFFFAOYSA-N 0 0 179.263 1.451 10 0 ADAERN CCC(CC)CN1C(=O)[C@H](C)N[C@@H]1C 130575738 573605301 /nfs/dbraw/zinc/60/53/01/573605301.db2.gz PRYRBHDHXWSPGJ-IUCAKERBSA-N 0 0 198.310 1.589 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1n1cccn1 238446798 573605316 /nfs/dbraw/zinc/60/53/16/573605316.db2.gz XKKCMNOWUHDLKV-HTQZYQBOSA-N 0 0 164.208 1.423 10 0 ADAERN Cc1cc(=O)[nH]c2c1CCCO2 238446932 573605323 /nfs/dbraw/zinc/60/53/23/573605323.db2.gz KJXZKCSUPWDUPB-UHFFFAOYSA-N 0 0 165.192 1.008 10 0 ADAERN O[C@H]1CCSCC12CSC2 82398575 573605324 /nfs/dbraw/zinc/60/53/24/573605324.db2.gz SGQVLDQYSDPPQH-LURJTMIESA-N 0 0 176.306 1.217 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCCC12CCCCC2 107433478 573605325 /nfs/dbraw/zinc/60/53/25/573605325.db2.gz BUXDLJGBWLHBCT-LLVKDONJSA-N 0 0 197.278 1.903 10 0 ADAERN Cc1cccc2c1NCCN2C=O 238446459 573605353 /nfs/dbraw/zinc/60/53/53/573605353.db2.gz BTRMGXHICPTGEW-UHFFFAOYSA-N 0 0 176.219 1.383 10 0 ADAERN OCC[C@H]1Cc2cccc(O)c2C1 257836340 573605354 /nfs/dbraw/zinc/60/53/54/573605354.db2.gz LCLVNSBAVCHYNW-QMMMGPOBSA-N 0 0 178.231 1.489 10 0 ADAERN Cc1ccc([C@@H]2COC[C@@H]2O)s1 687970488 573605357 /nfs/dbraw/zinc/60/53/57/573605357.db2.gz SKDXZHZGPUCHNU-SFYZADRCSA-N 0 0 184.260 1.531 10 0 ADAERN COCc1cc(C=O)c(F)cc1OC 258066884 573605389 /nfs/dbraw/zinc/60/53/89/573605389.db2.gz UALLEQHSXSAKJA-UHFFFAOYSA-N 0 0 198.193 1.793 10 0 ADAERN C[C@@H]1OCC[C@H]1c1nnc(C2CC2)[nH]1 86758546 573605391 /nfs/dbraw/zinc/60/53/91/573605391.db2.gz BINCQXNVCCQKOU-POYBYMJQSA-N 0 0 193.250 1.575 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@H]1C[C@H]1C(=O)[O-] 259124735 573605394 /nfs/dbraw/zinc/60/53/94/573605394.db2.gz CDOCJJDDFUSKSU-RNJXMRFFSA-N 0 0 171.240 1.081 10 0 ADAERN Cc1nc2ccc(OCCO)cc2o1 259524744 573605407 /nfs/dbraw/zinc/60/54/07/573605407.db2.gz TURUHAUSAMTOMX-UHFFFAOYSA-N 0 0 193.202 1.507 10 0 ADAERN O=Cc1c[nH]c([C@@H]2CCCO2)n1 83715429 573605408 /nfs/dbraw/zinc/60/54/08/573605408.db2.gz RJOWFXSJDWJYGF-ZETCQYMHSA-N 0 0 166.180 1.074 10 0 ADAERN CNc1ccnc([C@H]2CCCO2)n1 83714636 573605416 /nfs/dbraw/zinc/60/54/16/573605416.db2.gz GYNYCZUGFXVZMD-SSDOTTSWSA-N 0 0 179.223 1.370 10 0 ADAERN C[C@@H](C[NH3+])Oc1ccccc1C(=O)[O-] 259525332 573605417 /nfs/dbraw/zinc/60/54/17/573605417.db2.gz LERLBCUSZBGXPS-ZETCQYMHSA-N 0 0 195.218 1.111 10 0 ADAERN Cc1ccc([C@@H]2COC[C@H]2O)s1 687970486 573605419 /nfs/dbraw/zinc/60/54/19/573605419.db2.gz SKDXZHZGPUCHNU-HTQZYQBOSA-N 0 0 184.260 1.531 10 0 ADAERN C[NH2+][C@@H](C1CCC1)[C@@H](C)CC(=O)[O-] 259525024 573605439 /nfs/dbraw/zinc/60/54/39/573605439.db2.gz UHQCCNVALWUGLD-OIBJUYFYSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)(CO)c1ccc2c(c1)OCC2 257836343 573605462 /nfs/dbraw/zinc/60/54/62/573605462.db2.gz MDBNIEFVBJYFCV-UHFFFAOYSA-N 0 0 192.258 1.891 10 0 ADAERN Cc1cc(N)nc([C@@H]2CCCO2)n1 83714560 573605463 /nfs/dbraw/zinc/60/54/63/573605463.db2.gz BBAUFPDYKPRTNJ-ZETCQYMHSA-N 0 0 179.223 1.219 10 0 ADAERN Nc1cc(-c2ccc(O)c(N)c2)on1 259525980 573605466 /nfs/dbraw/zinc/60/54/66/573605466.db2.gz RASCAMQYSJEHCE-UHFFFAOYSA-N 0 0 191.190 1.212 10 0 ADAERN O[C@@H]1COC[C@@H]1Cc1ccsc1 687970491 573605470 /nfs/dbraw/zinc/60/54/70/573605470.db2.gz SOLHMWBCWRWBRK-DTWKUNHWSA-N 0 0 184.260 1.298 10 0 ADAERN C[C@H]1[C@H]2Cc3ccccc3[C@@H]1NC2=O 238446388 573606299 /nfs/dbraw/zinc/60/62/99/573606299.db2.gz KEUKDQCGDUYTGI-WHGOUJPWSA-N 0 0 187.242 1.666 10 0 ADAERN Cc1ccc(Cl)[nH]1 78740162 573605482 /nfs/dbraw/zinc/60/54/82/573605482.db2.gz OMFZLUYGSFOCME-UHFFFAOYSA-N 0 0 115.563 1.977 10 0 ADAERN CCCNc1nc([C@@H]2CCOC2)no1 83718047 573605489 /nfs/dbraw/zinc/60/54/89/573605489.db2.gz YNBMIJVWPFCEKG-SSDOTTSWSA-N 0 0 197.238 1.395 10 0 ADAERN COC(=O)Cc1coc(C)c1C 259525723 573605498 /nfs/dbraw/zinc/60/54/98/573605498.db2.gz DTSBXFNGQTXKNC-UHFFFAOYSA-N 0 0 168.192 1.612 10 0 ADAERN O=Cc1c[nH]c([C@H]2CCCO2)n1 83715431 573605506 /nfs/dbraw/zinc/60/55/06/573605506.db2.gz RJOWFXSJDWJYGF-SSDOTTSWSA-N 0 0 166.180 1.074 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCCCC12CCCC2 107433481 573605521 /nfs/dbraw/zinc/60/55/21/573605521.db2.gz KSTSNWXWJKYOBY-NSHDSACASA-N 0 0 197.278 1.903 10 0 ADAERN CCS/C(=C\CO)[S@@](=O)CC 393541187 573605775 /nfs/dbraw/zinc/60/57/75/573605775.db2.gz YTCYBZWURKSFGS-ZRQQLDRUSA-N 0 0 194.321 1.342 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1Cc1nccn1C 86753782 573605547 /nfs/dbraw/zinc/60/55/47/573605547.db2.gz WFKGRTKDEHFJBH-IUCAKERBSA-N 0 0 192.262 1.578 10 0 ADAERN CC(C)[C@H]1CSCCC(=O)N1 257836299 573605564 /nfs/dbraw/zinc/60/55/64/573605564.db2.gz LBNHUJJNBPNNNC-SSDOTTSWSA-N 0 0 173.281 1.264 10 0 ADAERN O=C(CC1CC1)[C@@H]1CCOC1 83715998 573605576 /nfs/dbraw/zinc/60/55/76/573605576.db2.gz JWLGXPZCOVBTLX-MRVPVSSYSA-N 0 0 154.209 1.392 10 0 ADAERN Cc1ccc([C@H]2COC[C@@H]2O)s1 687970489 573605581 /nfs/dbraw/zinc/60/55/81/573605581.db2.gz SKDXZHZGPUCHNU-YUMQZZPRSA-N 0 0 184.260 1.531 10 0 ADAERN Cn1ccnc1C[C@@H]1CC[C@@H](O)C1 86754460 573605586 /nfs/dbraw/zinc/60/55/86/573605586.db2.gz WRKNTFKYYLLORW-RKDXNWHRSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@@H](O)c1csc([C@@H]2CCOC2)n1 83717972 573605631 /nfs/dbraw/zinc/60/56/31/573605631.db2.gz OLLGEQQUACRXQU-RNFRBKRXSA-N 0 0 199.275 1.700 10 0 ADAERN CCc1nnc([C@H]2CCO[C@@H]2C)[nH]1 86758523 573605669 /nfs/dbraw/zinc/60/56/69/573605669.db2.gz GBNQMJQLUVMSES-RQJHMYQMSA-N 0 0 181.239 1.260 10 0 ADAERN CO[C@@]1(CO)CCc2ccc(O)cc21 257836650 573605680 /nfs/dbraw/zinc/60/56/80/573605680.db2.gz KYHHXMVUNMCFKY-LLVKDONJSA-N 0 0 194.230 1.172 10 0 ADAERN N=C(N)C(F)(F)C1CCSCC1 259527753 573605698 /nfs/dbraw/zinc/60/56/98/573605698.db2.gz AVSOUTNYBBMXLT-UHFFFAOYSA-N 0 0 194.250 1.701 10 0 ADAERN CS[C@@H]1CC[C@@H]1CO 257836432 573605702 /nfs/dbraw/zinc/60/57/02/573605702.db2.gz MFFJYXAQSRUEIG-PHDIDXHHSA-N 0 0 132.228 1.120 10 0 ADAERN CCCSC[C@@H]1CN(C)CC[NH2+]1 259123414 573605704 /nfs/dbraw/zinc/60/57/04/573605704.db2.gz CDTPZMIWCMZDDR-VIFPVBQESA-N 0 0 188.340 1.033 10 0 ADAERN Cn1ccnc1C[C@H]1CC[C@H](O)C1 86754458 573605713 /nfs/dbraw/zinc/60/57/13/573605713.db2.gz WRKNTFKYYLLORW-IUCAKERBSA-N 0 0 180.251 1.124 10 0 ADAERN CN(O)C1CCCCC1 78927301 573605716 /nfs/dbraw/zinc/60/57/16/573605716.db2.gz KWAWWQICHIREBG-UHFFFAOYSA-N 0 0 129.203 1.640 10 0 ADAERN Cc1ccc([C@H]2COC[C@H]2O)s1 687970487 573605723 /nfs/dbraw/zinc/60/57/23/573605723.db2.gz SKDXZHZGPUCHNU-JGVFFNPUSA-N 0 0 184.260 1.531 10 0 ADAERN O=C(Cc1ccoc1)C[C@@H]1CCCO1 130583106 573605727 /nfs/dbraw/zinc/60/57/27/573605727.db2.gz GFPOWYSAPKNEOK-NSHDSACASA-N 0 0 194.230 1.960 10 0 ADAERN Cn1ccnc1C[C@H]1CCC(=O)C1 86753684 573605742 /nfs/dbraw/zinc/60/57/42/573605742.db2.gz SNWKWEJBQMJQDG-QMMMGPOBSA-N 0 0 178.235 1.332 10 0 ADAERN Cc1cc(=O)[nH]c2c(O)c(N)ccc12 238447128 573605763 /nfs/dbraw/zinc/60/57/63/573605763.db2.gz BJXYSIBUQDHMFH-UHFFFAOYSA-N 0 0 190.202 1.124 10 0 ADAERN O=C1NC[C@H]2CCc3ccccc3[C@@H]12 197426192 573605766 /nfs/dbraw/zinc/60/57/66/573605766.db2.gz CCCWNNXIKXGDJU-KOLCDFICSA-N 0 0 187.242 1.462 10 0 ADAERN COCC(COC)[C@H](C)C(C)=O 385123049 573605772 /nfs/dbraw/zinc/60/57/72/573605772.db2.gz FVWGUTHDCNNFET-SSDOTTSWSA-N 0 0 174.240 1.121 10 0 ADAERN Nc1cc([C@H]2CCCCS2)[nH]n1 259525444 573605790 /nfs/dbraw/zinc/60/57/90/573605790.db2.gz ARARKUKFXXCPQF-SSDOTTSWSA-N 0 0 183.280 1.950 10 0 ADAERN COC(=O)c1c(C)c(F)c(C)n1C 259525644 573605798 /nfs/dbraw/zinc/60/57/98/573605798.db2.gz DTAAQLCKSOJCQN-UHFFFAOYSA-N 0 0 185.198 1.568 10 0 ADAERN CCn1ccnc1C(=O)[C@H]1CCOC1 83716259 573605804 /nfs/dbraw/zinc/60/58/04/573605804.db2.gz NCNRTWXGVXUMOP-QMMMGPOBSA-N 0 0 194.234 1.122 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CC[N@@H+]2CCCC[C@H]12 107433489 573605807 /nfs/dbraw/zinc/60/58/07/573605807.db2.gz NWVWCAJEBAKHAZ-LPEHRKFASA-N 0 0 197.278 1.582 10 0 ADAERN CCC(CC)CN1CN[C@@H](C)C1=O 130581123 573605809 /nfs/dbraw/zinc/60/58/09/573605809.db2.gz HOGSHXWCLMYIQH-QMMMGPOBSA-N 0 0 184.283 1.200 10 0 ADAERN CCCCC(=O)[C@H]1CCOC1 83716063 573605813 /nfs/dbraw/zinc/60/58/13/573605813.db2.gz NZGGYDAXHDWBMC-QMMMGPOBSA-N 0 0 156.225 1.782 10 0 ADAERN CCC(CC)CN1CNC2(CC2)C1=O 130577504 573605832 /nfs/dbraw/zinc/60/58/32/573605832.db2.gz ATCNCVGRPRCVPG-UHFFFAOYSA-N 0 0 196.294 1.345 10 0 ADAERN Cc1cc(N=O)c(N)cc1N 224386422 573605843 /nfs/dbraw/zinc/60/58/43/573605843.db2.gz CHTKMNJQKXFENT-UHFFFAOYSA-N 0 0 151.169 1.557 10 0 ADAERN C[C@H]1CCCO[C@H]1CCCO 238446708 573605847 /nfs/dbraw/zinc/60/58/47/573605847.db2.gz RBZMXONVICYSHD-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN O[C@H]1COC[C@H]1Cc1ccsc1 687970490 573605879 /nfs/dbraw/zinc/60/58/79/573605879.db2.gz SOLHMWBCWRWBRK-BDAKNGLRSA-N 0 0 184.260 1.298 10 0 ADAERN Cn1ccnc1C[C@H]1CCC[C@H](O)C1 86754482 573605880 /nfs/dbraw/zinc/60/58/80/573605880.db2.gz LNIRGUDCLINWOQ-UWVGGRQHSA-N 0 0 194.278 1.514 10 0 ADAERN COc1c(CO)ccc2c1CCC2 258066934 573605885 /nfs/dbraw/zinc/60/58/85/573605885.db2.gz UBOBGQSEFQTCBE-UHFFFAOYSA-N 0 0 178.231 1.676 10 0 ADAERN Nc1ncnc(OCC2CC2)c1Cl 236395889 573605890 /nfs/dbraw/zinc/60/58/90/573605890.db2.gz XAOGKISWZOULND-UHFFFAOYSA-N 0 0 199.641 1.501 10 0 ADAERN CCOC(=O)[C@@H](c1ccc[nH]1)N(C)C 259140791 573605911 /nfs/dbraw/zinc/60/59/11/573605911.db2.gz KEGUKYDIRWKXFL-SECBINFHSA-N 0 0 196.250 1.181 10 0 ADAERN Cc1cccc([C@H]2CC(=O)N(C)N2)c1 257836587 573605927 /nfs/dbraw/zinc/60/59/27/573605927.db2.gz KVPYKQNDWVLSLV-SNVBAGLBSA-N 0 0 190.246 1.403 10 0 ADAERN C[C@@H]1CCCC12C(=O)CCC2=O 238446790 573605938 /nfs/dbraw/zinc/60/59/38/573605938.db2.gz JKQDVDPWVXKRTI-SSDOTTSWSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1CO)C(=O)C2 238445965 573605958 /nfs/dbraw/zinc/60/59/58/573605958.db2.gz RNZIVQXNVIZKNH-XKSSXDPKSA-N 0 0 168.236 1.374 10 0 ADAERN C[C@H](c1ccccc1F)[C@H]([NH3+])C(=O)[O-] 107433121 573605962 /nfs/dbraw/zinc/60/59/62/573605962.db2.gz HDGZDCZGGLCCOO-MUWHJKNJSA-N 0 0 197.209 1.341 10 0 ADAERN CCCNc1nc([C@H]2CCOC2)no1 83718049 573605963 /nfs/dbraw/zinc/60/59/63/573605963.db2.gz YNBMIJVWPFCEKG-ZETCQYMHSA-N 0 0 197.238 1.395 10 0 ADAERN COc1ccc2c(C=O)ncnc2c1 257836588 573605986 /nfs/dbraw/zinc/60/59/86/573605986.db2.gz KVQCJTBVGLWGFX-UHFFFAOYSA-N 0 0 188.186 1.451 10 0 ADAERN C[C@@H]1[C@@H](O)OC(=O)C12CCCCC2 238445978 573605995 /nfs/dbraw/zinc/60/59/95/573605995.db2.gz XATNWDICIDTTAX-SFYZADRCSA-N 0 0 184.235 1.448 10 0 ADAERN O=Cc1ccccc1C1(CO)CC1 257836326 573606002 /nfs/dbraw/zinc/60/60/02/573606002.db2.gz LCFJBALHMZTAHN-UHFFFAOYSA-N 0 0 176.215 1.523 10 0 ADAERN Cn1ccnc1C[C@H]1CCCC(=O)C1 86753672 573606021 /nfs/dbraw/zinc/60/60/21/573606021.db2.gz RGWSLNBMKDVDKW-VIFPVBQESA-N 0 0 192.262 1.722 10 0 ADAERN C[C@@H](O)c1csc([C@H]2CCOC2)n1 83717974 573606022 /nfs/dbraw/zinc/60/60/22/573606022.db2.gz OLLGEQQUACRXQU-RQJHMYQMSA-N 0 0 199.275 1.700 10 0 ADAERN C[C@@H](c1ccccc1F)[C@H]([NH3+])C(=O)[O-] 107433118 573606031 /nfs/dbraw/zinc/60/60/31/573606031.db2.gz HDGZDCZGGLCCOO-RCOVLWMOSA-N 0 0 197.209 1.341 10 0 ADAERN COCCc1cccc(C2(O)CC2)c1 259525982 573606070 /nfs/dbraw/zinc/60/60/70/573606070.db2.gz TUBXQVFNBNKMDL-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN Cn1nc(C(F)(F)F)c(Cl)c1N 107435541 573606075 /nfs/dbraw/zinc/60/60/75/573606075.db2.gz LSKQZKAZAMAGNY-UHFFFAOYSA-N 0 0 199.563 1.675 10 0 ADAERN Cc1ccc([C@@H](N)NN)c(C)c1C 259525918 573606077 /nfs/dbraw/zinc/60/60/77/573606077.db2.gz SLLGWKJJSWOVNJ-JTQLQIEISA-N 0 0 179.267 1.032 10 0 ADAERN Cc1cccc2c1[C@H](O)N=CN2 238446572 573606116 /nfs/dbraw/zinc/60/61/16/573606116.db2.gz MBCTVGDPZNCEII-VIFPVBQESA-N 0 0 162.192 1.249 10 0 ADAERN CC(C)(C)C(=O)C1(CO)CCC1 259140516 573606117 /nfs/dbraw/zinc/60/61/17/573606117.db2.gz NHPWSAFHUPBVCV-UHFFFAOYSA-N 0 0 170.252 1.764 10 0 ADAERN CNc1nc([C@H]2CCCO2)ns1 83715464 573606120 /nfs/dbraw/zinc/60/61/20/573606120.db2.gz QPQQODDOEMECFH-RXMQYKEDSA-N 0 0 185.252 1.431 10 0 ADAERN C[C@H]1CC[C@H]2CCC=C(C(N)=O)[N@H+]12 238447121 573606128 /nfs/dbraw/zinc/60/61/28/573606128.db2.gz KBOXLQAIKGVDAT-JGVFFNPUSA-N 0 0 180.251 1.002 10 0 ADAERN C[C@H](O)c1cc2cccnc2[nH]1 238446455 573606146 /nfs/dbraw/zinc/60/61/46/573606146.db2.gz JHKCBCMCBWHNRB-LURJTMIESA-N 0 0 162.192 1.616 10 0 ADAERN CCCNc1nc([C@H]2CCCO2)no1 83714776 573606150 /nfs/dbraw/zinc/60/61/50/573606150.db2.gz PVAATCJQHKRBJY-SSDOTTSWSA-N 0 0 197.238 1.743 10 0 ADAERN Cc1ncnc2c1N[C@@H](C)CN2 238447141 573606152 /nfs/dbraw/zinc/60/61/52/573606152.db2.gz RPQREHXDXMOMRB-YFKPBYRVSA-N 0 0 164.212 1.011 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 107433517 573606196 /nfs/dbraw/zinc/60/61/96/573606196.db2.gz YOUPIKJASDVMFD-IVZWLZJFSA-N 0 0 197.278 1.582 10 0 ADAERN CCSc1ncc(O)cn1 75542662 573606197 /nfs/dbraw/zinc/60/61/97/573606197.db2.gz PSKTVUXBXHTWIS-UHFFFAOYSA-N 0 0 156.210 1.294 10 0 ADAERN C[C@H]([NH3+])c1ccc2cccc(N)c2n1 238446067 573606331 /nfs/dbraw/zinc/60/63/31/573606331.db2.gz JRCCIYPLXJMRTF-ZETCQYMHSA-N 0 0 187.246 1.837 10 0 ADAERN C[C@@H](c1ccc(F)cc1)[C@H]([NH3+])C(=O)[O-] 107433108 573606334 /nfs/dbraw/zinc/60/63/34/573606334.db2.gz GZBHQWQTTDWPJO-RCOVLWMOSA-N 0 0 197.209 1.341 10 0 ADAERN C[C@@H](c1cccc(F)c1)[C@H]([NH3+])C(=O)[O-] 107433098 573606504 /nfs/dbraw/zinc/60/65/04/573606504.db2.gz QSHAPPOOWLRLMP-RCOVLWMOSA-N 0 0 197.209 1.341 10 0 ADAERN NOCc1cc(F)cc2c1OCOC2 258071644 573606344 /nfs/dbraw/zinc/60/63/44/573606344.db2.gz IECKWSVTCGTFJS-UHFFFAOYSA-N 0 0 199.181 1.083 10 0 ADAERN C[C@@H]1CCCNC(=O)CCCC1=O 223183019 573606347 /nfs/dbraw/zinc/60/63/47/573606347.db2.gz BZGIIQBSFXQODU-MRVPVSSYSA-N 0 0 183.251 1.272 10 0 ADAERN C[C@H]([NH3+])c1cccc(C2CC2)n1 238446429 573606362 /nfs/dbraw/zinc/60/63/62/573606362.db2.gz VEDCJAZATIBPBU-ZETCQYMHSA-N 0 0 162.236 1.979 10 0 ADAERN CCCSC[C@H]1CN(C)CC[NH2+]1 259123411 573606368 /nfs/dbraw/zinc/60/63/68/573606368.db2.gz CDTPZMIWCMZDDR-SECBINFHSA-N 0 0 188.340 1.033 10 0 ADAERN CNc1nc(C2CC2)co1 258066870 573606389 /nfs/dbraw/zinc/60/63/89/573606389.db2.gz TZZDKHSQMQKJHO-UHFFFAOYSA-N 0 0 138.170 1.594 10 0 ADAERN CC(C)=CC[C@@H]1C[C@H](O)CC[C@@H]1O 147148640 573606405 /nfs/dbraw/zinc/60/64/05/573606405.db2.gz OWPNFFDPVVLGEV-MXWKQRLJSA-N 0 0 184.279 1.865 10 0 ADAERN C[C@@H]1C[C@H](C(C)(C)C)O[C@@H]1O 238447279 573606408 /nfs/dbraw/zinc/60/64/08/573606408.db2.gz YLIOQOGHNXMWQJ-PRJMDXOYSA-N 0 0 158.241 1.776 10 0 ADAERN CC(C)c1ccc(N(C)CNN)cc1 259122998 573606428 /nfs/dbraw/zinc/60/64/28/573606428.db2.gz QCOQIPRHCVNHJP-UHFFFAOYSA-N 0 0 193.294 1.667 10 0 ADAERN COC(=O)c1ccc2c(N)cccn12 259525560 573606459 /nfs/dbraw/zinc/60/64/59/573606459.db2.gz ASIHETMSJZFCSI-UHFFFAOYSA-N 0 0 190.202 1.308 10 0 ADAERN CCC(CC)CN1C(=O)[C@@H](C)N[C@@H]1C 130575311 573606509 /nfs/dbraw/zinc/60/65/09/573606509.db2.gz PRYRBHDHXWSPGJ-BDAKNGLRSA-N 0 0 198.310 1.589 10 0 ADAERN COC(=O)[C@]1([NH3+])CCC[C@@H](C(C)C)C1 107435364 573606469 /nfs/dbraw/zinc/60/64/69/573606469.db2.gz KHYFFTYAKUKUFS-KOLCDFICSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)c1cc[nH]c1 86756712 573606476 /nfs/dbraw/zinc/60/64/76/573606476.db2.gz MRWAUOHBSZHUQW-APPZFPTMSA-N 0 0 179.219 1.622 10 0 ADAERN COC(=O)[C@]1([NH3+])CCC[C@H](C(C)C)C1 107435366 573606479 /nfs/dbraw/zinc/60/64/79/573606479.db2.gz KHYFFTYAKUKUFS-ONGXEEELSA-N 0 0 199.294 1.703 10 0 ADAERN CCCC(C(=O)OCC)=C(N)CC 116317776 573606480 /nfs/dbraw/zinc/60/64/80/573606480.db2.gz ZTWKEWLKUGCBRU-CMDGGOBGSA-N 0 0 185.267 1.972 10 0 ADAERN O=C(CC1CC1)C1CCOCC1 83719080 573608035 /nfs/dbraw/zinc/60/80/35/573608035.db2.gz PDLYPQUVSJFDSE-UHFFFAOYSA-N 0 0 168.236 1.782 10 0 ADAERN C[C@H](Nc1ccc(O)cc1)C(C)(C)O 83726785 573608242 /nfs/dbraw/zinc/60/82/42/573608242.db2.gz ZSCFBDQVCNWFDD-QMMMGPOBSA-N 0 0 195.262 1.964 10 0 ADAERN CCCN(C)C(=O)[C@H](CO)C(C)C 258820733 573608595 /nfs/dbraw/zinc/60/85/95/573608595.db2.gz QXHKCVPIOYVCJA-SECBINFHSA-N 0 0 187.283 1.119 10 0 ADAERN Cc1ccc(C(F)F)nc1N 238448581 573608669 /nfs/dbraw/zinc/60/86/69/573608669.db2.gz TZSGVXSYYBFETL-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CC[C@H](F)CC(C)=O 257837186 573607763 /nfs/dbraw/zinc/60/77/63/573607763.db2.gz MMFXADDVMANSBD-LURJTMIESA-N 0 0 118.151 1.714 10 0 ADAERN CCN1C(=S)N=NC1[C@H]1C[C@@H]1OC 689976185 573607765 /nfs/dbraw/zinc/60/77/65/573607765.db2.gz OAWFVLHGZHUHEE-WDSKDSINSA-N 0 0 199.279 1.089 10 0 ADAERN Cc1cccc(/C=C/CNN)c1 75545450 573608840 /nfs/dbraw/zinc/60/88/40/573608840.db2.gz CCZQNHCPTWAMGH-ZZXKWVIFSA-N 0 0 162.236 1.472 10 0 ADAERN CCCc1nc(C)c(O)c(C)c1CO 142766172 573608917 /nfs/dbraw/zinc/60/89/17/573608917.db2.gz PREQFPSZBRYUAB-UHFFFAOYSA-N 0 0 195.262 1.849 10 0 ADAERN C[C@@]12CC[C@@]1(C)OC(=O)N2 238447693 573608921 /nfs/dbraw/zinc/60/89/21/573608921.db2.gz PSJIUGMPHUTZQD-RNFRBKRXSA-N 0 0 141.170 1.037 10 0 ADAERN CCC(CC)CN1CN[C@@H](CC)C1=O 130578815 573607539 /nfs/dbraw/zinc/60/75/39/573607539.db2.gz HDRXDHUMOJHXCX-JTQLQIEISA-N 0 0 198.310 1.591 10 0 ADAERN CCn1ccnc1C[C@@H]1CCC(=O)C1 86753688 573608613 /nfs/dbraw/zinc/60/86/13/573608613.db2.gz LCSPREUYXSERJQ-SECBINFHSA-N 0 0 192.262 1.815 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)c1ccc[nH]1 86756701 573607520 /nfs/dbraw/zinc/60/75/20/573607520.db2.gz OILNSXZRLTYVQK-HTQZYQBOSA-N 0 0 179.219 1.622 10 0 ADAERN Cc1cc(-c2ccc[nH]2)n(C)n1 259126352 573607541 /nfs/dbraw/zinc/60/75/41/573607541.db2.gz SBNBQJSMPFUSDR-UHFFFAOYSA-N 0 0 161.208 1.724 10 0 ADAERN Cc1cc(=O)[nH]c2nccc(Cl)c12 238447596 573607548 /nfs/dbraw/zinc/60/75/48/573607548.db2.gz DCOGBNAJWTWGOK-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN C[C@H](Nc1cccc(O)c1)C(C)(C)O 83725727 573607552 /nfs/dbraw/zinc/60/75/52/573607552.db2.gz PIODMQKSXFGPAA-QMMMGPOBSA-N 0 0 195.262 1.964 10 0 ADAERN CNc1nc([C@@H]2CCCOC2)no1 83722439 573607601 /nfs/dbraw/zinc/60/76/01/573607601.db2.gz UWKNXWRRCNXGLW-ZCFIWIBFSA-N 0 0 183.211 1.005 10 0 ADAERN CCNc1nc([C@H]2CCOC2)ns1 83718931 573607608 /nfs/dbraw/zinc/60/76/08/573607608.db2.gz UCCSZFUWYDHEOC-LURJTMIESA-N 0 0 199.279 1.474 10 0 ADAERN C[C@@H]1CCCCC(=O)[C@H]1O 238448186 573607616 /nfs/dbraw/zinc/60/76/16/573607616.db2.gz VSCUBIBZAANJHN-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN Nc1cc(C=O)sc1N1CCCC1 75548250 573607617 /nfs/dbraw/zinc/60/76/17/573607617.db2.gz HWKRGUXNBHFLHE-UHFFFAOYSA-N 0 0 196.275 1.743 10 0 ADAERN Cn1cc(C(=O)[C@@H]2CCCOC2)cn1 83720357 573607619 /nfs/dbraw/zinc/60/76/19/573607619.db2.gz PITGRZAFLQXMQZ-MRVPVSSYSA-N 0 0 194.234 1.029 10 0 ADAERN Cn1nccc1C(=O)C1CCOCC1 83719213 573607633 /nfs/dbraw/zinc/60/76/33/573607633.db2.gz PQGUTVZWWXJEFP-UHFFFAOYSA-N 0 0 194.234 1.029 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)c1ccco1 86756646 573608662 /nfs/dbraw/zinc/60/86/62/573608662.db2.gz BQVIJBKQVPVHNE-SFYZADRCSA-N 0 0 180.203 1.887 10 0 ADAERN CC1=CC[C@@H](C(N)=O)C[C@@H](C)C1 238447829 573608663 /nfs/dbraw/zinc/60/86/63/573608663.db2.gz WAUPGKMCWHMORR-DTWKUNHWSA-N 0 0 167.252 1.854 10 0 ADAERN C[C@@H]1CCCCCC(=O)[C@@H](O)C1 238448547 573607644 /nfs/dbraw/zinc/60/76/44/573607644.db2.gz SEWPSFATFOFEAK-SCZZXKLOSA-N 0 0 170.252 1.907 10 0 ADAERN O=Cc1ccnc([C@H]2CCCOC2)n1 83722475 573607645 /nfs/dbraw/zinc/60/76/45/573607645.db2.gz AIUOFGMDKGFKFX-QMMMGPOBSA-N 0 0 192.218 1.183 10 0 ADAERN CCn1ccnc1C[C@@H]1CC[C@@H](O)C1 86754452 573607647 /nfs/dbraw/zinc/60/76/47/573607647.db2.gz JPZDCDUIUAMGLI-NXEZZACHSA-N 0 0 194.278 1.607 10 0 ADAERN O=Cc1cnc(CCC2CC2)nc1 82398765 573607652 /nfs/dbraw/zinc/60/76/52/573607652.db2.gz JQGCSIZJFHEZGX-UHFFFAOYSA-N 0 0 176.219 1.632 10 0 ADAERN CNc1nc(C2CCOCC2)no1 83719857 573608672 /nfs/dbraw/zinc/60/86/72/573608672.db2.gz YLBVZEIVTMIJSH-UHFFFAOYSA-N 0 0 183.211 1.005 10 0 ADAERN CCC(CC)CN1CN[C@H](C)C1=O 130580925 573607675 /nfs/dbraw/zinc/60/76/75/573607675.db2.gz HOGSHXWCLMYIQH-MRVPVSSYSA-N 0 0 184.283 1.200 10 0 ADAERN c1nocc1O[C@@H]1CCCS1 258821287 573607676 /nfs/dbraw/zinc/60/76/76/573607676.db2.gz YSEOHUYZSBGPFC-ZETCQYMHSA-N 0 0 171.221 1.907 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)c1cc[nH]c1 86756710 573607694 /nfs/dbraw/zinc/60/76/94/573607694.db2.gz MRWAUOHBSZHUQW-IONNQARKSA-N 0 0 179.219 1.622 10 0 ADAERN CCNc1nc([C@@H]2CCCOC2)no1 83722444 573607712 /nfs/dbraw/zinc/60/77/12/573607712.db2.gz SBBQCHMKKBSYCT-SSDOTTSWSA-N 0 0 197.238 1.395 10 0 ADAERN NSc1ccc2c(c1)OCCO2 259130629 573608676 /nfs/dbraw/zinc/60/86/76/573608676.db2.gz CVBUWPYJVRQRBH-UHFFFAOYSA-N 0 0 183.232 1.424 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)c1cc[nH]c1 86756707 573607730 /nfs/dbraw/zinc/60/77/30/573607730.db2.gz MRWAUOHBSZHUQW-VXNVDRBHSA-N 0 0 179.219 1.622 10 0 ADAERN C[C@@H]1[C@H]2C=C[C@@H]1C(=O)C2 238448071 573607735 /nfs/dbraw/zinc/60/77/35/573607735.db2.gz SFXVPQBOOXSWGG-VQVTYTSYSA-N 0 0 122.167 1.398 10 0 ADAERN CCn1cc[nH+]c1NCCCC(=O)[O-] 50607594 573607774 /nfs/dbraw/zinc/60/77/74/573607774.db2.gz NGJKJBHJGFHDTK-UHFFFAOYSA-N 0 0 197.238 1.180 10 0 ADAERN Cc1nc(=O)[nH]c2c1CCSCC2 257837322 573607775 /nfs/dbraw/zinc/60/77/75/573607775.db2.gz KZBIFWAKMJLDDP-UHFFFAOYSA-N 0 0 196.275 1.322 10 0 ADAERN COC(=O)CCC(=O)c1ocnc1C 259616355 573607796 /nfs/dbraw/zinc/60/77/96/573607796.db2.gz HOSQFMPETAXNSM-UHFFFAOYSA-N 0 0 197.190 1.119 10 0 ADAERN CC(C)c1nnc([C@H]2CCO[C@@H]2C)[nH]1 86758532 573607799 /nfs/dbraw/zinc/60/77/99/573607799.db2.gz HIDJOWFVRUHZNO-SFYZADRCSA-N 0 0 195.266 1.821 10 0 ADAERN Cc1[nH]c2c(C)cccc2c1C(N)=O 83728631 573607805 /nfs/dbraw/zinc/60/78/05/573607805.db2.gz ZUJQZASZTBVQNF-UHFFFAOYSA-N 0 0 188.230 1.884 10 0 ADAERN CCn1ccnc1CC1=C[C@@H](O)CC1 86754655 573607816 /nfs/dbraw/zinc/60/78/16/573607816.db2.gz YACYRWAZINOGNQ-JTQLQIEISA-N 0 0 192.262 1.527 10 0 ADAERN O=C1[C@H](CO)CCN1c1ccccc1 257837378 573607828 /nfs/dbraw/zinc/60/78/28/573607828.db2.gz LBQJBSTUCOJCNO-VIFPVBQESA-N 0 0 191.230 1.032 10 0 ADAERN C[C@@H]1C[C@H](C(N)=O)[C@@H]2CCC[C@@H]12 238447887 573607841 /nfs/dbraw/zinc/60/78/41/573607841.db2.gz BSSIYEWHOXYJGG-XAVMHZPKSA-N 0 0 167.252 1.544 10 0 ADAERN O=C1COC[C@@H](c2cccc(O)c2)O1 259528019 573607853 /nfs/dbraw/zinc/60/78/53/573607853.db2.gz AXIKUANHKBKTPA-VIFPVBQESA-N 0 0 194.186 1.007 10 0 ADAERN CCC(CC)CN1C(=O)[C@@H](C)N[C@H]1C 130575098 573607857 /nfs/dbraw/zinc/60/78/57/573607857.db2.gz PRYRBHDHXWSPGJ-RKDXNWHRSA-N 0 0 198.310 1.589 10 0 ADAERN C[C@](O)(CO)[C@H]1C=CCCC1 238448617 573607863 /nfs/dbraw/zinc/60/78/63/573607863.db2.gz KIJINTFWQAVFKG-IUCAKERBSA-N 0 0 156.225 1.086 10 0 ADAERN C=Cc1nc([C@@H]2CCCOC2)no1 83720121 573607877 /nfs/dbraw/zinc/60/78/77/573607877.db2.gz DXODHRUDNHCCIM-SSDOTTSWSA-N 0 0 180.207 1.607 10 0 ADAERN COc1ccccc1[C@H](F)CON 259528327 573607883 /nfs/dbraw/zinc/60/78/83/573607883.db2.gz AYACBMMUZHGNIL-MRVPVSSYSA-N 0 0 185.198 1.596 10 0 ADAERN C[C@H](Nc1cccnc1)C(C)(C)O 83724731 573607896 /nfs/dbraw/zinc/60/78/96/573607896.db2.gz OIUWSADHHFHMAO-QMMMGPOBSA-N 0 0 180.251 1.653 10 0 ADAERN Cc1cc(C)c(CO)c(O)c1C 75547239 573607899 /nfs/dbraw/zinc/60/78/99/573607899.db2.gz CGWJJEDZLLPWOD-UHFFFAOYSA-N 0 0 166.220 1.810 10 0 ADAERN C[C@H]1CC[C@H](F)C(=O)C1 142789496 573607910 /nfs/dbraw/zinc/60/79/10/573607910.db2.gz WIVRPTPNLMIYPF-WDSKDSINSA-N 0 0 130.162 1.714 10 0 ADAERN C[C@H](O)C[C@H]1C=CCCS1 238448521 573607941 /nfs/dbraw/zinc/60/79/41/573607941.db2.gz QKEARBBWKKIJNC-JGVFFNPUSA-N 0 0 158.266 1.819 10 0 ADAERN C[C@@H]1OCC[C@H]1c1nnc(N)s1 86758311 573607942 /nfs/dbraw/zinc/60/79/42/573607942.db2.gz XFFUZWLODIBULO-CRCLSJGQSA-N 0 0 185.252 1.013 10 0 ADAERN CCC(CC)CN1C(=O)CN[C@H]1C 130586860 573607953 /nfs/dbraw/zinc/60/79/53/573607953.db2.gz PGQSJMDGGCTJQR-MRVPVSSYSA-N 0 0 184.283 1.200 10 0 ADAERN NC1=NO[C@@H](c2cccc(F)c2)C1 257837094 573607984 /nfs/dbraw/zinc/60/79/84/573607984.db2.gz LHIVQHNYMFGDEE-MRVPVSSYSA-N 0 0 180.182 1.559 10 0 ADAERN COC(=O)S(=O)(=O)C1CCCC1 259130475 573607998 /nfs/dbraw/zinc/60/79/98/573607998.db2.gz CTJRAOMYIKFWQQ-UHFFFAOYSA-N 0 0 192.236 1.110 10 0 ADAERN CC[C@]1(C(=O)OC)CCCCN1 142721318 573608004 /nfs/dbraw/zinc/60/80/04/573608004.db2.gz BDAPWOWLAJBINL-SECBINFHSA-N 0 0 171.240 1.082 10 0 ADAERN CCn1ccnc1C[C@H]1CC[C@@H](O)C1 86754454 573608009 /nfs/dbraw/zinc/60/80/09/573608009.db2.gz JPZDCDUIUAMGLI-VHSXEESVSA-N 0 0 194.278 1.607 10 0 ADAERN O=C1OCCC1=Nc1ccccc1 142733866 573608038 /nfs/dbraw/zinc/60/80/38/573608038.db2.gz AYIOTCHTLHZCOK-UHFFFAOYSA-N 0 0 175.187 1.539 10 0 ADAERN CC(C)[C@@H]1CC[C@](C)(O)C(=O)C1 142766194 573608046 /nfs/dbraw/zinc/60/80/46/573608046.db2.gz HIKBVNQKQKMCBV-SCZZXKLOSA-N 0 0 170.252 1.763 10 0 ADAERN COc1cc2c(c(C)c1C)NC(=O)C2 142734137 573608056 /nfs/dbraw/zinc/60/80/56/573608056.db2.gz WFWKSGRJKQECAT-UHFFFAOYSA-N 0 0 191.230 1.807 10 0 ADAERN Cn1ccnc1C[C@@H]1CCCCC1=O 86753261 573608059 /nfs/dbraw/zinc/60/80/59/573608059.db2.gz RYLFYOVTMVXEOV-VIFPVBQESA-N 0 0 192.262 1.722 10 0 ADAERN CC(C)[C@@]1(O)CC[C@H](C)C(=O)C1 142767354 573608072 /nfs/dbraw/zinc/60/80/72/573608072.db2.gz ORHWGDBAGAMSHU-WCBMZHEXSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H]([NH2+][C@H](C)C(C)(C)C)c1nnn[n-]1 686247325 573608092 /nfs/dbraw/zinc/60/80/92/573608092.db2.gz XLOJQTDHQUEEHL-NKWVEPMBSA-N 0 0 197.286 1.285 10 0 ADAERN O=Cc1cccc(NC(=O)C2CC2)c1 236416425 573608098 /nfs/dbraw/zinc/60/80/98/573608098.db2.gz FSRGTOWKJCAEFM-UHFFFAOYSA-N 0 0 189.214 1.848 10 0 ADAERN CCCC(=O)C1CCC(O)CC1 259126247 573608924 /nfs/dbraw/zinc/60/89/24/573608924.db2.gz JDHGBKYECLHKDU-UHFFFAOYSA-N 0 0 170.252 1.907 10 0 ADAERN OCCSc1cc[nH]c1 259131323 573608131 /nfs/dbraw/zinc/60/81/31/573608131.db2.gz SNIHSXNEJDJTOS-UHFFFAOYSA-N 0 0 143.211 1.099 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@H](O)c1cc[nH]c1 86760332 573608161 /nfs/dbraw/zinc/60/81/61/573608161.db2.gz LAMANONDGGVSBG-FXBDTBDDSA-N 0 0 181.235 1.473 10 0 ADAERN CC(C)(C)[C@@H]([NH3+])C(F)(F)C(=O)[O-] 142722307 573608165 /nfs/dbraw/zinc/60/81/65/573608165.db2.gz PHBBDLGNSJAVJC-SCSAIBSYSA-N 0 0 181.182 1.080 10 0 ADAERN CCC(CC)CN1C(=O)CN[C@@H]1C 130587078 573608171 /nfs/dbraw/zinc/60/81/71/573608171.db2.gz PGQSJMDGGCTJQR-QMMMGPOBSA-N 0 0 184.283 1.200 10 0 ADAERN C[C@H]1C=C[C@@H]2C(=O)C[C@H]12 238448227 573608176 /nfs/dbraw/zinc/60/81/76/573608176.db2.gz NWFCITKKOQUWCD-LYFYHCNISA-N 0 0 122.167 1.398 10 0 ADAERN C[C@@H]1CC[C@@]2(OC2(C)C)[C@@H](O)C1 238447825 573608197 /nfs/dbraw/zinc/60/81/97/573608197.db2.gz UWIHVAMOLYZPJY-KHQFGBGNSA-N 0 0 170.252 1.715 10 0 ADAERN C[C@H](O)C[C@@H](O)OCc1ccccc1 238447468 573608205 /nfs/dbraw/zinc/60/82/05/573608205.db2.gz VCXWMZFTVOUUAO-ONGXEEELSA-N 0 0 196.246 1.293 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@H](O)c1ccc[nH]1 86760328 573609307 /nfs/dbraw/zinc/60/93/07/573609307.db2.gz FUMXJZJKXKJRPH-NRPADANISA-N 0 0 181.235 1.473 10 0 ADAERN Cn1nccc1C(=O)[C@@H]1CCCOC1 83720686 573608939 /nfs/dbraw/zinc/60/89/39/573608939.db2.gz YVMHVMFUDMFPRV-MRVPVSSYSA-N 0 0 194.234 1.029 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)c1ccc[nH]1 86756704 573608223 /nfs/dbraw/zinc/60/82/23/573608223.db2.gz OILNSXZRLTYVQK-SFYZADRCSA-N 0 0 179.219 1.622 10 0 ADAERN CC(=O)c1nc([C@@H]2CCCOC2)no1 83722719 573608224 /nfs/dbraw/zinc/60/82/24/573608224.db2.gz WVQLKPSKKSUBCN-SSDOTTSWSA-N 0 0 196.206 1.166 10 0 ADAERN C[C@](O)(CO)C1([Si](C)(C)C)CC1 238447687 573608226 /nfs/dbraw/zinc/60/82/26/573608226.db2.gz RDOUDITVPULHIA-QMMMGPOBSA-N 0 0 188.343 1.602 10 0 ADAERN C[N@@H+]1CCC=C(C(C)(C)C(=O)[O-])C1 258068599 573608227 /nfs/dbraw/zinc/60/82/27/573608227.db2.gz MDEJNXJXOKILLN-UHFFFAOYSA-N 0 0 183.251 1.359 10 0 ADAERN CSCC(=O)[C@H]1CCO[C@@H]1C 86758142 573608240 /nfs/dbraw/zinc/60/82/40/573608240.db2.gz GYTFECNQQYTBPQ-RQJHMYQMSA-N 0 0 174.265 1.344 10 0 ADAERN C[C@H]1COC(c2ccccc2O)=N1 238447609 573608245 /nfs/dbraw/zinc/60/82/45/573608245.db2.gz KGISVLMJVUIWTL-ZETCQYMHSA-N 0 0 177.203 1.558 10 0 ADAERN CCn1ccnc1C[C@@H]1CC[C@H](O)C1 86754448 573608292 /nfs/dbraw/zinc/60/82/92/573608292.db2.gz JPZDCDUIUAMGLI-ZJUUUORDSA-N 0 0 194.278 1.607 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)OC(C)(C)C 86758909 573608314 /nfs/dbraw/zinc/60/83/14/573608314.db2.gz XUZGIQROJRBPTQ-SFYZADRCSA-N 0 0 186.251 1.753 10 0 ADAERN Cc1ccc2c(c1[C@@H](C)CO)OCO2 258067595 573608319 /nfs/dbraw/zinc/60/83/19/573608319.db2.gz MCDQDAUFQWFBSI-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H]1CCCOC1 83720744 573608325 /nfs/dbraw/zinc/60/83/25/573608325.db2.gz VZPWYNKRYQQPFS-IUCAKERBSA-N 0 0 172.268 1.820 10 0 ADAERN Cn1ccnc1C[C@@H]1CCC(=O)C1 86753682 573608328 /nfs/dbraw/zinc/60/83/28/573608328.db2.gz SNWKWEJBQMJQDG-MRVPVSSYSA-N 0 0 178.235 1.332 10 0 ADAERN CC[C@@H](C[C@H](C)C(=O)[O-])[NH2+]C 259526696 573608331 /nfs/dbraw/zinc/60/83/31/573608331.db2.gz UKUIHALOKUBIHT-BQBZGAKWSA-N 0 0 159.229 1.095 10 0 ADAERN C[C@H](O)Cc1nc2ccccc2n1C 86755466 573608343 /nfs/dbraw/zinc/60/83/43/573608343.db2.gz ZPKAJCCVPBRTJL-QMMMGPOBSA-N 0 0 190.246 1.497 10 0 ADAERN Oc1ccccc1-c1cnon1 75545217 573608350 /nfs/dbraw/zinc/60/83/50/573608350.db2.gz FZSYQWQMOLNSDQ-UHFFFAOYSA-N 0 0 162.148 1.442 10 0 ADAERN O=C([C@H]1CCCOC1)[C@@H]1CCOC1 83720378 573608360 /nfs/dbraw/zinc/60/83/60/573608360.db2.gz LXXDRNJPVULDRH-DTWKUNHWSA-N 0 0 184.235 1.019 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)OCOC2 258068883 573608361 /nfs/dbraw/zinc/60/83/61/573608361.db2.gz UILGNCAEHXEXDX-SSDOTTSWSA-N 0 0 180.203 1.606 10 0 ADAERN C=Cc1nc(C2CCOCC2)no1 83718969 573608377 /nfs/dbraw/zinc/60/83/77/573608377.db2.gz XXVZPVONYJXVPV-UHFFFAOYSA-N 0 0 180.207 1.607 10 0 ADAERN O=C(c1cnccn1)[C@@H]1CCCOC1 83720639 573608383 /nfs/dbraw/zinc/60/83/83/573608383.db2.gz AIVGECPQAUDBQK-MRVPVSSYSA-N 0 0 192.218 1.086 10 0 ADAERN CC1(C)NCc2ccccc2N1 142754274 573608387 /nfs/dbraw/zinc/60/83/87/573608387.db2.gz PYECDLRXBSIOGQ-UHFFFAOYSA-N 0 0 162.236 1.938 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)c1ccc[nH]1 86756706 573608401 /nfs/dbraw/zinc/60/84/01/573608401.db2.gz OILNSXZRLTYVQK-YUMQZZPRSA-N 0 0 179.219 1.622 10 0 ADAERN CC(C)c1nnc([C@H]2CCO[C@H]2C)[nH]1 86758534 573608425 /nfs/dbraw/zinc/60/84/25/573608425.db2.gz HIDJOWFVRUHZNO-YUMQZZPRSA-N 0 0 195.266 1.821 10 0 ADAERN CCc1nnc([C@H]2CCO[C@H]2C)[nH]1 86758527 573608440 /nfs/dbraw/zinc/60/84/40/573608440.db2.gz GBNQMJQLUVMSES-BQBZGAKWSA-N 0 0 181.239 1.260 10 0 ADAERN CC[C@@H](F)CC(C)=O 257837187 573608450 /nfs/dbraw/zinc/60/84/50/573608450.db2.gz MMFXADDVMANSBD-ZCFIWIBFSA-N 0 0 118.151 1.714 10 0 ADAERN Cc1cccc2c1C[NH2+][C@@H]2C(=O)[O-] 238448575 573608454 /nfs/dbraw/zinc/60/84/54/573608454.db2.gz CLYKPABIPUVOJS-VIFPVBQESA-N 0 0 177.203 1.224 10 0 ADAERN COC[C@@]1(O)CCc2ccc(O)cc21 257837328 573608455 /nfs/dbraw/zinc/60/84/55/573608455.db2.gz KZMFOSIRSDSXJM-NSHDSACASA-N 0 0 194.230 1.172 10 0 ADAERN CC[C@@H](C)[C@H](C)NN1CCN(C)CC1 214448133 573608467 /nfs/dbraw/zinc/60/84/67/573608467.db2.gz HWWLITVSMOPZGD-MNOVXSKESA-N 0 0 199.342 1.173 10 0 ADAERN Cc1ccc(C2(O)CC2)c(O)c1C 258068654 573609301 /nfs/dbraw/zinc/60/93/01/573609301.db2.gz UDIWLYQXYVDYNO-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN Cc1cc(C=O)c(C)c(C=O)c1 75545326 573608477 /nfs/dbraw/zinc/60/84/77/573608477.db2.gz QRQWWOMGFKTGTH-UHFFFAOYSA-N 0 0 162.188 1.928 10 0 ADAERN C[C@@H]1CC[C@@]2(CCC(=O)NC2=O)C1 238447510 573608502 /nfs/dbraw/zinc/60/85/02/573608502.db2.gz FLQUUFCAHGCMID-GMSGAONNSA-N 0 0 181.235 1.229 10 0 ADAERN Cc1cc(N)c(N2CCOCC2)s1 75548627 573608519 /nfs/dbraw/zinc/60/85/19/573608519.db2.gz VCIQJSOJJDKPOT-UHFFFAOYSA-N 0 0 198.291 1.475 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1Cc1nccn1C 86753787 573608522 /nfs/dbraw/zinc/60/85/22/573608522.db2.gz WFKGRTKDEHFJBH-DTWKUNHWSA-N 0 0 192.262 1.578 10 0 ADAERN Cc1cc(CON)cc2c1OCO2 258068631 573608524 /nfs/dbraw/zinc/60/85/24/573608524.db2.gz UDAMSDJXRVPVKP-UHFFFAOYSA-N 0 0 181.191 1.114 10 0 ADAERN O=c1[nH]ccn1CC1(C2CC2)CC1 236415495 573608525 /nfs/dbraw/zinc/60/85/25/573608525.db2.gz GRWQHIAAADITKS-UHFFFAOYSA-N 0 0 178.235 1.367 10 0 ADAERN Cn1ccnc1CC1=C[C@@H](O)CCC1 86754643 573608535 /nfs/dbraw/zinc/60/85/35/573608535.db2.gz YNKPYAJUARTNSX-JTQLQIEISA-N 0 0 192.262 1.434 10 0 ADAERN C[C@H]1CO[C@@H](c2ccc(C=O)cc2)O1 238448041 573608554 /nfs/dbraw/zinc/60/85/54/573608554.db2.gz BHNWSXXQFDJSIB-GZMMTYOYSA-N 0 0 192.214 1.933 10 0 ADAERN Cn1ccnc1C[C@H]1CC[C@@H](O)C1 86754463 573608555 /nfs/dbraw/zinc/60/85/55/573608555.db2.gz WRKNTFKYYLLORW-DTWKUNHWSA-N 0 0 180.251 1.124 10 0 ADAERN O=C(c1cncnc1)[C@H]1CCCOC1 83720590 573608560 /nfs/dbraw/zinc/60/85/60/573608560.db2.gz XISOTLMUUFHCDG-QMMMGPOBSA-N 0 0 192.218 1.086 10 0 ADAERN C[C@@H]1CCc2ccc(=O)[nH]c2C1 75545733 573608567 /nfs/dbraw/zinc/60/85/67/573608567.db2.gz NNIRYESZSASAHO-SSDOTTSWSA-N 0 0 163.220 1.500 10 0 ADAERN CCN1CCc2c(CCO)cccc21 258068323 573608575 /nfs/dbraw/zinc/60/85/75/573608575.db2.gz JBJUMPKSHXIQQM-UHFFFAOYSA-N 0 0 191.274 1.604 10 0 ADAERN Cc1nnc([C@@H]2CCO[C@@H]2C)[nH]1 86758512 573608593 /nfs/dbraw/zinc/60/85/93/573608593.db2.gz LJSYWIQEDIKAQL-IYSWYEEDSA-N 0 0 167.212 1.006 10 0 ADAERN CC1(C)Cc2ccc(=O)[nH]c2O1 75546629 573608581 /nfs/dbraw/zinc/60/85/81/573608581.db2.gz FUHAODIFIIQDRT-UHFFFAOYSA-N 0 0 165.192 1.088 10 0 ADAERN O[C@H]1CS[C@H]2CCCC[C@@H]2O1 142786704 573609312 /nfs/dbraw/zinc/60/93/12/573609312.db2.gz CDXXQOITNGCMOA-BIIVOSGPSA-N 0 0 174.265 1.379 10 0 ADAERN COc1ccn2c(C)nnc2c1 258067351 573608761 /nfs/dbraw/zinc/60/87/61/573608761.db2.gz DIQXMWNEGCAIQS-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1Cc1nccn1C 86754632 573608697 /nfs/dbraw/zinc/60/86/97/573608697.db2.gz MBTAYXSPJMKOIW-AEJSXWLSSA-N 0 0 194.278 1.370 10 0 ADAERN COc1c(O)ccc(C)c1CCO 258067499 573608702 /nfs/dbraw/zinc/60/87/02/573608702.db2.gz MAGDXHBCGDOJDM-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN OCC1(C2(C3CCC3)COC2)CC1 259129457 573608713 /nfs/dbraw/zinc/60/87/13/573608713.db2.gz HBRCYALSDRQLAE-UHFFFAOYSA-N 0 0 182.263 1.576 10 0 ADAERN C1=CC2=C3CC4=C([C@H]2N=C1)[C@@H]34 96341687 573608721 /nfs/dbraw/zinc/60/87/21/573608721.db2.gz OCKIMODCXQMMBG-WPRPVWTQSA-N 0 0 141.173 1.636 10 0 ADAERN C[C@H](O)C[C@@H]1CCCCN1Cl 238448043 573608737 /nfs/dbraw/zinc/60/87/37/573608737.db2.gz XJJPQWOJGMUBHA-YUMQZZPRSA-N 0 0 177.675 1.766 10 0 ADAERN COc1ccc(C[C@H]2CCCO2)nn1 259528102 573608740 /nfs/dbraw/zinc/60/87/40/573608740.db2.gz TZXRTPMKPXQWIU-SECBINFHSA-N 0 0 194.234 1.207 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1nnc(N)s1 86758314 573608766 /nfs/dbraw/zinc/60/87/66/573608766.db2.gz XFFUZWLODIBULO-WHFBIAKZSA-N 0 0 185.252 1.013 10 0 ADAERN Cn1ccnc1CC1=C[C@H](O)CCC1 86754641 573608770 /nfs/dbraw/zinc/60/87/70/573608770.db2.gz YNKPYAJUARTNSX-SNVBAGLBSA-N 0 0 192.262 1.434 10 0 ADAERN CCC(CC)CN1CN[C@H](CC)C1=O 130578599 573608796 /nfs/dbraw/zinc/60/87/96/573608796.db2.gz HDRXDHUMOJHXCX-SNVBAGLBSA-N 0 0 198.310 1.591 10 0 ADAERN Cc1cccc2c1CC[C@@H](CO)N2 238447333 573608808 /nfs/dbraw/zinc/60/88/08/573608808.db2.gz OTRAZRWKCWCMAA-VIFPVBQESA-N 0 0 177.247 1.714 10 0 ADAERN O=Cc1cc2c(cc1O)OCC2 75545951 573608828 /nfs/dbraw/zinc/60/88/28/573608828.db2.gz DHAJERZJOZOCKZ-UHFFFAOYSA-N 0 0 164.160 1.140 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@H](O)c1cc[nH]c1 86760336 573608847 /nfs/dbraw/zinc/60/88/47/573608847.db2.gz LAMANONDGGVSBG-UJNFCWOMSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@]1(c2nc(N)n[nH]2)CCCSC1 258069130 573608849 /nfs/dbraw/zinc/60/88/49/573608849.db2.gz LIYDGYRADHSXFN-QMMMGPOBSA-N 0 0 198.295 1.172 10 0 ADAERN c1coc([C@@H]2COCCO2)c1 142769823 573608853 /nfs/dbraw/zinc/60/88/53/573608853.db2.gz NKNZHELEFYDMTE-QMMMGPOBSA-N 0 0 154.165 1.368 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)c1cc[nH]c1 86756714 573608855 /nfs/dbraw/zinc/60/88/55/573608855.db2.gz MRWAUOHBSZHUQW-CBAPKCEASA-N 0 0 179.219 1.622 10 0 ADAERN C[C@H](O)C[C@@H]1CCCCN1N=O 238448062 573608856 /nfs/dbraw/zinc/60/88/56/573608856.db2.gz UMKXYDFQEYEQEA-YUMQZZPRSA-N 0 0 172.228 1.293 10 0 ADAERN Cn1ccnc1CC1=C[C@H](O)CC1 86754657 573608862 /nfs/dbraw/zinc/60/88/62/573608862.db2.gz SNFVDTKHUXLHNW-SECBINFHSA-N 0 0 178.235 1.044 10 0 ADAERN C[C@@H]1C[C@H](C(F)(F)F)C(=O)N1 238447778 573608872 /nfs/dbraw/zinc/60/88/72/573608872.db2.gz BDTKHOXUHPVDQX-DMTCNVIQSA-N 0 0 167.130 1.073 10 0 ADAERN Cc1[nH]c2ncnn2c1NC(C)(C)C 142771188 573608874 /nfs/dbraw/zinc/60/88/74/573608874.db2.gz LSUJCXTZMAUIQP-UHFFFAOYSA-N 0 0 193.254 1.576 10 0 ADAERN O=C([O-])c1ccc(C2=CC[NH2+]C2)cc1 257837358 573608879 /nfs/dbraw/zinc/60/88/79/573608879.db2.gz LAROLXCDTATCAE-UHFFFAOYSA-N 0 0 189.214 1.371 10 0 ADAERN C[C@@H]1CC[C@@]2(CCC[C@@H]2O)C1=O 238447668 573608882 /nfs/dbraw/zinc/60/88/82/573608882.db2.gz BDHVCHWWVJMSOY-KHQFGBGNSA-N 0 0 168.236 1.517 10 0 ADAERN Clc1n[nH]c(C2CCOCC2)n1 83720067 573608888 /nfs/dbraw/zinc/60/88/88/573608888.db2.gz QHCPZEBFTAQMSX-UHFFFAOYSA-N 0 0 187.630 1.352 10 0 ADAERN C[C@H]1COC(c2ccc[nH]2)=N1 238447540 573608913 /nfs/dbraw/zinc/60/89/13/573608913.db2.gz WCJVURDOPBFCOJ-LURJTMIESA-N 0 0 150.181 1.180 10 0 ADAERN CC(C)(C)CC[NH2+]C[C@H]1C[C@@H]1C(=O)[O-] 258821097 573608949 /nfs/dbraw/zinc/60/89/49/573608949.db2.gz GFFURESCOIBALL-BDAKNGLRSA-N 0 0 199.294 1.733 10 0 ADAERN Cc1ccc(C(=O)CC2=NCCO2)o1 259129476 573608956 /nfs/dbraw/zinc/60/89/56/573608956.db2.gz JCLZPODKHIZVJR-UHFFFAOYSA-N 0 0 193.202 1.590 10 0 ADAERN O=CNc1cccc(C2OCCO2)c1 236418788 573608958 /nfs/dbraw/zinc/60/89/58/573608958.db2.gz SSZPFEBOVQKLNT-UHFFFAOYSA-N 0 0 193.202 1.300 10 0 ADAERN C[C@H]1C(=O)[C@H]2C=C[C@@H]1C(=O)C2(C)C 238447880 573608964 /nfs/dbraw/zinc/60/89/64/573608964.db2.gz SJTLYTBFDVRTBH-GJMOJQLCSA-N 0 0 178.231 1.603 10 0 ADAERN CNCC(F)(F)C1CC1 257837119 573608968 /nfs/dbraw/zinc/60/89/68/573608968.db2.gz MGWUWLOFVZGJOR-UHFFFAOYSA-N 0 0 135.157 1.251 10 0 ADAERN Cc1ccc(C(F)F)nc1C(N)=O 238448306 573608982 /nfs/dbraw/zinc/60/89/82/573608982.db2.gz JMSXNMNNGVJYOG-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN Cc1cccc2oc(=NN)[nH]c12 75545676 573608983 /nfs/dbraw/zinc/60/89/83/573608983.db2.gz KXWIXHQWWNPJAU-UHFFFAOYSA-N 0 0 163.180 1.422 10 0 in-vitro ADAERN C[C@@H](Nc1cccnc1)C(C)(C)O 83724732 573609612 /nfs/dbraw/zinc/60/96/12/573609612.db2.gz OIUWSADHHFHMAO-MRVPVSSYSA-N 0 0 180.251 1.653 10 0 ADAERN CCn1ccnc1C[C@H]1CCC[C@H]1O 86753259 573608996 /nfs/dbraw/zinc/60/89/96/573608996.db2.gz BZPASQYQSISLDM-NXEZZACHSA-N 0 0 194.278 1.607 10 0 ADAERN O=Cc1cn(CC2CCCC2)cn1 236419015 573609000 /nfs/dbraw/zinc/60/90/00/573609000.db2.gz VSZZSHDBUPMDAL-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN C[C@H]1OCC[C@@H]1c1nnc(C2CC2)[nH]1 86758548 573609001 /nfs/dbraw/zinc/60/90/01/573609001.db2.gz BINCQXNVCCQKOU-SVRRBLITSA-N 0 0 193.250 1.575 10 0 ADAERN Cc1c(O)cccc1CCON 258068725 573609015 /nfs/dbraw/zinc/60/90/15/573609015.db2.gz UELWOFORFBAGKC-UHFFFAOYSA-N 0 0 167.208 1.133 10 0 ADAERN CC(=O)c1cc(N(C)C)c(N)s1 75548289 573609020 /nfs/dbraw/zinc/60/90/20/573609020.db2.gz WRRHIZYYSQXPJL-UHFFFAOYSA-N 0 0 184.264 1.599 10 0 ADAERN CCn1c(COC)cnc1C 258069390 573609022 /nfs/dbraw/zinc/60/90/22/573609022.db2.gz GSYWWWLIZJDSKC-UHFFFAOYSA-N 0 0 154.213 1.358 10 0 ADAERN CNc1cc(OC)c(OC)cc1C=O 142703091 573609024 /nfs/dbraw/zinc/60/90/24/573609024.db2.gz DEZVYWYRVKMEDZ-UHFFFAOYSA-N 0 0 195.218 1.558 10 0 ADAERN CNc1nc([C@@H]2CCCOC2)ns1 83722867 573609049 /nfs/dbraw/zinc/60/90/49/573609049.db2.gz MLEYLTQTZDTBKK-ZCFIWIBFSA-N 0 0 199.279 1.474 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CCCOC1 83720743 573609057 /nfs/dbraw/zinc/60/90/57/573609057.db2.gz VZPWYNKRYQQPFS-DTWKUNHWSA-N 0 0 172.268 1.820 10 0 ADAERN Clc1nc([C@H]2CCOC2)ns1 83718923 573609064 /nfs/dbraw/zinc/60/90/64/573609064.db2.gz WJQXRGKFHZCWGA-BYPYZUCNSA-N 0 0 190.655 1.695 10 0 ADAERN C[C@@H](O)Cc1nc2ccccc2n1C 86755468 573609070 /nfs/dbraw/zinc/60/90/70/573609070.db2.gz ZPKAJCCVPBRTJL-MRVPVSSYSA-N 0 0 190.246 1.497 10 0 ADAERN O=Cc1ccnc([C@@H]2CCCOC2)n1 83722474 573609076 /nfs/dbraw/zinc/60/90/76/573609076.db2.gz AIUOFGMDKGFKFX-MRVPVSSYSA-N 0 0 192.218 1.183 10 0 ADAERN Cc1cc(=O)[nH]c2occc12 238447704 573609078 /nfs/dbraw/zinc/60/90/78/573609078.db2.gz KGMHNRKSSPPKQM-UHFFFAOYSA-N 0 0 149.149 1.430 10 0 ADAERN O=Cc1cn(Cc2cccs2)cn1 236419631 573609086 /nfs/dbraw/zinc/60/90/86/573609086.db2.gz VWTRSACHLRRORA-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN C[C@]1(C(=O)[O-])[NH2+]C[C@@H]2CCCC[C@@H]21 238447669 573609089 /nfs/dbraw/zinc/60/90/89/573609089.db2.gz WYGSKXGXYGOZAU-NRPADANISA-N 0 0 183.251 1.239 10 0 ADAERN O=C(Cc1ccco1)C[C@@H]1CCCO1 130583528 573609094 /nfs/dbraw/zinc/60/90/94/573609094.db2.gz DUYPXEMRAIVUTN-NSHDSACASA-N 0 0 194.230 1.960 10 0 ADAERN Cc1c(O)cc2c(c1C)N(C=O)CC2 142724497 573609098 /nfs/dbraw/zinc/60/90/98/573609098.db2.gz MDWLHXWBYJDHHQ-UHFFFAOYSA-N 0 0 191.230 1.528 10 0 ADAERN Cn1ccnc1C[C@@H]1CCC[C@@H](O)C1 86754484 573609114 /nfs/dbraw/zinc/60/91/14/573609114.db2.gz LNIRGUDCLINWOQ-NXEZZACHSA-N 0 0 194.278 1.514 10 0 ADAERN O=C1NOC[C@H](c2ccccc2O)O1 257837348 573609122 /nfs/dbraw/zinc/60/91/22/573609122.db2.gz LAEGJXVVORMASX-MRVPVSSYSA-N 0 0 195.174 1.105 10 0 ADAERN Cc1cc([C@H]2COC[C@H]2O)cs1 687970526 573609136 /nfs/dbraw/zinc/60/91/36/573609136.db2.gz TXGSMSXBKNUXEB-RKDXNWHRSA-N 0 0 184.260 1.531 10 0 ADAERN Cc1cccc2c1NC(=O)CC(=O)O2 238447383 573609739 /nfs/dbraw/zinc/60/97/39/573609739.db2.gz NVQWHGOKYLAEOO-UHFFFAOYSA-N 0 0 191.186 1.243 10 0 ADAERN C[C@H](O)c1ccc2n[nH]nc2c1 258068890 573609147 /nfs/dbraw/zinc/60/91/47/573609147.db2.gz UINLLKGBZPLQOP-YFKPBYRVSA-N 0 0 163.180 1.011 10 0 ADAERN Clc1nc([C@@H]2CCOC2)ns1 83718921 573609149 /nfs/dbraw/zinc/60/91/49/573609149.db2.gz WJQXRGKFHZCWGA-SCSAIBSYSA-N 0 0 190.655 1.695 10 0 ADAERN O=C(Cc1ccoc1)C[C@H]1CCCO1 130583324 573609151 /nfs/dbraw/zinc/60/91/51/573609151.db2.gz GFPOWYSAPKNEOK-LLVKDONJSA-N 0 0 194.230 1.960 10 0 ADAERN Cc1cc([C@@H]2COC[C@@H]2O)cs1 687970525 573609152 /nfs/dbraw/zinc/60/91/52/573609152.db2.gz TXGSMSXBKNUXEB-IUCAKERBSA-N 0 0 184.260 1.531 10 0 ADAERN C[C@H]1CCc2ccc(=O)[nH]c2C1 75545735 573609155 /nfs/dbraw/zinc/60/91/55/573609155.db2.gz NNIRYESZSASAHO-ZETCQYMHSA-N 0 0 163.220 1.500 10 0 ADAERN C[C@@H]1CC[C@@]2(NCCS2)C(=O)C1 238447772 573609169 /nfs/dbraw/zinc/60/91/69/573609169.db2.gz FFODJYKJDWOULO-APPZFPTMSA-N 0 0 185.292 1.408 10 0 ADAERN CCCc1nnc([C@@H]2CCO[C@@H]2C)[nH]1 86758536 573609171 /nfs/dbraw/zinc/60/91/71/573609171.db2.gz CQFXBWYYXTWTJI-HTQZYQBOSA-N 0 0 195.266 1.650 10 0 ADAERN CCn1ccnc1C[C@H]1CCC(=O)C1 86753690 573609186 /nfs/dbraw/zinc/60/91/86/573609186.db2.gz LCSPREUYXSERJQ-VIFPVBQESA-N 0 0 192.262 1.815 10 0 ADAERN CC(C)(C)CC[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 258821108 573609193 /nfs/dbraw/zinc/60/91/93/573609193.db2.gz GFFURESCOIBALL-IUCAKERBSA-N 0 0 199.294 1.733 10 0 ADAERN C[C@H](CO)C(C)(C)Cl 142744937 573609207 /nfs/dbraw/zinc/60/92/07/573609207.db2.gz SYDMCDKSOZLBQT-RXMQYKEDSA-N 0 0 136.622 1.632 10 0 ADAERN CCn1ccnc1C[C@H]1CC[C@H](O)C1 86754450 573609217 /nfs/dbraw/zinc/60/92/17/573609217.db2.gz JPZDCDUIUAMGLI-UWVGGRQHSA-N 0 0 194.278 1.607 10 0 ADAERN CCc1nnc([C@@H]2CCO[C@H]2C)[nH]1 86758525 573609236 /nfs/dbraw/zinc/60/92/36/573609236.db2.gz GBNQMJQLUVMSES-NKWVEPMBSA-N 0 0 181.239 1.260 10 0 ADAERN Cc1ccc(CO)c(O)c1F 258068842 573609241 /nfs/dbraw/zinc/60/92/41/573609241.db2.gz UHLBSUREXKJMET-UHFFFAOYSA-N 0 0 156.156 1.332 10 0 ADAERN C[C@H]1C=NO[C@]1(O)c1ccccc1O 238448611 573609243 /nfs/dbraw/zinc/60/92/43/573609243.db2.gz YLKXJVZLSYLOFP-XVKPBYJWSA-N 0 0 193.202 1.189 10 0 ADAERN Cn1cc(N)c(-c2cccc(N)c2)c1 258068021 573609250 /nfs/dbraw/zinc/60/92/50/573609250.db2.gz HCWLWEXXNGRMQG-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN C[C@@H]1CCCCC(=O)[C@@H]1O 238448148 573609252 /nfs/dbraw/zinc/60/92/52/573609252.db2.gz VSCUBIBZAANJHN-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN CC(C)(CO)c1ccccc1O 75547256 573609253 /nfs/dbraw/zinc/60/92/53/573609253.db2.gz WENKUOBYVZCMLU-UHFFFAOYSA-N 0 0 166.220 1.662 10 0 ADAERN Cn1ccnc1C[C@@H]1CCC[C@H](O)C1 86754480 573609254 /nfs/dbraw/zinc/60/92/54/573609254.db2.gz LNIRGUDCLINWOQ-ZJUUUORDSA-N 0 0 194.278 1.514 10 0 ADAERN C[C@](O)(CO)[C@@]1(C)CC1(Cl)Cl 238448679 573609287 /nfs/dbraw/zinc/60/92/87/573609287.db2.gz YONPAJOPYLPBKN-RITPCOANSA-N 0 0 199.077 1.314 10 0 ADAERN C[C@H](O)[C@@H](O)c1ccc(F)cc1 142789301 573609295 /nfs/dbraw/zinc/60/92/95/573609295.db2.gz LZRDVYWKYXGDNE-IMTBSYHQSA-N 0 0 170.183 1.240 10 0 ADAERN CCCc1nnc([C@H]2CCO[C@@H]2C)[nH]1 86758538 573609351 /nfs/dbraw/zinc/60/93/51/573609351.db2.gz CQFXBWYYXTWTJI-SFYZADRCSA-N 0 0 195.266 1.650 10 0 ADAERN O=Cc1ccc(-c2ncco2)o1 75545584 573609374 /nfs/dbraw/zinc/60/93/74/573609374.db2.gz JHOLIOCIYQPIEN-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN CC[C@@H](Nc1[nH+]ccn1CC)C(=O)[O-] 50607626 573609376 /nfs/dbraw/zinc/60/93/76/573609376.db2.gz SHWRTGOQSBCFST-SSDOTTSWSA-N 0 0 197.238 1.178 10 0 ADAERN C[C@H]1OCC[C@H]1c1nnc(N)s1 86758308 573609381 /nfs/dbraw/zinc/60/93/81/573609381.db2.gz XFFUZWLODIBULO-RFZPGFLSSA-N 0 0 185.252 1.013 10 0 ADAERN NOCc1coc2ccc(F)cc12 258069268 573609382 /nfs/dbraw/zinc/60/93/82/573609382.db2.gz GRXGGKGFNVPRDC-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN Nc1cc(O)c2cc(O)ccc2c1 257837027 573609384 /nfs/dbraw/zinc/60/93/84/573609384.db2.gz LFAOBFUETYNKQE-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Cn1cc(C(=O)[C@H]2CCCOC2)cn1 83720358 573609388 /nfs/dbraw/zinc/60/93/88/573609388.db2.gz PITGRZAFLQXMQZ-QMMMGPOBSA-N 0 0 194.234 1.029 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1/C=C/CO 238447321 573609393 /nfs/dbraw/zinc/60/93/93/573609393.db2.gz IIEWEKRLXJEIGP-TZIBCRCASA-N 0 0 154.209 1.150 10 0 ADAERN O=c1[nH]ccnc1OCC1CCCC1 236416829 573609394 /nfs/dbraw/zinc/60/93/94/573609394.db2.gz BQWPRTYLOGIMPT-UHFFFAOYSA-N 0 0 194.234 1.339 10 0 ADAERN C[C@H](O)c1nc(C2CCOCC2)no1 83720015 573609397 /nfs/dbraw/zinc/60/93/97/573609397.db2.gz RWORDKVTRQFQQX-LURJTMIESA-N 0 0 198.222 1.017 10 0 ADAERN Cc1ccc(C(F)F)nc1CO 238448495 573609399 /nfs/dbraw/zinc/60/93/99/573609399.db2.gz MORXVIINXBOVDJ-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN CCC(CC)CN1CCNC1=O 130573411 573609420 /nfs/dbraw/zinc/60/94/20/573609420.db2.gz MKTHKXZIAIZPAX-UHFFFAOYSA-N 0 0 170.256 1.448 10 0 ADAERN C[C@@H](OC(=O)C=O)C(C)(C)C 75543468 573609425 /nfs/dbraw/zinc/60/94/25/573609425.db2.gz NVCAXWFJNLQSLR-ZCFIWIBFSA-N 0 0 158.197 1.163 10 0 ADAERN Cc1cn(C)c(=O)c2ccc(O)cc12 258069274 573609430 /nfs/dbraw/zinc/60/94/30/573609430.db2.gz HOXYAKFWVDPTMC-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN COc1cc(C2(O)CC2)cc(F)c1O 258067395 573609442 /nfs/dbraw/zinc/60/94/42/573609442.db2.gz LXLDJBPRBLWPTN-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN CCOCc1cnc(C)n1C 258069380 573609745 /nfs/dbraw/zinc/60/97/45/573609745.db2.gz GSVHOIBARJPNMC-UHFFFAOYSA-N 0 0 154.213 1.265 10 0 ADAERN C[C@H]1COC(c2ccc(O)cc2)=N1 238447482 573609746 /nfs/dbraw/zinc/60/97/46/573609746.db2.gz YQXFOLGFFXSGMQ-ZETCQYMHSA-N 0 0 177.203 1.558 10 0 ADAERN O=C(CC1CC1)[C@@H]1CCCOC1 83720355 573609480 /nfs/dbraw/zinc/60/94/80/573609480.db2.gz WCRVGHCLBJNBNC-SECBINFHSA-N 0 0 168.236 1.782 10 0 ADAERN Cc1ccc(C(F)F)c(CO)n1 238447753 573609493 /nfs/dbraw/zinc/60/94/93/573609493.db2.gz BTBDLYZCEBJESU-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN O=Cc1ccnc(C2CCOCC2)n1 83719875 573609494 /nfs/dbraw/zinc/60/94/94/573609494.db2.gz FFXMPWUGGNSDHQ-UHFFFAOYSA-N 0 0 192.218 1.183 10 0 ADAERN OCc1ccc2c(c1F)OCCO2 258070170 573609504 /nfs/dbraw/zinc/60/95/04/573609504.db2.gz MCOBWEWZXSCASC-UHFFFAOYSA-N 0 0 184.166 1.089 10 0 ADAERN C[C@H]1C(=O)[C@@H]2CCC[C@H]12 238447708 573609507 /nfs/dbraw/zinc/60/95/07/573609507.db2.gz NVHFIURKJYRESS-FSDSQADBSA-N 0 0 124.183 1.622 10 0 ADAERN C[C@@H]1[C@@H]2CCCC[C@@H](O)[C@H]21 238448452 573609514 /nfs/dbraw/zinc/60/95/14/573609514.db2.gz WRPUBVYRTMFCOC-XAVMHZPKSA-N 0 0 140.226 1.803 10 0 ADAERN CN[C@H](C)c1noc(CC(C)(C)C)n1 258068595 573609518 /nfs/dbraw/zinc/60/95/18/573609518.db2.gz QGEQJYUIJVGQGF-SSDOTTSWSA-N 0 0 197.282 1.939 10 0 ADAERN CC[C@H](C)[C@H](C)NN1CCN(C)CC1 214448188 573609596 /nfs/dbraw/zinc/60/95/96/573609596.db2.gz HWWLITVSMOPZGD-QWRGUYRKSA-N 0 0 199.342 1.173 10 0 ADAERN C[C@H](C[C@@H]1CNc2ccccc21)NO 238447996 573609562 /nfs/dbraw/zinc/60/95/62/573609562.db2.gz CRKSITCSMFVPGM-RKDXNWHRSA-N 0 0 192.262 1.953 10 0 ADAERN C[C@H]1CO[C@H](c2ccc(C=O)cc2)O1 238448610 573609574 /nfs/dbraw/zinc/60/95/74/573609574.db2.gz BHNWSXXQFDJSIB-KWQFWETISA-N 0 0 192.214 1.933 10 0 ADAERN O=C(c1ccoc1)[C@@H]1CCCOC1 83720387 573609581 /nfs/dbraw/zinc/60/95/81/573609581.db2.gz USWRTJZKYHPBQY-MRVPVSSYSA-N 0 0 180.203 1.889 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)OC(C)(C)C 86758905 573609627 /nfs/dbraw/zinc/60/96/27/573609627.db2.gz XUZGIQROJRBPTQ-HTQZYQBOSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@H](O)C[C@@H]1CC(C)(C)CC(=O)N1 238447812 573609652 /nfs/dbraw/zinc/60/96/52/573609652.db2.gz HOYDFZVVWJMNJM-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN CC(=O)Cc1nc2ccccc2n1C 86755510 573609660 /nfs/dbraw/zinc/60/96/60/573609660.db2.gz HMXSVIATWBYXNT-UHFFFAOYSA-N 0 0 188.230 1.705 10 0 ADAERN C[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@@H]2CCCC[C@@H]12 238448568 573609666 /nfs/dbraw/zinc/60/96/66/573609666.db2.gz UUCCLODJRXZNLY-UTINFBMNSA-N 0 0 197.278 1.628 10 0 ADAERN CC1=NC[C@@H]2[C@@H](C)C(=O)[C@@]12C 238448570 573609682 /nfs/dbraw/zinc/60/96/82/573609682.db2.gz BKJUIRKNLCMDJU-FKBGGTMYSA-N 0 0 151.209 1.302 10 0 ADAERN O=c1[nH]cccc1-n1cccc1 75544436 573609691 /nfs/dbraw/zinc/60/96/91/573609691.db2.gz JQTFUFVWXBHGDR-UHFFFAOYSA-N 0 0 160.176 1.166 10 0 ADAERN COCc1cc(Cl)cnn1 259527044 573609694 /nfs/dbraw/zinc/60/96/94/573609694.db2.gz TZNOXAACGJSZMB-UHFFFAOYSA-N 0 0 158.588 1.276 10 0 ADAERN O=C(C1CCOCC1)[C@H]1CCCOC1 83720533 573609704 /nfs/dbraw/zinc/60/97/04/573609704.db2.gz GKIFTNVSZVLBAV-JTQLQIEISA-N 0 0 198.262 1.409 10 0 ADAERN Cc1n[nH]c(C)c1N[C@@H](C)C(C)(C)O 83726234 573609713 /nfs/dbraw/zinc/60/97/13/573609713.db2.gz PVBWMSVFUNGZIW-QMMMGPOBSA-N 0 0 197.282 1.598 10 0 ADAERN COC[C@]1(O)CCc2ccc(O)cc21 257837327 573609717 /nfs/dbraw/zinc/60/97/17/573609717.db2.gz KZMFOSIRSDSXJM-LLVKDONJSA-N 0 0 194.230 1.172 10 0 ADAERN COC(=O)c1ccc2cc(C)nn2c1 259528304 573609720 /nfs/dbraw/zinc/60/97/20/573609720.db2.gz DZTNDTBGGISVTQ-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CCn1ccnc1C[C@@H]1CCCC1=O 86753280 573609723 /nfs/dbraw/zinc/60/97/23/573609723.db2.gz QWDURSHUIYBFAW-VIFPVBQESA-N 0 0 192.262 1.815 10 0 ADAERN CCCc1cc(C)nc(=O)[nH]1 259128681 573611031 /nfs/dbraw/zinc/61/10/31/573611031.db2.gz QBVQVVQQKDILOP-UHFFFAOYSA-N 0 0 152.197 1.443 10 0 ADAERN CC1(C)[C@@H](CO)CCC[C@@]1(C)O 142703148 573611035 /nfs/dbraw/zinc/61/10/35/573611035.db2.gz JOHQZCCLPQQNAY-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN O=Cc1ncc2cccc(O)c2n1 142742775 573611014 /nfs/dbraw/zinc/61/10/14/573611014.db2.gz PDLYVGWHZULZAE-UHFFFAOYSA-N 0 0 174.159 1.148 10 0 ADAERN COc1c(O)c(C)cc(CO)c1F 258067564 573610481 /nfs/dbraw/zinc/61/04/81/573610481.db2.gz MBIXQWFNNGBFCR-UHFFFAOYSA-N 0 0 186.182 1.341 10 0 ADAERN CCCN(C)C(=O)[C@@H](CO)C(C)C 258820734 573610526 /nfs/dbraw/zinc/61/05/26/573610526.db2.gz QXHKCVPIOYVCJA-VIFPVBQESA-N 0 0 187.283 1.119 10 0 ADAERN C[C@@H]1CN=C(c2ccccc2O)OC1 238447632 573610534 /nfs/dbraw/zinc/61/05/34/573610534.db2.gz GBYALCCJIMWFSR-MRVPVSSYSA-N 0 0 191.230 1.805 10 0 ADAERN C[C@@H](N)C(F)(F)c1ccncc1 259127429 573610540 /nfs/dbraw/zinc/61/05/40/573610540.db2.gz LMIGSDIEDKLGFM-ZCFIWIBFSA-N 0 0 172.178 1.521 10 0 ADAERN C[C@@H](O)[C@@H](O)c1ccc(F)cc1 142789485 573610567 /nfs/dbraw/zinc/61/05/67/573610567.db2.gz LZRDVYWKYXGDNE-HZGVNTEJSA-N 0 0 170.183 1.240 10 0 ADAERN CC1(C)C[C@@H](NN)CCS1 75544783 573610580 /nfs/dbraw/zinc/61/05/80/573610580.db2.gz NXCLKLXZQDQFFD-LURJTMIESA-N 0 0 160.286 1.124 10 0 ADAERN CC[C@H](C)OC[C@@H](O)COC(C)C 238286444 573610581 /nfs/dbraw/zinc/61/05/81/573610581.db2.gz SQLKFPLIWNJPAG-UWVGGRQHSA-N 0 0 190.283 1.587 10 0 ADAERN C[C@H](O)c1ccc(N2CCOCC2)o1 238448512 573610610 /nfs/dbraw/zinc/61/06/10/573610610.db2.gz RESDNGYPBXYSFU-QMMMGPOBSA-N 0 0 197.234 1.170 10 0 ADAERN c1nscc1OC[C@@H]1CCCOC1 258821306 573610613 /nfs/dbraw/zinc/61/06/13/573610613.db2.gz YSMCIOBGCVBYST-MRVPVSSYSA-N 0 0 199.275 1.949 10 0 ADAERN CCN(CC)c1c(C=O)cc(N)n1C 75557402 573611018 /nfs/dbraw/zinc/61/10/18/573611018.db2.gz NLEPGUCFACCNLU-UHFFFAOYSA-N 0 0 195.266 1.266 10 0 ADAERN CC(=O)SCCCCO 142766171 573610617 /nfs/dbraw/zinc/61/06/17/573610617.db2.gz WWHRFAKTDQHEJY-UHFFFAOYSA-N 0 0 148.227 1.039 10 0 ADAERN Cc1n[nH]c(C)c1N[C@H](C)C(C)(C)O 83726238 573610640 /nfs/dbraw/zinc/61/06/40/573610640.db2.gz PVBWMSVFUNGZIW-MRVPVSSYSA-N 0 0 197.282 1.598 10 0 ADAERN Fc1ncccc1[C@@H]1CCOC1 142737751 573610641 /nfs/dbraw/zinc/61/06/41/573610641.db2.gz PJBLIRKSJUSNHZ-SSDOTTSWSA-N 0 0 167.183 1.725 10 0 ADAERN C[C@H](O)C[C@@H]1CC(=O)OC1(C)C 238447797 573610646 /nfs/dbraw/zinc/61/06/46/573610646.db2.gz HAGIBPFBIVOSJV-NKWVEPMBSA-N 0 0 172.224 1.099 10 0 ADAERN O[C@H]1CCCN(c2cccnc2)C1 142707766 573610651 /nfs/dbraw/zinc/61/06/51/573610651.db2.gz HVLYUCOOFZALOO-JTQLQIEISA-N 0 0 178.235 1.043 10 0 ADAERN C[C@H]1C(=O)C[C@H]2[C@@H]1CC[C@@]2(C)O 238448370 573610674 /nfs/dbraw/zinc/61/06/74/573610674.db2.gz MMXWQROLGOLSTD-BDNRQGISSA-N 0 0 168.236 1.373 10 0 ADAERN O[C@H](CC1CC1)[C@@H]1CCCOC1 83720749 573610693 /nfs/dbraw/zinc/61/06/93/573610693.db2.gz RTQXNPADPCXDRH-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@@H]1COC(=O)N1c1ccccc1O 257837401 573610694 /nfs/dbraw/zinc/61/06/94/573610694.db2.gz LCPSBCUVHPKHBH-SSDOTTSWSA-N 0 0 193.202 1.737 10 0 ADAERN O=Cc1cn(Cc2ccncc2)cn1 236419655 573610695 /nfs/dbraw/zinc/61/06/95/573610695.db2.gz XXONIQRLNKJVLN-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN O=C(c1cccnc1)[C@@H]1CCCOC1 83720510 573610699 /nfs/dbraw/zinc/61/06/99/573610699.db2.gz AEZARGAXLZCKPN-SNVBAGLBSA-N 0 0 191.230 1.691 10 0 ADAERN O=Cc1nn(C2CC2)c2c1CCCC2 257837352 573610708 /nfs/dbraw/zinc/61/07/08/573610708.db2.gz LAIZCXONEWKOQA-UHFFFAOYSA-N 0 0 190.246 1.909 10 0 ADAERN CC(C)[C@H]([NH3+])[C@H](C(=O)[O-])C(C)C 259129842 573610731 /nfs/dbraw/zinc/61/07/31/573610731.db2.gz ATJOACGGSCQMLC-SFYZADRCSA-N 0 0 173.256 1.327 10 0 ADAERN COc1c(F)ccc2c1OCO2 238448372 573610734 /nfs/dbraw/zinc/61/07/34/573610734.db2.gz FMWDWSRYUPZESS-UHFFFAOYSA-N 0 0 170.139 1.563 10 0 ADAERN C[N@H+](C[C@H]1C[C@H]1C(=O)[O-])C(C)(C)C 258823254 573610737 /nfs/dbraw/zinc/61/07/37/573610737.db2.gz GKGLQKCASADLJW-HTQZYQBOSA-N 0 0 185.267 1.437 10 0 ADAERN Nc1cc(Cl)c(=O)n2c1CCC2 258068826 573610738 /nfs/dbraw/zinc/61/07/38/573610738.db2.gz UGOPOJZWWYLKHY-UHFFFAOYSA-N 0 0 184.626 1.030 10 0 ADAERN CC1(C)COc2c(N)cccc21 75545720 573610746 /nfs/dbraw/zinc/61/07/46/573610746.db2.gz ZNEOVKRDEYHADH-UHFFFAOYSA-N 0 0 163.220 1.939 10 0 ADAERN C[C@H](CO)c1ccc([C@@H](C)O)cc1 258068880 573610755 /nfs/dbraw/zinc/61/07/55/573610755.db2.gz UIFPINQHUHTFEI-RKDXNWHRSA-N 0 0 180.247 1.836 10 0 ADAERN Cc1nc([C@@]2(C)CCOC2)oc1C=O 258068980 573611020 /nfs/dbraw/zinc/61/10/20/573611020.db2.gz LFOBELPKULIYRD-JTQLQIEISA-N 0 0 195.218 1.474 10 0 ADAERN C[C@H]1COC(=O)N1c1ccccc1O 257837402 573610770 /nfs/dbraw/zinc/61/07/70/573610770.db2.gz LCPSBCUVHPKHBH-ZETCQYMHSA-N 0 0 193.202 1.737 10 0 ADAERN O=C([C@H]1CCOC1)[C@@H]1CCCOC1 83720385 573610776 /nfs/dbraw/zinc/61/07/76/573610776.db2.gz LXXDRNJPVULDRH-BDAKNGLRSA-N 0 0 184.235 1.019 10 0 ADAERN C[C@H]1OCC[C@@H]1c1cnc(CN)o1 86762297 573610800 /nfs/dbraw/zinc/61/08/00/573610800.db2.gz VZGPLMFYCRPRAY-RQJHMYQMSA-N 0 0 182.223 1.026 10 0 ADAERN C1=CC2=C3CC4=C([C@H]2N=C1)[C@H]34 96341685 573610811 /nfs/dbraw/zinc/61/08/11/573610811.db2.gz OCKIMODCXQMMBG-SCZZXKLOSA-N 0 0 141.173 1.636 10 0 ADAERN CNc1nc([C@H]2CCCOC2)no1 83722442 573610821 /nfs/dbraw/zinc/61/08/21/573610821.db2.gz UWKNXWRRCNXGLW-LURJTMIESA-N 0 0 183.211 1.005 10 0 ADAERN Cn1cc(-c2ccc(O)cc2)cc1N 258067801 573610823 /nfs/dbraw/zinc/61/08/23/573610823.db2.gz GYONZGRSWFWYNO-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN COCCc1ccco1 142780211 573610824 /nfs/dbraw/zinc/61/08/24/573610824.db2.gz PCQFPSGADXDZHR-UHFFFAOYSA-N 0 0 126.155 1.469 10 0 ADAERN OCC1(CNc2ccc[nH]2)CCC1 259125370 573610827 /nfs/dbraw/zinc/61/08/27/573610827.db2.gz YRGKGAVJQZPNIK-UHFFFAOYSA-N 0 0 180.251 1.589 10 0 ADAERN CC(C)c1cnc(NC#N)nc1 259126827 573610848 /nfs/dbraw/zinc/61/08/48/573610848.db2.gz CHCJGIBMKNNBRO-UHFFFAOYSA-N 0 0 162.196 1.493 10 0 ADAERN CC(C)Cc1ccc([C@H](N)NN)cc1 259125598 573610855 /nfs/dbraw/zinc/61/08/55/573610855.db2.gz AQQKBFKDWRYYFT-LLVKDONJSA-N 0 0 193.294 1.306 10 0 ADAERN CCNc1ncc(COC)s1 86766675 573610858 /nfs/dbraw/zinc/61/08/58/573610858.db2.gz XUJIUOVYJNQAFK-UHFFFAOYSA-N 0 0 172.253 1.721 10 0 ADAERN CCn1cc(N[C@@H](C)C(C)(C)O)cn1 83726214 573610862 /nfs/dbraw/zinc/61/08/62/573610862.db2.gz WWLDNYYZFQBCSF-QMMMGPOBSA-N 0 0 197.282 1.474 10 0 ADAERN CC(C)[C@@H]1CC[C@@](C)(O)C(=O)C1 142765769 573610881 /nfs/dbraw/zinc/61/08/81/573610881.db2.gz HIKBVNQKQKMCBV-PSASIEDQSA-N 0 0 170.252 1.763 10 0 ADAERN Cn1ccc(N[C@@H]2CCCC[C@@H]2O)n1 86780363 573610892 /nfs/dbraw/zinc/61/08/92/573610892.db2.gz BYRMKJNYKHZFQR-BDAKNGLRSA-N 0 0 195.266 1.136 10 0 ADAERN 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ADAERN CCc1cc(CC)nc(NC(N)=O)n1 142781710 573612224 /nfs/dbraw/zinc/61/22/24/573612224.db2.gz RLOBNVYFRSEWGN-UHFFFAOYSA-N 0 0 194.238 1.092 10 0 ADAERN C[C@H](O)c1ccc([C@@H](C)CO)cc1 258068877 573612303 /nfs/dbraw/zinc/61/23/03/573612303.db2.gz UIFPINQHUHTFEI-IUCAKERBSA-N 0 0 180.247 1.836 10 0 ADAERN CC(C)[C@@H]([NH3+])[C@H](C(=O)[O-])C(C)C 259129835 573612335 /nfs/dbraw/zinc/61/23/35/573612335.db2.gz ATJOACGGSCQMLC-HTQZYQBOSA-N 0 0 173.256 1.327 10 0 ADAERN CCCNc1ncc(CO)s1 86766863 573612428 /nfs/dbraw/zinc/61/24/28/573612428.db2.gz CJKSKRROLJYTPG-UHFFFAOYSA-N 0 0 172.253 1.457 10 0 ADAERN COc1c(C=O)cc2c(c1F)OCO2 258068661 573611848 /nfs/dbraw/zinc/61/18/48/573611848.db2.gz UDIXJRNTBANDRY-UHFFFAOYSA-N 0 0 198.149 1.376 10 0 ADAERN O=Cc1cn(Cc2ccccn2)cn1 236419597 573611882 /nfs/dbraw/zinc/61/18/82/573611882.db2.gz QBMMCNYVBJPRNJ-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN C[C@H]1CC(=O)C(C)(C)[C@H]1CO 238449378 573611905 /nfs/dbraw/zinc/61/19/05/573611905.db2.gz 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/nfs/dbraw/zinc/61/22/50/573612250.db2.gz FTDVIRQBJDTAAD-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN CNc1cc(-c2ccc[nH]2)[nH]n1 259129531 573612255 /nfs/dbraw/zinc/61/22/55/573612255.db2.gz JDCFRCBSVBNPJB-UHFFFAOYSA-N 0 0 162.196 1.447 10 0 ADAERN O=Cc1ccc(Sc2ncc[nH]2)o1 236416017 573612259 /nfs/dbraw/zinc/61/22/59/573612259.db2.gz QKCGESPZTTVBAN-UHFFFAOYSA-N 0 0 194.215 1.966 10 0 ADAERN COC(=O)c1noc2c1CSCC2 259616406 573612260 /nfs/dbraw/zinc/61/22/60/573612260.db2.gz HPENDJAFWUUCIH-UHFFFAOYSA-N 0 0 199.231 1.251 10 0 ADAERN CCCc1c[nH]c(CCCO)n1 259129214 573612269 /nfs/dbraw/zinc/61/22/69/573612269.db2.gz QRUBSEUQFFJCBU-UHFFFAOYSA-N 0 0 168.240 1.287 10 0 ADAERN C1=CC2=C3CC4=C([C@@H]2N=C1)[C@H]34 96341686 573612280 /nfs/dbraw/zinc/61/22/80/573612280.db2.gz OCKIMODCXQMMBG-PSASIEDQSA-N 0 0 141.173 1.636 10 0 ADAERN O[C@@H]1CCCN(c2cccnc2)C1 142707637 573612291 /nfs/dbraw/zinc/61/22/91/573612291.db2.gz HVLYUCOOFZALOO-SNVBAGLBSA-N 0 0 178.235 1.043 10 0 ADAERN C[C@]1(C2CCC(=O)CC2)CO1 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86780103 573612453 /nfs/dbraw/zinc/61/24/53/573612453.db2.gz QXXLBNTWCKETQU-UHFFFAOYSA-N 0 0 179.145 1.394 10 0 ADAERN C[Si](C)(C)[C@H](O)CC1=NOCC1 238449074 573612461 /nfs/dbraw/zinc/61/24/61/573612461.db2.gz LEWDYUZJBKYEAL-QMMMGPOBSA-N 0 0 187.315 1.391 10 0 ADAERN C[C@H]1CCn2c(cnc2CCO)C1 258067543 573612466 /nfs/dbraw/zinc/61/24/66/573612466.db2.gz DKKQREHZHOEZJM-QMMMGPOBSA-N 0 0 180.251 1.000 10 0 ADAERN Nc1ccc2nc(N3CCC3)oc2c1 224382251 573612467 /nfs/dbraw/zinc/61/24/67/573612467.db2.gz SEHBHRCRJJOVBJ-UHFFFAOYSA-N 0 0 189.218 1.620 10 0 ADAERN C[C@@H](C1CC1)n1nc2c(c1N)CCC2 83740190 573612469 /nfs/dbraw/zinc/61/24/69/573612469.db2.gz XYPXWJHCNDGAPF-ZETCQYMHSA-N 0 0 191.278 1.925 10 0 ADAERN C[C@H](F)C[C@H]1CSC[C@@H]1O 259527956 573612481 /nfs/dbraw/zinc/61/24/81/573612481.db2.gz AXAWZIGHRJSJCQ-ACZMJKKPSA-N 0 0 164.245 1.458 10 0 ADAERN CC(C)(C)NC(=O)C1(CO)CCC1 258822701 573612486 /nfs/dbraw/zinc/61/24/86/573612486.db2.gz VEEROGTUBGAVKT-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN 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ADAERN C[C@H](C1CC1)n1nc2c(c1N)CCC2 83740191 573612554 /nfs/dbraw/zinc/61/25/54/573612554.db2.gz XYPXWJHCNDGAPF-SSDOTTSWSA-N 0 0 191.278 1.925 10 0 ADAERN C[C@@H]1CCCCC[C@H](O)C(=O)C1 238449514 573612559 /nfs/dbraw/zinc/61/25/59/573612559.db2.gz KOOIFEKCWNPOKC-BDAKNGLRSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H](O)c1cccc(-n2ccnn2)c1 258067557 573612571 /nfs/dbraw/zinc/61/25/71/573612571.db2.gz MBIJIIGSVVXJIW-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN C=Cc1ccc2c(c1)C(=O)N(C)CC2 142703236 573612572 /nfs/dbraw/zinc/61/25/72/573612572.db2.gz POSKTNWOSQTHBN-UHFFFAOYSA-N 0 0 187.242 1.958 10 0 ADAERN C[C@@H]1C=C(CC(N)=O)C[C@H](C)C1 238449363 573612592 /nfs/dbraw/zinc/61/25/92/573612592.db2.gz QZMFAQSRYPKABI-JGVFFNPUSA-N 0 0 167.252 1.854 10 0 ADAERN Cn1cc(NCC2CCC2)cn1 86779326 573612602 /nfs/dbraw/zinc/61/26/02/573612602.db2.gz TXQLCEBLMJSPLT-UHFFFAOYSA-N 0 0 165.240 1.632 10 0 ADAERN Cn1cc(NC[C@@H]2CCCCO2)cn1 86778741 573612891 /nfs/dbraw/zinc/61/28/91/573612891.db2.gz 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C[C@@H]1[C@H]2C=CC=C[C@@H]1C(=O)O2 238450777 573616496 /nfs/dbraw/zinc/61/64/96/573616496.db2.gz MCRYWJIBZVZFMB-BIIVOSGPSA-N 0 0 150.177 1.290 10 0 ADAERN O=C1CCOC[C@@H]1CC1CCOCC1 236412561 573613792 /nfs/dbraw/zinc/61/37/92/573613792.db2.gz JOOXBENHPLMBGM-JTQLQIEISA-N 0 0 198.262 1.409 10 0 ADAERN C[C@@H]1CC[C@H](c2csc(N)n2)O1 96378793 573613738 /nfs/dbraw/zinc/61/37/38/573613738.db2.gz OXUFWMUCRAZCDV-IYSWYEEDSA-N 0 0 184.264 1.965 10 0 ADAERN C[C@H]1CC(=O)C(=O)OC(C)(C)C1 238449105 573613749 /nfs/dbraw/zinc/61/37/49/573613749.db2.gz WKNSSIMGJSOUOI-LURJTMIESA-N 0 0 170.208 1.307 10 0 ADAERN CCOC(=O)C[C@H](C)NCC(F)F 147565657 573613752 /nfs/dbraw/zinc/61/37/52/573613752.db2.gz IYGJVHAYPOQOBY-LURJTMIESA-N 0 0 195.209 1.183 10 0 ADAERN Cn1ccc(NC2=NCCCC2)n1 86780395 573613753 /nfs/dbraw/zinc/61/37/53/573613753.db2.gz LLEIKCAPQKKODA-UHFFFAOYSA-N 0 0 178.239 1.414 10 0 ADAERN C[C@H]1CC(=O)C(C)(C)[C@@H]1CO 238449331 573613777 /nfs/dbraw/zinc/61/37/77/573613777.db2.gz XPCNQNZSHHELST-NKWVEPMBSA-N 0 0 156.225 1.230 10 0 ADAERN Cc1cc(C=O)c2oncc2c1 259530046 573613906 /nfs/dbraw/zinc/61/39/06/573613906.db2.gz RLQBXVFMSADFHD-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN Cn1ccc(NC[C@H]2CCCO2)n1 86780163 573613800 /nfs/dbraw/zinc/61/38/00/573613800.db2.gz BFKKGALMZZHARM-MRVPVSSYSA-N 0 0 181.239 1.011 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1NC1=NCCO1 238449303 573613801 /nfs/dbraw/zinc/61/38/01/573613801.db2.gz WEDXEZNCSIIUSB-ZJUUUORDSA-N 0 0 196.294 1.931 10 0 ADAERN COc1ccc(SC)c(N)c1 96373369 573613813 /nfs/dbraw/zinc/61/38/13/573613813.db2.gz JOCOJFJMXKVBJH-UHFFFAOYSA-N 0 0 169.249 1.999 10 0 ADAERN Nc1nc([C@@H]2CCSC2)cs1 96378684 573613819 /nfs/dbraw/zinc/61/38/19/573613819.db2.gz KRRBVOIIPYIEOW-RXMQYKEDSA-N 0 0 186.305 1.946 10 0 ADAERN Cc1cccc2c1N[C@@H](CO)C2 107456622 573613831 /nfs/dbraw/zinc/61/38/31/573613831.db2.gz NKXKUVUDIWJRDL-SECBINFHSA-N 0 0 163.220 1.324 10 0 ADAERN CC(C)NCc1nnc(CC2CC2)o1 50616061 573613834 /nfs/dbraw/zinc/61/38/34/573613834.db2.gz OKHKBABXFAAWII-UHFFFAOYSA-N 0 0 195.266 1.520 10 0 ADAERN Cc1cc(=O)cc(C)c2c1CC[C@H]2O 238449570 573613849 /nfs/dbraw/zinc/61/38/49/573613849.db2.gz GQGWXOFXXKOAAO-LLVKDONJSA-N 0 0 190.242 1.643 10 0 ADAERN CC(=O)c1coc(C[C@@H]2CCCO2)n1 258070369 573613870 /nfs/dbraw/zinc/61/38/70/573613870.db2.gz LWWMZLIMOXEGBG-QMMMGPOBSA-N 0 0 195.218 1.599 10 0 ADAERN O=Cc1cccn1Cc1ccncn1 236407172 573615316 /nfs/dbraw/zinc/61/53/16/573615316.db2.gz AEFLLXMZNSCJKJ-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN CC[C@@H](CO)n1cccc1 96373305 573615007 /nfs/dbraw/zinc/61/50/07/573615007.db2.gz MCSTYOSIHLMRSS-QMMMGPOBSA-N 0 0 139.198 1.432 10 0 ADAERN Nc1n[nH]cc1[C@H](O)C1CCCCC1 83747331 573615013 /nfs/dbraw/zinc/61/50/13/573615013.db2.gz SBLFPJSEJYYYBX-SECBINFHSA-N 0 0 195.266 1.606 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](CO)C2 107456617 573615018 /nfs/dbraw/zinc/61/50/18/573615018.db2.gz RCDVKJGAZHDXPL-SECBINFHSA-N 0 0 163.220 1.324 10 0 ADAERN OCCCc1cc2c(cc1F)OCO2 258070206 573615020 /nfs/dbraw/zinc/61/50/20/573615020.db2.gz MEHFCYRUYQYPLI-UHFFFAOYSA-N 0 0 198.193 1.479 10 0 ADAERN C[C@H](O)C[C@H](C)P 238449265 573615021 /nfs/dbraw/zinc/61/50/21/573615021.db2.gz YXKKGJCOBQPIBG-WHFBIAKZSA-N 0 0 120.132 1.021 10 0 ADAERN C[C@H]1OCC[C@H]1c1csc(N)n1 96378717 573615032 /nfs/dbraw/zinc/61/50/32/573615032.db2.gz JWYLOTORVYSMRF-PHDIDXHHSA-N 0 0 184.264 1.618 10 0 ADAERN CCSCc1cnc(N)s1 86767038 573615388 /nfs/dbraw/zinc/61/53/88/573615388.db2.gz MAPLEAPGOVIRCQ-UHFFFAOYSA-N 0 0 174.294 1.978 10 0 ADAERN O=c1ccc(C[C@H]2CCCS2)n[nH]1 259530023 573618753 /nfs/dbraw/zinc/61/87/53/573618753.db2.gz UDIVRWLTPWCPAH-MRVPVSSYSA-N 0 0 196.275 1.620 10 0 ADAERN CCOCn1ccc(C)n1 83756570 573615473 /nfs/dbraw/zinc/61/54/73/573615473.db2.gz ROFWJYAOXJPBCD-UHFFFAOYSA-N 0 0 140.186 1.186 10 0 ADAERN CC[C@H](CCCC(=O)[O-])[NH+](C)C 259528504 573614691 /nfs/dbraw/zinc/61/46/91/573614691.db2.gz NBPTZXGTANHTQQ-MRVPVSSYSA-N 0 0 173.256 1.582 10 0 ADAERN CC(=O)c1ccc(N(C)C)o1 75549069 573614696 /nfs/dbraw/zinc/61/46/96/573614696.db2.gz INWPAHNVBMZAHW-UHFFFAOYSA-N 0 0 153.181 1.548 10 0 ADAERN CN(C)c1c(F)cccc1C1(O)CC1 259530057 573615622 /nfs/dbraw/zinc/61/56/22/573615622.db2.gz UEGDCTMHIGQQMM-UHFFFAOYSA-N 0 0 195.237 1.873 10 0 ADAERN CNCc1ncc([C@@H]2CCO[C@H]2C)o1 86762323 573615623 /nfs/dbraw/zinc/61/56/23/573615623.db2.gz JVIIOZYKWIKXMT-JGVFFNPUSA-N 0 0 196.250 1.286 10 0 ADAERN COC[S@](=O)c1ccccc1F 83755805 573614729 /nfs/dbraw/zinc/61/47/29/573614729.db2.gz XSNFCFUNOXVVHA-GFCCVEGCSA-N 0 0 188.223 1.537 10 0 ADAERN CCCOCc1cnc(N)s1 86766867 573614733 /nfs/dbraw/zinc/61/47/33/573614733.db2.gz HAEKSBILPBMUNB-UHFFFAOYSA-N 0 0 172.253 1.652 10 0 ADAERN CCCCc1nnc(CNC(C)C)o1 50615992 573614769 /nfs/dbraw/zinc/61/47/69/573614769.db2.gz CLMXWGNWOBHODH-UHFFFAOYSA-N 0 0 197.282 1.910 10 0 ADAERN CC[C@@H](C)c1nnc(CNC)o1 50615391 573614791 /nfs/dbraw/zinc/61/47/91/573614791.db2.gz LEHIRYBJQYVUMY-ZCFIWIBFSA-N 0 0 169.228 1.303 10 0 ADAERN CC[C@@H]1C[C@]1(O)[C@@H]1CCO[C@@H]1C 86761446 573614797 /nfs/dbraw/zinc/61/47/97/573614797.db2.gz PVWGCHZTBSJPEQ-ZYUZMQFOSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@H](CO)c1ccc(CCO)cc1 259530040 573614813 /nfs/dbraw/zinc/61/48/13/573614813.db2.gz UDVGWZKICGLLCS-SECBINFHSA-N 0 0 180.247 1.317 10 0 ADAERN Cc1ccc2c(c1)N[C@H](CO)C2 107456615 573614814 /nfs/dbraw/zinc/61/48/14/573614814.db2.gz RCDVKJGAZHDXPL-VIFPVBQESA-N 0 0 163.220 1.324 10 0 ADAERN Nc1n[nH]cc1[C@H](O)C1CCCC1 83747387 573614838 /nfs/dbraw/zinc/61/48/38/573614838.db2.gz LXCXXJVRYKMKAO-MRVPVSSYSA-N 0 0 181.239 1.216 10 0 ADAERN C[Si](C)(C)[C@H]1CC(CO)=NO1 238449191 573614839 /nfs/dbraw/zinc/61/48/39/573614839.db2.gz XEOACFNRIVUQIQ-ZETCQYMHSA-N 0 0 173.288 1.001 10 0 ADAERN COCC[N@H+](CC[C@@H](C)F)C1CC1 308406207 573614844 /nfs/dbraw/zinc/61/48/44/573614844.db2.gz JUYPOYVJZPQYHX-SECBINFHSA-N 0 0 189.274 1.845 10 0 ADAERN C[Si](C)(C)[C@H]1CC(CCO)=NO1 238449177 573614847 /nfs/dbraw/zinc/61/48/47/573614847.db2.gz NXNOGZYGQKTJFL-QMMMGPOBSA-N 0 0 187.315 1.391 10 0 ADAERN CN[C@@H](c1nc[nH]n1)c1cccs1 83746593 573614855 /nfs/dbraw/zinc/61/48/55/573614855.db2.gz CBYHTJNXCHTDRT-SSDOTTSWSA-N 0 0 194.263 1.175 10 0 ADAERN CC[C@@H](C)c1nnc(CNC2CC2)o1 50616195 573614867 /nfs/dbraw/zinc/61/48/67/573614867.db2.gz RFODEVMYFGSBSK-SSDOTTSWSA-N 0 0 195.266 1.835 10 0 ADAERN CC(=O)[C@H]1OCC[C@@H]1C 96373409 573614880 /nfs/dbraw/zinc/61/48/80/573614880.db2.gz YGPRYHJOLYUWDQ-FSPLSTOPSA-N 0 0 128.171 1.000 10 0 ADAERN CC(=O)c1ccc(N2CCCC2)n1C 75556953 573614908 /nfs/dbraw/zinc/61/49/08/573614908.db2.gz PDLSKCZRWAQDPK-UHFFFAOYSA-N 0 0 192.262 1.828 10 0 ADAERN OC[C@@H]1Cc2c(F)cccc2N1 107457049 573614914 /nfs/dbraw/zinc/61/49/14/573614914.db2.gz IDBWZBUCFFJKLW-LURJTMIESA-N 0 0 167.183 1.155 10 0 ADAERN C[C@H]1CCO[C@H]1c1csc(N)n1 96378800 573614920 /nfs/dbraw/zinc/61/49/20/573614920.db2.gz YJUVFYJBQLYPPB-CAHLUQPWSA-N 0 0 184.264 1.823 10 0 ADAERN C[C@H]1OCC[C@H]1c1nc(N)ns1 86762241 573614922 /nfs/dbraw/zinc/61/49/22/573614922.db2.gz QQUGJAOWCLCEHV-RFZPGFLSSA-N 0 0 185.252 1.013 10 0 ADAERN C[C@@H]1OCC[C@H]1c1nc(N)ns1 86762243 573614936 /nfs/dbraw/zinc/61/49/36/573614936.db2.gz QQUGJAOWCLCEHV-CRCLSJGQSA-N 0 0 185.252 1.013 10 0 ADAERN Cc1cc(-c2csc(N)n2)no1 96373370 573614952 /nfs/dbraw/zinc/61/49/52/573614952.db2.gz LHLAKHIYQIYMHB-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCC[N@H+](/C=C/C(=O)[O-])[C@H]1CCOC1 308643524 573614955 /nfs/dbraw/zinc/61/49/55/573614955.db2.gz FOECLIRIYBIKJE-SWTNXBIASA-N 0 0 199.250 1.086 10 0 ADAERN C[C@](O)(CO)[C@@H]1C=CCCC1 238448876 573614957 /nfs/dbraw/zinc/61/49/57/573614957.db2.gz KIJINTFWQAVFKG-BDAKNGLRSA-N 0 0 156.225 1.086 10 0 ADAERN Cc1ccc(C(N)=O)nc1C(F)F 238449244 573614968 /nfs/dbraw/zinc/61/49/68/573614968.db2.gz UGNYAKMVJWXXHM-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN C[C@]1(C2CCCC2)CNC(=O)N1 238449100 573614971 /nfs/dbraw/zinc/61/49/71/573614971.db2.gz JMIRZDOMDOGJNP-SECBINFHSA-N 0 0 168.240 1.248 10 0 ADAERN COCOc1c(C)cc(C)cc1N 83748401 573614973 /nfs/dbraw/zinc/61/49/73/573614973.db2.gz YHHVEJSRBXZBPR-UHFFFAOYSA-N 0 0 181.235 1.868 10 0 ADAERN Nc1cncc2c1CCCCC2 107456455 573614982 /nfs/dbraw/zinc/61/49/82/573614982.db2.gz DMWVXYDYNARMGT-UHFFFAOYSA-N 0 0 162.236 1.933 10 0 ADAERN CCCOC(=O)C1(NC)CCCCC1 308643126 573614995 /nfs/dbraw/zinc/61/49/95/573614995.db2.gz FEDNCHXJWQSJSC-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN Cc1cccc2c1C[C@H](CO)N2 107456604 573615633 /nfs/dbraw/zinc/61/56/33/573615633.db2.gz WOAZHYONDDBGPC-MRVPVSSYSA-N 0 0 163.220 1.324 10 0 ADAERN CC(=O)[C@H](C)[C@@H]1C[C@@H]1C 238450915 573615638 /nfs/dbraw/zinc/61/56/38/573615638.db2.gz HXYREKKICIATIX-VMHSAVOQSA-N 0 0 126.199 1.868 10 0 ADAERN CC(C)CN1CCCNC1=O 96373549 573615075 /nfs/dbraw/zinc/61/50/75/573615075.db2.gz JNVUDATVGQZFOI-UHFFFAOYSA-N 0 0 156.229 1.058 10 0 ADAERN CC(C)[C@@H](C)N1CCNC1=O 96373533 573615082 /nfs/dbraw/zinc/61/50/82/573615082.db2.gz STNODIJQSVMWAM-SSDOTTSWSA-N 0 0 156.229 1.056 10 0 ADAERN CNCc1ncc([C@H]2CCO[C@@H]2C)o1 86762325 573615099 /nfs/dbraw/zinc/61/50/99/573615099.db2.gz JVIIOZYKWIKXMT-SFYZADRCSA-N 0 0 196.250 1.286 10 0 ADAERN OC[C@]1(O)CCc2cc(F)ccc2C1 257838009 573615124 /nfs/dbraw/zinc/61/51/24/573615124.db2.gz LGYKLPHVGUBYRU-NSHDSACASA-N 0 0 196.221 1.038 10 0 ADAERN CC[C@H](NCc1ccoc1)C(=O)OC 130616343 573615145 /nfs/dbraw/zinc/61/51/45/573615145.db2.gz VQCYHIFYCFWXHM-VIFPVBQESA-N 0 0 197.234 1.321 10 0 ADAERN Cn1ncc(C(=O)C(C)(C)C)c1N 83746944 573615149 /nfs/dbraw/zinc/61/51/49/573615149.db2.gz YENHLKUCNBDRSJ-UHFFFAOYSA-N 0 0 181.239 1.231 10 0 ADAERN C[C@@H](Nc1cncc(N)n1)C1CC1 86778204 573615165 /nfs/dbraw/zinc/61/51/65/573615165.db2.gz BIWCKBKTXGMODE-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@@H]2[C@@H](C(N)=O)[C@H]12 238450130 573618964 /nfs/dbraw/zinc/61/89/64/573618964.db2.gz RKOFCGTUAIRUJE-QMGXLNLGSA-N 0 0 167.252 1.400 10 0 ADAERN Cc1cccc2c1[C@@H](CO)CN2 107456597 573615172 /nfs/dbraw/zinc/61/51/72/573615172.db2.gz RBOBRMSVAXGHEX-MRVPVSSYSA-N 0 0 163.220 1.496 10 0 ADAERN COc1c(Cl)ncnc1SC 96373513 573615173 /nfs/dbraw/zinc/61/51/73/573615173.db2.gz AYJACRAIKZMDOO-UHFFFAOYSA-N 0 0 190.655 1.861 10 0 ADAERN Cn1cc(Nc2ccc(N)nc2)cn1 86778574 573615194 /nfs/dbraw/zinc/61/51/94/573615194.db2.gz JYEIKJXHXGZNMX-UHFFFAOYSA-N 0 0 189.222 1.141 10 0 ADAERN CC(C)NCc1nnc([C@@H]2C[C@H]2C)o1 50615976 573615202 /nfs/dbraw/zinc/61/52/02/573615202.db2.gz KTXOLAUSNSPMMS-HTQZYQBOSA-N 0 0 195.266 1.691 10 0 ADAERN OCC[C@H]1OCc2cc(F)ccc2O1 258411880 573615217 /nfs/dbraw/zinc/61/52/17/573615217.db2.gz ZQRUPHQTSJOUDE-JTQLQIEISA-N 0 0 198.193 1.443 10 0 ADAERN COC(=O)/C=C(/C)C(C)C 96373425 573615229 /nfs/dbraw/zinc/61/52/29/573615229.db2.gz YDASEMNTSWHURH-ALCCZGGFSA-N 0 0 142.198 1.762 10 0 ADAERN C[C@@H]1OCC[C@H]1c1ocnc1CO 86762822 573615239 /nfs/dbraw/zinc/61/52/39/573615239.db2.gz JIWSLHAJQGIQGM-NKWVEPMBSA-N 0 0 183.207 1.059 10 0 ADAERN C[C@H]1NCc2ccccc2N(C)C1=O 83748275 573615241 /nfs/dbraw/zinc/61/52/41/573615241.db2.gz IFUDBYHTZQLQGN-MRVPVSSYSA-N 0 0 190.246 1.141 10 0 ADAERN Cn1ccc(N[C@H]2CCCC[C@@H]2O)n1 86780365 573615265 /nfs/dbraw/zinc/61/52/65/573615265.db2.gz BYRMKJNYKHZFQR-IUCAKERBSA-N 0 0 195.266 1.136 10 0 ADAERN C[C@@H]1C[C@@H]1c1csc(N)n1 96378693 573615282 /nfs/dbraw/zinc/61/52/82/573615282.db2.gz MACLCZRAQYAMBB-UHNVWZDZSA-N 0 0 154.238 1.849 10 0 ADAERN CC(C)NCc1nnc(C2CCC2)o1 50616014 573615308 /nfs/dbraw/zinc/61/53/08/573615308.db2.gz OITXFEPVZKKGCT-UHFFFAOYSA-N 0 0 195.266 1.835 10 0 ADAERN COCn1nc(N)c2ccccc21 83749439 573615350 /nfs/dbraw/zinc/61/53/50/573615350.db2.gz CNXQTMLDOIRWFY-UHFFFAOYSA-N 0 0 177.207 1.222 10 0 ADAERN CC(=O)[C@H]1OCC[C@H]1C 96373408 573615361 /nfs/dbraw/zinc/61/53/61/573615361.db2.gz YGPRYHJOLYUWDQ-VDTYLAMSSA-N 0 0 128.171 1.000 10 0 ADAERN CC[C@@H](CCCC(=O)[O-])[NH+](C)C 259528506 573615363 /nfs/dbraw/zinc/61/53/63/573615363.db2.gz NBPTZXGTANHTQQ-QMMMGPOBSA-N 0 0 173.256 1.582 10 0 ADAERN CC[C@@H](C)N1CCCNC1=O 96373546 573615379 /nfs/dbraw/zinc/61/53/79/573615379.db2.gz NFYJSXXNBPBMBF-SSDOTTSWSA-N 0 0 156.229 1.200 10 0 ADAERN CC(C)OCc1c[nH]c(=NN)s1 86776049 573615422 /nfs/dbraw/zinc/61/54/22/573615422.db2.gz QCXYBMUFQIMDTN-UHFFFAOYSA-N 0 0 187.268 1.354 10 0 ADAERN Nc1nc([C@@H]2CCCCO2)cs1 96378745 573615430 /nfs/dbraw/zinc/61/54/30/573615430.db2.gz ZUNJLLYOCURGGL-ZETCQYMHSA-N 0 0 184.264 1.967 10 0 ADAERN Cn1ccc(Nc2ncccc2N)n1 86778920 573615431 /nfs/dbraw/zinc/61/54/31/573615431.db2.gz CIPBEHOHTUYRSG-UHFFFAOYSA-N 0 0 189.222 1.141 10 0 ADAERN C[C@@H](O)c1cnc([C@H]2CCCN2C)o1 258070379 573615433 /nfs/dbraw/zinc/61/54/33/573615433.db2.gz LWXKOGVTUKAMCV-HTQZYQBOSA-N 0 0 196.250 1.495 10 0 ADAERN CC(C)N(CCCO)c1nccn1C 50607121 573615446 /nfs/dbraw/zinc/61/54/46/573615446.db2.gz ZJLMCEIXQBZEOM-UHFFFAOYSA-N 0 0 197.282 1.017 10 0 ADAERN Cn1cc(NC[C@H]2CCCCO2)cn1 86778745 573615461 /nfs/dbraw/zinc/61/54/61/573615461.db2.gz IRUKPPDMVLIZJC-SNVBAGLBSA-N 0 0 195.266 1.401 10 0 ADAERN CC(=O)[C@@H]1OCC[C@H]1C 96373410 573615463 /nfs/dbraw/zinc/61/54/63/573615463.db2.gz YGPRYHJOLYUWDQ-IYSWYEEDSA-N 0 0 128.171 1.000 10 0 ADAERN Cc1cnn(Cc2cnc(N)s2)c1 86766482 573615663 /nfs/dbraw/zinc/61/56/63/573615663.db2.gz WZZHSGNOOCVGQD-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CCC(C)(C)N1CCNC1=O 96373531 573615476 /nfs/dbraw/zinc/61/54/76/573615476.db2.gz WZLRNKZPQBPKMO-UHFFFAOYSA-N 0 0 156.229 1.200 10 0 ADAERN CC(=O)[C@]1(O)C[C@H](C)C[C@@H]1C 238450402 573615522 /nfs/dbraw/zinc/61/55/22/573615522.db2.gz KZIJPDMABURTDC-FJXKBIBVSA-N 0 0 156.225 1.373 10 0 ADAERN CCc1cc(SC)nc(N)n1 107457368 573615536 /nfs/dbraw/zinc/61/55/36/573615536.db2.gz VBDOXWZZUSLOOO-UHFFFAOYSA-N 0 0 169.253 1.343 10 0 ADAERN CCc1c(C)cncc1C=O 107455166 573615542 /nfs/dbraw/zinc/61/55/42/573615542.db2.gz BBSREFTVDDTBQP-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN C[C@@H]1CCc2c(N)cncc2C1 107456457 573615553 /nfs/dbraw/zinc/61/55/53/573615553.db2.gz XYEBAYZNQUCTCJ-SSDOTTSWSA-N 0 0 162.236 1.789 10 0 ADAERN Cn1cc(NCC(F)F)cn1 86779324 573615556 /nfs/dbraw/zinc/61/55/56/573615556.db2.gz YJCQLUJHSQFHFV-UHFFFAOYSA-N 0 0 161.155 1.097 10 0 ADAERN CN(C)Cc1cnc(Cl)s1 86776409 573615560 /nfs/dbraw/zinc/61/55/60/573615560.db2.gz RTDNKYZKIJOQCX-UHFFFAOYSA-N 0 0 176.672 1.858 10 0 ADAERN C[C@@H](CCO)[C@H]1C[C@@H]1C 211951217 573615568 /nfs/dbraw/zinc/61/55/68/573615568.db2.gz LMVALELGRYQJGB-BIIVOSGPSA-N 0 0 128.215 1.661 10 0 ADAERN Cn1ncc([C@H](O)C2CCCC2)c1N 83747193 573615572 /nfs/dbraw/zinc/61/55/72/573615572.db2.gz YLACUJWLFMHANI-SECBINFHSA-N 0 0 195.266 1.226 10 0 ADAERN Cn1cc(NC[C@@H]2CCCO2)cn1 86778831 573615573 /nfs/dbraw/zinc/61/55/73/573615573.db2.gz YWRBSVCLXVLLSR-VIFPVBQESA-N 0 0 181.239 1.011 10 0 ADAERN C[C@@H]1OCC[C@H]1c1csc(N)n1 96378718 573615578 /nfs/dbraw/zinc/61/55/78/573615578.db2.gz JWYLOTORVYSMRF-NTSWFWBYSA-N 0 0 184.264 1.618 10 0 ADAERN Cc1ccc(C(=O)[O-])c2c1[C@H]([NH3+])CC2 238450676 573615579 /nfs/dbraw/zinc/61/55/79/573615579.db2.gz AJDKMAKBQSNMPB-SECBINFHSA-N 0 0 191.230 1.639 10 0 ADAERN CC[C@@H](NCc1ccoc1)C(=O)OC 130616526 573615591 /nfs/dbraw/zinc/61/55/91/573615591.db2.gz VQCYHIFYCFWXHM-SECBINFHSA-N 0 0 197.234 1.321 10 0 ADAERN CC(C)C[C@@H](O)c1cnn(C)c1N 83747172 573615598 /nfs/dbraw/zinc/61/55/98/573615598.db2.gz VMPLKHFBLMSBSD-MRVPVSSYSA-N 0 0 183.255 1.082 10 0 ADAERN CC(C)CCN1CCNC1=O 96373535 573615603 /nfs/dbraw/zinc/61/56/03/573615603.db2.gz PMWDTAOVZVAFIS-UHFFFAOYSA-N 0 0 156.229 1.058 10 0 ADAERN Cn1ccc(Nc2cccc(N)c2)n1 86779006 573615604 /nfs/dbraw/zinc/61/56/04/573615604.db2.gz XLEOWOMFADWQBA-UHFFFAOYSA-N 0 0 188.234 1.746 10 0 ADAERN O=Cc1cccnc1SC1COC1 236409348 573615606 /nfs/dbraw/zinc/61/56/06/573615606.db2.gz IKLBIAHNLWPBJN-UHFFFAOYSA-N 0 0 195.243 1.385 10 0 ADAERN CC(C)[C@H](C)N1CCNC1=O 96373534 573615674 /nfs/dbraw/zinc/61/56/74/573615674.db2.gz STNODIJQSVMWAM-ZETCQYMHSA-N 0 0 156.229 1.056 10 0 ADAERN C[C@H](O)c1cnc([C@H]2CCCN2C)o1 258070380 573615615 /nfs/dbraw/zinc/61/56/15/573615615.db2.gz LWXKOGVTUKAMCV-JGVFFNPUSA-N 0 0 196.250 1.495 10 0 ADAERN C[C@@H]1CCC[C@H]1N1CCC(=O)NC1=O 86786295 573616499 /nfs/dbraw/zinc/61/64/99/573616499.db2.gz SGWVUTDJEVPHGE-HTQZYQBOSA-N 0 0 196.250 1.117 10 0 ADAERN CC(C)[C@H](C)N1CCCNC1=O 96373555 573616504 /nfs/dbraw/zinc/61/65/04/573616504.db2.gz OXRXVSWKEOQUGJ-QMMMGPOBSA-N 0 0 170.256 1.446 10 0 ADAERN C[C@H]1CC[C@@]2(NCCS2)C(=O)C1 238450403 573616481 /nfs/dbraw/zinc/61/64/81/573616481.db2.gz FFODJYKJDWOULO-CBAPKCEASA-N 0 0 185.292 1.408 10 0 ADAERN C[C@H]1CCC[C@H]1N1CCC(=O)NC1=O 86786298 573616487 /nfs/dbraw/zinc/61/64/87/573616487.db2.gz SGWVUTDJEVPHGE-JGVFFNPUSA-N 0 0 196.250 1.117 10 0 ADAERN CC(C)NCc1nnc([C@@H]2C[C@@H]2C)o1 50615977 573617891 /nfs/dbraw/zinc/61/78/91/573617891.db2.gz KTXOLAUSNSPMMS-JGVFFNPUSA-N 0 0 195.266 1.691 10 0 ADAERN O=Cc1cccn1Cc1cccnn1 236407153 573617960 /nfs/dbraw/zinc/61/79/60/573617960.db2.gz ATDCYMFXYDUNJK-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+][C@@H](C2CCC2)C1 107460493 573621115 /nfs/dbraw/zinc/62/11/15/573621115.db2.gz FUSVJJVCOARQHJ-RKDXNWHRSA-N 0 0 183.251 1.239 10 0 ADAERN CC(O)=C1C(=O)O[C@H](C)C[C@@H]1C 238450275 573617972 /nfs/dbraw/zinc/61/79/72/573617972.db2.gz XHZFFBGRAPRRLS-SHYZEUOFSA-N 0 0 170.208 1.163 10 0 ADAERN CC(=O)c1ncc(C(C)C)cn1 107456691 573619400 /nfs/dbraw/zinc/61/94/00/573619400.db2.gz NNRVSQKGSIWPSR-UHFFFAOYSA-N 0 0 164.208 1.803 10 0 ADAERN O=C1NCCC[C@@H]1Cc1cccnc1 142867718 573619516 /nfs/dbraw/zinc/61/95/16/573619516.db2.gz GPNYULUOEHFUEV-SNVBAGLBSA-N 0 0 190.246 1.150 10 0 ADAERN Oc1cccc(-c2ncccn2)c1 75562212 573619725 /nfs/dbraw/zinc/61/97/25/573619725.db2.gz QVVASRZJSOOXBO-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN O=C1NCCCN1CC1(C2CC2)CC1 236406975 573617403 /nfs/dbraw/zinc/61/74/03/573617403.db2.gz POZAQFUNJKIDSC-UHFFFAOYSA-N 0 0 194.278 1.592 10 0 ADAERN Cn1ncc2ccc(C=O)c(F)c21 259530015 573617420 /nfs/dbraw/zinc/61/74/20/573617420.db2.gz RKWSWOSWYJTBGF-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN COCOc1ccc(N)cc1Cl 83748369 573617422 /nfs/dbraw/zinc/61/74/22/573617422.db2.gz KZHPFQLNHRFHPF-UHFFFAOYSA-N 0 0 187.626 1.905 10 0 ADAERN C/C(=C/c1cccc(O)c1)CO 211953159 573617433 /nfs/dbraw/zinc/61/74/33/573617433.db2.gz IEWGXMUOZXDXNF-YVMONPNESA-N 0 0 164.204 1.788 10 0 ADAERN C[C@@H]1CN=C(NCc2ccccc2)O1 238450473 573617450 /nfs/dbraw/zinc/61/74/50/573617450.db2.gz MUVGVJQMHAGZGN-SECBINFHSA-N 0 0 190.246 1.551 10 0 ADAERN CCOC(=O)C=C1CC(C)(C)CN1 214715732 573617468 /nfs/dbraw/zinc/61/74/68/573617468.db2.gz DNHZDCSQKODSHG-VMPITWQZSA-N 0 0 183.251 1.453 10 0 ADAERN Cc1ccccc1[C@H](N)c1nc[nH]n1 83746198 573617471 /nfs/dbraw/zinc/61/74/71/573617471.db2.gz UFCRXRMKYKDQHV-VIFPVBQESA-N 0 0 188.234 1.161 10 0 ADAERN CC[C@H](C)CN1C[C@@H](C)C(=O)NC1=O 86785948 573617473 /nfs/dbraw/zinc/61/74/73/573617473.db2.gz XWRJIOCGHADBMQ-JGVFFNPUSA-N 0 0 198.266 1.220 10 0 ADAERN C[C@@H](F)Cn1ccc(C=O)c1 211957311 573617479 /nfs/dbraw/zinc/61/74/79/573617479.db2.gz VAIOYUHWDRBFPB-SSDOTTSWSA-N 0 0 155.172 1.659 10 0 ADAERN Cc1ccc2c(c1)C[C@H](CO)N2 107456610 573617507 /nfs/dbraw/zinc/61/75/07/573617507.db2.gz DZUGCHNYHIEMLB-SECBINFHSA-N 0 0 163.220 1.324 10 0 ADAERN Nc1n[nH]cc1C(=O)CC1CCCC1 83747032 573617536 /nfs/dbraw/zinc/61/75/36/573617536.db2.gz GWOMWNQBPPSRSC-UHFFFAOYSA-N 0 0 193.250 1.755 10 0 ADAERN C[C@H]1CC[C@](C)(NC(N)=O)C1(C)C 238451284 573617539 /nfs/dbraw/zinc/61/75/39/573617539.db2.gz WPOFERNPQCNBBP-XVKPBYJWSA-N 0 0 184.283 1.870 10 0 ADAERN Nc1n[nH]cc1C(=O)C1CCCC1 83747023 573617548 /nfs/dbraw/zinc/61/75/48/573617548.db2.gz DDAFWNBPZBETGP-UHFFFAOYSA-N 0 0 179.223 1.365 10 0 ADAERN COC(=O)[C@H]1C(C)(C)C12CCC2 259530703 573617554 /nfs/dbraw/zinc/61/75/54/573617554.db2.gz FFZNFWHINYBKSR-ZETCQYMHSA-N 0 0 168.236 1.986 10 0 ADAERN OCCCCCNCC(F)F 147566316 573617609 /nfs/dbraw/zinc/61/76/09/573617609.db2.gz KNCKWAGLIKDNEZ-UHFFFAOYSA-N 0 0 167.199 1.004 10 0 ADAERN CC(=O)[C@@]1(C)CC[C@H](C)C1=O 238450367 573617635 /nfs/dbraw/zinc/61/76/35/573617635.db2.gz KWNDITDTIKWLCT-IMTBSYHQSA-N 0 0 154.209 1.581 10 0 ADAERN Cc1c(Br)noc1N 257837655 573617649 /nfs/dbraw/zinc/61/76/49/573617649.db2.gz LKNVZVKKEHTKCB-UHFFFAOYSA-N 0 0 177.001 1.328 10 0 ADAERN CC(C)NCc1nnc(C2CC2)o1 50615913 573617653 /nfs/dbraw/zinc/61/76/53/573617653.db2.gz OPFDRZBPIMJEJO-UHFFFAOYSA-N 0 0 181.239 1.445 10 0 ADAERN c1cnnc(C[C@@H]2CCCCO2)c1 259530069 573617685 /nfs/dbraw/zinc/61/76/85/573617685.db2.gz UESRVCGMVWCJTA-JTQLQIEISA-N 0 0 178.235 1.588 10 0 ADAERN Oc1ccccc1-c1cccnn1 75562208 573617686 /nfs/dbraw/zinc/61/76/86/573617686.db2.gz OBYBJJBTILSZTE-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN C/C(=C/[C@H]1CCC(=O)[C@H]1C)CCO 238451394 573617693 /nfs/dbraw/zinc/61/76/93/573617693.db2.gz IPDGYGDOOTZUBD-ZTXJHGQBSA-N 0 0 182.263 1.930 10 0 ADAERN C[C@@H]1CN(C2CCCC2)C(=O)NC1=O 86785044 573617706 /nfs/dbraw/zinc/61/77/06/573617706.db2.gz CPSLFRRVQIAAOM-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN COCc1cccc(C(C)(C)O)c1O 258070204 573617707 /nfs/dbraw/zinc/61/77/07/573617707.db2.gz MEGJMGZKSYKZKE-UHFFFAOYSA-N 0 0 196.246 1.766 10 0 ADAERN C[C@@H]1CCC[C@@H](N2CC(=O)NC2=O)C1 86785461 573617715 /nfs/dbraw/zinc/61/77/15/573617715.db2.gz ZZJHEKQAMOLHBB-HTQZYQBOSA-N 0 0 196.250 1.117 10 0 ADAERN CC(C)C(O)(CO)C(C)C 78772352 573617721 /nfs/dbraw/zinc/61/77/21/573617721.db2.gz WPZKBFKHGKBLSW-UHFFFAOYSA-N 0 0 146.230 1.022 10 0 ADAERN c1cnnc(C[C@H]2CCCCO2)c1 259530071 573617752 /nfs/dbraw/zinc/61/77/52/573617752.db2.gz UESRVCGMVWCJTA-SNVBAGLBSA-N 0 0 178.235 1.588 10 0 ADAERN CC[C@H](C)N1CCCNC1=O 96373547 573617760 /nfs/dbraw/zinc/61/77/60/573617760.db2.gz NFYJSXXNBPBMBF-ZETCQYMHSA-N 0 0 156.229 1.200 10 0 ADAERN Cn1ccc(-n2cccc2C=O)n1 86781804 573617798 /nfs/dbraw/zinc/61/77/98/573617798.db2.gz KHCRWRXPTCFYQH-UHFFFAOYSA-N 0 0 175.191 1.023 10 0 ADAERN Cn1ccc(NC(=N)C2CC2)n1 86781436 573617813 /nfs/dbraw/zinc/61/78/13/573617813.db2.gz KMZUIHASZGHPHU-UHFFFAOYSA-N 0 0 164.212 1.219 10 0 ADAERN CCCCN(CCO)c1nccn1C 50607133 573617819 /nfs/dbraw/zinc/61/78/19/573617819.db2.gz ZBSHBSXKJWKGBY-UHFFFAOYSA-N 0 0 197.282 1.019 10 0 ADAERN O=Cc1ccnc2c1CCCC2 107456333 573617820 /nfs/dbraw/zinc/61/78/20/573617820.db2.gz PECPERALGWPAMV-UHFFFAOYSA-N 0 0 161.204 1.773 10 0 ADAERN COCOc1cc(C)c(N)cc1C 83748410 573617846 /nfs/dbraw/zinc/61/78/46/573617846.db2.gz JPKWTTXLPOSCQL-UHFFFAOYSA-N 0 0 181.235 1.868 10 0 ADAERN C[C@H]1CCC[C@@H](OC(N)=O)C1 238451234 573617854 /nfs/dbraw/zinc/61/78/54/573617854.db2.gz DOEIYNAFEDWMKO-NKWVEPMBSA-N 0 0 157.213 1.660 10 0 ADAERN Nc1nonc1C1CCCC1 107455373 573617869 /nfs/dbraw/zinc/61/78/69/573617869.db2.gz VQCPCOXKTNOJCI-UHFFFAOYSA-N 0 0 153.185 1.309 10 0 ADAERN CCN(CC)C(=O)[C@@H]1CCC1(F)F 308407383 573617874 /nfs/dbraw/zinc/61/78/74/573617874.db2.gz KGFMQHBXDMUKIC-ZETCQYMHSA-N 0 0 191.221 1.900 10 0 ADAERN CC[C@@H]1CNc2cc(C)nn2C1 107456887 573617877 /nfs/dbraw/zinc/61/78/77/573617877.db2.gz RIXOTPKIDXWGBF-MRVPVSSYSA-N 0 0 165.240 1.643 10 0 ADAERN CCC(C)(C)N1CCCNC1=O 96373552 573617880 /nfs/dbraw/zinc/61/78/80/573617880.db2.gz VLTIRMUXIWQFKN-UHFFFAOYSA-N 0 0 170.256 1.590 10 0 ADAERN CC(C)C[C@H](O)c1cnn(C)c1N 83747171 573617883 /nfs/dbraw/zinc/61/78/83/573617883.db2.gz VMPLKHFBLMSBSD-QMMMGPOBSA-N 0 0 183.255 1.082 10 0 ADAERN Cn1cc(-c2ccc(CO)o2)cn1 86781893 573620305 /nfs/dbraw/zinc/62/03/05/573620305.db2.gz GYGMABBUELLEGJ-UHFFFAOYSA-N 0 0 178.191 1.172 10 0 ADAERN CCC(CC)N1CCCNC1=O 96373551 573617910 /nfs/dbraw/zinc/61/79/10/573617910.db2.gz XUPREXCPZZYQKO-UHFFFAOYSA-N 0 0 170.256 1.590 10 0 ADAERN C[C@@H]1NC(=O)Cc2ccc(O)cc21 75567309 573617917 /nfs/dbraw/zinc/61/79/17/573617917.db2.gz JCGWEQRUYIUBAG-LURJTMIESA-N 0 0 177.203 1.126 10 0 ADAERN O=C1C[C@H]2CCC(=O)[C@H](CC2)C1 211957946 573617961 /nfs/dbraw/zinc/61/79/61/573617961.db2.gz JAUSJCNOUNSOSQ-HTQZYQBOSA-N 0 0 166.220 1.725 10 0 ADAERN CCCCCN1CCNC1=O 96373536 573617947 /nfs/dbraw/zinc/61/79/47/573617947.db2.gz LYFADTFKQMNOQN-UHFFFAOYSA-N 0 0 156.229 1.202 10 0 ADAERN O=c1cc(OCC2CCCC2)nc[nH]1 236411949 573617991 /nfs/dbraw/zinc/61/79/91/573617991.db2.gz JLCPOPHMEZWBNE-UHFFFAOYSA-N 0 0 194.234 1.339 10 0 ADAERN CC(C)[C@H](C)N1C[C@H](C)C(=O)NC1=O 86784676 573617994 /nfs/dbraw/zinc/61/79/94/573617994.db2.gz GSEUKGYWTOBCOG-YUMQZZPRSA-N 0 0 198.266 1.219 10 0 ADAERN C[C@H]1[C@@H](O)OC(=O)C12CCCCC2 238450315 573617998 /nfs/dbraw/zinc/61/79/98/573617998.db2.gz XATNWDICIDTTAX-YUMQZZPRSA-N 0 0 184.235 1.448 10 0 ADAERN CC(C)CCN1CCCNC1=O 96373558 573618031 /nfs/dbraw/zinc/61/80/31/573618031.db2.gz PWOZHJXVSNCHFD-UHFFFAOYSA-N 0 0 170.256 1.448 10 0 ADAERN O=Cc1ccc(OC(F)F)cn1 86792310 573618037 /nfs/dbraw/zinc/61/80/37/573618037.db2.gz UQJXXLAPNMGZDF-UHFFFAOYSA-N 0 0 173.118 1.496 10 0 ADAERN CCO[C@@H](C)C(=O)Cc1ccco1 130620570 573618060 /nfs/dbraw/zinc/61/80/60/573618060.db2.gz QHTAUSQXSXHCSM-QMMMGPOBSA-N 0 0 182.219 1.816 10 0 ADAERN C[C@H](O)c1ccsc1[C@@H](C)O 142795207 573620396 /nfs/dbraw/zinc/62/03/96/573620396.db2.gz NDNCIWILPFELQX-NTSWFWBYSA-N 0 0 172.249 1.855 10 0 ADAERN CC(C)C[C@H](O)c1c[nH]nc1N 83747347 573618124 /nfs/dbraw/zinc/61/81/24/573618124.db2.gz XAXAYEVQQSFNAB-ZETCQYMHSA-N 0 0 169.228 1.071 10 0 ADAERN Nc1c(C2CC2)nnn1C1CCC1 257837654 573618128 /nfs/dbraw/zinc/61/81/28/573618128.db2.gz LKJXENPQLLEKJX-UHFFFAOYSA-N 0 0 178.239 1.463 10 0 ADAERN Cc1ncoc1-c1csc(N)n1 96378835 573618139 /nfs/dbraw/zinc/61/81/39/573618139.db2.gz ZLZWCRYXRVPTEJ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN ONCc1cccc2c(Cl)n[nH]c12 258070233 573618147 /nfs/dbraw/zinc/61/81/47/573618147.db2.gz MEYLKESKNAKSQP-UHFFFAOYSA-N 0 0 197.625 1.695 10 0 ADAERN C[C@H]1C(=O)C[C@@H]2C[C@@H]21 238450332 573618148 /nfs/dbraw/zinc/61/81/48/573618148.db2.gz VTESXGFPVWOGRN-NGJCXOISSA-N 0 0 110.156 1.231 10 0 ADAERN OC[C@H]1Cc2ccc(F)cc2N1 107457057 573618201 /nfs/dbraw/zinc/61/82/01/573618201.db2.gz VJCIHKQPAMEIMV-MRVPVSSYSA-N 0 0 167.183 1.155 10 0 ADAERN CCNc1ncnc(Cl)c1OC 96373511 573618233 /nfs/dbraw/zinc/61/82/33/573618233.db2.gz PKLFUGASJARHJH-UHFFFAOYSA-N 0 0 187.630 1.570 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1C(C)(C)[NH3+] 238451213 573618262 /nfs/dbraw/zinc/61/82/62/573618262.db2.gz SFEXSDQFSKSOJR-UHFFFAOYSA-N 0 0 193.246 1.887 10 0 ADAERN Cc1c(N)c2ccccc2oc1=O 75565218 573618292 /nfs/dbraw/zinc/61/82/92/573618292.db2.gz IOIKVMQQNXHELZ-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN Nc1n[nH]cc1[C@@H](O)C1CCCCC1 83747332 573618308 /nfs/dbraw/zinc/61/83/08/573618308.db2.gz SBLFPJSEJYYYBX-VIFPVBQESA-N 0 0 195.266 1.606 10 0 ADAERN CCCCCc1nnc(CNCC)o1 50615574 573618312 /nfs/dbraw/zinc/61/83/12/573618312.db2.gz ZACBKWNYYDWRMP-UHFFFAOYSA-N 0 0 197.282 1.912 10 0 ADAERN CC[C@H](C)c1nnc(CNC2CC2)o1 50616197 573618335 /nfs/dbraw/zinc/61/83/35/573618335.db2.gz RFODEVMYFGSBSK-ZETCQYMHSA-N 0 0 195.266 1.835 10 0 ADAERN C[C@]12C=CCC(=O)[C@@H]1CC2 238450407 573618349 /nfs/dbraw/zinc/61/83/49/573618349.db2.gz KDEDTBZUCWIUOJ-IONNQARKSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@@H](C)ONC(=O)[C@@H](C)COC 308407621 573618354 /nfs/dbraw/zinc/61/83/54/573618354.db2.gz KHSRPWBQMPVJQE-JGVFFNPUSA-N 0 0 189.255 1.115 10 0 ADAERN Cc1ncc(C2CC2)cc1N 107455112 573618359 /nfs/dbraw/zinc/61/83/59/573618359.db2.gz KXQIBZPLEQUWGN-UHFFFAOYSA-N 0 0 148.209 1.850 10 0 ADAERN CCC(C)(C)OCCn1cc(N)cn1 50615156 573618373 /nfs/dbraw/zinc/61/83/73/573618373.db2.gz YUSLZVDXNPSBTP-UHFFFAOYSA-N 0 0 197.282 1.671 10 0 ADAERN CC(C)CCN1C[C@H](C)C(=O)NC1=O 86784809 573618380 /nfs/dbraw/zinc/61/83/80/573618380.db2.gz MWDSMCGNTVZDIN-QMMMGPOBSA-N 0 0 198.266 1.220 10 0 ADAERN C[C@@H]1c2ccccc2C[C@@](C)(O)[C@@H]1O 238451100 573618397 /nfs/dbraw/zinc/61/83/97/573618397.db2.gz NVLBOOHZVJYCSD-GGZOMVNGSA-N 0 0 192.258 1.458 10 0 ADAERN C[C@H](O)c1ccc2c(c1)[C@H](O)CC2 238450880 573618414 /nfs/dbraw/zinc/61/84/14/573618414.db2.gz IXZBUYUGALSOFL-WRWORJQWSA-N 0 0 178.231 1.720 10 0 ADAERN CCC[S@](N)(=O)=NCC1CC1 404864522 573618466 /nfs/dbraw/zinc/61/84/66/573618466.db2.gz YYGCKLRSAGIDKI-LLVKDONJSA-N 0 0 176.285 1.148 10 0 ADAERN c1ccc2c(c1)nc1nnccn12 224404547 573618481 /nfs/dbraw/zinc/61/84/81/573618481.db2.gz ITADGAUDYMCVLR-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN C[C@H](O)C[C@@]12C=C[C@@H](CC1=O)C2 238451380 573618536 /nfs/dbraw/zinc/61/85/36/573618536.db2.gz DRCJQSRRWNUJJN-OYNCUSHFSA-N 0 0 166.220 1.293 10 0 ADAERN CC(C)Cc1nnc(CNC(C)C)o1 50616015 573618537 /nfs/dbraw/zinc/61/85/37/573618537.db2.gz MWFNJGHSAWVLLI-UHFFFAOYSA-N 0 0 197.282 1.766 10 0 ADAERN C[C@H]1CC(=O)CC=C1CCC(N)=O 238451240 573618547 /nfs/dbraw/zinc/61/85/47/573618547.db2.gz FVLHQTJVGYTTLM-ZETCQYMHSA-N 0 0 181.235 1.177 10 0 ADAERN O=Cc1ncc(C2CC2)cn1 107455107 573618551 /nfs/dbraw/zinc/61/85/51/573618551.db2.gz HOXJBQCOPCSXEF-UHFFFAOYSA-N 0 0 148.165 1.167 10 0 ADAERN CCC(C)(C)N1C[C@@H](C)C(=O)NC1=O 86785073 573618552 /nfs/dbraw/zinc/61/85/52/573618552.db2.gz SKLWZIWHDFSCEB-SSDOTTSWSA-N 0 0 198.266 1.363 10 0 ADAERN COCOc1cc(Cl)ccc1N 83748406 573618555 /nfs/dbraw/zinc/61/85/55/573618555.db2.gz PKOCIHXPEITZFM-UHFFFAOYSA-N 0 0 187.626 1.905 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1C1([NH3+])CC1 238451294 573618579 /nfs/dbraw/zinc/61/85/79/573618579.db2.gz YMESJUABJRBRBR-UHFFFAOYSA-N 0 0 191.230 1.641 10 0 ADAERN Oc1ccc(CNn2cccc2)nc1 86792090 573618584 /nfs/dbraw/zinc/61/85/84/573618584.db2.gz MZTRVUMQZCISLA-UHFFFAOYSA-N 0 0 189.218 1.332 10 0 ADAERN C[C@H](CO)c1ccc(O)c(F)c1F 258070225 573618594 /nfs/dbraw/zinc/61/85/94/573618594.db2.gz METCHPNYBSHDAV-RXMQYKEDSA-N 0 0 188.173 1.766 10 0 ADAERN C[C@H](O)C[C@H]1CCCCN1Cl 238450620 573618598 /nfs/dbraw/zinc/61/85/98/573618598.db2.gz XJJPQWOJGMUBHA-JGVFFNPUSA-N 0 0 177.675 1.766 10 0 ADAERN CC[C@@H](C(C)C)N1CCC(=O)NC1=O 86786951 573618617 /nfs/dbraw/zinc/61/86/17/573618617.db2.gz HMVFXTWOJUGNDK-QMMMGPOBSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@@H](O)c1ccc(-c2cnn(C)c2)o1 86781885 573618632 /nfs/dbraw/zinc/61/86/32/573618632.db2.gz YXIMTEVXMYCMBZ-SSDOTTSWSA-N 0 0 192.218 1.733 10 0 ADAERN COC[S@](=O)c1ccc(F)cc1 83755808 573618642 /nfs/dbraw/zinc/61/86/42/573618642.db2.gz VMHGIMITQCZUAW-GFCCVEGCSA-N 0 0 188.223 1.537 10 0 ADAERN CCC(CC)c1nnc(CNC)o1 50615383 573618650 /nfs/dbraw/zinc/61/86/50/573618650.db2.gz OXCVAMSVIDCQGX-UHFFFAOYSA-N 0 0 183.255 1.693 10 0 ADAERN CC(C)C[C@@H](O)c1c[nH]nc1N 83747348 573618652 /nfs/dbraw/zinc/61/86/52/573618652.db2.gz XAXAYEVQQSFNAB-SSDOTTSWSA-N 0 0 169.228 1.071 10 0 ADAERN Nc1cnc2c(c1)CSCC2 107456985 573618655 /nfs/dbraw/zinc/61/86/55/573618655.db2.gz LFOFQVKHPLAJIN-UHFFFAOYSA-N 0 0 166.249 1.453 10 0 ADAERN Cc1ccc(C(=O)[O-])c2c1[C@@H]([NH3+])CC2 238450689 573618663 /nfs/dbraw/zinc/61/86/63/573618663.db2.gz AJDKMAKBQSNMPB-VIFPVBQESA-N 0 0 191.230 1.639 10 0 ADAERN Cc1cccc2c1cc1n2C[C@H](O)C1 259528346 573618664 /nfs/dbraw/zinc/61/86/64/573618664.db2.gz AYANEIVDTBMRHN-SNVBAGLBSA-N 0 0 187.242 1.867 10 0 ADAERN Cc1cc(Cl)c(O)c(CO)c1 75563123 573618671 /nfs/dbraw/zinc/61/86/71/573618671.db2.gz GGQYBSBRDGQHBS-UHFFFAOYSA-N 0 0 172.611 1.846 10 0 ADAERN Nc1n[nH]cc1[C@H](O)CC1CCCC1 83747317 573618691 /nfs/dbraw/zinc/61/86/91/573618691.db2.gz ZIJREOASFRGPHT-SECBINFHSA-N 0 0 195.266 1.606 10 0 ADAERN CC(C)C[C@H]([NH+](C)C)C1(C(=O)[O-])CC1 259528538 573618695 /nfs/dbraw/zinc/61/86/95/573618695.db2.gz NCEYDWLFFFZPPW-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H](O)C[C@]1(C)CCC[C@@H](C)[C@@H]1O 238451244 573618703 /nfs/dbraw/zinc/61/87/03/573618703.db2.gz RQBAQUDSZYNMLI-RCWTZXSCSA-N 0 0 186.295 1.945 10 0 ADAERN CC(C)C(=N)Nc1ccn(C)n1 86781431 573618708 /nfs/dbraw/zinc/61/87/08/573618708.db2.gz UDLZRVIBZNWTTR-UHFFFAOYSA-N 0 0 166.228 1.465 10 0 ADAERN Cc1c(CO)cc2c(c1C)OCCO2 258070188 573618718 /nfs/dbraw/zinc/61/87/18/573618718.db2.gz MDPGXILZAPOPFQ-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN Cc1cccc2[nH]c(=O)c(F)cc12 238450613 573618721 /nfs/dbraw/zinc/61/87/21/573618721.db2.gz UUERNBIDJJESIN-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN Oc1ccc(CNc2cn[nH]c2)nc1 86790833 573618737 /nfs/dbraw/zinc/61/87/37/573618737.db2.gz IEIMZJHXOBLWHS-UHFFFAOYSA-N 0 0 190.206 1.122 10 0 ADAERN C[C@H](O)C[C@H]1CC(=O)OC1(C)C 238450390 573618741 /nfs/dbraw/zinc/61/87/41/573618741.db2.gz HAGIBPFBIVOSJV-BQBZGAKWSA-N 0 0 172.224 1.099 10 0 ADAERN Cc1cccc2c1C(=O)NCC[C@H]2O 238450259 573618747 /nfs/dbraw/zinc/61/87/47/573618747.db2.gz JLIYFNJFHMLYDW-SECBINFHSA-N 0 0 191.230 1.162 10 0 ADAERN C[C@H](O)C[C@]1(c2ccccc2F)CO1 238451400 573618772 /nfs/dbraw/zinc/61/87/72/573618772.db2.gz FNLHNFGOKGFYQC-GZMMTYOYSA-N 0 0 196.221 1.822 10 0 ADAERN CCC[C@H](C)N1CCC(=O)NC1=O 86784904 573618806 /nfs/dbraw/zinc/61/88/06/573618806.db2.gz DQVWNYHDGKNCSM-ZETCQYMHSA-N 0 0 184.239 1.117 10 0 ADAERN OC[C@@H]1CNc2cccc(F)c21 107457042 573618830 /nfs/dbraw/zinc/61/88/30/573618830.db2.gz OHKHFECQLJTJQC-LURJTMIESA-N 0 0 167.183 1.327 10 0 ADAERN COCOc1ccc(Cl)cc1N 83748364 573618832 /nfs/dbraw/zinc/61/88/32/573618832.db2.gz SJCDMJOWDXUQDK-UHFFFAOYSA-N 0 0 187.626 1.905 10 0 ADAERN CCC[C@@H](C)N1CCC(=O)NC1=O 86784902 573618833 /nfs/dbraw/zinc/61/88/33/573618833.db2.gz DQVWNYHDGKNCSM-SSDOTTSWSA-N 0 0 184.239 1.117 10 0 ADAERN C[C@@]12CC[C@H](O)[C@@H](C1)C(=O)C2 238449995 573618862 /nfs/dbraw/zinc/61/88/62/573618862.db2.gz OXBRGODLTAXZEB-BKPPORCPSA-N 0 0 154.209 1.127 10 0 ADAERN Cc1cc(=O)cc2cnccn12 238450309 573618869 /nfs/dbraw/zinc/61/88/69/573618869.db2.gz UGQZNOUBEUXLCE-UHFFFAOYSA-N 0 0 160.176 1.003 10 0 ADAERN CC[C@@H](C)[C@@H](C)N1CCC(=O)NC1=O 86786872 573618892 /nfs/dbraw/zinc/61/88/92/573618892.db2.gz HJIDRVLZMLKJQH-HTQZYQBOSA-N 0 0 198.266 1.363 10 0 ADAERN O=Cc1cc(C=O)c2c(c1)CCC2 75564419 573618898 /nfs/dbraw/zinc/61/88/98/573618898.db2.gz ACKUNKGBGFWGMX-UHFFFAOYSA-N 0 0 174.199 1.800 10 0 ADAERN C[C@@H]1NCc2ccccc2N(C)C1=O 83748276 573618902 /nfs/dbraw/zinc/61/89/02/573618902.db2.gz IFUDBYHTZQLQGN-QMMMGPOBSA-N 0 0 190.246 1.141 10 0 ADAERN CCSc1c(CC)noc1N 75562927 573618907 /nfs/dbraw/zinc/61/89/07/573618907.db2.gz TVFIMYLPERYNPC-UHFFFAOYSA-N 0 0 172.253 1.931 10 0 ADAERN CC(C)C[C@H](C)N1CCC(=O)NC1=O 86785491 573618912 /nfs/dbraw/zinc/61/89/12/573618912.db2.gz LYKBVXXEHMMHCE-QMMMGPOBSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@@H](CO)c1ccc(O)c(F)c1F 258070227 573618953 /nfs/dbraw/zinc/61/89/53/573618953.db2.gz METCHPNYBSHDAV-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN Cc1cccc2c1NC=C[C@H]2O 238450223 573618932 /nfs/dbraw/zinc/61/89/32/573618932.db2.gz YHJLGUXKBJLAJQ-SECBINFHSA-N 0 0 161.204 1.968 10 0 ADAERN CCCCc1nnc(CNC2CC2)o1 50616206 573618944 /nfs/dbraw/zinc/61/89/44/573618944.db2.gz LYBMCPCNRSPZNH-UHFFFAOYSA-N 0 0 195.266 1.664 10 0 ADAERN C[C@H](O)Cc1c(F)cccc1N(C)C 258070290 573618963 /nfs/dbraw/zinc/61/89/63/573618963.db2.gz MGGMVNYWJZFVLX-QMMMGPOBSA-N 0 0 197.253 1.815 10 0 ADAERN COc1c(O)ccc2c1C(=O)CC2 238450175 573618999 /nfs/dbraw/zinc/61/89/99/573618999.db2.gz RRKHKZJRKSMGJP-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN Cc1cccc2c1CC[C@]2(O)CO 257837681 573619025 /nfs/dbraw/zinc/61/90/25/573619025.db2.gz LLSNACXHKYXVQE-NSHDSACASA-N 0 0 178.231 1.121 10 0 ADAERN C[C@H](O)C[C@H]1CCCCN1N=O 238450637 573619030 /nfs/dbraw/zinc/61/90/30/573619030.db2.gz UMKXYDFQEYEQEA-JGVFFNPUSA-N 0 0 172.228 1.293 10 0 ADAERN CC(C)[C@@H](C)N1C[C@@H](C)C(=O)NC1=O 86784679 573619035 /nfs/dbraw/zinc/61/90/35/573619035.db2.gz GSEUKGYWTOBCOG-HTQZYQBOSA-N 0 0 198.266 1.219 10 0 ADAERN Cc1cccc2c1C[C@@H](CO)N2 107456607 573619041 /nfs/dbraw/zinc/61/90/41/573619041.db2.gz WOAZHYONDDBGPC-QMMMGPOBSA-N 0 0 163.220 1.324 10 0 ADAERN C[C@H]1CCC[C@@H]1N1CCC(=O)NC1=O 86786293 573619043 /nfs/dbraw/zinc/61/90/43/573619043.db2.gz SGWVUTDJEVPHGE-YUMQZZPRSA-N 0 0 196.250 1.117 10 0 ADAERN Cc1cccc2c1N[C@H](CO)C2 107456619 573619047 /nfs/dbraw/zinc/61/90/47/573619047.db2.gz NKXKUVUDIWJRDL-VIFPVBQESA-N 0 0 163.220 1.324 10 0 ADAERN OCc1cccc(C2(CO)CC2)c1 259530059 573619088 /nfs/dbraw/zinc/61/90/88/573619088.db2.gz UELCELSBLFCQND-UHFFFAOYSA-N 0 0 178.231 1.203 10 0 ADAERN COCSc1ncccc1N 83749039 573619089 /nfs/dbraw/zinc/61/90/89/573619089.db2.gz YUDHEMXZOZDJIM-UHFFFAOYSA-N 0 0 170.237 1.360 10 0 ADAERN OC[C@@H]1Cc2ccc(F)cc2N1 107457054 573619125 /nfs/dbraw/zinc/61/91/25/573619125.db2.gz VJCIHKQPAMEIMV-QMMMGPOBSA-N 0 0 167.183 1.155 10 0 ADAERN COc1cc(CCO)c(F)cc1F 258070241 573619130 /nfs/dbraw/zinc/61/91/30/573619130.db2.gz MFERIXVFHBPTAI-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN CC(C)c1cnc(C=O)nc1 107455211 573619158 /nfs/dbraw/zinc/61/91/58/573619158.db2.gz PJZWXRSTURIIKD-UHFFFAOYSA-N 0 0 150.181 1.413 10 0 ADAERN CC(C)C[C@@H]([NH+](C)C)C1(C(=O)[O-])CC1 259528534 573619160 /nfs/dbraw/zinc/61/91/60/573619160.db2.gz NCEYDWLFFFZPPW-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1cccc2c1NC=N[C@H]2O 238450375 573619173 /nfs/dbraw/zinc/61/91/73/573619173.db2.gz LOESQHDZILVEPF-VIFPVBQESA-N 0 0 162.192 1.249 10 0 ADAERN O=C1CCC[C@]12CCCC[C@@H]2O 142845019 573619175 /nfs/dbraw/zinc/61/91/75/573619175.db2.gz JBTRYDNHOPZACS-WPRPVWTQSA-N 0 0 168.236 1.661 10 0 ADAERN COc1ccc(F)c(CCO)c1F 258070218 573619178 /nfs/dbraw/zinc/61/91/78/573619178.db2.gz MEPIIFAUVHOCQN-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN CCC(CC)N1C[C@H](C)C(=O)NC1=O 86785052 573619182 /nfs/dbraw/zinc/61/91/82/573619182.db2.gz NKQJTUBHLSLRDI-ZETCQYMHSA-N 0 0 198.266 1.363 10 0 ADAERN CNc1c(N)ccc2c1OCCO2 142803145 573619187 /nfs/dbraw/zinc/61/91/87/573619187.db2.gz NMNOHNDQDHDJKF-UHFFFAOYSA-N 0 0 180.207 1.082 10 0 ADAERN Cc1cc(=O)cc2ccncn12 238450288 573619202 /nfs/dbraw/zinc/61/92/02/573619202.db2.gz ZXACUSFQIBYABD-UHFFFAOYSA-N 0 0 160.176 1.003 10 0 ADAERN CCC(C)(C)N1CCC(=O)NC1=O 86785075 573619205 /nfs/dbraw/zinc/61/92/05/573619205.db2.gz CRTHXQZSAVVELN-UHFFFAOYSA-N 0 0 184.239 1.117 10 0 ADAERN C[C@H]1CN(CC(C)(C)C)C(=O)NC1=O 86786653 573619213 /nfs/dbraw/zinc/61/92/13/573619213.db2.gz ZOEPMSXGTMWBCI-ZETCQYMHSA-N 0 0 198.266 1.220 10 0 ADAERN C[C@H](O)C[C@]1(C)C[C@@H](C)OC1=O 238451261 573619222 /nfs/dbraw/zinc/61/92/22/573619222.db2.gz RZAISNOGUUBZLC-LKEWCRSYSA-N 0 0 172.224 1.099 10 0 ADAERN CCC(=N)Nc1ccn(C)n1 86781429 573619246 /nfs/dbraw/zinc/61/92/46/573619246.db2.gz BQQSZFIFRBUJNG-UHFFFAOYSA-N 0 0 152.201 1.219 10 0 ADAERN O=Cc1cc(O)c2ncccc2c1 75563293 573619248 /nfs/dbraw/zinc/61/92/48/573619248.db2.gz ROMORGXJVYYQLO-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN COCOc1cccc(N)c1C 83748379 573619249 /nfs/dbraw/zinc/61/92/49/573619249.db2.gz DUFZGUPCOOTWKG-UHFFFAOYSA-N 0 0 167.208 1.560 10 0 ADAERN CC(=O)c1ccc(CCO)s1 142817768 573619252 /nfs/dbraw/zinc/61/92/52/573619252.db2.gz FQBPUDRLOQOVGM-UHFFFAOYSA-N 0 0 170.233 1.486 10 0 ADAERN CCCCCN1C[C@H](C)C(=O)NC1=O 86784836 573619264 /nfs/dbraw/zinc/61/92/64/573619264.db2.gz DJMYWJYQWFXUPL-QMMMGPOBSA-N 0 0 198.266 1.365 10 0 ADAERN COc1c(O)ccc2c1OCCO2 238450467 573619270 /nfs/dbraw/zinc/61/92/70/573619270.db2.gz PPHASYZGRGQBOC-UHFFFAOYSA-N 0 0 182.175 1.172 10 0 ADAERN C[C@H](O)c1ccc(-c2cnn(C)c2)o1 86781883 573619272 /nfs/dbraw/zinc/61/92/72/573619272.db2.gz YXIMTEVXMYCMBZ-ZETCQYMHSA-N 0 0 192.218 1.733 10 0 ADAERN COCOc1cc(C)ccc1N 83748367 573619295 /nfs/dbraw/zinc/61/92/95/573619295.db2.gz GQIFAZANRXROQG-UHFFFAOYSA-N 0 0 167.208 1.560 10 0 ADAERN CCc1cnn(-c2cccc(F)n2)c1 402074068 573619314 /nfs/dbraw/zinc/61/93/14/573619314.db2.gz SNOPXEWNNRXJCK-UHFFFAOYSA-N 0 0 191.209 1.969 10 0 ADAERN C[C@H](F)Cn1cccc1C=O 211957604 573619324 /nfs/dbraw/zinc/61/93/24/573619324.db2.gz NZFQPWSFLOJZPZ-ZETCQYMHSA-N 0 0 155.172 1.659 10 0 ADAERN C[C@H](O)[C@H](O)c1ccc(F)cc1 142789900 573619328 /nfs/dbraw/zinc/61/93/28/573619328.db2.gz LZRDVYWKYXGDNE-RCOVLWMOSA-N 0 0 170.183 1.240 10 0 ADAERN C[C@@]1(c2ccc(N)cc2)CCOC1 257837673 573619350 /nfs/dbraw/zinc/61/93/50/573619350.db2.gz LLFXUKBRIOHTQT-LLVKDONJSA-N 0 0 177.247 1.947 10 0 ADAERN CC(=O)c1ncc(C2CC2)cn1 107456445 573619360 /nfs/dbraw/zinc/61/93/60/573619360.db2.gz VQGURBNBICJTCJ-UHFFFAOYSA-N 0 0 162.192 1.557 10 0 ADAERN C[C@H]1CCC[C@@H](N2CC(=O)NC2=O)C1 86785464 573619362 /nfs/dbraw/zinc/61/93/62/573619362.db2.gz ZZJHEKQAMOLHBB-JGVFFNPUSA-N 0 0 196.250 1.117 10 0 ADAERN CC[C@@H](C)SCCn1cc(N)cn1 50615250 573619365 /nfs/dbraw/zinc/61/93/65/573619365.db2.gz XULYOSCXKMHEQQ-MRVPVSSYSA-N 0 0 199.323 1.997 10 0 ADAERN Cc1ccc2c(c1)NC[C@H]2CO 107456600 573619371 /nfs/dbraw/zinc/61/93/71/573619371.db2.gz ZTHCPJQRTKYVJF-QMMMGPOBSA-N 0 0 163.220 1.496 10 0 ADAERN CC[C@@H](C)[C@H](C)N1CCC(=O)NC1=O 86786876 573619374 /nfs/dbraw/zinc/61/93/74/573619374.db2.gz HJIDRVLZMLKJQH-SFYZADRCSA-N 0 0 198.266 1.363 10 0 ADAERN Cc1cccc2c1COC[C@H]2[NH3+] 238450116 573619375 /nfs/dbraw/zinc/61/93/75/573619375.db2.gz QGSBBUGSFAKLED-SNVBAGLBSA-N 0 0 163.220 1.525 10 0 ADAERN O=Cc1cc(F)c2c(c1)CCO2 107456907 573619377 /nfs/dbraw/zinc/61/93/77/573619377.db2.gz BPKQDJONSWDOFI-UHFFFAOYSA-N 0 0 166.151 1.573 10 0 ADAERN c1cc2n(n1)C[C@H](C1CC1)CN2 107456637 573619409 /nfs/dbraw/zinc/61/94/09/573619409.db2.gz PVPYBEOIRDCGPK-MRVPVSSYSA-N 0 0 163.224 1.335 10 0 ADAERN C/C=C\[C@]1(O)CCCCC[C@H]1CO 393543493 573619410 /nfs/dbraw/zinc/61/94/10/573619410.db2.gz BCTIPSFDGNYJPE-DNCWWPBJSA-N 0 0 184.279 1.866 10 0 ADAERN COCOc1cccc2c1CC[C@H]2O 83749099 573619443 /nfs/dbraw/zinc/61/94/43/573619443.db2.gz JQMMSUXCRNJTLJ-SNVBAGLBSA-N 0 0 194.230 1.649 10 0 ADAERN CCCOc1cccnc1C(N)=S 130517038 573619444 /nfs/dbraw/zinc/61/94/44/573619444.db2.gz HDAVZUCKAOFRDF-UHFFFAOYSA-N 0 0 196.275 1.505 10 0 ADAERN C[C@H](O)C[C@H]1COc2ccc(O)cc21 238450873 573619451 /nfs/dbraw/zinc/61/94/51/573619451.db2.gz ISMGTCXISLTPLO-YUMQZZPRSA-N 0 0 194.230 1.639 10 0 ADAERN C[C@@H](O)c1ccsc1[C@@H](C)O 142794810 573619465 /nfs/dbraw/zinc/61/94/65/573619465.db2.gz NDNCIWILPFELQX-PHDIDXHHSA-N 0 0 172.249 1.855 10 0 ADAERN C[C@H](O)c1ccc2c(c1)[C@@H](O)CC2 238450895 573619482 /nfs/dbraw/zinc/61/94/82/573619482.db2.gz IXZBUYUGALSOFL-CPCISQLKSA-N 0 0 178.231 1.720 10 0 ADAERN Nc1n[nH]cc1[C@@H](O)C1CCCC1 83747388 573619483 /nfs/dbraw/zinc/61/94/83/573619483.db2.gz LXCXXJVRYKMKAO-QMMMGPOBSA-N 0 0 181.239 1.216 10 0 ADAERN OCC[C@@H]1OCc2cc(F)ccc2O1 258411882 573619491 /nfs/dbraw/zinc/61/94/91/573619491.db2.gz ZQRUPHQTSJOUDE-SNVBAGLBSA-N 0 0 198.193 1.443 10 0 ADAERN CC[C@@H](C)CN1C[C@H](C)C(=O)NC1=O 86785939 573619497 /nfs/dbraw/zinc/61/94/97/573619497.db2.gz XWRJIOCGHADBMQ-SFYZADRCSA-N 0 0 198.266 1.220 10 0 ADAERN CC[C@H](C)ONC(=O)[C@H](C)COC 308407623 573619509 /nfs/dbraw/zinc/61/95/09/573619509.db2.gz KHSRPWBQMPVJQE-SFYZADRCSA-N 0 0 189.255 1.115 10 0 ADAERN C[C@H](O)C[C@H]1CCC[C@@H](O)C1 238450711 573619535 /nfs/dbraw/zinc/61/95/35/573619535.db2.gz VNMIGJUUDPBDIE-DJLDLDEBSA-N 0 0 158.241 1.308 10 0 ADAERN Cn1ncc([C@@H](O)C2CCCC2)c1N 83747194 573619544 /nfs/dbraw/zinc/61/95/44/573619544.db2.gz YLACUJWLFMHANI-VIFPVBQESA-N 0 0 195.266 1.226 10 0 ADAERN Cn1ccc(Cc2cnc(N)s2)n1 86781778 573619549 /nfs/dbraw/zinc/61/95/49/573619549.db2.gz KIPPKCAGYQFQLR-UHFFFAOYSA-N 0 0 194.263 1.050 10 0 ADAERN C[C@H](O)C[C@]1(C)OCCS1 238451280 573619554 /nfs/dbraw/zinc/61/95/54/573619554.db2.gz NDRVPEYOGNPWAB-NKWVEPMBSA-N 0 0 162.254 1.237 10 0 ADAERN C[C@H](O)C[C@H](O)C[Si](C)(C)C 238450089 573619571 /nfs/dbraw/zinc/61/95/71/573619571.db2.gz TZVRIBAMBJKFNF-YUMQZZPRSA-N 0 0 176.332 1.456 10 0 ADAERN COCOc1ccc(N)c(C)c1 83748359 573619581 /nfs/dbraw/zinc/61/95/81/573619581.db2.gz BCCFCHNIUSRQOQ-UHFFFAOYSA-N 0 0 167.208 1.560 10 0 ADAERN CC1CCC(N2CC(=O)NC2=O)CC1 86785217 573619619 /nfs/dbraw/zinc/61/96/19/573619619.db2.gz DNHUGCFMKKXYOR-UHFFFAOYSA-N 0 0 196.250 1.117 10 0 ADAERN C[C@H](O)c1nc(N)c2ccccc2n1 142796499 573619623 /nfs/dbraw/zinc/61/96/23/573619623.db2.gz FNGPPVRFQXENEK-LURJTMIESA-N 0 0 189.218 1.265 10 0 ADAERN CC(C)(C)[C@H](O)c1c[nH]nc1N 83747531 573619632 /nfs/dbraw/zinc/61/96/32/573619632.db2.gz SRXXKIDEGYCERE-ZCFIWIBFSA-N 0 0 169.228 1.071 10 0 ADAERN C[C@H](O)c1ccsc1[C@H](C)O 142795459 573619635 /nfs/dbraw/zinc/61/96/35/573619635.db2.gz NDNCIWILPFELQX-WDSKDSINSA-N 0 0 172.249 1.855 10 0 ADAERN C[C@@H]1c2ccccc2C(=O)O[C@@H]1O 238450419 573619640 /nfs/dbraw/zinc/61/96/40/573619640.db2.gz USWFQCOCCLUYTE-MUWHJKNJSA-N 0 0 178.187 1.279 10 0 ADAERN COC1=C2CCCC=C2NC1=O 238451097 573619644 /nfs/dbraw/zinc/61/96/44/573619644.db2.gz RINUCELKDHBQQJ-UHFFFAOYSA-N 0 0 165.192 1.085 10 0 ADAERN O=[S@](CCC1CC1)c1cnccn1 308407521 573619645 /nfs/dbraw/zinc/61/96/45/573619645.db2.gz MPFKPKARJYVKDM-CYBMUJFWSA-N 0 0 196.275 1.384 10 0 ADAERN CCOc1cccc2[nH]c(=O)n(C)c12 142796414 573619668 /nfs/dbraw/zinc/61/96/68/573619668.db2.gz UYUTYYIDCHJHAE-UHFFFAOYSA-N 0 0 192.218 1.265 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](C2CCC2)[NH2+]C1 107460369 573620435 /nfs/dbraw/zinc/62/04/35/573620435.db2.gz XHPTYPXGSYHAEG-DTWKUNHWSA-N 0 0 183.251 1.239 10 0 ADAERN C[C@H]1CCCC[C@@H]1N1CC(=O)NC1=O 86785163 573619707 /nfs/dbraw/zinc/61/97/07/573619707.db2.gz UJEHUDFCZPLSBT-YUMQZZPRSA-N 0 0 196.250 1.117 10 0 ADAERN COC[S@@](=O)c1ccccc1F 83755804 573619715 /nfs/dbraw/zinc/61/97/15/573619715.db2.gz XSNFCFUNOXVVHA-LBPRGKRZSA-N 0 0 188.223 1.537 10 0 ADAERN CCCN1CCCC(=O)C1(C)C 258823852 573619718 /nfs/dbraw/zinc/61/97/18/573619718.db2.gz OVLPFRJGQSPVLR-UHFFFAOYSA-N 0 0 169.268 1.840 10 0 ADAERN CC(C)[C@H](C)N1C[C@@H](C)C(=O)NC1=O 86784673 573619720 /nfs/dbraw/zinc/61/97/20/573619720.db2.gz GSEUKGYWTOBCOG-SFYZADRCSA-N 0 0 198.266 1.219 10 0 ADAERN CC(C)(C)[C@@H](O)c1c[nH]nc1N 83747532 573619740 /nfs/dbraw/zinc/61/97/40/573619740.db2.gz SRXXKIDEGYCERE-LURJTMIESA-N 0 0 169.228 1.071 10 0 ADAERN Nc1nonc1C1CCCCC1 107457101 573619745 /nfs/dbraw/zinc/61/97/45/573619745.db2.gz VWTXYZZSWKLHNU-UHFFFAOYSA-N 0 0 167.212 1.700 10 0 ADAERN CC[C@H](C)OCCn1cc(N)cn1 50615195 573619751 /nfs/dbraw/zinc/61/97/51/573619751.db2.gz WBIBCKPRPWFCJO-QMMMGPOBSA-N 0 0 183.255 1.280 10 0 ADAERN C[C@H]1CC(=O)CC2(C1)OCCO2 238451164 573619752 /nfs/dbraw/zinc/61/97/52/573619752.db2.gz FXICKBZGWFSHLS-ZETCQYMHSA-N 0 0 170.208 1.119 10 0 ADAERN CCCc1c[nH][nH]c1=O 258823780 573619756 /nfs/dbraw/zinc/61/97/56/573619756.db2.gz OTJXFGSQLQQNNE-UHFFFAOYSA-N 0 0 126.159 1.068 10 0 ADAERN CCOc1c(N)cnnc1Cl 75563987 573619763 /nfs/dbraw/zinc/61/97/63/573619763.db2.gz XRNLGMHCDUDPPP-UHFFFAOYSA-N 0 0 173.603 1.111 10 0 ADAERN C[C@@H]1[NH2+][C@H](C(=O)[O-])Cc2ccccc21 142811894 573619790 /nfs/dbraw/zinc/61/97/90/573619790.db2.gz HLZSLBLFYBLKTL-XVKPBYJWSA-N 0 0 191.230 1.347 10 0 ADAERN COCOc1cccc(C)c1N 83748381 573619797 /nfs/dbraw/zinc/61/97/97/573619797.db2.gz TWPATQKNFGCTLI-UHFFFAOYSA-N 0 0 167.208 1.560 10 0 ADAERN COCOc1cccc(O)c1C 83749178 573619807 /nfs/dbraw/zinc/61/98/07/573619807.db2.gz BTRBFLFKZSVCCJ-UHFFFAOYSA-N 0 0 168.192 1.683 10 0 ADAERN Nc1n[nH]cc1[C@@H](O)c1ccccc1 83747564 573619812 /nfs/dbraw/zinc/61/98/12/573619812.db2.gz YPZSNVMFZAEMTA-VIFPVBQESA-N 0 0 189.218 1.074 10 0 ADAERN CC(C)[C@@H](C)CN1CCC(=O)NC1=O 86787782 573619817 /nfs/dbraw/zinc/61/98/17/573619817.db2.gz JUGPKPYJXRNWGY-QMMMGPOBSA-N 0 0 198.266 1.220 10 0 ADAERN C[C@H]1C(=O)[C@H]2CC(C)(C)[C@@H]1O2 238451054 573619822 /nfs/dbraw/zinc/61/98/22/573619822.db2.gz MNFDQOKQMAEUMD-SHYZEUOFSA-N 0 0 154.209 1.389 10 0 ADAERN C[C@H]1CC[C@@]2(OC2(C)C)[C@@H](O)C1 238450458 573619828 /nfs/dbraw/zinc/61/98/28/573619828.db2.gz UWIHVAMOLYZPJY-OYNCUSHFSA-N 0 0 170.252 1.715 10 0 ADAERN O[C@@H]1OCCOC12CCCCC2 142813458 573619855 /nfs/dbraw/zinc/61/98/55/573619855.db2.gz YDXOOAIIONLYKT-MRVPVSSYSA-N 0 0 172.224 1.055 10 0 ADAERN CC[C@H]([NH2+]Cc1ccoc1)C(=O)[O-] 130622565 573619873 /nfs/dbraw/zinc/61/98/73/573619873.db2.gz DOSUIWQRNGQWKM-QMMMGPOBSA-N 0 0 183.207 1.232 10 0 ADAERN COCSc1ccc(N)cn1 83749040 573619878 /nfs/dbraw/zinc/61/98/78/573619878.db2.gz BNLBKMMISBOWOX-UHFFFAOYSA-N 0 0 170.237 1.360 10 0 ADAERN C[C@H]1CCC[C@@H](C/C=C/CO)C1=O 238450343 573619894 /nfs/dbraw/zinc/61/98/94/573619894.db2.gz HPUOKQUDACZGOH-MDCNRGEUSA-N 0 0 182.263 1.930 10 0 ADAERN Cc1cc([C@@H](N)c2nc[nH]n2)cs1 83746113 573619901 /nfs/dbraw/zinc/61/99/01/573619901.db2.gz YVCSSVJTOYMNLC-SSDOTTSWSA-N 0 0 194.263 1.223 10 0 ADAERN C[C@@H](NOC(C)(C)C)c1cn[nH]c1 393543478 573619906 /nfs/dbraw/zinc/61/99/06/573619906.db2.gz AWGHFJHWMPLHNB-SSDOTTSWSA-N 0 0 183.255 1.790 10 0 ADAERN CC(=O)OC[C@@H]1O[C@H](C)C[C@@H]1C 238450352 573619908 /nfs/dbraw/zinc/61/99/08/573619908.db2.gz UBJFBRRDLPCGOK-OOZYFLPDSA-N 0 0 172.224 1.363 10 0 ADAERN CC1(N2CCC(=O)NC2=O)CCCC1 86787597 573619911 /nfs/dbraw/zinc/61/99/11/573619911.db2.gz VBZGAXLTKWDQDZ-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN COCn1ccc2c(CO)cccc21 83749191 573619920 /nfs/dbraw/zinc/61/99/20/573619920.db2.gz NLBWEEGJNZGEJB-UHFFFAOYSA-N 0 0 191.230 1.738 10 0 ADAERN C[C@@H](CC1CC1)N1CCC(=O)NC1=O 86786263 573619924 /nfs/dbraw/zinc/61/99/24/573619924.db2.gz QKEGQUGCMXSLGC-ZETCQYMHSA-N 0 0 196.250 1.117 10 0 ADAERN CCCCC[C@H](O)c1cnn(C)c1N 83747173 573619925 /nfs/dbraw/zinc/61/99/25/573619925.db2.gz NOTANMZDMQWCCH-VIFPVBQESA-N 0 0 197.282 1.616 10 0 ADAERN Cc1ccccc1[C@@H](N)c1nc[nH]n1 83746199 573619931 /nfs/dbraw/zinc/61/99/31/573619931.db2.gz UFCRXRMKYKDQHV-SECBINFHSA-N 0 0 188.234 1.161 10 0 ADAERN O=C1CCN([C@@H]2CC=CCC2)C(=O)N1 86788006 573619933 /nfs/dbraw/zinc/61/99/33/573619933.db2.gz GSSNJJURMYXCKI-MRVPVSSYSA-N 0 0 194.234 1.037 10 0 ADAERN C[C@H]1CC(=O)C2CC1C2 238450019 573619946 /nfs/dbraw/zinc/61/99/46/573619946.db2.gz PDNKSIFRGBEPCV-VTSJMVTISA-N 0 0 124.183 1.622 10 0 ADAERN C[C@@H]1CCC[C@@H]1N1CCC(=O)NC1=O 86786291 573619948 /nfs/dbraw/zinc/61/99/48/573619948.db2.gz SGWVUTDJEVPHGE-SFYZADRCSA-N 0 0 196.250 1.117 10 0 ADAERN CC(=O)Nc1ccnc(C(C)=O)c1 142828359 573619951 /nfs/dbraw/zinc/61/99/51/573619951.db2.gz PFDMEPWLVZWIQU-UHFFFAOYSA-N 0 0 178.191 1.243 10 0 ADAERN Cn1ncc(C(=O)C2CCCC2)c1N 83746941 573619955 /nfs/dbraw/zinc/61/99/55/573619955.db2.gz ACKIQQPVTFAXHF-UHFFFAOYSA-N 0 0 193.250 1.375 10 0 ADAERN COCOc1ccc2c(c1)OC[C@H]2O 83749101 573619961 /nfs/dbraw/zinc/61/99/61/573619961.db2.gz UXBFUSSDIUUDCG-SECBINFHSA-N 0 0 196.202 1.095 10 0 ADAERN COCOc1ccc2c(c1)OCC2=O 83748946 573619972 /nfs/dbraw/zinc/61/99/72/573619972.db2.gz YASRFXMEZMXQOC-UHFFFAOYSA-N 0 0 194.186 1.244 10 0 ADAERN Cn1cc(-n2cccc2C=O)cn1 86781801 573620270 /nfs/dbraw/zinc/62/02/70/573620270.db2.gz ICYQLFIBOSIMNC-UHFFFAOYSA-N 0 0 175.191 1.023 10 0 ADAERN COCOc1cccc2c1CC[C@@H]2O 83749098 573619997 /nfs/dbraw/zinc/61/99/97/573619997.db2.gz JQMMSUXCRNJTLJ-JTQLQIEISA-N 0 0 194.230 1.649 10 0 ADAERN C[C@H]1CN(C2CCCC2)C(=O)NC1=O 86785047 573620003 /nfs/dbraw/zinc/62/00/03/573620003.db2.gz CPSLFRRVQIAAOM-ZETCQYMHSA-N 0 0 196.250 1.117 10 0 ADAERN CC(C)Cc1cnoc1C=O 257837808 573620021 /nfs/dbraw/zinc/62/00/21/573620021.db2.gz MOJJEJCICWDMSB-UHFFFAOYSA-N 0 0 153.181 1.686 10 0 ADAERN C[C@H](C1CCCC1)N1CC(=O)NC1=O 86786429 573620022 /nfs/dbraw/zinc/62/00/22/573620022.db2.gz WMUSWYDULPJZJD-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN COCOc1c(C)cc(N)cc1C 83748415 573620033 /nfs/dbraw/zinc/62/00/33/573620033.db2.gz UFFGPZADDQLCPO-UHFFFAOYSA-N 0 0 181.235 1.868 10 0 ADAERN Nc1n[nH]cc1[C@H](O)c1cccs1 83747398 573620039 /nfs/dbraw/zinc/62/00/39/573620039.db2.gz YPIUNGWXZIYKFU-ZETCQYMHSA-N 0 0 195.247 1.135 10 0 ADAERN C[C@H](O)c1ccc2ccc(=O)oc2c1 238451085 573620046 /nfs/dbraw/zinc/62/00/46/573620046.db2.gz PTPTVCJEWNIZNN-ZETCQYMHSA-N 0 0 190.198 1.846 10 0 ADAERN CCC(C)(C)N1C[C@H](C)C(=O)NC1=O 86785070 573620062 /nfs/dbraw/zinc/62/00/62/573620062.db2.gz SKLWZIWHDFSCEB-ZETCQYMHSA-N 0 0 198.266 1.363 10 0 ADAERN COCSc1sc(N)nc1C 83749034 573620075 /nfs/dbraw/zinc/62/00/75/573620075.db2.gz GDCQEPKTGBDJFB-UHFFFAOYSA-N 0 0 190.293 1.730 10 0 ADAERN Cc1noc2c1C(=O)CCCC2 142890573 573620090 /nfs/dbraw/zinc/62/00/90/573620090.db2.gz HQTXFVDAQYWBPB-UHFFFAOYSA-N 0 0 165.192 1.892 10 0 ADAERN c1cc(CNCc2ccoc2)ncn1 130618139 573620098 /nfs/dbraw/zinc/62/00/98/573620098.db2.gz OBNURNHJJZPEFC-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN C[C@@H]1c2ccccc2C[C@](C)(O)[C@@H]1O 238450910 573620103 /nfs/dbraw/zinc/62/01/03/573620103.db2.gz NVLBOOHZVJYCSD-FXAINCCUSA-N 0 0 192.258 1.458 10 0 ADAERN C[C@H](O)C[C@H]1CC(C)(C)CC(=O)N1 238450409 573620107 /nfs/dbraw/zinc/62/01/07/573620107.db2.gz HOYDFZVVWJMNJM-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@H](O)C[C@H](O)OCc1ccccc1 238450103 573620122 /nfs/dbraw/zinc/62/01/22/573620122.db2.gz VCXWMZFTVOUUAO-GXSJLCMTSA-N 0 0 196.246 1.293 10 0 ADAERN CC(=O)C[C@@]1(C)CC[C@H](C)C1=O 238450857 573620135 /nfs/dbraw/zinc/62/01/35/573620135.db2.gz WQLPYXYWYGIQBH-OIBJUYFYSA-N 0 0 168.236 1.971 10 0 ADAERN Cn1cc(Cc2cnc(N)s2)cn1 86781748 573620136 /nfs/dbraw/zinc/62/01/36/573620136.db2.gz NYVSUPKSXYERDE-UHFFFAOYSA-N 0 0 194.263 1.050 10 0 ADAERN CC(C)[C@H](O)[C@H](O)c1cccc(F)c1 142858787 573620149 /nfs/dbraw/zinc/62/01/49/573620149.db2.gz RYWDNYZQWHKFKI-WDEREUQCSA-N 0 0 198.237 1.876 10 0 ADAERN C[C@H](CC1CC1)N1CCC(=O)NC1=O 86786265 573620159 /nfs/dbraw/zinc/62/01/59/573620159.db2.gz QKEGQUGCMXSLGC-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN CC(=O)Nc1ccnc([C@H](C)O)c1 142828791 573620276 /nfs/dbraw/zinc/62/02/76/573620276.db2.gz PHKDPGRDCIAAGO-LURJTMIESA-N 0 0 180.207 1.093 10 0 ADAERN O=C1NCCC[C@H]1Cc1cccnc1 142867939 573620198 /nfs/dbraw/zinc/62/01/98/573620198.db2.gz GPNYULUOEHFUEV-JTQLQIEISA-N 0 0 190.246 1.150 10 0 ADAERN CC(C)CC(=O)c1cnn(C)c1N 83746964 573620200 /nfs/dbraw/zinc/62/02/00/573620200.db2.gz VVGNQFSOICBDIA-UHFFFAOYSA-N 0 0 181.239 1.231 10 0 ADAERN C[C@@H](C1CCCC1)N1CC(=O)NC1=O 86786426 573620201 /nfs/dbraw/zinc/62/02/01/573620201.db2.gz WMUSWYDULPJZJD-ZETCQYMHSA-N 0 0 196.250 1.117 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCC[C@H]1C(=O)[O-] 107457943 573620218 /nfs/dbraw/zinc/62/02/18/573620218.db2.gz MOJJROVZIMNMAR-SFYZADRCSA-N 0 0 171.240 1.095 10 0 ADAERN CC(C)CC(=O)c1c[nH]nc1N 83747067 573620279 /nfs/dbraw/zinc/62/02/79/573620279.db2.gz YUXSONJCEFGTSH-UHFFFAOYSA-N 0 0 167.212 1.221 10 0 ADAERN Nc1n[nH]cc1[C@@H](O)c1cccs1 83747397 573620257 /nfs/dbraw/zinc/62/02/57/573620257.db2.gz YPIUNGWXZIYKFU-SSDOTTSWSA-N 0 0 195.247 1.135 10 0 ADAERN Cn1ccc(NC(=N)C2CCCC2)n1 86781417 573620314 /nfs/dbraw/zinc/62/03/14/573620314.db2.gz DDAAEVRCQYRLBX-UHFFFAOYSA-N 0 0 192.266 1.999 10 0 ADAERN CCN1C(=O)CNCc2ccccc21 83747678 573620326 /nfs/dbraw/zinc/62/03/26/573620326.db2.gz LBJNYEYSCXJEKP-UHFFFAOYSA-N 0 0 190.246 1.143 10 0 ADAERN COCOc1ccc(N)c(F)c1 83748396 573620344 /nfs/dbraw/zinc/62/03/44/573620344.db2.gz NGCGAMJZZRNKEF-UHFFFAOYSA-N 0 0 171.171 1.391 10 0 ADAERN CC[C@@H](CC(C)(C)C(=O)[O-])[NH2+]C 259131931 573620360 /nfs/dbraw/zinc/62/03/60/573620360.db2.gz BRWUGJFQQIZLRC-ZETCQYMHSA-N 0 0 173.256 1.485 10 0 ADAERN COC[S@@](=O)c1ccc(F)cc1 83755807 573620365 /nfs/dbraw/zinc/62/03/65/573620365.db2.gz VMHGIMITQCZUAW-LBPRGKRZSA-N 0 0 188.223 1.537 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@H](C(=O)[O-])C[NH2+]1 107461156 573620385 /nfs/dbraw/zinc/62/03/85/573620385.db2.gz PVJYUINQGVJHDK-YUMQZZPRSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1nnc2ccccc2c1C=O 75562309 573620451 /nfs/dbraw/zinc/62/04/51/573620451.db2.gz BBOYEDXOBWOLCA-UHFFFAOYSA-N 0 0 172.187 1.751 10 0 ADAERN Nc1n[nH]cc1[C@H](O)c1ccccc1 83747565 573620462 /nfs/dbraw/zinc/62/04/62/573620462.db2.gz YPZSNVMFZAEMTA-SECBINFHSA-N 0 0 189.218 1.074 10 0 ADAERN Nc1n[nH]cc1C(=O)C1CCCCC1 83747072 573620536 /nfs/dbraw/zinc/62/05/36/573620536.db2.gz MVGHJXWDRXAYMV-UHFFFAOYSA-N 0 0 193.250 1.755 10 0 ADAERN O=Cc1coc(C[C@H]2CCCCO2)n1 258075502 573620477 /nfs/dbraw/zinc/62/04/77/573620477.db2.gz MESMYTOFLFAHCB-SECBINFHSA-N 0 0 195.218 1.599 10 0 ADAERN C[C@H](O)c1ccc(-c2ccn(C)n2)o1 86781902 573620480 /nfs/dbraw/zinc/62/04/80/573620480.db2.gz ANHGNHICCVBERM-ZETCQYMHSA-N 0 0 192.218 1.733 10 0 ADAERN CCC[C@H](C)N1C[C@H](C)C(=O)NC1=O 86784894 573620490 /nfs/dbraw/zinc/62/04/90/573620490.db2.gz LOKGJKHZOXAXPM-YUMQZZPRSA-N 0 0 198.266 1.363 10 0 ADAERN OCc1ccc(OC2CCCC2)cn1 86792605 573620499 /nfs/dbraw/zinc/62/04/99/573620499.db2.gz CLHRODRKRXDWAM-UHFFFAOYSA-N 0 0 193.246 1.895 10 0 ADAERN CC[C@@H](OC)O[C@H](C)CCO 238287849 573620508 /nfs/dbraw/zinc/62/05/08/573620508.db2.gz MOAXCROQJGTVTL-SFYZADRCSA-N 0 0 162.229 1.156 10 0 ADAERN C[S@](=O)c1ccc(C=O)s1 75564618 573620511 /nfs/dbraw/zinc/62/05/11/573620511.db2.gz MRHMYTTVDDDRIV-SNVBAGLBSA-N 0 0 174.246 1.298 10 0 ADAERN Nc1cc(Cl)c2c(c1)CCC(=O)N2 142869394 573620540 /nfs/dbraw/zinc/62/05/40/573620540.db2.gz JAONZUWDJVNORQ-UHFFFAOYSA-N 0 0 196.637 1.807 10 0 ADAERN O=C1CN(CCC2CCCC2)C(=O)N1 86785801 573620557 /nfs/dbraw/zinc/62/05/57/573620557.db2.gz QOWKIEOKSXJQKC-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN NCC(=O)c1occc1Cl 82405395 573620567 /nfs/dbraw/zinc/62/05/67/573620567.db2.gz GYKDAGTXWLTWDG-UHFFFAOYSA-N 0 0 159.572 1.074 10 0 ADAERN C[C@]1(O)CNc2ccc(O)cc2C1 257837668 573620568 /nfs/dbraw/zinc/62/05/68/573620568.db2.gz LLCHVVCGGMKXSM-SNVBAGLBSA-N 0 0 179.219 1.111 10 0 ADAERN Cn1ccc(NC(=N)C(C)(C)C)n1 86781438 573620603 /nfs/dbraw/zinc/62/06/03/573620603.db2.gz HZFYTWKGBQCKQC-UHFFFAOYSA-N 0 0 180.255 1.855 10 0 ADAERN CN[C@H](c1ccsc1)c1nc[nH]n1 83746585 573620614 /nfs/dbraw/zinc/62/06/14/573620614.db2.gz OHRZEFQWNBJCKJ-SSDOTTSWSA-N 0 0 194.263 1.175 10 0 ADAERN COc1ccc2c(c1)C[C@H](CO)N2 107459394 573620645 /nfs/dbraw/zinc/62/06/45/573620645.db2.gz ZHIQSQYCPPRPRP-MRVPVSSYSA-N 0 0 179.219 1.024 10 0 ADAERN CC(C)c1nc2c(o1)CCNC2 82402921 573620654 /nfs/dbraw/zinc/62/06/54/573620654.db2.gz FKUVULSORLIMDE-UHFFFAOYSA-N 0 0 166.224 1.444 10 0 ADAERN Cn1ccc2cc(O)c(N)cc21 258070485 573620655 /nfs/dbraw/zinc/62/06/55/573620655.db2.gz ULPNLYAKFOTRIP-UHFFFAOYSA-N 0 0 162.192 1.466 10 0 ADAERN Cc1cn(-c2ccccc2O)cn1 75564515 573620656 /nfs/dbraw/zinc/62/06/56/573620656.db2.gz UGKFIZISGYFXBN-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN Cn1ncc([C@H](O)C(C)(C)C)c1N 83747286 573620673 /nfs/dbraw/zinc/62/06/73/573620673.db2.gz GGCXMWQATUICID-ZETCQYMHSA-N 0 0 183.255 1.082 10 0 ADAERN CN[C@H](c1nc[nH]n1)c1cccs1 83746592 573620680 /nfs/dbraw/zinc/62/06/80/573620680.db2.gz CBYHTJNXCHTDRT-ZETCQYMHSA-N 0 0 194.263 1.175 10 0 ADAERN C[C@H]1CCC[C@H](N2CC(=O)NC2=O)C1 86785459 573620685 /nfs/dbraw/zinc/62/06/85/573620685.db2.gz ZZJHEKQAMOLHBB-YUMQZZPRSA-N 0 0 196.250 1.117 10 0 ADAERN COc1cccc2c1N[C@@H](CO)C2 107459400 573620688 /nfs/dbraw/zinc/62/06/88/573620688.db2.gz YYWKYCOSKBIXOH-MRVPVSSYSA-N 0 0 179.219 1.024 10 0 ADAERN C[C@@H]1CN=C(c2ccccc2O)O1 238451480 573620691 /nfs/dbraw/zinc/62/06/91/573620691.db2.gz UIWIJKYFOGSUFG-SSDOTTSWSA-N 0 0 177.203 1.558 10 0 ADAERN CC[C@H](C)NC(=O)NC(=N)SC 142891066 573620697 /nfs/dbraw/zinc/62/06/97/573620697.db2.gz SUQAIIBKWZMIRY-YFKPBYRVSA-N 0 0 189.284 1.382 10 0 ADAERN C[C@]1(CCO)Cc2c(O)cccc21 238452592 573620700 /nfs/dbraw/zinc/62/07/00/573620700.db2.gz NYWSDLCQRQTERN-NSHDSACASA-N 0 0 178.231 1.588 10 0 ADAERN FC1(CNCc2c[nH]cn2)CCC1 308407572 573620701 /nfs/dbraw/zinc/62/07/01/573620701.db2.gz MSGXPAKQEQEHIR-UHFFFAOYSA-N 0 0 183.230 1.392 10 0 ADAERN CC1(CN2CC(=O)NC2=O)CCCC1 86786113 573620711 /nfs/dbraw/zinc/62/07/11/573620711.db2.gz CAVVCWKHQLTKGN-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN C[Si](C)(C)[Si](C)(C)CO 238451618 573620731 /nfs/dbraw/zinc/62/07/31/573620731.db2.gz ALGGGWKTLOSIBR-UHFFFAOYSA-N 0 0 162.381 1.643 10 0 ADAERN Cc1ccc2c(c1)cc1n2C[C@@H](O)C1 259533204 573620742 /nfs/dbraw/zinc/62/07/42/573620742.db2.gz BFPSCHKWHITCQU-NSHDSACASA-N 0 0 187.242 1.867 10 0 ADAERN CC1(C(=O)[O-])CCC(C[NH3+])CC1 75561329 573620750 /nfs/dbraw/zinc/62/07/50/573620750.db2.gz HSPNFMWHBVESAY-UHFFFAOYSA-N 0 0 171.240 1.226 10 0 ADAERN CC[C@H](O)[C@@H](O)c1ccc(F)cc1 142816997 573620751 /nfs/dbraw/zinc/62/07/51/573620751.db2.gz ZFTZLVDPGQTBIY-UWVGGRQHSA-N 0 0 184.210 1.630 10 0 ADAERN C[NH2+][C@@H](/C=C/C(=O)[O-])c1ccc(C)o1 259531298 573620777 /nfs/dbraw/zinc/62/07/77/573620777.db2.gz URBPHIAJTDAIRY-JQTRYQTASA-N 0 0 195.218 1.489 10 0 ADAERN Cn1ccc(Nc2cccc(F)n2)n1 86781097 573620790 /nfs/dbraw/zinc/62/07/90/573620790.db2.gz VRCIFBPGIMMPGN-UHFFFAOYSA-N 0 0 192.197 1.698 10 0 ADAERN CC[C@H](C(C)C)N1CCC(=O)NC1=O 86786954 573620816 /nfs/dbraw/zinc/62/08/16/573620816.db2.gz HMVFXTWOJUGNDK-MRVPVSSYSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@@H]1C[C@H](CO)C(CCO)=CC1(C)C 238452229 573620819 /nfs/dbraw/zinc/62/08/19/573620819.db2.gz PHIRQKWPGSFVHY-MWLCHTKSSA-N 0 0 198.306 1.970 10 0 ADAERN CC(C)C(C)(C)c1nc(N)n[nH]1 259530963 573620833 /nfs/dbraw/zinc/62/08/33/573620833.db2.gz BDLKOBVEZARION-UHFFFAOYSA-N 0 0 168.244 1.321 10 0 ADAERN C[C@]1(CCO)Cc2ccccc21 238452626 573620855 /nfs/dbraw/zinc/62/08/55/573620855.db2.gz UPIYTCFQQAKXMZ-NSHDSACASA-N 0 0 162.232 1.883 10 0 ADAERN Cc1cc2ccc(O)cc2c(=O)[nH]1 75565172 573620856 /nfs/dbraw/zinc/62/08/56/573620856.db2.gz NOSXDJKCUPRHNT-UHFFFAOYSA-N 0 0 175.187 1.542 10 0 ADAERN O=C1CCOC[C@H]1CC[C@@H]1CCCO1 236413998 573620864 /nfs/dbraw/zinc/62/08/64/573620864.db2.gz FQDZQHRHLYAQSM-ZJUUUORDSA-N 0 0 198.262 1.551 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N1CC(=O)NC1=O 86785161 573620879 /nfs/dbraw/zinc/62/08/79/573620879.db2.gz UJEHUDFCZPLSBT-SFYZADRCSA-N 0 0 196.250 1.117 10 0 ADAERN O=C1CCC[C@]12CCCC[C@H]2O 142844628 573620880 /nfs/dbraw/zinc/62/08/80/573620880.db2.gz JBTRYDNHOPZACS-SCZZXKLOSA-N 0 0 168.236 1.661 10 0 ADAERN COc1c[nH]c(C(=O)c2ccc[nH]2)c1 238452039 573620895 /nfs/dbraw/zinc/62/08/95/573620895.db2.gz TVOORALFWYODCB-UHFFFAOYSA-N 0 0 190.202 1.582 10 0 ADAERN C[C@H]1[NH2+][C@H](C(=O)[O-])Cc2ccccc21 142812089 573620947 /nfs/dbraw/zinc/62/09/47/573620947.db2.gz HLZSLBLFYBLKTL-XCBNKYQSSA-N 0 0 191.230 1.347 10 0 ADAERN NC1=NC(=O)N(c2ccccc2)CC1 142860612 573620965 /nfs/dbraw/zinc/62/09/65/573620965.db2.gz XZFNSGSOGLRMHA-UHFFFAOYSA-N 0 0 189.218 1.374 10 0 ADAERN Cc1cc([C@@H](C)O)c(F)cc1O 258070508 573620972 /nfs/dbraw/zinc/62/09/72/573620972.db2.gz UMWYPIHBYOINQS-ZCFIWIBFSA-N 0 0 170.183 1.893 10 0 ADAERN O=C1CN(C2CCCCCC2)C(=O)N1 86785385 573621120 /nfs/dbraw/zinc/62/11/20/573621120.db2.gz RFSTWKUGMVNKMD-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN Nc1c(O)ccc2oc(=O)ccc12 75567082 573620983 /nfs/dbraw/zinc/62/09/83/573620983.db2.gz PANHFWMEVAZQMS-UHFFFAOYSA-N 0 0 177.159 1.081 10 0 ADAERN CC(C)(C)[C@H]1CC[C@@H](C(=O)[O-])C[NH2+]1 107461163 573620986 /nfs/dbraw/zinc/62/09/86/573620986.db2.gz PVJYUINQGVJHDK-HTQZYQBOSA-N 0 0 185.267 1.485 10 0 ADAERN C=CS(=O)(=O)c1ccc(N)c(C)c1 142827155 573620993 /nfs/dbraw/zinc/62/09/93/573620993.db2.gz XHFBLNSSQGNFAV-UHFFFAOYSA-N 0 0 197.259 1.494 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H](C(=O)[O-])CC[NH2+]1 107461291 573620995 /nfs/dbraw/zinc/62/09/95/573620995.db2.gz FWLOHCOVLXTNIA-YUMQZZPRSA-N 0 0 185.267 1.485 10 0 ADAERN CCSc1c(N)n[nH]c1CC 75561543 573621003 /nfs/dbraw/zinc/62/10/03/573621003.db2.gz OTPMZMVESDDRNR-UHFFFAOYSA-N 0 0 171.269 1.666 10 0 ADAERN C[C@@H]1CNC(=O)c2ccccc2N1C 238451923 573621017 /nfs/dbraw/zinc/62/10/17/573621017.db2.gz 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573623092 /nfs/dbraw/zinc/62/30/92/573623092.db2.gz RVJKFGFLNXEYMZ-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@H]1c2ccc(F)cc2N[C@H]1CO 107459771 573623093 /nfs/dbraw/zinc/62/30/93/573623093.db2.gz SLYWEZDUTBYBCA-WKEGUHRASA-N 0 0 181.210 1.716 10 0 ADAERN CC(=O)N[C@H]1CC[C@H]2CC[C@@H]1C2 142803142 573623102 /nfs/dbraw/zinc/62/31/02/573623102.db2.gz PAFGROTZEMUVQS-BBBLOLIVSA-N 0 0 167.252 1.701 10 0 ADAERN CCn1nc(C(C)=O)cc1C1CC1 257834107 573623114 /nfs/dbraw/zinc/62/31/14/573623114.db2.gz KMPNXLDYHVMQIN-UHFFFAOYSA-N 0 0 178.235 1.983 10 0 ADAERN COc1cc(F)ccc1[C@@H](C)CO 257834023 573623143 /nfs/dbraw/zinc/62/31/43/573623143.db2.gz LEDOQFLBKKQRQB-ZETCQYMHSA-N 0 0 184.210 1.930 10 0 ADAERN C[C@H]1NC(=O)C=Cc2ccccc21 142820282 573623148 /nfs/dbraw/zinc/62/31/48/573623148.db2.gz LNNBIIDJXAKUTM-MRVPVSSYSA-N 0 0 173.215 1.891 10 0 ADAERN COC(=O)C[C@@H](C)[C@@H]1CCOC1 259615893 573623150 /nfs/dbraw/zinc/62/31/50/573623150.db2.gz FHPJSOVQLXBJNT-HTQZYQBOSA-N 0 0 172.224 1.222 10 0 ADAERN C[NH2+][C@H](c1cc[nH]c1)C1(C(=O)[O-])CC1 259533164 573623162 /nfs/dbraw/zinc/62/31/62/573623162.db2.gz UTGDNYHWRRWUGY-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN CC(C)(C)[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 107461209 573623205 /nfs/dbraw/zinc/62/32/05/573623205.db2.gz VOWHEFKDZPSHBK-JGVFFNPUSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)[C@@H](O)[C@H](O)c1ccc(F)cc1 142790541 573623206 /nfs/dbraw/zinc/62/32/06/573623206.db2.gz JYLFUNWZTRJWOH-GHMZBOCLSA-N 0 0 198.237 1.876 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]C[C@@H](C2CCC2)C1 107460432 573623212 /nfs/dbraw/zinc/62/32/12/573623212.db2.gz PXDZHOBMBYGOLN-IUCAKERBSA-N 0 0 183.251 1.097 10 0 ADAERN CCO[C@@H](C)C(=O)O[C@H](C)C(F)F 308408707 573623214 /nfs/dbraw/zinc/62/32/14/573623214.db2.gz KTWRMHQVSZHADS-RITPCOANSA-N 0 0 196.193 1.608 10 0 ADAERN C[C@H]1CC[C@]([NH3+])(C(=O)[O-])C[C@H]1C 238452204 573623225 /nfs/dbraw/zinc/62/32/25/573623225.db2.gz YSEBZFGIYMKTQS-LKEWCRSYSA-N 0 0 171.240 1.225 10 0 ADAERN O=Cc1csc(-c2ncon2)c1 75569779 573623227 /nfs/dbraw/zinc/62/32/27/573623227.db2.gz FDOORJNHSFRALL-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN CCc1ccc2c(c1)C[C@@H](CO)N2 107459073 573623249 /nfs/dbraw/zinc/62/32/49/573623249.db2.gz PZXRLUXFKVRLMN-JTQLQIEISA-N 0 0 177.247 1.578 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@H]1CC1CC1 107460455 573623257 /nfs/dbraw/zinc/62/32/57/573623257.db2.gz WFXMMMJAHMGMCH-BDAKNGLRSA-N 0 0 183.251 1.239 10 0 ADAERN OCC[C@@H]1CCc2cc(O)ccc21 257834225 573623259 /nfs/dbraw/zinc/62/32/59/573623259.db2.gz KQIMTEMWKWVMAF-QMMMGPOBSA-N 0 0 178.231 1.804 10 0 ADAERN COc1ccc2c(N)cnnc2c1 259530264 573623269 /nfs/dbraw/zinc/62/32/69/573623269.db2.gz BAVUSAQFRDCYFP-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN CCc1cccc2c1N[C@H](CO)C2 107459077 573623293 /nfs/dbraw/zinc/62/32/93/573623293.db2.gz JMSOWJZJQJBKII-JTQLQIEISA-N 0 0 177.247 1.578 10 0 ADAERN C/C(=C\Cl)CC(N)=O 211963064 573623299 /nfs/dbraw/zinc/62/32/99/573623299.db2.gz FERCSNYXMIIMPF-ONEGZZNKSA-N 0 0 133.578 1.004 10 0 ADAERN CCO[P@@]1(=O)C[C@H](O)C=C1C 148148399 573623326 /nfs/dbraw/zinc/62/33/26/573623326.db2.gz SNFSPYDOWQHFQA-HQJQHLMTSA-N 0 0 176.152 1.579 10 0 ADAERN O=C(CCC(F)(F)F)OC1COC1 308408175 573623331 /nfs/dbraw/zinc/62/33/31/573623331.db2.gz MYEYVNFLXSCKDW-UHFFFAOYSA-N 0 0 198.140 1.271 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]C[C@H](C2CCC2)C1 107460430 573623334 /nfs/dbraw/zinc/62/33/34/573623334.db2.gz PXDZHOBMBYGOLN-BDAKNGLRSA-N 0 0 183.251 1.097 10 0 ADAERN OCCc1noc2ccc(O)cc12 75569000 573623400 /nfs/dbraw/zinc/62/34/00/573623400.db2.gz JAXCHLRTIJHNSO-UHFFFAOYSA-N 0 0 179.175 1.068 10 0 ADAERN C[C@@H]1[NH2+]C[C@@H](C2CC2)C[C@@H]1C(=O)[O-] 107460428 573623403 /nfs/dbraw/zinc/62/34/03/573623403.db2.gz UPHGLLRBYIVDOQ-XVYDVKMFSA-N 0 0 183.251 1.095 10 0 ADAERN C[C@@]([NH3+])(C[Si](C)(C)C)C(=O)[O-] 238451558 573623411 /nfs/dbraw/zinc/62/34/11/573623411.db2.gz ZCUSTQZFLSBKBE-SSDOTTSWSA-N 0 0 175.304 1.127 10 0 ADAERN CC(C)[C@@H](O)[C@@H](O)c1cccc(F)c1 142858333 573623416 /nfs/dbraw/zinc/62/34/16/573623416.db2.gz RYWDNYZQWHKFKI-MNOVXSKESA-N 0 0 198.237 1.876 10 0 ADAERN CC[C@@H]1[NH2+]C[C@@H](C(=O)[O-])C[C@@H]1C 107457885 573623429 /nfs/dbraw/zinc/62/34/29/573623429.db2.gz CEIPFMSCNGIMIR-FXQIFTODSA-N 0 0 171.240 1.095 10 0 ADAERN Cc1ccc(O)c2c1CC[C@@]2(C)O 75568440 573623434 /nfs/dbraw/zinc/62/34/34/573623434.db2.gz YDPHCTUFUKFRAE-LLVKDONJSA-N 0 0 178.231 1.854 10 0 ADAERN C[C@@H]1[C@H]2C=CCC[C@@H]1C2=O 238452100 573623448 /nfs/dbraw/zinc/62/34/48/573623448.db2.gz DIQMOEOBFUTBLH-PRJMDXOYSA-N 0 0 136.194 1.788 10 0 ADAERN Nc1ccc([C@H]2CCOC(=O)N2)cc1 257837977 573623472 /nfs/dbraw/zinc/62/34/72/573623472.db2.gz LFWQOEISIBUJHM-SECBINFHSA-N 0 0 192.218 1.440 10 0 ADAERN O=C1CCC[C@@]12CCCC[C@@H]2O 142844819 573623484 /nfs/dbraw/zinc/62/34/84/573623484.db2.gz JBTRYDNHOPZACS-WCBMZHEXSA-N 0 0 168.236 1.661 10 0 ADAERN C[C@@H](O)CNCc1coc(C2CC2)n1 308643807 573623495 /nfs/dbraw/zinc/62/34/95/573623495.db2.gz GJEDBKDDPVVCMZ-SSDOTTSWSA-N 0 0 196.250 1.022 10 0 ADAERN Nc1cccnc1Cc1ccccn1 107461078 573623498 /nfs/dbraw/zinc/62/34/98/573623498.db2.gz ZAQKUBJKTMLNGJ-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN CCc1cc(N(C)C)cc(=O)o1 142877016 573623509 /nfs/dbraw/zinc/62/35/09/573623509.db2.gz LYCSFIMTFYYEMD-UHFFFAOYSA-N 0 0 167.208 1.268 10 0 ADAERN Cc1oc(C[C@H](C)O)c(C)c(=O)c1C 238452598 573623510 /nfs/dbraw/zinc/62/35/10/573623510.db2.gz HWABOIPMXBSRMM-LURJTMIESA-N 0 0 196.246 1.488 10 0 ADAERN Cc1nc(CC(C)C)c(=O)[nH]c1C 75570203 573623530 /nfs/dbraw/zinc/62/35/30/573623530.db2.gz XOYHKTSPHYSDIH-UHFFFAOYSA-N 0 0 180.251 1.585 10 0 ADAERN C[C@@H]1c2c(F)cccc2N[C@H]1CO 107459776 573623533 /nfs/dbraw/zinc/62/35/33/573623533.db2.gz VUIHCDYVIJKACY-RCOVLWMOSA-N 0 0 181.210 1.716 10 0 ADAERN CC(C)CCC[C@@H](NN)c1cn[nH]c1 308658617 573623536 /nfs/dbraw/zinc/62/35/36/573623536.db2.gz OSLJPHJRXQDKNK-SNVBAGLBSA-N 0 0 196.298 1.740 10 0 ADAERN O=Cc1sccc1-c1ncon1 75569786 573623537 /nfs/dbraw/zinc/62/35/37/573623537.db2.gz SLYGONPPZGIVHR-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN CCn1cc(C[C@H](C)C(=O)OC)cn1 259532136 573623538 /nfs/dbraw/zinc/62/35/38/573623538.db2.gz RPOUFLNHMUUMML-QMMMGPOBSA-N 0 0 196.250 1.255 10 0 ADAERN CC(C)(C)[C@H]1C[C@H](C(=O)[O-])CC[NH2+]1 107461288 573623555 /nfs/dbraw/zinc/62/35/55/573623555.db2.gz FWLOHCOVLXTNIA-HTQZYQBOSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1CCC[C@@H]1CCC(N)=O 238451697 573623559 /nfs/dbraw/zinc/62/35/59/573623559.db2.gz CKMGGQUYXWPIPD-JGVFFNPUSA-N 0 0 155.241 1.688 10 0 ADAERN C[C@H](F)[C@]1(CC(=O)[O-])CCC[NH2+]C1 259530258 573623561 /nfs/dbraw/zinc/62/35/61/573623561.db2.gz BAUSEVOIDBPADB-CBAPKCEASA-N 0 0 189.230 1.189 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@@H](C(=O)[O-])C[NH2+]1 107461161 573623562 /nfs/dbraw/zinc/62/35/62/573623562.db2.gz PVJYUINQGVJHDK-SFYZADRCSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1ccc(O)c2c1CC[C@]2(C)O 75568444 573623574 /nfs/dbraw/zinc/62/35/74/573623574.db2.gz YDPHCTUFUKFRAE-NSHDSACASA-N 0 0 178.231 1.854 10 0 ADAERN C[C@H](O)CC1=CCC=C1 238451831 573623582 /nfs/dbraw/zinc/62/35/82/573623582.db2.gz IVCWZOKLFHLAAG-ZETCQYMHSA-N 0 0 123.175 1.329 10 0 ADAERN C[C@H](O)Cn1c(=N)oc2ccccc21 238452865 573623604 /nfs/dbraw/zinc/62/36/04/573623604.db2.gz FWZWUVNJVKQWIL-ZETCQYMHSA-N 0 0 192.218 1.095 10 0 ADAERN C[C@H](C[C@H]1CC[C@@H](C)C1=O)NO 238451880 573623612 /nfs/dbraw/zinc/62/36/12/573623612.db2.gz HLIWVIVEBQRKMK-BWZBUEFSSA-N 0 0 171.240 1.359 10 0 ADAERN Cc1cnc2[nH]c(C(C)(C)O)nc2c1 86795983 573623634 /nfs/dbraw/zinc/62/36/34/573623634.db2.gz JGFMDKLOZKRWHK-UHFFFAOYSA-N 0 0 191.234 1.494 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[NH+]1CC2(CC2)C1 86799066 573623656 /nfs/dbraw/zinc/62/36/56/573623656.db2.gz GZLFHJUDEWWVII-VIFPVBQESA-N 0 0 183.251 1.336 10 0 ADAERN C[Si](C)(C)c1ccc(C(=O)C=O)o1 238452703 573624102 /nfs/dbraw/zinc/62/41/02/573624102.db2.gz XWINUYBYGNDDKN-UHFFFAOYSA-N 0 0 196.278 1.206 10 0 ADAERN CC[C@@H]1C[C@]1(C)CO 142876585 573623666 /nfs/dbraw/zinc/62/36/66/573623666.db2.gz HWEOUQRUUBUANF-RNFRBKRXSA-N 0 0 114.188 1.415 10 0 ADAERN CC(C)C[C@@H]1CO[C@@H](C(F)(F)F)N1 147922654 573623691 /nfs/dbraw/zinc/62/36/91/573623691.db2.gz IYTIXZWGGKYGOR-RQJHMYQMSA-N 0 0 197.200 1.909 10 0 ADAERN CC[C@@H]1[NH2+]CC[C@@H](C(=O)[O-])[C@H]1C 107457984 573623706 /nfs/dbraw/zinc/62/37/06/573623706.db2.gz NWOROJDRRCDIPA-PRJMDXOYSA-N 0 0 171.240 1.095 10 0 ADAERN Cc1noc([C@](C)(N)C(F)(F)F)n1 86798072 573623716 /nfs/dbraw/zinc/62/37/16/573623716.db2.gz IOBBPPYSMJIFOA-YFKPBYRVSA-N 0 0 195.144 1.114 10 0 ADAERN COC(=O)c1cc(N)c2occc2c1 107462316 573623748 /nfs/dbraw/zinc/62/37/48/573623748.db2.gz SZTOOTFLVNXDHF-UHFFFAOYSA-N 0 0 191.186 1.802 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]C[C@H](C2CCC2)C1 107460435 573623758 /nfs/dbraw/zinc/62/37/58/573623758.db2.gz PXDZHOBMBYGOLN-RKDXNWHRSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@]12COC[C@@H](C1)C(=O)C2 238451956 573624112 /nfs/dbraw/zinc/62/41/12/573624112.db2.gz MBDVEGNSPLRRLX-HTRCEHHLSA-N 0 0 140.182 1.002 10 0 ADAERN CC(=O)c1ncc(C2CCC2)cn1 107458838 573623781 /nfs/dbraw/zinc/62/37/81/573623781.db2.gz ANGXOFODVBZQHR-UHFFFAOYSA-N 0 0 176.219 1.947 10 0 ADAERN CCC(CO)=C(C)C 142898398 573623793 /nfs/dbraw/zinc/62/37/93/573623793.db2.gz PNUWSDQFUHDNOS-UHFFFAOYSA-N 0 0 114.188 1.725 10 0 ADAERN CC[C@@](C)([NH3+])c1nc(C(C)C)no1 86798056 573623799 /nfs/dbraw/zinc/62/37/99/573623799.db2.gz IOPOURRFHSPKIH-SECBINFHSA-N 0 0 183.255 1.777 10 0 ADAERN O=C1Nc2c(F)cccc2C2(CC2)N1 259533182 573623813 /nfs/dbraw/zinc/62/38/13/573623813.db2.gz BFOCSLJOQMNDTC-UHFFFAOYSA-N 0 0 192.193 1.950 10 0 ADAERN CC[C@@]1(C)NC(=O)N(C(C)(C)C)C1=O 86799014 573623815 /nfs/dbraw/zinc/62/38/15/573623815.db2.gz MVHGSZGILJOSPM-SNVBAGLBSA-N 0 0 198.266 1.505 10 0 ADAERN CCc1cccc2c1N[C@@H](CO)C2 107459081 573623820 /nfs/dbraw/zinc/62/38/20/573623820.db2.gz JMSOWJZJQJBKII-SNVBAGLBSA-N 0 0 177.247 1.578 10 0 ADAERN COc1ccc([C@@H]2CCCO2)nn1 259532186 573623844 /nfs/dbraw/zinc/62/38/44/573623844.db2.gz UIJCZORWCNJTSL-QMMMGPOBSA-N 0 0 180.207 1.337 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+][C@H](C2CCC2)C1 107460495 573623861 /nfs/dbraw/zinc/62/38/61/573623861.db2.gz FUSVJJVCOARQHJ-IUCAKERBSA-N 0 0 183.251 1.239 10 0 ADAERN Oc1ccc2c(c1)nc1n2CCOC1 257837958 573623865 /nfs/dbraw/zinc/62/38/65/573623865.db2.gz LFKPOBBQKAHASO-UHFFFAOYSA-N 0 0 190.202 1.272 10 0 ADAERN Nc1ccc2c(c1)OC[C@H]1CCCN21 142827460 573624116 /nfs/dbraw/zinc/62/41/16/573624116.db2.gz FSXGCOVMYLFBLH-SECBINFHSA-N 0 0 190.246 1.630 10 0 ADAERN C[C@H](O)[C@@H](O)c1cccc(F)c1 142873851 573623871 /nfs/dbraw/zinc/62/38/71/573623871.db2.gz DNJDWQHYTHRVAX-IMTBSYHQSA-N 0 0 170.183 1.240 10 0 ADAERN C[C@@H]1CNC(=O)N(C2CCCCC2)C1 238451704 573623872 /nfs/dbraw/zinc/62/38/72/573623872.db2.gz WCQNECBYMBTWNN-SECBINFHSA-N 0 0 196.294 1.980 10 0 ADAERN CC[C@](C)([NH3+])c1nnc(C2CC2)[nH]1 86800231 573623882 /nfs/dbraw/zinc/62/38/82/573623882.db2.gz LMNQTYXWUADBPC-VIFPVBQESA-N 0 0 180.255 1.266 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1[C@@H]1CC[NH2+]1 238451840 573623894 /nfs/dbraw/zinc/62/38/94/573623894.db2.gz NBJNRVBHZIJYPB-JTQLQIEISA-N 0 0 191.230 1.728 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1/C=C/CO 238451464 573623915 /nfs/dbraw/zinc/62/39/15/573623915.db2.gz IIEWEKRLXJEIGP-HZIBQTDNSA-N 0 0 154.209 1.150 10 0 ADAERN CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 107461216 573623921 /nfs/dbraw/zinc/62/39/21/573623921.db2.gz VOWHEFKDZPSHBK-SFYZADRCSA-N 0 0 185.267 1.343 10 0 ADAERN CCC(CC)CN1C[C@H](CO)CC1=O 130542355 573623926 /nfs/dbraw/zinc/62/39/26/573623926.db2.gz SMVQRRNNCFCEMF-SNVBAGLBSA-N 0 0 199.294 1.263 10 0 ADAERN C[C@@H]1c2ccccc2C(=O)[C@@]1(C)O 238451771 573623951 /nfs/dbraw/zinc/62/39/51/573623951.db2.gz OGWNJXITGLESTK-HQJQHLMTSA-N 0 0 176.215 1.737 10 0 ADAERN C[C@@H]1c2ccc(F)cc2N[C@H]1CO 107459769 573623960 /nfs/dbraw/zinc/62/39/60/573623960.db2.gz SLYWEZDUTBYBCA-LDWIPMOCSA-N 0 0 181.210 1.716 10 0 ADAERN C[C@H]1[NH2+][C@@H](C(=O)[O-])Cc2ccccc21 142812513 573623963 /nfs/dbraw/zinc/62/39/63/573623963.db2.gz HLZSLBLFYBLKTL-GMSGAONNSA-N 0 0 191.230 1.347 10 0 ADAERN CC(C)[C@@H](O)[C@H](O)c1cccc(F)c1 142858117 573623986 /nfs/dbraw/zinc/62/39/86/573623986.db2.gz RYWDNYZQWHKFKI-GHMZBOCLSA-N 0 0 198.237 1.876 10 0 ADAERN C[C@H](O)Cc1cccc2c1NCCC2 238452774 573624000 /nfs/dbraw/zinc/62/40/00/573624000.db2.gz IRGQOFJSGBWASX-VIFPVBQESA-N 0 0 191.274 1.968 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@@H]1C1CCC1 107460337 573624005 /nfs/dbraw/zinc/62/40/05/573624005.db2.gz JWMAFZMMDLIJDY-RKDXNWHRSA-N 0 0 183.251 1.097 10 0 ADAERN CC[C@@](C)([NH3+])c1nc2cccnc2[nH]1 86797375 573624007 /nfs/dbraw/zinc/62/40/07/573624007.db2.gz NCKJMWMJABIXFQ-SNVBAGLBSA-N 0 0 190.250 1.542 10 0 ADAERN COC(=O)C[C@H](C)[C@@H]1CCOC1 259615900 573624008 /nfs/dbraw/zinc/62/40/08/573624008.db2.gz FHPJSOVQLXBJNT-JGVFFNPUSA-N 0 0 172.224 1.222 10 0 ADAERN CCC(C)=C=CCO 142803955 573624058 /nfs/dbraw/zinc/62/40/58/573624058.db2.gz XYIRVQHQRGJWDI-UHFFFAOYSA-N 0 0 112.172 1.490 10 0 ADAERN Cc1nc(C=O)c2c(n1)CCC2 82404874 573624061 /nfs/dbraw/zinc/62/40/61/573624061.db2.gz FKPKOBKZKNULNV-UHFFFAOYSA-N 0 0 162.192 1.086 10 0 ADAERN OCCC[C@H]1CCCOCC1 82405634 573624073 /nfs/dbraw/zinc/62/40/73/573624073.db2.gz ISUODAXHARBSMB-VIFPVBQESA-N 0 0 158.241 1.576 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@H]1OCCC[C@@H]1CO 714720153 573624594 /nfs/dbraw/zinc/62/45/94/573624594.db2.gz KNQGBMGSJRZMMU-ZNSHCXBVSA-N 0 0 184.279 1.820 10 0 ADAERN CC[C@@](C)(Nc1[nH+]ccn1C)C(=O)[O-] 86797205 573625149 /nfs/dbraw/zinc/62/51/49/573625149.db2.gz YDXPROZWRIUORQ-SECBINFHSA-N 0 0 197.238 1.085 10 0 ADAERN CC[C@@](C)(Nc1cc[nH+]cc1)C(=O)[O-] 86797230 573624387 /nfs/dbraw/zinc/62/43/87/573624387.db2.gz VLLZHVODOBFULE-SNVBAGLBSA-N 0 0 194.234 1.747 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@H]1OCCC[C@H]1CO 714720151 573624300 /nfs/dbraw/zinc/62/43/00/573624300.db2.gz KNQGBMGSJRZMMU-RCWTZXSCSA-N 0 0 184.279 1.820 10 0 ADAERN CCOCc1nc2cc(C)cnc2[nH]1 86796048 573624301 /nfs/dbraw/zinc/62/43/01/573624301.db2.gz LPRDNSQANKYKDP-UHFFFAOYSA-N 0 0 191.234 1.803 10 0 ADAERN Cc1ncoc1-c1ccc(N)nc1 142821913 573624312 /nfs/dbraw/zinc/62/43/12/573624312.db2.gz UHRKQAKNXUFNDB-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC(C)[C@@H]1[NH2+]C[C@@H](C)C[C@H]1C(=O)[O-] 107461226 573624313 /nfs/dbraw/zinc/62/43/13/573624313.db2.gz IVYIHMRGCXTLJU-YIZRAAEISA-N 0 0 185.267 1.341 10 0 ADAERN C[C@@]12CO[C@]3(C1)C(=O)CCC[C@H]32 238452292 573624349 /nfs/dbraw/zinc/62/43/49/573624349.db2.gz KPDVMPOOVOTBKT-HGNGGELXSA-N 0 0 166.220 1.535 10 0 ADAERN [NH3+]Cc1nc(Cl)c2c(O)cccn12 258504551 573624359 /nfs/dbraw/zinc/62/43/59/573624359.db2.gz KKNIWYPICCEZEL-UHFFFAOYSA-N 0 0 197.625 1.152 10 0 ADAERN CCOCn1nccc1C 83756571 573624380 /nfs/dbraw/zinc/62/43/80/573624380.db2.gz TXJZWPDVCNNODB-UHFFFAOYSA-N 0 0 140.186 1.186 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](C2CCC2)[NH2+]C1 107460373 573624404 /nfs/dbraw/zinc/62/44/04/573624404.db2.gz XHPTYPXGSYHAEG-RKDXNWHRSA-N 0 0 183.251 1.239 10 0 ADAERN Nc1cccnc1Cc1ccncc1 107461076 573624431 /nfs/dbraw/zinc/62/44/31/573624431.db2.gz BFXJTZDLKBGUMS-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN C[C@H](O)c1cc2ccncc2[nH]1 142857299 573624451 /nfs/dbraw/zinc/62/44/51/573624451.db2.gz PXFRKXIQWLBXMA-LURJTMIESA-N 0 0 162.192 1.616 10 0 ADAERN CC[C@](C)(C(=O)[O-])[NH+]1CC(C)C1 86799041 573624509 /nfs/dbraw/zinc/62/45/09/573624509.db2.gz OFEIILCISLAVLE-SECBINFHSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H](O)[C@H](O)c1ccc(F)cc1 142789706 573624519 /nfs/dbraw/zinc/62/45/19/573624519.db2.gz LZRDVYWKYXGDNE-MUWHJKNJSA-N 0 0 170.183 1.240 10 0 ADAERN CC[C@@H]1[NH2+]CC[C@@H](C(=O)[O-])[C@@H]1C 107457989 573624532 /nfs/dbraw/zinc/62/45/32/573624532.db2.gz NWOROJDRRCDIPA-RNJXMRFFSA-N 0 0 171.240 1.095 10 0 ADAERN CO[C@H]1CNc2ccc(F)cc2C1 257834195 573624541 /nfs/dbraw/zinc/62/45/41/573624541.db2.gz KPZQQBWAOJECCB-SECBINFHSA-N 0 0 181.210 1.809 10 0 ADAERN CC(C)[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1C(=O)[O-] 107461222 573624560 /nfs/dbraw/zinc/62/45/60/573624560.db2.gz IVYIHMRGCXTLJU-CIUDSAMLSA-N 0 0 185.267 1.341 10 0 ADAERN C[C@@H]1[NH2+]C[C@@H](C2CC2)C[C@H]1C(=O)[O-] 107460422 573624567 /nfs/dbraw/zinc/62/45/67/573624567.db2.gz UPHGLLRBYIVDOQ-CNUIFLNQSA-N 0 0 183.251 1.095 10 0 ADAERN COc1cccc2c1N[C@H](CO)C2 107459398 573624576 /nfs/dbraw/zinc/62/45/76/573624576.db2.gz YYWKYCOSKBIXOH-QMMMGPOBSA-N 0 0 179.219 1.024 10 0 ADAERN CC(=O)Nc1ccnc([C@@H](C)O)c1 142829014 573624583 /nfs/dbraw/zinc/62/45/83/573624583.db2.gz PHKDPGRDCIAAGO-ZCFIWIBFSA-N 0 0 180.207 1.093 10 0 ADAERN CC[C@H](C(=O)OC)c1ncccn1 259131915 573624590 /nfs/dbraw/zinc/62/45/90/573624590.db2.gz HXCYGIBVPITRPO-ZETCQYMHSA-N 0 0 180.207 1.143 10 0 ADAERN C[C@@H](F)[C@@]1(CC(=O)[O-])CCC[NH2+]C1 259530261 573624607 /nfs/dbraw/zinc/62/46/07/573624607.db2.gz BAUSEVOIDBPADB-VXNVDRBHSA-N 0 0 189.230 1.189 10 0 ADAERN CCOc1cc(C(C)=O)ccc1O 75569860 573624614 /nfs/dbraw/zinc/62/46/14/573624614.db2.gz BNMHCCDWXGBFGJ-UHFFFAOYSA-N 0 0 180.203 1.994 10 0 ADAERN COc1cccc2c1C[C@@](C)(O)CN2 257837938 573624630 /nfs/dbraw/zinc/62/46/30/573624630.db2.gz LEKQXNRFNRDOPF-LLVKDONJSA-N 0 0 193.246 1.414 10 0 ADAERN Nc1cccc([C@]2(O)CCSC2)c1 257834189 573624634 /nfs/dbraw/zinc/62/46/34/573624634.db2.gz KJCYYROCDNHFGB-JTQLQIEISA-N 0 0 195.287 1.593 10 0 ADAERN CC(=O)c1nc2cc(C)c[nH]c-2n1 86796152 573624662 /nfs/dbraw/zinc/62/46/62/573624662.db2.gz NMZILJBDHBLRDR-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN COc1cc(F)ccc1[C@H](C)CO 257834022 573624707 /nfs/dbraw/zinc/62/47/07/573624707.db2.gz LEDOQFLBKKQRQB-SSDOTTSWSA-N 0 0 184.210 1.930 10 0 ADAERN COC[C@@]1(O)CCc2ccc(F)cc21 257834187 573624712 /nfs/dbraw/zinc/62/47/12/573624712.db2.gz KJBJXHUXBSMYBA-NSHDSACASA-N 0 0 196.221 1.606 10 0 ADAERN O=C1C[C@]2(CN1)C[C@@H]1CCC[C@@H]12 142869368 573624728 /nfs/dbraw/zinc/62/47/28/573624728.db2.gz IUIRCCVULRNBBK-NRPADANISA-N 0 0 165.236 1.313 10 0 ADAERN Cn1c(=O)[nH]c2cccc(C3CC3)c21 142797946 573624757 /nfs/dbraw/zinc/62/47/57/573624757.db2.gz DEXAYDZKOJPBKS-UHFFFAOYSA-N 0 0 188.230 1.744 10 0 ADAERN COCCCCn1ccc(=O)c(C)c1 308644884 573624758 /nfs/dbraw/zinc/62/47/58/573624758.db2.gz GNAPTMWLJQYSCZ-UHFFFAOYSA-N 0 0 195.262 1.583 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H](C)CC1CC1 235069375 573625181 /nfs/dbraw/zinc/62/51/81/573625181.db2.gz LDNRRTMHDKHGPD-QRJSTWQJSA-N 0 0 197.278 1.796 10 0 ADAERN O=Cc1c[nH]nc1-c1cc[nH]c1 82405175 573624766 /nfs/dbraw/zinc/62/47/66/573624766.db2.gz NTRXOYWCOOULAZ-UHFFFAOYSA-N 0 0 161.164 1.217 10 0 ADAERN COc1cc2c(C)nn(C)c2cc1N 259532301 573624848 /nfs/dbraw/zinc/62/48/48/573624848.db2.gz RSSDZBRQTOSTIR-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN C[NH2+][C@@H](c1cc[nH]c1)C1(C(=O)[O-])CC1 259533165 573625185 /nfs/dbraw/zinc/62/51/85/573625185.db2.gz UTGDNYHWRRWUGY-QMMMGPOBSA-N 0 0 194.234 1.140 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H](C(=O)[O-])CC[NH2+]1 107461294 573624869 /nfs/dbraw/zinc/62/48/69/573624869.db2.gz FWLOHCOVLXTNIA-JGVFFNPUSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1[C@H]1CC[NH2+]1 238451977 573624876 /nfs/dbraw/zinc/62/48/76/573624876.db2.gz NBJNRVBHZIJYPB-SNVBAGLBSA-N 0 0 191.230 1.728 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](C2CCC2)[NH2+]C1 107460367 573624880 /nfs/dbraw/zinc/62/48/80/573624880.db2.gz XHPTYPXGSYHAEG-IUCAKERBSA-N 0 0 183.251 1.239 10 0 ADAERN CCCNCc1nnc(COCC)o1 50615827 573624884 /nfs/dbraw/zinc/62/48/84/573624884.db2.gz YUPZDJICXGBRAT-UHFFFAOYSA-N 0 0 199.254 1.106 10 0 ADAERN CC[C@H](CC(C)(C)C(=O)[O-])[NH2+]C 259131929 573624888 /nfs/dbraw/zinc/62/48/88/573624888.db2.gz BRWUGJFQQIZLRC-SSDOTTSWSA-N 0 0 173.256 1.485 10 0 ADAERN O=C1[C@@H](F)[C@H]2CC[C@@H]1C2 142824709 573624897 /nfs/dbraw/zinc/62/48/97/573624897.db2.gz CNBYZOCKNXXQIM-JKUQZMGJSA-N 0 0 128.146 1.324 10 0 ADAERN CC[C@](C)([NH3+])c1nc([C@@H]2C[C@@H]2C)no1 86798288 573624926 /nfs/dbraw/zinc/62/49/26/573624926.db2.gz JSSZRPAYAMQPEM-PJKMHFRUSA-N 0 0 195.266 1.777 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H]2CC[C@@H]1C2 142802925 573624941 /nfs/dbraw/zinc/62/49/41/573624941.db2.gz PAFGROTZEMUVQS-OPRDCNLKSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@]1(C)Nc2ncccc2NC1=O 86800558 573624945 /nfs/dbraw/zinc/62/49/45/573624945.db2.gz ZDOZUOPSJVUFHH-JTQLQIEISA-N 0 0 191.234 1.614 10 0 ADAERN Cn1ncc2cc(Cl)c(N)cc21 259532267 573624948 /nfs/dbraw/zinc/62/49/48/573624948.db2.gz RRVCCYNBTOQXHD-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN C[C@H]1c2c(F)cccc2N[C@H]1CO 107459778 573624957 /nfs/dbraw/zinc/62/49/57/573624957.db2.gz VUIHCDYVIJKACY-MUWHJKNJSA-N 0 0 181.210 1.716 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@H](C)[C@H](C(=O)[O-])C1 107461229 573624991 /nfs/dbraw/zinc/62/49/91/573624991.db2.gz PYZSBYKWZFALIA-HRDYMLBCSA-N 0 0 185.267 1.341 10 0 ADAERN Cc1ccc2c(c1)cc1n2C[C@H](O)C1 259533199 573624997 /nfs/dbraw/zinc/62/49/97/573624997.db2.gz BFPSCHKWHITCQU-LLVKDONJSA-N 0 0 187.242 1.867 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCC[C@@H]1C(=O)[O-] 107457947 573625020 /nfs/dbraw/zinc/62/50/20/573625020.db2.gz MOJJROVZIMNMAR-YUMQZZPRSA-N 0 0 171.240 1.095 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@@H](C)[C@@H](C(=O)[O-])C1 107461236 573625033 /nfs/dbraw/zinc/62/50/33/573625033.db2.gz PYZSBYKWZFALIA-CIUDSAMLSA-N 0 0 185.267 1.341 10 0 ADAERN CCC(CC)CN1C[C@@H](O)CC1=O 130541258 573625038 /nfs/dbraw/zinc/62/50/38/573625038.db2.gz YPVZRQQWXVNLIQ-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN C[C@@H]1c2c(F)cccc2N[C@@H]1CO 107459773 573625040 /nfs/dbraw/zinc/62/50/40/573625040.db2.gz VUIHCDYVIJKACY-IMTBSYHQSA-N 0 0 181.210 1.716 10 0 ADAERN CC[C@](C)([NH3+])c1nc(C(C)(C)C)no1 86798089 573625056 /nfs/dbraw/zinc/62/50/56/573625056.db2.gz BWWHQWPYADCOIC-JTQLQIEISA-N 0 0 197.282 1.951 10 0 ADAERN OC[C@H]1Cc2ccc(Cl)cc2N1 107460659 573625105 /nfs/dbraw/zinc/62/51/05/573625105.db2.gz ADDZRVCKVFWSOB-MRVPVSSYSA-N 0 0 183.638 1.669 10 0 ADAERN COc1cccc2c1C[C@@H](CO)N2 107459391 573625112 /nfs/dbraw/zinc/62/51/12/573625112.db2.gz FXMHXEXGMCPRPQ-ZETCQYMHSA-N 0 0 179.219 1.024 10 0 ADAERN C/C=C/C(=O)NCCCn1cccc1 308658741 573625115 /nfs/dbraw/zinc/62/51/15/573625115.db2.gz PDEFUUCEXRSBLA-QHHAFSJGSA-N 0 0 192.262 1.571 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@@H]1C1CCCC1 107464515 573626443 /nfs/dbraw/zinc/62/64/43/573626443.db2.gz JGJQOCPQQWUORC-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN CC[C@@]1(C)Nc2ncccc2NC1=O 86800557 573626453 /nfs/dbraw/zinc/62/64/53/573626453.db2.gz ZDOZUOPSJVUFHH-SNVBAGLBSA-N 0 0 191.234 1.614 10 0 ADAERN O[C@@H]1COC[C@@H]1c1ccsc1 687963806 573626466 /nfs/dbraw/zinc/62/64/66/573626466.db2.gz BPISYWATIVIWLB-HTQZYQBOSA-N 0 0 170.233 1.223 10 0 ADAERN C[C@H]1C=CC(C)(C)[C@@H](O)C1 238454407 573625956 /nfs/dbraw/zinc/62/59/56/573625956.db2.gz RFRMQBHXNGQGGS-YUMQZZPRSA-N 0 0 140.226 1.970 10 0 ADAERN Cc1cccc2c(CO)cnn12 238453879 573625963 /nfs/dbraw/zinc/62/59/63/573625963.db2.gz ULUPMYHDNHPLQD-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN CON[C@@H](C)c1cccnc1 96544131 573625969 /nfs/dbraw/zinc/62/59/69/573625969.db2.gz IOQDYECBBOOHOU-ZETCQYMHSA-N 0 0 152.197 1.294 10 0 ADAERN C[C@H]1CC[Si](C)(C)[C@H]1O 238454185 573625981 /nfs/dbraw/zinc/62/59/81/573625981.db2.gz HJAYDCKDQPEPSF-NKWVEPMBSA-N 0 0 144.290 1.635 10 0 ADAERN Cn1ccnc1-c1ccc(O)cc1F 96551238 573625984 /nfs/dbraw/zinc/62/59/84/573625984.db2.gz ALFHSYQBGMKCKQ-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](c2ccco2)[NH2+]C1 107463545 573626004 /nfs/dbraw/zinc/62/60/04/573626004.db2.gz XGGJHPWNMLZJDU-YUMQZZPRSA-N 0 0 195.218 1.405 10 0 ADAERN CCC[C@H](O)C[C@@H]1CCCC(=O)N1 215301585 573626012 /nfs/dbraw/zinc/62/60/12/573626012.db2.gz NSGLLYJNQSOQLM-IUCAKERBSA-N 0 0 185.267 1.206 10 0 ADAERN C[C@H](CO)C(=O)c1ccccc1O 75569806 573626014 /nfs/dbraw/zinc/62/60/14/573626014.db2.gz QXAYMBAVBAFAFC-SSDOTTSWSA-N 0 0 180.203 1.203 10 0 ADAERN CN(C#N)c1ccc(C2CCC2)nn1 259132208 573626015 /nfs/dbraw/zinc/62/60/15/573626015.db2.gz CQYWKRREKBSSSM-UHFFFAOYSA-N 0 0 188.234 1.661 10 0 ADAERN CC(=O)[C@@H]1CCC(=O)[C@@H]1C 238453163 573626018 /nfs/dbraw/zinc/62/60/18/573626018.db2.gz ZNFIRHKRRAMUQA-IYSWYEEDSA-N 0 0 140.182 1.191 10 0 ADAERN CC(C)(O)/C=C/c1ccc(C=O)o1 75569919 573626033 /nfs/dbraw/zinc/62/60/33/573626033.db2.gz DEUOSKOXGUXKOX-AATRIKPKSA-N 0 0 180.203 1.876 10 0 ADAERN Cc1cnc2[nH]c([C@H](C)O)nc2c1 86796026 573626045 /nfs/dbraw/zinc/62/60/45/573626045.db2.gz DSRYCSJXABLRND-LURJTMIESA-N 0 0 177.207 1.320 10 0 ADAERN C[C@]12C=C[C@H](CCC1=O)C2 238453282 573626065 /nfs/dbraw/zinc/62/60/65/573626065.db2.gz WUHFLISGOUGASY-IONNQARKSA-N 0 0 136.194 1.932 10 0 ADAERN CCC[C@@H]([NH3+])[C@@H](C)CC(=O)[O-] 259534765 573626067 /nfs/dbraw/zinc/62/60/67/573626067.db2.gz WQNAZXFDYCWZON-NKWVEPMBSA-N 0 0 159.229 1.225 10 0 ADAERN Cc1cc(N)ccc1[C@H]1CCC(=O)N1 238453380 573626086 /nfs/dbraw/zinc/62/60/86/573626086.db2.gz PLBQXHYZISEVDD-SNVBAGLBSA-N 0 0 190.246 1.528 10 0 ADAERN Cc1cccc2c(N)cnn12 238454377 573626098 /nfs/dbraw/zinc/62/60/98/573626098.db2.gz PHNVEHWJNZCOCA-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN C[C@@H](NC[C@H]1CCCO1)c1ccon1 308649951 573626105 /nfs/dbraw/zinc/62/61/05/573626105.db2.gz JSEADRVGZZNHLP-RKDXNWHRSA-N 0 0 196.250 1.504 10 0 ADAERN Cc1nc2c(N)ccc(N)c2s1 75569467 573626106 /nfs/dbraw/zinc/62/61/06/573626106.db2.gz NKBXEDPNXLZIPL-UHFFFAOYSA-N 0 0 179.248 1.769 10 0 ADAERN C[C@@H]1[NH2+]C[C@@H](C2CCC2)C[C@H]1C(=O)[O-] 107464494 573626111 /nfs/dbraw/zinc/62/61/11/573626111.db2.gz SPBYXGWLJUQVHB-UJNFCWOMSA-N 0 0 197.278 1.485 10 0 ADAERN CC(=O)C[C@@H](C)SC(C)=O 238454394 573626137 /nfs/dbraw/zinc/62/61/37/573626137.db2.gz GCNYBUXZYSTHBG-ZCFIWIBFSA-N 0 0 160.238 1.634 10 0 ADAERN CC[C@](C)(Nc1[nH+]ccn1C)C(=O)[O-] 86797204 573626150 /nfs/dbraw/zinc/62/61/50/573626150.db2.gz YDXPROZWRIUORQ-VIFPVBQESA-N 0 0 197.238 1.085 10 0 ADAERN CC(C)(C)[C@@]1(C)CCOC(=O)N1 257834126 573626152 /nfs/dbraw/zinc/62/61/52/573626152.db2.gz KNLVAIGHCXHLQC-SECBINFHSA-N 0 0 171.240 1.921 10 0 ADAERN Cn1ncc(Cl)c1F 257837890 573626160 /nfs/dbraw/zinc/62/61/60/573626160.db2.gz MTYDWCOJOCPEOK-UHFFFAOYSA-N 0 0 134.541 1.213 10 0 ADAERN CCCc1[nH+]cc2n1C[C@H](CO)CC2 258412500 573626163 /nfs/dbraw/zinc/62/61/63/573626163.db2.gz VMYOQWMEEBNRMN-SECBINFHSA-N 0 0 194.278 1.390 10 0 ADAERN Cc1cc(C)cc([C@](C)([NH3+])C(=O)[O-])c1 96554522 573626167 /nfs/dbraw/zinc/62/61/67/573626167.db2.gz HMMHRLOHVDUHBK-NSHDSACASA-N 0 0 193.246 1.562 10 0 ADAERN C[C@@H]1C[C@H](O)C(C)(C)OC1(C)C 238454441 573626172 /nfs/dbraw/zinc/62/61/72/573626172.db2.gz JZRSCXZJNSEVRU-SFYZADRCSA-N 0 0 172.268 1.961 10 0 ADAERN CCOC(=O)[C@H](CC)OC(=O)CC 308408623 573626182 /nfs/dbraw/zinc/62/61/82/573626182.db2.gz KSAGLJOSXZUCRX-ZETCQYMHSA-N 0 0 188.223 1.281 10 0 ADAERN CC(C)([NH3+])c1cc([O-])ccc1C=O 258072618 573626184 /nfs/dbraw/zinc/62/61/84/573626184.db2.gz USWUKLAIPWDCAB-UHFFFAOYSA-N 0 0 179.219 1.399 10 0 ADAERN CCC(CC)[C@@H]1CC[N@H+](CC(=O)[O-])C1 308650503 573626201 /nfs/dbraw/zinc/62/62/01/573626201.db2.gz KDSFUBOHGQSURP-SNVBAGLBSA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)[C@H](CO)c1cc[nH]c1 259133121 573626202 /nfs/dbraw/zinc/62/62/02/573626202.db2.gz HADSIBYRZGQKHR-VIFPVBQESA-N 0 0 153.225 1.747 10 0 ADAERN CC(=O)[C@]1(C)CCC[C@H](C)C1=O 238453979 573626211 /nfs/dbraw/zinc/62/62/11/573626211.db2.gz WCDVFMNTMQTMJG-XVKPBYJWSA-N 0 0 168.236 1.971 10 0 ADAERN COC[C@@H]1COc2ccc(O)cc2C1 257837910 573626217 /nfs/dbraw/zinc/62/62/17/573626217.db2.gz LDAMKNVGRKPVOP-MRVPVSSYSA-N 0 0 194.230 1.590 10 0 ADAERN O=C1CSC=CN1C1CCOCC1 96540536 573626242 /nfs/dbraw/zinc/62/62/42/573626242.db2.gz CIUZDZOEDAWSRP-UHFFFAOYSA-N 0 0 199.275 1.212 10 0 ADAERN C[C@H]1CC(=O)NC[C@H]1c1ccccc1 238454136 573626261 /nfs/dbraw/zinc/62/62/61/573626261.db2.gz KXCZSCYEHCAGPE-GXSJLCMTSA-N 0 0 189.258 1.926 10 0 ADAERN C/C=C\CC[C@@]1(O)C[C@@H](O)CCO1 393543581 573626277 /nfs/dbraw/zinc/62/62/77/573626277.db2.gz PGFGQZTWEGYCRM-ADLDAWLNSA-N 0 0 186.251 1.203 10 0 ADAERN Nc1ccc([C@@H]2CCOC(=O)N2)cc1 257837978 573626288 /nfs/dbraw/zinc/62/62/88/573626288.db2.gz LFWQOEISIBUJHM-VIFPVBQESA-N 0 0 192.218 1.440 10 0 ADAERN CCO[C@H](C)C(=O)O[C@@H](C)C(F)F 308408705 573626428 /nfs/dbraw/zinc/62/64/28/573626428.db2.gz KTWRMHQVSZHADS-NTSWFWBYSA-N 0 0 196.193 1.608 10 0 ADAERN CC[C@@](C)([NH3+])c1nc(C2CC2)no1 86798083 573626337 /nfs/dbraw/zinc/62/63/37/573626337.db2.gz IZDPFCWVYNXTJU-SECBINFHSA-N 0 0 181.239 1.531 10 0 ADAERN Cc1cnc([C@@H]2C[C@@H](CO)CCN2)o1 107463883 573626348 /nfs/dbraw/zinc/62/63/48/573626348.db2.gz GFMWDLMNKVUPCR-IUCAKERBSA-N 0 0 196.250 1.016 10 0 ADAERN C/C=C\COc1ncc(F)cc1CO 308408390 573626376 /nfs/dbraw/zinc/62/63/76/573626376.db2.gz XJOFSHGEPXRFFZ-IHWYPQMZSA-N 0 0 197.209 1.668 10 0 ADAERN Cn1cc(C2CCC2)c(C=O)n1 257834026 573626390 /nfs/dbraw/zinc/62/63/90/573626390.db2.gz LEFNOSRWTVSWDT-UHFFFAOYSA-N 0 0 164.208 1.500 10 0 ADAERN C[C@]1(Br)CCC[C@@H]1O 238453168 573626405 /nfs/dbraw/zinc/62/64/05/573626405.db2.gz BBUXUOKBNZFAFV-WDSKDSINSA-N 0 0 179.057 1.685 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C(C2CCC2)C1 257834203 573626407 /nfs/dbraw/zinc/62/64/07/573626407.db2.gz KJKUABFPCJMZFC-UHFFFAOYSA-N 0 0 195.262 1.503 10 0 ADAERN Cc1cc(=O)oc2[nH]c(=S)ccc12 238453021 573626473 /nfs/dbraw/zinc/62/64/73/573626473.db2.gz SZLIDBXGMQUZSU-UHFFFAOYSA-N 0 0 193.227 1.785 10 0 ADAERN C[C@H]1c2ccccc2C[C@H]1C(N)=O 238453524 573626482 /nfs/dbraw/zinc/62/64/82/573626482.db2.gz PIYACFNOUBCPMY-OIBJUYFYSA-N 0 0 175.231 1.448 10 0 ADAERN CCC(CC)CN1C[C@H](O)CC1=O 130541035 573626499 /nfs/dbraw/zinc/62/64/99/573626499.db2.gz YPVZRQQWXVNLIQ-SECBINFHSA-N 0 0 185.267 1.016 10 0 ADAERN C[Si](C)(C)c1cccc(CO)c1O 238453424 573626507 /nfs/dbraw/zinc/62/65/07/573626507.db2.gz BVTKOIOKHYTYKL-UHFFFAOYSA-N 0 0 196.322 1.430 10 0 ADAERN COC(=O)[C@H](F)[C@H]1CCCSC1 257834169 573626526 /nfs/dbraw/zinc/62/65/26/573626526.db2.gz KILQZQIBKBHDNW-NKWVEPMBSA-N 0 0 192.255 1.641 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](c2ccco2)[NH2+]C1 107463551 573626532 /nfs/dbraw/zinc/62/65/32/573626532.db2.gz XGGJHPWNMLZJDU-SFYZADRCSA-N 0 0 195.218 1.405 10 0 ADAERN CC(C)[C@H]([C@H]1C[C@H]1C(=O)[O-])[NH+](C)C 259534157 573626542 /nfs/dbraw/zinc/62/65/42/573626542.db2.gz NKDQJWJQQDNYEL-DJLDLDEBSA-N 0 0 185.267 1.293 10 0 ADAERN CC[C@](C)([NH3+])c1nc2cc[nH]cc-2n1 86797388 573626543 /nfs/dbraw/zinc/62/65/43/573626543.db2.gz YQEQRPGIRYGFKF-JTQLQIEISA-N 0 0 190.250 1.542 10 0 ADAERN COC[C@]1(O)CCc2ccc(F)cc21 257834184 573626552 /nfs/dbraw/zinc/62/65/52/573626552.db2.gz KJBJXHUXBSMYBA-LLVKDONJSA-N 0 0 196.221 1.606 10 0 ADAERN CC(=O)c1cccc2[nH]n(C)c(=O)c12 257834182 573626558 /nfs/dbraw/zinc/62/65/58/573626558.db2.gz KIVKELGBOAHKOP-UHFFFAOYSA-N 0 0 190.202 1.069 10 0 ADAERN CC[C@H](O)C(=O)CCCCF 393543283 573626586 /nfs/dbraw/zinc/62/65/86/573626586.db2.gz OHGPWJILYFNCSJ-ZETCQYMHSA-N 0 0 162.204 1.466 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[NH+]1CC2(CCC2)C1 86799081 573626591 /nfs/dbraw/zinc/62/65/91/573626591.db2.gz WRBAOOFRXLYWDJ-JTQLQIEISA-N 0 0 197.278 1.726 10 0 ADAERN Cc1ccc(N(C)C(N)=O)c(N)c1 75569396 573626593 /nfs/dbraw/zinc/62/65/93/573626593.db2.gz IISVDVYIROVJKK-UHFFFAOYSA-N 0 0 179.223 1.092 10 0 ADAERN C[Si](C)(C)c1cnc(C=O)s1 238454035 573626623 /nfs/dbraw/zinc/62/66/23/573626623.db2.gz MIUUXAKFLYGRCX-UHFFFAOYSA-N 0 0 185.324 1.501 10 0 ADAERN CNCC(F)(F)[C@H]1CCCCO1 257834150 573626626 /nfs/dbraw/zinc/62/66/26/573626626.db2.gz KOIYCFZBOCGPMP-SSDOTTSWSA-N 0 0 179.210 1.410 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]2CCCCC[C@H]2C1 107464395 573626651 /nfs/dbraw/zinc/62/66/51/573626651.db2.gz HUVCTWJQMLQXJO-LPEHRKFASA-N 0 0 197.278 1.629 10 0 ADAERN C[C@@H]1CN[C@](C)(c2ccccn2)O1 258824928 573626653 /nfs/dbraw/zinc/62/66/53/573626653.db2.gz YWEWHULAJOGBFP-SCZZXKLOSA-N 0 0 178.235 1.263 10 0 ADAERN COC(=O)CCNc1cccs1 258825454 573626667 /nfs/dbraw/zinc/62/66/67/573626667.db2.gz APDKUFOSPCRHCF-UHFFFAOYSA-N 0 0 185.248 1.723 10 0 ADAERN CC[C@@H]1[NH2+]C[C@@H](C2CC2)C[C@H]1C(=O)[O-] 107464485 573626677 /nfs/dbraw/zinc/62/66/77/573626677.db2.gz AVYYLUURZSDNAE-AEJSXWLSSA-N 0 0 197.278 1.485 10 0 ADAERN C[C@H]1CC[C@@]2(CC(=O)C=C2O)C1 238453455 573626679 /nfs/dbraw/zinc/62/66/79/573626679.db2.gz BQMFSUQZZUNVCL-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](C2CCCC2)[NH2+]C1 107464391 573626684 /nfs/dbraw/zinc/62/66/84/573626684.db2.gz QXTGMLPHBDKIHH-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN C[Si](C)(C)c1cocc1CO 238454198 573626698 /nfs/dbraw/zinc/62/66/98/573626698.db2.gz ZAYYDRICNFCZKJ-UHFFFAOYSA-N 0 0 170.284 1.317 10 0 ADAERN Cc1c(C[NH3+])[nH]c2ncccc12 238452952 573627021 /nfs/dbraw/zinc/62/70/21/573627021.db2.gz PGSFWOQRMYVIDA-UHFFFAOYSA-N 0 0 161.208 1.330 10 0 ADAERN Cc1noc([C@@](C)(N)C(F)(F)F)n1 86798073 573626734 /nfs/dbraw/zinc/62/67/34/573626734.db2.gz IOBBPPYSMJIFOA-RXMQYKEDSA-N 0 0 195.144 1.114 10 0 ADAERN O=C1c2ccccc2CN1C(F)F 96550049 573626736 /nfs/dbraw/zinc/62/67/36/573626736.db2.gz BEKDCLTXOQHMLN-UHFFFAOYSA-N 0 0 183.157 1.865 10 0 ADAERN C[C@H]1[C@H]2C=CC=C[C@@H]1C(=O)O2 238454133 573626752 /nfs/dbraw/zinc/62/67/52/573626752.db2.gz MCRYWJIBZVZFMB-GJMOJQLCSA-N 0 0 150.177 1.290 10 0 ADAERN CS(=O)(=O)c1cccc2c1CCN2 107464311 573626773 /nfs/dbraw/zinc/62/67/73/573626773.db2.gz JZFYVAORXWQADJ-UHFFFAOYSA-N 0 0 197.259 1.058 10 0 ADAERN CC[C@@H]1[NH2+]C[C@@H](C(C)C)C[C@@H]1C(=O)[O-] 107465806 573626808 /nfs/dbraw/zinc/62/68/08/573626808.db2.gz JKISOTHSHXCDAL-GUBZILKMSA-N 0 0 199.294 1.731 10 0 ADAERN C[C@H]1c2ccccc2O[C@H]1C(N)=O 238453549 573626812 /nfs/dbraw/zinc/62/68/12/573626812.db2.gz KWWBEFAJLOIWNZ-IMTBSYHQSA-N 0 0 177.203 1.036 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](CC2CC2)[C@@H](C(=O)[O-])C1 107464508 573626826 /nfs/dbraw/zinc/62/68/26/573626826.db2.gz OARILTICCSJRDN-HGNGGELXSA-N 0 0 197.278 1.485 10 0 ADAERN Cc1ccccc1N1CC[C@H](O)C1=O 259534786 573627029 /nfs/dbraw/zinc/62/70/29/573627029.db2.gz WFQDUBHWHPXJJS-JTQLQIEISA-N 0 0 191.230 1.093 10 0 ADAERN O[C@@H]1COC[C@H]1c1ccsc1 687963833 573626851 /nfs/dbraw/zinc/62/68/51/573626851.db2.gz BPISYWATIVIWLB-JGVFFNPUSA-N 0 0 170.233 1.223 10 0 ADAERN COC(=O)C1(c2nc(C)c(C)o2)CC1 259532985 573626858 /nfs/dbraw/zinc/62/68/58/573626858.db2.gz AGXUKGFBSHQYLG-UHFFFAOYSA-N 0 0 195.218 1.496 10 0 ADAERN CN(c1cccc(F)n1)[C@H]1CCOC1 96523322 573626868 /nfs/dbraw/zinc/62/68/68/573626868.db2.gz HSJBMIHZJSQJQJ-QMMMGPOBSA-N 0 0 196.225 1.446 10 0 ADAERN OCCCc1cccc2ncoc12 258072600 573626884 /nfs/dbraw/zinc/62/68/84/573626884.db2.gz URSPAUCGXIGABV-UHFFFAOYSA-N 0 0 177.203 1.753 10 0 ADAERN Cc1cnc([C@@H]2CC[C@@H](CO)CN2)o1 107463858 573626965 /nfs/dbraw/zinc/62/69/65/573626965.db2.gz NMNRHUWARFAYAY-BDAKNGLRSA-N 0 0 196.250 1.016 10 0 ADAERN C[C@H](CC(C)(C)C)[C@@H](O)CO 238453001 573626920 /nfs/dbraw/zinc/62/69/20/573626920.db2.gz TWUHFMINHTXLEF-SFYZADRCSA-N 0 0 160.257 1.412 10 0 ADAERN COC(=O)c1ccnc2c1CCCC2 259615951 573626926 /nfs/dbraw/zinc/62/69/26/573626926.db2.gz FHSAEYMMXBUCQI-UHFFFAOYSA-N 0 0 191.230 1.747 10 0 ADAERN Cc1cc(=O)[nH]c([C@H]2CC[C@@H](C)C2)n1 83782617 573626927 /nfs/dbraw/zinc/62/69/27/573626927.db2.gz MWUUTKKNAPIGJT-APPZFPTMSA-N 0 0 192.262 1.982 10 0 ADAERN CC[C@](C)(C(=O)[O-])[NH+]1CC(C)(C)C1 86799079 573626940 /nfs/dbraw/zinc/62/69/40/573626940.db2.gz ATADMDZANJMWEG-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN COC(=O)c1coc2c1CCC2 259534979 573626946 /nfs/dbraw/zinc/62/69/46/573626946.db2.gz FOOSVMVQUVXROD-UHFFFAOYSA-N 0 0 166.176 1.555 10 0 ADAERN O=C([O-])[C@H]1CCC[NH2+][C@@H]1C1CCCC1 107464518 573628026 /nfs/dbraw/zinc/62/80/26/573628026.db2.gz JGJQOCPQQWUORC-VHSXEESVSA-N 0 0 197.278 1.629 10 0 ADAERN CC(=O)[C@H](C)N1C=CSCC1=O 96540399 573628032 /nfs/dbraw/zinc/62/80/32/573628032.db2.gz CXXVEHPHFFAIGP-LURJTMIESA-N 0 0 185.248 1.011 10 0 ADAERN Cc1cc(-c2cc[nH]c2)on1 259133404 573628037 /nfs/dbraw/zinc/62/80/37/573628037.db2.gz HKQPGNBYFCMUBD-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN CC(=O)O[C@@H](C)n1ccnc1C 238459044 573631198 /nfs/dbraw/zinc/63/11/98/573631198.db2.gz YOACQPUCUWEDLY-ZETCQYMHSA-N 0 0 168.196 1.273 10 0 ADAERN C[C@@H]1CC[C@@H](c2noc(CN)n2)C1 83781283 573628073 /nfs/dbraw/zinc/62/80/73/573628073.db2.gz FDMCJAHWVBDPJO-RNFRBKRXSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@H]1CC[Si](C)(C)[C@@H]1O 238454174 573627791 /nfs/dbraw/zinc/62/77/91/573627791.db2.gz HJAYDCKDQPEPSF-BQBZGAKWSA-N 0 0 144.290 1.635 10 0 ADAERN C[C@H]1CC[C@@H](C(N)=S)C1 83781225 573628007 /nfs/dbraw/zinc/62/80/07/573628007.db2.gz SHJBXIUHEBGLRZ-NTSWFWBYSA-N 0 0 143.255 1.709 10 0 ADAERN Cc1noc(-c2ccccc2O)c1N 75579584 573628040 /nfs/dbraw/zinc/62/80/40/573628040.db2.gz NDEUCUWMRLWNIB-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN Cc1ccc(C)c(CCO)c1CO 238453513 573627765 /nfs/dbraw/zinc/62/77/65/573627765.db2.gz FKEABQWUTLOONS-UHFFFAOYSA-N 0 0 180.247 1.331 10 0 ADAERN C[C@H](O)N1C(=O)C[C@H]1c1ccccc1 238453641 573627772 /nfs/dbraw/zinc/62/77/72/573627772.db2.gz AUTSKBXDBJSORI-WPRPVWTQSA-N 0 0 191.230 1.298 10 0 ADAERN Cc1cnc([C@@H]2C[C@H](CO)CCN2)o1 107463879 573627783 /nfs/dbraw/zinc/62/77/83/573627783.db2.gz GFMWDLMNKVUPCR-BDAKNGLRSA-N 0 0 196.250 1.016 10 0 ADAERN CCONC1Cc2ccccc2C1 96544144 573627796 /nfs/dbraw/zinc/62/77/96/573627796.db2.gz ISOKVERILHFHFB-UHFFFAOYSA-N 0 0 177.247 1.695 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](c2ccco2)[NH2+]C1 107463554 573627801 /nfs/dbraw/zinc/62/78/01/573627801.db2.gz XGGJHPWNMLZJDU-HTQZYQBOSA-N 0 0 195.218 1.405 10 0 ADAERN C[C@H]1CC[C@H](c2nc(N)cc(=O)[nH]2)C1 83781627 573627859 /nfs/dbraw/zinc/62/78/59/573627859.db2.gz VDZFJBGKAJUPRM-BQBZGAKWSA-N 0 0 193.250 1.256 10 0 ADAERN O=C(OCCC1CC1)c1cnns1 308409129 573627864 /nfs/dbraw/zinc/62/78/64/573627864.db2.gz NNAQVNAMUXOZCF-UHFFFAOYSA-N 0 0 198.247 1.495 10 0 ADAERN CON[C@H](C)c1cccnc1 96544132 573627883 /nfs/dbraw/zinc/62/78/83/573627883.db2.gz IOQDYECBBOOHOU-SSDOTTSWSA-N 0 0 152.197 1.294 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](CC2CC2)[C@H](C(=O)[O-])C1 107464512 573627884 /nfs/dbraw/zinc/62/78/84/573627884.db2.gz OARILTICCSJRDN-SFGNSQDASA-N 0 0 197.278 1.485 10 0 ADAERN Cc1cccc2c(CO)nn(C)c12 238453934 573627888 /nfs/dbraw/zinc/62/78/88/573627888.db2.gz RHKVAKBRAWWYBU-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN CC[C@]1(C)NC(=O)N(C(C)(C)C)C1=O 86799015 573627917 /nfs/dbraw/zinc/62/79/17/573627917.db2.gz MVHGSZGILJOSPM-JTQLQIEISA-N 0 0 198.266 1.505 10 0 ADAERN CC(C)[C@H]([C@@H]1C[C@@H]1C(=O)[O-])[NH+](C)C 259534161 573627928 /nfs/dbraw/zinc/62/79/28/573627928.db2.gz NKDQJWJQQDNYEL-HRDYMLBCSA-N 0 0 185.267 1.293 10 0 ADAERN CC(=O)C[C@@H](C)SC(N)=S 238454411 573628009 /nfs/dbraw/zinc/62/80/09/573628009.db2.gz YNNGVVAGSBZIDP-RXMQYKEDSA-N 0 0 177.294 1.331 10 0 ADAERN CC(C)CSc1ncc(O)cn1 75576681 573627954 /nfs/dbraw/zinc/62/79/54/573627954.db2.gz HUFSWRZCZOSTQR-UHFFFAOYSA-N 0 0 184.264 1.930 10 0 ADAERN C[C@H](O)Cn1ccc(C(C)(C)C)n1 238453007 573627957 /nfs/dbraw/zinc/62/79/57/573627957.db2.gz YUAHHCWLOYVXAX-QMMMGPOBSA-N 0 0 182.267 1.561 10 0 ADAERN Cc1ccc(Cn2cccc2C=O)[nH]1 75578638 573627973 /nfs/dbraw/zinc/62/79/73/573627973.db2.gz SYXZZWURZXJSAU-UHFFFAOYSA-N 0 0 188.230 1.985 10 0 ADAERN CC[C@H](CO)COc1ccccc1O 258072101 573627981 /nfs/dbraw/zinc/62/79/81/573627981.db2.gz ISZLTKDHIXIPNA-SECBINFHSA-N 0 0 196.246 1.790 10 0 ADAERN C[C@H]1CC[C@@H](c2nc(O)cc(=O)[nH]2)C1 83783026 573629626 /nfs/dbraw/zinc/62/96/26/573629626.db2.gz CUBFYQRQSDZHSF-NKWVEPMBSA-N 0 0 194.234 1.379 10 0 ADAERN c1ccn(NC[C@H]2CCSC2)c1 224442031 573633403 /nfs/dbraw/zinc/63/34/03/573633403.db2.gz LQDJKTCPCZZSAE-SECBINFHSA-N 0 0 182.292 1.785 10 0 ADAERN CCn1ncc(-c2ccc(O)cc2)n1 75579139 573629704 /nfs/dbraw/zinc/62/97/04/573629704.db2.gz YBGHJTMQZZJQJF-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](C2CCCC2)[NH2+]C1 107464388 573629644 /nfs/dbraw/zinc/62/96/44/573629644.db2.gz QXTGMLPHBDKIHH-VHSXEESVSA-N 0 0 197.278 1.629 10 0 ADAERN NOCCc1cc(F)cc(F)c1F 259534288 573629651 /nfs/dbraw/zinc/62/96/51/573629651.db2.gz UKNUYUWGLXNIRU-UHFFFAOYSA-N 0 0 191.152 1.537 10 0 ADAERN CC[C@H](C(=O)OC)C1CCOCC1 259133346 573629653 /nfs/dbraw/zinc/62/96/53/573629653.db2.gz HAVLCNKWJRYVGZ-VIFPVBQESA-N 0 0 186.251 1.612 10 0 ADAERN CC[C@H](F)CCO 78518582 573629672 /nfs/dbraw/zinc/62/96/72/573629672.db2.gz XOFAMHBRBMRCPR-YFKPBYRVSA-N 0 0 106.140 1.117 10 0 ADAERN Cn1ccnc1-c1ncccc1N 96551232 573629683 /nfs/dbraw/zinc/62/96/83/573629683.db2.gz WWZWDFBRHXZJLO-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN C[C@@H]1CC[C@@H]2[NH2+]C[C@@H](C(=O)[O-])C[C@@H]2C1 107464407 573629688 /nfs/dbraw/zinc/62/96/88/573629688.db2.gz SDZODGSMAXRIID-KATARQTJSA-N 0 0 197.278 1.485 10 0 ADAERN CSc1ccc2c(c1)N[C@@H](CO)C2 107463736 573629695 /nfs/dbraw/zinc/62/96/95/573629695.db2.gz AXJZXCVSPAQURV-MRVPVSSYSA-N 0 0 195.287 1.737 10 0 ADAERN CC(C)(C)[NH+]1CC([C@H](F)C(=O)[O-])C1 257834288 573629697 /nfs/dbraw/zinc/62/96/97/573629697.db2.gz KKZPNAFLWYUFGM-ZETCQYMHSA-N 0 0 189.230 1.139 10 0 ADAERN O=Cc1n[nH]nc1Nc1ccccc1 75578398 573629729 /nfs/dbraw/zinc/62/97/29/573629729.db2.gz DKOPPBAMKMFNIE-UHFFFAOYSA-N 0 0 188.190 1.361 10 0 ADAERN COc1cccc(C2(O)CC2)c1O 258072569 573630509 /nfs/dbraw/zinc/63/05/09/573630509.db2.gz UPZUYTIGDHSLPL-UHFFFAOYSA-N 0 0 180.203 1.382 10 0 ADAERN CC(C)Oc1cc(N)nc(Cl)n1 75578124 573631299 /nfs/dbraw/zinc/63/12/99/573631299.db2.gz RABBSYKYTRMDCV-UHFFFAOYSA-N 0 0 187.630 1.499 10 0 ADAERN CC(C)c1cnc(N(C)C#N)nc1 259535034 573631308 /nfs/dbraw/zinc/63/13/08/573631308.db2.gz SJQRTHDQOPVING-UHFFFAOYSA-N 0 0 176.223 1.517 10 0 ADAERN CCC[C@H]([NH3+])[C@@H](C)CC(=O)[O-] 259534764 573631315 /nfs/dbraw/zinc/63/13/15/573631315.db2.gz WQNAZXFDYCWZON-BQBZGAKWSA-N 0 0 159.229 1.225 10 0 ADAERN Cn1c2c(cc(N)c1=O)CCCCC2 257834230 573631317 /nfs/dbraw/zinc/63/13/17/573631317.db2.gz KJZDBCCECRFIDH-UHFFFAOYSA-N 0 0 192.262 1.236 10 0 ADAERN Cc1cnc([C@H]2CC[C@H](CO)CN2)o1 107463855 573630524 /nfs/dbraw/zinc/63/05/24/573630524.db2.gz NMNRHUWARFAYAY-DTWKUNHWSA-N 0 0 196.250 1.016 10 0 ADAERN O[C@@H](Cc1nccs1)[C@H]1CCOC1 86826705 573630526 /nfs/dbraw/zinc/63/05/26/573630526.db2.gz IVFIEXZHGMTNRD-YUMQZZPRSA-N 0 0 199.275 1.083 10 0 ADAERN Cc1cc(C[C@H](C)O)c(O)cc1O 75575899 573630531 /nfs/dbraw/zinc/63/05/31/573630531.db2.gz DQHHHBAZHQMWTK-ZETCQYMHSA-N 0 0 182.219 1.330 10 0 ADAERN O=Cc1ccc(-c2ccoc2C=O)[nH]1 75578984 573630564 /nfs/dbraw/zinc/63/05/64/573630564.db2.gz OAFDXNZWSOBRII-UHFFFAOYSA-N 0 0 189.170 1.900 10 0 ADAERN CCC[C@@H]([NH3+])[C@H](C)CC(=O)[O-] 259534769 573630578 /nfs/dbraw/zinc/63/05/78/573630578.db2.gz WQNAZXFDYCWZON-RNFRBKRXSA-N 0 0 159.229 1.225 10 0 ADAERN O=C1CCC(C(=O)c2cc[nH]c2)CC1 259133192 573630588 /nfs/dbraw/zinc/63/05/88/573630588.db2.gz JOQPUMYFSDNACM-UHFFFAOYSA-N 0 0 191.230 1.957 10 0 ADAERN O=Cc1cc(O)c2c(c1O)CC=CC2 75579516 573630607 /nfs/dbraw/zinc/63/06/07/573630607.db2.gz GWKFMQBVXOEIHJ-UHFFFAOYSA-N 0 0 190.198 1.565 10 0 ADAERN CCC(CC)CN1CCC(=O)NC1=O 130555762 573630610 /nfs/dbraw/zinc/63/06/10/573630610.db2.gz HEHNGHQQXDICFO-UHFFFAOYSA-N 0 0 198.266 1.365 10 0 ADAERN O=Cc1cc(C=O)c2ccccc2n1 75576809 573630627 /nfs/dbraw/zinc/63/06/27/573630627.db2.gz HWLOAAFCSVWBDQ-UHFFFAOYSA-N 0 0 185.182 1.860 10 0 ADAERN CNCc1nc([C@H]2CC[C@@H](C)C2)no1 83781339 573630643 /nfs/dbraw/zinc/63/06/43/573630643.db2.gz AHRLMLLYIDANDV-SFYZADRCSA-N 0 0 195.266 1.693 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 107464384 573630649 /nfs/dbraw/zinc/63/06/49/573630649.db2.gz WTNCJVVDQNTCIE-UTLUCORTSA-N 0 0 197.278 1.582 10 0 ADAERN CC(=O)CCN1C=CSCC1=O 96540507 573630651 /nfs/dbraw/zinc/63/06/51/573630651.db2.gz ZXYFHHKEENADBE-UHFFFAOYSA-N 0 0 185.248 1.012 10 0 ADAERN O=C(/C=C\C1CCC1)NCC(F)F 308409187 573630660 /nfs/dbraw/zinc/63/06/60/573630660.db2.gz NPXWAQVZIVDTEY-PLNGDYQASA-N 0 0 189.205 1.724 10 0 ADAERN Cc1nc(N)c2c(n1)S[C@H](C)C2 75575740 573630668 /nfs/dbraw/zinc/63/06/68/573630668.db2.gz OLTOXJJZYINDJK-SCSAIBSYSA-N 0 0 181.264 1.404 10 0 ADAERN CC(C)C[C@@H]1[NH2+]C[C@@H](C)C[C@H]1C(=O)[O-] 107465799 573630669 /nfs/dbraw/zinc/63/06/69/573630669.db2.gz PYXLASGMEKENON-AEJSXWLSSA-N 0 0 199.294 1.731 10 0 ADAERN CC(C)c1nn(CC(C)(C)O)cc1N 224437150 573630681 /nfs/dbraw/zinc/63/06/81/573630681.db2.gz MBOUYWUNVBJFJI-UHFFFAOYSA-N 0 0 197.282 1.360 10 0 ADAERN O=Cc1ccccc1[C@@H]1C[C@@H]1O 259535402 573630693 /nfs/dbraw/zinc/63/06/93/573630693.db2.gz BJKFIFHLDGWWGN-UWVGGRQHSA-N 0 0 162.188 1.347 10 0 ADAERN CC[C@](C)(O)Cc1nccs1 86826564 573630697 /nfs/dbraw/zinc/63/06/97/573630697.db2.gz MNJMRQAUFHEQJE-QMMMGPOBSA-N 0 0 171.265 1.847 10 0 ADAERN C[C@]1(Nc2ccccc2)C=CNC1=O 238459686 573630716 /nfs/dbraw/zinc/63/07/16/573630716.db2.gz YIPUCXMSYTXIJM-NSHDSACASA-N 0 0 188.230 1.501 10 0 ADAERN Cc1nc(-c2ccccc2)c[nH]c1=O 75577143 573631330 /nfs/dbraw/zinc/63/13/30/573631330.db2.gz NDWLGLFUCYTKJE-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN O=C1C[C@H](C2CCSCC2)CN1 257834241 573630746 /nfs/dbraw/zinc/63/07/46/573630746.db2.gz KQUKAVUSSYASCT-QMMMGPOBSA-N 0 0 185.292 1.266 10 0 ADAERN C[C@@H]1CO[C@H](c2ccc(C=O)cc2)O1 238459804 573630751 /nfs/dbraw/zinc/63/07/51/573630751.db2.gz BHNWSXXQFDJSIB-KCJUWKMLSA-N 0 0 192.214 1.933 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@H]1C1CCCC1 107464516 573630752 /nfs/dbraw/zinc/63/07/52/573630752.db2.gz JGJQOCPQQWUORC-ZJUUUORDSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1ccc(=O)n(CCF)c1 96547457 573630756 /nfs/dbraw/zinc/63/07/56/573630756.db2.gz UQPIWJMPQRJRMQ-UHFFFAOYSA-N 0 0 155.172 1.126 10 0 ADAERN C[C@@H]1CN(c2ccc(O)cc2)C(=O)O1 257837982 573630771 /nfs/dbraw/zinc/63/07/71/573630771.db2.gz LGBNDGKYAMGSAO-SSDOTTSWSA-N 0 0 193.202 1.737 10 0 ADAERN CC(C)CCC[C@H]1COC[C@@H]1O 687963440 573630807 /nfs/dbraw/zinc/63/08/07/573630807.db2.gz AJXBZXQZYOIMPY-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1ccc(C)cc(=O)c1 238459999 573630816 /nfs/dbraw/zinc/63/08/16/573630816.db2.gz QUWZFFZXYMKEHL-UHFFFAOYSA-N 0 0 134.178 1.664 10 0 ADAERN C[Si]1(C)C=CC(O)C=C1 238459387 573630824 /nfs/dbraw/zinc/63/08/24/573630824.db2.gz DCYJQNGZHDFHKH-UHFFFAOYSA-N 0 0 140.258 1.260 10 0 ADAERN C[C@]1(O)C=CNc2ccccc21 238459934 573630832 /nfs/dbraw/zinc/63/08/32/573630832.db2.gz ZKJPWZWFGFLLJK-JTQLQIEISA-N 0 0 161.204 1.833 10 0 ADAERN Cc1ccc(O)c(SCCO)n1 75576936 573630847 /nfs/dbraw/zinc/63/08/47/573630847.db2.gz BJSZBOSCMKRQEN-UHFFFAOYSA-N 0 0 185.248 1.180 10 0 ADAERN C[C@H]1C[C@@H](O)c2ccccc2[C@@H]1O 238459188 573630859 /nfs/dbraw/zinc/63/08/59/573630859.db2.gz NKBRGEQDOWUGNI-WHGOUJPWSA-N 0 0 178.231 1.793 10 0 ADAERN Cc1ccccc1N1CC[C@@H](O)C1=O 259534790 573630869 /nfs/dbraw/zinc/63/08/69/573630869.db2.gz WFQDUBHWHPXJJS-SNVBAGLBSA-N 0 0 191.230 1.093 10 0 ADAERN Cn1ccnc1CCC1(CO)CC1 126682826 573630884 /nfs/dbraw/zinc/63/08/84/573630884.db2.gz QOZJGTUBGZBXPO-UHFFFAOYSA-N 0 0 180.251 1.125 10 0 ADAERN Cc1cnc([C@H]2C[C@@H](CO)CCN2)o1 107463885 573630897 /nfs/dbraw/zinc/63/08/97/573630897.db2.gz GFMWDLMNKVUPCR-DTWKUNHWSA-N 0 0 196.250 1.016 10 0 ADAERN C[C@@H]1C[C@H](O)CC(C)(C)N1N=O 238454662 573630898 /nfs/dbraw/zinc/63/08/98/573630898.db2.gz AYMMJXBZBMPSAY-RQJHMYQMSA-N 0 0 172.228 1.292 10 0 ADAERN CC(C)CCC[C@H]1COC[C@H]1O 687963441 573630911 /nfs/dbraw/zinc/63/09/11/573630911.db2.gz AJXBZXQZYOIMPY-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN COC(=O)C1([C@@H]2CCCOC2)CC1 259532972 573631338 /nfs/dbraw/zinc/63/13/38/573631338.db2.gz AGQXXJQWTJYXRW-MRVPVSSYSA-N 0 0 184.235 1.366 10 0 ADAERN CCC(CC)CNc1cnc(N)cn1 130557584 573630927 /nfs/dbraw/zinc/63/09/27/573630927.db2.gz KTYXPFKNYDXKHS-UHFFFAOYSA-N 0 0 194.282 1.907 10 0 ADAERN C[C@@]1(CO)C=CC2(CC1)OCCO2 238454817 573630929 /nfs/dbraw/zinc/63/09/29/573630929.db2.gz CQQCIYXRSPNJMD-SECBINFHSA-N 0 0 184.235 1.078 10 0 ADAERN Cc1cccc2[nH]c(N)cc(=O)c12 238459306 573630937 /nfs/dbraw/zinc/63/09/37/573630937.db2.gz DHPPHZYYJGUMIF-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN C[C@H]1CCC[C@H](C/C=C/CO)C1=O 238459458 573630946 /nfs/dbraw/zinc/63/09/46/573630946.db2.gz HPUOKQUDACZGOH-AQHVTNBVSA-N 0 0 182.263 1.930 10 0 ADAERN C[C@@H]1[NH2+]C[C@@H](C2CCC2)C[C@@H]1C(=O)[O-] 107464498 573630956 /nfs/dbraw/zinc/63/09/56/573630956.db2.gz SPBYXGWLJUQVHB-HGNGGELXSA-N 0 0 197.278 1.485 10 0 ADAERN Cc1cc(N=O)ccc(=O)c1O 238460091 573630957 /nfs/dbraw/zinc/63/09/57/573630957.db2.gz GXKCPSMXZNWRFQ-UHFFFAOYSA-N 0 0 165.148 1.459 10 0 ADAERN Cc1c(C=O)oc2ccccc2c1=O 75578265 573630962 /nfs/dbraw/zinc/63/09/62/573630962.db2.gz FOOWUPNBXYAMRT-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN FC(F)Sc1ncc[nH]1 96551798 573630993 /nfs/dbraw/zinc/63/09/93/573630993.db2.gz CBHZDVKWKXPZEV-UHFFFAOYSA-N 0 0 150.153 1.724 10 0 ADAERN O=C1CSC=CN1CCF 96540518 573631013 /nfs/dbraw/zinc/63/10/13/573631013.db2.gz QUQHHFPEUUOQPJ-UHFFFAOYSA-N 0 0 161.201 1.003 10 0 ADAERN CCc1nc(N)nc(OC)c1CC 75575726 573631035 /nfs/dbraw/zinc/63/10/35/573631035.db2.gz BGYRFYZLJVSQTM-UHFFFAOYSA-N 0 0 181.239 1.192 10 0 ADAERN CC(=O)CCNC(=O)[C@H]1C[C@@H]1C1CC1 716020553 573631037 /nfs/dbraw/zinc/63/10/37/573631037.db2.gz QBQYVGDHQSZQMV-ZJUUUORDSA-N 0 0 195.262 1.128 10 0 ADAERN Cc1cscc1-c1nc(N)no1 86816903 573631061 /nfs/dbraw/zinc/63/10/61/573631061.db2.gz PJIOIAFJVWPAFN-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN C[C@@H]1CO[C@@]2(CC[C@@H](C)C2=O)O1 238459609 573631083 /nfs/dbraw/zinc/63/10/83/573631083.db2.gz JSYGGAXJAGHOQB-BHNWBGBOSA-N 0 0 170.208 1.117 10 0 ADAERN CCOc1nc(N)c(C(C)=O)s1 75577227 573631106 /nfs/dbraw/zinc/63/11/06/573631106.db2.gz IWDKHUBZMDGKKY-UHFFFAOYSA-N 0 0 186.236 1.327 10 0 ADAERN OCC/C=C/[C@H]1CCCCO1 224449710 573631110 /nfs/dbraw/zinc/63/11/10/573631110.db2.gz FNWAIHZRMSCFJM-ZGQKAHPSSA-N 0 0 156.225 1.494 10 0 ADAERN O=Cc1ccc2nccc(C=O)c2c1 75576811 573631115 /nfs/dbraw/zinc/63/11/15/573631115.db2.gz DMXAOEJQORQAIJ-UHFFFAOYSA-N 0 0 185.182 1.860 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccc(C=O)cc2)O1 238459345 573631123 /nfs/dbraw/zinc/63/11/23/573631123.db2.gz BHNWSXXQFDJSIB-LDYMZIIASA-N 0 0 192.214 1.933 10 0 ADAERN C[C@H]1CC[C@H](c2nc(O)cc(=O)[nH]2)C1 83783021 573631137 /nfs/dbraw/zinc/63/11/37/573631137.db2.gz CUBFYQRQSDZHSF-BQBZGAKWSA-N 0 0 194.234 1.379 10 0 ADAERN C[C@]12C(=O)CC[C@@H]1CCC[C@@H]2O 238459605 573631178 /nfs/dbraw/zinc/63/11/78/573631178.db2.gz BVQYZDGPCCNUIL-NRPADANISA-N 0 0 168.236 1.517 10 0 ADAERN C[C@H](OC(N)=O)C1=CCCC1 238459246 573631184 /nfs/dbraw/zinc/63/11/84/573631184.db2.gz MKQOTMMIGUECKN-LURJTMIESA-N 0 0 155.197 1.581 10 0 ADAERN C[Si]1(C)CCCC(=O)NC1 238459662 573631218 /nfs/dbraw/zinc/63/12/18/573631218.db2.gz IPHGDGILIYKLMD-UHFFFAOYSA-N 0 0 157.289 1.144 10 0 ADAERN O=Cc1ccn(-n2cccc2C=O)c1 75578380 573631220 /nfs/dbraw/zinc/63/12/20/573631220.db2.gz LUJFNBABEADUEU-UHFFFAOYSA-N 0 0 188.186 1.226 10 0 ADAERN CCOc1cccc(NN)c1OCC 146385878 573631223 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238459433 573633271 /nfs/dbraw/zinc/63/32/71/573633271.db2.gz PTIKGFUHKNSTMB-YFKPBYRVSA-N 0 0 161.295 1.429 10 0 ADAERN COCCO[C@H]1CCCCC[C@@H]1O 44222522 573633279 /nfs/dbraw/zinc/63/32/79/573633279.db2.gz OWRNEJJSZSFDEV-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CC(C)(O)C[C@H]1CCCOC1 258486159 573633280 /nfs/dbraw/zinc/63/32/80/573633280.db2.gz JRMWEOQZFVOISR-MRVPVSSYSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@H]1CC[C@@H](c2ncc(CO)cn2)C1 83790368 573633284 /nfs/dbraw/zinc/63/32/84/573633284.db2.gz SSTYHTCKLJQVHB-WCBMZHEXSA-N 0 0 192.262 1.873 10 0 ADAERN NOCc1ccc(Cl)c(N)c1 259534523 573633317 /nfs/dbraw/zinc/63/33/17/573633317.db2.gz UNAGBZYUMYUORU-UHFFFAOYSA-N 0 0 172.615 1.313 10 0 ADAERN CCCc1nnc([C@@H](C)NCC)o1 50618881 573633326 /nfs/dbraw/zinc/63/33/26/573633326.db2.gz GDMIOMHKSJPHNQ-SSDOTTSWSA-N 0 0 183.255 1.693 10 0 ADAERN CNC(=O)[C@H]1C[C@H]1c1ccc(O)cc1 96587675 573633329 /nfs/dbraw/zinc/63/33/29/573633329.db2.gz LXBIHJLFZWWAJG-UWVGGRQHSA-N 0 0 191.230 1.242 10 0 ADAERN 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LQBFDETUWIWENK-KKZNHRDASA-N 0 0 194.278 1.890 10 0 ADAERN CCCN1Cc2cc(O)ccc2C1=O 75580116 573633470 /nfs/dbraw/zinc/63/34/70/573633470.db2.gz PGSXTHNBEYPYNU-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CC[C@@](C)(O)Cc1nccs1 86826565 573633490 /nfs/dbraw/zinc/63/34/90/573633490.db2.gz MNJMRQAUFHEQJE-MRVPVSSYSA-N 0 0 171.265 1.847 10 0 ADAERN NC(=O)N(CC1CCC1)CC1CCC1 78130385 573633496 /nfs/dbraw/zinc/63/34/96/573633496.db2.gz LNTJRXCXQUJQQR-UHFFFAOYSA-N 0 0 196.294 1.967 10 0 ADAERN CC[C@H](C)c1nnc([C@H](C)NC)o1 50618444 573633508 /nfs/dbraw/zinc/63/35/08/573633508.db2.gz DYIAHLFMDVHKMJ-BQBZGAKWSA-N 0 0 183.255 1.864 10 0 ADAERN C[C@H]1CC[C@H](C)C1C(N)=O 211979285 573633528 /nfs/dbraw/zinc/63/35/28/573633528.db2.gz GVTCHQNUYUHLRV-WDSKDSINSA-N 0 0 141.214 1.154 10 0 ADAERN CC(C)=CC[C@H](O)C(C)(C)O 224445151 573633563 /nfs/dbraw/zinc/63/35/63/573633563.db2.gz DMCFZVSGXMRGMP-QMMMGPOBSA-N 0 0 158.241 1.475 10 0 ADAERN OCCCc1cccc2oncc12 258074593 573634210 /nfs/dbraw/zinc/63/42/10/573634210.db2.gz UVLWOWCKFUCAKN-UHFFFAOYSA-N 0 0 177.203 1.753 10 0 ADAERN CCc1nc(C(=O)OC)[nH]c1C 258826455 573633602 /nfs/dbraw/zinc/63/36/02/573633602.db2.gz ZBCZMOKDPJUYEQ-UHFFFAOYSA-N 0 0 168.196 1.067 10 0 ADAERN C[C@H]1CCC=C[C@@H]1C(N)=O 211972169 573633603 /nfs/dbraw/zinc/63/36/03/573633603.db2.gz VJQVDPJJLPHAKD-BQBZGAKWSA-N 0 0 139.198 1.074 10 0 ADAERN C[C@@H]1CC[C@@H](c2noc(CO)n2)C1 83791014 573633633 /nfs/dbraw/zinc/63/36/33/573633633.db2.gz YXEGVDLKGFVXEB-RNFRBKRXSA-N 0 0 182.223 1.466 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](O)c2cncnc2)C1 83785494 573633645 /nfs/dbraw/zinc/63/36/45/573633645.db2.gz SWFRMIWFJSBOAQ-YWVKMMECSA-N 0 0 192.262 1.946 10 0 ADAERN CC(=O)C[C@@H](C)[C@H]1CCCO1 238454755 573633659 /nfs/dbraw/zinc/63/36/59/573633659.db2.gz VKGDWAOTJQJZGU-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN CC[C@H](F)COC(=O)/C=C/COC 393544972 573633665 /nfs/dbraw/zinc/63/36/65/573633665.db2.gz DMNFBVFTINTHIE-ZJELKQJVSA-N 0 0 190.214 1.480 10 0 ADAERN Cc1ccccc1[C@H]1COC[C@H]1O 687970175 573633688 /nfs/dbraw/zinc/63/36/88/573633688.db2.gz PXQFCRLFDWTRPQ-GHMZBOCLSA-N 0 0 178.231 1.470 10 0 ADAERN Cc1ccccc1[C@@H]1COC[C@H]1O 687970180 573633702 /nfs/dbraw/zinc/63/37/02/573633702.db2.gz PXQFCRLFDWTRPQ-WDEREUQCSA-N 0 0 178.231 1.470 10 0 ADAERN CCN[C@H](C)c1nnc([C@@H]2C[C@@H]2C)o1 50618840 573633703 /nfs/dbraw/zinc/63/37/03/573633703.db2.gz RVWMQTSDLADIFO-XLPZGREQSA-N 0 0 195.266 1.864 10 0 ADAERN NOCc1cccc2c1SCC2 258074761 573633710 /nfs/dbraw/zinc/63/37/10/573633710.db2.gz UZESONIIAHIYLM-UHFFFAOYSA-N 0 0 181.260 1.725 10 0 ADAERN C[C@]12C(=O)CC[C@H]1CCC[C@@H]2O 238459572 573633750 /nfs/dbraw/zinc/63/37/50/573633750.db2.gz BVQYZDGPCCNUIL-WEDXCCLWSA-N 0 0 168.236 1.517 10 0 ADAERN COc1cc(C)c(CNN)c(C)c1C 259144243 573633751 /nfs/dbraw/zinc/63/37/51/573633751.db2.gz CWMRFRUJANJPIH-UHFFFAOYSA-N 0 0 194.278 1.584 10 0 ADAERN Cc1cscc1C(=O)NC#N 86816003 573633813 /nfs/dbraw/zinc/63/38/13/573633813.db2.gz JTZGYSAYYHFWIC-UHFFFAOYSA-N 0 0 166.205 1.267 10 0 ADAERN CC[C@H](NC(=O)NOC)C(C)(C)C 393544183 573633814 /nfs/dbraw/zinc/63/38/14/573633814.db2.gz CQXNBCMCBZBFAP-ZETCQYMHSA-N 0 0 188.271 1.672 10 0 ADAERN O=C([O-])CC[N@@H+]1CC[C@H]2CCCC[C@@H]21 96630432 573633826 /nfs/dbraw/zinc/63/38/26/573633826.db2.gz SCPMQJDSVQOQHK-ZJUUUORDSA-N 0 0 197.278 1.726 10 0 ADAERN CCC1(CC)NC(=O)N(C2CC2)C1=O 86811872 573633831 /nfs/dbraw/zinc/63/38/31/573633831.db2.gz MQKVHVXIVJBTTM-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN CCN[C@H](C)c1nnc(C(C)C)o1 50618902 573633843 /nfs/dbraw/zinc/63/38/43/573633843.db2.gz BWQAGNARWACBNP-SSDOTTSWSA-N 0 0 183.255 1.864 10 0 ADAERN C[Si]1(C)CCNC(=O)CC1 238460041 573633878 /nfs/dbraw/zinc/63/38/78/573633878.db2.gz YTQYKIQLRLPBKL-UHFFFAOYSA-N 0 0 157.289 1.215 10 0 ADAERN O=Cc1cccn2cccc12 82409121 573633895 /nfs/dbraw/zinc/63/38/95/573633895.db2.gz HSWBUVUMBOUUNK-UHFFFAOYSA-N 0 0 145.161 1.752 10 0 ADAERN CC(=O)CNC(=O)c1cscc1C 86815668 573633907 /nfs/dbraw/zinc/63/39/07/573633907.db2.gz QILLQPXGJKDLFC-UHFFFAOYSA-N 0 0 197.259 1.375 10 0 ADAERN CCc1cc(N)c(F)cc1OC 258074615 573633925 /nfs/dbraw/zinc/63/39/25/573633925.db2.gz UWBZXNKRZUYBCT-UHFFFAOYSA-N 0 0 169.199 1.979 10 0 ADAERN CCOCCC(=O)C1=C(O)CCC1 43651277 573633987 /nfs/dbraw/zinc/63/39/87/573633987.db2.gz LOJMDBYEHJKDTL-QMMMGPOBSA-N 0 0 184.235 1.351 10 0 ADAERN CCOc1cccnc1NC(=O)CC 96557443 573634017 /nfs/dbraw/zinc/63/40/17/573634017.db2.gz XLUBEGZLVJQOKG-UHFFFAOYSA-N 0 0 194.234 1.829 10 0 ADAERN CCOCCC(=O)C1=C(O)CCC1 43651276 573634021 /nfs/dbraw/zinc/63/40/21/573634021.db2.gz LOJMDBYEHJKDTL-MRVPVSSYSA-N 0 0 184.235 1.351 10 0 ADAERN C[C@@H]1CC[C@H](c2ncc(CO)cn2)C1 83790362 573634024 /nfs/dbraw/zinc/63/40/24/573634024.db2.gz SSTYHTCKLJQVHB-SCZZXKLOSA-N 0 0 192.262 1.873 10 0 ADAERN ONCc1ccccc1-c1ncc[nH]1 258072722 573634026 /nfs/dbraw/zinc/63/40/26/573634026.db2.gz MIQDHXIESATGLA-UHFFFAOYSA-N 0 0 189.218 1.556 10 0 ADAERN C[C@@H]1CC[C@@H](c2noc(N)n2)C1 83790056 573634166 /nfs/dbraw/zinc/63/41/66/573634166.db2.gz YSMQTVGDTWKVOP-PHDIDXHHSA-N 0 0 167.212 1.555 10 0 ADAERN Cc1c(C)c2c(c(C)c1O)CC(=O)O2 75580587 573634063 /nfs/dbraw/zinc/63/40/63/573634063.db2.gz TUMSDSLPWRMFLH-UHFFFAOYSA-N 0 0 192.214 1.779 10 0 ADAERN C[C@@H]1Cc2ccc(CON)cc2N1 258072945 573634068 /nfs/dbraw/zinc/63/40/68/573634068.db2.gz MJQSKVXYGIEODK-SSDOTTSWSA-N 0 0 178.235 1.433 10 0 ADAERN CCC(CC)CNc1n[nH]c(N)n1 130554211 573634077 /nfs/dbraw/zinc/63/40/77/573634077.db2.gz VBTWGOXTOUKXNX-UHFFFAOYSA-N 0 0 183.259 1.235 10 0 ADAERN CCOCCC(=O)C1=C(O)CCCC1 43651242 573634091 /nfs/dbraw/zinc/63/40/91/573634091.db2.gz ZXDVXRAGKRRLCK-SECBINFHSA-N 0 0 198.262 1.741 10 0 ADAERN Cc1ccccc1[C@H]1COC[C@@H]1O 687970176 573634098 /nfs/dbraw/zinc/63/40/98/573634098.db2.gz PXQFCRLFDWTRPQ-MNOVXSKESA-N 0 0 178.231 1.470 10 0 ADAERN CC(C)(O)Cc1nccs1 86826563 573634101 /nfs/dbraw/zinc/63/41/01/573634101.db2.gz MTAODEKILPCPIU-UHFFFAOYSA-N 0 0 157.238 1.457 10 0 ADAERN C/C=C\CCC(=O)CC(=O)OC 33732519 573634127 /nfs/dbraw/zinc/63/41/27/573634127.db2.gz KEFBZRDCTCSBIN-ARJAWSKDSA-N 0 0 170.208 1.475 10 0 ADAERN CNSc1ccc2c(c1)OCO2 259143208 573634130 /nfs/dbraw/zinc/63/41/30/573634130.db2.gz DZYUMCQODMUBIW-UHFFFAOYSA-N 0 0 183.232 1.642 10 0 ADAERN CCC(C)(C)C[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 258825640 573634136 /nfs/dbraw/zinc/63/41/36/573634136.db2.gz GQWXJNNRSBQCOT-IUCAKERBSA-N 0 0 199.294 1.733 10 0 ADAERN C[C@H]1CC[C@H](c2nccc(CO)n2)C1 83790347 573634137 /nfs/dbraw/zinc/63/41/37/573634137.db2.gz FXPBEJDXZZZNMD-IUCAKERBSA-N 0 0 192.262 1.873 10 0 ADAERN C[C@@H]1CC[C@@H](c2nccc(CO)n2)C1 83790349 573634140 /nfs/dbraw/zinc/63/41/40/573634140.db2.gz FXPBEJDXZZZNMD-RKDXNWHRSA-N 0 0 192.262 1.873 10 0 ADAERN C[C@@H]1CC[C@@H](c2noc(C=O)n2)C1 83790923 573634159 /nfs/dbraw/zinc/63/41/59/573634159.db2.gz HXTCPEUZCRTQCU-RNFRBKRXSA-N 0 0 180.207 1.786 10 0 ADAERN CCCC[C@H](C(=O)[O-])[C@@H](C)[NH3+] 147826250 573635855 /nfs/dbraw/zinc/63/58/55/573635855.db2.gz XJDLYSRZKWNOFL-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN COc1ccc2cnc(C=O)nc2c1 257835033 573634335 /nfs/dbraw/zinc/63/43/35/573634335.db2.gz KMXZDEBKTINHDD-UHFFFAOYSA-N 0 0 188.186 1.451 10 0 ADAERN OCc1cnc(C2CCSCC2)o1 258072783 573634268 /nfs/dbraw/zinc/63/42/68/573634268.db2.gz MABPRVYMBLHVOY-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN C[C@@](O)(Cc1nccs1)C1CC1 86826569 573634269 /nfs/dbraw/zinc/63/42/69/573634269.db2.gz UMRXCQLDYDFEEH-SECBINFHSA-N 0 0 183.276 1.847 10 0 ADAERN CCCc1nnc([C@H](C)NC)o1 50618468 573634296 /nfs/dbraw/zinc/63/42/96/573634296.db2.gz IHZVTHJVVRAOTE-LURJTMIESA-N 0 0 169.228 1.303 10 0 ADAERN Cc1cscc1-c1nnc(CN)o1 86816944 573634308 /nfs/dbraw/zinc/63/43/08/573634308.db2.gz YIOHYRDYKFJNSV-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN O=C(NCCCF)[C@@H]1CCC1(F)F 308409709 573634313 /nfs/dbraw/zinc/63/43/13/573634313.db2.gz NUONFSMTRUDDDO-LURJTMIESA-N 0 0 195.184 1.508 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](O)c2cnccn2)C1 83786258 573634325 /nfs/dbraw/zinc/63/43/25/573634325.db2.gz YKRXGWMMPOODCO-YWVKMMECSA-N 0 0 192.262 1.946 10 0 ADAERN O=Cc1nn2ccncc2c1Cl 257834870 573635167 /nfs/dbraw/zinc/63/51/67/573635167.db2.gz KRRUWYOMEFWKQD-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN COCCO[C@@H]1CCCCC[C@H]1O 44222526 573635387 /nfs/dbraw/zinc/63/53/87/573635387.db2.gz OWRNEJJSZSFDEV-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@]1(O)CCCc2c(O)cccc21 238460470 573635724 /nfs/dbraw/zinc/63/57/24/573635724.db2.gz ICGXFMZROQCZIM-NSHDSACASA-N 0 0 178.231 1.936 10 0 ADAERN O[C@H](Cc1nccs1)C1CCC1 86827256 573635725 /nfs/dbraw/zinc/63/57/25/573635725.db2.gz CWYNFZBCUAIIMF-MRVPVSSYSA-N 0 0 183.276 1.847 10 0 ADAERN CC(C)c1nc2nc(N)ccc2[nH]1 86830826 573635732 /nfs/dbraw/zinc/63/57/32/573635732.db2.gz ODLPOPYLEZTDSR-UHFFFAOYSA-N 0 0 176.223 1.664 10 0 ADAERN C[C@]1(c2cc(N)n[nH]2)CCSC1 259535818 573635832 /nfs/dbraw/zinc/63/58/32/573635832.db2.gz BLLUMHKGNKTDFT-QMMMGPOBSA-N 0 0 183.280 1.387 10 0 ADAERN C[C@@H]1CC[C@H](c2noc(C=O)n2)C1 83790920 573635159 /nfs/dbraw/zinc/63/51/59/573635159.db2.gz HXTCPEUZCRTQCU-RQJHMYQMSA-N 0 0 180.207 1.786 10 0 ADAERN Cn1ccnc1SCCC1(O)CC1 308409707 573635161 /nfs/dbraw/zinc/63/51/61/573635161.db2.gz NUAYLKABMKLLQI-UHFFFAOYSA-N 0 0 198.291 1.427 10 0 ADAERN C[C@@H]1CC[C@H](c2nc(CO)c[nH]2)C1 83790622 573635176 /nfs/dbraw/zinc/63/51/76/573635176.db2.gz XCMINJFCOGKUEF-SFYZADRCSA-N 0 0 180.251 1.806 10 0 ADAERN Cc1c(CO)nc2cccc(Cl)n12 257834592 573635182 /nfs/dbraw/zinc/63/51/82/573635182.db2.gz AFQMEJYQDYKGSI-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN CCOc1cccnc1NC(C)=O 96557442 573635185 /nfs/dbraw/zinc/63/51/85/573635185.db2.gz NYWIRMROUXRSFX-UHFFFAOYSA-N 0 0 180.207 1.439 10 0 ADAERN Cc1cc(O)cc2c1OC[C@@H](C)N2 238460305 573635209 /nfs/dbraw/zinc/63/52/09/573635209.db2.gz PSDAXXBVPZJIII-SSDOTTSWSA-N 0 0 179.219 1.893 10 0 ADAERN C[C@H]1CC[C@H](c2ncnc(N)n2)C1 83791101 573635212 /nfs/dbraw/zinc/63/52/12/573635212.db2.gz MWLFEDDZRYWMGM-BQBZGAKWSA-N 0 0 178.239 1.357 10 0 ADAERN C[C@@H]1CC[C@H](c2nccc(CO)n2)C1 83790345 573635218 /nfs/dbraw/zinc/63/52/18/573635218.db2.gz FXPBEJDXZZZNMD-BDAKNGLRSA-N 0 0 192.262 1.873 10 0 ADAERN CCN1CC(=O)Nc2ccc(O)cc21 257835058 573635239 /nfs/dbraw/zinc/63/52/39/573635239.db2.gz KNLURPJSVFSTSK-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN O=Cc1cnc(CC2CC2)o1 82408231 573635245 /nfs/dbraw/zinc/63/52/45/573635245.db2.gz QHCMGVWMLRDCLZ-UHFFFAOYSA-N 0 0 151.165 1.440 10 0 ADAERN COC(=O)CC(=O)[C@H]1CCCC[C@@H]1C 257834479 573635256 /nfs/dbraw/zinc/63/52/56/573635256.db2.gz IISLYXFBEBFVRB-IUCAKERBSA-N 0 0 198.262 1.945 10 0 ADAERN C[C@H]1[C@H](CC(N)=O)CCC1(C)C 238460652 573635285 /nfs/dbraw/zinc/63/52/85/573635285.db2.gz FRNVIPFEQYQFRR-YUMQZZPRSA-N 0 0 169.268 1.934 10 0 ADAERN O=Cc1nc2cc(Cl)ccn2n1 107343478 573635286 /nfs/dbraw/zinc/63/52/86/573635286.db2.gz GFYAVOQMSLOYRT-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN C[C@H]1CCC[C@H]1CCC(N)=O 238461018 573635292 /nfs/dbraw/zinc/63/52/92/573635292.db2.gz CKMGGQUYXWPIPD-YUMQZZPRSA-N 0 0 155.241 1.688 10 0 ADAERN COC(=O)C(C)(C)c1cc(C)n(C)c1 259536272 573635298 /nfs/dbraw/zinc/63/52/98/573635298.db2.gz FVLLDDIRISZISU-UHFFFAOYSA-N 0 0 195.262 1.784 10 0 ADAERN NNC1(c2ccccc2Cl)COC1 258826504 573635304 /nfs/dbraw/zinc/63/53/04/573635304.db2.gz ZEMGTSXPXUJMRZ-UHFFFAOYSA-N 0 0 198.653 1.029 10 0 ADAERN COCc1c(F)cc(C=O)cc1F 258074535 573635315 /nfs/dbraw/zinc/63/53/15/573635315.db2.gz UUYGXDUSEGRLQK-UHFFFAOYSA-N 0 0 186.157 1.924 10 0 ADAERN O=c1nc(-c2ccccc2O)o[nH]1 258073850 573635335 /nfs/dbraw/zinc/63/53/35/573635335.db2.gz QNQQJBOUDWHDHZ-UHFFFAOYSA-N 0 0 178.147 1.148 10 0 ADAERN CO[C@@H](c1ccc(C)o1)N(C)C 259146091 573635838 /nfs/dbraw/zinc/63/58/38/573635838.db2.gz KPODFXOSWXEOTD-VIFPVBQESA-N 0 0 169.224 1.795 10 0 ADAERN C[N@@H+]1C[C@@H](C2CCC2)C[C@H]1C(=O)[O-] 257834954 573635341 /nfs/dbraw/zinc/63/53/41/573635341.db2.gz KVFUGSFVLAIGDO-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H]1Cc2ccc(CON)cc2N1 258072950 573635342 /nfs/dbraw/zinc/63/53/42/573635342.db2.gz MJQSKVXYGIEODK-ZETCQYMHSA-N 0 0 178.235 1.433 10 0 ADAERN Nc1ccc([C@@H]2NCCCC2=O)cc1 257835036 573635362 /nfs/dbraw/zinc/63/53/62/573635362.db2.gz KMYHUSHBXDDWPK-NSHDSACASA-N 0 0 190.246 1.262 10 0 ADAERN COc1c(CCO)cnn1C(C)(C)C 258074668 573635371 /nfs/dbraw/zinc/63/53/71/573635371.db2.gz STTAGDLLWMJPSM-UHFFFAOYSA-N 0 0 198.266 1.182 10 0 ADAERN OCCc1cnc(C2CCCC2)o1 258072863 573635383 /nfs/dbraw/zinc/63/53/83/573635383.db2.gz MBGPWIAJJDVOBK-UHFFFAOYSA-N 0 0 181.235 1.867 10 0 ADAERN CCc1nc2nc(N)ccc2[nH]1 86830881 573635840 /nfs/dbraw/zinc/63/58/40/573635840.db2.gz RZMFPKUHOGBDMV-UHFFFAOYSA-N 0 0 162.196 1.103 10 0 ADAERN C[C@H]1CC[C@@H](c2nccc(N)n2)C1 83789729 573635405 /nfs/dbraw/zinc/63/54/05/573635405.db2.gz FYLUDUCPIGDONW-JGVFFNPUSA-N 0 0 177.251 1.962 10 0 ADAERN COc1nc2c(CCO)cccc2o1 258072810 573635409 /nfs/dbraw/zinc/63/54/09/573635409.db2.gz MKKCUEZCCPUJBH-UHFFFAOYSA-N 0 0 193.202 1.371 10 0 ADAERN C[C@H]1CC[C@H](c2nccc(N)n2)C1 83789725 573635418 /nfs/dbraw/zinc/63/54/18/573635418.db2.gz FYLUDUCPIGDONW-YUMQZZPRSA-N 0 0 177.251 1.962 10 0 ADAERN COC(=O)CC(=O)[C@@H]1CCCC[C@H]1C 257834480 573635419 /nfs/dbraw/zinc/63/54/19/573635419.db2.gz IISLYXFBEBFVRB-RKDXNWHRSA-N 0 0 198.262 1.945 10 0 ADAERN COc1cc(C)c(O)cc1[C@H](C)CO 258073003 573635422 /nfs/dbraw/zinc/63/54/22/573635422.db2.gz MNAFXGFYQQABFZ-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN COCCc1ccc(CNOC)cc1 258072709 573635434 /nfs/dbraw/zinc/63/54/34/573635434.db2.gz MIENFCNKUKJLHT-UHFFFAOYSA-N 0 0 195.262 1.527 10 0 ADAERN C[C@@H]1CC[C@@H](c2ncc(CO)cn2)C1 83790366 573635438 /nfs/dbraw/zinc/63/54/38/573635438.db2.gz SSTYHTCKLJQVHB-PSASIEDQSA-N 0 0 192.262 1.873 10 0 ADAERN CN[C@H](C)c1nnc(CCC(C)C)o1 50618517 573635455 /nfs/dbraw/zinc/63/54/55/573635455.db2.gz AVNUXXKIWOARFK-MRVPVSSYSA-N 0 0 197.282 1.939 10 0 ADAERN COc1cccc([C@@H](F)CON)c1 259535869 573635472 /nfs/dbraw/zinc/63/54/72/573635472.db2.gz BMAJPHWGTWZDKE-VIFPVBQESA-N 0 0 185.198 1.596 10 0 ADAERN C[Si]1(C)CCC(=O)[C@H](O)CC1 238460182 573635476 /nfs/dbraw/zinc/63/54/76/573635476.db2.gz HQSYAHIZOWDBGN-SSDOTTSWSA-N 0 0 172.300 1.419 10 0 ADAERN C[C@H]1CCc2c(ccc(C=O)c2O)O1 75580551 573635479 /nfs/dbraw/zinc/63/54/79/573635479.db2.gz FVNLZUXVAPFKBF-ZETCQYMHSA-N 0 0 192.214 1.918 10 0 ADAERN OCC[C@@H]1Cc2ccc(O)cc2C1 257834970 573635492 /nfs/dbraw/zinc/63/54/92/573635492.db2.gz KVSQWGQXOSREMU-MRVPVSSYSA-N 0 0 178.231 1.489 10 0 ADAERN C[C@H]1CC(C)(C)CC(=O)[C@@H]1CO 238460391 573635512 /nfs/dbraw/zinc/63/55/12/573635512.db2.gz VFMLFLGRVHTIBF-JGVFFNPUSA-N 0 0 170.252 1.620 10 0 ADAERN CO[C@@H]1COc2cccc(O)c2C1 257834889 573635535 /nfs/dbraw/zinc/63/55/35/573635535.db2.gz KSGRBRWOENGJCP-ZETCQYMHSA-N 0 0 180.203 1.342 10 0 ADAERN C[C@H]1CC(C)(C)N(C(N)=O)C(=O)O1 238461200 573635547 /nfs/dbraw/zinc/63/55/47/573635547.db2.gz XHFVBJGKTBWWDT-YFKPBYRVSA-N 0 0 186.211 1.075 10 0 ADAERN CNc1ccc2[nH]c(COC)nc2n1 86830890 573635551 /nfs/dbraw/zinc/63/55/51/573635551.db2.gz OMTPMERDQXCOQC-UHFFFAOYSA-N 0 0 192.222 1.146 10 0 ADAERN O=Cc1nc(Cl)c(Cl)nc1O 75581096 573635557 /nfs/dbraw/zinc/63/55/57/573635557.db2.gz VHUINMZQWJVCLE-UHFFFAOYSA-N 0 0 192.989 1.302 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](O)c2ccnn2C)C1 83785686 573635634 /nfs/dbraw/zinc/63/56/34/573635634.db2.gz LQBFDETUWIWENK-YWVKMMECSA-N 0 0 194.278 1.890 10 0 ADAERN CC(=O)Nc1cccc2oc(=O)[nH]c12 96561397 573635643 /nfs/dbraw/zinc/63/56/43/573635643.db2.gz UDUXYEUYPOMVSE-UHFFFAOYSA-N 0 0 192.174 1.080 10 0 ADAERN C[C@H](O)CCCc1nccs1 86828448 573635603 /nfs/dbraw/zinc/63/56/03/573635603.db2.gz VLKFUPUFVFYNOG-ZETCQYMHSA-N 0 0 171.265 1.847 10 0 ADAERN Cc1cc(C=O)c(C(F)F)[nH]c1=O 238460877 573635607 /nfs/dbraw/zinc/63/56/07/573635607.db2.gz DLQHZNDYGSHCTH-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CC(C)[C@H](C)C(=O)N[C@H]1CCCC1=O 716027539 573635623 /nfs/dbraw/zinc/63/56/23/573635623.db2.gz POZYWCLAPNAUCF-IUCAKERBSA-N 0 0 197.278 1.516 10 0 ADAERN O[C@H]1CCC[C@H]1Cc1nccs1 86828130 573635652 /nfs/dbraw/zinc/63/56/52/573635652.db2.gz UIFSOASRTYFQCZ-YUMQZZPRSA-N 0 0 183.276 1.847 10 0 ADAERN COC(=O)c1n[nH]c2cc(C)oc12 259616894 573635654 /nfs/dbraw/zinc/63/56/54/573635654.db2.gz FNBXHZOZABQZBR-UHFFFAOYSA-N 0 0 180.163 1.251 10 0 ADAERN C[C@H]1CC[C@H](c2noc(CO)n2)C1 83791012 573635670 /nfs/dbraw/zinc/63/56/70/573635670.db2.gz YXEGVDLKGFVXEB-BQBZGAKWSA-N 0 0 182.223 1.466 10 0 ADAERN CCc1c(O)ccc2c1NC(=O)C2=O 75580027 573635694 /nfs/dbraw/zinc/63/56/94/573635694.db2.gz ADKHJEHYRRHZJW-UHFFFAOYSA-N 0 0 191.186 1.089 10 0 ADAERN NOCCc1cc2c(cc1F)OCC2 258072790 573635700 /nfs/dbraw/zinc/63/57/00/573635700.db2.gz MJWQXJQUNREKBM-UHFFFAOYSA-N 0 0 197.209 1.193 10 0 ADAERN CNc1cc(-c2ccc[nH]2)n(C)n1 259147059 573635701 /nfs/dbraw/zinc/63/57/01/573635701.db2.gz KERTYROVEQUGLZ-UHFFFAOYSA-N 0 0 176.223 1.457 10 0 ADAERN OCCc1cc(Cl)cc(F)c1O 258072959 573635705 /nfs/dbraw/zinc/63/57/05/573635705.db2.gz MMHMIPNIOYPANU-UHFFFAOYSA-N 0 0 190.601 1.720 10 0 ADAERN CCCc1ccnc(CC(=O)OC)n1 259146800 573635716 /nfs/dbraw/zinc/63/57/16/573635716.db2.gz RNGLPJHYDNJUGW-UHFFFAOYSA-N 0 0 194.234 1.145 10 0 ADAERN c1ccn(NC[C@@H]2CCSC2)c1 224441983 573635734 /nfs/dbraw/zinc/63/57/34/573635734.db2.gz LQDJKTCPCZZSAE-VIFPVBQESA-N 0 0 182.292 1.785 10 0 ADAERN Cc1oncc1NC(=O)C(C)(C)C 238466868 573635739 /nfs/dbraw/zinc/63/57/39/573635739.db2.gz BOFWPIAKDVOCLI-UHFFFAOYSA-N 0 0 182.223 1.968 10 0 ADAERN C[C@@H]1CC[C@H](c2noc(N)n2)C1 83790052 573635766 /nfs/dbraw/zinc/63/57/66/573635766.db2.gz YSMQTVGDTWKVOP-RITPCOANSA-N 0 0 167.212 1.555 10 0 ADAERN CCc1nc([C@@H]2CSCCN2)no1 257835124 573635771 /nfs/dbraw/zinc/63/57/71/573635771.db2.gz IJZXYLRFVDUVBM-LURJTMIESA-N 0 0 199.279 1.010 10 0 ADAERN O=c1nc(Cc2cccc(F)c2)o[nH]1 258073671 573635777 /nfs/dbraw/zinc/63/57/77/573635777.db2.gz QKUIKVAMHGOTDG-UHFFFAOYSA-N 0 0 194.165 1.505 10 0 ADAERN C[Si]1(C)CCC(=O)[C@@H](O)CC1 238460313 573635789 /nfs/dbraw/zinc/63/57/89/573635789.db2.gz HQSYAHIZOWDBGN-ZETCQYMHSA-N 0 0 172.300 1.419 10 0 ADAERN Nc1ccc([C@H]2NCCCC2=O)cc1 257835034 573635812 /nfs/dbraw/zinc/63/58/12/573635812.db2.gz KMYHUSHBXDDWPK-LLVKDONJSA-N 0 0 190.246 1.262 10 0 ADAERN Cc1nc(N)nc([C@@H]2CC[C@H](C)C2)n1 83791082 573635813 /nfs/dbraw/zinc/63/58/13/573635813.db2.gz OLCVOPKKQJDZAN-POYBYMJQSA-N 0 0 192.266 1.666 10 0 ADAERN CO[C@H]1COc2cccc(O)c2C1 257834888 573635826 /nfs/dbraw/zinc/63/58/26/573635826.db2.gz KSGRBRWOENGJCP-SSDOTTSWSA-N 0 0 180.203 1.342 10 0 ADAERN Nc1ccc(Cc2nccs2)cn1 86828032 573637133 /nfs/dbraw/zinc/63/71/33/573637133.db2.gz KRMNREUFQFYHNE-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CCOc1ccc2nc(CC)[nH]c2n1 86830530 573637141 /nfs/dbraw/zinc/63/71/41/573637141.db2.gz JVFOZPBKHANRBC-UHFFFAOYSA-N 0 0 191.234 1.919 10 0 ADAERN Nc1ccc(OC2CCCC2)nc1N 86830132 573637147 /nfs/dbraw/zinc/63/71/47/573637147.db2.gz VYDANPBMQHZDSX-UHFFFAOYSA-N 0 0 193.250 1.567 10 0 ADAERN CCOCc1nc2nc(N)ccc2[nH]1 86830838 573637153 /nfs/dbraw/zinc/63/71/53/573637153.db2.gz XDMYMHSNKQZTFX-UHFFFAOYSA-N 0 0 192.222 1.077 10 0 ADAERN O=Cc1cccc2cccn12 82409122 573637154 /nfs/dbraw/zinc/63/71/54/573637154.db2.gz NTCFHGKYPLXPGF-UHFFFAOYSA-N 0 0 145.161 1.752 10 0 ADAERN CCOCC(=O)Cc1ccoc1 130646662 573637165 /nfs/dbraw/zinc/63/71/65/573637165.db2.gz WZPHWMSSZZIITD-UHFFFAOYSA-N 0 0 168.192 1.428 10 0 ADAERN C[C@H](O)CC(C)(C)Cn1cc[nH]c1=O 393545165 573639710 /nfs/dbraw/zinc/63/97/10/573639710.db2.gz JKBQMUGSSXOBTR-QMMMGPOBSA-N 0 0 198.266 1.386 10 0 ADAERN C[C@]1(O)CNc2ccccc2OC1 238461259 573636680 /nfs/dbraw/zinc/63/66/80/573636680.db2.gz ZZTSUHBXUFTNTE-JTQLQIEISA-N 0 0 179.219 1.242 10 0 ADAERN CNc1ccc2[nH]c(C)nc2n1 86830898 573636688 /nfs/dbraw/zinc/63/66/88/573636688.db2.gz RDLRMFWUUAAJDQ-UHFFFAOYSA-N 0 0 162.196 1.308 10 0 ADAERN C[Si]1(C)C=C[C@@H](CO)C1 238460645 573636695 /nfs/dbraw/zinc/63/66/95/573636695.db2.gz SANAQTKVPRIIHT-ZETCQYMHSA-N 0 0 142.274 1.412 10 0 ADAERN CSCCCn1ccnc(C)c1=O 393544919 573636718 /nfs/dbraw/zinc/63/67/18/573636718.db2.gz CVYRNKUSQMFVPR-UHFFFAOYSA-N 0 0 198.291 1.305 10 0 ADAERN CCCSc1ccc(N)c(N)n1 86830246 573636720 /nfs/dbraw/zinc/63/67/20/573636720.db2.gz FJPBFALAQRVUMZ-UHFFFAOYSA-N 0 0 183.280 1.748 10 0 ADAERN O[C@@H]1C=C(Cc2nccs2)CC1 86828491 573636727 /nfs/dbraw/zinc/63/67/27/573636727.db2.gz VSXCUQJTEOXILJ-QMMMGPOBSA-N 0 0 181.260 1.767 10 0 ADAERN C[N@@H+]1CCC[C@](CF)(CC(=O)[O-])C1 259538230 573636728 /nfs/dbraw/zinc/63/67/28/573636728.db2.gz BNJXRNQTMOXDLY-SECBINFHSA-N 0 0 189.230 1.143 10 0 ADAERN Cc1[nH]c2ccccc2c1NN 259144547 573636732 /nfs/dbraw/zinc/63/67/32/573636732.db2.gz HSOPIHJZFREQKY-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN C[C@H]1[C@H](CC(=O)[O-])CCCC[N@@H+]1C 238460882 573636735 /nfs/dbraw/zinc/63/67/35/573636735.db2.gz FPULSPFTGZCTNP-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN O=C1OCc2c(F)cc(F)c(F)c21 257835080 573636737 /nfs/dbraw/zinc/63/67/37/573636737.db2.gz KOJNFYWNMJCCAV-UHFFFAOYSA-N 0 0 188.104 1.774 10 0 ADAERN CCN[C@@H](C)c1nnc(C(C)C)o1 50618901 573636749 /nfs/dbraw/zinc/63/67/49/573636749.db2.gz BWQAGNARWACBNP-ZETCQYMHSA-N 0 0 183.255 1.864 10 0 ADAERN Cc1cc(C=O)c(C(F)F)c(N)n1 238460548 573636775 /nfs/dbraw/zinc/63/67/75/573636775.db2.gz RPVCXHNQVCCUHU-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC[C@H](O)c1cncc(OC)c1 96610499 573636783 /nfs/dbraw/zinc/63/67/83/573636783.db2.gz SMSKGPNXOVWLHN-VIFPVBQESA-N 0 0 167.208 1.534 10 0 ADAERN C[C@@H]1C=C([C@H]([NH3+])C(=O)[O-])CC(C)(C)C1 238460545 573636795 /nfs/dbraw/zinc/63/67/95/573636795.db2.gz MDPOPCULSBFZGT-APPZFPTMSA-N 0 0 197.278 1.781 10 0 ADAERN O=Cc1cccc([C@H](O)C2CC2)c1 259616838 573636805 /nfs/dbraw/zinc/63/68/05/573636805.db2.gz DXBKYMXKVQSVGL-LLVKDONJSA-N 0 0 176.215 1.943 10 0 ADAERN c1ccc2c(c1)OC[C@@H]1OCCN[C@@H]21 75580158 573636829 /nfs/dbraw/zinc/63/68/29/573636829.db2.gz OBKRGSXABDXYFB-QWRGUYRKSA-N 0 0 191.230 1.109 10 0 ADAERN O[C@@H]1CC[C@H](Cc2nccs2)C1 86828453 573636833 /nfs/dbraw/zinc/63/68/33/573636833.db2.gz ZVDPHDNMOBLQHD-JGVFFNPUSA-N 0 0 183.276 1.847 10 0 ADAERN C[C@H]1CCC=C[C@H]1C(N)=O 211972318 573636838 /nfs/dbraw/zinc/63/68/38/573636838.db2.gz VJQVDPJJLPHAKD-NKWVEPMBSA-N 0 0 139.198 1.074 10 0 ADAERN Cc1cc2c(cnn2C)cc1C=O 259535963 573636858 /nfs/dbraw/zinc/63/68/58/573636858.db2.gz SBEGZFBSSGAXQN-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN CSCc1nc2nc(N)ccc2[nH]1 86830836 573636867 /nfs/dbraw/zinc/63/68/67/573636867.db2.gz NQSKYCIHIKFXQB-UHFFFAOYSA-N 0 0 194.263 1.403 10 0 ADAERN CCc1noc2c(C=O)c(O)ccc12 75580024 573636892 /nfs/dbraw/zinc/63/68/92/573636892.db2.gz MTAJFDVILZNANG-UHFFFAOYSA-N 0 0 191.186 1.908 10 0 ADAERN CC[C@H](F)COC(=O)/C=C\COC 393544969 573636895 /nfs/dbraw/zinc/63/68/95/573636895.db2.gz DMNFBVFTINTHIE-LGYSABEFSA-N 0 0 190.214 1.480 10 0 ADAERN Cc1cc(-n2nccc2C)nc(C)n1 86829412 573637109 /nfs/dbraw/zinc/63/71/09/573637109.db2.gz SJXSBMRKTRXFNU-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN CCCc1nnc([C@H](C)NCC)o1 50618882 573636982 /nfs/dbraw/zinc/63/69/82/573636982.db2.gz GDMIOMHKSJPHNQ-ZETCQYMHSA-N 0 0 183.255 1.693 10 0 ADAERN O=C(Cc1ccoc1)C1CSC1 405105423 573636997 /nfs/dbraw/zinc/63/69/97/573636997.db2.gz YKXUOJPRVLWJDP-UHFFFAOYSA-N 0 0 182.244 1.754 10 0 ADAERN C[C@H]1C[C@@H]1c1nc2nc(N)ccc2[nH]1 86830791 573637026 /nfs/dbraw/zinc/63/70/26/573637026.db2.gz DOHUPIGNHGZDRF-WDSKDSINSA-N 0 0 188.234 1.664 10 0 ADAERN O=C(NCCCCF)OCC1CC1 308409669 573637048 /nfs/dbraw/zinc/63/70/48/573637048.db2.gz NSVGFIZNBDHUFM-UHFFFAOYSA-N 0 0 189.230 1.872 10 0 ADAERN OCCc1cccc(C2(CO)CC2)c1 259536329 573637057 /nfs/dbraw/zinc/63/70/57/573637057.db2.gz UPVQUUYZHNRZLB-UHFFFAOYSA-N 0 0 192.258 1.245 10 0 ADAERN COC(=O)c1oncc1-c1ccco1 259536027 573637119 /nfs/dbraw/zinc/63/71/19/573637119.db2.gz ZCOBSGXQVCWTGV-UHFFFAOYSA-N 0 0 193.158 1.721 10 0 ADAERN COC(=O)c1ccc(N(C)C#N)cc1 259146142 573637101 /nfs/dbraw/zinc/63/71/01/573637101.db2.gz FATLZZVMQWMRQZ-UHFFFAOYSA-N 0 0 190.202 1.390 10 0 ADAERN Cc1ccc(C)n1C/C=C/CO 238460215 573637188 /nfs/dbraw/zinc/63/71/88/573637188.db2.gz OFHQFOQVWKXIEV-ONEGZZNKSA-N 0 0 165.236 1.653 10 0 ADAERN O[C@H]1CC[C@H](Cc2nccs2)C1 86828451 573637190 /nfs/dbraw/zinc/63/71/90/573637190.db2.gz ZVDPHDNMOBLQHD-YUMQZZPRSA-N 0 0 183.276 1.847 10 0 ADAERN C[C@H]1C[C@@H](NCCCC2CC2)C(=O)O1 308650970 573637192 /nfs/dbraw/zinc/63/71/92/573637192.db2.gz KLKXZQNPHBIFQT-WCBMZHEXSA-N 0 0 197.278 1.470 10 0 ADAERN CC[C@H]1CC[C@@H](c2noc(N)n2)C1 83803195 573640076 /nfs/dbraw/zinc/64/00/76/573640076.db2.gz AAXSCMCUPOHAKO-NKWVEPMBSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1ccnn1C 83807258 573642172 /nfs/dbraw/zinc/64/21/72/573642172.db2.gz SFAKXHNLHILKPG-RQJHMYQMSA-N 0 0 164.208 1.259 10 0 ADAERN C[C@@H]1CCCC[C@@]12C(=O)CCNC2=O 238462076 573639939 /nfs/dbraw/zinc/63/99/39/573639939.db2.gz IABMIFKTEZINBW-KCJUWKMLSA-N 0 0 195.262 1.272 10 0 ADAERN Nc1onc(Cl)c1[C@H]1CCOC1 257845101 573639946 /nfs/dbraw/zinc/63/99/46/573639946.db2.gz NMGZIVREIBNLBH-BYPYZUCNSA-N 0 0 188.614 1.414 10 0 ADAERN O=c1[nH]c(=S)[nH]cc1[C@@H]1CCCO1 149438352 573639947 /nfs/dbraw/zinc/63/99/47/573639947.db2.gz WBAWFFDQWTXFLT-LURJTMIESA-N 0 0 198.247 1.284 10 0 ADAERN CN1CC(=O)Nc2sccc21 75592378 573639954 /nfs/dbraw/zinc/63/99/54/573639954.db2.gz FUHVINPTUITLTO-UHFFFAOYSA-N 0 0 168.221 1.136 10 0 ADAERN C[C@@H]1C(=O)CCCCCN1C 238461705 573640013 /nfs/dbraw/zinc/64/00/13/573640013.db2.gz UIWMKVBPLZHHPU-MRVPVSSYSA-N 0 0 155.241 1.450 10 0 ADAERN CC(=O)c1cc2c(o1)CCOC2 75590638 573640022 /nfs/dbraw/zinc/64/00/22/573640022.db2.gz ISKKPHABWUFLOF-UHFFFAOYSA-N 0 0 166.176 1.555 10 0 ADAERN C[C@H]1CC(C)(C)[NH2+]C[C@@H]1C(=O)[O-] 238461642 573639345 /nfs/dbraw/zinc/63/93/45/573639345.db2.gz ZKQYTAFOAPWIMM-BQBZGAKWSA-N 0 0 171.240 1.095 10 0 ADAERN O[C@@H](Cc1nccs1)[C@H]1CCCO1 86827287 573639378 /nfs/dbraw/zinc/63/93/78/573639378.db2.gz YTOOUTIQHPCRSG-JGVFFNPUSA-N 0 0 199.275 1.226 10 0 ADAERN Cc1cc(C=O)c(C=O)s1 238461462 573639380 /nfs/dbraw/zinc/63/93/80/573639380.db2.gz SDOGMUAJVBMUJK-UHFFFAOYSA-N 0 0 154.190 1.682 10 0 ADAERN COc1ccc(F)cc1C1(O)COC1 258521585 573639393 /nfs/dbraw/zinc/63/93/93/573639393.db2.gz HEFHTPJJRMFZLI-UHFFFAOYSA-N 0 0 198.193 1.052 10 0 ADAERN Cc1cc(C=O)c(N)nc1C(F)F 238462027 573640041 /nfs/dbraw/zinc/64/00/41/573640041.db2.gz FZQZOWJZVXDEHI-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN COC[C@H](C)[C@@H](C)n1cncc1CO 308652340 573639404 /nfs/dbraw/zinc/63/94/04/573639404.db2.gz LDDNSYAYTDYIHV-DTWKUNHWSA-N 0 0 198.266 1.219 10 0 ADAERN O=C1CC=C(Cl)S1 213424112 573639405 /nfs/dbraw/zinc/63/94/05/573639405.db2.gz WMTNTMUBWZOHAA-UHFFFAOYSA-N 0 0 134.587 1.730 10 0 ADAERN CSCCCF 78821879 573639430 /nfs/dbraw/zinc/63/94/30/573639430.db2.gz LARDTLPKENKXQG-UHFFFAOYSA-N 0 0 108.181 1.709 10 0 ADAERN Cc1cc(NC(N)=O)c(C)s1 238462010 573639426 /nfs/dbraw/zinc/63/94/26/573639426.db2.gz POIOKUMSCWFBJL-UHFFFAOYSA-N 0 0 170.237 1.856 10 0 ADAERN Cc1[nH]c(CO)nc1-c1ccccn1 258826593 573639442 /nfs/dbraw/zinc/63/94/42/573639442.db2.gz ZIASDSKDCIGHTO-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN Cc1c(Cl)c(C=O)cn(C)c1=O 238461339 573639443 /nfs/dbraw/zinc/63/94/43/573639443.db2.gz LPLLAIYZDOPTLY-UHFFFAOYSA-N 0 0 185.610 1.160 10 0 ADAERN COC(=O)[C@H](N)CCc1ccc(C)o1 259146521 573639444 /nfs/dbraw/zinc/63/94/44/573639444.db2.gz UKDWOWKLIRUCCZ-SECBINFHSA-N 0 0 197.234 1.021 10 0 ADAERN C[C@H]1CC(C)(C)NC(=S)N1 238461514 573639449 /nfs/dbraw/zinc/63/94/49/573639449.db2.gz QZLLOIUSXGPSCR-YFKPBYRVSA-N 0 0 158.270 1.021 10 0 ADAERN CC[C@@H](CCCO)[C@@H](C)O 78820662 573639477 /nfs/dbraw/zinc/63/94/77/573639477.db2.gz XFRSHJSIVZJQDL-SFYZADRCSA-N 0 0 146.230 1.166 10 0 ADAERN C[C@@H](O)[C@H]1CN(C)c2ccccc21 257838068 573639492 /nfs/dbraw/zinc/63/94/92/573639492.db2.gz AZYKALVJVBEGRG-PSASIEDQSA-N 0 0 177.247 1.601 10 0 ADAERN C[Si]1(C[C@H]([NH3+])C(=O)[O-])CCCC1 238461633 573639508 /nfs/dbraw/zinc/63/95/08/573639508.db2.gz JOWBFKVJBAWMTH-ZETCQYMHSA-N 0 0 187.315 1.271 10 0 ADAERN Cn1cc(O[C@@H]2CCCCO2)cn1 258515016 573640045 /nfs/dbraw/zinc/64/00/45/573640045.db2.gz MUTMVPQBSWSYGB-SECBINFHSA-N 0 0 182.223 1.326 10 0 ADAERN NC(=S)[C@@H]1COc2ccccc2C1 83791461 573640046 /nfs/dbraw/zinc/64/00/46/573640046.db2.gz GVBRLKFPJKYXDX-QMMMGPOBSA-N 0 0 193.271 1.524 10 0 ADAERN COC(=N)[C@H]1COc2ccccc2C1 83802734 573639518 /nfs/dbraw/zinc/63/95/18/573639518.db2.gz ZURVDRRYWLYLBS-SECBINFHSA-N 0 0 191.230 1.861 10 0 ADAERN CCn1c(C(C)=O)ccc1N(C)C 75588740 573639529 /nfs/dbraw/zinc/63/95/29/573639529.db2.gz XBTUMEGIFGHUJV-UHFFFAOYSA-N 0 0 180.251 1.777 10 0 ADAERN C[C@]1(O)C[C@H]2CC(=O)C[C@@]2(C)C1 238461770 573639531 /nfs/dbraw/zinc/63/95/31/573639531.db2.gz NEBYCVQNEQUIBR-JEZHCXPESA-N 0 0 168.236 1.517 10 0 ADAERN O[C@@H](Cc1nccs1)C1CCC1 86827255 573639545 /nfs/dbraw/zinc/63/95/45/573639545.db2.gz CWYNFZBCUAIIMF-QMMMGPOBSA-N 0 0 183.276 1.847 10 0 ADAERN C[C@@H](O)Cc1ccc(F)c(N(C)C)c1 259538491 573639583 /nfs/dbraw/zinc/63/95/83/573639583.db2.gz UVRGEPYNCWPHOP-MRVPVSSYSA-N 0 0 197.253 1.815 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]([NH3+])C(C)(C)C 259537816 573639594 /nfs/dbraw/zinc/63/95/94/573639594.db2.gz WUNZRPJBXDAZDJ-SVRRBLITSA-N 0 0 173.256 1.471 10 0 ADAERN CCSc1nc(N)nc2c1CCC2 75598380 573639650 /nfs/dbraw/zinc/63/96/50/573639650.db2.gz UNJXRBJSFPGMFF-UHFFFAOYSA-N 0 0 195.291 1.660 10 0 ADAERN COC(=O)C1(c2ccncc2)CCC1 259146649 573639654 /nfs/dbraw/zinc/63/96/54/573639654.db2.gz HVXQCDGKGJHYMV-UHFFFAOYSA-N 0 0 191.230 1.676 10 0 ADAERN C[C@H]([NH2+]CCCC(=O)[O-])c1ccon1 308651060 573640059 /nfs/dbraw/zinc/64/00/59/573640059.db2.gz KLLOSMNPOCCNDB-ZETCQYMHSA-N 0 0 198.222 1.190 10 0 ADAERN CO[C@]1(CO)CCc2ccc(C)cc21 257845076 573639694 /nfs/dbraw/zinc/63/96/94/573639694.db2.gz NLJMNWFEHIYFCY-LBPRGKRZSA-N 0 0 192.258 1.775 10 0 ADAERN C[NH+](C)C[C@@]1(F)CC[C@H](C(=O)[O-])C1 257844986 573639716 /nfs/dbraw/zinc/63/97/16/573639716.db2.gz NJNVVBFMQFPOMJ-IONNQARKSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@@H]1C[C@@H](C2CCCC2)C(=O)NC1=O 238466817 573639722 /nfs/dbraw/zinc/63/97/22/573639722.db2.gz VVTPXTHELVNKRW-APPZFPTMSA-N 0 0 195.262 1.475 10 0 ADAERN Cn1nc([C@]2(C)CCSC2)cc1N 258074921 573639726 /nfs/dbraw/zinc/63/97/26/573639726.db2.gz LUAXGRTUESCFPT-SECBINFHSA-N 0 0 197.307 1.397 10 0 ADAERN Cc1cc(C=O)c(N)c(C(F)F)n1 238461996 573639729 /nfs/dbraw/zinc/63/97/29/573639729.db2.gz KTUBEHMYNOSFAG-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC(C)CSc1ccc(N)c(N)n1 86830250 573639777 /nfs/dbraw/zinc/63/97/77/573639777.db2.gz VUIGZXMFPXMCJU-UHFFFAOYSA-N 0 0 197.307 1.994 10 0 ADAERN C[C@@H](O)[C@H]1COc2ccccc2C1 83799836 573639788 /nfs/dbraw/zinc/63/97/88/573639788.db2.gz NOPKEFQPQIGQDV-PSASIEDQSA-N 0 0 178.231 1.619 10 0 ADAERN [NH3+]Cc1[nH]ncc1C1CCC1 257845443 573639798 /nfs/dbraw/zinc/63/97/98/573639798.db2.gz PWLWYZRAULGNLO-UHFFFAOYSA-N 0 0 151.213 1.136 10 0 ADAERN C[C@@H]1C(=O)CCCCN1C 238461677 573639802 /nfs/dbraw/zinc/63/98/02/573639802.db2.gz RTKNVUUNKKOZOB-SSDOTTSWSA-N 0 0 141.214 1.060 10 0 ADAERN Cc1c(C)c(C)n(CCC(N)=O)c1C 148761929 573639818 /nfs/dbraw/zinc/63/98/18/573639818.db2.gz MEOFOPLWEXCCID-UHFFFAOYSA-N 0 0 194.278 1.597 10 0 ADAERN C[NH2+]Cc1cc(F)c([O-])c(F)c1 86831030 573639829 /nfs/dbraw/zinc/63/98/29/573639829.db2.gz RWAKSPAHXLBPLD-UHFFFAOYSA-N 0 0 173.162 1.390 10 0 ADAERN CCc1ccc(SNN)cc1 259145438 573639837 /nfs/dbraw/zinc/63/98/37/573639837.db2.gz FCSMGJWTHLBLJK-UHFFFAOYSA-N 0 0 168.265 1.719 10 0 ADAERN CC1(C)C[N@@H+](/C=C\C(=O)[O-])CCCO1 308651104 573639847 /nfs/dbraw/zinc/63/98/47/573639847.db2.gz KMRWFZKJUOQSBT-XQRVVYSFSA-N 0 0 199.250 1.086 10 0 ADAERN Cc1ncc(C(F)F)c(F)c1C[NH3+] 238461348 573639867 /nfs/dbraw/zinc/63/98/67/573639867.db2.gz LXCHVDJAQGXXJC-UHFFFAOYSA-N 0 0 190.168 1.925 10 0 ADAERN C[C@@H](O)[C@H]1CC2CC1C2 257845393 573639876 /nfs/dbraw/zinc/63/98/76/573639876.db2.gz PUDYAMAJBKLRHT-LFHVAVFRSA-N 0 0 126.199 1.413 10 0 ADAERN COC[C@@H](C)[C@H](C)n1cncc1CO 308652339 573639879 /nfs/dbraw/zinc/63/98/79/573639879.db2.gz LDDNSYAYTDYIHV-BDAKNGLRSA-N 0 0 198.266 1.219 10 0 ADAERN C[NH+](C)C[C@]1(F)CC[C@H](C(=O)[O-])C1 257844984 573639888 /nfs/dbraw/zinc/63/98/88/573639888.db2.gz NJNVVBFMQFPOMJ-CBAPKCEASA-N 0 0 189.230 1.141 10 0 ADAERN O=C1CN[C@H](c2cccc(F)c2)C1 258826719 573639896 /nfs/dbraw/zinc/63/98/96/573639896.db2.gz IWTONXXFIRJAIZ-JTQLQIEISA-N 0 0 179.194 1.429 10 0 ADAERN Nc1ccc2[nH]c(C3CCC3)nc2n1 86830852 573639907 /nfs/dbraw/zinc/63/99/07/573639907.db2.gz MWKIHTPRQLAEOS-UHFFFAOYSA-N 0 0 188.234 1.808 10 0 ADAERN Cc1ccc2c(c1)[C@@H](C)[C@H](CO)C2=O 238462002 573640071 /nfs/dbraw/zinc/64/00/71/573640071.db2.gz SCVCHBLSRBHOAJ-KCJUWKMLSA-N 0 0 190.242 1.903 10 0 ADAERN C[C@@H](O)[C@@H]1CC2CC1C2 257845390 573640072 /nfs/dbraw/zinc/64/00/72/573640072.db2.gz PUDYAMAJBKLRHT-CQRKAFIDSA-N 0 0 126.199 1.413 10 0 ADAERN CN=c1ssc(=S)n1C 254856002 573640075 /nfs/dbraw/zinc/64/00/75/573640075.db2.gz NTBGCUDCUVQJHI-UHFFFAOYSA-N 0 0 178.307 1.408 10 0 ADAERN Cc1oc(C(=O)[O-])c2c1[C@@H]([NH3+])CCC2 75589148 573640080 /nfs/dbraw/zinc/64/00/80/573640080.db2.gz IHRRJMBBPXCOOS-ZETCQYMHSA-N 0 0 195.218 1.622 10 0 ADAERN CCCC[C@@H](F)[C@@H](C)O 257845418 573640085 /nfs/dbraw/zinc/64/00/85/573640085.db2.gz PVKWTZQBTWLMLZ-RNFRBKRXSA-N 0 0 134.194 1.896 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1ccnn1C 83807262 573642770 /nfs/dbraw/zinc/64/27/70/573642770.db2.gz SFAKXHNLHILKPG-RNFRBKRXSA-N 0 0 164.208 1.259 10 0 ADAERN CC(=O)Nc1sc(Cl)nc1N 257839382 573642772 /nfs/dbraw/zinc/64/27/72/573642772.db2.gz LPYCZEUEKIGINI-UHFFFAOYSA-N 0 0 191.643 1.337 10 0 ADAERN C[C@H]1CNc2c(N)cccc2N1C 259148393 573640885 /nfs/dbraw/zinc/64/08/85/573640885.db2.gz HPUGKWBEHYZGPK-ZETCQYMHSA-N 0 0 177.251 1.519 10 0 ADAERN CO[C@@]1(CO)CCc2ccc(C)cc21 257845074 573640886 /nfs/dbraw/zinc/64/08/86/573640886.db2.gz NLJMNWFEHIYFCY-GFCCVEGCSA-N 0 0 192.258 1.775 10 0 ADAERN O=C(NCC[C@H]1CCCS1)C1CC1 716052071 573640890 /nfs/dbraw/zinc/64/08/90/573640890.db2.gz ACUNJKARTWMELA-SECBINFHSA-N 0 0 199.319 1.798 10 0 ADAERN Nc1ccc2[nH]c(C3CC3)nc2n1 86830858 573640906 /nfs/dbraw/zinc/64/09/06/573640906.db2.gz AEZMMMOTUIYSLK-UHFFFAOYSA-N 0 0 174.207 1.418 10 0 ADAERN COC(=O)[C@](N)([C@H](C)F)C(C)(C)C 257844976 573640908 /nfs/dbraw/zinc/64/09/08/573640908.db2.gz NJNNPNUFWAJKOA-IMTBSYHQSA-N 0 0 191.246 1.261 10 0 ADAERN CC1=C2CC[C@H](C)C=C2NC1=O 238461991 573640912 /nfs/dbraw/zinc/64/09/12/573640912.db2.gz RBNQPRQDNHSYNX-LURJTMIESA-N 0 0 163.220 1.747 10 0 ADAERN COC[C@@H](C)[C@@H](C)n1cncc1CO 308652342 573640917 /nfs/dbraw/zinc/64/09/17/573640917.db2.gz LDDNSYAYTDYIHV-RKDXNWHRSA-N 0 0 198.266 1.219 10 0 ADAERN C[C@]1(O)C[C@@H]2C[C@@H](O)C[C@@]2(C)C1 238461639 573640940 /nfs/dbraw/zinc/64/09/40/573640940.db2.gz DICXLYKSRYTWHZ-JXUBOQSCSA-N 0 0 170.252 1.308 10 0 ADAERN Oc1ccccc1Oc1ncc[nH]1 257845612 573640943 /nfs/dbraw/zinc/64/09/43/573640943.db2.gz ABJBHFJGUSRUSY-UHFFFAOYSA-N 0 0 176.175 1.908 10 0 ADAERN Cc1ccccc1/C=C/[C@H](O)CO 238461590 573640960 /nfs/dbraw/zinc/64/09/60/573640960.db2.gz KSXXCUWKWOBGLH-MLRMMBSGSA-N 0 0 178.231 1.361 10 0 ADAERN Nc1ncc(Cc2nccs2)s1 86828041 573640971 /nfs/dbraw/zinc/64/09/71/573640971.db2.gz GMVGVXROLJQBMD-UHFFFAOYSA-N 0 0 197.288 1.773 10 0 ADAERN C[C@@H]1C[C@H]1c1nc2nc(N)ccc2[nH]1 86830792 573640981 /nfs/dbraw/zinc/64/09/81/573640981.db2.gz DOHUPIGNHGZDRF-PHDIDXHHSA-N 0 0 188.234 1.664 10 0 ADAERN CC(C)[C@@H](CO)c1ccc[nH]1 259146842 573640991 /nfs/dbraw/zinc/64/09/91/573640991.db2.gz HYCKPHXSGFBYIA-MRVPVSSYSA-N 0 0 153.225 1.747 10 0 ADAERN C[C@@H]1Oc2sccc2NC1=O 75592128 573641036 /nfs/dbraw/zinc/64/10/36/573641036.db2.gz DCJVCHMHMXCCLC-BYPYZUCNSA-N 0 0 169.205 1.468 10 0 ADAERN CC(=O)Cc1ncc2ccc(O)cn12 258504979 573642809 /nfs/dbraw/zinc/64/28/09/573642809.db2.gz ZZFAFSCVGPERNR-UHFFFAOYSA-N 0 0 190.202 1.171 10 0 ADAERN CC[C@H]1CC[C@H](c2noc(N)n2)C1 83803190 573641054 /nfs/dbraw/zinc/64/10/54/573641054.db2.gz AAXSCMCUPOHAKO-BQBZGAKWSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@H](O)C1Cc2ccccc2C1 83799974 573641061 /nfs/dbraw/zinc/64/10/61/573641061.db2.gz MLLPAFKREFCTMQ-QMMMGPOBSA-N 0 0 162.232 1.782 10 0 ADAERN O[C@@H]1CCC[C@H]1Cc1nccs1 86828132 573641064 /nfs/dbraw/zinc/64/10/64/573641064.db2.gz UIFSOASRTYFQCZ-JGVFFNPUSA-N 0 0 183.276 1.847 10 0 ADAERN O=C(N[C@@H]1CCCC1=O)C1CC=CC1 716054753 573641070 /nfs/dbraw/zinc/64/10/70/573641070.db2.gz KNYSATSXDHQSQN-SECBINFHSA-N 0 0 193.246 1.190 10 0 ADAERN CC(=O)[C@H]1C(=O)NC(C)(C)C[C@@H]1C 238461469 573641075 /nfs/dbraw/zinc/64/10/75/573641075.db2.gz FDSVAYSJKMJGNZ-XPUUQOCRSA-N 0 0 183.251 1.126 10 0 ADAERN CCc1c(C)nc([C@@H]2C[C@H]2C)[nH]c1=O 83806059 573642810 /nfs/dbraw/zinc/64/28/10/573642810.db2.gz OIACZUBJSLPSST-HZGVNTEJSA-N 0 0 192.262 1.764 10 0 ADAERN CCC(=O)N(CC)c1ccc(N)cn1 259147537 573641127 /nfs/dbraw/zinc/64/11/27/573641127.db2.gz MPNRDIZHLPKVRF-UHFFFAOYSA-N 0 0 193.250 1.427 10 0 ADAERN CCCCOc1cccc[n+]1[O-] 215566697 573641129 /nfs/dbraw/zinc/64/11/29/573641129.db2.gz HEDSQVCCBBOPIP-UHFFFAOYSA-N 0 0 167.208 1.499 10 0 ADAERN C[C@H](O)[C@@H]1CC2CC1C2 257845394 573641143 /nfs/dbraw/zinc/64/11/43/573641143.db2.gz PUDYAMAJBKLRHT-UMULYZNJSA-N 0 0 126.199 1.413 10 0 ADAERN CC/C(=C\C[NH2+]CCCF)C(=O)[O-] 393544829 573641157 /nfs/dbraw/zinc/64/11/57/573641157.db2.gz GBGNRDYMQNCLJF-XBXARRHUSA-N 0 0 189.230 1.357 10 0 ADAERN CC1=CS(=O)(=O)c2cc(N)ccc21 75598014 573641159 /nfs/dbraw/zinc/64/11/59/573641159.db2.gz WRWSSLPEECPRIR-UHFFFAOYSA-N 0 0 195.243 1.417 10 0 ADAERN OCCc1occ2ccccc12 149266120 573641163 /nfs/dbraw/zinc/64/11/63/573641163.db2.gz DPVDHAJLYAEXOF-UHFFFAOYSA-N 0 0 162.188 1.968 10 0 ADAERN COC(=O)[C@@](N)([C@H](C)F)C(C)(C)C 257844980 573641178 /nfs/dbraw/zinc/64/11/78/573641178.db2.gz NJNNPNUFWAJKOA-RCOVLWMOSA-N 0 0 191.246 1.261 10 0 ADAERN CO[C@@H]1CC[C@@H](n2cc(N)c(C)n2)C1 224461246 573641195 /nfs/dbraw/zinc/64/11/95/573641195.db2.gz VNIWLXFQMXGBRP-RKDXNWHRSA-N 0 0 195.266 1.514 10 0 ADAERN C[C@H]1CC[C@]2(OC2(C)C)[C@@H](O)C1 238461589 573641197 /nfs/dbraw/zinc/64/11/97/573641197.db2.gz UWIHVAMOLYZPJY-NRPADANISA-N 0 0 170.252 1.715 10 0 ADAERN C[Si]1(/C=C/CO)CCCC1 238461818 573641230 /nfs/dbraw/zinc/64/12/30/573641230.db2.gz XORCDZHJOUSZNY-XBXARRHUSA-N 0 0 156.301 1.947 10 0 ADAERN CC(=O)c1oc(N)nc1C(C)C 258827695 573641240 /nfs/dbraw/zinc/64/12/40/573641240.db2.gz PACNZYBFECEXMH-UHFFFAOYSA-N 0 0 168.196 1.583 10 0 ADAERN OCc1n[nH]cc1-c1ccccc1O 257845395 573641246 /nfs/dbraw/zinc/64/12/46/573641246.db2.gz PUEFYKYTDPACMK-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN C[C@H]1Nc2cccc(N)c2SC1=O 257845150 573641251 /nfs/dbraw/zinc/64/12/51/573641251.db2.gz AANPCCHLAFYGHU-RXMQYKEDSA-N 0 0 194.259 1.702 10 0 ADAERN NC(=S)[C@H]1COc2ccccc2C1 83791463 573641257 /nfs/dbraw/zinc/64/12/57/573641257.db2.gz GVBRLKFPJKYXDX-MRVPVSSYSA-N 0 0 193.271 1.524 10 0 ADAERN COC(=O)[C@@H]1[C@@H](OC)C12CCCCC2 259538678 573641268 /nfs/dbraw/zinc/64/12/68/573641268.db2.gz GAIDJOIRDNEPMA-DTWKUNHWSA-N 0 0 198.262 1.755 10 0 ADAERN C[C@@H]1Nc2cccc(N)c2SC1=O 257845152 573641271 /nfs/dbraw/zinc/64/12/71/573641271.db2.gz AANPCCHLAFYGHU-YFKPBYRVSA-N 0 0 194.259 1.702 10 0 ADAERN C[C@]1(O)C[C@@H]2CC(=O)C[C@@]2(C)C1 238461540 573641275 /nfs/dbraw/zinc/64/12/75/573641275.db2.gz NEBYCVQNEQUIBR-HGNGGELXSA-N 0 0 168.236 1.517 10 0 ADAERN O=C(CC1CC1)O[C@@H]1CCCOC1 308410237 573642825 /nfs/dbraw/zinc/64/28/25/573642825.db2.gz NYUGBINIQNTNCR-SECBINFHSA-N 0 0 184.235 1.509 10 0 ADAERN O=C1CCCON1c1cccc(O)c1 257845005 573641277 /nfs/dbraw/zinc/64/12/77/573641277.db2.gz NKDVYVSXGBNOPV-UHFFFAOYSA-N 0 0 193.202 1.451 10 0 ADAERN Cc1nsc(Cl)c1C=O 223219449 573641292 /nfs/dbraw/zinc/64/12/92/573641292.db2.gz JFGUBYRGUDFBCU-UHFFFAOYSA-N 0 0 161.613 1.917 10 0 ADAERN C[Si]1(CCCO)CCC1 238461487 573641294 /nfs/dbraw/zinc/64/12/94/573641294.db2.gz XYZZSNYRTQLUKL-UHFFFAOYSA-N 0 0 144.290 1.851 10 0 ADAERN Oc1cccc2c1NCCS2 257845179 573641315 /nfs/dbraw/zinc/64/13/15/573641315.db2.gz ACHDPTUVIMPASY-UHFFFAOYSA-N 0 0 167.233 1.910 10 0 ADAERN C[C@@H]1CCn2nc3c(c2N1)CCCC3 238461928 573641325 /nfs/dbraw/zinc/64/13/25/573641325.db2.gz SUDXVDHCYGWGLV-MRVPVSSYSA-N 0 0 191.278 1.966 10 0 ADAERN C[C@]1(O)C[C@@H]2CCC[C@@H]2C[C@@H]1O 238461605 573641331 /nfs/dbraw/zinc/64/13/31/573641331.db2.gz VVOFDRRCOJPOAP-KATARQTJSA-N 0 0 170.252 1.308 10 0 ADAERN O=Cc1coc([C@@H]2CCSC2)n1 259538841 573641332 /nfs/dbraw/zinc/64/13/32/573641332.db2.gz BRIBXFBCMIWWSX-ZCFIWIBFSA-N 0 0 183.232 1.708 10 0 ADAERN C[C@H]1CC[C@]2(CCC(=O)NC2=O)C1 238461335 573641341 /nfs/dbraw/zinc/64/13/41/573641341.db2.gz FLQUUFCAHGCMID-XVKPBYJWSA-N 0 0 181.235 1.229 10 0 ADAERN CC(=O)c1cc2n[nH]n(C(C)C)c-2n1 75589665 573641342 /nfs/dbraw/zinc/64/13/42/573641342.db2.gz MZQCZNLPRHLKPE-UHFFFAOYSA-N 0 0 192.222 1.543 10 0 ADAERN C[C@H]1C(=O)CCCC[C@H]1O 238461615 573641355 /nfs/dbraw/zinc/64/13/55/573641355.db2.gz CAOVBUXIWXLHEL-RNFRBKRXSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)c1sc(C)cc1N 75590709 573641363 /nfs/dbraw/zinc/64/13/63/573641363.db2.gz MCXIAYQQPAZVSH-UHFFFAOYSA-N 0 0 155.222 1.841 10 0 ADAERN CCc1nc([C@H]2C[C@H]2C)[nH]c(=O)c1C 83806118 573642827 /nfs/dbraw/zinc/64/28/27/573642827.db2.gz YDWWSLHADSFFML-SVRRBLITSA-N 0 0 192.262 1.764 10 0 ADAERN Cc1cc(NC(=O)/C=C/Cl)n(C)n1 238461666 573641392 /nfs/dbraw/zinc/64/13/92/573641392.db2.gz ZTOSFSAFYSKJMY-ONEGZZNKSA-N 0 0 199.641 1.420 10 0 ADAERN C/C=C/C=C/C(=O)N[C@H]1CCCC1=O 716033997 573641393 /nfs/dbraw/zinc/64/13/93/573641393.db2.gz BRWHQRBEJLVNPI-UGGZZNARSA-N 0 0 193.246 1.357 10 0 ADAERN COC[C@H](C)[C@H](C)n1cncc1CO 308652341 573641415 /nfs/dbraw/zinc/64/14/15/573641415.db2.gz LDDNSYAYTDYIHV-IUCAKERBSA-N 0 0 198.266 1.219 10 0 ADAERN Cc1cc(C[C@@H](C)O)c(O)c(C)c1O 75599179 573641416 /nfs/dbraw/zinc/64/14/16/573641416.db2.gz GDJFOHOKYKORFC-SSDOTTSWSA-N 0 0 196.246 1.638 10 0 ADAERN CC[C@H](CCCO)[C@@H](C)O 78820672 573641434 /nfs/dbraw/zinc/64/14/34/573641434.db2.gz XFRSHJSIVZJQDL-HTQZYQBOSA-N 0 0 146.230 1.166 10 0 ADAERN CCn1cc(Br)[nH]c1=O 257845678 573641436 /nfs/dbraw/zinc/64/14/36/573641436.db2.gz AFYAIXALCUDTQK-UHFFFAOYSA-N 0 0 191.028 1.371 10 0 ADAERN CCc1ccnc2occ(N)c12 75585141 573641453 /nfs/dbraw/zinc/64/14/53/573641453.db2.gz QSFNLGMEAZTKIY-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN C[C@H]1CC(C)(C)[NH2+]C[C@H]1C(=O)[O-] 238461655 573641463 /nfs/dbraw/zinc/64/14/63/573641463.db2.gz ZKQYTAFOAPWIMM-NKWVEPMBSA-N 0 0 171.240 1.095 10 0 ADAERN Cc1cc(O)cc([C@H]([NH3+])[C@H](C)O)c1 238461533 573641468 /nfs/dbraw/zinc/64/14/68/573641468.db2.gz XDNPWRHCAFDRNX-OIBJUYFYSA-N 0 0 181.235 1.081 10 0 ADAERN C[C@@]1(c2nnc(C=O)s2)CCOC1 257845011 573641469 /nfs/dbraw/zinc/64/14/69/573641469.db2.gz CVFPVCIGXLWMSH-MRVPVSSYSA-N 0 0 198.247 1.029 10 0 ADAERN C[C@H]1CC(C)(C)NC1=S 238461593 573641480 /nfs/dbraw/zinc/64/14/80/573641480.db2.gz XOODFPXWTLVWDM-YFKPBYRVSA-N 0 0 143.255 1.722 10 0 ADAERN CN1CCC(=O)[C@@H]1c1cccc(N)c1 257845003 573641484 /nfs/dbraw/zinc/64/14/84/573641484.db2.gz NJYFGBPKFMERAJ-NSHDSACASA-N 0 0 190.246 1.215 10 0 ADAERN C[C@@H]1[C@H](O)CC[C@@H](CO)C1(C)C 238461856 573641489 /nfs/dbraw/zinc/64/14/89/573641489.db2.gz FBWLNXWCAHLWSJ-HRDYMLBCSA-N 0 0 172.268 1.412 10 0 ADAERN CCn1c(C)cnc1COC 257845691 573641513 /nfs/dbraw/zinc/64/15/13/573641513.db2.gz AHBRNSQKUFEFNK-UHFFFAOYSA-N 0 0 154.213 1.358 10 0 ADAERN COC(=O)[C@@H]1[C@H](OC)C12CCCCC2 259538681 573641536 /nfs/dbraw/zinc/64/15/36/573641536.db2.gz GAIDJOIRDNEPMA-IUCAKERBSA-N 0 0 198.262 1.755 10 0 ADAERN Cc1ccc(OC(=O)NC(N)=O)cc1 238462033 573641551 /nfs/dbraw/zinc/64/15/51/573641551.db2.gz BSBOERCAIOUPOJ-UHFFFAOYSA-N 0 0 194.190 1.162 10 0 ADAERN Cc1nn(C)c2cc(C=O)cc(F)c12 259536572 573641570 /nfs/dbraw/zinc/64/15/70/573641570.db2.gz SFKRHDLGWMVWBO-UHFFFAOYSA-N 0 0 192.193 1.833 10 0 ADAERN CC(C)=C[C@H](C)OCCO 238461349 573641589 /nfs/dbraw/zinc/64/15/89/573641589.db2.gz WICNTNKCNLHKOW-QMMMGPOBSA-N 0 0 144.214 1.350 10 0 ADAERN Cc1ccc(C)n2c[nH+]cc12 238461438 573641591 /nfs/dbraw/zinc/64/15/91/573641591.db2.gz JYOATVXRNMOMQF-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN C[NH+](C)C[C@@]1(F)CC[C@@H](C(=O)[O-])C1 257844987 573641600 /nfs/dbraw/zinc/64/16/00/573641600.db2.gz NJNVVBFMQFPOMJ-VXNVDRBHSA-N 0 0 189.230 1.141 10 0 ADAERN Cc1ccc(C)n2c(N)c[nH+]c12 238461333 573641616 /nfs/dbraw/zinc/64/16/16/573641616.db2.gz OYLBDWMVHVSCOP-UHFFFAOYSA-N 0 0 161.208 1.533 10 0 ADAERN CC(C)(CCO)c1cc[nH]c1 86832289 573641618 /nfs/dbraw/zinc/64/16/18/573641618.db2.gz ULJTUEOQQCXGKE-UHFFFAOYSA-N 0 0 153.225 1.675 10 0 ADAERN C[C@]1(O)COc2ccccc2C1=O 238461329 573641632 /nfs/dbraw/zinc/64/16/32/573641632.db2.gz CYPTVRVQDISABX-JTQLQIEISA-N 0 0 178.187 1.013 10 0 ADAERN CO[C@H]1CC[C@@H](n2cc(N)c(C)n2)C1 224461148 573642837 /nfs/dbraw/zinc/64/28/37/573642837.db2.gz VNIWLXFQMXGBRP-BDAKNGLRSA-N 0 0 195.266 1.514 10 0 ADAERN CC1(C)CCCc2cc(=O)[nH]nc21 86844925 573641734 /nfs/dbraw/zinc/64/17/34/573641734.db2.gz MEGJHYAFHXPPEE-UHFFFAOYSA-N 0 0 178.235 1.384 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]([NH3+])C(C)(C)C 259537822 573641741 /nfs/dbraw/zinc/64/17/41/573641741.db2.gz WUNZRPJBXDAZDJ-XPUUQOCRSA-N 0 0 173.256 1.471 10 0 ADAERN CCn1cc(C(=O)[C@H]2C[C@H]2C)cn1 83806519 573641750 /nfs/dbraw/zinc/64/17/50/573641750.db2.gz MLJHQPIBMNXMBG-APPZFPTMSA-N 0 0 178.235 1.742 10 0 ADAERN CCc1c(O)nc([C@H]2C[C@@H]2C)[nH]c1=O 83806128 573641767 /nfs/dbraw/zinc/64/17/67/573641767.db2.gz ATZYOEPTDHGKMC-FSPLSTOPSA-N 0 0 194.234 1.161 10 0 ADAERN C[C@@H](O)CC(C)(C)Cn1cc[nH]c1=O 393545162 573641793 /nfs/dbraw/zinc/64/17/93/573641793.db2.gz JKBQMUGSSXOBTR-MRVPVSSYSA-N 0 0 198.266 1.386 10 0 ADAERN CCc1oc(CCO)cc1C(=O)OC 238293763 573641803 /nfs/dbraw/zinc/64/18/03/573641803.db2.gz VXXIMYQVBOVQIK-UHFFFAOYSA-N 0 0 198.218 1.163 10 0 ADAERN CCc1[nH]c(C2CC2)nc1C(=O)OC 259536402 573641804 /nfs/dbraw/zinc/64/18/04/573641804.db2.gz UOKCWCHXWTXIDV-UHFFFAOYSA-N 0 0 194.234 1.636 10 0 ADAERN CO[C@H](C)c1cccc(CO)c1 259538497 573641812 /nfs/dbraw/zinc/64/18/12/573641812.db2.gz UVUDFGKCGIQALH-MRVPVSSYSA-N 0 0 166.220 1.886 10 0 ADAERN CC(C)(ON)C1CCCC1 259541724 573641826 /nfs/dbraw/zinc/64/18/26/573641826.db2.gz VKCDKNMQCXNKNS-UHFFFAOYSA-N 0 0 143.230 1.846 10 0 ADAERN CC(=O)OC1(C(C)=O)CCCC1 198401066 573641832 /nfs/dbraw/zinc/64/18/32/573641832.db2.gz ZGCNWBJTHKLTBA-UHFFFAOYSA-N 0 0 170.208 1.451 10 0 ADAERN CCCc1cc(=O)[nH]c([C@H]2C[C@@H]2C)n1 83806013 573641854 /nfs/dbraw/zinc/64/18/54/573641854.db2.gz VACPTKCPOHIYEQ-CBAPKCEASA-N 0 0 192.262 1.846 10 0 ADAERN CCOc1ccncc1C[C@@H](C)CO 308652502 573641865 /nfs/dbraw/zinc/64/18/65/573641865.db2.gz LEMCOWHHMJVFAP-SECBINFHSA-N 0 0 195.262 1.651 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1cncnc1 83807036 573641868 /nfs/dbraw/zinc/64/18/68/573641868.db2.gz VKAFZHBMRPMUIV-POYBYMJQSA-N 0 0 162.192 1.315 10 0 ADAERN CC[C@H]1[C@H](C(=O)[O-])C2CC[NH+]1CC2 259538538 573641873 /nfs/dbraw/zinc/64/18/73/573641873.db2.gz BPTCOGHPTQVALV-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN CCc1c(N)nc([C@@H]2C[C@@H]2C)[nH]c1=O 83805916 573641926 /nfs/dbraw/zinc/64/19/26/573641926.db2.gz CWCZRPBBCFNUHI-CAHLUQPWSA-N 0 0 193.250 1.038 10 0 ADAERN O=C1CCSCC12CC2 82409632 573641932 /nfs/dbraw/zinc/64/19/32/573641932.db2.gz SONWQHGYOLLAEK-UHFFFAOYSA-N 0 0 142.223 1.473 10 0 ADAERN CO[C@H]1CC[C@H](n2cc(N)c(C)n2)C1 224461192 573641937 /nfs/dbraw/zinc/64/19/37/573641937.db2.gz VNIWLXFQMXGBRP-IUCAKERBSA-N 0 0 195.266 1.514 10 0 ADAERN CCc1nc([C@@H]2C[C@H]2C)[nH]c(=O)c1C 83806116 573641940 /nfs/dbraw/zinc/64/19/40/573641940.db2.gz YDWWSLHADSFFML-HTRCEHHLSA-N 0 0 192.262 1.764 10 0 ADAERN Cc1cnc(N)c(C(=O)[C@@H]2C[C@@H]2C)c1 83806952 573641955 /nfs/dbraw/zinc/64/19/55/573641955.db2.gz PPBQVNSWUXSLSH-JGVFFNPUSA-N 0 0 190.246 1.811 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cccnc1 83806876 573641992 /nfs/dbraw/zinc/64/19/92/573641992.db2.gz MONNVZPRJDUEJI-CBAPKCEASA-N 0 0 161.204 1.920 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1cnn(C)c1 83806909 573642024 /nfs/dbraw/zinc/64/20/24/573642024.db2.gz AXBNWZJCLMXXLK-IONNQARKSA-N 0 0 178.235 1.188 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]([NH3+])C(C)(C)C 259537810 573642026 /nfs/dbraw/zinc/64/20/26/573642026.db2.gz WUNZRPJBXDAZDJ-HTRCEHHLSA-N 0 0 173.256 1.471 10 0 ADAERN C[C@H]1C[C@H]1c1nc(C2CC2)cc(=O)[nH]1 83806107 573642029 /nfs/dbraw/zinc/64/20/29/573642029.db2.gz PXGJASSTPXUXMA-POYBYMJQSA-N 0 0 190.246 1.771 10 0 ADAERN C[C@@H]1C[C@@H](NCCCC2CC2)C(=O)O1 308650968 573642033 /nfs/dbraw/zinc/64/20/33/573642033.db2.gz KLKXZQNPHBIFQT-PSASIEDQSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cncnc1 83807033 573642089 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BEVVEOGJORAVET-UHFFFAOYSA-N 0 0 197.307 1.613 10 0 ADAERN CO[C@H](C)c1cccc(CCON)c1 259540432 573644752 /nfs/dbraw/zinc/64/47/52/573644752.db2.gz UYURNLYGJDCQGR-SECBINFHSA-N 0 0 195.262 1.827 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2C)[nH]c(=O)c1C 83806053 573644761 /nfs/dbraw/zinc/64/47/61/573644761.db2.gz JSUUKVUZFRQCJA-SVGQVSJJSA-N 0 0 178.235 1.510 10 0 ADAERN CO[C@@H]1CCC[C@@H]1NCc1ccon1 308653035 573644778 /nfs/dbraw/zinc/64/47/78/573644778.db2.gz LOPOGTGJTPBVFJ-VHSXEESVSA-N 0 0 196.250 1.332 10 0 ADAERN CC1(C)CCC[C@@H](n2ccnc2)[C@H]1O 86846626 573644796 /nfs/dbraw/zinc/64/47/96/573644796.db2.gz LBMXMHPUDVBIHA-NXEZZACHSA-N 0 0 194.278 1.995 10 0 ADAERN CCC(=O)[C@H](C)OCC(F)F 130681069 573644825 /nfs/dbraw/zinc/64/48/25/573644825.db2.gz IVAFLNSZXBTQNN-YFKPBYRVSA-N 0 0 166.167 1.636 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@]1(F)CCC[N@H+](C)C1 257839777 573644951 /nfs/dbraw/zinc/64/49/51/573644951.db2.gz LRTOLIOKVYKMGO-IONNQARKSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@H]1C[C@@H]1c1ncc(N)cn1 83805948 573644844 /nfs/dbraw/zinc/64/48/44/573644844.db2.gz PVSJFKCTUIUNLS-FSPLSTOPSA-N 0 0 149.197 1.182 10 0 ADAERN C[C@@H]1C[C@H]1c1nc2c(c(=O)[nH]1)CCC2 83806068 573644848 /nfs/dbraw/zinc/64/48/48/573644848.db2.gz ZFYSNIXFASIBGT-HTRCEHHLSA-N 0 0 190.246 1.382 10 0 ADAERN C[C@@H]([NH3+])c1n[nH]cc1C1CC1 257838739 573644874 /nfs/dbraw/zinc/64/48/74/573644874.db2.gz NAIQHGSNGZWVAR-RXMQYKEDSA-N 0 0 151.213 1.307 10 0 ADAERN C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C12CCC2 107781558 573644879 /nfs/dbraw/zinc/64/48/79/573644879.db2.gz QQHUXCNICBUMRZ-SFYZADRCSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@H](O)Cc1cccc(F)c1N(C)C 259540731 573644892 /nfs/dbraw/zinc/64/48/92/573644892.db2.gz VDAZJXNDZGETSH-QMMMGPOBSA-N 0 0 197.253 1.815 10 0 ADAERN CCc1nc([C@H]2C[C@@H]2C)[nH]c(=O)c1C 83806115 573644907 /nfs/dbraw/zinc/64/49/07/573644907.db2.gz YDWWSLHADSFFML-XPUUQOCRSA-N 0 0 192.262 1.764 10 0 ADAERN OCCCc1ncc2c(F)cccn12 257839764 573644919 /nfs/dbraw/zinc/64/49/19/573644919.db2.gz LRGYYDIFHDELRM-UHFFFAOYSA-N 0 0 194.209 1.398 10 0 ADAERN CC[C@@H](C)C(=O)COCC(F)F 130681296 573644925 /nfs/dbraw/zinc/64/49/25/573644925.db2.gz ROVRIVBWYVVWSZ-ZCFIWIBFSA-N 0 0 180.194 1.883 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)[C@@H]1CCOC1 83806374 573644945 /nfs/dbraw/zinc/64/49/45/573644945.db2.gz JTNOOCUPKNKZFL-BWZBUEFSSA-N 0 0 154.209 1.248 10 0 ADAERN C[C@H]1CCc2cccc(CO)c2N1 238464026 573644960 /nfs/dbraw/zinc/64/49/60/573644960.db2.gz VMGVUCMVPVMORU-QMMMGPOBSA-N 0 0 177.247 1.926 10 0 ADAERN CN(CC(C)(C)CO)c1cccnc1 258834737 573644966 /nfs/dbraw/zinc/64/49/66/573644966.db2.gz MMJCDVRXRNBXCF-UHFFFAOYSA-N 0 0 194.278 1.536 10 0 ADAERN C[C@@H](CO)c1ccc(O)c(N)c1 259540407 573644978 /nfs/dbraw/zinc/64/49/78/573644978.db2.gz UYMPGSYVANDVPO-LURJTMIESA-N 0 0 167.208 1.070 10 0 ADAERN CCOC[C@@H](O)Cn1c(C)ccc1C 308654082 573644985 /nfs/dbraw/zinc/64/49/85/573644985.db2.gz MIFTZJDZRALJSV-NSHDSACASA-N 0 0 197.278 1.502 10 0 ADAERN CCn1ccnc1C(=O)[C@H]1C[C@@H]1C 83807119 573645046 /nfs/dbraw/zinc/64/50/46/573645046.db2.gz WZXGXOTWZZIICA-YUMQZZPRSA-N 0 0 178.235 1.742 10 0 ADAERN Cc1ccc([C@@]2(C)CNC(=O)N2)cc1 257838513 573645012 /nfs/dbraw/zinc/64/50/12/573645012.db2.gz LHWOKGAXPCHPAL-LLVKDONJSA-N 0 0 190.246 1.523 10 0 ADAERN Cc1nonc1CNCc1ccoc1 130657110 573645015 /nfs/dbraw/zinc/64/50/15/573645015.db2.gz NZWNNTMDESRZOH-UHFFFAOYSA-N 0 0 193.206 1.261 10 0 ADAERN C[C@]1(c2ccccc2O)CNC(=O)C1 257838712 573645034 /nfs/dbraw/zinc/64/50/34/573645034.db2.gz LLXWBQFRZQLQFZ-LLVKDONJSA-N 0 0 191.230 1.170 10 0 ADAERN CC[C@H]1C[NH2+]C[C@H](C(=O)[O-])C12CCC2 107781348 573645051 /nfs/dbraw/zinc/64/50/51/573645051.db2.gz NTUBKFCNOXGLBS-DTWKUNHWSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2C[C@@H]2C)n1 83806003 573645056 /nfs/dbraw/zinc/64/50/56/573645056.db2.gz GLBHTUHGDOPWGQ-CAHLUQPWSA-N 0 0 164.208 1.202 10 0 ADAERN CN[C@H](C)c1nc([C@@H]2C[C@@H]2C)no1 83805689 573645068 /nfs/dbraw/zinc/64/50/68/573645068.db2.gz UYUBEOPVSAMSDG-RRKCRQDMSA-N 0 0 181.239 1.473 10 0 ADAERN CCC[C@@H]1[C@@H](C(=O)[O-])C[C@@H]2CC[C@H]1[NH2+]2 258075080 573645069 /nfs/dbraw/zinc/64/50/69/573645069.db2.gz LVVULPRMNRVTGE-QCLAVDOMSA-N 0 0 197.278 1.628 10 0 ADAERN Cc1cc(C=O)cc2nc[nH]c12 238463417 573645082 /nfs/dbraw/zinc/64/50/82/573645082.db2.gz QZRVUYQRZXILOV-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN C[C@H]1CC(C)(C)[C@H](O)O1 238462893 573645101 /nfs/dbraw/zinc/64/51/01/573645101.db2.gz OIKCRJHAOUVCBC-NTSWFWBYSA-N 0 0 130.187 1.140 10 0 ADAERN CC[C@@H]1CC[C@H](c2noc(CO)n2)C1 83803798 573645102 /nfs/dbraw/zinc/64/51/02/573645102.db2.gz NWVZZFLQAUFVHX-SFYZADRCSA-N 0 0 196.250 1.856 10 0 ADAERN CCCn1ncc(C=O)c1Cl 259541137 573645103 /nfs/dbraw/zinc/64/51/03/573645103.db2.gz BTVAHJLXTSXVFP-UHFFFAOYSA-N 0 0 172.615 1.759 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2C[C@H]2C)n1 83806007 573645111 /nfs/dbraw/zinc/64/51/11/573645111.db2.gz GLBHTUHGDOPWGQ-IYSWYEEDSA-N 0 0 164.208 1.202 10 0 ADAERN C[C@@H](N)c1nc([C@@H]2CCCN2C)co1 257839572 573645118 /nfs/dbraw/zinc/64/51/18/573645118.db2.gz BIAOKIHZGGDUKD-APPZFPTMSA-N 0 0 195.266 1.461 10 0 ADAERN CCn1nccc1C(=O)[C@H]1C[C@@H]1C 83806590 573645128 /nfs/dbraw/zinc/64/51/28/573645128.db2.gz PUDFMKBYZJEXBH-YUMQZZPRSA-N 0 0 178.235 1.742 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc([C@H](N)C2CC2)n1 83805692 573645197 /nfs/dbraw/zinc/64/51/97/573645197.db2.gz PKFFNFVXGQZTQB-MHSYXAOVSA-N 0 0 193.250 1.603 10 0 ADAERN C[C@H](CO)c1cncs1 259150836 573645204 /nfs/dbraw/zinc/64/52/04/573645204.db2.gz HXGVIMXVXHJGGT-RXMQYKEDSA-N 0 0 143.211 1.239 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]1[NH2+][C@@H]1CC=CCC1 236439227 573646184 /nfs/dbraw/zinc/64/61/84/573646184.db2.gz KYSFTQJAPVSUEA-OPRDCNLKSA-N 0 0 195.262 1.548 10 0 ADAERN COC[C@H]1CC[C@](O)(C(F)(F)F)C1 107784870 573645257 /nfs/dbraw/zinc/64/52/57/573645257.db2.gz HWXXYXMUENIJJF-NKWVEPMBSA-N 0 0 198.184 1.726 10 0 ADAERN C[C@@H]1C[C@@H]1c1ncc(N)cn1 83805946 573645253 /nfs/dbraw/zinc/64/52/53/573645253.db2.gz PVSJFKCTUIUNLS-VDTYLAMSSA-N 0 0 149.197 1.182 10 0 ADAERN COCc1cc(=O)[nH]c([C@@H]2C[C@H]2C)n1 83806082 573645279 /nfs/dbraw/zinc/64/52/79/573645279.db2.gz MZCRIYQPLAQSHC-HTRCEHHLSA-N 0 0 194.234 1.040 10 0 ADAERN CO[C@@H](C)C(=O)Cc1ccoc1 130670798 573645284 /nfs/dbraw/zinc/64/52/84/573645284.db2.gz GHDBPBSZJDTPOU-ZETCQYMHSA-N 0 0 168.192 1.426 10 0 ADAERN C/C(=C\c1ccccc1)[C@@H](O)[C@@H](C)O 238463624 573645288 /nfs/dbraw/zinc/64/52/88/573645288.db2.gz UONPFMPAOYHEPH-VCXMCINHSA-N 0 0 192.258 1.832 10 0 ADAERN CNC(=O)C[C@@H]([NH3+])c1sccc1C 259152650 573645291 /nfs/dbraw/zinc/64/52/91/573645291.db2.gz UVRLHTMFFUUAIX-SSDOTTSWSA-N 0 0 198.291 1.192 10 0 ADAERN Cc1[nH]cc(C(F)F)c(=O)c1C=O 238463160 573645293 /nfs/dbraw/zinc/64/52/93/573645293.db2.gz QAKWIXPZTVOBRO-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CC1(C)CC(=O)CN1Cc1ccco1 258834995 573645298 /nfs/dbraw/zinc/64/52/98/573645298.db2.gz PKPDBZFSHIUXEW-UHFFFAOYSA-N 0 0 193.246 1.833 10 0 ADAERN CC[C@@H]([C@@H](C(=O)[O-])C(C)C)[NH+](C)C 259539700 573645305 /nfs/dbraw/zinc/64/53/05/573645305.db2.gz NRBOZASIQASUAM-IUCAKERBSA-N 0 0 187.283 1.683 10 0 ADAERN C[C@H]1c2ccncc2C[C@H]1O 238462793 573645306 /nfs/dbraw/zinc/64/53/06/573645306.db2.gz WPVFTFDSKREJTP-IMTBSYHQSA-N 0 0 149.193 1.102 10 0 ADAERN CNCC(F)(F)C[C@H]1CCCOC1 257838565 573645309 /nfs/dbraw/zinc/64/53/09/573645309.db2.gz LJFGCZUUFOMYHW-MRVPVSSYSA-N 0 0 193.237 1.658 10 0 ADAERN COC(=O)CNc1ccc(C)o1 258832617 573645311 /nfs/dbraw/zinc/64/53/11/573645311.db2.gz BIZZHWBKOYIYFP-UHFFFAOYSA-N 0 0 169.180 1.173 10 0 ADAERN C[C@@H]1[C@H]2C(=O)C(C)(C)C(=O)[C@@]12C 238463843 573645313 /nfs/dbraw/zinc/64/53/13/573645313.db2.gz QQTREWQNTQVXTP-KORWRZNCSA-N 0 0 166.220 1.437 10 0 ADAERN Cn1cc(CON)c2ccc(O)cc21 258075081 573645320 /nfs/dbraw/zinc/64/53/20/573645320.db2.gz HCUZUINTRFKPKR-UHFFFAOYSA-N 0 0 192.218 1.274 10 0 ADAERN CC(=O)CC1(c2ccccc2)COC1 258829215 573645325 /nfs/dbraw/zinc/64/53/25/573645325.db2.gz ZKVOMHWJFMFAPN-UHFFFAOYSA-N 0 0 190.242 1.934 10 0 ADAERN O=C(NCCC1CCC1)C1(CO)CC1 258828674 573645342 /nfs/dbraw/zinc/64/53/42/573645342.db2.gz BXZUFCCZOUGRRE-UHFFFAOYSA-N 0 0 197.278 1.065 10 0 ADAERN CCc1c(C)nc([C@@H]2C[C@@H]2C)[nH]c1=O 83806056 573645345 /nfs/dbraw/zinc/64/53/45/573645345.db2.gz OIACZUBJSLPSST-IMTBSYHQSA-N 0 0 192.262 1.764 10 0 ADAERN C[C@@H](O)Cc1cccc(F)c1N(C)C 259540727 573645360 /nfs/dbraw/zinc/64/53/60/573645360.db2.gz VDAZJXNDZGETSH-MRVPVSSYSA-N 0 0 197.253 1.815 10 0 ADAERN OC[C@H]1CCSCC[C@@H]1F 259540168 573645382 /nfs/dbraw/zinc/64/53/82/573645382.db2.gz BFWSUMBROBJOGZ-RQJHMYQMSA-N 0 0 164.245 1.460 10 0 ADAERN C[C@@H]1[C@H](O)[C@@H]1c1ccccc1 238463283 573645395 /nfs/dbraw/zinc/64/53/95/573645395.db2.gz QXAPMZJFIXHCSD-HGNGGELXSA-N 0 0 148.205 1.781 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1cncnc1 83807034 573645402 /nfs/dbraw/zinc/64/54/02/573645402.db2.gz VKAFZHBMRPMUIV-HTRCEHHLSA-N 0 0 162.192 1.315 10 0 ADAERN CC1(C)CCCC[C@]12CC(=O)NC2=O 86844599 573645420 /nfs/dbraw/zinc/64/54/20/573645420.db2.gz XOSJUGCAKRHLIY-LLVKDONJSA-N 0 0 195.262 1.620 10 0 ADAERN Nc1c[nH]c2c(F)cccc2c1=O 259541140 573645430 /nfs/dbraw/zinc/64/54/30/573645430.db2.gz BTYLLKSTKIJMDF-UHFFFAOYSA-N 0 0 178.166 1.662 10 0 ADAERN CCCc1cc(=O)[nH]c([C@@H]2C[C@@H]2C)n1 83806011 573645443 /nfs/dbraw/zinc/64/54/43/573645443.db2.gz VACPTKCPOHIYEQ-IONNQARKSA-N 0 0 192.262 1.846 10 0 ADAERN CCOC(=O)CN(C)c1cccs1 259151229 573645448 /nfs/dbraw/zinc/64/54/48/573645448.db2.gz SICWNMSDDYMZQW-UHFFFAOYSA-N 0 0 199.275 1.747 10 0 ADAERN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C1CC1 236438461 573645453 /nfs/dbraw/zinc/64/54/53/573645453.db2.gz OBEVDGVUWJATDS-QNSHHTMESA-N 0 0 195.262 1.334 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)C1CC1 83806754 573645460 /nfs/dbraw/zinc/64/54/60/573645460.db2.gz ZXYJNWUZZITFME-IYSWYEEDSA-N 0 0 124.183 1.622 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Cc1cccnc1N 83806610 573645468 /nfs/dbraw/zinc/64/54/68/573645468.db2.gz WEDRHPKDKDAUOG-VXNVDRBHSA-N 0 0 190.246 1.431 10 0 ADAERN CCc1c(N)nc([C@H]2C[C@@H]2C)[nH]c1=O 83805918 573645503 /nfs/dbraw/zinc/64/55/03/573645503.db2.gz CWCZRPBBCFNUHI-FSPLSTOPSA-N 0 0 193.250 1.038 10 0 ADAERN CCO[C@@H]1CCCC(C)(C)[C@@H]1O 86846760 573645504 /nfs/dbraw/zinc/64/55/04/573645504.db2.gz IAZMPRGPJFJLKD-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN C[NH+]1CCC(C[C@@H](F)C(=O)[O-])CC1 257838748 573645508 /nfs/dbraw/zinc/64/55/08/573645508.db2.gz LMXOOPJUQZTVIJ-MRVPVSSYSA-N 0 0 189.230 1.141 10 0 ADAERN COC(C)(C)C(=O)Cc1ccoc1 130668809 573645513 /nfs/dbraw/zinc/64/55/13/573645513.db2.gz DJRGFDMNQGBUGL-UHFFFAOYSA-N 0 0 182.219 1.816 10 0 ADAERN CO[C@@H](C)Cc1ccccc1CCO 259540735 573645514 /nfs/dbraw/zinc/64/55/14/573645514.db2.gz VDFURZOXKFYELS-JTQLQIEISA-N 0 0 194.274 1.799 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)C1CCOCC1 83806938 573645527 /nfs/dbraw/zinc/64/55/27/573645527.db2.gz GXSOCFWNQFLIJX-APPZFPTMSA-N 0 0 168.236 1.638 10 0 ADAERN CCO[C@@H]1CCCC(C)(C)[C@H]1O 86846763 573645549 /nfs/dbraw/zinc/64/55/49/573645549.db2.gz IAZMPRGPJFJLKD-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1cnn(C)c1 83806906 573645554 /nfs/dbraw/zinc/64/55/54/573645554.db2.gz AXBNWZJCLMXXLK-CBAPKCEASA-N 0 0 178.235 1.188 10 0 ADAERN C[N@H+](CO)Cc1ccc2c(c1)CCC2 258830385 573645577 /nfs/dbraw/zinc/64/55/77/573645577.db2.gz BHNQFCVZKXGCIX-UHFFFAOYSA-N 0 0 191.274 1.557 10 0 ADAERN Cc1c[nH]c(CC(C)(C)C(=O)[O-])n1 259152255 573645589 /nfs/dbraw/zinc/64/55/89/573645589.db2.gz SQMMVJKDUPAKKO-UHFFFAOYSA-N 0 0 182.223 1.371 10 0 ADAERN N=C(N)C(F)(F)c1ccc(F)cc1 259541316 573645620 /nfs/dbraw/zinc/64/56/20/573645620.db2.gz BVUZTNCZDDGCAJ-UHFFFAOYSA-N 0 0 188.152 1.853 10 0 ADAERN CC1(C)CCC[C@@H](n2ccnc2)[C@@H]1O 86846618 573645621 /nfs/dbraw/zinc/64/56/21/573645621.db2.gz LBMXMHPUDVBIHA-ZJUUUORDSA-N 0 0 194.278 1.995 10 0 ADAERN C[C@@H]1C[C@@H]1c1nsc(N)n1 83805996 573645635 /nfs/dbraw/zinc/64/56/35/573645635.db2.gz JNEVDNCFOWNQBT-DMTCNVIQSA-N 0 0 155.226 1.244 10 0 ADAERN CCn1nccc1C(=O)[C@@H]1C[C@@H]1C 83806588 573645644 /nfs/dbraw/zinc/64/56/44/573645644.db2.gz PUDFMKBYZJEXBH-JGVFFNPUSA-N 0 0 178.235 1.742 10 0 ADAERN C[C@H](O)[C@H](F)CC1CC1 257839235 573645647 /nfs/dbraw/zinc/64/56/47/573645647.db2.gz NGPIPWDPNFSPQF-CAHLUQPWSA-N 0 0 132.178 1.505 10 0 ADAERN CCN1CCNc2cccc(OC)c21 259150725 573645654 /nfs/dbraw/zinc/64/56/54/573645654.db2.gz HVJQHLYNGBRAOL-UHFFFAOYSA-N 0 0 192.262 1.947 10 0 ADAERN Cc1ccc([C@H]2NCCCC2=O)cc1 258829603 573645676 /nfs/dbraw/zinc/64/56/76/573645676.db2.gz JDMWREFUMUNIFF-GFCCVEGCSA-N 0 0 189.258 1.989 10 0 ADAERN C[C@@H](Nc1ccncc1Cl)C(N)=O 86833052 573645693 /nfs/dbraw/zinc/64/56/93/573645693.db2.gz CKXVDVOVKREFMV-RXMQYKEDSA-N 0 0 199.641 1.021 10 0 ADAERN C=Cc1nc([C@H]2C[C@@H]2C)no1 83804849 573645695 /nfs/dbraw/zinc/64/56/95/573645695.db2.gz HIEROUCOEIRNRH-WDSKDSINSA-N 0 0 150.181 1.836 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC=CCC1 236436043 573645708 /nfs/dbraw/zinc/64/57/08/573645708.db2.gz KYSFTQJAPVSUEA-BBBLOLIVSA-N 0 0 195.262 1.548 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)C1CCOCC1 83806940 573645721 /nfs/dbraw/zinc/64/57/21/573645721.db2.gz GXSOCFWNQFLIJX-CBAPKCEASA-N 0 0 168.236 1.638 10 0 ADAERN Nc1cc(CC2CCSCC2)on1 259150851 573645797 /nfs/dbraw/zinc/64/57/97/573645797.db2.gz HXMAPLITENUXDW-UHFFFAOYSA-N 0 0 198.291 1.943 10 0 ADAERN OCCCC1(c2ccncc2)COC1 258831417 573646711 /nfs/dbraw/zinc/64/67/11/573646711.db2.gz PHIPKGWPALRNQA-UHFFFAOYSA-N 0 0 193.246 1.122 10 0 ADAERN C=Cc1nc([C@@H]2C[C@H]2C)no1 83804851 573646712 /nfs/dbraw/zinc/64/67/12/573646712.db2.gz HIEROUCOEIRNRH-PHDIDXHHSA-N 0 0 150.181 1.836 10 0 ADAERN Cc1c(Cl)c(N)nc2[nH]nc(N)c12 75600200 573645815 /nfs/dbraw/zinc/64/58/15/573645815.db2.gz WMPJQGCRVQHQGF-UHFFFAOYSA-N 0 0 197.629 1.084 10 0 ADAERN CC1(c2ccc(N)cc2)OCCO1 107769014 573645818 /nfs/dbraw/zinc/64/58/18/573645818.db2.gz WSAMNDBLMQFDFE-UHFFFAOYSA-N 0 0 179.219 1.488 10 0 ADAERN COC(=O)C1CC2(CCCOC2)C1 259540264 573645819 /nfs/dbraw/zinc/64/58/19/573645819.db2.gz GGRHFHBNRRBIER-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN CCC(=O)c1cccc(OC)c1O 107747254 573645826 /nfs/dbraw/zinc/64/58/26/573645826.db2.gz XGCAJDHHFMCFRV-UHFFFAOYSA-N 0 0 180.203 1.994 10 0 ADAERN C[C@H]([NH3+])c1n[nH]cc1C1CC1 257838741 573645833 /nfs/dbraw/zinc/64/58/33/573645833.db2.gz NAIQHGSNGZWVAR-YFKPBYRVSA-N 0 0 151.213 1.307 10 0 ADAERN CNC(C)(C)c1nc([C@@H]2C[C@H]2C)no1 83805574 573645837 /nfs/dbraw/zinc/64/58/37/573645837.db2.gz PFQGPIHLPHEIHN-RNFRBKRXSA-N 0 0 195.266 1.648 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(C2CC2)cc(=O)[nH]1 83806103 573645852 /nfs/dbraw/zinc/64/58/52/573645852.db2.gz PXGJASSTPXUXMA-XPUUQOCRSA-N 0 0 190.246 1.771 10 0 ADAERN C[C@@H](C(=O)[O-])[C@]1(F)CCC[N@H+](C)C1 257839776 573645864 /nfs/dbraw/zinc/64/58/64/573645864.db2.gz LRTOLIOKVYKMGO-CBAPKCEASA-N 0 0 189.230 1.141 10 0 ADAERN CCc1cc(=O)[nH]c([C@H]2C[C@H]2C)n1 83806032 573645866 /nfs/dbraw/zinc/64/58/66/573645866.db2.gz WNKAKRUKUOWNEU-SVRRBLITSA-N 0 0 178.235 1.456 10 0 ADAERN COc1cccc([C@H](CCO)ON)c1 257838520 573645903 /nfs/dbraw/zinc/64/59/03/573645903.db2.gz LHZGOODTBDXKNY-JTQLQIEISA-N 0 0 197.234 1.009 10 0 ADAERN C[C@H]([NH2+]Cc1ccoc1)[C@@H](C)C(=O)[O-] 130663184 573645933 /nfs/dbraw/zinc/64/59/33/573645933.db2.gz OLXYOLRJYOQNCI-SFYZADRCSA-N 0 0 197.234 1.478 10 0 ADAERN Cc1ccc2c(c1)c(N)cc(=O)n2C 259541338 573645958 /nfs/dbraw/zinc/64/59/58/573645958.db2.gz BVVHERNXSREXIG-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN C[C@H](N)c1nc([C@@H]2CCCN2C)co1 257839573 573645981 /nfs/dbraw/zinc/64/59/81/573645981.db2.gz BIAOKIHZGGDUKD-CBAPKCEASA-N 0 0 195.266 1.461 10 0 ADAERN COc1cc(N)cc2nn(C)cc12 259540315 573645997 /nfs/dbraw/zinc/64/59/97/573645997.db2.gz SMHWDHXBFHTUJR-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN COCc1cc(=O)[nH]c([C@H]2C[C@@H]2C)n1 83806079 573646016 /nfs/dbraw/zinc/64/60/16/573646016.db2.gz MZCRIYQPLAQSHC-XPUUQOCRSA-N 0 0 194.234 1.040 10 0 ADAERN Cc1ccc([C@]2(C)CNC(=O)N2)cc1 257838515 573646021 /nfs/dbraw/zinc/64/60/21/573646021.db2.gz LHWOKGAXPCHPAL-NSHDSACASA-N 0 0 190.246 1.523 10 0 ADAERN C[C@@]1(c2ncc(C=O)s2)CCOC1 257838897 573646035 /nfs/dbraw/zinc/64/60/35/573646035.db2.gz BBPAKEHMVDMUEG-SECBINFHSA-N 0 0 197.259 1.634 10 0 ADAERN CC[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C12CCC2 107781352 573646721 /nfs/dbraw/zinc/64/67/21/573646721.db2.gz NTUBKFCNOXGLBS-IUCAKERBSA-N 0 0 197.278 1.487 10 0 ADAERN CC(C)(O)C1(C2CCCC2)COC1 258829183 573646048 /nfs/dbraw/zinc/64/60/48/573646048.db2.gz ZKJGMRCMCVHNHS-UHFFFAOYSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1cccnc1N 83806612 573646050 /nfs/dbraw/zinc/64/60/50/573646050.db2.gz WEDRHPKDKDAUOG-IONNQARKSA-N 0 0 190.246 1.431 10 0 ADAERN C[C@@H]1[C@H](O)OC(=O)C12CCCCC2 238462880 573646054 /nfs/dbraw/zinc/64/60/54/573646054.db2.gz XATNWDICIDTTAX-HTQZYQBOSA-N 0 0 184.235 1.448 10 0 ADAERN O=Cc1ccc(OCC(F)F)o1 130678697 573646056 /nfs/dbraw/zinc/64/60/56/573646056.db2.gz WWYCRFPIGBRMDY-UHFFFAOYSA-N 0 0 176.118 1.736 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1cccnc1N 83807147 573646062 /nfs/dbraw/zinc/64/60/62/573646062.db2.gz BQWQZOBUDLHYEH-POYBYMJQSA-N 0 0 176.219 1.503 10 0 ADAERN CCC[C@@H](C)C(=O)OCCC(C)=O 393545980 573646075 /nfs/dbraw/zinc/64/60/75/573646075.db2.gz FXYFQXXLMPWNIR-MRVPVSSYSA-N 0 0 186.251 1.945 10 0 ADAERN CCc1c(N)nc([C@@H]2C[C@H]2C)[nH]c1=O 83805920 573646090 /nfs/dbraw/zinc/64/60/90/573646090.db2.gz CWCZRPBBCFNUHI-IYSWYEEDSA-N 0 0 193.250 1.038 10 0 ADAERN C[C@@H](N)c1nc([C@H]2CCCN2C)co1 257839575 573646092 /nfs/dbraw/zinc/64/60/92/573646092.db2.gz BIAOKIHZGGDUKD-VXNVDRBHSA-N 0 0 195.266 1.461 10 0 ADAERN C[C@H]1C[C@H]1c1nsc(N)n1 83806002 573646120 /nfs/dbraw/zinc/64/61/20/573646120.db2.gz JNEVDNCFOWNQBT-IUYQGCFVSA-N 0 0 155.226 1.244 10 0 ADAERN OC[C@@H]1CCSCC[C@@H]1F 259540148 573646123 /nfs/dbraw/zinc/64/61/23/573646123.db2.gz BFWSUMBROBJOGZ-BQBZGAKWSA-N 0 0 164.245 1.460 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cnccn1 83807128 573646136 /nfs/dbraw/zinc/64/61/36/573646136.db2.gz SALHKYXEQXPJEQ-BQBZGAKWSA-N 0 0 162.192 1.315 10 0 ADAERN CC(C)[C@@H](N)c1nc([C@H]2C[C@H]2C)no1 83805228 573646182 /nfs/dbraw/zinc/64/61/82/573646182.db2.gz SQWMEZBNZJQAFC-GJMOJQLCSA-N 0 0 195.266 1.849 10 0 ADAERN C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C12CCC2 107781553 573646193 /nfs/dbraw/zinc/64/61/93/573646193.db2.gz QQHUXCNICBUMRZ-HTQZYQBOSA-N 0 0 183.251 1.097 10 0 ADAERN CCO[C@H]1CCCC(C)(C)[C@H]1O 86846765 573646211 /nfs/dbraw/zinc/64/62/11/573646211.db2.gz IAZMPRGPJFJLKD-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1ccnn1C 83807260 573646224 /nfs/dbraw/zinc/64/62/24/573646224.db2.gz SFAKXHNLHILKPG-BQBZGAKWSA-N 0 0 164.208 1.259 10 0 ADAERN CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C 43334519 573646252 /nfs/dbraw/zinc/64/62/52/573646252.db2.gz UMRBRMGTVOKSKR-WPRPVWTQSA-N 0 0 182.267 1.620 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1ccoc1 130662599 573646256 /nfs/dbraw/zinc/64/62/56/573646256.db2.gz OLXYOLRJYOQNCI-JGVFFNPUSA-N 0 0 197.234 1.478 10 0 ADAERN C[C@H]1CCC[C@H]2CCNC[N@H+]12 238463067 573646273 /nfs/dbraw/zinc/64/62/73/573646273.db2.gz TWRREPHLPIKLKU-IUCAKERBSA-N 0 0 154.257 1.180 10 0 ADAERN C[C@@H](CC(F)F)Cn1cc(N)nn1 688749592 573647087 /nfs/dbraw/zinc/64/70/87/573647087.db2.gz NVJIYJIEPQSMJW-YFKPBYRVSA-N 0 0 190.197 1.152 10 0 ADAERN COC(=O)[C@@H](F)[C@@H](O)C1CCCC1 257839757 573646302 /nfs/dbraw/zinc/64/63/02/573646302.db2.gz LRCPPSRIONYMRP-YUMQZZPRSA-N 0 0 190.214 1.049 10 0 ADAERN CCc1c(C)nc([C@H]2C[C@@H]2C)[nH]c1=O 83806058 573646343 /nfs/dbraw/zinc/64/63/43/573646343.db2.gz OIACZUBJSLPSST-RCOVLWMOSA-N 0 0 192.262 1.764 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Cc1cnn(C)c1 83806904 573646318 /nfs/dbraw/zinc/64/63/18/573646318.db2.gz AXBNWZJCLMXXLK-APPZFPTMSA-N 0 0 178.235 1.188 10 0 ADAERN CCn1nccc1C(=O)[C@H]1C[C@H]1C 83806594 573646324 /nfs/dbraw/zinc/64/63/24/573646324.db2.gz PUDFMKBYZJEXBH-SFYZADRCSA-N 0 0 178.235 1.742 10 0 ADAERN OC[C@@H]1CC[C@@](O)(C(F)(F)F)C1 107784935 573646366 /nfs/dbraw/zinc/64/63/66/573646366.db2.gz SAEKNDGRXUQCSA-RITPCOANSA-N 0 0 184.157 1.072 10 0 ADAERN CC1(C)CCC[C@@H](n2cncn2)[C@H]1O 86846668 573646368 /nfs/dbraw/zinc/64/63/68/573646368.db2.gz ZNHRACVIAKQJBV-RKDXNWHRSA-N 0 0 195.266 1.390 10 0 ADAERN Cc1cc(=O)[nH]c([C@H]2C[C@H]2C)n1 83806009 573646369 /nfs/dbraw/zinc/64/63/69/573646369.db2.gz GLBHTUHGDOPWGQ-VDTYLAMSSA-N 0 0 164.208 1.202 10 0 ADAERN Cc1cc(NN)c2ccocc1-2 238463636 573646374 /nfs/dbraw/zinc/64/63/74/573646374.db2.gz WKGVJWMTGIHXEQ-UHFFFAOYSA-N 0 0 162.192 1.978 10 0 ADAERN CO[C@H]1CCC[C@H]1NCc1ccon1 308653036 573646731 /nfs/dbraw/zinc/64/67/31/573646731.db2.gz LOPOGTGJTPBVFJ-ZJUUUORDSA-N 0 0 196.250 1.332 10 0 ADAERN CC1(C)CCC[C@H](n2cccn2)[C@H]1O 86846653 573646406 /nfs/dbraw/zinc/64/64/06/573646406.db2.gz MLEAZSAQOVVDCE-VHSXEESVSA-N 0 0 194.278 1.995 10 0 ADAERN CC1C=C(C=O)C(=O)S1 238462613 573646407 /nfs/dbraw/zinc/64/64/07/573646407.db2.gz QJZZQXWGVBFSHZ-UHFFFAOYSA-N 0 0 142.179 1.575 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1cccnc1 83806874 573646422 /nfs/dbraw/zinc/64/64/22/573646422.db2.gz MONNVZPRJDUEJI-APPZFPTMSA-N 0 0 161.204 1.920 10 0 ADAERN CCn1ccnc1C(=O)[C@H]1C[C@H]1C 83807123 573646428 /nfs/dbraw/zinc/64/64/28/573646428.db2.gz WZXGXOTWZZIICA-SFYZADRCSA-N 0 0 178.235 1.742 10 0 ADAERN CCn1nccc1C(=O)[C@@H]1C[C@H]1C 83806591 573646735 /nfs/dbraw/zinc/64/67/35/573646735.db2.gz PUDFMKBYZJEXBH-HTQZYQBOSA-N 0 0 178.235 1.742 10 0 ADAERN COCc1cc(=O)[nH]c([C@@H]2C[C@@H]2C)n1 83806083 573646436 /nfs/dbraw/zinc/64/64/36/573646436.db2.gz MZCRIYQPLAQSHC-POYBYMJQSA-N 0 0 194.234 1.040 10 0 ADAERN C[C@@H](CO)c1cncs1 259150838 573646449 /nfs/dbraw/zinc/64/64/49/573646449.db2.gz HXGVIMXVXHJGGT-YFKPBYRVSA-N 0 0 143.211 1.239 10 0 ADAERN CCC1(c2ccc(N)cc2)OCCO1 107769009 573646455 /nfs/dbraw/zinc/64/64/55/573646455.db2.gz YZLKBGCNNFOUMI-UHFFFAOYSA-N 0 0 193.246 1.878 10 0 ADAERN CC1(C)CCC[C@@H](n2cccn2)[C@@H]1O 86846652 573646469 /nfs/dbraw/zinc/64/64/69/573646469.db2.gz MLEAZSAQOVVDCE-ZJUUUORDSA-N 0 0 194.278 1.995 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1cnccn1 83807125 573646473 /nfs/dbraw/zinc/64/64/73/573646473.db2.gz SALHKYXEQXPJEQ-RQJHMYQMSA-N 0 0 162.192 1.315 10 0 ADAERN C[C@H](Cc1cccc(O)c1)ON 259541291 573646477 /nfs/dbraw/zinc/64/64/77/573646477.db2.gz VFELJYAVIAIGJX-SSDOTTSWSA-N 0 0 167.208 1.214 10 0 ADAERN C/C(=C\c1ccco1)[C@@H](O)[C@@H](C)O 238463639 573646492 /nfs/dbraw/zinc/64/64/92/573646492.db2.gz SYCQZBGORGOFHM-VKXIGREHSA-N 0 0 182.219 1.425 10 0 ADAERN C[C@@]1(c2ccccc2O)CNC(=O)C1 257838715 573646504 /nfs/dbraw/zinc/64/65/04/573646504.db2.gz LLXWBQFRZQLQFZ-NSHDSACASA-N 0 0 191.230 1.170 10 0 ADAERN Cc1cc(C=O)c(=O)[nH]c1C(F)F 238462555 573646508 /nfs/dbraw/zinc/64/65/08/573646508.db2.gz PDBVQPSIODKZPS-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN C[C@H]1c2ccccc2C(=O)O[C@H]1O 238462900 573646530 /nfs/dbraw/zinc/64/65/30/573646530.db2.gz USWFQCOCCLUYTE-IMTBSYHQSA-N 0 0 178.187 1.279 10 0 ADAERN Oc1cccc(NC[C@H]2CCCO2)c1 107765285 573646533 /nfs/dbraw/zinc/64/65/33/573646533.db2.gz XAWMELWZUXKTCD-LLVKDONJSA-N 0 0 193.246 1.983 10 0 ADAERN CC(C)[C@H](CO)C1(C)COC1 258829265 573646555 /nfs/dbraw/zinc/64/65/55/573646555.db2.gz ZLYYCDSSWRYYCT-QMMMGPOBSA-N 0 0 158.241 1.287 10 0 ADAERN O=c1ncc(OC2CCCC2)c[nH]1 258833835 573646563 /nfs/dbraw/zinc/64/65/63/573646563.db2.gz ZGTRITTVQFGQRW-UHFFFAOYSA-N 0 0 180.207 1.504 10 0 ADAERN CCc1cc(=O)[nH]c([C@@H]2C[C@H]2C)n1 83806030 573646617 /nfs/dbraw/zinc/64/66/17/573646617.db2.gz WNKAKRUKUOWNEU-HTRCEHHLSA-N 0 0 178.235 1.456 10 0 ADAERN CC1(C)CCC[C@H](n2cncn2)[C@@H]1O 86846658 573646619 /nfs/dbraw/zinc/64/66/19/573646619.db2.gz ZNHRACVIAKQJBV-IUCAKERBSA-N 0 0 195.266 1.390 10 0 ADAERN C[C@@H]1C[C@H]1c1nsc(N)n1 83806000 573646634 /nfs/dbraw/zinc/64/66/34/573646634.db2.gz JNEVDNCFOWNQBT-QWWZWVQMSA-N 0 0 155.226 1.244 10 0 ADAERN CC[C@@H](O)c1cccc(OC)c1O 107747085 573646649 /nfs/dbraw/zinc/64/66/49/573646649.db2.gz OPBDHVXBYJVKNB-MRVPVSSYSA-N 0 0 182.219 1.844 10 0 ADAERN COC1(C2CCCCC2)COC1 258829367 573646661 /nfs/dbraw/zinc/64/66/61/573646661.db2.gz ZPFJWLYUSAYRNQ-UHFFFAOYSA-N 0 0 170.252 1.982 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)C1CC1 83806752 573646671 /nfs/dbraw/zinc/64/66/71/573646671.db2.gz ZXYJNWUZZITFME-FSPLSTOPSA-N 0 0 124.183 1.622 10 0 ADAERN COc1ccc(C2(CO)CC2)cc1O 257839078 573646685 /nfs/dbraw/zinc/64/66/85/573646685.db2.gz NCFOHQIWBODOCV-UHFFFAOYSA-N 0 0 194.230 1.425 10 0 ADAERN COc1c(N)ccc2nn(C)c(C)c12 259540323 573646748 /nfs/dbraw/zinc/64/67/48/573646748.db2.gz SMNCDOZHSDTRCU-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C 43334520 573646767 /nfs/dbraw/zinc/64/67/67/573646767.db2.gz UMRBRMGTVOKSKR-SCZZXKLOSA-N 0 0 182.267 1.620 10 0 ADAERN C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C12CCC2 107781561 573646791 /nfs/dbraw/zinc/64/67/91/573646791.db2.gz QQHUXCNICBUMRZ-YUMQZZPRSA-N 0 0 183.251 1.097 10 0 ADAERN CCc1nc([C@@H]2C[C@@H]2C)[nH]c(=O)c1C 83806108 573646795 /nfs/dbraw/zinc/64/67/95/573646795.db2.gz YDWWSLHADSFFML-POYBYMJQSA-N 0 0 192.262 1.764 10 0 ADAERN CCc1nn(C)c2c(C=O)cccc12 257839749 573646823 /nfs/dbraw/zinc/64/68/23/573646823.db2.gz LRCBNOMHXDRICJ-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN ONCc1c(F)cccc1F 96862211 573646839 /nfs/dbraw/zinc/64/68/39/573646839.db2.gz CZNGCWWYXRXEKN-UHFFFAOYSA-N 0 0 159.135 1.444 10 0 ADAERN CO[C@H]1CCCC(C)(C)[C@H]1O 86846749 573646845 /nfs/dbraw/zinc/64/68/45/573646845.db2.gz BXXCOTOXQRSCOC-YUMQZZPRSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C12CCC2 107781349 573646847 /nfs/dbraw/zinc/64/68/47/573646847.db2.gz NTUBKFCNOXGLBS-BDAKNGLRSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1nc([C@H]2CCOC2)sc1C=O 257839528 573646849 /nfs/dbraw/zinc/64/68/49/573646849.db2.gz BGGRKKVCAYVDBJ-ZETCQYMHSA-N 0 0 197.259 1.768 10 0 ADAERN CC(=O)C1(c2ccccc2)COC1 258829129 573646866 /nfs/dbraw/zinc/64/68/66/573646866.db2.gz ZJUZYRMPRRFMGS-UHFFFAOYSA-N 0 0 176.215 1.544 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1cnccn1 83807132 573646878 /nfs/dbraw/zinc/64/68/78/573646878.db2.gz SALHKYXEQXPJEQ-NKWVEPMBSA-N 0 0 162.192 1.315 10 0 ADAERN CNC(=O)C[C@H]([NH3+])c1sccc1C 259152651 573646885 /nfs/dbraw/zinc/64/68/85/573646885.db2.gz UVRLHTMFFUUAIX-ZETCQYMHSA-N 0 0 198.291 1.192 10 0 ADAERN 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/nfs/dbraw/zinc/64/94/41/573649441.db2.gz JGMNDKZDGMNXPV-XLPZGREQSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1cccnc1N 83808018 573649451 /nfs/dbraw/zinc/64/94/51/573649451.db2.gz IWNXNBSRTMNBOQ-SZEHBUNVSA-N 0 0 192.262 1.223 10 0 ADAERN COC(OC)(OC)[C@H]1C[C@H]1C 83809921 573651409 /nfs/dbraw/zinc/65/14/09/573651409.db2.gz FTECTLNZDXBVLM-RQJHMYQMSA-N 0 0 160.213 1.235 10 0 ADAERN c1ccc(CONC2COC2)cc1 96865336 573649460 /nfs/dbraw/zinc/64/94/60/573649460.db2.gz DMPZADSGWVHJBK-UHFFFAOYSA-N 0 0 179.219 1.107 10 0 ADAERN Cc1ccnc(N)c1C(=O)[C@H]1C[C@H]1C 83807297 573649462 /nfs/dbraw/zinc/64/94/62/573649462.db2.gz BAZSPDZBFBNGAB-SFYZADRCSA-N 0 0 190.246 1.811 10 0 ADAERN C[NH2+][C@@H](C1CCC1)C1(C(=O)[O-])CCC1 259150863 573649473 /nfs/dbraw/zinc/64/94/73/573649473.db2.gz IDSFMQRBKFTRKJ-VIFPVBQESA-N 0 0 197.278 1.629 10 0 ADAERN COC(=O)[C@@H](O)c1ccc(C)cc1F 258080675 573649493 /nfs/dbraw/zinc/64/94/93/573649493.db2.gz NBOVGTFANNPDAT-VIFPVBQESA-N 0 0 198.193 1.341 10 0 ADAERN CC1(C)CCCc2cnc(N)nc21 86847968 573649502 /nfs/dbraw/zinc/64/95/02/573649502.db2.gz VOWLAMYCGHBOSQ-UHFFFAOYSA-N 0 0 177.251 1.673 10 0 ADAERN CCc1cc(N)nc([C@H]2C[C@@H]2C)n1 83810014 573649518 /nfs/dbraw/zinc/64/95/18/573649518.db2.gz LIQCGKGAICLNIT-XPUUQOCRSA-N 0 0 177.251 1.745 10 0 ADAERN CNC1(C(=O)OCC(C)C)CCCC1 308655737 573649520 /nfs/dbraw/zinc/64/95/20/573649520.db2.gz NLNHGTCDPWDMKM-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN OC[C@@H]1CCSCC[C@H]1F 259540155 573649522 /nfs/dbraw/zinc/64/95/22/573649522.db2.gz BFWSUMBROBJOGZ-NKWVEPMBSA-N 0 0 164.245 1.460 10 0 ADAERN Cc1nc(CCO)nc2c1CCCC2 257840338 573649535 /nfs/dbraw/zinc/64/95/35/573649535.db2.gz LYNQMTBKOPTJLU-UHFFFAOYSA-N 0 0 192.262 1.199 10 0 ADAERN COC(=N)[C@H]1C[C@@H]1C 83809674 573649570 /nfs/dbraw/zinc/64/95/70/573649570.db2.gz GHCVFTQJETWFTK-WHFBIAKZSA-N 0 0 113.160 1.266 10 0 ADAERN COc1cc(C)c(O)c(CCCO)c1 258080658 573649574 /nfs/dbraw/zinc/64/95/74/573649574.db2.gz NBGKHYUKKVYRLG-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN C[N@@H+]1CC[C@@H](CCC(=O)[O-])[C@H](F)C1 257840824 573649577 /nfs/dbraw/zinc/64/95/77/573649577.db2.gz MCIFFHMLZKOQHQ-HTQZYQBOSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccco1 83808000 573649583 /nfs/dbraw/zinc/64/95/83/573649583.db2.gz XUEFUUNVOIHRDS-FJXKBIBVSA-N 0 0 152.193 1.969 10 0 ADAERN Cc1ccc(OC2CC2)c(CON)c1 258080695 573649609 /nfs/dbraw/zinc/64/96/09/573649609.db2.gz NCUQNMUKOUBRRB-UHFFFAOYSA-N 0 0 193.246 1.927 10 0 ADAERN CCOC(=N)[C@H]1C[C@@H]1C 83809676 573649611 /nfs/dbraw/zinc/64/96/11/573649611.db2.gz KFRBWRPPYIIPJG-WDSKDSINSA-N 0 0 127.187 1.656 10 0 ADAERN C[C@H](C[NH3+])c1ccc(C(=O)[O-])cc1 259540192 573649629 /nfs/dbraw/zinc/64/96/29/573649629.db2.gz QXUYKBMCOJKGFT-SSDOTTSWSA-N 0 0 179.219 1.447 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccnc(N)c1 83807282 573649642 /nfs/dbraw/zinc/64/96/42/573649642.db2.gz XLHMJRJLKFWCAS-APPZFPTMSA-N 0 0 190.246 1.431 10 0 ADAERN Cc1cc(CCO)c2c(c1)OCCO2 258080638 573649644 /nfs/dbraw/zinc/64/96/44/573649644.db2.gz NAHRRYKNVQLNCA-UHFFFAOYSA-N 0 0 194.230 1.301 10 0 ADAERN Cc1ccc([C@@H]2NCCCC2=O)cc1 258829606 573649682 /nfs/dbraw/zinc/64/96/82/573649682.db2.gz JDMWREFUMUNIFF-LBPRGKRZSA-N 0 0 189.258 1.989 10 0 ADAERN Cc1nccnc1[C@@H]1C[C@H](O)[C@@H]1C 235624669 573649692 /nfs/dbraw/zinc/64/96/92/573649692.db2.gz DYEZNXBJMFOLJK-VDAHYXPESA-N 0 0 178.235 1.269 10 0 ADAERN C[C@@H](c1cnc(N(C)C)o1)N(C)O 96864767 573649705 /nfs/dbraw/zinc/64/97/05/573649705.db2.gz LVZBMTKYESARJN-LURJTMIESA-N 0 0 185.227 1.123 10 0 ADAERN CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C 43334521 573649707 /nfs/dbraw/zinc/64/97/07/573649707.db2.gz UMRBRMGTVOKSKR-WCBMZHEXSA-N 0 0 182.267 1.620 10 0 ADAERN COC[C@]1(O)CCCCC1(C)C 86849403 573649718 /nfs/dbraw/zinc/64/97/18/573649718.db2.gz BMKUVTFMGDFMKQ-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CO[C@@H](C)C(=O)OCc1ccoc1 308410296 573649722 /nfs/dbraw/zinc/64/97/22/573649722.db2.gz LIWYDXFONYKOKV-ZETCQYMHSA-N 0 0 184.191 1.358 10 0 ADAERN C[C@]1(c2ccc(N)cc2)CCOCO1 238466594 573649729 /nfs/dbraw/zinc/64/97/29/573649729.db2.gz WVMVNQYDIAXVSO-LLVKDONJSA-N 0 0 193.246 1.878 10 0 ADAERN C[N@@H+]1CC[C@H](CCC(=O)[O-])[C@@H](F)C1 257840827 573649741 /nfs/dbraw/zinc/64/97/41/573649741.db2.gz MCIFFHMLZKOQHQ-YUMQZZPRSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]([NH3+])c1cnccc1N 83808422 573649763 /nfs/dbraw/zinc/64/97/63/573649763.db2.gz PBCMXJXOJZVROS-FWWHASMVSA-N 0 0 177.251 1.320 10 0 ADAERN CC[C@H](O)c1cccc(OC)c1O 107747080 573649768 /nfs/dbraw/zinc/64/97/68/573649768.db2.gz OPBDHVXBYJVKNB-QMMMGPOBSA-N 0 0 182.219 1.844 10 0 ADAERN COC(OC)(OC)[C@@H]1C[C@H]1C 83809923 573649794 /nfs/dbraw/zinc/64/97/94/573649794.db2.gz FTECTLNZDXBVLM-RNFRBKRXSA-N 0 0 160.213 1.235 10 0 ADAERN CNc1cc(C)nc([C@@H]2C[C@H]2C)n1 83810043 573649803 /nfs/dbraw/zinc/64/98/03/573649803.db2.gz IUTOSMNOIBNKTP-HTRCEHHLSA-N 0 0 177.251 1.950 10 0 ADAERN CC(C)(C)Nc1ncnc2c1CNC2 257840337 573649815 /nfs/dbraw/zinc/64/98/15/573649815.db2.gz LYMPZYIKYBFLMP-UHFFFAOYSA-N 0 0 192.266 1.290 10 0 ADAERN Cc1cc(=O)c(C(F)F)c(N)[nH]1 238466469 573649817 /nfs/dbraw/zinc/64/98/17/573649817.db2.gz DAQQXRYPSCUMKB-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1cnccn1 83807962 573649818 /nfs/dbraw/zinc/64/98/18/573649818.db2.gz PSDFDIYVGKBNHH-BHNWBGBOSA-N 0 0 164.208 1.166 10 0 ADAERN COC(=O)CCCNc1ccc[nH]1 258835245 573649822 /nfs/dbraw/zinc/64/98/22/573649822.db2.gz BRLQBMAVNAZMMA-UHFFFAOYSA-N 0 0 182.223 1.380 10 0 ADAERN Cc1cc(N)nc([C@H]2C[C@@H]2C)n1 83809998 573649845 /nfs/dbraw/zinc/64/98/45/573649845.db2.gz MMSSHESGQCMACJ-FSPLSTOPSA-N 0 0 163.224 1.491 10 0 ADAERN COC(OC)(OC)[C@H]1C[C@@H]1C 83809922 573651415 /nfs/dbraw/zinc/65/14/15/573651415.db2.gz FTECTLNZDXBVLM-BQBZGAKWSA-N 0 0 160.213 1.235 10 0 ADAERN C[C@@H](C[NH+](C)C)n1cccc1C(=O)[O-] 130693737 573649851 /nfs/dbraw/zinc/64/98/51/573649851.db2.gz YSEWXNIENJNYFP-QMMMGPOBSA-N 0 0 196.250 1.309 10 0 ADAERN C[C@@H]1[C@H]2CNC(=O)[C@@]12c1ccccc1 238466477 573649857 /nfs/dbraw/zinc/64/98/57/573649857.db2.gz STXRRYCTOWIEFW-HLUHBDAQSA-N 0 0 187.242 1.320 10 0 ADAERN CCC[C@H]1[C@H]2CC[C@@H](C[C@H]1C(=O)[O-])[NH2+]2 258075084 573649870 /nfs/dbraw/zinc/64/98/70/573649870.db2.gz LVVULPRMNRVTGE-SGIHWFKDSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@]1(c2cc(=O)[n-]o2)CCC[NH2+]C1 238465776 573649875 /nfs/dbraw/zinc/64/98/75/573649875.db2.gz KJTQLYCNNMBCBJ-VIFPVBQESA-N 0 0 182.223 1.021 10 0 ADAERN Cc1cc(N)nc([C@@H]2C[C@H]2C)n1 83809999 573649920 /nfs/dbraw/zinc/64/99/20/573649920.db2.gz MMSSHESGQCMACJ-IYSWYEEDSA-N 0 0 163.224 1.491 10 0 ADAERN CO[C@@H](C)c1cccc(CCON)c1 259540436 573649936 /nfs/dbraw/zinc/64/99/36/573649936.db2.gz UYURNLYGJDCQGR-VIFPVBQESA-N 0 0 195.262 1.827 10 0 ADAERN Cc1ccnc(N)c1C(=O)[C@H]1C[C@@H]1C 83807294 573649943 /nfs/dbraw/zinc/64/99/43/573649943.db2.gz BAZSPDZBFBNGAB-YUMQZZPRSA-N 0 0 190.246 1.811 10 0 ADAERN Cn1cnc2ccc(CCCO)cc21 258080671 573649947 /nfs/dbraw/zinc/64/99/47/573649947.db2.gz NBNINAPANMAMMS-UHFFFAOYSA-N 0 0 190.246 1.498 10 0 ADAERN Cc1c(-c2ccccn2)c1=O 258835453 573649948 /nfs/dbraw/zinc/64/99/48/573649948.db2.gz PNWFEAXMYMDVKA-UHFFFAOYSA-N 0 0 145.161 1.293 10 0 ADAERN COc1ccc(C[C@H](F)[C@@H](C)O)cc1 257840497 573649952 /nfs/dbraw/zinc/64/99/52/573649952.db2.gz JWAYEJFXENLSCA-KCJUWKMLSA-N 0 0 198.237 1.957 10 0 ADAERN NOCc1ccc(CCCO)cc1 259540703 573649958 /nfs/dbraw/zinc/64/99/58/573649958.db2.gz VCLQYZCHHAMEOX-UHFFFAOYSA-N 0 0 181.235 1.002 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C)nc(N)c1C 83810029 573649962 /nfs/dbraw/zinc/64/99/62/573649962.db2.gz SQIDZPXKLLKYEA-YLWLKBPMSA-N 0 0 177.251 1.799 10 0 ADAERN C[C@@H]1C[C@H]1[C@H]([NH3+])c1cnccc1N 83808424 573649980 /nfs/dbraw/zinc/64/99/80/573649980.db2.gz PBCMXJXOJZVROS-XSSZXYGBSA-N 0 0 177.251 1.320 10 0 ADAERN CO[C@@H](C)c1cccc(C(=O)CN)c1 259540748 573649986 /nfs/dbraw/zinc/64/99/86/573649986.db2.gz VDFWGNZDSZLWFG-QMMMGPOBSA-N 0 0 193.246 1.535 10 0 ADAERN C[NH+](C)[C@@]1(C(=O)[O-])CCCCC1(C)C 86849780 573649994 /nfs/dbraw/zinc/64/99/94/573649994.db2.gz GIZNIJAWNASUIM-LLVKDONJSA-N 0 0 199.294 1.972 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/nfs/dbraw/zinc/65/00/94/573650094.db2.gz NSFMDZYFGTZZDE-FBIMIBRVSA-N 0 0 184.279 1.820 10 0 ADAERN Cc1ccccc1[C@@H]1C[C@@H](C(=O)[O-])[NH2+]1 257840832 573650095 /nfs/dbraw/zinc/65/00/95/573650095.db2.gz MCSOWMFCYBMWEQ-UWVGGRQHSA-N 0 0 191.230 1.483 10 0 ADAERN CC(=O)CCCOCC(F)F 130684679 573650126 /nfs/dbraw/zinc/65/01/26/573650126.db2.gz JSGJCMKBFYJOMW-UHFFFAOYSA-N 0 0 166.167 1.637 10 0 ADAERN CN(CCC1CC1)c1cncc(N)c1 308655925 573650130 /nfs/dbraw/zinc/65/01/30/573650130.db2.gz ODHFUNMTOOXKBI-UHFFFAOYSA-N 0 0 191.278 1.900 10 0 ADAERN C[C@H]1C[C@H]1c1noc(Cl)n1 83809672 573650144 /nfs/dbraw/zinc/65/01/44/573650144.db2.gz INFXHJIJTFEAAY-IUYQGCFVSA-N 0 0 158.588 1.846 10 0 ADAERN Cc1ncc(C=O)c(C(F)F)c1N 238466196 573650149 /nfs/dbraw/zinc/65/01/49/573650149.db2.gz MJZZJUMSRHIKGX-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1cncnc1 83807352 573650152 /nfs/dbraw/zinc/65/01/52/573650152.db2.gz CCTHTPCJQRHEKM-FTLITQJKSA-N 0 0 164.208 1.166 10 0 ADAERN CC[C@@H](O)[C@H]1C[C@@H]1C 83807475 573650156 /nfs/dbraw/zinc/65/01/56/573650156.db2.gz BLNMNBHHOXRJRI-LYFYHCNISA-N 0 0 114.188 1.413 10 0 ADAERN CCn1nccc1[C@H](O)[C@@H]1C[C@@H]1C 83807540 573650161 /nfs/dbraw/zinc/65/01/61/573650161.db2.gz ZYAFUHIYUDRSTG-QXFUBDJGSA-N 0 0 180.251 1.592 10 0 ADAERN OCCc1ccc([C@H]2COCO2)cc1 258080727 573650169 /nfs/dbraw/zinc/65/01/69/573650169.db2.gz NEUPRTUUYIUWOM-LLVKDONJSA-N 0 0 194.230 1.267 10 0 ADAERN COc1ccc(C[C@@H](F)[C@@H](C)O)cc1 257840500 573650189 /nfs/dbraw/zinc/65/01/89/573650189.db2.gz JWAYEJFXENLSCA-LDYMZIIASA-N 0 0 198.237 1.957 10 0 ADAERN Cc1c(CO)c[nH]c(=O)c1C(F)F 238457694 573650201 /nfs/dbraw/zinc/65/02/01/573650201.db2.gz LSXFPVUZKMDUJE-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN Cc1c(Cl)ccc2c1C(=O)NC2 238466331 573650208 /nfs/dbraw/zinc/65/02/08/573650208.db2.gz ASFMNBSIQLATPM-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN C=Cc1c[nH]c(=O)c2c(C)onc12 238466003 573650232 /nfs/dbraw/zinc/65/02/32/573650232.db2.gz YZAJRGQCAJHPKJ-UHFFFAOYSA-N 0 0 176.175 1.468 10 0 ADAERN Cc1cc(O)c(C(F)F)c(=O)[nH]1 238466492 573650247 /nfs/dbraw/zinc/65/02/47/573650247.db2.gz IVXWLMKCRDKMRA-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN Cn1ncc2cccc(CCON)c21 258080694 573650249 /nfs/dbraw/zinc/65/02/49/573650249.db2.gz NCTIPBPKHBKHNO-UHFFFAOYSA-N 0 0 191.234 1.006 10 0 ADAERN CC1(C)CCCc2[nH]c(C=O)nc21 86847979 573650287 /nfs/dbraw/zinc/65/02/87/573650287.db2.gz UCALSOZSHBGXJM-UHFFFAOYSA-N 0 0 178.235 1.836 10 0 ADAERN Cc1cc(N)cn2nc(C3CC3)nc12 107812892 573650303 /nfs/dbraw/zinc/65/03/03/573650303.db2.gz QYVXALAZTWIOQO-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN Cc1ccnc(C(F)(F)CN)c1 238466680 573650312 /nfs/dbraw/zinc/65/03/12/573650312.db2.gz ANCAVCFXJGQYRD-UHFFFAOYSA-N 0 0 172.178 1.441 10 0 ADAERN COCc1cc(N)nc([C@H]2C[C@H]2C)n1 83810125 573650328 /nfs/dbraw/zinc/65/03/28/573650328.db2.gz ARLASCVDJZLAMN-SVRRBLITSA-N 0 0 193.250 1.329 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1nccn1C 83807384 573650350 /nfs/dbraw/zinc/65/03/50/573650350.db2.gz BMMJPDRFFSGZBW-CSMHCCOUSA-N 0 0 166.224 1.110 10 0 ADAERN NOCCc1ccc2ccncc2c1 258080670 573650354 /nfs/dbraw/zinc/65/03/54/573650354.db2.gz NBMCTVYYNOWZBV-UHFFFAOYSA-N 0 0 188.230 1.668 10 0 ADAERN CC[N@@H+]1CC[C@H](C(F)(F)C(=O)[O-])C1 257840810 573650356 /nfs/dbraw/zinc/65/03/56/573650356.db2.gz MBTJZIBQZYLHIG-LURJTMIESA-N 0 0 193.193 1.048 10 0 ADAERN COc1ccc(C[C@@H](F)[C@H](C)O)cc1 257840495 573650363 /nfs/dbraw/zinc/65/03/63/573650363.db2.gz JWAYEJFXENLSCA-GZMMTYOYSA-N 0 0 198.237 1.957 10 0 ADAERN C[C@H]1C(=O)C[C@H]2C=C[C@@H]1C2 238466624 573650377 /nfs/dbraw/zinc/65/03/77/573650377.db2.gz OYDJTHWIFKWKFT-GJMOJQLCSA-N 0 0 136.194 1.788 10 0 ADAERN Cc1ccccc1C=C=C(CO)CO 238465820 573650388 /nfs/dbraw/zinc/65/03/88/573650388.db2.gz SYMZBVKGKHYCMX-UHFFFAOYSA-N 0 0 190.242 1.518 10 0 ADAERN C[N@@H+]1CC[C@@H](CCC(=O)[O-])[C@@H](F)C1 257840826 573650414 /nfs/dbraw/zinc/65/04/14/573650414.db2.gz MCIFFHMLZKOQHQ-SFYZADRCSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1cncc(F)c1 83808049 573650429 /nfs/dbraw/zinc/65/04/29/573650429.db2.gz KZZHWLBFSHJHLY-BDODKLCJSA-N 0 0 181.210 1.910 10 0 ADAERN Cc1c(N)ccc2nc(C3CC3)nn12 107815405 573650448 /nfs/dbraw/zinc/65/04/48/573650448.db2.gz JYEGIUFCHQHNDK-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCCC1(C)C 86850229 573650470 /nfs/dbraw/zinc/65/04/70/573650470.db2.gz DILQUZXDUPTOCN-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1nc2cc(C)c(C=O)cn2n1 107820339 573650491 /nfs/dbraw/zinc/65/04/91/573650491.db2.gz JHYSQHMUUIFCSX-UHFFFAOYSA-N 0 0 175.191 1.159 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1ccnc(N)c1 83807285 573650495 /nfs/dbraw/zinc/65/04/95/573650495.db2.gz XLHMJRJLKFWCAS-CBAPKCEASA-N 0 0 190.246 1.431 10 0 ADAERN Cc1cc(N)c2nc(C(C)C)nn2c1 107813734 573651388 /nfs/dbraw/zinc/65/13/88/573651388.db2.gz OYHUMJCFICITGC-UHFFFAOYSA-N 0 0 190.250 1.743 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)C1CCOCC1 83807532 573650521 /nfs/dbraw/zinc/65/05/21/573650521.db2.gz GLCMEZVSZALTCL-FKTZTGRPSA-N 0 0 170.252 1.430 10 0 ADAERN CC(=O)C(=O)N(C)CC(C)(C)C 258837991 573653946 /nfs/dbraw/zinc/65/39/46/573653946.db2.gz CQCRGLPKRLXRMB-UHFFFAOYSA-N 0 0 171.240 1.080 10 0 ADAERN COc1cccc(-c2nncn2C)c1 96868433 573650525 /nfs/dbraw/zinc/65/05/25/573650525.db2.gz UVCZASSIOJKPRC-UHFFFAOYSA-N 0 0 189.218 1.491 10 0 ADAERN Cc1onc2c1C(=O)CCC2 238465863 573650526 /nfs/dbraw/zinc/65/05/26/573650526.db2.gz UISDKZZWOVNTBM-UHFFFAOYSA-N 0 0 151.165 1.502 10 0 ADAERN CCCc1nc2ccc(N)c(C)n2n1 107815362 573650530 /nfs/dbraw/zinc/65/05/30/573650530.db2.gz MCRJHQNKRFEJMQ-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN O=C(NCC1CCC1)C1(CO)CCC1 258843319 573650539 /nfs/dbraw/zinc/65/05/39/573650539.db2.gz TVKFYKQRYYEGLS-UHFFFAOYSA-N 0 0 197.278 1.065 10 0 ADAERN COC(=O)[C@](N)(C(F)F)C(C)(C)C 257841596 573653967 /nfs/dbraw/zinc/65/39/67/573653967.db2.gz MHQLZPPUUIPZMN-MRVPVSSYSA-N 0 0 195.209 1.168 10 0 ADAERN C[C@H](Nc1ccccc1)C(N)=S 238465792 573650574 /nfs/dbraw/zinc/65/05/74/573650574.db2.gz ITUJDGAYODPCHK-ZETCQYMHSA-N 0 0 180.276 1.773 10 0 ADAERN CN1CCNc2ccccc2CC1=O 259543719 573651393 /nfs/dbraw/zinc/65/13/93/573651393.db2.gz WVHFZHNQVZABNN-UHFFFAOYSA-N 0 0 190.246 1.113 10 0 ADAERN C[C@@H]1C(=O)OCCCCCC[C@H]1O 238466061 573650580 /nfs/dbraw/zinc/65/05/80/573650580.db2.gz PXIHJBFWYGRTCV-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN Cc1nn(C)c2ccc([C@@H](C)O)cc12 258080685 573650593 /nfs/dbraw/zinc/65/05/93/573650593.db2.gz NCIHSLZSLAZJHX-MRVPVSSYSA-N 0 0 190.246 1.935 10 0 ADAERN CCCc1nc2ccc(N)cn2n1 107812564 573650627 /nfs/dbraw/zinc/65/06/27/573650627.db2.gz VJCWGFFZVPCSBV-UHFFFAOYSA-N 0 0 176.223 1.264 10 0 ADAERN CC(C)(O)CNc1ccc[nH]1 258838150 573650643 /nfs/dbraw/zinc/65/06/43/573650643.db2.gz MWAGEOFOOLUTEG-UHFFFAOYSA-N 0 0 154.213 1.198 10 0 ADAERN COC(OC)(OC)[C@@H]1C[C@@H]1C 83809924 573650646 /nfs/dbraw/zinc/65/06/46/573650646.db2.gz FTECTLNZDXBVLM-NKWVEPMBSA-N 0 0 160.213 1.235 10 0 ADAERN C[C@H](O)Cc1c[nH]c2ccc(O)cc12 258080623 573650687 /nfs/dbraw/zinc/65/06/87/573650687.db2.gz HLWIBYPFYUXUIV-ZETCQYMHSA-N 0 0 191.230 1.797 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1cccnc1 83807556 573650690 /nfs/dbraw/zinc/65/06/90/573650690.db2.gz JHWXZBYTANPZBC-FKTZTGRPSA-N 0 0 163.220 1.771 10 0 ADAERN COc1ccc(C[C@H](F)[C@H](C)O)cc1 257840499 573650700 /nfs/dbraw/zinc/65/07/00/573650700.db2.gz JWAYEJFXENLSCA-KWQFWETISA-N 0 0 198.237 1.957 10 0 ADAERN O=C([O-])C(F)(F)C[C@H]1CCC[NH2+]C1 257839810 573650725 /nfs/dbraw/zinc/65/07/25/573650725.db2.gz LTGCXOAOLYPJMP-ZCFIWIBFSA-N 0 0 193.193 1.096 10 0 ADAERN Cc1cc(O)c(N)nc1C(F)F 238470994 573653971 /nfs/dbraw/zinc/65/39/71/573653971.db2.gz IWMSIOYGQOZRQC-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CC[C@@H](F)C1 388471965 573650730 /nfs/dbraw/zinc/65/07/30/573650730.db2.gz NNAHYFJMXDYGRH-OUZXLXBKSA-N 0 0 171.215 1.569 10 0 ADAERN COC(=O)[C@H](O)c1ccc(C)cc1F 258080674 573650782 /nfs/dbraw/zinc/65/07/82/573650782.db2.gz NBOVGTFANNPDAT-SECBINFHSA-N 0 0 198.193 1.341 10 0 ADAERN C[C@]1(O)CCN(c2cccc(O)c2)C1 259543177 573650827 /nfs/dbraw/zinc/65/08/27/573650827.db2.gz BWZVYZXZVUMTQX-NSHDSACASA-N 0 0 193.246 1.353 10 0 ADAERN COC[C@@]1(O)CCCCC1(C)C 86849401 573650838 /nfs/dbraw/zinc/65/08/38/573650838.db2.gz BMKUVTFMGDFMKQ-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(N)c2c(n1)CCC2 83809994 573650882 /nfs/dbraw/zinc/65/08/82/573650882.db2.gz YDPWSYNQZKWBPH-XPUUQOCRSA-N 0 0 189.262 1.671 10 0 ADAERN CC1(C)CCCC[C@]12CC(=O)N2 86850221 573650888 /nfs/dbraw/zinc/65/08/88/573650888.db2.gz WCIGKVSVPQBEMX-JTQLQIEISA-N 0 0 167.252 1.845 10 0 ADAERN C[C@@]1(O)CCN(c2cccc(O)c2)C1 259543173 573650895 /nfs/dbraw/zinc/65/08/95/573650895.db2.gz BWZVYZXZVUMTQX-LLVKDONJSA-N 0 0 193.246 1.353 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccnn1C 83807484 573650898 /nfs/dbraw/zinc/65/08/98/573650898.db2.gz CVFPEWNFSFMPIG-FJXKBIBVSA-N 0 0 166.224 1.110 10 0 ADAERN CCC[C@H](F)[C@H](C)O 257840560 573650908 /nfs/dbraw/zinc/65/09/08/573650908.db2.gz NQNAYPUTSIFFHN-WDSKDSINSA-N 0 0 120.167 1.505 10 0 ADAERN O=C1NCC[C@@H](c2ccc(O)cc2)N1 257840830 573650945 /nfs/dbraw/zinc/65/09/45/573650945.db2.gz MCMZEDRRINVOAU-VIFPVBQESA-N 0 0 192.218 1.136 10 0 ADAERN Cc1ccnc(N)c1C(=O)[C@@H]1C[C@H]1C 83807296 573650948 /nfs/dbraw/zinc/65/09/48/573650948.db2.gz BAZSPDZBFBNGAB-HTQZYQBOSA-N 0 0 190.246 1.811 10 0 ADAERN C[C@H]1NC(=O)N[C@@H]1C1=CCCCC1 238466544 573650959 /nfs/dbraw/zinc/65/09/59/573650959.db2.gz SCCOVFWBNBPSPD-APPZFPTMSA-N 0 0 180.251 1.557 10 0 ADAERN CCn1ccnc1[C@H](O)[C@@H]1C[C@@H]1C 83807596 573650977 /nfs/dbraw/zinc/65/09/77/573650977.db2.gz NGBGIZVAMLCVSF-DJLDLDEBSA-N 0 0 180.251 1.592 10 0 ADAERN O=C(CCO)NCCC1CCCC1 258840959 573650978 /nfs/dbraw/zinc/65/09/78/573650978.db2.gz MXZBEPKPONNKAZ-UHFFFAOYSA-N 0 0 185.267 1.065 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1ccnc(N)c1 83807290 573650985 /nfs/dbraw/zinc/65/09/85/573650985.db2.gz XLHMJRJLKFWCAS-IONNQARKSA-N 0 0 190.246 1.431 10 0 ADAERN CNc1ccnc([C@H]2C[C@H]2C)n1 83810097 573650999 /nfs/dbraw/zinc/65/09/99/573650999.db2.gz YYIZEACDKCFKAF-RQJHMYQMSA-N 0 0 163.224 1.642 10 0 ADAERN C[C@H]1CC[C@@H](OCCCO)CC1 238485560 573651014 /nfs/dbraw/zinc/65/10/14/573651014.db2.gz QAPZSXMWHUEKNG-MGCOHNPYSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cc(C=O)c2nccn2c1 107816228 573651022 /nfs/dbraw/zinc/65/10/22/573651022.db2.gz GXBLDVSVEAEQKQ-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN C[C@H](CC1C=CC=CC=C1)NC=O 238466152 573651027 /nfs/dbraw/zinc/65/10/27/573651027.db2.gz ILVNTDWOKATWOT-SNVBAGLBSA-N 0 0 177.247 1.809 10 0 ADAERN CCc1nc2c(C)cc(N)cn2n1 107813514 573651299 /nfs/dbraw/zinc/65/12/99/573651299.db2.gz PYQGNUGYCIWQBG-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]12NC(=O)NC2=O 235624636 573651058 /nfs/dbraw/zinc/65/10/58/573651058.db2.gz FFPIRLBXEYJRBG-WKEGUHRASA-N 0 0 196.250 1.021 10 0 ADAERN C[C@H]1C[C@H]1c1nc(N)c2c(n1)CCC2 83809996 573651077 /nfs/dbraw/zinc/65/10/77/573651077.db2.gz YDPWSYNQZKWBPH-POYBYMJQSA-N 0 0 189.262 1.671 10 0 ADAERN C[C@H]1C[C@@H](NC=O)c2ccccc2N1 238457922 573651088 /nfs/dbraw/zinc/65/10/88/573651088.db2.gz XROFDIKKABZNLR-GZMMTYOYSA-N 0 0 190.246 1.678 10 0 ADAERN Cn1cnc2cccc(C(C)(C)O)c21 258080743 573651109 /nfs/dbraw/zinc/65/11/09/573651109.db2.gz NFEBDPVPNVBXLG-UHFFFAOYSA-N 0 0 190.246 1.801 10 0 ADAERN CC(C)[C@H](CO)C(=O)NCC1CCC1 258844602 573651110 /nfs/dbraw/zinc/65/11/10/573651110.db2.gz TXOBZUDWASLLJS-JTQLQIEISA-N 0 0 199.294 1.167 10 0 ADAERN CC(C)[C@@H](CO)C(=O)NCC1CCC1 258844606 573651118 /nfs/dbraw/zinc/65/11/18/573651118.db2.gz TXOBZUDWASLLJS-SNVBAGLBSA-N 0 0 199.294 1.167 10 0 ADAERN CCC[C@@H](F)[C@@H](C)O 257840557 573651126 /nfs/dbraw/zinc/65/11/26/573651126.db2.gz NQNAYPUTSIFFHN-PHDIDXHHSA-N 0 0 120.167 1.505 10 0 ADAERN CCOc1cccc(O)c1C1(O)CC1 258080653 573651137 /nfs/dbraw/zinc/65/11/37/573651137.db2.gz NAWJBBWCRDJHSQ-UHFFFAOYSA-N 0 0 194.230 1.772 10 0 ADAERN COCc1cc2c(cc1C)OCCO2 259543640 573651197 /nfs/dbraw/zinc/65/11/97/573651197.db2.gz XEOLVHZOLDNMCR-UHFFFAOYSA-N 0 0 194.230 1.913 10 0 ADAERN O=C([O-])C(F)(F)C[C@@H]1CCC[NH2+]C1 257839809 573651164 /nfs/dbraw/zinc/65/11/64/573651164.db2.gz LTGCXOAOLYPJMP-LURJTMIESA-N 0 0 193.193 1.096 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(N)c2c(n1)CCC2 83809995 573651171 /nfs/dbraw/zinc/65/11/71/573651171.db2.gz YDPWSYNQZKWBPH-HTRCEHHLSA-N 0 0 189.262 1.671 10 0 ADAERN CCCCc1nc2ccc(N)cn2n1 107813488 573651179 /nfs/dbraw/zinc/65/11/79/573651179.db2.gz RXMMQJJIVVAVBT-UHFFFAOYSA-N 0 0 190.250 1.654 10 0 ADAERN C[C@H]1c2ccccc2C(=O)[C@H]1CCO 238457897 573651204 /nfs/dbraw/zinc/65/12/04/573651204.db2.gz HZJBEBQGVZLSEA-WPRPVWTQSA-N 0 0 190.242 1.985 10 0 ADAERN Cc1cc(CCCO)cc2c1OCC2 258080645 573651218 /nfs/dbraw/zinc/65/12/18/573651218.db2.gz NAPDHGSILANTFU-UHFFFAOYSA-N 0 0 192.258 1.855 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1nccn1C 83807388 573651233 /nfs/dbraw/zinc/65/12/33/573651233.db2.gz BMMJPDRFFSGZBW-PRJMDXOYSA-N 0 0 166.224 1.110 10 0 ADAERN CC[C@H](O)[C@@H]1C[C@@H]1C 83807472 573651279 /nfs/dbraw/zinc/65/12/79/573651279.db2.gz BLNMNBHHOXRJRI-XVMARJQXSA-N 0 0 114.188 1.413 10 0 ADAERN CC(C)C(=O)COCC(F)F 130686755 573651280 /nfs/dbraw/zinc/65/12/80/573651280.db2.gz UNLFSVVHFQWHGD-UHFFFAOYSA-N 0 0 166.167 1.493 10 0 ADAERN CCCc1nc2c(N)cccn2n1 107813398 573651261 /nfs/dbraw/zinc/65/12/61/573651261.db2.gz OINKPJFIBXTAJE-UHFFFAOYSA-N 0 0 176.223 1.264 10 0 ADAERN CC1(C)CCCC[C@@]12COC(N)=N2 86850396 573651267 /nfs/dbraw/zinc/65/12/67/573651267.db2.gz WCJUWKWKPPCEHW-SNVBAGLBSA-N 0 0 182.267 1.670 10 0 ADAERN CC(=O)c1ccnn1CC(C)C 75619260 573652846 /nfs/dbraw/zinc/65/28/46/573652846.db2.gz QLRKLTWRLJLYOL-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN Cc1cc2c(cc1NCO)OCO2 258844475 573652217 /nfs/dbraw/zinc/65/22/17/573652217.db2.gz CPCOUTWEUVISCY-UHFFFAOYSA-N 0 0 181.191 1.085 10 0 ADAERN COC(=O)[C@H]1[C@@H](c2cncs2)[C@@H]1C 259542903 573652219 /nfs/dbraw/zinc/65/22/19/573652219.db2.gz GNPXILNZDDWZKU-UIISKDMLSA-N 0 0 197.259 1.666 10 0 ADAERN C[C@H]1[NH2+]CCc2cc(C(=O)[O-])ccc21 107805564 573652223 /nfs/dbraw/zinc/65/22/23/573652223.db2.gz MMBFGOXCLVMIMZ-SSDOTTSWSA-N 0 0 191.230 1.592 10 0 ADAERN CNc1cccc([C@@H](C)O)c1 107802474 573652253 /nfs/dbraw/zinc/65/22/53/573652253.db2.gz RLIRRKOYNCOLRV-SSDOTTSWSA-N 0 0 151.209 1.782 10 0 ADAERN COc1ccc(F)c(CNO)c1C 258080631 573652279 /nfs/dbraw/zinc/65/22/79/573652279.db2.gz MZZAEXIJMMBFIJ-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN COc1ccc(N)c([C@@H](O)C2CC2)c1 257840809 573652281 /nfs/dbraw/zinc/65/22/81/573652281.db2.gz MBSGYOFXHXBMNW-NSHDSACASA-N 0 0 193.246 1.721 10 0 ADAERN C[C@H]1Cc2nn(C(N)=O)cc2[C@H](C)C1 238466636 573652293 /nfs/dbraw/zinc/65/22/93/573652293.db2.gz JQYHYDBFSCGHOA-RNFRBKRXSA-N 0 0 193.250 1.496 10 0 ADAERN O=C1CC[C@H](c2ccc(CO)cc2)O1 224491935 573652300 /nfs/dbraw/zinc/65/23/00/573652300.db2.gz YOIUTLSFTZKDAH-SNVBAGLBSA-N 0 0 192.214 1.557 10 0 ADAERN CCC[C@H]1OC[C@H](CC(=O)OC)O1 258840216 573652307 /nfs/dbraw/zinc/65/23/07/573652307.db2.gz SBQDKTWMEZLIDL-CBAPKCEASA-N 0 0 188.223 1.091 10 0 ADAERN C[C@@H]1C[C@](C)(O)c2cc(N)ccc21 238465730 573652346 /nfs/dbraw/zinc/65/23/46/573652346.db2.gz DFGSWTRSPMOCFH-HQJQHLMTSA-N 0 0 177.247 1.984 10 0 ADAERN C[C@H](O)[C@@H]1COc2ccc(O)cc21 258075218 573652347 /nfs/dbraw/zinc/65/23/47/573652347.db2.gz MNDIPNALVHAQPR-RCOVLWMOSA-N 0 0 180.203 1.249 10 0 ADAERN CCc1nc(N)oc1-c1cccnc1 258508054 573652350 /nfs/dbraw/zinc/65/23/50/573652350.db2.gz FBKFOXXZTMTGPJ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN C[C@H]1NC(=O)N[C@@H]1C1CCCCC1 238466564 573652355 /nfs/dbraw/zinc/65/23/55/573652355.db2.gz WQIHOHWHYYBYDU-APPZFPTMSA-N 0 0 182.267 1.637 10 0 ADAERN C[N@H+](Cc1cc[nH]c1)C(C)(C)C(=O)[O-] 258837234 573652858 /nfs/dbraw/zinc/65/28/58/573652858.db2.gz QOTIUOIVOQYSOO-UHFFFAOYSA-N 0 0 196.250 1.310 10 0 ADAERN C[C@@H]1[C@H]2CC[C@@H]1[C@@H](O)C2 238466162 573652396 /nfs/dbraw/zinc/65/23/96/573652396.db2.gz MGNJCCANGYTIMF-KVPKETBZSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@@H](F)Cc1ccccc1CON 258080624 573652440 /nfs/dbraw/zinc/65/24/40/573652440.db2.gz MZSVZRQLHLQSJK-MRVPVSSYSA-N 0 0 183.226 1.977 10 0 ADAERN COc1c(CCO)ccc2c1CCC2 258080705 573652455 /nfs/dbraw/zinc/65/24/55/573652455.db2.gz NDXWMXBGXJTMCF-UHFFFAOYSA-N 0 0 192.258 1.719 10 0 ADAERN CCc1nc2c(N)cc(C)cn2n1 107813722 573652459 /nfs/dbraw/zinc/65/24/59/573652459.db2.gz HLFPSTCBADASPS-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN ONCc1ccccc1CC(F)F 258080710 573652472 /nfs/dbraw/zinc/65/24/72/573652472.db2.gz NEERKOPRLJLLFK-UHFFFAOYSA-N 0 0 187.189 1.973 10 0 ADAERN Cc1ccc2n1CCN(C=O)[C@@H]2C 96868905 573652476 /nfs/dbraw/zinc/65/24/76/573652476.db2.gz RBFBNBQWEBCEDL-SECBINFHSA-N 0 0 178.235 1.330 10 0 ADAERN OCCc1ccc([C@@H]2COCO2)cc1 258080729 573652479 /nfs/dbraw/zinc/65/24/79/573652479.db2.gz NEUPRTUUYIUWOM-NSHDSACASA-N 0 0 194.230 1.267 10 0 ADAERN COc1cccc(C2(C)COC2)c1 258506844 573652481 /nfs/dbraw/zinc/65/24/81/573652481.db2.gz FLXRGDXQHWXPPS-UHFFFAOYSA-N 0 0 178.231 1.983 10 0 ADAERN C[C@@H](C[N@H+](C)Cc1ccc[nH]1)C(=O)[O-] 258844301 573652510 /nfs/dbraw/zinc/65/25/10/573652510.db2.gz IJHCQLIRMLVVDP-QMMMGPOBSA-N 0 0 196.250 1.167 10 0 ADAERN CC(C)c1nc(N)nc([C@H]2C[C@@H]2C)n1 83811065 573652511 /nfs/dbraw/zinc/65/25/11/573652511.db2.gz XRARRSUHOKQDGO-BQBZGAKWSA-N 0 0 192.266 1.701 10 0 ADAERN CCCc1nc2c(N)ccc(C)n2n1 107815096 573652518 /nfs/dbraw/zinc/65/25/18/573652518.db2.gz FBCNZDJMWPSDFI-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN Cc1ncc(C=O)cc1OC(F)F 238466725 573652521 /nfs/dbraw/zinc/65/25/21/573652521.db2.gz RPVOSZVJSOEHOS-UHFFFAOYSA-N 0 0 187.145 1.804 10 0 ADAERN C[C@@](CO)(CC1COC1)c1ccco1 258508159 573652864 /nfs/dbraw/zinc/65/28/64/573652864.db2.gz FCSDXGWGCLSQJW-NSHDSACASA-N 0 0 196.246 1.566 10 0 ADAERN Cc1cc(N)c2nc(C3CC3)nn2c1 107813741 573652526 /nfs/dbraw/zinc/65/25/26/573652526.db2.gz DBZNYNJTNWVHFI-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN Cc1ccc(N[C@H](CO)CCO)cc1 258838269 573652527 /nfs/dbraw/zinc/65/25/27/573652527.db2.gz AGHJGGAAJHULKT-NSHDSACASA-N 0 0 195.262 1.150 10 0 ADAERN Cc1ccc2n1CCN(C=O)[C@H]2C 96868906 573652541 /nfs/dbraw/zinc/65/25/41/573652541.db2.gz RBFBNBQWEBCEDL-VIFPVBQESA-N 0 0 178.235 1.330 10 0 ADAERN COc1cc(C)c(O)cc1CCO 258080698 573652542 /nfs/dbraw/zinc/65/25/42/573652542.db2.gz NDAQRKVGJAGLRE-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN C[C@@H]1CNc2ccc(N)cc2N1 238457902 573652549 /nfs/dbraw/zinc/65/25/49/573652549.db2.gz ULTZHBFFPLCHJU-ZCFIWIBFSA-N 0 0 163.224 1.495 10 0 ADAERN COc1ccccc1-c1nncn1C 96867678 573652571 /nfs/dbraw/zinc/65/25/71/573652571.db2.gz VRYUOHBFMHYNSP-UHFFFAOYSA-N 0 0 189.218 1.491 10 0 ADAERN C[C@H]1Cc2c(cnn2C(N)=O)[C@H](C)C1 238466654 573652575 /nfs/dbraw/zinc/65/25/75/573652575.db2.gz YLPDQIZPQJWWFX-RNFRBKRXSA-N 0 0 193.250 1.496 10 0 ADAERN CCc1ccc(F)c(CNO)c1 258080540 573652579 /nfs/dbraw/zinc/65/25/79/573652579.db2.gz VRDPCVMOJWADQP-UHFFFAOYSA-N 0 0 169.199 1.867 10 0 ADAERN CNc1nc([C@H]2C[C@H]2C)ns1 83811139 573652596 /nfs/dbraw/zinc/65/25/96/573652596.db2.gz QQRAJOJUEWBSRE-UHNVWZDZSA-N 0 0 169.253 1.703 10 0 ADAERN CC(=O)C[C@H](C)OCC(F)F 130698590 573652613 /nfs/dbraw/zinc/65/26/13/573652613.db2.gz VGLDFHHFIMELOW-LURJTMIESA-N 0 0 166.167 1.636 10 0 ADAERN C[C@H]1C[C@@H]1c1ncc(C=O)cn1 83810421 573652625 /nfs/dbraw/zinc/65/26/25/573652625.db2.gz LUBYNBYSLBPEMO-XPUUQOCRSA-N 0 0 162.192 1.413 10 0 ADAERN Cc1c(C2CCCC2)c1=O 258844444 573652629 /nfs/dbraw/zinc/65/26/29/573652629.db2.gz QCNGIXSUNGGSMP-UHFFFAOYSA-N 0 0 136.194 1.888 10 0 ADAERN COCCCOc1cnsc1 258841560 573652640 /nfs/dbraw/zinc/65/26/40/573652640.db2.gz ZMUVVZHNYMYMKG-UHFFFAOYSA-N 0 0 173.237 1.558 10 0 ADAERN C[C@@H]1C[C@H]1c1ncc(C=O)cn1 83810422 573652651 /nfs/dbraw/zinc/65/26/51/573652651.db2.gz LUBYNBYSLBPEMO-HTRCEHHLSA-N 0 0 162.192 1.413 10 0 ADAERN C[C@H]1CC(O)C[C@H](C)C1CO 238466351 573652662 /nfs/dbraw/zinc/65/26/62/573652662.db2.gz WVZYXVOUDZQBBI-MSIFESELSA-N 0 0 158.241 1.022 10 0 ADAERN CCC[C@@H]1OC[C@H](CC(=O)OC)O1 258840217 573652667 /nfs/dbraw/zinc/65/26/67/573652667.db2.gz SBQDKTWMEZLIDL-IONNQARKSA-N 0 0 188.223 1.091 10 0 ADAERN Cn1ccnc1-c1cccc(O)c1 96868450 573652675 /nfs/dbraw/zinc/65/26/75/573652675.db2.gz ADFKXAUKYKBGIZ-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN NC(N)(c1ccccc1)c1ccccc1 33753822 573652678 /nfs/dbraw/zinc/65/26/78/573652678.db2.gz ZZTCPWRAHWXWCH-UHFFFAOYSA-N 0 0 198.269 1.805 10 0 ADAERN CC(=O)Cc1nc([C@@H]2C[C@@H]2C)no1 83810755 573652733 /nfs/dbraw/zinc/65/27/33/573652733.db2.gz CVQYITCAEFWDIZ-CAHLUQPWSA-N 0 0 180.207 1.325 10 0 ADAERN CCCc1nc(N)nc([C@@H]2C[C@@H]2C)n1 83811060 573652740 /nfs/dbraw/zinc/65/27/40/573652740.db2.gz DGAJMEMTLMUQCD-NKWVEPMBSA-N 0 0 192.266 1.530 10 0 ADAERN C[C@H](F)Cc1ccccc1CON 258080626 573652745 /nfs/dbraw/zinc/65/27/45/573652745.db2.gz MZSVZRQLHLQSJK-QMMMGPOBSA-N 0 0 183.226 1.977 10 0 ADAERN Clc1c[nH]c([C@@H]2CCOC2)n1 258506767 573652756 /nfs/dbraw/zinc/65/27/56/573652756.db2.gz KLRSQRXAOJUKMM-RXMQYKEDSA-N 0 0 172.615 1.567 10 0 ADAERN C[C@@H]1C[C@@H]1c1nccc(C[NH3+])n1 83810428 573652757 /nfs/dbraw/zinc/65/27/57/573652757.db2.gz ANCPRVUVJKXUNN-SVRRBLITSA-N 0 0 163.224 1.059 10 0 ADAERN Cc1ccccc1C1(CCO)COC1 258844397 573652785 /nfs/dbraw/zinc/65/27/85/573652785.db2.gz PZXKSPCVHMYHOF-UHFFFAOYSA-N 0 0 192.258 1.645 10 0 ADAERN Cc1cc(-c2nc(N)no2)ccc1N 83811956 573652787 /nfs/dbraw/zinc/65/27/87/573652787.db2.gz CYQGBZMNHXRMJP-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN COC(=O)[C@@](N)(C(F)F)C(C)(C)C 257841597 573652796 /nfs/dbraw/zinc/65/27/96/573652796.db2.gz MHQLZPPUUIPZMN-QMMMGPOBSA-N 0 0 195.209 1.168 10 0 ADAERN Cc1nc2oc(C3CC3)nc2cc1N 259543191 573652808 /nfs/dbraw/zinc/65/28/08/573652808.db2.gz BXLBSYOYBJFBMR-UHFFFAOYSA-N 0 0 189.218 1.991 10 0 ADAERN O=C1C[C@@H](c2ccccc2Cl)ON1 257841661 573652821 /nfs/dbraw/zinc/65/28/21/573652821.db2.gz MJBZBCZBVJIKGF-QMMMGPOBSA-N 0 0 197.621 1.833 10 0 ADAERN CCc1c[nH]c2cc(=O)ccn12 258509050 573652826 /nfs/dbraw/zinc/65/28/26/573652826.db2.gz LDHPIICHAQJFBI-UHFFFAOYSA-N 0 0 162.192 1.602 10 0 ADAERN CC(C)[C@H](C)[C@@H]1COC[C@H]1O 687981189 573652827 /nfs/dbraw/zinc/65/28/27/573652827.db2.gz GGRVHNHTWUYYSU-XHNCKOQMSA-N 0 0 158.241 1.286 10 0 ADAERN Cc1cccc2nc(C=O)c(C)n12 238458778 573653850 /nfs/dbraw/zinc/65/38/50/573653850.db2.gz YJLWFZDYTFXYSM-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN Cc1ccccc1-c1nncn1C 96867663 573653864 /nfs/dbraw/zinc/65/38/64/573653864.db2.gz GCVYVUJOOZHHJX-UHFFFAOYSA-N 0 0 173.219 1.791 10 0 ADAERN CN1CCCC[C@@H]1Oc1cn[nH]c1 258837437 573653869 /nfs/dbraw/zinc/65/38/69/573653869.db2.gz ZHXGSTVMJZUFOM-VIFPVBQESA-N 0 0 181.239 1.230 10 0 ADAERN NC(=S)[C@H]1CCCCC[C@H]1O 83811821 573653882 /nfs/dbraw/zinc/65/38/82/573653882.db2.gz QCCFNZNCHLHGJQ-NKWVEPMBSA-N 0 0 173.281 1.214 10 0 ADAERN CNc1nc([C@H]2C[C@@H]2C)ns1 83811140 573653979 /nfs/dbraw/zinc/65/39/79/573653979.db2.gz QQRAJOJUEWBSRE-WHFBIAKZSA-N 0 0 169.253 1.703 10 0 ADAERN C[C@H]1C[C@H]1c1nc(Cl)n[nH]1 83811095 573653643 /nfs/dbraw/zinc/65/36/43/573653643.db2.gz FJWSLKFCJRPVJT-IUYQGCFVSA-N 0 0 157.604 1.582 10 0 ADAERN COc1ccc(F)c(C2(O)CC2)c1O 258080629 573653649 /nfs/dbraw/zinc/65/36/49/573653649.db2.gz MZYUWQIUMXQDDP-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN CCc1nc(NC)oc1C 258506386 573653657 /nfs/dbraw/zinc/65/36/57/573653657.db2.gz DVOGOVDMUCDMRS-UHFFFAOYSA-N 0 0 140.186 1.587 10 0 ADAERN CC(C)OC(=O)[C@@H](C)NC1CCCC1 308657559 573653659 /nfs/dbraw/zinc/65/36/59/573653659.db2.gz OSJITEQIZYFUQY-SECBINFHSA-N 0 0 199.294 1.859 10 0 ADAERN Cc1cc(C)nc([C@H](CO)C(C)C)n1 259151826 573653661 /nfs/dbraw/zinc/65/36/61/573653661.db2.gz RXLXXPAOCMJEET-SNVBAGLBSA-N 0 0 194.278 1.825 10 0 ADAERN Cc1cc(N)ccc1-c1nc(N)no1 83811875 573653662 /nfs/dbraw/zinc/65/36/62/573653662.db2.gz SSLYRJLLDUTZTG-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN C[C@H]1C[Si](C)(C)C[C@H]1O 238457997 573653678 /nfs/dbraw/zinc/65/36/78/573653678.db2.gz JSIFPNLPGQRWFW-NKWVEPMBSA-N 0 0 144.290 1.705 10 0 ADAERN Cc1cccc2c1nc(CO)n2C 238458184 573653688 /nfs/dbraw/zinc/65/36/88/573653688.db2.gz BTYZJDAIHAZQCV-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN O[C@@H]1COC[C@H]1C1CC2(CCC2)C1 717520373 573653696 /nfs/dbraw/zinc/65/36/96/573653696.db2.gz ACDSNWYKSIKHCI-VHSXEESVSA-N 0 0 182.263 1.574 10 0 ADAERN OCc1cccc([C@@H]2C[C@H]2O)c1 259543219 573653715 /nfs/dbraw/zinc/65/37/15/573653715.db2.gz BXVPKRQTUOUPOT-VHSXEESVSA-N 0 0 164.204 1.027 10 0 ADAERN C[NH2+][C@@H](c1ccccn1)[C@@H](C)C(=O)[O-] 259542901 573653724 /nfs/dbraw/zinc/65/37/24/573653724.db2.gz VJSOKTMKJOUZQG-VXNVDRBHSA-N 0 0 194.234 1.063 10 0 ADAERN Cc1c(CO)ncc(N)c1C(F)F 238458645 573653726 /nfs/dbraw/zinc/65/37/26/573653726.db2.gz RTUOIJWOIPMFQG-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)n1[nH]c(=O)c2c1CCSC2 257841452 573653727 /nfs/dbraw/zinc/65/37/27/573653727.db2.gz KCKMQZUCHSGGNE-UHFFFAOYSA-N 0 0 198.291 1.959 10 0 ADAERN CCCc1nc2ccc(C=O)cn2n1 107820251 573653733 /nfs/dbraw/zinc/65/37/33/573653733.db2.gz ZABJFWUIYXMNQW-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN Cc1cc2nncn2c2c(N)cccc12 257841322 573653734 /nfs/dbraw/zinc/65/37/34/573653734.db2.gz BRQVYPYHBARFEE-UHFFFAOYSA-N 0 0 198.229 1.773 10 0 ADAERN NC(=S)[C@H]1CCCCC[C@@H]1O 83811823 573653739 /nfs/dbraw/zinc/65/37/39/573653739.db2.gz QCCFNZNCHLHGJQ-BQBZGAKWSA-N 0 0 173.281 1.214 10 0 ADAERN C[C@@H]1CO[C@H](c2cccc(O)c2)N1 258509022 573653746 /nfs/dbraw/zinc/65/37/46/573653746.db2.gz MNSLGEFYSYODHO-GMSGAONNSA-N 0 0 179.219 1.399 10 0 ADAERN O=N[C@H]1NC(=O)c2ccccc21 107802489 573653756 /nfs/dbraw/zinc/65/37/56/573653756.db2.gz LNPUNBOJDYLDJB-SSDOTTSWSA-N 0 0 162.148 1.195 10 0 ADAERN Cc1cccc2c1c(CO)nn2C 238458319 573653876 /nfs/dbraw/zinc/65/38/76/573653876.db2.gz AMZUWPHYFKSYDV-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN FCc1ccnc(Cl)n1 258509010 573653776 /nfs/dbraw/zinc/65/37/76/573653776.db2.gz LDBQVRXQHMAPAB-UHFFFAOYSA-N 0 0 146.552 1.600 10 0 ADAERN CCCc1nc(N)nc([C@H]2C[C@@H]2C)n1 83811061 573653780 /nfs/dbraw/zinc/65/37/80/573653780.db2.gz DGAJMEMTLMUQCD-BQBZGAKWSA-N 0 0 192.266 1.530 10 0 ADAERN O=C([O-])CC1([NH+]2CC3(CC3)C2)CCC1 86852762 573653783 /nfs/dbraw/zinc/65/37/83/573653783.db2.gz NLCFLGINDWXFMW-UHFFFAOYSA-N 0 0 195.262 1.480 10 0 ADAERN Cc1cc2nccn2cc1C=O 107816217 573653790 /nfs/dbraw/zinc/65/37/90/573653790.db2.gz XFRWAIJHRMAOPV-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN C[C@]1(n2cncn2)CCCC(=O)C1 238471203 573653795 /nfs/dbraw/zinc/65/37/95/573653795.db2.gz MLUPBADTTSAANU-VIFPVBQESA-N 0 0 179.223 1.136 10 0 ADAERN Cc1cc(CO)nc([C@H]2C[C@H]2C)n1 83810559 573653798 /nfs/dbraw/zinc/65/37/98/573653798.db2.gz HWWXWPGHPXPXSW-MUWHJKNJSA-N 0 0 178.235 1.401 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(N)nc(C2CC2)n1 83811070 573653804 /nfs/dbraw/zinc/65/38/04/573653804.db2.gz CWMPYJARCISUDY-IYSWYEEDSA-N 0 0 190.250 1.455 10 0 ADAERN CCC[C@@H](C)C[C@H](NN)c1cn[nH]c1 308657197 573653805 /nfs/dbraw/zinc/65/38/05/573653805.db2.gz OAOXQRNFRUQPRD-SCZZXKLOSA-N 0 0 196.298 1.740 10 0 ADAERN COC(=O)c1c[nH]c([C@@H]2C[C@@H]2C)n1 83810311 573653811 /nfs/dbraw/zinc/65/38/11/573653811.db2.gz VYBHBKGUKCJARO-NTSWFWBYSA-N 0 0 180.207 1.320 10 0 ADAERN COC[C@@H](C)[C@@H](C)NC(=O)C=C(C)C 308656620 573653812 /nfs/dbraw/zinc/65/38/12/573653812.db2.gz NTHJBKXDYKKEOP-NXEZZACHSA-N 0 0 199.294 1.740 10 0 ADAERN C[C@H]1C[C@H]1c1nc(C=O)c[nH]1 83811083 573653821 /nfs/dbraw/zinc/65/38/21/573653821.db2.gz CITGSESYWWFQTQ-CAHLUQPWSA-N 0 0 150.181 1.346 10 0 ADAERN CNc1nc([C@@H]2C[C@@H]2C)ns1 83811142 573653827 /nfs/dbraw/zinc/65/38/27/573653827.db2.gz QQRAJOJUEWBSRE-CRCLSJGQSA-N 0 0 169.253 1.703 10 0 ADAERN CCCCC(=O)C1=NCCC1 107805322 573653841 /nfs/dbraw/zinc/65/38/41/573653841.db2.gz ZPWPJKCGQHNJEP-UHFFFAOYSA-N 0 0 153.225 1.981 10 0 ADAERN COc1c(O)cccc1[C@@H](C)CO 257841162 573653845 /nfs/dbraw/zinc/65/38/45/573653845.db2.gz OCMIASRDBYZVNI-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN Cc1ncnc2c1N[C@H](C)CN2 238458535 573653889 /nfs/dbraw/zinc/65/38/89/573653889.db2.gz RPQREHXDXMOMRB-RXMQYKEDSA-N 0 0 164.212 1.011 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(C=O)c[nH]1 83811082 573653890 /nfs/dbraw/zinc/65/38/90/573653890.db2.gz CITGSESYWWFQTQ-IYSWYEEDSA-N 0 0 150.181 1.346 10 0 ADAERN Cc1ccc(NC(=O)C=O)cc1C 258840495 573653897 /nfs/dbraw/zinc/65/38/97/573653897.db2.gz WRHSTJQXXQWVNU-UHFFFAOYSA-N 0 0 177.203 1.441 10 0 ADAERN C[C@H]1NC(=S)O[C@H]1c1ccccn1 238470955 573653900 /nfs/dbraw/zinc/65/39/00/573653900.db2.gz RNGZWEOQDHFJNS-HTRCEHHLSA-N 0 0 194.259 1.416 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C)ncc1[C@@H](C)O 83810560 573653902 /nfs/dbraw/zinc/65/39/02/573653902.db2.gz ZDYYVNMTCMVGTB-NBEYISGCSA-N 0 0 192.262 1.962 10 0 ADAERN CCCc1nc2c(N)cc(C)cn2n1 107813726 573653908 /nfs/dbraw/zinc/65/39/08/573653908.db2.gz ORUVCKMMARVLKE-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN Cc1ccc(N)c2nc(C(C)C)nn12 107815101 573654079 /nfs/dbraw/zinc/65/40/79/573654079.db2.gz DLOLSAUDVNCVJA-UHFFFAOYSA-N 0 0 190.250 1.743 10 0 ADAERN CNc1nc([C@@H]2C[C@H]2C)ns1 83811141 573653919 /nfs/dbraw/zinc/65/39/19/573653919.db2.gz QQRAJOJUEWBSRE-RFZPGFLSSA-N 0 0 169.253 1.703 10 0 ADAERN C[C@@H]1CCC(C)(C)C[C@H]1NC=O 717520177 573653920 /nfs/dbraw/zinc/65/39/20/573653920.db2.gz XQONODVSZAISEL-RKDXNWHRSA-N 0 0 169.268 1.947 10 0 ADAERN CC[C@@H](C)NC(=O)C1(CO)CCC1 258843741 573653929 /nfs/dbraw/zinc/65/39/29/573653929.db2.gz WYJIKNIXEXZASA-MRVPVSSYSA-N 0 0 185.267 1.064 10 0 ADAERN C[C@H]1CN=C(c2ccccc2O)OC1 238458959 573653933 /nfs/dbraw/zinc/65/39/33/573653933.db2.gz GBYALCCJIMWFSR-QMMMGPOBSA-N 0 0 191.230 1.805 10 0 ADAERN CC1(C)C[NH+](C2(CC(=O)[O-])CCC2)C1 86852769 573653937 /nfs/dbraw/zinc/65/39/37/573653937.db2.gz DKLXNZZZKSGBKX-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CCC(CC)(CCO)CCO 33755288 573653950 /nfs/dbraw/zinc/65/39/50/573653950.db2.gz IHYOEGZUFPLXIS-UHFFFAOYSA-N 0 0 160.257 1.558 10 0 ADAERN Cc1cc(C=O)nc([C@@H]2C[C@@H]2C)n1 83810416 573653955 /nfs/dbraw/zinc/65/39/55/573653955.db2.gz HVLVEHHNEOEQPU-IMTBSYHQSA-N 0 0 176.219 1.721 10 0 ADAERN C[C@H]1NC(=S)O[C@@H]1c1ccncc1 238470918 573653958 /nfs/dbraw/zinc/65/39/58/573653958.db2.gz KXNILGFSTMYHFX-SVRRBLITSA-N 0 0 194.259 1.416 10 0 ADAERN CCc1nc(C=O)c2n1CCCN2 258508165 573653959 /nfs/dbraw/zinc/65/39/59/573653959.db2.gz BKOPPTGWDLWOIC-UHFFFAOYSA-N 0 0 179.223 1.074 10 0 ADAERN C[C@H]1C[C@H]1c1ncc(C=O)cn1 83810423 573653965 /nfs/dbraw/zinc/65/39/65/573653965.db2.gz LUBYNBYSLBPEMO-POYBYMJQSA-N 0 0 162.192 1.413 10 0 ADAERN C[C@@H]1[C@H](CO)CC1(C)C 238458258 573654015 /nfs/dbraw/zinc/65/40/15/573654015.db2.gz KTVIDQXJPJEWKU-RQJHMYQMSA-N 0 0 128.215 1.661 10 0 ADAERN Cc1cc(C)nc([C@@H](CO)C(C)C)n1 259151823 573654045 /nfs/dbraw/zinc/65/40/45/573654045.db2.gz RXLXXPAOCMJEET-JTQLQIEISA-N 0 0 194.278 1.825 10 0 ADAERN COc1cc(C2COC2)c(F)cc1N 224487169 573654046 /nfs/dbraw/zinc/65/40/46/573654046.db2.gz ABRHCFOJDHMRQL-UHFFFAOYSA-N 0 0 197.209 1.530 10 0 ADAERN C[C@H]1CC[C@H]([C@@]2(C)CO2)CC1=O 238458178 573654048 /nfs/dbraw/zinc/65/40/48/573654048.db2.gz QZMAEXOOJKMJHZ-OYNCUSHFSA-N 0 0 168.236 1.781 10 0 ADAERN CC(C)N1C(=O)CC2(CCC2)NC1=O 86852738 573654051 /nfs/dbraw/zinc/65/40/51/573654051.db2.gz SHKNPRFYRJZZBQ-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN CCc1nc2c(C)cc(C=O)cn2n1 107820098 573654053 /nfs/dbraw/zinc/65/40/53/573654053.db2.gz BPFSWCXAPVMVHK-UHFFFAOYSA-N 0 0 189.218 1.413 10 0 ADAERN Cc1c(C(F)F)ccnc1CO 238458759 573654058 /nfs/dbraw/zinc/65/40/58/573654058.db2.gz XJKDPJZPCMFPMO-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN Cc1ccccc1[C@]1(C)NCCC1=O 258843452 573654061 /nfs/dbraw/zinc/65/40/61/573654061.db2.gz KCELMSSTPNPVBP-LBPRGKRZSA-N 0 0 189.258 1.773 10 0 ADAERN CCc1nc2c(N)ccc(C)n2n1 107815093 573654101 /nfs/dbraw/zinc/65/41/01/573654101.db2.gz IFNRCOLHRCOZIB-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CCc1cccc(C)c1NC(=O)C=O 258838132 573654115 /nfs/dbraw/zinc/65/41/15/573654115.db2.gz WMAIKAUPOIRPIM-UHFFFAOYSA-N 0 0 191.230 1.695 10 0 ADAERN C[C@H]1C[C@H]1c1nccc(C[NH3+])n1 83810431 573654117 /nfs/dbraw/zinc/65/41/17/573654117.db2.gz ANCPRVUVJKXUNN-POYBYMJQSA-N 0 0 163.224 1.059 10 0 ADAERN C[C@@H]1COC(c2ccc(O)cc2)=N1 238458848 573654139 /nfs/dbraw/zinc/65/41/39/573654139.db2.gz YQXFOLGFFXSGMQ-SSDOTTSWSA-N 0 0 177.203 1.558 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(N)nc(C2CC2)n1 83811068 573654169 /nfs/dbraw/zinc/65/41/69/573654169.db2.gz CWMPYJARCISUDY-VDTYLAMSSA-N 0 0 190.250 1.455 10 0 ADAERN Cn1cnnc1-c1ccccc1F 96868443 573654175 /nfs/dbraw/zinc/65/41/75/573654175.db2.gz YHRUPTFTMAZBAX-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN C[C@H]1C[C@@H]1c1nc2c(s1)C[NH2+]CC2 83810369 573654186 /nfs/dbraw/zinc/65/41/86/573654186.db2.gz GCLKAWQYHVENIB-BQBZGAKWSA-N 0 0 194.303 1.912 10 0 ADAERN [NH3+][C@H](/C=C/c1cccc(F)c1)C(=O)[O-] 257841289 573654203 /nfs/dbraw/zinc/65/42/03/573654203.db2.gz MGKZVALSTYSDAM-XNPJLODASA-N 0 0 195.193 1.251 10 0 ADAERN CC(C)CCCN(C)N 257841616 573654214 /nfs/dbraw/zinc/65/42/14/573654214.db2.gz OGITZXGRBDZNJU-UHFFFAOYSA-N 0 0 130.235 1.228 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(Cl)n[nH]1 83811092 573654221 /nfs/dbraw/zinc/65/42/21/573654221.db2.gz FJWSLKFCJRPVJT-DMTCNVIQSA-N 0 0 157.604 1.582 10 0 ADAERN O[C@H]1CCn2c1nc1cccc(F)c12 259543261 573654241 /nfs/dbraw/zinc/65/42/41/573654241.db2.gz BYKOTHXGHZTIPK-QMMMGPOBSA-N 0 0 192.193 1.613 10 0 ADAERN COc1ccc(-c2c[nH][nH]c2=O)cc1 258844432 573654243 /nfs/dbraw/zinc/65/42/43/573654243.db2.gz QCDNLHLIJJGSKR-UHFFFAOYSA-N 0 0 190.202 1.791 10 0 ADAERN CCc1nc2ccc(N)c(C)n2n1 107815357 573654253 /nfs/dbraw/zinc/65/42/53/573654253.db2.gz VWBUKICBAFSKEL-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN CO[C@@]1(CO)CCc2c(C)cccc21 257841208 573654263 /nfs/dbraw/zinc/65/42/63/573654263.db2.gz MEAKPGUHQRNVKO-GFCCVEGCSA-N 0 0 192.258 1.775 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CC[C@H](F)C1 388471963 573654268 /nfs/dbraw/zinc/65/42/68/573654268.db2.gz NNAHYFJMXDYGRH-HZHJCBGQSA-N 0 0 171.215 1.569 10 0 ADAERN CCN1c2ccccc2C[C@H]1[C@H](C)O 257841781 573654272 /nfs/dbraw/zinc/65/42/72/573654272.db2.gz BYOFAGBKQBZLLW-CABZTGNLSA-N 0 0 191.274 1.818 10 0 ADAERN C[C@H](C[N@H+](C)Cc1ccc[nH]1)C(=O)[O-] 258844299 573654291 /nfs/dbraw/zinc/65/42/91/573654291.db2.gz IJHCQLIRMLVVDP-MRVPVSSYSA-N 0 0 196.250 1.167 10 0 ADAERN CC(C)c1nc(N)nc([C@@H]2C[C@@H]2C)n1 83811067 573654296 /nfs/dbraw/zinc/65/42/96/573654296.db2.gz XRARRSUHOKQDGO-NKWVEPMBSA-N 0 0 192.266 1.701 10 0 ADAERN Cc1ccc([C@@](C)(CO)CON)cc1 257841220 573654304 /nfs/dbraw/zinc/65/43/04/573654304.db2.gz MEISNNJFVZZRSP-NSHDSACASA-N 0 0 195.262 1.135 10 0 ADAERN Cc1cc(C=O)nc([C@H]2C[C@H]2C)n1 83810419 573654310 /nfs/dbraw/zinc/65/43/10/573654310.db2.gz HVLVEHHNEOEQPU-MUWHJKNJSA-N 0 0 176.219 1.721 10 0 ADAERN COc1c(C)cc(C)cc1N(C)CO 258842456 573654314 /nfs/dbraw/zinc/65/43/14/573654314.db2.gz CLSJIZIRBGIEOZ-UHFFFAOYSA-N 0 0 195.262 1.698 10 0 ADAERN Cn1c(C2CC2)cnc1Cl 258506807 573654317 /nfs/dbraw/zinc/65/43/17/573654317.db2.gz KNJFJXGIKGYTOZ-UHFFFAOYSA-N 0 0 156.616 1.951 10 0 ADAERN C[C@@H]1C[C@@H]1c1ncc(C=O)cn1 83810420 573654321 /nfs/dbraw/zinc/65/43/21/573654321.db2.gz LUBYNBYSLBPEMO-SVRRBLITSA-N 0 0 162.192 1.413 10 0 ADAERN C[C@@H]1COC(c2ccc(O)cc2O)=N1 238458871 573654324 /nfs/dbraw/zinc/65/43/24/573654324.db2.gz GCSIBTNGMOYOMH-ZCFIWIBFSA-N 0 0 193.202 1.263 10 0 ADAERN Cc1cc(C=O)nc([C@@H]2C[C@H]2C)n1 83810418 573654337 /nfs/dbraw/zinc/65/43/37/573654337.db2.gz HVLVEHHNEOEQPU-HZGVNTEJSA-N 0 0 176.219 1.721 10 0 ADAERN C[C@]1(CO)CCC[C@@H]1F 257841624 573654362 /nfs/dbraw/zinc/65/43/62/573654362.db2.gz OGLMMRMSLMIBAL-NKWVEPMBSA-N 0 0 132.178 1.507 10 0 ADAERN C[C@H](O)[C@H]1C[C@H]1C 83811128 573654377 /nfs/dbraw/zinc/65/43/77/573654377.db2.gz WLNGEWJRGOHNAA-SRQIZXRXSA-N 0 0 100.161 1.023 10 0 ADAERN Cc1nc2[nH]c(=O)c1C[C@H](C)S2 238458378 573654378 /nfs/dbraw/zinc/65/43/78/573654378.db2.gz PCDYNTZIPDDZAS-BYPYZUCNSA-N 0 0 182.248 1.115 10 0 ADAERN O=Cc1ccc(Cl)c2c1OCCO2 257841879 573654385 /nfs/dbraw/zinc/65/43/85/573654385.db2.gz KHEOZONSKCMRJI-UHFFFAOYSA-N 0 0 198.605 1.924 10 0 ADAERN C[C@@H]1CCC(C)(C)C[C@@H]1NC=O 717520168 573654389 /nfs/dbraw/zinc/65/43/89/573654389.db2.gz XQONODVSZAISEL-BDAKNGLRSA-N 0 0 169.268 1.947 10 0 ADAERN CCCn1nnc2cnccc21 258082851 573654711 /nfs/dbraw/zinc/65/47/11/573654711.db2.gz BHJWYZUWDRUPLW-UHFFFAOYSA-N 0 0 162.196 1.236 10 0 ADAERN NOCc1cc2c(cc1F)COCO2 258081726 573654395 /nfs/dbraw/zinc/65/43/95/573654395.db2.gz JAYQVARJXJMQMH-UHFFFAOYSA-N 0 0 199.181 1.083 10 0 ADAERN Cc1c(C(F)F)cc(F)nc1CO 238458154 573654713 /nfs/dbraw/zinc/65/47/13/573654713.db2.gz YOTFXONKCVUSPV-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(C)(O)[C@@H]1Cc2cc(O)ccc2N1 258081786 573654406 /nfs/dbraw/zinc/65/44/06/573654406.db2.gz MVUUMFBAQPRUPW-JTQLQIEISA-N 0 0 193.246 1.500 10 0 ADAERN Cc1cccc(C)c1[C@@H]1CNC(=O)C1 96868490 573654412 /nfs/dbraw/zinc/65/44/12/573654412.db2.gz YUHKJWNWIQVVBB-JTQLQIEISA-N 0 0 189.258 1.907 10 0 ADAERN ONCc1cc(F)c(F)c(F)c1F 259542841 573654416 /nfs/dbraw/zinc/65/44/16/573654416.db2.gz VHSYXYZFOGVENT-UHFFFAOYSA-N 0 0 195.115 1.722 10 0 ADAERN Cc1nc(CC(C)C)oc1C(=O)CN 257841290 573654440 /nfs/dbraw/zinc/65/44/40/573654440.db2.gz MGLHQWOITYNWOX-UHFFFAOYSA-N 0 0 196.250 1.323 10 0 ADAERN Cc1ccn2nc(C(C)C)nc2c1N 107814448 573654446 /nfs/dbraw/zinc/65/44/46/573654446.db2.gz ZIRMJKWHSLNZMU-UHFFFAOYSA-N 0 0 190.250 1.743 10 0 ADAERN CCCOC(=O)N1CCCC(=O)C1 258506372 573654496 /nfs/dbraw/zinc/65/44/96/573654496.db2.gz DUPWAYXGLRIWTP-UHFFFAOYSA-N 0 0 185.223 1.198 10 0 ADAERN Nc1ccc(F)c(-c2nc(N)no2)c1 83811965 573654505 /nfs/dbraw/zinc/65/45/05/573654505.db2.gz IKNKZZCCLFMCHQ-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN C[C@@H]1CO[C@@H](c2cccc(O)c2)N1 258509026 573654510 /nfs/dbraw/zinc/65/45/10/573654510.db2.gz MNSLGEFYSYODHO-XCBNKYQSSA-N 0 0 179.219 1.399 10 0 ADAERN C[C@H]1CN(c2cccc(O)c2)C(=O)O1 257842141 573654515 /nfs/dbraw/zinc/65/45/15/573654515.db2.gz MNISRCZHMLIMCL-ZETCQYMHSA-N 0 0 193.202 1.737 10 0 ADAERN CCc1nc2c(N)cc(F)cn2n1 107814155 573654520 /nfs/dbraw/zinc/65/45/20/573654520.db2.gz YAJXQQNJDPRGMC-UHFFFAOYSA-N 0 0 180.186 1.013 10 0 ADAERN Cc1cc(C)n(CO)c1 238458438 573654521 /nfs/dbraw/zinc/65/45/21/573654521.db2.gz SCUIZBGZHNUOMD-UHFFFAOYSA-N 0 0 125.171 1.055 10 0 ADAERN CC(=O)Cc1nc([C@H]2C[C@@H]2C)no1 83810753 573654526 /nfs/dbraw/zinc/65/45/26/573654526.db2.gz CVQYITCAEFWDIZ-FSPLSTOPSA-N 0 0 180.207 1.325 10 0 ADAERN CCc1nc2cc(C)c(C=O)cn2n1 107820344 573654537 /nfs/dbraw/zinc/65/45/37/573654537.db2.gz DTWNNGWHWTWWSH-UHFFFAOYSA-N 0 0 189.218 1.413 10 0 ADAERN CC(=O)c1occc1N1CC[C@H](O)C1 75624555 573654539 /nfs/dbraw/zinc/65/45/39/573654539.db2.gz VKPGMQKKCWYFJP-QMMMGPOBSA-N 0 0 195.218 1.053 10 0 ADAERN COc1cccc2nc(CO)c(C)n12 259543223 573654542 /nfs/dbraw/zinc/65/45/42/573654542.db2.gz BXXHGFWLYAVXAW-UHFFFAOYSA-N 0 0 192.218 1.144 10 0 ADAERN C[C@@H]1C[C@@H]1c1nccc(C=O)n1 83810412 573654556 /nfs/dbraw/zinc/65/45/56/573654556.db2.gz YUHVYHTUFXPSOJ-SVRRBLITSA-N 0 0 162.192 1.413 10 0 ADAERN C[C@H]1C(=O)N[C@H]1C[Si](C)(C)C 238458631 573654557 /nfs/dbraw/zinc/65/45/57/573654557.db2.gz RPXPVIGZVVXMJF-RQJHMYQMSA-N 0 0 171.316 1.459 10 0 ADAERN Cc1ccc(N)cc1-c1nc(N)no1 83811883 573654723 /nfs/dbraw/zinc/65/47/23/573654723.db2.gz LKOLQWCNHDNYOB-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN C[NH2+][C@@H](c1ccccn1)[C@H](C)C(=O)[O-] 259542899 573654573 /nfs/dbraw/zinc/65/45/73/573654573.db2.gz VJSOKTMKJOUZQG-IONNQARKSA-N 0 0 194.234 1.063 10 0 ADAERN CCNc1nc([C@H]2C[C@H]2C)no1 83810379 573654580 /nfs/dbraw/zinc/65/45/80/573654580.db2.gz TVYSNCICIGXVSU-RITPCOANSA-N 0 0 167.212 1.625 10 0 ADAERN OCCCc1nc2c(s1)CCCC2 257842006 573654581 /nfs/dbraw/zinc/65/45/81/573654581.db2.gz BYKNREXPOYANQC-UHFFFAOYSA-N 0 0 197.303 1.947 10 0 ADAERN CNSC1CCCC1 259152054 573654593 /nfs/dbraw/zinc/65/45/93/573654593.db2.gz FRCVOKRJQCOROA-UHFFFAOYSA-N 0 0 131.244 1.797 10 0 ADAERN Cc1oc(N)nc1[C@H]1CCCO1 259543319 573654595 /nfs/dbraw/zinc/65/45/95/573654595.db2.gz BZNCKMUWHSUVHC-ZCFIWIBFSA-N 0 0 168.196 1.417 10 0 ADAERN COCc1ccccc1C[C@H](C)O 258082362 573654597 /nfs/dbraw/zinc/65/45/97/573654597.db2.gz VTRWZMATHVZZOM-VIFPVBQESA-N 0 0 180.247 1.756 10 0 ADAERN Nc1noc(-c2ccc(F)cc2N)n1 83811957 573654637 /nfs/dbraw/zinc/65/46/37/573654637.db2.gz YWRBVSIEDUTSLN-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN C[C@@H]1CC[N@@H+]1C1(CC(=O)[O-])CCC1 86852796 573654670 /nfs/dbraw/zinc/65/46/70/573654670.db2.gz XJZVTRVZFHHDIB-MRVPVSSYSA-N 0 0 183.251 1.478 10 0 ADAERN CC(=O)c1nc([C@H]2C[C@H]2C)no1 83810748 573654649 /nfs/dbraw/zinc/65/46/49/573654649.db2.gz TWOKCUFANNDFKQ-XINAWCOVSA-N 0 0 166.180 1.396 10 0 ADAERN COCCc1nc2cccnc2n1C 258082751 573654654 /nfs/dbraw/zinc/65/46/54/573654654.db2.gz BGLZAYLNVCDWEB-UHFFFAOYSA-N 0 0 191.234 1.157 10 0 ADAERN C[C@H](O)/C=C\c1ccc(O)cc1 218254553 573654659 /nfs/dbraw/zinc/65/46/59/573654659.db2.gz FOJHWRWBCJHEBS-KZUAUGPASA-N 0 0 164.204 1.786 10 0 ADAERN OCCc1nc([C@@H]2CCCO2)cs1 258082768 573654671 /nfs/dbraw/zinc/65/46/71/573654671.db2.gz MJLBHCCBEUNHHC-QMMMGPOBSA-N 0 0 199.275 1.529 10 0 ADAERN Cc1cccc([C@H]2CNNC(=O)O2)c1 257842137 573654681 /nfs/dbraw/zinc/65/46/81/573654681.db2.gz MNICTJNRPCVEGR-SECBINFHSA-N 0 0 192.218 1.281 10 0 ADAERN Nc1cc(F)cn2nc(C3CC3)nc12 107814185 573654693 /nfs/dbraw/zinc/65/46/93/573654693.db2.gz QHGOQPSNRWAWQP-UHFFFAOYSA-N 0 0 192.197 1.328 10 0 ADAERN O=Cc1nocc1-c1ccccc1O 257841593 573654700 /nfs/dbraw/zinc/65/47/00/573654700.db2.gz OFQOZESHVIKCQB-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CC(C)c1nc(N)cn1C 75620501 573657080 /nfs/dbraw/zinc/65/70/80/573657080.db2.gz UYHLJUXKXWTFQG-UHFFFAOYSA-N 0 0 139.202 1.126 10 0 ADAERN COc1c(O)cccc1[C@@H](F)CO 257841167 573657119 /nfs/dbraw/zinc/65/71/19/573657119.db2.gz OCWVTZCMFPRFLO-ZETCQYMHSA-N 0 0 186.182 1.404 10 0 ADAERN CCc1cc(F)cc(CCON)c1 258083148 573657069 /nfs/dbraw/zinc/65/70/69/573657069.db2.gz NFSHJRLNHVWINX-UHFFFAOYSA-N 0 0 183.226 1.821 10 0 ADAERN C[C@@H]1Cc2ccc(CCON)cc2O1 258083372 573657098 /nfs/dbraw/zinc/65/70/98/573657098.db2.gz NIWMGTUSNGOSSD-MRVPVSSYSA-N 0 0 193.246 1.443 10 0 ADAERN C[C@@H](O)c1cn(C)c2c(O)cccc12 258083525 573657047 /nfs/dbraw/zinc/65/70/47/573657047.db2.gz HNGWBYYPGYEBRA-SSDOTTSWSA-N 0 0 191.230 1.937 10 0 ADAERN O=C(COCC(F)F)c1ccco1 130700491 573657050 /nfs/dbraw/zinc/65/70/50/573657050.db2.gz HYGHKRMRSGVMHU-UHFFFAOYSA-N 0 0 190.145 1.744 10 0 ADAERN Cc1ccc(O)c2c1OCCC2=O 238458397 573657054 /nfs/dbraw/zinc/65/70/54/573657054.db2.gz GELPOGMHQICMKY-UHFFFAOYSA-N 0 0 178.187 1.666 10 0 ADAERN Cc1ccccc1[C@@]1(C)CC(=O)CN1 258851106 573657064 /nfs/dbraw/zinc/65/70/64/573657064.db2.gz KNNWPCCBDAIAAP-GFCCVEGCSA-N 0 0 189.258 1.773 10 0 ADAERN CC(=O)c1ccc2c(c1F)OCO2 258083211 573657065 /nfs/dbraw/zinc/65/70/65/573657065.db2.gz NGNRSIDAAYJKNX-UHFFFAOYSA-N 0 0 182.150 1.757 10 0 ADAERN C[C@@H]1C[C@H]1c1nccc(C=O)n1 83810414 573657103 /nfs/dbraw/zinc/65/71/03/573657103.db2.gz YUHVYHTUFXPSOJ-HTRCEHHLSA-N 0 0 162.192 1.413 10 0 ADAERN C[C@H]1SCC[C@@]1(O)C(F)(F)F 235632330 573667758 /nfs/dbraw/zinc/66/77/58/573667758.db2.gz MTUVYYUJVGXDKE-UHNVWZDZSA-N 0 0 186.198 1.805 10 0 ADAERN Cc1ccccc1NC(=O)[C@@H](C)ON 107833879 573658082 /nfs/dbraw/zinc/65/80/82/573658082.db2.gz TYYNBKKONJMDOU-MRVPVSSYSA-N 0 0 194.234 1.212 10 0 ADAERN Cc1cc(CC(N)=O)sc1C 238471847 573658086 /nfs/dbraw/zinc/65/80/86/573658086.db2.gz LBDBBCDXPHJFBP-UHFFFAOYSA-N 0 0 169.249 1.393 10 0 ADAERN FCOc1ccc2c(c1)NCC2 258083837 573657938 /nfs/dbraw/zinc/65/79/38/573657938.db2.gz RBTLRGFZLGJQDI-UHFFFAOYSA-N 0 0 167.183 1.960 10 0 ADAERN C[N@@H+]1CCCC[C@H]1/C=C\CC(=O)[O-] 258081102 573657963 /nfs/dbraw/zinc/65/79/63/573657963.db2.gz FXOYFAGIHRMSFF-RNEXMXFGSA-N 0 0 183.251 1.502 10 0 ADAERN Cc1ccc(SNC(N)=O)cc1 238472514 573657968 /nfs/dbraw/zinc/65/79/68/573657968.db2.gz ZEHQDXMULTWGOD-UHFFFAOYSA-N 0 0 182.248 1.670 10 0 ADAERN C[C@H](CO)c1cc(N(C)C)ccc1O 258083223 573657981 /nfs/dbraw/zinc/65/79/81/573657981.db2.gz NGROBNXUXKPNAY-MRVPVSSYSA-N 0 0 195.262 1.554 10 0 ADAERN C[C@@H]1C[C@@H]2C=CC[C@@H]2N1C=O 238472116 573657984 /nfs/dbraw/zinc/65/79/84/573657984.db2.gz TUAPBVUPVQCZLN-VGMNWLOBSA-N 0 0 151.209 1.182 10 0 ADAERN O=C(CCO)C1CCSCC1 259545440 573658035 /nfs/dbraw/zinc/65/80/35/573658035.db2.gz CASCDTBRAFOHKL-UHFFFAOYSA-N 0 0 174.265 1.081 10 0 ADAERN Cc1ccc(CO)c2c1C(=O)OC2 238472673 573658041 /nfs/dbraw/zinc/65/80/41/573658041.db2.gz UKJSMSBUTRUKJQ-UHFFFAOYSA-N 0 0 178.187 1.158 10 0 ADAERN O=Cc1cc(C2CCSCC2)[nH]n1 257843349 573658936 /nfs/dbraw/zinc/65/89/36/573658936.db2.gz MXRYTMWKZHNSGV-UHFFFAOYSA-N 0 0 196.275 1.833 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@H](C2CC2)CC[NH2+]1 258509560 573658943 /nfs/dbraw/zinc/65/89/43/573658943.db2.gz KTTYUZKFOGZILF-PSASIEDQSA-N 0 0 183.251 1.239 10 0 ADAERN O=Cc1noc(C[C@@H]2CCSC2)n1 258083738 573658971 /nfs/dbraw/zinc/65/89/71/573658971.db2.gz RASJKEBNJHHDJI-LURJTMIESA-N 0 0 198.247 1.178 10 0 ADAERN C[C@@H]1C[C@@H]2CCCC(O)=C2C1=O 238472564 573662576 /nfs/dbraw/zinc/66/25/76/573662576.db2.gz AIBIWUIYYVNRFP-BKPPORCPSA-N 0 0 166.220 1.581 10 0 ADAERN CC(C)CCN(C)C(=O)C1(CO)CC1 258854391 573664885 /nfs/dbraw/zinc/66/48/85/573664885.db2.gz DQSIURYRFPWWPB-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN CC(C)=CCNc1cnn(CCO)c1 308664690 573659745 /nfs/dbraw/zinc/65/97/45/573659745.db2.gz RVWNIXVTTSLOFU-UHFFFAOYSA-N 0 0 195.266 1.254 10 0 ADAERN CC1(C)CCC[C@@]1(O)[C@@H]1CCOC1 86867277 573659750 /nfs/dbraw/zinc/65/97/50/573659750.db2.gz CQWVWNARCCSYIP-MWLCHTKSSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H](N)C(=O)OC1[C@@H](C)CC[C@@H]1C 238472857 573659751 /nfs/dbraw/zinc/65/97/51/573659751.db2.gz QQFYQNSYXLUGJP-FXQIFTODSA-N 0 0 185.267 1.311 10 0 ADAERN CCN1Cc2nn(C(C)C)c(N)c2C1 257842214 573659782 /nfs/dbraw/zinc/65/97/82/573659782.db2.gz MQGDZLFSTKGWTJ-UHFFFAOYSA-N 0 0 194.282 1.382 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCCC1(C)C 86866177 573659786 /nfs/dbraw/zinc/65/97/86/573659786.db2.gz BRFXDQHEJMPGLN-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN Cc1ccc2nn(CCCO)nc2c1 107839171 573659789 /nfs/dbraw/zinc/65/97/89/573659789.db2.gz VPPZVXQQBFKTOM-UHFFFAOYSA-N 0 0 191.234 1.122 10 0 ADAERN CC1(C)CC[C@H](n2ccnc2)[C@@H]1O 86866454 573659814 /nfs/dbraw/zinc/65/98/14/573659814.db2.gz MAZQDJIWVIUAOZ-IUCAKERBSA-N 0 0 180.251 1.605 10 0 ADAERN C[N@H+](Cc1ccc[nH]1)C(C)(C)C(=O)[O-] 258849912 573659825 /nfs/dbraw/zinc/65/98/25/573659825.db2.gz RVWFKQKVIHGKBW-UHFFFAOYSA-N 0 0 196.250 1.310 10 0 ADAERN C[C@H]1CCC[C@H](n2nnnc2N)CC1 235626541 573659827 /nfs/dbraw/zinc/65/98/27/573659827.db2.gz VOLWODBNMIVEKB-YUMQZZPRSA-N 0 0 195.270 1.397 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@@H](C2CC2)CC[NH2+]1 258509567 573659830 /nfs/dbraw/zinc/65/98/30/573659830.db2.gz KTTYUZKFOGZILF-WPRPVWTQSA-N 0 0 183.251 1.239 10 0 ADAERN CC(C)[C@H](CO)Nc1ccc[nH]1 258853249 573659844 /nfs/dbraw/zinc/65/98/44/573659844.db2.gz NUZGJYZFSIXIIJ-QMMMGPOBSA-N 0 0 168.240 1.444 10 0 ADAERN CC(=O)c1ncc2c(n1)CSCC2 257843339 573659847 /nfs/dbraw/zinc/65/98/47/573659847.db2.gz MXPAQEUJOINMLB-UHFFFAOYSA-N 0 0 194.259 1.469 10 0 ADAERN CCc1nnc2cc(C)c(C=O)cn12 107822468 573659862 /nfs/dbraw/zinc/65/98/62/573659862.db2.gz MRJFTWKQZMRPKO-UHFFFAOYSA-N 0 0 189.218 1.413 10 0 ADAERN CC1(C)CCC[C@]12CC(=O)NC2=O 86865517 573659872 /nfs/dbraw/zinc/65/98/72/573659872.db2.gz QAAZQUUIZJWVTC-SNVBAGLBSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@]1(Br)CCC[C@H]1O 238472293 573659893 /nfs/dbraw/zinc/65/98/93/573659893.db2.gz BBUXUOKBNZFAFV-PHDIDXHHSA-N 0 0 179.057 1.685 10 0 ADAERN Cc1cc(O)c(=O)[nH]c1C(F)F 238472044 573659948 /nfs/dbraw/zinc/65/99/48/573659948.db2.gz GSPKLQDXPUIMAC-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN COc1cc(C)c([C@@H]([NH3+])O)cc1C 259544221 573659992 /nfs/dbraw/zinc/65/99/92/573659992.db2.gz UFYBNNQXINPLGK-JTQLQIEISA-N 0 0 181.235 1.262 10 0 ADAERN COc1ccc(CC(N)=S)c(C)c1 107842096 573659996 /nfs/dbraw/zinc/65/99/96/573659996.db2.gz WGOANERIZYCDFW-UHFFFAOYSA-N 0 0 195.287 1.832 10 0 ADAERN CCCOc1cnccc1C=O 258084368 573659999 /nfs/dbraw/zinc/65/99/99/573659999.db2.gz VXPIOQKAZSCHPV-UHFFFAOYSA-N 0 0 165.192 1.683 10 0 ADAERN COc1ccc2c(c1)NC(=O)N[C@@H]2C 257842208 573660004 /nfs/dbraw/zinc/66/00/04/573660004.db2.gz MPWXGJKFZRGJTG-ZCFIWIBFSA-N 0 0 192.218 1.891 10 0 ADAERN CC(C)[C@@H](NCC1CC1)c1ncon1 308665048 573660018 /nfs/dbraw/zinc/66/00/18/573660018.db2.gz RYTNVAZOYJSRBZ-SECBINFHSA-N 0 0 195.266 1.766 10 0 ADAERN C[C@@](O)(c1ccncc1)c1ncc[nH]1 238471592 573660027 /nfs/dbraw/zinc/66/00/27/573660027.db2.gz UZFRODRBFQMFKO-SNVBAGLBSA-N 0 0 189.218 1.061 10 0 ADAERN COCC(=O)c1ccc(F)cn1 78885458 573660033 /nfs/dbraw/zinc/66/00/33/573660033.db2.gz LNBFICYAVGAZIV-UHFFFAOYSA-N 0 0 169.155 1.050 10 0 ADAERN CO[C@@H]1CCC(C)(C)[C@H]1O 86866541 573660069 /nfs/dbraw/zinc/66/00/69/573660069.db2.gz DUWRNXKUGVRLSH-RQJHMYQMSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1cc(N)c2c(c1)OCCC2=O 238472058 573660093 /nfs/dbraw/zinc/66/00/93/573660093.db2.gz ZAPXWEXCXMUXHH-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN Cc1ccc(SC(=O)CN)cc1 238471378 573660129 /nfs/dbraw/zinc/66/01/29/573660129.db2.gz VZKFPPBETOZLIM-UHFFFAOYSA-N 0 0 181.260 1.572 10 0 ADAERN CNOCC[C@H]1CCCCO1 258509305 573660159 /nfs/dbraw/zinc/66/01/59/573660159.db2.gz LFFOOTSZKBXUCN-MRVPVSSYSA-N 0 0 159.229 1.097 10 0 ADAERN Nc1cncc([C@H]2CCCO2)c1 259545716 573660164 /nfs/dbraw/zinc/66/01/64/573660164.db2.gz CCGXGMWTPJEYSD-SECBINFHSA-N 0 0 164.208 1.515 10 0 ADAERN CNc1n[nH]c2c1CCC2(C)C 86867373 573660174 /nfs/dbraw/zinc/66/01/74/573660174.db2.gz AEJCASQYXFPIAZ-UHFFFAOYSA-N 0 0 165.240 1.675 10 0 ADAERN CC(C)[N@H+](C)CC[C@H](C)C(=O)[O-] 258847961 573660176 /nfs/dbraw/zinc/66/01/76/573660176.db2.gz IQJYXKZZGKWMCG-QMMMGPOBSA-N 0 0 173.256 1.437 10 0 ADAERN COc1ccc(CNC[NH3+])c(C)c1C 258846447 573660190 /nfs/dbraw/zinc/66/01/90/573660190.db2.gz INZSUUYRNGQLBL-UHFFFAOYSA-N 0 0 194.278 1.318 10 0 ADAERN OCc1ccc2ccc3nncn3c2c1 257843640 573660690 /nfs/dbraw/zinc/66/06/90/573660690.db2.gz CKNGBFJKHACAFV-UHFFFAOYSA-N 0 0 199.213 1.375 10 0 ADAERN NC(=S)Cc1ccco1 107842070 573660265 /nfs/dbraw/zinc/66/02/65/573660265.db2.gz FYARKBNERCDHGN-UHFFFAOYSA-N 0 0 141.195 1.108 10 0 ADAERN CCOCn1ccnc1OC1CCC1 238297764 573660301 /nfs/dbraw/zinc/66/03/01/573660301.db2.gz RRRXFKKNGJTJOT-UHFFFAOYSA-N 0 0 196.250 1.808 10 0 ADAERN CC(=O)[C@@H](C)Cc1ccccn1 78885451 573660338 /nfs/dbraw/zinc/66/03/38/573660338.db2.gz XZXHENDNRYIZEM-QMMMGPOBSA-N 0 0 163.220 1.849 10 0 ADAERN C[C@@H]([NH3+])c1nc([C@H]2CCCS2)c[nH]1 257842500 573660339 /nfs/dbraw/zinc/66/03/39/573660339.db2.gz CBWLVDWPYLMNOA-HTRCEHHLSA-N 0 0 197.307 1.998 10 0 ADAERN C[C@H]([NH2+][C@@H](C)C1CCC1)c1nnn[n-]1 393587673 573660342 /nfs/dbraw/zinc/66/03/42/573660342.db2.gz XFVYVNNTACJINB-BQBZGAKWSA-N 0 0 195.270 1.039 10 0 ADAERN CC(C)[C@@]1(C)[NH2+][C@H](C(=O)[O-])CS1 83822808 573660366 /nfs/dbraw/zinc/66/03/66/573660366.db2.gz HFPHJQWMMRJEKJ-XPUUQOCRSA-N 0 0 189.280 1.148 10 0 ADAERN C[C@@H](O)Cc1ccccc1C1(O)CC1 259545415 573660367 /nfs/dbraw/zinc/66/03/67/573660367.db2.gz VMZSNQMHDYWLQK-SECBINFHSA-N 0 0 192.258 1.591 10 0 ADAERN C=C=C[C@H](O)CCCC 144611532 573660401 /nfs/dbraw/zinc/66/04/01/573660401.db2.gz BWNZFXIKXMGQHF-QMMMGPOBSA-N 0 0 126.199 1.879 10 0 ADAERN C[C@H]1[NH2+]CCCC[C@H]1CC(=O)[O-] 238472917 573660406 /nfs/dbraw/zinc/66/04/06/573660406.db2.gz ABFMKZHQDZDCNK-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCCC1(C)C 86866178 573660420 /nfs/dbraw/zinc/66/04/20/573660420.db2.gz BRFXDQHEJMPGLN-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1cccc(N)c1-c1nc(N)no1 83812140 573660424 /nfs/dbraw/zinc/66/04/24/573660424.db2.gz VZJZYIAUOJBMOK-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN Nc1cc2c(s1)CSCC2=O 75629061 573660448 /nfs/dbraw/zinc/66/04/48/573660448.db2.gz DCULKNGLBSSACH-UHFFFAOYSA-N 0 0 185.273 1.760 10 0 ADAERN COC[C@@]1(O)CCCC1(C)C 86867377 573660475 /nfs/dbraw/zinc/66/04/75/573660475.db2.gz KYSBIPSCLJETDS-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN Cc1ccc(SCC(N)=O)o1 238471749 573660488 /nfs/dbraw/zinc/66/04/88/573660488.db2.gz YLCAVQUJARGTQH-UHFFFAOYSA-N 0 0 171.221 1.165 10 0 ADAERN Cc1cnc(C)c(-n2ccnc2C)n1 83813160 573660502 /nfs/dbraw/zinc/66/05/02/573660502.db2.gz UTTQQOQMZZBJIS-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN CSCc1cn2cccc(N)c2n1 258509546 573660506 /nfs/dbraw/zinc/66/05/06/573660506.db2.gz KTLGRARZLBFVED-UHFFFAOYSA-N 0 0 193.275 1.780 10 0 ADAERN Cc1cnc(C)c(-n2ccc(C)n2)n1 83813163 573661887 /nfs/dbraw/zinc/66/18/87/573661887.db2.gz CCBLDTQJXHCWNW-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN CC1(C)CC[C@@H](n2ccnc2)[C@H]1O 86866457 573660545 /nfs/dbraw/zinc/66/05/45/573660545.db2.gz MAZQDJIWVIUAOZ-RKDXNWHRSA-N 0 0 180.251 1.605 10 0 ADAERN CC1(C)CCc2sc(=NN)[nH]c21 86866060 573660564 /nfs/dbraw/zinc/66/05/64/573660564.db2.gz HQFDYADLJHFKDT-UHFFFAOYSA-N 0 0 183.280 1.653 10 0 ADAERN CCOc1ccc(NC[NH3+])cc1C 258846494 573660575 /nfs/dbraw/zinc/66/05/75/573660575.db2.gz IPNIRFGZJXGTJB-UHFFFAOYSA-N 0 0 180.251 1.722 10 0 ADAERN COc1ccc([C@H](C)CO)cc1N 259545384 573660630 /nfs/dbraw/zinc/66/06/30/573660630.db2.gz VLVUOYRQYBIIHU-SSDOTTSWSA-N 0 0 181.235 1.373 10 0 ADAERN CCc1nc(CO)oc1C(F)(F)F 257842737 573660639 /nfs/dbraw/zinc/66/06/39/573660639.db2.gz MQZAIKUELKCYHN-UHFFFAOYSA-N 0 0 195.140 1.748 10 0 ADAERN Cc1ccc2c(c1)CCC[C@@]2(O)CO 257842199 573660653 /nfs/dbraw/zinc/66/06/53/573660653.db2.gz MPMOTURNCRUJKZ-GFCCVEGCSA-N 0 0 192.258 1.511 10 0 ADAERN Cc1ccccc1C(=O)C1(CO)CC1 259153694 573660685 /nfs/dbraw/zinc/66/06/85/573660685.db2.gz LCANHXPFQVEREV-UHFFFAOYSA-N 0 0 190.242 1.950 10 0 ADAERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](O)O1 238471806 573660714 /nfs/dbraw/zinc/66/07/14/573660714.db2.gz AFTIBRTXPVMDDP-MIMYLULJSA-N 0 0 178.231 1.897 10 0 ADAERN Cc1cc(CC(N)=S)ccc1F 107842073 573660751 /nfs/dbraw/zinc/66/07/51/573660751.db2.gz MPLNSRKIVMDPBS-UHFFFAOYSA-N 0 0 183.251 1.963 10 0 ADAERN Nc1noc([C@@H](N)C2CCCCC2)n1 83812124 573660756 /nfs/dbraw/zinc/66/07/56/573660756.db2.gz LBCGQIGJPZZYKA-ZETCQYMHSA-N 0 0 196.254 1.232 10 0 ADAERN COc1c(F)ccc(C)c1CCON 258084418 573660762 /nfs/dbraw/zinc/66/07/62/573660762.db2.gz JEROPUAMVDSFHJ-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN Cc1sc(CO)nc1[C@H]1CCCO1 257842548 573660764 /nfs/dbraw/zinc/66/07/64/573660764.db2.gz CDEZASDXOKISEQ-SSDOTTSWSA-N 0 0 199.275 1.795 10 0 ADAERN Cc1nc(CO)oc1CC(C)C 258509173 573660784 /nfs/dbraw/zinc/66/07/84/573660784.db2.gz LEGKVQYYNNODFW-UHFFFAOYSA-N 0 0 169.224 1.674 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCCC1(C)C 86866169 573661912 /nfs/dbraw/zinc/66/19/12/573661912.db2.gz ASVJCCLVDLZUMH-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H]([NH3+])c1nc([C@@H]2CCCS2)c[nH]1 257842506 573660788 /nfs/dbraw/zinc/66/07/88/573660788.db2.gz CBWLVDWPYLMNOA-XPUUQOCRSA-N 0 0 197.307 1.998 10 0 ADAERN CC1(C)CC[C@@H](n2cccn2)[C@H]1O 86866473 573660821 /nfs/dbraw/zinc/66/08/21/573660821.db2.gz ROZMFUWURQZWOW-RKDXNWHRSA-N 0 0 180.251 1.605 10 0 ADAERN Cc1cnn([C@H]2CCC(C)(C)[C@H]2O)c1 86866495 573660830 /nfs/dbraw/zinc/66/08/30/573660830.db2.gz DVQHACSGSPTGLN-UWVGGRQHSA-N 0 0 194.278 1.914 10 0 ADAERN CC1(C)CCc2c1nc1n2CCNC1 86867356 573660857 /nfs/dbraw/zinc/66/08/57/573660857.db2.gz NPZCLQQATCTQTL-UHFFFAOYSA-N 0 0 191.278 1.210 10 0 ADAERN C[C@@H]([NH2+][C@H](C)C1CCC1)c1nnn[n-]1 393587675 573660878 /nfs/dbraw/zinc/66/08/78/573660878.db2.gz XFVYVNNTACJINB-RNFRBKRXSA-N 0 0 195.270 1.039 10 0 ADAERN O=C1CCNN1Cc1cccc(F)c1 257843340 573660887 /nfs/dbraw/zinc/66/08/87/573660887.db2.gz MXRBUYBXRJPXKQ-UHFFFAOYSA-N 0 0 194.209 1.063 10 0 ADAERN C[C@H]1C[C@H](NC=O)c2ccccc2N1 238471972 573660889 /nfs/dbraw/zinc/66/08/89/573660889.db2.gz XROFDIKKABZNLR-KWQFWETISA-N 0 0 190.246 1.678 10 0 ADAERN NO[C@H](CO)c1cccc(Cl)c1 257842807 573660926 /nfs/dbraw/zinc/66/09/26/573660926.db2.gz MSSWRCRYPVZJOD-MRVPVSSYSA-N 0 0 187.626 1.264 10 0 ADAERN CC1(C)CC[C@H](OCC2CC2)[C@H]1O 86866637 573660980 /nfs/dbraw/zinc/66/09/80/573660980.db2.gz GSCMDEHHHIDJBJ-VHSXEESVSA-N 0 0 184.279 1.963 10 0 ADAERN O=CC(=O)Nc1ccccc1Cl 258845964 573661918 /nfs/dbraw/zinc/66/19/18/573661918.db2.gz XFPDYNKXMIMFET-UHFFFAOYSA-N 0 0 183.594 1.477 10 0 ADAERN OCc1n[nH]cc1-c1cccc(F)c1 257843059 573660994 /nfs/dbraw/zinc/66/09/94/573660994.db2.gz OTNMXIHIUBYJHA-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN COc1ccc([C@@H](C)CO)cc1N 259545385 573661001 /nfs/dbraw/zinc/66/10/01/573661001.db2.gz VLVUOYRQYBIIHU-ZETCQYMHSA-N 0 0 181.235 1.373 10 0 ADAERN Cc1cnn([C@@H]2CCC(C)(C)[C@H]2O)c1 86866494 573661028 /nfs/dbraw/zinc/66/10/28/573661028.db2.gz DVQHACSGSPTGLN-ZJUUUORDSA-N 0 0 194.278 1.914 10 0 ADAERN CC(=O)C(=O)Nc1ccc(F)c(F)c1 258848855 573661036 /nfs/dbraw/zinc/66/10/36/573661036.db2.gz DHPKQROCSQOAAF-UHFFFAOYSA-N 0 0 199.156 1.492 10 0 ADAERN Cc1ccccc1[C@]1(C)CC(=O)CN1 258851115 573661043 /nfs/dbraw/zinc/66/10/43/573661043.db2.gz KNNWPCCBDAIAAP-LBPRGKRZSA-N 0 0 189.258 1.773 10 0 ADAERN CC1(C)CC[C@H](n2cccn2)[C@H]1O 86866472 573661065 /nfs/dbraw/zinc/66/10/65/573661065.db2.gz ROZMFUWURQZWOW-DTWKUNHWSA-N 0 0 180.251 1.605 10 0 ADAERN COC(=O)[C@]1(C2CC2)CC1(C)C 259544035 573661072 /nfs/dbraw/zinc/66/10/72/573661072.db2.gz GQVCGQUINRANLZ-SNVBAGLBSA-N 0 0 168.236 1.986 10 0 ADAERN CC(C)C[C@@H]([NH3+])[C@@H](C)CC(=O)[O-] 259545565 573661093 /nfs/dbraw/zinc/66/10/93/573661093.db2.gz XFQFOYIYKSSALI-JGVFFNPUSA-N 0 0 173.256 1.471 10 0 ADAERN Cc1ncc(C2CCC2)c(=O)[nH]1 258509522 573661098 /nfs/dbraw/zinc/66/10/98/573661098.db2.gz KSOBTDRBXDEKBE-UHFFFAOYSA-N 0 0 164.208 1.758 10 0 ADAERN CC(C)[C@@](C[NH3+])(C(=O)[O-])C(C)(F)F 257843278 573661101 /nfs/dbraw/zinc/66/11/01/573661101.db2.gz MWCZEUGWTVXCIP-QMMMGPOBSA-N 0 0 195.209 1.327 10 0 ADAERN Cc1[nH]nc2cncc(C=O)c12 238472343 573661103 /nfs/dbraw/zinc/66/11/03/573661103.db2.gz MMSRWWWBAJCLQS-UHFFFAOYSA-N 0 0 161.164 1.079 10 0 ADAERN C[C@@H]1C=CN2C(=O)CCC[C@@H]2C1 238475410 573665062 /nfs/dbraw/zinc/66/50/62/573665062.db2.gz WTAJFMMRHAARKC-RKDXNWHRSA-N 0 0 165.236 1.921 10 0 ADAERN CC(C)Oc1cnsc1 258851560 573661108 /nfs/dbraw/zinc/66/11/08/573661108.db2.gz ZZZHUIPXDRJVDY-UHFFFAOYSA-N 0 0 143.211 1.930 10 0 ADAERN O=C([O-])[C@]1(C/C=C/Cl)CCC[NH2+]1 236437321 573661119 /nfs/dbraw/zinc/66/11/19/573661119.db2.gz AYDGLENGHSZJGN-GINQSWSWSA-N 0 0 189.642 1.336 10 0 ADAERN C[C@@H](O)[C@H]1O[C@@]1(C)[Si](C)(C)C 238471389 573661131 /nfs/dbraw/zinc/66/11/31/573661131.db2.gz IHXRUJPYJGXBLL-PRJMDXOYSA-N 0 0 174.316 1.402 10 0 ADAERN OCCn1nc2ccc(Cl)cc2n1 107839237 573661144 /nfs/dbraw/zinc/66/11/44/573661144.db2.gz IHEYGAKELUUFSC-UHFFFAOYSA-N 0 0 197.625 1.077 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@H](C)CC(=O)[O-] 259545568 573661147 /nfs/dbraw/zinc/66/11/47/573661147.db2.gz XFQFOYIYKSSALI-SFYZADRCSA-N 0 0 173.256 1.471 10 0 ADAERN Cc1n[nH]c2cc(N)sc12 238471903 573661169 /nfs/dbraw/zinc/66/11/69/573661169.db2.gz KWRARUYJOAXBLS-UHFFFAOYSA-N 0 0 153.210 1.515 10 0 ADAERN Cc1ccccc1NC(=O)[C@H](C)ON 107833882 573661195 /nfs/dbraw/zinc/66/11/95/573661195.db2.gz TYYNBKKONJMDOU-QMMMGPOBSA-N 0 0 194.234 1.212 10 0 ADAERN Nc1noc([C@H](N)C2CCCCC2)n1 83812125 573661222 /nfs/dbraw/zinc/66/12/22/573661222.db2.gz LBCGQIGJPZZYKA-SSDOTTSWSA-N 0 0 196.254 1.232 10 0 ADAERN Nc1cncc([C@@H]2CCCO2)c1 259545723 573661935 /nfs/dbraw/zinc/66/19/35/573661935.db2.gz CCGXGMWTPJEYSD-VIFPVBQESA-N 0 0 164.208 1.515 10 0 ADAERN CNc1cc2c(nn1)C(C)(C)CC2 86866735 573661275 /nfs/dbraw/zinc/66/12/75/573661275.db2.gz HHIFVKZFRJMDRJ-UHFFFAOYSA-N 0 0 177.251 1.742 10 0 ADAERN Cc1ncc(CO)c(C(F)F)c1O 238472931 573661286 /nfs/dbraw/zinc/66/12/86/573661286.db2.gz NFKBRRUAARPHCN-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN OCCn1ccc2cccc(F)c21 107838115 573661299 /nfs/dbraw/zinc/66/12/99/573661299.db2.gz HDDHNKRTRLKQLL-UHFFFAOYSA-N 0 0 179.194 1.773 10 0 ADAERN Cc1ccn([C@@H]2CCC(C)(C)[C@@H]2O)n1 86866520 573661310 /nfs/dbraw/zinc/66/13/10/573661310.db2.gz OZUKYZAGDXZJRG-NXEZZACHSA-N 0 0 194.278 1.914 10 0 ADAERN C[C@H]1CC=C[C@H](O)[C@@H](C)C1=O 238472170 573661336 /nfs/dbraw/zinc/66/13/36/573661336.db2.gz ZNXJOXMNSZEVNY-RNJXMRFFSA-N 0 0 154.209 1.149 10 0 ADAERN CCc1nc2nc(C)cc(C)n2c1N 107842052 573661380 /nfs/dbraw/zinc/66/13/80/573661380.db2.gz RSTMMRGGGCJNPJ-UHFFFAOYSA-N 0 0 190.250 1.491 10 0 ADAERN CCO[C@H]1CCC(C)(C)[C@@H]1O 86866545 573661396 /nfs/dbraw/zinc/66/13/96/573661396.db2.gz LQYURCAJRDMEPL-JGVFFNPUSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@H]1N=CC=C(C(F)(F)F)N1 238472180 573661407 /nfs/dbraw/zinc/66/14/07/573661407.db2.gz ZMETVKDYMQMLRR-BYPYZUCNSA-N 0 0 164.130 1.453 10 0 ADAERN O=c1[nH]ccc2ccc(CCO)cc12 258084505 573661946 /nfs/dbraw/zinc/66/19/46/573661946.db2.gz WBJCJMKFJMYZIQ-UHFFFAOYSA-N 0 0 189.214 1.475 10 0 ADAERN CC1(C)CCC[C@]1(O)c1cncnc1 86867076 573661432 /nfs/dbraw/zinc/66/14/32/573661432.db2.gz MKYQEMMGHHAHGK-NSHDSACASA-N 0 0 192.262 1.874 10 0 ADAERN Cc1nc(CNC(C)(C)C(C)C)no1 308667936 573661477 /nfs/dbraw/zinc/66/14/77/573661477.db2.gz UDJAUFSMRFUEHS-UHFFFAOYSA-N 0 0 197.282 1.902 10 0 ADAERN CCOC[C@@H](C)NC(=O)C(C)(C)F 393587691 573661479 /nfs/dbraw/zinc/66/14/79/573661479.db2.gz XHEQGDXAIGLSJP-SSDOTTSWSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@@H]([NH3+])c1nc([C@@H]2CCCS2)c[nH]1 257842504 573661503 /nfs/dbraw/zinc/66/15/03/573661503.db2.gz CBWLVDWPYLMNOA-SVRRBLITSA-N 0 0 197.307 1.998 10 0 ADAERN CCO[C@@H]1CCC(C)(C)[C@H]1O 86866546 573661511 /nfs/dbraw/zinc/66/15/11/573661511.db2.gz LQYURCAJRDMEPL-SFYZADRCSA-N 0 0 158.241 1.572 10 0 ADAERN CC(=O)CCC1(c2cc[nH]c2)COC1 259153765 573661526 /nfs/dbraw/zinc/66/15/26/573661526.db2.gz IKKIPHOAOOXSRY-UHFFFAOYSA-N 0 0 193.246 1.652 10 0 ADAERN CC1(C)CCc2[nH]c(CO)nc21 86867498 573661540 /nfs/dbraw/zinc/66/15/40/573661540.db2.gz RYLZQKVTXIQSCN-UHFFFAOYSA-N 0 0 166.224 1.126 10 0 ADAERN C[C@H]1C[C@H](O)CC2(CCCC2)O1 238472664 573661571 /nfs/dbraw/zinc/66/15/71/573661571.db2.gz MJRCFKJBDJSTQB-IUCAKERBSA-N 0 0 170.252 1.859 10 0 ADAERN C[C@@H](ON)C(=O)Nc1ccc(F)cc1 107833890 573661952 /nfs/dbraw/zinc/66/19/52/573661952.db2.gz KJOQGLMOVIQDRF-ZCFIWIBFSA-N 0 0 198.197 1.043 10 0 ADAERN CC1(C)CCC[C@]1(O)[C@H]1CCOC1 86867278 573661953 /nfs/dbraw/zinc/66/19/53/573661953.db2.gz CQWVWNARCCSYIP-ONGXEEELSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1cnn([C@H]2CCC(C)(C)[C@@H]2O)c1 86866493 573661610 /nfs/dbraw/zinc/66/16/10/573661610.db2.gz DVQHACSGSPTGLN-VHSXEESVSA-N 0 0 194.278 1.914 10 0 ADAERN Nc1cccn2c3c(nc12)CCC3 107828609 573661637 /nfs/dbraw/zinc/66/16/37/573661637.db2.gz FOUHWONHZQUQNX-UHFFFAOYSA-N 0 0 173.219 1.405 10 0 ADAERN Cc1ccc2c(c1)CCC[C@]2(O)CO 257842201 573661666 /nfs/dbraw/zinc/66/16/66/573661666.db2.gz MPMOTURNCRUJKZ-LBPRGKRZSA-N 0 0 192.258 1.511 10 0 ADAERN Cn1ccnc1[C@@]1(O)CCCC1(C)C 86866999 573661678 /nfs/dbraw/zinc/66/16/78/573661678.db2.gz HUMYFFCPDOYBLA-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CC1(C)CCc2cnc(N)nc21 86867477 573661687 /nfs/dbraw/zinc/66/16/87/573661687.db2.gz STOLKMAUHAEAJE-UHFFFAOYSA-N 0 0 163.224 1.283 10 0 ADAERN CC(=O)[C@H](O)[C@@H]1[C@@H](C)C=CC[C@@H]1C 238471938 573661706 /nfs/dbraw/zinc/66/17/06/573661706.db2.gz ZXVLKBIAQNMEGD-HLFFCZDVSA-N 0 0 182.263 1.785 10 0 ADAERN Cc1ccn([C@H]2CCC(C)(C)[C@@H]2O)n1 86866521 573661754 /nfs/dbraw/zinc/66/17/54/573661754.db2.gz OZUKYZAGDXZJRG-VHSXEESVSA-N 0 0 194.278 1.914 10 0 ADAERN CCOC[C@@]1(O)CCCC1(C)C 86867372 573661761 /nfs/dbraw/zinc/66/17/61/573661761.db2.gz ZHXKTJBAIUAQPO-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN Cc1cc2nnnn2c2c(N)cccc12 257843037 573661780 /nfs/dbraw/zinc/66/17/80/573661780.db2.gz CJJCZUYONOHTBI-UHFFFAOYSA-N 0 0 199.217 1.168 10 0 ADAERN Cn1cc([C@]2(O)CCCC2(C)C)cn1 86867275 573661783 /nfs/dbraw/zinc/66/17/83/573661783.db2.gz FZIXMZPAKXRVNG-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN O=C(NC1CCCC1)C1(CO)CCC1 258851168 573661788 /nfs/dbraw/zinc/66/17/88/573661788.db2.gz XQEWNFDWOZHBJM-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN C[C@H]1C2CCC(CC2)[C@]1([NH3+])C(=O)[O-] 238472841 573661790 /nfs/dbraw/zinc/66/17/90/573661790.db2.gz PDDPNRVYLNQHEC-UNWHSVHXSA-N 0 0 183.251 1.225 10 0 ADAERN C[C@H](CC[NH2+]CC(C)(C)C)C(=O)[O-] 258847991 573661800 /nfs/dbraw/zinc/66/18/00/573661800.db2.gz IRARZMJQWRZJAU-MRVPVSSYSA-N 0 0 187.283 1.733 10 0 ADAERN NC(=O)[C@H]1C[C@@H]1c1cccs1 224513689 573661811 /nfs/dbraw/zinc/66/18/11/573661811.db2.gz KPZXVHJMFYRZAP-WDSKDSINSA-N 0 0 167.233 1.337 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2CC[C@@H]2C1 259617091 573665076 /nfs/dbraw/zinc/66/50/76/573665076.db2.gz NEOYVZHTRWIBND-IWSPIJDZSA-N 0 0 168.236 1.986 10 0 ADAERN CC(=O)c1ccnn1[C@@H]1CCCOC1 257842841 573661829 /nfs/dbraw/zinc/66/18/29/573661829.db2.gz MUTCIGQQZFVIKU-SECBINFHSA-N 0 0 194.234 1.437 10 0 ADAERN CCc1c(N)sc2c1C(=O)CNC2 75628199 573661861 /nfs/dbraw/zinc/66/18/61/573661861.db2.gz XNCLXPGRVMSZDO-UHFFFAOYSA-N 0 0 196.275 1.179 10 0 ADAERN COC(=O)CC[N@H+](C)Cc1ccc[nH]1 258846902 573661871 /nfs/dbraw/zinc/66/18/71/573661871.db2.gz CVJIXRKUUWYEBF-UHFFFAOYSA-N 0 0 196.250 1.010 10 0 ADAERN Cc1cccc2nc3n(c12)C[C@@H](O)C3 259545684 573661877 /nfs/dbraw/zinc/66/18/77/573661877.db2.gz CBTMGCKJGCHRCI-QMMMGPOBSA-N 0 0 188.230 1.262 10 0 ADAERN CCC(CC)(CO)COC 144524820 573661890 /nfs/dbraw/zinc/66/18/90/573661890.db2.gz CRYNRGHXUIEMAD-UHFFFAOYSA-N 0 0 146.230 1.432 10 0 ADAERN C[C@@H](O)[C@H]1CC(=O)c2ccccc2C1 238472594 573661971 /nfs/dbraw/zinc/66/19/71/573661971.db2.gz KREMOVRYGWHTPU-PSASIEDQSA-N 0 0 190.242 1.813 10 0 ADAERN CONCc1ccc(CCCO)cc1 259544322 573661972 /nfs/dbraw/zinc/66/19/72/573661972.db2.gz SVZXUTHMSPYGCI-UHFFFAOYSA-N 0 0 195.262 1.263 10 0 ADAERN CNc1ccccc1-c1nc(N)no1 83812115 573661976 /nfs/dbraw/zinc/66/19/76/573661976.db2.gz AOBAFQSDCKBTKS-UHFFFAOYSA-N 0 0 190.206 1.361 10 0 ADAERN Cc1cc(N)c2c(c1)C(=O)CC2 238472096 573661978 /nfs/dbraw/zinc/66/19/78/573661978.db2.gz UOPIRWDQEVITPW-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN Cn1cc([C@@]2(O)CCCC2(C)C)cn1 86867274 573661980 /nfs/dbraw/zinc/66/19/80/573661980.db2.gz FZIXMZPAKXRVNG-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CC1(C)CC[C@H](n2cncn2)[C@H]1O 86866478 573662041 /nfs/dbraw/zinc/66/20/41/573662041.db2.gz RJYPWHDPHAQGLW-JGVFFNPUSA-N 0 0 181.239 1.000 10 0 ADAERN Cc1c(CCO)cnn1C1CCCC1 257843265 573662047 /nfs/dbraw/zinc/66/20/47/573662047.db2.gz MVZVBOPIBPRVIT-UHFFFAOYSA-N 0 0 194.278 1.841 10 0 ADAERN COc1ccc(NC2CC2)c(N)c1 107834463 573662048 /nfs/dbraw/zinc/66/20/48/573662048.db2.gz DBXWOSCSVHCIRC-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN OCC1(c2ccc[nH]2)CCC1 259153349 573662084 /nfs/dbraw/zinc/66/20/84/573662084.db2.gz IIFXDXQIPPIWJN-UHFFFAOYSA-N 0 0 151.209 1.429 10 0 ADAERN CC1(C)CC[C@@H](n2cncn2)[C@H]1O 86866479 573662093 /nfs/dbraw/zinc/66/20/93/573662093.db2.gz RJYPWHDPHAQGLW-HTQZYQBOSA-N 0 0 181.239 1.000 10 0 ADAERN C[C@@H]1N=Cc2ccccc2[C@@H]1O 107832935 573662110 /nfs/dbraw/zinc/66/21/10/573662110.db2.gz ARWFFCLGZIUTFF-OIBJUYFYSA-N 0 0 161.204 1.541 10 0 ADAERN CCOc1cc(C)[nH+]c(C)c1C(=O)[O-] 83822564 573662117 /nfs/dbraw/zinc/66/21/17/573662117.db2.gz WQWGMXDOKNKKCY-UHFFFAOYSA-N 0 0 195.218 1.795 10 0 ADAERN C[C@H]1C=CN2C(=O)CCC[C@H]2C1 238472524 573662126 /nfs/dbraw/zinc/66/21/26/573662126.db2.gz WTAJFMMRHAARKC-IUCAKERBSA-N 0 0 165.236 1.921 10 0 ADAERN C[C@@H](O)[C@H]1O[C@@H]1[Si](C)(C)C 238471336 573662137 /nfs/dbraw/zinc/66/21/37/573662137.db2.gz VDBDOFKVUVDHCD-FSDSQADBSA-N 0 0 160.289 1.012 10 0 ADAERN COc1nc(N)c2cc(C)sc2n1 107833050 573662141 /nfs/dbraw/zinc/66/21/41/573662141.db2.gz AVAYIZMNMXQGGA-UHFFFAOYSA-N 0 0 195.247 1.591 10 0 ADAERN C[C@@H](CC[N@H+](C)C(C)(C)C)C(=O)[O-] 258851635 573662181 /nfs/dbraw/zinc/66/21/81/573662181.db2.gz JASBXCDOZHZJRL-QMMMGPOBSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@@H]1CC(=O)C[C@]2(CCCO2)O1 238472507 573662194 /nfs/dbraw/zinc/66/21/94/573662194.db2.gz QOJQFMYVPWCJTJ-APPZFPTMSA-N 0 0 170.208 1.261 10 0 ADAERN Oc1ccc2c(c1)cc1n2C[C@H](O)C1 259545734 573662214 /nfs/dbraw/zinc/66/22/14/573662214.db2.gz CCIDEKXPALINLQ-SNVBAGLBSA-N 0 0 189.214 1.264 10 0 ADAERN COc1cc(C)c([C@H]([NH3+])O)cc1C 259544223 573662222 /nfs/dbraw/zinc/66/22/22/573662222.db2.gz UFYBNNQXINPLGK-SNVBAGLBSA-N 0 0 181.235 1.262 10 0 ADAERN CC(C)[C@](C[NH3+])(C(=O)[O-])C(C)(F)F 257843275 573662235 /nfs/dbraw/zinc/66/22/35/573662235.db2.gz MWCZEUGWTVXCIP-MRVPVSSYSA-N 0 0 195.209 1.327 10 0 ADAERN CCOC(=O)/C=C1/CCCCC[C@@H]1O 224517427 573662259 /nfs/dbraw/zinc/66/22/59/573662259.db2.gz LSTDBDJPIZDZAV-QROTZFDESA-N 0 0 198.262 1.801 10 0 ADAERN C[C@H]1C[C@H](Nc2ccccc2)C(=O)O1 238472568 573662262 /nfs/dbraw/zinc/66/22/62/573662262.db2.gz RFWIXKKAVJVFAA-WPRPVWTQSA-N 0 0 191.230 1.803 10 0 ADAERN CC1(C)CCC[C@]1([NH2+]C1CC1)C(=O)[O-] 86866195 573662267 /nfs/dbraw/zinc/66/22/67/573662267.db2.gz LRJBIFBUWBSSMX-NSHDSACASA-N 0 0 197.278 1.772 10 0 ADAERN C[C@@H]1CC(=O)C[C@@]2(CCCO2)O1 238472125 573662320 /nfs/dbraw/zinc/66/23/20/573662320.db2.gz QOJQFMYVPWCJTJ-VXNVDRBHSA-N 0 0 170.208 1.261 10 0 ADAERN CC1(C)CC[C@@H](OCC2CC2)[C@H]1O 86866638 573662333 /nfs/dbraw/zinc/66/23/33/573662333.db2.gz GSCMDEHHHIDJBJ-NXEZZACHSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1ccn([C@H]2CCC(C)(C)[C@H]2O)n1 86866523 573662561 /nfs/dbraw/zinc/66/25/61/573662561.db2.gz OZUKYZAGDXZJRG-UWVGGRQHSA-N 0 0 194.278 1.914 10 0 ADAERN C[C@H]1CN(C)[C@@H](c2ccncc2)C[NH2+]1 238471422 573662347 /nfs/dbraw/zinc/66/23/47/573662347.db2.gz QQGIPWCQVVCYLE-GXSJLCMTSA-N 0 0 191.278 1.046 10 0 ADAERN O=C1CCC([C@H](O)C(F)(F)F)CC1 144587006 573662353 /nfs/dbraw/zinc/66/23/53/573662353.db2.gz GHOBKNITYLMXDW-ZETCQYMHSA-N 0 0 196.168 1.669 10 0 ADAERN CC1(C)CCC[C@]1(O)c1cnccn1 86867280 573662354 /nfs/dbraw/zinc/66/23/54/573662354.db2.gz FZWJAIQXQBFCGH-NSHDSACASA-N 0 0 192.262 1.874 10 0 ADAERN O=CC1=NO[C@H](c2cccc(O)c2)C1 257843309 573662364 /nfs/dbraw/zinc/66/23/64/573662364.db2.gz MWRPIAGQNPVPPC-JTQLQIEISA-N 0 0 191.186 1.409 10 0 ADAERN Nc1noc(-c2ccc(F)c(N)c2)n1 83812121 573662387 /nfs/dbraw/zinc/66/23/87/573662387.db2.gz OQUDLSKXMDAVOV-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN Cc1nccn1[C@H]1CCC(C)(C)[C@H]1O 86866461 573662404 /nfs/dbraw/zinc/66/24/04/573662404.db2.gz NCVQWZQTJBLOTP-UWVGGRQHSA-N 0 0 194.278 1.914 10 0 ADAERN O=C1C=C2CCCN2C1 258084516 573662427 /nfs/dbraw/zinc/66/24/27/573662427.db2.gz WCNQQUPPOFZMJI-UHFFFAOYSA-N 0 0 123.155 1.140 10 0 ADAERN CC1(C)CCc2sc(CO)nc21 86867313 573662469 /nfs/dbraw/zinc/66/24/69/573662469.db2.gz LWNJWFPOBAKSKJ-UHFFFAOYSA-N 0 0 183.276 1.859 10 0 ADAERN CCO[C@@H]1CCC(C)(C)[C@@H]1O 86866544 573662476 /nfs/dbraw/zinc/66/24/76/573662476.db2.gz LQYURCAJRDMEPL-HTQZYQBOSA-N 0 0 158.241 1.572 10 0 ADAERN CCCOCc1nnc([C@H](C)NC)o1 233233866 573662485 /nfs/dbraw/zinc/66/24/85/573662485.db2.gz IUYHIPGXMVAVBS-ZETCQYMHSA-N 0 0 199.254 1.277 10 0 ADAERN C[C@H]1CN(C)[C@@H](c2cccs2)C[NH2+]1 238471401 573662494 /nfs/dbraw/zinc/66/24/94/573662494.db2.gz SEGSJQXGVUPHAW-DTWKUNHWSA-N 0 0 196.319 1.713 10 0 ADAERN CCCO[C@H]1CCC(C)(C)[C@@H]1O 86866640 573662499 /nfs/dbraw/zinc/66/24/99/573662499.db2.gz IDQMANIKACQMFN-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ccc(NC(=O)[C@H](C)ON)cc1 107833875 573662506 /nfs/dbraw/zinc/66/25/06/573662506.db2.gz ZCKIWPNNRCTWSD-QMMMGPOBSA-N 0 0 194.234 1.212 10 0 ADAERN Cc1ccc(NC(=O)[C@@H](C)ON)cc1 107833874 573662512 /nfs/dbraw/zinc/66/25/12/573662512.db2.gz ZCKIWPNNRCTWSD-MRVPVSSYSA-N 0 0 194.234 1.212 10 0 ADAERN CC(C)=C1CC[C@H](C)[C@H]1C(N)=O 238472655 573662522 /nfs/dbraw/zinc/66/25/22/573662522.db2.gz CHMHEOLKXWLOAD-IONNQARKSA-N 0 0 167.252 1.854 10 0 ADAERN Cc1ccc(CO)c2c1CCC2=O 238472520 573662531 /nfs/dbraw/zinc/66/25/31/573662531.db2.gz XUGVWROVVHCTJU-UHFFFAOYSA-N 0 0 176.215 1.616 10 0 ADAERN C[C@H]1N=Cc2ccccc2[C@@H]1O 107832932 573662550 /nfs/dbraw/zinc/66/25/50/573662550.db2.gz ARWFFCLGZIUTFF-GMSGAONNSA-N 0 0 161.204 1.541 10 0 ADAERN CONCc1ccc(C)c(F)c1OC 258084323 573664951 /nfs/dbraw/zinc/66/49/51/573664951.db2.gz JCHWERUKMKRYCD-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN CCc1cc(N)cc(N)c1CC 144578256 573665089 /nfs/dbraw/zinc/66/50/89/573665089.db2.gz KDHWWOLNIDMJOQ-UHFFFAOYSA-N 0 0 164.252 1.976 10 0 ADAERN C[N@H+](CC(=O)[O-])[C@H]1CCCC1(C)C 86869684 573664987 /nfs/dbraw/zinc/66/49/87/573664987.db2.gz COJNIJLLNFDLMG-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H]1C[C@]2(C)C(=O)NC(=N)[C@]2(C)C1 238476230 573665013 /nfs/dbraw/zinc/66/50/13/573665013.db2.gz CZJWRYVIOJLJSD-WHFVKQHSSA-N 0 0 180.251 1.536 10 0 ADAERN CCOc1cc(N)nc(SC)n1 83824479 573665018 /nfs/dbraw/zinc/66/50/18/573665018.db2.gz PSMWQXBSBFFLDU-UHFFFAOYSA-N 0 0 185.252 1.179 10 0 ADAERN C[C@@H](O)C(=O)N(C)c1ccccc1F 258863453 573665029 /nfs/dbraw/zinc/66/50/29/573665029.db2.gz QZCRGDGZEMJMDZ-SSDOTTSWSA-N 0 0 197.209 1.169 10 0 ADAERN COCc1cccc(Cl)n1 78885441 573665032 /nfs/dbraw/zinc/66/50/32/573665032.db2.gz SKQIWCVZBJEWHL-UHFFFAOYSA-N 0 0 157.600 1.881 10 0 ADAERN CCNc1cc(SCC)nc(N)n1 83823856 573666314 /nfs/dbraw/zinc/66/63/14/573666314.db2.gz WVYNBWOPRGKSMP-UHFFFAOYSA-N 0 0 198.295 1.603 10 0 ADAERN CNc1snc(C)c1C(C)=O 83823900 573664375 /nfs/dbraw/zinc/66/43/75/573664375.db2.gz PSQQVKKTKATYLJ-UHFFFAOYSA-N 0 0 170.237 1.696 10 0 ADAERN NOCc1cc2[nH]ccc2cc1F 258084443 573664394 /nfs/dbraw/zinc/66/43/94/573664394.db2.gz VZNKXDTYBBMEKC-UHFFFAOYSA-N 0 0 180.182 1.697 10 0 ADAERN C[C@@H](O)[C@](C)(O)C1=CCCC1 238474651 573664419 /nfs/dbraw/zinc/66/44/19/573664419.db2.gz XIQYUIRIXSCEJS-APPZFPTMSA-N 0 0 156.225 1.229 10 0 ADAERN c1c[nH]c(-c2cn3cccnc3n2)c1 107875489 573664434 /nfs/dbraw/zinc/66/44/34/573664434.db2.gz DBYVEPOCTLMZCH-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]1C[NH2+]CCC1CCC1 258864912 573664438 /nfs/dbraw/zinc/66/44/38/573664438.db2.gz KKKLBLBMRMGFEC-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN CC1=C(C)c2cc[nH]c(=O)c2C1 149751132 573666316 /nfs/dbraw/zinc/66/63/16/573666316.db2.gz YPDJSNSBLHLAJA-UHFFFAOYSA-N 0 0 161.204 1.724 10 0 ADAERN CC[C@@H](CO)C(=O)Nc1ccc(C)o1 258859413 573664451 /nfs/dbraw/zinc/66/44/51/573664451.db2.gz VIIUSLOIJVBMAX-QMMMGPOBSA-N 0 0 197.234 1.545 10 0 ADAERN COc1cc(C)c(O)cc1NC(C)=O 144556767 573664454 /nfs/dbraw/zinc/66/44/54/573664454.db2.gz CIAKCJRXWMATNR-UHFFFAOYSA-N 0 0 195.218 1.668 10 0 ADAERN Oc1cccc(-n2nncc2Cl)c1 257844340 573664460 /nfs/dbraw/zinc/66/44/60/573664460.db2.gz CPDKYNNJCAHCMF-UHFFFAOYSA-N 0 0 195.609 1.626 10 0 ADAERN CCN1C(=O)Cc2c(Cl)ccnc21 258084467 573664462 /nfs/dbraw/zinc/66/44/62/573664462.db2.gz WAGMFBIFPJGRJV-UHFFFAOYSA-N 0 0 196.637 1.644 10 0 ADAERN CC1(C)C(NC(N)=S)C1(C)C 83824203 573666955 /nfs/dbraw/zinc/66/69/55/573666955.db2.gz FGZGYIQTJWGEEZ-UHFFFAOYSA-N 0 0 172.297 1.254 10 0 ADAERN COC(=O)[C@]1(O)CCCC1(C)C 86868154 573664479 /nfs/dbraw/zinc/66/44/79/573664479.db2.gz FBFKNPGPJVSEBH-SECBINFHSA-N 0 0 172.224 1.101 10 0 ADAERN COc1ccccc1[C@@H](O)N(C)C 259547910 573664484 /nfs/dbraw/zinc/66/44/84/573664484.db2.gz OEUCHQLCMHELHV-SNVBAGLBSA-N 0 0 181.235 1.248 10 0 ADAERN COC(=O)[C@H](O)[C@@H]1CCCC1(C)C 86869553 573664489 /nfs/dbraw/zinc/66/44/89/573664489.db2.gz ZVRPAGIGGSQRKZ-JGVFFNPUSA-N 0 0 186.251 1.347 10 0 ADAERN COc1ccc(SC=O)cc1OC 259154181 573664490 /nfs/dbraw/zinc/66/44/90/573664490.db2.gz FXHWXXIYRUVIPZ-UHFFFAOYSA-N 0 0 198.243 1.986 10 0 ADAERN O=c1[nH][nH]cc1-c1ccc(F)cc1 258859388 573664507 /nfs/dbraw/zinc/66/45/07/573664507.db2.gz RCIQHIQZPOMVSA-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN CC(=O)[C@H](C)Cc1ccccn1 78885453 573664523 /nfs/dbraw/zinc/66/45/23/573664523.db2.gz XZXHENDNRYIZEM-MRVPVSSYSA-N 0 0 163.220 1.849 10 0 ADAERN CC1(C)CCC[C@@]12COC(=O)N2 86869958 573665049 /nfs/dbraw/zinc/66/50/49/573665049.db2.gz DJGPMNAHZNBFJM-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN COC(=O)[C@@H]1CCSC[C@@H]1F 259546239 573664564 /nfs/dbraw/zinc/66/45/64/573664564.db2.gz BPSSEMSBBSMMBF-RITPCOANSA-N 0 0 178.228 1.251 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1ccnc(C)n1 124840245 573664588 /nfs/dbraw/zinc/66/45/88/573664588.db2.gz SAZPCJBYPPICNM-GMSGAONNSA-N 0 0 180.251 1.865 10 0 ADAERN CC(C)(C)CNC(=O)C1(CO)CCC1 258855936 573664953 /nfs/dbraw/zinc/66/49/53/573664953.db2.gz VACVRSQRCRZRPD-UHFFFAOYSA-N 0 0 199.294 1.311 10 0 ADAERN CCCc1ccnc([C@@H](CC)CO)n1 259153896 573664637 /nfs/dbraw/zinc/66/46/37/573664637.db2.gz RYEFGDZWFPUIRL-VIFPVBQESA-N 0 0 194.278 1.915 10 0 ADAERN CON(C=O)CC(C)(C)C 144604565 573664668 /nfs/dbraw/zinc/66/46/68/573664668.db2.gz IRBYLMPDPVZQLA-UHFFFAOYSA-N 0 0 145.202 1.052 10 0 ADAERN COc1cc(C)c(C)cc1NCO 258857723 573664674 /nfs/dbraw/zinc/66/46/74/573664674.db2.gz FFVCIZXHRDBHNF-UHFFFAOYSA-N 0 0 181.235 1.674 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2CC[C@H]2C1 259617088 573664679 /nfs/dbraw/zinc/66/46/79/573664679.db2.gz NEOYVZHTRWIBND-HRDYMLBCSA-N 0 0 168.236 1.986 10 0 ADAERN Cc1n[nH]cc1Cc1ccc(N)o1 238476219 573664687 /nfs/dbraw/zinc/66/46/87/573664687.db2.gz TVCVCFRHHJRMIW-UHFFFAOYSA-N 0 0 177.207 1.484 10 0 ADAERN C[C@@H](O)[C@](C)(O)Cc1ccccc1 238474740 573664711 /nfs/dbraw/zinc/66/47/11/573664711.db2.gz KJWPGGKSBQXCHO-MWLCHTKSSA-N 0 0 180.247 1.361 10 0 ADAERN CCCCC(=O)CCC(=O)OC 43368616 573664956 /nfs/dbraw/zinc/66/49/56/573664956.db2.gz PONRPCIHEGPNCW-UHFFFAOYSA-N 0 0 172.224 1.699 10 0 ADAERN O[C@H](Cc1ccoc1)C[C@@H]1CCCO1 130712840 573664738 /nfs/dbraw/zinc/66/47/38/573664738.db2.gz RMVMAUNPZWJTCZ-MNOVXSKESA-N 0 0 196.246 1.752 10 0 ADAERN CCc1c(N)oc2c1C(=O)CC2 75658032 573664743 /nfs/dbraw/zinc/66/47/43/573664743.db2.gz YEVZJGRTCCQQFU-UHFFFAOYSA-N 0 0 165.192 1.553 10 0 ADAERN Cc1ccccc1[C@H](F)[C@H]([NH3+])C(=O)[O-] 257846588 573664761 /nfs/dbraw/zinc/66/47/61/573664761.db2.gz NTQKVRRXLNPKLB-IUCAKERBSA-N 0 0 197.209 1.418 10 0 ADAERN CC(=O)[C@@]1(C)OCC[C@H](C)O1 238474625 573664777 /nfs/dbraw/zinc/66/47/77/573664777.db2.gz GQEIFAVRWQISGP-XPUUQOCRSA-N 0 0 158.197 1.117 10 0 ADAERN CCOC(=O)C(F)(F)c1ccc[nH]1 238298974 573664805 /nfs/dbraw/zinc/66/48/05/573664805.db2.gz FZOIEOAIRJDCEZ-UHFFFAOYSA-N 0 0 189.161 1.670 10 0 ADAERN CCc1[nH]cc(N)c1SC 96919156 573664963 /nfs/dbraw/zinc/66/49/63/573664963.db2.gz IBXYRYZMJYLPQI-UHFFFAOYSA-N 0 0 156.254 1.881 10 0 ADAERN COC(=O)CCC(=O)C(C)(C)C 43368564 573664819 /nfs/dbraw/zinc/66/48/19/573664819.db2.gz RBYITJRPJYFQRC-UHFFFAOYSA-N 0 0 172.224 1.555 10 0 ADAERN OCNc1ccc2c(c1)CCCO2 258855659 573664831 /nfs/dbraw/zinc/66/48/31/573664831.db2.gz DYJGBKUZDXAHDS-UHFFFAOYSA-N 0 0 179.219 1.373 10 0 ADAERN C[NH+](C)[C@]1(CC(=O)[O-])CCCC1(C)C 86869631 573664851 /nfs/dbraw/zinc/66/48/51/573664851.db2.gz DNSAKKYOSHZYHW-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CCc1nc(N)c2c(n1)CCC2(C)C 86870376 573666807 /nfs/dbraw/zinc/66/68/07/573666807.db2.gz ITSNCHCZNAHFAV-UHFFFAOYSA-N 0 0 191.278 1.845 10 0 ADAERN CO[C@@H](CO)CCc1cccc(F)c1 257844652 573665903 /nfs/dbraw/zinc/66/59/03/573665903.db2.gz LESHYBKSKBJZSP-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN Cn1[nH]c(=O)cc1-c1cccc(O)c1 257844449 573665917 /nfs/dbraw/zinc/66/59/17/573665917.db2.gz NFPLQJNKSOSIOA-UHFFFAOYSA-N 0 0 190.202 1.498 10 0 ADAERN C[C@]12C=C[C@@]3(CCCC(=O)[C@@H]3C1)O2 238474714 573667726 /nfs/dbraw/zinc/66/77/26/573667726.db2.gz GRPFWQMTXJQAMN-INTQDDNPSA-N 0 0 178.231 1.843 10 0 ADAERN CC(C)[C@H](CO)C(=O)N(C)C1CCC1 258865359 573667727 /nfs/dbraw/zinc/66/77/27/573667727.db2.gz VYOQUXLWSJQPKT-JTQLQIEISA-N 0 0 199.294 1.262 10 0 ADAERN CC1(C)CCC[C@]12C[NH2+]C[C@H]2C(=O)[O-] 86869216 573667730 /nfs/dbraw/zinc/66/77/30/573667730.db2.gz SMEFQPZLLRWXJL-GZMMTYOYSA-N 0 0 197.278 1.487 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1ccc(C2CC2)cc1 83823359 573666963 /nfs/dbraw/zinc/66/69/63/573666963.db2.gz JTRMTBUOPIEFJI-JTQLQIEISA-N 0 0 191.230 1.648 10 0 ADAERN CC(=O)O[C@H](C)c1ccccc1N 144561478 573666454 /nfs/dbraw/zinc/66/64/54/573666454.db2.gz NAKWNJCGRVKBPY-SSDOTTSWSA-N 0 0 179.219 1.893 10 0 ADAERN Cc1ccccc1C[C@](C)(O)CO 238474322 573666459 /nfs/dbraw/zinc/66/64/59/573666459.db2.gz UVMHIJBVGMPVOD-NSHDSACASA-N 0 0 180.247 1.281 10 0 ADAERN COC(=O)[C@@]1(O)CCCC1(C)C 86868153 573665814 /nfs/dbraw/zinc/66/58/14/573665814.db2.gz FBFKNPGPJVSEBH-VIFPVBQESA-N 0 0 172.224 1.101 10 0 ADAERN CC(=O)c1cc([C@@H]2CCOC2)[nH]n1 259154196 573665815 /nfs/dbraw/zinc/66/58/15/573665815.db2.gz IAWWENWZJKOCPA-SSDOTTSWSA-N 0 0 180.207 1.116 10 0 ADAERN Cc1ccc(N)c(-n2cccn2)c1 83824521 573666464 /nfs/dbraw/zinc/66/64/64/573666464.db2.gz LTTSLXJEXUKOHO-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN CNc1cc(SC)ncn1 83823858 573665834 /nfs/dbraw/zinc/66/58/34/573665834.db2.gz JRJWQRVOKXUXNY-UHFFFAOYSA-N 0 0 155.226 1.240 10 0 ADAERN CO[C@H](CO)CCc1cccc(F)c1 257844653 573665838 /nfs/dbraw/zinc/66/58/38/573665838.db2.gz LESHYBKSKBJZSP-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN COC[C@@H]1COc2cc(N)ccc2O1 144576035 573665850 /nfs/dbraw/zinc/66/58/50/573665850.db2.gz VXZKGIOODFUZEG-MRVPVSSYSA-N 0 0 195.218 1.055 10 0 ADAERN C[C@H]1CC(=O)C[C@@]2(CCCO2)O1 238475309 573666470 /nfs/dbraw/zinc/66/64/70/573666470.db2.gz QOJQFMYVPWCJTJ-IONNQARKSA-N 0 0 170.208 1.261 10 0 ADAERN CC1(C)CCc2ncnc(N)c21 86870373 573665862 /nfs/dbraw/zinc/66/58/62/573665862.db2.gz UGDIMNNNBQWOHC-UHFFFAOYSA-N 0 0 163.224 1.283 10 0 ADAERN c1ccc(NC[C@@H]2CCOCO2)cc1 83824050 573665867 /nfs/dbraw/zinc/66/58/67/573665867.db2.gz KVEWDDDTQSHVAO-NSHDSACASA-N 0 0 193.246 1.862 10 0 ADAERN COC[C@@H]1CCOc2cccc(O)c21 257843943 573665870 /nfs/dbraw/zinc/66/58/70/573665870.db2.gz NCGCBTNUBJXFCV-QMMMGPOBSA-N 0 0 194.230 1.905 10 0 ADAERN C[C@]12Nc3ccccc3N1O2 238475395 573665932 /nfs/dbraw/zinc/66/59/32/573665932.db2.gz IGIWPCHEEYZTLL-PEHGTWAWSA-N 0 0 148.165 1.537 10 0 ADAERN CC1(C)CCC[C@@]12CNC(=O)O2 86869964 573665938 /nfs/dbraw/zinc/66/59/38/573665938.db2.gz BVGGQFWBBPYKPD-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H](C(=O)[O-])[N@H+](C)[C@@H]1CCCC1(C)C 86869748 573665951 /nfs/dbraw/zinc/66/59/51/573665951.db2.gz KNVRWSFPWFLHEH-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN OCCn1nncc1C1CCCCC1 257844379 573665953 /nfs/dbraw/zinc/66/59/53/573665953.db2.gz CRQUSZNESODCNS-UHFFFAOYSA-N 0 0 195.266 1.318 10 0 ADAERN CC(=O)C1(c2ccco2)COC1 258509831 573665976 /nfs/dbraw/zinc/66/59/76/573665976.db2.gz FVMQSPUZPNRKLB-UHFFFAOYSA-N 0 0 166.176 1.137 10 0 ADAERN C[C@@H]1CC(=O)[C@H]2C[C@@H]3C=C[C@@]2(C1)O3 238475324 573666002 /nfs/dbraw/zinc/66/60/02/573666002.db2.gz ICINOGWFOGXMBT-LOKLDPHHSA-N 0 0 178.231 1.699 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]2CCCCC[C@@H]2[NH2+]1 144547155 573666009 /nfs/dbraw/zinc/66/60/09/573666009.db2.gz IXEADCPBHZIBFX-CIUDSAMLSA-N 0 0 183.251 1.382 10 0 ADAERN CNc1nc(Cl)nnc1Cl 83823988 573666010 /nfs/dbraw/zinc/66/60/10/573666010.db2.gz MMVHKJMCLOITLE-UHFFFAOYSA-N 0 0 179.010 1.220 10 0 ADAERN C=CC[N@H+]1CC[C@H](CC)C[C@H]1C(=O)[O-] 159041309 573666017 /nfs/dbraw/zinc/66/60/17/573666017.db2.gz DTUJBXCFCNVWFF-UWVGGRQHSA-N 0 0 197.278 1.748 10 0 ADAERN Cc1c(N)oc2c1C(=O)CC2 75658091 573666018 /nfs/dbraw/zinc/66/60/18/573666018.db2.gz LFRJDWTXJYBOAW-UHFFFAOYSA-N 0 0 151.165 1.299 10 0 ADAERN C[C@H]1[NH2+]CCNc2ccccc21 238474450 573666049 /nfs/dbraw/zinc/66/60/49/573666049.db2.gz KTCDKINEFALKLD-MRVPVSSYSA-N 0 0 162.236 1.763 10 0 ADAERN O=C1CCc2ccc(CO)cc2C1 144621553 573666066 /nfs/dbraw/zinc/66/60/66/573666066.db2.gz CKLCGSMDFQNBJU-UHFFFAOYSA-N 0 0 176.215 1.237 10 0 ADAERN C[C@]1(CCCO)CCCCC1=O 238475192 573666070 /nfs/dbraw/zinc/66/60/70/573666070.db2.gz GDVSYSGTQILMMH-SNVBAGLBSA-N 0 0 170.252 1.908 10 0 ADAERN Nc1cc(CCO)cc(F)c1F 259547796 573666079 /nfs/dbraw/zinc/66/60/79/573666079.db2.gz VPIHDKVCSSNUIM-UHFFFAOYSA-N 0 0 173.162 1.082 10 0 ADAERN C[C@]12C[C@@H]3CCO[C@@]31CCC2=O 238474245 573666111 /nfs/dbraw/zinc/66/61/11/573666111.db2.gz BQABWTQNYDERKZ-SFGNSQDASA-N 0 0 166.220 1.535 10 0 ADAERN O=Cc1cnn([C@@H]2CCCSC2)c1 257844502 573666115 /nfs/dbraw/zinc/66/61/15/573666115.db2.gz NHWMWCHRVVCWDU-SECBINFHSA-N 0 0 196.275 1.764 10 0 ADAERN CC1(C)CCC[C@@H]1[C@@H]1CC(=O)NC1=O 86869605 573666120 /nfs/dbraw/zinc/66/61/20/573666120.db2.gz CGUOJJOYEXEMMU-JGVFFNPUSA-N 0 0 195.262 1.475 10 0 ADAERN CC1(C)CCO[C@H](O)CC1 144509487 573666304 /nfs/dbraw/zinc/66/63/04/573666304.db2.gz MTGPWFHZAVJWRO-ZETCQYMHSA-N 0 0 144.214 1.532 10 0 ADAERN CCOc1nc[nH]c(=S)c1N 83823881 573666125 /nfs/dbraw/zinc/66/61/25/573666125.db2.gz QPJWEFMGIDNHRQ-UHFFFAOYSA-N 0 0 171.225 1.120 10 0 ADAERN O[C@@H](Cc1ccoc1)C[C@H]1CCCO1 130713037 573666135 /nfs/dbraw/zinc/66/61/35/573666135.db2.gz RMVMAUNPZWJTCZ-WDEREUQCSA-N 0 0 196.246 1.752 10 0 ADAERN O=C([O-])CCC[NH2+]CCc1cc[nH]c1 258855393 573666143 /nfs/dbraw/zinc/66/61/43/573666143.db2.gz JLFWWPKRLAONFK-UHFFFAOYSA-N 0 0 196.250 1.012 10 0 ADAERN COC(=O)[C@@H]1CCSC[C@H]1F 259546220 573666162 /nfs/dbraw/zinc/66/61/62/573666162.db2.gz BPSSEMSBBSMMBF-PHDIDXHHSA-N 0 0 178.228 1.251 10 0 ADAERN O[C@H]1Cc2ccccc2[C@@H]1F 224532466 573666170 /nfs/dbraw/zinc/66/61/70/573666170.db2.gz OOIUGIJAUUXMTA-IUCAKERBSA-N 0 0 152.168 1.614 10 0 ADAERN COc1ccc(CCO)c(F)c1O 258075634 573666179 /nfs/dbraw/zinc/66/61/79/573666179.db2.gz MOFMBEZTOUDVOR-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN Nc1cc(N)c2c(c1)CCCO2 144514482 573666982 /nfs/dbraw/zinc/66/69/82/573666982.db2.gz MNOAGCRIFIVJDU-UHFFFAOYSA-N 0 0 164.208 1.176 10 0 ADAERN Nc1ccccc1[C@@]1(O)CCCOC1 257844418 573666191 /nfs/dbraw/zinc/66/61/91/573666191.db2.gz NEEVDBOYGKYEFH-LLVKDONJSA-N 0 0 193.246 1.267 10 0 ADAERN NC(=O)n1ccc(-c2ccccc2)n1 144542776 573666209 /nfs/dbraw/zinc/66/62/09/573666209.db2.gz HOFNTJPPWZOQSL-UHFFFAOYSA-N 0 0 187.202 1.477 10 0 ADAERN C[C@@H]1C[C@H]2C(=O)CC[C@@H]2O1 238475016 573666256 /nfs/dbraw/zinc/66/62/56/573666256.db2.gz WGDLNPOBBGKPBE-CHKWXVPMSA-N 0 0 140.182 1.143 10 0 ADAERN C[C@]12C[C@H]3CCO[C@@]31CCC2=O 238474902 573666263 /nfs/dbraw/zinc/66/62/63/573666263.db2.gz BQABWTQNYDERKZ-QNSHHTMESA-N 0 0 166.220 1.535 10 0 ADAERN C[C@H]([NH3+])C12CCC(C(=O)[O-])(CC1)CC2 238474843 573666272 /nfs/dbraw/zinc/66/62/72/573666272.db2.gz ZKYGEAJMCKWYOG-PUSIOWJLSA-N 0 0 197.278 1.759 10 0 ADAERN Cc1c(Cl)cccc1NC(=O)C=O 258865142 573666276 /nfs/dbraw/zinc/66/62/76/573666276.db2.gz ZAQTXZVIDACHRE-UHFFFAOYSA-N 0 0 197.621 1.786 10 0 ADAERN Cc1coc(NCC[C@H](O)C(C)C)n1 308667707 573666280 /nfs/dbraw/zinc/66/62/80/573666280.db2.gz TZFMDROIZUUHGI-VIFPVBQESA-N 0 0 198.266 1.802 10 0 ADAERN O[C@@H](Cc1ccco1)C[C@@H]1CCCO1 130713469 573666331 /nfs/dbraw/zinc/66/63/31/573666331.db2.gz JHVYMRHSGOFQAR-ONGXEEELSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@]1([C@@H]2CCCSC2)CCC(=O)N1 257844654 573666334 /nfs/dbraw/zinc/66/63/34/573666334.db2.gz LEUHWIGNGDJYAX-PSASIEDQSA-N 0 0 199.319 1.798 10 0 ADAERN COC(=O)[C@](C)(CON)CC(C)C 257844439 573666339 /nfs/dbraw/zinc/66/63/39/573666339.db2.gz NFEDJHWBNKLFQP-VIFPVBQESA-N 0 0 189.255 1.102 10 0 ADAERN CC1(C)CCC[C@]1([NH3+])CC(=O)[O-] 86869673 573666367 /nfs/dbraw/zinc/66/63/67/573666367.db2.gz FJKYXAUFKNZUGW-VIFPVBQESA-N 0 0 171.240 1.369 10 0 ADAERN CCn1c(=O)ccc2cccc(O)c21 144594191 573666384 /nfs/dbraw/zinc/66/63/84/573666384.db2.gz WWDOAINNONYEIW-UHFFFAOYSA-N 0 0 189.214 1.727 10 0 ADAERN CC[C@H](CO)C(=O)Nc1ccc(C)o1 258859408 573666489 /nfs/dbraw/zinc/66/64/89/573666489.db2.gz VIIUSLOIJVBMAX-MRVPVSSYSA-N 0 0 197.234 1.545 10 0 ADAERN O[C@H](Cc1ccco1)C[C@H]1CCCO1 130714130 573666493 /nfs/dbraw/zinc/66/64/93/573666493.db2.gz JHVYMRHSGOFQAR-MWLCHTKSSA-N 0 0 196.246 1.752 10 0 ADAERN CC1(C)CCc2noc(N)c21 86870347 573666505 /nfs/dbraw/zinc/66/65/05/573666505.db2.gz FTMVJLMNLJBUMK-UHFFFAOYSA-N 0 0 152.197 1.481 10 0 ADAERN C[C@@H]1C[C@H]2C(=O)CC[C@@H]2C1=O 238475000 573666508 /nfs/dbraw/zinc/66/65/08/573666508.db2.gz OTYMDVYCCGTPEO-DSYKOEDSSA-N 0 0 152.193 1.191 10 0 ADAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCC1(C)C 86869686 573666523 /nfs/dbraw/zinc/66/65/23/573666523.db2.gz COJNIJLLNFDLMG-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccc(NC=O)c(C)n1 83823545 573666535 /nfs/dbraw/zinc/66/65/35/573666535.db2.gz NAFOGYWSWYMONR-UHFFFAOYSA-N 0 0 150.181 1.267 10 0 ADAERN O=C1CN[C@H](c2ccc(F)cc2)C1 258862949 573666537 /nfs/dbraw/zinc/66/65/37/573666537.db2.gz LIVGDWVZIXDKJL-JTQLQIEISA-N 0 0 179.194 1.429 10 0 ADAERN CC1(C)CCC[C@]12COC(N)=N2 86869957 573666539 /nfs/dbraw/zinc/66/65/39/573666539.db2.gz SPNUJVDHQHMZOQ-VIFPVBQESA-N 0 0 168.240 1.280 10 0 ADAERN O[C@H](c1cccc(F)c1)c1ncc[nH]1 83824167 573666546 /nfs/dbraw/zinc/66/65/46/573666546.db2.gz XSSPHNZEUSPWMU-SECBINFHSA-N 0 0 192.193 1.631 10 0 ADAERN Cc1ccc(C2([NH3+])CC2)c(C(=O)[O-])c1 238474921 573666561 /nfs/dbraw/zinc/66/65/61/573666561.db2.gz SHIQOMLSCZGXFT-UHFFFAOYSA-N 0 0 191.230 1.641 10 0 ADAERN CC(=O)[C@]1(C)C(=O)CC[C@@H]1C 238476421 573666567 /nfs/dbraw/zinc/66/65/67/573666567.db2.gz BDEOLTRMMPSUDX-IMTBSYHQSA-N 0 0 154.209 1.581 10 0 ADAERN CC(C)OC(=O)[C@@H](C)NC[C@@H]1C[C@@H]1C 308662485 573666570 /nfs/dbraw/zinc/66/65/70/573666570.db2.gz QUJPVXYGIFZJDM-AEJSXWLSSA-N 0 0 199.294 1.572 10 0 ADAERN CC(C)(C)C[NH2+]C[C@H]1C[C@@H]1C(=O)[O-] 258857449 573666579 /nfs/dbraw/zinc/66/65/79/573666579.db2.gz JOCQASHIDDBYPK-SFYZADRCSA-N 0 0 185.267 1.343 10 0 ADAERN COc1ccccc1[C@H](O)N(C)C 259547906 573666587 /nfs/dbraw/zinc/66/65/87/573666587.db2.gz OEUCHQLCMHELHV-JTQLQIEISA-N 0 0 181.235 1.248 10 0 ADAERN O[C@@H](Cc1ccoc1)C[C@@H]1CCCO1 130712625 573666590 /nfs/dbraw/zinc/66/65/90/573666590.db2.gz RMVMAUNPZWJTCZ-QWRGUYRKSA-N 0 0 196.246 1.752 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1C[NH2+]CCC1CCC1 258864913 573666625 /nfs/dbraw/zinc/66/66/25/573666625.db2.gz KKKLBLBMRMGFEC-ZJUUUORDSA-N 0 0 197.278 1.487 10 0 ADAERN COC(=O)[C@@H](O)[C@H]1CCCC1(C)C 86869547 573666640 /nfs/dbraw/zinc/66/66/40/573666640.db2.gz ZVRPAGIGGSQRKZ-SFYZADRCSA-N 0 0 186.251 1.347 10 0 ADAERN COc1cccc2cnc([C@@H](C)O)n12 257844409 573666644 /nfs/dbraw/zinc/66/66/44/573666644.db2.gz NDCDOZGZAPHPSP-SSDOTTSWSA-N 0 0 192.218 1.396 10 0 ADAERN Nc1ccccc1[C@]1(O)CCCOC1 257844419 573667019 /nfs/dbraw/zinc/66/70/19/573667019.db2.gz NEEVDBOYGKYEFH-NSHDSACASA-N 0 0 193.246 1.267 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1ccc(C2CC2)cc1 83823360 573666683 /nfs/dbraw/zinc/66/66/83/573666683.db2.gz JTRMTBUOPIEFJI-SNVBAGLBSA-N 0 0 191.230 1.648 10 0 ADAERN CC[C@@H](C)[C@H](O)c1ccnc(C)n1 124839759 573666685 /nfs/dbraw/zinc/66/66/85/573666685.db2.gz SAZPCJBYPPICNM-XCBNKYQSSA-N 0 0 180.251 1.865 10 0 ADAERN CCCOCc1nncn1C1CC1 233233989 573666695 /nfs/dbraw/zinc/66/66/95/573666695.db2.gz BLJMIRIYARDQNP-UHFFFAOYSA-N 0 0 181.239 1.540 10 0 ADAERN NOCc1c(F)ccc2c1CCO2 258075622 573666720 /nfs/dbraw/zinc/66/67/20/573666720.db2.gz MNSNTQWLGKQGBN-UHFFFAOYSA-N 0 0 183.182 1.151 10 0 ADAERN Cc1nc(N)c2c(n1)CCC2(C)C 86870375 573666737 /nfs/dbraw/zinc/66/67/37/573666737.db2.gz FDRPJOYKRFSFDT-UHFFFAOYSA-N 0 0 177.251 1.591 10 0 ADAERN CC1(C)CCC[C@]12C[NH2+]C[C@@H]2C(=O)[O-] 86869212 573666762 /nfs/dbraw/zinc/66/67/62/573666762.db2.gz SMEFQPZLLRWXJL-LDYMZIIASA-N 0 0 197.278 1.487 10 0 ADAERN CCNc1nc(C)cc(SC)n1 83823553 573666776 /nfs/dbraw/zinc/66/67/76/573666776.db2.gz WRFKRUPTSBIICP-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN OCc1cc(C[C@H]2CCCS2)on1 259154297 573666785 /nfs/dbraw/zinc/66/67/85/573666785.db2.gz IBFJWKLVKHUSSZ-SECBINFHSA-N 0 0 199.275 1.605 10 0 ADAERN CC(C)(C)C[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 258857448 573666786 /nfs/dbraw/zinc/66/67/86/573666786.db2.gz JOCQASHIDDBYPK-JGVFFNPUSA-N 0 0 185.267 1.343 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2CC[C@@H]2C1 259617086 573666792 /nfs/dbraw/zinc/66/67/92/573666792.db2.gz NEOYVZHTRWIBND-DJLDLDEBSA-N 0 0 168.236 1.986 10 0 ADAERN CCc1ccncc1CO 144593841 573666793 /nfs/dbraw/zinc/66/67/93/573666793.db2.gz OABBHIRSYCDRRC-UHFFFAOYSA-N 0 0 137.182 1.136 10 0 ADAERN CC(C)C[C@@H]([NH3+])C1(C(=O)[O-])CC1 259546150 573666801 /nfs/dbraw/zinc/66/68/01/573666801.db2.gz CFDLXCAKNNBCTQ-SSDOTTSWSA-N 0 0 171.240 1.225 10 0 ADAERN Nc1nnc(-c2ccco2)cc1Cl 259545289 573666815 /nfs/dbraw/zinc/66/68/15/573666815.db2.gz VJSAOEDLSBRPPF-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN C[C@]1([C@H]2CCCSC2)CCC(=O)N1 257844656 573666823 /nfs/dbraw/zinc/66/68/23/573666823.db2.gz LEUHWIGNGDJYAX-WCBMZHEXSA-N 0 0 199.319 1.798 10 0 ADAERN COc1cc(CO)c(C)cc1O 257843785 573666830 /nfs/dbraw/zinc/66/68/30/573666830.db2.gz PEPQKMRLFUYFBE-UHFFFAOYSA-N 0 0 168.192 1.202 10 0 ADAERN C[C@H](O)[C@@H]1CCC=CO1 238474314 573666842 /nfs/dbraw/zinc/66/68/42/573666842.db2.gz XUALZUHGZNAITD-BQBZGAKWSA-N 0 0 128.171 1.060 10 0 ADAERN CCCC(C)(C)C[NH2+]CCC(=O)[O-] 258863129 573666843 /nfs/dbraw/zinc/66/68/43/573666843.db2.gz KCZMELIWBVPTAB-UHFFFAOYSA-N 0 0 187.283 1.877 10 0 ADAERN O=Cc1sncc1Cl 144542196 573666855 /nfs/dbraw/zinc/66/68/55/573666855.db2.gz FRZHFQYYAMZLCF-UHFFFAOYSA-N 0 0 147.586 1.609 10 0 ADAERN O=Cc1sncc1C(F)(F)F 144540248 573666862 /nfs/dbraw/zinc/66/68/62/573666862.db2.gz HRMRACKJMKQKHK-UHFFFAOYSA-N 0 0 181.138 1.974 10 0 ADAERN COCNc1ccc(OC)c(F)c1 259154302 573666864 /nfs/dbraw/zinc/66/68/64/573666864.db2.gz SOMTXNGUMHZTJF-UHFFFAOYSA-N 0 0 185.198 1.850 10 0 ADAERN CC(C)(C)C[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 258857446 573666877 /nfs/dbraw/zinc/66/68/77/573666877.db2.gz JOCQASHIDDBYPK-HTQZYQBOSA-N 0 0 185.267 1.343 10 0 ADAERN CN1CCC[C@@H]1c1coc(N)n1 259546136 573666879 /nfs/dbraw/zinc/66/68/79/573666879.db2.gz CESAQTMMGARKIQ-SSDOTTSWSA-N 0 0 167.212 1.024 10 0 ADAERN CCCc1ccnc([C@H](CC)CO)n1 259153895 573666905 /nfs/dbraw/zinc/66/69/05/573666905.db2.gz RYEFGDZWFPUIRL-SECBINFHSA-N 0 0 194.278 1.915 10 0 ADAERN COC(=O)[C@H](F)Cc1ccccc1O 257843963 573666946 /nfs/dbraw/zinc/66/69/46/573666946.db2.gz NCVRFOCXIFZOJE-MRVPVSSYSA-N 0 0 198.193 1.446 10 0 ADAERN CC1(C)CCCC12CC(=O)NC(=O)C2 86869136 573666948 /nfs/dbraw/zinc/66/69/48/573666948.db2.gz MYUQHITZFPPIOT-UHFFFAOYSA-N 0 0 195.262 1.620 10 0 ADAERN CC(=O)[C@H](O)c1ccc2ncoc2c1 259153170 573667750 /nfs/dbraw/zinc/66/77/50/573667750.db2.gz NEFGISSZCOGPSK-JTQLQIEISA-N 0 0 191.186 1.450 10 0 ADAERN C[C@H]1CC=CC[C@@H]1[C@@H](C)O 238467089 573669523 /nfs/dbraw/zinc/66/95/23/573669523.db2.gz NAPIUDVUYFHAPO-YIZRAAEISA-N 0 0 140.226 1.970 10 0 ADAERN CCCC(=O)[C@@H]1CCC(=O)C1 258859572 573669525 /nfs/dbraw/zinc/66/95/25/573669525.db2.gz RDTAMFIZRPTQAN-SSDOTTSWSA-N 0 0 154.209 1.725 10 0 ADAERN C[C@@H]1C[C@]1(CO)[C@@H](O)c1ccccc1 238466885 573669831 /nfs/dbraw/zinc/66/98/31/573669831.db2.gz KNGARACOIMREIY-ADEWGFFLSA-N 0 0 192.258 1.739 10 0 ADAERN CC(=O)CNCc1cc(F)ccc1F 258871764 573670987 /nfs/dbraw/zinc/67/09/87/573670987.db2.gz GRGRXAWQOJEJKD-UHFFFAOYSA-N 0 0 199.200 1.643 10 0 ADAERN CC1(N2CC(=O)NC2=O)CCCCC1 83825772 573670000 /nfs/dbraw/zinc/67/00/00/573670000.db2.gz PQJKYNUSWPSZQA-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN CC(C)(O)c1ccccc1CCON 259547710 573670003 /nfs/dbraw/zinc/67/00/03/573670003.db2.gz VOKKCLRWWZSHKP-UHFFFAOYSA-N 0 0 195.262 1.347 10 0 ADAERN C[C@H](O)[C@@H]1C[C@@H]1Oc1ccccc1 238475827 573670006 /nfs/dbraw/zinc/67/00/06/573670006.db2.gz YNAQGSNKHCDSQN-LSJOCFKGSA-N 0 0 178.231 1.835 10 0 ADAERN COCC[C@H](O)Cc1ccoc1 130725415 573672401 /nfs/dbraw/zinc/67/24/01/573672401.db2.gz AFLKNMHEGBDCQC-VIFPVBQESA-N 0 0 170.208 1.220 10 0 ADAERN Cc1ccc(CC(F)(F)C(N)=O)cc1 257846883 573670975 /nfs/dbraw/zinc/67/09/75/573670975.db2.gz DCLLSZZGUFTBAS-UHFFFAOYSA-N 0 0 199.200 1.658 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@H]1C(C)C 259546912 573670988 /nfs/dbraw/zinc/67/09/88/573670988.db2.gz GWWPLEJYUWWQCZ-XLPZGREQSA-N 0 0 156.225 1.698 10 0 ADAERN O=Cc1n[nH]c(C2CCSCC2)n1 258077179 573672416 /nfs/dbraw/zinc/67/24/16/573672416.db2.gz LZKBQJQAFQCEKK-UHFFFAOYSA-N 0 0 197.263 1.228 10 0 ADAERN CCCC[C@@H](O)[C@@H](C)CC(=O)OC 43370385 573672900 /nfs/dbraw/zinc/67/29/00/573672900.db2.gz RLCYNEJKQUWMPH-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN CC(C)n1cccc1[C@@H]([NH3+])CC(=O)[O-] 308412001 573669359 /nfs/dbraw/zinc/66/93/59/573669359.db2.gz JDBGYRLSOICRHC-QMMMGPOBSA-N 0 0 196.250 1.544 10 0 ADAERN C[C@@H](CCCCO)Nc1ccn(C)n1 308661106 573669375 /nfs/dbraw/zinc/66/93/75/573669375.db2.gz PYLPNQUFGUZAAJ-VIFPVBQESA-N 0 0 197.282 1.383 10 0 ADAERN C[C@H]1CC2(CC[C@H]1CO)OCCO2 238467267 573669377 /nfs/dbraw/zinc/66/93/77/573669377.db2.gz ZRJYQIWIJHUYDE-IUCAKERBSA-N 0 0 186.251 1.158 10 0 ADAERN O[C@H]1O/C1=C\c1ccccc1 144581146 573669407 /nfs/dbraw/zinc/66/94/07/573669407.db2.gz XSHZCEMVXRQUFX-XZLDQRQTSA-N 0 0 148.161 1.376 10 0 ADAERN COC(=O)c1c(O)cc(C(C)C)n1C 259545142 573669411 /nfs/dbraw/zinc/66/94/11/573669411.db2.gz BEVCACXIDHVRKD-UHFFFAOYSA-N 0 0 197.234 1.641 10 0 ADAERN CC(=O)C(=O)NCC(C)(C)C1CCC1 258862544 573669412 /nfs/dbraw/zinc/66/94/12/573669412.db2.gz FGRNPLWQYGLTRY-UHFFFAOYSA-N 0 0 197.278 1.518 10 0 ADAERN CNc1cc(O)c(C)cc1OC 144554092 573669425 /nfs/dbraw/zinc/66/94/25/573669425.db2.gz GPQWOOFVSPEUKG-UHFFFAOYSA-N 0 0 167.208 1.751 10 0 ADAERN CC1=N[C@](C)([C@@H](C)O)S[C@@H]1C 238475964 573669434 /nfs/dbraw/zinc/66/94/34/573669434.db2.gz GYPNVICASLNDMR-PRJMDXOYSA-N 0 0 173.281 1.680 10 0 ADAERN CC1(C)CCC[C@H]1NC(N)=S 86875958 573669452 /nfs/dbraw/zinc/66/94/52/573669452.db2.gz WBRZXFPIFMNTFS-ZCFIWIBFSA-N 0 0 172.297 1.398 10 0 ADAERN CN(CO)Cc1ccc(F)c(F)c1 258855469 573669456 /nfs/dbraw/zinc/66/94/56/573669456.db2.gz DUYYMZRWGPZHLP-UHFFFAOYSA-N 0 0 187.189 1.346 10 0 ADAERN CO[C@@H](C)[C@H](C)NC(=O)C(C)(C)F 308410883 573669473 /nfs/dbraw/zinc/66/94/73/573669473.db2.gz LOVQTEXQQVGLRV-BQBZGAKWSA-N 0 0 191.246 1.274 10 0 ADAERN Cc1[nH]c(=O)n(-c2ccccn2)c1C 238475424 573669476 /nfs/dbraw/zinc/66/94/76/573669476.db2.gz PHQCDUPBNUWBKR-UHFFFAOYSA-N 0 0 189.218 1.177 10 0 ADAERN CN(CCCO)c1cccs1 258861561 573669477 /nfs/dbraw/zinc/66/94/77/573669477.db2.gz AEMHRJYAYJCXCJ-UHFFFAOYSA-N 0 0 171.265 1.567 10 0 ADAERN NOC[C@H](F)C1CCCC1 259154529 573669508 /nfs/dbraw/zinc/66/95/08/573669508.db2.gz HBILQQVEGCSHSQ-ZETCQYMHSA-N 0 0 147.193 1.405 10 0 ADAERN NC1=N[C@@H](C2CCCCC2)CO1 83824984 573672606 /nfs/dbraw/zinc/67/26/06/573672606.db2.gz FZHHXSYKURONRW-MRVPVSSYSA-N 0 0 168.240 1.280 10 0 ADAERN Cc1ncc(Cl)nc1C=O 238476314 573669585 /nfs/dbraw/zinc/66/95/85/573669585.db2.gz MTSCRHWBBXIKPE-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN C[C@H]1CC2(CC[C@@H]1CO)OCCO2 238467246 573669594 /nfs/dbraw/zinc/66/95/94/573669594.db2.gz ZRJYQIWIJHUYDE-DTWKUNHWSA-N 0 0 186.251 1.158 10 0 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YTVSMCOMGOMPFK-VIFPVBQESA-N 0 0 195.262 1.367 10 0 ADAERN CCC[C@H]1SC=CNC1=O 144678838 573670789 /nfs/dbraw/zinc/67/07/89/573670789.db2.gz KTWHWOFGVTVQIJ-ZCFIWIBFSA-N 0 0 157.238 1.489 10 0 ADAERN Cc1cc(O)c(C(F)F)[nH]c1=O 238467009 573670799 /nfs/dbraw/zinc/67/07/99/573670799.db2.gz JAEDHMGFWCXLGK-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN C[C@@H]1NC(=O)N[C@@H]1C1CCCCC1 238475755 573670824 /nfs/dbraw/zinc/67/08/24/573670824.db2.gz WQIHOHWHYYBYDU-CBAPKCEASA-N 0 0 182.267 1.637 10 0 ADAERN C[C@]1(c2cccc(F)c2)C[NH2+]CCN1 259154777 573670835 /nfs/dbraw/zinc/67/08/35/573670835.db2.gz UYSRTRMDZXJWAI-LLVKDONJSA-N 0 0 194.253 1.234 10 0 ADAERN CC1(C)CCC[C@H]1N1C[C@H](O)CC1=O 86877990 573670847 /nfs/dbraw/zinc/67/08/47/573670847.db2.gz GKOBXIYBLJJVQV-RKDXNWHRSA-N 0 0 197.278 1.158 10 0 ADAERN COCCCC(=O)Cc1ccco1 130624330 573670854 /nfs/dbraw/zinc/67/08/54/573670854.db2.gz IZEMNNFVZIPCTJ-UHFFFAOYSA-N 0 0 182.219 1.818 10 0 ADAERN CCCCCC(=O)N[C@@H](C)[C@@H](C)O 308411737 573670890 /nfs/dbraw/zinc/67/08/90/573670890.db2.gz LWPRTMFLUUBQAB-DTWKUNHWSA-N 0 0 187.283 1.452 10 0 ADAERN CC[C@H](C)NC(=O)[C@H](CO)C(C)C 258873149 573670897 /nfs/dbraw/zinc/67/08/97/573670897.db2.gz ZUOHWHXFJPFQBW-DTWKUNHWSA-N 0 0 187.283 1.166 10 0 ADAERN C[C@H]1CCC(=O)[C@@H]1CCCO 238476041 573670936 /nfs/dbraw/zinc/67/09/36/573670936.db2.gz CMYXANHEULMTEX-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN COC(=O)[C@](N)(C1CCC1)[C@@H](C)F 257846678 573670937 /nfs/dbraw/zinc/67/09/37/573670937.db2.gz NVPKLJJUANWXGR-HZGVNTEJSA-N 0 0 189.230 1.015 10 0 ADAERN Cc1ccnc2nc(Cl)cnc12 238475994 573670952 /nfs/dbraw/zinc/67/09/52/573670952.db2.gz LEYAQGWGHCHXEM-UHFFFAOYSA-N 0 0 179.610 1.987 10 0 ADAERN C[C@@H]1C[C@@H]2NCc3ccccc3N2C1 238467298 573670997 /nfs/dbraw/zinc/67/09/97/573670997.db2.gz GMSKESXCKBITIX-BXKDBHETSA-N 0 0 188.274 1.962 10 0 ADAERN NC(=S)c1csc(Cl)n1 144677241 573671001 /nfs/dbraw/zinc/67/10/01/573671001.db2.gz MDAXTTFHDHDFOL-UHFFFAOYSA-N 0 0 178.669 1.431 10 0 ADAERN C[C@@]1(c2cccc(F)c2)C[NH2+]CCN1 259154781 573671009 /nfs/dbraw/zinc/67/10/09/573671009.db2.gz UYSRTRMDZXJWAI-NSHDSACASA-N 0 0 194.253 1.234 10 0 ADAERN C[C@@H](O)[C@]1(C)CCC(C)(C)C1=O 238475586 573671011 /nfs/dbraw/zinc/67/10/11/573671011.db2.gz PLBBZQUNIJAPSI-XCBNKYQSSA-N 0 0 170.252 1.763 10 0 ADAERN CC(=O)C(=O)N(C)c1ccc(F)cc1 258867588 573671013 /nfs/dbraw/zinc/67/10/13/573671013.db2.gz FRITVDKEOZTQHX-UHFFFAOYSA-N 0 0 195.193 1.378 10 0 ADAERN C[C@H]1CCC(=O)[C@@H](CCC(N)=O)C1 238475628 573671019 /nfs/dbraw/zinc/67/10/19/573671019.db2.gz KRFSHAOXBVQIHD-YUMQZZPRSA-N 0 0 183.251 1.257 10 0 ADAERN CC(=O)C1=C(O)CC[C@@H]1C 238475888 573671027 /nfs/dbraw/zinc/67/10/27/573671027.db2.gz AOLATHQQWTUGQK-XNCJUZBTSA-N 0 0 140.182 1.191 10 0 ADAERN C/C=C/COc1coc(CO)cc1=O 86880253 573671031 /nfs/dbraw/zinc/67/10/31/573671031.db2.gz XEFIRNWBDVUEJW-NSCUHMNNSA-N 0 0 196.202 1.087 10 0 ADAERN C[C@H]1CCc2c(CON)cccc2O1 258075615 573671059 /nfs/dbraw/zinc/67/10/59/573671059.db2.gz MNMDVGXEYQHJMK-QMMMGPOBSA-N 0 0 193.246 1.790 10 0 ADAERN CC(C)[C@H](CO)CNc1ccc[nH]1 258868425 573671084 /nfs/dbraw/zinc/67/10/84/573671084.db2.gz BBIGBEVQYHLTLV-VIFPVBQESA-N 0 0 182.267 1.691 10 0 ADAERN CC(C)(ON)[C@@H]1CCCCO1 259546761 573671111 /nfs/dbraw/zinc/67/11/11/573671111.db2.gz VWOBBHYAACKXOO-ZETCQYMHSA-N 0 0 159.229 1.224 10 0 ADAERN Nc1cc(Cc2ccc(O)cc2)on1 258413666 573671114 /nfs/dbraw/zinc/67/11/14/573671114.db2.gz DJALUUZRCIAMBO-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN O[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@H]2C1 144687311 573671120 /nfs/dbraw/zinc/67/11/20/573671120.db2.gz LOUZMBJHZXNYDS-RGOKHQFPSA-N 0 0 170.252 1.308 10 0 ADAERN O=C(/C=C\c1ccco1)OC1CC1 308411257 573671136 /nfs/dbraw/zinc/67/11/36/573671136.db2.gz ONFSSSIUCINYOU-WAYWQWQTSA-N 0 0 178.187 1.998 10 0 ADAERN CC1(C2CCC2)COC1 259155084 573671158 /nfs/dbraw/zinc/67/11/58/573671158.db2.gz TVBPLFLUMRYTEI-UHFFFAOYSA-N 0 0 126.199 1.823 10 0 ADAERN CCCOC(=O)CC[C@H](O)C1CC1 43372551 573671166 /nfs/dbraw/zinc/67/11/66/573671166.db2.gz XZNWDDHLWGVVOG-VIFPVBQESA-N 0 0 186.251 1.491 10 0 ADAERN CCc1cc(=O)[nH]c(CCC(C)C)n1 43374131 573671174 /nfs/dbraw/zinc/67/11/74/573671174.db2.gz LFVUYHVZAUZRDB-UHFFFAOYSA-N 0 0 194.278 1.921 10 0 ADAERN Nc1ccc(-c2cncnc2)c(F)c1 83826733 573671175 /nfs/dbraw/zinc/67/11/75/573671175.db2.gz GCAGLDSWCWEHFZ-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CSc1nc2c(c(=O)[nH]1)C[C@@H](C)C2 144653317 573671178 /nfs/dbraw/zinc/67/11/78/573671178.db2.gz HFOBAAFKUKAAEX-RXMQYKEDSA-N 0 0 196.275 1.227 10 0 ADAERN Nc1nc(C(F)(F)F)ccc1C[NH3+] 86880585 573671183 /nfs/dbraw/zinc/67/11/83/573671183.db2.gz UVXVBLXPNKXEHF-UHFFFAOYSA-N 0 0 191.156 1.141 10 0 ADAERN Nc1cnncc1-c1ccc(O)cc1 258077289 573673703 /nfs/dbraw/zinc/67/37/03/573673703.db2.gz WIIYYGWVNKKTLP-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Cc1ccc(N)c(SCCO)c1 83825218 573671194 /nfs/dbraw/zinc/67/11/94/573671194.db2.gz UEZWDHLCYYVNGS-UHFFFAOYSA-N 0 0 183.276 1.662 10 0 ADAERN C[C@@H](O)[C@]1(C)CC1(Cl)Cl 238475516 573671199 /nfs/dbraw/zinc/67/11/99/573671199.db2.gz OOACCSVGPIZOCB-UHNVWZDZSA-N 0 0 169.051 1.951 10 0 ADAERN C[C@]1(c2ccccc2F)CC(=O)CN1 258868644 573671205 /nfs/dbraw/zinc/67/12/05/573671205.db2.gz MQBXYBKEJHZJNM-LLVKDONJSA-N 0 0 193.221 1.603 10 0 ADAERN Cc1nc([C@H](CO)NC2CC2)cs1 126760722 573671208 /nfs/dbraw/zinc/67/12/08/573671208.db2.gz ZQWTWELIMYGCSH-QMMMGPOBSA-N 0 0 198.291 1.237 10 0 ADAERN COc1nc2c(O)cccc2[nH]1 144638129 573671218 /nfs/dbraw/zinc/67/12/18/573671218.db2.gz IVEUVLAHAVTWII-UHFFFAOYSA-N 0 0 164.164 1.277 10 0 ADAERN C=C=C/C(C)=C\CO 238475874 573671237 /nfs/dbraw/zinc/67/12/37/573671237.db2.gz IGRKFDPWNRTLGE-ALCCZGGFSA-N 0 0 110.156 1.266 10 0 ADAERN CC[C@]1(C)C[C@@H]1C(=O)NCCCF 308412303 573671249 /nfs/dbraw/zinc/67/12/49/573671249.db2.gz LZOXEJLSIGHEMV-PSASIEDQSA-N 0 0 187.258 1.898 10 0 ADAERN CC[C@@H](C)C(=O)C[C@H](C)C(=O)OC 43369040 573671257 /nfs/dbraw/zinc/67/12/57/573671257.db2.gz ANRMLEXZBAWPHQ-SFYZADRCSA-N 0 0 186.251 1.801 10 0 ADAERN CC/C=C/[C@@H](C)CO 144656782 573671270 /nfs/dbraw/zinc/67/12/70/573671270.db2.gz MPUDDMDNHKEYAK-SMMXGFFBSA-N 0 0 114.188 1.581 10 0 ADAERN CC(=O)CC(=O)N[C@@H]1CCCC1(C)C 86877854 573671276 /nfs/dbraw/zinc/67/12/76/573671276.db2.gz AFBIOWHSMPSFPS-SECBINFHSA-N 0 0 197.278 1.660 10 0 ADAERN CC1CCC([C@H]2NC(=O)NC2=O)CC1 83825752 573671277 /nfs/dbraw/zinc/67/12/77/573671277.db2.gz OFTXNIYTVYXNBX-KAVNDROISA-N 0 0 196.250 1.021 10 0 ADAERN COC(=O)[C@@](N)(C1CCC1)[C@@H](C)F 257846681 573671278 /nfs/dbraw/zinc/67/12/78/573671278.db2.gz NVPKLJJUANWXGR-MUWHJKNJSA-N 0 0 189.230 1.015 10 0 ADAERN CC1=CC[C@H]([C@@H](C)O)C1 238466997 573671330 /nfs/dbraw/zinc/67/13/30/573671330.db2.gz RIDHYPAFMJDTMB-SFYZADRCSA-N 0 0 126.199 1.724 10 0 ADAERN CC(C)(ON)[C@H]1CCCCO1 259546760 573671351 /nfs/dbraw/zinc/67/13/51/573671351.db2.gz VWOBBHYAACKXOO-SSDOTTSWSA-N 0 0 159.229 1.224 10 0 ADAERN CCCC[C@H](O)C[C@H](C)C(=O)OC 43371789 573671353 /nfs/dbraw/zinc/67/13/53/573671353.db2.gz MEKOIAPGOBOXGF-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN Clc1cnccc1C=C1C[NH2+]C1 86881868 573671361 /nfs/dbraw/zinc/67/13/61/573671361.db2.gz IHZVSKAZFRCMGA-UHFFFAOYSA-N 0 0 180.638 1.722 10 0 ADAERN C[C@@H]1[NH2+]Cc2ccc(CO)cc21 107928727 573671363 /nfs/dbraw/zinc/67/13/63/573671363.db2.gz XIDGLINVRKVNEP-ZETCQYMHSA-N 0 0 163.220 1.343 10 0 ADAERN C[C@@]1(CCO)C=CCC1 238475708 573671364 /nfs/dbraw/zinc/67/13/64/573671364.db2.gz CZJCCGXNOCXLHJ-MRVPVSSYSA-N 0 0 126.199 1.725 10 0 ADAERN CC(C)CCc1c(N)n[nH]c1N 144670640 573671372 /nfs/dbraw/zinc/67/13/72/573671372.db2.gz ZELJLCMPEJDJCK-UHFFFAOYSA-N 0 0 168.244 1.163 10 0 ADAERN COC(=O)C[C@@H](C)C(=O)C(C)C 43368835 573671378 /nfs/dbraw/zinc/67/13/78/573671378.db2.gz JZPHTYWBIHNWPQ-SSDOTTSWSA-N 0 0 172.224 1.411 10 0 ADAERN Cc1cc2c(cc1NCO)OCCO2 258874023 573671380 /nfs/dbraw/zinc/67/13/80/573671380.db2.gz GXGSJFWYCSVSLM-UHFFFAOYSA-N 0 0 195.218 1.128 10 0 ADAERN OCc1cc(C[C@H]2CCCS2)n[nH]1 258413663 573671387 /nfs/dbraw/zinc/67/13/87/573671387.db2.gz DIZSTGPSVIRAJP-SECBINFHSA-N 0 0 198.291 1.340 10 0 ADAERN Nc1nccnc1-c1ccc(F)cc1 83824859 573673713 /nfs/dbraw/zinc/67/37/13/573673713.db2.gz IPOXYPJZPWITDH-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Cc1cc(N)n2nc(C)c(N=O)c2n1 238475603 573671391 /nfs/dbraw/zinc/67/13/91/573671391.db2.gz JPQJZSWJUZPPDM-UHFFFAOYSA-N 0 0 191.194 1.326 10 0 ADAERN CCCSc1cc(C)nc(N)n1 83824925 573671402 /nfs/dbraw/zinc/67/14/02/573671402.db2.gz GFDOQPINAJXDOD-UHFFFAOYSA-N 0 0 183.280 1.869 10 0 ADAERN Cc1noc([C@@H]([NH3+])CCC(=O)[O-])c1C 214930496 573671424 /nfs/dbraw/zinc/67/14/24/573671424.db2.gz WJHPWRZWPVCZFB-ZETCQYMHSA-N 0 0 198.222 1.156 10 0 ADAERN COC(=O)[C@H](C)CC(=O)C(C)(C)C 43368877 573671427 /nfs/dbraw/zinc/67/14/27/573671427.db2.gz AYFCJJGXDYVQAL-SSDOTTSWSA-N 0 0 186.251 1.801 10 0 ADAERN Cc1cc(N)n2ncc(N=O)c2n1 238475635 573671431 /nfs/dbraw/zinc/67/14/31/573671431.db2.gz PECZHJMAMNSFHZ-UHFFFAOYSA-N 0 0 177.167 1.018 10 0 ADAERN C[C@@H]1NC(=O)N[C@H]1C1CCCCC1 238476089 573671439 /nfs/dbraw/zinc/67/14/39/573671439.db2.gz WQIHOHWHYYBYDU-IONNQARKSA-N 0 0 182.267 1.637 10 0 ADAERN COC(=O)C(C)(C)c1nc(C)c[nH]1 259154918 573671443 /nfs/dbraw/zinc/67/14/43/573671443.db2.gz SYVLNCZEMYGPAC-UHFFFAOYSA-N 0 0 182.223 1.169 10 0 ADAERN Cc1noc([C@H]([NH3+])CCC(=O)[O-])c1C 214930445 573671456 /nfs/dbraw/zinc/67/14/56/573671456.db2.gz WJHPWRZWPVCZFB-SSDOTTSWSA-N 0 0 198.222 1.156 10 0 ADAERN C[C@H]1CC(=O)C[C@]2(CCCO2)O1 238475890 573671480 /nfs/dbraw/zinc/67/14/80/573671480.db2.gz QOJQFMYVPWCJTJ-CBAPKCEASA-N 0 0 170.208 1.261 10 0 ADAERN Cc1ccc(N)cc1[S@@](C)=O 83825139 573671489 /nfs/dbraw/zinc/67/14/89/573671489.db2.gz HHPTZWDMZMSXRH-NSHDSACASA-N 0 0 169.249 1.315 10 0 ADAERN CC1(C)CCCC[C@@H]1n1nnnc1N 86878473 573671502 /nfs/dbraw/zinc/67/15/02/573671502.db2.gz RURIUTSNFDOIEY-ZETCQYMHSA-N 0 0 195.270 1.397 10 0 ADAERN Cc1[nH]c(=O)n(-c2cccnc2)c1C 238475446 573671510 /nfs/dbraw/zinc/67/15/10/573671510.db2.gz LJHDKRRGWNAKPD-UHFFFAOYSA-N 0 0 189.218 1.177 10 0 ADAERN Cc1cc(N)n2cc(Cl)nc2n1 238475559 573671521 /nfs/dbraw/zinc/67/15/21/573671521.db2.gz QFPWTSOIUPMJIE-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN NC1=N[C@H](C2CCCCC2)CO1 83824982 573673719 /nfs/dbraw/zinc/67/37/19/573673719.db2.gz FZHHXSYKURONRW-QMMMGPOBSA-N 0 0 168.240 1.280 10 0 ADAERN COC(=O)C[C@H](C)C(=O)C1CC1 43368840 573671532 /nfs/dbraw/zinc/67/15/32/573671532.db2.gz IEVPWPBXPUKJMY-LURJTMIESA-N 0 0 170.208 1.165 10 0 ADAERN CC1(C)CCC[C@H]1NC=O 86879304 573671536 /nfs/dbraw/zinc/67/15/36/573671536.db2.gz CPLWQXAIMIMIGG-SSDOTTSWSA-N 0 0 141.214 1.311 10 0 ADAERN Cc1[nH]c(=O)n(-c2ccncc2)c1C 238475473 573671541 /nfs/dbraw/zinc/67/15/41/573671541.db2.gz YMTODNXYAGFZFI-UHFFFAOYSA-N 0 0 189.218 1.177 10 0 ADAERN CSc1nc2c(c(=O)[nH]1)C[C@H](C)C2 144653505 573671562 /nfs/dbraw/zinc/67/15/62/573671562.db2.gz HFOBAAFKUKAAEX-YFKPBYRVSA-N 0 0 196.275 1.227 10 0 ADAERN CC1(C)CCC[C@@H]1N1C[C@@H](O)CC1=O 86877994 573671574 /nfs/dbraw/zinc/67/15/74/573671574.db2.gz GKOBXIYBLJJVQV-IUCAKERBSA-N 0 0 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/nfs/dbraw/zinc/67/28/33/573672833.db2.gz XZNWDDHLWGVVOG-SECBINFHSA-N 0 0 186.251 1.491 10 0 ADAERN CCCCc1nc(C)cc(N)n1 83825464 573672834 /nfs/dbraw/zinc/67/28/34/573672834.db2.gz QZCRXVMYERPLRT-UHFFFAOYSA-N 0 0 165.240 1.710 10 0 ADAERN C[C@H]1CC/C=C\CCC(=O)N1 144682825 573672838 /nfs/dbraw/zinc/67/28/38/573672838.db2.gz GUSAAWXVUUYJPE-KZUAUGPASA-N 0 0 153.225 1.621 10 0 ADAERN Cc1c(O)ccc(C(C)(C)CO)c1O 258078126 573672843 /nfs/dbraw/zinc/67/28/43/573672843.db2.gz MUJQSVAKRYYSBT-UHFFFAOYSA-N 0 0 196.246 1.676 10 0 ADAERN O=C([O-])/C=C/[NH2+]CCC(F)(F)F 236442417 573672844 /nfs/dbraw/zinc/67/28/44/573672844.db2.gz CLYWINPYOGIJBM-HNQUOIGGSA-N 0 0 183.129 1.127 10 0 ADAERN Nc1nnnn1CCC1CCCCC1 83824902 573672848 /nfs/dbraw/zinc/67/28/48/573672848.db2.gz HEQQHPJTBUYBPX-UHFFFAOYSA-N 0 0 195.270 1.226 10 0 ADAERN COC(=O)c1ccc2c(c1C)NCC2 259546750 573672873 /nfs/dbraw/zinc/67/28/73/573672873.db2.gz TVWUBNASYXQPLW-UHFFFAOYSA-N 0 0 191.230 1.750 10 0 ADAERN CCc1cc([C@@H](NN)C(C)C)n(C)n1 126760086 573672880 /nfs/dbraw/zinc/67/28/80/573672880.db2.gz VDHDZDTXAOSIOE-JTQLQIEISA-N 0 0 196.298 1.143 10 0 ADAERN CCC[C@@H]1CCN(C(=O)[C@@H](C)O)C1 308410891 573672893 /nfs/dbraw/zinc/67/28/93/573672893.db2.gz LPNYZFIYMMTOFR-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN O=C([O-])[C@H]1C[C@H]2[C@H](C1)C1CC[NH+]2CC1 107958363 573672908 /nfs/dbraw/zinc/67/29/08/573672908.db2.gz YWBOMIWYMQTVFG-BBBLOLIVSA-N 0 0 195.262 1.191 10 0 ADAERN CC(=O)[C@@H](C)Nc1ccccn1 144656544 573672912 /nfs/dbraw/zinc/67/29/12/573672912.db2.gz PGWQSRWDLYEZKU-SSDOTTSWSA-N 0 0 164.208 1.471 10 0 ADAERN COCC[C@@H](O)Cc1ccoc1 130725622 573672915 /nfs/dbraw/zinc/67/29/15/573672915.db2.gz AFLKNMHEGBDCQC-SECBINFHSA-N 0 0 170.208 1.220 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]2C3CC[NH+](CC3)[C@H]21 107959023 573672937 /nfs/dbraw/zinc/67/29/37/573672937.db2.gz ITOORWJGORSQNG-IVZWLZJFSA-N 0 0 195.262 1.191 10 0 ADAERN C[C@H]1CC2(CC=C1CO)OCCO2 238467201 573672946 /nfs/dbraw/zinc/67/29/46/573672946.db2.gz DUOLWTZPUVCQON-QMMMGPOBSA-N 0 0 184.235 1.078 10 0 ADAERN CCCOC(=O)CCC(=O)CC 43369135 573672951 /nfs/dbraw/zinc/67/29/51/573672951.db2.gz AFEZTROCPHBVGH-UHFFFAOYSA-N 0 0 172.224 1.699 10 0 ADAERN CC[C@@H](C)C(=O)[C@H](C)CC(=O)OC 43368830 573672956 /nfs/dbraw/zinc/67/29/56/573672956.db2.gz LPXVITGUAQBDQT-HTQZYQBOSA-N 0 0 186.251 1.801 10 0 ADAERN Cc1c(Cl)cnc2[nH]c(=O)[nH]c12 238475852 573672970 /nfs/dbraw/zinc/67/29/70/573672970.db2.gz OQRWLUVQAUUPJA-UHFFFAOYSA-N 0 0 183.598 1.213 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]2C3CC[NH+](CC3)[C@H]2C1 107958364 573672977 /nfs/dbraw/zinc/67/29/77/573672977.db2.gz YWBOMIWYMQTVFG-UTLUCORTSA-N 0 0 195.262 1.191 10 0 ADAERN CCCC[C@@H](O)C[C@H](C)C(=O)OC 43371791 573672993 /nfs/dbraw/zinc/67/29/93/573672993.db2.gz MEKOIAPGOBOXGF-DTWKUNHWSA-N 0 0 188.267 1.737 10 0 ADAERN NOCc1coc2c(F)cccc12 258077834 573672996 /nfs/dbraw/zinc/67/29/96/573672996.db2.gz HGELNRQWOTYYQK-UHFFFAOYSA-N 0 0 181.166 1.962 10 0 ADAERN COCc1cc(C)cc(C=O)c1O 144626272 573673037 /nfs/dbraw/zinc/67/30/37/573673037.db2.gz APOKCDKHOVMCCB-UHFFFAOYSA-N 0 0 180.203 1.660 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)C(C)(C)O)C1 238475513 573673038 /nfs/dbraw/zinc/67/30/38/573673038.db2.gz MVMNWSKOUQUBEO-JGVFFNPUSA-N 0 0 170.252 1.763 10 0 ADAERN CC/C=C/C(=O)O[C@H]1C[C@@H](OC)C1 308410843 573673052 /nfs/dbraw/zinc/67/30/52/573673052.db2.gz LMQWEIPGDWAVPS-ZZGNMTITSA-N 0 0 184.235 1.673 10 0 ADAERN Cc1ccnc(C(F)F)c1C(N)=O 238466914 573673054 /nfs/dbraw/zinc/67/30/54/573673054.db2.gz VTRXXMMKENVQRC-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN Cc1ccsc1[C@H]1CNC(=O)N1C 259154766 573673058 /nfs/dbraw/zinc/67/30/58/573673058.db2.gz UYRJLIRBLAWMPF-SSDOTTSWSA-N 0 0 196.275 1.753 10 0 ADAERN CC(C)CCc1noc([C@@H](C)N)n1 43374019 573673084 /nfs/dbraw/zinc/67/30/84/573673084.db2.gz RJLAUQYWJUWBHF-SSDOTTSWSA-N 0 0 183.255 1.678 10 0 ADAERN CC[C@H]1C[C@H](O)[C@@]2(CCCO2)O1 144681354 573673100 /nfs/dbraw/zinc/67/31/00/573673100.db2.gz LMIYXQBFZYQXKQ-XHNCKOQMSA-N 0 0 172.224 1.053 10 0 ADAERN C[C@H](CO)C[C@H]1COC(C)(C)O1 144689433 573675337 /nfs/dbraw/zinc/67/53/37/573675337.db2.gz BHOMSQWMIXVGAE-YUMQZZPRSA-N 0 0 174.240 1.156 10 0 ADAERN COCCCC(=O)Cc1ccoc1 130624081 573673181 /nfs/dbraw/zinc/67/31/81/573673181.db2.gz GAAZVZKCTKDPQT-UHFFFAOYSA-N 0 0 182.219 1.818 10 0 ADAERN Clc1ccc2c(c1)CCNN2 258078599 573673162 /nfs/dbraw/zinc/67/31/62/573673162.db2.gz VKIUYRVZFTZHLW-UHFFFAOYSA-N 0 0 168.627 1.813 10 0 ADAERN CN1CCN(Cc2ccco2)C1=O 259155297 573673189 /nfs/dbraw/zinc/67/31/89/573673189.db2.gz FSJRPWJTGIQMMJ-UHFFFAOYSA-N 0 0 180.207 1.147 10 0 ADAERN C[C@@H]1CC(=O)c2ccccc2[C@@H]1O 238476271 573673192 /nfs/dbraw/zinc/67/31/92/573673192.db2.gz ZSFNOECAMLAFMB-RDDDGLTNSA-N 0 0 176.215 1.943 10 0 ADAERN NOCc1ccc(F)cc1C=O 258078351 573673203 /nfs/dbraw/zinc/67/32/03/573673203.db2.gz VGEUKVZQHKFOJJ-UHFFFAOYSA-N 0 0 169.155 1.029 10 0 ADAERN [NH3+]C1(CC[C@@H]2CCC[C@@H]2C(=O)[O-])CC1 257846644 573673227 /nfs/dbraw/zinc/67/32/27/573673227.db2.gz NUXODTMNCDMVIC-IUCAKERBSA-N 0 0 197.278 1.759 10 0 ADAERN CC1(C)CCC[C@@H]1N1CCC(=O)C1 86875375 573673233 /nfs/dbraw/zinc/67/32/33/573673233.db2.gz RTRPNRIAZXMZIX-JTQLQIEISA-N 0 0 181.279 1.840 10 0 ADAERN C[C@]1(c2nnc(C=O)o2)CCCCO1 258077181 573673252 /nfs/dbraw/zinc/67/32/52/573673252.db2.gz LZSYRHYLVMALKL-SECBINFHSA-N 0 0 196.206 1.298 10 0 ADAERN CCSc1cccc(N)n1 83825355 573673254 /nfs/dbraw/zinc/67/32/54/573673254.db2.gz ASXVMBVOPHNUHE-UHFFFAOYSA-N 0 0 154.238 1.776 10 0 ADAERN CCc1nc([C@H](C)OC)nc(N)c1C 83824895 573673261 /nfs/dbraw/zinc/67/32/61/573673261.db2.gz GFLGUVBJDLABFA-ZETCQYMHSA-N 0 0 195.266 1.637 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H](CO)C(C)C 258873152 573673262 /nfs/dbraw/zinc/67/32/62/573673262.db2.gz ZUOHWHXFJPFQBW-IUCAKERBSA-N 0 0 187.283 1.166 10 0 ADAERN O=[N+]([O-])/C=C\[C@@H]1CCCOC1 215579896 573673278 /nfs/dbraw/zinc/67/32/78/573673278.db2.gz RCLORZRUGMDITM-AVALRIAPSA-N 0 0 157.169 1.203 10 0 ADAERN CCCC=C1C[NH2+]C1 86881880 573673316 /nfs/dbraw/zinc/67/33/16/573673316.db2.gz BCPUCKARBLMDTE-UHFFFAOYSA-N 0 0 111.188 1.316 10 0 ADAERN C[C@H]1CCC(=O)[C@@H](CF)O1 238475650 573673319 /nfs/dbraw/zinc/67/33/19/573673319.db2.gz FJYUJGQVZIXDDR-CAHLUQPWSA-N 0 0 146.161 1.093 10 0 ADAERN C[C@@H]1NC(=O)N[C@@H]1C1=CCCCC1 238475737 573673335 /nfs/dbraw/zinc/67/33/35/573673335.db2.gz SCCOVFWBNBPSPD-CBAPKCEASA-N 0 0 180.251 1.557 10 0 ADAERN COCC(=O)c1ccccc1N 83825091 573673344 /nfs/dbraw/zinc/67/33/44/573673344.db2.gz QCXBMKJBJGMFIY-UHFFFAOYSA-N 0 0 165.192 1.098 10 0 ADAERN CC(C)C[C@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258076076 573673346 /nfs/dbraw/zinc/67/33/46/573673346.db2.gz FNGLASZCORTAAH-PSASIEDQSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@@H]1/C=C\C(=O)[O-] 258076073 573673634 /nfs/dbraw/zinc/67/36/34/573673634.db2.gz FNEJTXSNTXCUPU-JYESYGNLSA-N 0 0 197.278 1.890 10 0 ADAERN CC1(C)CCC[C@@H]1NC#N 86874816 573673355 /nfs/dbraw/zinc/67/33/55/573673355.db2.gz LFVQBKYKGAFNCK-ZETCQYMHSA-N 0 0 138.214 1.636 10 0 ADAERN O=C(OCCC1(O)CC1)C1CCC1 308412421 573673366 /nfs/dbraw/zinc/67/33/66/573673366.db2.gz PCEMWXUFMDLKTK-UHFFFAOYSA-N 0 0 184.235 1.245 10 0 ADAERN S=c1[nH]cc(C2CCOCC2)[nH]1 259154966 573673379 /nfs/dbraw/zinc/67/33/79/573673379.db2.gz SZQLAZJBHNMVLR-UHFFFAOYSA-N 0 0 184.264 1.592 10 0 ADAERN Cc1cc(SC(C)C)nc(N)n1 83824923 573673380 /nfs/dbraw/zinc/67/33/80/573673380.db2.gz KAJPHYHKRRKBHD-UHFFFAOYSA-N 0 0 183.280 1.868 10 0 ADAERN COC1CC(N(C)C(=O)C(C)C)C1 308410893 573673390 /nfs/dbraw/zinc/67/33/90/573673390.db2.gz LPQLGHGQEFPAQI-UHFFFAOYSA-N 0 0 185.267 1.278 10 0 ADAERN CCC/C=C\COC(=O)[C@H](C)OC 308414909 573676394 /nfs/dbraw/zinc/67/63/94/573676394.db2.gz QDLGFSXOKXXXNA-NMTCXDENSA-N 0 0 186.251 1.921 10 0 ADAERN CC[C@H](C)C(=O)C[C@@H](C)C(=O)OC 43369039 573673424 /nfs/dbraw/zinc/67/34/24/573673424.db2.gz ANRMLEXZBAWPHQ-JGVFFNPUSA-N 0 0 186.251 1.801 10 0 ADAERN CC(=O)C1(C(C)=O)C[C@@H]1C 238467077 573673434 /nfs/dbraw/zinc/67/34/34/573673434.db2.gz KZRYRTOFLREEAP-YFKPBYRVSA-N 0 0 140.182 1.191 10 0 ADAERN CC[C@@H](C)NC(=O)[C@H](CO)C(C)C 258873154 573673445 /nfs/dbraw/zinc/67/34/45/573673445.db2.gz ZUOHWHXFJPFQBW-RKDXNWHRSA-N 0 0 187.283 1.166 10 0 ADAERN COc1c(CO)cnn1CC(C)(C)C 258076947 573673464 /nfs/dbraw/zinc/67/34/64/573673464.db2.gz SWCLDKWFRIMVFI-UHFFFAOYSA-N 0 0 198.266 1.430 10 0 ADAERN CCC[N@H+](C)CC[C@H](C)C(=O)[O-] 258866476 573673480 /nfs/dbraw/zinc/67/34/80/573673480.db2.gz KQOLYEAQMKRPMW-QMMMGPOBSA-N 0 0 173.256 1.439 10 0 ADAERN CCn1cc(N)nc1SC(C)C 257846650 573673640 /nfs/dbraw/zinc/67/36/40/573673640.db2.gz AKKYZPSPPPLPCB-UHFFFAOYSA-N 0 0 185.296 1.986 10 0 ADAERN C[S@@](=O)c1ccc(N)cc1Cl 83825252 573673496 /nfs/dbraw/zinc/67/34/96/573673496.db2.gz ANOFKKZWLQDUDU-NSHDSACASA-N 0 0 189.667 1.660 10 0 ADAERN C[C@@H]1C[C@@H](CO)N(c2ccccc2)C1 238467125 573673503 /nfs/dbraw/zinc/67/35/03/573673503.db2.gz UJMHVXGAKOFFRJ-PWSUYJOCSA-N 0 0 191.274 1.894 10 0 ADAERN CC[C@@H](C)n1ccc(C=C2C[NH2+]C2)n1 86881853 573673505 /nfs/dbraw/zinc/67/35/05/573673505.db2.gz 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AGSANMLEFQRCQA-QMMMGPOBSA-N 0 0 197.259 1.925 10 0 ADAERN NC(=O)NC(=O)Nc1cccc(F)c1 144661356 573674621 /nfs/dbraw/zinc/67/46/21/573674621.db2.gz QPJFZWBHMZMDAU-UHFFFAOYSA-N 0 0 197.169 1.026 10 0 ADAERN CCC[C@@H]1SC=CNC1=O 144678646 573674630 /nfs/dbraw/zinc/67/46/30/573674630.db2.gz KTWHWOFGVTVQIJ-LURJTMIESA-N 0 0 157.238 1.489 10 0 ADAERN CCCc1nc2c(C=O)cccn2n1 258076593 573674638 /nfs/dbraw/zinc/67/46/38/573674638.db2.gz VPEQXJUYAVFZMB-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN C[C@]1(c2ccccc2)CC(=O)O[C@H]1O 238467679 573674653 /nfs/dbraw/zinc/67/46/53/573674653.db2.gz QJBWRFWLOQGOAW-GHMZBOCLSA-N 0 0 192.214 1.210 10 0 ADAERN Cc1nc([C@@H](CO)NC2CC2)cs1 126760491 573674662 /nfs/dbraw/zinc/67/46/62/573674662.db2.gz ZQWTWELIMYGCSH-MRVPVSSYSA-N 0 0 198.291 1.237 10 0 ADAERN OC1(c2cc(F)c3c(c2)OCO3)CC1 258078099 573674722 /nfs/dbraw/zinc/67/47/22/573674722.db2.gz MTSHFFLUZVCGDI-UHFFFAOYSA-N 0 0 196.177 1.536 10 0 ADAERN C[C@@](O)(CO)[C@]1(C)CC1(Cl)Cl 238468556 573674741 /nfs/dbraw/zinc/67/47/41/573674741.db2.gz YONPAJOPYLPBKN-NTSWFWBYSA-N 0 0 199.077 1.314 10 0 ADAERN C[C@H]1CCCc2c1noc2N 238467534 573674751 /nfs/dbraw/zinc/67/47/51/573674751.db2.gz JQBKUIBOGUKZNI-YFKPBYRVSA-N 0 0 152.197 1.697 10 0 ADAERN C[C@H]1CC=C(C(C)(C)O)CC1=O 238467952 573674767 /nfs/dbraw/zinc/67/47/67/573674767.db2.gz YFHOCRVTDJJXBS-ZETCQYMHSA-N 0 0 168.236 1.683 10 0 ADAERN Oc1ccc2c(c1)OCC1(CC1)CN2 257846165 573674781 /nfs/dbraw/zinc/67/47/81/573674781.db2.gz AFMRXOCKYVBMOD-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN C/C(=C/[C@@H]1CCC(=O)[C@H]1C)CCO 238468004 573675458 /nfs/dbraw/zinc/67/54/58/573675458.db2.gz IPDGYGDOOTZUBD-OWSSEVEYSA-N 0 0 182.263 1.930 10 0 ADAERN C[C@@H]1CC(=S)NC[C@H](C)C1 238468533 573674823 /nfs/dbraw/zinc/67/48/23/573674823.db2.gz MXXVKBYKVWDPIW-NKWVEPMBSA-N 0 0 157.282 1.969 10 0 ADAERN COc1cccc(CNO)c1SC 258076710 573674829 /nfs/dbraw/zinc/67/48/29/573674829.db2.gz IOBWHSLTLDIXDP-UHFFFAOYSA-N 0 0 199.275 1.896 10 0 ADAERN Cc1ccc2c(c1)nc1n2C[C@@H](O)C1 259617392 573674861 /nfs/dbraw/zinc/67/48/61/573674861.db2.gz DZCJBWZAGJLTMP-QMMMGPOBSA-N 0 0 188.230 1.262 10 0 ADAERN NC(=O)NC(=O)Nc1ccc(F)cc1 144661576 573674874 /nfs/dbraw/zinc/67/48/74/573674874.db2.gz CLBJAQSKQSWTAF-UHFFFAOYSA-N 0 0 197.169 1.026 10 0 ADAERN CC(C)C[C@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258076079 573674884 /nfs/dbraw/zinc/67/48/84/573674884.db2.gz FNGLASZCORTAAH-SCZZXKLOSA-N 0 0 185.267 1.485 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]2C3CC[NH+](CC3)[C@@H]2C1 107958367 573674906 /nfs/dbraw/zinc/67/49/06/573674906.db2.gz YWBOMIWYMQTVFG-OPRDCNLKSA-N 0 0 195.262 1.191 10 0 ADAERN C[C@H]1NC(=O)O[C@H]1c1cccc(O)c1 238468064 573675464 /nfs/dbraw/zinc/67/54/64/573675464.db2.gz XBSXAEMAKPPAOM-HZGVNTEJSA-N 0 0 193.202 1.562 10 0 ADAERN C[C@]1(CC(=O)CO)CCCCC1=O 238468543 573674910 /nfs/dbraw/zinc/67/49/10/573674910.db2.gz LBGKGQGYGHKNBA-SNVBAGLBSA-N 0 0 184.235 1.087 10 0 ADAERN OCC/C=C\C[C@@H]1CCCO1 258078420 573674912 /nfs/dbraw/zinc/67/49/12/573674912.db2.gz FRLJCMIBDBEIPP-JKERVTFKSA-N 0 0 156.225 1.494 10 0 ADAERN C[C@H]1CCCc2cnn(C(N)=O)c21 238468083 573674914 /nfs/dbraw/zinc/67/49/14/573674914.db2.gz JPJKPEXUELSQPE-LURJTMIESA-N 0 0 179.223 1.250 10 0 ADAERN O=Cc1nc(C[C@H]2CCCS2)no1 258078703 573674923 /nfs/dbraw/zinc/67/49/23/573674923.db2.gz QVGSGDJDCKMRJT-ZCFIWIBFSA-N 0 0 198.247 1.320 10 0 ADAERN CC(=O)C(=O)NCC(C)(C)CC(C)C 258859710 573674936 /nfs/dbraw/zinc/67/49/36/573674936.db2.gz FAKQBGVBNVXQCK-UHFFFAOYSA-N 0 0 199.294 1.764 10 0 ADAERN CCCC[C@@H](O)C[C@@H](C)C(=O)OC 43371787 573674940 /nfs/dbraw/zinc/67/49/40/573674940.db2.gz MEKOIAPGOBOXGF-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN C[C@@H](O)[C@H]1CCC=CO1 238467487 573674943 /nfs/dbraw/zinc/67/49/43/573674943.db2.gz XUALZUHGZNAITD-RNFRBKRXSA-N 0 0 128.171 1.060 10 0 ADAERN CC(C)(ON)[C@H]1CCCOC1 259546696 573674951 /nfs/dbraw/zinc/67/49/51/573674951.db2.gz VUNIJFIFMQQUAV-ZETCQYMHSA-N 0 0 159.229 1.082 10 0 ADAERN CN1C[C@@](C)(c2ccccc2)C1=O 149720433 573674952 /nfs/dbraw/zinc/67/49/52/573674952.db2.gz PYLVTNQIUJBYBB-NSHDSACASA-N 0 0 175.231 1.416 10 0 ADAERN COC(=O)[C@H](C)CC(=O)CC(C)C 43369028 573674959 /nfs/dbraw/zinc/67/49/59/573674959.db2.gz CNPGSFGWODJGPZ-MRVPVSSYSA-N 0 0 186.251 1.801 10 0 ADAERN Cc1cc(O)cc(C)c1CCO 258078383 573674965 /nfs/dbraw/zinc/67/49/65/573674965.db2.gz VHDHAKJGKXMDLD-UHFFFAOYSA-N 0 0 166.220 1.544 10 0 ADAERN Cc1n[nH]c(C)c1OC1CCC1 238468563 573674994 /nfs/dbraw/zinc/67/49/94/573674994.db2.gz YEFZYYVNRHARAO-UHFFFAOYSA-N 0 0 166.224 1.958 10 0 ADAERN C=CC[N@H+]1CC[C@@H](CC)C[C@H]1C(=O)[O-] 159041162 573674998 /nfs/dbraw/zinc/67/49/98/573674998.db2.gz DTUJBXCFCNVWFF-ZJUUUORDSA-N 0 0 197.278 1.748 10 0 ADAERN O=Cc1ncccc1OCC(F)F 308414974 573675011 /nfs/dbraw/zinc/67/50/11/573675011.db2.gz QENGSQVLIWPCNS-UHFFFAOYSA-N 0 0 187.145 1.538 10 0 ADAERN CCO[C@H]1C[C@H]1c1nc(C)c(CO)o1 690050951 573675020 /nfs/dbraw/zinc/67/50/20/573675020.db2.gz GFLFLHSVKPFCIC-SFYZADRCSA-N 0 0 197.234 1.368 10 0 ADAERN CC(C)N1CC(=O)CC1(C)C 259550526 573675023 /nfs/dbraw/zinc/67/50/23/573675023.db2.gz XGPHHABLRMNDCC-UHFFFAOYSA-N 0 0 155.241 1.448 10 0 ADAERN O=Cc1ccc2c(c1)C(=O)CCO2 144633718 573675078 /nfs/dbraw/zinc/67/50/78/573675078.db2.gz FBNIOMVBEDPPND-UHFFFAOYSA-N 0 0 176.171 1.464 10 0 ADAERN CC[C@@H](C)C(=O)[C@@H](C)CC(=O)OC 43368828 573675081 /nfs/dbraw/zinc/67/50/81/573675081.db2.gz LPXVITGUAQBDQT-SFYZADRCSA-N 0 0 186.251 1.801 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H]1C/C=C\C(=O)[O-] 258076336 573675093 /nfs/dbraw/zinc/67/50/93/573675093.db2.gz FPVFIQWXSFJDOO-WXGCRTCVSA-N 0 0 197.278 1.890 10 0 ADAERN CO/C=C\[C@@H]1CCCC[C@@H]1NC(C)=O 308415023 573675107 /nfs/dbraw/zinc/67/51/07/573675107.db2.gz JQWLZIUAOOZFTJ-ZXXKLBARSA-N 0 0 197.278 1.841 10 0 ADAERN CCC[C@H](CO)CSC 258078821 573675108 /nfs/dbraw/zinc/67/51/08/573675108.db2.gz JDEJIBCBBXRFRG-SSDOTTSWSA-N 0 0 148.271 1.758 10 0 ADAERN OC1(c2ccc3c(c2)COCC3)CC1 258078165 573675114 /nfs/dbraw/zinc/67/51/14/573675114.db2.gz MVSQEQQOJVRPGT-UHFFFAOYSA-N 0 0 190.242 1.741 10 0 ADAERN C[N@H+](C/C=C/C(=O)[O-])Cc1cc[nH]c1 258867328 573675118 /nfs/dbraw/zinc/67/51/18/573675118.db2.gz HRDKNFJNVYMMMM-NSCUHMNNSA-N 0 0 194.234 1.087 10 0 ADAERN Cc1cc(O)c(C)c2n[nH]nc12 238468409 573675120 /nfs/dbraw/zinc/67/51/20/573675120.db2.gz SDUHBPAJKXYLIG-UHFFFAOYSA-N 0 0 163.180 1.280 10 0 ADAERN COC(=O)C[C@@H](C)C(=O)C1CC1 43368841 573675152 /nfs/dbraw/zinc/67/51/52/573675152.db2.gz IEVPWPBXPUKJMY-ZCFIWIBFSA-N 0 0 170.208 1.165 10 0 ADAERN CCC(C)(C)C[NH2+]C(C)(C)C(=O)[O-] 258859860 573675154 /nfs/dbraw/zinc/67/51/54/573675154.db2.gz SQCDSUFFKYGGQR-UHFFFAOYSA-N 0 0 187.283 1.875 10 0 ADAERN CC(=O)[C@@H](O)c1ccc(F)c(C)c1 259155394 573675163 /nfs/dbraw/zinc/67/51/63/573675163.db2.gz NGBIPHXGBMXIEZ-SNVBAGLBSA-N 0 0 182.194 1.757 10 0 ADAERN C[C@H]1CC2C[C@H](C)N1CC2=O 238467840 573675172 /nfs/dbraw/zinc/67/51/72/573675172.db2.gz WGPCAHWXANOXGT-BQBZGAKWSA-N 0 0 153.225 1.058 10 0 ADAERN Cc1[nH]c2ccccc2c1N(C)CO 258860249 573675180 /nfs/dbraw/zinc/67/51/80/573675180.db2.gz FJKILWATZGCQQB-UHFFFAOYSA-N 0 0 190.246 1.862 10 0 ADAERN OCCc1ccc(Cl)cc1CO 144631818 573675184 /nfs/dbraw/zinc/67/51/84/573675184.db2.gz KSMLGHDAQKIDMD-UHFFFAOYSA-N 0 0 186.638 1.367 10 0 ADAERN C[C@]1(c2ccccc2)CCO[C@@H]1O 238468079 573675204 /nfs/dbraw/zinc/67/52/04/573675204.db2.gz PYULBEZBAFXHLI-WDEREUQCSA-N 0 0 178.231 1.683 10 0 ADAERN C[NH2+]Cc1ccc(C)cc1C(=O)[O-] 258077019 573675227 /nfs/dbraw/zinc/67/52/27/573675227.db2.gz HYCPXZXWIXWDRM-UHFFFAOYSA-N 0 0 179.219 1.413 10 0 ADAERN Cc1c(Cl)ccc2nncn12 238468274 573675230 /nfs/dbraw/zinc/67/52/30/573675230.db2.gz LBEZYEQAOFXPLS-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN Nc1cccc(/C=C\c2ncno2)c1 308415249 573675233 /nfs/dbraw/zinc/67/52/33/573675233.db2.gz MPPCSAQNCHIKBK-PLNGDYQASA-N 0 0 187.202 1.822 10 0 ADAERN Cc1nccc([C@H](O)C(C)C)n1 124860987 573675251 /nfs/dbraw/zinc/67/52/51/573675251.db2.gz MLLNWRQUULQACV-SECBINFHSA-N 0 0 166.224 1.474 10 0 ADAERN C[C@@H]1CN(C)c2ccc(CO)cc2N1 257846170 573675252 /nfs/dbraw/zinc/67/52/52/573675252.db2.gz AFNQCPKQXVUWRJ-MRVPVSSYSA-N 0 0 192.262 1.429 10 0 ADAERN CCC/C=C/COC(=O)[C@H](C)OC 308414914 573675288 /nfs/dbraw/zinc/67/52/88/573675288.db2.gz QDLGFSXOKXXXNA-UCUJLANTSA-N 0 0 186.251 1.921 10 0 ADAERN COc1ccc2c(c1)CNC(=S)N2 144695873 573675260 /nfs/dbraw/zinc/67/52/60/573675260.db2.gz LHCGUXVKOLHUTJ-UHFFFAOYSA-N 0 0 194.259 1.495 10 0 ADAERN Cc1nccc([C@@H](O)C(C)C)n1 124861223 573675281 /nfs/dbraw/zinc/67/52/81/573675281.db2.gz MLLNWRQUULQACV-VIFPVBQESA-N 0 0 166.224 1.474 10 0 ADAERN C[C@H]1CNC(=O)C=C(Cl)C1 238467672 573675370 /nfs/dbraw/zinc/67/53/70/573675370.db2.gz VFWKMTHDCUADKM-RXMQYKEDSA-N 0 0 159.616 1.265 10 0 ADAERN CC[C@H](OC)[C@@H](O)c1cnsc1 404828577 573675371 /nfs/dbraw/zinc/67/53/71/573675371.db2.gz GZHZPSNGQXWULK-YUMQZZPRSA-N 0 0 187.264 1.602 10 0 ADAERN CCCCCC(=O)[C@@H]1CO1 144624658 573675383 /nfs/dbraw/zinc/67/53/83/573675383.db2.gz PVYYIRUNPBMAIP-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN C[C@@](O)(CO)c1ccccc1N=O 238468622 573675400 /nfs/dbraw/zinc/67/54/00/573675400.db2.gz LAWKZGVLWJHDBW-SECBINFHSA-N 0 0 181.191 1.284 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]2C3CC[NH+](CC3)[C@@H]21 107959017 573675405 /nfs/dbraw/zinc/67/54/05/573675405.db2.gz ITOORWJGORSQNG-AEJSXWLSSA-N 0 0 195.262 1.191 10 0 ADAERN COC(=O)C(C)(C)N(C)c1ccc[nH]1 258870079 573675414 /nfs/dbraw/zinc/67/54/14/573675414.db2.gz UKYUNNVDNOMFGT-UHFFFAOYSA-N 0 0 196.250 1.403 10 0 ADAERN Cc1nc2[nH]c(=O)c1C[C@@H](C)S2 238468500 573675478 /nfs/dbraw/zinc/67/54/78/573675478.db2.gz PCDYNTZIPDDZAS-SCSAIBSYSA-N 0 0 182.248 1.115 10 0 ADAERN Cc1ccc(N(C)C(=O)C(C)(C)O)o1 258859707 573675481 /nfs/dbraw/zinc/67/54/81/573675481.db2.gz FAHQTLVXYKWYSG-UHFFFAOYSA-N 0 0 197.234 1.322 10 0 ADAERN C[C@H]1CNc2cccc(N)c2N1C 257846151 573675482 /nfs/dbraw/zinc/67/54/82/573675482.db2.gz AFGAXHVHORZUJE-ZETCQYMHSA-N 0 0 177.251 1.519 10 0 ADAERN Cc1cc(CNO)cc(O)c1F 258076891 573676300 /nfs/dbraw/zinc/67/63/00/573676300.db2.gz VEJNYHBKGJSUIP-UHFFFAOYSA-N 0 0 171.171 1.319 10 0 ADAERN CCc1nc(CN)oc1C(F)(F)F 257845907 573676320 /nfs/dbraw/zinc/67/63/20/573676320.db2.gz NRFHWCIOTPOVHY-UHFFFAOYSA-N 0 0 194.156 1.715 10 0 ADAERN CONCc1ccc(F)c(O)c1F 258078182 573676330 /nfs/dbraw/zinc/67/63/30/573676330.db2.gz MWYRDZRRNOASKA-UHFFFAOYSA-N 0 0 189.161 1.321 10 0 ADAERN Cc1n[nH]c(C)c1OC1CC1 238468540 573676335 /nfs/dbraw/zinc/67/63/35/573676335.db2.gz WSQYYSPXIHIGLD-UHFFFAOYSA-N 0 0 152.197 1.568 10 0 ADAERN Cc1ccc(-c2c[nH]nc2N)c(O)c1 258078226 573676342 /nfs/dbraw/zinc/67/63/42/573676342.db2.gz MYPHWVPEZAPABO-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN CC(C)C[N@H+](C)CC1(C(=O)[O-])CCC1 258866098 573676360 /nfs/dbraw/zinc/67/63/60/573676360.db2.gz AVZKARIWDQNOAP-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1c2c(nn1C(N)=O)CCC[C@@H]2C 238468214 573676377 /nfs/dbraw/zinc/67/63/77/573676377.db2.gz QYRKSRVBJFJXLY-LURJTMIESA-N 0 0 193.250 1.558 10 0 ADAERN C[C@]1(c2ccccc2)CCO[C@H]1O 238468092 573676385 /nfs/dbraw/zinc/67/63/85/573676385.db2.gz 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178.235 1.785 10 0 ADAERN C[C@]1(c2ccccc2)CCN1C(N)=O 238468001 573677917 /nfs/dbraw/zinc/67/79/17/573677917.db2.gz NRBNZTLAUUTQRQ-LLVKDONJSA-N 0 0 190.246 1.686 10 0 ADAERN Cc1ccnc(C(N)=O)c1C(F)F 238467424 573677932 /nfs/dbraw/zinc/67/79/32/573677932.db2.gz GKPDHWBCXXSVPJ-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN C[C@@H]1C[C@]12CCC[C@@H]2O 238467380 573677937 /nfs/dbraw/zinc/67/79/37/573677937.db2.gz DCYWAJLLBLLOAP-GJMOJQLCSA-N 0 0 126.199 1.557 10 0 ADAERN O[C@@H](CC1CCC1)c1ncccn1 83840615 573677940 /nfs/dbraw/zinc/67/79/40/573677940.db2.gz NCTQWOARIYVFQM-VIFPVBQESA-N 0 0 178.235 1.700 10 0 ADAERN CC(C)[C@H](CCc1ccco1)NN 126763313 573677987 /nfs/dbraw/zinc/67/79/87/573677987.db2.gz RIGFHLUYMHFVJP-JTQLQIEISA-N 0 0 182.267 1.700 10 0 ADAERN COC(=O)/C=C\C[C@@H]1CCCO1 258090554 573678001 /nfs/dbraw/zinc/67/80/01/573678001.db2.gz GMESTFAYORGVDP-IBWXWUTPSA-N 0 0 170.208 1.285 10 0 ADAERN Nc1cncc([C@H]2CCSC2)c1 259551359 573678008 /nfs/dbraw/zinc/67/80/08/573678008.db2.gz COKNXYKWRTYMRU-ZETCQYMHSA-N 0 0 180.276 1.884 10 0 ADAERN Nc1cc(-c2c(O)cccc2O)[nH]n1 258090715 573678024 /nfs/dbraw/zinc/67/80/24/573678024.db2.gz NYBJBZOCRDAZPQ-UHFFFAOYSA-N 0 0 191.190 1.070 10 0 ADAERN CCc1conc1C(C)=O 257846350 573678039 /nfs/dbraw/zinc/67/80/39/573678039.db2.gz QBGHVUYKFXHDNP-UHFFFAOYSA-N 0 0 139.154 1.440 10 0 ADAERN CC(C)[N@H+](C)C[C@@H]1C[C@H]1C(=O)[O-] 258874391 573678502 /nfs/dbraw/zinc/67/85/02/573678502.db2.gz LFJAHCTWQZKWRH-JGVFFNPUSA-N 0 0 171.240 1.047 10 0 ADAERN CSC[C@@H](CO)c1ccc(O)cc1 258079679 573678067 /nfs/dbraw/zinc/67/80/67/573678067.db2.gz CTXMBKUSGTVGQC-SECBINFHSA-N 0 0 198.287 1.831 10 0 ADAERN Nc1c(O)cc2[nH]ccc2c1F 258080474 573678091 /nfs/dbraw/zinc/67/80/91/573678091.db2.gz VOUDSNXWASHNJK-UHFFFAOYSA-N 0 0 166.155 1.595 10 0 ADAERN Cn1ncc(C(=O)CC2CCC2)c1N 83840311 573678104 /nfs/dbraw/zinc/67/81/04/573678104.db2.gz SZJCTTABLGFCFZ-UHFFFAOYSA-N 0 0 193.250 1.375 10 0 ADAERN C[C@]1(c2ccccc2)C[C@@H](O)OC1=O 238468598 573678112 /nfs/dbraw/zinc/67/81/12/573678112.db2.gz ZXOOMNQSHVLREW-GXSJLCMTSA-N 0 0 192.214 1.210 10 0 ADAERN Nc1cncc([C@@H]2CCSC2)c1 259551356 573678127 /nfs/dbraw/zinc/67/81/27/573678127.db2.gz COKNXYKWRTYMRU-SSDOTTSWSA-N 0 0 180.276 1.884 10 0 ADAERN C[C@H]1C[C@H]2NCc3ccccc3N2C1 238467742 573678146 /nfs/dbraw/zinc/67/81/46/573678146.db2.gz GMSKESXCKBITIX-CABZTGNLSA-N 0 0 188.274 1.962 10 0 ADAERN O=C(CC1CCC1)c1ccncn1 83840237 573678163 /nfs/dbraw/zinc/67/81/63/573678163.db2.gz GOXWLSHTPHKYBI-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN COC(=O)/C=C\C[C@H]1CCCO1 258090556 573678166 /nfs/dbraw/zinc/67/81/66/573678166.db2.gz GMESTFAYORGVDP-XVZDEFPZSA-N 0 0 170.208 1.285 10 0 ADAERN Cc1noc2ccc(CCON)cc12 258090653 573678179 /nfs/dbraw/zinc/67/81/79/573678179.db2.gz NXDDMOOBIMNXQN-UHFFFAOYSA-N 0 0 192.218 1.569 10 0 ADAERN CC(=O)O[C@@H]1C=CCC=C[C@@H](O)C1 393547474 573678189 /nfs/dbraw/zinc/67/81/89/573678189.db2.gz OGIXVTJAGKCGOU-NXEZZACHSA-N 0 0 182.219 1.185 10 0 ADAERN Cc1ccccc1N[C@@H](CO)CCO 258876853 573678213 /nfs/dbraw/zinc/67/82/13/573678213.db2.gz DILDYCXKDUEMHW-SNVBAGLBSA-N 0 0 195.262 1.150 10 0 ADAERN Cc1ccc(N(C)c2nnns2)o1 258865716 573678218 /nfs/dbraw/zinc/67/82/18/573678218.db2.gz FUATZEVFDTUYEO-UHFFFAOYSA-N 0 0 196.235 1.602 10 0 ADAERN C[C@H](F)Cn1cc(C=O)cn1 211991037 573678224 /nfs/dbraw/zinc/67/82/24/573678224.db2.gz CHOBBRWYFVGTJF-LURJTMIESA-N 0 0 156.160 1.054 10 0 ADAERN OC1(CCSc2ncccn2)CC1 308412993 573678229 /nfs/dbraw/zinc/67/82/29/573678229.db2.gz PIHYXXHVRCXGHL-UHFFFAOYSA-N 0 0 196.275 1.484 10 0 ADAERN COCc1cccc([C@@H](C)O)c1O 258090926 573678230 /nfs/dbraw/zinc/67/82/30/573678230.db2.gz NZYGWYBUTSXGHO-SSDOTTSWSA-N 0 0 182.219 1.592 10 0 ADAERN Cc1ccc([C@H](C)CO)c2c1OCO2 258090718 573678473 /nfs/dbraw/zinc/67/84/73/573678473.db2.gz NYCXLYRUUXUTKD-MRVPVSSYSA-N 0 0 194.230 1.820 10 0 ADAERN CC(=O)O[C@H]1C=CCC=C[C@H](O)C1 393547476 573678273 /nfs/dbraw/zinc/67/82/73/573678273.db2.gz OGIXVTJAGKCGOU-UWVGGRQHSA-N 0 0 182.219 1.185 10 0 ADAERN C[C@@H]1CNc2cccc(N)c2N1C 257846149 573678283 /nfs/dbraw/zinc/67/82/83/573678283.db2.gz AFGAXHVHORZUJE-SSDOTTSWSA-N 0 0 177.251 1.519 10 0 ADAERN OCCC[C@@H]1C[C@]12CCOC2 211998405 573678301 /nfs/dbraw/zinc/67/83/01/573678301.db2.gz PDKINSALVNCGIH-BDAKNGLRSA-N 0 0 156.225 1.186 10 0 ADAERN COc1cccc2c1OC[C@@H](C)N2 257846291 573678484 /nfs/dbraw/zinc/67/84/84/573678484.db2.gz AIMPBSDWXXQVFV-SSDOTTSWSA-N 0 0 179.219 1.888 10 0 ADAERN COc1cccc(CO)c1NC(C)=O 258090874 573678330 /nfs/dbraw/zinc/67/83/30/573678330.db2.gz NZQJINXXPVQPMQ-UHFFFAOYSA-N 0 0 195.218 1.146 10 0 ADAERN CSC[C@@H](CO)c1ccncc1 258080057 573678348 /nfs/dbraw/zinc/67/83/48/573678348.db2.gz CXQUUWRBGANDNX-SECBINFHSA-N 0 0 183.276 1.521 10 0 ADAERN CC(=O)O[C@@H]1C=CCC=C[C@H](O)C1 393547479 573678393 /nfs/dbraw/zinc/67/83/93/573678393.db2.gz OGIXVTJAGKCGOU-VHSXEESVSA-N 0 0 182.219 1.185 10 0 ADAERN ONCc1ccc2c(c1F)CCO2 258090997 573678398 /nfs/dbraw/zinc/67/83/98/573678398.db2.gz OAQCAMOFONWBRC-UHFFFAOYSA-N 0 0 183.182 1.239 10 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NAZXBGQUPYXQIE-JTQLQIEISA-N 0 0 195.649 1.944 10 0 ADAERN C[C@]1(c2ccccc2)C[C@H](N)C(=O)O1 238468764 573680052 /nfs/dbraw/zinc/68/00/52/573680052.db2.gz PVNSNIRZYSNYRP-GXSJLCMTSA-N 0 0 191.230 1.176 10 0 ADAERN COC(=O)/C=C/N1[C@H](C)CCC[C@H]1C 86897653 573680077 /nfs/dbraw/zinc/68/00/77/573680077.db2.gz ZCQGBFGLBDJCMW-WENXHQBNSA-N 0 0 197.278 1.936 10 0 ADAERN COC(=O)/C=C/N1CCCC[C@H]1C 86897474 573680087 /nfs/dbraw/zinc/68/00/87/573680087.db2.gz NHOXNPIUPPQTFP-BNICOGTQSA-N 0 0 183.251 1.548 10 0 ADAERN C[C@@]1(c2ccccc2)CN=NC(=O)N1 238469031 573680142 /nfs/dbraw/zinc/68/01/42/573680142.db2.gz CXTRBBIVYWLTDT-JTQLQIEISA-N 0 0 189.218 1.200 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)C[C@H]2C 238469168 573680101 /nfs/dbraw/zinc/68/01/01/573680101.db2.gz PDAQHVWZXQOCEM-RXMQYKEDSA-N 0 0 149.193 1.343 10 0 ADAERN N[S@](=O)Cc1cccc(Cl)c1 259548444 573680111 /nfs/dbraw/zinc/68/01/11/573680111.db2.gz CHVWCGOCRPAQSH-LLVKDONJSA-N 0 0 189.667 1.462 10 0 ADAERN C[C@H]1NC(=O)[C@@]1(Cl)c1ccccc1 238469199 573680025 /nfs/dbraw/zinc/68/00/25/573680025.db2.gz GYOYJKLIAIFEAL-XCBNKYQSSA-N 0 0 195.649 1.639 10 0 ADAERN CO[C@@H](C)[C@@H](O)Cc1ccco1 130842231 573680044 /nfs/dbraw/zinc/68/00/44/573680044.db2.gz RVDHZUZLZMIMRN-CBAPKCEASA-N 0 0 170.208 1.218 10 0 ADAERN COC(C)(C)[C@@H](O)Cc1ccoc1 130839489 573680279 /nfs/dbraw/zinc/68/02/79/573680279.db2.gz GRCRMJDASUKTJB-VIFPVBQESA-N 0 0 184.235 1.608 10 0 ADAERN COC(=O)/C=C/N1C[C@@H](C)[C@@H](C)C1 86900116 573680599 /nfs/dbraw/zinc/68/05/99/573680599.db2.gz WFFZDFJIRMFDMX-ZZGNMTITSA-N 0 0 183.251 1.261 10 0 ADAERN CC(C)Cc1nc2ccc(O)cn2n1 258080106 573680179 /nfs/dbraw/zinc/68/01/79/573680179.db2.gz WQQGGYWMWVIUNY-UHFFFAOYSA-N 0 0 191.234 1.633 10 0 ADAERN COC(=O)/C=C/N1CC[C@H](C)C[C@H]1C 86899321 573680203 /nfs/dbraw/zinc/68/02/03/573680203.db2.gz ILWJALMBXUSEAM-IUUOVRRDSA-N 0 0 197.278 1.794 10 0 ADAERN Cc1cc2c(Cl)nnnc2o1 259548146 573680222 /nfs/dbraw/zinc/68/02/22/573680222.db2.gz CFRMWNRRBUVDAD-UHFFFAOYSA-N 0 0 169.571 1.580 10 0 ADAERN 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LFJAHCTWQZKWRH-YUMQZZPRSA-N 0 0 171.240 1.047 10 0 ADAERN CCOC(=O)[C@@H](C)[C@H](O)c1ccco1 238300621 573680426 /nfs/dbraw/zinc/68/04/26/573680426.db2.gz OHXBVOLLJDMFML-CBAPKCEASA-N 0 0 198.218 1.512 10 0 ADAERN CC[N@H+](C)CC[C@@H](C)C(=O)[O-] 258877911 573680433 /nfs/dbraw/zinc/68/04/33/573680433.db2.gz LQIDKWKIRAEWDU-SSDOTTSWSA-N 0 0 159.229 1.049 10 0 ADAERN C[C@]1(CC(N)=O)CCCCC1=O 238468699 573680442 /nfs/dbraw/zinc/68/04/42/573680442.db2.gz NZGUABWGUUWVAT-SECBINFHSA-N 0 0 169.224 1.011 10 0 ADAERN CC[C@@H]1C[C@H]1CN=[S@](C)(N)=O 404865685 573680450 /nfs/dbraw/zinc/68/04/50/573680450.db2.gz ZRCNABQEQBGEGI-BUYFANAVSA-N 0 0 176.285 1.004 10 0 ADAERN OCC1(CNc2cccs2)CC1 258876655 573680458 /nfs/dbraw/zinc/68/04/58/573680458.db2.gz IMQMHJWUIORVRB-UHFFFAOYSA-N 0 0 183.276 1.933 10 0 ADAERN CC(C)C[N@H+](C)C[C@H]1C[C@H]1C(=O)[O-] 258878073 573680478 /nfs/dbraw/zinc/68/04/78/573680478.db2.gz LSRKZMFRUBOHOT-RKDXNWHRSA-N 0 0 185.267 1.295 10 0 ADAERN CCONCC1CCC1 83838877 573680484 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ZTXXCAJVMBGLGL-WVXIBAHESA-N 0 0 169.224 1.157 10 0 ADAERN Oc1cccc2c1[C@@H](F)CN2 258510822 573684492 /nfs/dbraw/zinc/68/44/92/573684492.db2.gz LGRSCIGDEPXKTM-YFKPBYRVSA-N 0 0 153.156 1.828 10 0 ADAERN C/C=C(/Cl)[C@@H](C)O 237986638 573684501 /nfs/dbraw/zinc/68/45/01/573684501.db2.gz ZSTFCHYEJINSQB-OFWOHVDASA-N 0 0 120.579 1.510 10 0 ADAERN O[C@H](CC1CCC1)[C@@H]1CCCO1 83840881 573684503 /nfs/dbraw/zinc/68/45/03/573684503.db2.gz OPIDXHHRDPXLNU-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN O=C(OC[C@@H]1CCCOC1)C(F)F 308415932 573684538 /nfs/dbraw/zinc/68/45/38/573684538.db2.gz QTIWCSCYKPMHDV-ZCFIWIBFSA-N 0 0 194.177 1.221 10 0 ADAERN CC1(C)Oc2cccc(O)c2NC1=O 257847205 573684567 /nfs/dbraw/zinc/68/45/67/573684567.db2.gz AMTBYCITKMPMFL-UHFFFAOYSA-N 0 0 193.202 1.502 10 0 ADAERN Cc1cc(N(C)CCO)ccc1F 259160148 573684576 /nfs/dbraw/zinc/68/45/76/573684576.db2.gz YBGGOVGMQYYNSI-UHFFFAOYSA-N 0 0 183.226 1.563 10 0 ADAERN CO[C@@H](C)[C@H](O)Cc1ccoc1 130840988 573684604 /nfs/dbraw/zinc/68/46/04/573684604.db2.gz JCHJTUKCRNVNIE-IONNQARKSA-N 0 0 170.208 1.218 10 0 ADAERN O[C@H](CC1CCC1)[C@@H]1CCOC1 83840885 573684612 /nfs/dbraw/zinc/68/46/12/573684612.db2.gz TWFMGSWYMQGAAH-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1occc1/C=C\[C@@H](C)O 321070217 573684614 /nfs/dbraw/zinc/68/46/14/573684614.db2.gz NOZXDRQVYMNXNM-KFOINNEUSA-N 0 0 152.193 1.982 10 0 ADAERN CC(=O)[C@H](C)[C@@H](C)n1ccnn1 238476338 573684624 /nfs/dbraw/zinc/68/46/24/573684624.db2.gz QFMGBBYVKQZFQH-RNFRBKRXSA-N 0 0 167.212 1.064 10 0 ADAERN NOCc1cccc2ocnc12 258093261 573684628 /nfs/dbraw/zinc/68/46/28/573684628.db2.gz WZQRVAHBOPEPJD-UHFFFAOYSA-N 0 0 164.164 1.218 10 0 ADAERN Cc1cc(=O)c(N)c(Cl)[nH]1 238470873 573684630 /nfs/dbraw/zinc/68/46/30/573684630.db2.gz FMGJOCXVDFUBFD-UHFFFAOYSA-N 0 0 158.588 1.331 10 0 ADAERN CCCCCc1noc([C@H](C)N)n1 308673378 573684637 /nfs/dbraw/zinc/68/46/37/573684637.db2.gz VOIMEXHIZVNMRZ-ZETCQYMHSA-N 0 0 183.255 1.822 10 0 ADAERN CC(=O)N[C@H]1CC=CC[C@@H]1C 238470013 573684639 /nfs/dbraw/zinc/68/46/39/573684639.db2.gz CJATWUBHRWHIOC-CBAPKCEASA-N 0 0 153.225 1.477 10 0 ADAERN C[C@@H](CC12CC(CO1)C2)[C@@H](C)O 716088336 573684655 /nfs/dbraw/zinc/68/46/55/573684655.db2.gz BAJJMUIJQQARAN-AFWXGSBKSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@H](O)c1cnn(CC2CCC2)c1 83842007 573684656 /nfs/dbraw/zinc/68/46/56/573684656.db2.gz DLIZGFGSMGFJKY-QMMMGPOBSA-N 0 0 180.251 1.737 10 0 ADAERN Cc1nccc([C@@H](O)c2ccoc2)n1 124875536 573684658 /nfs/dbraw/zinc/68/46/58/573684658.db2.gz QBTPDMJORJMYFC-JTQLQIEISA-N 0 0 190.202 1.460 10 0 ADAERN CC[C@]1(COC)CC[C@@](C)(CO)O1 393588682 573684682 /nfs/dbraw/zinc/68/46/82/573684682.db2.gz HOKDBDSDKUDNNP-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CC(=O)c1csc(CCCO)n1 258092438 573684690 /nfs/dbraw/zinc/68/46/90/573684690.db2.gz NBGQVCGFWVNKOE-UHFFFAOYSA-N 0 0 185.248 1.271 10 0 ADAERN CC(C)n1cc(C(C)(C)O)cn1 259617561 573684710 /nfs/dbraw/zinc/68/47/10/573684710.db2.gz FAWVKNNKPBMALP-UHFFFAOYSA-N 0 0 168.240 1.691 10 0 ADAERN CC(C)OC(=O)c1cccc(N)n1 122006111 573684714 /nfs/dbraw/zinc/68/47/14/573684714.db2.gz QNIJLFUJXRQFTM-UHFFFAOYSA-N 0 0 180.207 1.229 10 0 ADAERN C/C=C\CCNC(=O)[C@@H](C)OCC 308415645 573684725 /nfs/dbraw/zinc/68/47/25/573684725.db2.gz NBTHWFMVFMFTCI-XTULLQBASA-N 0 0 185.267 1.494 10 0 ADAERN CO[C@@H](C)CC(=O)OC1CC(C)C1 308415755 573684730 /nfs/dbraw/zinc/68/47/30/573684730.db2.gz NCSZPMAVQYIFRR-MGURRDGZSA-N 0 0 186.251 1.753 10 0 ADAERN CCOC(=O)C(=O)Nc1cccs1 258882537 573684736 /nfs/dbraw/zinc/68/47/36/573684736.db2.gz SFKKUHJBOXUSJS-UHFFFAOYSA-N 0 0 199.231 1.250 10 0 ADAERN Cc1cc(=O)cc(C)n1[C@@H](C)CO 86895574 573684752 /nfs/dbraw/zinc/68/47/52/573684752.db2.gz IANNMHWVODJVEV-VIFPVBQESA-N 0 0 181.235 1.018 10 0 ADAERN CCOC(=O)C[C@@H](C)OCC 14444648 573684760 /nfs/dbraw/zinc/68/47/60/573684760.db2.gz AVVCQNALUKIMSP-SSDOTTSWSA-N 0 0 160.213 1.365 10 0 ADAERN COC(=O)/C=C/N1C[C@@H](C)CC[C@@H]1C 86899972 573684766 /nfs/dbraw/zinc/68/47/66/573684766.db2.gz DNZSPRFEAJATTQ-CAFLDADYSA-N 0 0 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/nfs/dbraw/zinc/68/49/20/573684920.db2.gz UUBMYDWNPVIVTF-UHFFFAOYSA-N 0 0 189.218 1.984 10 0 ADAERN OC1CCC(NN2CCCCC2)CC1 236468299 573684921 /nfs/dbraw/zinc/68/49/21/573684921.db2.gz BSJRQCYGIPHQIY-UHFFFAOYSA-N 0 0 198.310 1.280 10 0 ADAERN C[C@H](O)[C@@H]1Nc2ccc(N)cc2[C@@H]1C 238478059 573684926 /nfs/dbraw/zinc/68/49/26/573684926.db2.gz MKYLOIVECOFLKB-OKTBNZSVSA-N 0 0 192.262 1.547 10 0 ADAERN C[C@@H](O)[C@H](C)CC12CC(CO1)C2 716088338 573684933 /nfs/dbraw/zinc/68/49/33/573684933.db2.gz BAJJMUIJQQARAN-LGUIWLBCSA-N 0 0 170.252 1.572 10 0 ADAERN O=C(C[C@H]1C=CCC1)OC1COC1 308420691 573684934 /nfs/dbraw/zinc/68/49/34/573684934.db2.gz SQNLPMDASRGKQD-QMMMGPOBSA-N 0 0 182.219 1.285 10 0 ADAERN COC(=O)[C@H](C)N[C@@H]1[C@H]2CCCC[C@H]21 308669659 573684944 /nfs/dbraw/zinc/68/49/44/573684944.db2.gz UTHNZIHKROKPQR-AXTSPUMRSA-N 0 0 197.278 1.326 10 0 ADAERN Cc1cc(C2(CO)COC2)ccc1F 259170091 573684952 /nfs/dbraw/zinc/68/49/52/573684952.db2.gz LOHZKUDLAMQUIW-UHFFFAOYSA-N 0 0 196.221 1.394 10 0 ADAERN COC(C)(C)[C@@H](O)Cc1ccco1 130839957 573684969 /nfs/dbraw/zinc/68/49/69/573684969.db2.gz PHCDMWXHGKQYBH-VIFPVBQESA-N 0 0 184.235 1.608 10 0 ADAERN COc1ccc2nc(C(C)=O)[nH]c2n1 83852440 573684984 /nfs/dbraw/zinc/68/49/84/573684984.db2.gz OIJWHXMYLURLBS-UHFFFAOYSA-N 0 0 191.190 1.169 10 0 ADAERN COC(=O)/C=C/N1CCC[C@H](C)[C@H]1C 86899291 573685007 /nfs/dbraw/zinc/68/50/07/573685007.db2.gz FISIJUJSHKVEIS-JSJQHLISSA-N 0 0 197.278 1.794 10 0 ADAERN C1=C[C@H]2CC(=C1)N1C=CC=CN21 39134055 573685008 /nfs/dbraw/zinc/68/50/08/573685008.db2.gz QCEHLJOGHAARFA-VIFPVBQESA-N 0 0 158.204 1.772 10 0 ADAERN CCCc1cn2ccc(=O)cc2[nH]1 258092888 573685349 /nfs/dbraw/zinc/68/53/49/573685349.db2.gz WUDPAYPTXVRVAT-UHFFFAOYSA-N 0 0 176.219 1.992 10 0 ADAERN CCCNc1cncc(N)c1 122054805 573685029 /nfs/dbraw/zinc/68/50/29/573685029.db2.gz SBXSMYNKSXJPIX-UHFFFAOYSA-N 0 0 151.213 1.486 10 0 ADAERN CCN1C(=O)CN[C@@H]1c1ccsc1 108122555 573685041 /nfs/dbraw/zinc/68/50/41/573685041.db2.gz JZALBAISJSVSAV-VIFPVBQESA-N 0 0 196.275 1.198 10 0 ADAERN CC/C=C\C(=O)N1CCC[C@H]1C 308420755 573685056 /nfs/dbraw/zinc/68/50/56/573685056.db2.gz SUVAJITXHVJFLV-WQAKUFEDSA-N 0 0 167.252 1.964 10 0 ADAERN Cc1cc(O)c(N)c(Cl)c1O 238470852 573685076 /nfs/dbraw/zinc/68/50/76/573685076.db2.gz GDSZCECCIHDKPO-UHFFFAOYSA-N 0 0 173.599 1.642 10 0 ADAERN CNc1cncc(N(C)C(C)C)c1 122046222 573685078 /nfs/dbraw/zinc/68/50/78/573685078.db2.gz IZGLNBOJGPAYAM-UHFFFAOYSA-N 0 0 179.267 1.968 10 0 ADAERN Nc1cccc(C(=O)OC2CCC2)n1 122021042 573685092 /nfs/dbraw/zinc/68/50/92/573685092.db2.gz AVCGJFZTSQUVDI-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN COC(=O)/C=C/N1C[C@H](C)[C@@H](C)C1 86900119 573685096 /nfs/dbraw/zinc/68/50/96/573685096.db2.gz WFFZDFJIRMFDMX-HXQNXIEXSA-N 0 0 183.251 1.261 10 0 ADAERN CC(C)Nc1cncc(N)c1 122055501 573685102 /nfs/dbraw/zinc/68/51/02/573685102.db2.gz QHSUYPUKBYJZQL-UHFFFAOYSA-N 0 0 151.213 1.484 10 0 ADAERN C[C@]1(c2ccccn2)NCCS1 238470637 573685106 /nfs/dbraw/zinc/68/51/06/573685106.db2.gz VNABFZNDBJZNIG-VIFPVBQESA-N 0 0 180.276 1.591 10 0 ADAERN CN(C)c1nc2c(N)cccc2o1 86895934 573685139 /nfs/dbraw/zinc/68/51/39/573685139.db2.gz FTZQGGVZZSFHBC-UHFFFAOYSA-N 0 0 177.207 1.476 10 0 ADAERN Cn1nc(Cc2ccco2)cc1CO 259158497 573685112 /nfs/dbraw/zinc/68/51/12/573685112.db2.gz IIYLZJREOIRNAJ-UHFFFAOYSA-N 0 0 192.218 1.096 10 0 ADAERN NN[C@@H]1CCOC2(CCCCC2)C1 86900698 573685125 /nfs/dbraw/zinc/68/51/25/573685125.db2.gz CITAZQCOZGEHJX-SECBINFHSA-N 0 0 184.283 1.332 10 0 ADAERN CC/C=C\C(=O)N1CCC[C@@H]1C 308420756 573685133 /nfs/dbraw/zinc/68/51/33/573685133.db2.gz SUVAJITXHVJFLV-WYDVEAGSSA-N 0 0 167.252 1.964 10 0 ADAERN COC(=O)/C=C/N1CC[C@H](C)C1 86898174 573685144 /nfs/dbraw/zinc/68/51/44/573685144.db2.gz GHQHHOLNSHXRPH-JQTRYQTASA-N 0 0 169.224 1.015 10 0 ADAERN CC[C@@H](CON)CC(F)F 688750071 573685165 /nfs/dbraw/zinc/68/51/65/573685165.db2.gz PJKIBOJPTBOHDG-RXMQYKEDSA-N 0 0 153.172 1.558 10 0 ADAERN COc1ccc(/C=C\CO)c(OC)c1 211961184 573685175 /nfs/dbraw/zinc/68/51/75/573685175.db2.gz LDHOYRRZKJKQBY-ARJAWSKDSA-N 0 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Cc1c(O)ccc([C@H](C)CO)c1O 258085611 573689961 /nfs/dbraw/zinc/68/99/61/573689961.db2.gz NOGQUFPLDZQXBD-ZCFIWIBFSA-N 0 0 182.219 1.502 10 0 ADAERN CCCc1cnnc(C(C)=O)n1 258510909 573689963 /nfs/dbraw/zinc/68/99/63/573689963.db2.gz LILBWEPRNZNKHZ-UHFFFAOYSA-N 0 0 165.196 1.027 10 0 ADAERN Cc1ccc(C2C[NH2+]C2)c(C(=O)[O-])c1 238478736 573689971 /nfs/dbraw/zinc/68/99/71/573689971.db2.gz ITBALEDJDPIPMD-UHFFFAOYSA-N 0 0 191.230 1.380 10 0 ADAERN OC[C@H]1C=CCC=CCC1 393549449 573689972 /nfs/dbraw/zinc/68/99/72/573689972.db2.gz RCXBNIIMECZQMX-SECBINFHSA-N 0 0 138.210 1.891 10 0 ADAERN CC(C)(CO)Nc1ccc[nH]1 258883913 573689979 /nfs/dbraw/zinc/68/99/79/573689979.db2.gz QMVKUYULMDKOOW-UHFFFAOYSA-N 0 0 154.213 1.198 10 0 ADAERN Cc1ccc([C@@H]([NH3+])[C@@H](F)C(=O)[O-])cc1 238479541 573689982 /nfs/dbraw/zinc/68/99/82/573689982.db2.gz ULLIRHJYRYVMLF-RKDXNWHRSA-N 0 0 197.209 1.418 10 0 ADAERN CON(C)Cc1ncc(C(C)C)o1 308421050 573689988 /nfs/dbraw/zinc/68/99/88/573689988.db2.gz OSPQISADLWSLCO-UHFFFAOYSA-N 0 0 184.239 1.791 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@H]1C 215629989 573690011 /nfs/dbraw/zinc/69/00/11/573690011.db2.gz BGHQRKUUMDJGPV-JGAIRUGNSA-N 0 0 183.251 1.502 10 0 ADAERN CON[C@@H]1CCOC2(CCCC2)C1 86903267 573690015 /nfs/dbraw/zinc/69/00/15/573690015.db2.gz QRPUZBMTULNBNL-SECBINFHSA-N 0 0 185.267 1.629 10 0 ADAERN NC1(c2nc([C@H]3CCOC3)co2)CC1 257847275 573690059 /nfs/dbraw/zinc/69/00/59/573690059.db2.gz NYXLKCAGDRHBHF-ZETCQYMHSA-N 0 0 194.234 1.126 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)cc(O)c2[C@@H](C)O1 238479449 573690071 /nfs/dbraw/zinc/69/00/71/573690071.db2.gz DUGOKSLCTRHAMU-NTSWFWBYSA-N 0 0 195.218 1.103 10 0 ADAERN Cc1coc(C[C@H](C)CO)c1 716105495 573690079 /nfs/dbraw/zinc/69/00/79/573690079.db2.gz QHVGUCVBISLFCZ-ZETCQYMHSA-N 0 0 154.209 1.759 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)c1[nH]cc(C)c1C 689889685 573690091 /nfs/dbraw/zinc/69/00/91/573690091.db2.gz RIRXWWDEWNASAE-BDAKNGLRSA-N 0 0 193.246 1.849 10 0 ADAERN COn1cc(O)c2ccccc21 223246022 573690112 /nfs/dbraw/zinc/69/01/12/573690112.db2.gz BQEQNHCDXOXLCL-UHFFFAOYSA-N 0 0 163.176 1.405 10 0 ADAERN Cc1ccccc1Nc1cc(=O)[nH][nH]1 238478658 573690113 /nfs/dbraw/zinc/69/01/13/573690113.db2.gz RWNBDZVOEGSRGV-UHFFFAOYSA-N 0 0 189.218 1.240 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)[C@@H]2C[C@H]2C)C1 308422262 573690136 /nfs/dbraw/zinc/69/01/36/573690136.db2.gz PBJABYUSJQCUDS-LURQLKTLSA-N 0 0 184.235 1.363 10 0 ADAERN C[C@H](O)[C@@](C)(F)C(C)(F)F 238478801 573690137 /nfs/dbraw/zinc/69/01/37/573690137.db2.gz MNPJXNLNCKVDPO-CRCLSJGQSA-N 0 0 156.147 1.751 10 0 ADAERN C[C@@]1(CCCCO)OCCCC1=O 393550886 573690142 /nfs/dbraw/zinc/69/01/42/573690142.db2.gz XYUDBZMBUWIYNO-JTQLQIEISA-N 0 0 186.251 1.287 10 0 ADAERN Cc1nccc([C@@H](O)C(C)(C)C)n1 124880099 573690145 /nfs/dbraw/zinc/69/01/45/573690145.db2.gz LQDFWSVYLOVLKO-SECBINFHSA-N 0 0 180.251 1.865 10 0 ADAERN O=C(OCC1CC1)[C@@H]1CCC[C@@H]1O 308416801 573690152 /nfs/dbraw/zinc/69/01/52/573690152.db2.gz RAVXNJMLWBAZQD-BDAKNGLRSA-N 0 0 184.235 1.101 10 0 ADAERN 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573690412 /nfs/dbraw/zinc/69/04/12/573690412.db2.gz NGVXEIPPAXWREP-HTRCEHHLSA-N 0 0 196.250 1.854 10 0 ADAERN CS[C@@H](C)CNCC(F)F 122075273 573690501 /nfs/dbraw/zinc/69/05/01/573690501.db2.gz BFXXSBHLLSUIRH-YFKPBYRVSA-N 0 0 169.240 1.593 10 0 ADAERN C=Cc1nccnc1Br 237978903 573690437 /nfs/dbraw/zinc/69/04/37/573690437.db2.gz PQYKPCVNKUDOPY-UHFFFAOYSA-N 0 0 185.024 1.882 10 0 ADAERN CC(C)(C)C(F)(F)CON 259165700 573690504 /nfs/dbraw/zinc/69/05/04/573690504.db2.gz HPMIZRCXFSJELV-UHFFFAOYSA-N 0 0 153.172 1.558 10 0 ADAERN C/C=C(/C)[C@@H](C)[C@H](C)C(N)=O 237978131 573690485 /nfs/dbraw/zinc/69/04/85/573690485.db2.gz OJTUFWZHBAYQKX-BWNLKHSUSA-N 0 0 155.241 1.710 10 0 ADAERN C[C@@H]1NC(=O)[C@]1(Cl)c1ccccc1 238478706 573690451 /nfs/dbraw/zinc/69/04/51/573690451.db2.gz GYOYJKLIAIFEAL-OIBJUYFYSA-N 0 0 195.649 1.639 10 0 ADAERN CC(C)[C@H](CO)CNc1cccnc1 258880886 573690477 /nfs/dbraw/zinc/69/04/77/573690477.db2.gz CDDMOZKUGPEQEL-JTQLQIEISA-N 0 0 194.278 1.758 10 0 ADAERN 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YTHKROCDNQORMO-IUCAKERBSA-N 0 0 174.288 1.147 10 0 ADAERN CC[C@@H](C)C[C@@H](C)NC#N 83864980 573691229 /nfs/dbraw/zinc/69/12/29/573691229.db2.gz DHLZZEKSUSBLGG-HTQZYQBOSA-N 0 0 140.230 1.882 10 0 ADAERN CC(C)(N)S(=O)(=O)C1CCCC1 259162526 573691231 /nfs/dbraw/zinc/69/12/31/573691231.db2.gz GVRNXXZCILPJNA-UHFFFAOYSA-N 0 0 191.296 1.039 10 0 ADAERN C[C@H](O)[C@@]1(C)CCCC1=O 238479810 573691287 /nfs/dbraw/zinc/69/12/87/573691287.db2.gz VIOKPHWGSVYQAK-POYBYMJQSA-N 0 0 142.198 1.127 10 0 ADAERN CN1CCCNc2cccc(N)c21 259161978 573691291 /nfs/dbraw/zinc/69/12/91/573691291.db2.gz IMSCLEXQUVLCLK-UHFFFAOYSA-N 0 0 177.251 1.521 10 0 ADAERN CCC[C@@H]1CCN(C(=O)NOC)C1 308418431 573691297 /nfs/dbraw/zinc/69/12/97/573691297.db2.gz NVCICUCDRWMORU-MRVPVSSYSA-N 0 0 186.255 1.379 10 0 ADAERN CC1CCN(c2ncncc2N)CC1 86918864 573691339 /nfs/dbraw/zinc/69/13/39/573691339.db2.gz YVBRTLBIQFZLNZ-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN Cc1ccc(C2OCCO2)c(C=O)c1 238479864 573691343 /nfs/dbraw/zinc/69/13/43/573691343.db2.gz YGKHBJLSPSVCCE-UHFFFAOYSA-N 0 0 192.214 1.853 10 0 ADAERN C[C@@H]1CC=C([C@@](C)(O)CO)CC1 238479934 573691352 /nfs/dbraw/zinc/69/13/52/573691352.db2.gz CFOYGOBXDWKNRI-SCZZXKLOSA-N 0 0 170.252 1.476 10 0 ADAERN C=C=C(/C=C/C)[C@@H](C)O 237992136 573691358 /nfs/dbraw/zinc/69/13/58/573691358.db2.gz BURVHDYAJPVNQA-PTYLAXBQSA-N 0 0 124.183 1.655 10 0 ADAERN Oc1ccc2c(c1)CC[C@@H](O)C21CC1 259162280 573691361 /nfs/dbraw/zinc/69/13/61/573691361.db2.gz HMBFVJDTKIUSFI-LLVKDONJSA-N 0 0 190.242 1.731 10 0 ADAERN CN[C@@H](C(C)=O)c1cc(F)ccc1F 259161490 573691373 /nfs/dbraw/zinc/69/13/73/573691373.db2.gz CWUCAYNMZPLHGL-JTQLQIEISA-N 0 0 199.200 1.814 10 0 ADAERN C/C=C/C(=O)N(C)[C@H](C)CC 83860786 573691396 /nfs/dbraw/zinc/69/13/96/573691396.db2.gz LSFXSARKSJMPQM-WVXIBAHESA-N 0 0 155.241 1.819 10 0 ADAERN CC(C)CC[C@@H](O)c1cnn(C)n1 393549929 573691751 /nfs/dbraw/zinc/69/17/51/573691751.db2.gz VPBKOTSOTLNYJK-SECBINFHSA-N 0 0 183.255 1.285 10 0 ADAERN CCn1nc(CO)c2c1CC[C@@]2(C)F 257850909 573691413 /nfs/dbraw/zinc/69/14/13/573691413.db2.gz MRJIQYPILQHTBC-SNVBAGLBSA-N 0 0 198.241 1.526 10 0 ADAERN CC[C@]1(C)C[C@@H]1C(=O)N[C@H](C)CF 308419164 573691437 /nfs/dbraw/zinc/69/14/37/573691437.db2.gz OFRZLMJGGMCGLX-NQMVMOMDSA-N 0 0 187.258 1.897 10 0 ADAERN CCC[C@](C)(O)[C@H]1CCCOC1 224977431 573691445 /nfs/dbraw/zinc/69/14/45/573691445.db2.gz HKWRQWXJMHPHMZ-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@H](C)Nc1cncc(N)c1 122071399 573691474 /nfs/dbraw/zinc/69/14/74/573691474.db2.gz KBNNDTRWVROUAF-ZETCQYMHSA-N 0 0 181.239 1.111 10 0 ADAERN Cc1nccc(-c2noc(Cl)n2)n1 124887865 573691477 /nfs/dbraw/zinc/69/14/77/573691477.db2.gz OAVZJSNHGXMCQV-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN CCC[C@@](C)(O)[C@H]1CCCOC1 224977400 573691485 /nfs/dbraw/zinc/69/14/85/573691485.db2.gz HKWRQWXJMHPHMZ-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)[C@@H](CO)CNc1cccnc1 258880891 573691526 /nfs/dbraw/zinc/69/15/26/573691526.db2.gz CDDMOZKUGPEQEL-SNVBAGLBSA-N 0 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RQFWGOFFZFTYQJ-ZETCQYMHSA-N 0 0 184.210 1.930 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CC[C@H](C)C1 215640001 573691575 /nfs/dbraw/zinc/69/15/75/573691575.db2.gz DQAAZYYKIHZOGX-HXOPTJOXSA-N 0 0 183.251 1.359 10 0 ADAERN CC[C@H](O)C(=O)NCCC(C)(C)C 308418605 573691581 /nfs/dbraw/zinc/69/15/81/573691581.db2.gz NXXFEGPCGIXXBV-QMMMGPOBSA-N 0 0 187.283 1.310 10 0 ADAERN O=C(CO)O[C@H]1C=CCCCCC1 308418114 573691598 /nfs/dbraw/zinc/69/15/98/573691598.db2.gz RNAPUIYBEMDJIW-VIFPVBQESA-N 0 0 184.235 1.411 10 0 ADAERN CC[C@H](C)C[C@@H](C)NC(N)=S 83865471 573691602 /nfs/dbraw/zinc/69/16/02/573691602.db2.gz FSAPAFJHPQAWAN-NKWVEPMBSA-N 0 0 174.313 1.644 10 0 ADAERN COc1cc(O)c(F)c(C=O)c1F 258093682 573691606 /nfs/dbraw/zinc/69/16/06/573691606.db2.gz XAVPVGRCXUYNSK-UHFFFAOYSA-N 0 0 188.129 1.492 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@H]1C[C@@H](O)CCO1 714727827 573691624 /nfs/dbraw/zinc/69/16/24/573691624.db2.gz ZRSAYPQXANQRDC-RGOKHQFPSA-N 0 0 170.252 1.572 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@@H](C)C1 215639334 573691626 /nfs/dbraw/zinc/69/16/26/573691626.db2.gz XSVMNXBXCIYSOE-WPVMNKCKSA-N 0 0 197.278 1.749 10 0 ADAERN c1cc(-c2cnoc2)n[nH]1 198499994 573691630 /nfs/dbraw/zinc/69/16/30/573691630.db2.gz MSFNCTAVFQXNKF-UHFFFAOYSA-N 0 0 135.126 1.065 10 0 ADAERN C[C@H](O)[C@]1(C)C=CCC1 238479765 573691642 /nfs/dbraw/zinc/69/16/42/573691642.db2.gz NAPXSQJEKIHFPI-JGVFFNPUSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H]1CCCN1c1ncncc1N 86919705 573691646 /nfs/dbraw/zinc/69/16/46/573691646.db2.gz FIYSOMDLXKSPQF-ZETCQYMHSA-N 0 0 178.239 1.048 10 0 ADAERN CC(C)[C@H](CCc1ccccn1)NN 126803749 573691657 /nfs/dbraw/zinc/69/16/57/573691657.db2.gz PIUCFASOLWNCDG-NSHDSACASA-N 0 0 193.294 1.502 10 0 ADAERN COc1cnccc1[C@H](NN)C(C)C 126832453 573691669 /nfs/dbraw/zinc/69/16/69/573691669.db2.gz WXEKFDDHUBAZPG-SNVBAGLBSA-N 0 0 195.266 1.251 10 0 ADAERN CCCC[C@@H](C)[C@@H](O)c1ncn(C)n1 714728050 573691675 /nfs/dbraw/zinc/69/16/75/573691675.db2.gz XLTNOBSEYYEIRH-RKDXNWHRSA-N 0 0 197.282 1.675 10 0 ADAERN OCCCC1(c2ccco2)COC1 258883148 573691687 /nfs/dbraw/zinc/69/16/87/573691687.db2.gz STTWVNONUYMIIA-UHFFFAOYSA-N 0 0 182.219 1.320 10 0 ADAERN CC(C)[C@H](C)N(C)c1ncncc1N 86919575 573691696 /nfs/dbraw/zinc/69/16/96/573691696.db2.gz WQGJSTZDSWNCGO-QMMMGPOBSA-N 0 0 194.282 1.540 10 0 ADAERN CNc1cncc(N[C@@H](C)COC)c1 122071781 573691733 /nfs/dbraw/zinc/69/17/33/573691733.db2.gz JDTCYKAKBOKLDX-QMMMGPOBSA-N 0 0 195.266 1.570 10 0 ADAERN CC(C)(C)C(C)(C)C[NH2+]CC(=O)[O-] 258880813 573691716 /nfs/dbraw/zinc/69/17/16/573691716.db2.gz BRJBHVBFNFJWJY-UHFFFAOYSA-N 0 0 187.283 1.733 10 0 ADAERN CC[C@H](C)CNc1ncncc1N 86920594 573691727 /nfs/dbraw/zinc/69/17/27/573691727.db2.gz LRMJVCYLCLBRDL-ZETCQYMHSA-N 0 0 180.255 1.517 10 0 ADAERN CCCc1c(C(=O)OC)cnn1C 308418473 573691728 /nfs/dbraw/zinc/69/17/28/573691728.db2.gz NVOVOPUBMHPUDK-UHFFFAOYSA-N 0 0 182.223 1.159 10 0 ADAERN OC1CCC(NCC(F)(F)F)CC1 236489141 573692801 /nfs/dbraw/zinc/69/28/01/573692801.db2.gz ABRGFTXCTPBOBH-UHFFFAOYSA-N 0 0 197.200 1.442 10 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PIUCFASOLWNCDG-LLVKDONJSA-N 0 0 193.294 1.502 10 0 ADAERN CCCC[C@@H](C)[C@H](O)c1ncn(C)n1 714728044 573692521 /nfs/dbraw/zinc/69/25/21/573692521.db2.gz XLTNOBSEYYEIRH-BDAKNGLRSA-N 0 0 197.282 1.675 10 0 ADAERN CC1(C)CCCN1c1ncncc1N 86920684 573692533 /nfs/dbraw/zinc/69/25/33/573692533.db2.gz PAONHKMAXRLTAL-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN CC(C)(C)CNc1ncncc1N 86919723 573692582 /nfs/dbraw/zinc/69/25/82/573692582.db2.gz DDAKFBANOYOZKU-UHFFFAOYSA-N 0 0 180.255 1.517 10 0 ADAERN CC(C)c1cn(C)nc1C=O 257851243 573692948 /nfs/dbraw/zinc/69/29/48/573692948.db2.gz RWGJYBAKAVPKPS-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN CCO[C@@H](C)OCCCCCO 238306416 573692610 /nfs/dbraw/zinc/69/26/10/573692610.db2.gz RTGAUEVEQJVFGM-SECBINFHSA-N 0 0 176.256 1.548 10 0 ADAERN COc1cc(C)c(OC)c(CNO)c1 258085587 573692632 /nfs/dbraw/zinc/69/26/32/573692632.db2.gz NNOLUZLISMFPJF-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN OCCc1nc([C@@H]2CCOC2)cs1 258093834 573692639 /nfs/dbraw/zinc/69/26/39/573692639.db2.gz NHPRQNAGSKGOPM-SSDOTTSWSA-N 0 0 199.275 1.182 10 0 ADAERN C[C@H](O)[C@@]1(C)CCC(C)(C)C1=O 238479713 573692650 /nfs/dbraw/zinc/69/26/50/573692650.db2.gz PLBBZQUNIJAPSI-OIBJUYFYSA-N 0 0 170.252 1.763 10 0 ADAERN CCCOC[C@@H](O)Cc1ccoc1 130734273 573692673 /nfs/dbraw/zinc/69/26/73/573692673.db2.gz OUIKLEGCSQPJOT-JTQLQIEISA-N 0 0 184.235 1.610 10 0 ADAERN C/C(=C/C(=O)[O-])C[N@H+]1CCC[C@H](C)C1 215639388 573692684 /nfs/dbraw/zinc/69/26/84/573692684.db2.gz XSVMNXBXCIYSOE-LKJZUNMESA-N 0 0 197.278 1.749 10 0 ADAERN OCc1ccnc(OCC(F)F)c1 130728367 573692690 /nfs/dbraw/zinc/69/26/90/573692690.db2.gz ATEBXQDYSYFYJA-UHFFFAOYSA-N 0 0 189.161 1.218 10 0 ADAERN C[C@H](O)[C@@]1(C)CC[C@@H]1C(C)(C)O 238479908 573692693 /nfs/dbraw/zinc/69/26/93/573692693.db2.gz XUADIWMICTXKRX-QXFUBDJGSA-N 0 0 172.268 1.554 10 0 ADAERN C[C@H]1Nc2c(F)cccc2OC1=O 259161918 573692705 /nfs/dbraw/zinc/69/27/05/573692705.db2.gz ILQWLIBCVIAHBU-RXMQYKEDSA-N 0 0 181.166 1.545 10 0 ADAERN CC[C@@H](C)N(C)c1ncncc1N 86919358 573692715 /nfs/dbraw/zinc/69/27/15/573692715.db2.gz ZBZJFQDBYJYIDG-SSDOTTSWSA-N 0 0 180.255 1.294 10 0 ADAERN CC[C@H](O)CC[C@H](CC)OC(C)=O 238307283 573692720 /nfs/dbraw/zinc/69/27/20/573692720.db2.gz BDMDDTQHKIUBTK-UWVGGRQHSA-N 0 0 188.267 1.879 10 0 ADAERN C[C@@H]1CCCN(c2ncncc2N)C1 86918895 573692722 /nfs/dbraw/zinc/69/27/22/573692722.db2.gz LNDSDIVJAPIGHP-MRVPVSSYSA-N 0 0 192.266 1.295 10 0 ADAERN Nc1cnc(-c2cncc(F)c2)cn1 83891375 573692734 /nfs/dbraw/zinc/69/27/34/573692734.db2.gz KPWIUKKGEWVXPF-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Cc1cc(C=O)c(CCCO)cc1F 258085530 573692743 /nfs/dbraw/zinc/69/27/43/573692743.db2.gz NLMVLKJHYQGVCR-UHFFFAOYSA-N 0 0 196.221 1.872 10 0 ADAERN CCCC[C@H](C)[C@H](O)c1ncn(C)n1 714728049 573692787 /nfs/dbraw/zinc/69/27/87/573692787.db2.gz XLTNOBSEYYEIRH-IUCAKERBSA-N 0 0 197.282 1.675 10 0 ADAERN CCCCC[C@@]1(C(=O)[O-])CCC[NH2+]1 215647861 573692758 /nfs/dbraw/zinc/69/27/58/573692758.db2.gz CCSKQDKLICNUES-JTQLQIEISA-N 0 0 185.267 1.774 10 0 ADAERN CC[C@H](Nc1ncncc1N)C(C)C 86919933 573692777 /nfs/dbraw/zinc/69/27/77/573692777.db2.gz DMHQOCMOFNKURV-VIFPVBQESA-N 0 0 194.282 1.905 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@H]1C[C@H](O)CCO1 714727823 573692780 /nfs/dbraw/zinc/69/27/80/573692780.db2.gz ZRSAYPQXANQRDC-KYXWUPHJSA-N 0 0 170.252 1.572 10 0 ADAERN CC(C)[C@@H](C)Nc1ncncc1N 86919150 573692782 /nfs/dbraw/zinc/69/27/82/573692782.db2.gz HSHGLFYMYFHWJV-SSDOTTSWSA-N 0 0 180.255 1.515 10 0 ADAERN CC(C)[C@@H](C)N(C)c1ncncc1N 86919574 573692835 /nfs/dbraw/zinc/69/28/35/573692835.db2.gz WQGJSTZDSWNCGO-MRVPVSSYSA-N 0 0 194.282 1.540 10 0 ADAERN CCN(C)c1cncc(NC)c1 122093707 573692849 /nfs/dbraw/zinc/69/28/49/573692849.db2.gz CKNGIOCOFCYTRO-UHFFFAOYSA-N 0 0 165.240 1.579 10 0 ADAERN Nc1cncnc1NCC1CCCC1 86919406 573692858 /nfs/dbraw/zinc/69/28/58/573692858.db2.gz BOYQSTVYKZYJMM-UHFFFAOYSA-N 0 0 192.266 1.661 10 0 ADAERN CCN(c1cncc(N)c1)C1CC1 122094447 573692877 /nfs/dbraw/zinc/69/28/77/573692877.db2.gz MXUMXAJGJZTCGP-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN CCC[C@H](C)Nc1ncncc1N 86919035 573692878 /nfs/dbraw/zinc/69/28/78/573692878.db2.gz TYUXNBSPTULWQU-ZETCQYMHSA-N 0 0 180.255 1.659 10 0 ADAERN CC[C@H](C)N(C)c1ncncc1N 86919361 573692890 /nfs/dbraw/zinc/69/28/90/573692890.db2.gz ZBZJFQDBYJYIDG-ZETCQYMHSA-N 0 0 180.255 1.294 10 0 ADAERN C[C@@H](O)c1ccc(F)c2c1OCCO2 258093608 573692895 /nfs/dbraw/zinc/69/28/95/573692895.db2.gz OGBYHAYWLQYCEV-ZCFIWIBFSA-N 0 0 198.193 1.650 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1ncncc1N 86920724 573694134 /nfs/dbraw/zinc/69/41/34/573694134.db2.gz CCHVSFLIJXQHCA-IONNQARKSA-N 0 0 192.266 1.659 10 0 ADAERN O=C(CCCO)Cc1ccco1 236482348 573694222 /nfs/dbraw/zinc/69/42/22/573694222.db2.gz QAJFPBOGXPREFZ-UHFFFAOYSA-N 0 0 168.192 1.164 10 0 ADAERN C/C=C/C(=O)N1[C@H]2CC[C@@H]1CC(=O)C2 237993218 573694220 /nfs/dbraw/zinc/69/42/20/573694220.db2.gz ALLISBWBZLDUQX-MMCMULPCSA-N 0 0 193.246 1.285 10 0 ADAERN C[C@]1(c2cc(N)n[nH]2)CCCSC1 258087550 573694399 /nfs/dbraw/zinc/69/43/99/573694399.db2.gz MTIJSNWHHYIEFT-VIFPVBQESA-N 0 0 197.307 1.777 10 0 ADAERN C[C@H]1Cc2c(O)ccc(O)c2C1=O 238481023 573694400 /nfs/dbraw/zinc/69/44/00/573694400.db2.gz NETMWGQBEYMAFX-YFKPBYRVSA-N 0 0 178.187 1.473 10 0 ADAERN CO[C@H](c1cccnc1)N(C)C 259161086 573694405 /nfs/dbraw/zinc/69/44/05/573694405.db2.gz LRLBJOXLVGCNNP-SECBINFHSA-N 0 0 166.224 1.288 10 0 ADAERN CN(CC(C)(C)O)c1cccs1 258883908 573693779 /nfs/dbraw/zinc/69/37/79/573693779.db2.gz QMIWTMJDUXUWCL-UHFFFAOYSA-N 0 0 185.292 1.955 10 0 ADAERN C[C@]1(CO)CCc2cccc(F)c2N1 258085948 573693787 /nfs/dbraw/zinc/69/37/87/573693787.db2.gz HQSJIDBQJIJQIJ-LLVKDONJSA-N 0 0 195.237 1.935 10 0 ADAERN CCCOC[C@H](O)Cc1ccoc1 130734056 573693794 /nfs/dbraw/zinc/69/37/94/573693794.db2.gz OUIKLEGCSQPJOT-SNVBAGLBSA-N 0 0 184.235 1.610 10 0 ADAERN Nc1cncnc1N1CCCCC1 86918913 573693826 /nfs/dbraw/zinc/69/38/26/573693826.db2.gz QMOVNPSGJUOPOT-UHFFFAOYSA-N 0 0 178.239 1.049 10 0 ADAERN C1CCCN(c2nnns2)CC1 258883033 573693827 /nfs/dbraw/zinc/69/38/27/573693827.db2.gz DYNHZXKOEMFNAF-UHFFFAOYSA-N 0 0 184.268 1.314 10 0 ADAERN CCCOC[C@H](O)Cc1ccco1 130734451 573693857 /nfs/dbraw/zinc/69/38/57/573693857.db2.gz QZEKKXIBKRBNHK-SECBINFHSA-N 0 0 184.235 1.610 10 0 ADAERN CC(=O)Nc1cccc2c1C[C@H](C)O2 238480807 573693859 /nfs/dbraw/zinc/69/38/59/573693859.db2.gz HQWMKGJMIGDCRS-ZETCQYMHSA-N 0 0 191.230 1.968 10 0 ADAERN NC(=O)Sc1ccc2c(c1)OCO2 259162362 573693861 /nfs/dbraw/zinc/69/38/61/573693861.db2.gz GSFHNLKKTZSZLW-UHFFFAOYSA-N 0 0 197.215 1.586 10 0 ADAERN COC[C@@H](C)Nc1cncc(N)c1 122071545 573693868 /nfs/dbraw/zinc/69/38/68/573693868.db2.gz KBNNDTRWVROUAF-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN OC1CCC(NCC(F)F)CC1 236489147 573693871 /nfs/dbraw/zinc/69/38/71/573693871.db2.gz FFJRCDKTTLJHQV-UHFFFAOYSA-N 0 0 179.210 1.145 10 0 ADAERN C[C@@]1(CO)[C@@H]2[C@H]1CCCC21OCCO1 238481201 573693891 /nfs/dbraw/zinc/69/38/91/573693891.db2.gz IJQRLGBWVQVMMR-UTLUCORTSA-N 0 0 198.262 1.158 10 0 ADAERN C[C@H]1CCN(c2nnc(N)o2)[C@@H](C)C1 235637793 573693896 /nfs/dbraw/zinc/69/38/96/573693896.db2.gz HCUKEIKAHISSNN-BQBZGAKWSA-N 0 0 196.254 1.277 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1ncncc1N 86920720 573693915 /nfs/dbraw/zinc/69/39/15/573693915.db2.gz CCHVSFLIJXQHCA-CBAPKCEASA-N 0 0 192.266 1.659 10 0 ADAERN COC[C@@H](C)CN(C)C(=O)C1CC1 308419733 573693916 /nfs/dbraw/zinc/69/39/16/573693916.db2.gz OIDKDEVXWUKVJU-QMMMGPOBSA-N 0 0 185.267 1.137 10 0 ADAERN c1cc2c(c3c1COC3)CCN2 237991655 573694411 /nfs/dbraw/zinc/69/44/11/573694411.db2.gz CMYDCIVAQCJACQ-UHFFFAOYSA-N 0 0 161.204 1.685 10 0 ADAERN c1ncn([C@H]2CCOC3(CCC3)C2)n1 86914878 573693925 /nfs/dbraw/zinc/69/39/25/573693925.db2.gz VCTGINYCMSNRAF-VIFPVBQESA-N 0 0 193.250 1.552 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+]Cc2ccccc21 258086572 573693927 /nfs/dbraw/zinc/69/39/27/573693927.db2.gz WJOZTUMGYUALKD-SNVBAGLBSA-N 0 0 191.230 1.348 10 0 ADAERN CC[C@@H](C)N1CCN(C)C1=O 259161536 573693946 /nfs/dbraw/zinc/69/39/46/573693946.db2.gz GBOTVKDCVXHCSV-SSDOTTSWSA-N 0 0 156.229 1.152 10 0 ADAERN O=Cc1noc([C@@H]2CCCS2)n1 258085917 573693950 /nfs/dbraw/zinc/69/39/50/573693950.db2.gz RFSHLLBSFBWHOC-YFKPBYRVSA-N 0 0 184.220 1.450 10 0 ADAERN C[C@@]1(CO)C(=O)C[C@H]2C=C[C@@H]1C2 238481650 573693957 /nfs/dbraw/zinc/69/39/57/573693957.db2.gz XGOVZTBXKNTNHF-XKSSXDPKSA-N 0 0 166.220 1.150 10 0 ADAERN CN(C(=O)CC1CC1)C(C)(C)CCO 689818880 573693973 /nfs/dbraw/zinc/69/39/73/573693973.db2.gz IFDOUPGFYVHEPO-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN CO[C@@H](c1cccnc1)N(C)C 259161089 573693976 /nfs/dbraw/zinc/69/39/76/573693976.db2.gz LRLBJOXLVGCNNP-VIFPVBQESA-N 0 0 166.224 1.288 10 0 ADAERN Cc1cc2cccnc2n1CCCO 258087492 573694414 /nfs/dbraw/zinc/69/44/14/573694414.db2.gz JHFWQSMTMAFJMP-UHFFFAOYSA-N 0 0 190.246 1.727 10 0 ADAERN Cc1cc(C)c(CON)c(O)c1 258088283 573693989 /nfs/dbraw/zinc/69/39/89/573693989.db2.gz WLTMHXWYUSLARX-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN CCCC[N@H+](C)C/C(C)=C\C(=O)[O-] 215653290 573693992 /nfs/dbraw/zinc/69/39/92/573693992.db2.gz HIUAYNMXNFGHCY-CLFYSBASSA-N 0 0 185.267 1.749 10 0 ADAERN C[C@@H]1C[C@H](NC=O)c2ccccc2N1 238481878 573693993 /nfs/dbraw/zinc/69/39/93/573693993.db2.gz XROFDIKKABZNLR-KCJUWKMLSA-N 0 0 190.246 1.678 10 0 ADAERN CC[C@@H](C)C[C@@H](C)NC=O 83868519 573693995 /nfs/dbraw/zinc/69/39/95/573693995.db2.gz HYTNYTIBGWPYSA-HTQZYQBOSA-N 0 0 143.230 1.557 10 0 ADAERN Cc1cc(C)c(NCO)cc1C 258881347 573694016 /nfs/dbraw/zinc/69/40/16/573694016.db2.gz IBTWHGFJTGTBSF-UHFFFAOYSA-N 0 0 165.236 1.974 10 0 ADAERN CC1(C)C[C@H]1Nc1ncncc1N 86920384 573694032 /nfs/dbraw/zinc/69/40/32/573694032.db2.gz GRDYPIRPBNYLBA-SSDOTTSWSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1CCC[C@H]1C[NH2+]C/C=C\C(=O)[O-] 308418921 573694035 /nfs/dbraw/zinc/69/40/35/573694035.db2.gz VEFHQXYHSIJLRS-WXYRRYSDSA-N 0 0 197.278 1.653 10 0 ADAERN CC1(Nc2ncncc2N)CCCC1 86919766 573694081 /nfs/dbraw/zinc/69/40/81/573694081.db2.gz NFAPHMRNIASBLV-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN CN(C(=O)CCO)c1cccc(F)c1 258880998 573694086 /nfs/dbraw/zinc/69/40/86/573694086.db2.gz QDJDPIJMWGBQMW-UHFFFAOYSA-N 0 0 197.209 1.171 10 0 ADAERN CC(C)CN(C)c1ncncc1N 86919355 573694088 /nfs/dbraw/zinc/69/40/88/573694088.db2.gz VDKXGXIUSOGHOV-UHFFFAOYSA-N 0 0 180.255 1.151 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)c1cocc1C 689980303 573694097 /nfs/dbraw/zinc/69/40/97/573694097.db2.gz XZNYCDQRIOSXIV-SFGNSQDASA-N 0 0 182.219 1.656 10 0 ADAERN CC(C)(O)c1nccn2cccc12 258086597 573694103 /nfs/dbraw/zinc/69/41/03/573694103.db2.gz WKFSUPAADKKLOV-UHFFFAOYSA-N 0 0 176.219 1.562 10 0 ADAERN C[C@@H]1CC2(CCCC2)CNC1=O 238481851 573694104 /nfs/dbraw/zinc/69/41/04/573694104.db2.gz KKFZSNNGBZGTEV-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN O[C@@H]1CCC[C@H]1CCOCC(F)F 130748439 573694123 /nfs/dbraw/zinc/69/41/23/573694123.db2.gz VNSWSAHKKBVGKY-JGVFFNPUSA-N 0 0 194.221 1.819 10 0 ADAERN CCC(CC)CC(=O)N1CCCO1 308419119 573694128 /nfs/dbraw/zinc/69/41/28/573694128.db2.gz ODSVVXHPKYSQIS-UHFFFAOYSA-N 0 0 185.267 1.977 10 0 ADAERN C[C@@H](CO)c1cccc2c1NC(=O)C2 258085706 573694152 /nfs/dbraw/zinc/69/41/52/573694152.db2.gz NQJCXRIISXHAOK-ZETCQYMHSA-N 0 0 191.230 1.277 10 0 ADAERN CCN(c1ncncc1N)C(C)C 86919333 573694157 /nfs/dbraw/zinc/69/41/57/573694157.db2.gz SUWRMGVWEUZKKB-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN C[C@@H](CO)c1cc(O)ccc1F 258088436 573694159 /nfs/dbraw/zinc/69/41/59/573694159.db2.gz WNZNAAXDKAXYQZ-LURJTMIESA-N 0 0 170.183 1.627 10 0 ADAERN CN(CC(C)(C)C)c1ncncc1N 86920358 573694173 /nfs/dbraw/zinc/69/41/73/573694173.db2.gz NUQMZZCQOFENNH-UHFFFAOYSA-N 0 0 194.282 1.541 10 0 ADAERN C[C@@H]1CN(C)c2cc(CO)ccc2N1 259162020 573694198 /nfs/dbraw/zinc/69/41/98/573694198.db2.gz INTXSVBMGAZQTA-MRVPVSSYSA-N 0 0 192.262 1.429 10 0 ADAERN CCCCNc1cncc(N)c1 122072902 573694261 /nfs/dbraw/zinc/69/42/61/573694261.db2.gz YHPNSUQOQAIWPV-UHFFFAOYSA-N 0 0 165.240 1.876 10 0 ADAERN OCCSCc1ncoc1C1CC1 308417975 573694281 /nfs/dbraw/zinc/69/42/81/573694281.db2.gz RJWDKFRZQFNYJN-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN CC(=CS(C)(=O)=O)NC(C)(C)C 238481975 573694283 /nfs/dbraw/zinc/69/42/83/573694283.db2.gz VLGIYZUAMVWJRI-VOTSOKGWSA-N 0 0 191.296 1.280 10 0 ADAERN CC(C)CCNc1ncncc1N 86919056 573694294 /nfs/dbraw/zinc/69/42/94/573694294.db2.gz RVIBKXPWQOYWLL-UHFFFAOYSA-N 0 0 180.255 1.517 10 0 ADAERN C[C@H](O)C(=O)C1(O)CCCCCC1 238481410 573694295 /nfs/dbraw/zinc/69/42/95/573694295.db2.gz MYAKHUIPAHTOTB-QMMMGPOBSA-N 0 0 186.251 1.022 10 0 ADAERN S=c1[nH]c(Cl)cc2ccnn12 258086280 573694296 /nfs/dbraw/zinc/69/42/96/573694296.db2.gz WDXKOVGADYHFEW-UHFFFAOYSA-N 0 0 185.639 1.671 10 0 ADAERN CCNc1cncc(NC)c1 122063225 573694427 /nfs/dbraw/zinc/69/44/27/573694427.db2.gz PYLAXCHPDACHTC-UHFFFAOYSA-N 0 0 151.213 1.555 10 0 ADAERN O=C(CCCO)CC1CC1 236481305 573694300 /nfs/dbraw/zinc/69/43/00/573694300.db2.gz BVRUBIVXYIYOQZ-UHFFFAOYSA-N 0 0 142.198 1.128 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](/C=C\CC(=O)[O-])C1 258088047 573694302 /nfs/dbraw/zinc/69/43/02/573694302.db2.gz GGTCYWUUWDAITF-UMBAGQNISA-N 0 0 197.278 1.748 10 0 ADAERN O=Cc1cnn(-c2ccccc2O)c1 257851218 573694304 /nfs/dbraw/zinc/69/43/04/573694304.db2.gz OYHDPAXWMNOFPW-UHFFFAOYSA-N 0 0 188.186 1.390 10 0 ADAERN COC(=O)C1(C(=O)C2CCC2)CC1 259164001 573694305 /nfs/dbraw/zinc/69/43/05/573694305.db2.gz PBMSGRICMBOVQF-UHFFFAOYSA-N 0 0 182.219 1.309 10 0 ADAERN Cc1ccnc(C2CCC(O)CC2)n1 259163745 573694306 /nfs/dbraw/zinc/69/43/06/573694306.db2.gz SXYIPQRNJZMVDG-UHFFFAOYSA-N 0 0 192.262 1.804 10 0 ADAERN CCNc1cncc(NCC)c1 122064199 573694346 /nfs/dbraw/zinc/69/43/46/573694346.db2.gz PGKZDNNZVFVFLA-UHFFFAOYSA-N 0 0 165.240 1.945 10 0 ADAERN CCCCNc1ncncc1N 86919046 573694358 /nfs/dbraw/zinc/69/43/58/573694358.db2.gz HJEDAEQVVDWZRB-UHFFFAOYSA-N 0 0 166.228 1.271 10 0 ADAERN Cc1ncc(C[N@H+](C)CC2CC2)[nH]1 308419095 573694359 /nfs/dbraw/zinc/69/43/59/573694359.db2.gz OBNTYVPBGHOXPR-UHFFFAOYSA-N 0 0 179.267 1.560 10 0 ADAERN Cc1cc(O)cc2oncc12 238481550 573694364 /nfs/dbraw/zinc/69/43/64/573694364.db2.gz YQADGTUWHIHNAH-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1ncncc1N 86920723 573694434 /nfs/dbraw/zinc/69/44/34/573694434.db2.gz CCHVSFLIJXQHCA-VXNVDRBHSA-N 0 0 192.266 1.659 10 0 ADAERN O=C([O-])/C=C\[N@@H+]1CC[C@@H]2CCCC[C@@H]21 308417857 573695647 /nfs/dbraw/zinc/69/56/47/573695647.db2.gz LNNIHMDRKNCZQV-RASWUEQRSA-N 0 0 195.262 1.849 10 0 ADAERN C[C@H](O)[C@]12CCCC[C@H]1C2 258086583 573695656 /nfs/dbraw/zinc/69/56/56/573695656.db2.gz WJZZPBJYNLNMFV-XHNCKOQMSA-N 0 0 140.226 1.948 10 0 ADAERN COCO[C@H](C)C/C=C\C[C@@H](C)O 393551376 573696050 /nfs/dbraw/zinc/69/60/50/573696050.db2.gz ZMVAVGBWEPFGDO-BYIQDMNASA-N 0 0 188.267 1.713 10 0 ADAERN C[C@H](O)[C@@]1(c2ccccc2)CCO1 238480780 573695158 /nfs/dbraw/zinc/69/51/58/573695158.db2.gz JDNMAZQDPBZNPY-GXSJLCMTSA-N 0 0 178.231 1.683 10 0 ADAERN O=c1nc(C[C@H]2CCCS2)o[nH]1 258085963 573695176 /nfs/dbraw/zinc/69/51/76/573695176.db2.gz RGMXNGAAHGMLLK-RXMQYKEDSA-N 0 0 186.236 1.213 10 0 ADAERN Cc1c(C(F)F)ncc(CO)c1F 238481266 573695181 /nfs/dbraw/zinc/69/51/81/573695181.db2.gz NSGNGPNCLYOVKV-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN Cc1cc(O)cc2oc(=O)cc(N)c12 238481435 573695189 /nfs/dbraw/zinc/69/51/89/573695189.db2.gz UZOLANRAGDXFTP-UHFFFAOYSA-N 0 0 191.186 1.389 10 0 ADAERN CC[C@H](C)[C@@H](C)Nc1ncncc1N 86919885 573695204 /nfs/dbraw/zinc/69/52/04/573695204.db2.gz HGVXMPQEJLDOGU-JGVFFNPUSA-N 0 0 194.282 1.905 10 0 ADAERN CO[C@](C)(C(=O)OC1CC1)C1CC1 308418445 573695210 /nfs/dbraw/zinc/69/52/10/573695210.db2.gz NVGCPGOXHHNZQU-JTQLQIEISA-N 0 0 184.235 1.507 10 0 ADAERN Cc1ccc([C@@H]2CN(C#N)C(=O)N2)o1 259556784 573695227 /nfs/dbraw/zinc/69/52/27/573695227.db2.gz UFJXMYZYOFUDCO-ZETCQYMHSA-N 0 0 191.190 1.135 10 0 ADAERN CN(CC1CCC1)c1ncncc1N 86920619 573695240 /nfs/dbraw/zinc/69/52/40/573695240.db2.gz VHQWAJRJOXCWGR-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN C/C=C/C1=C(C)[C@H](C)NC(=S)N1N 237997334 573700160 /nfs/dbraw/zinc/70/01/60/573700160.db2.gz UBUDPJONQSQWMM-KPJROHGDSA-N 0 0 197.307 1.289 10 0 ADAERN COCCOC(=O)[C@H]1CCC1(F)F 308419175 573695247 /nfs/dbraw/zinc/69/52/47/573695247.db2.gz OGARANJYRBFEMH-ZCFIWIBFSA-N 0 0 194.177 1.221 10 0 ADAERN COc1ccc([C@@H](O)C2CC2)c(N)c1 257851124 573695280 /nfs/dbraw/zinc/69/52/80/573695280.db2.gz OXBWEGMTQXJAEV-NSHDSACASA-N 0 0 193.246 1.721 10 0 ADAERN C[Si](C)(C)C[C@@H]1C[C@H]1CO 197469179 573695291 /nfs/dbraw/zinc/69/52/91/573695291.db2.gz AJEJKGNTNJVDLE-YUMQZZPRSA-N 0 0 158.317 1.953 10 0 ADAERN COc1cc(N)cc2c(C)nn(C)c12 259558616 573695294 /nfs/dbraw/zinc/69/52/94/573695294.db2.gz UYXJFLKZEOHAAS-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN Nc1ncc(CCc2ccccn2)o1 258885551 573695301 /nfs/dbraw/zinc/69/53/01/573695301.db2.gz SZPZXXQOTCZYFZ-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN Cc1[nH+]cc2n1[C@@H](CO)CCC2 258415075 573695311 /nfs/dbraw/zinc/69/53/11/573695311.db2.gz VQMYGDDJTVYNLQ-SECBINFHSA-N 0 0 166.224 1.061 10 0 ADAERN CC1CCC(C(=O)N2CC(O)C2)CC1 122084261 573695333 /nfs/dbraw/zinc/69/53/33/573695333.db2.gz OCPZRNGKPFSMJS-UHFFFAOYSA-N 0 0 197.278 1.016 10 0 ADAERN CC[C@H](C)C[N@H+](C)C/C(C)=C\C(=O)[O-] 215658505 573696054 /nfs/dbraw/zinc/69/60/54/573696054.db2.gz ZTUZCDUNBVDIMK-LKJZUNMESA-N 0 0 199.294 1.995 10 0 ADAERN O=Cc1noc([C@H]2CCCS2)n1 258085915 573695345 /nfs/dbraw/zinc/69/53/45/573695345.db2.gz RFSHLLBSFBWHOC-RXMQYKEDSA-N 0 0 184.220 1.450 10 0 ADAERN CC1=C(Cl)C=C[C@@H](C)C(=O)N1 197479371 573695376 /nfs/dbraw/zinc/69/53/76/573695376.db2.gz RASVUGPKXNVUNH-RXMQYKEDSA-N 0 0 171.627 1.779 10 0 ADAERN CC(C)(O)c1c(F)ccc2c1OCC2 258085666 573695382 /nfs/dbraw/zinc/69/53/82/573695382.db2.gz NPLWCAIVWBJAHW-UHFFFAOYSA-N 0 0 196.221 1.988 10 0 ADAERN CS[C@H](C)CNCC(F)F 122075469 573695392 /nfs/dbraw/zinc/69/53/92/573695392.db2.gz BFXXSBHLLSUIRH-RXMQYKEDSA-N 0 0 169.240 1.593 10 0 ADAERN OCc1cnccc1OCC(F)F 130730881 573695400 /nfs/dbraw/zinc/69/54/00/573695400.db2.gz JVJYLNKXDSZNGZ-UHFFFAOYSA-N 0 0 189.161 1.218 10 0 ADAERN Cn1cc[nH+]c1NCCC1CC1 83910998 573695424 /nfs/dbraw/zinc/69/54/24/573695424.db2.gz IHPOUPBVIMPPFW-UHFFFAOYSA-N 0 0 165.240 1.632 10 0 ADAERN CC[C@@H](C)[C@H](C)Nc1ncncc1N 86919887 573695429 /nfs/dbraw/zinc/69/54/29/573695429.db2.gz HGVXMPQEJLDOGU-SFYZADRCSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@@]1(c2cc(N)n[nH]2)CCCSC1 258087547 573695432 /nfs/dbraw/zinc/69/54/32/573695432.db2.gz MTIJSNWHHYIEFT-SECBINFHSA-N 0 0 197.307 1.777 10 0 ADAERN C=Cc1nc(-c2nccn2C)no1 122072248 573695441 /nfs/dbraw/zinc/69/54/41/573695441.db2.gz PPEMZTJPPOMGPH-UHFFFAOYSA-N 0 0 176.179 1.113 10 0 ADAERN C1Cc2c(C3CC3)n[nH]c2CO1 237990910 573695474 /nfs/dbraw/zinc/69/54/74/573695474.db2.gz CBLWCDSGYZTHIZ-UHFFFAOYSA-N 0 0 164.208 1.360 10 0 ADAERN CCC1=NC(C)(C)N=C(OC)N1 197480322 573695503 /nfs/dbraw/zinc/69/55/03/573695503.db2.gz HMHZUOUQOASWMQ-UHFFFAOYSA-N 0 0 169.228 1.137 10 0 ADAERN CC(=O)[C@H](C)[C@@H]1COC(C)(C)O1 238481853 573695511 /nfs/dbraw/zinc/69/55/11/573695511.db2.gz GADYNLVOKHZYRI-XPUUQOCRSA-N 0 0 172.224 1.363 10 0 ADAERN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)CF 308419166 573695512 /nfs/dbraw/zinc/69/55/12/573695512.db2.gz OFRZLMJGGMCGLX-QXFUBDJGSA-N 0 0 187.258 1.897 10 0 ADAERN Cc1cc(O)cc2c1NC(=O)C2(F)F 238481156 573695524 /nfs/dbraw/zinc/69/55/24/573695524.db2.gz REJQVDSGRBLPCE-UHFFFAOYSA-N 0 0 199.156 1.745 10 0 ADAERN CC(=O)[C@H](C)[C@@H]1CC[C@@H]1F 238481595 573695526 /nfs/dbraw/zinc/69/55/26/573695526.db2.gz PAHLKVBZYMLILO-GEVIPFJHSA-N 0 0 144.189 1.960 10 0 ADAERN COC(=O)CCCc1cnn(C)c1C 259556753 573695542 /nfs/dbraw/zinc/69/55/42/573695542.db2.gz CCAFJOMHYBAHPS-UHFFFAOYSA-N 0 0 196.250 1.224 10 0 ADAERN Cc1ncc(N)c(C(F)F)c1C[NH3+] 238480889 573695561 /nfs/dbraw/zinc/69/55/61/573695561.db2.gz GMCRMRWGWJIWPP-UHFFFAOYSA-N 0 0 187.193 1.369 10 0 ADAERN CCC(C)(C)N(C)c1ncncc1N 86920896 573695565 /nfs/dbraw/zinc/69/55/65/573695565.db2.gz MUJWDJBAJORSOR-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN NOCCc1c(O)ccc(F)c1F 258088155 573695566 /nfs/dbraw/zinc/69/55/66/573695566.db2.gz NUMUDZXNGCIVSH-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN C[C@H]1CCC[C@H](C2=NCC(=O)N2)C1 235638696 573695567 /nfs/dbraw/zinc/69/55/67/573695567.db2.gz WDTBVHDIEHXOCT-YUMQZZPRSA-N 0 0 180.251 1.341 10 0 ADAERN C[C@@H](CC1CC1)Nc1ncncc1N 86920912 573695578 /nfs/dbraw/zinc/69/55/78/573695578.db2.gz XWTWBGKNQGGIQH-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN C/C=C\C=C/C(=S)NC 211822799 573695583 /nfs/dbraw/zinc/69/55/83/573695583.db2.gz XBHSDAJRCRDMMD-OUPQRBNQSA-N 0 0 141.239 1.666 10 0 ADAERN CCc1ccc2ncc(C=O)n2n1 259163520 573695586 /nfs/dbraw/zinc/69/55/86/573695586.db2.gz VTKGKASKDNROON-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CC(=O)c1cc(-c2ccncc2)[nH]n1 258415138 573695590 /nfs/dbraw/zinc/69/55/90/573695590.db2.gz DJYDOFYINVRNQU-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN CC/C(=C/c1ccnc(C)n1)[N+](=O)[O-] 124900242 573695600 /nfs/dbraw/zinc/69/56/00/573695600.db2.gz VSTWANJJCLLJKT-TWGQIWQCSA-N 0 0 193.206 1.813 10 0 ADAERN COc1ccc([C@H](O)C2CC2)c(N)c1 257851121 573695628 /nfs/dbraw/zinc/69/56/28/573695628.db2.gz OXBWEGMTQXJAEV-LLVKDONJSA-N 0 0 193.246 1.721 10 0 ADAERN OCCc1csc(-c2cc[nH]c2)n1 259161426 573695672 /nfs/dbraw/zinc/69/56/72/573695672.db2.gz FCKYGSXDELNWLC-UHFFFAOYSA-N 0 0 194.259 1.673 10 0 ADAERN CONCc1ccc(O)cc1OC 258085677 573695677 /nfs/dbraw/zinc/69/56/77/573695677.db2.gz NPSDNDIKYBQSMI-UHFFFAOYSA-N 0 0 183.207 1.052 10 0 ADAERN CC(C)[C@@H](COC(C)(C)C)NN 126851979 573695681 /nfs/dbraw/zinc/69/56/81/573695681.db2.gz ANZQYUWCFRABNM-MRVPVSSYSA-N 0 0 174.288 1.289 10 0 ADAERN CCC(=O)N(C)c1ccc(N)nc1 259163129 573695692 /nfs/dbraw/zinc/69/56/92/573695692.db2.gz NRIKLDIFCHYILE-UHFFFAOYSA-N 0 0 179.223 1.037 10 0 ADAERN CCN(CC)c1nc(C2CC2)no1 308422316 573695701 /nfs/dbraw/zinc/69/57/01/573695701.db2.gz PBWAAUQXCMJYCS-UHFFFAOYSA-N 0 0 181.239 1.793 10 0 ADAERN Cc1cc(O)cc2oc(=N)sc12 238481338 573695717 /nfs/dbraw/zinc/69/57/17/573695717.db2.gz XQVPSJOEZKWPNS-UHFFFAOYSA-N 0 0 181.216 1.988 10 0 ADAERN Cc1ccc(-c2nn(C)nc2N)cc1 238480842 573695756 /nfs/dbraw/zinc/69/57/56/573695756.db2.gz UBHOTQMCSVFGNI-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN COc1cc(CON)c(F)cc1F 258087993 573695759 /nfs/dbraw/zinc/69/57/59/573695759.db2.gz NSDFZBIJIHQSJW-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN OC[C@@H](O)c1cc(F)c(F)cc1F 236498977 573695760 /nfs/dbraw/zinc/69/57/60/573695760.db2.gz ZUBDUTQSHUHHTE-MRVPVSSYSA-N 0 0 192.136 1.130 10 0 ADAERN C[N@H+](CCCC(=O)[O-])[C@@H]1CC1(C)C 308418483 573695762 /nfs/dbraw/zinc/69/57/62/573695762.db2.gz NVYHCDKFGIBKCL-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H]1[NH2+][C@@H](CC(=O)[O-])C(C)(C)S1 238481241 573695770 /nfs/dbraw/zinc/69/57/70/573695770.db2.gz KGPACEMKKNYZRY-WDSKDSINSA-N 0 0 189.280 1.291 10 0 ADAERN Cn1cnc2c(C(C)(C)O)cccc21 258085684 573695778 /nfs/dbraw/zinc/69/57/78/573695778.db2.gz NPVHFMRLGYBOGT-UHFFFAOYSA-N 0 0 190.246 1.801 10 0 ADAERN C[C@H](O)c1ccc(N(C)C2CC2)nc1 124902923 573695787 /nfs/dbraw/zinc/69/57/87/573695787.db2.gz VPXFANUOMSXERO-QMMMGPOBSA-N 0 0 192.262 1.734 10 0 ADAERN C[C@H](O)CC(C)(C)CN1CCCC1=O 393551380 573695791 /nfs/dbraw/zinc/69/57/91/573695791.db2.gz ZQVRSFIDUXCGJW-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN C[C@]1(F)CCCC1=O 197465808 573695842 /nfs/dbraw/zinc/69/58/42/573695842.db2.gz ARFJWCAOPXMQOX-LURJTMIESA-N 0 0 116.135 1.468 10 0 ADAERN Oc1ccc2c(c1)CC[C@H](O)C21CC1 259162283 573695850 /nfs/dbraw/zinc/69/58/50/573695850.db2.gz HMBFVJDTKIUSFI-NSHDSACASA-N 0 0 190.242 1.731 10 0 ADAERN C[C@H](O)[C@H](C)C=C1CC1 238481451 573695851 /nfs/dbraw/zinc/69/58/51/573695851.db2.gz SQVYRYFFQRMYBK-RQJHMYQMSA-N 0 0 126.199 1.724 10 0 ADAERN C[N@H+](CCCC(=O)[O-])[C@H]1CC1(C)C 308418488 573695872 /nfs/dbraw/zinc/69/58/72/573695872.db2.gz NVYHCDKFGIBKCL-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN NNCNc1c[nH]c2ccccc12 259163086 573695894 /nfs/dbraw/zinc/69/58/94/573695894.db2.gz TYIQOESDZNSKPY-UHFFFAOYSA-N 0 0 176.223 1.001 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1F)OCO2 258087909 573695895 /nfs/dbraw/zinc/69/58/95/573695895.db2.gz NQTKIBSUXPFIQY-LURJTMIESA-N 0 0 198.193 1.650 10 0 ADAERN O=Cc1cc([C@H]2CCSC2)n[nH]1 257847152 573695896 /nfs/dbraw/zinc/69/58/96/573695896.db2.gz ALIUVEPBCOWRFH-LURJTMIESA-N 0 0 182.248 1.443 10 0 ADAERN CC[C@H](O)[C@H](C)C[C@@H](C)O 78975446 573695906 /nfs/dbraw/zinc/69/59/06/573695906.db2.gz INVGCXXCVPGTOA-PRJMDXOYSA-N 0 0 146.230 1.164 10 0 ADAERN OCCc1ccc(NC2CC2)cc1 236513371 573695907 /nfs/dbraw/zinc/69/59/07/573695907.db2.gz ZOINBYSFCHNOTK-UHFFFAOYSA-N 0 0 177.247 1.796 10 0 ADAERN Cc1ccc([C@H]2CN(C#N)C(=O)N2)o1 259556781 573695908 /nfs/dbraw/zinc/69/59/08/573695908.db2.gz UFJXMYZYOFUDCO-SSDOTTSWSA-N 0 0 191.190 1.135 10 0 ADAERN O=Cc1coc(C[C@H]2CCCS2)n1 258087770 573695917 /nfs/dbraw/zinc/69/59/17/573695917.db2.gz MTPCXICNPQXIGR-MRVPVSSYSA-N 0 0 197.259 1.925 10 0 ADAERN C[C@@H]1C[C@]1(C)[C@@H]1C[C@@H](O)CCO1 714727817 573695918 /nfs/dbraw/zinc/69/59/18/573695918.db2.gz ZRSAYPQXANQRDC-KATARQTJSA-N 0 0 170.252 1.572 10 0 ADAERN Nc1ccc(NCCC2CC2)nc1 83893504 573695927 /nfs/dbraw/zinc/69/59/27/573695927.db2.gz SLLDELSYVYXQOO-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN Cc1cccc(-c2nc(=O)[nH]o2)c1 258085907 573695928 /nfs/dbraw/zinc/69/59/28/573695928.db2.gz RFPYKZBOIQSMED-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN COCCOC(=O)[C@@H]1CCC1(F)F 308419174 573695929 /nfs/dbraw/zinc/69/59/29/573695929.db2.gz OGARANJYRBFEMH-LURJTMIESA-N 0 0 194.177 1.221 10 0 ADAERN OCc1cnoc1C1CCOCC1 258415288 573695940 /nfs/dbraw/zinc/69/59/40/573695940.db2.gz DMWLXVUMLQFWDE-UHFFFAOYSA-N 0 0 183.207 1.061 10 0 ADAERN Cn1c(=O)c(Cl)cc2ncccc21 258086345 573695941 /nfs/dbraw/zinc/69/59/41/573695941.db2.gz WEMWSISULRFGCN-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN Cc1cc2c(o1)CC[C@@H](O)CC2 238481131 573695949 /nfs/dbraw/zinc/69/59/49/573695949.db2.gz JRHCCERLIHWNME-VIFPVBQESA-N 0 0 166.220 1.828 10 0 ADAERN COc1cc(CCO)cc2c1OCC2 258088158 573695963 /nfs/dbraw/zinc/69/59/63/573695963.db2.gz NUONUZRCHCPVNS-UHFFFAOYSA-N 0 0 194.230 1.165 10 0 ADAERN C/C(Cl)=C/COCCO 238480899 573695964 /nfs/dbraw/zinc/69/59/64/573695964.db2.gz NKKZVSSLXFUBQN-KXFIGUGUSA-N 0 0 150.605 1.138 10 0 ADAERN CNc1ccc(O)cc1C(C)=O 197470597 573695977 /nfs/dbraw/zinc/69/59/77/573695977.db2.gz BFRWZRWKQZCXFX-UHFFFAOYSA-N 0 0 165.192 1.637 10 0 ADAERN C[C@@]12CCC(=O)C[C@@H]1C2 197467996 573695979 /nfs/dbraw/zinc/69/59/79/573695979.db2.gz NLXHGQIWPXTKRV-SVRRBLITSA-N 0 0 124.183 1.766 10 0 ADAERN Cc1[nH]cc(N)c(=O)c1C(F)F 238481591 573695980 /nfs/dbraw/zinc/69/59/80/573695980.db2.gz DJANVQRMHIRISP-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN Cc1ccc(CON)c2c1OCCO2 258087979 573695988 /nfs/dbraw/zinc/69/59/88/573695988.db2.gz NRVBUYNFSQKITG-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN OC[C@@]1(c2cccc(F)c2)CCO1 258415049 573695991 /nfs/dbraw/zinc/69/59/91/573695991.db2.gz CGJLTEFKLYTWBP-SNVBAGLBSA-N 0 0 182.194 1.434 10 0 ADAERN CC(=O)[C@H](C)[C@@H]1C[C@@H]1C(C)(C)O 238481991 573696006 /nfs/dbraw/zinc/69/60/06/573696006.db2.gz RATXGJHTTQTYDN-XVYDVKMFSA-N 0 0 170.252 1.619 10 0 ADAERN C[Si](C)(C)C[C@H]1C[C@H]1CO 197469190 573696038 /nfs/dbraw/zinc/69/60/38/573696038.db2.gz AJEJKGNTNJVDLE-JGVFFNPUSA-N 0 0 158.317 1.953 10 0 ADAERN c1nsc(NCCC2CC2)n1 83911137 573696042 /nfs/dbraw/zinc/69/60/42/573696042.db2.gz NZRYKRHWDWQEDP-UHFFFAOYSA-N 0 0 169.253 1.750 10 0 ADAERN Cc1cc(C=O)c([C@H](C)O)cc1F 258087929 573696045 /nfs/dbraw/zinc/69/60/45/573696045.db2.gz NRABQAOMBHZDCW-ZETCQYMHSA-N 0 0 182.194 2.000 10 0 ADAERN NNc1ccc2c(c1)CCCN2 259166046 573700662 /nfs/dbraw/zinc/70/06/62/573700662.db2.gz KODYLPCRJBYZDQ-UHFFFAOYSA-N 0 0 163.224 1.330 10 0 ADAERN C=C/C=C/[C@@H](C)[C@H](C)O 238483089 573700732 /nfs/dbraw/zinc/70/07/32/573700732.db2.gz WVJQMLTTXRTMOI-KTERXBQFSA-N 0 0 126.199 1.746 10 0 ADAERN Cc1ccoc1[C@@H](C)N[C@H](C)C(N)=O 308686808 573700284 /nfs/dbraw/zinc/70/02/84/573700284.db2.gz ZVDNQKYZSJGEGN-HTQZYQBOSA-N 0 0 196.250 1.112 10 0 ADAERN CC[C@@H](F)[C@H](C)O 257848411 573700733 /nfs/dbraw/zinc/70/07/33/573700733.db2.gz QWKGTMOLADCCAC-CRCLSJGQSA-N 0 0 106.140 1.115 10 0 ADAERN COC[C@]1(O)CC(C)(C)OC1(C)C 86928079 573700748 /nfs/dbraw/zinc/70/07/48/573700748.db2.gz IGCPCAUJVSKKBL-SNVBAGLBSA-N 0 0 188.267 1.341 10 0 ADAERN COC(OC)c1cc(C=O)ccc1F 258099659 573700799 /nfs/dbraw/zinc/70/07/99/573700799.db2.gz NUEGBWWTTHEMJO-UHFFFAOYSA-N 0 0 198.193 1.930 10 0 ADAERN C[C@H]1Cc2ccc(CCCO)n2C1 238483045 573700801 /nfs/dbraw/zinc/70/08/01/573700801.db2.gz PNBPRTPEVORSMC-VIFPVBQESA-N 0 0 179.263 1.605 10 0 ADAERN CCc1ccncc1CC(C)(C)O 259165906 573700819 /nfs/dbraw/zinc/70/08/19/573700819.db2.gz HQXQNELCDYCKMK-UHFFFAOYSA-N 0 0 179.263 1.957 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]1C1CCCCCC1 257848089 573700834 /nfs/dbraw/zinc/70/08/34/573700834.db2.gz ODQWMYBCWJVBRG-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN OCc1cnc(C[C@@H]2CCCO2)s1 83943031 573701493 /nfs/dbraw/zinc/70/14/93/573701493.db2.gz QYWJEOYMKSKUFZ-ZETCQYMHSA-N 0 0 199.275 1.357 10 0 ADAERN C[C@](CO)(CC12CC(CO1)C2)C1CC1 716111797 573700861 /nfs/dbraw/zinc/70/08/61/573700861.db2.gz PZTVRTPCFLHWGR-CKBZRRDASA-N 0 0 196.290 1.964 10 0 ADAERN CNc1n[nH]c2c1C(C)(C)OC2(C)C 86927822 573700868 /nfs/dbraw/zinc/70/08/68/573700868.db2.gz BPIIVNUPFPMZNN-UHFFFAOYSA-N 0 0 195.266 1.952 10 0 ADAERN OC[C@H]1COc2c(Cl)cccc2C1 236517050 573700870 /nfs/dbraw/zinc/70/08/70/573700870.db2.gz UOJLNEXSWAMCOP-ZETCQYMHSA-N 0 0 198.649 1.883 10 0 ADAERN CC[C@H](O)[C@H](C)OCC(F)F 130759137 573700880 /nfs/dbraw/zinc/70/08/80/573700880.db2.gz QPCSIUUYBHVPSK-WDSKDSINSA-N 0 0 168.183 1.428 10 0 ADAERN COc1ccc(N(C)C#N)cc1OC 259168333 573699206 /nfs/dbraw/zinc/69/92/06/573699206.db2.gz GNXGEMFBVRQHOD-UHFFFAOYSA-N 0 0 192.218 1.621 10 0 ADAERN COC[C@H](C)NCc1ncoc1C 308424843 573699207 /nfs/dbraw/zinc/69/92/07/573699207.db2.gz QKXKFQQBZXXPEA-ZETCQYMHSA-N 0 0 184.239 1.108 10 0 ADAERN COC[C@@]1(O)CC(C)(C)OC1(C)C 86928078 573699211 /nfs/dbraw/zinc/69/92/11/573699211.db2.gz IGCPCAUJVSKKBL-JTQLQIEISA-N 0 0 188.267 1.341 10 0 ADAERN C[C@@H]1OC(C)(C)OC[C@@H]1CCO 197470315 573699224 /nfs/dbraw/zinc/69/92/24/573699224.db2.gz HLAKWBTVPSFVKH-YUMQZZPRSA-N 0 0 174.240 1.156 10 0 ADAERN OC[C@@H]1CCN2c3ccccc3C[C@H]12 257848963 573699257 /nfs/dbraw/zinc/69/92/57/573699257.db2.gz OHEVPYWPSCZXES-CMPLNLGQSA-N 0 0 189.258 1.430 10 0 ADAERN Cc1ccc(C(=O)C2(CO)CC2)cc1 259168599 573699271 /nfs/dbraw/zinc/69/92/71/573699271.db2.gz MIVUKBDKHMHPSG-UHFFFAOYSA-N 0 0 190.242 1.950 10 0 ADAERN CC[C@H](O)CC[C@H](F)[C@@H](O)CC 238307296 573699272 /nfs/dbraw/zinc/69/92/72/573699272.db2.gz VFZFEHFFYSUEJC-CIUDSAMLSA-N 0 0 178.247 1.647 10 0 ADAERN CCNc1cncc(NC[C@H](C)O)c1 122125134 573699280 /nfs/dbraw/zinc/69/92/80/573699280.db2.gz HHLBBGGNHIGOFZ-QMMMGPOBSA-N 0 0 195.266 1.306 10 0 ADAERN C[C@H]1Nc2cccc(O)c2NC1=O 259171355 573699304 /nfs/dbraw/zinc/69/93/04/573699304.db2.gz JDMIBLNTVKYZGE-RXMQYKEDSA-N 0 0 178.191 1.145 10 0 ADAERN C[C@H]1Cc2cc(O)ccc2O[C@H]1O 238482423 573699306 /nfs/dbraw/zinc/69/93/06/573699306.db2.gz PUOHEVQWNCBHTK-QUBYGPBYSA-N 0 0 180.203 1.282 10 0 ADAERN C/C=C/C(C)=C(\C)CO 237996263 573699307 /nfs/dbraw/zinc/69/93/07/573699307.db2.gz XDBFUGHLBSHQAX-AOSYACOCSA-N 0 0 126.199 1.891 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@H]1C1CCCCCC1 257848091 573699315 /nfs/dbraw/zinc/69/93/15/573699315.db2.gz ODQWMYBCWJVBRG-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN CCN1Cc2c(N)nn(C(C)C)c2C1 257848021 573699328 /nfs/dbraw/zinc/69/93/28/573699328.db2.gz OBRJYGUWOBEGFD-UHFFFAOYSA-N 0 0 194.282 1.382 10 0 ADAERN Cn1ncc(-c2ccccc2O)c1N 257848392 573699347 /nfs/dbraw/zinc/69/93/47/573699347.db2.gz QUJGHFNIZFFFFO-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN c1[nH]nc2sc(C3COC3)nc12 238001050 573699354 /nfs/dbraw/zinc/69/93/54/573699354.db2.gz CMYXQNVGRVBSRD-UHFFFAOYSA-N 0 0 181.220 1.133 10 0 ADAERN COc1ccccc1[C@@H]1CC(=O)NO1 257848051 573699362 /nfs/dbraw/zinc/69/93/62/573699362.db2.gz OCQGQQHAAKBNAM-VIFPVBQESA-N 0 0 193.202 1.188 10 0 ADAERN C[C@H]1Cc2ccc(CCO)n2C1 238483113 573699363 /nfs/dbraw/zinc/69/93/63/573699363.db2.gz QUSSEZSCYFHLEO-QMMMGPOBSA-N 0 0 165.236 1.215 10 0 ADAERN CC(=O)CC(=O)N(C)c1ccc(C)o1 258884935 573699366 /nfs/dbraw/zinc/69/93/66/573699366.db2.gz HFAUVDRLXBFKQJ-UHFFFAOYSA-N 0 0 195.218 1.530 10 0 ADAERN CO[C@H](C)C[C@@H](NN)c1cc(C)co1 716108872 573699380 /nfs/dbraw/zinc/69/93/80/573699380.db2.gz HGVDKWLZUMVYAK-RKDXNWHRSA-N 0 0 198.266 1.517 10 0 ADAERN C[C@H]1CNc2c(CO)cccc2N1C 258415207 573699386 /nfs/dbraw/zinc/69/93/86/573699386.db2.gz DLMKJZOPCDDBGX-QMMMGPOBSA-N 0 0 192.262 1.429 10 0 ADAERN CCOC(=O)CN(C)c1ccc(C)o1 259166575 573699389 /nfs/dbraw/zinc/69/93/89/573699389.db2.gz UFYSLBIVYFSQJB-UHFFFAOYSA-N 0 0 197.234 1.587 10 0 ADAERN C[C@H]1Cc2ccc(CO)n2C1 238483216 573699422 /nfs/dbraw/zinc/69/94/22/573699422.db2.gz YILCBEQAYOHNCM-ZETCQYMHSA-N 0 0 151.209 1.173 10 0 ADAERN C[C@@H]1Nc2cccc(O)c2NC1=O 259171359 573699464 /nfs/dbraw/zinc/69/94/64/573699464.db2.gz JDMIBLNTVKYZGE-YFKPBYRVSA-N 0 0 178.191 1.145 10 0 ADAERN Cc1ccc(-n2c(C)nnc2N)cc1 238483346 573699474 /nfs/dbraw/zinc/69/94/74/573699474.db2.gz VUSLLVDQWSIVPU-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCc1ccc(C)c(ON)c1 258099798 573700888 /nfs/dbraw/zinc/70/08/88/573700888.db2.gz XPHBTTXBQIWISA-UHFFFAOYSA-N 0 0 151.209 1.810 10 0 ADAERN Cc1ccc(-c2cc(C=O)n(C)n2)o1 258415188 573699497 /nfs/dbraw/zinc/69/94/97/573699497.db2.gz DLFUNJKUFIPZIJ-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CCC(=O)NC1CCC(CCO)CC1 259166691 573699543 /nfs/dbraw/zinc/69/95/43/573699543.db2.gz NTRBLBMGSXWLEQ-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CC=CC1=NC(=S)N[C@H](C)[C@@H]1C 237998446 573699544 /nfs/dbraw/zinc/69/95/44/573699544.db2.gz DNLZCSYDSPUQTC-LYNIJRAASA-N 0 0 182.292 1.916 10 0 ADAERN Cc1ccc(O)c2c1[C@H]1CCO[C@@H]1O2 238482720 573699547 /nfs/dbraw/zinc/69/95/47/573699547.db2.gz WRHIACRBGCVILX-RDDDGLTNSA-N 0 0 192.214 1.923 10 0 ADAERN O=C(c1cccs1)[C@@H](O)C1CC1 236521738 573700892 /nfs/dbraw/zinc/70/08/92/573700892.db2.gz MPMQQLKVVUKGNB-QMMMGPOBSA-N 0 0 182.244 1.702 10 0 ADAERN O=[S@](Cc1ncccn1)CC1CC1 308425346 573699552 /nfs/dbraw/zinc/69/95/52/573699552.db2.gz WJTIVFMYYAXXPB-ZDUSSCGKSA-N 0 0 196.275 1.135 10 0 ADAERN CC[C@@H]1CCCC[C@H]1N1CNCC1=O 122126414 573699553 /nfs/dbraw/zinc/69/95/53/573699553.db2.gz RTRBJKWHIZHCIM-NXEZZACHSA-N 0 0 196.294 1.345 10 0 ADAERN C[C@H]1C[C@H](CO)Cc2oc(CO)cc21 197469909 573699554 /nfs/dbraw/zinc/69/95/54/573699554.db2.gz QRZQTLLLUIUELH-YUMQZZPRSA-N 0 0 196.246 1.430 10 0 ADAERN Cc1ccc(CN2CC(=O)C2)cc1 238482877 573699559 /nfs/dbraw/zinc/69/95/59/573699559.db2.gz JMNKKANZYKWHBP-UHFFFAOYSA-N 0 0 175.231 1.380 10 0 ADAERN C[C@@H](O)CC(C)(C)CN1CCCC1=O 393551379 573699570 /nfs/dbraw/zinc/69/95/70/573699570.db2.gz ZQVRSFIDUXCGJW-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@]1(Cl)CCCC(=O)[C@H]1O 238482492 573699594 /nfs/dbraw/zinc/69/95/94/573699594.db2.gz XRMXIWFHOXAQHZ-RQJHMYQMSA-N 0 0 162.616 1.098 10 0 ADAERN OC[C@@H]1COc2c(F)cccc2C1 236513270 573699639 /nfs/dbraw/zinc/69/96/39/573699639.db2.gz YANASAOZELGTPN-SSDOTTSWSA-N 0 0 182.194 1.369 10 0 ADAERN COc1cc(C)cc(CNO)c1 258099802 573700896 /nfs/dbraw/zinc/70/08/96/573700896.db2.gz XPOFBWKYZVTBST-UHFFFAOYSA-N 0 0 167.208 1.482 10 0 ADAERN OC[C@@]1(c2ccc(F)cc2)CCO1 258415034 573699694 /nfs/dbraw/zinc/69/96/94/573699694.db2.gz CGDZFCDOUKBQJJ-SNVBAGLBSA-N 0 0 182.194 1.434 10 0 ADAERN OCCCC1(c2ccccn2)COC1 258885664 573699661 /nfs/dbraw/zinc/69/96/61/573699661.db2.gz TVFVJPWZDDYBQJ-UHFFFAOYSA-N 0 0 193.246 1.122 10 0 ADAERN COC(=O)[C@@H](CO)c1ccc(C)cc1 258099705 573699673 /nfs/dbraw/zinc/69/96/73/573699673.db2.gz DUVBLOGROFWTDX-JTQLQIEISA-N 0 0 194.230 1.244 10 0 ADAERN OCC1=Cc2cccc(F)c2OC1 236491523 573699675 /nfs/dbraw/zinc/69/96/75/573699675.db2.gz KUMMANGBYNXYKE-UHFFFAOYSA-N 0 0 180.178 1.594 10 0 ADAERN CC[C@@H](C)OCn1cnc(CO)c1 393551419 573699712 /nfs/dbraw/zinc/69/97/12/573699712.db2.gz FWLINOJRULTYGH-MRVPVSSYSA-N 0 0 184.239 1.148 10 0 ADAERN Cc1ccoc1[C@H](C)N[C@@H](C)C(N)=O 308686811 573699713 /nfs/dbraw/zinc/69/97/13/573699713.db2.gz ZVDNQKYZSJGEGN-YUMQZZPRSA-N 0 0 196.250 1.112 10 0 ADAERN C[C@@]1(C2CCCCC2)CNC(=O)N1 238482631 573699714 /nfs/dbraw/zinc/69/97/14/573699714.db2.gz ZZVWBUMLDGDQMK-JTQLQIEISA-N 0 0 182.267 1.638 10 0 ADAERN CC(C)([NH3+])c1ccc(N)c([S-])c1 259558168 573699716 /nfs/dbraw/zinc/69/97/16/573699716.db2.gz RYGUXEDBOXLKBK-UHFFFAOYSA-N 0 0 182.292 1.751 10 0 ADAERN OC[C@@]1(C2CCCC2)CCCOC1 236498274 573699720 /nfs/dbraw/zinc/69/97/20/573699720.db2.gz PMEGBDYXAGMRHF-NSHDSACASA-N 0 0 184.279 1.966 10 0 ADAERN O=C(COC(=O)C1CCC1)C1CC1 393551216 573699728 /nfs/dbraw/zinc/69/97/28/573699728.db2.gz AQBCYRNWZGTMHR-UHFFFAOYSA-N 0 0 182.219 1.309 10 0 ADAERN CC1(C)CNc2ccc(CO)cc2O1 259168075 573699755 /nfs/dbraw/zinc/69/97/55/573699755.db2.gz IWOHMELNJYBAFC-UHFFFAOYSA-N 0 0 193.246 1.762 10 0 ADAERN C[C@H]1CC[C@@H](CCO)CC1=O 238483055 573700899 /nfs/dbraw/zinc/70/08/99/573700899.db2.gz GEGZJCCYPUZEPS-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN c1nc2c(n1CCC1CC1)CC[NH2+]C2 83913006 573699762 /nfs/dbraw/zinc/69/97/62/573699762.db2.gz XLGFWEYGILNFHL-UHFFFAOYSA-N 0 0 191.278 1.329 10 0 ADAERN Cc1ccc(Cl)c2[nH]c(=O)[nH]c12 238483023 573699765 /nfs/dbraw/zinc/69/97/65/573699765.db2.gz JXJKIORAOOSTPB-UHFFFAOYSA-N 0 0 182.610 1.818 10 0 ADAERN Nc1cncnc1Oc1ccccc1 86926572 573699772 /nfs/dbraw/zinc/69/97/72/573699772.db2.gz FLMCERKCIIREDS-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN C[C@@H]1CNc2c(O)cccc2NC1=O 259168130 573699776 /nfs/dbraw/zinc/69/97/76/573699776.db2.gz IYFDYYOBMZYEKV-ZCFIWIBFSA-N 0 0 192.218 1.392 10 0 ADAERN C[C@H]1C[C@@H](CO)Cc2oc(CO)cc21 197469928 573699790 /nfs/dbraw/zinc/69/97/90/573699790.db2.gz QRZQTLLLUIUELH-JGVFFNPUSA-N 0 0 196.246 1.430 10 0 ADAERN CC1(C)C[C@]2(COC(N)=N2)C(C)(C)O1 86928841 573699808 /nfs/dbraw/zinc/69/98/08/573699808.db2.gz LIAVBJWIDINGET-JTQLQIEISA-N 0 0 198.266 1.048 10 0 ADAERN O=c1ccncn1C[C@H]1CC=CCC1 402315660 573699823 /nfs/dbraw/zinc/69/98/23/573699823.db2.gz DFDGMYWUZHILAM-JTQLQIEISA-N 0 0 190.246 1.600 10 0 ADAERN Nc1cncnc1NCCC1CC1 86926350 573699838 /nfs/dbraw/zinc/69/98/38/573699838.db2.gz JJXBOBNMKQPWFD-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN C[C@]1(Cl)CCCO[C@@H]1O 238482733 573699870 /nfs/dbraw/zinc/69/98/70/573699870.db2.gz DEAFSCMNGHUCTO-WDSKDSINSA-N 0 0 150.605 1.113 10 0 ADAERN Cc1ncc(NC(=O)C(F)(F)F)o1 238482788 573699849 /nfs/dbraw/zinc/69/98/49/573699849.db2.gz CAIXABFYIFUTPB-UHFFFAOYSA-N 0 0 194.112 1.484 10 0 ADAERN O=[S@@](Cc1ncccn1)CC1CC1 308425345 573699857 /nfs/dbraw/zinc/69/98/57/573699857.db2.gz WJTIVFMYYAXXPB-CYBMUJFWSA-N 0 0 196.275 1.135 10 0 ADAERN Cc1cncc(-c2[nH]nc(N)c2C)c1 83892207 573699864 /nfs/dbraw/zinc/69/98/64/573699864.db2.gz MNTCTVUMTUGUDN-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN C/C=C/C(C)=C/[C@@H](C)O 237996412 573699996 /nfs/dbraw/zinc/69/99/96/573699996.db2.gz CRTNYFQFZHSXIZ-VZJIETKXSA-N 0 0 126.199 1.890 10 0 ADAERN Cc1cccc(C[C@@H](C)ON)c1 259557919 573699891 /nfs/dbraw/zinc/69/98/91/573699891.db2.gz WSARCKFPGLVHPK-SECBINFHSA-N 0 0 165.236 1.816 10 0 ADAERN Cc1cc(C[C@H](NN)C2CC2)cs1 393551396 573699892 /nfs/dbraw/zinc/69/98/92/573699892.db2.gz RMKQSZUUJFWTPN-JTQLQIEISA-N 0 0 196.319 1.841 10 0 ADAERN Cc1ccc(O)c2c1[C@@H]1CCO[C@H]1O2 238482704 573699906 /nfs/dbraw/zinc/69/99/06/573699906.db2.gz WRHIACRBGCVILX-CPCISQLKSA-N 0 0 192.214 1.923 10 0 ADAERN O=C([O-])CCc1cccc2c1C[NH2+]C2 257848951 573699910 /nfs/dbraw/zinc/69/99/10/573699910.db2.gz OGCQWCPKOFHELF-UHFFFAOYSA-N 0 0 191.230 1.307 10 0 ADAERN Cc1cncc(C2N=NC(=S)N2)c1 83892457 573699921 /nfs/dbraw/zinc/69/99/21/573699921.db2.gz UUBPRBUPMMTWHJ-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN CC(=O)c1nccc(-c2cc[nH]c2)n1 259165728 573699969 /nfs/dbraw/zinc/69/99/69/573699969.db2.gz TUNYHFOJLMTWJR-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN Cc1cc2c(cc1O)C(=O)OC2 238482216 573700039 /nfs/dbraw/zinc/70/00/39/573700039.db2.gz JEVAPUCOTJCTIP-UHFFFAOYSA-N 0 0 164.160 1.371 10 0 ADAERN CC1(C)C[C@]2(CNC(=O)C2)C(C)(C)O1 86928912 573700042 /nfs/dbraw/zinc/70/00/42/573700042.db2.gz WEOWVTQULDBZBO-LLVKDONJSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ccc(O)c2c1[C@H]1CCO[C@H]1O2 238482684 573700907 /nfs/dbraw/zinc/70/09/07/573700907.db2.gz WRHIACRBGCVILX-HQJQHLMTSA-N 0 0 192.214 1.923 10 0 ADAERN C[C@H]1Cc2ccc(=O)ccc2O1 238482541 573700068 /nfs/dbraw/zinc/70/00/68/573700068.db2.gz XHVXSMLWSSVHMJ-ZETCQYMHSA-N 0 0 162.188 1.370 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@@H]1C1CCCCCC1 257848093 573700098 /nfs/dbraw/zinc/70/00/98/573700098.db2.gz ODQWMYBCWJVBRG-VHSXEESVSA-N 0 0 197.278 1.629 10 0 ADAERN COc1cccc2c1OCCC(=O)N2 257848314 573700106 /nfs/dbraw/zinc/70/01/06/573700106.db2.gz ASZHULYVXKQAID-UHFFFAOYSA-N 0 0 193.202 1.416 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@H]1C1CCCCCC1 257848094 573700117 /nfs/dbraw/zinc/70/01/17/573700117.db2.gz ODQWMYBCWJVBRG-ZJUUUORDSA-N 0 0 197.278 1.629 10 0 ADAERN Nc1ncnnc1C1CCCC1 259166665 573700148 /nfs/dbraw/zinc/70/01/48/573700148.db2.gz LHKTUNIUUVWNJC-UHFFFAOYSA-N 0 0 164.212 1.111 10 0 ADAERN c1cc(NCCC2CC2)ncn1 83911215 573700156 /nfs/dbraw/zinc/70/01/56/573700156.db2.gz HZLFFIYHWJVHAD-UHFFFAOYSA-N 0 0 163.224 1.689 10 0 ADAERN Nc1cncnc1Oc1cccnc1 86926676 573700158 /nfs/dbraw/zinc/70/01/58/573700158.db2.gz JXVNJTLOBDWXSW-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN Cc1cncc(C2N=NC(=S)O2)c1 83892422 573700165 /nfs/dbraw/zinc/70/01/65/573700165.db2.gz MMLGLDXFAMIIMH-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN CCC[C@H](C)N(C)C(=O)[C@@H]1CCO1 308425517 573700215 /nfs/dbraw/zinc/70/02/15/573700215.db2.gz QYWYWIWCRXGAMS-IUCAKERBSA-N 0 0 185.267 1.422 10 0 ADAERN C[C@H](O)[C@H](C)Nc1cccc(CO)c1 238482191 573700224 /nfs/dbraw/zinc/70/02/24/573700224.db2.gz VXJKFCLUDAIYJU-IUCAKERBSA-N 0 0 195.262 1.360 10 0 ADAERN CCCCn1nc(CC)sc1=N 308424849 573700227 /nfs/dbraw/zinc/70/02/27/573700227.db2.gz VVWMWXZLMHBQME-UHFFFAOYSA-N 0 0 185.296 1.787 10 0 ADAERN Cc1ncc(N)cc1OC(F)F 238482552 573700914 /nfs/dbraw/zinc/70/09/14/573700914.db2.gz HADCQAOVPUHTPT-UHFFFAOYSA-N 0 0 174.150 1.574 10 0 ADAERN Cc1cncc(-c2nc(N)no2)c1 83892727 573700257 /nfs/dbraw/zinc/70/02/57/573700257.db2.gz HEZCRLARWXGXOB-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC[C@@H](O)[C@H](C)OCC(F)F 130759380 573700259 /nfs/dbraw/zinc/70/02/59/573700259.db2.gz QPCSIUUYBHVPSK-NTSWFWBYSA-N 0 0 168.183 1.428 10 0 ADAERN C[C@@H](Cc1ccc(O)cc1)ON 259558021 573700265 /nfs/dbraw/zinc/70/02/65/573700265.db2.gz WVELUUZLAKBXSM-ZETCQYMHSA-N 0 0 167.208 1.214 10 0 ADAERN C[C@@]1(C2CCCC2)CNC(=O)N1 238482563 573700305 /nfs/dbraw/zinc/70/03/05/573700305.db2.gz JMIRZDOMDOGJNP-VIFPVBQESA-N 0 0 168.240 1.248 10 0 ADAERN CC(C)(NC(=O)C[NH3+])C1CCCCC1 83907052 573700327 /nfs/dbraw/zinc/70/03/27/573700327.db2.gz MVHHAFZOELSACQ-UHFFFAOYSA-N 0 0 198.310 1.420 10 0 ADAERN O=C(c1cccc(F)c1)[C@H](O)C1CC1 236526104 573700336 /nfs/dbraw/zinc/70/03/36/573700336.db2.gz RRTIPGNNCJNUTC-SNVBAGLBSA-N 0 0 194.205 1.779 10 0 ADAERN C[C@]1(c2ccc(O)cc2)CNC(=O)C1 257848991 573700342 /nfs/dbraw/zinc/70/03/42/573700342.db2.gz OINKOARRMHMDSU-LLVKDONJSA-N 0 0 191.230 1.170 10 0 ADAERN O=C(c1ccco1)[C@@H](O)C1CC1 236521728 573700364 /nfs/dbraw/zinc/70/03/64/573700364.db2.gz CIRFSQFZDIBGDJ-QMMMGPOBSA-N 0 0 166.176 1.233 10 0 ADAERN O=C1CCN(CCC2CC2)C1 83895116 573700382 /nfs/dbraw/zinc/70/03/82/573700382.db2.gz JNQRJKYAFYSTND-UHFFFAOYSA-N 0 0 153.225 1.061 10 0 ADAERN CCc1ccncc1C[C@@H](C)O 259169817 573700387 /nfs/dbraw/zinc/70/03/87/573700387.db2.gz HWIIXBSCHOZKJJ-MRVPVSSYSA-N 0 0 165.236 1.567 10 0 ADAERN Cc1cccc2c1C[C@@H](CON)N2C 258088886 573700397 /nfs/dbraw/zinc/70/03/97/573700397.db2.gz HXFONLAGOIPYIA-VIFPVBQESA-N 0 0 192.262 1.246 10 0 ADAERN COc1cc(NC/C=C/CO)ccn1 717538718 573700401 /nfs/dbraw/zinc/70/04/01/573700401.db2.gz CKICIVGURIMOQK-NSCUHMNNSA-N 0 0 194.234 1.051 10 0 ADAERN Cc1ncc(O)c(C(F)F)c1CO 238483279 573700435 /nfs/dbraw/zinc/70/04/35/573700435.db2.gz WNYZPYVNAKPLPX-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN C[C@@H]1C[C@H](O)CC2(CCCC2)O1 238482755 573700443 /nfs/dbraw/zinc/70/04/43/573700443.db2.gz MJRCFKJBDJSTQB-BDAKNGLRSA-N 0 0 170.252 1.859 10 0 ADAERN CC[C@@H](CO)Nc1cncc(NC)c1 122123389 573700454 /nfs/dbraw/zinc/70/04/54/573700454.db2.gz XUDBPMCKZWBHRK-QMMMGPOBSA-N 0 0 195.266 1.306 10 0 ADAERN Cc1ccccc1[C@H]1NCCCC1=O 258886494 573700928 /nfs/dbraw/zinc/70/09/28/573700928.db2.gz NAYHDENDALNWPB-GFCCVEGCSA-N 0 0 189.258 1.989 10 0 ADAERN C[C@@H](O)[C@H]1CC(C)(C)OC1(C)C 86928405 573700501 /nfs/dbraw/zinc/70/05/01/573700501.db2.gz VKJXVNDXLRMJDV-HTQZYQBOSA-N 0 0 172.268 1.961 10 0 ADAERN Cc1c(N)n[nH]c1C[C@@H]1CC[C@H]2C[C@@H]12 717538358 573700509 /nfs/dbraw/zinc/70/05/09/573700509.db2.gz SAYKFBXQOFSHBQ-XHNCKOQMSA-N 0 0 191.278 1.889 10 0 ADAERN C[N@H+]1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21 75835119 573700514 /nfs/dbraw/zinc/70/05/14/573700514.db2.gz UAWZDWSFCINKFK-IWSPIJDZSA-N 0 0 183.251 1.334 10 0 ADAERN O[C@H](c1ccco1)[C@@H](O)C1CC1 236523562 573700518 /nfs/dbraw/zinc/70/05/18/573700518.db2.gz QUDGYWIUQOEZRE-DTWKUNHWSA-N 0 0 168.192 1.084 10 0 ADAERN CC1=NN(CC(C)C)C(C)C1=O 83893132 573700522 /nfs/dbraw/zinc/70/05/22/573700522.db2.gz SMACWZZCJWHOOJ-UHFFFAOYSA-N 0 0 168.240 1.862 10 0 ADAERN CC[C@H]1CCCC[C@H]1N1CNCC1=O 122126674 573700548 /nfs/dbraw/zinc/70/05/48/573700548.db2.gz RTRBJKWHIZHCIM-VHSXEESVSA-N 0 0 196.294 1.345 10 0 ADAERN OCCc1cc(O)c(F)cc1F 258099816 573700551 /nfs/dbraw/zinc/70/05/51/573700551.db2.gz XQSJSRQBTMYPRD-UHFFFAOYSA-N 0 0 174.146 1.205 10 0 ADAERN OC[C@H]1CCN2c3ccccc3C[C@@H]12 257848965 573701434 /nfs/dbraw/zinc/70/14/34/573701434.db2.gz OHEVPYWPSCZXES-PWSUYJOCSA-N 0 0 189.258 1.430 10 0 ADAERN Cc1nn(C)c2c1[C@@H](O)C[C@@H](C)S2 238483198 573700591 /nfs/dbraw/zinc/70/05/91/573700591.db2.gz JWYAATSCMPSNDQ-VDTYLAMSSA-N 0 0 198.291 1.646 10 0 ADAERN CC(C)C[C@@H](C)Oc1ncncc1N 86926623 573700615 /nfs/dbraw/zinc/70/06/15/573700615.db2.gz SLPNUXHKFPIANG-MRVPVSSYSA-N 0 0 195.266 1.872 10 0 ADAERN C[C@@](F)(c1ccccc1)[C@H]([NH3+])C(=O)[O-] 238483340 573700641 /nfs/dbraw/zinc/70/06/41/573700641.db2.gz ZGLZJRYDTCHBNC-PSASIEDQSA-N 0 0 197.209 1.283 10 0 ADAERN OCc1cn(C/C=C/Cl)cn1 236516571 573701439 /nfs/dbraw/zinc/70/14/39/573701439.db2.gz HQTFLNBVYUPIAW-OWOJBTEDSA-N 0 0 172.615 1.128 10 0 ADAERN C[C@@H]1CCCC(C)(C)[C@H]1C(N)=O 224562463 573700669 /nfs/dbraw/zinc/70/06/69/573700669.db2.gz GDLXVCBSBYSEGS-HTQZYQBOSA-N 0 0 169.268 1.934 10 0 ADAERN C[C@@H]1CSC(NCCC2CC2)=[NH+]1 83911707 573700686 /nfs/dbraw/zinc/70/06/86/573700686.db2.gz SZPUHQNTBAFSAC-SSDOTTSWSA-N 0 0 184.308 1.867 10 0 ADAERN C[C@H]1CN(c2ncncc2N)C[C@@H]1C 86926444 573700691 /nfs/dbraw/zinc/70/06/91/573700691.db2.gz BRAQWFXDIIMAPU-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN NNCNc1cccc2ccccc12 259166611 573700706 /nfs/dbraw/zinc/70/07/06/573700706.db2.gz UGFDDHJBEOOVIL-UHFFFAOYSA-N 0 0 187.246 1.673 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])C(C)(C)C)C(=O)[O-] 259171389 573700713 /nfs/dbraw/zinc/70/07/13/573700713.db2.gz DYNXZQRLPZGOQY-NKWVEPMBSA-N 0 0 173.256 1.471 10 0 ADAERN CCC(=O)[C@@H](C)N1C[C@@H](C)OC[C@@H]1C 224480600 573700723 /nfs/dbraw/zinc/70/07/23/573700723.db2.gz RBWAVFBSCSNORT-IVZWLZJFSA-N 0 0 199.294 1.463 10 0 ADAERN OCc1cc(F)cnc1N1CCCC1 236519700 573701511 /nfs/dbraw/zinc/70/15/11/573701511.db2.gz QYVGIHCQLHRFKQ-UHFFFAOYSA-N 0 0 196.225 1.313 10 0 ADAERN Cc1ncc(O)c(C(F)F)c1C=O 238483165 573701496 /nfs/dbraw/zinc/70/14/96/573701496.db2.gz ZJSSHYIOIPFHAF-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CC=CC1=NC(=S)N[C@@H](C)C1C 237997302 573700938 /nfs/dbraw/zinc/70/09/38/573700938.db2.gz YQQFDADCQOTLHE-KPJROHGDSA-N 0 0 182.292 1.703 10 0 ADAERN Cc1nccc([C@H]2NCCS2)n1 124909996 573700949 /nfs/dbraw/zinc/70/09/49/573700949.db2.gz FIKSERPEZRPFFV-QMMMGPOBSA-N 0 0 181.264 1.120 10 0 ADAERN CNc1nc(-c2ccncc2)c[nH]1 259168795 573700953 /nfs/dbraw/zinc/70/09/53/573700953.db2.gz UZTLEWMQXKTVJY-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN OCc1cc([C@@H]2CCCCO2)on1 257848303 573700966 /nfs/dbraw/zinc/70/09/66/573700966.db2.gz ASTNXZNJVUMBEP-QMMMGPOBSA-N 0 0 183.207 1.409 10 0 ADAERN Cc1cc2c(cc1N)OCOC2 238482275 573700980 /nfs/dbraw/zinc/70/09/80/573700980.db2.gz WXKZBICEQNLZGF-UHFFFAOYSA-N 0 0 165.192 1.444 10 0 ADAERN C[C@H](O)[C@H]1CC(C)(C)OC1(C)C 86928403 573701004 /nfs/dbraw/zinc/70/10/04/573701004.db2.gz VKJXVNDXLRMJDV-JGVFFNPUSA-N 0 0 172.268 1.961 10 0 ADAERN Nc1nc(C=O)nc2c1CCCCC2 257848115 573701005 /nfs/dbraw/zinc/70/10/05/573701005.db2.gz OEBRZTLULVZQCQ-UHFFFAOYSA-N 0 0 191.234 1.140 10 0 ADAERN C[C@H]1[NH2+][C@H](CC(=O)[O-])C(C)(C)S1 238482820 573701014 /nfs/dbraw/zinc/70/10/14/573701014.db2.gz KGPACEMKKNYZRY-NTSWFWBYSA-N 0 0 189.280 1.291 10 0 ADAERN C/C=C/C[N@H+]1CCC[C@@]1(CC)C(=O)[O-] 215688011 573701020 /nfs/dbraw/zinc/70/10/20/573701020.db2.gz HURVNBUDEXUPLB-TZNOJPMFSA-N 0 0 197.278 1.892 10 0 ADAERN C/C=C/C=C/C(=O)NC(F)(F)F 237999643 573701021 /nfs/dbraw/zinc/70/10/21/573701021.db2.gz SNOAMOZMNVOBGV-MQQKCMAXSA-N 0 0 179.141 1.755 10 0 ADAERN CNc1cncc(NC(C)(C)CO)c1 122124640 573701061 /nfs/dbraw/zinc/70/10/61/573701061.db2.gz RJKNFQXEDDAIRG-UHFFFAOYSA-N 0 0 195.266 1.306 10 0 ADAERN CC1(C)C[C@@]2(CC(=O)N2)C(C)(C)O1 86928746 573701063 /nfs/dbraw/zinc/70/10/63/573701063.db2.gz HOOGKKYGLQALGA-JTQLQIEISA-N 0 0 183.251 1.223 10 0 ADAERN OCc1cn([C@@H]2C=CCCC2)cn1 236508569 573701074 /nfs/dbraw/zinc/70/10/74/573701074.db2.gz HVOZYYXQGYOTEK-SNVBAGLBSA-N 0 0 178.235 1.657 10 0 ADAERN c1ccc(Cn2cnc3c2CNC3)cc1 237998257 573701099 /nfs/dbraw/zinc/70/10/99/573701099.db2.gz ZWVJIWYQRHMBTN-UHFFFAOYSA-N 0 0 199.257 1.535 10 0 ADAERN Cc1ccc(CNO)c(C)c1O 258099826 573701112 /nfs/dbraw/zinc/70/11/12/573701112.db2.gz XRCOEQVGDRJSAX-UHFFFAOYSA-N 0 0 167.208 1.488 10 0 ADAERN C[C@@H](O)CCCCOCC(F)F 130756349 573701125 /nfs/dbraw/zinc/70/11/25/573701125.db2.gz DLNGOSIADHKFCJ-SSDOTTSWSA-N 0 0 182.210 1.819 10 0 ADAERN CC1(C)OC(C)(C)c2[nH]c(CO)nc21 86927931 573701165 /nfs/dbraw/zinc/70/11/65/573701165.db2.gz TXUTVLZRSMFKPP-UHFFFAOYSA-N 0 0 196.250 1.402 10 0 ADAERN OCCc1cnc(-c2ccccn2)o1 258099560 573701175 /nfs/dbraw/zinc/70/11/75/573701175.db2.gz NJQNAZRSPKNPTD-UHFFFAOYSA-N 0 0 190.202 1.271 10 0 ADAERN C[C@H]1Cc2cc(O)ccc2C(=O)O1 238482308 573701186 /nfs/dbraw/zinc/70/11/86/573701186.db2.gz GSASJOWNCIINEK-LURJTMIESA-N 0 0 178.187 1.494 10 0 ADAERN COc1ccccc1[C@H]1CC(=O)NO1 257848049 573701189 /nfs/dbraw/zinc/70/11/89/573701189.db2.gz OCQGQQHAAKBNAM-SECBINFHSA-N 0 0 193.202 1.188 10 0 ADAERN CCC[C@H](C)N(C)C(=O)[C@H]1CCO1 308425516 573701203 /nfs/dbraw/zinc/70/12/03/573701203.db2.gz QYWYWIWCRXGAMS-DTWKUNHWSA-N 0 0 185.267 1.422 10 0 ADAERN Cc1ccc(O)c2c1C1(CC1)C(=O)N2 238482658 573701206 /nfs/dbraw/zinc/70/12/06/573701206.db2.gz FODOMLZHFVPWRI-UHFFFAOYSA-N 0 0 189.214 1.684 10 0 ADAERN Cc1nc(Cl)c2nnc(C)n2c1C 83942296 573701417 /nfs/dbraw/zinc/70/14/17/573701417.db2.gz PGFIZSSEKRTWTF-UHFFFAOYSA-N 0 0 196.641 1.703 10 0 ADAERN O=C(CC1CC1)[C@@H](O)C1CC1 236519586 573701252 /nfs/dbraw/zinc/70/12/52/573701252.db2.gz MAJUVPQYDYNOSI-VIFPVBQESA-N 0 0 154.209 1.127 10 0 ADAERN C[C@@H]1C[C@H](O)c2ccccc2C1=O 238483330 573701256 /nfs/dbraw/zinc/70/12/56/573701256.db2.gz WGFFQEIRRUCJFH-XCBNKYQSSA-N 0 0 176.215 1.943 10 0 ADAERN Cc1nccc([C@@H]2NC[C@H](C)S2)n1 124911038 573701276 /nfs/dbraw/zinc/70/12/76/573701276.db2.gz PDKFPTNZRAYWRE-IMTBSYHQSA-N 0 0 195.291 1.509 10 0 ADAERN C/C=C/C(Br)=C/CO 237995587 573701301 /nfs/dbraw/zinc/70/13/01/573701301.db2.gz NVMGKLRNPPDOGI-ZPYFUIHZSA-N 0 0 177.041 1.834 10 0 ADAERN Cn1ccc(-c2ncc(CO)s2)n1 83943001 573701312 /nfs/dbraw/zinc/70/13/12/573701312.db2.gz HJCYYCAGMOAGRF-UHFFFAOYSA-N 0 0 195.247 1.036 10 0 ADAERN CCCN(C)c1cncc(NC)c1 122102163 573701329 /nfs/dbraw/zinc/70/13/29/573701329.db2.gz MXDMREAYMCMVKI-UHFFFAOYSA-N 0 0 179.267 1.970 10 0 ADAERN C[C@H]1Cc2ccc(C(=O)[O-])cc2C[NH2+]1 238482724 573701332 /nfs/dbraw/zinc/70/13/32/573701332.db2.gz MWIZLSJVXNHZOA-ZETCQYMHSA-N 0 0 191.230 1.419 10 0 ADAERN O[C@@H](c1ccsc1)[C@@H](O)C1CC1 236522797 573701352 /nfs/dbraw/zinc/70/13/52/573701352.db2.gz SHGNJPWTIGIRAC-IUCAKERBSA-N 0 0 184.260 1.552 10 0 ADAERN C[C@H]1Cc2cc(O)ccc2OC1=O 238482357 573701363 /nfs/dbraw/zinc/70/13/63/573701363.db2.gz WFKDEURDYFOPHC-LURJTMIESA-N 0 0 178.187 1.490 10 0 ADAERN C[NH+]1CCC(CCF)(C(=O)[O-])CC1 75824234 573701367 /nfs/dbraw/zinc/70/13/67/573701367.db2.gz MDPSXISQHNFKEE-UHFFFAOYSA-N 0 0 189.230 1.143 10 0 ADAERN CC[C@H](NN)c1cccc(N(C)C)c1 126865625 573701444 /nfs/dbraw/zinc/70/14/44/573701444.db2.gz KMCWNVONJDTISC-NSHDSACASA-N 0 0 193.294 1.667 10 0 ADAERN C[C@H]1CNC(=O)N1c1ccc(O)cc1 257848955 573701447 /nfs/dbraw/zinc/70/14/47/573701447.db2.gz OGIMWFNFPNUJFC-ZETCQYMHSA-N 0 0 192.218 1.310 10 0 ADAERN Nc1cc(Cc2ccccc2O)on1 257848234 573701454 /nfs/dbraw/zinc/70/14/54/573701454.db2.gz APJBIURIUKAAED-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN CC1(C)C[C@@]2(COC(N)=N2)C(C)(C)O1 86928839 573701471 /nfs/dbraw/zinc/70/14/71/573701471.db2.gz LIAVBJWIDINGET-SNVBAGLBSA-N 0 0 198.266 1.048 10 0 ADAERN OCc1ccoc1Br 236516105 573701473 /nfs/dbraw/zinc/70/14/73/573701473.db2.gz FMQXOVGVQXEPAG-UHFFFAOYSA-N 0 0 176.997 1.534 10 0 ADAERN OCc1cnc([C@H]2CCOC2)s1 83942778 573701474 /nfs/dbraw/zinc/70/14/74/573701474.db2.gz DASQSACTSBFYFV-LURJTMIESA-N 0 0 185.248 1.139 10 0 ADAERN Cc1cnc2c(c1)O[C@H](C)C(=O)N2 259171345 573701481 /nfs/dbraw/zinc/70/14/81/573701481.db2.gz KWJMXRKXZSCEBM-ZCFIWIBFSA-N 0 0 178.191 1.109 10 0 ADAERN OCc1cnc(-c2cnccn2)s1 83943183 573701483 /nfs/dbraw/zinc/70/14/83/573701483.db2.gz ZPKRDRKSWFFRCJ-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN CC(C)(O)C1CC(F)C1 257849262 573705376 /nfs/dbraw/zinc/70/53/76/573705376.db2.gz RBPJBVOOJMCDKJ-UHFFFAOYSA-N 0 0 132.178 1.505 10 0 ADAERN Cc1nccc([C@@H]2NCCS2)n1 124909762 573701547 /nfs/dbraw/zinc/70/15/47/573701547.db2.gz FIKSERPEZRPFFV-MRVPVSSYSA-N 0 0 181.264 1.120 10 0 ADAERN CCC[C@@H](C)N(C)C(=O)[C@@H]1CCO1 308425515 573701561 /nfs/dbraw/zinc/70/15/61/573701561.db2.gz QYWYWIWCRXGAMS-BDAKNGLRSA-N 0 0 185.267 1.422 10 0 ADAERN CO[C@H](C)c1ccccc1CNO 259557721 573701562 /nfs/dbraw/zinc/70/15/62/573701562.db2.gz WGIIRSXJHDVRLA-MRVPVSSYSA-N 0 0 181.235 1.873 10 0 ADAERN OCc1cc(F)cc(-n2ccnc2)c1 236508455 573701604 /nfs/dbraw/zinc/70/16/04/573701604.db2.gz ZDHZJMRMCLDPSZ-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN CNc1nc(C)c(C)nc1Cl 83941295 573701605 /nfs/dbraw/zinc/70/16/05/573701605.db2.gz WLTZBTLDEXZOAC-UHFFFAOYSA-N 0 0 171.631 1.789 10 0 ADAERN CC1(C)C[C@@H]2C[NH2+]C[C@H](C1)C2C(=O)[O-] 257848799 573701615 /nfs/dbraw/zinc/70/16/15/573701615.db2.gz DJIDTIFYOQLMEC-JVHMLUBASA-N 0 0 197.278 1.343 10 0 ADAERN CC(C)(O)S(=O)(=O)C1CCCC1 259169508 573701618 /nfs/dbraw/zinc/70/16/18/573701618.db2.gz HMHYKTINQSFIII-UHFFFAOYSA-N 0 0 192.280 1.072 10 0 ADAERN CNc1nc(Br)cn1C 257848494 573701623 /nfs/dbraw/zinc/70/16/23/573701623.db2.gz AYQITLFMNVMFPK-UHFFFAOYSA-N 0 0 190.044 1.224 10 0 ADAERN O=C(C1CCCC1)[C@H](O)C1CC1 236524845 573701631 /nfs/dbraw/zinc/70/16/31/573701631.db2.gz KMTDRTAEQQTVMO-SNVBAGLBSA-N 0 0 168.236 1.517 10 0 ADAERN COC(=O)CN(C)CC=C1CCC1 308424854 573701643 /nfs/dbraw/zinc/70/16/43/573701643.db2.gz QLYNYTXFPVCLLG-UHFFFAOYSA-N 0 0 183.251 1.202 10 0 ADAERN Nc1cncnc1OCc1ccco1 86926540 573701645 /nfs/dbraw/zinc/70/16/45/573701645.db2.gz MDZVEGPRIWTHTE-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN C/C=C(\CC)C(=O)OCCC(C)=O 393552068 573701652 /nfs/dbraw/zinc/70/16/52/573701652.db2.gz SWQRHJULLFJOHH-RUDMXATFSA-N 0 0 184.235 1.865 10 0 ADAERN Cc1c(F)c(F)cc(CO)c1F 238482128 573701656 /nfs/dbraw/zinc/70/16/56/573701656.db2.gz SHHJLRDMDRJWMV-UHFFFAOYSA-N 0 0 176.137 1.905 10 0 ADAERN OCc1cccc(F)c1-n1cccn1 236505990 573701660 /nfs/dbraw/zinc/70/16/60/573701660.db2.gz QHKAUSKPHJOPCP-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN CSC[C@H](O)CCC1CC1 83936518 573701692 /nfs/dbraw/zinc/70/16/92/573701692.db2.gz SNEOOSWACSOPRY-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN CCc1ccncc1C[C@H](C)O 259169819 573701716 /nfs/dbraw/zinc/70/17/16/573701716.db2.gz HWIIXBSCHOZKJJ-QMMMGPOBSA-N 0 0 165.236 1.567 10 0 ADAERN CCO[C@@H](C)[C@H](O)Cc1ccoc1 130760572 573701718 /nfs/dbraw/zinc/70/17/18/573701718.db2.gz REBHLNBCBVMKGQ-WCBMZHEXSA-N 0 0 184.235 1.608 10 0 ADAERN OCc1cnc([C@@H]2CCOC2)s1 83942775 573701725 /nfs/dbraw/zinc/70/17/25/573701725.db2.gz DASQSACTSBFYFV-ZCFIWIBFSA-N 0 0 185.248 1.139 10 0 ADAERN O[C@@H](C1=CCCO1)C1(O)CCCCC1 236518777 573701729 /nfs/dbraw/zinc/70/17/29/573701729.db2.gz OBFKIKMFCRTMCS-JTQLQIEISA-N 0 0 198.262 1.347 10 0 ADAERN O[C@@H]1CCC[C@H]1Sc1ncco1 236522890 573701740 /nfs/dbraw/zinc/70/17/40/573701740.db2.gz SHJQZOZHGXHVFS-RNFRBKRXSA-N 0 0 185.248 1.680 10 0 ADAERN C[C@H]1Cc2cc(O)ccc2O[C@@H]1O 238482389 573701755 /nfs/dbraw/zinc/70/17/55/573701755.db2.gz PUOHEVQWNCBHTK-WKEGUHRASA-N 0 0 180.203 1.282 10 0 ADAERN Cc1cc2c(c(C)c1C=O)C(=O)OC2 238482114 573701775 /nfs/dbraw/zinc/70/17/75/573701775.db2.gz MNQJMRKYSKBQNY-UHFFFAOYSA-N 0 0 190.198 1.786 10 0 ADAERN OCc1cccc(F)c1-n1ccnc1 236505997 573701819 /nfs/dbraw/zinc/70/18/19/573701819.db2.gz OYVWNBPORORIEI-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN C[C@]1(Cl)CC=NC(=S)N1 238482331 573701822 /nfs/dbraw/zinc/70/18/22/573701822.db2.gz YZTAFRIWRNCZHN-RXMQYKEDSA-N 0 0 162.645 1.344 10 0 ADAERN CC(C)CN(C)c1cncc(N)c1 122102957 573701825 /nfs/dbraw/zinc/70/18/25/573701825.db2.gz RBJJXQRWOAAVDG-UHFFFAOYSA-N 0 0 179.267 1.756 10 0 ADAERN C[C@H]1CNc2c(O)cccc2NC1=O 259168129 573701856 /nfs/dbraw/zinc/70/18/56/573701856.db2.gz IYFDYYOBMZYEKV-LURJTMIESA-N 0 0 192.218 1.392 10 0 ADAERN CCOC(=O)N(CC)[C@H](C)OC 39139215 573701860 /nfs/dbraw/zinc/70/18/60/573701860.db2.gz XEVUSERCVWAONB-ZETCQYMHSA-N 0 0 175.228 1.457 10 0 ADAERN Cc1ccn(CCC2CC2)n1 83940561 573701863 /nfs/dbraw/zinc/70/18/63/573701863.db2.gz QFAJOZFZHDADER-UHFFFAOYSA-N 0 0 150.225 1.992 10 0 ADAERN CCn1nc(C)cc1[C@@H](NN)C(C)C 126812988 573701873 /nfs/dbraw/zinc/70/18/73/573701873.db2.gz QOUUNMYAELOLKG-JTQLQIEISA-N 0 0 196.298 1.372 10 0 ADAERN OC[C@H]1CCN2c3ccccc3C[C@H]12 257848966 573701893 /nfs/dbraw/zinc/70/18/93/573701893.db2.gz OHEVPYWPSCZXES-ZYHUDNBSSA-N 0 0 189.258 1.430 10 0 ADAERN C[C@H]1[NH2+]CCc2ccc(C(=O)[O-])cc21 75817529 573701913 /nfs/dbraw/zinc/70/19/13/573701913.db2.gz OSNDSXBGYACZQG-SSDOTTSWSA-N 0 0 191.230 1.592 10 0 ADAERN C[C@H]1C[C@@H]1c1ncc(CO)s1 83943123 573703176 /nfs/dbraw/zinc/70/31/76/573703176.db2.gz FAXJLKVRUQNMNE-FSPLSTOPSA-N 0 0 169.249 1.759 10 0 ADAERN Cc1cc(=O)n2c(n1)CCC[C@@H]2C 238483271 573701925 /nfs/dbraw/zinc/70/19/25/573701925.db2.gz MKOIWBUIDMPUOY-QMMMGPOBSA-N 0 0 178.235 1.346 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)c1cncc(F)c1 236523607 573702286 /nfs/dbraw/zinc/70/22/86/573702286.db2.gz IKUAWATZQMWPMW-VHSXEESVSA-N 0 0 197.209 1.025 10 0 ADAERN Cc1ncc(O)c(C(F)F)c1N 238483354 573701972 /nfs/dbraw/zinc/70/19/72/573701972.db2.gz QAJVLLXVDZLUPY-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CN(c1cncc(N)c1)C1CC1 122095465 573701973 /nfs/dbraw/zinc/70/19/73/573701973.db2.gz YMXNFLZUPRPQFK-UHFFFAOYSA-N 0 0 163.224 1.262 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+][C@@H]1CC12CC2 715330003 573701975 /nfs/dbraw/zinc/70/19/75/573701975.db2.gz PZQTXMAMJDDWCF-HTQZYQBOSA-N 0 0 183.251 1.382 10 0 ADAERN CC1(C)C[C@]2(CC(=O)N2)C(C)(C)O1 86928748 573702001 /nfs/dbraw/zinc/70/20/01/573702001.db2.gz HOOGKKYGLQALGA-SNVBAGLBSA-N 0 0 183.251 1.223 10 0 ADAERN O=C(c1cncc(F)c1)[C@@H](O)C1CC1 236521783 573702002 /nfs/dbraw/zinc/70/20/02/573702002.db2.gz CYMYTITVBVNLSU-VIFPVBQESA-N 0 0 195.193 1.174 10 0 ADAERN OCc1ncoc1-c1cncs1 236519696 573702011 /nfs/dbraw/zinc/70/20/11/573702011.db2.gz MYHDDJHLRBTZEK-UHFFFAOYSA-N 0 0 182.204 1.290 10 0 ADAERN C[C@H]1Cc2ccc(C(N)=O)cc2N1 238482701 573702012 /nfs/dbraw/zinc/70/20/12/573702012.db2.gz BAEXHJWHNWDQER-LURJTMIESA-N 0 0 176.219 1.142 10 0 ADAERN O[C@@H](C1CC1)[C@@H](O)c1ccco1 236522751 573702030 /nfs/dbraw/zinc/70/20/30/573702030.db2.gz QUDGYWIUQOEZRE-IUCAKERBSA-N 0 0 168.192 1.084 10 0 ADAERN Nc1cncnc1N[C@H]1CC=CCC1 86926370 573702035 /nfs/dbraw/zinc/70/20/35/573702035.db2.gz JZJWMQNJHNIFFM-QMMMGPOBSA-N 0 0 190.250 1.579 10 0 ADAERN O[C@@H](C1CC1)[C@@H](O)c1cccs1 236522758 573702097 /nfs/dbraw/zinc/70/20/97/573702097.db2.gz HSVJEOQGGDXMBZ-IUCAKERBSA-N 0 0 184.260 1.552 10 0 ADAERN NOC[C@@H]1CNc2ccccc21 258088872 573702101 /nfs/dbraw/zinc/70/21/01/573702101.db2.gz HWAKYXMPCRFVMT-ZETCQYMHSA-N 0 0 164.208 1.086 10 0 ADAERN C[C@@](F)(c1ccccc1)[C@@H]([NH3+])C(=O)[O-] 238483294 573702105 /nfs/dbraw/zinc/70/21/05/573702105.db2.gz ZGLZJRYDTCHBNC-WCBMZHEXSA-N 0 0 197.209 1.283 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(CO)cs1 83942547 573702130 /nfs/dbraw/zinc/70/21/30/573702130.db2.gz NPJCYQJWZNMIFJ-VDTYLAMSSA-N 0 0 169.249 1.759 10 0 ADAERN Cc1coc(C(=O)c2nccn2C)c1 716111031 573702131 /nfs/dbraw/zinc/70/21/31/573702131.db2.gz ANPAKHIMYIUFFH-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN OCc1cn([C@H]2C=CCCC2)cn1 236508506 573702135 /nfs/dbraw/zinc/70/21/35/573702135.db2.gz HVOZYYXQGYOTEK-JTQLQIEISA-N 0 0 178.235 1.657 10 0 ADAERN C[C@@H](c1cc(C(=O)[O-])n(C)c1)[NH+](C)C 257848950 573702143 /nfs/dbraw/zinc/70/21/43/573702143.db2.gz OFYSKUZRAUKZLH-ZETCQYMHSA-N 0 0 196.250 1.346 10 0 ADAERN C[C@H](O)[C@H](C)O[C@@H]1CCCCO1 238482528 573702297 /nfs/dbraw/zinc/70/22/97/573702297.db2.gz IOWUYQJACNXIJR-XHNCKOQMSA-N 0 0 174.240 1.299 10 0 ADAERN Cc1ccc(Cl)c2c1C(=O)NC2 238482618 573702169 /nfs/dbraw/zinc/70/21/69/573702169.db2.gz QTZWMEFSKUUXDG-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN c1cc2c3c(ccc2[nH]1)CNO3 237998608 573702174 /nfs/dbraw/zinc/70/21/74/573702174.db2.gz FCTZQFXPPLRRNV-UHFFFAOYSA-N 0 0 160.176 1.565 10 0 ADAERN COc1nc([C@H](NN)C2CC2)cs1 393552048 573702175 /nfs/dbraw/zinc/70/21/75/573702175.db2.gz STPMSDGBFPXGCA-SSDOTTSWSA-N 0 0 199.279 1.066 10 0 ADAERN O[C@@H](CN1CC2(CC2)C1)C(F)(F)F 236524192 573702181 /nfs/dbraw/zinc/70/21/81/573702181.db2.gz WRRRGUJKESDLLB-LURJTMIESA-N 0 0 195.184 1.005 10 0 ADAERN CC[C@@H](NN)c1cccc(N(C)C)c1 126865852 573702301 /nfs/dbraw/zinc/70/23/01/573702301.db2.gz KMCWNVONJDTISC-LLVKDONJSA-N 0 0 193.294 1.667 10 0 ADAERN CC1(C)C[C@@]2(CNC(=O)O2)C(C)(C)O1 86928851 573702194 /nfs/dbraw/zinc/70/21/94/573702194.db2.gz ZFYHIBPXKPHDAW-SNVBAGLBSA-N 0 0 199.250 1.443 10 0 ADAERN CCCOCc1ncc(CO)s1 83942952 573702198 /nfs/dbraw/zinc/70/21/98/573702198.db2.gz QZMWFKMQUNATMF-UHFFFAOYSA-N 0 0 187.264 1.562 10 0 ADAERN C[C@@]1(C2CCC(=O)CC2)CO1 238482536 573702199 /nfs/dbraw/zinc/70/21/99/573702199.db2.gz YMUSPPUGONXPLK-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN CCc1c(CCO)cccc1OC 258102025 573702204 /nfs/dbraw/zinc/70/22/04/573702204.db2.gz XXOZZIJSHXUCGJ-UHFFFAOYSA-N 0 0 180.247 1.792 10 0 ADAERN Cc1ccn2c(C3CC3)nnc2c1 258088990 573702222 /nfs/dbraw/zinc/70/22/22/573702222.db2.gz FHWIFVHGEOJBQH-UHFFFAOYSA-N 0 0 173.219 1.915 10 0 ADAERN C[C@]1(Cl)CC(Cl)=CNC1=O 238482353 573702238 /nfs/dbraw/zinc/70/22/38/573702238.db2.gz HUWROOHPRMQRQV-LURJTMIESA-N 0 0 180.034 1.584 10 0 ADAERN C[C@]1(Cl)CCCO[C@H]1O 238482769 573702248 /nfs/dbraw/zinc/70/22/48/573702248.db2.gz DEAFSCMNGHUCTO-RITPCOANSA-N 0 0 150.605 1.113 10 0 ADAERN C[C@@]1(c2ccc(O)cc2)CNC(=O)C1 257848992 573702259 /nfs/dbraw/zinc/70/22/59/573702259.db2.gz OINKOARRMHMDSU-NSHDSACASA-N 0 0 191.230 1.170 10 0 ADAERN CC[C@H]1CCCC[C@@H]1N1CNCC1=O 122126183 573702308 /nfs/dbraw/zinc/70/23/08/573702308.db2.gz RTRBJKWHIZHCIM-UWVGGRQHSA-N 0 0 196.294 1.345 10 0 ADAERN C[C@H]1C[C@@](O)(c2ccco2)CS1 86939384 573703501 /nfs/dbraw/zinc/70/35/01/573703501.db2.gz GHCMTQMWXYLHNX-CBAPKCEASA-N 0 0 184.260 1.993 10 0 ADAERN C[C@H]1CCCC(=O)[C@@H](O)C1 238483734 573703184 /nfs/dbraw/zinc/70/31/84/573703184.db2.gz YLSSSHXSAMASMR-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN Cc1cnn([C@H]2CS[C@H](C)C2)c1N 86936473 573703512 /nfs/dbraw/zinc/70/35/12/573703512.db2.gz NCTBIICEPWXRGC-HTQZYQBOSA-N 0 0 197.307 1.840 10 0 ADAERN O=C(CCC1CC1)[C@H]1CCCO1 83935959 573703515 /nfs/dbraw/zinc/70/35/15/573703515.db2.gz PIXSTLPRKAVSKA-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN O=C([O-])[C@H]1CC=C([NH+]2CCCC2)CC1 108240436 573703209 /nfs/dbraw/zinc/70/32/09/573703209.db2.gz FMTFICDUXAWMBY-VIFPVBQESA-N 0 0 195.262 1.851 10 0 ADAERN CCO[P@](C)(=O)C[C@@H](C)C(N)=O 238312093 573703524 /nfs/dbraw/zinc/70/35/24/573703524.db2.gz OFDQRVUTBSPODH-INWYIAFRSA-N 0 0 193.183 1.052 10 0 ADAERN Cc1nc([C@@H](C)[C@H](C)O)nc(N)c1C 238483357 573703122 /nfs/dbraw/zinc/70/31/22/573703122.db2.gz IDUWXFHYUXZNAK-XPUUQOCRSA-N 0 0 195.266 1.160 10 0 ADAERN CC(C)(O)c1nc2cnccc2s1 75845971 573703130 /nfs/dbraw/zinc/70/31/30/573703130.db2.gz KNHKTJCPYQOQAY-UHFFFAOYSA-N 0 0 194.259 1.919 10 0 ADAERN C[C@@]1(C=C=O)C(=O)CC12CCCC2 238483407 573703133 /nfs/dbraw/zinc/70/31/33/573703133.db2.gz JYHMYARCAIQEGZ-SNVBAGLBSA-N 0 0 178.231 1.914 10 0 ADAERN CCOCc1nc(C)c[nH]1 257849445 573703139 /nfs/dbraw/zinc/70/31/39/573703139.db2.gz BDWDQTOZUMKRQH-UHFFFAOYSA-N 0 0 140.186 1.255 10 0 ADAERN C[C@H]1C[C@H](Nc2cnn(C)c2)CS1 86934827 573703144 /nfs/dbraw/zinc/70/31/44/573703144.db2.gz LCMNMGOCFRJMIO-YUMQZZPRSA-N 0 0 197.307 1.726 10 0 ADAERN C[C@@H]1C[C@H](O)c2ccccc2[C@@H]1O 238483381 573703147 /nfs/dbraw/zinc/70/31/47/573703147.db2.gz NKBRGEQDOWUGNI-PPKCKEKNSA-N 0 0 178.231 1.793 10 0 ADAERN O=Cc1nnc2oc3ccccc3n12 75844275 573703148 /nfs/dbraw/zinc/70/31/48/573703148.db2.gz VUWHDURVXRGZPG-UHFFFAOYSA-N 0 0 187.158 1.288 10 0 ADAERN O[C@@H](C1CC1)C1(O)CCCC1 236522115 573703150 /nfs/dbraw/zinc/70/31/50/573703150.db2.gz HRXLFSHAMAINMP-QMMMGPOBSA-N 0 0 156.225 1.062 10 0 ADAERN CC(C)=C[C@]1(O)CCSC1 86938277 573703173 /nfs/dbraw/zinc/70/31/73/573703173.db2.gz OSLREDUDSTZEQM-MRVPVSSYSA-N 0 0 158.266 1.821 10 0 ADAERN C=C1NC(=O)c2cc3c(cc21)OCO3 238017115 573703231 /nfs/dbraw/zinc/70/32/31/573703231.db2.gz POEHQUAKVOWNJU-UHFFFAOYSA-N 0 0 189.170 1.129 10 0 ADAERN Cc1nccc([C@H]2N[C@H](C)CS2)n1 124912660 573703250 /nfs/dbraw/zinc/70/32/50/573703250.db2.gz QKCJODQQEFVCGM-MUWHJKNJSA-N 0 0 195.291 1.509 10 0 ADAERN O[C@H](c1cccs1)[C@@H](O)C1CC1 236523565 573703283 /nfs/dbraw/zinc/70/32/83/573703283.db2.gz HSVJEOQGGDXMBZ-DTWKUNHWSA-N 0 0 184.260 1.552 10 0 ADAERN OCc1nc2cc(Cl)ccc2o1 75844770 573703333 /nfs/dbraw/zinc/70/33/33/573703333.db2.gz UQTCDFWDNAFSKT-UHFFFAOYSA-N 0 0 183.594 1.974 10 0 ADAERN CC(C)[C@]1(O)CS[C@@H](C)C1 86939272 573703339 /nfs/dbraw/zinc/70/33/39/573703339.db2.gz PXRNLHCAXSMQJK-JGVFFNPUSA-N 0 0 160.282 1.899 10 0 ADAERN Nc1nnc(C2(C3CCC3)CC2)s1 257849638 573703341 /nfs/dbraw/zinc/70/33/41/573703341.db2.gz DOTYYPURIKNBAY-UHFFFAOYSA-N 0 0 195.291 1.952 10 0 ADAERN Cc1ncc(O)c(C(F)F)c1O 238483392 573703343 /nfs/dbraw/zinc/70/33/43/573703343.db2.gz ZMDBCTMTLOOTIF-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN O[C@@H](Cc1ccoc1)C1(O)CCCC1 236522469 573703362 /nfs/dbraw/zinc/70/33/62/573703362.db2.gz SEQUUQBTZBMZLO-JTQLQIEISA-N 0 0 196.246 1.488 10 0 ADAERN CC(C)(C)[C@]1(O)CCSC1 86938077 573703369 /nfs/dbraw/zinc/70/33/69/573703369.db2.gz HKUVELYUHPDTRC-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN Cc1nc(Cl)c(N(C)C)nc1C 83941253 573703384 /nfs/dbraw/zinc/70/33/84/573703384.db2.gz WJCLUFUAXXNKHH-UHFFFAOYSA-N 0 0 185.658 1.813 10 0 ADAERN Cc1ccc(Cl)c2ncc(N)n12 238484156 573703396 /nfs/dbraw/zinc/70/33/96/573703396.db2.gz ZNQWIDUIVVVVQI-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN C[C@H]1C[C@H](Nn2cccc2)CS1 86936400 573703415 /nfs/dbraw/zinc/70/34/15/573703415.db2.gz SHARJGFVHHGWDU-IUCAKERBSA-N 0 0 182.292 1.926 10 0 ADAERN C[C@@H](C1CC1)N(C)c1cncc(N)c1 122150865 573703416 /nfs/dbraw/zinc/70/34/16/573703416.db2.gz RASBIFUOKXCXIR-QMMMGPOBSA-N 0 0 191.278 1.899 10 0 ADAERN Cc1cc2c(c(C)c1O)CC(=O)O2 238483998 573703422 /nfs/dbraw/zinc/70/34/22/573703422.db2.gz BMVWWIXKJQFARB-UHFFFAOYSA-N 0 0 178.187 1.471 10 0 ADAERN O=C(C1CCCCC1)[C@@H](O)C1CC1 236519560 573703425 /nfs/dbraw/zinc/70/34/25/573703425.db2.gz YIICZLZDTHHJAT-NSHDSACASA-N 0 0 182.263 1.907 10 0 ADAERN CN(C)c1ccc2ocnc2c1 75838538 573703431 /nfs/dbraw/zinc/70/34/31/573703431.db2.gz BKKNOGJTHZTAQE-UHFFFAOYSA-N 0 0 162.192 1.894 10 0 ADAERN C[C@H]([NH3+])c1nc2c(s1)CCN(C)C2 75845124 573703440 /nfs/dbraw/zinc/70/34/40/573703440.db2.gz YUIRFZXLXXHDSL-LURJTMIESA-N 0 0 197.307 1.151 10 0 ADAERN Cc1ccccc1[C@@H]1NCCCC1=O 258886504 573703444 /nfs/dbraw/zinc/70/34/44/573703444.db2.gz NAYHDENDALNWPB-LBPRGKRZSA-N 0 0 189.258 1.989 10 0 ADAERN CC(C)OC[C@@]1(O)CS[C@H](C)C1 86938583 573703452 /nfs/dbraw/zinc/70/34/52/573703452.db2.gz DQSSOCJMBAONIP-RKDXNWHRSA-N 0 0 190.308 1.668 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)c1ccc(F)cc1 236523397 573703463 /nfs/dbraw/zinc/70/34/63/573703463.db2.gz MUKYFEYTQBVWHO-WDEREUQCSA-N 0 0 196.221 1.630 10 0 ADAERN Cc1ccn2c(CO)ncc2c1 258417877 573703464 /nfs/dbraw/zinc/70/34/64/573703464.db2.gz BPPUUZBSSJZMIT-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN C1CCC[N@@H+]2CCCN[C@H]2CC1 238013874 573703466 /nfs/dbraw/zinc/70/34/66/573703466.db2.gz PNKWEJZYXZWPJO-SNVBAGLBSA-N 0 0 168.284 1.572 10 0 ADAERN CC(=O)c1nc2ccccc2n1O 75844423 573703485 /nfs/dbraw/zinc/70/34/85/573703485.db2.gz JSNQFFDGVRTREW-UHFFFAOYSA-N 0 0 176.175 1.476 10 0 ADAERN COc1cccc2sc(CO)nc12 75844638 573704919 /nfs/dbraw/zinc/70/49/19/573704919.db2.gz KTQFCCYMGIEFSN-UHFFFAOYSA-N 0 0 195.243 1.797 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)C1CCC1 122148655 573704924 /nfs/dbraw/zinc/70/49/24/573704924.db2.gz DSWOEQYWBYZTIA-GMSGAONNSA-N 0 0 168.236 1.781 10 0 ADAERN Cc1ncc(O)c(CO)c1C(F)F 238483872 573704931 /nfs/dbraw/zinc/70/49/31/573704931.db2.gz XPOLAVWTAIJFFW-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(=O)c1cc(N)cc(F)c1 75843656 573705383 /nfs/dbraw/zinc/70/53/83/573705383.db2.gz ZNVDJXMJSCTGAY-UHFFFAOYSA-N 0 0 153.156 1.611 10 0 ADAERN CC(C)(O)c1nccn1C(C)(C)C 75845943 573705395 /nfs/dbraw/zinc/70/53/95/573705395.db2.gz DTQULWXPNMRNLF-UHFFFAOYSA-N 0 0 182.267 1.866 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cn[nH]c2)CS1 86934836 573705399 /nfs/dbraw/zinc/70/53/99/573705399.db2.gz YAPKIZKDUYXHBM-RNFRBKRXSA-N 0 0 183.280 1.716 10 0 ADAERN Cc1cc(N)n([C@H]2CS[C@H](C)C2)n1 86936477 573704415 /nfs/dbraw/zinc/70/44/15/573704415.db2.gz CSBFQKPQJFYSDN-HTQZYQBOSA-N 0 0 197.307 1.840 10 0 ADAERN O=Cc1nc2ccccc2n1O 75844208 573704425 /nfs/dbraw/zinc/70/44/25/573704425.db2.gz JDBAVUZBAWRDOU-UHFFFAOYSA-N 0 0 162.148 1.086 10 0 ADAERN O=C(c1ccoc1)[C@@H](O)C1CC1 236521752 573704430 /nfs/dbraw/zinc/70/44/30/573704430.db2.gz JYNYMZHXNNIFGX-QMMMGPOBSA-N 0 0 166.176 1.233 10 0 ADAERN CC[C@@H](C)[C@@H](O)COCC(F)F 130761267 573704431 /nfs/dbraw/zinc/70/44/31/573704431.db2.gz ZUWAXNWKJROTEH-RQJHMYQMSA-N 0 0 182.210 1.675 10 0 ADAERN C[C@@H]1C[C@](O)(c2cnccn2)CS1 86939162 573704441 /nfs/dbraw/zinc/70/44/41/573704441.db2.gz WQXSCBMYJNONRI-VXNVDRBHSA-N 0 0 196.275 1.190 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)C1CCC1 122148195 573704444 /nfs/dbraw/zinc/70/44/44/573704444.db2.gz DSWOEQYWBYZTIA-XCBNKYQSSA-N 0 0 168.236 1.781 10 0 ADAERN Cc1ccc(OC2CC2)nc1 238483414 573704458 /nfs/dbraw/zinc/70/44/58/573704458.db2.gz JSUQHEARAPQGHR-UHFFFAOYSA-N 0 0 149.193 1.931 10 0 ADAERN Cc1ccc2c(c1)[C@](O)(CO)CCC2 257849788 573704474 /nfs/dbraw/zinc/70/44/74/573704474.db2.gz ONQPMWYRZVJWDS-GFCCVEGCSA-N 0 0 192.258 1.511 10 0 ADAERN Cn1ncc([C@H](O)CCC2CC2)c1N 83936872 573704476 /nfs/dbraw/zinc/70/44/76/573704476.db2.gz VUHNSFGWTJOEOL-SECBINFHSA-N 0 0 195.266 1.226 10 0 ADAERN C[C@@H]1C[C@](O)(c2ccco2)CS1 86939378 573704502 /nfs/dbraw/zinc/70/45/02/573704502.db2.gz GHCMTQMWXYLHNX-VXNVDRBHSA-N 0 0 184.260 1.993 10 0 ADAERN Cc1nncn1Cc1ccccc1 75838673 573704505 /nfs/dbraw/zinc/70/45/05/573704505.db2.gz AGSRFKFULPWMLD-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN CCn1oc(=O)c2cccc(C=O)c21 257849032 573704526 /nfs/dbraw/zinc/70/45/26/573704526.db2.gz OKVIPVLGVYAZBR-UHFFFAOYSA-N 0 0 191.186 1.427 10 0 ADAERN CC[C@H](OC)[C@H](NN)c1cc(C)co1 716112675 573705466 /nfs/dbraw/zinc/70/54/66/573705466.db2.gz XMMDUUZXKMTNFR-WPRPVWTQSA-N 0 0 198.266 1.517 10 0 ADAERN C[C@H]1Cc2cccc(C(N)=O)c2N1 238483898 573704530 /nfs/dbraw/zinc/70/45/30/573704530.db2.gz DLOIOCIBCHNSMS-LURJTMIESA-N 0 0 176.219 1.142 10 0 ADAERN O[C@@]1(C2CC2)CCSC1 86938215 573704533 /nfs/dbraw/zinc/70/45/33/573704533.db2.gz UTCZOHXTJWTFRH-ZETCQYMHSA-N 0 0 144.239 1.264 10 0 ADAERN Nc1cc(CO)cc(Cl)c1F 259560132 573704535 /nfs/dbraw/zinc/70/45/35/573704535.db2.gz WXCSMDNIFIJXOL-UHFFFAOYSA-N 0 0 175.590 1.554 10 0 ADAERN CCn1ccnc1[C@@]1(O)CCSC1 86937933 573704537 /nfs/dbraw/zinc/70/45/37/573704537.db2.gz HMXAHXQGEIVKOO-SECBINFHSA-N 0 0 198.291 1.228 10 0 ADAERN O[C@@H](CC1OCCO1)C1=CCCCC1 236519548 573704551 /nfs/dbraw/zinc/70/45/51/573704551.db2.gz HARGUIZKTFAMIN-JTQLQIEISA-N 0 0 198.262 1.611 10 0 ADAERN CN(C)C(=O)c1cc(C=O)ccc1F 75844330 573704553 /nfs/dbraw/zinc/70/45/53/573704553.db2.gz UJPJKKWTRJSTHL-UHFFFAOYSA-N 0 0 195.193 1.340 10 0 ADAERN Cn1nccc1C(=O)CCCCF 393552573 573704581 /nfs/dbraw/zinc/70/45/81/573704581.db2.gz VKYQKWRNFOVSPP-UHFFFAOYSA-N 0 0 184.214 1.743 10 0 ADAERN Cc1cc2c(cc1O)SCC(=O)O2 238483956 573704589 /nfs/dbraw/zinc/70/45/89/573704589.db2.gz LFJWQULQDYVCQS-UHFFFAOYSA-N 0 0 196.227 1.712 10 0 ADAERN Cc1nccc([C@@H]2N[C@@H](C)CS2)n1 124912819 573704595 /nfs/dbraw/zinc/70/45/95/573704595.db2.gz QKCJODQQEFVCGM-IMTBSYHQSA-N 0 0 195.291 1.509 10 0 ADAERN C[C@@H]1C[C@@](O)(c2cccnc2)CS1 86939255 573704597 /nfs/dbraw/zinc/70/45/97/573704597.db2.gz BOFUEMRXJIOFLH-SCZZXKLOSA-N 0 0 195.287 1.795 10 0 ADAERN C[C@H]1Cc2ccc(N)cc2[C@H]1O 238483419 573704607 /nfs/dbraw/zinc/70/46/07/573704607.db2.gz PZAYALFXPZTACY-WKEGUHRASA-N 0 0 163.220 1.494 10 0 ADAERN Cc1nc(Cl)c2nncn2c1C 83942270 573704608 /nfs/dbraw/zinc/70/46/08/573704608.db2.gz FXDCDCCZUQZLLY-UHFFFAOYSA-N 0 0 182.614 1.395 10 0 ADAERN CC[C@@H](OC)[C@@H](NN)c1cc(C)co1 716112672 573705468 /nfs/dbraw/zinc/70/54/68/573705468.db2.gz XMMDUUZXKMTNFR-PSASIEDQSA-N 0 0 198.266 1.517 10 0 ADAERN OCc1c(F)cccc1N1CCCC1 236508802 573704620 /nfs/dbraw/zinc/70/46/20/573704620.db2.gz RHYCQPUDFUEAFX-UHFFFAOYSA-N 0 0 195.237 1.918 10 0 ADAERN C[C@H]1Cc2cccc(C(=O)[O-])c2C[NH2+]1 238483912 573704646 /nfs/dbraw/zinc/70/46/46/573704646.db2.gz SIMCWOBXDYYSSB-ZETCQYMHSA-N 0 0 191.230 1.419 10 0 ADAERN CN(C)c1cc(F)c(CO)cc1F 75844585 573704650 /nfs/dbraw/zinc/70/46/50/573704650.db2.gz GILLMNDRMNICMV-UHFFFAOYSA-N 0 0 187.189 1.523 10 0 ADAERN COC[C@H](O)CCC1CC1 83936375 573704656 /nfs/dbraw/zinc/70/46/56/573704656.db2.gz VIZZZBQTZGLFNN-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN C=C1C=CC(/C=C2/C=CC(=O)N2)=N1 238017341 573704662 /nfs/dbraw/zinc/70/46/62/573704662.db2.gz JIEFQVMCXHNUPZ-TWGQIWQCSA-N 0 0 172.187 1.081 10 0 ADAERN Cc1cc(C)n(C(C)(C)C)c(=O)c1N 257849772 573704671 /nfs/dbraw/zinc/70/46/71/573704671.db2.gz OMWNCPZPHBAQOX-UHFFFAOYSA-N 0 0 194.278 1.802 10 0 ADAERN OCc1csc(C2CCC2)n1 83942464 573704672 /nfs/dbraw/zinc/70/46/72/573704672.db2.gz JRNCGHUMTXZBOJ-UHFFFAOYSA-N 0 0 169.249 1.903 10 0 ADAERN C[C@@H]1C[C@@](O)(c2cncnc2)CS1 86938700 573704694 /nfs/dbraw/zinc/70/46/94/573704694.db2.gz BLAOPLZRICULLE-APPZFPTMSA-N 0 0 196.275 1.190 10 0 ADAERN CN(C)c1cccc(C[NH3+])c1F 75844814 573704696 /nfs/dbraw/zinc/70/46/96/573704696.db2.gz VHGQSJXSMCWWQX-UHFFFAOYSA-N 0 0 168.215 1.350 10 0 ADAERN C[C@]1(Cl)C[P@](C)(=O)C[C@@H]1O 238483676 573704721 /nfs/dbraw/zinc/70/47/21/573704721.db2.gz MZYVMJCGRBEWJM-JFWOZONXSA-N 0 0 182.587 1.351 10 0 ADAERN CC(F)(F)CC[NH2+]C/C=C\C(=O)[O-] 393646835 573705705 /nfs/dbraw/zinc/70/57/05/573705705.db2.gz WPIGYZZLXREZLM-IHWYPQMZSA-N 0 0 193.193 1.262 10 0 ADAERN O=Cc1cc(-n2ccnc2)ccc1F 75844179 573704740 /nfs/dbraw/zinc/70/47/40/573704740.db2.gz DRAFWXAPJGCTMB-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN C[C@H]1CC[C@@H](CO)[C@@H](C)O1 238483794 573704755 /nfs/dbraw/zinc/70/47/55/573704755.db2.gz ZWKMHVMVVGIAEH-RNJXMRFFSA-N 0 0 144.214 1.182 10 0 ADAERN CCCC(=O)CN1CCC(C)(C)C1=O 308691930 573704757 /nfs/dbraw/zinc/70/47/57/573704757.db2.gz RTPMPXIJIDNIBQ-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN C[C@@H]1C[C@@](O)(c2cnccn2)CS1 86939166 573704758 /nfs/dbraw/zinc/70/47/58/573704758.db2.gz WQXSCBMYJNONRI-APPZFPTMSA-N 0 0 196.275 1.190 10 0 ADAERN Cc1[nH]cc(O)c(=O)c1C(F)F 238484060 573704770 /nfs/dbraw/zinc/70/47/70/573704770.db2.gz NPQRHQXCODKFDR-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN CC(C)[C@]1(O)CS[C@H](C)C1 86939270 573704791 /nfs/dbraw/zinc/70/47/91/573704791.db2.gz PXRNLHCAXSMQJK-HTQZYQBOSA-N 0 0 160.282 1.899 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ccn(C)n2)CS1 86935212 573704819 /nfs/dbraw/zinc/70/48/19/573704819.db2.gz KLKVJZXYXHYPPR-HTQZYQBOSA-N 0 0 197.307 1.726 10 0 ADAERN C[C@H]1Cc2cccc(N)c2C1=O 238484153 573704820 /nfs/dbraw/zinc/70/48/20/573704820.db2.gz QCLDMHFXMXQBNC-LURJTMIESA-N 0 0 161.204 1.644 10 0 ADAERN COC(=O)[C@H](F)C[C@H]1CCCS1 257849675 573704842 /nfs/dbraw/zinc/70/48/42/573704842.db2.gz OLGPYIXYGTUIFL-RNFRBKRXSA-N 0 0 192.255 1.783 10 0 ADAERN Cc1ccc([C@@]2(O)CCSC2)cn1 86938222 573704847 /nfs/dbraw/zinc/70/48/47/573704847.db2.gz UMXJDCWIDOTMPN-SNVBAGLBSA-N 0 0 195.287 1.715 10 0 ADAERN COc1ccc(O)cc1C(C)(C)CO 257849469 573704849 /nfs/dbraw/zinc/70/48/49/573704849.db2.gz RGQZEBVKVRWIHV-UHFFFAOYSA-N 0 0 196.246 1.671 10 0 in-vitro ADAERN C[C@@H]1C[C@@H]1c1ncc(CO)s1 83943120 573704862 /nfs/dbraw/zinc/70/48/62/573704862.db2.gz FAXJLKVRUQNMNE-VDTYLAMSSA-N 0 0 169.249 1.759 10 0 ADAERN C[C@@H]1C[C@](O)(c2ccnn2C)CS1 86938928 573704867 /nfs/dbraw/zinc/70/48/67/573704867.db2.gz MIUJJJLYZAOAFL-VXNVDRBHSA-N 0 0 198.291 1.133 10 0 ADAERN C[C@@H]1C[C@](O)([C@@H]2CCOC2)CS1 86939152 573704899 /nfs/dbraw/zinc/70/48/99/573704899.db2.gz OJQGDTLYCLRPIU-IWSPIJDZSA-N 0 0 188.292 1.279 10 0 ADAERN CCOC(=O)[C@@H]1[C@@H](OC)C12CCCC2 259558748 573704901 /nfs/dbraw/zinc/70/49/01/573704901.db2.gz ICYUSUGHDGMAHE-DTWKUNHWSA-N 0 0 198.262 1.755 10 0 ADAERN Cc1c(F)cc(C(F)F)nc1CO 238483929 573704904 /nfs/dbraw/zinc/70/49/04/573704904.db2.gz FXFJGBWMEYEULB-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C[C@H]1CC[C@@H](CO)[C@@H]1C 238483816 573704957 /nfs/dbraw/zinc/70/49/57/573704957.db2.gz FFUHIRMAVFSCDW-RNJXMRFFSA-N 0 0 128.215 1.661 10 0 ADAERN CC(=O)c1nc2cccnc2n1C 75844441 573704961 /nfs/dbraw/zinc/70/49/61/573704961.db2.gz NUYIFBCZHYWQQD-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN Cc1cc(O)ccc1NC(N)=S 238483683 573704978 /nfs/dbraw/zinc/70/49/78/573704978.db2.gz HYQLTPYLRTVQJG-UHFFFAOYSA-N 0 0 182.248 1.356 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)C1CCC1 122148827 573704970 /nfs/dbraw/zinc/70/49/70/573704970.db2.gz DSWOEQYWBYZTIA-OIBJUYFYSA-N 0 0 168.236 1.781 10 0 ADAERN COCCC[C@H](O)Cc1ccoc1 130767278 573705002 /nfs/dbraw/zinc/70/50/02/573705002.db2.gz TWAMONXBLSCRCN-JTQLQIEISA-N 0 0 184.235 1.610 10 0 ADAERN C[C@]1(Cl)C[P@@](C)(=O)C[C@@H]1O 238483661 573705025 /nfs/dbraw/zinc/70/50/25/573705025.db2.gz MZYVMJCGRBEWJM-VGIXGZPDSA-N 0 0 182.587 1.351 10 0 ADAERN O[C@]1(c2ccoc2)CCSC1 86938024 573705048 /nfs/dbraw/zinc/70/50/48/573705048.db2.gz JJSPTJPWKDZAHZ-MRVPVSSYSA-N 0 0 170.233 1.604 10 0 ADAERN CC(=O)Nc1ccc2c(c1)O[C@@H](C)C2 238483439 573705111 /nfs/dbraw/zinc/70/51/11/573705111.db2.gz AYULMDCVUPNILM-ZETCQYMHSA-N 0 0 191.230 1.968 10 0 ADAERN Cc1cc(C[NH3+])c(N)nc1C(F)F 238483611 573705060 /nfs/dbraw/zinc/70/50/60/573705060.db2.gz HKNBMESKLLZWSF-UHFFFAOYSA-N 0 0 187.193 1.369 10 0 ADAERN COCCC[C@@H](O)Cc1ccoc1 130767481 573705061 /nfs/dbraw/zinc/70/50/61/573705061.db2.gz TWAMONXBLSCRCN-SNVBAGLBSA-N 0 0 184.235 1.610 10 0 ADAERN O=C(CCC1CC1)c1ncccn1 83935598 573705072 /nfs/dbraw/zinc/70/50/72/573705072.db2.gz ZFSKNEMKPUMEGJ-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN O[C@@]1(c2cncc(F)c2)CCSC1 86938037 573705089 /nfs/dbraw/zinc/70/50/89/573705089.db2.gz CGEXQROSPKSXOL-VIFPVBQESA-N 0 0 199.250 1.545 10 0 ADAERN Cc1nn(C)c(C)c1C(C)(C)O 75845883 573705098 /nfs/dbraw/zinc/70/50/98/573705098.db2.gz IJLMNVBPFULVQA-UHFFFAOYSA-N 0 0 168.240 1.264 10 0 ADAERN Cn1c(C[NH3+])cnc1-c1ccco1 108252638 573705104 /nfs/dbraw/zinc/70/51/04/573705104.db2.gz XHKPCCSJYCFIKI-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN C[C@H]([NH3+])c1nc2ccncc2s1 75845111 573705720 /nfs/dbraw/zinc/70/57/20/573705720.db2.gz RWKSLYQLIHRMRP-YFKPBYRVSA-N 0 0 179.248 1.711 10 0 ADAERN Cc1ccc([C@]2(O)CCSC2)cn1 86938221 573705122 /nfs/dbraw/zinc/70/51/22/573705122.db2.gz UMXJDCWIDOTMPN-JTQLQIEISA-N 0 0 195.287 1.715 10 0 ADAERN O=C([O-])[C@@H]1CC=C([NH+]2CCCC2)CC1 108240438 573705124 /nfs/dbraw/zinc/70/51/24/573705124.db2.gz FMTFICDUXAWMBY-SECBINFHSA-N 0 0 195.262 1.851 10 0 ADAERN CCc1nc2c(o1)CC[C@@H](O)C2 258100226 573705130 /nfs/dbraw/zinc/70/51/30/573705130.db2.gz UZYGUKSQKFMOFX-ZCFIWIBFSA-N 0 0 167.208 1.087 10 0 ADAERN C[C@]1(C=C=O)C(=O)[C@@H]2CCCC[C@@H]21 238483466 573705150 /nfs/dbraw/zinc/70/51/50/573705150.db2.gz NZQWULGIESYZTE-WCABBAIRSA-N 0 0 178.231 1.770 10 0 ADAERN CSC1CCC(CO)CC1 108247004 573705171 /nfs/dbraw/zinc/70/51/71/573705171.db2.gz LFLRDQXVKQIPQA-UHFFFAOYSA-N 0 0 160.282 1.901 10 0 ADAERN C[C@]1(Cl)C[C@@]12C[C@@H]2CO 238483449 573705199 /nfs/dbraw/zinc/70/51/99/573705199.db2.gz IMLQADFQPDCEJR-DSYKOEDSSA-N 0 0 146.617 1.386 10 0 ADAERN OCc1csc([C@@H]2CCCOC2)n1 83942605 573705207 /nfs/dbraw/zinc/70/52/07/573705207.db2.gz ZALJGBLGNFYPGG-SSDOTTSWSA-N 0 0 199.275 1.529 10 0 ADAERN CC[N@H+](CC(=O)[O-])CC1(C)CCCC1 308687895 573705726 /nfs/dbraw/zinc/70/57/26/573705726.db2.gz QJAFIBJVWGXCHG-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN C[C@H]1Cc2ccc(N)cc2[C@@H]1O 238483404 573705212 /nfs/dbraw/zinc/70/52/12/573705212.db2.gz PZAYALFXPZTACY-QUBYGPBYSA-N 0 0 163.220 1.494 10 0 ADAERN Cc1cccc2c1C[C@@](C)(CO)N2 258100790 573705222 /nfs/dbraw/zinc/70/52/22/573705222.db2.gz IPAJNJDFDVGIBW-NSHDSACASA-N 0 0 177.247 1.714 10 0 ADAERN C[C@H]1C[C@](O)(c2ccco2)CS1 86939380 573705227 /nfs/dbraw/zinc/70/52/27/573705227.db2.gz GHCMTQMWXYLHNX-IONNQARKSA-N 0 0 184.260 1.993 10 0 ADAERN Cc1[nH]c2ccc(=O)oc2c1C 238483455 573705229 /nfs/dbraw/zinc/70/52/29/573705229.db2.gz XIRUVQIKMMUPSE-UHFFFAOYSA-N 0 0 163.176 1.738 10 0 ADAERN C[C@]1(C=C=O)C(=O)[C@H]2CCC[C@@H]21 238483482 573705233 /nfs/dbraw/zinc/70/52/33/573705233.db2.gz WUMQCWCVJLWTNQ-OYNCUSHFSA-N 0 0 164.204 1.380 10 0 ADAERN O=C(c1ccccc1)[C@H](O)C1CC1 236526188 573705245 /nfs/dbraw/zinc/70/52/45/573705245.db2.gz ITGHGPSDFJTIFH-LLVKDONJSA-N 0 0 176.215 1.640 10 0 ADAERN COC[C@H]1CCNc2cc(O)ccc21 257849717 573705255 /nfs/dbraw/zinc/70/52/55/573705255.db2.gz OMBSOTGZRRWOBJ-MRVPVSSYSA-N 0 0 193.246 1.938 10 0 ADAERN C[C@@H]1C[C@H](C(=O)C2CCC2)CO1 122149096 573705265 /nfs/dbraw/zinc/70/52/65/573705265.db2.gz WJKPAJKQWZFDCW-APPZFPTMSA-N 0 0 168.236 1.781 10 0 ADAERN CCc1ccc(C)c(C(=O)C[NH2+]C)c1 258100915 573705296 /nfs/dbraw/zinc/70/52/96/573705296.db2.gz OTOSFTZSJUTRGN-UHFFFAOYSA-N 0 0 191.274 1.960 10 0 ADAERN C/C=C/CNC(=O)C/C=C/C 238013875 573705298 /nfs/dbraw/zinc/70/52/98/573705298.db2.gz OOEUGUKNCJEHTQ-GGWOSOGESA-N 0 0 153.225 1.645 10 0 ADAERN CC(=O)c1ccc2c(c1)OCCN2 108239335 573705326 /nfs/dbraw/zinc/70/53/26/573705326.db2.gz DGRNFAJJAMWMTP-UHFFFAOYSA-N 0 0 177.203 1.694 10 0 ADAERN C[C@@H]1C[C@H](Nn2cccc2)CS1 86936399 573705329 /nfs/dbraw/zinc/70/53/29/573705329.db2.gz SHARJGFVHHGWDU-BDAKNGLRSA-N 0 0 182.292 1.926 10 0 ADAERN Cc1nccc([C@H]2N[C@@H](C)CS2)n1 124912988 573705351 /nfs/dbraw/zinc/70/53/51/573705351.db2.gz QKCJODQQEFVCGM-RCOVLWMOSA-N 0 0 195.291 1.509 10 0 ADAERN C[C@@H]1C[C@H](Nc2ccn(C)n2)CS1 86935210 573705354 /nfs/dbraw/zinc/70/53/54/573705354.db2.gz KLKVJZXYXHYPPR-SFYZADRCSA-N 0 0 197.307 1.726 10 0 ADAERN O=Cc1cccc(-n2cccn2)c1F 75844178 573705358 /nfs/dbraw/zinc/70/53/58/573705358.db2.gz XPZMNUGLZRYKLD-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN CCC1(C[NH2+]C/C=C\C(=O)[O-])CC1 393553078 573705362 /nfs/dbraw/zinc/70/53/62/573705362.db2.gz VXONCONTHARKIK-ARJAWSKDSA-N 0 0 183.251 1.407 10 0 ADAERN C[C@@H](c1c(N)cnn1C)C(F)(F)F 75840194 573705416 /nfs/dbraw/zinc/70/54/16/573705416.db2.gz KARIZUCMARYDQA-BYPYZUCNSA-N 0 0 193.172 1.668 10 0 ADAERN CCO[C@@H](C)[C@@H](O)Cc1ccco1 130761834 573705422 /nfs/dbraw/zinc/70/54/22/573705422.db2.gz DBHFWEXWZWFRLF-WPRPVWTQSA-N 0 0 184.235 1.608 10 0 ADAERN C[C@H]([NH3+])c1nc2ccccc2n1O 75845158 573705424 /nfs/dbraw/zinc/70/54/24/573705424.db2.gz NEUDXVZGJUOTSI-LURJTMIESA-N 0 0 177.207 1.293 10 0 ADAERN C[C@H]([NH3+])c1ccnn1-c1ccccc1 75845350 573705436 /nfs/dbraw/zinc/70/54/36/573705436.db2.gz TWIOZVGCRLANLK-VIFPVBQESA-N 0 0 187.246 1.892 10 0 ADAERN CC[C@](C)(C(=O)[O-])[C@H]([NH3+])c1ccoc1 308690183 573705442 /nfs/dbraw/zinc/70/54/42/573705442.db2.gz RFUUCPSCDAYUEK-SCZZXKLOSA-N 0 0 197.234 1.780 10 0 ADAERN CC(F)(F)CC[NH2+]C/C=C/C(=O)[O-] 393646836 573705444 /nfs/dbraw/zinc/70/54/44/573705444.db2.gz WPIGYZZLXREZLM-NSCUHMNNSA-N 0 0 193.193 1.262 10 0 ADAERN CC[C@H](OC)[C@@H](NN)c1cc(C)co1 716112674 573705445 /nfs/dbraw/zinc/70/54/45/573705445.db2.gz XMMDUUZXKMTNFR-WCBMZHEXSA-N 0 0 198.266 1.517 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)C2CCC2)CO1 122149390 573705474 /nfs/dbraw/zinc/70/54/74/573705474.db2.gz WJKPAJKQWZFDCW-VXNVDRBHSA-N 0 0 168.236 1.781 10 0 ADAERN O[C@]1(C2CC2)CCSC1 86938216 573705475 /nfs/dbraw/zinc/70/54/75/573705475.db2.gz UTCZOHXTJWTFRH-SSDOTTSWSA-N 0 0 144.239 1.264 10 0 ADAERN C[C@H]1CC[C@@H](CNC(N)=O)C1(C)C 238483595 573705476 /nfs/dbraw/zinc/70/54/76/573705476.db2.gz DCBGTQCATODTAJ-YUMQZZPRSA-N 0 0 184.283 1.727 10 0 ADAERN CC[C@@H](OC)[C@H](NN)c1cc(C)co1 716112673 573705478 /nfs/dbraw/zinc/70/54/78/573705478.db2.gz XMMDUUZXKMTNFR-SCZZXKLOSA-N 0 0 198.266 1.517 10 0 ADAERN CCc1cc(F)c(OC)c(CCO)c1 258099975 573705479 /nfs/dbraw/zinc/70/54/79/573705479.db2.gz KKCVYEKIYKFYGS-UHFFFAOYSA-N 0 0 198.237 1.932 10 0 ADAERN CC[C@]1(O)CS[C@H](C)C1 86938720 573705482 /nfs/dbraw/zinc/70/54/82/573705482.db2.gz ZHSYUPQXZWHEMQ-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN COC(=O)[C@@H](F)C[C@H]1CCCS1 257849677 573705484 /nfs/dbraw/zinc/70/54/84/573705484.db2.gz OLGPYIXYGTUIFL-RQJHMYQMSA-N 0 0 192.255 1.783 10 0 ADAERN CCC[C@@H]1COC[C@]12CCC(=O)O2 687964947 573705486 /nfs/dbraw/zinc/70/54/86/573705486.db2.gz KXONSCMSLSSINF-PSASIEDQSA-N 0 0 184.235 1.509 10 0 ADAERN CCSC[C@@H](O)Cc1ccco1 130768770 573705527 /nfs/dbraw/zinc/70/55/27/573705527.db2.gz KASTUTQUXUBRSR-QMMMGPOBSA-N 0 0 186.276 1.936 10 0 ADAERN OCc1csc([C@@H]2CCOC2)n1 83942538 573705546 /nfs/dbraw/zinc/70/55/46/573705546.db2.gz OBIDHEZLSVGKIC-ZCFIWIBFSA-N 0 0 185.248 1.139 10 0 ADAERN C[C@H]1C[C@@H](Nn2cccc2)CS1 86936402 573705563 /nfs/dbraw/zinc/70/55/63/573705563.db2.gz SHARJGFVHHGWDU-DTWKUNHWSA-N 0 0 182.292 1.926 10 0 ADAERN Cc1nc(C[NH3+])c2cc(O)ccc2n1 257849828 573705564 /nfs/dbraw/zinc/70/55/64/573705564.db2.gz OOCPCWIOHHTWKV-UHFFFAOYSA-N 0 0 189.218 1.103 10 0 ADAERN CSC1=NCCc2ccc(N)cc21 108240513 573705577 /nfs/dbraw/zinc/70/55/77/573705577.db2.gz VOFIIDOUZKQGCZ-UHFFFAOYSA-N 0 0 192.287 1.935 10 0 ADAERN C[C@@H]1C[C@@](O)(C(F)(F)F)CS1 86939006 573705588 /nfs/dbraw/zinc/70/55/88/573705588.db2.gz WQVRSPVYARXQNM-UHNVWZDZSA-N 0 0 186.198 1.805 10 0 ADAERN OCc1cnc(C[C@H]2CCCO2)s1 83943033 573705595 /nfs/dbraw/zinc/70/55/95/573705595.db2.gz QYWJEOYMKSKUFZ-SSDOTTSWSA-N 0 0 199.275 1.357 10 0 ADAERN C[C@H]1C[C@](O)(c2ccoc2)CS1 86938792 573705601 /nfs/dbraw/zinc/70/56/01/573705601.db2.gz XLVLIFMPQFKTLR-IONNQARKSA-N 0 0 184.260 1.993 10 0 ADAERN CONCc1ccccc1C(C)(C)O 259558763 573705607 /nfs/dbraw/zinc/70/56/07/573705607.db2.gz VDGGGWOGBPCDLU-UHFFFAOYSA-N 0 0 195.262 1.565 10 0 ADAERN CC(C)(C)[C@@H](O)COCC(F)F 130768593 573705609 /nfs/dbraw/zinc/70/56/09/573705609.db2.gz LQJVKJVMHWCYPK-LURJTMIESA-N 0 0 182.210 1.675 10 0 ADAERN CC(C)(O)c1nc2ccncc2s1 75845969 573705690 /nfs/dbraw/zinc/70/56/90/573705690.db2.gz UXPADPPMVYQJEO-UHFFFAOYSA-N 0 0 194.259 1.919 10 0 ADAERN c1cc2c(nc1OCC1CC1)NCC2 257849833 573705630 /nfs/dbraw/zinc/70/56/30/573705630.db2.gz OOGHMDNRQRKYRN-UHFFFAOYSA-N 0 0 190.246 1.838 10 0 ADAERN CC(C)[C@H](CCc1cccnc1)NN 126816624 573705635 /nfs/dbraw/zinc/70/56/35/573705635.db2.gz YICAWYGKRIGOAX-NSHDSACASA-N 0 0 193.294 1.502 10 0 ADAERN C[C@H](Nc1cncc(N)c1)C1CC1 122134185 573705636 /nfs/dbraw/zinc/70/56/36/573705636.db2.gz XQLVJIQRJGLSIQ-ZETCQYMHSA-N 0 0 177.251 1.874 10 0 ADAERN O[C@H](COCC(F)F)C1CC1 130769262 573705640 /nfs/dbraw/zinc/70/56/40/573705640.db2.gz JEQHIGFDMPNASK-ZCFIWIBFSA-N 0 0 166.167 1.039 10 0 ADAERN CCn1ccnc1[C@]1(O)CCSC1 86937932 573705659 /nfs/dbraw/zinc/70/56/59/573705659.db2.gz HMXAHXQGEIVKOO-VIFPVBQESA-N 0 0 198.291 1.228 10 0 ADAERN C[C@H]1C[C@](O)(c2cncnc2)CS1 86938697 573705669 /nfs/dbraw/zinc/70/56/69/573705669.db2.gz BLAOPLZRICULLE-IONNQARKSA-N 0 0 196.275 1.190 10 0 ADAERN Cc1ncccc1C(=O)CCCO 715172865 573705672 /nfs/dbraw/zinc/70/56/72/573705672.db2.gz PTBMQVSDNXMVLF-UHFFFAOYSA-N 0 0 179.219 1.345 10 0 ADAERN C[C@@H]1C[C@](O)(c2cnn(C)c2)CS1 86939526 573705674 /nfs/dbraw/zinc/70/56/74/573705674.db2.gz MQKDBIFUSSQQME-VXNVDRBHSA-N 0 0 198.291 1.133 10 0 ADAERN O=Cc1ccc(-n2cc[nH]c2=O)cc1 108267708 573708048 /nfs/dbraw/zinc/70/80/48/573708048.db2.gz OKXIHQOUYDXVTM-UHFFFAOYSA-N 0 0 188.186 1.390 10 0 ADAERN CC[C@H]([NH2+]C)C(C)(C)CC(=O)[O-] 259561179 573708188 /nfs/dbraw/zinc/70/81/88/573708188.db2.gz WEYGAYMKTAQPLT-ZETCQYMHSA-N 0 0 173.256 1.485 10 0 ADAERN CC(=O)c1noc(-c2ccc(C)o2)n1 258095873 573710210 /nfs/dbraw/zinc/71/02/10/573710210.db2.gz RUCKQKGNDGJUJX-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN O[C@H]1COC[C@H]1Cc1ccc(F)cc1 687965035 573707957 /nfs/dbraw/zinc/70/79/57/573707957.db2.gz UXTSXNNSERSRFJ-KOLCDFICSA-N 0 0 196.221 1.376 10 0 ADAERN O[C@H](C1CCC1)C1(O)CCCCC1 236530107 573707965 /nfs/dbraw/zinc/70/79/65/573707965.db2.gz LKMQQRXNXRZPMI-SNVBAGLBSA-N 0 0 184.279 1.843 10 0 ADAERN CN[C@@H](O)c1ccc(F)cc1F 259561209 573712220 /nfs/dbraw/zinc/71/22/20/573712220.db2.gz WFDMVWFRBLIYFZ-QMMMGPOBSA-N 0 0 173.162 1.175 10 0 ADAERN C[N@@H+]1CCC[C@H]1/C=C\CC(=O)[O-] 258100228 573707998 /nfs/dbraw/zinc/70/79/98/573707998.db2.gz HAVSUSLTFWCHAN-DLRBJTRDSA-N 0 0 169.224 1.112 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1ccco1 236534974 573707999 /nfs/dbraw/zinc/70/79/99/573707999.db2.gz GJYSHNNLMMPYNK-PSASIEDQSA-N 0 0 182.219 1.220 10 0 ADAERN O=Cc1ccccc1N1C=NCC1 108265713 573712221 /nfs/dbraw/zinc/71/22/21/573712221.db2.gz OITSBHWSZALSTO-UHFFFAOYSA-N 0 0 174.203 1.347 10 0 ADAERN Nc1cnc(Cc2ccncc2)cn1 83951186 573708009 /nfs/dbraw/zinc/70/80/09/573708009.db2.gz LXZCUGYZBULRNS-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Cc1ccc(-c2nncn2C)cc1 75838474 573707295 /nfs/dbraw/zinc/70/72/95/573707295.db2.gz BMSSWIBMDJMVIG-UHFFFAOYSA-N 0 0 173.219 1.791 10 0 ADAERN Cc1cc(CCO)cc(C)c1CO 238477537 573707312 /nfs/dbraw/zinc/70/73/12/573707312.db2.gz UZRWBEVGTPQAAO-UHFFFAOYSA-N 0 0 180.247 1.331 10 0 ADAERN Cc1cc(N)n([C@@H]2CS[C@@H](C)C2)n1 86936476 573707316 /nfs/dbraw/zinc/70/73/16/573707316.db2.gz CSBFQKPQJFYSDN-YUMQZZPRSA-N 0 0 197.307 1.840 10 0 ADAERN Cc1ncc(F)c(CO)c1C(F)F 238477227 573707324 /nfs/dbraw/zinc/70/73/24/573707324.db2.gz IENPJBKPKWKSKH-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CN(C)c1ccc2ncoc2c1 75838540 573707325 /nfs/dbraw/zinc/70/73/25/573707325.db2.gz WIZJRTVWYUJCIJ-UHFFFAOYSA-N 0 0 162.192 1.894 10 0 ADAERN Cc1ccc(O)c(C(C)(C)O)c1 75845882 573707331 /nfs/dbraw/zinc/70/73/31/573707331.db2.gz DUBXZBQHGTTXNM-UHFFFAOYSA-N 0 0 166.220 1.928 10 0 ADAERN O[C@@H]1COC[C@@H]1Cc1ccc(F)cc1 687965034 573707332 /nfs/dbraw/zinc/70/73/32/573707332.db2.gz UXTSXNNSERSRFJ-GXSJLCMTSA-N 0 0 196.221 1.376 10 0 ADAERN Cc1ccc(C2=NC(=O)CCN2)cc1 238477386 573707364 /nfs/dbraw/zinc/70/73/64/573707364.db2.gz DZPVUJBBGXYUPB-UHFFFAOYSA-N 0 0 188.230 1.262 10 0 ADAERN C[NH2+][C@H](OC)c1sccc1C 259176911 573707365 /nfs/dbraw/zinc/70/73/65/573707365.db2.gz JPLOFHFTJKJMNE-MRVPVSSYSA-N 0 0 171.265 1.921 10 0 ADAERN C[C@H]([NH3+])c1nc2cc(O)ccc2n1C 75845168 573707366 /nfs/dbraw/zinc/70/73/66/573707366.db2.gz IHCMLCOUDOWYIW-LURJTMIESA-N 0 0 191.234 1.299 10 0 ADAERN O=C(Cc1ccncc1)c1ncccn1 83951077 573707374 /nfs/dbraw/zinc/70/73/74/573707374.db2.gz WGUWZUDGSDZEOR-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN CC(C)(O)c1ncc2sccn12 75846002 573707385 /nfs/dbraw/zinc/70/73/85/573707385.db2.gz YWZVOUVHPJAPGT-UHFFFAOYSA-N 0 0 182.248 1.623 10 0 ADAERN CC(C)OC[C@]1(O)CS[C@H](C)C1 86938579 573707389 /nfs/dbraw/zinc/70/73/89/573707389.db2.gz DQSSOCJMBAONIP-BDAKNGLRSA-N 0 0 190.308 1.668 10 0 ADAERN C[NH2+][C@@H](C)[C@H](F)Cc1cccc(O)c1 257849798 573707392 /nfs/dbraw/zinc/70/73/92/573707392.db2.gz ONVIIMGWJZIRRV-GZMMTYOYSA-N 0 0 197.253 1.881 10 0 ADAERN C[NH2+][C@H](C)[C@@H](F)Cc1cccc(O)c1 257849799 573707413 /nfs/dbraw/zinc/70/74/13/573707413.db2.gz ONVIIMGWJZIRRV-KCJUWKMLSA-N 0 0 197.253 1.881 10 0 ADAERN Cc1cncc2cc(CON)ccc12 258100975 573707417 /nfs/dbraw/zinc/70/74/17/573707417.db2.gz OUEKYSLODPOWBG-UHFFFAOYSA-N 0 0 188.230 1.934 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)C1CCC1 122148432 573707418 /nfs/dbraw/zinc/70/74/18/573707418.db2.gz DSWOEQYWBYZTIA-XVKPBYJWSA-N 0 0 168.236 1.781 10 0 ADAERN CC(C)[C@H](O)c1cnc(N(C)C)nc1 75853570 573708021 /nfs/dbraw/zinc/70/80/21/573708021.db2.gz NKODHMOIPJNGDT-VIFPVBQESA-N 0 0 195.266 1.232 10 0 ADAERN C[C@@H]1CCCCC[C@H]1NC=O 83950188 573707425 /nfs/dbraw/zinc/70/74/25/573707425.db2.gz HSLFVJPNGZESLD-RKDXNWHRSA-N 0 0 155.241 1.701 10 0 ADAERN C=C/C(Cl)=C\[C@@H](C)O 238477458 573707426 /nfs/dbraw/zinc/70/74/26/573707426.db2.gz OQEKLESUXRQJNU-YWSOBTQUSA-N 0 0 132.590 1.676 10 0 ADAERN O=Cc1cc(-c2ccc(O)cc2)[nH]n1 257849887 573707428 /nfs/dbraw/zinc/70/74/28/573707428.db2.gz OPUDARGLICHUCZ-UHFFFAOYSA-N 0 0 188.186 1.595 10 0 ADAERN CC[C@]1(CO)CC[C@H](C)C[C@@H]1O 223298822 573707448 /nfs/dbraw/zinc/70/74/48/573707448.db2.gz GUZGXNRRSJTLNG-LPEHRKFASA-N 0 0 172.268 1.556 10 0 ADAERN CC[C@@]1(O)CS[C@@H](C)C1 86938714 573707452 /nfs/dbraw/zinc/70/74/52/573707452.db2.gz ZHSYUPQXZWHEMQ-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN Cc1ccc2c(c1)CCN2C 75838565 573707454 /nfs/dbraw/zinc/70/74/54/573707454.db2.gz GNDQBGUVYQIQLO-UHFFFAOYSA-N 0 0 147.221 1.987 10 0 ADAERN O[C@@H]1CCOC[C@H]1CCC(F)(F)F 236532896 573707461 /nfs/dbraw/zinc/70/74/61/573707461.db2.gz DHINCOIEXIILNP-RNFRBKRXSA-N 0 0 198.184 1.726 10 0 ADAERN C/C=C/C[C@@H](O)[C@@H]1CCCCO1 238017499 573707463 /nfs/dbraw/zinc/70/74/63/573707463.db2.gz NOFGGLXTOPHDBL-NBYFHADBSA-N 0 0 170.252 1.883 10 0 ADAERN OC[C@@H]1CC2CC1C2 257849411 573707468 /nfs/dbraw/zinc/70/74/68/573707468.db2.gz RFGJEPXOGFSJBH-AHXFUIDQSA-N 0 0 112.172 1.025 10 0 ADAERN CCOC(=O)[C@H]1[C@@H](OC)C12CCCC2 259558754 573707471 /nfs/dbraw/zinc/70/74/71/573707471.db2.gz ICYUSUGHDGMAHE-RKDXNWHRSA-N 0 0 198.262 1.755 10 0 ADAERN C/C(=C\C(C)(C)O)CCO 238477546 573707485 /nfs/dbraw/zinc/70/74/85/573707485.db2.gz RSYDUVRXWPCNIB-VOTSOKGWSA-N 0 0 144.214 1.086 10 0 ADAERN CN(C)c1ccc(F)c(C[NH3+])c1 75844813 573707487 /nfs/dbraw/zinc/70/74/87/573707487.db2.gz VMRZKRKIDYIZGY-UHFFFAOYSA-N 0 0 168.215 1.350 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1ccoc1 236535053 573707622 /nfs/dbraw/zinc/70/76/22/573707622.db2.gz DKVXZFVSTJQCAU-NXEZZACHSA-N 0 0 182.219 1.220 10 0 ADAERN C[C@](O)(Cc1ccccn1)C1CC1 83950608 573707523 /nfs/dbraw/zinc/70/75/23/573707523.db2.gz VITAFMPWDLESCD-NSHDSACASA-N 0 0 177.247 1.785 10 0 ADAERN NC1=NC2(CCCCCC2)CO1 83952568 573708025 /nfs/dbraw/zinc/70/80/25/573708025.db2.gz FIUYKZAAPWKPJT-UHFFFAOYSA-N 0 0 168.240 1.424 10 0 ADAERN COC(=O)NCC(F)(F)C1CCC1 393553853 573707507 /nfs/dbraw/zinc/70/75/07/573707507.db2.gz LAGCEWSIRFKHAE-UHFFFAOYSA-N 0 0 193.193 1.778 10 0 ADAERN Oc1ccc2c(c1)-c1nncn1CC2 108240601 573707518 /nfs/dbraw/zinc/70/75/18/573707518.db2.gz WWZSJRNJXQAYSZ-UHFFFAOYSA-N 0 0 187.202 1.207 10 0 ADAERN CC(=O)[C@@]1(C)C(=O)CC[C@@H]1C 238477516 573708027 /nfs/dbraw/zinc/70/80/27/573708027.db2.gz BDEOLTRMMPSUDX-RCOVLWMOSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H]1CCCCC[C@H]1NC(N)=O 83949478 573707544 /nfs/dbraw/zinc/70/75/44/573707544.db2.gz IOAUBIKNQSXTCW-JGVFFNPUSA-N 0 0 170.256 1.624 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[C@H]([NH3+])c1ccoc1 308690181 573707550 /nfs/dbraw/zinc/70/75/50/573707550.db2.gz RFUUCPSCDAYUEK-PSASIEDQSA-N 0 0 197.234 1.780 10 0 ADAERN Cc1cc(C2(O)CC2)c(C=O)cc1F 258100888 573707557 /nfs/dbraw/zinc/70/75/57/573707557.db2.gz OSRDWOSPROELPG-UHFFFAOYSA-N 0 0 194.205 1.928 10 0 ADAERN C[C@H]1C[C@](O)(C(F)(F)F)CS1 86939005 573707562 /nfs/dbraw/zinc/70/75/62/573707562.db2.gz WQVRSPVYARXQNM-CRCLSJGQSA-N 0 0 186.198 1.805 10 0 ADAERN O[C@H]1CSC[C@@H]1C/C=C/Cl 236544549 573707572 /nfs/dbraw/zinc/70/75/72/573707572.db2.gz IRNDAPBERVSSDD-GFYDDSRDSA-N 0 0 178.684 1.853 10 0 ADAERN CCCCC(=O)CCCCO 14492689 573708030 /nfs/dbraw/zinc/70/80/30/573708030.db2.gz ZFBDCQRXEHJKHT-UHFFFAOYSA-N 0 0 158.241 1.908 10 0 ADAERN CCCOC[C@@]1(O)CCSC1 86938198 573707593 /nfs/dbraw/zinc/70/75/93/573707593.db2.gz CXDZZKROVRGMFR-QMMMGPOBSA-N 0 0 176.281 1.281 10 0 ADAERN C[C@@H]1C[C@@](O)(c2nccn2C)CS1 86938515 573707598 /nfs/dbraw/zinc/70/75/98/573707598.db2.gz TZUJNSJMWBSOTI-APPZFPTMSA-N 0 0 198.291 1.133 10 0 ADAERN C[C@H]([NH3+])c1ccnn1C(C)(C)C 75845346 573707599 /nfs/dbraw/zinc/70/75/99/573707599.db2.gz GFHCHRCYHMJCBK-ZETCQYMHSA-N 0 0 167.256 1.658 10 0 ADAERN O[C@H]1C=C(Cc2ccccn2)CC1 83952339 573707602 /nfs/dbraw/zinc/70/76/02/573707602.db2.gz IQMDEKMEMLXGOT-LLVKDONJSA-N 0 0 175.231 1.705 10 0 ADAERN CC[C@](C)(O)Cc1ccncc1 83950601 573707610 /nfs/dbraw/zinc/70/76/10/573707610.db2.gz SJWKMVZKPDWWEI-JTQLQIEISA-N 0 0 165.236 1.785 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1ccncc1 236530182 573707613 /nfs/dbraw/zinc/70/76/13/573707613.db2.gz KHPKZBIKDVDVKS-WDEREUQCSA-N 0 0 193.246 1.022 10 0 ADAERN CC(=O)[C@@H]1CC[C@H](C)[C@@H](NC=O)C1 238477330 573707614 /nfs/dbraw/zinc/70/76/14/573707614.db2.gz GTSNIXDLJMHYQD-SFGNSQDASA-N 0 0 183.251 1.126 10 0 ADAERN Cc1ccc2oc(CO)nc2c1 75844768 573707618 /nfs/dbraw/zinc/70/76/18/573707618.db2.gz TYMYWHHIEZNZQY-UHFFFAOYSA-N 0 0 163.176 1.629 10 0 ADAERN Cc1ccc(C2=[NH+]CCCN2)c([O-])c1 238477468 573708032 /nfs/dbraw/zinc/70/80/32/573708032.db2.gz DKNUUSRDJALTFY-UHFFFAOYSA-N 0 0 190.246 1.441 10 0 ADAERN C[C@H]1NCCn2cnc(Cl)c21 238477648 573707626 /nfs/dbraw/zinc/70/76/26/573707626.db2.gz SIJXUDZCWXDNKZ-RXMQYKEDSA-N 0 0 171.631 1.201 10 0 ADAERN Cc1cnn([C@H]2CS[C@@H](C)C2)c1N 86936471 573707645 /nfs/dbraw/zinc/70/76/45/573707645.db2.gz NCTBIICEPWXRGC-JGVFFNPUSA-N 0 0 197.307 1.840 10 0 ADAERN COc1ccc(CON)cc1SC 258100179 573707646 /nfs/dbraw/zinc/70/76/46/573707646.db2.gz KOLREKNUHSVHPB-UHFFFAOYSA-N 0 0 199.275 1.807 10 0 ADAERN COCC(=O)N[C@H]1CCCCC[C@H]1C 83950182 573707651 /nfs/dbraw/zinc/70/76/51/573707651.db2.gz OEXBDIGEBBGBCB-ZJUUUORDSA-N 0 0 199.294 1.718 10 0 ADAERN CCn1nccc1[C@]1(O)CCSC1 86938233 573707665 /nfs/dbraw/zinc/70/76/65/573707665.db2.gz ZAJROOQHORHYJH-VIFPVBQESA-N 0 0 198.291 1.228 10 0 ADAERN O[C@@]1(Cc2ccncc2)CCSC1 86938336 573707671 /nfs/dbraw/zinc/70/76/71/573707671.db2.gz NEEPEVBYWRRRLU-SNVBAGLBSA-N 0 0 195.287 1.492 10 0 ADAERN CC(C)OC[C@]1(O)CCSC1 86937959 573707675 /nfs/dbraw/zinc/70/76/75/573707675.db2.gz AFXWNGLXNDKPHZ-MRVPVSSYSA-N 0 0 176.281 1.279 10 0 ADAERN CC(C)[C@@]1(O)CS[C@@H](C)C1 86939276 573707679 /nfs/dbraw/zinc/70/76/79/573707679.db2.gz PXRNLHCAXSMQJK-YUMQZZPRSA-N 0 0 160.282 1.899 10 0 ADAERN CC1=NO[C@@H]2C[C@H](C)CC(=O)[C@@H]12 238477346 573707683 /nfs/dbraw/zinc/70/76/83/573707683.db2.gz CQLSTNGOHYOISR-JISRMSBWSA-N 0 0 167.208 1.376 10 0 ADAERN O[C@@H]1CCOC[C@@H]1CC1CC1 236528386 573707687 /nfs/dbraw/zinc/70/76/87/573707687.db2.gz IOIVMQUGFXEYQC-DTWKUNHWSA-N 0 0 156.225 1.184 10 0 ADAERN CC(C)C[C@]1(C)COC(N)=N1 83952569 573707690 /nfs/dbraw/zinc/70/76/90/573707690.db2.gz DSINGSYNTRNCRY-MRVPVSSYSA-N 0 0 156.229 1.136 10 0 ADAERN CC[C@H](C)[C@H](O)COCC(F)F 130761070 573707694 /nfs/dbraw/zinc/70/76/94/573707694.db2.gz ZUWAXNWKJROTEH-NKWVEPMBSA-N 0 0 182.210 1.675 10 0 ADAERN C[C@@H]1C[C@](O)(c2cncnc2)CS1 86938695 573707700 /nfs/dbraw/zinc/70/77/00/573707700.db2.gz BLAOPLZRICULLE-VXNVDRBHSA-N 0 0 196.275 1.190 10 0 ADAERN C[C@H]1CCCCC[C@@H]1NC=O 83950187 573707704 /nfs/dbraw/zinc/70/77/04/573707704.db2.gz HSLFVJPNGZESLD-IUCAKERBSA-N 0 0 155.241 1.701 10 0 ADAERN CCO[C@@H](C)[C@@H](O)Cc1ccoc1 130761040 573707717 /nfs/dbraw/zinc/70/77/17/573707717.db2.gz REBHLNBCBVMKGQ-WPRPVWTQSA-N 0 0 184.235 1.608 10 0 ADAERN COc1cc(C)c(C)cc1N(C)CO 258888781 573707721 /nfs/dbraw/zinc/70/77/21/573707721.db2.gz JBQHZLOKCJHNCZ-UHFFFAOYSA-N 0 0 195.262 1.698 10 0 ADAERN Cc1cnn([C@@H]2CS[C@@H](C)C2)c1N 86936472 573707722 /nfs/dbraw/zinc/70/77/22/573707722.db2.gz NCTBIICEPWXRGC-YUMQZZPRSA-N 0 0 197.307 1.840 10 0 ADAERN C[N@@H+]1CCC[C@@H]1/C=C\CC(=O)[O-] 258100231 573707723 /nfs/dbraw/zinc/70/77/23/573707723.db2.gz HAVSUSLTFWCHAN-LTMVXPGCSA-N 0 0 169.224 1.112 10 0 ADAERN C[C@H]1C[C@@](O)(c2ccnn2C)CS1 86938936 573707735 /nfs/dbraw/zinc/70/77/35/573707735.db2.gz MIUJJJLYZAOAFL-CBAPKCEASA-N 0 0 198.291 1.133 10 0 ADAERN C[C@H]1C[C@H](Nc2cn[nH]c2)CS1 86934835 573707748 /nfs/dbraw/zinc/70/77/48/573707748.db2.gz YAPKIZKDUYXHBM-BQBZGAKWSA-N 0 0 183.280 1.716 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1ccncc1 83950244 573707749 /nfs/dbraw/zinc/70/77/49/573707749.db2.gz XXVINKBNNMVFSC-WCBMZHEXSA-N 0 0 175.231 1.849 10 0 ADAERN O[C@H](CC1OCCO1)c1ccco1 236533634 573707750 /nfs/dbraw/zinc/70/77/50/573707750.db2.gz XBXQNOXDMLAOBS-SSDOTTSWSA-N 0 0 184.191 1.076 10 0 ADAERN C[C@H](O)[C@@H]1CCc2ccccc2[C@@H]1O 238477723 573707757 /nfs/dbraw/zinc/70/77/57/573707757.db2.gz PRBVRJDYPUBNIP-PTOFAABTSA-N 0 0 192.258 1.663 10 0 ADAERN O[C@@H]1CCC[C@H]1Cc1ccccn1 83951744 573707787 /nfs/dbraw/zinc/70/77/87/573707787.db2.gz GKLCSXJFISOWDF-GXSJLCMTSA-N 0 0 177.247 1.785 10 0 ADAERN CCCCOc1ccnc(C#N)n1 393553886 573707789 /nfs/dbraw/zinc/70/77/89/573707789.db2.gz LGECHCNBRIJMHC-UHFFFAOYSA-N 0 0 177.207 1.527 10 0 ADAERN CC(=O)[C@@H]1CC[C@H](C)[C@@](C)(O)C1 238477383 573707792 /nfs/dbraw/zinc/70/77/92/573707792.db2.gz NZARJWQUFUCIKA-SFGNSQDASA-N 0 0 170.252 1.763 10 0 ADAERN CC1=Nc2cncnc2N=C(C)C1 238477660 573707794 /nfs/dbraw/zinc/70/77/94/573707794.db2.gz HRHHSGGDZXSFOF-UHFFFAOYSA-N 0 0 174.207 1.898 10 0 ADAERN O[C@H]1CC[C@H](Cc2ccccn2)C1 83952238 573707807 /nfs/dbraw/zinc/70/78/07/573707807.db2.gz JYLIKOUMHFQPNE-KOLCDFICSA-N 0 0 177.247 1.785 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1cscn1 236530281 573707808 /nfs/dbraw/zinc/70/78/08/573707808.db2.gz RHXRIPZJEKQEEG-IONNQARKSA-N 0 0 199.275 1.083 10 0 ADAERN O[C@H]1CCC[C@H]1Cc1cncc(F)c1 236541188 573707813 /nfs/dbraw/zinc/70/78/13/573707813.db2.gz BCZRWCPQQPHHFY-ONGXEEELSA-N 0 0 195.237 1.924 10 0 ADAERN Cc1ccc(C2=NCCCO2)c(O)c1 238477495 573707815 /nfs/dbraw/zinc/70/78/15/573707815.db2.gz WDRURZQLIDPBGA-UHFFFAOYSA-N 0 0 191.230 1.868 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1ccccn1 83951474 573707816 /nfs/dbraw/zinc/70/78/16/573707816.db2.gz WUEQEEBFGHNNQY-FBIMIBRVSA-N 0 0 177.247 1.641 10 0 ADAERN C[C@H](O)[C@@H]1CCc2c(O)cccc2C1 238477686 573707846 /nfs/dbraw/zinc/70/78/46/573707846.db2.gz XPWKRUGXDLCKFM-DTWKUNHWSA-N 0 0 192.258 1.878 10 0 ADAERN ONCc1occc1Br 236533561 573707858 /nfs/dbraw/zinc/70/78/58/573707858.db2.gz AQKHDCPTHIRKHR-UHFFFAOYSA-N 0 0 192.012 1.521 10 0 ADAERN CSCc1c[nH+]c(N)n1C(C)C 258100619 573707864 /nfs/dbraw/zinc/70/78/64/573707864.db2.gz IMBUMBGEVYJWOK-UHFFFAOYSA-N 0 0 185.296 1.909 10 0 ADAERN OC1(Cc2ccccn2)CCOCC1 83950648 573707875 /nfs/dbraw/zinc/70/78/75/573707875.db2.gz GAWNVCXWFZPBRY-UHFFFAOYSA-N 0 0 193.246 1.166 10 0 ADAERN O=C1CCCN[C@@H]1c1ccccc1F 258890222 573707882 /nfs/dbraw/zinc/70/78/82/573707882.db2.gz NSRCZJNXCOOZNY-LLVKDONJSA-N 0 0 193.221 1.819 10 0 ADAERN Cc1ccc(C2CNC(=O)N=N2)cc1 238477672 573707897 /nfs/dbraw/zinc/70/78/97/573707897.db2.gz SPCOCLZEILNFQF-UHFFFAOYSA-N 0 0 189.218 1.012 10 0 ADAERN Nc1cnc(Cc2ccccn2)cn1 83951140 573707911 /nfs/dbraw/zinc/70/79/11/573707911.db2.gz LITQPJCNIXXJPK-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN CC(=O)N[C@@H]1C[C@H](C(C)=O)CC[C@@H]1C 238477365 573707925 /nfs/dbraw/zinc/70/79/25/573707925.db2.gz XYCKRMDVYRBFRZ-WHGOUJPWSA-N 0 0 197.278 1.516 10 0 ADAERN O=c1[nH]ccn1-c1ccccc1O 108265860 573707944 /nfs/dbraw/zinc/70/79/44/573707944.db2.gz RGJGZAJBWOCWKO-UHFFFAOYSA-N 0 0 176.175 1.284 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1ccccn1 236530115 573708060 /nfs/dbraw/zinc/70/80/60/573708060.db2.gz LVQLVAZLFZFWBB-GXSJLCMTSA-N 0 0 193.246 1.022 10 0 ADAERN Cc1[nH]c2c(c(=O)c1C)CCC2 238477299 573708062 /nfs/dbraw/zinc/70/80/62/573708062.db2.gz UIFMUBWDTSZHBT-UHFFFAOYSA-N 0 0 163.220 1.480 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1ccco1 236530141 573708068 /nfs/dbraw/zinc/70/80/68/573708068.db2.gz GJYSHNNLMMPYNK-WCBMZHEXSA-N 0 0 182.219 1.220 10 0 ADAERN [NH3+]C[C@H](C(=O)[O-])[C@@H]1CC=CCC1 108265309 573708076 /nfs/dbraw/zinc/70/80/76/573708076.db2.gz JCYFIGZTRZZZEM-SFYZADRCSA-N 0 0 169.224 1.002 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@](C)(F)C(=O)[O-])C1 257850476 573708078 /nfs/dbraw/zinc/70/80/78/573708078.db2.gz OSRUFCHFINKDQS-APPZFPTMSA-N 0 0 189.230 1.141 10 0 ADAERN O[C@H]1CCC[C@H]1Cc1ccncc1 83951738 573708109 /nfs/dbraw/zinc/70/81/09/573708109.db2.gz HEUILUNJTKJHCK-QWRGUYRKSA-N 0 0 177.247 1.785 10 0 ADAERN CC[C@H](C)C[C@]1(C(=O)[O-])CCC[NH2+]1 215694027 573708120 /nfs/dbraw/zinc/70/81/20/573708120.db2.gz VDMKWNCIBHBFMB-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN CN[C@H](O)c1ccc(F)cc1F 259561206 573708124 /nfs/dbraw/zinc/70/81/24/573708124.db2.gz WFDMVWFRBLIYFZ-MRVPVSSYSA-N 0 0 173.162 1.175 10 0 ADAERN O[C@@H](Cc1ccccn1)[C@@H]1CCCO1 83951420 573708125 /nfs/dbraw/zinc/70/81/25/573708125.db2.gz ZXLKZPTWQBSWPN-QWRGUYRKSA-N 0 0 193.246 1.164 10 0 ADAERN C[C@@H]1CCCCC[C@H]1NC(N)=O 83949477 573708132 /nfs/dbraw/zinc/70/81/32/573708132.db2.gz IOAUBIKNQSXTCW-HTQZYQBOSA-N 0 0 170.256 1.624 10 0 ADAERN O[C@@H]1CCOC[C@@H]1C/C=C/Cl 236529406 573708137 /nfs/dbraw/zinc/70/81/37/573708137.db2.gz HBOLBFOPNQGDRO-VBNHIRRKSA-N 0 0 176.643 1.526 10 0 ADAERN C[C@@](O)(Cc1ccccn1)C1CC1 83950607 573708138 /nfs/dbraw/zinc/70/81/38/573708138.db2.gz VITAFMPWDLESCD-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN COC(=O)[C@](N)(C1CC1)C(C)(C)F 257850522 573708142 /nfs/dbraw/zinc/70/81/42/573708142.db2.gz OUNCXKZYFNSIDB-SECBINFHSA-N 0 0 189.230 1.015 10 0 ADAERN CC[C@@](C)(O)Cc1ccncc1 83950602 573708147 /nfs/dbraw/zinc/70/81/47/573708147.db2.gz SJWKMVZKPDWWEI-SNVBAGLBSA-N 0 0 165.236 1.785 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Cc1ccncc1 83950243 573708162 /nfs/dbraw/zinc/70/81/62/573708162.db2.gz XXVINKBNNMVFSC-PSASIEDQSA-N 0 0 175.231 1.849 10 0 ADAERN CC1=C[C@H](C)NC(=O)[C@@H](C)C1 238477273 573708167 /nfs/dbraw/zinc/70/81/67/573708167.db2.gz OTLVFQQHFFMCPU-YUMQZZPRSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@@H]([NH2+][C@H]1C[C@H]1CO)c1ccccc1 308691220 573708187 /nfs/dbraw/zinc/70/81/87/573708187.db2.gz JSPHKMCAJGNGHE-USWWRNFRSA-N 0 0 191.274 1.718 10 0 ADAERN C[C@H]1CCCCC[C@H]1[NH2+]CC(=O)[O-] 83949048 573708230 /nfs/dbraw/zinc/70/82/30/573708230.db2.gz LAOFBXCLQLOQOB-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN OC[C@H]1CCSC[C@@H]1F 259561295 573708233 /nfs/dbraw/zinc/70/82/33/573708233.db2.gz CJHCFYQGZSGPHT-RITPCOANSA-N 0 0 150.218 1.070 10 0 ADAERN O[C@H]1COC[C@@H]1Cc1ccc(F)cc1 687965037 573708236 /nfs/dbraw/zinc/70/82/36/573708236.db2.gz UXTSXNNSERSRFJ-ONGXEEELSA-N 0 0 196.221 1.376 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1cncs1 236530253 573708270 /nfs/dbraw/zinc/70/82/70/573708270.db2.gz MCYSMZKKOAQDFG-IONNQARKSA-N 0 0 199.275 1.083 10 0 ADAERN O[C@H](CC1OCCO1)C1CCCC1 236531249 573708243 /nfs/dbraw/zinc/70/82/43/573708243.db2.gz RZZBDJTVUNMFMG-SECBINFHSA-N 0 0 186.251 1.301 10 0 ADAERN CC[C@](C)(O)Cc1ccccn1 83950597 573708268 /nfs/dbraw/zinc/70/82/68/573708268.db2.gz DFIKSOUXFOFSIB-JTQLQIEISA-N 0 0 165.236 1.785 10 0 ADAERN O[C@H](Cc1ccncc1)C1CCC1 83951350 573708277 /nfs/dbraw/zinc/70/82/77/573708277.db2.gz LHTTVHCYFHBUKP-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN Nc1ncccc1Cc1ccncc1 83951192 573708297 /nfs/dbraw/zinc/70/82/97/573708297.db2.gz BVMLFLZGGUTNIG-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN CCOC[C@@]1(O)CS[C@@H](C)C1 86939596 573708315 /nfs/dbraw/zinc/70/83/15/573708315.db2.gz BAJCRULYTYGSDZ-JGVFFNPUSA-N 0 0 176.281 1.279 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1ccncc1 83951470 573708316 /nfs/dbraw/zinc/70/83/16/573708316.db2.gz ANDLCGFIMKXJQD-FBIMIBRVSA-N 0 0 177.247 1.641 10 0 ADAERN Cc1cc(CCO)oc1C 238477730 573708325 /nfs/dbraw/zinc/70/83/25/573708325.db2.gz VZUGORHRIMWWMF-UHFFFAOYSA-N 0 0 140.182 1.431 10 0 ADAERN O[C@@H]1CCOC[C@H]1CC(F)(F)F 236532782 573708338 /nfs/dbraw/zinc/70/83/38/573708338.db2.gz CVTPSBMDKJUOEE-PHDIDXHHSA-N 0 0 184.157 1.336 10 0 ADAERN CC[C@H]([NH3+])c1ccc(CC(=O)[O-])nc1 238315561 573708367 /nfs/dbraw/zinc/70/83/67/573708367.db2.gz ZHCNJZYHUYXECV-VIFPVBQESA-N 0 0 194.234 1.119 10 0 ADAERN CC(=O)CN(C)c1ccc(F)cc1F 258888801 573708385 /nfs/dbraw/zinc/70/83/85/573708385.db2.gz JCVMOPOFYPVZQD-UHFFFAOYSA-N 0 0 199.200 1.990 10 0 ADAERN C[C@@H](O)Cc1ccc(F)c(CO)c1 258101046 573708392 /nfs/dbraw/zinc/70/83/92/573708392.db2.gz OVANJJAINKEFCO-SSDOTTSWSA-N 0 0 184.210 1.241 10 0 ADAERN C[C@H](O)[C@@H]1CC[C@@H]2CCCCN2C1=O 238477585 573708420 /nfs/dbraw/zinc/70/84/20/573708420.db2.gz YCPRNBIRQPZJGT-GUBZILKMSA-N 0 0 197.278 1.158 10 0 ADAERN O=c1[nH]ccn1C1CCC(O)CC1 108267006 573708434 /nfs/dbraw/zinc/70/84/34/573708434.db2.gz MBCNHGMEMOTVSA-UHFFFAOYSA-N 0 0 182.223 1.065 10 0 ADAERN CC=C[C@@H](O)c1c(Cl)cnn1C 642818170 573708439 /nfs/dbraw/zinc/70/84/39/573708439.db2.gz DKPDSHYLTHHNNK-KGGZQZJCSA-N 0 0 185.634 1.108 10 0 ADAERN CN[C@@H](NN)c1ccc(Cl)cc1 259176964 573708443 /nfs/dbraw/zinc/70/84/43/573708443.db2.gz JPWZXPWAUUNZEL-QMMMGPOBSA-N 0 0 185.658 1.021 10 0 ADAERN O[C@H](CC1OCCO1)C1=CCCCC1 236531180 573708452 /nfs/dbraw/zinc/70/84/52/573708452.db2.gz HARGUIZKTFAMIN-SNVBAGLBSA-N 0 0 198.262 1.611 10 0 ADAERN C[C@@H]1CCc2cccc(CON)c2O1 258101054 573708457 /nfs/dbraw/zinc/70/84/57/573708457.db2.gz OVDKCSNMYMNKRE-MRVPVSSYSA-N 0 0 193.246 1.790 10 0 ADAERN Cc1nc(Cl)c2n1CCN[C@@H]2C 238477384 573708467 /nfs/dbraw/zinc/70/84/67/573708467.db2.gz PKHXBKVSNNXIHA-RXMQYKEDSA-N 0 0 185.658 1.509 10 0 ADAERN CC1CCC(C(=O)NC[C@@H](C)O)CC1 122183448 573708475 /nfs/dbraw/zinc/70/84/75/573708475.db2.gz PXORPYHVXVAREC-HWOCKDDLSA-N 0 0 199.294 1.310 10 0 ADAERN Cc1cc(O)cc(C)c1NC(N)=O 238477326 573708505 /nfs/dbraw/zinc/70/85/05/573708505.db2.gz JQKOTCZQBKSTJT-UHFFFAOYSA-N 0 0 180.207 1.500 10 0 ADAERN O[C@H](Cc1ccncc1)[C@H]1CCCO1 83951417 573708508 /nfs/dbraw/zinc/70/85/08/573708508.db2.gz PCHZWMVGNQRVOT-GHMZBOCLSA-N 0 0 193.246 1.164 10 0 ADAERN C[C@@H](O)C1(F)CCCC1 257850225 573708518 /nfs/dbraw/zinc/70/85/18/573708518.db2.gz RJCNSRUFDIWYQO-ZCFIWIBFSA-N 0 0 132.178 1.650 10 0 ADAERN C[C@H](O)[C@@H]1CC(=O)c2ccccc2C1 238477496 573708522 /nfs/dbraw/zinc/70/85/22/573708522.db2.gz KREMOVRYGWHTPU-WPRPVWTQSA-N 0 0 190.242 1.813 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1ccoc1 236530212 573708539 /nfs/dbraw/zinc/70/85/39/573708539.db2.gz DKVXZFVSTJQCAU-VHSXEESVSA-N 0 0 182.219 1.220 10 0 ADAERN CN(C)c1ccc(F)c(C(N)=S)c1 75851748 573708561 /nfs/dbraw/zinc/70/85/61/573708561.db2.gz XABVBKZEXQNJQU-UHFFFAOYSA-N 0 0 198.266 1.526 10 0 ADAERN O[C@H]1CC[C@@H](Cc2ccccn2)C1 83952236 573708562 /nfs/dbraw/zinc/70/85/62/573708562.db2.gz JYLIKOUMHFQPNE-ONGXEEELSA-N 0 0 177.247 1.785 10 0 ADAERN C[C@@H](O)/C=C1/CC1(C)C 238477497 573708571 /nfs/dbraw/zinc/70/85/71/573708571.db2.gz VKRJDHMRSYHSPA-CDXJMXTPSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H](O)C1(F)CCCC1 257850222 573708572 /nfs/dbraw/zinc/70/85/72/573708572.db2.gz RJCNSRUFDIWYQO-LURJTMIESA-N 0 0 132.178 1.650 10 0 ADAERN Cc1ccc(C(C)C)c(O)c1C(N)=O 75847633 573708579 /nfs/dbraw/zinc/70/85/79/573708579.db2.gz CDXLCTUKIHZMMX-UHFFFAOYSA-N 0 0 193.246 1.923 10 0 ADAERN c1nc(OC2CCCC2)c[nH]1 238011859 573708584 /nfs/dbraw/zinc/70/85/84/573708584.db2.gz RKBWXNDQUIJXOK-UHFFFAOYSA-N 0 0 152.197 1.731 10 0 ADAERN C[NH+]1CC(c2cccc(CCO)c2)C1 258100926 573708609 /nfs/dbraw/zinc/70/86/09/573708609.db2.gz OTUFEEZBENFTKL-UHFFFAOYSA-N 0 0 191.274 1.250 10 0 ADAERN COc1ccc(C)cc1[C@H](O)N(C)C 259559700 573708611 /nfs/dbraw/zinc/70/86/11/573708611.db2.gz ORKPXPNHTDCUJJ-NSHDSACASA-N 0 0 195.262 1.556 10 0 ADAERN CN(C)c1ccc(C(N)=S)c(F)c1 75851760 573708616 /nfs/dbraw/zinc/70/86/16/573708616.db2.gz AMROJZCCHKBEHS-UHFFFAOYSA-N 0 0 198.266 1.526 10 0 ADAERN C[C@@](O)(c1ncccn1)C(F)(F)F 75846363 573708627 /nfs/dbraw/zinc/70/86/27/573708627.db2.gz ZACBMLADHIAPSL-ZCFIWIBFSA-N 0 0 192.140 1.246 10 0 ADAERN CCC(=O)[C@@H](O)C1CCCC1 258887962 573708632 /nfs/dbraw/zinc/70/86/32/573708632.db2.gz TWSWGZIQFMDQHA-VIFPVBQESA-N 0 0 156.225 1.517 10 0 ADAERN Cc1ccc2nc(C(N)=O)oc2c1 75847584 573708636 /nfs/dbraw/zinc/70/86/36/573708636.db2.gz KNKCKPFJMFJWRA-UHFFFAOYSA-N 0 0 176.175 1.235 10 0 ADAERN O[C@]1(Cc2ccncc2)CCCOC1 83950807 573708655 /nfs/dbraw/zinc/70/86/55/573708655.db2.gz QCXKJOUJUYJYCM-NSHDSACASA-N 0 0 193.246 1.166 10 0 ADAERN C[C@H](O)c1c(F)ccc2c1CCO2 258100941 573708664 /nfs/dbraw/zinc/70/86/64/573708664.db2.gz OTVBKDXFJATGHH-LURJTMIESA-N 0 0 182.194 1.814 10 0 ADAERN C[C@@H](CO)[C@@H]1Cc2ccccc2N1 257850175 573708669 /nfs/dbraw/zinc/70/86/69/573708669.db2.gz DVHNUKLDAYDHEM-KWQFWETISA-N 0 0 177.247 1.652 10 0 ADAERN O[C@@H]1CCOC[C@@H]1[C@@H]1C=CCCC1 236530878 573708679 /nfs/dbraw/zinc/70/86/79/573708679.db2.gz INVHBMPVMZVHFY-GMTAPVOTSA-N 0 0 182.263 1.740 10 0 ADAERN NCC(=O)c1ccc2cnccc2c1 108267527 573708689 /nfs/dbraw/zinc/70/86/89/573708689.db2.gz CHMQDRGJOWBFJB-UHFFFAOYSA-N 0 0 186.214 1.376 10 0 ADAERN CC(C)[C@H]([NH3+])c1cncc(C(=O)[O-])c1 75854138 573708690 /nfs/dbraw/zinc/70/86/90/573708690.db2.gz GMOCUGVZYBYDAX-VIFPVBQESA-N 0 0 194.234 1.436 10 0 ADAERN O[C@H]1CC[C@@H](Cc2ccncc2)C1 83952243 573708691 /nfs/dbraw/zinc/70/86/91/573708691.db2.gz JZPKZHYLVDQBPA-QWRGUYRKSA-N 0 0 177.247 1.785 10 0 ADAERN C[C@H](O)c1ccc(O)c(F)c1 75853303 573708697 /nfs/dbraw/zinc/70/86/97/573708697.db2.gz HXGFGGQHVBUIFM-YFKPBYRVSA-N 0 0 156.156 1.585 10 0 ADAERN [NH3+]C[C@H](C(=O)[O-])[C@H]1CC=CCC1 108265310 573708698 /nfs/dbraw/zinc/70/86/98/573708698.db2.gz JCYFIGZTRZZZEM-YUMQZZPRSA-N 0 0 169.224 1.002 10 0 ADAERN O[C@@H]1CCOC[C@H]1CC1CCC1 236532850 573708706 /nfs/dbraw/zinc/70/87/06/573708706.db2.gz ZCZYCZLOJBMHRV-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN CCC(=O)C1CCC(O)CC1 198520110 573708709 /nfs/dbraw/zinc/70/87/09/573708709.db2.gz VYWUFKBAGYHVMJ-UHFFFAOYSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@H](CO)[C@@H]1Cc2ccccc2N1 257850174 573708713 /nfs/dbraw/zinc/70/87/13/573708713.db2.gz DVHNUKLDAYDHEM-KCJUWKMLSA-N 0 0 177.247 1.652 10 0 ADAERN CC[C@@H](C)C[C@@]1(C(=O)[O-])CCC[NH2+]1 215694074 573708725 /nfs/dbraw/zinc/70/87/25/573708725.db2.gz VDMKWNCIBHBFMB-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H](O)Cc1ccc(F)c(CO)c1 258101051 573708727 /nfs/dbraw/zinc/70/87/27/573708727.db2.gz OVANJJAINKEFCO-ZETCQYMHSA-N 0 0 184.210 1.241 10 0 ADAERN CCCc1ccc(N)c(=O)n1C1CC1 257850467 573708734 /nfs/dbraw/zinc/70/87/34/573708734.db2.gz ORSKDGCWKWVECG-UHFFFAOYSA-N 0 0 192.262 1.718 10 0 ADAERN CCOC[C@]1(O)CS[C@@H](C)C1 86939599 573708737 /nfs/dbraw/zinc/70/87/37/573708737.db2.gz BAJCRULYTYGSDZ-YUMQZZPRSA-N 0 0 176.281 1.279 10 0 ADAERN O=C1CC[C@H](Cc2ccncc2)C1 83951903 573708743 /nfs/dbraw/zinc/70/87/43/573708743.db2.gz SONZCALNTPEPDE-SNVBAGLBSA-N 0 0 175.231 1.993 10 0 ADAERN Cn1c(=O)ccc2c3c([nH]c21)CCC3 257850531 573708764 /nfs/dbraw/zinc/70/87/64/573708764.db2.gz OUQJFTGRLUGARY-UHFFFAOYSA-N 0 0 188.230 1.355 10 0 ADAERN O[C@H](c1ccncc1F)[C@@H]1CCOC1 122193473 573708771 /nfs/dbraw/zinc/70/87/71/573708771.db2.gz LLTZEPWDJFAJLI-XCBNKYQSSA-N 0 0 197.209 1.291 10 0 ADAERN O[C@H](Cn1cccc1)C(F)F 236540649 573708781 /nfs/dbraw/zinc/70/87/81/573708781.db2.gz RAAYRHLENMLTFY-ZCFIWIBFSA-N 0 0 161.151 1.114 10 0 ADAERN CC(C)n1nccc1[C@@H](C)O 75853213 573708783 /nfs/dbraw/zinc/70/87/83/573708783.db2.gz CVXBVGPFLAQCBM-SSDOTTSWSA-N 0 0 154.213 1.517 10 0 ADAERN O[C@@H]1CCC[C@@H]1Cc1ccncc1 83951741 573708786 /nfs/dbraw/zinc/70/87/86/573708786.db2.gz HEUILUNJTKJHCK-GHMZBOCLSA-N 0 0 177.247 1.785 10 0 ADAERN C[C@@](O)(c1nccs1)C(F)(F)F 75846229 573708794 /nfs/dbraw/zinc/70/87/94/573708794.db2.gz QKHFNJUSNVDDEA-RXMQYKEDSA-N 0 0 197.181 1.913 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)[O-] 83949045 573708797 /nfs/dbraw/zinc/70/87/97/573708797.db2.gz LAOFBXCLQLOQOB-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN O=Cc1cccc2c1CCCO2 108264610 573708818 /nfs/dbraw/zinc/70/88/18/573708818.db2.gz DOJBNJQLPOGDPI-UHFFFAOYSA-N 0 0 162.188 1.824 10 0 ADAERN C[C@H](O)c1nc2cccnc2s1 75852921 573708819 /nfs/dbraw/zinc/70/88/19/573708819.db2.gz UGIFYLGLUAQFMB-YFKPBYRVSA-N 0 0 180.232 1.745 10 0 ADAERN CO[C@@]12O[C@@H]1C(C)(C)CCC2=O 223297811 573708821 /nfs/dbraw/zinc/70/88/21/573708821.db2.gz GCSMPSLVASCVET-APPZFPTMSA-N 0 0 170.208 1.117 10 0 ADAERN C[C@@H](O)c1ccc(O)c(F)c1 75853304 573708827 /nfs/dbraw/zinc/70/88/27/573708827.db2.gz HXGFGGQHVBUIFM-RXMQYKEDSA-N 0 0 156.156 1.585 10 0 ADAERN C/C=C\C[N@H+](CC(=O)[O-])[C@H](C)CC 215337182 573708828 /nfs/dbraw/zinc/70/88/28/573708828.db2.gz WILCRNXOMSYVJJ-XTULLQBASA-N 0 0 185.267 1.748 10 0 ADAERN O[C@@H](Cc1ccccn1)[C@H]1CCCO1 83951422 573708834 /nfs/dbraw/zinc/70/88/34/573708834.db2.gz ZXLKZPTWQBSWPN-WDEREUQCSA-N 0 0 193.246 1.164 10 0 ADAERN O[C@H]1CCC[C@@H]1Cc1ccccn1 83951743 573708869 /nfs/dbraw/zinc/70/88/69/573708869.db2.gz GKLCSXJFISOWDF-KOLCDFICSA-N 0 0 177.247 1.785 10 0 ADAERN Cc1nc([C@H](C)O)n(C)c1C 75852964 573708879 /nfs/dbraw/zinc/70/88/79/573708879.db2.gz CYSTZDVQMHTMFH-ZETCQYMHSA-N 0 0 154.213 1.090 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1ccsc1 236530225 573708891 /nfs/dbraw/zinc/70/88/91/573708891.db2.gz HMAFXZKOSCYQOX-VHSXEESVSA-N 0 0 198.287 1.688 10 0 ADAERN CC(C)[C@@H](O)c1cnc(N(C)C)nc1 75853571 573708893 /nfs/dbraw/zinc/70/88/93/573708893.db2.gz NKODHMOIPJNGDT-SECBINFHSA-N 0 0 195.266 1.232 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1cncs1 236535098 573708901 /nfs/dbraw/zinc/70/89/01/573708901.db2.gz MCYSMZKKOAQDFG-VXNVDRBHSA-N 0 0 199.275 1.083 10 0 ADAERN O=C1CC[C@@H](Cc2ccccn2)C1 83951900 573708912 /nfs/dbraw/zinc/70/89/12/573708912.db2.gz IINBPNCRLDMTGL-VIFPVBQESA-N 0 0 175.231 1.993 10 0 ADAERN O[C@H](CCC1CC1)CC1OCCO1 236539662 573708928 /nfs/dbraw/zinc/70/89/28/573708928.db2.gz WEDLSKWTEFSGHM-SECBINFHSA-N 0 0 186.251 1.301 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)C1CCCC1 236531173 573708946 /nfs/dbraw/zinc/70/89/46/573708946.db2.gz OPYKRLIFODLQME-ZJUUUORDSA-N 0 0 170.252 1.308 10 0 ADAERN Cc1nn(C)c(C)c1[C@@H](O)C(C)C 75853437 573708950 /nfs/dbraw/zinc/70/89/50/573708950.db2.gz QFARMOYDLYNLLP-JTQLQIEISA-N 0 0 182.267 1.726 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1ccccn1 83951472 573708969 /nfs/dbraw/zinc/70/89/69/573708969.db2.gz WUEQEEBFGHNNQY-DVVUODLYSA-N 0 0 177.247 1.641 10 0 ADAERN c1c[nH]c(OC2CCCC2)n1 238012031 573708972 /nfs/dbraw/zinc/70/89/72/573708972.db2.gz ZGKUHVLKQXSBCD-UHFFFAOYSA-N 0 0 152.197 1.731 10 0 ADAERN COC(=O)c1nc2ccccc2n1O 75852295 573709004 /nfs/dbraw/zinc/70/90/04/573709004.db2.gz SACHYPYBQRGWES-UHFFFAOYSA-N 0 0 192.174 1.060 10 0 ADAERN O[C@@H]1CCOC[C@@H]1CCCF 236528617 573709018 /nfs/dbraw/zinc/70/90/18/573709018.db2.gz ICHMRHBYDKVIHI-JGVFFNPUSA-N 0 0 162.204 1.134 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)C2CCC2)O1 122181774 573709037 /nfs/dbraw/zinc/70/90/37/573709037.db2.gz ZVQQTGXDRDQBFK-APPZFPTMSA-N 0 0 168.236 1.923 10 0 ADAERN C[C@H](O)[C@H](F)C1CC1 257850239 573709044 /nfs/dbraw/zinc/70/90/44/573709044.db2.gz RJUYEGOUCJAKGH-NJGYIYPDSA-N 0 0 118.151 1.115 10 0 ADAERN C[C@](O)(Cc1ccncc1)C1CC1 83950610 573709055 /nfs/dbraw/zinc/70/90/55/573709055.db2.gz IDNGSODECOATOQ-NSHDSACASA-N 0 0 177.247 1.785 10 0 ADAERN COC(=O)CC[C@H]1CSC[C@@H]1F 259619027 573709065 /nfs/dbraw/zinc/70/90/65/573709065.db2.gz GBNJYDINABUKKB-BQBZGAKWSA-N 0 0 192.255 1.641 10 0 ADAERN Cc1nc2c(C)cc(CO)nc2[nH]1 238490797 573709076 /nfs/dbraw/zinc/70/90/76/573709076.db2.gz VJKMEPGCPNVXHV-UHFFFAOYSA-N 0 0 177.207 1.067 10 0 ADAERN CCOC1(CCOC(N)=O)CC1 238315661 573709088 /nfs/dbraw/zinc/70/90/88/573709088.db2.gz RJJSXOFZNAEVHT-UHFFFAOYSA-N 0 0 173.212 1.041 10 0 ADAERN OCCCc1cc2c(cc1O)CCC2 258100891 573709097 /nfs/dbraw/zinc/70/90/97/573709097.db2.gz OSVOAWFBUFXNJA-UHFFFAOYSA-N 0 0 192.258 1.806 10 0 ADAERN C[C@@H]([NH2+][C@@H]1C[C@H]1CO)c1ccccc1 308691207 573709104 /nfs/dbraw/zinc/70/91/04/573709104.db2.gz JSPHKMCAJGNGHE-ADEWGFFLSA-N 0 0 191.274 1.718 10 0 ADAERN C[C@H](O)c1nc2cnccc2s1 75852923 573709111 /nfs/dbraw/zinc/70/91/11/573709111.db2.gz KKKRZMUADQCHAB-YFKPBYRVSA-N 0 0 180.232 1.745 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1NC(N)=S 83949459 573709131 /nfs/dbraw/zinc/70/91/31/573709131.db2.gz HSCJXDXWUGDIKQ-SFYZADRCSA-N 0 0 186.324 1.788 10 0 ADAERN C[C@H](O)c1nc2ncccc2o1 75852887 573709132 /nfs/dbraw/zinc/70/91/32/573709132.db2.gz GIAGTQUQZGOOJY-YFKPBYRVSA-N 0 0 164.164 1.276 10 0 ADAERN Cc1cnc(CN(C)C)n1C(C)C 257850501 573709138 /nfs/dbraw/zinc/70/91/38/573709138.db2.gz BJCQNCOSVCTOSS-UHFFFAOYSA-N 0 0 181.283 1.834 10 0 ADAERN COC(=O)[C@@](N)(C(C)C)C(C)(C)F 257850491 573709153 /nfs/dbraw/zinc/70/91/53/573709153.db2.gz OTIOXQLADPNXOW-VIFPVBQESA-N 0 0 191.246 1.261 10 0 ADAERN C[C@@H]1C[C@]2(CS1)CC(=O)NC2(C)C 86941687 573709169 /nfs/dbraw/zinc/70/91/69/573709169.db2.gz CTJAZTNVGUUTCS-GMSGAONNSA-N 0 0 199.319 1.797 10 0 ADAERN O[C@@H](Cc1ccncc1)[C@H]1CCCO1 83951416 573709175 /nfs/dbraw/zinc/70/91/75/573709175.db2.gz PCHZWMVGNQRVOT-WDEREUQCSA-N 0 0 193.246 1.164 10 0 ADAERN C[C@@H]1CCCCC[C@H]1NC(N)=S 83949461 573709176 /nfs/dbraw/zinc/70/91/76/573709176.db2.gz HSCJXDXWUGDIKQ-HTQZYQBOSA-N 0 0 186.324 1.788 10 0 ADAERN Cc1nc(C2(O)CCCC2)n(C)c1C 75846776 573709178 /nfs/dbraw/zinc/70/91/78/573709178.db2.gz RSUQTWXVOWZEEW-UHFFFAOYSA-N 0 0 194.278 1.799 10 0 ADAERN C[C@H]1C[C@@](O)(C2CC2)CS1 86939731 573709181 /nfs/dbraw/zinc/70/91/81/573709181.db2.gz SPLKOBZHUMBLCD-XPUUQOCRSA-N 0 0 158.266 1.653 10 0 ADAERN O[C@@H]1CC[C@H](Cc2ccccn2)C1 83952242 573709185 /nfs/dbraw/zinc/70/91/85/573709185.db2.gz JYLIKOUMHFQPNE-MWLCHTKSSA-N 0 0 177.247 1.785 10 0 ADAERN COC(=O)CC[C@H]1CSC[C@H]1F 259619030 573709190 /nfs/dbraw/zinc/70/91/90/573709190.db2.gz GBNJYDINABUKKB-NKWVEPMBSA-N 0 0 192.255 1.641 10 0 ADAERN O[C@H]1CCC[C@H]1Cc1ccccn1 83951742 573709215 /nfs/dbraw/zinc/70/92/15/573709215.db2.gz GKLCSXJFISOWDF-ONGXEEELSA-N 0 0 177.247 1.785 10 0 ADAERN COc1cc(O)cc([C@H](C)[NH3+])c1OC 258100909 573709229 /nfs/dbraw/zinc/70/92/29/573709229.db2.gz OTNVEJLFZADRKA-LURJTMIESA-N 0 0 197.234 1.429 10 0 ADAERN C[P@](=O)([O-])C[NH2+]Cc1ccccc1 238491131 573709236 /nfs/dbraw/zinc/70/92/36/573709236.db2.gz PQYMHRZWMYTBAA-UHFFFAOYSA-N 0 0 199.190 1.634 10 0 ADAERN CC[C@@H](C)C[C@]1(C(=O)[O-])CCC[NH2+]1 215693979 573709239 /nfs/dbraw/zinc/70/92/39/573709239.db2.gz VDMKWNCIBHBFMB-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN COC(=O)CC[C@@H]1CSC[C@H]1F 259619037 573709257 /nfs/dbraw/zinc/70/92/57/573709257.db2.gz GBNJYDINABUKKB-RNFRBKRXSA-N 0 0 192.255 1.641 10 0 ADAERN C[C@@H]1C[C@](O)(C2CC2)CS1 86939724 573709273 /nfs/dbraw/zinc/70/92/73/573709273.db2.gz SPLKOBZHUMBLCD-HTRCEHHLSA-N 0 0 158.266 1.653 10 0 ADAERN Cc1coc(C(C)(C)O)n1 75846133 573709277 /nfs/dbraw/zinc/70/92/77/573709277.db2.gz OZOHQNSRVUOEPX-UHFFFAOYSA-N 0 0 141.170 1.210 10 0 ADAERN C[C@H](O)C[C@@H](C)OCC(F)F 130776420 573709293 /nfs/dbraw/zinc/70/92/93/573709293.db2.gz YNPNYVALHAZZQB-NTSWFWBYSA-N 0 0 168.183 1.428 10 0 ADAERN C[C@H](O)c1cc(F)ccc1N 75853305 573709295 /nfs/dbraw/zinc/70/92/95/573709295.db2.gz DZMXDTGNWZYAHF-YFKPBYRVSA-N 0 0 155.172 1.461 10 0 ADAERN C[C@H]([NH3+])C(=O)NCCC1(C)CCCC1 308688644 573709304 /nfs/dbraw/zinc/70/93/04/573709304.db2.gz QQHDJYWLQZSJQO-VIFPVBQESA-N 0 0 198.310 1.420 10 0 ADAERN Cc1ccc2c(c1)N[C@H](C(N)=O)CC2 257850474 573709333 /nfs/dbraw/zinc/70/93/33/573709333.db2.gz OSERKWVBQILAQS-VIFPVBQESA-N 0 0 190.246 1.207 10 0 ADAERN OC1(Cc2ccccn2)CCCC1 83950587 573709348 /nfs/dbraw/zinc/70/93/48/573709348.db2.gz ZRINKXMBJDHTCD-UHFFFAOYSA-N 0 0 177.247 1.929 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cncc(C(=O)[O-])c1 75854139 573709351 /nfs/dbraw/zinc/70/93/51/573709351.db2.gz GMOCUGVZYBYDAX-SECBINFHSA-N 0 0 194.234 1.436 10 0 ADAERN CCOC[C@H](O)Cc1ccoc1 130799076 573709352 /nfs/dbraw/zinc/70/93/52/573709352.db2.gz LYDMUFLINGHNFM-SECBINFHSA-N 0 0 170.208 1.220 10 0 ADAERN Cc1ccc(-c2noc(CCO)n2)o1 258100527 573709357 /nfs/dbraw/zinc/70/93/57/573709357.db2.gz RZYPTSJDSOTDBW-UHFFFAOYSA-N 0 0 194.190 1.173 10 0 ADAERN C[C@@H](O)c1nc2cccnc2s1 75852922 573709378 /nfs/dbraw/zinc/70/93/78/573709378.db2.gz UGIFYLGLUAQFMB-RXMQYKEDSA-N 0 0 180.232 1.745 10 0 ADAERN C[C@@]1(C[C@@H]2CO2)CCCCC1=O 238490914 573709380 /nfs/dbraw/zinc/70/93/80/573709380.db2.gz STVDTXSGRHVVSL-SCZZXKLOSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1c(Cl)ccc(C(N)=O)c1F 75847321 573709390 /nfs/dbraw/zinc/70/93/90/573709390.db2.gz ZFESECHCKNVWTK-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN Cn1cc(C(=O)[O-])c2c[nH+]ccc21 108265888 573709394 /nfs/dbraw/zinc/70/93/94/573709394.db2.gz JCXIJCIEYHSUGB-UHFFFAOYSA-N 0 0 176.175 1.272 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1ccncc1 83951468 573709396 /nfs/dbraw/zinc/70/93/96/573709396.db2.gz ANDLCGFIMKXJQD-DVVUODLYSA-N 0 0 177.247 1.641 10 0 ADAERN CC(C)[C@H](O)c1ncccc1F 75853552 573709397 /nfs/dbraw/zinc/70/93/97/573709397.db2.gz DAAKPCILKRPSHS-VIFPVBQESA-N 0 0 169.199 1.910 10 0 ADAERN CC(C)[C@@H](O)c1ncccc1F 75853553 573709409 /nfs/dbraw/zinc/70/94/09/573709409.db2.gz DAAKPCILKRPSHS-SECBINFHSA-N 0 0 169.199 1.910 10 0 ADAERN CCc1nc2c(o1)CC[C@H](O)C2 258100223 573709416 /nfs/dbraw/zinc/70/94/16/573709416.db2.gz UZYGUKSQKFMOFX-LURJTMIESA-N 0 0 167.208 1.087 10 0 ADAERN O[C@@H]1CC[C@H](Cc2ccncc2)C1 83952247 573710608 /nfs/dbraw/zinc/71/06/08/573710608.db2.gz JZPKZHYLVDQBPA-GHMZBOCLSA-N 0 0 177.247 1.785 10 0 ADAERN Cc1nc2ccc(N(C)CO)cc2o1 258888807 573709431 /nfs/dbraw/zinc/70/94/31/573709431.db2.gz JDBGRRPTDQJSSA-UHFFFAOYSA-N 0 0 192.218 1.522 10 0 ADAERN OC1(c2cn[nH]c2)CCCC1 75846609 573709433 /nfs/dbraw/zinc/70/94/33/573709433.db2.gz WWMZAOTWUBSKSY-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN COc1ccc(C)c(CON)c1OC 258100875 573709436 /nfs/dbraw/zinc/70/94/36/573709436.db2.gz OSLKJNCTSYEMAI-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN O[C@H](Cc1ccncc1)[C@@H]1CCCO1 83951415 573709444 /nfs/dbraw/zinc/70/94/44/573709444.db2.gz PCHZWMVGNQRVOT-MNOVXSKESA-N 0 0 193.246 1.164 10 0 ADAERN CO[C@@](C)(CO)Cc1ccccc1F 257850035 573709445 /nfs/dbraw/zinc/70/94/45/573709445.db2.gz MJYLAYDNPARVMP-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN ONCc1ccc(OCC2CC2)cc1 258096066 573710486 /nfs/dbraw/zinc/71/04/86/573710486.db2.gz OHHJUPVTAUWJQA-UHFFFAOYSA-N 0 0 193.246 1.954 10 0 ADAERN C[C@H]1C[C@]2(CS1)CC(=O)NC2(C)C 86941688 573709455 /nfs/dbraw/zinc/70/94/55/573709455.db2.gz CTJAZTNVGUUTCS-OIBJUYFYSA-N 0 0 199.319 1.797 10 0 ADAERN O[C@@H]1CCOC[C@H]1CCCF 236532965 573709458 /nfs/dbraw/zinc/70/94/58/573709458.db2.gz ICHMRHBYDKVIHI-HTQZYQBOSA-N 0 0 162.204 1.134 10 0 ADAERN CCOC[C@@]1(O)CS[C@H](C)C1 86939602 573709462 /nfs/dbraw/zinc/70/94/62/573709462.db2.gz BAJCRULYTYGSDZ-HTQZYQBOSA-N 0 0 176.281 1.279 10 0 ADAERN O[C@H]1CCC[C@@H]1Cc1ccncc1 83951739 573709464 /nfs/dbraw/zinc/70/94/64/573709464.db2.gz HEUILUNJTKJHCK-MNOVXSKESA-N 0 0 177.247 1.785 10 0 ADAERN CC(C)n1nccc1C(N)=S 75851973 573709469 /nfs/dbraw/zinc/70/94/69/573709469.db2.gz WLNOZMFOCXEFID-UHFFFAOYSA-N 0 0 169.253 1.098 10 0 ADAERN Cc1cc(CO)ncc1C(F)F 238490970 573709470 /nfs/dbraw/zinc/70/94/70/573709470.db2.gz XNCIFQCCAFEEGC-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN C[C@@H]([NH2+][C@@H]1C[C@@H]1CO)c1ccccc1 308691224 573709487 /nfs/dbraw/zinc/70/94/87/573709487.db2.gz JSPHKMCAJGNGHE-YUSALJHKSA-N 0 0 191.274 1.718 10 0 ADAERN OCC1(CNc2ccc[nH]2)CC1 258890300 573709492 /nfs/dbraw/zinc/70/94/92/573709492.db2.gz KAFYJKMPCQUMOK-UHFFFAOYSA-N 0 0 166.224 1.199 10 0 ADAERN C[C@@H]1C(=O)C[C@H]2CCCC[N@H+]21 238490921 573709494 /nfs/dbraw/zinc/70/94/94/573709494.db2.gz GBOLVLMTRNMGPG-HTQZYQBOSA-N 0 0 153.225 1.202 10 0 ADAERN C[C@@H](O)c1cnc(C(F)(F)F)nc1 75852896 573709505 /nfs/dbraw/zinc/70/95/05/573709505.db2.gz YKUZLSRYYPHUEJ-SCSAIBSYSA-N 0 0 192.140 1.549 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1ccsc1 236535064 573709533 /nfs/dbraw/zinc/70/95/33/573709533.db2.gz HMAFXZKOSCYQOX-NXEZZACHSA-N 0 0 198.287 1.688 10 0 ADAERN CNC(=O)c1nc2ccncc2s1 75852533 573709534 /nfs/dbraw/zinc/70/95/34/573709534.db2.gz DNYVKIWVZJCFNW-UHFFFAOYSA-N 0 0 193.231 1.051 10 0 ADAERN O[C@@H]1CCOC[C@H]1[C@@H]1C=CCCC1 236535737 573709560 /nfs/dbraw/zinc/70/95/60/573709560.db2.gz INVHBMPVMZVHFY-OUAUKWLOSA-N 0 0 182.263 1.740 10 0 ADAERN COC(=O)[C@](N)(C(C)C)C(C)(C)F 257850490 573709598 /nfs/dbraw/zinc/70/95/98/573709598.db2.gz OTIOXQLADPNXOW-SECBINFHSA-N 0 0 191.246 1.261 10 0 ADAERN Cc1ccc(N)cc1C(N)=S 75851765 573709607 /nfs/dbraw/zinc/70/96/07/573709607.db2.gz LUCZLKSBXWJHCQ-UHFFFAOYSA-N 0 0 166.249 1.211 10 0 ADAERN O[C@H](Cc1ccccn1)[C@@H]1CCCO1 83951421 573709608 /nfs/dbraw/zinc/70/96/08/573709608.db2.gz ZXLKZPTWQBSWPN-MNOVXSKESA-N 0 0 193.246 1.164 10 0 ADAERN CCOC(=O)[C@@H]1CC[C@@H](O)[C@@H](C)C1 259560011 573709613 /nfs/dbraw/zinc/70/96/13/573709613.db2.gz IHPKPVWMFZNGPW-DJLDLDEBSA-N 0 0 186.251 1.347 10 0 ADAERN Cc1cn(C)c2nc(Cl)[nH]c(=O)c12 238490672 573709621 /nfs/dbraw/zinc/70/96/21/573709621.db2.gz VEMDDMFBOZWKAB-UHFFFAOYSA-N 0 0 197.625 1.223 10 0 ADAERN O[C@@H](c1ccncc1F)[C@H]1CCOC1 122193683 573709640 /nfs/dbraw/zinc/70/96/40/573709640.db2.gz LLTZEPWDJFAJLI-OIBJUYFYSA-N 0 0 197.209 1.291 10 0 ADAERN O=Cc1cc2c([nH]1)CCSC2 108265074 573709642 /nfs/dbraw/zinc/70/96/42/573709642.db2.gz OPIOMYNTKAOIDG-UHFFFAOYSA-N 0 0 167.233 1.617 10 0 ADAERN Cc1coc([C@@H](O)C(C)C)n1 75853885 573709644 /nfs/dbraw/zinc/70/96/44/573709644.db2.gz JDHKVSYIZANENX-ZETCQYMHSA-N 0 0 155.197 1.672 10 0 ADAERN O[C@@H]1CCOC[C@@H]1CC1CCC1 236528401 573709675 /nfs/dbraw/zinc/70/96/75/573709675.db2.gz ZCZYCZLOJBMHRV-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@@H](c1ccoc1)C1(O)CCCC1 236538785 573709681 /nfs/dbraw/zinc/70/96/81/573709681.db2.gz IRZQSTPRJSVJFU-VIFPVBQESA-N 0 0 182.219 1.618 10 0 ADAERN O[C@H]1C=C(Cc2ccncc2)CC1 83952342 573709686 /nfs/dbraw/zinc/70/96/86/573709686.db2.gz QMAHECSJUKZBPT-LLVKDONJSA-N 0 0 175.231 1.705 10 0 ADAERN C[C@H]1C[C@](O)(C2CC2)CS1 86939726 573709690 /nfs/dbraw/zinc/70/96/90/573709690.db2.gz SPLKOBZHUMBLCD-POYBYMJQSA-N 0 0 158.266 1.653 10 0 ADAERN COCC(=O)N[C@H]1CCCCC[C@@H]1C 83950183 573709696 /nfs/dbraw/zinc/70/96/96/573709696.db2.gz OEXBDIGEBBGBCB-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)C2CCC2)O1 122181962 573709698 /nfs/dbraw/zinc/70/96/98/573709698.db2.gz ZVQQTGXDRDQBFK-CBAPKCEASA-N 0 0 168.236 1.923 10 0 ADAERN O[C@@H]1CCOC[C@@H]1CCC1CC1 236528502 573709756 /nfs/dbraw/zinc/70/97/56/573709756.db2.gz XTHUTOGGKRCMGJ-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN CCOC[C@]1(O)CS[C@H](C)C1 86939604 573709766 /nfs/dbraw/zinc/70/97/66/573709766.db2.gz BAJCRULYTYGSDZ-SFYZADRCSA-N 0 0 176.281 1.279 10 0 ADAERN CC[C@@](C)(O)Cc1ccccn1 83950598 573709804 /nfs/dbraw/zinc/70/98/04/573709804.db2.gz DFIKSOUXFOFSIB-SNVBAGLBSA-N 0 0 165.236 1.785 10 0 ADAERN C[C@H]1CCc2[nH]c(C=O)cc2C1 108264682 573709806 /nfs/dbraw/zinc/70/98/06/573709806.db2.gz GROYWHAUSLZNTR-ZETCQYMHSA-N 0 0 163.220 1.952 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1cccs1 236534988 573709813 /nfs/dbraw/zinc/70/98/13/573709813.db2.gz HJZZFFVISPSZEO-PSASIEDQSA-N 0 0 198.287 1.688 10 0 ADAERN C[C@@H]1O[C@H](C)Cc2[nH]c(=O)cc(O)c21 238491161 573709834 /nfs/dbraw/zinc/70/98/34/573709834.db2.gz DUGOKSLCTRHAMU-RITPCOANSA-N 0 0 195.218 1.103 10 0 ADAERN O=Cc1cccc(-n2cc[nH]c2=O)c1 108267711 573709840 /nfs/dbraw/zinc/70/98/40/573709840.db2.gz UVAZEXIOCFNNKR-UHFFFAOYSA-N 0 0 188.186 1.390 10 0 ADAERN C[C@H](CO)[C@H]1Cc2ccccc2N1 257850176 573709844 /nfs/dbraw/zinc/70/98/44/573709844.db2.gz DVHNUKLDAYDHEM-LDYMZIIASA-N 0 0 177.247 1.652 10 0 ADAERN O[C@@H]1CCC[C@@H]1Sc1ncco1 236535555 573709845 /nfs/dbraw/zinc/70/98/45/573709845.db2.gz SHJQZOZHGXHVFS-RQJHMYQMSA-N 0 0 185.248 1.680 10 0 ADAERN C[C@H]1CC[C@@]1(C(N)=O)c1ccccc1 238491019 573709848 /nfs/dbraw/zinc/70/98/48/573709848.db2.gz NYBUGNOXCMMUEU-CABZTGNLSA-N 0 0 189.258 1.840 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]12CS[C@@H](C)C2 86941697 573709853 /nfs/dbraw/zinc/70/98/53/573709853.db2.gz YMZCBBQTNFYDPG-NRPADANISA-N 0 0 199.319 1.797 10 0 ADAERN CC(=O)CC[C@]1(O)CC[C@H](C)O1 238490981 573709863 /nfs/dbraw/zinc/70/98/63/573709863.db2.gz HRVBCFCFPHHAAH-DTWKUNHWSA-N 0 0 172.224 1.243 10 0 ADAERN CC(C)c1nnc2n1[C@H](CO)CCC2 258417985 573709911 /nfs/dbraw/zinc/70/99/11/573709911.db2.gz VTWVLKFWJTXCCZ-QMMMGPOBSA-N 0 0 195.266 1.271 10 0 ADAERN Cc1ccc(N)cc1[C@H](C)O 75852803 573709929 /nfs/dbraw/zinc/70/99/29/573709929.db2.gz WCDSCULRDMOINN-ZETCQYMHSA-N 0 0 151.209 1.631 10 0 ADAERN C[C@H]1CCCCC[C@H]1NC=O 83950189 573709932 /nfs/dbraw/zinc/70/99/32/573709932.db2.gz HSLFVJPNGZESLD-DTWKUNHWSA-N 0 0 155.241 1.701 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1nccs1 236530304 573709944 /nfs/dbraw/zinc/70/99/44/573709944.db2.gz DWYVINUMFNLFCE-JGVFFNPUSA-N 0 0 199.275 1.083 10 0 ADAERN O[C@@]1(Cc2ccncc2)CCCOC1 83950806 573709953 /nfs/dbraw/zinc/70/99/53/573709953.db2.gz QCXKJOUJUYJYCM-LLVKDONJSA-N 0 0 193.246 1.166 10 0 ADAERN ONCc1ccc2cnccc2c1 236533667 573709962 /nfs/dbraw/zinc/70/99/62/573709962.db2.gz IFOBARPJECGERQ-UHFFFAOYSA-N 0 0 174.203 1.714 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1ccccn1 236534943 573709972 /nfs/dbraw/zinc/70/99/72/573709972.db2.gz LVQLVAZLFZFWBB-MWLCHTKSSA-N 0 0 193.246 1.022 10 0 ADAERN CC(C)(C)n1nc(C=O)c2c1COC2 257850427 573709977 /nfs/dbraw/zinc/70/99/77/573709977.db2.gz OQNLXUHEMBEDLD-UHFFFAOYSA-N 0 0 194.234 1.481 10 0 ADAERN O[C@@H](Cn1cccc1)C(F)F 236541197 573709980 /nfs/dbraw/zinc/70/99/80/573709980.db2.gz RAAYRHLENMLTFY-LURJTMIESA-N 0 0 161.151 1.114 10 0 ADAERN C[C@@]1(C[C@H]2CO2)CCCCC1=O 238491009 573709985 /nfs/dbraw/zinc/70/99/85/573709985.db2.gz STVDTXSGRHVVSL-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN FCc1cnc(Br)nc1 257850528 573709987 /nfs/dbraw/zinc/70/99/87/573709987.db2.gz OUNVGHYJHSXDPV-UHFFFAOYSA-N 0 0 191.003 1.709 10 0 ADAERN Cc1cnc2c(O)ccc(O)c2c1 238490711 573709998 /nfs/dbraw/zinc/70/99/98/573709998.db2.gz CBEMHSNCDUSQMY-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN O[C@@H]1CCC[C@H]1Cc1ccncc1 83951740 573710006 /nfs/dbraw/zinc/71/00/06/573710006.db2.gz HEUILUNJTKJHCK-WDEREUQCSA-N 0 0 177.247 1.785 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@@](C)(F)C(=O)[O-])C1 257850480 573710011 /nfs/dbraw/zinc/71/00/11/573710011.db2.gz OSRUFCHFINKDQS-VXNVDRBHSA-N 0 0 189.230 1.141 10 0 ADAERN Cc1ccc(O)c2c1[C@@H](C)OC2=O 238491163 573710021 /nfs/dbraw/zinc/71/00/21/573710021.db2.gz AYQJFCOABJYUOD-ZCFIWIBFSA-N 0 0 178.187 1.932 10 0 ADAERN C[C@H]1C[C@@](C)(O)CS1 86939626 573710038 /nfs/dbraw/zinc/71/00/38/573710038.db2.gz ZYXONTWVZBEDFP-NTSWFWBYSA-N 0 0 132.228 1.263 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1ccncc1 236535022 573710046 /nfs/dbraw/zinc/71/00/46/573710046.db2.gz KHPKZBIKDVDVKS-GHMZBOCLSA-N 0 0 193.246 1.022 10 0 ADAERN Cc1cc(CO)[nH]c(=O)c1C(F)F 238490553 573710639 /nfs/dbraw/zinc/71/06/39/573710639.db2.gz ANDVDWHHRITHTJ-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN Cc1cc(C(C)(C)C)nn1CO 238491168 573710059 /nfs/dbraw/zinc/71/00/59/573710059.db2.gz HEESBFMWEFKMHY-UHFFFAOYSA-N 0 0 168.240 1.439 10 0 ADAERN CN1C[C@@H](C2CCCC2)N(C)C1=O 259561375 573710073 /nfs/dbraw/zinc/71/00/73/573710073.db2.gz ULLPIYDJPOVLOQ-VIFPVBQESA-N 0 0 182.267 1.542 10 0 ADAERN C[C@@H](O)c1nc2ccc(N)cc2s1 75852908 573710090 /nfs/dbraw/zinc/71/00/90/573710090.db2.gz OHJCHBDIUIIBHZ-RXMQYKEDSA-N 0 0 194.259 1.932 10 0 ADAERN O[C@]1(Cc2ccccn2)CCCOC1 83950805 573710092 /nfs/dbraw/zinc/71/00/92/573710092.db2.gz ZXJSXHRQUCMMNN-NSHDSACASA-N 0 0 193.246 1.166 10 0 ADAERN COCC(=O)N[C@@H]1CCCCC[C@H]1C 83950184 573710096 /nfs/dbraw/zinc/71/00/96/573710096.db2.gz OEXBDIGEBBGBCB-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN CCn1[nH]c(=O)c2ccc(OC)cc21 257850566 573710160 /nfs/dbraw/zinc/71/01/60/573710160.db2.gz OVTGMEFWMRMTFJ-UHFFFAOYSA-N 0 0 192.218 1.358 10 0 ADAERN OC[C@@H]1CCSC[C@@H]1F 259561306 573710170 /nfs/dbraw/zinc/71/01/70/573710170.db2.gz CJHCFYQGZSGPHT-WDSKDSINSA-N 0 0 150.218 1.070 10 0 ADAERN O=C(Cc1ccccn1)c1ncccn1 83951076 573710174 /nfs/dbraw/zinc/71/01/74/573710174.db2.gz PUUMHDLLDMZXSN-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN O[C@@H](c1ccncc1F)[C@@H]1CCOC1 122193174 573710179 /nfs/dbraw/zinc/71/01/79/573710179.db2.gz LLTZEPWDJFAJLI-GMSGAONNSA-N 0 0 197.209 1.291 10 0 ADAERN CN(C)c1cccc(F)c1C(N)=S 75851750 573710185 /nfs/dbraw/zinc/71/01/85/573710185.db2.gz AMGQSTLLXZWZMW-UHFFFAOYSA-N 0 0 198.266 1.526 10 0 ADAERN c1nc(NC2CCCCC2)n[nH]1 238011211 573710198 /nfs/dbraw/zinc/71/01/98/573710198.db2.gz FAPOQSYMCITJDE-UHFFFAOYSA-N 0 0 166.228 1.549 10 0 ADAERN CC(C)(O)c1ccnn1C(C)(C)C 75846121 573710237 /nfs/dbraw/zinc/71/02/37/573710237.db2.gz PSMOFLALCRLXBY-UHFFFAOYSA-N 0 0 182.267 1.866 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])[C@H]1CC=CCC1 108265306 573710246 /nfs/dbraw/zinc/71/02/46/573710246.db2.gz JCYFIGZTRZZZEM-JGVFFNPUSA-N 0 0 169.224 1.002 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1NC=O 83950186 573710251 /nfs/dbraw/zinc/71/02/51/573710251.db2.gz HSLFVJPNGZESLD-BDAKNGLRSA-N 0 0 155.241 1.701 10 0 ADAERN O[C@@H](c1cccnc1)C1(O)CCCC1 236533807 573710274 /nfs/dbraw/zinc/71/02/74/573710274.db2.gz IUTASKQJTTZPTQ-JTQLQIEISA-N 0 0 193.246 1.420 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccncc1 83950241 573710283 /nfs/dbraw/zinc/71/02/83/573710283.db2.gz XXVINKBNNMVFSC-SCZZXKLOSA-N 0 0 175.231 1.849 10 0 ADAERN NOCCc1ccc(CF)cc1 258095981 573710287 /nfs/dbraw/zinc/71/02/87/573710287.db2.gz XGSBONCEQIUDSH-UHFFFAOYSA-N 0 0 169.199 1.589 10 0 ADAERN CC(C)[N@H+](C)CC1(C(=O)[O-])CCC1 258888240 573710304 /nfs/dbraw/zinc/71/03/04/573710304.db2.gz CWCIFOHRIPICMP-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[C@H](O)COc1cccnc1 258096594 573710305 /nfs/dbraw/zinc/71/03/05/573710305.db2.gz KBPICFNACOTRIB-VIFPVBQESA-N 0 0 181.235 1.621 10 0 ADAERN C[C@H]1CCCCC[C@@H]1NC(N)=O 83949476 573710320 /nfs/dbraw/zinc/71/03/20/573710320.db2.gz IOAUBIKNQSXTCW-YUMQZZPRSA-N 0 0 170.256 1.624 10 0 ADAERN C[C@H]1CCC2=C(CCC(=O)N2)C1 238491083 573710335 /nfs/dbraw/zinc/71/03/35/573710335.db2.gz DALIDPLCCDLQFE-ZETCQYMHSA-N 0 0 165.236 1.971 10 0 ADAERN C[C@H]1CCCCC[C@@H]1[NH2+]CC(=O)[O-] 83949046 573710337 /nfs/dbraw/zinc/71/03/37/573710337.db2.gz LAOFBXCLQLOQOB-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN Cn1c(C(=O)[O-])cc2c[nH+]ccc21 108265892 573710369 /nfs/dbraw/zinc/71/03/69/573710369.db2.gz JUOQNWYLIVOOFY-UHFFFAOYSA-N 0 0 176.175 1.272 10 0 ADAERN O[C@@H]1CCOC[C@H]1C/C=C/Cl 236533544 573710371 /nfs/dbraw/zinc/71/03/71/573710371.db2.gz HBOLBFOPNQGDRO-SCYODADLSA-N 0 0 176.643 1.526 10 0 ADAERN O[C@@H]1CCOC[C@@H]1CCC(F)(F)F 236528487 573710377 /nfs/dbraw/zinc/71/03/77/573710377.db2.gz DHINCOIEXIILNP-NKWVEPMBSA-N 0 0 198.184 1.726 10 0 ADAERN CC[C@@H]([NH2+]C)C(C)(C)CC(=O)[O-] 259561178 573710407 /nfs/dbraw/zinc/71/04/07/573710407.db2.gz WEYGAYMKTAQPLT-SSDOTTSWSA-N 0 0 173.256 1.485 10 0 ADAERN Cc1nc2c(c(=O)[nH]1)SC[C@H](C)C2 238491193 573710414 /nfs/dbraw/zinc/71/04/14/573710414.db2.gz JNSRHRIKBNIXJU-RXMQYKEDSA-N 0 0 196.275 1.363 10 0 ADAERN O[C@H](CC1OCCO1)c1ccoc1 236533666 573710426 /nfs/dbraw/zinc/71/04/26/573710426.db2.gz SSJSTPHOXWHYNB-MRVPVSSYSA-N 0 0 184.191 1.076 10 0 ADAERN Cc1nc(C(F)F)c(C=O)cc1N 238491242 573710433 /nfs/dbraw/zinc/71/04/33/573710433.db2.gz GWEKIXONYDGOAX-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN OC1(Cc2ccncc2)CCOCC1 83950649 573710441 /nfs/dbraw/zinc/71/04/41/573710441.db2.gz JEJFLSIUVNVWKK-UHFFFAOYSA-N 0 0 193.246 1.166 10 0 ADAERN COc1cccc2c1[C@](C)(O)CCN2 257850432 573710442 /nfs/dbraw/zinc/71/04/42/573710442.db2.gz OQTNWAJCKVZEDW-LLVKDONJSA-N 0 0 193.246 1.718 10 0 ADAERN COc1c(C(=O)[O-])c[nH+]c2c1CCC2 257850441 573710466 /nfs/dbraw/zinc/71/04/66/573710466.db2.gz ORJIPFPLIHTDNP-UHFFFAOYSA-N 0 0 193.202 1.277 10 0 ADAERN O[C@@H]1CCOC[C@H]1C1CCCC1 236532720 573710469 /nfs/dbraw/zinc/71/04/69/573710469.db2.gz SHUOGUQWQDLLDP-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN COC(=O)[C@@](N)(C1CC1)C(C)(C)F 257850523 573710481 /nfs/dbraw/zinc/71/04/81/573710481.db2.gz OUNCXKZYFNSIDB-VIFPVBQESA-N 0 0 189.230 1.015 10 0 ADAERN Cc1nc2c(C)cc(CO)nc2o1 238490901 573710485 /nfs/dbraw/zinc/71/04/85/573710485.db2.gz AVBQTIJQMYLGJS-UHFFFAOYSA-N 0 0 178.191 1.332 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2CCCC[N@H+]21 238490942 573710492 /nfs/dbraw/zinc/71/04/92/573710492.db2.gz GBOLVLMTRNMGPG-SFYZADRCSA-N 0 0 153.225 1.202 10 0 ADAERN CC[C@H](C)C[C@@]1(C(=O)[O-])CCC[NH2+]1 215694122 573710498 /nfs/dbraw/zinc/71/04/98/573710498.db2.gz VDMKWNCIBHBFMB-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])[C@@H]1CC=CCC1 108265303 573710500 /nfs/dbraw/zinc/71/05/00/573710500.db2.gz JCYFIGZTRZZZEM-HTQZYQBOSA-N 0 0 169.224 1.002 10 0 ADAERN Nc1ccc(Cc2ccncc2)cn1 83951199 573710510 /nfs/dbraw/zinc/71/05/10/573710510.db2.gz ODDIVVLPYIICJV-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN O[C@@]1(Cc2ccccn2)CCCOC1 83950804 573710541 /nfs/dbraw/zinc/71/05/41/573710541.db2.gz ZXJSXHRQUCMMNN-LLVKDONJSA-N 0 0 193.246 1.166 10 0 ADAERN COc1ccc(C)cc1[C@@H](O)N(C)C 259559699 573710555 /nfs/dbraw/zinc/71/05/55/573710555.db2.gz ORKPXPNHTDCUJJ-LLVKDONJSA-N 0 0 195.262 1.556 10 0 ADAERN C[C@@H]1Cc2[nH]c(=O)cc(O)c2[C@@H](C)O1 238491137 573710657 /nfs/dbraw/zinc/71/06/57/573710657.db2.gz DUGOKSLCTRHAMU-PHDIDXHHSA-N 0 0 195.218 1.103 10 0 ADAERN CC(C)[C@@H](O)c1cccnc1F 75853555 573710579 /nfs/dbraw/zinc/71/05/79/573710579.db2.gz XWCBFLOBVCNPMX-MRVPVSSYSA-N 0 0 169.199 1.910 10 0 ADAERN Cc1cc(CO)ncc1OC(F)F 238491127 573710581 /nfs/dbraw/zinc/71/05/81/573710581.db2.gz VQFFDCBTKNBRLG-UHFFFAOYSA-N 0 0 189.161 1.484 10 0 ADAERN Cc1cc(CON)c(C)c(C)c1O 259560042 573710659 /nfs/dbraw/zinc/71/06/59/573710659.db2.gz WLPNWIAKIRLMFR-UHFFFAOYSA-N 0 0 181.235 1.708 10 0 ADAERN O=C(Cc1ccncc1)[C@@H]1CCCO1 83950215 573710593 /nfs/dbraw/zinc/71/05/93/573710593.db2.gz DDZYICHBRZEYPE-NSHDSACASA-N 0 0 191.230 1.372 10 0 ADAERN O[C@@H]1CC[C@@H](Cc2ccccn2)C1 83952240 573710662 /nfs/dbraw/zinc/71/06/62/573710662.db2.gz JYLIKOUMHFQPNE-GXSJLCMTSA-N 0 0 177.247 1.785 10 0 ADAERN C[C@@H]1SCCC[C@H]1n1nccc1N 86945819 573712223 /nfs/dbraw/zinc/71/22/23/573712223.db2.gz OIFDEBSAVYSEMA-JGVFFNPUSA-N 0 0 197.307 1.922 10 0 ADAERN C[C@@H]1C[C@@]2(CS1)CC(=O)NC2(C)C 86941691 573712232 /nfs/dbraw/zinc/71/22/32/573712232.db2.gz CTJAZTNVGUUTCS-XCBNKYQSSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@H](O)C[C@H](C)OCC(F)F 130776845 573712238 /nfs/dbraw/zinc/71/22/38/573712238.db2.gz YNPNYVALHAZZQB-WDSKDSINSA-N 0 0 168.183 1.428 10 0 ADAERN O[C@H](CN1CC2(CC2)C1)C(F)(F)F 236558781 573712255 /nfs/dbraw/zinc/71/22/55/573712255.db2.gz WRRRGUJKESDLLB-ZCFIWIBFSA-N 0 0 195.184 1.005 10 0 ADAERN C[C@@H]1Cc2c(CCCO)cccc2O1 258096089 573712276 /nfs/dbraw/zinc/71/22/76/573712276.db2.gz OHKQLGWUNHPMHM-SECBINFHSA-N 0 0 192.258 1.935 10 0 ADAERN CCOc1cccc(CON)c1 258101992 573712286 /nfs/dbraw/zinc/71/22/86/573712286.db2.gz XWAFPXCWDWNTLM-UHFFFAOYSA-N 0 0 167.208 1.476 10 0 ADAERN C[C@@H]1CCCn2cc(CCO)nc21 258096380 573712301 /nfs/dbraw/zinc/71/23/01/573712301.db2.gz BRYGHYSDPVSDTP-MRVPVSSYSA-N 0 0 180.251 1.315 10 0 ADAERN COc1cccc2c1[C@@](C)(O)CCN2 257850434 573712142 /nfs/dbraw/zinc/71/21/42/573712142.db2.gz OQTNWAJCKVZEDW-NSHDSACASA-N 0 0 193.246 1.718 10 0 ADAERN OC[C@@H]1CCSC[C@H]1F 259561273 573712074 /nfs/dbraw/zinc/71/20/74/573712074.db2.gz CJHCFYQGZSGPHT-NTSWFWBYSA-N 0 0 150.218 1.070 10 0 ADAERN C[C@H](O)c1nc2ccc(N)cc2s1 75852907 573712081 /nfs/dbraw/zinc/71/20/81/573712081.db2.gz OHJCHBDIUIIBHZ-YFKPBYRVSA-N 0 0 194.259 1.932 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)C2CCC2)O1 122181263 573712083 /nfs/dbraw/zinc/71/20/83/573712083.db2.gz ZVQQTGXDRDQBFK-VXNVDRBHSA-N 0 0 168.236 1.923 10 0 ADAERN C[C@@H](O)c1nc2ncccc2o1 75852888 573712110 /nfs/dbraw/zinc/71/21/10/573712110.db2.gz GIAGTQUQZGOOJY-RXMQYKEDSA-N 0 0 164.164 1.276 10 0 ADAERN Cc1cnc(C(N)=S)s1 75851808 573712317 /nfs/dbraw/zinc/71/23/17/573712317.db2.gz DBQOUSOIXFUHQM-UHFFFAOYSA-N 0 0 158.251 1.086 10 0 ADAERN Cc1csc(C(N)=S)n1 75851806 573712116 /nfs/dbraw/zinc/71/21/16/573712116.db2.gz WSUKBNOSXBBRRI-UHFFFAOYSA-N 0 0 158.251 1.086 10 0 ADAERN CN1C[C@H](C2CCCC2)N(C)C1=O 259561372 573712124 /nfs/dbraw/zinc/71/21/24/573712124.db2.gz ULLPIYDJPOVLOQ-SECBINFHSA-N 0 0 182.267 1.542 10 0 ADAERN O[C@H]1CCOC[C@@H]1C/C=C/Cl 236557597 573712134 /nfs/dbraw/zinc/71/21/34/573712134.db2.gz HBOLBFOPNQGDRO-MUERXYATSA-N 0 0 176.643 1.526 10 0 ADAERN CO[C@](C)(CO)Cc1ccccc1F 257850036 573712139 /nfs/dbraw/zinc/71/21/39/573712139.db2.gz MJYLAYDNPARVMP-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN Cc1ccc2c(c1O)C(=O)OCC2 238492445 573712146 /nfs/dbraw/zinc/71/21/46/573712146.db2.gz MZVAMKSGMVLOQZ-UHFFFAOYSA-N 0 0 178.187 1.414 10 0 ADAERN CCOC(=O)/C(C)=C\[C@@H](C)CO 214807757 573712156 /nfs/dbraw/zinc/71/21/56/573712156.db2.gz UAHHRRALAPLGQH-BESBCXERSA-N 0 0 172.224 1.124 10 0 ADAERN C[C@]1(F)C(=O)[C@H]2CC=C[C@@H]21 238493259 573712157 /nfs/dbraw/zinc/71/21/57/573712157.db2.gz CMPMXRHAWYUGNI-VMHSAVOQSA-N 0 0 140.157 1.490 10 0 ADAERN O[C@H]1CSC[C@H]1C/C=C/Cl 236545651 573712168 /nfs/dbraw/zinc/71/21/68/573712168.db2.gz IRNDAPBERVSSDD-XANLBQBGSA-N 0 0 178.684 1.853 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](C(N)=O)CC2 257850473 573712172 /nfs/dbraw/zinc/71/21/72/573712172.db2.gz OSERKWVBQILAQS-SECBINFHSA-N 0 0 190.246 1.207 10 0 ADAERN C[C@@H](O)c1nc2cccnc2n1C 75853032 573712179 /nfs/dbraw/zinc/71/21/79/573712179.db2.gz CMGUPHCILUVQSW-ZCFIWIBFSA-N 0 0 177.207 1.022 10 0 ADAERN Cc1ccc(N)cc1[C@@H](C)O 75852802 573712191 /nfs/dbraw/zinc/71/21/91/573712191.db2.gz WCDSCULRDMOINN-SSDOTTSWSA-N 0 0 151.209 1.631 10 0 ADAERN Cc1cc(C)c2c(c1)[C@@](C)(O)C(=O)N2 238493075 573712218 /nfs/dbraw/zinc/71/22/18/573712218.db2.gz CZBRGESACMBWSU-LLVKDONJSA-N 0 0 191.230 1.463 10 0 ADAERN C[C@@H]1Cc2c(O)ccc(O)c2C1=O 238492802 573712206 /nfs/dbraw/zinc/71/22/06/573712206.db2.gz NETMWGQBEYMAFX-RXMQYKEDSA-N 0 0 178.187 1.473 10 0 ADAERN CCc1nc2c(OC)cccn2n1 258095314 573712213 /nfs/dbraw/zinc/71/22/13/573712213.db2.gz WYQNGIHBLRVBSQ-UHFFFAOYSA-N 0 0 177.207 1.300 10 0 ADAERN C[C@@]12CC(=O)C[C@H]1CCC2=O 197505034 573712714 /nfs/dbraw/zinc/71/27/14/573712714.db2.gz GBUOPNDLFJSFEU-HZGVNTEJSA-N 0 0 152.193 1.335 10 0 ADAERN COC[C@H](OC)c1ccccc1C=O 258095972 573712628 /nfs/dbraw/zinc/71/26/28/573712628.db2.gz XGQDQGZIOACJPM-NSHDSACASA-N 0 0 194.230 1.833 10 0 ADAERN C[C@]1(F)C(=O)[C@@H]2CC=C[C@@H]21 238493276 573715773 /nfs/dbraw/zinc/71/57/73/573715773.db2.gz CMPMXRHAWYUGNI-GKROBHDKSA-N 0 0 140.157 1.490 10 0 ADAERN C[C@H]1NC(=O)c2ccc(Cl)cc2N1 238493226 573712391 /nfs/dbraw/zinc/71/23/91/573712391.db2.gz GVYKUXWSGNYMOT-RXMQYKEDSA-N 0 0 196.637 1.841 10 0 ADAERN C[C@H]1C[C@@]2(CS1)CC(=O)NC2(C)C 86941693 573712392 /nfs/dbraw/zinc/71/23/92/573712392.db2.gz CTJAZTNVGUUTCS-XVKPBYJWSA-N 0 0 199.319 1.797 10 0 ADAERN Cc1cc(C[C@H](C)O)c2c(c1)OCO2 258101161 573712411 /nfs/dbraw/zinc/71/24/11/573712411.db2.gz OWSYJKSJIGNIQA-QMMMGPOBSA-N 0 0 194.230 1.647 10 0 ADAERN C[C@H]1CC[C@]2(COC(=O)N2)C1 83965842 573720324 /nfs/dbraw/zinc/72/03/24/573720324.db2.gz HZVZTVWSUZXVSZ-POYBYMJQSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@H]1CCCC[C@@H](NC=O)C1 238492885 573712420 /nfs/dbraw/zinc/71/24/20/573712420.db2.gz IUIRPANCFYFNFA-DTWKUNHWSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H]1CCCC2(OCCO2)C1=O 238491975 573712441 /nfs/dbraw/zinc/71/24/41/573712441.db2.gz SMMZMXIRGJFUNZ-ZETCQYMHSA-N 0 0 170.208 1.119 10 0 ADAERN C[N@@H+]1CC[C@@H](C[C@@](C)(F)C(=O)[O-])C1 257850479 573712455 /nfs/dbraw/zinc/71/24/55/573712455.db2.gz OSRUFCHFINKDQS-IONNQARKSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@H](CO)c1c(F)ccc(F)c1O 258096056 573712475 /nfs/dbraw/zinc/71/24/75/573712475.db2.gz OHFMGXRJNMRNNU-RXMQYKEDSA-N 0 0 188.173 1.766 10 0 ADAERN Cc1ccc(C[C@H]2CCO[C@@H]2O)cc1 238493218 573712491 /nfs/dbraw/zinc/71/24/91/573712491.db2.gz JFPBUJYAZJBARD-NEPJUHHUSA-N 0 0 192.258 1.892 10 0 ADAERN Cc1cc(C[C@@H](C)O)c2c(c1)OCO2 258101157 573712510 /nfs/dbraw/zinc/71/25/10/573712510.db2.gz OWSYJKSJIGNIQA-MRVPVSSYSA-N 0 0 194.230 1.647 10 0 ADAERN C[C@H]1SCCC[C@@H]1n1nccc1N 86945821 573712532 /nfs/dbraw/zinc/71/25/32/573712532.db2.gz OIFDEBSAVYSEMA-SFYZADRCSA-N 0 0 197.307 1.922 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1ccccn1 236558161 573712546 /nfs/dbraw/zinc/71/25/46/573712546.db2.gz LVQLVAZLFZFWBB-ONGXEEELSA-N 0 0 193.246 1.022 10 0 ADAERN CCCc1cc(C)[nH]c(=O)c1 83962455 573712549 /nfs/dbraw/zinc/71/25/49/573712549.db2.gz NWRBBXWTEZRCQS-UHFFFAOYSA-N 0 0 151.209 1.636 10 0 ADAERN C[C@@H](O)[C@@H](F)C1CC1 257850237 573712555 /nfs/dbraw/zinc/71/25/55/573712555.db2.gz RJUYEGOUCJAKGH-INEUFUBQSA-N 0 0 118.151 1.115 10 0 ADAERN CC[C@H](C[C@@H](C)O)[C@@H](C)O 79029182 573712558 /nfs/dbraw/zinc/71/25/58/573712558.db2.gz KOCRQAWVMQLLPN-BWZBUEFSSA-N 0 0 146.230 1.164 10 0 ADAERN O[C@H]1CCOC[C@@H]1CCC(F)(F)F 236555785 573712570 /nfs/dbraw/zinc/71/25/70/573712570.db2.gz DHINCOIEXIILNP-BQBZGAKWSA-N 0 0 198.184 1.726 10 0 ADAERN C[C@]1(Cl)C(=O)[C@@H]2CC=C[C@@H]21 238492699 573712577 /nfs/dbraw/zinc/71/25/77/573712577.db2.gz AISYUXKCBFWCFE-GKROBHDKSA-N 0 0 156.612 1.759 10 0 ADAERN Cc1ncc(CO)c2c1O[C@H](C)C2 238492054 573712583 /nfs/dbraw/zinc/71/25/83/573712583.db2.gz DUPKIYXUKUIMCM-ZCFIWIBFSA-N 0 0 179.219 1.206 10 0 ADAERN Clc1cnc(Cl)o1 258095819 573712608 /nfs/dbraw/zinc/71/26/08/573712608.db2.gz XEKIKWVWUJZFFJ-UHFFFAOYSA-N 0 0 137.953 1.981 10 0 ADAERN CC[C@]1(C(C)C)C[NH+]=C(N)O1 83966458 573720716 /nfs/dbraw/zinc/72/07/16/573720716.db2.gz MAGYYIYRBVAQCX-MRVPVSSYSA-N 0 0 156.229 1.136 10 0 ADAERN Oc1c[nH]c(CC2CC2)n1 236574512 573720772 /nfs/dbraw/zinc/72/07/72/573720772.db2.gz QQLQGGYOHYZUFB-UHFFFAOYSA-N 0 0 138.170 1.068 10 0 ADAERN C[C@@H]1C[C@](C)(O)CS1 86939628 573712616 /nfs/dbraw/zinc/71/26/16/573712616.db2.gz ZYXONTWVZBEDFP-RITPCOANSA-N 0 0 132.228 1.263 10 0 ADAERN O=Cc1nnn(C2CCC2)c1C1CC1 257850539 573712623 /nfs/dbraw/zinc/71/26/23/573712623.db2.gz OUXOJBLUFJRVHA-UHFFFAOYSA-N 0 0 191.234 1.693 10 0 ADAERN C[C@@H]1Cc2c(N)cccc2[C@H]1O 238492405 573712632 /nfs/dbraw/zinc/71/26/32/573712632.db2.gz VRXZBGVWLMWREB-LDWIPMOCSA-N 0 0 163.220 1.494 10 0 ADAERN CCC[C@@H](C)[C@H]1COC(N)=N1 83964471 573712650 /nfs/dbraw/zinc/71/26/50/573712650.db2.gz KWVLLIPLRFQDCT-RNFRBKRXSA-N 0 0 156.229 1.136 10 0 ADAERN C[C@@H]1C[C@@](O)(c2cnn(C)c2)CS1 86939530 573712651 /nfs/dbraw/zinc/71/26/51/573712651.db2.gz 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/nfs/dbraw/zinc/71/27/06/573712706.db2.gz YLIOQOGHNXMWQJ-FXQIFTODSA-N 0 0 158.241 1.776 10 0 ADAERN C/C=C\CN(C)C(C)(C)C(=O)OC 393555167 573712717 /nfs/dbraw/zinc/71/27/17/573712717.db2.gz LFKAWBHYLMBDRY-SREVYHEPSA-N 0 0 185.267 1.446 10 0 ADAERN COc1cc(O)c(F)c([C@H](C)O)c1 258101125 573712726 /nfs/dbraw/zinc/71/27/26/573712726.db2.gz OWIHPRUEDNYIJW-YFKPBYRVSA-N 0 0 186.182 1.593 10 0 ADAERN C[C@H]1C[C@@H](C)Nc2cnnn21 258418197 573712737 /nfs/dbraw/zinc/71/27/37/573712737.db2.gz BQNAPHGRFPEBCJ-RITPCOANSA-N 0 0 152.201 1.043 10 0 ADAERN Cc1nn(C)c(C)c1[C@H](O)C(C)C 75853436 573712750 /nfs/dbraw/zinc/71/27/50/573712750.db2.gz QFARMOYDLYNLLP-SNVBAGLBSA-N 0 0 182.267 1.726 10 0 ADAERN C[C@H]1CCCC[C@@]12COC(N)=N2 83964616 573712752 /nfs/dbraw/zinc/71/27/52/573712752.db2.gz GGCKXSAZSZBMDY-IONNQARKSA-N 0 0 168.240 1.280 10 0 ADAERN C[C@H](CCO)C1(F)CC1 258095880 573712754 /nfs/dbraw/zinc/71/27/54/573712754.db2.gz XFSAJTKIFMPPAZ-ZCFIWIBFSA-N 0 0 132.178 1.507 10 0 ADAERN CCC[C@@H](O)COc1cccnc1 258096590 573712763 /nfs/dbraw/zinc/71/27/63/573712763.db2.gz KBPICFNACOTRIB-SECBINFHSA-N 0 0 181.235 1.621 10 0 ADAERN C[C@@]1(C2CCCC2)COC(N)=N1 83964307 573712770 /nfs/dbraw/zinc/71/27/70/573712770.db2.gz NJNHIWNQJBZMPE-VIFPVBQESA-N 0 0 168.240 1.280 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]2(COC(N)=N2)C1 83964390 573712783 /nfs/dbraw/zinc/71/27/83/573712783.db2.gz PDDFROXIBJSXAU-KWQFWETISA-N 0 0 196.294 1.916 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1cccs1 236558198 573712794 /nfs/dbraw/zinc/71/27/94/573712794.db2.gz HJZZFFVISPSZEO-WPRPVWTQSA-N 0 0 198.287 1.688 10 0 ADAERN C/C=C/C[C@H]1CCO[C@@H]1O 238021340 573712805 /nfs/dbraw/zinc/71/28/05/573712805.db2.gz JNYIWHCUIAVHPY-HZIBQTDNSA-N 0 0 142.198 1.308 10 0 ADAERN CC[C@@H](O)COCC(C)(C)OC 393647396 573712820 /nfs/dbraw/zinc/71/28/20/573712820.db2.gz XKCGEHLUMSHXMK-MRVPVSSYSA-N 0 0 176.256 1.199 10 0 ADAERN C/C=C/C[C@H]1CCC[C@@H](O)O1 238021253 573712826 /nfs/dbraw/zinc/71/28/26/573712826.db2.gz VDAIXBNQFMBPON-JKRGSOBMSA-N 0 0 156.225 1.840 10 0 ADAERN Cc1cc2[nH]cnc2c2snnc12 238493295 573712834 /nfs/dbraw/zinc/71/28/34/573712834.db2.gz LDROIOBEDDXIFM-UHFFFAOYSA-N 0 0 190.231 1.876 10 0 ADAERN c1nc(CSC2=NCCS2)c[nH]1 238021092 573712835 /nfs/dbraw/zinc/71/28/35/573712835.db2.gz PNPPLKCUHNUAKN-UHFFFAOYSA-N 0 0 199.304 1.746 10 0 ADAERN C[C@H]1C[C@@H](C(F)(F)F)C(=O)N1 238492560 573712841 /nfs/dbraw/zinc/71/28/41/573712841.db2.gz BDTKHOXUHPVDQX-IUYQGCFVSA-N 0 0 167.130 1.073 10 0 ADAERN Cc1ccc(N)c2c1O[C@H](C)C2 238492307 573712869 /nfs/dbraw/zinc/71/28/69/573712869.db2.gz LXVCCLSPMWLOTB-SSDOTTSWSA-N 0 0 163.220 1.901 10 0 ADAERN OCc1cnc(Cc2ccco2)o1 258094653 573712887 /nfs/dbraw/zinc/71/28/87/573712887.db2.gz NDRVXCIBUYVYGR-UHFFFAOYSA-N 0 0 179.175 1.351 10 0 ADAERN Cc1nccc2c1CCCC2=O 238491971 573712890 /nfs/dbraw/zinc/71/28/90/573712890.db2.gz VJESMBOBAFQUMX-UHFFFAOYSA-N 0 0 161.204 1.909 10 0 ADAERN Cc1cn(NC(N)=O)c(C)c1C 238492988 573712902 /nfs/dbraw/zinc/71/29/02/573712902.db2.gz XUUYAUPPGHDBNI-UHFFFAOYSA-N 0 0 167.212 1.036 10 0 ADAERN NC1=N[C@H]([C@H]2CC=CCC2)CO1 83964890 573712904 /nfs/dbraw/zinc/71/29/04/573712904.db2.gz ZXSQOAKNJQSCEV-YUMQZZPRSA-N 0 0 166.224 1.056 10 0 ADAERN CC1=C(c2ccccc2)N1 238492101 573712926 /nfs/dbraw/zinc/71/29/26/573712926.db2.gz PVZACDAURXYMJP-UHFFFAOYSA-N 0 0 131.178 1.978 10 0 ADAERN CC[C@@]1(C)C[C@@]2(CCO1)COC(N)=N2 83964983 573712929 /nfs/dbraw/zinc/71/29/29/573712929.db2.gz FKMZDSDHLGPMRZ-UWVGGRQHSA-N 0 0 198.266 1.049 10 0 ADAERN O[C@H]1CCOC[C@H]1CC1CC1 236560927 573712953 /nfs/dbraw/zinc/71/29/53/573712953.db2.gz IOIVMQUGFXEYQC-BDAKNGLRSA-N 0 0 156.225 1.184 10 0 ADAERN CC[C@@H](NC(C)=O)[C@@H](O)c1ccco1 205752299 573712955 /nfs/dbraw/zinc/71/29/55/573712955.db2.gz DRUINLNICRJJSZ-PSASIEDQSA-N 0 0 197.234 1.228 10 0 ADAERN OCCc1c(O)cc(F)cc1F 258101964 573712972 /nfs/dbraw/zinc/71/29/72/573712972.db2.gz XUZIDROWIWZQCU-UHFFFAOYSA-N 0 0 174.146 1.205 10 0 ADAERN Cc1ccc2[nH]c3c(c2c1)C(=O)NC3 238492916 573712977 /nfs/dbraw/zinc/71/29/77/573712977.db2.gz IQUPVWBULAOQBZ-UHFFFAOYSA-N 0 0 186.214 1.720 10 0 ADAERN C[C@]1(Cl)C(=O)[C@H]2CCCO[C@@H]21 238492941 573713239 /nfs/dbraw/zinc/71/32/39/573713239.db2.gz UMUMWGZEJLIKDK-DTLFHODZSA-N 0 0 174.627 1.362 10 0 ADAERN C/C=C/C[C@H](O)[C@@H]1CCCCO1 238020764 573713012 /nfs/dbraw/zinc/71/30/12/573713012.db2.gz NOFGGLXTOPHDBL-AQHVTNBVSA-N 0 0 170.252 1.883 10 0 ADAERN CC(C)(O)[C@]12CCC(=O)[C@H]1C2 197509126 573713020 /nfs/dbraw/zinc/71/30/20/573713020.db2.gz KQRFCIOGVOPDTJ-MUWHJKNJSA-N 0 0 154.209 1.127 10 0 ADAERN CC(C)(C)C[C@@H](F)CO 108280631 573713027 /nfs/dbraw/zinc/71/30/27/573713027.db2.gz YCRHGVUTQWGVTP-ZCFIWIBFSA-N 0 0 134.194 1.753 10 0 ADAERN CC(C)(C)C[C@@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258094845 573713035 /nfs/dbraw/zinc/71/30/35/573713035.db2.gz GRAIBTXFNSRDBT-KWQFWETISA-N 0 0 199.294 1.875 10 0 ADAERN COc1ccc(C(C)=O)c(F)c1O 258101079 573713040 /nfs/dbraw/zinc/71/30/40/573713040.db2.gz OVMZBEFIFWRJIP-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN O=C(/C=C/C1CC1)NCC1CCC1 393554288 573713042 /nfs/dbraw/zinc/71/30/42/573713042.db2.gz JOYAHTQXSVGZSK-VOTSOKGWSA-N 0 0 179.263 1.869 10 0 ADAERN CC(C)Cc1nc(C[NH3+])c(C(=O)[O-])o1 258095805 573713051 /nfs/dbraw/zinc/71/30/51/573713051.db2.gz IVLOTHOFQKVYKT-UHFFFAOYSA-N 0 0 198.222 1.030 10 0 ADAERN C[C@@H]1CC(c2ccccc2)=NC(=O)N1 238492381 573713052 /nfs/dbraw/zinc/71/30/52/573713052.db2.gz VBEAWNLDSLRWPU-MRVPVSSYSA-N 0 0 188.230 1.729 10 0 ADAERN C/C(=C(/[NH3+])C(=O)[O-])c1ccccc1 238021458 573713056 /nfs/dbraw/zinc/71/30/56/573713056.db2.gz DLLRJATWKBZXIM-CLFYSBASSA-N 0 0 177.203 1.461 10 0 ADAERN Cc1nc(C(F)F)c(C[NH3+])cc1O 238492764 573713057 /nfs/dbraw/zinc/71/30/57/573713057.db2.gz DGUUNQRTUYELRH-UHFFFAOYSA-N 0 0 188.177 1.492 10 0 ADAERN CC(C)(C)C[C@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258094842 573713075 /nfs/dbraw/zinc/71/30/75/573713075.db2.gz GRAIBTXFNSRDBT-KCJUWKMLSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@]1(C)C[C@@]2(CCO1)COC(N)=N2 83964982 573713108 /nfs/dbraw/zinc/71/31/08/573713108.db2.gz FKMZDSDHLGPMRZ-ZJUUUORDSA-N 0 0 198.266 1.049 10 0 ADAERN Cc1nc([C@H]([NH3+])COC(C)C)co1 393554974 573713131 /nfs/dbraw/zinc/71/31/31/573713131.db2.gz OTTOIUIULGOMHP-MRVPVSSYSA-N 0 0 184.239 1.408 10 0 ADAERN C/C=C/C[C@H](O)[C@H]1CCCCO1 238020890 573713139 /nfs/dbraw/zinc/71/31/39/573713139.db2.gz NOFGGLXTOPHDBL-MDCNRGEUSA-N 0 0 170.252 1.883 10 0 ADAERN C/C=C/CN(C)C(C)(C)C(=O)OC 393555168 573713242 /nfs/dbraw/zinc/71/32/42/573713242.db2.gz LFKAWBHYLMBDRY-VOTSOKGWSA-N 0 0 185.267 1.446 10 0 ADAERN C[C@H]1C[C@H](C)CC2(COC(N)=N2)C1 83952661 573713167 /nfs/dbraw/zinc/71/31/67/573713167.db2.gz OTNPWPNVPZZBPO-YUMQZZPRSA-N 0 0 182.267 1.526 10 0 ADAERN O[C@@]1(CCC2CC2)CCCOC1 236549219 573713176 /nfs/dbraw/zinc/71/31/76/573713176.db2.gz ROBIPMQLYYQYRE-SNVBAGLBSA-N 0 0 170.252 1.718 10 0 ADAERN C[C@]1(O)C[C@H]1[C@@H](O)c1ccccc1 238493220 573713186 /nfs/dbraw/zinc/71/31/86/573713186.db2.gz QFNAANSXAXWNTG-DCAQKATOSA-N 0 0 178.231 1.491 10 0 ADAERN C[C@@H]1SCCC[C@]12COC(=O)N2 86969494 573713249 /nfs/dbraw/zinc/71/32/49/573713249.db2.gz DJGBPMFAZCXWQG-XPUUQOCRSA-N 0 0 187.264 1.381 10 0 ADAERN Cc1cc2nncn2c2ccc(N)cc12 258101552 573713246 /nfs/dbraw/zinc/71/32/46/573713246.db2.gz NWUOCCBEQRGIQL-UHFFFAOYSA-N 0 0 198.229 1.773 10 0 ADAERN C/C=C/C[C@H]1CCO[C@H]1O 238021370 573713200 /nfs/dbraw/zinc/71/32/00/573713200.db2.gz JNYIWHCUIAVHPY-RIAPOHOLSA-N 0 0 142.198 1.308 10 0 ADAERN CC[NH2+]C1CCC(=CC(=O)[O-])CC1 108278417 573713202 /nfs/dbraw/zinc/71/32/02/573713202.db2.gz OFVNEOZMAMHUBC-UHFFFAOYSA-N 0 0 183.251 1.550 10 0 ADAERN O=Cc1cc(F)ccc1CNO 258095996 573713204 /nfs/dbraw/zinc/71/32/04/573713204.db2.gz XGUZMAZOJJCCFN-UHFFFAOYSA-N 0 0 169.155 1.117 10 0 ADAERN C[C@]1(Cl)C(=O)[C@H]2C=CC[C@@H]21 238492734 573713211 /nfs/dbraw/zinc/71/32/11/573713211.db2.gz LDDKDFFLPCUTFL-VMHSAVOQSA-N 0 0 156.612 1.759 10 0 ADAERN CC[C@H](O)COCC(C)(C)OC 393647398 573713220 /nfs/dbraw/zinc/71/32/20/573713220.db2.gz XKCGEHLUMSHXMK-QMMMGPOBSA-N 0 0 176.256 1.199 10 0 ADAERN C1=NCCCn2cccc21 238021361 573713224 /nfs/dbraw/zinc/71/32/24/573713224.db2.gz RHCJVFYEFYGSCP-UHFFFAOYSA-N 0 0 134.182 1.311 10 0 ADAERN Cc1ccc2c(c1N)C(=O)OCC2 238492395 573715574 /nfs/dbraw/zinc/71/55/74/573715574.db2.gz KGUJMNUMTNSHFL-UHFFFAOYSA-N 0 0 177.203 1.290 10 0 ADAERN COC[C@]1(O)CCCS[C@H]1C 86968397 573715575 /nfs/dbraw/zinc/71/55/75/573715575.db2.gz PKMNHTAFYDHQRB-JGVFFNPUSA-N 0 0 176.281 1.279 10 0 ADAERN C1=C(c2ccccc2)NCNC1 238039909 573715608 /nfs/dbraw/zinc/71/56/08/573715608.db2.gz IBJLRHDQXXYJNL-UHFFFAOYSA-N 0 0 160.220 1.178 10 0 ADAERN CC(C)C1=N[C@@H]2C[C@H](O)CC[C@@H]2O1 258097934 573715609 /nfs/dbraw/zinc/71/56/09/573715609.db2.gz UXCLHCLTAZSDOM-HLTSFMKQSA-N 0 0 183.251 1.353 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]1c1ccccc1F 257854222 573715579 /nfs/dbraw/zinc/71/55/79/573715579.db2.gz PPUACBOOWLVOJA-VXNVDRBHSA-N 0 0 195.193 1.171 10 0 ADAERN C[C@H]1NC(=O)c2cc3c(cc21)OCO3 238493359 573715589 /nfs/dbraw/zinc/71/55/89/573715589.db2.gz CYEYOWHFKGHIMZ-RXMQYKEDSA-N 0 0 191.186 1.220 10 0 ADAERN CC(C)C1=N[C@@H]2C[C@@H](O)CC[C@@H]2O1 258097939 573715593 /nfs/dbraw/zinc/71/55/93/573715593.db2.gz UXCLHCLTAZSDOM-YIZRAAEISA-N 0 0 183.251 1.353 10 0 ADAERN Cc1nc2ccccn2c1C[C@@H](C)O 108278042 573715610 /nfs/dbraw/zinc/71/56/10/573715610.db2.gz ADZDUSQSSYUIGX-MRVPVSSYSA-N 0 0 190.246 1.566 10 0 ADAERN CSC(=O)c1cnsc1N 257854481 573715611 /nfs/dbraw/zinc/71/56/11/573715611.db2.gz AOCNMUMHSZVSEF-UHFFFAOYSA-N 0 0 174.250 1.229 10 0 ADAERN Cc1nc2c(N)nccc2s1 238492493 573715560 /nfs/dbraw/zinc/71/55/60/573715560.db2.gz QPXSQHKSQMEJRO-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN CC[C@@H](C)[C@@H](C)NC=O 79042647 573715783 /nfs/dbraw/zinc/71/57/83/573715783.db2.gz YIIKBOIXQIPYNS-RNFRBKRXSA-N 0 0 129.203 1.167 10 0 ADAERN C/C=C/[C@@H](O)[C@H](O)c1cccnc1 238038478 573715787 /nfs/dbraw/zinc/71/57/87/573715787.db2.gz BGWJLCHPSIMGBG-QWZJGYIASA-N 0 0 179.219 1.052 10 0 ADAERN CC1(C)C[C@H]1Nc1cncc(N)c1 122270744 573717020 /nfs/dbraw/zinc/71/70/20/573717020.db2.gz ODKRJGARLDFKPR-SECBINFHSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccc(O)cc2)[NH2+]1 258512078 573715793 /nfs/dbraw/zinc/71/57/93/573715793.db2.gz MRYCPPGACQVQDD-XCBNKYQSSA-N 0 0 179.219 1.399 10 0 ADAERN CC(C)[NH2+]C1CCC(=CC(=O)[O-])CC1 108278414 573715798 /nfs/dbraw/zinc/71/57/98/573715798.db2.gz GSVJCHHIBTXEBF-UHFFFAOYSA-N 0 0 197.278 1.938 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1ccco1 236564368 573715802 /nfs/dbraw/zinc/71/58/02/573715802.db2.gz GJYSHNNLMMPYNK-SCZZXKLOSA-N 0 0 182.219 1.220 10 0 ADAERN COc1ccc(O)c(C(C)(C)CO)c1 258098400 573715807 /nfs/dbraw/zinc/71/58/07/573715807.db2.gz OMXKYVRRAYQLOA-UHFFFAOYSA-N 0 0 196.246 1.671 10 0 in-vitro ADAERN CN(CCC1CC1)c1nc(CO)co1 308680368 573715811 /nfs/dbraw/zinc/71/58/11/573715811.db2.gz XJOMFAXHZYYTIQ-UHFFFAOYSA-N 0 0 196.250 1.403 10 0 ADAERN Cc1oc2c(c(=O)c1O)CCC[C@@H]2O 238493939 573716711 /nfs/dbraw/zinc/71/67/11/573716711.db2.gz XKOHBZKOOYLZME-ZETCQYMHSA-N 0 0 196.202 1.024 10 0 ADAERN Cc1nc2ccccn2c1C[C@H](C)O 108278044 573717018 /nfs/dbraw/zinc/71/70/18/573717018.db2.gz ADZDUSQSSYUIGX-QMMMGPOBSA-N 0 0 190.246 1.566 10 0 ADAERN CC(C)[C@H]([NH3+])c1nc(C(=O)[O-])co1 75854434 573717312 /nfs/dbraw/zinc/71/73/12/573717312.db2.gz YAWRKACYMLDVLC-LURJTMIESA-N 0 0 184.195 1.029 10 0 ADAERN Cc1cc(C)c2c(n1)CC[C@@H](O)C2 238492529 573715613 /nfs/dbraw/zinc/71/56/13/573715613.db2.gz XDGFXLATXVFUAZ-SECBINFHSA-N 0 0 177.247 1.548 10 0 ADAERN Cc1cc(O)c2c(c1O)C(=O)CCC2 238492164 573715635 /nfs/dbraw/zinc/71/56/35/573715635.db2.gz WHRMUBORVLYOMM-UHFFFAOYSA-N 0 0 192.214 1.925 10 0 ADAERN C[C@@H]1SCCC[C@@]1(C)O 86968406 573715649 /nfs/dbraw/zinc/71/56/49/573715649.db2.gz OOPVBURGTPTSEA-NKWVEPMBSA-N 0 0 146.255 1.653 10 0 ADAERN NC1=N[C@]2(CCC[C@H](C3CC3)C2)CO1 83964950 573715653 /nfs/dbraw/zinc/71/56/53/573715653.db2.gz ZZUCHONNXVCDLO-ONGXEEELSA-N 0 0 194.278 1.670 10 0 ADAERN Nc1ccn2c(C3CC3)nnc2c1 83963688 573715664 /nfs/dbraw/zinc/71/56/64/573715664.db2.gz UDEAJFOLYYICRE-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN NC1=N[C@@]2(CCC[C@H](C3CC3)C2)CO1 83964952 573715677 /nfs/dbraw/zinc/71/56/77/573715677.db2.gz ZZUCHONNXVCDLO-GXSJLCMTSA-N 0 0 194.278 1.670 10 0 ADAERN CC(C)CC[C@@]1(C)COC(N)=N1 83964612 573715688 /nfs/dbraw/zinc/71/56/88/573715688.db2.gz DNYRZDQBUKEVGE-VIFPVBQESA-N 0 0 170.256 1.526 10 0 ADAERN Cc1cc(C)c2c(n1)NC(=O)NC2 238492149 573715696 /nfs/dbraw/zinc/71/56/96/573715696.db2.gz LKOSBCYEMGGGIF-UHFFFAOYSA-N 0 0 177.207 1.334 10 0 ADAERN C/C=C/[C@@H](O)[C@H](O)c1ccco1 238038510 573717417 /nfs/dbraw/zinc/71/74/17/573717417.db2.gz LEASQDQUNJIFKN-UGWJCJQDSA-N 0 0 168.192 1.250 10 0 ADAERN C1=CC[NH2+]C([C@@H]2CC=CC=N2)=C1 238039052 573715697 /nfs/dbraw/zinc/71/56/97/573715697.db2.gz VQBMQOPLVCZLQM-JTQLQIEISA-N 0 0 160.220 1.429 10 0 ADAERN Cc1[nH]ccc2c(O)ccc(=O)c1-2 238492390 573715717 /nfs/dbraw/zinc/71/57/17/573715717.db2.gz SJZVXVGUISRNMT-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN C1=CC[NH2+]C([C@H]2CC=CC=N2)=C1 238039084 573715721 /nfs/dbraw/zinc/71/57/21/573715721.db2.gz VQBMQOPLVCZLQM-SNVBAGLBSA-N 0 0 160.220 1.429 10 0 ADAERN OC1(c2c(F)ccc3c2OCC3)CC1 258098389 573715726 /nfs/dbraw/zinc/71/57/26/573715726.db2.gz OMNPDLUQAVMUHK-UHFFFAOYSA-N 0 0 194.205 1.742 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)C(C)C 75854515 573715728 /nfs/dbraw/zinc/71/57/28/573715728.db2.gz SNOAIAFVKYDABL-UHFFFAOYSA-N 0 0 166.224 1.865 10 0 ADAERN CC(C)(C)C[C@H](F)CO 108280629 573715750 /nfs/dbraw/zinc/71/57/50/573715750.db2.gz YCRHGVUTQWGVTP-LURJTMIESA-N 0 0 134.194 1.753 10 0 ADAERN C/C=C/[C@@H](O[C@@H](C)O)C(C)C 238040009 573715753 /nfs/dbraw/zinc/71/57/53/573715753.db2.gz HOIGIOONAAFGLS-VFPASMGPSA-N 0 0 158.241 1.942 10 0 ADAERN C/C=C/[C@@H](O)[C@](C)(O)c1ccccn1 238039065 573715771 /nfs/dbraw/zinc/71/57/71/573715771.db2.gz UZMFQMVBEQVJFX-NNPIPJJVSA-N 0 0 193.246 1.226 10 0 ADAERN CCC(F)(CC)CO 108280001 573715847 /nfs/dbraw/zinc/71/58/47/573715847.db2.gz AEZQAZGDNILAMS-UHFFFAOYSA-N 0 0 120.167 1.507 10 0 ADAERN Cc1ccc2c(c1C(=O)[O-])[C@@H]([NH3+])CC2 238493334 573715849 /nfs/dbraw/zinc/71/58/49/573715849.db2.gz PEIOLIWVUXWBML-QMMMGPOBSA-N 0 0 191.230 1.639 10 0 ADAERN CC(=O)c1nc(-c2ccc(C)o2)no1 258098164 573715874 /nfs/dbraw/zinc/71/58/74/573715874.db2.gz RXHYAMRZADWWPW-UHFFFAOYSA-N 0 0 192.174 1.841 10 0 ADAERN CC[C@@]1(c2ccccc2)COC(=N)N1 83952686 573715885 /nfs/dbraw/zinc/71/58/85/573715885.db2.gz MOZOHNONGMJIBN-NSHDSACASA-N 0 0 190.246 1.637 10 0 ADAERN CC1=CC[C@H](C(N)=O)C[C@H](C)C1 238492611 573715911 /nfs/dbraw/zinc/71/59/11/573715911.db2.gz WAUPGKMCWHMORR-BDAKNGLRSA-N 0 0 167.252 1.854 10 0 ADAERN Cc1[nH]ccc1[C@@H](N)C(F)(F)F 238493138 573715918 /nfs/dbraw/zinc/71/59/18/573715918.db2.gz SDASLHIJWAIZSF-ZCFIWIBFSA-N 0 0 178.157 1.885 10 0 ADAERN CC(=O)CC1=CCCO1 108280134 573715925 /nfs/dbraw/zinc/71/59/25/573715925.db2.gz PDCHAPJCCOEHCZ-UHFFFAOYSA-N 0 0 126.155 1.270 10 0 ADAERN O=C(OCCCO)[C@@H]1CC[C@H](F)C1 393555636 573715946 /nfs/dbraw/zinc/71/59/46/573715946.db2.gz NEKXJIQMRAUULY-SFYZADRCSA-N 0 0 190.214 1.050 10 0 ADAERN CC(C)(C)C[C@H]1COC(N)=N1 83964571 573715966 /nfs/dbraw/zinc/71/59/66/573715966.db2.gz XVADQHKAHAHPGT-LURJTMIESA-N 0 0 156.229 1.136 10 0 ADAERN CC[N@@H+]([C@@H]1CCOC1)[C@H](C)C(C)=O 393555560 573715971 /nfs/dbraw/zinc/71/59/71/573715971.db2.gz MMAJHOGHXMCQJF-PSASIEDQSA-N 0 0 185.267 1.075 10 0 ADAERN O[C@@H]1CC[C@H]2N=CS[C@@H]2C1 258098152 573715979 /nfs/dbraw/zinc/71/59/79/573715979.db2.gz UZOLXAJHYJJMKU-FSDSQADBSA-N 0 0 157.238 1.044 10 0 ADAERN CCC[C@@H]1C[C@]2(CCO1)COC(N)=N2 83964604 573715982 /nfs/dbraw/zinc/71/59/82/573715982.db2.gz LGDBUXNOQPJLSR-PSASIEDQSA-N 0 0 198.266 1.049 10 0 ADAERN C[C@H]1Cc2c(CON)cccc2N1C 258097640 573715987 /nfs/dbraw/zinc/71/59/87/573715987.db2.gz NSYMLYMBSOXOAP-QMMMGPOBSA-N 0 0 192.262 1.458 10 0 ADAERN C[C@@H]1CCC[C@]2(COC(N)=N2)[C@@H]1C 83952652 573715997 /nfs/dbraw/zinc/71/59/97/573715997.db2.gz ZKSYCWMHTICRNH-MRTMQBJTSA-N 0 0 182.267 1.526 10 0 ADAERN CC1(C)C[C@@H]1Nc1cncc(N)c1 122270553 573715998 /nfs/dbraw/zinc/71/59/98/573715998.db2.gz ODKRJGARLDFKPR-VIFPVBQESA-N 0 0 177.251 1.874 10 0 ADAERN Cc1cnc2ncccc2c1C=O 238492221 573716004 /nfs/dbraw/zinc/71/60/04/573716004.db2.gz CXBYNOPFHLPYNI-UHFFFAOYSA-N 0 0 172.187 1.751 10 0 ADAERN C[C@@H]1Cc2c(N)cccc2[C@@H]1O 238492384 573716028 /nfs/dbraw/zinc/71/60/28/573716028.db2.gz VRXZBGVWLMWREB-LHLIQPBNSA-N 0 0 163.220 1.494 10 0 ADAERN C/C=C/[C@@H](O)[C@](C)(O)c1ccccc1 238039034 573717424 /nfs/dbraw/zinc/71/74/24/573717424.db2.gz QGNZEXZMVWDQDU-BKZLJMBUSA-N 0 0 192.258 1.831 10 0 ADAERN Cc1oc([C@@H]2CCCCO2)nc1CO 238492545 573716046 /nfs/dbraw/zinc/71/60/46/573716046.db2.gz QLJYUNIXDFCTSN-VIFPVBQESA-N 0 0 197.234 1.717 10 0 ADAERN Cc1cc(=O)c(C(C)C)c[nH]c1=O 197531906 573716053 /nfs/dbraw/zinc/71/60/53/573716053.db2.gz DFGDRVXABLPNCW-UHFFFAOYSA-N 0 0 179.219 1.167 10 0 ADAERN CC(C)[C@@H]([NH3+])c1nc(C(=O)[O-])co1 75854435 573716101 /nfs/dbraw/zinc/71/61/01/573716101.db2.gz YAWRKACYMLDVLC-ZCFIWIBFSA-N 0 0 184.195 1.029 10 0 ADAERN C[C@@H]1CCCC[C@@]12COC(N)=N2 83964614 573716109 /nfs/dbraw/zinc/71/61/09/573716109.db2.gz GGCKXSAZSZBMDY-VXNVDRBHSA-N 0 0 168.240 1.280 10 0 ADAERN OCC[C@@H]1CC[C@H](F)C1 108280528 573716117 /nfs/dbraw/zinc/71/61/17/573716117.db2.gz PWRSPPYRZMJKKI-BQBZGAKWSA-N 0 0 132.178 1.507 10 0 ADAERN C[C@@H]1C[C@@H](C)n2nncc2N1 258418187 573716123 /nfs/dbraw/zinc/71/61/23/573716123.db2.gz BQNAPHGRFPEBCJ-PHDIDXHHSA-N 0 0 152.201 1.043 10 0 ADAERN OCCc1ccc2c(c1F)OCCO2 258098454 573716124 /nfs/dbraw/zinc/71/61/24/573716124.db2.gz OOKUJYSOCKIZAX-UHFFFAOYSA-N 0 0 198.193 1.132 10 0 ADAERN OC[C@@H](F)c1ccco1 108280388 573716128 /nfs/dbraw/zinc/71/61/28/573716128.db2.gz FOXSUCMSNHYONP-RXMQYKEDSA-N 0 0 130.118 1.283 10 0 ADAERN OCC(F)(F)Cc1ccccc1F 257855015 573716138 /nfs/dbraw/zinc/71/61/38/573716138.db2.gz PTDLYROZLZSPMH-UHFFFAOYSA-N 0 0 190.164 1.996 10 0 ADAERN N=C1N[C@]2(CCc3ccccc32)CO1 83964515 573716142 /nfs/dbraw/zinc/71/61/42/573716142.db2.gz HXFBYOUTKHLSKB-LLVKDONJSA-N 0 0 188.230 1.173 10 0 ADAERN Cc1[nH]ccc1[C@H](N)C(F)(F)F 238493349 573716149 /nfs/dbraw/zinc/71/61/49/573716149.db2.gz SDASLHIJWAIZSF-LURJTMIESA-N 0 0 178.157 1.885 10 0 ADAERN CC(=O)C[C@H]1OC(C)(C)O[C@@H]1C 238493166 573716153 /nfs/dbraw/zinc/71/61/53/573716153.db2.gz TYQWUGFHLSGZNX-HTQZYQBOSA-N 0 0 172.224 1.506 10 0 ADAERN Cc1ccc(C[C@H]2CCO[C@H]2O)cc1 238493233 573716180 /nfs/dbraw/zinc/71/61/80/573716180.db2.gz JFPBUJYAZJBARD-VXGBXAGGSA-N 0 0 192.258 1.892 10 0 ADAERN CC[N@@H+]([C@H]1CCOC1)[C@@H](C)C(C)=O 393555563 573716188 /nfs/dbraw/zinc/71/61/88/573716188.db2.gz MMAJHOGHXMCQJF-WPRPVWTQSA-N 0 0 185.267 1.075 10 0 ADAERN NOCCC[C@H]1CCCCO1 257854519 573716193 /nfs/dbraw/zinc/71/61/93/573716193.db2.gz AGCZORCKJBIBPZ-MRVPVSSYSA-N 0 0 159.229 1.226 10 0 ADAERN C[C@@H]1CCC[C@@]2(COC(N)=N2)[C@@H]1C 83952654 573716196 /nfs/dbraw/zinc/71/61/96/573716196.db2.gz ZKSYCWMHTICRNH-NQMVMOMDSA-N 0 0 182.267 1.526 10 0 ADAERN C1=NCc2cc3ccccc3nc2N1 238039789 573716222 /nfs/dbraw/zinc/71/62/22/573716222.db2.gz JNBVJDDMJIKZMM-UHFFFAOYSA-N 0 0 183.214 1.998 10 0 ADAERN C[C@H]1SCCC[C@@]12COC(=O)N2 86969489 573716223 /nfs/dbraw/zinc/71/62/23/573716223.db2.gz DJGBPMFAZCXWQG-HTRCEHHLSA-N 0 0 187.264 1.381 10 0 ADAERN CCC[C@H]1C[C@@]2(CCO1)COC(N)=N2 83964601 573716228 /nfs/dbraw/zinc/71/62/28/573716228.db2.gz LGDBUXNOQPJLSR-WPRPVWTQSA-N 0 0 198.266 1.049 10 0 ADAERN OCc1nc(-c2ccc(F)cc2)co1 257854236 573716238 /nfs/dbraw/zinc/71/62/38/573716238.db2.gz PQFUYPNATOKYTF-UHFFFAOYSA-N 0 0 193.177 1.973 10 0 ADAERN COCCCCNn1cccc1 130868067 573716243 /nfs/dbraw/zinc/71/62/43/573716243.db2.gz FKDOCNYSPWEYRX-UHFFFAOYSA-N 0 0 168.240 1.458 10 0 ADAERN NC1=N[C@]2(CCC[C@@H](C3CC3)C2)CO1 83964951 573716245 /nfs/dbraw/zinc/71/62/45/573716245.db2.gz ZZUCHONNXVCDLO-KOLCDFICSA-N 0 0 194.278 1.670 10 0 ADAERN CCOC[C@]1(O)CCCS[C@@H]1C 86968379 573717435 /nfs/dbraw/zinc/71/74/35/573717435.db2.gz BIHQFGILGAKNFA-RKDXNWHRSA-N 0 0 190.308 1.670 10 0 ADAERN C/C=C/[C@@H](O)[C@H](O)c1ccncc1 238038536 573716264 /nfs/dbraw/zinc/71/62/64/573716264.db2.gz QJCSWGDEFMSBRM-HLKOZVMDSA-N 0 0 179.219 1.052 10 0 ADAERN CC(C)(O)c1c(F)ccc(F)c1O 258098671 573716267 /nfs/dbraw/zinc/71/62/67/573716267.db2.gz OQZXPOKKVLRARU-UHFFFAOYSA-N 0 0 188.173 1.898 10 0 ADAERN C[C@H]1CC(=O)c2ccccc2C(=O)N1 197526702 573716274 /nfs/dbraw/zinc/71/62/74/573716274.db2.gz YFZOEBPDCIWTGX-ZETCQYMHSA-N 0 0 189.214 1.391 10 0 ADAERN Nc1cnnc([C@H]2CCCSC2)c1 259562312 573716304 /nfs/dbraw/zinc/71/63/04/573716304.db2.gz WOWMOGYWYLNJRV-ZETCQYMHSA-N 0 0 195.291 1.669 10 0 ADAERN CC(C)[NH2+][C@@H]1CCC[C@H]1C(=O)[O-] 83963496 573716321 /nfs/dbraw/zinc/71/63/21/573716321.db2.gz IZVDSQCOJBEWMY-HTQZYQBOSA-N 0 0 171.240 1.238 10 0 ADAERN OC[C@H]1CCC[C@H](F)C1 108280511 573716330 /nfs/dbraw/zinc/71/63/30/573716330.db2.gz XGPBMLUFFUNKMS-BQBZGAKWSA-N 0 0 132.178 1.507 10 0 ADAERN CC(C)C(=O)c1nnc2sccn12 75854706 573716332 /nfs/dbraw/zinc/71/63/32/573716332.db2.gz XPFZJWZFOSXRFT-UHFFFAOYSA-N 0 0 195.247 1.630 10 0 ADAERN Oc1c[nH]c(Cc2ccncc2)n1 236575247 573716341 /nfs/dbraw/zinc/71/63/41/573716341.db2.gz QELUISLACSSGNS-UHFFFAOYSA-N 0 0 175.191 1.101 10 0 ADAERN O[C@H](c1cccnc1)C1(O)CCCC1 236578562 573716349 /nfs/dbraw/zinc/71/63/49/573716349.db2.gz IUTASKQJTTZPTQ-SNVBAGLBSA-N 0 0 193.246 1.420 10 0 ADAERN NC1=N[C@@H]([C@H]2CC=CCC2)CO1 83964894 573717444 /nfs/dbraw/zinc/71/74/44/573717444.db2.gz ZXSQOAKNJQSCEV-JGVFFNPUSA-N 0 0 166.224 1.056 10 0 ADAERN CC[C@H](C)[C@@H](C)NC=O 79042650 573716395 /nfs/dbraw/zinc/71/63/95/573716395.db2.gz YIIKBOIXQIPYNS-NKWVEPMBSA-N 0 0 129.203 1.167 10 0 ADAERN Cn1c(CON)cc2c(F)cccc21 258097260 573716413 /nfs/dbraw/zinc/71/64/13/573716413.db2.gz IHVPXZJEXOCPEV-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN C/C=C/[C@@H](O)n1nnc2ccccc21 238039868 573716421 /nfs/dbraw/zinc/71/64/21/573716421.db2.gz TVGGZJZOSIXPHM-JYBNPQIESA-N 0 0 189.218 1.498 10 0 ADAERN OCCc1nc2ccc(F)cc2s1 75856914 573716425 /nfs/dbraw/zinc/71/64/25/573716425.db2.gz IPDSJIDYXJWGQC-UHFFFAOYSA-N 0 0 197.234 1.970 10 0 ADAERN COC1=C[C@H]2CCC(=O)[C@H]12 197523950 573716430 /nfs/dbraw/zinc/71/64/30/573716430.db2.gz VBGHBHWSYXJAKH-SVGQVSJJSA-N 0 0 138.166 1.126 10 0 ADAERN ONCC[C@@H]1CCCS1 258418334 573716433 /nfs/dbraw/zinc/71/64/33/573716433.db2.gz BSADEVIGSFIONY-LURJTMIESA-N 0 0 147.243 1.251 10 0 ADAERN Cc1ccc(F)c2ccnn12 238494847 573716434 /nfs/dbraw/zinc/71/64/34/573716434.db2.gz IZDRYTPVAKAWTJ-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN CCc1cc(O)cc(C2(O)CC2)c1 258097586 573716436 /nfs/dbraw/zinc/71/64/36/573716436.db2.gz XKQACIZRLWGWRW-UHFFFAOYSA-N 0 0 178.231 1.936 10 0 ADAERN C/C(=C\Cl)CCCO 238039521 573716439 /nfs/dbraw/zinc/71/64/39/573716439.db2.gz CQYSBAOLWPLQSE-AATRIKPKSA-N 0 0 134.606 1.902 10 0 ADAERN O=Cc1nc(-c2ccco2)co1 108277660 573716448 /nfs/dbraw/zinc/71/64/48/573716448.db2.gz ZPKBTVMRMVTOGT-UHFFFAOYSA-N 0 0 163.132 1.747 10 0 ADAERN COc1cc(C[C@@H](C)O)ccc1O 108277957 573716462 /nfs/dbraw/zinc/71/64/62/573716462.db2.gz CWJQMDKBQUQLEV-SSDOTTSWSA-N 0 0 182.219 1.324 10 0 ADAERN C=CC(=O)N[C@H]1C=CCCC1 238039577 573716464 /nfs/dbraw/zinc/71/64/64/573716464.db2.gz GJBREHNWOHQRLN-QMMMGPOBSA-N 0 0 151.209 1.397 10 0 ADAERN C=CC(=O)N[C@@H]1CC=CCCC1 238039991 573716469 /nfs/dbraw/zinc/71/64/69/573716469.db2.gz OGDQYQNCFKZVBC-SECBINFHSA-N 0 0 165.236 1.787 10 0 ADAERN C=CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 238039890 573716478 /nfs/dbraw/zinc/71/64/78/573716478.db2.gz CGOWEIMOXIVZJQ-GJMOJQLCSA-N 0 0 151.209 1.087 10 0 ADAERN OCCCc1c[nH]c2cc(O)ccc12 108275409 573716479 /nfs/dbraw/zinc/71/64/79/573716479.db2.gz YEUKQRHLOTZHPR-UHFFFAOYSA-N 0 0 191.230 1.798 10 0 ADAERN C[C@@]1(c2ccccc2F)COC(=N)N1 83964387 573716480 /nfs/dbraw/zinc/71/64/80/573716480.db2.gz LDAKMDHNDJLWCB-JTQLQIEISA-N 0 0 194.209 1.386 10 0 ADAERN O=C([O-])[C@H]1[NH2+]CC[C@H]1C1CCCC1 83964863 573717453 /nfs/dbraw/zinc/71/74/53/573717453.db2.gz VJJPSSVEKZAFEQ-IUCAKERBSA-N 0 0 183.251 1.239 10 0 ADAERN CNC(=S)c1ccccc1O 75856507 573716490 /nfs/dbraw/zinc/71/64/90/573716490.db2.gz AXVULQULPXEMMY-UHFFFAOYSA-N 0 0 167.233 1.287 10 0 ADAERN Cc1nc2cc(N)c(C)cc2c(=O)[nH]1 238494395 573716497 /nfs/dbraw/zinc/71/64/97/573716497.db2.gz YYHLSBBSPOKZTR-UHFFFAOYSA-N 0 0 189.218 1.122 10 0 ADAERN ONCC[C@H]1CCCS1 258418344 573716502 /nfs/dbraw/zinc/71/65/02/573716502.db2.gz BSADEVIGSFIONY-ZCFIWIBFSA-N 0 0 147.243 1.251 10 0 ADAERN Cc1cc(=O)c2c(O)cccc2[nH]1 238493721 573716514 /nfs/dbraw/zinc/71/65/14/573716514.db2.gz FCZMPUNOODAUIT-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN C[C@@H]1CNc2cc(O)ccc2NC1=O 258418340 573716518 /nfs/dbraw/zinc/71/65/18/573716518.db2.gz DRGJMJSGMMWMNA-ZCFIWIBFSA-N 0 0 192.218 1.392 10 0 ADAERN C[C@H]1CNc2cc(O)ccc2NC1=O 258418330 573716523 /nfs/dbraw/zinc/71/65/23/573716523.db2.gz DRGJMJSGMMWMNA-LURJTMIESA-N 0 0 192.218 1.392 10 0 ADAERN Cc1cc(C)c2c(c1)C[C@H](C(N)=O)O2 238493987 573716537 /nfs/dbraw/zinc/71/65/37/573716537.db2.gz OMLRXJSIIPUUOQ-SECBINFHSA-N 0 0 191.230 1.092 10 0 ADAERN CC[C@]1(C)C[C@]2(CCO1)COC(N)=N2 83964985 573716550 /nfs/dbraw/zinc/71/65/50/573716550.db2.gz FKMZDSDHLGPMRZ-NXEZZACHSA-N 0 0 198.266 1.049 10 0 ADAERN O=c1[nH]c(C2CC2)co1 257854184 573716565 /nfs/dbraw/zinc/71/65/65/573716565.db2.gz SUEZEPFGJCEUNI-UHFFFAOYSA-N 0 0 125.127 1.258 10 0 ADAERN O=C([O-])[C@@H]1[NH2+]CC[C@H]1C1CCCC1 83964866 573716569 /nfs/dbraw/zinc/71/65/69/573716569.db2.gz VJJPSSVEKZAFEQ-DTWKUNHWSA-N 0 0 183.251 1.239 10 0 ADAERN C=CC(=O)N[C@@H]1C=CCCC1 238039967 573716570 /nfs/dbraw/zinc/71/65/70/573716570.db2.gz GJBREHNWOHQRLN-MRVPVSSYSA-N 0 0 151.209 1.397 10 0 ADAERN C=CC(=O)NC1=CCCC1 238038786 573716592 /nfs/dbraw/zinc/71/65/92/573716592.db2.gz JCWAFOSSUCTTKC-UHFFFAOYSA-N 0 0 137.182 1.356 10 0 ADAERN C[C@@H]1CC(=O)c2ccccc2C(=O)N1 197526696 573716598 /nfs/dbraw/zinc/71/65/98/573716598.db2.gz YFZOEBPDCIWTGX-SSDOTTSWSA-N 0 0 189.214 1.391 10 0 ADAERN CNC(=S)c1cccc(C)c1 75856504 573716611 /nfs/dbraw/zinc/71/66/11/573716611.db2.gz FPUXNMBXZICSTR-UHFFFAOYSA-N 0 0 165.261 1.890 10 0 ADAERN C=CC(=O)NC(=C)c1ccccc1 238038530 573716626 /nfs/dbraw/zinc/71/66/26/573716626.db2.gz FQZTUXZFWNPWSN-UHFFFAOYSA-N 0 0 173.215 1.960 10 0 ADAERN OCC[C@H]1CCC[C@H]1F 108280540 573716628 /nfs/dbraw/zinc/71/66/28/573716628.db2.gz JGWRGFPVXXSJSS-RNFRBKRXSA-N 0 0 132.178 1.507 10 0 ADAERN O=Cc1nc(-c2ccc(O)cc2)co1 257854994 573716651 /nfs/dbraw/zinc/71/66/51/573716651.db2.gz PSKNXYWMMDMUNA-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN C=CC(=O)NC(=O)OC1CCCC1 238038691 573716673 /nfs/dbraw/zinc/71/66/73/573716673.db2.gz BWXMYKOZODOQOH-UHFFFAOYSA-N 0 0 183.207 1.368 10 0 ADAERN Cc1ccc2c(n1)C(=O)OC2 238494378 573716678 /nfs/dbraw/zinc/71/66/78/573716678.db2.gz REYLECLSWXQBDA-UHFFFAOYSA-N 0 0 149.149 1.060 10 0 ADAERN CCn1cc(CO)c2cc(O)ccc21 257854509 573716682 /nfs/dbraw/zinc/71/66/82/573716682.db2.gz FOTOCPZOPYMQAD-UHFFFAOYSA-N 0 0 191.230 1.859 10 0 ADAERN CC1(C)CCC[C@@]2(COC(N)=N2)C1 83964738 573716698 /nfs/dbraw/zinc/71/66/98/573716698.db2.gz QDAYYQMAXVSYOT-JTQLQIEISA-N 0 0 182.267 1.670 10 0 ADAERN CC[C@@]1(C)C[C@]2(CCO1)COC(N)=N2 83964988 573716715 /nfs/dbraw/zinc/71/67/15/573716715.db2.gz FKMZDSDHLGPMRZ-VHSXEESVSA-N 0 0 198.266 1.049 10 0 ADAERN CNC(=S)c1ccc2c(c1)OCO2 75856535 573716722 /nfs/dbraw/zinc/71/67/22/573716722.db2.gz GSHDHGPHBXJCGW-UHFFFAOYSA-N 0 0 195.243 1.310 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1ccoc1 236564446 573716729 /nfs/dbraw/zinc/71/67/29/573716729.db2.gz DKVXZFVSTJQCAU-ZJUUUORDSA-N 0 0 182.219 1.220 10 0 ADAERN Cc1[nH+]c(N(C)CC2CC2)ccc1N 122269384 573716748 /nfs/dbraw/zinc/71/67/48/573716748.db2.gz ZJADFILGJMROJQ-UHFFFAOYSA-N 0 0 191.278 1.818 10 0 ADAERN Cc1cc(C)c2c(c1)C[C@@H](C(N)=O)O2 238494061 573716765 /nfs/dbraw/zinc/71/67/65/573716765.db2.gz OMLRXJSIIPUUOQ-VIFPVBQESA-N 0 0 191.230 1.092 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]2(COC(N)=N2)C1 83964396 573717459 /nfs/dbraw/zinc/71/74/59/573717459.db2.gz PDDFROXIBJSXAU-GZMMTYOYSA-N 0 0 196.294 1.916 10 0 ADAERN CCC[C@@H](C)[C@@H]1COC(N)=N1 83964466 573716802 /nfs/dbraw/zinc/71/68/02/573716802.db2.gz KWVLLIPLRFQDCT-RQJHMYQMSA-N 0 0 156.229 1.136 10 0 ADAERN Cc1c[nH]c(=O)n1-c1ccc(O)cc1 108268063 573716823 /nfs/dbraw/zinc/71/68/23/573716823.db2.gz SYHLIJKSMIPLKH-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN CCn1ncc(CCO)c1Cl 257854250 573716852 /nfs/dbraw/zinc/71/68/52/573716852.db2.gz BORFHFKKTPMSIZ-UHFFFAOYSA-N 0 0 174.631 1.091 10 0 ADAERN O=C([O-])[C@H]1[NH2+]CC[C@@H]1C1CCCC1 83964865 573716867 /nfs/dbraw/zinc/71/68/67/573716867.db2.gz VJJPSSVEKZAFEQ-BDAKNGLRSA-N 0 0 183.251 1.239 10 0 ADAERN OCC[C@@H]1CCC[C@H]1F 108280544 573716874 /nfs/dbraw/zinc/71/68/74/573716874.db2.gz JGWRGFPVXXSJSS-NKWVEPMBSA-N 0 0 132.178 1.507 10 0 ADAERN Cc1cc(-c2cc[nH]c2)cc(=O)[nH]1 83963686 573716875 /nfs/dbraw/zinc/71/68/75/573716875.db2.gz DMQHIKACMVGSOJ-UHFFFAOYSA-N 0 0 174.203 1.678 10 0 ADAERN C[C@H]1CCc2noc(N)c21 108280799 573716888 /nfs/dbraw/zinc/71/68/88/573716888.db2.gz HBQMUUIGIFVJMT-BYPYZUCNSA-N 0 0 138.170 1.307 10 0 ADAERN CNC(=S)c1ccc(N)c(F)c1 75856523 573716962 /nfs/dbraw/zinc/71/69/62/573716962.db2.gz HNOHMJWYJMRNEE-UHFFFAOYSA-N 0 0 184.239 1.303 10 0 ADAERN C[C@H]1C[C@H](NC=O)CC(C)(C)C1 223318813 573716963 /nfs/dbraw/zinc/71/69/63/573716963.db2.gz YLOJMUOCTGQKOW-IUCAKERBSA-N 0 0 169.268 1.947 10 0 ADAERN Cn1cc(N)ccc1=S 108275602 573716977 /nfs/dbraw/zinc/71/69/77/573716977.db2.gz BOCSWYOYHCRPGO-UHFFFAOYSA-N 0 0 140.211 1.337 10 0 ADAERN CNC(=S)c1nccs1 75856502 573716979 /nfs/dbraw/zinc/71/69/79/573716979.db2.gz QICVRIUHCLOBBQ-UHFFFAOYSA-N 0 0 158.251 1.038 10 0 ADAERN CC[C@]1(c2ccccc2)COC(=N)N1 83952685 573717001 /nfs/dbraw/zinc/71/70/01/573717001.db2.gz MOZOHNONGMJIBN-LLVKDONJSA-N 0 0 190.246 1.637 10 0 ADAERN OCCc1cc(O)ccc1F 258097825 573717004 /nfs/dbraw/zinc/71/70/04/573717004.db2.gz XNRXELBCQJLVHM-UHFFFAOYSA-N 0 0 156.156 1.066 10 0 ADAERN OCC[C@@H]1CCC[C@@H]1F 108280549 573717008 /nfs/dbraw/zinc/71/70/08/573717008.db2.gz JGWRGFPVXXSJSS-BQBZGAKWSA-N 0 0 132.178 1.507 10 0 ADAERN Cc1cc(O)ccc1-c1cc(N)no1 258098483 573717012 /nfs/dbraw/zinc/71/70/12/573717012.db2.gz OOXBOJHSOVBNSQ-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CNC(=S)c1ccccc1F 75856463 573717027 /nfs/dbraw/zinc/71/70/27/573717027.db2.gz RMHHVBFOYPSWHL-UHFFFAOYSA-N 0 0 169.224 1.721 10 0 ADAERN OCCc1ccc(O)cc1F 75856856 573717046 /nfs/dbraw/zinc/71/70/46/573717046.db2.gz LZPDMBMKDGLDMO-UHFFFAOYSA-N 0 0 156.156 1.066 10 0 ADAERN Nc1ccc(C[C@@H]2CCSC2)nn1 259562278 573717047 /nfs/dbraw/zinc/71/70/47/573717047.db2.gz WOLHFNGUDCLNGN-ZETCQYMHSA-N 0 0 195.291 1.354 10 0 ADAERN C/C=C/[C@@H](O)[C@](C)(O)c1ccncc1 238039129 573717087 /nfs/dbraw/zinc/71/70/87/573717087.db2.gz KMTUTVIDCYRFPZ-YIZUVKHSSA-N 0 0 193.246 1.226 10 0 ADAERN COCCCCNc1cnn(C)c1 130869845 573717112 /nfs/dbraw/zinc/71/71/12/573717112.db2.gz QKUJOTDHXTWPBD-UHFFFAOYSA-N 0 0 183.255 1.259 10 0 ADAERN C[C@@H]1C[C@H](NC=O)CC(C)(C)C1 223318761 573717115 /nfs/dbraw/zinc/71/71/15/573717115.db2.gz YLOJMUOCTGQKOW-BDAKNGLRSA-N 0 0 169.268 1.947 10 0 ADAERN OC1(c2cccc3c2OCCC3)CC1 258098576 573717117 /nfs/dbraw/zinc/71/71/17/573717117.db2.gz OQASISAMWKSHRR-UHFFFAOYSA-N 0 0 190.242 1.993 10 0 ADAERN Oc1c[nH]c(-c2cccs2)n1 236576141 573717128 /nfs/dbraw/zinc/71/71/28/573717128.db2.gz LXZGIYPRVXNGHP-UHFFFAOYSA-N 0 0 166.205 1.844 10 0 ADAERN C[C@H]1C[C@H](C)n2nncc2N1 258418207 573717133 /nfs/dbraw/zinc/71/71/33/573717133.db2.gz BQNAPHGRFPEBCJ-WDSKDSINSA-N 0 0 152.201 1.043 10 0 ADAERN COC(=O)[C@@H](C(C)C)C1(C)COC1 258512350 573717179 /nfs/dbraw/zinc/71/71/79/573717179.db2.gz GFMAZQHNLKSVNO-MRVPVSSYSA-N 0 0 186.251 1.468 10 0 ADAERN NOCCc1ccc2cnsc2c1 258098496 573717182 /nfs/dbraw/zinc/71/71/82/573717182.db2.gz OPDAVURYTREXFK-UHFFFAOYSA-N 0 0 194.259 1.729 10 0 ADAERN OCCc1cnc(C(F)(F)F)nc1 75856904 573717185 /nfs/dbraw/zinc/71/71/85/573717185.db2.gz WQFVOKWKFIBYHT-UHFFFAOYSA-N 0 0 192.140 1.030 10 0 ADAERN Cc1oc(CN)nc1[C@H]1CCCOC1 258097202 573717187 /nfs/dbraw/zinc/71/71/87/573717187.db2.gz NNXOXVMYNAEPMN-QMMMGPOBSA-N 0 0 196.250 1.336 10 0 ADAERN C[C@H]1CO[C@@H](c2ccc(O)cc2)[NH2+]1 258512082 573717191 /nfs/dbraw/zinc/71/71/91/573717191.db2.gz MRYCPPGACQVQDD-XVKPBYJWSA-N 0 0 179.219 1.399 10 0 ADAERN C/C=C/[C@@H](O)[C@](C)(O)c1cccnc1 238039095 573717212 /nfs/dbraw/zinc/71/72/12/573717212.db2.gz BGALDLZGCIJJMS-UQRCUPDISA-N 0 0 193.246 1.226 10 0 ADAERN C[C@@H](CO)c1c(F)ccc2c1CCO2 258098594 573717215 /nfs/dbraw/zinc/71/72/15/573717215.db2.gz OQGMDCRNZUACSL-ZETCQYMHSA-N 0 0 196.221 1.856 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@H]1c1ccccc1F 257854217 573717261 /nfs/dbraw/zinc/71/72/61/573717261.db2.gz PPUACBOOWLVOJA-CBAPKCEASA-N 0 0 195.193 1.171 10 0 ADAERN CCOC[C@@]1(O)CCCS[C@@H]1C 86968382 573717263 /nfs/dbraw/zinc/71/72/63/573717263.db2.gz BIHQFGILGAKNFA-BDAKNGLRSA-N 0 0 190.308 1.670 10 0 ADAERN CCC[C@H](C)[C@@H]1COC(N)=N1 83964468 573717274 /nfs/dbraw/zinc/71/72/74/573717274.db2.gz KWVLLIPLRFQDCT-BQBZGAKWSA-N 0 0 156.229 1.136 10 0 ADAERN Oc1c[nH]c(-c2cncs2)n1 236576305 573717315 /nfs/dbraw/zinc/71/73/15/573717315.db2.gz XBDHAFLLWKOXIV-UHFFFAOYSA-N 0 0 167.193 1.239 10 0 ADAERN Cc1cncc(-c2ocnc2CO)c1 238494291 573717342 /nfs/dbraw/zinc/71/73/42/573717342.db2.gz RORUJHPYCWFCPN-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1c(O)ccc(C2(O)CC2)c1C 258097533 573717344 /nfs/dbraw/zinc/71/73/44/573717344.db2.gz XJMVCTAJEGJRBU-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(COC(N)=N2)C1 83952662 573717346 /nfs/dbraw/zinc/71/73/46/573717346.db2.gz OTNPWPNVPZZBPO-HTQZYQBOSA-N 0 0 182.267 1.526 10 0 ADAERN C[C@H]1CO[C@H](c2ccc(O)cc2)[NH2+]1 258512075 573717348 /nfs/dbraw/zinc/71/73/48/573717348.db2.gz MRYCPPGACQVQDD-OIBJUYFYSA-N 0 0 179.219 1.399 10 0 ADAERN C=CC(=O)NC(=O)Cc1ccccc1 238038631 573717350 /nfs/dbraw/zinc/71/73/50/573717350.db2.gz FYUTWMSAOJIUSI-UHFFFAOYSA-N 0 0 189.214 1.058 10 0 ADAERN CC[C@H](C)[C@H](C)NC=O 79042657 573717353 /nfs/dbraw/zinc/71/73/53/573717353.db2.gz YIIKBOIXQIPYNS-BQBZGAKWSA-N 0 0 129.203 1.167 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@@H]1c1ccccc1F 257854219 573717356 /nfs/dbraw/zinc/71/73/56/573717356.db2.gz PPUACBOOWLVOJA-IONNQARKSA-N 0 0 195.193 1.171 10 0 ADAERN CC(C)c1nnc2cc(N)ccn12 83963796 573717378 /nfs/dbraw/zinc/71/73/78/573717378.db2.gz MNCFGDBTHMKCHL-UHFFFAOYSA-N 0 0 176.223 1.435 10 0 ADAERN Cc1ccc(F)c2cncn12 238494943 573717382 /nfs/dbraw/zinc/71/73/82/573717382.db2.gz XBNDMQOORZELEW-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN N=C1N[C@@]2(CCc3ccccc32)CO1 83964517 573717472 /nfs/dbraw/zinc/71/74/72/573717472.db2.gz HXFBYOUTKHLSKB-NSHDSACASA-N 0 0 188.230 1.173 10 0 ADAERN O[C@H]1CC[C@@H](n2cccc2)C1 108282118 573717473 /nfs/dbraw/zinc/71/74/73/573717473.db2.gz OBBDFOJEEXHEHK-BDAKNGLRSA-N 0 0 151.209 1.574 10 0 ADAERN O[C@@H]1CC[C@@H]2N=CS[C@@H]2C1 258098150 573717506 /nfs/dbraw/zinc/71/75/06/573717506.db2.gz UZOLXAJHYJJMKU-DSYKOEDSSA-N 0 0 157.238 1.044 10 0 ADAERN CC[C@H]1NN1C1CCCCC1 197530198 573717520 /nfs/dbraw/zinc/71/75/20/573717520.db2.gz AFXIEFQTJJSXID-FTNKSUMCSA-N 0 0 154.257 1.875 10 0 ADAERN Cc1cc(C)c2c(c1C)OC(=O)[C@H]2O 238494809 573717525 /nfs/dbraw/zinc/71/75/25/573717525.db2.gz IYPVCTJLAWSBKK-VIFPVBQESA-N 0 0 192.214 1.564 10 0 ADAERN Cc1cc2c(=O)cc(C)[nH]c2c(C)n1 238494934 573717532 /nfs/dbraw/zinc/71/75/32/573717532.db2.gz BDIDOOJEMRGAGU-UHFFFAOYSA-N 0 0 188.230 1.848 10 0 ADAERN C[C@@H]1CCc2nn(C)c(N)c21 108282156 573717541 /nfs/dbraw/zinc/71/75/41/573717541.db2.gz XYCRIRXLQPINFB-RXMQYKEDSA-N 0 0 151.213 1.052 10 0 ADAERN Cc1cccc([C@@H]2C[C@@H](C(=O)[O-])[NH2+]2)c1 257854161 573717579 /nfs/dbraw/zinc/71/75/79/573717579.db2.gz PPAOBBRHEHYSEP-UWVGGRQHSA-N 0 0 191.230 1.483 10 0 ADAERN Cc1ncc(Cl)nc1N 223310909 573717604 /nfs/dbraw/zinc/71/76/04/573717604.db2.gz NUZUSJGFJZVTIT-UHFFFAOYSA-N 0 0 143.577 1.021 10 0 ADAERN NC1=N[C@@]2(CCC[C@@H](C3CC3)C2)CO1 83964953 573717615 /nfs/dbraw/zinc/71/76/15/573717615.db2.gz ZZUCHONNXVCDLO-MWLCHTKSSA-N 0 0 194.278 1.670 10 0 ADAERN C[C@]1(C2CCCCC2)COC(N)=N1 83964578 573717627 /nfs/dbraw/zinc/71/76/27/573717627.db2.gz MREKVJADKNSRLF-SNVBAGLBSA-N 0 0 182.267 1.670 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@]2(COC(N)=N2)C1 83964393 573717644 /nfs/dbraw/zinc/71/76/44/573717644.db2.gz PDDFROXIBJSXAU-LDYMZIIASA-N 0 0 196.294 1.916 10 0 ADAERN C[C@H]1Cc2ccc(C=O)cc2N1C 258097513 573717649 /nfs/dbraw/zinc/71/76/49/573717649.db2.gz NRUOYWNBXRZZIE-QMMMGPOBSA-N 0 0 175.231 1.880 10 0 ADAERN CC[C@@H]1CCC[C@@]2(COC(N)=N2)C1 83964761 573717660 /nfs/dbraw/zinc/71/76/60/573717660.db2.gz WCTKLMDHKBLVND-SCZZXKLOSA-N 0 0 182.267 1.670 10 0 ADAERN COc1cc(C)c(CCO)c(O)c1C 258098655 573717667 /nfs/dbraw/zinc/71/76/67/573717667.db2.gz OQTKQUFUDOUHBC-UHFFFAOYSA-N 0 0 196.246 1.552 10 0 ADAERN Cc1cccc([C@@H](F)CO)c1 108282671 573717684 /nfs/dbraw/zinc/71/76/84/573717684.db2.gz NFTRJJLYRLAROC-VIFPVBQESA-N 0 0 154.184 1.998 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CO)[NH2+]C2 238494251 573717711 /nfs/dbraw/zinc/71/77/11/573717711.db2.gz NDZVXZSTYVXITI-SNVBAGLBSA-N 0 0 163.220 1.132 10 0 ADAERN Cc1cc(O)ccc1CCON 258097845 573717720 /nfs/dbraw/zinc/71/77/20/573717720.db2.gz XNUIDKQJXSYOKG-UHFFFAOYSA-N 0 0 167.208 1.133 10 0 ADAERN COC[C@@]1(O)CCCS[C@@H]1C 86968398 573717724 /nfs/dbraw/zinc/71/77/24/573717724.db2.gz PKMNHTAFYDHQRB-SFYZADRCSA-N 0 0 176.281 1.279 10 0 ADAERN Oc1c[nH]c(Cc2cccnc2)n1 236575206 573717734 /nfs/dbraw/zinc/71/77/34/573717734.db2.gz NMPMIMXHOWIOEF-UHFFFAOYSA-N 0 0 175.191 1.101 10 0 ADAERN Cc1ccc2c(c1)[C@@H]([C@@H](C)O)CO2 258097689 573717836 /nfs/dbraw/zinc/71/78/36/573717836.db2.gz NTCDSWXADYESOQ-PSASIEDQSA-N 0 0 178.231 1.852 10 0 ADAERN Oc1c[nH]c(Cc2ccccc2F)n1 236575164 573717827 /nfs/dbraw/zinc/71/78/27/573717827.db2.gz FVSFRJMZHUOCJC-UHFFFAOYSA-N 0 0 192.193 1.845 10 0 ADAERN O=C(OCCCO)[C@H]1CC[C@H](F)C1 393555638 573717843 /nfs/dbraw/zinc/71/78/43/573717843.db2.gz NEKXJIQMRAUULY-YUMQZZPRSA-N 0 0 190.214 1.050 10 0 ADAERN Cc1oc2c(c(=O)c1O)CCC[C@H]2O 238493956 573717847 /nfs/dbraw/zinc/71/78/47/573717847.db2.gz XKOHBZKOOYLZME-SSDOTTSWSA-N 0 0 196.202 1.024 10 0 ADAERN O=C1C[C@@H]([C@H]2CCCCCCC2=O)N1 223314034 573717851 /nfs/dbraw/zinc/71/78/51/573717851.db2.gz BBMWPLXWQGPGSH-BDAKNGLRSA-N 0 0 195.262 1.414 10 0 ADAERN Cc1ccc2c(c1)[C@@H]([NH3+])COC2 238494433 573717892 /nfs/dbraw/zinc/71/78/92/573717892.db2.gz FSEKCHJGTOEKDY-JTQLQIEISA-N 0 0 163.220 1.525 10 0 ADAERN Nc1n[nH]cc1-c1ccc(O)c(F)c1 258098414 573717898 /nfs/dbraw/zinc/71/78/98/573717898.db2.gz ONCFMOJWZQVBND-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN O=C1CSC[C@@H](C2CCCCC2)N1 257857172 573718581 /nfs/dbraw/zinc/71/85/81/573718581.db2.gz NXMACDBIXNGJNL-VIFPVBQESA-N 0 0 199.319 1.798 10 0 ADAERN Cc1ccc2c(c1)[C@@H]([C@H](C)O)CO2 258097702 573717939 /nfs/dbraw/zinc/71/79/39/573717939.db2.gz NTCDSWXADYESOQ-WCBMZHEXSA-N 0 0 178.231 1.852 10 0 ADAERN Cc1ccc([C@H](F)CO)cc1 108282680 573717960 /nfs/dbraw/zinc/71/79/60/573717960.db2.gz PPOAKXXNGMQXAA-SECBINFHSA-N 0 0 154.184 1.998 10 0 ADAERN Cc1ccc(N(C)CC(C)(C)O)o1 258891751 573717978 /nfs/dbraw/zinc/71/79/78/573717978.db2.gz RDUXTLANVGABHL-UHFFFAOYSA-N 0 0 183.251 1.795 10 0 ADAERN CCc1ccc(C(=O)CN)cc1C 258097405 573717999 /nfs/dbraw/zinc/71/79/99/573717999.db2.gz XIWBIRMRCNPEPX-UHFFFAOYSA-N 0 0 177.247 1.699 10 0 ADAERN C[C@]1(O)COc2cc(C=O)ccc21 197535343 573718011 /nfs/dbraw/zinc/71/80/11/573718011.db2.gz OYRQEESJYGXNLW-JTQLQIEISA-N 0 0 178.187 1.099 10 0 ADAERN Cc1ccc([C@H](F)CO)o1 108281534 573718014 /nfs/dbraw/zinc/71/80/14/573718014.db2.gz CKHCTFXNQLXQIN-ZCFIWIBFSA-N 0 0 144.145 1.591 10 0 ADAERN CCCC1(CC(=O)OC)COC1 258512185 573718016 /nfs/dbraw/zinc/71/80/16/573718016.db2.gz GCZFAOVXFWUDBH-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN OCC1(F)CCSCC1 108282045 573718022 /nfs/dbraw/zinc/71/80/22/573718022.db2.gz OGEYIRGHHXCCBB-UHFFFAOYSA-N 0 0 150.218 1.214 10 0 ADAERN Cc1oc(CN)nc1[C@@H]1CCCOC1 258097200 573718025 /nfs/dbraw/zinc/71/80/25/573718025.db2.gz NNXOXVMYNAEPMN-MRVPVSSYSA-N 0 0 196.250 1.336 10 0 ADAERN Cc1ccc2c(c1)C(=O)C[C@H](CO)C2 238494876 573718031 /nfs/dbraw/zinc/71/80/31/573718031.db2.gz LZWOFDHIHOAALB-SECBINFHSA-N 0 0 190.242 1.732 10 0 ADAERN CC(C)C1=N[C@@H]2C[C@H](O)CC[C@H]2O1 258097936 573718043 /nfs/dbraw/zinc/71/80/43/573718043.db2.gz UXCLHCLTAZSDOM-IWSPIJDZSA-N 0 0 183.251 1.353 10 0 ADAERN CC(C)C[C@@H](C[C@@H]1CCCO1)NN 97488755 573718044 /nfs/dbraw/zinc/71/80/44/573718044.db2.gz VHPNUPDJVRKEQZ-UWVGGRQHSA-N 0 0 186.299 1.434 10 0 ADAERN OC[C@]1(F)CCCSC1 108282054 573718094 /nfs/dbraw/zinc/71/80/94/573718094.db2.gz QVTLDQDDQQOBAQ-ZCFIWIBFSA-N 0 0 150.218 1.214 10 0 ADAERN CC(C)[C@@H](C)S[C@@H]1COC[C@H]1O 687965479 573718098 /nfs/dbraw/zinc/71/80/98/573718098.db2.gz HCBOAJIDWGUZPT-IWSPIJDZSA-N 0 0 190.308 1.524 10 0 ADAERN CCOC[C@@H](O)Cc1ccoc1 130799287 573718104 /nfs/dbraw/zinc/71/81/04/573718104.db2.gz LYDMUFLINGHNFM-VIFPVBQESA-N 0 0 170.208 1.220 10 0 ADAERN O[C@@H]1CC[C@H](n2cccc2)C1 108282127 573718110 /nfs/dbraw/zinc/71/81/10/573718110.db2.gz OBBDFOJEEXHEHK-DTWKUNHWSA-N 0 0 151.209 1.574 10 0 ADAERN Cc1cc(O)c2ncccc2c1N 238494397 573718112 /nfs/dbraw/zinc/71/81/12/573718112.db2.gz PUUBPTGZJUSYEC-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN OCCCc1cc(CO)ccc1F 258098699 573718135 /nfs/dbraw/zinc/71/81/35/573718135.db2.gz ORPFGKZQOABLTF-UHFFFAOYSA-N 0 0 184.210 1.243 10 0 ADAERN C[C@@H]1CCC[C@]12COC(=O)N2 83965715 573718144 /nfs/dbraw/zinc/71/81/44/573718144.db2.gz XVCNXISTQRVNDX-SVRRBLITSA-N 0 0 155.197 1.285 10 0 ADAERN CC(C)C1=N[C@@H]2C[C@@H](O)CC[C@H]2O1 258097933 573718145 /nfs/dbraw/zinc/71/81/45/573718145.db2.gz UXCLHCLTAZSDOM-DJLDLDEBSA-N 0 0 183.251 1.353 10 0 ADAERN CS(=O)(=O)c1cccc2c1CCC2 223286056 573718147 /nfs/dbraw/zinc/71/81/47/573718147.db2.gz UACUZFRHJGFXMX-UHFFFAOYSA-N 0 0 196.271 1.579 10 0 ADAERN c1cncc([C@@H]2CCCOC2)c1 238027554 573718148 /nfs/dbraw/zinc/71/81/48/573718148.db2.gz PFEKHVMKIRTYPQ-SNVBAGLBSA-N 0 0 163.220 1.976 10 0 ADAERN C[C@@]1(Nc2ccccc2)C=CNC1=O 238494786 573718160 /nfs/dbraw/zinc/71/81/60/573718160.db2.gz YIPUCXMSYTXIJM-LLVKDONJSA-N 0 0 188.230 1.501 10 0 ADAERN CC[C@H]1CC[C@]2(COC(N)=N2)C1 83965141 573718164 /nfs/dbraw/zinc/71/81/64/573718164.db2.gz JOIISVVBDQEUFA-IONNQARKSA-N 0 0 168.240 1.280 10 0 ADAERN CCOCC(=O)OC1CC(C)(C)C1 393556073 573718166 /nfs/dbraw/zinc/71/81/66/573718166.db2.gz SCFHSDPMBYSILC-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@@H]1CCc2noc(N)c21 108282201 573718167 /nfs/dbraw/zinc/71/81/67/573718167.db2.gz GBHCDGZYQFTUAP-RXMQYKEDSA-N 0 0 152.197 1.697 10 0 ADAERN OCCCOc1cccs1 197527608 573718172 /nfs/dbraw/zinc/71/81/72/573718172.db2.gz NVABSRVRYFDHLP-UHFFFAOYSA-N 0 0 158.222 1.509 10 0 ADAERN C[C@@H]1CCC[C@]2(COC(=O)N2)[C@@H]1C 83965293 573718182 /nfs/dbraw/zinc/71/81/82/573718182.db2.gz KUPDOCOKBOUBNL-MRTMQBJTSA-N 0 0 183.251 1.921 10 0 ADAERN NC1=[NH+]C[C@H](C2CCCCC2)O1 83966469 573718190 /nfs/dbraw/zinc/71/81/90/573718190.db2.gz WJMGQTZEFBXLAH-MRVPVSSYSA-N 0 0 168.240 1.280 10 0 ADAERN C[C@@H]1Cc2c(CON)cccc2N1C 258097635 573718213 /nfs/dbraw/zinc/71/82/13/573718213.db2.gz NSYMLYMBSOXOAP-MRVPVSSYSA-N 0 0 192.262 1.458 10 0 ADAERN CC1(C)C[C@]2(CCO1)COC(=O)N2 83966127 573718215 /nfs/dbraw/zinc/71/82/15/573718215.db2.gz BGBCGJYBCPPGRI-SECBINFHSA-N 0 0 185.223 1.054 10 0 ADAERN CC1CCC(F)(CO)CC1 108281780 573718217 /nfs/dbraw/zinc/71/82/17/573718217.db2.gz DVLLHYXBATZKKK-UHFFFAOYSA-N 0 0 146.205 1.897 10 0 ADAERN C[C@@H](O)Cc1c(O)ccc(F)c1F 258098350 573718219 /nfs/dbraw/zinc/71/82/19/573718219.db2.gz OLWZKSLWJCPHNC-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN Cc1ccc([C@@H]2COC(=O)N2)cc1 83965945 573718228 /nfs/dbraw/zinc/71/82/28/573718228.db2.gz QRSDKEKAXGYBGS-VIFPVBQESA-N 0 0 177.203 1.776 10 0 ADAERN COc1cccc2c1C[C@](C)(CO)N2 258097664 573718231 /nfs/dbraw/zinc/71/82/31/573718231.db2.gz IJHDULXZTONDSQ-LLVKDONJSA-N 0 0 193.246 1.414 10 0 ADAERN Cc1oc2c(N)cccc2c(=O)c1C 238494483 573718252 /nfs/dbraw/zinc/71/82/52/573718252.db2.gz ABYKBCBMHZVGDC-UHFFFAOYSA-N 0 0 189.214 1.992 10 0 ADAERN C[C@@]1(O)C(=O)Nc2cccc(Cl)c21 238494945 573718257 /nfs/dbraw/zinc/71/82/57/573718257.db2.gz YNGCAKILQPCZEG-VIFPVBQESA-N 0 0 197.621 1.500 10 0 ADAERN [NH2+]=C1NC[C@H](c2cc(F)ccc2F)O1 83966350 573718290 /nfs/dbraw/zinc/71/82/90/573718290.db2.gz PDBHDKJFOPEZRJ-MRVPVSSYSA-N 0 0 198.172 1.351 10 0 ADAERN COc1c(O)ccc(C)c1CC(C)=O 258098425 573718298 /nfs/dbraw/zinc/71/82/98/573718298.db2.gz ONVBTSUJNFPCRD-UHFFFAOYSA-N 0 0 194.230 1.841 10 0 ADAERN OC[C@@H](F)c1ccncc1 108281074 573718592 /nfs/dbraw/zinc/71/85/92/573718592.db2.gz MAZNQBIWSGSUJZ-SSDOTTSWSA-N 0 0 141.145 1.085 10 0 ADAERN C[C@@H]1Cc2ccc(C=O)cc2N1C 258097507 573718324 /nfs/dbraw/zinc/71/83/24/573718324.db2.gz NRUOYWNBXRZZIE-MRVPVSSYSA-N 0 0 175.231 1.880 10 0 ADAERN O[C@H](C1=CCCCO1)C1(O)CCCC1 236564993 573718347 /nfs/dbraw/zinc/71/83/47/573718347.db2.gz WKAHSRPUQRLXKS-SNVBAGLBSA-N 0 0 198.262 1.347 10 0 ADAERN Cc1ccc([C@H]2COC(=O)N2)s1 83965830 573718352 /nfs/dbraw/zinc/71/83/52/573718352.db2.gz MLZHWDGHCGAPBZ-ZCFIWIBFSA-N 0 0 183.232 1.837 10 0 ADAERN Cc1cc(C)c2c(c1)CC[C@H](CO)O2 238494044 573718359 /nfs/dbraw/zinc/71/83/59/573718359.db2.gz OCAAONDSCBCSKY-LLVKDONJSA-N 0 0 192.258 1.989 10 0 ADAERN CC(C)(CO)c1ccc(O)cc1F 257856074 573718365 /nfs/dbraw/zinc/71/83/65/573718365.db2.gz TXYSZCHGACHSJB-UHFFFAOYSA-N 0 0 184.210 1.801 10 0 ADAERN C[C@@H]1C[C@@H](NC=O)CC(C)(C)C1 223318870 573718374 /nfs/dbraw/zinc/71/83/74/573718374.db2.gz YLOJMUOCTGQKOW-RKDXNWHRSA-N 0 0 169.268 1.947 10 0 ADAERN CC(C)[C@H]1C[C@@]2(CCO1)COC(=O)N2 83965335 573718379 /nfs/dbraw/zinc/71/83/79/573718379.db2.gz QLFLHPOUEYRCQN-SCZZXKLOSA-N 0 0 199.250 1.300 10 0 ADAERN C[C@H](O)c1ccc(-n2cccn2)nc1 124952853 573718401 /nfs/dbraw/zinc/71/84/01/573718401.db2.gz FVDUTKDLDNGWCO-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN CC(C)c1c(C=O)nnn1C1CCC1 257855952 573718406 /nfs/dbraw/zinc/71/84/06/573718406.db2.gz PZPULXWWSSYMTA-UHFFFAOYSA-N 0 0 193.250 1.939 10 0 ADAERN CC[C@H]1CC[C@@]2(COC(=O)N2)C1 83966251 573718417 /nfs/dbraw/zinc/71/84/17/573718417.db2.gz DUYIKNHAPFZHJE-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN C[C@@H](c1ccccc1)[C@H]1COC(=O)N1 83965563 573718423 /nfs/dbraw/zinc/71/84/23/573718423.db2.gz NKURPARMBKSIEO-WCBMZHEXSA-N 0 0 191.230 1.899 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1ccccn1 236564337 573718424 /nfs/dbraw/zinc/71/84/24/573718424.db2.gz LVQLVAZLFZFWBB-KOLCDFICSA-N 0 0 193.246 1.022 10 0 ADAERN O=C1N[C@]2(CCc3ccccc32)CO1 83965490 573718432 /nfs/dbraw/zinc/71/84/32/573718432.db2.gz SSGHHVKUZPBVON-LLVKDONJSA-N 0 0 189.214 1.568 10 0 ADAERN Cc1ccc2c(c1Cl)C(=O)NC2 238493830 573718459 /nfs/dbraw/zinc/71/84/59/573718459.db2.gz KCPCWNXGTWQZQN-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN OC[C@H](F)c1cccs1 108281765 573718466 /nfs/dbraw/zinc/71/84/66/573718466.db2.gz KTWMOPHJBFXCMI-YFKPBYRVSA-N 0 0 146.186 1.751 10 0 ADAERN O=c1ccoc2c(F)cccc12 75881961 573718469 /nfs/dbraw/zinc/71/84/69/573718469.db2.gz QLGMRIUNTQALNI-UHFFFAOYSA-N 0 0 164.135 1.932 10 0 ADAERN COC[C@]1(O)CCCS[C@@H]1C 86968395 573718471 /nfs/dbraw/zinc/71/84/71/573718471.db2.gz PKMNHTAFYDHQRB-HTQZYQBOSA-N 0 0 176.281 1.279 10 0 ADAERN C[C@H](O)Cc1c(O)ccc(F)c1F 258098353 573718474 /nfs/dbraw/zinc/71/84/74/573718474.db2.gz OLWZKSLWJCPHNC-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN Cc1ccc([C@@H]2CNC(=[NH2+])O2)cc1C 83966624 573718482 /nfs/dbraw/zinc/71/84/82/573718482.db2.gz JQOQFWYDDVKEBX-JTQLQIEISA-N 0 0 190.246 1.689 10 0 ADAERN Cc1ccc([C@@H]2CNC(=[NH2+])O2)c(C)c1 83966366 573718659 /nfs/dbraw/zinc/71/86/59/573718659.db2.gz JVECNZTZRUJVIO-JTQLQIEISA-N 0 0 190.246 1.689 10 0 ADAERN O=C1C[C@H]([C@@H]2CCCCCCC2=O)N1 223314101 573718516 /nfs/dbraw/zinc/71/85/16/573718516.db2.gz BBMWPLXWQGPGSH-DTWKUNHWSA-N 0 0 195.262 1.414 10 0 ADAERN C[C@@H]1CCC[C@@]2(COC(=O)N2)C1 83965469 573718518 /nfs/dbraw/zinc/71/85/18/573718518.db2.gz REQNXQIFWYQQAU-APPZFPTMSA-N 0 0 169.224 1.675 10 0 ADAERN O[C@H](Cc1ccoc1)CC1CC1 130866447 573718522 /nfs/dbraw/zinc/71/85/22/573718522.db2.gz UUBMPLGIFZEHDU-JTQLQIEISA-N 0 0 166.220 1.983 10 0 ADAERN CC(C)[C@]1(C)COC(=O)N1 83965578 573718527 /nfs/dbraw/zinc/71/85/27/573718527.db2.gz MWMMOJIYPUIEPX-ZETCQYMHSA-N 0 0 143.186 1.141 10 0 ADAERN CC[C@@H]1CC[C@]2(COC(N)=N2)C1 83965139 573718550 /nfs/dbraw/zinc/71/85/50/573718550.db2.gz JOIISVVBDQEUFA-VXNVDRBHSA-N 0 0 168.240 1.280 10 0 ADAERN COc1cccc2c1C[C@@](C)(CO)N2 258097682 573718554 /nfs/dbraw/zinc/71/85/54/573718554.db2.gz IJHDULXZTONDSQ-NSHDSACASA-N 0 0 193.246 1.414 10 0 ADAERN Cc1nc2cc(Cl)nnc2n1C 258097589 573718561 /nfs/dbraw/zinc/71/85/61/573718561.db2.gz XKQKXZHHRWMUPB-UHFFFAOYSA-N 0 0 182.614 1.325 10 0 ADAERN CC(C)[C@@H]1C[C@]2(CCO1)COC(=O)N2 83965338 573718613 /nfs/dbraw/zinc/71/86/13/573718613.db2.gz QLFLHPOUEYRCQN-WCBMZHEXSA-N 0 0 199.250 1.300 10 0 ADAERN [NH2+]=C1NC[C@]2(CCc3ccccc32)O1 83966276 573718644 /nfs/dbraw/zinc/71/86/44/573718644.db2.gz PSUVWUPIVNLHON-NSHDSACASA-N 0 0 188.230 1.173 10 0 ADAERN Oc1c[nH]c(-c2ccc(F)cc2)n1 236575869 573718654 /nfs/dbraw/zinc/71/86/54/573718654.db2.gz YUPIYYYPPOXQGR-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)OC2 238494477 573718687 /nfs/dbraw/zinc/71/86/87/573718687.db2.gz DEFZUAMHMMUJFK-VIFPVBQESA-N 0 0 150.177 1.516 10 0 ADAERN Cc1ccc2c(c1)[C@H]([C@H](C)O)CO2 258097706 573718697 /nfs/dbraw/zinc/71/86/97/573718697.db2.gz NTCDSWXADYESOQ-WPRPVWTQSA-N 0 0 178.231 1.852 10 0 ADAERN CC[C@@H]1CC[C@]2(C[NH+]=C(N)O2)C1 83966448 573718701 /nfs/dbraw/zinc/71/87/01/573718701.db2.gz GNHISSHTJLPBRC-VXNVDRBHSA-N 0 0 168.240 1.280 10 0 ADAERN OCC[C@H]1CCC[C@@H](F)C1 108281786 573718704 /nfs/dbraw/zinc/71/87/04/573718704.db2.gz SRRYPRMSZZZJQI-HTQZYQBOSA-N 0 0 146.205 1.897 10 0 ADAERN CC(=O)CN1O[C@H](C(C)(C)C)CC1=O 257857179 573718710 /nfs/dbraw/zinc/71/87/10/573718710.db2.gz NXXDYWDRYVNQOJ-QMMMGPOBSA-N 0 0 199.250 1.154 10 0 ADAERN CCOCc1ncc(N)n1C(C)C 257856399 573718738 /nfs/dbraw/zinc/71/87/38/573718738.db2.gz DJXKJVYBLKGIHZ-UHFFFAOYSA-N 0 0 183.255 1.583 10 0 ADAERN O=c1cc[nH]c(Cc2cccnc2)c1 236579891 573718740 /nfs/dbraw/zinc/71/87/40/573718740.db2.gz WFSIHCVRFPADAI-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN C1=NCc2cc3c(cc2N1)OCCO3 238028016 573718742 /nfs/dbraw/zinc/71/87/42/573718742.db2.gz DLVHSOVQICRTIB-UHFFFAOYSA-N 0 0 190.202 1.221 10 0 ADAERN [NH2+]=C1NC[C@H](c2ccccc2F)O1 83966387 573718745 /nfs/dbraw/zinc/71/87/45/573718745.db2.gz KDWOJTLNJBEZOF-MRVPVSSYSA-N 0 0 180.182 1.212 10 0 ADAERN Cc1c(F)cccc1[C@@H]1CNC(=O)C1 238494250 573718748 /nfs/dbraw/zinc/71/87/48/573718748.db2.gz HERWXNIOHKTZHW-QMMMGPOBSA-N 0 0 193.221 1.738 10 0 ADAERN Cc1cc([O-])c2ccoc(=O)c2c1 238494185 573718751 /nfs/dbraw/zinc/71/87/51/573718751.db2.gz TUCJXQLJMUXFAU-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN C[C@@]1(CO)C[C@@H]2CC[C@H]1C2 238494314 573718794 /nfs/dbraw/zinc/71/87/94/573718794.db2.gz JLHGMGQPZNWAHH-VGMNWLOBSA-N 0 0 140.226 1.805 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]2(COC(=O)N2)C1 83965274 573718767 /nfs/dbraw/zinc/71/87/67/573718767.db2.gz IESJCNPQRWQKFZ-NQMVMOMDSA-N 0 0 183.251 1.921 10 0 ADAERN C/C(=C\Cl)[C@H]1CCC(=O)O1 238027643 573718773 /nfs/dbraw/zinc/71/87/73/573718773.db2.gz JLMPNVUYNIUWBN-BMMSZFGTSA-N 0 0 160.600 1.835 10 0 ADAERN CCn1[nH]c2c(C=O)cccc2c1=O 257856895 573718776 /nfs/dbraw/zinc/71/87/76/573718776.db2.gz QDHUYUSABOFZLF-UHFFFAOYSA-N 0 0 190.202 1.162 10 0 ADAERN CC(=O)CC1=CCCCO1 108280949 573718778 /nfs/dbraw/zinc/71/87/78/573718778.db2.gz XFFYUJXFYJUEJU-UHFFFAOYSA-N 0 0 140.182 1.660 10 0 ADAERN OCC/C=C\[C@@H]1CCSC1 258097811 573718779 /nfs/dbraw/zinc/71/87/79/573718779.db2.gz GXLWCLKZZWMIEI-XKKRXVNHSA-N 0 0 158.266 1.678 10 0 ADAERN Oc1c[nH]c(Cc2ccccn2)n1 236575184 573719974 /nfs/dbraw/zinc/71/99/74/573719974.db2.gz FZMIQWYWRNTPLY-UHFFFAOYSA-N 0 0 175.191 1.101 10 0 ADAERN c1[nH]cc2cc3c(cc12)CNO3 238043817 573720395 /nfs/dbraw/zinc/72/03/95/573720395.db2.gz PNFZRTFLEGIRMF-UHFFFAOYSA-N 0 0 160.176 1.565 10 0 ADAERN O[C@@H](c1ccncc1)c1nccs1 75871004 573720397 /nfs/dbraw/zinc/72/03/97/573720397.db2.gz FWPLZANHSZAOAV-QMMMGPOBSA-N 0 0 192.243 1.620 10 0 ADAERN Oc1c[nH]c(C[C@H]2CCCCO2)n1 236574843 573720400 /nfs/dbraw/zinc/72/04/00/573720400.db2.gz HCYRPGOEQCFKGE-SSDOTTSWSA-N 0 0 182.223 1.227 10 0 ADAERN C[C@H](c1ccccc1)[C@H]1COC(=O)N1 83965564 573720361 /nfs/dbraw/zinc/72/03/61/573720361.db2.gz NKURPARMBKSIEO-PSASIEDQSA-N 0 0 191.230 1.899 10 0 ADAERN O[C@H]1CC[C@H](n2cccc2)C1 108282121 573720370 /nfs/dbraw/zinc/72/03/70/573720370.db2.gz OBBDFOJEEXHEHK-IUCAKERBSA-N 0 0 151.209 1.574 10 0 ADAERN NC1=[NH+]C[C@@H](CCc2ccccc2)O1 83966412 573719567 /nfs/dbraw/zinc/71/95/67/573719567.db2.gz BSBZBGFJNGJAGA-SNVBAGLBSA-N 0 0 190.246 1.333 10 0 ADAERN CC[C@H](O)[C@H](C)C(OC)OC 223319503 573719577 /nfs/dbraw/zinc/71/95/77/573719577.db2.gz CYMIRGRXUOHHKN-BQBZGAKWSA-N 0 0 162.229 1.012 10 0 ADAERN COc1nnc(C(C)(C)C)cc1N 257856742 573719585 /nfs/dbraw/zinc/71/95/85/573719585.db2.gz AQWBPDPLFDFTRR-UHFFFAOYSA-N 0 0 181.239 1.365 10 0 ADAERN CC[C@@]1(C2CC2)COC(=O)N1 83966244 573719593 /nfs/dbraw/zinc/71/95/93/573719593.db2.gz SFWCIINZBUKVIP-QMMMGPOBSA-N 0 0 155.197 1.285 10 0 ADAERN CC[C@@]1(C)C[C@@]2(CCO1)COC(=O)N2 83965590 573720372 /nfs/dbraw/zinc/72/03/72/573720372.db2.gz DUSWUMQSOJAGHK-UWVGGRQHSA-N 0 0 199.250 1.444 10 0 ADAERN Cc1ccc(CCO)c(C=O)c1 258103890 573720373 /nfs/dbraw/zinc/72/03/73/573720373.db2.gz YFXILGMVTQKRJL-UHFFFAOYSA-N 0 0 164.204 1.342 10 0 ADAERN COC1=C[C@@H]2CCC(=O)[C@H]12 197523958 573719597 /nfs/dbraw/zinc/71/95/97/573719597.db2.gz VBGHBHWSYXJAKH-YLWLKBPMSA-N 0 0 138.166 1.126 10 0 ADAERN Cc1oc2cc(F)ccc2c(=O)c1N 238494831 573719618 /nfs/dbraw/zinc/71/96/18/573719618.db2.gz ZGYMRMPJOCMNDI-UHFFFAOYSA-N 0 0 193.177 1.823 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1ccncc1 236564414 573719622 /nfs/dbraw/zinc/71/96/22/573719622.db2.gz KHPKZBIKDVDVKS-MNOVXSKESA-N 0 0 193.246 1.022 10 0 ADAERN Cc1cccc([C@H]2COC(=O)N2)c1 83966062 573719623 /nfs/dbraw/zinc/71/96/23/573719623.db2.gz HJZASCWKXJTGNE-SECBINFHSA-N 0 0 177.203 1.776 10 0 ADAERN COC(C)(C)C[C@@]1(C)COC(=O)N1 83965640 573719630 /nfs/dbraw/zinc/71/96/30/573719630.db2.gz ULPWMJHKLLATOO-VIFPVBQESA-N 0 0 187.239 1.300 10 0 ADAERN O=C1N[C@H](c2cccc(F)c2F)CO1 83965341 573719635 /nfs/dbraw/zinc/71/96/35/573719635.db2.gz VRIRHLGWWSGNHC-ZETCQYMHSA-N 0 0 199.156 1.746 10 0 ADAERN O[C@@H](c1nc[nH]n1)c1ccccc1F 75872748 573719637 /nfs/dbraw/zinc/71/96/37/573719637.db2.gz ITQXVKDKXTXMFJ-MRVPVSSYSA-N 0 0 193.181 1.026 10 0 ADAERN C[C@H]1CCc2nn(C)c(N)c21 108282159 573719652 /nfs/dbraw/zinc/71/96/52/573719652.db2.gz XYCRIRXLQPINFB-YFKPBYRVSA-N 0 0 151.213 1.052 10 0 ADAERN Cc1cc([C@@H]2CNC(=[NH2+])O2)ccc1F 83966304 573719668 /nfs/dbraw/zinc/71/96/68/573719668.db2.gz WBCUYGBMXXVOGS-VIFPVBQESA-N 0 0 194.209 1.520 10 0 ADAERN CCCc1oc(NC)nc1C 258512568 573719674 /nfs/dbraw/zinc/71/96/74/573719674.db2.gz FOEMRYDRKMCGSV-UHFFFAOYSA-N 0 0 154.213 1.977 10 0 ADAERN CCn1nc(N)cc1CSC 257856666 573719680 /nfs/dbraw/zinc/71/96/80/573719680.db2.gz AXFFPIIYBGYONO-UHFFFAOYSA-N 0 0 171.269 1.348 10 0 ADAERN CCC[C@@H]1C[C@]2(CCO1)COC(=O)N2 83966121 573720381 /nfs/dbraw/zinc/72/03/81/573720381.db2.gz OBJISOSLXQUERV-PSASIEDQSA-N 0 0 199.250 1.444 10 0 ADAERN C[C@H]1NCC(c2ccccc2)=NO1 238494501 573719713 /nfs/dbraw/zinc/71/97/13/573719713.db2.gz YTMIYKDGXHQWMW-QMMMGPOBSA-N 0 0 176.219 1.357 10 0 ADAERN O[C@@H]1CCO[C@H]1Cc1ccccc1 223301110 573719724 /nfs/dbraw/zinc/71/97/24/573719724.db2.gz YJXMOZYTZIZNQG-MNOVXSKESA-N 0 0 178.231 1.379 10 0 ADAERN CC[C@H](C)[C@]1(C)C[NH+]=C(N)O1 83966338 573719741 /nfs/dbraw/zinc/71/97/41/573719741.db2.gz OFGSGKMZYONYRE-XPUUQOCRSA-N 0 0 156.229 1.136 10 0 ADAERN O[C@H](C1CC1)[C@@H]1CSCCS1 86983211 573720338 /nfs/dbraw/zinc/72/03/38/573720338.db2.gz OHWRSANITSUJRW-JGVFFNPUSA-N 0 0 190.333 1.606 10 0 ADAERN O=C([O-])c1cnoc1C[NH2+]C1CCC1 257856597 573719745 /nfs/dbraw/zinc/71/97/45/573719745.db2.gz AUPIJNVOBZQIOO-UHFFFAOYSA-N 0 0 196.206 1.015 10 0 ADAERN O=C1N[C@H](c2cccc(F)c2)CO1 83966165 573719754 /nfs/dbraw/zinc/71/97/54/573719754.db2.gz HQOGIULIFRCLQK-QMMMGPOBSA-N 0 0 181.166 1.607 10 0 ADAERN Cc1ccc2c(c1N)C(=O)OC2 238494333 573719756 /nfs/dbraw/zinc/71/97/56/573719756.db2.gz VVCJZZZCHJNQTG-UHFFFAOYSA-N 0 0 163.176 1.248 10 0 ADAERN C[C@@H]1C=CC(C2=NC(C)(C)CO2)=CN1 238494406 573719768 /nfs/dbraw/zinc/71/97/68/573719768.db2.gz IOWTYANVKYJIMP-MRVPVSSYSA-N 0 0 192.262 1.626 10 0 ADAERN Nc1nc(CCC(F)(F)F)no1 86979139 573720384 /nfs/dbraw/zinc/72/03/84/573720384.db2.gz HGFHJNHNBKTCBJ-UHFFFAOYSA-N 0 0 181.117 1.147 10 0 ADAERN CC(=O)C[C@@H]1OC(C)(C)O[C@@H]1C 238493819 573719773 /nfs/dbraw/zinc/71/97/73/573719773.db2.gz TYQWUGFHLSGZNX-SFYZADRCSA-N 0 0 172.224 1.506 10 0 ADAERN CC[C@H]1CC[C@]2(C[NH+]=C(N)O2)C1 83966452 573719823 /nfs/dbraw/zinc/71/98/23/573719823.db2.gz GNHISSHTJLPBRC-IONNQARKSA-N 0 0 168.240 1.280 10 0 ADAERN C[C@H]1C[C@@H](C)C(=O)CC[C@@H]1O 238493998 573719833 /nfs/dbraw/zinc/71/98/33/573719833.db2.gz NYOXRAPWBBLTEQ-RNJXMRFFSA-N 0 0 156.225 1.373 10 0 ADAERN c1cc2c(cc1C1COC1)OCCO2 238027788 573719835 /nfs/dbraw/zinc/71/98/35/573719835.db2.gz KONKCZXWVYVNRS-UHFFFAOYSA-N 0 0 192.214 1.572 10 0 ADAERN Nc1cc(COCC(F)F)ccn1 130898008 573719839 /nfs/dbraw/zinc/71/98/39/573719839.db2.gz YDXPCURMTWVPMK-UHFFFAOYSA-N 0 0 188.177 1.446 10 0 ADAERN O[C@@H]1CCC[C@@H]1n1cccc1 108282136 573719844 /nfs/dbraw/zinc/71/98/44/573719844.db2.gz FVDGYDIZGXBJSW-DTWKUNHWSA-N 0 0 151.209 1.574 10 0 ADAERN O=C1C[C@H]([C@H]2CCCCCCC2=O)N1 223314157 573719852 /nfs/dbraw/zinc/71/98/52/573719852.db2.gz BBMWPLXWQGPGSH-RKDXNWHRSA-N 0 0 195.262 1.414 10 0 ADAERN C[C@@H]1C=CC=C(c2ccccn2)N1 238493943 573719853 /nfs/dbraw/zinc/71/98/53/573719853.db2.gz MHEFSTWTTHRBDH-SECBINFHSA-N 0 0 172.231 1.970 10 0 ADAERN Cc1ccsc1[C@@H]1COC(=O)N1 83966088 573719855 /nfs/dbraw/zinc/71/98/55/573719855.db2.gz OEBFGYWAZUNTKG-LURJTMIESA-N 0 0 183.232 1.837 10 0 ADAERN O=C1CSC[C@H](C2CCCCC2)N1 257857171 573719860 /nfs/dbraw/zinc/71/98/60/573719860.db2.gz NXMACDBIXNGJNL-SECBINFHSA-N 0 0 199.319 1.798 10 0 ADAERN Cc1cc(O)ccc1C(C)(C)CO 257856080 573719866 /nfs/dbraw/zinc/71/98/66/573719866.db2.gz TYECAJMJQDEERG-UHFFFAOYSA-N 0 0 180.247 1.971 10 0 ADAERN O=C(OCCCO)[C@@H]1CC[C@@H](F)C1 393555633 573719867 /nfs/dbraw/zinc/71/98/67/573719867.db2.gz NEKXJIQMRAUULY-HTQZYQBOSA-N 0 0 190.214 1.050 10 0 ADAERN Nc1occc1C(=O)NC1CCCC1 257855587 573719874 /nfs/dbraw/zinc/71/98/74/573719874.db2.gz ASIYRIMHPAMMSG-UHFFFAOYSA-N 0 0 194.234 1.534 10 0 ADAERN C[C@]1(c2ccccc2)CNC(=O)OC1 257856833 573719890 /nfs/dbraw/zinc/71/98/90/573719890.db2.gz QBPOZORVUJZBMF-NSHDSACASA-N 0 0 191.230 1.684 10 0 ADAERN CC[C@@]1(C)C[C@]2(CCO1)COC(=O)N2 83965594 573719899 /nfs/dbraw/zinc/71/98/99/573719899.db2.gz DUSWUMQSOJAGHK-VHSXEESVSA-N 0 0 199.250 1.444 10 0 ADAERN Cc1ccccc1[C@H](O)c1cc[nH]n1 238494970 573719905 /nfs/dbraw/zinc/71/99/05/573719905.db2.gz ANMONZCJDPPZEI-NSHDSACASA-N 0 0 188.230 1.800 10 0 ADAERN C[C@@H]1CC[C@]2(COC(=O)N2)C1 83965841 573719909 /nfs/dbraw/zinc/71/99/09/573719909.db2.gz HZVZTVWSUZXVSZ-HTRCEHHLSA-N 0 0 155.197 1.285 10 0 ADAERN CC(C)=CC(C(N)=O)=C(C)C 197530996 573719913 /nfs/dbraw/zinc/71/99/13/573719913.db2.gz DCVBLPFIXUOBBY-UHFFFAOYSA-N 0 0 153.225 1.774 10 0 ADAERN NOCc1ccc2ocnc2c1 258103869 573719918 /nfs/dbraw/zinc/71/99/18/573719918.db2.gz YFGSAHLLOSVBHA-UHFFFAOYSA-N 0 0 164.164 1.218 10 0 ADAERN Cc1ccc(Cc2nnco2)cc1 238494629 573719926 /nfs/dbraw/zinc/71/99/26/573719926.db2.gz ZNQGRVGQDZEZBJ-UHFFFAOYSA-N 0 0 174.203 1.969 10 0 ADAERN OC[C@H](F)c1cccnc1 108281086 573719927 /nfs/dbraw/zinc/71/99/27/573719927.db2.gz BKEGLETYRHIOOV-ZETCQYMHSA-N 0 0 141.145 1.085 10 0 ADAERN c1ccc([C@@]2(c3ncc[nH]3)CO2)cc1 75870193 573719928 /nfs/dbraw/zinc/71/99/28/573719928.db2.gz JBDSKWDABJZVBU-LLVKDONJSA-N 0 0 186.214 1.684 10 0 ADAERN OC[C@H](F)c1ccncc1 108281076 573719960 /nfs/dbraw/zinc/71/99/60/573719960.db2.gz MAZNQBIWSGSUJZ-ZETCQYMHSA-N 0 0 141.145 1.085 10 0 ADAERN CC1(C)CCSC[C@@H]1O 86972402 573719961 /nfs/dbraw/zinc/71/99/61/573719961.db2.gz PHFALDPYGUIERW-LURJTMIESA-N 0 0 146.255 1.510 10 0 ADAERN C[C@@](O)(CO)CCc1ccccc1F 257857147 573719968 /nfs/dbraw/zinc/71/99/68/573719968.db2.gz NWEFMPJPMFUBCL-NSHDSACASA-N 0 0 198.237 1.502 10 0 ADAERN CC[C@H]1C[C@@]2(CCO1)COC(=O)N2 83965325 573719970 /nfs/dbraw/zinc/71/99/70/573719970.db2.gz UNSWOKSARRCWOL-CBAPKCEASA-N 0 0 185.223 1.054 10 0 ADAERN N[C@@H](F)C1=CCCC1 257856083 573720002 /nfs/dbraw/zinc/72/00/02/573720002.db2.gz TYHNJLDWXMKQEK-ZCFIWIBFSA-N 0 0 115.151 1.351 10 0 ADAERN COC1=C[C@@H]2CCC(=O)[C@@H]12 197523978 573720005 /nfs/dbraw/zinc/72/00/05/573720005.db2.gz VBGHBHWSYXJAKH-XNCJUZBTSA-N 0 0 138.166 1.126 10 0 ADAERN OC[C@@]1(F)CCCSC1 108282050 573720008 /nfs/dbraw/zinc/72/00/08/573720008.db2.gz QVTLDQDDQQOBAQ-LURJTMIESA-N 0 0 150.218 1.214 10 0 ADAERN Cc1ccccc1[C@H]1COC(=O)N1 83966175 573720032 /nfs/dbraw/zinc/72/00/32/573720032.db2.gz VUNQMYFYTXQKEU-SECBINFHSA-N 0 0 177.203 1.776 10 0 ADAERN C[C@@H]1CC(CC(N)=O)=C[C@H](C)C1 238494465 573720733 /nfs/dbraw/zinc/72/07/33/573720733.db2.gz QZMFAQSRYPKABI-SFYZADRCSA-N 0 0 167.252 1.854 10 0 ADAERN C[C@@]1(c2ccccn2)COC(=O)N1 83965907 573720061 /nfs/dbraw/zinc/72/00/61/573720061.db2.gz LJFLTXXQCPOWJZ-VIFPVBQESA-N 0 0 178.191 1.037 10 0 ADAERN O=c1ccoc2cccc(F)c12 75881974 573720068 /nfs/dbraw/zinc/72/00/68/573720068.db2.gz LMRAZGQPHHBGHI-UHFFFAOYSA-N 0 0 164.135 1.932 10 0 ADAERN CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)O2)C1 83966570 573720073 /nfs/dbraw/zinc/72/00/73/573720073.db2.gz GTZAFHWUMVINSI-SCZZXKLOSA-N 0 0 182.267 1.670 10 0 ADAERN O[C@H](c1ccco1)C1(O)CCCC1 236579653 573720077 /nfs/dbraw/zinc/72/00/77/573720077.db2.gz ZISFCBKLEQIQRX-SECBINFHSA-N 0 0 182.219 1.618 10 0 ADAERN CCCC[C@@H]1OCCCC1=O 197534095 573720087 /nfs/dbraw/zinc/72/00/87/573720087.db2.gz DHEQSFZNJBPSOA-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN C[C@@H]1SCCC[C@@]12CNC(=O)C2 86969610 573720088 /nfs/dbraw/zinc/72/00/88/573720088.db2.gz HFCKKCFVOISJOQ-IONNQARKSA-N 0 0 185.292 1.408 10 0 ADAERN Cc1cc([C@@H]2COC(=O)N2)ccc1F 83965146 573720096 /nfs/dbraw/zinc/72/00/96/573720096.db2.gz BUZSKHGDTKUYNI-VIFPVBQESA-N 0 0 195.193 1.915 10 0 ADAERN C[C@H]1[NH2+]C2(CCCCC2)NC1=S 238494165 573720103 /nfs/dbraw/zinc/72/01/03/573720103.db2.gz PBEAEXQKOAVBOD-SSDOTTSWSA-N 0 0 184.308 1.556 10 0 ADAERN Cc1cc([C@H]2CNC(=[NH2+])O2)ccc1F 83966306 573720132 /nfs/dbraw/zinc/72/01/32/573720132.db2.gz WBCUYGBMXXVOGS-SECBINFHSA-N 0 0 194.209 1.520 10 0 ADAERN CC(C)[NH2+][C@H]1CCCC[C@H]1C(=O)[O-] 83965484 573720141 /nfs/dbraw/zinc/72/01/41/573720141.db2.gz KXJMYEQCBNQKJG-BDAKNGLRSA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@@H]1C[C@@]2(CCO1)COC(=O)N2 83966118 573720149 /nfs/dbraw/zinc/72/01/49/573720149.db2.gz OBJISOSLXQUERV-SCZZXKLOSA-N 0 0 199.250 1.444 10 0 ADAERN Cc1cccc([C@H](F)CO)c1 108282668 573720155 /nfs/dbraw/zinc/72/01/55/573720155.db2.gz NFTRJJLYRLAROC-SECBINFHSA-N 0 0 154.184 1.998 10 0 ADAERN C[C@H]1CCCC[C@]12COC(=O)N2 83965188 573720741 /nfs/dbraw/zinc/72/07/41/573720741.db2.gz RTZOYEYPOUDORN-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN Oc1c[nH]c(Cc2cccc(F)c2)n1 236575120 573720178 /nfs/dbraw/zinc/72/01/78/573720178.db2.gz OQRTUWCSCKUXMQ-UHFFFAOYSA-N 0 0 192.193 1.845 10 0 ADAERN Cc1cc(=O)c2c(N)cccc2[nH]1 238493553 573720205 /nfs/dbraw/zinc/72/02/05/573720205.db2.gz HZTKXBVTNMOGMB-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN CC(C)[C@H](O)[C@H]1CSCCS1 86982534 573720208 /nfs/dbraw/zinc/72/02/08/573720208.db2.gz KBWFNOJDZRXZIZ-SFYZADRCSA-N 0 0 192.349 1.852 10 0 ADAERN COC1=C[C@H]2CCC(=O)[C@@H]12 197523968 573720211 /nfs/dbraw/zinc/72/02/11/573720211.db2.gz VBGHBHWSYXJAKH-XRGYYRRGSA-N 0 0 138.166 1.126 10 0 ADAERN C[C@H]1C[C@]2(CC[C@H]1C)C[NH+]=C(N)O2 83966328 573720218 /nfs/dbraw/zinc/72/02/18/573720218.db2.gz VCFXNYBNXDBANM-KHQFGBGNSA-N 0 0 182.267 1.526 10 0 ADAERN Oc1c[nH]c(Cc2cccs2)n1 236575224 573720220 /nfs/dbraw/zinc/72/02/20/573720220.db2.gz PQKKMTWVHPRMHP-UHFFFAOYSA-N 0 0 180.232 1.768 10 0 ADAERN CC[N@@H+]([C@H]1CCOC1)[C@H](C)C(C)=O 393555561 573720231 /nfs/dbraw/zinc/72/02/31/573720231.db2.gz MMAJHOGHXMCQJF-SCZZXKLOSA-N 0 0 185.267 1.075 10 0 ADAERN CCCCC[C@H]1C[NH+]=C(N)O1 83966253 573720236 /nfs/dbraw/zinc/72/02/36/573720236.db2.gz IFOJDPYPEYZVEL-ZETCQYMHSA-N 0 0 156.229 1.280 10 0 ADAERN Cc1ccc([C@@H]2COC(=O)N2)s1 83965828 573720259 /nfs/dbraw/zinc/72/02/59/573720259.db2.gz MLZHWDGHCGAPBZ-LURJTMIESA-N 0 0 183.232 1.837 10 0 ADAERN CCCc1cnncc1N 257856827 573720269 /nfs/dbraw/zinc/72/02/69/573720269.db2.gz AUAUGYQJARYJHI-UHFFFAOYSA-N 0 0 137.186 1.011 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@@]([NH3+])(C(=O)[O-])C1 238494985 573720270 /nfs/dbraw/zinc/72/02/70/573720270.db2.gz DIEAEQSZOILNRE-QMSLJYSESA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]1CC[C@@]2(COC(=O)N2)C1 83965843 573720275 /nfs/dbraw/zinc/72/02/75/573720275.db2.gz HZVZTVWSUZXVSZ-SVRRBLITSA-N 0 0 155.197 1.285 10 0 ADAERN Nc1cnc(Oc2cccc(O)c2)o1 257856387 573720286 /nfs/dbraw/zinc/72/02/86/573720286.db2.gz DJCVXVUMBJKGTI-UHFFFAOYSA-N 0 0 192.174 1.755 10 0 ADAERN CC(=O)N[C@H]1C[C@@H](C)C[C@@H](C)C1 238494956 573720288 /nfs/dbraw/zinc/72/02/88/573720288.db2.gz SFOGZTOGLKVNOY-DIYOJNKTSA-N 0 0 169.268 1.947 10 0 ADAERN OCC[C@@H]1CCC[C@@H](F)C1 108281788 573720328 /nfs/dbraw/zinc/72/03/28/573720328.db2.gz SRRYPRMSZZZJQI-JGVFFNPUSA-N 0 0 146.205 1.897 10 0 ADAERN C[C@@]1(CO)O[C@@H]1C1CCCCC1 238494860 573720303 /nfs/dbraw/zinc/72/03/03/573720303.db2.gz PSIATZHTRVZSLW-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1ccn2c(=O)[nH]cc2c1 258512622 573720329 /nfs/dbraw/zinc/72/03/29/573720329.db2.gz LMDFZKUGSFNFGB-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN CC(C)[C@@]1(C)COC(=O)N1 83965579 573720332 /nfs/dbraw/zinc/72/03/32/573720332.db2.gz MWMMOJIYPUIEPX-SSDOTTSWSA-N 0 0 143.186 1.141 10 0 ADAERN COCC(=O)[C@@H]1CSCCS1 86982444 573720405 /nfs/dbraw/zinc/72/04/05/573720405.db2.gz NZLSXEDJYXGSMI-ZETCQYMHSA-N 0 0 192.305 1.051 10 0 ADAERN Nc1cccc(-c2c[nH]c(N)c2)c1 258103985 573720413 /nfs/dbraw/zinc/72/04/13/573720413.db2.gz KUGMPHPULCQOCK-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN Cc1cc(F)cc(CCON)c1 258106000 573720418 /nfs/dbraw/zinc/72/04/18/573720418.db2.gz YKRHDJSNHJSIKS-UHFFFAOYSA-N 0 0 169.199 1.567 10 0 ADAERN Cc1cc(F)ccc1[C@@H]1CNC(=[NH2+])O1 83966488 573720420 /nfs/dbraw/zinc/72/04/20/573720420.db2.gz LEMYJUVGXUJVKJ-VIFPVBQESA-N 0 0 194.209 1.520 10 0 ADAERN CC(C)[C@@H](O)[C@H]1CSCCS1 86982537 573720427 /nfs/dbraw/zinc/72/04/27/573720427.db2.gz KBWFNOJDZRXZIZ-HTQZYQBOSA-N 0 0 192.349 1.852 10 0 ADAERN CC[C@H]1CCc2noc(N)c21 108282203 573720430 /nfs/dbraw/zinc/72/04/30/573720430.db2.gz GBHCDGZYQFTUAP-YFKPBYRVSA-N 0 0 152.197 1.697 10 0 ADAERN [NH2+]=C1NC[C@@H](c2ccccc2F)O1 83966385 573720433 /nfs/dbraw/zinc/72/04/33/573720433.db2.gz KDWOJTLNJBEZOF-QMMMGPOBSA-N 0 0 180.182 1.212 10 0 ADAERN O=C1N[C@H](c2ccsc2)CO1 83965394 573720446 /nfs/dbraw/zinc/72/04/46/573720446.db2.gz WFZDKMHRWBZEMD-LURJTMIESA-N 0 0 169.205 1.529 10 0 ADAERN C[C@@H](O)CCC(=O)NCc1ccoc1 130886149 573720448 /nfs/dbraw/zinc/72/04/48/573720448.db2.gz RHWSVYFGKKLFOS-MRVPVSSYSA-N 0 0 197.234 1.057 10 0 ADAERN Cc1cc(C(F)(F)F)c(N)cn1 238494668 573720468 /nfs/dbraw/zinc/72/04/68/573720468.db2.gz BESDIXREMKNQBU-UHFFFAOYSA-N 0 0 176.141 1.991 10 0 ADAERN CC[C@@H](C)CS[C@@H]1COC[C@H]1O 687965272 573720472 /nfs/dbraw/zinc/72/04/72/573720472.db2.gz FXURCSPAMOLMLE-IWSPIJDZSA-N 0 0 190.308 1.525 10 0 ADAERN NC1=[NH+]C[C@H](CCc2ccccc2)O1 83966413 573720480 /nfs/dbraw/zinc/72/04/80/573720480.db2.gz BSBZBGFJNGJAGA-JTQLQIEISA-N 0 0 190.246 1.333 10 0 ADAERN CC(C)[C@H]1C[C@]2(CCO1)COC(=O)N2 83965339 573720494 /nfs/dbraw/zinc/72/04/94/573720494.db2.gz QLFLHPOUEYRCQN-PSASIEDQSA-N 0 0 199.250 1.300 10 0 ADAERN CC[C@H]1CCC[C@@]2(C[NH+]=C(N)O2)C1 83966573 573720502 /nfs/dbraw/zinc/72/05/02/573720502.db2.gz GTZAFHWUMVINSI-WPRPVWTQSA-N 0 0 182.267 1.670 10 0 ADAERN O[C@@H](C1CC1)[C@H]1CSCCS1 86983213 573720510 /nfs/dbraw/zinc/72/05/10/573720510.db2.gz OHWRSANITSUJRW-SFYZADRCSA-N 0 0 190.333 1.606 10 0 ADAERN C[C@H](CO)c1cccc2c1NCC2 257855695 573720525 /nfs/dbraw/zinc/72/05/25/573720525.db2.gz FTAXKIQGUOXHNF-MRVPVSSYSA-N 0 0 177.247 1.750 10 0 ADAERN O[C@@H]1CC[C@@H](n2cccc2)C1 108282124 573720555 /nfs/dbraw/zinc/72/05/55/573720555.db2.gz OBBDFOJEEXHEHK-RKDXNWHRSA-N 0 0 151.209 1.574 10 0 ADAERN CC(C)[C@@H]1C[C@@]2(CCO1)COC(=O)N2 83965333 573720566 /nfs/dbraw/zinc/72/05/66/573720566.db2.gz QLFLHPOUEYRCQN-WPRPVWTQSA-N 0 0 199.250 1.300 10 0 ADAERN C[C@H](O)[C@H]1CSCCS1 86982656 573720573 /nfs/dbraw/zinc/72/05/73/573720573.db2.gz LOYZNFLPSOBJPM-NTSWFWBYSA-N 0 0 164.295 1.216 10 0 ADAERN C[NH2+]Cc1nnc(CC(C)C)s1 83965517 573720583 /nfs/dbraw/zinc/72/05/83/573720583.db2.gz IDTVVFJFGABJRD-UHFFFAOYSA-N 0 0 185.296 1.456 10 0 ADAERN CNOc1cccc(C)c1 257856759 573720586 /nfs/dbraw/zinc/72/05/86/573720586.db2.gz ARVDSICZQXVJKL-UHFFFAOYSA-N 0 0 137.182 1.508 10 0 ADAERN O=c1ccnc(CCC(F)(F)F)[nH]1 86979270 573720591 /nfs/dbraw/zinc/72/05/91/573720591.db2.gz OMDLKJYZMDSMII-UHFFFAOYSA-N 0 0 192.140 1.265 10 0 ADAERN COCCCCNOC(C)(C)C 130877883 573720606 /nfs/dbraw/zinc/72/06/06/573720606.db2.gz JFLKWPBSPWYMGG-UHFFFAOYSA-N 0 0 175.272 1.733 10 0 ADAERN Cc1ccc2c(c1)[C@H]([NH3+])COC2 238494416 573720766 /nfs/dbraw/zinc/72/07/66/573720766.db2.gz FSEKCHJGTOEKDY-SNVBAGLBSA-N 0 0 163.220 1.525 10 0 ADAERN OCCc1cc(F)c(O)c(F)c1 258105868 573720768 /nfs/dbraw/zinc/72/07/68/573720768.db2.gz YILZDRFAXYQTCA-UHFFFAOYSA-N 0 0 174.146 1.205 10 0 ADAERN Cc1ccc([C@@]2(C)COC(=O)N2)cc1 83965496 573720647 /nfs/dbraw/zinc/72/06/47/573720647.db2.gz XQCHJCMIOUBLHY-LLVKDONJSA-N 0 0 191.230 1.950 10 0 ADAERN O=C1CC[C@H]2CCCC[C@]1(O)C2 223309238 573720649 /nfs/dbraw/zinc/72/06/49/573720649.db2.gz ZKVVIICUFNAOQT-SCZZXKLOSA-N 0 0 168.236 1.661 10 0 ADAERN Cc1ccccc1[C@@H](F)CO 108282675 573720719 /nfs/dbraw/zinc/72/07/19/573720719.db2.gz VIPBJSXQVXIZBD-VIFPVBQESA-N 0 0 154.184 1.998 10 0 ADAERN OC[C@@H](F)c1cccnc1 108281083 573720663 /nfs/dbraw/zinc/72/06/63/573720663.db2.gz BKEGLETYRHIOOV-SSDOTTSWSA-N 0 0 141.145 1.085 10 0 ADAERN CC(C)C[C@@]1(C)COC(=O)N1 83965488 573720674 /nfs/dbraw/zinc/72/06/74/573720674.db2.gz KCWADAQCAGADDX-QMMMGPOBSA-N 0 0 157.213 1.531 10 0 ADAERN Cc1ccc(F)cc1OCC(N)=S 75881172 573720680 /nfs/dbraw/zinc/72/06/80/573720680.db2.gz FNCZVALNVKMCFP-UHFFFAOYSA-N 0 0 199.250 1.799 10 0 ADAERN O=C1N[C@@H](c2cccc(F)c2)CO1 83966167 573720682 /nfs/dbraw/zinc/72/06/82/573720682.db2.gz HQOGIULIFRCLQK-MRVPVSSYSA-N 0 0 181.166 1.607 10 0 ADAERN O=Cc1nc(CCC(F)(F)F)no1 86981064 573720693 /nfs/dbraw/zinc/72/06/93/573720693.db2.gz WCZOQWPBDPCEKC-UHFFFAOYSA-N 0 0 194.112 1.377 10 0 ADAERN C[C@@H](O)c1ccc(-n2cccn2)nc1 124953110 573720698 /nfs/dbraw/zinc/72/06/98/573720698.db2.gz FVDUTKDLDNGWCO-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN Oc1c[nH]c(-c2ccc(F)cn2)n1 236575902 573720701 /nfs/dbraw/zinc/72/07/01/573720701.db2.gz RUYMOUHTHUIXFS-UHFFFAOYSA-N 0 0 179.154 1.316 10 0 ADAERN O=C1NC[C@H]([C@@H]2CCCSC2)O1 258099411 573720711 /nfs/dbraw/zinc/72/07/11/573720711.db2.gz BTWSIIBWTZUWHY-RNFRBKRXSA-N 0 0 187.264 1.238 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12C[NH+]=C(N)O2 83966551 573720728 /nfs/dbraw/zinc/72/07/28/573720728.db2.gz CUOXGKRUHVWKFT-KHQFGBGNSA-N 0 0 182.267 1.526 10 0 ADAERN O=C1N[C@@H]([C@@H]2CC=CCC2)CO1 83966206 573721581 /nfs/dbraw/zinc/72/15/81/573721581.db2.gz ICTVLWJSXCVPDQ-HTQZYQBOSA-N 0 0 167.208 1.451 10 0 ADAERN C[C@@H]1CCCC[C@]12COC(=O)N2 83965184 573721587 /nfs/dbraw/zinc/72/15/87/573721587.db2.gz RTZOYEYPOUDORN-APPZFPTMSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H](CO)c1cc(F)ccc1O 258106053 573721598 /nfs/dbraw/zinc/72/15/98/573721598.db2.gz YMJIYULURDAVBU-ZCFIWIBFSA-N 0 0 170.183 1.627 10 0 ADAERN CCC[C@@]1(C)COC(=O)N1 83965602 573721757 /nfs/dbraw/zinc/72/17/57/573721757.db2.gz JDZQUXVLBXNFIP-ZETCQYMHSA-N 0 0 143.186 1.285 10 0 ADAERN OCCc1ncc2c(n1)CCCCC2 257855970 573721614 /nfs/dbraw/zinc/72/16/14/573721614.db2.gz QADRONLPVPXLEL-UHFFFAOYSA-N 0 0 192.262 1.280 10 0 ADAERN Nc1n[nH]cc1-c1ccccc1O 257856173 573721759 /nfs/dbraw/zinc/72/17/59/573721759.db2.gz UCGLJQWPPSFCRF-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN C/C=C/[C@@H]1C[C@@H](C(C)=O)[C@@H](C)O1 238041922 573721761 /nfs/dbraw/zinc/72/17/61/573721761.db2.gz ULKJYHMHCKECRF-TXMZMQIZSA-N 0 0 168.236 1.945 10 0 ADAERN COc1nc2ccsc2cc1N 258106038 573723166 /nfs/dbraw/zinc/72/31/66/573723166.db2.gz YLSWYJWTJHIGCQ-UHFFFAOYSA-N 0 0 180.232 1.887 10 0 ADAERN COC(C)(C)C[C@]1(C)COC(=O)N1 83965641 573721513 /nfs/dbraw/zinc/72/15/13/573721513.db2.gz ULPWMJHKLLATOO-SECBINFHSA-N 0 0 187.239 1.300 10 0 ADAERN Nc1c(-c2ccco2)cn[nH]c1=O 258104273 573721522 /nfs/dbraw/zinc/72/15/22/573721522.db2.gz YIDJSSLYQVPJJP-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN Oc1ccc2c(c1)NC[C@H]2F 258512684 573721528 /nfs/dbraw/zinc/72/15/28/573721528.db2.gz LNVKOUMRXJPCDD-SSDOTTSWSA-N 0 0 153.156 1.828 10 0 ADAERN O=C1N[C@H](c2cccc(O)c2)CO1 83966178 573721529 /nfs/dbraw/zinc/72/15/29/573721529.db2.gz UJYIAQXZSXGZKQ-QMMMGPOBSA-N 0 0 179.175 1.173 10 0 ADAERN COCc1cc2cccc(N)c2n1C 257856371 573721532 /nfs/dbraw/zinc/72/15/32/573721532.db2.gz DIHNVVULGMMBOU-UHFFFAOYSA-N 0 0 190.246 1.907 10 0 ADAERN CCCCC[C@H]1COC(=O)N1 83965383 573721576 /nfs/dbraw/zinc/72/15/76/573721576.db2.gz IENMMBDUNLHWKX-ZETCQYMHSA-N 0 0 157.213 1.675 10 0 ADAERN CC[C@H]1CCC[C@]2(C[NH+]=C(N)O2)C1 83966567 573721554 /nfs/dbraw/zinc/72/15/54/573721554.db2.gz GTZAFHWUMVINSI-WCBMZHEXSA-N 0 0 182.267 1.670 10 0 ADAERN C[C@@H](O)c1coc([C@H]2CCCCN2)n1 258104009 573721557 /nfs/dbraw/zinc/72/15/57/573721557.db2.gz NQPOZIPOQZNRTG-HTQZYQBOSA-N 0 0 196.250 1.543 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)NCC2 257856929 573721559 /nfs/dbraw/zinc/72/15/59/573721559.db2.gz FXUMQSAXRBSQEU-QMMMGPOBSA-N 0 0 177.247 1.750 10 0 ADAERN CCC1(CC)COC(=O)N1 83966047 573721565 /nfs/dbraw/zinc/72/15/65/573721565.db2.gz SOUYHQNDZKGIQU-UHFFFAOYSA-N 0 0 143.186 1.285 10 0 ADAERN O=C1NC[C@@H]([C@H]2CCCSC2)O1 258099408 573721568 /nfs/dbraw/zinc/72/15/68/573721568.db2.gz BTWSIIBWTZUWHY-BQBZGAKWSA-N 0 0 187.264 1.238 10 0 ADAERN CCc1c(N)cccc1C(=O)OC 143025226 573721615 /nfs/dbraw/zinc/72/16/15/573721615.db2.gz SAIMDJZGXALYRS-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN COc1ccc(CNO)c(C)c1C 258103827 573721657 /nfs/dbraw/zinc/72/16/57/573721657.db2.gz YEARFZMKKUFJDC-UHFFFAOYSA-N 0 0 181.235 1.791 10 0 ADAERN CC(C)CC[C@H](O)c1ncnn1C 78577286 573723210 /nfs/dbraw/zinc/72/32/10/573723210.db2.gz JLHOUJHJEHYFOB-QMMMGPOBSA-N 0 0 183.255 1.285 10 0 ADAERN Nc1ccc2c(n1)SCC2 108282320 573721675 /nfs/dbraw/zinc/72/16/75/573721675.db2.gz YPCFIQXWYJRUNZ-UHFFFAOYSA-N 0 0 152.222 1.312 10 0 ADAERN CC[C@H](O)[C@@H]1CSCCS1 86982979 573721678 /nfs/dbraw/zinc/72/16/78/573721678.db2.gz FVFOWBPJOACOOF-BQBZGAKWSA-N 0 0 178.322 1.606 10 0 ADAERN COC(=N)CCC(F)(F)F 86980647 573721684 /nfs/dbraw/zinc/72/16/84/573721684.db2.gz WDWAXBSSMIYKIY-UHFFFAOYSA-N 0 0 155.119 1.953 10 0 ADAERN Nc1ccc2c(CO)csc2c1 258104947 573721694 /nfs/dbraw/zinc/72/16/94/573721694.db2.gz SJUMBYUUZWRTQK-UHFFFAOYSA-N 0 0 179.244 1.976 10 0 ADAERN Cc1[nH]c(=O)c(C)cc1Cl 238496044 573721711 /nfs/dbraw/zinc/72/17/11/573721711.db2.gz OCKQNQLNIKVTMR-UHFFFAOYSA-N 0 0 157.600 1.645 10 0 ADAERN O=C1N[C@H]([C@H]2CC=CCC2)CO1 83966204 573721720 /nfs/dbraw/zinc/72/17/20/573721720.db2.gz ICTVLWJSXCVPDQ-YUMQZZPRSA-N 0 0 167.208 1.451 10 0 ADAERN C/C=C/[C@@H]1OC(C)(C)O[C@]1(C)CO 238044047 573721722 /nfs/dbraw/zinc/72/17/22/573721722.db2.gz RCBZXXNEQLDJHU-DBYMRJOZSA-N 0 0 186.251 1.465 10 0 ADAERN C[C@@]1(c2cccnc2)COC(=O)N1 83965626 573721727 /nfs/dbraw/zinc/72/17/27/573721727.db2.gz ZAUSIPDNBAIGIN-VIFPVBQESA-N 0 0 178.191 1.037 10 0 ADAERN C[C@@]1(Cl)CCCC(=O)[C@H]1O 238496243 573721730 /nfs/dbraw/zinc/72/17/30/573721730.db2.gz XRMXIWFHOXAQHZ-RNFRBKRXSA-N 0 0 162.616 1.098 10 0 ADAERN Cc1cc(C)c2[nH]c(=O)ccc2n1 238495044 573721732 /nfs/dbraw/zinc/72/17/32/573721732.db2.gz QGDPNNVEBVCYJA-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN CC[C@@H]1CC[C@@]2(COC(=O)N2)C1 83966250 573721740 /nfs/dbraw/zinc/72/17/40/573721740.db2.gz DUYIKNHAPFZHJE-APPZFPTMSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H](O)[C@@H]1CSCCS1 86982651 573721741 /nfs/dbraw/zinc/72/17/41/573721741.db2.gz LOYZNFLPSOBJPM-WDSKDSINSA-N 0 0 164.295 1.216 10 0 ADAERN CCC[C@@H](O)[C@@H]1CSCCS1 86982663 573721748 /nfs/dbraw/zinc/72/17/48/573721748.db2.gz ZIULXWJQZGXWPO-SFYZADRCSA-N 0 0 192.349 1.996 10 0 ADAERN C[C@@]1(c2cccc(F)c2)COC(=O)N1 83966164 573721763 /nfs/dbraw/zinc/72/17/63/573721763.db2.gz GNVWSLUBJNLVKU-JTQLQIEISA-N 0 0 195.193 1.781 10 0 ADAERN C/C=C/[C@@H]1O[C@H](O)C[C@@H]1C 238044433 573721774 /nfs/dbraw/zinc/72/17/74/573721774.db2.gz HYYGGTBLWSPOTE-GERCBLDOSA-N 0 0 142.198 1.306 10 0 ADAERN Cc1[nH]nc2c1C(C)(C)CC(=O)N2 238495653 573721775 /nfs/dbraw/zinc/72/17/75/573721775.db2.gz RYEUUHYIRGQMJJ-UHFFFAOYSA-N 0 0 179.223 1.338 10 0 ADAERN N#C[C@H](N)CCC(F)(F)F 142982634 573721777 /nfs/dbraw/zinc/72/17/77/573721777.db2.gz XMMUZYAEVNFMIL-SCSAIBSYSA-N 0 0 152.119 1.180 10 0 ADAERN C/C=C/[C@@H]1COC/C1=C/CO 238041843 573721791 /nfs/dbraw/zinc/72/17/91/573721791.db2.gz YMCJWTOWDZXXSH-KGKLHCQRSA-N 0 0 154.209 1.128 10 0 ADAERN O=C1N[C@H](c2ccc(F)cc2F)CO1 83965235 573721804 /nfs/dbraw/zinc/72/18/04/573721804.db2.gz TTZUKUAVJGTSST-QMMMGPOBSA-N 0 0 199.156 1.746 10 0 ADAERN C[C@H](O)c1coc([C@H]2CCCCN2)n1 258104011 573721823 /nfs/dbraw/zinc/72/18/23/573721823.db2.gz NQPOZIPOQZNRTG-JGVFFNPUSA-N 0 0 196.250 1.543 10 0 ADAERN C[NH2+]Cc1nnc(C(C)(C)C)s1 83965519 573721843 /nfs/dbraw/zinc/72/18/43/573721843.db2.gz SCYVINGTDYSAFH-UHFFFAOYSA-N 0 0 185.296 1.555 10 0 ADAERN Cc1n[nH]cc1C(=O)c1ccncc1 75870785 573721848 /nfs/dbraw/zinc/72/18/48/573721848.db2.gz IWEDETIVPZGMNJ-UHFFFAOYSA-N 0 0 187.202 1.344 10 0 ADAERN c1ccc2c(c1)CN[C@@H]1CCC[N@H+]1C2 238043014 573721865 /nfs/dbraw/zinc/72/18/65/573721865.db2.gz ILOYVPYGEPNDEE-LBPRGKRZSA-N 0 0 188.274 1.712 10 0 ADAERN O=C1N[C@@H](c2ccccc2F)CO1 83966080 573721877 /nfs/dbraw/zinc/72/18/77/573721877.db2.gz LEKLAURLEDFPAH-MRVPVSSYSA-N 0 0 181.166 1.607 10 0 ADAERN CC[C@@H](O)c1cccc(O)c1N 258512651 573721897 /nfs/dbraw/zinc/72/18/97/573721897.db2.gz LNAVQHXSMYNRSK-SSDOTTSWSA-N 0 0 167.208 1.418 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)NCC2 257856928 573721920 /nfs/dbraw/zinc/72/19/20/573721920.db2.gz FXUMQSAXRBSQEU-MRVPVSSYSA-N 0 0 177.247 1.750 10 0 ADAERN Cc1cc(F)ccc1[C@H]1COC(=O)N1 83965575 573721923 /nfs/dbraw/zinc/72/19/23/573721923.db2.gz IRPVOJURNJXMBU-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN O=C1N[C@H](c2cc(F)ccc2F)CO1 83965546 573721936 /nfs/dbraw/zinc/72/19/36/573721936.db2.gz JWYKLGGKPLXTFI-QMMMGPOBSA-N 0 0 199.156 1.746 10 0 ADAERN C[C@@]1(c2ccccc2F)COC(=O)N1 83965504 573721944 /nfs/dbraw/zinc/72/19/44/573721944.db2.gz SOAXRXIKLBPXAT-JTQLQIEISA-N 0 0 195.193 1.781 10 0 ADAERN Cc1ccc(F)c2nc(C[NH3+])[nH]c12 238495119 573723262 /nfs/dbraw/zinc/72/32/62/573723262.db2.gz AJXIZZXUXIJLFQ-UHFFFAOYSA-N 0 0 179.198 1.469 10 0 ADAERN Cc1cc(C)c2c(=O)[nH]c(=O)oc2c1 238496250 573721949 /nfs/dbraw/zinc/72/19/49/573721949.db2.gz QHYNABDVYOEMHK-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN O=C(C1CC1)[C@@H]1CSCCS1 86982473 573721958 /nfs/dbraw/zinc/72/19/58/573721958.db2.gz LILVRBRGTXLLAL-ZETCQYMHSA-N 0 0 188.317 1.814 10 0 ADAERN COCCCCC1(O)CC1 257856434 573721960 /nfs/dbraw/zinc/72/19/60/573721960.db2.gz BWDUFEKXUKQXAN-UHFFFAOYSA-N 0 0 144.214 1.328 10 0 ADAERN C[C@@H](O)[C@@H]1CSCCS1 86982654 573721965 /nfs/dbraw/zinc/72/19/65/573721965.db2.gz LOYZNFLPSOBJPM-RITPCOANSA-N 0 0 164.295 1.216 10 0 ADAERN COC(=O)[C@@H](F)CC1CCOCC1 257856936 573721967 /nfs/dbraw/zinc/72/19/67/573721967.db2.gz QEVKOZIPGBXTBG-QMMMGPOBSA-N 0 0 190.214 1.314 10 0 ADAERN COCc1cc(OC)c(F)cc1C=O 258103850 573721968 /nfs/dbraw/zinc/72/19/68/573721968.db2.gz YEPXVYJSAPQVGI-UHFFFAOYSA-N 0 0 198.193 1.793 10 0 ADAERN C[C@@H]1CCCC[C@@]12COC(=O)N2 83965181 573721969 /nfs/dbraw/zinc/72/19/69/573721969.db2.gz RTZOYEYPOUDORN-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H]1CCCC[C@@]12COC(=O)N2 83965183 573721972 /nfs/dbraw/zinc/72/19/72/573721972.db2.gz RTZOYEYPOUDORN-IONNQARKSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H]1[C@@H]2C(=O)CC[C@@H]21 142943805 573721975 /nfs/dbraw/zinc/72/19/75/573721975.db2.gz YVXIZNNTCDTQQF-XAHCXIQSSA-N 0 0 110.156 1.231 10 0 ADAERN C[C@@]1(c2cccc(O)c2)COC(=O)N1 83966045 573721980 /nfs/dbraw/zinc/72/19/80/573721980.db2.gz FZFJCFIOWXINTP-JTQLQIEISA-N 0 0 193.202 1.347 10 0 ADAERN Cc1cc2nnnn2c2cc(N)ccc12 258105755 573721981 /nfs/dbraw/zinc/72/19/81/573721981.db2.gz OHJWHVLRRBOSJK-UHFFFAOYSA-N 0 0 199.217 1.168 10 0 ADAERN COCCCCN1CCCC(=O)C1 130899318 573721983 /nfs/dbraw/zinc/72/19/83/573721983.db2.gz FLCBTLJCKUNPBR-UHFFFAOYSA-N 0 0 185.267 1.078 10 0 ADAERN C[C@H]1CCCC[C@@]12C[NH+]=C(N)O2 83966264 573721986 /nfs/dbraw/zinc/72/19/86/573721986.db2.gz ZRZOKTJMDYHOGD-IONNQARKSA-N 0 0 168.240 1.280 10 0 ADAERN O=Cc1n[nH]cc1C1CCCC1 257856109 573721991 /nfs/dbraw/zinc/72/19/91/573721991.db2.gz TZENWWAGLXZRDP-UHFFFAOYSA-N 0 0 164.208 1.880 10 0 ADAERN OC[C@H]1O[C@H]1c1ccc(Cl)s1 142972116 573723224 /nfs/dbraw/zinc/72/32/24/573723224.db2.gz WIOVYKCSQXOKRY-CLZZGJSISA-N 0 0 190.651 1.834 10 0 ADAERN O=C1C[C@@H]2CCCCC(=O)[C@H]2O1 142911365 573722010 /nfs/dbraw/zinc/72/20/10/573722010.db2.gz JVTADUYWSPGRCZ-RCOVLWMOSA-N 0 0 168.192 1.061 10 0 ADAERN Cc1cccc([C@@H]2COC(=O)N2)c1 83966061 573722011 /nfs/dbraw/zinc/72/20/11/573722011.db2.gz HJZASCWKXJTGNE-VIFPVBQESA-N 0 0 177.203 1.776 10 0 ADAERN O=C(C1CC1)[C@H]1CSCCS1 86982475 573722039 /nfs/dbraw/zinc/72/20/39/573722039.db2.gz LILVRBRGTXLLAL-SSDOTTSWSA-N 0 0 188.317 1.814 10 0 ADAERN Cc1ccccc1[C@@H]1COC(=O)N1 83966173 573722044 /nfs/dbraw/zinc/72/20/44/573722044.db2.gz VUNQMYFYTXQKEU-VIFPVBQESA-N 0 0 177.203 1.776 10 0 ADAERN O[C@H]1COC[C@H]1C1CCCCC1 687965328 573722047 /nfs/dbraw/zinc/72/20/47/573722047.db2.gz GIJGYEVAVOJVQM-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1cc(-c2c[nH]c(C=O)n2)c(C)[nH]1 83966249 573722049 /nfs/dbraw/zinc/72/20/49/573722049.db2.gz WYSZDOWNTZMLBF-UHFFFAOYSA-N 0 0 189.218 1.834 10 0 ADAERN CC[C@@H]1C[C@]2(CCO1)COC(=O)N2 83965329 573722058 /nfs/dbraw/zinc/72/20/58/573722058.db2.gz UNSWOKSARRCWOL-VXNVDRBHSA-N 0 0 185.223 1.054 10 0 ADAERN CCc1ccccc1[C@@H]1CNC(=[NH2+])O1 83966415 573722064 /nfs/dbraw/zinc/72/20/64/573722064.db2.gz HMDMSHNCZLVDAN-JTQLQIEISA-N 0 0 190.246 1.635 10 0 ADAERN C[C@H](O)CCC(=O)NCc1ccoc1 130885911 573722065 /nfs/dbraw/zinc/72/20/65/573722065.db2.gz RHWSVYFGKKLFOS-QMMMGPOBSA-N 0 0 197.234 1.057 10 0 ADAERN Cc1ccccc1[C@H]1CC(=O)N(C)N1 257856841 573722069 /nfs/dbraw/zinc/72/20/69/573722069.db2.gz QBWGZHMOSVOYID-SNVBAGLBSA-N 0 0 190.246 1.403 10 0 ADAERN Cc1cc(F)ccc1[C@H]1CNC(=[NH2+])O1 83966490 573722089 /nfs/dbraw/zinc/72/20/89/573722089.db2.gz LEMYJUVGXUJVKJ-SECBINFHSA-N 0 0 194.209 1.520 10 0 ADAERN CC1(C)CCSC[C@]12CNC(=O)C2 86973951 573722108 /nfs/dbraw/zinc/72/21/08/573722108.db2.gz GUQXPRPWHZHIBE-JTQLQIEISA-N 0 0 199.319 1.656 10 0 ADAERN Cc1ccc([C@]2(C)COC(=O)N2)cc1 83965494 573722119 /nfs/dbraw/zinc/72/21/19/573722119.db2.gz XQCHJCMIOUBLHY-NSHDSACASA-N 0 0 191.230 1.950 10 0 ADAERN COc1cccc([C@H]2COC(=O)N2)c1 83965245 573722125 /nfs/dbraw/zinc/72/21/25/573722125.db2.gz LYOYUNHYWTYSAO-SECBINFHSA-N 0 0 193.202 1.476 10 0 ADAERN CC1(C)CCSC[C@H]1O 86972405 573722139 /nfs/dbraw/zinc/72/21/39/573722139.db2.gz PHFALDPYGUIERW-ZCFIWIBFSA-N 0 0 146.255 1.510 10 0 ADAERN CC1=C(C)NC(=O)C(C)(C)C1 143010633 573722140 /nfs/dbraw/zinc/72/21/40/573722140.db2.gz ZMPVERKTHMCJOZ-UHFFFAOYSA-N 0 0 153.225 1.826 10 0 ADAERN CC(=O)COc1c(F)cccc1F 75881337 573722164 /nfs/dbraw/zinc/72/21/64/573722164.db2.gz YQMNAEXKGNTNIZ-UHFFFAOYSA-N 0 0 186.157 1.933 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12COC(=O)N2 83965270 573722166 /nfs/dbraw/zinc/72/21/66/573722166.db2.gz IESJCNPQRWQKFZ-KHQFGBGNSA-N 0 0 183.251 1.921 10 0 ADAERN O=C([O-])CCc1ccc2c(c1)C[NH2+]C2 257855976 573722174 /nfs/dbraw/zinc/72/21/74/573722174.db2.gz QAICJWHPYVLHSV-UHFFFAOYSA-N 0 0 191.230 1.307 10 0 ADAERN CC[C@@H](NC=O)c1ccc(C)o1 142990474 573722179 /nfs/dbraw/zinc/72/21/79/573722179.db2.gz ZESNZJUYSHDSSO-MRVPVSSYSA-N 0 0 167.208 1.785 10 0 ADAERN Cc1ccc([C@H]2CNC(=[NH2+])O2)c(C)c1 83966368 573722192 /nfs/dbraw/zinc/72/21/92/573722192.db2.gz JVECNZTZRUJVIO-SNVBAGLBSA-N 0 0 190.246 1.689 10 0 ADAERN N[C@H](F)C1=CCCC1 257856082 573722193 /nfs/dbraw/zinc/72/21/93/573722193.db2.gz TYHNJLDWXMKQEK-LURJTMIESA-N 0 0 115.151 1.351 10 0 ADAERN C[C@]1(c2nccs2)COC(=O)N1 83965567 573722205 /nfs/dbraw/zinc/72/22/05/573722205.db2.gz ZRABLBSGDSFTTQ-SSDOTTSWSA-N 0 0 184.220 1.098 10 0 ADAERN CC[C@H]1CC[C@@]2(COC(N)=N2)C1 83965145 573722212 /nfs/dbraw/zinc/72/22/12/573722212.db2.gz JOIISVVBDQEUFA-CBAPKCEASA-N 0 0 168.240 1.280 10 0 ADAERN Cc1ccc(C2(O)CC2)c(C)c1O 258105737 573722234 /nfs/dbraw/zinc/72/22/34/573722234.db2.gz YHGNNEHPJQEIJY-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN Cc1n[nH]c2c1CCCC(=O)C2 238495541 573722222 /nfs/dbraw/zinc/72/22/22/573722222.db2.gz CMVYDMCLMPVWJH-UHFFFAOYSA-N 0 0 164.208 1.166 10 0 ADAERN C[C@H](c1ccccc1)[C@@H]1COC(=O)N1 83965561 573722229 /nfs/dbraw/zinc/72/22/29/573722229.db2.gz NKURPARMBKSIEO-SCZZXKLOSA-N 0 0 191.230 1.899 10 0 ADAERN O=C1N[C@@H](c2cc(F)ccc2F)CO1 83965547 573722243 /nfs/dbraw/zinc/72/22/43/573722243.db2.gz JWYKLGGKPLXTFI-MRVPVSSYSA-N 0 0 199.156 1.746 10 0 ADAERN CCc1[n-]n(C(C)C)c(=O)c1C[NH3+] 258104343 573722244 /nfs/dbraw/zinc/72/22/44/573722244.db2.gz YJUVFHGVWJJBFI-UHFFFAOYSA-N 0 0 183.255 1.191 10 0 ADAERN CCCOC[C@@H](O)CCCCOC 393555203 573722266 /nfs/dbraw/zinc/72/22/66/573722266.db2.gz LHVCJGSMPMLPEY-JTQLQIEISA-N 0 0 190.283 1.591 10 0 ADAERN CCC(CC)[C@@H]1COC(N)=N1 83965088 573722270 /nfs/dbraw/zinc/72/22/70/573722270.db2.gz NLUNIXSIECNONW-ZETCQYMHSA-N 0 0 156.229 1.136 10 0 ADAERN C/C=C/[C@@H]1C[C@@H](C(C)=O)[C@@H]1CO 238041952 573722276 /nfs/dbraw/zinc/72/22/76/573722276.db2.gz CNZBNFSSXIHTPS-DXQGWMINSA-N 0 0 168.236 1.396 10 0 ADAERN Cc1ccc([C@@H]2COC(=O)N2)cc1F 83965158 573722284 /nfs/dbraw/zinc/72/22/84/573722284.db2.gz OEDQQQRZOGJPOQ-VIFPVBQESA-N 0 0 195.193 1.915 10 0 ADAERN Cc1cc(O)ccc1[C@H]1CCC(=O)N1 238485646 573723241 /nfs/dbraw/zinc/72/32/41/573723241.db2.gz UZFMIOGYQRMAJU-SNVBAGLBSA-N 0 0 191.230 1.652 10 0 ADAERN Cc1cc(F)ccc1[C@@H]1COC(=O)N1 83965573 573722301 /nfs/dbraw/zinc/72/23/01/573722301.db2.gz IRPVOJURNJXMBU-VIFPVBQESA-N 0 0 195.193 1.915 10 0 ADAERN c1cc2c(s1)OCNC2 238042529 573722305 /nfs/dbraw/zinc/72/23/05/573722305.db2.gz WAYVDISREKTKKK-UHFFFAOYSA-N 0 0 141.195 1.188 10 0 ADAERN COCCCCNOC1CCCC1 130881654 573722310 /nfs/dbraw/zinc/72/23/10/573722310.db2.gz DCDFDWBGINXFIH-UHFFFAOYSA-N 0 0 187.283 1.877 10 0 ADAERN CC(C)c1conc1C=O 257856111 573722314 /nfs/dbraw/zinc/72/23/14/573722314.db2.gz TZMJCKCPBCJGTL-UHFFFAOYSA-N 0 0 139.154 1.611 10 0 ADAERN CC(C)n1nc(N)c2c1CCSC2 257856885 573722318 /nfs/dbraw/zinc/72/23/18/573722318.db2.gz QDDSMDGQUGWSGY-UHFFFAOYSA-N 0 0 197.307 1.836 10 0 ADAERN CCC[C@H]1C[C@@]2(CCO1)COC(=O)N2 83966120 573722342 /nfs/dbraw/zinc/72/23/42/573722342.db2.gz OBJISOSLXQUERV-WPRPVWTQSA-N 0 0 199.250 1.444 10 0 ADAERN CC(=O)N[C@@H](C)C=C(Cl)Cl 142935206 573722344 /nfs/dbraw/zinc/72/23/44/573722344.db2.gz NSMFYPWTRVECIN-BYPYZUCNSA-N 0 0 182.050 1.830 10 0 ADAERN CC(C)(C)C[C@@H]1COC(=O)N1 83966223 573722350 /nfs/dbraw/zinc/72/23/50/573722350.db2.gz YTLYLUAYSIQZHH-ZCFIWIBFSA-N 0 0 157.213 1.531 10 0 ADAERN C/C(=C/c1nnn2ccccc12)CO 238042976 573723244 /nfs/dbraw/zinc/72/32/44/573723244.db2.gz MHJHYEBIUOWRMT-VURMDHGXSA-N 0 0 189.218 1.125 10 0 ADAERN C/C(=C\CCC1OCCO1)CO 238043616 573722363 /nfs/dbraw/zinc/72/23/63/573722363.db2.gz YWISCPVIPACVLR-FPYGCLRLSA-N 0 0 172.224 1.078 10 0 ADAERN CCCOC[C@H](O)CCCCOC 393555205 573722367 /nfs/dbraw/zinc/72/23/67/573722367.db2.gz LHVCJGSMPMLPEY-SNVBAGLBSA-N 0 0 190.283 1.591 10 0 ADAERN C[C@H]1CCC[C@]2(COC(=O)N2)C1 83965467 573722411 /nfs/dbraw/zinc/72/24/11/573722411.db2.gz REQNXQIFWYQQAU-IONNQARKSA-N 0 0 169.224 1.675 10 0 ADAERN c1cc2ncc3c(c2cn1)C3 238051026 573722414 /nfs/dbraw/zinc/72/24/14/573722414.db2.gz MTFWIAKCANBXGG-UHFFFAOYSA-N 0 0 142.161 1.534 10 0 ADAERN CC(=O)c1cccc(-n2cncn2)c1 83965816 573722418 /nfs/dbraw/zinc/72/24/18/573722418.db2.gz CNGZLLDUDMQTEH-UHFFFAOYSA-N 0 0 187.202 1.470 10 0 ADAERN Cc1nc(C(F)F)c(O)cc1C=O 238495728 573722419 /nfs/dbraw/zinc/72/24/19/573722419.db2.gz MTYQOZJMSIWGEL-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN C/C=C/[C@@H]1O[C@@H](O)C[C@@H]1C 238044188 573722421 /nfs/dbraw/zinc/72/24/21/573722421.db2.gz HYYGGTBLWSPOTE-HHJJNUARSA-N 0 0 142.198 1.306 10 0 ADAERN O=C1N[C@@H](c2cccc(F)c2F)CO1 83965346 573722381 /nfs/dbraw/zinc/72/23/81/573722381.db2.gz VRIRHLGWWSGNHC-SSDOTTSWSA-N 0 0 199.156 1.746 10 0 ADAERN CC[C@H]1C[C@]2(CCO1)COC(=O)N2 83965331 573722389 /nfs/dbraw/zinc/72/23/89/573722389.db2.gz UNSWOKSARRCWOL-IONNQARKSA-N 0 0 185.223 1.054 10 0 ADAERN O[C@H]1COC[C@@H]1C1CCCCC1 687965334 573722395 /nfs/dbraw/zinc/72/23/95/573722395.db2.gz GIJGYEVAVOJVQM-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN C=C=CC[C@@H](O)CCC 142965036 573723270 /nfs/dbraw/zinc/72/32/70/573723270.db2.gz HZWZBATXRZCTJS-QMMMGPOBSA-N 0 0 126.199 1.879 10 0 ADAERN c1cc2cc3c(cc2[nH]1)ONC3 238043768 573722445 /nfs/dbraw/zinc/72/24/45/573722445.db2.gz WEODMYOZEITQQB-UHFFFAOYSA-N 0 0 160.176 1.565 10 0 ADAERN CC(C)[N@H+](C[C@@H]1C[C@H]1C)[C@H](C)C(=O)[O-] 308680973 573722446 /nfs/dbraw/zinc/72/24/46/573722446.db2.gz XPPJQPCWTNTQAO-BBBLOLIVSA-N 0 0 199.294 1.826 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@@](O)(CO)C1 238495027 573722453 /nfs/dbraw/zinc/72/24/53/573722453.db2.gz XZJIQKVPYBDGTB-BRPSZJMVSA-N 0 0 158.241 1.166 10 0 ADAERN OC[C@]1(O)CCc2cc(Cl)ccc21 257857165 573722454 /nfs/dbraw/zinc/72/24/54/573722454.db2.gz NXHVAFUCXCOIMG-SNVBAGLBSA-N 0 0 198.649 1.466 10 0 ADAERN Cc1ccsc1[C@H]1COC(=O)N1 83966091 573722456 /nfs/dbraw/zinc/72/24/56/573722456.db2.gz OEBFGYWAZUNTKG-ZCFIWIBFSA-N 0 0 183.232 1.837 10 0 ADAERN O=C1N[C@H]([C@@H]2CC=CCC2)CO1 83966202 573722462 /nfs/dbraw/zinc/72/24/62/573722462.db2.gz ICTVLWJSXCVPDQ-SFYZADRCSA-N 0 0 167.208 1.451 10 0 ADAERN Cc1occc1[C@H](NN)[C@@H]1CCOC1 122321586 573722463 /nfs/dbraw/zinc/72/24/63/573722463.db2.gz CPMKLZZPCABFRG-PSASIEDQSA-N 0 0 196.250 1.129 10 0 ADAERN Cc1ccccc1[C@@H]1CC(=O)N(C)N1 257856840 573722470 /nfs/dbraw/zinc/72/24/70/573722470.db2.gz QBWGZHMOSVOYID-JTQLQIEISA-N 0 0 190.246 1.403 10 0 ADAERN Cc1nc2cc(C=O)ccc2c(=O)o1 238495088 573722471 /nfs/dbraw/zinc/72/24/71/573722471.db2.gz XHLXNBLELQFKPF-UHFFFAOYSA-N 0 0 189.170 1.309 10 0 ADAERN C[C@@H]1NC(=O)C[C@]12CCCS[C@@H]2C 86969614 573722472 /nfs/dbraw/zinc/72/24/72/573722472.db2.gz USSZZJKPEMBCQJ-QXFUBDJGSA-N 0 0 199.319 1.797 10 0 ADAERN CC(=O)C/C=C1\C=CCO[C@@H]1C 238496287 573722476 /nfs/dbraw/zinc/72/24/76/573722476.db2.gz MHACDFGDLWMTAY-ZFZMKPAXSA-N 0 0 166.220 1.867 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)COC(=O)N2 83965676 573722515 /nfs/dbraw/zinc/72/25/15/573722515.db2.gz GCDPTOGORMNBHX-WEDXCCLWSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CC[C@@]2(COC(=O)N2)[C@H](C)C1 83966092 573722518 /nfs/dbraw/zinc/72/25/18/573722518.db2.gz QYGVLZIKBAOUHZ-NQMVMOMDSA-N 0 0 183.251 1.921 10 0 ADAERN Cc1ccc2c(c1)C=CCN2C(N)=O 238496222 573722530 /nfs/dbraw/zinc/72/25/30/573722530.db2.gz UQBQOUXJZJFPKI-UHFFFAOYSA-N 0 0 188.230 1.907 10 0 ADAERN Cc1ccc([C@@H](F)CO)cn1 108283092 573722540 /nfs/dbraw/zinc/72/25/40/573722540.db2.gz JJSIOBVYEROOLU-QMMMGPOBSA-N 0 0 155.172 1.393 10 0 ADAERN CCC[C@H]1C[C@]2(CCO1)COC(=O)N2 83966124 573722548 /nfs/dbraw/zinc/72/25/48/573722548.db2.gz OBJISOSLXQUERV-WCBMZHEXSA-N 0 0 199.250 1.444 10 0 ADAERN CCOc1cc(N)ccc1F 75881738 573722564 /nfs/dbraw/zinc/72/25/64/573722564.db2.gz XOXRXFSOWBRKEL-UHFFFAOYSA-N 0 0 155.172 1.807 10 0 ADAERN C[C@@]1(c2ccncc2)COC(=O)N1 83965500 573722567 /nfs/dbraw/zinc/72/25/67/573722567.db2.gz FCGQIYSLRBZMKC-VIFPVBQESA-N 0 0 178.191 1.037 10 0 ADAERN C[C@@H](CCCO)C(F)(F)F 108283504 573722572 /nfs/dbraw/zinc/72/25/72/573722572.db2.gz SMOLENZTFOTXIT-YFKPBYRVSA-N 0 0 156.147 1.957 10 0 ADAERN Cc1nc(C(F)F)c(N)cc1CO 238495300 573722588 /nfs/dbraw/zinc/72/25/88/573722588.db2.gz QMIFLBIYMYVZLS-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC1=CC=CC2=NCC(=O)N12 258418467 573722597 /nfs/dbraw/zinc/72/25/97/573722597.db2.gz BTCHNMKHPJEJDX-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN C[C@H]1CCC[C@@]12COC(=O)N2 83965713 573722608 /nfs/dbraw/zinc/72/26/08/573722608.db2.gz XVCNXISTQRVNDX-POYBYMJQSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12CCCS[C@@H]2C 86969617 573722613 /nfs/dbraw/zinc/72/26/13/573722613.db2.gz USSZZJKPEMBCQJ-XKSSXDPKSA-N 0 0 199.319 1.797 10 0 ADAERN C/C=C/[C@@H]1OC(C)(C)O[C@@]1(C)CO 238043894 573722621 /nfs/dbraw/zinc/72/26/21/573722621.db2.gz RCBZXXNEQLDJHU-ILNMFHDSSA-N 0 0 186.251 1.465 10 0 ADAERN Nc1nc(CCC(F)(F)F)ns1 86979259 573722623 /nfs/dbraw/zinc/72/26/23/573722623.db2.gz HBMQZAQNHRICRT-UHFFFAOYSA-N 0 0 197.185 1.615 10 0 ADAERN C[C@H](O)c1coc([C@@H]2CCCCN2)n1 258104015 573722626 /nfs/dbraw/zinc/72/26/26/573722626.db2.gz NQPOZIPOQZNRTG-YUMQZZPRSA-N 0 0 196.250 1.543 10 0 ADAERN C[C@H]1CCCC(CO)(CO)C1 238485671 573722628 /nfs/dbraw/zinc/72/26/28/573722628.db2.gz YFMMCSPVLGQQSB-QMMMGPOBSA-N 0 0 158.241 1.168 10 0 ADAERN CCCCC[C@@H]1C[NH+]=C(N)O1 83966252 573722637 /nfs/dbraw/zinc/72/26/37/573722637.db2.gz IFOJDPYPEYZVEL-SSDOTTSWSA-N 0 0 156.229 1.280 10 0 ADAERN Cc1ccc2c(c1)C=C[C@@H](O)N2C#N 238495901 573722640 /nfs/dbraw/zinc/72/26/40/573722640.db2.gz YWLIHGUETAJOLD-LLVKDONJSA-N 0 0 186.214 1.628 10 0 ADAERN [NH2+]=C1NC[C@@]2(CCc3ccccc32)O1 83966275 573722651 /nfs/dbraw/zinc/72/26/51/573722651.db2.gz PSUVWUPIVNLHON-LLVKDONJSA-N 0 0 188.230 1.173 10 0 ADAERN OCC[C@@H]1Cc2c(F)cccc2O1 258105276 573722652 /nfs/dbraw/zinc/72/26/52/573722652.db2.gz IUWGRFVIZNOHQR-SSDOTTSWSA-N 0 0 182.194 1.512 10 0 ADAERN CC(C)CC[C@@H](O)c1ncnn1C 78577289 573722679 /nfs/dbraw/zinc/72/26/79/573722679.db2.gz JLHOUJHJEHYFOB-MRVPVSSYSA-N 0 0 183.255 1.285 10 0 ADAERN CC(=O)[C@H]1CSCCS1 86981958 573722680 /nfs/dbraw/zinc/72/26/80/573722680.db2.gz QWNFVIAVYJKJQX-ZCFIWIBFSA-N 0 0 162.279 1.424 10 0 ADAERN C[C@@H]1SCCC[C@]12CNC(=O)C2 86969607 573722686 /nfs/dbraw/zinc/72/26/86/573722686.db2.gz HFCKKCFVOISJOQ-CBAPKCEASA-N 0 0 185.292 1.408 10 0 ADAERN C[C@]1(c2cccnc2)COC(=O)N1 83965624 573722688 /nfs/dbraw/zinc/72/26/88/573722688.db2.gz ZAUSIPDNBAIGIN-SECBINFHSA-N 0 0 178.191 1.037 10 0 ADAERN Cc1ccc2c(c1)NCCN2C=O 238496259 573722693 /nfs/dbraw/zinc/72/26/93/573722693.db2.gz DOFYLOVCNIXBMN-UHFFFAOYSA-N 0 0 176.219 1.383 10 0 ADAERN C[C@@]1(C2CCCC2)COC(=O)N1 83965703 573722697 /nfs/dbraw/zinc/72/26/97/573722697.db2.gz HGRRIMCCHODBGR-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN C/C=C/[C@@H]1NC(C)(C)SC1=O 238042929 573722699 /nfs/dbraw/zinc/72/26/99/573722699.db2.gz QSOORWFTRLIAJV-OVCGOVNKSA-N 0 0 171.265 1.530 10 0 ADAERN Cc1coc([C@@H]2NCCS2)c1 238496342 573722700 /nfs/dbraw/zinc/72/27/00/573722700.db2.gz CWEMWPRTMQXCDA-MRVPVSSYSA-N 0 0 169.249 1.923 10 0 ADAERN Oc1ccc2c(c1)NC[C@@H]2F 258512688 573722702 /nfs/dbraw/zinc/72/27/02/573722702.db2.gz LNVKOUMRXJPCDD-ZETCQYMHSA-N 0 0 153.156 1.828 10 0 ADAERN CCn1nnc(C2CCC2)c1N 258512703 573722710 /nfs/dbraw/zinc/72/27/10/573722710.db2.gz LOOBYVFEJJUHGE-UHFFFAOYSA-N 0 0 166.228 1.148 10 0 ADAERN C[NH2+]C(C)(C)c1cccc(C(=O)[O-])c1 259563066 573722716 /nfs/dbraw/zinc/72/27/16/573722716.db2.gz SKOFDVUJKMIVDX-UHFFFAOYSA-N 0 0 193.246 1.839 10 0 ADAERN CC1(C)CSC[C@](C)(O)C1 86978005 573722720 /nfs/dbraw/zinc/72/27/20/573722720.db2.gz QORQHHPMPNYUMM-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN O=C1C[C@H]2CCCCC(=O)[C@H]2O1 142911760 573722722 /nfs/dbraw/zinc/72/27/22/573722722.db2.gz JVTADUYWSPGRCZ-MUWHJKNJSA-N 0 0 168.192 1.061 10 0 ADAERN CCC[C@H](O)[C@@H]1CSCCS1 86982661 573722729 /nfs/dbraw/zinc/72/27/29/573722729.db2.gz ZIULXWJQZGXWPO-YUMQZZPRSA-N 0 0 192.349 1.996 10 0 ADAERN c1ccc(SC[C@H]2C[NH2+]CO2)cc1 238041817 573722742 /nfs/dbraw/zinc/72/27/42/573722742.db2.gz UVAXFVWRSDSFJK-SECBINFHSA-N 0 0 195.287 1.725 10 0 ADAERN CCSC(=O)c1cccc(N)n1 257856668 573722744 /nfs/dbraw/zinc/72/27/44/573722744.db2.gz AXHGUZMFJNPWLF-UHFFFAOYSA-N 0 0 182.248 1.557 10 0 ADAERN C[C@H]1CCC[C@@]2(COC(=O)N2)C1 83965471 573722754 /nfs/dbraw/zinc/72/27/54/573722754.db2.gz REQNXQIFWYQQAU-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@]1(C)C[C@]2(CCO1)COC(=O)N2 83965592 573722761 /nfs/dbraw/zinc/72/27/61/573722761.db2.gz DUSWUMQSOJAGHK-NXEZZACHSA-N 0 0 199.250 1.444 10 0 ADAERN C[C@@]1(O)CCC(=O)c2ccccc21 238495497 573722762 /nfs/dbraw/zinc/72/27/62/573722762.db2.gz BJPKGUCGTCZARR-LLVKDONJSA-N 0 0 176.215 1.871 10 0 ADAERN COCC(=O)[C@H]1CSCCS1 86982445 573722765 /nfs/dbraw/zinc/72/27/65/573722765.db2.gz NZLSXEDJYXGSMI-SSDOTTSWSA-N 0 0 192.305 1.051 10 0 ADAERN CC[C@@H](C)[C@@]1(C)C[NH+]=C(N)O1 83966340 573722778 /nfs/dbraw/zinc/72/27/78/573722778.db2.gz OFGSGKMZYONYRE-HTRCEHHLSA-N 0 0 156.229 1.136 10 0 ADAERN C[C@@H]1CC[C@]2(COC(=O)N2)[C@H](C)C1 83966097 573722791 /nfs/dbraw/zinc/72/27/91/573722791.db2.gz QYGVLZIKBAOUHZ-MRTMQBJTSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CCC[C@@]2(COC(=O)N2)[C@@H]1C 83965297 573722799 /nfs/dbraw/zinc/72/27/99/573722799.db2.gz KUPDOCOKBOUBNL-NQMVMOMDSA-N 0 0 183.251 1.921 10 0 ADAERN CC(C)[N@H+](C[C@H]1C[C@H]1C)[C@@H](C)C(=O)[O-] 308680974 573722800 /nfs/dbraw/zinc/72/28/00/573722800.db2.gz XPPJQPCWTNTQAO-KXUCPTDWSA-N 0 0 199.294 1.826 10 0 ADAERN O[C@]1(CCC2CC2)CCCOC1 236586416 573722802 /nfs/dbraw/zinc/72/28/02/573722802.db2.gz ROBIPMQLYYQYRE-JTQLQIEISA-N 0 0 170.252 1.718 10 0 ADAERN C[S@@](=O)CC(=O)CC(C)(C)C 238495087 573723184 /nfs/dbraw/zinc/72/31/84/573723184.db2.gz YNBYXFQVEWUZED-LLVKDONJSA-N 0 0 176.281 1.370 10 0 ADAERN CC[C@]1(C)C[C@@]2(CCO1)COC(=O)N2 83965588 573722814 /nfs/dbraw/zinc/72/28/14/573722814.db2.gz DUSWUMQSOJAGHK-ZJUUUORDSA-N 0 0 199.250 1.444 10 0 ADAERN CC(C)c1nc2c([nH]1)CCC2=O 143000887 573722815 /nfs/dbraw/zinc/72/28/15/573722815.db2.gz ZMEQSKIOSXBCHV-UHFFFAOYSA-N 0 0 164.208 1.662 10 0 ADAERN O=C1NC[C@H]([C@H]2CCCSC2)O1 258099409 573722817 /nfs/dbraw/zinc/72/28/17/573722817.db2.gz BTWSIIBWTZUWHY-NKWVEPMBSA-N 0 0 187.264 1.238 10 0 ADAERN O=C1N[C@H](c2c(F)cccc2F)CO1 83965509 573722837 /nfs/dbraw/zinc/72/28/37/573722837.db2.gz YRSNSKHTVJBKKA-ZETCQYMHSA-N 0 0 199.156 1.746 10 0 ADAERN O=C1N[C@@H](c2cccc(O)c2)CO1 83966181 573722845 /nfs/dbraw/zinc/72/28/45/573722845.db2.gz UJYIAQXZSXGZKQ-MRVPVSSYSA-N 0 0 179.175 1.173 10 0 ADAERN O[C@@H](c1ccc(F)cc1)c1ncco1 75872118 573722854 /nfs/dbraw/zinc/72/28/54/573722854.db2.gz YRADTRWDBSGOQD-VIFPVBQESA-N 0 0 193.177 1.895 10 0 ADAERN CC1Oc2cc(O)cc(O)c2C1=O 238495024 573722855 /nfs/dbraw/zinc/72/28/55/573722855.db2.gz QNKUAYBZRHUONQ-UHFFFAOYSA-N 0 0 180.159 1.858 10 0 ADAERN CC1(C)C[C@@]2(CCO1)COC(=O)N2 83966126 573722856 /nfs/dbraw/zinc/72/28/56/573722856.db2.gz BGBCGJYBCPPGRI-VIFPVBQESA-N 0 0 185.223 1.054 10 0 ADAERN CC[C@@]1(OC)CC[C@@H](OC)O1 143018605 573722867 /nfs/dbraw/zinc/72/28/67/573722867.db2.gz SXPXTWDTSIXSMS-YUMQZZPRSA-N 0 0 160.213 1.522 10 0 ADAERN O=C1NC2(CO1)Cc1ccccc1C2 83965553 573722878 /nfs/dbraw/zinc/72/28/78/573722878.db2.gz WOYKLSZJGLKHLO-UHFFFAOYSA-N 0 0 189.214 1.264 10 0 ADAERN CC[C@@H]1C[C@@]2(CCO1)COC(=O)N2 83965322 573722886 /nfs/dbraw/zinc/72/28/86/573722886.db2.gz UNSWOKSARRCWOL-APPZFPTMSA-N 0 0 185.223 1.054 10 0 ADAERN O=C1Cc2cc(O)c(F)cc2N1 257856613 573722889 /nfs/dbraw/zinc/72/28/89/573722889.db2.gz AUWYNBJTABHLQI-UHFFFAOYSA-N 0 0 167.139 1.026 10 0 ADAERN c1coc(-c2cc3c([nH]2)CC[NH2+]C3)c1 83966086 573722894 /nfs/dbraw/zinc/72/28/94/573722894.db2.gz LLOGHNPJSQPUIG-UHFFFAOYSA-N 0 0 188.230 1.920 10 0 ADAERN C[C@@H](c1ccccc1)[C@@H]1COC(=O)N1 83965559 573722909 /nfs/dbraw/zinc/72/29/09/573722909.db2.gz NKURPARMBKSIEO-WPRPVWTQSA-N 0 0 191.230 1.899 10 0 ADAERN O[C@H](c1nc[nH]n1)c1ccccc1F 75872747 573722917 /nfs/dbraw/zinc/72/29/17/573722917.db2.gz ITQXVKDKXTXMFJ-QMMMGPOBSA-N 0 0 193.181 1.026 10 0 ADAERN CC1(C)CSC[C@H](O)C1 86977242 573722924 /nfs/dbraw/zinc/72/29/24/573722924.db2.gz HVAMDQKRLSSEEV-ZCFIWIBFSA-N 0 0 146.255 1.510 10 0 ADAERN OC[C@H]1Cc2cccc(Cl)c21 258512625 573722928 /nfs/dbraw/zinc/72/29/28/573722928.db2.gz LMNMWRANBHNSIL-SSDOTTSWSA-N 0 0 168.623 1.972 10 0 ADAERN C[C@@H](CO)c1cccc2c1NCC2 257855697 573722932 /nfs/dbraw/zinc/72/29/32/573722932.db2.gz FTAXKIQGUOXHNF-QMMMGPOBSA-N 0 0 177.247 1.750 10 0 ADAERN Cc1c(C=O)cnn1-c1nccs1 124957668 573722938 /nfs/dbraw/zinc/72/29/38/573722938.db2.gz LCAKCRDWGQZJQV-UHFFFAOYSA-N 0 0 193.231 1.450 10 0 ADAERN CC[C@H](O)c1cccc(O)c1N 258512652 573723150 /nfs/dbraw/zinc/72/31/50/573723150.db2.gz LNAVQHXSMYNRSK-ZETCQYMHSA-N 0 0 167.208 1.418 10 0 ADAERN O[C@@H](c1ccncc1)c1ccccn1 75870998 573722955 /nfs/dbraw/zinc/72/29/55/573722955.db2.gz ZUEMETFJPKWLHX-NSHDSACASA-N 0 0 186.214 1.558 10 0 ADAERN CNc1nc(C2CCC2)co1 259173478 573722967 /nfs/dbraw/zinc/72/29/67/573722967.db2.gz ONIRDAIACSXTFC-UHFFFAOYSA-N 0 0 152.197 1.984 10 0 ADAERN C/C=C/[C@@H]1O[C@@H](C)CC(=O)[C@@H]1C 238044113 573723196 /nfs/dbraw/zinc/72/31/96/573723196.db2.gz LDNMCQCOIBUAPC-WYOYIEJBSA-N 0 0 168.236 1.945 10 0 ADAERN CC[C@H]1CC[C@]2(COC(=O)N2)C1 83966248 573722975 /nfs/dbraw/zinc/72/29/75/573722975.db2.gz DUYIKNHAPFZHJE-IONNQARKSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H]1Cc2ccccc2O[C@@H]1O 238485623 573722979 /nfs/dbraw/zinc/72/29/79/573722979.db2.gz GNYUPPUOTKNBLS-XVKPBYJWSA-N 0 0 164.204 1.576 10 0 ADAERN Cc1ccccc1[C@]1(C)COC(=O)N1 83966159 573722981 /nfs/dbraw/zinc/72/29/81/573722981.db2.gz CVCZAMGBLVGIKM-NSHDSACASA-N 0 0 191.230 1.950 10 0 ADAERN CCc1ccc([C@H]2CNC(=[NH2+])O2)cc1 83966591 573722988 /nfs/dbraw/zinc/72/29/88/573722988.db2.gz LUCLCNQWYMEKHP-SNVBAGLBSA-N 0 0 190.246 1.635 10 0 ADAERN CC[C@@H]1CC[C@]2(COC(=O)N2)C1 83966246 573723008 /nfs/dbraw/zinc/72/30/08/573723008.db2.gz DUYIKNHAPFZHJE-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN O=C1N[C@@H](c2c(F)cccc2F)CO1 83965510 573723015 /nfs/dbraw/zinc/72/30/15/573723015.db2.gz YRSNSKHTVJBKKA-SSDOTTSWSA-N 0 0 199.156 1.746 10 0 ADAERN CC(=O)Cn1ccnc1Cl 108284469 573723016 /nfs/dbraw/zinc/72/30/16/573723016.db2.gz WNXMXJHZEYQMBU-UHFFFAOYSA-N 0 0 158.588 1.126 10 0 ADAERN C/C=C/[C@@H]1CC[C@H](O)[C@@H](O)C1 238041515 573723026 /nfs/dbraw/zinc/72/30/26/573723026.db2.gz GOBIUORYYUDNLL-OHLWLDQVSA-N 0 0 156.225 1.084 10 0 ADAERN Cc1ccccc1[C@H]1COCC(=O)N1 238496412 573723199 /nfs/dbraw/zinc/72/31/99/573723199.db2.gz NHRVVEYOQUOUSK-SNVBAGLBSA-N 0 0 191.230 1.183 10 0 ADAERN OC[C@@H]1C[C@@]1(F)c1ccccc1 142899507 573723030 /nfs/dbraw/zinc/72/30/30/573723030.db2.gz AUXKTRHHSROWHO-VHSXEESVSA-N 0 0 166.195 1.864 10 0 ADAERN C/C=C/[C@@H]1C[NH2+][C@@H](CC(C)C)C(=O)N1 238041721 573723046 /nfs/dbraw/zinc/72/30/46/573723046.db2.gz ALNADWUVCAFNAT-CFUOYWMPSA-N 0 0 196.294 1.065 10 0 ADAERN OC[C@@H](F)c1ccccc1O 108283513 573723054 /nfs/dbraw/zinc/72/30/54/573723054.db2.gz VPOSJVBUMWBPBN-SSDOTTSWSA-N 0 0 156.156 1.395 10 0 ADAERN Cc1c(F)ccn2nccc12 238495947 573723055 /nfs/dbraw/zinc/72/30/55/573723055.db2.gz JJHBOZLGHZDGLY-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN Nc1cccc2sc(CO)cc12 258104632 573723068 /nfs/dbraw/zinc/72/30/68/573723068.db2.gz SECQWUNJLJGIJX-UHFFFAOYSA-N 0 0 179.244 1.976 10 0 ADAERN Cc1ccc([C@H](F)CO)cn1 108283088 573723106 /nfs/dbraw/zinc/72/31/06/573723106.db2.gz JJSIOBVYEROOLU-MRVPVSSYSA-N 0 0 155.172 1.393 10 0 ADAERN Nc1ccnc(CCC(F)(F)F)n1 86980793 573723109 /nfs/dbraw/zinc/72/31/09/573723109.db2.gz KZBUFBHADIRFBD-UHFFFAOYSA-N 0 0 191.156 1.554 10 0 ADAERN C[C@H]1C[C@@H](C)[C@@H]2C=CC(=O)N[C@@H]12 238496295 573723111 /nfs/dbraw/zinc/72/31/11/573723111.db2.gz VNVDHIDYPZSTAN-VEVYYDQMSA-N 0 0 165.236 1.333 10 0 ADAERN OC[C@H](F)c1cccc(F)c1 108284245 573723117 /nfs/dbraw/zinc/72/31/17/573723117.db2.gz BLIUVQLCNCYIAV-QMMMGPOBSA-N 0 0 158.147 1.829 10 0 ADAERN CC1(C)CSC[C@@]2(CNC(=O)C2)C1 86978975 573723121 /nfs/dbraw/zinc/72/31/21/573723121.db2.gz IILIFXOZZMCMRK-SNVBAGLBSA-N 0 0 199.319 1.656 10 0 ADAERN C[C@@]1(Cl)CC=NC(=S)N1 238496099 573723124 /nfs/dbraw/zinc/72/31/24/573723124.db2.gz YZTAFRIWRNCZHN-YFKPBYRVSA-N 0 0 162.645 1.344 10 0 ADAERN CCC(=O)[C@@H]1CSCCS1 86981871 573723154 /nfs/dbraw/zinc/72/31/54/573723154.db2.gz AWASTAWTADUTOS-ZETCQYMHSA-N 0 0 176.306 1.814 10 0 ADAERN CNc1nc(CCC(F)(F)F)no1 86980890 573723257 /nfs/dbraw/zinc/72/32/57/573723257.db2.gz AVTLSMKYFUCQHG-UHFFFAOYSA-N 0 0 195.144 1.606 10 0 ADAERN CONCc1cc(C)c(C)c(O)c1 258105681 573723290 /nfs/dbraw/zinc/72/32/90/573723290.db2.gz YGWMBTNTUQIUTQ-UHFFFAOYSA-N 0 0 181.235 1.660 10 0 ADAERN CCc1cccc(CCCO)c1O 258103915 573723307 /nfs/dbraw/zinc/72/33/07/573723307.db2.gz YGPHZORLKYBTRX-UHFFFAOYSA-N 0 0 180.247 1.880 10 0 ADAERN C[C@@H]1C=C(CCCO)CCO1 238496317 573723310 /nfs/dbraw/zinc/72/33/10/573723310.db2.gz GLFSJADHYZZFDY-MRVPVSSYSA-N 0 0 156.225 1.494 10 0 ADAERN C[C@@H]1CCC[C@@]12CNC(=O)O2 83967557 573724689 /nfs/dbraw/zinc/72/46/89/573724689.db2.gz HBKYDRWRKMXWRP-HTRCEHHLSA-N 0 0 155.197 1.285 10 0 ADAERN CC1(C)CSC[C@@H](O)C1 86977237 573724820 /nfs/dbraw/zinc/72/48/20/573724820.db2.gz HVAMDQKRLSSEEV-LURJTMIESA-N 0 0 146.255 1.510 10 0 ADAERN CN(C)C(=O)/C=C\c1ccc(N)cc1 78577762 573724691 /nfs/dbraw/zinc/72/46/91/573724691.db2.gz TYOGEBUAZMRGQP-YVMONPNESA-N 0 0 190.246 1.370 10 0 ADAERN C/C=C\C(=S)NC 146113564 573724217 /nfs/dbraw/zinc/72/42/17/573724217.db2.gz WKZZWAURBFBPRY-ARJAWSKDSA-N 0 0 115.201 1.109 10 0 ADAERN C[C@@]1(O)CC(=O)c2ccccc2[C@H]1O 238495283 573724227 /nfs/dbraw/zinc/72/42/27/573724227.db2.gz BHTJXAXBGQGQRW-GHMZBOCLSA-N 0 0 192.214 1.057 10 0 ADAERN O=C1NC[C@H](c2c(F)cccc2F)O1 83967370 573724232 /nfs/dbraw/zinc/72/42/32/573724232.db2.gz 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/nfs/dbraw/zinc/72/42/89/573724289.db2.gz ADOBAZJNDVHVDC-UHFFFAOYSA-N 0 0 166.176 1.541 10 0 ADAERN CC(C)[C@H]1C[C@@]2(CCO1)CNC(=O)O2 83967398 573724710 /nfs/dbraw/zinc/72/47/10/573724710.db2.gz XWUYKRJPOZXRFZ-SCZZXKLOSA-N 0 0 199.250 1.300 10 0 ADAERN OC[C@H]1O[C@@H]1c1ccc(Cl)s1 142971789 573724308 /nfs/dbraw/zinc/72/43/08/573724308.db2.gz WIOVYKCSQXOKRY-FBCQKBJTSA-N 0 0 190.651 1.834 10 0 ADAERN C[C@H]1CN=C(NCc2ccccc2)O1 238496082 573724317 /nfs/dbraw/zinc/72/43/17/573724317.db2.gz MUVGVJQMHAGZGN-VIFPVBQESA-N 0 0 190.246 1.551 10 0 ADAERN CN(C)C(=O)c1ncc(N)cc1Cl 142911240 573724319 /nfs/dbraw/zinc/72/43/19/573724319.db2.gz WAOLQYMUPVNRGD-UHFFFAOYSA-N 0 0 199.641 1.019 10 0 ADAERN OC[C@@H](F)c1ccc(O)cc1 108283523 573724325 /nfs/dbraw/zinc/72/43/25/573724325.db2.gz OXNHYTJCZONSMU-MRVPVSSYSA-N 0 0 156.156 1.395 10 0 ADAERN COc1nc2c(OC)cccc2o1 142953992 573724327 /nfs/dbraw/zinc/72/43/27/573724327.db2.gz SRJRJEYASBJORX-UHFFFAOYSA-N 0 0 179.175 1.845 10 0 ADAERN CCC(CC)C(=O)OCCN1CC1 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IURJJRXORYXPEJ-QMMMGPOBSA-N 0 0 199.156 1.746 10 0 ADAERN CCCc1nc(C[C@@H](C)O)co1 258106443 573725706 /nfs/dbraw/zinc/72/57/06/573725706.db2.gz NUAMVDBWCVNBIE-SSDOTTSWSA-N 0 0 169.224 1.550 10 0 ADAERN CC(=O)CNc1cccc(C(C)=O)c1 142941756 573725724 /nfs/dbraw/zinc/72/57/24/573725724.db2.gz RNDWZSBTWNZMTP-UHFFFAOYSA-N 0 0 191.230 1.890 10 0 ADAERN CC(=O)N1CC[C@@H]2[C@@H](O)CCC[C@@H]2C1 238058033 573725728 /nfs/dbraw/zinc/72/57/28/573725728.db2.gz MSCHRPFNEADAOY-VWYCJHECSA-N 0 0 197.278 1.016 10 0 ADAERN O[C@H](c1ccoc1)C1(O)CCCC1 236583902 573725734 /nfs/dbraw/zinc/72/57/34/573725734.db2.gz IRZQSTPRJSVJFU-SECBINFHSA-N 0 0 182.219 1.618 10 0 ADAERN Cc1nn(C)c2cccc(CON)c12 258108767 573725738 /nfs/dbraw/zinc/72/57/38/573725738.db2.gz PMORAEIVRPUCSO-UHFFFAOYSA-N 0 0 191.234 1.272 10 0 ADAERN Nc1n[nH]cc1-c1ccc2c[nH]nc2c1 258108387 573725749 /nfs/dbraw/zinc/72/57/49/573725749.db2.gz LBSDVRDJNBYPJA-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN NN[C@@H](C1CCCCC1)C(F)(F)F 97522960 573725751 /nfs/dbraw/zinc/72/57/51/573725751.db2.gz APXLSAPJLSFVOM-ZETCQYMHSA-N 0 0 196.216 1.961 10 0 ADAERN C[C@H](CCCO)C(F)(F)F 108283508 573725762 /nfs/dbraw/zinc/72/57/62/573725762.db2.gz SMOLENZTFOTXIT-RXMQYKEDSA-N 0 0 156.147 1.957 10 0 ADAERN C[C@@]1(C2CCCC2)CNC(=O)O1 83967387 573725763 /nfs/dbraw/zinc/72/57/63/573725763.db2.gz PCUCWVYOPOVOCB-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@]1(C)C[C@@]2(CCO1)CNC(=O)O2 83967453 573725769 /nfs/dbraw/zinc/72/57/69/573725769.db2.gz FJQFDLVLMVFJBK-ZJUUUORDSA-N 0 0 199.250 1.444 10 0 ADAERN COCc1cccc2c1CC[C@H]2O 83969234 573725786 /nfs/dbraw/zinc/72/57/86/573725786.db2.gz WNARQPQGZHHHLK-LLVKDONJSA-N 0 0 178.231 1.813 10 0 ADAERN S=C1NCCCc2ccsc21 144832920 573725791 /nfs/dbraw/zinc/72/57/91/573725791.db2.gz WVTMTXPARYJAKR-UHFFFAOYSA-N 0 0 183.301 1.959 10 0 ADAERN COC(=N)[C@@H]1CSCCS1 86985095 573725800 /nfs/dbraw/zinc/72/58/00/573725800.db2.gz CWCHPSYDNKZWHN-YFKPBYRVSA-N 0 0 177.294 1.459 10 0 ADAERN CNC(=O)c1nc2cc(F)ccc2o1 75883619 573725803 /nfs/dbraw/zinc/72/58/03/573725803.db2.gz LSEYSQZIRIWFRD-UHFFFAOYSA-N 0 0 194.165 1.327 10 0 ADAERN O[C@]1(C2=CCCCC2)CCOC1 236584428 573725808 /nfs/dbraw/zinc/72/58/08/573725808.db2.gz HSHQBVDYJYXZJI-SNVBAGLBSA-N 0 0 168.236 1.638 10 0 ADAERN CC(C)CC[C@@]1(C)CNC(=O)O1 83967477 573725821 /nfs/dbraw/zinc/72/58/21/573725821.db2.gz XVRDJZDRHCXQJE-VIFPVBQESA-N 0 0 171.240 1.921 10 0 ADAERN Nc1nc(-c2ccc(O)cc2)no1 83967789 573727644 /nfs/dbraw/zinc/72/76/44/573727644.db2.gz ZJOHVNFIMLZUPZ-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN C[C@@H]1CCC[C@]2(CNC(=O)O2)[C@@H]1C 83967343 573725834 /nfs/dbraw/zinc/72/58/34/573725834.db2.gz FIRSYTOCCSBZQD-MRTMQBJTSA-N 0 0 183.251 1.921 10 0 ADAERN CC[C@@H]1CC[C@]2(CNC(=O)O2)C1 83967357 573725840 /nfs/dbraw/zinc/72/58/40/573725840.db2.gz UCRWARSHDIVIQQ-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@H](C)[C@]1(C)CNC(=O)O1 83967210 573725847 /nfs/dbraw/zinc/72/58/47/573725847.db2.gz WRSVLBZEDTXQNP-XPUUQOCRSA-N 0 0 157.213 1.531 10 0 ADAERN O=Cc1nc2cc(F)cc(F)c2o1 75883617 573725861 /nfs/dbraw/zinc/72/58/61/573725861.db2.gz IXSFKJUSACKQBB-UHFFFAOYSA-N 0 0 183.113 1.919 10 0 ADAERN C[C@H]1CCC[C@]2(CNC(=O)O2)C1 83967568 573725894 /nfs/dbraw/zinc/72/58/94/573725894.db2.gz DMSMZBFYSRQVFG-IONNQARKSA-N 0 0 169.224 1.675 10 0 ADAERN OC[C@@H](F)c1ccc(F)cc1 108284248 573725895 /nfs/dbraw/zinc/72/58/95/573725895.db2.gz YEECDWZZPFJEHI-MRVPVSSYSA-N 0 0 158.147 1.829 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)O2)cc1F 83967550 573725903 /nfs/dbraw/zinc/72/59/03/573725903.db2.gz XLEWNFBUKSPKLQ-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)c1ccncc1 238057799 573725907 /nfs/dbraw/zinc/72/59/07/573725907.db2.gz QJCSWGDEFMSBRM-AQHVTNBVSA-N 0 0 179.219 1.052 10 0 ADAERN CCO[C@H]1CNc2cc(F)ccc2O1 75883365 573725914 /nfs/dbraw/zinc/72/59/14/573725914.db2.gz UFPIELRMZDMBCU-SNVBAGLBSA-N 0 0 197.209 1.993 10 0 ADAERN CC(=O)Cn1nccc1Cl 108284472 573726007 /nfs/dbraw/zinc/72/60/07/573726007.db2.gz SCZJALCVKOKRKS-UHFFFAOYSA-N 0 0 158.588 1.126 10 0 ADAERN Cc1cc(CCON)c(C)cc1F 258108515 573725919 /nfs/dbraw/zinc/72/59/19/573725919.db2.gz PIFSBSFBIDHYRJ-UHFFFAOYSA-N 0 0 183.226 1.875 10 0 ADAERN CC(C)C[C@@H]1CNC(=O)O1 83967611 573725934 /nfs/dbraw/zinc/72/59/34/573725934.db2.gz XQXWPOGZOLVNLA-ZCFIWIBFSA-N 0 0 143.186 1.141 10 0 ADAERN C[C@@]12CC[C@@H]1CCC2=O 142996147 573725952 /nfs/dbraw/zinc/72/59/52/573725952.db2.gz RDPYRVKMKNWRMD-POYBYMJQSA-N 0 0 124.183 1.766 10 0 ADAERN C[C@@H]1CCC[C@@]2(CNC(=O)O2)[C@@H]1C 83967345 573725969 /nfs/dbraw/zinc/72/59/69/573725969.db2.gz FIRSYTOCCSBZQD-NQMVMOMDSA-N 0 0 183.251 1.921 10 0 ADAERN CC[C@H]1CC[C@]2(CNC(=O)O2)C1 83967359 573725979 /nfs/dbraw/zinc/72/59/79/573725979.db2.gz UCRWARSHDIVIQQ-IONNQARKSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@@H]1CC[C@@]2(CNC(=O)O2)C1 83967595 573726014 /nfs/dbraw/zinc/72/60/14/573726014.db2.gz HIDSLXVKITUGGT-SVRRBLITSA-N 0 0 155.197 1.285 10 0 ADAERN CC(C)C[C@@H]1C=C(C(=O)[O-])CC[N@@H+]1C 257857789 573726016 /nfs/dbraw/zinc/72/60/16/573726016.db2.gz QICQZOZNKWWCIU-SNVBAGLBSA-N 0 0 197.278 1.748 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)c1ccccn1 238059277 573726022 /nfs/dbraw/zinc/72/60/22/573726022.db2.gz KNFSRUQNJYMVGP-QOHYJFSASA-N 0 0 179.219 1.052 10 0 ADAERN OC[C@H](F)c1ccc(O)cc1 108283526 573726033 /nfs/dbraw/zinc/72/60/33/573726033.db2.gz OXNHYTJCZONSMU-QMMMGPOBSA-N 0 0 156.156 1.395 10 0 ADAERN C1=C(c2ncnc3[nH]cnc23)OCC1 238057226 573726046 /nfs/dbraw/zinc/72/60/46/573726046.db2.gz XRYYTHUNECAVDE-UHFFFAOYSA-N 0 0 188.190 1.114 10 0 ADAERN CCCCC[C@H]1CNC(=O)O1 83967562 573726058 /nfs/dbraw/zinc/72/60/58/573726058.db2.gz NDPVFPWSTYJGQI-ZETCQYMHSA-N 0 0 157.213 1.675 10 0 ADAERN CC[C@H]1[C@@H](CC(=O)[O-])C2CC[NH+]1CC2 258107468 573726060 /nfs/dbraw/zinc/72/60/60/573726060.db2.gz OKHBIJYRAORZLO-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN COc1cc(C)cc(CCCO)c1O 258108703 573726067 /nfs/dbraw/zinc/72/60/67/573726067.db2.gz PKWIUMVBADJCOC-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN CC(C)C[C@@H](O)[C@@H]1CSCCO1 86986606 573726090 /nfs/dbraw/zinc/72/60/90/573726090.db2.gz LSLFJGKOKDFPEX-BDAKNGLRSA-N 0 0 190.308 1.525 10 0 ADAERN CC(=O)C1(OC=O)CCCCC1 238057384 573726091 /nfs/dbraw/zinc/72/60/91/573726091.db2.gz YRVNEUPYXNFOSM-UHFFFAOYSA-N 0 0 170.208 1.451 10 0 ADAERN OCCCc1c(O)ccc2c1OCO2 258106347 573726092 /nfs/dbraw/zinc/72/60/92/573726092.db2.gz PFESWCNUQBIOSB-UHFFFAOYSA-N 0 0 196.202 1.046 10 0 ADAERN CC[C@@H]1C[C@]2(CCO1)CNC(=O)O2 83967395 573726093 /nfs/dbraw/zinc/72/60/93/573726093.db2.gz DKWZVTTYZYOOEQ-VXNVDRBHSA-N 0 0 185.223 1.054 10 0 ADAERN O[C@H](CC1CC1)[C@H]1CSCCO1 86986325 573727650 /nfs/dbraw/zinc/72/76/50/573727650.db2.gz ISSOOSFEUMMYJI-RKDXNWHRSA-N 0 0 188.292 1.279 10 0 ADAERN C[C@H](c1ccccc1)[C@H]1CNC(=O)O1 83967464 573726116 /nfs/dbraw/zinc/72/61/16/573726116.db2.gz CFMCTTIKORFPRY-PSASIEDQSA-N 0 0 191.230 1.899 10 0 ADAERN C[N@@H+]1CC[C@H]([C@@](C)(F)CC(=O)[O-])C1 257857657 573726119 /nfs/dbraw/zinc/72/61/19/573726119.db2.gz QGCASHPSKIGHIP-CBAPKCEASA-N 0 0 189.230 1.141 10 0 ADAERN CC(C)c1cnc2ncc(CO)n2c1 257858388 573726133 /nfs/dbraw/zinc/72/61/33/573726133.db2.gz QJPDDFZMLVAOSU-UHFFFAOYSA-N 0 0 191.234 1.345 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12CNC(=O)O2 83967623 573726135 /nfs/dbraw/zinc/72/61/35/573726135.db2.gz VXQANRMUJGEAIO-KHQFGBGNSA-N 0 0 183.251 1.921 10 0 ADAERN CCN(Cc1nnsc1N)C1CC1 50812607 573726142 /nfs/dbraw/zinc/72/61/42/573726142.db2.gz RHZHASVEXRUSBA-UHFFFAOYSA-N 0 0 198.295 1.105 10 0 ADAERN CCCc1nc(C[C@H](C)O)co1 258106444 573726167 /nfs/dbraw/zinc/72/61/67/573726167.db2.gz NUAMVDBWCVNBIE-ZETCQYMHSA-N 0 0 169.224 1.550 10 0 ADAERN C/C=C/[C@H](O)[C@](C)(O)c1ccccn1 238059897 573726168 /nfs/dbraw/zinc/72/61/68/573726168.db2.gz UZMFQMVBEQVJFX-YBGSMITQSA-N 0 0 193.246 1.226 10 0 ADAERN Cc1ccc2c(c1)[C@H](CON)CO2 258109277 573726173 /nfs/dbraw/zinc/72/61/73/573726173.db2.gz OLADIMAIAAMHTR-QMMMGPOBSA-N 0 0 179.219 1.361 10 0 ADAERN O=C(c1ccoc1)[C@@H]1CSCCO1 86985881 573726181 /nfs/dbraw/zinc/72/61/81/573726181.db2.gz ZHQRTPPXGUWYGD-QMMMGPOBSA-N 0 0 198.243 1.594 10 0 ADAERN C[C@H]1CCC[C@@]12CNC(=O)O2 83967558 573726182 /nfs/dbraw/zinc/72/61/82/573726182.db2.gz HBKYDRWRKMXWRP-POYBYMJQSA-N 0 0 155.197 1.285 10 0 ADAERN COc1c(F)cccc1C1(O)CC1 258108523 573726183 /nfs/dbraw/zinc/72/61/83/573726183.db2.gz PIGFSZBQRYBQOW-UHFFFAOYSA-N 0 0 182.194 1.816 10 0 ADAERN O=C(C1CC1)[C@@H]1CSCCO1 86986068 573726194 /nfs/dbraw/zinc/72/61/94/573726194.db2.gz TTWLFDHZZHVTOE-ZETCQYMHSA-N 0 0 172.249 1.098 10 0 ADAERN CC[C@@H](C)[C@H]1CNC(=O)O1 83967335 573726199 /nfs/dbraw/zinc/72/61/99/573726199.db2.gz YYLCUPXFNDIREZ-PHDIDXHHSA-N 0 0 143.186 1.141 10 0 ADAERN C=Cc1nc([C@H]2CSCCO2)no1 86985944 573726202 /nfs/dbraw/zinc/72/62/02/573726202.db2.gz BUUZTDYMRWSSFL-ZCFIWIBFSA-N 0 0 198.247 1.517 10 0 ADAERN COC(=O)c1c(N)cccc1[C@H](C)O 258108560 573726210 /nfs/dbraw/zinc/72/62/10/573726210.db2.gz PIQRRADPZHSUDB-LURJTMIESA-N 0 0 195.218 1.109 10 0 ADAERN CC[C@]1(C2CC2)CNC(=O)O1 83967591 573726728 /nfs/dbraw/zinc/72/67/28/573726728.db2.gz AUUDSHXXRDSFAJ-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN COc1n[nH]c(C(C)(C)C)c1CO 257857989 573726222 /nfs/dbraw/zinc/72/62/22/573726222.db2.gz AZFQJBKEYHYYLE-UHFFFAOYSA-N 0 0 184.239 1.208 10 0 ADAERN CC(=O)N[C@@H]1C(C)=N[C@@H]2CCCC[C@H]12 238057673 573726233 /nfs/dbraw/zinc/72/62/33/573726233.db2.gz CEKXUUWEPNFWAP-HBNTYKKESA-N 0 0 194.278 1.524 10 0 ADAERN COCCc1nc2n(n1)CCC[C@H]2C 258106144 573726240 /nfs/dbraw/zinc/72/62/40/573726240.db2.gz BYZFDQJBGUDPQL-MRVPVSSYSA-N 0 0 195.266 1.364 10 0 ADAERN Cc1c(F)ccc(CNO)c1F 258107832 573726248 /nfs/dbraw/zinc/72/62/48/573726248.db2.gz YOTPHJTUMIZJHT-UHFFFAOYSA-N 0 0 173.162 1.752 10 0 ADAERN C[C@@H](c1ccccc1)[C@H]1CNC(=O)O1 83967463 573726251 /nfs/dbraw/zinc/72/62/51/573726251.db2.gz CFMCTTIKORFPRY-WCBMZHEXSA-N 0 0 191.230 1.899 10 0 ADAERN Cc1cc(-c2c[nH]nc2N)ccc1O 258106245 573726271 /nfs/dbraw/zinc/72/62/71/573726271.db2.gz PDQOAOLOCHQJTR-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN C[C@H]1CCCC12C(=O)CCC2=O 238485974 573726279 /nfs/dbraw/zinc/72/62/79/573726279.db2.gz JKQDVDPWVXKRTI-ZETCQYMHSA-N 0 0 166.220 1.725 10 0 ADAERN C/C=C/[C@H](O)[C@@](C)(O)c1cccnc1 238058344 573726280 /nfs/dbraw/zinc/72/62/80/573726280.db2.gz BGALDLZGCIJJMS-UTSBZEJYSA-N 0 0 193.246 1.226 10 0 ADAERN CCC[C@H](C)[C@H]1CNC(=O)O1 83967622 573726296 /nfs/dbraw/zinc/72/62/96/573726296.db2.gz ZZKNSRBHEGTIDN-NKWVEPMBSA-N 0 0 157.213 1.531 10 0 ADAERN C[C@H]([NH3+])c1ncc2cccc(F)c2n1 257858367 573726297 /nfs/dbraw/zinc/72/62/97/573726297.db2.gz QJHFAJHKFQLYRU-LURJTMIESA-N 0 0 191.209 1.789 10 0 ADAERN CCC[C@@H](C)[C@H]1CNC(=O)O1 83967621 573726308 /nfs/dbraw/zinc/72/63/08/573726308.db2.gz ZZKNSRBHEGTIDN-RNFRBKRXSA-N 0 0 157.213 1.531 10 0 ADAERN C[C@H]1OC(=O)CC[C@]1(C)CCO 238485964 573726318 /nfs/dbraw/zinc/72/63/18/573726318.db2.gz SKMHFRSAUANFGQ-VXNVDRBHSA-N 0 0 172.224 1.101 10 0 ADAERN COCc1cccc([C@@H](C)O)c1 83968730 573726321 /nfs/dbraw/zinc/72/63/21/573726321.db2.gz MHPFPTAMSYECHP-MRVPVSSYSA-N 0 0 166.220 1.886 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)c1ccncc1 238059369 573726340 /nfs/dbraw/zinc/72/63/40/573726340.db2.gz QJCSWGDEFMSBRM-MDCNRGEUSA-N 0 0 179.219 1.052 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H]1CSCCO1 86986194 573726358 /nfs/dbraw/zinc/72/63/58/573726358.db2.gz OATOJBZYJPSZGA-JGVFFNPUSA-N 0 0 190.308 1.525 10 0 ADAERN C[C@H](O)c1ccc(-n2ccnn2)cc1 258106402 573726363 /nfs/dbraw/zinc/72/63/63/573726363.db2.gz PGXSDKUQCIHJBL-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN Nc1ccc(-c2nccs2)c(N)c1 144836172 573726370 /nfs/dbraw/zinc/72/63/70/573726370.db2.gz JQXYEVSNCCXWFE-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN CN1CCCc2c(CON)cccc21 258106384 573726377 /nfs/dbraw/zinc/72/63/77/573726377.db2.gz PGKHSXQXIXYQGO-UHFFFAOYSA-N 0 0 192.262 1.459 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)/C(C)=C/C 238057537 573726381 /nfs/dbraw/zinc/72/63/81/573726381.db2.gz SMMQPUPNUKVYEC-FPQCLNLHSA-N 0 0 156.225 1.251 10 0 ADAERN C[N@@H+]1CC[C@@H]([C@@](C)(F)CC(=O)[O-])C1 257857655 573726386 /nfs/dbraw/zinc/72/63/86/573726386.db2.gz QGCASHPSKIGHIP-APPZFPTMSA-N 0 0 189.230 1.141 10 0 ADAERN NOCc1ccccc1N1CCCC1 258106409 573726389 /nfs/dbraw/zinc/72/63/89/573726389.db2.gz PHPUZWSILDTXGR-UHFFFAOYSA-N 0 0 192.262 1.677 10 0 ADAERN COCc1cccc(CCO)c1 83968322 573726401 /nfs/dbraw/zinc/72/64/01/573726401.db2.gz DIPVOGRQZQHZDE-UHFFFAOYSA-N 0 0 166.220 1.368 10 0 ADAERN C/C=C/[C@H](O)[C@@](C)(O)c1ccccn1 238058310 573726408 /nfs/dbraw/zinc/72/64/08/573726408.db2.gz UZMFQMVBEQVJFX-LUSJXZINSA-N 0 0 193.246 1.226 10 0 ADAERN CC[C@@H](C)[C@@]1(C)CNC(=O)O1 83967212 573726409 /nfs/dbraw/zinc/72/64/09/573726409.db2.gz WRSVLBZEDTXQNP-HTRCEHHLSA-N 0 0 157.213 1.531 10 0 ADAERN CC[C@]1(C(C)C)CNC(=O)O1 83967201 573726417 /nfs/dbraw/zinc/72/64/17/573726417.db2.gz QVINLYLNWXAMIP-MRVPVSSYSA-N 0 0 157.213 1.531 10 0 ADAERN OCCCc1ccc(C2COC2)cc1 258106388 573726437 /nfs/dbraw/zinc/72/64/37/573726437.db2.gz PGTAGWXYSUKMGL-UHFFFAOYSA-N 0 0 192.258 1.725 10 0 ADAERN Cc1[nH]c(=O)ccc1[Si](C)(C)C 238485874 573726458 /nfs/dbraw/zinc/72/64/58/573726458.db2.gz HUICSTQRWPNMEX-UHFFFAOYSA-N 0 0 181.311 1.229 10 0 ADAERN CCO[C@H]1CNc2ccccc2O1 75883376 573726459 /nfs/dbraw/zinc/72/64/59/573726459.db2.gz LYSHUQCICCMZGO-SNVBAGLBSA-N 0 0 179.219 1.854 10 0 ADAERN Cc1[nH]c(=O)cc2c1CCCCC2 238485793 573726465 /nfs/dbraw/zinc/72/64/65/573726465.db2.gz IICGXIOOBDTACQ-UHFFFAOYSA-N 0 0 177.247 1.952 10 0 ADAERN CCC(CC)[C@@H]1CNC(=O)O1 83967555 573726466 /nfs/dbraw/zinc/72/64/66/573726466.db2.gz QJKCDNOKAXXRNL-ZETCQYMHSA-N 0 0 157.213 1.531 10 0 ADAERN CC[C@@]1(C)C[C@]2(CCO1)CNC(=O)O2 83967458 573726471 /nfs/dbraw/zinc/72/64/71/573726471.db2.gz FJQFDLVLMVFJBK-VHSXEESVSA-N 0 0 199.250 1.444 10 0 ADAERN C[C@H](c1ccccc1)[C@@H]1CNC(=O)O1 83967462 573726478 /nfs/dbraw/zinc/72/64/78/573726478.db2.gz CFMCTTIKORFPRY-SCZZXKLOSA-N 0 0 191.230 1.899 10 0 ADAERN OC1(Cc2ccc3oncc3c2)CC1 258108784 573726480 /nfs/dbraw/zinc/72/64/80/573726480.db2.gz PMYQWGRHHDKZEP-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN CCO[C@@H]1CNc2ccccc2O1 75883375 573726486 /nfs/dbraw/zinc/72/64/86/573726486.db2.gz LYSHUQCICCMZGO-JTQLQIEISA-N 0 0 179.219 1.854 10 0 ADAERN Cc1[nH]c(=O)cnc1-c1ccccc1 238485951 573726491 /nfs/dbraw/zinc/72/64/91/573726491.db2.gz OXPMEDBNOJEUQX-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CC(=O)C/C=C/[C@H](O)C(C)C 143041933 573726501 /nfs/dbraw/zinc/72/65/01/573726501.db2.gz QTYSWEQXACZHKS-DNQSNQRASA-N 0 0 156.225 1.539 10 0 ADAERN COc1cc([C@H](C)CO)cc(C)c1O 258106415 573726507 /nfs/dbraw/zinc/72/65/07/573726507.db2.gz PHWBMKJAXXQQQE-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN CCC[C@H]1C[C@@]2(CCO1)CNC(=O)O2 83967319 573726511 /nfs/dbraw/zinc/72/65/11/573726511.db2.gz MZFQMFYFTKTOFE-WPRPVWTQSA-N 0 0 199.250 1.444 10 0 ADAERN CC[C@@H]1[C@@H](CC(=O)[O-])C2CC[NH+]1CC2 258107472 573726512 /nfs/dbraw/zinc/72/65/12/573726512.db2.gz OKHBIJYRAORZLO-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1cc(O)ccc1[C@H]1CNC(=O)C1 238485917 573726522 /nfs/dbraw/zinc/72/65/22/573726522.db2.gz YJLQFFUGLSPGEL-MRVPVSSYSA-N 0 0 191.230 1.304 10 0 ADAERN C[C@@H]([NH3+])c1ncc2cccc(F)c2n1 257858369 573726524 /nfs/dbraw/zinc/72/65/24/573726524.db2.gz QJHFAJHKFQLYRU-ZCFIWIBFSA-N 0 0 191.209 1.789 10 0 ADAERN CC(=O)N[C@@H]1[C@H]2C=CC=CC[C@@H]21 238057488 573726540 /nfs/dbraw/zinc/72/65/40/573726540.db2.gz DTWQBBFLYQXTCY-LPEHRKFASA-N 0 0 163.220 1.253 10 0 ADAERN NOCc1ccc2ccncc2c1 258107863 573726545 /nfs/dbraw/zinc/72/65/45/573726545.db2.gz YOWQSTRKKPJSLJ-UHFFFAOYSA-N 0 0 174.203 1.625 10 0 ADAERN Cc1cc(F)ccc1[C@@H]1CNC(=O)O1 83967494 573726561 /nfs/dbraw/zinc/72/65/61/573726561.db2.gz UOXSNXMGYCUXPF-VIFPVBQESA-N 0 0 195.193 1.915 10 0 ADAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](O)OC2 223359451 573727665 /nfs/dbraw/zinc/72/76/65/573727665.db2.gz KGXPIWYENLFRGE-QXFUBDJGSA-N 0 0 170.252 1.778 10 0 ADAERN CCC[C@H](O)[C@@H]1CSCCO1 86986182 573726572 /nfs/dbraw/zinc/72/65/72/573726572.db2.gz WCTQLNJZKDIKOJ-YUMQZZPRSA-N 0 0 176.281 1.279 10 0 ADAERN OC[C@H](F)c1ccccc1O 108283516 573726576 /nfs/dbraw/zinc/72/65/76/573726576.db2.gz VPOSJVBUMWBPBN-ZETCQYMHSA-N 0 0 156.156 1.395 10 0 ADAERN Cc1cc(C)c([C@@H]2CCC(=O)N2)[nH]1 238485950 573726577 /nfs/dbraw/zinc/72/65/77/573726577.db2.gz OSOXDOSCZFDNFP-QMMMGPOBSA-N 0 0 178.235 1.583 10 0 ADAERN C[C@@H]1CCCC[C@]12CNC(=O)O2 83967565 573726581 /nfs/dbraw/zinc/72/65/81/573726581.db2.gz OUJPKAFVMOLWNK-APPZFPTMSA-N 0 0 169.224 1.675 10 0 ADAERN COC(C)(C)C[C@]1(C)CNC(=O)O1 83967296 573726612 /nfs/dbraw/zinc/72/66/12/573726612.db2.gz PRAWKXJNDPLSRB-SECBINFHSA-N 0 0 187.239 1.300 10 0 ADAERN CCCC1(O)C[NH+](CCCCF)C1 393557414 573726629 /nfs/dbraw/zinc/72/66/29/573726629.db2.gz RUOBQWGPTGNZRC-UHFFFAOYSA-N 0 0 189.274 1.583 10 0 ADAERN COC(C)(C)C[C@@]1(C)CNC(=O)O1 83967294 573726632 /nfs/dbraw/zinc/72/66/32/573726632.db2.gz PRAWKXJNDPLSRB-VIFPVBQESA-N 0 0 187.239 1.300 10 0 ADAERN CCc1nc(C)c(CO)c(C)n1 258110187 573733308 /nfs/dbraw/zinc/73/33/08/573733308.db2.gz VNQZRNLFGOWPOI-UHFFFAOYSA-N 0 0 166.224 1.148 10 0 ADAERN CC(=O)C1(C(C)=O)CCC[C@@H]1C 238485945 573726669 /nfs/dbraw/zinc/72/66/69/573726669.db2.gz ZKBLOPUFHUVSHW-ZETCQYMHSA-N 0 0 168.236 1.971 10 0 ADAERN C[C@@H]1C[C@H]2CCCC(O)=C2C1=O 238485810 573726676 /nfs/dbraw/zinc/72/66/76/573726676.db2.gz AIBIWUIYYVNRFP-ZXFLCMHBSA-N 0 0 166.220 1.581 10 0 ADAERN OC[C@@H]1C[C@H]1c1ncc(Cl)s1 223347158 573726690 /nfs/dbraw/zinc/72/66/90/573726690.db2.gz TXNLYEIYWSVAOQ-CRCLSJGQSA-N 0 0 189.667 1.892 10 0 ADAERN CC(C)(F)c1cn[nH]c1 257858332 573726691 /nfs/dbraw/zinc/72/66/91/573726691.db2.gz UTJRODCOMUOOQD-UHFFFAOYSA-N 0 0 128.150 1.614 10 0 ADAERN COC(=O)c1c(N)cccc1[C@@H](C)O 258108565 573727670 /nfs/dbraw/zinc/72/76/70/573727670.db2.gz PIQRRADPZHSUDB-ZCFIWIBFSA-N 0 0 195.218 1.109 10 0 ADAERN OC[C@H](F)c1ccc(F)cc1 108284251 573726708 /nfs/dbraw/zinc/72/67/08/573726708.db2.gz YEECDWZZPFJEHI-QMMMGPOBSA-N 0 0 158.147 1.829 10 0 ADAERN C/C=C(/C)CC[C@@H](O)CO 238060169 573726720 /nfs/dbraw/zinc/72/67/20/573726720.db2.gz JDWOJUJAQOCSLX-LSFDQVSLSA-N 0 0 144.214 1.086 10 0 ADAERN Cc1cc(=O)[nH]c(CO)c1C(F)F 238487835 573727674 /nfs/dbraw/zinc/72/76/74/573727674.db2.gz QOBAYTMFJYJFTL-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN C[NH2+]C[C@H](O)c1oc(C2CC2)nc1C 257858365 573726751 /nfs/dbraw/zinc/72/67/51/573726751.db2.gz QJCVAMREXFKJDM-QMMMGPOBSA-N 0 0 196.250 1.113 10 0 ADAERN C[C@@H]1CCc2cc(CON)ccc2O1 258108599 573726780 /nfs/dbraw/zinc/72/67/80/573726780.db2.gz PIYFSPZCJNVJOD-MRVPVSSYSA-N 0 0 193.246 1.790 10 0 ADAERN BrC1=NO[C@@H](C2CC2)C1 257857822 573726791 /nfs/dbraw/zinc/72/67/91/573726791.db2.gz QIODDYXBLVNVSD-RXMQYKEDSA-N 0 0 190.040 1.894 10 0 ADAERN COC(=O)c1ccc(CON)c(F)c1 258108375 573726796 /nfs/dbraw/zinc/72/67/96/573726796.db2.gz LBEPNDGWXFPHPT-UHFFFAOYSA-N 0 0 199.181 1.003 10 0 ADAERN O=C1NC[C@H](CCc2ccccc2)O1 83967249 573726829 /nfs/dbraw/zinc/72/68/29/573726829.db2.gz FWQHCSVFBMLVDE-JTQLQIEISA-N 0 0 191.230 1.728 10 0 ADAERN CC[C@@H](C)[C@@H]1CNC(=O)O1 83967332 573726836 /nfs/dbraw/zinc/72/68/36/573726836.db2.gz YYLCUPXFNDIREZ-RITPCOANSA-N 0 0 143.186 1.141 10 0 ADAERN C[C@H]1Cc2ccccc2[C@H](O)O1 238485905 573726839 /nfs/dbraw/zinc/72/68/39/573726839.db2.gz NSALHENVNTWQSC-OIBJUYFYSA-N 0 0 164.204 1.639 10 0 ADAERN O=C1NC[C@@H](CCc2ccccc2)O1 83967246 573726842 /nfs/dbraw/zinc/72/68/42/573726842.db2.gz FWQHCSVFBMLVDE-SNVBAGLBSA-N 0 0 191.230 1.728 10 0 ADAERN CO[C@@H](C)Cc1ccc(CON)cc1 258106224 573726846 /nfs/dbraw/zinc/72/68/46/573726846.db2.gz PDBTYXHXZSBKCN-VIFPVBQESA-N 0 0 195.262 1.654 10 0 ADAERN Cc1[nH]nc(C(F)(F)F)c1C(N)=[NH2+] 75893319 573726847 /nfs/dbraw/zinc/72/68/47/573726847.db2.gz ORCOPZAZEXXWOQ-UHFFFAOYSA-N 0 0 192.144 1.021 10 0 ADAERN C[C@H]1OC(=O)CC[C@@]1(C)CCO 238485882 573726848 /nfs/dbraw/zinc/72/68/48/573726848.db2.gz SKMHFRSAUANFGQ-APPZFPTMSA-N 0 0 172.224 1.101 10 0 ADAERN O=C1NC[C@@H](c2cccc(F)c2F)O1 83967252 573726852 /nfs/dbraw/zinc/72/68/52/573726852.db2.gz MXVDJDKBCCAUAB-ZETCQYMHSA-N 0 0 199.156 1.746 10 0 ADAERN C[NH2+]CN(C)c1ccc(F)c(F)c1 258893886 573726869 /nfs/dbraw/zinc/72/68/69/573726869.db2.gz NFWKVGQEYZHJKX-UHFFFAOYSA-N 0 0 186.205 1.578 10 0 ADAERN CC[C@H](C)[C@@H]1CNC(=O)O1 83967334 573726924 /nfs/dbraw/zinc/72/69/24/573726924.db2.gz YYLCUPXFNDIREZ-WDSKDSINSA-N 0 0 143.186 1.141 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)c1cccnc1 238059306 573726925 /nfs/dbraw/zinc/72/69/25/573726925.db2.gz BGWJLCHPSIMGBG-VBWGBGESSA-N 0 0 179.219 1.052 10 0 ADAERN CC[C@@H]1[C@H](CC(=O)[O-])C2CC[NH+]1CC2 258107462 573726926 /nfs/dbraw/zinc/72/69/26/573726926.db2.gz OKHBIJYRAORZLO-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN Cn1ncnc1C[C@H]1CCCCC1=O 83971822 573727690 /nfs/dbraw/zinc/72/76/90/573727690.db2.gz AJVDSPMLMKNHJM-MRVPVSSYSA-N 0 0 193.250 1.117 10 0 ADAERN CC(C)c1nc2n(n1)[C@@H](O)CCC2 258106317 573726935 /nfs/dbraw/zinc/72/69/35/573726935.db2.gz CAJSXLPERCJMRL-QMMMGPOBSA-N 0 0 181.239 1.229 10 0 ADAERN Cc1c(N)ccc2c1CC(=O)N2C 257857698 573726939 /nfs/dbraw/zinc/72/69/39/573726939.db2.gz BBGGYUJKTAVOBV-UHFFFAOYSA-N 0 0 176.219 1.096 10 0 ADAERN C[C@H]1CCCC[C@]12CNC(=O)O2 83967566 573726951 /nfs/dbraw/zinc/72/69/51/573726951.db2.gz OUJPKAFVMOLWNK-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN CC(C)(C)c1nc2c([nH]1)CCC2=O 143067946 573726954 /nfs/dbraw/zinc/72/69/54/573726954.db2.gz BDCQFDKEVJWUFT-UHFFFAOYSA-N 0 0 178.235 1.836 10 0 ADAERN O[C@H](C1CC1)[C@H]1CSCCS1 86983214 573726960 /nfs/dbraw/zinc/72/69/60/573726960.db2.gz OHWRSANITSUJRW-HTQZYQBOSA-N 0 0 190.333 1.606 10 0 ADAERN C[C@H](CO)c1cccc2c1CCO2 257858096 573726980 /nfs/dbraw/zinc/72/69/80/573726980.db2.gz GDRFDLOVULICLZ-MRVPVSSYSA-N 0 0 178.231 1.717 10 0 ADAERN Cc1[nH]c(=O)sc1-c1cscn1 238487338 573727696 /nfs/dbraw/zinc/72/76/96/573727696.db2.gz YGNKPCUYYOFINN-UHFFFAOYSA-N 0 0 198.272 1.868 10 0 ADAERN CC(C)(C)NC(=O)C1(O)CCCCC1 143039427 573727012 /nfs/dbraw/zinc/72/70/12/573727012.db2.gz JHDCEERTGPMVPH-UHFFFAOYSA-N 0 0 199.294 1.596 10 0 ADAERN CCC[C@H](O)[C@H]1CSCCO1 86986184 573727025 /nfs/dbraw/zinc/72/70/25/573727025.db2.gz WCTQLNJZKDIKOJ-JGVFFNPUSA-N 0 0 176.281 1.279 10 0 ADAERN CC(=O)C1(C)OCCCCO1 238056313 573727048 /nfs/dbraw/zinc/72/70/48/573727048.db2.gz DIUVFFWQJZPIGZ-UHFFFAOYSA-N 0 0 158.197 1.119 10 0 ADAERN COCCc1nc2n(n1)CCC[C@@H]2C 258106145 573727064 /nfs/dbraw/zinc/72/70/64/573727064.db2.gz BYZFDQJBGUDPQL-QMMMGPOBSA-N 0 0 195.266 1.364 10 0 ADAERN COCc1ccccc1[C@@H](C)O 83969178 573727065 /nfs/dbraw/zinc/72/70/65/573727065.db2.gz SIZGGCFLBVMLAI-MRVPVSSYSA-N 0 0 166.220 1.886 10 0 ADAERN C[C@@H]1CCC[C@]12CNC(=O)O2 83967559 573727066 /nfs/dbraw/zinc/72/70/66/573727066.db2.gz HBKYDRWRKMXWRP-SVRRBLITSA-N 0 0 155.197 1.285 10 0 ADAERN O=C(c1ccco1)[C@H]1CSCCO1 86985838 573727075 /nfs/dbraw/zinc/72/70/75/573727075.db2.gz HSLTUTRFZQTOCK-MRVPVSSYSA-N 0 0 198.243 1.594 10 0 ADAERN O=C(CC1CC1)[C@H]1CSCCO1 86985776 573727121 /nfs/dbraw/zinc/72/71/21/573727121.db2.gz AVGGEZHPXWEFOB-SECBINFHSA-N 0 0 186.276 1.488 10 0 ADAERN CC(=O)c1ncnc2c(F)cccc12 257858382 573727122 /nfs/dbraw/zinc/72/71/22/573727122.db2.gz QJMJWCALETUJMZ-UHFFFAOYSA-N 0 0 190.177 1.972 10 0 ADAERN COCc1ccccc1[C@@H]1CC(=O)N1 83969336 573727089 /nfs/dbraw/zinc/72/70/89/573727089.db2.gz PGFQJXVJCLCKHX-JTQLQIEISA-N 0 0 191.230 1.394 10 0 ADAERN CC(=O)C(=O)NCCC1CCCC1 258891905 573727093 /nfs/dbraw/zinc/72/70/93/573727093.db2.gz HUIIJGWKURPUKA-UHFFFAOYSA-N 0 0 183.251 1.272 10 0 ADAERN CCC[C@H]1C[C@]2(CCO1)CNC(=O)O2 83967322 573727094 /nfs/dbraw/zinc/72/70/94/573727094.db2.gz MZFQMFYFTKTOFE-WCBMZHEXSA-N 0 0 199.250 1.444 10 0 ADAERN CCOC(=N)[C@@H]1CSCCS1 86985097 573727135 /nfs/dbraw/zinc/72/71/35/573727135.db2.gz DAMVQJUNHZDDSP-LURJTMIESA-N 0 0 191.321 1.849 10 0 ADAERN COCc1ccc2c(c1)C(=O)CC2 83969791 573727139 /nfs/dbraw/zinc/72/71/39/573727139.db2.gz RUYHPBBVOTYGOR-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN CC[C@@]1(C)C[C@@]2(CCO1)CNC(=O)O2 83967456 573727146 /nfs/dbraw/zinc/72/71/46/573727146.db2.gz FJQFDLVLMVFJBK-UWVGGRQHSA-N 0 0 199.250 1.444 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)c1ccc(O)cc1 238057653 573727154 /nfs/dbraw/zinc/72/71/54/573727154.db2.gz URVWSNXWVXZUDP-ZNRGBCAMSA-N 0 0 194.230 1.363 10 0 ADAERN CCC[C@H](C)[C@@H]1CNC(=O)O1 83967620 573727161 /nfs/dbraw/zinc/72/71/61/573727161.db2.gz ZZKNSRBHEGTIDN-BQBZGAKWSA-N 0 0 157.213 1.531 10 0 ADAERN CCC(CC)n1cc(C(C)=O)nn1 393557329 573727163 /nfs/dbraw/zinc/72/71/63/573727163.db2.gz WVOQZNJDNBHWDA-UHFFFAOYSA-N 0 0 181.239 1.842 10 0 ADAERN CC[C@H](C)[C@H]1CNC(=O)O1 83967336 573727181 /nfs/dbraw/zinc/72/71/81/573727181.db2.gz YYLCUPXFNDIREZ-NTSWFWBYSA-N 0 0 143.186 1.141 10 0 ADAERN CCCc1ccc(NC[NH3+])cc1 258893927 573727182 /nfs/dbraw/zinc/72/71/82/573727182.db2.gz NGVUYIYPRHOOQN-UHFFFAOYSA-N 0 0 164.252 1.967 10 0 ADAERN C[C@@H]1Cc2cccc(O)c2C1=O 144815942 573727185 /nfs/dbraw/zinc/72/71/85/573727185.db2.gz WRDXZYNAEMBLAK-ZCFIWIBFSA-N 0 0 162.188 1.767 10 0 ADAERN COCc1cccc(CC2(O)CC2)c1 258108680 573727189 /nfs/dbraw/zinc/72/71/89/573727189.db2.gz PKQDKCFCNITRQM-UHFFFAOYSA-N 0 0 192.258 1.900 10 0 ADAERN Nc1nc2c(s1)C1(CCC1)OC2=O 144832844 573727200 /nfs/dbraw/zinc/72/72/00/573727200.db2.gz UJLWXASKLSAURM-UHFFFAOYSA-N 0 0 196.231 1.275 10 0 ADAERN c1c[nH]c(-c2ccc3onnc3c2)n1 143050681 573727202 /nfs/dbraw/zinc/72/72/02/573727202.db2.gz JHJKHNKHBWHULT-UHFFFAOYSA-N 0 0 186.174 1.613 10 0 ADAERN CC[C@@H](C)[C@]1(C)CNC(=O)O1 83967206 573727210 /nfs/dbraw/zinc/72/72/10/573727210.db2.gz WRSVLBZEDTXQNP-SVRRBLITSA-N 0 0 157.213 1.531 10 0 ADAERN COCc1ccc([C@@H]2CC(=O)N2)cc1 83970017 573727218 /nfs/dbraw/zinc/72/72/18/573727218.db2.gz FSQKQCIORYGQLT-JTQLQIEISA-N 0 0 191.230 1.394 10 0 ADAERN COCc1cccc2c1CCNC2=O 83969028 573727232 /nfs/dbraw/zinc/72/72/32/573727232.db2.gz NFIJNPCJBSUIBF-UHFFFAOYSA-N 0 0 191.230 1.119 10 0 ADAERN Cc1cc(=O)[nH]c2c(CO)cccc12 238488598 573727355 /nfs/dbraw/zinc/72/73/55/573727355.db2.gz MGBAOMQPWJQJKC-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN CC(=O)CC[C@@]1(O)C[C@@H](C)CO1 238487585 573727269 /nfs/dbraw/zinc/72/72/69/573727269.db2.gz XLEFVQRFKJUJPT-APPZFPTMSA-N 0 0 172.224 1.101 10 0 ADAERN CCOC(C)(C)C[C@H](C)O 144832509 573727284 /nfs/dbraw/zinc/72/72/84/573727284.db2.gz JALWXJSVSFAXSV-ZETCQYMHSA-N 0 0 146.230 1.572 10 0 ADAERN NOCc1c(O)ccc(F)c1F 258107965 573727361 /nfs/dbraw/zinc/72/73/61/573727361.db2.gz YQUSXSUOTJJPCU-UHFFFAOYSA-N 0 0 175.134 1.061 10 0 ADAERN C[NH2+]CN(C)c1ccc(Cl)cc1 258893893 573727340 /nfs/dbraw/zinc/72/73/40/573727340.db2.gz NGADYHFZLLGACA-UHFFFAOYSA-N 0 0 184.670 1.953 10 0 ADAERN CC(C)[C@]1(C)CNC(=O)O1 83967538 573727362 /nfs/dbraw/zinc/72/73/62/573727362.db2.gz IRSCRAVHAFFIPN-ZETCQYMHSA-N 0 0 143.186 1.141 10 0 ADAERN COC(=O)C/C=C\[C@@H]1CCCOC1 258107314 573727351 /nfs/dbraw/zinc/72/73/51/573727351.db2.gz HNGPKKPVCDYEFB-FIFYQCSRSA-N 0 0 184.235 1.532 10 0 ADAERN Cc1ccc2c(c1)C[C@](C)(O)C2=O 238488293 573727387 /nfs/dbraw/zinc/72/73/87/573727387.db2.gz RCOLBCBWBHFTMB-NSHDSACASA-N 0 0 176.215 1.485 10 0 ADAERN CC(C)[C@H]1CCc2[nH]nc(N)c21 108285666 573727402 /nfs/dbraw/zinc/72/74/02/573727402.db2.gz YFUNPSBAHAOWCF-ZCFIWIBFSA-N 0 0 165.240 1.678 10 0 ADAERN COc1ccc(C)c(C[C@@H](C)O)c1O 258106411 573727403 /nfs/dbraw/zinc/72/74/03/573727403.db2.gz PHVPSVOCPSBGKC-MRVPVSSYSA-N 0 0 196.246 1.633 10 0 ADAERN Cc1cc(CO)c(=O)[nH]c1C(F)F 238488000 573727419 /nfs/dbraw/zinc/72/74/19/573727419.db2.gz ZQFWPVDZBFBLRC-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN COc1ccc(C=O)c(C2(O)CC2)c1 258106211 573727423 /nfs/dbraw/zinc/72/74/23/573727423.db2.gz PCYFWDXGFRCQBL-UHFFFAOYSA-N 0 0 192.214 1.489 10 0 ADAERN Cc1nn(C)c(C(F)(F)F)c1C[NH3+] 75893225 573727448 /nfs/dbraw/zinc/72/74/48/573727448.db2.gz LEQBIUXZOADKPY-UHFFFAOYSA-N 0 0 193.172 1.206 10 0 ADAERN O=C1NC[C@@H](c2cccc(F)c2)O1 83967215 573727455 /nfs/dbraw/zinc/72/74/55/573727455.db2.gz BGYDAAMHPQHINN-QMMMGPOBSA-N 0 0 181.166 1.607 10 0 ADAERN CCC[C@@H](O)[C@@H]1CSCCO1 86986183 573727461 /nfs/dbraw/zinc/72/74/61/573727461.db2.gz WCTQLNJZKDIKOJ-SFYZADRCSA-N 0 0 176.281 1.279 10 0 ADAERN O[C@@H](CC1CC1)[C@H]1CSCCO1 86986324 573727704 /nfs/dbraw/zinc/72/77/04/573727704.db2.gz ISSOOSFEUMMYJI-DTWKUNHWSA-N 0 0 188.292 1.279 10 0 ADAERN CN(C)c1cccc2c(N)n[nH]c12 75883913 573727475 /nfs/dbraw/zinc/72/74/75/573727475.db2.gz YNFJPHKGUGEMES-UHFFFAOYSA-N 0 0 176.223 1.211 10 0 ADAERN Cc1[nH]c(=S)n(CCO)c1C 238487934 573727505 /nfs/dbraw/zinc/72/75/05/573727505.db2.gz HQIXWLDAADUDHN-UHFFFAOYSA-N 0 0 172.253 1.155 10 0 ADAERN C[C@H]1Cc2cccc(O)c2C1=O 144816142 573727518 /nfs/dbraw/zinc/72/75/18/573727518.db2.gz WRDXZYNAEMBLAK-LURJTMIESA-N 0 0 162.188 1.767 10 0 ADAERN C[C@]1(O)CCCC[C@@]1(C)CO 238487971 573727523 /nfs/dbraw/zinc/72/75/23/573727523.db2.gz QEWAZEVUOTZLNF-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN CN(C)c1ccc2[nH]nc(N)c2c1 75883912 573727540 /nfs/dbraw/zinc/72/75/40/573727540.db2.gz JXLRHJBXHHQPMN-UHFFFAOYSA-N 0 0 176.223 1.211 10 0 ADAERN CC(=O)Cc1csc(CCCO)n1 258106521 573727546 /nfs/dbraw/zinc/72/75/46/573727546.db2.gz NWHJKVHEADNTID-UHFFFAOYSA-N 0 0 199.275 1.200 10 0 ADAERN C[N@@H+]1CC[C@H]([C@](C)(F)CC(=O)[O-])C1 257857658 573727548 /nfs/dbraw/zinc/72/75/48/573727548.db2.gz QGCASHPSKIGHIP-IONNQARKSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@@H]1C[C@@H]2C(=O)CC[C@@H]2O1 238488384 573727622 /nfs/dbraw/zinc/72/76/22/573727622.db2.gz WGDLNPOBBGKPBE-JKMUOGBPSA-N 0 0 140.182 1.143 10 0 ADAERN COc1c(C)cc(CC(C)=O)cc1O 258108774 573727623 /nfs/dbraw/zinc/72/76/23/573727623.db2.gz PMTLDKMXSHCPQA-UHFFFAOYSA-N 0 0 194.230 1.841 10 0 ADAERN C/C=C/[C@H](O)[C@](C)(O)c1ccccc1 238059866 573727563 /nfs/dbraw/zinc/72/75/63/573727563.db2.gz QGNZEXZMVWDQDU-AKCLXAHESA-N 0 0 192.258 1.831 10 0 ADAERN CC(C)[C@@H](O)[C@@H]1CSCCO1 86986109 573727567 /nfs/dbraw/zinc/72/75/67/573727567.db2.gz UMBGAKOAPJSOEP-JGVFFNPUSA-N 0 0 176.281 1.135 10 0 ADAERN Cc1cc(CO)c(N)c(C(F)F)n1 238487747 573727581 /nfs/dbraw/zinc/72/75/81/573727581.db2.gz UYOXSYPIEQEZRL-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CSCCO1 86985954 573727583 /nfs/dbraw/zinc/72/75/83/573727583.db2.gz OTXPBYLOAACPDP-SSDOTTSWSA-N 0 0 188.292 1.734 10 0 ADAERN CC/C=C(\C)C[N@@H+]1CC[C@H](C(=O)[O-])C1 393557425 573727593 /nfs/dbraw/zinc/72/75/93/573727593.db2.gz SCRYKIDAUSJCMY-LLGDCAAFSA-N 0 0 197.278 1.749 10 0 ADAERN COCc1ccc(CCO)cc1O 258108765 573727614 /nfs/dbraw/zinc/72/76/14/573727614.db2.gz PMOOBHKVFYXXGK-UHFFFAOYSA-N 0 0 182.219 1.073 10 0 ADAERN OC[C@@H]1CCCCCC[C@H]1CO 144763617 573733780 /nfs/dbraw/zinc/73/37/80/573733780.db2.gz WSLMZCIEURWIHN-UWVGGRQHSA-N 0 0 172.268 1.558 10 0 ADAERN COc1cccc([C@@H](F)CO)c1 108288687 573733782 /nfs/dbraw/zinc/73/37/82/573733782.db2.gz NGABXBGEKUCBRL-VIFPVBQESA-N 0 0 170.183 1.698 10 0 ADAERN Cc1ccccc1CC[NH2+]CC(=O)[O-] 83982707 573728860 /nfs/dbraw/zinc/72/88/60/573728860.db2.gz PAJWETIBLRHFJO-UHFFFAOYSA-N 0 0 193.246 1.212 10 0 ADAERN Cc1nccc([C@@H]2CC(=O)CCO2)n1 124976272 573730253 /nfs/dbraw/zinc/73/02/53/573730253.db2.gz WJKIIQLJEJGVGR-JTQLQIEISA-N 0 0 192.218 1.206 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H]1CSCCO1 86986197 573730260 /nfs/dbraw/zinc/73/02/60/573730260.db2.gz OATOJBZYJPSZGA-SFYZADRCSA-N 0 0 190.308 1.525 10 0 ADAERN O=C([O-])[C@H]1[NH2+]CC[C@H]1C1CCCCC1 83983512 573730262 /nfs/dbraw/zinc/73/02/62/573730262.db2.gz FMXXVXZXZFKHRJ-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN O=C1[C@@H]2C[C@@H]2CN1Cc1cccs1 257852490 573730321 /nfs/dbraw/zinc/73/03/21/573730321.db2.gz BJKFYEAGFZNCNN-VXNVDRBHSA-N 0 0 193.271 1.726 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)c1ccc(O)cc1 238059242 573730272 /nfs/dbraw/zinc/73/02/72/573730272.db2.gz URVWSNXWVXZUDP-ZROCKMJXSA-N 0 0 194.230 1.363 10 0 ADAERN CC(C)C[C@H](O)[C@@H]1CSCCO1 86986605 573730275 /nfs/dbraw/zinc/73/02/75/573730275.db2.gz LSLFJGKOKDFPEX-IUCAKERBSA-N 0 0 190.308 1.525 10 0 ADAERN C/C=C/[C@H](O)[C@@H](O)c1ccco1 238057770 573730277 /nfs/dbraw/zinc/73/02/77/573730277.db2.gz LEASQDQUNJIFKN-NRVBUDOTSA-N 0 0 168.192 1.250 10 0 ADAERN CC(C)C[C@H](O)[C@H]1CSCCO1 86986607 573728497 /nfs/dbraw/zinc/72/84/97/573728497.db2.gz LSLFJGKOKDFPEX-DTWKUNHWSA-N 0 0 190.308 1.525 10 0 ADAERN Cc1ccc(CNO)c2c1OCCO2 258106212 573728498 /nfs/dbraw/zinc/72/84/98/573728498.db2.gz PCYJVANNCOJNRN-UHFFFAOYSA-N 0 0 195.218 1.245 10 0 ADAERN C[C@@H]1CC(=O)CC[C@@]12CCCNC2=O 143047550 573728501 /nfs/dbraw/zinc/72/85/01/573728501.db2.gz SEPJXELDEOYLER-KCJUWKMLSA-N 0 0 195.262 1.272 10 0 ADAERN CC(C)(C)C[C@H]1OC[C@@H](CCO)O1 258892014 573728507 /nfs/dbraw/zinc/72/85/07/573728507.db2.gz UVFMVAKWVMKVDG-BDAKNGLRSA-N 0 0 188.267 1.547 10 0 ADAERN Cc1cc(=O)[nH]c(C=O)c1C(F)F 238487542 573728518 /nfs/dbraw/zinc/72/85/18/573728518.db2.gz BFYMJXHMJGJWDY-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN C[C@H](CO)c1cccc2c1CCN2C 257852064 573728520 /nfs/dbraw/zinc/72/85/20/573728520.db2.gz FFWAXVGIHCTBHY-SECBINFHSA-N 0 0 191.274 1.775 10 0 ADAERN C(=C/c1ncon1)\c1cc[nH]c1 143063377 573728541 /nfs/dbraw/zinc/72/85/41/573728541.db2.gz PRPZEVWLQHOWTR-OWOJBTEDSA-N 0 0 161.164 1.568 10 0 ADAERN C/C=C/[C@H](O)[C@](C)(O)c1ccncc1 238059949 573728553 /nfs/dbraw/zinc/72/85/53/573728553.db2.gz KMTUTVIDCYRFPZ-MJKAUQOVSA-N 0 0 193.246 1.226 10 0 ADAERN CC(C)(C)Cc1nc(C=O)no1 258106098 573728574 /nfs/dbraw/zinc/72/85/74/573728574.db2.gz SKBRBQLZBUGNNO-UHFFFAOYSA-N 0 0 168.196 1.471 10 0 ADAERN O=C([O-])[C@H]1[NH2+]CC[C@@H]1C1CCCCC1 83983513 573728578 /nfs/dbraw/zinc/72/85/78/573728578.db2.gz FMXXVXZXZFKHRJ-ZJUUUORDSA-N 0 0 197.278 1.629 10 0 ADAERN CSCCN(C)c1nccc(C)n1 393557386 573728580 /nfs/dbraw/zinc/72/85/80/573728580.db2.gz RIBDGGBFDQAFHT-UHFFFAOYSA-N 0 0 197.307 1.584 10 0 ADAERN CC/C=C(\C)C[N@@H+]1CC[C@@H](C(=O)[O-])C1 393557426 573728587 /nfs/dbraw/zinc/72/85/87/573728587.db2.gz SCRYKIDAUSJCMY-WXLQGSQKSA-N 0 0 197.278 1.749 10 0 ADAERN CC(C)(CO)c1cccc2c[nH]nc12 258108594 573728595 /nfs/dbraw/zinc/72/85/95/573728595.db2.gz PIWKRUCXOBBPLX-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN O[C@@H]1OCC[C@@H]1OCc1ccccc1 143095553 573728596 /nfs/dbraw/zinc/72/85/96/573728596.db2.gz NPFVMZQFFFWAKY-WDEREUQCSA-N 0 0 194.230 1.311 10 0 ADAERN C[C@]1(O)CCCC[C@H](O)CC1 238488093 573728612 /nfs/dbraw/zinc/72/86/12/573728612.db2.gz RHXUMXLEPOIKLP-IUCAKERBSA-N 0 0 158.241 1.453 10 0 ADAERN NOCCc1cccc2ccoc12 258107953 573728634 /nfs/dbraw/zinc/72/86/34/573728634.db2.gz YQPVYGUEWUQCMV-UHFFFAOYSA-N 0 0 177.203 1.866 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)c1ccco1 238059336 573728641 /nfs/dbraw/zinc/72/86/41/573728641.db2.gz LEASQDQUNJIFKN-IFVUSQKOSA-N 0 0 168.192 1.250 10 0 ADAERN Cc1cc(O)ccc1C1(CO)CC1 257852930 573728669 /nfs/dbraw/zinc/72/86/69/573728669.db2.gz SMOPPPGDXPRXQU-UHFFFAOYSA-N 0 0 178.231 1.725 10 0 ADAERN OC1([C@H]2CCCS2)CCC1 258108156 573728673 /nfs/dbraw/zinc/72/86/73/573728673.db2.gz SLLYZBHGHRDZMG-SSDOTTSWSA-N 0 0 158.266 1.797 10 0 ADAERN Cc1ccccc1[C@H]1CC(=O)CN1 258107522 573728679 /nfs/dbraw/zinc/72/86/79/573728679.db2.gz OLCAANMMGYCCFV-LLVKDONJSA-N 0 0 175.231 1.599 10 0 ADAERN O=C(C1CC1)[C@H]1CSCCO1 86986069 573728681 /nfs/dbraw/zinc/72/86/81/573728681.db2.gz TTWLFDHZZHVTOE-SSDOTTSWSA-N 0 0 172.249 1.098 10 0 ADAERN CCCOC(=O)c1nccc(C)n1 308426693 573728684 /nfs/dbraw/zinc/72/86/84/573728684.db2.gz ROFOQIOADFWRHK-UHFFFAOYSA-N 0 0 180.207 1.352 10 0 ADAERN C[NH2+]Cc1nnc(-c2ccco2)s1 83983190 573728688 /nfs/dbraw/zinc/72/86/88/573728688.db2.gz ZVYMSBUMAVHTMC-UHFFFAOYSA-N 0 0 195.247 1.518 10 0 ADAERN CC(C)c1nc2n(n1)[C@H](O)CCC2 258106314 573728694 /nfs/dbraw/zinc/72/86/94/573728694.db2.gz CAJSXLPERCJMRL-MRVPVSSYSA-N 0 0 181.239 1.229 10 0 ADAERN Cc1cnc2c(c1)C(=O)CCO2 238488519 573728698 /nfs/dbraw/zinc/72/86/98/573728698.db2.gz VXTSRIDMZMYTNE-UHFFFAOYSA-N 0 0 163.176 1.355 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@H]1CCCCO1 257851875 573728706 /nfs/dbraw/zinc/72/87/06/573728706.db2.gz PCTACXKNLBFHJJ-HTQZYQBOSA-N 0 0 194.221 1.962 10 0 ADAERN c1nc2ccc(-c3ncon3)cc2[nH]1 143054377 573728766 /nfs/dbraw/zinc/72/87/66/573728766.db2.gz QPJHNFIFDBTKIM-UHFFFAOYSA-N 0 0 186.174 1.613 10 0 ADAERN CC(C)CC(=O)[C@@H]1CSCCO1 86985807 573728771 /nfs/dbraw/zinc/72/87/71/573728771.db2.gz OMCLGAKFKNBBQS-VIFPVBQESA-N 0 0 188.292 1.734 10 0 ADAERN C[C@@H]1C[C@@H]2C(=O)CCC[C@@H]2O1 238488401 573728773 /nfs/dbraw/zinc/72/87/73/573728773.db2.gz PJMGEXVSRUUNGO-BHNWBGBOSA-N 0 0 154.209 1.533 10 0 ADAERN COc1nc(C)c(NC(C)=O)c(C)n1 585278736 573728775 /nfs/dbraw/zinc/72/87/75/573728775.db2.gz NOMYTHWAROEAHA-UHFFFAOYSA-N 0 0 195.222 1.060 10 0 ADAERN Cc1ccc(C)n1CC[C@H](C)O 108286827 573728814 /nfs/dbraw/zinc/72/88/14/573728814.db2.gz KKXFMZZUXUNINB-JTQLQIEISA-N 0 0 167.252 1.876 10 0 ADAERN O=Cc1c[nH]c([C@@H]2CSCCO2)n1 86990790 573728820 /nfs/dbraw/zinc/72/88/20/573728820.db2.gz VOORHJJBRRBIDC-ZETCQYMHSA-N 0 0 198.247 1.027 10 0 ADAERN C[C@@H]1C[C@@H]2C(=O)CC[C@@H]2C1=O 238488367 573728839 /nfs/dbraw/zinc/72/88/39/573728839.db2.gz OTYMDVYCCGTPEO-VQVTYTSYSA-N 0 0 152.193 1.191 10 0 ADAERN COC(=O)[C@H]1CCc2ccc(N)cc21 257852581 573728851 /nfs/dbraw/zinc/72/88/51/573728851.db2.gz PGWPVRPQRGKZNA-VIFPVBQESA-N 0 0 191.230 1.472 10 0 ADAERN CC(=O)C(=O)NCCCC(C)C 258891866 573728853 /nfs/dbraw/zinc/72/88/53/573728853.db2.gz HSRADXVHWXYKAI-UHFFFAOYSA-N 0 0 171.240 1.128 10 0 ADAERN Cc1cnc2c(n1)CCCC2=O 238487797 573728862 /nfs/dbraw/zinc/72/88/62/573728862.db2.gz QFZLCHDIJMCSSH-UHFFFAOYSA-N 0 0 162.192 1.304 10 0 ADAERN C[C@@H]1C[C@H]2OCC[C@@]2(C)C1=O 238488096 573728870 /nfs/dbraw/zinc/72/88/70/573728870.db2.gz YHPDDASBJNIKHL-ZXFLCMHBSA-N 0 0 154.209 1.391 10 0 ADAERN CC[C@](C)(O)Cc1ncnn1C(C)C 83980701 573728871 /nfs/dbraw/zinc/72/88/71/573728871.db2.gz QPKHFTXBQAMIQU-JTQLQIEISA-N 0 0 197.282 1.563 10 0 ADAERN C=Cc1ccc(OC)nc1C=O 143038633 573728888 /nfs/dbraw/zinc/72/88/88/573728888.db2.gz UFVALEHMRGOFOL-UHFFFAOYSA-N 0 0 163.176 1.546 10 0 ADAERN O[C@@H]1CCC[C@@H](n2cccc2)C1 108285619 573728894 /nfs/dbraw/zinc/72/88/94/573728894.db2.gz AVTYFCIGYZLVQI-NXEZZACHSA-N 0 0 165.236 1.964 10 0 ADAERN NOCc1ccc2c(c1F)CCC2 258107943 573728897 /nfs/dbraw/zinc/72/88/97/573728897.db2.gz YQIAAMNJWUVDHB-UHFFFAOYSA-N 0 0 181.210 1.705 10 0 ADAERN O[C@H](CC1CC1)[C@@H]1CSCCO1 86986323 573728898 /nfs/dbraw/zinc/72/88/98/573728898.db2.gz ISSOOSFEUMMYJI-BDAKNGLRSA-N 0 0 188.292 1.279 10 0 ADAERN OCC(F)(F)Cc1cccc(O)c1 257852561 573728903 /nfs/dbraw/zinc/72/89/03/573728903.db2.gz PGARYGPFYYJSEN-UHFFFAOYSA-N 0 0 188.173 1.562 10 0 ADAERN COc1cc([C@@H](C)CO)cc(C)c1O 258106416 573728912 /nfs/dbraw/zinc/72/89/12/573728912.db2.gz PHWBMKJAXXQQQE-QMMMGPOBSA-N 0 0 196.246 1.805 10 0 ADAERN OC[C@H]1CCC[C@H]1C(F)(F)F 108286967 573728914 /nfs/dbraw/zinc/72/89/14/573728914.db2.gz HRAPXOYQCITXRS-PHDIDXHHSA-N 0 0 168.158 1.957 10 0 ADAERN CC(=O)N[C@H]1[C@H]2CC=CC=C[C@H]21 238057519 573728916 /nfs/dbraw/zinc/72/89/16/573728916.db2.gz DTWQBBFLYQXTCY-KXUCPTDWSA-N 0 0 163.220 1.253 10 0 ADAERN COCc1c[nH]c(Br)n1 258108090 573728919 /nfs/dbraw/zinc/72/89/19/573728919.db2.gz IUZPBKFVYGSEKQ-UHFFFAOYSA-N 0 0 191.028 1.319 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)CCNC2=O 238487609 573728952 /nfs/dbraw/zinc/72/89/52/573728952.db2.gz MKBMGGUBJSFLKK-SNVBAGLBSA-N 0 0 191.230 1.162 10 0 ADAERN C[C@H](O)C(F)(F)C[C@@H]1CCCCO1 257851878 573728966 /nfs/dbraw/zinc/72/89/66/573728966.db2.gz PCTACXKNLBFHJJ-YUMQZZPRSA-N 0 0 194.221 1.962 10 0 ADAERN C[C@H]1CC2(CCCCC2)C(=O)N1 238487331 573728968 /nfs/dbraw/zinc/72/89/68/573728968.db2.gz HLHHYLNBDPSLRZ-QMMMGPOBSA-N 0 0 167.252 1.845 10 0 ADAERN COC(=O)[C@@H]1CCc2ccc(N)cc21 257852580 573728972 /nfs/dbraw/zinc/72/89/72/573728972.db2.gz PGWPVRPQRGKZNA-SECBINFHSA-N 0 0 191.230 1.472 10 0 ADAERN Cc1nc2nc(=S)[nH]c(C)c2[nH]1 238487764 573728975 /nfs/dbraw/zinc/72/89/75/573728975.db2.gz CICYIQBBTSDPHN-UHFFFAOYSA-N 0 0 180.236 1.632 10 0 ADAERN CONCc1cc2c(cc1F)CCC2 258108793 573728980 /nfs/dbraw/zinc/72/89/80/573728980.db2.gz PNFRAYKFKAKHLR-UHFFFAOYSA-N 0 0 195.237 1.965 10 0 ADAERN CCC[C@@H](O)[C@H]1CSCCO1 86986185 573729003 /nfs/dbraw/zinc/72/90/03/573729003.db2.gz WCTQLNJZKDIKOJ-HTQZYQBOSA-N 0 0 176.281 1.279 10 0 ADAERN C=Cc1nc([C@@H]2CSCCO2)no1 86985943 573729008 /nfs/dbraw/zinc/72/90/08/573729008.db2.gz BUUZTDYMRWSSFL-LURJTMIESA-N 0 0 198.247 1.517 10 0 ADAERN C[C@H]1CC2(CCCC2)CNC1=O 238487274 573729014 /nfs/dbraw/zinc/72/90/14/573729014.db2.gz KKFZSNNGBZGTEV-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN OC[C@H]1C[C@H]1c1ncc(Cl)s1 223347207 573729015 /nfs/dbraw/zinc/72/90/15/573729015.db2.gz TXNLYEIYWSVAOQ-RFZPGFLSSA-N 0 0 189.667 1.892 10 0 ADAERN C[C@H]1C[C@@]1(C)CNN1CCC1 714735011 573729022 /nfs/dbraw/zinc/72/90/22/573729022.db2.gz NBQONHGEWPQDJG-IUCAKERBSA-N 0 0 154.257 1.243 10 0 ADAERN C/C=C/[C@H](O)Cc1ccoc1 238056787 573729038 /nfs/dbraw/zinc/72/90/38/573729038.db2.gz XWBSFCMATKTQAG-HPOULIHZSA-N 0 0 152.193 1.759 10 0 ADAERN CCCC[C@@H](O)/C=C/CO 144831791 573729050 /nfs/dbraw/zinc/72/90/50/573729050.db2.gz DQZRAEOPSNPXSQ-YZCDNWJKSA-N 0 0 144.214 1.086 10 0 ADAERN Cc1nccc(C(F)F)c1C(N)=O 238488191 573729074 /nfs/dbraw/zinc/72/90/74/573729074.db2.gz ISVYQDQHGJIVDQ-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CSCCO1 86986108 573729081 /nfs/dbraw/zinc/72/90/81/573729081.db2.gz UMBGAKOAPJSOEP-YUMQZZPRSA-N 0 0 176.281 1.135 10 0 ADAERN Cc1ccc2c(c1F)[C@@H](O)CC2=O 238487355 573729082 /nfs/dbraw/zinc/72/90/82/573729082.db2.gz MIYHYVXOUSXMNQ-QMMMGPOBSA-N 0 0 180.178 1.754 10 0 ADAERN Cc1nc(N)ncc1C(F)F 258512729 573729167 /nfs/dbraw/zinc/72/91/67/573729167.db2.gz LPDCIGYSMMDKAD-UHFFFAOYSA-N 0 0 159.139 1.305 10 0 ADAERN O[C@@H]1CCC[C@H](n2cccc2)C1 108285622 573729168 /nfs/dbraw/zinc/72/91/68/573729168.db2.gz AVTYFCIGYZLVQI-VHSXEESVSA-N 0 0 165.236 1.964 10 0 ADAERN CC(=O)c1c(F)ccc2c1OCC2 258107974 573729170 /nfs/dbraw/zinc/72/91/70/573729170.db2.gz YQYDSCMRBNXNPZ-UHFFFAOYSA-N 0 0 180.178 1.963 10 0 ADAERN CSCc1cn2c(N)cccc2n1 258417598 573729171 /nfs/dbraw/zinc/72/91/71/573729171.db2.gz CLKNIJIOISJXDS-UHFFFAOYSA-N 0 0 193.275 1.780 10 0 ADAERN Cc1cc(CO)c(F)nc1C(F)F 238487580 573729200 /nfs/dbraw/zinc/72/92/00/573729200.db2.gz UNWDGHUHHGVISR-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN O=C([O-])[C@@H]1[NH2+]CC[C@H]1C1CCCCC1 83983514 573729201 /nfs/dbraw/zinc/72/92/01/573729201.db2.gz FMXXVXZXZFKHRJ-VHSXEESVSA-N 0 0 197.278 1.629 10 0 ADAERN CC[C@@H](NN)c1ccoc1C 122361834 573729209 /nfs/dbraw/zinc/72/92/09/573729209.db2.gz FVBRFHPKHYBNHR-MRVPVSSYSA-N 0 0 154.213 1.502 10 0 ADAERN NOCC(F)(F)C1CCSCC1 258107350 573729211 /nfs/dbraw/zinc/72/92/11/573729211.db2.gz OIXHUMHCVCOEKF-UHFFFAOYSA-N 0 0 197.250 1.655 10 0 ADAERN CC(=O)N1Cc2c(F)cccc2C1=O 238060209 573729228 /nfs/dbraw/zinc/72/92/28/573729228.db2.gz RKKNCCZSWIDJGX-UHFFFAOYSA-N 0 0 193.177 1.328 10 0 ADAERN Cc1nnc([C@H]2CCCCN2C)[nH]1 75907158 573729231 /nfs/dbraw/zinc/72/92/31/573729231.db2.gz HAJWGTHLKTXMOP-MRVPVSSYSA-N 0 0 180.255 1.270 10 0 ADAERN C[C@H](O)CCCC1(O)CCCC1 257851602 573730291 /nfs/dbraw/zinc/73/02/91/573730291.db2.gz BGGWQDIZRMRENC-VIFPVBQESA-N 0 0 172.268 1.843 10 0 ADAERN C/C=C/[C@H](O)SC(C)=O 238056851 573729256 /nfs/dbraw/zinc/72/92/56/573729256.db2.gz SRFXAHJXSOGNSY-FCJGRKLLSA-N 0 0 146.211 1.161 10 0 ADAERN C[C@]1(O)CCCC[C@@H](O)CC1 238487781 573729282 /nfs/dbraw/zinc/72/92/82/573729282.db2.gz RHXUMXLEPOIKLP-BDAKNGLRSA-N 0 0 158.241 1.453 10 0 ADAERN CONCc1cc(C)c(O)cc1F 258106218 573729287 /nfs/dbraw/zinc/72/92/87/573729287.db2.gz PDAJHTZFUDTDNM-UHFFFAOYSA-N 0 0 185.198 1.491 10 0 ADAERN Cc1cc(CO)c(C)nc1Cl 238487250 573729290 /nfs/dbraw/zinc/72/92/90/573729290.db2.gz LHCVSOBOUAVTKE-UHFFFAOYSA-N 0 0 171.627 1.844 10 0 ADAERN COC(=O)c1c(O)ccc2[nH]ccc12 257852686 573729293 /nfs/dbraw/zinc/72/92/93/573729293.db2.gz PJMUSHNBAYIZKW-UHFFFAOYSA-N 0 0 191.186 1.660 10 0 ADAERN CC(C)c1cccc(CCON)c1O 258108607 573729302 /nfs/dbraw/zinc/72/93/02/573729302.db2.gz PJDYLCACDHHVAF-UHFFFAOYSA-N 0 0 195.262 1.948 10 0 ADAERN C[C@H](CC(=O)[O-])C[N@H+](C)C1CCCC1 258893929 573729308 /nfs/dbraw/zinc/72/93/08/573729308.db2.gz NGVXOXTVMGUJSD-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)C(=O)[C@H]1CSCCO1 86985904 573729319 /nfs/dbraw/zinc/72/93/19/573729319.db2.gz LXCBPOBPUCGBGJ-SSDOTTSWSA-N 0 0 174.265 1.344 10 0 ADAERN Oc1ccc(C2=NCCO2)cc1Cl 143039005 573729321 /nfs/dbraw/zinc/72/93/21/573729321.db2.gz BRRLCPQRUKIXRV-UHFFFAOYSA-N 0 0 197.621 1.822 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H]1CSCCO1 86986628 573729329 /nfs/dbraw/zinc/72/93/29/573729329.db2.gz WDBZBWWFPGUXKQ-XHNCKOQMSA-N 0 0 190.308 1.525 10 0 ADAERN Cc1cc(=O)[nH]c(C(F)F)c1O 238487392 573729346 /nfs/dbraw/zinc/72/93/46/573729346.db2.gz RFOBEOUNYZMLKB-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN C[C@H]1CC(=O)[C@@H]2C[C@@H]2C1 238487680 573729369 /nfs/dbraw/zinc/72/93/69/573729369.db2.gz ZVBGSJBYLRAHRU-DSYKOEDSSA-N 0 0 124.183 1.622 10 0 ADAERN Cn1cc(CO)c2ccccc2c1=O 143097121 573729403 /nfs/dbraw/zinc/72/94/03/573729403.db2.gz OQSAGABVMXSDRC-UHFFFAOYSA-N 0 0 189.214 1.031 10 0 ADAERN OCCc1nc(-c2ccccc2)c[nH]1 143085913 573729447 /nfs/dbraw/zinc/72/94/47/573729447.db2.gz UAGPYDPAUZRXAC-UHFFFAOYSA-N 0 0 188.230 1.612 10 0 ADAERN OCCc1ccccc1-c1ncco1 258106337 573729448 /nfs/dbraw/zinc/72/94/48/573729448.db2.gz PFALFXJTJCMONL-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN C/C=C/[C@H](O)/C=C/C(C)(C)O 238060034 573729451 /nfs/dbraw/zinc/72/94/51/573729451.db2.gz ZNHALAGUDWXUQG-MBFKRBPYSA-N 0 0 156.225 1.251 10 0 ADAERN CCC(=O)c1nc2c(n1C)CCCC2 83982470 573730298 /nfs/dbraw/zinc/73/02/98/573730298.db2.gz HDOVHZKPYWDKJD-UHFFFAOYSA-N 0 0 192.262 1.892 10 0 ADAERN C[C@]1(O)CCCC[C@@H]1CCO 238487848 573729488 /nfs/dbraw/zinc/72/94/88/573729488.db2.gz ZTDVQDZFLDKDSG-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN CC[C@H](C)C(=O)[C@H]1CSCCO1 86985894 573729489 /nfs/dbraw/zinc/72/94/89/573729489.db2.gz XWTOVBDXIMZSJR-JGVFFNPUSA-N 0 0 188.292 1.734 10 0 ADAERN CCOC(=O)NC(C)(C)CCOC 308426282 573729497 /nfs/dbraw/zinc/72/94/97/573729497.db2.gz RKZUBUCQPXQRIR-UHFFFAOYSA-N 0 0 189.255 1.548 10 0 ADAERN O=Cc1c[nH]c([C@H]2CSCCO2)n1 86990792 573729511 /nfs/dbraw/zinc/72/95/11/573729511.db2.gz VOORHJJBRRBIDC-SSDOTTSWSA-N 0 0 198.247 1.027 10 0 ADAERN O=C(OCCN1CC1)C1CCCC1 308426433 573729514 /nfs/dbraw/zinc/72/95/14/573729514.db2.gz XAWGOJCECBOQMP-UHFFFAOYSA-N 0 0 183.251 1.035 10 0 ADAERN Cc1cc(C)c([C@H]2CNC(=O)C2)[nH]1 238488301 573729522 /nfs/dbraw/zinc/72/95/22/573729522.db2.gz KLWFNCIHOVJAQU-MRVPVSSYSA-N 0 0 178.235 1.235 10 0 ADAERN CO[P@@]1(=O)C=CN=CC1 143048174 573729526 /nfs/dbraw/zinc/72/95/26/573729526.db2.gz VLNMXVSDWUFPJJ-UHFFFAOYSA-N 0 0 145.098 1.457 10 0 ADAERN C[C@H]1CCCCC[C@@]12NC(=O)NC2=O 238488136 573729549 /nfs/dbraw/zinc/72/95/49/573729549.db2.gz DPJUWCDHGQXPPA-OIBJUYFYSA-N 0 0 196.250 1.165 10 0 ADAERN C[C@@H]1CCc2[nH]nc(N)c2C1 75903890 573729574 /nfs/dbraw/zinc/72/95/74/573729574.db2.gz ZLDPXERLGKBQOG-RXMQYKEDSA-N 0 0 151.213 1.117 10 0 ADAERN O=Cc1c(O)ccc2c1COC2 108285218 573729576 /nfs/dbraw/zinc/72/95/76/573729576.db2.gz CQEBXFGTAKDGLI-UHFFFAOYSA-N 0 0 164.160 1.235 10 0 ADAERN OC1([C@@H]2CCCS2)CCC1 258108159 573729578 /nfs/dbraw/zinc/72/95/78/573729578.db2.gz SLLYZBHGHRDZMG-ZETCQYMHSA-N 0 0 158.266 1.797 10 0 ADAERN CN(CCC1CC1)CC(F)(F)CN 393556551 573729587 /nfs/dbraw/zinc/72/95/87/573729587.db2.gz ULWFGWCBLUCGBE-UHFFFAOYSA-N 0 0 192.253 1.312 10 0 ADAERN Cc1nccc(C(F)F)c1CO 238488417 573729592 /nfs/dbraw/zinc/72/95/92/573729592.db2.gz UWOAXHJOUVJQIL-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN CN1N=C(C(F)(F)F)CCC1=O 75896298 573729594 /nfs/dbraw/zinc/72/95/94/573729594.db2.gz UUBQONMKSAFWDN-UHFFFAOYSA-N 0 0 180.129 1.157 10 0 ADAERN CC1(C)C[NH2+][C@@H](c2cccc(O)c2)O1 258416357 573729610 /nfs/dbraw/zinc/72/96/10/573729610.db2.gz JAIIOTNKDBHHCE-SNVBAGLBSA-N 0 0 193.246 1.789 10 0 ADAERN O=Cc1ccc2c(n1)SCC2 108285589 573729613 /nfs/dbraw/zinc/72/96/13/573729613.db2.gz GCJRRBFSMIAHDD-UHFFFAOYSA-N 0 0 165.217 1.542 10 0 ADAERN NOCc1ccc2sc(=O)oc2c1 258106264 573729627 /nfs/dbraw/zinc/72/96/27/573729627.db2.gz PEAFDYUTZASFKZ-UHFFFAOYSA-N 0 0 197.215 1.245 10 0 ADAERN O=C(CC1CC1)[C@@H]1CSCCO1 86985775 573729632 /nfs/dbraw/zinc/72/96/32/573729632.db2.gz AVGGEZHPXWEFOB-VIFPVBQESA-N 0 0 186.276 1.488 10 0 ADAERN C/C=C/[C@H](O)Cc1ccccn1 238056756 573729642 /nfs/dbraw/zinc/72/96/42/573729642.db2.gz JYUGFMVPGVLAQP-FWYAXHSGSA-N 0 0 163.220 1.561 10 0 ADAERN CC(C)(C)C[C@@H]1OC[C@H](CCO)O1 258892015 573729668 /nfs/dbraw/zinc/72/96/68/573729668.db2.gz UVFMVAKWVMKVDG-DTWKUNHWSA-N 0 0 188.267 1.547 10 0 ADAERN CC(C)(C)C[C@H]1OC[C@H](CCO)O1 258892016 573729681 /nfs/dbraw/zinc/72/96/81/573729681.db2.gz UVFMVAKWVMKVDG-IUCAKERBSA-N 0 0 188.267 1.547 10 0 ADAERN COCc1ccc(CNO)cc1F 258108527 573729686 /nfs/dbraw/zinc/72/96/86/573729686.db2.gz PIGXPNRVYMGJJW-UHFFFAOYSA-N 0 0 185.198 1.451 10 0 ADAERN Cc1ccc2c(c1F)CNC2=O 238487758 573729688 /nfs/dbraw/zinc/72/96/88/573729688.db2.gz KAXBEDBQMGBPMP-UHFFFAOYSA-N 0 0 165.167 1.378 10 0 ADAERN OC[C@@H]1CCC[C@@H]1C(F)(F)F 108286978 573729691 /nfs/dbraw/zinc/72/96/91/573729691.db2.gz HRAPXOYQCITXRS-WDSKDSINSA-N 0 0 168.158 1.957 10 0 ADAERN CC[C@H]1[C@H](CC(=O)[O-])C2CC[NH+]1CC2 258107478 573729692 /nfs/dbraw/zinc/72/96/92/573729692.db2.gz OKHBIJYRAORZLO-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CCc1ccc2[nH]c(C=O)nc2c1 124978417 573729708 /nfs/dbraw/zinc/72/97/08/573729708.db2.gz UNAHWZOWEIMMAW-UHFFFAOYSA-N 0 0 174.203 1.938 10 0 ADAERN C/C=C/[C@H](O)[C@H](O)c1ccc(C)cc1 238059213 573729711 /nfs/dbraw/zinc/72/97/11/573729711.db2.gz HWKFCYNNVPOXED-HEKLCECKSA-N 0 0 192.258 1.965 10 0 ADAERN COC(=O)C(F)(F)[C@@H]1CCCCO1 257852576 573729721 /nfs/dbraw/zinc/72/97/21/573729721.db2.gz PGVNVEHFEDAILA-LURJTMIESA-N 0 0 194.177 1.364 10 0 ADAERN OC[C@@H]1CCC[C@H]1C(F)(F)F 108286969 573729766 /nfs/dbraw/zinc/72/97/66/573729766.db2.gz HRAPXOYQCITXRS-NTSWFWBYSA-N 0 0 168.158 1.957 10 0 ADAERN CCOC(=N)[C@@H]1CSCCO1 86989756 573729776 /nfs/dbraw/zinc/72/97/76/573729776.db2.gz UOKOPGSYSGOBAB-LURJTMIESA-N 0 0 175.253 1.132 10 0 ADAERN Cc1ccc(C[C@@H](C)O)cc1O 258107948 573729782 /nfs/dbraw/zinc/72/97/82/573729782.db2.gz YQNCJWAOWQSTLK-MRVPVSSYSA-N 0 0 166.220 1.624 10 0 ADAERN CCCn1ncnc1CC(=O)C(C)C 83992720 573729824 /nfs/dbraw/zinc/72/98/24/573729824.db2.gz DYKNJQGAWXQJAS-UHFFFAOYSA-N 0 0 195.266 1.456 10 0 ADAERN C[C@@H]1Cc2c(cccc2C2(O)CC2)O1 258108692 573729828 /nfs/dbraw/zinc/72/98/28/573729828.db2.gz PKSIPXXIXGXHHX-MRVPVSSYSA-N 0 0 190.242 1.991 10 0 ADAERN Cc1noc(N)c1-c1ccc(O)cc1 257852563 573729831 /nfs/dbraw/zinc/72/98/31/573729831.db2.gz PGEFZDPZMTWKOZ-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CN(C)c1cccc2n[nH]cc12 75903313 573729837 /nfs/dbraw/zinc/72/98/37/573729837.db2.gz FHFZJCHZXSRZND-UHFFFAOYSA-N 0 0 161.208 1.629 10 0 ADAERN C/C=C/[C@H](O)[C@](C)(O)c1cccnc1 238059923 573730305 /nfs/dbraw/zinc/73/03/05/573730305.db2.gz BGALDLZGCIJJMS-FWCMMDKOSA-N 0 0 193.246 1.226 10 0 ADAERN Cc1ccc(N)c(C)c1CO 143094990 573729864 /nfs/dbraw/zinc/72/98/64/573729864.db2.gz FJVAUEDHUNXLBI-UHFFFAOYSA-N 0 0 151.209 1.378 10 0 ADAERN C[C@@H](CC(=O)[O-])C[N@H+](C)C1CCCC1 258893931 573729873 /nfs/dbraw/zinc/72/98/73/573729873.db2.gz NGVXOXTVMGUJSD-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)[C@@H]1CCc2noc(N)c21 108285860 573729876 /nfs/dbraw/zinc/72/98/76/573729876.db2.gz RBECOPBGZYSPFN-LURJTMIESA-N 0 0 166.224 1.943 10 0 ADAERN O[C@@H]1CCCCCC12OCCO2 143066848 573729884 /nfs/dbraw/zinc/72/98/84/573729884.db2.gz XALXVNSTVPMPIU-MRVPVSSYSA-N 0 0 172.224 1.055 10 0 ADAERN O[C@@H]1OCC[C@H]1OCc1ccccc1 143095969 573729901 /nfs/dbraw/zinc/72/99/01/573729901.db2.gz NPFVMZQFFFWAKY-GHMZBOCLSA-N 0 0 194.230 1.311 10 0 ADAERN COC(=O)C/C=C\[C@H]1CCCOC1 258107316 573729905 /nfs/dbraw/zinc/72/99/05/573729905.db2.gz HNGPKKPVCDYEFB-MDHMXLOGSA-N 0 0 184.235 1.532 10 0 ADAERN Cn1ncc(-c2cccc(O)c2)c1N 257852118 573729909 /nfs/dbraw/zinc/72/99/09/573729909.db2.gz SGLUDTPJTKCQCM-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN C[C@]1(CO)CCCCC12OCCO2 143047946 573729910 /nfs/dbraw/zinc/72/99/10/573729910.db2.gz ATRBXWDPIHSDBS-SECBINFHSA-N 0 0 186.251 1.302 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CON)CO2 258109274 573729930 /nfs/dbraw/zinc/72/99/30/573729930.db2.gz OLADIMAIAAMHTR-MRVPVSSYSA-N 0 0 179.219 1.361 10 0 ADAERN CCc1nc(C(C)=O)c2n1CCCC2 83982468 573729934 /nfs/dbraw/zinc/72/99/34/573729934.db2.gz PWVVFULPPUEKFX-UHFFFAOYSA-N 0 0 192.262 1.984 10 0 ADAERN CC(=O)CC[C@@H]1C[C@@H](C)CO1 238487799 573729935 /nfs/dbraw/zinc/72/99/35/573729935.db2.gz LFUFLIDQKOJZNP-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN C/C=C/[C@H](O)Cc1nccnc1C 238056817 573729951 /nfs/dbraw/zinc/72/99/51/573729951.db2.gz SRBUJDFPOOSFGI-NWALNABHSA-N 0 0 178.235 1.265 10 0 ADAERN CC(C)[C@H]1CCc2noc(N)c21 108285861 573729961 /nfs/dbraw/zinc/72/99/61/573729961.db2.gz RBECOPBGZYSPFN-ZCFIWIBFSA-N 0 0 166.224 1.943 10 0 ADAERN CC[C@@H](C)C(=O)[C@H]1CSCCO1 86985893 573730332 /nfs/dbraw/zinc/73/03/32/573730332.db2.gz XWTOVBDXIMZSJR-HTQZYQBOSA-N 0 0 188.292 1.734 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H]1CSCCO1 86986195 573729966 /nfs/dbraw/zinc/72/99/66/573729966.db2.gz OATOJBZYJPSZGA-YUMQZZPRSA-N 0 0 190.308 1.525 10 0 ADAERN CCC(=O)[C@H]1CSCCO1 86985750 573729971 /nfs/dbraw/zinc/72/99/71/573729971.db2.gz XHWUIVGQMSVHTE-SSDOTTSWSA-N 0 0 160.238 1.098 10 0 ADAERN COc1ccc(C)c(C[C@H](C)O)c1O 258106413 573729973 /nfs/dbraw/zinc/72/99/73/573729973.db2.gz PHVPSVOCPSBGKC-QMMMGPOBSA-N 0 0 196.246 1.633 10 0 ADAERN Cc1nc2c(C)cc(N)nc2o1 238488495 573729979 /nfs/dbraw/zinc/72/99/79/573729979.db2.gz OTZLSSFBDAMDKS-UHFFFAOYSA-N 0 0 163.180 1.422 10 0 ADAERN CC(C)(C)C[C@@H]1OC[C@@H](CCO)O1 258892017 573730020 /nfs/dbraw/zinc/73/00/20/573730020.db2.gz UVFMVAKWVMKVDG-RKDXNWHRSA-N 0 0 188.267 1.547 10 0 ADAERN Cc1cnc2c(c1)COC2=O 238487842 573730029 /nfs/dbraw/zinc/73/00/29/573730029.db2.gz XELFUQDRXADOQY-UHFFFAOYSA-N 0 0 149.149 1.060 10 0 ADAERN CC(C)CC(=O)[C@H]1CSCCO1 86985808 573730120 /nfs/dbraw/zinc/73/01/20/573730120.db2.gz OMCLGAKFKNBBQS-SECBINFHSA-N 0 0 188.292 1.734 10 0 ADAERN Cc1ccccc1C(=O)c1c[nH]cn1 143093705 573730126 /nfs/dbraw/zinc/73/01/26/573730126.db2.gz RMMXQNXOSRCWFX-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN C[C@@H]1C[C@@H]2OC[C@H](C)[C@@H]2CC1=O 238488252 573730151 /nfs/dbraw/zinc/73/01/51/573730151.db2.gz JNCSNSVNEGVMNG-VEVYYDQMSA-N 0 0 168.236 1.637 10 0 ADAERN O[C@H]1CCCCCC12OCCO2 143066623 573730153 /nfs/dbraw/zinc/73/01/53/573730153.db2.gz XALXVNSTVPMPIU-QMMMGPOBSA-N 0 0 172.224 1.055 10 0 ADAERN COc1cc(CC(C)=O)c(C)cc1O 257852893 573730165 /nfs/dbraw/zinc/73/01/65/573730165.db2.gz SJMQKROHJVHMMA-UHFFFAOYSA-N 0 0 194.230 1.841 10 0 ADAERN O=C1NCCCCc2sccc21 143088228 573730193 /nfs/dbraw/zinc/73/01/93/573730193.db2.gz DAQOQJMFKXWHDZ-UHFFFAOYSA-N 0 0 181.260 1.814 10 0 ADAERN CC(=O)C12CCC(O)(CC1)CC2 238057780 573730198 /nfs/dbraw/zinc/73/01/98/573730198.db2.gz SVEJAAQSGRPVRZ-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN Cc1ccc(Cl)nc1C(N)=O 238488641 573730225 /nfs/dbraw/zinc/73/02/25/573730225.db2.gz NPNSDEDMKCBDTH-UHFFFAOYSA-N 0 0 170.599 1.142 10 0 ADAERN CC(C)C[C@@H](O)[C@H]1CSCCO1 86986608 573730228 /nfs/dbraw/zinc/73/02/28/573730228.db2.gz LSLFJGKOKDFPEX-RKDXNWHRSA-N 0 0 190.308 1.525 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CSCCO1 86985953 573730233 /nfs/dbraw/zinc/73/02/33/573730233.db2.gz OTXPBYLOAACPDP-ZETCQYMHSA-N 0 0 188.292 1.734 10 0 ADAERN Cc1nc2c(C=O)ccnc2n1C 238489206 573734539 /nfs/dbraw/zinc/73/45/39/573734539.db2.gz JAAFAGXFRNRBHR-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN C=C=CCC(C)=O 144764130 573734541 /nfs/dbraw/zinc/73/45/41/573734541.db2.gz OXTPWHNQBSBPDM-UHFFFAOYSA-N 0 0 96.129 1.307 10 0 ADAERN Cc1nc2c(CO)nccc2s1 238489656 573733689 /nfs/dbraw/zinc/73/36/89/573733689.db2.gz YUMUAQGXPPEHEV-UHFFFAOYSA-N 0 0 180.232 1.492 10 0 ADAERN C[C@H]1CCC[C@]2(CC1)NC(=O)N=C2N 86995148 573733774 /nfs/dbraw/zinc/73/37/74/573733774.db2.gz MWQATTGXARGDTE-OIBJUYFYSA-N 0 0 195.266 1.615 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)[C@@H]1C[C@@H]1[C@@H]2O 238489610 573733785 /nfs/dbraw/zinc/73/37/85/573733785.db2.gz FXFHVXKHQWDNHK-QCNOEVLYSA-N 0 0 190.242 1.712 10 0 ADAERN S=c1[nH]ccn1CC[C@@H]1CCOC1 236638538 573733788 /nfs/dbraw/zinc/73/37/88/573733788.db2.gz YYRFRQCDXYPQTN-MRVPVSSYSA-N 0 0 198.291 1.598 10 0 ADAERN COC(=O)[C@]1(C)CCCC(C)(C)N1 258109777 573734123 /nfs/dbraw/zinc/73/41/23/573734123.db2.gz YXWUQMKXSLXBKO-JTQLQIEISA-N 0 0 185.267 1.470 10 0 ADAERN Cc1cccc(C[C@H]2CNC(=O)C2)c1 238489144 573734133 /nfs/dbraw/zinc/73/41/33/573734133.db2.gz ATZBYCPHWOFNPG-LLVKDONJSA-N 0 0 189.258 1.674 10 0 ADAERN CCCC[C@H]1COCC[C@@H]1O 224639447 573734134 /nfs/dbraw/zinc/73/41/34/573734134.db2.gz MWFVMVJSGGIDDJ-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cc(CCO)c2c(c1)OCO2 258112097 573734163 /nfs/dbraw/zinc/73/41/63/573734163.db2.gz ZAFRZADTSSMXFW-UHFFFAOYSA-N 0 0 180.203 1.259 10 0 ADAERN Cc1cc(CO)cc(F)c1N 238488985 573734166 /nfs/dbraw/zinc/73/41/66/573734166.db2.gz KMFMPAHHCMCMCK-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN OCCc1ccc(O)c2c1CCCC2 258110917 573734170 /nfs/dbraw/zinc/73/41/70/573734170.db2.gz PPFCOZINJBFZMN-UHFFFAOYSA-N 0 0 192.258 1.806 10 0 ADAERN C[C@@]1(CO)Cc2cc(F)ccc2C1=O 238489916 573734180 /nfs/dbraw/zinc/73/41/80/573734180.db2.gz UEJLQPIUHNCJDW-NSHDSACASA-N 0 0 194.205 1.563 10 0 ADAERN O=C1NOC[C@H](c2ccccc2F)O1 257853462 573734181 /nfs/dbraw/zinc/73/41/81/573734181.db2.gz PMWHAEUJDDTROI-MRVPVSSYSA-N 0 0 197.165 1.538 10 0 ADAERN C[C@@]1(CO)CO[C@H](c2ccccc2)O1 238489554 573734187 /nfs/dbraw/zinc/73/41/87/573734187.db2.gz QDWNNYFTHYNOPA-WDEREUQCSA-N 0 0 194.230 1.483 10 0 ADAERN Cn1ncc(C2CCCC2)c1CO 257860257 573734195 /nfs/dbraw/zinc/73/41/95/573734195.db2.gz VGUVLBYMBQLEAD-UHFFFAOYSA-N 0 0 180.251 1.570 10 0 ADAERN Cc1nc2c(cc1N)COCC2 258111825 573734196 /nfs/dbraw/zinc/73/41/96/573734196.db2.gz YYZGTDUZRZAVAC-UHFFFAOYSA-N 0 0 164.208 1.045 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N=C2N 87007110 573734198 /nfs/dbraw/zinc/73/41/98/573734198.db2.gz FVGNMMNVOWVUDT-RNFRBKRXSA-N 0 0 195.266 1.471 10 0 ADAERN C[C@@]1(C2CCCC2)NC(=O)N=C1N 87007388 573734205 /nfs/dbraw/zinc/73/42/05/573734205.db2.gz JNXRAXCVVSXXTC-VIFPVBQESA-N 0 0 181.239 1.225 10 0 ADAERN CC[C@@H](C)[C@@H]1C(N)=NC(=O)N1C 87008838 573734220 /nfs/dbraw/zinc/73/42/20/573734220.db2.gz PWKLLRHPHUUWEC-PHDIDXHHSA-N 0 0 169.228 1.033 10 0 ADAERN Cc1nccc(C(N)=O)c1C(F)F 238488693 573734223 /nfs/dbraw/zinc/73/42/23/573734223.db2.gz CXXYPNXHIGSNJM-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN O=C([O-])C[N@@H+]1Cc2ccc(F)cc2C1 258112254 573734235 /nfs/dbraw/zinc/73/42/35/573734235.db2.gz ZCIVRHPYJLSAGO-UHFFFAOYSA-N 0 0 195.193 1.226 10 0 ADAERN NOCc1cccc2cnncc12 258109546 573734454 /nfs/dbraw/zinc/73/44/54/573734454.db2.gz YTAVQROPBIQFSK-UHFFFAOYSA-N 0 0 175.191 1.020 10 0 ADAERN NC1=NC(=O)N[C@@H]1c1ccc(F)cc1 87007294 573732655 /nfs/dbraw/zinc/73/26/55/573732655.db2.gz XISOYCONSPAWHM-SSDOTTSWSA-N 0 0 193.181 1.157 10 0 ADAERN CC(C)C[C@@H]1C(N)=NC(=O)N1C 87009150 573732656 /nfs/dbraw/zinc/73/26/56/573732656.db2.gz GEERNKABDZFUFH-ZCFIWIBFSA-N 0 0 169.228 1.033 10 0 ADAERN Cc1cc(O)cc(-c2cc(N)no2)c1 258111090 573732666 /nfs/dbraw/zinc/73/26/66/573732666.db2.gz PRJNJSRLHUUPTR-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C[C@@H]1C[C@]1(C)CNN1CCC1 714735012 573732676 /nfs/dbraw/zinc/73/26/76/573732676.db2.gz NBQONHGEWPQDJG-RKDXNWHRSA-N 0 0 154.257 1.243 10 0 ADAERN CCCN1C(=O)N=C(N)[C@@H]1C(C)C 87008376 573732682 /nfs/dbraw/zinc/73/26/82/573732682.db2.gz RSMQDVZEANRCGL-ZETCQYMHSA-N 0 0 183.255 1.423 10 0 ADAERN OCC(CO)c1ccc(Cl)s1 258112273 573732696 /nfs/dbraw/zinc/73/26/96/573732696.db2.gz KWYWAWVYTCEBNC-UHFFFAOYSA-N 0 0 192.667 1.470 10 0 ADAERN C[C@@]1(CO)COCc2ccccc21 238489497 573732700 /nfs/dbraw/zinc/73/27/00/573732700.db2.gz CSVSCJRENSZRFI-LLVKDONJSA-N 0 0 178.231 1.467 10 0 ADAERN O[C@@H](C(F)F)[C@@H]1CCSC1 224639712 573734457 /nfs/dbraw/zinc/73/44/57/573734457.db2.gz BHYYCQPEGVLSQT-RFZPGFLSSA-N 0 0 168.208 1.366 10 0 ADAERN C[C@@H](CO)c1c(O)cccc1O 258112531 573732728 /nfs/dbraw/zinc/73/27/28/573732728.db2.gz ZDTRDYPNISHOFJ-LURJTMIESA-N 0 0 168.192 1.194 10 0 ADAERN C[C@H]1C[C@]2(CC[C@H]1C)NC(=O)N=C2N 86995044 573732729 /nfs/dbraw/zinc/73/27/29/573732729.db2.gz USYLILDYGYPYRB-FWWHASMVSA-N 0 0 195.266 1.471 10 0 ADAERN Cc1nccc(C[NH3+])c1C(F)F 238489787 573732730 /nfs/dbraw/zinc/73/27/30/573732730.db2.gz HKDAHUAYEAFPRY-UHFFFAOYSA-N 0 0 172.178 1.786 10 0 ADAERN CC[C@H]1CCC[C@@]2(C1)NC(=O)N=C2N 87007436 573732734 /nfs/dbraw/zinc/73/27/34/573732734.db2.gz GBUVOGVDUDYSAH-XVKPBYJWSA-N 0 0 195.266 1.615 10 0 ADAERN CNOCCC[C@H]1CCCO1 258109764 573732735 /nfs/dbraw/zinc/73/27/35/573732735.db2.gz YPMVWSAQSNRNJA-MRVPVSSYSA-N 0 0 159.229 1.097 10 0 ADAERN CCn1ncnc1C[C@H]1CCCC1=O 83979138 573732741 /nfs/dbraw/zinc/73/27/41/573732741.db2.gz UWHDVDYXWBYCSN-MRVPVSSYSA-N 0 0 193.250 1.210 10 0 ADAERN CN1C(=O)N=C(N)[C@H]1c1cccs1 87008925 573732743 /nfs/dbraw/zinc/73/27/43/573732743.db2.gz XFPVPHYADKDGSW-ZCFIWIBFSA-N 0 0 195.247 1.212 10 0 ADAERN CC[C@H](NN)[C@@H]1Cc2ccccc2O1 97628457 573732745 /nfs/dbraw/zinc/73/27/45/573732745.db2.gz MNIITQQTSGDTQQ-ONGXEEELSA-N 0 0 192.262 1.232 10 0 ADAERN CC1=C[C@@](C)(CO)C=CC1 224629203 573732748 /nfs/dbraw/zinc/73/27/48/573732748.db2.gz AAGDZVVLAWTVEE-VIFPVBQESA-N 0 0 138.210 1.891 10 0 ADAERN O[C@@H](C(F)F)[C@H]1CCSC1 224639805 573732757 /nfs/dbraw/zinc/73/27/57/573732757.db2.gz BHYYCQPEGVLSQT-CRCLSJGQSA-N 0 0 168.208 1.366 10 0 ADAERN Cc1cc(CCCO)cc2c1OCO2 258111125 573732766 /nfs/dbraw/zinc/73/27/66/573732766.db2.gz PSIBOINVEDMIPN-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN C[C@H]1COc2cnc(C=O)cc21 238489412 573732771 /nfs/dbraw/zinc/73/27/71/573732771.db2.gz MIGZSIMIPCNHIZ-LURJTMIESA-N 0 0 163.176 1.390 10 0 ADAERN C[C@]1(C2CCCCC2)NC(=O)N=C1N 87007074 573732783 /nfs/dbraw/zinc/73/27/83/573732783.db2.gz NFJJMLKQZLTGKC-SNVBAGLBSA-N 0 0 195.266 1.615 10 0 ADAERN C[C@H](CO)c1c(O)cccc1O 258112547 573732787 /nfs/dbraw/zinc/73/27/87/573732787.db2.gz ZDTRDYPNISHOFJ-ZCFIWIBFSA-N 0 0 168.192 1.194 10 0 ADAERN C[C@@H]1CCC[C@]2(CC1)NC(=O)N=C2N 86995145 573732829 /nfs/dbraw/zinc/73/28/29/573732829.db2.gz MWQATTGXARGDTE-GMSGAONNSA-N 0 0 195.266 1.615 10 0 ADAERN NC1=NC(=O)N[C@@H]1c1cccc(F)c1 86994520 573732862 /nfs/dbraw/zinc/73/28/62/573732862.db2.gz PSXDVCRKNKMUBZ-SSDOTTSWSA-N 0 0 193.181 1.157 10 0 ADAERN C[C@@H]1C[C@]2(C)NC(=O)[C@@]2(C)C1 238489906 573732874 /nfs/dbraw/zinc/73/28/74/573732874.db2.gz SACAUEQWAUVLPP-ZQARSLAVSA-N 0 0 153.225 1.311 10 0 ADAERN Cn1ncnc1C[C@@H]1CCCC(=O)C1 83976253 573732881 /nfs/dbraw/zinc/73/28/81/573732881.db2.gz 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/nfs/dbraw/zinc/73/30/75/573733075.db2.gz AYZUBTBVNXGGRT-UHFFFAOYSA-N 0 0 195.266 1.710 10 0 ADAERN CCOC(=O)N(C)[C@@H]1CCCOC1 308426708 573733080 /nfs/dbraw/zinc/73/30/80/573733080.db2.gz RORCZCJHZKXADL-MRVPVSSYSA-N 0 0 187.239 1.254 10 0 ADAERN CC[C@]1(C2CC2)C(N)=NC(=O)N1C 87008790 573733084 /nfs/dbraw/zinc/73/30/84/573733084.db2.gz UHKCMYPATZKGHA-VIFPVBQESA-N 0 0 181.239 1.177 10 0 ADAERN CCOCCC[C@@H](CC)NN 126876937 573733089 /nfs/dbraw/zinc/73/30/89/573733089.db2.gz OCYDYFKVIIUSKO-MRVPVSSYSA-N 0 0 160.261 1.045 10 0 ADAERN Cc1cc(CO)cc(C)c1CCO 238488695 573733095 /nfs/dbraw/zinc/73/30/95/573733095.db2.gz OPOGWAOPDSJJHF-UHFFFAOYSA-N 0 0 180.247 1.331 10 0 ADAERN CC[C@@H]1[C@H](C(=O)[O-])CCC[N@@H+]1CC 144701652 573733250 /nfs/dbraw/zinc/73/32/50/573733250.db2.gz KBDRSMYNLRGSQS-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@H]1CC[C@@]2(C1)C(N)=NC(=O)N2C 87008867 573733137 /nfs/dbraw/zinc/73/31/37/573733137.db2.gz RMXKJCSXBDRFAQ-OIBJUYFYSA-N 0 0 195.266 1.568 10 0 ADAERN 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ADAERN COc1c(O)cc(CO)c(C)c1C 258111114 573733193 /nfs/dbraw/zinc/73/31/93/573733193.db2.gz PSFSZIGJNVVIAH-UHFFFAOYSA-N 0 0 182.219 1.510 10 0 ADAERN CC[C@@H]1CCC[C@]2(C1)NC(=O)N=C2N 87007428 573733206 /nfs/dbraw/zinc/73/32/06/573733206.db2.gz GBUVOGVDUDYSAH-GMSGAONNSA-N 0 0 195.266 1.615 10 0 ADAERN C[C@@]1(C2CCCCC2)NC(=O)N=C1N 87007072 573733209 /nfs/dbraw/zinc/73/32/09/573733209.db2.gz NFJJMLKQZLTGKC-JTQLQIEISA-N 0 0 195.266 1.615 10 0 ADAERN Cc1ccccc1[C@H]1NC(=O)N=C1N 86995246 573733217 /nfs/dbraw/zinc/73/32/17/573733217.db2.gz DIUYYMONZJSAKP-MRVPVSSYSA-N 0 0 189.218 1.326 10 0 ADAERN C[C@@H]1CCC[C@]12C(N)=NC(=O)N2C 87008768 573733222 /nfs/dbraw/zinc/73/32/22/573733222.db2.gz QRXNGLVYKHAZOI-HZGVNTEJSA-N 0 0 181.239 1.177 10 0 ADAERN O=C1CCCOc2ccc(F)cc2N1 258109390 573733232 /nfs/dbraw/zinc/73/32/32/573733232.db2.gz FKNWGXZGKLGFCQ-UHFFFAOYSA-N 0 0 195.193 1.937 10 0 ADAERN CC(=O)C[C@]1(C)CC[C@H](C)C1=O 238489980 573733234 /nfs/dbraw/zinc/73/32/34/573733234.db2.gz 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/nfs/dbraw/zinc/73/32/73/573733273.db2.gz LJIYFFCOIGHPIT-SNVBAGLBSA-N 0 0 195.266 1.568 10 0 ADAERN CC[C@H]1CCCC[C@@]12NC(=O)N=C2N 86994764 573733288 /nfs/dbraw/zinc/73/32/88/573733288.db2.gz YNICZVNHINEMDW-OIBJUYFYSA-N 0 0 195.266 1.615 10 0 ADAERN COc1ccc([C@H](F)CO)cc1 108288696 573733297 /nfs/dbraw/zinc/73/32/97/573733297.db2.gz SQRBQCRRCQNCSW-SECBINFHSA-N 0 0 170.183 1.698 10 0 ADAERN CC[C@@H]1C(N)=NC(=O)N1CC(C)C 87008514 573733305 /nfs/dbraw/zinc/73/33/05/573733305.db2.gz NSQFEGUVGYHVGP-SSDOTTSWSA-N 0 0 183.255 1.423 10 0 ADAERN CC[C@H]1CCCC[C@]12NC(=O)N=C2N 86994757 573733312 /nfs/dbraw/zinc/73/33/12/573733312.db2.gz YNICZVNHINEMDW-XVKPBYJWSA-N 0 0 195.266 1.615 10 0 ADAERN Cc1cc(=O)[nH]cc1[C@@H]1CCC(=O)C1 238489431 573733318 /nfs/dbraw/zinc/73/33/18/573733318.db2.gz FMLYTLSIAIDRBT-MRVPVSSYSA-N 0 0 191.230 1.932 10 0 ADAERN CCO[P@@]1(=O)CC[C@@H](CO)CO1 144713764 573733323 /nfs/dbraw/zinc/73/33/23/573733323.db2.gz XMWZZCAFNVDRNB-MADCSZMMSA-N 0 0 194.167 1.245 10 0 ADAERN CCn1ncnc1C[C@@H]1CCC[C@@H]1O 83994534 573733334 /nfs/dbraw/zinc/73/33/34/573733334.db2.gz GMXZLDXUQUCIFQ-IUCAKERBSA-N 0 0 195.266 1.002 10 0 ADAERN NC1=NC(=O)N[C@H]1c1ccc(F)cc1 87007297 573733347 /nfs/dbraw/zinc/73/33/47/573733347.db2.gz XISOYCONSPAWHM-ZETCQYMHSA-N 0 0 193.181 1.157 10 0 ADAERN CC(C)CN1C(=O)N=C(N)[C@H]1C(C)C 87008625 573733368 /nfs/dbraw/zinc/73/33/68/573733368.db2.gz QBFZIQFJPYLPOH-MRVPVSSYSA-N 0 0 197.282 1.669 10 0 ADAERN Nc1nc2ccnc(Cl)c2[nH]1 224637525 573733380 /nfs/dbraw/zinc/73/33/80/573733380.db2.gz NHGBURCEFLTAMS-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN CC(=O)[C@]1(C)CC[C@H](C)C1=O 238489605 573733390 /nfs/dbraw/zinc/73/33/90/573733390.db2.gz KWNDITDTIKWLCT-RCOVLWMOSA-N 0 0 154.209 1.581 10 0 ADAERN Cc1ccc2cc(CON)n(C)c2c1 258110676 573733399 /nfs/dbraw/zinc/73/33/99/573733399.db2.gz JANKSYHJXBUCGH-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN COc1c(C2(O)CC2)ccc(C)c1O 258110808 573733406 /nfs/dbraw/zinc/73/34/06/573733406.db2.gz PNTYIBHUBUNVRS-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CC[C@@H](O)c1cn2ccccc2n1 83999381 573734488 /nfs/dbraw/zinc/73/44/88/573734488.db2.gz AZUTVMXMQCDZNY-SECBINFHSA-N 0 0 176.219 1.778 10 0 ADAERN Cc1c(N)cnn1-c1nccs1 124984225 573733415 /nfs/dbraw/zinc/73/34/15/573733415.db2.gz HHWBYSPSGZLJKT-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN C/C=C/C=C\C(=O)N(C)CCSC 393557222 573733430 /nfs/dbraw/zinc/73/34/30/573733430.db2.gz WEKCJOQQPOQBKI-DEQVHDEQSA-N 0 0 199.319 1.940 10 0 ADAERN CCCc1nnc2cccc(O)n12 258110122 573733433 /nfs/dbraw/zinc/73/34/33/573733433.db2.gz XZEDDCSGIYZRLU-UHFFFAOYSA-N 0 0 177.207 1.387 10 0 ADAERN Nc1c(F)cc2[nH]ccc2c1O 258109550 573733439 /nfs/dbraw/zinc/73/34/39/573733439.db2.gz YTFBJYHNQOCPON-UHFFFAOYSA-N 0 0 166.155 1.595 10 0 ADAERN CC1(C)CCC[C@]2(C1)NC(=O)N=C2N 86994525 573733447 /nfs/dbraw/zinc/73/34/47/573733447.db2.gz NZBDHLYOWXWKCF-SNVBAGLBSA-N 0 0 195.266 1.615 10 0 ADAERN Nc1ccc(F)cc1[C@@H]1C[NH2+]CCO1 144720128 573733477 /nfs/dbraw/zinc/73/34/77/573733477.db2.gz ZJZGSHSOTLNDFH-JTQLQIEISA-N 0 0 196.225 1.069 10 0 ADAERN Cc1nc2ccc(NCO)cc2o1 258897583 573733481 /nfs/dbraw/zinc/73/34/81/573733481.db2.gz KJOHDBCRHGPCQC-UHFFFAOYSA-N 0 0 178.191 1.498 10 0 ADAERN CC[C@H]1[C@H](C(=O)[O-])CCC[N@@H+]1CC 144701832 573733497 /nfs/dbraw/zinc/73/34/97/573733497.db2.gz KBDRSMYNLRGSQS-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCCN1C(=O)N=C(N)[C@]1(C)C(C)C 87008349 573733502 /nfs/dbraw/zinc/73/35/02/573733502.db2.gz VVXNZUPQRCTDFA-JTQLQIEISA-N 0 0 197.282 1.814 10 0 ADAERN NC(=O)c1nccc(C2CCCC2)n1 259563933 573733528 /nfs/dbraw/zinc/73/35/28/573733528.db2.gz OWUYEGIYOXKOPM-UHFFFAOYSA-N 0 0 191.234 1.233 10 0 ADAERN CC[C@H](C)[C@H]1C(N)=NC(=O)N1C 87008845 573733535 /nfs/dbraw/zinc/73/35/35/573733535.db2.gz PWKLLRHPHUUWEC-WDSKDSINSA-N 0 0 169.228 1.033 10 0 ADAERN CC[C@H](NN)c1cc(C)oc1C 97684386 573733538 /nfs/dbraw/zinc/73/35/38/573733538.db2.gz AQYLWBXMAZUSOV-VIFPVBQESA-N 0 0 168.240 1.811 10 0 ADAERN Cc1cc([C@H](C)O)cc(O)c1F 258109805 573733542 /nfs/dbraw/zinc/73/35/42/573733542.db2.gz YYJLGAACBNAXRI-LURJTMIESA-N 0 0 170.183 1.893 10 0 ADAERN CCCN1C(=O)N=C(N)[C@H]1C(C)(C)C 87008504 573733548 /nfs/dbraw/zinc/73/35/48/573733548.db2.gz RNPKEUZZLHGKOR-ZETCQYMHSA-N 0 0 197.282 1.814 10 0 ADAERN O=C1CCc2ccc3c(c21)[C@@H](O)CC3 224625875 573734495 /nfs/dbraw/zinc/73/44/95/573734495.db2.gz OGCHUHIHPCIOGI-VIFPVBQESA-N 0 0 188.226 1.795 10 0 ADAERN Cc1ncsc1[C@@H](NN)C1CC1 97747846 573733549 /nfs/dbraw/zinc/73/35/49/573733549.db2.gz AKYAXSPQUAPWCP-ZETCQYMHSA-N 0 0 183.280 1.366 10 0 ADAERN COCc1ccc(CO)cc1O 258109666 573733551 /nfs/dbraw/zinc/73/35/51/573733551.db2.gz YVJFECVGEJKUDN-UHFFFAOYSA-N 0 0 168.192 1.031 10 0 ADAERN CC(C)[C@@]1(C)C(N)=NC(=O)N1C 87009169 573733553 /nfs/dbraw/zinc/73/35/53/573733553.db2.gz SNNKPSTXPGTEIW-QMMMGPOBSA-N 0 0 169.228 1.033 10 0 ADAERN CCC[C@@H]1C(N)=NC(=O)N1C1CC1 87007904 573733559 /nfs/dbraw/zinc/73/35/59/573733559.db2.gz OWLLUHHRJDYDLA-SSDOTTSWSA-N 0 0 181.239 1.320 10 0 ADAERN C[C@H](CC[N@H+](C)CC1CCC1)C(=O)[O-] 258895602 573733569 /nfs/dbraw/zinc/73/35/69/573733569.db2.gz NOQDNMPNWGHCHE-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)CN1C(=O)N=C(N)[C@@H]1C(C)C 87008626 573733573 /nfs/dbraw/zinc/73/35/73/573733573.db2.gz QBFZIQFJPYLPOH-QMMMGPOBSA-N 0 0 197.282 1.669 10 0 ADAERN CCc1cn2c(n1)CC[C@@H](CO)C2 258112889 573733580 /nfs/dbraw/zinc/73/35/80/573733580.db2.gz CFMHZMUNXWRJRW-MRVPVSSYSA-N 0 0 180.251 1.000 10 0 ADAERN COc1cc(CNO)c(F)cc1O 258110796 573733589 /nfs/dbraw/zinc/73/35/89/573733589.db2.gz PNRUNIDAIHGVEH-UHFFFAOYSA-N 0 0 187.170 1.019 10 0 ADAERN C[C@@H](CCO)[C@H]1CC[C@@H](C)C[C@@H]1O 144726487 573733593 /nfs/dbraw/zinc/73/35/93/573733593.db2.gz FNFZRFDWDQPQSB-YTWAJWBKSA-N 0 0 186.295 1.802 10 0 ADAERN NC1=NC(=O)N[C@H]1C1CCCCCC1 87007608 573733594 /nfs/dbraw/zinc/73/35/94/573733594.db2.gz FVWJBDXCQBJTCI-QMMMGPOBSA-N 0 0 195.266 1.615 10 0 ADAERN Cc1nn(C)cc1N[C@@H]1COC[C@@H]1C 687965487 573733595 /nfs/dbraw/zinc/73/35/95/573733595.db2.gz MAPJLANKUFZQAR-OIBJUYFYSA-N 0 0 195.266 1.175 10 0 ADAERN CCC(=O)[C@H](O)c1ccccc1OC 258895098 573733599 /nfs/dbraw/zinc/73/35/99/573733599.db2.gz UMTFIHOTHJSWLQ-LLVKDONJSA-N 0 0 194.230 1.708 10 0 ADAERN CC[C@@H]1CC[C@@]2(C1)NC(=O)N=C2N 86994611 573733616 /nfs/dbraw/zinc/73/36/16/573733616.db2.gz QKWQOQGMQMHKBC-MUWHJKNJSA-N 0 0 181.239 1.225 10 0 ADAERN CC(C)CN1C(=O)N=C(N)[C@@H]1C1CC1 87008634 573733642 /nfs/dbraw/zinc/73/36/42/573733642.db2.gz RROZJHMMBFKQDN-QMMMGPOBSA-N 0 0 195.266 1.423 10 0 ADAERN O[C@H](C(F)F)[C@H]1CCSC1 224639847 573733643 /nfs/dbraw/zinc/73/36/43/573733643.db2.gz BHYYCQPEGVLSQT-WHFBIAKZSA-N 0 0 168.208 1.366 10 0 ADAERN CC(C)C[C@H](C)[C@H]1COC[C@H]1O 687965501 573733646 /nfs/dbraw/zinc/73/36/46/573733646.db2.gz HFKRLFXCWCPILS-IVZWLZJFSA-N 0 0 172.268 1.676 10 0 ADAERN CC[C@]1(C)CC(=O)NCCS1 144783398 573733647 /nfs/dbraw/zinc/73/36/47/573733647.db2.gz LYWQBMCBBXDFAV-MRVPVSSYSA-N 0 0 173.281 1.408 10 0 ADAERN COC(=O)[C@@H](O)c1ccc(CF)cc1 258111124 573733652 /nfs/dbraw/zinc/73/36/52/573733652.db2.gz PSGZOHAWQLLIFO-VIFPVBQESA-N 0 0 198.193 1.363 10 0 ADAERN CC(=O)N[C@H]1[C@H]2[C@@H]3[C@H]2C[C@@]1(C)C3(C)C 238051862 573733661 /nfs/dbraw/zinc/73/36/61/573733661.db2.gz VGAHVDQSRWQKGW-YXZBHFDYSA-N 0 0 193.290 1.803 10 0 ADAERN CC1CCC([C@H]2NC(=O)N=C2N)CC1 87007474 573733682 /nfs/dbraw/zinc/73/36/82/573733682.db2.gz KSISNENYWJIQMB-KAVNDROISA-N 0 0 195.266 1.471 10 0 ADAERN Cc1ccc(N[C@H](C)CCO)nc1 97635669 573733691 /nfs/dbraw/zinc/73/36/91/573733691.db2.gz OWALOXZKJUKGPT-SECBINFHSA-N 0 0 180.251 1.573 10 0 ADAERN CC(=O)[C@]1(C)CC[C@H](C)[C@@]1(C)O 238489654 573733709 /nfs/dbraw/zinc/73/37/09/573733709.db2.gz UZMUOADBYAUSKU-UJNFCWOMSA-N 0 0 170.252 1.763 10 0 ADAERN CC1(C)CCC[C@]1(C)C(=O)C=O 223424803 573733727 /nfs/dbraw/zinc/73/37/27/573733727.db2.gz HBHPGBZMZSDUBX-SNVBAGLBSA-N 0 0 168.236 1.971 10 0 ADAERN O=c1ccc2cccnc2cc1 144708240 573733734 /nfs/dbraw/zinc/73/37/34/573733734.db2.gz TZAQAMZTGJNYDN-UHFFFAOYSA-N 0 0 157.172 1.595 10 0 ADAERN C[C@@]1(CO)COc2ccc(Cl)cc21 238489593 573733737 /nfs/dbraw/zinc/73/37/37/573733737.db2.gz USYDATFMOCHZQA-SNVBAGLBSA-N 0 0 198.649 1.982 10 0 ADAERN ONCc1cc(O)ccc1Cl 258109587 573733738 /nfs/dbraw/zinc/73/37/38/573733738.db2.gz YTRMNEZMKORSEF-UHFFFAOYSA-N 0 0 173.599 1.524 10 0 ADAERN CC(C)C[C@H](C)[C@H]1COC[C@@H]1O 687965496 573733739 /nfs/dbraw/zinc/73/37/39/573733739.db2.gz HFKRLFXCWCPILS-AEJSXWLSSA-N 0 0 172.268 1.676 10 0 ADAERN CC[C@@H](NN)[C@H]1Cc2ccccc2O1 97628460 573733747 /nfs/dbraw/zinc/73/37/47/573733747.db2.gz MNIITQQTSGDTQQ-MWLCHTKSSA-N 0 0 192.262 1.232 10 0 ADAERN Cn1ccc(-c2ccccc2N)c1N 258111041 573733757 /nfs/dbraw/zinc/73/37/57/573733757.db2.gz LPNGAQGREUCWHV-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)NC(=O)N=C2N 86995033 573733758 /nfs/dbraw/zinc/73/37/58/573733758.db2.gz USYLILDYGYPYRB-MATHAZKKSA-N 0 0 195.266 1.471 10 0 ADAERN CC(=O)c1nccc2[nH]ccc12 144773204 573733761 /nfs/dbraw/zinc/73/37/61/573733761.db2.gz MURZOUZKEQXTPA-UHFFFAOYSA-N 0 0 160.176 1.766 10 0 ADAERN C[C@H]1CC[C@]2(C1)C(N)=NC(=O)N2C 87009076 573733766 /nfs/dbraw/zinc/73/37/66/573733766.db2.gz MEIBQYZYMBIFFH-RCOVLWMOSA-N 0 0 181.239 1.177 10 0 ADAERN C[C@@]1(CO)COc2ccccc2C1 238489627 573733769 /nfs/dbraw/zinc/73/37/69/573733769.db2.gz HOEYCPFZFYJQBE-LLVKDONJSA-N 0 0 178.231 1.620 10 0 ADAERN CCCN1C(=O)N=C(N)[C@]1(C)CC 87008128 573733793 /nfs/dbraw/zinc/73/37/93/573733793.db2.gz MDSNNWSAISCQOU-VIFPVBQESA-N 0 0 183.255 1.568 10 0 ADAERN CC1CCC2(CC1)C(N)=NC(=O)N2C 87009219 573733801 /nfs/dbraw/zinc/73/38/01/573733801.db2.gz YFSQBCATHXFMED-UHFFFAOYSA-N 0 0 195.266 1.568 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)NC(=O)N=C2N 87007504 573733807 /nfs/dbraw/zinc/73/38/07/573733807.db2.gz BBGLZHLLJVFMHE-MUWHJKNJSA-N 0 0 181.239 1.225 10 0 ADAERN CN1C(=O)N=C(N)[C@]12CCCC2(C)C 87008788 573733813 /nfs/dbraw/zinc/73/38/13/573733813.db2.gz LJIYFFCOIGHPIT-JTQLQIEISA-N 0 0 195.266 1.568 10 0 ADAERN Cc1cc2ncccc2ccc1=O 144709047 573733814 /nfs/dbraw/zinc/73/38/14/573733814.db2.gz BKMRNSNXYOXUFM-UHFFFAOYSA-N 0 0 171.199 1.903 10 0 ADAERN OC[C@H]1CCCCCC[C@@H]1CO 144763426 573733824 /nfs/dbraw/zinc/73/38/24/573733824.db2.gz WSLMZCIEURWIHN-NXEZZACHSA-N 0 0 172.268 1.558 10 0 ADAERN CCCc1nc2ccc(OC)cn2n1 258112616 573733827 /nfs/dbraw/zinc/73/38/27/573733827.db2.gz YUCXIBBTOYHGMM-UHFFFAOYSA-N 0 0 191.234 1.690 10 0 ADAERN CC1(C)CCC[C@@]1(C)C(=O)C=O 223424745 573733829 /nfs/dbraw/zinc/73/38/29/573733829.db2.gz HBHPGBZMZSDUBX-JTQLQIEISA-N 0 0 168.236 1.971 10 0 ADAERN C[C@H]1COc2ccc(CCO)cc21 238489253 573733832 /nfs/dbraw/zinc/73/38/32/573733832.db2.gz FVUOFVJIQQNULD-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN O=Cc1cc2[nH]cccc-2c(=O)c1 108290292 573733833 /nfs/dbraw/zinc/73/38/33/573733833.db2.gz NEIPMQRLAIIQOB-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN CC(C)(C)C[C@H]1NC(=O)N=C1N 87007353 573733858 /nfs/dbraw/zinc/73/38/58/573733858.db2.gz SURHMMWMXWXJGP-RXMQYKEDSA-N 0 0 169.228 1.081 10 0 ADAERN CC(C)CN1C(=O)N=C(N)[C@@H]1C 87008561 573733880 /nfs/dbraw/zinc/73/38/80/573733880.db2.gz XYIKTIGMSNIEGK-LURJTMIESA-N 0 0 169.228 1.033 10 0 ADAERN Nc1nccc(/C=C\c2ccccn2)n1 213576743 573733887 /nfs/dbraw/zinc/73/38/87/573733887.db2.gz YMGNNTVWSYKAPY-PLNGDYQASA-N 0 0 198.229 1.624 10 0 ADAERN CC(C)(C)N1C[C@H]2C[C@H]2C1=O 258112294 573734512 /nfs/dbraw/zinc/73/45/12/573734512.db2.gz VQRFRHSGOPEXMS-RNFRBKRXSA-N 0 0 153.225 1.263 10 0 ADAERN C[C@H]1COc2ccc(N)cc21 238489306 573733893 /nfs/dbraw/zinc/73/38/93/573733893.db2.gz HWVKUIORKUUGEG-LURJTMIESA-N 0 0 149.193 1.765 10 0 ADAERN Cc1nc2c(C)[nH]nc2s1 238488767 573733897 /nfs/dbraw/zinc/73/38/97/573733897.db2.gz XLKQNMSGMVSPSK-UHFFFAOYSA-N 0 0 153.210 1.636 10 0 ADAERN CC[C@@H](NN)c1cc(C)oc1C 97684387 573733898 /nfs/dbraw/zinc/73/38/98/573733898.db2.gz AQYLWBXMAZUSOV-SECBINFHSA-N 0 0 168.240 1.811 10 0 ADAERN CC(C)[C@@H](CO)Cc1ccncc1 259173981 573733899 /nfs/dbraw/zinc/73/38/99/573733899.db2.gz DYZRUFMDMOGCJO-LLVKDONJSA-N 0 0 179.263 1.889 10 0 ADAERN Cc1c(F)ccc2c1C[NH2+]C2 238489629 573733907 /nfs/dbraw/zinc/73/39/07/573733907.db2.gz KYRBTHRWSFVEMM-UHFFFAOYSA-N 0 0 151.184 1.737 10 0 ADAERN CSCCN(C)C(=O)C1CC=CC1 393558136 573733908 /nfs/dbraw/zinc/73/39/08/573733908.db2.gz XZLCBYLCLBPNKA-UHFFFAOYSA-N 0 0 199.319 1.774 10 0 ADAERN CCCc1nc([C@@H](C)O)co1 258110718 573733909 /nfs/dbraw/zinc/73/39/09/573733909.db2.gz NZMQMPICDNUUJN-ZCFIWIBFSA-N 0 0 155.197 1.680 10 0 ADAERN C[C@@]1(CCCO)CCC=C[C@H]1O 238489925 573733925 /nfs/dbraw/zinc/73/39/25/573733925.db2.gz RIWXCXBMOGRHSW-ZJUUUORDSA-N 0 0 170.252 1.476 10 0 ADAERN Cc1nn(C)cc1N[C@H]1COC[C@H]1C 687965488 573733945 /nfs/dbraw/zinc/73/39/45/573733945.db2.gz MAPJLANKUFZQAR-XCBNKYQSSA-N 0 0 195.266 1.175 10 0 ADAERN C[C@H]1CCC[C@@H](n2ncnc2CO)C1 84000839 573733948 /nfs/dbraw/zinc/73/39/48/573733948.db2.gz HJNDQNQLCNHCMN-DTWKUNHWSA-N 0 0 195.266 1.522 10 0 ADAERN OCCc1ccc(F)c(F)c1O 258109507 573733951 /nfs/dbraw/zinc/73/39/51/573733951.db2.gz YSFPTXNKKPIWQY-UHFFFAOYSA-N 0 0 174.146 1.205 10 0 ADAERN Cc1cc(CO)nc(C(F)F)c1 238489888 573733952 /nfs/dbraw/zinc/73/39/52/573733952.db2.gz JYPYHDUDSQYLKA-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN C[C@H]1CNc2ncc(Cl)n2C1 108289765 573733954 /nfs/dbraw/zinc/73/39/54/573733954.db2.gz HCSRHOMMNLBVQB-YFKPBYRVSA-N 0 0 171.631 1.598 10 0 ADAERN C[NH+](C)Cc1cccc(C(=O)[O-])c1F 75927756 573733960 /nfs/dbraw/zinc/73/39/60/573733960.db2.gz ZTKNYUFUSMMKGJ-UHFFFAOYSA-N 0 0 197.209 1.586 10 0 ADAERN Cc1cc(C)c(-c2cc[nH]n2)c(N)[nH+]1 238489511 573733963 /nfs/dbraw/zinc/73/39/63/573733963.db2.gz MFSDJOJBVNRYRE-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN NOCc1c(F)c(F)cc(F)c1F 258110802 573733968 /nfs/dbraw/zinc/73/39/68/573733968.db2.gz PNSDSNVOQLUPLK-UHFFFAOYSA-N 0 0 195.115 1.633 10 0 ADAERN Cc1[nH]c2ncccc2c(=O)c1C 238489495 573733984 /nfs/dbraw/zinc/73/39/84/573733984.db2.gz MCFWSNHFLOERKA-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN Cc1[nH]c(C)c(C(=O)CO)c1C 238489924 573734000 /nfs/dbraw/zinc/73/40/00/573734000.db2.gz RMTAXAHAPAZLLQ-UHFFFAOYSA-N 0 0 167.208 1.115 10 0 ADAERN C[C@@H]1CCC[C@@]2(CC1)NC(=O)N=C2N 86995154 573734028 /nfs/dbraw/zinc/73/40/28/573734028.db2.gz MWQATTGXARGDTE-XCBNKYQSSA-N 0 0 195.266 1.615 10 0 ADAERN Nc1nn(C2CC2)c2c1CSCC2 257853153 573734033 /nfs/dbraw/zinc/73/40/33/573734033.db2.gz PKZIGOHLCNASCO-UHFFFAOYSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1cc(O)c(Cl)c(CO)c1 258112366 573734519 /nfs/dbraw/zinc/73/45/19/573734519.db2.gz ZCYOQTPBMXDGEA-UHFFFAOYSA-N 0 0 172.611 1.846 10 0 ADAERN Cc1ccc([C@H]([NH3+])CO)c2c1CCC2 238489397 573734050 /nfs/dbraw/zinc/73/40/50/573734050.db2.gz RVGGSZWHARWTMA-GFCCVEGCSA-N 0 0 191.274 1.476 10 0 ADAERN C[C@@]1(CO)CCCn2cccc21 238489111 573734065 /nfs/dbraw/zinc/73/40/65/573734065.db2.gz IFHMQLBNYCINKH-JTQLQIEISA-N 0 0 165.236 1.532 10 0 ADAERN O=[N+]([O-])/C=C/c1cn2ccccc2n1 83999401 573734071 /nfs/dbraw/zinc/73/40/71/573734071.db2.gz LDGCURSSCGXCMG-GQCTYLIASA-N 0 0 189.174 1.582 10 0 ADAERN CC(C)C[C@@H]1C(N)=NC(=O)N1C1CC1 87007861 573734073 /nfs/dbraw/zinc/73/40/73/573734073.db2.gz DSHZMMBEXZPBCN-MRVPVSSYSA-N 0 0 195.266 1.566 10 0 ADAERN C/C(=C\C[NH2+][C@@H]1CC[C@@H](C)C1)C(=O)[O-] 308430296 573734079 /nfs/dbraw/zinc/73/40/79/573734079.db2.gz CDLGPKLXFVWJHS-QCHKVSTKSA-N 0 0 197.278 1.796 10 0 ADAERN CC(C)(C)[C@H]1C(N)=NC(=O)N1C1CC1 87008099 573734081 /nfs/dbraw/zinc/73/40/81/573734081.db2.gz BFJSCYIPZNBNHD-SSDOTTSWSA-N 0 0 195.266 1.566 10 0 ADAERN CC[C@H](CC1CC1)N1CN[C@H](C)C1=O 126896575 573734085 /nfs/dbraw/zinc/73/40/85/573734085.db2.gz CBNHQMSHMIMMQB-PSASIEDQSA-N 0 0 196.294 1.343 10 0 ADAERN COc1cc(C)cc(C[C@@H](C)O)c1O 258111121 573734090 /nfs/dbraw/zinc/73/40/90/573734090.db2.gz PSGPZCUVVGZWNS-MRVPVSSYSA-N 0 0 196.246 1.633 10 0 ADAERN O=C(OCC1CCC1)c1ccon1 308430161 573734094 /nfs/dbraw/zinc/73/40/94/573734094.db2.gz ZKCIZNBCZSHUKT-UHFFFAOYSA-N 0 0 181.191 1.632 10 0 ADAERN C[C@]1(O)CCC[C@@]1(C)CCO 238488971 573734097 /nfs/dbraw/zinc/73/40/97/573734097.db2.gz VVSLWCVIRQXKAH-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN CC(C)C[C@]1(C)NC(=O)N=C1N 87007313 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108291801 573737686 /nfs/dbraw/zinc/73/76/86/573737686.db2.gz HSHMGPQVTXIULX-UHFFFAOYSA-N 0 0 178.187 1.538 10 0 ADAERN CCC[C@]1(C)C(N)=NC(=O)N1C(C)C 87010397 573737693 /nfs/dbraw/zinc/73/76/93/573737693.db2.gz TXSOKSLVHOBTAS-SNVBAGLBSA-N 0 0 197.282 1.956 10 0 ADAERN Cc1n[nH]c2cccc(CON)c12 258112969 573737696 /nfs/dbraw/zinc/73/76/96/573737696.db2.gz ZFSKUOWKKLOBGY-UHFFFAOYSA-N 0 0 177.207 1.262 10 0 ADAERN CC(C)C[C@@]1(C)C(N)=NC(=O)N1C 87009398 573737698 /nfs/dbraw/zinc/73/76/98/573737698.db2.gz KKTXBVLYSNDKKG-VIFPVBQESA-N 0 0 183.255 1.423 10 0 ADAERN O=C1CCCN(C2CCSCC2)C1 257853624 573737704 /nfs/dbraw/zinc/73/77/04/573737704.db2.gz NDLIBORKIQHJOF-UHFFFAOYSA-N 0 0 199.319 1.547 10 0 ADAERN CCC[C@@]1(C)C(N)=NC(=O)N1C(C)C 87010398 573737706 /nfs/dbraw/zinc/73/77/06/573737706.db2.gz TXSOKSLVHOBTAS-JTQLQIEISA-N 0 0 197.282 1.956 10 0 ADAERN C[C@H](O)C[C@@H](CCO)c1ccccc1 78591634 573737713 /nfs/dbraw/zinc/73/77/13/573737713.db2.gz IVBVNVIJBRTZIH-CMPLNLGQSA-N 0 0 194.274 1.924 10 0 ADAERN CO[C@H](C)[C@@](C)(O)[C@@H]1CCCOC1 224993122 573737718 /nfs/dbraw/zinc/73/77/18/573737718.db2.gz BRCPGRMNNFVQOH-OPRDCNLKSA-N 0 0 188.267 1.199 10 0 ADAERN CCN1C(=O)N=C(N)[C@]1(C)C(C)C 87009906 573737725 /nfs/dbraw/zinc/73/77/25/573737725.db2.gz ZEGQEGUPQXKKHI-VIFPVBQESA-N 0 0 183.255 1.423 10 0 ADAERN C[C@H](CO)c1cc(O)c2c(c1)OCO2 258113348 573737738 /nfs/dbraw/zinc/73/77/38/573737738.db2.gz PULSJESVEDOLKQ-ZCFIWIBFSA-N 0 0 196.202 1.217 10 0 ADAERN OC[C@@H](F)c1ccc(F)cc1F 108291203 573737751 /nfs/dbraw/zinc/73/77/51/573737751.db2.gz LFRINPTUQIERAD-MRVPVSSYSA-N 0 0 176.137 1.968 10 0 ADAERN O=C1CCCC(O)CCC1 143231070 573737758 /nfs/dbraw/zinc/73/77/58/573737758.db2.gz NLHMEDONKJSZSD-MRVPVSSYSA-N 0 0 142.198 1.753 10 0 ADAERN CC(=O)C(C)=CC=CC(CO)CO 393559523 573737767 /nfs/dbraw/zinc/73/77/67/573737767.db2.gz XEXDPKFFZUWCRB-MSLMYCKWSA-N 0 0 184.235 1.161 10 0 ADAERN C[C@](F)(CO)c1ccc2c(c1)CCO2 257854058 573737776 /nfs/dbraw/zinc/73/77/76/573737776.db2.gz SQUNZCULTWDCBW-NSHDSACASA-N 0 0 196.221 1.799 10 0 ADAERN NC(=O)[C@H](O)c1ccccc1C1CC1 87015375 573737811 /nfs/dbraw/zinc/73/78/11/573737811.db2.gz XUPVWXUGNGHXJP-SNVBAGLBSA-N 0 0 191.230 1.083 10 0 ADAERN OCCn1cnc2ccc(F)cc21 75935137 573737837 /nfs/dbraw/zinc/73/78/37/573737837.db2.gz AHDITZNBMAKKAY-UHFFFAOYSA-N 0 0 180.182 1.168 10 0 ADAERN CC(C)CC(=O)[C@H](CO)C(C)C 78589700 573737843 /nfs/dbraw/zinc/73/78/43/573737843.db2.gz FJMJMEYYXUOVRZ-SECBINFHSA-N 0 0 172.268 1.866 10 0 ADAERN C/C=C1\C(=O)N[C@@H]1C[Si](C)(C)C 238073781 573738242 /nfs/dbraw/zinc/73/82/42/573738242.db2.gz RKBWUZMELKAOFB-GRKOMRHMSA-N 0 0 183.327 1.769 10 0 ADAERN C[C@H]1O[C@@H]1C(=O)C(C)(C)C 143245663 573737856 /nfs/dbraw/zinc/73/78/56/573737856.db2.gz UKWZEJOQLCULGT-RITPCOANSA-N 0 0 142.198 1.389 10 0 ADAERN CC(C)n1c2c(oc1=O)CCCC2 258114961 573737860 /nfs/dbraw/zinc/73/78/60/573737860.db2.gz ZKVPNKMFEVINSO-UHFFFAOYSA-N 0 0 181.235 1.901 10 0 ADAERN COC1C[C@@H]2CC[C@H](C1)C2=O 143211109 573737869 /nfs/dbraw/zinc/73/78/69/573737869.db2.gz QODHVIYBOCQUTJ-DHBOJHSNSA-N 0 0 154.209 1.391 10 0 ADAERN CCN1C(=O)N=C(N)[C@H]1CC(C)C 87009888 573737875 /nfs/dbraw/zinc/73/78/75/573737875.db2.gz IBGPSSBWWVGVND-SSDOTTSWSA-N 0 0 183.255 1.423 10 0 ADAERN CCOC(=O)NC[Si](C)(C)C 197656947 573737878 /nfs/dbraw/zinc/73/78/78/573737878.db2.gz RNZACBGTNIXVGF-UHFFFAOYSA-N 0 0 175.304 1.610 10 0 ADAERN CC(O)=C1CCCSC1=O 238075057 573737886 /nfs/dbraw/zinc/73/78/86/573737886.db2.gz SODLWOAYEVXVMZ-ZCFIWIBFSA-N 0 0 158.222 1.245 10 0 ADAERN CCN1C(=O)N=C(N)[C@H]1C(C)C 87009950 573737888 /nfs/dbraw/zinc/73/78/88/573737888.db2.gz XHSFIOIHXODJFS-ZCFIWIBFSA-N 0 0 169.228 1.033 10 0 ADAERN CCN1C(=O)N=C(N)[C@]12CC[C@@H](C)C2 87009830 573737896 /nfs/dbraw/zinc/73/78/96/573737896.db2.gz YCTFNHYNTLXNAX-GMSGAONNSA-N 0 0 195.266 1.568 10 0 ADAERN OCCn1cnc2cccc(F)c21 75935136 573737903 /nfs/dbraw/zinc/73/79/03/573737903.db2.gz KUUUIUJSKYPFJX-UHFFFAOYSA-N 0 0 180.182 1.168 10 0 ADAERN CCN1C(=O)N=C(N)C12CCCCC2 87010037 573737915 /nfs/dbraw/zinc/73/79/15/573737915.db2.gz OSKCUPFZVUBCOG-UHFFFAOYSA-N 0 0 195.266 1.712 10 0 ADAERN CCN1C(=O)N=C(N)C12CCCC2 87009639 573737934 /nfs/dbraw/zinc/73/79/34/573737934.db2.gz PQRZNLHZYOHVAJ-UHFFFAOYSA-N 0 0 181.239 1.322 10 0 ADAERN NOCc1c(F)cc2cc[nH]c2c1F 258113373 573737937 /nfs/dbraw/zinc/73/79/37/573737937.db2.gz PUZWIENHDPNZFY-UHFFFAOYSA-N 0 0 198.172 1.836 10 0 ADAERN C[C@@H]1CO[C@H](CC2CCCC2)C[NH2+]1 108295973 573737942 /nfs/dbraw/zinc/73/79/42/573737942.db2.gz ODFLLAOFDGBALK-MWLCHTKSSA-N 0 0 183.295 1.944 10 0 ADAERN Cc1c(F)ccc(F)c1N 75926515 573737952 /nfs/dbraw/zinc/73/79/52/573737952.db2.gz MDITWCBKTOPBBJ-UHFFFAOYSA-N 0 0 143.136 1.855 10 0 ADAERN CC(C)OC(=O)NC[C@H]1CCCO1 126899530 573737960 /nfs/dbraw/zinc/73/79/60/573737960.db2.gz XDTGOVABDFCIGP-MRVPVSSYSA-N 0 0 187.239 1.300 10 0 ADAERN CCN1C(=O)N=C(N)[C@]12CC[C@H](C)C2 87009826 573737961 /nfs/dbraw/zinc/73/79/61/573737961.db2.gz YCTFNHYNTLXNAX-OIBJUYFYSA-N 0 0 195.266 1.568 10 0 ADAERN O=C1NCCc2ccc(C3CC3)cc21 87013742 573737969 /nfs/dbraw/zinc/73/79/69/573737969.db2.gz BTUMXVAGTYQXEE-UHFFFAOYSA-N 0 0 187.242 1.850 10 0 ADAERN OCC1=CO[C@@]2(CCCCO2)CC1 223511996 573737976 /nfs/dbraw/zinc/73/79/76/573737976.db2.gz LHYGQUALGJCXHL-JTQLQIEISA-N 0 0 184.235 1.570 10 0 ADAERN COCc1ccc2[nH]c(=O)oc2c1 259564275 573737977 /nfs/dbraw/zinc/73/79/77/573737977.db2.gz YERJYOWTVKECQZ-UHFFFAOYSA-N 0 0 179.175 1.268 10 0 ADAERN CC(C)[C@H]1C(N)=NC(=O)N1C(C)C 87010573 573738247 /nfs/dbraw/zinc/73/82/47/573738247.db2.gz CHZCSSSQOGFWSS-ZETCQYMHSA-N 0 0 183.255 1.422 10 0 ADAERN CC1CC(O)([C@@H]2CCCOC2)C1 224999261 573738004 /nfs/dbraw/zinc/73/80/04/573738004.db2.gz IRWALHVNQKIGFK-HWOCKDDLSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@H](C[C@@H]([NH3+])c1cc[nH]c1)C(=O)[O-] 259564257 573738249 /nfs/dbraw/zinc/73/82/49/573738249.db2.gz YEIZOHHSSOCWQT-HTRCEHHLSA-N 0 0 182.223 1.125 10 0 ADAERN CC[C@@H](C)c1ccc([C@H](N)NN)cc1 259619783 573738026 /nfs/dbraw/zinc/73/80/26/573738026.db2.gz XVTVKWROFWYEQF-LDYMZIIASA-N 0 0 193.294 1.621 10 0 ADAERN Cc1cc(O)c(Cl)c(CNO)c1 258113390 573738029 /nfs/dbraw/zinc/73/80/29/573738029.db2.gz PVKNYSAOCPPTOZ-UHFFFAOYSA-N 0 0 187.626 1.833 10 0 ADAERN OCC[C@@H]1C[C@@]1(O)c1ccccc1 197640447 573738033 /nfs/dbraw/zinc/73/80/33/573738033.db2.gz CBPMUKHESGVZCH-GHMZBOCLSA-N 0 0 178.231 1.277 10 0 ADAERN CN(C(N)=O)c1ccc(C=O)cc1 108291850 573738034 /nfs/dbraw/zinc/73/80/34/573738034.db2.gz PVRGXQPXZOXQND-UHFFFAOYSA-N 0 0 178.191 1.014 10 0 ADAERN C[C@H]1CO[C@@H](CC2CCCC2)C[NH2+]1 108295980 573738050 /nfs/dbraw/zinc/73/80/50/573738050.db2.gz ODFLLAOFDGBALK-ONGXEEELSA-N 0 0 183.295 1.944 10 0 ADAERN Cc1csc(Nc2cnccn2)n1 238502490 573738061 /nfs/dbraw/zinc/73/80/61/573738061.db2.gz IDMJYLKFOQZQCO-UHFFFAOYSA-N 0 0 192.247 1.985 10 0 ADAERN CC(C)C1=CCCC[C@H](O)[C@H]1O 224988171 573738098 /nfs/dbraw/zinc/73/80/98/573738098.db2.gz QBKSRFDWORGERU-UWVGGRQHSA-N 0 0 170.252 1.475 10 0 ADAERN Cc1ccc([C@H]2COC[C@H](C)N2)o1 108293715 573738100 /nfs/dbraw/zinc/73/81/00/573738100.db2.gz XNWRXQPKYLNPHS-IONNQARKSA-N 0 0 181.235 1.637 10 0 ADAERN CC(C)N1C(=O)N=C(N)C12CCC2 87010476 573738103 /nfs/dbraw/zinc/73/81/03/573738103.db2.gz SPRFSDFZWKLCQU-UHFFFAOYSA-N 0 0 181.239 1.320 10 0 ADAERN CC(=O)c1ccc2nc(C)[nH]c2n1 238072257 573738120 /nfs/dbraw/zinc/73/81/20/573738120.db2.gz AOVRVGBBQJUESD-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN CC[C@H](C)c1ccc([C@@H](N)NN)cc1 259619776 573738121 /nfs/dbraw/zinc/73/81/21/573738121.db2.gz XVTVKWROFWYEQF-KWQFWETISA-N 0 0 193.294 1.621 10 0 ADAERN CCN1C(=O)N=C(N)[C@@]1(CC)C1CC1 87009634 573738123 /nfs/dbraw/zinc/73/81/23/573738123.db2.gz NIQASOFBASBFDT-SNVBAGLBSA-N 0 0 195.266 1.568 10 0 ADAERN O[C@@]1([C@H]2CCCOC2)C=CCCC1 224991353 573738132 /nfs/dbraw/zinc/73/81/32/573738132.db2.gz OJABGNUEBXZPKG-QWRGUYRKSA-N 0 0 182.263 1.884 10 0 ADAERN NC(=O)[C@H]([NH3+])c1ccc(C2CC2)cc1 87012199 573738141 /nfs/dbraw/zinc/73/81/41/573738141.db2.gz CGENWBHLYUKIGH-SNVBAGLBSA-N 0 0 190.246 1.049 10 0 ADAERN CC(C)C1=CCCC[C@@H](O)[C@@H]1O 224988130 573738145 /nfs/dbraw/zinc/73/81/45/573738145.db2.gz QBKSRFDWORGERU-NXEZZACHSA-N 0 0 170.252 1.475 10 0 ADAERN O=Cc1nc2cnccn2c1Cl 108294188 573738150 /nfs/dbraw/zinc/73/81/50/573738150.db2.gz SJBAJEZJVSZMQQ-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN ONCc1ccc(C2COC2)cc1 258114715 573738251 /nfs/dbraw/zinc/73/82/51/573738251.db2.gz ZGFSETLOQLUFFR-UHFFFAOYSA-N 0 0 179.219 1.279 10 0 ADAERN COc1cc(F)cc(CON)c1C 258113498 573738256 /nfs/dbraw/zinc/73/82/56/573738256.db2.gz PYYJQTAAWQLVLR-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN Cc1ncc(C2CC2)c(=O)[nH]1 258420299 573740144 /nfs/dbraw/zinc/74/01/44/573740144.db2.gz CSAOCQSBRJLPOZ-UHFFFAOYSA-N 0 0 150.181 1.368 10 0 ADAERN C[C@H]1CCC[C@@]2(C1)C(N)=NC(=O)N2C 87009513 573740863 /nfs/dbraw/zinc/74/08/63/573740863.db2.gz PDQKZQPUUFGSQE-OIBJUYFYSA-N 0 0 195.266 1.568 10 0 ADAERN OCC[C@@H]1C[C@]1(O)c1ccccc1 197640456 573740864 /nfs/dbraw/zinc/74/08/64/573740864.db2.gz CBPMUKHESGVZCH-MNOVXSKESA-N 0 0 178.231 1.277 10 0 ADAERN C[C@H]1CCCC[C@@]12C(N)=NC(=O)N2C 87009324 573740888 /nfs/dbraw/zinc/74/08/88/573740888.db2.gz PVXFNXOUKNPOTB-XVKPBYJWSA-N 0 0 195.266 1.568 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)[C@H](O)[C@@H](C)N2 238500023 573740889 /nfs/dbraw/zinc/74/08/89/573740889.db2.gz FWMZKROELXEJHC-ONOSFVFSSA-N 0 0 193.246 1.203 10 0 ADAERN CC(C)(O)c1cccc(CO)c1O 258103655 573740935 /nfs/dbraw/zinc/74/09/35/573740935.db2.gz OZDQZFJGKKKNEQ-UHFFFAOYSA-N 0 0 182.219 1.112 10 0 ADAERN CC/C(=C\c1ccc(OC)nc1)CO 308430559 573741005 /nfs/dbraw/zinc/74/10/05/573741005.db2.gz DDKDOAXXEYOWSS-RMKNXTFCSA-N 0 0 193.246 1.876 10 0 ADAERN O=c1nc(Cc2ccccc2F)o[nH]1 258115207 573741006 /nfs/dbraw/zinc/74/10/06/573741006.db2.gz SXZSNWVVWBTETG-UHFFFAOYSA-N 0 0 194.165 1.505 10 0 ADAERN C[C@H](O)c1coc([C@@H]2CCOC2)n1 258115433 573740973 /nfs/dbraw/zinc/74/09/73/573740973.db2.gz OHNGEEVKZOHIEL-NKWVEPMBSA-N 0 0 183.207 1.232 10 0 ADAERN COC(=N)COC(C)C 143286142 573740975 /nfs/dbraw/zinc/74/09/75/573740975.db2.gz HULAPGQHZWKPSN-UHFFFAOYSA-N 0 0 131.175 1.035 10 0 ADAERN C[C@@H](O)Cc1noc(C2CCCC2)n1 258115103 573739717 /nfs/dbraw/zinc/73/97/17/573739717.db2.gz SWAKWUUUPLDXOI-SSDOTTSWSA-N 0 0 196.250 1.651 10 0 ADAERN NC(=O)[C@@H](O)c1ccccc1C1CC1 87015373 573739719 /nfs/dbraw/zinc/73/97/19/573739719.db2.gz XUPVWXUGNGHXJP-JTQLQIEISA-N 0 0 191.230 1.083 10 0 ADAERN Cc1ccc([C@H]2COC[C@@H](C)N2)o1 108293721 573739730 /nfs/dbraw/zinc/73/97/30/573739730.db2.gz XNWRXQPKYLNPHS-VXNVDRBHSA-N 0 0 181.235 1.637 10 0 ADAERN CCN1C(=O)N=C(N)[C@]1(CC)C(C)C 87010039 573739731 /nfs/dbraw/zinc/73/97/31/573739731.db2.gz RPUWYKUGTRCVFY-JTQLQIEISA-N 0 0 197.282 1.814 10 0 ADAERN Cc1ccc(F)n2nccc12 238500177 573739743 /nfs/dbraw/zinc/73/97/43/573739743.db2.gz RELVDBCZRCJABN-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN CC[C@H](C)[C@@]1(C)C(N)=NC(=O)N1CC 87009975 573739753 /nfs/dbraw/zinc/73/97/53/573739753.db2.gz ZVHSKONRQYHOHJ-XVKPBYJWSA-N 0 0 197.282 1.814 10 0 ADAERN O=C(CCC(F)F)OCCCCO 308427230 573739757 /nfs/dbraw/zinc/73/97/57/573739757.db2.gz XVQPWXHVEXXDLM-UHFFFAOYSA-N 0 0 196.193 1.347 10 0 ADAERN CN(C)c1ccc(CC2(O)CC2)cc1 258103770 573739758 /nfs/dbraw/zinc/73/97/58/573739758.db2.gz PBNINRNEBZHXCC-UHFFFAOYSA-N 0 0 191.274 1.820 10 0 ADAERN [NH3+][C@@H](CO)c1cccc(C2CC2)c1 87012957 573739761 /nfs/dbraw/zinc/73/97/61/573739761.db2.gz LWTYFMCDQQMJIH-NSHDSACASA-N 0 0 177.247 1.556 10 0 ADAERN Cc1cc2c(cc(C=O)n2C)o1 258420322 573739766 /nfs/dbraw/zinc/73/97/66/573739766.db2.gz BYLZCDXJHXFMFY-UHFFFAOYSA-N 0 0 163.176 1.892 10 0 ADAERN C[S@@](=O)c1ccnc2[nH]ccc12 238500329 573739768 /nfs/dbraw/zinc/73/97/68/573739768.db2.gz GUJHYQLXLKLMLI-GFCCVEGCSA-N 0 0 180.232 1.300 10 0 ADAERN C[C@@H](O)Cc1c(O)ccc2c1OCO2 258103637 573739772 /nfs/dbraw/zinc/73/97/72/573739772.db2.gz OYUVDJIIKUGLRD-ZCFIWIBFSA-N 0 0 196.202 1.044 10 0 ADAERN Nc1csnc1-c1ccccn1 84005590 573739776 /nfs/dbraw/zinc/73/97/76/573739776.db2.gz IAMCQFDIMNQNMT-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN CC[C@H](C)[C@@H]1C(N)=NC(=O)N1C(C)C 87010414 573739777 /nfs/dbraw/zinc/73/97/77/573739777.db2.gz SNWUXWBCLVOEGK-JGVFFNPUSA-N 0 0 197.282 1.812 10 0 ADAERN C[C@H]1C[C@@H](O)C(C)(C)CS1 238502338 573739783 /nfs/dbraw/zinc/73/97/83/573739783.db2.gz JWWDUDKDNXMDAZ-NKWVEPMBSA-N 0 0 160.282 1.899 10 0 ADAERN O=C1C=C2c3[nH]ccc3CC[C@@H]2O1 143280195 573739800 /nfs/dbraw/zinc/73/98/00/573739800.db2.gz KIYOPKHDJLTMOD-QMMMGPOBSA-N 0 0 175.187 1.270 10 0 ADAERN C[C@]([NH3+])(CCO)c1ccc([S-])cc1 238502177 573739807 /nfs/dbraw/zinc/73/98/07/573739807.db2.gz CBALTLDSQLFAKL-JTQLQIEISA-N 0 0 197.303 1.532 10 0 ADAERN C[C@@H]1[C@H](O)[C@@](C)(CO)[C@@H]2CCCC[C@@H]12 143200684 573739817 /nfs/dbraw/zinc/73/98/17/573739817.db2.gz HOEDNDUHAHURIL-SVNGYHJRSA-N 0 0 198.306 1.802 10 0 ADAERN NC(=O)[C@@H](O)c1ccc(C2CC2)cc1 87012988 573739837 /nfs/dbraw/zinc/73/98/37/573739837.db2.gz MMFBYZMIXURNRC-JTQLQIEISA-N 0 0 191.230 1.083 10 0 ADAERN CCc1nc2n(c1C=O)CCCN2 259174171 573739838 /nfs/dbraw/zinc/73/98/38/573739838.db2.gz LVJGMIIHQTWTSU-UHFFFAOYSA-N 0 0 179.223 1.074 10 0 ADAERN COc1ccccc1C[C@@H](F)[C@H](C)O 257858733 573739841 /nfs/dbraw/zinc/73/98/41/573739841.db2.gz ODGMRYOQVHCLGN-WCBMZHEXSA-N 0 0 198.237 1.957 10 0 ADAERN O[C@H]1CC2(CC2)C12CC2 223456082 573739852 /nfs/dbraw/zinc/73/98/52/573739852.db2.gz FCTOPMIBZHFELW-LURJTMIESA-N 0 0 124.183 1.311 10 0 ADAERN CSc1nc(N)nc2[nH]ccc12 108292932 573739860 /nfs/dbraw/zinc/73/98/60/573739860.db2.gz ZQVUOMVYXJDKJF-UHFFFAOYSA-N 0 0 180.236 1.262 10 0 ADAERN C[C@@H]1C=CC(C)(C)[C@H](O)C1 238502322 573739870 /nfs/dbraw/zinc/73/98/70/573739870.db2.gz RFRMQBHXNGQGGS-HTQZYQBOSA-N 0 0 140.226 1.970 10 0 ADAERN CC(C)(C)Cc1cn[nH]c(=O)c1N 258115053 573739872 /nfs/dbraw/zinc/73/98/72/573739872.db2.gz ZAOMZVOBCHAUIX-UHFFFAOYSA-N 0 0 181.239 1.353 10 0 ADAERN CC(=O)[C@H]1CCC=C2C=CCO[C@@H]21 238072631 573739874 /nfs/dbraw/zinc/73/98/74/573739874.db2.gz SSEIHYKNSREOHI-MNOVXSKESA-N 0 0 178.231 1.867 10 0 ADAERN O=C(/C=C/C1CC1)OCCCCO 308427090 573739875 /nfs/dbraw/zinc/73/98/75/573739875.db2.gz 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/nfs/dbraw/zinc/74/06/63/573740663.db2.gz IZHRNHBVZCYABL-UHFFFAOYSA-N 0 0 179.610 1.384 10 0 ADAERN CC[C@H](CC1CC1)N1C(=O)CN[C@H]1C 126980192 573740675 /nfs/dbraw/zinc/74/06/75/573740675.db2.gz OSWOWZMZIZFZIV-PSASIEDQSA-N 0 0 196.294 1.343 10 0 ADAERN CON(C)C(=O)NCC1(F)CCC1 308427382 573740679 /nfs/dbraw/zinc/74/06/79/573740679.db2.gz RSSLSIVUSYPUDA-UHFFFAOYSA-N 0 0 190.218 1.081 10 0 ADAERN CC[C@H](C)[C@H]1C(N)=NC(=O)N1C(C)C 87010418 573740684 /nfs/dbraw/zinc/74/06/84/573740684.db2.gz SNWUXWBCLVOEGK-YUMQZZPRSA-N 0 0 197.282 1.812 10 0 ADAERN CCN1C(=O)N=C(N)[C@@H]1C(C)C 87009952 573740695 /nfs/dbraw/zinc/74/06/95/573740695.db2.gz XHSFIOIHXODJFS-LURJTMIESA-N 0 0 169.228 1.033 10 0 ADAERN CCCc1cnnc(Cl)n1 258420124 573740701 /nfs/dbraw/zinc/74/07/01/573740701.db2.gz BXDOCXHJXWMNRS-UHFFFAOYSA-N 0 0 157.604 1.478 10 0 ADAERN Cc1ccccc1CC[C@@](C)(O)CO 257858561 573740712 /nfs/dbraw/zinc/74/07/12/573740712.db2.gz QMEDWBCOAATQIT-GFCCVEGCSA-N 0 0 194.274 1.671 10 0 ADAERN 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573741204 /nfs/dbraw/zinc/74/12/04/573741204.db2.gz BHXIMZJODVBSJL-UHFFFAOYSA-N 0 0 174.250 1.229 10 0 ADAERN CCc1nnc([C@H](CC)N(C)C)o1 308427847 573741209 /nfs/dbraw/zinc/74/12/09/573741209.db2.gz RZMMSTAVZMTDFJ-ZETCQYMHSA-N 0 0 183.255 1.645 10 0 ADAERN CC(=O)C1=C(O)CC(C)(C)CC1 238071715 573741217 /nfs/dbraw/zinc/74/12/17/573741217.db2.gz QKFFVZCZLXNYQI-MRVPVSSYSA-N 0 0 168.236 1.971 10 0 ADAERN COC[C@H](O)c1ccc(C)s1 84007677 573741231 /nfs/dbraw/zinc/74/12/31/573741231.db2.gz CJGPMCWNZGUDHP-ZETCQYMHSA-N 0 0 172.249 1.736 10 0 ADAERN CC(=O)c1ccn(C2CC2)n1 238074668 573741438 /nfs/dbraw/zinc/74/14/38/573741438.db2.gz VDNLEFLDCRHYDQ-UHFFFAOYSA-N 0 0 150.181 1.421 10 0 ADAERN CC[C@@H](COC(C)(C)C)NN 126913682 573741439 /nfs/dbraw/zinc/74/14/39/573741439.db2.gz GXZIQVMTTZCKJP-ZETCQYMHSA-N 0 0 160.261 1.043 10 0 ADAERN C[C@@]1(c2ccccc2)C[C@H](O)OC1=O 238502478 573741244 /nfs/dbraw/zinc/74/12/44/573741244.db2.gz ZXOOMNQSHVLREW-KOLCDFICSA-N 0 0 192.214 1.210 10 0 ADAERN CN(C=O)Cc1ccc(F)cc1 79106140 573741249 /nfs/dbraw/zinc/74/12/49/573741249.db2.gz GZWOJHXVYQJBMU-UHFFFAOYSA-N 0 0 167.183 1.414 10 0 ADAERN C[C@](O)(c1ccoc1)[C@H]1CCCOC1 224982573 573741253 /nfs/dbraw/zinc/74/12/53/573741253.db2.gz VWDZBHPPYNMAPP-GXSJLCMTSA-N 0 0 196.246 1.914 10 0 ADAERN C[C@@](O)(CC1CC1)[C@@H]1CCCOC1 224994114 573741258 /nfs/dbraw/zinc/74/12/58/573741258.db2.gz AGUVESIMIRWPOR-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN O[C@]1([C@H]2CCCOC2)C=CCCC1 224991395 573741277 /nfs/dbraw/zinc/74/12/77/573741277.db2.gz OJABGNUEBXZPKG-WDEREUQCSA-N 0 0 182.263 1.884 10 0 ADAERN CC(=O)O[C@@H]1O[C@@H](O)c2ccccc21 238073206 573741281 /nfs/dbraw/zinc/74/12/81/573741281.db2.gz ZJYUIJRMDXSCGB-NXEZZACHSA-N 0 0 194.186 1.269 10 0 ADAERN CCC[C@]1(C)NC(=O)[C@@H]([C@H](C)CC)N1 308697471 573741434 /nfs/dbraw/zinc/74/14/34/573741434.db2.gz TWYNZGPGILWMMB-KKZNHRDASA-N 0 0 198.310 1.637 10 0 ADAERN O[C@H](c1nccs1)[C@H]1CCCOC1 224989868 573741307 /nfs/dbraw/zinc/74/13/07/573741307.db2.gz SRXNYPRXIDLWFT-YUMQZZPRSA-N 0 0 199.275 1.603 10 0 ADAERN CC(=O)[C@H]1CCC(=O)CC12CC2 238071387 573741325 /nfs/dbraw/zinc/74/13/25/573741325.db2.gz ALNNJIWVPRSVDR-SECBINFHSA-N 0 0 166.220 1.725 10 0 ADAERN CSc1ncnc(C)c1C(C)=O 108294687 573741329 /nfs/dbraw/zinc/74/13/29/573741329.db2.gz PDLIDZQGJMRIFP-UHFFFAOYSA-N 0 0 182.248 1.710 10 0 ADAERN COc1cc(CO)ccc1SC 143255975 573741342 /nfs/dbraw/zinc/74/13/42/573741342.db2.gz NBYRGBPHQWULDZ-UHFFFAOYSA-N 0 0 184.260 1.909 10 0 ADAERN Cc1c(C=O)c(C2CC2)nn1C 238499971 573741348 /nfs/dbraw/zinc/74/13/48/573741348.db2.gz RXPTVWSQRCODAZ-UHFFFAOYSA-N 0 0 164.208 1.418 10 0 ADAERN O=C1NC[C@H](C[C@@H]2CCCCO2)O1 258115876 573741354 /nfs/dbraw/zinc/74/13/54/573741354.db2.gz CHNMNHYWCYMXSA-YUMQZZPRSA-N 0 0 185.223 1.054 10 0 ADAERN Cc1cc(C)c(=O)c2cnc(N)[nH]c1-2 238500238 573741355 /nfs/dbraw/zinc/74/13/55/573741355.db2.gz CMMADJNVFVZWEV-UHFFFAOYSA-N 0 0 189.218 1.534 10 0 ADAERN COc1ccccc1[C@@H]1CC(N)=NO1 257859188 573741356 /nfs/dbraw/zinc/74/13/56/573741356.db2.gz QOTXVGUJISLFOG-VIFPVBQESA-N 0 0 192.218 1.429 10 0 ADAERN O=C1Nc2ccc(O)cc2OC12CC2 258420396 573741361 /nfs/dbraw/zinc/74/13/61/573741361.db2.gz DTSKMMPGRZJTFA-UHFFFAOYSA-N 0 0 191.186 1.256 10 0 ADAERN O=C(CCC(F)F)O[C@H]1CCOC1 308427738 573741370 /nfs/dbraw/zinc/74/13/70/573741370.db2.gz YDERLRDIZLISBO-LURJTMIESA-N 0 0 194.177 1.364 10 0 ADAERN OCC[C@H]1C[C@@]1(O)c1ccccc1 197640438 573741389 /nfs/dbraw/zinc/74/13/89/573741389.db2.gz CBPMUKHESGVZCH-WDEREUQCSA-N 0 0 178.231 1.277 10 0 ADAERN Cc1csc2[nH]c(=O)nc(N)c12 108293679 573741467 /nfs/dbraw/zinc/74/14/67/573741467.db2.gz OWOIVJYKGXHQGQ-UHFFFAOYSA-N 0 0 181.220 1.288 10 0 ADAERN NOCc1cccc(F)c1CF 258102091 573741501 /nfs/dbraw/zinc/74/15/01/573741501.db2.gz XZRSNOBVIZIKNW-UHFFFAOYSA-N 0 0 173.162 1.686 10 0 ADAERN CC(=O)c1cccc(OC2CC2)n1 238073313 573741508 /nfs/dbraw/zinc/74/15/08/573741508.db2.gz QYSUIVIRALVWLS-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN O=C1NC[C@@H](C[C@@H]2CCCCO2)O1 258115868 573741513 /nfs/dbraw/zinc/74/15/13/573741513.db2.gz CHNMNHYWCYMXSA-JGVFFNPUSA-N 0 0 185.223 1.054 10 0 ADAERN O=C1NC[C@H](C[C@H]2CCCCO2)O1 258115871 573741534 /nfs/dbraw/zinc/74/15/34/573741534.db2.gz CHNMNHYWCYMXSA-SFYZADRCSA-N 0 0 185.223 1.054 10 0 ADAERN O=c1[nH]ccc2cc3ccccc3n12 108296541 573741552 /nfs/dbraw/zinc/74/15/52/573741552.db2.gz ZLZPGLYUHZQHGG-UHFFFAOYSA-N 0 0 184.198 1.781 10 0 ADAERN Cc1ccc([C@@H]2COC[C@@H](C)N2)o1 108293718 573741573 /nfs/dbraw/zinc/74/15/73/573741573.db2.gz XNWRXQPKYLNPHS-APPZFPTMSA-N 0 0 181.235 1.637 10 0 ADAERN CCCCCC1(CCO)OCCO1 143194856 573741597 /nfs/dbraw/zinc/74/15/97/573741597.db2.gz SQDJWASRTOTVLL-UHFFFAOYSA-N 0 0 188.267 1.692 10 0 ADAERN C[C@@]1(CO)Cc2ccccc2N1N=O 238490007 573741623 /nfs/dbraw/zinc/74/16/23/573741623.db2.gz ZOKAGKSZVDKDJD-JTQLQIEISA-N 0 0 192.218 1.482 10 0 ADAERN C[NH2+][C@@](C)(Cc1ccsc1)C(=O)[O-] 689891217 573742183 /nfs/dbraw/zinc/74/21/83/573742183.db2.gz LAABTMVNCCVFIR-VIFPVBQESA-N 0 0 199.275 1.353 10 0 ADAERN CCc1nnc([C@@H](CC)N(C)C)o1 308427845 573741698 /nfs/dbraw/zinc/74/16/98/573741698.db2.gz RZMMSTAVZMTDFJ-SSDOTTSWSA-N 0 0 183.255 1.645 10 0 ADAERN CC[C@H](COC(C)(C)C)NN 126913922 573741745 /nfs/dbraw/zinc/74/17/45/573741745.db2.gz GXZIQVMTTZCKJP-SSDOTTSWSA-N 0 0 160.261 1.043 10 0 ADAERN CONCc1cc(C)c(OC)cc1F 258102719 573741747 /nfs/dbraw/zinc/74/17/47/573741747.db2.gz KOPLAVRILDIEAR-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN COc1ccc2c(c1C=O)CCC2 108291258 573741759 /nfs/dbraw/zinc/74/17/59/573741759.db2.gz HYXYGFIQXMTZHK-UHFFFAOYSA-N 0 0 176.215 1.996 10 0 ADAERN NC(=O)C[C@@H]1CCC[C@@H]1F 258420007 573741767 /nfs/dbraw/zinc/74/17/67/573741767.db2.gz BWKRIGOTJPGNQS-WDSKDSINSA-N 0 0 145.177 1.000 10 0 ADAERN Cn1ncc(Cl)c1[C@@H](F)CO 108292110 573741799 /nfs/dbraw/zinc/74/17/99/573741799.db2.gz JGIRSFKUVBTTRL-YFKPBYRVSA-N 0 0 178.594 1.076 10 0 ADAERN Cn1c(N)nc2c(c1=S)CCC2 108294114 573741814 /nfs/dbraw/zinc/74/18/14/573741814.db2.gz QFBLFQBZPHFVJQ-UHFFFAOYSA-N 0 0 181.264 1.220 10 0 ADAERN O=c1[nH]c2ccc(F)c(F)c2[nH]1 75946231 573741817 /nfs/dbraw/zinc/74/18/17/573741817.db2.gz MQZDDGZLHBLPOT-UHFFFAOYSA-N 0 0 170.118 1.134 10 0 ADAERN CCOC(=O)[C@H](C)NC1CC=CC1 131039415 573741822 /nfs/dbraw/zinc/74/18/22/573741822.db2.gz WKQRPBIWQWHJPF-QMMMGPOBSA-N 0 0 183.251 1.246 10 0 ADAERN C(=Cc1ncsn1)c1c[nH]cn1 143263142 573741867 /nfs/dbraw/zinc/74/18/67/573741867.db2.gz KBGARCBABKEBMK-OWOJBTEDSA-N 0 0 178.220 1.432 10 0 ADAERN Nc1cc(C[C@@H]2CCCS2)[nH]n1 258420367 573741876 /nfs/dbraw/zinc/74/18/76/573741876.db2.gz DTGGBRUJICDHOA-ZETCQYMHSA-N 0 0 183.280 1.430 10 0 ADAERN C[C@H](CO)c1ccc(F)c(CO)c1 258103559 573741878 /nfs/dbraw/zinc/74/18/78/573741878.db2.gz OXEHNPGHTXWGEF-SSDOTTSWSA-N 0 0 184.210 1.414 10 0 ADAERN Cc1nc2c(C)nc(N)nc2s1 108292935 573741881 /nfs/dbraw/zinc/74/18/81/573741881.db2.gz OBZAIDGWMDMOPI-UHFFFAOYSA-N 0 0 180.236 1.285 10 0 ADAERN C/C=C/[C@H]1CO[C@H](/C=C/C)O1 223454781 573741883 /nfs/dbraw/zinc/74/18/83/573741883.db2.gz ONBVQOOASNSNCF-NYDMHHSESA-N 0 0 154.209 1.880 10 0 ADAERN O=C([O-])[C@H]1CCCCCCCC[NH2+]1 143215077 573741897 /nfs/dbraw/zinc/74/18/97/573741897.db2.gz MQRVEPRRWWLUBK-SECBINFHSA-N 0 0 185.267 1.774 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@H](CO)C1 197642525 573741905 /nfs/dbraw/zinc/74/19/05/573741905.db2.gz WJDKCWMZLCFFMR-PRJMDXOYSA-N 0 0 128.215 1.661 10 0 ADAERN Nc1cc(C[C@H]2CCSC2)[nH]n1 258420449 573741923 /nfs/dbraw/zinc/74/19/23/573741923.db2.gz DUBCAECZQFIVNB-ZCFIWIBFSA-N 0 0 183.280 1.288 10 0 ADAERN CONCc1ccc2c(c1F)OCO2 258102924 573741933 /nfs/dbraw/zinc/74/19/33/573741933.db2.gz KRNYNOWTLDDXOP-UHFFFAOYSA-N 0 0 199.181 1.205 10 0 ADAERN NOCc1ccc(O)c2c1CCCC2 258115917 573741947 /nfs/dbraw/zinc/74/19/47/573741947.db2.gz QAEMTURZWKWTOH-UHFFFAOYSA-N 0 0 193.246 1.661 10 0 ADAERN C[C@H]1C[C@@H](O)C12CC2 238502401 573742411 /nfs/dbraw/zinc/74/24/11/573742411.db2.gz GTJOENUZFRUSID-NTSWFWBYSA-N 0 0 112.172 1.167 10 0 ADAERN COCCCc1ncc(C[C@@H](C)O)o1 258115521 573741962 /nfs/dbraw/zinc/74/19/62/573741962.db2.gz OJEGLKYJRWEBBV-MRVPVSSYSA-N 0 0 199.250 1.177 10 0 ADAERN C[N@@H+]1CCC[C@@H](C/C=C\CC(=O)[O-])C1 258102555 573741986 /nfs/dbraw/zinc/74/19/86/573741986.db2.gz HEBOLUMYBMPIGC-MXQLGCADSA-N 0 0 197.278 1.749 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1F)CCO2 258103628 573741997 /nfs/dbraw/zinc/74/19/97/573741997.db2.gz OYSGWDCOPGWZJF-SSDOTTSWSA-N 0 0 196.221 1.684 10 0 ADAERN CCN1c2c(N)cccc2NC[C@H]1C 258420476 573742000 /nfs/dbraw/zinc/74/20/00/573742000.db2.gz DUIOYWQCHAMSQJ-MRVPVSSYSA-N 0 0 191.278 1.909 10 0 ADAERN CC(C)Nc1cccc2c1CNC2=O 306312620 573742007 /nfs/dbraw/zinc/74/20/07/573742007.db2.gz NRJURXNMLKDUPG-UHFFFAOYSA-N 0 0 190.246 1.750 10 0 ADAERN CCc1ccsc1-c1nc(N)n[nH]1 87016945 573742037 /nfs/dbraw/zinc/74/20/37/573742037.db2.gz XRZXFGLQIQKIJB-UHFFFAOYSA-N 0 0 194.263 1.678 10 0 ADAERN C/C=C\CN[C@@](C)(CC)C(=O)OC 308430837 573742038 /nfs/dbraw/zinc/74/20/38/573742038.db2.gz ZOBNMBLMGRRWJW-BXKUYDPTSA-N 0 0 185.267 1.494 10 0 ADAERN COC(=O)C[C@@H](C)Cc1nccn1C 259619308 573742047 /nfs/dbraw/zinc/74/20/47/573742047.db2.gz HTCVZCAIXGUEDW-QMMMGPOBSA-N 0 0 196.250 1.162 10 0 ADAERN C[C@@H](O)c1cc(-c2cccnc2)no1 143285680 573742069 /nfs/dbraw/zinc/74/20/69/573742069.db2.gz SFTRXEQAMAQEBO-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN Cc1ccc([C@@H](O)c2nc[nH]n2)s1 84007806 573742072 /nfs/dbraw/zinc/74/20/72/573742072.db2.gz ONZQJEQADNKOJO-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN C[C@@H](C[N@@H+]1CC(C)(C)C1(C)C)C(=O)[O-] 690229125 573742078 /nfs/dbraw/zinc/74/20/78/573742078.db2.gz TWTGDWYKHUMLJZ-QMMMGPOBSA-N 0 0 199.294 1.828 10 0 ADAERN C/C=C/[C@H]1CC[C@@H](O)O1 238061744 573742419 /nfs/dbraw/zinc/74/24/19/573742419.db2.gz VMWPYJFGYKDOQR-VHJVCUAWSA-N 0 0 128.171 1.060 10 0 ADAERN Cc1nc2ccc(O)c(N)c2o1 238502317 573742421 /nfs/dbraw/zinc/74/24/21/573742421.db2.gz PGLWGTQWSUHXPH-UHFFFAOYSA-N 0 0 164.164 1.424 10 0 ADAERN C[NH2+]Cc1ccc(OC)c(C(=O)[O-])c1 257858571 573742111 /nfs/dbraw/zinc/74/21/11/573742111.db2.gz QMLPBKJXHFJAHQ-UHFFFAOYSA-N 0 0 195.218 1.113 10 0 ADAERN OC[C@@H](F)c1cc(F)ccc1F 108291196 573742112 /nfs/dbraw/zinc/74/21/12/573742112.db2.gz XPIDQGDHPIMPAX-MRVPVSSYSA-N 0 0 176.137 1.968 10 0 ADAERN CCc1cc(N)nn1-c1nccs1 124990676 573742140 /nfs/dbraw/zinc/74/21/40/573742140.db2.gz OLRRGUNOTANUNI-UHFFFAOYSA-N 0 0 194.263 1.473 10 0 ADAERN OC[C@H](F)c1cccc2c1OCO2 108296482 573742141 /nfs/dbraw/zinc/74/21/41/573742141.db2.gz LWBTZBQQVYYAQU-ZETCQYMHSA-N 0 0 184.166 1.418 10 0 ADAERN C[C@H]1OCc2cc(O)ccc21 238500195 573742147 /nfs/dbraw/zinc/74/21/47/573742147.db2.gz GIAZKAGEEYBVBX-ZCFIWIBFSA-N 0 0 150.177 1.983 10 0 ADAERN CC[C@H](C)c1ccc([C@H](N)NN)cc1 259619770 573742153 /nfs/dbraw/zinc/74/21/53/573742153.db2.gz XVTVKWROFWYEQF-GZMMTYOYSA-N 0 0 193.294 1.621 10 0 ADAERN OC[C@@H](F)c1ccc2c(c1)OCO2 108296486 573742162 /nfs/dbraw/zinc/74/21/62/573742162.db2.gz USKUNBLTAXECMN-SSDOTTSWSA-N 0 0 184.166 1.418 10 0 ADAERN C[S@@](=O)c1cccc2c1NCC2 238502259 573742164 /nfs/dbraw/zinc/74/21/64/573742164.db2.gz MCJGJNCOHMAPPO-GFCCVEGCSA-N 0 0 181.260 1.392 10 0 ADAERN CC1=C[C@@H](C)O[C@@H](CO)C1 238502248 573742174 /nfs/dbraw/zinc/74/21/74/573742174.db2.gz UMRQMLZTQVTHDA-HTQZYQBOSA-N 0 0 142.198 1.102 10 0 ADAERN C[C@H](O)c1coc([C@H]2CCOC2)n1 258115432 573742175 /nfs/dbraw/zinc/74/21/75/573742175.db2.gz OHNGEEVKZOHIEL-BQBZGAKWSA-N 0 0 183.207 1.232 10 0 ADAERN C[C@@]1(c2ccccc2)C[C@@H](O)OC1=O 238502267 573742177 /nfs/dbraw/zinc/74/21/77/573742177.db2.gz ZXOOMNQSHVLREW-ONGXEEELSA-N 0 0 192.214 1.210 10 0 ADAERN C[S@@](=O)c1ccnc2cc[nH]c12 238500346 573742203 /nfs/dbraw/zinc/74/22/03/573742203.db2.gz JUPJKJDCGYDLPJ-GFCCVEGCSA-N 0 0 180.232 1.300 10 0 ADAERN C[C@H](O)[C@H](C)C[C@@H]1CCCO1 108294118 573742204 /nfs/dbraw/zinc/74/22/04/573742204.db2.gz SAWPACQZHBQODT-VGMNWLOBSA-N 0 0 158.241 1.572 10 0 ADAERN OCC[C@H]1COc2ccccc2N1 108292255 573742211 /nfs/dbraw/zinc/74/22/11/573742211.db2.gz DGCLKSCGYCRRTD-QMMMGPOBSA-N 0 0 179.219 1.242 10 0 ADAERN CC(=O)N[C@]1(C)CCC[C@@H]1C(C)=O 238061713 573742436 /nfs/dbraw/zinc/74/24/36/573742436.db2.gz RTFNBGMSMIGLSJ-NXEZZACHSA-N 0 0 183.251 1.270 10 0 ADAERN CCN1CCc2cccc(CCO)c21 258102048 573742231 /nfs/dbraw/zinc/74/22/31/573742231.db2.gz KRHSGZKHDIZADB-UHFFFAOYSA-N 0 0 191.274 1.604 10 0 ADAERN COc1c(O)ccc(C)c1CON 258103590 573742238 /nfs/dbraw/zinc/74/22/38/573742238.db2.gz OXYVDPPVUYSSQO-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN COc1ccc(NC[C@@H](C)O)c(N)c1 125000107 573742243 /nfs/dbraw/zinc/74/22/43/573742243.db2.gz OAXWUIRXGJPMTG-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN NOCc1cccc2sc(=O)oc12 258103604 573742245 /nfs/dbraw/zinc/74/22/45/573742245.db2.gz OYEYOBLJKZRQSZ-UHFFFAOYSA-N 0 0 197.215 1.245 10 0 ADAERN C[NH2+][C@](C)(Cc1ccsc1)C(=O)[O-] 689891215 573742246 /nfs/dbraw/zinc/74/22/46/573742246.db2.gz LAABTMVNCCVFIR-SECBINFHSA-N 0 0 199.275 1.353 10 0 ADAERN OC[C@H](F)c1cc(F)ccc1F 108291200 573742258 /nfs/dbraw/zinc/74/22/58/573742258.db2.gz XPIDQGDHPIMPAX-QMMMGPOBSA-N 0 0 176.137 1.968 10 0 ADAERN O=c1[nH]c2cc(O)ccc2n1C1CC1 75946269 573742264 /nfs/dbraw/zinc/74/22/64/573742264.db2.gz BKHUSOVVDZDGCB-UHFFFAOYSA-N 0 0 190.202 1.370 10 0 ADAERN C[S@@](=O)c1cnc2[nH]ccc2c1 238502518 573742269 /nfs/dbraw/zinc/74/22/69/573742269.db2.gz IRLPXNXSSSHJGZ-GFCCVEGCSA-N 0 0 180.232 1.300 10 0 ADAERN C[C@@]1(CCCO)CCC[C@H]1O 238490017 573742428 /nfs/dbraw/zinc/74/24/28/573742428.db2.gz SIOSQWRANFCVIW-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN CC(=O)c1[nH]nc2c1[C@H](F)CC2 258419889 573742290 /nfs/dbraw/zinc/74/22/90/573742290.db2.gz BVCUMCUWYGGHJE-RXMQYKEDSA-N 0 0 168.171 1.569 10 0 ADAERN CC(=O)c1cc(O)cc2c1OCO2 258102117 573742296 /nfs/dbraw/zinc/74/22/96/573742296.db2.gz YANPRMAUEABCMR-UHFFFAOYSA-N 0 0 180.159 1.324 10 0 ADAERN COCc1cc(C[C@@H](C)O)ccc1F 258103677 573742310 /nfs/dbraw/zinc/74/23/10/573742310.db2.gz OZRGZMJRHAHDGK-MRVPVSSYSA-N 0 0 198.237 1.895 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]C[C@H](C)C1CC1 308430760 573742320 /nfs/dbraw/zinc/74/23/20/573742320.db2.gz DSHQUQURPSHRMD-RDOCRHDPSA-N 0 0 197.278 1.653 10 0 ADAERN CC[C@H](NN)c1cc(OC)cs1 126915498 573742325 /nfs/dbraw/zinc/74/23/25/573742325.db2.gz IMNRXMHIIDCCAM-ZETCQYMHSA-N 0 0 186.280 1.671 10 0 ADAERN C[C@@]1(c2ccc(N)cc2)CCOCO1 238500281 573742329 /nfs/dbraw/zinc/74/23/29/573742329.db2.gz WVMVNQYDIAXVSO-NSHDSACASA-N 0 0 193.246 1.878 10 0 ADAERN C[C@@H](O)c1coc([C@@H]2CCOC2)n1 258115434 573742335 /nfs/dbraw/zinc/74/23/35/573742335.db2.gz OHNGEEVKZOHIEL-RNFRBKRXSA-N 0 0 183.207 1.232 10 0 ADAERN O[C@H](c1nccs1)[C@@H]1CCCOC1 224989803 573742339 /nfs/dbraw/zinc/74/23/39/573742339.db2.gz SRXNYPRXIDLWFT-SFYZADRCSA-N 0 0 199.275 1.603 10 0 ADAERN C[C@@H]1Oc2cc(F)ccc2[C@H]1O 87016364 573742340 /nfs/dbraw/zinc/74/23/40/573742340.db2.gz ABZIFNIEKHVKBG-CDUCUWFYSA-N 0 0 168.167 1.640 10 0 ADAERN O=C(/C=C\C1CC1)OCCCCO 308427091 573742347 /nfs/dbraw/zinc/74/23/47/573742347.db2.gz XPNVSDVYCXNEBO-WAYWQWQTSA-N 0 0 184.235 1.268 10 0 ADAERN Cc1ccc2c(c1)O[C@@H](C)[C@@H]2O 87016386 573742374 /nfs/dbraw/zinc/74/23/74/573742374.db2.gz XLHAVLYJVZOCEE-XVKPBYJWSA-N 0 0 164.204 1.809 10 0 ADAERN NC(=O)C[C@@H]1CCC[C@H]1F 258420001 573742381 /nfs/dbraw/zinc/74/23/81/573742381.db2.gz BWKRIGOTJPGNQS-NTSWFWBYSA-N 0 0 145.177 1.000 10 0 ADAERN O[C@@H](c1ccc(F)nc1)c1ccoc1 686124499 573743928 /nfs/dbraw/zinc/74/39/28/573743928.db2.gz YEDOVTVWIBBFPE-JTQLQIEISA-N 0 0 193.177 1.895 10 0 ADAERN CC(=O)[C@H]1CCC[C@@]12CCCC(=O)N2 238075894 573744274 /nfs/dbraw/zinc/74/42/74/573744274.db2.gz ZSUZTFLAQMKHRD-MWLCHTKSSA-N 0 0 195.262 1.414 10 0 ADAERN C[C@@]1(CCO)CCC[C@@]1(C)O 238501085 573744275 /nfs/dbraw/zinc/74/42/75/573744275.db2.gz VVSLWCVIRQXKAH-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1cc(F)c(CCON)cc1O 258103609 573743238 /nfs/dbraw/zinc/74/32/38/573743238.db2.gz OYHJDHVVZGZIPX-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN C[C@@]1(c2ccccc2)CC(=N)NC1=O 238501146 573743240 /nfs/dbraw/zinc/74/32/40/573743240.db2.gz XNFWITFFURXMNZ-NSHDSACASA-N 0 0 188.230 1.441 10 0 ADAERN COc1nncc(C(C)C)c1N 257861198 573744296 /nfs/dbraw/zinc/74/42/96/573744296.db2.gz BMXMZASYNNRNGH-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN CC(C)(C)C[C@@H]1CC[NH2+][C@H]1C(=O)[O-] 238076148 573743680 /nfs/dbraw/zinc/74/36/80/573743680.db2.gz VAFYEERAXDEFTA-JGVFFNPUSA-N 0 0 185.267 1.485 10 0 ADAERN C/C=C/C(=O)Nc1cnn(CC)c1 87031623 573743182 /nfs/dbraw/zinc/74/31/82/573743182.db2.gz AKGFATWDDUFGOI-HWKANZROSA-N 0 0 179.223 1.418 10 0 ADAERN O[C@@H]1COC[C@H]1Cc1cccc(F)c1 687965942 573743207 /nfs/dbraw/zinc/74/32/07/573743207.db2.gz VRQLANBMHVOYEW-MWLCHTKSSA-N 0 0 196.221 1.376 10 0 ADAERN C[C@@]1(c2ccccc2)CCO[C@@H]1O 238501719 573743213 /nfs/dbraw/zinc/74/32/13/573743213.db2.gz PYULBEZBAFXHLI-QWRGUYRKSA-N 0 0 178.231 1.683 10 0 ADAERN C[C@@H](O)c1coc([C@H]2CCOC2)n1 258115435 573743233 /nfs/dbraw/zinc/74/32/33/573743233.db2.gz OHNGEEVKZOHIEL-RQJHMYQMSA-N 0 0 183.207 1.232 10 0 ADAERN CCOC(=O)[C@@H](C)NC1CC=CC1 131039196 573743686 /nfs/dbraw/zinc/74/36/86/573743686.db2.gz WKQRPBIWQWHJPF-MRVPVSSYSA-N 0 0 183.251 1.246 10 0 ADAERN C/C=C/[C@H]1CCC[C@H](CO)O1 238061585 573743251 /nfs/dbraw/zinc/74/32/51/573743251.db2.gz QLPVKGKKQJTYHX-NGWLPCGSSA-N 0 0 156.225 1.493 10 0 ADAERN Cc1ccc2c(c1F)OCO2 238501010 573743252 /nfs/dbraw/zinc/74/32/52/573743252.db2.gz ZXBXJLKXVVJBMY-UHFFFAOYSA-N 0 0 154.140 1.863 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCN2C)[nH]n1 259174567 573743265 /nfs/dbraw/zinc/74/32/65/573743265.db2.gz JFEVYPZULPYGQM-JTQLQIEISA-N 0 0 193.250 1.379 10 0 ADAERN CCc1ccccc1[C@H]1COC[C@H]1O 687965939 573743689 /nfs/dbraw/zinc/74/36/89/573743689.db2.gz VRGVPCOKLAWJKO-VXGBXAGGSA-N 0 0 192.258 1.724 10 0 ADAERN CC(=O)c1cncc2c1C(=O)CC2 238076360 573743690 /nfs/dbraw/zinc/74/36/90/573743690.db2.gz VQJOGTNHSYOOAN-UHFFFAOYSA-N 0 0 175.187 1.413 10 0 ADAERN Cc1cc(C)c2c(c1)C(=O)C(=O)O2 238500989 573743287 /nfs/dbraw/zinc/74/32/87/573743287.db2.gz UGAZSISCZGCMMV-UHFFFAOYSA-N 0 0 176.171 1.405 10 0 ADAERN O[C@H]1COC[C@@H]1Cc1cccc(F)c1 687965943 573743290 /nfs/dbraw/zinc/74/32/90/573743290.db2.gz VRQLANBMHVOYEW-ONGXEEELSA-N 0 0 196.221 1.376 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@H]1C(N)=O 144860544 573743299 /nfs/dbraw/zinc/74/32/99/573743299.db2.gz ANJKOOKVQNZPTQ-GJMOJQLCSA-N 0 0 155.241 1.544 10 0 ADAERN C[C@@H](O)c1ccc(CCON)cc1 258103745 573743318 /nfs/dbraw/zinc/74/33/18/573743318.db2.gz YBIAMPNPBNSGKM-MRVPVSSYSA-N 0 0 181.235 1.173 10 0 ADAERN CC(=O)[C@H]1CNc2ccc(O)cc21 258102417 573743691 /nfs/dbraw/zinc/74/36/91/573743691.db2.gz OBNQDCRJIXJANG-SECBINFHSA-N 0 0 177.203 1.490 10 0 ADAERN O[C@H]1COC[C@H]1Cc1cccc(F)c1 687965941 573743345 /nfs/dbraw/zinc/74/33/45/573743345.db2.gz VRQLANBMHVOYEW-KOLCDFICSA-N 0 0 196.221 1.376 10 0 ADAERN COc1ccccc1C[C@@H](F)C(N)=O 258103636 573743374 /nfs/dbraw/zinc/74/33/74/573743374.db2.gz OCNOXPCYQOBJRT-MRVPVSSYSA-N 0 0 197.209 1.061 10 0 ADAERN Cc1ccsc1[C@H](N)c1nc[nH]n1 87022092 573743382 /nfs/dbraw/zinc/74/33/82/573743382.db2.gz QPZNPYBVRAJRGA-LURJTMIESA-N 0 0 194.263 1.223 10 0 ADAERN C[C@H]1Nc2ccccc2OC[C@@H]1O 238501059 573743383 /nfs/dbraw/zinc/74/33/83/573743383.db2.gz XQUPEUZDEVJGDY-APPZFPTMSA-N 0 0 179.219 1.240 10 0 ADAERN C[C@@]1(O)CCCC[C@H]1CCO 238500573 573743396 /nfs/dbraw/zinc/74/33/96/573743396.db2.gz ZTDVQDZFLDKDSG-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN Nc1cnoc1[C@H]1CCCS1 258420295 573743415 /nfs/dbraw/zinc/74/34/15/573743415.db2.gz BYJCNGMKTDRYFA-ZCFIWIBFSA-N 0 0 170.237 1.825 10 0 ADAERN C[C@H]1Nc2ncnc(Cl)c2N1 238501829 573743426 /nfs/dbraw/zinc/74/34/26/573743426.db2.gz ITWBYBJOEIJICN-GSVOUGTGSA-N 0 0 170.603 1.313 10 0 ADAERN CC(C)(C)c1nnc2n1CCC(=O)C2 108303107 573743427 /nfs/dbraw/zinc/74/34/27/573743427.db2.gz GXXHIULXYRQJHN-UHFFFAOYSA-N 0 0 193.250 1.091 10 0 ADAERN COc1ccc([C@H](F)CO)cc1F 108299859 573743453 /nfs/dbraw/zinc/74/34/53/573743453.db2.gz NRUOTDPXPJCGND-MRVPVSSYSA-N 0 0 188.173 1.837 10 0 ADAERN O[C@@H]1COC[C@@H]1Cc1ccccc1F 687966052 573743464 /nfs/dbraw/zinc/74/34/64/573743464.db2.gz XNHOBVSKDDPWSL-GXSJLCMTSA-N 0 0 196.221 1.376 10 0 ADAERN C[C@@H](CO)c1ccc(F)c(CO)c1 258103562 573743468 /nfs/dbraw/zinc/74/34/68/573743468.db2.gz OXEHNPGHTXWGEF-ZETCQYMHSA-N 0 0 184.210 1.414 10 0 ADAERN CC(=O)Nc1cc(N)cc(C)c1O 238076686 573743478 /nfs/dbraw/zinc/74/34/78/573743478.db2.gz BUKXDDJGUREKJH-UHFFFAOYSA-N 0 0 180.207 1.241 10 0 ADAERN C[C@]12CC(=O)[C@](C)(CC1=O)C2 238500540 573743483 /nfs/dbraw/zinc/74/34/83/573743483.db2.gz CLFAZYCJKXSKOB-RKDXNWHRSA-N 0 0 152.193 1.335 10 0 ADAERN NC1(C(=O)c2ccccc2O)CCC1 257860919 573743500 /nfs/dbraw/zinc/74/35/00/573743500.db2.gz QXWMVRDGJPEPFR-UHFFFAOYSA-N 0 0 191.230 1.456 10 0 ADAERN C[S@@](=O)c1c[nH]c(=O)c(Cl)c1 238500603 573743506 /nfs/dbraw/zinc/74/35/06/573743506.db2.gz MCQJJPPTNNPRKC-LLVKDONJSA-N 0 0 191.639 1.178 10 0 ADAERN Cc1c([C@H](C)CO)ccc2c1OCO2 258103699 573743508 /nfs/dbraw/zinc/74/35/08/573743508.db2.gz OZYXTOKNYIPVAZ-SSDOTTSWSA-N 0 0 194.230 1.820 10 0 ADAERN Cc1cc(C(F)F)c(C=O)c(N)n1 238500932 573743519 /nfs/dbraw/zinc/74/35/19/573743519.db2.gz NTKZQYJMDFBYSM-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN COc1ccc([C@H](F)CO)c(F)c1 108299849 573743703 /nfs/dbraw/zinc/74/37/03/573743703.db2.gz BTNQILNTPMKIDY-SECBINFHSA-N 0 0 188.173 1.837 10 0 ADAERN C[C@@H]1Oc2cc(F)ccc2[C@@H]1O 87016368 573743528 /nfs/dbraw/zinc/74/35/28/573743528.db2.gz ABZIFNIEKHVKBG-SSDLBLMSSA-N 0 0 168.167 1.640 10 0 ADAERN COc1cc([C@H](F)CO)ccc1F 108299836 573743529 /nfs/dbraw/zinc/74/35/29/573743529.db2.gz DQCBNDRGXJKYCZ-MRVPVSSYSA-N 0 0 188.173 1.837 10 0 ADAERN CN[C@@H]([C@@H]1CCCO1)C(F)(F)F 97989794 573743560 /nfs/dbraw/zinc/74/35/60/573743560.db2.gz LTXUFIINVYTSGJ-WDSKDSINSA-N 0 0 183.173 1.316 10 0 ADAERN Cn1nc(CO)c2c1CCC[C@]2(C)F 257861001 573743567 /nfs/dbraw/zinc/74/35/67/573743567.db2.gz OQWRRGWJMDJHCS-JTQLQIEISA-N 0 0 198.241 1.433 10 0 ADAERN CC(=O)C1CC[C@@H]2O[C@H]2CC1 238075615 573743578 /nfs/dbraw/zinc/74/35/78/573743578.db2.gz MUNGDSVGWWHBCK-IUCAKERBSA-N 0 0 154.209 1.533 10 0 ADAERN CCN1CC(=O)Nc2cccc(O)c21 258420495 573743582 /nfs/dbraw/zinc/74/35/82/573743582.db2.gz DUOFXJYZSDTTOC-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN CCc1ncc(Br)n1C 258513749 573744298 /nfs/dbraw/zinc/74/42/98/573744298.db2.gz LBEHIFXZIBEUQD-UHFFFAOYSA-N 0 0 189.056 1.745 10 0 ADAERN CC(=O)N[C@@]1(C)C=CCCC1 238061556 573743585 /nfs/dbraw/zinc/74/35/85/573743585.db2.gz JUVWDPIVWMDWDM-VIFPVBQESA-N 0 0 153.225 1.621 10 0 ADAERN CC[C@H](C)[C@@H](CN1CCC(=O)C1)OC 381232120 573743588 /nfs/dbraw/zinc/74/35/88/573743588.db2.gz SRDZEALJSMXKMQ-GXSJLCMTSA-N 0 0 199.294 1.322 10 0 ADAERN C[C@@]1(O)CCCC[C@]12CC[C@@H]2C(N)=O 238500713 573743609 /nfs/dbraw/zinc/74/36/09/573743609.db2.gz OHEIJJJPVDPWMZ-FBIMIBRVSA-N 0 0 197.278 1.193 10 0 ADAERN C/C=C(/C)CC[C@H](O)CO 238060410 573743631 /nfs/dbraw/zinc/74/36/31/573743631.db2.gz JDWOJUJAQOCSLX-PFPYCLJUSA-N 0 0 144.214 1.086 10 0 ADAERN CSc1nccc(-c2c[nH]cn2)n1 144872851 573743666 /nfs/dbraw/zinc/74/36/66/573743666.db2.gz VHMZMNXNUXTGGA-UHFFFAOYSA-N 0 0 192.247 1.589 10 0 ADAERN C/C=C/[C@H]1CC=CC(=O)N1 238061138 573743706 /nfs/dbraw/zinc/74/37/06/573743706.db2.gz VRRONJNCDHTWNI-XBBYQOBLSA-N 0 0 137.182 1.007 10 0 ADAERN Cc1cc([C@H]2COC[C@H]2O)cnc1C 687965932 573743707 /nfs/dbraw/zinc/74/37/07/573743707.db2.gz VMWXMIVYQGERHU-GHMZBOCLSA-N 0 0 193.246 1.173 10 0 ADAERN Cc1cc(C(F)F)c(C=O)[nH]c1=O 238501233 573743708 /nfs/dbraw/zinc/74/37/08/573743708.db2.gz IRWGRXIUYACRDY-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN O=C1N2CCC[C@H]2c2cccn21 223485919 573743720 /nfs/dbraw/zinc/74/37/20/573743720.db2.gz WFUBXCGMQRZLMK-QMMMGPOBSA-N 0 0 162.192 1.607 10 0 ADAERN CC(=O)N1C(=S)N[C@@H]2CCCC[C@H]21 238061819 573743757 /nfs/dbraw/zinc/74/37/57/573743757.db2.gz SLXQPFLWFLOTHW-HTQZYQBOSA-N 0 0 198.291 1.034 10 0 ADAERN Cc1ccc(F)c([C@H]2COC[C@H]2O)c1 687965995 573743779 /nfs/dbraw/zinc/74/37/79/573743779.db2.gz WHIIYRIOEZCBFD-MWLCHTKSSA-N 0 0 196.221 1.609 10 0 ADAERN CCC[C@]1(C)NC(=O)[C@H]([C@@H](C)CC)N1 308697473 573743819 /nfs/dbraw/zinc/74/38/19/573743819.db2.gz TWYNZGPGILWMMB-QXEWZRGKSA-N 0 0 198.310 1.637 10 0 ADAERN C[C@H]1Nc2ccccc2N(C=O)[C@@H]1C 238500850 573743821 /nfs/dbraw/zinc/74/38/21/573743821.db2.gz QBFOBFBUYYMDFT-RKDXNWHRSA-N 0 0 190.246 1.852 10 0 ADAERN CC(C)(C)C[C@@H]1CC[NH2+][C@@H]1C(=O)[O-] 238076116 573743839 /nfs/dbraw/zinc/74/38/39/573743839.db2.gz VAFYEERAXDEFTA-YUMQZZPRSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@@]1(c2ccccc2)CC(=O)O[C@@H]1O 238501268 573743840 /nfs/dbraw/zinc/74/38/40/573743840.db2.gz QJBWRFWLOQGOAW-QWRGUYRKSA-N 0 0 192.214 1.210 10 0 ADAERN OCCc1ccc(F)c2c1OCO2 258103726 573743842 /nfs/dbraw/zinc/74/38/42/573743842.db2.gz PAHABABQOGIGRA-UHFFFAOYSA-N 0 0 184.166 1.089 10 0 ADAERN COC[C@@](C)(O)c1ccc(C)s1 84006886 573743844 /nfs/dbraw/zinc/74/38/44/573743844.db2.gz INUXJIYPRMDNHG-SECBINFHSA-N 0 0 186.276 1.910 10 0 ADAERN Cc1cccc(N(C)C(=O)CCO)c1 258902120 573743894 /nfs/dbraw/zinc/74/38/94/573743894.db2.gz SAHXVACHJXDDFK-UHFFFAOYSA-N 0 0 193.246 1.340 10 0 ADAERN Cc1cc(N)cc(=O)n1C(F)(F)F 257860948 573743909 /nfs/dbraw/zinc/74/39/09/573743909.db2.gz QZEXXZOOCXRDQS-UHFFFAOYSA-N 0 0 192.140 1.215 10 0 ADAERN CC(=O)N[C@@H]1C[C@H](C)SC[C@@H]1C 238501978 573743919 /nfs/dbraw/zinc/74/39/19/573743919.db2.gz KOONNPKTAJWRJB-ACLDMZEESA-N 0 0 187.308 1.653 10 0 ADAERN Cc1nc2ccc(Cl)nc2c(=O)o1 238500891 573744311 /nfs/dbraw/zinc/74/43/11/573744311.db2.gz UOMHHAUNYXBJGV-UHFFFAOYSA-N 0 0 196.593 1.545 10 0 ADAERN CCc1ccsc1CNN 87016942 573743932 /nfs/dbraw/zinc/74/39/32/573743932.db2.gz BCPQQCNYHAFPHT-UHFFFAOYSA-N 0 0 156.254 1.274 10 0 ADAERN COC[C@H]1CNc2cc(O)ccc2C1 257860926 573743934 /nfs/dbraw/zinc/74/39/34/573743934.db2.gz QYCZUUBQTVQZHR-MRVPVSSYSA-N 0 0 193.246 1.623 10 0 ADAERN COC[C@@H]1CCNc2ccc(O)cc21 257860940 573743941 /nfs/dbraw/zinc/74/39/41/573743941.db2.gz QYYZXUDWXGISNA-QMMMGPOBSA-N 0 0 193.246 1.938 10 0 ADAERN O=C1N2CCC[C@@H]2c2cccn21 223485855 573743961 /nfs/dbraw/zinc/74/39/61/573743961.db2.gz WFUBXCGMQRZLMK-MRVPVSSYSA-N 0 0 162.192 1.607 10 0 ADAERN Cc1nc2ccc(N)c(O)c2s1 238501563 573744019 /nfs/dbraw/zinc/74/40/19/573744019.db2.gz QYEHJOMJOZEQOL-UHFFFAOYSA-N 0 0 180.232 1.893 10 0 ADAERN [O-]c1cnn(C[C@H]2CCSC2)c1 257861223 573744041 /nfs/dbraw/zinc/74/40/41/573744041.db2.gz BOKJYWBGDPGKOK-SSDOTTSWSA-N 0 0 184.264 1.342 10 0 ADAERN Cc1nccc(C(=O)CC2CC2)n1 125014491 573744319 /nfs/dbraw/zinc/74/43/19/573744319.db2.gz MZLWYGMNAPTLTM-UHFFFAOYSA-N 0 0 176.219 1.768 10 0 ADAERN C[C@@]1(c2ccccc2)CC(=O)O[C@H]1O 238501281 573744073 /nfs/dbraw/zinc/74/40/73/573744073.db2.gz QJBWRFWLOQGOAW-MNOVXSKESA-N 0 0 192.214 1.210 10 0 ADAERN CC(=O)CCC(=O)N(C)c1cc[nH]c1 258901912 573744093 /nfs/dbraw/zinc/74/40/93/573744093.db2.gz IOVRPBQWIBYRCX-UHFFFAOYSA-N 0 0 194.234 1.347 10 0 ADAERN CC(=O)N1C(=S)N[C@@H]2CCCC[C@@H]21 238062527 573744325 /nfs/dbraw/zinc/74/43/25/573744325.db2.gz SLXQPFLWFLOTHW-SFYZADRCSA-N 0 0 198.291 1.034 10 0 ADAERN Nc1cc(C2CCCC2)n[nH]c1=O 257861251 573744100 /nfs/dbraw/zinc/74/41/00/573744100.db2.gz BPNDJZGBHCKYTI-UHFFFAOYSA-N 0 0 179.223 1.422 10 0 ADAERN [O-]c1cnn(C[C@@H]2CCSC2)c1 257861224 573744130 /nfs/dbraw/zinc/74/41/30/573744130.db2.gz BOKJYWBGDPGKOK-ZETCQYMHSA-N 0 0 184.264 1.342 10 0 ADAERN CC1=Nc2cccnc2N[C@@H]1C 238501783 573744139 /nfs/dbraw/zinc/74/41/39/573744139.db2.gz GDFPBHZJHFJJDR-SSDOTTSWSA-N 0 0 161.208 1.988 10 0 ADAERN CCOc1cc(OCC)[nH]n1 144867300 573744158 /nfs/dbraw/zinc/74/41/58/573744158.db2.gz VCKYZMLNBNVCHL-UHFFFAOYSA-N 0 0 156.185 1.207 10 0 ADAERN Cc1ccc(F)cc1[C@@H]1COC[C@@H]1O 687966048 573744184 /nfs/dbraw/zinc/74/41/84/573744184.db2.gz XLUSQMRKCLYMDJ-QWRGUYRKSA-N 0 0 196.221 1.609 10 0 ADAERN Cc1cc(C)c2ncc(CO)n2c1 238500615 573744190 /nfs/dbraw/zinc/74/41/90/573744190.db2.gz VDHOYPGJAYWALR-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN C/C=C/[C@H](O[C@H](C)O)C(C)C 238060577 573744194 /nfs/dbraw/zinc/74/41/94/573744194.db2.gz HOIGIOONAAFGLS-RKWMXMRGSA-N 0 0 158.241 1.942 10 0 ADAERN CC(C)c1c[nH]nc1C=O 257861108 573744212 /nfs/dbraw/zinc/74/42/12/573744212.db2.gz VNAJBVJOYRMZFS-UHFFFAOYSA-N 0 0 138.170 1.346 10 0 ADAERN Cc1cccc(C(=O)C(N)=S)c1 238500947 573744234 /nfs/dbraw/zinc/74/42/34/573744234.db2.gz LLFHFIAFWRNMFL-UHFFFAOYSA-N 0 0 179.244 1.464 10 0 ADAERN C[C@H]1O[N@H+]2CCC[C@H]1C2 238500436 573745124 /nfs/dbraw/zinc/74/51/24/573745124.db2.gz TYOOASZLBAYOOW-RQJHMYQMSA-N 0 0 127.187 1.032 10 0 ADAERN COc1c(C)cc2c(c1CO)CCO2 258116019 573745145 /nfs/dbraw/zinc/74/51/45/573745145.db2.gz QBXQFULTTXOXEL-UHFFFAOYSA-N 0 0 194.230 1.431 10 0 ADAERN CCC[C@@H](NN)[C@H](C)C(C)C 127028123 573745192 /nfs/dbraw/zinc/74/51/92/573745192.db2.gz SGEUNELPZUFGDS-RKDXNWHRSA-N 0 0 158.289 1.911 10 0 ADAERN Nc1c(F)cccc1C[C@H]1CCOC1 257863153 573745153 /nfs/dbraw/zinc/74/51/53/573745153.db2.gz RMMPQCRRPZLLOX-MRVPVSSYSA-N 0 0 195.237 1.987 10 0 ADAERN CCC[C@@H](NN)c1cccnc1C 127011612 573745046 /nfs/dbraw/zinc/74/50/46/573745046.db2.gz YIAMEAGWYNKSCP-SNVBAGLBSA-N 0 0 179.267 1.695 10 0 ADAERN CP(C)c1cccc(O)c1 144873339 573745051 /nfs/dbraw/zinc/74/50/51/573745051.db2.gz CHYRLTLTLXDQEN-UHFFFAOYSA-N 0 0 154.149 1.759 10 0 ADAERN CC(=O)[C@H]1CCC[C@H]1C[C@@H]1CO1 238076273 573745057 /nfs/dbraw/zinc/74/50/57/573745057.db2.gz JYZORVVVEGPTIZ-IVZWLZJFSA-N 0 0 168.236 1.781 10 0 ADAERN CC(C)OC(=O)N(C)CC1CC1 127042401 573745060 /nfs/dbraw/zinc/74/50/60/573745060.db2.gz SPAFTBSZKIYCSS-UHFFFAOYSA-N 0 0 171.240 1.873 10 0 ADAERN C[C@@]1(c2cccc(O)c2)CC(=O)CN1 258901361 573745061 /nfs/dbraw/zinc/74/50/61/573745061.db2.gz OBQMZOFECCRNGI-NSHDSACASA-N 0 0 191.230 1.170 10 0 ADAERN Cc1c(CO)oc2ccccc2c1=O 238501502 573745076 /nfs/dbraw/zinc/74/50/76/573745076.db2.gz VFDZCEIVBMSFPD-UHFFFAOYSA-N 0 0 190.198 1.594 10 0 ADAERN COC(=O)c1occ2c1CCCC2=O 108303608 573745091 /nfs/dbraw/zinc/74/50/91/573745091.db2.gz SGLCDNURZMLKNH-UHFFFAOYSA-N 0 0 194.186 1.585 10 0 ADAERN Cc1sc2nc(O)cc(=O)n2c1C 238500502 573745094 /nfs/dbraw/zinc/74/50/94/573745094.db2.gz RVDGHAHCODEQSJ-UHFFFAOYSA-N 0 0 196.231 1.078 10 0 ADAERN COc1c(F)cccc1[C@@H](F)CO 108299844 573745114 /nfs/dbraw/zinc/74/51/14/573745114.db2.gz IMONJEUUDKSYKO-QMMMGPOBSA-N 0 0 188.173 1.837 10 0 ADAERN CC(=O)C1C[C@H]2CC(=O)C[C@@H]2C1 238076040 573746832 /nfs/dbraw/zinc/74/68/32/573746832.db2.gz FPRWDANXOYXXBS-IUCAKERBSA-N 0 0 166.220 1.581 10 0 ADAERN C[C@H]1CC[C@H](C)N(C(N)=S)C1 84047687 573746999 /nfs/dbraw/zinc/74/69/99/573746999.db2.gz GQTIBSVVDXAFDP-BQBZGAKWSA-N 0 0 172.297 1.350 10 0 ADAERN Cc1cc(C)c2oc(=O)[nH]c(=O)c2c1 238500965 573746596 /nfs/dbraw/zinc/74/65/96/573746596.db2.gz MGWLISAOBXMAGQ-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN Cc1nc(C(F)F)cc(F)c1CO 238500563 573746623 /nfs/dbraw/zinc/74/66/23/573746623.db2.gz LKYJELPPZPGSPR-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN Cn1c(CO)nc2ccc(F)cc21 76047128 573746645 /nfs/dbraw/zinc/74/66/45/573746645.db2.gz BETFYIWNUOJVTC-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN O[C@@H]1CCC[C@H]1n1nccc1Cl 108299255 573746656 /nfs/dbraw/zinc/74/66/56/573746656.db2.gz HAOQNSJSSJMSRU-RNFRBKRXSA-N 0 0 186.642 1.622 10 0 ADAERN CCCNc1snnc1COC 50830453 573746659 /nfs/dbraw/zinc/74/66/59/573746659.db2.gz QAFZZHUPSRWKOU-UHFFFAOYSA-N 0 0 187.268 1.506 10 0 ADAERN C[C@@]1([C@H]2CCCSC2)CNC(=O)C1 257862558 573746680 /nfs/dbraw/zinc/74/66/80/573746680.db2.gz OXLJBNOXTTVVAA-WPRPVWTQSA-N 0 0 199.319 1.656 10 0 ADAERN Cc1ccc([C@@H]2CNNC(=O)O2)cc1 257873499 573746686 /nfs/dbraw/zinc/74/66/86/573746686.db2.gz UAJWYRSTPPHKBK-VIFPVBQESA-N 0 0 192.218 1.281 10 0 ADAERN C/C=C/[C@H](O)n1nnc2ccccc21 238060442 573746691 /nfs/dbraw/zinc/74/66/91/573746691.db2.gz TVGGZJZOSIXPHM-FWYAXHSGSA-N 0 0 189.218 1.498 10 0 ADAERN Cc1ccc(F)cc1[C@H]1COC[C@@H]1O 687966041 573746709 /nfs/dbraw/zinc/74/67/09/573746709.db2.gz XLUSQMRKCLYMDJ-MNOVXSKESA-N 0 0 196.221 1.609 10 0 ADAERN C/C=C/[C@H](O[C@@H](C)O)C(C)C 238060551 573746722 /nfs/dbraw/zinc/74/67/22/573746722.db2.gz HOIGIOONAAFGLS-MUNZNRDXSA-N 0 0 158.241 1.942 10 0 ADAERN CC(=O)CN(O)C(=O)OC(C)(C)C 257863779 573746726 /nfs/dbraw/zinc/74/67/26/573746726.db2.gz ROFWETPLXXNHOR-UHFFFAOYSA-N 0 0 189.211 1.202 10 0 ADAERN CC1=Nc2ncccc2N[C@@H]1C 238501496 573746744 /nfs/dbraw/zinc/74/67/44/573746744.db2.gz GSWDGCIQPGNVNA-ZCFIWIBFSA-N 0 0 161.208 1.988 10 0 ADAERN C[C@]1([C@@H]2CCCSC2)CNC(=O)C1 257862555 573746747 /nfs/dbraw/zinc/74/67/47/573746747.db2.gz OXLJBNOXTTVVAA-PSASIEDQSA-N 0 0 199.319 1.656 10 0 ADAERN CC[C@@H](CO)Nc1ccnc(OC)c1 127040649 573746751 /nfs/dbraw/zinc/74/67/51/573746751.db2.gz AZUQYVCFDXQOMD-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN COCCCOCc1ccc(N)nc1 50830112 573746756 /nfs/dbraw/zinc/74/67/56/573746756.db2.gz SUWOJLOBZCQDOY-UHFFFAOYSA-N 0 0 196.250 1.217 10 0 ADAERN CC(=O)[C@@H]1O[C@H](C)C1(C)C 238501077 573746765 /nfs/dbraw/zinc/74/67/65/573746765.db2.gz IBWMLRUQBJLDPE-RQJHMYQMSA-N 0 0 142.198 1.389 10 0 ADAERN CCONCCCSC 97989281 573746768 /nfs/dbraw/zinc/74/67/68/573746768.db2.gz SADFPPXQSXQBTJ-UHFFFAOYSA-N 0 0 149.259 1.281 10 0 ADAERN CCC[C@@H](NN)c1coc(C)c1 127018997 573746770 /nfs/dbraw/zinc/74/67/70/573746770.db2.gz GDZQPYHZDVCYQU-SECBINFHSA-N 0 0 168.240 1.893 10 0 ADAERN CC(=O)CC(=O)N1C[C@H](C)CC[C@@H]1C 84049920 573746843 /nfs/dbraw/zinc/74/68/43/573746843.db2.gz AQSPFHWEWODZSJ-BDAKNGLRSA-N 0 0 197.278 1.613 10 0 ADAERN Nc1nnc(-c2cncc(F)c2)s1 84026437 573749717 /nfs/dbraw/zinc/74/97/17/573749717.db2.gz FLOFTSVVGLNCLL-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN O[C@@H]1CCC[C@@H]1n1nccc1Cl 108299258 573746850 /nfs/dbraw/zinc/74/68/50/573746850.db2.gz HAOQNSJSSJMSRU-NKWVEPMBSA-N 0 0 186.642 1.622 10 0 ADAERN CCc1ccccc1[C@@H]1COC[C@@H]1O 687965938 573746857 /nfs/dbraw/zinc/74/68/57/573746857.db2.gz VRGVPCOKLAWJKO-RYUDHWBXSA-N 0 0 192.258 1.724 10 0 ADAERN CC[C@H]1C[C@]1(C)O 79124942 573746973 /nfs/dbraw/zinc/74/69/73/573746973.db2.gz WESGBEWHILMIMJ-WDSKDSINSA-N 0 0 100.161 1.167 10 0 ADAERN CC(C)c1cc([C@@H](F)CO)n(C)n1 108298816 573746969 /nfs/dbraw/zinc/74/69/69/573746969.db2.gz VRSHFACQLFQKHM-ZETCQYMHSA-N 0 0 186.230 1.546 10 0 ADAERN C[C@]1(F)C(=O)CCC[C@@H]1F 238498024 573748909 /nfs/dbraw/zinc/74/89/09/573748909.db2.gz HIYIUZWCPPLWBQ-CAHLUQPWSA-N 0 0 148.152 1.806 10 0 ADAERN Cc1onc(-c2noc(C)c2N)c1N 238497573 573749831 /nfs/dbraw/zinc/74/98/31/573749831.db2.gz CMAQTJCSZZCQJJ-UHFFFAOYSA-N 0 0 194.194 1.111 10 0 ADAERN CC(=O)O[C@@H]1CC[C@@](C)(Cl)[C@@H]1O 238065531 573749832 /nfs/dbraw/zinc/74/98/32/573749832.db2.gz FUIZOFNKHXXBRV-BWZBUEFSSA-N 0 0 192.642 1.070 10 0 ADAERN CC[C@H]1CSC[C@@H]1O 122465110 573749873 /nfs/dbraw/zinc/74/98/73/573749873.db2.gz OQXLDTAMAANFSQ-WDSKDSINSA-N 0 0 132.228 1.120 10 0 ADAERN CC(=O)[C@H]1[C@H](C)CCC[C@@]1(C)O 143345271 573749889 /nfs/dbraw/zinc/74/98/89/573749889.db2.gz ALNRHZFDTYHNLX-SZEHBUNVSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@]1(O)N=CNc2ccccc21 238497379 573749895 /nfs/dbraw/zinc/74/98/95/573749895.db2.gz QABMJQSCUWLUSE-VIFPVBQESA-N 0 0 162.192 1.115 10 0 ADAERN Cc1cccc2c1C[C@H]2O 257863004 573748732 /nfs/dbraw/zinc/74/87/32/573748732.db2.gz WCATUYJDWNEKRH-SECBINFHSA-N 0 0 134.178 1.585 10 0 ADAERN CC(=O)[C@H](O)[C@H]1CC=CCC1 238066148 573748479 /nfs/dbraw/zinc/74/84/79/573748479.db2.gz KZIJRTCRHGPRCK-IUCAKERBSA-N 0 0 154.209 1.293 10 0 ADAERN CC(C)[C@H]1CC[N@H+](C[C@@H](C)C(=O)[O-])C1 108311411 573748488 /nfs/dbraw/zinc/74/84/88/573748488.db2.gz FWRFUSJUDNJZTN-ZJUUUORDSA-N 0 0 199.294 1.685 10 0 ADAERN COC(=O)c1ccn(C(C)C)c1N 257862664 573748507 /nfs/dbraw/zinc/74/85/07/573748507.db2.gz CKQRHZMMFPGYMQ-UHFFFAOYSA-N 0 0 182.223 1.438 10 0 ADAERN Cc1c(F)cnc(CO)c1C(F)F 238496910 573748509 /nfs/dbraw/zinc/74/85/09/573748509.db2.gz YMSDIRSMAOTRFH-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CCN1N[C@@H](c2ccccc2)CC1=O 257863162 573748519 /nfs/dbraw/zinc/74/85/19/573748519.db2.gz RMTILNUFXTUWRC-SNVBAGLBSA-N 0 0 190.246 1.485 10 0 ADAERN COCCCNc1ccnc(OC)c1 127039453 573748523 /nfs/dbraw/zinc/74/85/23/573748523.db2.gz LCSUBMZHZAWUFV-UHFFFAOYSA-N 0 0 196.250 1.539 10 0 ADAERN Nc1ccccc1NC/C=C/CO 717550934 573748541 /nfs/dbraw/zinc/74/85/41/573748541.db2.gz OFZJQOCXDSOCNX-ONEGZZNKSA-N 0 0 178.235 1.229 10 0 ADAERN CC[C@H]1C[C@@]1(C)O 79124940 573748545 /nfs/dbraw/zinc/74/85/45/573748545.db2.gz WESGBEWHILMIMJ-NTSWFWBYSA-N 0 0 100.161 1.167 10 0 ADAERN CC1C[NH+]([C@H]2CC[C@@H](CC(=O)[O-])C2)C1 108308158 573748549 /nfs/dbraw/zinc/74/85/49/573748549.db2.gz HFIRHPDKEIQSQW-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1nc2cc(F)nn2c(N)c1C 238497155 573748550 /nfs/dbraw/zinc/74/85/50/573748550.db2.gz LFLUTUCCHMQZRG-UHFFFAOYSA-N 0 0 180.186 1.067 10 0 ADAERN CCC[C@@H](NN)c1cnc(C)cn1 127019569 573748556 /nfs/dbraw/zinc/74/85/56/573748556.db2.gz DNIJLKIWOIXCPU-MRVPVSSYSA-N 0 0 180.255 1.090 10 0 ADAERN CC(=O)C1=C(O)CSC1(C)C 238067546 573748579 /nfs/dbraw/zinc/74/85/79/573748579.db2.gz XLAOHZGRVUJNBF-ZETCQYMHSA-N 0 0 172.249 1.286 10 0 ADAERN Cn1nnc(N)c1C1CCCCCC1 257863855 573748594 /nfs/dbraw/zinc/74/85/94/573748594.db2.gz RQHFBAGIVMXCJJ-UHFFFAOYSA-N 0 0 194.282 1.835 10 0 ADAERN Nc1nccnc1-c1ccco1 84026718 573748603 /nfs/dbraw/zinc/74/86/03/573748603.db2.gz KYSCSXMSCGSHMB-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN C[C@]12C(=O)CCC=C1CCC2=O 238497679 573748637 /nfs/dbraw/zinc/74/86/37/573748637.db2.gz KFDDFWVCOHOLDS-SNVBAGLBSA-N 0 0 164.204 1.645 10 0 ADAERN COC(=O)[C@@](N)(CC(C)C)C(F)F 257863085 573748644 /nfs/dbraw/zinc/74/86/44/573748644.db2.gz RJLBCUQPOWKHIG-MRVPVSSYSA-N 0 0 195.209 1.168 10 0 ADAERN COC(=O)[C@](N)(CC(C)C)C(F)F 257863086 573748750 /nfs/dbraw/zinc/74/87/50/573748750.db2.gz RJLBCUQPOWKHIG-QMMMGPOBSA-N 0 0 195.209 1.168 10 0 ADAERN CCC(C)(C)OCCNC#N 308701034 573748662 /nfs/dbraw/zinc/74/86/62/573748662.db2.gz YOHQESRCXBUOEH-UHFFFAOYSA-N 0 0 156.229 1.262 10 0 ADAERN CCC[C@@H](NN)c1scnc1C 126994229 573748676 /nfs/dbraw/zinc/74/86/76/573748676.db2.gz FXWNMLKQSASFEW-SSDOTTSWSA-N 0 0 185.296 1.756 10 0 ADAERN Nc1nc(C=O)c2ccc(F)cc2n1 257863089 573748678 /nfs/dbraw/zinc/74/86/78/573748678.db2.gz RJNLLYWYGAXWTP-UHFFFAOYSA-N 0 0 191.165 1.164 10 0 ADAERN C[C@H]1CC[C@@H](C)C[N@H+]1C/C=C/C(=O)[O-] 84049799 573748686 /nfs/dbraw/zinc/74/86/86/573748686.db2.gz CMXURDURHINLIJ-OKWQPMOJSA-N 0 0 197.278 1.748 10 0 ADAERN Cc1ccc(F)c([C@@H](C[NH3+])C(=O)[O-])c1 108307803 573748689 /nfs/dbraw/zinc/74/86/89/573748689.db2.gz OLABXUHUSKSGQD-MRVPVSSYSA-N 0 0 197.209 1.261 10 0 ADAERN CO[C@@]12C=C[C@@H](CC1)C/C2=C/CO 215346276 573748698 /nfs/dbraw/zinc/74/86/98/573748698.db2.gz LVSMUCGVQSHZRQ-XKRAFSPKSA-N 0 0 180.247 1.660 10 0 ADAERN O=C1CC[C@H](c2ccccc2O)CN1 257860587 573748703 /nfs/dbraw/zinc/74/87/03/573748703.db2.gz BXASHEPMYISZOE-QMMMGPOBSA-N 0 0 191.230 1.386 10 0 ADAERN O=C([O-])[C@H]1C2CC(C2)[N@@H+]1C1CCCC1 257863104 573748712 /nfs/dbraw/zinc/74/87/12/573748712.db2.gz RKLBYLGUFZRLCY-YXGXMSFMSA-N 0 0 195.262 1.476 10 0 ADAERN Cc1ccc(OCC[C@@H](O)CO)cc1 308702038 573748725 /nfs/dbraw/zinc/74/87/25/573748725.db2.gz VILRXCAHRZLKKD-SNVBAGLBSA-N 0 0 196.246 1.117 10 0 ADAERN CC(=O)c1ccc(OC2CC2)nc1 238067404 573748773 /nfs/dbraw/zinc/74/87/73/573748773.db2.gz FNKUIYFFZDIEKI-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN C[C@@H](O)[C@H]1CN(C)c2ccc(O)cc21 258115971 573748775 /nfs/dbraw/zinc/74/87/75/573748775.db2.gz OUYLMZLFFRGXBU-GMSGAONNSA-N 0 0 193.246 1.306 10 0 ADAERN CC(=O)O[C@@H]1CC[C@@H](C(C)=O)C1 238064111 573748784 /nfs/dbraw/zinc/74/87/84/573748784.db2.gz MEGBTVULEGPOBS-RKDXNWHRSA-N 0 0 170.208 1.307 10 0 ADAERN CCC[C@H](NN)c1ccncc1OC 127036676 573748792 /nfs/dbraw/zinc/74/87/92/573748792.db2.gz VVIDMVNQPPQWLW-VIFPVBQESA-N 0 0 195.266 1.395 10 0 ADAERN NOCCc1ccc2c(c1)CCS2 258115984 573748795 /nfs/dbraw/zinc/74/87/95/573748795.db2.gz QBIWOSOHJLPEAG-UHFFFAOYSA-N 0 0 195.287 1.768 10 0 ADAERN C=C/C=C/[C@@]1(C)C[C@H]1CO 238497371 573748798 /nfs/dbraw/zinc/74/87/98/573748798.db2.gz KSGMUWNFUPMBBS-HXQNXIEXSA-N 0 0 138.210 1.747 10 0 ADAERN C[C@@H]1N=C(c2ccccc2)N[C@@H](C)N1 238498054 573748806 /nfs/dbraw/zinc/74/88/06/573748806.db2.gz JBXCAFDCBJWIHG-IUCAKERBSA-N 0 0 189.262 1.318 10 0 ADAERN CC(=O)CC(=O)N1C[C@@H](C)CC[C@@H]1C 84049924 573748809 /nfs/dbraw/zinc/74/88/09/573748809.db2.gz AQSPFHWEWODZSJ-IUCAKERBSA-N 0 0 197.278 1.613 10 0 ADAERN CCNc1nccnc1C1CC1 84027806 573748815 /nfs/dbraw/zinc/74/88/15/573748815.db2.gz DMHPHBJIOVYYKB-UHFFFAOYSA-N 0 0 163.224 1.786 10 0 ADAERN O=C(c1ccccn1)C1(CO)CC1 259175379 573748822 /nfs/dbraw/zinc/74/88/22/573748822.db2.gz MTMDKWTYXRPEPN-UHFFFAOYSA-N 0 0 177.203 1.037 10 0 ADAERN CC(=O)NC(=S)C(C)(C)C 238067953 573748825 /nfs/dbraw/zinc/74/88/25/573748825.db2.gz GOFHUDJBFNDBOS-UHFFFAOYSA-N 0 0 159.254 1.496 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)C=CN2 238498135 573749403 /nfs/dbraw/zinc/74/94/03/573749403.db2.gz HJTUSJDXYRODRL-JTQLQIEISA-N 0 0 161.204 1.968 10 0 ADAERN CCc1nc2c(s1)C[C@@H](O)CC2 257863632 573748846 /nfs/dbraw/zinc/74/88/46/573748846.db2.gz CVACUWBMQIKRKM-LURJTMIESA-N 0 0 183.276 1.555 10 0 ADAERN CC(=O)[C@H](O)[C@@H]1CC=CCC1 238066701 573748867 /nfs/dbraw/zinc/74/88/67/573748867.db2.gz KZIJRTCRHGPRCK-BDAKNGLRSA-N 0 0 154.209 1.293 10 0 ADAERN CCC[C@H](NN)[C@@H](C)C(C)C 127027412 573748897 /nfs/dbraw/zinc/74/88/97/573748897.db2.gz SGEUNELPZUFGDS-IUCAKERBSA-N 0 0 158.289 1.911 10 0 ADAERN C[C@]12C=CC=CC=C1OCC2=O 238498192 573749901 /nfs/dbraw/zinc/74/99/01/573749901.db2.gz SVWSYOJBXOCKQO-SNVBAGLBSA-N 0 0 162.188 1.602 10 0 ADAERN CC(=O)[C@H](O)[C@@H]1CC=C(C)CC1 238066662 573748925 /nfs/dbraw/zinc/74/89/25/573748925.db2.gz ADHUZWYOLQODSL-ZJUUUORDSA-N 0 0 168.236 1.683 10 0 ADAERN CC[C@@H]1C[C@@]1(C)O 79124939 573748954 /nfs/dbraw/zinc/74/89/54/573748954.db2.gz WESGBEWHILMIMJ-PHDIDXHHSA-N 0 0 100.161 1.167 10 0 ADAERN CCCC(F)(F)[C@@H](C)O 258422108 573748961 /nfs/dbraw/zinc/74/89/61/573748961.db2.gz CBFZONZDUFDHGA-RXMQYKEDSA-N 0 0 138.157 1.803 10 0 ADAERN CC(=O)[C@H](F)CC1CC1 257873187 573748967 /nfs/dbraw/zinc/74/89/67/573748967.db2.gz YNBIPMTZNIFYSD-SSDOTTSWSA-N 0 0 130.162 1.714 10 0 ADAERN Cc1cc(-c2cc(N)no2)ccc1O 258116088 573748982 /nfs/dbraw/zinc/74/89/82/573748982.db2.gz QCRUWOOIYMSECV-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN Clc1nccnc1-c1cncnc1 84025726 573748985 /nfs/dbraw/zinc/74/89/85/573748985.db2.gz RUNSJHXMQRJFEF-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN C[C@H]1C[N@@H+](C2CCC(O)CC2)CCO1 108311219 573749007 /nfs/dbraw/zinc/74/90/07/573749007.db2.gz AOZBHZFWRHVHCO-WHXUTIOJSA-N 0 0 199.294 1.011 10 0 ADAERN CCC[C@H](NN)c1cccnc1C 127011370 573749016 /nfs/dbraw/zinc/74/90/16/573749016.db2.gz YIAMEAGWYNKSCP-JTQLQIEISA-N 0 0 179.267 1.695 10 0 ADAERN C[C@H](O)[C@@H]1CN(C)c2ccc(O)cc21 258115985 573749021 /nfs/dbraw/zinc/74/90/21/573749021.db2.gz OUYLMZLFFRGXBU-XVKPBYJWSA-N 0 0 193.246 1.306 10 0 ADAERN CC1CCC2(CC1)CNC(=O)[C@@H](C)[NH2+]2 108306538 573749024 /nfs/dbraw/zinc/74/90/24/573749024.db2.gz JQVSBFSMLWKYBF-INWMGODYSA-N 0 0 196.294 1.043 10 0 ADAERN CCC[C@H](NN)[C@H](C)C(C)C 127027886 573749025 /nfs/dbraw/zinc/74/90/25/573749025.db2.gz SGEUNELPZUFGDS-BDAKNGLRSA-N 0 0 158.289 1.911 10 0 ADAERN C[C@]12C=CCC(=O)[C@@H]1CCC2=O 238498247 573749410 /nfs/dbraw/zinc/74/94/10/573749410.db2.gz CUGMPVASLKFLME-XVKPBYJWSA-N 0 0 164.204 1.501 10 0 ADAERN CC(=O)[C@H](O)[C@H]1CC=C(C)CC1 238066072 573749039 /nfs/dbraw/zinc/74/90/39/573749039.db2.gz ADHUZWYOLQODSL-UWVGGRQHSA-N 0 0 168.236 1.683 10 0 ADAERN Clc1ccccc1C1NCCN1 238497876 573749057 /nfs/dbraw/zinc/74/90/57/573749057.db2.gz ZUZYAWDNTDNSNP-UHFFFAOYSA-N 0 0 182.654 1.531 10 0 ADAERN O=C1CCSC[C@@H](C2CCCC2)N1 257872931 573749064 /nfs/dbraw/zinc/74/90/64/573749064.db2.gz QRHBWZJZWIMMRV-VIFPVBQESA-N 0 0 199.319 1.798 10 0 ADAERN C[C@@H]1C=C[C@H](CC(N)=O)C[C@@H]1C 238497367 573749071 /nfs/dbraw/zinc/74/90/71/573749071.db2.gz NTNJFPUTFKWVOB-VGMNWLOBSA-N 0 0 167.252 1.710 10 0 ADAERN CSc1nc(N)nc2c1ccn2C 108303911 573749079 /nfs/dbraw/zinc/74/90/79/573749079.db2.gz AZWYGJWMNFGMOD-UHFFFAOYSA-N 0 0 194.263 1.272 10 0 ADAERN C[C@H]1CC[C@@H](C)C[N@H+]1[C@@H](C)CC(=O)[O-] 84049755 573749911 /nfs/dbraw/zinc/74/99/11/573749911.db2.gz RBMTYKCGLYPVHC-UTLUCORTSA-N 0 0 199.294 1.970 10 0 ADAERN O[C@@H]1CCn2c(C3CCC3)cnc2C1 257863835 573749090 /nfs/dbraw/zinc/74/90/90/573749090.db2.gz RQBUFDKMKOQGCF-SECBINFHSA-N 0 0 192.262 1.458 10 0 ADAERN CC(=O)c1cc2oc(CO)cc2cn1 238065451 573749096 /nfs/dbraw/zinc/74/90/96/573749096.db2.gz BNLNCPQHHHOJHH-UHFFFAOYSA-N 0 0 191.186 1.523 10 0 ADAERN Cc1ccc([C@H]2CNNC(=O)O2)cc1 257873494 573749115 /nfs/dbraw/zinc/74/91/15/573749115.db2.gz UAJWYRSTPPHKBK-SECBINFHSA-N 0 0 192.218 1.281 10 0 ADAERN CC(=O)N[C@]12CCCC[C@H]1CC2 238062730 573749129 /nfs/dbraw/zinc/74/91/29/573749129.db2.gz MQGRUGCKIHTUIB-UWVGGRQHSA-N 0 0 167.252 1.845 10 0 ADAERN C[C@@H]1CN(c2ccccc2O)C(=O)O1 257873450 573749130 /nfs/dbraw/zinc/74/91/30/573749130.db2.gz UAFRLIWMJMZCGC-SSDOTTSWSA-N 0 0 193.202 1.737 10 0 ADAERN COCCCCn1ccc([C@H](C)O)c1 131073190 573749134 /nfs/dbraw/zinc/74/91/34/573749134.db2.gz CZPYIWPAXFWTOM-JTQLQIEISA-N 0 0 197.278 1.968 10 0 ADAERN Cc1nccn1C(=O)[C@H](O)C(C)(C)C 238496918 573749137 /nfs/dbraw/zinc/74/91/37/573749137.db2.gz WNVGNIGWZCTFHO-QMMMGPOBSA-N 0 0 196.250 1.239 10 0 ADAERN C=C(NC(C)=O)c1cccnc1 238064555 573749138 /nfs/dbraw/zinc/74/91/38/573749138.db2.gz UHQXBWGBWUZKCD-UHFFFAOYSA-N 0 0 162.192 1.188 10 0 ADAERN CC1C[NH+]([C@H]2CC[C@H](CC(=O)[O-])C2)C1 108308154 573749144 /nfs/dbraw/zinc/74/91/44/573749144.db2.gz HFIRHPDKEIQSQW-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H]1CC[C@H](C)[N@H+](C/C=C/C(=O)[O-])C1 84049804 573749160 /nfs/dbraw/zinc/74/91/60/573749160.db2.gz CMXURDURHINLIJ-OHINUGQQSA-N 0 0 197.278 1.748 10 0 ADAERN [NH3+]C[C@@H](F)c1cccc2c1OCCO2 108307788 573749171 /nfs/dbraw/zinc/74/91/71/573749171.db2.gz ODZAXKRDKGCEEC-MRVPVSSYSA-N 0 0 197.209 1.427 10 0 ADAERN C[C@@H](F)[C@]([NH3+])(C(=O)[O-])c1ccccc1 257873437 573749177 /nfs/dbraw/zinc/74/91/77/573749177.db2.gz UAERAPUJSFFOEH-GMSGAONNSA-N 0 0 197.209 1.283 10 0 ADAERN O=C1Cc2ccccc2-n2ccnc2N1 257873069 573749208 /nfs/dbraw/zinc/74/92/08/573749208.db2.gz QVAAJQPKQJAQSO-UHFFFAOYSA-N 0 0 199.213 1.367 10 0 ADAERN C[C@]12C=CCC(=O)[C@H]1CCC2=O 238498263 573749793 /nfs/dbraw/zinc/74/97/93/573749793.db2.gz CUGMPVASLKFLME-XCBNKYQSSA-N 0 0 164.204 1.501 10 0 ADAERN CCC[C@H](CCOCC)NN 127034033 573749233 /nfs/dbraw/zinc/74/92/33/573749233.db2.gz GNEAUULZOKPXJH-MRVPVSSYSA-N 0 0 160.261 1.045 10 0 ADAERN CC(C)OC(=O)c1ccoc1N 257862758 573749241 /nfs/dbraw/zinc/74/92/41/573749241.db2.gz CMIIUZUMIQCXMK-UHFFFAOYSA-N 0 0 169.180 1.427 10 0 ADAERN CC(=O)Nc1c(C)cn(C(C)=O)c1C 238067791 573749247 /nfs/dbraw/zinc/74/92/47/573749247.db2.gz WZTLUNDFZRWLNE-UHFFFAOYSA-N 0 0 194.234 1.723 10 0 ADAERN CC(=O)CC(=O)N1C[C@@H](C)CC[C@H]1C 84049930 573749262 /nfs/dbraw/zinc/74/92/62/573749262.db2.gz AQSPFHWEWODZSJ-DTWKUNHWSA-N 0 0 197.278 1.613 10 0 ADAERN OCC1(Cc2ccc[nH]2)CCC1 259176137 573749264 /nfs/dbraw/zinc/74/92/64/573749264.db2.gz QCGPZZIBFCZVBH-UHFFFAOYSA-N 0 0 165.236 1.720 10 0 ADAERN Cc1ccccc1[C@]([NH3+])(CF)C(=O)[O-] 257863799 573749273 /nfs/dbraw/zinc/74/92/73/573749273.db2.gz RPFKJEDMEZGVRJ-SNVBAGLBSA-N 0 0 197.209 1.203 10 0 ADAERN OC[C@@H](F)c1cccc2c1OCCO2 108309195 573749304 /nfs/dbraw/zinc/74/93/04/573749304.db2.gz NMTHRCJUYHBANI-MRVPVSSYSA-N 0 0 198.193 1.461 10 0 ADAERN Clc1nc(C2CC2)nc2c1CCO2 108307532 573749332 /nfs/dbraw/zinc/74/93/32/573749332.db2.gz FDARPOZLFVIAHR-UHFFFAOYSA-N 0 0 196.637 1.942 10 0 ADAERN Cc1cccc(OC2CC2)n1 238498236 573749385 /nfs/dbraw/zinc/74/93/85/573749385.db2.gz IKWKODANGFMBGY-UHFFFAOYSA-N 0 0 149.193 1.931 10 0 ADAERN CC(=O)O[C@@H]1CC[C@](C)(Cl)[C@@H]1O 238066639 573749389 /nfs/dbraw/zinc/74/93/89/573749389.db2.gz FUIZOFNKHXXBRV-PRJMDXOYSA-N 0 0 192.642 1.070 10 0 ADAERN Cc1cccc(=O)c(O)c1C 238498035 573749442 /nfs/dbraw/zinc/74/94/42/573749442.db2.gz UQRZJGBRRYTHSK-UHFFFAOYSA-N 0 0 150.177 1.369 10 0 ADAERN O=C1CCCCCC[C@@H]1CO 143337668 573749448 /nfs/dbraw/zinc/74/94/48/573749448.db2.gz NVNKIMUXFNKBKN-MRVPVSSYSA-N 0 0 156.225 1.518 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)N=CN2 238496952 573749466 /nfs/dbraw/zinc/74/94/66/573749466.db2.gz YNPINFQVXHBUDL-SECBINFHSA-N 0 0 162.192 1.249 10 0 ADAERN CC(C)[C@@]1(CO)CCCC[C@H]1O 143318336 573749809 /nfs/dbraw/zinc/74/98/09/573749809.db2.gz ACROBIRWYHRIQE-ZJUUUORDSA-N 0 0 172.268 1.556 10 0 ADAERN Nc1nccnc1-c1cccs1 84026401 573749467 /nfs/dbraw/zinc/74/94/67/573749467.db2.gz LKHIBCDOMPTCCL-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN CC[C@H]1CSC[C@H]1O 122465509 573749474 /nfs/dbraw/zinc/74/94/74/573749474.db2.gz OQXLDTAMAANFSQ-NTSWFWBYSA-N 0 0 132.228 1.120 10 0 ADAERN C[C@@]1(F)CCCC(=O)[C@H]1F 238497764 573749476 /nfs/dbraw/zinc/74/94/76/573749476.db2.gz QYCCHPDRPXGDAC-RNFRBKRXSA-N 0 0 148.152 1.806 10 0 ADAERN C[C@@]1(F)CCC[C@@H](F)C1=O 238497861 573749493 /nfs/dbraw/zinc/74/94/93/573749493.db2.gz BDELRVLXESPTSR-IYSWYEEDSA-N 0 0 148.152 1.806 10 0 ADAERN CCC[C@H](NN)c1cc(C)nnc1C 127036204 573749498 /nfs/dbraw/zinc/74/94/98/573749498.db2.gz UZHVJOCWZRTMAI-JTQLQIEISA-N 0 0 194.282 1.398 10 0 ADAERN C[S@@](=O)c1c(F)cnc2[nH]ccc12 238498220 573749509 /nfs/dbraw/zinc/74/95/09/573749509.db2.gz BPMVAWKONIDLAH-CYBMUJFWSA-N 0 0 198.222 1.439 10 0 ADAERN NC(=O)Cc1coc2cc(O)ccc12 143311945 573749529 /nfs/dbraw/zinc/74/95/29/573749529.db2.gz JERRTBMOMAYIKN-UHFFFAOYSA-N 0 0 191.186 1.166 10 0 ADAERN CC(=O)O[C@@H]1CC[C@H](C(C)=O)C1 238065617 573749531 /nfs/dbraw/zinc/74/95/31/573749531.db2.gz MEGBTVULEGPOBS-DTWKUNHWSA-N 0 0 170.208 1.307 10 0 ADAERN CC(C)(C)COc1nnc(N)s1 238066438 573749571 /nfs/dbraw/zinc/74/95/71/573749571.db2.gz DGINWNCZWQVBEV-UHFFFAOYSA-N 0 0 187.268 1.545 10 0 ADAERN Cc1cc(C)c2c(c1)C(=O)NC2=S 238496543 573749613 /nfs/dbraw/zinc/74/96/13/573749613.db2.gz LSXMHELZQOFJHO-UHFFFAOYSA-N 0 0 191.255 1.722 10 0 ADAERN COCCCCn1cccc1CO 131072365 573749617 /nfs/dbraw/zinc/74/96/17/573749617.db2.gz MSJYQQMRMKMECX-UHFFFAOYSA-N 0 0 183.251 1.407 10 0 ADAERN CC1C[NH+]([C@@H]2CC[C@H](CC(=O)[O-])C2)C1 108308153 573749635 /nfs/dbraw/zinc/74/96/35/573749635.db2.gz HFIRHPDKEIQSQW-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN CCc1nc(-c2ccc(C[NH3+])o2)n[nH]1 87043630 573749638 /nfs/dbraw/zinc/74/96/38/573749638.db2.gz HFSBIWWDPKLCLQ-UHFFFAOYSA-N 0 0 192.222 1.086 10 0 ADAERN CC(C)[C@]1(CO)CCCC[C@H]1O 143318108 573749676 /nfs/dbraw/zinc/74/96/76/573749676.db2.gz ACROBIRWYHRIQE-NXEZZACHSA-N 0 0 172.268 1.556 10 0 ADAERN CO[C@]1(O)C[C@H]1c1ccccc1 36466371 573749693 /nfs/dbraw/zinc/74/96/93/573749693.db2.gz UUFYKYURZWRSFJ-VHSXEESVSA-N 0 0 164.204 1.509 10 0 ADAERN C[C@@H](O)Cn1ccc2cccnc21 258117316 573749699 /nfs/dbraw/zinc/74/96/99/573749699.db2.gz MGPFZWKESTUORT-MRVPVSSYSA-N 0 0 176.219 1.417 10 0 ADAERN C[C@@H]1CC[C@@H](C(C)(C)O)[C@@H]1O 143310290 573749703 /nfs/dbraw/zinc/74/97/03/573749703.db2.gz TXBHFSJYEXIHQN-BWZBUEFSSA-N 0 0 158.241 1.164 10 0 ADAERN C=C(NC(C)=O)c1cc(C)nc(C)n1 238064057 573749818 /nfs/dbraw/zinc/74/98/18/573749818.db2.gz GWUNBHMYAAYXIU-UHFFFAOYSA-N 0 0 191.234 1.200 10 0 ADAERN CNc1nccnc1C(C)C 84027873 573749771 /nfs/dbraw/zinc/74/97/71/573749771.db2.gz KFPRLJNLSXEJIV-UHFFFAOYSA-N 0 0 151.213 1.642 10 0 ADAERN Cc1ccc(Cl)cc1CNN 125028570 573749775 /nfs/dbraw/zinc/74/97/75/573749775.db2.gz WREIRIVQNVPJAJ-UHFFFAOYSA-N 0 0 170.643 1.612 10 0 ADAERN CCC[C@H](NN)[C@H]1CCO[C@@H]1C 126998119 573749821 /nfs/dbraw/zinc/74/98/21/573749821.db2.gz ZEODOPAADMXJRM-VGMNWLOBSA-N 0 0 172.272 1.043 10 0 ADAERN C/C=C/[C@H]1OC(C)(C)O[C@]1(C)CO 238063939 573751874 /nfs/dbraw/zinc/75/18/74/573751874.db2.gz RCBZXXNEQLDJHU-CGVOYPIJSA-N 0 0 186.251 1.465 10 0 ADAERN Cc1nc2ccc(=O)ccc2o1 238498928 573752698 /nfs/dbraw/zinc/75/26/98/573752698.db2.gz YVEFZKNRLNTQJM-UHFFFAOYSA-N 0 0 161.160 1.496 10 0 ADAERN CC(=O)c1oc2nccc(C)c2c1N 238078166 573753108 /nfs/dbraw/zinc/75/31/08/573753108.db2.gz MEDTVKNRZMFKLV-UHFFFAOYSA-N 0 0 190.202 1.921 10 0 ADAERN Cc1noc(N[C@]2(C)CCO[C@@H]2C)n1 235644982 573753113 /nfs/dbraw/zinc/75/31/13/573753113.db2.gz SHKMDBDPQMUUNN-HZGVNTEJSA-N 0 0 197.238 1.357 10 0 ADAERN C[C@@]1(c2cc(=O)[n-]o2)CCC[NH2+]C1 238499553 573753145 /nfs/dbraw/zinc/75/31/45/573753145.db2.gz KJTQLYCNNMBCBJ-SECBINFHSA-N 0 0 182.223 1.021 10 0 ADAERN CCCOCCCNC(=O)CC 131072308 573751606 /nfs/dbraw/zinc/75/16/06/573751606.db2.gz WQYOUYHSXNUKHK-UHFFFAOYSA-N 0 0 173.256 1.329 10 0 ADAERN CC(C)CCCNc1nnns1 258907960 573751628 /nfs/dbraw/zinc/75/16/28/573751628.db2.gz IAVAPZROZHFYIJ-UHFFFAOYSA-N 0 0 186.284 1.781 10 0 ADAERN CCOC[C@@H](O)c1ccsc1 84063438 573753164 /nfs/dbraw/zinc/75/31/64/573753164.db2.gz IFVCODZRZCKFNV-MRVPVSSYSA-N 0 0 172.249 1.818 10 0 ADAERN Cc1c(C(F)F)cc(CO)nc1F 238497987 573751656 /nfs/dbraw/zinc/75/16/56/573751656.db2.gz ZQLPFCVBAQQOJR-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN COC[C@@H]1CCOc2c(O)cccc21 257864433 573751678 /nfs/dbraw/zinc/75/16/78/573751678.db2.gz RRWPEFFMEVQNTQ-QMMMGPOBSA-N 0 0 194.230 1.905 10 0 ADAERN N#CNc1ccccc(Cl)c1=O 238496836 573751684 /nfs/dbraw/zinc/75/16/84/573751684.db2.gz NYBKWCUOYKPGDD-UHFFFAOYSA-N 0 0 180.594 1.593 10 0 ADAERN CCc1nc(C=O)c2cc(O)ccn12 257873599 573751685 /nfs/dbraw/zinc/75/16/85/573751685.db2.gz UBVTZXYIPYOLLA-UHFFFAOYSA-N 0 0 190.202 1.415 10 0 ADAERN C/C=C/c1c(CO)cnc(C)c1O 238067692 573751693 /nfs/dbraw/zinc/75/16/93/573751693.db2.gz MCWAAJSQGMDEHP-ONEGZZNKSA-N 0 0 179.219 1.621 10 0 ADAERN Cc1onc(-c2csc(N)n2)c1C 238497543 573751715 /nfs/dbraw/zinc/75/17/15/573751715.db2.gz MZRBCYYZYZKWML-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CC(=O)N/C(=C/c1ccccc1)CO 238063432 573751729 /nfs/dbraw/zinc/75/17/29/573751729.db2.gz SWCHHFQVVQRMRR-YRNVUSSQSA-N 0 0 191.230 1.156 10 0 ADAERN COCCCCn1ccc([C@@H](C)O)c1 131073398 573751732 /nfs/dbraw/zinc/75/17/32/573751732.db2.gz CZPYIWPAXFWTOM-SNVBAGLBSA-N 0 0 197.278 1.968 10 0 ADAERN Cc1cc(C)c([S@@](C)=O)c(N)c1 238498149 573751739 /nfs/dbraw/zinc/75/17/39/573751739.db2.gz UJLQJYARYQECMY-GFCCVEGCSA-N 0 0 183.276 1.623 10 0 ADAERN CC[C@H]1COC[C@]1(O)c1cscn1 687952117 573751740 /nfs/dbraw/zinc/75/17/40/573751740.db2.gz AJDGZTKQJGWNTM-IONNQARKSA-N 0 0 199.275 1.387 10 0 ADAERN C=C(NC(C)=O)c1cc(C)ccn1 238064015 573751743 /nfs/dbraw/zinc/75/17/43/573751743.db2.gz SPCSPZTVBHXBET-UHFFFAOYSA-N 0 0 176.219 1.497 10 0 ADAERN C[S@@](=O)[C@]1(C)CCCCC1=O 238498068 573751748 /nfs/dbraw/zinc/75/17/48/573751748.db2.gz LVLQJCQAXMMHPB-LDYMZIIASA-N 0 0 174.265 1.267 10 0 ADAERN CCc1nnc([C@@H]2CSCCN2)o1 257865225 573751755 /nfs/dbraw/zinc/75/17/55/573751755.db2.gz PKUQYOOYQRGVSI-LURJTMIESA-N 0 0 199.279 1.010 10 0 ADAERN COC(=O)C(F)(F)[C@@H]1CCCS1 257873722 573751769 /nfs/dbraw/zinc/75/17/69/573751769.db2.gz UEHHENZXENJOSF-YFKPBYRVSA-N 0 0 196.218 1.690 10 0 ADAERN COC(=O)[C@@H](ON)c1ccccc1C 257865437 573751775 /nfs/dbraw/zinc/75/17/75/573751775.db2.gz RXIIHOOYOBFXMJ-VIFPVBQESA-N 0 0 195.218 1.099 10 0 ADAERN CCOC[C@H](O)c1cccs1 84063317 573751814 /nfs/dbraw/zinc/75/18/14/573751814.db2.gz QRDLVIVPVRTYLK-ZETCQYMHSA-N 0 0 172.249 1.818 10 0 ADAERN CC(C)Oc1nc(N)co1 257865117 573751815 /nfs/dbraw/zinc/75/18/15/573751815.db2.gz GSEINGONGBTLCG-UHFFFAOYSA-N 0 0 142.158 1.044 10 0 ADAERN C[C@@]1(O)CNc2ccccc2SC1 238496524 573751818 /nfs/dbraw/zinc/75/18/18/573751818.db2.gz GSWGOFTZHXLDNT-SNVBAGLBSA-N 0 0 195.287 1.955 10 0 ADAERN CC(=O)Nc1c(C)cc(C)cc1O 238066860 573751848 /nfs/dbraw/zinc/75/18/48/573751848.db2.gz ZITKKXIUAVNNFV-UHFFFAOYSA-N 0 0 179.219 1.967 10 0 ADAERN CCOC[C@H](O)CC1CC1 84063184 573751851 /nfs/dbraw/zinc/75/18/51/573751851.db2.gz WBMVQJZSLUPLSD-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)(C)[C@](C[NH3+])(C(=O)[O-])C(F)F 257864453 573751913 /nfs/dbraw/zinc/75/19/13/573751913.db2.gz RSJYTFFZXNTDRD-QMMMGPOBSA-N 0 0 195.209 1.327 10 0 ADAERN CCOC[C@@H](O)c1ccoc1 84063537 573751945 /nfs/dbraw/zinc/75/19/45/573751945.db2.gz PYFYGMIIZRYKMC-MRVPVSSYSA-N 0 0 156.181 1.350 10 0 ADAERN Nc1cc(Cl)ccc1C(=O)CCO 257864305 573751954 /nfs/dbraw/zinc/75/19/54/573751954.db2.gz PFSSKSMRXNNUDC-UHFFFAOYSA-N 0 0 199.637 1.487 10 0 ADAERN CC(=O)NC(=O)Nc1ccccc1C 238066813 573751973 /nfs/dbraw/zinc/75/19/73/573751973.db2.gz LJAJBDURGZBWAM-UHFFFAOYSA-N 0 0 192.218 1.663 10 0 ADAERN C(=Cc1c[nH]cn1)c1cccnc1 214855530 573751982 /nfs/dbraw/zinc/75/19/82/573751982.db2.gz BBFSLRSCXVQCON-ARJAWSKDSA-N 0 0 171.203 1.975 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@H]1CCOC1 258421945 573751986 /nfs/dbraw/zinc/75/19/86/573751986.db2.gz CAQPRFBDILHQIN-RNJXMRFFSA-N 0 0 162.204 1.132 10 0 ADAERN Cc1cc(O)c(Cl)cc1CCO 258116181 573752010 /nfs/dbraw/zinc/75/20/10/573752010.db2.gz QEKMCACXODVRQZ-UHFFFAOYSA-N 0 0 186.638 1.889 10 0 ADAERN Cc1cc(N)cc(C)c1NC(N)=O 87043298 573752029 /nfs/dbraw/zinc/75/20/29/573752029.db2.gz BNVKGMKXMGTZLQ-UHFFFAOYSA-N 0 0 179.223 1.376 10 0 ADAERN COc1ccc(F)c(CCON)c1C 258116463 573752062 /nfs/dbraw/zinc/75/20/62/573752062.db2.gz LURHOYUXTWSQAG-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN C=Cc1nc(COCC)no1 84062134 573752083 /nfs/dbraw/zinc/75/20/83/573752083.db2.gz MVMCSPNQVDKZES-UHFFFAOYSA-N 0 0 154.169 1.249 10 0 ADAERN Cc1cccc([C@H]2[NH2+]C[C@H]2C(=O)[O-])c1 257865454 573752107 /nfs/dbraw/zinc/75/21/07/573752107.db2.gz RYINCPKNAXYAAQ-NXEZZACHSA-N 0 0 191.230 1.340 10 0 ADAERN C[C@H](O)[C@H](F)C[C@H]1CCOC1 258421948 573752110 /nfs/dbraw/zinc/75/21/10/573752110.db2.gz CAQPRFBDILHQIN-XLPZGREQSA-N 0 0 162.204 1.132 10 0 ADAERN [NH3+]C[C@H](F)c1cccc2c1OCCO2 108307791 573752113 /nfs/dbraw/zinc/75/21/13/573752113.db2.gz ODZAXKRDKGCEEC-QMMMGPOBSA-N 0 0 197.209 1.427 10 0 ADAERN COC/C(C)=C\C[C@H](O)C[C@@H](C)O 393562078 573752114 /nfs/dbraw/zinc/75/21/14/573752114.db2.gz GLBVNBHQSOJXRW-LTAOASPFSA-N 0 0 188.267 1.101 10 0 ADAERN Oc1ccc2c(c1)[C@H]1C[C@H]1N2 257864884 573753208 /nfs/dbraw/zinc/75/32/08/573753208.db2.gz CZBHZMJIALZHPI-VXNVDRBHSA-N 0 0 147.177 1.674 10 0 ADAERN Cc1cccc([C@@H]2[NH2+]C[C@@H]2C(=O)[O-])c1 257865455 573752266 /nfs/dbraw/zinc/75/22/66/573752266.db2.gz RYINCPKNAXYAAQ-UWVGGRQHSA-N 0 0 191.230 1.340 10 0 ADAERN Cc1cccc([C@H]2[NH2+]C[C@@H]2C(=O)[O-])c1 257865456 573752291 /nfs/dbraw/zinc/75/22/91/573752291.db2.gz RYINCPKNAXYAAQ-VHSXEESVSA-N 0 0 191.230 1.340 10 0 ADAERN COCCCCn1ccnc1C=O 131069991 573752307 /nfs/dbraw/zinc/75/23/07/573752307.db2.gz HDHPAUJFQXAADI-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](CO)CN2 238498830 573752317 /nfs/dbraw/zinc/75/23/17/573752317.db2.gz GBSJNBWKKMVMAE-MRVPVSSYSA-N 0 0 178.235 1.193 10 0 ADAERN CN1C=Cc2ccccc2[C@@H]1O 143324796 573752336 /nfs/dbraw/zinc/75/23/36/573752336.db2.gz ILSQXXALVLEOAO-JTQLQIEISA-N 0 0 161.204 1.594 10 0 ADAERN C[C@H](CNC=O)c1ccccc1 79159808 573752340 /nfs/dbraw/zinc/75/23/40/573752340.db2.gz LRAMSTVZXVELLI-SECBINFHSA-N 0 0 163.220 1.536 10 0 ADAERN CCOC[C@@H](O)c1cccs1 84063319 573752356 /nfs/dbraw/zinc/75/23/56/573752356.db2.gz QRDLVIVPVRTYLK-SSDOTTSWSA-N 0 0 172.249 1.818 10 0 ADAERN C[C@]12CC(=O)CC[C@H]1CC(=O)C2 238499446 573752368 /nfs/dbraw/zinc/75/23/68/573752368.db2.gz DJSDIKMYAVWZHK-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN CC[C@]1(CO)CCCC[C@H]1O 143350775 573752372 /nfs/dbraw/zinc/75/23/72/573752372.db2.gz GCSZROHCKLJGFV-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN C[C@@H]1C[NH2+]C[C@H](c2cccs2)N1C 108306681 573752383 /nfs/dbraw/zinc/75/23/83/573752383.db2.gz BASBTLJZCYQJCL-RKDXNWHRSA-N 0 0 196.319 1.713 10 0 ADAERN Oc1ccc2c(c1)[C@@H]1C[C@@H]1N2 257864882 573752394 /nfs/dbraw/zinc/75/23/94/573752394.db2.gz CZBHZMJIALZHPI-CBAPKCEASA-N 0 0 147.177 1.674 10 0 ADAERN C[C@@]1([C@@H](O)c2ccccc2)CO1 238498689 573752411 /nfs/dbraw/zinc/75/24/11/573752411.db2.gz CIEZIFLIZZUOTH-UWVGGRQHSA-N 0 0 164.204 1.509 10 0 ADAERN CC[C@@]1(CO)CCCC[C@@H]1O 143350571 573752416 /nfs/dbraw/zinc/75/24/16/573752416.db2.gz GCSZROHCKLJGFV-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN CC(C)(C)[C@@](C[NH3+])(C(=O)[O-])C(F)F 257864450 573752422 /nfs/dbraw/zinc/75/24/22/573752422.db2.gz RSJYTFFZXNTDRD-MRVPVSSYSA-N 0 0 195.209 1.327 10 0 ADAERN COC/C(C)=C\C[C@H](O)C[C@H](C)O 393562076 573752427 /nfs/dbraw/zinc/75/24/27/573752427.db2.gz GLBVNBHQSOJXRW-BBYBGLFNSA-N 0 0 188.267 1.101 10 0 ADAERN Cc1cc(C(F)F)c(C(N)=O)cn1 238499119 573752433 /nfs/dbraw/zinc/75/24/33/573752433.db2.gz ICYLSGWFTCOXES-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN C[C@]1(c2ccccc2N)COC(=O)N1 257873596 573752443 /nfs/dbraw/zinc/75/24/43/573752443.db2.gz UBVMEBNSPWDPDF-SNVBAGLBSA-N 0 0 192.218 1.224 10 0 ADAERN CCc1c(CON)cc(F)cc1OC 258116383 573752448 /nfs/dbraw/zinc/75/24/48/573752448.db2.gz LTHIXGMGVKQKNA-UHFFFAOYSA-N 0 0 199.225 1.787 10 0 ADAERN C[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)[O-])o1 87043625 573752482 /nfs/dbraw/zinc/75/24/82/573752482.db2.gz PSJLDKJNWXGKQM-SSDOTTSWSA-N 0 0 195.218 1.572 10 0 ADAERN CC(C)(C)[C@@H]1CCC[C@H](CO)[C@@H]1O 143343980 573752484 /nfs/dbraw/zinc/75/24/84/573752484.db2.gz MNWMQATYIVVYEJ-BBBLOLIVSA-N 0 0 186.295 1.802 10 0 ADAERN OC[C@@H](F)c1ccc2c(c1)OCCO2 108309189 573752506 /nfs/dbraw/zinc/75/25/06/573752506.db2.gz BWMXIEKTWOKWBU-MRVPVSSYSA-N 0 0 198.193 1.461 10 0 ADAERN CC(=O)NC(=S)c1[nH]c(C)cc1C 238068639 573752516 /nfs/dbraw/zinc/75/25/16/573752516.db2.gz NWLXWZLQJXDTSL-UHFFFAOYSA-N 0 0 196.275 1.443 10 0 ADAERN Cc1c[nH]c(Oc2cccnc2)n1 257865020 573752519 /nfs/dbraw/zinc/75/25/19/573752519.db2.gz GOMCCLJKLSVUKF-UHFFFAOYSA-N 0 0 175.191 1.905 10 0 ADAERN C[C@H](O)Cc1c[nH]c2cc(O)ccc12 258116824 573752528 /nfs/dbraw/zinc/75/25/28/573752528.db2.gz JJKAROKGWUBRLW-ZETCQYMHSA-N 0 0 191.230 1.797 10 0 ADAERN COCNCc1ccc(F)cc1F 259175678 573752541 /nfs/dbraw/zinc/75/25/41/573752541.db2.gz USRFTBRJYHOSRI-UHFFFAOYSA-N 0 0 187.189 1.658 10 0 ADAERN Cc1nc(C(F)F)cc(CO)c1N 238499592 573752542 /nfs/dbraw/zinc/75/25/42/573752542.db2.gz SEIPMBUYBKPLMQ-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cc1ccc(CNO)c(Cl)c1O 258116247 573752558 /nfs/dbraw/zinc/75/25/58/573752558.db2.gz QFRCINKWNXXVRM-UHFFFAOYSA-N 0 0 187.626 1.833 10 0 ADAERN Cc1c(F)ncc(C[NH3+])c1C(F)F 238498696 573752562 /nfs/dbraw/zinc/75/25/62/573752562.db2.gz NJSJVPXMHGVNEN-UHFFFAOYSA-N 0 0 190.168 1.925 10 0 ADAERN C[S@@](=O)c1cccc2[nH]ccc12 238499442 573752599 /nfs/dbraw/zinc/75/25/99/573752599.db2.gz MUKVECMKRXWPCJ-GFCCVEGCSA-N 0 0 179.244 1.905 10 0 ADAERN C[C@](F)(CO)c1cccc(O)c1 257865547 573752610 /nfs/dbraw/zinc/75/26/10/573752610.db2.gz WTUQGIAMKZCXBK-VIFPVBQESA-N 0 0 170.183 1.569 10 0 ADAERN CCOCc1nc(CO)cs1 84065506 573752638 /nfs/dbraw/zinc/75/26/38/573752638.db2.gz XEBVQLRRHJCKGU-UHFFFAOYSA-N 0 0 173.237 1.172 10 0 ADAERN CC[C@]1(C)[C@@H](O)C[C@@H]1OCC(F)F 131065435 573752653 /nfs/dbraw/zinc/75/26/53/573752653.db2.gz APINDXHLGYZBPW-ACLDMZEESA-N 0 0 194.221 1.818 10 0 ADAERN CC(=O)c1oc2ncc(C)cc2c1N 238078081 573752667 /nfs/dbraw/zinc/75/26/67/573752667.db2.gz AVZPFKJUDMBGRP-UHFFFAOYSA-N 0 0 190.202 1.921 10 0 ADAERN CC(=O)NC12[C@H]3CC(C[C@H]31)C2(C)C 238078904 573752674 /nfs/dbraw/zinc/75/26/74/573752674.db2.gz OZBXPMFRLHIHDD-SNWHPCCYSA-N 0 0 179.263 1.557 10 0 ADAERN O=CNC(Cl)=C(Cl)Cl 238499438 573752715 /nfs/dbraw/zinc/75/27/15/573752715.db2.gz BNLLMBLBHXTIDL-UHFFFAOYSA-N 0 0 174.414 1.575 10 0 ADAERN CC(C)OCc1sncc1N 257873585 573752718 /nfs/dbraw/zinc/75/27/18/573752718.db2.gz FTQWXHLNWVSSFD-UHFFFAOYSA-N 0 0 172.253 1.650 10 0 ADAERN CC[C@@]1(C)[C@@H](OCC(F)F)C[C@H]1O 131064981 573752770 /nfs/dbraw/zinc/75/27/70/573752770.db2.gz APINDXHLGYZBPW-BKPPORCPSA-N 0 0 194.221 1.818 10 0 ADAERN CCC(=O)[C@@H](OC)C1CC1 122468709 573752775 /nfs/dbraw/zinc/75/27/75/573752775.db2.gz RBRDSRICIQBRFD-QMMMGPOBSA-N 0 0 142.198 1.391 10 0 ADAERN C[C@@]1(O)CC=CCCC1=O 238499644 573752776 /nfs/dbraw/zinc/75/27/76/573752776.db2.gz MRHFPTMWYMFLCW-MRVPVSSYSA-N 0 0 140.182 1.047 10 0 ADAERN CC(=O)c1c(C)nn(C2COC2)c1C 257873680 573752781 /nfs/dbraw/zinc/75/27/81/573752781.db2.gz UDHOBBAIMXNORT-UHFFFAOYSA-N 0 0 194.234 1.274 10 0 ADAERN C[C@H]1OC[C@@]2(C)CC(=O)[C@@H]12 238499563 573752782 /nfs/dbraw/zinc/75/27/82/573752782.db2.gz IIEYWNXCWYPOBP-LPBLVHEISA-N 0 0 140.182 1.000 10 0 ADAERN Cc1ccccc1[C@@H]1C[C@@H]1C(N)=O 238491395 573752792 /nfs/dbraw/zinc/75/27/92/573752792.db2.gz PRQZKKMHXSQFRO-UWVGGRQHSA-N 0 0 175.231 1.584 10 0 ADAERN Cc1nc(C(F)F)ccc1C(N)=O 238505010 573753218 /nfs/dbraw/zinc/75/32/18/573753218.db2.gz ZTAMLANIMWEZNM-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN CC(C)c1nc2cnc(N)nc2s1 108303914 573752834 /nfs/dbraw/zinc/75/28/34/573752834.db2.gz VHGFAUCCPMUBPI-UHFFFAOYSA-N 0 0 194.263 1.792 10 0 ADAERN C[S@@](=O)c1cc(F)c([O-])cc1F 238498509 573752841 /nfs/dbraw/zinc/75/28/41/573752841.db2.gz QXKOAOKCUDBGGG-GFCCVEGCSA-N 0 0 192.186 1.408 10 0 ADAERN Cc1cc2c(cc1N)C=CS2(=O)=O 238498877 573752855 /nfs/dbraw/zinc/75/28/55/573752855.db2.gz LKTBJOZVEUVJFS-UHFFFAOYSA-N 0 0 195.243 1.335 10 0 ADAERN C[C@H]1Cc2c(ccc(O)c2CO)O1 143320433 573752863 /nfs/dbraw/zinc/75/28/63/573752863.db2.gz RVWUAXZJPZNHIE-LURJTMIESA-N 0 0 180.203 1.208 10 0 ADAERN C[C@@]1(NC(N)=O)C[C@H]2CC[C@@H]1C2 238499072 573752952 /nfs/dbraw/zinc/75/29/52/573752952.db2.gz CDVNPLKVOWXWON-LKEWCRSYSA-N 0 0 168.240 1.233 10 0 ADAERN CC(=O)NC(=S)Cc1ccccc1 238068209 573752964 /nfs/dbraw/zinc/75/29/64/573752964.db2.gz PEYQJRREKOQVCE-UHFFFAOYSA-N 0 0 193.271 1.693 10 0 ADAERN CCn1cnnc1-c1ccc(C[NH3+])o1 87043653 573752970 /nfs/dbraw/zinc/75/29/70/573752970.db2.gz VBHXTEXBYYNVDO-UHFFFAOYSA-N 0 0 192.222 1.017 10 0 ADAERN C[C@H](O)Cn1ccc2cccnc21 258117319 573752977 /nfs/dbraw/zinc/75/29/77/573752977.db2.gz MGPFZWKESTUORT-QMMMGPOBSA-N 0 0 176.219 1.417 10 0 ADAERN Cc1cc(C)c2c(c1)CC(=O)C2 143438639 573752982 /nfs/dbraw/zinc/75/29/82/573752982.db2.gz ROXVHEAMVQQIEB-UHFFFAOYSA-N 0 0 160.216 1.971 10 0 ADAERN [NH3+]C[C@H](F)c1ccc2c(c1)OCCO2 108307785 573753013 /nfs/dbraw/zinc/75/30/13/573753013.db2.gz OKVYHLJDBBXIQK-QMMMGPOBSA-N 0 0 197.209 1.427 10 0 ADAERN Cc1nccn1C[C@@H]1CCCC1=O 238498738 573753014 /nfs/dbraw/zinc/75/30/14/573753014.db2.gz RGWUBNSMWLPENC-VIFPVBQESA-N 0 0 178.235 1.561 10 0 ADAERN [NH3+]C[C@@H](F)c1ccc2c(c1)OCCO2 108307783 573753025 /nfs/dbraw/zinc/75/30/25/573753025.db2.gz OKVYHLJDBBXIQK-MRVPVSSYSA-N 0 0 197.209 1.427 10 0 ADAERN COC[C@H]1CCOc2c(O)cccc21 257864431 573753046 /nfs/dbraw/zinc/75/30/46/573753046.db2.gz RRWPEFFMEVQNTQ-MRVPVSSYSA-N 0 0 194.230 1.905 10 0 ADAERN Cc1nc(C)c2cc(C)[nH]c2n1 238498780 573753053 /nfs/dbraw/zinc/75/30/53/573753053.db2.gz DOTCQZDPWGLCHZ-UHFFFAOYSA-N 0 0 161.208 1.883 10 0 ADAERN CCOCCNc1ccnc(OC)c1 127048330 573753096 /nfs/dbraw/zinc/75/30/96/573753096.db2.gz BZKFJHYQWKLRAP-UHFFFAOYSA-N 0 0 196.250 1.539 10 0 ADAERN CC(=O)Nc1ccc(=S)n(C)c1 238078394 573753098 /nfs/dbraw/zinc/75/30/98/573753098.db2.gz QMJBIRDLKUWLTM-UHFFFAOYSA-N 0 0 182.248 1.713 10 0 ADAERN C[C@]12C=CC[C@@H]1C[C@@]2(C[NH3+])CC(=O)[O-] 238498449 573753081 /nfs/dbraw/zinc/75/30/81/573753081.db2.gz JTHRYXUDOAOOGN-MIMYLULJSA-N 0 0 195.262 1.392 10 0 ADAERN COc1c(CO)c(C(C)(C)C)nn1C 257864399 573753226 /nfs/dbraw/zinc/75/32/26/573753226.db2.gz CDBQHJOKFYLFSV-UHFFFAOYSA-N 0 0 198.266 1.219 10 0 ADAERN CC(=O)c1ncc(C)c(C)n1 108331239 573757688 /nfs/dbraw/zinc/75/76/88/573757688.db2.gz GZNBIQKYTUGWGY-UHFFFAOYSA-N 0 0 150.181 1.296 10 0 ADAERN C[NH2+]CNc1ccc2nc(C)oc2c1 258916865 573758210 /nfs/dbraw/zinc/75/82/10/573758210.db2.gz PZPYHCWGZSGBAY-UHFFFAOYSA-N 0 0 191.234 1.725 10 0 ADAERN CCOC(=O)[C@@H](CC)NCC(F)F 147661680 573758229 /nfs/dbraw/zinc/75/82/29/573758229.db2.gz VBAIKVAKTQYTQN-ZCFIWIBFSA-N 0 0 195.209 1.183 10 0 ADAERN CC(=O)[C@H]1CC[C@@](C)(C(C)=O)C1 238077612 573758751 /nfs/dbraw/zinc/75/87/51/573758751.db2.gz YKDQNBWHVGFTBQ-VHSXEESVSA-N 0 0 168.236 1.971 10 0 ADAERN COC(=O)C[C@@H]1CCC[C@H]1F 259566208 573765332 /nfs/dbraw/zinc/76/53/32/573765332.db2.gz CQFZPIAAHIFLII-NKWVEPMBSA-N 0 0 160.188 1.688 10 0 ADAERN ONCc1cc2c(cc1F)OCC2 258121134 573758755 /nfs/dbraw/zinc/75/87/55/573758755.db2.gz QMNSOJJZDBTOMN-UHFFFAOYSA-N 0 0 183.182 1.239 10 0 ADAERN CCOc1ccc(NC[NH2+]C)cc1C 258911800 573758760 /nfs/dbraw/zinc/75/87/60/573758760.db2.gz PHRCECCLJJTPEL-UHFFFAOYSA-N 0 0 194.278 1.983 10 0 ADAERN COCN(C)c1cccc(F)c1 259182565 573759051 /nfs/dbraw/zinc/75/90/51/573759051.db2.gz VEVCKKYBDBCIEC-UHFFFAOYSA-N 0 0 169.199 1.866 10 0 ADAERN COC(=O)C(C)(C)Nc1cc[nH]c1 258915756 573758772 /nfs/dbraw/zinc/75/87/72/573758772.db2.gz ZNUIERIADOAYQZ-UHFFFAOYSA-N 0 0 182.223 1.378 10 0 ADAERN COc1c(C)cc(C[NH2+]CO)cc1C 258914023 573759104 /nfs/dbraw/zinc/75/91/04/573759104.db2.gz MQJKTQPSSCTDOO-UHFFFAOYSA-N 0 0 195.262 1.351 10 0 ADAERN C[C@H](O)c1ccc2c(c1)COCC2 258120660 573759106 /nfs/dbraw/zinc/75/91/06/573759106.db2.gz ZZYNJHUMXSGSAR-QMMMGPOBSA-N 0 0 178.231 1.813 10 0 ADAERN O=Cc1nocc1C1CCC1 257868015 573757574 /nfs/dbraw/zinc/75/75/74/573757574.db2.gz XMPNKDXFKFROQZ-UHFFFAOYSA-N 0 0 151.165 1.755 10 0 ADAERN Cc1cccc([C@@H]2CCC(=O)N2)c1 238505935 573757642 /nfs/dbraw/zinc/75/76/42/573757642.db2.gz NPICEIQTZMIGBP-JTQLQIEISA-N 0 0 175.231 1.946 10 0 ADAERN C[C@H]1CCC[C@@H](Cn2nnnc2N)C1 235647209 573757645 /nfs/dbraw/zinc/75/76/45/573757645.db2.gz SMUACMAEXAWKAG-JGVFFNPUSA-N 0 0 195.270 1.082 10 0 ADAERN CC(C)Oc1cnn(C[C@H](C)O)c1 258120606 573757659 /nfs/dbraw/zinc/75/76/59/573757659.db2.gz ZIVRMZGKCLYKJT-QMMMGPOBSA-N 0 0 184.239 1.051 10 0 ADAERN COc1ccc2c(c1)NC[C@](C)(O)C2 257866539 573757671 /nfs/dbraw/zinc/75/76/71/573757671.db2.gz SFJUMRGJRHCJCY-LLVKDONJSA-N 0 0 193.246 1.414 10 0 ADAERN CCC(=O)[C@H](O)C1CCC1 259182880 573757695 /nfs/dbraw/zinc/75/76/95/573757695.db2.gz PBDSFIANPINVHL-MRVPVSSYSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@H]1CNc2cccc(CON)c21 258120860 573757696 /nfs/dbraw/zinc/75/76/96/573757696.db2.gz PDZFWYSYTPXWFO-ZETCQYMHSA-N 0 0 178.235 1.606 10 0 ADAERN Oc1cccc(O)c1CC1(O)CC1 258120184 573757716 /nfs/dbraw/zinc/75/77/16/573757716.db2.gz ZVSVASBKRTVRLH-UHFFFAOYSA-N 0 0 180.203 1.165 10 0 ADAERN Cc1ccc(Cl)cc1C(=O)NC#N 125051191 573757747 /nfs/dbraw/zinc/75/77/47/573757747.db2.gz BBCQXEGXKQSTPM-UHFFFAOYSA-N 0 0 194.621 1.859 10 0 ADAERN OCc1coc([C@H]2CCCCO2)n1 258120422 573757766 /nfs/dbraw/zinc/75/77/66/573757766.db2.gz ONZIMIVQWDWMCT-MRVPVSSYSA-N 0 0 183.207 1.409 10 0 ADAERN C[C@H](O)C(F)(F)Cl 143447194 573757806 /nfs/dbraw/zinc/75/78/06/573757806.db2.gz MJAMXKWXKUBGLC-REOHCLBHSA-N 0 0 130.521 1.199 10 0 ADAERN CC1(C)CNc2cc(O)ccc2O1 259183972 573757822 /nfs/dbraw/zinc/75/78/22/573757822.db2.gz JSVUYJUSFRZLBE-UHFFFAOYSA-N 0 0 179.219 1.975 10 0 ADAERN CCc1cc(CCON)ccc1C 258120211 573757823 /nfs/dbraw/zinc/75/78/23/573757823.db2.gz ZWCTYWHKVUZYDN-UHFFFAOYSA-N 0 0 179.263 1.990 10 0 ADAERN Cc1cccnc1C(F)(F)CN 238505313 573757838 /nfs/dbraw/zinc/75/78/38/573757838.db2.gz NKIMYSHUJWZIGV-UHFFFAOYSA-N 0 0 172.178 1.441 10 0 ADAERN CC[N@@H+]1CCC[C@H]1Cn1cc([O-])cn1 258120708 573759199 /nfs/dbraw/zinc/75/91/99/573759199.db2.gz ZKDCTHQRNXMDCE-VIFPVBQESA-N 0 0 195.266 1.073 10 0 ADAERN Cc1cccc2c1N[C@H](C(N)=O)CC2 257866476 573757853 /nfs/dbraw/zinc/75/78/53/573757853.db2.gz SBFNGFPGDUCPPK-VIFPVBQESA-N 0 0 190.246 1.207 10 0 ADAERN OC[NH2+]Cc1ccc(F)c(F)c1 258914075 573757854 /nfs/dbraw/zinc/75/78/54/573757854.db2.gz MRGYXJQTMUQHQK-UHFFFAOYSA-N 0 0 173.162 1.004 10 0 ADAERN CCC[C@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258120996 573757856 /nfs/dbraw/zinc/75/78/56/573757856.db2.gz IKMFODIVQOKDAZ-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@]1([C@@H]2CCC[NH2+]C2)C[C@@H]1C(=O)[O-] 257866863 573757860 /nfs/dbraw/zinc/75/78/60/573757860.db2.gz AAICWPCGVSTCPH-NQMVMOMDSA-N 0 0 183.251 1.097 10 0 ADAERN CCc1cnoc1C(C)=O 257866667 573757873 /nfs/dbraw/zinc/75/78/73/573757873.db2.gz XCHCSEKKYHBUMY-UHFFFAOYSA-N 0 0 139.154 1.440 10 0 ADAERN Cc1ccc(CS(C)(=O)=O)cc1N 258117095 573757876 /nfs/dbraw/zinc/75/78/76/573757876.db2.gz MBBJHFNWMWFKFR-UHFFFAOYSA-N 0 0 199.275 1.122 10 0 ADAERN C[S@](=O)Cc1ccc(O)cc1 238505344 573757887 /nfs/dbraw/zinc/75/78/87/573757887.db2.gz HYOSACCHTUYIDP-NSHDSACASA-N 0 0 170.233 1.271 10 0 ADAERN CCc1cc(F)c(O)c(CCO)c1 258121175 573757895 /nfs/dbraw/zinc/75/78/95/573757895.db2.gz QPCRMHOEDZLXBC-UHFFFAOYSA-N 0 0 184.210 1.629 10 0 ADAERN CCC[C@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258120993 573757918 /nfs/dbraw/zinc/75/79/18/573757918.db2.gz IKMFODIVQOKDAZ-APPZFPTMSA-N 0 0 171.240 1.239 10 0 ADAERN Cc1ccc2c(c1C(=O)[O-])CC[C@H]2[NH3+] 238506473 573757976 /nfs/dbraw/zinc/75/79/76/573757976.db2.gz ZPWQSOPDPWZGMD-SECBINFHSA-N 0 0 191.230 1.639 10 0 ADAERN C[C@H]1OCc2c(O)cccc2[C@H]1O 238505097 573757985 /nfs/dbraw/zinc/75/79/85/573757985.db2.gz BFAPKXQOLRZYTB-LDWIPMOCSA-N 0 0 180.203 1.344 10 0 ADAERN CC(=O)O[C@@]1(Cl)CCCC[C@H]1O 238080414 573757986 /nfs/dbraw/zinc/75/79/86/573757986.db2.gz ZZJSCCLRBDQKMP-SFYZADRCSA-N 0 0 192.642 1.420 10 0 ADAERN COc1cc(CON)ccc1SC 258119037 573757989 /nfs/dbraw/zinc/75/79/89/573757989.db2.gz LWEHMBFXLVVFBB-UHFFFAOYSA-N 0 0 199.275 1.807 10 0 ADAERN NC(=O)[C@H]1CCc2cccc(F)c2N1 257868223 573757992 /nfs/dbraw/zinc/75/79/92/573757992.db2.gz SNUZZTQIVKSTJA-MRVPVSSYSA-N 0 0 194.209 1.038 10 0 ADAERN CC(=O)O[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O 238081196 573757994 /nfs/dbraw/zinc/75/79/94/573757994.db2.gz BBVIRBIIIVALQK-QXEWZRGKSA-N 0 0 198.262 1.489 10 0 ADAERN O=Cc1c[nH]nc1C1CCSCC1 257866503 573758013 /nfs/dbraw/zinc/75/80/13/573758013.db2.gz SDARXQXXLPIVNE-UHFFFAOYSA-N 0 0 196.275 1.833 10 0 ADAERN Cc1cccc([C@](C)(CO)CON)c1 257866529 573758044 /nfs/dbraw/zinc/75/80/44/573758044.db2.gz SESIWNZGYLYEDI-LLVKDONJSA-N 0 0 195.262 1.135 10 0 ADAERN CONCc1cccc(O)c1OC 258121246 573758055 /nfs/dbraw/zinc/75/80/55/573758055.db2.gz QRHOITVXVJMATJ-UHFFFAOYSA-N 0 0 183.207 1.052 10 0 ADAERN Cc1nc(Cc2ccc(O)cc2)n[nH]1 238506453 573759204 /nfs/dbraw/zinc/75/92/04/573759204.db2.gz HDSLOQWGGGDSRC-UHFFFAOYSA-N 0 0 189.218 1.410 10 0 ADAERN COc1c(CON)ccc2[nH]ccc12 258121161 573758065 /nfs/dbraw/zinc/75/80/65/573758065.db2.gz QODLDJMAOGPOGG-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)COCC2 258120655 573758069 /nfs/dbraw/zinc/75/80/69/573758069.db2.gz ZZYNJHUMXSGSAR-MRVPVSSYSA-N 0 0 178.231 1.813 10 0 ADAERN C[N@@H+]1CCC[C@H](C[C@H]2C[C@H]2C(=O)[O-])C1 259184126 573758071 /nfs/dbraw/zinc/75/80/71/573758071.db2.gz QQOPFTVGWSMMJG-KXUCPTDWSA-N 0 0 197.278 1.439 10 0 ADAERN O=Cc1c(F)c(O)cc(O)c1F 258120000 573758086 /nfs/dbraw/zinc/75/80/86/573758086.db2.gz ZUPKZJLLDGQYJY-UHFFFAOYSA-N 0 0 174.102 1.189 10 0 ADAERN CC1(C)CCN(C(=O)C2CC2)C[C@@H]1O 259183495 573758101 /nfs/dbraw/zinc/75/81/01/573758101.db2.gz OWNJSWMDKWYZKN-VIFPVBQESA-N 0 0 197.278 1.016 10 0 ADAERN C[C@]12CCC=C[C@]1(O)CCC2=O 238505599 573758114 /nfs/dbraw/zinc/75/81/14/573758114.db2.gz OCJSERHJVSQJBB-ZJUUUORDSA-N 0 0 166.220 1.437 10 0 ADAERN CC(=O)O[C@@]12C=CC=C[C@@H]1CC2=O 238080549 573758116 /nfs/dbraw/zinc/75/81/16/573758116.db2.gz MOKHJDOBPKKWAQ-SCZZXKLOSA-N 0 0 178.187 1.003 10 0 ADAERN Cc1cc([C@@H]2CCCC2=O)c[nH]c1=O 238506676 573758173 /nfs/dbraw/zinc/75/81/73/573758173.db2.gz BBRLWWSBMFDCHM-VIFPVBQESA-N 0 0 191.230 1.932 10 0 ADAERN CCOC[C@H](O)c1ccco1 84063542 573758185 /nfs/dbraw/zinc/75/81/85/573758185.db2.gz GINRQQOCCYAILE-ZETCQYMHSA-N 0 0 156.181 1.350 10 0 ADAERN Cc1cc([C@@H]2CCC(=O)C2)c[nH]c1=O 238505832 573758196 /nfs/dbraw/zinc/75/81/96/573758196.db2.gz XRQMBXOMKIMILK-MRVPVSSYSA-N 0 0 191.230 1.932 10 0 ADAERN CCc1nc(SC)n(C)n1 108331892 573758206 /nfs/dbraw/zinc/75/82/06/573758206.db2.gz AWTDZUDNGJCTCB-UHFFFAOYSA-N 0 0 157.242 1.099 10 0 ADAERN CN(c1ccccn1)c1nnns1 258915534 573758203 /nfs/dbraw/zinc/75/82/03/573758203.db2.gz INUVVHRAJUNABT-UHFFFAOYSA-N 0 0 193.235 1.096 10 0 ADAERN CCc1ccnc(SC)n1 108331440 573758236 /nfs/dbraw/zinc/75/82/36/573758236.db2.gz MQRNXXYTKLOOEP-UHFFFAOYSA-N 0 0 154.238 1.761 10 0 ADAERN Cc1ccc(N(C)CCO)o1 258909674 573758241 /nfs/dbraw/zinc/75/82/41/573758241.db2.gz FECBDQITCGRYFG-UHFFFAOYSA-N 0 0 155.197 1.017 10 0 ADAERN C[C@]12CCCC(=O)N[C@H]1CCCC2=O 238506096 573758245 /nfs/dbraw/zinc/75/82/45/573758245.db2.gz KRVSHFCVPIBODB-KWQFWETISA-N 0 0 195.262 1.414 10 0 ADAERN COc1cccc2c1N[C@H]1C[C@@H]21 257867541 573758252 /nfs/dbraw/zinc/75/82/52/573758252.db2.gz DOCPPXMLSUTQKV-YUMQZZPRSA-N 0 0 161.204 1.977 10 0 ADAERN C[C@@H](CO)CN(C)C(=O)[C@@H]1CC1(C)C 688720872 573758268 /nfs/dbraw/zinc/75/82/68/573758268.db2.gz OATCKSHUIRUMOJ-BDAKNGLRSA-N 0 0 199.294 1.119 10 0 ADAERN CC(C)(C)c1nnn2cc(N)cnc12 257868170 573758277 /nfs/dbraw/zinc/75/82/77/573758277.db2.gz SNAPUKIDDYHWFE-UHFFFAOYSA-N 0 0 191.238 1.004 10 0 ADAERN CC(C)(CCCCO)C1OCCO1 238098299 573758288 /nfs/dbraw/zinc/75/82/88/573758288.db2.gz FMVRJWPULZHVGJ-UHFFFAOYSA-N 0 0 188.267 1.548 10 0 ADAERN CN(C)c1ccc(O)c(CCCO)c1 258121191 573758289 /nfs/dbraw/zinc/75/82/89/573758289.db2.gz QQDCJYZRGMCZCY-UHFFFAOYSA-N 0 0 195.262 1.383 10 0 ADAERN C[C@@H]1C=C(c2ccco2)[C@H](O)O1 238505575 573758293 /nfs/dbraw/zinc/75/82/93/573758293.db2.gz OSZFVLFACJOSOK-HZGVNTEJSA-N 0 0 166.176 1.400 10 0 ADAERN CCOCc1nc(N)c2c(n1)CCC2 84065074 573758295 /nfs/dbraw/zinc/75/82/95/573758295.db2.gz OKOKVEBQPIHGRI-UHFFFAOYSA-N 0 0 193.250 1.084 10 0 ADAERN Clc1cc2nc(C3CC3)nc-2[n-][nH+]1 258119982 573758302 /nfs/dbraw/zinc/75/83/02/573758302.db2.gz ZUIAXSLUKPBSIG-UHFFFAOYSA-N 0 0 194.625 1.884 10 0 ADAERN COC(=O)[C@@H](C)[C@H](C)c1ocnc1C 259564959 573758307 /nfs/dbraw/zinc/75/83/07/573758307.db2.gz CRRZAWOTWYQIJC-BQBZGAKWSA-N 0 0 197.234 1.896 10 0 ADAERN COc1nc(C(C)C)nc2c1CNC2 257866471 573758312 /nfs/dbraw/zinc/75/83/12/573758312.db2.gz SBBFLRKUMCPGJY-UHFFFAOYSA-N 0 0 193.250 1.212 10 0 ADAERN Cc1ccoc1[C@@H](C)NN 122511660 573758313 /nfs/dbraw/zinc/75/83/13/573758313.db2.gz OQFPCEQUTIWNLL-ZCFIWIBFSA-N 0 0 140.186 1.112 10 0 ADAERN OCc1cc2c(cc1F)OCC2 258120649 573758314 /nfs/dbraw/zinc/75/83/14/573758314.db2.gz ZZXSTVXAYZCJDV-UHFFFAOYSA-N 0 0 168.167 1.253 10 0 ADAERN CC[C@H](CC(=O)[O-])Nc1cc[nH+]cc1 127057153 573758319 /nfs/dbraw/zinc/75/83/19/573758319.db2.gz SCVZEHZVMVEPPP-MRVPVSSYSA-N 0 0 194.234 1.747 10 0 ADAERN C[N@@H+]1CCC[C@H](C[C@@H]2C[C@H]2C(=O)[O-])C1 259184128 573758345 /nfs/dbraw/zinc/75/83/45/573758345.db2.gz QQOPFTVGWSMMJG-OPRDCNLKSA-N 0 0 197.278 1.439 10 0 ADAERN Cn1cc(Cc2ccc(N)o2)cn1 238505113 573758350 /nfs/dbraw/zinc/75/83/50/573758350.db2.gz JAYJLRVSURCGIU-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN Cc1cc(C[C@@H](C)O)c(C=O)cc1F 258121168 573758356 /nfs/dbraw/zinc/75/83/56/573758356.db2.gz QOSQSUGTOCYZHK-MRVPVSSYSA-N 0 0 196.221 1.870 10 0 ADAERN C[C@@H]1CNc2cccc(CON)c21 258120857 573758370 /nfs/dbraw/zinc/75/83/70/573758370.db2.gz PDZFWYSYTPXWFO-SSDOTTSWSA-N 0 0 178.235 1.606 10 0 ADAERN COc1ccc(SNN)cc1 259182039 573758388 /nfs/dbraw/zinc/75/83/88/573758388.db2.gz INBYMSGVXUPJPL-UHFFFAOYSA-N 0 0 170.237 1.166 10 0 ADAERN O=[N+]([O-])/C=C/[C@@H]1CCSC1 224654236 573758390 /nfs/dbraw/zinc/75/83/90/573758390.db2.gz GCQHIZUUPRTOKV-OFRQFNDLSA-N 0 0 159.210 1.530 10 0 ADAERN CCCCC[N@H+](C)CC1(C(=O)[O-])CC1 258910299 573758413 /nfs/dbraw/zinc/75/84/13/573758413.db2.gz MBNFLHVJURZODE-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN C[C@H]1O[C@@](C)(O)c2cnccc21 238505536 573758414 /nfs/dbraw/zinc/75/84/14/573758414.db2.gz OWVCGXHZPVPOBC-HZGVNTEJSA-N 0 0 165.192 1.338 10 0 ADAERN CC(=O)[C@](C)(O)C1CCCCC1 238097821 573758420 /nfs/dbraw/zinc/75/84/20/573758420.db2.gz HNPKHDXYGBZFNU-JTQLQIEISA-N 0 0 170.252 1.907 10 0 ADAERN Cc1ccc2c(c1O)CO[C@H]2CCO 238505871 573758423 /nfs/dbraw/zinc/75/84/23/573758423.db2.gz UBDUHSNVMNXAJX-JTQLQIEISA-N 0 0 194.230 1.654 10 0 ADAERN CC(=O)NC[C@@H]1CC=C(C)CC1 238098077 573758426 /nfs/dbraw/zinc/75/84/26/573758426.db2.gz FWGFMEORSGGPKR-SNVBAGLBSA-N 0 0 167.252 1.869 10 0 ADAERN Cc1cc(CCO)c(C)cc1F 258120341 573758457 /nfs/dbraw/zinc/75/84/57/573758457.db2.gz ZYSXXOWJKSJBPB-UHFFFAOYSA-N 0 0 168.211 1.977 10 0 ADAERN C[C@@H](O)C(F)(F)Cl 143447000 573758462 /nfs/dbraw/zinc/75/84/62/573758462.db2.gz MJAMXKWXKUBGLC-UWTATZPHSA-N 0 0 130.521 1.199 10 0 ADAERN Cc1nc(C(F)F)ccc1N 238505337 573758471 /nfs/dbraw/zinc/75/84/71/573758471.db2.gz LUCTZOICMMWQGU-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN C[C@@H]1CN(C2CCCCC2)C(=O)N1 143444944 573758477 /nfs/dbraw/zinc/75/84/77/573758477.db2.gz FILJSPRTZWLAGE-MRVPVSSYSA-N 0 0 182.267 1.733 10 0 ADAERN Cc1ccc(CS(C)(=O)=O)c(N)c1 258120033 573758496 /nfs/dbraw/zinc/75/84/96/573758496.db2.gz MPQRXYJWUZBGCL-UHFFFAOYSA-N 0 0 199.275 1.122 10 0 ADAERN C[C@H](O)[C@H]1Cc2c(F)cccc2N1C 258120549 573758509 /nfs/dbraw/zinc/75/85/09/573758509.db2.gz JPDYGXKBNJRSBZ-WRWORJQWSA-N 0 0 195.237 1.567 10 0 ADAERN CN(CC1(CO)CCC1)c1ccc[nH]1 258916726 573758528 /nfs/dbraw/zinc/75/85/28/573758528.db2.gz GKGWYEQXWJJEEX-UHFFFAOYSA-N 0 0 194.278 1.614 10 0 ADAERN O=C1NC=C[C@H]2[C@H]1CC2(Cl)Cl 238506536 573758606 /nfs/dbraw/zinc/75/86/06/573758606.db2.gz WWGJTSHVBWZJIN-UHNVWZDZSA-N 0 0 192.045 1.440 10 0 ADAERN C[C@@H](O)Cc1cc(CF)ccc1O 258121162 573758620 /nfs/dbraw/zinc/75/86/20/573758620.db2.gz QOFGUCZXCIYMMK-SSDOTTSWSA-N 0 0 184.210 1.785 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCCO2)[nH]n1 257866527 573758621 /nfs/dbraw/zinc/75/86/21/573758621.db2.gz SEQGJPLSQCVJLF-JTQLQIEISA-N 0 0 194.234 1.854 10 0 ADAERN O=C1C[C@@H]2CCC[C@@]12Cl 238505826 573758626 /nfs/dbraw/zinc/75/86/26/573758626.db2.gz IFOLWCYKQHKLFU-FSPLSTOPSA-N 0 0 144.601 1.737 10 0 ADAERN CC(=O)O[C@@H]1Cc2ccc(O)cc2C1 238077268 573758641 /nfs/dbraw/zinc/75/86/41/573758641.db2.gz YTGPNNGBWPDIHW-LLVKDONJSA-N 0 0 192.214 1.423 10 0 ADAERN OCCC(F)(F)c1ccccc1O 257866461 573758650 /nfs/dbraw/zinc/75/86/50/573758650.db2.gz SAPXIFUXSBIRRP-UHFFFAOYSA-N 0 0 188.173 1.866 10 0 ADAERN CCCc1ccc(C[NH2+]CO)cc1 258915836 573758660 /nfs/dbraw/zinc/75/86/60/573758660.db2.gz MVGFYKNOYYECST-UHFFFAOYSA-N 0 0 179.263 1.679 10 0 ADAERN C/C=C1/C=C(C)C2(CC2)[C@](C)(O)[C@H]1O 238076970 573759883 /nfs/dbraw/zinc/75/98/83/573759883.db2.gz SBQQUUWVEIZPIM-RJAQEEFZSA-N 0 0 194.274 1.785 10 0 ADAERN CCC[C@@H]1C[NH2+][C@@](C)(C(=O)[O-])C1 258120995 573758667 /nfs/dbraw/zinc/75/86/67/573758667.db2.gz IKMFODIVQOKDAZ-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN CC(=O)[C@H]1CC[C@@H](F)C1 238077143 573758678 /nfs/dbraw/zinc/75/86/78/573758678.db2.gz PSZKPKIZLJNKOP-NKWVEPMBSA-N 0 0 130.162 1.714 10 0 ADAERN CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C(=O)[O-])C1 257866226 573758685 /nfs/dbraw/zinc/75/86/85/573758685.db2.gz PPARRWJVNSXISI-RKDXNWHRSA-N 0 0 199.294 1.875 10 0 ADAERN CN[C@H](C(C)=O)c1ccc(F)cc1F 259564751 573758725 /nfs/dbraw/zinc/75/87/25/573758725.db2.gz WJOOTZAEOPOREV-SNVBAGLBSA-N 0 0 199.200 1.814 10 0 ADAERN OCc1coc([C@@H]2CCCCO2)n1 258120423 573758693 /nfs/dbraw/zinc/75/86/93/573758693.db2.gz ONZIMIVQWDWMCT-QMMMGPOBSA-N 0 0 183.207 1.409 10 0 ADAERN C[S@](=O)C[C@H]1CCCCC[C@@H]1O 238505161 573758695 /nfs/dbraw/zinc/75/86/95/573758695.db2.gz WJDDQLPNLBWDTD-PTRXPTGYSA-N 0 0 190.308 1.306 10 0 ADAERN CC(=O)O[C@@]12C=CC=C[C@H]1CC2=O 238080577 573758701 /nfs/dbraw/zinc/75/87/01/573758701.db2.gz MOKHJDOBPKKWAQ-WPRPVWTQSA-N 0 0 178.187 1.003 10 0 ADAERN CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C(=O)[O-])C1 257866220 573758722 /nfs/dbraw/zinc/75/87/22/573758722.db2.gz PPARRWJVNSXISI-DTWKUNHWSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@@H](C[N@H+](C)CC(C)C)C(=O)[O-] 258913742 573758748 /nfs/dbraw/zinc/75/87/48/573758748.db2.gz GBFZCTJPTYKBTJ-VIFPVBQESA-N 0 0 187.283 1.685 10 0 ADAERN OCCCc1ccc2c(c1)COCC2 258121165 573759885 /nfs/dbraw/zinc/75/98/85/573759885.db2.gz QOLRWGXDDCEDID-UHFFFAOYSA-N 0 0 192.258 1.684 10 0 ADAERN O=C1C[C@@H]2C=C[C@]2(Cl)C1 238505487 573758784 /nfs/dbraw/zinc/75/87/84/573758784.db2.gz QBCZYFMKYVIGRN-FSPLSTOPSA-N 0 0 142.585 1.513 10 0 ADAERN Cc1cnc(C(F)F)c(F)c1CO 238506097 573758803 /nfs/dbraw/zinc/75/88/03/573758803.db2.gz MPNIIAYFKRMMOF-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C[S@](=O)/C=C(/CO)c1ccccc1 238506193 573758811 /nfs/dbraw/zinc/75/88/11/573758811.db2.gz QSAIGQUGWHVXEP-KJJQSCHISA-N 0 0 196.271 1.398 10 0 ADAERN Clc1cccn2nccc12 238505863 573758820 /nfs/dbraw/zinc/75/88/20/573758820.db2.gz YKFKUQJMFYXOOA-UHFFFAOYSA-N 0 0 152.584 1.988 10 0 ADAERN CC(=O)Nc1ccnc(Cl)c1N 238097631 573758829 /nfs/dbraw/zinc/75/88/29/573758829.db2.gz ZVSSFTIQWYIKFN-UHFFFAOYSA-N 0 0 185.614 1.276 10 0 ADAERN COC[C@H]1CCOc2cc(O)ccc21 257867190 573758831 /nfs/dbraw/zinc/75/88/31/573758831.db2.gz SGNWXHYYXONYRH-MRVPVSSYSA-N 0 0 194.230 1.905 10 0 ADAERN C[C@@H]1CNc2c(CON)cccc21 258120880 573758891 /nfs/dbraw/zinc/75/88/91/573758891.db2.gz PEBWEGWJIUYPQJ-SSDOTTSWSA-N 0 0 178.235 1.606 10 0 ADAERN NC(=O)CNc1coc2ccccc12 259182594 573758837 /nfs/dbraw/zinc/75/88/37/573758837.db2.gz VFWNSTACWPAHBS-UHFFFAOYSA-N 0 0 190.202 1.330 10 0 ADAERN C[S@](=O)[C@]1(C)CCCCC1=O 238506175 573758846 /nfs/dbraw/zinc/75/88/46/573758846.db2.gz LVLQJCQAXMMHPB-KCJUWKMLSA-N 0 0 174.265 1.267 10 0 ADAERN CCOC[C@H](O)C1CCCC1 84063023 573758852 /nfs/dbraw/zinc/75/88/52/573758852.db2.gz VCKQSHDJBLMAJB-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CCOC[C@H](O)C[C@@H](C)CC 84063270 573758865 /nfs/dbraw/zinc/75/88/65/573758865.db2.gz UCCUWXTXBLVMOK-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)Oc1cnn(C[C@@H](C)O)c1 258120601 573758913 /nfs/dbraw/zinc/75/89/13/573758913.db2.gz ZIVRMZGKCLYKJT-MRVPVSSYSA-N 0 0 184.239 1.051 10 0 ADAERN CCC(=O)[C@H](O)c1cc[nH]c1 259182924 573758928 /nfs/dbraw/zinc/75/89/28/573758928.db2.gz PCEPZQFNSHJMLJ-MRVPVSSYSA-N 0 0 153.181 1.027 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@@H]1CCOC1 258421941 573758930 /nfs/dbraw/zinc/75/89/30/573758930.db2.gz CAQPRFBDILHQIN-FXQIFTODSA-N 0 0 162.204 1.132 10 0 ADAERN C[C@H](CO)c1cc(CF)ccc1O 258121172 573758932 /nfs/dbraw/zinc/75/89/32/573758932.db2.gz QOVRQEXXFQSAIC-SSDOTTSWSA-N 0 0 184.210 1.958 10 0 ADAERN CN(C(=O)C1(CO)CC1)C(C)(C)C 258914048 573758934 /nfs/dbraw/zinc/75/89/34/573758934.db2.gz JTAUHYSGZDQDAU-UHFFFAOYSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@H](CC[NH2+]Cc1ccc[nH]1)C(=O)[O-] 258911922 573758953 /nfs/dbraw/zinc/75/89/53/573758953.db2.gz PJTVBFJDZFMNIB-MRVPVSSYSA-N 0 0 196.250 1.215 10 0 ADAERN COCc1c(N)cnn1C(C)C 257866058 573758956 /nfs/dbraw/zinc/75/89/56/573758956.db2.gz DEKSFEGRBXDHIY-UHFFFAOYSA-N 0 0 169.228 1.193 10 0 ADAERN CC(=O)c1cnc([C@H]2CCCO2)o1 258120417 573758978 /nfs/dbraw/zinc/75/89/78/573758978.db2.gz ONWBTVLFOWPAQQ-SSDOTTSWSA-N 0 0 181.191 1.729 10 0 ADAERN FC(F)c1cnoc1 257868022 573758979 /nfs/dbraw/zinc/75/89/79/573758979.db2.gz XNCNPDMWLBFUKS-UHFFFAOYSA-N 0 0 119.070 1.612 10 0 ADAERN Cc1c[nH]c(C(F)F)c(CO)c1=O 238505130 573758980 /nfs/dbraw/zinc/75/89/80/573758980.db2.gz AEPYHJLYZGZMMW-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN OCCCc1nc(C(F)(F)F)co1 258119939 573759052 /nfs/dbraw/zinc/75/90/52/573759052.db2.gz PJEAPMDWAUQPEH-UHFFFAOYSA-N 0 0 195.140 1.618 10 0 ADAERN C[C@@H](CO)c1cccc2c1OCO2 258120680 573758993 /nfs/dbraw/zinc/75/89/93/573758993.db2.gz ZZZYYBKNDNZWCT-ZETCQYMHSA-N 0 0 180.203 1.511 10 0 ADAERN Cc1cccc(/C(=C/CO)CO)c1 238505579 573759004 /nfs/dbraw/zinc/75/90/04/573759004.db2.gz XRXKBCKCLTZALN-VZUCSPMQSA-N 0 0 178.231 1.363 10 0 ADAERN C/C=C1/CO[C@H]2CC(=O)C[C@H]12 238077745 573759008 /nfs/dbraw/zinc/75/90/08/573759008.db2.gz BKAXMSLDAPPEMI-ZVKWBGQQSA-N 0 0 152.193 1.311 10 0 ADAERN CCC(=O)[C@@H](O)c1cc[nH]c1 259182926 573759017 /nfs/dbraw/zinc/75/90/17/573759017.db2.gz PCEPZQFNSHJMLJ-QMMMGPOBSA-N 0 0 153.181 1.027 10 0 ADAERN CC[N@@H+]1CCC[C@@H]1Cn1cc([O-])cn1 258120705 573759020 /nfs/dbraw/zinc/75/90/20/573759020.db2.gz ZKDCTHQRNXMDCE-SECBINFHSA-N 0 0 195.266 1.073 10 0 ADAERN C[C@H](CO)c1ccoc1 224645169 573759044 /nfs/dbraw/zinc/75/90/44/573759044.db2.gz RWKCQUOXZGIDDL-ZCFIWIBFSA-N 0 0 126.155 1.375 10 0 ADAERN Cc1nc(C2CC2)nc(C)c1CCO 258119275 573759117 /nfs/dbraw/zinc/75/91/17/573759117.db2.gz WCBBNYYPOZEGCL-UHFFFAOYSA-N 0 0 192.262 1.506 10 0 ADAERN CC[C@H](C[N@H+](C)CC(C)C)C(=O)[O-] 258913741 573759118 /nfs/dbraw/zinc/75/91/18/573759118.db2.gz GBFZCTJPTYKBTJ-SECBINFHSA-N 0 0 187.283 1.685 10 0 ADAERN Cc1cc(C[C@H](C)O)c(C=O)cc1F 258121169 573759123 /nfs/dbraw/zinc/75/91/23/573759123.db2.gz QOSQSUGTOCYZHK-QMMMGPOBSA-N 0 0 196.221 1.870 10 0 ADAERN Cc1nc(C(N)=O)ccc1C(F)F 238506643 573759125 /nfs/dbraw/zinc/75/91/25/573759125.db2.gz WEGSKIAPZFBCDH-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN COC(=O)c1cc(C=O)c(F)cc1C 258119824 573759130 /nfs/dbraw/zinc/75/91/30/573759130.db2.gz PIDSYNMTCVVKFE-UHFFFAOYSA-N 0 0 196.177 1.733 10 0 ADAERN C[C@@H]1C(N)=NO[C@@H]1c1ccc(O)cc1 238513849 573759132 /nfs/dbraw/zinc/75/91/32/573759132.db2.gz XNBBCGFJFNREAT-RCOVLWMOSA-N 0 0 192.218 1.372 10 0 ADAERN O=c1nc(Cc2cccs2)o[nH]1 258120053 573759151 /nfs/dbraw/zinc/75/91/51/573759151.db2.gz TXRCBBZSJOPIOJ-UHFFFAOYSA-N 0 0 182.204 1.428 10 0 ADAERN Nc1cc2cc[nH+]cc2cc1C(=O)[O-] 257866465 573759186 /nfs/dbraw/zinc/75/91/86/573759186.db2.gz SATMNKWPFUHOPU-UHFFFAOYSA-N 0 0 188.186 1.515 10 0 ADAERN Cc1cc(Cl)cc2c1O[C@H](CO)C2 238506214 573759228 /nfs/dbraw/zinc/75/92/28/573759228.db2.gz UBGQCNMKMJJWSR-VIFPVBQESA-N 0 0 198.649 1.944 10 0 ADAERN C[C@H]1CN(C2CCCCC2)C(=O)N1 143445154 573759250 /nfs/dbraw/zinc/75/92/50/573759250.db2.gz FILJSPRTZWLAGE-QMMMGPOBSA-N 0 0 182.267 1.733 10 0 ADAERN C[C@@H]1O[C@H](C)[C@@H](O)c2c(O)cccc21 238505545 573759253 /nfs/dbraw/zinc/75/92/53/573759253.db2.gz WJEMXZJNOVYMDR-MVKOHCKWSA-N 0 0 194.230 1.905 10 0 ADAERN Cc1nccc(C(=O)c2ccco2)n1 125045443 573759261 /nfs/dbraw/zinc/75/92/61/573759261.db2.gz WVYCUJNKOMZNCP-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN Cc1c(CON)ccc2c1OCCO2 258121210 573759299 /nfs/dbraw/zinc/75/92/99/573759299.db2.gz QQRBBFQIVFDGMF-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](C)c1ocnc1C 259564962 573759317 /nfs/dbraw/zinc/75/93/17/573759317.db2.gz CRRZAWOTWYQIJC-RQJHMYQMSA-N 0 0 197.234 1.896 10 0 ADAERN CCC(=O)[C@@H](O)C1CCC1 259182882 573759323 /nfs/dbraw/zinc/75/93/23/573759323.db2.gz PBDSFIANPINVHL-QMMMGPOBSA-N 0 0 142.198 1.127 10 0 ADAERN Cc1cccc2c1N[C@@H](C(N)=O)CC2 257866475 573759326 /nfs/dbraw/zinc/75/93/26/573759326.db2.gz SBFNGFPGDUCPPK-SECBINFHSA-N 0 0 190.246 1.207 10 0 ADAERN Cc1nccc(CC[C@@H](C)O)n1 125047354 573759327 /nfs/dbraw/zinc/75/93/27/573759327.db2.gz FFANJPUPWUIFFX-SSDOTTSWSA-N 0 0 166.224 1.098 10 0 ADAERN CC(C)c1cc2c(cn1)CNC(=O)N2 257867482 573759334 /nfs/dbraw/zinc/75/93/34/573759334.db2.gz SJHRZFKFQNOVOI-UHFFFAOYSA-N 0 0 191.234 1.840 10 0 ADAERN O=C1C[C@H]2C=C[C@]2(Cl)C1 238505508 573759339 /nfs/dbraw/zinc/75/93/39/573759339.db2.gz QBCZYFMKYVIGRN-VDTYLAMSSA-N 0 0 142.585 1.513 10 0 ADAERN ONCc1cccc2ccncc12 258120179 573759342 /nfs/dbraw/zinc/75/93/42/573759342.db2.gz ZVQFHFPAIVQJRC-UHFFFAOYSA-N 0 0 174.203 1.714 10 0 ADAERN C[C@]12CCCC(=O)[C@@H]1C[C@@H]2O 238506386 573759356 /nfs/dbraw/zinc/75/93/56/573759356.db2.gz XCSSSHGZSLKAMH-XVYDVKMFSA-N 0 0 154.209 1.127 10 0 ADAERN Cc1c[nH]c([C@H](O)c2ccccc2)n1 143436257 573759380 /nfs/dbraw/zinc/75/93/80/573759380.db2.gz SCMYNNBZYBKKEV-SNVBAGLBSA-N 0 0 188.230 1.800 10 0 ADAERN Nc1csc(NC2CCC2)n1 257867118 573759385 /nfs/dbraw/zinc/75/93/85/573759385.db2.gz HEOIOPRJZRXDQV-UHFFFAOYSA-N 0 0 169.253 1.690 10 0 ADAERN CC(=O)[C@@H]1CC(C)=C[C@@H](C)O1 238506330 573759386 /nfs/dbraw/zinc/75/93/86/573759386.db2.gz KFXVDTCSSLAXBH-APPZFPTMSA-N 0 0 154.209 1.699 10 0 ADAERN CN1C(=O)CCCNc2ccccc21 259182403 573759391 /nfs/dbraw/zinc/75/93/91/573759391.db2.gz BFLLOLTTYMGWSW-UHFFFAOYSA-N 0 0 190.246 1.855 10 0 ADAERN CC(=O)NC1[C@@H]2C=CC3C=C[C@@H]1C32 238077690 573759396 /nfs/dbraw/zinc/75/93/96/573759396.db2.gz LKAOATIBPSRCSL-QHZLJDSJSA-N 0 0 175.231 1.109 10 0 ADAERN CC1=NNC(=O)[C@H]1c1ccc(F)cc1 257866469 573759401 /nfs/dbraw/zinc/75/94/01/573759401.db2.gz SBAQGNGXGBBYJO-SECBINFHSA-N 0 0 192.193 1.415 10 0 ADAERN CC(C)Cc1nnc2ccccn12 258119391 573759415 /nfs/dbraw/zinc/75/94/15/573759415.db2.gz YSOZHWDMAJXSQG-UHFFFAOYSA-N 0 0 175.235 1.928 10 0 ADAERN CC(C)[C@H](CO)N(C)c1ccc[nH]1 258911736 573759434 /nfs/dbraw/zinc/75/94/34/573759434.db2.gz SVCRIGCESLUVKL-VIFPVBQESA-N 0 0 182.267 1.468 10 0 ADAERN Cc1cccc([C@@H]2CCC(=O)N2)c1N 238506049 573759438 /nfs/dbraw/zinc/75/94/38/573759438.db2.gz BDJQRXKRJHVWOP-VIFPVBQESA-N 0 0 190.246 1.528 10 0 ADAERN CN(CO)c1cccc(F)c1 258917613 573759444 /nfs/dbraw/zinc/75/94/44/573759444.db2.gz NBOZNPVVLCYWMS-UHFFFAOYSA-N 0 0 155.172 1.212 10 0 ADAERN CC(=O)Nc1cc(O)cc(O)c1C 238077495 573759481 /nfs/dbraw/zinc/75/94/81/573759481.db2.gz ADCBKBCWHGWLSS-UHFFFAOYSA-N 0 0 181.191 1.365 10 0 ADAERN CC1(C)CCN(C(=O)C2CC2)C[C@H]1O 259183492 573759482 /nfs/dbraw/zinc/75/94/82/573759482.db2.gz OWNJSWMDKWYZKN-SECBINFHSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@]12CCC=C[C@@H]1C(=O)C2 238505320 573759485 /nfs/dbraw/zinc/75/94/85/573759485.db2.gz CYYFCXWSKGZCHC-VXNVDRBHSA-N 0 0 136.194 1.932 10 0 ADAERN Cc1cc2c(=S)[nH]cnc2[nH]1 238505512 573759499 /nfs/dbraw/zinc/75/94/99/573759499.db2.gz BPVMIIVBUSGQHP-UHFFFAOYSA-N 0 0 165.221 1.555 10 0 ADAERN Cc1cc(Cl)cc2c1CNC2=O 238505925 573759527 /nfs/dbraw/zinc/75/95/27/573759527.db2.gz ACRDDOBAZYCDMO-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN Nc1cc(CN2CCCCC2)ns1 257866336 573759558 /nfs/dbraw/zinc/75/95/58/573759558.db2.gz DJDLJLVPBNKADD-UHFFFAOYSA-N 0 0 197.307 1.711 10 0 ADAERN CC(C)(C)OC(=O)N1C(=O)N[C@@H]2C[C@@H]21 238097541 573759564 /nfs/dbraw/zinc/75/95/64/573759564.db2.gz KPSAPNQYLQBNLM-RITPCOANSA-N 0 0 198.222 1.088 10 0 ADAERN Cc1cc([C@@H](C)N[C@@H]2C[C@H]2CO)no1 308696733 573759568 /nfs/dbraw/zinc/75/95/68/573759568.db2.gz RTRKVPZDPQERNI-KHQFGBGNSA-N 0 0 196.250 1.014 10 0 ADAERN CC(=O)O[C@H]1C=Cc2cocc2C1 238077329 573759591 /nfs/dbraw/zinc/75/95/91/573759591.db2.gz PBNKNXMTVNOTHU-JTQLQIEISA-N 0 0 178.187 1.781 10 0 ADAERN C[C@]1([C@H]2CCC[NH2+]C2)C[C@@H]1C(=O)[O-] 257866869 573759600 /nfs/dbraw/zinc/75/96/00/573759600.db2.gz AAICWPCGVSTCPH-QXFUBDJGSA-N 0 0 183.251 1.097 10 0 ADAERN CCOC(=O)c1c(N)cnn1C(C)C 258119893 573759607 /nfs/dbraw/zinc/75/96/07/573759607.db2.gz MNNMOLLXUWURRT-UHFFFAOYSA-N 0 0 197.238 1.223 10 0 ADAERN CC(C)(C)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])C1 257866222 573759610 /nfs/dbraw/zinc/75/96/10/573759610.db2.gz PPARRWJVNSXISI-IUCAKERBSA-N 0 0 199.294 1.875 10 0 ADAERN CC(=O)[C@@]1([Si](C)(C)C)O[C@@H]1C 238505623 573759615 /nfs/dbraw/zinc/75/96/15/573759615.db2.gz RZQJCGOXPIYBJY-SFYZADRCSA-N 0 0 172.300 1.610 10 0 ADAERN CC(C)(C)Oc1cncc(N)c1 122524501 573759624 /nfs/dbraw/zinc/75/96/24/573759624.db2.gz HUKKGCLRVGLNRW-UHFFFAOYSA-N 0 0 166.224 1.841 10 0 ADAERN Cc1ccsc1N(C)CCCO 259182194 573759626 /nfs/dbraw/zinc/75/96/26/573759626.db2.gz ZIIOJVXNXBWOSU-UHFFFAOYSA-N 0 0 185.292 1.875 10 0 ADAERN CCn1[nH]c(=O)cc1C1CCOCC1 257866483 573759648 /nfs/dbraw/zinc/75/96/48/573759648.db2.gz SBNLTKJHDQDVHG-UHFFFAOYSA-N 0 0 196.250 1.503 10 0 ADAERN CC(=O)NC1C[C@H]2CCC[C@@H]2C1 238080666 573759716 /nfs/dbraw/zinc/75/97/16/573759716.db2.gz XREMOKLAWJYUBC-RKDXNWHRSA-N 0 0 167.252 1.701 10 0 ADAERN C[N@@H+]1CCC[C@H](C[C@@H]2C[C@@H]2C(=O)[O-])C1 259184122 573759749 /nfs/dbraw/zinc/75/97/49/573759749.db2.gz QQOPFTVGWSMMJG-BBBLOLIVSA-N 0 0 197.278 1.439 10 0 ADAERN Nc1[nH]ccc1-c1cccc(O)c1 258119963 573759879 /nfs/dbraw/zinc/75/98/79/573759879.db2.gz MOQCXFLOQNOORC-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN Cc1ccc(N(C)CC2(CO)CC2)o1 258912018 573759782 /nfs/dbraw/zinc/75/97/82/573759782.db2.gz MFGKUSPENNSGHC-UHFFFAOYSA-N 0 0 195.262 1.797 10 0 ADAERN CC(=O)NC1C[C@@H]2CCC[C@H]2C1 238080605 573759795 /nfs/dbraw/zinc/75/97/95/573759795.db2.gz XREMOKLAWJYUBC-IUCAKERBSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1cc([C@@H]2CCC(=O)N2)ccc1N 238506154 573759807 /nfs/dbraw/zinc/75/98/07/573759807.db2.gz IHUGRAFXPFEFPN-JTQLQIEISA-N 0 0 190.246 1.528 10 0 ADAERN CC(=O)[C@](C)(O)C[Si](C)(C)C 238098004 573759811 /nfs/dbraw/zinc/75/98/11/573759811.db2.gz KTJURPTYEUOTLG-MRVPVSSYSA-N 0 0 174.316 1.665 10 0 ADAERN O=C1NC=C[C@@H]2[C@H]1CC2(Cl)Cl 238506557 573759821 /nfs/dbraw/zinc/75/98/21/573759821.db2.gz WWGJTSHVBWZJIN-RFZPGFLSSA-N 0 0 192.045 1.440 10 0 ADAERN CC(=O)c1nc2c(o1)CCCC2=O 238077072 573759908 /nfs/dbraw/zinc/75/99/08/573759908.db2.gz RDIMOHFYUSELRD-UHFFFAOYSA-N 0 0 179.175 1.396 10 0 ADAERN C[C@H]1O[C@H](O)c2ccccc2C1=O 238507985 573762847 /nfs/dbraw/zinc/76/28/47/573762847.db2.gz LDGJHAKWHHBUEY-LDWIPMOCSA-N 0 0 178.187 1.279 10 0 ADAERN CC[C@@H](O)c1ccncc1F 122558702 573761406 /nfs/dbraw/zinc/76/14/06/573761406.db2.gz ZDVSXLXIYDBRHO-MRVPVSSYSA-N 0 0 155.172 1.664 10 0 ADAERN CC(=O)CN1CCC(C)(C)CC1=O 108336297 573761409 /nfs/dbraw/zinc/76/14/09/573761409.db2.gz ZZHUPGLQZOQXSR-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CC(=O)[C@H]1Cc2cc(C)ccc2O1 258122672 573761412 /nfs/dbraw/zinc/76/14/12/573761412.db2.gz PEQYWVLWJWCYCO-LLVKDONJSA-N 0 0 176.215 1.888 10 0 ADAERN O=c1[nH]ccc2c(Cl)ccnc12 238507503 573763082 /nfs/dbraw/zinc/76/30/82/573763082.db2.gz GFTICCJCMKGTQE-UHFFFAOYSA-N 0 0 180.594 1.577 10 0 ADAERN Cc1ccc2c(c1C[C@H](C)O)OCO2 258123879 573763510 /nfs/dbraw/zinc/76/35/10/573763510.db2.gz QVEBZLQOQJTRAB-QMMMGPOBSA-N 0 0 194.230 1.647 10 0 ADAERN Cc1cc(C)c([S@](C)=O)c(N)c1 238506261 573760696 /nfs/dbraw/zinc/76/06/96/573760696.db2.gz UJLQJYARYQECMY-LBPRGKRZSA-N 0 0 183.276 1.623 10 0 ADAERN C[C@H]1O[C@@]12CCCCC2=O 238505984 573760702 /nfs/dbraw/zinc/76/07/02/573760702.db2.gz FWXROCUBJDIKQX-SVRRBLITSA-N 0 0 140.182 1.287 10 0 ADAERN Cc1cccc([C@@H](O)[C@H]2CO2)c1 238505437 573760709 /nfs/dbraw/zinc/76/07/09/573760709.db2.gz DLENEVRGPWYKBB-NXEZZACHSA-N 0 0 164.204 1.427 10 0 ADAERN C[C@H]1O[C@@]1(CO)C(C)(C)C 238505910 573760713 /nfs/dbraw/zinc/76/07/13/573760713.db2.gz VNDGLBVFBBIJQH-HTRCEHHLSA-N 0 0 144.214 1.182 10 0 ADAERN CC(=O)O[C@H]1CC(C)(C)C=C(C)[C@H]1O 238091049 573760717 /nfs/dbraw/zinc/76/07/17/573760717.db2.gz LVHRAJTXHOSEFL-VHSXEESVSA-N 0 0 198.262 1.655 10 0 ADAERN Cc1cccc(C[S@](C)=O)c1O 238505366 573760718 /nfs/dbraw/zinc/76/07/18/573760718.db2.gz ODPOCCXCMLPTKL-LBPRGKRZSA-N 0 0 184.260 1.579 10 0 ADAERN Cn1nc(C2CCCC2)[nH]c1=O 108332323 573760719 /nfs/dbraw/zinc/76/07/19/573760719.db2.gz JBACZGSZILFTKS-UHFFFAOYSA-N 0 0 167.212 1.178 10 0 ADAERN C[C@]12CCC=C[C@@]1(O)CCC2=O 238505449 573760747 /nfs/dbraw/zinc/76/07/47/573760747.db2.gz OCJSERHJVSQJBB-NXEZZACHSA-N 0 0 166.220 1.437 10 0 ADAERN CC(=O)Nc1cccc(Cl)c1N 238088543 573760784 /nfs/dbraw/zinc/76/07/84/573760784.db2.gz QGJHUKVZJPUSJQ-UHFFFAOYSA-N 0 0 184.626 1.881 10 0 ADAERN O=C1CCN([C@H]2CC=CCC2)C1 84068023 573760811 /nfs/dbraw/zinc/76/08/11/573760811.db2.gz ZXYCYHZOXSHUEL-VIFPVBQESA-N 0 0 165.236 1.370 10 0 ADAERN CCn1cc(C)nc1N(C)C 257869446 573760813 /nfs/dbraw/zinc/76/08/13/573760813.db2.gz HREDXGPTCYWJDE-UHFFFAOYSA-N 0 0 153.229 1.277 10 0 ADAERN C[S@](=O)c1cc(F)c(N)cc1F 238506549 573760820 /nfs/dbraw/zinc/76/08/20/573760820.db2.gz POAAWQGUEGGHRV-LBPRGKRZSA-N 0 0 191.202 1.284 10 0 ADAERN CC(=O)[C@@H]1C(C)=C(C)C[C@@H]1O 238087977 573760825 /nfs/dbraw/zinc/76/08/25/573760825.db2.gz TVCWBUTYTOIZHQ-IUCAKERBSA-N 0 0 154.209 1.293 10 0 ADAERN CCC[C@H]1CN(CCC(C)=O)C(=O)N1 259184963 573760888 /nfs/dbraw/zinc/76/08/88/573760888.db2.gz AJVHFXGIYJFJGN-VIFPVBQESA-N 0 0 198.266 1.159 10 0 ADAERN C[C@@H](O)c1nc2cc(O)ccc2[nH]1 76079503 573760837 /nfs/dbraw/zinc/76/08/37/573760837.db2.gz VLCMJTWJMSGJMZ-RXMQYKEDSA-N 0 0 178.191 1.322 10 0 ADAERN CN(CC(C)(C)O)c1cc[nH]c1 258909358 573760857 /nfs/dbraw/zinc/76/08/57/573760857.db2.gz SOCYCDNMJWKINZ-UHFFFAOYSA-N 0 0 168.240 1.222 10 0 ADAERN Cc1cn(C2=CCCCC2)c(=O)[nH]1 143449264 573760890 /nfs/dbraw/zinc/76/08/90/573760890.db2.gz BEAXYIBNAAZYMO-UHFFFAOYSA-N 0 0 178.235 1.900 10 0 ADAERN Cc1cc(Cl)cc2c1O[C@@H](CO)C2 238506305 573760895 /nfs/dbraw/zinc/76/08/95/573760895.db2.gz UBGQCNMKMJJWSR-SECBINFHSA-N 0 0 198.649 1.944 10 0 ADAERN Nc1cnc(N[C@H]2CC=CCC2)nc1 84066254 573760900 /nfs/dbraw/zinc/76/09/00/573760900.db2.gz GWGRIVPHMKIOES-VIFPVBQESA-N 0 0 190.250 1.579 10 0 ADAERN C[C@]12CCCC(=O)N[C@@H]1CCCC2=O 238506083 573760905 /nfs/dbraw/zinc/76/09/05/573760905.db2.gz KRVSHFCVPIBODB-KCJUWKMLSA-N 0 0 195.262 1.414 10 0 ADAERN OCc1n[nH]cc1C1CCCCC1 257869131 573760917 /nfs/dbraw/zinc/76/09/17/573760917.db2.gz XTNLVEHPBWZFFI-UHFFFAOYSA-N 0 0 180.251 1.950 10 0 ADAERN C[C@H]1CCC[C@@]2(OCCC2=O)O1 238506231 573760940 /nfs/dbraw/zinc/76/09/40/573760940.db2.gz FMDZBNGQBTYLJQ-IONNQARKSA-N 0 0 170.208 1.261 10 0 ADAERN OCCc1nc(-c2ccccc2)no1 258122324 573760944 /nfs/dbraw/zinc/76/09/44/573760944.db2.gz UBLQZDJTNFOEGS-UHFFFAOYSA-N 0 0 190.202 1.271 10 0 ADAERN Nc1cnc(N[C@@H]2CC=CCC2)nc1 84066255 573760962 /nfs/dbraw/zinc/76/09/62/573760962.db2.gz GWGRIVPHMKIOES-SECBINFHSA-N 0 0 190.250 1.579 10 0 ADAERN CC(=O)CCN1CC[C@@H](C)CC1=O 108336298 573760970 /nfs/dbraw/zinc/76/09/70/573760970.db2.gz AOFSLDGFWUFGKB-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1cc(C(F)F)c(F)nc1CO 238506390 573761017 /nfs/dbraw/zinc/76/10/17/573761017.db2.gz FYJDQAFNTZJIEU-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN O=C1C=CC(=O)N1[C@H]1CC=CCC1 84080348 573761031 /nfs/dbraw/zinc/76/10/31/573761031.db2.gz GNMCFAYALUEREE-QMMMGPOBSA-N 0 0 177.203 1.020 10 0 ADAERN CC(=O)Nc1cccc(Cl)c1CO 238088502 573763534 /nfs/dbraw/zinc/76/35/34/573763534.db2.gz AMRSDCSNAYTBCW-UHFFFAOYSA-N 0 0 199.637 1.791 10 0 ADAERN OCCS[C@@H]1CCCCC[C@H]1O 84082631 573761048 /nfs/dbraw/zinc/76/10/48/573761048.db2.gz SOXJOAYZNCETOP-RKDXNWHRSA-N 0 0 190.308 1.406 10 0 ADAERN CC(=O)O[C@H]1C(=O)c2ccccc21 238089302 573761081 /nfs/dbraw/zinc/76/10/81/573761081.db2.gz YXJGZGRZKCQHDD-SNVBAGLBSA-N 0 0 176.171 1.487 10 0 ADAERN C[C@H]1CCCc2cnc(CO)n21 258423940 573761088 /nfs/dbraw/zinc/76/10/88/573761088.db2.gz CESKSOMIZQDEOC-ZETCQYMHSA-N 0 0 166.224 1.273 10 0 ADAERN COC[C@]1(O)CCc2c(O)cccc21 257870231 573761094 /nfs/dbraw/zinc/76/10/94/573761094.db2.gz STORQKZWEDEJNT-LLVKDONJSA-N 0 0 194.230 1.172 10 0 ADAERN O=C1CCN([C@@H]2CC=CCC2)C1 84068022 573761096 /nfs/dbraw/zinc/76/10/96/573761096.db2.gz ZXYCYHZOXSHUEL-SECBINFHSA-N 0 0 165.236 1.370 10 0 ADAERN Cc1ccc(/S(C)=N\C(N)=O)cc1 238087981 573761113 /nfs/dbraw/zinc/76/11/13/573761113.db2.gz JLVSGPDLBQGAMV-UHFFFAOYSA-N 0 0 196.275 1.864 10 0 ADAERN CCSCCc1cccnc1N 131127144 573761116 /nfs/dbraw/zinc/76/11/16/573761116.db2.gz ZQMSTOWTBKGRFV-UHFFFAOYSA-N 0 0 182.292 1.959 10 0 ADAERN O=Cc1nc2cc(O)ccc2[nH]1 76080850 573761123 /nfs/dbraw/zinc/76/11/23/573761123.db2.gz IVJXUTZTYDEZKX-UHFFFAOYSA-N 0 0 162.148 1.081 10 0 ADAERN c1nc2c(s1)C1(CC1)CNC2 238089295 573761138 /nfs/dbraw/zinc/76/11/38/573761138.db2.gz OPXUZKSAUSWKPU-UHFFFAOYSA-N 0 0 166.249 1.278 10 0 ADAERN O[C@@H]1CC[C@H]2N=C(C3CC3)S[C@H]2C1 258121300 573761141 /nfs/dbraw/zinc/76/11/41/573761141.db2.gz WGUXWUYYPIOHEZ-HLTSFMKQSA-N 0 0 197.303 1.824 10 0 ADAERN CC(=O)O[C@@H]1/C=C/C[C@@H](O)/C=C/C1 238089458 573761188 /nfs/dbraw/zinc/76/11/88/573761188.db2.gz PPUVEZOPXMDEAP-BMCZRVFASA-N 0 0 182.219 1.185 10 0 ADAERN Cc1ccc2c(c1)NC=CC(=O)N2 238507777 573763545 /nfs/dbraw/zinc/76/35/45/573763545.db2.gz YRMBHANHRHRRTP-UHFFFAOYSA-N 0 0 174.203 1.873 10 0 ADAERN CSC[C@H](CO)[C@@H]1CCSC1 258123239 573761197 /nfs/dbraw/zinc/76/11/97/573761197.db2.gz LMEMEUAIJLHFAQ-SFYZADRCSA-N 0 0 192.349 1.711 10 0 ADAERN CC1=CC(=O)N([C@@H]2CC=CCC2)C1=O 84080352 573761218 /nfs/dbraw/zinc/76/12/18/573761218.db2.gz BMZKUIMCGWGPDP-SECBINFHSA-N 0 0 191.230 1.410 10 0 ADAERN C[C@H]1CC(=O)CC(C)(C)O1 143468865 573761395 /nfs/dbraw/zinc/76/13/95/573761395.db2.gz HSRJXEIQYNDIAZ-LURJTMIESA-N 0 0 142.198 1.533 10 0 ADAERN CCCOc1ccc(C(N)=S)nc1 122546484 573761279 /nfs/dbraw/zinc/76/12/79/573761279.db2.gz MZJZRQGUTJBRCS-UHFFFAOYSA-N 0 0 196.275 1.505 10 0 ADAERN CSC[C@@H](CO)c1ccccn1 258123007 573761297 /nfs/dbraw/zinc/76/12/97/573761297.db2.gz LKRAWTRIJIAAMF-MRVPVSSYSA-N 0 0 183.276 1.521 10 0 ADAERN CCc1c(CNO)cc(F)cc1OC 258121359 573761317 /nfs/dbraw/zinc/76/13/17/573761317.db2.gz MDSLQDONEUXEMR-UHFFFAOYSA-N 0 0 199.225 1.876 10 0 ADAERN CCCOCCCN1CCC(=O)CC1 131007197 573761359 /nfs/dbraw/zinc/76/13/59/573761359.db2.gz ILTHCZYBCKWNMQ-UHFFFAOYSA-N 0 0 199.294 1.468 10 0 ADAERN CC(=O)c1nccc(C(C)C)n1 108332045 573761369 /nfs/dbraw/zinc/76/13/69/573761369.db2.gz DTOZAIQKFKDDQD-UHFFFAOYSA-N 0 0 164.208 1.803 10 0 ADAERN CC[C@@H](O)c1ccnc(C)n1 122557944 573761371 /nfs/dbraw/zinc/76/13/71/573761371.db2.gz TZMGEJPNNYWDFS-MRVPVSSYSA-N 0 0 152.197 1.228 10 0 ADAERN NOCc1ccc2sccc2c1O 258121277 573761381 /nfs/dbraw/zinc/76/13/81/573761381.db2.gz QSTDWFVZTAECMS-UHFFFAOYSA-N 0 0 195.243 1.997 10 0 ADAERN N#CN[C@H]1CC=CCC1 84067985 573761386 /nfs/dbraw/zinc/76/13/86/573761386.db2.gz KOURHNPKEPQRDS-ZETCQYMHSA-N 0 0 122.171 1.166 10 0 ADAERN CC(=O)Nc1cccc(C)cc1=O 238088280 573761425 /nfs/dbraw/zinc/76/14/25/573761425.db2.gz QIXHKJZRYDRRLG-UHFFFAOYSA-N 0 0 177.203 1.314 10 0 ADAERN CC(=O)[C@H]1C[C@@H]2CCCCN2O1 238091394 573763563 /nfs/dbraw/zinc/76/35/63/573763563.db2.gz LCZMMAANLNXIGC-DTWKUNHWSA-N 0 0 169.224 1.134 10 0 ADAERN CN1C(=O)Cc2cc(O)c(F)cc21 257868524 573761448 /nfs/dbraw/zinc/76/14/48/573761448.db2.gz DRUNUOBVUACYEQ-UHFFFAOYSA-N 0 0 181.166 1.050 10 0 ADAERN CC(=O)CC1(NC(C)=O)CCCCC1 238088471 573761456 /nfs/dbraw/zinc/76/14/56/573761456.db2.gz YGDUOHUOXHMQFI-UHFFFAOYSA-N 0 0 197.278 1.805 10 0 ADAERN CC/C=C/C(C)(C)CO 143456264 573761480 /nfs/dbraw/zinc/76/14/80/573761480.db2.gz QISXNMZEQJKGHE-AATRIKPKSA-N 0 0 128.215 1.971 10 0 ADAERN c1nc(NCC2CC2)c2[nH]ccc2n1 238090264 573761496 /nfs/dbraw/zinc/76/14/96/573761496.db2.gz CZZBMFOTNXDLKR-UHFFFAOYSA-N 0 0 188.234 1.780 10 0 ADAERN CC(=O)CC(C)(C)SC(N)=S 238086850 573761520 /nfs/dbraw/zinc/76/15/20/573761520.db2.gz OJLOXVHZQXHZIF-UHFFFAOYSA-N 0 0 191.321 1.721 10 0 ADAERN C[N@@H+]1CCC(C(C)(C)C)=C(C(=O)[O-])C1 257869112 573761522 /nfs/dbraw/zinc/76/15/22/573761522.db2.gz SSTXWLNRKBXLCJ-UHFFFAOYSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1nc(/C=C(/F)CO)cs1 143457592 573761531 /nfs/dbraw/zinc/76/15/31/573761531.db2.gz WKAOPSKQKLNWMU-QHHAFSJGSA-N 0 0 173.212 1.754 10 0 ADAERN C[C@@H]([NH+]1CCCCC1)C(C)(C)C(=O)[O-] 258123652 573761538 /nfs/dbraw/zinc/76/15/38/573761538.db2.gz PQODUUMKZDJATI-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ccc2nc(=S)[nH]c(N)c2n1 238508106 573761548 /nfs/dbraw/zinc/76/15/48/573761548.db2.gz HMGNYAAXYRPLER-UHFFFAOYSA-N 0 0 192.247 1.578 10 0 ADAERN C[C@@H](O)c1ccsc1C=O 143453851 573761569 /nfs/dbraw/zinc/76/15/69/573761569.db2.gz ABSSRLRXHDWFRI-RXMQYKEDSA-N 0 0 156.206 1.614 10 0 ADAERN CCc1conc1Br 257869082 573761572 /nfs/dbraw/zinc/76/15/72/573761572.db2.gz XRUQHBZZYPXLKB-UHFFFAOYSA-N 0 0 176.013 2.000 10 0 ADAERN COC(=O)c1c(O)ccc2c1CCN2 257870298 573761579 /nfs/dbraw/zinc/76/15/79/573761579.db2.gz SVXBFNIMJREHIV-UHFFFAOYSA-N 0 0 193.202 1.147 10 0 ADAERN CC1CCC(C(=O)N(C)C)CC1 98197518 573761591 /nfs/dbraw/zinc/76/15/91/573761591.db2.gz TWRFLRNLSPTWBN-UHFFFAOYSA-N 0 0 169.268 1.901 10 0 ADAERN CC(=O)NCC[C@H]1CCCCCC1=O 238091443 573761596 /nfs/dbraw/zinc/76/15/96/573761596.db2.gz PIMUXOHZWFTOGK-SNVBAGLBSA-N 0 0 197.278 1.662 10 0 ADAERN CC(C)(C)Cn1cc(C2([NH3+])CC2)nn1 238087118 573761612 /nfs/dbraw/zinc/76/16/12/573761612.db2.gz BATHLZZJKBAPDS-UHFFFAOYSA-N 0 0 194.282 1.272 10 0 ADAERN CC(=O)[C@H]1CC2CC1C2 257869156 573761620 /nfs/dbraw/zinc/76/16/20/573761620.db2.gz XUWFWMJYFZTTSN-KAVNDROISA-N 0 0 124.183 1.622 10 0 ADAERN CCC[C@@H]1CN(CCC(C)=O)C(=O)N1 259184960 573761624 /nfs/dbraw/zinc/76/16/24/573761624.db2.gz AJVHFXGIYJFJGN-SECBINFHSA-N 0 0 198.266 1.159 10 0 ADAERN CC1=CC(=O)N([C@H]2CC=CCC2)C1=O 84080351 573761628 /nfs/dbraw/zinc/76/16/28/573761628.db2.gz BMZKUIMCGWGPDP-VIFPVBQESA-N 0 0 191.230 1.410 10 0 ADAERN CN1CCCC[C@H]1c1coc(CN)n1 258121744 573761631 /nfs/dbraw/zinc/76/16/31/573761631.db2.gz PMSIYYBRUZDUBO-VIFPVBQESA-N 0 0 195.266 1.290 10 0 ADAERN O=C1NC=C[C@H]2[C@@H]1CC2(Cl)Cl 238506712 573761638 /nfs/dbraw/zinc/76/16/38/573761638.db2.gz WWGJTSHVBWZJIN-WHFBIAKZSA-N 0 0 192.045 1.440 10 0 ADAERN C/S(=N/C(N)=O)c1ccccc1 238088062 573761704 /nfs/dbraw/zinc/76/17/04/573761704.db2.gz MADXRYLYLUFDGQ-UHFFFAOYSA-N 0 0 182.248 1.556 10 0 ADAERN CC(C)SCc1c(N)cnn1C 257868598 573761736 /nfs/dbraw/zinc/76/17/36/573761736.db2.gz DTYMZMIPXPAPLG-UHFFFAOYSA-N 0 0 185.296 1.644 10 0 ADAERN CC(=O)[C@H]1O[C@H]1c1cccc(O)c1 238087137 573761737 /nfs/dbraw/zinc/76/17/37/573761737.db2.gz NVYRRUDHCFTLRV-ZJUUUORDSA-N 0 0 178.187 1.421 10 0 ADAERN CC(=O)Nc1cccc(NO)c1 238088864 573761761 /nfs/dbraw/zinc/76/17/61/573761761.db2.gz IVCYFNLPMHZHEV-UHFFFAOYSA-N 0 0 166.180 1.446 10 0 ADAERN CC(=O)c1ccc(=O)n(CC(C)C)c1 257869034 573761767 /nfs/dbraw/zinc/76/17/67/573761767.db2.gz SQOBHRJGXWZILK-UHFFFAOYSA-N 0 0 193.246 1.707 10 0 ADAERN C[C@]12CCCC(=O)[C@H]1CC2=O 238506709 573761794 /nfs/dbraw/zinc/76/17/94/573761794.db2.gz WRWIIYSOZISCBT-MUWHJKNJSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1cc2cc(N)cc(O)c2[nH]1 238507972 573761805 /nfs/dbraw/zinc/76/18/05/573761805.db2.gz LOFPMRXTGCPOSC-UHFFFAOYSA-N 0 0 162.192 1.764 10 0 ADAERN Cc1c(N)ccc2c1CCC(=O)N2 257868490 573761809 /nfs/dbraw/zinc/76/18/09/573761809.db2.gz DQMRQZJHYUIGQE-UHFFFAOYSA-N 0 0 176.219 1.462 10 0 ADAERN CC(C)n1cnc2c1CCC[C@H]2O 76088099 573761826 /nfs/dbraw/zinc/76/18/26/573761826.db2.gz OTSQAKULTWRXEK-SECBINFHSA-N 0 0 180.251 1.834 10 0 ADAERN CC(C)(C)[C@H]1CCCC(=O)[C@@H]1O 238090117 573761838 /nfs/dbraw/zinc/76/18/38/573761838.db2.gz NQFSJUWVMICSTF-IONNQARKSA-N 0 0 170.252 1.763 10 0 ADAERN CC[C@H](C[NH2+]CCC1CCC1)C(=O)[O-] 258930522 573761848 /nfs/dbraw/zinc/76/18/48/573761848.db2.gz HTPQUTYACCVINR-SNVBAGLBSA-N 0 0 199.294 1.877 10 0 ADAERN Cc1cnc(S(=O)(=O)C(C)C)o1 257869657 573761853 /nfs/dbraw/zinc/76/18/53/573761853.db2.gz HWRNOJBCBMTXNN-UHFFFAOYSA-N 0 0 189.236 1.165 10 0 ADAERN CC[C@@H](O)c1ncccc1F 122553426 573761855 /nfs/dbraw/zinc/76/18/55/573761855.db2.gz DQBOXZYPHKJSSY-SSDOTTSWSA-N 0 0 155.172 1.664 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C[C@@H]1C(C)(C)C 257869026 573761862 /nfs/dbraw/zinc/76/18/62/573761862.db2.gz SPXZUDCKVLLTAP-SECBINFHSA-N 0 0 197.278 1.748 10 0 ADAERN C[C@]12CCCC=C1OC(=O)C2=O 238507625 573761871 /nfs/dbraw/zinc/76/18/71/573761871.db2.gz PTVJPMJPICXSSY-VIFPVBQESA-N 0 0 166.176 1.186 10 0 ADAERN CC(C(N)=O)=C1CCCCC1 238087945 573761883 /nfs/dbraw/zinc/76/18/83/573761883.db2.gz AJAHZLJDKUTSFR-UHFFFAOYSA-N 0 0 153.225 1.752 10 0 ADAERN C[N@@H+]1CCC[C@@H](C[C@@H](F)C(=O)[O-])C1 257870321 573761904 /nfs/dbraw/zinc/76/19/04/573761904.db2.gz SWZSFPRACBWTKK-JGVFFNPUSA-N 0 0 189.230 1.141 10 0 ADAERN Cc1cnc(C(F)F)c(N)c1N 238508202 573761910 /nfs/dbraw/zinc/76/19/10/573761910.db2.gz JUNAZEVJTVJWNA-UHFFFAOYSA-N 0 0 173.166 1.492 10 0 ADAERN C[C@H](O)[C@H]1Cc2c(F)cccc2O1 258123367 573761917 /nfs/dbraw/zinc/76/19/17/573761917.db2.gz JQWMRTOFTTWSKJ-QUBYGPBYSA-N 0 0 182.194 1.510 10 0 ADAERN C[C@H](O)c1nc2c(F)c(F)ccc2[nH]1 76079508 573761933 /nfs/dbraw/zinc/76/19/33/573761933.db2.gz NOKOURSZRQLJPD-BYPYZUCNSA-N 0 0 198.172 1.894 10 0 ADAERN C1=CC[C@@H](Nc2ccncn2)CC1 84080472 573761953 /nfs/dbraw/zinc/76/19/53/573761953.db2.gz GKBRBTPHFWUGMD-SECBINFHSA-N 0 0 175.235 1.997 10 0 ADAERN C[C@H](O)c1nc2cccc(F)c2n1C 76079548 573761978 /nfs/dbraw/zinc/76/19/78/573761978.db2.gz QIGVDONPCWRAFW-LURJTMIESA-N 0 0 194.209 1.766 10 0 ADAERN OC[C@H](F)c1ccc(O)cc1F 257869171 573761991 /nfs/dbraw/zinc/76/19/91/573761991.db2.gz XWTYBULWWVYYMR-QMMMGPOBSA-N 0 0 174.146 1.534 10 0 ADAERN COCCCc1nc([C@@H](C)CO)co1 258122330 573762005 /nfs/dbraw/zinc/76/20/05/573762005.db2.gz UBNWKXIZNPKQQW-QMMMGPOBSA-N 0 0 199.250 1.349 10 0 ADAERN CC(=O)CN1C[C@H](C(C)C)CC1=O 108336333 573762014 /nfs/dbraw/zinc/76/20/14/573762014.db2.gz RCWHKMWNBYEYDX-SECBINFHSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)c1nc2c(o1)C[C@@H](O)CC2 258123865 573762019 /nfs/dbraw/zinc/76/20/19/573762019.db2.gz WKAPSXFEVJSVDM-ZETCQYMHSA-N 0 0 181.235 1.648 10 0 ADAERN Oc1ccc2c(c1)N[C@H]1C[C@@H]21 257869603 573762025 /nfs/dbraw/zinc/76/20/25/573762025.db2.gz DXISBRYELNKNJC-CBAPKCEASA-N 0 0 147.177 1.674 10 0 ADAERN CC(=O)O[C@H]1C(C)=CC[C@H](O)C1(C)C 238089384 573762052 /nfs/dbraw/zinc/76/20/52/573762052.db2.gz RILLWZNHACTFAX-UWVGGRQHSA-N 0 0 198.262 1.655 10 0 ADAERN C[C@]12CCCC(=O)[C@H]1CC[C@@H]2O 238506772 573762055 /nfs/dbraw/zinc/76/20/55/573762055.db2.gz FKMAXYXDRSOIBS-JEZHCXPESA-N 0 0 168.236 1.517 10 0 ADAERN CSC[C@@H](CO)[C@@H]1CCSC1 258123234 573762061 /nfs/dbraw/zinc/76/20/61/573762061.db2.gz LMEMEUAIJLHFAQ-HTQZYQBOSA-N 0 0 192.349 1.711 10 0 ADAERN CC(C)(C)Cn1cc(CO)cn1 238086873 573762065 /nfs/dbraw/zinc/76/20/65/573762065.db2.gz OWXXERMJPOTDPX-UHFFFAOYSA-N 0 0 168.240 1.422 10 0 ADAERN CSCc1ccc(O)cc1O 257868878 573762069 /nfs/dbraw/zinc/76/20/69/573762069.db2.gz ACPVPYKMAWIYMR-UHFFFAOYSA-N 0 0 170.233 1.961 10 0 ADAERN O=C1C[C@@H](O)CCN1C1CCCCC1 259184556 573762078 /nfs/dbraw/zinc/76/20/78/573762078.db2.gz BHHQGQIQWHEGJE-JTQLQIEISA-N 0 0 197.278 1.302 10 0 ADAERN Cc1c(O)ccc2c1CCC(=O)N2 257869577 573762092 /nfs/dbraw/zinc/76/20/92/573762092.db2.gz DWNLQIZAXQYNGC-UHFFFAOYSA-N 0 0 177.203 1.585 10 0 ADAERN O=Cc1cc2nccc(Cl)n2n1 238507699 573762140 /nfs/dbraw/zinc/76/21/40/573762140.db2.gz YYUAIEQCXAYYJX-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN O=c1[nH][nH]c(=S)n1[C@@H]1CC=CCC1 84080606 573762154 /nfs/dbraw/zinc/76/21/54/573762154.db2.gz OHFQPCMVZYOTPM-ZCFIWIBFSA-N 0 0 197.263 1.515 10 0 ADAERN CC(C)(C)[N@@H+]1CCc2c(N)n[nH]c2C1 257869025 573762186 /nfs/dbraw/zinc/76/21/86/573762186.db2.gz SPWJPUNCBFWGAX-UHFFFAOYSA-N 0 0 194.282 1.149 10 0 ADAERN Cc1ccc2c(c1)NC=C[C@H]2O 238506722 573762188 /nfs/dbraw/zinc/76/21/88/573762188.db2.gz NRPLDOAEXJSOGG-SNVBAGLBSA-N 0 0 161.204 1.968 10 0 ADAERN CC(=O)O[C@H]1C(C)=CC[C@@H](O)C1(C)C 238089352 573762190 /nfs/dbraw/zinc/76/21/90/573762190.db2.gz RILLWZNHACTFAX-ZJUUUORDSA-N 0 0 198.262 1.655 10 0 ADAERN Cc1cccc2c1N[C@@](C)(CO)C2 258123376 573762194 /nfs/dbraw/zinc/76/21/94/573762194.db2.gz JQYHIZPSLVEDMP-LLVKDONJSA-N 0 0 177.247 1.714 10 0 ADAERN CC(=O)CCN1CCC(C)(C)C1=O 108336337 573762215 /nfs/dbraw/zinc/76/22/15/573762215.db2.gz OTRPXCHTMNHZOQ-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1cc([C@@H](N)C(F)F)ccc1O 238507434 573762248 /nfs/dbraw/zinc/76/22/48/573762248.db2.gz FUFOTXQPDXWCRJ-MRVPVSSYSA-N 0 0 187.189 1.966 10 0 ADAERN CC(=O)NCC[C@@H]1CCCCCC1=O 238091158 573762255 /nfs/dbraw/zinc/76/22/55/573762255.db2.gz PIMUXOHZWFTOGK-JTQLQIEISA-N 0 0 197.278 1.662 10 0 ADAERN C[C@]12CCCC=C1C(=O)NC(=O)C2 238507303 573762266 /nfs/dbraw/zinc/76/22/66/573762266.db2.gz SWVOTCSAEYBCJW-SNVBAGLBSA-N 0 0 179.219 1.150 10 0 ADAERN C[C@@]1(c2noc(N)n2)CCCSC1 258123678 573762273 /nfs/dbraw/zinc/76/22/73/573762273.db2.gz PRTOYEFFDSNWAG-MRVPVSSYSA-N 0 0 199.279 1.437 10 0 ADAERN CNOCCCC1CCOCC1 258123210 573762294 /nfs/dbraw/zinc/76/22/94/573762294.db2.gz ZQYSFNOIFLZYRG-UHFFFAOYSA-N 0 0 173.256 1.344 10 0 ADAERN O=Cc1ccnn1[C@@H]1CCCSC1 257869046 573762311 /nfs/dbraw/zinc/76/23/11/573762311.db2.gz SRDIYVIIRRHMGS-SECBINFHSA-N 0 0 196.275 1.764 10 0 ADAERN CC(=O)Cc1nc(CC(C)C)c[nH]1 259184447 573762329 /nfs/dbraw/zinc/76/23/29/573762329.db2.gz WJDSBEUTXJRQKF-UHFFFAOYSA-N 0 0 180.251 1.740 10 0 ADAERN CCc1nc([C@H](C)O)co1 258122574 573762332 /nfs/dbraw/zinc/76/23/32/573762332.db2.gz ORAJKQSIFPNYLZ-YFKPBYRVSA-N 0 0 141.170 1.290 10 0 ADAERN CC[C@@H](C)ONC(=O)c1ccc[nH]1 393589601 573762362 /nfs/dbraw/zinc/76/23/62/573762362.db2.gz KRXOIFPHXBTEGH-SSDOTTSWSA-N 0 0 182.223 1.475 10 0 ADAERN CC(=O)NCC[C@@H]1CCCCC1=O 238091115 573762382 /nfs/dbraw/zinc/76/23/82/573762382.db2.gz SMMKBUBTUKECBG-VIFPVBQESA-N 0 0 183.251 1.272 10 0 ADAERN CC1(C)CCN(CCCCCO)C1=O 308709307 573762392 /nfs/dbraw/zinc/76/23/92/573762392.db2.gz XVRYCYYZTGGFNK-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN Cc1nc2c(n1C)CCC[C@@H]2O 76089564 573762397 /nfs/dbraw/zinc/76/23/97/573762397.db2.gz MLLGHUXCKZZONI-QMMMGPOBSA-N 0 0 166.224 1.098 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@H]([C@@H](C)O)C2 143457604 573762399 /nfs/dbraw/zinc/76/23/99/573762399.db2.gz ZJFLBQMMVNLFKH-PSASIEDQSA-N 0 0 190.242 1.731 10 0 ADAERN CC(=O)Nc1cccc(C(C)=O)c1N 238087970 573762433 /nfs/dbraw/zinc/76/24/33/573762433.db2.gz KNOGCCORYSDOKJ-UHFFFAOYSA-N 0 0 192.218 1.430 10 0 ADAERN CCC/C=C\CNC=O 79205409 573762442 /nfs/dbraw/zinc/76/24/42/573762442.db2.gz CUBZPHRFBVKZDV-PLNGDYQASA-N 0 0 127.187 1.089 10 0 ADAERN C[C@@H](O)C(F)(F)c1cccc(O)c1 257870229 573762501 /nfs/dbraw/zinc/76/25/01/573762501.db2.gz STHUZQCOYXFTFU-ZCFIWIBFSA-N 0 0 188.173 1.865 10 0 ADAERN O[C@@H]1CC[C@H]2N=C(C3CC3)S[C@@H]2C1 258121302 573762511 /nfs/dbraw/zinc/76/25/11/573762511.db2.gz WGUXWUYYPIOHEZ-IWSPIJDZSA-N 0 0 197.303 1.824 10 0 ADAERN C[C@@H](O)CCCN1CCC(C)(C)C1=O 308709927 573762550 /nfs/dbraw/zinc/76/25/50/573762550.db2.gz YDKAZWVFDMNQSZ-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN Cc1cc2cc(N)cc(N)c2[nH]1 238507946 573762616 /nfs/dbraw/zinc/76/26/16/573762616.db2.gz NZHVQYNPXPDJRV-UHFFFAOYSA-N 0 0 161.208 1.641 10 0 ADAERN CC(C)(C)Cn1cc(C2([NH3+])CC2)cn1 238087078 573762622 /nfs/dbraw/zinc/76/26/22/573762622.db2.gz PCUZOSFZINCSGQ-UHFFFAOYSA-N 0 0 193.294 1.877 10 0 ADAERN Cc1cc(NCc2c[nH]cn2)ncn1 84081339 573762629 /nfs/dbraw/zinc/76/26/29/573762629.db2.gz FZLDYDVDLGJINH-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN O=Cc1nc2cccnc2n1C1CC1 76080891 573762635 /nfs/dbraw/zinc/76/26/35/573762635.db2.gz NAOBNFUHWWZEEW-UHFFFAOYSA-N 0 0 187.202 1.579 10 0 ADAERN OCCCn1ccc2c[nH+]ccc21 258122543 573762645 /nfs/dbraw/zinc/76/26/45/573762645.db2.gz MQOSMZMYGGDOEI-UHFFFAOYSA-N 0 0 176.219 1.419 10 0 ADAERN CC1(C)CN(C(C)(C)C)C(=S)N1 238089876 573762691 /nfs/dbraw/zinc/76/26/91/573762691.db2.gz HMHWQVHDSFHRBI-UHFFFAOYSA-N 0 0 186.324 1.754 10 0 ADAERN CC(=O)c1ncc2cccc(O)c2n1 143469600 573762693 /nfs/dbraw/zinc/76/26/93/573762693.db2.gz UWAVXJGZBNYRBA-UHFFFAOYSA-N 0 0 188.186 1.538 10 0 ADAERN C[C@H](O)c1nc2cc(O)ccc2[nH]1 76079502 573762751 /nfs/dbraw/zinc/76/27/51/573762751.db2.gz VLCMJTWJMSGJMZ-YFKPBYRVSA-N 0 0 178.191 1.322 10 0 ADAERN CC(=O)[C@H]1CCc2occc2C1 238090899 573762763 /nfs/dbraw/zinc/76/27/63/573762763.db2.gz PPMGLGOJHQATLF-QMMMGPOBSA-N 0 0 164.204 1.974 10 0 ADAERN C[C@@H]1CC(=O)CC(C)(C)O1 143468660 573762767 /nfs/dbraw/zinc/76/27/67/573762767.db2.gz HSRJXEIQYNDIAZ-ZCFIWIBFSA-N 0 0 142.198 1.533 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@H]([C@@H](C)O)C2 143457378 573762776 /nfs/dbraw/zinc/76/27/76/573762776.db2.gz ZJFLBQMMVNLFKH-SCZZXKLOSA-N 0 0 190.242 1.731 10 0 ADAERN Cc1cccc(C)c(=O)c1O 238507358 573763340 /nfs/dbraw/zinc/76/33/40/573763340.db2.gz XWUQRGGMMROJDR-UHFFFAOYSA-N 0 0 150.177 1.369 10 0 ADAERN COc1c(CO)cccc1C(C)(C)O 258123925 573762834 /nfs/dbraw/zinc/76/28/34/573762834.db2.gz QVZRHDAUCNIJHU-UHFFFAOYSA-N 0 0 196.246 1.415 10 0 ADAERN O=C1NC=C[C@@H]2[C@@H]1CC2(Cl)Cl 238506731 573762868 /nfs/dbraw/zinc/76/28/68/573762868.db2.gz WWGJTSHVBWZJIN-CRCLSJGQSA-N 0 0 192.045 1.440 10 0 ADAERN O=C([O-])C1(C[NH2+]C2CCC2)CCC1 258930527 573762909 /nfs/dbraw/zinc/76/29/09/573762909.db2.gz HTQZARNNOHWQKQ-UHFFFAOYSA-N 0 0 183.251 1.383 10 0 ADAERN COCc1cn(C)c2cc(N)ccc12 258122026 573762938 /nfs/dbraw/zinc/76/29/38/573762938.db2.gz UGQDRWIQVGIRKS-UHFFFAOYSA-N 0 0 190.246 1.907 10 0 ADAERN C[C@]12CCCCC[C@@H]1NC(=O)O2 238508365 573762941 /nfs/dbraw/zinc/76/29/41/573762941.db2.gz MDICRNQKKULYCV-CBAPKCEASA-N 0 0 169.224 1.818 10 0 ADAERN CC(=O)[C@H]1O[C@H]1c1cccnc1 238087170 573762948 /nfs/dbraw/zinc/76/29/48/573762948.db2.gz DULHZBWJOARVSE-BDAKNGLRSA-N 0 0 163.176 1.111 10 0 ADAERN COc1cnccc1SC 143436640 573762986 /nfs/dbraw/zinc/76/29/86/573762986.db2.gz DIPOPTPEKHLFRP-UHFFFAOYSA-N 0 0 155.222 1.812 10 0 ADAERN C1=CC[C@H](Nc2ccncn2)CC1 84080471 573762999 /nfs/dbraw/zinc/76/29/99/573762999.db2.gz GKBRBTPHFWUGMD-VIFPVBQESA-N 0 0 175.235 1.997 10 0 ADAERN COc1c(CNO)ccc(C)c1F 258123883 573763000 /nfs/dbraw/zinc/76/30/00/573763000.db2.gz QVFUYTCOEYTCMN-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN Cc1nc2c(n1C)CCC[C@H]2O 76089566 573763005 /nfs/dbraw/zinc/76/30/05/573763005.db2.gz MLLGHUXCKZZONI-MRVPVSSYSA-N 0 0 166.224 1.098 10 0 ADAERN CC1=NC(=C2CCCCC2)C(=O)N1 238507968 573763035 /nfs/dbraw/zinc/76/30/35/573763035.db2.gz YNEBIZWUEVTRFU-UHFFFAOYSA-N 0 0 178.235 1.753 10 0 ADAERN C[C@@]12C=C[C@]3(CCCC(=O)[C@@H]3C1)O2 238507249 573763044 /nfs/dbraw/zinc/76/30/44/573763044.db2.gz GRPFWQMTXJQAMN-GDPRMGEGSA-N 0 0 178.231 1.843 10 0 ADAERN CSc1nc(C2CC2)nn1C 108332899 573763047 /nfs/dbraw/zinc/76/30/47/573763047.db2.gz MHCQDYGQVVAIDX-UHFFFAOYSA-N 0 0 169.253 1.414 10 0 ADAERN COC(=O)[C@H](O)c1ccccc1CF 258121251 573763075 /nfs/dbraw/zinc/76/30/75/573763075.db2.gz QRKHUGAIMWUDAQ-SECBINFHSA-N 0 0 198.193 1.363 10 0 ADAERN O[C@H]1CC[C@H](c2cccnc2F)C1 143469975 573763079 /nfs/dbraw/zinc/76/30/79/573763079.db2.gz AOVYOEKRBKNKIE-YUMQZZPRSA-N 0 0 181.210 1.849 10 0 ADAERN C[C@@]1(CCCO)CCCC1=O 143467789 573763103 /nfs/dbraw/zinc/76/31/03/573763103.db2.gz FFLXXWHFHRRNCR-VIFPVBQESA-N 0 0 156.225 1.518 10 0 ADAERN CC(C)[C@@H]1C[C@H](C(=O)[O-])C[N@@H+]1C 108333693 573763107 /nfs/dbraw/zinc/76/31/07/573763107.db2.gz WETMXSFCXJRJLX-YUMQZZPRSA-N 0 0 171.240 1.047 10 0 ADAERN Cc1cnc(C(F)F)c(N)c1 238507738 573763123 /nfs/dbraw/zinc/76/31/23/573763123.db2.gz ZLXXLGGZZCQDFL-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CC(C)(C)[C@H]1CCC[C@@H](O)C1=O 238091223 573763125 /nfs/dbraw/zinc/76/31/25/573763125.db2.gz LMZVXSSZRZKPQY-JGVFFNPUSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@]1(CCCO)CCCC1=O 143468004 573763135 /nfs/dbraw/zinc/76/31/35/573763135.db2.gz FFLXXWHFHRRNCR-SECBINFHSA-N 0 0 156.225 1.518 10 0 ADAERN O=C([O-])[C@@H](C[NH+]1CCCC1)C1CC1 258125761 573766884 /nfs/dbraw/zinc/76/68/84/573766884.db2.gz GCZNUXRZJBIMGV-VIFPVBQESA-N 0 0 183.251 1.193 10 0 ADAERN CC(=O)CC1=C[C@H](O)CCC1 238089381 573763144 /nfs/dbraw/zinc/76/31/44/573763144.db2.gz PYXIKYFUJKOWMV-SECBINFHSA-N 0 0 154.209 1.437 10 0 ADAERN OCC[C@H]1Cc2cc(F)ccc2N1 258122791 573763182 /nfs/dbraw/zinc/76/31/82/573763182.db2.gz PFZLDKKNFFOSQE-VIFPVBQESA-N 0 0 181.210 1.545 10 0 ADAERN CC1(C)NC(=O)N(C(C)(C)C)N1 238091128 573763215 /nfs/dbraw/zinc/76/32/15/573763215.db2.gz HDYCCDLBXKXQET-UHFFFAOYSA-N 0 0 171.244 1.051 10 0 ADAERN C[C@H](O)[C@@H]1Cc2c(F)cccc2O1 258123368 573763490 /nfs/dbraw/zinc/76/34/90/573763490.db2.gz JQWMRTOFTTWSKJ-WKEGUHRASA-N 0 0 182.194 1.510 10 0 ADAERN Nc1cnc(Oc2ccc(O)cc2)o1 257868389 573763229 /nfs/dbraw/zinc/76/32/29/573763229.db2.gz HNZNNLWTEJGGIK-UHFFFAOYSA-N 0 0 192.174 1.755 10 0 ADAERN CC(C)(C)[C@H]1CCCC(=O)[C@H]1O 238090152 573763262 /nfs/dbraw/zinc/76/32/62/573763262.db2.gz NQFSJUWVMICSTF-CBAPKCEASA-N 0 0 170.252 1.763 10 0 ADAERN COC(=O)C[C@H]1CCC[C@H]1F 259566220 573763270 /nfs/dbraw/zinc/76/32/70/573763270.db2.gz CQFZPIAAHIFLII-RNFRBKRXSA-N 0 0 160.188 1.688 10 0 ADAERN CN(CO)Cc1ccccc1F 258919518 573763290 /nfs/dbraw/zinc/76/32/90/573763290.db2.gz NHGZYBSOSVPFOM-UHFFFAOYSA-N 0 0 169.199 1.207 10 0 ADAERN CC(=O)[C@@H]1C(C)=C(C)C[C@H]1O 238088800 573763301 /nfs/dbraw/zinc/76/33/01/573763301.db2.gz TVCWBUTYTOIZHQ-BDAKNGLRSA-N 0 0 154.209 1.293 10 0 ADAERN CC1(O)CC([NH3+])(c2cccc(F)c2)C1 258121876 573763344 /nfs/dbraw/zinc/76/33/44/573763344.db2.gz POUICRWKWVUPBY-UHFFFAOYSA-N 0 0 195.237 1.525 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@H]([C@H](C)O)C2 143457792 573763349 /nfs/dbraw/zinc/76/33/49/573763349.db2.gz ZJFLBQMMVNLFKH-WPRPVWTQSA-N 0 0 190.242 1.731 10 0 ADAERN O=Cc1nc2c(F)c(F)ccc2[nH]1 76080856 573763351 /nfs/dbraw/zinc/76/33/51/573763351.db2.gz WMRWMNZVHKGEFK-UHFFFAOYSA-N 0 0 182.129 1.654 10 0 ADAERN CC(=O)[C@H]1O[C@]1(C)C(C)(C)C 238087196 573763356 /nfs/dbraw/zinc/76/33/56/573763356.db2.gz ZJPBXZOLLWVNAY-APPZFPTMSA-N 0 0 156.225 1.779 10 0 ADAERN COCCCC[C@H]1CSCC1=O 130984758 573763359 /nfs/dbraw/zinc/76/33/59/573763359.db2.gz ZOIDFNPJSYBAFI-QMMMGPOBSA-N 0 0 188.292 1.735 10 0 ADAERN CC(=O)[C@H]1[C@H]2CC[C@@H]1C(=O)C2 238088851 573763361 /nfs/dbraw/zinc/76/33/61/573763361.db2.gz ORUXFRWQRXEXGF-OOZYFLPDSA-N 0 0 152.193 1.191 10 0 ADAERN O=C1C=CC(=O)N1[C@@H]1CC=CCC1 84080347 573763368 /nfs/dbraw/zinc/76/33/68/573763368.db2.gz GNMCFAYALUEREE-MRVPVSSYSA-N 0 0 177.203 1.020 10 0 ADAERN O=C([O-])CC(F)(F)[C@@H]1CCC[NH2+]C1 257869041 573763373 /nfs/dbraw/zinc/76/33/73/573763373.db2.gz SQYVNZKIFCNCJL-ZCFIWIBFSA-N 0 0 193.193 1.096 10 0 ADAERN Nc1occc1C(=O)NC1CCC1 257868550 573763381 /nfs/dbraw/zinc/76/33/81/573763381.db2.gz DSNVYNWNBVYRQY-UHFFFAOYSA-N 0 0 180.207 1.144 10 0 ADAERN Clc1ccnc2c1COCCN2 238507397 573763382 /nfs/dbraw/zinc/76/33/82/573763382.db2.gz ZWWYCTGAZMZNJX-UHFFFAOYSA-N 0 0 184.626 1.677 10 0 ADAERN O=Cc1n[nH]c(C2CCCC2)n1 108332070 573763386 /nfs/dbraw/zinc/76/33/86/573763386.db2.gz LXARXWKEAPQNNN-UHFFFAOYSA-N 0 0 165.196 1.275 10 0 ADAERN Nc1ccccc1[C@@]1(O)CCSC1 257869066 573763401 /nfs/dbraw/zinc/76/34/01/573763401.db2.gz SRLQLXCWMJODFD-SNVBAGLBSA-N 0 0 195.287 1.593 10 0 ADAERN CC(=O)c1n[nH]c(C2CCC2)n1 108332076 573763404 /nfs/dbraw/zinc/76/34/04/573763404.db2.gz DBVDXOVQNCGWSU-UHFFFAOYSA-N 0 0 165.196 1.275 10 0 ADAERN C[S@](=O)c1ccnc2cc[nH]c12 238507990 573763424 /nfs/dbraw/zinc/76/34/24/573763424.db2.gz JUPJKJDCGYDLPJ-LBPRGKRZSA-N 0 0 180.232 1.300 10 0 ADAERN CC(C)(C)Cn1ccc(=O)cc1 238086915 573763427 /nfs/dbraw/zinc/76/34/27/573763427.db2.gz KOMDUWDEZHHNDL-UHFFFAOYSA-N 0 0 165.236 1.894 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@H]([C@H](C)O)C2 143457987 573763428 /nfs/dbraw/zinc/76/34/28/573763428.db2.gz ZJFLBQMMVNLFKH-WCBMZHEXSA-N 0 0 190.242 1.731 10 0 ADAERN Cc1nc2nc(Cl)ccc2c(=O)[nH]1 238508102 573763505 /nfs/dbraw/zinc/76/35/05/573763505.db2.gz JXDWQRBRIHSYQT-UHFFFAOYSA-N 0 0 195.609 1.280 10 0 ADAERN Cc1c[nH]c(C(F)F)c(N)c1=O 238508249 573763470 /nfs/dbraw/zinc/76/34/70/573763470.db2.gz ROALMECHXSVTAE-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CCNc1cncc(O)c1 122553133 573763475 /nfs/dbraw/zinc/76/34/75/573763475.db2.gz CIWWAHPZYGVING-UHFFFAOYSA-N 0 0 138.170 1.219 10 0 ADAERN CC(C)(C)[C@H]1CC[C@@H](O)[C@@H](C(N)=O)C1 238093115 573766896 /nfs/dbraw/zinc/76/68/96/573766896.db2.gz KFGOBJVPBNPYTO-XHNCKOQMSA-N 0 0 199.294 1.295 10 0 ADAERN C[S@](=O)c1cnc2[nH]ccc2c1 238509784 573766927 /nfs/dbraw/zinc/76/69/27/573766927.db2.gz IRLPXNXSSSHJGZ-LBPRGKRZSA-N 0 0 180.232 1.300 10 0 ADAERN CC(=O)CCC1(C)OCCCO1 238093318 573766929 /nfs/dbraw/zinc/76/69/29/573766929.db2.gz GEOOCWMIOLJCLJ-UHFFFAOYSA-N 0 0 172.224 1.509 10 0 ADAERN Cc1cc([C@@H](N)C(F)(F)F)c[nH]1 238507045 573764386 /nfs/dbraw/zinc/76/43/86/573764386.db2.gz VMSYQQONEMQZET-ZCFIWIBFSA-N 0 0 178.157 1.885 10 0 ADAERN CC(C)(C)N1C=CCC(C(N)=O)=C1 238089623 573764395 /nfs/dbraw/zinc/76/43/95/573764395.db2.gz YSBJSYXCEJKUDW-UHFFFAOYSA-N 0 0 180.251 1.374 10 0 ADAERN CC[C@@H](O)c1ncc(C)cn1 122553690 573764403 /nfs/dbraw/zinc/76/44/03/573764403.db2.gz VZRAJFIBNHOXQB-SSDOTTSWSA-N 0 0 152.197 1.228 10 0 ADAERN C=COC(C)(C)CC(C)=O 238086734 573764416 /nfs/dbraw/zinc/76/44/16/573764416.db2.gz HKSWTRMCUORWIB-UHFFFAOYSA-N 0 0 142.198 1.904 10 0 ADAERN CC(C)c1nc2c(o1)C[C@H](O)CC2 258123863 573764433 /nfs/dbraw/zinc/76/44/33/573764433.db2.gz WKAPSXFEVJSVDM-SSDOTTSWSA-N 0 0 181.235 1.648 10 0 ADAERN Cc1[nH+]c(C(=O)[O-])c2ccc(F)cn12 238508245 573764437 /nfs/dbraw/zinc/76/44/37/573764437.db2.gz SMCZRQYUEMCOHK-UHFFFAOYSA-N 0 0 194.165 1.480 10 0 ADAERN c1nc(OCC2CC2)c2[nH]ccc2n1 238090557 573764483 /nfs/dbraw/zinc/76/44/83/573764483.db2.gz KEDGOSBWEYTUPN-UHFFFAOYSA-N 0 0 189.218 1.747 10 0 ADAERN CN1CCCC[C@@H]1c1coc(CN)n1 258121740 573764488 /nfs/dbraw/zinc/76/44/88/573764488.db2.gz PMSIYYBRUZDUBO-SECBINFHSA-N 0 0 195.266 1.290 10 0 ADAERN CC(=O)CC1=C[C@@H](O)CCC1 238089348 573764529 /nfs/dbraw/zinc/76/45/29/573764529.db2.gz PYXIKYFUJKOWMV-VIFPVBQESA-N 0 0 154.209 1.437 10 0 ADAERN CC(=O)CC1=NCC(C)(C)O1 238089427 573764589 /nfs/dbraw/zinc/76/45/89/573764589.db2.gz YRHSVCCRFDGQRS-UHFFFAOYSA-N 0 0 155.197 1.173 10 0 ADAERN Cc1c(N)cccc1NC/C=C\CO 717554764 573767082 /nfs/dbraw/zinc/76/70/82/573767082.db2.gz XBUPIAXZQUFVIJ-IHWYPQMZSA-N 0 0 192.262 1.538 10 0 ADAERN CC(=O)[C@H]1CC(c2ccco2)=NO1 238089145 573764605 /nfs/dbraw/zinc/76/46/05/573764605.db2.gz MSJOSQWTDNBODB-SECBINFHSA-N 0 0 179.175 1.362 10 0 ADAERN COc1cc(F)c(O)cc1C1(O)CC1 258123749 573764608 /nfs/dbraw/zinc/76/46/08/573764608.db2.gz QTLYROWRMCRKBW-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN CC(=O)[C@H]1O[C@@H]1c1cccc(O)c1 238086856 573764614 /nfs/dbraw/zinc/76/46/14/573764614.db2.gz NVYRRUDHCFTLRV-NXEZZACHSA-N 0 0 178.187 1.421 10 0 ADAERN C[C@@H](O)[C@H]1Cc2c(F)cccc2O1 258123366 573764624 /nfs/dbraw/zinc/76/46/24/573764624.db2.gz JQWMRTOFTTWSKJ-LHLIQPBNSA-N 0 0 182.194 1.510 10 0 ADAERN CCc1cc(C)c(CC(=O)OC)[nH]1 259566249 573764626 /nfs/dbraw/zinc/76/46/26/573764626.db2.gz IUBZESRNLGTVMI-UHFFFAOYSA-N 0 0 181.235 1.601 10 0 ADAERN CCSC(=O)c1ccn(CC)c1N 257868628 573764655 /nfs/dbraw/zinc/76/46/55/573764655.db2.gz DVDXYWWDQXGFRG-UHFFFAOYSA-N 0 0 198.291 1.984 10 0 ADAERN COC(=O)C[C@H]1CCC[C@@H]1F 259566231 573764676 /nfs/dbraw/zinc/76/46/76/573764676.db2.gz CQFZPIAAHIFLII-RQJHMYQMSA-N 0 0 160.188 1.688 10 0 ADAERN C1C2CC3CC1CC(C1NNN1)(C2)C3 238088517 573764685 /nfs/dbraw/zinc/76/46/85/573764685.db2.gz INKWNKOXZOPDRH-UHFFFAOYSA-N 0 0 193.294 1.141 10 0 ADAERN CC1(CNCc2ncon2)CCCC1 308709641 573764686 /nfs/dbraw/zinc/76/46/86/573764686.db2.gz YAEBABPBPPEIAR-UHFFFAOYSA-N 0 0 195.266 1.740 10 0 ADAERN C[N@@H+]1CCC[C@H](C[C@@H](F)C(=O)[O-])C1 257870320 573764691 /nfs/dbraw/zinc/76/46/91/573764691.db2.gz SWZSFPRACBWTKK-HTQZYQBOSA-N 0 0 189.230 1.141 10 0 ADAERN Cc1ccc(N)c([C@@H]2CNC(=O)C2)c1 238507375 573764726 /nfs/dbraw/zinc/76/47/26/573764726.db2.gz MCMHZGPREDQHMS-QMMMGPOBSA-N 0 0 190.246 1.181 10 0 ADAERN C[C@@]12Nc3ccccc3N1O2 238507930 573764734 /nfs/dbraw/zinc/76/47/34/573764734.db2.gz IGIWPCHEEYZTLL-HNHGDDPOSA-N 0 0 148.165 1.537 10 0 ADAERN Nc1cc2nc[nH]c2c(C2CCC2)n1 257869070 573764737 /nfs/dbraw/zinc/76/47/37/573764737.db2.gz SRRCBYHNSWCIJQ-UHFFFAOYSA-N 0 0 188.234 1.808 10 0 ADAERN COC(=O)[C@@H](O)c1ccccc1CF 258121253 573764751 /nfs/dbraw/zinc/76/47/51/573764751.db2.gz QRKHUGAIMWUDAQ-VIFPVBQESA-N 0 0 198.193 1.363 10 0 ADAERN Cc1ccc2c(c1Cl)C(=O)O[C@H]2O 238506971 573764763 /nfs/dbraw/zinc/76/47/63/573764763.db2.gz FPFVISMNGYJPQO-MRVPVSSYSA-N 0 0 198.605 1.810 10 0 ADAERN C[N@@H+]1CCC[C@H](C[C@H](F)C(=O)[O-])C1 257870323 573764765 /nfs/dbraw/zinc/76/47/65/573764765.db2.gz SWZSFPRACBWTKK-SFYZADRCSA-N 0 0 189.230 1.141 10 0 ADAERN CC[C@@H](O)c1ccncc1C 122554513 573764777 /nfs/dbraw/zinc/76/47/77/573764777.db2.gz CBJKVMMMENSICK-SECBINFHSA-N 0 0 151.209 1.833 10 0 ADAERN CC(=O)Nc1cccc2snnc12 238092976 573766356 /nfs/dbraw/zinc/76/63/56/573766356.db2.gz RPRODGJQLNRBBN-UHFFFAOYSA-N 0 0 193.231 1.650 10 0 ADAERN CC(C)(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2C(=O)[O-] 259184921 573764779 /nfs/dbraw/zinc/76/47/79/573764779.db2.gz IKVJFMYLOBWBLK-BRPSZJMVSA-N 0 0 197.278 1.295 10 0 ADAERN Cc1ccc2[nH]c(=O)[nH]c2c1Cl 238507327 573764782 /nfs/dbraw/zinc/76/47/82/573764782.db2.gz QPRRBPRNZDSSDE-UHFFFAOYSA-N 0 0 182.610 1.818 10 0 ADAERN CN(CCC1CCCC1)C(=O)CO 258931085 573764789 /nfs/dbraw/zinc/76/47/89/573764789.db2.gz VJYPKKZJIDFRHY-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN CC(=O)[C@H]1OCC1(C)C 238086418 573764794 /nfs/dbraw/zinc/76/47/94/573764794.db2.gz WDEVZUZYLNJTJK-ZCFIWIBFSA-N 0 0 128.171 1.000 10 0 ADAERN OCC(F)(F)c1ccc(O)cc1F 257869166 573764828 /nfs/dbraw/zinc/76/48/28/573764828.db2.gz XWBZTMIIJPOYIY-UHFFFAOYSA-N 0 0 192.136 1.615 10 0 ADAERN Cc1ccc(N)c([C@H]2CNC(=O)C2)c1 238507862 573764837 /nfs/dbraw/zinc/76/48/37/573764837.db2.gz MCMHZGPREDQHMS-MRVPVSSYSA-N 0 0 190.246 1.181 10 0 ADAERN CC(C)OCc1ccc(O)cc1N 257868950 573764849 /nfs/dbraw/zinc/76/48/49/573764849.db2.gz AFUPFTUMRXPKSL-UHFFFAOYSA-N 0 0 181.235 1.899 10 0 ADAERN C[C@H](CO)c1ccc2nnsc2c1 258123896 573764868 /nfs/dbraw/zinc/76/48/68/573764868.db2.gz QVLLZSWECVXSHU-ZCFIWIBFSA-N 0 0 194.259 1.787 10 0 ADAERN OCCC1(c2cccs2)COC1 258931107 573764884 /nfs/dbraw/zinc/76/48/84/573764884.db2.gz XIJJTPTZLHESQL-UHFFFAOYSA-N 0 0 184.260 1.399 10 0 ADAERN CCn1ncc(C(=O)OC(C)C)c1N 257869717 573764887 /nfs/dbraw/zinc/76/48/87/573764887.db2.gz FAIKEVDLLJKMTE-UHFFFAOYSA-N 0 0 197.238 1.050 10 0 ADAERN C[C@@](F)(CO)c1ccc(O)cc1F 257869055 573764895 /nfs/dbraw/zinc/76/48/95/573764895.db2.gz XQZOBBMKSWBVHR-SECBINFHSA-N 0 0 188.173 1.708 10 0 ADAERN CC[C@H](C)ONC(=O)c1ccc[nH]1 393589602 573764901 /nfs/dbraw/zinc/76/49/01/573764901.db2.gz KRXOIFPHXBTEGH-ZETCQYMHSA-N 0 0 182.223 1.475 10 0 ADAERN C[C@H](O)C(F)(F)c1cccc(O)c1 257870228 573764923 /nfs/dbraw/zinc/76/49/23/573764923.db2.gz STHUZQCOYXFTFU-LURJTMIESA-N 0 0 188.173 1.865 10 0 ADAERN CN(CC(C)(C)O)c1cccnc1 258931106 573764961 /nfs/dbraw/zinc/76/49/61/573764961.db2.gz VKGIOQVOGLOEOF-UHFFFAOYSA-N 0 0 180.251 1.289 10 0 ADAERN CSCc1nc(C)co1 257868375 573764969 /nfs/dbraw/zinc/76/49/69/573764969.db2.gz HNMLRPXPADVRKJ-UHFFFAOYSA-N 0 0 143.211 1.846 10 0 ADAERN COc1ccc([C@](C)(F)CO)cc1 257871910 573767000 /nfs/dbraw/zinc/76/70/00/573767000.db2.gz YLQWIMQLDNZGHV-SNVBAGLBSA-N 0 0 184.210 1.872 10 0 ADAERN Nc1coc(N2CCCCCC2)n1 257868278 573765030 /nfs/dbraw/zinc/76/50/30/573765030.db2.gz HJVVLJSPJSMFNT-UHFFFAOYSA-N 0 0 181.239 1.637 10 0 ADAERN CC(=O)[C@H]1CCc2ccoc2C1 238090817 573765105 /nfs/dbraw/zinc/76/51/05/573765105.db2.gz IFCOOVJDUYWJSB-VIFPVBQESA-N 0 0 164.204 1.974 10 0 ADAERN Cc1ccc(C)c(NC(CO)CO)c1 258920370 573765118 /nfs/dbraw/zinc/76/51/18/573765118.db2.gz IONYMXRCMNLTBQ-UHFFFAOYSA-N 0 0 195.262 1.069 10 0 ADAERN CC(C)(C)n1nncc1Cl 259620331 573765122 /nfs/dbraw/zinc/76/51/22/573765122.db2.gz FFDSIVINZALICI-UHFFFAOYSA-N 0 0 159.620 1.687 10 0 ADAERN Cc1ccc(CC2(O)CC2)o1 257872694 573767007 /nfs/dbraw/zinc/76/70/07/573767007.db2.gz ALXCSNXCWCLSRL-UHFFFAOYSA-N 0 0 152.193 1.655 10 0 ADAERN CC(C)(C)C(=O)[C@@H](O)c1ccco1 258931192 573765134 /nfs/dbraw/zinc/76/51/34/573765134.db2.gz XJOMEUZDOOMQNT-QMMMGPOBSA-N 0 0 182.219 1.928 10 0 ADAERN CC(C)(C)C(=O)[C@H](O)c1ccco1 258931189 573765188 /nfs/dbraw/zinc/76/51/88/573765188.db2.gz XJOMEUZDOOMQNT-MRVPVSSYSA-N 0 0 182.219 1.928 10 0 ADAERN O[C@H]1CC[C@@H](c2cccnc2F)C1 143470366 573765194 /nfs/dbraw/zinc/76/51/94/573765194.db2.gz AOVYOEKRBKNKIE-SFYZADRCSA-N 0 0 181.210 1.849 10 0 ADAERN CC(C)(C)OC(=O)N1C(=O)N[C@H]2C[C@H]21 238087150 573765234 /nfs/dbraw/zinc/76/52/34/573765234.db2.gz KPSAPNQYLQBNLM-NTSWFWBYSA-N 0 0 198.222 1.088 10 0 ADAERN CC(C)[C@@H](CO)Nc1cccnc1 258931003 573765243 /nfs/dbraw/zinc/76/52/43/573765243.db2.gz VIUQWJZSTICACV-SNVBAGLBSA-N 0 0 180.251 1.510 10 0 ADAERN CC1(C(=O)[O-])C[NH+](C(C)(C)C)C1 238089773 573765244 /nfs/dbraw/zinc/76/52/44/573765244.db2.gz ATOKKCDWHFWCFT-UHFFFAOYSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H](CO)c1ccc2nnsc2c1 258123893 573765247 /nfs/dbraw/zinc/76/52/47/573765247.db2.gz QVLLZSWECVXSHU-LURJTMIESA-N 0 0 194.259 1.787 10 0 ADAERN Cc1ccc2[nH]c(=O)[nH]c2c1F 238507344 573765251 /nfs/dbraw/zinc/76/52/51/573765251.db2.gz YCZRXOUXDJXGLC-UHFFFAOYSA-N 0 0 166.155 1.304 10 0 ADAERN CN(CO)c1coc2ccccc12 258921030 573765263 /nfs/dbraw/zinc/76/52/63/573765263.db2.gz NPVMYXFFTOSASX-UHFFFAOYSA-N 0 0 177.203 1.819 10 0 ADAERN C[C@H](O)CCCN1CCC(C)(C)C1=O 308709929 573765271 /nfs/dbraw/zinc/76/52/71/573765271.db2.gz YDKAZWVFDMNQSZ-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN O=C([O-])c1coc(C[NH2+]C2CCC2)n1 257868317 573765308 /nfs/dbraw/zinc/76/53/08/573765308.db2.gz HLESHEFSSPTGLU-UHFFFAOYSA-N 0 0 196.206 1.015 10 0 ADAERN CC1=C[C@@H](C)O[C@H](CO)C1 238507641 573765309 /nfs/dbraw/zinc/76/53/09/573765309.db2.gz UMRQMLZTQVTHDA-SFYZADRCSA-N 0 0 142.198 1.102 10 0 ADAERN COc1ccc(F)c(F)c1CON 258121254 573765310 /nfs/dbraw/zinc/76/53/10/573765310.db2.gz QRMLGBQQYXMSTG-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN CC(=O)[C@@H]1CC2CC1C2 257869157 573765320 /nfs/dbraw/zinc/76/53/20/573765320.db2.gz XUWFWMJYFZTTSN-RRQHEKLDSA-N 0 0 124.183 1.622 10 0 ADAERN Nc1cnc(Cl)cc1N1CCCC1 258121759 573765322 /nfs/dbraw/zinc/76/53/22/573765322.db2.gz PMYLWSSRUHDETL-UHFFFAOYSA-N 0 0 197.669 1.917 10 0 ADAERN CCCOCCCN1CCC(=O)C1 131007625 573765335 /nfs/dbraw/zinc/76/53/35/573765335.db2.gz FDMBIQNGJSXLNP-UHFFFAOYSA-N 0 0 185.267 1.078 10 0 ADAERN Cc1nc2c([nH]1)[C@H]([C@H](C)O)CCC2 76089384 573765339 /nfs/dbraw/zinc/76/53/39/573765339.db2.gz SXNFTFKVWWOVFF-XPUUQOCRSA-N 0 0 180.251 1.519 10 0 ADAERN COc1c(C)c(C)cc(C)c1C(N)N 259566280 573765340 /nfs/dbraw/zinc/76/53/40/573765340.db2.gz YHAWHQSONPWFDO-UHFFFAOYSA-N 0 0 194.278 1.536 10 0 ADAERN C[S@](=O)c1ccnc2[nH]ccc12 238507974 573765342 /nfs/dbraw/zinc/76/53/42/573765342.db2.gz GUJHYQLXLKLMLI-LBPRGKRZSA-N 0 0 180.232 1.300 10 0 ADAERN Cc1cc(C(F)F)c(N)c(C=O)n1 238508297 573765348 /nfs/dbraw/zinc/76/53/48/573765348.db2.gz FXOXJAXQMKWKRP-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CCCOCCCNc1ncccn1 131022500 573765355 /nfs/dbraw/zinc/76/53/55/573765355.db2.gz QDEQCMKXHBZJQR-UHFFFAOYSA-N 0 0 195.266 1.705 10 0 ADAERN O=C(N[C@@H]1CC=CCC1)n1ccnc1 84080546 573765356 /nfs/dbraw/zinc/76/53/56/573765356.db2.gz XVOAIAOBDWVWDG-SECBINFHSA-N 0 0 191.234 1.550 10 0 ADAERN C[C@@H]1C=C(c2ccco2)[C@@H](O)O1 238507947 573765359 /nfs/dbraw/zinc/76/53/59/573765359.db2.gz OSZFVLFACJOSOK-MUWHJKNJSA-N 0 0 166.176 1.400 10 0 ADAERN CCN1C(=O)Cc2c(N)cccc21 258122701 573765370 /nfs/dbraw/zinc/76/53/70/573765370.db2.gz PFBHQUOWIXYRDE-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN O=C1C[C@@H](c2ncccc2Cl)CN1 238506752 573765374 /nfs/dbraw/zinc/76/53/74/573765374.db2.gz UTJYLXCTYZBJQS-ZCFIWIBFSA-N 0 0 196.637 1.339 10 0 ADAERN Nc1ccc2cc(CO)sc2c1 258122005 573765384 /nfs/dbraw/zinc/76/53/84/573765384.db2.gz UGGKOMWDTXLQJN-UHFFFAOYSA-N 0 0 179.244 1.976 10 0 ADAERN C[C@@]1(c2nnc(N)s2)CCCCO1 258123655 573765390 /nfs/dbraw/zinc/76/53/90/573765390.db2.gz PQPKLEXTEDPKGL-QMMMGPOBSA-N 0 0 199.279 1.536 10 0 ADAERN C[C@H]1O[C@H](C)[C@@H](O)c2c(O)cccc21 238507902 573765405 /nfs/dbraw/zinc/76/54/05/573765405.db2.gz WJEMXZJNOVYMDR-OPVBNTEQSA-N 0 0 194.230 1.905 10 0 ADAERN C[C@@H]1Oc2c[nH]cc2O[C@@H]1C 238509224 573766857 /nfs/dbraw/zinc/76/68/57/573766857.db2.gz YOSHGJDOFPNZLL-OLQVQODUSA-N 0 0 153.181 1.563 10 0 ADAERN Nc1cccc2cc(CO)[nH]c12 257869630 573765418 /nfs/dbraw/zinc/76/54/18/573765418.db2.gz HVZIQKUPCBTYDD-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN C[C@H]1O[C@H](CO)CN1c1ccccc1 238507697 573765431 /nfs/dbraw/zinc/76/54/31/573765431.db2.gz HBBSPVJQTGKYLB-KOLCDFICSA-N 0 0 193.246 1.230 10 0 ADAERN Cc1cc2cc(CNC=O)ccc2[nH]1 238507146 573765464 /nfs/dbraw/zinc/76/54/64/573765464.db2.gz HYDMNIWWPIBPET-UHFFFAOYSA-N 0 0 188.230 1.722 10 0 ADAERN CC(C)(F)c1nnc(CO)s1 642835083 573765474 /nfs/dbraw/zinc/76/54/74/573765474.db2.gz SPWIDFOQFPEMBY-UHFFFAOYSA-N 0 0 176.216 1.235 10 0 ADAERN C[C@@](N)(F)C1CCOCC1 258423894 573765483 /nfs/dbraw/zinc/76/54/83/573765483.db2.gz CDXINELGLPZUKI-ZETCQYMHSA-N 0 0 147.193 1.057 10 0 ADAERN Oc1ccc(F)c(F)c1C1(O)CC1 258123799 573765484 /nfs/dbraw/zinc/76/54/84/573765484.db2.gz QUBCICQRQDQNIA-UHFFFAOYSA-N 0 0 186.157 1.652 10 0 ADAERN Cc1ccc2c(c1C[C@@H](C)O)OCO2 258123876 573765498 /nfs/dbraw/zinc/76/54/98/573765498.db2.gz QVEBZLQOQJTRAB-MRVPVSSYSA-N 0 0 194.230 1.647 10 0 ADAERN Clc1ccn2c1C[NH2+]CC2 238506965 573765502 /nfs/dbraw/zinc/76/55/02/573765502.db2.gz MTIGTLSNYZEZPV-UHFFFAOYSA-N 0 0 156.616 1.245 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2c(F)cccc2O1 258123365 573765518 /nfs/dbraw/zinc/76/55/18/573765518.db2.gz JQWMRTOFTTWSKJ-LDWIPMOCSA-N 0 0 182.194 1.510 10 0 ADAERN Nc1nc(-c2ccccc2C=O)co1 257870238 573765524 /nfs/dbraw/zinc/76/55/24/573765524.db2.gz SUHTTXYWTXOJSZ-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN C[C@@H](CO)CN(C)C(=O)[C@H]1CC1(C)C 688720889 573765541 /nfs/dbraw/zinc/76/55/41/573765541.db2.gz OATCKSHUIRUMOJ-RKDXNWHRSA-N 0 0 199.294 1.119 10 0 ADAERN Cc1cccc2c1N[C@](C)(CO)C2 258123378 573765546 /nfs/dbraw/zinc/76/55/46/573765546.db2.gz JQYHIZPSLVEDMP-NSHDSACASA-N 0 0 177.247 1.714 10 0 ADAERN C[C@H](O)CCN1CC[C@H](C)CC1=O 108338327 573765606 /nfs/dbraw/zinc/76/56/06/573765606.db2.gz GGEHICPQUCUHHE-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@]12CCCC(=O)[C@H]1C[C@@H]2O 238506827 573765613 /nfs/dbraw/zinc/76/56/13/573765613.db2.gz XCSSSHGZSLKAMH-YEPSODPASA-N 0 0 154.209 1.127 10 0 ADAERN CSC[C@H](CO)c1ccccn1 258123011 573765615 /nfs/dbraw/zinc/76/56/15/573765615.db2.gz LKRAWTRIJIAAMF-QMMMGPOBSA-N 0 0 183.276 1.521 10 0 ADAERN Clc1ccnc2c1OCO2 238507441 573765619 /nfs/dbraw/zinc/76/56/19/573765619.db2.gz GKLODDQVVDJEII-UHFFFAOYSA-N 0 0 157.556 1.464 10 0 ADAERN CSC[C@H](CO)[C@H]1CCSC1 258123242 573765620 /nfs/dbraw/zinc/76/56/20/573765620.db2.gz LMEMEUAIJLHFAQ-YUMQZZPRSA-N 0 0 192.349 1.711 10 0 ADAERN CSC[C@@H](CO)[C@H]1CCSC1 258123237 573765625 /nfs/dbraw/zinc/76/56/25/573765625.db2.gz LMEMEUAIJLHFAQ-JGVFFNPUSA-N 0 0 192.349 1.711 10 0 ADAERN CCn1ccc(C(=O)OC(C)C)c1N 257869783 573765633 /nfs/dbraw/zinc/76/56/33/573765633.db2.gz FCSIQHNBXWSENA-UHFFFAOYSA-N 0 0 196.250 1.655 10 0 ADAERN CC(C)c1nc2c(n1N)CCCC2 76095482 573766873 /nfs/dbraw/zinc/76/68/73/573766873.db2.gz ZHEPUZNXXHWVON-UHFFFAOYSA-N 0 0 179.267 1.599 10 0 ADAERN COC(=O)[C@@H]1C[C@H](C)O[C@H](C)C1 259566454 573766875 /nfs/dbraw/zinc/76/68/75/573766875.db2.gz IWFRPXDFULQZTP-JIGDXULJSA-N 0 0 172.224 1.363 10 0 ADAERN OCCCCNc1ccc[nH]1 259178314 573765656 /nfs/dbraw/zinc/76/56/56/573765656.db2.gz YZIIBSYKXGDEQR-UHFFFAOYSA-N 0 0 154.213 1.199 10 0 ADAERN Cc1cc2cc(O)cc(O)c2[nH]1 238508372 573765673 /nfs/dbraw/zinc/76/56/73/573765673.db2.gz IXADVYRUPHIVJS-UHFFFAOYSA-N 0 0 163.176 1.888 10 0 ADAERN CC(=O)c1coc([C@H]2CCCO2)n1 258122751 573765679 /nfs/dbraw/zinc/76/56/79/573765679.db2.gz OTOVOSGONDCVGH-MRVPVSSYSA-N 0 0 181.191 1.729 10 0 ADAERN CCOC(=O)CN[C@H]1CC=CCC1 84067609 573765682 /nfs/dbraw/zinc/76/56/82/573765682.db2.gz SFQSPOZXCOTGNG-VIFPVBQESA-N 0 0 183.251 1.248 10 0 ADAERN Nc1nocc1C1CCCC1 257869053 573765686 /nfs/dbraw/zinc/76/56/86/573765686.db2.gz XQWZNBMHJMVEIB-UHFFFAOYSA-N 0 0 152.197 1.914 10 0 ADAERN COc1c(C)cc(CCON)cc1F 258121508 573765688 /nfs/dbraw/zinc/76/56/88/573765688.db2.gz MFPXVVAZAOKTCZ-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN C[C@]12C=CC[C@@H]3CO[C@@](C)(C1=O)[C@@H]32 238508215 573765691 /nfs/dbraw/zinc/76/56/91/573765691.db2.gz ZXNNIRMSDUFETL-JZSSXWJLSA-N 0 0 178.231 1.557 10 0 ADAERN C[C@H]([NH+]1CCCCC1)C(C)(C)C(=O)[O-] 258123653 573765693 /nfs/dbraw/zinc/76/56/93/573765693.db2.gz PQODUUMKZDJATI-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)c1coc([C@@H]2CCCO2)n1 258122754 573765699 /nfs/dbraw/zinc/76/56/99/573765699.db2.gz OTOVOSGONDCVGH-QMMMGPOBSA-N 0 0 181.191 1.729 10 0 ADAERN Cc1ccc2c(c1)NC=N[C@H]2O 238506954 573765707 /nfs/dbraw/zinc/76/57/07/573765707.db2.gz ZENXPOIGWOZKAH-VIFPVBQESA-N 0 0 162.192 1.249 10 0 ADAERN COc1cccc([C@@]2(CO)C[C@@H]2C)c1 258926862 573765718 /nfs/dbraw/zinc/76/57/18/573765718.db2.gz AAYSRQBRNDUZOM-JOYOIKCWSA-N 0 0 192.258 1.965 10 0 ADAERN C[C@]12CCCC(=O)[C@]1(C)C(=O)O2 238506955 573765725 /nfs/dbraw/zinc/76/57/25/573765725.db2.gz YVJBVXNMBGAKOD-DTWKUNHWSA-N 0 0 168.192 1.061 10 0 ADAERN CC1=C(C)[C@@H]2C(Cl)=NC=N[C@@H]2N1 100049828 573765728 /nfs/dbraw/zinc/76/57/28/573765728.db2.gz VUOHEKDKTKGLRQ-HTRCEHHLSA-N 0 0 183.642 1.505 10 0 ADAERN C[C@H]1O[C@@H](O)c2ccccc2C1=O 238507125 573765733 /nfs/dbraw/zinc/76/57/33/573765733.db2.gz LDGJHAKWHHBUEY-LHLIQPBNSA-N 0 0 178.187 1.279 10 0 ADAERN COc1cccc([C@]2(CO)C[C@H]2C)c1 258926863 573765736 /nfs/dbraw/zinc/76/57/36/573765736.db2.gz AAYSRQBRNDUZOM-SKDRFNHKSA-N 0 0 192.258 1.965 10 0 ADAERN O=C1CC2(Cl)CC1C2 238507066 573765738 /nfs/dbraw/zinc/76/57/38/573765738.db2.gz PFKAGKWPIZKZLS-UHFFFAOYSA-N 0 0 130.574 1.347 10 0 ADAERN OCC[C@@H](O)c1c(F)cccc1F 143464876 573766881 /nfs/dbraw/zinc/76/68/81/573766881.db2.gz FRUMELBVERTKDI-MRVPVSSYSA-N 0 0 188.173 1.381 10 0 ADAERN Cc1ccc2c(c1)C(=O)C[C@H]2O 238506732 573765760 /nfs/dbraw/zinc/76/57/60/573765760.db2.gz LPEXVOBQIWIDOZ-SECBINFHSA-N 0 0 162.188 1.615 10 0 ADAERN OCCS[C@H]1CCCCC[C@H]1O 84082633 573765771 /nfs/dbraw/zinc/76/57/71/573765771.db2.gz SOXJOAYZNCETOP-BDAKNGLRSA-N 0 0 190.308 1.406 10 0 ADAERN CC(C)(C)[C@H]1CCO[C@H]1O 238092140 573765777 /nfs/dbraw/zinc/76/57/77/573765777.db2.gz OOLMDJYCJPSXPC-NKWVEPMBSA-N 0 0 144.214 1.387 10 0 ADAERN CNc1c(-c2ccc[nH]2)n[nH]c1C 259177584 573767010 /nfs/dbraw/zinc/76/70/10/573767010.db2.gz LWDUPVFHNWNRSR-UHFFFAOYSA-N 0 0 176.223 1.755 10 0 ADAERN N#CN[C@@H]1CC=CCC1 84067984 573765808 /nfs/dbraw/zinc/76/58/08/573765808.db2.gz KOURHNPKEPQRDS-SSDOTTSWSA-N 0 0 122.171 1.166 10 0 ADAERN Nc1cccc(-c2c[nH]cc2N)c1 258122536 573765845 /nfs/dbraw/zinc/76/58/45/573765845.db2.gz MQCXANINMZPIQF-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN CC(=O)CCC1=CCC(=O)O1 238093605 573765846 /nfs/dbraw/zinc/76/58/46/573765846.db2.gz AUQZOJQKTNBOPN-UHFFFAOYSA-N 0 0 154.165 1.186 10 0 ADAERN C[N@H+](C[C@H]1C[C@@H]1C(=O)[O-])CC(C)(C)C 258929391 573765864 /nfs/dbraw/zinc/76/58/64/573765864.db2.gz RMLVECBCQDVVMR-BDAKNGLRSA-N 0 0 199.294 1.685 10 0 ADAERN COc1cc(CNO)cc(C)c1OC 258123978 573765874 /nfs/dbraw/zinc/76/58/74/573765874.db2.gz QWXKZFGJRTXUBG-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN CC(=O)[C@H]1C[C@H]2CCCCN2O1 238092147 573765882 /nfs/dbraw/zinc/76/58/82/573765882.db2.gz LCZMMAANLNXIGC-RKDXNWHRSA-N 0 0 169.224 1.134 10 0 ADAERN Clc1ccncc1O[C@H]1CCOC1 238508274 573765908 /nfs/dbraw/zinc/76/59/08/573765908.db2.gz ASVMHJFETYPOAZ-ZETCQYMHSA-N 0 0 199.637 1.903 10 0 ADAERN CC1=C(C)[C@H]2C(Cl)=NC=N[C@H]2N1 100049825 573765915 /nfs/dbraw/zinc/76/59/15/573765915.db2.gz VUOHEKDKTKGLRQ-XPUUQOCRSA-N 0 0 183.642 1.505 10 0 ADAERN COCCCc1nc([C@H](C)CO)co1 258122327 573765924 /nfs/dbraw/zinc/76/59/24/573765924.db2.gz UBNWKXIZNPKQQW-MRVPVSSYSA-N 0 0 199.250 1.349 10 0 ADAERN Cc1cc2cc(O)ccc2c(=O)o1 238508419 573765948 /nfs/dbraw/zinc/76/59/48/573765948.db2.gz GGGVSHZTOAYGEX-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN C[C@@H]1CCCc2cnc(CO)n21 258423937 573765959 /nfs/dbraw/zinc/76/59/59/573765959.db2.gz CESKSOMIZQDEOC-SSDOTTSWSA-N 0 0 166.224 1.273 10 0 ADAERN OCC1(Cc2cccs2)COC1 259566494 573765960 /nfs/dbraw/zinc/76/59/60/573765960.db2.gz YIJBXHFFIVRAPP-UHFFFAOYSA-N 0 0 184.260 1.300 10 0 ADAERN OCCS[C@@H]1CCCCC[C@@H]1O 84082630 573765968 /nfs/dbraw/zinc/76/59/68/573765968.db2.gz SOXJOAYZNCETOP-DTWKUNHWSA-N 0 0 190.308 1.406 10 0 ADAERN CCc1ncc(CC(C)=O)s1 259177763 573765976 /nfs/dbraw/zinc/76/59/76/573765976.db2.gz JOHTYLJMQOVJLT-UHFFFAOYSA-N 0 0 169.249 1.837 10 0 ADAERN CCc1[nH]c(=O)[nH]c1CC(C)C 258423946 573765986 /nfs/dbraw/zinc/76/59/86/573765986.db2.gz CEWCPLJFXWEMMF-UHFFFAOYSA-N 0 0 168.240 1.876 10 0 ADAERN CC(=O)CCC1=NCC(C)(C)O1 238093957 573766909 /nfs/dbraw/zinc/76/69/09/573766909.db2.gz XLQCUXHXKVWGKN-UHFFFAOYSA-N 0 0 169.224 1.563 10 0 ADAERN c1ccn(Cc2c[nH]cn2)c1 84081479 573766054 /nfs/dbraw/zinc/76/60/54/573766054.db2.gz ZSDOMJDORTZYCL-UHFFFAOYSA-N 0 0 147.181 1.260 10 0 ADAERN O[C@@H]1CCc2c(ncn2C2CC2)C1 76094010 573766080 /nfs/dbraw/zinc/76/60/80/573766080.db2.gz OQRWOTOZDNTAHM-MRVPVSSYSA-N 0 0 178.235 1.068 10 0 ADAERN O=c1[nH][nH]c(=S)n1[C@H]1CC=CCC1 84080607 573766105 /nfs/dbraw/zinc/76/61/05/573766105.db2.gz OHFQPCMVZYOTPM-LURJTMIESA-N 0 0 197.263 1.515 10 0 ADAERN CSCc1ccncc1N 257872079 573766112 /nfs/dbraw/zinc/76/61/12/573766112.db2.gz FJSNKJZEVJLYAY-UHFFFAOYSA-N 0 0 154.238 1.527 10 0 ADAERN C[C@@H](O)CCN1CCC(C)(C)C1=O 108338383 573766134 /nfs/dbraw/zinc/76/61/34/573766134.db2.gz JTKVNNHOMUQOLA-MRVPVSSYSA-N 0 0 185.267 1.016 10 0 ADAERN c1cc(OC2CC2)co1 238093386 573766153 /nfs/dbraw/zinc/76/61/53/573766153.db2.gz GKFXGDOJFVTYKG-UHFFFAOYSA-N 0 0 124.139 1.821 10 0 ADAERN CCCc1nc2n(c1C=O)CCCN2 259177772 573766213 /nfs/dbraw/zinc/76/62/13/573766213.db2.gz LZILXOPWHFRVHV-UHFFFAOYSA-N 0 0 193.250 1.464 10 0 ADAERN CCCN1CCc2oc(N)nc2C1 258927780 573766215 /nfs/dbraw/zinc/76/62/15/573766215.db2.gz XGDQHKURMKFCDV-UHFFFAOYSA-N 0 0 181.239 1.025 10 0 ADAERN CC(C)C[C@H](F)CON 259177346 573766226 /nfs/dbraw/zinc/76/62/26/573766226.db2.gz ICWJDZZJTHFRSX-LURJTMIESA-N 0 0 135.182 1.261 10 0 ADAERN O=C1CCCNN1C1CCCCCC1 257872320 573766263 /nfs/dbraw/zinc/76/62/63/573766263.db2.gz TWEIZVFEQIBWTN-UHFFFAOYSA-N 0 0 196.294 1.836 10 0 ADAERN CC(=O)CCC1=CCCO1 238093745 573766280 /nfs/dbraw/zinc/76/62/80/573766280.db2.gz GDZDGEMUTWKMEG-UHFFFAOYSA-N 0 0 140.182 1.660 10 0 ADAERN Nc1coc(Oc2ccccc2O)n1 257870748 573766309 /nfs/dbraw/zinc/76/63/09/573766309.db2.gz HYBTTZCVQPBTJK-UHFFFAOYSA-N 0 0 192.174 1.755 10 0 ADAERN CCCOCCCNc1ccncn1 131022074 573766317 /nfs/dbraw/zinc/76/63/17/573766317.db2.gz UVIAFJDZCRYPLA-UHFFFAOYSA-N 0 0 195.266 1.705 10 0 ADAERN CCC[C@H](O)c1c(Cl)cnn1C 122564566 573766319 /nfs/dbraw/zinc/76/63/19/573766319.db2.gz VJXKQRYYMDPKHY-ZETCQYMHSA-N 0 0 188.658 1.907 10 0 ADAERN CC1=C(C)[C@@H]2C(Cl)=NC=N[C@H]2N1 100049830 573766320 /nfs/dbraw/zinc/76/63/20/573766320.db2.gz VUOHEKDKTKGLRQ-SVRRBLITSA-N 0 0 183.642 1.505 10 0 ADAERN O=Cc1nc([C@@H]2CCCSC2)no1 257872617 573766345 /nfs/dbraw/zinc/76/63/45/573766345.db2.gz AKGPHQBKYPXBAE-ZCFIWIBFSA-N 0 0 198.247 1.493 10 0 ADAERN CC(C)(C)[C@H]1CCC[C@H](O)C1=O 238091712 573766363 /nfs/dbraw/zinc/76/63/63/573766363.db2.gz LMZVXSSZRZKPQY-YUMQZZPRSA-N 0 0 170.252 1.763 10 0 ADAERN CC(=O)O[C@H]1CCC(=O)C1(C)C 238091784 573767027 /nfs/dbraw/zinc/76/70/27/573767027.db2.gz QHVDMQBKDYEKJA-QMMMGPOBSA-N 0 0 170.208 1.307 10 0 ADAERN CC(C)(C)[C@H]1CC[C@@](O)(CO)CC1 238093934 573766411 /nfs/dbraw/zinc/76/64/11/573766411.db2.gz ONGFMIZRLHYNJA-HOMQSWHASA-N 0 0 186.295 1.946 10 0 ADAERN CC(C)c1c[nH]c(=O)c2c1CCOC2 257870358 573766438 /nfs/dbraw/zinc/76/64/38/573766438.db2.gz SXTLYCPGYPTIAR-UHFFFAOYSA-N 0 0 193.246 1.983 10 0 ADAERN CC[C@@H](O)[C@H]1C[C@H]1C 122560225 573766444 /nfs/dbraw/zinc/76/64/44/573766444.db2.gz BLNMNBHHOXRJRI-DSYKOEDSSA-N 0 0 114.188 1.413 10 0 ADAERN O=c1ccsc2ncccc12 143463442 573766465 /nfs/dbraw/zinc/76/64/65/573766465.db2.gz IRHOWPGFPTVHRJ-UHFFFAOYSA-N 0 0 163.201 1.657 10 0 ADAERN CC1(C)C[C@@]1(CO)c1cc[nH]c1 258926837 573766471 /nfs/dbraw/zinc/76/64/71/573766471.db2.gz AAEOJIYLLPKANO-SNVBAGLBSA-N 0 0 165.236 1.675 10 0 ADAERN C[C@@H](O)CCN1CC[C@@H](C)CC1=O 108338319 573766485 /nfs/dbraw/zinc/76/64/85/573766485.db2.gz GGEHICPQUCUHHE-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN COc1cccc([C@]2(CO)C[C@@H]2C)c1 258926861 573766486 /nfs/dbraw/zinc/76/64/86/573766486.db2.gz AAYSRQBRNDUZOM-CABZTGNLSA-N 0 0 192.258 1.965 10 0 ADAERN CC(C)C[C@@H](F)CON 259177348 573766489 /nfs/dbraw/zinc/76/64/89/573766489.db2.gz ICWJDZZJTHFRSX-ZCFIWIBFSA-N 0 0 135.182 1.261 10 0 ADAERN O=C1CCCN(c2cccc(F)c2)C1 259177973 573766513 /nfs/dbraw/zinc/76/65/13/573766513.db2.gz DIICDBPSUQMNLI-UHFFFAOYSA-N 0 0 193.221 1.995 10 0 ADAERN CC(=O)Nc1ccccc1C(=O)C=O 238093487 573766539 /nfs/dbraw/zinc/76/65/39/573766539.db2.gz YNSZVLDMAPDLCC-UHFFFAOYSA-N 0 0 191.186 1.027 10 0 ADAERN C[N@H+](CCCC(=O)[O-])CCC1CCC1 258929321 573766541 /nfs/dbraw/zinc/76/65/41/573766541.db2.gz RLFUMFWQDZTNFA-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC[C@H](O)[C@@H]1C[C@H]1C 122568723 573766543 /nfs/dbraw/zinc/76/65/43/573766543.db2.gz BLNMNBHHOXRJRI-QYNIQEEDSA-N 0 0 114.188 1.413 10 0 ADAERN CC(=O)Nc1cccc2ccnnc12 238091819 573766558 /nfs/dbraw/zinc/76/65/58/573766558.db2.gz FFRNHYASCFLPOV-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN C[C@@H](O)CCN1CCC(C)(C)CC1=O 108346774 573767034 /nfs/dbraw/zinc/76/70/34/573767034.db2.gz WABSOWRZVRTNJK-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@]12CCCC[C@@H]1CC(=O)NC2=O 238509064 573766587 /nfs/dbraw/zinc/76/65/87/573766587.db2.gz XCPJPRKCKKFGPW-XCBNKYQSSA-N 0 0 181.235 1.229 10 0 ADAERN O=c1[nH]c2c(c3c1COCC3)CCC2 257870364 573766605 /nfs/dbraw/zinc/76/66/05/573766605.db2.gz SXVHGMNRMMOFSU-UHFFFAOYSA-N 0 0 191.230 1.349 10 0 ADAERN CC(=O)Nc1cccc2cncnc12 238091934 573766610 /nfs/dbraw/zinc/76/66/10/573766610.db2.gz DTBZDHUYOSADKL-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN C[C@@H](N(C)C)C(F)(F)F 259177921 573766637 /nfs/dbraw/zinc/76/66/37/573766637.db2.gz MZVVITGXQIKELJ-SCSAIBSYSA-N 0 0 141.136 1.499 10 0 ADAERN C[N@@H+](CC1CCC1)C[C@@H]1C[C@@H]1C(=O)[O-] 258926375 573766646 /nfs/dbraw/zinc/76/66/46/573766646.db2.gz RCHGGSZJDIMYAU-UWVGGRQHSA-N 0 0 197.278 1.439 10 0 ADAERN CO[C@@H](CO)CCc1ccccc1O 257872325 573766653 /nfs/dbraw/zinc/76/66/53/573766653.db2.gz TWELYGCXWKWBNQ-SNVBAGLBSA-N 0 0 196.246 1.332 10 0 ADAERN Cc1ncsc1[C@@H]1CNC(=O)C1 238508455 573766657 /nfs/dbraw/zinc/76/66/57/573766657.db2.gz RZWQMCIYWFLTAP-LURJTMIESA-N 0 0 182.248 1.055 10 0 ADAERN CC(=O)CCC1=NC(C)(C)CO1 238093910 573766661 /nfs/dbraw/zinc/76/66/61/573766661.db2.gz AHLDZDWOEPEKFD-UHFFFAOYSA-N 0 0 169.224 1.563 10 0 ADAERN CN1C[C@H](n2cccc2)CCC1=O 84090761 573766667 /nfs/dbraw/zinc/76/66/67/573766667.db2.gz NNDHIYOTSVDYDM-SECBINFHSA-N 0 0 178.235 1.281 10 0 ADAERN C[C@H]1Oc2c(cccc2N(C)C)[C@@H]1O 238509165 573766675 /nfs/dbraw/zinc/76/66/75/573766675.db2.gz UFZUCSMBEXAZTI-GMSGAONNSA-N 0 0 193.246 1.567 10 0 ADAERN Cc1cc(Cl)ccc(=O)c1O 238508869 573766703 /nfs/dbraw/zinc/76/67/03/573766703.db2.gz OCJNPFWWOKAIKW-UHFFFAOYSA-N 0 0 170.595 1.714 10 0 ADAERN CNCc1ncc(C(F)(F)F)cn1 108340668 573766715 /nfs/dbraw/zinc/76/67/15/573766715.db2.gz YCECWCINSIYBFJ-UHFFFAOYSA-N 0 0 191.156 1.215 10 0 ADAERN Cc1cc(O)ccc1[C@H](F)CO 257870555 573766719 /nfs/dbraw/zinc/76/67/19/573766719.db2.gz YDHUFSIFFILDSP-SECBINFHSA-N 0 0 170.183 1.704 10 0 ADAERN CCC/C=C/C[C@H]([NH3+])CC(=O)[O-] 215363655 573766731 /nfs/dbraw/zinc/76/67/31/573766731.db2.gz FBJHAMGGVKCNEB-ZJELKQJVSA-N 0 0 171.240 1.535 10 0 ADAERN CC[C@H](O)[C@H]1C[C@H]1C 122568947 573766737 /nfs/dbraw/zinc/76/67/37/573766737.db2.gz BLNMNBHHOXRJRI-VQVTYTSYSA-N 0 0 114.188 1.413 10 0 ADAERN CCO[C@@H]1C[C@H]1[C@H](O)c1ccoc1 689891680 573766742 /nfs/dbraw/zinc/76/67/42/573766742.db2.gz QJVTZCSKDRHNGP-OPRDCNLKSA-N 0 0 182.219 1.738 10 0 ADAERN C[C@H](O)Cc1noc(-c2ccco2)n1 257871410 573766746 /nfs/dbraw/zinc/76/67/46/573766746.db2.gz AGCRIAWCPQKYOS-LURJTMIESA-N 0 0 194.190 1.253 10 0 ADAERN c1coc(OC2CC2)c1 238093250 573766763 /nfs/dbraw/zinc/76/67/63/573766763.db2.gz BWWPXMSONPQOGP-UHFFFAOYSA-N 0 0 124.139 1.821 10 0 ADAERN O=C1CNc2c(O)cccc2S1 259177564 573766777 /nfs/dbraw/zinc/76/67/77/573766777.db2.gz JKRFTKUWUBQWFE-UHFFFAOYSA-N 0 0 181.216 1.436 10 0 ADAERN CC(C)(C)N1C(=S)SC[C@@H]1O 238091470 573766785 /nfs/dbraw/zinc/76/67/85/573766785.db2.gz RPPKYVZXIQPYBF-YFKPBYRVSA-N 0 0 191.321 1.437 10 0 ADAERN CSCc1cnc2cccc(N)n12 258422132 573766803 /nfs/dbraw/zinc/76/68/03/573766803.db2.gz CUDUDCGEHQJXLO-UHFFFAOYSA-N 0 0 193.275 1.780 10 0 ADAERN CC(=O)NC[C@@H](F)C(F)(F)F 238093832 573766808 /nfs/dbraw/zinc/76/68/08/573766808.db2.gz ZVLFYBSKKROISY-SCSAIBSYSA-N 0 0 173.109 1.023 10 0 ADAERN O=C1C[C@H](c2cnccc2Cl)CN1 238508626 573766826 /nfs/dbraw/zinc/76/68/26/573766826.db2.gz AWZBTFUCOXHBPP-LURJTMIESA-N 0 0 196.637 1.339 10 0 ADAERN CC(=O)[C@H]1[C@@H]2CCCC(=O)[C@@H]21 238093584 573766836 /nfs/dbraw/zinc/76/68/36/573766836.db2.gz SLMKGZSNFNFDGZ-CNUIFLNQSA-N 0 0 152.193 1.191 10 0 ADAERN O=C1C[C@@H](c2cnccc2Cl)CN1 238508818 573767055 /nfs/dbraw/zinc/76/70/55/573767055.db2.gz AWZBTFUCOXHBPP-ZCFIWIBFSA-N 0 0 196.637 1.339 10 0 ADAERN OCc1nc2ccccn2c1Cl 143464386 573766980 /nfs/dbraw/zinc/76/69/80/573766980.db2.gz VSERDDOYFLARBY-UHFFFAOYSA-N 0 0 182.610 1.480 10 0 ADAERN CC(=O)[C@H]1C[C@@H]2C[C@@H]21 238091708 573767062 /nfs/dbraw/zinc/76/70/62/573767062.db2.gz BIXJPMLZFYZDJE-QYNIQEEDSA-N 0 0 110.156 1.231 10 0 ADAERN Cn1ncc(N)c1C1CCSCC1 257871381 573767067 /nfs/dbraw/zinc/76/70/67/573767067.db2.gz TUMMIJCWMKFSRI-UHFFFAOYSA-N 0 0 197.307 1.613 10 0 ADAERN c1ccn2c(OC3CC3)cnc2c1 238093472 573767098 /nfs/dbraw/zinc/76/70/98/573767098.db2.gz XQIXJHJUNNPJTR-UHFFFAOYSA-N 0 0 174.203 1.876 10 0 ADAERN c1cc2c(C3CC3)[nH]nc2cn1 238096410 573769222 /nfs/dbraw/zinc/76/92/22/573769222.db2.gz JPJBDXFKEHUEEX-UHFFFAOYSA-N 0 0 159.192 1.835 10 0 ADAERN C[C@H]1Oc2c(cccc2N(C)C)[C@H]1O 238509184 573769223 /nfs/dbraw/zinc/76/92/23/573769223.db2.gz UFZUCSMBEXAZTI-XCBNKYQSSA-N 0 0 193.246 1.567 10 0 ADAERN CC(C)[C@@H](O)COc1cccnc1 258125162 573769246 /nfs/dbraw/zinc/76/92/46/573769246.db2.gz LORRGMFKNGCJKW-JTQLQIEISA-N 0 0 181.235 1.477 10 0 ADAERN C=C=CI 100069625 573769273 /nfs/dbraw/zinc/76/92/73/573769273.db2.gz PVSOUHUQNFPYTI-UHFFFAOYSA-N 0 0 165.961 1.720 10 0 ADAERN Cc1cccc(S(=O)(=O)[C@@H](C)N)c1 259177419 573769280 /nfs/dbraw/zinc/76/92/80/573769280.db2.gz IEYFDLPLQQNFHB-QMMMGPOBSA-N 0 0 199.275 1.073 10 0 ADAERN O[C@H]1CCc2c(ncn2C2CC2)C1 76094008 573769285 /nfs/dbraw/zinc/76/92/85/573769285.db2.gz OQRWOTOZDNTAHM-QMMMGPOBSA-N 0 0 178.235 1.068 10 0 ADAERN Cc1cc(OCCO)c(C)cc1CO 238498619 573769288 /nfs/dbraw/zinc/76/92/88/573769288.db2.gz ZPLWDIVJVGUTBQ-UHFFFAOYSA-N 0 0 196.246 1.167 10 0 ADAERN Cc1cccc([C@@H]2CNC(=O)C2)c1F 238510081 573768746 /nfs/dbraw/zinc/76/87/46/573768746.db2.gz ZXHIRFKHPZMGDR-QMMMGPOBSA-N 0 0 193.221 1.738 10 0 ADAERN C[S@](=O)c1cccc2c1NCC2 238509554 573768762 /nfs/dbraw/zinc/76/87/62/573768762.db2.gz MCJGJNCOHMAPPO-LBPRGKRZSA-N 0 0 181.260 1.392 10 0 ADAERN Cc1cccc([C@@H]2CNC(=O)C2)c1O 238510142 573768770 /nfs/dbraw/zinc/76/87/70/573768770.db2.gz JHZWVHNPITWQRY-QMMMGPOBSA-N 0 0 191.230 1.304 10 0 ADAERN O=C1C[C@H]2C=C(Cl)[C@@H](C1)O2 238509350 573768774 /nfs/dbraw/zinc/76/87/74/573768774.db2.gz FIFPKISEKXYKEJ-CAHLUQPWSA-N 0 0 158.584 1.239 10 0 ADAERN CC(C)CC1=N[C@@H]2CC[C@@H](O)C[C@H]2O1 258126124 573768810 /nfs/dbraw/zinc/76/88/10/573768810.db2.gz WLYLDCZXNNZZSN-OPRDCNLKSA-N 0 0 197.278 1.743 10 0 ADAERN CC(C)SCc1snnc1N 257874745 573771969 /nfs/dbraw/zinc/77/19/69/573771969.db2.gz FZGDIJPEWUYFSX-UHFFFAOYSA-N 0 0 189.309 1.762 10 0 ADAERN Cc1nc2ccnn2c(N)c1CF 238508536 573768817 /nfs/dbraw/zinc/76/88/17/573768817.db2.gz POBLVMPNSJABKK-UHFFFAOYSA-N 0 0 180.186 1.089 10 0 ADAERN CC(=O)[C@](C)(CO)c1cc(C)oc1C 238097073 573769193 /nfs/dbraw/zinc/76/91/93/573769193.db2.gz PWXWUFPUUKRQOF-NSHDSACASA-N 0 0 196.246 1.735 10 0 ADAERN CC(C)(C)[C@H]1C[C@H](O)CCC1=O 238097269 573768842 /nfs/dbraw/zinc/76/88/42/573768842.db2.gz DPYVJXMRYQGOED-SFYZADRCSA-N 0 0 170.252 1.763 10 0 ADAERN CN(C)[C@@H](O)c1ccc2c(c1)CCO2 259620659 573768850 /nfs/dbraw/zinc/76/88/50/573768850.db2.gz RDZSLGHBQVSSDJ-NSHDSACASA-N 0 0 193.246 1.174 10 0 ADAERN Cc1c[nH]c(C(F)F)c(O)c1=O 238508855 573768862 /nfs/dbraw/zinc/76/88/62/573768862.db2.gz DWYUEYXDKPKLQP-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN C[C@@]1(c2ccccc2F)CCC(=O)N1 257871428 573768865 /nfs/dbraw/zinc/76/88/65/573768865.db2.gz TWAFVCDHBKBGCL-NSHDSACASA-N 0 0 193.221 1.951 10 0 ADAERN COc1cc2n[nH]cc2cc1C=O 259565426 573768878 /nfs/dbraw/zinc/76/88/78/573768878.db2.gz VSUPSGRFBUAZKD-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)CC1CC1 689989424 573768882 /nfs/dbraw/zinc/76/88/82/573768882.db2.gz MTQCPWZUBQKFKP-CBAPKCEASA-N 0 0 154.209 1.391 10 0 ADAERN CSc1nc(C(C)(C)C)nn1C 108338914 573768904 /nfs/dbraw/zinc/76/89/04/573768904.db2.gz OQGBYYUQCXSNKM-UHFFFAOYSA-N 0 0 185.296 1.835 10 0 ADAERN C[S@](=O)c1ccc2c(c1)NCC2 238508982 573768909 /nfs/dbraw/zinc/76/89/09/573768909.db2.gz ZLEGCLGWBAJWPI-LBPRGKRZSA-N 0 0 181.260 1.392 10 0 ADAERN CC(C)(C)[C@H]1C[C@H](O)C1 238097238 573768925 /nfs/dbraw/zinc/76/89/25/573768925.db2.gz QTUJAHPEPCHIKC-KNVOCYPGSA-N 0 0 128.215 1.803 10 0 ADAERN COC(=O)[C@H](OC(C)C)C1CC1 84089670 573768962 /nfs/dbraw/zinc/76/89/62/573768962.db2.gz ZCFQEHUVKXNPAQ-MRVPVSSYSA-N 0 0 172.224 1.363 10 0 ADAERN CC(C)(CO)Nc1cc[nH]c1 258933568 573768980 /nfs/dbraw/zinc/76/89/80/573768980.db2.gz VNPUMUQBROCJGP-UHFFFAOYSA-N 0 0 154.213 1.198 10 0 ADAERN C[C@@H](O)CN1CCC(C)(C)CC1=O 108338316 573768989 /nfs/dbraw/zinc/76/89/89/573768989.db2.gz NGTXAQUUYRHGDF-MRVPVSSYSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@@](O)(CO)CCc1cccc(O)c1 257871249 573769019 /nfs/dbraw/zinc/76/90/19/573769019.db2.gz SYCZBABYDTUMHH-NSHDSACASA-N 0 0 196.246 1.068 10 0 ADAERN Cc1cc(N)ccc1NC/C=C/CO 717553810 573769024 /nfs/dbraw/zinc/76/90/24/573769024.db2.gz OKBJBGKJRXCMEL-NSCUHMNNSA-N 0 0 192.262 1.538 10 0 ADAERN Cc1cc(C(F)F)c(N)[nH]c1=O 238509160 573769032 /nfs/dbraw/zinc/76/90/32/573769032.db2.gz WLANTOGSQPHTIH-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C[S@](=O)c1ccc2cc[nH]c2n1 238509242 573769040 /nfs/dbraw/zinc/76/90/40/573769040.db2.gz WHYHWAKPJFBMCT-LBPRGKRZSA-N 0 0 180.232 1.300 10 0 ADAERN CC(=O)[C@](C)(N)[C@@H](O)c1ccccc1 238097433 573769043 /nfs/dbraw/zinc/76/90/43/573769043.db2.gz SUPILDJNIZEMLA-QWRGUYRKSA-N 0 0 193.246 1.026 10 0 ADAERN CC(=O)[C@H](C)[C@H]1C[C@@H]1C 238509318 573769059 /nfs/dbraw/zinc/76/90/59/573769059.db2.gz HXYREKKICIATIX-HAFWLYHUSA-N 0 0 126.199 1.868 10 0 ADAERN CC(=O)O[C@H]1CC[C@H](C(C)=O)C1 238096929 573769065 /nfs/dbraw/zinc/76/90/65/573769065.db2.gz MEGBTVULEGPOBS-IUCAKERBSA-N 0 0 170.208 1.307 10 0 ADAERN O=C1NOC[C@@H](c2cccc(O)c2)O1 257872551 573769076 /nfs/dbraw/zinc/76/90/76/573769076.db2.gz TZUUTIKMRYEDCM-QMMMGPOBSA-N 0 0 195.174 1.105 10 0 ADAERN CSCC[C@H](NN)C1CCCC1 127094931 573769077 /nfs/dbraw/zinc/76/90/77/573769077.db2.gz NUQLYAMFCYLGAW-VIFPVBQESA-N 0 0 188.340 1.762 10 0 ADAERN COc1ccccc1[C@H]1CC(=O)NN1 166697726 573769103 /nfs/dbraw/zinc/76/91/03/573769103.db2.gz GRVDXGHITMIQOT-MRVPVSSYSA-N 0 0 192.218 1.601 10 0 ADAERN CC(C)(C)NC(=O)NC(=O)C1CCC1 238096359 573769122 /nfs/dbraw/zinc/76/91/22/573769122.db2.gz OUNLLTUNXLNKGB-UHFFFAOYSA-N 0 0 198.266 1.411 10 0 ADAERN OCCn1c2c([nH]c1=S)CCCC2 76095224 573769123 /nfs/dbraw/zinc/76/91/23/573769123.db2.gz NUVOGAZLZADLIK-UHFFFAOYSA-N 0 0 198.291 1.417 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H]2CO2)cc1 238509471 573769124 /nfs/dbraw/zinc/76/91/24/573769124.db2.gz QNZHBYDKMRJHEH-VHSXEESVSA-N 0 0 164.204 1.427 10 0 ADAERN Cc1cnc(C(F)F)cc1N 238509771 573769131 /nfs/dbraw/zinc/76/91/31/573769131.db2.gz VLDPEBJMUNNLNH-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H](O)CCC1=O 238096168 573769149 /nfs/dbraw/zinc/76/91/49/573769149.db2.gz DPYVJXMRYQGOED-YUMQZZPRSA-N 0 0 170.252 1.763 10 0 ADAERN CN(C)[C@H](O)c1ccc2c(c1)CCO2 259620652 573769152 /nfs/dbraw/zinc/76/91/52/573769152.db2.gz RDZSLGHBQVSSDJ-LLVKDONJSA-N 0 0 193.246 1.174 10 0 ADAERN C[S@](=O)c1cc(F)cc2c1CCN2 238508680 573769175 /nfs/dbraw/zinc/76/91/75/573769175.db2.gz DJKPCRKIPKAURM-ZDUSSCGKSA-N 0 0 199.250 1.531 10 0 ADAERN C[C@]12CCCC[C@@H]1N=C(N)O2 238509683 573769185 /nfs/dbraw/zinc/76/91/85/573769185.db2.gz BASJBBCJZPLDSH-XPUUQOCRSA-N 0 0 154.213 1.033 10 0 ADAERN CC(=O)[C@@H](C)[C@H]1C[C@@H]1C 238509647 573770125 /nfs/dbraw/zinc/77/01/25/573770125.db2.gz HXYREKKICIATIX-BBVRLYRLSA-N 0 0 126.199 1.868 10 0 ADAERN CCC(=O)[C@H](O)c1cccc(OC)c1 258933407 573770050 /nfs/dbraw/zinc/77/00/50/573770050.db2.gz XPCRKOMLUJNTBD-LLVKDONJSA-N 0 0 194.230 1.708 10 0 ADAERN CC(C)(CC[NH2+]C1CCC1)C(=O)[O-] 258932539 573770056 /nfs/dbraw/zinc/77/00/56/573770056.db2.gz RYTDDMLVKHJQRB-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1cc(C(F)F)c(=O)[nH]c1C=O 238509998 573770063 /nfs/dbraw/zinc/77/00/63/573770063.db2.gz QFYKHXCSMAVGPN-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN COC(=O)[C@H](OC1CCC1)C1CC1 84090283 573770076 /nfs/dbraw/zinc/77/00/76/573770076.db2.gz WOBFCNVBIGOBRF-SECBINFHSA-N 0 0 184.235 1.507 10 0 ADAERN CC(=O)[C@@H]1C[C@H]2C[C@H]21 100078901 573770091 /nfs/dbraw/zinc/77/00/91/573770091.db2.gz BIXJPMLZFYZDJE-LYFYHCNISA-N 0 0 110.156 1.231 10 0 ADAERN CC(C)n1c2c([nH]c1=O)CCCC2 76094934 573770094 /nfs/dbraw/zinc/77/00/94/573770094.db2.gz HIMLNGZMAQURTE-UHFFFAOYSA-N 0 0 180.251 1.636 10 0 ADAERN C[C@@H](O)Cc1noc(-c2ccco2)n1 257871412 573770101 /nfs/dbraw/zinc/77/01/01/573770101.db2.gz AGCRIAWCPQKYOS-ZCFIWIBFSA-N 0 0 194.190 1.253 10 0 ADAERN O=C1NNC[C@H](c2ccccc2F)O1 257874377 573771427 /nfs/dbraw/zinc/77/14/27/573771427.db2.gz UFHKODGFJFSYNP-MRVPVSSYSA-N 0 0 196.181 1.111 10 0 ADAERN O=C([O-])C1=C[C@@H](C2CCCC2)[NH2+]CC1 257874387 573771418 /nfs/dbraw/zinc/77/14/18/573771418.db2.gz UFMNPPKIARGFTM-JTQLQIEISA-N 0 0 195.262 1.550 10 0 ADAERN CCO[C@H](C)C(=O)O[C@@H](C)C(C)C 308434987 573771439 /nfs/dbraw/zinc/77/14/39/573771439.db2.gz VUUVVHFXVVZYRM-DTWKUNHWSA-N 0 0 188.267 1.999 10 0 ADAERN C[C@]12CCCC[C@@]1(O)CC(=O)C2 238510320 573772370 /nfs/dbraw/zinc/77/23/70/573772370.db2.gz CZMIGRIBILJSNE-NXEZZACHSA-N 0 0 168.236 1.661 10 0 ADAERN CC[C@@H](C)Oc1ncccc1CO 40884157 573771785 /nfs/dbraw/zinc/77/17/85/573771785.db2.gz WWRYNZVFUASYFF-MRVPVSSYSA-N 0 0 181.235 1.751 10 0 ADAERN CC=CC=CC(=O)Nc1cc(C)[nH]n1 216943180 573771097 /nfs/dbraw/zinc/77/10/97/573771097.db2.gz QYLUTCBJOVNFEE-ICWBMWKASA-N 0 0 191.234 1.789 10 0 ADAERN OC[C@@H](COc1cccnc1)C1CC1 258125448 573771100 /nfs/dbraw/zinc/77/11/00/573771100.db2.gz FZXMNUSKCBYHDS-JTQLQIEISA-N 0 0 193.246 1.479 10 0 ADAERN CCc1cnc([C@H](C)NC#N)s1 642819431 573771109 /nfs/dbraw/zinc/77/11/09/573771109.db2.gz SRRDQQFIZHAHOI-LURJTMIESA-N 0 0 180.256 1.645 10 0 ADAERN Cc1nc2cscc2[nH]c1=O 238509329 573771141 /nfs/dbraw/zinc/77/11/41/573771141.db2.gz YCHODBRXIKGSJV-UHFFFAOYSA-N 0 0 166.205 1.293 10 0 ADAERN NCc1nnc(-c2ccsc2)s1 84099668 573771159 /nfs/dbraw/zinc/77/11/59/573771159.db2.gz IZGWHKRCOKTXID-UHFFFAOYSA-N 0 0 197.288 1.725 10 0 ADAERN C[C@]12CCCC[C@H]1N=C(N)O2 238511657 573771794 /nfs/dbraw/zinc/77/17/94/573771794.db2.gz BASJBBCJZPLDSH-SVRRBLITSA-N 0 0 154.213 1.033 10 0 ADAERN Cc1c(F)cc2c(c1O)C(=O)CC2 238508781 573771187 /nfs/dbraw/zinc/77/11/87/573771187.db2.gz AZKQBQDVNCRRNX-UHFFFAOYSA-N 0 0 180.178 1.969 10 0 ADAERN OCCc1noc(C2CCCC2)n1 258124357 573771206 /nfs/dbraw/zinc/77/12/06/573771206.db2.gz UEYDRFOOGDLVAY-UHFFFAOYSA-N 0 0 182.223 1.262 10 0 ADAERN O=C([O-])[C@H](C[NH+]1CCCC1)C1CC1 258125758 573771219 /nfs/dbraw/zinc/77/12/19/573771219.db2.gz GCZNUXRZJBIMGV-SECBINFHSA-N 0 0 183.251 1.193 10 0 ADAERN CN(c1cccs1)c1nnns1 258934876 573771795 /nfs/dbraw/zinc/77/17/95/573771795.db2.gz JQZHJWGPALHNNN-UHFFFAOYSA-N 0 0 198.276 1.763 10 0 ADAERN CCCc1cc(C(C)=O)nn1C 258422477 573771246 /nfs/dbraw/zinc/77/12/46/573771246.db2.gz CCTBPNYOWIOWTQ-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN NC(=S)Cc1ccncc1Cl 84085168 573771252 /nfs/dbraw/zinc/77/12/52/573771252.db2.gz PEAPKSHMEXXGMG-UHFFFAOYSA-N 0 0 186.667 1.564 10 0 ADAERN OCC1(Cc2cc[nH]c2)CC1 259178914 573771805 /nfs/dbraw/zinc/77/18/05/573771805.db2.gz QHVNGGVPUPKBBO-UHFFFAOYSA-N 0 0 151.209 1.330 10 0 ADAERN CC(C)(C)[C@H]1OC(=O)[C@@]1(C)F 238099364 573771277 /nfs/dbraw/zinc/77/12/77/573771277.db2.gz IQWQVZJKLDZOMG-XRGYYRRGSA-N 0 0 160.188 1.686 10 0 ADAERN Cc1ccc(N2N=NC[C@@H]2O)cc1 238511142 573771807 /nfs/dbraw/zinc/77/18/07/573771807.db2.gz BUUSRWRHIYJZNQ-VIFPVBQESA-N 0 0 177.207 1.501 10 0 ADAERN Clc1cnccc1Cn1cccn1 84088285 573771302 /nfs/dbraw/zinc/77/13/02/573771302.db2.gz JTBNLKLNLSFWDM-UHFFFAOYSA-N 0 0 193.637 1.980 10 0 ADAERN CCO[C@@H]1C[C@H]1[C@@H](O)c1ccoc1 689891672 573771319 /nfs/dbraw/zinc/77/13/19/573771319.db2.gz QJVTZCSKDRHNGP-BBBLOLIVSA-N 0 0 182.219 1.738 10 0 ADAERN C[C@H]1CN(C)c2ccc(N)cc2N1 259180941 573771324 /nfs/dbraw/zinc/77/13/24/573771324.db2.gz JRJNIXUTQJUNLG-ZETCQYMHSA-N 0 0 177.251 1.519 10 0 ADAERN CCCOCC(=O)c1ncccc1F 131137642 573771325 /nfs/dbraw/zinc/77/13/25/573771325.db2.gz OUAGODGBSJGCIS-UHFFFAOYSA-N 0 0 197.209 1.830 10 0 ADAERN CC1(C)CCC[N@@H+]1[C@H](C(=O)[O-])C1CC1 84094836 573771342 /nfs/dbraw/zinc/77/13/42/573771342.db2.gz RCBIVHSDTIDOSC-VIFPVBQESA-N 0 0 197.278 1.724 10 0 ADAERN CCO[C@@H]1C[C@@H]1[C@@H](O)c1ccoc1 689891667 573771350 /nfs/dbraw/zinc/77/13/50/573771350.db2.gz QJVTZCSKDRHNGP-AEJSXWLSSA-N 0 0 182.219 1.738 10 0 ADAERN COC(=O)[C@@]1(c2ccn(C)c2)C[C@@H]1C 259567953 573771352 /nfs/dbraw/zinc/77/13/52/573771352.db2.gz IYRJCCQCADGKOJ-KWQFWETISA-N 0 0 193.246 1.476 10 0 ADAERN O=C(OCc1ccccc1)[C@H]1C[C@H]1O 257874426 573771368 /nfs/dbraw/zinc/77/13/68/573771368.db2.gz UGEOZHQSYDZDGR-VHSXEESVSA-N 0 0 192.214 1.111 10 0 ADAERN COCCc1nc(Cl)c[nH]1 258422423 573771371 /nfs/dbraw/zinc/77/13/71/573771371.db2.gz CXKDXAWRERAUIA-UHFFFAOYSA-N 0 0 160.604 1.252 10 0 ADAERN CC(=O)c1cccc2c1c(=O)[nH]n2C 257875348 573771383 /nfs/dbraw/zinc/77/13/83/573771383.db2.gz UKIHLZPDXLVSIW-UHFFFAOYSA-N 0 0 190.202 1.069 10 0 ADAERN C/C=C/CN[C@H](C(=O)OC)[C@H](C)CC 393668665 573772380 /nfs/dbraw/zinc/77/23/80/573772380.db2.gz PTINMFSUOOMITC-NVETZNIKSA-N 0 0 199.294 1.740 10 0 ADAERN CC(=O)[C@]1(C)CC12CC2 238099998 573771462 /nfs/dbraw/zinc/77/14/62/573771462.db2.gz JRXFEHRNOIGCMF-ZETCQYMHSA-N 0 0 124.183 1.766 10 0 ADAERN Cc1nc(C(C)(C)C)oc1C(=O)CN 257874346 573771465 /nfs/dbraw/zinc/77/14/65/573771465.db2.gz UERILVODJOEPSG-UHFFFAOYSA-N 0 0 196.250 1.422 10 0 ADAERN CC(=O)c1ncnc2ccc(F)cc12 257875305 573771507 /nfs/dbraw/zinc/77/15/07/573771507.db2.gz UJTGHTFVXJBUNF-UHFFFAOYSA-N 0 0 190.177 1.972 10 0 ADAERN CC(C)CCOc1ccnc(CO)c1 40883344 573771508 /nfs/dbraw/zinc/77/15/08/573771508.db2.gz BWYCWUNLAJSMJO-UHFFFAOYSA-N 0 0 195.262 1.999 10 0 ADAERN CC(=O)[C@]1(C)CC=C(C)[C@@]1(C)O 238100079 573771528 /nfs/dbraw/zinc/77/15/28/573771528.db2.gz ZTLKODBANOSLON-VHSXEESVSA-N 0 0 168.236 1.683 10 0 ADAERN CC/C(=C\C[NH2+]C1(C)CCC1)C(=O)[O-] 308435044 573771529 /nfs/dbraw/zinc/77/15/29/573771529.db2.gz LGTHHHWHTDAXQW-WEVVVXLNSA-N 0 0 197.278 1.940 10 0 ADAERN CCn1nccc1-c1ncccc1N 122611663 573771533 /nfs/dbraw/zinc/77/15/33/573771533.db2.gz AMYDJSJJPUUMOZ-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC[C@H](C)Oc1ccc(CO)cn1 40884178 573771536 /nfs/dbraw/zinc/77/15/36/573771536.db2.gz FGVAOLTWJMPZEY-QMMMGPOBSA-N 0 0 181.235 1.751 10 0 ADAERN COc1cnn(C)c1[C@@H](O)C(C)(C)C 122617753 573771554 /nfs/dbraw/zinc/77/15/54/573771554.db2.gz VAMKYPFCRDXZGH-SECBINFHSA-N 0 0 198.266 1.508 10 0 ADAERN O=C(OCc1ccccc1)[C@@H]1C[C@H]1O 257874423 573771587 /nfs/dbraw/zinc/77/15/87/573771587.db2.gz UGEOZHQSYDZDGR-NXEZZACHSA-N 0 0 192.214 1.111 10 0 ADAERN CCC[C@H]([C@@H](C)CC(=O)[O-])[NH+](C)C 259567645 573771594 /nfs/dbraw/zinc/77/15/94/573771594.db2.gz PAFNPKQTKLJROB-DTWKUNHWSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@@H](C[NH2+]CC1CCC1)CC(=O)[O-] 258932178 573771603 /nfs/dbraw/zinc/77/16/03/573771603.db2.gz RVZLRLXTWJUBOA-MRVPVSSYSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1ccc([C@@H]2CCC(=O)O2)cc1N 238511509 573771626 /nfs/dbraw/zinc/77/16/26/573771626.db2.gz QJBBMBIHRBBTOK-JTQLQIEISA-N 0 0 191.230 1.955 10 0 ADAERN O=C([O-])C1=C[C@H](C2CCCC2)[NH2+]CC1 257874389 573771633 /nfs/dbraw/zinc/77/16/33/573771633.db2.gz UFMNPPKIARGFTM-SNVBAGLBSA-N 0 0 195.262 1.550 10 0 ADAERN Cc1cc2ccccc(=O)c2nn1 238511674 573771634 /nfs/dbraw/zinc/77/16/34/573771634.db2.gz DDTXFPHCHBBMAS-UHFFFAOYSA-N 0 0 172.187 1.298 10 0 ADAERN COC(=O)[C@@H]1C[C@H]2CCS[C@H]2C1 259567708 573772249 /nfs/dbraw/zinc/77/22/49/573772249.db2.gz IWRXQBGOYZOQJZ-PRJMDXOYSA-N 0 0 186.276 1.691 10 0 ADAERN Cc1cc(CCON)cc(F)c1F 258126590 573771678 /nfs/dbraw/zinc/77/16/78/573771678.db2.gz REAIUYMMRHSNNG-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN C/C=C/C(=O)O[C@@H](CC)C(=O)OC 308435556 573771683 /nfs/dbraw/zinc/77/16/83/573771683.db2.gz WEABUKTXRFCVMN-KNIZRNDPSA-N 0 0 186.207 1.057 10 0 ADAERN CC(C)(C)[C@H]1OCC(C)(C)[C@@H](O)O1 238099466 573771705 /nfs/dbraw/zinc/77/17/05/573771705.db2.gz YIFOCLQBGYGVFC-YUMQZZPRSA-N 0 0 188.267 1.750 10 0 ADAERN Cn1c(CON)cc2cccc(O)c21 258126276 573771730 /nfs/dbraw/zinc/77/17/30/573771730.db2.gz JWSPEUUIVSXXBV-UHFFFAOYSA-N 0 0 192.218 1.274 10 0 ADAERN C[C@@H]1CCCC[N@@H+]1[C@H](C(=O)[O-])C1CC1 84092884 573771742 /nfs/dbraw/zinc/77/17/42/573771742.db2.gz YOJDABFWZWJPOM-SCZZXKLOSA-N 0 0 197.278 1.724 10 0 ADAERN CC(=O)[C@]1(C)C[C@@]1(C)C(C)=O 238101273 573771747 /nfs/dbraw/zinc/77/17/47/573771747.db2.gz ANPJJEMIHXBZOP-IUCAKERBSA-N 0 0 154.209 1.581 10 0 ADAERN Cc1cc(O)ccc1[C@H](C)CO 257875277 573771829 /nfs/dbraw/zinc/77/18/29/573771829.db2.gz YZZOVFNEKVMBSX-MRVPVSSYSA-N 0 0 166.220 1.796 10 0 ADAERN CC(=O)NCc1[nH]c(C)cc1C 238100366 573771831 /nfs/dbraw/zinc/77/18/31/573771831.db2.gz SUFLESYYSQFXKQ-UHFFFAOYSA-N 0 0 166.224 1.268 10 0 ADAERN CC(C)COc1cc(CO)ccn1 40883209 573771837 /nfs/dbraw/zinc/77/18/37/573771837.db2.gz FREOCDMTSLXTFY-UHFFFAOYSA-N 0 0 181.235 1.609 10 0 ADAERN CCO[C@@H]1C[C@@H]1[C@H](O)c1ccoc1 689891677 573771850 /nfs/dbraw/zinc/77/18/50/573771850.db2.gz QJVTZCSKDRHNGP-IVZWLZJFSA-N 0 0 182.219 1.738 10 0 ADAERN CC(=O)C(=O)N(C)CCC1CCCC1 258931709 573771855 /nfs/dbraw/zinc/77/18/55/573771855.db2.gz LLUNZLIRIKFJPC-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN Cc1cc2ccc(O)cc2n1N 238510699 573771870 /nfs/dbraw/zinc/77/18/70/573771870.db2.gz AIOTYJKHMGDDRW-UHFFFAOYSA-N 0 0 162.192 1.369 10 0 ADAERN C/C=C/C=C/c1nc(CNC)no1 308715250 573771875 /nfs/dbraw/zinc/77/18/75/573771875.db2.gz AXNUDEISKCVTBM-VNKDHWASSA-N 0 0 179.223 1.378 10 0 ADAERN COC(=O)C=CN[C@@H](C)C1CCCC1 308436468 573771877 /nfs/dbraw/zinc/77/18/77/573771877.db2.gz PPOVWCKYNQJWEX-FUOZMLNRSA-N 0 0 197.278 1.841 10 0 ADAERN CCC[C@@H](/C=C/C(=O)[O-])[NH2+]C 259180177 573771885 /nfs/dbraw/zinc/77/18/85/573771885.db2.gz DRQBTIFIYNGJAD-XPPMVYLVSA-N 0 0 157.213 1.015 10 0 ADAERN CN(C)[C@H](O)c1cc(F)ccc1F 259567527 573771909 /nfs/dbraw/zinc/77/19/09/573771909.db2.gz OZTMQSPBLJISPG-SECBINFHSA-N 0 0 187.189 1.517 10 0 ADAERN C[C@H](CO)c1cc2c(cc1O)CCC2 258126568 573771916 /nfs/dbraw/zinc/77/19/16/573771916.db2.gz RDNRUAXGMBFOLR-MRVPVSSYSA-N 0 0 192.258 1.977 10 0 ADAERN CCN(c1cc(CO)ccn1)C(C)C 40877196 573771917 /nfs/dbraw/zinc/77/19/17/573771917.db2.gz SYISFPGRDOVQPK-UHFFFAOYSA-N 0 0 194.278 1.809 10 0 ADAERN C[C@]12CCCC[C@@]1(O)[C@@H](O)CCC2 238510414 573771922 /nfs/dbraw/zinc/77/19/22/573771922.db2.gz VLUROGYVAKSLOW-HBNTYKKESA-N 0 0 184.279 1.843 10 0 ADAERN C/C=C\CN[C@H](C(=O)OC)[C@H](C)CC 393668663 573771938 /nfs/dbraw/zinc/77/19/38/573771938.db2.gz PTINMFSUOOMITC-LZDAAXCASA-N 0 0 199.294 1.740 10 0 ADAERN CC[C@@H](C)N(C)c1ccc(CO)cn1 40865187 573771954 /nfs/dbraw/zinc/77/19/54/573771954.db2.gz RHSXZXYPHXUFMC-SECBINFHSA-N 0 0 194.278 1.809 10 0 ADAERN Cc1cccc([C@@H]2C[C@@H]2C(N)=O)c1 238511363 573771972 /nfs/dbraw/zinc/77/19/72/573771972.db2.gz MTPNRYZWFJOZNX-UWVGGRQHSA-N 0 0 175.231 1.584 10 0 ADAERN C[C@H]1Sc2nccnc2N[C@@]1(C)O 238511902 573771991 /nfs/dbraw/zinc/77/19/91/573771991.db2.gz BJGMHNJRQKGRMD-XRGYYRRGSA-N 0 0 197.263 1.091 10 0 ADAERN Cn1cc2c(c1/C=C/CO)CCCC2 238511825 573772007 /nfs/dbraw/zinc/77/20/07/573772007.db2.gz FTSWOANSECHNCF-QPJJXVBHSA-N 0 0 191.274 1.909 10 0 ADAERN CC(C)(C)[C@H]1[C@@H](C(N)=O)C1(C)C 238100224 573772010 /nfs/dbraw/zinc/77/20/10/573772010.db2.gz YSJSVHTXRBHQRO-NKWVEPMBSA-N 0 0 169.268 1.790 10 0 ADAERN CCCCOc1ncccc1CO 40884117 573772012 /nfs/dbraw/zinc/77/20/12/573772012.db2.gz MJDFMFOSKTXLKR-UHFFFAOYSA-N 0 0 181.235 1.753 10 0 ADAERN Cn1nc([C@]2(C)CCCCO2)cc1N 258127535 573772269 /nfs/dbraw/zinc/77/22/69/573772269.db2.gz PZBGYNHBJADVEV-JTQLQIEISA-N 0 0 195.266 1.418 10 0 ADAERN CO[C@@H]1Cc2ccc(O)cc21 258422169 573772028 /nfs/dbraw/zinc/77/20/28/573772028.db2.gz CBKVWXQRGGOVBG-SECBINFHSA-N 0 0 150.177 1.636 10 0 ADAERN O=Cc1nc(Cl)ncc1Cl 238511031 573772044 /nfs/dbraw/zinc/77/20/44/573772044.db2.gz ZKGNWHVEBSQCKK-UHFFFAOYSA-N 0 0 176.990 1.596 10 0 ADAERN CCCN(C)c1ccc(CO)cn1 40865233 573772054 /nfs/dbraw/zinc/77/20/54/573772054.db2.gz WLXYFRYZASFFJV-UHFFFAOYSA-N 0 0 180.251 1.420 10 0 ADAERN CCO[C@@H](C)C(=O)O[C@@H](C)C(C)C 308434988 573772084 /nfs/dbraw/zinc/77/20/84/573772084.db2.gz VUUVVHFXVVZYRM-IUCAKERBSA-N 0 0 188.267 1.999 10 0 ADAERN O=Cc1coc(Br)c1F 108365437 573772107 /nfs/dbraw/zinc/77/21/07/573772107.db2.gz VRAKHNKAFODLMN-UHFFFAOYSA-N 0 0 192.971 1.994 10 0 ADAERN C[C@@H]1CN(C)c2ccc(N)cc2N1 259180939 573772120 /nfs/dbraw/zinc/77/21/20/573772120.db2.gz JRJNIXUTQJUNLG-SSDOTTSWSA-N 0 0 177.251 1.519 10 0 ADAERN CC(C)Cc1cnc2n1CCC[C@@H]2O 257874477 573772122 /nfs/dbraw/zinc/77/21/22/573772122.db2.gz UHTPWYPUTGGZAL-JTQLQIEISA-N 0 0 194.278 1.909 10 0 ADAERN C[C@H]1O[C@H]1[C@@H](O)C(C)(C)C 238510316 573772124 /nfs/dbraw/zinc/77/21/24/573772124.db2.gz GPFFWJGPIBWMKU-FSDSQADBSA-N 0 0 144.214 1.181 10 0 ADAERN COc1cc(O)cc2c1NC(=O)CC2 257874695 573772132 /nfs/dbraw/zinc/77/21/32/573772132.db2.gz FYCHZDVURZMVRU-UHFFFAOYSA-N 0 0 193.202 1.286 10 0 ADAERN Cc1nc2ncc(=S)[nH]c2nc1C 238511104 573772135 /nfs/dbraw/zinc/77/21/35/573772135.db2.gz ZXPOUOCVALDYJY-UHFFFAOYSA-N 0 0 192.247 1.699 10 0 ADAERN CCC[C@@H]([C@H](C)CC(=O)[O-])[NH+](C)C 259567641 573772141 /nfs/dbraw/zinc/77/21/41/573772141.db2.gz PAFNPKQTKLJROB-BDAKNGLRSA-N 0 0 187.283 1.828 10 0 ADAERN CC(C)CCOc1ccc(CO)cn1 40883349 573772152 /nfs/dbraw/zinc/77/21/52/573772152.db2.gz XPCGFWJJGMGVEL-UHFFFAOYSA-N 0 0 195.262 1.999 10 0 ADAERN Cn1nc([C@@]2(C)CCCCO2)cc1N 258127542 573772153 /nfs/dbraw/zinc/77/21/53/573772153.db2.gz PZBGYNHBJADVEV-SNVBAGLBSA-N 0 0 195.266 1.418 10 0 ADAERN CC(C)SC(=O)c1cc(N)n[nH]1 257874664 573772156 /nfs/dbraw/zinc/77/21/56/573772156.db2.gz FWZPJXNLSAJIET-UHFFFAOYSA-N 0 0 185.252 1.274 10 0 ADAERN Cc1cccn2c(C3CC3)nnc12 258128271 573772171 /nfs/dbraw/zinc/77/21/71/573772171.db2.gz GVVWIEJPMDPYMV-UHFFFAOYSA-N 0 0 173.219 1.915 10 0 ADAERN CCN(c1cc(CO)ccn1)C1CC1 40877511 573772193 /nfs/dbraw/zinc/77/21/93/573772193.db2.gz HSFJJPVOCMCJEZ-UHFFFAOYSA-N 0 0 192.262 1.563 10 0 ADAERN CC(=O)C[C@@]1(C)O[C@@H]1C 238511354 573772364 /nfs/dbraw/zinc/77/23/64/573772364.db2.gz BXBBTNLFAHKVPU-RNFRBKRXSA-N 0 0 128.171 1.143 10 0 ADAERN Cc1cc(O)ccc1[C@@H](C)CO 257875279 573772230 /nfs/dbraw/zinc/77/22/30/573772230.db2.gz YZZOVFNEKVMBSX-QMMMGPOBSA-N 0 0 166.220 1.796 10 0 ADAERN CC(=O)Nc1cnnc2ccccc12 238100167 573772231 /nfs/dbraw/zinc/77/22/31/573772231.db2.gz WINUKNMPPXEEFP-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN CCCCOc1ccc(CO)nn1 40884136 573772234 /nfs/dbraw/zinc/77/22/34/573772234.db2.gz JHUAFIKOBUGKRC-UHFFFAOYSA-N 0 0 182.223 1.148 10 0 ADAERN CC[C@@H](C)N(C)c1ncccc1CO 40865157 573772285 /nfs/dbraw/zinc/77/22/85/573772285.db2.gz WZJKFRWUFQOEPP-SECBINFHSA-N 0 0 194.278 1.809 10 0 ADAERN CC(C)(C)c1ccc(NC#N)nn1 259180371 573772289 /nfs/dbraw/zinc/77/22/89/573772289.db2.gz GVWMEBIYTUCDER-UHFFFAOYSA-N 0 0 176.223 1.667 10 0 ADAERN C1CCC2(C1)CNOC2 238099664 573772312 /nfs/dbraw/zinc/77/23/12/573772312.db2.gz NNZPPKHGRYIHAZ-UHFFFAOYSA-N 0 0 127.187 1.082 10 0 ADAERN Cc1ccc(N2N=NC[C@H]2O)cc1 238511162 573772316 /nfs/dbraw/zinc/77/23/16/573772316.db2.gz BUUSRWRHIYJZNQ-SECBINFHSA-N 0 0 177.207 1.501 10 0 ADAERN C[C@H]1O[C@](C)(O)c2ccncc21 238511085 573772323 /nfs/dbraw/zinc/77/23/23/573772323.db2.gz FGHGTBSLHCGNSL-MUWHJKNJSA-N 0 0 165.192 1.338 10 0 ADAERN CCn1cc(/C=C(\CO)C(C)C)cn1 308435642 573772327 /nfs/dbraw/zinc/77/23/27/573772327.db2.gz MLKWDKXWMCCNDW-VZUCSPMQSA-N 0 0 194.278 1.935 10 0 ADAERN Oc1ccccc1C[C@@]1(O)CCOC1 257874411 573774084 /nfs/dbraw/zinc/77/40/84/573774084.db2.gz UFUIIBHXFQSAIK-NSHDSACASA-N 0 0 194.230 1.086 10 0 ADAERN CC[C@H](C)Oc1ccnc(CO)c1 40884170 573774097 /nfs/dbraw/zinc/77/40/97/573774097.db2.gz QTOTWKKGMPIJTJ-QMMMGPOBSA-N 0 0 181.235 1.751 10 0 ADAERN Cc1cccc([C@@H]2COCC(=O)N2)c1 238510863 573774102 /nfs/dbraw/zinc/77/41/02/573774102.db2.gz NKMLOPRDZRZWTN-JTQLQIEISA-N 0 0 191.230 1.183 10 0 ADAERN COCc1ccc(C(C)=O)o1 108366556 573774103 /nfs/dbraw/zinc/77/41/03/573774103.db2.gz HBVIXNPFOMWEEP-UHFFFAOYSA-N 0 0 154.165 1.629 10 0 ADAERN CC(=O)C(C)(C)/C=C/[C@@H]1O[C@@H]1C 238510776 573774114 /nfs/dbraw/zinc/77/41/14/573774114.db2.gz KCXVXWAVEMETPG-FLHCDVKPSA-N 0 0 168.236 1.945 10 0 ADAERN CCC[C@H](/C=C/C(=O)[O-])[NH2+]C 259180175 573774043 /nfs/dbraw/zinc/77/40/43/573774043.db2.gz DRQBTIFIYNGJAD-WEWAHIQMSA-N 0 0 157.213 1.015 10 0 ADAERN C[C@H]1C(=O)Nc2ccc(O)cc2N1C 259180815 573774051 /nfs/dbraw/zinc/77/40/51/573774051.db2.gz JOPYDJVNMKMHIM-LURJTMIESA-N 0 0 192.218 1.169 10 0 ADAERN Cc1ccc([C@@H]2CCC(=O)N2)c(N)c1 238511210 573774055 /nfs/dbraw/zinc/77/40/55/573774055.db2.gz XBAFXBYWRYYZSQ-JTQLQIEISA-N 0 0 190.246 1.528 10 0 ADAERN NCc1nnc([C@H]2CCCCO2)s1 84116900 573774058 /nfs/dbraw/zinc/77/40/58/573774058.db2.gz BDGBDTMFUJVDAI-ZCFIWIBFSA-N 0 0 199.279 1.238 10 0 ADAERN COc1cc(F)cc(O)c1[C@@H](C)O 258126454 573776129 /nfs/dbraw/zinc/77/61/29/573776129.db2.gz RASORKKFJQUJLA-RXMQYKEDSA-N 0 0 186.182 1.593 10 0 ADAERN Cc1nc(Br)oc1C=O 108365792 573776133 /nfs/dbraw/zinc/77/61/33/573776133.db2.gz MMKLFIFKHLOUHB-UHFFFAOYSA-N 0 0 189.996 1.558 10 0 ADAERN Cc1nc(C2CC2)ncc1F 108365838 573775852 /nfs/dbraw/zinc/77/58/52/573775852.db2.gz VIANDCLVRCPDKV-UHFFFAOYSA-N 0 0 152.172 1.802 10 0 ADAERN C[C@H](CC[C@H]1CCCCO1)NN 127153197 573776225 /nfs/dbraw/zinc/77/62/25/573776225.db2.gz MOFWRLMIPRGBLE-RKDXNWHRSA-N 0 0 172.272 1.188 10 0 ADAERN Cc1c(OC2CCC2)cnn1C 238510615 573775872 /nfs/dbraw/zinc/77/58/72/573775872.db2.gz FZVGUTGYWIYQCZ-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN FC(F)(F)CCC1N=NC(=S)N1 84123899 573775802 /nfs/dbraw/zinc/77/58/02/573775802.db2.gz QRRWLIUBAQPLNI-UHFFFAOYSA-N 0 0 197.185 1.588 10 0 ADAERN Cc1cc2ccccc(=O)c2[nH]1 238511611 573775812 /nfs/dbraw/zinc/77/58/12/573775812.db2.gz YYAHDVDMDJRKSL-UHFFFAOYSA-N 0 0 159.188 1.837 10 0 ADAERN CC/C=C/C(=O)OCc1cnns1 308435904 573775813 /nfs/dbraw/zinc/77/58/13/573775813.db2.gz WKGOWDSJUJYXEE-ONEGZZNKSA-N 0 0 198.247 1.548 10 0 ADAERN O=c1[nH]c2cccc(C3(O)CC3)c2[nH]1 258126381 573775897 /nfs/dbraw/zinc/77/58/97/573775897.db2.gz QYKYCEGAQQPGBF-UHFFFAOYSA-N 0 0 190.202 1.250 10 0 ADAERN CC(=O)[C@]1(C)C=CCCC1=O 238099810 573776232 /nfs/dbraw/zinc/77/62/32/573776232.db2.gz GDUMYBGKKPPEKT-VIFPVBQESA-N 0 0 152.193 1.501 10 0 ADAERN C/C=C\C(=O)O[C@@H](CC)C(=O)OC 308435557 573775741 /nfs/dbraw/zinc/77/57/41/573775741.db2.gz WEABUKTXRFCVMN-NGAMADIESA-N 0 0 186.207 1.057 10 0 ADAERN CC(C)(C)n1c(N)nc2cnccc21 84132755 573775831 /nfs/dbraw/zinc/77/58/31/573775831.db2.gz AFBXYGNLOBLIGZ-UHFFFAOYSA-N 0 0 190.250 1.769 10 0 ADAERN CC(=O)[C@@]1(C)O[C@H](C)C1(C)C 238510949 573775757 /nfs/dbraw/zinc/77/57/57/573775757.db2.gz DNLAGXVAUGBIKJ-VXNVDRBHSA-N 0 0 156.225 1.779 10 0 ADAERN CCC[C@@H]1CN(CC)C(=O)N1 259567887 573775772 /nfs/dbraw/zinc/77/57/72/573775772.db2.gz UWAMXOOCDATAJL-SSDOTTSWSA-N 0 0 156.229 1.200 10 0 ADAERN CCC1(CN[C@H]2CCOC2=O)CCC1 308717104 573775836 /nfs/dbraw/zinc/77/58/36/573775836.db2.gz BSTOPTIGXMYYIN-VIFPVBQESA-N 0 0 197.278 1.472 10 0 ADAERN CCC[C@@H](O)COc1ccccc1O 258127472 573775784 /nfs/dbraw/zinc/77/57/84/573775784.db2.gz LRRNSFJHZOACEX-SECBINFHSA-N 0 0 196.246 1.932 10 0 ADAERN C[C@]12CCCC[C@@]1(O)CC[C@@H](O)C2 238510356 573775839 /nfs/dbraw/zinc/77/58/39/573775839.db2.gz MODANHNWUAIHTR-GMTAPVOTSA-N 0 0 184.279 1.843 10 0 ADAERN O=C([O-])C1(C[NH2+]CCC2CCC2)CC1 258936630 573775841 /nfs/dbraw/zinc/77/58/41/573775841.db2.gz PGDANUJUBAYLOQ-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN O=C([O-])/C=C/CNc1cc[nH+]cc1 258936544 573775938 /nfs/dbraw/zinc/77/59/38/573775938.db2.gz PCKRQHPZHUDOIM-OWOJBTEDSA-N 0 0 178.191 1.134 10 0 ADAERN C[C@@H](CO)c1cc2c(cc1O)CCC2 258126571 573775942 /nfs/dbraw/zinc/77/59/42/573775942.db2.gz RDNRUAXGMBFOLR-QMMMGPOBSA-N 0 0 192.258 1.977 10 0 ADAERN CC(=O)CCOC=C(C)C 238100042 573775955 /nfs/dbraw/zinc/77/59/55/573775955.db2.gz VYXBNAZKOMWXGA-UHFFFAOYSA-N 0 0 142.198 1.906 10 0 ADAERN CC[C@@H]1CCC(=O)N(C[C@H](C)O)CC1 79225995 573775977 /nfs/dbraw/zinc/77/59/77/573775977.db2.gz GHBMFFFUYWXQGG-VHSXEESVSA-N 0 0 199.294 1.406 10 0 ADAERN COC(=O)[C@@H]1[C@H](C(C)=O)C1(C)C 212017184 573775978 /nfs/dbraw/zinc/77/59/78/573775978.db2.gz KKPMASNTOFHQDG-BQBZGAKWSA-N 0 0 170.208 1.021 10 0 ADAERN C=C=CC(C)(C)CCO 238100212 573775987 /nfs/dbraw/zinc/77/59/87/573775987.db2.gz KTTPXHMWFHEJFW-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN COCc1coc(C(C)=O)c1 108366553 573776000 /nfs/dbraw/zinc/77/60/00/573776000.db2.gz YQKCUKQAYAJLDM-UHFFFAOYSA-N 0 0 154.165 1.629 10 0 ADAERN Cn1c(C(C)(C)[NH3+])nc2cnccc21 84132314 573776002 /nfs/dbraw/zinc/77/60/02/573776002.db2.gz SQTSTZDFYDDKRJ-UHFFFAOYSA-N 0 0 190.250 1.162 10 0 ADAERN Cc1ccc(C2(O)CC2)c2c1OCO2 258126459 573776034 /nfs/dbraw/zinc/77/60/34/573776034.db2.gz RAUBBJXMDVWJMA-UHFFFAOYSA-N 0 0 192.214 1.705 10 0 ADAERN CC(C)[C@@H](C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] 258128220 573776055 /nfs/dbraw/zinc/77/60/55/573776055.db2.gz QCUDXEMYTYEKOA-VHSXEESVSA-N 0 0 199.294 1.685 10 0 ADAERN O=C1NCCSc2cc(F)ccc21 224674054 573776113 /nfs/dbraw/zinc/77/61/13/573776113.db2.gz JCIACUCEALQTKH-UHFFFAOYSA-N 0 0 197.234 1.661 10 0 ADAERN O=C1CCCN1c1ccc(F)cn1 108365750 573776058 /nfs/dbraw/zinc/77/60/58/573776058.db2.gz OENVCFPDWIFOLB-UHFFFAOYSA-N 0 0 180.182 1.348 10 0 ADAERN CN(C(=O)C(C)(C)O)c1cccs1 258940849 573776060 /nfs/dbraw/zinc/77/60/60/573776060.db2.gz MIUBEVWMWDNVOH-UHFFFAOYSA-N 0 0 199.275 1.482 10 0 ADAERN Cc1ccc(CC[C@H](C)NN)cc1 127156086 573776061 /nfs/dbraw/zinc/77/60/61/573776061.db2.gz BPXRRRKQLMCYSE-JTQLQIEISA-N 0 0 178.279 1.779 10 0 ADAERN O=C1NN=C(C2CC2)C1F 108366215 573776064 /nfs/dbraw/zinc/77/60/64/573776064.db2.gz KKQSQAURUDXTSH-UHFFFAOYSA-N 0 0 142.133 1.132 10 0 ADAERN CC(C)(O)c1c(F)ccc2c1CCO2 258126349 573776099 /nfs/dbraw/zinc/77/60/99/573776099.db2.gz QXKNLSMMDLNBJJ-UHFFFAOYSA-N 0 0 196.221 1.988 10 0 ADAERN CC(=O)[C@@]1(C)C[C@@]1(C)C(C)=O 238101563 573776101 /nfs/dbraw/zinc/77/61/01/573776101.db2.gz ANPJJEMIHXBZOP-DTORHVGOSA-N 0 0 154.209 1.581 10 0 ADAERN C=C=CC[C@@H](C(C)=O)C(=O)OC 238347057 573776171 /nfs/dbraw/zinc/77/61/71/573776171.db2.gz KZMKSSIMMKAFCO-QMMMGPOBSA-N 0 0 168.192 1.096 10 0 ADAERN CC[C@H](N)c1nnc(C(F)F)s1 84117858 573776175 /nfs/dbraw/zinc/77/61/75/573776175.db2.gz SPWLAGODZNBHNU-VKHMYHEASA-N 0 0 193.222 1.886 10 0 ADAERN CC(C)(C)[C@H]1OC(=O)[C@]1(C)F 238099422 573776182 /nfs/dbraw/zinc/77/61/82/573776182.db2.gz IQWQVZJKLDZOMG-SVGQVSJJSA-N 0 0 160.188 1.686 10 0 ADAERN CCSC(=O)c1oncc1N 258128211 573776239 /nfs/dbraw/zinc/77/62/39/573776239.db2.gz NMBNLDHQWWKIJO-UHFFFAOYSA-N 0 0 172.209 1.150 10 0 ADAERN Cc1nc2ncc[nH]c-2cc1=O 238512002 573777199 /nfs/dbraw/zinc/77/71/99/573777199.db2.gz YEQHAKBAXHQCED-UHFFFAOYSA-N 0 0 161.164 1.039 10 0 ADAERN Cc1c(C(=O)[O-])cccc1[C@@H]1CC[NH2+]1 238511914 573777204 /nfs/dbraw/zinc/77/72/04/573777204.db2.gz NFIOWNRUNHSLJP-JTQLQIEISA-N 0 0 191.230 1.728 10 0 ADAERN CC(C)(C)[C@]1(C)CC(=O)CO1 238107355 573777409 /nfs/dbraw/zinc/77/74/09/573777409.db2.gz PMRMZIHLUDTMEW-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)(CO)c1ccc(F)cc1O 258118797 573777413 /nfs/dbraw/zinc/77/74/13/573777413.db2.gz QLKSVBSGWLMBBL-UHFFFAOYSA-N 0 0 184.210 1.801 10 0 ADAERN Cc1ccn2nc(NC(C)C)nc2c1 87101484 573777421 /nfs/dbraw/zinc/77/74/21/573777421.db2.gz IEMOHEBBXVCVSQ-UHFFFAOYSA-N 0 0 190.250 1.858 10 0 ADAERN O=C([O-])[C@]1(C2CCCC2)CCC[NH2+]1 258117483 573777427 /nfs/dbraw/zinc/77/74/27/573777427.db2.gz LNDIZOWBERTTJO-SNVBAGLBSA-N 0 0 183.251 1.383 10 0 ADAERN O=C([O-])C1(C[NH2+]CC2CCCC2)CC1 258936581 573777428 /nfs/dbraw/zinc/77/74/28/573777428.db2.gz PEQOKFFXPIDZSR-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN COc1cc(C)cc(CCON)c1F 258129166 573777444 /nfs/dbraw/zinc/77/74/44/573777444.db2.gz MUUQFJAIGBKMPA-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN Cc1ccc(-c2nnc(CN)s2)o1 84117074 573777790 /nfs/dbraw/zinc/77/77/90/573777790.db2.gz AKUWZRHYORVODI-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN Cc1ccc(CC[C@@H](C)NN)cc1 127155824 573777105 /nfs/dbraw/zinc/77/71/05/573777105.db2.gz BPXRRRKQLMCYSE-SNVBAGLBSA-N 0 0 178.279 1.779 10 0 ADAERN COCc1cc(F)ccc1CCCO 258129427 573777107 /nfs/dbraw/zinc/77/71/07/573777107.db2.gz NAGXVMVNZJXAHV-UHFFFAOYSA-N 0 0 198.237 1.897 10 0 ADAERN CC(=O)CC[C@]1(C)OCCC1=O 238106441 573777120 /nfs/dbraw/zinc/77/71/20/573777120.db2.gz GJBGHBDMZXOAKO-VIFPVBQESA-N 0 0 170.208 1.104 10 0 ADAERN Clc1coc(Cl)n1 238513643 573777132 /nfs/dbraw/zinc/77/71/32/573777132.db2.gz XSACQZSHYVDIBA-UHFFFAOYSA-N 0 0 137.953 1.981 10 0 ADAERN C=CC(=O)N1CCC[C@@H]1C(C)C 84125630 573777136 /nfs/dbraw/zinc/77/71/36/573777136.db2.gz YIPARVXCQGBNEZ-SECBINFHSA-N 0 0 167.252 1.819 10 0 ADAERN C/C=C\C[C@@H]1CCC(=O)NC1=O 216988284 573777140 /nfs/dbraw/zinc/77/71/40/573777140.db2.gz SMSZPYHBYDLPTF-SKRYNEFJSA-N 0 0 167.208 1.005 10 0 ADAERN Cc1ccc(F)c([C@@H]2COCCN2)c1 76136547 573777141 /nfs/dbraw/zinc/77/71/41/573777141.db2.gz HGQLVQFGYBHIIH-NSHDSACASA-N 0 0 195.237 1.795 10 0 ADAERN Cc1cccc2c1[C@H](O)[C@H](C)C2=O 238513462 573777149 /nfs/dbraw/zinc/77/71/49/573777149.db2.gz YRGRLHROYLJBGG-RDDDGLTNSA-N 0 0 176.215 1.861 10 0 ADAERN Cc1cccc([C@@H]([NH3+])C(=O)[O-])c1F 76135372 573777151 /nfs/dbraw/zinc/77/71/51/573777151.db2.gz KLCJTGPCSYJKGK-MRVPVSSYSA-N 0 0 183.182 1.219 10 0 ADAERN NCc1nnc(-c2ccoc2)s1 84117049 573777174 /nfs/dbraw/zinc/77/71/74/573777174.db2.gz PHGFFZWJCMJCPR-UHFFFAOYSA-N 0 0 181.220 1.257 10 0 ADAERN NOCc1cc(F)ccc1C=O 258117405 573777182 /nfs/dbraw/zinc/77/71/82/573777182.db2.gz ZPLYFOSCWRTQCC-UHFFFAOYSA-N 0 0 169.155 1.029 10 0 ADAERN COC(=O)[C@@H](N)[C@@H](F)C1CCCC1 257875534 573777198 /nfs/dbraw/zinc/77/71/98/573777198.db2.gz UMHKJHXWAMJZDK-YUMQZZPRSA-N 0 0 189.230 1.015 10 0 ADAERN COC(=O)[C@@](C)(F)c1ccccc1O 257877195 573777245 /nfs/dbraw/zinc/77/72/45/573777245.db2.gz USEAEBYNWFDGCD-JTQLQIEISA-N 0 0 198.193 1.750 10 0 ADAERN Cc1nn(C)c(C)c1OC1CCC1 238512664 573777459 /nfs/dbraw/zinc/77/74/59/573777459.db2.gz YFCMEFLTEOXCLT-UHFFFAOYSA-N 0 0 180.251 1.968 10 0 ADAERN COC(OC)[C@H](C1=CC=CC1)[C@@H](C)O 238347333 573777274 /nfs/dbraw/zinc/77/72/74/573777274.db2.gz GRNQYOMIOGKFDZ-SCZZXKLOSA-N 0 0 198.262 1.489 10 0 ADAERN CCOCc1ncc(N)s1 257876975 573777285 /nfs/dbraw/zinc/77/72/85/573777285.db2.gz JHQOTVNGXHULLS-UHFFFAOYSA-N 0 0 158.226 1.262 10 0 ADAERN NCc1nnc([C@@H]2CCCCO2)s1 84116898 573777290 /nfs/dbraw/zinc/77/72/90/573777290.db2.gz BDGBDTMFUJVDAI-LURJTMIESA-N 0 0 199.279 1.238 10 0 ADAERN Cc1cc(C)n2nccc2c1 238512371 573777316 /nfs/dbraw/zinc/77/73/16/573777316.db2.gz JWKBUSZKKDQNSY-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN CC(C)[C@@H]1CCCN1C(N)=S 84125812 573777319 /nfs/dbraw/zinc/77/73/19/573777319.db2.gz CQZFKGISFGOWSA-ZETCQYMHSA-N 0 0 172.297 1.350 10 0 ADAERN CONCc1c(F)ccc2c1OCC2 258118857 573777324 /nfs/dbraw/zinc/77/73/24/573777324.db2.gz QMNRVPINWUFNNP-UHFFFAOYSA-N 0 0 197.209 1.412 10 0 ADAERN CC(C)C1=CCC[C@@]1([NH3+])C(=O)[O-] 238108622 573777340 /nfs/dbraw/zinc/77/73/40/573777340.db2.gz AQEJWMXANIGZAP-VIFPVBQESA-N 0 0 169.224 1.145 10 0 ADAERN C[C@H](N)c1nnc([C@H]2CCCO2)s1 84117309 573777352 /nfs/dbraw/zinc/77/73/52/573777352.db2.gz MTNNAMNFDVLOCZ-NTSWFWBYSA-N 0 0 199.279 1.409 10 0 ADAERN CNc1nc2cccc(C)n2n1 87101609 573777369 /nfs/dbraw/zinc/77/73/69/573777369.db2.gz MUYIBXIISZXIQD-UHFFFAOYSA-N 0 0 162.196 1.079 10 0 ADAERN CCN(C)C(=O)N[C@@H](C)CC(C)=O 393562854 573777398 /nfs/dbraw/zinc/77/73/98/573777398.db2.gz BKSDSJJTHGDEES-ZETCQYMHSA-N 0 0 186.255 1.015 10 0 ADAERN OCCc1cc(Cl)c2c(c1)CCO2 258129171 573777399 /nfs/dbraw/zinc/77/73/99/573777399.db2.gz MUYBIJUZRRCOTH-UHFFFAOYSA-N 0 0 198.649 1.810 10 0 ADAERN CCCn1c(N)nc2cnccc21 84132570 573777379 /nfs/dbraw/zinc/77/73/79/573777379.db2.gz LPBRJVPJVACOBF-UHFFFAOYSA-N 0 0 176.223 1.424 10 0 ADAERN Cc1c(C=O)ncc(C(F)F)c1N 238513256 573777400 /nfs/dbraw/zinc/77/74/00/573777400.db2.gz OLISWGSTASDBQV-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1cc(F)c(F)cc1C(=O)CN 108370307 573777473 /nfs/dbraw/zinc/77/74/73/573777473.db2.gz VOJRLXPPLKODCF-UHFFFAOYSA-N 0 0 185.173 1.415 10 0 ADAERN Cn1ccc(=O)c2c1CCCC2 238513677 573777502 /nfs/dbraw/zinc/77/75/02/573777502.db2.gz OJBVORWTFOCOLT-UHFFFAOYSA-N 0 0 163.220 1.264 10 0 ADAERN CC(=O)[C@]12CCC[C@H](O)[C@@H]1CCC2 238107929 573777509 /nfs/dbraw/zinc/77/75/09/573777509.db2.gz NEKFOKYZQSVYNT-DCAQKATOSA-N 0 0 182.263 1.907 10 0 ADAERN CC(C)(C)[C@]1(C)CC(=O)N1 238107381 573777524 /nfs/dbraw/zinc/77/75/24/573777524.db2.gz GUGMOBZHBSNHLI-QMMMGPOBSA-N 0 0 141.214 1.311 10 0 ADAERN Cc1cc(=O)cc(N(C)C)o1 100206671 573777532 /nfs/dbraw/zinc/77/75/32/573777532.db2.gz RYQSMOVCMABBEX-UHFFFAOYSA-N 0 0 153.181 1.014 10 0 ADAERN c1cc2[nH]c1CCCC2 238108387 573778237 /nfs/dbraw/zinc/77/82/37/573778237.db2.gz MWXHWVUTVXBGCK-UHFFFAOYSA-N 0 0 121.183 1.894 10 0 ADAERN O=c1[nH]ccc2cncc(Cl)c12 238512647 573777557 /nfs/dbraw/zinc/77/75/57/573777557.db2.gz FFNPEKBRTMHKJU-UHFFFAOYSA-N 0 0 180.594 1.577 10 0 ADAERN O=Cc1noc(C2CCSCC2)n1 257875602 573777582 /nfs/dbraw/zinc/77/75/82/573777582.db2.gz AUZIXYVSMLELAK-UHFFFAOYSA-N 0 0 198.247 1.493 10 0 ADAERN C[C@@H](N(C)N)C(C)(C)C 87100747 573778239 /nfs/dbraw/zinc/77/82/39/573778239.db2.gz MVZWJCZSCUXKTH-ZCFIWIBFSA-N 0 0 130.235 1.227 10 0 ADAERN C[C@@]1(CO)Cc2ccc(F)cc2O1 108369791 573777590 /nfs/dbraw/zinc/77/75/90/573777590.db2.gz KADZQNADJZFLHS-JTQLQIEISA-N 0 0 182.194 1.512 10 0 ADAERN NCc1nnc(CC2CCCC2)s1 84117071 573777599 /nfs/dbraw/zinc/77/75/99/573777599.db2.gz CKFNXOHFIYOUQY-UHFFFAOYSA-N 0 0 197.307 1.730 10 0 ADAERN CC1(C)C[C@@](O)(C(C)(C)C)C1=O 238108360 573777613 /nfs/dbraw/zinc/77/76/13/573777613.db2.gz KMCOVRWZMVKRBS-JTQLQIEISA-N 0 0 170.252 1.763 10 0 ADAERN CC[C@H]([NH3+])c1nc2cnccc2n1C 84132157 573778244 /nfs/dbraw/zinc/77/82/44/573778244.db2.gz ACSRYBDJHHCTMP-ZETCQYMHSA-N 0 0 190.250 1.378 10 0 ADAERN CC(C)[N@H+](C)C[C@H](C)CC(=O)[O-] 258935476 573777620 /nfs/dbraw/zinc/77/76/20/573777620.db2.gz SHCMXCHFEGNCMV-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN NN1CCC[C@H](C(F)(F)F)C1 87100921 573777628 /nfs/dbraw/zinc/77/76/28/573777628.db2.gz DTQLBVFZQGXECP-YFKPBYRVSA-N 0 0 168.162 1.134 10 0 ADAERN CC(=O)O[C@]12C=CC=C[C@H]1CC2=O 238108897 573777629 /nfs/dbraw/zinc/77/76/29/573777629.db2.gz MOKHJDOBPKKWAQ-WCBMZHEXSA-N 0 0 178.187 1.003 10 0 ADAERN CCc1nc(N)nc(Cl)c1F 108368877 573777642 /nfs/dbraw/zinc/77/76/42/573777642.db2.gz CVQIKGZIKRQTSB-UHFFFAOYSA-N 0 0 175.594 1.414 10 0 ADAERN CC1(C)OCC[C@H]2CC(=O)N21 100206945 573777664 /nfs/dbraw/zinc/77/76/64/573777664.db2.gz CLHFQOPRTPVOAB-LURJTMIESA-N 0 0 155.197 1.226 10 0 ADAERN CO[C@@]1(CO)CCc2cc(O)ccc21 257876255 573777669 /nfs/dbraw/zinc/77/76/69/573777669.db2.gz UOSUFOBGUBYUNL-LLVKDONJSA-N 0 0 194.230 1.172 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnc(CN)s1 84116923 573777670 /nfs/dbraw/zinc/77/76/70/573777670.db2.gz ITSCQTACZWJKHR-UHNVWZDZSA-N 0 0 169.253 1.120 10 0 ADAERN CC1=N[C@@H](C2CCCC2)C(=O)O1 100204905 573777678 /nfs/dbraw/zinc/77/76/78/573777678.db2.gz YFDOJXURKYNQEH-QMMMGPOBSA-N 0 0 167.208 1.520 10 0 ADAERN OC[C@@H]1Cc2ccc(Cl)cc2O1 108370288 573777679 /nfs/dbraw/zinc/77/76/79/573777679.db2.gz WEVPVZMJEYAFKM-QMMMGPOBSA-N 0 0 184.622 1.636 10 0 ADAERN Cn1cc2c(=S)[nH]cnc2n1 238512422 573777681 /nfs/dbraw/zinc/77/76/81/573777681.db2.gz YAIDEOLKJZJZAK-UHFFFAOYSA-N 0 0 166.209 1.026 10 0 ADAERN COC(=O)[C@@H](N)C[C@@H](F)C(C)(C)C 257877199 573777689 /nfs/dbraw/zinc/77/76/89/573777689.db2.gz USENUCYIJNZKAZ-NKWVEPMBSA-N 0 0 191.246 1.261 10 0 ADAERN Cc1c(N)c(=O)[nH]n1-c1ccccc1 238512393 573777705 /nfs/dbraw/zinc/77/77/05/573777705.db2.gz UCGPCPAKWLOJLR-UHFFFAOYSA-N 0 0 189.218 1.056 10 0 ADAERN O=Cc1cnc([C@@H]2CCCCN2)o1 258129208 573778254 /nfs/dbraw/zinc/77/82/54/573778254.db2.gz PEQILOWYPQSZSR-QMMMGPOBSA-N 0 0 180.207 1.302 10 0 ADAERN C[C@H](CO)c1cc(O)ccc1O 258118027 573777729 /nfs/dbraw/zinc/77/77/29/573777729.db2.gz ZTPMWCKNCMTPMP-ZCFIWIBFSA-N 0 0 168.192 1.194 10 0 ADAERN CSCc1nnc([C@@H](C)N)s1 84117350 573777743 /nfs/dbraw/zinc/77/77/43/573777743.db2.gz JXBBOAISPCUCTD-SCSAIBSYSA-N 0 0 189.309 1.421 10 0 ADAERN C[C@@]1(CO)Cc2cccc(F)c2O1 108369783 573777749 /nfs/dbraw/zinc/77/77/49/573777749.db2.gz PJHABISRQXEXGL-JTQLQIEISA-N 0 0 182.194 1.512 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]1CCC[C@H]([NH3+])C1 238106330 573777752 /nfs/dbraw/zinc/77/77/52/573777752.db2.gz TYGDIXPEPJRULI-YUMQZZPRSA-N 0 0 185.267 1.615 10 0 ADAERN COCc1c(CNO)cccc1OC 258118624 573777755 /nfs/dbraw/zinc/77/77/55/573777755.db2.gz QINHBEHBSNJJOF-UHFFFAOYSA-N 0 0 197.234 1.320 10 0 ADAERN C[NH+](C)Cc1coc(C(=O)[O-])c1 108367682 573777766 /nfs/dbraw/zinc/77/77/66/573777766.db2.gz BIQDHNFKWAWOLC-UHFFFAOYSA-N 0 0 169.180 1.039 10 0 ADAERN CC(C)(C)[C@](O)(CO)c1ccccc1 238107161 573777787 /nfs/dbraw/zinc/77/77/87/573777787.db2.gz AXSNDMIEMHTOIJ-LBPRGKRZSA-N 0 0 194.274 1.913 10 0 ADAERN Cc1cccc([C@@H]2COCCN2)c1F 76136545 573777791 /nfs/dbraw/zinc/77/77/91/573777791.db2.gz QTBGFVSWLHCBIU-JTQLQIEISA-N 0 0 195.237 1.795 10 0 ADAERN ONCc1cccc(F)c1Cl 258117991 573777840 /nfs/dbraw/zinc/77/78/40/573777840.db2.gz ZTGPVDUOXGHTMS-UHFFFAOYSA-N 0 0 175.590 1.958 10 0 ADAERN C[C@@H]1C(=O)O[C@@H](c2ccoc2)C[C@@H]1O 238513228 573777844 /nfs/dbraw/zinc/77/78/44/573777844.db2.gz GCVDNDZYJDLTDQ-CNUIFLNQSA-N 0 0 196.202 1.265 10 0 ADAERN OCc1cc(C2CCCCC2)n[nH]1 84122097 573777850 /nfs/dbraw/zinc/77/78/50/573777850.db2.gz JFCYGABADSPSTJ-UHFFFAOYSA-N 0 0 180.251 1.950 10 0 ADAERN O=C1NOC[C@H](C2CCCCCC2)O1 257876919 573777852 /nfs/dbraw/zinc/77/78/52/573777852.db2.gz RITLVZGFBQWLJA-SECBINFHSA-N 0 0 199.250 1.997 10 0 ADAERN CCOCC[C@@H](NN)C1CCCC1 127123030 573777866 /nfs/dbraw/zinc/77/78/66/573777866.db2.gz SJMDKAACBPEDTL-SNVBAGLBSA-N 0 0 186.299 1.435 10 0 ADAERN C[C@@H](O)c1ccccc1-n1ccnn1 258118838 573777879 /nfs/dbraw/zinc/77/78/79/573777879.db2.gz QMEYWXTWUFMOHT-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN Cc1nn(C)c(C)c1OC1CC1 238512639 573777892 /nfs/dbraw/zinc/77/78/92/573777892.db2.gz WOFHXYFDXMLYLY-UHFFFAOYSA-N 0 0 166.224 1.578 10 0 ADAERN Nc1cccc([C@@H]2COC(=O)N2)c1 108369181 573777899 /nfs/dbraw/zinc/77/78/99/573777899.db2.gz KRORRIACIUCFES-QMMMGPOBSA-N 0 0 178.191 1.050 10 0 ADAERN C[C@H](O)C[C@@H]1COc2cccc(O)c21 258118243 573777922 /nfs/dbraw/zinc/77/79/22/573777922.db2.gz OZBJBSGPWNLRRF-JGVFFNPUSA-N 0 0 194.230 1.639 10 0 ADAERN NCc1nnc(CC(F)(F)F)s1 84116914 573777926 /nfs/dbraw/zinc/77/79/26/573777926.db2.gz PWKYOISVZHVFTC-UHFFFAOYSA-N 0 0 197.185 1.102 10 0 ADAERN CC(=O)O[C@]1(Cl)CCCC[C@H]1O 238108755 573777928 /nfs/dbraw/zinc/77/79/28/573777928.db2.gz ZZJSCCLRBDQKMP-HTQZYQBOSA-N 0 0 192.642 1.420 10 0 ADAERN COc1ccc(F)c(CNO)c1 258117587 573777929 /nfs/dbraw/zinc/77/79/29/573777929.db2.gz ZRAKUAVONAYPLW-UHFFFAOYSA-N 0 0 171.171 1.313 10 0 ADAERN CNc1nc2ccc(C)cn2n1 87101614 573777932 /nfs/dbraw/zinc/77/79/32/573777932.db2.gz BUPXSGNQBCMRNW-UHFFFAOYSA-N 0 0 162.196 1.079 10 0 ADAERN Nc1ccc2c(CO)coc2c1 258118613 573777933 /nfs/dbraw/zinc/77/79/33/573777933.db2.gz UCUIOIRKRFYHJJ-UHFFFAOYSA-N 0 0 163.176 1.507 10 0 ADAERN C[C@@H]1C[C@H]1c1nnc(CN)s1 84116926 573777936 /nfs/dbraw/zinc/77/79/36/573777936.db2.gz ITSCQTACZWJKHR-RFZPGFLSSA-N 0 0 169.253 1.120 10 0 ADAERN Cc1ccc2c(=O)cc(Cl)[nH]c2n1 238513221 573777944 /nfs/dbraw/zinc/77/79/44/573777944.db2.gz DRWNHPAGYQLFDT-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN O=CC1=NO[C@@H](c2ccc(O)cc2)C1 257877208 573777959 /nfs/dbraw/zinc/77/79/59/573777959.db2.gz USNTXQJINVVNMW-SNVBAGLBSA-N 0 0 191.186 1.409 10 0 ADAERN CC(C)c1nc2c([nH]1)CCCN2 76132054 573777981 /nfs/dbraw/zinc/77/79/81/573777981.db2.gz OTGGCWWKXUABKS-UHFFFAOYSA-N 0 0 165.240 1.891 10 0 ADAERN Cc1ccc(N)cc1[C@@H]([NH3+])CC(=O)[O-] 238513576 573777994 /nfs/dbraw/zinc/77/79/94/573777994.db2.gz BLOFPVYRPYUAKO-VIFPVBQESA-N 0 0 194.234 1.052 10 0 ADAERN CC(=O)Nc1snc(C)c1N=O 238107165 573777999 /nfs/dbraw/zinc/77/79/99/573777999.db2.gz ULHKEDVYDUIRKF-UHFFFAOYSA-N 0 0 185.208 1.808 10 0 ADAERN Nc1cc(F)c2nc(N)sc2c1 108369912 573778274 /nfs/dbraw/zinc/77/82/74/573778274.db2.gz QCLLXLFHRRJDHQ-UHFFFAOYSA-N 0 0 183.211 1.600 10 0 ADAERN Cc1ccc2c(c1)C(=N)NC2=O 238512029 573778013 /nfs/dbraw/zinc/77/80/13/573778013.db2.gz GKZGKHCTVMKEKY-UHFFFAOYSA-N 0 0 160.176 1.064 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)C2)c(C)o1 238513195 573778023 /nfs/dbraw/zinc/77/80/23/573778023.db2.gz PUMNNHYSASPKFD-QMMMGPOBSA-N 0 0 179.219 1.500 10 0 ADAERN C/C=C\C[C@H]1CCC(=O)NC1=O 216988299 573778276 /nfs/dbraw/zinc/77/82/76/573778276.db2.gz SMSZPYHBYDLPTF-XDVGHUOJSA-N 0 0 167.208 1.005 10 0 ADAERN CN1C=CNc2c(O)cccc2C1=O 238513648 573778041 /nfs/dbraw/zinc/77/80/41/573778041.db2.gz TVNVBPJEJHBROK-UHFFFAOYSA-N 0 0 190.202 1.361 10 0 ADAERN Cc1cc(C(F)F)cnc1C(N)=O 238512004 573778060 /nfs/dbraw/zinc/77/80/60/573778060.db2.gz BFZHNJVMTOBJOG-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN COC(=O)[C@H](N)C[C@@H](F)C(C)(C)C 257877201 573778279 /nfs/dbraw/zinc/77/82/79/573778279.db2.gz USENUCYIJNZKAZ-RNFRBKRXSA-N 0 0 191.246 1.261 10 0 ADAERN CC(=O)[C@]12CCC[C@H](O)[C@H]1CCC2 238107952 573778280 /nfs/dbraw/zinc/77/82/80/573778280.db2.gz NEKFOKYZQSVYNT-VWYCJHECSA-N 0 0 182.263 1.907 10 0 ADAERN CC(C)(C(N)=O)[C@H]1CC[C@@](C)(O)C1 238106507 573778104 /nfs/dbraw/zinc/77/81/04/573778104.db2.gz ANBQTUIGTXNVFE-OIBJUYFYSA-N 0 0 185.267 1.049 10 0 ADAERN Cc1c(C(=O)[O-])cccc1[C@H]1CC[NH2+]1 238513035 573778143 /nfs/dbraw/zinc/77/81/43/573778143.db2.gz NFIOWNRUNHSLJP-SNVBAGLBSA-N 0 0 191.230 1.728 10 0 ADAERN CN(N)CC1CCCCC1 87100890 573778148 /nfs/dbraw/zinc/77/81/48/573778148.db2.gz TWLGMAXEBFLUJQ-UHFFFAOYSA-N 0 0 142.246 1.372 10 0 ADAERN CC(C)[C@H](O)COc1ccccc1O 258118769 573778152 /nfs/dbraw/zinc/77/81/52/573778152.db2.gz LEPZJQDKRRAIGY-SNVBAGLBSA-N 0 0 196.246 1.788 10 0 ADAERN NN1CC[C@@H]2CCCC[C@@H]2C1 87100551 573778159 /nfs/dbraw/zinc/77/81/59/573778159.db2.gz QZVRGUGTJHKJGY-DTWKUNHWSA-N 0 0 154.257 1.372 10 0 ADAERN OC[C@@H]1CCc2cc(O)ccc2C1 108369256 573778173 /nfs/dbraw/zinc/77/81/73/573778173.db2.gz WXXXHQWZICJNOM-MRVPVSSYSA-N 0 0 178.231 1.489 10 0 ADAERN Cc1c(N)nn(C)c1[C@@H]1CCCCO1 257876321 573778179 /nfs/dbraw/zinc/77/81/79/573778179.db2.gz UQCDCNDCKBRSHV-QMMMGPOBSA-N 0 0 195.266 1.552 10 0 ADAERN OCCc1cc(CF)cc2c1OCO2 258118731 573778229 /nfs/dbraw/zinc/77/82/29/573778229.db2.gz QKWBRNYFLIKWRK-UHFFFAOYSA-N 0 0 198.193 1.420 10 0 ADAERN Cc1n[nH]c(CCC(F)(F)F)n1 84123878 573778189 /nfs/dbraw/zinc/77/81/89/573778189.db2.gz HFIKYKJYDVOCPA-UHFFFAOYSA-N 0 0 179.145 1.608 10 0 ADAERN CC(C)[C@@H](O)COc1ccccc1O 258118766 573778196 /nfs/dbraw/zinc/77/81/96/573778196.db2.gz LEPZJQDKRRAIGY-JTQLQIEISA-N 0 0 196.246 1.788 10 0 ADAERN CC(C)(C)[C@]1(C)C[C@H](O)CCO1 238107694 573778200 /nfs/dbraw/zinc/77/82/00/573778200.db2.gz NBQYMRCOPRTBER-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)C1CC=CC(=O)C(=O)C1 238108072 573778210 /nfs/dbraw/zinc/77/82/10/573778210.db2.gz UCALBPWVULQMJC-VIFPVBQESA-N 0 0 166.220 1.941 10 0 ADAERN C=C/C=C/[C@@H]1CCC(=O)N1CCCO 214454889 573778283 /nfs/dbraw/zinc/77/82/83/573778283.db2.gz JXAFZLWGUUKBQU-RXNUUUNCSA-N 0 0 195.262 1.102 10 0 ADAERN CCNc1nc(N)cs1 257875925 573779340 /nfs/dbraw/zinc/77/93/40/573779340.db2.gz JFSWOKHKFCZSOA-UHFFFAOYSA-N 0 0 143.215 1.157 10 0 ADAERN COCc1nn(C)cc1NCC(C)C 308734096 573779470 /nfs/dbraw/zinc/77/94/70/573779470.db2.gz KQTUDXNKEDJEEO-UHFFFAOYSA-N 0 0 197.282 1.634 10 0 ADAERN Cc1ccc2c(c1)O[C@H](CO)C2 108367390 573779494 /nfs/dbraw/zinc/77/94/94/573779494.db2.gz HHXPVSPZXFEXBJ-VIFPVBQESA-N 0 0 164.204 1.291 10 0 ADAERN Cc1ccc(N)c([C@@H]2COCCN2)c1 76136625 573779499 /nfs/dbraw/zinc/77/94/99/573779499.db2.gz PVBVMDVVOJROQM-NSHDSACASA-N 0 0 192.262 1.238 10 0 ADAERN NN1CCC[C@H]2CCCC[C@@H]21 87100560 573779127 /nfs/dbraw/zinc/77/91/27/573779127.db2.gz TYGNBYWXADQYGC-BDAKNGLRSA-N 0 0 154.257 1.515 10 0 ADAERN Cc1cccc2c1O[C@H](CO)C2 108367381 573779134 /nfs/dbraw/zinc/77/91/34/573779134.db2.gz VOUAYWBOAQFAKL-VIFPVBQESA-N 0 0 164.204 1.291 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]1CCC[C@@H]([NH3+])C1 238106219 573779141 /nfs/dbraw/zinc/77/91/41/573779141.db2.gz TYGDIXPEPJRULI-JGVFFNPUSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1cccn2nc(NC(C)C)nc12 87101489 573779148 /nfs/dbraw/zinc/77/91/48/573779148.db2.gz FWBVCMNWILJEMP-UHFFFAOYSA-N 0 0 190.250 1.858 10 0 ADAERN CC(C)(C)[C@](C)(O)/C(Cl)=C/CO 238106139 573779163 /nfs/dbraw/zinc/77/91/63/573779163.db2.gz PCMZOZJPDRCQKM-WILPJHFFSA-N 0 0 192.686 1.899 10 0 ADAERN CC(=O)CC[P@H](C)=O 238106590 573779167 /nfs/dbraw/zinc/77/91/67/573779167.db2.gz PFBHCAWHZJCTFQ-UHFFFAOYSA-N 0 0 134.115 1.155 10 0 ADAERN COc1cc(OC)c2c(c1)OC[C@H]2O 84150730 573779506 /nfs/dbraw/zinc/77/95/06/573779506.db2.gz WJFUWVRIBFWIJQ-SSDOTTSWSA-N 0 0 196.202 1.130 10 0 ADAERN CC(=O)c1cc(O)cc2c1OCCO2 258118728 573779178 /nfs/dbraw/zinc/77/91/78/573779178.db2.gz QKRDXOOLFBQVBC-UHFFFAOYSA-N 0 0 194.186 1.366 10 0 ADAERN NN1CCC[C@@H]2CCC[C@H]21 87100657 573779181 /nfs/dbraw/zinc/77/91/81/573779181.db2.gz YSKLENCSACHPBP-JGVFFNPUSA-N 0 0 140.230 1.125 10 0 ADAERN CC(=O)c1cc(CN(C)C)co1 108367532 573779185 /nfs/dbraw/zinc/77/91/85/573779185.db2.gz JPKPGDBMWLPWOS-UHFFFAOYSA-N 0 0 167.208 1.544 10 0 ADAERN CCCC1CCN(N)CC1 87100584 573779203 /nfs/dbraw/zinc/77/92/03/573779203.db2.gz AZFNTOZPPWEDIM-UHFFFAOYSA-N 0 0 142.246 1.372 10 0 ADAERN Cc1c(Cl)cccc1[C@@H]([NH3+])C(=O)[O-] 76135430 573779211 /nfs/dbraw/zinc/77/92/11/573779211.db2.gz LRGXMEQXHIIPPF-MRVPVSSYSA-N 0 0 199.637 1.733 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N(C)N 87100823 573779215 /nfs/dbraw/zinc/77/92/15/573779215.db2.gz JVIOKFXJDYLCJB-SFYZADRCSA-N 0 0 142.246 1.371 10 0 ADAERN CN1N=C(C2CCC2)C(F)C1=O 108367736 573779273 /nfs/dbraw/zinc/77/92/73/573779273.db2.gz IBCVSKJXNZIHQG-UHFFFAOYSA-N 0 0 170.187 1.532 10 0 ADAERN Cc1cc(F)cc(C2(O)CC2)c1O 258118806 573779281 /nfs/dbraw/zinc/77/92/81/573779281.db2.gz QLOGHSHMFFAJQO-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN C=CS(=O)(=O)c1cccc(F)c1 87111903 573779282 /nfs/dbraw/zinc/77/92/82/573779282.db2.gz DJLJZPUQCQNDEB-UHFFFAOYSA-N 0 0 186.207 1.743 10 0 ADAERN COc1cc(F)cc(C(C)=O)c1O 108370021 573779296 /nfs/dbraw/zinc/77/92/96/573779296.db2.gz SQJFVWZOBOJUGD-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN OC[C@H]1CCc2c(F)cccc2C1 108369522 573779314 /nfs/dbraw/zinc/77/93/14/573779314.db2.gz PFHVGNWSXKASTF-QMMMGPOBSA-N 0 0 180.222 1.923 10 0 ADAERN CC(C)(C)OC(=O)n1cnc(N)c1 238107863 573779315 /nfs/dbraw/zinc/77/93/15/573779315.db2.gz FVGHIWWUIJYVIJ-UHFFFAOYSA-N 0 0 183.211 1.249 10 0 ADAERN Nc1ccccc1[C@H]1COC(=O)N1 108369191 573779325 /nfs/dbraw/zinc/77/93/25/573779325.db2.gz HOKBVWAOIGJNPJ-MRVPVSSYSA-N 0 0 178.191 1.050 10 0 ADAERN CC(=O)[C@]12CC[C@@H]1C(C)(C)N=N2 238108544 573779328 /nfs/dbraw/zinc/77/93/28/573779328.db2.gz VZTVKMBERNMZRJ-VXNVDRBHSA-N 0 0 166.224 1.969 10 0 ADAERN COc1ccc(F)c(C[C@@H](C)O)c1 258118510 573779360 /nfs/dbraw/zinc/77/93/60/573779360.db2.gz QGHPMBWAQAAILP-SSDOTTSWSA-N 0 0 184.210 1.758 10 0 ADAERN COc1ccc(F)c(C[C@H](C)O)c1 258118514 573779363 /nfs/dbraw/zinc/77/93/63/573779363.db2.gz QGHPMBWAQAAILP-ZETCQYMHSA-N 0 0 184.210 1.758 10 0 ADAERN C[C@@H]1C(=O)c2ccc(F)cc2[C@@H]1O 238513498 573779370 /nfs/dbraw/zinc/77/93/70/573779370.db2.gz SMUBNKMFMSPDBO-GPXNAGAYSA-N 0 0 180.178 1.692 10 0 ADAERN CC(=O)CCc1ncccc1O 238107806 573779391 /nfs/dbraw/zinc/77/93/91/573779391.db2.gz ROLZOUIFSXJFJV-UHFFFAOYSA-N 0 0 165.192 1.309 10 0 ADAERN CC(=O)c1cc(C)c2c(c1)OCO2 108369154 573779395 /nfs/dbraw/zinc/77/93/95/573779395.db2.gz GCYLXCIUWNCOOT-UHFFFAOYSA-N 0 0 178.187 1.926 10 0 ADAERN CC(=O)O[C@@H]1C=Cc2cocc2C1 238106433 573779398 /nfs/dbraw/zinc/77/93/98/573779398.db2.gz PBNKNXMTVNOTHU-SNVBAGLBSA-N 0 0 178.187 1.781 10 0 ADAERN O[C@H]1COc2cc3c(cc21)CCCC3 84150809 573779403 /nfs/dbraw/zinc/77/94/03/573779403.db2.gz PVOZHJWMDIEXAQ-NSHDSACASA-N 0 0 190.242 1.991 10 0 ADAERN Cc1ccc(F)c2c1[C@@H](O)[C@@H](C)O2 84150951 573779420 /nfs/dbraw/zinc/77/94/20/573779420.db2.gz FEQTZUSQOYHBLP-MUWHJKNJSA-N 0 0 182.194 1.948 10 0 ADAERN C[C@@H](O)C(F)(F)CC1CCOCC1 257875462 573779444 /nfs/dbraw/zinc/77/94/44/573779444.db2.gz ULYQTTJJBZXOLV-SSDOTTSWSA-N 0 0 194.221 1.819 10 0 ADAERN CC(C)(C(N)=O)[C@H]1CC[C@](C)(O)C1 238106686 573779445 /nfs/dbraw/zinc/77/94/45/573779445.db2.gz ANBQTUIGTXNVFE-XVKPBYJWSA-N 0 0 185.267 1.049 10 0 ADAERN Cc1ccc(F)c2c1[C@H](O)CO2 84150946 573779453 /nfs/dbraw/zinc/77/94/53/573779453.db2.gz BKAQUMQNBVBRPQ-SSDOTTSWSA-N 0 0 168.167 1.560 10 0 ADAERN CC(=O)CC[C@]1(C)OC1(C)C 238106427 573779454 /nfs/dbraw/zinc/77/94/54/573779454.db2.gz LTEBYLYINUYIRN-VIFPVBQESA-N 0 0 156.225 1.923 10 0 ADAERN CCOc1ccc2c(c1)[C@H](O)CO2 84150324 573779523 /nfs/dbraw/zinc/77/95/23/573779523.db2.gz JCIQZBGRDHZJRQ-SECBINFHSA-N 0 0 180.203 1.511 10 0 ADAERN OCc1nc2cnccc2n1C1CC1 84148894 573779529 /nfs/dbraw/zinc/77/95/29/573779529.db2.gz GAXVHGGJWSMCHJ-UHFFFAOYSA-N 0 0 189.218 1.259 10 0 ADAERN Cc1c(F)cc(F)cc1C(=O)CN 108370303 573779550 /nfs/dbraw/zinc/77/95/50/573779550.db2.gz XWLYCHDBOVHTLO-UHFFFAOYSA-N 0 0 185.173 1.415 10 0 ADAERN COc1cccc2c1OC[C@H]2O 84149994 573779555 /nfs/dbraw/zinc/77/95/55/573779555.db2.gz UMYNVFAXCHPVKH-SSDOTTSWSA-N 0 0 166.176 1.121 10 0 ADAERN CC(=O)[C@]12CCC[C@H]1CC[C@@H](O)C2 238108111 573779556 /nfs/dbraw/zinc/77/95/56/573779556.db2.gz OJAORKZIQZPXIC-HBNTYKKESA-N 0 0 182.263 1.907 10 0 ADAERN O=Cc1ccc2sc(=O)oc2c1 108369476 573779564 /nfs/dbraw/zinc/77/95/64/573779564.db2.gz UHNATWKFKVDNGD-UHFFFAOYSA-N 0 0 180.184 1.667 10 0 ADAERN O[C@@H]1COc2c(Cl)cc(F)cc21 84150772 573780218 /nfs/dbraw/zinc/78/02/18/573780218.db2.gz WCOYYGBLGAXSBE-SSDOTTSWSA-N 0 0 188.585 1.905 10 0 ADAERN O=c1ccccn1CCCC(F)F 688741743 573779575 /nfs/dbraw/zinc/77/95/75/573779575.db2.gz WWXAKTFGRRADGU-UHFFFAOYSA-N 0 0 187.189 1.894 10 0 ADAERN Cc1cccc2c1O[C@@H](C)[C@H]2O 84150038 573779595 /nfs/dbraw/zinc/77/95/95/573779595.db2.gz RGMFZTOMISFFNQ-IONNQARKSA-N 0 0 164.204 1.809 10 0 ADAERN CC[C@@H]1Oc2ccccc2[C@@H]1O 84150049 573779605 /nfs/dbraw/zinc/77/96/05/573779605.db2.gz WUJRLJWKRZDYAB-WPRPVWTQSA-N 0 0 164.204 1.891 10 0 ADAERN CC(=O)CCc1ccc(F)nc1 238107421 573779619 /nfs/dbraw/zinc/77/96/19/573779619.db2.gz FGXMHUILBDUVQR-UHFFFAOYSA-N 0 0 167.183 1.742 10 0 ADAERN CC(C)(C)[C@]1(C)C[C@@H](O)CCO1 238107613 573779627 /nfs/dbraw/zinc/77/96/27/573779627.db2.gz NBQYMRCOPRTBER-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CCOc1cccc2c1OC[C@H]2O 84150394 573779631 /nfs/dbraw/zinc/77/96/31/573779631.db2.gz DCUDYPOOUZGELH-MRVPVSSYSA-N 0 0 180.203 1.511 10 0 ADAERN Nc1nocc1-c1ccccc1O 257876748 573779632 /nfs/dbraw/zinc/77/96/32/573779632.db2.gz ZOXLCEFNKHLQFW-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN O[C@H]1CCc2nc(C3CC3)[nH]c2C1 257877046 573779637 /nfs/dbraw/zinc/77/96/37/573779637.db2.gz FFFNLIMBJPOEJI-ZETCQYMHSA-N 0 0 178.235 1.137 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1O)OCO2 258118609 573779645 /nfs/dbraw/zinc/77/96/45/573779645.db2.gz QIAVBVRNRDMIAC-LURJTMIESA-N 0 0 196.202 1.044 10 0 ADAERN CC1(C)CCCN(N)CC1 87100653 573779648 /nfs/dbraw/zinc/77/96/48/573779648.db2.gz IDAIPIVAQWGTLI-UHFFFAOYSA-N 0 0 142.246 1.372 10 0 ADAERN Nc1cc(-c2cccc(F)c2O)[nH]n1 258118653 573779662 /nfs/dbraw/zinc/77/96/62/573779662.db2.gz QJPYPUWHEYCZIX-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN CCCc1nnsc1[C@@H](C)NN 127168719 573779663 /nfs/dbraw/zinc/77/96/63/573779663.db2.gz XSWZYFJNDBZROW-RXMQYKEDSA-N 0 0 186.284 1.015 10 0 ADAERN Cc1ccc(F)c([C@H]2COCCN2)c1 76136548 573779666 /nfs/dbraw/zinc/77/96/66/573779666.db2.gz HGQLVQFGYBHIIH-LLVKDONJSA-N 0 0 195.237 1.795 10 0 ADAERN CC(=O)[C@]12CCC[C@H]1C[C@@H](O)C2 238108176 573779669 /nfs/dbraw/zinc/77/96/69/573779669.db2.gz VTSYKYCUMKRLGJ-IVZWLZJFSA-N 0 0 168.236 1.517 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@H](C)[C@H]2O 238513520 573779675 /nfs/dbraw/zinc/77/96/75/573779675.db2.gz BYQYZTCNQVADSP-OIBJUYFYSA-N 0 0 176.215 1.861 10 0 ADAERN C[C@H]1Oc2c(F)cc(F)cc2[C@@H]1O 84150200 573779684 /nfs/dbraw/zinc/77/96/84/573779684.db2.gz SLKITLQLZDCQKG-SPGJFGJESA-N 0 0 186.157 1.779 10 0 ADAERN Cc1coc(-c2cc(C)nc(N)n2)c1 716170186 573779688 /nfs/dbraw/zinc/77/96/88/573779688.db2.gz STNQCKKEJWFUQU-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN O[C@@H]1COc2c(F)cc(F)cc21 84150196 573779708 /nfs/dbraw/zinc/77/97/08/573779708.db2.gz KUEXCURCKPODHP-SSDOTTSWSA-N 0 0 172.130 1.391 10 0 ADAERN CCc1cc(CCO)c(OC)cc1F 258129298 573779711 /nfs/dbraw/zinc/77/97/11/573779711.db2.gz MXAUYYFJJBAYHI-UHFFFAOYSA-N 0 0 198.237 1.932 10 0 ADAERN CC(=O)O[C@]12C=CC=C[C@@H]1CC2=O 238108869 573779713 /nfs/dbraw/zinc/77/97/13/573779713.db2.gz MOKHJDOBPKKWAQ-PSASIEDQSA-N 0 0 178.187 1.003 10 0 ADAERN C[C@@H]1Oc2c(F)cc(F)cc2[C@@H]1O 84150201 573779745 /nfs/dbraw/zinc/77/97/45/573779745.db2.gz SLKITLQLZDCQKG-RNHFCUEFSA-N 0 0 186.157 1.779 10 0 ADAERN CC(=O)Nc1cc(C)c2n[nH]nc2c1 238108314 573779755 /nfs/dbraw/zinc/77/97/55/573779755.db2.gz PDRLDOHKFFIWNY-UHFFFAOYSA-N 0 0 190.206 1.225 10 0 ADAERN C[C@@H]1CCC[C@H](N(C)N)C1 87100773 573779756 /nfs/dbraw/zinc/77/97/56/573779756.db2.gz CLOGUCOBHNICQN-SFYZADRCSA-N 0 0 142.246 1.371 10 0 ADAERN Nc1cccc([C@H]2COC(=O)N2)c1 108369183 573779768 /nfs/dbraw/zinc/77/97/68/573779768.db2.gz KRORRIACIUCFES-MRVPVSSYSA-N 0 0 178.191 1.050 10 0 ADAERN Cc1cccc2nc(NC(C)C)nn12 87101487 573779771 /nfs/dbraw/zinc/77/97/71/573779771.db2.gz DEBSFGBLIRXCKW-UHFFFAOYSA-N 0 0 190.250 1.858 10 0 ADAERN C[C@H]1CCCC[C@H]1N(C)N 87100829 573779796 /nfs/dbraw/zinc/77/97/96/573779796.db2.gz JVIOKFXJDYLCJB-JGVFFNPUSA-N 0 0 142.246 1.371 10 0 ADAERN OC[C@@H]1CCc2ccc(F)cc2C1 108369532 573779812 /nfs/dbraw/zinc/77/98/12/573779812.db2.gz TWRYKAKOQOZJSH-MRVPVSSYSA-N 0 0 180.222 1.923 10 0 ADAERN CC(C)(C)C1=NNC(=O)C1F 108366861 573779821 /nfs/dbraw/zinc/77/98/21/573779821.db2.gz ORKVBNDNFJBPOL-UHFFFAOYSA-N 0 0 158.176 1.552 10 0 ADAERN O[C@H]1CCOc2cc3c(cc21)OCO3 84150412 573779824 /nfs/dbraw/zinc/77/98/24/573779824.db2.gz RMEHVCPAIWOUJT-ZETCQYMHSA-N 0 0 194.186 1.231 10 0 ADAERN C[C@]1(CO)Cc2ccc(F)cc2O1 108369789 573779832 /nfs/dbraw/zinc/77/98/32/573779832.db2.gz KADZQNADJZFLHS-SNVBAGLBSA-N 0 0 182.194 1.512 10 0 ADAERN CC(C)(C(N)=O)[C@@H]1C=CCC1 238105890 573779834 /nfs/dbraw/zinc/77/98/34/573779834.db2.gz NJNMNRFIJVUUGV-SSDOTTSWSA-N 0 0 153.225 1.464 10 0 ADAERN Cc1cccc(C)c1OC(=O)NCO 238512172 573779836 /nfs/dbraw/zinc/77/98/36/573779836.db2.gz YRBCMMFZJUAHBW-UHFFFAOYSA-N 0 0 195.218 1.342 10 0 ADAERN C[C@@H]1Oc2cc3c(cc2[C@H]1O)OCO3 84150418 573779837 /nfs/dbraw/zinc/77/98/37/573779837.db2.gz TXTILFUYGYYIFJ-RRAGMBSWSA-N 0 0 194.186 1.230 10 0 ADAERN CC(=O)[C@]12CC[C@H]1C(C)(C)N=N2 238109128 573779839 /nfs/dbraw/zinc/77/98/39/573779839.db2.gz VZTVKMBERNMZRJ-IONNQARKSA-N 0 0 166.224 1.969 10 0 ADAERN COC(=O)[C@H](N)[C@@H](F)C1CCCC1 257875527 573779846 /nfs/dbraw/zinc/77/98/46/573779846.db2.gz UMHKJHXWAMJZDK-JGVFFNPUSA-N 0 0 189.230 1.015 10 0 ADAERN NOCc1cc(CF)cc(F)c1F 258118550 573779848 /nfs/dbraw/zinc/77/98/48/573779848.db2.gz QHACYNFZAADWCW-UHFFFAOYSA-N 0 0 191.152 1.825 10 0 ADAERN COc1ccc2c(c1)O[C@@H](C)[C@H]2O 84150959 573780986 /nfs/dbraw/zinc/78/09/86/573780986.db2.gz XUKQMIVIQLNEFP-QUBYGPBYSA-N 0 0 180.203 1.510 10 0 ADAERN CC(=O)c1ncc2c(n1)CCSC2 257876308 573779883 /nfs/dbraw/zinc/77/98/83/573779883.db2.gz UPYHWXGJUORNMT-UHFFFAOYSA-N 0 0 194.259 1.469 10 0 ADAERN COCc1cc2cc(N)ccc2n1C 258118551 573779885 /nfs/dbraw/zinc/77/98/85/573779885.db2.gz UBMZSWQPQYSFBK-UHFFFAOYSA-N 0 0 190.246 1.907 10 0 ADAERN COc1cc(C)cc2c1O[C@@H](C)[C@@H]2O 84149984 573779895 /nfs/dbraw/zinc/77/98/95/573779895.db2.gz KDBLBSKSPURKJB-XVKPBYJWSA-N 0 0 194.230 1.818 10 0 ADAERN CC[C@@H]1Oc2ccc(OC)cc2[C@H]1O 84150069 573779902 /nfs/dbraw/zinc/77/99/02/573779902.db2.gz UGEGKAGTLBXEPU-GXSJLCMTSA-N 0 0 194.230 1.900 10 0 ADAERN CC(=O)[C@@]12CCC(=O)C[C@H]1CC2 238108628 573779914 /nfs/dbraw/zinc/77/99/14/573779914.db2.gz NUOPAUGUYUPNLF-PSASIEDQSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@H]1Oc2cc3c(cc2[C@H]1O)CCC3 84150315 573779916 /nfs/dbraw/zinc/77/99/16/573779916.db2.gz XHEKBADCABVFPQ-MADCSZMMSA-N 0 0 190.242 1.990 10 0 ADAERN CC[C@H](CN[C@H]1CCOC1=O)C(C)C 308733370 573779922 /nfs/dbraw/zinc/77/99/22/573779922.db2.gz KMECRAKLPBNACR-ZJUUUORDSA-N 0 0 199.294 1.574 10 0 ADAERN OC[C@@H]1CCc2c(F)cccc2C1 108369527 573779931 /nfs/dbraw/zinc/77/99/31/573779931.db2.gz PFHVGNWSXKASTF-MRVPVSSYSA-N 0 0 180.222 1.923 10 0 ADAERN O[C@H]1COc2c(Cl)cc(F)cc21 84150773 573779950 /nfs/dbraw/zinc/77/99/50/573779950.db2.gz WCOYYGBLGAXSBE-ZETCQYMHSA-N 0 0 188.585 1.905 10 0 ADAERN CN(CC(F)(F)F)C(=O)N1CCC1 308436676 573779961 /nfs/dbraw/zinc/77/99/61/573779961.db2.gz WXGATYKXTDIZRM-UHFFFAOYSA-N 0 0 196.172 1.306 10 0 ADAERN CC[C@]1(C)NC(=O)N(C(C)C)C1=O 84147718 573779968 /nfs/dbraw/zinc/77/99/68/573779968.db2.gz MFKQSCKWTRJGHD-VIFPVBQESA-N 0 0 184.239 1.115 10 0 ADAERN Cc1nc(C)c(F)cc1O 238511977 573780000 /nfs/dbraw/zinc/78/00/00/573780000.db2.gz OYBVFLCIHQWNBR-UHFFFAOYSA-N 0 0 141.145 1.543 10 0 ADAERN CC(=O)CC[C@]1(C)C=COC1=O 238106331 573780004 /nfs/dbraw/zinc/78/00/04/573780004.db2.gz CBZSOYSQCKJSBF-SECBINFHSA-N 0 0 168.192 1.432 10 0 ADAERN C[C@@H]1Oc2ccccc2[C@H]1O 84150043 573780010 /nfs/dbraw/zinc/78/00/10/573780010.db2.gz XUZKZBRHLRIAHL-RCOVLWMOSA-N 0 0 150.177 1.501 10 0 ADAERN Cc1ccc(F)c2c1[C@H](O)[C@@H](C)O2 84150950 573780020 /nfs/dbraw/zinc/78/00/20/573780020.db2.gz FEQTZUSQOYHBLP-HZGVNTEJSA-N 0 0 182.194 1.948 10 0 ADAERN COc1cccc2c1O[C@H](C)[C@@H]2O 84149995 573780028 /nfs/dbraw/zinc/78/00/28/573780028.db2.gz XRGVJPZGORQTCZ-MUWHJKNJSA-N 0 0 180.203 1.510 10 0 ADAERN C[C@H]1SC(=O)NC1=S 238511992 573780032 /nfs/dbraw/zinc/78/00/32/573780032.db2.gz LVTUTASYDOMGCB-UWTATZPHSA-N 0 0 147.224 1.159 10 0 ADAERN Cc1cc(C)c2c(c1)OC[C@@H]2O 84150094 573780057 /nfs/dbraw/zinc/78/00/57/573780057.db2.gz DJRJUGXQSIHYKC-QMMMGPOBSA-N 0 0 164.204 1.729 10 0 ADAERN Cc1ccc2c(c1C)OC[C@H]2O 84150241 573780072 /nfs/dbraw/zinc/78/00/72/573780072.db2.gz OYGKIBCDOJXSBJ-SECBINFHSA-N 0 0 164.204 1.729 10 0 ADAERN CC[C@H]1Oc2c(OC)cccc2[C@@H]1O 84150001 573780080 /nfs/dbraw/zinc/78/00/80/573780080.db2.gz YOQBZYRFZQLKBH-SCZZXKLOSA-N 0 0 194.230 1.900 10 0 ADAERN C[C@H]1Oc2c(F)cccc2[C@H]1O 84150007 573780938 /nfs/dbraw/zinc/78/09/38/573780938.db2.gz XJYNJWHJXZCCGT-XRGYYRRGSA-N 0 0 168.167 1.640 10 0 ADAERN Cc1cc2c(cc1C)[C@@H](O)CO2 84150222 573780089 /nfs/dbraw/zinc/78/00/89/573780089.db2.gz KXQGMBUFFWVJRK-VIFPVBQESA-N 0 0 164.204 1.729 10 0 ADAERN CCCNc1nc2c(C)cccn2n1 87101471 573780096 /nfs/dbraw/zinc/78/00/96/573780096.db2.gz WZCWGEOPQXPXAB-UHFFFAOYSA-N 0 0 190.250 1.860 10 0 ADAERN COc1cc(OC)c2c(c1)OC[C@@H]2O 84150731 573780103 /nfs/dbraw/zinc/78/01/03/573780103.db2.gz WJFUWVRIBFWIJQ-ZETCQYMHSA-N 0 0 196.202 1.130 10 0 ADAERN Cc1cc(C)c2c(c1)OC[C@H]2O 84150095 573780111 /nfs/dbraw/zinc/78/01/11/573780111.db2.gz DJRJUGXQSIHYKC-MRVPVSSYSA-N 0 0 164.204 1.729 10 0 ADAERN C[C@H]1Sc2nccnc2N[C@]1(C)O 238511913 573780114 /nfs/dbraw/zinc/78/01/14/573780114.db2.gz BJGMHNJRQKGRMD-SVGQVSJJSA-N 0 0 197.263 1.091 10 0 ADAERN Cc1cn(C)c(C[NH2+]C2CCCC2)n1 257875775 573780123 /nfs/dbraw/zinc/78/01/23/573780123.db2.gz JASMYBRGWPCSAM-UHFFFAOYSA-N 0 0 193.294 1.761 10 0 ADAERN C[C@@H]1Oc2cc3c(cc2[C@@H]1O)OCO3 84150420 573780134 /nfs/dbraw/zinc/78/01/34/573780134.db2.gz TXTILFUYGYYIFJ-XUOSJQGZSA-N 0 0 194.186 1.230 10 0 ADAERN OC[C@@H]1Cc2cccc(F)c2O1 108367586 573780142 /nfs/dbraw/zinc/78/01/42/573780142.db2.gz UWOCHNNRMCCPTF-ZETCQYMHSA-N 0 0 168.167 1.122 10 0 ADAERN CCNc1nc2cccc(C)n2n1 87101639 573780164 /nfs/dbraw/zinc/78/01/64/573780164.db2.gz OJZALFNMBGOAIA-UHFFFAOYSA-N 0 0 176.223 1.470 10 0 ADAERN COc1cc(C)cc2c1O[C@@H](C)[C@H]2O 84149986 573780167 /nfs/dbraw/zinc/78/01/67/573780167.db2.gz KDBLBSKSPURKJB-OIBJUYFYSA-N 0 0 194.230 1.818 10 0 ADAERN Cc1nc2occc(=O)c2o1 238512805 573780169 /nfs/dbraw/zinc/78/01/69/573780169.db2.gz FIOYKSPPSCWVTO-UHFFFAOYSA-N 0 0 151.121 1.089 10 0 ADAERN OCCC1(c2cccc(F)c2)COC1 258939759 573780178 /nfs/dbraw/zinc/78/01/78/573780178.db2.gz YALUMHFZGATPCD-UHFFFAOYSA-N 0 0 196.221 1.476 10 0 ADAERN CCCCCN(N)C(C)C 87100815 573780185 /nfs/dbraw/zinc/78/01/85/573780185.db2.gz CCKKZSXFQYUCLV-UHFFFAOYSA-N 0 0 144.262 1.761 10 0 ADAERN Cc1cc(C)c2c(c1)[C@H](O)CO2 84150530 573780191 /nfs/dbraw/zinc/78/01/91/573780191.db2.gz UCWSCUMDCZCGLS-SECBINFHSA-N 0 0 164.204 1.729 10 0 ADAERN COC[C@@H]1Cc2cc(F)ccc2C[NH2+]1 257875553 573780222 /nfs/dbraw/zinc/78/02/22/573780222.db2.gz UMPBXGDQHNDFEG-NSHDSACASA-N 0 0 195.237 1.486 10 0 ADAERN O[C@@H]1COc2cc3c(cc21)CCC3 84150312 573780224 /nfs/dbraw/zinc/78/02/24/573780224.db2.gz KXSHRKZEHQAGJJ-SNVBAGLBSA-N 0 0 176.215 1.601 10 0 ADAERN Cc1cccc2c1O[C@@H](CO)C2 108367386 573780230 /nfs/dbraw/zinc/78/02/30/573780230.db2.gz VOUAYWBOAQFAKL-SECBINFHSA-N 0 0 164.204 1.291 10 0 ADAERN OCCc1cc2c(cc1CF)OCO2 258118593 573780234 /nfs/dbraw/zinc/78/02/34/573780234.db2.gz QHWISDHNTRMULJ-UHFFFAOYSA-N 0 0 198.193 1.420 10 0 ADAERN CCNc1nc2cc(C)ccn2n1 87101638 573780238 /nfs/dbraw/zinc/78/02/38/573780238.db2.gz JZIAREZCSNLGRO-UHFFFAOYSA-N 0 0 176.223 1.470 10 0 ADAERN C[C@@H]1C(=O)[C@@]2(C)O[C@@]2(C)[C@@H]1C 238512413 573780241 /nfs/dbraw/zinc/78/02/41/573780241.db2.gz VQBPXBBRWGGKTC-JWIUVKOKSA-N 0 0 154.209 1.389 10 0 ADAERN O=Cc1ccc2oc(=O)sc2c1 108369479 573780253 /nfs/dbraw/zinc/78/02/53/573780253.db2.gz FHWKFKCQOOINMA-UHFFFAOYSA-N 0 0 180.184 1.667 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)[C@H](C)O2 84150065 573780255 /nfs/dbraw/zinc/78/02/55/573780255.db2.gz PKOTUQPHSKRPJE-WKEGUHRASA-N 0 0 180.203 1.510 10 0 ADAERN Nc1cc(F)ccc1C[C@@H]1CCOC1 257876241 573780256 /nfs/dbraw/zinc/78/02/56/573780256.db2.gz UNJFYVQERUPDNC-QMMMGPOBSA-N 0 0 195.237 1.987 10 0 ADAERN Cc1cc2c(c(C3(O)CC3)c1)OCO2 258118587 573780261 /nfs/dbraw/zinc/78/02/61/573780261.db2.gz QHPBNQCBCITKGL-UHFFFAOYSA-N 0 0 192.214 1.705 10 0 ADAERN O=CC1=NO[C@H](c2ccc(O)cc2)C1 257877207 573780281 /nfs/dbraw/zinc/78/02/81/573780281.db2.gz USNTXQJINVVNMW-JTQLQIEISA-N 0 0 191.186 1.409 10 0 ADAERN C[C@@]12C=CC[C@@](CO)(CCCC1)[C@@H]2O 238512285 573780284 /nfs/dbraw/zinc/78/02/84/573780284.db2.gz LZLVWKYWJUONIJ-GRYCIOLGSA-N 0 0 196.290 1.866 10 0 ADAERN C=C/C=C\[C@@H]1CCC(=O)N1CCCO 214454834 573780303 /nfs/dbraw/zinc/78/03/03/573780303.db2.gz JXAFZLWGUUKBQU-TZGMSPROSA-N 0 0 195.262 1.102 10 0 ADAERN Cc1cn(C)c(=O)c2cc(N)ccc12 258118480 573780313 /nfs/dbraw/zinc/78/03/13/573780313.db2.gz JTKQBNCOOMLXNF-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN NN1CC[C@@H]2CCCC[C@H]2C1 87100553 573780322 /nfs/dbraw/zinc/78/03/22/573780322.db2.gz QZVRGUGTJHKJGY-IUCAKERBSA-N 0 0 154.257 1.372 10 0 ADAERN Cn1cccc1[C@H]1CCCC1=O 238513141 573780326 /nfs/dbraw/zinc/78/03/26/573780326.db2.gz AMJFQUFMSUNVHZ-MRVPVSSYSA-N 0 0 163.220 1.862 10 0 ADAERN O[C@@H]1COc2c(F)cccc21 84150006 573780332 /nfs/dbraw/zinc/78/03/32/573780332.db2.gz YIHJHVSDENEPEU-SSDOTTSWSA-N 0 0 154.140 1.252 10 0 ADAERN Cc1ccc([C@H](C)CO)c(O)c1F 258118770 573780345 /nfs/dbraw/zinc/78/03/45/573780345.db2.gz QLHLQGXTKXZLGA-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN Cc1nc(C)c(NO)c(Cl)c1N 238512475 573780352 /nfs/dbraw/zinc/78/03/52/573780352.db2.gz REMPZPKPPDBTGI-UHFFFAOYSA-N 0 0 187.630 1.735 10 0 ADAERN COCc1cc(C(C)=O)n(C)c1 108367526 573780358 /nfs/dbraw/zinc/78/03/58/573780358.db2.gz KCPDAVLQZMNIQB-UHFFFAOYSA-N 0 0 167.208 1.374 10 0 ADAERN Cc1ccc2c(=O)c(CO)coc2c1 238512902 573780360 /nfs/dbraw/zinc/78/03/60/573780360.db2.gz BNOYGHCNJWNIPJ-UHFFFAOYSA-N 0 0 190.198 1.594 10 0 ADAERN CC[C@H]1Oc2cc(OC)ccc2[C@H]1O 84150960 573780361 /nfs/dbraw/zinc/78/03/61/573780361.db2.gz UXCLCUWIHZMTFS-MWLCHTKSSA-N 0 0 194.230 1.900 10 0 ADAERN [NH3+][C@@H](CCCC(=O)[O-])c1cc[nH]c1 259569856 573780370 /nfs/dbraw/zinc/78/03/70/573780370.db2.gz YLPQEJWMFWAZOP-QMMMGPOBSA-N 0 0 182.223 1.269 10 0 ADAERN S=c1[nH]c2c([nH]1)NCCC2 76131779 573780374 /nfs/dbraw/zinc/78/03/74/573780374.db2.gz UFQXSPUECOUYLO-UHFFFAOYSA-N 0 0 155.226 1.430 10 0 ADAERN O[C@H]1COc2cc3c(cc21)CCC3 84150313 573780391 /nfs/dbraw/zinc/78/03/91/573780391.db2.gz KXSHRKZEHQAGJJ-JTQLQIEISA-N 0 0 176.215 1.601 10 0 ADAERN CC1CCC(N(C)N)CC1 87100856 573780392 /nfs/dbraw/zinc/78/03/92/573780392.db2.gz MNIDOTJHVSOEBB-UHFFFAOYSA-N 0 0 142.246 1.371 10 0 ADAERN CC(=O)Nc1sccc1C=O 238107020 573780393 /nfs/dbraw/zinc/78/03/93/573780393.db2.gz UOVKTMVWAANVLM-UHFFFAOYSA-N 0 0 169.205 1.519 10 0 ADAERN O[C@@H]1COc2c(Cl)cccc21 84150075 573780415 /nfs/dbraw/zinc/78/04/15/573780415.db2.gz GRFBRLOHRFCDOC-SSDOTTSWSA-N 0 0 170.595 1.766 10 0 ADAERN Cn1cccc1[C@H]([NH3+])C(C)(C)C(=O)[O-] 238512734 573780416 /nfs/dbraw/zinc/78/04/16/573780416.db2.gz NSABWAZEOQUUCD-QMMMGPOBSA-N 0 0 196.250 1.136 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)[C@H](C)O2 84150025 573780420 /nfs/dbraw/zinc/78/04/20/573780420.db2.gz BDRQZXZRCDMMPZ-OIBJUYFYSA-N 0 0 164.204 1.809 10 0 ADAERN OC[C@H]1Cc2ccc(Cl)cc2O1 108370290 573780440 /nfs/dbraw/zinc/78/04/40/573780440.db2.gz WEVPVZMJEYAFKM-MRVPVSSYSA-N 0 0 184.622 1.636 10 0 ADAERN NN1CCC[C@H]2CCCC[C@H]21 87100557 573780452 /nfs/dbraw/zinc/78/04/52/573780452.db2.gz TYGNBYWXADQYGC-RKDXNWHRSA-N 0 0 154.257 1.515 10 0 ADAERN COCCc1ccc2c(c1)[C@H](O)CO2 84150658 573780463 /nfs/dbraw/zinc/78/04/63/573780463.db2.gz LBJSJXUUUQPVCW-SNVBAGLBSA-N 0 0 194.230 1.301 10 0 ADAERN CCCOc1ccc2c(c1)[C@H](O)CO2 84150338 573780466 /nfs/dbraw/zinc/78/04/66/573780466.db2.gz QFQHGHHBSOJJAZ-SNVBAGLBSA-N 0 0 194.230 1.901 10 0 ADAERN CC(=O)O[C@H]1Cc2ccc(O)cc2C1 238106397 573780467 /nfs/dbraw/zinc/78/04/67/573780467.db2.gz YTGPNNGBWPDIHW-NSHDSACASA-N 0 0 192.214 1.423 10 0 ADAERN CCCCN(N)[C@@H](C)CC 87100892 573780468 /nfs/dbraw/zinc/78/04/68/573780468.db2.gz PVEZIYPCYKERCP-QMMMGPOBSA-N 0 0 144.262 1.761 10 0 ADAERN CCC(=O)C[C@H](C)[C@H](C)O 87131716 573788637 /nfs/dbraw/zinc/78/86/37/573788637.db2.gz VZPXZAOPDGPOMM-BQBZGAKWSA-N 0 0 144.214 1.373 10 0 ADAERN C[C@]12CCCO[C@@H]1CCCC2=O 238513226 573780471 /nfs/dbraw/zinc/78/04/71/573780471.db2.gz OHNFXOHRPQEXHY-NXEZZACHSA-N 0 0 168.236 1.925 10 0 ADAERN CC(C)(CO)c1ccc(F)cc1C=O 258118635 573780477 /nfs/dbraw/zinc/78/04/77/573780477.db2.gz QIYQVLQCYFIMBM-UHFFFAOYSA-N 0 0 196.221 1.908 10 0 ADAERN COc1cc(F)c(C(C)=O)cc1O 108370026 573780479 /nfs/dbraw/zinc/78/04/79/573780479.db2.gz LMPMASWXLWVFSY-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN O[C@@H]1COc2cc(F)cc(F)c21 84150855 573780480 /nfs/dbraw/zinc/78/04/80/573780480.db2.gz ZPGUAHWUWJPGLM-ZCFIWIBFSA-N 0 0 172.130 1.391 10 0 ADAERN O=Cc1cnc([C@H]2CCCCN2)o1 258129204 573780989 /nfs/dbraw/zinc/78/09/89/573780989.db2.gz PEQILOWYPQSZSR-MRVPVSSYSA-N 0 0 180.207 1.302 10 0 ADAERN O=C([S-])CCC1=CCC[NH2+]C1 257875888 573780489 /nfs/dbraw/zinc/78/04/89/573780489.db2.gz DVDWKGWUYNICEL-UHFFFAOYSA-N 0 0 171.265 1.143 10 0 ADAERN CCOc1cccc2c1O[C@H](C)[C@H]2O 84150397 573780497 /nfs/dbraw/zinc/78/04/97/573780497.db2.gz JFCUDKYEUOSOBD-GMSGAONNSA-N 0 0 194.230 1.900 10 0 ADAERN O=Cc1cc(F)c2[nH]c(=O)oc2c1 108369597 573780514 /nfs/dbraw/zinc/78/05/14/573780514.db2.gz QJSIJTSZHPOENA-UHFFFAOYSA-N 0 0 181.122 1.073 10 0 ADAERN CNOc1cccc(F)c1 257875766 573780520 /nfs/dbraw/zinc/78/05/20/573780520.db2.gz DSOOTWATLFEYIE-UHFFFAOYSA-N 0 0 141.145 1.339 10 0 ADAERN CC(C)[C@H]1CCCN(N)CC1 87100902 573780530 /nfs/dbraw/zinc/78/05/30/573780530.db2.gz VSBXJRTUYBMTKW-VIFPVBQESA-N 0 0 156.273 1.618 10 0 ADAERN CC[C@@H](CN[C@@H]1CCOC1=O)C(C)C 308733367 573780537 /nfs/dbraw/zinc/78/05/37/573780537.db2.gz KMECRAKLPBNACR-VHSXEESVSA-N 0 0 199.294 1.574 10 0 ADAERN O[C@H]1COc2c1ccc(F)c2F 84150869 573780560 /nfs/dbraw/zinc/78/05/60/573780560.db2.gz DGOUUIKGDBORIJ-LURJTMIESA-N 0 0 172.130 1.391 10 0 ADAERN CC(C)C1=NN(C)C(=O)C1F 108366854 573780569 /nfs/dbraw/zinc/78/05/69/573780569.db2.gz NSQSCQHCUAPEAZ-UHFFFAOYSA-N 0 0 158.176 1.388 10 0 ADAERN Oc1ccc2nc(C3CC3)nn2c1 258118041 573780573 /nfs/dbraw/zinc/78/05/73/573780573.db2.gz ZHZISBZNBBDRMN-UHFFFAOYSA-N 0 0 175.191 1.312 10 0 ADAERN CCCN1C(=O)N[C@](C)(CC)C1=O 84147720 573780574 /nfs/dbraw/zinc/78/05/74/573780574.db2.gz MVHJGOHZIFIGOY-SECBINFHSA-N 0 0 184.239 1.117 10 0 ADAERN CC(=O)[C@]12CCC[C@H]1CN=N2 238108144 573780575 /nfs/dbraw/zinc/78/05/75/573780575.db2.gz STHGBPBJNGYFMJ-JGVFFNPUSA-N 0 0 152.197 1.580 10 0 ADAERN Cc1ccc2c(=O)[nH]c(=O)oc2c1C 238512118 573780581 /nfs/dbraw/zinc/78/05/81/573780581.db2.gz WHORPGDHLDSGCI-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)CO2 84150023 573780582 /nfs/dbraw/zinc/78/05/82/573780582.db2.gz BBDKIQDSKKQSPA-MRVPVSSYSA-N 0 0 150.177 1.421 10 0 ADAERN C[C@H](O)c1nc2cnccc2n1C 84148881 573780590 /nfs/dbraw/zinc/78/05/90/573780590.db2.gz IYPNCJPFKUWPAY-LURJTMIESA-N 0 0 177.207 1.022 10 0 ADAERN CC(=O)N/C(C)=C/C(=O)OC(C)(C)C 100223635 573780613 /nfs/dbraw/zinc/78/06/13/573780613.db2.gz ULJVZYWTVPCODC-VOTSOKGWSA-N 0 0 199.250 1.368 10 0 ADAERN O=Cc1oncc1-c1cccc(O)c1 257877865 573780630 /nfs/dbraw/zinc/78/06/30/573780630.db2.gz ZXFTXMKTARETAD-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN COc1cc(C)cc2c1OCC[C@H]2O 84149975 573780634 /nfs/dbraw/zinc/78/06/34/573780634.db2.gz YODHNKDVSAOBAX-SECBINFHSA-N 0 0 194.230 1.820 10 0 ADAERN CCC(=O)N1CCCC1 100227473 573780659 /nfs/dbraw/zinc/78/06/59/573780659.db2.gz HBHJJSDNMVPBBX-UQCOIBPSSA-N 0 0 127.187 1.502 10 0 ADAERN NN1CCC[C@@H]2CCCC[C@H]21 87100555 573780660 /nfs/dbraw/zinc/78/06/60/573780660.db2.gz TYGNBYWXADQYGC-DTWKUNHWSA-N 0 0 154.257 1.515 10 0 ADAERN Clc1cncc2nsnc12 238512780 573780665 /nfs/dbraw/zinc/78/06/65/573780665.db2.gz NQEAFXRVLHMHBU-UHFFFAOYSA-N 0 0 171.612 1.740 10 0 ADAERN Cc1cc(C(F)F)cnc1CO 238512218 573780671 /nfs/dbraw/zinc/78/06/71/573780671.db2.gz YZFNSNBYTVJMBQ-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN CC[C@H]1CCCN(N)CC1 87100914 573780672 /nfs/dbraw/zinc/78/06/72/573780672.db2.gz OSOVNLZVTDSCGK-QMMMGPOBSA-N 0 0 142.246 1.372 10 0 ADAERN OCCCc1cc(O)c(F)cc1O 258118629 573780680 /nfs/dbraw/zinc/78/06/80/573780680.db2.gz QIRCSDIWYIIAAL-UHFFFAOYSA-N 0 0 186.182 1.162 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1O)OCO2 258118611 573780684 /nfs/dbraw/zinc/78/06/84/573780684.db2.gz QIAVBVRNRDMIAC-ZCFIWIBFSA-N 0 0 196.202 1.044 10 0 ADAERN CC(=O)O[C@]1(C)CCC[C@@H](O)C1 238108214 573780695 /nfs/dbraw/zinc/78/06/95/573780695.db2.gz HJHLAGOHFSYJLK-RKDXNWHRSA-N 0 0 172.224 1.243 10 0 ADAERN Cc1cc(CNO)c2c(c1C)OCO2 258118656 573780970 /nfs/dbraw/zinc/78/09/70/573780970.db2.gz QJQOCPXDYLFBQI-UHFFFAOYSA-N 0 0 195.218 1.511 10 0 ADAERN C[C@H]1SCC(C)(C)C1=O 238512957 573780701 /nfs/dbraw/zinc/78/07/01/573780701.db2.gz GYEMHALGDNZHFB-RXMQYKEDSA-N 0 0 144.239 1.717 10 0 ADAERN Cc1c(C=O)cnc(C(F)F)c1N 238513693 573780707 /nfs/dbraw/zinc/78/07/07/573780707.db2.gz RSIRLSNPQBVUGK-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC(=O)[C@]12CCCC[C@H]1CCO2 238106061 573780709 /nfs/dbraw/zinc/78/07/09/573780709.db2.gz KFDZXVSZFKXZBA-VHSXEESVSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)C2)oc1C 238513665 573780715 /nfs/dbraw/zinc/78/07/15/573780715.db2.gz DPRPBFVAKUKXIS-QMMMGPOBSA-N 0 0 179.219 1.500 10 0 ADAERN Cc1cccc([C@H]2COCCN2)c1F 76136546 573780725 /nfs/dbraw/zinc/78/07/25/573780725.db2.gz QTBGFVSWLHCBIU-SNVBAGLBSA-N 0 0 195.237 1.795 10 0 ADAERN C[C@H]1Oc2cc3c(cc2[C@H]1O)CCC3 84150314 573780727 /nfs/dbraw/zinc/78/07/27/573780727.db2.gz XHEKBADCABVFPQ-KRTXAFLBSA-N 0 0 190.242 1.990 10 0 ADAERN CN(C)Cc1c(F)cccc1CO 108369940 573780972 /nfs/dbraw/zinc/78/09/72/573780972.db2.gz IFDGQFRQFUUVFW-UHFFFAOYSA-N 0 0 183.226 1.380 10 0 ADAERN [NH3+]Cc1cc(F)c([O-])c(Cl)c1 108368872 573780732 /nfs/dbraw/zinc/78/07/32/573780732.db2.gz DNCFRQPZYCPKGC-UHFFFAOYSA-N 0 0 175.590 1.643 10 0 ADAERN Cc1cc(C(N)=O)nc(C(F)F)c1 238513711 573780733 /nfs/dbraw/zinc/78/07/33/573780733.db2.gz HWSVCGVRVFAPGV-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN Cc1nc2c([nH]1)CCCN2 76131908 573780743 /nfs/dbraw/zinc/78/07/43/573780743.db2.gz UIFOVZVLTYFYJD-UHFFFAOYSA-N 0 0 137.186 1.076 10 0 ADAERN Cc1nc2cccnc2nc1Cl 108369442 573780777 /nfs/dbraw/zinc/78/07/77/573780777.db2.gz YARAETSZJAIRCE-UHFFFAOYSA-N 0 0 179.610 1.987 10 0 ADAERN Cc1cccc2c1O[C@H](C)[C@H]2O 84150037 573780780 /nfs/dbraw/zinc/78/07/80/573780780.db2.gz RGMFZTOMISFFNQ-VXNVDRBHSA-N 0 0 164.204 1.809 10 0 ADAERN Cc1ccc([C@@H](C)CO)c(O)c1F 258118774 573780783 /nfs/dbraw/zinc/78/07/83/573780783.db2.gz QLHLQGXTKXZLGA-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN C[C@H]1Oc2cc(F)cc(F)c2[C@@H]1O 84150858 573780807 /nfs/dbraw/zinc/78/08/07/573780807.db2.gz YWFUYFJJVPTWAT-ALFREKQPSA-N 0 0 186.157 1.779 10 0 ADAERN Cc1ccc2nc(NC(C)C)nn2c1 87101492 573780977 /nfs/dbraw/zinc/78/09/77/573780977.db2.gz LRGAPNCJWWOJBQ-UHFFFAOYSA-N 0 0 190.250 1.858 10 0 ADAERN CC(C)CN(N)C(C)C 87100857 573780817 /nfs/dbraw/zinc/78/08/17/573780817.db2.gz ZJUBBKFCFVJJBX-UHFFFAOYSA-N 0 0 130.235 1.227 10 0 ADAERN CC(=O)Nc1cc(C2CC2)ncn1 238108779 573780831 /nfs/dbraw/zinc/78/08/31/573780831.db2.gz WGTDGSUTHPJHSU-UHFFFAOYSA-N 0 0 177.207 1.312 10 0 ADAERN C[C@H]1Oc2ccc(F)cc2[C@@H]1O 84150088 573780846 /nfs/dbraw/zinc/78/08/46/573780846.db2.gz KWLZOPIRWUUIMY-MLUIRONXSA-N 0 0 168.167 1.640 10 0 ADAERN NN1CCC[C@H]2CCC[C@H]21 87100656 573780848 /nfs/dbraw/zinc/78/08/48/573780848.db2.gz YSKLENCSACHPBP-HTQZYQBOSA-N 0 0 140.230 1.125 10 0 ADAERN O=C([O-])[C@@]1(C2CCCC2)CCC[NH2+]1 258117480 573780862 /nfs/dbraw/zinc/78/08/62/573780862.db2.gz LNDIZOWBERTTJO-JTQLQIEISA-N 0 0 183.251 1.383 10 0 ADAERN Cc1ccc(C)c2c1OC[C@H]2O 84150208 573780980 /nfs/dbraw/zinc/78/09/80/573780980.db2.gz WHDMHBZESYUDOT-MRVPVSSYSA-N 0 0 164.204 1.729 10 0 ADAERN CC(=O)C(C)=C(C)O 100216490 573780884 /nfs/dbraw/zinc/78/08/84/573780884.db2.gz AJSOJBSKYXZAHH-XQRVVYSFSA-N 0 0 114.144 1.910 10 0 ADAERN CCCn1c(CO)nc2cccnc21 84149974 573780885 /nfs/dbraw/zinc/78/08/85/573780885.db2.gz JZOOVBKMTNEZMZ-UHFFFAOYSA-N 0 0 191.234 1.334 10 0 ADAERN C[C@@H](CO)c1cc(O)ccc1O 258118015 573780889 /nfs/dbraw/zinc/78/08/89/573780889.db2.gz ZTPMWCKNCMTPMP-LURJTMIESA-N 0 0 168.192 1.194 10 0 ADAERN CONCc1cc(C)c(O)c(OC)c1 258118677 573780908 /nfs/dbraw/zinc/78/09/08/573780908.db2.gz QKCAOSUJDGRYLJ-UHFFFAOYSA-N 0 0 197.234 1.360 10 0 ADAERN CCC1(CC)NC(=O)N(C(C)C)C1=O 84147727 573780915 /nfs/dbraw/zinc/78/09/15/573780915.db2.gz AXLWBFYLQXFBIM-UHFFFAOYSA-N 0 0 198.266 1.505 10 0 ADAERN CC1(C)CCC[C@@](C)(C(=O)[O-])[NH2+]1 258117446 573780927 /nfs/dbraw/zinc/78/09/27/573780927.db2.gz ZPWKXEGIUPCHLD-VIFPVBQESA-N 0 0 171.240 1.382 10 0 ADAERN C[C@H]1Oc2cc3c(cc2[C@H]1O)OCO3 84150417 573782750 /nfs/dbraw/zinc/78/27/50/573782750.db2.gz TXTILFUYGYYIFJ-FWOIEVBISA-N 0 0 194.186 1.230 10 0 ADAERN Cc1cccc2c1O[C@@H](C)[C@@H]2O 84150036 573782779 /nfs/dbraw/zinc/78/27/79/573782779.db2.gz RGMFZTOMISFFNQ-CBAPKCEASA-N 0 0 164.204 1.809 10 0 ADAERN c1ccc2c(c1)N[C@H]1COCCN21 238109370 573782782 /nfs/dbraw/zinc/78/27/82/573782782.db2.gz TZHQLWLRGZDDJC-SNVBAGLBSA-N 0 0 176.219 1.275 10 0 ADAERN CC(=O)[C@]1(c2ccccc2)N=C1C 238111855 573782823 /nfs/dbraw/zinc/78/28/23/573782823.db2.gz HJIVKKRZKWIGMX-LLVKDONJSA-N 0 0 173.215 1.945 10 0 ADAERN CCc1cccc2c1OC[C@@H]2O 84150674 573782825 /nfs/dbraw/zinc/78/28/25/573782825.db2.gz ODQMYJLATBIWKC-VIFPVBQESA-N 0 0 164.204 1.675 10 0 ADAERN COC(=O)Cc1csc(C2CC2)n1 84148541 573782832 /nfs/dbraw/zinc/78/28/32/573782832.db2.gz PHNATCWRSKDFHK-UHFFFAOYSA-N 0 0 197.259 1.736 10 0 ADAERN C[C@]12C[C@H](O)[C@@]1(C)CCC2=O 238504253 573782837 /nfs/dbraw/zinc/78/28/37/573782837.db2.gz PGKBMCYSZSFTGG-DJLDLDEBSA-N 0 0 154.209 1.127 10 0 ADAERN O[C@H]1COc2c(F)ccc(F)c21 84150899 573782787 /nfs/dbraw/zinc/78/27/87/573782787.db2.gz QNBVXOBDGRJTIK-LURJTMIESA-N 0 0 172.130 1.391 10 0 ADAERN C[NH2+]Cc1cc(F)c([O-])c(Cl)c1 108372120 573782798 /nfs/dbraw/zinc/78/27/98/573782798.db2.gz PXDPZDOUAWHKLO-UHFFFAOYSA-N 0 0 189.617 1.904 10 0 ADAERN C[C@@H]1Oc2c(ccc(F)c2F)[C@@H]1O 84150873 573782807 /nfs/dbraw/zinc/78/28/07/573782807.db2.gz ZTDVMERRSAOXMG-RNHFCUEFSA-N 0 0 186.157 1.779 10 0 ADAERN CC(=O)[C@]12OC=C[C@@H]1CC2(C)C 238109964 573782808 /nfs/dbraw/zinc/78/28/08/573782808.db2.gz GMBVYPGQAJKMBL-SCZZXKLOSA-N 0 0 166.220 1.904 10 0 ADAERN CC(=O)CO[C@@H]1CCCCC1=O 238110510 573782867 /nfs/dbraw/zinc/78/28/67/573782867.db2.gz LJQUQBNWHNOMJL-SECBINFHSA-N 0 0 170.208 1.104 10 0 ADAERN CC(C)(C)c1nc(C[NH3+])[n-]c(=O)c1F 108375177 573782869 /nfs/dbraw/zinc/78/28/69/573782869.db2.gz VSSXUDGLQQXSRX-UHFFFAOYSA-N 0 0 199.229 1.078 10 0 ADAERN Cc1cc2c(N)nnc(Cl)c2o1 238503134 573782871 /nfs/dbraw/zinc/78/28/71/573782871.db2.gz PEDALFAEZONFGS-UHFFFAOYSA-N 0 0 183.598 1.767 10 0 ADAERN Cc1ccc2c(c1O)O[C@H](O)C[C@@H]2C 238503824 573782968 /nfs/dbraw/zinc/78/29/68/573782968.db2.gz ZNOJOBNXXXTJPW-CBAPKCEASA-N 0 0 194.230 1.905 10 0 ADAERN C[C@]12CCC(=O)O[C@H]1CCC[C@@H]2O 238503704 573782880 /nfs/dbraw/zinc/78/28/80/573782880.db2.gz URWKLZAHVSJYDT-OYNCUSHFSA-N 0 0 184.235 1.243 10 0 ADAERN CCOc1ccc2c(c1)[C@H](O)[C@H](C)O2 84150326 573782883 /nfs/dbraw/zinc/78/28/83/573782883.db2.gz RLOAWJCQIAUEPA-WRWORJQWSA-N 0 0 194.230 1.900 10 0 ADAERN OCCc1cnn([C@H]2CCCS2)c1 257877878 573782894 /nfs/dbraw/zinc/78/28/94/573782894.db2.gz RMFAZGIAQYQWLX-SECBINFHSA-N 0 0 198.291 1.444 10 0 ADAERN COc1ccc2c(c1)O[C@H](C)[C@H]2O 84150958 573782760 /nfs/dbraw/zinc/78/27/60/573782760.db2.gz XUKQMIVIQLNEFP-LHLIQPBNSA-N 0 0 180.203 1.510 10 0 ADAERN CCCCC[C@@H](O)[C@H]1COC(=O)O1 215411028 573782686 /nfs/dbraw/zinc/78/26/86/573782686.db2.gz KEQVMRNXMHRDJJ-HTQZYQBOSA-N 0 0 188.223 1.463 10 0 ADAERN CCc1ccc2c(c1)[C@@H](O)CO2 84150473 573782690 /nfs/dbraw/zinc/78/26/90/573782690.db2.gz XRSDGPHTMQFVAY-VIFPVBQESA-N 0 0 164.204 1.675 10 0 ADAERN C[C@@H]1Oc2ccc(F)cc2[C@@H]1O 84150089 573782710 /nfs/dbraw/zinc/78/27/10/573782710.db2.gz KWLZOPIRWUUIMY-SSDLBLMSSA-N 0 0 168.167 1.640 10 0 ADAERN COc1cc(C)cc2c1O[C@H](C)[C@H]2O 84149985 573782728 /nfs/dbraw/zinc/78/27/28/573782728.db2.gz KDBLBSKSPURKJB-GMSGAONNSA-N 0 0 194.230 1.818 10 0 ADAERN CC(=O)Oc1c(C)ccc(C)c1N 238111324 573782730 /nfs/dbraw/zinc/78/27/30/573782730.db2.gz RBPUFZQJZXEFTA-UHFFFAOYSA-N 0 0 179.219 1.811 10 0 ADAERN [NH3+][C@H](c1nc(C(=O)[O-])cs1)C1CC1 84149652 573782732 /nfs/dbraw/zinc/78/27/32/573782732.db2.gz SCZKPSDWRLZWSA-LURJTMIESA-N 0 0 198.247 1.251 10 0 ADAERN O[C@H]1COc2c(F)cccc21 84150005 573782767 /nfs/dbraw/zinc/78/27/67/573782767.db2.gz YIHJHVSDENEPEU-ZETCQYMHSA-N 0 0 154.140 1.252 10 0 ADAERN COc1ccc(C)cc1CN(C)CO 258937895 573782908 /nfs/dbraw/zinc/78/29/08/573782908.db2.gz PTWCJLRPPVIDCQ-UHFFFAOYSA-N 0 0 195.262 1.385 10 0 ADAERN C[C@@H]1Oc2c(F)ccc(F)c2[C@@H]1O 84150903 573782915 /nfs/dbraw/zinc/78/29/15/573782915.db2.gz AUDJIOHRRLVDEC-RNHFCUEFSA-N 0 0 186.157 1.779 10 0 ADAERN CN[C@@H](NN)c1c(C)cc(C)cc1C 259186979 573782922 /nfs/dbraw/zinc/78/29/22/573782922.db2.gz KEOMVIBILWTLPH-NSHDSACASA-N 0 0 193.294 1.293 10 0 ADAERN CC(=O)[C@@H]1C=C1C(C)C 238111627 573782939 /nfs/dbraw/zinc/78/29/39/573782939.db2.gz ORLDIBAXRPXERG-QMMMGPOBSA-N 0 0 124.183 1.788 10 0 ADAERN Cc1cnc(C(F)F)c(CO)c1F 238503382 573782940 /nfs/dbraw/zinc/78/29/40/573782940.db2.gz JEOVIOPNRCXYDN-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C[C@@H]1Oc2ccc(F)cc2[C@H]1O 84150087 573782954 /nfs/dbraw/zinc/78/29/54/573782954.db2.gz KWLZOPIRWUUIMY-CDUCUWFYSA-N 0 0 168.167 1.640 10 0 ADAERN C[C@@]1(c2ccccc2)NC(=O)CCO1 238502622 573782956 /nfs/dbraw/zinc/78/29/56/573782956.db2.gz KRXXPVICJDVYHX-LLVKDONJSA-N 0 0 191.230 1.396 10 0 ADAERN C[C@@H]1CC(=O)NN1c1ccccc1O 108372992 573782966 /nfs/dbraw/zinc/78/29/66/573782966.db2.gz OCHDQYGYMIKREU-SSDOTTSWSA-N 0 0 192.218 1.022 10 0 ADAERN COc1cc(CC(C)=O)c(F)cc1O 108374702 573784556 /nfs/dbraw/zinc/78/45/56/573784556.db2.gz YYZKJDTUQUSVFG-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN C/C=C\CCNC(=O)c1ccn(C)n1 308432644 573784557 /nfs/dbraw/zinc/78/45/57/573784557.db2.gz GLNJXFNJQULWEF-ARJAWSKDSA-N 0 0 193.250 1.116 10 0 ADAERN CC(=O)[C@]1([C@H](O)c2ccccc2)CO1 238111806 573784562 /nfs/dbraw/zinc/78/45/62/573784562.db2.gz XTSJQJUDMAYTSL-MNOVXSKESA-N 0 0 192.214 1.078 10 0 ADAERN O=c1[nH]cc(C(F)(F)F)[nH]1 258426055 573785536 /nfs/dbraw/zinc/78/55/36/573785536.db2.gz CJHSSXNBDDQISS-UHFFFAOYSA-N 0 0 152.075 1.134 10 0 ADAERN Cc1nc(C(F)F)cc(O)c1C=O 238504241 573785537 /nfs/dbraw/zinc/78/55/37/573785537.db2.gz FPULMTACDFAQAC-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN COCCCC[C@@H]1CCC[C@H]1O 131097951 573785538 /nfs/dbraw/zinc/78/55/38/573785538.db2.gz WBAPOHSSADSIDA-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN FC1(F)CNCC[C@@H]1c1cccnc1 258514524 573785476 /nfs/dbraw/zinc/78/54/76/573785476.db2.gz FRBWSJYZKIWVJA-SECBINFHSA-N 0 0 198.216 1.794 10 0 ADAERN CC(=O)Cc1c(F)ccc2c1OCO2 108374314 573785489 /nfs/dbraw/zinc/78/54/89/573785489.db2.gz STTPCPHARXOSMR-UHFFFAOYSA-N 0 0 196.177 1.686 10 0 ADAERN COc1nc(-c2ccc(N)cc2)no1 87117308 573785492 /nfs/dbraw/zinc/78/54/92/573785492.db2.gz HJYGXEJQEDFPRE-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN COc1ccc(N[C@@H](C)[C@H](C)O)cn1 87125984 573785500 /nfs/dbraw/zinc/78/55/00/573785500.db2.gz MQEAWSXMFVDCAG-YUMQZZPRSA-N 0 0 196.250 1.271 10 0 ADAERN Cc1ccc(C(=O)[C@H]2O[C@@H]2C)cc1 238504281 573784581 /nfs/dbraw/zinc/78/45/81/573784581.db2.gz OSOTZQIJCDDFEI-KCJUWKMLSA-N 0 0 176.215 1.965 10 0 ADAERN COc1c(C)cc(F)cc1C(=O)CN 108374486 573784583 /nfs/dbraw/zinc/78/45/83/573784583.db2.gz GCHQZQDNPXJFSB-UHFFFAOYSA-N 0 0 197.209 1.284 10 0 ADAERN CCc1ccc(N)c(=O)n1C(C)(C)C 257877248 573784609 /nfs/dbraw/zinc/78/46/09/573784609.db2.gz UUJLRVMFBWZRJV-UHFFFAOYSA-N 0 0 194.278 1.748 10 0 ADAERN O=C1CNc2nc3ccccc3n2C1 108371210 573784644 /nfs/dbraw/zinc/78/46/44/573784644.db2.gz OYTSNTHSVRXWFJ-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN COC(=O)C=CN[C@H]1CC[C@H](C)CC1 308436833 573784669 /nfs/dbraw/zinc/78/46/69/573784669.db2.gz RHDKELUDYKAKFK-XYVOLUCKSA-N 0 0 197.278 1.841 10 0 ADAERN C[C@]([NH3+])(CCO)c1cccc([S-])c1 238502758 573784675 /nfs/dbraw/zinc/78/46/75/573784675.db2.gz XTOISTDUMOYPQA-JTQLQIEISA-N 0 0 197.303 1.532 10 0 ADAERN CC(=O)c1cnc2c(c1)CCN(C)C2 257877315 573784695 /nfs/dbraw/zinc/78/46/95/573784695.db2.gz UWYUKJHOXVWGSG-UHFFFAOYSA-N 0 0 190.246 1.272 10 0 ADAERN C[C@]1(c2ccccn2)CC[NH2+]1 84178848 573784701 /nfs/dbraw/zinc/78/47/01/573784701.db2.gz ZUDYZOVLLGKFQK-SECBINFHSA-N 0 0 148.209 1.290 10 0 ADAERN CCOc1n[nH]c(C(C)C)n1 87117086 573784728 /nfs/dbraw/zinc/78/47/28/573784728.db2.gz WLTIKKKUKQFRFR-UHFFFAOYSA-N 0 0 155.201 1.327 10 0 ADAERN CC(C)CCP(CO)CO 238110550 573784729 /nfs/dbraw/zinc/78/47/29/573784729.db2.gz CFTCPXIMVOWYMQ-UHFFFAOYSA-N 0 0 164.185 1.414 10 0 ADAERN CCCOCCCn1cncc1CO 131085834 573784734 /nfs/dbraw/zinc/78/47/34/573784734.db2.gz CGFSIYHOKRNQCX-UHFFFAOYSA-N 0 0 198.266 1.192 10 0 ADAERN Cc1ccccc1N(C)CO 258947915 573784736 /nfs/dbraw/zinc/78/47/36/573784736.db2.gz RAEZXELMWNXDLK-UHFFFAOYSA-N 0 0 151.209 1.381 10 0 ADAERN COc1cc(F)c(CC(C)=O)cc1O 108374701 573784739 /nfs/dbraw/zinc/78/47/39/573784739.db2.gz ZJIMXWPZVBHVDY-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN O=C([O-])/C=C\[NH+]1CCC2(CCC2)CC1 308432158 573784777 /nfs/dbraw/zinc/78/47/77/573784777.db2.gz FYEUIZVZJPHRRY-UQCOIBPSSA-N 0 0 195.262 1.851 10 0 ADAERN C[C@@]1(c2ccccc2)NCC(=N)O1 238502713 573784784 /nfs/dbraw/zinc/78/47/84/573784784.db2.gz UPSAGFNRLZVOSC-SNVBAGLBSA-N 0 0 176.219 1.456 10 0 ADAERN CC(C)(C)OC(=O)N[C@H]1C=CCOC1 238111696 573784802 /nfs/dbraw/zinc/78/48/02/573784802.db2.gz PVACWFLIZLVCPB-QMMMGPOBSA-N 0 0 199.250 1.466 10 0 ADAERN CC(C)Cc1ccc2nccn2n1 258946964 573784813 /nfs/dbraw/zinc/78/48/13/573784813.db2.gz ASHANILRXZLCRW-UHFFFAOYSA-N 0 0 175.235 1.928 10 0 ADAERN Cc1cccn2c(C)c(CO)nc12 238504043 573784817 /nfs/dbraw/zinc/78/48/17/573784817.db2.gz DEUSBNNUQUXEON-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN COc1ccc2[nH]c(OC)nc2c1 87117244 573784824 /nfs/dbraw/zinc/78/48/24/573784824.db2.gz ZPKZZSSSDJYLDN-UHFFFAOYSA-N 0 0 178.191 1.580 10 0 ADAERN COc1nc2cc(C)cnc2[nH]1 87117264 573784863 /nfs/dbraw/zinc/78/48/63/573784863.db2.gz RPQFLUZMMWUEEB-UHFFFAOYSA-N 0 0 163.180 1.275 10 0 ADAERN CN1C(=O)OC[C@@H]1c1cccc(N)c1 108372966 573784875 /nfs/dbraw/zinc/78/48/75/573784875.db2.gz RFSMBEKZJZHCCN-SECBINFHSA-N 0 0 192.218 1.392 10 0 ADAERN CC(=O)Oc1c(O)ccc(C)c1C 238111881 573784938 /nfs/dbraw/zinc/78/49/38/573784938.db2.gz NTKWZMZOEPEKNV-UHFFFAOYSA-N 0 0 180.203 1.934 10 0 ADAERN CC(=O)O[C@]1(c2ccccc2)C[C@H]1O 238110240 573784971 /nfs/dbraw/zinc/78/49/71/573784971.db2.gz NDUBRTATUZQLNG-MNOVXSKESA-N 0 0 192.214 1.210 10 0 ADAERN Nc1cnc2c3c(nn2c1)CCCC3 257877288 573784972 /nfs/dbraw/zinc/78/49/72/573784972.db2.gz UWHOLZCDQCUQDP-UHFFFAOYSA-N 0 0 188.234 1.190 10 0 ADAERN CC(C)(C)[C@]12O[C@H]1CCC[C@@H]2O 238109388 573785419 /nfs/dbraw/zinc/78/54/19/573785419.db2.gz ORJSMIPRFNZWCH-OYNCUSHFSA-N 0 0 170.252 1.715 10 0 ADAERN CCOC(=O)C1=C[C@H]2CC[C@H]12 100238250 573784977 /nfs/dbraw/zinc/78/49/77/573784977.db2.gz GQXSLPBGAPHJTI-RQJHMYQMSA-N 0 0 152.193 1.516 10 0 ADAERN COC(=O)CCN(C)c1ccc(C)o1 258948066 573784986 /nfs/dbraw/zinc/78/49/86/573784986.db2.gz REKVODVXUFHSNK-UHFFFAOYSA-N 0 0 197.234 1.587 10 0 ADAERN COc1ccncc1N[C@H](C)CCO 308739947 573784991 /nfs/dbraw/zinc/78/49/91/573784991.db2.gz NYEMKCIUUJTJTJ-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN CCOC(=O)C1=C[C@@H]2CC[C@@H]12 100238254 573784993 /nfs/dbraw/zinc/78/49/93/573784993.db2.gz GQXSLPBGAPHJTI-NKWVEPMBSA-N 0 0 152.193 1.516 10 0 ADAERN Cc1ncccc1-c1noc(N)c1C 87123114 573784997 /nfs/dbraw/zinc/78/49/97/573784997.db2.gz DJZIZIHPDIWUBD-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN COC(=O)c1scc2c1CCOC2 259570433 573785033 /nfs/dbraw/zinc/78/50/33/573785033.db2.gz DENFUYSAPRUARS-UHFFFAOYSA-N 0 0 198.243 1.607 10 0 ADAERN COc1nnc(-c2ccccc2N)o1 87116921 573785056 /nfs/dbraw/zinc/78/50/56/573785056.db2.gz YLGHHKIGDFOEIV-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN CC[C@]1(C)C[C@@H]1C(=O)NCCOC 308437417 573785532 /nfs/dbraw/zinc/78/55/32/573785532.db2.gz XIUXDDMFLWZUJE-PSASIEDQSA-N 0 0 185.267 1.185 10 0 ADAERN Cc1ccc(C)c(C2(O)COC2)c1 258792167 573785074 /nfs/dbraw/zinc/78/50/74/573785074.db2.gz VYVBMHMSKYGKQQ-UHFFFAOYSA-N 0 0 178.231 1.521 10 0 ADAERN CC[C@@H](C[N@H+](C)C(C)C)C(=O)[O-] 258947201 573785075 /nfs/dbraw/zinc/78/50/75/573785075.db2.gz JHLZFZZOSLKOFG-QMMMGPOBSA-N 0 0 173.256 1.437 10 0 ADAERN COc1nc(-c2ccco2)c(C)[nH]1 258514744 573785097 /nfs/dbraw/zinc/78/50/97/573785097.db2.gz GKCQWOSSDCBFAG-UHFFFAOYSA-N 0 0 178.191 1.987 10 0 ADAERN C[C@H]1C[C@@H](O)CC(C)(C)O1 238502717 573785099 /nfs/dbraw/zinc/78/50/99/573785099.db2.gz YZGRGGXYDLIMDW-NKWVEPMBSA-N 0 0 144.214 1.325 10 0 ADAERN CC(=O)[C@]1(C)O[C@H]2OCCC[C@@H]21 238111190 573785104 /nfs/dbraw/zinc/78/51/04/573785104.db2.gz OCNPMDCSVPAZFE-YIZRAAEISA-N 0 0 170.208 1.117 10 0 ADAERN CC[C@H](CC1CC1)N[C@@H]1CCOC1=O 308739134 573785111 /nfs/dbraw/zinc/78/51/11/573785111.db2.gz NMAYSYCOKXLCMM-NXEZZACHSA-N 0 0 197.278 1.470 10 0 ADAERN CCOc1nc2cc(C)cnc2[nH]1 87117259 573785122 /nfs/dbraw/zinc/78/51/22/573785122.db2.gz RPBJWDIKMOFWRD-UHFFFAOYSA-N 0 0 177.207 1.665 10 0 ADAERN COc1ccc2cnc([C@@H](C)O)n2c1 257877279 573785544 /nfs/dbraw/zinc/78/55/44/573785544.db2.gz UVZOSNGITFMAAV-SSDOTTSWSA-N 0 0 192.218 1.396 10 0 ADAERN Cn1ccc(CNCC2(F)CCC2)n1 308738266 573785134 /nfs/dbraw/zinc/78/51/34/573785134.db2.gz MXXOYQKOTZRESY-UHFFFAOYSA-N 0 0 197.257 1.402 10 0 ADAERN C[C@]12C=C[C@@]1(C)CCC2=O 238504171 573785148 /nfs/dbraw/zinc/78/51/48/573785148.db2.gz IVMMCGLVJXQSOA-RKDXNWHRSA-N 0 0 136.194 1.932 10 0 ADAERN CC(C)=C(Br)CNC=O 238109462 573785160 /nfs/dbraw/zinc/78/51/60/573785160.db2.gz CLOLZLABVIBPDY-UHFFFAOYSA-N 0 0 192.056 1.421 10 0 ADAERN O=C([O-])/C=C\C[NH2+]CC1CCCCC1 308432108 573785163 /nfs/dbraw/zinc/78/51/63/573785163.db2.gz GDRJZNAKWYLLRJ-DAXSKMNVSA-N 0 0 197.278 1.797 10 0 ADAERN Cc1ccc(-c2c(N)[nH][nH]c2=O)cc1 258947222 573785172 /nfs/dbraw/zinc/78/51/72/573785172.db2.gz YSQSAAZBZCXAHK-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN OCCCC1(C2CCCC2)COC1 258940135 573785546 /nfs/dbraw/zinc/78/55/46/573785546.db2.gz YEPBLUAJWQVVIU-UHFFFAOYSA-N 0 0 184.279 1.966 10 0 ADAERN C[C@]12CCC(=O)[C@@H]1CC(=O)C2 238503878 573785181 /nfs/dbraw/zinc/78/51/81/573785181.db2.gz KCFHJBHUMDTGKN-IONNQARKSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1cc2ccoc2c(C=O)n1 238513747 573785217 /nfs/dbraw/zinc/78/52/17/573785217.db2.gz CTKUMSPIYOEFJM-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CCOc1nnc2ccc(Cl)nn12 87117130 573785231 /nfs/dbraw/zinc/78/52/31/573785231.db2.gz DMZRESURZQZBEP-UHFFFAOYSA-N 0 0 198.613 1.176 10 0 ADAERN CC(=O)O[C@]1(c2ccccc2)C[C@@H]1O 238110212 573785285 /nfs/dbraw/zinc/78/52/85/573785285.db2.gz NDUBRTATUZQLNG-QWRGUYRKSA-N 0 0 192.214 1.210 10 0 ADAERN Cc1ncccc1-c1nc(N)no1 87123572 573785289 /nfs/dbraw/zinc/78/52/89/573785289.db2.gz BOKKMZOTXONNHP-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(=O)Oc1cc(C(C)=O)ccn1 238112648 573785316 /nfs/dbraw/zinc/78/53/16/573785316.db2.gz PTHXAILUNPBENB-UHFFFAOYSA-N 0 0 179.175 1.210 10 0 ADAERN COc1c(C=O)cc(C)c2c1CCO2 82321351 573785323 /nfs/dbraw/zinc/78/53/23/573785323.db2.gz SKWWFUVFEOXUAU-UHFFFAOYSA-N 0 0 192.214 1.751 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH2+]C)C1CCC1 259186903 573785328 /nfs/dbraw/zinc/78/53/28/573785328.db2.gz KDIZAWBVKXJNKY-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)CP(C#N)C#N 238111152 573785329 /nfs/dbraw/zinc/78/53/29/573785329.db2.gz CDUBAISHTWNQHN-UHFFFAOYSA-N 0 0 140.082 1.019 10 0 ADAERN CN(CC1(CO)CC1)c1ccc[nH]1 258946694 573785337 /nfs/dbraw/zinc/78/53/37/573785337.db2.gz QGOFOZFFYHIBLT-UHFFFAOYSA-N 0 0 180.251 1.223 10 0 ADAERN CO[C@@H]1CCC[C@H](OC[C@@H](C)O)C1 131194173 573785349 /nfs/dbraw/zinc/78/53/49/573785349.db2.gz QYPDBDAWPNSNPQ-BBBLOLIVSA-N 0 0 188.267 1.341 10 0 ADAERN Nc1nc(Cl)c(F)c(C2CC2)n1 108371540 573785369 /nfs/dbraw/zinc/78/53/69/573785369.db2.gz VUILZUOYDUSAGA-UHFFFAOYSA-N 0 0 187.605 1.729 10 0 ADAERN Cc1cc(C(F)F)c(CO)cn1 238504290 573785373 /nfs/dbraw/zinc/78/53/73/573785373.db2.gz XHQMMFBNPTUJQC-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN C[C@H]1OC2=CC=CC=C[C@]2(C)C1=O 238503115 573785382 /nfs/dbraw/zinc/78/53/82/573785382.db2.gz AFECLTGNMQEKQC-KCJUWKMLSA-N 0 0 176.215 1.990 10 0 ADAERN c1ccc2c(c1)CCN1CCCN[C@H]21 238111443 573785388 /nfs/dbraw/zinc/78/53/88/573785388.db2.gz YOUOECUBTYTKBE-LBPRGKRZSA-N 0 0 188.274 1.537 10 0 ADAERN C[C@]12C[C@@H](O)[C@@]1(C)CCC2=O 238504268 573785406 /nfs/dbraw/zinc/78/54/06/573785406.db2.gz PGKBMCYSZSFTGG-IWSPIJDZSA-N 0 0 154.209 1.127 10 0 ADAERN c1ccc2c(c1)N[C@@H]1COCCN21 238109327 573785409 /nfs/dbraw/zinc/78/54/09/573785409.db2.gz TZHQLWLRGZDDJC-JTQLQIEISA-N 0 0 176.219 1.275 10 0 ADAERN COc1nc([C@H](N)C(C)(C)C)no1 87117407 573785411 /nfs/dbraw/zinc/78/54/11/573785411.db2.gz KZMHXQPEYRYIAK-YFKPBYRVSA-N 0 0 185.227 1.124 10 0 ADAERN CC[C@H](C[N@H+](C)C(C)C)C(=O)[O-] 258947199 573785414 /nfs/dbraw/zinc/78/54/14/573785414.db2.gz JHLZFZZOSLKOFG-MRVPVSSYSA-N 0 0 173.256 1.437 10 0 ADAERN CC(=O)CNc1cccc(C)c1 238109387 573785555 /nfs/dbraw/zinc/78/55/55/573785555.db2.gz YSCXQGGCHVCHMN-UHFFFAOYSA-N 0 0 163.220 1.996 10 0 ADAERN c1cc2c(c(OC3CC3)c1)OCCO2 238112883 573785575 /nfs/dbraw/zinc/78/55/75/573785575.db2.gz CLNSFPNRUQJGTK-UHFFFAOYSA-N 0 0 192.214 1.999 10 0 ADAERN COCCCC[C@H](C)[C@H](C)O 131100465 573785582 /nfs/dbraw/zinc/78/55/82/573785582.db2.gz WBBHLDHAAYUPMF-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN NCc1ncc([C@@H]2CCCS2)o1 107231050 573785592 /nfs/dbraw/zinc/78/55/92/573785592.db2.gz JEYOHGZBPQEZKI-ZETCQYMHSA-N 0 0 184.264 1.701 10 0 ADAERN O=C([O-])C1=C(C2CCCC2)C[NH2+]CC1 257877259 573785612 /nfs/dbraw/zinc/78/56/12/573785612.db2.gz UVCXNHCKRKEUQU-UHFFFAOYSA-N 0 0 195.262 1.551 10 0 ADAERN COC(=O)c1cc(C)sc1N(C)C 259570387 573785615 /nfs/dbraw/zinc/78/56/15/573785615.db2.gz XRTYWZDXTIRJQG-UHFFFAOYSA-N 0 0 199.275 1.909 10 0 ADAERN CCOc1nnc2c(Cl)nccn12 87117141 573785633 /nfs/dbraw/zinc/78/56/33/573785633.db2.gz QYIKUENUCSQFLX-UHFFFAOYSA-N 0 0 198.613 1.176 10 0 ADAERN C[C@H]1O[C@@H]1C(=O)NCc1ccccc1 238504123 573785636 /nfs/dbraw/zinc/78/56/36/573785636.db2.gz PJRUXTVTDQGGPC-SCZZXKLOSA-N 0 0 191.230 1.090 10 0 ADAERN CO[C@@H](C)CN1CCC[C@@H]1C(F)F 308436983 573785657 /nfs/dbraw/zinc/78/56/57/573785657.db2.gz XCPRXRKOPMZDCY-JGVFFNPUSA-N 0 0 193.237 1.751 10 0 ADAERN CC[C@H](F)C[N@@H+]1CC[C@@H](C)[C@@H]1CO 308432348 573785679 /nfs/dbraw/zinc/78/56/79/573785679.db2.gz UIYTYBRVSAUPSG-UTLUCORTSA-N 0 0 189.274 1.437 10 0 ADAERN CCCC[C@@H](CC)S(C)(=O)=O 221882163 573785699 /nfs/dbraw/zinc/78/56/99/573785699.db2.gz GWSYQOOTXQZQAO-MRVPVSSYSA-N 0 0 178.297 2.000 10 0 ADAERN CNc1ccc2[nH]c(OC)nc2n1 87117285 573785706 /nfs/dbraw/zinc/78/57/06/573785706.db2.gz KKBOHKMJYWJECH-UHFFFAOYSA-N 0 0 178.195 1.008 10 0 ADAERN C[C@H]1O[C@@H]1C(=O)Nc1ccccc1O 238504156 573785707 /nfs/dbraw/zinc/78/57/07/573785707.db2.gz DKRNNYZXQFNOMG-MUWHJKNJSA-N 0 0 193.202 1.118 10 0 ADAERN Cc1nc(C(F)F)cc(N)c1CO 238503615 573785741 /nfs/dbraw/zinc/78/57/41/573785741.db2.gz QFZMJSFOHGJRMX-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC[C@H](C)[S@@](=O)CCC(=O)OC 40957091 573785812 /nfs/dbraw/zinc/78/58/12/573785812.db2.gz IXKWITGJLANNLK-JVXZTZIISA-N 0 0 192.280 1.097 10 0 ADAERN CNc1cc(N)cc(C=O)c1 221881129 573785814 /nfs/dbraw/zinc/78/58/14/573785814.db2.gz MWSJWSAEVYTDNX-UHFFFAOYSA-N 0 0 150.181 1.123 10 0 ADAERN CCSCc1cnoc1N 257877591 573786169 /nfs/dbraw/zinc/78/61/69/573786169.db2.gz GQTKCYMLXWYVHB-UHFFFAOYSA-N 0 0 158.226 1.510 10 0 ADAERN C[C@@]1(c2cccnc2)NCCS1 238504339 573785835 /nfs/dbraw/zinc/78/58/35/573785835.db2.gz DEAZWHDDJRUWRM-SECBINFHSA-N 0 0 180.276 1.591 10 0 ADAERN CC(=O)CS[C@@H]1CCCC1=O 238111879 573785841 /nfs/dbraw/zinc/78/58/41/573785841.db2.gz GXSWJYAZSVACNV-MRVPVSSYSA-N 0 0 172.249 1.430 10 0 ADAERN CCOc1nnc2cc(Cl)ncn12 87117136 573785844 /nfs/dbraw/zinc/78/58/44/573785844.db2.gz VABQOFZJCCDWIQ-UHFFFAOYSA-N 0 0 198.613 1.176 10 0 ADAERN CC(C)CC[C@H](C)N1CN[C@H](C)C1=O 127204058 573786171 /nfs/dbraw/zinc/78/61/71/573786171.db2.gz JFLFLPVYAAGRLD-VHSXEESVSA-N 0 0 198.310 1.589 10 0 ADAERN CC[C@@]1(C)C[C@H]1C(=O)NCCOC 308437420 573785871 /nfs/dbraw/zinc/78/58/71/573785871.db2.gz XIUXDDMFLWZUJE-WPRPVWTQSA-N 0 0 185.267 1.185 10 0 ADAERN COC[C@@H](C)Nc1noc(C2CC2)n1 308741318 573785874 /nfs/dbraw/zinc/78/58/74/573785874.db2.gz OXQHVPURQAMTEP-ZCFIWIBFSA-N 0 0 197.238 1.394 10 0 ADAERN CO[C@@H]1CCC[C@@H](OC[C@@H](C)O)C1 131193988 573785896 /nfs/dbraw/zinc/78/58/96/573785896.db2.gz QYPDBDAWPNSNPQ-OPRDCNLKSA-N 0 0 188.267 1.341 10 0 ADAERN CCCN1C(=O)CN[C@]1(C)CC(C)C 308742001 573785907 /nfs/dbraw/zinc/78/59/07/573785907.db2.gz PHJAZDNRPNPRKZ-NSHDSACASA-N 0 0 198.310 1.591 10 0 ADAERN Cc1[nH]c(C(F)F)cc(=O)c1CO 238504379 573785910 /nfs/dbraw/zinc/78/59/10/573785910.db2.gz KCMURKJTRMXHRA-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CCC[C@@](C)(O)CNc1nc(C)co1 308742189 573785927 /nfs/dbraw/zinc/78/59/27/573785927.db2.gz PKPFHLIZMQJISP-SNVBAGLBSA-N 0 0 198.266 1.946 10 0 ADAERN COc1c(N)c(C)c(C)c2c1CCO2 82321357 573785950 /nfs/dbraw/zinc/78/59/50/573785950.db2.gz KERRQYDZMIZTBQ-UHFFFAOYSA-N 0 0 193.246 1.829 10 0 ADAERN C[C@H]1O[C@@H]1C(=O)Cc1ccccc1 238504091 573785954 /nfs/dbraw/zinc/78/59/54/573785954.db2.gz VGDHPCSZCITQCC-KCJUWKMLSA-N 0 0 176.215 1.586 10 0 ADAERN COc1cc(F)cc(CC(C)=O)c1O 108374698 573785971 /nfs/dbraw/zinc/78/59/71/573785971.db2.gz GWYXDAHXABILFE-UHFFFAOYSA-N 0 0 198.193 1.671 10 0 ADAERN NC(=S)CCOC(F)(F)F 84178134 573785992 /nfs/dbraw/zinc/78/59/92/573785992.db2.gz MZWPDGYIWOZOMM-UHFFFAOYSA-N 0 0 173.159 1.199 10 0 ADAERN CCOc1nc2ccc(N)cc2o1 87116931 573786026 /nfs/dbraw/zinc/78/60/26/573786026.db2.gz FOLRTDINAYMQBC-UHFFFAOYSA-N 0 0 178.191 1.809 10 0 ADAERN CCCCCC[C@]1(C)NCC(=O)N1C 308738066 573786039 /nfs/dbraw/zinc/78/60/39/573786039.db2.gz MUANAXVYFXZUNI-LLVKDONJSA-N 0 0 198.310 1.735 10 0 ADAERN CCCN1N=C(C)[C@@H](C(C)C)C1=O 108373745 573786049 /nfs/dbraw/zinc/78/60/49/573786049.db2.gz GZLVDECTSQQWMV-SECBINFHSA-N 0 0 182.267 1.887 10 0 ADAERN COc1n[nH]c(-c2ccccc2)n1 87117121 573786055 /nfs/dbraw/zinc/78/60/55/573786055.db2.gz BHOBHTSKYORBJF-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN Cc1csc([C@H]2CNC(=O)C2)c1 238504079 573786056 /nfs/dbraw/zinc/78/60/56/573786056.db2.gz FHJXZHCBNYUJDV-SSDOTTSWSA-N 0 0 181.260 1.660 10 0 ADAERN C[C@]12CCC(=O)[C@@]1(C)CC2=O 238504212 573786076 /nfs/dbraw/zinc/78/60/76/573786076.db2.gz QIFUTKNINXAGQM-RKDXNWHRSA-N 0 0 152.193 1.335 10 0 ADAERN CO[C@H]1C[C@@H]([N@H+](C)CCC(C)=O)C1 308432463 573786089 /nfs/dbraw/zinc/78/60/89/573786089.db2.gz ULFMQMSXRGOQOW-AOOOYVTPSA-N 0 0 185.267 1.075 10 0 ADAERN C[C@@]1(c2ccccn2)CC[NH2+]1 84178849 573786128 /nfs/dbraw/zinc/78/61/28/573786128.db2.gz ZUDYZOVLLGKFQK-VIFPVBQESA-N 0 0 148.209 1.290 10 0 ADAERN COc1nnc(-c2ccc(N)cc2)o1 87116984 573786135 /nfs/dbraw/zinc/78/61/35/573786135.db2.gz UHLGRNZVSVTFOA-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN COCCCC[C@H]1CCC[C@H]1O 131098127 573786282 /nfs/dbraw/zinc/78/62/82/573786282.db2.gz WBAPOHSSADSIDA-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN O=C(NCCO)OC1CCCCC1 199054936 573786270 /nfs/dbraw/zinc/78/62/70/573786270.db2.gz LJOXKGMEVLABTK-UHFFFAOYSA-N 0 0 187.239 1.038 10 0 ADAERN CCCC[C@]1(CO)C=C[C@@H](O)C1 78195062 573789367 /nfs/dbraw/zinc/78/93/67/573789367.db2.gz BLFULFONVUXPQH-ZJUUUORDSA-N 0 0 170.252 1.476 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1CNc1cc[nH+]cc1 258944012 573788110 /nfs/dbraw/zinc/78/81/10/573788110.db2.gz TZYIFCKVFSDZIA-APPZFPTMSA-N 0 0 192.218 1.214 10 0 ADAERN CC[C@H](COC)N[C@H](C)c1ncon1 308724016 573789486 /nfs/dbraw/zinc/78/94/86/573789486.db2.gz FRYJUEGISBZVIL-HTQZYQBOSA-N 0 0 199.254 1.145 10 0 ADAERN CC[C@H](C)ONC(=O)C[C@H](C)OC 308434719 573789488 /nfs/dbraw/zinc/78/94/88/573789488.db2.gz VLKDEYGYLPJDPP-YUMQZZPRSA-N 0 0 189.255 1.258 10 0 ADAERN C[C@H](O)[C@@H](C)CC(=O)C1CC1 87131779 573789493 /nfs/dbraw/zinc/78/94/93/573789493.db2.gz NKPAJSXWFLQKOD-BQBZGAKWSA-N 0 0 156.225 1.373 10 0 ADAERN OCCCC[NH+]1Cc2ccccc2C1 50911812 573788731 /nfs/dbraw/zinc/78/87/31/573788731.db2.gz AXVINIQXHATMDP-UHFFFAOYSA-N 0 0 191.274 1.775 10 0 ADAERN Cc1cc2nc(N)nc(Cl)c2n1C 238518323 573788261 /nfs/dbraw/zinc/78/82/61/573788261.db2.gz OBJBAOZTEPCCRY-UHFFFAOYSA-N 0 0 196.641 1.512 10 0 ADAERN OC1C[C@H]2CC(F)(F)C[C@@H]2C1 258514926 573789474 /nfs/dbraw/zinc/78/94/74/573789474.db2.gz LSKOGCGJZBLMAE-WDSKDSINSA-N 0 0 162.179 1.803 10 0 ADAERN C[C@@H]1C[C@]1(C(=O)[O-])[C@@H]1CCC[N@H+](C)C1 258943218 573789506 /nfs/dbraw/zinc/78/95/06/573789506.db2.gz CSQOCEKKIHAVCA-FXPVBKGRSA-N 0 0 197.278 1.439 10 0 ADAERN CC(=O)c1nc(Cl)[nH]c1C 238116757 573789523 /nfs/dbraw/zinc/78/95/23/573789523.db2.gz ADFMKNFQPLYACO-UHFFFAOYSA-N 0 0 158.588 1.574 10 0 ADAERN CN(CO)c1ccccc1F 258941772 573789539 /nfs/dbraw/zinc/78/95/39/573789539.db2.gz QHDBQNJQVQNKDU-UHFFFAOYSA-N 0 0 155.172 1.212 10 0 ADAERN CCC[C@@H](O)CNc1ncns1 127178369 573787856 /nfs/dbraw/zinc/78/78/56/573787856.db2.gz KDPUIMMYGPDFFT-ZCFIWIBFSA-N 0 0 187.268 1.111 10 0 ADAERN CNC(=O)Nc1ccc(F)cc1N 125104720 573787858 /nfs/dbraw/zinc/78/78/58/573787858.db2.gz MKZMFXXQLLRZLR-UHFFFAOYSA-N 0 0 183.186 1.159 10 0 ADAERN CC(=O)Oc1ccc(C)c(C)c1N 238114616 573787860 /nfs/dbraw/zinc/78/78/60/573787860.db2.gz LGVOPLMBUIEPJF-UHFFFAOYSA-N 0 0 179.219 1.811 10 0 ADAERN Cc1cccc(C[C@@H]([NH3+])C(=O)[O-])c1F 76160767 573787865 /nfs/dbraw/zinc/78/78/65/573787865.db2.gz JNSVFBLXKMOJKT-MRVPVSSYSA-N 0 0 197.209 1.089 10 0 ADAERN Cc1cccc([C@@H](NN)N(C)C)c1 259188250 573787898 /nfs/dbraw/zinc/78/78/98/573787898.db2.gz NOQQDJXAHNMYSP-JTQLQIEISA-N 0 0 179.267 1.019 10 0 ADAERN C[C@@H](CC(=O)C1CC1)[C@@H](C)O 87131777 573789553 /nfs/dbraw/zinc/78/95/53/573789553.db2.gz NKPAJSXWFLQKOD-NKWVEPMBSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1cc2nc(N)nc(Cl)c2[nH]1 238518295 573787918 /nfs/dbraw/zinc/78/79/18/573787918.db2.gz WQDMUEMFRBCSRN-UHFFFAOYSA-N 0 0 182.614 1.502 10 0 ADAERN Cc1ccsc1[C@H]([NH3+])[C@H](C)C(=O)[O-] 259568468 573787922 /nfs/dbraw/zinc/78/79/22/573787922.db2.gz YIWSZDLNAFKXKN-NKWVEPMBSA-N 0 0 199.275 1.777 10 0 ADAERN C[C@@H]1[C@@H](NC(N)=O)[C@H]2CC[C@@H]1C2 238516903 573787927 /nfs/dbraw/zinc/78/79/27/573787927.db2.gz HEJGAEDVYBVIKQ-FKSUSPILSA-N 0 0 168.240 1.089 10 0 ADAERN CNC(=O)Nc1cc(N)ccc1OC 125101752 573787932 /nfs/dbraw/zinc/78/79/32/573787932.db2.gz RFJVMBVBXPKROC-UHFFFAOYSA-N 0 0 195.222 1.029 10 0 ADAERN CC(=O)Oc1cc[nH]c1C(F)(F)F 238114137 573787944 /nfs/dbraw/zinc/78/79/44/573787944.db2.gz GNFCKKMFZXTGBC-UHFFFAOYSA-N 0 0 193.124 1.959 10 0 ADAERN Cc1c(N)cc(C(F)F)nc1C[NH3+] 238516911 573789564 /nfs/dbraw/zinc/78/95/64/573789564.db2.gz PZJLKUHFTPPYJC-UHFFFAOYSA-N 0 0 187.193 1.369 10 0 ADAERN CC(=O)Nc1ccc(OC2CC2)nc1 238113567 573787967 /nfs/dbraw/zinc/78/79/67/573787967.db2.gz CVSFWFAJWDVXOV-UHFFFAOYSA-N 0 0 192.218 1.581 10 0 ADAERN CC[C@@H](COC)N[C@@H](C)c1ncon1 308724024 573787979 /nfs/dbraw/zinc/78/79/79/573787979.db2.gz FRYJUEGISBZVIL-YUMQZZPRSA-N 0 0 199.254 1.145 10 0 ADAERN Cc1ccsc1[C@@H]([NH3+])[C@@H](C)C(=O)[O-] 259568473 573787985 /nfs/dbraw/zinc/78/79/85/573787985.db2.gz YIWSZDLNAFKXKN-RQJHMYQMSA-N 0 0 199.275 1.777 10 0 ADAERN CCNC(=O)OC[C@H]1CCCCO1 308433993 573787988 /nfs/dbraw/zinc/78/79/88/573787988.db2.gz VBYRXRSXEWQLCQ-MRVPVSSYSA-N 0 0 187.239 1.302 10 0 ADAERN C[C@]12CCC[C@H](O1)C(=O)CC2 238517585 573788021 /nfs/dbraw/zinc/78/80/21/573788021.db2.gz BMCMPTXDBSYXAY-DTWKUNHWSA-N 0 0 154.209 1.677 10 0 ADAERN Nc1cc(C2CCC2)c[nH]c1=O 258425866 573788028 /nfs/dbraw/zinc/78/80/28/573788028.db2.gz CGVWZGFXBWJQPK-UHFFFAOYSA-N 0 0 164.208 1.637 10 0 ADAERN C[C@@]12CCC[C@@H](C1=O)[C@@H](O)C2 238517804 573788032 /nfs/dbraw/zinc/78/80/32/573788032.db2.gz JUHXMYUFAOFNQA-FJXKBIBVSA-N 0 0 154.209 1.127 10 0 ADAERN C[C@@H]1C[C@]1(C(=O)[O-])[C@H]1CCC[N@H+](C)C1 258943223 573788049 /nfs/dbraw/zinc/78/80/49/573788049.db2.gz CSQOCEKKIHAVCA-WCABBAIRSA-N 0 0 197.278 1.439 10 0 ADAERN CNC(=O)Nc1ccc(N)cc1OC 125103746 573788089 /nfs/dbraw/zinc/78/80/89/573788089.db2.gz VXHDUJOIZRSLHM-UHFFFAOYSA-N 0 0 195.222 1.029 10 0 ADAERN CC(C)CC[C@H](C)N1CN[C@@H](C)C1=O 127204258 573788093 /nfs/dbraw/zinc/78/80/93/573788093.db2.gz JFLFLPVYAAGRLD-UWVGGRQHSA-N 0 0 198.310 1.589 10 0 ADAERN CO[C@H](C)[C@H](C)NC(=O)C=C(C)C 308440246 573788113 /nfs/dbraw/zinc/78/81/13/573788113.db2.gz YRMADJKNSRYLGL-DTWKUNHWSA-N 0 0 185.267 1.492 10 0 ADAERN C[C@H]1Sc2cc(O)ccc2NC1=O 259187992 573788133 /nfs/dbraw/zinc/78/81/33/573788133.db2.gz JZPCBOVOOTWUIM-RXMQYKEDSA-N 0 0 195.243 1.825 10 0 ADAERN CC/C=C\CCOC 33840600 573788137 /nfs/dbraw/zinc/78/81/37/573788137.db2.gz KUPODEXLSGEWFR-PLNGDYQASA-N 0 0 114.188 1.989 10 0 ADAERN CCC[C@@H](C)N(C)C(=O)[C@H](O)CC 308433493 573788138 /nfs/dbraw/zinc/78/81/38/573788138.db2.gz UYLGJPSJSSKWIL-RKDXNWHRSA-N 0 0 187.283 1.404 10 0 ADAERN Cc1cc(O)n(C(C)C)c(=O)c1 100267078 573788147 /nfs/dbraw/zinc/78/81/47/573788147.db2.gz RBQYBQHTZMAHHD-UHFFFAOYSA-N 0 0 167.208 1.443 10 0 ADAERN C=C/C=C/CC(C(C)=O)C(C)=O 33840165 573788152 /nfs/dbraw/zinc/78/81/52/573788152.db2.gz FEJWXJKKSRPXLY-AATRIKPKSA-N 0 0 166.220 1.913 10 0 ADAERN CC/C(=C\C[NH2+]CC1(C)CC1)C(=O)[O-] 308434535 573789599 /nfs/dbraw/zinc/78/95/99/573789599.db2.gz JLDRSWGYJKYZJY-RUDMXATFSA-N 0 0 197.278 1.797 10 0 ADAERN CC(=O)Oc1cc(O)cc(F)c1 238114029 573788198 /nfs/dbraw/zinc/78/81/98/573788198.db2.gz QZKSTLJNTVJCDS-UHFFFAOYSA-N 0 0 170.139 1.457 10 0 ADAERN C[C@H]1CC=C(N)CC1 100286888 573788218 /nfs/dbraw/zinc/78/82/18/573788218.db2.gz JFNCRLYQBHZFEE-LURJTMIESA-N 0 0 111.188 1.649 10 0 ADAERN Cc1nc2cc(N(C)CO)ccc2o1 258941701 573788231 /nfs/dbraw/zinc/78/82/31/573788231.db2.gz QFRYJJFMFWDMOR-UHFFFAOYSA-N 0 0 192.218 1.522 10 0 ADAERN CC(C)(C)Nc1cnc2cccnn12 238113854 573788253 /nfs/dbraw/zinc/78/82/53/573788253.db2.gz NQYSCUVARYONIH-UHFFFAOYSA-N 0 0 190.250 1.940 10 0 ADAERN NC1=CCCCCC1 100286905 573788264 /nfs/dbraw/zinc/78/82/64/573788264.db2.gz LBOGZEQDXVHCJL-UHFFFAOYSA-N 0 0 111.188 1.793 10 0 ADAERN CCn1cccc1N 100286836 573788281 /nfs/dbraw/zinc/78/82/81/573788281.db2.gz BYACBQILPYRXBJ-UHFFFAOYSA-N 0 0 110.160 1.090 10 0 ADAERN CC(C)C1=C(O)C(C)(C)NC1=O 100267597 573788285 /nfs/dbraw/zinc/78/82/85/573788285.db2.gz ARBZQWHWZINNEQ-UHFFFAOYSA-N 0 0 169.224 1.363 10 0 ADAERN Cc1noc(N)c1C1CC1 258425961 573788287 /nfs/dbraw/zinc/78/82/87/573788287.db2.gz CIEREMOAWDSUER-UHFFFAOYSA-N 0 0 138.170 1.443 10 0 ADAERN CC(=O)C[C@@H](O)c1cc(F)ccc1O 238114923 573788314 /nfs/dbraw/zinc/78/83/14/573788314.db2.gz NROHLWHJPXVUIB-SNVBAGLBSA-N 0 0 198.193 1.544 10 0 ADAERN CC(O)=CC(=O)CCC(C)C 33839964 573788318 /nfs/dbraw/zinc/78/83/18/573788318.db2.gz WXXUVDCIAUPLNP-UHFFFAOYSA-N 0 0 156.225 1.971 10 0 ADAERN C[C@@]1(c2ccco2)NN=C(N)S1 238504433 573788322 /nfs/dbraw/zinc/78/83/22/573788322.db2.gz PYRWQLJCWCRIAU-SSDOTTSWSA-N 0 0 183.236 1.018 10 0 ADAERN CC(=O)c1cc([C@H]2CCSC2)n[nH]1 259187739 573788341 /nfs/dbraw/zinc/78/83/41/573788341.db2.gz JYFJMKIEFVGNCZ-ZETCQYMHSA-N 0 0 196.275 1.833 10 0 ADAERN CC(C)CC[C@@H](C)N1CN[C@@H](C)C1=O 127204673 573788366 /nfs/dbraw/zinc/78/83/66/573788366.db2.gz JFLFLPVYAAGRLD-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN Cc1ccc(Nc2cc(=O)[nH][nH]2)cc1 238518338 573788386 /nfs/dbraw/zinc/78/83/86/573788386.db2.gz FHXDQZHSQIQPHF-UHFFFAOYSA-N 0 0 189.218 1.240 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1CNc1cc[nH+]cc1 258944015 573788409 /nfs/dbraw/zinc/78/84/09/573788409.db2.gz TZYIFCKVFSDZIA-CBAPKCEASA-N 0 0 192.218 1.214 10 0 ADAERN Cn1cc(CO)c2c(O)cccc21 257874120 573788420 /nfs/dbraw/zinc/78/84/20/573788420.db2.gz IVJSSGBYIOISKI-UHFFFAOYSA-N 0 0 177.203 1.376 10 0 ADAERN CC(=O)C[C@@H](O)[C@H]1CCC=CO1 238114610 573788441 /nfs/dbraw/zinc/78/84/41/573788441.db2.gz LIORBEJDSNYXHS-RKDXNWHRSA-N 0 0 170.208 1.019 10 0 ADAERN COC(=O)CN(C)c1sccc1C 258943859 573788447 /nfs/dbraw/zinc/78/84/47/573788447.db2.gz QNMHWXUQNMUABH-UHFFFAOYSA-N 0 0 199.275 1.666 10 0 ADAERN CNC(=O)Nc1cc(Cl)ccc1N 125103022 573788461 /nfs/dbraw/zinc/78/84/61/573788461.db2.gz XQQDBOHCRMQXMY-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN Cc1ccc2c(c1C(=O)[O-])CC[C@@H]2[NH3+] 238504414 573788484 /nfs/dbraw/zinc/78/84/84/573788484.db2.gz ZPWQSOPDPWZGMD-VIFPVBQESA-N 0 0 191.230 1.639 10 0 ADAERN CNC(=O)Nc1c(C)ccc(N)c1C 125105251 573788499 /nfs/dbraw/zinc/78/84/99/573788499.db2.gz JKLHQHSTAZZVJZ-UHFFFAOYSA-N 0 0 193.250 1.637 10 0 ADAERN c1ccc2c(c1)NC1=NCC[C@H]12 238113417 573788511 /nfs/dbraw/zinc/78/85/11/573788511.db2.gz JPJMPZVAINKOAH-QMMMGPOBSA-N 0 0 158.204 1.998 10 0 ADAERN C[C@]12CCC[C@H](O)C1=CC[C@@H]2O 238517204 573788512 /nfs/dbraw/zinc/78/85/12/573788512.db2.gz YSHGUZHBWXXSCX-GUBZILKMSA-N 0 0 168.236 1.229 10 0 ADAERN CC[C@H](C)CN(C=O)CC 79274703 573788515 /nfs/dbraw/zinc/78/85/15/573788515.db2.gz NUYQBKHYMSITQW-QMMMGPOBSA-N 0 0 143.230 1.511 10 0 ADAERN COCCCC[C@@H]1CSC[C@@H]1O 131108616 573788519 /nfs/dbraw/zinc/78/85/19/573788519.db2.gz CMZGEZMBQYMSST-BDAKNGLRSA-N 0 0 190.308 1.527 10 0 ADAERN CCNC(=O)OC[C@@H]1CCCCO1 308433996 573788544 /nfs/dbraw/zinc/78/85/44/573788544.db2.gz VBYRXRSXEWQLCQ-QMMMGPOBSA-N 0 0 187.239 1.302 10 0 ADAERN C[C@]12CCC[C@H](O)[C@@H]1CCC2=O 238517306 573788551 /nfs/dbraw/zinc/78/85/51/573788551.db2.gz KAKDCKKWTWMXKE-NRPADANISA-N 0 0 168.236 1.517 10 0 ADAERN CC(=O)C[C@@H](O)c1cc(C)ccc1O 238114841 573788567 /nfs/dbraw/zinc/78/85/67/573788567.db2.gz SHMNYERWKDAGRM-LLVKDONJSA-N 0 0 194.230 1.713 10 0 ADAERN CCCN1C(=O)[C@H](C)N[C@]1(C)CCC 308742673 573788579 /nfs/dbraw/zinc/78/85/79/573788579.db2.gz PRBHVKYCVKVRQP-ONGXEEELSA-N 0 0 198.310 1.733 10 0 ADAERN CCCN1C(=O)[C@H](C)N[C@@]1(C)CCC 308742670 573790296 /nfs/dbraw/zinc/79/02/96/573790296.db2.gz PRBHVKYCVKVRQP-GXSJLCMTSA-N 0 0 198.310 1.733 10 0 ADAERN Cc1csc([C@]23C[C@H]2CNC3=O)c1 238517384 573788590 /nfs/dbraw/zinc/78/85/90/573788590.db2.gz PRZQHQMAWKCOHV-XVKPBYJWSA-N 0 0 193.271 1.444 10 0 ADAERN CNC(=O)Nc1ccc(Cl)cc1N 125104451 573788594 /nfs/dbraw/zinc/78/85/94/573788594.db2.gz IXUKHBVYMMKAKB-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN Clc1cc(NC2COC2)ccn1 122663248 573788598 /nfs/dbraw/zinc/78/85/98/573788598.db2.gz XVGKNQWGMHMUOE-UHFFFAOYSA-N 0 0 184.626 1.546 10 0 ADAERN Cc1cc2nc(Cl)nc(N)c2n1C 238518060 573788607 /nfs/dbraw/zinc/78/86/07/573788607.db2.gz FWDZYMUPUOZIDA-UHFFFAOYSA-N 0 0 196.641 1.512 10 0 ADAERN CC(=O)N[C@@H]1C=C[C@H]2CC[C@@H]1C2 238114345 573788624 /nfs/dbraw/zinc/78/86/24/573788624.db2.gz WTOPODOGXMIITK-OPRDCNLKSA-N 0 0 165.236 1.477 10 0 ADAERN C=C=C([C@H](O)CC(C)=O)[Si](C)(C)C 238113848 573788632 /nfs/dbraw/zinc/78/86/32/573788632.db2.gz SNJSKLKXSSGRDI-SECBINFHSA-N 0 0 198.338 1.915 10 0 ADAERN C[C@@H]1CCCC=C1N 100286895 573788648 /nfs/dbraw/zinc/78/86/48/573788648.db2.gz CCEHAFRGGIAIJT-ZCFIWIBFSA-N 0 0 111.188 1.649 10 0 ADAERN CCN1CCCC(=O)C1(C)C 258942504 573788660 /nfs/dbraw/zinc/78/86/60/573788660.db2.gz YFQLPCNPYZKEBH-UHFFFAOYSA-N 0 0 155.241 1.450 10 0 ADAERN C[C@H]1CCCC=C1N 100286897 573788676 /nfs/dbraw/zinc/78/86/76/573788676.db2.gz CCEHAFRGGIAIJT-LURJTMIESA-N 0 0 111.188 1.649 10 0 ADAERN CC[C@@H](C)ONC(=O)C[C@H](C)OC 308434717 573788708 /nfs/dbraw/zinc/78/87/08/573788708.db2.gz VLKDEYGYLPJDPP-SFYZADRCSA-N 0 0 189.255 1.258 10 0 ADAERN CC(=O)N[C@@H]1CC(=O)CC(C)(C)C1 238114461 573788717 /nfs/dbraw/zinc/78/87/17/573788717.db2.gz RXVZIRJGNGEJHT-MRVPVSSYSA-N 0 0 183.251 1.270 10 0 ADAERN C[C@H]1O[C@@H]1C[NH2+]Cc1ccccc1 238504537 573788720 /nfs/dbraw/zinc/78/87/20/573788720.db2.gz XOSWNKLZPALJQI-MWLCHTKSSA-N 0 0 177.247 1.564 10 0 ADAERN C[C@@H]1CC=C(N)CC1 100286892 573788724 /nfs/dbraw/zinc/78/87/24/573788724.db2.gz JFNCRLYQBHZFEE-ZCFIWIBFSA-N 0 0 111.188 1.649 10 0 ADAERN C[C@@]1(F)CCc2[nH]nc(C=O)c21 258426014 573788729 /nfs/dbraw/zinc/78/87/29/573788729.db2.gz CIZFZTAWEALCDB-MRVPVSSYSA-N 0 0 168.171 1.353 10 0 ADAERN C[C@@H]1C[C@@]1(C(=O)[O-])[C@@H]1CCC[N@H+](C)C1 258943221 573788738 /nfs/dbraw/zinc/78/87/38/573788738.db2.gz CSQOCEKKIHAVCA-KKZNHRDASA-N 0 0 197.278 1.439 10 0 ADAERN CC1(NC(=O)/C=C\C2CC2)CC1 388446875 573790301 /nfs/dbraw/zinc/79/03/01/573790301.db2.gz VYQZUMYZZNLCAC-PLNGDYQASA-N 0 0 165.236 1.621 10 0 ADAERN CC/C=C(\C)C(=O)NC[C@H](C)CO 213027262 573788752 /nfs/dbraw/zinc/78/87/52/573788752.db2.gz UKQONHAQKGDDBX-MOIHINDBSA-N 0 0 185.267 1.087 10 0 ADAERN CCC[C@@H](C)N(C)C(=O)[C@@H](O)CC 308433484 573788762 /nfs/dbraw/zinc/78/87/62/573788762.db2.gz UYLGJPSJSSKWIL-BDAKNGLRSA-N 0 0 187.283 1.404 10 0 ADAERN Cc1ccsc1[C@H]([NH3+])[C@@H](C)C(=O)[O-] 259568470 573788809 /nfs/dbraw/zinc/78/88/09/573788809.db2.gz YIWSZDLNAFKXKN-RNFRBKRXSA-N 0 0 199.275 1.777 10 0 ADAERN CC(C)=C1CCC(=O)[C@@]1(C)O 238120285 573788825 /nfs/dbraw/zinc/78/88/25/573788825.db2.gz PHVLSDQHEVYYIJ-VIFPVBQESA-N 0 0 154.209 1.437 10 0 ADAERN C[C@]1(c2nccs2)CC[NH2+]1 84178911 573788831 /nfs/dbraw/zinc/78/88/31/573788831.db2.gz JVPNHXFWAUUIIJ-SSDOTTSWSA-N 0 0 154.238 1.352 10 0 ADAERN CC(=O)Oc1cc(C)ccc1C(N)=O 238113486 573788859 /nfs/dbraw/zinc/78/88/59/573788859.db2.gz DPAJFEOAKOIAQN-UHFFFAOYSA-N 0 0 193.202 1.019 10 0 ADAERN CC(=O)[C@@H]1S[C@@H]1C 238517429 573788862 /nfs/dbraw/zinc/78/88/62/573788862.db2.gz BDNSDNPLSIGVTO-UHNVWZDZSA-N 0 0 116.185 1.079 10 0 ADAERN C/C(CC(C)(C)C)=C1\CC(=O)NC1=O 395004308 573788942 /nfs/dbraw/zinc/78/89/42/573788942.db2.gz GZJBMHYPTIAKSV-FPLPWBNLSA-N 0 0 195.262 1.786 10 0 ADAERN Cc1cccc(C(=O)[O-])c1C1([NH3+])CC1 238504413 573788949 /nfs/dbraw/zinc/78/89/49/573788949.db2.gz YLUINTIYTWJAIS-UHFFFAOYSA-N 0 0 191.230 1.641 10 0 ADAERN Cc1nn([C@H](C)[C@@H](C)O)cc1Cl 87138435 573788978 /nfs/dbraw/zinc/78/89/78/573788978.db2.gz XUIUZZPXFPAUBU-RNFRBKRXSA-N 0 0 188.658 1.787 10 0 ADAERN C[C@H](Sc1ccncc1N)[C@@H](C)O 87131241 573789005 /nfs/dbraw/zinc/78/90/05/573789005.db2.gz LKJWMJRVKYNSGW-RQJHMYQMSA-N 0 0 198.291 1.525 10 0 ADAERN CC(=O)Oc1cc(C)cc(C(N)=O)c1 238113233 573789022 /nfs/dbraw/zinc/78/90/22/573789022.db2.gz FWRWGXVORFJBDC-UHFFFAOYSA-N 0 0 193.202 1.019 10 0 ADAERN O=c1[nH]c2cc(Cl)ccc2o1 238517620 573789051 /nfs/dbraw/zinc/78/90/51/573789051.db2.gz DUBRRPPQAPWDSH-LURJTMIESA-N 0 0 169.567 1.270 10 0 ADAERN Cc1cc(C(F)F)nc(CO)c1O 238516846 573789056 /nfs/dbraw/zinc/78/90/56/573789056.db2.gz BZWNLLBGVLDUCE-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CNC(=O)Nc1cccc(N)c1C 125102753 573789081 /nfs/dbraw/zinc/78/90/81/573789081.db2.gz GRFDFVDIJHBEML-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN C[C@H](Sc1ncccc1N)[C@@H](C)O 87131245 573789126 /nfs/dbraw/zinc/78/91/26/573789126.db2.gz SAHZHWJUARYFBV-RQJHMYQMSA-N 0 0 198.291 1.525 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1ccc(N)nc1 87131251 573789130 /nfs/dbraw/zinc/78/91/30/573789130.db2.gz UUTKOAZGKXCQQF-RNFRBKRXSA-N 0 0 198.291 1.525 10 0 ADAERN COCNCc1ccc(C)o1 259185547 573789139 /nfs/dbraw/zinc/78/91/39/573789139.db2.gz VKMPRXKRPIXPCS-UHFFFAOYSA-N 0 0 155.197 1.282 10 0 ADAERN C[C@@]12C=C[C@@]1(C)C(=O)CC2 238504778 573789153 /nfs/dbraw/zinc/78/91/53/573789153.db2.gz IVMMCGLVJXQSOA-BDAKNGLRSA-N 0 0 136.194 1.932 10 0 ADAERN Cc1cc(Cl)nc(C)c1CO 238517107 573789172 /nfs/dbraw/zinc/78/91/72/573789172.db2.gz WPWFYRCXTUQACG-UHFFFAOYSA-N 0 0 171.627 1.844 10 0 ADAERN C[C@]12CCC(=O)[C@H]1CC(=O)C2 238504470 573789244 /nfs/dbraw/zinc/78/92/44/573789244.db2.gz KCFHJBHUMDTGKN-VXNVDRBHSA-N 0 0 152.193 1.335 10 0 ADAERN CC[C@H](COC)N[C@@H](C)c1ncon1 308724018 573789262 /nfs/dbraw/zinc/78/92/62/573789262.db2.gz FRYJUEGISBZVIL-JGVFFNPUSA-N 0 0 199.254 1.145 10 0 ADAERN COC(=O)N1CC(=O)CCC1(C)C 259187524 573789280 /nfs/dbraw/zinc/78/92/80/573789280.db2.gz PBMDYEXAYAPFJR-UHFFFAOYSA-N 0 0 185.223 1.196 10 0 ADAERN C[C@]12CCC[C@H](O)[C@H]1CC(=O)C2 238517470 573789311 /nfs/dbraw/zinc/78/93/11/573789311.db2.gz SGFWMMKKUAGNBB-KXUCPTDWSA-N 0 0 168.236 1.517 10 0 ADAERN Cc1nn([C@@H](C)[C@H](C)O)cc1Cl 87138437 573789337 /nfs/dbraw/zinc/78/93/37/573789337.db2.gz XUIUZZPXFPAUBU-BQBZGAKWSA-N 0 0 188.658 1.787 10 0 ADAERN CC[C@H](C(C)=O)[C@@H](C)[C@@H](C)O 87131725 573789370 /nfs/dbraw/zinc/78/93/70/573789370.db2.gz SQCXSOGLEUYNRF-OOZYFLPDSA-N 0 0 158.241 1.619 10 0 ADAERN C[C@H](Sc1ccc(N)nc1)[C@@H](C)O 87131253 573789377 /nfs/dbraw/zinc/78/93/77/573789377.db2.gz UUTKOAZGKXCQQF-RQJHMYQMSA-N 0 0 198.291 1.525 10 0 ADAERN Cc1cccc(C(=O)[O-])c1C1C[NH2+]C1 238504478 573789401 /nfs/dbraw/zinc/78/94/01/573789401.db2.gz QQPLPSWLBWEMHR-UHFFFAOYSA-N 0 0 191.230 1.380 10 0 ADAERN C[C@]12CCC[C@H](O)[C@@H]1CC[C@@H]2O 238517359 573789405 /nfs/dbraw/zinc/78/94/05/573789405.db2.gz WLGWJBYQVCQBTI-XKNYDFJKSA-N 0 0 170.252 1.308 10 0 ADAERN Cc1c(N)cc2[nH+]c[nH]c2c1N 238504666 573789415 /nfs/dbraw/zinc/78/94/15/573789415.db2.gz CWSNJBUQJBIMBB-UHFFFAOYSA-N 0 0 162.196 1.036 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1ccncc1N 87131239 573789424 /nfs/dbraw/zinc/78/94/24/573789424.db2.gz LKJWMJRVKYNSGW-RNFRBKRXSA-N 0 0 198.291 1.525 10 0 ADAERN CC(=O)C[C@H]1N=C(C)[C@@H](C)S1 238516969 573789439 /nfs/dbraw/zinc/78/94/39/573789439.db2.gz VATABQGMNDIEON-SFYZADRCSA-N 0 0 171.265 1.888 10 0 ADAERN O=c1[nH]cc([C@H]2CCSC2)c(=O)[nH]1 258430671 573789602 /nfs/dbraw/zinc/78/96/02/573789602.db2.gz DKCYYDBSBIWKEC-YFKPBYRVSA-N 0 0 198.247 1.108 10 0 ADAERN CCCN1C(=O)[C@@H](C)N[C@]1(C)CCC 308742671 573789623 /nfs/dbraw/zinc/78/96/23/573789623.db2.gz PRBHVKYCVKVRQP-KOLCDFICSA-N 0 0 198.310 1.733 10 0 ADAERN C[C@@H]1[C@@H](NC=O)[C@H]2CC[C@@H]1C2 238516929 573789630 /nfs/dbraw/zinc/78/96/30/573789630.db2.gz QVMZIDUZNJYPHO-UYXSQOIJSA-N 0 0 153.225 1.167 10 0 ADAERN Cc1cccc(C[C@H]([NH3+])C(=O)[O-])c1F 76160765 573789635 /nfs/dbraw/zinc/78/96/35/573789635.db2.gz JNSVFBLXKMOJKT-QMMMGPOBSA-N 0 0 197.209 1.089 10 0 ADAERN Cc1csc([C@@]23C[C@@H]2CNC3=O)c1 238517187 573789637 /nfs/dbraw/zinc/78/96/37/573789637.db2.gz PRZQHQMAWKCOHV-GMSGAONNSA-N 0 0 193.271 1.444 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1CNc1cc[nH+]cc1 258944025 573789671 /nfs/dbraw/zinc/78/96/71/573789671.db2.gz TZYIFCKVFSDZIA-VXNVDRBHSA-N 0 0 192.218 1.214 10 0 ADAERN O=C(NC1(Cl)CC1)C1CC1 238516898 573789685 /nfs/dbraw/zinc/78/96/85/573789685.db2.gz WUSCUZFCGPTBHI-UHFFFAOYSA-N 0 0 159.616 1.242 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\C(=O)[O-] 308434517 573789691 /nfs/dbraw/zinc/78/96/91/573789691.db2.gz IHGCKXPICSSUSF-UPINEFLWSA-N 0 0 197.278 1.796 10 0 ADAERN C[C@@H](O)[C@H](F)c1ccccc1O 258514798 573789707 /nfs/dbraw/zinc/78/97/07/573789707.db2.gz LRTPMIWTKMQBKL-MUWHJKNJSA-N 0 0 170.183 1.784 10 0 ADAERN Cc1ccc(NC(=O)NCO)cc1 238518224 573790690 /nfs/dbraw/zinc/79/06/90/573790690.db2.gz JGQDGSWGOXPTOB-UHFFFAOYSA-N 0 0 180.207 1.066 10 0 ADAERN COCCCC[C@@H]1CSC[C@H]1O 131108994 573789715 /nfs/dbraw/zinc/78/97/15/573789715.db2.gz CMZGEZMBQYMSST-RKDXNWHRSA-N 0 0 190.308 1.527 10 0 ADAERN Cc1cc(C(F)F)c(CO)[nH]c1=O 238504540 573789718 /nfs/dbraw/zinc/78/97/18/573789718.db2.gz FDWVPLFCGLQXPV-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CNC(=O)Nc1cc(N)ccc1C 125103540 573789758 /nfs/dbraw/zinc/78/97/58/573789758.db2.gz IHFCZYRDKQFNFX-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN CC(C)(CO)[C@@H]1CC[C@@](C)(O)C1 238120345 573789774 /nfs/dbraw/zinc/78/97/74/573789774.db2.gz JAZZJVQZAABLNX-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN CCCCCC(N)=CC(=O)OCC 215410355 573789777 /nfs/dbraw/zinc/78/97/77/573789777.db2.gz YZSHZWILFPQPQP-CMDGGOBGSA-N 0 0 185.267 1.972 10 0 ADAERN CC(C)=C/C=C(\C)OCCO 238117198 573789781 /nfs/dbraw/zinc/78/97/81/573789781.db2.gz UMQPMTHCYNQCHE-WEVVVXLNSA-N 0 0 156.225 1.865 10 0 ADAERN COCCCC[C@H]1CSC[C@H]1O 131109163 573789787 /nfs/dbraw/zinc/78/97/87/573789787.db2.gz CMZGEZMBQYMSST-DTWKUNHWSA-N 0 0 190.308 1.527 10 0 ADAERN CCCC[C@](C)(O)c1ncnn1C 214906690 573789792 /nfs/dbraw/zinc/78/97/92/573789792.db2.gz HPNPBYKJQNRSLV-VIFPVBQESA-N 0 0 183.255 1.213 10 0 ADAERN C[C@H](O)c1cc2ccc(O)cc2n1C 257874051 573789798 /nfs/dbraw/zinc/78/97/98/573789798.db2.gz ISXAYHUEIJYZBP-ZETCQYMHSA-N 0 0 191.230 1.937 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1ccsc1 87130655 573789815 /nfs/dbraw/zinc/78/98/15/573789815.db2.gz CHRBSZHULLQNBB-RNFRBKRXSA-N 0 0 171.265 1.929 10 0 ADAERN Cc1[nH]oc(=O)c1CC(C)C 100279127 573789822 /nfs/dbraw/zinc/78/98/22/573789822.db2.gz BAQZDKJXDAFYPB-UHFFFAOYSA-N 0 0 155.197 1.475 10 0 ADAERN C[C@H](Sc1ccc(N)cn1)[C@@H](C)O 87131249 573789824 /nfs/dbraw/zinc/78/98/24/573789824.db2.gz FDXMZVFZKBDVFP-RQJHMYQMSA-N 0 0 198.291 1.525 10 0 ADAERN CC(=O)N[C@@H]1CCCCCC[C@H]1O 238116284 573789834 /nfs/dbraw/zinc/78/98/34/573789834.db2.gz IGKOIWULSYHUIG-NXEZZACHSA-N 0 0 185.267 1.206 10 0 ADAERN CCc1cccc([C@H]2COC[C@H]2O)c1 687981601 573789842 /nfs/dbraw/zinc/78/98/42/573789842.db2.gz MKNGNNRJDASNTA-VXGBXAGGSA-N 0 0 192.258 1.724 10 0 ADAERN CC1(C)[C@H](O)CCCN1C(=O)C1CC1 259187298 573789864 /nfs/dbraw/zinc/78/98/64/573789864.db2.gz OXWLOAHDMOVBKX-SECBINFHSA-N 0 0 197.278 1.158 10 0 ADAERN O=c1nc(-c2ccccc2F)o[nH]1 257878092 573790702 /nfs/dbraw/zinc/79/07/02/573790702.db2.gz BCSRKYLGQIAQQR-UHFFFAOYSA-N 0 0 180.138 1.581 10 0 ADAERN C[C@@]1(n2cncn2)CCCC(=O)C1 238504653 573789870 /nfs/dbraw/zinc/78/98/70/573789870.db2.gz MLUPBADTTSAANU-SECBINFHSA-N 0 0 179.223 1.136 10 0 ADAERN Cc1cn(CC(C)(CO)CO)cc1C 308724777 573789871 /nfs/dbraw/zinc/78/98/71/573789871.db2.gz GAULIAHINUKSFE-UHFFFAOYSA-N 0 0 197.278 1.096 10 0 ADAERN C/C=C(/C)c1nnc(CCOC)o1 308434724 573789872 /nfs/dbraw/zinc/78/98/72/573789872.db2.gz VLNVXRZJWXZIDB-DAXSKMNVSA-N 0 0 182.223 1.682 10 0 ADAERN CCc1cccc([C@@H]2COC[C@@H]2O)c1 687981600 573789874 /nfs/dbraw/zinc/78/98/74/573789874.db2.gz MKNGNNRJDASNTA-RYUDHWBXSA-N 0 0 192.258 1.724 10 0 ADAERN CC(C)(C)c1c[nH]cc(C=O)c1=O 238116366 573789894 /nfs/dbraw/zinc/78/98/94/573789894.db2.gz IPQWPCCVVRGCHN-UHFFFAOYSA-N 0 0 179.219 1.485 10 0 ADAERN CCCc1cn(C)nc1C=O 257874181 573789909 /nfs/dbraw/zinc/78/99/09/573789909.db2.gz YUGLZCMHZDDOJC-UHFFFAOYSA-N 0 0 152.197 1.185 10 0 ADAERN COc1ccccc1SCNC=O 215380629 573789951 /nfs/dbraw/zinc/78/99/51/573789951.db2.gz AGPDTNFVLWIJOZ-UHFFFAOYSA-N 0 0 197.259 1.491 10 0 ADAERN Cc1c(N)cc(CO)nc1C(F)F 238517553 573789954 /nfs/dbraw/zinc/78/99/54/573789954.db2.gz LJOCBPOZXKVORN-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]1CNc1cc[nH+]cc1 258944020 573789963 /nfs/dbraw/zinc/78/99/63/573789963.db2.gz TZYIFCKVFSDZIA-IONNQARKSA-N 0 0 192.218 1.214 10 0 ADAERN CC(C)=C1CCC(=O)[C@]1(C)O 238120366 573789979 /nfs/dbraw/zinc/78/99/79/573789979.db2.gz PHVLSDQHEVYYIJ-SECBINFHSA-N 0 0 154.209 1.437 10 0 ADAERN Cn1ccc2c1CCCCC2=O 238517847 573789994 /nfs/dbraw/zinc/78/99/94/573789994.db2.gz QIQSJPLSUBKGBU-UHFFFAOYSA-N 0 0 163.220 1.934 10 0 ADAERN CC(C)C(=O)C[C@@H](C)[C@H](C)O 87131719 573789995 /nfs/dbraw/zinc/78/99/95/573789995.db2.gz VMSMDVBUPCLIQM-SFYZADRCSA-N 0 0 158.241 1.619 10 0 ADAERN C[Si](C)(C)C1CC(O)C1 238521452 573790005 /nfs/dbraw/zinc/79/00/05/573790005.db2.gz VTFKFEXVVNMEAZ-UHFFFAOYSA-N 0 0 144.290 1.850 10 0 ADAERN Cc1cccn2nc(CO)cc12 238504507 573790009 /nfs/dbraw/zinc/79/00/09/573790009.db2.gz GQCQAWWQCZZNNA-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cc1c(N)cc(C=O)nc1C(F)F 238517335 573790061 /nfs/dbraw/zinc/79/00/61/573790061.db2.gz NBCUGKMVMSPURM-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C=C/C=C/[C@H]1CCC(=O)N1CCCO 214454996 573790076 /nfs/dbraw/zinc/79/00/76/573790076.db2.gz JXAFZLWGUUKBQU-GFAPAMAISA-N 0 0 195.262 1.102 10 0 ADAERN CC1=N[C@@H](C)S[C@@H]1CCO 238517275 573790112 /nfs/dbraw/zinc/79/01/12/573790112.db2.gz VQAPNSCSWPDGQM-RNFRBKRXSA-N 0 0 159.254 1.291 10 0 ADAERN CC(=O)C1=C(C)C(C(C)=O)C(=O)N1 238116806 573790144 /nfs/dbraw/zinc/79/01/44/573790144.db2.gz KPQRCXAISRMBRG-UHFFFAOYSA-N 0 0 181.191 1.434 10 0 ADAERN C=Cn1nc(C)c(CO)c1C 238517029 573790167 /nfs/dbraw/zinc/79/01/67/573790167.db2.gz JHTJKCNGXCISFJ-UHFFFAOYSA-N 0 0 152.197 1.093 10 0 ADAERN CC1(C[NH2+]C/C=C\C(=O)[O-])CCCC1 308439931 573790205 /nfs/dbraw/zinc/79/02/05/573790205.db2.gz YKBRPCKXOHYGDH-PLNGDYQASA-N 0 0 197.278 1.797 10 0 ADAERN COC[N@H+](C)C1CCCCC1 259185480 573790208 /nfs/dbraw/zinc/79/02/08/573790208.db2.gz VJPDGFCCEXWOLB-UHFFFAOYSA-N 0 0 157.257 1.855 10 0 ADAERN Cc1nn([C@H](C)[C@H](C)O)cc1Cl 87138441 573790231 /nfs/dbraw/zinc/79/02/31/573790231.db2.gz XUIUZZPXFPAUBU-RQJHMYQMSA-N 0 0 188.658 1.787 10 0 ADAERN CC(=O)N[C@@H]1CCCC[C@H]1CCO 238116829 573790235 /nfs/dbraw/zinc/79/02/35/573790235.db2.gz XIYKHUYYESBAJB-VHSXEESVSA-N 0 0 185.267 1.064 10 0 ADAERN CC[C@H](C)ONC(=O)C[C@@H](C)OC 308434715 573790295 /nfs/dbraw/zinc/79/02/95/573790295.db2.gz VLKDEYGYLPJDPP-JGVFFNPUSA-N 0 0 189.255 1.258 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1ccc(N)cn1 87131246 573790311 /nfs/dbraw/zinc/79/03/11/573790311.db2.gz FDXMZVFZKBDVFP-NKWVEPMBSA-N 0 0 198.291 1.525 10 0 ADAERN CC(=O)C[C@@H]1CC=C[C@@H]1C(C)=O 238116417 573790315 /nfs/dbraw/zinc/79/03/15/573790315.db2.gz ODRUMCRMXDMZOG-VHSXEESVSA-N 0 0 166.220 1.747 10 0 ADAERN CC[C@H](C(=O)OC)N(C)CCCF 308433526 573790345 /nfs/dbraw/zinc/79/03/45/573790345.db2.gz UZFJWRIDFAXPGX-MRVPVSSYSA-N 0 0 191.246 1.229 10 0 ADAERN CC(C)N1CS/C1=C/[N+](=O)[O-] 100268434 573790371 /nfs/dbraw/zinc/79/03/71/573790371.db2.gz CTZKSPCMVGDDMW-ZZXKWVIFSA-N 0 0 174.225 1.477 10 0 ADAERN C[C@H]1C[C@@]2(C)NC(=O)[C@@H](C)[C@@H]12 238517367 573790374 /nfs/dbraw/zinc/79/03/74/573790374.db2.gz MGBZOYHPRHAEKV-XZMZPDFPSA-N 0 0 153.225 1.167 10 0 ADAERN C[C@H]1O[C@@H]1[C@@H](O)C(C)(C)C 238504806 573790383 /nfs/dbraw/zinc/79/03/83/573790383.db2.gz GPFFWJGPIBWMKU-DSYKOEDSSA-N 0 0 144.214 1.181 10 0 ADAERN O=c1[nH]c2cc(Cl)ccc2o1 238517643 573790424 /nfs/dbraw/zinc/79/04/24/573790424.db2.gz DUBRRPPQAPWDSH-ZCFIWIBFSA-N 0 0 169.567 1.270 10 0 ADAERN Nc1ncccc1NC[C@@H]1CCCO1 122672478 573790435 /nfs/dbraw/zinc/79/04/35/573790435.db2.gz YKWADUJAMIWYKL-QMMMGPOBSA-N 0 0 193.250 1.255 10 0 ADAERN Cc1ccccc1-n1ccc(CO)n1 84179424 573790439 /nfs/dbraw/zinc/79/04/39/573790439.db2.gz XQZUJPHFCBPPRK-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN CC/C(=C/c1ccnc(C)n1)CO 125098404 573790457 /nfs/dbraw/zinc/79/04/57/573790457.db2.gz YTZJMRSDAUFMLO-TWGQIWQCSA-N 0 0 178.235 1.571 10 0 ADAERN CC(C)(C)O[C@@H]1OCCC[C@H]1O 238116810 573790483 /nfs/dbraw/zinc/79/04/83/573790483.db2.gz HWCYGPOFBMFXTK-SFYZADRCSA-N 0 0 174.240 1.299 10 0 ADAERN C/C=C(\C)c1nnc(CCOC)o1 308434725 573790514 /nfs/dbraw/zinc/79/05/14/573790514.db2.gz VLNVXRZJWXZIDB-QPJJXVBHSA-N 0 0 182.223 1.682 10 0 ADAERN CNC(=O)Nc1ccc(N)cc1C 125102226 573790523 /nfs/dbraw/zinc/79/05/23/573790523.db2.gz JLLNVQKCQZYIGS-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN CC(=O)N[C@@H]1CCCCCC[C@@H]1O 238116258 573790525 /nfs/dbraw/zinc/79/05/25/573790525.db2.gz IGKOIWULSYHUIG-ZJUUUORDSA-N 0 0 185.267 1.206 10 0 ADAERN Cc1c2[nH]cccc-2[nH]c1=O 108460431 573790535 /nfs/dbraw/zinc/79/05/35/573790535.db2.gz LBGWKDDNYFOHOA-RXMQYKEDSA-N 0 0 148.165 1.137 10 0 ADAERN CCc1cccc([C@@H]2COC[C@H]2O)c1 687981598 573790552 /nfs/dbraw/zinc/79/05/52/573790552.db2.gz MKNGNNRJDASNTA-NWDGAFQWSA-N 0 0 192.258 1.724 10 0 ADAERN Cc1nn(C)c(C)c1O[C@@H](C)[C@@H](C)O 87139360 573790572 /nfs/dbraw/zinc/79/05/72/573790572.db2.gz SCGLKFUEEFCUKZ-BDAKNGLRSA-N 0 0 198.266 1.185 10 0 ADAERN CC(C)(C)OC(=O)C1=C[C@@H](O)CC1 238116797 573790579 /nfs/dbraw/zinc/79/05/79/573790579.db2.gz 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258943225 573790747 /nfs/dbraw/zinc/79/07/47/573790747.db2.gz CSQOCEKKIHAVCA-YWVKMMECSA-N 0 0 197.278 1.439 10 0 ADAERN CC(=O)c1[nH]c(C(C)=O)c(O)c1C 238116532 573790749 /nfs/dbraw/zinc/79/07/49/573790749.db2.gz NMUNTTRMRHQRAX-UHFFFAOYSA-N 0 0 181.191 1.434 10 0 ADAERN C[C@H](O)[C@H](C)Sc1ccc(N)cn1 87131248 573790755 /nfs/dbraw/zinc/79/07/55/573790755.db2.gz FDXMZVFZKBDVFP-BQBZGAKWSA-N 0 0 198.291 1.525 10 0 ADAERN CCC1=C(C)C(C=O)NC1=O 100284582 573790760 /nfs/dbraw/zinc/79/07/60/573790760.db2.gz CXVZZKZMHBGEIP-QPJJXVBHSA-N 0 0 153.181 1.242 10 0 ADAERN CC(C)(C)OC(=O)C1=CCCC[C@H]1O 238116753 573790773 /nfs/dbraw/zinc/79/07/73/573790773.db2.gz FUHCCXNAPHXHET-SECBINFHSA-N 0 0 198.262 1.799 10 0 ADAERN CCC(CC)NC(=O)C1=CCCO1 308434263 573790794 /nfs/dbraw/zinc/79/07/94/573790794.db2.gz VGDJAVCOJCCVKP-UHFFFAOYSA-N 0 0 183.251 1.595 10 0 ADAERN Cc1cc2nc(Cl)nc(N)c2[nH]1 238518024 573790796 /nfs/dbraw/zinc/79/07/96/573790796.db2.gz JEMTYCGXDGUBCV-UHFFFAOYSA-N 0 0 182.614 1.502 10 0 ADAERN 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176.175 1.505 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ccsc1 87130660 573790951 /nfs/dbraw/zinc/79/09/51/573790951.db2.gz CHRBSZHULLQNBB-RQJHMYQMSA-N 0 0 171.265 1.929 10 0 ADAERN CC(=C=CC(C)C)CO 238117002 573790953 /nfs/dbraw/zinc/79/09/53/573790953.db2.gz NLRHMLCXUGKVOP-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN CC1=N[C@@H](C)S[C@H]1CCO 238516988 573790954 /nfs/dbraw/zinc/79/09/54/573790954.db2.gz VQAPNSCSWPDGQM-RQJHMYQMSA-N 0 0 159.254 1.291 10 0 ADAERN CCOCC(=O)N(CC(C)C)OC 393589898 573790955 /nfs/dbraw/zinc/79/09/55/573790955.db2.gz LCKUQWUYWJXCNX-UHFFFAOYSA-N 0 0 189.255 1.069 10 0 ADAERN CC(=O)Nc1ccc2c(c1)CC2 238116420 573790960 /nfs/dbraw/zinc/79/09/60/573790960.db2.gz QDAPWAAQRIUQGR-UHFFFAOYSA-N 0 0 161.204 1.744 10 0 ADAERN CCN1C[C@@H](C(C)C)N(C)C1=O 259187834 573790964 /nfs/dbraw/zinc/79/09/64/573790964.db2.gz ALTFGVWOJSPCJH-QMMMGPOBSA-N 0 0 170.256 1.398 10 0 ADAERN CNc1nccc(N2CC[C@@H](F)C2)n1 689822670 573790984 /nfs/dbraw/zinc/79/09/84/573790984.db2.gz ABSAAKSTHPXWSG-SSDOTTSWSA-N 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/nfs/dbraw/zinc/79/10/49/573791049.db2.gz DMKADZUHHSNFNU-UHFFFAOYSA-N 0 0 175.235 1.990 10 0 ADAERN CC(C)(C)OC(=O)C1=CCCC[C@@H]1O 238116723 573791056 /nfs/dbraw/zinc/79/10/56/573791056.db2.gz FUHCCXNAPHXHET-VIFPVBQESA-N 0 0 198.262 1.799 10 0 ADAERN CC(C)(CO)[C@@H]1CC[C@H](O)C1 238120378 573791064 /nfs/dbraw/zinc/79/10/64/573791064.db2.gz CEGDSWRJDBUUMJ-SFYZADRCSA-N 0 0 158.241 1.166 10 0 ADAERN Cn1ccc(-c2ccc(N)o2)n1 238517308 573791068 /nfs/dbraw/zinc/79/10/68/573791068.db2.gz XFLXCOIASHLQPH-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1cccnc1 87139274 573791070 /nfs/dbraw/zinc/79/10/70/573791070.db2.gz UVYZBGNUERYYIX-HTQZYQBOSA-N 0 0 167.208 1.230 10 0 ADAERN CCC[C@H](C)N(C)C(=O)[C@H](O)CC 308433486 573791076 /nfs/dbraw/zinc/79/10/76/573791076.db2.gz UYLGJPSJSSKWIL-DTWKUNHWSA-N 0 0 187.283 1.404 10 0 ADAERN CC(=O)c1c(=O)on2ccccc12 238117212 573791101 /nfs/dbraw/zinc/79/11/01/573791101.db2.gz KSYUEHARINBKBM-UHFFFAOYSA-N 0 0 177.159 1.095 10 0 ADAERN 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10 0 ADAERN CC(C)/C=C\C(=O)OC1CC1 78193761 573791217 /nfs/dbraw/zinc/79/12/17/573791217.db2.gz LVZKKXKYBCIGPJ-UTCJRWHESA-N 0 0 154.209 1.904 10 0 ADAERN CC(C)(C)OC(=O)C1=C[C@H](O)CC1 238116828 573791232 /nfs/dbraw/zinc/79/12/32/573791232.db2.gz PZNVUEPUOAZDGJ-MRVPVSSYSA-N 0 0 184.235 1.409 10 0 ADAERN CC[C@@H](C)ONC(=O)C[C@@H](C)OC 308434714 573791234 /nfs/dbraw/zinc/79/12/34/573791234.db2.gz VLKDEYGYLPJDPP-HTQZYQBOSA-N 0 0 189.255 1.258 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1ccc(N)nc1 87131250 573791244 /nfs/dbraw/zinc/79/12/44/573791244.db2.gz UUTKOAZGKXCQQF-NKWVEPMBSA-N 0 0 198.291 1.525 10 0 ADAERN C[C@]12CCC[C@H](O)[C@@H]1CC(=O)C2 238517282 573791261 /nfs/dbraw/zinc/79/12/61/573791261.db2.gz SGFWMMKKUAGNBB-LPEHRKFASA-N 0 0 168.236 1.517 10 0 ADAERN C[C@@H](O)[C@@H](C)n1cc(Cl)cn1 87138239 573791262 /nfs/dbraw/zinc/79/12/62/573791262.db2.gz RFTKIRUZVQYPFL-PHDIDXHHSA-N 0 0 174.631 1.478 10 0 ADAERN CC(=O)C[C@@H]1CC=C[C@H]1C(C)=O 238116481 573791269 /nfs/dbraw/zinc/79/12/69/573791269.db2.gz ODRUMCRMXDMZOG-UWVGGRQHSA-N 0 0 166.220 1.747 10 0 ADAERN COc1ccccc1C1(OC)COC1 258514840 573792032 /nfs/dbraw/zinc/79/20/32/573792032.db2.gz GLNWSOVXGDZBOY-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN CCC(=O)C[C@@H](C)[C@H](C)O 87131715 573791279 /nfs/dbraw/zinc/79/12/79/573791279.db2.gz VZPXZAOPDGPOMM-RQJHMYQMSA-N 0 0 144.214 1.373 10 0 ADAERN CC(C)(C)O[C@@H]1OCCC[C@@H]1O 238116784 573791280 /nfs/dbraw/zinc/79/12/80/573791280.db2.gz HWCYGPOFBMFXTK-YUMQZZPRSA-N 0 0 174.240 1.299 10 0 ADAERN CN[C@@H](N)c1cc(C)ccc1OC 259185263 573791281 /nfs/dbraw/zinc/79/12/81/573791281.db2.gz FKWKVKGGAGWOMA-SNVBAGLBSA-N 0 0 180.251 1.180 10 0 ADAERN Cc1nn(C)c(C)c1O[C@H](C)[C@H](C)O 87139367 573791292 /nfs/dbraw/zinc/79/12/92/573791292.db2.gz SCGLKFUEEFCUKZ-DTWKUNHWSA-N 0 0 198.266 1.185 10 0 ADAERN Cc1cc(C(F)F)c(CO)nc1F 238504462 573791303 /nfs/dbraw/zinc/79/13/03/573791303.db2.gz TWLNMNJLQNAQLS-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C[C@H](O)[C@H](C)Sc1ccncc1N 87131240 573791336 /nfs/dbraw/zinc/79/13/36/573791336.db2.gz LKJWMJRVKYNSGW-BQBZGAKWSA-N 0 0 198.291 1.525 10 0 ADAERN CC(=O)C[C@@H]1CCC(C)(C)O1 238116620 573791347 /nfs/dbraw/zinc/79/13/47/573791347.db2.gz XAMFJUSKPBDEJY-QMMMGPOBSA-N 0 0 156.225 1.923 10 0 ADAERN CCc1cccc([C@H]2COC[C@@H]2O)c1 687981590 573791352 /nfs/dbraw/zinc/79/13/52/573791352.db2.gz MKNGNNRJDASNTA-NEPJUHHUSA-N 0 0 192.258 1.724 10 0 ADAERN CNC(=O)Nc1cc(C=O)ccc1F 257874343 573791369 /nfs/dbraw/zinc/79/13/69/573791369.db2.gz UELXNAJGNMKNTO-UHFFFAOYSA-N 0 0 196.181 1.390 10 0 ADAERN C[C@H]1C[C@@]2(C)OC=C[C@@H]1CC2=O 238517392 573791371 /nfs/dbraw/zinc/79/13/71/573791371.db2.gz KEVSZFCZIDRXTF-QXFUBDJGSA-N 0 0 166.220 1.904 10 0 ADAERN CN(CO)Cc1ccc2ncoc2c1 258946296 573791399 /nfs/dbraw/zinc/79/13/99/573791399.db2.gz QYVDCZIYCFIZEB-UHFFFAOYSA-N 0 0 192.218 1.209 10 0 ADAERN Cc1ccc(-n2ccc(CO)n2)cc1 84179364 573791400 /nfs/dbraw/zinc/79/14/00/573791400.db2.gz ZNCCWIGBKMHMPI-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1ncccc1N 87131242 573791415 /nfs/dbraw/zinc/79/14/15/573791415.db2.gz SAHZHWJUARYFBV-NKWVEPMBSA-N 0 0 198.291 1.525 10 0 ADAERN OCCC(F)(F)c1ccc[nH]1 258945549 573791418 /nfs/dbraw/zinc/79/14/18/573791418.db2.gz DDXCZQPSBOJCPA-UHFFFAOYSA-N 0 0 161.151 1.489 10 0 ADAERN OC1(c2cccc(Cl)c2)COC1 258826614 573791448 /nfs/dbraw/zinc/79/14/48/573791448.db2.gz ZJCSOVZRLWERAS-UHFFFAOYSA-N 0 0 184.622 1.558 10 0 ADAERN COC[C@@H](C)C[C@@H](CC(C)C)NN 127298532 573791458 /nfs/dbraw/zinc/79/14/58/573791458.db2.gz XJBDDVXRBKQBAM-VHSXEESVSA-N 0 0 188.315 1.537 10 0 ADAERN Cc1nn(C)c(C)c1O[C@H](C)[C@@H](C)O 87139363 573791503 /nfs/dbraw/zinc/79/15/03/573791503.db2.gz SCGLKFUEEFCUKZ-RKDXNWHRSA-N 0 0 198.266 1.185 10 0 ADAERN CCc1c2[nH]c(OC)ccc-2[nH]c1=O 108460435 573791522 /nfs/dbraw/zinc/79/15/22/573791522.db2.gz WPQFSJWDAVLMNE-ZCFIWIBFSA-N 0 0 192.218 1.536 10 0 ADAERN C[C@H]1CC(=S)N(C)C1=S 100292281 573791564 /nfs/dbraw/zinc/79/15/64/573791564.db2.gz NKLXQMFENJIAOJ-BYPYZUCNSA-N 0 0 159.279 1.613 10 0 ADAERN CCCCNC(=O)[C@H]1CCC1(F)F 308434000 573791568 /nfs/dbraw/zinc/79/15/68/573791568.db2.gz VCCJNONCSPTIKX-SSDOTTSWSA-N 0 0 191.221 1.948 10 0 ADAERN CCCN1C(=O)[C@@H](C)N[C@@]1(C)CCC 308742672 573791569 /nfs/dbraw/zinc/79/15/69/573791569.db2.gz PRBHVKYCVKVRQP-MWLCHTKSSA-N 0 0 198.310 1.733 10 0 ADAERN COC(=O)CC(=O)C(F)(F)F 100294372 573791579 /nfs/dbraw/zinc/79/15/79/573791579.db2.gz FPKPXWNDKNKZPT-NSCUHMNNSA-N 0 0 170.086 1.164 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)C2CCC2)C1 308434359 573791613 /nfs/dbraw/zinc/79/16/13/573791613.db2.gz VIKIMUOVAOVEBB-DTORHVGOSA-N 0 0 184.235 1.507 10 0 ADAERN C[C@H]1CNc2cc(O)ccc2N(C)C1 259188217 573791631 /nfs/dbraw/zinc/79/16/31/573791631.db2.gz KBJBEEJIADXDJN-QMMMGPOBSA-N 0 0 192.262 1.890 10 0 ADAERN Cc1ccsc1CN(C)CO 258946201 573791634 /nfs/dbraw/zinc/79/16/34/573791634.db2.gz QSYPPLWVIWJPOD-UHFFFAOYSA-N 0 0 171.265 1.438 10 0 ADAERN O=C1[C@@H](O)CCCN1C1CCCCC1 259187639 573791673 /nfs/dbraw/zinc/79/16/73/573791673.db2.gz BMRMMIAQOWUOGX-JTQLQIEISA-N 0 0 197.278 1.302 10 0 ADAERN COC(=O)C/C=C\[C@@H]1CCOC1 258130244 573791684 /nfs/dbraw/zinc/79/16/84/573791684.db2.gz IZIBVITUBXNKMQ-YAJNLLPGSA-N 0 0 170.208 1.142 10 0 ADAERN CCC(=O)C(C)(C)[C@@H](O)n1cccc1 35784465 573791688 /nfs/dbraw/zinc/79/16/88/573791688.db2.gz XAGQBGGWRDFETH-SNVBAGLBSA-N 0 0 195.262 1.984 10 0 ADAERN Cc1nn(C)c(C)c1O[C@@H](C)[C@H](C)O 87139366 573791705 /nfs/dbraw/zinc/79/17/05/573791705.db2.gz SCGLKFUEEFCUKZ-IUCAKERBSA-N 0 0 198.266 1.185 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@@H](C)CO 393589822 573791715 /nfs/dbraw/zinc/79/17/15/573791715.db2.gz XFGZFWSLZQSDBW-CIUDSAMLSA-N 0 0 160.257 1.412 10 0 ADAERN CC(=O)[C@]1(Cl)CCCC[C@@H]1O 238103159 573791726 /nfs/dbraw/zinc/79/17/26/573791726.db2.gz IZQODLUQVXODPQ-JGVFFNPUSA-N 0 0 176.643 1.488 10 0 ADAERN CC[C@@H](COC)N[C@H](C)c1ncon1 308724021 573791728 /nfs/dbraw/zinc/79/17/28/573791728.db2.gz FRYJUEGISBZVIL-SFYZADRCSA-N 0 0 199.254 1.145 10 0 ADAERN Cc1cc2nc(N)nc(Cl)c2o1 238518351 573791735 /nfs/dbraw/zinc/79/17/35/573791735.db2.gz CAEVBLQMOROKPQ-UHFFFAOYSA-N 0 0 183.598 1.767 10 0 ADAERN C[C@H](O)[C@H](C)Sc1ccc(N)nc1 87131252 573791748 /nfs/dbraw/zinc/79/17/48/573791748.db2.gz UUTKOAZGKXCQQF-BQBZGAKWSA-N 0 0 198.291 1.525 10 0 ADAERN Cn1nc(CC(C)(C)C)cc1CO 258424800 573791761 /nfs/dbraw/zinc/79/17/61/573791761.db2.gz FFXFRDXFIBPZCH-UHFFFAOYSA-N 0 0 182.267 1.501 10 0 ADAERN O=c1[nH]cc([C@@H]2CCSC2)c(=O)[nH]1 258430670 573791770 /nfs/dbraw/zinc/79/17/70/573791770.db2.gz DKCYYDBSBIWKEC-RXMQYKEDSA-N 0 0 198.247 1.108 10 0 ADAERN CC(C)(C(N)=O)[C@H]1C=CCC1 238102582 573791786 /nfs/dbraw/zinc/79/17/86/573791786.db2.gz NJNMNRFIJVUUGV-ZETCQYMHSA-N 0 0 153.225 1.464 10 0 ADAERN Cc1cccc(-n2ccc(CO)n2)c1 84179392 573791792 /nfs/dbraw/zinc/79/17/92/573791792.db2.gz VSKWIVCFFXCMPO-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN CC(=O)CC[C@@]1(C)OC1(C)C 238104110 573791794 /nfs/dbraw/zinc/79/17/94/573791794.db2.gz LTEBYLYINUYIRN-SECBINFHSA-N 0 0 156.225 1.923 10 0 ADAERN Cc1nn([C@@H](C)[C@@H](C)O)cc1Cl 87138432 573791802 /nfs/dbraw/zinc/79/18/02/573791802.db2.gz XUIUZZPXFPAUBU-NKWVEPMBSA-N 0 0 188.658 1.787 10 0 ADAERN CNC(=O)Nc1c(C)cccc1N 125106428 573791805 /nfs/dbraw/zinc/79/18/05/573791805.db2.gz NKJCSWJZXIWBLY-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN CCC(=O)C[C@@H](C)[C@@H](C)O 87131713 573791839 /nfs/dbraw/zinc/79/18/39/573791839.db2.gz VZPXZAOPDGPOMM-RNFRBKRXSA-N 0 0 144.214 1.373 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1C[NH2+]CC1CCCC1 258949224 573791857 /nfs/dbraw/zinc/79/18/57/573791857.db2.gz UNQPUYRSDAKUJR-UWVGGRQHSA-N 0 0 197.278 1.487 10 0 ADAERN Oc1ccc([C@H]2CNOC2)cc1 258426237 573791858 /nfs/dbraw/zinc/79/18/58/573791858.db2.gz CLAJULKZBKKBDR-QMMMGPOBSA-N 0 0 165.192 1.011 10 0 ADAERN CO[C@H](C)CNC(=O)[C@@H]1CC1(C)C 308434391 573791865 /nfs/dbraw/zinc/79/18/65/573791865.db2.gz VKANGEYHWYDGSY-SFYZADRCSA-N 0 0 185.267 1.184 10 0 ADAERN Cc1cccc([C@H](NN)N(C)C)c1 259188257 573791866 /nfs/dbraw/zinc/79/18/66/573791866.db2.gz NOQQDJXAHNMYSP-SNVBAGLBSA-N 0 0 179.267 1.019 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1cc[nH]c1 238104824 573791878 /nfs/dbraw/zinc/79/18/78/573791878.db2.gz IXQXYVINESMVLM-SSDOTTSWSA-N 0 0 182.223 1.125 10 0 ADAERN CN(O)Cc1ccc(OCCF)cc1 214971134 573791893 /nfs/dbraw/zinc/79/18/93/573791893.db2.gz MNTJKXFFNZSSBY-UHFFFAOYSA-N 0 0 199.225 1.856 10 0 ADAERN CC(C)C1(/C=C/CO)CC1 238103948 573791909 /nfs/dbraw/zinc/79/19/09/573791909.db2.gz APZDQYIWYHDXID-ONEGZZNKSA-N 0 0 140.226 1.971 10 0 ADAERN CCC(=O)C[C@H](C)[C@@H](C)O 87131714 573791914 /nfs/dbraw/zinc/79/19/14/573791914.db2.gz VZPXZAOPDGPOMM-NKWVEPMBSA-N 0 0 144.214 1.373 10 0 ADAERN C[N@@H+](C/C=C\c1ccco1)CCO 308434238 573791919 /nfs/dbraw/zinc/79/19/19/573791919.db2.gz VFQZCNBZTOYPDN-RQOWECAXSA-N 0 0 181.235 1.217 10 0 ADAERN C[C@H](O)[C@H](C)Nc1ccsc1 87130657 573791928 /nfs/dbraw/zinc/79/19/28/573791928.db2.gz CHRBSZHULLQNBB-BQBZGAKWSA-N 0 0 171.265 1.929 10 0 ADAERN CNC(=O)N[C@@H](C)c1ccc(N)cc1 125106858 573791938 /nfs/dbraw/zinc/79/19/38/573791938.db2.gz VLGPXJYQKZRVJD-ZETCQYMHSA-N 0 0 193.250 1.259 10 0 ADAERN Cc1cc(C2=NO[C@@H](CO)C2)c(C)o1 238518489 573791960 /nfs/dbraw/zinc/79/19/60/573791960.db2.gz OOEVVZDDLMAZBB-MRVPVSSYSA-N 0 0 195.218 1.382 10 0 ADAERN CNC(=O)Nc1ccc(C)cc1N 125106643 573791968 /nfs/dbraw/zinc/79/19/68/573791968.db2.gz PVDZKPFKKZTCRW-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN CC(=O)c1cccc(N(C)C#N)c1 259187948 573791971 /nfs/dbraw/zinc/79/19/71/573791971.db2.gz HYGOKMXFQVMSFU-UHFFFAOYSA-N 0 0 174.203 1.806 10 0 ADAERN CC(=O)c1c(C)cnc(C)c1O 238119631 573791973 /nfs/dbraw/zinc/79/19/73/573791973.db2.gz XPDBRGYZBUOLNJ-UHFFFAOYSA-N 0 0 165.192 1.607 10 0 ADAERN CCC[C@H](C)[C@@H](O)[C@H](C)CO 393589829 573793073 /nfs/dbraw/zinc/79/30/73/573793073.db2.gz XFGZFWSLZQSDBW-DJLDLDEBSA-N 0 0 160.257 1.412 10 0 ADAERN CCCc1nc(C(C)(C)O)[nH]c1C 258514868 573793239 /nfs/dbraw/zinc/79/32/39/573793239.db2.gz GMARYEAHDDPPHP-UHFFFAOYSA-N 0 0 182.267 1.898 10 0 ADAERN Cc1ccc(C)n1N[C@H](C)[C@H](C)O 87130708 573793299 /nfs/dbraw/zinc/79/32/99/573793299.db2.gz YKFWSOODJFQMBX-ZJUUUORDSA-N 0 0 182.267 1.418 10 0 ADAERN CN(CC1CCCC1)c1nnns1 258944726 573793300 /nfs/dbraw/zinc/79/33/00/573793300.db2.gz KDBNLUWYUNDGKC-UHFFFAOYSA-N 0 0 198.295 1.560 10 0 ADAERN CC(=O)OCC(=O)c1ccc(C)nc1 308441034 573793301 /nfs/dbraw/zinc/79/33/01/573793301.db2.gz IPGAQPSKLCDGJB-UHFFFAOYSA-N 0 0 193.202 1.136 10 0 ADAERN Cc1cccc([C@H]2C[C@@H]2C(N)=O)c1 238520069 573793250 /nfs/dbraw/zinc/79/32/50/573793250.db2.gz MTPNRYZWFJOZNX-ZJUUUORDSA-N 0 0 175.231 1.584 10 0 ADAERN C[C@@H]1CNc2cc(O)ccc2N(C)C1 259188212 573793256 /nfs/dbraw/zinc/79/32/56/573793256.db2.gz KBJBEEJIADXDJN-MRVPVSSYSA-N 0 0 192.262 1.890 10 0 ADAERN CC(C)(C)[C@@H]1C(=O)[C@H]2CC[C@@H]1O2 238104757 573793313 /nfs/dbraw/zinc/79/33/13/573793313.db2.gz CZLIBXCHDRMVQV-RNJXMRFFSA-N 0 0 168.236 1.779 10 0 ADAERN Cc1cc(C2C[NH2+]C2)ccc1C(=O)[O-] 238521076 573793259 /nfs/dbraw/zinc/79/32/59/573793259.db2.gz RPVYUXYBNFVUMO-UHFFFAOYSA-N 0 0 191.230 1.380 10 0 ADAERN CCO[C@H](C)C(=O)OC[C@H]1C[C@H]1C 308441412 573793261 /nfs/dbraw/zinc/79/32/61/573793261.db2.gz YYYUQDJBYWVNOR-IWSPIJDZSA-N 0 0 186.251 1.611 10 0 ADAERN Cc1ccc(C)n1N[C@@H](C)[C@H](C)O 87130707 573793264 /nfs/dbraw/zinc/79/32/64/573793264.db2.gz YKFWSOODJFQMBX-UWVGGRQHSA-N 0 0 182.267 1.418 10 0 ADAERN CCc1nc(C2(C(=O)[O-])CC2)[nH]c1C 258514908 573793272 /nfs/dbraw/zinc/79/32/72/573793272.db2.gz GNUPFLKKYVLHSW-UHFFFAOYSA-N 0 0 194.234 1.397 10 0 ADAERN CC(C)C(=O)C[C@H](C)[C@@H](C)O 87131718 573793341 /nfs/dbraw/zinc/79/33/41/573793341.db2.gz VMSMDVBUPCLIQM-JGVFFNPUSA-N 0 0 158.241 1.619 10 0 ADAERN CC(=O)O[C@H]1O[C@H](O)c2ccccc21 238103468 573793005 /nfs/dbraw/zinc/79/30/05/573793005.db2.gz ZJYUIJRMDXSCGB-UWVGGRQHSA-N 0 0 194.186 1.269 10 0 ADAERN Cc1ccc2c(CO)ccc(O)c2n1 238520389 573793008 /nfs/dbraw/zinc/79/30/08/573793008.db2.gz UCXHXYHBXCDBOK-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN CCCC[S@](=O)CCC(=O)OC 40959499 573793018 /nfs/dbraw/zinc/79/30/18/573793018.db2.gz GVCDSKLFHVKXBH-GFCCVEGCSA-N 0 0 192.280 1.098 10 0 ADAERN C/C=C\C(=O)N[C@H](CCO)C(C)(C)C 308440390 573793022 /nfs/dbraw/zinc/79/30/22/573793022.db2.gz FBNSMEIYMRJCBI-SSJHQANKSA-N 0 0 199.294 1.476 10 0 ADAERN C[C@@H]1Nc2ccc(O)cc2SC1=O 259187818 573793350 /nfs/dbraw/zinc/79/33/50/573793350.db2.gz JYOHPTFJZGUOGF-YFKPBYRVSA-N 0 0 195.243 1.825 10 0 ADAERN C[C@H]([NH2+]C/C=C\C(=O)[O-])C1CCCC1 308441000 573793028 /nfs/dbraw/zinc/79/30/28/573793028.db2.gz IMSGAQFNLZQMTH-WYDVEAGSSA-N 0 0 197.278 1.796 10 0 ADAERN CCCC[S@](=O)CC(=O)OCC 40959505 573793081 /nfs/dbraw/zinc/79/30/81/573793081.db2.gz UBJKDZKDJZLKJZ-GFCCVEGCSA-N 0 0 192.280 1.098 10 0 ADAERN Cc1c(C=O)ccc2c[nH]nc12 259569499 573793122 /nfs/dbraw/zinc/79/31/22/573793122.db2.gz WETOORLKOZFXKI-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN C=CO[C@@H]1CCCC[C@@H]1NC=O 238103676 573793135 /nfs/dbraw/zinc/79/31/35/573793135.db2.gz GGHKTUZXLAOUMD-DTWKUNHWSA-N 0 0 169.224 1.204 10 0 ADAERN O=C(c1cccs1)C1(CO)CC1 259188280 573793148 /nfs/dbraw/zinc/79/31/48/573793148.db2.gz NOTSNLICJNIEEF-UHFFFAOYSA-N 0 0 182.244 1.703 10 0 ADAERN Cc1cc(=N)c2ccc(O)cc2o1 238520939 573793165 /nfs/dbraw/zinc/79/31/65/573793165.db2.gz LEAWPELWWZBBAW-UHFFFAOYSA-N 0 0 175.187 1.926 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]1CCC[C@H]([NH3+])C1 238103178 573793181 /nfs/dbraw/zinc/79/31/81/573793181.db2.gz TYGDIXPEPJRULI-SFYZADRCSA-N 0 0 185.267 1.615 10 0 ADAERN CC/C=C\C(=O)OCc1ncon1 308442204 573793328 /nfs/dbraw/zinc/79/33/28/573793328.db2.gz ZIUJCHYLKYEHQC-ARJAWSKDSA-N 0 0 182.179 1.079 10 0 ADAERN CC(=O)[C@]1(O)CCCC[C@@H]1F 238104371 573793200 /nfs/dbraw/zinc/79/32/00/573793200.db2.gz FIGATCIXYJFURQ-JGVFFNPUSA-N 0 0 160.188 1.219 10 0 ADAERN CC[C@@H](OC)c1noc([C@@H](C)NC)n1 131114975 573793203 /nfs/dbraw/zinc/79/32/03/573793203.db2.gz QILKRLKUJJQCKE-RNFRBKRXSA-N 0 0 199.254 1.448 10 0 ADAERN CC(C)[N@@H+]1CCC[C@](C)(CC(=O)[O-])C1 259569203 573793235 /nfs/dbraw/zinc/79/32/35/573793235.db2.gz YLDVPSGJZMTIFN-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN CCCCC[C@@]1(C)NCC(=O)N1CC 308729593 573793246 /nfs/dbraw/zinc/79/32/46/573793246.db2.gz IQOKHBUBJROFIC-NSHDSACASA-N 0 0 198.310 1.735 10 0 ADAERN CC(C)(C(N)=O)c1cccc(O)c1 238104830 573793331 /nfs/dbraw/zinc/79/33/31/573793331.db2.gz ASGZLYHAKGPICS-UHFFFAOYSA-N 0 0 179.219 1.155 10 0 ADAERN CCn1nccc1[C@H](C)[C@H](C)O 87141866 573796340 /nfs/dbraw/zinc/79/63/40/573796340.db2.gz MTNSMDFVYNHJMB-SFYZADRCSA-N 0 0 168.240 1.387 10 0 ADAERN c1cc(-c2ncc[nH]2)c2n[nH]cc2c1 76188860 573796291 /nfs/dbraw/zinc/79/62/91/573796291.db2.gz AYSWVESGSLZXIF-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN CCO[C@H](C)C(=O)OC[C@H]1C[C@@H]1C 308441409 573796306 /nfs/dbraw/zinc/79/63/06/573796306.db2.gz YYYUQDJBYWVNOR-DJLDLDEBSA-N 0 0 186.251 1.611 10 0 ADAERN Clc1ncc2cnoc2n1 84229889 573796327 /nfs/dbraw/zinc/79/63/27/573796327.db2.gz URXVYHOUZIRCMR-UHFFFAOYSA-N 0 0 155.544 1.271 10 0 ADAERN Cc1c(C(N)=O)cc(CC(C)C)n1C 259191233 573796347 /nfs/dbraw/zinc/79/63/47/573796347.db2.gz MTTKVNYBEMVQKR-UHFFFAOYSA-N 0 0 194.278 1.631 10 0 ADAERN Cc1cc(SNN)ccc1F 259189195 573796352 /nfs/dbraw/zinc/79/63/52/573796352.db2.gz JDODXCQREIXQHB-UHFFFAOYSA-N 0 0 172.228 1.605 10 0 ADAERN CNc1ccc(O[C@H](C)[C@@H](C)O)cc1 87141250 573796445 /nfs/dbraw/zinc/79/64/45/573796445.db2.gz AYNLMADSIKMOFK-RKDXNWHRSA-N 0 0 195.262 1.876 10 0 ADAERN Cc1ncc2c(n1)NCSC2 238520798 573796455 /nfs/dbraw/zinc/79/64/55/573796455.db2.gz UWPUTUCVBCUEQI-UHFFFAOYSA-N 0 0 167.237 1.401 10 0 ADAERN CC[C@H](C)C[C@H](NN)c1cn[nH]c1 393590815 573798107 /nfs/dbraw/zinc/79/81/07/573798107.db2.gz OVAOAYZJOQSTNE-CBAPKCEASA-N 0 0 182.271 1.350 10 0 ADAERN C[C@@H](O)c1ccc2[nH]cnc2c1 76208276 573798108 /nfs/dbraw/zinc/79/81/08/573798108.db2.gz BXLZPOPEIBXLDT-ZCFIWIBFSA-N 0 0 162.192 1.616 10 0 ADAERN CC[C@H](C)C[C@@H](NN)c1cn[nH]c1 393590816 573796499 /nfs/dbraw/zinc/79/64/99/573796499.db2.gz OVAOAYZJOQSTNE-IONNQARKSA-N 0 0 182.271 1.350 10 0 ADAERN CC[NH+]1CCC(=C/C=C\C(=O)[O-])CC1 308442544 573796508 /nfs/dbraw/zinc/79/65/08/573796508.db2.gz DDHCHRWUKIRQMH-HYXAFXHYSA-N 0 0 195.262 1.669 10 0 ADAERN Cc1ccc(NCn2cncn2)nc1 238520631 573796741 /nfs/dbraw/zinc/79/67/41/573796741.db2.gz MVZKFSVPMBUTNV-UHFFFAOYSA-N 0 0 189.222 1.051 10 0 ADAERN NOC[C@@H]1Cc2c(Cl)cccc2N1 258128507 573798071 /nfs/dbraw/zinc/79/80/71/573798071.db2.gz JYPVYPMDJFCTNV-LURJTMIESA-N 0 0 198.653 1.567 10 0 ADAERN CCC(CC)[NH2+][C@@H](C(=O)[O-])C(C)C 43429707 573798081 /nfs/dbraw/zinc/79/80/81/573798081.db2.gz GVCULYDTFHCYEQ-SECBINFHSA-N 0 0 187.283 1.874 10 0 ADAERN Cc1cc2cc(CO)ccc2[nH]c1=O 259192768 573796280 /nfs/dbraw/zinc/79/62/80/573796280.db2.gz MIPMPSKMVCRSHY-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN CNc1ccc(O[C@@H](C)[C@H](C)O)cc1 87141254 573798092 /nfs/dbraw/zinc/79/80/92/573798092.db2.gz AYNLMADSIKMOFK-IUCAKERBSA-N 0 0 195.262 1.876 10 0 ADAERN CCCS[C@@H]1COCCN1 259189186 573796400 /nfs/dbraw/zinc/79/64/00/573796400.db2.gz JCZDMMVTVZMRAI-SSDOTTSWSA-N 0 0 161.270 1.076 10 0 ADAERN CCCOC[C@H](C)[C@@H](C)O 87142001 573796617 /nfs/dbraw/zinc/79/66/17/573796617.db2.gz RBBFVXLLXUNXMN-JGVFFNPUSA-N 0 0 146.230 1.430 10 0 ADAERN Cc1ccc2c(CO)nn(C)c2c1 238520462 573796622 /nfs/dbraw/zinc/79/66/22/573796622.db2.gz IHCUVJDQLSTAJS-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN Cc1cccc(CC[C@@H](C)NN)c1 127229083 573796624 /nfs/dbraw/zinc/79/66/24/573796624.db2.gz UVQBKNPXWWCCHZ-SNVBAGLBSA-N 0 0 178.279 1.779 10 0 ADAERN C[C@@H](O)CCc1ccc2c(c1)CCN2 257878268 573796634 /nfs/dbraw/zinc/79/66/34/573796634.db2.gz UZCXJALDHCXKSW-SECBINFHSA-N 0 0 191.274 1.968 10 0 ADAERN O=C([O-])/C=C\C[NH2+]C(C1CC1)C1CC1 308440516 573796656 /nfs/dbraw/zinc/79/66/56/573796656.db2.gz ZACQCWRLDCGPGQ-UPHRSURJSA-N 0 0 195.262 1.405 10 0 ADAERN Cc1coc([C@@H](N)c2ccncn2)c1 716186670 573796691 /nfs/dbraw/zinc/79/66/91/573796691.db2.gz ADXPBJMHBMYNTD-JTQLQIEISA-N 0 0 189.218 1.426 10 0 ADAERN Cc1ncc2c(n1)NC(=O)SC2 238520745 573796692 /nfs/dbraw/zinc/79/66/92/573796692.db2.gz LBMYPHRVHFQDMC-UHFFFAOYSA-N 0 0 181.220 1.564 10 0 ADAERN CC(C)CC(=O)[C@H]1O[C@@H]1C 238125506 573796708 /nfs/dbraw/zinc/79/67/08/573796708.db2.gz BIVGMEQLABAZOE-SVRRBLITSA-N 0 0 142.198 1.389 10 0 ADAERN C[C@@H]1C[C@]1(CO)c1ccc[nH]1 258951636 573796720 /nfs/dbraw/zinc/79/67/20/573796720.db2.gz FBTFRWXBQABZFA-VXNVDRBHSA-N 0 0 151.209 1.285 10 0 ADAERN CC(C)[C@@H]([NH2+][C@H](C)C1(C)CC1)C(=O)[O-] 43430458 573796732 /nfs/dbraw/zinc/79/67/32/573796732.db2.gz AEXWQKHHNSUBJS-RKDXNWHRSA-N 0 0 199.294 1.874 10 0 ADAERN Cc1nc(C[C@@H](C)O)c(C)s1 84286234 573796754 /nfs/dbraw/zinc/79/67/54/573796754.db2.gz YIJZJPPUZVCXDP-RXMQYKEDSA-N 0 0 171.265 1.683 10 0 ADAERN COCCc1nnc2ccc(C)cn12 258130436 573796767 /nfs/dbraw/zinc/79/67/67/573796767.db2.gz ZRGZXOJSABVLNI-UHFFFAOYSA-N 0 0 191.234 1.227 10 0 ADAERN CCN[C@H](C(=O)OC)C1(CC)CCC1 686133050 573796770 /nfs/dbraw/zinc/79/67/70/573796770.db2.gz QZSMDQAEKAJMJJ-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN C/C(=C\C[NH2+][C@H]1CC=CCC1)C(=O)[O-] 308442729 573796774 /nfs/dbraw/zinc/79/67/74/573796774.db2.gz KQWVBUFVWKPGGK-PCYYEKQGSA-N 0 0 195.262 1.716 10 0 ADAERN C[Si](C)(C)C1=C(CO)C1 238520593 573796778 /nfs/dbraw/zinc/79/67/78/573796778.db2.gz RCQXHYDPWXIFSG-UHFFFAOYSA-N 0 0 142.274 1.556 10 0 ADAERN Cc1cccc([C@H]2C[C@H]2C(N)=O)c1 238520164 573796784 /nfs/dbraw/zinc/79/67/84/573796784.db2.gz MTPNRYZWFJOZNX-NXEZZACHSA-N 0 0 175.231 1.584 10 0 ADAERN CC(C)(CO)c1ccccc1C=O 238125781 573796808 /nfs/dbraw/zinc/79/68/08/573796808.db2.gz CLHQJHFZAUMPDS-UHFFFAOYSA-N 0 0 178.231 1.769 10 0 ADAERN C[S@](=O)CCOc1cccc(N)c1 40972079 573796839 /nfs/dbraw/zinc/79/68/39/573796839.db2.gz CCPHBPUFQVCWPR-CYBMUJFWSA-N 0 0 199.275 1.026 10 0 ADAERN CC(C)=CC(=O)NC[C@@H]1CCC[C@@H]1O 84225686 573796848 /nfs/dbraw/zinc/79/68/48/573796848.db2.gz BYTMETVWFMZLPV-UWVGGRQHSA-N 0 0 197.278 1.230 10 0 ADAERN CCCOC(=O)c1cccnc1N 308440777 573796850 /nfs/dbraw/zinc/79/68/50/573796850.db2.gz YUVBRLPQKVEQPT-UHFFFAOYSA-N 0 0 180.207 1.231 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1cccc(N)c1 87141203 573796858 /nfs/dbraw/zinc/79/68/58/573796858.db2.gz GHNWZKCAZXCYFP-JGVFFNPUSA-N 0 0 181.235 1.417 10 0 ADAERN CC(C)CC(=O)[C@H]1O[C@H]1C 238125533 573796874 /nfs/dbraw/zinc/79/68/74/573796874.db2.gz BIVGMEQLABAZOE-XPUUQOCRSA-N 0 0 142.198 1.389 10 0 ADAERN Cc1cc(C(F)F)[nH]c(=O)c1O 238520511 573796880 /nfs/dbraw/zinc/79/68/80/573796880.db2.gz JLTANXSMRXDQGK-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN O=C1CCC(Oc2cccnc2)CC1 259621176 573796892 /nfs/dbraw/zinc/79/68/92/573796892.db2.gz QVRCWKCDKYTAIZ-UHFFFAOYSA-N 0 0 191.230 1.972 10 0 ADAERN Cc1ccc(NC=O)c(N)c1C 238520172 573796909 /nfs/dbraw/zinc/79/69/09/573796909.db2.gz BBGCFDXFADBWDO-UHFFFAOYSA-N 0 0 164.208 1.454 10 0 ADAERN CNC(=O)Nc1ccc(N)cc1F 125119238 573796926 /nfs/dbraw/zinc/79/69/26/573796926.db2.gz MDHOKIJYEIBSNT-UHFFFAOYSA-N 0 0 183.186 1.159 10 0 ADAERN Oc1cccc2c1SCCN2 259191109 573796930 /nfs/dbraw/zinc/79/69/30/573796930.db2.gz KDEVLJYYHSKFRF-UHFFFAOYSA-N 0 0 167.233 1.910 10 0 ADAERN COc1ccc(CCC(N)=O)c(C)c1 78206933 573796942 /nfs/dbraw/zinc/79/69/42/573796942.db2.gz GYSCARAKUDAHHT-UHFFFAOYSA-N 0 0 193.246 1.422 10 0 ADAERN CCCC[C@H](C)NO 79316424 573798123 /nfs/dbraw/zinc/79/81/23/573798123.db2.gz WQUFNDFVLMDJKA-LURJTMIESA-N 0 0 117.192 1.544 10 0 ADAERN CC(=O)[C@]12CCCC[C@@H]1CCO2 238105772 573798125 /nfs/dbraw/zinc/79/81/25/573798125.db2.gz KFDZXVSZFKXZBA-NXEZZACHSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@]12CCO[C@@H]1CCCC2=O 238520888 573796945 /nfs/dbraw/zinc/79/69/45/573796945.db2.gz PHMFARIMTOHAMN-RKDXNWHRSA-N 0 0 154.209 1.535 10 0 ADAERN C[C@@H]1C[C@@]1(CO)C1CCOCC1 258951729 573796953 /nfs/dbraw/zinc/79/69/53/573796953.db2.gz FEAJRWKGDWHNPX-SCZZXKLOSA-N 0 0 170.252 1.432 10 0 ADAERN CC(=O)C[C@H](O)[C@H]1CCC=CO1 238126733 573796955 /nfs/dbraw/zinc/79/69/55/573796955.db2.gz LIORBEJDSNYXHS-DTWKUNHWSA-N 0 0 170.208 1.019 10 0 ADAERN Cc1cc([C@H]2CCC(=O)C2)cnc1N 238521408 573796962 /nfs/dbraw/zinc/79/69/62/573796962.db2.gz SGBAWIWYTRUXNG-QMMMGPOBSA-N 0 0 190.246 1.809 10 0 ADAERN Cc1cc2ncccc2c(N)c1N 238520572 573797014 /nfs/dbraw/zinc/79/70/14/573797014.db2.gz HRHIIUBFWJZUBN-UHFFFAOYSA-N 0 0 173.219 1.708 10 0 ADAERN CCc1coc(CCCO)n1 259189035 573797016 /nfs/dbraw/zinc/79/70/16/573797016.db2.gz IRYUQSHPMDTORK-UHFFFAOYSA-N 0 0 155.197 1.162 10 0 ADAERN CC[C@@H](C)C[C@H](NN)c1cn[nH]c1 393590814 573797024 /nfs/dbraw/zinc/79/70/24/573797024.db2.gz OVAOAYZJOQSTNE-APPZFPTMSA-N 0 0 182.271 1.350 10 0 ADAERN CCN[C@@H](C(=O)OC)C1(CC)CCC1 686133053 573797039 /nfs/dbraw/zinc/79/70/39/573797039.db2.gz QZSMDQAEKAJMJJ-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN Cc1ncc2c(c1O)C(=O)CC2 238520118 573797081 /nfs/dbraw/zinc/79/70/81/573797081.db2.gz QRURMIKXBQLRBX-UHFFFAOYSA-N 0 0 163.176 1.225 10 0 ADAERN C[C@H](O[C@H](C)C(F)(F)F)[C@@H](C)O 131232065 573797112 /nfs/dbraw/zinc/79/71/12/573797112.db2.gz RUTOXMBTVHBDRF-NGJCXOISSA-N 0 0 186.173 1.723 10 0 ADAERN Cc1cc(C(F)F)ncc1CO 238521343 573797115 /nfs/dbraw/zinc/79/71/15/573797115.db2.gz NBCMURYSJGJRBT-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN CN1CCc2c1cccc2C(C)(C)O 257878312 573797121 /nfs/dbraw/zinc/79/71/21/573797121.db2.gz JKOKPMQGPRKEBK-UHFFFAOYSA-N 0 0 191.274 1.906 10 0 ADAERN OCC[C@H]1CCC[C@@H](CO)C1 221911596 573797128 /nfs/dbraw/zinc/79/71/28/573797128.db2.gz JAIGOOOVECVZIN-RKDXNWHRSA-N 0 0 158.241 1.168 10 0 ADAERN C[C@@H]1C[C@]1(CO)C1CCOCC1 258951727 573797140 /nfs/dbraw/zinc/79/71/40/573797140.db2.gz FEAJRWKGDWHNPX-PSASIEDQSA-N 0 0 170.252 1.432 10 0 ADAERN CC(=O)c1c[nH]nc1[C@@H]1CCCCO1 257878374 573797147 /nfs/dbraw/zinc/79/71/47/573797147.db2.gz VAFYCQLOCYXKQN-VIFPVBQESA-N 0 0 194.234 1.854 10 0 ADAERN CC(C)CCCN(C)C(=O)[C@H](C)O 258954235 573797159 /nfs/dbraw/zinc/79/71/59/573797159.db2.gz ZQBLZQNAMVVVBH-VIFPVBQESA-N 0 0 187.283 1.262 10 0 ADAERN O[C@H]1C=CC=CCCC1 33842207 573797161 /nfs/dbraw/zinc/79/71/61/573797161.db2.gz VBGJRBHZUBRYJR-QMMMGPOBSA-N 0 0 124.183 1.644 10 0 ADAERN CC(C)(c1ccccc1)[C@H](O)CO 238105632 573797182 /nfs/dbraw/zinc/79/71/82/573797182.db2.gz CHGZOAHEDXBMDL-SNVBAGLBSA-N 0 0 180.247 1.317 10 0 ADAERN CCN(C(=O)NC)c1ccccc1N 125120184 573797184 /nfs/dbraw/zinc/79/71/84/573797184.db2.gz PVQFYUUVURXOGJ-UHFFFAOYSA-N 0 0 193.250 1.435 10 0 ADAERN C[C@H]1Cc2c(C=O)cccc2N1C 258128962 573797190 /nfs/dbraw/zinc/79/71/90/573797190.db2.gz PPWFIXMCJYYOHI-QMMMGPOBSA-N 0 0 175.231 1.880 10 0 ADAERN Cc1cc(O)cc(-c2cnoc2N)c1 258131274 573797209 /nfs/dbraw/zinc/79/72/09/573797209.db2.gz RNGQHOKHENAXGG-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C[C@H](Oc1cccc(N)c1)[C@@H](C)O 87141211 573797259 /nfs/dbraw/zinc/79/72/59/573797259.db2.gz GHNWZKCAZXCYFP-SFYZADRCSA-N 0 0 181.235 1.417 10 0 ADAERN CC(C)C[C@@H]([NH2+][C@@H](C)C1CC1)C(=O)[O-] 43432048 573797261 /nfs/dbraw/zinc/79/72/61/573797261.db2.gz JUNSQTCJFNNMTN-WCBMZHEXSA-N 0 0 199.294 1.874 10 0 ADAERN C/C=C\c1nnc([C@@H]2CCCCN2)o1 308441795 573797265 /nfs/dbraw/zinc/79/72/65/573797265.db2.gz JRYXSIJQFUQBEQ-YAPUSRSVSA-N 0 0 193.250 1.917 10 0 ADAERN CCn1nccc1[C@@H](C)[C@@H](C)O 87141858 573797266 /nfs/dbraw/zinc/79/72/66/573797266.db2.gz MTNSMDFVYNHJMB-JGVFFNPUSA-N 0 0 168.240 1.387 10 0 ADAERN CN(CCO)c1cc(F)ccc1F 258951092 573797267 /nfs/dbraw/zinc/79/72/67/573797267.db2.gz IRFYIXUYFLVKMO-UHFFFAOYSA-N 0 0 187.189 1.393 10 0 ADAERN C[C@]12CCO[C@H]1CCCC2=O 238521021 573797272 /nfs/dbraw/zinc/79/72/72/573797272.db2.gz PHMFARIMTOHAMN-DTWKUNHWSA-N 0 0 154.209 1.535 10 0 ADAERN COC(=O)C=CN[C@H]1CCCC1(C)C 308440493 573797280 /nfs/dbraw/zinc/79/72/80/573797280.db2.gz YWMRMTVBBOWFDC-XZLDQRQTSA-N 0 0 197.278 1.841 10 0 ADAERN CC(C)=CC(=O)NC[C@@H]1CCC[C@H]1O 84225691 573797287 /nfs/dbraw/zinc/79/72/87/573797287.db2.gz BYTMETVWFMZLPV-VHSXEESVSA-N 0 0 197.278 1.230 10 0 ADAERN CC(C)=C1Cc2c1cc[nH]c2=O 238124761 573797296 /nfs/dbraw/zinc/79/72/96/573797296.db2.gz XJFFLQUVCRWJEF-UHFFFAOYSA-N 0 0 161.204 1.724 10 0 ADAERN CC(C)(CO)c1ccc(CO)c(O)c1 258131238 573797299 /nfs/dbraw/zinc/79/72/99/573797299.db2.gz RMTNEWKRDWHHGS-UHFFFAOYSA-N 0 0 196.246 1.154 10 0 ADAERN O=C1CC[C@H](c2ccc(Cl)nc2)N1 238520265 573797300 /nfs/dbraw/zinc/79/73/00/573797300.db2.gz IHVPVYBFMGZDAP-SSDOTTSWSA-N 0 0 196.637 1.686 10 0 ADAERN CC(C)CC(=O)c1ncsc1N 238126272 573797304 /nfs/dbraw/zinc/79/73/04/573797304.db2.gz NHFAQXVTHWHXBX-UHFFFAOYSA-N 0 0 184.264 1.954 10 0 ADAERN CSc1c(O)cccc1C(=O)CN 258128802 573797325 /nfs/dbraw/zinc/79/73/25/573797325.db2.gz RIGUFBZZKASOGC-UHFFFAOYSA-N 0 0 197.259 1.256 10 0 ADAERN CC[C@H](NN)[C@](C)(CC)OC 125122573 573797360 /nfs/dbraw/zinc/79/73/60/573797360.db2.gz OHNXQPOPPVZUJW-YUMQZZPRSA-N 0 0 160.261 1.043 10 0 ADAERN CCCCCCNC(=O)[C@@H](O)CC 308441952 573797409 /nfs/dbraw/zinc/79/74/09/573797409.db2.gz ZDRFMQMKNFGAIW-VIFPVBQESA-N 0 0 187.283 1.454 10 0 ADAERN CO[C@H](C)Cc1ccc(CNO)cc1 258131003 573798151 /nfs/dbraw/zinc/79/81/51/573798151.db2.gz RLHVQCKDNMBMEV-SECBINFHSA-N 0 0 195.262 1.743 10 0 ADAERN CN(CCO)c1c[nH]c2ccccc12 258948267 573797450 /nfs/dbraw/zinc/79/74/50/573797450.db2.gz IMDAKONNWCCUCA-UHFFFAOYSA-N 0 0 190.246 1.596 10 0 ADAERN Cn1cnc(OC2CCCC2)c1 238520162 573797452 /nfs/dbraw/zinc/79/74/52/573797452.db2.gz AMSWGAQTLRWKTN-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN CC(=O)Nc1nnc(Cl)cc1C 238104973 573797454 /nfs/dbraw/zinc/79/74/54/573797454.db2.gz GLADTMQAGMTKLA-UHFFFAOYSA-N 0 0 185.614 1.397 10 0 ADAERN CCc1ccc(NC(=O)NC)cc1N 125116730 573797459 /nfs/dbraw/zinc/79/74/59/573797459.db2.gz KCVJHFYZJAANMN-UHFFFAOYSA-N 0 0 193.250 1.583 10 0 ADAERN CC(=O)SCC(=O)C(C)(C)C 238125839 573797461 /nfs/dbraw/zinc/79/74/61/573797461.db2.gz LIPJPUOPIBYOQE-UHFFFAOYSA-N 0 0 174.265 1.881 10 0 ADAERN C[C@H](O)[C@H](C)Sc1cnn(C)c1 87140004 573797466 /nfs/dbraw/zinc/79/74/66/573797466.db2.gz CMNISXUFHLNRSJ-BQBZGAKWSA-N 0 0 186.280 1.282 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+][C@H](C)CC1CC1 308443305 573798155 /nfs/dbraw/zinc/79/81/55/573798155.db2.gz LDNRRTMHDKHGPD-BZJXQOFCSA-N 0 0 197.278 1.796 10 0 ADAERN [NH3+][C@H]1CCOc2ccsc21 84227445 573797470 /nfs/dbraw/zinc/79/74/70/573797470.db2.gz NHIOZDVPKAJIBP-YFKPBYRVSA-N 0 0 155.222 1.530 10 0 ADAERN CC(=O)SC(C)(C)C(C)=O 238125413 573797487 /nfs/dbraw/zinc/79/74/87/573797487.db2.gz DKXYUJXSJMKCNJ-UHFFFAOYSA-N 0 0 160.238 1.634 10 0 ADAERN CC1(C)Nc2ccc(O)cc2OC1=O 259191532 573797493 /nfs/dbraw/zinc/79/74/93/573797493.db2.gz KENZKCHBNFHNPO-UHFFFAOYSA-N 0 0 193.202 1.502 10 0 ADAERN CC/C=C/C(=O)OCc1ncon1 308442205 573797511 /nfs/dbraw/zinc/79/75/11/573797511.db2.gz ZIUJCHYLKYEHQC-ONEGZZNKSA-N 0 0 182.179 1.079 10 0 ADAERN CC[C@H](O)[C@H](C)[C@@H](C)[C@@H](C)O 87141406 573797519 /nfs/dbraw/zinc/79/75/19/573797519.db2.gz NQOGAWRQEONZOH-BGZDPUMWSA-N 0 0 160.257 1.410 10 0 ADAERN CCOC(=O)NC[C@@H](O)[C@@H](C)CC 308442504 573797524 /nfs/dbraw/zinc/79/75/24/573797524.db2.gz ZKPKRHQVYWFXJN-JGVFFNPUSA-N 0 0 189.255 1.140 10 0 ADAERN CC(=O)Nc1noc(C(C)(C)C)n1 238105590 573797528 /nfs/dbraw/zinc/79/75/28/573797528.db2.gz IKDHQQJCBHZRCF-UHFFFAOYSA-N 0 0 183.211 1.326 10 0 ADAERN Cc1csc([C@@H]2CN(C)CCN2)n1 76187818 573797531 /nfs/dbraw/zinc/79/75/31/573797531.db2.gz DTBVPWACFZWFIB-QMMMGPOBSA-N 0 0 197.307 1.028 10 0 ADAERN CC(=O)C[C@H](O)[C@@H]1CCC=CO1 238126438 573797539 /nfs/dbraw/zinc/79/75/39/573797539.db2.gz LIORBEJDSNYXHS-IUCAKERBSA-N 0 0 170.208 1.019 10 0 ADAERN C[NH2+][C@@H](C)C1CCC(C(=O)[O-])CC1 259188627 573797557 /nfs/dbraw/zinc/79/75/57/573797557.db2.gz DYCXCKJJQIPJND-UEJVZZJDSA-N 0 0 185.267 1.485 10 0 ADAERN Cc1[nH]c(=O)ccc1C(=O)CC(C)C 238125971 573797588 /nfs/dbraw/zinc/79/75/88/573797588.db2.gz PUCHCONLURKVJR-UHFFFAOYSA-N 0 0 193.246 1.912 10 0 ADAERN C[C@H](O)[C@H](C)Sc1ccncn1 87140218 573797603 /nfs/dbraw/zinc/79/76/03/573797603.db2.gz MZLNPDXUIWMOIR-BQBZGAKWSA-N 0 0 184.264 1.338 10 0 ADAERN CN(C#N)c1ccc(C(C)(C)C)nn1 259189157 573797626 /nfs/dbraw/zinc/79/76/26/573797626.db2.gz HMRXYAKKAGZTSU-UHFFFAOYSA-N 0 0 190.250 1.691 10 0 ADAERN COc1cc(C)c(O)cc1CCCO 258130906 573797636 /nfs/dbraw/zinc/79/76/36/573797636.db2.gz RKKCMMXKKLITBA-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN O=Cc1cc([C@H]2CCCSC2)n[nH]1 258427057 573797646 /nfs/dbraw/zinc/79/76/46/573797646.db2.gz FJDJDVVVZXNBFA-ZETCQYMHSA-N 0 0 196.275 1.833 10 0 ADAERN OC1(c2cccc3cnncc23)CC1 258131104 573797652 /nfs/dbraw/zinc/79/76/52/573797652.db2.gz RLULZILIHFKXBR-UHFFFAOYSA-N 0 0 186.214 1.611 10 0 ADAERN Cc1ccc2c(c1CCON)OCO2 258128895 573797661 /nfs/dbraw/zinc/79/76/61/573797661.db2.gz RJSXZRRMIOODII-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN OCCc1c(F)cc2cc[nH]c2c1F 258128816 573797691 /nfs/dbraw/zinc/79/76/91/573797691.db2.gz RIMJUYSWKFIWRP-UHFFFAOYSA-N 0 0 197.184 1.981 10 0 ADAERN CC[C@](C)(CO)CNc1ncccn1 308748630 573797696 /nfs/dbraw/zinc/79/76/96/573797696.db2.gz SQNYPBQDKSCFQL-JTQLQIEISA-N 0 0 195.266 1.297 10 0 ADAERN O=Cc1cc2ccc(O)cc2[nH]c1=O 108584259 573797699 /nfs/dbraw/zinc/79/76/99/573797699.db2.gz RDPMQDXXPTYWBQ-UHFFFAOYSA-N 0 0 189.170 1.046 10 0 ADAERN Oc1ccc2c(c1)NCC1(CC1)CO2 258427227 573797702 /nfs/dbraw/zinc/79/77/02/573797702.db2.gz FLXRZTWZHXTDQT-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN CC(=O)CC[C@H]1CCCO[C@@H]1O 238105315 573797703 /nfs/dbraw/zinc/79/77/03/573797703.db2.gz IBSRYYKHHVBHPT-BDAKNGLRSA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)C=CNC[C@H](C)C1CC1 234572953 573797709 /nfs/dbraw/zinc/79/77/09/573797709.db2.gz BWEQEPLQTPMDGF-GJIOHYHPSA-N 0 0 183.251 1.309 10 0 ADAERN CC(C)CCCN(C)C(=O)[C@@H](C)O 258954231 573797710 /nfs/dbraw/zinc/79/77/10/573797710.db2.gz ZQBLZQNAMVVVBH-SECBINFHSA-N 0 0 187.283 1.262 10 0 ADAERN NOC[C@H]1Cc2c(Cl)cccc2N1 258128509 573797711 /nfs/dbraw/zinc/79/77/11/573797711.db2.gz JYPVYPMDJFCTNV-ZCFIWIBFSA-N 0 0 198.653 1.567 10 0 ADAERN CC(C)(C)C(=O)NC(F)(F)F 238124771 573797722 /nfs/dbraw/zinc/79/77/22/573797722.db2.gz CYQCXSOKZJECBY-UHFFFAOYSA-N 0 0 169.146 1.669 10 0 ADAERN Cc1nc(CO)sc1C[NH2+]C1CC1 127225788 573797724 /nfs/dbraw/zinc/79/77/24/573797724.db2.gz AGNVZFHTRJANKB-UHFFFAOYSA-N 0 0 198.291 1.196 10 0 ADAERN CC(C)C[C@H]([NH2+][C@@H](C)C1CC1)C(=O)[O-] 43432047 573797750 /nfs/dbraw/zinc/79/77/50/573797750.db2.gz JUNSQTCJFNNMTN-WPRPVWTQSA-N 0 0 199.294 1.874 10 0 ADAERN O=Cc1noc2ncc(Cl)cc12 84229837 573797759 /nfs/dbraw/zinc/79/77/59/573797759.db2.gz WQNCFPMVYHNDJZ-UHFFFAOYSA-N 0 0 182.566 1.689 10 0 ADAERN CNc1ccc(O[C@@H](C)[C@@H](C)O)cc1 87141256 573797770 /nfs/dbraw/zinc/79/77/70/573797770.db2.gz AYNLMADSIKMOFK-BDAKNGLRSA-N 0 0 195.262 1.876 10 0 ADAERN CC(C)(O)c1ccc2nccnc2c1 258131096 573797780 /nfs/dbraw/zinc/79/77/80/573797780.db2.gz RLTNGYAVYHDEKK-UHFFFAOYSA-N 0 0 188.230 1.857 10 0 ADAERN Cc1cc(=O)[nH]c2cc(O)cc(O)c12 143476664 573797793 /nfs/dbraw/zinc/79/77/93/573797793.db2.gz BGLWRSOOOOVPJJ-UHFFFAOYSA-N 0 0 191.186 1.248 10 0 ADAERN Cc1nsc2ncc(C=O)cc12 84229713 573797829 /nfs/dbraw/zinc/79/78/29/573797829.db2.gz XZYDIQMMFBRKFX-UHFFFAOYSA-N 0 0 178.216 1.812 10 0 ADAERN COc1cnccc1C[C@H](C)O 259192678 573797830 /nfs/dbraw/zinc/79/78/30/573797830.db2.gz ISMOEECCRLGJPJ-ZETCQYMHSA-N 0 0 167.208 1.014 10 0 ADAERN CN(CO)c1ccc2ncoc2c1 258949870 573797843 /nfs/dbraw/zinc/79/78/43/573797843.db2.gz RIQMXKDHXHQCPR-UHFFFAOYSA-N 0 0 178.191 1.214 10 0 ADAERN C[C@@H]1C[C@@]1(CO)c1ccc[nH]1 258951630 573797857 /nfs/dbraw/zinc/79/78/57/573797857.db2.gz FBTFRWXBQABZFA-APPZFPTMSA-N 0 0 151.209 1.285 10 0 ADAERN C=Cc1ccc(C[NH3+])nc1C 209742545 573800783 /nfs/dbraw/zinc/80/07/83/573800783.db2.gz QXLWPSLCHRQGHC-UHFFFAOYSA-N 0 0 148.209 1.492 10 0 ADAERN CC(=O)SC(=S)c1ccc[nH]1 238125367 573797888 /nfs/dbraw/zinc/79/78/88/573797888.db2.gz UGCFBAZONSLJSS-UHFFFAOYSA-N 0 0 185.273 1.970 10 0 ADAERN CCC[C@H]1CN(C#N)C(=O)N1C 259191003 573797909 /nfs/dbraw/zinc/79/79/09/573797909.db2.gz ARWAONISDXSAJI-ZETCQYMHSA-N 0 0 167.212 1.004 10 0 ADAERN C[C@@H]1Cc2c(C=O)cccc2N1C 258128959 573797926 /nfs/dbraw/zinc/79/79/26/573797926.db2.gz PPWFIXMCJYYOHI-MRVPVSSYSA-N 0 0 175.231 1.880 10 0 ADAERN Cc1ccc(Nc2cc(=O)c2=O)cc1 100335900 573798061 /nfs/dbraw/zinc/79/80/61/573798061.db2.gz PSCALTOXANKZQF-UHFFFAOYSA-N 0 0 187.198 1.335 10 0 ADAERN C[C@H](O)[C@@H]1Cc2c(O)cccc2N1C 258131338 573797942 /nfs/dbraw/zinc/79/79/42/573797942.db2.gz KFCPSABEPYJVMW-XVKPBYJWSA-N 0 0 193.246 1.134 10 0 ADAERN CC[NH2+]Cc1sc(CO)nc1C 127224906 573797952 /nfs/dbraw/zinc/79/79/52/573797952.db2.gz UIRLZBVFJYSGKW-UHFFFAOYSA-N 0 0 186.280 1.053 10 0 ADAERN Cc1ccc(N(C)C(C)(C)CO)o1 258954174 573797957 /nfs/dbraw/zinc/79/79/57/573797957.db2.gz XEEXTXQDYIPKQM-UHFFFAOYSA-N 0 0 183.251 1.795 10 0 ADAERN Cc1nc(CCc2cccnc2)c[nH]1 238514370 573797966 /nfs/dbraw/zinc/79/79/66/573797966.db2.gz AEPYRKZAQCLNKJ-UHFFFAOYSA-N 0 0 187.246 1.898 10 0 ADAERN Cc1nc(CCc2ccncc2)c[nH]1 238514437 573798003 /nfs/dbraw/zinc/79/80/03/573798003.db2.gz KTBCUWHURMPYQU-UHFFFAOYSA-N 0 0 187.246 1.898 10 0 ADAERN C[C@H]1C[C@]1(CO)C1CCOCC1 258951732 573798018 /nfs/dbraw/zinc/79/80/18/573798018.db2.gz FEAJRWKGDWHNPX-WCBMZHEXSA-N 0 0 170.252 1.432 10 0 ADAERN Cc1cccc([C@H]2CCC(=O)N2)c1N 238515133 573798022 /nfs/dbraw/zinc/79/80/22/573798022.db2.gz BDJQRXKRJHVWOP-SECBINFHSA-N 0 0 190.246 1.528 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1ccncn1 87140211 573798023 /nfs/dbraw/zinc/79/80/23/573798023.db2.gz MZLNPDXUIWMOIR-NKWVEPMBSA-N 0 0 184.264 1.338 10 0 ADAERN C[C@H](O)Cc1ccns1 84286278 573798024 /nfs/dbraw/zinc/79/80/24/573798024.db2.gz KHKYINBKSOMLPM-YFKPBYRVSA-N 0 0 143.211 1.066 10 0 ADAERN Nc1cccc2c1NCC1(CC1)CO2 258427203 573798033 /nfs/dbraw/zinc/79/80/33/573798033.db2.gz FLJFSKNLQSVMFQ-UHFFFAOYSA-N 0 0 190.246 1.853 10 0 ADAERN CC(=O)Nc1nncc2ccccc12 238105216 573798043 /nfs/dbraw/zinc/79/80/43/573798043.db2.gz JHNPMUMBESDUHH-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN C[C@@H]1C(=O)[C@@H]2CCC=C[C@@H]12 238514685 573798046 /nfs/dbraw/zinc/79/80/46/573798046.db2.gz BXTCOZIQDQFQAX-BIIVOSGPSA-N 0 0 136.194 1.788 10 0 ADAERN Cc1cc2c[nH]nc2c(Cl)n1 238514318 573798664 /nfs/dbraw/zinc/79/86/64/573798664.db2.gz AHFNJZLZLNQULS-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN CC(C)[C@@H]([NH2+][C@@H](C)C1(C)CC1)C(=O)[O-] 43430456 573798170 /nfs/dbraw/zinc/79/81/70/573798170.db2.gz AEXWQKHHNSUBJS-DTWKUNHWSA-N 0 0 199.294 1.874 10 0 ADAERN C[C@@H](O)Cc1ccns1 84286279 573798176 /nfs/dbraw/zinc/79/81/76/573798176.db2.gz KHKYINBKSOMLPM-RXMQYKEDSA-N 0 0 143.211 1.066 10 0 ADAERN Cc1cnc(C=O)c(N)c1C(F)F 238514449 573798185 /nfs/dbraw/zinc/79/81/85/573798185.db2.gz UTKJVVJFKMEISU-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC(=O)C(F)(F)[C@H]1CCSC1 257878750 573798201 /nfs/dbraw/zinc/79/82/01/573798201.db2.gz LORBHWMPLUHKSM-LURJTMIESA-N 0 0 180.219 1.964 10 0 ADAERN C[C@H]1C[C@]1(CO)c1ccc[nH]1 258951634 573798213 /nfs/dbraw/zinc/79/82/13/573798213.db2.gz FBTFRWXBQABZFA-IONNQARKSA-N 0 0 151.209 1.285 10 0 ADAERN Cc1ccc(NC(CO)CO)cc1C 258950086 573798222 /nfs/dbraw/zinc/79/82/22/573798222.db2.gz LLPOZIAWQFRXPD-UHFFFAOYSA-N 0 0 195.262 1.069 10 0 ADAERN C[C@@H]1Cc2cc(CCCO)ccc2O1 258128854 573798234 /nfs/dbraw/zinc/79/82/34/573798234.db2.gz RJIAVQAWLKWOTR-SECBINFHSA-N 0 0 192.258 1.935 10 0 ADAERN C[C@H]1C[C@@]1(CO)C1CCOCC1 258951734 573798247 /nfs/dbraw/zinc/79/82/47/573798247.db2.gz FEAJRWKGDWHNPX-WPRPVWTQSA-N 0 0 170.252 1.432 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2[C@@H](C)C(=O)C[C@@H]12 238515257 573798265 /nfs/dbraw/zinc/79/82/65/573798265.db2.gz MNHAKBHLFJWUCV-KVFPUHGPSA-N 0 0 166.220 1.437 10 0 ADAERN COc1noc2ccc(N)cc12 84229412 573798269 /nfs/dbraw/zinc/79/82/69/573798269.db2.gz VPDMTEHAEFEQMK-UHFFFAOYSA-N 0 0 164.164 1.419 10 0 ADAERN COC(=O)CC[C@H](C)CC=O 238350250 573798270 /nfs/dbraw/zinc/79/82/70/573798270.db2.gz HHTFJPKOCAUPAT-XPPMVYLVSA-N 0 0 158.197 1.647 10 0 ADAERN Cc1nc2c(C=O)cccc2n1C 76209940 573798280 /nfs/dbraw/zinc/79/82/80/573798280.db2.gz MIQTWPYTOQDJPX-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN Cc1cc(C(F)F)nc(C=O)c1O 238514970 573798287 /nfs/dbraw/zinc/79/82/87/573798287.db2.gz KSUJQCGRVZTELL-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CC(=O)CCCNc1ccc[nH]1 258952016 573798315 /nfs/dbraw/zinc/79/83/15/573798315.db2.gz RRUJCWLWPITRNW-UHFFFAOYSA-N 0 0 166.224 1.796 10 0 ADAERN CC(C)CC(=O)[C@@H]1O[C@H]1C 238124874 573798341 /nfs/dbraw/zinc/79/83/41/573798341.db2.gz BIVGMEQLABAZOE-POYBYMJQSA-N 0 0 142.198 1.389 10 0 ADAERN CCCCn1c(C2CC2)noc1=O 308438582 573798381 /nfs/dbraw/zinc/79/83/81/573798381.db2.gz XWUAEVWAVPESDK-UHFFFAOYSA-N 0 0 182.223 1.514 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2C=CC[C@H]21 238515464 573798355 /nfs/dbraw/zinc/79/83/55/573798355.db2.gz OXVQJHNNXWUWGX-FXQIFTODSA-N 0 0 136.194 1.788 10 0 ADAERN CC(C)C[C@H]([NH2+][C@H](C)C1CC1)C(=O)[O-] 43432050 573798357 /nfs/dbraw/zinc/79/83/57/573798357.db2.gz JUNSQTCJFNNMTN-SCZZXKLOSA-N 0 0 199.294 1.874 10 0 ADAERN Cc1cc2c[nH]nc2c(O)c1C 238514349 573798363 /nfs/dbraw/zinc/79/83/63/573798363.db2.gz NZYDTLQNLJGSMS-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN CC(C)=CC(=O)NC[C@H]1CCC[C@@H]1O 84225688 573798405 /nfs/dbraw/zinc/79/84/05/573798405.db2.gz BYTMETVWFMZLPV-ZJUUUORDSA-N 0 0 197.278 1.230 10 0 ADAERN Cc1c(N)c(N)nc2ccccc12 238515460 573798409 /nfs/dbraw/zinc/79/84/09/573798409.db2.gz BOHHFNYUPUSLGO-UHFFFAOYSA-N 0 0 173.219 1.708 10 0 ADAERN OCCc1ccc2c(c1)SCO2 258128595 573798411 /nfs/dbraw/zinc/79/84/11/573798411.db2.gz REROZVKPMMZFQD-UHFFFAOYSA-N 0 0 182.244 1.663 10 0 ADAERN Cc1cc(CON)cc2c1OCCO2 258128866 573798415 /nfs/dbraw/zinc/79/84/15/573798415.db2.gz RJNATDISHVIQJY-UHFFFAOYSA-N 0 0 195.218 1.157 10 0 ADAERN C[NH2+][C@H](C[C@H](C)C(=O)[O-])C(C)(C)C 259188593 573798441 /nfs/dbraw/zinc/79/84/41/573798441.db2.gz DXIVGNWVGVZKHP-JGVFFNPUSA-N 0 0 187.283 1.731 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1cnn(C)c1 87139996 573798443 /nfs/dbraw/zinc/79/84/43/573798443.db2.gz CMNISXUFHLNRSJ-NKWVEPMBSA-N 0 0 186.280 1.282 10 0 ADAERN CCc1nc(CNC(CC)CC)no1 308746506 573798447 /nfs/dbraw/zinc/79/84/47/573798447.db2.gz RLCILYFKXAQBEV-UHFFFAOYSA-N 0 0 197.282 1.910 10 0 ADAERN C[C@H](O)Cc1cc(N(C)C)ccc1O 258131065 573798484 /nfs/dbraw/zinc/79/84/84/573798484.db2.gz RLNLHGAFJYAMOY-QMMMGPOBSA-N 0 0 195.262 1.382 10 0 ADAERN Cc1nc(C[C@H](C)O)c(C)s1 84286235 573798457 /nfs/dbraw/zinc/79/84/57/573798457.db2.gz YIJZJPPUZVCXDP-YFKPBYRVSA-N 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CMNISXUFHLNRSJ-RQJHMYQMSA-N 0 0 186.280 1.282 10 0 ADAERN NC(=O)c1csc(-c2ccc[nH]2)n1 259190705 573798591 /nfs/dbraw/zinc/79/85/91/573798591.db2.gz GUKPLRPRYGKDIS-UHFFFAOYSA-N 0 0 193.231 1.237 10 0 ADAERN CC(=O)CNc1ccc2c(c1)CCO2 258950024 573798594 /nfs/dbraw/zinc/79/85/94/573798594.db2.gz RLFYASQWMWVVLP-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN C[C@@H](O)Cc1cc(N(C)C)ccc1O 258131057 573798604 /nfs/dbraw/zinc/79/86/04/573798604.db2.gz RLNLHGAFJYAMOY-MRVPVSSYSA-N 0 0 195.262 1.382 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1cnn(C)c1 87140000 573798613 /nfs/dbraw/zinc/79/86/13/573798613.db2.gz CMNISXUFHLNRSJ-RNFRBKRXSA-N 0 0 186.280 1.282 10 0 ADAERN CCCn1ncc(N)c1F 259192695 573798656 /nfs/dbraw/zinc/79/86/56/573798656.db2.gz ISPKWWYLNKZPSW-UHFFFAOYSA-N 0 0 143.165 1.014 10 0 ADAERN Cc1ccc(N(C)C)c(C(=O)CN)c1 258131403 573798712 /nfs/dbraw/zinc/79/87/12/573798712.db2.gz RNYNPYUWCJLGHP-UHFFFAOYSA-N 0 0 192.262 1.202 10 0 ADAERN Cc1cccc([C@H](O)[C@@H]2CO2)c1 238514603 573798685 /nfs/dbraw/zinc/79/86/85/573798685.db2.gz DLENEVRGPWYKBB-UWVGGRQHSA-N 0 0 164.204 1.427 10 0 ADAERN C[C@H](O)[C@@H](C)O[C@H](C)C(F)(F)F 131232310 573798690 /nfs/dbraw/zinc/79/86/90/573798690.db2.gz RUTOXMBTVHBDRF-KVQBGUIXSA-N 0 0 186.173 1.723 10 0 ADAERN CC[C@@H](C)[C@@H](CO)Nc1ncccn1 308747735 573798702 /nfs/dbraw/zinc/79/87/02/573798702.db2.gz SIOAZJMHQXYBJK-RKDXNWHRSA-N 0 0 195.266 1.296 10 0 ADAERN C[C@H](O)[C@H](C)O[C@H](C)C(F)(F)F 131232530 573798703 /nfs/dbraw/zinc/79/87/03/573798703.db2.gz RUTOXMBTVHBDRF-HCWXCVPCSA-N 0 0 186.173 1.723 10 0 ADAERN COCCCN1CCC(C)(C)C(=O)C1 259190032 573798726 /nfs/dbraw/zinc/79/87/26/573798726.db2.gz IDPLGQLKQDUWBT-UHFFFAOYSA-N 0 0 199.294 1.324 10 0 ADAERN CC(C)(CO)c1ccc(CO)cc1 238125567 573798734 /nfs/dbraw/zinc/79/87/34/573798734.db2.gz CTFNVARBRZQYNG-UHFFFAOYSA-N 0 0 180.247 1.449 10 0 ADAERN CONCc1oc(C(C)C)nc1C 308442902 573798768 /nfs/dbraw/zinc/79/87/68/573798768.db2.gz ZQMASKYSEHZWRA-UHFFFAOYSA-N 0 0 184.239 1.757 10 0 ADAERN CC(C)=CC(=O)NC[C@H]1CCC[C@H]1O 84225694 573798777 /nfs/dbraw/zinc/79/87/77/573798777.db2.gz BYTMETVWFMZLPV-NXEZZACHSA-N 0 0 197.278 1.230 10 0 ADAERN CC(=O)Cc1c(C)ccc2c1OCO2 258128778 573798815 /nfs/dbraw/zinc/79/88/15/573798815.db2.gz RHUCUEPHFVKMOV-UHFFFAOYSA-N 0 0 192.214 1.855 10 0 ADAERN CC(=O)[C@]12CC=CC[C@H]1CCC2=O 238105229 573798816 /nfs/dbraw/zinc/79/88/16/573798816.db2.gz IHENBURXLXBDSG-GXSJLCMTSA-N 0 0 178.231 1.891 10 0 ADAERN CC(=O)[C@]12CCCCC[C@@H]1O2 238105549 573799605 /nfs/dbraw/zinc/79/96/05/573799605.db2.gz ZHUARIPULATLFQ-DTWKUNHWSA-N 0 0 154.209 1.677 10 0 ADAERN CC(=O)C[C@H](O)c1cc(C)ccc1O 238126920 573799617 /nfs/dbraw/zinc/79/96/17/573799617.db2.gz SHMNYERWKDAGRM-NSHDSACASA-N 0 0 194.230 1.713 10 0 ADAERN C[C@@H](O)C[C@@H]1CCSC1 84288333 573799627 /nfs/dbraw/zinc/79/96/27/573799627.db2.gz IARSWNNAQNPLAX-RQJHMYQMSA-N 0 0 146.255 1.510 10 0 ADAERN C/C=C/C=C\C(=O)NCc1cc[nH]c1 308438819 573800568 /nfs/dbraw/zinc/80/05/68/573800568.db2.gz AGZIQCLCFRJPAD-IAROGAJJSA-N 0 0 190.246 1.763 10 0 ADAERN Cc1cc([C@@H](O)C(F)(F)F)ncn1 238514110 573800462 /nfs/dbraw/zinc/80/04/62/573800462.db2.gz FWKWRIVOUQIABX-ZCFIWIBFSA-N 0 0 192.140 1.381 10 0 ADAERN CC(=O)C[C@H](O)[C@@H]1CC=CCC1 238126705 573800569 /nfs/dbraw/zinc/80/05/69/573800569.db2.gz MBYFSDUBFQWNGS-ZJUUUORDSA-N 0 0 168.236 1.683 10 0 ADAERN CC(=O)C[C@H](O)c1cc(F)ccc1O 238126974 573800755 /nfs/dbraw/zinc/80/07/55/573800755.db2.gz NROHLWHJPXVUIB-JTQLQIEISA-N 0 0 198.193 1.544 10 0 ADAERN CC(C)C1(CO)CCC1 87155558 573800764 /nfs/dbraw/zinc/80/07/64/573800764.db2.gz AEURWFNHWVWEER-UHFFFAOYSA-N 0 0 128.215 1.805 10 0 ADAERN CC[C@@H](C)N(C)c1cccnc1N 122693582 573800488 /nfs/dbraw/zinc/80/04/88/573800488.db2.gz CHVLAJHYAKSOIL-MRVPVSSYSA-N 0 0 179.267 1.899 10 0 ADAERN CN1COc2ccc(O)cc2C1 143481663 573800500 /nfs/dbraw/zinc/80/05/00/573800500.db2.gz ZRFMUABZRXUNGJ-UHFFFAOYSA-N 0 0 165.192 1.174 10 0 ADAERN Cc1coc([C@@H](N)c2nccn2C)c1 716190667 573800511 /nfs/dbraw/zinc/80/05/11/573800511.db2.gz SGJPWJWCVZRVIL-SECBINFHSA-N 0 0 191.234 1.370 10 0 ADAERN C[C@@H](O)c1ccc2ncn(C)c2c1 76208540 573800519 /nfs/dbraw/zinc/80/05/19/573800519.db2.gz ZWTZSKAZLKCCQL-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN Cc1ccc2c(c1)NC1(CC1)C(=O)N2 87151302 573800522 /nfs/dbraw/zinc/80/05/22/573800522.db2.gz UWNVJNZFPMAWQV-UHFFFAOYSA-N 0 0 188.230 1.892 10 0 ADAERN Cn1cccc1-c1ccnc(N)n1 238514544 573800526 /nfs/dbraw/zinc/80/05/26/573800526.db2.gz YTULZRSGRIGQSQ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCN1COc2ccc(O)cc2C1 143481909 573800528 /nfs/dbraw/zinc/80/05/28/573800528.db2.gz KBFPVDFOCCTWCF-UHFFFAOYSA-N 0 0 179.219 1.564 10 0 ADAERN CC(C)CC(=O)[C@H]1CCC(=O)C1 238125259 573800538 /nfs/dbraw/zinc/80/05/38/573800538.db2.gz OUXGAEJGIIXARB-QMMMGPOBSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1nc(C=O)c(C=O)s1 238514121 573800587 /nfs/dbraw/zinc/80/05/87/573800587.db2.gz NXGFMWIOKNINPL-UHFFFAOYSA-N 0 0 155.178 1.077 10 0 ADAERN C[S@](=O)CCOc1ccccc1N 40972093 573800599 /nfs/dbraw/zinc/80/05/99/573800599.db2.gz WAGHVEKVFIFSNF-CYBMUJFWSA-N 0 0 199.275 1.026 10 0 ADAERN CCC[C@H](O)/C=C/C=C\C(=O)OCC 308438861 573800601 /nfs/dbraw/zinc/80/06/01/573800601.db2.gz AMMBVDHZVVWUTL-SYNQYVAXSA-N 0 0 198.262 1.823 10 0 ADAERN CC(=O)C[C@H](O)c1ccoc1 238127139 573800603 /nfs/dbraw/zinc/80/06/03/573800603.db2.gz RVOMKJXAQGKJKZ-QMMMGPOBSA-N 0 0 154.165 1.292 10 0 ADAERN C[C@H]1Cc2cc(CCCO)ccc2O1 258128858 573800615 /nfs/dbraw/zinc/80/06/15/573800615.db2.gz RJIAVQAWLKWOTR-VIFPVBQESA-N 0 0 192.258 1.935 10 0 ADAERN Cc1ccc(N)c(N(C)C[C@H](C)O)c1 87150079 573800619 /nfs/dbraw/zinc/80/06/19/573800619.db2.gz ICQQSCZVPVJHRC-VIFPVBQESA-N 0 0 194.278 1.394 10 0 ADAERN CC(=O)Nc1nncc2ccsc12 238105252 573800644 /nfs/dbraw/zinc/80/06/44/573800644.db2.gz MNKASCQAQPRXGM-UHFFFAOYSA-N 0 0 193.231 1.650 10 0 ADAERN CC(=O)C(F)(F)[C@@H]1CCSC1 257878756 573800674 /nfs/dbraw/zinc/80/06/74/573800674.db2.gz LORBHWMPLUHKSM-ZCFIWIBFSA-N 0 0 180.219 1.964 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2c(O)cccc2N1C 258131333 573800687 /nfs/dbraw/zinc/80/06/87/573800687.db2.gz KFCPSABEPYJVMW-XCBNKYQSSA-N 0 0 193.246 1.134 10 0 ADAERN OCCc1cccc(-c2ncco2)c1 258128809 573800723 /nfs/dbraw/zinc/80/07/23/573800723.db2.gz RIJAACIPTDCXJZ-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN CC(C)SC1=NC=CS1(=O)=O 257878726 573800741 /nfs/dbraw/zinc/80/07/41/573800741.db2.gz JTCPZMSNIMZOEK-UHFFFAOYSA-N 0 0 191.277 1.384 10 0 ADAERN Cc1c(C(F)F)ncc(C=O)c1N 238514391 573800701 /nfs/dbraw/zinc/80/07/01/573800701.db2.gz GVKJALMLMCRYQH-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC(C)C[C@H](NN)c1cnns1 127242161 573801990 /nfs/dbraw/zinc/80/19/90/573801990.db2.gz NDTDOJMBDKWADX-LURJTMIESA-N 0 0 186.284 1.089 10 0 ADAERN O[C@@H]1CCC[C@@H]1CNc1nncs1 84233610 573801944 /nfs/dbraw/zinc/80/19/44/573801944.db2.gz KDMNVOZWQYBHAD-RNFRBKRXSA-N 0 0 199.279 1.111 10 0 ADAERN c1c[nH]c(Nc2nnns2)c1 258953171 573801950 /nfs/dbraw/zinc/80/19/50/573801950.db2.gz KOHYQSGVEQUTGF-UHFFFAOYSA-N 0 0 167.197 1.005 10 0 ADAERN COC1(OC)CCCC[C@@H]1F 38258410 573801960 /nfs/dbraw/zinc/80/19/60/573801960.db2.gz CTRZZHUMDNBANC-ZETCQYMHSA-N 0 0 162.204 1.888 10 0 ADAERN COCc1ccccc1NCCCO 43444256 573802030 /nfs/dbraw/zinc/80/20/30/573802030.db2.gz KCILJADEZFULCV-UHFFFAOYSA-N 0 0 195.262 1.627 10 0 ADAERN Cc1nc(C=O)c(O)cc1C(F)F 238514426 573802015 /nfs/dbraw/zinc/80/20/15/573802015.db2.gz NASBQPJMRQLPEK-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN C/C=C(\CCO)c1cccc(CO)c1 308438866 573801607 /nfs/dbraw/zinc/80/16/07/573801607.db2.gz APDQFSCYTOJMKH-BIIKFXOESA-N 0 0 192.258 1.965 10 0 ADAERN Cc1ccc(N)c(N[C@@H](C)CO)c1 87149657 573801608 /nfs/dbraw/zinc/80/16/08/573801608.db2.gz NJXYPPDYWNHQOK-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(N)nc1C(F)F 238514927 573801624 /nfs/dbraw/zinc/80/16/24/573801624.db2.gz XWJPRVMVUSJTSM-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN Cc1ncccc1O[C@H]1CCC[C@H]1O 87154757 573801632 /nfs/dbraw/zinc/80/16/32/573801632.db2.gz VEEBOEKBYQVGDQ-KOLCDFICSA-N 0 0 193.246 1.682 10 0 ADAERN CCn1nc(CCO)c2ccccc21 84242959 573801633 /nfs/dbraw/zinc/80/16/33/573801633.db2.gz MSJXYJZXTYYNGR-UHFFFAOYSA-N 0 0 190.246 1.591 10 0 ADAERN CCn1nc(CNN)c2ccccc21 84242796 573801688 /nfs/dbraw/zinc/80/16/88/573801688.db2.gz PMGTVZMENYMSDF-UHFFFAOYSA-N 0 0 190.250 1.020 10 0 ADAERN Cc1ncccc1O[C@@H]1CCC[C@@H]1O 87154752 573801689 /nfs/dbraw/zinc/80/16/89/573801689.db2.gz VEEBOEKBYQVGDQ-GXSJLCMTSA-N 0 0 193.246 1.682 10 0 ADAERN CCc1ccc([C@H](NN)N(C)C)cc1 259193196 573801697 /nfs/dbraw/zinc/80/16/97/573801697.db2.gz NZSLGPYLHNSQHI-LLVKDONJSA-N 0 0 193.294 1.273 10 0 ADAERN Cc1cc([C@H]2CCC(=O)N2)[nH]c1C 238521442 573801787 /nfs/dbraw/zinc/80/17/87/573801787.db2.gz SEORZRLBAACXMI-MRVPVSSYSA-N 0 0 178.235 1.583 10 0 ADAERN COCc1cccc(NCCCO)c1 43444255 573801806 /nfs/dbraw/zinc/80/18/06/573801806.db2.gz HGYHVBFGAYUYRC-UHFFFAOYSA-N 0 0 195.262 1.627 10 0 ADAERN Cc1c(N)c(N)cc2nsnc12 238515305 573801808 /nfs/dbraw/zinc/80/18/08/573801808.db2.gz ZPDMNQLXWMYYCV-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN O=Cc1cc(CC(F)(F)F)no1 238513957 573801819 /nfs/dbraw/zinc/80/18/19/573801819.db2.gz YHFJRKRLYCGXEG-UHFFFAOYSA-N 0 0 179.097 1.592 10 0 ADAERN Cc1c[nH]c(C=O)c(C(F)F)c1=O 238514085 573801847 /nfs/dbraw/zinc/80/18/47/573801847.db2.gz NNWIJFBQPRRVFZ-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN Cc1cc2c[nH]nc2c(C=O)n1 238514266 573801859 /nfs/dbraw/zinc/80/18/59/573801859.db2.gz RDXJQTJKZGPRKK-UHFFFAOYSA-N 0 0 161.164 1.079 10 0 ADAERN Cc1ncccc1OC[C@@H](C)O 87154737 573801883 /nfs/dbraw/zinc/80/18/83/573801883.db2.gz NVIBBRWRDKYMFX-SSDOTTSWSA-N 0 0 167.208 1.150 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nc(N)ns1 125139065 573801893 /nfs/dbraw/zinc/80/18/93/573801893.db2.gz JBRUYJWYUSJZQC-UHNVWZDZSA-N 0 0 185.252 1.218 10 0 ADAERN CN(C)c1cccc2[nH+]cn(C)c12 76208411 573801924 /nfs/dbraw/zinc/80/19/24/573801924.db2.gz KOCUPQYGQYBEML-UHFFFAOYSA-N 0 0 175.235 1.639 10 0 ADAERN Cc1c(C(F)F)cnc(CO)c1N 238514722 573801928 /nfs/dbraw/zinc/80/19/28/573801928.db2.gz VFLIBKVXZARYSK-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN C=COc1cccnc1C 87153875 573801929 /nfs/dbraw/zinc/80/19/29/573801929.db2.gz JCFXMZNZQIXQIP-UHFFFAOYSA-N 0 0 135.166 1.912 10 0 ADAERN Cc1nc(C=O)c(N)cc1C(F)F 238514393 573801934 /nfs/dbraw/zinc/80/19/34/573801934.db2.gz PGEBIJCTHBDXDE-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C=Cc1cc(C[NH3+])cnc1C 209742158 573802887 /nfs/dbraw/zinc/80/28/87/573802887.db2.gz GEOUBHBMKCTCEN-UHFFFAOYSA-N 0 0 148.209 1.492 10 0 ADAERN C[C@@]12C=C[C@@H](CCC1)C2=O 238516789 573805471 /nfs/dbraw/zinc/80/54/71/573805471.db2.gz WYTYPFWNGMSORS-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@]1(CO)CN(C2CCCC2)C(=O)O1 258132644 573802888 /nfs/dbraw/zinc/80/28/88/573802888.db2.gz WUYVSHVTEPKWFS-SNVBAGLBSA-N 0 0 199.250 1.132 10 0 ADAERN Cc1c(C(F)F)ncc(O)c1N 238515880 573805387 /nfs/dbraw/zinc/80/53/87/573805387.db2.gz HRZBNQHATHNMKK-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC[N@@H+]1CCC=C([C@@H](C)C(=O)[O-])C1 258133167 573805372 /nfs/dbraw/zinc/80/53/72/573805372.db2.gz PZDUNLLKKRLFIO-MRVPVSSYSA-N 0 0 183.251 1.359 10 0 ADAERN COC(=O)CC/C=C/CC[C@H](C)O 238353962 573805396 /nfs/dbraw/zinc/80/53/96/573805396.db2.gz QBLAFFSYMXVKNG-NWALNABHSA-N 0 0 186.251 1.657 10 0 ADAERN CC/C=C/C(=O)NC[C@@H](C)CCO 308443512 573805786 /nfs/dbraw/zinc/80/57/86/573805786.db2.gz AEDBWEXRLDKWKN-MOVJSRMASA-N 0 0 185.267 1.087 10 0 ADAERN Cc1ccc(/C=C/[C@H](O)CO)cc1 238529231 573808583 /nfs/dbraw/zinc/80/85/83/573808583.db2.gz GIVZZEHIDJCPQH-MLRMMBSGSA-N 0 0 178.231 1.361 10 0 ADAERN C[C@H]1C[C@@H](C)N(C(=O)C(C)(C)O)C1 235650063 573805457 /nfs/dbraw/zinc/80/54/57/573805457.db2.gz LSTGSFVMILDNOM-JGVFFNPUSA-N 0 0 185.267 1.014 10 0 ADAERN OCCCc1cc(O)c2c(c1)OCO2 258133703 573805461 /nfs/dbraw/zinc/80/54/61/573805461.db2.gz RSEIOSOEFBGMHZ-UHFFFAOYSA-N 0 0 196.202 1.046 10 0 ADAERN C/C=C/COC(=O)[C@@H](CC)N(C)C 308439726 573805464 /nfs/dbraw/zinc/80/54/64/573805464.db2.gz YLQRPWCLWGDSPU-VPIOIWJLSA-N 0 0 185.267 1.446 10 0 ADAERN CCCc1nnc2cccc(OC)n12 258132908 573805468 /nfs/dbraw/zinc/80/54/68/573805468.db2.gz ZWBMTKKAQHPJEH-UHFFFAOYSA-N 0 0 191.234 1.690 10 0 ADAERN C[C@@H](O)Cc1ccc(N(C)C)c(F)c1 258133714 573805475 /nfs/dbraw/zinc/80/54/75/573805475.db2.gz RSRFVWIJBDEJIN-MRVPVSSYSA-N 0 0 197.253 1.815 10 0 ADAERN CC(C)(C)c1cc2ncc(O)cn2n1 258131855 573805479 /nfs/dbraw/zinc/80/54/79/573805479.db2.gz GKMUQTFMAMENRS-UHFFFAOYSA-N 0 0 191.234 1.732 10 0 ADAERN NCc1nnc([C@H]2CCCSC2)o1 258134160 573805496 /nfs/dbraw/zinc/80/54/96/573805496.db2.gz QMTLRFNHUYTJNM-LURJTMIESA-N 0 0 199.279 1.139 10 0 ADAERN Cn1ccc([C@H]2CCC(=O)C2)c1 238516671 573805502 /nfs/dbraw/zinc/80/55/02/573805502.db2.gz IQXINXGOXGOYMT-QMMMGPOBSA-N 0 0 163.220 1.862 10 0 ADAERN Cn1ccc([C@@H]2CCC(=O)C2)c1 238515987 573805515 /nfs/dbraw/zinc/80/55/15/573805515.db2.gz IQXINXGOXGOYMT-MRVPVSSYSA-N 0 0 163.220 1.862 10 0 ADAERN COc1nc2c(CON)cccc2o1 258131538 573805516 /nfs/dbraw/zinc/80/55/16/573805516.db2.gz RPAMRKVXCWFWDL-UHFFFAOYSA-N 0 0 194.190 1.227 10 0 ADAERN OCCCCOc1cccc(O)c1 43444470 573805519 /nfs/dbraw/zinc/80/55/19/573805519.db2.gz SDRBVLIXQVSKAI-UHFFFAOYSA-N 0 0 182.219 1.544 10 0 ADAERN COCc1ccc(N)c(C)c1 258134790 573805760 /nfs/dbraw/zinc/80/57/60/573805760.db2.gz OCOCSASCUUFPFF-UHFFFAOYSA-N 0 0 151.209 1.724 10 0 ADAERN Nc1c2[nH]c(Cl)cnc-2ccc1=O 259570727 573805761 /nfs/dbraw/zinc/80/57/61/573805761.db2.gz XSDLZUKDDIABBR-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN NCC(=O)c1c(F)ccc2occc12 258133786 573805540 /nfs/dbraw/zinc/80/55/40/573805540.db2.gz RUAZCZUPTGXRDQ-UHFFFAOYSA-N 0 0 193.177 1.713 10 0 ADAERN C[C@H]1CC([C@H]2CCCOC2)N=NC1=N 84240105 573805561 /nfs/dbraw/zinc/80/55/61/573805561.db2.gz ZFRTYICROXDCKV-YUMQZZPRSA-N 0 0 195.266 1.166 10 0 ADAERN COCN(C)CCc1cccc(F)c1 258957227 573805563 /nfs/dbraw/zinc/80/55/63/573805563.db2.gz AIBXPNCLSHKFIH-UHFFFAOYSA-N 0 0 197.253 1.904 10 0 ADAERN Cc1nn(C)c2nc(F)ccc12 238516282 573805565 /nfs/dbraw/zinc/80/55/65/573805565.db2.gz ROWWZCOFKWYCKY-UHFFFAOYSA-N 0 0 165.171 1.416 10 0 ADAERN CC(C)(C)S[C@H]1OC(=O)C[C@H]1[NH3+] 238127494 573805569 /nfs/dbraw/zinc/80/55/69/573805569.db2.gz GLXBQLAYHBFFSM-IYSWYEEDSA-N 0 0 189.280 1.118 10 0 ADAERN CC/C=C\COC(=O)[C@@H](C)COC 308443526 573805570 /nfs/dbraw/zinc/80/55/70/573805570.db2.gz AFFJJBBZHGGMOL-UDIARPCQSA-N 0 0 186.251 1.778 10 0 ADAERN CC(=O)Cc1ncc2cccc(N)n12 258134857 573805599 /nfs/dbraw/zinc/80/55/99/573805599.db2.gz GMQZHLKAPKVIJC-UHFFFAOYSA-N 0 0 189.218 1.048 10 0 ADAERN OCc1ccc(F)c(CC2(O)CC2)c1 258133752 573805617 /nfs/dbraw/zinc/80/56/17/573805617.db2.gz RTLNEMQPWJWNKK-UHFFFAOYSA-N 0 0 196.221 1.385 10 0 ADAERN COCC(=O)OC[C@@H](C)CC(C)C 308443501 573805629 /nfs/dbraw/zinc/80/56/29/573805629.db2.gz ADDKMXRKPZWJDM-VIFPVBQESA-N 0 0 188.267 1.858 10 0 ADAERN Cc1c(C(F)F)c[nH]c(=O)c1N 238515931 573805636 /nfs/dbraw/zinc/80/56/36/573805636.db2.gz VDWCGPKCDBJOQN-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C/C=C/COC(=O)[C@H](CC)N(C)C 308439723 573805638 /nfs/dbraw/zinc/80/56/38/573805638.db2.gz YLQRPWCLWGDSPU-IWGCBNPKSA-N 0 0 185.267 1.446 10 0 ADAERN C1CC(CNc2nnns2)C1 259193061 573805639 /nfs/dbraw/zinc/80/56/39/573805639.db2.gz WPHVLKUUPGMRMA-UHFFFAOYSA-N 0 0 170.241 1.145 10 0 ADAERN Cc1cccc2nc(=O)[nH]c-2c1 238528100 573805649 /nfs/dbraw/zinc/80/56/49/573805649.db2.gz FOPYPDOBOJFJFS-UHFFFAOYSA-N 0 0 160.176 1.183 10 0 ADAERN COc1cccc2c1[C@H](CCO)CO2 258133151 573805650 /nfs/dbraw/zinc/80/56/50/573805650.db2.gz PYYILIUYZXNXCG-MRVPVSSYSA-N 0 0 194.230 1.554 10 0 ADAERN CC(=O)[C@H](O)Cc1ccccc1 100469657 573805652 /nfs/dbraw/zinc/80/56/52/573805652.db2.gz QBCUUJGHWFKMDC-SNVBAGLBSA-N 0 0 164.204 1.179 10 0 endogenous,in-man ADAERN COCCOC[C@H](CO)C(C)(C)C 393563927 573805659 /nfs/dbraw/zinc/80/56/59/573805659.db2.gz FZVFQJGWWVMHQI-VIFPVBQESA-N 0 0 190.283 1.304 10 0 ADAERN Cc1ccc2c(c1C(C)(C)O)OCO2 258133770 573805697 /nfs/dbraw/zinc/80/56/97/573805697.db2.gz RTVHOYGCKBZUBH-UHFFFAOYSA-N 0 0 194.230 1.951 10 0 ADAERN Cc1nc(CO)ccc1C(F)F 238528353 573805713 /nfs/dbraw/zinc/80/57/13/573805713.db2.gz CLYAJQCYUDVRBX-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN O=C([O-])C/C=C\C[C@H]1CCCC[NH2+]1 258136424 573808587 /nfs/dbraw/zinc/80/85/87/573808587.db2.gz JJCPVHMXKCXFHS-IYABHPQVSA-N 0 0 183.251 1.550 10 0 ADAERN Cc1nc(CO)n2nc(Cl)ccc12 238528491 573808594 /nfs/dbraw/zinc/80/85/94/573808594.db2.gz AWKXWSGAVCYTND-UHFFFAOYSA-N 0 0 197.625 1.183 10 0 ADAERN CCc1c(CCO)ccc2c1OCO2 258138445 573808611 /nfs/dbraw/zinc/80/86/11/573808611.db2.gz SCJCXNNWKXBAEU-UHFFFAOYSA-N 0 0 194.230 1.513 10 0 ADAERN Cc1cc(F)cc2c1OCO2 238529900 573808616 /nfs/dbraw/zinc/80/86/16/573808616.db2.gz ZHEDCJJUIKWCEP-UHFFFAOYSA-N 0 0 154.140 1.863 10 0 ADAERN CC(=O)c1c(-c2ccco2)noc1N 238122745 573809076 /nfs/dbraw/zinc/80/90/76/573809076.db2.gz NIUKFYYERPUJBC-UHFFFAOYSA-N 0 0 192.174 1.719 10 0 ADAERN Cc1c(C(F)F)cnc(N)c1C=O 238529908 573809082 /nfs/dbraw/zinc/80/90/82/573809082.db2.gz DRBGIHCJHGDWKZ-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1c(C(F)F)ccnc1N 238529662 573809097 /nfs/dbraw/zinc/80/90/97/573809097.db2.gz CFTKARRODMNJEI-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN COc1c(O)ccc(C)c1CCCO 258138480 573809114 /nfs/dbraw/zinc/80/91/14/573809114.db2.gz SCYKHAJSDDRMOF-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN Cc1nc([C@H](O)c2ccccc2)no1 238530079 573809137 /nfs/dbraw/zinc/80/91/37/573809137.db2.gz RLDQAMLMQDRAPE-SECBINFHSA-N 0 0 190.202 1.460 10 0 ADAERN CCO[C@H](c1noc(CN)n1)C1CC1 131265000 573809138 /nfs/dbraw/zinc/80/91/38/573809138.db2.gz PSWJLGQBFONVFV-QMMMGPOBSA-N 0 0 197.238 1.016 10 0 ADAERN COC(=O)[C@@H](CO)c1cccc(F)c1 258138389 573809156 /nfs/dbraw/zinc/80/91/56/573809156.db2.gz MFWHSXGWEWXBMK-VIFPVBQESA-N 0 0 198.193 1.075 10 0 ADAERN CCO[C@@H]1C[C@@H]1[C@H](C=C(C)C)NN 689892963 573812596 /nfs/dbraw/zinc/81/25/96/573812596.db2.gz YLJVRVPYVNOFAJ-KXUCPTDWSA-N 0 0 184.283 1.210 10 0 ADAERN CONCc1cc(F)c(C)cc1C=O 258140811 573812606 /nfs/dbraw/zinc/81/26/06/573812606.db2.gz SIOAGXSKRJCOPH-UHFFFAOYSA-N 0 0 197.209 1.598 10 0 ADAERN Cc1nc([C@@H]2CNC(=O)C2)ccc1F 238529107 573809143 /nfs/dbraw/zinc/80/91/43/573809143.db2.gz VXUVPYMQFBFHSN-ZETCQYMHSA-N 0 0 194.209 1.133 10 0 ADAERN CC(C)CC[C@@H](C)N1C(=O)CN[C@@H]1C 127289070 573809145 /nfs/dbraw/zinc/80/91/45/573809145.db2.gz WYWAIHBZHKMIAU-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN CN(C)c1ccc(F)cc1CON 258138724 573809146 /nfs/dbraw/zinc/80/91/46/573809146.db2.gz SHNGJTCZOPCGSP-UHFFFAOYSA-N 0 0 184.214 1.282 10 0 ADAERN Cc1ccc(=O)c(C)c(C)c1 238529589 573809180 /nfs/dbraw/zinc/80/91/80/573809180.db2.gz CNGHALPRFVSJBX-UHFFFAOYSA-N 0 0 148.205 1.972 10 0 ADAERN CCC(C)(C)NCC(=O)OC(C)C 43446085 573809182 /nfs/dbraw/zinc/80/91/82/573809182.db2.gz MYAOEADPNVWSIJ-UHFFFAOYSA-N 0 0 187.283 1.716 10 0 ADAERN CC(C)n1[n-]c2c(c1=O)C[N@H+](C)CC2 257879259 573809184 /nfs/dbraw/zinc/80/91/84/573809184.db2.gz VBTHEAPGEOTBML-UHFFFAOYSA-N 0 0 195.266 1.158 10 0 ADAERN CC(C)(O)c1cc(F)c2c(c1)OCO2 258136192 573809201 /nfs/dbraw/zinc/80/92/01/573809201.db2.gz RYVPPRXKXFKCQW-UHFFFAOYSA-N 0 0 198.193 1.782 10 0 ADAERN C[C@@H]1C[C@]1(CO)c1cc[nH]c1 258955847 573809204 /nfs/dbraw/zinc/80/92/04/573809204.db2.gz FVLSDGGMAYTMIR-VXNVDRBHSA-N 0 0 151.209 1.285 10 0 ADAERN C[C@H](O)c1cnc([C@@H]2CCCCN2)o1 257879760 573808415 /nfs/dbraw/zinc/80/84/15/573808415.db2.gz AFRLBTINTAIDPG-YUMQZZPRSA-N 0 0 196.250 1.543 10 0 ADAERN CCC(CC)[C@]1(O)CCOC1 87158508 573808419 /nfs/dbraw/zinc/80/84/19/573808419.db2.gz TYBQQRHWZHTOTO-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)(O)c1cc(O)c(F)cc1O 258138522 573808428 /nfs/dbraw/zinc/80/84/28/573808428.db2.gz SDPFOCFDHCXDJX-UHFFFAOYSA-N 0 0 186.182 1.464 10 0 ADAERN CCCC(=O)NC[C@H]1C[C@H]1C1CC1 393591100 573808437 /nfs/dbraw/zinc/80/84/37/573808437.db2.gz PCTULMOSKSQPNN-ZJUUUORDSA-N 0 0 181.279 1.949 10 0 ADAERN COc1c(CCO)cc(C)c(C)c1O 258136267 573808446 /nfs/dbraw/zinc/80/84/46/573808446.db2.gz SBJRTKFFFNWXFO-UHFFFAOYSA-N 0 0 196.246 1.552 10 0 ADAERN CCc1cc(Cn2cccc2)n(C)n1 84268546 573808455 /nfs/dbraw/zinc/80/84/55/573808455.db2.gz LWABVVOBULKLCS-UHFFFAOYSA-N 0 0 189.262 1.832 10 0 ADAERN CC[C@H](O)CCc1cc(C)nn1C 84266572 573808463 /nfs/dbraw/zinc/80/84/63/573808463.db2.gz FUFFXUVZJVPEJA-JTQLQIEISA-N 0 0 182.267 1.432 10 0 ADAERN CCn1nc(C)cc1C[C@H](O)C1CC1 84262543 573808472 /nfs/dbraw/zinc/80/84/72/573808472.db2.gz LBGHZHQXGJNILK-NSHDSACASA-N 0 0 194.278 1.525 10 0 ADAERN Cc1nc(CO)oc1Br 238528554 573808490 /nfs/dbraw/zinc/80/84/90/573808490.db2.gz GBMGZPCVKXYRTK-UHFFFAOYSA-N 0 0 192.012 1.238 10 0 ADAERN Cc1cnc(N)c(C)c1Cl 238530249 573808498 /nfs/dbraw/zinc/80/84/98/573808498.db2.gz UMUSBVDYAAZMIR-UHFFFAOYSA-N 0 0 156.616 1.934 10 0 ADAERN CCCC(=O)NC[C@H]1C[C@@H]1C1CC1 393591097 573808514 /nfs/dbraw/zinc/80/85/14/573808514.db2.gz PCTULMOSKSQPNN-NXEZZACHSA-N 0 0 181.279 1.949 10 0 ADAERN CC(C)(C)C(=O)C[C@@H]1C[C@@]1(C)O 238122518 573808516 /nfs/dbraw/zinc/80/85/16/573808516.db2.gz RJIZVBPODFTEMN-GMSGAONNSA-N 0 0 170.252 1.763 10 0 ADAERN CCC(=O)Cc1cc(C)nn1C 84263688 573808525 /nfs/dbraw/zinc/80/85/25/573808525.db2.gz JJIORYHKDICPOG-UHFFFAOYSA-N 0 0 166.224 1.250 10 0 ADAERN CO[C@@](C)(CO)C1CCCC1 258430390 573808548 /nfs/dbraw/zinc/80/85/48/573808548.db2.gz CVKBDIKWECGFRE-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN C=Cc1cc(C)c(N)c(C)n1 209745672 573808582 /nfs/dbraw/zinc/80/85/82/573808582.db2.gz UNUYSSNZPZPZHH-UHFFFAOYSA-N 0 0 148.209 1.924 10 0 ADAERN CC(=O)Oc1cc2n(c1C)CCC2 238122092 573808625 /nfs/dbraw/zinc/80/86/25/573808625.db2.gz CJBNHLHJDJRPAM-UHFFFAOYSA-N 0 0 179.219 1.668 10 0 ADAERN COc1ccc(F)cc1[C@H](N)OC 259571489 573808633 /nfs/dbraw/zinc/80/86/33/573808633.db2.gz VPGOXFIMCIBGKC-SECBINFHSA-N 0 0 185.198 1.438 10 0 ADAERN O=C1Cc2cccc(CCCO)c2N1 258138406 573808634 /nfs/dbraw/zinc/80/86/34/573808634.db2.gz SBTIZGLVJVIEPF-UHFFFAOYSA-N 0 0 191.230 1.106 10 0 ADAERN Cc1cc(C[C@@H](O)C(C)(C)C)n(C)n1 84262919 573808638 /nfs/dbraw/zinc/80/86/38/573808638.db2.gz HBCIQRRJBZCZPC-SNVBAGLBSA-N 0 0 196.294 1.678 10 0 ADAERN CC[C@H](O)[C@@H](C)Cc1cc(C)nn1C 84266717 573808656 /nfs/dbraw/zinc/80/86/56/573808656.db2.gz FNBDKTVCPAHQKL-KWQFWETISA-N 0 0 196.294 1.678 10 0 ADAERN O=Cc1c2c(nn1C1CC1)CSC2 257879291 573808667 /nfs/dbraw/zinc/80/86/67/573808667.db2.gz VCKIJYPOCBVRRG-UHFFFAOYSA-N 0 0 194.259 1.777 10 0 ADAERN Cc1nc(CO)cn1C1CCC1 238528435 573808673 /nfs/dbraw/zinc/80/86/73/573808673.db2.gz NQJRJIZKULGBTD-UHFFFAOYSA-N 0 0 166.224 1.409 10 0 ADAERN COCCCCc1cnc(N)s1 131270872 573808698 /nfs/dbraw/zinc/80/86/98/573808698.db2.gz YSRAOUGWAQRBKZ-UHFFFAOYSA-N 0 0 186.280 1.694 10 0 ADAERN Cc1nc(CN2CCCO2)oc1C 306186604 573808717 /nfs/dbraw/zinc/80/87/17/573808717.db2.gz BHXYXURXECBXIU-UHFFFAOYSA-N 0 0 182.223 1.429 10 0 ADAERN COc1ccc(C[C@@H](F)C(N)=O)cc1 258138179 573808724 /nfs/dbraw/zinc/80/87/24/573808724.db2.gz QWLRTEWCRVJVFA-SECBINFHSA-N 0 0 197.209 1.061 10 0 ADAERN COc1cccc(F)c1OCCO 308444369 573808754 /nfs/dbraw/zinc/80/87/54/573808754.db2.gz ARCZOHUECYXKDV-UHFFFAOYSA-N 0 0 186.182 1.205 10 0 ADAERN C[Si](C)(C)N[C@H](O)C(F)(F)F 238529445 573808792 /nfs/dbraw/zinc/80/87/92/573808792.db2.gz NPEMUGKGVYFNSJ-SCSAIBSYSA-N 0 0 187.237 1.292 10 0 ADAERN C[C@H](O)c1cnc([C@H]2CCOC2)o1 258137463 573808793 /nfs/dbraw/zinc/80/87/93/573808793.db2.gz PQBHLZRXUBQREH-BQBZGAKWSA-N 0 0 183.207 1.232 10 0 ADAERN Cc1cc(CC(=O)C(C)(C)C)n(C)n1 84263741 573808813 /nfs/dbraw/zinc/80/88/13/573808813.db2.gz FBIKNTPCZQHIMA-UHFFFAOYSA-N 0 0 194.278 1.886 10 0 ADAERN CCn1nc(C)cc1C[C@H](C)O 84262730 573808831 /nfs/dbraw/zinc/80/88/31/573808831.db2.gz XYMWICMUZVZXPZ-QMMMGPOBSA-N 0 0 168.240 1.135 10 0 ADAERN Cc1cc(CO)c2c(c1C)OCCO2 258138555 573808838 /nfs/dbraw/zinc/80/88/38/573808838.db2.gz SDYSCPJINKUBOW-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]CCC1CCC1 308443900 573808841 /nfs/dbraw/zinc/80/88/41/573808841.db2.gz LYGHXHBOJHWTEL-CLFYSBASSA-N 0 0 197.278 1.797 10 0 ADAERN C[C@@H]1C[C@@]1(CO)c1cc[nH]c1 258955838 573808847 /nfs/dbraw/zinc/80/88/47/573808847.db2.gz FVLSDGGMAYTMIR-APPZFPTMSA-N 0 0 151.209 1.285 10 0 ADAERN Cc1nc(C(C)(C)C)nc(C)c1CO 257882469 573808878 /nfs/dbraw/zinc/80/88/78/573808878.db2.gz FTYHGTQAOVHZDV-UHFFFAOYSA-N 0 0 194.278 1.883 10 0 ADAERN O=C1CC[C@@H]2C[C@H](F)CC[C@@H]2N1 238529210 573808884 /nfs/dbraw/zinc/80/88/84/573808884.db2.gz MSUVJQPERNONQN-PRJMDXOYSA-N 0 0 171.215 1.403 10 0 ADAERN Cc1cc(C[C@@H]2CCC[C@@H]2O)n(C)n1 84266466 573808892 /nfs/dbraw/zinc/80/88/92/573808892.db2.gz WHIANGYBVYNZAY-ONGXEEELSA-N 0 0 194.278 1.432 10 0 ADAERN CC(C)COCC(=O)OC(C)C 43446850 573809228 /nfs/dbraw/zinc/80/92/28/573809228.db2.gz LHKKPWWXHBLGBZ-UHFFFAOYSA-N 0 0 174.240 1.611 10 0 ADAERN Cc1nc([C@@H]2CNC(=O)O2)c(C)o1 238529135 573808920 /nfs/dbraw/zinc/80/89/20/573808920.db2.gz KTQMCXAOHGVXKK-LURJTMIESA-N 0 0 182.179 1.072 10 0 ADAERN C[NH2+][C@H](c1cccs1)[C@H](C)C(=O)[O-] 259195826 573808922 /nfs/dbraw/zinc/80/89/22/573808922.db2.gz FCWMJZTZXZVHCU-XPUUQOCRSA-N 0 0 199.275 1.729 10 0 ADAERN Cc1nsc2cc(CON)ccc12 258138412 573808975 /nfs/dbraw/zinc/80/89/75/573808975.db2.gz SBVDQBBWMJRSKN-UHFFFAOYSA-N 0 0 194.259 1.995 10 0 ADAERN Cc1cc(C[C@H](O)C2CC2)n(C)n1 84262516 573808979 /nfs/dbraw/zinc/80/89/79/573808979.db2.gz VGUNJGGOAJVDFD-JTQLQIEISA-N 0 0 180.251 1.042 10 0 ADAERN COc1cc(F)cc([C@H](C)CO)c1 258138732 573808982 /nfs/dbraw/zinc/80/89/82/573808982.db2.gz SHSPJNQAPNRBGF-SSDOTTSWSA-N 0 0 184.210 1.930 10 0 ADAERN C[C@H]([NH3+])C(=O)c1ccc(Cl)cc1N 257882629 573809229 /nfs/dbraw/zinc/80/92/29/573809229.db2.gz SFLZOCPUUWFDBO-YFKPBYRVSA-N 0 0 198.653 1.452 10 0 ADAERN CC(C)(C)Cn1ncc(CO)c1N 258139219 573809019 /nfs/dbraw/zinc/80/90/19/573809019.db2.gz XFYIDPPKOBQHOK-UHFFFAOYSA-N 0 0 183.255 1.004 10 0 ADAERN O=Cc1cnoc1[C@H]1CCCO1 259197476 573809020 /nfs/dbraw/zinc/80/90/20/573809020.db2.gz KNTOYSSJXRKGKI-SSDOTTSWSA-N 0 0 167.164 1.339 10 0 ADAERN Cc1cc(CCCO)c2c(c1)OCO2 258138463 573809026 /nfs/dbraw/zinc/80/90/26/573809026.db2.gz SCWXWTGJDXUBAI-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN CSc1ccc(C(=O)CN)cc1O 258138495 573809033 /nfs/dbraw/zinc/80/90/33/573809033.db2.gz SDGCYDKZMDRPBB-UHFFFAOYSA-N 0 0 197.259 1.256 10 0 ADAERN CC[C@@H](C)N[C@H](C(=O)OC)C1CC1 41047637 573811188 /nfs/dbraw/zinc/81/11/88/573811188.db2.gz FKUXZXMZVLRPES-APPZFPTMSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@@H](O)c1coc([C@@H]2CCSC2)n1 258139539 573813750 /nfs/dbraw/zinc/81/37/50/573813750.db2.gz PTGRTVCWFRQSST-RNFRBKRXSA-N 0 0 199.275 1.948 10 0 ADAERN CC(=O)Oc1ccc2c(c1)NCCC2 238123263 573811228 /nfs/dbraw/zinc/81/12/28/573811228.db2.gz DEKVLUXCGWBMKH-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN O=C1C[C@]2(CCCc3cccnc32)N1 716196018 573811234 /nfs/dbraw/zinc/81/12/34/573811234.db2.gz SLWUMQBZYIZBDR-NSHDSACASA-N 0 0 188.230 1.133 10 0 ADAERN Cc1ccc2ccnn2c1C=O 238530039 573811255 /nfs/dbraw/zinc/81/12/55/573811255.db2.gz JLXPKWWDUGPMFK-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN Cc1ccc(O)c(NC(=O)[C@@H]2CO2)c1 238528982 573811260 /nfs/dbraw/zinc/81/12/60/573811260.db2.gz AHPGUCMNCHXMBR-VIFPVBQESA-N 0 0 193.202 1.038 10 0 ADAERN CNC(=O)N(C)[C@@H](C)CSC 125157962 573811267 /nfs/dbraw/zinc/81/12/67/573811267.db2.gz HDTKLEHBDPRTRU-LURJTMIESA-N 0 0 176.285 1.009 10 0 ADAERN C[C@H](O)C(=O)c1cccc(F)c1 100613627 573811269 /nfs/dbraw/zinc/81/12/69/573811269.db2.gz IWFXDIHTNIZAKH-LURJTMIESA-N 0 0 168.167 1.389 10 0 ADAERN O=C([O-])c1c[nH]c(N2CCCCC2)n1 257882624 573811285 /nfs/dbraw/zinc/81/12/85/573811285.db2.gz KLONHLFKTWCITH-UHFFFAOYSA-N 0 0 195.222 1.098 10 0 ADAERN Cc1coc([C@H](N)c2ccn(C)n2)c1 716196936 573811017 /nfs/dbraw/zinc/81/10/17/573811017.db2.gz AKMJTDOACYYNLX-SNVBAGLBSA-N 0 0 191.234 1.370 10 0 ADAERN CCC(CC)NCC(=O)OC(C)C 43446088 573811019 /nfs/dbraw/zinc/81/10/19/573811019.db2.gz OWMPTSVIIFTFPK-UHFFFAOYSA-N 0 0 187.283 1.716 10 0 ADAERN CCCC(=O)N1CC(=O)CCC1(C)C 259196486 573811008 /nfs/dbraw/zinc/81/10/08/573811008.db2.gz PKDWIENCGVDHLT-UHFFFAOYSA-N 0 0 197.278 1.757 10 0 ADAERN C[C@@H]1CN(C)c2cc(N)ccc2N1 259197346 573811292 /nfs/dbraw/zinc/81/12/92/573811292.db2.gz KLVVWMCNHDOMPM-SSDOTTSWSA-N 0 0 177.251 1.519 10 0 ADAERN COc1cc(C)c(O)cc1[C@@H](C)O 258138467 573811048 /nfs/dbraw/zinc/81/10/48/573811048.db2.gz SCXQSQJQOXAKRT-SSDOTTSWSA-N 0 0 182.219 1.763 10 0 ADAERN Cc1cnc(N)c(C(F)F)c1C=O 238529778 573811072 /nfs/dbraw/zinc/81/10/72/573811072.db2.gz FGMFBFYQZCCVPD-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Oc1cccc(C[C@@H]2CCOC2)c1 257882166 573811076 /nfs/dbraw/zinc/81/10/76/573811076.db2.gz MFDWIHZBSQRJEF-JTQLQIEISA-N 0 0 178.231 1.971 10 0 ADAERN CC[C@@H](C)[C@@]1(CO)CCOC1 87176249 573811081 /nfs/dbraw/zinc/81/10/81/573811081.db2.gz QRRDJMWMEMVCBF-RKDXNWHRSA-N 0 0 158.241 1.432 10 0 ADAERN Cc1nc(CO)sc1Cl 238528617 573811099 /nfs/dbraw/zinc/81/10/99/573811099.db2.gz QKEODXNLWMEUKZ-UHFFFAOYSA-N 0 0 163.629 1.597 10 0 ADAERN CC(C)CC(=O)NC(=O)C(C)C 238121913 573811138 /nfs/dbraw/zinc/81/11/38/573811138.db2.gz ASVYRXVCIWNAOL-UHFFFAOYSA-N 0 0 171.240 1.331 10 0 ADAERN Cc1coc([C@@H](N)c2ccn(C)n2)c1 716196934 573811162 /nfs/dbraw/zinc/81/11/62/573811162.db2.gz AKMJTDOACYYNLX-JTQLQIEISA-N 0 0 191.234 1.370 10 0 ADAERN Cc1noc(C)c1-c1ncc(N)n1C 238529643 573811163 /nfs/dbraw/zinc/81/11/63/573811163.db2.gz MQUMHNINQQMISC-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN CC(C)(C)Cc1nc(CCO)co1 257879682 573811165 /nfs/dbraw/zinc/81/11/65/573811165.db2.gz AELILPFPGUMJKT-UHFFFAOYSA-N 0 0 183.251 1.798 10 0 ADAERN CC(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]12 238123720 573811166 /nfs/dbraw/zinc/81/11/66/573811166.db2.gz JBSRXWWWDDOZPL-YBXAARCKSA-N 0 0 193.290 1.947 10 0 ADAERN CC[C@H](O)Cc1cc(C)nn1C 84262734 573811176 /nfs/dbraw/zinc/81/11/76/573811176.db2.gz FAPQCXVTQNAHMX-VIFPVBQESA-N 0 0 168.240 1.042 10 0 ADAERN CC[C@@](C)(O)Cc1cc(C)nn1C 84261839 573811271 /nfs/dbraw/zinc/81/12/71/573811271.db2.gz YSYIZQCJJRIRBK-SNVBAGLBSA-N 0 0 182.267 1.432 10 0 ADAERN Cc1ccn(Cc2ccc(O)cc2)n1 87183513 573811275 /nfs/dbraw/zinc/81/12/75/573811275.db2.gz GIBZYTAQMHZSPR-UHFFFAOYSA-N 0 0 188.230 1.945 10 0 ADAERN Cc1ccc(O)c([C@@H]2CNC(=O)C2)c1 238529915 573811311 /nfs/dbraw/zinc/81/13/11/573811311.db2.gz CZIJCJRJDOIKHW-QMMMGPOBSA-N 0 0 191.230 1.304 10 0 ADAERN Nc1cc(C2CCSCC2)[nH]n1 257882172 573811312 /nfs/dbraw/zinc/81/13/12/573811312.db2.gz MFEQWCFXJKNFKV-UHFFFAOYSA-N 0 0 183.280 1.603 10 0 ADAERN CCCCCN(C)c1nnns1 259196603 573811321 /nfs/dbraw/zinc/81/13/21/573811321.db2.gz WTGBIJCASYSROF-UHFFFAOYSA-N 0 0 186.284 1.560 10 0 ADAERN CC[C@@H](O)Cc1cc(C)nn1C 84262737 573811327 /nfs/dbraw/zinc/81/13/27/573811327.db2.gz FAPQCXVTQNAHMX-SECBINFHSA-N 0 0 168.240 1.042 10 0 ADAERN CCCCOC(=O)Cn1ccnc1C 43447675 573811333 /nfs/dbraw/zinc/81/13/33/573811333.db2.gz AVQOCMBIIJXKPU-UHFFFAOYSA-N 0 0 196.250 1.535 10 0 ADAERN CCn1nc(C)cc1C[C@@H](O)C(C)C 84262357 573811361 /nfs/dbraw/zinc/81/13/61/573811361.db2.gz AQGVEIVSRCEZAH-LLVKDONJSA-N 0 0 196.294 1.771 10 0 ADAERN CC(C)=C1CC[C@@H](CNC(N)=O)C1 238121896 573811365 /nfs/dbraw/zinc/81/13/65/573811365.db2.gz GKBZFZDCWFVWFE-MRVPVSSYSA-N 0 0 182.267 1.791 10 0 ADAERN CC(C)CC[C@H](C)N1C(=O)CN[C@@H]1C 127288641 573811626 /nfs/dbraw/zinc/81/16/26/573811626.db2.gz WYWAIHBZHKMIAU-UWVGGRQHSA-N 0 0 198.310 1.589 10 0 ADAERN CC(C)(C)c1ncc(C(=O)[O-])c(N)n1 125159853 573811380 /nfs/dbraw/zinc/81/13/80/573811380.db2.gz URQRPEQPRCPBFQ-UHFFFAOYSA-N 0 0 195.222 1.055 10 0 ADAERN Cc1cnc([C@@H](CC(C)C)NN)cn1 127275174 573811391 /nfs/dbraw/zinc/81/13/91/573811391.db2.gz SMNRBWCCSHGTMI-SECBINFHSA-N 0 0 194.282 1.336 10 0 ADAERN Cc1ccc(O)c(NC(=O)[C@H]2CO2)c1 238529010 573811393 /nfs/dbraw/zinc/81/13/93/573811393.db2.gz AHPGUCMNCHXMBR-SECBINFHSA-N 0 0 193.202 1.038 10 0 ADAERN Cc1cc(C[C@H]2CCC[C@H]2O)n(C)n1 84266473 573811399 /nfs/dbraw/zinc/81/13/99/573811399.db2.gz WHIANGYBVYNZAY-MWLCHTKSSA-N 0 0 194.278 1.432 10 0 ADAERN COc1nccc(C(C)(C)C)n1 259196383 573811411 /nfs/dbraw/zinc/81/14/11/573811411.db2.gz WCVUMAYFCLEFSD-UHFFFAOYSA-N 0 0 166.224 1.783 10 0 ADAERN COC(=O)CC(=O)[C@@H]1CC2CC1C2 257878998 573811418 /nfs/dbraw/zinc/81/14/18/573811418.db2.gz LRABEIHAMODHAD-KAVNDROISA-N 0 0 182.219 1.165 10 0 ADAERN COC(=O)[C@@]1(C)CC=C[C@H](O)CCC1 222035863 573811479 /nfs/dbraw/zinc/81/14/79/573811479.db2.gz PJJBYIFJXJUBRY-ONGXEEELSA-N 0 0 198.262 1.657 10 0 ADAERN CCc1cc(Cn2ccnc2)n(C)n1 84268555 573811480 /nfs/dbraw/zinc/81/14/80/573811480.db2.gz XXKZJBONDJCRPV-UHFFFAOYSA-N 0 0 190.250 1.227 10 0 ADAERN Cc1c(N)[nH]cc(C(F)F)c1=O 238529062 573811481 /nfs/dbraw/zinc/81/14/81/573811481.db2.gz XMQBAJRKAHYTOL-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN Cc1c(N)ncc(O)c1C(F)F 238529489 573811491 /nfs/dbraw/zinc/81/14/91/573811491.db2.gz GROQHRNGXIPYMH-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC(C)[N@@H+]1Cc2c(n(C)[nH]c2=O)[C@H]1C 107236676 573811492 /nfs/dbraw/zinc/81/14/92/573811492.db2.gz NNCARKVMUIYWEO-SSDOTTSWSA-N 0 0 195.266 1.411 10 0 ADAERN CO[C@](C)(CO)C1CCCC1 258430384 573811527 /nfs/dbraw/zinc/81/15/27/573811527.db2.gz CVKBDIKWECGFRE-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN O=C1NCc2c(OC(F)F)cccc21 238529749 573811523 /nfs/dbraw/zinc/81/15/23/573811523.db2.gz XWHJUYYETACGLO-UHFFFAOYSA-N 0 0 199.156 1.531 10 0 ADAERN Cc1cc(CC2=C[C@H](O)CC2)n(C)n1 84269521 573811534 /nfs/dbraw/zinc/81/15/34/573811534.db2.gz FDQNMLMCYJHSGZ-LLVKDONJSA-N 0 0 192.262 1.352 10 0 ADAERN CCCCOC(=O)c1cc(N)c[nH]1 41046580 573811551 /nfs/dbraw/zinc/81/15/51/573811551.db2.gz HFONBGGRCKVPPW-UHFFFAOYSA-N 0 0 182.223 1.554 10 0 ADAERN Cc1cc(C[C@H](O)[C@H]2C[C@@H]2C)n(C)n1 84264580 573811553 /nfs/dbraw/zinc/81/15/53/573811553.db2.gz QMECNDBIIDUFBQ-SWPVVBRQSA-N 0 0 194.278 1.288 10 0 ADAERN CC[C@H](O)Cc1ccc(O)cc1 87179824 573811557 /nfs/dbraw/zinc/81/15/57/573811557.db2.gz ZCHFOZPKILTRNQ-VIFPVBQESA-N 0 0 166.220 1.706 10 0 ADAERN CC(=O)c1c(O)c(C)cc(C)c1O 238123571 573811573 /nfs/dbraw/zinc/81/15/73/573811573.db2.gz UVVAZUPYTQILGK-UHFFFAOYSA-N 0 0 180.203 1.917 10 0 ADAERN CC[C@H](C)C[C@H](COC(C)C)NN 131297693 573811575 /nfs/dbraw/zinc/81/15/75/573811575.db2.gz ZAIVICLNXPNWER-VHSXEESVSA-N 0 0 188.315 1.680 10 0 ADAERN Nc1[nH]c(=O)nc2cc(F)ccc12 257882160 573811576 /nfs/dbraw/zinc/81/15/76/573811576.db2.gz MEZWTLNMCKMOLD-UHFFFAOYSA-N 0 0 179.154 1.057 10 0 ADAERN CC(C)(C)C(=O)C[C@H]1C[C@]1(C)O 238122923 573811581 /nfs/dbraw/zinc/81/15/81/573811581.db2.gz RJIZVBPODFTEMN-XVKPBYJWSA-N 0 0 170.252 1.763 10 0 ADAERN Oc1cccc(CC2(O)CCC2)c1 87180057 573811590 /nfs/dbraw/zinc/81/15/90/573811590.db2.gz FNLAUFWLRJDLLZ-UHFFFAOYSA-N 0 0 178.231 1.850 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1)NCC2 257882187 573811612 /nfs/dbraw/zinc/81/16/12/573811612.db2.gz MFMLLEHOLNZNQE-QMMMGPOBSA-N 0 0 177.247 1.578 10 0 ADAERN Cc1cc(C[C@](C)(O)C2CC2)n(C)n1 84261902 573811619 /nfs/dbraw/zinc/81/16/19/573811619.db2.gz IBFPMHWWWNMBBY-NSHDSACASA-N 0 0 194.278 1.432 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1cccc(O)c1 87180876 573812598 /nfs/dbraw/zinc/81/25/98/573812598.db2.gz JGSVVNRRVCBUSI-JFUSQASVSA-N 0 0 192.258 1.952 10 0 ADAERN CC(C)c1[nH]c(=O)c(N)cc1N 258433731 573813025 /nfs/dbraw/zinc/81/30/25/573813025.db2.gz DCQZVUBCZSYGHD-UHFFFAOYSA-N 0 0 167.212 1.075 10 0 ADAERN CC(C)COC(=O)c1cc(N)c[nH]1 41046738 573813031 /nfs/dbraw/zinc/81/30/31/573813031.db2.gz KMMSWYBXJWJJFL-UHFFFAOYSA-N 0 0 182.223 1.410 10 0 ADAERN NOCc1ccc2c(c1)OCS2 258145359 573813662 /nfs/dbraw/zinc/81/36/62/573813662.db2.gz SVYGKPHMZBEMOU-UHFFFAOYSA-N 0 0 183.232 1.519 10 0 ADAERN Cc1nc(CC[C@H](C)O)cs1 84274635 573813676 /nfs/dbraw/zinc/81/36/76/573813676.db2.gz FXRNAGNOINETTA-LURJTMIESA-N 0 0 171.265 1.765 10 0 ADAERN CC(=O)c1cc(C(C)(C)O)co1 238128837 573812599 /nfs/dbraw/zinc/81/25/99/573812599.db2.gz CCNZFORCOPWBNC-UHFFFAOYSA-N 0 0 168.192 1.710 10 0 ADAERN Cc1nn(C)c2ccccc2c1=O 238530557 573813692 /nfs/dbraw/zinc/81/36/92/573813692.db2.gz OMHIPSHAHHWVHB-UHFFFAOYSA-N 0 0 174.203 1.242 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)C(=O)N(C)C2 258141006 573812532 /nfs/dbraw/zinc/81/25/32/573812532.db2.gz SOONFSUGPHBBKM-SSDOTTSWSA-N 0 0 191.230 1.326 10 0 ADAERN O=C1CCCNN1c1ccccc1O 257880368 573812557 /nfs/dbraw/zinc/81/25/57/573812557.db2.gz VJHOSPSOJZOMSK-UHFFFAOYSA-N 0 0 192.218 1.024 10 0 ADAERN CC(C)=C1CC[C@](C)(C(N)=O)C1 238122965 573812564 /nfs/dbraw/zinc/81/25/64/573812564.db2.gz MPSFHRRZUVGKFY-JTQLQIEISA-N 0 0 167.252 1.998 10 0 ADAERN CCO[C@@H]1C[C@H]1[C@@H](C=C(C)C)NN 689892958 573812568 /nfs/dbraw/zinc/81/25/68/573812568.db2.gz YLJVRVPYVNOFAJ-IVZWLZJFSA-N 0 0 184.283 1.210 10 0 ADAERN O=C(Cc1cccc(O)c1)C1CC1 87180337 573812570 /nfs/dbraw/zinc/81/25/70/573812570.db2.gz UXDCFHYNOXATQC-UHFFFAOYSA-N 0 0 176.215 1.914 10 0 ADAERN NOCC(=O)C1CCCCC1 258435335 573812576 /nfs/dbraw/zinc/81/25/76/573812576.db2.gz DIXPXPKEWMIEQK-UHFFFAOYSA-N 0 0 157.213 1.026 10 0 ADAERN CC[C@H](C)[C@]1(CO)CCOC1 87176246 573812590 /nfs/dbraw/zinc/81/25/90/573812590.db2.gz QRRDJMWMEMVCBF-IUCAKERBSA-N 0 0 158.241 1.432 10 0 ADAERN COCCN1CCC(=O)CC1(C)C 259199668 573812661 /nfs/dbraw/zinc/81/26/61/573812661.db2.gz BZPFJHPOEYLOAT-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN CCc1nn(CC)c(CO)c1Cl 84298592 573812675 /nfs/dbraw/zinc/81/26/75/573812675.db2.gz LCOWWBFPKRVPJY-UHFFFAOYSA-N 0 0 188.658 1.611 10 0 ADAERN CC[C@@H](O)Cc1ccc(O)cc1 87179825 573812679 /nfs/dbraw/zinc/81/26/79/573812679.db2.gz ZCHFOZPKILTRNQ-SECBINFHSA-N 0 0 166.220 1.706 10 0 ADAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])C1CC1 41047636 573812690 /nfs/dbraw/zinc/81/26/90/573812690.db2.gz ZACKNGJSBCZRDG-POYBYMJQSA-N 0 0 171.240 1.238 10 0 ADAERN CC[C@@H](C)C[C@H](COC(C)C)NN 131297488 573812692 /nfs/dbraw/zinc/81/26/92/573812692.db2.gz ZAIVICLNXPNWER-NXEZZACHSA-N 0 0 188.315 1.680 10 0 ADAERN CC(C)C[C@](C[NH3+])(C(=O)[O-])[C@H](C)F 257880225 573812701 /nfs/dbraw/zinc/81/27/01/573812701.db2.gz VHUVBKUWRCGCTO-IONNQARKSA-N 0 0 191.246 1.420 10 0 ADAERN CC[C@@H]1CN(CCC(C)=O)C(=O)N1C 259199819 573812706 /nfs/dbraw/zinc/81/27/06/573812706.db2.gz AZWGDQFLERSGER-SECBINFHSA-N 0 0 198.266 1.112 10 0 ADAERN C[C@](O)(C1CCC1)C(F)(F)CN 257879994 573812721 /nfs/dbraw/zinc/81/27/21/573812721.db2.gz LTDYKRBRTYHMSJ-ZETCQYMHSA-N 0 0 179.210 1.132 10 0 ADAERN Nc1cnoc1C1CCOCC1 258433799 573812755 /nfs/dbraw/zinc/81/27/55/573812755.db2.gz DFIBEIATGFXXBH-UHFFFAOYSA-N 0 0 168.196 1.151 10 0 ADAERN CC[C@H](C)OC(=O)c1cc(N)c[nH]1 41046631 573812779 /nfs/dbraw/zinc/81/27/79/573812779.db2.gz SSIVQNFKYUQVNI-LURJTMIESA-N 0 0 182.223 1.552 10 0 ADAERN C[C@@H](O)Cc1c(F)ccc2c1CCO2 258145399 573812783 /nfs/dbraw/zinc/81/27/83/573812783.db2.gz SXBKFTPGKCOGFH-SSDOTTSWSA-N 0 0 196.221 1.684 10 0 ADAERN C[NH2+][C@@H](c1ccccc1OC)[C@@H](C)O 259198328 573812810 /nfs/dbraw/zinc/81/28/10/573812810.db2.gz IBJSIIUUNFVENA-LDYMZIIASA-N 0 0 195.262 1.337 10 0 ADAERN C[C@H](F)C[C@@H]1CCC[C@H]1O 259197689 573812835 /nfs/dbraw/zinc/81/28/35/573812835.db2.gz JAWKEDVDRXKTJH-BIIVOSGPSA-N 0 0 146.205 1.896 10 0 ADAERN Cn1cc(C=O)n2c(Cl)cnc12 257881056 573812847 /nfs/dbraw/zinc/81/28/47/573812847.db2.gz LXTCYRNJNXZXOQ-UHFFFAOYSA-N 0 0 183.598 1.139 10 0 ADAERN COc1cc(F)cc(CCCO)c1 258140912 573812848 /nfs/dbraw/zinc/81/28/48/573812848.db2.gz SMBYTYQXYCABSJ-UHFFFAOYSA-N 0 0 184.210 1.759 10 0 ADAERN C[C@](F)(C1CC1)C(F)(F)C[NH3+] 258433832 573812852 /nfs/dbraw/zinc/81/28/52/573812852.db2.gz DGQHFDRXRQPEJZ-LURJTMIESA-N 0 0 167.174 1.719 10 0 ADAERN Cc1nc(C[C@]2(O)CCOC2)cs1 84272541 573812862 /nfs/dbraw/zinc/81/28/62/573812862.db2.gz RKTZXJUHQZILQY-SECBINFHSA-N 0 0 199.275 1.145 10 0 ADAERN CO[C@](C)(CO)C1CCCCC1 257880048 573812876 /nfs/dbraw/zinc/81/28/76/573812876.db2.gz LWCBMFRTTKLJEU-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN Cc1ccc(C(=O)[C@@H](C)O)o1 100613738 573812880 /nfs/dbraw/zinc/81/28/80/573812880.db2.gz HTFIQHRCGZVISU-ZCFIWIBFSA-N 0 0 154.165 1.152 10 0 ADAERN CO[C@@H]1CCOc2cccc(N)c21 257879970 573812882 /nfs/dbraw/zinc/81/28/82/573812882.db2.gz LSJDBOYLJFJFRH-MRVPVSSYSA-N 0 0 179.219 1.739 10 0 ADAERN CCO[C@@H]1C[C@H]1[C@H](C=C(C)C)NN 689892968 573812885 /nfs/dbraw/zinc/81/28/85/573812885.db2.gz YLJVRVPYVNOFAJ-LPEHRKFASA-N 0 0 184.283 1.210 10 0 ADAERN CCOc1ccc(C(N)N)cc1F 259199141 573812892 /nfs/dbraw/zinc/81/28/92/573812892.db2.gz FZBZBNURRDWTCE-UHFFFAOYSA-N 0 0 184.214 1.140 10 0 ADAERN Cc1cccc([C@@]2(C)CC(=O)CN2)c1 258960349 573812905 /nfs/dbraw/zinc/81/29/05/573812905.db2.gz TUZNODQYDGQEBN-GFCCVEGCSA-N 0 0 189.258 1.773 10 0 ADAERN CO[C@H]([NH3+])c1c[nH]c2ccccc12 259198634 573813717 /nfs/dbraw/zinc/81/37/17/573813717.db2.gz DHRMHJYSQCWEHR-JTQLQIEISA-N 0 0 176.219 1.772 10 0 ADAERN CC(C)N(CCO)c1ccc(F)cn1 41045515 573812923 /nfs/dbraw/zinc/81/29/23/573812923.db2.gz GMGJSXWQBFQRMV-UHFFFAOYSA-N 0 0 198.241 1.428 10 0 ADAERN C[C@H](O)Cc1ccc(C2(O)CC2)cc1 258145350 573812942 /nfs/dbraw/zinc/81/29/42/573812942.db2.gz SVRZZKVBNZHTMV-VIFPVBQESA-N 0 0 192.258 1.591 10 0 ADAERN Oc1ccc(C[C@]2(O)CCOC2)cc1 87179550 573812959 /nfs/dbraw/zinc/81/29/59/573812959.db2.gz AVIRMGPBJXBHOC-LLVKDONJSA-N 0 0 194.230 1.086 10 0 ADAERN CC[C@H](C)N[C@@H](C(=O)OC)C1CC1 41047640 573812974 /nfs/dbraw/zinc/81/29/74/573812974.db2.gz FKUXZXMZVLRPES-IONNQARKSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@@H]1CCC[C@@H]([NH2+]C/C=C\C(=O)[O-])C1 308444024 573812977 /nfs/dbraw/zinc/81/29/77/573812977.db2.gz MCWGCBZGUUPMKX-KJJJKSGUSA-N 0 0 197.278 1.796 10 0 ADAERN CO[C@](C)(CO)Cc1cccc(F)c1 257880097 573813003 /nfs/dbraw/zinc/81/30/03/573813003.db2.gz RVIQMBWORXNREQ-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN O=C([O-])CC[C@@H]1[NH2+]Cc2ccccc21 258140598 573813721 /nfs/dbraw/zinc/81/37/21/573813721.db2.gz MQVIMMZJFPEWPX-JTQLQIEISA-N 0 0 191.230 1.696 10 0 ADAERN CCOc1ccc(C)cc1CCON 258141009 573813039 /nfs/dbraw/zinc/81/30/39/573813039.db2.gz SORHULRXRLILGR-UHFFFAOYSA-N 0 0 195.262 1.827 10 0 ADAERN CCC(CC)n1nnc(N)c1C 87177800 573813046 /nfs/dbraw/zinc/81/30/46/573813046.db2.gz YQHYUXFWUKDWJF-UHFFFAOYSA-N 0 0 168.244 1.530 10 0 ADAERN Cc1cc2nnsc2cc1O 238522191 573813073 /nfs/dbraw/zinc/81/30/73/573813073.db2.gz SBSWBURAPPAKBU-UHFFFAOYSA-N 0 0 166.205 1.705 10 0 ADAERN CC(=O)c1cc([C@H]2CCCOC2)n[nH]1 259200770 573813723 /nfs/dbraw/zinc/81/37/23/573813723.db2.gz KSSCDVUUQRAXMS-QMMMGPOBSA-N 0 0 194.234 1.506 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1cccc(O)c1 87180879 573813098 /nfs/dbraw/zinc/81/30/98/573813098.db2.gz JGSVVNRRVCBUSI-GGZOMVNGSA-N 0 0 192.258 1.952 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1CN[C@H](C)C1=O 127354827 573813116 /nfs/dbraw/zinc/81/31/16/573813116.db2.gz WQZPUITVQQFFTB-IVZWLZJFSA-N 0 0 198.310 1.589 10 0 ADAERN C[Si](C)(C)C/C(=C/CO)CO 238522873 573813117 /nfs/dbraw/zinc/81/31/17/573813117.db2.gz KQCCVXZDLDOBLB-XBXARRHUSA-N 0 0 174.316 1.236 10 0 ADAERN CC[C@@H](C)[C@@H](CO)Nc1cnccn1 308744237 573813124 /nfs/dbraw/zinc/81/31/24/573813124.db2.gz QOHQTIRDFOWSOW-RKDXNWHRSA-N 0 0 195.266 1.296 10 0 ADAERN Cc1cc2oc(=O)sc2cc1O 238522944 573813126 /nfs/dbraw/zinc/81/31/26/573813126.db2.gz SMUVYIJNJGQIDP-UHFFFAOYSA-N 0 0 182.200 1.869 10 0 ADAERN OCc1coc(-c2ccccn2)n1 258141819 573813131 /nfs/dbraw/zinc/81/31/31/573813131.db2.gz PWIARWNKVOGWLU-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN Cc1c(C(N)=O)cncc1C(F)F 238530534 573813135 /nfs/dbraw/zinc/81/31/35/573813135.db2.gz MBCWJDPQEFIRKH-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN CC(=O)c1cc(C=O)n2ccccc12 238132375 573813158 /nfs/dbraw/zinc/81/31/58/573813158.db2.gz DRGKGQCQNXEZNZ-UHFFFAOYSA-N 0 0 187.198 1.954 10 0 ADAERN CC(=O)N[C@@]1(C)CCC[C@H]1C(C)=O 238134037 573813170 /nfs/dbraw/zinc/81/31/70/573813170.db2.gz RTFNBGMSMIGLSJ-UWVGGRQHSA-N 0 0 183.251 1.270 10 0 ADAERN CCO[C@@H]1C[C@@H]1[C@@H](C=C(C)C)NN 689892971 573813171 /nfs/dbraw/zinc/81/31/71/573813171.db2.gz YLJVRVPYVNOFAJ-OPRDCNLKSA-N 0 0 184.283 1.210 10 0 ADAERN CC(C)(C)c1nocc1C(N)=O 238133901 573813197 /nfs/dbraw/zinc/81/31/97/573813197.db2.gz ZPNGVEFAPPGTIC-UHFFFAOYSA-N 0 0 168.196 1.071 10 0 ADAERN Cc1cc([C@H]2CCC(=O)N2)ccc1N 238521698 573813206 /nfs/dbraw/zinc/81/32/06/573813206.db2.gz IHUGRAFXPFEFPN-SNVBAGLBSA-N 0 0 190.246 1.528 10 0 ADAERN CC[C@@H](C)Cn1ncc(C)c1C[NH3+] 393591242 573813208 /nfs/dbraw/zinc/81/32/08/573813208.db2.gz QPPYFGZCNOURTI-MRVPVSSYSA-N 0 0 181.283 1.696 10 0 ADAERN Cc1cc(F)cc2[nH]c(=O)[nH]c12 238530401 573813213 /nfs/dbraw/zinc/81/32/13/573813213.db2.gz QMODGLIVONDWJE-UHFFFAOYSA-N 0 0 166.155 1.304 10 0 ADAERN COc1ccc(CCO)c2c1CCC2 258140986 573813224 /nfs/dbraw/zinc/81/32/24/573813224.db2.gz SOANQHFVJGQTJB-UHFFFAOYSA-N 0 0 192.258 1.719 10 0 ADAERN Oc1ccc(C[C@@]2(O)CCOC2)cc1 87179552 573813226 /nfs/dbraw/zinc/81/32/26/573813226.db2.gz AVIRMGPBJXBHOC-NSHDSACASA-N 0 0 194.230 1.086 10 0 ADAERN CC(C)(Cl)[C@H]1O[C@@H](O)C(C)(C)O1 238134552 573813229 /nfs/dbraw/zinc/81/32/29/573813229.db2.gz NVEIPELAJJEHFE-RITPCOANSA-N 0 0 194.658 1.474 10 0 ADAERN Nc1cc(C[C@H]2CCCCO2)on1 258434591 573813231 /nfs/dbraw/zinc/81/32/31/573813231.db2.gz FWZBETZXBKEDKK-SSDOTTSWSA-N 0 0 182.223 1.368 10 0 ADAERN CSc1ccc(C(=O)CN)c(O)c1 258145353 573813729 /nfs/dbraw/zinc/81/37/29/573813729.db2.gz SVTVJWVFWRZPPZ-UHFFFAOYSA-N 0 0 197.259 1.256 10 0 ADAERN Cc1cc(C(N)=O)c(Cl)cc1N 238522815 573813270 /nfs/dbraw/zinc/81/32/70/573813270.db2.gz YZGHQBPMQVGFKP-UHFFFAOYSA-N 0 0 184.626 1.330 10 0 ADAERN CC(C)(CO)c1ccc2c[nH]nc2c1 258145311 573813277 /nfs/dbraw/zinc/81/32/77/573813277.db2.gz SURDNZUBOZOLTJ-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN Cc1cc2nncn2c(=S)[nH]1 238521867 573813296 /nfs/dbraw/zinc/81/32/96/573813296.db2.gz ACRFSZKXQINMRF-UHFFFAOYSA-N 0 0 166.209 1.095 10 0 ADAERN CC[C@H](COC)N[C@@H](C)c1ccon1 308744633 573813299 /nfs/dbraw/zinc/81/32/99/573813299.db2.gz QTMCNBCHVABVDS-DTWKUNHWSA-N 0 0 198.266 1.750 10 0 ADAERN Cc1cc(F)c(C(F)F)c(CO)n1 238522780 573813304 /nfs/dbraw/zinc/81/33/04/573813304.db2.gz IFAIECJWOAZBCO-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C1CCC(CNc2nnns2)CC1 223505073 573813306 /nfs/dbraw/zinc/81/33/06/573813306.db2.gz BKCJLLFRVDLENY-UHFFFAOYSA-N 0 0 198.295 1.925 10 0 ADAERN Cc1nc(N)c2[nH]c(C)cc2n1 238522781 573813319 /nfs/dbraw/zinc/81/33/19/573813319.db2.gz CDXXORUHOHZODF-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN C=Cc1ccccc1[C@H]1CNC(=O)C1 238132968 573813348 /nfs/dbraw/zinc/81/33/48/573813348.db2.gz OXNSSGCEOYBUKL-SNVBAGLBSA-N 0 0 187.242 1.933 10 0 ADAERN Cc1cccc([C@]2(CO)CCO2)c1 258434913 573813382 /nfs/dbraw/zinc/81/33/82/573813382.db2.gz DTAZGEPZLLKOMG-LLVKDONJSA-N 0 0 178.231 1.603 10 0 ADAERN C[C@]1(CCO)CCCC1=O 258435342 573813384 /nfs/dbraw/zinc/81/33/84/573813384.db2.gz DJDROEPRDGEELP-MRVPVSSYSA-N 0 0 142.198 1.128 10 0 ADAERN NOCCc1cccc(F)c1Cl 258140815 573813386 /nfs/dbraw/zinc/81/33/86/573813386.db2.gz SIPGRXYNBNJCJU-UHFFFAOYSA-N 0 0 189.617 1.912 10 0 ADAERN Nc1onc(Cl)c1[C@@H]1CCCO1 257880237 573813403 /nfs/dbraw/zinc/81/34/03/573813403.db2.gz VHYWMGIXPSBUIC-BYPYZUCNSA-N 0 0 188.614 1.762 10 0 ADAERN C[NH2+][C@H](CCC(=O)OC)c1ccc[nH]1 259198142 573813405 /nfs/dbraw/zinc/81/34/05/573813405.db2.gz FFDKVRAXRCJNBY-MRVPVSSYSA-N 0 0 196.250 1.228 10 0 ADAERN Oc1ccc(C(F)(F)[C@@H]2CCN2)cc1 257880272 573813409 /nfs/dbraw/zinc/81/34/09/573813409.db2.gz RYNVSTOYVOYWJG-VIFPVBQESA-N 0 0 199.200 1.846 10 0 ADAERN C[C@@H](CC(C)(C)C)c1n[nH]c(=O)o1 222133614 573813441 /nfs/dbraw/zinc/81/34/41/573813441.db2.gz SWEQSIDBHKOJRG-LURJTMIESA-N 0 0 184.239 1.903 10 0 ADAERN C[C@@]1(C2CCC2)COC(=O)C1 258435326 573813442 /nfs/dbraw/zinc/81/34/42/573813442.db2.gz DISKHFDYEYZEHT-VIFPVBQESA-N 0 0 154.209 1.740 10 0 ADAERN C[C@H](F)C[C@H]1CCC[C@@H]1O 259197694 573813447 /nfs/dbraw/zinc/81/34/47/573813447.db2.gz JAWKEDVDRXKTJH-RNJXMRFFSA-N 0 0 146.205 1.896 10 0 ADAERN OCCCCc1cccc(O)c1 87184042 573813449 /nfs/dbraw/zinc/81/34/49/573813449.db2.gz JBRNMXJXXCHOBR-UHFFFAOYSA-N 0 0 166.220 1.707 10 0 ADAERN CC(=O)C[C@]12CCCC[C@H]1O2 238134460 573813494 /nfs/dbraw/zinc/81/34/94/573813494.db2.gz PNQRPPWXSAPAIC-RKDXNWHRSA-N 0 0 154.209 1.677 10 0 ADAERN OCCN(c1ccc(F)cn1)C1CC1 41045516 573813502 /nfs/dbraw/zinc/81/35/02/573813502.db2.gz KHJJCMCHMDQYMV-UHFFFAOYSA-N 0 0 196.225 1.182 10 0 ADAERN OCc1noc2c1[C@H](F)CCC2 258433870 573813530 /nfs/dbraw/zinc/81/35/30/573813530.db2.gz DHTOYWIRDTVSIM-RXMQYKEDSA-N 0 0 171.171 1.514 10 0 ADAERN C[C@H](O)[C@H](C)Cc1ccc(O)cc1 87182167 573813535 /nfs/dbraw/zinc/81/35/35/573813535.db2.gz RESCETUFUOZIBG-BDAKNGLRSA-N 0 0 180.247 1.952 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CCCCNC1=O 238132267 573813545 /nfs/dbraw/zinc/81/35/45/573813545.db2.gz HQTSJHYOMMVHAF-MRVPVSSYSA-N 0 0 197.278 1.518 10 0 ADAERN CCCCCOC(=O)c1cc(N)c[nH]1 41046798 573813553 /nfs/dbraw/zinc/81/35/53/573813553.db2.gz AHWMVKDRMINOQG-UHFFFAOYSA-N 0 0 196.250 1.944 10 0 ADAERN Cc1ncc2occ(C)c2n1 238522449 573813556 /nfs/dbraw/zinc/81/35/56/573813556.db2.gz LBTUAGCYSTWRFS-UHFFFAOYSA-N 0 0 148.165 1.840 10 0 ADAERN Cc1nc(C[C@@]2(O)CCOC2)cs1 84272542 573813559 /nfs/dbraw/zinc/81/35/59/573813559.db2.gz RKTZXJUHQZILQY-VIFPVBQESA-N 0 0 199.275 1.145 10 0 ADAERN CC(=O)c1cc(CO)c2ccccn12 238133497 573813570 /nfs/dbraw/zinc/81/35/70/573813570.db2.gz GDZGQZCEOCKOEX-UHFFFAOYSA-N 0 0 189.214 1.634 10 0 ADAERN CC(C)c1ccc(C(=O)[C@H](C)O)o1 100613755 573813594 /nfs/dbraw/zinc/81/35/94/573813594.db2.gz VWXWWTFIITYGJG-ZETCQYMHSA-N 0 0 182.219 1.967 10 0 ADAERN Cc1c(CO)nc2cc(Cl)ccn12 258139975 573813598 /nfs/dbraw/zinc/81/35/98/573813598.db2.gz QYNKHJQNVKVWFM-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN CCOCc1nc(C)cn1CC 257881137 573813599 /nfs/dbraw/zinc/81/35/99/573813599.db2.gz KCGUWKXMDZXFPF-UHFFFAOYSA-N 0 0 168.240 1.748 10 0 ADAERN COC(=O)c1c(SC)ccn1C 259622359 573813606 /nfs/dbraw/zinc/81/36/06/573813606.db2.gz NQMHKAYWMUXKMU-UHFFFAOYSA-N 0 0 185.248 1.534 10 0 ADAERN Cc1cc2c(c(CCO)c1C)OCO2 258140950 573813639 /nfs/dbraw/zinc/81/36/39/573813639.db2.gz SMLCVPHRSGDLNQ-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN CC(=O)O/C(C)=C/Br 238132969 573813622 /nfs/dbraw/zinc/81/36/22/573813622.db2.gz DLGKHIDWXHNSCY-ONEGZZNKSA-N 0 0 179.013 1.806 10 0 ADAERN O=c1nc(-c2ccco2)o[nH]1 258144813 573813623 /nfs/dbraw/zinc/81/36/23/573813623.db2.gz VSPZSUSFBBMCLG-UHFFFAOYSA-N 0 0 152.109 1.035 10 0 ADAERN C[C@@H](O)Cc1cn2ccsc2n1 84286303 573813627 /nfs/dbraw/zinc/81/36/27/573813627.db2.gz CWWFETMISHLUMV-ZCFIWIBFSA-N 0 0 182.248 1.319 10 0 ADAERN Cc1c(F)cc(CC[NH3+])cc1C(=O)[O-] 258140898 573815588 /nfs/dbraw/zinc/81/55/88/573815588.db2.gz SLMHWKMOEQVGOJ-UHFFFAOYSA-N 0 0 197.209 1.334 10 0 ADAERN C[NH2+][C@@H](CCC(=O)OC)c1ccc[nH]1 259198146 573815820 /nfs/dbraw/zinc/81/58/20/573815820.db2.gz FFDKVRAXRCJNBY-QMMMGPOBSA-N 0 0 196.250 1.228 10 0 ADAERN Nc1cccc(C2=NCCS2)c1 100722109 573814843 /nfs/dbraw/zinc/81/48/43/573814843.db2.gz ZVLYLTHRIXTJJP-UHFFFAOYSA-N 0 0 178.260 1.762 10 0 ADAERN C[C@H](CO)Cc1ccc(O)cc1 87184869 573818453 /nfs/dbraw/zinc/81/84/53/573818453.db2.gz XJHIHJWMPUCRJH-QMMMGPOBSA-N 0 0 166.220 1.563 10 0 ADAERN Cc1cc2c(cc1C[C@@H](C)O)OCO2 258140826 573814508 /nfs/dbraw/zinc/81/45/08/573814508.db2.gz SIXJJCRZFJPCJA-MRVPVSSYSA-N 0 0 194.230 1.647 10 0 ADAERN OCC1(Cc2ccccn2)CCC1 259199901 573814511 /nfs/dbraw/zinc/81/45/11/573814511.db2.gz RUOASSIQKZOQPG-UHFFFAOYSA-N 0 0 177.247 1.787 10 0 ADAERN CC[C@H](C)Cn1ncc(C)c1C[NH3+] 393591243 573814521 /nfs/dbraw/zinc/81/45/21/573814521.db2.gz QPPYFGZCNOURTI-QMMMGPOBSA-N 0 0 181.283 1.696 10 0 ADAERN CCc1nc(CC(=O)OC)sc1C 41043362 573814529 /nfs/dbraw/zinc/81/45/29/573814529.db2.gz NHTHDOBRGGHEBT-UHFFFAOYSA-N 0 0 199.275 1.729 10 0 ADAERN CCOC(=O)[C@@H](NC1CC1)C(C)(C)C 41051805 573818490 /nfs/dbraw/zinc/81/84/90/573818490.db2.gz GEGNJROGXOLSAZ-SECBINFHSA-N 0 0 199.294 1.716 10 0 ADAERN CCc1nnn(C(C)C)c1N 258433835 573814584 /nfs/dbraw/zinc/81/45/84/573814584.db2.gz DGQXZMDUXOEIRA-UHFFFAOYSA-N 0 0 154.217 1.004 10 0 ADAERN Cc1cc2c(cnn2C)[nH]1 258433814 573814608 /nfs/dbraw/zinc/81/46/08/573814608.db2.gz DFWWNVZJVHXYRX-UHFFFAOYSA-N 0 0 135.170 1.210 10 0 ADAERN CC1(C)CC[NH+]([C@@H]2C[C@H]2C(=O)[O-])CC1 259200825 573814611 /nfs/dbraw/zinc/81/46/11/573814611.db2.gz IWNSMTOMWXCQQX-RKDXNWHRSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1ccnn1Cc1cccc(O)c1 87183516 573814614 /nfs/dbraw/zinc/81/46/14/573814614.db2.gz QICFXCXQMUZKDJ-UHFFFAOYSA-N 0 0 188.230 1.945 10 0 ADAERN CCCc1nc2n(c1CO)CCCC2 259200863 573814619 /nfs/dbraw/zinc/81/46/19/573814619.db2.gz YUUWZOYMFCCTET-UHFFFAOYSA-N 0 0 194.278 1.664 10 0 ADAERN O=CC1=NO[C@H](c2ccc(F)cc2)C1 257885331 573814642 /nfs/dbraw/zinc/81/46/42/573814642.db2.gz WDYBRISBKNVNSD-JTQLQIEISA-N 0 0 193.177 1.842 10 0 ADAERN CC(C)C[C@@H]1C=C(C(=O)[O-])CC[NH2+]1 257881351 573814648 /nfs/dbraw/zinc/81/46/48/573814648.db2.gz MBJMEEFYPSEVFR-SECBINFHSA-N 0 0 183.251 1.405 10 0 ADAERN CC[C@H](C)[C@@]1(CO)CCOC1 87176251 573814655 /nfs/dbraw/zinc/81/46/55/573814655.db2.gz QRRDJMWMEMVCBF-DTWKUNHWSA-N 0 0 158.241 1.432 10 0 ADAERN CC1(C)Nc2cc(F)ccc2OC1=O 258434606 573814660 /nfs/dbraw/zinc/81/46/60/573814660.db2.gz FXPFWONPLPDSHW-UHFFFAOYSA-N 0 0 195.193 1.935 10 0 ADAERN CCCc1ccnc([C@@H]2CCC[NH2+]2)n1 259198896 573814665 /nfs/dbraw/zinc/81/46/65/573814665.db2.gz WHXRIGVSCQUUDB-JTQLQIEISA-N 0 0 191.278 1.854 10 0 ADAERN O=C([O-])c1oncc1C[NH2+]C1CCC1 257880314 573814669 /nfs/dbraw/zinc/81/46/69/573814669.db2.gz HAUVUTXJWZKLKO-UHFFFAOYSA-N 0 0 196.206 1.015 10 0 ADAERN COc1c(CCO)cnn1C1CCC1 258141365 573814673 /nfs/dbraw/zinc/81/46/73/573814673.db2.gz XJNZMRSTWGKLEU-UHFFFAOYSA-N 0 0 196.250 1.152 10 0 ADAERN CCn1nc(C)c(Cl)c1C[NH2+]C 84278251 573814704 /nfs/dbraw/zinc/81/47/04/573814704.db2.gz YNFXEOBOFSOUTC-UHFFFAOYSA-N 0 0 187.674 1.584 10 0 ADAERN Cn1ncc2c(F)ccc(C=O)c21 257879962 573814722 /nfs/dbraw/zinc/81/47/22/573814722.db2.gz LRWYIGMHEGGFOY-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN CC[C@H](C)CNC1(C(=O)OC)CCC1 308744627 573814728 /nfs/dbraw/zinc/81/47/28/573814728.db2.gz QTKZAELYOFZJSK-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@]1(c2ccccc2)O[C@H]1C(N)=O 100688054 573814733 /nfs/dbraw/zinc/81/47/33/573814733.db2.gz FDCNVPBLEQIPJP-GXSJLCMTSA-N 0 0 191.230 1.176 10 0 ADAERN CC(=O)Cc1ncc2cc(N)ccn12 258434937 573814757 /nfs/dbraw/zinc/81/47/57/573814757.db2.gz DTQAUUSLOZJCBR-UHFFFAOYSA-N 0 0 189.218 1.048 10 0 ADAERN COC(=O)c1cnnc(C2CC2)c1 222090692 573814758 /nfs/dbraw/zinc/81/47/58/573814758.db2.gz IJYYBVNJXJKEOO-UHFFFAOYSA-N 0 0 178.191 1.141 10 0 ADAERN COc1ccc(O)c([C@H](C)CO)c1 258145390 573814769 /nfs/dbraw/zinc/81/47/69/573814769.db2.gz SXBCBTRGJAQWIM-SSDOTTSWSA-N 0 0 182.219 1.497 10 0 ADAERN CC(C)c1ccc(NCCO)nn1 259200942 573814798 /nfs/dbraw/zinc/81/47/98/573814798.db2.gz IGLCKAAHQLMDRS-UHFFFAOYSA-N 0 0 181.239 1.004 10 0 ADAERN CCOC(=O)Nc1cccc(N)n1 100674768 573814799 /nfs/dbraw/zinc/81/47/99/573814799.db2.gz JSNYNRFXQGLGLF-UHFFFAOYSA-N 0 0 181.195 1.232 10 0 ADAERN CC1(CNC(=O)OC(C)(C)C)N=N1 238133499 573814802 /nfs/dbraw/zinc/81/48/02/573814802.db2.gz MHUXZIZAUIBWBW-UHFFFAOYSA-N 0 0 185.227 1.693 10 0 ADAERN Cc1cnc(CO)cc1C(F)F 238522105 573814810 /nfs/dbraw/zinc/81/48/10/573814810.db2.gz JBBGUOVFGGJTCA-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN Cc1cccc([C@@]2(CO)CCO2)c1 258434916 573814823 /nfs/dbraw/zinc/81/48/23/573814823.db2.gz DTAZGEPZLLKOMG-NSHDSACASA-N 0 0 178.231 1.603 10 0 ADAERN CC(=O)c1cc(C)n(C(C)=O)n1 238131726 573814831 /nfs/dbraw/zinc/81/48/31/573814831.db2.gz KJQZAULYPJHDHR-UHFFFAOYSA-N 0 0 166.180 1.054 10 0 ADAERN CCNC(=O)c1ccn(C(C)C)c1N 257880456 573814841 /nfs/dbraw/zinc/81/48/41/573814841.db2.gz HDRHTWXZOHAKRX-UHFFFAOYSA-N 0 0 195.266 1.401 10 0 ADAERN CC1=NC(Cl)=C(C)C2=NC(=O)CN12 238530513 573814848 /nfs/dbraw/zinc/81/48/48/573814848.db2.gz FGIRLEQIIVGZKP-UHFFFAOYSA-N 0 0 197.625 1.705 10 0 ADAERN Nc1cc(C(=O)NC2CCC2)ns1 257880417 573814863 /nfs/dbraw/zinc/81/48/63/573814863.db2.gz HCUWEOXZZNYALG-UHFFFAOYSA-N 0 0 197.263 1.008 10 0 ADAERN CCC(CC)=C1C[NH2+]C1 87177883 573814869 /nfs/dbraw/zinc/81/48/69/573814869.db2.gz BGPDGLCJTPWLDH-UHFFFAOYSA-N 0 0 125.215 1.706 10 0 ADAERN CC(C)(CO)CNc1cc[nH]c1 258962345 573814877 /nfs/dbraw/zinc/81/48/77/573814877.db2.gz XZTQOWLYYMLLFY-UHFFFAOYSA-N 0 0 168.240 1.445 10 0 ADAERN Cc1cc(=O)c2c(C)nn(C)c2o1 238522124 573814891 /nfs/dbraw/zinc/81/48/91/573814891.db2.gz JQIQTMOGRJVBSA-UHFFFAOYSA-N 0 0 178.191 1.143 10 0 ADAERN OCC(F)(F)Cc1cccc(F)c1 257880266 573814895 /nfs/dbraw/zinc/81/48/95/573814895.db2.gz VIFHGCOCEGXPHA-UHFFFAOYSA-N 0 0 190.164 1.996 10 0 ADAERN CC[C@]1(c2ccccc2)O[C@@H]1C(N)=O 100688058 573814897 /nfs/dbraw/zinc/81/48/97/573814897.db2.gz FDCNVPBLEQIPJP-MWLCHTKSSA-N 0 0 191.230 1.176 10 0 ADAERN O=C1C[C@@H](c2ccc(Cl)cn2)CN1 238521927 573814898 /nfs/dbraw/zinc/81/48/98/573814898.db2.gz MHMVSXDUONNUKT-ZCFIWIBFSA-N 0 0 196.637 1.339 10 0 ADAERN CC(=O)C[C@]12CCOC[C@H]1C2 238134586 573814904 /nfs/dbraw/zinc/81/49/04/573814904.db2.gz CHHXABMFJNWTSE-BDAKNGLRSA-N 0 0 154.209 1.392 10 0 ADAERN Cc1cc([C@H]2CCC(=O)N2)ccc1O 238521716 573814914 /nfs/dbraw/zinc/81/49/14/573814914.db2.gz XJJDFFXGDYPYOL-SECBINFHSA-N 0 0 191.230 1.652 10 0 ADAERN Cc1cc2c(cc1C)C(=O)C(=O)O2 238522363 573814921 /nfs/dbraw/zinc/81/49/21/573814921.db2.gz ZSFJESNMIAPOEW-UHFFFAOYSA-N 0 0 176.171 1.405 10 0 ADAERN CO[C@@H](CO)Cc1ccccc1F 257881234 573814928 /nfs/dbraw/zinc/81/49/28/573814928.db2.gz MADBKCWBWJZSHR-SECBINFHSA-N 0 0 184.210 1.376 10 0 ADAERN CC(C)(C)C(=O)[C@]1(O)CCCO1 238133129 573814931 /nfs/dbraw/zinc/81/49/31/573814931.db2.gz LZIHUFBAQBFTBC-VIFPVBQESA-N 0 0 172.224 1.101 10 0 ADAERN CNc1cc(C2CCC2)n(C)n1 259197995 573814942 /nfs/dbraw/zinc/81/49/42/573814942.db2.gz NCLGKKAGQZHIMZ-UHFFFAOYSA-N 0 0 165.240 1.729 10 0 ADAERN CC(C)OC(=O)NCc1nccn1C 127356618 573814943 /nfs/dbraw/zinc/81/49/43/573814943.db2.gz YPWVTOPXYFAQEI-UHFFFAOYSA-N 0 0 197.238 1.055 10 0 ADAERN C=Cc1ccccc1[C@@H]1CNC(=O)C1 238132562 573814951 /nfs/dbraw/zinc/81/49/51/573814951.db2.gz OXNSSGCEOYBUKL-JTQLQIEISA-N 0 0 187.242 1.933 10 0 ADAERN CC[C@H](C)[C@H](CO)Nc1cnccn1 308744236 573814977 /nfs/dbraw/zinc/81/49/77/573814977.db2.gz QOHQTIRDFOWSOW-IUCAKERBSA-N 0 0 195.266 1.296 10 0 ADAERN CC(C)[C@@H](O)Cc1ccc(O)cc1 87179663 573814990 /nfs/dbraw/zinc/81/49/90/573814990.db2.gz DKXXYMSBXTVWEI-NSHDSACASA-N 0 0 180.247 1.952 10 0 ADAERN COc1ccc(O)c([C@@H](C)CO)c1 258145395 573814991 /nfs/dbraw/zinc/81/49/91/573814991.db2.gz SXBCBTRGJAQWIM-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN C[C@@]1(CCO)CCCC1=O 258435345 573814994 /nfs/dbraw/zinc/81/49/94/573814994.db2.gz DJDROEPRDGEELP-QMMMGPOBSA-N 0 0 142.198 1.128 10 0 ADAERN COC(=O)[C@@H]1CCC(=O)[C@@H](C(C)C)C1 259622388 573815013 /nfs/dbraw/zinc/81/50/13/573815013.db2.gz NQRNLFPLMBSIDX-RKDXNWHRSA-N 0 0 198.262 1.801 10 0 ADAERN Cc1cccc(-c2c(N)n[nH]c2N)c1 238521756 573815018 /nfs/dbraw/zinc/81/50/18/573815018.db2.gz XQZHXERUUQPWGT-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN ONCc1ccc(-c2ncco2)cc1 258140888 573815022 /nfs/dbraw/zinc/81/50/22/573815022.db2.gz SLBJAJNNHLMWMQ-UHFFFAOYSA-N 0 0 190.202 1.820 10 0 ADAERN CCOC(=O)c1ncn(C2CC2)c1C 259622486 573815027 /nfs/dbraw/zinc/81/50/27/573815027.db2.gz NRRBCGDMORXIJA-UHFFFAOYSA-N 0 0 194.234 1.703 10 0 ADAERN C[C@H](O)c1cc2ccc(O)cc2[nH]1 258139323 573815030 /nfs/dbraw/zinc/81/50/30/573815030.db2.gz KRNOKBHPJYGFKD-LURJTMIESA-N 0 0 177.203 1.927 10 0 ADAERN Cc1cc2c(o1)CC[C@@H]1C2=NO[C@@H]1O 223545075 573815037 /nfs/dbraw/zinc/81/50/37/573815037.db2.gz BWJKSMDYWVQCGB-LDWIPMOCSA-N 0 0 193.202 1.203 10 0 ADAERN CO[C@@](C)(CO)Cc1cccc(F)c1 257880095 573815050 /nfs/dbraw/zinc/81/50/50/573815050.db2.gz RVIQMBWORXNREQ-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN CCCC(=O)Nc1cccc(N)n1 100674745 573815054 /nfs/dbraw/zinc/81/50/54/573815054.db2.gz MUFYZRWOHLKXFQ-UHFFFAOYSA-N 0 0 179.223 1.402 10 0 ADAERN C[C@H](CO)c1cccc2c1OCCO2 258140843 573815070 /nfs/dbraw/zinc/81/50/70/573815070.db2.gz SJSYTPOUPQHNSZ-MRVPVSSYSA-N 0 0 194.230 1.554 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])C(CC)CC 41049783 573815088 /nfs/dbraw/zinc/81/50/88/573815088.db2.gz OTVJDEIZHIZMJO-VIFPVBQESA-N 0 0 187.283 1.875 10 0 ADAERN CC[C@H](C)C1(CO)CCOCC1 87176054 573815089 /nfs/dbraw/zinc/81/50/89/573815089.db2.gz KIOFDFPZHVNYNU-VIFPVBQESA-N 0 0 172.268 1.822 10 0 ADAERN CCOC(=O)c1ccn(C(C)C)c1N 257880423 573815090 /nfs/dbraw/zinc/81/50/90/573815090.db2.gz HCYVHLJVWBZQGF-UHFFFAOYSA-N 0 0 196.250 1.828 10 0 ADAERN CCSc1ncc(CC)c(=O)[nH]1 100717618 573815093 /nfs/dbraw/zinc/81/50/93/573815093.db2.gz NYKWWRSASJXARW-UHFFFAOYSA-N 0 0 184.264 1.857 10 0 ADAERN CC[C@@H](O)Cc1cccc(O)c1 87179822 573815099 /nfs/dbraw/zinc/81/50/99/573815099.db2.gz JLCSFOLEJFSQOT-SECBINFHSA-N 0 0 166.220 1.706 10 0 ADAERN CC[C@H](C)C[C@H](NN)c1ccnn1C 131313121 573815106 /nfs/dbraw/zinc/81/51/06/573815106.db2.gz LECRVJXOZUKRAM-IUCAKERBSA-N 0 0 196.298 1.361 10 0 ADAERN Cc1cc([C@H]2CCCC2=O)c[nH]c1=O 238522116 573815113 /nfs/dbraw/zinc/81/51/13/573815113.db2.gz BBRLWWSBMFDCHM-SECBINFHSA-N 0 0 191.230 1.932 10 0 ADAERN Cc1nc(CC[C@@H](C)O)cs1 84274632 573815133 /nfs/dbraw/zinc/81/51/33/573815133.db2.gz FXRNAGNOINETTA-ZCFIWIBFSA-N 0 0 171.265 1.765 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1ccc(O)cc1 87180872 573815150 /nfs/dbraw/zinc/81/51/50/573815150.db2.gz PGXUUNVMLMWEEF-GGZOMVNGSA-N 0 0 192.258 1.952 10 0 ADAERN Cc1cc(=O)c2cc(O)ccc2n1C 238522573 573815167 /nfs/dbraw/zinc/81/51/67/573815167.db2.gz FRTDLYRJQWVUNQ-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN CCCC[C@@H](CC)CS(N)(=O)=O 43455572 573815172 /nfs/dbraw/zinc/81/51/72/573815172.db2.gz OPIWMMDGBATKTL-MRVPVSSYSA-N 0 0 193.312 1.491 10 0 ADAERN Cc1cc2[nH]c3c(c2c(=O)[nH]1)CCC3 238522620 573815206 /nfs/dbraw/zinc/81/52/06/573815206.db2.gz NMOCIOPXPCYVAS-UHFFFAOYSA-N 0 0 188.230 1.653 10 0 ADAERN Cc1cc(C=O)c2c(c1O)C(=O)OC2 238521879 573815213 /nfs/dbraw/zinc/81/52/13/573815213.db2.gz AXMDLWQZBWTEBO-UHFFFAOYSA-N 0 0 192.170 1.184 10 0 ADAERN C[C@H](O)Cc1c(F)cccc1F 84286723 573815222 /nfs/dbraw/zinc/81/52/22/573815222.db2.gz BOWUBPBZXVDFSQ-LURJTMIESA-N 0 0 172.174 1.888 10 0 ADAERN Cc1cc2oc(C)cc(=O)c2c(=O)[nH]1 238523222 573818672 /nfs/dbraw/zinc/81/86/72/573818672.db2.gz IUNDNMFBSJGKSU-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN CC(C)[C@@H](CO)NCC(F)(F)F 41049619 573815242 /nfs/dbraw/zinc/81/52/42/573815242.db2.gz AJFRCRRCWQGNIF-ZCFIWIBFSA-N 0 0 185.189 1.155 10 0 ADAERN CC(=O)C[C@@]1(C)OC=CCCO1 238133959 573815243 /nfs/dbraw/zinc/81/52/43/573815243.db2.gz NFPAHBKWQVKVEF-VIFPVBQESA-N 0 0 170.208 1.632 10 0 ADAERN CC(C)(Cl)[C@H]1CCC1=O 238134358 573815251 /nfs/dbraw/zinc/81/52/51/573815251.db2.gz UQXLHKRXFJNEEM-YFKPBYRVSA-N 0 0 146.617 1.983 10 0 ADAERN C[C@@H]1CCC[C@H]([NH2+]C/C=C\C(=O)[O-])C1 308444027 573815267 /nfs/dbraw/zinc/81/52/67/573815267.db2.gz MCWGCBZGUUPMKX-WXYRRYSDSA-N 0 0 197.278 1.796 10 0 ADAERN CC(C)C[C@](C[NH3+])(C(=O)[O-])[C@@H](C)F 257880227 573815285 /nfs/dbraw/zinc/81/52/85/573815285.db2.gz VHUVBKUWRCGCTO-VXNVDRBHSA-N 0 0 191.246 1.420 10 0 ADAERN Cc1cc(=O)c2ccccc2n1N 238522939 573815286 /nfs/dbraw/zinc/81/52/86/573815286.db2.gz OUIXPGRCRRXMPI-UHFFFAOYSA-N 0 0 174.203 1.024 10 0 ADAERN CC(=O)C[C@@]1(O)C=C(C)CCC1 238134230 573815313 /nfs/dbraw/zinc/81/53/13/573815313.db2.gz SDPCWVMGHMLZGM-JTQLQIEISA-N 0 0 168.236 1.827 10 0 ADAERN CC(=O)Sc1ccc(N)cc1 238133378 573815320 /nfs/dbraw/zinc/81/53/20/573815320.db2.gz DGEHUBXFZGYFBJ-UHFFFAOYSA-N 0 0 167.233 1.907 10 0 ADAERN CC(C)(CO)[C@@H]1C=CCC1 238124368 573815353 /nfs/dbraw/zinc/81/53/53/573815353.db2.gz GJPBNWFVFIRPPT-MRVPVSSYSA-N 0 0 140.226 1.971 10 0 ADAERN CC(C)(C)n1nc(N)c2c1COC2 257881116 573815354 /nfs/dbraw/zinc/81/53/54/573815354.db2.gz LYNVNPAEDLZWLX-UHFFFAOYSA-N 0 0 181.239 1.251 10 0 ADAERN CC(C)CC(=O)[C@@H]1CCC(=O)C1 238124531 573815359 /nfs/dbraw/zinc/81/53/59/573815359.db2.gz OUXGAEJGIIXARB-MRVPVSSYSA-N 0 0 168.236 1.971 10 0 ADAERN C=Cc1cccc([C@@H]2CNC(=O)C2)c1 238137458 573818775 /nfs/dbraw/zinc/81/87/75/573818775.db2.gz BTYYAVIGLNNTRL-NSHDSACASA-N 0 0 187.242 1.933 10 0 ADAERN Cc1cc([C@H]2CCCC2=O)cnc1N 238522096 573815395 /nfs/dbraw/zinc/81/53/95/573815395.db2.gz DOWAEBGZYUPAEM-SECBINFHSA-N 0 0 190.246 1.809 10 0 ADAERN CCC(CC)[C@@H](C(=O)[O-])[NH+]1CCCC1 41049883 573818776 /nfs/dbraw/zinc/81/87/76/573818776.db2.gz NRZRQNBQRASMDL-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN Cc1cc2nncn2cc1F 238521995 573815410 /nfs/dbraw/zinc/81/54/10/573815410.db2.gz NCHAMAZSICITCS-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN COc1ccc(C[C@@H](C)O)cn1 84287925 573815424 /nfs/dbraw/zinc/81/54/24/573815424.db2.gz CMJMGYSYJFNVKH-SSDOTTSWSA-N 0 0 167.208 1.014 10 0 ADAERN CCCN[C@H](C(=O)OCC)C(C)C 41049523 573815448 /nfs/dbraw/zinc/81/54/48/573815448.db2.gz KKVDHNXZJUHLPE-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN Cc1ccc(NO)c(O)c1NO 238521881 573815449 /nfs/dbraw/zinc/81/54/49/573815449.db2.gz GMRXKFPYZAKYNV-UHFFFAOYSA-N 0 0 170.168 1.303 10 0 ADAERN CCSCc1cnco1 258139472 573815450 /nfs/dbraw/zinc/81/54/50/573815450.db2.gz KTLGSILHHVGMFI-UHFFFAOYSA-N 0 0 143.211 1.928 10 0 ADAERN CCc1nn(C)c(C[NH2+]C)c1Cl 84280738 573815452 /nfs/dbraw/zinc/81/54/52/573815452.db2.gz HTMNIEVNMNVPSK-UHFFFAOYSA-N 0 0 187.674 1.355 10 0 ADAERN CC(=O)CCCCn1nc(C)nc1C 41062867 573815471 /nfs/dbraw/zinc/81/54/71/573815471.db2.gz ZYWNPWDHDCMQGT-UHFFFAOYSA-N 0 0 195.266 1.654 10 0 ADAERN CC(=O)C[C@](C)(O)C1CC1 238133186 573815490 /nfs/dbraw/zinc/81/54/90/573815490.db2.gz RUQLEZQOLDNCDS-QMMMGPOBSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)OC(C)(C)C1=CCC[C@@H]1O 238131679 573815507 /nfs/dbraw/zinc/81/55/07/573815507.db2.gz IDFGQNZPSJURSL-VIFPVBQESA-N 0 0 184.235 1.409 10 0 ADAERN CCc1nn(C)c(CCO)c1Cl 84295444 573815515 /nfs/dbraw/zinc/81/55/15/573815515.db2.gz SAARSULYLDDTDM-UHFFFAOYSA-N 0 0 188.658 1.171 10 0 ADAERN O=C1CCCON1c1ccccc1O 257880158 573815518 /nfs/dbraw/zinc/81/55/18/573815518.db2.gz VGSQVQQOBQIDGJ-UHFFFAOYSA-N 0 0 193.202 1.451 10 0 ADAERN Cc1cc([C@@H]([NH3+])CC(C)C)nn1C 642820442 573815527 /nfs/dbraw/zinc/81/55/27/573815527.db2.gz CVPMDRLSAKIIQM-VIFPVBQESA-N 0 0 181.283 1.196 10 0 ADAERN COc1ccc(SN)cc1C 259198433 573815543 /nfs/dbraw/zinc/81/55/43/573815543.db2.gz KICCGZVHQLIKNK-UHFFFAOYSA-N 0 0 169.249 1.969 10 0 ADAERN CC1(C)CC[NH+]([C@@H]2C[C@@H]2C(=O)[O-])CC1 259200813 573815545 /nfs/dbraw/zinc/81/55/45/573815545.db2.gz IWNSMTOMWXCQQX-DTWKUNHWSA-N 0 0 197.278 1.582 10 0 ADAERN CC1(C)O[C@@H](C(C)(C)Cl)O[C@@H]1O 238134581 573815563 /nfs/dbraw/zinc/81/55/63/573815563.db2.gz NVEIPELAJJEHFE-WDSKDSINSA-N 0 0 194.658 1.474 10 0 ADAERN C[C@@H](O)c1cc2ccc(O)cc2[nH]1 258139326 573815573 /nfs/dbraw/zinc/81/55/73/573815573.db2.gz KRNOKBHPJYGFKD-ZCFIWIBFSA-N 0 0 177.203 1.927 10 0 ADAERN CCCCC[NH2+]C1CC(C(=O)[O-])C1 259200630 573818781 /nfs/dbraw/zinc/81/87/81/573818781.db2.gz IUZUTFHEUFULGE-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN CO[C@H](CO)c1ccccc1C 258433830 573815600 /nfs/dbraw/zinc/81/56/00/573815600.db2.gz DGPMPWOCHQCFQQ-SNVBAGLBSA-N 0 0 166.220 1.675 10 0 ADAERN Nc1cc(C[C@@H]2CCCCO2)on1 258434592 573815618 /nfs/dbraw/zinc/81/56/18/573815618.db2.gz FWZBETZXBKEDKK-ZETCQYMHSA-N 0 0 182.223 1.368 10 0 ADAERN CC(=O)S[C@H]1CCCC(=O)C1 238131843 573815622 /nfs/dbraw/zinc/81/56/22/573815622.db2.gz BTPCHZZJTIKTPR-QMMMGPOBSA-N 0 0 172.249 1.778 10 0 ADAERN OCCCc1cccc2c1NCCC2 257880428 573815730 /nfs/dbraw/zinc/81/57/30/573815730.db2.gz VKBOKORBRDMITG-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN C[C@@H](O)Cc1nc2ccccc2o1 84286431 573815623 /nfs/dbraw/zinc/81/56/23/573815623.db2.gz XSJNIWVBITWVDM-SSDOTTSWSA-N 0 0 177.203 1.751 10 0 ADAERN Cc1ccc(O)c(C(=O)C(C)(C)O)c1 238522407 573815634 /nfs/dbraw/zinc/81/56/34/573815634.db2.gz PVXQKOHPPDVJLW-UHFFFAOYSA-N 0 0 194.230 1.654 10 0 ADAERN CC(C)(C)C(O)=CC=O 238133170 573815657 /nfs/dbraw/zinc/81/56/57/573815657.db2.gz ZETSELGANPVPNH-UHFFFAOYSA-N 0 0 127.163 1.005 10 0 ADAERN Cc1ccc2c(N)n[nH]c2c1C 238522347 573815668 /nfs/dbraw/zinc/81/56/68/573815668.db2.gz CKPRHQNFHCDKBQ-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN CC(C)(Cl)C1=COC(=O)C1 238132023 573815683 /nfs/dbraw/zinc/81/56/83/573815683.db2.gz SEMADEGOHZTUNJ-UHFFFAOYSA-N 0 0 160.600 1.835 10 0 ADAERN Cc1cc(=O)c2ccccc2[nH]c1=O 238522895 573815690 /nfs/dbraw/zinc/81/56/90/573815690.db2.gz OMCHKMHAFWYCRN-UHFFFAOYSA-N 0 0 187.198 1.197 10 0 ADAERN OCCCc1ccc(F)c(O)c1F 258140909 573815692 /nfs/dbraw/zinc/81/56/92/573815692.db2.gz SLROAHRXGDQPBC-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CCCNC1=O 238132340 573815701 /nfs/dbraw/zinc/81/57/01/573815701.db2.gz JKAKKCPKWPDWQU-SSDOTTSWSA-N 0 0 183.251 1.128 10 0 ADAERN Cc1cccc(CONC(N)=O)c1 238521755 573815705 /nfs/dbraw/zinc/81/57/05/573815705.db2.gz VUKKWHBWCMRIES-UHFFFAOYSA-N 0 0 180.207 1.095 10 0 ADAERN CC1(C)CC[NH+]([C@H]2C[C@H]2C(=O)[O-])CC1 259200805 573815716 /nfs/dbraw/zinc/81/57/16/573815716.db2.gz IWNSMTOMWXCQQX-BDAKNGLRSA-N 0 0 197.278 1.582 10 0 ADAERN CC[C@H](COC)N[C@H](C)c1ccon1 308744635 573815738 /nfs/dbraw/zinc/81/57/38/573815738.db2.gz QTMCNBCHVABVDS-RKDXNWHRSA-N 0 0 198.266 1.750 10 0 ADAERN CC(=O)C(F)(F)C1CCOCC1 257881338 573815751 /nfs/dbraw/zinc/81/57/51/573815751.db2.gz MBFLCJVAAFMDJU-UHFFFAOYSA-N 0 0 178.178 1.637 10 0 ADAERN C[C@@H](O)Cc1c(F)cccc1F 84286724 573815767 /nfs/dbraw/zinc/81/57/67/573815767.db2.gz BOWUBPBZXVDFSQ-ZCFIWIBFSA-N 0 0 172.174 1.888 10 0 ADAERN CC[C@H]1CN(CCC(C)=O)C(=O)N1C 259199822 573815770 /nfs/dbraw/zinc/81/57/70/573815770.db2.gz AZWGDQFLERSGER-VIFPVBQESA-N 0 0 198.266 1.112 10 0 ADAERN CCCC1=NC=C(Cl)S1(=O)=O 258434884 573815788 /nfs/dbraw/zinc/81/57/88/573815788.db2.gz DSQRPKXEGSPWEA-UHFFFAOYSA-N 0 0 193.655 1.651 10 0 ADAERN Cc1cc2c(o1)CC[C@H]1C2=NO[C@H]1O 223545240 573815791 /nfs/dbraw/zinc/81/57/91/573815791.db2.gz BWJKSMDYWVQCGB-QUBYGPBYSA-N 0 0 193.202 1.203 10 0 ADAERN O=C1CNc2c(cnc3ccccc23)N1 162161724 573815794 /nfs/dbraw/zinc/81/57/94/573815794.db2.gz HNSYVJMCCFFBTA-UHFFFAOYSA-N 0 0 199.213 1.599 10 0 ADAERN CCCC[C@]1(C)NCC(=O)N1C1CC1 308743792 573815797 /nfs/dbraw/zinc/81/57/97/573815797.db2.gz QEEYGXYWNQOUBA-LLVKDONJSA-N 0 0 196.294 1.487 10 0 ADAERN OCCc1nc2c(F)cccc2s1 84284409 573815817 /nfs/dbraw/zinc/81/58/17/573815817.db2.gz YAUPGFXFFVJQLB-UHFFFAOYSA-N 0 0 197.234 1.970 10 0 ADAERN Cc1cnc(CO)c(O)c1C(F)F 238521805 573815832 /nfs/dbraw/zinc/81/58/32/573815832.db2.gz WFCRMMRGNPEKIT-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(=S)N[C@H](CO)CC(C)C 238132313 573815848 /nfs/dbraw/zinc/81/58/48/573815848.db2.gz GYESVTPEDTWJGY-QMMMGPOBSA-N 0 0 175.297 1.330 10 0 ADAERN Cc1nn(C)c(C[C@@H](C)O)c1Cl 84272756 573815849 /nfs/dbraw/zinc/81/58/49/573815849.db2.gz SUYZDQZRQMPJJI-RXMQYKEDSA-N 0 0 188.658 1.305 10 0 ADAERN CC(=O)N[C@]1(C)C=CCCC1 238133896 573815863 /nfs/dbraw/zinc/81/58/63/573815863.db2.gz JUVWDPIVWMDWDM-SECBINFHSA-N 0 0 153.225 1.621 10 0 ADAERN CCC[C@@H](C)COCCCO 233272498 573815866 /nfs/dbraw/zinc/81/58/66/573815866.db2.gz INVHMTHNNDHLQO-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN CCC(CC)[C@H]([NH2+]CC1CC1)C(=O)[O-] 41049835 573815909 /nfs/dbraw/zinc/81/59/09/573815909.db2.gz NHQFHDBOPBXZOR-JTQLQIEISA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)(C)[C@@H](CO)CC1OCCO1 238132366 573815926 /nfs/dbraw/zinc/81/59/26/573815926.db2.gz KWLVTBOKQYMJSX-MRVPVSSYSA-N 0 0 188.267 1.404 10 0 ADAERN Cc1ccc([C@@]2(C)CNC(=O)O2)o1 258140186 573815927 /nfs/dbraw/zinc/81/59/27/573815927.db2.gz DAWQYYKBOLITPW-SECBINFHSA-N 0 0 181.191 1.543 10 0 ADAERN Cc1c(-c2cc(N)ccn2)cnn1C 122752172 573815935 /nfs/dbraw/zinc/81/59/35/573815935.db2.gz MYFMLBDXZQVKGC-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Clc1nccc2cnncc12 238522824 573815941 /nfs/dbraw/zinc/81/59/41/573815941.db2.gz WGSNDXITVNFVNO-UHFFFAOYSA-N 0 0 165.583 1.678 10 0 ADAERN CO[C@@](C)(CO)C1CCCCC1 257880047 573815953 /nfs/dbraw/zinc/81/59/53/573815953.db2.gz LWCBMFRTTKLJEU-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CC(=O)[C@](C)(O)C=C=C(C)C 238132525 573815954 /nfs/dbraw/zinc/81/59/54/573815954.db2.gz DFMTTXOSJMPAOC-SECBINFHSA-N 0 0 154.209 1.448 10 0 ADAERN O=CC1=NO[C@@H](c2ccc(F)cc2)C1 257885334 573815990 /nfs/dbraw/zinc/81/59/90/573815990.db2.gz WDYBRISBKNVNSD-SNVBAGLBSA-N 0 0 193.177 1.842 10 0 ADAERN CC(C)(O)c1ccc(CO)c(O)c1 258141002 573815991 /nfs/dbraw/zinc/81/59/91/573815991.db2.gz SONCSIAOBTZYMD-UHFFFAOYSA-N 0 0 182.219 1.112 10 0 ADAERN Cc1nc(CCCO)cs1 84275995 573815993 /nfs/dbraw/zinc/81/59/93/573815993.db2.gz ZQLPQLGERUJKPI-UHFFFAOYSA-N 0 0 157.238 1.376 10 0 ADAERN CC(=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2 238124334 573815996 /nfs/dbraw/zinc/81/59/96/573815996.db2.gz TUSSGMRXHBGVIN-LPEHRKFASA-N 0 0 168.236 1.517 10 0 ADAERN CCc1c(CON)ccc2c1OCO2 258145376 573815998 /nfs/dbraw/zinc/81/59/98/573815998.db2.gz SWLCVQPLGAOYTI-UHFFFAOYSA-N 0 0 195.218 1.368 10 0 ADAERN Cc1ccc(-c2cc(CO)[nH]n2)o1 258434616 573816000 /nfs/dbraw/zinc/81/60/00/573816000.db2.gz FXXXKBPLDPNJEF-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN CCC(CC)[C@H]([NH2+]C(C)C)C(=O)[O-] 41049785 573816002 /nfs/dbraw/zinc/81/60/02/573816002.db2.gz UGJFEEZDHWGJQC-VIFPVBQESA-N 0 0 187.283 1.874 10 0 ADAERN CCn1nc2c(c1C=O)CSCC2 257883542 573818798 /nfs/dbraw/zinc/81/87/98/573818798.db2.gz VXTJGGHZTCARTC-UHFFFAOYSA-N 0 0 196.275 1.505 10 0 ADAERN COc1cc(F)cc(C[C@H](C)O)c1 258140982 573816007 /nfs/dbraw/zinc/81/60/07/573816007.db2.gz SNXNVXXFGOKVBB-ZETCQYMHSA-N 0 0 184.210 1.758 10 0 ADAERN CCCC[C@@]1(CO)CCO[C@H]1C 127368722 573816009 /nfs/dbraw/zinc/81/60/09/573816009.db2.gz CMMLEPUWZLYAFO-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CNc1ncc(C2CCOCC2)cn1 259199985 573816017 /nfs/dbraw/zinc/81/60/17/573816017.db2.gz BCQHSLXXRMSMSL-UHFFFAOYSA-N 0 0 193.250 1.412 10 0 ADAERN CC(=O)Sc1cc(C)nc(N)n1 238133022 573816018 /nfs/dbraw/zinc/81/60/18/573816018.db2.gz OZJDIFITPLBGFS-UHFFFAOYSA-N 0 0 183.236 1.006 10 0 ADAERN CC(=O)N[C@@]1(C)CCC[C@@H]1C(C)=O 238134009 573816024 /nfs/dbraw/zinc/81/60/24/573816024.db2.gz RTFNBGMSMIGLSJ-ZJUUUORDSA-N 0 0 183.251 1.270 10 0 ADAERN CNc1ncc(Br)o1 257881270 573816039 /nfs/dbraw/zinc/81/60/39/573816039.db2.gz KEUOYTDRZSWEPG-UHFFFAOYSA-N 0 0 177.001 1.479 10 0 ADAERN O=Cc1nn(C2CC2)c2c1CCC2 257881150 573816048 /nfs/dbraw/zinc/81/60/48/573816048.db2.gz LZHJRBXJXUDEGB-UHFFFAOYSA-N 0 0 176.219 1.519 10 0 ADAERN COCc1ccc(CNO)cc1O 258140995 573816055 /nfs/dbraw/zinc/81/60/55/573816055.db2.gz SOKGZAIMMNFVNR-UHFFFAOYSA-N 0 0 183.207 1.017 10 0 ADAERN Cc1cc(F)c(O)c(CC2(O)CC2)c1 258145389 573816066 /nfs/dbraw/zinc/81/60/66/573816066.db2.gz SWVZASPIWZBKDG-UHFFFAOYSA-N 0 0 196.221 1.907 10 0 ADAERN CC(C)C[C@H](C)[C@@H](O)c1cnn(C)n1 308447247 573818804 /nfs/dbraw/zinc/81/88/04/573818804.db2.gz BAHBNOUSLODQBN-WCBMZHEXSA-N 0 0 197.282 1.531 10 0 ADAERN Nc1onc(Cl)c1[C@H]1CCCO1 257880241 573816067 /nfs/dbraw/zinc/81/60/67/573816067.db2.gz VHYWMGIXPSBUIC-SCSAIBSYSA-N 0 0 188.614 1.762 10 0 ADAERN COC(=O)[C@@H]1CCC(=O)[C@H](C(C)C)C1 259622377 573816070 /nfs/dbraw/zinc/81/60/70/573816070.db2.gz NQRNLFPLMBSIDX-BDAKNGLRSA-N 0 0 198.262 1.801 10 0 ADAERN CC(C)C[C@@](C[NH3+])(C(=O)[O-])[C@@H](C)F 257880219 573816073 /nfs/dbraw/zinc/81/60/73/573816073.db2.gz VHUVBKUWRCGCTO-APPZFPTMSA-N 0 0 191.246 1.420 10 0 ADAERN CC(C)(C)[C@@H](N)C(=O)c1ccccn1 238133917 573816074 /nfs/dbraw/zinc/81/60/74/573816074.db2.gz JIDWDNUKOBKSHK-JTQLQIEISA-N 0 0 192.262 1.638 10 0 ADAERN CC(=O)OC(C)(C)C1=CCC[C@H]1O 238131705 573816099 /nfs/dbraw/zinc/81/60/99/573816099.db2.gz IDFGQNZPSJURSL-SECBINFHSA-N 0 0 184.235 1.409 10 0 ADAERN C[C@]1(C2CCC2)COC(=O)C1 258435322 573816114 /nfs/dbraw/zinc/81/61/14/573816114.db2.gz DISKHFDYEYZEHT-SECBINFHSA-N 0 0 154.209 1.740 10 0 ADAERN CC(C)(CO)[C@H]1CC[C@H](O)C1 238124492 573816132 /nfs/dbraw/zinc/81/61/32/573816132.db2.gz CEGDSWRJDBUUMJ-YUMQZZPRSA-N 0 0 158.241 1.166 10 0 ADAERN Cc1cc(C=O)c2cccnc2n1 238522092 573816138 /nfs/dbraw/zinc/81/61/38/573816138.db2.gz INRAMWBACSYKMC-UHFFFAOYSA-N 0 0 172.187 1.751 10 0 ADAERN CC(C)(C)SC(=O)CCO 238124389 573816140 /nfs/dbraw/zinc/81/61/40/573816140.db2.gz ZSSFPFXPEAXPAO-UHFFFAOYSA-N 0 0 162.254 1.427 10 0 ADAERN C[NH2+][C@H](c1ccccc1OC)[C@@H](C)O 259198321 573816154 /nfs/dbraw/zinc/81/61/54/573816154.db2.gz IBJSIIUUNFVENA-KCJUWKMLSA-N 0 0 195.262 1.337 10 0 ADAERN CC(C)(C)c1snc(N)c1C(N)=O 238134354 573816162 /nfs/dbraw/zinc/81/61/62/573816162.db2.gz NTVSHKCNMCMSCJ-UHFFFAOYSA-N 0 0 199.279 1.122 10 0 ADAERN Fc1cccc([C@@H]2CNOC2)c1 258433788 573816170 /nfs/dbraw/zinc/81/61/70/573816170.db2.gz DEXCZAZPRKLCRZ-MRVPVSSYSA-N 0 0 167.183 1.444 10 0 ADAERN OCc1ccc2cccnc2c1O 100675276 573816174 /nfs/dbraw/zinc/81/61/74/573816174.db2.gz RWEWFLFQHGGNJD-UHFFFAOYSA-N 0 0 175.187 1.433 10 0 ADAERN CC[C@H](C)C[C@H](C)N1CN[C@H](C)C1=O 127355196 573816195 /nfs/dbraw/zinc/81/61/95/573816195.db2.gz WQZPUITVQQFFTB-LPEHRKFASA-N 0 0 198.310 1.589 10 0 ADAERN CCn1nc(C)c(Cl)c1CO 84278965 573816205 /nfs/dbraw/zinc/81/62/05/573816205.db2.gz LCQKAHUHHNKEJT-UHFFFAOYSA-N 0 0 174.631 1.357 10 0 ADAERN Oc1ccc(C(F)(F)[C@H]2CCN2)cc1 257880268 573816206 /nfs/dbraw/zinc/81/62/06/573816206.db2.gz RYNVSTOYVOYWJG-SECBINFHSA-N 0 0 199.200 1.846 10 0 ADAERN COc1cc(C)cc(CNO)c1F 258140989 573816221 /nfs/dbraw/zinc/81/62/21/573816221.db2.gz SODNSAYYZVADJV-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN Cc1ccc([C@]2(C)CNC(=O)O2)o1 258140209 573816228 /nfs/dbraw/zinc/81/62/28/573816228.db2.gz DAWQYYKBOLITPW-VIFPVBQESA-N 0 0 181.191 1.543 10 0 ADAERN Cc1ccc(O)c(C(C)(C)CO)c1 238522719 573816232 /nfs/dbraw/zinc/81/62/32/573816232.db2.gz QOXFZRDSMZTOGW-UHFFFAOYSA-N 0 0 180.247 1.971 10 0 ADAERN OCCc1cncnc1C(F)(F)F 84285156 573816246 /nfs/dbraw/zinc/81/62/46/573816246.db2.gz XATWOJPJSOJIDA-UHFFFAOYSA-N 0 0 192.140 1.030 10 0 ADAERN OCC[C@H]1CSC[C@H]1F 258433771 573816253 /nfs/dbraw/zinc/81/62/53/573816253.db2.gz DEKRSKHXCLFQJW-NTSWFWBYSA-N 0 0 150.218 1.070 10 0 ADAERN CO[C@@H]([NH3+])c1c[nH]c2ccccc12 259198635 573816257 /nfs/dbraw/zinc/81/62/57/573816257.db2.gz DHRMHJYSQCWEHR-SNVBAGLBSA-N 0 0 176.219 1.772 10 0 ADAERN CC(C)(CO)[C@H]1CC[C@](C)(O)C1 238124525 573816258 /nfs/dbraw/zinc/81/62/58/573816258.db2.gz JAZZJVQZAABLNX-WPRPVWTQSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1cc2c(cc1C[C@H](C)O)OCO2 258140829 573816270 /nfs/dbraw/zinc/81/62/70/573816270.db2.gz SIXJJCRZFJPCJA-QMMMGPOBSA-N 0 0 194.230 1.647 10 0 ADAERN COc1cc(C)c(CNO)c(OC)c1 258140967 573816279 /nfs/dbraw/zinc/81/62/79/573816279.db2.gz SNGFSZYFNHUSAF-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN C[C@H]1CC[C@@H](Cn2cnc(C=O)c2)O1 235653744 573816280 /nfs/dbraw/zinc/81/62/80/573816280.db2.gz DINQORLGLQVWIL-WPRPVWTQSA-N 0 0 194.234 1.263 10 0 ADAERN CCC(CC)[C@@H]([NH2+]C(C)C)C(=O)[O-] 41049786 573816297 /nfs/dbraw/zinc/81/62/97/573816297.db2.gz UGJFEEZDHWGJQC-SECBINFHSA-N 0 0 187.283 1.874 10 0 ADAERN CONCc1cc(C)cc(OC)c1F 258141527 573816310 /nfs/dbraw/zinc/81/63/10/573816310.db2.gz NWHRIHRYUSPIHD-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN N=C(N)c1cc2cccc(O)c2o1 84296534 573816316 /nfs/dbraw/zinc/81/63/16/573816316.db2.gz SBZVHJBFNOOWOB-UHFFFAOYSA-N 0 0 176.175 1.422 10 0 ADAERN CO[C@H](CO)Cc1ccccc1F 257881237 573816352 /nfs/dbraw/zinc/81/63/52/573816352.db2.gz MADBKCWBWJZSHR-VIFPVBQESA-N 0 0 184.210 1.376 10 0 ADAERN Cc1ncsc1[C@@H](C)NC1COC1 87194420 573816358 /nfs/dbraw/zinc/81/63/58/573816358.db2.gz KZOXEDJSDHYANW-SSDOTTSWSA-N 0 0 198.291 1.501 10 0 ADAERN CCc1cnc2cc(C=O)n(C)c2c1 257880474 573816360 /nfs/dbraw/zinc/81/63/60/573816360.db2.gz VKNMMULWMLEKQR-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN CC1(C)CC[NH+]([C@H]2C[C@@H]2C(=O)[O-])CC1 259200819 573816368 /nfs/dbraw/zinc/81/63/68/573816368.db2.gz IWNSMTOMWXCQQX-IUCAKERBSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)(CO)Cc1ccc(O)cc1 87184829 573816374 /nfs/dbraw/zinc/81/63/74/573816374.db2.gz XBNCRAHKGWOQFD-UHFFFAOYSA-N 0 0 180.247 1.953 10 0 ADAERN CC(C)=C1C[C@H]1CO 238124375 573816402 /nfs/dbraw/zinc/81/64/02/573816402.db2.gz XWSFTGCIKYEHOR-LURJTMIESA-N 0 0 112.172 1.335 10 0 ADAERN CC(C)[C@H](CO)NCC(F)(F)F 41049620 573816403 /nfs/dbraw/zinc/81/64/03/573816403.db2.gz AJFRCRRCWQGNIF-LURJTMIESA-N 0 0 185.189 1.155 10 0 ADAERN CC(C)[C@@]1(CO)C[C@H]1C 258933821 573816411 /nfs/dbraw/zinc/81/64/11/573816411.db2.gz BELVXPXKUVCQME-SFYZADRCSA-N 0 0 128.215 1.661 10 0 ADAERN CC(C)(Cl)[C@@H]1CCC1=O 238133395 573816412 /nfs/dbraw/zinc/81/64/12/573816412.db2.gz UQXLHKRXFJNEEM-RXMQYKEDSA-N 0 0 146.617 1.983 10 0 ADAERN COCCCc1nc2ccccn2n1 257880416 573816457 /nfs/dbraw/zinc/81/64/57/573816457.db2.gz FFRUVICHSTYQDP-UHFFFAOYSA-N 0 0 191.234 1.308 10 0 ADAERN Cc1cc(C)c(C(=O)[O-])cc1CC[NH3+] 258145372 573816461 /nfs/dbraw/zinc/81/64/61/573816461.db2.gz SWHOUVQDZLRGJU-UHFFFAOYSA-N 0 0 193.246 1.503 10 0 ADAERN CC(C)(Cl)[C@H](O)P(C)(C)=O 238134182 573816463 /nfs/dbraw/zinc/81/64/63/573816463.db2.gz AVLSUMRURVIXHZ-RXMQYKEDSA-N 0 0 184.603 1.945 10 0 ADAERN Cc1c[nH]c2cc(=O)ccn12 258433743 573816464 /nfs/dbraw/zinc/81/64/64/573816464.db2.gz DDCFTGFMJLALLA-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN CC[C@@H](C)CNC1(C(=O)OC)CCC1 308744626 573816473 /nfs/dbraw/zinc/81/64/73/573816473.db2.gz QTKZAELYOFZJSK-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H](O)c1coc([C@H]2CCSC2)n1 258139532 573816518 /nfs/dbraw/zinc/81/65/18/573816518.db2.gz PTGRTVCWFRQSST-BQBZGAKWSA-N 0 0 199.275 1.948 10 0 ADAERN CC(=O)C[C@]1(C)CC[C@]1(C)O 238133794 573816524 /nfs/dbraw/zinc/81/65/24/573816524.db2.gz YCVTYXLAQWRPFN-IUCAKERBSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H](O)c1coc([C@H]2CCSC2)n1 258139542 573816529 /nfs/dbraw/zinc/81/65/29/573816529.db2.gz PTGRTVCWFRQSST-RQJHMYQMSA-N 0 0 199.275 1.948 10 0 ADAERN Cc1cc(=O)c2ccnc(C)c2[nH]1 238522988 573816534 /nfs/dbraw/zinc/81/65/34/573816534.db2.gz FFCKIOPUDHGQIR-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN CONCc1c(Cl)c(C)nn1C 84270864 573816543 /nfs/dbraw/zinc/81/65/43/573816543.db2.gz BYCDWRYOBVZFBZ-UHFFFAOYSA-N 0 0 189.646 1.033 10 0 ADAERN CC(C)=C=C/C=C/CO 238132952 573816549 /nfs/dbraw/zinc/81/65/49/573816549.db2.gz TVRWHCVZIQUEJQ-HWKANZROSA-N 0 0 124.183 1.656 10 0 ADAERN CCC(CC)[C@H](NC1CC1)C(=O)OC 41049805 573816577 /nfs/dbraw/zinc/81/65/77/573816577.db2.gz HHEBRTZGJVSUGI-JTQLQIEISA-N 0 0 199.294 1.716 10 0 ADAERN Cc1cnc(CO)c2occc12 238522055 573816580 /nfs/dbraw/zinc/81/65/80/573816580.db2.gz IHVKSGLIKJVIBC-UHFFFAOYSA-N 0 0 163.176 1.629 10 0 ADAERN C[C@@H](CO)Cc1cccc(O)c1 87184876 573816589 /nfs/dbraw/zinc/81/65/89/573816589.db2.gz VQTUQFUIOLSIEN-MRVPVSSYSA-N 0 0 166.220 1.563 10 0 ADAERN Fc1cccc(CNC2COC2)c1F 87194777 573816596 /nfs/dbraw/zinc/81/65/96/573816596.db2.gz VUMBEXIXLPXNEV-UHFFFAOYSA-N 0 0 199.200 1.453 10 0 ADAERN CC(=O)S[C@H](O)c1ccccc1 238131781 573816644 /nfs/dbraw/zinc/81/66/44/573816644.db2.gz KUMORMPKFXCZPK-VIFPVBQESA-N 0 0 182.244 1.957 10 0 ADAERN CC(=O)C[C@]1(C)CC[C@@]1(C)O 238133768 573816651 /nfs/dbraw/zinc/81/66/51/573816651.db2.gz YCVTYXLAQWRPFN-DTWKUNHWSA-N 0 0 156.225 1.517 10 0 ADAERN C=C(Cl)c1cnc(N)nc1Cl 225002158 573816653 /nfs/dbraw/zinc/81/66/53/573816653.db2.gz SDGICGVOYNDVSR-UHFFFAOYSA-N 0 0 190.033 1.922 10 0 ADAERN CCc1nn(C)c(C[NH3+])c1Cl 84280763 573816657 /nfs/dbraw/zinc/81/66/57/573816657.db2.gz HOFOLDKIDCQQNG-UHFFFAOYSA-N 0 0 173.647 1.095 10 0 ADAERN CCCN1COc2ccc(O)cc2C1 143482131 573816658 /nfs/dbraw/zinc/81/66/58/573816658.db2.gz VRCQBTLRLDPVKX-UHFFFAOYSA-N 0 0 193.246 1.954 10 0 ADAERN C=Cc1cc(C(C)=O)n[nH]1 238132202 573816662 /nfs/dbraw/zinc/81/66/62/573816662.db2.gz NHWNCUOOHVRPCC-UHFFFAOYSA-N 0 0 136.154 1.255 10 0 ADAERN OCC1(Cc2cccc(O)c2)CC1 87184847 573816663 /nfs/dbraw/zinc/81/66/63/573816663.db2.gz RFYLKLQZLTVIJE-UHFFFAOYSA-N 0 0 178.231 1.707 10 0 ADAERN CC[C@@]1(c2ccccc2)O[C@@H]1C(N)=O 100688056 573816665 /nfs/dbraw/zinc/81/66/65/573816665.db2.gz FDCNVPBLEQIPJP-KOLCDFICSA-N 0 0 191.230 1.176 10 0 ADAERN Cc1nn(C)c(C[C@H](C)O)c1Cl 84272757 573816741 /nfs/dbraw/zinc/81/67/41/573816741.db2.gz SUYZDQZRQMPJJI-YFKPBYRVSA-N 0 0 188.658 1.305 10 0 ADAERN O=C1C[C@@H](c2ccc(Cl)o2)CN1 238521943 573816742 /nfs/dbraw/zinc/81/67/42/573816742.db2.gz LWDWEJFZOLECNL-RXMQYKEDSA-N 0 0 185.610 1.537 10 0 ADAERN CC(C)[C@]1(CO)C[C@@H]1C 258933818 573816748 /nfs/dbraw/zinc/81/67/48/573816748.db2.gz BELVXPXKUVCQME-JGVFFNPUSA-N 0 0 128.215 1.661 10 0 ADAERN CCc1noc(CC(C)(F)F)n1 306442778 573816755 /nfs/dbraw/zinc/81/67/55/573816755.db2.gz LNTXKECMFMEMJS-UHFFFAOYSA-N 0 0 176.166 1.830 10 0 ADAERN C[C@@H](NC1COC1)c1cccc(O)c1 87194707 573816763 /nfs/dbraw/zinc/81/67/63/573816763.db2.gz SLBGNIYYSYDTJQ-MRVPVSSYSA-N 0 0 193.246 1.442 10 0 ADAERN Cc1cccc(N)c1[C@@H]([NH3+])CC(=O)[O-] 238530520 573816764 /nfs/dbraw/zinc/81/67/64/573816764.db2.gz XPMXVTSHLPHZPW-QMMMGPOBSA-N 0 0 194.234 1.052 10 0 ADAERN CC(C)(C)C(=O)[C@@]1(O)CCCO1 238131881 573816777 /nfs/dbraw/zinc/81/67/77/573816777.db2.gz LZIHUFBAQBFTBC-SECBINFHSA-N 0 0 172.224 1.101 10 0 ADAERN Cc1cnc(CO)c(F)c1C(F)F 238521643 573817370 /nfs/dbraw/zinc/81/73/70/573817370.db2.gz RLGDYDRQIVQVBV-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(=O)CN(C)c1cc(F)ccc1F 258961300 573816822 /nfs/dbraw/zinc/81/68/22/573816822.db2.gz SUSRYGSAUWTLNY-UHFFFAOYSA-N 0 0 199.200 1.990 10 0 ADAERN C[C@H](NC1COC1)c1cccc(O)c1 87194706 573816830 /nfs/dbraw/zinc/81/68/30/573816830.db2.gz SLBGNIYYSYDTJQ-QMMMGPOBSA-N 0 0 193.246 1.442 10 0 ADAERN Fc1cccc(C2COC2)c1 238530388 573816832 /nfs/dbraw/zinc/81/68/32/573816832.db2.gz KPQQEGCWNZKQEX-UHFFFAOYSA-N 0 0 152.168 1.940 10 0 ADAERN CC(=O)c1cccc2[nH]oc(=O)c12 257880038 573816857 /nfs/dbraw/zinc/81/68/57/573816857.db2.gz LVDSYCPKPOFHOZ-UHFFFAOYSA-N 0 0 177.159 1.324 10 0 ADAERN CCCc1cnc(N(C)C#N)nc1 259622432 573816873 /nfs/dbraw/zinc/81/68/73/573816873.db2.gz XQFRAZUINAXEKH-UHFFFAOYSA-N 0 0 176.223 1.346 10 0 ADAERN CC(C)(CO)[C@H]1CCCC(=O)C1 238124400 573816875 /nfs/dbraw/zinc/81/68/75/573816875.db2.gz YLVQEMRTYCLHHY-QMMMGPOBSA-N 0 0 170.252 1.764 10 0 ADAERN OCC[C@H]1CSC[C@@H]1F 258433774 573816884 /nfs/dbraw/zinc/81/68/84/573816884.db2.gz DEKRSKHXCLFQJW-WDSKDSINSA-N 0 0 150.218 1.070 10 0 ADAERN Cc1cc2oc(=O)ccc2c(N)c1C 238522720 573816888 /nfs/dbraw/zinc/81/68/88/573816888.db2.gz DHGMWPYKEOGREJ-UHFFFAOYSA-N 0 0 189.214 1.992 10 0 ADAERN CN1CCc2cccc(O)c21 143483000 573816890 /nfs/dbraw/zinc/81/68/90/573816890.db2.gz NBQCVQUTLDALMT-UHFFFAOYSA-N 0 0 149.193 1.385 10 0 ADAERN Cc1cnc(CO)c(N)c1C(F)F 238521771 573816914 /nfs/dbraw/zinc/81/69/14/573816914.db2.gz BFLOIHJBGGJYGF-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)(Cl)[C@@H](O)P(C)(C)=O 238133152 573816924 /nfs/dbraw/zinc/81/69/24/573816924.db2.gz AVLSUMRURVIXHZ-YFKPBYRVSA-N 0 0 184.603 1.945 10 0 ADAERN Nc1cnc(NC2CCCC2)o1 257881298 573816929 /nfs/dbraw/zinc/81/69/29/573816929.db2.gz KFNCHHPXAJLKCP-UHFFFAOYSA-N 0 0 167.212 1.611 10 0 ADAERN COc1cc(O)cc(Cl)c1O 100685222 573816931 /nfs/dbraw/zinc/81/69/31/573816931.db2.gz IOYGAWIJGYSOMZ-UHFFFAOYSA-N 0 0 174.583 1.760 10 0 ADAERN OCC[C@@H]1CSC[C@@H]1F 258433773 573816953 /nfs/dbraw/zinc/81/69/53/573816953.db2.gz DEKRSKHXCLFQJW-RITPCOANSA-N 0 0 150.218 1.070 10 0 ADAERN COc1cccc2cnc(C=O)n12 257879989 573816954 /nfs/dbraw/zinc/81/69/54/573816954.db2.gz LTBPXXAZEAWEOO-UHFFFAOYSA-N 0 0 176.175 1.155 10 0 ADAERN CN1c2ccccc2C[C@@H]1CCO 258145754 573819879 /nfs/dbraw/zinc/81/98/79/573819879.db2.gz MXIDFUKUSGHZOE-JTQLQIEISA-N 0 0 177.247 1.430 10 0 ADAERN CC(C)(C)C(=O)NC(=O)NCl 238124503 573816981 /nfs/dbraw/zinc/81/69/81/573816981.db2.gz POAYVPQUXRPIPS-UHFFFAOYSA-N 0 0 178.619 1.012 10 0 ADAERN CCC(CC)[C@@H](NC1CC1)C(=O)OC 41049806 573816991 /nfs/dbraw/zinc/81/69/91/573816991.db2.gz HHEBRTZGJVSUGI-SNVBAGLBSA-N 0 0 199.294 1.716 10 0 ADAERN [NH3+]C[C@@]1(CC(=O)[O-])C[C@@H]2CC[C@@H]2C1 100658832 573817004 /nfs/dbraw/zinc/81/70/04/573817004.db2.gz NDDZVQRQVFTNSN-DIYOJNKTSA-N 0 0 183.251 1.226 10 0 ADAERN CCn1cc(C)nc1OC(C)C 257879885 573817010 /nfs/dbraw/zinc/81/70/10/573817010.db2.gz JZAMKXHKVVXVLA-UHFFFAOYSA-N 0 0 168.240 1.999 10 0 ADAERN COc1cc(F)c2cnn(C)c2c1 257881267 573817024 /nfs/dbraw/zinc/81/70/24/573817024.db2.gz MAKNHFRXWRKCEV-UHFFFAOYSA-N 0 0 180.182 1.721 10 0 ADAERN CC(C)(C)c1oc(CO)cc1CO 238134026 573817025 /nfs/dbraw/zinc/81/70/25/573817025.db2.gz FSHPBYKFGJMZBF-UHFFFAOYSA-N 0 0 184.235 1.562 10 0 ADAERN CC(=O)C[C@@]12CCOC[C@@H]1C2 238124162 573817029 /nfs/dbraw/zinc/81/70/29/573817029.db2.gz CHHXABMFJNWTSE-DTWKUNHWSA-N 0 0 154.209 1.392 10 0 ADAERN CC(C)(Cl)[C@@H]1O[C@H](O)C(C)(C)O1 238133672 573817049 /nfs/dbraw/zinc/81/70/49/573817049.db2.gz NVEIPELAJJEHFE-NTSWFWBYSA-N 0 0 194.658 1.474 10 0 ADAERN Cc1cc2c(o1)CC[C@H]1C2=NO[C@@H]1O 223545125 573817069 /nfs/dbraw/zinc/81/70/69/573817069.db2.gz BWJKSMDYWVQCGB-WKEGUHRASA-N 0 0 193.202 1.203 10 0 ADAERN OCC[C@@H]1CSC[C@H]1F 258433772 573817074 /nfs/dbraw/zinc/81/70/74/573817074.db2.gz DEKRSKHXCLFQJW-PHDIDXHHSA-N 0 0 150.218 1.070 10 0 ADAERN CC(=O)N[C@@]12CCCC[C@@H]1CC2 238134656 573817087 /nfs/dbraw/zinc/81/70/87/573817087.db2.gz MQGRUGCKIHTUIB-NXEZZACHSA-N 0 0 167.252 1.845 10 0 ADAERN CO[C@@H](CO)c1ccccc1C 258433827 573817089 /nfs/dbraw/zinc/81/70/89/573817089.db2.gz DGPMPWOCHQCFQQ-JTQLQIEISA-N 0 0 166.220 1.675 10 0 ADAERN CC(C)(CO)[C@H](O)c1ccccc1O 238124331 573817100 /nfs/dbraw/zinc/81/71/00/573817100.db2.gz ICPSKYGNOZUSDQ-SNVBAGLBSA-N 0 0 196.246 1.444 10 0 ADAERN CN1c2ccccc2C[C@H]1CCO 258145756 573817124 /nfs/dbraw/zinc/81/71/24/573817124.db2.gz MXIDFUKUSGHZOE-SNVBAGLBSA-N 0 0 177.247 1.430 10 0 ADAERN CCn1nc(C)c(Cl)c1CCO 84279115 573817128 /nfs/dbraw/zinc/81/71/28/573817128.db2.gz SILRVQUEUGMJES-UHFFFAOYSA-N 0 0 188.658 1.400 10 0 ADAERN CC(=O)S[C@]1(C)CCC[C@@H]1O 238132496 573817132 /nfs/dbraw/zinc/81/71/32/573817132.db2.gz KFOBDXATLVCJFM-JGVFFNPUSA-N 0 0 174.265 1.570 10 0 ADAERN Fc1cccc([C@H]2CNOC2)c1 258433790 573817147 /nfs/dbraw/zinc/81/71/47/573817147.db2.gz DEXCZAZPRKLCRZ-QMMMGPOBSA-N 0 0 167.183 1.444 10 0 ADAERN CC(C)CC1CN(C(N)=O)C1 238132921 573817170 /nfs/dbraw/zinc/81/71/70/573817170.db2.gz QYKPSTWPZSCESW-UHFFFAOYSA-N 0 0 156.229 1.043 10 0 ADAERN O=C1C[C@@H](c2ccc(Cl)nc2)CN1 238521908 573817183 /nfs/dbraw/zinc/81/71/83/573817183.db2.gz TZAQLVHGZTXZGX-SSDOTTSWSA-N 0 0 196.637 1.339 10 0 ADAERN CSCC1=NC(C)=CS1(=O)=O 257879833 573817192 /nfs/dbraw/zinc/81/71/92/573817192.db2.gz JVGQUVBMLOIRLM-UHFFFAOYSA-N 0 0 191.277 1.038 10 0 ADAERN O=C1Cc2ccccc2C[C@H]1F 238530477 573817198 /nfs/dbraw/zinc/81/71/98/573817198.db2.gz ATCUJEHZRXYQNL-SECBINFHSA-N 0 0 164.179 1.692 10 0 ADAERN COC(=O)c1c(C)cc(C2CC2)n1C 259622249 573817201 /nfs/dbraw/zinc/81/72/01/573817201.db2.gz NPNXUYYKBCPZDN-UHFFFAOYSA-N 0 0 193.246 1.998 10 0 ADAERN ONCc1c(F)ccc2c1OCCC2 258145470 573817212 /nfs/dbraw/zinc/81/72/12/573817212.db2.gz SYAWHNYDYNVJAB-UHFFFAOYSA-N 0 0 197.209 1.630 10 0 ADAERN Cc1nnn(C2CCCCC2)c1N 257881180 573817242 /nfs/dbraw/zinc/81/72/42/573817242.db2.gz LZKIWKDXDMAIBH-UHFFFAOYSA-N 0 0 180.255 1.674 10 0 ADAERN CCc1nn(C)c(CO)c1Cl 84281677 573817278 /nfs/dbraw/zinc/81/72/78/573817278.db2.gz CCGRWYYVECOFDH-UHFFFAOYSA-N 0 0 174.631 1.128 10 0 ADAERN CC(C)(Cl)[C@@H]1O[C@@H](O)C(C)(C)O1 238133646 573817280 /nfs/dbraw/zinc/81/72/80/573817280.db2.gz NVEIPELAJJEHFE-PHDIDXHHSA-N 0 0 194.658 1.474 10 0 ADAERN CC[C@]1(C)CC(=O)C[C@H](C)O1 197833896 573817292 /nfs/dbraw/zinc/81/72/92/573817292.db2.gz OKIDEXMUSQWCEM-IONNQARKSA-N 0 0 156.225 1.923 10 0 ADAERN Cc1cn(C)c(N2CCCCC2)n1 257879864 573817298 /nfs/dbraw/zinc/81/72/98/573817298.db2.gz JXGORFBYNAEKLC-UHFFFAOYSA-N 0 0 179.267 1.719 10 0 ADAERN Cc1ccc(-c2noc([C@H](C)O)n2)o1 258146780 573817304 /nfs/dbraw/zinc/81/73/04/573817304.db2.gz VVNIMDJHIRZNDT-LURJTMIESA-N 0 0 194.190 1.691 10 0 ADAERN Nc1[nH]c(=O)nc2c(Cl)cccc12 257880165 573817306 /nfs/dbraw/zinc/81/73/06/573817306.db2.gz VGWNQXXAMSWQPP-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN CC[C@@H]1CNc2cccnc2N1 84305534 573820619 /nfs/dbraw/zinc/82/06/19/573820619.db2.gz FOVLIIUOTXECQQ-SSDOTTSWSA-N 0 0 163.224 1.698 10 0 ADAERN Cc1cccc(CSC(N)=O)n1 238521904 573817318 /nfs/dbraw/zinc/81/73/18/573817318.db2.gz MOKKTHVOIXEJBH-UHFFFAOYSA-N 0 0 182.248 1.702 10 0 ADAERN Cc1cc2nncn2cc1Cl 238521970 573817326 /nfs/dbraw/zinc/81/73/26/573817326.db2.gz OJMNFEMAWDVWAN-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN COc1cccc(O)c1[C@@H](C)CO 258147763 573817390 /nfs/dbraw/zinc/81/73/90/573817390.db2.gz TTWQNDKZRQOKKH-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN COc1ccc(C[C@H](C)O)cn1 84287924 573817397 /nfs/dbraw/zinc/81/73/97/573817397.db2.gz CMJMGYSYJFNVKH-ZETCQYMHSA-N 0 0 167.208 1.014 10 0 ADAERN CC(=O)Cc1c(Cl)c(C)nn1C 84273259 573817402 /nfs/dbraw/zinc/81/74/02/573817402.db2.gz FSTGXSXAEVSAPL-UHFFFAOYSA-N 0 0 186.642 1.513 10 0 ADAERN NCC(=O)c1cc2c(cc1F)CCC2 258147800 573817406 /nfs/dbraw/zinc/81/74/06/573817406.db2.gz TUSNVIBMXNEDJE-UHFFFAOYSA-N 0 0 193.221 1.456 10 0 ADAERN Cc1nc([C@H]2CCCO2)[nH]c1C 238530540 573817413 /nfs/dbraw/zinc/81/74/13/573817413.db2.gz CJJGZXSRFYFYOD-MRVPVSSYSA-N 0 0 166.224 1.878 10 0 ADAERN COC(=O)[C@H]1CCC(=O)[C@@H](C(C)C)C1 259622380 573817478 /nfs/dbraw/zinc/81/74/78/573817478.db2.gz NQRNLFPLMBSIDX-DTWKUNHWSA-N 0 0 198.262 1.801 10 0 ADAERN CC[C@H](CCCO)C(C)=O 79381899 573817487 /nfs/dbraw/zinc/81/74/87/573817487.db2.gz HGINDASPKVOZIV-MRVPVSSYSA-N 0 0 144.214 1.374 10 0 ADAERN Cc1cc(C=O)cc(C2OCCO2)c1 238522176 573817502 /nfs/dbraw/zinc/81/75/02/573817502.db2.gz ICDYQZLOBWCEMM-UHFFFAOYSA-N 0 0 192.214 1.853 10 0 ADAERN CCn1cc([C@H](O)CC(C)C)cn1 43468488 573817504 /nfs/dbraw/zinc/81/75/04/573817504.db2.gz MLTYPNCFTSMDEM-SNVBAGLBSA-N 0 0 182.267 1.983 10 0 ADAERN Cc1ccc(-c2noc([C@@H](C)O)n2)o1 258146786 573817555 /nfs/dbraw/zinc/81/75/55/573817555.db2.gz VVNIMDJHIRZNDT-ZCFIWIBFSA-N 0 0 194.190 1.691 10 0 ADAERN CC[C@@H](C)[C@H]([NH2+]C1CC1)C(=O)[O-] 41050209 573817557 /nfs/dbraw/zinc/81/75/57/573817557.db2.gz MQPJFFIBMXZMIR-SVRRBLITSA-N 0 0 171.240 1.238 10 0 ADAERN Oc1cccn2c(C3CC3)nnc12 258147717 573817595 /nfs/dbraw/zinc/81/75/95/573817595.db2.gz HQHKPZAXMGDAEY-UHFFFAOYSA-N 0 0 175.191 1.312 10 0 ADAERN Cc1cc(C=O)n2nccc2c1 238522262 573817597 /nfs/dbraw/zinc/81/75/97/573817597.db2.gz QEYWUNQRKVPFHB-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN Cc1ccc2c(N)cnn2c1 238522276 573817608 /nfs/dbraw/zinc/81/76/08/573817608.db2.gz HGOZITIBDFAYDF-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN CC(C)(C)C1=C[C@@H](O)C[C@@H]1O 238138225 573817611 /nfs/dbraw/zinc/81/76/11/573817611.db2.gz PYYNJKJIAWIZLS-SVRRBLITSA-N 0 0 156.225 1.084 10 0 ADAERN CC(C)(C)C1=NN(C(N)=O)CC1 238138905 573817628 /nfs/dbraw/zinc/81/76/28/573817628.db2.gz UBBPRSZYDSLGIV-UHFFFAOYSA-N 0 0 169.228 1.173 10 0 ADAERN CC(=O)c1o[nH]c2cc(=O)ccc1-2 257883341 573818845 /nfs/dbraw/zinc/81/88/45/573818845.db2.gz MKIGWASSNWGLRS-UHFFFAOYSA-N 0 0 177.159 1.736 10 0 ADAERN C=Cc1ccc([C@@H]2COCC[NH2+]2)cc1 238134973 573817664 /nfs/dbraw/zinc/81/76/64/573817664.db2.gz OMIDJLWBDSSIRT-LBPRGKRZSA-N 0 0 189.258 1.991 10 0 ADAERN COc1ccc(C)c(O)c1CON 258145480 573817674 /nfs/dbraw/zinc/81/76/74/573817674.db2.gz SYHBEOKAWQQFJE-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN CC(C)(F)C(=O)Nc1ccccc1N 238135010 573817705 /nfs/dbraw/zinc/81/77/05/573817705.db2.gz MOZDFLACKUNTNK-UHFFFAOYSA-N 0 0 196.225 1.955 10 0 ADAERN CO[C@@H](C)Cc1ccc(CCO)cc1 258145519 573817726 /nfs/dbraw/zinc/81/77/26/573817726.db2.gz SZBGWNCLSORUNJ-JTQLQIEISA-N 0 0 194.274 1.799 10 0 ADAERN CC(C)(C)C1=C[C@H](O)C[C@H]1O 238138598 573817727 /nfs/dbraw/zinc/81/77/27/573817727.db2.gz PYYNJKJIAWIZLS-POYBYMJQSA-N 0 0 156.225 1.084 10 0 ADAERN CCC[C@@H](C)C[C@@](C)(C[NH3+])C(=O)[O-] 233274942 573817732 /nfs/dbraw/zinc/81/77/32/573817732.db2.gz VYIYBMPACLQMCQ-SCZZXKLOSA-N 0 0 187.283 1.862 10 0 ADAERN CCOC(=O)[C@H](NC)C(C)(C)C 41051796 573817750 /nfs/dbraw/zinc/81/77/50/573817750.db2.gz KYGHTRWNSOVVIY-ZETCQYMHSA-N 0 0 173.256 1.184 10 0 ADAERN OCC1(Cc2ccc(O)cc2)CC1 87184845 573817766 /nfs/dbraw/zinc/81/77/66/573817766.db2.gz KUAQRLFBAJUHBB-UHFFFAOYSA-N 0 0 178.231 1.707 10 0 ADAERN CCCC(C)(C)N[C@@H]1C[C@@H](C)OC1=O 308749756 573818460 /nfs/dbraw/zinc/81/84/60/573818460.db2.gz TVLMGBLWVWCFAU-RKDXNWHRSA-N 0 0 199.294 1.859 10 0 ADAERN CCCC(C)(C)N[C@H]1C[C@H](C)OC1=O 308749755 573817818 /nfs/dbraw/zinc/81/78/18/573817818.db2.gz TVLMGBLWVWCFAU-IUCAKERBSA-N 0 0 199.294 1.859 10 0 ADAERN C=Cc1ccc2oc(=O)[nH]c2c1 238136651 573817870 /nfs/dbraw/zinc/81/78/70/573817870.db2.gz DYBLYUXBVTVZGE-UHFFFAOYSA-N 0 0 161.160 1.764 10 0 ADAERN CC(=O)c1cc(C2CCOCC2)n[nH]1 257885396 573817876 /nfs/dbraw/zinc/81/78/76/573817876.db2.gz WFFZPOUGTLFTNM-UHFFFAOYSA-N 0 0 194.234 1.506 10 0 ADAERN OCc1coc(-c2ccccc2O)n1 258145759 573818469 /nfs/dbraw/zinc/81/84/69/573818469.db2.gz QCLMYDZIZWOZEE-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN Cl/C=C(/Cl)CNC1COC1 87195260 573817962 /nfs/dbraw/zinc/81/79/62/573817962.db2.gz HLZYXCDYHHRLDA-ORCRQEGFSA-N 0 0 182.050 1.294 10 0 ADAERN CC[C@@H](OC)C(=O)O[C@H](C)C1CC1 308447321 573817986 /nfs/dbraw/zinc/81/79/86/573817986.db2.gz BWJVYAWFRZSCOO-VXNVDRBHSA-N 0 0 186.251 1.753 10 0 ADAERN COc1cc(O)c(C2(O)CC2)cc1C 258145461 573817987 /nfs/dbraw/zinc/81/79/87/573817987.db2.gz SXZCDZNMEQCLOM-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN COCc1ccc(CCCO)cc1F 258148691 573817997 /nfs/dbraw/zinc/81/79/97/573817997.db2.gz OQMHECURAOQFMK-UHFFFAOYSA-N 0 0 198.237 1.897 10 0 ADAERN COC(=O)[C@H](NC1CC1)C(C)(C)C 41051803 573817999 /nfs/dbraw/zinc/81/79/99/573817999.db2.gz NSQRZEPFHZOJJJ-QMMMGPOBSA-N 0 0 185.267 1.326 10 0 ADAERN CCCN1CC(OC(=O)C2CC2)C1 308446974 573818476 /nfs/dbraw/zinc/81/84/76/573818476.db2.gz BRHWZJMUQZEHOK-UHFFFAOYSA-N 0 0 183.251 1.034 10 0 ADAERN CC[C@@]1(CO)Cc2cc(F)ccc2N1 258146745 573818022 /nfs/dbraw/zinc/81/80/22/573818022.db2.gz LCKLZHHXHKVVEL-NSHDSACASA-N 0 0 195.237 1.935 10 0 ADAERN OCC[C@H]1Cc2cccc(F)c2C1 257883331 573818023 /nfs/dbraw/zinc/81/80/23/573818023.db2.gz MKCQCMBEHQYTAC-QMMMGPOBSA-N 0 0 180.222 1.923 10 0 ADAERN O=C(c1ccccn1)[C@@H]1CCCOC1 225017108 573818029 /nfs/dbraw/zinc/81/80/29/573818029.db2.gz YWENSPKZKXSQRH-SECBINFHSA-N 0 0 191.230 1.691 10 0 ADAERN CC(C)(O)c1c(O)cc(F)cc1F 258147781 573818035 /nfs/dbraw/zinc/81/80/35/573818035.db2.gz TUGBCYGNAVWRGL-UHFFFAOYSA-N 0 0 188.173 1.898 10 0 ADAERN CC[C@]1(C)CC(=O)C[C@@H](C)O1 197833914 573818069 /nfs/dbraw/zinc/81/80/69/573818069.db2.gz OKIDEXMUSQWCEM-VXNVDRBHSA-N 0 0 156.225 1.923 10 0 ADAERN C[C@H](O)c1cc2cc(O)ccc2[nH]1 258146803 573818089 /nfs/dbraw/zinc/81/80/89/573818089.db2.gz LCSBMCULCTWPFM-LURJTMIESA-N 0 0 177.203 1.927 10 0 ADAERN Cc1ccc(S(=O)(=O)C=O)c(C)c1 259200035 573818100 /nfs/dbraw/zinc/81/81/00/573818100.db2.gz KJQGURIWKFZXMJ-UHFFFAOYSA-N 0 0 198.243 1.267 10 0 ADAERN O=C1CC[C@H](CO)N1c1ccccc1 225011464 573818107 /nfs/dbraw/zinc/81/81/07/573818107.db2.gz OJRTXCFQOCTOOQ-SNVBAGLBSA-N 0 0 191.230 1.174 10 0 ADAERN CC(C)(C)C1=C(O)CCC1=O 238139504 573818117 /nfs/dbraw/zinc/81/81/17/573818117.db2.gz ZIXRBFXOIATCNR-UHFFFAOYSA-N 0 0 154.209 1.581 10 0 ADAERN Cc1ncsc1[C@H](C)NC1COC1 87194421 573818126 /nfs/dbraw/zinc/81/81/26/573818126.db2.gz KZOXEDJSDHYANW-ZETCQYMHSA-N 0 0 198.291 1.501 10 0 ADAERN NOCCc1ccc(Cl)cc1F 258148000 573818173 /nfs/dbraw/zinc/81/81/73/573818173.db2.gz TWZNVYGSRUHGNC-UHFFFAOYSA-N 0 0 189.617 1.912 10 0 ADAERN C[NH2+]C[C@H]1CCCC[C@H]1C(=O)[O-] 84306975 573818182 /nfs/dbraw/zinc/81/81/82/573818182.db2.gz KXDUMBDYPAZTAY-HTQZYQBOSA-N 0 0 171.240 1.097 10 0 ADAERN Cc1cc([C@H](O)C(C)(C)O)oc1C 238524214 573818194 /nfs/dbraw/zinc/81/81/94/573818194.db2.gz BYSSPTKFNRPGEC-VIFPVBQESA-N 0 0 184.235 1.701 10 0 ADAERN CN[C@H](C)c1noc([C@@H]2CCCO2)n1 258146575 573818195 /nfs/dbraw/zinc/81/81/95/573818195.db2.gz VTFSQIIIPMHSFQ-RQJHMYQMSA-N 0 0 197.238 1.202 10 0 ADAERN CC(=O)[C@H]1CN(C)c2cccc(F)c21 258146270 573818850 /nfs/dbraw/zinc/81/88/50/573818850.db2.gz QTNVATDVDVRRCQ-MRVPVSSYSA-N 0 0 193.221 1.948 10 0 ADAERN Cc1nc2c(o1)C1(CC1)CNC2 238523099 573818248 /nfs/dbraw/zinc/81/82/48/573818248.db2.gz KAKCCDRZLRGCKA-UHFFFAOYSA-N 0 0 164.208 1.118 10 0 ADAERN O=C1CCC[C@]23C[C@H]2CCN13 84304436 573818253 /nfs/dbraw/zinc/81/82/53/573818253.db2.gz GJQSRNZUEXBTQP-APPZFPTMSA-N 0 0 151.209 1.161 10 0 ADAERN CC[C@H](C)[C@H](NN)c1cnc(C)n1C 308447936 573818268 /nfs/dbraw/zinc/81/82/68/573818268.db2.gz BGRKPULEIMSBRQ-XVKPBYJWSA-N 0 0 196.298 1.279 10 0 ADAERN CC[C@@]1(C)CC(=O)C[C@H](C)O1 197833905 573818278 /nfs/dbraw/zinc/81/82/78/573818278.db2.gz OKIDEXMUSQWCEM-CBAPKCEASA-N 0 0 156.225 1.923 10 0 ADAERN CC(C)(C)C1=CC(C)(C)[C@H](O)OC1=O 238137283 573818294 /nfs/dbraw/zinc/81/82/94/573818294.db2.gz VWAUKSYGZQBIIW-SECBINFHSA-N 0 0 198.262 1.860 10 0 ADAERN CC(=O)Cc1cnc(Cl)c(N)c1 238138332 573818312 /nfs/dbraw/zinc/81/83/12/573818312.db2.gz PLIANPNAWUOXAT-UHFFFAOYSA-N 0 0 184.626 1.449 10 0 ADAERN CCN(C(=O)NOC)[C@H](C)C(C)C 308447228 573818323 /nfs/dbraw/zinc/81/83/23/573818323.db2.gz BVJVIQBKWJVNJE-MRVPVSSYSA-N 0 0 188.271 1.624 10 0 ADAERN COCc1cnc(C)n1C(C)C 258146854 573818328 /nfs/dbraw/zinc/81/83/28/573818328.db2.gz LDBIOMHVBPWSKN-UHFFFAOYSA-N 0 0 168.240 1.919 10 0 ADAERN Cc1cccc(-c2ccnc(N)n2)n1 238524047 573818331 /nfs/dbraw/zinc/81/83/31/573818331.db2.gz UGTFEDIKPANFGP-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccc2c(c1)OCC[C@]2(C)O 238523785 573818332 /nfs/dbraw/zinc/81/83/32/573818332.db2.gz NRIBZQOWHQHXPU-NSHDSACASA-N 0 0 178.231 1.985 10 0 ADAERN O=C(c1ccncn1)[C@H]1CCCOC1 225019758 573818333 /nfs/dbraw/zinc/81/83/33/573818333.db2.gz ALEQHRBUDUQXGI-QMMMGPOBSA-N 0 0 192.218 1.086 10 0 ADAERN CC[C@@H](C)[NH2+][C@@H](C(=O)[O-])C(C)(C)C 41051896 573818350 /nfs/dbraw/zinc/81/83/50/573818350.db2.gz ZYZSXYUAQULPBZ-SFYZADRCSA-N 0 0 187.283 1.874 10 0 ADAERN NOC[C@H](O)c1ccccc1Cl 257885395 573818363 /nfs/dbraw/zinc/81/83/63/573818363.db2.gz WFFJCNTZEKDXQP-QMMMGPOBSA-N 0 0 187.626 1.264 10 0 ADAERN C=Cc1ccc2[nH]c(=O)oc2c1 238136431 573818375 /nfs/dbraw/zinc/81/83/75/573818375.db2.gz ZDFNXIPZNQTSCJ-UHFFFAOYSA-N 0 0 161.160 1.764 10 0 ADAERN Cn1cnc2c(CCON)cccc21 258145457 573818377 /nfs/dbraw/zinc/81/83/77/573818377.db2.gz SXWWAWAFQAGQAQ-UHFFFAOYSA-N 0 0 191.234 1.006 10 0 ADAERN Cc1cc(C(N)=O)ncc1C(F)F 238524400 573818381 /nfs/dbraw/zinc/81/83/81/573818381.db2.gz SZUNGBVRGMXQEN-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN C[C@H]1CCO[C@H]1c1nnc(CN)s1 125190216 573822356 /nfs/dbraw/zinc/82/23/56/573822356.db2.gz KGKQTNCGILQQDH-CAHLUQPWSA-N 0 0 199.279 1.094 10 0 ADAERN Cc1cnc(Cl)c(=O)[nH]1 238523710 573818420 /nfs/dbraw/zinc/81/84/20/573818420.db2.gz GFFQYVAIGKXDTB-UHFFFAOYSA-N 0 0 144.561 1.144 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nnc(CN)s1 125189495 573818428 /nfs/dbraw/zinc/81/84/28/573818428.db2.gz KGKQTNCGILQQDH-VDTYLAMSSA-N 0 0 199.279 1.094 10 0 ADAERN CC(=O)OC1(N)CCCCCC1 238134819 573818434 /nfs/dbraw/zinc/81/84/34/573818434.db2.gz ADUPVRLDNVBQJB-UHFFFAOYSA-N 0 0 171.240 1.559 10 0 ADAERN OCc1snc2ccccc12 84302849 573818437 /nfs/dbraw/zinc/81/84/37/573818437.db2.gz XUPMOUZRRBTOBY-UHFFFAOYSA-N 0 0 165.217 1.789 10 0 ADAERN C[C@H](CO)Cc1cccc(O)c1 87184873 573818537 /nfs/dbraw/zinc/81/85/37/573818537.db2.gz VQTUQFUIOLSIEN-QMMMGPOBSA-N 0 0 166.220 1.563 10 0 ADAERN CC[C@H](C)[C@H](CO)NCC(F)(F)F 41050479 573818539 /nfs/dbraw/zinc/81/85/39/573818539.db2.gz PLXKJBQALBAJGX-BQBZGAKWSA-N 0 0 199.216 1.545 10 0 ADAERN O=C(c1ccncc1)[C@@H]1CCCOC1 225017198 573818542 /nfs/dbraw/zinc/81/85/42/573818542.db2.gz IGISSPCUHIIBPV-SNVBAGLBSA-N 0 0 191.230 1.691 10 0 ADAERN NOC[C@@H](O)c1ccccc1Cl 257885393 573818543 /nfs/dbraw/zinc/81/85/43/573818543.db2.gz WFFJCNTZEKDXQP-MRVPVSSYSA-N 0 0 187.626 1.264 10 0 ADAERN CC(=O)Cc1cc(C(C)=O)ccc1O 238136588 573818546 /nfs/dbraw/zinc/81/85/46/573818546.db2.gz WFTTZOBTFHLQRK-UHFFFAOYSA-N 0 0 192.214 1.726 10 0 ADAERN C[C@]12CC[C@@H](O)[C@@H]1CCCC2=O 238523199 573818572 /nfs/dbraw/zinc/81/85/72/573818572.db2.gz QWYXCUDAMYMSIP-XKSSXDPKSA-N 0 0 168.236 1.517 10 0 ADAERN C=Cc1ccc2c(c1)CC(=O)N2 238136191 573818578 /nfs/dbraw/zinc/81/85/78/573818578.db2.gz WYVRVZQAFZJWGQ-UHFFFAOYSA-N 0 0 159.188 1.824 10 0 ADAERN CCCC(C)(C)N[C@H]1C[C@@H](C)OC1=O 308749753 573818622 /nfs/dbraw/zinc/81/86/22/573818622.db2.gz TVLMGBLWVWCFAU-BDAKNGLRSA-N 0 0 199.294 1.859 10 0 ADAERN COCCCCn1cc(C(C)=O)cn1 131201636 573818632 /nfs/dbraw/zinc/81/86/32/573818632.db2.gz FBHWPHMAPNLGQZ-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN C[C@@H]1CCc2nc(CCCO)cn2C1 258146315 573818634 /nfs/dbraw/zinc/81/86/34/573818634.db2.gz DFRVZPWCWGEARS-SECBINFHSA-N 0 0 194.278 1.390 10 0 ADAERN CC[C@@H](C)[C@@H]([NH2+]CC(C)C)C(=O)[O-] 41050331 573818641 /nfs/dbraw/zinc/81/86/41/573818641.db2.gz MXLCEJWGYZUSKT-RKDXNWHRSA-N 0 0 187.283 1.731 10 0 ADAERN CC[C@H]1CNc2cccnc2N1 84305537 573818650 /nfs/dbraw/zinc/81/86/50/573818650.db2.gz FOVLIIUOTXECQQ-ZETCQYMHSA-N 0 0 163.224 1.698 10 0 ADAERN Cc1ccc2c(c1)OC(C(N)=O)C2=O 238523232 573818697 /nfs/dbraw/zinc/81/86/97/573818697.db2.gz SCGVSJBTNXAEOU-UHFFFAOYSA-N 0 0 191.186 1.546 10 0 ADAERN OCCCc1cnn(C2CC2)c1 258435438 573818731 /nfs/dbraw/zinc/81/87/31/573818731.db2.gz DNFCMMXDAPTBOW-UHFFFAOYSA-N 0 0 166.224 1.143 10 0 ADAERN C[C@]12CC[C@@H]1CC[C@@H]2O 238523632 573818762 /nfs/dbraw/zinc/81/87/62/573818762.db2.gz YTSXSSIXMCKYCV-FXQIFTODSA-N 0 0 126.199 1.557 10 0 ADAERN CC(C)C[C@@H]([NH3+])C[P@@](C)(=O)[O-] 238138358 573818766 /nfs/dbraw/zinc/81/87/66/573818766.db2.gz BAHFGIGFBOYEAZ-SSDOTTSWSA-N 0 0 179.200 1.260 10 0 ADAERN O=C([O-])CC[NH2+][C@@H]1C=CCCCCC1 308447820 573818767 /nfs/dbraw/zinc/81/87/67/573818767.db2.gz AANUUNAQUJVKFB-SNVBAGLBSA-N 0 0 197.278 1.940 10 0 ADAERN COC(=O)C1(c2nc(C)c[nH]2)CCC1 259203533 573820444 /nfs/dbraw/zinc/82/04/44/573820444.db2.gz XWNMCSNAOOYCKK-UHFFFAOYSA-N 0 0 194.234 1.313 10 0 ADAERN O=C(CC(F)(F)F)[C@@H]1CCCOC1 225017733 573819638 /nfs/dbraw/zinc/81/96/38/573819638.db2.gz DBZREHNUNRXTOM-ZCFIWIBFSA-N 0 0 196.168 1.935 10 0 ADAERN CC=C1N=Nc2nc[nH]c(=O)c21 306449385 573819680 /nfs/dbraw/zinc/81/96/80/573819680.db2.gz LXEGZRPDUCXSMX-UHFFFAOYSA-N 0 0 162.152 1.083 10 0 ADAERN CCOC(=O)c1n[nH]c2c1C[C@@H]1C[C@H]21 143485584 573819688 /nfs/dbraw/zinc/81/96/88/573819688.db2.gz IETHOCPPFVXWDU-WDSKDSINSA-N 0 0 192.218 1.246 10 0 ADAERN CC(C)(F)c1ncc(C=O)cn1 238136197 573819690 /nfs/dbraw/zinc/81/96/90/573819690.db2.gz IUILMWZFFSAQIO-UHFFFAOYSA-N 0 0 168.171 1.494 10 0 ADAERN O=C(c1ncccn1)[C@H]1CCCOC1 225017598 573819707 /nfs/dbraw/zinc/81/97/07/573819707.db2.gz MMQMMKDEMWWXGN-QMMMGPOBSA-N 0 0 192.218 1.086 10 0 ADAERN CC(C)(C)C1=NO[C@H](O)C1 238139246 573819711 /nfs/dbraw/zinc/81/97/11/573819711.db2.gz IZBOGWVVQQIXDL-LURJTMIESA-N 0 0 143.186 1.127 10 0 ADAERN Cc1ccc([C@@H]2NCCCO2)o1 238524368 573819738 /nfs/dbraw/zinc/81/97/38/573819738.db2.gz AVGWWTOECGAFMX-SECBINFHSA-N 0 0 167.208 1.597 10 0 ADAERN CC(C)(C)C1=NO[C@@H](O)C1 238139152 573819745 /nfs/dbraw/zinc/81/97/45/573819745.db2.gz IZBOGWVVQQIXDL-ZCFIWIBFSA-N 0 0 143.186 1.127 10 0 ADAERN CC(C)[NH2+][C@H](C(=O)[O-])C(C)(C)C 41051783 573819747 /nfs/dbraw/zinc/81/97/47/573819747.db2.gz JJVOHOGSRFRWSD-SSDOTTSWSA-N 0 0 173.256 1.484 10 0 ADAERN OCC[C@@H]1COc2ccc(O)cc21 258145863 573819767 /nfs/dbraw/zinc/81/97/67/573819767.db2.gz QQQCWDDAHWIYGA-SSDOTTSWSA-N 0 0 180.203 1.251 10 0 ADAERN COC(=O)[C@H](NC(C)C)C(C)(C)C 41051786 573819780 /nfs/dbraw/zinc/81/97/80/573819780.db2.gz DKUVPYKSWGYNMD-QMMMGPOBSA-N 0 0 187.283 1.572 10 0 ADAERN Cc1cnc(Cl)c2n[nH]cc12 238524414 573819783 /nfs/dbraw/zinc/81/97/83/573819783.db2.gz BFTDZZSNLYDHRH-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN O=C(CC(F)(F)F)[C@H]1CCCOC1 225017768 573819799 /nfs/dbraw/zinc/81/97/99/573819799.db2.gz DBZREHNUNRXTOM-LURJTMIESA-N 0 0 196.168 1.935 10 0 ADAERN CC(C)[C@H](C)[C@H](O)c1cnnn1C 125187022 573819827 /nfs/dbraw/zinc/81/98/27/573819827.db2.gz GKGOPLHZXYAEKL-CBAPKCEASA-N 0 0 183.255 1.141 10 0 ADAERN Nc1cc(O)ccc1C[C@H]1CCCO1 257883561 573819828 /nfs/dbraw/zinc/81/98/28/573819828.db2.gz VYAMOQGITLOWHK-SNVBAGLBSA-N 0 0 193.246 1.696 10 0 ADAERN CC(C)(C)C1=C[C@H](O)C[C@@H]1O 238138570 573819846 /nfs/dbraw/zinc/81/98/46/573819846.db2.gz PYYNJKJIAWIZLS-XPUUQOCRSA-N 0 0 156.225 1.084 10 0 ADAERN COC[C@@H](CO)C1CCSCC1 258146776 573819872 /nfs/dbraw/zinc/81/98/72/573819872.db2.gz MSTKDKBHXROCIQ-SECBINFHSA-N 0 0 190.308 1.385 10 0 ADAERN CCOC(=O)[C@H](NC1CC1)C(C)(C)C 41051804 573819912 /nfs/dbraw/zinc/81/99/12/573819912.db2.gz GEGNJROGXOLSAZ-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN Cc1cccc2[nH]c(=O)n(C3CC3)c12 257883179 573819936 /nfs/dbraw/zinc/81/99/36/573819936.db2.gz HQQUBQCGZZDZGM-UHFFFAOYSA-N 0 0 188.230 1.973 10 0 ADAERN COc1cccc(O)c1[C@H](C)CO 258147760 573819938 /nfs/dbraw/zinc/81/99/38/573819938.db2.gz TTWQNDKZRQOKKH-SSDOTTSWSA-N 0 0 182.219 1.497 10 0 ADAERN Cn1ccnc1-c1cc(O)ccc1N 238523082 573819972 /nfs/dbraw/zinc/81/99/72/573819972.db2.gz FSSNJBBNFSNWTQ-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CC(=O)C[C@H]1C[C@](C)(O)C1(C)C 238131146 573824251 /nfs/dbraw/zinc/82/42/51/573824251.db2.gz ACWRWPUTIUGXHR-WPRPVWTQSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1ccc([C@@H]2C[C@H](O)C(=O)O2)cc1 238523977 573819981 /nfs/dbraw/zinc/81/99/81/573819981.db2.gz ZOLOGWNSVKTPMN-UWVGGRQHSA-N 0 0 192.214 1.344 10 0 ADAERN Cn1ncc2cc(CCCO)ccc21 258145439 573819987 /nfs/dbraw/zinc/81/99/87/573819987.db2.gz SXQMJWSCDYXLDN-UHFFFAOYSA-N 0 0 190.246 1.498 10 0 ADAERN Cc1cc2oncc2cc1O 238524259 573819996 /nfs/dbraw/zinc/81/99/96/573819996.db2.gz JZMBZVCTNHTXSW-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN Cc1ncc(COc2cccnc2)o1 258147046 573819998 /nfs/dbraw/zinc/81/99/98/573819998.db2.gz LEBPMNOIASZTBF-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN Cc1nnc2ccc(C=O)c(C)n12 238523491 573820000 /nfs/dbraw/zinc/82/00/00/573820000.db2.gz WLGVDFNXVLPFME-UHFFFAOYSA-N 0 0 175.191 1.159 10 0 ADAERN O=C1C[C@H](c2cccnc2Cl)CN1 238524406 573820003 /nfs/dbraw/zinc/82/00/03/573820003.db2.gz IWSACFZKXFKRPJ-LURJTMIESA-N 0 0 196.637 1.339 10 0 ADAERN O=C1CC[C@H](c2ccc(O)cc2)CN1 257883209 573820596 /nfs/dbraw/zinc/82/05/96/573820596.db2.gz HRUKADNBBKMHGL-VIFPVBQESA-N 0 0 191.230 1.386 10 0 ADAERN Cc1cc2occ(C)c2c(CO)n1 238523689 573820005 /nfs/dbraw/zinc/82/00/05/573820005.db2.gz QOOTUBZUWAYXGM-UHFFFAOYSA-N 0 0 177.203 1.937 10 0 ADAERN CCC(CC)[C@H](C(=O)[O-])[NH+]1CCCC1 41049884 573820598 /nfs/dbraw/zinc/82/05/98/573820598.db2.gz NRZRQNBQRASMDL-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)[C@@H](NC(C)C)C(C)(C)C 41051787 573820056 /nfs/dbraw/zinc/82/00/56/573820056.db2.gz DKUVPYKSWGYNMD-MRVPVSSYSA-N 0 0 187.283 1.572 10 0 ADAERN CC(=O)OC1=CC=C(CO)CC=C1C 238135661 573820061 /nfs/dbraw/zinc/82/00/61/573820061.db2.gz SYRZYTJQNSIWEP-UHFFFAOYSA-N 0 0 194.230 1.702 10 0 ADAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])[C@@H](C)CC 41050380 573820083 /nfs/dbraw/zinc/82/00/83/573820083.db2.gz KTZSXMYBOSXKEN-XHNCKOQMSA-N 0 0 187.283 1.874 10 0 ADAERN Clc1ccc(CNC2COC2)o1 87194676 573820086 /nfs/dbraw/zinc/82/00/86/573820086.db2.gz WFKALAXOMSBVCM-UHFFFAOYSA-N 0 0 187.626 1.421 10 0 ADAERN C[C@@H](O)Cc1cccc2oc(=O)[nH]c12 258147857 573820087 /nfs/dbraw/zinc/82/00/87/573820087.db2.gz TVNVQDUICRPPDG-ZCFIWIBFSA-N 0 0 193.202 1.457 10 0 ADAERN CC(=O)OC1=C[C@H]2CC(=O)C[C@@H]2C1 238138606 573820089 /nfs/dbraw/zinc/82/00/89/573820089.db2.gz RNCWZAMUKFRWOY-HTQZYQBOSA-N 0 0 180.203 1.432 10 0 ADAERN Cc1nc(N)c2scc(C)c2n1 238523485 573820099 /nfs/dbraw/zinc/82/00/99/573820099.db2.gz RAKOFTXNCAZLGR-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN CC(C)(F)c1ncc(N)cn1 238136309 573820125 /nfs/dbraw/zinc/82/01/25/573820125.db2.gz DWWISZAOTNKTSZ-UHFFFAOYSA-N 0 0 155.176 1.263 10 0 ADAERN Cn1ccnc1-c1csc(CO)n1 238523725 573820126 /nfs/dbraw/zinc/82/01/26/573820126.db2.gz RUAKPBFNWWZNGD-UHFFFAOYSA-N 0 0 195.247 1.036 10 0 ADAERN CC[C@@H](C)[C@@H](C(=O)[O-])[NH+]1CCCCC1 41050436 573820129 /nfs/dbraw/zinc/82/01/29/573820129.db2.gz BTSGFNGBTWLASO-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](CO)Cc1ccc(O)cc1 87184872 573820131 /nfs/dbraw/zinc/82/01/31/573820131.db2.gz XJHIHJWMPUCRJH-MRVPVSSYSA-N 0 0 166.220 1.563 10 0 ADAERN O=C(c1ccccn1)[C@H]1CCCOC1 225017145 573820152 /nfs/dbraw/zinc/82/01/52/573820152.db2.gz YWENSPKZKXSQRH-VIFPVBQESA-N 0 0 191.230 1.691 10 0 ADAERN CC[C@]1(CO)Cc2cc(F)ccc2N1 258146744 573820171 /nfs/dbraw/zinc/82/01/71/573820171.db2.gz LCKLZHHXHKVVEL-LLVKDONJSA-N 0 0 195.237 1.935 10 0 ADAERN C=Cc1cccc2c1NC(=O)C2 238138063 573820180 /nfs/dbraw/zinc/82/01/80/573820180.db2.gz SARPNPLEXXJELJ-UHFFFAOYSA-N 0 0 159.188 1.824 10 0 ADAERN C=Cc1ccc2o[nH]c(=O)c2c1 238136610 573820186 /nfs/dbraw/zinc/82/01/86/573820186.db2.gz HOTOBLXKOVSUGH-UHFFFAOYSA-N 0 0 161.160 1.764 10 0 ADAERN COCc1ccc(CC(C)=O)cc1O 258148059 573820209 /nfs/dbraw/zinc/82/02/09/573820209.db2.gz TXTPYDQCLYSETG-UHFFFAOYSA-N 0 0 194.230 1.670 10 0 ADAERN CONCCCO[C@H]1CCCCO1 308447377 573820228 /nfs/dbraw/zinc/82/02/28/573820228.db2.gz BXWSQFDGQKUABY-VIFPVBQESA-N 0 0 189.255 1.071 10 0 ADAERN CC(C)(CO)Cc1cccc(O)c1 87184830 573820235 /nfs/dbraw/zinc/82/02/35/573820235.db2.gz CHVJWZOMXAAGHM-UHFFFAOYSA-N 0 0 180.247 1.953 10 0 ADAERN Cc1cc(F)c(CC2(O)CC2)cc1O 258145518 573820242 /nfs/dbraw/zinc/82/02/42/573820242.db2.gz SYZMSJWKEUHOCD-UHFFFAOYSA-N 0 0 196.221 1.907 10 0 ADAERN OCCc1c(F)ccc2c1OCCO2 258148042 573820269 /nfs/dbraw/zinc/82/02/69/573820269.db2.gz TXPKEGAQMNHHJN-UHFFFAOYSA-N 0 0 198.193 1.132 10 0 ADAERN CC[C@H](C)[C@H]([NH2+]C1CC1)C(=O)[O-] 41050210 573820605 /nfs/dbraw/zinc/82/06/05/573820605.db2.gz MQPJFFIBMXZMIR-XPUUQOCRSA-N 0 0 171.240 1.238 10 0 ADAERN CC(=O)Cc1c(C)[nH]c(C)c1C(C)=O 238135801 573820297 /nfs/dbraw/zinc/82/02/97/573820297.db2.gz VKAXMBHDFSTYCA-UHFFFAOYSA-N 0 0 193.246 1.966 10 0 ADAERN OCCc1cc(C(F)F)ccc1O 258145479 573820299 /nfs/dbraw/zinc/82/02/99/573820299.db2.gz SYGWRKKGUVNJST-UHFFFAOYSA-N 0 0 188.173 1.865 10 0 ADAERN CC(=O)Cc1cccc(C)c1N 238137749 573820312 /nfs/dbraw/zinc/82/03/12/573820312.db2.gz TVFKZKNLRCNXEE-UHFFFAOYSA-N 0 0 163.220 1.709 10 0 ADAERN O=C1CC[C@@H](c2ccc(O)cc2)CN1 257883208 573820337 /nfs/dbraw/zinc/82/03/37/573820337.db2.gz HRUKADNBBKMHGL-SECBINFHSA-N 0 0 191.230 1.386 10 0 ADAERN Cn1ccnc1-c1cc(N)ccc1O 238523036 573820338 /nfs/dbraw/zinc/82/03/38/573820338.db2.gz DCFDSHHNZNFFLM-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CC[C@H](C)[C@@H](NN)c1cnc(C)n1C 308447934 573820346 /nfs/dbraw/zinc/82/03/46/573820346.db2.gz BGRKPULEIMSBRQ-OIBJUYFYSA-N 0 0 196.298 1.279 10 0 ADAERN O=C(c1ncccn1)[C@@H]1CCCOC1 225017565 573820354 /nfs/dbraw/zinc/82/03/54/573820354.db2.gz MMQMMKDEMWWXGN-MRVPVSSYSA-N 0 0 192.218 1.086 10 0 ADAERN Cc1cc2oc(C)cc2c(CO)n1 238523313 573820364 /nfs/dbraw/zinc/82/03/64/573820364.db2.gz VFQIZVBXXVVNAP-UHFFFAOYSA-N 0 0 177.203 1.937 10 0 ADAERN CC(C)Oc1cc[nH]c(=O)c1 225016815 573820377 /nfs/dbraw/zinc/82/03/77/573820377.db2.gz HRQGHRVKFJXYAA-UHFFFAOYSA-N 0 0 153.181 1.162 10 0 ADAERN CC(C)C[C@H]1CC=CC(=O)O1 225015910 573820474 /nfs/dbraw/zinc/82/04/74/573820474.db2.gz OLMFREJGYCNLOQ-MRVPVSSYSA-N 0 0 154.209 1.904 10 0 ADAERN OCCc1cnc([C@@H]2CCCOC2)o1 258145919 573820385 /nfs/dbraw/zinc/82/03/85/573820385.db2.gz QDQCYXQIVKAQEM-MRVPVSSYSA-N 0 0 197.234 1.103 10 0 ADAERN CC(C)(C)C1=CC[C@@H]1O 238137826 573820388 /nfs/dbraw/zinc/82/03/88/573820388.db2.gz FVIAYKDDDSEBOU-ZETCQYMHSA-N 0 0 126.199 1.724 10 0 ADAERN CC(C)Cc1nc2c(o1)CC[C@@H](O)C2 258146222 573820392 /nfs/dbraw/zinc/82/03/92/573820392.db2.gz XRZRFNZTNMAJDF-MRVPVSSYSA-N 0 0 195.262 1.723 10 0 ADAERN OCCc1cnc([C@H]2CCCOC2)o1 258145924 573820396 /nfs/dbraw/zinc/82/03/96/573820396.db2.gz QDQCYXQIVKAQEM-QMMMGPOBSA-N 0 0 197.234 1.103 10 0 ADAERN CCCC(C)(C)N[C@@H]1C[C@H](C)OC1=O 308749754 573820407 /nfs/dbraw/zinc/82/04/07/573820407.db2.gz TVLMGBLWVWCFAU-DTWKUNHWSA-N 0 0 199.294 1.859 10 0 ADAERN C[C@]12CC[C@@]1(C)OC(=O)N2 238524111 573820410 /nfs/dbraw/zinc/82/04/10/573820410.db2.gz PSJIUGMPHUTZQD-NKWVEPMBSA-N 0 0 141.170 1.037 10 0 ADAERN Cn1nc(C2CC2)c2ccc(F)nc21 238524465 573820418 /nfs/dbraw/zinc/82/04/18/573820418.db2.gz LKKZJJWWVOWRSM-UHFFFAOYSA-N 0 0 191.209 1.985 10 0 ADAERN C[C@H]1CCc2nc(CCCO)cn2C1 258146316 573820494 /nfs/dbraw/zinc/82/04/94/573820494.db2.gz DFRVZPWCWGEARS-VIFPVBQESA-N 0 0 194.278 1.390 10 0 ADAERN C=Cc1ccc2c(c1C=O)OCO2 238136353 573820503 /nfs/dbraw/zinc/82/05/03/573820503.db2.gz XTSBJCOAEZENDG-UHFFFAOYSA-N 0 0 176.171 1.871 10 0 ADAERN CC[C@H](C)[N@@H+]1CCC/C(=C/C(=O)[O-])C1 259202789 573820504 /nfs/dbraw/zinc/82/05/04/573820504.db2.gz NDUQAYCXKWIKAZ-CBFJXKFUSA-N 0 0 197.278 1.892 10 0 ADAERN CC[C@@H](C(=O)CC(C)C)C(=O)OC 43502436 573820569 /nfs/dbraw/zinc/82/05/69/573820569.db2.gz GHTHEJXSMFNPEI-QMMMGPOBSA-N 0 0 186.251 1.801 10 0 ADAERN CC[C@H](C)[C@@H]([NH2+]CC(C)C)C(=O)[O-] 41050332 573820536 /nfs/dbraw/zinc/82/05/36/573820536.db2.gz MXLCEJWGYZUSKT-DTWKUNHWSA-N 0 0 187.283 1.731 10 0 ADAERN CC(=O)OC12CCC(C)(CC1)[C@@H](O)C2 238135079 573820549 /nfs/dbraw/zinc/82/05/49/573820549.db2.gz XLPDQHMZBJUYKH-WHXUTIOJSA-N 0 0 198.262 1.633 10 0 ADAERN CC[C@@H](C)[C@H](NN)c1cnc(C)n1C 308447935 573822309 /nfs/dbraw/zinc/82/23/09/573822309.db2.gz BGRKPULEIMSBRQ-XCBNKYQSSA-N 0 0 196.298 1.279 10 0 ADAERN CCc1[nH]c(=O)[nH]c1C(C)(C)C 258435391 573821723 /nfs/dbraw/zinc/82/17/23/573821723.db2.gz DMAHWEDMHSOODU-UHFFFAOYSA-N 0 0 168.240 1.975 10 0 ADAERN Nc1n[nH]cc1Sc1ccncc1 87196323 573821726 /nfs/dbraw/zinc/82/17/26/573821726.db2.gz RXANGBJUIRGMFI-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN CC[C@H](C)[C@H](NC1CC1)C(=O)OC 41050230 573821732 /nfs/dbraw/zinc/82/17/32/573821732.db2.gz QUXVQAVHYAUSBT-CBAPKCEASA-N 0 0 185.267 1.326 10 0 ADAERN CCN1COc2cc(C)c(O)cc2C1 143485683 573821744 /nfs/dbraw/zinc/82/17/44/573821744.db2.gz IFGFIHNYZRAOCY-UHFFFAOYSA-N 0 0 193.246 1.872 10 0 ADAERN CCCn1ncc(SC)c1N 87196148 573822323 /nfs/dbraw/zinc/82/23/23/573822323.db2.gz JLAIMQJXHGWTDF-UHFFFAOYSA-N 0 0 171.269 1.597 10 0 ADAERN CO[C@@]1(CO)CCc2cc(C)ccc21 257883418 573822327 /nfs/dbraw/zinc/82/23/27/573822327.db2.gz VUZMPMVBQMTNAD-GFCCVEGCSA-N 0 0 192.258 1.775 10 0 ADAERN Cc1cc(F)c(C(F)F)nc1CO 238523317 573821613 /nfs/dbraw/zinc/82/16/13/573821613.db2.gz NRQBEEFNGLMQEN-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC(=O)NC(=O)CCC(C)C 238136028 573821454 /nfs/dbraw/zinc/82/14/54/573821454.db2.gz XFQLCCMPOWBBLI-UHFFFAOYSA-N 0 0 157.213 1.085 10 0 ADAERN Cc1noc([C@@H]2CCC[NH2+]2)c1C(=O)[O-] 257883414 573821464 /nfs/dbraw/zinc/82/14/64/573821464.db2.gz VUWDXQYENFQMSM-LURJTMIESA-N 0 0 196.206 1.106 10 0 ADAERN Brc1nnn2ccccc12 84312916 573821488 /nfs/dbraw/zinc/82/14/88/573821488.db2.gz ZXHOKEWQPRHXEC-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN CNOCCC[C@H]1CCSC1 257883648 573821494 /nfs/dbraw/zinc/82/14/94/573821494.db2.gz FSKHLHTZQFVHEI-QMMMGPOBSA-N 0 0 175.297 1.671 10 0 ADAERN CONCCCO[C@@H]1CCCCO1 308447376 573821508 /nfs/dbraw/zinc/82/15/08/573821508.db2.gz BXWSQFDGQKUABY-SECBINFHSA-N 0 0 189.255 1.071 10 0 ADAERN OCCc1cccc2c1NCCC2 257883295 573821511 /nfs/dbraw/zinc/82/15/11/573821511.db2.gz MIFMBHZELIVVKI-UHFFFAOYSA-N 0 0 177.247 1.580 10 0 ADAERN Cc1noc([C@H]2CCC[NH2+]2)c1C(=O)[O-] 257883416 573821513 /nfs/dbraw/zinc/82/15/13/573821513.db2.gz VUWDXQYENFQMSM-ZCFIWIBFSA-N 0 0 196.206 1.106 10 0 ADAERN CC(C)(F)c1ncc(O)cn1 238136347 573821523 /nfs/dbraw/zinc/82/15/23/573821523.db2.gz FILHMPQSMFBCQM-UHFFFAOYSA-N 0 0 156.160 1.387 10 0 ADAERN CC(C)[NH2+][C@@H](C(=O)[O-])C(C)(C)C 41051782 573821538 /nfs/dbraw/zinc/82/15/38/573821538.db2.gz JJVOHOGSRFRWSD-ZETCQYMHSA-N 0 0 173.256 1.484 10 0 ADAERN CCCSc1cnoc1N 87196230 573821546 /nfs/dbraw/zinc/82/15/46/573821546.db2.gz LZIXYGQHMCTKEE-UHFFFAOYSA-N 0 0 158.226 1.759 10 0 ADAERN COc1ccc(C)c(F)c1CCON 258148590 573821584 /nfs/dbraw/zinc/82/15/84/573821584.db2.gz OOGUVVBDOQRMPZ-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN CC(C)C[C@@H]1CC=CC(=O)O1 225015863 573821593 /nfs/dbraw/zinc/82/15/93/573821593.db2.gz OLMFREJGYCNLOQ-QMMMGPOBSA-N 0 0 154.209 1.904 10 0 ADAERN CC(=O)Cc1ncnc2cc[nH]c12 238138971 573821602 /nfs/dbraw/zinc/82/16/02/573821602.db2.gz SOHVQJKPPDYPLQ-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN Nc1cc2c(nc1Cl)NCC2 258435406 573821605 /nfs/dbraw/zinc/82/16/05/573821605.db2.gz DMKKUPPIGYWFSQ-UHFFFAOYSA-N 0 0 169.615 1.285 10 0 ADAERN COCc1ccc(CCON)c(F)c1 258146382 573821607 /nfs/dbraw/zinc/82/16/07/573821607.db2.gz OIOHOJLMPWYGDW-UHFFFAOYSA-N 0 0 199.225 1.405 10 0 ADAERN CC[C@H](C)[NH2+][C@H](C(=O)[O-])[C@@H](C)CC 41050378 573821621 /nfs/dbraw/zinc/82/16/21/573821621.db2.gz KTZSXMYBOSXKEN-CIUDSAMLSA-N 0 0 187.283 1.874 10 0 ADAERN Cc1c(N)cccc1[C@@H]1CNC(=O)C1 238524287 573821623 /nfs/dbraw/zinc/82/16/23/573821623.db2.gz FCBKBHKYKAGXIN-QMMMGPOBSA-N 0 0 190.246 1.181 10 0 ADAERN CN[C@@H](C)c1noc([C@H]2CCCO2)n1 258146571 573821652 /nfs/dbraw/zinc/82/16/52/573821652.db2.gz VTFSQIIIPMHSFQ-NKWVEPMBSA-N 0 0 197.238 1.202 10 0 ADAERN C[C@H]1NCN(CC2(C)CCCC2)C1=O 125183796 573821663 /nfs/dbraw/zinc/82/16/63/573821663.db2.gz ZOAQOXCQYAIDPO-SECBINFHSA-N 0 0 196.294 1.345 10 0 ADAERN C=Cc1ccc([C@H]2C[NH2+]CCN2)cc1 238135317 573821676 /nfs/dbraw/zinc/82/16/76/573821676.db2.gz ASEHGMXLWLDTKM-GFCCVEGCSA-N 0 0 188.274 1.564 10 0 ADAERN CSc1cnn(C(C)C)c1N 87196146 573824306 /nfs/dbraw/zinc/82/43/06/573824306.db2.gz AFZRBBBEASNUQZ-UHFFFAOYSA-N 0 0 171.269 1.768 10 0 ADAERN CCC[C@H](C)C(=O)N[C@H](C)[C@H](C)O 393592695 573821679 /nfs/dbraw/zinc/82/16/79/573821679.db2.gz XPMWPLNAPQAJIE-YIZRAAEISA-N 0 0 187.283 1.308 10 0 ADAERN CCN(C(=O)NOC)[C@@H](C)C(C)C 308447229 573821682 /nfs/dbraw/zinc/82/16/82/573821682.db2.gz BVJVIQBKWJVNJE-QMMMGPOBSA-N 0 0 188.271 1.624 10 0 ADAERN CCN[C@@H](C(=O)OCC)C(C)(C)C 41051792 573821686 /nfs/dbraw/zinc/82/16/86/573821686.db2.gz RQWNNTHJGWIFRB-QMMMGPOBSA-N 0 0 187.283 1.574 10 0 ADAERN CC(=O)Cc1cncc(N)c1Cl 238138469 573821700 /nfs/dbraw/zinc/82/17/00/573821700.db2.gz GXNMWVUYSOEGDJ-UHFFFAOYSA-N 0 0 184.626 1.449 10 0 ADAERN Cc1cc2occc2c(CO)n1 238523932 573821754 /nfs/dbraw/zinc/82/17/54/573821754.db2.gz NXVBXASCQDAYDH-UHFFFAOYSA-N 0 0 163.176 1.629 10 0 ADAERN COc1c(F)ccc(F)c1CON 258147766 573821769 /nfs/dbraw/zinc/82/17/69/573821769.db2.gz TTXLVUWIXVBJTL-UHFFFAOYSA-N 0 0 189.161 1.364 10 0 ADAERN CC(C)(O)c1cccc2oc(=O)[nH]c12 258147834 573821801 /nfs/dbraw/zinc/82/18/01/573821801.db2.gz TVKIFTRWMPSCSJ-UHFFFAOYSA-N 0 0 193.202 1.761 10 0 ADAERN CO[C@H](C)Cc1ccc(CCO)cc1 258145521 573821809 /nfs/dbraw/zinc/82/18/09/573821809.db2.gz SZBGWNCLSORUNJ-SNVBAGLBSA-N 0 0 194.274 1.799 10 0 ADAERN Cn1ccnc1-c1ccc(CO)o1 238523243 573821819 /nfs/dbraw/zinc/82/18/19/573821819.db2.gz AMYSIAKMANQBPB-UHFFFAOYSA-N 0 0 178.191 1.172 10 0 ADAERN Oc1ccc([C@@]2(O)CCCOC2)cc1 257883512 573821842 /nfs/dbraw/zinc/82/18/42/573821842.db2.gz VWVGRGRJOGCOAP-LLVKDONJSA-N 0 0 194.230 1.390 10 0 ADAERN CCC[C@H](C)C(=O)N[C@@H](C)[C@@H](C)O 393592693 573821867 /nfs/dbraw/zinc/82/18/67/573821867.db2.gz XPMWPLNAPQAJIE-XHNCKOQMSA-N 0 0 187.283 1.308 10 0 ADAERN CCc1[nH]c(CO)nc1CC(C)C 257883312 573821876 /nfs/dbraw/zinc/82/18/76/573821876.db2.gz MJDQEBABPKRSHO-UHFFFAOYSA-N 0 0 182.267 1.663 10 0 ADAERN CC[C@H](C)[NH2+][C@@H](C(=O)[O-])C(C)(C)C 41051897 573821877 /nfs/dbraw/zinc/82/18/77/573821877.db2.gz ZYZSXYUAQULPBZ-YUMQZZPRSA-N 0 0 187.283 1.874 10 0 ADAERN Cc1ccc2c(c1)OCC[C@@]2(C)O 238523761 573821898 /nfs/dbraw/zinc/82/18/98/573821898.db2.gz NRIBZQOWHQHXPU-LLVKDONJSA-N 0 0 178.231 1.985 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H](O)C(=O)O2)cc1 238523717 573821911 /nfs/dbraw/zinc/82/19/11/573821911.db2.gz ZOLOGWNSVKTPMN-ZJUUUORDSA-N 0 0 192.214 1.344 10 0 ADAERN Cc1nn(C)c(C)c1C1CC(=O)C1 87199163 573821947 /nfs/dbraw/zinc/82/19/47/573821947.db2.gz WXEYBSBWMQBRPQ-UHFFFAOYSA-N 0 0 178.235 1.483 10 0 ADAERN CCn1cc([C@H](O)COC(C)C)cn1 87199053 573821953 /nfs/dbraw/zinc/82/19/53/573821953.db2.gz XGUKJDNGYWXPCU-SNVBAGLBSA-N 0 0 198.266 1.361 10 0 ADAERN CCC[C@H](C)C(=O)N[C@@H](C)[C@H](C)O 393592690 573821978 /nfs/dbraw/zinc/82/19/78/573821978.db2.gz XPMWPLNAPQAJIE-CIUDSAMLSA-N 0 0 187.283 1.308 10 0 ADAERN CC[C@H](C)[C@@H](NC1CC1)C(=O)OC 41050232 573821979 /nfs/dbraw/zinc/82/19/79/573821979.db2.gz QUXVQAVHYAUSBT-IONNQARKSA-N 0 0 185.267 1.326 10 0 ADAERN O=C1O/C(=C\CCO)c2ccccc21 308447440 573821981 /nfs/dbraw/zinc/82/19/81/573821981.db2.gz NQZSUACQSWGMTH-POHAHGRESA-N 0 0 190.198 1.580 10 0 ADAERN Cc1ccc2c(=O)cc(N)[nH]c2c1 238523598 573821993 /nfs/dbraw/zinc/82/19/93/573821993.db2.gz VXTXWULQGLTDSX-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN CCCc1nc2cc(C=O)ccn2n1 257885469 573821997 /nfs/dbraw/zinc/82/19/97/573821997.db2.gz CWIKKTYBSFEHKZ-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN CCOC(=O)[C@@H](NC)C(C)(C)C 41051797 573822030 /nfs/dbraw/zinc/82/20/30/573822030.db2.gz KYGHTRWNSOVVIY-SSDOTTSWSA-N 0 0 173.256 1.184 10 0 ADAERN C[N@@H+]1CCC/C(=C/C=C\C(=O)[O-])CC1 308446898 573822089 /nfs/dbraw/zinc/82/20/89/573822089.db2.gz JLDQFYYFHGJLGZ-QPUPAZQPSA-N 0 0 195.262 1.669 10 0 ADAERN Cc1cccc(-c2ccc(CO)[nH]2)n1 238523028 573822174 /nfs/dbraw/zinc/82/21/74/573822174.db2.gz ZMHHHKOEEBOTSH-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN CC1(c2cccc(C=O)c2)COC1 143486343 573822211 /nfs/dbraw/zinc/82/22/11/573822211.db2.gz SPXWZYTWGLZISV-UHFFFAOYSA-N 0 0 176.215 1.787 10 0 ADAERN CC[C@@H](C)[C@H](NC1CC1)C(=O)OC 41050229 573822218 /nfs/dbraw/zinc/82/22/18/573822218.db2.gz QUXVQAVHYAUSBT-APPZFPTMSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@@H](COC1C[NH2+]C1)CC(F)F 688750522 573822220 /nfs/dbraw/zinc/82/22/20/573822220.db2.gz YQPYOUXPTVMMNZ-ZCFIWIBFSA-N 0 0 179.210 1.266 10 0 ADAERN C[C@@]12C=CCC(=O)[C@H]1CC2 238523480 573822223 /nfs/dbraw/zinc/82/22/23/573822223.db2.gz KDEDTBZUCWIUOJ-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@]12CC[C@@H]1C(=O)CCC2=O 238523497 573822239 /nfs/dbraw/zinc/82/22/39/573822239.db2.gz UMJOTSOXLNWHTM-MUWHJKNJSA-N 0 0 152.193 1.335 10 0 ADAERN O=C1CO[C@@H](c2ccc(Cl)cc2)N1 238523017 573822291 /nfs/dbraw/zinc/82/22/91/573822291.db2.gz LGFKNDJLLPFZDB-VIFPVBQESA-N 0 0 197.621 1.485 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[NH+]1CCCCC1 41050437 573822258 /nfs/dbraw/zinc/82/22/58/573822258.db2.gz BTSGFNGBTWLASO-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CC1(C)CCCCNC1=O 84307513 573822354 /nfs/dbraw/zinc/82/23/54/573822354.db2.gz SUAYFXXKXPMDMH-UHFFFAOYSA-N 0 0 141.214 1.313 10 0 ADAERN CCOC(=O)c1n[nH]c2c1C[C@H]1C[C@@H]21 143485371 573822362 /nfs/dbraw/zinc/82/23/62/573822362.db2.gz IETHOCPPFVXWDU-PHDIDXHHSA-N 0 0 192.218 1.246 10 0 ADAERN Cn1c(=O)ccc2ccc(CO)cc21 238524663 573824263 /nfs/dbraw/zinc/82/42/63/573824263.db2.gz UWPNCOIUJCZXKO-UHFFFAOYSA-N 0 0 189.214 1.031 10 0 ADAERN OCCC[C@H](CO)Cc1ccccc1 223545328 573824281 /nfs/dbraw/zinc/82/42/81/573824281.db2.gz QWQJRSYCBKHDCL-LBPRGKRZSA-N 0 0 194.274 1.610 10 0 ADAERN CC(C)=CC1=NO[C@](C)(CCO)C1 238140247 573824287 /nfs/dbraw/zinc/82/42/87/573824287.db2.gz JPIVFDGELHNZAO-SNVBAGLBSA-N 0 0 183.251 1.870 10 0 ADAERN CC(C)SC(=O)c1cnn(C)c1N 257884712 573824218 /nfs/dbraw/zinc/82/42/18/573824218.db2.gz HWCXPIWFDCTVIH-UHFFFAOYSA-N 0 0 199.279 1.284 10 0 ADAERN C[C@]12CC(=O)OC1=CCCC2=O 222711637 573823908 /nfs/dbraw/zinc/82/39/08/573823908.db2.gz NMXKTSBWUVVVRL-SECBINFHSA-N 0 0 166.176 1.186 10 0 ADAERN CC(=O)C[C@H]1N=CNc2ccccc21 238131234 573823909 /nfs/dbraw/zinc/82/39/09/573823909.db2.gz XQBJRLRHNQDSPG-LLVKDONJSA-N 0 0 188.230 1.970 10 0 ADAERN COc1c([C@@H](O)C2CC2)c(C)nn1C 87198646 573823913 /nfs/dbraw/zinc/82/39/13/573823913.db2.gz YQRPWBMATDAART-VIFPVBQESA-N 0 0 196.250 1.181 10 0 ADAERN Cn1c(=O)cnc2c(Cl)cccc21 238525033 573823916 /nfs/dbraw/zinc/82/39/16/573823916.db2.gz UDWJEIOYIBPCLA-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN CC(C)=CC(=O)N[C@H](CO)C1CCC1 717667391 573823941 /nfs/dbraw/zinc/82/39/41/573823941.db2.gz ZYGQAEVLRDDRJT-SNVBAGLBSA-N 0 0 197.278 1.230 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)CCN2 257884075 573823951 /nfs/dbraw/zinc/82/39/51/573823951.db2.gz KGEOBUWBMIHVRK-QMMMGPOBSA-N 0 0 177.247 1.750 10 0 ADAERN C[Si](C)(C)CC[C@@H]1CC(N)=NO1 238524959 573823957 /nfs/dbraw/zinc/82/39/57/573823957.db2.gz CUKUWJODIGSBEG-SSDOTTSWSA-N 0 0 186.331 1.776 10 0 ADAERN COCCc1ncc2n1C[C@H](C)CC2 258436329 573823965 /nfs/dbraw/zinc/82/39/65/573823965.db2.gz WLCVSYNQUAGPJV-SECBINFHSA-N 0 0 194.278 1.654 10 0 ADAERN OC1CC(c2nccs2)C1 87200270 573823976 /nfs/dbraw/zinc/82/39/76/573823976.db2.gz BJYWILCFBGHKFL-UHFFFAOYSA-N 0 0 155.222 1.381 10 0 ADAERN Clc1ncnc2[nH]ccc12 238526044 573823981 /nfs/dbraw/zinc/82/39/81/573823981.db2.gz ASIWMCZNDFKVSL-UHFFFAOYSA-N 0 0 153.572 1.388 10 0 ADAERN Cc1ccc2cc(CO)cn2n1 238525879 573824009 /nfs/dbraw/zinc/82/40/09/573824009.db2.gz UVVQRFJQAQAZBL-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN COc1cc([C@@H](C)[C@H](C)O)oc(=O)c1 198593293 573824015 /nfs/dbraw/zinc/82/40/15/573824015.db2.gz YHUYXKZLGRZKAJ-BQBZGAKWSA-N 0 0 198.218 1.133 10 0 ADAERN COc1cc([C@H](C)[C@@H](C)O)oc(=O)c1 198593244 573824079 /nfs/dbraw/zinc/82/40/79/573824079.db2.gz YHUYXKZLGRZKAJ-RNFRBKRXSA-N 0 0 198.218 1.133 10 0 ADAERN COc1c([C@H](O)C2CC2)c(C)nn1C 87198643 573824081 /nfs/dbraw/zinc/82/40/81/573824081.db2.gz YQRPWBMATDAART-SECBINFHSA-N 0 0 196.250 1.181 10 0 ADAERN CC(C)Sc1cnoc1N 87196232 573824086 /nfs/dbraw/zinc/82/40/86/573824086.db2.gz YZTPZANVAIPHCS-UHFFFAOYSA-N 0 0 158.226 1.757 10 0 ADAERN CCCC[C@@H](NCC)C(=O)OC 41053353 573824232 /nfs/dbraw/zinc/82/42/32/573824232.db2.gz XSMQCWJFPDMSIP-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CC[C@H]([C@@H]([NH3+])CC(=O)[O-])[C@H](C)C1CC1 308444872 573824116 /nfs/dbraw/zinc/82/41/16/573824116.db2.gz KFZYLKCEQHWUGI-JEZHCXPESA-N 0 0 199.294 1.861 10 0 ADAERN Cc1[nH]c(=O)c2cc(O)ccc2c1O 238526328 573824120 /nfs/dbraw/zinc/82/41/20/573824120.db2.gz SJIFODJVDOJQQH-UHFFFAOYSA-N 0 0 191.186 1.660 10 0 ADAERN CC(C)CNC(=S)c1cnccn1 238129258 573824132 /nfs/dbraw/zinc/82/41/32/573824132.db2.gz VVYVMTUZINPGKP-UHFFFAOYSA-N 0 0 195.291 1.398 10 0 ADAERN Cn1nc(N)c(-c2ccccc2)n1 238525562 573824134 /nfs/dbraw/zinc/82/41/34/573824134.db2.gz YDTKPTRQVQQGGP-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC1(C)CC(=O)c2sc(=O)[nH]c2C1 84324811 573824136 /nfs/dbraw/zinc/82/41/36/573824136.db2.gz UOIKHNCWWLCASK-UHFFFAOYSA-N 0 0 197.259 1.592 10 0 ADAERN O=Cc1coc2c(Cl)ncnc12 238526473 573824140 /nfs/dbraw/zinc/82/41/40/573824140.db2.gz GDYZRIVUNIQRND-UHFFFAOYSA-N 0 0 182.566 1.689 10 0 ADAERN C=Cn1ccnc1-c1c[nH]cn1 238139579 573824234 /nfs/dbraw/zinc/82/42/34/573824234.db2.gz BBXSFZATDYXSDU-UHFFFAOYSA-N 0 0 160.180 1.374 10 0 ADAERN NN[C@@H](C[C@@H]1CCCO1)c1ccc[nH]1 308445611 573824162 /nfs/dbraw/zinc/82/41/62/573824162.db2.gz AFFJMSWMVVGIKI-WPRPVWTQSA-N 0 0 195.266 1.088 10 0 ADAERN CC(=O)c1cc(C)cc(N)n1 238131342 573824163 /nfs/dbraw/zinc/82/41/63/573824163.db2.gz DIJMLACVLSBRJW-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN CN1Cc2cc(C=O)ccc2NC1=O 84324928 573824325 /nfs/dbraw/zinc/82/43/25/573824325.db2.gz USTSAZAAPPDKIC-UHFFFAOYSA-N 0 0 190.202 1.476 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)C[C@H]1C[C@H]1C 308445344 573825202 /nfs/dbraw/zinc/82/52/02/573825202.db2.gz AYXCZFPFULFYER-KYXWUPHJSA-N 0 0 181.279 1.947 10 0 ADAERN NN[C@H](C[C@@H]1CCCO1)c1ccc[nH]1 308445607 573825215 /nfs/dbraw/zinc/82/52/15/573825215.db2.gz AFFJMSWMVVGIKI-WCBMZHEXSA-N 0 0 195.266 1.088 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)C[C@@H]1C[C@H]1C 308445326 573825223 /nfs/dbraw/zinc/82/52/23/573825223.db2.gz AYXCZFPFULFYER-IMSYWVGJSA-N 0 0 181.279 1.947 10 0 ADAERN CC(=O)C[C@H]1CCC[C@H]1NC(C)=O 238129943 573825232 /nfs/dbraw/zinc/82/52/32/573825232.db2.gz XRHZLRSUMSYWJV-NXEZZACHSA-N 0 0 183.251 1.270 10 0 ADAERN CC(C)(C)Sc1nccc(=O)[nH]1 238129011 573825241 /nfs/dbraw/zinc/82/52/41/573825241.db2.gz OELVDODGCSHHRV-UHFFFAOYSA-N 0 0 184.264 1.661 10 0 ADAERN CCCC[C@@H](NC1CC1)C(=O)OCC 41053367 573825135 /nfs/dbraw/zinc/82/51/35/573825135.db2.gz HQBQVUPKOJBTKJ-SNVBAGLBSA-N 0 0 199.294 1.860 10 0 ADAERN CC1(C)C[C@@H]2C[C@@H]2C1=O 84324894 573825155 /nfs/dbraw/zinc/82/51/55/573825155.db2.gz WUGZNALGTHIYTI-WDSKDSINSA-N 0 0 124.183 1.622 10 0 ADAERN CCCCCO[C@H](C)C(N)=S 43515292 573825165 /nfs/dbraw/zinc/82/51/65/573825165.db2.gz FXVJCSFGUXXSMA-SSDOTTSWSA-N 0 0 175.297 1.868 10 0 ADAERN Cc1ccc2cc(F)c(=O)[nH]c2c1 238526124 573825179 /nfs/dbraw/zinc/82/51/79/573825179.db2.gz LHVLNZOUVZQWQS-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN COCc1nn(C)cc1NCC1CC1 308750519 573825181 /nfs/dbraw/zinc/82/51/81/573825181.db2.gz UERROBHSWCCLCY-UHFFFAOYSA-N 0 0 195.266 1.388 10 0 ADAERN CCCN[C@@H](COC)c1coc(C)n1 308445083 573825183 /nfs/dbraw/zinc/82/51/83/573825183.db2.gz AELUYEYCOPFEGX-VIFPVBQESA-N 0 0 198.266 1.670 10 0 ADAERN CC(C)C[C@H](O)[C@]1(C)CCCO1 87227255 573832851 /nfs/dbraw/zinc/83/28/51/573832851.db2.gz KAPSUBWDDWGCAA-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C)[C@@H](CO)Nc1cccnn1 308752593 573827730 /nfs/dbraw/zinc/82/77/30/573827730.db2.gz VALSSUAPGJFVSK-DTWKUNHWSA-N 0 0 195.266 1.296 10 0 ADAERN Cc1nc2c(ccc3nnn(C)c32)[nH]1 238524630 573826865 /nfs/dbraw/zinc/82/68/65/573826865.db2.gz WUGKLMQSQVIQJO-UHFFFAOYSA-N 0 0 187.206 1.153 10 0 ADAERN CC(C)=CC1=C(Cl)C(=O)O[C@@H]1O 238139585 573826883 /nfs/dbraw/zinc/82/68/83/573826883.db2.gz XTCVOHSHCASLAG-ZETCQYMHSA-N 0 0 188.610 1.321 10 0 ADAERN Cc1[nH]c(=O)c2ccc(O)cc2c1O 238526349 573826888 /nfs/dbraw/zinc/82/68/88/573826888.db2.gz LVIAAFINCYFWAT-UHFFFAOYSA-N 0 0 191.186 1.660 10 0 ADAERN CC(=O)S[C@@H]1NC(=S)CS1 238131358 573826890 /nfs/dbraw/zinc/82/68/90/573826890.db2.gz JNJLVKNTZCMLEJ-RXMQYKEDSA-N 0 0 193.318 1.214 10 0 ADAERN C[C@@H](Cc1ccc(F)cc1)ON 259573037 573828876 /nfs/dbraw/zinc/82/88/76/573828876.db2.gz XZQHCNVXEDMVTG-ZETCQYMHSA-N 0 0 169.199 1.647 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CCCNC1=O 238130973 573826896 /nfs/dbraw/zinc/82/68/96/573826896.db2.gz JKAKKCPKWPDWQU-ZETCQYMHSA-N 0 0 183.251 1.128 10 0 ADAERN C[N@@H+]1CCC(C)(C)[C@H](CC(=O)[O-])C1 259205359 573826900 /nfs/dbraw/zinc/82/69/00/573826900.db2.gz JGVZBCBMFXLECP-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)CCN2 257884073 573826912 /nfs/dbraw/zinc/82/69/12/573826912.db2.gz KGEOBUWBMIHVRK-MRVPVSSYSA-N 0 0 177.247 1.750 10 0 ADAERN O=Cc1cc([C@H]2CCCCO2)on1 259204923 573826922 /nfs/dbraw/zinc/82/69/22/573826922.db2.gz KXYHTMDWNRNFRM-MRVPVSSYSA-N 0 0 181.191 1.729 10 0 ADAERN COCCCC[C@@]1(CO)CCOC1 131411559 573826924 /nfs/dbraw/zinc/82/69/24/573826924.db2.gz PPIDXHURMAGMKW-JTQLQIEISA-N 0 0 188.267 1.202 10 0 ADAERN Cc1nc(CO)c(C(F)F)cc1O 238526832 573828946 /nfs/dbraw/zinc/82/89/46/573828946.db2.gz JIVWJXCAHHCSTO-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(C)(C)n1c(C=O)ccc1C=O 238148384 573828948 /nfs/dbraw/zinc/82/89/48/573828948.db2.gz RCABPSBEHFCKQY-UHFFFAOYSA-N 0 0 179.219 1.868 10 0 ADAERN Cc1cc([Si](C)(C)C)c[nH]c1=O 238526333 573826946 /nfs/dbraw/zinc/82/69/46/573826946.db2.gz YOMRLOYULOUOHL-UHFFFAOYSA-N 0 0 181.311 1.229 10 0 ADAERN Cc1cc2nc(C)[nH]c(=S)c2[nH]1 238527496 573829322 /nfs/dbraw/zinc/82/93/22/573829322.db2.gz OKJFAEFNVNUAJE-UHFFFAOYSA-N 0 0 179.248 1.863 10 0 ADAERN CC(=O)N1CCC(=O)C[C@@H]1C(C)(C)C 238148695 573829323 /nfs/dbraw/zinc/82/93/23/573829323.db2.gz JVNAWFAQDNQTDJ-SNVBAGLBSA-N 0 0 197.278 1.613 10 0 ADAERN CCN1C[C@H](CC(C)C)N(C)C1=O 259205710 573829326 /nfs/dbraw/zinc/82/93/26/573829326.db2.gz BIEWBHSXZMZUCU-VIFPVBQESA-N 0 0 184.283 1.788 10 0 ADAERN OC[C@H]1CCCC[C@H]1Cn1cnnc1 84319904 573827744 /nfs/dbraw/zinc/82/77/44/573827744.db2.gz RSOQMNKXKCNGIH-VHSXEESVSA-N 0 0 195.266 1.077 10 0 ADAERN CCCC[C@H](NCC)C(=O)OC 41053352 573827749 /nfs/dbraw/zinc/82/77/49/573827749.db2.gz XSMQCWJFPDMSIP-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN COCC[C@@H](C)N1CCCC(=O)C1 162355903 573827772 /nfs/dbraw/zinc/82/77/72/573827772.db2.gz LDRSSSIBMXSIDV-SECBINFHSA-N 0 0 185.267 1.076 10 0 ADAERN COC(=O)[C@H](F)c1cccc(OC)c1 257884693 573827819 /nfs/dbraw/zinc/82/78/19/573827819.db2.gz WBJWUDHFZSIDER-SECBINFHSA-N 0 0 198.193 1.879 10 0 ADAERN Cc1ccc2ccc(=O)ccc2n1 238527107 573829330 /nfs/dbraw/zinc/82/93/30/573829330.db2.gz XOHLAEVNBKJBQU-UHFFFAOYSA-N 0 0 171.199 1.903 10 0 ADAERN CC[C@@H](O)c1ccc(O)cc1N 258515223 573829332 /nfs/dbraw/zinc/82/93/32/573829332.db2.gz LUQGCLSTDJKBCT-SECBINFHSA-N 0 0 167.208 1.418 10 0 ADAERN C/C=C/CCNC(=O)[C@@H]1CCSC1 131400691 573827839 /nfs/dbraw/zinc/82/78/39/573827839.db2.gz CBCLLJDXTWCGFZ-GKQMSVHHSA-N 0 0 199.319 1.822 10 0 ADAERN O=C1CCC(O)(c2ccco2)CC1 84323155 573827877 /nfs/dbraw/zinc/82/78/77/573827877.db2.gz OKBJBWVKKNEYSC-UHFFFAOYSA-N 0 0 180.203 1.610 10 0 ADAERN S=c1ccc2nccnc2[nH]1 87200721 573827880 /nfs/dbraw/zinc/82/78/80/573827880.db2.gz AGYMWPXJGREUJI-UHFFFAOYSA-N 0 0 163.205 1.314 10 0 ADAERN CC(C)C(c1nnc(C[NH3+])[nH]1)C(C)C 308445013 573827891 /nfs/dbraw/zinc/82/78/91/573827891.db2.gz ABTVWDIKBDWUBW-UHFFFAOYSA-N 0 0 196.298 1.659 10 0 ADAERN O=C1[C@H](F)Cc2cc3ncccc3n21 238531354 573827913 /nfs/dbraw/zinc/82/79/13/573827913.db2.gz FPDFGRYMLCPFIJ-SSDOTTSWSA-N 0 0 190.177 1.571 10 0 ADAERN C[S@@](N)(=O)=N[C@@H]1[C@H]2CCCC[C@H]21 404789094 573827923 /nfs/dbraw/zinc/82/79/23/573827923.db2.gz KHNVKPUZOWURFJ-FCGKXJCRSA-N 0 0 188.296 1.147 10 0 ADAERN O=C1CCCNN1CCC1CCCC1 257884572 573827938 /nfs/dbraw/zinc/82/79/38/573827938.db2.gz VZWLYBMJWQAJOV-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN Cn1ncc2[nH]c(=S)sc2c1=O 238533211 573833232 /nfs/dbraw/zinc/83/32/32/573833232.db2.gz NWUVKTNCHKSPBL-UHFFFAOYSA-N 0 0 199.260 1.053 10 0 ADAERN CCO[C@H](c1noc(CN)n1)C(C)C 131222521 573827964 /nfs/dbraw/zinc/82/79/64/573827964.db2.gz FAHARDCYXUFQSO-QMMMGPOBSA-N 0 0 199.254 1.262 10 0 ADAERN C[C@H]1CC[C@@](C[NH3+])(CC(=O)[O-])CC1 100805071 573827970 /nfs/dbraw/zinc/82/79/70/573827970.db2.gz ZMQXNOCRKMCKKX-CZMCAQCFSA-N 0 0 185.267 1.616 10 0 ADAERN CCc1ccc(S(C)(=O)=O)c(N)c1 257884859 573827972 /nfs/dbraw/zinc/82/79/72/573827972.db2.gz SNIKBWUDIVXWKQ-UHFFFAOYSA-N 0 0 199.275 1.235 10 0 ADAERN Cc1cc(-c2ccc(CO)nc2)n[nH]1 238531649 573827996 /nfs/dbraw/zinc/82/79/96/573827996.db2.gz BVWCVWKWJAZSRT-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN COCC(=O)Cc1ccccc1C 43504891 573828003 /nfs/dbraw/zinc/82/80/03/573828003.db2.gz XOWALLKOFMMSGK-UHFFFAOYSA-N 0 0 178.231 1.753 10 0 ADAERN C[NH2+][C@@H]1CCc2cccc(C(=O)[O-])c21 257886505 573829342 /nfs/dbraw/zinc/82/93/42/573829342.db2.gz WIEIREKMXQKLJN-SECBINFHSA-N 0 0 191.230 1.592 10 0 ADAERN COC(=O)[C@@H](F)c1cccc(OC)c1 257884694 573828072 /nfs/dbraw/zinc/82/80/72/573828072.db2.gz WBJWUDHFZSIDER-VIFPVBQESA-N 0 0 198.193 1.879 10 0 ADAERN COC[C@H](C)C(=O)OCCC1CC1 308444746 573828080 /nfs/dbraw/zinc/82/80/80/573828080.db2.gz AVINHYHJGVRMRR-QMMMGPOBSA-N 0 0 186.251 1.612 10 0 ADAERN CC[C@H](C)C[C@@H](NN)c1ccnnc1 131388664 573828091 /nfs/dbraw/zinc/82/80/91/573828091.db2.gz IODRQFWCNIDLQZ-WCBMZHEXSA-N 0 0 194.282 1.417 10 0 ADAERN C[Si](C)(C)C[C@@H]1CC(N)=NO1 238526639 573828093 /nfs/dbraw/zinc/82/80/93/573828093.db2.gz KHNGZUVBMJIFFI-LURJTMIESA-N 0 0 172.304 1.386 10 0 ADAERN Cc1noc2cc(O)c(N)cc12 238531601 573828103 /nfs/dbraw/zinc/82/81/03/573828103.db2.gz XNBZDFTWFAIQDS-UHFFFAOYSA-N 0 0 164.164 1.424 10 0 ADAERN CC(=O)CCc1c(Cl)cnn1C 125211468 573828124 /nfs/dbraw/zinc/82/81/24/573828124.db2.gz AFTMMIGOPWIMGS-UHFFFAOYSA-N 0 0 186.642 1.595 10 0 ADAERN Cc1sc(C2CC2)nc1CO 259572928 573828130 /nfs/dbraw/zinc/82/81/30/573828130.db2.gz XYJAFOZGXVQBJG-UHFFFAOYSA-N 0 0 169.249 1.821 10 0 ADAERN Cc1nc2cc[nH]c2c(=S)[nH]1 238527531 573828162 /nfs/dbraw/zinc/82/81/62/573828162.db2.gz GLYXIZGSIPDCLA-UHFFFAOYSA-N 0 0 165.221 1.555 10 0 ADAERN CC(C)(C)[C@@H](O)C/C=C/CO 238147881 573828163 /nfs/dbraw/zinc/82/81/63/573828163.db2.gz YJINDSOLAGWZQT-ZJELKQJVSA-N 0 0 158.241 1.332 10 0 ADAERN CC(=O)c1cccc2[nH]c(=O)ccc12 238148076 573828168 /nfs/dbraw/zinc/82/81/68/573828168.db2.gz YSMZGVTTZUVEBW-UHFFFAOYSA-N 0 0 187.198 1.731 10 0 ADAERN CCCC[C@H](NCC)C(=O)OCC 41053354 573828174 /nfs/dbraw/zinc/82/81/74/573828174.db2.gz YATMJNWFASDTIA-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN COCC(=O)Cc1cccc(C)c1F 43504842 573828176 /nfs/dbraw/zinc/82/81/76/573828176.db2.gz CJOXLNFCVFDRRG-UHFFFAOYSA-N 0 0 196.221 1.892 10 0 ADAERN Cc1nc(CO)cc(C(F)F)c1O 238527852 573828177 /nfs/dbraw/zinc/82/81/77/573828177.db2.gz NSOVUHBZBGDVSJ-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC[C@@H]([NH2+]C)C(C)(C)C(=O)[O-] 259204989 573828193 /nfs/dbraw/zinc/82/81/93/573828193.db2.gz FNTIFTSUALTJTR-ZCFIWIBFSA-N 0 0 159.229 1.095 10 0 ADAERN CNCNc1ccc(C)o1 258961406 573828238 /nfs/dbraw/zinc/82/82/38/573828238.db2.gz VYQJJJCTGDMPFX-UHFFFAOYSA-N 0 0 140.186 1.177 10 0 ADAERN CC(=O)OC/C=C/CC/C=C/CO 14616360 573828249 /nfs/dbraw/zinc/82/82/49/573828249.db2.gz ZKILHARWRXLUFO-YDFGWWAZSA-N 0 0 184.235 1.434 10 0 ADAERN Cc1cccc(-n2ncc(CO)n2)c1 238527767 573828267 /nfs/dbraw/zinc/82/82/67/573828267.db2.gz KGKIBTAKGOONKY-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN COCCCCC(C)(C)CO 131403719 573829351 /nfs/dbraw/zinc/82/93/51/573829351.db2.gz NMDJWUJRNBCZBY-UHFFFAOYSA-N 0 0 160.257 1.822 10 0 ADAERN CCCC[C@@H](NC1CC1)C(=O)OC 41053365 573828281 /nfs/dbraw/zinc/82/82/81/573828281.db2.gz RNJKIWHQDBLJBE-SECBINFHSA-N 0 0 185.267 1.470 10 0 ADAERN Clc1ncnn2c(Cl)ncc12 238527194 573828325 /nfs/dbraw/zinc/82/83/25/573828325.db2.gz DTMHTTZJOHBLTG-UHFFFAOYSA-N 0 0 189.005 1.431 10 0 ADAERN CC(C)[C@]1(O)CCSC1 84328010 573828344 /nfs/dbraw/zinc/82/83/44/573828344.db2.gz GEZSCPWZATZVTC-ZETCQYMHSA-N 0 0 146.255 1.510 10 0 ADAERN C[C@H]1CC[C@](C[NH3+])(CC(=O)[O-])CC1 100805069 573828348 /nfs/dbraw/zinc/82/83/48/573828348.db2.gz ZMQXNOCRKMCKKX-WAAGHKOSSA-N 0 0 185.267 1.616 10 0 ADAERN CC1(C)CCC[C@@H]1[C@H]1CC(=O)NC1=O 125211458 573828351 /nfs/dbraw/zinc/82/83/51/573828351.db2.gz CGUOJJOYEXEMMU-HTQZYQBOSA-N 0 0 195.262 1.475 10 0 ADAERN C[N@@H+]1CCC(C)(C)[C@@H](CC(=O)[O-])C1 259205361 573828358 /nfs/dbraw/zinc/82/83/58/573828358.db2.gz JGVZBCBMFXLECP-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN CC(=O)[C@H](N)c1ccc2[nH]cnc2c1 259206156 573828378 /nfs/dbraw/zinc/82/83/78/573828378.db2.gz IMNSCDSLJSRZEI-JTQLQIEISA-N 0 0 189.218 1.152 10 0 ADAERN NOCc1cccc(-c2ncco2)c1 258143079 573828399 /nfs/dbraw/zinc/82/83/99/573828399.db2.gz STHJUFMPVJPJTN-UHFFFAOYSA-N 0 0 190.202 1.732 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)CC(=O)N2 258142895 573828406 /nfs/dbraw/zinc/82/84/06/573828406.db2.gz SPYIHMPAMYQLEX-SSDOTTSWSA-N 0 0 191.230 1.277 10 0 ADAERN Cc1ccc([C@H](O)C(=O)C(C)C)o1 259206151 573828413 /nfs/dbraw/zinc/82/84/13/573828413.db2.gz QQARDONWCPLJST-JTQLQIEISA-N 0 0 182.219 1.847 10 0 ADAERN Cc1nc(OC2CC2)cn1C 238526833 573828420 /nfs/dbraw/zinc/82/84/20/573828420.db2.gz GFZWKIRBYHGAPK-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN Cc1nc(CO)cc(C(F)F)c1F 238527723 573828427 /nfs/dbraw/zinc/82/84/27/573828427.db2.gz FDFLDQMTXHUMTE-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN COCCCCC1(CO)CCC1 131406032 573828464 /nfs/dbraw/zinc/82/84/64/573828464.db2.gz CLWFOEKJOHHKSE-UHFFFAOYSA-N 0 0 172.268 1.966 10 0 ADAERN Cc1coc(C(=O)Cn2cncn2)c1 716215646 573828466 /nfs/dbraw/zinc/82/84/66/573828466.db2.gz XRWNUZNYCXEGSK-UHFFFAOYSA-N 0 0 191.190 1.062 10 0 ADAERN Cc1cc([C@H]2CNC(=O)C2)ccc1O 238526694 573828482 /nfs/dbraw/zinc/82/84/82/573828482.db2.gz FKLPHVCMLUNYDV-SECBINFHSA-N 0 0 191.230 1.304 10 0 ADAERN CCN1CCC[C@@H]1c1nc(CO)co1 257886135 573828494 /nfs/dbraw/zinc/82/84/94/573828494.db2.gz ASDPECKLDIFMOL-SECBINFHSA-N 0 0 196.250 1.324 10 0 ADAERN CCCC[C@@H](CO)NCC(F)(F)F 41053508 573828513 /nfs/dbraw/zinc/82/85/13/573828513.db2.gz KVVXCYVZDPOTPW-ZETCQYMHSA-N 0 0 199.216 1.689 10 0 ADAERN Cc1cc(CO)c2ccc(=O)cc-2[nH]1 238528025 573828515 /nfs/dbraw/zinc/82/85/15/573828515.db2.gz JLYQQGOCMMYFMQ-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN Cc1ccc([C@@]2(O)CCC(=O)N2)cc1 238527472 573828524 /nfs/dbraw/zinc/82/85/24/573828524.db2.gz MWOMIQDAAKCPMD-NSHDSACASA-N 0 0 191.230 1.050 10 0 ADAERN COCC(=O)Cc1cccc(OC)c1 43504875 573828529 /nfs/dbraw/zinc/82/85/29/573828529.db2.gz JLHWJRYXOKDASO-UHFFFAOYSA-N 0 0 194.230 1.453 10 0 ADAERN Cc1nc(CO)c(C(F)F)cc1N 238526792 573828556 /nfs/dbraw/zinc/82/85/56/573828556.db2.gz QDNAUEKBWVRLOT-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)([NH3+])c1cc(C(=O)[O-])ccc1F 238148003 573828564 /nfs/dbraw/zinc/82/85/64/573828564.db2.gz MLGKWUOGEKFSJW-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN Clc1cn2c(n1)CSCC2 84326693 573828573 /nfs/dbraw/zinc/82/85/73/573828573.db2.gz LUSDUEXIQZNBGX-UHFFFAOYSA-N 0 0 174.656 1.783 10 0 ADAERN CC(C)CC[C@@H]1C[NH2+]CC[C@@H]1C(=O)[O-] 214989250 573828574 /nfs/dbraw/zinc/82/85/74/573828574.db2.gz CSDDQRZPWWHWGG-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN COCC(=O)CCc1cccc(F)c1 43504853 573828578 /nfs/dbraw/zinc/82/85/78/573828578.db2.gz KAQKWRCMQJHFAG-UHFFFAOYSA-N 0 0 196.221 1.974 10 0 ADAERN CC(C)CNC=C1CCOC1=O 238149069 573828579 /nfs/dbraw/zinc/82/85/79/573828579.db2.gz CMDKFZTUDQXOBA-VURMDHGXSA-N 0 0 169.224 1.063 10 0 ADAERN C[Si](C)(C)C[C@@]1(CO)CCCO1 238527032 573828588 /nfs/dbraw/zinc/82/85/88/573828588.db2.gz QIKORWVEHZSNTQ-VIFPVBQESA-N 0 0 188.343 1.866 10 0 ADAERN O[C@H]1CCc2nc(C3CC3)oc2C1 257885038 573829365 /nfs/dbraw/zinc/82/93/65/573829365.db2.gz FYCNEHMHRDGPIB-ZETCQYMHSA-N 0 0 179.219 1.402 10 0 ADAERN Cc1nc(COC(C)C)cn1C 258142105 573828609 /nfs/dbraw/zinc/82/86/09/573828609.db2.gz KVICNZXTEYISEB-UHFFFAOYSA-N 0 0 168.240 1.654 10 0 ADAERN FC(F)CCCn1ccnn1 688751029 573828615 /nfs/dbraw/zinc/82/86/15/573828615.db2.gz VZNAHZFACFVDJW-UHFFFAOYSA-N 0 0 161.155 1.323 10 0 ADAERN CCCC[C@@H](NCC)C(=O)OCC 41053355 573828620 /nfs/dbraw/zinc/82/86/20/573828620.db2.gz YATMJNWFASDTIA-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN CC1CCN(c2nnns2)CC1 258964127 573828634 /nfs/dbraw/zinc/82/86/34/573828634.db2.gz MZABIDNXOJCTTH-UHFFFAOYSA-N 0 0 184.268 1.169 10 0 ADAERN Cc1[nH]c(-c2ccc[nH]2)cc1C(N)=O 259205626 573828640 /nfs/dbraw/zinc/82/86/40/573828640.db2.gz NNHNDLPIMREPFL-UHFFFAOYSA-N 0 0 189.218 1.417 10 0 ADAERN O=Cc1ccc(F)c(-n2cccn2)c1 257887502 573828651 /nfs/dbraw/zinc/82/86/51/573828651.db2.gz WMRHUDBLGISKNC-UHFFFAOYSA-N 0 0 190.177 1.824 10 0 ADAERN C[NH+](C)[C@H](C(=O)[O-])C1CCCCCC1 84330144 573828659 /nfs/dbraw/zinc/82/86/59/573828659.db2.gz SLIDSCAMCKPGFC-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN Cn1cncc1OC1CCC1 238531360 573828665 /nfs/dbraw/zinc/82/86/65/573828665.db2.gz QYDOPDOFKVKHHU-UHFFFAOYSA-N 0 0 152.197 1.351 10 0 ADAERN COCC(=O)Cc1cccc(C)c1 43504892 573828670 /nfs/dbraw/zinc/82/86/70/573828670.db2.gz QCXFBJGKJXQFPM-UHFFFAOYSA-N 0 0 178.231 1.753 10 0 ADAERN C[Si](C)(C)C[C@]1(CO)CCCO1 238527791 573828682 /nfs/dbraw/zinc/82/86/82/573828682.db2.gz QIKORWVEHZSNTQ-SECBINFHSA-N 0 0 188.343 1.866 10 0 ADAERN O=C1C[C@@H]2CC[C@H]1[C@@H]2F 238527639 573828693 /nfs/dbraw/zinc/82/86/93/573828693.db2.gz LHHCHLLGCCGOSH-HBPOCXIASA-N 0 0 128.146 1.324 10 0 ADAERN Cc1c(C=O)cc(C(F)F)nc1N 238527409 573828697 /nfs/dbraw/zinc/82/86/97/573828697.db2.gz SGFFBPMDAXUGEJ-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C[C@H](OC[C@H]1CCCCO1)[C@@H](C)O 131221758 573828726 /nfs/dbraw/zinc/82/87/26/573828726.db2.gz CERSSYICQRIETF-KXUCPTDWSA-N 0 0 188.267 1.341 10 0 ADAERN Cc1cc([C@H]2CNC(=O)C2)cnc1F 238526737 573828738 /nfs/dbraw/zinc/82/87/38/573828738.db2.gz NHINIFDAOZMIOX-MRVPVSSYSA-N 0 0 194.209 1.133 10 0 ADAERN C[Si](C)(C)C[C@@H]1CC(=O)N1 238526623 573828748 /nfs/dbraw/zinc/82/87/48/573828748.db2.gz IMOYZSOVQUFVSK-LURJTMIESA-N 0 0 157.289 1.213 10 0 ADAERN CCNc1nccc(C2CC2)n1 87203448 573828751 /nfs/dbraw/zinc/82/87/51/573828751.db2.gz NFNGNFXYYQRRTM-UHFFFAOYSA-N 0 0 163.224 1.786 10 0 ADAERN COc1cc(CCON)c(F)cc1C 258151541 573828752 /nfs/dbraw/zinc/82/87/52/573828752.db2.gz OUBFTYJRBJICDZ-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN Nc1nccc(-c2ccoc2)n1 87203761 573828758 /nfs/dbraw/zinc/82/87/58/573828758.db2.gz DUNNACVOSIDTNS-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Cc1nc(OC2CCC2)c[nH]1 238526875 573829375 /nfs/dbraw/zinc/82/93/75/573829375.db2.gz BKCHZAUCQKOHAG-UHFFFAOYSA-N 0 0 152.197 1.649 10 0 ADAERN CC(C)C[C@H]1CC(CO)=NO1 238147412 573828777 /nfs/dbraw/zinc/82/87/77/573828777.db2.gz KINUOIILYCZQJN-QMMMGPOBSA-N 0 0 157.213 1.170 10 0 ADAERN OC1(Cc2ccccn2)CCC1 84329973 573828781 /nfs/dbraw/zinc/82/87/81/573828781.db2.gz KJUADSXEYSVWMA-UHFFFAOYSA-N 0 0 163.220 1.539 10 0 ADAERN S=c1[nH]cc(-c2cnccn2)[nH]1 87200596 573828787 /nfs/dbraw/zinc/82/87/87/573828787.db2.gz STPDQRLTDASUCF-UHFFFAOYSA-N 0 0 178.220 1.529 10 0 ADAERN CCC[C@@]1(O)CCSC1 84328014 573828791 /nfs/dbraw/zinc/82/87/91/573828791.db2.gz SMVQFEJTLWSONB-SSDOTTSWSA-N 0 0 146.255 1.655 10 0 ADAERN CON(C)C(=O)CC1=CCCCC1 308446136 573828802 /nfs/dbraw/zinc/82/88/02/573828802.db2.gz BHADHHNQLUCBFF-UHFFFAOYSA-N 0 0 183.251 1.897 10 0 ADAERN CCCC(=O)[C@H](C(=O)OC)C(C)C 43502611 573828811 /nfs/dbraw/zinc/82/88/11/573828811.db2.gz NGJDGCNMNQGIRZ-SECBINFHSA-N 0 0 186.251 1.801 10 0 ADAERN OC1(C2CCOCC2)CCC1 84328982 573829378 /nfs/dbraw/zinc/82/93/78/573829378.db2.gz VZDNMWNOFBYUGM-UHFFFAOYSA-N 0 0 156.225 1.328 10 0 ADAERN CC(=O)N[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 238148932 573828818 /nfs/dbraw/zinc/82/88/18/573828818.db2.gz JBSRXWWWDDOZPL-KNZXXDILSA-N 0 0 193.290 1.947 10 0 ADAERN Cc1cc(F)cc2c(N)n[nH]c12 238531230 573828822 /nfs/dbraw/zinc/82/88/22/573828822.db2.gz JITZZGXLLBNUGU-UHFFFAOYSA-N 0 0 165.171 1.593 10 0 ADAERN Cc1nc(CO)c(O)cc1C(F)F 238527224 573828833 /nfs/dbraw/zinc/82/88/33/573828833.db2.gz VKQDWOPBZIMLDE-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(C)=C[C@@H](O)[C@H]1CCCCO1 122828948 573828837 /nfs/dbraw/zinc/82/88/37/573828837.db2.gz DEUCLMAAYCFOHT-NXEZZACHSA-N 0 0 170.252 1.883 10 0 ADAERN CO[C@](C)(CO)c1ccc(O)cc1 257886244 573828858 /nfs/dbraw/zinc/82/88/58/573828858.db2.gz MPYJDANHAZVEKE-SNVBAGLBSA-N 0 0 182.219 1.246 10 0 ADAERN CC(C)OCCO[C@@H](C)C(N)=S 43515023 573828859 /nfs/dbraw/zinc/82/88/59/573828859.db2.gz YPMIUZPMBJEGAJ-ZETCQYMHSA-N 0 0 191.296 1.103 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)CC(=O)N2 258142896 573828887 /nfs/dbraw/zinc/82/88/87/573828887.db2.gz SPYIHMPAMYQLEX-ZETCQYMHSA-N 0 0 191.230 1.277 10 0 ADAERN C[C@@]1(CCO)COC(=O)N1C1CCC1 258144300 573828950 /nfs/dbraw/zinc/82/89/50/573828950.db2.gz LBHMHUWEMQVDQT-SNVBAGLBSA-N 0 0 199.250 1.132 10 0 ADAERN CC(C)CCO[C@H](C)C(N)=S 43515004 573828892 /nfs/dbraw/zinc/82/88/92/573828892.db2.gz KRZCXPYVODYQDO-SSDOTTSWSA-N 0 0 175.297 1.724 10 0 ADAERN CC(=O)C[C@@H]1Cc2cc(O)ccc2O1 258143989 573828895 /nfs/dbraw/zinc/82/88/95/573828895.db2.gz QPEUPFLZZYMUAR-SNVBAGLBSA-N 0 0 192.214 1.675 10 0 ADAERN COc1cc(CNO)cc(F)c1C 258142888 573828921 /nfs/dbraw/zinc/82/89/21/573828921.db2.gz SPQLWQYFYCKOHR-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN NC1=NO[C@@H](c2ccc(F)cc2)C1 257886308 573828949 /nfs/dbraw/zinc/82/89/49/573828949.db2.gz MRSUBUZXYFTMMM-MRVPVSSYSA-N 0 0 180.182 1.559 10 0 ADAERN C[C@@H](OCc1ccco1)C(N)=S 43514978 573828953 /nfs/dbraw/zinc/82/89/53/573828953.db2.gz IORTULCVPMGASH-ZCFIWIBFSA-N 0 0 185.248 1.471 10 0 ADAERN CC(=O)N[C@H]1CCn2cccc21 238147040 573828958 /nfs/dbraw/zinc/82/89/58/573828958.db2.gz CXQIDEMSFABCJA-QMMMGPOBSA-N 0 0 164.208 1.069 10 0 ADAERN Clc1cc2c(nn1)C1CCN2CC1 109215436 573828965 /nfs/dbraw/zinc/82/89/65/573828965.db2.gz HFBIHTCXOHFXSF-UHFFFAOYSA-N 0 0 195.653 1.827 10 0 ADAERN Cc1ccc(O)c(-c2ccn(O)n2)c1 238531390 573828970 /nfs/dbraw/zinc/82/89/70/573828970.db2.gz UDZGOURHRIXXDW-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CO[C@H](Cn1cc(C)c(N)n1)C(C)C 381838073 573828983 /nfs/dbraw/zinc/82/89/83/573828983.db2.gz AZRBDKNRPFXIQD-SECBINFHSA-N 0 0 197.282 1.275 10 0 ADAERN Nc1c[nH]nc1-c1ccc(O)cc1 257886305 573828988 /nfs/dbraw/zinc/82/89/88/573828988.db2.gz MRMCLXSJPGYHCS-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN CC/C=C(/C)C(=O)N(C)C[C@@H](C)CO 688721232 573828994 /nfs/dbraw/zinc/82/89/94/573828994.db2.gz PTRRAUWINRGPEP-WPVMNKCKSA-N 0 0 199.294 1.430 10 0 ADAERN CC(C)(C)[C@@H](O)CSO 238147384 573829007 /nfs/dbraw/zinc/82/90/07/573829007.db2.gz JIUVRNIXXHBMGD-YFKPBYRVSA-N 0 0 150.243 1.600 10 0 ADAERN CCNc1ncc(Br)o1 257886433 573829011 /nfs/dbraw/zinc/82/90/11/573829011.db2.gz LJUJYCLECNZDHE-UHFFFAOYSA-N 0 0 191.028 1.869 10 0 ADAERN CCOc1ccc2c(c1)NC(=O)[C@@H]2N 109287099 573829029 /nfs/dbraw/zinc/82/90/29/573829029.db2.gz VQBYPXLAGLBAIY-SECBINFHSA-N 0 0 192.218 1.037 10 0 ADAERN Cc1ccc([C@](C)(O)CON)cc1 257886273 573829394 /nfs/dbraw/zinc/82/93/94/573829394.db2.gz MQURAGZRZRJCNK-SNVBAGLBSA-N 0 0 181.235 1.093 10 0 ADAERN C[C@]1(F)CCCc2onc(CO)c21 257886258 573829050 /nfs/dbraw/zinc/82/90/50/573829050.db2.gz MQONWRFKNYCPHG-VIFPVBQESA-N 0 0 185.198 1.688 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1F)CCO2 258142944 573829061 /nfs/dbraw/zinc/82/90/61/573829061.db2.gz SQZIPDFMJDINJX-ZETCQYMHSA-N 0 0 196.221 1.856 10 0 ADAERN CNc1nccc(-c2ccoc2)n1 87203765 573829084 /nfs/dbraw/zinc/82/90/84/573829084.db2.gz ZSROAIVDFNVXHM-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN Cc1cc(=S)n2nccc2[nH]1 238526820 573829092 /nfs/dbraw/zinc/82/90/92/573829092.db2.gz UDXBPTGIOYGVCH-UHFFFAOYSA-N 0 0 165.221 1.700 10 0 ADAERN Cc1cccc2c1C[C@@H]1CC(=O)N[C@H]21 238531742 573829104 /nfs/dbraw/zinc/82/91/04/573829104.db2.gz KWCVOBZDOPTZMV-PELKAZGASA-N 0 0 187.242 1.728 10 0 ADAERN CCCCN(C)[C@@H](C)OC(=O)OC 308446585 573829106 /nfs/dbraw/zinc/82/91/06/573829106.db2.gz BLDRQPVFGZEYIY-MRVPVSSYSA-N 0 0 189.255 1.847 10 0 ADAERN CCO[C@@H](CC)c1nsc(N)n1 131407167 573829108 /nfs/dbraw/zinc/82/91/08/573829108.db2.gz ALJBVRIXRVJLPU-YFKPBYRVSA-N 0 0 187.268 1.608 10 0 ADAERN Cc1ccc([C@@H](O)C(=O)C(C)C)o1 259206157 573829115 /nfs/dbraw/zinc/82/91/15/573829115.db2.gz QQARDONWCPLJST-SNVBAGLBSA-N 0 0 182.219 1.847 10 0 ADAERN C[C@H]1CN(C)c2c(CON)cccc21 258143861 573829131 /nfs/dbraw/zinc/82/91/31/573829131.db2.gz QOQOJCHILVPVSW-QMMMGPOBSA-N 0 0 192.262 1.630 10 0 ADAERN O[C@@H]1CCc2nc(C3CC3)oc2C1 257885035 573829137 /nfs/dbraw/zinc/82/91/37/573829137.db2.gz FYCNEHMHRDGPIB-SSDOTTSWSA-N 0 0 179.219 1.402 10 0 ADAERN CCCn1ncnc1C(=O)[C@H](C)CC 308446330 573829144 /nfs/dbraw/zinc/82/91/44/573829144.db2.gz AQDCAWSZNNKPPA-MRVPVSSYSA-N 0 0 195.266 1.917 10 0 ADAERN c1coc(-c2nc3c(o2)CC[NH2+]C3)c1 258517992 573829149 /nfs/dbraw/zinc/82/91/49/573829149.db2.gz DWXNNMVTUUIGJC-UHFFFAOYSA-N 0 0 190.202 1.580 10 0 ADAERN OC1(Cc2ccco2)CCC1 84328389 573829155 /nfs/dbraw/zinc/82/91/55/573829155.db2.gz YGEIVDICGSTGCM-UHFFFAOYSA-N 0 0 152.193 1.737 10 0 ADAERN Cn1cc(-c2c[nH]c(=S)[nH]2)cn1 87200606 573829160 /nfs/dbraw/zinc/82/91/60/573829160.db2.gz XJCWITSDPBPTOX-UHFFFAOYSA-N 0 0 180.236 1.473 10 0 ADAERN CC[C@@](C)(OC)[C@@H](C=C(C)C)NN 125212414 573829168 /nfs/dbraw/zinc/82/91/68/573829168.db2.gz SAAKFIZZJJYYHD-NXEZZACHSA-N 0 0 186.299 1.600 10 0 ADAERN CN[C@@H](C)c1noc(CC(C)C)n1 258142537 573829215 /nfs/dbraw/zinc/82/92/15/573829215.db2.gz VNGICTYYKVJXOL-ZETCQYMHSA-N 0 0 183.255 1.549 10 0 ADAERN CC(C)NC(=O)N(Cl)C(C)C 238147930 573829248 /nfs/dbraw/zinc/82/92/48/573829248.db2.gz SFRGOGRRWYEQOP-UHFFFAOYSA-N 0 0 178.663 1.969 10 0 ADAERN Nc1nc2c(s1)C[C@H](F)CC2 257886219 573829267 /nfs/dbraw/zinc/82/92/67/573829267.db2.gz MPAMRQSGPIPIGA-SCSAIBSYSA-N 0 0 172.228 1.552 10 0 ADAERN CCCCOCC(=O)OCC1CC1 308451024 573829303 /nfs/dbraw/zinc/82/93/03/573829303.db2.gz DKUDSFYPVJIVRE-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)OC(C)C 87222917 573834423 /nfs/dbraw/zinc/83/44/23/573834423.db2.gz SLOGPEPGQVUHPN-UHFFFAOYSA-N 0 0 182.223 1.592 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](C(N)=O)C1 238155645 573834445 /nfs/dbraw/zinc/83/44/45/573834445.db2.gz KFGOBJVPBNPYTO-VGMNWLOBSA-N 0 0 199.294 1.295 10 0 ADAERN Cc1npc[nH]1 238533375 573833237 /nfs/dbraw/zinc/83/32/37/573833237.db2.gz SJQFTVLYLPEJBX-UHFFFAOYSA-N 0 0 100.061 1.298 10 0 ADAERN COc1ccc2c(CON)c[nH]c2c1 258144579 573833259 /nfs/dbraw/zinc/83/32/59/573833259.db2.gz LBNJOKYKOSMTMK-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN CCCNc1[nH]c2ccc(N)cc2[nH+]1 87225279 573833266 /nfs/dbraw/zinc/83/32/66/573833266.db2.gz PFILRZVENRJITE-UHFFFAOYSA-N 0 0 190.250 1.967 10 0 ADAERN CNC(=O)Nc1ccc(O)cc1F 125225390 573833267 /nfs/dbraw/zinc/83/32/67/573833267.db2.gz KYDAXOHCGKIIMX-UHFFFAOYSA-N 0 0 184.170 1.283 10 0 ADAERN CCOC(=O)[C@](C)(O)[C@@H]1CC[C@@H]2C[C@@H]21 308446005 573833275 /nfs/dbraw/zinc/83/32/75/573833275.db2.gz ANCWDCNWPVPGBI-PKIKSRDPSA-N 0 0 198.262 1.347 10 0 ADAERN CC[C@@H](CC(=O)[O-])[N@@H+]1CC[C@@H](F)C1 689826490 573836713 /nfs/dbraw/zinc/83/67/13/573836713.db2.gz IHSZAGXOOKUJNL-SFYZADRCSA-N 0 0 189.230 1.284 10 0 ADAERN NOCCc1cccc2ccncc12 258143119 573833343 /nfs/dbraw/zinc/83/33/43/573833343.db2.gz STWMJZXHDKARMK-UHFFFAOYSA-N 0 0 188.230 1.668 10 0 ADAERN COC(=O)CC(=O)OCCC(C)C 308451045 573833344 /nfs/dbraw/zinc/83/33/44/573833344.db2.gz DMUBVJJYERDXQX-UHFFFAOYSA-N 0 0 188.223 1.139 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@H]1c1cccc(F)c1 257885202 573833366 /nfs/dbraw/zinc/83/33/66/573833366.db2.gz WBODQWTTXFLPJS-IUCAKERBSA-N 0 0 195.193 1.171 10 0 ADAERN CC(C)CCC[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 258961490 573833354 /nfs/dbraw/zinc/83/33/54/573833354.db2.gz VZURERNAVGVFGP-UWVGGRQHSA-N 0 0 199.294 1.733 10 0 ADAERN CCOC(=O)[C@](C)(O)[C@@H]1CC[C@H]2C[C@H]21 308446010 573833373 /nfs/dbraw/zinc/83/33/73/573833373.db2.gz ANCWDCNWPVPGBI-YSSBGUOXSA-N 0 0 198.262 1.347 10 0 ADAERN C[C@@]1([C@H](O)c2cccnc2)CCCO1 87227017 573833376 /nfs/dbraw/zinc/83/33/76/573833376.db2.gz QYTHNMVMWXFJPW-MNOVXSKESA-N 0 0 193.246 1.684 10 0 ADAERN C[C@@H](N)c1nc([C@]2(C)CCCO2)no1 87226446 573834133 /nfs/dbraw/zinc/83/41/33/573834133.db2.gz PHOSRWPQJMWLFC-MUWHJKNJSA-N 0 0 197.238 1.115 10 0 ADAERN CCc1ncc2n1CCC[C@H]2CO 258153532 573834453 /nfs/dbraw/zinc/83/44/53/573834453.db2.gz HWQKEKWDQMBOOO-QMMMGPOBSA-N 0 0 180.251 1.315 10 0 ADAERN CC(C)C[C@@H](O)[C@@]1(C)CCCO1 87227258 573833291 /nfs/dbraw/zinc/83/32/91/573833291.db2.gz KAPSUBWDDWGCAA-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cccc2cnc([C@H](C)O)n12 257887238 573834455 /nfs/dbraw/zinc/83/44/55/573834455.db2.gz MSXHIQZWIRJUNS-QMMMGPOBSA-N 0 0 176.219 1.696 10 0 ADAERN Cc1ccc2c(c1)c(C(N)=O)cn2C 238532137 573832631 /nfs/dbraw/zinc/83/26/31/573832631.db2.gz MJFNTJYSZLDVCN-UHFFFAOYSA-N 0 0 188.230 1.586 10 0 ADAERN O=C1C[C@@H](Cc2cccc(F)c2)CO1 238532138 573832656 /nfs/dbraw/zinc/83/26/56/573832656.db2.gz DSINLKYMNZTJEK-SECBINFHSA-N 0 0 194.205 1.931 10 0 ADAERN CC(C)OC[C@@H](NN)[C@H]1C[C@@H]2C[C@@H]2C1 252973992 573832666 /nfs/dbraw/zinc/83/26/66/573832666.db2.gz UHILHWXDBDEPTB-LMLFDSFASA-N 0 0 198.310 1.289 10 0 ADAERN CC[C@H](C)c1nnc2cnccn12 100895559 573832667 /nfs/dbraw/zinc/83/26/67/573832667.db2.gz PVEIVTUYIBOOJM-ZETCQYMHSA-N 0 0 176.223 1.638 10 0 ADAERN COCc1ccc(N)c(F)c1 87225652 573832669 /nfs/dbraw/zinc/83/26/69/573832669.db2.gz VKCLOOGYPHWVQR-UHFFFAOYSA-N 0 0 155.172 1.554 10 0 ADAERN C[C@]1(CCO)COC(=O)N1C1CCC1 258144298 573832670 /nfs/dbraw/zinc/83/26/70/573832670.db2.gz LBHMHUWEMQVDQT-JTQLQIEISA-N 0 0 199.250 1.132 10 0 ADAERN C[C@]1([C@@H](O)c2cncnc2)CCCO1 87227141 573833293 /nfs/dbraw/zinc/83/32/93/573833293.db2.gz NFDGVIADBOANIL-VHSXEESVSA-N 0 0 194.234 1.079 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C(C(C)(C)C)C1 257886417 573832709 /nfs/dbraw/zinc/83/27/09/573832709.db2.gz WGKCYDVWLWDGFB-UHFFFAOYSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1c[nH]c(=O)c(C=O)c1C(F)F 238533690 573832712 /nfs/dbraw/zinc/83/27/12/573832712.db2.gz JAENIEVAYKJIHX-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN COC(=O)/C=C/C=C\CCC[C@@H](C)O 308446179 573832749 /nfs/dbraw/zinc/83/27/49/573832749.db2.gz MHZAKQDIPJNGSI-KENLRXETSA-N 0 0 198.262 1.823 10 0 ADAERN CC(C)=CCC[C@@](C)(F)[C@@H](O)CO 238147407 573832768 /nfs/dbraw/zinc/83/27/68/573832768.db2.gz GMYZJGWYQDTRGG-VHSXEESVSA-N 0 0 190.258 1.814 10 0 ADAERN Cn1cc([C@@H](O)[C@@]2(C)CCCO2)cn1 87227486 573832804 /nfs/dbraw/zinc/83/28/04/573832804.db2.gz FVISPQYBOFQLBJ-NXEZZACHSA-N 0 0 196.250 1.023 10 0 ADAERN C[C@]12C[C@@H]3C=C[C@@]1(CCCC2=O)O3 238533416 573832864 /nfs/dbraw/zinc/83/28/64/573832864.db2.gz AHYJJYGPCXJJBH-JMJZKYOTSA-N 0 0 178.231 1.843 10 0 ADAERN Cc1cc(Cl)c2c(c1)C(=O)NC2 238532795 573832870 /nfs/dbraw/zinc/83/28/70/573832870.db2.gz QRZABCQKYNJZAM-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN C[C@]1([C@H](O)c2cccnc2)CCCO1 87227016 573834459 /nfs/dbraw/zinc/83/44/59/573834459.db2.gz QYTHNMVMWXFJPW-GHMZBOCLSA-N 0 0 193.246 1.684 10 0 ADAERN C[C@@H](N)c1nc([C@@]2(C)CCCO2)no1 87226448 573832879 /nfs/dbraw/zinc/83/28/79/573832879.db2.gz PHOSRWPQJMWLFC-HZGVNTEJSA-N 0 0 197.238 1.115 10 0 ADAERN C[C@@H]1CC(=O)N(c2ccccc2N)O1 257886427 573832884 /nfs/dbraw/zinc/83/28/84/573832884.db2.gz WGLPLKRLXRGQCR-SSDOTTSWSA-N 0 0 192.218 1.326 10 0 ADAERN C[C@@H](O)c1cnc(-c2ccccn2)o1 258142066 573832888 /nfs/dbraw/zinc/83/28/88/573832888.db2.gz PZALLGUONWNJMY-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN CCC(=O)[C@@]1(C)CCCO1 87226799 573832908 /nfs/dbraw/zinc/83/29/08/573832908.db2.gz LSPZFFRWLXAZCS-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN Nc1ccc([C@H]2CCOC2)nc1Cl 258143511 573832909 /nfs/dbraw/zinc/83/29/09/573832909.db2.gz RGPKHWKZWSMGLC-LURJTMIESA-N 0 0 198.653 1.821 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@H]1c1cccc(F)c1 257885198 573832940 /nfs/dbraw/zinc/83/29/40/573832940.db2.gz WBODQWTTXFLPJS-BDAKNGLRSA-N 0 0 195.193 1.171 10 0 ADAERN C[C@@]1(C(=O)C2CC2)CCCO1 87226667 573832955 /nfs/dbraw/zinc/83/29/55/573832955.db2.gz VJPRHESZFQLYIJ-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN Cc1c(C=O)[nH]cc(C(F)F)c1=O 238532943 573832984 /nfs/dbraw/zinc/83/29/84/573832984.db2.gz OYBDYIIRXVWKIE-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN C[C@@]1([C@@H](O)c2ccco2)CCCO1 87227146 573832986 /nfs/dbraw/zinc/83/29/86/573832986.db2.gz FTFFDGVPLUMWDR-UWVGGRQHSA-N 0 0 182.219 1.882 10 0 ADAERN S=C1NNc2cc(Cl)ccc2N1 238533609 573833001 /nfs/dbraw/zinc/83/30/01/573833001.db2.gz LMXCJPCEFRASCU-UHFFFAOYSA-N 0 0 199.666 1.967 10 0 ADAERN C=Cc1nc([C@@]2(C)CCCO2)no1 87226347 573833012 /nfs/dbraw/zinc/83/30/12/573833012.db2.gz VMXWBUSBYGNOPO-SECBINFHSA-N 0 0 180.207 1.738 10 0 ADAERN Cc1cc(-c2cccnc2)nc(C=O)n1 259206956 573833019 /nfs/dbraw/zinc/83/30/19/573833019.db2.gz HRUKJPIKWJABKO-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN Cc1nonc1C[C@@H](O)c1ccco1 238532792 573833020 /nfs/dbraw/zinc/83/30/20/573833020.db2.gz SNCFDMDFQSCQNQ-MRVPVSSYSA-N 0 0 194.190 1.247 10 0 ADAERN C[C@@H](O)C(=O)Nc1cccs1 258964773 573833022 /nfs/dbraw/zinc/83/30/22/573833022.db2.gz YGSUENBEJOQDHS-RXMQYKEDSA-N 0 0 171.221 1.067 10 0 ADAERN CN1c2cccc(F)c2C[C@@H]1CON 258144516 573833037 /nfs/dbraw/zinc/83/30/37/573833037.db2.gz LAEKEPLMUSEDFH-SSDOTTSWSA-N 0 0 196.225 1.077 10 0 ADAERN Cc1cc2cccc(O)c2c(=O)n1C 258149567 573833051 /nfs/dbraw/zinc/83/30/51/573833051.db2.gz LGJSOGXFDOVGIV-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN C[C@]1([C@H](O)C2CC2)CCCO1 87227052 573833063 /nfs/dbraw/zinc/83/30/63/573833063.db2.gz XFLJSZXEKMHMOP-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@]1(C(=O)c2cncnc2)CCCO1 87226787 573833090 /nfs/dbraw/zinc/83/30/90/573833090.db2.gz KVEGEZVZUMPGPO-JTQLQIEISA-N 0 0 192.218 1.228 10 0 ADAERN Cc1oc(CN)nc1C(F)(F)F 257886312 573833092 /nfs/dbraw/zinc/83/30/92/573833092.db2.gz MRVXSJFZTBPHAC-UHFFFAOYSA-N 0 0 180.129 1.461 10 0 ADAERN CC(C)(C)OC(=O)C1=COCCO1 87222853 573833099 /nfs/dbraw/zinc/83/30/99/573833099.db2.gz UXZHHAZXBCBWLU-UHFFFAOYSA-N 0 0 186.207 1.216 10 0 ADAERN Cc1cc(Cl)c2c(c1)[C@@H](O)OC2=O 238532674 573833120 /nfs/dbraw/zinc/83/31/20/573833120.db2.gz VCPLSHBBUGFKOC-QMMMGPOBSA-N 0 0 198.605 1.810 10 0 ADAERN O=C1CCC[C@@H]([C@@H]2CCCO2)C1 222716039 573833121 /nfs/dbraw/zinc/83/31/21/573833121.db2.gz MHOXAOANOSWBMI-SCZZXKLOSA-N 0 0 168.236 1.925 10 0 ADAERN COCNC(=O)c1ccccc1 143488728 573833125 /nfs/dbraw/zinc/83/31/25/573833125.db2.gz HLGWPTPAYKLATN-UHFFFAOYSA-N 0 0 165.192 1.020 10 0 ADAERN c1cn2c(C3CCCC3)nnc2cn1 100895594 573833130 /nfs/dbraw/zinc/83/31/30/573833130.db2.gz DFNVJPNZJRNTMY-UHFFFAOYSA-N 0 0 188.234 1.782 10 0 ADAERN COCCCc1nc2n(n1)CCCC2 258149339 573833131 /nfs/dbraw/zinc/83/31/31/573833131.db2.gz DJSYNOFAHZALMA-UHFFFAOYSA-N 0 0 195.266 1.193 10 0 ADAERN C[C@@]1([C@H](O)c2cncnc2)CCCO1 87227140 573833137 /nfs/dbraw/zinc/83/31/37/573833137.db2.gz NFDGVIADBOANIL-ZJUUUORDSA-N 0 0 194.234 1.079 10 0 ADAERN C[C@@]1([C@@H](O)c2ccoc2)CCCO1 87227369 573833144 /nfs/dbraw/zinc/83/31/44/573833144.db2.gz WDYZXJAQSMBZAL-UWVGGRQHSA-N 0 0 182.219 1.882 10 0 ADAERN CSc1cccc(O)c1CON 258153088 573834465 /nfs/dbraw/zinc/83/44/65/573834465.db2.gz UKTXUHZIQKDADR-UHFFFAOYSA-N 0 0 185.248 1.504 10 0 ADAERN COCc1cccc(C[C@@H](C)O)c1O 258143129 573833176 /nfs/dbraw/zinc/83/31/76/573833176.db2.gz SUGADHVKBHYIDC-MRVPVSSYSA-N 0 0 196.246 1.462 10 0 ADAERN Cc1nsc(Cl)c1C(N)=O 238533718 573833212 /nfs/dbraw/zinc/83/32/12/573833212.db2.gz YVIXQESOGYUQNW-UHFFFAOYSA-N 0 0 176.628 1.204 10 0 ADAERN FC(F)c1nnc2cnccn12 100895453 573833403 /nfs/dbraw/zinc/83/34/03/573833403.db2.gz SGMCGPUNBVSXKH-UHFFFAOYSA-N 0 0 170.122 1.062 10 0 ADAERN O=C1[C@@H]2CC=C[C@H]2[C@@]1(F)Cl 238532737 573833419 /nfs/dbraw/zinc/83/34/19/573833419.db2.gz URQFVPOEANWYPU-XAHCXIQSSA-N 0 0 160.575 1.666 10 0 ADAERN CC1CCC(C[C@@H]([NH3+])C(=O)[O-])CC1 84330914 573833437 /nfs/dbraw/zinc/83/34/37/573833437.db2.gz ZJAOOFZQGVLEHN-AMDVSUOASA-N 0 0 185.267 1.615 10 0 ADAERN C[C@]1(C(=O)c2cnccn2)CCCO1 87226840 573833442 /nfs/dbraw/zinc/83/34/42/573833442.db2.gz QHVOWXTZGIWAON-SNVBAGLBSA-N 0 0 192.218 1.228 10 0 ADAERN O=C1[C@@H]2CC=C[C@@H]2[C@@]1(F)Cl 238532773 573833477 /nfs/dbraw/zinc/83/34/77/573833477.db2.gz URQFVPOEANWYPU-ZDLURKLDSA-N 0 0 160.575 1.666 10 0 ADAERN C[C@]1(C[C@@H]2CCCO2)C[C@@H]1CO 689825861 573833447 /nfs/dbraw/zinc/83/34/47/573833447.db2.gz RENDKXSDGMOLSE-KXUCPTDWSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@]1(C)CCCO1 87227377 573833450 /nfs/dbraw/zinc/83/34/50/573833450.db2.gz SYPUWUIEJDNLHZ-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ccc2c(nc(C)n2C)c1N 238531917 573833453 /nfs/dbraw/zinc/83/34/53/573833453.db2.gz UEYCAXPGHSOYOS-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN CC(=O)[C@H]1CCO[C@@H]1C 87224169 573833466 /nfs/dbraw/zinc/83/34/66/573833466.db2.gz AFLWQLKUHZFTQL-RNFRBKRXSA-N 0 0 128.171 1.000 10 0 ADAERN C[C@@]1(c2ncc(N)cn2)CCCO1 87226490 573833469 /nfs/dbraw/zinc/83/34/69/573833469.db2.gz PMJTZDZVXLZRSR-VIFPVBQESA-N 0 0 179.223 1.084 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@@]1(C)CCCO1 87226988 573833479 /nfs/dbraw/zinc/83/34/79/573833479.db2.gz BKQJKOSDJIJRSJ-PSASIEDQSA-N 0 0 196.250 1.023 10 0 ADAERN Cn1cncc1-c1ccc(CO)o1 238532286 573833485 /nfs/dbraw/zinc/83/34/85/573833485.db2.gz AWIBLXGTJCVBCQ-UHFFFAOYSA-N 0 0 178.191 1.172 10 0 ADAERN Cc1ccc2c(nc(CO)n2C)c1C 238532006 573833513 /nfs/dbraw/zinc/83/35/13/573833513.db2.gz PAZISMJGOSZOLG-UHFFFAOYSA-N 0 0 190.246 1.682 10 0 ADAERN Fc1cncc(OC(F)F)n1 238532075 573833524 /nfs/dbraw/zinc/83/35/24/573833524.db2.gz AOYFCJJYDDBRQS-UHFFFAOYSA-N 0 0 164.086 1.217 10 0 ADAERN Cc1cccc(NC(=O)C=O)c1 238532675 573833530 /nfs/dbraw/zinc/83/35/30/573833530.db2.gz LLFZQRYFSRCQBU-UHFFFAOYSA-N 0 0 163.176 1.132 10 0 ADAERN c1cn2c(C3CCC3)nnc2cn1 100895598 573833537 /nfs/dbraw/zinc/83/35/37/573833537.db2.gz NBOKYNRDEOTDHN-UHFFFAOYSA-N 0 0 174.207 1.392 10 0 ADAERN Cc1cc(O)c(C)c(=O)c(C)c1 238532855 573833540 /nfs/dbraw/zinc/83/35/40/573833540.db2.gz CIOWJQODBZCXLS-UHFFFAOYSA-N 0 0 164.204 1.678 10 0 ADAERN Nc1nc2c(s1)C[C@@H](F)CC2 257886218 573833543 /nfs/dbraw/zinc/83/35/43/573833543.db2.gz MPAMRQSGPIPIGA-BYPYZUCNSA-N 0 0 172.228 1.552 10 0 ADAERN Cn1cc([C@H](O)[C@@]2(C)CCCO2)cn1 87227488 573833545 /nfs/dbraw/zinc/83/35/45/573833545.db2.gz FVISPQYBOFQLBJ-VHSXEESVSA-N 0 0 196.250 1.023 10 0 ADAERN Nc1c(F)cc(Cl)c(F)c1N 100891802 573833557 /nfs/dbraw/zinc/83/35/57/573833557.db2.gz IYSOSNWLEVURRN-UHFFFAOYSA-N 0 0 178.569 1.783 10 0 ADAERN Cc1ccc2c(cnn2C)c1N 238532469 573833568 /nfs/dbraw/zinc/83/35/68/573833568.db2.gz NRRBIYWWZVIAMD-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN Cc1cc(C(=O)C2CC2)nn1C 84330238 573833571 /nfs/dbraw/zinc/83/35/71/573833571.db2.gz MNAWWRRBILSZFV-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN C[C@@]1([C@@H](O)c2cnccn2)CCCO1 87227501 573833581 /nfs/dbraw/zinc/83/35/81/573833581.db2.gz YWGZVSGLSFIUGI-UWVGGRQHSA-N 0 0 194.234 1.079 10 0 ADAERN C[C@]1(C[C@H]2CCCO2)C[C@H]1CO 689825857 573833586 /nfs/dbraw/zinc/83/35/86/573833586.db2.gz RENDKXSDGMOLSE-IVZWLZJFSA-N 0 0 170.252 1.574 10 0 ADAERN CC(C)[C@H](O)[C@]1(C)CCCO1 87227251 573833587 /nfs/dbraw/zinc/83/35/87/573833587.db2.gz WQNHITHWCJUBLD-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1nc(C(=O)OC(C)(C)C)no1 87222907 573833592 /nfs/dbraw/zinc/83/35/92/573833592.db2.gz UDHAODCSICPSHG-UHFFFAOYSA-N 0 0 184.195 1.333 10 0 ADAERN CCCC(=O)[C@]1(C)CCCO1 87226862 573833598 /nfs/dbraw/zinc/83/35/98/573833598.db2.gz QOOKAIUZXYGCET-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN BrC1(C2CCC2)COC1 259206017 573833618 /nfs/dbraw/zinc/83/36/18/573833618.db2.gz XXXGHJVYBLHJHW-UHFFFAOYSA-N 0 0 191.068 1.950 10 0 ADAERN C[C@@]1(C(=O)[C@@H]2CCOC2)CCCO1 87226649 573833629 /nfs/dbraw/zinc/83/36/29/573833629.db2.gz GHOZAXSCIXFTHX-SCZZXKLOSA-N 0 0 184.235 1.161 10 0 ADAERN Cn1cc([C@H](O)[C@]2(C)CCCO2)cn1 87227489 573833634 /nfs/dbraw/zinc/83/36/34/573833634.db2.gz FVISPQYBOFQLBJ-UWVGGRQHSA-N 0 0 196.250 1.023 10 0 ADAERN Cc1c[nH]c(=O)c(C(F)F)c1CO 238533429 573833640 /nfs/dbraw/zinc/83/36/40/573833640.db2.gz ABCZQHOCWJUANK-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC1CCC([C@H](C(=O)[O-])[NH+](C)C)CC1 84339719 573833644 /nfs/dbraw/zinc/83/36/44/573833644.db2.gz HELXYRQDNAESBD-UDNWOFFPSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1nonc1-c1ccc(O)cc1 238533232 573833649 /nfs/dbraw/zinc/83/36/49/573833649.db2.gz QKQPBYMFFHTDPL-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN Cn1ccnc1[C@H](O)[C@@]1(C)CCCO1 87226990 573833650 /nfs/dbraw/zinc/83/36/50/573833650.db2.gz BKQJKOSDJIJRSJ-WCBMZHEXSA-N 0 0 196.250 1.023 10 0 ADAERN O=C1C[C@@H](C2CCCCCC2)N1 84330654 573833652 /nfs/dbraw/zinc/83/36/52/573833652.db2.gz APEWOAYLQUBACD-VIFPVBQESA-N 0 0 167.252 1.845 10 0 ADAERN CC(C)C[C@@H](O)[C@]1(C)CCCO1 87227256 573833662 /nfs/dbraw/zinc/83/36/62/573833662.db2.gz KAPSUBWDDWGCAA-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)([NH3+])c1cccc(F)c1C(=O)[O-] 238155158 573833684 /nfs/dbraw/zinc/83/36/84/573833684.db2.gz COIWRAQPGZKNKJ-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN C[C@]1(C(=O)c2cncnc2)CCCO1 87226786 573833696 /nfs/dbraw/zinc/83/36/96/573833696.db2.gz KVEGEZVZUMPGPO-SNVBAGLBSA-N 0 0 192.218 1.228 10 0 ADAERN O[C@@]1(Cc2ccoc2)CCCOC1 84336678 573833700 /nfs/dbraw/zinc/83/37/00/573833700.db2.gz YSUXHHJSOZOYPM-SNVBAGLBSA-N 0 0 182.219 1.364 10 0 ADAERN Nc1ccc(Cn2cncn2)cc1F 87225584 573833704 /nfs/dbraw/zinc/83/37/04/573833704.db2.gz SPWLTJZTNMJTLH-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN CC(=O)[C@H]1CCO[C@H]1C 87224170 573833709 /nfs/dbraw/zinc/83/37/09/573833709.db2.gz AFLWQLKUHZFTQL-NKWVEPMBSA-N 0 0 128.171 1.000 10 0 ADAERN Clc1ncn2c1CCCC2 258433054 573833782 /nfs/dbraw/zinc/83/37/82/573833782.db2.gz WOXSEOWVUHOOIL-UHFFFAOYSA-N 0 0 156.616 1.873 10 0 ADAERN C[NH+](C)[C@@H](/C=C/C(=O)[O-])c1ccc[nH]1 259573585 573833795 /nfs/dbraw/zinc/83/37/95/573833795.db2.gz PKFOBRHTGLKBBC-CYNONHLPSA-N 0 0 194.234 1.258 10 0 ADAERN C[C@]1(C(=O)[C@@H]2CCOC2)CCCO1 87226648 573833800 /nfs/dbraw/zinc/83/38/00/573833800.db2.gz GHOZAXSCIXFTHX-PSASIEDQSA-N 0 0 184.235 1.161 10 0 ADAERN CN[C@H](C(=O)OC)C1CCC(C)CC1 84339624 573833801 /nfs/dbraw/zinc/83/38/01/573833801.db2.gz YBJPGUVVDCTZDQ-RTBKNWGFSA-N 0 0 199.294 1.574 10 0 ADAERN CC[C@@](C)(O)C[NH2+][C@H](C)c1ccon1 308762588 573833811 /nfs/dbraw/zinc/83/38/11/573833811.db2.gz YUSYEOPZYSTZIE-PSASIEDQSA-N 0 0 198.266 1.486 10 0 ADAERN Cn1nccc1C(=O)[C@]1(C)CCCO1 87226737 573833827 /nfs/dbraw/zinc/83/38/27/573833827.db2.gz MJNBATPUSAUXJZ-JTQLQIEISA-N 0 0 194.234 1.172 10 0 ADAERN C[C@@]1(C(=O)c2cccnc2)CCCO1 87226753 573833832 /nfs/dbraw/zinc/83/38/32/573833832.db2.gz AMKRTEBYYGLLBD-NSHDSACASA-N 0 0 191.230 1.833 10 0 ADAERN CC(C)=CCC(=O)N1CCC[C@@H]1O 238140690 573833836 /nfs/dbraw/zinc/83/38/36/573833836.db2.gz KFPXKUZADXJXTK-VIFPVBQESA-N 0 0 183.251 1.284 10 0 ADAERN CC(=O)[C@@H]1CCO[C@H]1C 87224167 573833844 /nfs/dbraw/zinc/83/38/44/573833844.db2.gz AFLWQLKUHZFTQL-BQBZGAKWSA-N 0 0 128.171 1.000 10 0 ADAERN CC[C@@H]1CC[C@H]1[NH2+]Cc1cnn(C)n1 308762538 573833853 /nfs/dbraw/zinc/83/38/53/573833853.db2.gz YSNLNYCWQLLZHO-PSASIEDQSA-N 0 0 194.282 1.093 10 0 ADAERN CCc1ccc(N)c(OC)n1 258432162 573833859 /nfs/dbraw/zinc/83/38/59/573833859.db2.gz DBWXWIFSQKXYPW-UHFFFAOYSA-N 0 0 152.197 1.235 10 0 ADAERN CN[C@H]([NH3+])c1ccc(F)c(C)c1 259207321 573833876 /nfs/dbraw/zinc/83/38/76/573833876.db2.gz GHZVRBGTBHNECC-VIFPVBQESA-N 0 0 168.215 1.311 10 0 ADAERN CNC(=O)N1CCCC[C@@H]1CC(C)=O 125219363 573833877 /nfs/dbraw/zinc/83/38/77/573833877.db2.gz SOLQUIMFGNELTM-SECBINFHSA-N 0 0 198.266 1.159 10 0 ADAERN CC(C)C[C@@H]1CC[NH2+][C@](C)(C(=O)[O-])C1 258152243 573833881 /nfs/dbraw/zinc/83/38/81/573833881.db2.gz AZQIIASMKJREAW-ONGXEEELSA-N 0 0 199.294 1.875 10 0 ADAERN O[C@]1(c2ccco2)CCSC1 84331787 573833909 /nfs/dbraw/zinc/83/39/09/573833909.db2.gz KECCQJWWTGUMFD-MRVPVSSYSA-N 0 0 170.233 1.604 10 0 ADAERN C1CCC(c2nc3c(o2)CCNC3)C1 258517815 573833917 /nfs/dbraw/zinc/83/39/17/573833917.db2.gz DTWXKCGCPOAIMG-UHFFFAOYSA-N 0 0 192.262 1.978 10 0 ADAERN COc1c(CNO)ccc(C)c1O 258152947 573833918 /nfs/dbraw/zinc/83/39/18/573833918.db2.gz UGRHPGVKYSUZIN-UHFFFAOYSA-N 0 0 183.207 1.188 10 0 ADAERN O=Cc1cnc(C[C@H]2CCCCO2)o1 258152492 573833924 /nfs/dbraw/zinc/83/39/24/573833924.db2.gz QOFCDOWYRQZLSA-MRVPVSSYSA-N 0 0 195.218 1.599 10 0 ADAERN Fc1nccnc1OC(F)F 238532963 573833925 /nfs/dbraw/zinc/83/39/25/573833925.db2.gz WTJIVXWHNULAIF-UHFFFAOYSA-N 0 0 164.086 1.217 10 0 ADAERN CC1CCC(C2=NO[C@@H](CO)C2)CC1 84339462 573833934 /nfs/dbraw/zinc/83/39/34/573833934.db2.gz HPZVNBROWIAYTF-UDNWOFFPSA-N 0 0 197.278 1.950 10 0 ADAERN C[C@@H]1CNc2cccc(N)c2OC1 258432099 573833941 /nfs/dbraw/zinc/83/39/41/573833941.db2.gz FVRCGGTVUDKRET-SSDOTTSWSA-N 0 0 178.235 1.709 10 0 ADAERN C[C@]1([C@H](O)c2cncnc2)CCCO1 87227139 573833959 /nfs/dbraw/zinc/83/39/59/573833959.db2.gz NFDGVIADBOANIL-NXEZZACHSA-N 0 0 194.234 1.079 10 0 ADAERN Cc1c(CO)cnc(C(F)F)c1O 238533450 573833962 /nfs/dbraw/zinc/83/39/62/573833962.db2.gz ZCPQCONQCUVLMK-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CCc1ncc2n1CCC[C@@H]2CO 258153529 573833974 /nfs/dbraw/zinc/83/39/74/573833974.db2.gz HWQKEKWDQMBOOO-MRVPVSSYSA-N 0 0 180.251 1.315 10 0 ADAERN C[C@@]1([C@@H](O)c2cccnc2)CCCO1 87227019 573834429 /nfs/dbraw/zinc/83/44/29/573834429.db2.gz QYTHNMVMWXFJPW-QWRGUYRKSA-N 0 0 193.246 1.684 10 0 ADAERN Cc1cccc2[nH]c3c(c12)C(=O)NC3 238532403 573834433 /nfs/dbraw/zinc/83/44/33/573834433.db2.gz MXWLLTUCKOXIDG-UHFFFAOYSA-N 0 0 186.214 1.720 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@]1(C)CCCO1 87226989 573833999 /nfs/dbraw/zinc/83/39/99/573833999.db2.gz BKQJKOSDJIJRSJ-SCZZXKLOSA-N 0 0 196.250 1.023 10 0 ADAERN Cn1cc(C(=O)[C@]2(C)CCCO2)cn1 87226895 573834019 /nfs/dbraw/zinc/83/40/19/573834019.db2.gz ASWPRWVVZBRYRM-JTQLQIEISA-N 0 0 194.234 1.172 10 0 ADAERN Cn1ccnc1C(=O)[C@]1(C)CCCO1 87226715 573834029 /nfs/dbraw/zinc/83/40/29/573834029.db2.gz PARKFCDFBKBGQU-JTQLQIEISA-N 0 0 194.234 1.172 10 0 ADAERN CC(C)(C)[C@@H]1CO[C@@H](O)C1 238156200 573834036 /nfs/dbraw/zinc/83/40/36/573834036.db2.gz OTNDYSFNHHCDTO-NKWVEPMBSA-N 0 0 144.214 1.387 10 0 ADAERN CCC(=O)[C@]1(C)CCCO1 87226798 573834038 /nfs/dbraw/zinc/83/40/38/573834038.db2.gz LSPZFFRWLXAZCS-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN CC(C)CO[C@@]12C[C@@H]1CCC2=O 238155235 573834050 /nfs/dbraw/zinc/83/40/50/573834050.db2.gz STMGCUBHGNXINJ-WPRPVWTQSA-N 0 0 168.236 1.781 10 0 ADAERN Cc1cccc2c3c([nH]c12)CNC3=O 238533446 573834051 /nfs/dbraw/zinc/83/40/51/573834051.db2.gz IYXNVSQZEPPWTK-UHFFFAOYSA-N 0 0 186.214 1.720 10 0 ADAERN O[C@H]1CO[C@]2(CCc3cccnc32)C1 716230097 573834053 /nfs/dbraw/zinc/83/40/53/573834053.db2.gz LDGNXYACZOBUJE-MWLCHTKSSA-N 0 0 191.230 1.004 10 0 ADAERN CON(C)C(=O)C[C@H]1CCC[C@@H]1C 308448075 573834057 /nfs/dbraw/zinc/83/40/57/573834057.db2.gz CCQSAWSYQDIZHH-DTWKUNHWSA-N 0 0 185.267 1.833 10 0 ADAERN CC[C@H]1CC[C@H]1[NH2+]Cc1cnn(C)n1 308762545 573834064 /nfs/dbraw/zinc/83/40/64/573834064.db2.gz YSNLNYCWQLLZHO-WCBMZHEXSA-N 0 0 194.282 1.093 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@](C)(O)C[C@@H]1O 238155837 573834068 /nfs/dbraw/zinc/83/40/68/573834068.db2.gz HFGDSPAEFNLOIR-YWVKMMECSA-N 0 0 186.295 1.945 10 0 ADAERN C[C@H]1COc2cccc(N)c2NC1=O 258432054 573834082 /nfs/dbraw/zinc/83/40/82/573834082.db2.gz FVDXJRVBZVIEIA-LURJTMIESA-N 0 0 192.218 1.236 10 0 ADAERN CO[C@H]1CS(=O)(=O)c2ccccc21 101018459 573834087 /nfs/dbraw/zinc/83/40/87/573834087.db2.gz XFENYBSMYITKIP-QMMMGPOBSA-N 0 0 198.243 1.161 10 0 ADAERN CN1N=Cc2ccccc2NC1=S 238533456 573834098 /nfs/dbraw/zinc/83/40/98/573834098.db2.gz JOBWGFBUAZNVKF-UHFFFAOYSA-N 0 0 191.259 1.663 10 0 ADAERN Cc1c[nH]c(-c2ccnc(C)n2)n1 125215426 573834107 /nfs/dbraw/zinc/83/41/07/573834107.db2.gz CTIMDQIJGGFKQU-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN CC(C)Oc1nc2cc(N)ccc2[nH]1 87225459 573834153 /nfs/dbraw/zinc/83/41/53/573834153.db2.gz VTXUVPDNOLRJDF-UHFFFAOYSA-N 0 0 191.234 1.932 10 0 ADAERN Cc1c[nH]c(=O)c(C(F)F)c1N 238533508 573834180 /nfs/dbraw/zinc/83/41/80/573834180.db2.gz IMRNBSVVQVJBKE-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC(C)C(=O)[C@@]1(C)CCCO1 87226795 573834190 /nfs/dbraw/zinc/83/41/90/573834190.db2.gz XHHOFGJNODEJQF-SECBINFHSA-N 0 0 156.225 1.781 10 0 ADAERN CC(=O)c1ccc(C=O)c(C)n1 238140472 573834201 /nfs/dbraw/zinc/83/42/01/573834201.db2.gz XJCNTHZSTCRUMP-UHFFFAOYSA-N 0 0 163.176 1.405 10 0 ADAERN C[C@@]1([C@H](O)C2CC2)CCCO1 87227053 573834220 /nfs/dbraw/zinc/83/42/20/573834220.db2.gz XFLJSZXEKMHMOP-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)=CCC(=O)N1CCC[C@H]1O 238140720 573834223 /nfs/dbraw/zinc/83/42/23/573834223.db2.gz KFPXKUZADXJXTK-SECBINFHSA-N 0 0 183.251 1.284 10 0 ADAERN CC[C@H](CC(=O)[O-])[N@@H+]1CC[C@H](F)C1 689826485 573834245 /nfs/dbraw/zinc/83/42/45/573834245.db2.gz IHSZAGXOOKUJNL-JGVFFNPUSA-N 0 0 189.230 1.284 10 0 ADAERN OC1CCC(CNc2ccc[nH]2)CC1 258966501 573834280 /nfs/dbraw/zinc/83/42/80/573834280.db2.gz SIZOSIKPHNPQIC-UHFFFAOYSA-N 0 0 194.278 1.978 10 0 ADAERN C[C@H](O)c1ccc2c(c1F)OCO2 258152956 573834318 /nfs/dbraw/zinc/83/43/18/573834318.db2.gz UGVNLYWEAHKVSD-YFKPBYRVSA-N 0 0 184.166 1.608 10 0 ADAERN C[C@@H]([NH3+])c1ccnn1[C@H]1CCCOC1 257886561 573834303 /nfs/dbraw/zinc/83/43/03/573834303.db2.gz WIZQISFETYQQRL-BDAKNGLRSA-N 0 0 195.266 1.254 10 0 ADAERN CC(C)NC(=O)[C@H]1C[C@@H]1c1ccco1 238156009 573834306 /nfs/dbraw/zinc/83/43/06/573834306.db2.gz APNIFFZNEIINQY-IUCAKERBSA-N 0 0 193.246 1.908 10 0 ADAERN CC(C)=CC[C@H]1C=CNC([S-])=[NH+]1 238155596 573834321 /nfs/dbraw/zinc/83/43/21/573834321.db2.gz DMEASWPLBFRNFV-QMMMGPOBSA-N 0 0 182.292 1.703 10 0 ADAERN COCOC(=O)CC[C@H]1CCCO1 308448078 573834325 /nfs/dbraw/zinc/83/43/25/573834325.db2.gz CCTYDWMBRQDHSP-MRVPVSSYSA-N 0 0 188.223 1.093 10 0 ADAERN Cn1ccnc1[C@H](O)[C@]1(C)CCCO1 87226991 573834363 /nfs/dbraw/zinc/83/43/63/573834363.db2.gz BKQJKOSDJIJRSJ-WPRPVWTQSA-N 0 0 196.250 1.023 10 0 ADAERN C[C@H]1CN(c2cccnc2N)C[C@@H]1C 122864287 573834365 /nfs/dbraw/zinc/83/43/65/573834365.db2.gz CFISXSOOLZPJCQ-IUCAKERBSA-N 0 0 191.278 1.756 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)Cc1ccoc1 689995037 573834368 /nfs/dbraw/zinc/83/43/68/573834368.db2.gz 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/nfs/dbraw/zinc/83/44/76/573834476.db2.gz FJDUFMZIOHDQHD-UHFFFAOYSA-N 0 0 191.234 1.549 10 0 ADAERN CC(C)Oc1ccc2c(n1)NCC2 257887205 573837292 /nfs/dbraw/zinc/83/72/92/573837292.db2.gz MSAVOMHZHBEGMN-UHFFFAOYSA-N 0 0 178.235 1.837 10 0 ADAERN Cc1nn(C)cc1C(=O)C1CC1 84330243 573837303 /nfs/dbraw/zinc/83/73/03/573837303.db2.gz KOILGERDBABNRS-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN CC1CCC(c2ncn(N)c2N)CC1 84339301 573836077 /nfs/dbraw/zinc/83/60/77/573836077.db2.gz WKSUMZXNUJJTLG-UHFFFAOYSA-N 0 0 194.282 1.473 10 0 ADAERN CCCc1ccc(N)c(=O)n1C(C)C 257886582 573836087 /nfs/dbraw/zinc/83/60/87/573836087.db2.gz WJHUBAXNFDBCDW-UHFFFAOYSA-N 0 0 194.278 1.964 10 0 ADAERN CC(C)C[C@@H]1CC(CO)=NO1 238155656 573836092 /nfs/dbraw/zinc/83/60/92/573836092.db2.gz KINUOIILYCZQJN-MRVPVSSYSA-N 0 0 157.213 1.170 10 0 ADAERN CON(C)C(=O)C[C@@H]1CCC[C@H]1C 308448074 573836096 /nfs/dbraw/zinc/83/60/96/573836096.db2.gz CCQSAWSYQDIZHH-BDAKNGLRSA-N 0 0 185.267 1.833 10 0 ADAERN CC[C@H](CC(=O)[O-])[N@@H+]1CC[C@@H](F)C1 689826472 573836102 /nfs/dbraw/zinc/83/61/02/573836102.db2.gz IHSZAGXOOKUJNL-HTQZYQBOSA-N 0 0 189.230 1.284 10 0 ADAERN Cc1cc(C)c(F)c(CCON)c1 258152922 573836107 /nfs/dbraw/zinc/83/61/07/573836107.db2.gz UFYGGGQVKIKXER-UHFFFAOYSA-N 0 0 183.226 1.875 10 0 ADAERN CC[C@@H](OCc1ccco1)C(N)=S 43541368 573836110 /nfs/dbraw/zinc/83/61/10/573836110.db2.gz KBBIZZFBZLDDAV-MRVPVSSYSA-N 0 0 199.275 1.861 10 0 ADAERN C[C@@]1([C@@H](O)CC2CC2)CCCO1 87227286 573836120 /nfs/dbraw/zinc/83/61/20/573836120.db2.gz JUVBCRDCKZEHMQ-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CC(C)NC(=O)[C@H]1CCCCC1=O 238155898 573836125 /nfs/dbraw/zinc/83/61/25/573836125.db2.gz RITUUGQGKNRKKG-QMMMGPOBSA-N 0 0 183.251 1.270 10 0 ADAERN CC(=O)[C@@H](O)C1=CCCCC1 238155058 573836132 /nfs/dbraw/zinc/83/61/32/573836132.db2.gz MOQUMEVAJURZNO-SECBINFHSA-N 0 0 154.209 1.437 10 0 ADAERN C[C@]1([C@@H](O)c2cccnc2)CCCO1 87227018 573836142 /nfs/dbraw/zinc/83/61/42/573836142.db2.gz QYTHNMVMWXFJPW-WDEREUQCSA-N 0 0 193.246 1.684 10 0 ADAERN O[C@]1(Cc2ccoc2)CCCOC1 84336681 573836177 /nfs/dbraw/zinc/83/61/77/573836177.db2.gz YSUXHHJSOZOYPM-JTQLQIEISA-N 0 0 182.219 1.364 10 0 ADAERN CCCC1=N[C@@H]2C[C@H](O)CC[C@H]2O1 258153466 573836187 /nfs/dbraw/zinc/83/61/87/573836187.db2.gz YCQLCXQSDWWUKF-IWSPIJDZSA-N 0 0 183.251 1.497 10 0 ADAERN CC[C@@H](O)[C@]1(C)CCCO1 87227021 573836201 /nfs/dbraw/zinc/83/62/01/573836201.db2.gz PAZYTPSZKTWQQU-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CC/C(=C\C[NH2+]C1CCCC1)C(=O)[O-] 308451494 573836202 /nfs/dbraw/zinc/83/62/02/573836202.db2.gz TXMVLAOVKAISPX-VQHVLOKHSA-N 0 0 197.278 1.940 10 0 ADAERN CC(C)(C)[C@H]1C=C(C(=O)[O-])CC[NH2+]1 257887265 573836210 /nfs/dbraw/zinc/83/62/10/573836210.db2.gz MTMXOKBTERUCSY-MRVPVSSYSA-N 0 0 183.251 1.405 10 0 ADAERN CC[C@H](OCC(C)C)C(N)=S 43541418 573836250 /nfs/dbraw/zinc/83/62/50/573836250.db2.gz PFSNVLDPVMNYHW-ZETCQYMHSA-N 0 0 175.297 1.724 10 0 ADAERN COCOC(=O)CC[C@@H]1CCCO1 308448079 573836275 /nfs/dbraw/zinc/83/62/75/573836275.db2.gz CCTYDWMBRQDHSP-QMMMGPOBSA-N 0 0 188.223 1.093 10 0 ADAERN O=Cc1cnc(C[C@@H]2CCCCO2)o1 258152496 573836280 /nfs/dbraw/zinc/83/62/80/573836280.db2.gz QOFCDOWYRQZLSA-QMMMGPOBSA-N 0 0 195.218 1.599 10 0 ADAERN CC[C@H](O)[C@]1(C)CCCO1 87227020 573836297 /nfs/dbraw/zinc/83/62/97/573836297.db2.gz PAZYTPSZKTWQQU-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN Clc1ccc2c(n1)OCCO2 238532531 573836298 /nfs/dbraw/zinc/83/62/98/573836298.db2.gz JESBUSUJEPXAOS-UHFFFAOYSA-N 0 0 171.583 1.506 10 0 ADAERN CCN1CCc2cc(CO)ccc21 257887264 573836299 /nfs/dbraw/zinc/83/62/99/573836299.db2.gz KSLCOMDDRVYNTN-UHFFFAOYSA-N 0 0 177.247 1.561 10 0 ADAERN C[C@@]1([C@@H](O)c2cncnc2)CCCO1 87227142 573836316 /nfs/dbraw/zinc/83/63/16/573836316.db2.gz NFDGVIADBOANIL-UWVGGRQHSA-N 0 0 194.234 1.079 10 0 ADAERN CC(C)OC(=O)CNCc1cc[nH]c1 308764498 573836324 /nfs/dbraw/zinc/83/63/24/573836324.db2.gz LMEICMBDKGCVKQ-UHFFFAOYSA-N 0 0 196.250 1.056 10 0 ADAERN Cn1cc(-c2cccc(O)c2)cc1N 258153128 573836332 /nfs/dbraw/zinc/83/63/32/573836332.db2.gz PPJNPIFKKXASPP-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN CC(C)[C@H](O)[C@@]1(C)CCCO1 87227253 573836341 /nfs/dbraw/zinc/83/63/41/573836341.db2.gz WQNHITHWCJUBLD-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)[C@@H](O)[C@]1(C)CCCO1 87227252 573836348 /nfs/dbraw/zinc/83/63/48/573836348.db2.gz WQNHITHWCJUBLD-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@]1(Cc2ccco2)CCCOC1 84336685 573836352 /nfs/dbraw/zinc/83/63/52/573836352.db2.gz QCCNENXLYVMZNC-JTQLQIEISA-N 0 0 182.219 1.364 10 0 ADAERN CO[C@@H]1CS(=O)(=O)c2ccccc21 101018458 573836356 /nfs/dbraw/zinc/83/63/56/573836356.db2.gz XFENYBSMYITKIP-MRVPVSSYSA-N 0 0 198.243 1.161 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@@H](O)O1 238154796 573836372 /nfs/dbraw/zinc/83/63/72/573836372.db2.gz QDXJKFCYRKPIRX-BQBZGAKWSA-N 0 0 144.214 1.530 10 0 ADAERN C[C@@]1(c2nsc(N)n2)CCCO1 87226506 573836374 /nfs/dbraw/zinc/83/63/74/573836374.db2.gz DMWZUWRDXJPGSU-ZETCQYMHSA-N 0 0 185.252 1.146 10 0 ADAERN Cc1c(C(N)=O)ccnc1C(F)F 238532937 573836377 /nfs/dbraw/zinc/83/63/77/573836377.db2.gz FEFKSKPUHPZFMB-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN NOC[C@H]1COc2ccc(Cl)cc21 258152713 573836383 /nfs/dbraw/zinc/83/63/83/573836383.db2.gz RCGIFCXYUYLKFP-ZCFIWIBFSA-N 0 0 199.637 1.706 10 0 ADAERN OC1(c2ccncn2)CCCCC1 84334015 573836392 /nfs/dbraw/zinc/83/63/92/573836392.db2.gz AJDQUOPJMVISEL-UHFFFAOYSA-N 0 0 178.235 1.628 10 0 ADAERN Cn1ccnc1C(=O)[C@@]1(C)CCCO1 87226714 573836400 /nfs/dbraw/zinc/83/64/00/573836400.db2.gz PARKFCDFBKBGQU-SNVBAGLBSA-N 0 0 194.234 1.172 10 0 ADAERN COc1ccc2nc(C3CC3)nn2c1 257886777 573836412 /nfs/dbraw/zinc/83/64/12/573836412.db2.gz FZTLWCFKEGNGBU-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN CC(C)C[C@H]1N[C@H](C(C)(C)C)OC1=O 238155281 573836421 /nfs/dbraw/zinc/83/64/21/573836421.db2.gz NWXODVMYZOBQJU-SCZZXKLOSA-N 0 0 199.294 1.920 10 0 ADAERN Cc1cc(F)cc([C@@H]2COC[C@H]2O)c1 687966486 573836433 /nfs/dbraw/zinc/83/64/33/573836433.db2.gz YFGSPQJPPQXFOL-WDEREUQCSA-N 0 0 196.221 1.609 10 0 ADAERN Cc1cc(C)nc(N[C@H]2CC[C@H]2O)n1 585297590 573836443 /nfs/dbraw/zinc/83/64/43/573836443.db2.gz HBCPRVHFDAJBIP-DTWKUNHWSA-N 0 0 193.250 1.029 10 0 ADAERN COc1ccc(C(N)[NH3+])cc1C(C)C 259573494 573836448 /nfs/dbraw/zinc/83/64/48/573836448.db2.gz YSIOBRHNTIMSIY-UHFFFAOYSA-N 0 0 194.278 1.735 10 0 ADAERN C[NH+](C)[C@H](/C=C/C(=O)[O-])c1ccc[nH]1 259573587 573836484 /nfs/dbraw/zinc/83/64/84/573836484.db2.gz PKFOBRHTGLKBBC-VUHVRTRXSA-N 0 0 194.234 1.258 10 0 ADAERN CNC(=O)Nc1nc(C(C)=O)cs1 125221578 573836496 /nfs/dbraw/zinc/83/64/96/573836496.db2.gz RWCZPECTJNWBMC-UHFFFAOYSA-N 0 0 199.235 1.097 10 0 ADAERN C[C@@]1([C@H](O)c2ccco2)CCCO1 87227144 573836500 /nfs/dbraw/zinc/83/65/00/573836500.db2.gz FTFFDGVPLUMWDR-ZJUUUORDSA-N 0 0 182.219 1.882 10 0 ADAERN Cc1cccc(NC(=N)NC#N)c1C 238532504 573836511 /nfs/dbraw/zinc/83/65/11/573836511.db2.gz DQDVZLZBCLJVPG-UHFFFAOYSA-N 0 0 188.234 1.721 10 0 ADAERN CCC[C@@H](O)[C@H](C)[C@H](C)O 100934915 573836514 /nfs/dbraw/zinc/83/65/14/573836514.db2.gz ZMWAURRHTDCQCX-GJMOJQLCSA-N 0 0 146.230 1.164 10 0 ADAERN CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccon1 308762592 573836515 /nfs/dbraw/zinc/83/65/15/573836515.db2.gz YUSYEOPZYSTZIE-WCBMZHEXSA-N 0 0 198.266 1.486 10 0 ADAERN CC[C@H](O)[C@@]1(C)CCCO1 87227022 573836516 /nfs/dbraw/zinc/83/65/16/573836516.db2.gz PAZYTPSZKTWQQU-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CC(=O)c1ccc(Cl)c(N)c1N 238141688 573836530 /nfs/dbraw/zinc/83/65/30/573836530.db2.gz WDSVLPMDAIKEDP-UHFFFAOYSA-N 0 0 184.626 1.707 10 0 ADAERN Cc1cc(C)nc(N[C@@H]2CC[C@@H]2O)n1 585297589 573837325 /nfs/dbraw/zinc/83/73/25/573837325.db2.gz HBCPRVHFDAJBIP-BDAKNGLRSA-N 0 0 193.250 1.029 10 0 ADAERN Nc1ccc(Cn2cccn2)cc1F 87225583 573836562 /nfs/dbraw/zinc/83/65/62/573836562.db2.gz WYLCASSYNRUQBO-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN COC(C)(C)COc1cc[nH+]c(N)c1 393593127 573836572 /nfs/dbraw/zinc/83/65/72/573836572.db2.gz RXRXQBIHQBIHHK-UHFFFAOYSA-N 0 0 196.250 1.298 10 0 ADAERN CC#CCC[NH+]1CC([C@H](C)C(=O)[O-])C1 130102680 573836578 /nfs/dbraw/zinc/83/65/78/573836578.db2.gz XRRFDFWFPGIHHP-VIFPVBQESA-N 0 0 195.262 1.052 10 0 ADAERN Cc1nonc1-c1ccc(C=O)cc1 238533213 573836582 /nfs/dbraw/zinc/83/65/82/573836582.db2.gz RTXQBJJMXWBWFK-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN O=C(CCC(F)F)N1CC=CCC1 393564814 573836583 /nfs/dbraw/zinc/83/65/83/573836583.db2.gz HORGODNKNSNSOX-UHFFFAOYSA-N 0 0 189.205 1.820 10 0 ADAERN CC[C@@H](CC(=O)[O-])[N@@H+]1CC[C@H](F)C1 689826495 573837328 /nfs/dbraw/zinc/83/73/28/573837328.db2.gz IHSZAGXOOKUJNL-YUMQZZPRSA-N 0 0 189.230 1.284 10 0 ADAERN C[S@@](=O)Cc1ccc(N)c(F)c1 87225901 573836591 /nfs/dbraw/zinc/83/65/91/573836591.db2.gz CHIAQPSYWOLTFM-LBPRGKRZSA-N 0 0 187.239 1.286 10 0 ADAERN C[C@@H](CO)Oc1cc(F)cc(C=O)c1 308448375 573836597 /nfs/dbraw/zinc/83/65/97/573836597.db2.gz AJYAEXUVZRLWGN-ZETCQYMHSA-N 0 0 198.193 1.398 10 0 ADAERN Cn1nccc1[C@H](O)[C@]1(C)CCCO1 87227425 573836599 /nfs/dbraw/zinc/83/65/99/573836599.db2.gz QCXDXTQVYRGZQW-UWVGGRQHSA-N 0 0 196.250 1.023 10 0 ADAERN NOC[C@@H]1COc2ccc(Cl)cc21 258152707 573837332 /nfs/dbraw/zinc/83/73/32/573837332.db2.gz RCGIFCXYUYLKFP-LURJTMIESA-N 0 0 199.637 1.706 10 0 ADAERN CC1CCCC1 100997812 573836642 /nfs/dbraw/zinc/83/66/42/573836642.db2.gz BDLSYCBLVCPKPW-UHFFFAOYSA-N 0 0 79.122 1.714 10 0 ADAERN C[C@@]12CC(=O)C[C@@H](C1)C(=O)C2 238532089 573836647 /nfs/dbraw/zinc/83/66/47/573836647.db2.gz SYNVUSXOJKBTEZ-RCOVLWMOSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1nc2c(CCCO)cccc2[nH]1 258152886 573836699 /nfs/dbraw/zinc/83/66/99/573836699.db2.gz UEYULWGVZWYEPM-UHFFFAOYSA-N 0 0 190.246 1.796 10 0 ADAERN COc1cccc2nc(C(C)C)nn12 257886874 573836674 /nfs/dbraw/zinc/83/66/74/573836674.db2.gz GCDGCPSEKOAIKR-UHFFFAOYSA-N 0 0 191.234 1.861 10 0 ADAERN CC(C)([NH3+])c1ccccc1CC(=O)[O-] 238155651 573836688 /nfs/dbraw/zinc/83/66/88/573836688.db2.gz WITPMMKDISWRTH-UHFFFAOYSA-N 0 0 193.246 1.508 10 0 ADAERN CC(C)C[C@H]1N[C@@H](C(C)(C)C)OC1=O 238155202 573836696 /nfs/dbraw/zinc/83/66/96/573836696.db2.gz NWXODVMYZOBQJU-PSASIEDQSA-N 0 0 199.294 1.920 10 0 ADAERN CNC(=O)Nc1ccc(O)c(F)c1 125224698 573836742 /nfs/dbraw/zinc/83/67/42/573836742.db2.gz XYPIQNFDVWLDEG-UHFFFAOYSA-N 0 0 184.170 1.283 10 0 ADAERN C[C@]1(C(=O)CC2CC2)CCCO1 87226776 573836751 /nfs/dbraw/zinc/83/67/51/573836751.db2.gz NCMSDFOHVKZVEY-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN CC(C)(C)c1nc(N)c[nH]1 101011445 573836776 /nfs/dbraw/zinc/83/67/76/573836776.db2.gz CAXWTEDVFDJNRA-UHFFFAOYSA-N 0 0 139.202 1.289 10 0 ADAERN CC(C)(C)OC(=O)c1cnsn1 87222865 573836781 /nfs/dbraw/zinc/83/67/81/573836781.db2.gz WSHQZRLBWKFKPB-UHFFFAOYSA-N 0 0 186.236 1.493 10 0 ADAERN CCCC(=O)[C@@]1(C)CCCO1 87226863 573836806 /nfs/dbraw/zinc/83/68/06/573836806.db2.gz QOOKAIUZXYGCET-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN CC[C@@H]([NH3+])C(=O)CCC1CCOCC1 308762947 573836819 /nfs/dbraw/zinc/83/68/19/573836819.db2.gz YZTNVXQUCXCBEJ-SNVBAGLBSA-N 0 0 199.294 1.500 10 0 ADAERN COc1ccc(C2CC2)c(CON)c1 238357092 573836829 /nfs/dbraw/zinc/83/68/29/573836829.db2.gz QIRBTKJLETYRDX-UHFFFAOYSA-N 0 0 193.246 1.963 10 0 ADAERN O[C@@]1(c2cccnc2)CCSC1 84336335 573836836 /nfs/dbraw/zinc/83/68/36/573836836.db2.gz CJAKVQRGGCJSLP-VIFPVBQESA-N 0 0 181.260 1.406 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](C(N)=O)C1 238154821 573836838 /nfs/dbraw/zinc/83/68/38/573836838.db2.gz KFGOBJVPBNPYTO-HRDYMLBCSA-N 0 0 199.294 1.295 10 0 ADAERN CC[C@H]1CC[C@@H]1[NH2+]Cc1cnn(C)n1 308762548 573836856 /nfs/dbraw/zinc/83/68/56/573836856.db2.gz YSNLNYCWQLLZHO-WPRPVWTQSA-N 0 0 194.282 1.093 10 0 ADAERN O=Cc1noc([C@H]2CCCSC2)n1 257886997 573836916 /nfs/dbraw/zinc/83/69/16/573836916.db2.gz BZNGTZQJXBLYAW-LURJTMIESA-N 0 0 198.247 1.493 10 0 ADAERN COC(=O)C1(c2ncccn2)CCC1 259208422 573836961 /nfs/dbraw/zinc/83/69/61/573836961.db2.gz NQMHSXHTBARJRI-UHFFFAOYSA-N 0 0 192.218 1.071 10 0 ADAERN C[C@@]1([C@H](O)c2cnccn2)CCCO1 87227499 573836966 /nfs/dbraw/zinc/83/69/66/573836966.db2.gz YWGZVSGLSFIUGI-ZJUUUORDSA-N 0 0 194.234 1.079 10 0 ADAERN C[C@H]([NH3+])c1ccnn1[C@@H]1CCCOC1 257886563 573836974 /nfs/dbraw/zinc/83/69/74/573836974.db2.gz WIZQISFETYQQRL-DTWKUNHWSA-N 0 0 195.266 1.254 10 0 ADAERN C[C@]1(c2nsc(N)n2)CCCO1 87226505 573836975 /nfs/dbraw/zinc/83/69/75/573836975.db2.gz DMWZUWRDXJPGSU-SSDOTTSWSA-N 0 0 185.252 1.146 10 0 ADAERN CC(C)OC(=O)CN[C@H](C)C1(C)CC1 308765621 573836977 /nfs/dbraw/zinc/83/69/77/573836977.db2.gz OIJWACILEWJBRC-SECBINFHSA-N 0 0 199.294 1.716 10 0 ADAERN OC/C=C\CNOCc1ccccc1 308451199 573837345 /nfs/dbraw/zinc/83/73/45/573837345.db2.gz RYLTWYIDFWEPMD-PLNGDYQASA-N 0 0 193.246 1.256 10 0 ADAERN CC(C)[C@H](CO)CCC1OCCO1 238154781 573837013 /nfs/dbraw/zinc/83/70/13/573837013.db2.gz LPZPVIBXBWKGGW-VIFPVBQESA-N 0 0 188.267 1.404 10 0 ADAERN Cc1cccc2cnc([C@@H](C)O)n12 257887236 573837033 /nfs/dbraw/zinc/83/70/33/573837033.db2.gz MSXHIQZWIRJUNS-MRVPVSSYSA-N 0 0 176.219 1.696 10 0 ADAERN C[C@@H](O)c1cnc(C[C@@H]2CCCO2)o1 257887522 573837045 /nfs/dbraw/zinc/83/70/45/573837045.db2.gz ATKGVCWZTUGPJT-SFYZADRCSA-N 0 0 197.234 1.449 10 0 ADAERN COC/C=C/C(=O)N[C@@H]1CC[C@@H]1C 308451697 573837052 /nfs/dbraw/zinc/83/70/52/573837052.db2.gz DQLDAUZBAGALHI-DXMIZCBPSA-N 0 0 183.251 1.104 10 0 ADAERN CNC(=O)N1CCCC[C@H]1CC(C)=O 125219154 573837057 /nfs/dbraw/zinc/83/70/57/573837057.db2.gz SOLQUIMFGNELTM-VIFPVBQESA-N 0 0 198.266 1.159 10 0 ADAERN O=C1C[C@H](C2CCCCCC2)N1 84330657 573837070 /nfs/dbraw/zinc/83/70/70/573837070.db2.gz APEWOAYLQUBACD-SECBINFHSA-N 0 0 167.252 1.845 10 0 ADAERN CN(C)/C=C/Cl 100994149 573837071 /nfs/dbraw/zinc/83/70/71/573837071.db2.gz YSDPJBXWIOKILQ-ONEGZZNKSA-N 0 0 105.568 1.258 10 0 ADAERN CC(C)NC(=O)[C@H]1C[C@H]1c1ccco1 238156033 573837078 /nfs/dbraw/zinc/83/70/78/573837078.db2.gz APNIFFZNEIINQY-BDAKNGLRSA-N 0 0 193.246 1.908 10 0 ADAERN COC/C=C/C(=O)OCC[C@H](C)F 308448122 573837082 /nfs/dbraw/zinc/83/70/82/573837082.db2.gz CFKMSQGPTQPCPU-RTMURIBGSA-N 0 0 190.214 1.480 10 0 ADAERN Cn1c(C=O)cc(C=O)c1Cl 238533600 573837102 /nfs/dbraw/zinc/83/71/02/573837102.db2.gz XGUMMVMUAMFENP-UHFFFAOYSA-N 0 0 171.583 1.304 10 0 ADAERN CC1CCC([C@@H](C(=O)[O-])[NH+](C)C)CC1 84339718 573837132 /nfs/dbraw/zinc/83/71/32/573837132.db2.gz HELXYRQDNAESBD-RTBKNWGFSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@]12C=C[C@@H](CCC1=O)C2 238532182 573837147 /nfs/dbraw/zinc/83/71/47/573837147.db2.gz WUHFLISGOUGASY-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN Cc1cccc2nc3n(c12)C(=O)CC3 238532212 573837154 /nfs/dbraw/zinc/83/71/54/573837154.db2.gz LPAZMYFJFGKZML-UHFFFAOYSA-N 0 0 186.214 1.999 10 0 ADAERN Cc1c(O)c(=O)oc2ccc(O)cc12 238532361 573837157 /nfs/dbraw/zinc/83/71/57/573837157.db2.gz NBYIYMRIMRNDGB-UHFFFAOYSA-N 0 0 192.170 1.513 10 0 ADAERN C[C@@H](O)c1cnc(C[C@H]2CCCO2)o1 257887512 573837170 /nfs/dbraw/zinc/83/71/70/573837170.db2.gz ATKGVCWZTUGPJT-HTQZYQBOSA-N 0 0 197.234 1.449 10 0 ADAERN CC1CCC(CNN)CC1 84339609 573837210 /nfs/dbraw/zinc/83/72/10/573837210.db2.gz WOJHDRWDCJGWLX-UHFFFAOYSA-N 0 0 142.246 1.276 10 0 ADAERN COc1ccc(C)c(O)c1C(C)(C)O 258152870 573837223 /nfs/dbraw/zinc/83/72/23/573837223.db2.gz UESISZLLODYLQJ-UHFFFAOYSA-N 0 0 196.246 1.937 10 0 ADAERN CC(C)OC(=O)CNC/C=C\Cl 308767785 573837243 /nfs/dbraw/zinc/83/72/43/573837243.db2.gz RTLCMTNQCDGGPS-ARJAWSKDSA-N 0 0 191.658 1.280 10 0 ADAERN CC1CCC(C[C@H]([NH3+])C(=O)[O-])CC1 84330913 573837245 /nfs/dbraw/zinc/83/72/45/573837245.db2.gz ZJAOOFZQGVLEHN-HACHORDNSA-N 0 0 185.267 1.615 10 0 ADAERN CC[C@@H]1CC[C@@H]1[NH2+]Cc1cnn(C)n1 308762541 573837280 /nfs/dbraw/zinc/83/72/80/573837280.db2.gz YSNLNYCWQLLZHO-SCZZXKLOSA-N 0 0 194.282 1.093 10 0 ADAERN CC(C)C[C@@H]1CC[NH2+][C@@](C)(C(=O)[O-])C1 258152217 573837255 /nfs/dbraw/zinc/83/72/55/573837255.db2.gz AZQIIASMKJREAW-GXSJLCMTSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1c(N)n[nH]c1C1CCSCC1 257886607 573837273 /nfs/dbraw/zinc/83/72/73/573837273.db2.gz WJRRBNHNHAXFCK-UHFFFAOYSA-N 0 0 197.307 1.911 10 0 ADAERN CC1=CCC(=O)C1 101103040 573839406 /nfs/dbraw/zinc/83/94/06/573839406.db2.gz BKBKRMYACDINSI-UHFFFAOYSA-N 0 0 96.129 1.296 10 0 ADAERN COCN(C)c1ccccn1 259208049 573838144 /nfs/dbraw/zinc/83/81/44/573838144.db2.gz WYTSJMLOLSOVMI-UHFFFAOYSA-N 0 0 152.197 1.122 10 0 ADAERN Cc1cccc(O)c1C1=NCCO1 238534992 573838177 /nfs/dbraw/zinc/83/81/77/573838177.db2.gz JNARYIRRFYXHEQ-UHFFFAOYSA-N 0 0 177.203 1.477 10 0 ADAERN C[C@@H](CCNN)c1ccccc1 43535596 573838157 /nfs/dbraw/zinc/83/81/57/573838157.db2.gz PTQZDHNFCNJEGV-VIFPVBQESA-N 0 0 164.252 1.644 10 0 ADAERN CC(C)[C@@H]1CO[C@H](O)C1(F)F 238157700 573841627 /nfs/dbraw/zinc/84/16/27/573841627.db2.gz KOKDPQHTYGXWJE-WDSKDSINSA-N 0 0 166.167 1.243 10 0 ADAERN CC[C@H](COC)Nc1nc(C)co1 308448021 573838174 /nfs/dbraw/zinc/83/81/74/573838174.db2.gz CAOXWVNVOOZWKF-MRVPVSSYSA-N 0 0 184.239 1.820 10 0 ADAERN C[C@@H](O)CC[C@H]1CCCOC1 84350761 573848586 /nfs/dbraw/zinc/84/85/86/573848586.db2.gz BNOQAXQXOHCGGI-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1nc(Cl)nc2ccn(C)c12 238534743 573839408 /nfs/dbraw/zinc/83/94/08/573839408.db2.gz AOMBNQXRHAPKCH-UHFFFAOYSA-N 0 0 181.626 1.930 10 0 ADAERN C[C@@H](O)Cc1cc(O)c2c(c1)OCO2 258152988 573838084 /nfs/dbraw/zinc/83/80/84/573838084.db2.gz UHIYFXWQMOYULZ-ZCFIWIBFSA-N 0 0 196.202 1.044 10 0 ADAERN CC[NH2+]Cc1ccc(C)cc1C(=O)[O-] 258153231 573838099 /nfs/dbraw/zinc/83/80/99/573838099.db2.gz PSWIWWWASDRAOR-UHFFFAOYSA-N 0 0 193.246 1.803 10 0 ADAERN COc1ccc(C)c(F)c1CON 258153037 573838103 /nfs/dbraw/zinc/83/81/03/573838103.db2.gz UIVLUTNMRSFMQW-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN CC[C@H](C(C)C)[C@@H](O)CO 100968646 573838123 /nfs/dbraw/zinc/83/81/23/573838123.db2.gz ZWQXMQXIOXUFGK-SFYZADRCSA-N 0 0 146.230 1.022 10 0 ADAERN CC(C)c1nc([C@]2(C)CCCO2)n[nH]1 87230296 573838130 /nfs/dbraw/zinc/83/81/30/573838130.db2.gz LQKNOZYDJRTIGX-JTQLQIEISA-N 0 0 195.266 1.954 10 0 ADAERN Cn1nc([C@@H]2CCSC2)cc1C=O 259208912 573838131 /nfs/dbraw/zinc/83/81/31/573838131.db2.gz LBZIDFSKIHIUPI-SSDOTTSWSA-N 0 0 196.275 1.453 10 0 ADAERN Cc1c(O)c(N=O)c([O-])c(N=O)c1O 238535507 573838188 /nfs/dbraw/zinc/83/81/88/573838188.db2.gz HCQFYPBSIFPUKO-UHFFFAOYSA-N 0 0 198.134 1.908 10 0 ADAERN CCC1([C@@H](O)c2ncn(C)n2)CCC1 714756985 573838189 /nfs/dbraw/zinc/83/81/89/573838189.db2.gz GJAVPALFYVARHO-QMMMGPOBSA-N 0 0 195.266 1.429 10 0 ADAERN C[C@]1([C@H](O)c2cc[nH]c2)CCCO1 87230869 573838234 /nfs/dbraw/zinc/83/82/34/573838234.db2.gz CCQWJIDFJNAWDE-NXEZZACHSA-N 0 0 181.235 1.617 10 0 ADAERN CC(C)(C)OC(=O)[C@@]1(C)CCCO1 87230400 573838241 /nfs/dbraw/zinc/83/82/41/573838241.db2.gz SUVQJADOOXPNKZ-SNVBAGLBSA-N 0 0 186.251 1.897 10 0 ADAERN C[C@@H](CO)Oc1ccc(F)cc1C=O 308448370 573838252 /nfs/dbraw/zinc/83/82/52/573838252.db2.gz AJVOCOMDGLJAFX-ZETCQYMHSA-N 0 0 198.193 1.398 10 0 ADAERN C[C@]1(c2nc(C=O)c[nH]2)CCCO1 87229461 573838272 /nfs/dbraw/zinc/83/82/72/573838272.db2.gz VPLAEHCOBQKFMO-SECBINFHSA-N 0 0 180.207 1.248 10 0 ADAERN Cc1c[nH]c(=O)c(CO)c1C(F)F 238534022 573838281 /nfs/dbraw/zinc/83/82/81/573838281.db2.gz NVCCWWWXGDKYRZ-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(=O)Oc1ccc(NC=O)cc1 79464150 573838284 /nfs/dbraw/zinc/83/82/84/573838284.db2.gz BSPHMCOPAAWQKT-UHFFFAOYSA-N 0 0 179.175 1.180 10 0 ADAERN CC(=O)c1nc([C@@]2(C)CCCO2)no1 87229400 573838306 /nfs/dbraw/zinc/83/83/06/573838306.db2.gz VLASHTMQGAEZEQ-SECBINFHSA-N 0 0 196.206 1.298 10 0 ADAERN Cc1nccc(C(=[NH2+])N2CCCC2)n1 125234950 573838308 /nfs/dbraw/zinc/83/83/08/573838308.db2.gz CQTKVXDKTRLCTO-UHFFFAOYSA-N 0 0 190.250 1.206 10 0 ADAERN CC[C@@H](O)C(=O)N[C@@H](C)C1CCC1 308451671 573838320 /nfs/dbraw/zinc/83/83/20/573838320.db2.gz DOYIAPPKFYLXCG-IONNQARKSA-N 0 0 185.267 1.062 10 0 ADAERN CCCC(=O)CC1=NCCO1 259209094 573838434 /nfs/dbraw/zinc/83/84/34/573838434.db2.gz NRSKEDRDONADEE-UHFFFAOYSA-N 0 0 155.197 1.174 10 0 ADAERN OCC[C@@H]1C[C@@H]2CC[C@H]1C2 100940877 573838435 /nfs/dbraw/zinc/83/84/35/573838435.db2.gz KCJSRRQHLVFCEM-HRDYMLBCSA-N 0 0 140.226 1.805 10 0 ADAERN CC[C@H]([NH3+])C(=O)CCC1CCOCC1 308762946 573838437 /nfs/dbraw/zinc/83/84/37/573838437.db2.gz YZTNVXQUCXCBEJ-JTQLQIEISA-N 0 0 199.294 1.500 10 0 ADAERN Cc1coc(NCCOCC2CC2)n1 308764923 573838351 /nfs/dbraw/zinc/83/83/51/573838351.db2.gz ZZHRPRKVGPGJIT-UHFFFAOYSA-N 0 0 196.250 1.822 10 0 ADAERN Cc1c[nH]c(=O)c(O)c1C(F)F 238534215 573838356 /nfs/dbraw/zinc/83/83/56/573838356.db2.gz QJGOVUVKDTWGMF-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN C[C@H](O)Cc1cnc(-c2ccco2)o1 258149949 573838358 /nfs/dbraw/zinc/83/83/58/573838358.db2.gz QJYBVHNQPLHSPU-ZETCQYMHSA-N 0 0 193.202 1.858 10 0 ADAERN CC(C)c1nc([C@@]2(C)CCCO2)n[nH]1 87230297 573838360 /nfs/dbraw/zinc/83/83/60/573838360.db2.gz LQKNOZYDJRTIGX-SNVBAGLBSA-N 0 0 195.266 1.954 10 0 ADAERN Cc1nc(-c2ccc[nH]2)n(O)c1C 238533991 573838373 /nfs/dbraw/zinc/83/83/73/573838373.db2.gz PMJBCAVSANYMPA-UHFFFAOYSA-N 0 0 177.207 1.732 10 0 ADAERN CCCc1nnc([C@]2(C)CCCO2)[nH]1 87230298 573838420 /nfs/dbraw/zinc/83/84/20/573838420.db2.gz LAKJDAWRUKNIEH-JTQLQIEISA-N 0 0 195.266 1.783 10 0 ADAERN O=C1NCc2cc(OC(F)F)ccc21 238534402 573839416 /nfs/dbraw/zinc/83/94/16/573839416.db2.gz RISRPYDKGAYMRT-UHFFFAOYSA-N 0 0 199.156 1.531 10 0 ADAERN OC1(Cc2ccsc2)CSC1 84347166 573839420 /nfs/dbraw/zinc/83/94/20/573839420.db2.gz OERPNSZSNNOOHA-UHFFFAOYSA-N 0 0 186.301 1.769 10 0 ADAERN C[C@]1(C(=O)Cc2ncc[nH]2)CCCO1 87229776 573839839 /nfs/dbraw/zinc/83/98/39/573839839.db2.gz AEBGKPBLWIHEJP-SNVBAGLBSA-N 0 0 194.234 1.090 10 0 ADAERN CC[C@@H](CO)C(=O)O[C@H](C)CC 78216980 573841634 /nfs/dbraw/zinc/84/16/34/573841634.db2.gz BKGPGSCHRCJVLI-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN Cc1oc(N)nc1[C@H]1CCSC1 259623070 573839849 /nfs/dbraw/zinc/83/98/49/573839849.db2.gz FKWSFMLSJYGTRO-LURJTMIESA-N 0 0 184.264 1.786 10 0 ADAERN O=C1NC=CNc2cc(Cl)ccc21 238534530 573839247 /nfs/dbraw/zinc/83/92/47/573839247.db2.gz GUYDEZGKKPYVOT-UHFFFAOYSA-N 0 0 194.621 1.967 10 0 ADAERN CC[C@@H](OCC1CC1)C(N)=S 43541743 573839860 /nfs/dbraw/zinc/83/98/60/573839860.db2.gz OLAFKQPIICNJHB-SSDOTTSWSA-N 0 0 173.281 1.478 10 0 ADAERN CC[C@H]1COC[C@]12CCC(=O)O2 687973378 573839263 /nfs/dbraw/zinc/83/92/63/573839263.db2.gz VROUCSOHCBUWHY-IONNQARKSA-N 0 0 170.208 1.119 10 0 ADAERN CCC[C@H](Oc1ccccc1)C(N)=O 78684627 573839272 /nfs/dbraw/zinc/83/92/72/573839272.db2.gz PSJNWRRIPQIURU-JTQLQIEISA-N 0 0 193.246 1.719 10 0 ADAERN CC(=O)[C@@H](O)[C@H]1CC=CCC1 238156312 573839275 /nfs/dbraw/zinc/83/92/75/573839275.db2.gz KZIJRTCRHGPRCK-DTWKUNHWSA-N 0 0 154.209 1.293 10 0 ADAERN C[C@H]1CCC[C@@](C[NH+](C)C)(C(=O)[O-])C1 84347243 573839286 /nfs/dbraw/zinc/83/92/86/573839286.db2.gz NDVOQGSSLYYWIK-GXSJLCMTSA-N 0 0 199.294 1.829 10 0 ADAERN CN(Cc1c[nH]cn1)[C@H]1CCC[C@@H]1F 585296919 573839289 /nfs/dbraw/zinc/83/92/89/573839289.db2.gz OXHFEXOGNXLKJX-UWVGGRQHSA-N 0 0 197.257 1.732 10 0 ADAERN CSCC(=O)[C@@]1(C)CCCO1 87230236 573839317 /nfs/dbraw/zinc/83/93/17/573839317.db2.gz BVDIHZWCPDPHCN-MRVPVSSYSA-N 0 0 174.265 1.488 10 0 ADAERN Cc1ccc([C@H]2CC2(CO)CO)cc1 238535406 573839320 /nfs/dbraw/zinc/83/93/20/573839320.db2.gz KCHBZUKGMBFXKY-LLVKDONJSA-N 0 0 192.258 1.453 10 0 ADAERN 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/nfs/dbraw/zinc/84/07/95/573840795.db2.gz KZIJRTCRHGPRCK-RKDXNWHRSA-N 0 0 154.209 1.293 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C(C)(C)C)C1 214988929 573840796 /nfs/dbraw/zinc/84/07/96/573840796.db2.gz RXVHARIVSSLJOK-DTWKUNHWSA-N 0 0 199.294 1.685 10 0 ADAERN CC(C)N1CCCC(=O)N(C)C1=O 125232304 573840799 /nfs/dbraw/zinc/84/07/99/573840799.db2.gz JGZQZHFWMFACQA-UHFFFAOYSA-N 0 0 184.239 1.069 10 0 ADAERN CCCc1nnc([C@@]2(C)CCCO2)[nH]1 87230299 573840805 /nfs/dbraw/zinc/84/08/05/573840805.db2.gz LAKJDAWRUKNIEH-SNVBAGLBSA-N 0 0 195.266 1.783 10 0 ADAERN CC(C)[C@@H]1COC(=O)[C@H](C(C)(C)C)N1 238157132 573840808 /nfs/dbraw/zinc/84/08/08/573840808.db2.gz FJHQCLMQEPMFLJ-DTWKUNHWSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1cscc1[C@@H]([NH3+])CCC(=O)[O-] 214986997 573840841 /nfs/dbraw/zinc/84/08/41/573840841.db2.gz IEPVDGWMBWSAIV-QMMMGPOBSA-N 0 0 199.275 1.921 10 0 ADAERN CC(=O)c1ncc(CO)cc1C 238158421 573840847 /nfs/dbraw/zinc/84/08/47/573840847.db2.gz GZODRSTZWRRGBZ-UHFFFAOYSA-N 0 0 165.192 1.085 10 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FFXFVSAKXVHNIA-ZJUUUORDSA-N 0 0 170.252 1.884 10 0 ADAERN Cc1c(O)c(C)c(O)c(N=O)c1O 238533966 573841588 /nfs/dbraw/zinc/84/15/88/573841588.db2.gz WGCJCBDZZUTTGI-UHFFFAOYSA-N 0 0 183.163 1.818 10 0 ADAERN CCN[C@H](C=C(C)C)c1cnn(C)n1 308450624 573841589 /nfs/dbraw/zinc/84/15/89/573841589.db2.gz CDDYOKVUYCEABK-SECBINFHSA-N 0 0 194.282 1.432 10 0 ADAERN C[N@H+](Cc1ccncc1)[C@@H]1CC[C@H]1O 585297630 573840930 /nfs/dbraw/zinc/84/09/30/573840930.db2.gz HUUXUXQQLLBBTK-GHMZBOCLSA-N 0 0 192.262 1.037 10 0 ADAERN CSc1ccc(CCO)c(O)c1 258150442 573840933 /nfs/dbraw/zinc/84/09/33/573840933.db2.gz TYLUTNGXOKDZHA-UHFFFAOYSA-N 0 0 184.260 1.649 10 0 ADAERN Cc1cc(Cl)cc(C2(O)C[NH2+]C2)c1 238535493 573840941 /nfs/dbraw/zinc/84/09/41/573840941.db2.gz SVMCVDFDCOXDCO-UHFFFAOYSA-N 0 0 197.665 1.439 10 0 ADAERN Cc1nc([C@@H](CCC2CC2)NN)co1 308450674 573840953 /nfs/dbraw/zinc/84/09/53/573840953.db2.gz CFSSBSBRDBRTKT-SECBINFHSA-N 0 0 195.266 1.678 10 0 ADAERN CC(C)NC(=O)c1[nH]c(=O)ccc1F 238157639 573840964 /nfs/dbraw/zinc/84/09/64/573840964.db2.gz RYUSDYACVGYFHW-UHFFFAOYSA-N 0 0 198.197 1.065 10 0 ADAERN OC1(Cc2ccc3n[nH]nc3c2)CC1 258150561 573840990 /nfs/dbraw/zinc/84/09/90/573840990.db2.gz UALIVJZLIXPPKN-UHFFFAOYSA-N 0 0 189.218 1.025 10 0 ADAERN C[C@]1(c2ncc(C=O)s2)CCCO1 87228993 573840997 /nfs/dbraw/zinc/84/09/97/573840997.db2.gz GLVVLOUNLMQNQL-SECBINFHSA-N 0 0 197.259 1.981 10 0 ADAERN CC(=O)c1ncc(F)cc1O 238158670 573841030 /nfs/dbraw/zinc/84/10/30/573841030.db2.gz KZGIOJXEMBXDQV-UHFFFAOYSA-N 0 0 155.128 1.129 10 0 ADAERN Cc1cc(Cl)c2nncn2c1 238535010 573841031 /nfs/dbraw/zinc/84/10/31/573841031.db2.gz DMTRUXXNNNMUMA-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H]2CC(=O)N2)C1 84347175 573841042 /nfs/dbraw/zinc/84/10/42/573841042.db2.gz TYTVZOHFLNFLQW-HLTSFMKQSA-N 0 0 167.252 1.701 10 0 ADAERN OCNc1ccc(Cl)s1 258968455 573841051 /nfs/dbraw/zinc/84/10/51/573841051.db2.gz UPYAEUZWSULRGS-UHFFFAOYSA-N 0 0 163.629 1.763 10 0 ADAERN Cc1cc(-c2ccccc2O)nn1O 238534249 573841052 /nfs/dbraw/zinc/84/10/52/573841052.db2.gz HSKBVFIFWOTIRW-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CC(=O)c1nc(C)n2cc(C)oc12 238156779 573841053 /nfs/dbraw/zinc/84/10/53/573841053.db2.gz FQZUXRMBJAYSBO-UHFFFAOYSA-N 0 0 178.191 1.747 10 0 ADAERN C[C@@H]([NH2+]C/C=C\C(=O)[O-])c1ccco1 308450588 573841054 /nfs/dbraw/zinc/84/10/54/573841054.db2.gz SPWBKAATXFAARQ-ZTHSNPKKSA-N 0 0 195.218 1.571 10 0 ADAERN COC(=O)[C@H](O)C1CCC(C)CC1 84339789 573841064 /nfs/dbraw/zinc/84/10/64/573841064.db2.gz OPKVRUYHMKNHTQ-AMDVSUOASA-N 0 0 186.251 1.347 10 0 ADAERN OCc1c(F)cc(F)c2c1CCO2 258150624 573841103 /nfs/dbraw/zinc/84/11/03/573841103.db2.gz UBXPFABVWAJNDS-UHFFFAOYSA-N 0 0 186.157 1.392 10 0 ADAERN CCNc1nc([C@@]2(C)CCCO2)no1 87229242 573841115 /nfs/dbraw/zinc/84/11/15/573841115.db2.gz KTQLZOAYEFVDNV-SECBINFHSA-N 0 0 197.238 1.527 10 0 ADAERN Nc1ccc(Cc2nccs2)nc1 122876631 573841117 /nfs/dbraw/zinc/84/11/17/573841117.db2.gz RSVNWMJEXSUSLT-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CC(C)C[C@@H]1CC[N@H+](C)C[C@@H]1C(=O)[O-] 214988769 573841124 /nfs/dbraw/zinc/84/11/24/573841124.db2.gz YLCKPTHMKKOOIJ-UWVGGRQHSA-N 0 0 199.294 1.685 10 0 ADAERN Cc1nc(Cl)sc1CCO 238535343 573841129 /nfs/dbraw/zinc/84/11/29/573841129.db2.gz JFGDQUBHDRGZTR-UHFFFAOYSA-N 0 0 177.656 1.640 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C(C)(C)C)C1 214988974 573841150 /nfs/dbraw/zinc/84/11/50/573841150.db2.gz RXVHARIVSSLJOK-IUCAKERBSA-N 0 0 199.294 1.685 10 0 ADAERN CC(=O)[C@@]1(C)O[C@@H]1CC(C)C 238156901 573841157 /nfs/dbraw/zinc/84/11/57/573841157.db2.gz VERRHZKNOULORZ-RKDXNWHRSA-N 0 0 156.225 1.779 10 0 ADAERN Cc1ccc(C(C)C)cc1NCNN 259208125 573841170 /nfs/dbraw/zinc/84/11/70/573841170.db2.gz WZTXSZDTAJEPDN-UHFFFAOYSA-N 0 0 193.294 1.951 10 0 ADAERN CC1CCC([C@H]2COC(=O)N2)CC1 84340298 573841173 /nfs/dbraw/zinc/84/11/73/573841173.db2.gz KAGCSYJTNOTDGK-AMDVSUOASA-N 0 0 183.251 1.921 10 0 ADAERN CCn1cc(-c2ccc(N)cn2)cn1 122868529 573841196 /nfs/dbraw/zinc/84/11/96/573841196.db2.gz SXOXKIAHZHCZEC-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN N=C1C(=O)Nc2cc(Cl)ccc21 238534386 573841198 /nfs/dbraw/zinc/84/11/98/573841198.db2.gz WMJZIPHBFLQSNV-UHFFFAOYSA-N 0 0 180.594 1.660 10 0 ADAERN CN(c1ncccn1)[C@H]1CCC[C@@H]1F 585297248 573841203 /nfs/dbraw/zinc/84/12/03/573841203.db2.gz ZNIOBLBZGGZSPX-IUCAKERBSA-N 0 0 195.241 1.803 10 0 ADAERN CC(C)OCc1cnsc1N 257887430 573841595 /nfs/dbraw/zinc/84/15/95/573841595.db2.gz IKFPMZLFCSZQEZ-UHFFFAOYSA-N 0 0 172.253 1.650 10 0 ADAERN Cc1nsc2ncc(N)c(N)c12 238534559 573841223 /nfs/dbraw/zinc/84/12/23/573841223.db2.gz CJOKYNFBRRJKTA-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN O=C1Cc2cc(OC(F)F)ccc2N1 238534604 573841232 /nfs/dbraw/zinc/84/12/32/573841232.db2.gz MDKUVASREZQKCD-UHFFFAOYSA-N 0 0 199.156 1.783 10 0 ADAERN CN(c1ccccn1)[C@@H]1COC[C@H]1F 585297515 573841597 /nfs/dbraw/zinc/84/15/97/573841597.db2.gz FWTXSUSDMHORJD-RKDXNWHRSA-N 0 0 196.225 1.255 10 0 ADAERN C[C@@]1(C(=O)Cc2ncc[nH]2)CCCO1 87229777 573841253 /nfs/dbraw/zinc/84/12/53/573841253.db2.gz AEBGKPBLWIHEJP-JTQLQIEISA-N 0 0 194.234 1.090 10 0 ADAERN CCC[C@H]1C[C@H](CO)CCO1 84348289 573841258 /nfs/dbraw/zinc/84/12/58/573841258.db2.gz DUHOFIFZSMPYNY-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN COC(=O)[C@]1(c2ccccn2)C[C@@H]1C 258967100 573841259 /nfs/dbraw/zinc/84/12/59/573841259.db2.gz HOHINAZQYBOSMZ-GZMMTYOYSA-N 0 0 191.230 1.532 10 0 ADAERN OCCn1ccc2c[nH+]ccc21 258150236 573841261 /nfs/dbraw/zinc/84/12/61/573841261.db2.gz PIQIJCMPVBHVDC-UHFFFAOYSA-N 0 0 162.192 1.029 10 0 ADAERN CO[C@H](C)C[C@]1(CO)CCO[C@@H]1C 127394811 573841267 /nfs/dbraw/zinc/84/12/67/573841267.db2.gz AATAVFZTEYKIJJ-BBBLOLIVSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@]1(c2noc(Cl)n2)CCCO1 87228987 573841295 /nfs/dbraw/zinc/84/12/95/573841295.db2.gz WYAXNZHTXPVREJ-SSDOTTSWSA-N 0 0 188.614 1.749 10 0 ADAERN C[C@@H](CO)c1cccc2c1COCO2 258150492 573841297 /nfs/dbraw/zinc/84/12/97/573841297.db2.gz TZEDKYWFMPTWKE-QMMMGPOBSA-N 0 0 194.230 1.649 10 0 ADAERN CC(C)CO[C@H]1OCCC[C@@H]1O 238156284 573841298 /nfs/dbraw/zinc/84/12/98/573841298.db2.gz HMSZQHGXWMTMPA-DTWKUNHWSA-N 0 0 174.240 1.156 10 0 ADAERN C[C@]1(c2nc(Cl)n[nH]2)CCCO1 87229467 573841322 /nfs/dbraw/zinc/84/13/22/573841322.db2.gz IDFKMXXQISHGJQ-SSDOTTSWSA-N 0 0 187.630 1.484 10 0 ADAERN C[C@@]1([C@H](O)c2ccc[nH]2)CCCO1 87230866 573841348 /nfs/dbraw/zinc/84/13/48/573841348.db2.gz SCHZPZVKAVAYGD-ZJUUUORDSA-N 0 0 181.235 1.617 10 0 ADAERN COC(=O)c1cc(C)c(C)c(CO)c1 258150589 573841349 /nfs/dbraw/zinc/84/13/49/573841349.db2.gz UBBOTLCBITXTBY-UHFFFAOYSA-N 0 0 194.230 1.582 10 0 ADAERN CCN(C(=O)c1ccno1)C1CC1 308449797 573841357 /nfs/dbraw/zinc/84/13/57/573841357.db2.gz CYDJXXQJDMNTKJ-UHFFFAOYSA-N 0 0 180.207 1.299 10 0 ADAERN CSCC(=O)[C@]1(C)CCCO1 87230237 573841364 /nfs/dbraw/zinc/84/13/64/573841364.db2.gz BVDIHZWCPDPHCN-QMMMGPOBSA-N 0 0 174.265 1.488 10 0 ADAERN C[C@@H](O)c1nc([C@]2(C)CCCO2)no1 87229416 573841368 /nfs/dbraw/zinc/84/13/68/573841368.db2.gz RLJICQUJZQMGMI-MUWHJKNJSA-N 0 0 198.222 1.149 10 0 ADAERN Cc1c(C(F)F)[nH]cc(N)c1=O 238535450 573841369 /nfs/dbraw/zinc/84/13/69/573841369.db2.gz LYRUDTQLMQSTQN-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CCCOC(=O)[C@]1(C)CCCO1 87230398 573841387 /nfs/dbraw/zinc/84/13/87/573841387.db2.gz QGHMSMYVIIZPGE-VIFPVBQESA-N 0 0 172.224 1.509 10 0 ADAERN O=C1Cc2ccc(OC(F)F)cc2N1 238534500 573841411 /nfs/dbraw/zinc/84/14/11/573841411.db2.gz SAXRRZGUQAMIPL-UHFFFAOYSA-N 0 0 199.156 1.783 10 0 ADAERN CCc1nnc([C@@]2(C)CCCO2)[nH]1 87230295 573841412 /nfs/dbraw/zinc/84/14/12/573841412.db2.gz YFESINQHCLIIPP-SECBINFHSA-N 0 0 181.239 1.393 10 0 ADAERN Cc1nc(CN[C@@H]2CC[C@@H]2O)cs1 585297322 573841420 /nfs/dbraw/zinc/84/14/20/573841420.db2.gz AVYMPIZLLUDKAT-BDAKNGLRSA-N 0 0 198.291 1.064 10 0 ADAERN CC(=O)c1ncc(C=O)cc1C 238158167 573841601 /nfs/dbraw/zinc/84/16/01/573841601.db2.gz WAXNODOQABUIGC-UHFFFAOYSA-N 0 0 163.176 1.405 10 0 ADAERN CC1CCC([C@H]2CC(=O)N2)CC1 84340111 573841438 /nfs/dbraw/zinc/84/14/38/573841438.db2.gz PLIGVGPWZQZJHW-AMDVSUOASA-N 0 0 167.252 1.701 10 0 ADAERN O=C(Cc1ncccn1)C1CCCC1 259207923 573841462 /nfs/dbraw/zinc/84/14/62/573841462.db2.gz QTHAZQLZAZTKGA-UHFFFAOYSA-N 0 0 190.246 1.778 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1NC(N)=O 238157541 573841479 /nfs/dbraw/zinc/84/14/79/573841479.db2.gz IMLCFHQDNXLVJF-PHDIDXHHSA-N 0 0 156.229 1.089 10 0 ADAERN CC(C)C[C@H]1CNc2nonc2N1C 238159176 573841494 /nfs/dbraw/zinc/84/14/94/573841494.db2.gz JXVUBYWYMNANNR-ZETCQYMHSA-N 0 0 196.254 1.346 10 0 ADAERN C[C@]1(c2n[nH]c(C3CC3)n2)CCCO1 87230300 573841495 /nfs/dbraw/zinc/84/14/95/573841495.db2.gz IMWRNLHMLVGZLN-SNVBAGLBSA-N 0 0 193.250 1.708 10 0 ADAERN CC(C)NC(=S)N(N)C(C)(C)C 238158475 573841497 /nfs/dbraw/zinc/84/14/97/573841497.db2.gz CTBYBXPCKRRQLJ-UHFFFAOYSA-N 0 0 189.328 1.244 10 0 ADAERN C[C@@H]1CCC[C@@H](CNN)C1 84344049 573841502 /nfs/dbraw/zinc/84/15/02/573841502.db2.gz AKKJHRZSNJWTAM-HTQZYQBOSA-N 0 0 142.246 1.276 10 0 ADAERN CC(C)(C)[C@@H]1OC(=O)[C@]1(C)F 238158839 573841507 /nfs/dbraw/zinc/84/15/07/573841507.db2.gz IQWQVZJKLDZOMG-YLWLKBPMSA-N 0 0 160.188 1.686 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H](C(=O)[O-])[NH+](C)C)C1 84345004 573841524 /nfs/dbraw/zinc/84/15/24/573841524.db2.gz HSTHOZHUHULOMF-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN Nc1c2c(nn1C1CCC1)COCC2 257887495 573841525 /nfs/dbraw/zinc/84/15/25/573841525.db2.gz WMJUHDGEMIEFQX-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CCC[C@H]1C[C@@H](CO)CCO1 84348293 573841532 /nfs/dbraw/zinc/84/15/32/573841532.db2.gz DUHOFIFZSMPYNY-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@H]1CCC[C@]2(C1)NC(=O)N(C)C2=O 125234361 573841606 /nfs/dbraw/zinc/84/16/06/573841606.db2.gz ANZXYTCRILGVHW-OIBJUYFYSA-N 0 0 196.250 1.117 10 0 ADAERN CN(O)Cc1cc2c(s1)CCOC2 214986756 573841548 /nfs/dbraw/zinc/84/15/48/573841548.db2.gz MIIYATZMUAVOOJ-UHFFFAOYSA-N 0 0 199.275 1.642 10 0 ADAERN C[C@]1(c2ncc(CO)s2)CCCO1 87229497 573841607 /nfs/dbraw/zinc/84/16/07/573841607.db2.gz QMGFYXMTTCGXCZ-SECBINFHSA-N 0 0 199.275 1.661 10 0 ADAERN C[C@H](CO)c1cccc2c1COCO2 258150488 573842803 /nfs/dbraw/zinc/84/28/03/573842803.db2.gz TZEDKYWFMPTWKE-MRVPVSSYSA-N 0 0 194.230 1.649 10 0 ADAERN O=C(N[C@@H]1CCC[C@H]1F)c1ccno1 585297470 573842805 /nfs/dbraw/zinc/84/28/05/573842805.db2.gz DXWGZTDOXQNPSO-RNFRBKRXSA-N 0 0 198.197 1.295 10 0 ADAERN Cc1ccnc(C)c1C(=O)NC(C)C 238156686 573842560 /nfs/dbraw/zinc/84/25/60/573842560.db2.gz AUFAAJSXATVTQV-UHFFFAOYSA-N 0 0 192.262 1.837 10 0 ADAERN COc1cccc(CCO)c1Cl 258150558 573842576 /nfs/dbraw/zinc/84/25/76/573842576.db2.gz UALIMHDPDMLYII-UHFFFAOYSA-N 0 0 186.638 1.883 10 0 ADAERN CCC[C@H](C)[C@@H](O)c1ncnn1CC 308450610 573842583 /nfs/dbraw/zinc/84/25/83/573842583.db2.gz CCUPHZVQXDDMSQ-DTWKUNHWSA-N 0 0 197.282 1.768 10 0 ADAERN c1cnc(OCc2cccnc2)nc1 222274357 573842592 /nfs/dbraw/zinc/84/25/92/573842592.db2.gz ABNCUGPXIXZXCI-UHFFFAOYSA-N 0 0 187.202 1.451 10 0 ADAERN CCCn1c(C(=O)OC)cnc1CC 259207508 573842625 /nfs/dbraw/zinc/84/26/25/573842625.db2.gz ALKDEKNZDUNTCM-UHFFFAOYSA-N 0 0 196.250 1.642 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WMICZGRYTFWRRH-UHFFFAOYSA-N 0 0 194.259 1.734 10 0 ADAERN CC(=O)c1nccc(F)c1O 238159110 573842751 /nfs/dbraw/zinc/84/27/51/573842751.db2.gz CSDLPGVGXHWWKB-UHFFFAOYSA-N 0 0 155.128 1.129 10 0 ADAERN C[N@H+](Cc1ccncc1)[C@@H]1CC[C@@H]1O 585297631 573842778 /nfs/dbraw/zinc/84/27/78/573842778.db2.gz HUUXUXQQLLBBTK-MNOVXSKESA-N 0 0 192.262 1.037 10 0 ADAERN CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1O 585297287 573842793 /nfs/dbraw/zinc/84/27/93/573842793.db2.gz AHOFOQSSXJHOFP-GHMZBOCLSA-N 0 0 197.278 1.301 10 0 ADAERN CN(c1ncccn1)[C@@H]1CCC[C@@H]1F 585297247 573842815 /nfs/dbraw/zinc/84/28/15/573842815.db2.gz ZNIOBLBZGGZSPX-DTWKUNHWSA-N 0 0 195.241 1.803 10 0 ADAERN O=C([O-])[C@H]1C2CC(C2)C[N@@H+]1C1CCC1 257887466 573842834 /nfs/dbraw/zinc/84/28/34/573842834.db2.gz WLJHPAFAZASYHZ-SFVIPPHHSA-N 0 0 195.262 1.334 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@H]1CCC[C@H](C)C1 84344062 573842849 /nfs/dbraw/zinc/84/28/49/573842849.db2.gz QAOZVDCYQMVSRB-CIUDSAMLSA-N 0 0 185.267 1.485 10 0 ADAERN 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573843723 /nfs/dbraw/zinc/84/37/23/573843723.db2.gz YLCKPTHMKKOOIJ-ZJUUUORDSA-N 0 0 199.294 1.685 10 0 ADAERN CC(C)(C)[C@@H]1[C@@H](C(N)=O)C1(C)C 238159406 573843772 /nfs/dbraw/zinc/84/37/72/573843772.db2.gz YSJSVHTXRBHQRO-BQBZGAKWSA-N 0 0 169.268 1.790 10 0 ADAERN COC[C@H](C)C(=O)OC[C@@H]1C[C@H]1C 308450579 573843805 /nfs/dbraw/zinc/84/38/05/573843805.db2.gz DIYOHDUNZJDNQE-VGMNWLOBSA-N 0 0 186.251 1.468 10 0 ADAERN COC(C)(C)C[C@@H](C)CO 84348386 573843807 /nfs/dbraw/zinc/84/38/07/573843807.db2.gz UISQJNNBWSZQTJ-SSDOTTSWSA-N 0 0 146.230 1.430 10 0 ADAERN CN(Cc1ncon1)[C@@H]1CCC[C@H]1F 585296831 573843826 /nfs/dbraw/zinc/84/38/26/573843826.db2.gz MAYZMWMWUUKNLA-HTQZYQBOSA-N 0 0 199.229 1.392 10 0 ADAERN CN(c1ccccn1)[C@H]1CCC[C@H]1O 585297492 573843864 /nfs/dbraw/zinc/84/38/64/573843864.db2.gz FNDNBRSOMBUIJN-VHSXEESVSA-N 0 0 192.262 1.431 10 0 ADAERN Nc1ncccc1NN1CCCCC1 122890982 573843881 /nfs/dbraw/zinc/84/38/81/573843881.db2.gz GPJHLDGNJVGYOV-UHFFFAOYSA-N 0 0 192.266 1.477 10 0 ADAERN Oc1cc(C2(O)CC2)cc2c1OCO2 258150617 573843882 /nfs/dbraw/zinc/84/38/82/573843882.db2.gz UBOYVHUQXDWCJW-UHFFFAOYSA-N 0 0 194.186 1.102 10 0 ADAERN CC[C@]1(C)C[C@@H](CO)CCO1 84348647 573843891 /nfs/dbraw/zinc/84/38/91/573843891.db2.gz LHHVAVNYUARDHH-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1oncc1NC(=S)NC(C)C 238159222 573843905 /nfs/dbraw/zinc/84/39/05/573843905.db2.gz URLHMLUQILQMOX-UHFFFAOYSA-N 0 0 199.279 1.678 10 0 ADAERN C/C(=C\C[NH2+][C@H](C)C1CCC1)C(=O)[O-] 308452756 573845578 /nfs/dbraw/zinc/84/55/78/573845578.db2.gz UGFDVPMVECDWPU-BNICOGTQSA-N 0 0 197.278 1.796 10 0 ADAERN CO[C@@](C)(CCO)C1CCC1 258516942 573845533 /nfs/dbraw/zinc/84/55/33/573845533.db2.gz LWLAMJGXBNRLMO-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)c1cnc([C@H]2COCCN2)o1 257888562 573845537 /nfs/dbraw/zinc/84/55/37/573845537.db2.gz WQCPNUUFDKQQDG-MRVPVSSYSA-N 0 0 196.250 1.459 10 0 ADAERN CC(C)[C@@H]1C[C@H](C(C)C)C(=O)N1 238161251 573845656 /nfs/dbraw/zinc/84/56/56/573845656.db2.gz GRKPDKLDAJHDRO-BDAKNGLRSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)C[C@@H]1NC(=O)O[C@H]1C 238160520 573844710 /nfs/dbraw/zinc/84/47/10/573844710.db2.gz YVWOMDRJZXBFKR-BQBZGAKWSA-N 0 0 157.213 1.529 10 0 ADAERN CC(=O)c1ncccc1OC(F)F 238160339 573844716 /nfs/dbraw/zinc/84/47/16/573844716.db2.gz AQZAREZNKQFIBC-UHFFFAOYSA-N 0 0 187.145 1.886 10 0 ADAERN C[C@@H](N)c1ncc([C@]2(C)CCCO2)o1 87231505 573844719 /nfs/dbraw/zinc/84/47/19/573844719.db2.gz NMFJVMLVTXYFEH-XCBNKYQSSA-N 0 0 196.250 1.720 10 0 ADAERN CC(=O)c1nccc2c(N)noc12 238159393 573844753 /nfs/dbraw/zinc/84/47/53/573844753.db2.gz BVDYXRVCBZEBHM-UHFFFAOYSA-N 0 0 177.163 1.008 10 0 ADAERN CCC[C@H](F)CON 259209432 573844757 /nfs/dbraw/zinc/84/47/57/573844757.db2.gz JLVBQXQVUUHDTI-YFKPBYRVSA-N 0 0 121.155 1.015 10 0 ADAERN Nc1ccc2occ(CO)c2c1 258159332 573844761 /nfs/dbraw/zinc/84/47/61/573844761.db2.gz XJIPWFARTSUAMW-UHFFFAOYSA-N 0 0 163.176 1.507 10 0 ADAERN C[C@]12O[C@H]1CCCCC2=O 238536980 573844762 /nfs/dbraw/zinc/84/47/62/573844762.db2.gz BRXXMCQEDPPHNB-JGVFFNPUSA-N 0 0 140.182 1.287 10 0 ADAERN O=C1Cc2c(cccc2OC(F)F)N1 238535857 573844778 /nfs/dbraw/zinc/84/47/78/573844778.db2.gz ATAQWHVOYWEJKQ-UHFFFAOYSA-N 0 0 199.156 1.783 10 0 ADAERN CCC[C@H](OCC)c1ncc(N)cn1 131343290 573844782 /nfs/dbraw/zinc/84/47/82/573844782.db2.gz GEWRWIWHGVYDDW-VIFPVBQESA-N 0 0 195.266 1.937 10 0 ADAERN COC[C@H](C)c1nc(C)cc(F)n1 690214936 573844794 /nfs/dbraw/zinc/84/47/94/573844794.db2.gz XXZREWDCSQEHOP-LURJTMIESA-N 0 0 184.214 1.674 10 0 ADAERN O=C(S)N1CCC(F)(F)CC1 259574413 573844805 /nfs/dbraw/zinc/84/48/05/573844805.db2.gz TVVJAPWYTCDGTL-UHFFFAOYSA-N 0 0 181.207 1.767 10 0 ADAERN Cc1c(Cl)ccc(O)c1CON 258160646 573845681 /nfs/dbraw/zinc/84/56/81/573845681.db2.gz VAGTZRKUNLEFSI-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN Cc1ccc(-c2nc(=O)[nH]o2)o1 258158720 573844829 /nfs/dbraw/zinc/84/48/29/573844829.db2.gz WPSFBTQRXLDVGL-UHFFFAOYSA-N 0 0 166.136 1.344 10 0 ADAERN CSCCN(C)c1cccnc1N 122897613 573844843 /nfs/dbraw/zinc/84/48/43/573844843.db2.gz KDYFMFMFABUGAD-UHFFFAOYSA-N 0 0 197.307 1.463 10 0 ADAERN CC(C)CCNc1nc(O)cs1 238159237 573844878 /nfs/dbraw/zinc/84/48/78/573844878.db2.gz RWPHHBJHPLHZCB-UHFFFAOYSA-N 0 0 186.280 1.252 10 0 ADAERN Cc1c(C(F)F)c[nH]c(=O)c1O 238536021 573845688 /nfs/dbraw/zinc/84/56/88/573845688.db2.gz SXPWDFVCWWBDRY-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN Cc1cc(O)cc([C@H](C)CO)c1F 258160719 573844902 /nfs/dbraw/zinc/84/49/02/573844902.db2.gz VCLGOHGQCRPHPY-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN CC(=O)c1nccc2ccncc12 238159518 573844903 /nfs/dbraw/zinc/84/49/03/573844903.db2.gz MJSSARLWQIDVLE-UHFFFAOYSA-N 0 0 172.187 1.832 10 0 ADAERN Nc1n[nH]cc1-c1cccc2[nH]cnc12 258160241 573844908 /nfs/dbraw/zinc/84/49/08/573844908.db2.gz PHVZGSUSERWLLA-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN CCc1cc(O)cc([C@@H]([NH3+])C(=O)[O-])c1 258158067 573844922 /nfs/dbraw/zinc/84/49/22/573844922.db2.gz UUZPNVHAJLTYBN-SECBINFHSA-N 0 0 195.218 1.039 10 0 ADAERN COCc1ccc(CO)cc1OC 258160630 573844931 /nfs/dbraw/zinc/84/49/31/573844931.db2.gz UZYACYHAIBFEBA-UHFFFAOYSA-N 0 0 182.219 1.334 10 0 ADAERN O=C1CC2(CCCC2)C2(CC2)N1 258517014 573844934 /nfs/dbraw/zinc/84/49/34/573844934.db2.gz LXEWBVHJTHPCNZ-UHFFFAOYSA-N 0 0 165.236 1.599 10 0 ADAERN CC(C)(CO)c1cc(CO)ccc1F 258160367 573844936 /nfs/dbraw/zinc/84/49/36/573844936.db2.gz PJMZZABRJITXIW-UHFFFAOYSA-N 0 0 198.237 1.588 10 0 ADAERN CC1(C)CCN(c2ncncc2N)C1 87232470 573844946 /nfs/dbraw/zinc/84/49/46/573844946.db2.gz YOROWKQNBJPHJO-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CC(=O)c1c(F)c(O)cc(O)c1F 258160663 573844947 /nfs/dbraw/zinc/84/49/47/573844947.db2.gz VAPRIYQYRRZGHS-UHFFFAOYSA-N 0 0 188.129 1.579 10 0 ADAERN CC(=O)c1ncn2c(CO)csc12 238160723 573844957 /nfs/dbraw/zinc/84/49/57/573844957.db2.gz KILULXHYIMJHFF-UHFFFAOYSA-N 0 0 196.231 1.091 10 0 ADAERN CC(C)OCCOc1cc(N)ccn1 43569482 573844974 /nfs/dbraw/zinc/84/49/74/573844974.db2.gz LHLGBPXESDSUOV-UHFFFAOYSA-N 0 0 196.250 1.468 10 0 ADAERN Cc1c(C(F)F)[nH]cc(O)c1=O 238535993 573845002 /nfs/dbraw/zinc/84/50/02/573845002.db2.gz JFGQCWVNSGCSCJ-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN C[C@H]1COc2cc(O)ccc2NC1=O 259209238 573845017 /nfs/dbraw/zinc/84/50/17/573845017.db2.gz LEQZQFLUCMFOAX-LURJTMIESA-N 0 0 193.202 1.359 10 0 ADAERN CC(C)C[C@@H]1[NH2+]CCCC[C@@H]1C(=O)[O-] 238161292 573845033 /nfs/dbraw/zinc/84/50/33/573845033.db2.gz PYXMGEFPEIPUGQ-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](O)C[C@H]1COc2ccccc21 258160687 573845037 /nfs/dbraw/zinc/84/50/37/573845037.db2.gz LSJALDWFPMMVTB-IUCAKERBSA-N 0 0 178.231 1.934 10 0 ADAERN CC(=O)[C@@H]1C(C)=C(C)C[C@]1(C)O 238159764 573845042 /nfs/dbraw/zinc/84/50/42/573845042.db2.gz XHUGCLVEEJXLBO-UWVGGRQHSA-N 0 0 168.236 1.683 10 0 ADAERN OC1(Cc2ccc3c(c2)COC3)CC1 258160668 573845047 /nfs/dbraw/zinc/84/50/47/573845047.db2.gz VAWBJPWWKXMPCV-UHFFFAOYSA-N 0 0 190.242 1.784 10 0 ADAERN CC(C)NC(=S)c1ccncc1 238160135 573845056 /nfs/dbraw/zinc/84/50/56/573845056.db2.gz BAMWJYSFTJRWKP-UHFFFAOYSA-N 0 0 180.276 1.755 10 0 ADAERN CC(C)c1cnc(NCCCO)nc1 259210118 573845057 /nfs/dbraw/zinc/84/50/57/573845057.db2.gz IRMNSHSKPRQOHK-UHFFFAOYSA-N 0 0 195.266 1.394 10 0 ADAERN CC(=O)c1nccc2cnccc12 238159626 573845061 /nfs/dbraw/zinc/84/50/61/573845061.db2.gz QMQKYLMFJUAORF-UHFFFAOYSA-N 0 0 172.187 1.832 10 0 ADAERN C[C@H](O)CCc1ccc(C(N)=O)cc1 84350626 573845068 /nfs/dbraw/zinc/84/50/68/573845068.db2.gz YNOCAANDASEDLT-QMMMGPOBSA-N 0 0 193.246 1.099 10 0 ADAERN CC(=O)CC[C@@H]1CCCOC1 84349377 573845103 /nfs/dbraw/zinc/84/51/03/573845103.db2.gz XBIDXWPVYXUKCG-VIFPVBQESA-N 0 0 156.225 1.782 10 0 ADAERN CN(Cc1cocn1)[C@@H]1CCC[C@@H]1O 585298673 573845111 /nfs/dbraw/zinc/84/51/11/573845111.db2.gz YXKCLBGIDMIKIE-ZJUUUORDSA-N 0 0 196.250 1.020 10 0 ADAERN C/C(=C\C(=O)N(C)C1CC1)C1CC1 308452329 573845140 /nfs/dbraw/zinc/84/51/40/573845140.db2.gz DVDBQPHITXFKLH-BQYQJAHWSA-N 0 0 179.263 1.964 10 0 ADAERN Nc1ncccc1NCc1ccon1 122878718 573845153 /nfs/dbraw/zinc/84/51/53/573845153.db2.gz DLCFVJPGNRCCND-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN CC(F)(F)C[C@H]1CCOC[C@H]1O 259623266 573845174 /nfs/dbraw/zinc/84/51/74/573845174.db2.gz FOWZTVUIUOECRY-RNFRBKRXSA-N 0 0 180.194 1.429 10 0 ADAERN O=C1NCC[C@H]1c1cccc(F)c1 238537038 573845184 /nfs/dbraw/zinc/84/51/84/573845184.db2.gz SAPFCLBHAKPFMN-VIFPVBQESA-N 0 0 179.194 1.429 10 0 ADAERN Cc1csc(N[C@@H]2CC[C@H]2O)n1 585298258 573845220 /nfs/dbraw/zinc/84/52/20/573845220.db2.gz RWIPVYWAFLJEEJ-RNFRBKRXSA-N 0 0 184.264 1.387 10 0 ADAERN Cc1c(CO)[nH]c(C(F)F)cc1=O 238537058 573845233 /nfs/dbraw/zinc/84/52/33/573845233.db2.gz BRAFLBBKCRCMAB-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CN(c1ccc(F)cn1)[C@@H]1CC[C@H]1O 585298191 573845250 /nfs/dbraw/zinc/84/52/50/573845250.db2.gz RFTGEDUZUSQBQZ-RKDXNWHRSA-N 0 0 196.225 1.180 10 0 ADAERN C[C@@H]1COc2cc(O)ccc2NC1=O 259209246 573845272 /nfs/dbraw/zinc/84/52/72/573845272.db2.gz LEQZQFLUCMFOAX-ZCFIWIBFSA-N 0 0 193.202 1.359 10 0 ADAERN CC1(C)CCN(c2ncccc2N)C1 87232448 573845280 /nfs/dbraw/zinc/84/52/80/573845280.db2.gz MVYMDJAUEPROBE-UHFFFAOYSA-N 0 0 191.278 1.900 10 0 ADAERN COCc1ccc(CON)c(F)c1 258160691 573845292 /nfs/dbraw/zinc/84/52/92/573845292.db2.gz VBRJFBQLWHYLSX-UHFFFAOYSA-N 0 0 185.198 1.362 10 0 ADAERN CN(CC1(CO)CC1)c1cccnc1 258971298 573845303 /nfs/dbraw/zinc/84/53/03/573845303.db2.gz SWTMQXMCRYCFKX-UHFFFAOYSA-N 0 0 192.262 1.290 10 0 ADAERN OC/C=C/CNc1ccccc1O 259623284 573845304 /nfs/dbraw/zinc/84/53/04/573845304.db2.gz FOYPOSXPYCHHLL-ONEGZZNKSA-N 0 0 179.219 1.353 10 0 ADAERN C[C@H](O)[C@@H]1CSc2ccc(O)cc21 258159991 573845309 /nfs/dbraw/zinc/84/53/09/573845309.db2.gz RMWODSKVFQQVGW-RCOVLWMOSA-N 0 0 196.271 1.962 10 0 ADAERN CC(C)[C@H]1C[C@H](C(=O)[O-])C[C@H]([NH3+])C1 238159614 573845334 /nfs/dbraw/zinc/84/53/34/573845334.db2.gz YYECSMKXRSQDEO-XHNCKOQMSA-N 0 0 185.267 1.471 10 0 ADAERN CCSCc1cn(C)cn1 258160645 573845339 /nfs/dbraw/zinc/84/53/39/573845339.db2.gz LRXJAYXQPAYUKU-UHFFFAOYSA-N 0 0 156.254 1.673 10 0 ADAERN CN1C(=O)CC2(CCCCC2)NC1=O 125240583 573845342 /nfs/dbraw/zinc/84/53/42/573845342.db2.gz FSBFTQJTGDTKLJ-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN CC(F)(F)C[C@@H]1CCOC[C@H]1O 259623263 573845355 /nfs/dbraw/zinc/84/53/55/573845355.db2.gz FOWZTVUIUOECRY-NKWVEPMBSA-N 0 0 180.194 1.429 10 0 ADAERN Cc1cc2c(c(CCO)c1O)CCO2 258160758 573845713 /nfs/dbraw/zinc/84/57/13/573845713.db2.gz VDIAUWAUVUDCSF-UHFFFAOYSA-N 0 0 194.230 1.170 10 0 ADAERN CC(C)(O)c1ccc2oc(=O)[nH]c2c1 258160597 573845368 /nfs/dbraw/zinc/84/53/68/573845368.db2.gz UYZJJRUREDTICE-UHFFFAOYSA-N 0 0 193.202 1.349 10 0 ADAERN CC(C)[C@@]1(C)COC(=O)C1 258517004 573845372 /nfs/dbraw/zinc/84/53/72/573845372.db2.gz LXCJLCLRBCCTCQ-MRVPVSSYSA-N 0 0 142.198 1.596 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1nccs1 585298451 573845379 /nfs/dbraw/zinc/84/53/79/573845379.db2.gz VPVYMKXRFQPVCL-WDSKDSINSA-N 0 0 170.237 1.078 10 0 ADAERN CN(c1nccs1)[C@H]1CC[C@H]1O 585298306 573845394 /nfs/dbraw/zinc/84/53/94/573845394.db2.gz TYTURXPLSHWADK-NKWVEPMBSA-N 0 0 184.264 1.103 10 0 ADAERN CC1(C)Cc2ccc(CON)cc2O1 258158103 573845400 /nfs/dbraw/zinc/84/54/00/573845400.db2.gz UWZYHJGQRNVSHR-UHFFFAOYSA-N 0 0 193.246 1.790 10 0 ADAERN Cc1ccc([C@H]2CCC(=O)N2)c(N)c1 238535760 573845407 /nfs/dbraw/zinc/84/54/07/573845407.db2.gz XBAFXBYWRYYZSQ-SNVBAGLBSA-N 0 0 190.246 1.528 10 0 ADAERN C[C@]1(c2nc(C=O)co2)CCSC1 258159730 573845413 /nfs/dbraw/zinc/84/54/13/573845413.db2.gz SRPGMPZIYUWBJI-VIFPVBQESA-N 0 0 197.259 1.882 10 0 ADAERN CC(C)[C@@H]1C[C@@](C)(O)C(=S)N1 238160747 573845425 /nfs/dbraw/zinc/84/54/25/573845425.db2.gz XRGBRCPYJGJAJY-POYBYMJQSA-N 0 0 173.281 1.083 10 0 ADAERN CCCc1cn2c(n1)CC[C@@H](CO)C2 258158989 573845436 /nfs/dbraw/zinc/84/54/36/573845436.db2.gz DNSCHXUUNAVGCS-SECBINFHSA-N 0 0 194.278 1.390 10 0 ADAERN CCC(=O)N1CCC(C)(C)C(=O)C1 259209518 573845446 /nfs/dbraw/zinc/84/54/46/573845446.db2.gz QFDQJCNKJNUTHP-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CC(=O)c1nccn2c(C)ccc12 238160465 573845450 /nfs/dbraw/zinc/84/54/50/573845450.db2.gz MCIBUAJMFSRHAR-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN C[C@@]1(c2ocnc2CO)CCCO1 87231685 573845453 /nfs/dbraw/zinc/84/54/53/573845453.db2.gz IWARJTWMOYDIFK-VIFPVBQESA-N 0 0 183.207 1.193 10 0 ADAERN Cc1c(-c2ccc(N)cn2)cnn1C 122883919 573845460 /nfs/dbraw/zinc/84/54/60/573845460.db2.gz ZSDZAMTVHQQQRJ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)[C@@H](O)COc1cccc(O)c1 258160480 573845478 /nfs/dbraw/zinc/84/54/78/573845478.db2.gz NMTZMANHNYRMLG-NSHDSACASA-N 0 0 196.246 1.788 10 0 ADAERN C[C@H](O)CC[C@H]1CCCOC1 84350755 573845484 /nfs/dbraw/zinc/84/54/84/573845484.db2.gz BNOQAXQXOHCGGI-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@H](O)Cc1ccc(C(C)(C)O)cc1 258160748 573845489 /nfs/dbraw/zinc/84/54/89/573845489.db2.gz VDFUWJRITCTSAE-SECBINFHSA-N 0 0 194.274 1.837 10 0 ADAERN Nc1cnc2cc(C=O)ccc2n1 257889323 573845491 /nfs/dbraw/zinc/84/54/91/573845491.db2.gz NCPYQNSCXXPGAE-UHFFFAOYSA-N 0 0 173.175 1.025 10 0 ADAERN CCC[C@@H](F)CON 259209428 573845540 /nfs/dbraw/zinc/84/55/40/573845540.db2.gz JLVBQXQVUUHDTI-RXMQYKEDSA-N 0 0 121.155 1.015 10 0 ADAERN CC(C)OC[C@@H](O)c1ccc(F)nc1 686129140 573845542 /nfs/dbraw/zinc/84/55/42/573845542.db2.gz OIWQZJQEGDZXBL-SECBINFHSA-N 0 0 199.225 1.679 10 0 ADAERN C=Cc1cc(CO)c(C)o1 238537291 573845558 /nfs/dbraw/zinc/84/55/58/573845558.db2.gz GQBSRHKPKGDQIG-UHFFFAOYSA-N 0 0 138.166 1.723 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)C[C@@H](C)OC 308452929 573845495 /nfs/dbraw/zinc/84/54/95/573845495.db2.gz FAZRZYPBXUYJNX-HLTSFMKQSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1oc(CO)nc1[C@@H]1CCCCO1 258159598 573845504 /nfs/dbraw/zinc/84/55/04/573845504.db2.gz SPUJWRRGXITGGV-QMMMGPOBSA-N 0 0 197.234 1.717 10 0 ADAERN Cc1nc([C@H](CC2CCC2)NN)co1 308452510 573845513 /nfs/dbraw/zinc/84/55/13/573845513.db2.gz CTMZSWHAYSFZDT-VIFPVBQESA-N 0 0 195.266 1.678 10 0 ADAERN C[C@@H]1Cc2cccc(CCON)c2O1 258160694 573845591 /nfs/dbraw/zinc/84/55/91/573845591.db2.gz VBSPBBIBSLKPFX-MRVPVSSYSA-N 0 0 193.246 1.443 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccncc1Cl 585298408 573845592 /nfs/dbraw/zinc/84/55/92/573845592.db2.gz VGBSRYVCFKFPIG-IUCAKERBSA-N 0 0 198.653 1.092 10 0 ADAERN CCN(OC)C(=O)C[C@H]1C=CCC1 308453225 573845603 /nfs/dbraw/zinc/84/56/03/573845603.db2.gz FEICMFQCYVOERD-VIFPVBQESA-N 0 0 183.251 1.753 10 0 ADAERN COc1cc(F)ccc1CC1(O)CC1 258160600 573845605 /nfs/dbraw/zinc/84/56/05/573845605.db2.gz UZCFAEASKFGLFG-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN CC(F)(F)C[C@H]1CCOC[C@@H]1O 259623270 573845606 /nfs/dbraw/zinc/84/56/06/573845606.db2.gz FOWZTVUIUOECRY-RQJHMYQMSA-N 0 0 180.194 1.429 10 0 ADAERN CC(C)Oc1ccccc(=O)c1 238159680 573845608 /nfs/dbraw/zinc/84/56/08/573845608.db2.gz JVSHVOAHLCXIEU-UHFFFAOYSA-N 0 0 164.204 1.834 10 0 ADAERN CN(c1ccccn1)[C@H]1CC[C@@H]1O 585298547 573845614 /nfs/dbraw/zinc/84/56/14/573845614.db2.gz XAHAZQFVZLPHOO-IUCAKERBSA-N 0 0 178.235 1.041 10 0 ADAERN COc1c(CO)c(C)nn1C(C)(C)C 257888272 573845619 /nfs/dbraw/zinc/84/56/19/573845619.db2.gz GGAHVTPJXZMUKU-UHFFFAOYSA-N 0 0 198.266 1.447 10 0 ADAERN CCCc1cn2c(n1)CC[C@H](CO)C2 258158992 573845722 /nfs/dbraw/zinc/84/57/22/573845722.db2.gz DNSCHXUUNAVGCS-VIFPVBQESA-N 0 0 194.278 1.390 10 0 ADAERN Clc1ccc2ccnn2c1 238536942 573845724 /nfs/dbraw/zinc/84/57/24/573845724.db2.gz FVQLCVVQFXTCFV-UHFFFAOYSA-N 0 0 152.584 1.988 10 0 ADAERN C[C@@]12C(=O)CCC[C@H]1CCC2=O 238537532 573848398 /nfs/dbraw/zinc/84/83/98/573848398.db2.gz CWDFLCZPJWWIIW-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN Nc1ccc2c(c1)C[C@@H]1[C@H]3C[C@H]3CN21 257888230 573847952 /nfs/dbraw/zinc/84/79/52/573847952.db2.gz NALWTJXQPPJGAX-PTOFAABTSA-N 0 0 186.258 1.650 10 0 ADAERN COCC(=O)Oc1cccc(C)c1 308452478 573848674 /nfs/dbraw/zinc/84/86/74/573848674.db2.gz DZPLWUISQPVKBN-UHFFFAOYSA-N 0 0 180.203 1.547 10 0 ADAERN CCC[C@H](O)CNc1nc(C)co1 308452358 573848769 /nfs/dbraw/zinc/84/87/69/573848769.db2.gz DWDISKVFYIQYEU-QMMMGPOBSA-N 0 0 184.239 1.556 10 0 ADAERN COc1cc(O)c(C[C@@H](C)O)cc1C 258160518 573848883 /nfs/dbraw/zinc/84/88/83/573848883.db2.gz UXHRJGNNRQKJQV-MRVPVSSYSA-N 0 0 196.246 1.633 10 0 ADAERN CC(C)[C@H](O)c1ccc(O)cc1N 257889331 573848603 /nfs/dbraw/zinc/84/86/03/573848603.db2.gz NDLKNIPFWSXGTA-JTQLQIEISA-N 0 0 181.235 1.664 10 0 ADAERN Cc1ccsc1NCO 258972310 573848604 /nfs/dbraw/zinc/84/86/04/573848604.db2.gz VGTAUZYHKIPYPC-UHFFFAOYSA-N 0 0 143.211 1.418 10 0 ADAERN CC[C@H](C1CC1)N(C)C(=O)OC 223588270 573848606 /nfs/dbraw/zinc/84/86/06/573848606.db2.gz MXGLBDQBOMBGIY-MRVPVSSYSA-N 0 0 171.240 1.873 10 0 ADAERN CCC[C@@H](O)CNc1nc(C)co1 308452356 573847942 /nfs/dbraw/zinc/84/79/42/573847942.db2.gz DWDISKVFYIQYEU-MRVPVSSYSA-N 0 0 184.239 1.556 10 0 ADAERN CC(C)[C@@H]1CC[C@](C)(O)[C@@H](NC#N)C1 238153337 573847944 /nfs/dbraw/zinc/84/79/44/573847944.db2.gz POHQQXNBMPXIBX-VWYCJHECSA-N 0 0 196.294 1.633 10 0 ADAERN C[C@H](O)Cc1ccc(OCCF)cc1 122910305 573848621 /nfs/dbraw/zinc/84/86/21/573848621.db2.gz KDKZJTXSYXWKGQ-VIFPVBQESA-N 0 0 198.237 1.958 10 0 ADAERN Cc1cccc(Cc2ncc(N)cn2)c1 43561029 573848629 /nfs/dbraw/zinc/84/86/29/573848629.db2.gz SIPGJUAVNKBUIJ-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN C/C=C/C(=O)OC[C@@](F)(CC)CO 393565520 573848640 /nfs/dbraw/zinc/84/86/40/573848640.db2.gz JTIXYBUFASABIB-HYYFJVDXSA-N 0 0 190.214 1.216 10 0 ADAERN CC(C)(C)[C@@H]1CCCC(=O)[C@H]1O 238152593 573848657 /nfs/dbraw/zinc/84/86/57/573848657.db2.gz NQFSJUWVMICSTF-APPZFPTMSA-N 0 0 170.252 1.763 10 0 ADAERN CC1(C)CCN(c2ccc(N)nc2)C1 87232428 573848661 /nfs/dbraw/zinc/84/86/61/573848661.db2.gz UPZNXRRPVXRZPM-UHFFFAOYSA-N 0 0 191.278 1.900 10 0 ADAERN COCC[N@H+](C(C)C)[C@H](C)C(C)=O 131359461 573848773 /nfs/dbraw/zinc/84/87/73/573848773.db2.gz QXNZWAHMKWUONZ-SECBINFHSA-N 0 0 187.283 1.321 10 0 ADAERN CN(CO)c1ccc2c(c1)CCC2 258972325 573847966 /nfs/dbraw/zinc/84/79/66/573847966.db2.gz VHQWBKURFASYDI-UHFFFAOYSA-N 0 0 177.247 1.561 10 0 ADAERN C[C@@]1(c2nnc(CN)s2)CCCO1 87231553 573847970 /nfs/dbraw/zinc/84/79/70/573847970.db2.gz XNQFQXWKUOEGPT-QMMMGPOBSA-N 0 0 199.279 1.022 10 0 ADAERN NN=c1[nH]c2c(Cl)cccc2o1 258159270 573847982 /nfs/dbraw/zinc/84/79/82/573847982.db2.gz LQQCFEZXXJWWSM-UHFFFAOYSA-N 0 0 183.598 1.767 10 0 ADAERN O[C@H]1CC[C@H]1Nc1nccs1 585298450 573848912 /nfs/dbraw/zinc/84/89/12/573848912.db2.gz VPVYMKXRFQPVCL-RITPCOANSA-N 0 0 170.237 1.078 10 0 ADAERN C/C(=C/C(=O)N(C)C1CC1)C1CC1 308452330 573847986 /nfs/dbraw/zinc/84/79/86/573847986.db2.gz DVDBQPHITXFKLH-FPLPWBNLSA-N 0 0 179.263 1.964 10 0 ADAERN Cn1nc(C(C)(C)C)c(N)c1C=O 238537533 573847995 /nfs/dbraw/zinc/84/79/95/573847995.db2.gz HMPCPLCSVXMKIP-UHFFFAOYSA-N 0 0 181.239 1.112 10 0 ADAERN CC(C)C[N@@H+]1CCC[C@H](C(=O)[O-])[C@@H]1C 238150610 573847996 /nfs/dbraw/zinc/84/79/96/573847996.db2.gz LADXNTLNKYSLDJ-UWVGGRQHSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1NCC(=O)N1CC1(C)CCCC1 125249329 573848029 /nfs/dbraw/zinc/84/80/29/573848029.db2.gz ZGHJMLARYDBTQU-VIFPVBQESA-N 0 0 196.294 1.345 10 0 ADAERN CC(C)([NH3+])c1ccc(C(=O)[O-])cc1F 238152100 573848039 /nfs/dbraw/zinc/84/80/39/573848039.db2.gz RIYQAGUREPOGTO-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN CCc1ccc(C)c([C@@H]([NH3+])C(=O)[O-])c1 258158080 573848045 /nfs/dbraw/zinc/84/80/45/573848045.db2.gz UVNIUVBRMBCRPA-SNVBAGLBSA-N 0 0 193.246 1.642 10 0 ADAERN C[C@@H]([NH3+])c1c(F)c([O-])cc(F)c1F 258160510 573848059 /nfs/dbraw/zinc/84/80/59/573848059.db2.gz UXEJLDMSKIKZPD-GSVOUGTGSA-N 0 0 191.152 1.829 10 0 ADAERN C/C=C(\N)C(=O)NCc1ccccc1 101161421 573848083 /nfs/dbraw/zinc/84/80/83/573848083.db2.gz AJTUGOJEUIXDJP-SGAXSIHGSA-N 0 0 190.246 1.165 10 0 ADAERN CC(=O)c1cnc(C)c(O)c1 238153329 573848092 /nfs/dbraw/zinc/84/80/92/573848092.db2.gz YNEJXNMGZSXIBP-UHFFFAOYSA-N 0 0 151.165 1.298 10 0 ADAERN COc1cc(O)c(C[C@H](C)O)cc1C 258160523 573848095 /nfs/dbraw/zinc/84/80/95/573848095.db2.gz UXHRJGNNRQKJQV-QMMMGPOBSA-N 0 0 196.246 1.633 10 0 ADAERN Cc1csc(N2CC(C)(O)C2)n1 84354788 573848131 /nfs/dbraw/zinc/84/81/31/573848131.db2.gz MUQIRDBEJQCHFI-UHFFFAOYSA-N 0 0 184.264 1.023 10 0 ADAERN Cc1nc(-c2cnccn2)c[nH]1 238537623 573848135 /nfs/dbraw/zinc/84/81/35/573848135.db2.gz DSWJZCMYQLIPAH-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN O=C1N[C@@H](C(F)F)c2ccccc21 238537635 573848143 /nfs/dbraw/zinc/84/81/43/573848143.db2.gz SBRNCLQEVITFRV-SSDOTTSWSA-N 0 0 183.157 1.736 10 0 ADAERN C[C@@H](O)CC[C@@H]1CCCOC1 84350751 573848148 /nfs/dbraw/zinc/84/81/48/573848148.db2.gz BNOQAXQXOHCGGI-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN OCCC1OCc2ccccc2CO1 258159129 573848149 /nfs/dbraw/zinc/84/81/49/573848149.db2.gz LPADLGWIQFAWLV-UHFFFAOYSA-N 0 0 194.230 1.442 10 0 ADAERN CC(C)[C@H]1C=C[C@@H](CNC(N)=O)CC1 238151632 573848166 /nfs/dbraw/zinc/84/81/66/573848166.db2.gz SMUPSEDGDIXREX-ZJUUUORDSA-N 0 0 196.294 1.893 10 0 ADAERN C[C@H](O)C[C@@H]1COc2ccccc21 258160684 573848196 /nfs/dbraw/zinc/84/81/96/573848196.db2.gz LSJALDWFPMMVTB-DTWKUNHWSA-N 0 0 178.231 1.934 10 0 ADAERN COC(=O)[C@]1(c2cc[nH]c2)CC1(C)C 258970171 573848197 /nfs/dbraw/zinc/84/81/97/573848197.db2.gz IACUUWZGUOUJJG-LLVKDONJSA-N 0 0 193.246 1.855 10 0 ADAERN Cc1nc(-c2cncn2C)sc1N 238537674 573848201 /nfs/dbraw/zinc/84/82/01/573848201.db2.gz NMRWOENUTSYTGZ-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN COC(C)(C)CO[C@H]1CCC(=O)C1 393593672 573848205 /nfs/dbraw/zinc/84/82/05/573848205.db2.gz UMBYZOCCSNCLBL-VIFPVBQESA-N 0 0 186.251 1.550 10 0 ADAERN Cc1cc(-c2noc(C)c2CO)on1 238537440 573848208 /nfs/dbraw/zinc/84/82/08/573848208.db2.gz LPTYTICDPUYZOC-UHFFFAOYSA-N 0 0 194.190 1.439 10 0 ADAERN C[C@H](CO)c1c(F)ccc(O)c1F 258158049 573848554 /nfs/dbraw/zinc/84/85/54/573848554.db2.gz UUVGIEWCICFJOF-RXMQYKEDSA-N 0 0 188.173 1.766 10 0 ADAERN Cc1cccc(OC(=O)NCO)c1 238537750 573848220 /nfs/dbraw/zinc/84/82/20/573848220.db2.gz YJRUGBXXYZCJGV-UHFFFAOYSA-N 0 0 181.191 1.033 10 0 ADAERN CN(c1nccs1)[C@H]1CC[C@@H]1O 585298305 573848232 /nfs/dbraw/zinc/84/82/32/573848232.db2.gz TYTURXPLSHWADK-BQBZGAKWSA-N 0 0 184.264 1.103 10 0 ADAERN NC(=O)CC[C@@H]1CCc2ccccc21 238537782 573848236 /nfs/dbraw/zinc/84/82/36/573848236.db2.gz HGYMQZZKWKCCDS-JTQLQIEISA-N 0 0 189.258 1.982 10 0 ADAERN NC(=O)CC[C@H]1CC=CCC1 238537500 573848283 /nfs/dbraw/zinc/84/82/83/573848283.db2.gz IGDQLSJMCHZQSE-QMMMGPOBSA-N 0 0 153.225 1.608 10 0 ADAERN Cc1c(O)cc(C=O)c(C)c1O 238537442 573848295 /nfs/dbraw/zinc/84/82/95/573848295.db2.gz JXKBOQMNPZZKBG-UHFFFAOYSA-N 0 0 166.176 1.527 10 0 ADAERN CC[C@H]1C[C@@H](CO)CCO1 84348681 573848297 /nfs/dbraw/zinc/84/82/97/573848297.db2.gz BKCZLTJBOIASEU-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1cc(F)cn2nccc12 238537480 573848343 /nfs/dbraw/zinc/84/83/43/573848343.db2.gz IKVGLMMYAIPTFU-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN F[C@H]1COC[C@@H]1Nc1ccccn1 585298463 573848370 /nfs/dbraw/zinc/84/83/70/573848370.db2.gz VTBUSQILXQLNFH-YUMQZZPRSA-N 0 0 182.198 1.230 10 0 ADAERN O=c1nc2ccc(Cl)ccc-2[nH]1 238537621 573848373 /nfs/dbraw/zinc/84/83/73/573848373.db2.gz WGVSMAKJRFZYBU-UHFFFAOYSA-N 0 0 180.594 1.528 10 0 ADAERN CCC1(CC)CCN(C(N)=S)C1 87251927 573848575 /nfs/dbraw/zinc/84/85/75/573848575.db2.gz HXPMKHWLVGOBOQ-UHFFFAOYSA-N 0 0 186.324 1.742 10 0 ADAERN CN(c1ncccc1F)[C@H]1CC[C@@H]1O 585298596 573848577 /nfs/dbraw/zinc/84/85/77/573848577.db2.gz XUONZMDTMDFPHU-IUCAKERBSA-N 0 0 196.225 1.180 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccncc1Cl 585298406 573848405 /nfs/dbraw/zinc/84/84/05/573848405.db2.gz VGBSRYVCFKFPIG-BDAKNGLRSA-N 0 0 198.653 1.092 10 0 ADAERN CCc1cc(O)cc([C@H]([NH3+])C(=O)[O-])c1 258158068 573848445 /nfs/dbraw/zinc/84/84/45/573848445.db2.gz UUZPNVHAJLTYBN-VIFPVBQESA-N 0 0 195.218 1.039 10 0 ADAERN Cc1ncc(O)cc1OC(C)C 238152391 573848457 /nfs/dbraw/zinc/84/84/57/573848457.db2.gz LYJSXJTZSQLWRS-UHFFFAOYSA-N 0 0 167.208 1.883 10 0 ADAERN COc1cccc2c1[C@H](C(C)=O)CN2 258159787 573848460 /nfs/dbraw/zinc/84/84/60/573848460.db2.gz RKXIUPITGPCCLA-QMMMGPOBSA-N 0 0 191.230 1.793 10 0 ADAERN OCCCc1cccc(C2COC2)c1 258160683 573848470 /nfs/dbraw/zinc/84/84/70/573848470.db2.gz VBNNXUZPOMKUQC-UHFFFAOYSA-N 0 0 192.258 1.725 10 0 ADAERN O=C(NC1CC1)/C(Cl)=C\Cl 238537667 573848483 /nfs/dbraw/zinc/84/84/83/573848483.db2.gz DCSMCIAGTCYVDA-HWKANZROSA-N 0 0 180.034 1.584 10 0 ADAERN CC(=O)Cc1cc(F)c(O)cc1F 258150685 573848498 /nfs/dbraw/zinc/84/84/98/573848498.db2.gz UDBQFGIEUYIKDB-UHFFFAOYSA-N 0 0 186.157 1.802 10 0 ADAERN C[C@H]1Cc2cccc(CCON)c2O1 258160697 573848520 /nfs/dbraw/zinc/84/85/20/573848520.db2.gz VBSPBBIBSLKPFX-QMMMGPOBSA-N 0 0 193.246 1.443 10 0 ADAERN O=c1ccn2c(C3CC3)c[nH]c2c1 257888154 573848529 /nfs/dbraw/zinc/84/85/29/573848529.db2.gz MYJBNYSEQTXOFA-UHFFFAOYSA-N 0 0 174.203 1.917 10 0 ADAERN COc1cccc2c1[C@@H](C(C)=O)CN2 258159786 573848687 /nfs/dbraw/zinc/84/86/87/573848687.db2.gz RKXIUPITGPCCLA-MRVPVSSYSA-N 0 0 191.230 1.793 10 0 ADAERN CN(c1ccc(F)cn1)[C@@H]1CC[C@@H]1O 585298188 573848691 /nfs/dbraw/zinc/84/86/91/573848691.db2.gz RFTGEDUZUSQBQZ-BDAKNGLRSA-N 0 0 196.225 1.180 10 0 ADAERN C[C@@H](CO)c1c(F)ccc(O)c1F 258158052 573848698 /nfs/dbraw/zinc/84/86/98/573848698.db2.gz UUVGIEWCICFJOF-YFKPBYRVSA-N 0 0 188.173 1.766 10 0 ADAERN CN(c1nccs1)[C@@H]1CC[C@@H]1O 585298308 573848705 /nfs/dbraw/zinc/84/87/05/573848705.db2.gz TYTURXPLSHWADK-RQJHMYQMSA-N 0 0 184.264 1.103 10 0 ADAERN C[C@H](O)Cc1ccc(F)c2c1OCO2 258158076 573848717 /nfs/dbraw/zinc/84/87/17/573848717.db2.gz UVKSRDFZEDRZTI-LURJTMIESA-N 0 0 198.193 1.478 10 0 ADAERN Cc1nc(N)c(N)cc1OC(C)C 238151628 573848729 /nfs/dbraw/zinc/84/87/29/573848729.db2.gz QZRLYVLJTPVIHC-UHFFFAOYSA-N 0 0 181.239 1.342 10 0 ADAERN C/C=C\C(=O)OC[C@@](F)(CC)CO 393565519 573848734 /nfs/dbraw/zinc/84/87/34/573848734.db2.gz JTIXYBUFASABIB-AZVKUDOFSA-N 0 0 190.214 1.216 10 0 ADAERN OCC[C@@H](F)C1CCCC1 258516966 573848745 /nfs/dbraw/zinc/84/87/45/573848745.db2.gz LWPCJROGPRNQCU-MRVPVSSYSA-N 0 0 146.205 1.897 10 0 ADAERN CN(c1ccc(F)cn1)[C@H]1CC[C@H]1O 585298189 573848756 /nfs/dbraw/zinc/84/87/56/573848756.db2.gz RFTGEDUZUSQBQZ-DTWKUNHWSA-N 0 0 196.225 1.180 10 0 ADAERN Clc1cccc(NC2COC2)n1 122912829 573848801 /nfs/dbraw/zinc/84/88/01/573848801.db2.gz UTFZHWKDELOEAV-UHFFFAOYSA-N 0 0 184.626 1.546 10 0 ADAERN CC(=O)c1cnc(C)c(C(C)=O)c1 238153229 573848844 /nfs/dbraw/zinc/84/88/44/573848844.db2.gz XCFICJVDESJMSF-UHFFFAOYSA-N 0 0 177.203 1.795 10 0 ADAERN CC(C)C[C@H]1NC(=O)N[C@@H]1C 238153150 573848856 /nfs/dbraw/zinc/84/88/56/573848856.db2.gz AQVODMGPVMCICS-RNFRBKRXSA-N 0 0 156.229 1.102 10 0 ADAERN Cn1c(CON)cc2ccc(O)cc21 258160679 573848864 /nfs/dbraw/zinc/84/88/64/573848864.db2.gz LSHYTHWNWUCHNK-UHFFFAOYSA-N 0 0 192.218 1.274 10 0 ADAERN CC1(O)CN(c2ccc(Cl)cn2)C1 84355129 573848880 /nfs/dbraw/zinc/84/88/80/573848880.db2.gz YCLRZJKKZSONLE-UHFFFAOYSA-N 0 0 198.653 1.306 10 0 ADAERN C[C@]1(c2nnc(CN)s2)CCCO1 87231552 573848882 /nfs/dbraw/zinc/84/88/82/573848882.db2.gz XNQFQXWKUOEGPT-MRVPVSSYSA-N 0 0 199.279 1.022 10 0 ADAERN CC(=O)[C@@H]1CC[C@]1(C)F 238167250 573854473 /nfs/dbraw/zinc/85/44/73/573854473.db2.gz OAIGBFGSMYQFGT-BQBZGAKWSA-N 0 0 130.162 1.714 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccc(Cl)cn1 585298558 573849816 /nfs/dbraw/zinc/84/98/16/573849816.db2.gz XEVLIXRHIDAPLA-SFYZADRCSA-N 0 0 198.653 1.670 10 0 ADAERN CC(C)=CCN1CC(C)(O)C1 84357007 573854506 /nfs/dbraw/zinc/85/45/06/573854506.db2.gz TYAOPDKPNSXKNM-UHFFFAOYSA-N 0 0 155.241 1.019 10 0 ADAERN O=C1[C@H](F)[C@H]2C=CCC[C@@H]12 238531121 573850573 /nfs/dbraw/zinc/85/05/73/573850573.db2.gz JNDXMPSVWMTICW-RRKCRQDMSA-N 0 0 140.157 1.490 10 0 ADAERN CC1(C)CN(C(=O)C2CC2)CCC1=O 259209695 573849728 /nfs/dbraw/zinc/84/97/28/573849728.db2.gz QGSHGYRPZQMFQZ-UHFFFAOYSA-N 0 0 195.262 1.224 10 0 ADAERN Cc1ccccc1C[NH2+][C@H]1CC[C@H]1O 585298159 573849734 /nfs/dbraw/zinc/84/97/34/573849734.db2.gz QVYRYWPXMDYPNF-NWDGAFQWSA-N 0 0 191.274 1.608 10 0 ADAERN Cc1nc([C@H]2CNC(=O)O2)c(C)o1 238530933 573849736 /nfs/dbraw/zinc/84/97/36/573849736.db2.gz KTQMCXAOHGVXKK-ZCFIWIBFSA-N 0 0 182.179 1.072 10 0 ADAERN CNCc1ncc([C@]2(C)CCCO2)o1 87231513 573849740 /nfs/dbraw/zinc/84/97/40/573849740.db2.gz ALQTWQZFZCKNNN-JTQLQIEISA-N 0 0 196.250 1.420 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccc(Cl)cn1 585298559 573849751 /nfs/dbraw/zinc/84/97/51/573849751.db2.gz XEVLIXRHIDAPLA-YUMQZZPRSA-N 0 0 198.653 1.670 10 0 ADAERN CC(C)[C@@H](O)c1ccc(O)cc1N 257889332 573849752 /nfs/dbraw/zinc/84/97/52/573849752.db2.gz NDLKNIPFWSXGTA-SNVBAGLBSA-N 0 0 181.235 1.664 10 0 ADAERN CC(C)(C)[C@@H]1CC=CC(=O)N1 238150983 573849780 /nfs/dbraw/zinc/84/97/80/573849780.db2.gz CZLYPZFEASDEIK-ZETCQYMHSA-N 0 0 153.225 1.477 10 0 ADAERN O=C1O[C@H]2C=CC[C@@H]2/C1=C/Cl 238539801 573849787 /nfs/dbraw/zinc/84/97/87/573849787.db2.gz SHJNTUIHRPKBBM-PILOXKEJSA-N 0 0 170.595 1.611 10 0 ADAERN CCCNC(=O)N1CC[C@H]1C(C)C 308451824 573849805 /nfs/dbraw/zinc/84/98/05/573849805.db2.gz DRZHCJKPLFVVCD-VIFPVBQESA-N 0 0 184.283 1.836 10 0 ADAERN CC(C)[C@@H]1CC[C@](C)(O)[C@@H](CO)C1 238153204 573849808 /nfs/dbraw/zinc/84/98/08/573849808.db2.gz MLKUXPSMARXDMN-MXWKQRLJSA-N 0 0 186.295 1.802 10 0 ADAERN CC(C)C[C@H]1CO[C@H](C(C)C)C(=O)N1 238150629 573850581 /nfs/dbraw/zinc/85/05/81/573850581.db2.gz PLOQHXJVCAIBOP-VHSXEESVSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1ccccc1C[NH2+][C@H]1CC[C@@H]1O 585298160 573849822 /nfs/dbraw/zinc/84/98/22/573849822.db2.gz QVYRYWPXMDYPNF-RYUDHWBXSA-N 0 0 191.274 1.608 10 0 ADAERN OC1(Cc2cccc3c2COC3)CC1 258163139 573849825 /nfs/dbraw/zinc/84/98/25/573849825.db2.gz VGVKAJUPLSJKGK-UHFFFAOYSA-N 0 0 190.242 1.784 10 0 ADAERN C[N@H+](CCCC(=O)[O-])Cc1ccc[nH]1 258970090 573849842 /nfs/dbraw/zinc/84/98/42/573849842.db2.gz WYEJQXKYWOOKMG-UHFFFAOYSA-N 0 0 196.250 1.311 10 0 ADAERN Cc1nc2c(c(=O)[nH]1)CCCCCC2 238539196 573849846 /nfs/dbraw/zinc/84/98/46/573849846.db2.gz AUMXLVSONUKBOF-UHFFFAOYSA-N 0 0 192.262 1.737 10 0 ADAERN Cc1c(O)ccc2c1CCOC2=O 238540111 573850582 /nfs/dbraw/zinc/85/05/82/573850582.db2.gz ZRXMAULFMRAUBQ-UHFFFAOYSA-N 0 0 178.187 1.414 10 0 ADAERN CCCNC(=O)N1CC[C@@H]1C(C)C 308451819 573849854 /nfs/dbraw/zinc/84/98/54/573849854.db2.gz DRZHCJKPLFVVCD-SECBINFHSA-N 0 0 184.283 1.836 10 0 ADAERN COc1c(CCON)ccc(C)c1O 258163129 573849856 /nfs/dbraw/zinc/84/98/56/573849856.db2.gz VGMRTXUHZCXUKS-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN CC(C)C[C@H]1NC(=O)N[C@H]1C 238153197 573849860 /nfs/dbraw/zinc/84/98/60/573849860.db2.gz AQVODMGPVMCICS-NKWVEPMBSA-N 0 0 156.229 1.102 10 0 ADAERN O=C1O[C@H]2C=CC[C@H]2/C1=C/Cl 238539657 573849864 /nfs/dbraw/zinc/84/98/64/573849864.db2.gz SHJNTUIHRPKBBM-MBZKLQCLSA-N 0 0 170.595 1.611 10 0 ADAERN CNC(=O)Nc1ccccc1[C@@H](C)O 125261118 573850077 /nfs/dbraw/zinc/85/00/77/573850077.db2.gz BYWUKRQIPIEMMB-SSDOTTSWSA-N 0 0 194.234 1.491 10 0 ADAERN O=C1[C@H](F)[C@@H]2C=CCC[C@@H]12 238530919 573849891 /nfs/dbraw/zinc/84/98/91/573849891.db2.gz JNDXMPSVWMTICW-FSDSQADBSA-N 0 0 140.157 1.490 10 0 ADAERN CC(C)COCc1c[nH]cn1 238153225 573849892 /nfs/dbraw/zinc/84/98/92/573849892.db2.gz MNZIQBWBXAEEMT-UHFFFAOYSA-N 0 0 154.213 1.582 10 0 ADAERN CN(c1ccccn1)[C@H]1CC[C@H]1O 585298546 573849893 /nfs/dbraw/zinc/84/98/93/573849893.db2.gz XAHAZQFVZLPHOO-DTWKUNHWSA-N 0 0 178.235 1.041 10 0 ADAERN Nc1ccc2c(c1)C[C@@H]1[C@@H]3C[C@@H]3CN21 257888226 573849922 /nfs/dbraw/zinc/84/99/22/573849922.db2.gz NALWTJXQPPJGAX-HLUHBDAQSA-N 0 0 186.258 1.650 10 0 ADAERN COCCCC[C@H]1CC[C@@H](O)C1 131323491 573849939 /nfs/dbraw/zinc/84/99/39/573849939.db2.gz ATQJZNQFGKQOSY-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCC[C@H](C)[C@@H]1COC[C@@H]1O 687966521 573849945 /nfs/dbraw/zinc/84/99/45/573849945.db2.gz LIPIFLDPMRXZEZ-CIUDSAMLSA-N 0 0 158.241 1.430 10 0 ADAERN Fc1cccc(-c2ccncn2)n1 238541719 573849954 /nfs/dbraw/zinc/84/99/54/573849954.db2.gz GAQRLJQWRUCPNY-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Cc1ccc2c(c1CCCO)CCO2 258163088 573849956 /nfs/dbraw/zinc/84/99/56/573849956.db2.gz VFKOOVGIMTZJIV-UHFFFAOYSA-N 0 0 192.258 1.855 10 0 ADAERN Cc1nc2c(s1)C(=S)NCCC2 238539446 573849968 /nfs/dbraw/zinc/84/99/68/573849968.db2.gz HBTWQOUYVYPTJL-UHFFFAOYSA-N 0 0 198.316 1.663 10 0 ADAERN COc1nnc(-c2ccco2)cc1N 257888215 573849975 /nfs/dbraw/zinc/84/99/75/573849975.db2.gz GFHVDASXOHQRES-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN O=C1[C@@H](F)CC[C@H]1F 238540027 573850012 /nfs/dbraw/zinc/85/00/12/573850012.db2.gz SSRWKMJRZQERSQ-ZXZARUISSA-N 0 0 120.098 1.026 10 0 ADAERN Cn1c2ccc[nH]c-2c(C=O)c1=S 238539166 573850028 /nfs/dbraw/zinc/85/00/28/573850028.db2.gz LFCIYNWZFVRDTK-UHFFFAOYSA-N 0 0 192.243 1.675 10 0 ADAERN CC(C)[C@@H]1CC[C@H](CO)[C@@H](C)C1=O 238151689 573850037 /nfs/dbraw/zinc/85/00/37/573850037.db2.gz JXDSDEXWYLVGCG-BBBLOLIVSA-N 0 0 184.279 1.866 10 0 ADAERN C[C@@H]1CNc2c(CO)cccc2N1 258437130 573850038 /nfs/dbraw/zinc/85/00/38/573850038.db2.gz GFLAKGVWNUWZGK-SSDOTTSWSA-N 0 0 178.235 1.405 10 0 ADAERN CC1(O)CN(c2ncccc2Cl)C1 84355617 573850045 /nfs/dbraw/zinc/85/00/45/573850045.db2.gz HEKRIUQDCNEZRH-UHFFFAOYSA-N 0 0 198.653 1.306 10 0 ADAERN CCC1(O)CN(c2ncccc2C)C1 84358888 573850065 /nfs/dbraw/zinc/85/00/65/573850065.db2.gz HPKVYQIFXBZVGS-UHFFFAOYSA-N 0 0 192.262 1.351 10 0 ADAERN CN1CCC(=O)Nc2cccc(N)c21 258436952 573850073 /nfs/dbraw/zinc/85/00/73/573850073.db2.gz GBFFZMBHEWFNDU-UHFFFAOYSA-N 0 0 191.234 1.047 10 0 ADAERN COCc1ccc(CNO)c(F)c1 258163160 573850091 /nfs/dbraw/zinc/85/00/91/573850091.db2.gz VHWGJNBKXJFMQU-UHFFFAOYSA-N 0 0 185.198 1.451 10 0 ADAERN O=C1C[C@@H]2[C@@H](F)c3ccccc3[C@@H]2N1 238531143 573850126 /nfs/dbraw/zinc/85/01/26/573850126.db2.gz OBJZVXPOAPVNGM-MIMYLULJSA-N 0 0 191.205 1.888 10 0 ADAERN COc1nccc(-c2ccncc2)n1 258971356 573850141 /nfs/dbraw/zinc/85/01/41/573850141.db2.gz ALMSMEYSSJHREC-UHFFFAOYSA-N 0 0 187.202 1.547 10 0 ADAERN NN=c1[nH]c(-c2ccc[nH]2)cs1 259213053 573850163 /nfs/dbraw/zinc/85/01/63/573850163.db2.gz IXIJDRCXOISKOY-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN C[C@H]1CCCC[C@@H]1OCCC(N)=O 43639368 573850172 /nfs/dbraw/zinc/85/01/72/573850172.db2.gz QOOQRRALWLLXAB-IUCAKERBSA-N 0 0 185.267 1.457 10 0 ADAERN Cc1ccn2c(N)cnc2c1Cl 238539711 573850175 /nfs/dbraw/zinc/85/01/75/573850175.db2.gz RGFIKSQYHYCIDA-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN OCCc1cc(F)ccc1OC1CC1 258163150 573850182 /nfs/dbraw/zinc/85/01/82/573850182.db2.gz VHKCYQSPNRJDOC-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN Cc1nc([C@H]2CNC(=O)C2)ccc1F 238530910 573850195 /nfs/dbraw/zinc/85/01/95/573850195.db2.gz VXUVPYMQFBFHSN-SSDOTTSWSA-N 0 0 194.209 1.133 10 0 ADAERN F[C@H]1COC[C@H]1Nc1ccccn1 585298461 573850199 /nfs/dbraw/zinc/85/01/99/573850199.db2.gz VTBUSQILXQLNFH-JGVFFNPUSA-N 0 0 182.198 1.230 10 0 ADAERN CC[C@H](C)C[C@H](C)N1CNCC1=O 127403449 573850204 /nfs/dbraw/zinc/85/02/04/573850204.db2.gz QJWUDWJTWCKSRE-IUCAKERBSA-N 0 0 184.283 1.200 10 0 ADAERN CC(C)([NH3+])c1cc(F)ccc1C(=O)[O-] 238150312 573850590 /nfs/dbraw/zinc/85/05/90/573850590.db2.gz CZKHUQUJWJVWSE-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN NC(=O)CC[C@H]1C[C@H]2CC[C@@H]1C2 238539341 573850255 /nfs/dbraw/zinc/85/02/55/573850255.db2.gz MDWXSBVARRLDGE-YIZRAAEISA-N 0 0 167.252 1.688 10 0 ADAERN CC(C)NC(=O)NOc1ccccc1 238150110 573850269 /nfs/dbraw/zinc/85/02/69/573850269.db2.gz GODFDDZXIPFFSB-UHFFFAOYSA-N 0 0 194.234 1.688 10 0 ADAERN Cc1c(O)ccc(CC(N)=O)c1C 238541489 573850284 /nfs/dbraw/zinc/85/02/84/573850284.db2.gz DJHRGDBHZYEHLI-UHFFFAOYSA-N 0 0 179.219 1.037 10 0 ADAERN Cc1cnc(N)c(O)c1C(F)F 238530920 573850289 /nfs/dbraw/zinc/85/02/89/573850289.db2.gz ALTGYBMYZYEFEQ-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN COc1ccccc1OCC1COC1 258971808 573850290 /nfs/dbraw/zinc/85/02/90/573850290.db2.gz CXIHYTCXWYZEES-UHFFFAOYSA-N 0 0 194.230 1.720 10 0 ADAERN CC1(O)CN(CCC(F)(F)F)C1 84357497 573850552 /nfs/dbraw/zinc/85/05/52/573850552.db2.gz AUQCJPKANXICQE-UHFFFAOYSA-N 0 0 183.173 1.005 10 0 ADAERN CC(=O)c1cn(C)c2c(N)cccc12 238152303 573850317 /nfs/dbraw/zinc/85/03/17/573850317.db2.gz BDGHMGFYTGHDDB-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN CCC[C@H](C)[C@@H]1COC[C@H]1O 687966526 573850319 /nfs/dbraw/zinc/85/03/19/573850319.db2.gz LIPIFLDPMRXZEZ-XHNCKOQMSA-N 0 0 158.241 1.430 10 0 ADAERN F[C@@H]1COC[C@H]1Nc1nccs1 585298204 573850325 /nfs/dbraw/zinc/85/03/25/573850325.db2.gz RIWPKBXVMDLGCC-PHDIDXHHSA-N 0 0 188.227 1.292 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)CC[C@@H]1O 238150530 573850595 /nfs/dbraw/zinc/85/05/95/573850595.db2.gz VPHQHPQTZNLQDK-BDAKNGLRSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)[C@@H](CO)c1ccccn1 238153222 573850559 /nfs/dbraw/zinc/85/05/59/573850559.db2.gz COHUVNQXQDKTGA-SECBINFHSA-N 0 0 165.236 1.814 10 0 ADAERN Nc1c(C(=O)[O-])ccc2cc[nH+]cc12 87256984 573850352 /nfs/dbraw/zinc/85/03/52/573850352.db2.gz OERPHLWVWFTOLG-UHFFFAOYSA-N 0 0 188.186 1.515 10 0 ADAERN CC(C)COC(C)(C)CO 79515369 573850384 /nfs/dbraw/zinc/85/03/84/573850384.db2.gz ZMOBCRWYALFDEJ-UHFFFAOYSA-N 0 0 146.230 1.430 10 0 ADAERN CC(C)=CCCc1ccnc(N)n1 238151168 573850408 /nfs/dbraw/zinc/85/04/08/573850408.db2.gz VBCJFWRDVCIHMN-UHFFFAOYSA-N 0 0 177.251 1.958 10 0 ADAERN Cc1cc(C)c(CO)c(C)c1N 238539850 573850411 /nfs/dbraw/zinc/85/04/11/573850411.db2.gz NUVOSGGLRQVIML-UHFFFAOYSA-N 0 0 165.236 1.686 10 0 ADAERN CC(C)([NH3+])c1ccc(C(=O)[O-])c(F)c1 238152029 573850412 /nfs/dbraw/zinc/85/04/12/573850412.db2.gz VAVSQYJLVINYHI-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN CC(C)C[C@H]1CNOC1 238150103 573850428 /nfs/dbraw/zinc/85/04/28/573850428.db2.gz YTDFVWAKLJJMPY-ZETCQYMHSA-N 0 0 129.203 1.184 10 0 ADAERN CC(C)C[C@H]1CO[C@@H](C(C)C)C(=O)N1 238150571 573850478 /nfs/dbraw/zinc/85/04/78/573850478.db2.gz PLOQHXJVCAIBOP-UWVGGRQHSA-N 0 0 199.294 1.572 10 0 ADAERN CC(C)[C@@H]1CC[C@H](C[C@H](C)O)O1 238151757 573850485 /nfs/dbraw/zinc/85/04/85/573850485.db2.gz WMZPAHRVNKZBHT-AEJSXWLSSA-N 0 0 172.268 1.961 10 0 ADAERN Cc1noc2c1[C@H](O)CCC2 238530739 573850489 /nfs/dbraw/zinc/85/04/89/573850489.db2.gz WQHDTZNKFOUDOW-ZCFIWIBFSA-N 0 0 153.181 1.353 10 0 ADAERN CC[C@H]1CCCC[C@@H]1OCCC(N)=O 43639360 573850544 /nfs/dbraw/zinc/85/05/44/573850544.db2.gz ANIZMYAXIKEXKG-UWVGGRQHSA-N 0 0 199.294 1.847 10 0 ADAERN CC(C)(C)[C@@H]1CCCC(=O)[C@@H]1O 238152569 573850498 /nfs/dbraw/zinc/85/04/98/573850498.db2.gz NQFSJUWVMICSTF-VXNVDRBHSA-N 0 0 170.252 1.763 10 0 ADAERN CCCc1cc(C=O)nn1CC 258436974 573850504 /nfs/dbraw/zinc/85/05/04/573850504.db2.gz DPDVQURWJZFMFT-UHFFFAOYSA-N 0 0 166.224 1.668 10 0 ADAERN C=C[S@@](=O)/C=C/Cl 238539104 573850509 /nfs/dbraw/zinc/85/05/09/573850509.db2.gz JGXDSGOSAIGWEN-KGGZQZJCSA-N 0 0 136.603 1.589 10 0 ADAERN Cc1ncc(N)cc1OC(C)C 238151759 573850529 /nfs/dbraw/zinc/85/05/29/573850529.db2.gz NDHRPZSTVDXYAV-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN N=C(Cl)CNC(=O)c1ccccc1 238541459 573850535 /nfs/dbraw/zinc/85/05/35/573850535.db2.gz URVFRISBYHVJSD-UHFFFAOYSA-N 0 0 196.637 1.632 10 0 ADAERN OCc1ccccc1N[C@H]1CC[C@H]1O 585298899 573851380 /nfs/dbraw/zinc/85/13/80/573851380.db2.gz QMJZNMZOOAGBTD-WDEREUQCSA-N 0 0 193.246 1.114 10 0 ADAERN CC[C@H](C)[S@](=O)[C@@H](C)C(=O)OC 43637402 573851544 /nfs/dbraw/zinc/85/15/44/573851544.db2.gz MVXXIHWYOICBSQ-DJOAAKCGSA-N 0 0 192.280 1.095 10 0 ADAERN C[C@]1(CNc2ncns2)CCCO1 87256216 573852513 /nfs/dbraw/zinc/85/25/13/573852513.db2.gz JFDWPZDWHMTYLU-MRVPVSSYSA-N 0 0 199.279 1.519 10 0 ADAERN Oc1ccccc1N[C@H]1CC[C@@H]1O 585298911 573851388 /nfs/dbraw/zinc/85/13/88/573851388.db2.gz RHYLOLTZUBYJKJ-WPRPVWTQSA-N 0 0 179.219 1.327 10 0 ADAERN Cc1c(N=O)sc(N)c1C(N)=O 238530794 573851393 /nfs/dbraw/zinc/85/13/93/573851393.db2.gz MUMCEXBGQUPPDR-UHFFFAOYSA-N 0 0 185.208 1.136 10 0 ADAERN c1cncc(Oc2ncc[nH]2)c1 257887662 573851398 /nfs/dbraw/zinc/85/13/98/573851398.db2.gz LNBDQNWQLNPLMM-UHFFFAOYSA-N 0 0 161.164 1.597 10 0 ADAERN CCc1nn(C)c2c1NCCCN2 87260489 573852537 /nfs/dbraw/zinc/85/25/37/573852537.db2.gz WGJHDUGIVHQIOT-UHFFFAOYSA-N 0 0 180.255 1.210 10 0 ADAERN C[C@H]1CN(c2ccccc2N)C(=O)N1 257888628 573851409 /nfs/dbraw/zinc/85/14/09/573851409.db2.gz WROJMJFTTWDEBE-ZETCQYMHSA-N 0 0 191.234 1.187 10 0 ADAERN CC(C)C(=O)C[N@@H+]1CCC(C)(C)C1 87256886 573851416 /nfs/dbraw/zinc/85/14/16/573851416.db2.gz JIBOVSSAMIZXPH-UHFFFAOYSA-N 0 0 183.295 1.943 10 0 ADAERN CN1C[C@H](CCO)c2cc(O)ccc21 258162108 573851434 /nfs/dbraw/zinc/85/14/34/573851434.db2.gz RQMVMFIUNBHANJ-QMMMGPOBSA-N 0 0 193.246 1.308 10 0 ADAERN CC(C)NC(=O)Oc1ccccc1O 238151573 573851438 /nfs/dbraw/zinc/85/14/38/573851438.db2.gz SADTYJDYUZWKSH-UHFFFAOYSA-N 0 0 195.218 1.889 10 0 ADAERN CC(C)C[C@@H](O)[C@@H]1COC(C)(C)O1 238152272 573851509 /nfs/dbraw/zinc/85/15/09/573851509.db2.gz BJIBUHISHNJRCG-BDAKNGLRSA-N 0 0 188.267 1.545 10 0 ADAERN CC1(C)CC[N@@H+]([C@H]2CCCC2=O)C1 87256902 573851521 /nfs/dbraw/zinc/85/15/21/573851521.db2.gz UVIRBHOVINNNOH-VIFPVBQESA-N 0 0 181.279 1.840 10 0 ADAERN CC(C)C[C@@H](O)C[C@@]1(C)CO1 238151334 573851536 /nfs/dbraw/zinc/85/15/36/573851536.db2.gz GZOHCBGBGLMKTL-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN O=C1O[C@@H]2C=CC[C@@H]2/C1=C/Cl 238539817 573851584 /nfs/dbraw/zinc/85/15/84/573851584.db2.gz SHJNTUIHRPKBBM-NRMOTYEGSA-N 0 0 170.595 1.611 10 0 ADAERN CC[C@H]1CCCC[C@H]1OCCC(N)=O 43639362 573851602 /nfs/dbraw/zinc/85/16/02/573851602.db2.gz ANIZMYAXIKEXKG-VHSXEESVSA-N 0 0 199.294 1.847 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](/C=C\C(=O)[O-])C1 258153988 573851603 /nfs/dbraw/zinc/85/16/03/573851603.db2.gz KMDFQILBPQRECK-ZBJFTSOASA-N 0 0 183.251 1.358 10 0 ADAERN Cc1cc2c(nn1)CCCC2=O 238540080 573851613 /nfs/dbraw/zinc/85/16/13/573851613.db2.gz UGQDTYYUAYHANW-UHFFFAOYSA-N 0 0 162.192 1.304 10 0 ADAERN CNOCC1CCSCC1 258437114 573851622 /nfs/dbraw/zinc/85/16/22/573851622.db2.gz DRMCWOSPBJGHDA-UHFFFAOYSA-N 0 0 161.270 1.281 10 0 ADAERN CCCc1nn(C)c2c1NCCN2C 87260579 573852543 /nfs/dbraw/zinc/85/25/43/573852543.db2.gz RMNWKLZWOYNXBN-UHFFFAOYSA-N 0 0 194.282 1.234 10 0 ADAERN CC[C@H](O)/C(C)=C/C(C)(C)O 101241526 573851641 /nfs/dbraw/zinc/85/16/41/573851641.db2.gz SOIMUGCEWXVOAG-CZEYKFRCSA-N 0 0 158.241 1.475 10 0 ADAERN CNC(=O)Nc1ccccc1[C@H](C)O 125260937 573851653 /nfs/dbraw/zinc/85/16/53/573851653.db2.gz BYWUKRQIPIEMMB-ZETCQYMHSA-N 0 0 194.234 1.491 10 0 ADAERN COc1ccc2c(c1)C[C@@](C)(O)CN2 257887612 573851656 /nfs/dbraw/zinc/85/16/56/573851656.db2.gz WPJNERPBFRJINQ-LLVKDONJSA-N 0 0 193.246 1.414 10 0 ADAERN Cc1c(O)ccc(C[C@@H](C)O)c1O 258163059 573852544 /nfs/dbraw/zinc/85/25/44/573852544.db2.gz VERLURMUYMSCPU-ZCFIWIBFSA-N 0 0 182.219 1.330 10 0 ADAERN CC[C@@H](C(=O)OC)N(C)C1CC1 259211981 573851668 /nfs/dbraw/zinc/85/16/68/573851668.db2.gz ZSQUYCLYYBOADW-QMMMGPOBSA-N 0 0 171.240 1.032 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccc(F)c(F)c1 585298867 573851673 /nfs/dbraw/zinc/85/16/73/573851673.db2.gz OWDHJQBBZLLBDE-ZJUUUORDSA-N 0 0 199.200 1.900 10 0 ADAERN CC(=O)[C@H](C)[N@@H+]1CCC(C)(C)C1 87256860 573851692 /nfs/dbraw/zinc/85/16/92/573851692.db2.gz JNBGPEMXUFDHEQ-QMMMGPOBSA-N 0 0 169.268 1.696 10 0 ADAERN CC(=O)c1ccnc(N)c1C 238151702 573851698 /nfs/dbraw/zinc/85/16/98/573851698.db2.gz INVBFTIGOWFMRD-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN COc1ccccc1N[C@H]1CC[C@@H]1O 585298855 573851704 /nfs/dbraw/zinc/85/17/04/573851704.db2.gz NGMNVFNQMICZJN-WPRPVWTQSA-N 0 0 193.246 1.630 10 0 ADAERN CCCC[S@](=O)[C@@H](C)C(=O)OC 43637466 573851707 /nfs/dbraw/zinc/85/17/07/573851707.db2.gz VRXADLVBJHPTBU-JVXZTZIISA-N 0 0 192.280 1.097 10 0 ADAERN COCc1cccc([C@H](C)O)c1OC 258163117 573851711 /nfs/dbraw/zinc/85/17/11/573851711.db2.gz VGFULKVJMWUAAX-QMMMGPOBSA-N 0 0 196.246 1.895 10 0 ADAERN CC[C@H](O)/C(C)=C\C(C)(C)O 101241525 573851713 /nfs/dbraw/zinc/85/17/13/573851713.db2.gz SOIMUGCEWXVOAG-UAPHAKCISA-N 0 0 158.241 1.475 10 0 ADAERN F[C@H]1CCC[C@H]1Nc1cnsn1 585297857 573851727 /nfs/dbraw/zinc/85/17/27/573851727.db2.gz LEMYRDRVHPUMJU-NTSWFWBYSA-N 0 0 187.243 1.841 10 0 ADAERN CC(C)c1nccn1[C@@H]1CC[C@@H]1O 585298880 573851745 /nfs/dbraw/zinc/85/17/45/573851745.db2.gz POQXSQGWLTXJEV-BDAKNGLRSA-N 0 0 180.251 1.702 10 0 ADAERN C[C@H](OCCC(N)=O)c1ccccc1 43639373 573851755 /nfs/dbraw/zinc/85/17/55/573851755.db2.gz JRKZCOMFWHIHGC-VIFPVBQESA-N 0 0 193.246 1.640 10 0 ADAERN CCCCCC[C@H](C)OCC(N)=O 43639416 573851764 /nfs/dbraw/zinc/85/17/64/573851764.db2.gz ATXQWMCLHLAKPY-VIFPVBQESA-N 0 0 187.283 1.847 10 0 ADAERN CC(C)(C)[C@H]([NH3+])[C@@H]1C[C@@H]1C(=O)[O-] 259213016 573851775 /nfs/dbraw/zinc/85/17/75/573851775.db2.gz GMRLRVLPAOKAPI-DSYKOEDSSA-N 0 0 171.240 1.081 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccc(F)cc1F 585298749 573851797 /nfs/dbraw/zinc/85/17/97/573851797.db2.gz CIIMCZVPTSKTPQ-ZJUUUORDSA-N 0 0 199.200 1.900 10 0 ADAERN Cc1noc2c1[C@@H](O)CCC2 238530778 573851807 /nfs/dbraw/zinc/85/18/07/573851807.db2.gz WQHDTZNKFOUDOW-LURJTMIESA-N 0 0 153.181 1.353 10 0 ADAERN CSC(=O)c1ccn(C)c1N 257888863 573851825 /nfs/dbraw/zinc/85/18/25/573851825.db2.gz ISGZJSCNSIFSGN-UHFFFAOYSA-N 0 0 170.237 1.111 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1cccc(F)c1F 585298982 573851829 /nfs/dbraw/zinc/85/18/29/573851829.db2.gz XZGDXBXXZDJZKG-CBAPKCEASA-N 0 0 199.200 1.900 10 0 ADAERN CCC1(O)CN(Cc2cscn2)C1 84359406 573851832 /nfs/dbraw/zinc/85/18/32/573851832.db2.gz IQLZSALFJRAZKW-UHFFFAOYSA-N 0 0 198.291 1.100 10 0 ADAERN Cc1ccc(O)c(N[C@H]2CC[C@H]2O)c1 585298731 573851845 /nfs/dbraw/zinc/85/18/45/573851845.db2.gz ATWIMIUPTHGAJE-WCBMZHEXSA-N 0 0 193.246 1.636 10 0 ADAERN CC(C)[C@@H](O)c1cccc(O)c1N 257889307 573851872 /nfs/dbraw/zinc/85/18/72/573851872.db2.gz NCGNBGVYAPDQBC-SNVBAGLBSA-N 0 0 181.235 1.664 10 0 ADAERN Cc1cc2cccnc2n1C[C@@H](C)O 258162043 573851883 /nfs/dbraw/zinc/85/18/83/573851883.db2.gz QPJMZBVOVUXTLN-SECBINFHSA-N 0 0 190.246 1.726 10 0 ADAERN Cc1cc2c(o1)CCC(=O)C2 238541418 573851894 /nfs/dbraw/zinc/85/18/94/573851894.db2.gz HAURTLWNTLADBP-UHFFFAOYSA-N 0 0 150.177 1.646 10 0 ADAERN Cc1cccc2c1C[C@H]1CC(=O)N[C@@H]21 238531053 573851902 /nfs/dbraw/zinc/85/19/02/573851902.db2.gz KWCVOBZDOPTZMV-QPUJVOFHSA-N 0 0 187.242 1.728 10 0 ADAERN Cc1cc(C)n([C@@H]2CC[C@H]2O)n1 585298931 573851908 /nfs/dbraw/zinc/85/19/08/573851908.db2.gz TVJZNJBZJCYRAA-RKDXNWHRSA-N 0 0 166.224 1.196 10 0 ADAERN CC1(C)CC[N@@H+](CC(C)(C)C(=O)[O-])C1 87256614 573852046 /nfs/dbraw/zinc/85/20/46/573852046.db2.gz UVFGONALIMFWII-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](/C=C\C(=O)[O-])C1 258153985 573851915 /nfs/dbraw/zinc/85/19/15/573851915.db2.gz KMDFQILBPQRECK-TYRPZCRBSA-N 0 0 183.251 1.358 10 0 ADAERN Cc1nc(N2CC(C)(O)C2)sc1C 84355766 573851918 /nfs/dbraw/zinc/85/19/18/573851918.db2.gz SVWILYCUMBLJGG-UHFFFAOYSA-N 0 0 198.291 1.331 10 0 ADAERN CC1CC[NH+](Cc2cc(N)no2)CC1 259212960 573851920 /nfs/dbraw/zinc/85/19/20/573851920.db2.gz LPOJPNFHRNEFMC-UHFFFAOYSA-N 0 0 195.266 1.489 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ncc(Cl)cn1 585298645 573851937 /nfs/dbraw/zinc/85/19/37/573851937.db2.gz YMGCSABDVLHQTO-NKWVEPMBSA-N 0 0 199.641 1.065 10 0 ADAERN Cc1cc(F)nc2nc(N)sc12 238539308 573851938 /nfs/dbraw/zinc/85/19/38/573851938.db2.gz PCOADQVFCUOEPU-UHFFFAOYSA-N 0 0 183.211 1.721 10 0 ADAERN CCCCCOCCC(N)=O 43639460 573851946 /nfs/dbraw/zinc/85/19/46/573851946.db2.gz ONDUSCPFYQIRPV-UHFFFAOYSA-N 0 0 159.229 1.069 10 0 ADAERN Cc1ccnc(N(C)[C@@H]2CC[C@H]2O)c1 585298007 573851947 /nfs/dbraw/zinc/85/19/47/573851947.db2.gz NRYMBXAJIACHBJ-NXEZZACHSA-N 0 0 192.262 1.350 10 0 ADAERN Cc1ccc2c(c1)NC[C@](C)(O)C2 257889311 573851948 /nfs/dbraw/zinc/85/19/48/573851948.db2.gz NCLYQDOHAKZELV-LLVKDONJSA-N 0 0 177.247 1.714 10 0 ADAERN CCn1nc(C)c2c1N[C@H](C)CN2 87260539 573851964 /nfs/dbraw/zinc/85/19/64/573851964.db2.gz VCEPTUDDSJYUJZ-ZCFIWIBFSA-N 0 0 180.255 1.437 10 0 ADAERN CC1(C)CC[N@@H+]([C@@H]2CCCC2=O)C1 87256900 573851970 /nfs/dbraw/zinc/85/19/70/573851970.db2.gz UVIRBHOVINNNOH-SECBINFHSA-N 0 0 181.279 1.840 10 0 ADAERN CC(=O)c1ccc2[nH]c(=O)cnc2c1 258163061 573851981 /nfs/dbraw/zinc/85/19/81/573851981.db2.gz VESKASAPHXGIMY-UHFFFAOYSA-N 0 0 188.186 1.538 10 0 ADAERN Cn1cnc(C(=O)[C@H]2CC2(C)C)n1 714758882 573851997 /nfs/dbraw/zinc/85/19/97/573851997.db2.gz OGINPHKXZJOYOS-ZCFIWIBFSA-N 0 0 179.223 1.044 10 0 ADAERN COCc1cc2c(cc1CO)OCO2 258155336 573852017 /nfs/dbraw/zinc/85/20/17/573852017.db2.gz ULKYSYHFWRGIOU-UHFFFAOYSA-N 0 0 196.202 1.054 10 0 ADAERN C[C@@H](O)c1cc(O)cc2c1OCCO2 258163155 573852028 /nfs/dbraw/zinc/85/20/28/573852028.db2.gz VHRKNZDZCBCOCX-ZCFIWIBFSA-N 0 0 196.202 1.217 10 0 ADAERN COC(=O)[C@@H](C)NCCC1CCCC1 43627179 573852029 /nfs/dbraw/zinc/85/20/29/573852029.db2.gz AGBMAZIGXLDDPG-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN O[C@@H]1CC[C@@H]1N1CCc2ccccc21 585298751 573852041 /nfs/dbraw/zinc/85/20/41/573852041.db2.gz CKDWYEVYXYJYNO-NWDGAFQWSA-N 0 0 189.258 1.572 10 0 ADAERN CCn1cc(N)nc1OC(C)C 257887659 573852052 /nfs/dbraw/zinc/85/20/52/573852052.db2.gz LMXGICCPXLGTRI-UHFFFAOYSA-N 0 0 169.228 1.272 10 0 ADAERN Cc1ccc([C@H]2CC[NH2+]2)c(C(=O)[O-])c1 238540100 573852063 /nfs/dbraw/zinc/85/20/63/573852063.db2.gz VIQUVWWPRXKBRR-SNVBAGLBSA-N 0 0 191.230 1.728 10 0 ADAERN CC1(O)CN(CCc2cccs2)C1 84357156 573852072 /nfs/dbraw/zinc/85/20/72/573852072.db2.gz JKLHFYWBAQMKOP-UHFFFAOYSA-N 0 0 197.303 1.357 10 0 ADAERN O[C@@H]1CC[C@H]1n1cc(Cl)cn1 585298764 573852090 /nfs/dbraw/zinc/85/20/90/573852090.db2.gz CWPAMRPXQDGYOT-RNFRBKRXSA-N 0 0 172.615 1.232 10 0 ADAERN COC(=O)/C=C/N1CCC(C)(C)C1 87256630 573852099 /nfs/dbraw/zinc/85/20/99/573852099.db2.gz UUBCEUYFDCAOGA-GQCTYLIASA-N 0 0 183.251 1.405 10 0 ADAERN Cc1nc2c(s1)C(=O)CC2 238539149 573852110 /nfs/dbraw/zinc/85/21/10/573852110.db2.gz ODYARWQVZHPYRF-UHFFFAOYSA-N 0 0 153.206 1.580 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCC(C)(C)C1 87256616 573852115 /nfs/dbraw/zinc/85/21/15/573852115.db2.gz AAKXOTZNMJQVFK-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CCCCCO[C@H](C)C(=O)OC 43626061 573852654 /nfs/dbraw/zinc/85/26/54/573852654.db2.gz UDNFWKWPQXILLH-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN COC(=O)[C@H](C)O[C@H](C)CC(C)C 43625744 573852132 /nfs/dbraw/zinc/85/21/32/573852132.db2.gz DWHISMPGWZAHHA-BDAKNGLRSA-N 0 0 188.267 1.999 10 0 ADAERN Cc1cc([C@H]([NH3+])C(=O)[O-])cc(O)c1C 258155406 573852145 /nfs/dbraw/zinc/85/21/45/573852145.db2.gz UMZQVOVLKBXBGH-VIFPVBQESA-N 0 0 195.218 1.093 10 0 ADAERN NC(=O)[C@@H]1OCCCc2ccccc21 238539837 573852147 /nfs/dbraw/zinc/85/21/47/573852147.db2.gz GGXOYDRFGGWOEM-SNVBAGLBSA-N 0 0 191.230 1.176 10 0 ADAERN CCCC[S@](=O)[C@H](C)C(=O)OC 43637468 573852162 /nfs/dbraw/zinc/85/21/62/573852162.db2.gz VRXADLVBJHPTBU-JMCQJSRRSA-N 0 0 192.280 1.097 10 0 ADAERN C[C@@H]1Cc2cccc(CCO)c2N1C 258162157 573852178 /nfs/dbraw/zinc/85/21/78/573852178.db2.gz RQZMJUKQSDDUAA-SECBINFHSA-N 0 0 191.274 1.602 10 0 ADAERN COC[C@H]1CCOc2c(N)cccc21 257888652 573852181 /nfs/dbraw/zinc/85/21/81/573852181.db2.gz WRWRQGUOKBYONJ-MRVPVSSYSA-N 0 0 193.246 1.781 10 0 ADAERN CCCc1nn(C)c2c1NCCCN2 87260469 573852189 /nfs/dbraw/zinc/85/21/89/573852189.db2.gz AYGPQHJLTAJMNJ-UHFFFAOYSA-N 0 0 194.282 1.600 10 0 ADAERN COc1cc(O)c(CON)cc1C 258163151 573852191 /nfs/dbraw/zinc/85/21/91/573852191.db2.gz VHNPAVCELRVCFL-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN C[C@]1(CN2CCC(=O)CC2)CCCO1 87254414 573852195 /nfs/dbraw/zinc/85/21/95/573852195.db2.gz XRRNSLWWDKDECQ-LLVKDONJSA-N 0 0 197.278 1.220 10 0 ADAERN COc1ccc(CCNO)cc1 258436969 573852216 /nfs/dbraw/zinc/85/22/16/573852216.db2.gz DPCWMXHIZVMSLB-UHFFFAOYSA-N 0 0 167.208 1.217 10 0 ADAERN Cc1[n-]n(C(C)(C)C)c(=O)c1CC[NH3+] 257889900 573852234 /nfs/dbraw/zinc/85/22/34/573852234.db2.gz KYLMJBJJHWVZGZ-UHFFFAOYSA-N 0 0 197.282 1.153 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCC(C)(C)C1 87256596 573852241 /nfs/dbraw/zinc/85/22/41/573852241.db2.gz VKHJNSGVBLJPHR-DTWKUNHWSA-N 0 0 199.294 1.828 10 0 ADAERN O[C@@H]1CC[C@@H]1n1cc(Cl)cn1 585298763 573852249 /nfs/dbraw/zinc/85/22/49/573852249.db2.gz CWPAMRPXQDGYOT-NKWVEPMBSA-N 0 0 172.615 1.232 10 0 ADAERN CCc1nccn1[C@@H](C)C(=O)OC 43627512 573852290 /nfs/dbraw/zinc/85/22/90/573852290.db2.gz VBNWWHHGRPPTFT-ZETCQYMHSA-N 0 0 182.223 1.180 10 0 ADAERN Cc1cc(C)c(CCCO)o1 238539108 573852313 /nfs/dbraw/zinc/85/23/13/573852313.db2.gz YTVRBTHNQOUVJT-UHFFFAOYSA-N 0 0 154.209 1.821 10 0 ADAERN CN1CCc2c(CCON)cccc21 258163054 573852318 /nfs/dbraw/zinc/85/23/18/573852318.db2.gz VERICUYJMNDGAI-UHFFFAOYSA-N 0 0 192.262 1.112 10 0 ADAERN C=C[S@](=O)/C=C/Cl 238539087 573852324 /nfs/dbraw/zinc/85/23/24/573852324.db2.gz JGXDSGOSAIGWEN-SDLBARTOSA-N 0 0 136.603 1.589 10 0 ADAERN c1cc2c(c(OC3COC3)c1)CCN2 257889821 573852333 /nfs/dbraw/zinc/85/23/33/573852333.db2.gz CHNLHLSNTRVFGW-UHFFFAOYSA-N 0 0 191.230 1.432 10 0 ADAERN COc1cccc(SC)c1CON 258154288 573852337 /nfs/dbraw/zinc/85/23/37/573852337.db2.gz OWXCHEWJGSIRCU-UHFFFAOYSA-N 0 0 199.275 1.807 10 0 ADAERN O=Cc1cc(F)c(C(F)F)cn1 238539406 573852348 /nfs/dbraw/zinc/85/23/48/573852348.db2.gz GINWJDZSAMKJFY-UHFFFAOYSA-N 0 0 175.109 1.971 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccc(F)c(F)c1 585298865 573852352 /nfs/dbraw/zinc/85/23/52/573852352.db2.gz OWDHJQBBZLLBDE-UWVGGRQHSA-N 0 0 199.200 1.900 10 0 ADAERN CCCCCC[C@@H](C)OCC(N)=O 43639414 573852355 /nfs/dbraw/zinc/85/23/55/573852355.db2.gz ATXQWMCLHLAKPY-SECBINFHSA-N 0 0 187.283 1.847 10 0 ADAERN COC(=O)[C@@H](C)O[C@@H](C)CC(C)C 43625750 573852373 /nfs/dbraw/zinc/85/23/73/573852373.db2.gz DWHISMPGWZAHHA-DTWKUNHWSA-N 0 0 188.267 1.999 10 0 ADAERN CC(C)c1nccn1[C@@H]1CC[C@H]1O 585298883 573852410 /nfs/dbraw/zinc/85/24/10/573852410.db2.gz POQXSQGWLTXJEV-RKDXNWHRSA-N 0 0 180.251 1.702 10 0 ADAERN CN(C(=O)C1CCCC1)[C@H]1CC[C@H]1O 585298521 573852433 /nfs/dbraw/zinc/85/24/33/573852433.db2.gz WMAXTNGIHHNETB-VHSXEESVSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@]1(Cn2cncc2C=O)CCCO1 87260247 573852438 /nfs/dbraw/zinc/85/24/38/573852438.db2.gz PSWYLVBHHSEEFG-SNVBAGLBSA-N 0 0 194.234 1.265 10 0 ADAERN O=C1[C@@H](F)CC[C@@H]1F 238540142 573852440 /nfs/dbraw/zinc/85/24/40/573852440.db2.gz SSRWKMJRZQERSQ-IMJSIDKUSA-N 0 0 120.098 1.026 10 0 ADAERN Cc1ccc(CN[C@H]2COC[C@@H]2F)o1 585297930 573852444 /nfs/dbraw/zinc/85/24/44/573852444.db2.gz MMVMWMILTNWDKB-UWVGGRQHSA-N 0 0 199.225 1.415 10 0 ADAERN OCc1noc2c1C(F)(F)CCC2 257887601 573852473 /nfs/dbraw/zinc/85/24/73/573852473.db2.gz WPEGLMOLUURILV-UHFFFAOYSA-N 0 0 189.161 1.595 10 0 ADAERN COC(=O)[C@@H](C)OC1CCCC1 43625544 573852474 /nfs/dbraw/zinc/85/24/74/573852474.db2.gz ANNPFLDFVDOIPG-SSDOTTSWSA-N 0 0 172.224 1.507 10 0 ADAERN COc1ccc(C)c(CCO)c1OC 258155410 573852494 /nfs/dbraw/zinc/85/24/94/573852494.db2.gz UNAFEKFAWFNJKK-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1ccc(F)cc1F 585298746 573852501 /nfs/dbraw/zinc/85/25/01/573852501.db2.gz CIIMCZVPTSKTPQ-NXEZZACHSA-N 0 0 199.200 1.900 10 0 ADAERN CCc1nccn1[C@H](C)C(=O)OC 43627514 573854475 /nfs/dbraw/zinc/85/44/75/573854475.db2.gz VBNWWHHGRPPTFT-SSDOTTSWSA-N 0 0 182.223 1.180 10 0 ADAERN CC(=O)c1cc(C)c2nc[nH]c2n1 238165888 573852586 /nfs/dbraw/zinc/85/25/86/573852586.db2.gz FEWWUFFRIFWICE-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN N=C(Cl)c1ccc(NC=O)cc1 238541607 573852593 /nfs/dbraw/zinc/85/25/93/573852593.db2.gz MWIKYNMVUWCAJM-UHFFFAOYSA-N 0 0 182.610 1.819 10 0 ADAERN CCn1nc(C)c2c1NCCN2 87260569 573852594 /nfs/dbraw/zinc/85/25/94/573852594.db2.gz BIPIOENYRDEIDH-UHFFFAOYSA-N 0 0 166.228 1.049 10 0 ADAERN Cc1nc(N[C@H]2CC[C@H]2O)sc1C 585298039 573852598 /nfs/dbraw/zinc/85/25/98/573852598.db2.gz OKHDNDCIWITIMD-JGVFFNPUSA-N 0 0 198.291 1.695 10 0 ADAERN Cc1cnc2c(c1)NC[C@H](C)N2 87260536 573852622 /nfs/dbraw/zinc/85/26/22/573852622.db2.gz MSDJZHNWAROBRU-ZETCQYMHSA-N 0 0 163.224 1.616 10 0 ADAERN C[C@H]1Cc2cccc(CCO)c2N1C 258162158 573853651 /nfs/dbraw/zinc/85/36/51/573853651.db2.gz RQZMJUKQSDDUAA-VIFPVBQESA-N 0 0 191.274 1.602 10 0 ADAERN CCCCCCOCCC(N)=O 43639443 573853795 /nfs/dbraw/zinc/85/37/95/573853795.db2.gz BGHWZTVVMHLERI-UHFFFAOYSA-N 0 0 173.256 1.459 10 0 ADAERN C[C@@H]1CN(C)c2c(N)cccc2N1 259212575 573854507 /nfs/dbraw/zinc/85/45/07/573854507.db2.gz LKLJLEFKQAJXQF-SSDOTTSWSA-N 0 0 177.251 1.519 10 0 ADAERN Cc1ccc(CN[C@@H]2COC[C@@H]2F)o1 585297931 573853440 /nfs/dbraw/zinc/85/34/40/573853440.db2.gz MMVMWMILTNWDKB-VHSXEESVSA-N 0 0 199.225 1.415 10 0 ADAERN CCCCCO[C@@H](C)C(=O)OC 43626059 573853441 /nfs/dbraw/zinc/85/34/41/573853441.db2.gz UDNFWKWPQXILLH-QMMMGPOBSA-N 0 0 174.240 1.755 10 0 ADAERN CCC1(O)CN(c2ccc(F)cn2)C1 84358844 573853451 /nfs/dbraw/zinc/85/34/51/573853451.db2.gz FPQHYKMKWVWVJC-UHFFFAOYSA-N 0 0 196.225 1.182 10 0 ADAERN CC(=O)c1cncc(C(C)(C)O)c1 238154171 573853458 /nfs/dbraw/zinc/85/34/58/573853458.db2.gz YMWKIRDLNIQPFA-UHFFFAOYSA-N 0 0 179.219 1.512 10 0 ADAERN NOCC[C@H]1CCCSC1 258436970 573853459 /nfs/dbraw/zinc/85/34/59/573853459.db2.gz DPDQJDWRUNNRCL-SSDOTTSWSA-N 0 0 161.270 1.410 10 0 ADAERN CSc1cc(CON)ccc1F 258163146 573853460 /nfs/dbraw/zinc/85/34/60/573853460.db2.gz VHCQCIVWBWZDLH-UHFFFAOYSA-N 0 0 187.239 1.938 10 0 ADAERN CCn1nc(C)c2c1N(C)CCN2 87260589 573853498 /nfs/dbraw/zinc/85/34/98/573853498.db2.gz RHJHQXDINHARKN-UHFFFAOYSA-N 0 0 180.255 1.073 10 0 ADAERN CC1CCC(OCCC(N)=O)CC1 43639354 573853504 /nfs/dbraw/zinc/85/35/04/573853504.db2.gz UMHLFPXKMLAISK-UHFFFAOYSA-N 0 0 185.267 1.457 10 0 ADAERN CCc1nn(C)c2c1NC[C@H](C)N2 87260549 573853505 /nfs/dbraw/zinc/85/35/05/573853505.db2.gz ONNCULGADBZOIV-LURJTMIESA-N 0 0 180.255 1.208 10 0 ADAERN C[C@@H]1CCCC[C@H]1OCCC(N)=O 43639369 573853531 /nfs/dbraw/zinc/85/35/31/573853531.db2.gz QOOQRRALWLLXAB-RKDXNWHRSA-N 0 0 185.267 1.457 10 0 ADAERN C/C=C\[C@H](O)[C@@](C)(O)c1ccccn1 308454362 573853534 /nfs/dbraw/zinc/85/35/34/573853534.db2.gz UZMFQMVBEQVJFX-QRAOYFGOSA-N 0 0 193.246 1.226 10 0 ADAERN C[C@H]1CNc2cccc(O)c2O1 259212362 573853539 /nfs/dbraw/zinc/85/35/39/573853539.db2.gz LINKIFFZPDQBPG-LURJTMIESA-N 0 0 165.192 1.585 10 0 ADAERN CN(C(=O)C1CCCC1)[C@@H]1CC[C@@H]1O 585298522 573853545 /nfs/dbraw/zinc/85/35/45/573853545.db2.gz WMAXTNGIHHNETB-ZJUUUORDSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@@H]1CN(c2ccccc2N)C(=O)N1 257888626 573853563 /nfs/dbraw/zinc/85/35/63/573853563.db2.gz WROJMJFTTWDEBE-SSDOTTSWSA-N 0 0 191.234 1.187 10 0 ADAERN Oc1ccccc1N[C@H]1CC[C@H]1O 585298910 573853565 /nfs/dbraw/zinc/85/35/65/573853565.db2.gz RHYLOLTZUBYJKJ-WCBMZHEXSA-N 0 0 179.219 1.327 10 0 ADAERN O=C1[C@H](F)[C@@H]2CC=C[C@@H]12 238530974 573853569 /nfs/dbraw/zinc/85/35/69/573853569.db2.gz KBWXNFURDFHFOW-HSUXUTPPSA-N 0 0 126.130 1.100 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1CNCC1=O 127402977 573853570 /nfs/dbraw/zinc/85/35/70/573853570.db2.gz QJWUDWJTWCKSRE-DTWKUNHWSA-N 0 0 184.283 1.200 10 0 ADAERN CC(C)[C@H]1CS[C@@H]1O 238165997 573853601 /nfs/dbraw/zinc/85/36/01/573853601.db2.gz NKGSFYKHGXKEEJ-RITPCOANSA-N 0 0 132.228 1.324 10 0 ADAERN CN(c1ccc(O)cc1)[C@H]1CC[C@@H]1O 585298906 573853604 /nfs/dbraw/zinc/85/36/04/573853604.db2.gz QVVJFXOTHOGBFS-QWRGUYRKSA-N 0 0 193.246 1.352 10 0 ADAERN CC(C)([NH3+])c1ccc([O-])c(F)c1F 238154063 573853648 /nfs/dbraw/zinc/85/36/48/573853648.db2.gz LRKUFGFVGZMZOS-UHFFFAOYSA-N 0 0 187.189 1.864 10 0 ADAERN COC(=O)/C=C(\C)c1cncc(F)c1 308453647 573853618 /nfs/dbraw/zinc/85/36/18/573853618.db2.gz PSJVXVNXSMROIJ-XVNBXDOJSA-N 0 0 195.193 1.797 10 0 ADAERN ONCc1cc(CF)cc(F)c1F 258155333 573853621 /nfs/dbraw/zinc/85/36/21/573853621.db2.gz ULIZLKTVPZSRNV-UHFFFAOYSA-N 0 0 191.152 1.913 10 0 ADAERN OCc1ccccc1N[C@@H]1CC[C@H]1O 585298896 573853624 /nfs/dbraw/zinc/85/36/24/573853624.db2.gz QMJZNMZOOAGBTD-GHMZBOCLSA-N 0 0 193.246 1.114 10 0 ADAERN NC(=O)CCc1cccc2cc[nH]c12 238539871 573853633 /nfs/dbraw/zinc/85/36/33/573853633.db2.gz DNPFSITYNPSQMS-UHFFFAOYSA-N 0 0 188.230 1.586 10 0 ADAERN CC(C)(O)Cc1ccc(CON)cc1 259575072 573853665 /nfs/dbraw/zinc/85/36/65/573853665.db2.gz XPPUJLCGBGVHMM-UHFFFAOYSA-N 0 0 195.262 1.390 10 0 ADAERN Oc1cccc(N[C@H]2CC[C@H]2O)c1 585298777 573853684 /nfs/dbraw/zinc/85/36/84/573853684.db2.gz GSBBBSXOBQKKED-VHSXEESVSA-N 0 0 179.219 1.327 10 0 ADAERN CC(C)C[C@]1(O)CCCC1=O 238166308 573853690 /nfs/dbraw/zinc/85/36/90/573853690.db2.gz HVPLAPBWHKVXMZ-SECBINFHSA-N 0 0 156.225 1.517 10 0 ADAERN CC[C@@H](O)/C(C)=C/C(C)(C)O 101241528 573853711 /nfs/dbraw/zinc/85/37/11/573853711.db2.gz SOIMUGCEWXVOAG-HYDMIIDASA-N 0 0 158.241 1.475 10 0 ADAERN CN(C#N)CCC1CCC1 259210481 573853736 /nfs/dbraw/zinc/85/37/36/573853736.db2.gz ACYBEYWQBDOBOI-UHFFFAOYSA-N 0 0 138.214 1.589 10 0 ADAERN CC(=O)c1c(OC(C)C)[nH]ccc1=O 238166147 573853747 /nfs/dbraw/zinc/85/37/47/573853747.db2.gz BWXNOZHGLPYKEG-UHFFFAOYSA-N 0 0 195.218 1.777 10 0 ADAERN Cc1c(O)ccc(C[C@H](C)O)c1O 258163057 573853756 /nfs/dbraw/zinc/85/37/56/573853756.db2.gz VERLURMUYMSCPU-LURJTMIESA-N 0 0 182.219 1.330 10 0 ADAERN CC(C)(C)[C@@H]1CC[NH2+][C@H](C(=O)[O-])C1 238154304 573853758 /nfs/dbraw/zinc/85/37/58/573853758.db2.gz TYTJHUHYZVFQDK-SFYZADRCSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)c1cncc(C(C)=O)c1C 238154212 573853781 /nfs/dbraw/zinc/85/37/81/573853781.db2.gz HEKXKUBIELHHIE-UHFFFAOYSA-N 0 0 177.203 1.795 10 0 ADAERN CN1C[C@@H](CCO)c2cc(O)ccc21 258162106 573854414 /nfs/dbraw/zinc/85/44/14/573854414.db2.gz RQMVMFIUNBHANJ-MRVPVSSYSA-N 0 0 193.246 1.308 10 0 ADAERN C[C@H]1CN(C)c2c(N)cccc2N1 259212579 573853802 /nfs/dbraw/zinc/85/38/02/573853802.db2.gz LKLJLEFKQAJXQF-ZETCQYMHSA-N 0 0 177.251 1.519 10 0 ADAERN Cc1nc(N[C@H]2CC[C@@H]2O)sc1C 585298041 573854415 /nfs/dbraw/zinc/85/44/15/573854415.db2.gz OKHDNDCIWITIMD-YUMQZZPRSA-N 0 0 198.291 1.695 10 0 ADAERN CC(=O)[C@@H](CC(C)C)[C@H](C)O 238154563 573853817 /nfs/dbraw/zinc/85/38/17/573853817.db2.gz ZURZRAAAEZNTTI-CBAPKCEASA-N 0 0 158.241 1.619 10 0 ADAERN CCCn1ncnc1[C@@H](O)CC1CC1 308455449 573853819 /nfs/dbraw/zinc/85/38/19/573853819.db2.gz DMTXLUZFFOOHHX-VIFPVBQESA-N 0 0 195.266 1.522 10 0 ADAERN Oc1ccc(OCc2c[nH]cn2)cc1 258154181 573853825 /nfs/dbraw/zinc/85/38/25/573853825.db2.gz LLMQFPOOPZFGNF-UHFFFAOYSA-N 0 0 190.202 1.694 10 0 ADAERN CCCC1=NC(C)(C)C(=O)N1 101233987 573853845 /nfs/dbraw/zinc/85/38/45/573853845.db2.gz CGCWFGVQPJHGJM-UHFFFAOYSA-N 0 0 154.213 1.093 10 0 ADAERN CCC(C)(C)O[C@@H](C)C(=O)OC 43625829 573853859 /nfs/dbraw/zinc/85/38/59/573853859.db2.gz VBIPOYBPNUBHFJ-ZETCQYMHSA-N 0 0 174.240 1.753 10 0 ADAERN COC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 101211217 573853872 /nfs/dbraw/zinc/85/38/72/573853872.db2.gz VZGCCIGVKNJKQR-HRDYMLBCSA-N 0 0 168.236 1.986 10 0 ADAERN COc1cccc(N[C@H]2CC[C@@H]2O)c1 585298794 573854423 /nfs/dbraw/zinc/85/44/23/573854423.db2.gz JTKMTFWZAVBPTA-QWRGUYRKSA-N 0 0 193.246 1.630 10 0 ADAERN CC(C)(CNCNN)c1cccs1 258969422 573853898 /nfs/dbraw/zinc/85/38/98/573853898.db2.gz BMGHVQRGBUNMOO-UHFFFAOYSA-N 0 0 199.323 1.036 10 0 ADAERN Nc1n[nH]cc1-c1c(O)cccc1O 258163147 573854424 /nfs/dbraw/zinc/85/44/24/573854424.db2.gz VHCUXVNKHIKGJU-UHFFFAOYSA-N 0 0 191.190 1.070 10 0 ADAERN CC(=O)CC(=O)N1CCC(C)(C)C1 87254157 573853924 /nfs/dbraw/zinc/85/39/24/573853924.db2.gz GCXLHNVYUYDZJO-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN COC(=O)[C@@H](C)n1ccnc1C(C)C 43627067 573853944 /nfs/dbraw/zinc/85/39/44/573853944.db2.gz CAPPQAVFCAWLIU-MRVPVSSYSA-N 0 0 196.250 1.741 10 0 ADAERN COC(=O)[C@H](C)O[C@@H](C)CC(C)C 43625746 573853984 /nfs/dbraw/zinc/85/39/84/573853984.db2.gz DWHISMPGWZAHHA-IUCAKERBSA-N 0 0 188.267 1.999 10 0 ADAERN O[C@H]1CC[C@H]1n1cnc2ccccc21 585298973 573853986 /nfs/dbraw/zinc/85/39/86/573853986.db2.gz XNACMLRSCVTZFB-MNOVXSKESA-N 0 0 188.230 1.732 10 0 ADAERN OCc1ccccc1N[C@@H]1CC[C@@H]1O 585298897 573854012 /nfs/dbraw/zinc/85/40/12/573854012.db2.gz QMJZNMZOOAGBTD-MNOVXSKESA-N 0 0 193.246 1.114 10 0 ADAERN Cc1cc(C)n([C@H]2CC[C@@H]2O)n1 585298930 573854018 /nfs/dbraw/zinc/85/40/18/573854018.db2.gz TVJZNJBZJCYRAA-IUCAKERBSA-N 0 0 166.224 1.196 10 0 ADAERN Cc1ccc(O)c(N[C@@H]2CC[C@@H]2O)c1 585298730 573854027 /nfs/dbraw/zinc/85/40/27/573854027.db2.gz ATWIMIUPTHGAJE-SCZZXKLOSA-N 0 0 193.246 1.636 10 0 ADAERN C[C@H]1CNc2c(CO)cccc2N1 258437135 573854032 /nfs/dbraw/zinc/85/40/32/573854032.db2.gz GFLAKGVWNUWZGK-ZETCQYMHSA-N 0 0 178.235 1.405 10 0 ADAERN CC[C@@H](C)C[C@H](C)N1CNCC1=O 127403215 573854043 /nfs/dbraw/zinc/85/40/43/573854043.db2.gz QJWUDWJTWCKSRE-BDAKNGLRSA-N 0 0 184.283 1.200 10 0 ADAERN Cc1ccc(F)c(O)c1CC1(O)CC1 258155428 573854054 /nfs/dbraw/zinc/85/40/54/573854054.db2.gz UNPADNJZIIQTOQ-UHFFFAOYSA-N 0 0 196.221 1.907 10 0 ADAERN CCc1nn(C)c2c1NC[C@@H](C)N2 87260547 573854071 /nfs/dbraw/zinc/85/40/71/573854071.db2.gz ONNCULGADBZOIV-ZCFIWIBFSA-N 0 0 180.255 1.208 10 0 ADAERN OCc1cnc([C@@H]2CCSC2)o1 258154887 573854432 /nfs/dbraw/zinc/85/44/32/573854432.db2.gz QSNCSHFKPVWXQU-ZCFIWIBFSA-N 0 0 185.248 1.387 10 0 ADAERN CCC1(O)CN(c2cccc(C)n2)C1 84359026 573854085 /nfs/dbraw/zinc/85/40/85/573854085.db2.gz WVLQXVHSQGCQRT-UHFFFAOYSA-N 0 0 192.262 1.351 10 0 ADAERN CC1=C(C)CC2(C1)OCCO2 223680197 573854242 /nfs/dbraw/zinc/85/42/42/573854242.db2.gz AZARFQNITDCDDL-UHFFFAOYSA-N 0 0 154.209 1.860 10 0 ADAERN Cc1ccc(N[C@H]2CC[C@H]2O)cc1O 585298992 573854107 /nfs/dbraw/zinc/85/41/07/573854107.db2.gz YINMUAYFNFVTSY-VHSXEESVSA-N 0 0 193.246 1.636 10 0 ADAERN CC(C)(C)[C@@H]1CC[NH2+][C@@H](C(=O)[O-])C1 238154276 573854111 /nfs/dbraw/zinc/85/41/11/573854111.db2.gz TYTJHUHYZVFQDK-HTQZYQBOSA-N 0 0 185.267 1.485 10 0 ADAERN CN(C=O)c1cccs1 101239296 573854127 /nfs/dbraw/zinc/85/41/27/573854127.db2.gz KSNFTTSFCCHGAJ-UHFFFAOYSA-N 0 0 141.195 1.341 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H]1C 238166119 573854150 /nfs/dbraw/zinc/85/41/50/573854150.db2.gz SQSPMHGTAJAWQW-FXQIFTODSA-N 0 0 155.241 1.413 10 0 ADAERN CCCc1nn(C)c2c1NC[C@H](C)N2 87260498 573854153 /nfs/dbraw/zinc/85/41/53/573854153.db2.gz HCZJNMOCKXXEGQ-ZETCQYMHSA-N 0 0 194.282 1.599 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccc(F)cc1F 585298748 573854160 /nfs/dbraw/zinc/85/41/60/573854160.db2.gz CIIMCZVPTSKTPQ-VHSXEESVSA-N 0 0 199.200 1.900 10 0 ADAERN Cc1ncc([C@@H](C)CO)o1 257889220 573854161 /nfs/dbraw/zinc/85/41/61/573854161.db2.gz AXPRPAMGQXORFF-YFKPBYRVSA-N 0 0 141.170 1.079 10 0 ADAERN COc1c(C)cc(CCCO)cc1O 258155346 573854169 /nfs/dbraw/zinc/85/41/69/573854169.db2.gz ULPPEIIRSIGIML-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN O[C@@H]1CC[C@@H]1n1cnc2ccccc21 585298975 573854170 /nfs/dbraw/zinc/85/41/70/573854170.db2.gz XNACMLRSCVTZFB-WDEREUQCSA-N 0 0 188.230 1.732 10 0 ADAERN COC(=O)[C@H](C)n1ccnc1C(C)C 43627064 573854186 /nfs/dbraw/zinc/85/41/86/573854186.db2.gz CAPPQAVFCAWLIU-QMMMGPOBSA-N 0 0 196.250 1.741 10 0 ADAERN NOCC[C@@H]1CCCSC1 258436973 573854190 /nfs/dbraw/zinc/85/41/90/573854190.db2.gz DPDQJDWRUNNRCL-ZETCQYMHSA-N 0 0 161.270 1.410 10 0 ADAERN CC(=O)[C@@H]1CC[C@@H](F)C1 238166049 573854213 /nfs/dbraw/zinc/85/42/13/573854213.db2.gz PSZKPKIZLJNKOP-RNFRBKRXSA-N 0 0 130.162 1.714 10 0 ADAERN Cn1cc(C(F)(F)F)c(C=O)n1 238542546 573854441 /nfs/dbraw/zinc/85/44/41/573854441.db2.gz QGPBAGMVIVYYHF-UHFFFAOYSA-N 0 0 178.113 1.251 10 0 ADAERN CCC1(O)CN(c2nc(C)cs2)C1 84358843 573854234 /nfs/dbraw/zinc/85/42/34/573854234.db2.gz MHFKJNDSMFRJOG-UHFFFAOYSA-N 0 0 198.291 1.413 10 0 ADAERN CC(C)(C)OCCCCCO 78219547 573854249 /nfs/dbraw/zinc/85/42/49/573854249.db2.gz LEYGAEPLWCVRSE-UHFFFAOYSA-N 0 0 160.257 1.964 10 0 ADAERN Cc1cc2c(c([C@H](C)O)c1)OCCO2 258155341 573854272 /nfs/dbraw/zinc/85/42/72/573854272.db2.gz ULNAYFOBWMQQOQ-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCC(C)(C)C1 87256598 573854273 /nfs/dbraw/zinc/85/42/73/573854273.db2.gz VKHJNSGVBLJPHR-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN CN(C)c1ccccc1CC1(O)CC1 258163149 573854282 /nfs/dbraw/zinc/85/42/82/573854282.db2.gz VHJXWASQSGQOBD-UHFFFAOYSA-N 0 0 191.274 1.820 10 0 ADAERN CC(C)C[C@]1(O)C(=O)CC1(C)C 238166278 573854284 /nfs/dbraw/zinc/85/42/84/573854284.db2.gz AFMJJKVFPUKDOF-JTQLQIEISA-N 0 0 170.252 1.763 10 0 ADAERN Cc1ccnc(N(C)[C@H]2CC[C@H]2O)c1 585298009 573854289 /nfs/dbraw/zinc/85/42/89/573854289.db2.gz NRYMBXAJIACHBJ-VHSXEESVSA-N 0 0 192.262 1.350 10 0 ADAERN COc1ccccc1N[C@H]1CC[C@H]1O 585298854 573854443 /nfs/dbraw/zinc/85/44/43/573854443.db2.gz NGMNVFNQMICZJN-WCBMZHEXSA-N 0 0 193.246 1.630 10 0 ADAERN CC(C)C[P@H](=O)OCCO 238167084 573854304 /nfs/dbraw/zinc/85/43/04/573854304.db2.gz ASUFDGORWIXYAB-UHFFFAOYSA-N 0 0 166.157 1.126 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCC(C)(C)C1 87256565 573854311 /nfs/dbraw/zinc/85/43/11/573854311.db2.gz LKVLDGQTXWGLKB-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN CC(C)Cc1coc(=O)[nH]1 258437022 573854321 /nfs/dbraw/zinc/85/43/21/573854321.db2.gz DQJFTUIJRXKJRM-UHFFFAOYSA-N 0 0 141.170 1.579 10 0 ADAERN CC[C@@H](CC(=O)[O-])[N@@H+]1CCC(C)(C)C1 87259369 573854332 /nfs/dbraw/zinc/85/43/32/573854332.db2.gz KYULMIWBOYHFAC-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC1(O)CN(CCc2ccccc2)C1 84356978 573854340 /nfs/dbraw/zinc/85/43/40/573854340.db2.gz HRAKHMYLRAQYMZ-UHFFFAOYSA-N 0 0 191.274 1.296 10 0 ADAERN C[C@](O)(CNN)C1CCCCCC1 257889348 573854342 /nfs/dbraw/zinc/85/43/42/573854342.db2.gz NDTALASTEHQWGH-JTQLQIEISA-N 0 0 186.299 1.171 10 0 ADAERN CC(C)(C)[C@H]([NH3+])[C@@H]1C[C@H]1C(=O)[O-] 259213022 573854347 /nfs/dbraw/zinc/85/43/47/573854347.db2.gz GMRLRVLPAOKAPI-FSDSQADBSA-N 0 0 171.240 1.081 10 0 ADAERN CC(C)[C@H]1COc2cnc(CO)cc21 238165856 573854350 /nfs/dbraw/zinc/85/43/50/573854350.db2.gz JPHJPKZITFNBOT-SNVBAGLBSA-N 0 0 193.246 1.706 10 0 ADAERN CC[C@@H](C)[S@@](=O)[C@@H](C)C(=O)OC 43637399 573854365 /nfs/dbraw/zinc/85/43/65/573854365.db2.gz MVXXIHWYOICBSQ-LTMDPNIMSA-N 0 0 192.280 1.095 10 0 ADAERN CC(C)c1nc2c(N)n[nH]c2s1 238167161 573854369 /nfs/dbraw/zinc/85/43/69/573854369.db2.gz UCBNWVLCUQKHSI-UHFFFAOYSA-N 0 0 182.252 1.725 10 0 ADAERN CC(C)Cc1nc(C=O)no1 258154101 573854371 /nfs/dbraw/zinc/85/43/71/573854371.db2.gz WKKDCSQYCUMKQE-UHFFFAOYSA-N 0 0 154.169 1.081 10 0 ADAERN CC(C)[N@H+]1CC=C([C@@H](C)C(=O)[O-])CC1 258162033 573854457 /nfs/dbraw/zinc/85/44/57/573854457.db2.gz RPMRMRHFHOXBDV-SECBINFHSA-N 0 0 197.278 1.748 10 0 ADAERN Cc1ccc(O)c(N[C@H]2CC[C@@H]2O)c1 585298732 573855926 /nfs/dbraw/zinc/85/59/26/573855926.db2.gz ATWIMIUPTHGAJE-WPRPVWTQSA-N 0 0 193.246 1.636 10 0 ADAERN CCCc1nn(C)c2c1NC[C@@H](C)N2 87260496 573856242 /nfs/dbraw/zinc/85/62/42/573856242.db2.gz HCZJNMOCKXXEGQ-SSDOTTSWSA-N 0 0 194.282 1.599 10 0 ADAERN C[C@@H]1CCO[C@H]1c1ocnc1CO 125270867 573855255 /nfs/dbraw/zinc/85/52/55/573855255.db2.gz ZWOHCTVQGWQGLK-HTRCEHHLSA-N 0 0 183.207 1.264 10 0 ADAERN Cc1ccn(CC2(O)CCC2)n1 585298774 573855263 /nfs/dbraw/zinc/85/52/63/573855263.db2.gz GGAOMHJBLXKRLY-UHFFFAOYSA-N 0 0 166.224 1.107 10 0 ADAERN C[C@@H]1CCCC[C@@H]1OCCC(N)=O 43639367 573855265 /nfs/dbraw/zinc/85/52/65/573855265.db2.gz QOOQRRALWLLXAB-BDAKNGLRSA-N 0 0 185.267 1.457 10 0 ADAERN Cc1cc(F)c2n[nH]nc2c1 238542830 573855292 /nfs/dbraw/zinc/85/52/92/573855292.db2.gz XSALUILEPUKXCS-UHFFFAOYSA-N 0 0 151.144 1.405 10 0 ADAERN Cc1cc(CNC(N)=O)cc(C)c1F 87257142 573855293 /nfs/dbraw/zinc/85/52/93/573855293.db2.gz VZAYDETVDJIVBB-UHFFFAOYSA-N 0 0 196.225 1.611 10 0 ADAERN Cc1ccc(CN[C@H]2COC[C@H]2F)o1 585297932 573855295 /nfs/dbraw/zinc/85/52/95/573855295.db2.gz MMVMWMILTNWDKB-ZJUUUORDSA-N 0 0 199.225 1.415 10 0 ADAERN CC(=O)OC[C@H]1CCCc2nc[nH]c21 238166008 573855311 /nfs/dbraw/zinc/85/53/11/573855311.db2.gz YDZJRCNKXNYGDM-MRVPVSSYSA-N 0 0 194.234 1.393 10 0 ADAERN Cn1cc(C(C)(C)O)c(C(C)(C)O)c1 238542389 573855313 /nfs/dbraw/zinc/85/53/13/573855313.db2.gz KYYCSSFIEAOYCO-UHFFFAOYSA-N 0 0 197.278 1.480 10 0 ADAERN C[C@@]1(Cn2cccc2C=O)CCCO1 87257427 573855323 /nfs/dbraw/zinc/85/53/23/573855323.db2.gz HGEXUTQIBVMQFF-NSHDSACASA-N 0 0 193.246 1.870 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1ocnc1CO 125270398 573855327 /nfs/dbraw/zinc/85/53/27/573855327.db2.gz ZWOHCTVQGWQGLK-SVRRBLITSA-N 0 0 183.207 1.264 10 0 ADAERN CCC1(O)CN(Cc2cccs2)C1 84359730 573855328 /nfs/dbraw/zinc/85/53/28/573855328.db2.gz BYSLZYSIPLDRPG-UHFFFAOYSA-N 0 0 197.303 1.705 10 0 ADAERN O[C@H]1CC[C@H]1n1cc(Cl)cn1 585298765 573855333 /nfs/dbraw/zinc/85/53/33/573855333.db2.gz CWPAMRPXQDGYOT-RQJHMYQMSA-N 0 0 172.615 1.232 10 0 ADAERN Cc1o[nH]c2c(CC(C)C)[nH]c(=O)c1-2 238153974 573855334 /nfs/dbraw/zinc/85/53/34/573855334.db2.gz MMIRZQYFOOFFNP-SSDOTTSWSA-N 0 0 194.234 1.814 10 0 ADAERN COC(=O)[C@H](C)OC1CCCC1 43625543 573855343 /nfs/dbraw/zinc/85/53/43/573855343.db2.gz ANNPFLDFVDOIPG-ZETCQYMHSA-N 0 0 172.224 1.507 10 0 ADAERN CC(=O)[C@@H]1CC[C@@]1(C)F 238166512 573856201 /nfs/dbraw/zinc/85/62/01/573856201.db2.gz OAIGBFGSMYQFGT-NKWVEPMBSA-N 0 0 130.162 1.714 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@@H]1c1ccco1 238153679 573855386 /nfs/dbraw/zinc/85/53/86/573855386.db2.gz APNIFFZNEIINQY-DTWKUNHWSA-N 0 0 193.246 1.908 10 0 ADAERN O[C@H]1CC[C@@H]1n1cnc2ccccc21 585298974 573855425 /nfs/dbraw/zinc/85/54/25/573855425.db2.gz XNACMLRSCVTZFB-QWRGUYRKSA-N 0 0 188.230 1.732 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccc(F)c(F)c1 585298866 573855434 /nfs/dbraw/zinc/85/54/34/573855434.db2.gz OWDHJQBBZLLBDE-VHSXEESVSA-N 0 0 199.200 1.900 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1ccc(F)c(F)c1 585298864 573855440 /nfs/dbraw/zinc/85/54/40/573855440.db2.gz OWDHJQBBZLLBDE-NXEZZACHSA-N 0 0 199.200 1.900 10 0 ADAERN CC(C)=C[C@@H]1[C@@H](NC(N)=O)C1(C)C 238166043 573855452 /nfs/dbraw/zinc/85/54/52/573855452.db2.gz YBBQRQUBSHSETP-HTQZYQBOSA-N 0 0 182.267 1.646 10 0 ADAERN COc1cc2c(cc1F)NCCN2 87260566 573855486 /nfs/dbraw/zinc/85/54/86/573855486.db2.gz PJPJNQOQCWXWND-UHFFFAOYSA-N 0 0 182.198 1.672 10 0 ADAERN C[C@H](OCC(N)=O)c1ccccc1 43639371 573855498 /nfs/dbraw/zinc/85/54/98/573855498.db2.gz ZQJCVDBIZWGPOI-QMMMGPOBSA-N 0 0 179.219 1.250 10 0 ADAERN CN1CCc2cccc(CCCO)c21 257888644 573855507 /nfs/dbraw/zinc/85/55/07/573855507.db2.gz WRSBMSALRXLRHM-UHFFFAOYSA-N 0 0 191.274 1.604 10 0 ADAERN Cc1ccc(N[C@@H]2CC[C@H]2O)cc1O 585298990 573855517 /nfs/dbraw/zinc/85/55/17/573855517.db2.gz YINMUAYFNFVTSY-NXEZZACHSA-N 0 0 193.246 1.636 10 0 ADAERN CC(C)OC(=O)CN[C@@H]1C=CCCC1 308769500 573855526 /nfs/dbraw/zinc/85/55/26/573855526.db2.gz YEROAIGLIFGVPB-SNVBAGLBSA-N 0 0 197.278 1.636 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1cccc(F)c1F 585298984 573855536 /nfs/dbraw/zinc/85/55/36/573855536.db2.gz XZGDXBXXZDJZKG-VXNVDRBHSA-N 0 0 199.200 1.900 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@H](C)[C@@H]1C 238166586 573855542 /nfs/dbraw/zinc/85/55/42/573855542.db2.gz SQSPMHGTAJAWQW-RNJXMRFFSA-N 0 0 155.241 1.413 10 0 ADAERN CN(C(=O)C1CCCC1)[C@H]1CC[C@@H]1O 585298520 573855561 /nfs/dbraw/zinc/85/55/61/573855561.db2.gz WMAXTNGIHHNETB-UWVGGRQHSA-N 0 0 197.278 1.158 10 0 ADAERN O=C(NCl)NC1CCCCC1 238541761 573855572 /nfs/dbraw/zinc/85/55/72/573855572.db2.gz OHDDNEBIERYHTQ-UHFFFAOYSA-N 0 0 176.647 1.772 10 0 ADAERN CC(C)CC[NH2+]C1CC(C(=O)[O-])C1 259210735 573855573 /nfs/dbraw/zinc/85/55/73/573855573.db2.gz JOUSEJCUDZFULO-UHFFFAOYSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)Oc1ncnc2cc[nH]c12 238167259 573855574 /nfs/dbraw/zinc/85/55/74/573855574.db2.gz LHEZDXSTFHSFDU-UHFFFAOYSA-N 0 0 177.207 1.745 10 0 ADAERN O=C1OCc2cc(F)c(F)c(F)c21 238542188 573855585 /nfs/dbraw/zinc/85/55/85/573855585.db2.gz KKDMMZDBXFCPME-UHFFFAOYSA-N 0 0 188.104 1.774 10 0 ADAERN CC(=O)c1cc(O)c2c(c1)CCCO2 238166832 573855608 /nfs/dbraw/zinc/85/56/08/573855608.db2.gz MNCLNBYRMGRSCV-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN NC(=O)[C@@H]1CC[C@@H]2CCC[C@@H]21 238542478 573855647 /nfs/dbraw/zinc/85/56/47/573855647.db2.gz HNZORCDUEHMQPP-BIIVOSGPSA-N 0 0 153.225 1.298 10 0 ADAERN Cn1nc(CC2CC2)c2c1C[NH2+]CC2 238542154 573855658 /nfs/dbraw/zinc/85/56/58/573855658.db2.gz NGVUNSFTLITHQM-UHFFFAOYSA-N 0 0 191.278 1.018 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ncc(Cl)cn1 585298646 573855675 /nfs/dbraw/zinc/85/56/75/573855675.db2.gz YMGCSABDVLHQTO-RQJHMYQMSA-N 0 0 199.641 1.065 10 0 ADAERN C[C@H](C[N@@H+]1CCC(C)(C)C1)C(=O)[O-] 87256628 573855680 /nfs/dbraw/zinc/85/56/80/573855680.db2.gz TXFQHPKVUHWFNH-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN Cc1c(C)c(O)c(N)c(C)c1N 238542918 573855686 /nfs/dbraw/zinc/85/56/86/573855686.db2.gz QFGICBVOKWPUGI-UHFFFAOYSA-N 0 0 166.224 1.482 10 0 ADAERN COc1cccc(N[C@@H]2CC[C@H]2O)c1 585298792 573855687 /nfs/dbraw/zinc/85/56/87/573855687.db2.gz JTKMTFWZAVBPTA-GHMZBOCLSA-N 0 0 193.246 1.630 10 0 ADAERN COCC(C)(C)C(=O)C(C)C 223556677 573855705 /nfs/dbraw/zinc/85/57/05/573855705.db2.gz BIZHOQHEQIJEFG-UHFFFAOYSA-N 0 0 158.241 1.884 10 0 ADAERN COC(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 101211216 573855712 /nfs/dbraw/zinc/85/57/12/573855712.db2.gz VZGCCIGVKNJKQR-VGMNWLOBSA-N 0 0 168.236 1.986 10 0 ADAERN Cc1ccnc(N(C)[C@@H]2CC[C@@H]2O)c1 585298010 573855719 /nfs/dbraw/zinc/85/57/19/573855719.db2.gz NRYMBXAJIACHBJ-ZJUUUORDSA-N 0 0 192.262 1.350 10 0 ADAERN Cc1ccc2c(c1)NC[C@@H](CO)C2 11633098 573855728 /nfs/dbraw/zinc/85/57/28/573855728.db2.gz QQWHOXQOFQXBPM-VIFPVBQESA-N 0 0 177.247 1.572 10 0 ADAERN COC(=O)[C@H](F)c1ccccc1O 257890282 573856221 /nfs/dbraw/zinc/85/62/21/573856221.db2.gz NGJBIOLZQXFCPY-MRVPVSSYSA-N 0 0 184.166 1.576 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@@H+]1CCC(C)(C)C1 87256602 573855765 /nfs/dbraw/zinc/85/57/65/573855765.db2.gz VKHJNSGVBLJPHR-BDAKNGLRSA-N 0 0 199.294 1.828 10 0 ADAERN O=C1NCCSCC12CCC2 259212274 573855776 /nfs/dbraw/zinc/85/57/76/573855776.db2.gz LHPNLTCHZPYQSN-UHFFFAOYSA-N 0 0 171.265 1.020 10 0 ADAERN C[C@]1(Cn2cccc2C=O)CCCO1 87257425 573855780 /nfs/dbraw/zinc/85/57/80/573855780.db2.gz HGEXUTQIBVMQFF-LLVKDONJSA-N 0 0 193.246 1.870 10 0 ADAERN CC1(C)OC(=O)N[C@H]1c1ccco1 238166981 573855782 /nfs/dbraw/zinc/85/57/82/573855782.db2.gz FFMOLRVPKDLDTL-ZETCQYMHSA-N 0 0 181.191 1.839 10 0 ADAERN CCC1(CC)CCN(C=O)C1 87259685 573855794 /nfs/dbraw/zinc/85/57/94/573855794.db2.gz MPIUGQXOJMZVDY-UHFFFAOYSA-N 0 0 155.241 1.655 10 0 ADAERN O=C1CNc2cc(O)ccc2S1 259212664 573855797 /nfs/dbraw/zinc/85/57/97/573855797.db2.gz LLDIBWRAFKNYRI-UHFFFAOYSA-N 0 0 181.216 1.436 10 0 ADAERN C[C@@]1(CN2CCC(=O)CC2)CCCO1 87254415 573855818 /nfs/dbraw/zinc/85/58/18/573855818.db2.gz XRRNSLWWDKDECQ-NSHDSACASA-N 0 0 197.278 1.220 10 0 ADAERN O[C@@H]1CC[C@H]2N=C(C3CC3)O[C@H]2C1 258156235 573855838 /nfs/dbraw/zinc/85/58/38/573855838.db2.gz YEXVPZMOFHFEDK-HLTSFMKQSA-N 0 0 181.235 1.107 10 0 ADAERN Cc1cc(F)c2nncn2c1 238542850 573855842 /nfs/dbraw/zinc/85/58/42/573855842.db2.gz KBZMLHUREDSABB-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN Cc1cc(C(=O)[O-])c2nc[nH]c2c1 238542206 573855845 /nfs/dbraw/zinc/85/58/45/573855845.db2.gz FLCUXHCHDAJZLA-UHFFFAOYSA-N 0 0 176.175 1.570 10 0 ADAERN Oc1ccccc1N[C@@H]1CC[C@@H]1O 585298909 573855846 /nfs/dbraw/zinc/85/58/46/573855846.db2.gz RHYLOLTZUBYJKJ-SCZZXKLOSA-N 0 0 179.219 1.327 10 0 ADAERN OC/C=C/[C@H]1CCSC1 224724425 573855849 /nfs/dbraw/zinc/85/58/49/573855849.db2.gz QUWVMCVCZUMNSX-HIXXPVPXSA-N 0 0 144.239 1.288 10 0 ADAERN CC(=O)[C@@H]1CC[C@]1(C)C(C)=O 238167172 573855861 /nfs/dbraw/zinc/85/58/61/573855861.db2.gz HTYSPNQBXXSLHM-DTWKUNHWSA-N 0 0 154.209 1.581 10 0 ADAERN Oc1cccc(N[C@@H]2CC[C@@H]2O)c1 585298778 573855888 /nfs/dbraw/zinc/85/58/88/573855888.db2.gz GSBBBSXOBQKKED-ZJUUUORDSA-N 0 0 179.219 1.327 10 0 ADAERN Cc1cc2c(c(C)c1N)NC(=O)CC2 238541809 573855904 /nfs/dbraw/zinc/85/59/04/573855904.db2.gz AWNLHBCBGXSAPE-UHFFFAOYSA-N 0 0 190.246 1.770 10 0 ADAERN COc1ccccc1N[C@@H]1CC[C@H]1O 585298852 573855905 /nfs/dbraw/zinc/85/59/05/573855905.db2.gz NGMNVFNQMICZJN-PSASIEDQSA-N 0 0 193.246 1.630 10 0 ADAERN C[C@]1(O)CCCSC1 84327375 573855910 /nfs/dbraw/zinc/85/59/10/573855910.db2.gz KXVRSNJZRNYSSV-LURJTMIESA-N 0 0 132.228 1.264 10 0 ADAERN C1CC[C@@H](C2=NC[C@H](C3CC3)O2)[NH2+]C1 258155765 573855912 /nfs/dbraw/zinc/85/59/12/573855912.db2.gz LLTWENNCYQFBST-VHSXEESVSA-N 0 0 194.278 1.336 10 0 ADAERN Cc1cc(F)c2cncn2c1 238542310 573855954 /nfs/dbraw/zinc/85/59/54/573855954.db2.gz NXQTZMRQDLQIIM-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN Cc1ccc(C2(O)COC2)c(C)c1 84333988 573856988 /nfs/dbraw/zinc/85/69/88/573856988.db2.gz HPNWOTSFCUFBTQ-UHFFFAOYSA-N 0 0 178.231 1.521 10 0 ADAERN CC(C)Cn1ccc(C=O)cc1=O 257890419 573855975 /nfs/dbraw/zinc/85/59/75/573855975.db2.gz NJNCQZKBRNXISD-UHFFFAOYSA-N 0 0 179.219 1.317 10 0 ADAERN CC(C)c1nccn1[C@H]1CC[C@@H]1O 585298882 573855982 /nfs/dbraw/zinc/85/59/82/573855982.db2.gz POQXSQGWLTXJEV-IUCAKERBSA-N 0 0 180.251 1.702 10 0 ADAERN Cn1cc(C(C)(C)C)c(=O)[nH]c1=S 238542333 573856000 /nfs/dbraw/zinc/85/60/00/573856000.db2.gz VIEQPTKOVXHRNS-UHFFFAOYSA-N 0 0 198.291 1.740 10 0 ADAERN C1CC[C@H](C2=NC[C@@H](C3CC3)O2)[NH2+]C1 258155773 573856009 /nfs/dbraw/zinc/85/60/09/573856009.db2.gz LLTWENNCYQFBST-ZJUUUORDSA-N 0 0 194.278 1.336 10 0 ADAERN CC(=O)c1cncc(O)c1C 238154520 573856015 /nfs/dbraw/zinc/85/60/15/573856015.db2.gz FAPSKZAEERRDGR-UHFFFAOYSA-N 0 0 151.165 1.298 10 0 ADAERN NC(=O)[C@@H]1CCC[C@H]2CCC[C@@H]21 238542298 573856016 /nfs/dbraw/zinc/85/60/16/573856016.db2.gz CXSDGHCNSZVOQF-HRDYMLBCSA-N 0 0 167.252 1.688 10 0 ADAERN CCCNc1cccc(N)c1C(N)=O 197065700 573856019 /nfs/dbraw/zinc/85/60/19/573856019.db2.gz DULMLMMIKRTZSY-UHFFFAOYSA-N 0 0 193.250 1.190 10 0 ADAERN Cc1ncc(-c2nnsc2N)s1 84362009 573856034 /nfs/dbraw/zinc/85/60/34/573856034.db2.gz JZQZPEVVULXGIS-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN CONCc1ccc(SC)c(O)c1 258157124 573856035 /nfs/dbraw/zinc/85/60/35/573856035.db2.gz PCRFZLVLRLGGAR-UHFFFAOYSA-N 0 0 199.275 1.765 10 0 ADAERN CC(C)Nc1nc(N)cc(Cl)n1 238166475 573856047 /nfs/dbraw/zinc/85/60/47/573856047.db2.gz VYMHITLNCNAHEM-UHFFFAOYSA-N 0 0 186.646 1.533 10 0 ADAERN C[C@]1(Cn2cn[nH]c2=S)CCCO1 87257001 573856050 /nfs/dbraw/zinc/85/60/50/573856050.db2.gz VGFGPVISJUQOPD-MRVPVSSYSA-N 0 0 199.279 1.510 10 0 ADAERN OCC/C=C\C[C@H]1CCCCO1 258156457 573856095 /nfs/dbraw/zinc/85/60/95/573856095.db2.gz KRIABBAMTWUNPX-SYBPUXJVSA-N 0 0 170.252 1.884 10 0 ADAERN CC(=O)[C@H]1C=C[C@](C)(O)CC1 238166398 573856173 /nfs/dbraw/zinc/85/61/73/573856173.db2.gz PLMRVYZOTDNMRT-IUCAKERBSA-N 0 0 154.209 1.293 10 0 ADAERN OCc1ccccc1N[C@H]1CC[C@@H]1O 585298898 573856178 /nfs/dbraw/zinc/85/61/78/573856178.db2.gz QMJZNMZOOAGBTD-QWRGUYRKSA-N 0 0 193.246 1.114 10 0 ADAERN CCC[NH+]1CC(O)(CCC)C1 84364024 573856180 /nfs/dbraw/zinc/85/61/80/573856180.db2.gz GNRBUOZWHVWIDB-UHFFFAOYSA-N 0 0 157.257 1.243 10 0 ADAERN Cc1ccc(N[C@@H]2CC[C@@H]2O)cc1O 585298993 573856185 /nfs/dbraw/zinc/85/61/85/573856185.db2.gz YINMUAYFNFVTSY-ZJUUUORDSA-N 0 0 193.246 1.636 10 0 ADAERN O[C@H]1CC[C@@H]1n1cc(Cl)cn1 585298762 573856117 /nfs/dbraw/zinc/85/61/17/573856117.db2.gz CWPAMRPXQDGYOT-BQBZGAKWSA-N 0 0 172.615 1.232 10 0 ADAERN CC(C)C[C@@H]1C=CNC([S-])=[NH+]1 238154165 573856122 /nfs/dbraw/zinc/85/61/22/573856122.db2.gz AIQHJYYANSDQJM-ZETCQYMHSA-N 0 0 170.281 1.393 10 0 ADAERN Fc1cccc(-c2ncccn2)n1 238543032 573856129 /nfs/dbraw/zinc/85/61/29/573856129.db2.gz DMXVLEBZOXGHLO-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN CC(C)SC(=O)c1cccc(N)n1 257890120 573856989 /nfs/dbraw/zinc/85/69/89/573856989.db2.gz IWUGDXMAGNLDKF-UHFFFAOYSA-N 0 0 196.275 1.946 10 0 ADAERN CCc1oc(N)nc1-c1ccc[nH]1 259210894 573856150 /nfs/dbraw/zinc/85/61/50/573856150.db2.gz QVKXRNKKRLYUIL-UHFFFAOYSA-N 0 0 177.207 1.814 10 0 ADAERN CC(C)Oc1cccc(O)c1CON 258155475 573856156 /nfs/dbraw/zinc/85/61/56/573856156.db2.gz UOHBDDZZFQEDDQ-UHFFFAOYSA-N 0 0 197.234 1.570 10 0 ADAERN Oc1cccc(N[C@@H]2CC[C@H]2O)c1 585298775 573856171 /nfs/dbraw/zinc/85/61/71/573856171.db2.gz GSBBBSXOBQKKED-NXEZZACHSA-N 0 0 179.219 1.327 10 0 ADAERN CCC1(O)CN(Cc2ccco2)C1 84360742 573856194 /nfs/dbraw/zinc/85/61/94/573856194.db2.gz ZQYJPOASQRYCFA-UHFFFAOYSA-N 0 0 181.235 1.236 10 0 ADAERN Cn1ccc([C@]2(O)CCCSC2)n1 84362078 573856965 /nfs/dbraw/zinc/85/69/65/573856965.db2.gz QYKADNIBCDODOT-VIFPVBQESA-N 0 0 198.291 1.135 10 0 ADAERN Nc1ccc([C@H]([NH3+])c2cccnc2)cc1 259213472 573856969 /nfs/dbraw/zinc/85/69/69/573856969.db2.gz GOJDRTGDDHNYGE-LBPRGKRZSA-N 0 0 199.257 1.712 10 0 ADAERN C=CCC[NH+]1CC([C@H](C)C(=O)[O-])C1 130108251 573856991 /nfs/dbraw/zinc/85/69/91/573856991.db2.gz WQESSJHGHOHKDL-QMMMGPOBSA-N 0 0 183.251 1.215 10 0 ADAERN Cc1cc(C)c(O)c(NC=O)c1 238544060 573857970 /nfs/dbraw/zinc/85/79/70/573857970.db2.gz DLHMOXZAGNFDKR-UHFFFAOYSA-N 0 0 165.192 1.577 10 0 ADAERN C[C@@H]1CCNc2cccnc2N1 87261225 573857971 /nfs/dbraw/zinc/85/79/71/573857971.db2.gz XDSVRWKNJMDTJN-SSDOTTSWSA-N 0 0 163.224 1.698 10 0 ADAERN Cc1c(O)cnc(C(F)F)c1N 238544367 573857992 /nfs/dbraw/zinc/85/79/92/573857992.db2.gz ZTBYNICSMQXCTA-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C=Cc1c(C=O)[nH]c(C=O)c1C 238544312 573857976 /nfs/dbraw/zinc/85/79/76/573857976.db2.gz BXHIKSLUPGVPDI-UHFFFAOYSA-N 0 0 163.176 1.591 10 0 ADAERN CCCCCCC(=O)c1cnn(C)n1 308456772 573857943 /nfs/dbraw/zinc/85/79/43/573857943.db2.gz FAHAJJCXCOEQGW-UHFFFAOYSA-N 0 0 195.266 1.968 10 0 ADAERN CCn1nc(C)c2c1NC[C@@H](C)CN2 87261519 573857771 /nfs/dbraw/zinc/85/77/71/573857771.db2.gz ZYEUHRABEFAZFM-ZETCQYMHSA-N 0 0 194.282 1.685 10 0 ADAERN CC(=O)c1cc2n(c1)CC=C2 238168035 573857794 /nfs/dbraw/zinc/85/77/94/573857794.db2.gz GRVDNCCCIPDDLV-UHFFFAOYSA-N 0 0 147.177 1.718 10 0 ADAERN CCOC(=O)[C@H](C)N[C@@H]1CC[C@@H]2C[C@@H]21 308456813 573857796 /nfs/dbraw/zinc/85/77/96/573857796.db2.gz FCNAJESAKKCHJT-QCLAVDOMSA-N 0 0 197.278 1.326 10 0 ADAERN CC(=O)[C@H]1C[C@H](C(C)C)C(=O)O1 238169718 573857804 /nfs/dbraw/zinc/85/78/04/573857804.db2.gz KNZZIMLLXZKXNH-HTQZYQBOSA-N 0 0 170.208 1.163 10 0 ADAERN Cc1cc(C)c(O)c(CCCO)c1 238543877 573857805 /nfs/dbraw/zinc/85/78/05/573857805.db2.gz AYWDAVPKZKJFEZ-UHFFFAOYSA-N 0 0 180.247 1.934 10 0 ADAERN COCC[C@@H]1CNc2cccnc2N1 87261902 573857808 /nfs/dbraw/zinc/85/78/08/573857808.db2.gz WCUNZBGZERVAIJ-MRVPVSSYSA-N 0 0 193.250 1.324 10 0 ADAERN Cc1c(O)cnc(C(F)F)c1C=O 238544168 573857813 /nfs/dbraw/zinc/85/78/13/573857813.db2.gz JEWABAAAKBYMOA-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CC[C@@H]1CNc2cccnc2N1C 87262279 573857826 /nfs/dbraw/zinc/85/78/26/573857826.db2.gz CPYXHXVJYIMWLL-MRVPVSSYSA-N 0 0 177.251 1.722 10 0 ADAERN Cc1cccc(CC2(O)COC2)c1 84333980 573857858 /nfs/dbraw/zinc/85/78/58/573857858.db2.gz ATIGDKXETWBCGJ-UHFFFAOYSA-N 0 0 178.231 1.299 10 0 ADAERN COc1cc(O)cc(C)c1[C@H](C)CO 258155633 573857859 /nfs/dbraw/zinc/85/78/59/573857859.db2.gz URVDBNYVMFPIEQ-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN Cc1c2c(n(C)c1C)CCC2=O 238543944 573857861 /nfs/dbraw/zinc/85/78/61/573857861.db2.gz CGPLTJMCOZEQRA-UHFFFAOYSA-N 0 0 163.220 1.771 10 0 ADAERN CC1(C)OC(=S)C(C)(C)C1=O 238168398 573857863 /nfs/dbraw/zinc/85/78/63/573857863.db2.gz XVJCVALTHCRFTK-UHFFFAOYSA-N 0 0 172.249 1.718 10 0 ADAERN Cc1cnccc1-c1nnc(N)s1 85425070 573857865 /nfs/dbraw/zinc/85/78/65/573857865.db2.gz XEXXJPPFAHUEIB-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC(C)(C)CC1=N[C@H]2C[NH2+]C[C@@H]2O1 257890389 573857870 /nfs/dbraw/zinc/85/78/70/573857870.db2.gz GLSKHZQUEDPKKM-YUMQZZPRSA-N 0 0 182.267 1.192 10 0 ADAERN CCC[C@@H]1CNc2c(C)nn(C)c2N1 87261465 573857881 /nfs/dbraw/zinc/85/78/81/573857881.db2.gz WVTOZCHIJFEVJH-MRVPVSSYSA-N 0 0 194.282 1.735 10 0 ADAERN CCC[C@@H](OC(C)=O)C(=O)OCC 308456944 573857885 /nfs/dbraw/zinc/85/78/85/573857885.db2.gz GHTFQBJCNBZPAY-MRVPVSSYSA-N 0 0 188.223 1.281 10 0 ADAERN CC(C)C[C@H]1CN=C([C@H]2CCC[NH2+]2)O1 258155734 573857903 /nfs/dbraw/zinc/85/79/03/573857903.db2.gz LLMZGWPXDSOXTM-VHSXEESVSA-N 0 0 196.294 1.582 10 0 ADAERN CC[C@H]1C[C@@](O)(C2CC2)CCO1 84375223 573859647 /nfs/dbraw/zinc/85/96/47/573859647.db2.gz AVIZTCCBWQTKGS-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1[nH]c(C2(CO)CC2)nc1C(C)C 258517247 573859470 /nfs/dbraw/zinc/85/94/70/573859470.db2.gz GSAZAVLMXNYSOI-UHFFFAOYSA-N 0 0 194.278 1.865 10 0 ADAERN CC(C)(C)CC1=N[C@@H]2C[NH2+]C[C@H]2O1 257890383 573859475 /nfs/dbraw/zinc/85/94/75/573859475.db2.gz GLSKHZQUEDPKKM-HTQZYQBOSA-N 0 0 182.267 1.192 10 0 ADAERN CC1(C)N[C@@H](c2ccccc2)NC1=O 238172762 573859478 /nfs/dbraw/zinc/85/94/78/573859478.db2.gz QUPFGOXAWDVTIV-VIFPVBQESA-N 0 0 190.246 1.183 10 0 ADAERN C=C=C(CCCCCCO)C(=O)OC 215450266 573859492 /nfs/dbraw/zinc/85/94/92/573859492.db2.gz PPYNWFAQKSUGRS-UHFFFAOYSA-N 0 0 198.262 1.814 10 0 ADAERN CC[C@H]1CNc2c(C)nn(CC)c2N1 87261206 573859987 /nfs/dbraw/zinc/85/99/87/573859987.db2.gz SGUDTORECGIDGW-QMMMGPOBSA-N 0 0 194.282 1.827 10 0 ADAERN CCCn1ncnc1[C@@](C)(O)CC 393565932 573859992 /nfs/dbraw/zinc/85/99/92/573859992.db2.gz KVLBLNIALQOPFV-VIFPVBQESA-N 0 0 183.255 1.306 10 0 ADAERN OC[C@@H](O)CCc1ccccc1F 257890299 573859996 /nfs/dbraw/zinc/85/99/96/573859996.db2.gz NGMWDOISSIIMAV-VIFPVBQESA-N 0 0 184.210 1.112 10 0 ADAERN Cc1cccc(C2(O)COC2)c1C 84333986 573860001 /nfs/dbraw/zinc/86/00/01/573860001.db2.gz PIGVTRPFTJODOG-UHFFFAOYSA-N 0 0 178.231 1.521 10 0 ADAERN Cc1cncc2[nH]c(C=O)cc12 109568225 573860005 /nfs/dbraw/zinc/86/00/05/573860005.db2.gz GSYWTTSOWPWTHT-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN Cc1c(C(F)F)cc(N)[nH]c1=O 238546404 573859368 /nfs/dbraw/zinc/85/93/68/573859368.db2.gz NRBANQZBMSLLMR-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC(C)[N@@H+]1C[C@@H](C(=O)[O-])CC12CC2 257890326 573860007 /nfs/dbraw/zinc/86/00/07/573860007.db2.gz NHDHJGCHNZPIEW-QMMMGPOBSA-N 0 0 183.251 1.334 10 0 ADAERN CCn1nc(C)c2c1N(C)CCCN2 87262006 573859373 /nfs/dbraw/zinc/85/93/73/573859373.db2.gz XJCWHSNCNLSJCJ-UHFFFAOYSA-N 0 0 194.282 1.463 10 0 ADAERN CCn1nc2c(c1C=O)CCCC2 257890449 573859374 /nfs/dbraw/zinc/85/93/74/573859374.db2.gz NKEWAQUCDZBVBE-UHFFFAOYSA-N 0 0 178.235 1.594 10 0 ADAERN c1cnc2c(c1)NC[C@H](C1CC1)N2 87262411 573859406 /nfs/dbraw/zinc/85/94/06/573859406.db2.gz HZDMBADZIMKBDC-SECBINFHSA-N 0 0 175.235 1.698 10 0 ADAERN CC(C)[C@@H]1N[C@@H](C(C)(C)C)OC1=O 238169354 573859432 /nfs/dbraw/zinc/85/94/32/573859432.db2.gz KXZKZQOZWQXLPD-IONNQARKSA-N 0 0 185.267 1.530 10 0 ADAERN COC(=O)c1noc2cc(C)sc12 259576120 573860011 /nfs/dbraw/zinc/86/00/11/573860011.db2.gz DRVUQGNYRUHCCP-UHFFFAOYSA-N 0 0 197.215 1.984 10 0 ADAERN Nc1ccc([C@@H]([NH3+])c2cccnc2)cc1 259213468 573859519 /nfs/dbraw/zinc/85/95/19/573859519.db2.gz GOJDRTGDDHNYGE-GFCCVEGCSA-N 0 0 199.257 1.712 10 0 ADAERN Cc1cc(CNO)c(C=O)cc1F 258155586 573859524 /nfs/dbraw/zinc/85/95/24/573859524.db2.gz UQSOFFNNJMAYLY-UHFFFAOYSA-N 0 0 183.182 1.425 10 0 ADAERN C[C@@H]1CNc2cccnc2NC1 87261495 573859531 /nfs/dbraw/zinc/85/95/31/573859531.db2.gz JKWWQESTOCNQOC-SSDOTTSWSA-N 0 0 163.224 1.555 10 0 ADAERN Cc1ccc2c(c1[C@@H](C)O)OCCO2 258158011 573859536 /nfs/dbraw/zinc/85/95/36/573859536.db2.gz UULTZODRXNIBSA-MRVPVSSYSA-N 0 0 194.230 1.820 10 0 ADAERN C[C@H](O)Cc1cnc([C@@H]2CCCO2)o1 257890610 573859538 /nfs/dbraw/zinc/85/95/38/573859538.db2.gz BBEWUTFCFJMQOW-CBAPKCEASA-N 0 0 197.234 1.449 10 0 ADAERN Cc1c(C(F)F)c(CO)c[nH]c1=O 238547429 573859551 /nfs/dbraw/zinc/85/95/51/573859551.db2.gz PAKVKBZYMFOQMW-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC1=CC[C@H](C)[C@@H]1O 197071702 573859564 /nfs/dbraw/zinc/85/95/64/573859564.db2.gz IRQKXYDZHRJRLF-NKWVEPMBSA-N 0 0 112.172 1.333 10 0 ADAERN c1ccc2c(c1)NC[C@@]1(CCOC1)N2 87262646 573859577 /nfs/dbraw/zinc/85/95/77/573859577.db2.gz OAVIBJJXIMNGIO-LLVKDONJSA-N 0 0 190.246 1.683 10 0 ADAERN Cc1cccc2c1cc(CO)n2C 257890044 573859583 /nfs/dbraw/zinc/85/95/83/573859583.db2.gz LBGZCUPSTSWXEG-UHFFFAOYSA-N 0 0 175.231 1.979 10 0 ADAERN Cc1nn(C)c2c1NC[C@@H](C1CC1)N2 87262430 573859594 /nfs/dbraw/zinc/85/95/94/573859594.db2.gz ZJQMIIOXAGYXEY-QMMMGPOBSA-N 0 0 192.266 1.345 10 0 ADAERN CCCSc1nc(=O)ccn1CC 308457123 573859599 /nfs/dbraw/zinc/85/95/99/573859599.db2.gz GJOCAGOMNAJLRM-UHFFFAOYSA-N 0 0 198.291 1.765 10 0 ADAERN CC[C@H]1CNc2c(C)nn(C)c2N1C 87262296 573859601 /nfs/dbraw/zinc/85/96/01/573859601.db2.gz XBCUUZIECNAGTC-QMMMGPOBSA-N 0 0 194.282 1.369 10 0 ADAERN COCOC(=O)COC1CCCC1 308457053 573859603 /nfs/dbraw/zinc/85/96/03/573859603.db2.gz GIXRTQYFXXBHMU-UHFFFAOYSA-N 0 0 188.223 1.093 10 0 ADAERN Fc1ccnc(-c2ccncn2)c1 238547120 573859604 /nfs/dbraw/zinc/85/96/04/573859604.db2.gz YVGWJKGYSSVDOK-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN O=C1CC[C@H](c2c(F)cccc2F)N1 238546803 573859610 /nfs/dbraw/zinc/85/96/10/573859610.db2.gz UKASGFAXZYEVLR-MRVPVSSYSA-N 0 0 197.184 1.916 10 0 ADAERN OCC1(c2ccccc2F)CC1 84330776 573859628 /nfs/dbraw/zinc/85/96/28/573859628.db2.gz YOTDHFKZTXREPR-UHFFFAOYSA-N 0 0 166.195 1.850 10 0 ADAERN OC1(C2CC2)CCC2(CC1)OCCO2 84375457 573859633 /nfs/dbraw/zinc/85/96/33/573859633.db2.gz AWTOZNODKGRNAC-UHFFFAOYSA-N 0 0 198.262 1.445 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@](C[NH3+])(CC(=O)[O-])C1 101265849 573859634 /nfs/dbraw/zinc/85/96/34/573859634.db2.gz RITSSYUURQCBAD-DOFRTFSJSA-N 0 0 199.294 1.862 10 0 ADAERN CC(=O)[C@@H]1C[C@@]1(C)C(C)=O 238169417 573859636 /nfs/dbraw/zinc/85/96/36/573859636.db2.gz IYKMEDJJKOMNJL-YUMQZZPRSA-N 0 0 140.182 1.191 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1C(F)(F)F 238168627 573859641 /nfs/dbraw/zinc/85/96/41/573859641.db2.gz HLRSCLZOPAQXLQ-WHFBIAKZSA-N 0 0 152.115 1.774 10 0 ADAERN [NH3+]C[C@H](F)CNc1ccc(F)cc1 257890392 573859657 /nfs/dbraw/zinc/85/96/57/573859657.db2.gz NIVBQPOETRMMDV-QMMMGPOBSA-N 0 0 186.205 1.534 10 0 ADAERN CCc1nn(C)c2c1NCCCN2C 87261995 573859658 /nfs/dbraw/zinc/85/96/58/573859658.db2.gz YZYFYEYSIWCDJC-UHFFFAOYSA-N 0 0 194.282 1.234 10 0 ADAERN COc1cc(F)c(CON)cc1C 258157982 573860020 /nfs/dbraw/zinc/86/00/20/573860020.db2.gz UTOHDZOBGVKHHG-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN Cc1cnc2c(c1)NCCCN2C 87262000 573859673 /nfs/dbraw/zinc/85/96/73/573859673.db2.gz ITXOMKFVMSDQRL-UHFFFAOYSA-N 0 0 177.251 1.642 10 0 ADAERN CCN1CCCNc2c(C)nn(C)c21 87262048 573859694 /nfs/dbraw/zinc/85/96/94/573859694.db2.gz ZPGUSJBVJXBXKR-UHFFFAOYSA-N 0 0 194.282 1.370 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)CCC1CCC1 689996168 573859706 /nfs/dbraw/zinc/85/97/06/573859706.db2.gz WVMWPXYSLHHMKZ-HBNTYKKESA-N 0 0 184.279 1.963 10 0 ADAERN Cn1cc(CO)c2cc(O)ccc21 257889958 573859715 /nfs/dbraw/zinc/85/97/15/573859715.db2.gz KZKLDXOFTWDMMZ-UHFFFAOYSA-N 0 0 177.203 1.376 10 0 ADAERN COC(=O)/C=C\Cc1ccccc1O 258156448 573859718 /nfs/dbraw/zinc/85/97/18/573859718.db2.gz KRGUYSPPLXOXEJ-YWEYNIOJSA-N 0 0 192.214 1.664 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccccn1 585298708 573859720 /nfs/dbraw/zinc/85/97/20/573859720.db2.gz ZNFXQTBYBQESCW-YUMQZZPRSA-N 0 0 164.208 1.017 10 0 ADAERN CCC[C@H]1CNc2c(C)nn(C)c2N1 87261466 573859747 /nfs/dbraw/zinc/85/97/47/573859747.db2.gz WVTOZCHIJFEVJH-QMMMGPOBSA-N 0 0 194.282 1.735 10 0 ADAERN Cc1cc(O)c(CON)cc1Cl 258155613 573859756 /nfs/dbraw/zinc/85/97/56/573859756.db2.gz URKHWDDDOICNFR-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN CCN1CCNc2cc(C)cnc21 87261756 573859780 /nfs/dbraw/zinc/85/97/80/573859780.db2.gz JKWZNCJAXARADJ-UHFFFAOYSA-N 0 0 177.251 1.642 10 0 ADAERN COc1cc(CF)nc(Cl)n1 257890348 573859797 /nfs/dbraw/zinc/85/97/97/573859797.db2.gz NHTLQFOUVRYTPJ-UHFFFAOYSA-N 0 0 176.578 1.608 10 0 ADAERN CC(C)[C@@H]1N[C@H](C(C)(C)C)OC1=O 238169620 573859805 /nfs/dbraw/zinc/85/98/05/573859805.db2.gz KXZKZQOZWQXLPD-CBAPKCEASA-N 0 0 185.267 1.530 10 0 ADAERN CC(C)(O)/C=C/[C@@H](O)c1ccco1 238167297 573859847 /nfs/dbraw/zinc/85/98/47/573859847.db2.gz INCSUNLGJKIKNA-HQZHTGGTSA-N 0 0 182.219 1.640 10 0 ADAERN CC(=O)[C@@H]1C[C@@]1(C)C(C)(C)O 238169399 573859855 /nfs/dbraw/zinc/85/98/55/573859855.db2.gz RFDGTRYDROMCQT-IONNQARKSA-N 0 0 156.225 1.373 10 0 ADAERN CC(=O)[C@@H]1COC=C1C 238167677 573859871 /nfs/dbraw/zinc/85/98/71/573859871.db2.gz YIQJYMUPFMXZAJ-SSDOTTSWSA-N 0 0 126.155 1.126 10 0 ADAERN Cc1cn(C)c(OC2CC2)n1 238548146 573859874 /nfs/dbraw/zinc/85/98/74/573859874.db2.gz IALBXHGRCFVUHJ-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN CCc1nn(C)c2c1NCC1(CC1)N2 87261338 573859883 /nfs/dbraw/zinc/85/98/83/573859883.db2.gz MBHOIYSLXZLWEU-UHFFFAOYSA-N 0 0 192.266 1.353 10 0 ADAERN C[C@H]1C[C@H](C)CN(c2nnc(N)o2)C1 235661737 573859889 /nfs/dbraw/zinc/85/98/89/573859889.db2.gz KSQZXOQBKMTEAU-BQBZGAKWSA-N 0 0 196.254 1.134 10 0 ADAERN CC(C)c1nc2c(s1)CNC2 84331494 573860031 /nfs/dbraw/zinc/86/00/31/573860031.db2.gz MQCLDGIKROEFPF-UHFFFAOYSA-N 0 0 168.265 1.870 10 0 ADAERN CC(C)=C[C@H](O)CC1(C)OCCO1 238169310 573859919 /nfs/dbraw/zinc/85/99/19/573859919.db2.gz JEHDTXIKKXKYHZ-VIFPVBQESA-N 0 0 186.251 1.467 10 0 ADAERN C/C=C/CN1CC(O)(C(C)C)C1 84376904 573859925 /nfs/dbraw/zinc/85/99/25/573859925.db2.gz NGJIUZOAIUOJBM-SNAWJCMRSA-N 0 0 169.268 1.265 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCCC[C@H]1C(=O)[O-] 238167691 573859927 /nfs/dbraw/zinc/85/99/27/573859927.db2.gz UTMPJIJNYRJXCO-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)OC[C@]1(C)CCCC1=O 238169164 573859934 /nfs/dbraw/zinc/85/99/34/573859934.db2.gz MSIOPXZWFFEUSD-VIFPVBQESA-N 0 0 170.208 1.309 10 0 ADAERN CCOc1cc(Cl)ncc1C=O 257890364 573859947 /nfs/dbraw/zinc/85/99/47/573859947.db2.gz NIKVZVFDXFYTOK-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN OC1(C2CC2)CN(C/C=C/Cl)C1 84377274 573859958 /nfs/dbraw/zinc/85/99/58/573859958.db2.gz LUPDAIJWSADSRF-DAFODLJHSA-N 0 0 187.670 1.196 10 0 ADAERN C=C/C=C(\CCO)C(C)(C)O 238172787 573859960 /nfs/dbraw/zinc/85/99/60/573859960.db2.gz LUMIYFZPNAUXFZ-VMPITWQZSA-N 0 0 156.225 1.252 10 0 ADAERN CC(C)OCC[C@@H](C)[C@H](C)O 43658751 573859965 /nfs/dbraw/zinc/85/99/65/573859965.db2.gz BMRYGGUCTVQJCJ-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN CC(C)=C[C@@]1(C)OC[C@@H](CO)O1 238167631 573859969 /nfs/dbraw/zinc/85/99/69/573859969.db2.gz NSQUNUNJEMZGBE-BDAKNGLRSA-N 0 0 172.224 1.077 10 0 ADAERN OCCC(F)(F)c1cccnc1 258974297 573859981 /nfs/dbraw/zinc/85/99/81/573859981.db2.gz IQVMVKSBCWKEAT-UHFFFAOYSA-N 0 0 173.162 1.556 10 0 ADAERN CCN1C[C@@H]([C@@H](C)O)c2ccccc21 257889935 573860101 /nfs/dbraw/zinc/86/01/01/573860101.db2.gz KZDHGZVPNUZAMV-KOLCDFICSA-N 0 0 191.274 1.991 10 0 ADAERN O=c1cc(-c2ccccc2)[nH]c(=O)o1 101269142 573860121 /nfs/dbraw/zinc/86/01/21/573860121.db2.gz WEVLFOSLWADBBZ-UHFFFAOYSA-N 0 0 189.170 1.407 10 0 ADAERN CC[C@]1(C)CNc2c(C)nn(C)c2N1 87261709 573860123 /nfs/dbraw/zinc/86/01/23/573860123.db2.gz WEANNOPFWXOPLG-SNVBAGLBSA-N 0 0 194.282 1.735 10 0 ADAERN Cc1nn(C)c2c1NCCN2C(C)C 87261269 573860808 /nfs/dbraw/zinc/86/08/08/573860808.db2.gz JWVIXBMOEWHQGO-UHFFFAOYSA-N 0 0 194.282 1.369 10 0 ADAERN C[C@@H](O)Cc1cnc([C@H]2CCCO2)o1 257890613 573860158 /nfs/dbraw/zinc/86/01/58/573860158.db2.gz BBEWUTFCFJMQOW-VXNVDRBHSA-N 0 0 197.234 1.449 10 0 ADAERN C[C@@H]1CC[C@@](O)(C2CC2)C1 84375294 573860169 /nfs/dbraw/zinc/86/01/69/573860169.db2.gz SBNJDEGHBXXLJC-APPZFPTMSA-N 0 0 140.226 1.948 10 0 ADAERN O=C1CCC(O)(C2CC2)CC1 84375459 573860179 /nfs/dbraw/zinc/86/01/79/573860179.db2.gz XFOYBCNTWPOAFQ-UHFFFAOYSA-N 0 0 154.209 1.271 10 0 ADAERN C[C@H]1C[C@H]1CN(C)C(=O)N1CCCC1 127416236 573860188 /nfs/dbraw/zinc/86/01/88/573860188.db2.gz NQGUEVPENCYOFX-UWVGGRQHSA-N 0 0 196.294 1.790 10 0 ADAERN CCOC(=O)[C@H](C)N[C@@H]1CC[C@H]2C[C@H]21 308456811 573860196 /nfs/dbraw/zinc/86/01/96/573860196.db2.gz FCNAJESAKKCHJT-AXTSPUMRSA-N 0 0 197.278 1.326 10 0 ADAERN CC[C@@](O)(COC)C1CC1 84375282 573860204 /nfs/dbraw/zinc/86/02/04/573860204.db2.gz NOELTANZDHBEGT-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN CCn1nc(C)c2c1N[C@@H](C)CCN2 87261253 573860205 /nfs/dbraw/zinc/86/02/05/573860205.db2.gz RTLYCULMKKCQPS-ZETCQYMHSA-N 0 0 194.282 1.827 10 0 ADAERN OC1(Cc2ccc(F)cc2)COC1 84336652 573860208 /nfs/dbraw/zinc/86/02/08/573860208.db2.gz RGXQZPDKIDNSNF-UHFFFAOYSA-N 0 0 182.194 1.130 10 0 ADAERN CC(C)[C@@H]1C[C@](O)(C2CC2)CCO1 84375236 573860209 /nfs/dbraw/zinc/86/02/09/573860209.db2.gz WNXIZUOJQKUIQQ-QWRGUYRKSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1cnccc1-c1ccc(N)nn1 85425033 573860215 /nfs/dbraw/zinc/86/02/15/573860215.db2.gz QHXGRUXSINPKDJ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccccn1 585298707 573860226 /nfs/dbraw/zinc/86/02/26/573860226.db2.gz ZNFXQTBYBQESCW-SFYZADRCSA-N 0 0 164.208 1.017 10 0 ADAERN Cc1cn(C)c2c(c1=O)CCCC2 238548260 573860257 /nfs/dbraw/zinc/86/02/57/573860257.db2.gz RFGNZOQCBSVGFQ-UHFFFAOYSA-N 0 0 177.247 1.573 10 0 ADAERN O=Cc1nnc(C2CCSCC2)o1 258157519 573860268 /nfs/dbraw/zinc/86/02/68/573860268.db2.gz SLXRRIXNTPTYHP-UHFFFAOYSA-N 0 0 198.247 1.493 10 0 ADAERN Cc1nn(C)c2c1NC[C@H](C(C)C)N2 87260750 573860321 /nfs/dbraw/zinc/86/03/21/573860321.db2.gz TWFJPXQSHWLJGY-MRVPVSSYSA-N 0 0 194.282 1.591 10 0 ADAERN CC(C)=C[C@H](O)C(=O)[C@@H]1[C@@H]2C=CC[C@@H]21 238169052 573860327 /nfs/dbraw/zinc/86/03/27/573860327.db2.gz VLHXLFJRKCYBII-VPOLOUISSA-N 0 0 192.258 1.705 10 0 ADAERN CCCN1CCNc2c(C)nn(C)c21 87261323 573860332 /nfs/dbraw/zinc/86/03/32/573860332.db2.gz MCGRKNYFBJNFSG-UHFFFAOYSA-N 0 0 194.282 1.370 10 0 ADAERN CC(=O)c1cc2n[nH]cc2cn1 238168837 573860334 /nfs/dbraw/zinc/86/03/34/573860334.db2.gz VLMJXUZMDGIBFR-UHFFFAOYSA-N 0 0 161.164 1.161 10 0 ADAERN CC(=O)C1=C(O)C[C@@H](C(C)C)C1 238169697 573860339 /nfs/dbraw/zinc/86/03/39/573860339.db2.gz XTJOBPYMNBWTGL-DTWKUNHWSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ccc2c(c1)[C@H]1NC(=O)C[C@H]1C2 238548190 573860353 /nfs/dbraw/zinc/86/03/53/573860353.db2.gz FNFXVOOKQAZQFT-SKDRFNHKSA-N 0 0 187.242 1.728 10 0 ADAERN O=C1C[C@H](c2cccc(Cl)n2)CN1 238547534 573860360 /nfs/dbraw/zinc/86/03/60/573860360.db2.gz GBGXWHCYBWYPHA-LURJTMIESA-N 0 0 196.637 1.339 10 0 ADAERN CC(C)Nc1ncc2nccnc2n1 238169586 573860378 /nfs/dbraw/zinc/86/03/78/573860378.db2.gz CFFJUXFHQVTLNC-UHFFFAOYSA-N 0 0 189.222 1.240 10 0 ADAERN CCC1(O)CCSCC1 84328022 573860379 /nfs/dbraw/zinc/86/03/79/573860379.db2.gz MQUGLRINFQDYCR-UHFFFAOYSA-N 0 0 146.255 1.655 10 0 ADAERN CC[C@H]1C[C@](O)(C2CC2)CCO1 84375221 573860384 /nfs/dbraw/zinc/86/03/84/573860384.db2.gz AVIZTCCBWQTKGS-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@@]1(C)CNc2c(C)nn(C)c2N1 87261710 573860393 /nfs/dbraw/zinc/86/03/93/573860393.db2.gz WEANNOPFWXOPLG-JTQLQIEISA-N 0 0 194.282 1.735 10 0 ADAERN Cc1cnn2c(N)cc(Cl)nc12 238547441 573860433 /nfs/dbraw/zinc/86/04/33/573860433.db2.gz PMLLNKMXAOODFB-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN C1CC[C@@H](C2=NC[C@@H](C3CC3)O2)[NH2+]C1 258155761 573860437 /nfs/dbraw/zinc/86/04/37/573860437.db2.gz LLTWENNCYQFBST-UWVGGRQHSA-N 0 0 194.278 1.336 10 0 ADAERN c1cnc2c(c1)NC[C@]1(CCOC1)N2 87262657 573860440 /nfs/dbraw/zinc/86/04/40/573860440.db2.gz CPZKLOCYNQRFCK-JTQLQIEISA-N 0 0 191.234 1.078 10 0 ADAERN Cc1c(C=O)c(C(F)F)c[nH]c1=O 238546873 573860441 /nfs/dbraw/zinc/86/04/41/573860441.db2.gz CSRMUFNFMCBEQC-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN Cc1cn(C)c(OC2CCC2)n1 238548170 573860468 /nfs/dbraw/zinc/86/04/68/573860468.db2.gz KEGNLYWZIWWISJ-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCCC[C@@H]1CC(=O)[O-] 238167669 573860485 /nfs/dbraw/zinc/86/04/85/573860485.db2.gz WPQHJGNZEKAXTA-KOLCDFICSA-N 0 0 199.294 1.875 10 0 ADAERN CCc1nn(C)c2c1NC[C@H](C)N2C 87261726 573860486 /nfs/dbraw/zinc/86/04/86/573860486.db2.gz ONLRUUIAVZAKSV-ZETCQYMHSA-N 0 0 194.282 1.233 10 0 ADAERN O[C@@H]1CC[C@@H]2N=C(C3CC3)O[C@@H]2C1 258156236 573860505 /nfs/dbraw/zinc/86/05/05/573860505.db2.gz YEXVPZMOFHFEDK-HRDYMLBCSA-N 0 0 181.235 1.107 10 0 ADAERN CC(C)(C)c1cc(N)n(CCCO)n1 215450112 573860511 /nfs/dbraw/zinc/86/05/11/573860511.db2.gz XEWUFELYNNIKSI-UHFFFAOYSA-N 0 0 197.282 1.145 10 0 ADAERN C[C@H]1CNc2cccnc2NC1 87261496 573860526 /nfs/dbraw/zinc/86/05/26/573860526.db2.gz JKWWQESTOCNQOC-ZETCQYMHSA-N 0 0 163.224 1.555 10 0 ADAERN C=CCC[NH+]1CC([C@@H](C)C(=O)[O-])C1 130108457 573860538 /nfs/dbraw/zinc/86/05/38/573860538.db2.gz WQESSJHGHOHKDL-MRVPVSSYSA-N 0 0 183.251 1.215 10 0 ADAERN COC[C@@H](CO)C1CCC1 258157097 573860569 /nfs/dbraw/zinc/86/05/69/573860569.db2.gz HNQVDTUAPZZMMA-MRVPVSSYSA-N 0 0 144.214 1.041 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCCC[C@H]1CC(=O)[O-] 238167712 573860581 /nfs/dbraw/zinc/86/05/81/573860581.db2.gz WPQHJGNZEKAXTA-ONGXEEELSA-N 0 0 199.294 1.875 10 0 ADAERN CCCC[C@@H](C)N1CNC2(CC2)C1=O 122933825 573860583 /nfs/dbraw/zinc/86/05/83/573860583.db2.gz ASGXPIPYBKSRJU-SECBINFHSA-N 0 0 196.294 1.487 10 0 ADAERN CC[C@@H]1CNc2c(ncnc2OC)N1 87261187 573860586 /nfs/dbraw/zinc/86/05/86/573860586.db2.gz FFWLDUACVWUEIM-ZCFIWIBFSA-N 0 0 194.238 1.101 10 0 ADAERN COc1cc([C@H](C)O)cc(C)c1O 258157949 573860588 /nfs/dbraw/zinc/86/05/88/573860588.db2.gz USSBMMKTKOOMHA-ZETCQYMHSA-N 0 0 182.219 1.763 10 0 ADAERN c1cnc2c(c1)NC[C@@H](C1CC1)N2 87262410 573860597 /nfs/dbraw/zinc/86/05/97/573860597.db2.gz HZDMBADZIMKBDC-VIFPVBQESA-N 0 0 175.235 1.698 10 0 ADAERN COc1cc(F)cc(F)c1CCO 258155522 573860614 /nfs/dbraw/zinc/86/06/14/573860614.db2.gz UPSSCOQDECSIIX-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN Cc1ccc([C@H]2CNC2=O)cc1 238547034 573860616 /nfs/dbraw/zinc/86/06/16/573860616.db2.gz KOOJCAWIGYHGQN-SECBINFHSA-N 0 0 161.204 1.208 10 0 ADAERN CC[C@@H]1CNc2c(C)nn(C)c2N1C 87262295 573860642 /nfs/dbraw/zinc/86/06/42/573860642.db2.gz XBCUUZIECNAGTC-MRVPVSSYSA-N 0 0 194.282 1.369 10 0 ADAERN CC1=C(C(F)F)C(=O)CNC1=O 238547601 573860691 /nfs/dbraw/zinc/86/06/91/573860691.db2.gz MJRWCSFWOSDXAE-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN CCCc1nc2c(Cl)ncnc2[nH]1 79558617 573860699 /nfs/dbraw/zinc/86/06/99/573860699.db2.gz YDFLFAFRMMFBQT-UHFFFAOYSA-N 0 0 196.641 1.959 10 0 ADAERN Cc1nnc(-c2ccc(C=O)o2)s1 238546545 573860703 /nfs/dbraw/zinc/86/07/03/573860703.db2.gz XOOAKPNRBQLDBT-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN [NH3+]Cc1ccc2c(c1Cl)OCCO2 258157398 573860719 /nfs/dbraw/zinc/86/07/19/573860719.db2.gz PFRKJWLATQAOTH-UHFFFAOYSA-N 0 0 199.637 1.570 10 0 ADAERN CCc1nn(C)c2c1NCC[C@H](C)N2 87261214 573860729 /nfs/dbraw/zinc/86/07/29/573860729.db2.gz FIGWZWSPMWGNJG-ZETCQYMHSA-N 0 0 194.282 1.599 10 0 ADAERN CC(C)C1(O)CN(c2ccccn2)C1 84376504 573860735 /nfs/dbraw/zinc/86/07/35/573860735.db2.gz FXXLKRQMDSLAPP-UHFFFAOYSA-N 0 0 192.262 1.289 10 0 ADAERN CCOC(=O)CC[C@H]1CCS1 259576092 573860752 /nfs/dbraw/zinc/86/07/52/573860752.db2.gz JRVJVSXVKOCQPY-ZETCQYMHSA-N 0 0 174.265 1.835 10 0 ADAERN Cc1cc(C)cc(CC(=O)CO)c1 238548291 573860761 /nfs/dbraw/zinc/86/07/61/573860761.db2.gz MOBQFZFCEGLYSS-UHFFFAOYSA-N 0 0 178.231 1.407 10 0 ADAERN CC(=O)[C@@H]1C[C@@H](CNC#N)C1(C)C 238168391 573860767 /nfs/dbraw/zinc/86/07/67/573860767.db2.gz FKLCEWMAYJGWQJ-IUCAKERBSA-N 0 0 180.251 1.308 10 0 ADAERN Cc1cnnc2cccc(N)c12 238547724 573860806 /nfs/dbraw/zinc/86/08/06/573860806.db2.gz KMNAULVZECKOQL-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN CCc1nn(C)c2c1NCC(C)(C)N2 87261539 573860792 /nfs/dbraw/zinc/86/07/92/573860792.db2.gz HVCSHTARIOIGDC-UHFFFAOYSA-N 0 0 194.282 1.599 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCC[C@H]1CC(=O)[O-] 238167861 573860795 /nfs/dbraw/zinc/86/07/95/573860795.db2.gz ABMKJFSINGJOBC-WPRPVWTQSA-N 0 0 185.267 1.485 10 0 ADAERN c1nsnc1N1CCCCCC1 76500883 573860800 /nfs/dbraw/zinc/86/08/00/573860800.db2.gz ZBRRKYJPTJJLPY-UHFFFAOYSA-N 0 0 183.280 1.919 10 0 ADAERN Nc1c[nH]nc1-c1cc(F)cc(F)c1 87283131 573862607 /nfs/dbraw/zinc/86/26/07/573862607.db2.gz ZOMWLECIVLQCPL-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN COC(=O)c1c(N)noc1C(C)C 257891235 573863372 /nfs/dbraw/zinc/86/33/72/573863372.db2.gz NNBRLXQZSSBITE-UHFFFAOYSA-N 0 0 184.195 1.167 10 0 ADAERN CC(C)OC(=O)C1=C[C@H](O)CC1 238171312 573863382 /nfs/dbraw/zinc/86/33/82/573863382.db2.gz WTGRIRCWCJAEPD-MRVPVSSYSA-N 0 0 170.208 1.019 10 0 ADAERN c1coc(CNc2cnsn2)c1 76500905 573863390 /nfs/dbraw/zinc/86/33/90/573863390.db2.gz HOTPUKUBODFZMH-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN Cc1nc(N)c(CO)cc1C(F)F 238547342 573863391 /nfs/dbraw/zinc/86/33/91/573863391.db2.gz SLFGCZUTCNLCRA-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cc1nc(N)c(C(F)F)cc1CO 238546671 573863403 /nfs/dbraw/zinc/86/34/03/573863403.db2.gz ICALTKGYOIWGKQ-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN OCC1(c2cccc(O)c2)CC(F)C1 257890647 573863405 /nfs/dbraw/zinc/86/34/05/573863405.db2.gz WYYZAQMYZPBDAG-UHFFFAOYSA-N 0 0 196.221 1.754 10 0 ADAERN C[C@H]1CC[C@](O)(C2CC2)C1 84375293 573863415 /nfs/dbraw/zinc/86/34/15/573863415.db2.gz SBNJDEGHBXXLJC-IONNQARKSA-N 0 0 140.226 1.948 10 0 ADAERN CC(C)N(N)C(=S)NC(C)(C)C 238170898 573863420 /nfs/dbraw/zinc/86/34/20/573863420.db2.gz UNHHQWKSPBACER-UHFFFAOYSA-N 0 0 189.328 1.244 10 0 ADAERN Cc1ccc([C@H]2NCCCO2)o1 238549372 573863425 /nfs/dbraw/zinc/86/34/25/573863425.db2.gz AVGWWTOECGAFMX-VIFPVBQESA-N 0 0 167.208 1.597 10 0 ADAERN CC(C)OC(=O)C1=C[C@@H](O)CCC1 238171289 573863439 /nfs/dbraw/zinc/86/34/39/573863439.db2.gz OLNZPZCOOLPZRU-VIFPVBQESA-N 0 0 184.235 1.409 10 0 ADAERN CC(C)[C@@H]1C=C[C@@](C)(CO)[C@@H](CO)C1 238170627 573864081 /nfs/dbraw/zinc/86/40/81/573864081.db2.gz KRUVDELENUYYHA-UTUOFQBUSA-N 0 0 198.306 1.826 10 0 ADAERN Cc1nc(N)c(N)cc1OC1CC1 238547881 573862374 /nfs/dbraw/zinc/86/23/74/573862374.db2.gz NIQPZNYJEUFZPF-UHFFFAOYSA-N 0 0 179.223 1.096 10 0 ADAERN CC(C)OC(=O)C1=C[C@@H](O)CC1 238171259 573862383 /nfs/dbraw/zinc/86/23/83/573862383.db2.gz WTGRIRCWCJAEPD-QMMMGPOBSA-N 0 0 170.208 1.019 10 0 ADAERN NC(=O)[C@@](F)(Cl)C(F)(F)Cl 238547232 573862391 /nfs/dbraw/zinc/86/23/91/573862391.db2.gz UWQYRMCTHBJKCL-REOHCLBHSA-N 0 0 195.955 1.208 10 0 ADAERN Cc1onc2nc(C(C)C)[nH]c(=O)c12 238170940 573862395 /nfs/dbraw/zinc/86/23/95/573862395.db2.gz UAQFHIGCCKSDJJ-UHFFFAOYSA-N 0 0 193.206 1.343 10 0 ADAERN COC(=O)NCC1CCCCC1 79605603 573862413 /nfs/dbraw/zinc/86/24/13/573862413.db2.gz RDZZSLRUHLWLAV-UHFFFAOYSA-N 0 0 171.240 1.923 10 0 ADAERN O=Cc1ccc(F)cc1CC1(O)CC1 258165747 573862440 /nfs/dbraw/zinc/86/24/40/573862440.db2.gz VKJCLDZUZQAWCX-UHFFFAOYSA-N 0 0 194.205 1.706 10 0 ADAERN C[C@]1(c2ccc(F)cc2)CCC(=O)N1 257890792 573862446 /nfs/dbraw/zinc/86/24/46/573862446.db2.gz XBNHLQUJTVOYHU-LLVKDONJSA-N 0 0 193.221 1.951 10 0 ADAERN CC(C)(C)[C@H](N)C(=O)c1ccccn1 238170383 573862461 /nfs/dbraw/zinc/86/24/61/573862461.db2.gz JIDWDNUKOBKSHK-SNVBAGLBSA-N 0 0 192.262 1.638 10 0 ADAERN CC(C)[C@@H]1C[C@@](O)(C2CC2)CCO1 84375238 573862476 /nfs/dbraw/zinc/86/24/76/573862476.db2.gz WNXIZUOJQKUIQQ-WDEREUQCSA-N 0 0 184.279 1.963 10 0 ADAERN COc1ccc(F)c(NC#N)c1 87287159 573862491 /nfs/dbraw/zinc/86/24/91/573862491.db2.gz HGUXUGBUBWRLNL-UHFFFAOYSA-N 0 0 166.155 1.727 10 0 ADAERN COCCCOC(=O)C1CC(C)C1 308457928 573862500 /nfs/dbraw/zinc/86/25/00/573862500.db2.gz GPOPPUZCHARJBG-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN CC(C)=C[C@@H]1C(=O)CCC[C@H]1O 238171860 573862517 /nfs/dbraw/zinc/86/25/17/573862517.db2.gz RXRIGKSMKLEONL-DTWKUNHWSA-N 0 0 168.236 1.683 10 0 ADAERN CC(C)[C@@H]1OC(=O)CC(C)(C)[C@H]1O 238170067 573862523 /nfs/dbraw/zinc/86/25/23/573862523.db2.gz PZHRCOXBVRXMEC-IUCAKERBSA-N 0 0 186.251 1.345 10 0 ADAERN Cc1c(O)c(C(F)F)c[nH]c1=O 238547111 573862524 /nfs/dbraw/zinc/86/25/24/573862524.db2.gz DGPXKBJEMKZBRB-UHFFFAOYSA-N 0 0 175.134 1.739 10 0 ADAERN CC(=O)OCc1cc(N)ccc1O 238171347 573862533 /nfs/dbraw/zinc/86/25/33/573862533.db2.gz KEEHYMWDIYMIAE-UHFFFAOYSA-N 0 0 181.191 1.038 10 0 ADAERN CC[C@@](O)(COC)C(C)(C)C 84375280 573862538 /nfs/dbraw/zinc/86/25/38/573862538.db2.gz MQEDKYVFAJZNCZ-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CC[C@@H](NCc1cc[nH]c1)C(=O)OC 308457524 573862566 /nfs/dbraw/zinc/86/25/66/573862566.db2.gz FHIUGQNQDOYQPD-SECBINFHSA-N 0 0 196.250 1.056 10 0 ADAERN CC(C)(C)[C@@]1(O)CCCOC1 84375253 573862595 /nfs/dbraw/zinc/86/25/95/573862595.db2.gz CYCGVSNQHBXDKA-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1ccc([C@]2(C)CC(=O)N2)cc1F 87285347 573862600 /nfs/dbraw/zinc/86/26/00/573862600.db2.gz WBEYNLUYRXWWOV-NSHDSACASA-N 0 0 193.221 1.869 10 0 ADAERN c1nsnc1N1CCCC1 76500876 573862614 /nfs/dbraw/zinc/86/26/14/573862614.db2.gz XZOZESSSBGXWKI-UHFFFAOYSA-N 0 0 155.226 1.138 10 0 ADAERN CC(C)[C@H]1C[C@H](C(C)C)C(=O)N1 238169752 573862656 /nfs/dbraw/zinc/86/26/56/573862656.db2.gz GRKPDKLDAJHDRO-RKDXNWHRSA-N 0 0 169.268 1.803 10 0 ADAERN Cc1nc(N)c(C(F)F)cc1C=O 238546555 573862669 /nfs/dbraw/zinc/86/26/69/573862669.db2.gz VMPZOOFMDJJRGY-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN O=C(Cc1cncnc1)c1ccccn1 308772580 573862703 /nfs/dbraw/zinc/86/27/03/573862703.db2.gz WCBNBAUQYOFCCK-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN CC(C)=C[C@@H]1C(=O)CCC[C@@H]1O 238171424 573862716 /nfs/dbraw/zinc/86/27/16/573862716.db2.gz RXRIGKSMKLEONL-IUCAKERBSA-N 0 0 168.236 1.683 10 0 ADAERN NOCCc1cccc(Cl)c1O 258165611 573862733 /nfs/dbraw/zinc/86/27/33/573862733.db2.gz VIOFKCYBYADABR-UHFFFAOYSA-N 0 0 187.626 1.478 10 0 ADAERN CC(C)[C@@H]1OC[C@@H](O)[C@@H]1C 238171596 573862776 /nfs/dbraw/zinc/86/27/76/573862776.db2.gz NKGZULQEZZNFNO-RNJXMRFFSA-N 0 0 144.214 1.038 10 0 ADAERN C[C@H]1C[C@@](O)(C2CC2)CCO1 84375215 573862786 /nfs/dbraw/zinc/86/27/86/573862786.db2.gz VGMTWHBCRQXGIX-IONNQARKSA-N 0 0 156.225 1.326 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)C2)c(O)c1 238546833 573862790 /nfs/dbraw/zinc/86/27/90/573862790.db2.gz DFAZBURPZLDLAE-MRVPVSSYSA-N 0 0 191.230 1.304 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])c1ccccn1)C(=O)[O-] 259215844 573862795 /nfs/dbraw/zinc/86/27/95/573862795.db2.gz GQLVDYDBQXZGCG-JGVFFNPUSA-N 0 0 194.234 1.192 10 0 ADAERN CC(C)N(N)Cc1cccc(O)c1 238171012 573862829 /nfs/dbraw/zinc/86/28/29/573862829.db2.gz KHNHJPPONSFHIP-UHFFFAOYSA-N 0 0 180.251 1.476 10 0 ADAERN Cc1nnc2ccc(Cl)n2n1 238548028 573862863 /nfs/dbraw/zinc/86/28/63/573862863.db2.gz HHOZMSDCCPVUAS-UHFFFAOYSA-N 0 0 168.587 1.086 10 0 ADAERN Cc1cscc1-c1noc(N)n1 87287764 573862865 /nfs/dbraw/zinc/86/28/65/573862865.db2.gz RBIQIGRZQMXITL-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN C[C@H](F)c1cc(CCON)ccc1O 258165569 573862909 /nfs/dbraw/zinc/86/29/09/573862909.db2.gz PRXRSGPDHKTYKG-ZETCQYMHSA-N 0 0 199.225 1.856 10 0 ADAERN CC(=O)C[C@H](C)n1cnc(C2CC2)n1 308457911 573862918 /nfs/dbraw/zinc/86/29/18/573862918.db2.gz DPVIIKZLQLGSPA-ZETCQYMHSA-N 0 0 193.250 1.696 10 0 ADAERN Cc1[nH]c(=O)ccc1CC(C)C 238171484 573862927 /nfs/dbraw/zinc/86/29/27/573862927.db2.gz ROEQKEQKDAGOBR-UHFFFAOYSA-N 0 0 165.236 1.882 10 0 ADAERN O=C1CC[C@@H](c2c(F)cccc2F)N1 238546409 573862935 /nfs/dbraw/zinc/86/29/35/573862935.db2.gz UKASGFAXZYEVLR-QMMMGPOBSA-N 0 0 197.184 1.916 10 0 ADAERN C=C[C@H](C)[NH+]1CC([C@@H](C)C(=O)[O-])C1 130128015 573862950 /nfs/dbraw/zinc/86/29/50/573862950.db2.gz QOKROUWXNGVNHS-JGVFFNPUSA-N 0 0 183.251 1.213 10 0 ADAERN Cc1nnc(-c2ccc[nH]2)nc1C 238546906 573862963 /nfs/dbraw/zinc/86/29/63/573862963.db2.gz KUHAYTQHOPZQMO-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN CC(C)=C[C@H]1CC=C(CO)C(=O)O1 238170170 573862973 /nfs/dbraw/zinc/86/29/73/573862973.db2.gz OEPSCUYAPHDBAH-SECBINFHSA-N 0 0 182.219 1.187 10 0 ADAERN CC(C)[C@H]1C[C@](O)(C2CC2)CCO1 84375237 573862975 /nfs/dbraw/zinc/86/29/75/573862975.db2.gz WNXIZUOJQKUIQQ-MNOVXSKESA-N 0 0 184.279 1.963 10 0 ADAERN O[C@]1(C2CC2)CCCOCC1 84375394 573863047 /nfs/dbraw/zinc/86/30/47/573863047.db2.gz BFCVGQMTNSDUII-SECBINFHSA-N 0 0 156.225 1.328 10 0 ADAERN CCC1([C@H](N)c2noc(C)n2)CCC1 686133059 573863057 /nfs/dbraw/zinc/86/30/57/573863057.db2.gz NKMHJWDVRCMFNW-MRVPVSSYSA-N 0 0 195.266 1.958 10 0 ADAERN CC(=O)OCc1cc(C)ns1 238170941 573863058 /nfs/dbraw/zinc/86/30/58/573863058.db2.gz PMKVEETZGVWUOC-UHFFFAOYSA-N 0 0 171.221 1.515 10 0 ADAERN CN[C@H](C)c1nncc(C(C)(C)C)n1 257890749 573863060 /nfs/dbraw/zinc/86/30/60/573863060.db2.gz XAYPZPWVSVTXAS-SSDOTTSWSA-N 0 0 194.282 1.450 10 0 ADAERN CC(C)C[C@@]1(O)C(=O)CC1(C)C 238171649 573863131 /nfs/dbraw/zinc/86/31/31/573863131.db2.gz AFMJJKVFPUKDOF-SNVBAGLBSA-N 0 0 170.252 1.763 10 0 ADAERN COc1ccc(F)c2[nH]c(=O)ccc12 87287295 573863137 /nfs/dbraw/zinc/86/31/37/573863137.db2.gz XKRAJXKCOOTWBW-UHFFFAOYSA-N 0 0 193.177 1.676 10 0 ADAERN CCCCCNOC 79619596 573863149 /nfs/dbraw/zinc/86/31/49/573863149.db2.gz HBYKHQFAYSWHBC-UHFFFAOYSA-N 0 0 117.192 1.328 10 0 ADAERN CC(=O)OCc1cc(C)c(C)o1 238170699 573863159 /nfs/dbraw/zinc/86/31/59/573863159.db2.gz LRJGCIUITVEOHQ-UHFFFAOYSA-N 0 0 168.192 1.960 10 0 ADAERN C[C@H]1[C@H](CO)C(C)(C)CC[C@H]1O 256275997 573863172 /nfs/dbraw/zinc/86/31/72/573863172.db2.gz HBPPCESXPLWVER-XHNCKOQMSA-N 0 0 172.268 1.412 10 0 ADAERN CC(C)=C[C@H]1C/C(=C\CO)CO1 238169963 573863186 /nfs/dbraw/zinc/86/31/86/573863186.db2.gz ZFLWHYWHRNYTDK-RZCNENHTSA-N 0 0 168.236 1.660 10 0 ADAERN CN1CCCC[C@@H]1c1cc(C[NH3+])[nH]n1 259215540 573863196 /nfs/dbraw/zinc/86/31/96/573863196.db2.gz LLMNCSKVWQIXTI-SNVBAGLBSA-N 0 0 194.282 1.025 10 0 ADAERN C[C@H](CO)c1c(F)cccc1N(C)C 258165715 573863221 /nfs/dbraw/zinc/86/32/21/573863221.db2.gz VJYLDDFHYZSNBQ-MRVPVSSYSA-N 0 0 197.253 1.988 10 0 ADAERN CC(C)Cc1cc(C(N)=S)ccn1 238170159 573863246 /nfs/dbraw/zinc/86/32/46/573863246.db2.gz LKWLAKOVJWJPFT-UHFFFAOYSA-N 0 0 194.303 1.914 10 0 ADAERN CC(=O)c1noc2c1[C@H](F)CC2 258519131 573863248 /nfs/dbraw/zinc/86/32/48/573863248.db2.gz MBPFTZASRNMOLS-RXMQYKEDSA-N 0 0 169.155 1.834 10 0 ADAERN CN(N)C1CCC(C)(C)CC1 87287685 573863255 /nfs/dbraw/zinc/86/32/55/573863255.db2.gz MZHSBNAXXAHKDT-UHFFFAOYSA-N 0 0 156.273 1.761 10 0 ADAERN CC(=O)[C@@H]1C[C@]2(C)CCC[C@@]12O 238171910 573863259 /nfs/dbraw/zinc/86/32/59/573863259.db2.gz SQIJAFHXHYYWLI-LPEHRKFASA-N 0 0 168.236 1.517 10 0 ADAERN CC(C)C[C@@]1(C)N=NC(=O)N1C(N)=O 238170734 573863270 /nfs/dbraw/zinc/86/32/70/573863270.db2.gz HVTUWIJNQHFCID-QMMMGPOBSA-N 0 0 198.226 1.715 10 0 ADAERN CC(C)[C@@H]1OC(=O)N[C@]2(O)CCC[C@@H]12 238170375 573863273 /nfs/dbraw/zinc/86/32/73/573863273.db2.gz BUHWCOZNERYPNJ-NRPADANISA-N 0 0 199.250 1.240 10 0 ADAERN Cc1nc(N)c(C(F)F)cc1O 238546765 573863282 /nfs/dbraw/zinc/86/32/82/573863282.db2.gz FOVIZZBKFSQRKG-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CN1N=CC(=O)C1c1ccccc1F 257890715 573863362 /nfs/dbraw/zinc/86/33/62/573863362.db2.gz XAIZJBWNHHBNII-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN COC[C@@H](O)c1ccc(Cl)cn1 87285778 573863304 /nfs/dbraw/zinc/86/33/04/573863304.db2.gz IFGIQTJYIRQNHF-MRVPVSSYSA-N 0 0 187.626 1.415 10 0 ADAERN CC1(C)OCC[C@](C)(CO)CO1 238171772 573863305 /nfs/dbraw/zinc/86/33/05/573863305.db2.gz PLIYXCVZCINQPQ-SECBINFHSA-N 0 0 174.240 1.158 10 0 ADAERN Fc1ccnc(-c2ncccn2)c1 238547185 573863316 /nfs/dbraw/zinc/86/33/16/573863316.db2.gz MJEXKBMXEKDWDO-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN CC(=O)C(=O)Nc1sccc1C 258975455 573864112 /nfs/dbraw/zinc/86/41/12/573864112.db2.gz PFMVMNKGXNKPIY-UHFFFAOYSA-N 0 0 183.232 1.584 10 0 ADAERN CCC1([C@@H](N)c2noc(C)n2)CCC1 686133060 573863476 /nfs/dbraw/zinc/86/34/76/573863476.db2.gz NKMHJWDVRCMFNW-QMMMGPOBSA-N 0 0 195.266 1.958 10 0 ADAERN COC(=O)N(C)CCOC(C)C 131514011 573863480 /nfs/dbraw/zinc/86/34/80/573863480.db2.gz SUBGHGGBVLERDV-UHFFFAOYSA-N 0 0 175.228 1.110 10 0 ADAERN CC(C)Cc1ccc(NCNN)cc1 258974004 573863518 /nfs/dbraw/zinc/86/35/18/573863518.db2.gz BSUNDXOVTADGTO-UHFFFAOYSA-N 0 0 193.294 1.718 10 0 ADAERN CC(C)C[C@@]1(C)C(N)=NN=C1Cl 238170561 573863520 /nfs/dbraw/zinc/86/35/20/573863520.db2.gz BKYKBXVMBIBGEO-MRVPVSSYSA-N 0 0 187.674 1.962 10 0 ADAERN COC(=O)C(F)(F)C[C@@H]1CCOC1 257890634 573863529 /nfs/dbraw/zinc/86/35/29/573863529.db2.gz WYPAHPHEHNEYRR-LURJTMIESA-N 0 0 194.177 1.221 10 0 ADAERN OCC1C=CSC1=S 716266253 573863541 /nfs/dbraw/zinc/86/35/41/573863541.db2.gz JABKSPOKXIAGBD-UHFFFAOYSA-N 0 0 146.236 1.529 10 0 ADAERN Nc1cc(C2CCCC2)c(N)nn1 258519112 573863544 /nfs/dbraw/zinc/86/35/44/573863544.db2.gz GEJAHZFHBDYEQT-UHFFFAOYSA-N 0 0 178.239 1.299 10 0 ADAERN CC1(C)C[C@](O)(C2CC2)CCO1 84375242 573863555 /nfs/dbraw/zinc/86/35/55/573863555.db2.gz HZKRNGJVWOBOAI-JTQLQIEISA-N 0 0 170.252 1.717 10 0 ADAERN CC(C)C1(O)CN(CC(F)(F)F)C1 84376942 573863570 /nfs/dbraw/zinc/86/35/70/573863570.db2.gz XXLCTLHRHHGTGH-UHFFFAOYSA-N 0 0 197.200 1.251 10 0 ADAERN O[C@@H](c1cn2ccccc2n1)C1CC1 84375454 573863641 /nfs/dbraw/zinc/86/36/41/573863641.db2.gz VXWOOYGJUZKOAM-LLVKDONJSA-N 0 0 188.230 1.778 10 0 ADAERN CC(=O)[C@@H]1C[C@]2(C)CC[C@@]1(C)O2 238171948 573863653 /nfs/dbraw/zinc/86/36/53/573863653.db2.gz AKQHLPCWLPGPNJ-LPEHRKFASA-N 0 0 168.236 1.923 10 0 ADAERN Cc1ccc2nc(C(C)(C)O)nn2c1 259576661 573863659 /nfs/dbraw/zinc/86/36/59/573863659.db2.gz UAGOHJUTFHXERX-UHFFFAOYSA-N 0 0 191.234 1.265 10 0 ADAERN CC1=NC(=O)NC1c1ccccc1O 257890827 573863664 /nfs/dbraw/zinc/86/36/64/573863664.db2.gz XBWYMJIAQQZNGV-UHFFFAOYSA-N 0 0 190.202 1.796 10 0 ADAERN CC(=O)[C@@H]1C[C@]1(C)C(C)=O 238171674 573863674 /nfs/dbraw/zinc/86/36/74/573863674.db2.gz IYKMEDJJKOMNJL-JGVFFNPUSA-N 0 0 140.182 1.191 10 0 ADAERN Cc1nnc(-c2ccc[nH]2)s1 238546945 573863688 /nfs/dbraw/zinc/86/36/88/573863688.db2.gz ODFSAWKYLKQQSM-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN CC(C)(O)C(=O)[C@@H]1CC1(C)C 238171926 573863697 /nfs/dbraw/zinc/86/36/97/573863697.db2.gz HBXIRIQINLMZRM-LURJTMIESA-N 0 0 156.225 1.373 10 0 ADAERN CC(C)[C@@H]1OC[C@]2(C)CC(=O)[C@@H]12 238171831 573863734 /nfs/dbraw/zinc/86/37/34/573863734.db2.gz MUFVNZSXTZTATR-GUBZILKMSA-N 0 0 168.236 1.637 10 0 ADAERN CC(C)[C@@H]1OC(=O)C=C([O-])[C@@H]1C 238169999 573863755 /nfs/dbraw/zinc/86/37/55/573863755.db2.gz PWEYSYNYQWNPLW-RCOVLWMOSA-N 0 0 170.208 1.163 10 0 ADAERN COCCOCC[C@H](O)c1ccc[nH]1 308458179 573863768 /nfs/dbraw/zinc/86/37/68/573863768.db2.gz FIQNGNAGNMWEKS-JTQLQIEISA-N 0 0 199.250 1.101 10 0 ADAERN CC1(C)N[C@@H](c2ccco2)NC1=S 238172862 573863776 /nfs/dbraw/zinc/86/37/76/573863776.db2.gz XTHOUVUJNWRFAA-ZETCQYMHSA-N 0 0 196.275 1.577 10 0 ADAERN C=CC(=O)Nc1cc(OC)ccc1F 87286992 573863778 /nfs/dbraw/zinc/86/37/78/573863778.db2.gz DZBACWFYYDHVMS-UHFFFAOYSA-N 0 0 195.193 1.959 10 0 ADAERN CC1(C)C[C@@](O)(C2CC2)CCO1 84375243 573863782 /nfs/dbraw/zinc/86/37/82/573863782.db2.gz HZKRNGJVWOBOAI-SNVBAGLBSA-N 0 0 170.252 1.717 10 0 ADAERN Fc1cc2[nH]cccc-2n1 238546725 573863794 /nfs/dbraw/zinc/86/37/94/573863794.db2.gz HARCLHZFTRRWLT-UHFFFAOYSA-N 0 0 136.129 1.702 10 0 ADAERN C#CCCC[NH+]1CC([C@H](C)C(=O)[O-])C1 130140914 573864127 /nfs/dbraw/zinc/86/41/27/573864127.db2.gz YDTDBIOXTYNINL-VIFPVBQESA-N 0 0 195.262 1.052 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)C2)cc1O 238546935 573863806 /nfs/dbraw/zinc/86/38/06/573863806.db2.gz JMOVRIGEISTFHA-SECBINFHSA-N 0 0 191.230 1.304 10 0 ADAERN CC(C)(C)OC(=O)N1CC(=O)[C@H]2C[C@H]21 238171497 573863818 /nfs/dbraw/zinc/86/38/18/573863818.db2.gz DPBUFAQYADWYEG-NKWVEPMBSA-N 0 0 197.234 1.195 10 0 ADAERN CC1([NH2+]C/C=C\C(=O)[O-])CCCCC1 308457641 573863838 /nfs/dbraw/zinc/86/38/38/573863838.db2.gz YBBLNLYEXPZYFN-WAYWQWQTSA-N 0 0 197.278 1.940 10 0 ADAERN OC1(Cc2ccc(Cl)cc2)COC1 84362934 573863851 /nfs/dbraw/zinc/86/38/51/573863851.db2.gz TYZLZCLDRGUVRJ-UHFFFAOYSA-N 0 0 198.649 1.644 10 0 ADAERN COCc1cc(C2(O)CC2)ccc1F 258165607 573863895 /nfs/dbraw/zinc/86/38/95/573863895.db2.gz VILPFRTUGAZWNG-UHFFFAOYSA-N 0 0 196.221 1.954 10 0 ADAERN C=C[C@@H](C)[NH+]1CC([C@@H](C)C(=O)[O-])C1 130128221 573863899 /nfs/dbraw/zinc/86/38/99/573863899.db2.gz QOKROUWXNGVNHS-HTQZYQBOSA-N 0 0 183.251 1.213 10 0 ADAERN OC[C@@H]1C/C1=C/c1ccco1 393566307 573863905 /nfs/dbraw/zinc/86/39/05/573863905.db2.gz DXWDVFUKMRJXRD-TVSKSKRASA-N 0 0 150.177 1.675 10 0 ADAERN CC(=O)c1nncc(CC(C)C)n1 257891143 573863933 /nfs/dbraw/zinc/86/39/33/573863933.db2.gz NKJHKWDXRIPLLS-UHFFFAOYSA-N 0 0 179.223 1.273 10 0 ADAERN Cn1ccc(C2(O)CCSCC2)n1 84362072 573863957 /nfs/dbraw/zinc/86/39/57/573863957.db2.gz ZUFYYLXIRDCERB-UHFFFAOYSA-N 0 0 198.291 1.135 10 0 ADAERN CC(C)c1nc2ncccc2c(=O)[nH]1 238170820 573863961 /nfs/dbraw/zinc/86/39/61/573863961.db2.gz AUIKQFFQVPPSJU-UHFFFAOYSA-N 0 0 189.218 1.442 10 0 ADAERN CC(=O)c1noc2c1[C@@H](F)CC2 258519136 573863965 /nfs/dbraw/zinc/86/39/65/573863965.db2.gz MBPFTZASRNMOLS-YFKPBYRVSA-N 0 0 169.155 1.834 10 0 ADAERN O=C1NC[C@H](C2CCCCCC2)N1 257891168 573863969 /nfs/dbraw/zinc/86/39/69/573863969.db2.gz NKVVNFHUCLRDKP-SECBINFHSA-N 0 0 182.267 1.638 10 0 ADAERN CN1c2ccc(N)cc2NCC1(C)C 259215547 573863972 /nfs/dbraw/zinc/86/39/72/573863972.db2.gz LLNIGPXCCCBYTI-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN CC1(C)OCC[C@@](C)(CO)CO1 238171531 573863984 /nfs/dbraw/zinc/86/39/84/573863984.db2.gz PLIYXCVZCINQPQ-VIFPVBQESA-N 0 0 174.240 1.158 10 0 ADAERN C#CCCC[NH+]1CC([C@@H](C)C(=O)[O-])C1 130141134 573864009 /nfs/dbraw/zinc/86/40/09/573864009.db2.gz YDTDBIOXTYNINL-SECBINFHSA-N 0 0 195.262 1.052 10 0 ADAERN C[C@@H](F)Cc1cccc(CON)c1 258165727 573864051 /nfs/dbraw/zinc/86/40/51/573864051.db2.gz VJYOYHGVYYNOBX-MRVPVSSYSA-N 0 0 183.226 1.977 10 0 ADAERN Cc1ccc2noc(C=O)c2c1 258519085 573864075 /nfs/dbraw/zinc/86/40/75/573864075.db2.gz MBDZFNPSGFNCJQ-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CC(=O)[C@]1(C)O[C@H]1CC(C)C 238163135 573867523 /nfs/dbraw/zinc/86/75/23/573867523.db2.gz VERRHZKNOULORZ-IUCAKERBSA-N 0 0 156.225 1.779 10 0 ADAERN Cc1nc(N)cc(C(F)F)c1CO 238549266 573867818 /nfs/dbraw/zinc/86/78/18/573867818.db2.gz BQINIMKXABHKFI-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cn1ccc(=O)c2cccc(O)c21 238548895 573867539 /nfs/dbraw/zinc/86/75/39/573867539.db2.gz KRRCJYPFIPHHTE-UHFFFAOYSA-N 0 0 175.187 1.244 10 0 ADAERN O[C@@]1(c2ccco2)CCCSC1 84344804 573867545 /nfs/dbraw/zinc/86/75/45/573867545.db2.gz DQQAEMWYSMKSKP-VIFPVBQESA-N 0 0 184.260 1.994 10 0 ADAERN Cc1ccc2c(c1)[C@H]1NC(=O)C[C@@H]1C2 238548545 573867575 /nfs/dbraw/zinc/86/75/75/573867575.db2.gz FNFXVOOKQAZQFT-CABZTGNLSA-N 0 0 187.242 1.728 10 0 ADAERN Cc1ccc2c(c1)C[C@@](O)(CO)CC2 257891677 573867580 /nfs/dbraw/zinc/86/75/80/573867580.db2.gz XERQJJGKLIUKHZ-GFCCVEGCSA-N 0 0 192.258 1.207 10 0 ADAERN C[C@@H](CO)[C@H]1CNc2ccccc21 257891704 573868500 /nfs/dbraw/zinc/86/85/00/573868500.db2.gz LGEZPAJFJKMGFQ-WCBMZHEXSA-N 0 0 177.247 1.824 10 0 ADAERN CC(=O)CC[C@H]1O[C@H]1C(C)C 238172158 573868509 /nfs/dbraw/zinc/86/85/09/573868509.db2.gz VFIYEHSGMVQCPP-BDAKNGLRSA-N 0 0 156.225 1.779 10 0 ADAERN Cc1ccn2cncc2c1F 238540413 573868511 /nfs/dbraw/zinc/86/85/11/573868511.db2.gz YHFJLZGTMMTKBF-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN COc1ccncc1[C@H](O)[C@@H](C)OC 308459300 573868517 /nfs/dbraw/zinc/86/85/17/573868517.db2.gz FDNZQUMXRYYLIM-GMSGAONNSA-N 0 0 197.234 1.159 10 0 ADAERN CC(C)=C[C@@H](O)CC1(C)OCCO1 238162790 573868887 /nfs/dbraw/zinc/86/88/87/573868887.db2.gz JEHDTXIKKXKYHZ-SECBINFHSA-N 0 0 186.251 1.467 10 0 ADAERN Cc1cscc1-c1n[nH]c(CO)n1 87289198 573869094 /nfs/dbraw/zinc/86/90/94/573869094.db2.gz YGLXKZFDENQRPW-UHFFFAOYSA-N 0 0 195.247 1.334 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]2NC(=O)C[C@@H]2O1 238162434 573868973 /nfs/dbraw/zinc/86/89/73/573868973.db2.gz OOWNZNCSUHVUDE-CSMHCCOUSA-N 0 0 183.251 1.079 10 0 ADAERN C[C@H](O)/C=C\I 101441572 573868977 /nfs/dbraw/zinc/86/89/77/573868977.db2.gz SQKUATTXTJVQKE-SWOZAWMQSA-N 0 0 198.003 1.316 10 0 ADAERN C[C@@H](CO)[C@@H]1CNc2ccccc21 257891708 573868980 /nfs/dbraw/zinc/86/89/80/573868980.db2.gz LGEZPAJFJKMGFQ-WPRPVWTQSA-N 0 0 177.247 1.824 10 0 ADAERN Cc1ccc2c(c1)C[C@](O)(CO)CC2 257891681 573867471 /nfs/dbraw/zinc/86/74/71/573867471.db2.gz XERQJJGKLIUKHZ-LBPRGKRZSA-N 0 0 192.258 1.207 10 0 ADAERN COC(=O)[C@H](O)c1cc(C)ccc1F 84379100 573867473 /nfs/dbraw/zinc/86/74/73/573867473.db2.gz DZSMXETUKKWWGJ-SECBINFHSA-N 0 0 198.193 1.341 10 0 ADAERN Cc1ccc(N(C)CCCO)o1 258975410 573867474 /nfs/dbraw/zinc/86/74/74/573867474.db2.gz KPELXXLJRGHMIV-UHFFFAOYSA-N 0 0 169.224 1.407 10 0 ADAERN COCc1ncc(Br)o1 257891403 573867480 /nfs/dbraw/zinc/86/74/80/573867480.db2.gz MJLSTXRGJSEJSG-UHFFFAOYSA-N 0 0 192.012 1.584 10 0 ADAERN NC(=O)[C@@]12CCCC[C@H]1CCC2=O 238548999 573867502 /nfs/dbraw/zinc/86/75/02/573867502.db2.gz VRFUPCIHSGGHMK-XVKPBYJWSA-N 0 0 181.235 1.011 10 0 ADAERN CC(C)(C[NH2+]C1CCC1)CC(=O)[O-] 258974808 573868997 /nfs/dbraw/zinc/86/89/97/573868997.db2.gz XKRFTHZKUALWMU-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN CCC1(C(=O)NC(C)(C)CCO)CC1 393653060 573867416 /nfs/dbraw/zinc/86/74/16/573867416.db2.gz BACRKWRCVMEHBJ-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN Cc1cn(C[C@@H]2CCCCC2=O)cn1 238548859 573867431 /nfs/dbraw/zinc/86/74/31/573867431.db2.gz IQUFLNJLVDHETI-JTQLQIEISA-N 0 0 192.262 1.951 10 0 ADAERN CC(C)Cc1nc2c(s1)CNC2 84343602 573867438 /nfs/dbraw/zinc/86/74/38/573867438.db2.gz XNOGJWUDFDQUKB-UHFFFAOYSA-N 0 0 182.292 1.945 10 0 ADAERN COc1ccc(F)c2nc(N)ccc12 87287298 573867439 /nfs/dbraw/zinc/86/74/39/573867439.db2.gz QLKIPSQTEIMGFO-UHFFFAOYSA-N 0 0 192.193 1.965 10 0 ADAERN CC(=O)c1oc(=O)sc1C 238161731 573867446 /nfs/dbraw/zinc/86/74/46/573867446.db2.gz ARKIDHLGCRSFSS-UHFFFAOYSA-N 0 0 158.178 1.212 10 0 ADAERN COC1([C@H](NN)c2ccc[nH]2)CCC1 308459045 573867447 /nfs/dbraw/zinc/86/74/47/573867447.db2.gz FPZPCTGYBUNMJQ-SECBINFHSA-N 0 0 195.266 1.088 10 0 ADAERN CC(=O)[C@@H]1CCC=C2C=CCO[C@H]21 238162542 573867608 /nfs/dbraw/zinc/86/76/08/573867608.db2.gz SSEIHYKNSREOHI-WDEREUQCSA-N 0 0 178.231 1.867 10 0 ADAERN CC(C)c1cccc(=O)c(O)c1N 238161565 573867617 /nfs/dbraw/zinc/86/76/17/573867617.db2.gz JXAJBACYLNEHOV-UHFFFAOYSA-N 0 0 179.219 1.458 10 0 ADAERN CC(C)CNC=S 101377226 573867624 /nfs/dbraw/zinc/86/76/24/573867624.db2.gz AKNYWGZHAGFHFL-UHFFFAOYSA-N 0 0 117.217 1.189 10 0 ADAERN Cc1cccc2c1COCC2=O 238549233 573867627 /nfs/dbraw/zinc/86/76/27/573867627.db2.gz CMVQWGGLYQTHLK-UHFFFAOYSA-N 0 0 162.188 1.708 10 0 ADAERN Nc1nc(-c2ccc(Cl)cn2)no1 87285588 573867632 /nfs/dbraw/zinc/86/76/32/573867632.db2.gz OUNZHWMSYJZSDC-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN CC(C)CN(N)C1CCCC1 87286937 573867656 /nfs/dbraw/zinc/86/76/56/573867656.db2.gz YSQSPULHCZLCSK-UHFFFAOYSA-N 0 0 156.273 1.761 10 0 ADAERN CC(C)[C@@H]1C[C@H](O)CCS1 238162583 573867664 /nfs/dbraw/zinc/86/76/64/573867664.db2.gz AMZVUFNPQOSRKM-SFYZADRCSA-N 0 0 160.282 1.899 10 0 ADAERN COc1nc(C2CCC2)c(N)cc1N 257889631 573867675 /nfs/dbraw/zinc/86/76/75/573867675.db2.gz WVHBBQJXIXPSIF-UHFFFAOYSA-N 0 0 193.250 1.522 10 0 ADAERN CCCCCC[C@@H](O)CNOCC 308459318 573870832 /nfs/dbraw/zinc/87/08/32/573870832.db2.gz GYGCVUSUBRLTTP-SNVBAGLBSA-N 0 0 189.299 1.859 10 0 ADAERN C[C@@H]1[C@@H](O)CCC(C)(C)[C@@H]1CO 205772695 573867696 /nfs/dbraw/zinc/86/76/96/573867696.db2.gz HBPPCESXPLWVER-YIZRAAEISA-N 0 0 172.268 1.412 10 0 ADAERN C[C@]12CCCC[C@]1(O)CC[C@@H]2CO 211162978 573867729 /nfs/dbraw/zinc/86/77/29/573867729.db2.gz RJDYWUBOAJHWDO-MXWKQRLJSA-N 0 0 184.279 1.700 10 0 ADAERN CN(O)CCc1ccccc1O 258519167 573867753 /nfs/dbraw/zinc/86/77/53/573867753.db2.gz MCDXFGUBOTVXJK-UHFFFAOYSA-N 0 0 167.208 1.256 10 0 ADAERN CC[C@@H]([NH2+]C)[C@@H](C)CC(=O)[O-] 259215026 573867755 /nfs/dbraw/zinc/86/77/55/573867755.db2.gz FXALQHFWUKUVMX-NKWVEPMBSA-N 0 0 159.229 1.095 10 0 ADAERN C[C@H]([NH3+])C(=O)c1ccc(Cl)c([O-])c1 214997939 573867761 /nfs/dbraw/zinc/86/77/61/573867761.db2.gz OAZRQDPBMABAHK-YFKPBYRVSA-N 0 0 199.637 1.576 10 0 ADAERN CCC(=O)N(C)C(=O)c1ccccc1 145872202 573867806 /nfs/dbraw/zinc/86/78/06/573867806.db2.gz IOTVZZNYJRYPLM-UHFFFAOYSA-N 0 0 191.230 1.695 10 0 ADAERN CC(C)NC1=CCc2cccnc21 238161553 573867846 /nfs/dbraw/zinc/86/78/46/573867846.db2.gz UNSKUHQUISXFLB-UHFFFAOYSA-N 0 0 174.247 1.977 10 0 ADAERN Cn1nc(CO)c2c(F)cccc21 238540731 573867851 /nfs/dbraw/zinc/86/78/51/573867851.db2.gz CDCMERYTZQOBQW-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN c1cncc(Nc2cn[nH]c2)c1 238540821 573867858 /nfs/dbraw/zinc/86/78/58/573867858.db2.gz NLPGLFHDGZRFTK-UHFFFAOYSA-N 0 0 160.180 1.548 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]2NC(=O)[C@@H]2C1 238162162 573867873 /nfs/dbraw/zinc/86/78/73/573867873.db2.gz ZOKJCUNRLMAPQB-RNJXMRFFSA-N 0 0 167.252 1.557 10 0 ADAERN CCSCc1cc(N)n[nH]1 257891364 573867880 /nfs/dbraw/zinc/86/78/80/573867880.db2.gz JBSXFUOPMKXKLC-UHFFFAOYSA-N 0 0 157.242 1.245 10 0 ADAERN C[C@@H]1COc2cc(CO)ccc2N1 258439699 573867914 /nfs/dbraw/zinc/86/79/14/573867914.db2.gz GKJYDNDMEHHFFI-SSDOTTSWSA-N 0 0 179.219 1.372 10 0 ADAERN Cc1cc(O)c(C(=O)CN)c(Cl)c1 214998329 573867928 /nfs/dbraw/zinc/86/79/28/573867928.db2.gz JZEFLSQTKGFGLK-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN O[C@]1(c2ccco2)CCCSC1 84344809 573867931 /nfs/dbraw/zinc/86/79/31/573867931.db2.gz DQQAEMWYSMKSKP-SECBINFHSA-N 0 0 184.260 1.994 10 0 ADAERN Cc1ccc2c(c1)[C@@H]1CC(=O)N[C@@H]1C2 238548770 573867960 /nfs/dbraw/zinc/86/79/60/573867960.db2.gz SYNCSWWFCALLAO-WDEREUQCSA-N 0 0 187.242 1.523 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]2NC(=O)[C@@H]2C1 238162532 573867969 /nfs/dbraw/zinc/86/79/69/573867969.db2.gz ZOKJCUNRLMAPQB-XLPZGREQSA-N 0 0 167.252 1.557 10 0 ADAERN NC(=O)[C@@]12CCCC[C@@H]1CCC2=O 238548947 573868002 /nfs/dbraw/zinc/86/80/02/573868002.db2.gz VRFUPCIHSGGHMK-XCBNKYQSSA-N 0 0 181.235 1.011 10 0 ADAERN Cc1cc2c(cc1N)C(C)(C)OC2=O 238540871 573868033 /nfs/dbraw/zinc/86/80/33/573868033.db2.gz IKRZZOAARMPXLJ-UHFFFAOYSA-N 0 0 191.230 1.983 10 0 ADAERN Cc1ccc(O)c(C(=O)CN)c1Cl 214998403 573868050 /nfs/dbraw/zinc/86/80/50/573868050.db2.gz KWYCZCRJMCYQDG-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN CC(C)Oc1cnc(N(C)C)nc1 238162837 573868076 /nfs/dbraw/zinc/86/80/76/573868076.db2.gz XNZFCXMSOJOWGK-UHFFFAOYSA-N 0 0 181.239 1.330 10 0 ADAERN OC1(Cc2cccc(Cl)c2)COC1 84362937 573868091 /nfs/dbraw/zinc/86/80/91/573868091.db2.gz DOMVLZWVTYHLDQ-UHFFFAOYSA-N 0 0 198.649 1.644 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1ccc(Cl)c([O-])c1 214997986 573870848 /nfs/dbraw/zinc/87/08/48/573870848.db2.gz OAZRQDPBMABAHK-RXMQYKEDSA-N 0 0 199.637 1.576 10 0 ADAERN O=c1[nH]cc([C@H]2CO2)cc1Cl 238550835 573870904 /nfs/dbraw/zinc/87/09/04/573870904.db2.gz NYDWULYGZXZEKS-ZCFIWIBFSA-N 0 0 171.583 1.100 10 0 ADAERN CC(=O)[C@@H]1CCC(C)(C)[C@H](O)C1 238162066 573868138 /nfs/dbraw/zinc/86/81/38/573868138.db2.gz OUJYSNMLCKLIIK-RKDXNWHRSA-N 0 0 170.252 1.763 10 0 ADAERN CN1c2cc(O)ccc2NCC12CC2 258439650 573868142 /nfs/dbraw/zinc/86/81/42/573868142.db2.gz GJLOYKVZJJZHRT-UHFFFAOYSA-N 0 0 190.246 1.787 10 0 ADAERN c1ccc(-c2ccc3nccn3n2)nc1 258975205 573868145 /nfs/dbraw/zinc/86/81/45/573868145.db2.gz DMGPCABYNIFAGM-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN O=C1C[C@H](C2CCC2)CO1 258438745 573868155 /nfs/dbraw/zinc/86/81/55/573868155.db2.gz DVFFRODPDGUVAV-ZETCQYMHSA-N 0 0 140.182 1.350 10 0 ADAERN Cc1ccn2nc(CO)cc2c1 238540849 573868181 /nfs/dbraw/zinc/86/81/81/573868181.db2.gz HOTUHWUXBONIIM-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN CC(C)Oc1cnc(F)c(N)c1 238162758 573868202 /nfs/dbraw/zinc/86/82/02/573868202.db2.gz OHPFBOPCTXLTFX-UHFFFAOYSA-N 0 0 170.187 1.590 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N(C)C[C@H](C)CO 688742749 573868226 /nfs/dbraw/zinc/86/82/26/573868226.db2.gz DZAYRBMMIKOQLY-IVZWLZJFSA-N 0 0 199.294 1.119 10 0 ADAERN NC(=O)[C@]1(Cl)CC=C(Cl)CC1 238548325 573868259 /nfs/dbraw/zinc/86/82/59/573868259.db2.gz ZFRCZBYYTSYNJL-ZETCQYMHSA-N 0 0 194.061 1.756 10 0 ADAERN Cc1coc2c1C[C@@H](CO)CC2 238549750 573870912 /nfs/dbraw/zinc/87/09/12/573870912.db2.gz NACFDJDBIKFQCB-QMMMGPOBSA-N 0 0 166.220 1.685 10 0 ADAERN CCOC[C@H](NC)c1ncccc1F 131516825 573868282 /nfs/dbraw/zinc/86/82/82/573868282.db2.gz REPJFRSVYWQVAV-VIFPVBQESA-N 0 0 198.241 1.518 10 0 ADAERN OC1(c2ccc(F)cc2F)COC1 84346872 573868295 /nfs/dbraw/zinc/86/82/95/573868295.db2.gz CWLGTAUQSVMEAE-UHFFFAOYSA-N 0 0 186.157 1.183 10 0 ADAERN COc1ccc2c(c1)CCN(C)[C@@H]2O 259624343 573868332 /nfs/dbraw/zinc/86/83/32/573868332.db2.gz WGTBYEPMEJYHJS-LLVKDONJSA-N 0 0 193.246 1.174 10 0 ADAERN Cn1cc(C=O)c(-c2ccoc2)n1 87290661 573868340 /nfs/dbraw/zinc/86/83/40/573868340.db2.gz XSDSGEZMNMOSOY-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN OC1(c2cncnc2)CCSCC1 84359663 573868357 /nfs/dbraw/zinc/86/83/57/573868357.db2.gz MSDQWDVWDKTKBN-UHFFFAOYSA-N 0 0 196.275 1.191 10 0 ADAERN Cc1ccc2c(n1)Nc1ccnn1C2 238549083 573868370 /nfs/dbraw/zinc/86/83/70/573868370.db2.gz ONURYDGZFZXVTD-UHFFFAOYSA-N 0 0 186.218 1.692 10 0 ADAERN [NH3+][C@H](CC(F)(F)C1CCC1)C(=O)[O-] 257889629 573868374 /nfs/dbraw/zinc/86/83/74/573868374.db2.gz WVGRHIOLSSILPN-ZCFIWIBFSA-N 0 0 193.193 1.224 10 0 ADAERN CC(C)(O)C(=O)[C@H]1CC1(C)C 238172173 573868379 /nfs/dbraw/zinc/86/83/79/573868379.db2.gz HBXIRIQINLMZRM-ZCFIWIBFSA-N 0 0 156.225 1.373 10 0 ADAERN CC(=O)[C@@H]1CC=C(C)C[C@H]1O 238161539 573868388 /nfs/dbraw/zinc/86/83/88/573868388.db2.gz NFUHNIBFCCZBOO-DTWKUNHWSA-N 0 0 154.209 1.293 10 0 ADAERN CC[C@@H]1CO[C@@H](c2ccoc2)C[NH2+]1 87290799 573868394 /nfs/dbraw/zinc/86/83/94/573868394.db2.gz MVHAYHDLEZNYGT-NXEZZACHSA-N 0 0 181.235 1.719 10 0 ADAERN CCCOCCNc1ccc(C)nn1 715032002 573868395 /nfs/dbraw/zinc/86/83/95/573868395.db2.gz AKCUPHOBSSULDL-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN Oc1ccc2c(c1)OC1(CC1)CN2 259217116 573868419 /nfs/dbraw/zinc/86/84/19/573868419.db2.gz LQBVBJHBLQIWTM-UHFFFAOYSA-N 0 0 177.203 1.729 10 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/nfs/dbraw/zinc/86/92/67/573869267.db2.gz JIBOOUTUFAOMBL-UHFFFAOYSA-N 0 0 199.637 1.577 10 0 ADAERN OCCc1ncc2c(Cl)cccn12 257889707 573869278 /nfs/dbraw/zinc/86/92/78/573869278.db2.gz WXSONAMVMZHGET-UHFFFAOYSA-N 0 0 196.637 1.523 10 0 ADAERN CC[C@H](CO)C(=O)c1cc[nH]c1 259215058 573869281 /nfs/dbraw/zinc/86/92/81/573869281.db2.gz SYPKMYLHBKCEBK-SSDOTTSWSA-N 0 0 167.208 1.216 10 0 ADAERN CC[C@H]1CO[C@H](c2ccoc2)C[NH2+]1 87290798 573869284 /nfs/dbraw/zinc/86/92/84/573869284.db2.gz MVHAYHDLEZNYGT-UWVGGRQHSA-N 0 0 181.235 1.719 10 0 ADAERN CC(C)NC1=CC(=S)NC(C)(C)C1 238161476 573869292 /nfs/dbraw/zinc/86/92/92/573869292.db2.gz JQXXEIFQDBPKPT-UHFFFAOYSA-N 0 0 198.335 1.968 10 0 ADAERN c1cnc(Nc2cncnc2)cn1 238541282 573869294 /nfs/dbraw/zinc/86/92/94/573869294.db2.gz KIPJOTUTVVOCDY-UHFFFAOYSA-N 0 0 173.179 1.010 10 0 ADAERN CC(O)=C1CCC(C)(C)OC1=O 238162019 573869299 /nfs/dbraw/zinc/86/92/99/573869299.db2.gz RXHXINVYXVXMSF-ZETCQYMHSA-N 0 0 170.208 1.307 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)COC(F)F 308459357 573869304 /nfs/dbraw/zinc/86/93/04/573869304.db2.gz GZIIBTNJXGEJCX-NTSWFWBYSA-N 0 0 193.193 1.140 10 0 ADAERN CSC[C@@H](C)[NH2+]C[C@@H](C)C(=O)[O-] 127487189 573870954 /nfs/dbraw/zinc/87/09/54/573870954.db2.gz PLNQGHXLHCKOML-RNFRBKRXSA-N 0 0 191.296 1.048 10 0 ADAERN O=C1[C@@H](F)[C@H]2C=CC[C@@H]12 238550862 573869322 /nfs/dbraw/zinc/86/93/22/573869322.db2.gz LZGLCAHSDOFOGU-JKUQZMGJSA-N 0 0 126.130 1.100 10 0 ADAERN CC(=O)OC[C@@]1(C)CCCC1=O 238162025 573869350 /nfs/dbraw/zinc/86/93/50/573869350.db2.gz MSIOPXZWFFEUSD-SECBINFHSA-N 0 0 170.208 1.309 10 0 ADAERN c1nocc1O[C@H]1CCSC1 258439463 573869360 /nfs/dbraw/zinc/86/93/60/573869360.db2.gz JTTVBNSQAMBWLC-LURJTMIESA-N 0 0 171.221 1.559 10 0 ADAERN C[C@H](O)CC[C@@H](O)C1CCCC1 127381522 573869368 /nfs/dbraw/zinc/86/93/68/573869368.db2.gz GNVVFBMOKIWRJX-WCBMZHEXSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)[C@@H]1C[C@H]([NH3+])C[C@@H](C(=O)[O-])C1 238162299 573869369 /nfs/dbraw/zinc/86/93/69/573869369.db2.gz YYECSMKXRSQDEO-CIUDSAMLSA-N 0 0 185.267 1.471 10 0 ADAERN c1nocc1O[C@@H]1CCSC1 258439465 573869380 /nfs/dbraw/zinc/86/93/80/573869380.db2.gz JTTVBNSQAMBWLC-ZCFIWIBFSA-N 0 0 171.221 1.559 10 0 ADAERN C[C@H]1CCCn2c1c[nH]c2=O 258438670 573869390 /nfs/dbraw/zinc/86/93/90/573869390.db2.gz DUEPQNJNPFFGLR-LURJTMIESA-N 0 0 152.197 1.486 10 0 ADAERN CC1(C)C=CC(C)(C)[C@@H](CO)[C@@H]1CO 238172128 573869409 /nfs/dbraw/zinc/86/94/09/573869409.db2.gz DMJFKHWGJVHAAK-UWVGGRQHSA-N 0 0 198.306 1.826 10 0 ADAERN NC(=O)[C@@H]1CC23CCC(CC2)[C@@H]13 238541335 573869437 /nfs/dbraw/zinc/86/94/37/573869437.db2.gz QPNJYKLQUREVKK-CINMIUTLSA-N 0 0 165.236 1.298 10 0 ADAERN [NH3+][C@@H](CC(F)(F)C1CCC1)C(=O)[O-] 257889627 573869440 /nfs/dbraw/zinc/86/94/40/573869440.db2.gz WVGRHIOLSSILPN-LURJTMIESA-N 0 0 193.193 1.224 10 0 ADAERN C[C@@H](F)[C@@](C[NH3+])(C(=O)[O-])C1CCC1 257889569 573869451 /nfs/dbraw/zinc/86/94/51/573869451.db2.gz WUGOACJZIVHTPI-HZGVNTEJSA-N 0 0 189.230 1.174 10 0 ADAERN CC(C)([NH3+])c1nc(-c2ccoc2)c[nH]1 87290920 573869452 /nfs/dbraw/zinc/86/94/52/573869452.db2.gz QKJWORSDRZXGOK-UHFFFAOYSA-N 0 0 191.234 1.864 10 0 ADAERN Cc1ncc(OC(C)C)n1C 238162536 573869470 /nfs/dbraw/zinc/86/94/70/573869470.db2.gz SVIJIZAHCITCOH-UHFFFAOYSA-N 0 0 154.213 1.516 10 0 ADAERN C[C@@H](F)[C@@]([NH3+])(C(=O)[O-])C1CCCC1 257891741 573869472 /nfs/dbraw/zinc/86/94/72/573869472.db2.gz XFEBEJOXTOMYHJ-MUWHJKNJSA-N 0 0 189.230 1.317 10 0 ADAERN CC1(C)C[NH2+]C[C@@H](c2ccoc2)O1 87290836 573869512 /nfs/dbraw/zinc/86/95/12/573869512.db2.gz XDRGMERDNLYUML-VIFPVBQESA-N 0 0 181.235 1.719 10 0 ADAERN COC(=O)[C@]1(C(C)(C)C)CCCCN1 258166802 573869543 /nfs/dbraw/zinc/86/95/43/573869543.db2.gz NYQBDFCSAVUVRH-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN CC1(C)C=CC=C(C(N)=O)C=C1 238172232 573869545 /nfs/dbraw/zinc/86/95/45/573869545.db2.gz DYPYMPUKIPQHSX-UHFFFAOYSA-N 0 0 163.220 1.550 10 0 ADAERN CC(C)C[C@@H]1N[C@H](C(C)(C)C)OC1=O 238161983 573869580 /nfs/dbraw/zinc/86/95/80/573869580.db2.gz NWXODVMYZOBQJU-WPRPVWTQSA-N 0 0 199.294 1.920 10 0 ADAERN COc1ccsc1N 101467408 573869585 /nfs/dbraw/zinc/86/95/85/573869585.db2.gz VCUHDJBZJAAWLY-UHFFFAOYSA-N 0 0 129.184 1.339 10 0 ADAERN Cc1ccc(C(=O)CNO)cc1 238549622 573869599 /nfs/dbraw/zinc/86/95/99/573869599.db2.gz REZUGNJZGYYFMW-UHFFFAOYSA-N 0 0 165.192 1.157 10 0 ADAERN c1cc([C@@H]2C[NH2+]C[C@H](C3CC3)O2)co1 87290823 573869626 /nfs/dbraw/zinc/86/96/26/573869626.db2.gz PLDKFCWKNZOFBC-MNOVXSKESA-N 0 0 193.246 1.719 10 0 ADAERN CC1(C)NNC2=C1C(=O)CCC=C2 238172177 573869642 /nfs/dbraw/zinc/86/96/42/573869642.db2.gz LJEOBUPISNRKDO-SECBINFHSA-N 0 0 178.235 1.260 10 0 ADAERN O=C(Cc1ccncn1)C1CCC1 259216463 573869658 /nfs/dbraw/zinc/86/96/58/573869658.db2.gz RDCJXOJZCZSELI-UHFFFAOYSA-N 0 0 176.219 1.388 10 0 ADAERN CCOC[C@@H](NC)c1ncccc1F 131517002 573869679 /nfs/dbraw/zinc/86/96/79/573869679.db2.gz REPJFRSVYWQVAV-SECBINFHSA-N 0 0 198.241 1.518 10 0 ADAERN CCCOCCNc1nccnc1C 715033764 573869718 /nfs/dbraw/zinc/86/97/18/573869718.db2.gz KMOCPWYEERRWML-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN Cc1cccc2c1N(CCO)CCC2 238550598 573869722 /nfs/dbraw/zinc/86/97/22/573869722.db2.gz DJXGCROLXVIWIY-UHFFFAOYSA-N 0 0 191.274 1.740 10 0 ADAERN CC(=O)c1onc(C)c1Cl 238162073 573869728 /nfs/dbraw/zinc/86/97/28/573869728.db2.gz RHHUPHCFLNNVNA-UHFFFAOYSA-N 0 0 159.572 1.839 10 0 ADAERN c1ccc(N2CCn3cnnc32)cc1 101559481 573869735 /nfs/dbraw/zinc/86/97/35/573869735.db2.gz JPVIESFXZXINMV-UHFFFAOYSA-N 0 0 186.218 1.430 10 0 ADAERN COC(=O)[C@@H](O)c1cc(F)ccc1C 84379193 573869747 /nfs/dbraw/zinc/86/97/47/573869747.db2.gz PUJRQLJDJCBBOF-VIFPVBQESA-N 0 0 198.193 1.341 10 0 ADAERN Cc1c(O)ccc2cc(O)c(=O)oc12 238541344 573869753 /nfs/dbraw/zinc/86/97/53/573869753.db2.gz OKBBELDILKMYGD-UHFFFAOYSA-N 0 0 192.170 1.513 10 0 ADAERN Cc1nc(N)ccc1C(F)F 238550141 573869765 /nfs/dbraw/zinc/86/97/65/573869765.db2.gz ILAYSDYAXVQCNS-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN N/C=C/c1cc(Cl)ccc1O 238549770 573869781 /nfs/dbraw/zinc/86/97/81/573869781.db2.gz VGUIBCZOLZPHLS-ONEGZZNKSA-N 0 0 169.611 1.975 10 0 ADAERN C[C@H]1C[NH2+]C[C@@H](c2ccoc2)O1 87290806 573869786 /nfs/dbraw/zinc/86/97/86/573869786.db2.gz UXQFWSKQXKNAGA-CBAPKCEASA-N 0 0 167.208 1.329 10 0 ADAERN Cc1ccc(Cl)c(C(=O)CN)c1O 214998466 573869789 /nfs/dbraw/zinc/86/97/89/573869789.db2.gz BEROCAXGAUDPHR-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN c1cc(Nc2cnns2)cc[nH+]1 238541085 573869793 /nfs/dbraw/zinc/86/97/93/573869793.db2.gz MKLGRJGFTHKTQU-UHFFFAOYSA-N 0 0 178.220 1.677 10 0 ADAERN CCOCC[C@@H](C[C@@H](C)CC)NN 131434093 573869836 /nfs/dbraw/zinc/86/98/36/573869836.db2.gz GQGHWJQHJLXASM-UWVGGRQHSA-N 0 0 188.315 1.681 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]2NC(=O)[C@@H]21 238162510 573869802 /nfs/dbraw/zinc/86/98/02/573869802.db2.gz BOLIXWWOISIEKU-FSDSQADBSA-N 0 0 153.225 1.167 10 0 ADAERN Cc1cc2c(cc1N)S(=O)(=O)C=C2 238541375 573869806 /nfs/dbraw/zinc/86/98/06/573869806.db2.gz SGDVBCBGAMPTPY-UHFFFAOYSA-N 0 0 195.243 1.335 10 0 ADAERN Oc1ccc2nc3n(c2c1)CCOC3 257891642 573869849 /nfs/dbraw/zinc/86/98/49/573869849.db2.gz XDTAUKBBPSTZHA-UHFFFAOYSA-N 0 0 190.202 1.272 10 0 ADAERN C[C@H](CC(=O)[O-])C[N@H+](C)C(C)(C)C 258976686 573869858 /nfs/dbraw/zinc/86/98/58/573869858.db2.gz XRZFGTWYFHQTSG-MRVPVSSYSA-N 0 0 187.283 1.828 10 0 ADAERN CC(=O)[C@@H]1CCC=C(CO)C1 238162490 573869862 /nfs/dbraw/zinc/86/98/62/573869862.db2.gz NRAZOJBCNIUKMD-SECBINFHSA-N 0 0 154.209 1.294 10 0 ADAERN CC(C)NC(=O)N1CC(=O)CC1(C)C 259217084 573869869 /nfs/dbraw/zinc/86/98/69/573869869.db2.gz QQYCHUYMMOQRMX-UHFFFAOYSA-N 0 0 198.266 1.158 10 0 ADAERN CCCC(=O)CN(CC)[C@@H]1CCOC1 308459489 573869893 /nfs/dbraw/zinc/86/98/93/573869893.db2.gz CTWDPVXNWIEZDV-SNVBAGLBSA-N 0 0 199.294 1.466 10 0 ADAERN COC(=O)[C@@H](F)C[C@H]1CCSC1 257889666 573870867 /nfs/dbraw/zinc/87/08/67/573870867.db2.gz WWKZGKZDRXCANP-RQJHMYQMSA-N 0 0 192.255 1.641 10 0 ADAERN FC(F)(F)C1=NCCCCN1 238555544 573869921 /nfs/dbraw/zinc/86/99/21/573869921.db2.gz IMIABFRDSQWIKC-UHFFFAOYSA-N 0 0 166.146 1.331 10 0 ADAERN CC(C)=C[C@@H](O)C(C)(C)CO 238162408 573869934 /nfs/dbraw/zinc/86/99/34/573869934.db2.gz JTPDFROUFHETEA-MRVPVSSYSA-N 0 0 158.241 1.332 10 0 ADAERN COC(=O)[C@@]1(C(C)(C)C)CCCCN1 258166798 573869935 /nfs/dbraw/zinc/86/99/35/573869935.db2.gz NYQBDFCSAVUVRH-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN CCCc1cc(C)nc(C(=O)OC)n1 258977231 573869937 /nfs/dbraw/zinc/86/99/37/573869937.db2.gz AZLYHJKZGZQCNJ-UHFFFAOYSA-N 0 0 194.234 1.524 10 0 ADAERN CC1(CCO)CCOCC1 238172148 573869938 /nfs/dbraw/zinc/86/99/38/573869938.db2.gz SOZGUGQCDXXUOB-UHFFFAOYSA-N 0 0 144.214 1.186 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccoc2)C[NH2+]1 87290809 573869952 /nfs/dbraw/zinc/86/99/52/573869952.db2.gz ZBBIOQSVULWWAE-VXNVDRBHSA-N 0 0 167.208 1.329 10 0 ADAERN [NH3+]C1(c2nc(-c3ccoc3)c[nH]2)CC1 87290921 573869967 /nfs/dbraw/zinc/86/99/67/573869967.db2.gz MXJLXNWADLDPMI-UHFFFAOYSA-N 0 0 189.218 1.618 10 0 ADAERN COCCN(C(=O)C1CC1)C(C)C 131430750 573869987 /nfs/dbraw/zinc/86/99/87/573869987.db2.gz AYUJMVOGVCPWQM-UHFFFAOYSA-N 0 0 185.267 1.280 10 0 ADAERN Cc1c(O)ccc2c1NC(=O)C21CC1 238541191 573869993 /nfs/dbraw/zinc/86/99/93/573869993.db2.gz NOIOPKPQPZCMLF-UHFFFAOYSA-N 0 0 189.214 1.684 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]2NC(=O)C[C@@H]2O1 238162063 573870011 /nfs/dbraw/zinc/87/00/11/573870011.db2.gz OOWNZNCSUHVUDE-FXQIFTODSA-N 0 0 183.251 1.079 10 0 ADAERN Cc1cc(C)c(C2(O)COC2)cc1C 259048409 573870053 /nfs/dbraw/zinc/87/00/53/573870053.db2.gz AMVRXUGNPPMESU-UHFFFAOYSA-N 0 0 192.258 1.830 10 0 ADAERN O=C1C[C@@H]2CC[C@H]2C[C@@H]1F 238550115 573870871 /nfs/dbraw/zinc/87/08/71/573870871.db2.gz IKELMLQFBVKOAZ-ACZMJKKPSA-N 0 0 142.173 1.714 10 0 ADAERN O=C1C[C@H]2CC[C@@H]2C[C@@H]1F 238550319 573870058 /nfs/dbraw/zinc/87/00/58/573870058.db2.gz IKELMLQFBVKOAZ-QYNIQEEDSA-N 0 0 142.173 1.714 10 0 ADAERN CC[C@@H](OC)[C@@H](NN)C1CCCC1 122960078 573870068 /nfs/dbraw/zinc/87/00/68/573870068.db2.gz NKIOQFPHTLCLMD-ZJUUUORDSA-N 0 0 186.299 1.434 10 0 ADAERN Cc1cc2c(cc1O)COC2=O 238541128 573870089 /nfs/dbraw/zinc/87/00/89/573870089.db2.gz YWQICVMBAKVJAN-UHFFFAOYSA-N 0 0 164.160 1.371 10 0 ADAERN CC(C)[C@@H]1C[C@H]1[C@@H](C)O 238162911 573870099 /nfs/dbraw/zinc/87/00/99/573870099.db2.gz BXUCLYFKEMPUFN-CSMHCCOUSA-N 0 0 128.215 1.659 10 0 ADAERN O=C1Cc2ccccc2C[C@@H]1F 238550374 573870109 /nfs/dbraw/zinc/87/01/09/573870109.db2.gz ATCUJEHZRXYQNL-VIFPVBQESA-N 0 0 164.179 1.692 10 0 ADAERN CC(=O)c1occc1C=O 238162013 573870163 /nfs/dbraw/zinc/87/01/63/573870163.db2.gz ZCAMGBMDJQBHBJ-UHFFFAOYSA-N 0 0 138.122 1.295 10 0 ADAERN c1cc([C@H]2C[NH2+]C[C@H](C3CC3)O2)co1 87290824 573870165 /nfs/dbraw/zinc/87/01/65/573870165.db2.gz PLDKFCWKNZOFBC-GHMZBOCLSA-N 0 0 193.246 1.719 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]2NC(=O)[C@@H]21 238162138 573870171 /nfs/dbraw/zinc/87/01/71/573870171.db2.gz BOLIXWWOISIEKU-DSYKOEDSSA-N 0 0 153.225 1.167 10 0 ADAERN O=C1C[C@H]2CC[C@H]2C[C@@H]1F 238550097 573870176 /nfs/dbraw/zinc/87/01/76/573870176.db2.gz IKELMLQFBVKOAZ-XVMARJQXSA-N 0 0 142.173 1.714 10 0 ADAERN CCCn1nc(C)c(CCCO)c1C 257889625 573870217 /nfs/dbraw/zinc/87/02/17/573870217.db2.gz WVFYZWBUEKJBTE-UHFFFAOYSA-N 0 0 196.294 1.835 10 0 ADAERN NNc1ccc(-c2ccoc2)n[nH+]1 87290950 573870234 /nfs/dbraw/zinc/87/02/34/573870234.db2.gz PIKSCPPPJHZODT-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN c1cc([C@@H]2C[NH2+]C[C@@H](C3CC3)O2)co1 87290825 573870250 /nfs/dbraw/zinc/87/02/50/573870250.db2.gz PLDKFCWKNZOFBC-QWRGUYRKSA-N 0 0 193.246 1.719 10 0 ADAERN COCNc1ccc2oc(=O)[nH]c2c1 258979628 573870269 /nfs/dbraw/zinc/87/02/69/573870269.db2.gz CIWIKQCAVJGQQE-UHFFFAOYSA-N 0 0 194.190 1.137 10 0 ADAERN C[C@@H]([NH3+])c1nc(-c2ccoc2)c[nH]1 87290864 573870286 /nfs/dbraw/zinc/87/02/86/573870286.db2.gz KNRVGZOJWJKWQE-ZCFIWIBFSA-N 0 0 177.207 1.689 10 0 ADAERN O=C1CCc2ncc(F)cc21 238550099 573870297 /nfs/dbraw/zinc/87/02/97/573870297.db2.gz SCVBVGCKBPPWCZ-UHFFFAOYSA-N 0 0 151.140 1.350 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]2NC(=O)O[C@@H]2C1 238162115 573870321 /nfs/dbraw/zinc/87/03/21/573870321.db2.gz VFFVIWBRWDUUPN-GJMOJQLCSA-N 0 0 183.251 1.920 10 0 ADAERN c1cn2nc(-c3cc[nH]c3)ccc2n1 258978944 573870326 /nfs/dbraw/zinc/87/03/26/573870326.db2.gz DWUIWXWKVRNNQO-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN Cc1cccc2c1C[C@H](O)C2=O 238549674 573870338 /nfs/dbraw/zinc/87/03/38/573870338.db2.gz QQMWIWDZVJNDAQ-VIFPVBQESA-N 0 0 162.188 1.095 10 0 ADAERN S=c1nc(-c2cc[nH]c2)cc[nH]1 259216556 573870353 /nfs/dbraw/zinc/87/03/53/573870353.db2.gz XQLYXWUWHQTHFP-UHFFFAOYSA-N 0 0 177.232 1.760 10 0 ADAERN O[C@]1(c2cccnc2)CCCSC1 84358351 573870361 /nfs/dbraw/zinc/87/03/61/573870361.db2.gz NENWSMPTIUTYQG-SNVBAGLBSA-N 0 0 195.287 1.796 10 0 ADAERN NN=c1[nH]c(-c2ccoc2)cs1 87290949 573870362 /nfs/dbraw/zinc/87/03/62/573870362.db2.gz NSKOZWZRYRNXFZ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN C/C=C(\CC)C(=O)N[C@H](C)[C@@H](C)O 393567092 573870394 /nfs/dbraw/zinc/87/03/94/573870394.db2.gz VGLXNSGHXBSQRK-SGTXXOIZSA-N 0 0 185.267 1.228 10 0 ADAERN Cc1cc(N)ncc1OC(C)C 238163042 573870411 /nfs/dbraw/zinc/87/04/11/573870411.db2.gz PIYHSPZTDTUWAM-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN CC(C)NC1=N[C@H]2CCCC[C@@H]2O1 238162369 573870422 /nfs/dbraw/zinc/87/04/22/573870422.db2.gz QAGDWEZVIIKDHS-IUCAKERBSA-N 0 0 182.267 1.682 10 0 ADAERN CC(=O)[C@@H]1C=CCC[C@H]1C(C)=O 238162730 573870439 /nfs/dbraw/zinc/87/04/39/573870439.db2.gz KOSXHMFLEGCCNZ-UWVGGRQHSA-N 0 0 166.220 1.747 10 0 ADAERN CC(C)NC1=CC(=O)NC(C)(C)C1 238161449 573870447 /nfs/dbraw/zinc/87/04/47/573870447.db2.gz WXZJMZXZKPMBRD-UHFFFAOYSA-N 0 0 182.267 1.167 10 0 ADAERN CC(C)CCCCN1CN[C@@H](C)C1=O 131520687 573870450 /nfs/dbraw/zinc/87/04/50/573870450.db2.gz BOOUUOLREQRYRL-JTQLQIEISA-N 0 0 198.310 1.591 10 0 ADAERN CC1(C)C=CC(C)(C)[C@H](CO)[C@@H]1CO 238172150 573870452 /nfs/dbraw/zinc/87/04/52/573870452.db2.gz DMJFKHWGJVHAAK-AOOOYVTPSA-N 0 0 198.306 1.826 10 0 ADAERN Cc1cc2c(cn1)COC2=O 238541163 573870453 /nfs/dbraw/zinc/87/04/53/573870453.db2.gz LZTZTPDHUNMNOK-UHFFFAOYSA-N 0 0 149.149 1.060 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](c1ccc[nH]1)[NH+](C)C 259575677 573870462 /nfs/dbraw/zinc/87/04/62/573870462.db2.gz PMUFJUPFMOVOAY-APPZFPTMSA-N 0 0 196.250 1.338 10 0 ADAERN CCC[C@@H](OC)C(=O)c1cn(C)cn1 393669653 573870484 /nfs/dbraw/zinc/87/04/84/573870484.db2.gz RPWJVORBGMZZNE-SECBINFHSA-N 0 0 196.250 1.418 10 0 ADAERN Cc1cccc2c1N(C(N)=O)CC=C2 238549974 573870494 /nfs/dbraw/zinc/87/04/94/573870494.db2.gz AWHAGIPKBFZMLO-UHFFFAOYSA-N 0 0 188.230 1.907 10 0 ADAERN CC(C)C[C@@H]([NH3+])C1(C(=O)[O-])CCC1 259624568 573870503 /nfs/dbraw/zinc/87/05/03/573870503.db2.gz YBVWKDGCGFZFKW-MRVPVSSYSA-N 0 0 185.267 1.615 10 0 ADAERN COC(=O)[C@H](F)C[C@H]1CCSC1 257889665 573870513 /nfs/dbraw/zinc/87/05/13/573870513.db2.gz WWKZGKZDRXCANP-RNFRBKRXSA-N 0 0 192.255 1.641 10 0 ADAERN C[C@@H](F)[C@]([NH3+])(C(=O)[O-])C1CCCC1 257891734 573870523 /nfs/dbraw/zinc/87/05/23/573870523.db2.gz XFEBEJOXTOMYHJ-HZGVNTEJSA-N 0 0 189.230 1.317 10 0 ADAERN Cc1cccc2c1CN(C#N)CC2 238550749 573870529 /nfs/dbraw/zinc/87/05/29/573870529.db2.gz FSWTZXNPJJIIPU-UHFFFAOYSA-N 0 0 172.231 1.834 10 0 ADAERN CC(=O)CC[C@H](O)C=C(C)C 238162867 573870534 /nfs/dbraw/zinc/87/05/34/573870534.db2.gz PMEHWNMPRUISCT-VIFPVBQESA-N 0 0 156.225 1.683 10 0 ADAERN Cc1cc2c(cc1F)COC2=O 238541102 573870541 /nfs/dbraw/zinc/87/05/41/573870541.db2.gz PZWACSMNDYIHLI-UHFFFAOYSA-N 0 0 166.151 1.805 10 0 ADAERN OCCCc1n[nH]c2ccccc12 80058476 573870889 /nfs/dbraw/zinc/87/08/89/573870889.db2.gz TUAOYARZDJJOBA-UHFFFAOYSA-N 0 0 176.219 1.488 10 0 ADAERN Cc1nc(N)ccc1OC1CCC1 238550565 573870556 /nfs/dbraw/zinc/87/05/56/573870556.db2.gz GDLANNHCZMFNJN-UHFFFAOYSA-N 0 0 178.235 1.904 10 0 ADAERN Cc1c(O)cc(C(=O)CN)cc1Cl 214998046 573870570 /nfs/dbraw/zinc/87/05/70/573870570.db2.gz CYSOHVLODNRBIA-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN CC[N@@H+]1CCC[C@H](c2cc(N)no2)C1 259217051 573870591 /nfs/dbraw/zinc/87/05/91/573870591.db2.gz LPTRJCZMZDVIGF-QMMMGPOBSA-N 0 0 195.266 1.456 10 0 ADAERN CC(=O)[C@@H]1CCC=C2C=CCO[C@@H]21 238162570 573870600 /nfs/dbraw/zinc/87/06/00/573870600.db2.gz SSEIHYKNSREOHI-QWRGUYRKSA-N 0 0 178.231 1.867 10 0 ADAERN CC1(C)[NH2+][C@@H](C(=O)[O-])c2ccccc21 238172405 573870608 /nfs/dbraw/zinc/87/06/08/573870608.db2.gz AAKDYSKPJRRHID-SECBINFHSA-N 0 0 191.230 1.651 10 0 ADAERN CC(C)Oc1cnc(C=O)c(F)c1 238162571 573870641 /nfs/dbraw/zinc/87/06/41/573870641.db2.gz QGERDTYOQGAVBV-UHFFFAOYSA-N 0 0 183.182 1.820 10 0 ADAERN Cc1[nH]c(N)cc(=O)c1C(F)F 238549868 573870646 /nfs/dbraw/zinc/87/06/46/573870646.db2.gz PKZWXXKOIDNTOD-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC(C)Oc1cnc(F)nc1 238162796 573870649 /nfs/dbraw/zinc/87/06/49/573870649.db2.gz XKJOKAHCIKSJLU-UHFFFAOYSA-N 0 0 156.160 1.403 10 0 ADAERN Cn1nc(Cl)c(=O)cc1Cl 238541127 573870660 /nfs/dbraw/zinc/87/06/60/573870660.db2.gz ADOKJMLZOSVSEO-UHFFFAOYSA-N 0 0 179.006 1.087 10 0 ADAERN CC(C)Oc1cnc(N)c(N)c1 238162935 573870678 /nfs/dbraw/zinc/87/06/78/573870678.db2.gz MNDCGUWPQIQDKB-UHFFFAOYSA-N 0 0 167.212 1.033 10 0 ADAERN CC(=O)c1nnn2c(C)cccc12 238161432 573870687 /nfs/dbraw/zinc/87/06/87/573870687.db2.gz QYFIFNJOUFJGPX-UHFFFAOYSA-N 0 0 175.191 1.240 10 0 ADAERN CC(=O)C1=C(C)NC[C@@H]1C(C)C 238162709 573870693 /nfs/dbraw/zinc/87/06/93/573870693.db2.gz JVGHQLQXKXYPTH-ZJUUUORDSA-N 0 0 167.252 1.938 10 0 ADAERN CC(=O)c1sc(=N)n(C)c1C 238162230 573870699 /nfs/dbraw/zinc/87/06/99/573870699.db2.gz ZAVOMHLQGQXWIC-UHFFFAOYSA-N 0 0 170.237 1.077 10 0 ADAERN CC[C@H]1CO[C@@H](c2ccoc2)C[NH2+]1 87290800 573870703 /nfs/dbraw/zinc/87/07/03/573870703.db2.gz MVHAYHDLEZNYGT-VHSXEESVSA-N 0 0 181.235 1.719 10 0 ADAERN C[C@@H]([NH2+]C1CC(O)C1)c1ccoc1 87290460 573870714 /nfs/dbraw/zinc/87/07/14/573870714.db2.gz NMIWEPPOZPZCGV-CUUXFQNZSA-N 0 0 181.235 1.454 10 0 ADAERN C=C=C(C)C(C)(C)CO 238162954 573870720 /nfs/dbraw/zinc/87/07/20/573870720.db2.gz XJBBWXBSUHAKGY-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN COC(=O)[C@]1(C(C)C)C[C@H]1C 258976225 573870726 /nfs/dbraw/zinc/87/07/26/573870726.db2.gz IWGRIVIHGVDURV-APPZFPTMSA-N 0 0 156.225 1.842 10 0 ADAERN CC1(C)C=CC(C)(C)[C@H](CO)[C@H]1CO 238172174 573870739 /nfs/dbraw/zinc/87/07/39/573870739.db2.gz DMJFKHWGJVHAAK-NXEZZACHSA-N 0 0 198.306 1.826 10 0 ADAERN Cc1cc2c(cc1F)CCOC2=O 238540977 573870819 /nfs/dbraw/zinc/87/08/19/573870819.db2.gz OWSXDQPUUKQMGV-UHFFFAOYSA-N 0 0 180.178 1.847 10 0 ADAERN CC(C)CCCCn1cnnc1CO 147871467 573870769 /nfs/dbraw/zinc/87/07/69/573870769.db2.gz OINUADHQLBEIAB-UHFFFAOYSA-N 0 0 197.282 1.597 10 0 ADAERN Cc1cc(C)nc(C2(CO)CC2)n1 258977192 573870771 /nfs/dbraw/zinc/87/07/71/573870771.db2.gz AYRPJUROKKBQEZ-UHFFFAOYSA-N 0 0 178.235 1.117 10 0 ADAERN [NH3+]Cc1nc(-c2ccoc2)cs1 87290570 573870785 /nfs/dbraw/zinc/87/07/85/573870785.db2.gz GLSZREQPRIEQMX-UHFFFAOYSA-N 0 0 180.232 1.862 10 0 ADAERN O=c1[nH]ccc2cc(F)cnc12 238550696 573870791 /nfs/dbraw/zinc/87/07/91/573870791.db2.gz GBGBMKNQBLEZIW-UHFFFAOYSA-N 0 0 164.139 1.062 10 0 ADAERN C[C@H](c1ccoc1)n1nccc1N 87290544 573870799 /nfs/dbraw/zinc/87/07/99/573870799.db2.gz FPXLKCHLMRBLDB-SSDOTTSWSA-N 0 0 177.207 1.668 10 0 ADAERN C[C@@]1(CCO)CN(C2CCC2)C(=O)O1 258168307 573871006 /nfs/dbraw/zinc/87/10/06/573871006.db2.gz YWMAJLGPWKDAAQ-SNVBAGLBSA-N 0 0 199.250 1.132 10 0 ADAERN C[C@H]1CO[C@@H](c2ccoc2)C[NH2+]1 87290810 573872112 /nfs/dbraw/zinc/87/21/12/573872112.db2.gz ZBBIOQSVULWWAE-IONNQARKSA-N 0 0 167.208 1.329 10 0 ADAERN CC(=O)[C@H](F)CC1CCOCC1 257889396 573872135 /nfs/dbraw/zinc/87/21/35/573872135.db2.gz NFKRRGAZWFGSPE-SECBINFHSA-N 0 0 174.215 1.730 10 0 ADAERN O=C1OCCc2c(F)cccc21 238550571 573871894 /nfs/dbraw/zinc/87/18/94/573871894.db2.gz CRSFNOLCJPOGJP-UHFFFAOYSA-N 0 0 166.151 1.539 10 0 ADAERN CC1=C(C=O)NC(=O)C1C 238541170 573871902 /nfs/dbraw/zinc/87/19/02/573871902.db2.gz ZYXGOCTTXNGNEB-UHFFFAOYSA-N 0 0 139.154 1.150 10 0 ADAERN COC(=O)[C@]1(c2ccc[nH]2)C[C@@H]1C 258976412 573871919 /nfs/dbraw/zinc/87/19/19/573871919.db2.gz IZPUDRFKLMMGNG-OIBJUYFYSA-N 0 0 179.219 1.465 10 0 ADAERN O[C@@H]1CCc2cnc(C3CCC3)n2C1 258169099 573871928 /nfs/dbraw/zinc/87/19/28/573871928.db2.gz ILIJVDBLZHUKAA-SNVBAGLBSA-N 0 0 192.262 1.458 10 0 ADAERN CC(C)C[C@@H]1[C@@H](C(N)=O)C1(C)C 238163351 573871945 /nfs/dbraw/zinc/87/19/45/573871945.db2.gz CECUUHNNLZWEMT-SFYZADRCSA-N 0 0 169.268 1.790 10 0 ADAERN [NH3+]Cc1ccc(-c2ccoc2)[nH]c1=O 87290945 573871949 /nfs/dbraw/zinc/87/19/49/573871949.db2.gz UIKJEIPFUXNAHA-UHFFFAOYSA-N 0 0 190.202 1.094 10 0 ADAERN CC(=C/CO)/C=C/[C@@H]1OC1(C)C 238165288 573871950 /nfs/dbraw/zinc/87/19/50/573871950.db2.gz RQMREQMEAUWPPP-CGPLRWPISA-N 0 0 168.236 1.659 10 0 ADAERN CCC(C)(C)N(C)C=O 80018907 573871960 /nfs/dbraw/zinc/87/19/60/573871960.db2.gz GCFIBYAEVBGKOX-UHFFFAOYSA-N 0 0 129.203 1.263 10 0 ADAERN CC(C)=C[C@@H]1NC(=O)CC1(C)C 238164951 573872077 /nfs/dbraw/zinc/87/20/77/573872077.db2.gz GMBUNSKLGNNBGQ-QMMMGPOBSA-N 0 0 167.252 1.867 10 0 ADAERN COCCN(C(=O)C(C)C)C(C)C 131432668 573871971 /nfs/dbraw/zinc/87/19/71/573871971.db2.gz GYIBMTJWPDIZAH-UHFFFAOYSA-N 0 0 187.283 1.526 10 0 ADAERN CNC(NC)c1cccc(F)c1 259215060 573871984 /nfs/dbraw/zinc/87/19/84/573871984.db2.gz FXHDGMKNEGJPPE-UHFFFAOYSA-N 0 0 168.215 1.263 10 0 ADAERN NC(=O)[C@H]1c2ccccc2C2CC1C2 238541167 573871985 /nfs/dbraw/zinc/87/19/85/573871985.db2.gz OJTZQFPBOBCWOZ-OIAXGBPSSA-N 0 0 187.242 1.763 10 0 ADAERN Nc1nccc(-c2cccc(C=O)c2)n1 257889547 573871997 /nfs/dbraw/zinc/87/19/97/573871997.db2.gz UBYQZLJAEGKQCO-UHFFFAOYSA-N 0 0 199.213 1.538 10 0 ADAERN CC(=O)c1c(O)cc2c(c1O)CCO2 238164653 573872005 /nfs/dbraw/zinc/87/20/05/573872005.db2.gz BPFBHYJDVOBDFQ-UHFFFAOYSA-N 0 0 194.186 1.235 10 0 ADAERN CC(C)=C[C@@H]1C/C(=C\CO)CO1 238163808 573873602 /nfs/dbraw/zinc/87/36/02/573873602.db2.gz ZFLWHYWHRNYTDK-OTVCUZDGSA-N 0 0 168.236 1.660 10 0 ADAERN C[C@H]1CO[C@H](c2ccoc2)C[NH2+]1 87290808 573873087 /nfs/dbraw/zinc/87/30/87/573873087.db2.gz ZBBIOQSVULWWAE-CBAPKCEASA-N 0 0 167.208 1.329 10 0 ADAERN C[C@H](CC(C)(C)C)ON 259575755 573873092 /nfs/dbraw/zinc/87/30/92/573873092.db2.gz YDIDRHINYHOWOF-ZCFIWIBFSA-N 0 0 131.219 1.701 10 0 ADAERN CCC[C@H](OC)C(=O)c1cn(C)cn1 393669654 573873097 /nfs/dbraw/zinc/87/30/97/573873097.db2.gz RPWJVORBGMZZNE-VIFPVBQESA-N 0 0 196.250 1.418 10 0 ADAERN CCCOCCn1cc(C#N)cn1 393567353 573873150 /nfs/dbraw/zinc/87/31/50/573873150.db2.gz NRWGEVGBRPNELP-UHFFFAOYSA-N 0 0 179.223 1.181 10 0 ADAERN CC[N@H+](C)C[C@@H](C(=O)[O-])C(C)C 258976293 573873160 /nfs/dbraw/zinc/87/31/60/573873160.db2.gz LVEWMQOCSJTNOR-MRVPVSSYSA-N 0 0 173.256 1.295 10 0 ADAERN CCC(=O)[C@H](C)C[C@@H](C)O 76576633 573882991 /nfs/dbraw/zinc/88/29/91/573882991.db2.gz QNEMOJXDBZQRHG-RNFRBKRXSA-N 0 0 144.214 1.373 10 0 ADAERN OCc1cc(CC2CCOCC2)on1 258441809 573873161 /nfs/dbraw/zinc/87/31/61/573873161.db2.gz GQJUSKHAOGOFHA-UHFFFAOYSA-N 0 0 197.234 1.136 10 0 ADAERN CC(C)C[C@@H]1[C@H](C(N)=O)C1(C)C 238163956 573873162 /nfs/dbraw/zinc/87/31/62/573873162.db2.gz CECUUHNNLZWEMT-HTQZYQBOSA-N 0 0 169.268 1.790 10 0 ADAERN C[C@@H](CC(=O)[O-])C[N@H+](C)C(C)(C)C 258976690 573873170 /nfs/dbraw/zinc/87/31/70/573873170.db2.gz XRZFGTWYFHQTSG-QMMMGPOBSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@H](O)C[C@@H](C)OCC1CC1 84401632 573873188 /nfs/dbraw/zinc/87/31/88/573873188.db2.gz OSOKEFYEZDXXSZ-JGVFFNPUSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)C[C@]1(C)NC(=O)NC1=S 238164841 573873197 /nfs/dbraw/zinc/87/31/97/573873197.db2.gz PJYSDJREBBLMOI-QMMMGPOBSA-N 0 0 186.280 1.431 10 0 ADAERN CSC[C@H](C)[NH2+]C[C@@H](C)C(=O)[O-] 127486720 573873201 /nfs/dbraw/zinc/87/32/01/573873201.db2.gz PLNQGHXLHCKOML-RQJHMYQMSA-N 0 0 191.296 1.048 10 0 ADAERN C[C@@H](O)[C@H]1CNc2cccc(O)c21 258168636 573873203 /nfs/dbraw/zinc/87/32/03/573873203.db2.gz RYLHVFBKTCJCIJ-RNFRBKRXSA-N 0 0 179.219 1.282 10 0 ADAERN CC(C)C[C@]1(C)N=NC(=O)N1C(N)=O 238164716 573873219 /nfs/dbraw/zinc/87/32/19/573873219.db2.gz HVTUWIJNQHFCID-MRVPVSSYSA-N 0 0 198.226 1.715 10 0 ADAERN O=Cc1cc(C(F)F)cnc1F 238549943 573873223 /nfs/dbraw/zinc/87/32/23/573873223.db2.gz RLXFSEPTFRHDCU-UHFFFAOYSA-N 0 0 175.109 1.971 10 0 ADAERN CC(C)c1nc2c(n1C)NCCO2 238163760 573873233 /nfs/dbraw/zinc/87/32/33/573873233.db2.gz FWIZGAJUYJNJHC-UHFFFAOYSA-N 0 0 181.239 1.348 10 0 ADAERN CC(C)(C)[C@@]1(C)C[C@H](O)CCO1 238165220 573873238 /nfs/dbraw/zinc/87/32/38/573873238.db2.gz NBQYMRCOPRTBER-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](c1ccoc1)n1nccc1N 87290543 573873297 /nfs/dbraw/zinc/87/32/97/573873297.db2.gz FPXLKCHLMRBLDB-ZETCQYMHSA-N 0 0 177.207 1.668 10 0 ADAERN Cn1ccc2c(CCO)cccc21 238550849 573873301 /nfs/dbraw/zinc/87/33/01/573873301.db2.gz YJXNXXGBVLJJNG-UHFFFAOYSA-N 0 0 175.231 1.713 10 0 ADAERN CC(C)C[C@]1(C)C(N)=NN=C1Cl 238164395 573873308 /nfs/dbraw/zinc/87/33/08/573873308.db2.gz BKYKBXVMBIBGEO-QMMMGPOBSA-N 0 0 187.674 1.962 10 0 ADAERN C[C@H](O)C[C@H](C)c1cnn(C)c1 84400772 573873310 /nfs/dbraw/zinc/87/33/10/573873310.db2.gz KNDVTULBXVFSQD-YUMQZZPRSA-N 0 0 168.240 1.295 10 0 ADAERN Cc1ccc(C[C@@H](C)ON)cc1 259575836 573873317 /nfs/dbraw/zinc/87/33/17/573873317.db2.gz YFNXPYKHSLSMLZ-SECBINFHSA-N 0 0 165.236 1.816 10 0 ADAERN Cc1ccc(NCC(N)=O)c(C)c1C 258979620 573873327 /nfs/dbraw/zinc/87/33/27/573873327.db2.gz CIPQTRACMBZNCY-UHFFFAOYSA-N 0 0 192.262 1.509 10 0 ADAERN Cc1cc(C)c(C)c([C@@H](N)NN)c1C 259216641 573873337 /nfs/dbraw/zinc/87/33/37/573873337.db2.gz DZOXMCFJIVWWQN-NSHDSACASA-N 0 0 193.294 1.341 10 0 ADAERN OCCCc1cn2c(n1)CCCC2 258441554 573873339 /nfs/dbraw/zinc/87/33/39/573873339.db2.gz PCUCEILYAWAYFV-UHFFFAOYSA-N 0 0 180.251 1.144 10 0 ADAERN CC(=O)[C@@H]1OC12CCCCC2 238172621 573873340 /nfs/dbraw/zinc/87/33/40/573873340.db2.gz SEYNKDYUYZJYFD-QMMMGPOBSA-N 0 0 154.209 1.677 10 0 ADAERN CC(=O)[C@@H]1CCC[C@H]1C[C@@H]1CO1 238165396 573873354 /nfs/dbraw/zinc/87/33/54/573873354.db2.gz JYZORVVVEGPTIZ-AEJSXWLSSA-N 0 0 168.236 1.781 10 0 ADAERN Cc1ncccc1-c1c(N)cnn1C 715190066 573873361 /nfs/dbraw/zinc/87/33/61/573873361.db2.gz YWJACOLSDPCUMC-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1c(O)ccc2c1NC(=O)C2(F)F 238541156 573873372 /nfs/dbraw/zinc/87/33/72/573873372.db2.gz VNSYGUCAJJQTKG-UHFFFAOYSA-N 0 0 199.156 1.745 10 0 ADAERN CC(C)Nc1ccccc(=O)c1O 238164380 573873400 /nfs/dbraw/zinc/87/34/00/573873400.db2.gz BFOZNEGPSSWDOC-UHFFFAOYSA-N 0 0 179.219 1.573 10 0 ADAERN CCn1ccc(NC=CC(=O)OC)n1 308459655 573873406 /nfs/dbraw/zinc/87/34/06/573873406.db2.gz PHKOGGBEQCPCEU-XQRVVYSFSA-N 0 0 195.222 1.002 10 0 ADAERN Cc1nc(N)cc(CO)c1C(F)F 238549678 573873413 /nfs/dbraw/zinc/87/34/13/573873413.db2.gz UBHKPHCBLHYVGT-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN C[C@@H]1C[NH2+]C[C@H](c2ccoc2)O1 87290803 573873417 /nfs/dbraw/zinc/87/34/17/573873417.db2.gz UXQFWSKQXKNAGA-VXNVDRBHSA-N 0 0 167.208 1.329 10 0 ADAERN Cn1ccc(C[Si](C)(C)C)n1 238549723 573873425 /nfs/dbraw/zinc/87/34/25/573873425.db2.gz PQDDHZONLBVFDW-UHFFFAOYSA-N 0 0 168.316 1.840 10 0 ADAERN c1cc([C@H]2C[NH2+]C[C@@H](C3CC3)O2)co1 87290826 573873428 /nfs/dbraw/zinc/87/34/28/573873428.db2.gz PLDKFCWKNZOFBC-WDEREUQCSA-N 0 0 193.246 1.719 10 0 ADAERN CC(=O)OCc1ccc(O)c(C)c1 238172589 573873439 /nfs/dbraw/zinc/87/34/39/573873439.db2.gz JHZZTTGAXFUVNL-UHFFFAOYSA-N 0 0 180.203 1.764 10 0 ADAERN C/C=C\C(=O)Nc1ccc(N)nc1 212946849 573873452 /nfs/dbraw/zinc/87/34/52/573873452.db2.gz ZYICRXMIWYIWAJ-IHWYPQMZSA-N 0 0 177.207 1.178 10 0 ADAERN Cc1coc2c1[C@@H](O)CCC2 238549711 573873474 /nfs/dbraw/zinc/87/34/74/573873474.db2.gz PRHWPXBPTICXSY-ZETCQYMHSA-N 0 0 152.193 1.958 10 0 ADAERN CC[C@@H](C)CN(C)C=O 80026917 573873477 /nfs/dbraw/zinc/87/34/77/573873477.db2.gz KYJMPHWVYLRLGA-SSDOTTSWSA-N 0 0 129.203 1.121 10 0 ADAERN CC(C)=C[C@]1(C)OC[C@@H](CO)O1 238172558 573873485 /nfs/dbraw/zinc/87/34/85/573873485.db2.gz NSQUNUNJEMZGBE-RKDXNWHRSA-N 0 0 172.224 1.077 10 0 ADAERN Cc1coc2nc(N)nc(Cl)c12 238550752 573873489 /nfs/dbraw/zinc/87/34/89/573873489.db2.gz PEHXIWLYXHMPRA-UHFFFAOYSA-N 0 0 183.598 1.767 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)COC=C2 238541347 573873528 /nfs/dbraw/zinc/87/35/28/573873528.db2.gz LDDOMJHDJJRYCB-UHFFFAOYSA-N 0 0 163.176 1.184 10 0 ADAERN Cc1nc2c(nc1C)SCC(=O)N2 238541047 573873537 /nfs/dbraw/zinc/87/35/37/573873537.db2.gz QTLNOONOFBPHDG-UHFFFAOYSA-N 0 0 195.247 1.138 10 0 ADAERN Cc1coc2cc(N)c(CO)cc12 238550432 573873549 /nfs/dbraw/zinc/87/35/49/573873549.db2.gz UMYRZXMHZVWCSS-UHFFFAOYSA-N 0 0 177.203 1.816 10 0 ADAERN C=C=C(C)[C@@H]1CCCC(=O)N1 238163265 573873567 /nfs/dbraw/zinc/87/35/67/573873567.db2.gz HBYYWXSQHBJBFO-QMMMGPOBSA-N 0 0 151.209 1.386 10 0 ADAERN Cc1coc(S(=O)(=O)C(C)C)n1 257895491 573873578 /nfs/dbraw/zinc/87/35/78/573873578.db2.gz NBWKRZNCLRAUNE-UHFFFAOYSA-N 0 0 189.236 1.165 10 0 ADAERN Cc1cnn(C)c1OCC(C)(C)CO 308459685 573873591 /nfs/dbraw/zinc/87/35/91/573873591.db2.gz FUZYTSCXIGZYTP-UHFFFAOYSA-N 0 0 198.266 1.126 10 0 ADAERN CONC(=O)NCCC1(F)CCC1 308460813 573873768 /nfs/dbraw/zinc/87/37/68/573873768.db2.gz HITDVUQTERICAO-UHFFFAOYSA-N 0 0 190.218 1.129 10 0 ADAERN CC(=O)c1cc(-c2cccnc2)[nH]n1 258441612 573873608 /nfs/dbraw/zinc/87/36/08/573873608.db2.gz GOMATLZITKVCPO-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN CCOCC[C@H](C[C@@H](C)CC)NN 131433734 573873625 /nfs/dbraw/zinc/87/36/25/573873625.db2.gz GQGHWJQHJLXASM-VHSXEESVSA-N 0 0 188.315 1.681 10 0 ADAERN CSC[C@H](C)[NH2+]C[C@H](C)C(=O)[O-] 127486503 573873771 /nfs/dbraw/zinc/87/37/71/573873771.db2.gz PLNQGHXLHCKOML-BQBZGAKWSA-N 0 0 191.296 1.048 10 0 ADAERN CCCc1ccnc(CC(C)=O)n1 258977130 573873656 /nfs/dbraw/zinc/87/36/56/573873656.db2.gz AXOJLTGFOIFILX-UHFFFAOYSA-N 0 0 178.235 1.561 10 0 ADAERN Cc1cc(N)n([C@H](C)c2ccoc2)n1 87290548 573873660 /nfs/dbraw/zinc/87/36/60/573873660.db2.gz JTIRJLCVQKYSDR-MRVPVSSYSA-N 0 0 191.234 1.976 10 0 ADAERN CCC[C@]1(C)OC[C@H](CCO)O1 258442009 573873731 /nfs/dbraw/zinc/87/37/31/573873731.db2.gz CQCARMLTSQWWEA-DTWKUNHWSA-N 0 0 174.240 1.301 10 0 ADAERN CC(C)[C@H](C)CN(C)C=O 79977925 573873677 /nfs/dbraw/zinc/87/36/77/573873677.db2.gz YDVVMACPHMHUTN-MRVPVSSYSA-N 0 0 143.230 1.367 10 0 ADAERN CCC[C@H](O)[C@H]1C[C@@H]1OCC 689893846 573873682 /nfs/dbraw/zinc/87/36/82/573873682.db2.gz QUSHFCICMULCRJ-VGMNWLOBSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1cnn([C@@H](C)c2ccoc2)c1N 87290545 573873700 /nfs/dbraw/zinc/87/37/00/573873700.db2.gz BJUXLKMDQQEVHY-QMMMGPOBSA-N 0 0 191.234 1.976 10 0 ADAERN O=C(CO)[C@H]1CCc2ccccc21 101572788 573873702 /nfs/dbraw/zinc/87/37/02/573873702.db2.gz SRCKZLWEQDVUOI-JTQLQIEISA-N 0 0 176.215 1.278 10 0 ADAERN O[C@@H]1CCC[C@H](F)C1 76570950 573874811 /nfs/dbraw/zinc/87/48/11/573874811.db2.gz XVHYGZFXBBUDTA-NTSWFWBYSA-N 0 0 118.151 1.259 10 0 ADAERN CCC1(c2nc(N)n[nH]2)CCCC1 87315931 573874747 /nfs/dbraw/zinc/87/47/47/573874747.db2.gz MIPRXVXMQHLZNX-UHFFFAOYSA-N 0 0 180.255 1.609 10 0 ADAERN Cn1ccc2nc(Cl)nc(N)c21 238552333 573874750 /nfs/dbraw/zinc/87/47/50/573874750.db2.gz COFVYBZUBPWZKR-UHFFFAOYSA-N 0 0 182.614 1.204 10 0 ADAERN CC(C)OC1=NC(Cl)C=CC=N1 238164677 573874767 /nfs/dbraw/zinc/87/47/67/573874767.db2.gz LBPPPMFEHHUUNX-UHFFFAOYSA-N 0 0 186.642 1.965 10 0 ADAERN C[C@@H](c1ccoc1)[C@@H]1CC(=O)NC1=O 87307792 573874794 /nfs/dbraw/zinc/87/47/94/573874794.db2.gz BXUZHTDABSXVET-XPUUQOCRSA-N 0 0 193.202 1.046 10 0 ADAERN C[C@@H]1CCCn2cc(CCCO)nc21 258441372 573874708 /nfs/dbraw/zinc/87/47/08/573874708.db2.gz PBOXSYIRVUVYIR-SECBINFHSA-N 0 0 194.278 1.705 10 0 ADAERN C[N@@H+]1CCCC[C@H]1Cn1cc([O-])cn1 257895551 573874709 /nfs/dbraw/zinc/87/47/09/573874709.db2.gz HCQUGJGVTKFWLX-VIFPVBQESA-N 0 0 195.266 1.073 10 0 ADAERN COC(=O)/C=C\C=C\[C@@H]1CCCOC1 258170110 573877063 /nfs/dbraw/zinc/87/70/63/573877063.db2.gz UIMNTLBJFXIARC-GAHXLBORSA-N 0 0 196.246 1.698 10 0 ADAERN C[C@H]1NCN(CCCCC2CC2)C1=O 716327912 573877066 /nfs/dbraw/zinc/87/70/66/573877066.db2.gz MQBYXPXVFDPJCA-SECBINFHSA-N 0 0 196.294 1.345 10 0 ADAERN COC(=O)C/C=C\C[C@@H]1CCCOC1 258170479 573877072 /nfs/dbraw/zinc/87/70/72/573877072.db2.gz LLGFXYUQRZMGCQ-MXQLGCADSA-N 0 0 198.262 1.922 10 0 ADAERN COCCc1cn2ccccc2n1 257895678 573877077 /nfs/dbraw/zinc/87/70/77/573877077.db2.gz HENXLQUIXIZKDZ-UHFFFAOYSA-N 0 0 176.219 1.523 10 0 ADAERN CC[C@@H](OC)c1nccc(C(C)=O)n1 308460537 573877108 /nfs/dbraw/zinc/87/71/08/573877108.db2.gz DDKVQINKMCWQIK-SECBINFHSA-N 0 0 194.234 1.777 10 0 ADAERN Cc1csc(CC(=O)OS)n1 238552331 573876645 /nfs/dbraw/zinc/87/66/45/573876645.db2.gz DNBHDDNAVHEMJN-UHFFFAOYSA-N 0 0 189.261 1.382 10 0 ADAERN C[NH2+][C@@H]([C@@H](C)C(=O)[O-])C(C)(C)C 259217452 573876492 /nfs/dbraw/zinc/87/64/92/573876492.db2.gz FYLHZQKLEDBCST-RQJHMYQMSA-N 0 0 173.256 1.341 10 0 ADAERN Cc1ccc(C(=S)NC=O)cc1 238552066 573876514 /nfs/dbraw/zinc/87/65/14/573876514.db2.gz LDDKZTBJMPGSPV-UHFFFAOYSA-N 0 0 179.244 1.417 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]2CCC(=O)[C@@]21C 238176087 573876526 /nfs/dbraw/zinc/87/65/26/573876526.db2.gz NOUGEDLDCAZAPF-NRPADANISA-N 0 0 166.220 1.581 10 0 ADAERN Cc1nn(C)c2c1[C@@H](C(C)C)[NH2+]CC2 238176148 573876559 /nfs/dbraw/zinc/87/65/59/573876559.db2.gz XVDJNMXVIXFPCQ-LLVKDONJSA-N 0 0 193.294 1.571 10 0 ADAERN CC(=O)S/C=C/C[C@@H](C)CO 238368919 573876582 /nfs/dbraw/zinc/87/65/82/573876582.db2.gz BDAMRNPVYZKJGC-OHCKJTPYSA-N 0 0 174.265 1.798 10 0 ADAERN Cc1csc(CC(N)=O)c1C 238552350 573876587 /nfs/dbraw/zinc/87/65/87/573876587.db2.gz FZDOJMBPVBQALN-UHFFFAOYSA-N 0 0 169.249 1.393 10 0 ADAERN CC1(C)O[C@H](O)C(C)(C)CC1=O 238176462 573876596 /nfs/dbraw/zinc/87/65/96/573876596.db2.gz DVNVLBQEZBAPSE-ZETCQYMHSA-N 0 0 172.224 1.099 10 0 ADAERN Cc1nc(NC(C)C)nc(C)c1N 238165609 573876616 /nfs/dbraw/zinc/87/66/16/573876616.db2.gz UJYQPBDSLNEQDX-UHFFFAOYSA-N 0 0 180.255 1.496 10 0 ADAERN CC(C)Nc1ccon1 76571395 573876654 /nfs/dbraw/zinc/87/66/54/573876654.db2.gz FMBJHFYPHNKUJK-UHFFFAOYSA-N 0 0 126.159 1.495 10 0 ADAERN CN1C[C@@H](c2ccccn2)N(C)C1=O 259218328 573876668 /nfs/dbraw/zinc/87/66/68/573876668.db2.gz BUXQSVNAVWYBRS-VIFPVBQESA-N 0 0 191.234 1.120 10 0 ADAERN Nc1ccc2c(CO)c[nH]c2c1 257895454 573876688 /nfs/dbraw/zinc/87/66/88/573876688.db2.gz AMZMJEMGMBJRPM-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]1(C)c1ccoc1 87307979 573876719 /nfs/dbraw/zinc/87/67/19/573876719.db2.gz NHCAQGQQWXBFNG-GXSJLCMTSA-N 0 0 193.246 1.836 10 0 ADAERN O=C1NC[C@]2(F)C[C@]12c1ccccc1 238551700 573876733 /nfs/dbraw/zinc/87/67/33/573876733.db2.gz GOBHECZXUIQAAF-MNOVXSKESA-N 0 0 191.205 1.166 10 0 ADAERN CC(=O)c1cnc(-c2cccnc2)o1 257895109 573876734 /nfs/dbraw/zinc/87/67/34/573876734.db2.gz BIYAYDNDEVSEJO-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN CC1(c2nnc(N)o2)CCCC1 87315936 573877150 /nfs/dbraw/zinc/87/71/50/573877150.db2.gz GKQBXUDFURLCCA-UHFFFAOYSA-N 0 0 167.212 1.484 10 0 ADAERN NC(=O)c1cccc2c1CCCS2 238555937 573876762 /nfs/dbraw/zinc/87/67/62/573876762.db2.gz YCFFXPPZEXLPQZ-UHFFFAOYSA-N 0 0 193.271 1.824 10 0 ADAERN Cc1csc(=S)[nH]c1=O 238551875 573876771 /nfs/dbraw/zinc/87/67/71/573876771.db2.gz ICNOPOGGYHRGNK-UHFFFAOYSA-N 0 0 159.235 1.474 10 0 ADAERN CC(=O)[C@@H]1CCc2occc2C1 238175788 573876785 /nfs/dbraw/zinc/87/67/85/573876785.db2.gz PPMGLGOJHQATLF-MRVPVSSYSA-N 0 0 164.204 1.974 10 0 ADAERN CC/C=C/COC(=O)c1cnns1 308460198 573876817 /nfs/dbraw/zinc/87/68/17/573876817.db2.gz HCCBEYVQVXHJJH-ONEGZZNKSA-N 0 0 198.247 1.661 10 0 ADAERN CC1(C)CC(=O)C(C)(C)N1N=O 238176400 573876837 /nfs/dbraw/zinc/87/68/37/573876837.db2.gz HHSWWAOURJIFHZ-UHFFFAOYSA-N 0 0 170.212 1.500 10 0 ADAERN COC(=O)[C@]1(c2ccc[nH]2)CC1(C)C 258981021 573876853 /nfs/dbraw/zinc/87/68/53/573876853.db2.gz JOLIQACQZRNWIE-LLVKDONJSA-N 0 0 193.246 1.855 10 0 ADAERN c1ncc(CNCc2cncs2)o1 131452699 573876857 /nfs/dbraw/zinc/87/68/57/573876857.db2.gz FIBSCMPINKLYLW-UHFFFAOYSA-N 0 0 195.247 1.421 10 0 ADAERN Clc1cc(-n2cccc2)ncn1 238552558 573877037 /nfs/dbraw/zinc/87/70/37/573877037.db2.gz JYUUHVAKGOVGAE-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN C[C@H](O)Cc1cc(F)ccc1N(C)C 258170966 573877038 /nfs/dbraw/zinc/87/70/38/573877038.db2.gz VSYDVYJPENIPMB-QMMMGPOBSA-N 0 0 197.253 1.815 10 0 ADAERN CCSc1nc(N)cn1C 257895642 573876908 /nfs/dbraw/zinc/87/69/08/573876908.db2.gz NFQAEINOCORIHO-UHFFFAOYSA-N 0 0 157.242 1.114 10 0 ADAERN CC[C@H]1NC(=O)C[C@]1(C)c1ccoc1 87307978 573876922 /nfs/dbraw/zinc/87/69/22/573876922.db2.gz NHCAQGQQWXBFNG-MWLCHTKSSA-N 0 0 193.246 1.836 10 0 ADAERN CCSC1(CO)CC1 259217947 573876924 /nfs/dbraw/zinc/87/69/24/573876924.db2.gz MAKLFNIXSLSXTF-UHFFFAOYSA-N 0 0 132.228 1.264 10 0 ADAERN O=Cc1cc(-c2ccoc2)[nH]n1 87307520 573877042 /nfs/dbraw/zinc/87/70/42/573877042.db2.gz LMRSRVNMNLZWQR-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN Cc1ccc([C@H]2NCCO2)o1 258170473 573876948 /nfs/dbraw/zinc/87/69/48/573876948.db2.gz RLWDEUAGOOXBHM-QMMMGPOBSA-N 0 0 153.181 1.206 10 0 ADAERN O[C@H]1CC[C@@H]2CC[C@H]2C1 76571406 573876986 /nfs/dbraw/zinc/87/69/86/573876986.db2.gz WKNYPGYKMKZIEY-FXQIFTODSA-N 0 0 126.199 1.557 10 0 ADAERN CCCc1ccc(C(=O)C(N)=O)cc1 259217608 573877009 /nfs/dbraw/zinc/87/70/09/573877009.db2.gz TXBLGPUWCWJQCN-UHFFFAOYSA-N 0 0 191.230 1.307 10 0 ADAERN Cc1cc([C@H](NN)C(C)(C)C)ccn1 235756891 573877015 /nfs/dbraw/zinc/87/70/15/573877015.db2.gz JLLTXLCVZYUNAW-JTQLQIEISA-N 0 0 193.294 1.941 10 0 ADAERN Nc1cc(-c2ccc(O)cc2O)no1 258171049 573877026 /nfs/dbraw/zinc/87/70/26/573877026.db2.gz VUOKRSPPZPSMEA-UHFFFAOYSA-N 0 0 192.174 1.335 10 0 ADAERN CC(=O)[C@H](C)NC(=O)NC1CCCC1 87312533 573877029 /nfs/dbraw/zinc/87/70/29/573877029.db2.gz NFIHTDHAUZAHRE-ZETCQYMHSA-N 0 0 198.266 1.206 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccoc2)C[S@@]1=O 87307707 573879039 /nfs/dbraw/zinc/87/90/39/573879039.db2.gz IAQXWPPPJGBHEA-HUQFOHBGSA-N 0 0 199.275 1.061 10 0 ADAERN Cc1cn(-c2ccccc2)c(C=O)n1 238551579 573877153 /nfs/dbraw/zinc/87/71/53/573877153.db2.gz UJCXYUFRPVISQA-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN CC/C=C\C(=O)O[C@H](C)C(=O)CC 308460098 573877156 /nfs/dbraw/zinc/87/71/56/573877156.db2.gz HBULFJYYTJCQIK-NFXKFNAJSA-N 0 0 184.235 1.863 10 0 ADAERN CCC[C@@H](C)[C@@H](O)c1ccncn1 233282566 573879040 /nfs/dbraw/zinc/87/90/40/573879040.db2.gz ACZMDIZIWAJNGZ-PSASIEDQSA-N 0 0 180.251 1.946 10 0 ADAERN COC(=O)/C=C\C=C\[C@H]1CCCOC1 258170112 573879127 /nfs/dbraw/zinc/87/91/27/573879127.db2.gz UIMNTLBJFXIARC-KLXRSEBVSA-N 0 0 196.246 1.698 10 0 ADAERN CCc1ccc(ON)cc1 76573510 573879146 /nfs/dbraw/zinc/87/91/46/573879146.db2.gz JPFOGRHBYGGIOH-UHFFFAOYSA-N 0 0 137.182 1.502 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]2C[C@@H]21 238176247 573879148 /nfs/dbraw/zinc/87/91/48/573879148.db2.gz BIXJPMLZFYZDJE-VQVTYTSYSA-N 0 0 110.156 1.231 10 0 ADAERN CC1(C)CC[C@H](O)CN1C(=O)C1CC1 258980782 573879045 /nfs/dbraw/zinc/87/90/45/573879045.db2.gz ASXCSANYDMGUKF-VIFPVBQESA-N 0 0 197.278 1.158 10 0 ADAERN Cc1cn2c(C)nc(CO)c2o1 238553202 573879053 /nfs/dbraw/zinc/87/90/53/573879053.db2.gz ZQAZORJRFNCPRP-UHFFFAOYSA-N 0 0 166.180 1.036 10 0 ADAERN CO[C@H](C)C(=O)[C@H]1CCCOC1 225027231 573879058 /nfs/dbraw/zinc/87/90/58/573879058.db2.gz KZWPIPYKWDSZAN-SFYZADRCSA-N 0 0 172.224 1.017 10 0 ADAERN COC(=O)[C@@](N)(CC(C)C)[C@H](C)F 257891806 573879063 /nfs/dbraw/zinc/87/90/63/573879063.db2.gz XFWFFZHZBYDWHY-IONNQARKSA-N 0 0 191.246 1.261 10 0 ADAERN CCc1cc(=O)c2c([nH]1)CCCN2 80163336 573879106 /nfs/dbraw/zinc/87/91/06/573879106.db2.gz ZMNPEHOIMXXBIP-UHFFFAOYSA-N 0 0 178.235 1.295 10 0 ADAERN C[NH+](C)C(C)(C)C(=O)[C@H]1CCCOC1 225023826 573879111 /nfs/dbraw/zinc/87/91/11/573879111.db2.gz CFXFKTCQDFZENJ-VIFPVBQESA-N 0 0 199.294 1.322 10 0 ADAERN CN(CO)c1ccc(F)c(Cl)c1 258980275 573879112 /nfs/dbraw/zinc/87/91/12/573879112.db2.gz WHLCYLXGVSUTHT-UHFFFAOYSA-N 0 0 189.617 1.865 10 0 ADAERN C[C@@H]1CNC(=O)N(C2CCCC2)C1=O 87312852 573879114 /nfs/dbraw/zinc/87/91/14/573879114.db2.gz ONZIPIZERLPXNF-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN CC(=O)N(C)[C@@H]1CC[C@@H](C)OC1 402362288 573879117 /nfs/dbraw/zinc/87/91/17/573879117.db2.gz DEGOPSCOPVMWEK-VXNVDRBHSA-N 0 0 171.240 1.032 10 0 ADAERN CC1(O)CCC(CCO)CC1 238176319 573878767 /nfs/dbraw/zinc/87/87/67/573878767.db2.gz GRLYZCBIETWTTD-UHFFFAOYSA-N 0 0 158.241 1.310 10 0 ADAERN CCc1oc(CO)nc1C1CCC1 257892496 573878770 /nfs/dbraw/zinc/87/87/70/573878770.db2.gz NPZZKSMMTNEUBD-UHFFFAOYSA-N 0 0 181.235 1.997 10 0 ADAERN CCCc1cn2c(n1)C[C@H](O)CC2 258518571 573878773 /nfs/dbraw/zinc/87/87/73/573878773.db2.gz RUEFHHWHFSUHOQ-SECBINFHSA-N 0 0 180.251 1.143 10 0 ADAERN NNC1CC(OCc2ccccc2)C1 257891896 573878775 /nfs/dbraw/zinc/87/87/75/573878775.db2.gz XHXKIVCPUMBUFX-UHFFFAOYSA-N 0 0 192.262 1.198 10 0 ADAERN CC(=O)[C@@H]1C[C@H](F)[C@]2(C)O[C@@H]2C1 238176307 573878799 /nfs/dbraw/zinc/87/87/99/573878799.db2.gz MBVZEZNQTRAAFB-XAVMHZPKSA-N 0 0 172.199 1.481 10 0 ADAERN CC1=CC[C@@]2(C)CC(=O)[C@H]12 101829470 573878803 /nfs/dbraw/zinc/87/88/03/573878803.db2.gz BGLAHPXYFCYGTG-IUCAKERBSA-N 0 0 136.194 1.932 10 0 ADAERN CC1(C)C[C@](O)(C(C)(C)C)C1=O 238165762 573878806 /nfs/dbraw/zinc/87/88/06/573878806.db2.gz KMCOVRWZMVKRBS-SNVBAGLBSA-N 0 0 170.252 1.763 10 0 ADAERN CCOC(=O)CN(C)c1cccnc1 259218653 573878825 /nfs/dbraw/zinc/87/88/25/573878825.db2.gz XOSULUDPQWPBQO-UHFFFAOYSA-N 0 0 194.234 1.081 10 0 ADAERN O=CNc1nccc2ccccc12 101694987 573878838 /nfs/dbraw/zinc/87/88/38/573878838.db2.gz WPNJPIZWCHEDCT-UHFFFAOYSA-N 0 0 172.187 1.803 10 0 ADAERN Cc1cc(CNC=O)cc(C)c1F 87315168 573878855 /nfs/dbraw/zinc/87/88/55/573878855.db2.gz RNDPMNVSLGCSIA-UHFFFAOYSA-N 0 0 181.210 1.689 10 0 ADAERN CC1=C[C@@H](O)C[C@]2(CCCCO2)O1 238176593 573878857 /nfs/dbraw/zinc/87/88/57/573878857.db2.gz PQKJSMNPGAQEBV-ZJUUUORDSA-N 0 0 184.235 1.568 10 0 ADAERN Cn1cncc1C(=O)[C@@H]1CCCOC1 225032565 573878863 /nfs/dbraw/zinc/87/88/63/573878863.db2.gz YNKHVNBXKFRWGM-MRVPVSSYSA-N 0 0 194.234 1.029 10 0 ADAERN CC1(C)CCC[C@H](NC=O)C1 80085049 573878874 /nfs/dbraw/zinc/87/88/74/573878874.db2.gz WFDVKMFACFRYLT-QMMMGPOBSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@]1(C(N)=O)CC1(Cl)Cl 101682098 573878921 /nfs/dbraw/zinc/87/89/21/573878921.db2.gz IKMBXSNZBCGRAE-SCSAIBSYSA-N 0 0 168.023 1.056 10 0 ADAERN CC(C)Oc1cnc2[nH]nc(N)c2c1 238176481 573878922 /nfs/dbraw/zinc/87/89/22/573878922.db2.gz LJBBVNBAMRKQKC-UHFFFAOYSA-N 0 0 192.222 1.327 10 0 ADAERN CC(C)[N@H+](C)Cc1cc(N)no1 259217899 573878924 /nfs/dbraw/zinc/87/89/24/573878924.db2.gz LZJFRIXJJXEOBS-UHFFFAOYSA-N 0 0 169.228 1.097 10 0 ADAERN CC(C)[C@@H]1[C@H](C(=O)[O-])CCCC[N@@H+]1C 238176387 573878938 /nfs/dbraw/zinc/87/89/38/573878938.db2.gz KXELTXGMIKSJPH-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN OCc1nc(-c2ccoc2)cs1 87307598 573878948 /nfs/dbraw/zinc/87/89/48/573878948.db2.gz ZSJBKMCGVFAWSQ-UHFFFAOYSA-N 0 0 181.216 1.895 10 0 ADAERN C[C@@H]1Cc2cc(CCO)ccc2N1C 258170954 573878949 /nfs/dbraw/zinc/87/89/49/573878949.db2.gz SAUQNTVGQOXMKD-SECBINFHSA-N 0 0 191.274 1.602 10 0 ADAERN COC(=O)c1nc(C(C)(C)C)c[nH]1 259218669 573878956 /nfs/dbraw/zinc/87/89/56/573878956.db2.gz ZCUDZCJSFVTFLK-UHFFFAOYSA-N 0 0 182.223 1.494 10 0 ADAERN CC(C)[C@H]1[NH2+]C[C@@H](C)C[C@@H]1C(=O)[O-] 238176434 573878968 /nfs/dbraw/zinc/87/89/68/573878968.db2.gz IVYIHMRGCXTLJU-XHNCKOQMSA-N 0 0 185.267 1.341 10 0 ADAERN OCNc1cc(F)ccc1F 258980342 573878976 /nfs/dbraw/zinc/87/89/76/573878976.db2.gz WJDVDXHQELZHJH-UHFFFAOYSA-N 0 0 159.135 1.327 10 0 ADAERN O=C1C[C@H]2C=C[C@@]2(Cl)C1 238556089 573878992 /nfs/dbraw/zinc/87/89/92/573878992.db2.gz QBCZYFMKYVIGRN-IYSWYEEDSA-N 0 0 142.585 1.513 10 0 ADAERN CC(=O)c1cc(C)c2nc(C)[nH]c2n1 238165808 573879000 /nfs/dbraw/zinc/87/90/00/573879000.db2.gz GFIAFTWRENEDJO-UHFFFAOYSA-N 0 0 189.218 1.777 10 0 ADAERN Cc1ncc(NC2CC2)cn1 76577866 573879011 /nfs/dbraw/zinc/87/90/11/573879011.db2.gz ZXRNGXPCTGAKHY-UHFFFAOYSA-N 0 0 149.197 1.359 10 0 ADAERN Cc1ccsc1CNC=O 87311485 573879027 /nfs/dbraw/zinc/87/90/27/573879027.db2.gz YKGIJSLMTZBWJB-UHFFFAOYSA-N 0 0 155.222 1.303 10 0 ADAERN Cc1ccc(C(=O)C(N)=O)c(C)c1C 259217775 573879038 /nfs/dbraw/zinc/87/90/38/573879038.db2.gz UALBPFMFOCGNGI-UHFFFAOYSA-N 0 0 191.230 1.280 10 0 ADAERN CC(C)(C(=O)[O-])C1(F)CC[NH2+]CC1 257891888 573879168 /nfs/dbraw/zinc/87/91/68/573879168.db2.gz XHNXIDPVLSMKRB-UHFFFAOYSA-N 0 0 189.230 1.189 10 0 ADAERN O=S1(=O)C=Cc2c(F)cccc21 238554019 573881650 /nfs/dbraw/zinc/88/16/50/573881650.db2.gz KDEDPJUULUSNRT-UHFFFAOYSA-N 0 0 184.191 1.584 10 0 ADAERN Cc1cccc(CN(C)C(N)=S)n1 87331077 573880301 /nfs/dbraw/zinc/88/03/01/573880301.db2.gz RCCATBGHHFBHLS-UHFFFAOYSA-N 0 0 195.291 1.065 10 0 ADAERN NO[C@H](CCO)c1cccc(F)c1 257892432 573880309 /nfs/dbraw/zinc/88/03/09/573880309.db2.gz NNOYQVUKVZBRCN-SECBINFHSA-N 0 0 185.198 1.140 10 0 ADAERN C[C@@H](CC[C@@H](C)O)[C@@H](C)O 80170520 573880315 /nfs/dbraw/zinc/88/03/15/573880315.db2.gz VWRMHWAYIOHUNG-XLPZGREQSA-N 0 0 146.230 1.164 10 0 ADAERN COC1(C(=O)[C@H]2CCCOC2)CCC1 225034460 573880327 /nfs/dbraw/zinc/88/03/27/573880327.db2.gz VPYONQZQFRQDJA-VIFPVBQESA-N 0 0 198.262 1.551 10 0 ADAERN CNc1nc(C)cc(-c2cc[nH]c2)n1 258981182 573879953 /nfs/dbraw/zinc/87/99/53/573879953.db2.gz BIBDCHWEHVZQOU-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN CC(C)N1C(=O)Cc2ccc(O)cc21 258171096 573879956 /nfs/dbraw/zinc/87/99/56/573879956.db2.gz SCBOAEJECXREBA-UHFFFAOYSA-N 0 0 191.230 1.690 10 0 ADAERN CC[C@@H]1CSCC1=O 76572876 573879994 /nfs/dbraw/zinc/87/99/94/573879994.db2.gz YVTDCKUOWIAGDW-RXMQYKEDSA-N 0 0 130.212 1.329 10 0 ADAERN COC(=O)C1(Cc2cc[nH]c2)CC1 259217604 573880007 /nfs/dbraw/zinc/88/00/07/573880007.db2.gz TWUIMYPNMIOHTN-UHFFFAOYSA-N 0 0 179.219 1.510 10 0 ADAERN CNC(=O)c1ccc(C)cc1NC 87332089 573880015 /nfs/dbraw/zinc/88/00/15/573880015.db2.gz USSAPVMSULEKKS-UHFFFAOYSA-N 0 0 178.235 1.396 10 0 ADAERN Cc1ccn2c(=O)c(N)ccc2c1 257895866 573880016 /nfs/dbraw/zinc/88/00/16/573880016.db2.gz OEFNNPLEHOASPO-UHFFFAOYSA-N 0 0 174.203 1.190 10 0 ADAERN Cc1nc(N)nnc1-c1ccccc1 238553899 573880039 /nfs/dbraw/zinc/88/00/39/573880039.db2.gz QHRKGMGDVTVOOK-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN COc1c(C)cc(F)cc1CCON 258171609 573880060 /nfs/dbraw/zinc/88/00/60/573880060.db2.gz QBUZPGSHCZQSCC-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN C/C=C/C(=O)NC[C@H](C)CC 87333752 573880061 /nfs/dbraw/zinc/88/00/61/573880061.db2.gz FYJDXNBBIXOMDD-YZCDNWJKSA-N 0 0 155.241 1.725 10 0 ADAERN CC(C)C(F)(F)C[C@H]([NH3+])C(=O)[O-] 257892450 573880342 /nfs/dbraw/zinc/88/03/42/573880342.db2.gz NOAYGYPYXHIJJT-YFKPBYRVSA-N 0 0 181.182 1.080 10 0 ADAERN O=CC(=O)C1CCCCCC1 259217923 573880072 /nfs/dbraw/zinc/88/00/72/573880072.db2.gz JQMUTUSXVMCTAF-UHFFFAOYSA-N 0 0 154.209 1.725 10 0 ADAERN CCN(C=O)c1ccc(O)cc1 80080186 573880086 /nfs/dbraw/zinc/88/00/86/573880086.db2.gz KMPKUUAHJCPFKU-UHFFFAOYSA-N 0 0 165.192 1.375 10 0 ADAERN COC(=O)[C@H]1CNc2ccc(O)cc21 257891794 573880088 /nfs/dbraw/zinc/88/00/88/573880088.db2.gz XFUGDZCOZIKMSA-QMMMGPOBSA-N 0 0 193.202 1.074 10 0 ADAERN C[C@H](O)C[C@@H]1CCCC1=O 76575380 573880105 /nfs/dbraw/zinc/88/01/05/573880105.db2.gz CSWMSEDIIWLVMD-BQBZGAKWSA-N 0 0 142.198 1.127 10 0 ADAERN COc1ccc(C)cc1NCO 222418162 573880116 /nfs/dbraw/zinc/88/01/16/573880116.db2.gz HODDZAAGCBPMRA-UHFFFAOYSA-N 0 0 167.208 1.365 10 0 ADAERN CCCC[N@H+](CC(=O)[O-])C(C)(C)C 76581278 573880117 /nfs/dbraw/zinc/88/01/17/573880117.db2.gz WBISOVQWTTYAKO-UHFFFAOYSA-N 0 0 187.283 1.972 10 0 ADAERN Cc1ccc(-c2cc(N)no2)cc1O 258171092 573880141 /nfs/dbraw/zinc/88/01/41/573880141.db2.gz VVAMYWVQNZYXKD-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cccc(F)n1 122985075 573880146 /nfs/dbraw/zinc/88/01/46/573880146.db2.gz ZUCXXTCAXVQAAU-HTRCEHHLSA-N 0 0 194.209 1.359 10 0 ADAERN C/C=C/C(=O)NC[C@@H](C)CC 87333753 573880154 /nfs/dbraw/zinc/88/01/54/573880154.db2.gz FYJDXNBBIXOMDD-JQTRYQTASA-N 0 0 155.241 1.725 10 0 ADAERN CC[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1C 257892446 573880160 /nfs/dbraw/zinc/88/01/60/573880160.db2.gz NNZQIWGAHBNUQN-IUCAKERBSA-N 0 0 185.267 1.280 10 0 ADAERN C[C@H](CO)C[C@@H](C)[C@@H](C)O 101731948 573880169 /nfs/dbraw/zinc/88/01/69/573880169.db2.gz XTYRJOKNCLJXJF-XLPZGREQSA-N 0 0 146.230 1.022 10 0 ADAERN CCOC[C@](C)(O)C(C)(C)C 101821765 573880176 /nfs/dbraw/zinc/88/01/76/573880176.db2.gz RVAWLTHVEZPSIC-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN Cc1csc(N)c1C(N)=S 238552756 573880354 /nfs/dbraw/zinc/88/03/54/573880354.db2.gz UUQGRWBWVNGUDE-UHFFFAOYSA-N 0 0 172.278 1.273 10 0 ADAERN CCC1(c2nnc(CN)o2)CCCC1 87319011 573880191 /nfs/dbraw/zinc/88/01/91/573880191.db2.gz HHYFJWRUZZNLEF-UHFFFAOYSA-N 0 0 195.266 1.750 10 0 ADAERN CCOC(=O)c1cc(N)c(C)cc1F 87331341 573880208 /nfs/dbraw/zinc/88/02/08/573880208.db2.gz QEOHVCOAIBIULT-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN Cc1ncc2[nH]ccc2n1 76573192 573880213 /nfs/dbraw/zinc/88/02/13/573880213.db2.gz YAMSVLWOGCBDCA-UHFFFAOYSA-N 0 0 133.154 1.266 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CCC[C@@H]1OC 87333734 573880231 /nfs/dbraw/zinc/88/02/31/573880231.db2.gz SJZVKSBFZAPFEI-ZHBVTVBMSA-N 0 0 183.251 1.246 10 0 ADAERN COC(C)(C)C(=O)[C@@H]1CCCOC1 225026824 573880237 /nfs/dbraw/zinc/88/02/37/573880237.db2.gz XCXIMLDOJHUDMX-MRVPVSSYSA-N 0 0 186.251 1.407 10 0 ADAERN CC1=C[C@@H](c2ccccc2)C(=O)N1 238177481 573880238 /nfs/dbraw/zinc/88/02/38/573880238.db2.gz PXFAPCUKBMIRFA-JTQLQIEISA-N 0 0 173.215 1.804 10 0 ADAERN CO[C@H](C)C(=O)c1ccccn1 225036011 573880296 /nfs/dbraw/zinc/88/02/96/573880296.db2.gz MWTWULCIWIOROE-SSDOTTSWSA-N 0 0 165.192 1.299 10 0 ADAERN NC(=O)c1cccc(OC2CCC2)c1 238553660 573880243 /nfs/dbraw/zinc/88/02/43/573880243.db2.gz WIGYXBKEGFFLEQ-UHFFFAOYSA-N 0 0 191.230 1.717 10 0 ADAERN CC1=CC[C@]2(C)CC(=O)[C@H]12 101829474 573880249 /nfs/dbraw/zinc/88/02/49/573880249.db2.gz BGLAHPXYFCYGTG-DTWKUNHWSA-N 0 0 136.194 1.932 10 0 ADAERN CCC1(C(=O)C[NH3+])CCCC1 87330404 573880277 /nfs/dbraw/zinc/88/02/77/573880277.db2.gz MEBKFICDKMKDJO-UHFFFAOYSA-N 0 0 155.241 1.485 10 0 ADAERN Cc1c[nH]c(=O)c2cc(O)cc(O)c12 238553025 573880280 /nfs/dbraw/zinc/88/02/80/573880280.db2.gz GQGHIZYSGIHSSH-UHFFFAOYSA-N 0 0 191.186 1.248 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H]1CCCCO1 257892569 573881680 /nfs/dbraw/zinc/88/16/80/573881680.db2.gz NRUDZEDKPKUWIL-ZETCQYMHSA-N 0 0 181.239 1.542 10 0 ADAERN C/C=C/C(=O)N1C[C@@H](CC)CC1=O 87333878 573881682 /nfs/dbraw/zinc/88/16/82/573881682.db2.gz CQLVQMOIAMHQIM-WGAJWPLOSA-N 0 0 181.235 1.348 10 0 ADAERN Cc1ccc(C(C)(C)C(N)=O)c(O)c1 238552584 573881683 /nfs/dbraw/zinc/88/16/83/573881683.db2.gz CJDHVOKPFXCRFY-UHFFFAOYSA-N 0 0 193.246 1.464 10 0 ADAERN Cc1nc(C(C)C)n(CCO)c1C 238178844 573881691 /nfs/dbraw/zinc/88/16/91/573881691.db2.gz REQOQDWMMUGOEM-UHFFFAOYSA-N 0 0 182.267 1.616 10 0 ADAERN Cc1ccc(-c2nc(N)no2)c(F)c1 87332395 573881692 /nfs/dbraw/zinc/88/16/92/573881692.db2.gz SFJQXIIZPYIWFK-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN C=CS(=O)(=O)CCCCC 101791872 573881693 /nfs/dbraw/zinc/88/16/93/573881693.db2.gz GKRDUERMXXKTEG-UHFFFAOYSA-N 0 0 162.254 1.735 10 0 ADAERN O=c1[nH]cc(-c2cc[nH]c2)[nH]1 258985683 573882845 /nfs/dbraw/zinc/88/28/45/573882845.db2.gz AJCTVEMAAPEALH-UHFFFAOYSA-N 0 0 149.153 1.110 10 0 ADAERN Cc1cccc(OC[C@@H](C)C(N)=O)c1 41206228 573882855 /nfs/dbraw/zinc/88/28/55/573882855.db2.gz ZSWNLLJYORNFSS-SECBINFHSA-N 0 0 193.246 1.495 10 0 ADAERN Cc1ccc(NCOC(N)=O)cc1N 145034803 573882858 /nfs/dbraw/zinc/88/28/58/573882858.db2.gz HKVOHZDZSZLVHK-UHFFFAOYSA-N 0 0 195.222 1.042 10 0 ADAERN CC1(C)OC2(CCCC2)[C@H](O)C1=O 238178832 573882862 /nfs/dbraw/zinc/88/28/62/573882862.db2.gz DVEQHSZMVUOBAH-MRVPVSSYSA-N 0 0 184.235 1.038 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc(C2CC(O)C2)n1 84421389 573882865 /nfs/dbraw/zinc/88/28/65/573882865.db2.gz MSONSUGOOWATPU-CQRKAFIDSA-N 0 0 194.234 1.431 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@@H]2C[C@@H]2C(=O)[O-])o1 259579224 573881183 /nfs/dbraw/zinc/88/11/83/573881183.db2.gz ZBPPMPGSHGNLDM-BKPPORCPSA-N 0 0 195.218 1.309 10 0 ADAERN Cc1cccc2c1[C@@H]([C@H](C)O)CO2 258169766 573881186 /nfs/dbraw/zinc/88/11/86/573881186.db2.gz MGUUDRYHBXPMPV-DTWKUNHWSA-N 0 0 178.231 1.852 10 0 ADAERN CN(CO)Cc1cccc(F)c1 258982289 573881204 /nfs/dbraw/zinc/88/12/04/573881204.db2.gz WPBOYYKXIZUQSI-UHFFFAOYSA-N 0 0 169.199 1.207 10 0 ADAERN Cc1ccc([C@@H]2NCCO2)o1 258170463 573881205 /nfs/dbraw/zinc/88/12/05/573881205.db2.gz RLWDEUAGOOXBHM-MRVPVSSYSA-N 0 0 153.181 1.206 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)C1(C)CCCC1 87316718 573881226 /nfs/dbraw/zinc/88/12/26/573881226.db2.gz BWRNUGYZVZBJDY-MRVPVSSYSA-N 0 0 197.278 1.660 10 0 ADAERN c1ccc2c(c1)CNCC1=NCCN12 257892493 573881232 /nfs/dbraw/zinc/88/12/32/573881232.db2.gz NPURIOGSDHXPDS-UHFFFAOYSA-N 0 0 187.246 1.008 10 0 ADAERN C/C=C/C(=O)Nc1ccon1 87333718 573882900 /nfs/dbraw/zinc/88/29/00/573882900.db2.gz XRZZKBDJIDHAQQ-NSCUHMNNSA-N 0 0 152.153 1.189 10 0 ADAERN CC(C)(O)CCc1ccc(O)cc1O 238178454 573881236 /nfs/dbraw/zinc/88/12/36/573881236.db2.gz XFOGPNYWZNVHMT-UHFFFAOYSA-N 0 0 196.246 1.801 10 0 ADAERN CNOCc1ccc(C)s1 257892520 573881247 /nfs/dbraw/zinc/88/12/47/573881247.db2.gz GUGXVWAYFKUYFZ-UHFFFAOYSA-N 0 0 157.238 1.708 10 0 ADAERN O[C@H]1CCCc2c(Cl)ncn21 258170535 573881257 /nfs/dbraw/zinc/88/12/57/573881257.db2.gz ICBYIRUSRZVUES-LURJTMIESA-N 0 0 172.615 1.364 10 0 ADAERN CCn1c(C2CCC2)ccc(N)c1=O 257891903 573881262 /nfs/dbraw/zinc/88/12/62/573881262.db2.gz XICRWMGMEXVJKP-UHFFFAOYSA-N 0 0 192.262 1.718 10 0 ADAERN CO[C@@H](C)C(=O)[C@H]1CCCOC1 225027192 573881280 /nfs/dbraw/zinc/88/12/80/573881280.db2.gz KZWPIPYKWDSZAN-YUMQZZPRSA-N 0 0 172.224 1.017 10 0 ADAERN O=C([C@H]1CCCOC1)C(F)(F)Cl 225032807 573881289 /nfs/dbraw/zinc/88/12/89/573881289.db2.gz YOFNJDPORUJSNH-YFKPBYRVSA-N 0 0 198.596 1.814 10 0 ADAERN CC[C@@H](C(N)=O)c1ccc(C)cc1 80134246 573881300 /nfs/dbraw/zinc/88/13/00/573881300.db2.gz BPBCXLYDRJUYRV-SNVBAGLBSA-N 0 0 177.247 1.974 10 0 ADAERN O=C1CC[C@H]2CC=CC[C@@H]2N1 101674891 573881303 /nfs/dbraw/zinc/88/13/03/573881303.db2.gz AOZHYGYPDSGYSO-SFYZADRCSA-N 0 0 151.209 1.231 10 0 ADAERN Cc1c(N)n[nH]c1[C@H]1CCCCO1 257892566 573881319 /nfs/dbraw/zinc/88/13/19/573881319.db2.gz NRUDZEDKPKUWIL-SSDOTTSWSA-N 0 0 181.239 1.542 10 0 ADAERN Nc1oncc1[C@@H]1CCSC1 258519036 573881328 /nfs/dbraw/zinc/88/13/28/573881328.db2.gz MAODRBDOMBUTNH-RXMQYKEDSA-N 0 0 170.237 1.477 10 0 ADAERN O=C1C[C@@H]2CCS[C@@H]2C1 76575615 573881336 /nfs/dbraw/zinc/88/13/36/573881336.db2.gz QWIONEXECBHDMF-CAHLUQPWSA-N 0 0 142.223 1.471 10 0 ADAERN CC1(C)OC(c2ccc(CO)cc2)O1 238178685 573881357 /nfs/dbraw/zinc/88/13/57/573881357.db2.gz CVTNOQWFUXUPGX-UHFFFAOYSA-N 0 0 194.230 1.960 10 0 ADAERN Cc1cn2c(C(C)(C)C)nnc2[nH]1 238552923 573881364 /nfs/dbraw/zinc/88/13/64/573881364.db2.gz LXVRRLQBZIFROM-UHFFFAOYSA-N 0 0 178.239 1.663 10 0 ADAERN Cc1c[nH]c(=O)c(CC(C)C)n1 238177908 573881365 /nfs/dbraw/zinc/88/13/65/573881365.db2.gz GTBRQZRHIJJRLW-UHFFFAOYSA-N 0 0 166.224 1.277 10 0 ADAERN C=C/C(Cl)=C/[C@@H](C)CO 393567604 573881369 /nfs/dbraw/zinc/88/13/69/573881369.db2.gz RNECFPDMQDGRJF-CDXJMXTPSA-N 0 0 146.617 1.924 10 0 ADAERN Cc1[nH+]c(N)nc(N)c1C(C)(C)C 238552644 573881370 /nfs/dbraw/zinc/88/13/70/573881370.db2.gz DVJQNSSRIAXDPI-UHFFFAOYSA-N 0 0 180.255 1.247 10 0 ADAERN CC(=O)Cc1ccc(CCCO)cc1 259579398 573881379 /nfs/dbraw/zinc/88/13/79/573881379.db2.gz XZYKBLXWTBHZSL-UHFFFAOYSA-N 0 0 192.258 1.743 10 0 ADAERN CC1(C)OC(=O)[C@H]2NCCCC[C@H]21 238177802 573881653 /nfs/dbraw/zinc/88/16/53/573881653.db2.gz NHNQGFQGXVXCPZ-SFYZADRCSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)[C@H]1OC(=S)O[C@H]1C 238178351 573881453 /nfs/dbraw/zinc/88/14/53/573881453.db2.gz RBCXDSLVQIFQDQ-NTSWFWBYSA-N 0 0 160.238 1.731 10 0 ADAERN CC(=O)N(C)[C@@H]1CC[C@H](C)OC1 402362286 573881454 /nfs/dbraw/zinc/88/14/54/573881454.db2.gz DEGOPSCOPVMWEK-IONNQARKSA-N 0 0 171.240 1.032 10 0 ADAERN CC(=O)c1cnc(CC(C)C)nc1 238178941 573881457 /nfs/dbraw/zinc/88/14/57/573881457.db2.gz QVBQNVRBYCCSOV-UHFFFAOYSA-N 0 0 178.235 1.878 10 0 ADAERN COC(=O)CNCC(C)(C)C1CCC1 258980279 573881466 /nfs/dbraw/zinc/88/14/66/573881466.db2.gz WHQGKGRNAOWRFC-UHFFFAOYSA-N 0 0 199.294 1.575 10 0 ADAERN Cc1cccc(Cc2ccc(N)nn2)c1 259579401 573881482 /nfs/dbraw/zinc/88/14/82/573881482.db2.gz YAEUJDPBCUBPKX-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN CC(F)(F)CO[C@@H]1C[C@@H](O)C1(C)C 642835652 573881485 /nfs/dbraw/zinc/88/14/85/573881485.db2.gz FAKSCEFCHLWTGH-RNFRBKRXSA-N 0 0 194.221 1.818 10 0 ADAERN CCCC[C@H](CC)CS(N)(=O)=O 43455574 573881511 /nfs/dbraw/zinc/88/15/11/573881511.db2.gz OPIWMMDGBATKTL-QMMMGPOBSA-N 0 0 193.312 1.491 10 0 ADAERN CCNc1cc(C)ccc1C(=O)NC 87332085 573881513 /nfs/dbraw/zinc/88/15/13/573881513.db2.gz GMBPNWJTSRNNFH-UHFFFAOYSA-N 0 0 192.262 1.786 10 0 ADAERN Nc1cnncc1-c1cccc(F)c1 257892587 573881526 /nfs/dbraw/zinc/88/15/26/573881526.db2.gz GVLIGLLJVIYKFG-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CCCc1cc(N)cn1C 76573726 573881668 /nfs/dbraw/zinc/88/16/68/573881668.db2.gz LOTSNTNFLRPQDN-UHFFFAOYSA-N 0 0 138.214 1.560 10 0 ADAERN O=C1OCc2cnc(Cl)cc21 238553229 573881531 /nfs/dbraw/zinc/88/15/31/573881531.db2.gz YVWDQUMYGOSHLL-UHFFFAOYSA-N 0 0 169.567 1.405 10 0 ADAERN Cc1ccccc1CC(F)(F)C(N)=O 258170103 573881534 /nfs/dbraw/zinc/88/15/34/573881534.db2.gz UIIPXAOBOXEDEH-UHFFFAOYSA-N 0 0 199.200 1.658 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(F)n1 122984601 573881538 /nfs/dbraw/zinc/88/15/38/573881538.db2.gz ZUCXXTCAXVQAAU-SVRRBLITSA-N 0 0 194.209 1.359 10 0 ADAERN CC(=O)N(C)[C@H]1CC[C@H](C)OC1 402362284 573881568 /nfs/dbraw/zinc/88/15/68/573881568.db2.gz DEGOPSCOPVMWEK-CBAPKCEASA-N 0 0 171.240 1.032 10 0 ADAERN O[C@@H]1CCCc2c(Cl)ncn21 258170538 573881582 /nfs/dbraw/zinc/88/15/82/573881582.db2.gz ICBYIRUSRZVUES-ZCFIWIBFSA-N 0 0 172.615 1.364 10 0 ADAERN OCCc1nccc(C2CCC2)n1 259219272 573881605 /nfs/dbraw/zinc/88/16/05/573881605.db2.gz XVIQYIXOQVETJQ-UHFFFAOYSA-N 0 0 178.235 1.279 10 0 ADAERN CC(=O)CC(=O)Nc1cccs1 258980293 573881608 /nfs/dbraw/zinc/88/16/08/573881608.db2.gz PPMXINDRVRBIOB-UHFFFAOYSA-N 0 0 183.232 1.666 10 0 ADAERN CC1=C/C(=C\CCCO)OC1=O 238552595 573881615 /nfs/dbraw/zinc/88/16/15/573881615.db2.gz XNIUUIOVSJDSEN-XBXARRHUSA-N 0 0 168.192 1.146 10 0 ADAERN c1ncc(NC2CCC2)cn1 76577870 573881623 /nfs/dbraw/zinc/88/16/23/573881623.db2.gz MUFUWUZCUISNQR-UHFFFAOYSA-N 0 0 149.197 1.441 10 0 ADAERN CC1(C)OC2(CCCC2)[C@@H](O)C1=O 238178806 573881627 /nfs/dbraw/zinc/88/16/27/573881627.db2.gz DVEQHSZMVUOBAH-QMMMGPOBSA-N 0 0 184.235 1.038 10 0 ADAERN CCOC[C@@](C)(O)C(C)(C)C 101821773 573881628 /nfs/dbraw/zinc/88/16/28/573881628.db2.gz RVAWLTHVEZPSIC-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CC1=C[C@@H]2CCC(=O)[C@]12C 238178385 573881632 /nfs/dbraw/zinc/88/16/32/573881632.db2.gz QZZIJEJCMKBOEA-IONNQARKSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@H](CC1CC1)NN 252999183 573881720 /nfs/dbraw/zinc/88/17/20/573881720.db2.gz IKEUVCDFZIGRKN-SFGNSQDASA-N 0 0 184.283 1.043 10 0 ADAERN O=C1Cc2c(F)cccc2C12CC2 238554034 573881730 /nfs/dbraw/zinc/88/17/30/573881730.db2.gz MISORYQRAYTHAC-UHFFFAOYSA-N 0 0 176.190 1.983 10 0 ADAERN CC(C)[C@@H]1[C@H](O)CC12CC2 238177570 573881735 /nfs/dbraw/zinc/88/17/35/573881735.db2.gz KISFBFPDVNYANH-HTQZYQBOSA-N 0 0 140.226 1.803 10 0 ADAERN O=C(C[C@H]1CCOC1)[C@H]1CCCOC1 225033122 573881736 /nfs/dbraw/zinc/88/17/36/573881736.db2.gz SFTVNMSVOGMBLI-ZJUUUORDSA-N 0 0 198.262 1.409 10 0 ADAERN CC(=O)[C@@H]1[C@@H]2CC[C@@]21C 238177742 573881737 /nfs/dbraw/zinc/88/17/37/573881737.db2.gz ILTXTEHHHFJWOX-RNJXMRFFSA-N 0 0 124.183 1.622 10 0 ADAERN CC(C)[C@H]1c2cc(O)ccc2O[C@H]1O 238177689 573881760 /nfs/dbraw/zinc/88/17/60/573881760.db2.gz IGGGGTUSTBVUMD-WDEREUQCSA-N 0 0 194.230 1.843 10 0 ADAERN NO[C@@H](CCO)c1cccc(F)c1 257892433 573881769 /nfs/dbraw/zinc/88/17/69/573881769.db2.gz NNOYQVUKVZBRCN-VIFPVBQESA-N 0 0 185.198 1.140 10 0 ADAERN NC(=O)c1cccc(OC2CCC2)n1 238553681 573881774 /nfs/dbraw/zinc/88/17/74/573881774.db2.gz OCAJUWDNUPYRSA-UHFFFAOYSA-N 0 0 192.218 1.112 10 0 ADAERN Cc1c[nH]c(=O)c2c1ccn2C 238553113 573881846 /nfs/dbraw/zinc/88/18/46/573881846.db2.gz OXPYHCLSCXVQJR-UHFFFAOYSA-N 0 0 162.192 1.175 10 0 ADAERN CC[C@H](C(N)=O)c1ccc(C)cc1 80134241 573881783 /nfs/dbraw/zinc/88/17/83/573881783.db2.gz BPBCXLYDRJUYRV-JTQLQIEISA-N 0 0 177.247 1.974 10 0 ADAERN CC1(C)OC(=O)c2cc(O)ccc21 238178110 573881805 /nfs/dbraw/zinc/88/18/05/573881805.db2.gz HHMGOFQHPYZOBW-UHFFFAOYSA-N 0 0 178.187 1.798 10 0 ADAERN CC1(C)OC(=O)[C@@H]2NCCCC[C@H]21 238177493 573881815 /nfs/dbraw/zinc/88/18/15/573881815.db2.gz NHNQGFQGXVXCPZ-HTQZYQBOSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)[C@H]1CSCC1=O 76576726 573881819 /nfs/dbraw/zinc/88/18/19/573881819.db2.gz GPEMEHRTFCZONJ-ZCFIWIBFSA-N 0 0 144.239 1.575 10 0 ADAERN CC1CCC(O)(CCCO)CC1 238179046 573882888 /nfs/dbraw/zinc/88/28/88/573882888.db2.gz KOOZQRHLJNDZAL-UHFFFAOYSA-N 0 0 172.268 1.700 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCC[C@H]1OC 87333738 573881849 /nfs/dbraw/zinc/88/18/49/573881849.db2.gz SJZVKSBFZAPFEI-AFRAPRFESA-N 0 0 183.251 1.246 10 0 ADAERN CCNC(=O)c1ccc(C)cc1NN 87332836 573881864 /nfs/dbraw/zinc/88/18/64/573881864.db2.gz KLUKQRFXQRNIFB-UHFFFAOYSA-N 0 0 193.250 1.030 10 0 ADAERN COC(=O)[C@](N)(CC(C)C)[C@@H](C)F 257891798 573881868 /nfs/dbraw/zinc/88/18/68/573881868.db2.gz XFWFFZHZBYDWHY-APPZFPTMSA-N 0 0 191.246 1.261 10 0 ADAERN CC(C)(CO)NC(=O)C1(C)CCCC1 87317588 573881870 /nfs/dbraw/zinc/88/18/70/573881870.db2.gz BOCXPHJKSLXBRO-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@@H](C(=O)[O-])[C@@H]1C 238177386 573881877 /nfs/dbraw/zinc/88/18/77/573881877.db2.gz PVJDPECGXWLKKD-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1nc(N)nc(Cl)c1CC1CC1 238552588 573881896 /nfs/dbraw/zinc/88/18/96/573881896.db2.gz STJITQCZKJZPGS-UHFFFAOYSA-N 0 0 197.669 1.973 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1cccc(F)n1 122985324 573882890 /nfs/dbraw/zinc/88/28/90/573882890.db2.gz ZUCXXTCAXVQAAU-POYBYMJQSA-N 0 0 194.209 1.359 10 0 ADAERN CC(=O)c1c(Cl)ccc(=O)n1C 257892547 573881947 /nfs/dbraw/zinc/88/19/47/573881947.db2.gz NRBSLTLFBYGANH-UHFFFAOYSA-N 0 0 185.610 1.241 10 0 ADAERN CCC(=O)[C@@H](C)C[C@H](C)O 76576635 573881950 /nfs/dbraw/zinc/88/19/50/573881950.db2.gz QNEMOJXDBZQRHG-BQBZGAKWSA-N 0 0 144.214 1.373 10 0 ADAERN O=C(c1ncc[nH]1)[C@H]1CCCOC1 225029312 573881951 /nfs/dbraw/zinc/88/19/51/573881951.db2.gz KHKGJOIBDAGASO-ZETCQYMHSA-N 0 0 180.207 1.019 10 0 ADAERN Cc1ccc(C(=O)N(C)C)c(N)c1 87332013 573881956 /nfs/dbraw/zinc/88/19/56/573881956.db2.gz NFXQREBRPSXOCW-UHFFFAOYSA-N 0 0 178.235 1.279 10 0 ADAERN Cc1nc(N)nc2c1CCCS2 238553269 573881961 /nfs/dbraw/zinc/88/19/61/573881961.db2.gz OKWBPZQNBQMUOM-UHFFFAOYSA-N 0 0 181.264 1.406 10 0 ADAERN OCC/C=C/c1ccc2c(c1)OCO2 80133514 573881963 /nfs/dbraw/zinc/88/19/63/573881963.db2.gz VEAKPXUULFBRQX-HNQUOIGGSA-N 0 0 192.214 1.811 10 0 ADAERN C[C@]1(C(=O)[C@@H]2CCCOC2)CCCO1 225028856 573881974 /nfs/dbraw/zinc/88/19/74/573881974.db2.gz BNVUACFXJBOLSJ-MWLCHTKSSA-N 0 0 198.262 1.551 10 0 ADAERN Cc1cnc(NC2CC2)o1 76573679 573881992 /nfs/dbraw/zinc/88/19/92/573881992.db2.gz CHUXVRXNLDQYNA-UHFFFAOYSA-N 0 0 138.170 1.557 10 0 ADAERN C[NH2+][C@@H](C1CCC1)[C@H](C)C(=O)[O-] 259220320 573881996 /nfs/dbraw/zinc/88/19/96/573881996.db2.gz GCNGJSOWHBQGSN-POYBYMJQSA-N 0 0 171.240 1.095 10 0 ADAERN Cc1cccc2c1[C@@H]([C@@H](C)O)CO2 258169775 573882035 /nfs/dbraw/zinc/88/20/35/573882035.db2.gz MGUUDRYHBXPMPV-RKDXNWHRSA-N 0 0 178.231 1.852 10 0 ADAERN CO[C@H]1OCCC[C@@H]1CCCO 238373514 573882043 /nfs/dbraw/zinc/88/20/43/573882043.db2.gz WMYXTZNHXJXQOA-IUCAKERBSA-N 0 0 174.240 1.158 10 0 ADAERN C=C=C[C@@H](O)C[C@H]1COC(C)(C)O1 238177888 573882048 /nfs/dbraw/zinc/88/20/48/573882048.db2.gz MDEDNQSVKRFOHQ-BDAKNGLRSA-N 0 0 184.235 1.230 10 0 ADAERN Cc1cc(C)cc(ON)c1 76573518 573882052 /nfs/dbraw/zinc/88/20/52/573882052.db2.gz GUPKDYCUAHLFHA-UHFFFAOYSA-N 0 0 137.182 1.556 10 0 ADAERN C[C@H](O)[C@@H](C)[NH2+]Cc1cncs1 131479472 573882082 /nfs/dbraw/zinc/88/20/82/573882082.db2.gz YVJQHVXJNDTDII-RQJHMYQMSA-N 0 0 186.280 1.002 10 0 ADAERN c1cc2c(o1)NCCCN2 76573645 573882099 /nfs/dbraw/zinc/88/20/99/573882099.db2.gz XYVBRXDZDZGFEI-UHFFFAOYSA-N 0 0 138.170 1.507 10 0 ADAERN CC(=O)C1=C(O)[C@H]2CC[C@@H]1C2 238177686 573882104 /nfs/dbraw/zinc/88/21/04/573882104.db2.gz PVTJMTRDVHAQAE-GJMOJQLCSA-N 0 0 152.193 1.191 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1c1ncc[nH]1 80163201 573882115 /nfs/dbraw/zinc/88/21/15/573882115.db2.gz CDYTZWUKBPTGMI-DTWKUNHWSA-N 0 0 180.251 1.818 10 0 ADAERN O=c1ccn2ccc(Cl)cc2c1 238553488 573882124 /nfs/dbraw/zinc/88/21/24/573882124.db2.gz KKEZJSMDKWTSGL-UHFFFAOYSA-N 0 0 179.606 1.953 10 0 ADAERN O[C@@H](F)Cc1ccccc1 80123216 573882126 /nfs/dbraw/zinc/88/21/26/573882126.db2.gz VJIJHQNXFNQHFU-MRVPVSSYSA-N 0 0 140.157 1.517 10 0 ADAERN C[C@@H](N)c1nnc(C2(C)CCCC2)o1 87319026 573882149 /nfs/dbraw/zinc/88/21/49/573882149.db2.gz AUFUYCDIYKUVGQ-SSDOTTSWSA-N 0 0 195.266 1.921 10 0 ADAERN Cn1ccc(N)c1C1CC1 76573447 573882158 /nfs/dbraw/zinc/88/21/58/573882158.db2.gz CECLVBFPUQRSQW-UHFFFAOYSA-N 0 0 136.198 1.485 10 0 ADAERN CCN(N)Cc1cccc(C)n1 87333517 573882170 /nfs/dbraw/zinc/88/21/70/573882170.db2.gz LPGUMFZPHJMGML-UHFFFAOYSA-N 0 0 165.240 1.086 10 0 ADAERN CCN(C)C(=O)c1ccc(C)cc1N 87332259 573882177 /nfs/dbraw/zinc/88/21/77/573882177.db2.gz NAHSEEPTYMRQCH-UHFFFAOYSA-N 0 0 192.262 1.669 10 0 ADAERN C/C=C(\C[C@H](O)C(C)C)C(=O)NC 393568169 573882179 /nfs/dbraw/zinc/88/21/79/573882179.db2.gz XSHFPGYXLGZWSS-QRJSTWQJSA-N 0 0 185.267 1.086 10 0 ADAERN CCC(=O)[C@@H](C)C[C@@H](C)O 76576629 573882190 /nfs/dbraw/zinc/88/21/90/573882190.db2.gz QNEMOJXDBZQRHG-NKWVEPMBSA-N 0 0 144.214 1.373 10 0 ADAERN CC1=NC(=O)N[C@H](c2ccccc2)C1 238177601 573882212 /nfs/dbraw/zinc/88/22/12/573882212.db2.gz HPLFSKPZYHUYQO-JTQLQIEISA-N 0 0 188.230 1.944 10 0 ADAERN CCc1nc([C@H](C)CO)co1 257892204 573882214 /nfs/dbraw/zinc/88/22/14/573882214.db2.gz BDRXOOVQAWWRHC-ZCFIWIBFSA-N 0 0 155.197 1.333 10 0 ADAERN CO[C@H](C)C(=O)[C@@H]1CCCOC1 225027154 573882221 /nfs/dbraw/zinc/88/22/21/573882221.db2.gz KZWPIPYKWDSZAN-HTQZYQBOSA-N 0 0 172.224 1.017 10 0 ADAERN Cc1[nH]c(=O)n(C(C)C)c1C 238178749 573882244 /nfs/dbraw/zinc/88/22/44/573882244.db2.gz VSLJSZIYCKQIEO-UHFFFAOYSA-N 0 0 154.213 1.374 10 0 ADAERN C[NH+](C)C(C)(C)C(=O)[C@@H]1CCCOC1 225023779 573882269 /nfs/dbraw/zinc/88/22/69/573882269.db2.gz CFXFKTCQDFZENJ-SECBINFHSA-N 0 0 199.294 1.322 10 0 ADAERN CN(CCO)c1ccc2ncoc2c1 258984459 573882278 /nfs/dbraw/zinc/88/22/78/573882278.db2.gz LIWIXZOEPXEQCC-UHFFFAOYSA-N 0 0 192.218 1.256 10 0 ADAERN CC(C)[C@H]1OCCC1=O 238178745 573882296 /nfs/dbraw/zinc/88/22/96/573882296.db2.gz GBFRYVHCVMENHN-SSDOTTSWSA-N 0 0 128.171 1.000 10 0 ADAERN CC(C)[C@H]1OC(=O)CC(C)(C)[C@@H]1O 238177713 573882322 /nfs/dbraw/zinc/88/23/22/573882322.db2.gz PZHRCOXBVRXMEC-RKDXNWHRSA-N 0 0 186.251 1.345 10 0 ADAERN Nc1ccccc1C1(O)CCOCC1 257891836 573882325 /nfs/dbraw/zinc/88/23/25/573882325.db2.gz XGUVUNPOJHUGSB-UHFFFAOYSA-N 0 0 193.246 1.267 10 0 ADAERN Cc1nc(C(C)C)sc1C(=N)NO 238178679 573882364 /nfs/dbraw/zinc/88/23/64/573882364.db2.gz BTFVHTSNODYAEQ-UHFFFAOYSA-N 0 0 199.279 1.879 10 0 ADAERN CC1(C)OC(=O)c2ccccc2[C@@H]1O 238178267 573882383 /nfs/dbraw/zinc/88/23/83/573882383.db2.gz JARJQNNGTJFRJM-VIFPVBQESA-N 0 0 192.214 1.669 10 0 ADAERN COc1ccc2c(c1CCO)COC2 258171086 573882461 /nfs/dbraw/zinc/88/24/61/573882461.db2.gz VUYXRHFSZCIPQE-UHFFFAOYSA-N 0 0 194.230 1.260 10 0 ADAERN Cc1csc(F)c1NC1=[NH+]CCN1 238552696 573882466 /nfs/dbraw/zinc/88/24/66/573882466.db2.gz MKHIQGLCBKEEPW-UHFFFAOYSA-N 0 0 199.254 1.567 10 0 ADAERN CC(=O)[C@H](C)NC(=O)C1(C)CCCC1 87316714 573882470 /nfs/dbraw/zinc/88/24/70/573882470.db2.gz BWRNUGYZVZBJDY-QMMMGPOBSA-N 0 0 197.278 1.660 10 0 ADAERN CC1=C[C@@H](O)[C@@H](C(C)C)C(=O)C1 238177541 573882486 /nfs/dbraw/zinc/88/24/86/573882486.db2.gz ORXOHVOZOHQUKA-PSASIEDQSA-N 0 0 168.236 1.539 10 0 ADAERN CC1(c2n[nH]c(=S)n2N)CCCC1 87317301 573882492 /nfs/dbraw/zinc/88/24/92/573882492.db2.gz LBYXYYXGSVAPMN-UHFFFAOYSA-N 0 0 198.295 1.486 10 0 ADAERN CC1=C[C@@H]2CCC(=O)[C@@]12C 238178449 573882496 /nfs/dbraw/zinc/88/24/96/573882496.db2.gz QZZIJEJCMKBOEA-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN CC1(C)OC(=O)c2ccccc2[C@H]1O 238178316 573882522 /nfs/dbraw/zinc/88/25/22/573882522.db2.gz JARJQNNGTJFRJM-SECBINFHSA-N 0 0 192.214 1.669 10 0 ADAERN CC(C)(C)CC(=O)NC1CC(O)C1 84422952 573882530 /nfs/dbraw/zinc/88/25/30/573882530.db2.gz BYWBPCWLHMWNCO-UHFFFAOYSA-N 0 0 185.267 1.062 10 0 ADAERN O[C@H](F)Cc1ccccc1 80123221 573882533 /nfs/dbraw/zinc/88/25/33/573882533.db2.gz VJIJHQNXFNQHFU-QMMMGPOBSA-N 0 0 140.157 1.517 10 0 ADAERN COc1cc(O)cc(C)c1[C@@H](C)O 258171223 573882542 /nfs/dbraw/zinc/88/25/42/573882542.db2.gz VXUKVASWCPVSQO-SSDOTTSWSA-N 0 0 182.219 1.763 10 0 ADAERN C[C@@]1(C(=O)[C@H]2CCCOC2)CCCO1 225028900 573882554 /nfs/dbraw/zinc/88/25/54/573882554.db2.gz BNVUACFXJBOLSJ-ONGXEEELSA-N 0 0 198.262 1.551 10 0 ADAERN O=Cc1cc(C2CCC2)ncn1 258986432 573882556 /nfs/dbraw/zinc/88/25/56/573882556.db2.gz FNWQWPPAJALQHD-UHFFFAOYSA-N 0 0 162.192 1.557 10 0 ADAERN Cc1coc(NC2CC2)n1 76573684 573882562 /nfs/dbraw/zinc/88/25/62/573882562.db2.gz TVQJHMFIISKEAJ-UHFFFAOYSA-N 0 0 138.170 1.557 10 0 ADAERN C[N@@H+]1CC[C@@H](CC2(C(=O)[O-])CC2)C1 259219561 573882570 /nfs/dbraw/zinc/88/25/70/573882570.db2.gz UBXIBMRKCCNVLK-QMMMGPOBSA-N 0 0 183.251 1.193 10 0 ADAERN CC1(c2nnc(CN)o2)CCCC1 87319009 573882575 /nfs/dbraw/zinc/88/25/75/573882575.db2.gz FRIWSKXUASWCGU-UHFFFAOYSA-N 0 0 181.239 1.360 10 0 ADAERN CCN(CC(F)(F)F)[C@@H](C)[C@@H](C)O 44163722 573882581 /nfs/dbraw/zinc/88/25/81/573882581.db2.gz MQDDGTJWDLRQQE-NKWVEPMBSA-N 0 0 199.216 1.640 10 0 ADAERN C[C@H]1Cc2cc(CCO)ccc2N1C 258170958 573882591 /nfs/dbraw/zinc/88/25/91/573882591.db2.gz SAUQNTVGQOXMKD-VIFPVBQESA-N 0 0 191.274 1.602 10 0 ADAERN Nc1cc(F)ccc1NC1CC(O)C1 84421928 573882594 /nfs/dbraw/zinc/88/25/94/573882594.db2.gz IAZUTSIIIXYVNT-UHFFFAOYSA-N 0 0 196.225 1.343 10 0 ADAERN Cc1ccc(ON)c(C)c1 76573520 573882595 /nfs/dbraw/zinc/88/25/95/573882595.db2.gz FWNKUJSAYFCWCO-UHFFFAOYSA-N 0 0 137.182 1.556 10 0 ADAERN OCCCc1c(F)ccc2c1OCO2 258171135 573882610 /nfs/dbraw/zinc/88/26/10/573882610.db2.gz VVUURBLHBHITLP-UHFFFAOYSA-N 0 0 198.193 1.479 10 0 ADAERN COC(=O)C/C=C\C[C@H]1CCOC1 258172803 573883180 /nfs/dbraw/zinc/88/31/80/573883180.db2.gz LOJLROMCADDQKM-XADBCAIWSA-N 0 0 184.235 1.532 10 0 ADAERN CC1(C(=O)[C@H]2CCCOC2)CC1 225029737 573883181 /nfs/dbraw/zinc/88/31/81/573883181.db2.gz TYZXODSYWHZELF-QMMMGPOBSA-N 0 0 168.236 1.782 10 0 ADAERN CNc1cc(F)cc(OC)c1 84426880 573882645 /nfs/dbraw/zinc/88/26/45/573882645.db2.gz BEOUOISCYXETBD-UHFFFAOYSA-N 0 0 155.172 1.876 10 0 ADAERN O=C([C@@H]1CCCOC1)C(F)(F)Cl 225032762 573882648 /nfs/dbraw/zinc/88/26/48/573882648.db2.gz YOFNJDPORUJSNH-RXMQYKEDSA-N 0 0 198.596 1.814 10 0 ADAERN Nc1ccc(NC2CC(O)C2)c(F)c1 84422026 573882657 /nfs/dbraw/zinc/88/26/57/573882657.db2.gz CPRNCNNEDMPSBM-UHFFFAOYSA-N 0 0 196.225 1.343 10 0 ADAERN CC1(c2cc(N)n[nH]2)CCCC1 87316868 573882677 /nfs/dbraw/zinc/88/26/77/573882677.db2.gz RQZBSCTZLIEPTR-UHFFFAOYSA-N 0 0 165.240 1.824 10 0 ADAERN Cc1cn2c(C)cc(=O)nc2[nH]1 238553094 573882695 /nfs/dbraw/zinc/88/26/95/573882695.db2.gz VBYYRZMDRUUXCG-UHFFFAOYSA-N 0 0 163.180 1.052 10 0 ADAERN O=CSc1ccc2c(c1)OCCO2 259220477 573882744 /nfs/dbraw/zinc/88/27/44/573882744.db2.gz MGBRIXYQRLQXKR-UHFFFAOYSA-N 0 0 196.227 1.740 10 0 ADAERN C[C@H](CO)COc1ccc(F)cc1 41202623 573882761 /nfs/dbraw/zinc/88/27/61/573882761.db2.gz WQNBDHQQAHURCT-MRVPVSSYSA-N 0 0 184.210 1.833 10 0 ADAERN CC(C)(O)CCc1ccccc1N 238178596 573882783 /nfs/dbraw/zinc/88/27/83/573882783.db2.gz JUBUUNYYBFTBHT-UHFFFAOYSA-N 0 0 179.263 1.972 10 0 ADAERN CNc1cc(C)ccc1C(=O)N(C)C 87332021 573882789 /nfs/dbraw/zinc/88/27/89/573882789.db2.gz KRJMDDGCNQNYLG-UHFFFAOYSA-N 0 0 192.262 1.739 10 0 ADAERN CC(C)Cc1noc(C2CC(O)C2)n1 84421240 573882806 /nfs/dbraw/zinc/88/28/06/573882806.db2.gz JRZUHPOWBYLFJX-UHFFFAOYSA-N 0 0 196.250 1.506 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)[C@@H]1CCCOC1 225023384 573882809 /nfs/dbraw/zinc/88/28/09/573882809.db2.gz XZLWRGFJFDCHHE-IWSPIJDZSA-N 0 0 168.236 1.638 10 0 ADAERN CC1(c2ocnc2C[NH3+])CCCC1 87330875 573882838 /nfs/dbraw/zinc/88/28/38/573882838.db2.gz ATKARERHIYPEIH-UHFFFAOYSA-N 0 0 180.251 1.965 10 0 ADAERN CC(C)[C@H]1OC(=O)CC(C)(C)[C@H]1O 238177737 573882934 /nfs/dbraw/zinc/88/29/34/573882934.db2.gz PZHRCOXBVRXMEC-BDAKNGLRSA-N 0 0 186.251 1.345 10 0 ADAERN OC1CC(c2nnc(Cl)s2)C1 84421466 573882942 /nfs/dbraw/zinc/88/29/42/573882942.db2.gz DWWLZTDPBQCWAY-UHFFFAOYSA-N 0 0 190.655 1.430 10 0 ADAERN Cn1cccc1C(C)(C)O 238553661 573882951 /nfs/dbraw/zinc/88/29/51/573882951.db2.gz XOQCEZOHHWRHHE-UHFFFAOYSA-N 0 0 139.198 1.253 10 0 ADAERN C/C=C/C(=O)N1C[C@H](CC)CC1=O 87333876 573882960 /nfs/dbraw/zinc/88/29/60/573882960.db2.gz CQLVQMOIAMHQIM-RYEJSQLPSA-N 0 0 181.235 1.348 10 0 ADAERN Cc1ccc(NC2CC(O)C2)c(N)c1 84422217 573882978 /nfs/dbraw/zinc/88/29/78/573882978.db2.gz YDIIRWUVRZILOH-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN COC(=O)[C@@H]1CNc2ccc(O)cc21 257891792 573882984 /nfs/dbraw/zinc/88/29/84/573882984.db2.gz XFUGDZCOZIKMSA-MRVPVSSYSA-N 0 0 193.202 1.074 10 0 ADAERN O=c1[nH]c(Cl)cc2c1CCCC2 238553713 573883038 /nfs/dbraw/zinc/88/30/38/573883038.db2.gz FAYOSUKTXHTUCR-UHFFFAOYSA-N 0 0 183.638 1.907 10 0 ADAERN Fc1ncc(OC2CCC2)cn1 238553235 573883043 /nfs/dbraw/zinc/88/30/43/573883043.db2.gz GTQZLKHMPAOUTE-UHFFFAOYSA-N 0 0 168.171 1.547 10 0 ADAERN CC(=O)c1cnc(CC(C)C)c(=O)[nH]1 238178910 573883065 /nfs/dbraw/zinc/88/30/65/573883065.db2.gz UUWPEKRLMGJHNU-UHFFFAOYSA-N 0 0 194.234 1.171 10 0 ADAERN CCC(=O)C[C@H]1CCCCO1 125359358 573883067 /nfs/dbraw/zinc/88/30/67/573883067.db2.gz FUCKVCDYVWRPGH-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@@H]2C[C@H]2C(=O)[O-])o1 259579231 573883076 /nfs/dbraw/zinc/88/30/76/573883076.db2.gz ZBPPMPGSHGNLDM-ZXFLCMHBSA-N 0 0 195.218 1.309 10 0 ADAERN CC(C)C(=O)N[C@]1(C)C[C@@H]1C 222442449 573883216 /nfs/dbraw/zinc/88/32/16/573883216.db2.gz NSWIHXGPOIKPPF-IONNQARKSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)[C@@H](O)C1(O)CCCC1 101989184 573883101 /nfs/dbraw/zinc/88/31/01/573883101.db2.gz RDLSKNSAIFOHKA-MRVPVSSYSA-N 0 0 158.241 1.308 10 0 ADAERN Fc1ncc(OC2CC2)cn1 238553194 573883102 /nfs/dbraw/zinc/88/31/02/573883102.db2.gz LOLLHUJZAYNEEI-UHFFFAOYSA-N 0 0 154.144 1.157 10 0 ADAERN NC(=O)C[C@@H]1SCc2ccccc21 238554061 573883123 /nfs/dbraw/zinc/88/31/23/573883123.db2.gz AINZONYAGRKYPI-VIFPVBQESA-N 0 0 193.271 1.850 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCC[C@@H]1OC 87333735 573883132 /nfs/dbraw/zinc/88/31/32/573883132.db2.gz SJZVKSBFZAPFEI-KRALRXKRSA-N 0 0 183.251 1.246 10 0 ADAERN CC(C)[C@H]1OCCC[C@@H](CO)O1 238178802 573883159 /nfs/dbraw/zinc/88/31/59/573883159.db2.gz GRWQLPNKBCVYGO-IUCAKERBSA-N 0 0 174.240 1.156 10 0 ADAERN N/C=C(/N)C(Cl)(Cl)Cl 238549573 573884970 /nfs/dbraw/zinc/88/49/70/573884970.db2.gz KQSCJAUZMKYGLQ-OWOJBTEDSA-N 0 0 175.446 1.115 10 0 ADAERN CC12CCC(CC1)C[C@@H]2O 238180538 573892212 /nfs/dbraw/zinc/89/22/12/573892212.db2.gz UNDCREPVZUXXPG-MGURRDGZSA-N 0 0 140.226 1.948 10 0 ADAERN O=C([O-])c1ncc(C[NH2+]C2CCC2)o1 258172395 573885169 /nfs/dbraw/zinc/88/51/69/573885169.db2.gz MLFZLEFHYPNJQJ-UHFFFAOYSA-N 0 0 196.206 1.015 10 0 ADAERN Cc1cn(C(C)C)c(CO)n1 257894082 573892967 /nfs/dbraw/zinc/89/29/67/573892967.db2.gz MVGZTASHZQKIEU-UHFFFAOYSA-N 0 0 154.213 1.265 10 0 ADAERN C[C@H](O)[C@H](F)C[C@H]1CCCO1 258445199 573884973 /nfs/dbraw/zinc/88/49/73/573884973.db2.gz FINZXHOTJUXCTA-XLPZGREQSA-N 0 0 162.204 1.274 10 0 ADAERN CCCc1ccn(C)n1 80356355 573894311 /nfs/dbraw/zinc/89/43/11/573894311.db2.gz FKQIJYOUPCNXPZ-UHFFFAOYSA-N 0 0 124.187 1.373 10 0 ADAERN Cc1c(CO)cnc(CC(C)C)c1O 238179105 573884732 /nfs/dbraw/zinc/88/47/32/573884732.db2.gz QHZINDDBWXTLNF-UHFFFAOYSA-N 0 0 195.262 1.786 10 0 ADAERN C[C@H](O)[C@H](F)C[C@@H]1CCCO1 258445181 573884746 /nfs/dbraw/zinc/88/47/46/573884746.db2.gz FINZXHOTJUXCTA-BIIVOSGPSA-N 0 0 162.204 1.274 10 0 ADAERN NC(=O)[C@@]12CCC[C@@H](CC1)C2 80305877 573884753 /nfs/dbraw/zinc/88/47/53/573884753.db2.gz FHYYOCLXSYOLBN-CBAPKCEASA-N 0 0 153.225 1.442 10 0 ADAERN Cc1coc([C@@H](C)O)c1 102080875 573885191 /nfs/dbraw/zinc/88/51/91/573885191.db2.gz LBFMUHAZYALIHU-ZCFIWIBFSA-N 0 0 126.155 1.641 10 0 ADAERN Cc1c[nH]c([C@H](N)C(F)(F)F)c1 238555153 573884769 /nfs/dbraw/zinc/88/47/69/573884769.db2.gz XOCCWXUGPIDYGN-LURJTMIESA-N 0 0 178.157 1.885 10 0 ADAERN CC(C)n1cc(C(=O)C(F)F)cn1 238182279 573884782 /nfs/dbraw/zinc/88/47/82/573884782.db2.gz FFMMFXZONQYESO-UHFFFAOYSA-N 0 0 188.177 1.912 10 0 ADAERN COC(=O)/C=C1\CCC[C@H](OC)C1 80259570 573885194 /nfs/dbraw/zinc/88/51/94/573885194.db2.gz GNVDQUCQSWFQDR-FLOXNTQESA-N 0 0 184.235 1.675 10 0 ADAERN CC(C)[C@H](O)C1(O)CCCC1 101989181 573884803 /nfs/dbraw/zinc/88/48/03/573884803.db2.gz RDLSKNSAIFOHKA-QMMMGPOBSA-N 0 0 158.241 1.308 10 0 ADAERN Clc1cn(C2CC2)nn1 238554843 573884812 /nfs/dbraw/zinc/88/48/12/573884812.db2.gz MLNLFJKJNPSUJJ-UHFFFAOYSA-N 0 0 143.577 1.266 10 0 ADAERN NC(=O)c1ccc(OC2CCC2)cn1 238549476 573884822 /nfs/dbraw/zinc/88/48/22/573884822.db2.gz WJQWOTQVQUKEOI-UHFFFAOYSA-N 0 0 192.218 1.112 10 0 ADAERN COC(=O)C/C=C\C[C@@H]1CCOC1 258172802 573884860 /nfs/dbraw/zinc/88/48/60/573884860.db2.gz LOJLROMCADDQKM-PKRMOACSSA-N 0 0 184.235 1.532 10 0 ADAERN CC(=O)CNC(=O)C1(C)CCCC1 87316706 573884862 /nfs/dbraw/zinc/88/48/62/573884862.db2.gz GNIOKYKSWLSSLO-UHFFFAOYSA-N 0 0 183.251 1.272 10 0 ADAERN CC1CCC([C@@](C)(O)CO)CC1 238179621 573884863 /nfs/dbraw/zinc/88/48/63/573884863.db2.gz BOEFSWKEQSPORV-RTBKNWGFSA-N 0 0 172.268 1.556 10 0 ADAERN C/C=C/C(=O)Nc1onc(C)c1C 87333838 573884873 /nfs/dbraw/zinc/88/48/73/573884873.db2.gz RCYHCEXBVYKUJD-SNAWJCMRSA-N 0 0 180.207 1.806 10 0 ADAERN CCCCN(C)C(=O)CCCO 41198699 573884880 /nfs/dbraw/zinc/88/48/80/573884880.db2.gz RJVHCFRZCFATID-UHFFFAOYSA-N 0 0 173.256 1.017 10 0 ADAERN CCCNc1cc(C)ccc1C(N)=O 87332190 573884882 /nfs/dbraw/zinc/88/48/82/573884882.db2.gz ZQWUGQACMGRPNB-UHFFFAOYSA-N 0 0 192.262 1.916 10 0 ADAERN CC(=O)c1cc(C[C@@H]2CCOC2)[nH]n1 259220515 573884895 /nfs/dbraw/zinc/88/48/95/573884895.db2.gz LUFCLDPDQHRAKI-QMMMGPOBSA-N 0 0 194.234 1.191 10 0 ADAERN Nc1oncc1[C@H]1CCSC1 258519044 573884897 /nfs/dbraw/zinc/88/48/97/573884897.db2.gz MAODRBDOMBUTNH-YFKPBYRVSA-N 0 0 170.237 1.477 10 0 ADAERN Cc1noc(-c2ccc(N)s2)n1 102030062 573884898 /nfs/dbraw/zinc/88/48/98/573884898.db2.gz JXBVADNYDCZQEO-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN C[C@@H](O)c1ccccc1C1(O)CC1 259577233 573884907 /nfs/dbraw/zinc/88/49/07/573884907.db2.gz XVBSXWYGRMAOKO-MRVPVSSYSA-N 0 0 178.231 1.721 10 0 ADAERN [NH3+]C1(Cc2cc([O-])ccc2C=O)CC1 258171157 573884931 /nfs/dbraw/zinc/88/49/31/573884931.db2.gz VWLHIROMHYYXSN-UHFFFAOYSA-N 0 0 191.230 1.239 10 0 ADAERN Cn1nnc2c(Cl)c(N)ccc21 238554292 573884932 /nfs/dbraw/zinc/88/49/32/573884932.db2.gz MXPNGZDXZKCKEA-UHFFFAOYSA-N 0 0 182.614 1.204 10 0 ADAERN CC1(C)Nc2c(O)cccc2OC1=O 259220180 573884950 /nfs/dbraw/zinc/88/49/50/573884950.db2.gz LRWYRBPXTDFDJT-UHFFFAOYSA-N 0 0 193.202 1.502 10 0 ADAERN Cc1csc2c(CO)ncn12 238554477 573884963 /nfs/dbraw/zinc/88/49/63/573884963.db2.gz RITIGPBJWUJPLK-UHFFFAOYSA-N 0 0 168.221 1.197 10 0 ADAERN CCOC(=O)c1cc(CC2CC2)[nH]n1 259579735 573885123 /nfs/dbraw/zinc/88/51/23/573885123.db2.gz YUFFNGSGJUPBPD-UHFFFAOYSA-N 0 0 194.234 1.539 10 0 ADAERN Cc1ccc(N)cc1NC1CC(O)C1 84422017 573884978 /nfs/dbraw/zinc/88/49/78/573884978.db2.gz JLDZHPNTTBYBMV-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN CCC1(c2nc(N)no2)CCCC1 87318928 573884979 /nfs/dbraw/zinc/88/49/79/573884979.db2.gz GXLMSTKOKKVODY-UHFFFAOYSA-N 0 0 181.239 1.874 10 0 ADAERN Nc1ccc(O)cc1[C@@H](O)C1CCC1 257893968 573884984 /nfs/dbraw/zinc/88/49/84/573884984.db2.gz XSVSXVAUSSMUSC-NSHDSACASA-N 0 0 193.246 1.808 10 0 ADAERN Cc1ccc(NC2CC(O)C2)cc1N 84422143 573885126 /nfs/dbraw/zinc/88/51/26/573885126.db2.gz VKIVJOKUNGJALI-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN CC(=O)[C@@](C)(CO)c1cc(C)oc1C 238180129 573885017 /nfs/dbraw/zinc/88/50/17/573885017.db2.gz PWXWUFPUUKRQOF-LLVKDONJSA-N 0 0 196.246 1.735 10 0 ADAERN CC1(C(=O)Nc2ncc[nH]2)CCCC1 87317840 573885018 /nfs/dbraw/zinc/88/50/18/573885018.db2.gz VMNMZJUWIRALOT-UHFFFAOYSA-N 0 0 193.250 1.350 10 0 ADAERN Cc1cnc2ccc(CNN)cc2c1 259219958 573885023 /nfs/dbraw/zinc/88/50/23/573885023.db2.gz OIIINQBVHGVPRI-UHFFFAOYSA-N 0 0 187.246 1.507 10 0 ADAERN N#CNc1nc2ccccc2n1C#N 238554829 573885024 /nfs/dbraw/zinc/88/50/24/573885024.db2.gz JNQNXNWJFHLZDU-UHFFFAOYSA-N 0 0 183.174 1.258 10 0 ADAERN NC(=O)c1cccc2c1SCCC2 238554219 573885036 /nfs/dbraw/zinc/88/50/36/573885036.db2.gz LDWHZRAPSYHLII-UHFFFAOYSA-N 0 0 193.271 1.824 10 0 ADAERN Cc1ccc(-c2nc(N)n[nH]2)c(F)c1 87331488 573885038 /nfs/dbraw/zinc/88/50/38/573885038.db2.gz KNQYVTQKZBGXQN-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN C[C@H]1C[C@@](C[NH3+])(CC(=O)[O-])C[C@H]1C 102041475 573885057 /nfs/dbraw/zinc/88/50/57/573885057.db2.gz IUVMAUQEZFTTFB-DIYOJNKTSA-N 0 0 185.267 1.472 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@@H]1CCCO1 258445186 573885067 /nfs/dbraw/zinc/88/50/67/573885067.db2.gz FINZXHOTJUXCTA-FXQIFTODSA-N 0 0 162.204 1.274 10 0 ADAERN COC(=O)c1c[nH]c2c1CCCC2=O 144909013 573885109 /nfs/dbraw/zinc/88/51/09/573885109.db2.gz WCCKHZBNHGOJSL-UHFFFAOYSA-N 0 0 193.202 1.320 10 0 ADAERN Nc1c(F)cccc1NC1CC(O)C1 84422282 573885117 /nfs/dbraw/zinc/88/51/17/573885117.db2.gz LXKYLNOQGQROQC-UHFFFAOYSA-N 0 0 196.225 1.343 10 0 ADAERN O[C@H](Cc1ccsc1)c1ncc[nH]1 87339768 573887825 /nfs/dbraw/zinc/88/78/25/573887825.db2.gz OONDJKNDOUJHBI-MRVPVSSYSA-N 0 0 194.259 1.747 10 0 ADAERN CC(C)C[C@@H]([NH3+])[C@H](C(=O)[O-])C(C)C 259223687 573888888 /nfs/dbraw/zinc/88/88/88/573888888.db2.gz FHNQIHONTSQTEY-RKDXNWHRSA-N 0 0 187.283 1.717 10 0 ADAERN CCOCC(=O)NCCCCC1CC1 716343402 573889022 /nfs/dbraw/zinc/88/90/22/573889022.db2.gz IJVLRGIVMVRPSD-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CCc1cc(N)nc(-c2ncc[nH]2)n1 87342779 573889278 /nfs/dbraw/zinc/88/92/78/573889278.db2.gz AKJQYTXNHOFHQW-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN Cc1ccc([C@H](O)c2ncc[nH]2)s1 87340329 573889285 /nfs/dbraw/zinc/88/92/85/573889285.db2.gz ROQHFTSMLHZNCQ-QMMMGPOBSA-N 0 0 194.259 1.861 10 0 ADAERN CC[NH2+][C@@H](C)c1ncc[nH]1 87342073 573889290 /nfs/dbraw/zinc/88/92/90/573889290.db2.gz SKNKVNKBKOSPLV-LURJTMIESA-N 0 0 139.202 1.080 10 0 ADAERN CCO[C@H]1C[C@H]1c1nnc(C)[nH]1 690070448 573889306 /nfs/dbraw/zinc/88/93/06/573889306.db2.gz AXXKSIFIKPJKPA-RQJHMYQMSA-N 0 0 167.212 1.006 10 0 ADAERN CCCNC(=O)COC1CCC1 717678419 573889317 /nfs/dbraw/zinc/88/93/17/573889317.db2.gz OAXHFQKTSTWZMQ-UHFFFAOYSA-N 0 0 171.240 1.082 10 0 ADAERN O[C@@H]1CC[C@H]2OC(C3CCC3)=N[C@H]2C1 257892950 573886657 /nfs/dbraw/zinc/88/66/57/573886657.db2.gz GSPJZFWXCWULFI-KXUCPTDWSA-N 0 0 195.262 1.497 10 0 ADAERN c1cnnc([C@H]2CCCO2)c1 259579517 573886664 /nfs/dbraw/zinc/88/66/64/573886664.db2.gz YBSNXUCCZBAAIW-MRVPVSSYSA-N 0 0 150.181 1.328 10 0 ADAERN Cc1ccc([C@H](N)c2ncc[nH]2)cn1 87340552 573886671 /nfs/dbraw/zinc/88/66/71/573886671.db2.gz FBAJTJQLARVGIO-VIFPVBQESA-N 0 0 188.234 1.161 10 0 ADAERN N=C1C(F)=C(N)C(F)(F)C1(F)F 145021246 573886677 /nfs/dbraw/zinc/88/66/77/573886677.db2.gz WACVCAMTYKVJMN-UHFFFAOYSA-N 0 0 186.083 1.430 10 0 ADAERN CC[C@@H](O)[C@H](C)N(C)CC(F)(F)F 44161322 573886684 /nfs/dbraw/zinc/88/66/84/573886684.db2.gz NGULQPAIEJRWDQ-NKWVEPMBSA-N 0 0 199.216 1.640 10 0 ADAERN O[C@H](CC1CC1)c1ncc[nH]1 87339896 573886687 /nfs/dbraw/zinc/88/66/87/573886687.db2.gz FRANOGMPLHATST-SSDOTTSWSA-N 0 0 152.197 1.243 10 0 ADAERN Cc1coc(N[C@H]2CCOC2)n1 76596464 573889323 /nfs/dbraw/zinc/88/93/23/573889323.db2.gz DCRVAEOQZFABON-ZETCQYMHSA-N 0 0 168.196 1.184 10 0 ADAERN O=Cc1cnn2ccsc12 76589312 573886745 /nfs/dbraw/zinc/88/67/45/573886745.db2.gz POIQRZWDNWSPIN-UHFFFAOYSA-N 0 0 152.178 1.208 10 0 ADAERN CC(=O)c1ccc(SCCO)o1 131589354 573886752 /nfs/dbraw/zinc/88/67/52/573886752.db2.gz XLZCWEACUZXENO-UHFFFAOYSA-N 0 0 186.232 1.567 10 0 ADAERN Cc1c[nH]c([C@@H](N)C(F)(F)F)c1 238554959 573886755 /nfs/dbraw/zinc/88/67/55/573886755.db2.gz XOCCWXUGPIDYGN-ZCFIWIBFSA-N 0 0 178.157 1.885 10 0 ADAERN C/C=C\C[C@]1(C(=O)[O-])CC[NH2+]C1 211751743 573886756 /nfs/dbraw/zinc/88/67/56/573886756.db2.gz JVEWZMGXBAZTLC-XADBCAIWSA-N 0 0 169.224 1.017 10 0 ADAERN Cc1ccc(C(=O)CO)c(C)c1 101984979 573886762 /nfs/dbraw/zinc/88/67/62/573886762.db2.gz AUPSPMXBQRLWDO-UHFFFAOYSA-N 0 0 164.204 1.478 10 0 ADAERN CCCc1nc(C)c(C(=O)CN)s1 257892873 573886763 /nfs/dbraw/zinc/88/67/63/573886763.db2.gz URLLMNWATMXVLF-UHFFFAOYSA-N 0 0 198.291 1.545 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@H](C)COC(C)=O 393568104 573886778 /nfs/dbraw/zinc/88/67/78/573886778.db2.gz QEZCXWOPNCHYOK-QXFUBDJGSA-N 0 0 188.267 1.593 10 0 ADAERN N#CNC(=N)SCc1ccccc1 238555190 573886779 /nfs/dbraw/zinc/88/67/79/573886779.db2.gz GWDNFFOOOYCWKY-UHFFFAOYSA-N 0 0 191.259 1.925 10 0 ADAERN NC(=S)c1nccn1CC1CCC1 87343693 573889325 /nfs/dbraw/zinc/88/93/25/573889325.db2.gz LDPQIZIOCAQNGC-UHFFFAOYSA-N 0 0 195.291 1.317 10 0 ADAERN O=C1[C@@H]2C[C@@H]2CN1Cc1ccco1 257892936 573886820 /nfs/dbraw/zinc/88/68/20/573886820.db2.gz GSGWLWKNVZYLOU-VXNVDRBHSA-N 0 0 177.203 1.258 10 0 ADAERN CC(=O)CN1O[C@@](C)(C(C)C)CC1=O 257892904 573886835 /nfs/dbraw/zinc/88/68/35/573886835.db2.gz URYMLORRZVCOQT-SNVBAGLBSA-N 0 0 199.250 1.154 10 0 ADAERN C[C@H]1NCC(=O)N1CCCCC1CC1 716333618 573886837 /nfs/dbraw/zinc/88/68/37/573886837.db2.gz QRLQJJQBRZRBJJ-VIFPVBQESA-N 0 0 196.294 1.345 10 0 ADAERN c1cc2c(cn1)nnn2[C@@H]1CCCO1 258172636 573887978 /nfs/dbraw/zinc/88/79/78/573887978.db2.gz DYXVQCZYLBCEMJ-VIFPVBQESA-N 0 0 190.206 1.135 10 0 ADAERN O=C1CC2(CCCCC2)C2(CC2)N1 257893603 573886846 /nfs/dbraw/zinc/88/68/46/573886846.db2.gz NUHHANRFVDUIOH-UHFFFAOYSA-N 0 0 179.263 1.989 10 0 ADAERN CC1=NC(=S)N2N=CS[C@H]2C1 238179560 573886848 /nfs/dbraw/zinc/88/68/48/573886848.db2.gz URSSLUGQGFMLNR-YFKPBYRVSA-N 0 0 185.277 1.097 10 0 ADAERN COc1cccc([C@@H](O)OC)c1 80273072 573886858 /nfs/dbraw/zinc/88/68/58/573886858.db2.gz YKTJLDWDLQTXEU-VIFPVBQESA-N 0 0 168.192 1.333 10 0 ADAERN CCn1c(CO)cc2cccc(O)c21 257892678 573886878 /nfs/dbraw/zinc/88/68/78/573886878.db2.gz MRCPBRPKYQNKTG-UHFFFAOYSA-N 0 0 191.230 1.859 10 0 ADAERN CC(=O)c1cc(C[C@H]2CCOC2)[nH]n1 259220500 573886883 /nfs/dbraw/zinc/88/68/83/573886883.db2.gz LUFCLDPDQHRAKI-MRVPVSSYSA-N 0 0 194.234 1.191 10 0 ADAERN CC1(C)CC(=O)CC[C@]1(C)CO 238179956 573886900 /nfs/dbraw/zinc/88/69/00/573886900.db2.gz CNSKQYDZJOXBAK-SNVBAGLBSA-N 0 0 170.252 1.764 10 0 ADAERN CC(=O)[C@@](C)(N)[C@H](O)c1ccccc1 238180378 573886905 /nfs/dbraw/zinc/88/69/05/573886905.db2.gz SUPILDJNIZEMLA-GHMZBOCLSA-N 0 0 193.246 1.026 10 0 ADAERN Cc1c[nH]c(C)c1CCCO 238554244 573886910 /nfs/dbraw/zinc/88/69/10/573886910.db2.gz GUWIZAJNBNSLAX-UHFFFAOYSA-N 0 0 153.225 1.556 10 0 ADAERN COC(C)(C)CO[C@@H](C)CC(C)=O 393596169 573886912 /nfs/dbraw/zinc/88/69/12/573886912.db2.gz ZHYFFDUHEKFFCZ-VIFPVBQESA-N 0 0 188.267 1.796 10 0 ADAERN O[C@@H](Cc1ccsc1)c1ncc[nH]1 87339766 573886913 /nfs/dbraw/zinc/88/69/13/573886913.db2.gz OONDJKNDOUJHBI-QMMMGPOBSA-N 0 0 194.259 1.747 10 0 ADAERN CC[C@@H](C)[C@H]([NH2+]C)c1ncc[nH]1 87341550 573886932 /nfs/dbraw/zinc/88/69/32/573886932.db2.gz IPIYKWAXONBQMR-SFYZADRCSA-N 0 0 167.256 1.716 10 0 ADAERN CCCC[C@@H](C)N1C(=O)CN[C@H]1C 122995775 573886935 /nfs/dbraw/zinc/88/69/35/573886935.db2.gz GICGFJQJEMBAHT-RKDXNWHRSA-N 0 0 184.283 1.343 10 0 ADAERN Cc1ccncc1C(=O)c1ncc[nH]1 87339339 573886944 /nfs/dbraw/zinc/88/69/44/573886944.db2.gz NPONUXZADSCQLQ-UHFFFAOYSA-N 0 0 187.202 1.344 10 0 ADAERN c1cnnc([C@@H]2CCCO2)c1 259579520 573886950 /nfs/dbraw/zinc/88/69/50/573886950.db2.gz YBSNXUCCZBAAIW-QMMMGPOBSA-N 0 0 150.181 1.328 10 0 ADAERN CSc1ccc2c(c1)C(=O)NC2=O 80175788 573886953 /nfs/dbraw/zinc/88/69/53/573886953.db2.gz LYAACEIZCVMMAB-UHFFFAOYSA-N 0 0 193.227 1.292 10 0 ADAERN CCc1c[nH]c([C@H](CC)C(=O)OC)n1 259218804 573886955 /nfs/dbraw/zinc/88/69/55/573886955.db2.gz ZEEVLFFWJOBFIP-QMMMGPOBSA-N 0 0 196.250 1.639 10 0 ADAERN COc1cccc([C@H](O)OC)c1 80273075 573886964 /nfs/dbraw/zinc/88/69/64/573886964.db2.gz YKTJLDWDLQTXEU-SECBINFHSA-N 0 0 168.192 1.333 10 0 ADAERN NC(=S)c1nccn1C1CCCC1 87343810 573886969 /nfs/dbraw/zinc/88/69/69/573886969.db2.gz XGQDITOSWWHMER-UHFFFAOYSA-N 0 0 195.291 1.632 10 0 ADAERN Nc1cc(-c2ccncc2)on1 84427407 573886971 /nfs/dbraw/zinc/88/69/71/573886971.db2.gz DWPMUOOEGRCLFP-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN C[NH2+][C@@H](C=C(C)C)c1ncc[nH]1 87341411 573887004 /nfs/dbraw/zinc/88/70/04/573887004.db2.gz MCNLNANGZNCYFW-QMMMGPOBSA-N 0 0 165.240 1.636 10 0 ADAERN C/C=C/C(=O)N(C)CCOC(C)(C)C 690069358 573887009 /nfs/dbraw/zinc/88/70/09/573887009.db2.gz DHNGWDHOWLUZOC-VOTSOKGWSA-N 0 0 199.294 1.836 10 0 ADAERN O=C1CCSC[C@H](C2CCC2)N1 257893627 573887014 /nfs/dbraw/zinc/88/70/14/573887014.db2.gz NUWZLORTDWPUFN-MRVPVSSYSA-N 0 0 185.292 1.408 10 0 ADAERN Cc1csc(-n2ccnc2C[NH3+])n1 87343358 573887017 /nfs/dbraw/zinc/88/70/17/573887017.db2.gz GAZXIUDEYWYQEQ-UHFFFAOYSA-N 0 0 194.263 1.096 10 0 ADAERN O[C@@H](c1cncc(F)c1)c1ncc[nH]1 87340278 573887066 /nfs/dbraw/zinc/88/70/66/573887066.db2.gz FCDNKYZABMGGJB-QMMMGPOBSA-N 0 0 193.181 1.026 10 0 ADAERN Cc1nc(CNC2CC(O)C2)cs1 84442932 573887079 /nfs/dbraw/zinc/88/70/79/573887079.db2.gz KIYGZIJSGJTADF-UHFFFAOYSA-N 0 0 198.291 1.064 10 0 ADAERN O=C(CC1CCOCC1)c1ncc[nH]1 87339312 573887095 /nfs/dbraw/zinc/88/70/95/573887095.db2.gz RUBNQTCPVDAZOV-UHFFFAOYSA-N 0 0 194.234 1.409 10 0 ADAERN CC(C)c1coc([C@@H]2COCCN2)n1 257893902 573887098 /nfs/dbraw/zinc/88/70/98/573887098.db2.gz XRFTXNNIGARRPW-VIFPVBQESA-N 0 0 196.250 1.459 10 0 ADAERN C[NH2+][C@H]([C@H](C)CC(=O)[O-])C(C)(C)C 259220316 573887118 /nfs/dbraw/zinc/88/71/18/573887118.db2.gz GCMQZDNUBBHXCN-VXNVDRBHSA-N 0 0 187.283 1.731 10 0 ADAERN O=CC1=NO[C@@H](c2cccc(F)c2)C1 257893879 573887121 /nfs/dbraw/zinc/88/71/21/573887121.db2.gz XQQBJIBBFCELBT-SNVBAGLBSA-N 0 0 193.177 1.842 10 0 ADAERN COC(=O)C1(C(C)(C)O)CCCC1 205916539 573887123 /nfs/dbraw/zinc/88/71/23/573887123.db2.gz MZHKPEFRZIPZGE-UHFFFAOYSA-N 0 0 186.251 1.491 10 0 ADAERN N#CN1C2CCCC1CCC2 238554245 573887140 /nfs/dbraw/zinc/88/71/40/573887140.db2.gz LWLVXRKQCYOQAK-UHFFFAOYSA-N 0 0 150.225 1.874 10 0 ADAERN CCNc1ccnc(-c2ncc[nH]2)n1 87342809 573889347 /nfs/dbraw/zinc/88/93/47/573889347.db2.gz FNMXQUCLPLRODN-UHFFFAOYSA-N 0 0 189.222 1.299 10 0 ADAERN COC(=O)[C@@H](F)Cc1cccc(O)c1 257892789 573887150 /nfs/dbraw/zinc/88/71/50/573887150.db2.gz XJJXIPOTRSNEQN-VIFPVBQESA-N 0 0 198.193 1.446 10 0 ADAERN O=C1NC=CC=C[C@H]1C(F)(F)F 238554380 573887157 /nfs/dbraw/zinc/88/71/57/573887157.db2.gz LXGWPTSMWITGPH-RXMQYKEDSA-N 0 0 177.125 1.365 10 0 ADAERN C[NH2+][C@@H](c1ncc[nH]1)C1CCCC1 87341426 573887159 /nfs/dbraw/zinc/88/71/59/573887159.db2.gz XXTINXCREKBLPE-SECBINFHSA-N 0 0 179.267 1.860 10 0 ADAERN CO[C@H](C)[C@H](O)CC(=O)C(C)(C)C 393568252 573887165 /nfs/dbraw/zinc/88/71/65/573887165.db2.gz QSANOOICYYVISE-HTQZYQBOSA-N 0 0 188.267 1.388 10 0 ADAERN Cn1cc(S[C@@H]2CCC(=O)C2)cn1 84432907 573887175 /nfs/dbraw/zinc/88/71/75/573887175.db2.gz LPVXAAZKTNTOCU-MRVPVSSYSA-N 0 0 196.275 1.634 10 0 ADAERN O=C(Cc1ccccn1)c1ncc[nH]1 87339578 573887177 /nfs/dbraw/zinc/88/71/77/573887177.db2.gz SOGLEHHWXYCOKW-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN CC[C@H](O)[C@H](C)N(C)CC(F)(F)F 44161320 573887195 /nfs/dbraw/zinc/88/71/95/573887195.db2.gz NGULQPAIEJRWDQ-BQBZGAKWSA-N 0 0 199.216 1.640 10 0 ADAERN CCCCCSCO 80179942 573888185 /nfs/dbraw/zinc/88/81/85/573888185.db2.gz JNLDPLOSDUTCJZ-UHFFFAOYSA-N 0 0 134.244 1.860 10 0 ADAERN c1csc(NC2COC2)c1 76590665 573887204 /nfs/dbraw/zinc/88/72/04/573887204.db2.gz YUWTXPJCYRLJCL-UHFFFAOYSA-N 0 0 155.222 1.559 10 0 ADAERN CCC[C@H](O)c1ncc[nH]1 87339840 573887211 /nfs/dbraw/zinc/88/72/11/573887211.db2.gz HVUBADCTUSXSFC-LURJTMIESA-N 0 0 140.186 1.243 10 0 ADAERN CC[C@H](C)[C@@H](O)C1(O)CCCC1 101970937 573887227 /nfs/dbraw/zinc/88/72/27/573887227.db2.gz HDCXFQJQWPFHOZ-DTWKUNHWSA-N 0 0 172.268 1.699 10 0 ADAERN Cc1cn2cnnc2cc1F 238554802 573887229 /nfs/dbraw/zinc/88/72/29/573887229.db2.gz WZJODMJRFKUHRZ-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN CC[C@@]1(C)N[C@H](CC(C)C)C(=O)N1C 69951123 573887261 /nfs/dbraw/zinc/88/72/61/573887261.db2.gz VLNJIRWKGUBRGL-KOLCDFICSA-N 0 0 198.310 1.589 10 0 ADAERN Cc1csc(NC2CC(O)C2)n1 84443483 573887264 /nfs/dbraw/zinc/88/72/64/573887264.db2.gz FDJLXPVTNXSIQN-UHFFFAOYSA-N 0 0 184.264 1.387 10 0 ADAERN Nc1ncc(-c2ccccc2N)cn1 257893528 573887282 /nfs/dbraw/zinc/88/72/82/573887282.db2.gz NTCQQFWHGKGYKL-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN CC1=CC[C@H]2CC(=O)[C@H]12 101857612 573887301 /nfs/dbraw/zinc/88/73/01/573887301.db2.gz HHXXRLCEOWHRNW-POYBYMJQSA-N 0 0 122.167 1.542 10 0 ADAERN Cc1nc(N)cc(C(F)F)c1O 238549408 573887302 /nfs/dbraw/zinc/88/73/02/573887302.db2.gz XXOSXODQYKPJOV-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN Cc1cc(C2CCOCC2)n(C)n1 258986439 573887313 /nfs/dbraw/zinc/88/73/13/573887313.db2.gz FOEXJKMDNSMEME-UHFFFAOYSA-N 0 0 180.251 1.623 10 0 ADAERN Cc1ccc(-c2cc(N)no2)o1 84427673 573887315 /nfs/dbraw/zinc/88/73/15/573887315.db2.gz MOOYFTUTBLLTGQ-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN CC[C@@H](C)C[C@H](O)c1ncc[nH]1 87339700 573887319 /nfs/dbraw/zinc/88/73/19/573887319.db2.gz HKUGQSYCYCQBOY-SFYZADRCSA-N 0 0 168.240 1.879 10 0 ADAERN CC(C)C(=O)N[C@]1(C)C[C@H]1C 222442384 573887320 /nfs/dbraw/zinc/88/73/20/573887320.db2.gz NSWIHXGPOIKPPF-VXNVDRBHSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1cccc2c(C(N)=O)cn(C)c12 80179507 573887329 /nfs/dbraw/zinc/88/73/29/573887329.db2.gz GCPMDELEIVUFBA-UHFFFAOYSA-N 0 0 188.230 1.586 10 0 ADAERN Cc1cccc2c1[C@@H](O)CC2=O 238549456 573887364 /nfs/dbraw/zinc/88/73/64/573887364.db2.gz QMADHDIUDYOMKK-VIFPVBQESA-N 0 0 162.188 1.615 10 0 ADAERN Cc1cn2nc(C(C)(C)C)nc2[nH]1 238554851 573887384 /nfs/dbraw/zinc/88/73/84/573887384.db2.gz UEHLIESFCGYJBE-UHFFFAOYSA-N 0 0 178.239 1.663 10 0 ADAERN CC12CC(O)(C1)C[C@@]2(C)CCO 238180044 573888195 /nfs/dbraw/zinc/88/81/95/573888195.db2.gz WBOBLXDRSIXWLZ-XNWIYYODSA-N 0 0 170.252 1.310 10 0 ADAERN CC[C@@H]([NH2+]C)c1ncc[nH]1 87341615 573887408 /nfs/dbraw/zinc/88/74/08/573887408.db2.gz XJHHUWZLNHZYOD-ZCFIWIBFSA-N 0 0 139.202 1.080 10 0 ADAERN Cc1ccc(CCCO)c(N(C)C)c1 259577389 573887421 /nfs/dbraw/zinc/88/74/21/573887421.db2.gz XXICBKGVZRWZBO-UHFFFAOYSA-N 0 0 193.290 1.986 10 0 ADAERN C[NH2+][C@H](C1CCC1)[C@@H](C)C(=O)[O-] 259220322 573887422 /nfs/dbraw/zinc/88/74/22/573887422.db2.gz GCNGJSOWHBQGSN-SVRRBLITSA-N 0 0 171.240 1.095 10 0 ADAERN OC1CC(Nc2ccccn2)C1 84443546 573887428 /nfs/dbraw/zinc/88/74/28/573887428.db2.gz SRJRLBRUNLEZKF-UHFFFAOYSA-N 0 0 164.208 1.017 10 0 ADAERN N[C@@H](c1cccc(F)c1)c1ncc[nH]1 87340697 573887448 /nfs/dbraw/zinc/88/74/48/573887448.db2.gz SJIVSTPNKMQKDZ-VIFPVBQESA-N 0 0 191.209 1.597 10 0 ADAERN CC(C)Cc1ccnc(C(C)(C)O)n1 259219250 573887470 /nfs/dbraw/zinc/88/74/70/573887470.db2.gz XUZDDCUABSHQDX-UHFFFAOYSA-N 0 0 194.278 1.903 10 0 ADAERN CC1=NO[C@H]2CCCCC(=O)[C@@H]12 144910337 573887482 /nfs/dbraw/zinc/88/74/82/573887482.db2.gz BJMZAEIFIHKGBE-DTWKUNHWSA-N 0 0 167.208 1.520 10 0 ADAERN CC[C@H](C)n1ccnc1C(N)=S 87343817 573888199 /nfs/dbraw/zinc/88/81/99/573888199.db2.gz MXYYPERSZGVOPZ-LURJTMIESA-N 0 0 183.280 1.488 10 0 ADAERN CC(C)(C)[C@H](O)C/C=C/CO 238180050 573887498 /nfs/dbraw/zinc/88/74/98/573887498.db2.gz YJINDSOLAGWZQT-WTSVBCDHSA-N 0 0 158.241 1.332 10 0 ADAERN O[C@H](c1ncc[nH]1)C1CCCC1 87340359 573887510 /nfs/dbraw/zinc/88/75/10/573887510.db2.gz XTCXWCKNUXIIKZ-QMMMGPOBSA-N 0 0 166.224 1.633 10 0 ADAERN C[NH2+]CC1(F)CCC(C(=O)[O-])CC1 257893904 573887548 /nfs/dbraw/zinc/88/75/48/573887548.db2.gz XRFUCERPLJTJSY-UHFFFAOYSA-N 0 0 189.230 1.189 10 0 ADAERN CC1(C)C=C[C@@](C)(CO)CO1 238180164 573887560 /nfs/dbraw/zinc/88/75/60/573887560.db2.gz DHQHZQKOKHIEFZ-VIFPVBQESA-N 0 0 156.225 1.350 10 0 ADAERN O[C@@H](Cc1nccs1)c1ncc[nH]1 87339999 573887591 /nfs/dbraw/zinc/88/75/91/573887591.db2.gz MJKVCDXTLCSOOQ-LURJTMIESA-N 0 0 195.247 1.142 10 0 ADAERN Cc1ccnc(-n2ccnc2C[NH3+])c1 87343357 573887605 /nfs/dbraw/zinc/88/76/05/573887605.db2.gz MHUMXYYGVIMVCP-UHFFFAOYSA-N 0 0 188.234 1.034 10 0 ADAERN C[C@H](O)c1cccc(CON)c1 259579461 573887610 /nfs/dbraw/zinc/88/76/10/573887610.db2.gz YASUZCOZKPBVFG-ZETCQYMHSA-N 0 0 167.208 1.130 10 0 ADAERN CN[C@H](c1ccoc1)c1ncc[nH]1 87341291 573887616 /nfs/dbraw/zinc/88/76/16/573887616.db2.gz MOAXNGVRDHJMIG-MRVPVSSYSA-N 0 0 177.207 1.312 10 0 ADAERN CCCCOC(=O)[C@@H]1CC[C@@H](C)O1 127510729 573887628 /nfs/dbraw/zinc/88/76/28/573887628.db2.gz PCJWRINQGUXQFU-BDAKNGLRSA-N 0 0 186.251 1.897 10 0 ADAERN CC(=O)c1ccc(N(C)C#N)cc1 259220787 573887650 /nfs/dbraw/zinc/88/76/50/573887650.db2.gz KGSUCAWOSHAWRV-UHFFFAOYSA-N 0 0 174.203 1.806 10 0 ADAERN COC(=O)[C@H](F)Cc1cccc(O)c1 257892787 573887655 /nfs/dbraw/zinc/88/76/55/573887655.db2.gz XJJXIPOTRSNEQN-SECBINFHSA-N 0 0 198.193 1.446 10 0 ADAERN CC1CCC([C@H](C)NC(N)=O)CC1 238179691 573887668 /nfs/dbraw/zinc/88/76/68/573887668.db2.gz NFWXEISINLLOBD-MGURRDGZSA-N 0 0 184.283 1.870 10 0 ADAERN COc1c(O)ccc(C(C)=O)c1F 258171145 573887677 /nfs/dbraw/zinc/88/76/77/573887677.db2.gz VWAMNJOSESSFQL-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN COC(C)(C)CO[C@H](C)CC(C)=O 393596168 573887705 /nfs/dbraw/zinc/88/77/05/573887705.db2.gz ZHYFFDUHEKFFCZ-SECBINFHSA-N 0 0 188.267 1.796 10 0 ADAERN C[C@@H]([NH3+])c1cnc(-c2ncc[nH]2)s1 87342465 573887711 /nfs/dbraw/zinc/88/77/11/573887711.db2.gz YWYDTFJCQXZWFU-RXMQYKEDSA-N 0 0 194.263 1.553 10 0 ADAERN CC1CCC([C@](C)(O)CCO)CC1 238179832 573887712 /nfs/dbraw/zinc/88/77/12/573887712.db2.gz MPTKABYGGKOFOA-VQXHTEKXSA-N 0 0 186.295 1.946 10 0 ADAERN CC1=C[C@@H]2[C@@H](O)C[C@@H]2C1(C)C 238179770 573887826 /nfs/dbraw/zinc/88/78/26/573887826.db2.gz RXTHDYDYERDLCA-CIUDSAMLSA-N 0 0 152.237 1.970 10 0 ADAERN Cc1n[nH]c(C)c1NC1CC1 76589228 573887769 /nfs/dbraw/zinc/88/77/69/573887769.db2.gz ACMOWKTZXGHLCE-UHFFFAOYSA-N 0 0 151.213 1.601 10 0 ADAERN O=C(NC1CC(O)C1)C1CCCCC1 84442462 573887780 /nfs/dbraw/zinc/88/77/80/573887780.db2.gz LWMNYIFYFYAKHT-UHFFFAOYSA-N 0 0 197.278 1.206 10 0 ADAERN Cc1ccc([C@@H](O)c2ncc[nH]2)cn1 87339790 573887785 /nfs/dbraw/zinc/88/77/85/573887785.db2.gz KVQGNYSOQRGRQS-SECBINFHSA-N 0 0 189.218 1.195 10 0 ADAERN Cc1nncc2nc3ccccc3n12 238549450 573887869 /nfs/dbraw/zinc/88/78/69/573887869.db2.gz SMOSGIPANHPXIK-UHFFFAOYSA-N 0 0 184.202 1.586 10 0 ADAERN CC[C@]1(C)N[C@H](CC(C)C)C(=O)N1C 69951122 573887884 /nfs/dbraw/zinc/88/78/84/573887884.db2.gz VLNJIRWKGUBRGL-MWLCHTKSSA-N 0 0 198.310 1.589 10 0 ADAERN O[C@H](c1cncc(F)c1)c1ncc[nH]1 87340276 573887890 /nfs/dbraw/zinc/88/78/90/573887890.db2.gz FCDNKYZABMGGJB-MRVPVSSYSA-N 0 0 193.181 1.026 10 0 ADAERN CC[C@H](C)[C@@H](O)c1ncc[nH]1 87340211 573887897 /nfs/dbraw/zinc/88/78/97/573887897.db2.gz YDBTXOOTRCMFHJ-NKWVEPMBSA-N 0 0 154.213 1.489 10 0 ADAERN CCCCOC(=O)[C@H]1CC[C@@H](C)O1 127510941 573887903 /nfs/dbraw/zinc/88/79/03/573887903.db2.gz PCJWRINQGUXQFU-RKDXNWHRSA-N 0 0 186.251 1.897 10 0 ADAERN C[NH2+][C@H](c1ncc[nH]1)C1CCCC1 87341428 573887908 /nfs/dbraw/zinc/88/79/08/573887908.db2.gz XXTINXCREKBLPE-VIFPVBQESA-N 0 0 179.267 1.860 10 0 ADAERN Cc1cc(C(C)(C)C)nc(C(N)=O)n1 258985217 573887914 /nfs/dbraw/zinc/88/79/14/573887914.db2.gz BQZFXQAZMHZFGG-UHFFFAOYSA-N 0 0 193.250 1.181 10 0 ADAERN CC[C@@H](O)[C@@H](C)N(C)CC(F)(F)F 44161318 573887936 /nfs/dbraw/zinc/88/79/36/573887936.db2.gz NGULQPAIEJRWDQ-RNFRBKRXSA-N 0 0 199.216 1.640 10 0 ADAERN CC1CCC([C@@H](C)NC(N)=O)CC1 238179439 573887937 /nfs/dbraw/zinc/88/79/37/573887937.db2.gz NFWXEISINLLOBD-QJAFJHJLSA-N 0 0 184.283 1.870 10 0 ADAERN CC(C)(C)[C@@H]1CNC(=S)O1 80177243 573887947 /nfs/dbraw/zinc/88/79/47/573887947.db2.gz BAFJOSVBICCLLK-YFKPBYRVSA-N 0 0 159.254 1.306 10 0 ADAERN CCc1nsc(NC2CC(O)C2)n1 84443533 573887952 /nfs/dbraw/zinc/88/79/52/573887952.db2.gz QWFZPCSBERJTEC-UHFFFAOYSA-N 0 0 199.279 1.036 10 0 ADAERN CCNc1nc(NC)ncc1F 84442624 573887958 /nfs/dbraw/zinc/88/79/58/573887958.db2.gz VQDMYYMENTYTEE-UHFFFAOYSA-N 0 0 170.191 1.089 10 0 ADAERN CNc1ccnc(NC(C)C)n1 84428444 573887964 /nfs/dbraw/zinc/88/79/64/573887964.db2.gz VIBDJXBVPOKYFH-UHFFFAOYSA-N 0 0 166.228 1.339 10 0 ADAERN O=C(Cc1cccs1)c1ncc[nH]1 87339427 573887970 /nfs/dbraw/zinc/88/79/70/573887970.db2.gz KFYDVWZJCLAXCN-UHFFFAOYSA-N 0 0 192.243 1.897 10 0 ADAERN Cc1ccc([C@@H](N)c2ncc[nH]2)cn1 87340555 573887980 /nfs/dbraw/zinc/88/79/80/573887980.db2.gz FBAJTJQLARVGIO-SECBINFHSA-N 0 0 188.234 1.161 10 0 ADAERN CC(C)(O)CC(F)(F)F 101946648 573888008 /nfs/dbraw/zinc/88/80/08/573888008.db2.gz JAEXQVDCHANQSG-UHFFFAOYSA-N 0 0 142.120 1.710 10 0 ADAERN CC1CCC([C@](C)(O)CO)CC1 238179849 573888012 /nfs/dbraw/zinc/88/80/12/573888012.db2.gz BOEFSWKEQSPORV-UDNWOFFPSA-N 0 0 172.268 1.556 10 0 ADAERN O=Cc1csc(-c2ncc[nH]2)n1 87339068 573888018 /nfs/dbraw/zinc/88/80/18/573888018.db2.gz GNWVFCGFDMLUHZ-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN CC[C@H](C)[C@H](O)c1ncc[nH]1 87340207 573888039 /nfs/dbraw/zinc/88/80/39/573888039.db2.gz YDBTXOOTRCMFHJ-BQBZGAKWSA-N 0 0 154.213 1.489 10 0 ADAERN CNNc1ccccc1C 145042582 573888232 /nfs/dbraw/zinc/88/82/32/573888232.db2.gz ZHZQUXWDHQHYGF-UHFFFAOYSA-N 0 0 136.198 1.541 10 0 ADAERN CC[C@@H](CCCC(=O)[O-])[NH2+]C 259577226 573888064 /nfs/dbraw/zinc/88/80/64/573888064.db2.gz XAEUYOUEZJGYBK-ZETCQYMHSA-N 0 0 159.229 1.239 10 0 ADAERN CC(C)[C@@H]1CC[C@@H]2O[C@@H]2C(=O)C1 238182209 573888072 /nfs/dbraw/zinc/88/80/72/573888072.db2.gz AZHOYBCMDQBGBT-FKTZTGRPSA-N 0 0 168.236 1.779 10 0 ADAERN O[C@@H](Cc1cccs1)c1ncc[nH]1 87340366 573888076 /nfs/dbraw/zinc/88/80/76/573888076.db2.gz NFQHOWTULXZYAI-QMMMGPOBSA-N 0 0 194.259 1.747 10 0 ADAERN COc1cc(O)c(CCO)c(F)c1 258171155 573888080 /nfs/dbraw/zinc/88/80/80/573888080.db2.gz VWFIRMRFXCGQQE-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN CC(C)C[C@@H](O)c1ncc[nH]1 87339845 573888087 /nfs/dbraw/zinc/88/80/87/573888087.db2.gz LTSXDWYUJGMTPS-SSDOTTSWSA-N 0 0 154.213 1.489 10 0 ADAERN O=C(c1ncc[nH]1)C1CCOCC1 87339558 573888099 /nfs/dbraw/zinc/88/80/99/573888099.db2.gz ONIVENUMAWBUQN-UHFFFAOYSA-N 0 0 180.207 1.019 10 0 ADAERN O[C@@H](c1ccsc1)c1ncc[nH]1 87340112 573888106 /nfs/dbraw/zinc/88/81/06/573888106.db2.gz YEIUQFSYSFNRME-ZETCQYMHSA-N 0 0 180.232 1.553 10 0 ADAERN CC[NH2+][C@H](C)c1ncc[nH]1 87342075 573888235 /nfs/dbraw/zinc/88/82/35/573888235.db2.gz SKNKVNKBKOSPLV-ZCFIWIBFSA-N 0 0 139.202 1.080 10 0 ADAERN CCCCOC(=O)[C@@H]1CC[C@H](C)O1 127510294 573888127 /nfs/dbraw/zinc/88/81/27/573888127.db2.gz PCJWRINQGUXQFU-IUCAKERBSA-N 0 0 186.251 1.897 10 0 ADAERN C[C@@H](O)Cc1cccc(C2COC2)c1 258171146 573888135 /nfs/dbraw/zinc/88/81/35/573888135.db2.gz VWBWLFVARPOIGV-SECBINFHSA-N 0 0 192.258 1.724 10 0 ADAERN CC1(C)ON(N=O)C(C)(C)C1=O 238180386 573888149 /nfs/dbraw/zinc/88/81/49/573888149.db2.gz ZZPKLBFMZHNOFS-UHFFFAOYSA-N 0 0 172.184 1.041 10 0 ADAERN O=C1[C@H]2C[C@H]2CN1Cc1ccco1 257892933 573888158 /nfs/dbraw/zinc/88/81/58/573888158.db2.gz GSGWLWKNVZYLOU-CBAPKCEASA-N 0 0 177.203 1.258 10 0 ADAERN CC[NH2+][C@@H](c1ncc[nH]1)C1CC1 87341799 573888160 /nfs/dbraw/zinc/88/81/60/573888160.db2.gz BNZYTULJWLPTKO-MRVPVSSYSA-N 0 0 165.240 1.470 10 0 ADAERN Cc1cccc2c1C[C@@](C)(CO)C2=O 144921462 573888166 /nfs/dbraw/zinc/88/81/66/573888166.db2.gz YJIAITLDEXXYII-LBPRGKRZSA-N 0 0 190.242 1.732 10 0 ADAERN O=C(CCCO)N1CCCCCC1 41203066 573888170 /nfs/dbraw/zinc/88/81/70/573888170.db2.gz AJZIFJGQQVLBKF-UHFFFAOYSA-N 0 0 185.267 1.162 10 0 ADAERN O[C@H](Cc1ccccc1)c1ncc[nH]1 87340024 573888254 /nfs/dbraw/zinc/88/82/54/573888254.db2.gz LHETUUWISPHUOL-SNVBAGLBSA-N 0 0 188.230 1.686 10 0 ADAERN CO[C@@](C)(CCO)c1ccccc1O 257893922 573888278 /nfs/dbraw/zinc/88/82/78/573888278.db2.gz XRNNGPXNMBKUOV-NSHDSACASA-N 0 0 196.246 1.636 10 0 ADAERN CC[C@@]1(C)N[C@@H](CC(C)C)C(=O)N1C 69951125 573888294 /nfs/dbraw/zinc/88/82/94/573888294.db2.gz VLNJIRWKGUBRGL-ONGXEEELSA-N 0 0 198.310 1.589 10 0 ADAERN N[C@H](c1ccsc1)c1ncc[nH]1 87340898 573888295 /nfs/dbraw/zinc/88/82/95/573888295.db2.gz AXNPATCAXLMWOJ-SSDOTTSWSA-N 0 0 179.248 1.519 10 0 ADAERN O=Cc1[nH]nc2sccc12 76589310 573888325 /nfs/dbraw/zinc/88/83/25/573888325.db2.gz IOORRWBYMLRJKS-UHFFFAOYSA-N 0 0 152.178 1.437 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1ncc[nH]1 87340209 573888306 /nfs/dbraw/zinc/88/83/06/573888306.db2.gz YDBTXOOTRCMFHJ-RNFRBKRXSA-N 0 0 154.213 1.489 10 0 ADAERN CC(=O)Cc1cccc(NC(C)=O)c1 80229804 573888307 /nfs/dbraw/zinc/88/83/07/573888307.db2.gz XLJBXFCNGGGADT-UHFFFAOYSA-N 0 0 191.230 1.777 10 0 ADAERN C[C@@H](O)C(=O)c1ccccc1F 84428879 573889364 /nfs/dbraw/zinc/88/93/64/573889364.db2.gz ARCUIEFXWVXXPS-ZCFIWIBFSA-N 0 0 168.167 1.389 10 0 ADAERN CCCC[C@H](O)c1ncc[nH]1 87339688 573889367 /nfs/dbraw/zinc/88/93/67/573889367.db2.gz YJSHWQJUHPYVBB-ZETCQYMHSA-N 0 0 154.213 1.633 10 0 ADAERN Cc1ccncc1[C@@H](N)c1ncc[nH]1 87340668 573888347 /nfs/dbraw/zinc/88/83/47/573888347.db2.gz SRYQWTJWSJFATG-SECBINFHSA-N 0 0 188.234 1.161 10 0 ADAERN C[C@H]1C(=O)Nc2ccc(N)cc2N1C 259220288 573888355 /nfs/dbraw/zinc/88/83/55/573888355.db2.gz LSMKXSUGODCQRK-LURJTMIESA-N 0 0 191.234 1.046 10 0 ADAERN Cc1ccccc1[C@@H](O)c1ncc[nH]1 87339663 573888377 /nfs/dbraw/zinc/88/83/77/573888377.db2.gz VVKZFXRXXAKBJN-SNVBAGLBSA-N 0 0 188.230 1.800 10 0 ADAERN CC1(C)CCC[C@]1(C[NH3+])CC(=O)[O-] 80265248 573888383 /nfs/dbraw/zinc/88/83/83/573888383.db2.gz DNHPJOLWCOXHOV-SNVBAGLBSA-N 0 0 185.267 1.616 10 0 ADAERN CC(C)(O)c1cccc(C(=O)CN)c1 259579575 573888386 /nfs/dbraw/zinc/88/83/86/573888386.db2.gz YCFCRZDWOREOMF-UHFFFAOYSA-N 0 0 193.246 1.055 10 0 ADAERN C=Cc1nc(-c2ncc[nH]2)no1 87338418 573888389 /nfs/dbraw/zinc/88/83/89/573888389.db2.gz RVWJTSHKOIGQPU-UHFFFAOYSA-N 0 0 162.152 1.103 10 0 ADAERN CC1CCC(O)([C@H](C)CCO)CC1 238179112 573888406 /nfs/dbraw/zinc/88/84/06/573888406.db2.gz TXNHCGXOUGQMFX-HSOILSAZSA-N 0 0 186.295 1.946 10 0 ADAERN CC1CCC([C@@](C)(O)CCO)CC1 238179597 573888427 /nfs/dbraw/zinc/88/84/27/573888427.db2.gz MPTKABYGGKOFOA-ILDUYXDCSA-N 0 0 186.295 1.946 10 0 ADAERN C[C@@H](O)c1csc(-c2ncc[nH]2)n1 87342598 573888439 /nfs/dbraw/zinc/88/84/39/573888439.db2.gz VVVWXKLTKPCBRX-RXMQYKEDSA-N 0 0 195.247 1.587 10 0 ADAERN CC(=O)c1nnc(CC(C)C)o1 84428906 573888440 /nfs/dbraw/zinc/88/84/40/573888440.db2.gz VPFPHHOOBOFLBO-UHFFFAOYSA-N 0 0 168.196 1.471 10 0 ADAERN C/C=C\CO[C@H](CC)C(=O)OCC 212955702 573888442 /nfs/dbraw/zinc/88/84/42/573888442.db2.gz CUNHAMNLPUBVAB-WQAKUFEDSA-N 0 0 186.251 1.921 10 0 ADAERN CC(=O)c1csc(-c2ncc[nH]2)n1 87342424 573888453 /nfs/dbraw/zinc/88/84/53/573888453.db2.gz ASENSEJOTUOIEM-UHFFFAOYSA-N 0 0 193.231 1.736 10 0 ADAERN N[C@H](c1ncc[nH]1)c1ccco1 87340949 573888464 /nfs/dbraw/zinc/88/84/64/573888464.db2.gz QWICLDQSKHLAJA-ZETCQYMHSA-N 0 0 163.180 1.051 10 0 ADAERN Cc1cccc2c1C[C@](C)(CO)C2=O 144921656 573888475 /nfs/dbraw/zinc/88/84/75/573888475.db2.gz YJIAITLDEXXYII-GFCCVEGCSA-N 0 0 190.242 1.732 10 0 ADAERN CC(C)C[C@H](O)c1ncc[nH]1 87339844 573888476 /nfs/dbraw/zinc/88/84/76/573888476.db2.gz LTSXDWYUJGMTPS-ZETCQYMHSA-N 0 0 154.213 1.489 10 0 ADAERN Cc1ccc([C@H](O)c2ncc[nH]2)cn1 87339789 573888485 /nfs/dbraw/zinc/88/84/85/573888485.db2.gz KVQGNYSOQRGRQS-VIFPVBQESA-N 0 0 189.218 1.195 10 0 ADAERN Cc1cc(N)c(O)c(C(F)F)n1 238561057 573888507 /nfs/dbraw/zinc/88/85/07/573888507.db2.gz UPRRRUMGGYQFFX-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN COC(=O)/C=C1\CCC[C@@H](OC)C1 80259560 573888520 /nfs/dbraw/zinc/88/85/20/573888520.db2.gz GNVDQUCQSWFQDR-FCZSHJHJSA-N 0 0 184.235 1.675 10 0 ADAERN O[C@H](CCC1CC1)c1ncc[nH]1 87339730 573888552 /nfs/dbraw/zinc/88/85/52/573888552.db2.gz YYYPMVXWYVIAJH-MRVPVSSYSA-N 0 0 166.224 1.633 10 0 ADAERN CCOCC[C@](C)(CO)C1CC1 127516407 573888564 /nfs/dbraw/zinc/88/85/64/573888564.db2.gz SCNWBUXZMSTEBE-SNVBAGLBSA-N 0 0 172.268 1.822 10 0 ADAERN CCC(=O)CCCCCO 80304088 573888565 /nfs/dbraw/zinc/88/85/65/573888565.db2.gz DSWFUOQBRIBDGN-UHFFFAOYSA-N 0 0 144.214 1.518 10 0 ADAERN C[NH2+]Cc1csc(-c2ncc[nH]2)n1 87342501 573888567 /nfs/dbraw/zinc/88/85/67/573888567.db2.gz BTMSTNAVGGNYAJ-UHFFFAOYSA-N 0 0 194.263 1.253 10 0 ADAERN Cc1ccsc1[C@H](N)c1ncc[nH]1 87340919 573889381 /nfs/dbraw/zinc/88/93/81/573889381.db2.gz JCYDQCJKXJCASO-ZETCQYMHSA-N 0 0 193.275 1.828 10 0 ADAERN CC1(C)OC[C@@H]([C@@H](O)c2ccc[nH]2)O1 238180275 573888607 /nfs/dbraw/zinc/88/86/07/573888607.db2.gz LMPMZCRRXBTATP-IUCAKERBSA-N 0 0 197.234 1.200 10 0 ADAERN CC(C)C[C@H](C)[C@@H](C)C(N)=O 238179681 573888611 /nfs/dbraw/zinc/88/86/11/573888611.db2.gz QKDWCODXGKCDKL-JGVFFNPUSA-N 0 0 157.257 1.790 10 0 ADAERN N[C@@H](c1ccsc1)c1ncc[nH]1 87340896 573888613 /nfs/dbraw/zinc/88/86/13/573888613.db2.gz AXNPATCAXLMWOJ-ZETCQYMHSA-N 0 0 179.248 1.519 10 0 ADAERN Clc1ccc(C2=NCCO2)cn1 238562099 573888630 /nfs/dbraw/zinc/88/86/30/573888630.db2.gz XKFXQARVGZRJBQ-UHFFFAOYSA-N 0 0 182.610 1.512 10 0 ADAERN O[C@H](CC1CCC1)c1ncc[nH]1 87339978 573888631 /nfs/dbraw/zinc/88/86/31/573888631.db2.gz RXAMXUBVAYVLSQ-MRVPVSSYSA-N 0 0 166.224 1.633 10 0 ADAERN CC(=O)[C@@](C)(N)[C@@H](O)c1ccccc1 238180356 573888649 /nfs/dbraw/zinc/88/86/49/573888649.db2.gz SUPILDJNIZEMLA-WDEREUQCSA-N 0 0 193.246 1.026 10 0 ADAERN Cn1c(N)c2ccccc2nc1=S 238561359 573888650 /nfs/dbraw/zinc/88/86/50/573888650.db2.gz MQCNJCGDRLHDBF-UHFFFAOYSA-N 0 0 191.259 1.715 10 0 ADAERN CC12CC(O)(C1)C[C@]2(C)CCO 238180063 573888673 /nfs/dbraw/zinc/88/86/73/573888673.db2.gz WBOBLXDRSIXWLZ-IDKOKCKLSA-N 0 0 170.252 1.310 10 0 ADAERN Cc1ccccc1[C@H](O)c1ncc[nH]1 87339660 573888679 /nfs/dbraw/zinc/88/86/79/573888679.db2.gz VVKZFXRXXAKBJN-JTQLQIEISA-N 0 0 188.230 1.800 10 0 ADAERN CC1(C)CC(=O)CC(CO)CC(=O)C1 238179407 573888693 /nfs/dbraw/zinc/88/86/93/573888693.db2.gz QVWGJFFXJNYNKT-UHFFFAOYSA-N 0 0 198.262 1.333 10 0 ADAERN C[C@H](O)/C=C\Br 222767485 573888706 /nfs/dbraw/zinc/88/87/06/573888706.db2.gz WQEPRWPPMOXXNC-SWOZAWMQSA-N 0 0 151.003 1.276 10 0 ADAERN N#CN(C(N)=O)c1ccccc1 238561467 573888742 /nfs/dbraw/zinc/88/87/42/573888742.db2.gz ZKVAMMXFWNEEGD-UHFFFAOYSA-N 0 0 161.164 1.053 10 0 ADAERN CC(=O)CCCNc1cccnc1 258990344 573888749 /nfs/dbraw/zinc/88/87/49/573888749.db2.gz XKBHSXPUXXPQPT-UHFFFAOYSA-N 0 0 178.235 1.863 10 0 ADAERN Cc1ccncc1[C@H](N)c1ncc[nH]1 87340666 573888786 /nfs/dbraw/zinc/88/87/86/573888786.db2.gz SRYQWTJWSJFATG-VIFPVBQESA-N 0 0 188.234 1.161 10 0 ADAERN CCN1C(=O)Cc2cc(N)cc(F)c21 102254903 573888792 /nfs/dbraw/zinc/88/87/92/573888792.db2.gz HJSVRUHRUQTDKA-UHFFFAOYSA-N 0 0 194.209 1.317 10 0 ADAERN O[C@@H](Cc1ccncc1)c1ncc[nH]1 87339982 573888811 /nfs/dbraw/zinc/88/88/11/573888811.db2.gz YZMDMABWMJAHOV-VIFPVBQESA-N 0 0 189.218 1.081 10 0 ADAERN ClC1=CC=C[C@H]2NC=CN12 102175011 573888816 /nfs/dbraw/zinc/88/88/16/573888816.db2.gz DVLKRTQMMQOSPN-ZETCQYMHSA-N 0 0 154.600 1.339 10 0 ADAERN N[C@@H](c1ncc[nH]1)c1cccs1 87340842 573888821 /nfs/dbraw/zinc/88/88/21/573888821.db2.gz GBCQOUAZPKXDDX-SSDOTTSWSA-N 0 0 179.248 1.519 10 0 ADAERN Cc1cc2nc(N)nn2c(C(C)C)n1 238179482 573888822 /nfs/dbraw/zinc/88/88/22/573888822.db2.gz OYFSNGDNVHMFKC-UHFFFAOYSA-N 0 0 191.238 1.138 10 0 ADAERN CC(=O)Nc1nnc(CC(C)C)o1 238180099 573888827 /nfs/dbraw/zinc/88/88/27/573888827.db2.gz FNSYVPOCUKLXIP-UHFFFAOYSA-N 0 0 183.211 1.227 10 0 ADAERN COCCc1cn2c(n1)CC[C@H](C)C2 258172589 573888828 /nfs/dbraw/zinc/88/88/28/573888828.db2.gz DYNNIGBKPGCPHX-VIFPVBQESA-N 0 0 194.278 1.654 10 0 ADAERN O[C@H](Cc1ccncc1)c1ncc[nH]1 87339983 573888840 /nfs/dbraw/zinc/88/88/40/573888840.db2.gz YZMDMABWMJAHOV-SECBINFHSA-N 0 0 189.218 1.081 10 0 ADAERN CCCNc1ncc(F)c(N)n1 84442616 573888851 /nfs/dbraw/zinc/88/88/51/573888851.db2.gz ILLULGUVKCGFAC-UHFFFAOYSA-N 0 0 170.191 1.020 10 0 ADAERN CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@H]12 238179434 573888857 /nfs/dbraw/zinc/88/88/57/573888857.db2.gz OANJTJMNAQUPHO-AXFHLTTASA-N 0 0 174.199 1.750 10 0 ADAERN Cc1cc([C@@H](N)c2ncc[nH]2)cs1 87340422 573888865 /nfs/dbraw/zinc/88/88/65/573888865.db2.gz JYSKGVMIZVTMRS-MRVPVSSYSA-N 0 0 193.275 1.828 10 0 ADAERN O=C(Cc1nccs1)c1ncc[nH]1 87339541 573888875 /nfs/dbraw/zinc/88/88/75/573888875.db2.gz PBTUURXMEGKMRM-UHFFFAOYSA-N 0 0 193.231 1.292 10 0 ADAERN C[C@H](O)c1ccccc1C1(O)CC1 259577235 573888880 /nfs/dbraw/zinc/88/88/80/573888880.db2.gz XVBSXWYGRMAOKO-QMMMGPOBSA-N 0 0 178.231 1.721 10 0 ADAERN CC[C@H](O)[C@@H](C)OCC(F)(F)F 44192202 573888900 /nfs/dbraw/zinc/88/89/00/573888900.db2.gz OZBZAGDQMGXNFF-RITPCOANSA-N 0 0 186.173 1.725 10 0 ADAERN Clc1ccc(C2=NOCCN2)cc1 238562181 573888910 /nfs/dbraw/zinc/88/89/10/573888910.db2.gz UHVGRJCZTKOAKX-UHFFFAOYSA-N 0 0 196.637 1.621 10 0 ADAERN CC[C@H](O)[C@H](C)OCC1CC1 44231945 573888912 /nfs/dbraw/zinc/88/89/12/573888912.db2.gz JUDCAGZLSICWAM-CBAPKCEASA-N 0 0 158.241 1.572 10 0 ADAERN CCC[C@@H](O)[C@@H](CC)n1cncn1 44183220 573889388 /nfs/dbraw/zinc/88/93/88/573889388.db2.gz HYLJRSJMBKXHKH-RKDXNWHRSA-N 0 0 183.255 1.390 10 0 ADAERN CCN1C(=O)Cc2cccc(F)c21 102254892 573889390 /nfs/dbraw/zinc/88/93/90/573889390.db2.gz IEZFJLSVFSZISJ-UHFFFAOYSA-N 0 0 179.194 1.735 10 0 ADAERN CCCC[C@@H](O)c1ncc[nH]1 87339690 573889391 /nfs/dbraw/zinc/88/93/91/573889391.db2.gz YJSHWQJUHPYVBB-SSDOTTSWSA-N 0 0 154.213 1.633 10 0 ADAERN CC(=O)NO[C@H]1C=CCCCCC1 585089014 573888965 /nfs/dbraw/zinc/88/89/65/573888965.db2.gz KFJUVXRIEWVKRO-JTQLQIEISA-N 0 0 183.251 1.943 10 0 ADAERN CC[C@@H](C)[C@@H]1CSCC1=O 76593186 573888948 /nfs/dbraw/zinc/88/89/48/573888948.db2.gz AGVJWBWYVCGXFN-RQJHMYQMSA-N 0 0 158.266 1.965 10 0 ADAERN CC(C)=C1C=C(C(C)(C)O)C(=O)N1 238180145 573888953 /nfs/dbraw/zinc/88/89/53/573888953.db2.gz JTSKRARPQLNOPC-UHFFFAOYSA-N 0 0 181.235 1.107 10 0 ADAERN Cc1cccc(C(=O)CN)c1F 84428530 573888970 /nfs/dbraw/zinc/88/89/70/573888970.db2.gz XSHNYRMEIYPXPF-UHFFFAOYSA-N 0 0 167.183 1.276 10 0 ADAERN CCc1csc(NC2CC(O)C2)n1 84443520 573888990 /nfs/dbraw/zinc/88/89/90/573888990.db2.gz SQARDKVOUXJEGD-UHFFFAOYSA-N 0 0 198.291 1.641 10 0 ADAERN Cc1ccsc1[C@@H](O)c1ncc[nH]1 87339838 573888991 /nfs/dbraw/zinc/88/89/91/573888991.db2.gz RLVMGUFYCWSPEE-SSDOTTSWSA-N 0 0 194.259 1.861 10 0 ADAERN Cc1ccc(O)c(C(O)=S)c1 80303658 573889017 /nfs/dbraw/zinc/88/90/17/573889017.db2.gz QADWHSDYQFHZPU-UHFFFAOYSA-N 0 0 168.217 1.934 10 0 ADAERN C[C@@H](O)c1ccccc1OCCCO 41207336 573889403 /nfs/dbraw/zinc/88/94/03/573889403.db2.gz UFJQRQXEQHYPMD-SECBINFHSA-N 0 0 196.246 1.501 10 0 ADAERN O=Cc1ccc2nnsc2c1 76594746 573889044 /nfs/dbraw/zinc/88/90/44/573889044.db2.gz NCZNCVBBXHLPKB-UHFFFAOYSA-N 0 0 164.189 1.504 10 0 ADAERN Cc1cc(N)c(=O)[nH]c1C(F)F 238561475 573889093 /nfs/dbraw/zinc/88/90/93/573889093.db2.gz CYCUIKWFKNPDQL-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C[C@H](O)CCOCC(F)(F)F 44192009 573889397 /nfs/dbraw/zinc/88/93/97/573889397.db2.gz JQCWQUPAVLCGRE-YFKPBYRVSA-N 0 0 172.146 1.336 10 0 ADAERN CCCNc1nccc(NC)n1 84428441 573889100 /nfs/dbraw/zinc/88/91/00/573889100.db2.gz GGWNEPKRQGVEPV-UHFFFAOYSA-N 0 0 166.228 1.340 10 0 ADAERN Cc1ncc(NC2CCC2)cn1 76594595 573889101 /nfs/dbraw/zinc/88/91/01/573889101.db2.gz XJZSYGPPYHAUQP-UHFFFAOYSA-N 0 0 163.224 1.749 10 0 ADAERN COc1cccc(NC2CC(O)C2)n1 84443658 573889107 /nfs/dbraw/zinc/88/91/07/573889107.db2.gz FPXMUIXXCPREQU-UHFFFAOYSA-N 0 0 194.234 1.025 10 0 ADAERN Cc1cccnc1NC1CC(O)C1 84443566 573889109 /nfs/dbraw/zinc/88/91/09/573889109.db2.gz IKDQSOCSWULEKR-UHFFFAOYSA-N 0 0 178.235 1.325 10 0 ADAERN [NH3+][C@@H](SC1CCCCC1)C(=O)[O-] 259223247 573889114 /nfs/dbraw/zinc/88/91/14/573889114.db2.gz MMWPTKRHGSHUAP-ZETCQYMHSA-N 0 0 189.280 1.422 10 0 ADAERN CC(C)C[C@H]1CN(C)CCC1=O 76597579 573889399 /nfs/dbraw/zinc/88/93/99/573889399.db2.gz KGZXWZXVUCVJHN-VIFPVBQESA-N 0 0 169.268 1.553 10 0 ADAERN NC1=NC(=O)N(C2CCCCC2)CC1 238561777 573889144 /nfs/dbraw/zinc/88/91/44/573889144.db2.gz RGPCDOVFXQIZDJ-UHFFFAOYSA-N 0 0 195.266 1.712 10 0 ADAERN NOCC1(CCO)CCCCCC1 257894759 573889151 /nfs/dbraw/zinc/88/91/51/573889151.db2.gz NZBDILMRDJFPQO-UHFFFAOYSA-N 0 0 187.283 1.600 10 0 ADAERN O=C(CC1CC1)c1ncc[nH]1 87339334 573889152 /nfs/dbraw/zinc/88/91/52/573889152.db2.gz BMSJDAJSAJWROS-UHFFFAOYSA-N 0 0 150.181 1.393 10 0 ADAERN NC(=O)[C@H]1CC[C@@H]1Cc1ccccc1 238562507 573889153 /nfs/dbraw/zinc/88/91/53/573889153.db2.gz WWSIIZGZSXMOTN-MNOVXSKESA-N 0 0 189.258 1.741 10 0 ADAERN CCC[C@@H](O)c1ncc[nH]1 87339842 573889157 /nfs/dbraw/zinc/88/91/57/573889157.db2.gz HVUBADCTUSXSFC-ZCFIWIBFSA-N 0 0 140.186 1.243 10 0 ADAERN N#CN(C(N)=O)C1CCCCC1 238561446 573889163 /nfs/dbraw/zinc/88/91/63/573889163.db2.gz OAABBDWRJNAJRH-UHFFFAOYSA-N 0 0 167.212 1.181 10 0 ADAERN COC(=O)[C@@]12CCCC[C@H]1CC(=O)C2 257894919 573889169 /nfs/dbraw/zinc/88/91/69/573889169.db2.gz XUXICUOPSJXEJB-GZMMTYOYSA-N 0 0 196.246 1.699 10 0 ADAERN Cc1ccc(-c2csc(=O)[nH]2)cn1 238561730 573889255 /nfs/dbraw/zinc/88/92/55/573889255.db2.gz QMSWCDOMYSWIMZ-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN C[N@@H+](C1CC1)[C@H](C(=O)[O-])C1CCCC1 258986304 573889193 /nfs/dbraw/zinc/88/91/93/573889193.db2.gz FKWWPRKAHFAAHS-JTQLQIEISA-N 0 0 197.278 1.724 10 0 ADAERN C[NH2+][C@H](C=C(C)C)c1ncc[nH]1 87341412 573889208 /nfs/dbraw/zinc/88/92/08/573889208.db2.gz MCNLNANGZNCYFW-MRVPVSSYSA-N 0 0 165.240 1.636 10 0 ADAERN CC[C@@H](O)[C@H](C)OCC(F)(F)F 44192210 573889232 /nfs/dbraw/zinc/88/92/32/573889232.db2.gz OZBZAGDQMGXNFF-NTSWFWBYSA-N 0 0 186.173 1.725 10 0 ADAERN CC[C@@H](O)[C@H](C)OC[C@@H]1CCOC1 44237914 573893957 /nfs/dbraw/zinc/89/39/57/573893957.db2.gz WGLVWVJPJJAAJU-IVZWLZJFSA-N 0 0 188.267 1.199 10 0 ADAERN CNc1ncc(F)c(NC2CC2)n1 84447272 573893959 /nfs/dbraw/zinc/89/39/59/573893959.db2.gz VZHRICDYVHDYIM-UHFFFAOYSA-N 0 0 182.202 1.232 10 0 ADAERN CSCC(=O)O[C@H](C)C(F)F 393596413 573893963 /nfs/dbraw/zinc/89/39/63/573893963.db2.gz ZYOHICKPSXGJMI-SCSAIBSYSA-N 0 0 184.207 1.546 10 0 ADAERN CC[C@H](CO)SC 80344682 573893964 /nfs/dbraw/zinc/89/39/64/573893964.db2.gz HOTCDZJYDMTSAI-RXMQYKEDSA-N 0 0 120.217 1.120 10 0 ADAERN CNC(NC)c1cccs1 259223173 573891962 /nfs/dbraw/zinc/89/19/62/573891962.db2.gz GEIFUXAXXFBDTD-UHFFFAOYSA-N 0 0 156.254 1.186 10 0 ADAERN CCc1nccn1[C@H](C)[C@@H](O)CC 44189662 573892226 /nfs/dbraw/zinc/89/22/26/573892226.db2.gz TYZPXVHJRUKBGH-BDAKNGLRSA-N 0 0 182.267 1.777 10 0 ADAERN CC(C)(O)c1ncccc1O 102236795 573892232 /nfs/dbraw/zinc/89/22/32/573892232.db2.gz VBMDGVNJMINZCP-UHFFFAOYSA-N 0 0 153.181 1.015 10 0 ADAERN CC[C@@H](C)[C@H]1COCCC1=O 76591755 573892233 /nfs/dbraw/zinc/89/22/33/573892233.db2.gz VKZYGQNLOYHTCV-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN CCOCCO[C@@H]1CCCC[C@@H]1O 44217143 573892289 /nfs/dbraw/zinc/89/22/89/573892289.db2.gz IWDLYZXVRUTEFU-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CCC[C@@H](CC)NC=O 80387577 573892301 /nfs/dbraw/zinc/89/23/01/573892301.db2.gz BKZZEGHHXOAOGC-SSDOTTSWSA-N 0 0 129.203 1.311 10 0 ADAERN Cc1ccc(CON)c(N(C)C)c1 259577573 573892310 /nfs/dbraw/zinc/89/23/10/573892310.db2.gz XZBUBQWTDKMDAL-UHFFFAOYSA-N 0 0 180.251 1.451 10 0 ADAERN CCCCCCN1CN[C@@H](CC)C1=O 127529465 573892312 /nfs/dbraw/zinc/89/23/12/573892312.db2.gz TZMIEXGBRRYAJV-JTQLQIEISA-N 0 0 198.310 1.735 10 0 ADAERN CCC(=O)C1=C(O)CCC[C@@H]1C 197108250 573892325 /nfs/dbraw/zinc/89/23/25/573892325.db2.gz LZEQGVKQSVYRFE-XVKPBYJWSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CCC1=O 238180954 573892337 /nfs/dbraw/zinc/89/23/37/573892337.db2.gz AAZZBLBTQMSTBK-POYBYMJQSA-N 0 0 156.225 1.373 10 0 ADAERN CCC[C@@H](O)[C@@H](CC)n1cccn1 44182681 573891766 /nfs/dbraw/zinc/89/17/66/573891766.db2.gz ZKCINFZZHUHPGX-NXEZZACHSA-N 0 0 182.267 1.995 10 0 ADAERN CCCCCO[C@H]1COCC[C@@H]1O 44235630 573891643 /nfs/dbraw/zinc/89/16/43/573891643.db2.gz JTKGWBMPBAHMDR-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN COC(=O)[C@]12CCCC[C@@H]1CC(=O)C2 257894921 573891653 /nfs/dbraw/zinc/89/16/53/573891653.db2.gz XUXICUOPSJXEJB-KCJUWKMLSA-N 0 0 196.246 1.699 10 0 ADAERN CC[C@H](O)[C@H](C)OCCCOC 44190198 573891663 /nfs/dbraw/zinc/89/16/63/573891663.db2.gz XTJXKGJGPQTPJW-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN CCCC(C)(C)CNCC(=O)OC 258986329 573891772 /nfs/dbraw/zinc/89/17/72/573891772.db2.gz WZCCZNIXRQVFFO-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN O=C([O-])C(F)(F)CC1CC[NH2+]CC1 257893992 573891696 /nfs/dbraw/zinc/89/16/96/573891696.db2.gz XTDGXODFQGMXDM-UHFFFAOYSA-N 0 0 193.193 1.096 10 0 ADAERN Cc1nc(Cl)c2n1CCC[C@H]2O 258174264 573891725 /nfs/dbraw/zinc/89/17/25/573891725.db2.gz IGWKEWIZUBYENV-ZCFIWIBFSA-N 0 0 186.642 1.672 10 0 ADAERN OC[C@@H](O)C1CCCCCCC1 80389321 573891734 /nfs/dbraw/zinc/89/17/34/573891734.db2.gz WJGCSBCKAGFPFI-SNVBAGLBSA-N 0 0 172.268 1.700 10 0 ADAERN CSCCC(=O)c1cc[nH]c1 259223769 573891735 /nfs/dbraw/zinc/89/17/35/573891735.db2.gz RPLCBUZGMFETSE-UHFFFAOYSA-N 0 0 169.249 1.951 10 0 ADAERN C[C@@H](F)C(O)[C@@H](C)F 144975960 573891750 /nfs/dbraw/zinc/89/17/50/573891750.db2.gz LTPRZOCHUDXMBH-QWWZWVQMSA-N 0 0 124.130 1.063 10 0 ADAERN CC[C@@H]1CCC(C(C)=O)=C(O)C1 197107634 573891758 /nfs/dbraw/zinc/89/17/58/573891758.db2.gz DNZBUOKXNWFRGN-RKDXNWHRSA-N 0 0 168.236 1.971 10 0 ADAERN CC1(C)CC(=O)NC(=S)C1 238181124 573891761 /nfs/dbraw/zinc/89/17/61/573891761.db2.gz PXINMEOLKHBKQK-UHFFFAOYSA-N 0 0 157.238 1.250 10 0 ADAERN CCOC(=O)N[C@H]1C[C@@H]2CC[C@H]1O2 144947295 573891810 /nfs/dbraw/zinc/89/18/10/573891810.db2.gz DJZIKKVPKWVRNA-BIIVOSGPSA-N 0 0 185.223 1.052 10 0 ADAERN C[C@@H](CO)c1cccc2cnn(C)c12 258173819 573893133 /nfs/dbraw/zinc/89/31/33/573893133.db2.gz WCDRLNDGABPJTN-QMMMGPOBSA-N 0 0 190.246 1.669 10 0 ADAERN CC1=C[C@@]2(C)NC(=O)[C@@]2(C)C1 238180906 573891834 /nfs/dbraw/zinc/89/18/34/573891834.db2.gz NPFABTVPCQULJV-RKDXNWHRSA-N 0 0 151.209 1.231 10 0 ADAERN c1ccc(NC2CSC2)nc1 76595623 573891839 /nfs/dbraw/zinc/89/18/39/573891839.db2.gz XEGYQFYCZCAXLW-UHFFFAOYSA-N 0 0 166.249 1.609 10 0 ADAERN C[C@@H]1C(=O)N[C@H]2CCCC[C@@H]21 144933294 573891908 /nfs/dbraw/zinc/89/19/08/573891908.db2.gz MJLAOVZVESNDMT-RNJXMRFFSA-N 0 0 153.225 1.311 10 0 ADAERN C[N@@H+](C1CC1)[C@@H](C(=O)[O-])C1CCCC1 258986306 573891910 /nfs/dbraw/zinc/89/19/10/573891910.db2.gz FKWWPRKAHFAAHS-SNVBAGLBSA-N 0 0 197.278 1.724 10 0 ADAERN CCc1c(C)nn(CC[C@H](C)O)c1C 44187970 573891921 /nfs/dbraw/zinc/89/19/21/573891921.db2.gz UUGBCMJGGVRMKE-QMMMGPOBSA-N 0 0 196.294 1.833 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1ccco1 123004810 573891924 /nfs/dbraw/zinc/89/19/24/573891924.db2.gz NDPREJZHOYBQNA-XCBNKYQSSA-N 0 0 180.203 1.887 10 0 ADAERN Nc1ccn(C2CCCCC2)c(=O)c1 257894888 573891926 /nfs/dbraw/zinc/89/19/26/573891926.db2.gz XUMLSRAKHLOJEI-UHFFFAOYSA-N 0 0 192.262 1.936 10 0 ADAERN CCCCCO[C@H](C)[C@@H](C)O 44235662 573891933 /nfs/dbraw/zinc/89/19/33/573891933.db2.gz CJSLGFAWNVOWIO-RKDXNWHRSA-N 0 0 160.257 1.963 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH3+])c1ccccc1 44196242 573891938 /nfs/dbraw/zinc/89/19/38/573891938.db2.gz DDTYVGPXRLPBSG-VHSXEESVSA-N 0 0 193.246 1.797 10 0 ADAERN CC1CCC2(CC1)NC(=O)NC2=S 238180607 573891942 /nfs/dbraw/zinc/89/19/42/573891942.db2.gz FSCNOIFMESVRJQ-UHFFFAOYSA-N 0 0 198.291 1.576 10 0 ADAERN CCCCCO[C@H](C)[C@H](C)O 44235671 573891944 /nfs/dbraw/zinc/89/19/44/573891944.db2.gz CJSLGFAWNVOWIO-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN CC[C@H]1CCC(C(C)=O)=C(O)C1 197107648 573891945 /nfs/dbraw/zinc/89/19/45/573891945.db2.gz DNZBUOKXNWFRGN-DTWKUNHWSA-N 0 0 168.236 1.971 10 0 ADAERN COc1cc(F)cc(C2(O)CC2)c1 258173672 573891971 /nfs/dbraw/zinc/89/19/71/573891971.db2.gz VZNRAAKJBZEPFL-UHFFFAOYSA-N 0 0 182.194 1.816 10 0 ADAERN CCC(=O)C1=C(O)CCC[C@H]1C 197108225 573891977 /nfs/dbraw/zinc/89/19/77/573891977.db2.gz LZEQGVKQSVYRFE-XCBNKYQSSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1cccc(OC[C@H](C)C(N)=O)c1 41206229 573891994 /nfs/dbraw/zinc/89/19/94/573891994.db2.gz ZSWNLLJYORNFSS-VIFPVBQESA-N 0 0 193.246 1.495 10 0 ADAERN Cc1ccc(-c2cncc(N)n2)o1 238561259 573892009 /nfs/dbraw/zinc/89/20/09/573892009.db2.gz KRHPELRUDLUKBW-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1cc([C@H](C)O)ccc1OCCO 41207338 573892013 /nfs/dbraw/zinc/89/20/13/573892013.db2.gz ZLLLLEBDGOTXCN-VIFPVBQESA-N 0 0 196.246 1.419 10 0 ADAERN NC(=O)N(c1ccccc1)C1CC1 238561517 573892015 /nfs/dbraw/zinc/89/20/15/573892015.db2.gz HZSXCMNVIABPFO-UHFFFAOYSA-N 0 0 176.219 1.734 10 0 ADAERN OC(=S)c1cc(F)ccc1O 102094373 573892020 /nfs/dbraw/zinc/89/20/20/573892020.db2.gz JNGQHERHCRSNDW-UHFFFAOYSA-N 0 0 172.180 1.765 10 0 ADAERN Nc1cc(-c2ccccc2O)c[nH]1 258173487 573892024 /nfs/dbraw/zinc/89/20/24/573892024.db2.gz RTZFKGVTFFNZQI-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN COC(=O)[C@@H]1[C@H](C)[C@H]1c1ccn(C)c1 259577653 573892038 /nfs/dbraw/zinc/89/20/38/573892038.db2.gz JWDCLTUVLLRCLP-FKTZTGRPSA-N 0 0 193.246 1.548 10 0 ADAERN C[C@@H]1C(=O)N[C@H]2CCCC[C@H]21 144932933 573892051 /nfs/dbraw/zinc/89/20/51/573892051.db2.gz MJLAOVZVESNDMT-FXQIFTODSA-N 0 0 153.225 1.311 10 0 ADAERN Cc1ccc(-c2cncc(N)c2)nn1 238561210 573892054 /nfs/dbraw/zinc/89/20/54/573892054.db2.gz JJJNVVLSSMILEA-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN O[C@@H]1CC[C@H]2SCC[C@@H]2C1 76593228 573892055 /nfs/dbraw/zinc/89/20/55/573892055.db2.gz FRKJXNXFQZYHBJ-BWZBUEFSSA-N 0 0 158.266 1.653 10 0 ADAERN CCCCO[C@@H](C)[C@H](O)CC 44235105 573892100 /nfs/dbraw/zinc/89/21/00/573892100.db2.gz UKSRBRAHOYELAQ-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN CC(=O)C(=O)N(C)c1cccs1 258988220 573892102 /nfs/dbraw/zinc/89/21/02/573892102.db2.gz QCBHYPJCOLGJCG-UHFFFAOYSA-N 0 0 183.232 1.300 10 0 ADAERN CC1=C[C@@]2(C)CC(=O)[C@H]2C1 238180641 573892130 /nfs/dbraw/zinc/89/21/30/573892130.db2.gz VCBGVMJGBLWTMD-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN [NH3+][C@@H]1CCC[C@@H](C2(C(=O)[O-])CC2)C1 238562001 573892110 /nfs/dbraw/zinc/89/21/10/573892110.db2.gz DZWZPSJBYDQSRL-HTQZYQBOSA-N 0 0 183.251 1.369 10 0 ADAERN N=C1CC(=C2CCCCC2)C(=O)N1 238561348 573892115 /nfs/dbraw/zinc/89/21/15/573892115.db2.gz ASUZNURODFHYJU-UHFFFAOYSA-N 0 0 178.235 1.744 10 0 ADAERN CCC(=O)C1=C(O)[C@H](C)CCC1 197109390 573892167 /nfs/dbraw/zinc/89/21/67/573892167.db2.gz YVDGQKIECPOBCE-HTQZYQBOSA-N 0 0 168.236 1.971 10 0 ADAERN CC1=N[C@H]1C(=O)c1ccccc1 238174986 573894911 /nfs/dbraw/zinc/89/49/11/573894911.db2.gz BBQSMIJQZMEUAO-SECBINFHSA-N 0 0 159.188 1.712 10 0 ADAERN C[C@H]1NCC(=O)N1C1CCCCC1 84447555 573892377 /nfs/dbraw/zinc/89/23/77/573892377.db2.gz URMJIYYGWNUDLD-QMMMGPOBSA-N 0 0 182.267 1.097 10 0 ADAERN C[C@@H]1NCC(=O)N1C1CCCCC1 84447553 573892425 /nfs/dbraw/zinc/89/24/25/573892425.db2.gz URMJIYYGWNUDLD-MRVPVSSYSA-N 0 0 182.267 1.097 10 0 ADAERN COc1cccc2c1CSC[C@H]2O 125385730 573892426 /nfs/dbraw/zinc/89/24/26/573892426.db2.gz RUFGMNJVDCRAAV-SECBINFHSA-N 0 0 196.271 1.975 10 0 ADAERN O=Cc1ccc2ccc3nnnn3c2c1 258174203 573892429 /nfs/dbraw/zinc/89/24/29/573892429.db2.gz UOLILFSBXFBIGZ-UHFFFAOYSA-N 0 0 198.185 1.090 10 0 ADAERN CC1(C)CC(=O)NC=CS1 238181243 573892440 /nfs/dbraw/zinc/89/24/40/573892440.db2.gz LVHWEGGEYMXEPB-UHFFFAOYSA-N 0 0 157.238 1.489 10 0 ADAERN CCC[C@@H](O)[C@H](CC)n1cncn1 44183226 573892445 /nfs/dbraw/zinc/89/24/45/573892445.db2.gz HYLJRSJMBKXHKH-DTWKUNHWSA-N 0 0 183.255 1.390 10 0 ADAERN Cc1ncc(C=O)c(C2CC2)n1 76594212 573892449 /nfs/dbraw/zinc/89/24/49/573892449.db2.gz WXPCZDHZUDZVCD-UHFFFAOYSA-N 0 0 162.192 1.475 10 0 ADAERN CC[C@H](O)[C@@H](C)OCCCOC 44190192 573893157 /nfs/dbraw/zinc/89/31/57/573893157.db2.gz XTJXKGJGPQTPJW-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN CCCCCO[C@@H]1COCC[C@H]1O 44235634 573892470 /nfs/dbraw/zinc/89/24/70/573892470.db2.gz JTKGWBMPBAHMDR-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN C=C=CCCN1C(=O)CC(C)(C)[C@@H]1O 238180930 573892493 /nfs/dbraw/zinc/89/24/93/573892493.db2.gz RCLJXZJAXCUJRQ-JTQLQIEISA-N 0 0 195.262 1.295 10 0 ADAERN CC(C)(O)Cc1ccccc1CO 238182330 573892507 /nfs/dbraw/zinc/89/25/07/573892507.db2.gz HPPRSFAOAJOYEM-UHFFFAOYSA-N 0 0 180.247 1.492 10 0 ADAERN Cn1c(N)c2cc[nH]c2nc1=S 238561307 573892524 /nfs/dbraw/zinc/89/25/24/573892524.db2.gz SGHXPZRPGHHKEQ-UHFFFAOYSA-N 0 0 180.236 1.043 10 0 ADAERN COc1ccc2c(c1)[C@H](O)CSC2 125384313 573892528 /nfs/dbraw/zinc/89/25/28/573892528.db2.gz APHRTCOLQZNMDT-SNVBAGLBSA-N 0 0 196.271 1.975 10 0 ADAERN CCCCN1CCC[NH2+]C[C@H](C)C1=O 259577522 573892530 /nfs/dbraw/zinc/89/25/30/573892530.db2.gz YZJZIDKXHOGHIF-JTQLQIEISA-N 0 0 198.310 1.245 10 0 ADAERN COc1cccc(O[C@@H](C)[C@@H](C)O)c1 44196398 573892538 /nfs/dbraw/zinc/89/25/38/573892538.db2.gz GHHGBVDICQBABN-BDAKNGLRSA-N 0 0 196.246 1.843 10 0 ADAERN Cc1ccc(CNC2COC2)o1 76595872 573892557 /nfs/dbraw/zinc/89/25/57/573892557.db2.gz AZORYSFLVMQZDI-UHFFFAOYSA-N 0 0 167.208 1.076 10 0 ADAERN CC(C)(O)c1ccc2c(c1)COCO2 258173807 573892564 /nfs/dbraw/zinc/89/25/64/573892564.db2.gz WBZZHMBXKJNVDR-UHFFFAOYSA-N 0 0 194.230 1.781 10 0 ADAERN OC1CC(Nc2ccc(Cl)nn2)C1 84443990 573892580 /nfs/dbraw/zinc/89/25/80/573892580.db2.gz CBFNZVNBPBIXRP-UHFFFAOYSA-N 0 0 199.641 1.065 10 0 ADAERN C[C@H]1CCC(=O)[C@H](CCO)C1 76591679 573892590 /nfs/dbraw/zinc/89/25/90/573892590.db2.gz JMZLEOWMCBVBNM-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN Cn1ccnc1[C@](C)(O)C1(C)CC1 87365463 573892591 /nfs/dbraw/zinc/89/25/91/573892591.db2.gz IHOCSWCOLKFLEF-JTQLQIEISA-N 0 0 180.251 1.428 10 0 ADAERN Cc1nc([C@@](C)([NH3+])C2(C)CC2)no1 87365290 573892601 /nfs/dbraw/zinc/89/26/01/573892601.db2.gz RHOWVBADSDDRLC-SECBINFHSA-N 0 0 181.239 1.352 10 0 ADAERN CCc1nccn1[C@H](C)[C@H](O)CC 44189656 573893164 /nfs/dbraw/zinc/89/31/64/573893164.db2.gz TYZPXVHJRUKBGH-RKDXNWHRSA-N 0 0 182.267 1.777 10 0 ADAERN COc1ccc(C[C@@H](CO)OC)cc1 257894004 573892657 /nfs/dbraw/zinc/89/26/57/573892657.db2.gz XTHKLEILUBDRLD-NSHDSACASA-N 0 0 196.246 1.245 10 0 ADAERN CC[C@@H](O)[C@H](C)OC[C@@H]1CCCO1 44215992 573892675 /nfs/dbraw/zinc/89/26/75/573892675.db2.gz ZOVWCCBJCCWOJF-LPEHRKFASA-N 0 0 188.267 1.341 10 0 ADAERN CCC[C@H](O)[C@@H](CC)n1cccn1 44182678 573892683 /nfs/dbraw/zinc/89/26/83/573892683.db2.gz ZKCINFZZHUHPGX-ZJUUUORDSA-N 0 0 182.267 1.995 10 0 ADAERN Cc1nc([C@]2(C)CCCO2)oc1C=O 258174139 573892719 /nfs/dbraw/zinc/89/27/19/573892719.db2.gz UNQRRTGBRUXFKA-JTQLQIEISA-N 0 0 195.218 1.821 10 0 ADAERN N=C1NC(=O)C(c2cccs2)S1 238562593 573892734 /nfs/dbraw/zinc/89/27/34/573892734.db2.gz ONSGQPJWLDBPND-RXMQYKEDSA-N 0 0 198.272 1.587 10 0 ADAERN CC1(C)CC(=O)C[C@](O)(Cl)C1 238180735 573892742 /nfs/dbraw/zinc/89/27/42/573892742.db2.gz DQKFWBBGHCYCIH-MRVPVSSYSA-N 0 0 176.643 1.693 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)CSC2 125384534 573892743 /nfs/dbraw/zinc/89/27/43/573892743.db2.gz APHRTCOLQZNMDT-JTQLQIEISA-N 0 0 196.271 1.975 10 0 ADAERN C[C@@H]1N=C(Cl)C=C(Cl)N1 145023034 573892755 /nfs/dbraw/zinc/89/27/55/573892755.db2.gz BZOJMMULELWAOR-GSVOUGTGSA-N 0 0 165.023 1.653 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@H]1c1ccn(C)c1 259577669 573892759 /nfs/dbraw/zinc/89/27/59/573892759.db2.gz JWDCLTUVLLRCLP-UJNFCWOMSA-N 0 0 193.246 1.548 10 0 ADAERN COc1cc(C)cc(CNO)c1OC 258173828 573892760 /nfs/dbraw/zinc/89/27/60/573892760.db2.gz WCGQUYMIOXIBDZ-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN CSc1nccn1Cc1ccc[nH]1 144968039 573892764 /nfs/dbraw/zinc/89/27/64/573892764.db2.gz RMSUTKLBEQMOMT-UHFFFAOYSA-N 0 0 193.275 1.981 10 0 ADAERN CCCNc1ncc(F)c(NC)n1 84448423 573892778 /nfs/dbraw/zinc/89/27/78/573892778.db2.gz MWIJXOIARLXBOB-UHFFFAOYSA-N 0 0 184.218 1.479 10 0 ADAERN COC(=O)[C@H]1[C@@H](c2ccn(C)c2)[C@H]1C 259577663 573892786 /nfs/dbraw/zinc/89/27/86/573892786.db2.gz JWDCLTUVLLRCLP-SZEHBUNVSA-N 0 0 193.246 1.548 10 0 ADAERN CC[C@@H](O)[C@@H](C)OCC1CC1 44231941 573892802 /nfs/dbraw/zinc/89/28/02/573892802.db2.gz JUDCAGZLSICWAM-VXNVDRBHSA-N 0 0 158.241 1.572 10 0 ADAERN CCn1ccnc1[C@](C)(O)C1(C)CC1 87365465 573892805 /nfs/dbraw/zinc/89/28/05/573892805.db2.gz YTUMMMLKPQNPHL-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN COc1cccc2c1CSC[C@@H]2O 125385538 573892808 /nfs/dbraw/zinc/89/28/08/573892808.db2.gz RUFGMNJVDCRAAV-VIFPVBQESA-N 0 0 196.271 1.975 10 0 ADAERN CC(C)OC[C@](C)(O)C1(C)CC1 87365498 573892812 /nfs/dbraw/zinc/89/28/12/573892812.db2.gz JVBJNQAHEWNUNF-JTQLQIEISA-N 0 0 172.268 1.963 10 0 ADAERN C=C=CCCN1C(=O)CC(C)(C)[C@H]1O 238180901 573893096 /nfs/dbraw/zinc/89/30/96/573893096.db2.gz RCLJXZJAXCUJRQ-SNVBAGLBSA-N 0 0 195.262 1.295 10 0 ADAERN O=c1ncc(OC2CCCCC2)c[nH]1 258443213 573892824 /nfs/dbraw/zinc/89/28/24/573892824.db2.gz JUJPAXPEBMKVFG-UHFFFAOYSA-N 0 0 194.234 1.894 10 0 ADAERN CC(C)(O)C[C@@H]1[C@H](CO)C1(C)C 238181089 573892843 /nfs/dbraw/zinc/89/28/43/573892843.db2.gz PTNKIDPPRZBTQX-SFYZADRCSA-N 0 0 172.268 1.412 10 0 ADAERN CNc1ncnc2ccc(Cl)nc12 144941396 573892850 /nfs/dbraw/zinc/89/28/50/573892850.db2.gz BNRSCFQFEYLYRD-UHFFFAOYSA-N 0 0 194.625 1.720 10 0 ADAERN COCN(C)c1ccc2ncoc2c1 258987101 573892851 /nfs/dbraw/zinc/89/28/51/573892851.db2.gz CZPRWOXDFFOSOX-UHFFFAOYSA-N 0 0 192.218 1.868 10 0 ADAERN CC[C@@H](C)[C@H]1CSCC1=O 76593190 573892868 /nfs/dbraw/zinc/89/28/68/573892868.db2.gz AGVJWBWYVCGXFN-RNFRBKRXSA-N 0 0 158.266 1.965 10 0 ADAERN Nc1cccc(C2(O)CCOCC2)c1 144999771 573892870 /nfs/dbraw/zinc/89/28/70/573892870.db2.gz HRKQPEGUNALUQA-UHFFFAOYSA-N 0 0 193.246 1.267 10 0 ADAERN Cc1cccc(OC(=O)CCO)c1 238537639 573892871 /nfs/dbraw/zinc/89/28/71/573892871.db2.gz TVDUCEHIYOOSCZ-UHFFFAOYSA-N 0 0 180.203 1.283 10 0 ADAERN ClC1=CC=C[C@@H]2NC=CN12 102175013 573892888 /nfs/dbraw/zinc/89/28/88/573892888.db2.gz DVLKRTQMMQOSPN-SSDOTTSWSA-N 0 0 154.600 1.339 10 0 ADAERN Cc1ccc([C@@]2(C)CC(=O)CN2)cc1 258987876 573892895 /nfs/dbraw/zinc/89/28/95/573892895.db2.gz VWOXDHNGWLNJCA-GFCCVEGCSA-N 0 0 189.258 1.773 10 0 ADAERN CNC(=O)Nc1ccc(C)c(N)c1 84445351 573893101 /nfs/dbraw/zinc/89/31/01/573893101.db2.gz GPZQUGVFUREXHU-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN OCc1ccc2c(c1F)OCCCO2 258173905 573892911 /nfs/dbraw/zinc/89/29/11/573892911.db2.gz WDMNUZNXPAZWRO-UHFFFAOYSA-N 0 0 198.193 1.479 10 0 ADAERN CCC[C@@H](O)[C@@H](CC)n1ccnc1 44180559 573892916 /nfs/dbraw/zinc/89/29/16/573892916.db2.gz RARLVXIDHIYWFY-NXEZZACHSA-N 0 0 182.267 1.995 10 0 ADAERN CCCCN1CCC[NH2+]C[C@@H](C)C1=O 259577527 573892926 /nfs/dbraw/zinc/89/29/26/573892926.db2.gz YZJZIDKXHOGHIF-SNVBAGLBSA-N 0 0 198.310 1.245 10 0 ADAERN CC1(C)CC(=O)C[C@]1(C)CO 238180806 573892941 /nfs/dbraw/zinc/89/29/41/573892941.db2.gz IZZVQJSWTORBPA-SECBINFHSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H](O)c1ccccc1OCCCO 41207335 573892942 /nfs/dbraw/zinc/89/29/42/573892942.db2.gz UFJQRQXEQHYPMD-VIFPVBQESA-N 0 0 196.246 1.501 10 0 ADAERN O=Cc1noc([C@@H]2CCCCS2)n1 257894513 573892956 /nfs/dbraw/zinc/89/29/56/573892956.db2.gz CVTRKQFPNROYOQ-LURJTMIESA-N 0 0 198.247 1.840 10 0 ADAERN CCCCC(=O)N1CCC(=O)C1(C)C 258986256 573893104 /nfs/dbraw/zinc/89/31/04/573893104.db2.gz BBTDARMLGKVBQL-UHFFFAOYSA-N 0 0 197.278 1.757 10 0 ADAERN CCn1c(C)nc(C(=O)OC)c1C 259577686 573892970 /nfs/dbraw/zinc/89/29/70/573892970.db2.gz JWDVIXTUZAQUFZ-UHFFFAOYSA-N 0 0 182.223 1.306 10 0 ADAERN C[C@H]1Cc2c(C=O)cccc2O1 76594198 573892971 /nfs/dbraw/zinc/89/29/71/573892971.db2.gz AOXMIMCJNIZRDH-ZETCQYMHSA-N 0 0 162.188 1.823 10 0 ADAERN COCc1cnn(C(C)C)c1N 257894510 573892983 /nfs/dbraw/zinc/89/29/83/573892983.db2.gz JQLZSGIGWNAHLB-UHFFFAOYSA-N 0 0 169.228 1.193 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H]1CCC(=O)C1 238180578 573892987 /nfs/dbraw/zinc/89/29/87/573892987.db2.gz XLMSPPMWLSLJIY-VXNVDRBHSA-N 0 0 170.252 1.763 10 0 ADAERN CCC[C@@H](O)[C@H](CC)n1cccn1 44182687 573893004 /nfs/dbraw/zinc/89/30/04/573893004.db2.gz ZKCINFZZHUHPGX-VHSXEESVSA-N 0 0 182.267 1.995 10 0 ADAERN CNc1cncc(N2CCCC2)c1 84444811 573893016 /nfs/dbraw/zinc/89/30/16/573893016.db2.gz OXSCRCHFONGISX-UHFFFAOYSA-N 0 0 177.251 1.724 10 0 ADAERN CC(=O)[C@@](C)(O)C[Si](C)(C)C 238181338 573893019 /nfs/dbraw/zinc/89/30/19/573893019.db2.gz KTJURPTYEUOTLG-QMMMGPOBSA-N 0 0 174.316 1.665 10 0 ADAERN [NH3+][C@H](SC1CCCCC1)C(=O)[O-] 259223245 573893113 /nfs/dbraw/zinc/89/31/13/573893113.db2.gz MMWPTKRHGSHUAP-SSDOTTSWSA-N 0 0 189.280 1.422 10 0 ADAERN CCC[C@H](O)[C@@H](CC)n1cncn1 44183217 573893049 /nfs/dbraw/zinc/89/30/49/573893049.db2.gz HYLJRSJMBKXHKH-BDAKNGLRSA-N 0 0 183.255 1.390 10 0 ADAERN COc1ccc(CCCO)c(O)c1C 258173907 573893065 /nfs/dbraw/zinc/89/30/65/573893065.db2.gz WDNFIZZDXUYRHF-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN CCc1nccn1[C@@H](C)[C@@H](O)CC 44189659 573893069 /nfs/dbraw/zinc/89/30/69/573893069.db2.gz TYZPXVHJRUKBGH-IUCAKERBSA-N 0 0 182.267 1.777 10 0 ADAERN CNc1nccc(NC(C)(C)C)n1 84446431 573893081 /nfs/dbraw/zinc/89/30/81/573893081.db2.gz TZUDXSCDXKPFLV-UHFFFAOYSA-N 0 0 180.255 1.729 10 0 ADAERN Cc1n[nH]c2cccc(C=O)c12 76593653 573893118 /nfs/dbraw/zinc/89/31/18/573893118.db2.gz AMFSMHDHKSJWPX-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN Cc1ccnc(NC2CC(O)C2)c1 84443802 573894913 /nfs/dbraw/zinc/89/49/13/573894913.db2.gz GSTWQJLQBGTUER-UHFFFAOYSA-N 0 0 178.235 1.325 10 0 ADAERN CCO[C@H]1C[C@@H]1c1nnc(C)[nH]1 690070435 573893968 /nfs/dbraw/zinc/89/39/68/573893968.db2.gz AXXKSIFIKPJKPA-BQBZGAKWSA-N 0 0 167.212 1.006 10 0 ADAERN Cn1ccc(-c2ccccc2O)c1N 258173562 573893991 /nfs/dbraw/zinc/89/39/91/573893991.db2.gz RWZDHIIAFONHME-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN Cc1nc([C@](C)([NH3+])C2(C)CC2)no1 87365288 573894198 /nfs/dbraw/zinc/89/41/98/573894198.db2.gz RHOWVBADSDDRLC-VIFPVBQESA-N 0 0 181.239 1.352 10 0 ADAERN NC(=O)Oc1cccc2cccnc12 102299284 573894203 /nfs/dbraw/zinc/89/42/03/573894203.db2.gz FLCPORVHXQFBHT-UHFFFAOYSA-N 0 0 188.186 1.692 10 0 ADAERN Nc1cc(F)ccc1CCCO 258445706 573894204 /nfs/dbraw/zinc/89/42/04/573894204.db2.gz FMBKIZBGMHMKRS-UHFFFAOYSA-N 0 0 169.199 1.333 10 0 ADAERN COc1cc(C(C)=O)cc2c1OCC2 258173676 573894217 /nfs/dbraw/zinc/89/42/17/573894217.db2.gz VZNUOBIYEDFIAR-UHFFFAOYSA-N 0 0 192.214 1.833 10 0 ADAERN c1cc(N[C@@H]2CCSC2)no1 76597990 573894914 /nfs/dbraw/zinc/89/49/14/573894914.db2.gz CJQCXJBAGLBIQX-ZCFIWIBFSA-N 0 0 170.237 1.592 10 0 ADAERN Nc1ccccc1NCC1CC(O)C1 84446058 573893912 /nfs/dbraw/zinc/89/39/12/573893912.db2.gz FNOPZYXKFTYIRS-UHFFFAOYSA-N 0 0 192.262 1.452 10 0 ADAERN COc1ccc(N(C)C#N)cc1F 259221022 573893913 /nfs/dbraw/zinc/89/39/13/573893913.db2.gz AVMPJCYHIITXPW-UHFFFAOYSA-N 0 0 180.182 1.752 10 0 ADAERN NOCc1ncccc1Cl 144983726 573893916 /nfs/dbraw/zinc/89/39/16/573893916.db2.gz CBCWKFYYVNLYEI-UHFFFAOYSA-N 0 0 158.588 1.125 10 0 ADAERN CCC[C@@H](C)/C=C/CO 144990113 573893922 /nfs/dbraw/zinc/89/39/22/573893922.db2.gz NFQOETVWTFJMMB-YZCDNWJKSA-N 0 0 128.215 1.971 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccccc1 44196246 573893923 /nfs/dbraw/zinc/89/39/23/573893923.db2.gz DDTYVGPXRLPBSG-NXEZZACHSA-N 0 0 193.246 1.797 10 0 ADAERN CCC(=O)C1=C(O)[C@@H](C)CCC1 197109359 573893927 /nfs/dbraw/zinc/89/39/27/573893927.db2.gz YVDGQKIECPOBCE-JGVFFNPUSA-N 0 0 168.236 1.971 10 0 ADAERN O=C(c1cccc(F)c1)[C@@H]1CO1 144938328 573893935 /nfs/dbraw/zinc/89/39/35/573893935.db2.gz YMJOALBKJDBPSZ-QMMMGPOBSA-N 0 0 166.151 1.407 10 0 ADAERN O[C@H]1CCC[C@H]1OC[C@@H]1CCCO1 44216279 573893950 /nfs/dbraw/zinc/89/39/50/573893950.db2.gz LVESPQNHHNMQQG-LPEHRKFASA-N 0 0 186.251 1.095 10 0 ADAERN CCc1ccc([C@H](O)COC)cc1 44192630 573893996 /nfs/dbraw/zinc/89/39/96/573893996.db2.gz QXGZWZVHIIIGSM-LLVKDONJSA-N 0 0 180.247 1.929 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H]1CCC1=O 238180596 573894046 /nfs/dbraw/zinc/89/40/46/573894046.db2.gz AAZZBLBTQMSTBK-HTRCEHHLSA-N 0 0 156.225 1.373 10 0 ADAERN CC(=O)[C@@](C)(O)C1CCCCC1 238181188 573894051 /nfs/dbraw/zinc/89/40/51/573894051.db2.gz HNPKHDXYGBZFNU-SNVBAGLBSA-N 0 0 170.252 1.907 10 0 ADAERN CC[C@H](C)Nc1ccnc(NC)n1 84446429 573894071 /nfs/dbraw/zinc/89/40/71/573894071.db2.gz QKOSUMDRAOYCRO-ZETCQYMHSA-N 0 0 180.255 1.729 10 0 ADAERN Cc1cccc(C(=O)CN)c1Cl 84448203 573894084 /nfs/dbraw/zinc/89/40/84/573894084.db2.gz WPYMTPSKRFDZAV-UHFFFAOYSA-N 0 0 183.638 1.790 10 0 ADAERN Nc1c(C=O)ncc(C(F)F)c1F 238563325 573894869 /nfs/dbraw/zinc/89/48/69/573894869.db2.gz YGJUDEKXMYPNGZ-UHFFFAOYSA-N 0 0 190.124 1.553 10 0 ADAERN CC(C)n1nc(CO)c2c1CC[C@H]2F 257902165 573894089 /nfs/dbraw/zinc/89/40/89/573894089.db2.gz VYSRLDWXZSWKAH-SSDOTTSWSA-N 0 0 198.241 1.913 10 0 ADAERN OC1CC(Nc2cccc(F)n2)C1 84444961 573894091 /nfs/dbraw/zinc/89/40/91/573894091.db2.gz CTXMKWITNGXJSD-UHFFFAOYSA-N 0 0 182.198 1.156 10 0 ADAERN COC(=O)[C@@]12CCCC[C@@H]1CC(=O)C2 257894925 573894110 /nfs/dbraw/zinc/89/41/10/573894110.db2.gz XUXICUOPSJXEJB-LDYMZIIASA-N 0 0 196.246 1.699 10 0 ADAERN OC1CC(Nc2cncc(Cl)n2)C1 84444923 573894114 /nfs/dbraw/zinc/89/41/14/573894114.db2.gz BFVBQCLNWWUOLT-UHFFFAOYSA-N 0 0 199.641 1.065 10 0 ADAERN [NH3+]Cc1cnc(C(F)F)c([O-])c1F 238563544 573894115 /nfs/dbraw/zinc/89/41/15/573894115.db2.gz SSZHJNQBFREPHT-UHFFFAOYSA-N 0 0 192.140 1.323 10 0 ADAERN CCn1nccc1[C@](C)(O)C1(C)CC1 87365346 573894129 /nfs/dbraw/zinc/89/41/29/573894129.db2.gz ILADLUNDZNMZCI-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN Cc1ccc(NCC2CC(O)C2)nc1 84448634 573894135 /nfs/dbraw/zinc/89/41/35/573894135.db2.gz AJQMEKXCVKECFQ-UHFFFAOYSA-N 0 0 192.262 1.573 10 0 ADAERN ONCc1cccc2[nH]nc(Cl)c12 258173596 573894136 /nfs/dbraw/zinc/89/41/36/573894136.db2.gz VYOJALNFWMDFCM-UHFFFAOYSA-N 0 0 197.625 1.695 10 0 ADAERN C[C@@H]1Nc2cccc(F)c2NC1=O 76603727 573894144 /nfs/dbraw/zinc/89/41/44/573894144.db2.gz BWGVSGGPJTYBBZ-YFKPBYRVSA-N 0 0 180.182 1.578 10 0 ADAERN Cc1nc(OC(F)F)ccc1C=O 238563694 573894165 /nfs/dbraw/zinc/89/41/65/573894165.db2.gz UMWCJJSBPIHICS-UHFFFAOYSA-N 0 0 187.145 1.804 10 0 ADAERN C[C@]1(c2ccccc2O)CNC(=O)O1 257894978 573894187 /nfs/dbraw/zinc/89/41/87/573894187.db2.gz XWBJDRKSNWZQLR-SNVBAGLBSA-N 0 0 193.202 1.347 10 0 ADAERN NOCc1ccccc1-c1ncc[nH]1 258173651 573894232 /nfs/dbraw/zinc/89/42/32/573894232.db2.gz VZEOSBGLNCQUSC-UHFFFAOYSA-N 0 0 189.218 1.467 10 0 ADAERN OC1CC(CNc2nccs2)C1 84448788 573894245 /nfs/dbraw/zinc/89/42/45/573894245.db2.gz ONOBUAYOYCOFFF-UHFFFAOYSA-N 0 0 184.264 1.326 10 0 ADAERN C[C@@H](CO)c1ccc2cnncc2c1 258173637 573894269 /nfs/dbraw/zinc/89/42/69/573894269.db2.gz VYZQXAQRYZGHCV-QMMMGPOBSA-N 0 0 188.230 1.726 10 0 ADAERN OC1CC(Nc2nccs2)C1 84443788 573894270 /nfs/dbraw/zinc/89/42/70/573894270.db2.gz WKIBXPFINJTMJS-UHFFFAOYSA-N 0 0 170.237 1.078 10 0 ADAERN O=C([O-])c1cnc([C@H]2CCC[NH2+]2)s1 258174627 573894277 /nfs/dbraw/zinc/89/42/77/573894277.db2.gz RRLHARQDQHFUFO-RXMQYKEDSA-N 0 0 198.247 1.266 10 0 ADAERN CC[C@H](O)[C@@H](C)n1cnc(C2CC2)n1 308460897 573894880 /nfs/dbraw/zinc/89/48/80/573894880.db2.gz FNDSVEJLYBFJNX-APPZFPTMSA-N 0 0 195.266 1.487 10 0 ADAERN CC1([C@@](C)(O)c2c[nH+]ccc2N)CC1 87365476 573894307 /nfs/dbraw/zinc/89/43/07/573894307.db2.gz IQVIYDZDIDLXBD-NSHDSACASA-N 0 0 192.262 1.671 10 0 ADAERN C[NH2+][C@H](Cc1ccco1)C(OC)OC 131603491 573894315 /nfs/dbraw/zinc/89/43/15/573894315.db2.gz JBSQAORIGHOLOK-SECBINFHSA-N 0 0 199.250 1.029 10 0 ADAERN Cn1cc(N)c(-c2cccnc2)n1 84444026 573894348 /nfs/dbraw/zinc/89/43/48/573894348.db2.gz GDQDFDHHHCOECN-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Nc1cc2ccc[nH]c-2cc1=O 80351545 573894374 /nfs/dbraw/zinc/89/43/74/573894374.db2.gz XCJWDIRKRSIPBX-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 ADAERN CNC(=O)Nc1ccc(F)c(N)c1 84447703 573894379 /nfs/dbraw/zinc/89/43/79/573894379.db2.gz AFKNCPKRXNCHND-UHFFFAOYSA-N 0 0 183.186 1.159 10 0 ADAERN C[C@@]1(c2ccc(F)cc2)CNC(=O)N1 257895007 573894392 /nfs/dbraw/zinc/89/43/92/573894392.db2.gz XWUORTDPQMOHQB-JTQLQIEISA-N 0 0 194.209 1.354 10 0 ADAERN O[C@@H]1COC[C@H]1C1CCCC1 687967161 573894418 /nfs/dbraw/zinc/89/44/18/573894418.db2.gz RAWMWKHXJDHKOD-DTWKUNHWSA-N 0 0 156.225 1.184 10 0 ADAERN OCc1nccc(C2CCC2)n1 258989707 573894449 /nfs/dbraw/zinc/89/44/49/573894449.db2.gz CCFHEDNWVIWWHJ-UHFFFAOYSA-N 0 0 164.208 1.236 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@@H](C)N2 76601356 573894456 /nfs/dbraw/zinc/89/44/56/573894456.db2.gz DMIHDTIYYVLXGG-SSDOTTSWSA-N 0 0 176.219 1.748 10 0 ADAERN CNc1ccc(-c2nnns2)cc1 259224593 573894457 /nfs/dbraw/zinc/89/44/57/573894457.db2.gz CDUPCLPGBCUJKQ-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CCC[C@H](CC)NC=O 80387582 573894463 /nfs/dbraw/zinc/89/44/63/573894463.db2.gz BKZZEGHHXOAOGC-ZETCQYMHSA-N 0 0 129.203 1.311 10 0 ADAERN CCCc1cn2c(O)cccc2n1 257902253 573894466 /nfs/dbraw/zinc/89/44/66/573894466.db2.gz HXIXPISBUPGXEL-UHFFFAOYSA-N 0 0 176.219 1.992 10 0 ADAERN CCC(=O)C1=C(O)[C@@H](C)CCC1 197109347 573894470 /nfs/dbraw/zinc/89/44/70/573894470.db2.gz YVDGQKIECPOBCE-YUMQZZPRSA-N 0 0 168.236 1.971 10 0 ADAERN CCc1nc([C@](C)([NH3+])C2(C)CC2)no1 87365292 573894481 /nfs/dbraw/zinc/89/44/81/573894481.db2.gz BZHMXSZHQPVQLH-JTQLQIEISA-N 0 0 195.266 1.606 10 0 ADAERN CC(C)(O)c1ccc2c(c1)NC(=O)C2 258173757 573894486 /nfs/dbraw/zinc/89/44/86/573894486.db2.gz WBINCKMKTQPDAD-UHFFFAOYSA-N 0 0 191.230 1.409 10 0 ADAERN CCc1cc(C)nc([C@H](CC)CO)n1 259222078 573894516 /nfs/dbraw/zinc/89/45/16/573894516.db2.gz YBAXBNXWANAOSL-SECBINFHSA-N 0 0 194.278 1.833 10 0 ADAERN CC/C=C/NC(C)=O 102329604 573894518 /nfs/dbraw/zinc/89/45/18/573894518.db2.gz PJOOLUFQUNQIBE-SNAWJCMRSA-N 0 0 113.160 1.046 10 0 ADAERN CC(C)[C@H]1[N-]C(=S)SC1=[NH2+] 238175039 573894528 /nfs/dbraw/zinc/89/45/28/573894528.db2.gz DPJYTOOSVSEFHD-SCSAIBSYSA-N 0 0 174.294 1.610 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@H](C)N2 76601354 573894546 /nfs/dbraw/zinc/89/45/46/573894546.db2.gz DMIHDTIYYVLXGG-ZETCQYMHSA-N 0 0 176.219 1.748 10 0 ADAERN O=Cc1cccc(-n2ccnn2)c1 76599623 573894551 /nfs/dbraw/zinc/89/45/51/573894551.db2.gz OKTXJGYITFEEOP-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN Nc1cc([C@@H]2CCCSC2)on1 259226714 573894565 /nfs/dbraw/zinc/89/45/65/573894565.db2.gz MCMCJLVHWXTSCV-ZCFIWIBFSA-N 0 0 184.264 1.867 10 0 ADAERN [NH3+]C[C@@H]1CCc2cccc(C(=O)[O-])c21 238563249 573894566 /nfs/dbraw/zinc/89/45/66/573894566.db2.gz YBTJPGRIIHPOAU-QMMMGPOBSA-N 0 0 191.230 1.373 10 0 ADAERN C[C@@H](n1nccc1N)C1(C)CC1 87363385 573894896 /nfs/dbraw/zinc/89/48/96/573894896.db2.gz CWCHEEBNNRZTPD-SSDOTTSWSA-N 0 0 165.240 1.826 10 0 ADAERN CCOC(=O)[C@@H]1CCOC(C)(C)O1 223652587 573894584 /nfs/dbraw/zinc/89/45/84/573894584.db2.gz YUJSRCZJYZCBHX-ZETCQYMHSA-N 0 0 188.223 1.091 10 0 ADAERN Cn1ccc([C@H](N)c2ncco2)c1 76602079 573894897 /nfs/dbraw/zinc/89/48/97/573894897.db2.gz NLFXPCKJJBEEEG-QMMMGPOBSA-N 0 0 177.207 1.061 10 0 ADAERN C[C@H](O)CCOC[C@H]1CCCCO1 44220881 573894601 /nfs/dbraw/zinc/89/46/01/573894601.db2.gz PKMKHPCAFGDWAU-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CC1(C[C@H](N)C(F)(F)F)OCCO1 238174614 573894613 /nfs/dbraw/zinc/89/46/13/573894613.db2.gz ZAVYUAUHTSWLRW-YFKPBYRVSA-N 0 0 199.172 1.029 10 0 ADAERN Cc1cccnc1NCC1CC(O)C1 84448632 573894900 /nfs/dbraw/zinc/89/49/00/573894900.db2.gz IWXLZWDSJWSQAT-UHFFFAOYSA-N 0 0 192.262 1.573 10 0 ADAERN O[C@@H]1COC[C@@H]1C1CCCC1 687967164 573894901 /nfs/dbraw/zinc/89/49/01/573894901.db2.gz RAWMWKHXJDHKOD-RKDXNWHRSA-N 0 0 156.225 1.184 10 0 ADAERN CC1=N[C@H](C(C)(C)C)N=C1C=O 238174276 573894645 /nfs/dbraw/zinc/89/46/45/573894645.db2.gz PJXWINIHXPLJEH-QMMMGPOBSA-N 0 0 166.224 1.473 10 0 ADAERN CC(C)OCCO[C@@H](C)[C@@H](C)O 44223368 573894671 /nfs/dbraw/zinc/89/46/71/573894671.db2.gz IGJSJWNSDKCBOJ-BDAKNGLRSA-N 0 0 176.256 1.197 10 0 ADAERN C[NH2+][C@@H](Cc1ccco1)C(OC)OC 131603284 573894676 /nfs/dbraw/zinc/89/46/76/573894676.db2.gz JBSQAORIGHOLOK-VIFPVBQESA-N 0 0 199.250 1.029 10 0 ADAERN c1cc2c(s1)NCc1nncn1-2 76602614 573894701 /nfs/dbraw/zinc/89/47/01/573894701.db2.gz PBSJEVYOAYZOMJ-UHFFFAOYSA-N 0 0 178.220 1.254 10 0 ADAERN OCc1[nH]c2ccccc2c1CO 197114377 573894703 /nfs/dbraw/zinc/89/47/03/573894703.db2.gz QHCNHICVTYETRH-UHFFFAOYSA-N 0 0 177.203 1.153 10 0 ADAERN CC(C)OCCO[C@H](C)[C@H](C)O 44223381 573894720 /nfs/dbraw/zinc/89/47/20/573894720.db2.gz IGJSJWNSDKCBOJ-DTWKUNHWSA-N 0 0 176.256 1.197 10 0 ADAERN C[C@@H](O)Cn1ccc2ncccc21 258173495 573894724 /nfs/dbraw/zinc/89/47/24/573894724.db2.gz RUPCZVOVRCPRPE-MRVPVSSYSA-N 0 0 176.219 1.417 10 0 ADAERN CC1(C)Nc2ccccc2O[C@H]1O 238174799 573894737 /nfs/dbraw/zinc/89/47/37/573894737.db2.gz JVRWVTLDFDPJHK-SECBINFHSA-N 0 0 179.219 1.588 10 0 ADAERN C[C@@H](O)c1cnc2ccccc2n1 102293511 573894834 /nfs/dbraw/zinc/89/48/34/573894834.db2.gz ITKXKFKCUFGLDI-SSDOTTSWSA-N 0 0 174.203 1.683 10 0 ADAERN CCCCCCN1CN[C@H](CC)C1=O 127529253 573894770 /nfs/dbraw/zinc/89/47/70/573894770.db2.gz TZMIEXGBRRYAJV-SNVBAGLBSA-N 0 0 198.310 1.735 10 0 ADAERN NC(=O)n1nccc1-c1ccccc1 238562876 573894797 /nfs/dbraw/zinc/89/47/97/573894797.db2.gz CJWFTKRHYMCZFY-UHFFFAOYSA-N 0 0 187.202 1.477 10 0 ADAERN CNc1nccc(NCC(C)C)n1 84446422 573894806 /nfs/dbraw/zinc/89/48/06/573894806.db2.gz BVGXXYJONKFIAK-UHFFFAOYSA-N 0 0 180.255 1.586 10 0 ADAERN OC1CC(Nc2nccnc2Cl)C1 84444929 573894819 /nfs/dbraw/zinc/89/48/19/573894819.db2.gz MHPFQLYGKZEYDN-UHFFFAOYSA-N 0 0 199.641 1.065 10 0 ADAERN C/C(=C/[C@@H](O)C1CCCCC1)CO 215483757 573894826 /nfs/dbraw/zinc/89/48/26/573894826.db2.gz NGRSHAINMXMPIE-GXMKHXEJSA-N 0 0 184.279 1.866 10 0 ADAERN CC[NH2+][C@@H](COC)c1ncccc1F 131611201 573895795 /nfs/dbraw/zinc/89/57/95/573895795.db2.gz MKDXUKGROBVQHY-VIFPVBQESA-N 0 0 198.241 1.518 10 0 ADAERN C[C@H](O)[C@@H](C)OC[C@@H]1CCCCO1 44220969 573897151 /nfs/dbraw/zinc/89/71/51/573897151.db2.gz CERSSYICQRIETF-AEJSXWLSSA-N 0 0 188.267 1.341 10 0 ADAERN c1ncc(N[C@@H]2CCCOC2)cn1 76603284 573897155 /nfs/dbraw/zinc/89/71/55/573897155.db2.gz UZVXIKGQWMPBMH-MRVPVSSYSA-N 0 0 179.223 1.068 10 0 ADAERN CSCc1cc(N)n(C(C)C)n1 257902390 573896800 /nfs/dbraw/zinc/89/68/00/573896800.db2.gz KQXVMLVCGRXLFW-UHFFFAOYSA-N 0 0 185.296 1.909 10 0 ADAERN C[C@@H]1CN(C)c2c1cn(C)c2C=O 76602799 573896820 /nfs/dbraw/zinc/89/68/20/573896820.db2.gz MDHMFPVSBKOLQD-SSDOTTSWSA-N 0 0 178.235 1.391 10 0 ADAERN CCOCc1cncn1CC 258175786 573896821 /nfs/dbraw/zinc/89/68/21/573896821.db2.gz MPJVDRLFVHFDCR-UHFFFAOYSA-N 0 0 154.213 1.440 10 0 ADAERN Nc1cccc(NCC2CC(O)C2)c1 84446195 573896828 /nfs/dbraw/zinc/89/68/28/573896828.db2.gz QZXNZPMIMLBIEM-UHFFFAOYSA-N 0 0 192.262 1.452 10 0 ADAERN [NH3+]Cc1cccc(/C=C/C(=O)[O-])c1 80403710 573896852 /nfs/dbraw/zinc/89/68/52/573896852.db2.gz WAAHJXIVDMFPEE-SNAWJCMRSA-N 0 0 177.203 1.243 10 0 ADAERN c1scc2c1NCc1nncn1-2 76602611 573896868 /nfs/dbraw/zinc/89/68/68/573896868.db2.gz UXHXIGFITFCRAK-UHFFFAOYSA-N 0 0 178.220 1.254 10 0 ADAERN CSCc1cc(N)no1 257902401 573896874 /nfs/dbraw/zinc/89/68/74/573896874.db2.gz KRFQJCWVVHGMMV-UHFFFAOYSA-N 0 0 144.199 1.120 10 0 ADAERN CN1C(=O)N(C#N)C[C@@H]1C1CCC1 259578611 573896875 /nfs/dbraw/zinc/89/68/75/573896875.db2.gz VNQKMPAXAQTHQP-MRVPVSSYSA-N 0 0 179.223 1.004 10 0 ADAERN CC(C)C[C@@]1(C(=O)[O-])CCC[NH2+]1 76598502 573896880 /nfs/dbraw/zinc/89/68/80/573896880.db2.gz DCVYJZQRLUYARE-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN O=Cc1cnc2ccc(O)cc2c1 76599615 573896886 /nfs/dbraw/zinc/89/68/86/573896886.db2.gz QJBWSDSIEQAZKD-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN CC(C)[C@@H]1[C@@H](C)NC(=O)O[C@@H]1C 238174397 573896887 /nfs/dbraw/zinc/89/68/87/573896887.db2.gz XGJRMMALNTXPCE-BWZBUEFSSA-N 0 0 171.240 1.775 10 0 ADAERN CC(C)c1cnc(=O)[nH]c1Cl 238174157 573896893 /nfs/dbraw/zinc/89/68/93/573896893.db2.gz IPJMSVHEGDFSQY-UHFFFAOYSA-N 0 0 172.615 1.959 10 0 ADAERN Cn1cc(N)cc1[C@H]1CCCOC1 76604135 573896902 /nfs/dbraw/zinc/89/69/02/573896902.db2.gz ZRMNTQZZTTWQCN-QMMMGPOBSA-N 0 0 180.251 1.501 10 0 ADAERN CC(C)Oc1ccc2ncnn2c1 238174023 573897726 /nfs/dbraw/zinc/89/77/26/573897726.db2.gz WFNRNUOIWXFQFS-UHFFFAOYSA-N 0 0 177.207 1.517 10 0 ADAERN C[C@]1(c2ccc(F)cc2)CNC(=O)N1 257895010 573896916 /nfs/dbraw/zinc/89/69/16/573896916.db2.gz XWUORTDPQMOHQB-SNVBAGLBSA-N 0 0 194.209 1.354 10 0 ADAERN CC(C)c1cncc(C(N)=S)c1 238174673 573896929 /nfs/dbraw/zinc/89/69/29/573896929.db2.gz CNCDWWUFWXNCGL-UHFFFAOYSA-N 0 0 180.276 1.839 10 0 ADAERN CCCC1(C(C)(C)O)COC1 258519465 573896930 /nfs/dbraw/zinc/89/69/30/573896930.db2.gz HBOKPQKIWTVZMC-UHFFFAOYSA-N 0 0 158.241 1.574 10 0 ADAERN NOCCc1ccc2c(c1)CCO2 84445294 573896932 /nfs/dbraw/zinc/89/69/32/573896932.db2.gz QBCYGXQTSTYQMB-UHFFFAOYSA-N 0 0 179.219 1.054 10 0 ADAERN COC(=O)C1(C(=O)CC(C)C)CC1 259224210 573896937 /nfs/dbraw/zinc/89/69/37/573896937.db2.gz UNEHDRWPMRBMQL-UHFFFAOYSA-N 0 0 184.235 1.555 10 0 ADAERN CCCNc1nc(NC)ncc1F 84448431 573896941 /nfs/dbraw/zinc/89/69/41/573896941.db2.gz JGNYTZHYHZNBAD-UHFFFAOYSA-N 0 0 184.218 1.479 10 0 ADAERN C[C@@H]1[C@H](CC(=O)[O-])CCC[N@@H+]1C 76598637 573896953 /nfs/dbraw/zinc/89/69/53/573896953.db2.gz CWVPVJXOQOAZNX-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@H](O)[C@@H](C)OCC(C)C 44219678 573896954 /nfs/dbraw/zinc/89/69/54/573896954.db2.gz OLFZTPFBBRXKCF-BDAKNGLRSA-N 0 0 160.257 1.818 10 0 ADAERN Cc1cccc2c1N[C@H](C)C(=O)N2 76601349 573896988 /nfs/dbraw/zinc/89/69/88/573896988.db2.gz YDPPFWGOMGCKGS-SSDOTTSWSA-N 0 0 176.219 1.748 10 0 ADAERN CC1(C)Nc2ccccc2O[C@@]1(C)O 238174768 573896990 /nfs/dbraw/zinc/89/69/90/573896990.db2.gz SNVSQEADFXENSF-LLVKDONJSA-N 0 0 193.246 1.978 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1ccc[nH]1 123027103 573896995 /nfs/dbraw/zinc/89/69/95/573896995.db2.gz UGZCXWSNPDFSAL-GMSGAONNSA-N 0 0 179.219 1.622 10 0 ADAERN CCCC[C@]1(O)CCCC[C@H]1O 80450357 573897016 /nfs/dbraw/zinc/89/70/16/573897016.db2.gz XGPHLRAPCPJCLR-ZJUUUORDSA-N 0 0 172.268 1.843 10 0 ADAERN CC(=O)[C@@H]1[C@H]2CC[C@@H]1C(=O)C2 238174331 573897018 /nfs/dbraw/zinc/89/70/18/573897018.db2.gz ORUXFRWQRXEXGF-LKEWCRSYSA-N 0 0 152.193 1.191 10 0 ADAERN CCc1c[nH]c(C(C)(C)C(=O)OC)n1 258991236 573897021 /nfs/dbraw/zinc/89/70/21/573897021.db2.gz AZQZKZVPGYEIBX-UHFFFAOYSA-N 0 0 196.250 1.423 10 0 ADAERN CC1(OC(N)=O)CCC1 102299390 573897035 /nfs/dbraw/zinc/89/70/35/573897035.db2.gz KLWCNEYVHPBUNM-UHFFFAOYSA-N 0 0 129.159 1.024 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1cc[nH]c1 123028293 573897036 /nfs/dbraw/zinc/89/70/36/573897036.db2.gz YAVRNOBLFJYRJD-OIBJUYFYSA-N 0 0 179.219 1.622 10 0 ADAERN CC(C)CCNC=S 102329590 573897051 /nfs/dbraw/zinc/89/70/51/573897051.db2.gz CCJKXSVCYRTWKC-UHFFFAOYSA-N 0 0 131.244 1.579 10 0 ADAERN Cn1ccnc1[C@@](C)(O)C1(C)CC1 87365461 573897071 /nfs/dbraw/zinc/89/70/71/573897071.db2.gz IHOCSWCOLKFLEF-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H]1Nc2ccc(F)cc2OC1=O 259226720 573897090 /nfs/dbraw/zinc/89/70/90/573897090.db2.gz MCPRPCUWIRVBFW-YFKPBYRVSA-N 0 0 181.166 1.545 10 0 ADAERN C[C@H](O)COCCOc1ccccc1 44218830 573897099 /nfs/dbraw/zinc/89/70/99/573897099.db2.gz KOXPPLCGBVLDFP-JTQLQIEISA-N 0 0 196.246 1.463 10 0 ADAERN O=c1[nH]cc(Cc2ccco2)c(=O)[nH]1 257902560 573897161 /nfs/dbraw/zinc/89/71/61/573897161.db2.gz ALNITWVXHPIHCJ-UHFFFAOYSA-N 0 0 192.174 1.072 10 0 ADAERN COC(=O)N[C@H](CC1CC=CC1)OC 238375470 573897174 /nfs/dbraw/zinc/89/71/74/573897174.db2.gz GXKAUJSMIHYZPX-VIFPVBQESA-N 0 0 199.250 1.671 10 0 ADAERN CC[C@@H](CO)C(=O)c1ccc(C)o1 259226976 573897187 /nfs/dbraw/zinc/89/71/87/573897187.db2.gz USDHAOYJBVFTNW-QMMMGPOBSA-N 0 0 182.219 1.789 10 0 ADAERN CC(C)=Cc1nnc(N)s1 238174606 573897683 /nfs/dbraw/zinc/89/76/83/573897683.db2.gz KDUJGDQKXPTQLT-UHFFFAOYSA-N 0 0 155.226 1.544 10 0 ADAERN Cc1ccc(F)c([C@@H](O)C(C)(C)O)c1 235764526 573897190 /nfs/dbraw/zinc/89/71/90/573897190.db2.gz AOBXBSDCNVRYTL-SNVBAGLBSA-N 0 0 198.237 1.938 10 0 ADAERN CC(C)CCO[C@H](C)[C@@H](C)O 44218090 573897196 /nfs/dbraw/zinc/89/71/96/573897196.db2.gz LBLAXOVOBALASS-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN CC(=O)[C@@H]1CN(C)c2ccc(F)cc21 258175673 573897222 /nfs/dbraw/zinc/89/72/22/573897222.db2.gz SKXQDHUNXRYGGT-JTQLQIEISA-N 0 0 193.221 1.948 10 0 ADAERN CCOCc1nc(F)cc(F)n1 690003015 573897223 /nfs/dbraw/zinc/89/72/23/573897223.db2.gz OYXHSIUBHXPYPN-UHFFFAOYSA-N 0 0 174.150 1.291 10 0 ADAERN CCOCCO[C@H]1CCCC[C@@H]1O 44217146 573897224 /nfs/dbraw/zinc/89/72/24/573897224.db2.gz IWDLYZXVRUTEFU-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1cc[nH]c1 123027816 573897232 /nfs/dbraw/zinc/89/72/32/573897232.db2.gz YAVRNOBLFJYRJD-XVKPBYJWSA-N 0 0 179.219 1.622 10 0 ADAERN CC(=O)c1nccc(-c2ccc[nH]2)n1 259227530 573897249 /nfs/dbraw/zinc/89/72/49/573897249.db2.gz YNPQYAZGPJIFFT-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN CCCCOCCO[C@@H](C)[C@H](C)O 44225174 573897252 /nfs/dbraw/zinc/89/72/52/573897252.db2.gz ADLZTVLVEBBODD-UWVGGRQHSA-N 0 0 190.283 1.589 10 0 ADAERN C[NH+](C)[C@](C)(C(=O)[O-])C1(C)CC1 87366418 573897693 /nfs/dbraw/zinc/89/76/93/573897693.db2.gz VAMIBVVZEICECD-SECBINFHSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1[nH][nH]c2c(C(C)C)[nH]c(=O)c1-2 238174798 573897263 /nfs/dbraw/zinc/89/72/63/573897263.db2.gz IDXILLSOOOHNGK-SSDOTTSWSA-N 0 0 179.223 1.159 10 0 ADAERN CS/C=C1\CCC[C@H]1O 222529099 573897287 /nfs/dbraw/zinc/89/72/87/573897287.db2.gz AFZIPPQJJTVDOM-WEWAHIQMSA-N 0 0 144.239 1.778 10 0 ADAERN CC(C)c1nnc2n1[C@@H](C)CNC2 238174230 573897324 /nfs/dbraw/zinc/89/73/24/573897324.db2.gz IGKOBAXRXNANJR-ZETCQYMHSA-N 0 0 180.255 1.066 10 0 ADAERN C[C@H](O)C[C@H]1CCCCCC1=O 76598061 573897325 /nfs/dbraw/zinc/89/73/25/573897325.db2.gz RMLZIISIYXCIBB-DTWKUNHWSA-N 0 0 170.252 1.907 10 0 ADAERN CCSC(=O)c1cc(N)sn1 257902442 573897330 /nfs/dbraw/zinc/89/73/30/573897330.db2.gz KSQIDYQOLBJFSL-UHFFFAOYSA-N 0 0 188.277 1.619 10 0 ADAERN CCc1ccc(OC)c([C@@H](N)NC)c1 259224521 573897382 /nfs/dbraw/zinc/89/73/82/573897382.db2.gz GYKDIVGFJJKILS-NSHDSACASA-N 0 0 194.278 1.434 10 0 ADAERN CC(=O)OCc1oc(C)cc1C 238174632 573897392 /nfs/dbraw/zinc/89/73/92/573897392.db2.gz SIXCQSPQZHSRGS-UHFFFAOYSA-N 0 0 168.192 1.960 10 0 ADAERN CNc1c(-c2ccccn2)n[nH]c1C 259227836 573897410 /nfs/dbraw/zinc/89/74/10/573897410.db2.gz OOZJCTCYNQDYFZ-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN CC(=O)OCc1occ(C)c1C 238174671 573897424 /nfs/dbraw/zinc/89/74/24/573897424.db2.gz BJPQWFCKXUFVFU-UHFFFAOYSA-N 0 0 168.192 1.960 10 0 ADAERN C[C@H]1CC(=O)n2cccc21 211174813 573897430 /nfs/dbraw/zinc/89/74/30/573897430.db2.gz AXKMMUMGVVJEAC-LURJTMIESA-N 0 0 135.166 1.636 10 0 ADAERN C[C@H]1Nc2cc(O)ccc2OC1=O 259223847 573897438 /nfs/dbraw/zinc/89/74/38/573897438.db2.gz LXXBGUGQVVFYSR-RXMQYKEDSA-N 0 0 179.175 1.112 10 0 ADAERN Cc1ccc2c(c1)NC(=O)CCN2 76601358 573897468 /nfs/dbraw/zinc/89/74/68/573897468.db2.gz JVLPVCFGMJRRMB-UHFFFAOYSA-N 0 0 176.219 1.749 10 0 ADAERN COCCO[C@@H]1C[C@H](C)CC[C@@H]1O 44222503 573897470 /nfs/dbraw/zinc/89/74/70/573897470.db2.gz LZARLLFXJXZNME-KXUCPTDWSA-N 0 0 188.267 1.199 10 0 ADAERN CC(=O)c1cc(C[C@@H]2CCOC2)on1 259224108 573897485 /nfs/dbraw/zinc/89/74/85/573897485.db2.gz MBJZSCCAPOYHOG-QMMMGPOBSA-N 0 0 195.218 1.456 10 0 ADAERN COc1ccc2nc(C)cnc2c1N 259578515 573897731 /nfs/dbraw/zinc/89/77/31/573897731.db2.gz YNSBAGHZIBJYSO-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN CCOC(=O)[C@H](NC)c1ccc(C)o1 259224699 573897513 /nfs/dbraw/zinc/89/75/13/573897513.db2.gz MGGQXAWVQYZUGA-SECBINFHSA-N 0 0 197.234 1.412 10 0 ADAERN CC1(C)Nc2ccccc2O[C@]1(C)O 238174827 573897524 /nfs/dbraw/zinc/89/75/24/573897524.db2.gz SNVSQEADFXENSF-NSHDSACASA-N 0 0 193.246 1.978 10 0 ADAERN C[C@@]1(c2ccccc2O)CNC(=O)O1 257894976 573897536 /nfs/dbraw/zinc/89/75/36/573897536.db2.gz XWBJDRKSNWZQLR-JTQLQIEISA-N 0 0 193.202 1.347 10 0 ADAERN CCC[C@@H](C)[C@](CC)(C[NH3+])C(=O)[O-] 233283981 573897540 /nfs/dbraw/zinc/89/75/40/573897540.db2.gz QMTLZFBWKZCQLO-SCZZXKLOSA-N 0 0 187.283 1.862 10 0 ADAERN COc1nc(-c2ccccn2)c[nH]1 258993281 573897553 /nfs/dbraw/zinc/89/75/53/573897553.db2.gz BFFBOGCVVHHINC-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN O[C@H]1COC[C@H]1C1CCCC1 687967162 573897562 /nfs/dbraw/zinc/89/75/62/573897562.db2.gz RAWMWKHXJDHKOD-IUCAKERBSA-N 0 0 156.225 1.184 10 0 ADAERN CC1([C@]2(C)C[NH2+]C[C@H]2C(=O)[O-])CC1 87367699 573897563 /nfs/dbraw/zinc/89/75/63/573897563.db2.gz CDLJLNYTSAZQGV-OIBJUYFYSA-N 0 0 183.251 1.097 10 0 ADAERN c1cc2c(s1)-n1cnnc1CN2 76602616 573897732 /nfs/dbraw/zinc/89/77/32/573897732.db2.gz JFUMKDLGGXEWLN-UHFFFAOYSA-N 0 0 178.220 1.254 10 0 ADAERN CN(CC1CC(O)C1)c1ccccn1 84453448 573897582 /nfs/dbraw/zinc/89/75/82/573897582.db2.gz XPCICCNXODTHHG-UHFFFAOYSA-N 0 0 192.262 1.289 10 0 ADAERN CN1C[C@@H](c2ccccc2F)NC1=O 259224560 573897586 /nfs/dbraw/zinc/89/75/86/573897586.db2.gz CDRNNRDHRXXGBO-VIFPVBQESA-N 0 0 194.209 1.522 10 0 ADAERN CC1([C@](C)(C(=O)[O-])[NH+]2CCCC2)CC1 87366427 573897588 /nfs/dbraw/zinc/89/75/88/573897588.db2.gz SNSREVKNMODYHF-NSHDSACASA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@@H](O)[C@H](C)OCCOC(C)C 44223596 573897595 /nfs/dbraw/zinc/89/75/95/573897595.db2.gz PEPHYSYVTZJOQZ-VHSXEESVSA-N 0 0 190.283 1.587 10 0 ADAERN CCOCCO[C@H]1CCCC[C@H]1O 44217152 573897599 /nfs/dbraw/zinc/89/75/99/573897599.db2.gz IWDLYZXVRUTEFU-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H]1Nc2cc(N)ccc2N(C)C1=O 259226859 573897606 /nfs/dbraw/zinc/89/76/06/573897606.db2.gz MGFUKYKZJOGXOB-LURJTMIESA-N 0 0 191.234 1.046 10 0 ADAERN CNc1nccc(N2CCCCC2)n1 84453420 573897632 /nfs/dbraw/zinc/89/76/32/573897632.db2.gz JMBXFWLNDICSRU-UHFFFAOYSA-N 0 0 192.266 1.509 10 0 ADAERN CC[C@@H](O)[C@@H](C)OCCOC(C)C 44223585 573897638 /nfs/dbraw/zinc/89/76/38/573897638.db2.gz PEPHYSYVTZJOQZ-NXEZZACHSA-N 0 0 190.283 1.587 10 0 ADAERN O=C1CCc2cc3cnoc3cc2N1 80498779 573897647 /nfs/dbraw/zinc/89/76/47/573897647.db2.gz WZGXKUBBDQVTKE-UHFFFAOYSA-N 0 0 188.186 1.713 10 0 ADAERN C[C@H]([C@@H]1CC(=O)NC1=O)C1(C)CC1 87368039 573897664 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/nfs/dbraw/zinc/90/35/71/573903571.db2.gz CSGJFUSPHKZHFV-LURJTMIESA-N 0 0 169.249 1.911 10 0 ADAERN Nc1n[nH]nc1-c1ccc(F)cc1 257904014 573903599 /nfs/dbraw/zinc/90/35/99/573903599.db2.gz PKQCYNLLGHSAJL-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN CCC(CC)ON 80692531 573903604 /nfs/dbraw/zinc/90/36/04/573903604.db2.gz GOPWBJFEQAAWMF-UHFFFAOYSA-N 0 0 103.165 1.065 10 0 ADAERN CCC(=O)C1=NC[C@@H](C)S1 238192831 573903611 /nfs/dbraw/zinc/90/36/11/573903611.db2.gz FDELAFHJBGUAAR-RXMQYKEDSA-N 0 0 157.238 1.499 10 0 ADAERN C[C@@H]1CC(=O)N(c2cccc(O)c2)O1 257895975 573903619 /nfs/dbraw/zinc/90/36/19/573903619.db2.gz XWZQUWFZNLXOSK-SSDOTTSWSA-N 0 0 193.202 1.449 10 0 ADAERN Cc1ccc(-c2ccnc(CO)n2)o1 259229971 573903628 /nfs/dbraw/zinc/90/36/28/573903628.db2.gz YPXYKLXLOTWUIY-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN CCn1nc(N)c2c1CC[C@@]2(C)F 257903901 573903646 /nfs/dbraw/zinc/90/36/46/573903646.db2.gz PJXJSFGIWVBBDS-SECBINFHSA-N 0 0 183.230 1.616 10 0 ADAERN OCc1cnc(-c2ccccn2)o1 257884615 573903666 /nfs/dbraw/zinc/90/36/66/573903666.db2.gz APJWIKHJDXHTHZ-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN CC(C)(O)[C@H]1COc2ccccc2N1 238192005 573903668 /nfs/dbraw/zinc/90/36/68/573903668.db2.gz DSYMHNNEKCZAGE-SNVBAGLBSA-N 0 0 193.246 1.630 10 0 ADAERN OCC[C@@H]1CNc2cc(O)ccc2C1 257896018 573903670 /nfs/dbraw/zinc/90/36/70/573903670.db2.gz XXKXZSJIHCJTRV-QMMMGPOBSA-N 0 0 193.246 1.359 10 0 ADAERN COCCCCC(=O)[C@H]1C[C@H]1OC 690004867 573903672 /nfs/dbraw/zinc/90/36/72/573903672.db2.gz KYBNQARLBRPLNM-PSASIEDQSA-N 0 0 186.251 1.407 10 0 ADAERN CC1(C)C(=O)Cc2ccc(N)cc21 238192743 573903675 /nfs/dbraw/zinc/90/36/75/573903675.db2.gz LWJVQKFDKPSXMS-UHFFFAOYSA-N 0 0 175.231 1.672 10 0 ADAERN COc1cccc2c1C[C@H](O)CN2 257895924 573903688 /nfs/dbraw/zinc/90/36/88/573903688.db2.gz OFMGHIHZOCVQOQ-ZETCQYMHSA-N 0 0 179.219 1.024 10 0 ADAERN C[C@@H](O)Cc1ccc(F)cc1C=O 258176700 573903697 /nfs/dbraw/zinc/90/36/97/573903697.db2.gz WIOMGUIJHVSWKP-SSDOTTSWSA-N 0 0 182.194 1.562 10 0 ADAERN CCC(=O)C1C2CC1C2 238192977 573903702 /nfs/dbraw/zinc/90/37/02/573903702.db2.gz NIAUHHKRTDJBIZ-UHFFFAOYSA-N 0 0 124.183 1.622 10 0 ADAERN CCC[N@@H+]1CC[C@@H](C(=O)[O-])CC1(C)C 259225059 573903704 /nfs/dbraw/zinc/90/37/04/573903704.db2.gz DDFFLPDASGZEDG-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1nc2noc(C(C)C)c2c(=O)[nH]1 238192126 573903730 /nfs/dbraw/zinc/90/37/30/573903730.db2.gz VUWIDRXYPVHFGY-UHFFFAOYSA-N 0 0 193.206 1.343 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)c1cc[nH]c1 690071739 573903738 /nfs/dbraw/zinc/90/37/38/573903738.db2.gz GSZQFTUZAGOION-DJLDLDEBSA-N 0 0 167.208 1.083 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](n2cc([O-])cn2)C1 257903891 573903750 /nfs/dbraw/zinc/90/37/50/573903750.db2.gz ICHZRHZAAWXJNC-VIFPVBQESA-N 0 0 195.266 1.244 10 0 ADAERN Cc1cc(N)cnc1-c1nccn1C 235788240 573903760 /nfs/dbraw/zinc/90/37/60/573903760.db2.gz VXIOSGMFOPGIAG-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)(C)c1csc(CON)n1 87391955 573903771 /nfs/dbraw/zinc/90/37/71/573903771.db2.gz ZYYHDPVRXDDIBI-UHFFFAOYSA-N 0 0 186.280 1.831 10 0 ADAERN CCC(CC)[C@H]1CC[C@@H](O)O1 238192948 573903773 /nfs/dbraw/zinc/90/37/73/573903773.db2.gz RMSUZFPRPCPKRA-BDAKNGLRSA-N 0 0 158.241 1.920 10 0 ADAERN OC[C@@]1(c2ccccc2F)CCO1 258450872 573904124 /nfs/dbraw/zinc/90/41/24/573904124.db2.gz GCUVOHYJHLRLIB-SNVBAGLBSA-N 0 0 182.194 1.434 10 0 ADAERN CC1=NO[C@H](c2ccccc2)[C@H]1O 238191673 573903791 /nfs/dbraw/zinc/90/37/91/573903791.db2.gz DCIGNDVAEIGKDH-VHSXEESVSA-N 0 0 177.203 1.495 10 0 ADAERN CC[C@@](C)(O)CC[C@@H](C)O 80675913 573903796 /nfs/dbraw/zinc/90/37/96/573903796.db2.gz NKWKZLRCUPYPSO-HTQZYQBOSA-N 0 0 146.230 1.308 10 0 ADAERN CCc1[nH]c(C=O)nc1C(C)C 258450197 573903801 /nfs/dbraw/zinc/90/38/01/573903801.db2.gz FSTZVEVIRHNHHA-UHFFFAOYSA-N 0 0 166.224 1.908 10 0 ADAERN CCOc1ccccc1NCCCO 41571658 573903817 /nfs/dbraw/zinc/90/38/17/573903817.db2.gz LKPQBUZCYFKIQV-UHFFFAOYSA-N 0 0 195.262 1.880 10 0 ADAERN O[C@@H]1CC[C@H]1O[C@H]1CC[C@@H]1F 725239967 573903839 /nfs/dbraw/zinc/90/38/39/573903839.db2.gz OXJUHAJOBRAZFK-FKSUSPILSA-N 0 0 160.188 1.027 10 0 ADAERN CC[C@H](C)[C@H](NN)[C@](C)(CC)OC 253004453 573903845 /nfs/dbraw/zinc/90/38/45/573903845.db2.gz LVZBFGORSBHIBW-GUBZILKMSA-N 0 0 188.315 1.680 10 0 ADAERN CC(C)[C@@H]1[C@@H]2CCCC(=O)[C@@]21O 238191038 573903850 /nfs/dbraw/zinc/90/38/50/573903850.db2.gz CRJPFEAQVHYDRO-SFGNSQDASA-N 0 0 168.236 1.373 10 0 ADAERN Cn1c(Cl)cnc1[C@H]1CCOC1 258450843 573903856 /nfs/dbraw/zinc/90/38/56/573903856.db2.gz GBLASNRZIZHGFD-LURJTMIESA-N 0 0 186.642 1.577 10 0 ADAERN CC(=O)c1ccccc1[C@H](C)O 80674718 573903861 /nfs/dbraw/zinc/90/38/61/573903861.db2.gz VYUGBSHERCSIDQ-ZETCQYMHSA-N 0 0 164.204 1.943 10 0 ADAERN Cc1ccc(C(=O)NC#N)c(Cl)c1 235788534 573903888 /nfs/dbraw/zinc/90/38/88/573903888.db2.gz RDMSWOIQNFCTQD-UHFFFAOYSA-N 0 0 194.621 1.859 10 0 ADAERN CC(C)(C)OC(=O)CC/C=C\CO 393569703 573903891 /nfs/dbraw/zinc/90/38/91/573903891.db2.gz UOYMQHAZXJLTIB-XQRVVYSFSA-N 0 0 186.251 1.657 10 0 ADAERN CC(C)(CO)Cc1nccs1 87398407 573903906 /nfs/dbraw/zinc/90/39/06/573903906.db2.gz AGTSDLQLLCXEBH-UHFFFAOYSA-N 0 0 171.265 1.704 10 0 ADAERN CC1(C)CC=C[C@](C)(O)C1=O 238192781 573903910 /nfs/dbraw/zinc/90/39/10/573903910.db2.gz LTJBUTMCWAHCTQ-VIFPVBQESA-N 0 0 154.209 1.293 10 0 ADAERN CC(C)CCCCN1CNCC1=O 131554643 573903913 /nfs/dbraw/zinc/90/39/13/573903913.db2.gz BGJPMAAIWMFZBH-UHFFFAOYSA-N 0 0 184.283 1.202 10 0 ADAERN CCC[C@@H](C)[C@@H](O)CCOC(C)=O 393569003 573903917 /nfs/dbraw/zinc/90/39/17/573903917.db2.gz ZSLJFVWQHOHIPG-SCZZXKLOSA-N 0 0 188.267 1.737 10 0 ADAERN CSCc1c(N)cnn1C(C)C 257895903 573903928 /nfs/dbraw/zinc/90/39/28/573903928.db2.gz JRUBMCKFOBGCEJ-UHFFFAOYSA-N 0 0 185.296 1.909 10 0 ADAERN Cc1csc(CCCCO)n1 87397748 573903930 /nfs/dbraw/zinc/90/39/30/573903930.db2.gz VLYLJCKLMXWYBM-UHFFFAOYSA-N 0 0 171.265 1.767 10 0 ADAERN C[C@H]1Nc2ccc(O)cc2OC1=O 259229503 573903953 /nfs/dbraw/zinc/90/39/53/573903953.db2.gz MHBVGCBZIBDOQP-RXMQYKEDSA-N 0 0 179.175 1.112 10 0 ADAERN C[C@H](O)CCc1nccs1 87395786 573904018 /nfs/dbraw/zinc/90/40/18/573904018.db2.gz LFBAWGMXUJOASE-LURJTMIESA-N 0 0 157.238 1.457 10 0 ADAERN C[C@H](O)c1cccc(Cl)c1N 222582100 573903967 /nfs/dbraw/zinc/90/39/67/573903967.db2.gz QRIMCYYWNZPQJY-YFKPBYRVSA-N 0 0 171.627 1.976 10 0 ADAERN Cc1nc2onc(C(C)C)c2c(=O)[nH]1 238191506 573903970 /nfs/dbraw/zinc/90/39/70/573903970.db2.gz LMTFWEWSGHBWRW-UHFFFAOYSA-N 0 0 193.206 1.343 10 0 ADAERN C[C@H](O)[C@@H]1CCCC[C@@H]1F 258450225 573903972 /nfs/dbraw/zinc/90/39/72/573903972.db2.gz FUJJBFAYYFDJFR-FXQIFTODSA-N 0 0 146.205 1.896 10 0 ADAERN CC1(C)SC(C)(C)[C@@H](O)C1=O 238193243 573903979 /nfs/dbraw/zinc/90/39/79/573903979.db2.gz GQCNBFSGSDQKEJ-YFKPBYRVSA-N 0 0 174.265 1.220 10 0 ADAERN Cc1csc(CC(C)(C)O)n1 87394183 573903985 /nfs/dbraw/zinc/90/39/85/573903985.db2.gz NFKPZIDCBGQECX-UHFFFAOYSA-N 0 0 171.265 1.765 10 0 ADAERN Nc1ccc2c3c([nH]c2n1)CCOC3 257895984 573904986 /nfs/dbraw/zinc/90/49/86/573904986.db2.gz XXCPUONCDKLSFX-UHFFFAOYSA-N 0 0 189.218 1.218 10 0 ADAERN Cc1cc(N)cnc1N1CC=CCC1 235775045 573905005 /nfs/dbraw/zinc/90/50/05/573905005.db2.gz HUIJEUFBACJFBI-UHFFFAOYSA-N 0 0 189.262 1.739 10 0 ADAERN CCc1c(C)c[nH]c1C(=O)N(C)C 45814749 573905006 /nfs/dbraw/zinc/90/50/06/573905006.db2.gz LZZYDRQGIJCWPJ-UHFFFAOYSA-N 0 0 180.251 1.587 10 0 ADAERN CC1(O)CCCCC1 222592166 573905014 /nfs/dbraw/zinc/90/50/14/573905014.db2.gz MFMQRBPOKLINLX-UHFFFAOYSA-N 0 0 113.180 1.516 10 0 ADAERN Cc1ccc(C)n1NC1CC1 235781647 573905019 /nfs/dbraw/zinc/90/50/19/573905019.db2.gz YTTQRPSGTDHUJI-UHFFFAOYSA-N 0 0 150.225 1.811 10 0 ADAERN CC(C)C(=O)Cc1ccncc1F 238191074 573905948 /nfs/dbraw/zinc/90/59/48/573905948.db2.gz ZTYDTKFBTJBKPA-UHFFFAOYSA-N 0 0 181.210 1.988 10 0 ADAERN CCn1c(C[NH3+])cc2c(N)cccc21 257904186 573905999 /nfs/dbraw/zinc/90/59/99/573905999.db2.gz BHAZIOZDZAJICW-UHFFFAOYSA-N 0 0 189.262 1.702 10 0 ADAERN CC(=O)[C@H](C)Cc1nccs1 87392050 573906000 /nfs/dbraw/zinc/90/60/00/573906000.db2.gz CSGJFUSPHKZHFV-ZCFIWIBFSA-N 0 0 169.249 1.911 10 0 ADAERN Cc1cccnc1NC(=O)C(C)(C)O 235787172 573906004 /nfs/dbraw/zinc/90/60/04/573906004.db2.gz QMUNMTVURCFHKZ-UHFFFAOYSA-N 0 0 194.234 1.099 10 0 ADAERN C[C@H](O)[C@H]1CCCC[C@H]1F 258450227 573905037 /nfs/dbraw/zinc/90/50/37/573905037.db2.gz FUJJBFAYYFDJFR-XLPZGREQSA-N 0 0 146.205 1.896 10 0 ADAERN Cc1nc(C=O)c2cccc(F)c2n1 257904196 573905049 /nfs/dbraw/zinc/90/50/49/573905049.db2.gz ZFMXCQCMUPKVAI-UHFFFAOYSA-N 0 0 190.177 1.890 10 0 ADAERN Cc1cncc(CC(=O)C(C)C)n1 238191096 573905057 /nfs/dbraw/zinc/90/50/57/573905057.db2.gz PYAIKYPULDVIRD-UHFFFAOYSA-N 0 0 178.235 1.553 10 0 ADAERN COCCC1(O)CCCC1 257904062 573905058 /nfs/dbraw/zinc/90/50/58/573905058.db2.gz DULRDRZMALTGQS-UHFFFAOYSA-N 0 0 144.214 1.328 10 0 ADAERN COCC[C@@H](C)[C@]1(CO)CCOC1 131541870 573905059 /nfs/dbraw/zinc/90/50/59/573905059.db2.gz FTXDUKYGUMKHHG-ZJUUUORDSA-N 0 0 188.267 1.058 10 0 ADAERN Cc1ncoc1C(=O)N[C@@H]1CC12CC2 335496933 573905060 /nfs/dbraw/zinc/90/50/60/573905060.db2.gz VCURHUGSCZRKEU-SSDOTTSWSA-N 0 0 192.218 1.265 10 0 ADAERN CCO[C@@H]1C[C@@H]1[C@H](O)C1CCCC1 689896078 573905067 /nfs/dbraw/zinc/90/50/67/573905067.db2.gz ZKNCDLLWYWVSEL-HBNTYKKESA-N 0 0 184.279 1.963 10 0 ADAERN CC[C@](C)(O)CC[C@H](C)O 80675917 573905090 /nfs/dbraw/zinc/90/50/90/573905090.db2.gz NKWKZLRCUPYPSO-YUMQZZPRSA-N 0 0 146.230 1.308 10 0 ADAERN O[C@@H]1CC[C@@H]1O[C@H]1CC[C@@H]1F 725239968 573905107 /nfs/dbraw/zinc/90/51/07/573905107.db2.gz OXJUHAJOBRAZFK-YWIQKCBGSA-N 0 0 160.188 1.027 10 0 ADAERN CC1(O)C[NH+]([C@@H]2C=CCCCCC2)C1 308461556 573905128 /nfs/dbraw/zinc/90/51/28/573905128.db2.gz RXTKETGZWYNCHA-LLVKDONJSA-N 0 0 195.306 1.942 10 0 ADAERN CC1=N[C@@H]2[C@@H](O)CCC[C@@H]2C1 238193029 573905129 /nfs/dbraw/zinc/90/51/29/573905129.db2.gz NWDUBAJRIXFTEW-VGMNWLOBSA-N 0 0 153.225 1.381 10 0 ADAERN COC(=O)CCCN(C)c1cc[nH]c1 258998587 573905131 /nfs/dbraw/zinc/90/51/31/573905131.db2.gz YMKDJCWCDBVTQB-UHFFFAOYSA-N 0 0 196.250 1.404 10 0 ADAERN CC1=N[C@@H](O)[C@@H](c2ccccc2)O1 238192254 573905141 /nfs/dbraw/zinc/90/51/41/573905141.db2.gz QTTVOKQWWJHWJV-ZJUUUORDSA-N 0 0 177.203 1.495 10 0 ADAERN CC(C)(O)/C=C/Br 238192964 573905147 /nfs/dbraw/zinc/90/51/47/573905147.db2.gz RKFIIYKVBHGGPW-ONEGZZNKSA-N 0 0 165.030 1.666 10 0 ADAERN Cc1csc(C[C@H](C)CO)n1 87398454 573905163 /nfs/dbraw/zinc/90/51/63/573905163.db2.gz DEBGZWAQDXGFGN-LURJTMIESA-N 0 0 171.265 1.622 10 0 ADAERN CCC(=O)C1C(C)=C1C 238192956 573905165 /nfs/dbraw/zinc/90/51/65/573905165.db2.gz QCIQDWUORXXNCA-UHFFFAOYSA-N 0 0 124.183 1.932 10 0 ADAERN Cc1cc(N)cnc1-c1cnccn1 235788023 573905167 /nfs/dbraw/zinc/90/51/67/573905167.db2.gz AUGVSYMMFAKLAX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[C@@H](O)c1cc(O)ccc1N 258445776 573905169 /nfs/dbraw/zinc/90/51/69/573905169.db2.gz FMLUJQZISVJIEU-SECBINFHSA-N 0 0 167.208 1.418 10 0 ADAERN Cc1csc(C[C@@H](C)CO)n1 87398453 573905179 /nfs/dbraw/zinc/90/51/79/573905179.db2.gz DEBGZWAQDXGFGN-ZCFIWIBFSA-N 0 0 171.265 1.622 10 0 ADAERN CC1(C)C[C@H]1Nc1cncc(N)n1 84544764 573905189 /nfs/dbraw/zinc/90/51/89/573905189.db2.gz BAFBEFOMKHLFCX-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H](O)Cc1ccc(F)cc1C=O 258176704 573905191 /nfs/dbraw/zinc/90/51/91/573905191.db2.gz WIOMGUIJHVSWKP-ZETCQYMHSA-N 0 0 182.194 1.562 10 0 ADAERN CC[C@@H](OCCC(F)(F)F)C(N)=O 131690485 573905242 /nfs/dbraw/zinc/90/52/42/573905242.db2.gz AOUISTXDNRFTIA-RXMQYKEDSA-N 0 0 199.172 1.219 10 0 ADAERN CC1=NO[C@@H](c2ccc(C)cc2)[C@@H]1O 238191205 573905214 /nfs/dbraw/zinc/90/52/14/573905214.db2.gz RDMHCVQDDBYFQE-MNOVXSKESA-N 0 0 191.230 1.803 10 0 ADAERN CC1(C)O[C@]12CCCC2=O 238191690 573905255 /nfs/dbraw/zinc/90/52/55/573905255.db2.gz PDIJOBYOIPPLEE-QMMMGPOBSA-N 0 0 140.182 1.287 10 0 ADAERN CC(C)(O)[C@]12C[C@H]1CCC2=O 238192830 573905263 /nfs/dbraw/zinc/90/52/63/573905263.db2.gz VHZFLRJYSLONNN-HZGVNTEJSA-N 0 0 154.209 1.127 10 0 ADAERN CCC(CC)[C@H]1CC[C@H](O)O1 238192961 573905269 /nfs/dbraw/zinc/90/52/69/573905269.db2.gz RMSUZFPRPCPKRA-RKDXNWHRSA-N 0 0 158.241 1.920 10 0 ADAERN CC[C@H](C)Sc1nc(C)nc(N)n1 642821956 573905272 /nfs/dbraw/zinc/90/52/72/573905272.db2.gz BFRUZTGDZDIDPK-YFKPBYRVSA-N 0 0 198.295 1.653 10 0 ADAERN Cc1nc2c(s1)C(=O)NC(C)(C)C2 165925959 573905275 /nfs/dbraw/zinc/90/52/75/573905275.db2.gz BMAPSJOTRHLQLK-UHFFFAOYSA-N 0 0 196.275 1.516 10 0 ADAERN CC1(C)C(=O)Cc2cccc(O)c21 238192979 573905292 /nfs/dbraw/zinc/90/52/92/573905292.db2.gz DDXFLMJXNHJJRW-UHFFFAOYSA-N 0 0 176.215 1.795 10 0 ADAERN CCC1(NC(=O)[C@@H]2CC23CC3)CC1 335493769 573905298 /nfs/dbraw/zinc/90/52/98/573905298.db2.gz FGAGDHPZFGUOTQ-QMMMGPOBSA-N 0 0 179.263 1.845 10 0 ADAERN COC(=O)C=C(NC1CC1)C(C)C 308461611 573905304 /nfs/dbraw/zinc/90/53/04/573905304.db2.gz HQQYHCMJUAHMHM-RMKNXTFCSA-N 0 0 183.251 1.451 10 0 ADAERN Cc1ccccc1C(=O)[C@H](O)C1CC1 235788949 573905305 /nfs/dbraw/zinc/90/53/05/573905305.db2.gz JLPQNXWLGRELPW-LLVKDONJSA-N 0 0 190.242 1.949 10 0 ADAERN CCOc1cc(OCC)on1 45814106 573905309 /nfs/dbraw/zinc/90/53/09/573905309.db2.gz LXEJWJQGMRMGLH-UHFFFAOYSA-N 0 0 157.169 1.472 10 0 ADAERN C[C@@H](O)CCc1nccs1 87395787 573905328 /nfs/dbraw/zinc/90/53/28/573905328.db2.gz LFBAWGMXUJOASE-ZCFIWIBFSA-N 0 0 157.238 1.457 10 0 ADAERN COCCC[NH2+][C@H](C(F)F)C1CC1 308461655 573905331 /nfs/dbraw/zinc/90/53/31/573905331.db2.gz HSNBYVXXVQTPGM-QMMMGPOBSA-N 0 0 193.237 1.656 10 0 ADAERN Cc1ccccc1C(=O)[C@@H](O)C1CC1 235788505 573905337 /nfs/dbraw/zinc/90/53/37/573905337.db2.gz JLPQNXWLGRELPW-NSHDSACASA-N 0 0 190.242 1.949 10 0 ADAERN Cc1[nH]ccc1C(=O)N[C@H]1CC12CC2 335496949 573905343 /nfs/dbraw/zinc/90/53/43/573905343.db2.gz VJIMOZALXVLCDQ-VIFPVBQESA-N 0 0 190.246 1.605 10 0 ADAERN CC1(C)NCC(F)(F)[C@H]1F 258451892 573905357 /nfs/dbraw/zinc/90/53/57/573905357.db2.gz GDLYBHQIAPJPHU-BYPYZUCNSA-N 0 0 153.147 1.342 10 0 ADAERN CC1(C)C(=O)Cc2c(N)cccc21 238192278 573905358 /nfs/dbraw/zinc/90/53/58/573905358.db2.gz XNVJPZYWCMUAOZ-UHFFFAOYSA-N 0 0 175.231 1.672 10 0 ADAERN O=Cc1cc([C@H]2CCCO2)no1 45814247 573905374 /nfs/dbraw/zinc/90/53/74/573905374.db2.gz HFGLNMKTCJMXQB-MRVPVSSYSA-N 0 0 167.164 1.339 10 0 ADAERN Cc1csc(CC2(O)CCC2)n1 87394597 573905381 /nfs/dbraw/zinc/90/53/81/573905381.db2.gz MTDXBSZXFLNPLF-UHFFFAOYSA-N 0 0 183.276 1.909 10 0 ADAERN CC(C)SC(=O)c1c[nH]nc1N 257903923 573905394 /nfs/dbraw/zinc/90/53/94/573905394.db2.gz LANSIHXJZPRHBV-UHFFFAOYSA-N 0 0 185.252 1.274 10 0 ADAERN CC[C@H](O)CCc1nccs1 87395824 573905397 /nfs/dbraw/zinc/90/53/97/573905397.db2.gz OLEZVIINNZFCTQ-ZETCQYMHSA-N 0 0 171.265 1.847 10 0 ADAERN Cc1o[n-]c(=O)c1CCC1([NH3+])CC1 257903756 573905410 /nfs/dbraw/zinc/90/54/10/573905410.db2.gz PHOAALAZPYSYSQ-UHFFFAOYSA-N 0 0 182.223 1.113 10 0 ADAERN CN(C)C(=O)NCCCCC1CC1 716371057 573905411 /nfs/dbraw/zinc/90/54/11/573905411.db2.gz UZPRXUYYQDUJHE-UHFFFAOYSA-N 0 0 184.283 1.838 10 0 ADAERN CC(=O)[C@H](C(N)=O)c1ccccc1C 238192277 573905413 /nfs/dbraw/zinc/90/54/13/573905413.db2.gz ZSTXKBVJBMLAGA-JTQLQIEISA-N 0 0 191.230 1.153 10 0 ADAERN CC1(C)CC=CCC1=O 238191646 573905420 /nfs/dbraw/zinc/90/54/20/573905420.db2.gz CNNPIXADVGSVMM-UHFFFAOYSA-N 0 0 124.183 1.932 10 0 ADAERN CONCc1cc(C)c(F)c(OC)c1 258177424 573905424 /nfs/dbraw/zinc/90/54/24/573905424.db2.gz QRSKDWHZWKHJQZ-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN CC1(C)CC=C(CO)[C@@](C)(O)C1 238191071 573905438 /nfs/dbraw/zinc/90/54/38/573905438.db2.gz KRDPGIIVRCTDLV-JTQLQIEISA-N 0 0 170.252 1.476 10 0 ADAERN CC[C@H](C(=O)OC)c1nccc(C)n1 258998123 573905463 /nfs/dbraw/zinc/90/54/63/573905463.db2.gz CYDQESVYIFZMDS-QMMMGPOBSA-N 0 0 194.234 1.452 10 0 ADAERN CCc1ncc2n1[C@@H](O)CCC2 258449675 573905477 /nfs/dbraw/zinc/90/54/77/573905477.db2.gz WVFGUWAOHFDPSI-VIFPVBQESA-N 0 0 166.224 1.273 10 0 ADAERN C[N@@H+]1CCC[C@H]1c1cc(C(=O)[O-])no1 258178217 573905491 /nfs/dbraw/zinc/90/54/91/573905491.db2.gz UTKHMKMMNLSLOV-ZETCQYMHSA-N 0 0 196.206 1.140 10 0 ADAERN CC1=N[C@@H](c2ccccc2)CC(=O)N1 238192431 573905500 /nfs/dbraw/zinc/90/55/00/573905500.db2.gz BWKDICXVZCIERW-SNVBAGLBSA-N 0 0 188.230 1.666 10 0 ADAERN CN(C)c1ccc(NCCCO)cc1 41579054 573905514 /nfs/dbraw/zinc/90/55/14/573905514.db2.gz PAKCNXPBHVUWPQ-UHFFFAOYSA-N 0 0 194.278 1.547 10 0 ADAERN CCCC1=C(C(=O)[O-])CC[N@H+](C)C1 257903715 573906024 /nfs/dbraw/zinc/90/60/24/573906024.db2.gz PGTYQXYALVGEKO-UHFFFAOYSA-N 0 0 183.251 1.503 10 0 ADAERN C[C@H](O)[C@@H](C)OCCC(F)(F)F 131691885 573905544 /nfs/dbraw/zinc/90/55/44/573905544.db2.gz YHKBRUYOHIXPJX-NTSWFWBYSA-N 0 0 186.173 1.725 10 0 ADAERN OCC[C@H]1CNc2cc(O)ccc2C1 257896015 573905547 /nfs/dbraw/zinc/90/55/47/573905547.db2.gz XXKXZSJIHCJTRV-MRVPVSSYSA-N 0 0 193.246 1.359 10 0 ADAERN C[C@H]1CN(Cl)CCN1Cl 45814289 573905575 /nfs/dbraw/zinc/90/55/75/573905575.db2.gz SWDJPBGAZBDTCR-YFKPBYRVSA-N 0 0 169.055 1.300 10 0 ADAERN CC(C)C[C@H]([NH3+])C[P@@](C)(=O)[O-] 238192000 573905581 /nfs/dbraw/zinc/90/55/81/573905581.db2.gz BAHFGIGFBOYEAZ-ZETCQYMHSA-N 0 0 179.200 1.260 10 0 ADAERN Cc1ccccc1[C@H](O)C(C)(C)O 235774842 573905591 /nfs/dbraw/zinc/90/55/91/573905591.db2.gz FUFWFKXNBAKWIZ-JTQLQIEISA-N 0 0 180.247 1.799 10 0 ADAERN Nc1nc(Cl)nc2c(O)cccc12 257896055 573905596 /nfs/dbraw/zinc/90/55/96/573905596.db2.gz XYCWKYAYHRTPIO-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN COc1cnn(C)c1C(=O)C(C)C 123040407 573905606 /nfs/dbraw/zinc/90/56/06/573905606.db2.gz QYOWJBRMAQIOQF-UHFFFAOYSA-N 0 0 182.223 1.267 10 0 ADAERN C[C@H]1CC(=O)N(c2cccc(O)c2)O1 257895978 573905612 /nfs/dbraw/zinc/90/56/12/573905612.db2.gz XWZQUWFZNLXOSK-ZETCQYMHSA-N 0 0 193.202 1.449 10 0 ADAERN Cc1cc2cc(O)c(N)cc2[nH]1 45823795 573905621 /nfs/dbraw/zinc/90/56/21/573905621.db2.gz CZIMPBLCHLCNIW-UHFFFAOYSA-N 0 0 162.192 1.764 10 0 ADAERN Oc1ccc([C@]2(F)CCC[NH2+]C2)cc1 257903987 573905630 /nfs/dbraw/zinc/90/56/30/573905630.db2.gz ZCEUJNLNWXKRTR-NSHDSACASA-N 0 0 195.237 1.940 10 0 ADAERN CC1=NO[C@@H](c2ccccc2)[C@H]1O 238191313 573905633 /nfs/dbraw/zinc/90/56/33/573905633.db2.gz DCIGNDVAEIGKDH-UWVGGRQHSA-N 0 0 177.203 1.495 10 0 ADAERN CCSCc1cc(N)nn1CC 257903699 573905639 /nfs/dbraw/zinc/90/56/39/573905639.db2.gz KWNSXKXBOBLHTN-UHFFFAOYSA-N 0 0 185.296 1.738 10 0 ADAERN Cn1c(Cl)cnc1[C@@H]1CCOC1 258450845 573905662 /nfs/dbraw/zinc/90/56/62/573905662.db2.gz GBLASNRZIZHGFD-ZCFIWIBFSA-N 0 0 186.642 1.577 10 0 ADAERN C[C@H]1OCC[C@@H]1CNc1cccnn1 235666425 573905686 /nfs/dbraw/zinc/90/56/86/573905686.db2.gz XEXJCVZBKYSDHR-RKDXNWHRSA-N 0 0 193.250 1.314 10 0 ADAERN COCC[C@H](C)[C@@]1(CO)CCOC1 131542084 573905708 /nfs/dbraw/zinc/90/57/08/573905708.db2.gz FTXDUKYGUMKHHG-VHSXEESVSA-N 0 0 188.267 1.058 10 0 ADAERN CC1(C)C(=O)Cc2ccc(CO)cc21 238192668 573905712 /nfs/dbraw/zinc/90/57/12/573905712.db2.gz XICCSGPHRHMKHH-UHFFFAOYSA-N 0 0 190.242 1.582 10 0 ADAERN OC/C=C/Cc1cccc(O)c1 258450212 573905727 /nfs/dbraw/zinc/90/57/27/573905727.db2.gz FTLXOPDOVPEYJG-OWOJBTEDSA-N 0 0 164.204 1.483 10 0 ADAERN Cc1cc(CO)cc2c1OCCCO2 258176640 573905730 /nfs/dbraw/zinc/90/57/30/573905730.db2.gz WHUKYBBXVZZWAM-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN CC1=NO[C@H](c2ccccc2)[C@@H]1O 238191640 573905739 /nfs/dbraw/zinc/90/57/39/573905739.db2.gz DCIGNDVAEIGKDH-NXEZZACHSA-N 0 0 177.203 1.495 10 0 ADAERN Nc1ccsc1CN1CCOCC1 74237311 573905766 /nfs/dbraw/zinc/90/57/66/573905766.db2.gz GAOPDUKJQDNFTF-UHFFFAOYSA-N 0 0 198.291 1.163 10 0 ADAERN CCC(=O)C1(CC)OCCO1 238191330 573905982 /nfs/dbraw/zinc/90/59/82/573905982.db2.gz RJXXAPIYFZCHMJ-UHFFFAOYSA-N 0 0 158.197 1.119 10 0 ADAERN CCc1c[nH]c(C(=O)N(C)C)c1C 45814744 573905804 /nfs/dbraw/zinc/90/58/04/573905804.db2.gz SQROLLJSUVVEDR-UHFFFAOYSA-N 0 0 180.251 1.587 10 0 ADAERN CC(C)(C)OC(=O)CC/C=C/CO 393569700 573905808 /nfs/dbraw/zinc/90/58/08/573905808.db2.gz UOYMQHAZXJLTIB-GQCTYLIASA-N 0 0 186.251 1.657 10 0 ADAERN CCC(=O)C1(C(=O)NC)CCCCC1 238191215 573905814 /nfs/dbraw/zinc/90/58/14/573905814.db2.gz GCYHPCHPFIQSPS-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN CC(=O)c1c[nH]nc1C1CCOCC1 257904282 573905817 /nfs/dbraw/zinc/90/58/17/573905817.db2.gz ZHCTXEFJBDKVBT-UHFFFAOYSA-N 0 0 194.234 1.506 10 0 ADAERN CN1N[C@@H](c2cccc(F)c2)CC1=O 257896162 573905845 /nfs/dbraw/zinc/90/58/45/573905845.db2.gz YAEXDXWSIXEBEQ-SECBINFHSA-N 0 0 194.209 1.234 10 0 ADAERN Cc1ccc([C@@H](C)NC=O)cc1F 87374732 573905872 /nfs/dbraw/zinc/90/58/72/573905872.db2.gz GQNWSRKBYOYRNW-MRVPVSSYSA-N 0 0 181.210 1.941 10 0 ADAERN CC(=O)[C@@]1([C@H](O)c2ccccc2)CO1 238191052 573905874 /nfs/dbraw/zinc/90/58/74/573905874.db2.gz XTSJQJUDMAYTSL-GHMZBOCLSA-N 0 0 192.214 1.078 10 0 ADAERN OC[C@H]1CCCc2nc(C3CC3)nn21 258451977 573905899 /nfs/dbraw/zinc/90/58/99/573905899.db2.gz PMKDRZAZXMZPLY-MRVPVSSYSA-N 0 0 193.250 1.025 10 0 ADAERN CC1(C(O)C2(C)CC2)CC1 238191399 573905965 /nfs/dbraw/zinc/90/59/65/573905965.db2.gz AMISUNQWQKVFNF-UHFFFAOYSA-N 0 0 140.226 1.948 10 0 ADAERN CC[C@@H](C(=O)OC)c1nccc(C)n1 258998120 573905923 /nfs/dbraw/zinc/90/59/23/573905923.db2.gz CYDQESVYIFZMDS-MRVPVSSYSA-N 0 0 194.234 1.452 10 0 ADAERN CCc1oc(CCC(=O)OC)nc1C 259579898 573905943 /nfs/dbraw/zinc/90/59/43/573905943.db2.gz FCNPYICBIYJFGD-UHFFFAOYSA-N 0 0 197.234 1.651 10 0 ADAERN CCC1(O)CN(Cc2nccs2)C1 87396359 573906032 /nfs/dbraw/zinc/90/60/32/573906032.db2.gz DIQMBIZHLKYSIL-UHFFFAOYSA-N 0 0 198.291 1.100 10 0 ADAERN CCCC(=O)N(C)c1ccc(N)nc1 259000734 573908310 /nfs/dbraw/zinc/90/83/10/573908310.db2.gz CBIOEMTYUDIWQD-UHFFFAOYSA-N 0 0 193.250 1.427 10 0 ADAERN C[C@H](O)C(F)(F)C[C@@H]1CCCO1 257898009 573912255 /nfs/dbraw/zinc/91/22/55/573912255.db2.gz OJROYHAJXSPHPS-BQBZGAKWSA-N 0 0 180.194 1.572 10 0 ADAERN FC(F)Cn1cccc1 84728290 573912713 /nfs/dbraw/zinc/91/27/13/573912713.db2.gz ADIORIRROVAPGG-UHFFFAOYSA-N 0 0 131.125 1.753 10 0 ADAERN OC[C@H]1Cc2cccc(F)c21 258450244 573908291 /nfs/dbraw/zinc/90/82/91/573908291.db2.gz FVXHBPFXNBPHTJ-SSDOTTSWSA-N 0 0 152.168 1.458 10 0 ADAERN CC1(C)SCCSCC1=O 238193861 573907904 /nfs/dbraw/zinc/90/79/04/573907904.db2.gz AAOIXUDWDNZLMM-UHFFFAOYSA-N 0 0 176.306 1.814 10 0 ADAERN CCc1nccn1[C@H](C)CC(=O)OC 41671745 573907690 /nfs/dbraw/zinc/90/76/90/573907690.db2.gz PAEWDNOXBRLBAR-MRVPVSSYSA-N 0 0 196.250 1.570 10 0 ADAERN CC1=C[C@]2(C)CC(=O)[C@H]2C1 238185234 573916115 /nfs/dbraw/zinc/91/61/15/573916115.db2.gz VCBGVMJGBLWTMD-VXNVDRBHSA-N 0 0 136.194 1.932 10 0 ADAERN C[C@@H]1CN(C(=O)c2ccccc2)C1=O 45820465 573907767 /nfs/dbraw/zinc/90/77/67/573907767.db2.gz SEWVDVCSLXYNLY-MRVPVSSYSA-N 0 0 189.214 1.305 10 0 ADAERN COc1cc(Br)n(C)c1 76634023 573907779 /nfs/dbraw/zinc/90/77/79/573907779.db2.gz MOUDESKOHPLSSU-UHFFFAOYSA-N 0 0 190.040 1.796 10 0 ADAERN Cc1ccc([C@]2(C)OC[C@H](CO)O2)o1 258450001 573907781 /nfs/dbraw/zinc/90/77/81/573907781.db2.gz DBDVMRQSKZDGPI-WCBMZHEXSA-N 0 0 198.218 1.168 10 0 ADAERN CC(C)C(=O)NC(=O)C(C)(C)C 238193578 573907784 /nfs/dbraw/zinc/90/77/84/573907784.db2.gz STXLGWKRYHYVAA-UHFFFAOYSA-N 0 0 171.240 1.331 10 0 ADAERN CC(C)Cn1c(N)cccc1=O 258451899 573907786 /nfs/dbraw/zinc/90/77/86/573907786.db2.gz GDMPJLSXLOTWNF-UHFFFAOYSA-N 0 0 166.224 1.087 10 0 ADAERN CC[C@@H]1C=C(C(=O)[O-])CC[N@@H+]1C 258521282 573907802 /nfs/dbraw/zinc/90/78/02/573907802.db2.gz MHUYBXFJRMYAIQ-MRVPVSSYSA-N 0 0 169.224 1.112 10 0 ADAERN CC(=O)C(C)(C)NC(=O)C(C)C 238193917 573907810 /nfs/dbraw/zinc/90/78/10/573907810.db2.gz CZFZQGLBDLSVBQ-UHFFFAOYSA-N 0 0 171.240 1.126 10 0 ADAERN OC[C@@H](O)/C=C\c1ccccc1F 393570160 573907824 /nfs/dbraw/zinc/90/78/24/573907824.db2.gz VRRUOHRBJYWZEP-UDIARPCQSA-N 0 0 182.194 1.192 10 0 ADAERN CCOCCC[C@H](O)C(F)(F)F 78709492 573908301 /nfs/dbraw/zinc/90/83/01/573908301.db2.gz AIXJZRJZOZKLOY-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN Cc1ccc([C@]2(C)OC[C@@H](CO)O2)o1 258449997 573907860 /nfs/dbraw/zinc/90/78/60/573907860.db2.gz DBDVMRQSKZDGPI-PSASIEDQSA-N 0 0 198.218 1.168 10 0 ADAERN CC1(C)C(=O)Nc2c(N)cc(N)cc21 238193983 573907864 /nfs/dbraw/zinc/90/78/64/573907864.db2.gz PCTIDAHPVORJII-UHFFFAOYSA-N 0 0 191.234 1.081 10 0 ADAERN CC1(C)CCC(=O)[C@@H](CO)C1 238194251 573907868 /nfs/dbraw/zinc/90/78/68/573907868.db2.gz TZGXXYGTHQKIDH-SSDOTTSWSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1cccc2c1[C@H](CON)CN2C 257896960 573907877 /nfs/dbraw/zinc/90/78/77/573907877.db2.gz AFRHVPKCDWFMDY-VIFPVBQESA-N 0 0 192.262 1.419 10 0 ADAERN Cc1cc(=O)c2c(O)cc(O)cc2[nH]1 238194963 573907942 /nfs/dbraw/zinc/90/79/42/573907942.db2.gz UPTRVCPVNLAUBF-UHFFFAOYSA-N 0 0 191.186 1.777 10 0 ADAERN C[C@@H](O)c1ccnc(N(C)C)c1 87414398 573907945 /nfs/dbraw/zinc/90/79/45/573907945.db2.gz DGPVNIGSOGMZDW-SSDOTTSWSA-N 0 0 166.224 1.201 10 0 ADAERN CC1=C(C)C([NH3+])(C(=O)[O-])C(C)=C1C 238195458 573907955 /nfs/dbraw/zinc/90/79/55/573907955.db2.gz HGZMICXLTWJFLQ-UHFFFAOYSA-N 0 0 181.235 1.455 10 0 ADAERN CCn1ncc(OC)c1C(C)=O 123048206 573907974 /nfs/dbraw/zinc/90/79/74/573907974.db2.gz AJGDGXTYBQVKKZ-UHFFFAOYSA-N 0 0 168.196 1.114 10 0 ADAERN C[C@@H](O)c1ccnc(N2CCCC2)c1 87414358 573907983 /nfs/dbraw/zinc/90/79/83/573907983.db2.gz IODXDNWFUXVTAH-SECBINFHSA-N 0 0 192.262 1.735 10 0 ADAERN O=Cc1ccc2c(c1)NC(=O)CCN2 76634143 573907989 /nfs/dbraw/zinc/90/79/89/573907989.db2.gz NTVSDNJCWDYXAT-UHFFFAOYSA-N 0 0 190.202 1.253 10 0 ADAERN O=Cc1cnn(-c2cccc(O)c2)c1 257896973 573908002 /nfs/dbraw/zinc/90/80/02/573908002.db2.gz YCWVSMYZMGRJRQ-UHFFFAOYSA-N 0 0 188.186 1.390 10 0 ADAERN CCNc1ccc(OCC)nc1 87399126 573908006 /nfs/dbraw/zinc/90/80/06/573908006.db2.gz FOOHOTRBWPZREO-UHFFFAOYSA-N 0 0 166.224 1.912 10 0 ADAERN CC1=C(C)C(C)(C)NC1=O 238195052 573908020 /nfs/dbraw/zinc/90/80/20/573908020.db2.gz SDRIOAZMUYPDPE-UHFFFAOYSA-N 0 0 139.198 1.231 10 0 ADAERN CSc1cc([C@H](C)O)ccn1 87414665 573908110 /nfs/dbraw/zinc/90/81/10/573908110.db2.gz VKIJUISMPDJYOU-LURJTMIESA-N 0 0 169.249 1.857 10 0 ADAERN CC1=N[C@H]2CC(=O)C[C@H]2S1 238193860 573908129 /nfs/dbraw/zinc/90/81/29/573908129.db2.gz NSQSCYIEWSLZMV-NKWVEPMBSA-N 0 0 155.222 1.252 10 0 ADAERN CC1(C)O[C@H](CCO)C2(CC2)O1 238194337 573908133 /nfs/dbraw/zinc/90/81/33/573908133.db2.gz XNXJKZUFVXQPKU-SSDOTTSWSA-N 0 0 172.224 1.053 10 0 ADAERN Cc1cnc(N[C@@H]2CCSC2)o1 76628973 573908140 /nfs/dbraw/zinc/90/81/40/573908140.db2.gz SPYCKZHCSXTVIL-SSDOTTSWSA-N 0 0 184.264 1.900 10 0 ADAERN CCC(=O)N1C(=O)SCC1(C)C 45820493 573908152 /nfs/dbraw/zinc/90/81/52/573908152.db2.gz GKFJXEAXKWCPOK-UHFFFAOYSA-N 0 0 187.264 1.870 10 0 ADAERN CC(=O)c1noc([C@@H]2CCCO2)n1 258179010 573908274 /nfs/dbraw/zinc/90/82/74/573908274.db2.gz XZGDAYHLNLPJKM-LURJTMIESA-N 0 0 182.179 1.124 10 0 ADAERN Cc1ccc2c(c1)CC[C@H](C(N)=O)N2 257896987 573908164 /nfs/dbraw/zinc/90/81/64/573908164.db2.gz YDISOQPAYYOQAQ-SNVBAGLBSA-N 0 0 190.246 1.207 10 0 ADAERN Cc1ccsc1[C@@H](O)C(C)(C)O 235794827 573908173 /nfs/dbraw/zinc/90/81/73/573908173.db2.gz JVSGTVUPDBJBIA-MRVPVSSYSA-N 0 0 186.276 1.861 10 0 ADAERN COC(=O)[C@H](N)c1sc(C)cc1C 642822137 573908198 /nfs/dbraw/zinc/90/81/98/573908198.db2.gz QINJZWVRBLFTEI-SSDOTTSWSA-N 0 0 198.267 1.214 10 0 ADAERN CN[C@@H](OC)c1ccc(C)o1 259232575 573908204 /nfs/dbraw/zinc/90/82/04/573908204.db2.gz MSVIVDPEQONVGF-QMMMGPOBSA-N 0 0 155.197 1.452 10 0 ADAERN CC(C)(O)c1cc(F)ccn1 238193515 573908230 /nfs/dbraw/zinc/90/82/30/573908230.db2.gz QSFQZAMLCSHBSP-UHFFFAOYSA-N 0 0 155.172 1.448 10 0 ADAERN CC1=Nc2ccccc2CC(=O)N1 238195279 573908253 /nfs/dbraw/zinc/90/82/53/573908253.db2.gz POTXLNLDXJBLIT-UHFFFAOYSA-N 0 0 174.203 1.409 10 0 ADAERN CC(C)[C@](C[NH3+])(C(=O)[O-])C(C)(C)F 257896883 573908260 /nfs/dbraw/zinc/90/82/60/573908260.db2.gz YBGJNQHIPLYKCS-SECBINFHSA-N 0 0 191.246 1.420 10 0 ADAERN O[C@H]1CC[C@@H](OCCC(F)(F)F)C1 131700454 573909654 /nfs/dbraw/zinc/90/96/54/573909654.db2.gz JPSCDZMVLPILPQ-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN Cc1oc(C=O)nc1C(C)C 258453444 573909808 /nfs/dbraw/zinc/90/98/08/573909808.db2.gz GIMWWNXKQBZKHG-UHFFFAOYSA-N 0 0 153.181 1.919 10 0 ADAERN COC[C@H]1CNc2ccccc2O1 80771543 573909811 /nfs/dbraw/zinc/90/98/11/573909811.db2.gz XUWBSBXLUDJGEX-MRVPVSSYSA-N 0 0 179.219 1.506 10 0 ADAERN OC[C@H]1CCc2cc(O)ccc21 258453314 573909817 /nfs/dbraw/zinc/90/98/17/573909817.db2.gz GEPZYAAROCNVAG-MRVPVSSYSA-N 0 0 164.204 1.414 10 0 ADAERN C[C@@H](O)c1nc(C2CCCC2)no1 84672608 573909823 /nfs/dbraw/zinc/90/98/23/573909823.db2.gz RAFWZDBWTICCDP-ZCFIWIBFSA-N 0 0 182.223 1.781 10 0 ADAERN COc1cccc2c1[C@@H](CO)C2 258521319 573909868 /nfs/dbraw/zinc/90/98/68/573909868.db2.gz MIXKNNWLSYBMMF-MRVPVSSYSA-N 0 0 164.204 1.327 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccc[nH]1 306788773 573909837 /nfs/dbraw/zinc/90/98/37/573909837.db2.gz OVTZTDKHQIMSRW-CBAPKCEASA-N 0 0 178.235 1.082 10 0 ADAERN CCn1nc(C=O)cc1C(F)(F)F 257896955 573909300 /nfs/dbraw/zinc/90/93/00/573909300.db2.gz YCKDGLXWYNOHNC-UHFFFAOYSA-N 0 0 192.140 1.734 10 0 ADAERN OCCc1nc(C2CCCC2)no1 258178992 573909301 /nfs/dbraw/zinc/90/93/01/573909301.db2.gz XYTPTLYVAXJKFK-UHFFFAOYSA-N 0 0 182.223 1.262 10 0 ADAERN CC1(C)CCC(=O)[C@@]2(C)O[C@@]12C 238194628 573909305 /nfs/dbraw/zinc/90/93/05/573909305.db2.gz QNELWSBVOQLBAA-ZJUUUORDSA-N 0 0 168.236 1.923 10 0 ADAERN COC(=O)[C@@H](ON)c1ccc(C)cc1 257896912 573909306 /nfs/dbraw/zinc/90/93/06/573909306.db2.gz YBMKAWUGPRDRSW-VIFPVBQESA-N 0 0 195.218 1.099 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](Cc1ccco1)NN 253005229 573909307 /nfs/dbraw/zinc/90/93/07/573909307.db2.gz MHQGTVSSEDELAX-QNSHHTMESA-N 0 0 180.251 1.310 10 0 ADAERN O=C1COCc2[nH]c3cccnc3c21 76632854 573909308 /nfs/dbraw/zinc/90/93/08/573909308.db2.gz ZQAIXOBFRWBUQO-UHFFFAOYSA-N 0 0 188.186 1.276 10 0 ADAERN CN[C@H](OC)c1ccc(C)o1 259232570 573909317 /nfs/dbraw/zinc/90/93/17/573909317.db2.gz MSVIVDPEQONVGF-MRVPVSSYSA-N 0 0 155.197 1.452 10 0 ADAERN Cc1ccc2c(c1)CC[C@@H](C(N)=O)N2 257896983 573909866 /nfs/dbraw/zinc/90/98/66/573909866.db2.gz YDISOQPAYYOQAQ-JTQLQIEISA-N 0 0 190.246 1.207 10 0 ADAERN CC[C@H](CO)Cc1nccs1 87398499 573910726 /nfs/dbraw/zinc/91/07/26/573910726.db2.gz FHMPUAFRFDESQM-ZETCQYMHSA-N 0 0 171.265 1.704 10 0 ADAERN OC1CC(CC(F)F)C1 258453359 573909344 /nfs/dbraw/zinc/90/93/44/573909344.db2.gz GGBBBDCCAQZLTI-UHFFFAOYSA-N 0 0 136.141 1.413 10 0 ADAERN C[C@H]1C[C@]1(CO)C1CCC1 259000040 573909348 /nfs/dbraw/zinc/90/93/48/573909348.db2.gz MTFVIXSQJQAVKE-IONNQARKSA-N 0 0 140.226 1.805 10 0 ADAERN CC(C)OCSCCO 238195609 573909376 /nfs/dbraw/zinc/90/93/76/573909376.db2.gz SFIYMVATWSGBMQ-UHFFFAOYSA-N 0 0 150.243 1.094 10 0 ADAERN O[C@@H]1C=CCC=CC1 80772983 573909388 /nfs/dbraw/zinc/90/93/88/573909388.db2.gz DNDMZQQZNZFHQD-ZETCQYMHSA-N 0 0 110.156 1.254 10 0 ADAERN Cc1cccc([C@@H]2CCNO2)c1 258454897 573909406 /nfs/dbraw/zinc/90/94/06/573909406.db2.gz GJKOTMMZLJXDTK-JTQLQIEISA-N 0 0 163.220 1.961 10 0 ADAERN CC1(C)C(=O)Nc2c(O)cc(O)cc21 238194016 573909407 /nfs/dbraw/zinc/90/94/07/573909407.db2.gz MQSSVQNVUVPIBN-UHFFFAOYSA-N 0 0 193.202 1.328 10 0 ADAERN CC(C)N(C)c1cc([C@@H](C)O)ccn1 87414387 573909416 /nfs/dbraw/zinc/90/94/16/573909416.db2.gz KOTIOYLQURPQKO-SECBINFHSA-N 0 0 194.278 1.980 10 0 ADAERN COc1ccc(OC)c(SC=O)c1 259233052 573909420 /nfs/dbraw/zinc/90/94/20/573909420.db2.gz NFSNYKPPLCCBEH-UHFFFAOYSA-N 0 0 198.243 1.986 10 0 ADAERN COc1ccc2c(c1)OC(=O)[C@@H](C)N2 259232248 573909486 /nfs/dbraw/zinc/90/94/86/573909486.db2.gz MNHUVTRDJTYLEW-ZCFIWIBFSA-N 0 0 193.202 1.415 10 0 ADAERN COc1cc(C)c(F)c(CCON)c1 258179854 573909794 /nfs/dbraw/zinc/90/97/94/573909794.db2.gz QTMOQRVUPNORMD-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN COC[C@@H]1CCC[C@H]1CCO 258453397 573909502 /nfs/dbraw/zinc/90/95/02/573909502.db2.gz GHHQUPZTUHPUOP-IUCAKERBSA-N 0 0 158.241 1.432 10 0 ADAERN COc1c(C(C)(C)O)ccc(C)c1O 258179298 573909525 /nfs/dbraw/zinc/90/95/25/573909525.db2.gz WNWSOZWRHNNKKO-UHFFFAOYSA-N 0 0 196.246 1.937 10 0 ADAERN C[C@H]1CC[N@H+](C)CC[C@@H]1CC(=O)[O-] 76630569 573909531 /nfs/dbraw/zinc/90/95/31/573909531.db2.gz ODLPITVNLGQHFU-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H](F)c1cc(CCO)ccc1O 258179018 573909542 /nfs/dbraw/zinc/90/95/42/573909542.db2.gz WKCAHCCVNCQTCP-ZETCQYMHSA-N 0 0 184.210 1.958 10 0 ADAERN CCC(C)(C)CNc1nnns1 259232441 573909543 /nfs/dbraw/zinc/90/95/43/573909543.db2.gz YARFRLVAGREEON-UHFFFAOYSA-N 0 0 186.284 1.781 10 0 ADAERN OCCN(CC(F)F)CC1(F)CC1 393570439 573909545 /nfs/dbraw/zinc/90/95/45/573909545.db2.gz WMWDJYSJKWBTAS-UHFFFAOYSA-N 0 0 197.200 1.048 10 0 ADAERN COC(=O)[C@H]1[C@H](OC)C12CCCC2 259580061 573909552 /nfs/dbraw/zinc/90/95/52/573909552.db2.gz KCANQDRMCVBWCG-SFYZADRCSA-N 0 0 184.235 1.365 10 0 ADAERN C[C@@H](O)CCc1ccc(CO)o1 238381967 573909555 /nfs/dbraw/zinc/90/95/55/573909555.db2.gz FFJRVZXTOMSKPJ-SSDOTTSWSA-N 0 0 170.208 1.085 10 0 ADAERN CSc1cc([C@@H](C)O)ccn1 87414666 573909568 /nfs/dbraw/zinc/90/95/68/573909568.db2.gz VKIJUISMPDJYOU-ZCFIWIBFSA-N 0 0 169.249 1.857 10 0 ADAERN O[C@@H](C1CCCCC1)[C@@H]1CCOC1 84686810 573909584 /nfs/dbraw/zinc/90/95/84/573909584.db2.gz YZXSLGZXFMNBDO-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)n1oc(=O)c2cc(N)ccc21 257896952 573909587 /nfs/dbraw/zinc/90/95/87/573909587.db2.gz YCFPODBWQJXRSW-UHFFFAOYSA-N 0 0 192.218 1.758 10 0 ADAERN COC(=O)C[C@@H](CO)C1CCCC1 257896842 573909597 /nfs/dbraw/zinc/90/95/97/573909597.db2.gz OJAYFDCIJIAURR-VIFPVBQESA-N 0 0 186.251 1.348 10 0 ADAERN CCC(=O)C=C(O)[Si](C)(C)C 238194386 573909605 /nfs/dbraw/zinc/90/96/05/573909605.db2.gz FFXPLPQTIABXGE-UHFFFAOYSA-N 0 0 172.300 1.802 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)[C@@H]1CCOC1 84686677 573909625 /nfs/dbraw/zinc/90/96/25/573909625.db2.gz CXQQZQZDGUKVEG-GMTAPVOTSA-N 0 0 184.279 1.964 10 0 ADAERN CC(=O)c1ccnc(N(C)C2CC2)c1 87400463 573909649 /nfs/dbraw/zinc/90/96/49/573909649.db2.gz JQJLTGQWKHZSIL-UHFFFAOYSA-N 0 0 190.246 1.883 10 0 ADAERN O=C1COCc2[nH]c3cnccc3c21 76632850 573909675 /nfs/dbraw/zinc/90/96/75/573909675.db2.gz AIKWICQGRCPUGC-UHFFFAOYSA-N 0 0 188.186 1.276 10 0 ADAERN CN1CCCC[C@@H]1c1cc(C=O)no1 259232541 573909677 /nfs/dbraw/zinc/90/96/77/573909677.db2.gz MPLJBXNBNJTQIP-SECBINFHSA-N 0 0 194.234 1.644 10 0 ADAERN CC1(C)C(=O)Nc2cc(C=O)cnc21 238194151 573909798 /nfs/dbraw/zinc/90/97/98/573909798.db2.gz PZEPFAPKZGBTQA-UHFFFAOYSA-N 0 0 190.202 1.124 10 0 ADAERN CC[C@H](C)[C@@H](NN)[C@]1(C)CCCO1 253005934 573909722 /nfs/dbraw/zinc/90/97/22/573909722.db2.gz MSIPKKUCWFODDC-AEJSXWLSSA-N 0 0 186.299 1.434 10 0 ADAERN C[C@H](OCCC(F)(F)F)[C@@H](C)O 131695465 573909752 /nfs/dbraw/zinc/90/97/52/573909752.db2.gz YHKBRUYOHIXPJX-RITPCOANSA-N 0 0 186.173 1.725 10 0 ADAERN COC(=O)c1cc2cnsc2n1C 259228894 573909754 /nfs/dbraw/zinc/90/97/54/573909754.db2.gz 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/nfs/dbraw/zinc/90/98/59/573909859.db2.gz DYWUWNQQMUFSGU-ZETCQYMHSA-N 0 0 184.264 1.652 10 0 ADAERN C[N@H+](Cc1cc(N)no1)CC(C)(C)C 259233238 573910694 /nfs/dbraw/zinc/91/06/94/573910694.db2.gz NHXHFGRZVXJZIT-UHFFFAOYSA-N 0 0 197.282 1.735 10 0 ADAERN CC(C)CCN(C)C=O 80814865 573910708 /nfs/dbraw/zinc/91/07/08/573910708.db2.gz HFPVMUFTRPSLEY-UHFFFAOYSA-N 0 0 129.203 1.121 10 0 ADAERN CCOC(=O)N1CCCC(=O)C1(C)C 259000595 573910664 /nfs/dbraw/zinc/91/06/64/573910664.db2.gz BYLUNHLLEJARID-UHFFFAOYSA-N 0 0 199.250 1.586 10 0 ADAERN CC(=O)[C@H](F)C[C@@H]1CCCOC1 257896851 573910666 /nfs/dbraw/zinc/91/06/66/573910666.db2.gz OJEFLSAFLRCVMU-DTWKUNHWSA-N 0 0 174.215 1.730 10 0 ADAERN CCO[C@H](C)c1nc(C)cc(N)n1 80744643 573910677 /nfs/dbraw/zinc/91/06/77/573910677.db2.gz SLLWGWCZAJWVBJ-SSDOTTSWSA-N 0 0 181.239 1.465 10 0 ADAERN Cc1cc(-c2cc(N)cn2C)ccn1 76632462 573910689 /nfs/dbraw/zinc/91/06/89/573910689.db2.gz DNEPLVOCQLEVKX-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1cnccc1-c1ncc[nH]c1=O 235793591 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Cc1nc(-c2cc[nH]c2)c[nH]1 259001742 573912139 /nfs/dbraw/zinc/91/21/39/573912139.db2.gz CBDYDFROQGQPFJ-UHFFFAOYSA-N 0 0 147.181 1.713 10 0 ADAERN c1ccn(Cc2cscn2)c1 84728310 573912150 /nfs/dbraw/zinc/91/21/50/573912150.db2.gz FVTDXJATDFCMKH-UHFFFAOYSA-N 0 0 164.233 1.993 10 0 ADAERN COc1cc([C@@H](C)CO)ccc1F 258179043 573912159 /nfs/dbraw/zinc/91/21/59/573912159.db2.gz WKPBPQDIYBHXRE-ZETCQYMHSA-N 0 0 184.210 1.930 10 0 ADAERN OC1(C[C@H]2CCCOC2)CCC1 257923886 573912160 /nfs/dbraw/zinc/91/21/60/573912160.db2.gz GLEZUDPSUXBFQW-SECBINFHSA-N 0 0 170.252 1.718 10 0 ADAERN CC[C@H](CO)C(=O)c1ccncc1 259236755 573912162 /nfs/dbraw/zinc/91/21/62/573912162.db2.gz VLSFUDXWKMOEIA-MRVPVSSYSA-N 0 0 179.219 1.283 10 0 ADAERN Nc1cccc2c1[C@@H](O)CCO2 258455037 573912163 /nfs/dbraw/zinc/91/21/63/573912163.db2.gz GMKUZBNQYWUPPY-ZETCQYMHSA-N 0 0 165.192 1.085 10 0 ADAERN CCc1[nH]c(=O)sc1CC 258454895 573912759 /nfs/dbraw/zinc/91/27/59/573912759.db2.gz GJIOIPQLEDASKA-UHFFFAOYSA-N 0 0 157.238 1.974 10 0 ADAERN OCc1ncoc1C[C@H]1CCCCO1 87420222 573912760 /nfs/dbraw/zinc/91/27/60/573912760.db2.gz YYRATWRWYDUCMQ-MRVPVSSYSA-N 0 0 197.234 1.279 10 0 ADAERN Cc1ccc([C@@H]2CCON2)cc1 258451594 573912180 /nfs/dbraw/zinc/91/21/80/573912180.db2.gz FYXXPFUAWLJILO-JTQLQIEISA-N 0 0 163.220 1.961 10 0 ADAERN C[C@](F)(C[C@H]1CCC[NH2+]C1)C(=O)[O-] 257898173 573912183 /nfs/dbraw/zinc/91/21/83/573912183.db2.gz YHMCZZAOZNEARG-APPZFPTMSA-N 0 0 189.230 1.189 10 0 ADAERN CC(=O)[C@@]1(C)SCC[C@H](O)S1 238183998 573912208 /nfs/dbraw/zinc/91/22/08/573912208.db2.gz QRTXQQRUOYOWCR-RQJHMYQMSA-N 0 0 192.305 1.480 10 0 ADAERN CC1(C)C=CC[C@](C)(O)C(=O)C1 238182915 573912236 /nfs/dbraw/zinc/91/22/36/573912236.db2.gz JRBGEUAEDHPXNF-JTQLQIEISA-N 0 0 168.236 1.683 10 0 ADAERN CCN1C(=O)Cc2c(OC)cccc21 258179763 573912237 /nfs/dbraw/zinc/91/22/37/573912237.db2.gz SOIZJJMVCOALTJ-UHFFFAOYSA-N 0 0 191.230 1.604 10 0 ADAERN Oc1c(F)cccc1CC1(O)CC1 258179258 573912257 /nfs/dbraw/zinc/91/22/57/573912257.db2.gz WNFHTQKZCQKLAY-UHFFFAOYSA-N 0 0 182.194 1.599 10 0 ADAERN C[C@@H]1[C@@H](CO)CC(=O)N1C1CCCC1 259237047 573912281 /nfs/dbraw/zinc/91/22/81/573912281.db2.gz DRTPSDSDUQGFQK-RKDXNWHRSA-N 0 0 197.278 1.158 10 0 ADAERN Cc1n[nH]c(C[C@H]2CCCCO2)n1 87419791 573912291 /nfs/dbraw/zinc/91/22/91/573912291.db2.gz GVGBHHMROUFUFC-MRVPVSSYSA-N 0 0 181.239 1.225 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H](C)[C@@H]1C 238183968 573912307 /nfs/dbraw/zinc/91/23/07/573912307.db2.gz IKGCVCPTWANEKT-FXQIFTODSA-N 0 0 155.241 1.413 10 0 ADAERN CC(C)=CC[C@H](CO)[C@H](C)O 80775984 573912310 /nfs/dbraw/zinc/91/23/10/573912310.db2.gz FVDOZPZAGYXWRS-DTWKUNHWSA-N 0 0 158.241 1.332 10 0 ADAERN CC(=O)O[C@@H]1CC(C)(C)C=C(C)[C@H]1O 238183010 573912313 /nfs/dbraw/zinc/91/23/13/573912313.db2.gz LVHRAJTXHOSEFL-NXEZZACHSA-N 0 0 198.262 1.655 10 0 ADAERN CCn1ncc2c(N)ccnc21 80736402 573912317 /nfs/dbraw/zinc/91/23/17/573912317.db2.gz VIDXXIPNQYKUBU-UHFFFAOYSA-N 0 0 162.196 1.033 10 0 ADAERN CCc1n[nH]c(C[C@H]2CCCCO2)n1 87419793 573912326 /nfs/dbraw/zinc/91/23/26/573912326.db2.gz QKJFOTIXMQOSAI-MRVPVSSYSA-N 0 0 195.266 1.479 10 0 ADAERN CSC[C@@H](C)[NH2+]CCCC(=O)[O-] 127557007 573912330 /nfs/dbraw/zinc/91/23/30/573912330.db2.gz PPWMWWOXOSQFFY-SSDOTTSWSA-N 0 0 191.296 1.192 10 0 ADAERN O=Cc1ccccc1N1OCCC1=O 257898145 573912338 /nfs/dbraw/zinc/91/23/38/573912338.db2.gz YGTJIFJREHHXOI-UHFFFAOYSA-N 0 0 191.186 1.167 10 0 ADAERN CC1(C)OC[C@H]([C@@H](O)c2ccc[nH]2)O1 238183629 573912343 /nfs/dbraw/zinc/91/23/43/573912343.db2.gz LMPMZCRRXBTATP-BDAKNGLRSA-N 0 0 197.234 1.200 10 0 ADAERN C[C@]1(CO)CCCCS1 258453308 573912344 /nfs/dbraw/zinc/91/23/44/573912344.db2.gz GEMSPGRWURKCNZ-SSDOTTSWSA-N 0 0 146.255 1.655 10 0 ADAERN Cc1[nH]nc(NC(=O)C2CCC2)c1N 87419309 573912599 /nfs/dbraw/zinc/91/25/99/573912599.db2.gz PLGBNVIBWSRUFI-UHFFFAOYSA-N 0 0 194.238 1.039 10 0 ADAERN CC1(C)O[C@@H]1C1=NO[C@](C)(CCO)C1 238183802 573912352 /nfs/dbraw/zinc/91/23/52/573912352.db2.gz HWBAUWZUUQCSGP-PSASIEDQSA-N 0 0 199.250 1.081 10 0 ADAERN C/C(=C\[C@H]1CCCOC1)[N+](=O)[O-] 84718504 573912354 /nfs/dbraw/zinc/91/23/54/573912354.db2.gz ORQNBGXAWSWRPV-WVXIBAHESA-N 0 0 171.196 1.594 10 0 ADAERN CCOCCCc1ocnc1CO 87439507 573912356 /nfs/dbraw/zinc/91/23/56/573912356.db2.gz IRPUFBHCNDYLRO-UHFFFAOYSA-N 0 0 185.223 1.136 10 0 ADAERN CC(C)CCC(=O)[C@H](C)O 80727523 573912363 /nfs/dbraw/zinc/91/23/63/573912363.db2.gz RRFIDLDBZJMLAN-ZETCQYMHSA-N 0 0 144.214 1.373 10 0 ADAERN CCC(=O)[C@@H](C)c1nc(C)no1 84685800 573912373 /nfs/dbraw/zinc/91/23/73/573912373.db2.gz ZHJYGEGOKDOIFL-RXMQYKEDSA-N 0 0 168.196 1.461 10 0 ADAERN C[C@@]1(CO)CCCCS1 258453311 573912766 /nfs/dbraw/zinc/91/27/66/573912766.db2.gz GEMSPGRWURKCNZ-ZETCQYMHSA-N 0 0 146.255 1.655 10 0 ADAERN CC(C)(O)Oc1cccc(C=O)c1 238182644 573912380 /nfs/dbraw/zinc/91/23/80/573912380.db2.gz SFAPJRMDTYIPAO-UHFFFAOYSA-N 0 0 180.203 1.606 10 0 ADAERN CC(=O)[C@@]1(C)SCC[C@@H](O)S1 238183976 573912399 /nfs/dbraw/zinc/91/23/99/573912399.db2.gz QRTXQQRUOYOWCR-BQBZGAKWSA-N 0 0 192.305 1.480 10 0 ADAERN Nc1cccc2oc(CCCO)nc12 87439688 573912402 /nfs/dbraw/zinc/91/24/02/573912402.db2.gz QHIVUYVTIHNFGA-UHFFFAOYSA-N 0 0 192.218 1.335 10 0 ADAERN CC1(C)Nc2cc(F)ccc2NC1=O 76636000 573912404 /nfs/dbraw/zinc/91/24/04/573912404.db2.gz HAMVYXAIUJRTER-UHFFFAOYSA-N 0 0 194.209 1.968 10 0 ADAERN CC(=O)c1ncc2c(n1)CCCC2 257898102 573912411 /nfs/dbraw/zinc/91/24/11/573912411.db2.gz OMSWDULUTVVHNI-UHFFFAOYSA-N 0 0 176.219 1.558 10 0 ADAERN C1CCN(NC2CCCC2)CC1 80779666 573912436 /nfs/dbraw/zinc/91/24/36/573912436.db2.gz OPVIDWSSFMPOFM-UHFFFAOYSA-N 0 0 168.284 1.920 10 0 ADAERN C[C@H]1Nc2cc(F)c(N)cc2NC1=O 76636315 573912445 /nfs/dbraw/zinc/91/24/45/573912445.db2.gz LAAJBHZKDXMZGR-SCSAIBSYSA-N 0 0 195.197 1.160 10 0 ADAERN CC(C)[C@@H]1CC[C@]2(C)OC(N)=N[C@@H]2C1 238183409 573912459 /nfs/dbraw/zinc/91/24/59/573912459.db2.gz HQWRAYLBPOTMOH-KKZNHRDASA-N 0 0 196.294 1.915 10 0 ADAERN C[C@H](CO)n1ccc(C(F)(F)F)n1 76635980 573912466 /nfs/dbraw/zinc/91/24/66/573912466.db2.gz ITWQRHRVZRCKGB-RXMQYKEDSA-N 0 0 194.156 1.455 10 0 ADAERN CC(C)(C)[C@](C)(O)C(F)(F)CN 257898137 573912480 /nfs/dbraw/zinc/91/24/80/573912480.db2.gz ONLOAOOYNXQKQA-ZETCQYMHSA-N 0 0 181.226 1.378 10 0 ADAERN O=C(Cc1cccnn1)c1ccncc1 259002914 573912509 /nfs/dbraw/zinc/91/25/09/573912509.db2.gz BNMRHUAWHSHHJT-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN CC[C@@H](C)C(=O)Nc1n[nH]c(C)c1N 87419326 573912539 /nfs/dbraw/zinc/91/25/39/573912539.db2.gz VIJMWCKOCWKELC-RXMQYKEDSA-N 0 0 196.254 1.285 10 0 ADAERN CC(C)[S@](=O)CCCCCO 78709132 573912547 /nfs/dbraw/zinc/91/25/47/573912547.db2.gz BVEHJZKAGMDLBU-NSHDSACASA-N 0 0 178.297 1.306 10 0 ADAERN C[C@@H](O)Cc1cc(C2CC2)no1 642823449 573912557 /nfs/dbraw/zinc/91/25/57/573912557.db2.gz OJSGXLMKZGLLKZ-ZCFIWIBFSA-N 0 0 167.208 1.069 10 0 ADAERN COc1cc(OC)c(CCO)cc1C 258179035 573912563 /nfs/dbraw/zinc/91/25/63/573912563.db2.gz WKLWEJSAQRYLIC-UHFFFAOYSA-N 0 0 196.246 1.547 10 0 ADAERN CC1=C[C@H]([C@H](O)c2ccoc2)OC1=O 238182538 573912587 /nfs/dbraw/zinc/91/25/87/573912587.db2.gz GUPDPOCEOZWWPL-RKDXNWHRSA-N 0 0 194.186 1.185 10 0 ADAERN O[C@H](C1CCCCC1)[C@H]1CCOC1 84686817 573912601 /nfs/dbraw/zinc/91/26/01/573912601.db2.gz YZXSLGZXFMNBDO-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN O=C1CCOc2cc(F)cc(F)c2N1 87439589 573912605 /nfs/dbraw/zinc/91/26/05/573912605.db2.gz IBKLQYFVTVUMLF-UHFFFAOYSA-N 0 0 199.156 1.686 10 0 ADAERN CCOCCCC1(O)CC1 87438554 573912607 /nfs/dbraw/zinc/91/26/07/573912607.db2.gz AERYVCHHCAIAKK-UHFFFAOYSA-N 0 0 144.214 1.328 10 0 ADAERN COCCN(C)C(=O)C(F)=C(C)C 308462626 573912626 /nfs/dbraw/zinc/91/26/26/573912626.db2.gz IAUZBRLKVRFJMQ-UHFFFAOYSA-N 0 0 189.230 1.355 10 0 ADAERN CCC[C@H]1C[C@@]1(O)CCCOC 87438617 573912635 /nfs/dbraw/zinc/91/26/35/573912635.db2.gz YADQUYMTFDRYRW-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)=CC[C@H](CO)[C@@H](C)O 80775985 573912638 /nfs/dbraw/zinc/91/26/38/573912638.db2.gz FVDOZPZAGYXWRS-RKDXNWHRSA-N 0 0 158.241 1.332 10 0 ADAERN OC1(c2cccc3c2OCOC3)CC1 258179030 573912645 /nfs/dbraw/zinc/91/26/45/573912645.db2.gz WKEXUBMRCMKUIA-UHFFFAOYSA-N 0 0 192.214 1.535 10 0 ADAERN C[C@@H]1C[C@@]1(O)C[C@@H]1CCCCO1 87420086 573912648 /nfs/dbraw/zinc/91/26/48/573912648.db2.gz RQKKMOXDFJZSQC-KXUCPTDWSA-N 0 0 170.252 1.717 10 0 ADAERN COc1cc([C@H](C)CO)ccc1F 258179041 573912657 /nfs/dbraw/zinc/91/26/57/573912657.db2.gz WKPBPQDIYBHXRE-SSDOTTSWSA-N 0 0 184.210 1.930 10 0 ADAERN O=Cc1scc2c1NC(=O)CCN2 76636814 573912658 /nfs/dbraw/zinc/91/26/58/573912658.db2.gz YMIZZOQPULYTIR-UHFFFAOYSA-N 0 0 196.231 1.315 10 0 ADAERN CC1=NC(=O)N[C@@H](c2ccccc2)C1 238182742 573912659 /nfs/dbraw/zinc/91/26/59/573912659.db2.gz HPLFSKPZYHUYQO-SNVBAGLBSA-N 0 0 188.230 1.944 10 0 ADAERN OC1(Cc2ccc3n[nH]cc3c2)CC1 258179201 573912664 /nfs/dbraw/zinc/91/26/64/573912664.db2.gz WMOPOPDAKBPBLP-UHFFFAOYSA-N 0 0 188.230 1.630 10 0 ADAERN CCC[C@H](C)c1nc(N)no1 84711604 573912781 /nfs/dbraw/zinc/91/27/81/573912781.db2.gz DBBIRYZRXLIUQK-YFKPBYRVSA-N 0 0 155.201 1.555 10 0 ADAERN CN1C[C@H](c2ccc[nH]2)N(C)C1=O 259580643 573912782 /nfs/dbraw/zinc/91/27/82/573912782.db2.gz VQUBZEMXYQMUKZ-MRVPVSSYSA-N 0 0 179.223 1.053 10 0 ADAERN O=C1C[C@H](CO)[C@H](c2ccccc2)O1 80865672 573915950 /nfs/dbraw/zinc/91/59/50/573915950.db2.gz KYONCAPZRGCEGK-KOLCDFICSA-N 0 0 192.214 1.283 10 0 ADAERN CC1(C)O[C@@H]1COc1ccccc1O 238184208 573916119 /nfs/dbraw/zinc/91/61/19/573916119.db2.gz SXMWEZWWNZYWSI-SNVBAGLBSA-N 0 0 194.230 1.948 10 0 ADAERN C[C@H]1CC(C)(C)C(=O)O[C@H]1CCO 197139435 573916125 /nfs/dbraw/zinc/91/61/25/573916125.db2.gz YGCLZHZIDXKDIE-YUMQZZPRSA-N 0 0 186.251 1.347 10 0 ADAERN COc1ccccc1[C@]1(C)NCCO1 258457022 573916128 /nfs/dbraw/zinc/91/61/28/573916128.db2.gz KKWXJAHJIOKKQL-LLVKDONJSA-N 0 0 193.246 1.488 10 0 ADAERN CC1(CC(N)=O)Oc2ccccc2O1 145067773 573916155 /nfs/dbraw/zinc/91/61/55/573916155.db2.gz UOXPHFUBMVPHNH-UHFFFAOYSA-N 0 0 193.202 1.049 10 0 ADAERN COCNc1cc(F)ccc1OC 259007524 573916157 /nfs/dbraw/zinc/91/61/57/573916157.db2.gz FTGJPFKEGIVXNH-UHFFFAOYSA-N 0 0 185.198 1.850 10 0 ADAERN O=c1[nH]c2ccccc2c2c1COC2 80910867 573916172 /nfs/dbraw/zinc/91/61/72/573916172.db2.gz VVTCWDYGGDGREA-UHFFFAOYSA-N 0 0 187.198 1.558 10 0 ADAERN CC[C@H](C)C(=O)Nc1n[nH]c(C)c1N 87419327 573916187 /nfs/dbraw/zinc/91/61/87/573916187.db2.gz VIJMWCKOCWKELC-YFKPBYRVSA-N 0 0 196.254 1.285 10 0 ADAERN CC(=O)[C@@H]1CCC=NN1C(C)C 238184933 573916192 /nfs/dbraw/zinc/91/61/92/573916192.db2.gz RTYWZEQCQUOIDK-VIFPVBQESA-N 0 0 168.240 1.434 10 0 ADAERN CC(C)(C)c1c[nH]c(C(C)(C)O)n1 259005685 573916194 /nfs/dbraw/zinc/91/61/94/573916194.db2.gz CRERDTBEBFLIQX-UHFFFAOYSA-N 0 0 182.267 1.935 10 0 ADAERN CC(C)n1cccc1[C@@H]1CNC(=O)C1 238185362 573916200 /nfs/dbraw/zinc/91/62/00/573916200.db2.gz XDACFHAYSLHTCX-VIFPVBQESA-N 0 0 192.262 1.673 10 0 ADAERN CC(=O)[C@@]1(F)C[C@H]2C=C[C@@H]1O2 238185006 573916364 /nfs/dbraw/zinc/91/63/64/573916364.db2.gz PROWCTXYYQXCFL-CSMHCCOUSA-N 0 0 156.156 1.011 10 0 ADAERN CC[C@](C)(CO)Nc1nncs1 80882363 573916383 /nfs/dbraw/zinc/91/63/83/573916383.db2.gz JEHNOLVVMWRSRR-SSDOTTSWSA-N 0 0 187.268 1.111 10 0 ADAERN Cc1cc2c(o1)C[NH2+]C[C@@H]2CC(=O)[O-] 76636330 573915647 /nfs/dbraw/zinc/91/56/47/573915647.db2.gz CENDPIDQDCQGRY-ZETCQYMHSA-N 0 0 195.218 1.250 10 0 ADAERN CC1=C[C@]2(C)NC(=O)[C@]2(C)C1 238185464 573915655 /nfs/dbraw/zinc/91/56/55/573915655.db2.gz NPFABTVPCQULJV-IUCAKERBSA-N 0 0 151.209 1.231 10 0 ADAERN CC1(C)CC(=O)[C@H](O)C1(C)C 238185367 573915666 /nfs/dbraw/zinc/91/56/66/573915666.db2.gz RDEXNMKMBXGDMN-ZETCQYMHSA-N 0 0 156.225 1.373 10 0 ADAERN O=C([O-])C1=C(C2CCCC2)CC[NH2+]C1 257898224 573915682 /nfs/dbraw/zinc/91/56/82/573915682.db2.gz YJKIADOLILRZDN-UHFFFAOYSA-N 0 0 195.262 1.551 10 0 ADAERN CC(C)Cc1c[nH]c(CCCO)n1 259005561 573915702 /nfs/dbraw/zinc/91/57/02/573915702.db2.gz CNUMXHKSYLJTMF-UHFFFAOYSA-N 0 0 182.267 1.533 10 0 ADAERN CC1=C[C@]2(C)CC(=O)[C@@H]2C1 238185222 573915707 /nfs/dbraw/zinc/91/57/07/573915707.db2.gz VCBGVMJGBLWTMD-IONNQARKSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@@H]1CCN1C(=O)N[C@H]1CC12CC2 335137727 573915720 /nfs/dbraw/zinc/91/57/20/573915720.db2.gz OWBJYTFIMDGKNL-BDAKNGLRSA-N 0 0 194.278 1.733 10 0 ADAERN CC(C)(O)[C@@H](O)/C=C/c1ccccc1 238184503 573915724 /nfs/dbraw/zinc/91/57/24/573915724.db2.gz OPGXRJNKAJDFMZ-FBOQAHMBSA-N 0 0 192.258 1.832 10 0 ADAERN CC1(C)O[C@@H]1C[C@@H]1CCCC1=O 238184283 573915755 /nfs/dbraw/zinc/91/57/55/573915755.db2.gz ILQIZSLCGNMOEX-IONNQARKSA-N 0 0 168.236 1.923 10 0 ADAERN CC(C)c1ncc(F)cc1N 238184368 573915759 /nfs/dbraw/zinc/91/57/59/573915759.db2.gz PNZXOHSIUYEGIM-UHFFFAOYSA-N 0 0 154.188 1.926 10 0 ADAERN COC(=O)/C=C/c1ccn(C)c1 84817925 573916399 /nfs/dbraw/zinc/91/63/99/573916399.db2.gz GJUQURIUMYOYBN-ONEGZZNKSA-N 0 0 165.192 1.211 10 0 ADAERN CC(C)[C@@H]1c2cc(O)ccc2O[C@@H]1O 238184941 573915773 /nfs/dbraw/zinc/91/57/73/573915773.db2.gz IGGGGTUSTBVUMD-MNOVXSKESA-N 0 0 194.230 1.843 10 0 ADAERN CNC(NC)c1ccccc1OC 259236137 573915786 /nfs/dbraw/zinc/91/57/86/573915786.db2.gz GRHGEYCNZKQHRI-UHFFFAOYSA-N 0 0 180.251 1.133 10 0 ADAERN CCn1ccc(/C=C/C(=O)OC)c1 84817926 573915792 /nfs/dbraw/zinc/91/57/92/573915792.db2.gz HZAAUUYOMRUSCV-SNAWJCMRSA-N 0 0 179.219 1.694 10 0 ADAERN Cc1cc(N)cc(=O)n1C1CCCC1 257898182 573915796 /nfs/dbraw/zinc/91/57/96/573915796.db2.gz YHXKRFGFCAAKNA-UHFFFAOYSA-N 0 0 192.262 1.854 10 0 ADAERN COC(=O)[C@@H](F)C[C@H]1CCCCO1 257898199 573915816 /nfs/dbraw/zinc/91/58/16/573915816.db2.gz YIKHBWLONVVIEU-SFYZADRCSA-N 0 0 190.214 1.457 10 0 ADAERN CC(=O)[C@@]1(F)CCCC[C@@H]1O 238184942 573915821 /nfs/dbraw/zinc/91/58/21/573915821.db2.gz IEHBDPFVQQBIAV-YUMQZZPRSA-N 0 0 160.188 1.219 10 0 ADAERN CC[C@@](C)(CO)Nc1ccccn1 80882264 573915822 /nfs/dbraw/zinc/91/58/22/573915822.db2.gz JJPNDXWPUOIRQL-JTQLQIEISA-N 0 0 180.251 1.655 10 0 ADAERN COC[C@H](C)CC1(O)CC1 87438550 573915829 /nfs/dbraw/zinc/91/58/29/573915829.db2.gz QCNAHGGPTOPXSY-SSDOTTSWSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)[C@H]1[C@@H](O)CC12CC2 238184798 573915847 /nfs/dbraw/zinc/91/58/47/573915847.db2.gz KISFBFPDVNYANH-YUMQZZPRSA-N 0 0 140.226 1.803 10 0 ADAERN COC(=O)N(C)[C@H](CO)C(C)(C)C 393571259 573915870 /nfs/dbraw/zinc/91/58/70/573915870.db2.gz YDKPJIHTXMIFGX-SSDOTTSWSA-N 0 0 189.255 1.092 10 0 ADAERN CC(C)[C@H](C)C(=O)Nc1n[nH]cc1N 87419088 573915905 /nfs/dbraw/zinc/91/59/05/573915905.db2.gz BFMFHWAJXWEYFI-LURJTMIESA-N 0 0 196.254 1.223 10 0 ADAERN CC(C)SC[C@@H](O)C(C)(C)O 238185526 573915906 /nfs/dbraw/zinc/91/59/06/573915906.db2.gz NDHUZOCIFVQTNT-SSDOTTSWSA-N 0 0 178.297 1.260 10 0 ADAERN C[C@@H](O)c1nc2c(N)cccc2o1 87439726 573915911 /nfs/dbraw/zinc/91/59/11/573915911.db2.gz XPCGURDZHHCUEJ-RXMQYKEDSA-N 0 0 178.191 1.463 10 0 ADAERN CC1=C[C@H](O)[C@H](C(C)C)C(=O)C1 238184773 573915943 /nfs/dbraw/zinc/91/59/43/573915943.db2.gz ORXOHVOZOHQUKA-WPRPVWTQSA-N 0 0 168.236 1.539 10 0 ADAERN COc1ccc2c(c1O)CCO2 258457203 573916002 /nfs/dbraw/zinc/91/60/02/573916002.db2.gz GRFOUILGJJDOMU-UHFFFAOYSA-N 0 0 166.176 1.336 10 0 ADAERN CC(C)(O)[C@@H]1CC(=O)[C@@]2(C)C[C@@H]12 238184877 573916023 /nfs/dbraw/zinc/91/60/23/573916023.db2.gz MWLDLPVXAMFWID-FWWHASMVSA-N 0 0 168.236 1.373 10 0 ADAERN CCOCCC[C@]1(O)C[C@@H]1C 87438572 573916025 /nfs/dbraw/zinc/91/60/25/573916025.db2.gz BEPHYJCUZBKALS-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CC(=O)[C@H]1CCC=NN1C(C)C 238184913 573916026 /nfs/dbraw/zinc/91/60/26/573916026.db2.gz RTYWZEQCQUOIDK-SECBINFHSA-N 0 0 168.240 1.434 10 0 ADAERN Cc1[nH]nc(NC(=O)CC(C)C)c1N 87419265 573916031 /nfs/dbraw/zinc/91/60/31/573916031.db2.gz AWDQCPJGPCIDDT-UHFFFAOYSA-N 0 0 196.254 1.285 10 0 ADAERN Cc1ccsc1[C@@H](N)C(=O)N(C)C 259008389 573916050 /nfs/dbraw/zinc/91/60/50/573916050.db2.gz HMDOMZLJXHIRHU-SSDOTTSWSA-N 0 0 198.291 1.145 10 0 ADAERN CC(=O)[C@@]1(O)CCCC[C@@H]1F 238185473 573916212 /nfs/dbraw/zinc/91/62/12/573916212.db2.gz FIGATCIXYJFURQ-YUMQZZPRSA-N 0 0 160.188 1.219 10 0 ADAERN Cc1[nH]nc(NC(=O)OC(C)C)c1N 87419580 573916213 /nfs/dbraw/zinc/91/62/13/573916213.db2.gz RCUGGRGQVUXDQP-UHFFFAOYSA-N 0 0 198.226 1.257 10 0 ADAERN C[C@@H]1C[C@]1(O)C[C@@H]1CCCCO1 87420084 573916224 /nfs/dbraw/zinc/91/62/24/573916224.db2.gz RQKKMOXDFJZSQC-UTLUCORTSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1cccc(N(C)C)c1CCCO 259581641 573916259 /nfs/dbraw/zinc/91/62/59/573916259.db2.gz YEIZFYPXEMFQEQ-UHFFFAOYSA-N 0 0 193.290 1.986 10 0 ADAERN CC(C)(O)[C@@H]1CC=CC[C@H]1CO 238185020 573916265 /nfs/dbraw/zinc/91/62/65/573916265.db2.gz YDUXYKDBHUNBOP-DTWKUNHWSA-N 0 0 170.252 1.332 10 0 ADAERN CC1=C[C@](C)(c2ccccc2)NC1=O 238185077 573916281 /nfs/dbraw/zinc/91/62/81/573916281.db2.gz QQEFMBCWYRGUHZ-GFCCVEGCSA-N 0 0 187.242 1.978 10 0 ADAERN CCCN(C)c1cc(NC#N)ncn1 259005358 573916303 /nfs/dbraw/zinc/91/63/03/573916303.db2.gz FQFVFWJENPUVMN-UHFFFAOYSA-N 0 0 191.238 1.216 10 0 ADAERN Cc1onc2c(C=O)cccc12 258457062 573916316 /nfs/dbraw/zinc/91/63/16/573916316.db2.gz GPAIYHKGMRFBBH-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN CC[C@@H](C)Oc1cc(N)[nH]n1 145068485 573916323 /nfs/dbraw/zinc/91/63/23/573916323.db2.gz LTDBDIGAWHHYAO-RXMQYKEDSA-N 0 0 155.201 1.169 10 0 ADAERN C[C@]1(c2nc(N)no2)CCCSC1 258180310 573916324 /nfs/dbraw/zinc/91/63/24/573916324.db2.gz UXXLMXSJAGUKOX-QMMMGPOBSA-N 0 0 199.279 1.437 10 0 ADAERN C[S@@](=O)Cc1ccco1 80874774 573916329 /nfs/dbraw/zinc/91/63/29/573916329.db2.gz RVBNVHBRYODBLU-VIFPVBQESA-N 0 0 144.195 1.158 10 0 ADAERN Cc1ccncc1[C@@H](O)[C@H](O)C1CC1 235801035 573916339 /nfs/dbraw/zinc/91/63/39/573916339.db2.gz ZTKFVVBVWXBVHU-GHMZBOCLSA-N 0 0 193.246 1.194 10 0 ADAERN COc1ccc(Cl)c(CC(N)=O)c1 80875025 573918191 /nfs/dbraw/zinc/91/81/91/573918191.db2.gz BLZJMFOPUFTYLE-UHFFFAOYSA-N 0 0 199.637 1.376 10 0 ADAERN COc1ccccc1-c1n[nH]nc1N 257899441 573918192 /nfs/dbraw/zinc/91/81/92/573918192.db2.gz YNKHISQLTWLGFV-UHFFFAOYSA-N 0 0 190.206 1.063 10 0 ADAERN O[C@H]1CNc2cccc(F)c2C1 257898294 573918215 /nfs/dbraw/zinc/91/82/15/573918215.db2.gz VKKMYZVESPJXKV-ZCFIWIBFSA-N 0 0 167.183 1.155 10 0 ADAERN CC[C@@](C)(CO)Nc1ccc(C)cn1 80882846 573918218 /nfs/dbraw/zinc/91/82/18/573918218.db2.gz TVZPMPBXHUFVRR-NSHDSACASA-N 0 0 194.278 1.963 10 0 ADAERN CCCCC(=O)CCO 80899735 573917350 /nfs/dbraw/zinc/91/73/50/573917350.db2.gz QMXBCUFJHVABLO-UHFFFAOYSA-N 0 0 130.187 1.128 10 0 ADAERN CC(C)CN(CC(C)C)C(N)=S 42034483 573917354 /nfs/dbraw/zinc/91/73/54/573917354.db2.gz QRPBODINZNTXNH-UHFFFAOYSA-N 0 0 188.340 1.844 10 0 ADAERN CC1(C)C[C@H](C(C)(C)O)CC1=O 238184817 573917361 /nfs/dbraw/zinc/91/73/61/573917361.db2.gz JCTBNVDATZKZRG-SSDOTTSWSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H](CC1=CC[N@H+](C)CC1)C(=O)[O-] 257898643 573917365 /nfs/dbraw/zinc/91/73/65/573917365.db2.gz AHONPBFFLGIOHV-QMMMGPOBSA-N 0 0 183.251 1.359 10 0 ADAERN Cc1ccc2c(c1)NCC[C@H]2CO 84767479 573917391 /nfs/dbraw/zinc/91/73/91/573917391.db2.gz CFLMNOQHLYSHAR-VIFPVBQESA-N 0 0 177.247 1.887 10 0 ADAERN CC(C)Sc1nc(N)co1 257898860 573917398 /nfs/dbraw/zinc/91/73/98/573917398.db2.gz NRIVBIMZHVBBJJ-UHFFFAOYSA-N 0 0 158.226 1.757 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2SC[C@H]2C1 259581500 573917400 /nfs/dbraw/zinc/91/74/00/573917400.db2.gz KHTGWZXQSTXWMH-PRJMDXOYSA-N 0 0 186.276 1.691 10 0 ADAERN O=C1NCC[C@H](C2CCC2)O1 258457478 573917407 /nfs/dbraw/zinc/91/74/07/573917407.db2.gz GTMZXOCAVCBXED-SSDOTTSWSA-N 0 0 155.197 1.285 10 0 ADAERN CC(C)OC(=S)SCCO 238185139 573917413 /nfs/dbraw/zinc/91/74/13/573917413.db2.gz RZVABEACQTVAMX-UHFFFAOYSA-N 0 0 180.294 1.422 10 0 ADAERN CC(C)C1=N[C@@H]2CC[C@@H](O)C[C@@H]2O1 257898624 573917443 /nfs/dbraw/zinc/91/74/43/573917443.db2.gz HGTYRHVJTHCCTL-HLTSFMKQSA-N 0 0 183.251 1.353 10 0 ADAERN CC(C)Cc1nc(N)cc2nc[nH]c12 257899433 573918240 /nfs/dbraw/zinc/91/82/40/573918240.db2.gz YNFDVTYPFSBOII-UHFFFAOYSA-N 0 0 190.250 1.739 10 0 ADAERN C[C@@H]1[C@@H](c2ccccc2)OCN1CO 145064193 573917462 /nfs/dbraw/zinc/91/74/62/573917462.db2.gz PCBMTPKDENUAOQ-KOLCDFICSA-N 0 0 193.246 1.356 10 0 ADAERN CCN1CCC[C@H]1n1cc([O-])cn1 257898894 573917471 /nfs/dbraw/zinc/91/74/71/573917471.db2.gz HNQZGMCZMXMQLT-SECBINFHSA-N 0 0 181.239 1.203 10 0 ADAERN CC(=O)[C@@]1(CO)CC=CC(C)(C)C1 238184524 573917489 /nfs/dbraw/zinc/91/74/89/573917489.db2.gz UDVSXSZMRRADNR-NSHDSACASA-N 0 0 182.263 1.930 10 0 ADAERN CCC(=O)c1ccn2ccnc2c1 145065488 573917494 /nfs/dbraw/zinc/91/74/94/573917494.db2.gz VFSAIKSPLUTDIS-UHFFFAOYSA-N 0 0 174.203 1.927 10 0 ADAERN O[C@@H]1CCO[C@@H]1c1ccccc1 80873340 573917537 /nfs/dbraw/zinc/91/75/37/573917537.db2.gz IVSJPOQKBYMUOG-NXEZZACHSA-N 0 0 164.204 1.509 10 0 ADAERN Cc1nc([C@H]2CCC[NH2+]2)c(C(=O)[O-])o1 258180502 573917545 /nfs/dbraw/zinc/91/75/45/573917545.db2.gz VAPIQFNFBMKKFK-ZCFIWIBFSA-N 0 0 196.206 1.106 10 0 ADAERN CC(=O)COCCC(F)(F)F 131679019 573917552 /nfs/dbraw/zinc/91/75/52/573917552.db2.gz IMIZWHMMVGENLC-UHFFFAOYSA-N 0 0 170.130 1.544 10 0 ADAERN [NH3+][C@@H](C[C@@H](F)C1CCCC1)C(=O)[O-] 257899468 573917561 /nfs/dbraw/zinc/91/75/61/573917561.db2.gz YOTJENGKZRTMCY-SFYZADRCSA-N 0 0 189.230 1.317 10 0 ADAERN Fc1cccc([C@H]2CCNO2)c1 258455116 573917622 /nfs/dbraw/zinc/91/76/22/573917622.db2.gz GNDFMOHZIPEOLH-SECBINFHSA-N 0 0 167.183 1.792 10 0 ADAERN CC(=O)[C@@]1(F)C[C@H]2C=C[C@@H]1C2 238184988 573917701 /nfs/dbraw/zinc/91/77/01/573917701.db2.gz HBSXYDYRBULWJT-YIZRAAEISA-N 0 0 154.184 1.880 10 0 ADAERN CC(C)[C@@H]1C(=O)NC(=O)[C@H]1C(C)C 238185344 573917708 /nfs/dbraw/zinc/91/77/08/573917708.db2.gz RONXIJICSUHTJR-YUMQZZPRSA-N 0 0 183.251 1.187 10 0 ADAERN CC[C@](C)(CO)Nc1ccc(C)cn1 80882849 573917716 /nfs/dbraw/zinc/91/77/16/573917716.db2.gz TVZPMPBXHUFVRR-LLVKDONJSA-N 0 0 194.278 1.963 10 0 ADAERN O=C([O-])/C=C\C[NH+]1CC2(CCCC2)C1 308462967 573918245 /nfs/dbraw/zinc/91/82/45/573918245.db2.gz DQQNYMQNUJDVAJ-ARJAWSKDSA-N 0 0 195.262 1.503 10 0 ADAERN CC1C[C@H](O)C(C)(C)[C@@H](O)C1 238184697 573917722 /nfs/dbraw/zinc/91/77/22/573917722.db2.gz KGCVFWBZERVYEH-YUMQZZPRSA-N 0 0 158.241 1.164 10 0 ADAERN CCN[C@@]1(C(F)F)CO[C@@H](C)C1 401520095 573917732 /nfs/dbraw/zinc/91/77/32/573917732.db2.gz QIFZFBHBPZCAQN-POYBYMJQSA-N 0 0 179.210 1.409 10 0 ADAERN CC(C)(O)[C@@H]1CC=CC[C@@H]1CO 238185003 573917751 /nfs/dbraw/zinc/91/77/51/573917751.db2.gz YDUXYKDBHUNBOP-RKDXNWHRSA-N 0 0 170.252 1.332 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@@H](C)[NH+](C)C 259239945 573917787 /nfs/dbraw/zinc/91/77/87/573917787.db2.gz BDFSKPUFWIHPPA-HTQZYQBOSA-N 0 0 173.256 1.293 10 0 ADAERN OCNc1ccc(Cl)cc1 80866980 573917807 /nfs/dbraw/zinc/91/78/07/573917807.db2.gz JMYTZBBFUKQZLQ-UHFFFAOYSA-N 0 0 157.600 1.702 10 0 ADAERN Cn1cc(-c2ccccc2N)cc1N 258180608 573918247 /nfs/dbraw/zinc/91/82/47/573918247.db2.gz SNEGSIVYSCYMFR-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN CCCCC[C@@](C)(O)c1ncnn1C 308462675 573917830 /nfs/dbraw/zinc/91/78/30/573917830.db2.gz GSFIQHLWMODEGF-SNVBAGLBSA-N 0 0 197.282 1.603 10 0 ADAERN COC1(c2ccc(CNO)cc2)CC1 259581689 573917851 /nfs/dbraw/zinc/91/78/51/573917851.db2.gz YFNZVODVGBTRAR-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CC1(C)CC(=O)[C@H](O)[C@@](C)(Cl)C1 238185427 573917856 /nfs/dbraw/zinc/91/78/56/573917856.db2.gz FGVUKQHTFQJELL-CBAPKCEASA-N 0 0 190.670 1.734 10 0 ADAERN CC(C)(C)CCOCCO 80916225 573917858 /nfs/dbraw/zinc/91/78/58/573917858.db2.gz DJSOHBSAMRZTHS-UHFFFAOYSA-N 0 0 146.230 1.432 10 0 ADAERN CCc1ccnc(CNC2CC2)n1 259007662 573917869 /nfs/dbraw/zinc/91/78/69/573917869.db2.gz DWAYBZYGWIZUQL-UHFFFAOYSA-N 0 0 177.251 1.291 10 0 ADAERN CC1(C)OC[C@H]([C@H](O)c2ccc[nH]2)O1 238184155 573917872 /nfs/dbraw/zinc/91/78/72/573917872.db2.gz LMPMZCRRXBTATP-RKDXNWHRSA-N 0 0 197.234 1.200 10 0 ADAERN [NH3+][C@H](C1CCCCC1)[C@@H]1C[C@H]1C(=O)[O-] 259236005 573917874 /nfs/dbraw/zinc/91/78/74/573917874.db2.gz HLIQPZXCYPOYJC-OPRDCNLKSA-N 0 0 197.278 1.615 10 0 ADAERN [NH3+][C@H](C[C@H](F)C1CCCC1)C(=O)[O-] 257899467 573917879 /nfs/dbraw/zinc/91/78/79/573917879.db2.gz YOTJENGKZRTMCY-JGVFFNPUSA-N 0 0 189.230 1.317 10 0 ADAERN FCC1=COCCC1 259236223 573917906 /nfs/dbraw/zinc/91/79/06/573917906.db2.gz KKRAIKKOCIUKPJ-UHFFFAOYSA-N 0 0 116.135 1.650 10 0 ADAERN CC(=O)[C@]1(O)CC=CCC1 238185325 573917916 /nfs/dbraw/zinc/91/79/16/573917916.db2.gz JUAMLRHXBNIFNZ-QMMMGPOBSA-N 0 0 140.182 1.047 10 0 ADAERN COc1ccccc1[C@@]1(C)NCCO1 258457028 573917924 /nfs/dbraw/zinc/91/79/24/573917924.db2.gz KKWXJAHJIOKKQL-NSHDSACASA-N 0 0 193.246 1.488 10 0 ADAERN CC1CC(=O)C(C)(C)C(=O)C1 197129702 573917960 /nfs/dbraw/zinc/91/79/60/573917960.db2.gz LHRYQHPZLUBSEV-UHFFFAOYSA-N 0 0 154.209 1.581 10 0 ADAERN CN1C[C@H](CCO)c2cc(F)ccc21 257898718 573918004 /nfs/dbraw/zinc/91/80/04/573918004.db2.gz AIXZPFKDIWTUJU-QMMMGPOBSA-N 0 0 195.237 1.742 10 0 ADAERN COc1ccc([C@]2(CO)C[C@@H]2C)cc1 259007334 573918028 /nfs/dbraw/zinc/91/80/28/573918028.db2.gz NPVSAWGNEAJXJB-CABZTGNLSA-N 0 0 192.258 1.965 10 0 ADAERN Cc1nc2nc(C)c(C)c(C)n2n1 150249675 573918062 /nfs/dbraw/zinc/91/80/62/573918062.db2.gz PCGBIBQVPSLKPR-UHFFFAOYSA-N 0 0 176.223 1.358 10 0 ADAERN CC[C@](C)(CO)Nc1ccccc1N 80885848 573918080 /nfs/dbraw/zinc/91/80/80/573918080.db2.gz OSKMLAXRKLJTJO-LLVKDONJSA-N 0 0 194.278 1.842 10 0 ADAERN CC(C)CN(C)C(=O)N[C@H]1CC12CC2 335140131 573918088 /nfs/dbraw/zinc/91/80/88/573918088.db2.gz DHTNWVPKFXHFTQ-VIFPVBQESA-N 0 0 196.294 1.836 10 0 ADAERN [NH3+][C@H](C1CCCCC1)[C@H]1C[C@@H]1C(=O)[O-] 259236001 573918105 /nfs/dbraw/zinc/91/81/05/573918105.db2.gz HLIQPZXCYPOYJC-LPEHRKFASA-N 0 0 197.278 1.615 10 0 ADAERN C[C@H]1CNC(=O)N1c1ccccc1O 257899394 573918115 /nfs/dbraw/zinc/91/81/15/573918115.db2.gz YMGSXYPFEHKGHR-ZETCQYMHSA-N 0 0 192.218 1.310 10 0 ADAERN COC[C@@H](O)[C@H](O)c1ccc(C)cc1 308462887 573918124 /nfs/dbraw/zinc/91/81/24/573918124.db2.gz DKGYOQQGYCMTLZ-GHMZBOCLSA-N 0 0 196.246 1.036 10 0 ADAERN CC[C@H](C(=O)[O-])N(C)c1cc[nH+]cc1 44619426 573918128 /nfs/dbraw/zinc/91/81/28/573918128.db2.gz TZQULESAIDGEBW-SECBINFHSA-N 0 0 194.234 1.381 10 0 ADAERN Cc1cc(N)nc(-c2ocnc2C)n1 74274733 573918160 /nfs/dbraw/zinc/91/81/60/573918160.db2.gz BDKQRCLDUUOREA-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1ccc(N(C)CNN)cc1C 259007582 573918162 /nfs/dbraw/zinc/91/81/62/573918162.db2.gz FVRDGMZNWYEVCZ-UHFFFAOYSA-N 0 0 179.267 1.160 10 0 ADAERN NC(=O)c1nccc2sccc12 139976236 573918190 /nfs/dbraw/zinc/91/81/90/573918190.db2.gz IZUQQPBSLDKUNV-UHFFFAOYSA-N 0 0 178.216 1.395 10 0 ADAERN CCC[C@@H](CC)[N@H+](C)[C@@H](C)C(=O)[O-] 233283784 573918166 /nfs/dbraw/zinc/91/81/66/573918166.db2.gz JJVWSXKVPIOLQD-DTWKUNHWSA-N 0 0 187.283 1.970 10 0 ADAERN CC1=Cc2nc(N)nc(C)c2CC1 238186812 573919352 /nfs/dbraw/zinc/91/93/52/573919352.db2.gz ODNKCOSFOPMQIJ-UHFFFAOYSA-N 0 0 175.235 1.717 10 0 ADAERN CC(C)C1=N[C@@H]2CC[C@H](O)C[C@H]2O1 257898623 573920223 /nfs/dbraw/zinc/92/02/23/573920223.db2.gz HGTYRHVJTHCCTL-DJLDLDEBSA-N 0 0 183.251 1.353 10 0 ADAERN COc1ccc2c(C)nn(C)c2c1 145086377 573920071 /nfs/dbraw/zinc/92/00/71/573920071.db2.gz QWMWPLOHUITROO-UHFFFAOYSA-N 0 0 176.219 1.890 10 0 ADAERN O=C(CCc1ccco1)OC1CC1 393571381 573919191 /nfs/dbraw/zinc/91/91/91/573919191.db2.gz YOMIUOQKNDVYOR-UHFFFAOYSA-N 0 0 180.203 1.918 10 0 ADAERN Cc1ccsc1[C@H](N)C(=O)N(C)C 259008392 573919207 /nfs/dbraw/zinc/91/92/07/573919207.db2.gz HMDOMZLJXHIRHU-ZETCQYMHSA-N 0 0 198.291 1.145 10 0 ADAERN C[C@H](CC1=CC[N@H+](C)CC1)C(=O)[O-] 257898642 573919208 /nfs/dbraw/zinc/91/92/08/573919208.db2.gz AHONPBFFLGIOHV-MRVPVSSYSA-N 0 0 183.251 1.359 10 0 ADAERN CCC[C@H](O)c1cnn(C)c1Cl 642823699 573919223 /nfs/dbraw/zinc/91/92/23/573919223.db2.gz OIEPPYVWAPBZHG-ZETCQYMHSA-N 0 0 187.650 1.332 10 0 ADAERN CC[C@H](C)c1csc(N)c1C(N)=O 103125779 573919244 /nfs/dbraw/zinc/91/92/44/573919244.db2.gz LPFXDYCMXDJFIL-YFKPBYRVSA-N 0 0 198.291 1.943 10 0 ADAERN COCCCCNCC(F)F 44658652 573919252 /nfs/dbraw/zinc/91/92/52/573919252.db2.gz GYRAHKGOWCTEHX-UHFFFAOYSA-N 0 0 167.199 1.268 10 0 ADAERN Cc1ccc(CNC2=NCCO2)cc1 103195318 573919264 /nfs/dbraw/zinc/91/92/64/573919264.db2.gz AIPCSBPAVBMZBM-UHFFFAOYSA-N 0 0 190.246 1.471 10 0 ADAERN CC(C)c1cc(NC(=O)N(C)C)no1 103207167 573919284 /nfs/dbraw/zinc/91/92/84/573919284.db2.gz ISORSPZEVHZPDM-UHFFFAOYSA-N 0 0 197.238 1.892 10 0 ADAERN CC[C@@H](NC)C(=O)OCCC(C)C 44626932 573919296 /nfs/dbraw/zinc/91/92/96/573919296.db2.gz TXLKBBOZIFTLJN-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN Cc1cccc([C@H](CCO)ON)c1 257899334 573919341 /nfs/dbraw/zinc/91/93/41/573919341.db2.gz OQQJJWYMRVZCTG-JTQLQIEISA-N 0 0 181.235 1.309 10 0 ADAERN CC1(C)CN[C@H](c2ccco2)OC1 258456906 573919361 /nfs/dbraw/zinc/91/93/61/573919361.db2.gz KKFZDYOIBGEOEE-VIFPVBQESA-N 0 0 181.235 1.924 10 0 ADAERN CO[C@@](C)(CO)c1cccc(O)c1 257899318 573919365 /nfs/dbraw/zinc/91/93/65/573919365.db2.gz OQDGNPDZAKXZHE-JTQLQIEISA-N 0 0 182.219 1.246 10 0 ADAERN O=Cc1ccc(C2(CO)CCC2)cc1 257898248 573919392 /nfs/dbraw/zinc/91/93/92/573919392.db2.gz YKACJEHXWQROHS-UHFFFAOYSA-N 0 0 190.242 1.913 10 0 ADAERN CC[C@](C)(CO)Nc1cc(C)ccn1 80882911 573919430 /nfs/dbraw/zinc/91/94/30/573919430.db2.gz LNEGRDZIBWDPLL-LLVKDONJSA-N 0 0 194.278 1.963 10 0 ADAERN CCCCCOC(=O)CNCCC 44627137 573919461 /nfs/dbraw/zinc/91/94/61/573919461.db2.gz ASFLHVIELWPJMK-UHFFFAOYSA-N 0 0 187.283 1.719 10 0 ADAERN O=C1C[C@@H](CO)[C@H](c2ccccc2)O1 80865662 573919463 /nfs/dbraw/zinc/91/94/63/573919463.db2.gz KYONCAPZRGCEGK-ONGXEEELSA-N 0 0 192.214 1.283 10 0 ADAERN CCN[C@]1(C(F)F)CO[C@@H](C)C1 401520098 573919474 /nfs/dbraw/zinc/91/94/74/573919474.db2.gz QIFZFBHBPZCAQN-XPUUQOCRSA-N 0 0 179.210 1.409 10 0 ADAERN COC(=O)[C@H](N)CCC1CCC1 259006648 573919490 /nfs/dbraw/zinc/91/94/90/573919490.db2.gz HIISRNPJQBQJAJ-MRVPVSSYSA-N 0 0 171.240 1.067 10 0 ADAERN COc1cccc(/C=C(\C)[C@H](C)O)n1 393653652 573919502 /nfs/dbraw/zinc/91/95/02/573919502.db2.gz CDHCQGYVNRARPR-FLOXNTQESA-N 0 0 193.246 1.874 10 0 ADAERN CCN[C@]1(C(F)F)CO[C@H](C)C1 401520097 573919504 /nfs/dbraw/zinc/91/95/04/573919504.db2.gz QIFZFBHBPZCAQN-SVRRBLITSA-N 0 0 179.210 1.409 10 0 ADAERN CC1(C)O[C@@H](c2cccs2)NC1=O 238186765 573919513 /nfs/dbraw/zinc/91/95/13/573919513.db2.gz CHXVAENZNGMCBR-ZETCQYMHSA-N 0 0 197.259 1.672 10 0 ADAERN OCc1coc(-c2ccncc2)n1 257899928 573919519 /nfs/dbraw/zinc/91/95/19/573919519.db2.gz BRUNGSWHPRXYKO-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN COCCCc1nc(C[C@H](C)O)co1 257899157 573919561 /nfs/dbraw/zinc/91/95/61/573919561.db2.gz DHUBGJULLAMYFZ-QMMMGPOBSA-N 0 0 199.250 1.177 10 0 ADAERN CC(=O)[C@@H](C)OCCC(F)(F)F 131673509 573919609 /nfs/dbraw/zinc/91/96/09/573919609.db2.gz MRUOMUOETHRJOM-ZCFIWIBFSA-N 0 0 184.157 1.933 10 0 ADAERN CC(C)(O)[C@@H]1O[C@@H]1c1cccc(O)c1 238186818 573919613 /nfs/dbraw/zinc/91/96/13/573919613.db2.gz YFWKGBSMICEVPM-NXEZZACHSA-N 0 0 194.230 1.603 10 0 ADAERN COc1nnc(C(F)(F)F)cc1N 257898813 573920186 /nfs/dbraw/zinc/92/01/86/573920186.db2.gz HMFBNSOPTUWMTL-UHFFFAOYSA-N 0 0 193.128 1.086 10 0 ADAERN C[C@@H]1CNC(=O)N1c1ccccc1O 257899392 573919668 /nfs/dbraw/zinc/91/96/68/573919668.db2.gz YMGSXYPFEHKGHR-SSDOTTSWSA-N 0 0 192.218 1.310 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])C[C@H]2C[C@@H]1[C@@H]1CCC[C@H]21 145091026 573919686 /nfs/dbraw/zinc/91/96/86/573919686.db2.gz UWCNBSOSTMTRND-UEWQFTGXSA-N 0 0 195.262 1.225 10 0 ADAERN CCSCc1oncc1N 257899031 573919687 /nfs/dbraw/zinc/91/96/87/573919687.db2.gz KFPAYNTZIVWATJ-UHFFFAOYSA-N 0 0 158.226 1.510 10 0 ADAERN C[C@@H]1CC(=O)Nc2cc(N)ccc2N1 103178928 573919688 /nfs/dbraw/zinc/91/96/88/573919688.db2.gz ZUJFJRKGNNHMRQ-ZCFIWIBFSA-N 0 0 191.234 1.411 10 0 ADAERN C[C@@]1(c2ccccc2N)CNC(=O)O1 257899459 573919693 /nfs/dbraw/zinc/91/96/93/573919693.db2.gz YOPPWFUKESYEBG-JTQLQIEISA-N 0 0 192.218 1.224 10 0 ADAERN O=C(COCCC(F)(F)F)C1CC1 131676922 573919695 /nfs/dbraw/zinc/91/96/95/573919695.db2.gz SFFIMQXZWWLBIE-UHFFFAOYSA-N 0 0 196.168 1.935 10 0 ADAERN CCn1oc(=O)c2c(N)cccc21 257899280 573919696 /nfs/dbraw/zinc/91/96/96/573919696.db2.gz OOOVAOUPWCGBTB-UHFFFAOYSA-N 0 0 178.191 1.197 10 0 ADAERN CC(C)n1cccc1[C@H]1CNC(=O)C1 238185697 573919711 /nfs/dbraw/zinc/91/97/11/573919711.db2.gz XDACFHAYSLHTCX-SECBINFHSA-N 0 0 192.262 1.673 10 0 ADAERN CC1(C)CC(=O)[C@]2(C)C[C@H]1O2 238186065 573919729 /nfs/dbraw/zinc/91/97/29/573919729.db2.gz YQYNEKSNZUUCIV-APPZFPTMSA-N 0 0 154.209 1.533 10 0 ADAERN CC(C)C1=N[C@@H]2CC[C@@H](O)C[C@H]2O1 257898626 573919743 /nfs/dbraw/zinc/91/97/43/573919743.db2.gz HGTYRHVJTHCCTL-IWSPIJDZSA-N 0 0 183.251 1.353 10 0 ADAERN CCOC(=O)[C@@]1(F)CCCC[C@H]1O 145076659 573919775 /nfs/dbraw/zinc/91/97/75/573919775.db2.gz NDKDIEOYJKYBSI-VXNVDRBHSA-N 0 0 190.214 1.193 10 0 ADAERN CNc1nc(C2CCOCC2)co1 259006494 573919817 /nfs/dbraw/zinc/91/98/17/573919817.db2.gz BUOWEASPPRAJKM-UHFFFAOYSA-N 0 0 182.223 1.610 10 0 ADAERN COCCCCn1cccc1 44659766 573919819 /nfs/dbraw/zinc/91/98/19/573919819.db2.gz KQPDIMLYXICYLF-UHFFFAOYSA-N 0 0 153.225 1.915 10 0 ADAERN CCCC(Cl)(Cl)[C@@H](O)OC 238185960 573919822 /nfs/dbraw/zinc/91/98/22/573919822.db2.gz HHYXBCZCYNSOJO-YFKPBYRVSA-N 0 0 187.066 1.925 10 0 ADAERN CC1(C)CC(=S)NC1=S 238186390 573919833 /nfs/dbraw/zinc/91/98/33/573919833.db2.gz AHHXYFNXCBDSGA-UHFFFAOYSA-N 0 0 159.279 1.661 10 0 ADAERN CN[C@@H](N)c1cc(F)ccc1OC 259238820 573919851 /nfs/dbraw/zinc/91/98/51/573919851.db2.gz HQFWJHGCWZLWFR-SECBINFHSA-N 0 0 184.214 1.011 10 0 ADAERN CC(C)Cc1ccnc(CCCO)n1 259007633 573919854 /nfs/dbraw/zinc/91/98/54/573919854.db2.gz DVJRTNQNZLQZGY-UHFFFAOYSA-N 0 0 194.278 1.600 10 0 ADAERN CCC[C@](C)(O)c1ncnn1C(C)C 308462773 573919872 /nfs/dbraw/zinc/91/98/72/573919872.db2.gz GUWJXIYHNZCVGF-JTQLQIEISA-N 0 0 197.282 1.867 10 0 ADAERN COC(=O)N(C)[C@@H](CO)C(C)(C)C 393571260 573920200 /nfs/dbraw/zinc/92/02/00/573920200.db2.gz YDKPJIHTXMIFGX-ZETCQYMHSA-N 0 0 189.255 1.092 10 0 ADAERN CC1=Cc2nn(C(N)=O)cc2CC1 238186980 573919883 /nfs/dbraw/zinc/91/98/83/573919883.db2.gz KKWSQQNYQAAKLT-UHFFFAOYSA-N 0 0 177.207 1.159 10 0 ADAERN CC[C@H](C)OC(=O)[C@H](CC)NC 44626747 573919923 /nfs/dbraw/zinc/91/99/23/573919923.db2.gz VRJIHFISPADBFP-YUMQZZPRSA-N 0 0 173.256 1.326 10 0 ADAERN CC1(C)O[C@@H]2C=CCC(=O)[C@@H]2O1 238187083 573919945 /nfs/dbraw/zinc/91/99/45/573919945.db2.gz CSMYFOQNWBXUAS-SFYZADRCSA-N 0 0 168.192 1.036 10 0 ADAERN CCC(CC)C[C@H](O)c1cnn(C)n1 308463149 573920212 /nfs/dbraw/zinc/92/02/12/573920212.db2.gz GYVBXGGCUVGLDD-JTQLQIEISA-N 0 0 197.282 1.675 10 0 ADAERN COc1ccc(CC[C@H](C)O)c(O)c1 238387582 573919960 /nfs/dbraw/zinc/91/99/60/573919960.db2.gz VXXSMXVNVOLYQV-QMMMGPOBSA-N 0 0 196.246 1.714 10 0 ADAERN COC(=O)[C@H](C)c1ccc(F)cc1O 145092790 573920020 /nfs/dbraw/zinc/92/00/20/573920020.db2.gz ICVYNHFCZHLUHA-ZCFIWIBFSA-N 0 0 198.193 1.808 10 0 ADAERN CCn1cc([C@@H]2CC[C@H](O)[C@@H]2C)cn1 84876573 573920222 /nfs/dbraw/zinc/92/02/22/573920222.db2.gz ULODLNOSEARURF-IEBDPFPHSA-N 0 0 194.278 1.777 10 0 ADAERN CCCCN1C(=O)CN(CCC)C1=O 44626401 573920028 /nfs/dbraw/zinc/92/00/28/573920028.db2.gz HDTLZXLEIDKXDL-UHFFFAOYSA-N 0 0 198.266 1.461 10 0 ADAERN CCC(C)(C)OC(=O)[C@H](C)N 238186651 573920037 /nfs/dbraw/zinc/92/00/37/573920037.db2.gz WUNJARMXNJNZBQ-LURJTMIESA-N 0 0 159.229 1.065 10 0 ADAERN COC[C@@H](O)[C@@H](O)c1ccc(C)cc1 308462888 573920055 /nfs/dbraw/zinc/92/00/55/573920055.db2.gz DKGYOQQGYCMTLZ-MNOVXSKESA-N 0 0 196.246 1.036 10 0 ADAERN CC(C)OC(=O)[C@@H]1CCCCCN1 80989678 573920110 /nfs/dbraw/zinc/92/01/10/573920110.db2.gz CVEASYHRVIZBEX-VIFPVBQESA-N 0 0 185.267 1.470 10 0 ADAERN Nc1nc(C=O)nc2cc(F)ccc12 257899465 573920113 /nfs/dbraw/zinc/92/01/13/573920113.db2.gz YOTDUSKGTKAYTA-UHFFFAOYSA-N 0 0 191.165 1.164 10 0 ADAERN CCC(C)(C)NC(=O)c1nc(C)n[nH]1 87446708 573920117 /nfs/dbraw/zinc/92/01/17/573920117.db2.gz PYQXVYURRIYQIW-UHFFFAOYSA-N 0 0 196.254 1.032 10 0 ADAERN COC(=O)[C@@H](c1nc(C)c[nH]1)C(C)C 259005693 573920137 /nfs/dbraw/zinc/92/01/37/573920137.db2.gz CRPDYJXFOIZNTA-MRVPVSSYSA-N 0 0 196.250 1.631 10 0 ADAERN Cc1cccc([C@@H](CCO)ON)c1 257899335 573920139 /nfs/dbraw/zinc/92/01/39/573920139.db2.gz OQQJJWYMRVZCTG-SNVBAGLBSA-N 0 0 181.235 1.309 10 0 ADAERN COCc1cn(C)c2ccc(N)cc12 257899598 573920144 /nfs/dbraw/zinc/92/01/44/573920144.db2.gz AURQFKHCTWJISO-UHFFFAOYSA-N 0 0 190.246 1.907 10 0 ADAERN CCc1c[nH]c([C@H](CO)C(C)C)n1 259005668 573920152 /nfs/dbraw/zinc/92/01/52/573920152.db2.gz CQVRTXHWMRLFTK-SECBINFHSA-N 0 0 182.267 1.704 10 0 ADAERN CC(=O)[C@@]12CCCC[C@@H]1CCO2 238186326 573920166 /nfs/dbraw/zinc/92/01/66/573920166.db2.gz KFDZXVSZFKXZBA-ZJUUUORDSA-N 0 0 168.236 1.925 10 0 ADAERN CCC1CCC(CNC=O)CC1 84889049 573920170 /nfs/dbraw/zinc/92/01/70/573920170.db2.gz RXNBRVONHHBKPO-UHFFFAOYSA-N 0 0 169.268 1.949 10 0 ADAERN CCCOC[C@H](O)c1cncc(F)c1 44653338 573920177 /nfs/dbraw/zinc/92/01/77/573920177.db2.gz BUVNZDQBVRQNPB-JTQLQIEISA-N 0 0 199.225 1.681 10 0 ADAERN O=C1CCN(CCCC(F)F)C1 688731291 573921473 /nfs/dbraw/zinc/92/14/73/573921473.db2.gz LRCZJQUUHIDVDG-UHFFFAOYSA-N 0 0 177.194 1.307 10 0 ADAERN CCn1cc([C@@H]2CC[C@@H](O)[C@@H]2C)cn1 84876576 573921964 /nfs/dbraw/zinc/92/19/64/573921964.db2.gz ULODLNOSEARURF-FBIMIBRVSA-N 0 0 194.278 1.777 10 0 ADAERN CNOCCOc1ccccc1OC 257900638 573921983 /nfs/dbraw/zinc/92/19/83/573921983.db2.gz HRQONHYCSVZKKR-UHFFFAOYSA-N 0 0 197.234 1.225 10 0 ADAERN COC(=O)[C@H](c1nc(C)c[nH]1)C(C)C 259005695 573921171 /nfs/dbraw/zinc/92/11/71/573921171.db2.gz CRPDYJXFOIZNTA-QMMMGPOBSA-N 0 0 196.250 1.631 10 0 ADAERN NOC[C@@H](O)c1cccc(Cl)c1 257900560 573921181 /nfs/dbraw/zinc/92/11/81/573921181.db2.gz YSNWRDGSXQWICL-MRVPVSSYSA-N 0 0 187.626 1.264 10 0 ADAERN CC(C)S(=O)(=O)C(F)(F)F 145094801 573921187 /nfs/dbraw/zinc/92/11/87/573921187.db2.gz UPXMMKAMIKNCSS-UHFFFAOYSA-N 0 0 176.159 1.329 10 0 ADAERN CCCOC[C@@H](O)c1cnn(CC)c1 44653421 573921191 /nfs/dbraw/zinc/92/11/91/573921191.db2.gz LECZMZAFFAXDSM-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN CC1(C)ON=C(c2ccccc2O)O1 238185945 573921192 /nfs/dbraw/zinc/92/11/92/573921192.db2.gz FEJYVLRIQZLHTM-UHFFFAOYSA-N 0 0 193.202 1.837 10 0 ADAERN CC[C@H](NC)C(=O)OCCC(C)C 44626930 573921205 /nfs/dbraw/zinc/92/12/05/573921205.db2.gz TXLKBBOZIFTLJN-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN COC(=O)[C@@H](N)CCC1CCC1 259006653 573921206 /nfs/dbraw/zinc/92/12/06/573921206.db2.gz HIISRNPJQBQJAJ-QMMMGPOBSA-N 0 0 171.240 1.067 10 0 ADAERN CCCOC(=O)C/C=C/CCO 145075758 573921218 /nfs/dbraw/zinc/92/12/18/573921218.db2.gz QGHGVCFJGQPHOI-ONEGZZNKSA-N 0 0 172.224 1.268 10 0 ADAERN CC(=S)N[C@@H](CO)CC(C)C 238186083 573921226 /nfs/dbraw/zinc/92/12/26/573921226.db2.gz GYESVTPEDTWJGY-MRVPVSSYSA-N 0 0 175.297 1.330 10 0 ADAERN CC(=O)[C@@]12CCCCC[C@@H]1O2 238186193 573921248 /nfs/dbraw/zinc/92/12/48/573921248.db2.gz ZHUARIPULATLFQ-IUCAKERBSA-N 0 0 154.209 1.677 10 0 ADAERN CCC[C@@H](NN)C(C)(C)OC 127579553 573921254 /nfs/dbraw/zinc/92/12/54/573921254.db2.gz XHGNRHDDZVUJHR-SSDOTTSWSA-N 0 0 160.261 1.043 10 0 ADAERN Cc1oc(CO)nc1C1CCOCC1 258182216 573921263 /nfs/dbraw/zinc/92/12/63/573921263.db2.gz VCHAHBDELYTOQK-UHFFFAOYSA-N 0 0 197.234 1.369 10 0 ADAERN c1cc2c(cc1OC1COC1)CCN2 257900921 573921266 /nfs/dbraw/zinc/92/12/66/573921266.db2.gz DLJCJNIHOPJDCT-UHFFFAOYSA-N 0 0 191.230 1.432 10 0 ADAERN O=CN[C@@H](c1ccccc1)C1CC1 84889077 573921267 /nfs/dbraw/zinc/92/12/67/573921267.db2.gz DDBIXZVIOZQERV-NSHDSACASA-N 0 0 175.231 1.884 10 0 ADAERN CC(=O)C[C@@H]1Cc2c(O)cccc2O1 258182250 573921274 /nfs/dbraw/zinc/92/12/74/573921274.db2.gz MZLPKYDRABNCTJ-MRVPVSSYSA-N 0 0 192.214 1.675 10 0 ADAERN Cc1cc([C@@H](C)O)c(C=O)cc1F 258182020 573921282 /nfs/dbraw/zinc/92/12/82/573921282.db2.gz WSRAHBGSSINSFF-SSDOTTSWSA-N 0 0 182.194 2.000 10 0 ADAERN CCC1(COC(=O)C2CC2)COC1 308464212 573921285 /nfs/dbraw/zinc/92/12/85/573921285.db2.gz IMELLLUXLZDYNN-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN CN(C=O)C1C2CC3CC(C2)CC1C3 84889012 573921999 /nfs/dbraw/zinc/92/19/99/573921999.db2.gz SVPMRQOOLNHUER-UHFFFAOYSA-N 0 0 193.290 1.899 10 0 ADAERN C[C@@H]1C[C@@]1(CO)c1cccnc1 259005829 573921304 /nfs/dbraw/zinc/92/13/04/573921304.db2.gz NKLMJULAHHAWKA-SCZZXKLOSA-N 0 0 163.220 1.352 10 0 ADAERN O=C([O-])CCCC1=CCC[NH2+]C1 257899967 573921307 /nfs/dbraw/zinc/92/13/07/573921307.db2.gz AKSGEGNBPDKRII-UHFFFAOYSA-N 0 0 169.224 1.161 10 0 ADAERN CC(=O)[C@@]12CC(C)(C)[C@@H]1C=CO2 238185995 573921325 /nfs/dbraw/zinc/92/13/25/573921325.db2.gz BUJAPQJRPWVSBI-WPRPVWTQSA-N 0 0 166.220 1.904 10 0 ADAERN O=CN[C@H]1CCOc2ccccc21 84889075 573921327 /nfs/dbraw/zinc/92/13/27/573921327.db2.gz WOUYRXWFVZTTDZ-VIFPVBQESA-N 0 0 177.203 1.256 10 0 ADAERN CCCOC[C@H](O)c1cnn(CC)c1 44653417 573921353 /nfs/dbraw/zinc/92/13/53/573921353.db2.gz LECZMZAFFAXDSM-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN COc1ccc([C@@]2(CO)C[C@@H]2C)cc1 259007335 573921361 /nfs/dbraw/zinc/92/13/61/573921361.db2.gz NPVSAWGNEAJXJB-JOYOIKCWSA-N 0 0 192.258 1.965 10 0 ADAERN CC(=O)N[C@@H]1CC[C@@H](C)[C@H]1C 84876946 573923422 /nfs/dbraw/zinc/92/34/22/573923422.db2.gz IRSVBWDQOMRUIT-ZXFLCMHBSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)n1oc(=O)c2c(N)cccc21 257901397 573921386 /nfs/dbraw/zinc/92/13/86/573921386.db2.gz YTMFPIYRWWRTNW-UHFFFAOYSA-N 0 0 192.218 1.758 10 0 ADAERN O=Cc1cncn1Cc1ccncc1 80928916 573921412 /nfs/dbraw/zinc/92/14/12/573921412.db2.gz PRDABBOOEFRVPZ-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN CC[C@H](O)n1nc2ccccc2n1 145077208 573921444 /nfs/dbraw/zinc/92/14/44/573921444.db2.gz LSWPEVZLCRUORN-VIFPVBQESA-N 0 0 177.207 1.332 10 0 ADAERN CCCOC[C@@H](O)CC(C)C 44653212 573921445 /nfs/dbraw/zinc/92/14/45/573921445.db2.gz XKEGANLQWICIFP-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CC(=O)N[C@H](CO)c1ccc(C)cc1 259238790 573921500 /nfs/dbraw/zinc/92/15/00/573921500.db2.gz KBHQXDPCVWKSRU-LLVKDONJSA-N 0 0 193.246 1.165 10 0 ADAERN CC1=CC(=O)N(CC2(C)CCC2)C1=O 235807330 573921502 /nfs/dbraw/zinc/92/15/02/573921502.db2.gz KRKVHUMBLXDAAT-UHFFFAOYSA-N 0 0 193.246 1.492 10 0 ADAERN C[C@]1(c2cccc(O)c2)CCC(=O)N1 257900461 573921509 /nfs/dbraw/zinc/92/15/09/573921509.db2.gz YRQXAWJJTKPBBP-LLVKDONJSA-N 0 0 191.230 1.517 10 0 ADAERN CC(C)(O)[C@@H]1O[C@H]1c1cccc(O)c1 238186875 573921536 /nfs/dbraw/zinc/92/15/36/573921536.db2.gz YFWKGBSMICEVPM-VHSXEESVSA-N 0 0 194.230 1.603 10 0 ADAERN O=C(OC1CCC1)[C@H]1CCCCCN1 80989872 573921559 /nfs/dbraw/zinc/92/15/59/573921559.db2.gz FIILKJLRIDXDGE-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN CCC(C)(C)OC(=O)[C@@H](C)N 238186577 573921564 /nfs/dbraw/zinc/92/15/64/573921564.db2.gz WUNJARMXNJNZBQ-ZCFIWIBFSA-N 0 0 159.229 1.065 10 0 ADAERN Cc1cccc2c1OCCN2CCO 84884290 573921567 /nfs/dbraw/zinc/92/15/67/573921567.db2.gz GAZQASRVYWPRCJ-UHFFFAOYSA-N 0 0 193.246 1.186 10 0 ADAERN C[C@H](O)[C@H](F)C[C@H]1CCCCO1 257900158 573921618 /nfs/dbraw/zinc/92/16/18/573921618.db2.gz OTIOVSKRRYYMJY-DJLDLDEBSA-N 0 0 176.231 1.665 10 0 ADAERN CCCOC[C@H](O)C1CCCC1 44653203 573921656 /nfs/dbraw/zinc/92/16/56/573921656.db2.gz IGMCENCHPNZBFA-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)(O)[C@@H]1CC[C@@H](CCO)C1 238185604 573921719 /nfs/dbraw/zinc/92/17/19/573921719.db2.gz QUKFVOHOYSEXOK-DTWKUNHWSA-N 0 0 172.268 1.556 10 0 ADAERN O=CNc1cccc2n[nH]cc12 84889034 573921726 /nfs/dbraw/zinc/92/17/26/573921726.db2.gz PHSGYYATDYCICZ-UHFFFAOYSA-N 0 0 161.164 1.131 10 0 ADAERN COC(=O)c1cc(OC2CCC2)c[nH]1 238386649 573921732 /nfs/dbraw/zinc/92/17/32/573921732.db2.gz WKRSRJUUTDDGRD-UHFFFAOYSA-N 0 0 195.218 1.733 10 0 ADAERN Cc1cc(F)cc(CCON)c1O 258181784 573922008 /nfs/dbraw/zinc/92/20/08/573922008.db2.gz WPRBTIJGUMFXIZ-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN CO[C@@H](C)Cn1nccc1C(C)=O 308463594 573921816 /nfs/dbraw/zinc/92/18/16/573921816.db2.gz IJCXFHKQFSUCOY-ZETCQYMHSA-N 0 0 182.223 1.121 10 0 ADAERN CCc1cc(N)cc(=O)n1C1CCC1 257900441 573921806 /nfs/dbraw/zinc/92/18/06/573921806.db2.gz YRMOHFHVDVETPI-UHFFFAOYSA-N 0 0 192.262 1.718 10 0 ADAERN CCOc1cccc(O)c1CCON 258181648 573921835 /nfs/dbraw/zinc/92/18/35/573921835.db2.gz WOELEZBPWWHVDZ-UHFFFAOYSA-N 0 0 197.234 1.224 10 0 ADAERN CC1(C)O[C@@H](CCO)C2(CC2)O1 238186432 573921842 /nfs/dbraw/zinc/92/18/42/573921842.db2.gz XNXJKZUFVXQPKU-ZETCQYMHSA-N 0 0 172.224 1.053 10 0 ADAERN CC(=O)[C@@]12CC(C)(C)[C@H]1C=CO2 238186011 573921849 /nfs/dbraw/zinc/92/18/49/573921849.db2.gz BUJAPQJRPWVSBI-SCZZXKLOSA-N 0 0 166.220 1.904 10 0 ADAERN CC1(C)CC(=O)[C@]2(C)C=CO[C@@H]12 238185852 573921856 /nfs/dbraw/zinc/92/18/56/573921856.db2.gz OICHTAYPIQXROV-WPRPVWTQSA-N 0 0 166.220 1.904 10 0 ADAERN COc1nnc(C(C)C)cc1N 257900654 573921877 /nfs/dbraw/zinc/92/18/77/573921877.db2.gz HRZNYFKVVZEPAZ-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN CCC1(C2CCC2)OCCO1 238186916 573921903 /nfs/dbraw/zinc/92/19/03/573921903.db2.gz XACYBJZSLVJXSL-UHFFFAOYSA-N 0 0 156.225 1.940 10 0 ADAERN CCCNC(=O)N(C)C1CCC1 127581581 573921914 /nfs/dbraw/zinc/92/19/14/573921914.db2.gz JPVYDXWSNJHPMH-UHFFFAOYSA-N 0 0 170.256 1.590 10 0 ADAERN CC(C)S[C@@H]1NC=CN1C 238186760 573921928 /nfs/dbraw/zinc/92/19/28/573921928.db2.gz UMCYDMXEASUUAN-SSDOTTSWSA-N 0 0 158.270 1.418 10 0 ADAERN CC1(C)C=CC[C@@](C)(O)C(=O)C1 238185691 573921942 /nfs/dbraw/zinc/92/19/42/573921942.db2.gz JRBGEUAEDHPXNF-SNVBAGLBSA-N 0 0 168.236 1.683 10 0 ADAERN CCC(CC)[C@@H]1CC[C@@H](O)O1 238187600 573923357 /nfs/dbraw/zinc/92/33/57/573923357.db2.gz RMSUZFPRPCPKRA-IUCAKERBSA-N 0 0 158.241 1.920 10 0 ADAERN CC[C@H](CO)[C@@H](CO)c1ccccc1 308463858 573923395 /nfs/dbraw/zinc/92/33/95/573923395.db2.gz DVYBIVLSKIVUPZ-ZYHUDNBSSA-N 0 0 194.274 1.781 10 0 ADAERN CONC1CCC(C)CC1 84882817 573923396 /nfs/dbraw/zinc/92/33/96/573923396.db2.gz WLDULQBIVHEZMN-UHFFFAOYSA-N 0 0 143.230 1.716 10 0 ADAERN COC(=O)[C@](C)(NC1CC1)C1CCC1 393597941 573923400 /nfs/dbraw/zinc/92/34/00/573923400.db2.gz LQLJKJRRKCLDOT-LLVKDONJSA-N 0 0 197.278 1.470 10 0 ADAERN O=Cc1noc(Cc2cccs2)n1 257900926 573923403 /nfs/dbraw/zinc/92/34/03/573923403.db2.gz DLXWMLDNBKBLGQ-UHFFFAOYSA-N 0 0 194.215 1.534 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccncc1 235800402 573923407 /nfs/dbraw/zinc/92/34/07/573923407.db2.gz IYNKBSSEGYNTKZ-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CCCNCC(=O)OC1CCCCC1 44626779 573922974 /nfs/dbraw/zinc/92/29/74/573922974.db2.gz BFOBWHPDNJUQLR-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CCC(=O)[C@H](C)[S@](=O)CC 84864304 573922983 /nfs/dbraw/zinc/92/29/83/573922983.db2.gz KWKHWUMMXFQZKV-WKEGUHRASA-N 0 0 162.254 1.123 10 0 ADAERN CCC(CC)[N@@H+]1CC[C@H](C)[C@H]1C(=O)[O-] 299908189 573923010 /nfs/dbraw/zinc/92/30/10/573923010.db2.gz IMHSJSGKQGJKCT-WPRPVWTQSA-N 0 0 199.294 1.970 10 0 ADAERN O=CNc1cccc2ncccc12 84889061 573923024 /nfs/dbraw/zinc/92/30/24/573923024.db2.gz MODGIVWBSKCBPL-UHFFFAOYSA-N 0 0 172.187 1.803 10 0 ADAERN CN1C(=O)NC[C@@H]1c1ccc(O)cc1 257900431 573923097 /nfs/dbraw/zinc/92/30/97/573923097.db2.gz YRIMPKIJWGGIBT-SECBINFHSA-N 0 0 192.218 1.088 10 0 ADAERN COC[C@@H]1CNc2ccc(O)cc2C1 257901384 573923105 /nfs/dbraw/zinc/92/31/05/573923105.db2.gz YTIDBYLCUMMZBS-QMMMGPOBSA-N 0 0 193.246 1.623 10 0 ADAERN O[C@H](CC1CCOCC1)C1CCC1 84888115 573923152 /nfs/dbraw/zinc/92/31/52/573923152.db2.gz XVSYZCDVYWFNNX-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1noc(NC(=O)OC(C)(C)C)n1 235803945 573923160 /nfs/dbraw/zinc/92/31/60/573923160.db2.gz NLBGNUHUMCBWSS-UHFFFAOYSA-N 0 0 199.210 1.725 10 0 ADAERN CN[C@H](N)c1cc(F)ccc1OC 259238822 573923192 /nfs/dbraw/zinc/92/31/92/573923192.db2.gz HQFWJHGCWZLWFR-VIFPVBQESA-N 0 0 184.214 1.011 10 0 ADAERN C/C=C/C[N@@H+]1CCCCC[C@H]1C(=O)[O-] 80992281 573923200 /nfs/dbraw/zinc/92/32/00/573923200.db2.gz SESXHJDUWWVOAO-PBKGFPTLSA-N 0 0 197.278 1.892 10 0 ADAERN CN1CCc2ccc(C(C)(C)O)cc21 257901346 573923210 /nfs/dbraw/zinc/92/32/10/573923210.db2.gz MMYOUSZMPZMIRL-UHFFFAOYSA-N 0 0 191.274 1.906 10 0 ADAERN CC1=C(C(C)(C)C)C(=O)NC1 238189161 573923231 /nfs/dbraw/zinc/92/32/31/573923231.db2.gz RMUGIWIZYIZFPO-UHFFFAOYSA-N 0 0 153.225 1.479 10 0 ADAERN CCCOC[C@@H](O)c1cncc(F)c1 44653341 573923232 /nfs/dbraw/zinc/92/32/32/573923232.db2.gz BUVNZDQBVRQNPB-SNVBAGLBSA-N 0 0 199.225 1.681 10 0 ADAERN Cc1nn(C)c(N)c1SC(C)C 238187357 573923251 /nfs/dbraw/zinc/92/32/51/573923251.db2.gz PQQGRVNNRVDNFA-UHFFFAOYSA-N 0 0 185.296 1.811 10 0 ADAERN CC(=O)[C@H]1C(C)[C@@H]1C(C)=O 238187848 573923276 /nfs/dbraw/zinc/92/32/76/573923276.db2.gz VXUHIJZLBKMBDZ-HTQZYQBOSA-N 0 0 140.182 1.047 10 0 ADAERN CCC1(CC)C[C@H](CO)OC1=O 103282627 573923308 /nfs/dbraw/zinc/92/33/08/573923308.db2.gz SAVHGFQRYHQZMU-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN CC1=C(C(=O)OC(C)(C)C)CC(=O)N1 238189021 573923311 /nfs/dbraw/zinc/92/33/11/573923311.db2.gz DORHRSILWDWNON-UHFFFAOYSA-N 0 0 197.234 1.122 10 0 ADAERN CC(C)C(=O)C=C(O)CC[C@H](C)O 238188394 573923317 /nfs/dbraw/zinc/92/33/17/573923317.db2.gz GPHQHYSUKCDTPX-QMMMGPOBSA-N 0 0 186.251 1.332 10 0 ADAERN CNOCCCc1ccc(OC)cc1 257900751 573923324 /nfs/dbraw/zinc/92/33/24/573923324.db2.gz HTPTYRLHPVFKMR-UHFFFAOYSA-N 0 0 195.262 1.779 10 0 ADAERN Cc1noc(NC(=O)C(F)F)c1C 235803468 573923336 /nfs/dbraw/zinc/92/33/36/573923336.db2.gz AOXNGAWZIXDILJ-UHFFFAOYSA-N 0 0 190.149 1.495 10 0 ADAERN Cn1c(CON)cc2ccccc21 258182184 573925421 /nfs/dbraw/zinc/92/54/21/573925421.db2.gz MXURDGBWQBKDQZ-UHFFFAOYSA-N 0 0 176.219 1.569 10 0 ADAERN O=CNc1cccc(-c2nnco2)c1 84889011 573925119 /nfs/dbraw/zinc/92/51/19/573925119.db2.gz LRPGAQYIUMZECQ-UHFFFAOYSA-N 0 0 189.174 1.305 10 0 ADAERN CC(C)[C@H](C)[N@H+](C)C1(C(=O)[O-])CCC1 308464780 573925821 /nfs/dbraw/zinc/92/58/21/573925821.db2.gz FWVGRGSXNAZSAJ-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[C@@H](C)Oc1ccc(N)c(N)n1 87467527 573925841 /nfs/dbraw/zinc/92/58/41/573925841.db2.gz KZUPNTBLTOPLFB-SSDOTTSWSA-N 0 0 195.266 1.669 10 0 ADAERN CCC(=O)[C@@H](C)[S@](=O)CC 84864300 573925135 /nfs/dbraw/zinc/92/51/35/573925135.db2.gz KWKHWUMMXFQZKV-LDWIPMOCSA-N 0 0 162.254 1.123 10 0 ADAERN CSc1ccc(O)c(CCO)c1 258181657 573925143 /nfs/dbraw/zinc/92/51/43/573925143.db2.gz WOEXZFNXBHABJP-UHFFFAOYSA-N 0 0 184.260 1.649 10 0 ADAERN NC1=NC(=O)N[C@@H]1CC1CCCCC1 87475193 573925926 /nfs/dbraw/zinc/92/59/26/573925926.db2.gz APSVDKLJILCCPC-MRVPVSSYSA-N 0 0 195.266 1.615 10 0 ADAERN CCc1nc2cc(NC=O)ccc2o1 84889038 573924299 /nfs/dbraw/zinc/92/42/99/573924299.db2.gz VMJCXVNFIPYHMD-UHFFFAOYSA-N 0 0 190.202 1.959 10 0 ADAERN CC(C)(O)c1ncccc1C=O 238195907 573924305 /nfs/dbraw/zinc/92/43/05/573924305.db2.gz NYSNHPUOFCFTHF-UHFFFAOYSA-N 0 0 165.192 1.122 10 0 ADAERN CCc1c(N)n[nH]c1[C@@H]1C[C@@H]1OC 690012868 573924306 /nfs/dbraw/zinc/92/43/06/573924306.db2.gz KYNFGKRVESYRFN-RQJHMYQMSA-N 0 0 181.239 1.057 10 0 ADAERN Cc1ccncc1[C@@H](O)[C@@H](O)C1CC1 235800559 573924325 /nfs/dbraw/zinc/92/43/25/573924325.db2.gz ZTKFVVBVWXBVHU-WDEREUQCSA-N 0 0 193.246 1.194 10 0 ADAERN COCCCCNc1ccncn1 44659287 573924350 /nfs/dbraw/zinc/92/43/50/573924350.db2.gz WBGFXMJVKFDQIQ-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@@H]1CC[C@@H]2C[C@@H]21 308463891 573924367 /nfs/dbraw/zinc/92/43/67/573924367.db2.gz HEFXPZPVMOTZGR-KXUCPTDWSA-N 0 0 197.278 1.582 10 0 ADAERN OC[C@H]1CCOc2cccc(O)c21 257901376 573924380 /nfs/dbraw/zinc/92/43/80/573924380.db2.gz OXGJAFXGBQQXPW-SSDOTTSWSA-N 0 0 180.203 1.251 10 0 ADAERN Cc1c(CO)c(C(C)C)nn1C 238187120 573924390 /nfs/dbraw/zinc/92/43/90/573924390.db2.gz GERJWLTYJJHBPZ-UHFFFAOYSA-N 0 0 168.240 1.344 10 0 ADAERN CC[N@@H+]1CCC=C(C(C)(C)C(=O)[O-])C1 257899989 573924394 /nfs/dbraw/zinc/92/43/94/573924394.db2.gz ALHAHGKSMGFLNT-UHFFFAOYSA-N 0 0 197.278 1.749 10 0 ADAERN CC1=C[C@@H](O)[C@H](C(C)C)C(=O)C1 238187163 573924400 /nfs/dbraw/zinc/92/44/00/573924400.db2.gz ORXOHVOZOHQUKA-SCZZXKLOSA-N 0 0 168.236 1.539 10 0 ADAERN COCC[C@H](C)C(=O)N(C)C1CC1 393571609 573924413 /nfs/dbraw/zinc/92/44/13/573924413.db2.gz YYUPTAIGQXFMIO-QMMMGPOBSA-N 0 0 185.267 1.280 10 0 ADAERN COCc1nc2c(s1)CCCC2=O 84887715 573924427 /nfs/dbraw/zinc/92/44/27/573924427.db2.gz YEJROHKQVMGSCQ-UHFFFAOYSA-N 0 0 197.259 1.809 10 0 ADAERN Cc1ccsc1NC(=O)C(C)(C)O 259011406 573924428 /nfs/dbraw/zinc/92/44/28/573924428.db2.gz RWYLEGHGEBHLHC-UHFFFAOYSA-N 0 0 199.275 1.766 10 0 ADAERN COc1cc(C(C)=O)c(C=O)cc1O 258181968 573924484 /nfs/dbraw/zinc/92/44/84/573924484.db2.gz WROSFBLICLFZAL-UHFFFAOYSA-N 0 0 194.186 1.416 10 0 ADAERN CC(=O)c1n[nH]c2c1CCCCC2 257900257 573924492 /nfs/dbraw/zinc/92/44/92/573924492.db2.gz OTWDQZQYGUDEIA-UHFFFAOYSA-N 0 0 178.235 1.881 10 0 ADAERN COC(C)(C)[C@H](CC(C)C)NN 127576331 573926372 /nfs/dbraw/zinc/92/63/72/573926372.db2.gz NKFKCEDEXYKAJI-QMMMGPOBSA-N 0 0 174.288 1.289 10 0 ADAERN O=S1(=O)C(C2CC2)=CN=C1Cl 257900871 573924504 /nfs/dbraw/zinc/92/45/04/573924504.db2.gz AJJBPFXESSVUPN-UHFFFAOYSA-N 0 0 191.639 1.261 10 0 ADAERN CCN1C[C@H](c2cccs2)NC1=O 259239580 573924525 /nfs/dbraw/zinc/92/45/25/573924525.db2.gz CVYYYSJZLWDIBF-SSDOTTSWSA-N 0 0 196.275 1.834 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]1C1CCCCC1 257900223 573924580 /nfs/dbraw/zinc/92/45/80/573924580.db2.gz OTNYROREVOHREU-RKDXNWHRSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1ncccc1C(=O)C(F)F 715213361 573924581 /nfs/dbraw/zinc/92/45/81/573924581.db2.gz UOJHSDCWPNRJIG-UHFFFAOYSA-N 0 0 171.146 1.838 10 0 ADAERN NOC[C@H](O)c1cccc(Cl)c1 257900564 573924586 /nfs/dbraw/zinc/92/45/86/573924586.db2.gz YSNWRDGSXQWICL-QMMMGPOBSA-N 0 0 187.626 1.264 10 0 ADAERN O[C@@H](CC1CCOCC1)C1CCC1 84888116 573924589 /nfs/dbraw/zinc/92/45/89/573924589.db2.gz XVSYZCDVYWFNNX-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN COC1(CC(=O)OC2CC2)CCC1 308463577 573924592 /nfs/dbraw/zinc/92/45/92/573924592.db2.gz IIVPNGINYQDEMS-UHFFFAOYSA-N 0 0 184.235 1.651 10 0 ADAERN CC(C)OC(=O)[C@H]1CCCCCN1 80989679 573924597 /nfs/dbraw/zinc/92/45/97/573924597.db2.gz CVEASYHRVIZBEX-SECBINFHSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@H]1CCC[C@H](Cn2nnnc2N)C1 235664349 573924627 /nfs/dbraw/zinc/92/46/27/573924627.db2.gz SMUACMAEXAWKAG-YUMQZZPRSA-N 0 0 195.270 1.082 10 0 ADAERN COC(=O)Nc1cccc(O)c1C 84844463 573924637 /nfs/dbraw/zinc/92/46/37/573924637.db2.gz LMOITQUCDOGDTK-UHFFFAOYSA-N 0 0 181.191 1.879 10 0 ADAERN Cc1ccc([C@@H](O)CO)cc1Cl 235806121 573924640 /nfs/dbraw/zinc/92/46/40/573924640.db2.gz FTVMUYXNBJXYPO-VIFPVBQESA-N 0 0 186.638 1.674 10 0 ADAERN CC(C)(O)[C@@]12C[C@@H]1CCC2=O 238188428 573924645 /nfs/dbraw/zinc/92/46/45/573924645.db2.gz VHZFLRJYSLONNN-RCOVLWMOSA-N 0 0 154.209 1.127 10 0 ADAERN COC(=O)[C@@H](C)N(C)C1CCC1 127579926 573924682 /nfs/dbraw/zinc/92/46/82/573924682.db2.gz BQDVPDLQORMGHA-SSDOTTSWSA-N 0 0 171.240 1.032 10 0 ADAERN CC1=NN(C(N)=O)[C@@H]2CCCC[C@@H]12 238188569 573924685 /nfs/dbraw/zinc/92/46/85/573924685.db2.gz LPBCDWGVJXLCLE-JGVFFNPUSA-N 0 0 181.239 1.315 10 0 ADAERN CC(F)(F)[C@](C[NH3+])(C(=O)[O-])C1CC1 257900415 573924690 /nfs/dbraw/zinc/92/46/90/573924690.db2.gz YRGWJDLOGFTBIZ-QMMMGPOBSA-N 0 0 193.193 1.081 10 0 ADAERN CN1C(=O)NC[C@H]1c1ccc(O)cc1 257900436 573924700 /nfs/dbraw/zinc/92/47/00/573924700.db2.gz YRIMPKIJWGGIBT-VIFPVBQESA-N 0 0 192.218 1.088 10 0 ADAERN CC(C)[C@H]1CC2(CC2)CNC1=O 238188105 573924703 /nfs/dbraw/zinc/92/47/03/573924703.db2.gz XXOBNUWNVGLKHH-MRVPVSSYSA-N 0 0 167.252 1.559 10 0 ADAERN CON[C@@H]1CC[C@H](C)[C@@H](C)C1 84882815 573924715 /nfs/dbraw/zinc/92/47/15/573924715.db2.gz YSCAIKVFHMVUNO-XHNCKOQMSA-N 0 0 157.257 1.962 10 0 ADAERN CC(C)[C@@H]1c2cc(O)ccc2O[C@H]1O 238187307 573924725 /nfs/dbraw/zinc/92/47/25/573924725.db2.gz IGGGGTUSTBVUMD-GHMZBOCLSA-N 0 0 194.230 1.843 10 0 ADAERN CCc1nn(C)c2ccc(O)cc12 257900469 573924729 /nfs/dbraw/zinc/92/47/29/573924729.db2.gz OVJDNQBAISKPSR-UHFFFAOYSA-N 0 0 176.219 1.841 10 0 ADAERN CC(C)NC(=O)c1nc(C(C)C)n[nH]1 87445668 573924732 /nfs/dbraw/zinc/92/47/32/573924732.db2.gz YKOSLVNEWITVPI-UHFFFAOYSA-N 0 0 196.254 1.066 10 0 ADAERN Cc1noc(NC(=O)C(C)(C)O)c1C 235803331 573924733 /nfs/dbraw/zinc/92/47/33/573924733.db2.gz SINYLWWSEKPJIP-UHFFFAOYSA-N 0 0 198.222 1.001 10 0 ADAERN C=CC(=O)N[C@@H]1CC[C@@H](C)[C@H]1C 84876842 573924736 /nfs/dbraw/zinc/92/47/36/573924736.db2.gz PKNCXQFDVUEBQD-IWSPIJDZSA-N 0 0 167.252 1.723 10 0 ADAERN CCOC(=O)/C(C)=C/c1cc(C)no1 400199111 573924762 /nfs/dbraw/zinc/92/47/62/573924762.db2.gz DDLAETLKGKPXBK-FNORWQNLSA-N 0 0 195.218 1.949 10 0 ADAERN CCCNCC(=O)OCC(C)C 44626896 573924774 /nfs/dbraw/zinc/92/47/74/573924774.db2.gz KOQCYQKNBKRJDE-UHFFFAOYSA-N 0 0 173.256 1.185 10 0 ADAERN CC(C)SC(=O)c1cc(N)no1 257900700 573924791 /nfs/dbraw/zinc/92/47/91/573924791.db2.gz KMRPZKBZPBJOBK-UHFFFAOYSA-N 0 0 186.236 1.539 10 0 ADAERN CC(F)(F)[C@@](C[NH3+])(C(=O)[O-])C1CC1 257900410 573924797 /nfs/dbraw/zinc/92/47/97/573924797.db2.gz YRGWJDLOGFTBIZ-MRVPVSSYSA-N 0 0 193.193 1.081 10 0 ADAERN Cc1ncccc1-c1c[nH]c(=O)cn1 715211964 573924812 /nfs/dbraw/zinc/92/48/12/573924812.db2.gz MNOUETPQQGZGNU-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CC(C)C(=O)C1(C)COCOC1 238187531 573924840 /nfs/dbraw/zinc/92/48/40/573924840.db2.gz IOEOEEXHXZKVLM-UHFFFAOYSA-N 0 0 172.224 1.222 10 0 ADAERN COc1ccn2c([C@@H](C)O)ncc2c1 257900592 573924871 /nfs/dbraw/zinc/92/48/71/573924871.db2.gz YSWQKPXLWMUDRE-SSDOTTSWSA-N 0 0 192.218 1.396 10 0 ADAERN C[C@@H]1CC[C@H](N2C[C@H](O)CC2=O)[C@@H]1C 84876984 573924878 /nfs/dbraw/zinc/92/48/78/573924878.db2.gz KTWQTBYFSFOCOT-KYXWUPHJSA-N 0 0 197.278 1.014 10 0 ADAERN CC1(C)O[C@@H]2C(=O)CC=C[C@H]2O1 238187102 573924881 /nfs/dbraw/zinc/92/48/81/573924881.db2.gz CSMYFOQNWBXUAS-HTQZYQBOSA-N 0 0 168.192 1.036 10 0 ADAERN OC[C@@H]1CCN2CCC[C@H]2C1(F)F 257900590 573924884 /nfs/dbraw/zinc/92/48/84/573924884.db2.gz YSVUCLRDPISETO-YUMQZZPRSA-N 0 0 191.221 1.098 10 0 ADAERN CCC(CC)[C@H](NN)[C@H]1C[C@H]1C 253007821 573924907 /nfs/dbraw/zinc/92/49/07/573924907.db2.gz OZQKFHINIBRQMI-JEZHCXPESA-N 0 0 170.300 1.911 10 0 ADAERN C/C=C(/CCC(C)=O)C(=O)OC 223576325 573924928 /nfs/dbraw/zinc/92/49/28/573924928.db2.gz OZIMMFCDUSRYDV-YWEYNIOJSA-N 0 0 170.208 1.475 10 0 ADAERN C[C@@]1(c2cccc(O)c2)CCC(=O)N1 257900466 573924929 /nfs/dbraw/zinc/92/49/29/573924929.db2.gz YRQXAWJJTKPBBP-NSHDSACASA-N 0 0 191.230 1.517 10 0 ADAERN CCOC(=O)/C(C)=C\c1cc(C)no1 400199110 573924931 /nfs/dbraw/zinc/92/49/31/573924931.db2.gz DDLAETLKGKPXBK-ALCCZGGFSA-N 0 0 195.218 1.949 10 0 ADAERN CC1=NC[C@@H]2CC(=O)[C@@]12C 238188192 573924937 /nfs/dbraw/zinc/92/49/37/573924937.db2.gz QUPOSVNOHKJRMJ-XPUUQOCRSA-N 0 0 137.182 1.056 10 0 ADAERN COc1ccc2c(c1)CCCN2C=O 84889073 573924947 /nfs/dbraw/zinc/92/49/47/573924947.db2.gz OXRDWKFNSMZHKP-UHFFFAOYSA-N 0 0 191.230 1.604 10 0 ADAERN CC1(C)CC(C)(C)C1NC=O 238187349 573924957 /nfs/dbraw/zinc/92/49/57/573924957.db2.gz FQDFEJPQYYCRCR-UHFFFAOYSA-N 0 0 155.241 1.557 10 0 ADAERN COCC(=O)Nc1cccc(O)c1C 84844452 573924964 /nfs/dbraw/zinc/92/49/64/573924964.db2.gz AZYYUIZLQRKLBM-UHFFFAOYSA-N 0 0 195.218 1.286 10 0 ADAERN O=C1CC2(CCSCC2)C2(CC2)N1 257900474 573924965 /nfs/dbraw/zinc/92/49/65/573924965.db2.gz YRUZVLYPHFADDH-UHFFFAOYSA-N 0 0 197.303 1.552 10 0 ADAERN COc1ccn2c([C@H](C)O)ncc2c1 257900593 573924970 /nfs/dbraw/zinc/92/49/70/573924970.db2.gz YSWQKPXLWMUDRE-ZETCQYMHSA-N 0 0 192.218 1.396 10 0 ADAERN Cc1nc(N)ncc1SC(C)C 238188420 573924971 /nfs/dbraw/zinc/92/49/71/573924971.db2.gz CQCDKXAIXKCHNN-UHFFFAOYSA-N 0 0 183.280 1.868 10 0 ADAERN NC1(C(F)(F)c2ccc(O)cc2)CC1 257901093 573925042 /nfs/dbraw/zinc/92/50/42/573925042.db2.gz VSWLQJGVSQINTB-UHFFFAOYSA-N 0 0 199.200 1.975 10 0 ADAERN CCn1cc([C@H]2CCC(=O)[C@H]2C)cn1 84870064 573925010 /nfs/dbraw/zinc/92/50/10/573925010.db2.gz NKIPDGRGYLYYMF-WPRPVWTQSA-N 0 0 192.262 1.986 10 0 ADAERN CCCCOC(=O)[C@]1(C)CCCCN1 127585624 573926319 /nfs/dbraw/zinc/92/63/19/573926319.db2.gz SFQZXJQVXSDPKQ-NSHDSACASA-N 0 0 199.294 1.862 10 0 ADAERN COc1cccc2occ(CON)c12 258182197 573925030 /nfs/dbraw/zinc/92/50/30/573925030.db2.gz MYIYMBSMLZZOMN-UHFFFAOYSA-N 0 0 193.202 1.832 10 0 ADAERN CC1=NN(C(N)=O)[C@H]2CCCC[C@H]12 238188621 573925034 /nfs/dbraw/zinc/92/50/34/573925034.db2.gz LPBCDWGVJXLCLE-SFYZADRCSA-N 0 0 181.239 1.315 10 0 ADAERN CC(C)CCN1CCC[C@@H](O)C1=O 259583302 573925054 /nfs/dbraw/zinc/92/50/54/573925054.db2.gz ZMYYDZBPBWZEFS-SECBINFHSA-N 0 0 185.267 1.016 10 0 ADAERN CO[C@H](C)Cn1nccc1C(C)=O 308463590 573925090 /nfs/dbraw/zinc/92/50/90/573925090.db2.gz IJCXFHKQFSUCOY-SSDOTTSWSA-N 0 0 182.223 1.121 10 0 ADAERN C[C@@H]1CN=C(Cl)S1 145097651 573925094 /nfs/dbraw/zinc/92/50/94/573925094.db2.gz PTOAWAAPKXOFQA-GSVOUGTGSA-N 0 0 135.619 1.717 10 0 ADAERN CCc1c(N)n[nH]c1[C@H]1C[C@@H]1OC 690012860 573925096 /nfs/dbraw/zinc/92/50/96/573925096.db2.gz KYNFGKRVESYRFN-BQBZGAKWSA-N 0 0 181.239 1.057 10 0 ADAERN C[C@H]1CCC[C@@H](C2=NCC(=O)N2)C1 235663794 573925103 /nfs/dbraw/zinc/92/51/03/573925103.db2.gz WDTBVHDIEHXOCT-JGVFFNPUSA-N 0 0 180.251 1.341 10 0 ADAERN CCNC(=O)Nc1cccc(O)c1C 84844474 573925112 /nfs/dbraw/zinc/92/51/12/573925112.db2.gz QXWIZZSSWFLDNU-UHFFFAOYSA-N 0 0 194.234 1.842 10 0 ADAERN CC1=NN(C(N)=O)[C@@H]2CCCC[C@H]12 238188552 573925126 /nfs/dbraw/zinc/92/51/26/573925126.db2.gz LPBCDWGVJXLCLE-HTQZYQBOSA-N 0 0 181.239 1.315 10 0 ADAERN OC[C@@H]1CCOc2cccc(O)c21 257901377 573925129 /nfs/dbraw/zinc/92/51/29/573925129.db2.gz OXGJAFXGBQQXPW-ZETCQYMHSA-N 0 0 180.203 1.251 10 0 ADAERN O=CNc1ccc(-c2nnco2)cc1 84889010 573925149 /nfs/dbraw/zinc/92/51/49/573925149.db2.gz AEAKQAILLURFNL-UHFFFAOYSA-N 0 0 189.174 1.305 10 0 ADAERN Cc1c(O)cccc1NC(N)=O 84844476 573925154 /nfs/dbraw/zinc/92/51/54/573925154.db2.gz JSFQOGGJEOONTM-UHFFFAOYSA-N 0 0 166.180 1.191 10 0 ADAERN Cc1noc(NC(=O)CCCO)c1C 235803721 573925160 /nfs/dbraw/zinc/92/51/60/573925160.db2.gz ZAUXQYSUHACJPY-UHFFFAOYSA-N 0 0 198.222 1.002 10 0 ADAERN CCCOCCNC(=O)C=C(C)C 715062311 573925163 /nfs/dbraw/zinc/92/51/63/573925163.db2.gz OUUNHAZFDWWNRR-UHFFFAOYSA-N 0 0 185.267 1.495 10 0 ADAERN CCC(CC)[C@@H]1CC[C@H](O)O1 238187619 573925168 /nfs/dbraw/zinc/92/51/68/573925168.db2.gz RMSUZFPRPCPKRA-DTWKUNHWSA-N 0 0 158.241 1.920 10 0 ADAERN CC(C)n1ncc(N)c1CN(C)C 257900841 573925179 /nfs/dbraw/zinc/92/51/79/573925179.db2.gz KPPCUEHRDJCWDG-UHFFFAOYSA-N 0 0 182.271 1.108 10 0 ADAERN Cc1nn(C(C)C)c2ncc(N)cc12 238188301 573925181 /nfs/dbraw/zinc/92/51/81/573925181.db2.gz HPDKWSIQIXTPIC-UHFFFAOYSA-N 0 0 190.250 1.903 10 0 ADAERN CC[C@@H](CO)[C@@H](CO)c1ccccc1 308463852 573925189 /nfs/dbraw/zinc/92/51/89/573925189.db2.gz DVYBIVLSKIVUPZ-CMPLNLGQSA-N 0 0 194.274 1.781 10 0 ADAERN CC(C)C[C@H](NN)[C@H]1OCC[C@H]1C 253007687 573925195 /nfs/dbraw/zinc/92/51/95/573925195.db2.gz OUUXROLMCZTWRT-UTLUCORTSA-N 0 0 186.299 1.289 10 0 ADAERN CC1CCC(N(C)C=O)CC1 84887958 573925206 /nfs/dbraw/zinc/92/52/06/573925206.db2.gz LBQHGGHNABEBIH-UHFFFAOYSA-N 0 0 155.241 1.653 10 0 ADAERN CCCc1nnc([C@H](C)COC)o1 308465005 573926373 /nfs/dbraw/zinc/92/63/73/573926373.db2.gz IUFLDBNEHREVRL-SSDOTTSWSA-N 0 0 184.239 1.772 10 0 ADAERN CCn1c(N)cnc1C[NH+]1CCCC1 257900333 573925210 /nfs/dbraw/zinc/92/52/10/573925210.db2.gz NYYCZQWQUFULMN-UHFFFAOYSA-N 0 0 194.282 1.081 10 0 ADAERN CC1=CC(=O)N(C(C)(C)C2CC2)C1=O 235806391 573925228 /nfs/dbraw/zinc/92/52/28/573925228.db2.gz MAILSUGAWBHEDD-UHFFFAOYSA-N 0 0 193.246 1.490 10 0 ADAERN CC1(C(=O)CC2OCCO2)CC1 238188852 573925235 /nfs/dbraw/zinc/92/52/35/573925235.db2.gz MWCMQRNIBKFYCD-UHFFFAOYSA-N 0 0 170.208 1.119 10 0 ADAERN Cc1cccc(-c2nc[nH]n2)n1 103231370 573925237 /nfs/dbraw/zinc/92/52/37/573925237.db2.gz FROWTTVEPOUWQS-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN COCCONC[C@H](C)CC(F)F 688727604 573925243 /nfs/dbraw/zinc/92/52/43/573925243.db2.gz OMTSXRCNGUQGSD-SSDOTTSWSA-N 0 0 197.225 1.445 10 0 ADAERN CC(C)c1nnc(NC(N)=O)s1 238189190 573925265 /nfs/dbraw/zinc/92/52/65/573925265.db2.gz KKMLWZWILHYPJK-UHFFFAOYSA-N 0 0 186.240 1.152 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@@H]1CC[C@H]2C[C@H]21 308463889 573925267 /nfs/dbraw/zinc/92/52/67/573925267.db2.gz HEFXPZPVMOTZGR-IVZWLZJFSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1cc([C@H](C)O)c(C=O)cc1F 258182023 573925268 /nfs/dbraw/zinc/92/52/68/573925268.db2.gz WSRAHBGSSINSFF-ZETCQYMHSA-N 0 0 182.194 2.000 10 0 ADAERN COCCOCCn1c(C)ccc1C 44727601 573925281 /nfs/dbraw/zinc/92/52/81/573925281.db2.gz FRAGLTBJIFQMAU-UHFFFAOYSA-N 0 0 197.278 1.768 10 0 ADAERN CC(=O)NC(C)(C)C(=O)C(C)C 238187194 573925296 /nfs/dbraw/zinc/92/52/96/573925296.db2.gz NVPXDJNFOHMDNB-UHFFFAOYSA-N 0 0 171.240 1.126 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@H]1C1CCCCC1 257900206 573925300 /nfs/dbraw/zinc/92/53/00/573925300.db2.gz OTNYROREVOHREU-BDAKNGLRSA-N 0 0 183.251 1.239 10 0 ADAERN CC(C)[C@H]1CC(=O)[C@@H]2O[C@@H]2C1 238187342 573925303 /nfs/dbraw/zinc/92/53/03/573925303.db2.gz WRXIEYRZVMQBAF-ZQARSLAVSA-N 0 0 154.209 1.389 10 0 ADAERN COC[C@H]1CNc2ccc(O)cc2C1 257901383 573925320 /nfs/dbraw/zinc/92/53/20/573925320.db2.gz YTIDBYLCUMMZBS-MRVPVSSYSA-N 0 0 193.246 1.623 10 0 ADAERN CC(=O)[C@@]12CC[C@@](C)(COC1)C2 238189261 573925328 /nfs/dbraw/zinc/92/53/28/573925328.db2.gz BMRXPJDJKSEUES-NXEZZACHSA-N 0 0 168.236 1.782 10 0 ADAERN CC1=NC(=O)c2ccccc2NC1 238187402 573925352 /nfs/dbraw/zinc/92/53/52/573925352.db2.gz FUSCFSZAOUHNPW-UHFFFAOYSA-N 0 0 174.203 1.713 10 0 ADAERN CCSCc1cncn1C 258182185 573925358 /nfs/dbraw/zinc/92/53/58/573925358.db2.gz MXWWHEBYFPAQIB-UHFFFAOYSA-N 0 0 156.254 1.673 10 0 ADAERN CC(C)[C@@H](C)OC[C@@H](C)O 87469833 573925370 /nfs/dbraw/zinc/92/53/70/573925370.db2.gz NCEUWTRSLKWAFL-HTQZYQBOSA-N 0 0 146.230 1.428 10 0 ADAERN C[C@H]([NH3+])c1nc(C2CCC2)c[nH]1 259009962 573925404 /nfs/dbraw/zinc/92/54/04/573925404.db2.gz CYBNGGODXCINRO-LURJTMIESA-N 0 0 165.240 1.697 10 0 ADAERN CC1(C)CC(C)(C)[C@@H](O)O1 238187678 573925410 /nfs/dbraw/zinc/92/54/10/573925410.db2.gz KJYRLLOAGZKGSZ-LURJTMIESA-N 0 0 144.214 1.530 10 0 ADAERN CC(C)Cn1nc(N)c2c1CN(C)C2 257900230 573925430 /nfs/dbraw/zinc/92/54/30/573925430.db2.gz YOVYHVOAHKAFPV-UHFFFAOYSA-N 0 0 194.282 1.067 10 0 ADAERN CSC(=O)c1cnn(C(C)C)c1N 257900802 573925439 /nfs/dbraw/zinc/92/54/39/573925439.db2.gz KOTUQNQAJJLKDE-UHFFFAOYSA-N 0 0 199.279 1.549 10 0 ADAERN CC(=O)[C@@]12CC[C@@H](C[C@@H]1O)C2 238189097 573925447 /nfs/dbraw/zinc/92/54/47/573925447.db2.gz PNXAXQCGTYWJHI-CIUDSAMLSA-N 0 0 154.209 1.127 10 0 ADAERN CN(c1ccccc1N)C(C)(C)CO 123087592 573925501 /nfs/dbraw/zinc/92/55/01/573925501.db2.gz AMOYOGTZTQNWDT-UHFFFAOYSA-N 0 0 194.278 1.476 10 0 ADAERN C[C@H](O)[C@@H](F)C[C@@H]1CCCCO1 257900154 573925518 /nfs/dbraw/zinc/92/55/18/573925518.db2.gz OTIOVSKRRYYMJY-CIUDSAMLSA-N 0 0 176.231 1.665 10 0 ADAERN CC(C)C(=O)C=CN 238188793 573925542 /nfs/dbraw/zinc/92/55/42/573925542.db2.gz GSRCPZPRIXMDJA-UHFFFAOYSA-N 0 0 113.160 1.251 10 0 ADAERN CCOC[C@@H](C)n1cccc1C=O 44727581 573925552 /nfs/dbraw/zinc/92/55/52/573925552.db2.gz HOMHVTJLFVXKHW-SECBINFHSA-N 0 0 181.235 1.898 10 0 ADAERN Cc1ccc([C@@](C)(C[NH3+])C(=O)[O-])cc1 235807268 573925556 /nfs/dbraw/zinc/92/55/56/573925556.db2.gz GPMHLGMBCSVBMT-LLVKDONJSA-N 0 0 193.246 1.296 10 0 ADAERN COc1ccc(O)c2c1OCCO2 103303178 573925576 /nfs/dbraw/zinc/92/55/76/573925576.db2.gz CMDVYQCQFDHFLB-UHFFFAOYSA-N 0 0 182.175 1.172 10 0 ADAERN CCCCCCN1C(=O)[C@@H](C)N[C@@H]1C 127605294 573925616 /nfs/dbraw/zinc/92/56/16/573925616.db2.gz MLJAOUGGIHTMLE-ZJUUUORDSA-N 0 0 198.310 1.733 10 0 ADAERN CC1=NC[C@H]2CC(=O)[C@@]12C 238188300 573925591 /nfs/dbraw/zinc/92/55/91/573925591.db2.gz QUPOSVNOHKJRMJ-SVRRBLITSA-N 0 0 137.182 1.056 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+]C1(C)CCCC1 42186847 573925609 /nfs/dbraw/zinc/92/56/09/573925609.db2.gz RSTCHQQZPMEKTB-MRVPVSSYSA-N 0 0 185.267 1.772 10 0 ADAERN C=CC1=NC(=S)NC(C)(C)C1 238187960 573925620 /nfs/dbraw/zinc/92/56/20/573925620.db2.gz YVTPGWAAJUKPRY-UHFFFAOYSA-N 0 0 168.265 1.670 10 0 ADAERN CCO[C@@H]1C[C@@H]1[C@H](O)C=C(C)C 689898489 573925629 /nfs/dbraw/zinc/92/56/29/573925629.db2.gz ZMHYWTKYARIJRH-OPRDCNLKSA-N 0 0 170.252 1.739 10 0 ADAERN CCc1ccnc(CCC(C)=O)n1 259240283 573926360 /nfs/dbraw/zinc/92/63/60/573926360.db2.gz ZLUABWVMRZNHGX-UHFFFAOYSA-N 0 0 178.235 1.561 10 0 ADAERN CCO[C@@H]1C[C@@H]1[C@@H](O)C=C(C)C 689898471 573925731 /nfs/dbraw/zinc/92/57/31/573925731.db2.gz ZMHYWTKYARIJRH-KXUCPTDWSA-N 0 0 170.252 1.739 10 0 ADAERN CC(C)CCN1CCC[C@H](O)C1=O 259583303 573925732 /nfs/dbraw/zinc/92/57/32/573925732.db2.gz ZMYYDZBPBWZEFS-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN CCC[C@@H](C(=O)[O-])[N@H+](C)C1CCC1 127595436 573925735 /nfs/dbraw/zinc/92/57/35/573925735.db2.gz SVRUENGOGXPDAD-VIFPVBQESA-N 0 0 185.267 1.724 10 0 ADAERN CC(C)C(=O)OC1CCC(O)CC1 238198468 573925778 /nfs/dbraw/zinc/92/57/78/573925778.db2.gz NLKNJDDIKPDMBK-UHFFFAOYSA-N 0 0 186.251 1.489 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)CCOC2 257961480 573925788 /nfs/dbraw/zinc/92/57/88/573925788.db2.gz GWQYTSGJXFHSQO-MRVPVSSYSA-N 0 0 178.231 1.813 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@H+](C)C1CCC1 127585489 573925802 /nfs/dbraw/zinc/92/58/02/573925802.db2.gz QEVNTVKNAPAMQW-HTQZYQBOSA-N 0 0 185.267 1.580 10 0 ADAERN OCc1nccc(-c2cccs2)n1 259010184 573925815 /nfs/dbraw/zinc/92/58/15/573925815.db2.gz FCVZSHBANJKNSF-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN CC1(C)CC(C)(C)[C@H](O)O1 238187775 573925818 /nfs/dbraw/zinc/92/58/18/573925818.db2.gz KJYRLLOAGZKGSZ-ZCFIWIBFSA-N 0 0 144.214 1.530 10 0 ADAERN CCC(=O)C(=O)Nc1ccc(C)cc1 238189087 573925820 /nfs/dbraw/zinc/92/58/20/573925820.db2.gz FCDLQBRKRUAGFF-UHFFFAOYSA-N 0 0 191.230 1.913 10 0 ADAERN CC1=C(C(C)(C)C)CNC1=O 238189245 573925829 /nfs/dbraw/zinc/92/58/29/573925829.db2.gz YOCJFIACSHASCL-UHFFFAOYSA-N 0 0 153.225 1.479 10 0 ADAERN CN[C@H](C)C(=O)O[C@H](C)C(C)C 87468111 573925831 /nfs/dbraw/zinc/92/58/31/573925831.db2.gz NAFGUMDVYVQBCF-HTQZYQBOSA-N 0 0 173.256 1.182 10 0 ADAERN CCn1c(=O)c2cccc(O)c2n1C 257901523 573925845 /nfs/dbraw/zinc/92/58/45/573925845.db2.gz YVLXOJYCYUFRCA-UHFFFAOYSA-N 0 0 192.218 1.066 10 0 ADAERN CC[C@H](C)[C@@H](C)C(=O)C(=O)OC 716413544 573925850 /nfs/dbraw/zinc/92/58/50/573925850.db2.gz KRNFRPHRSWYTKI-NKWVEPMBSA-N 0 0 172.224 1.411 10 0 ADAERN CC(C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2C1 238187114 573925871 /nfs/dbraw/zinc/92/58/71/573925871.db2.gz YILPJEBLOPVZOL-RGOKHQFPSA-N 0 0 170.252 1.571 10 0 ADAERN CC1=NC(=O)N[C@H](c2ccco2)C1 238187270 573925898 /nfs/dbraw/zinc/92/58/98/573925898.db2.gz CRIFWXIVBDYSIV-ZETCQYMHSA-N 0 0 178.191 1.895 10 0 ADAERN C[C@H](O)C(F)(F)[C@H]1CCCN1C 257901418 573925899 /nfs/dbraw/zinc/92/58/99/573925899.db2.gz OXWCPVDIRBNOCS-NKWVEPMBSA-N 0 0 179.210 1.097 10 0 ADAERN CCO[C@@H]1C[C@H]1[C@H](O)C=C(C)C 689898464 573925908 /nfs/dbraw/zinc/92/59/08/573925908.db2.gz ZMHYWTKYARIJRH-IVZWLZJFSA-N 0 0 170.252 1.739 10 0 ADAERN CC[C@@H](C[C@@H](C)O)Nc1ncccn1 716854906 573925930 /nfs/dbraw/zinc/92/59/30/573925930.db2.gz KRMHNHJMMQIFBD-BDAKNGLRSA-N 0 0 195.266 1.438 10 0 ADAERN CC1(C)CC(C)(C)N(O)[C@@H]1O 238187459 573925933 /nfs/dbraw/zinc/92/59/33/573925933.db2.gz XFJFJDUEKVRBTR-ZCFIWIBFSA-N 0 0 159.229 1.205 10 0 ADAERN CC(C)n1ncc2cc(O)cnc21 238189114 573925947 /nfs/dbraw/zinc/92/59/47/573925947.db2.gz CBFQYBJEJNSDRR-UHFFFAOYSA-N 0 0 177.207 1.718 10 0 ADAERN COc1ccc2c(c1)CCN2C=O 223569830 573925950 /nfs/dbraw/zinc/92/59/50/573925950.db2.gz LCPYOQPGDQKJIC-UHFFFAOYSA-N 0 0 177.203 1.214 10 0 ADAERN CCCCCCN1C(=O)[C@H](C)N[C@H]1C 127605527 573925960 /nfs/dbraw/zinc/92/59/60/573925960.db2.gz MLJAOUGGIHTMLE-VHSXEESVSA-N 0 0 198.310 1.733 10 0 ADAERN CC[C@@H](C)[C@@H](C)C(=O)C(=O)OC 716413547 573925964 /nfs/dbraw/zinc/92/59/64/573925964.db2.gz KRNFRPHRSWYTKI-RNFRBKRXSA-N 0 0 172.224 1.411 10 0 ADAERN CC1=NC[C@@H]2CC(=O)[C@]12C 238188168 573925970 /nfs/dbraw/zinc/92/59/70/573925970.db2.gz QUPOSVNOHKJRMJ-POYBYMJQSA-N 0 0 137.182 1.056 10 0 ADAERN C[C@@H]1Nc2c(N)cccc2SC1=O 259241180 573925977 /nfs/dbraw/zinc/92/59/77/573925977.db2.gz NBWCVZYDKHLPDE-YFKPBYRVSA-N 0 0 194.259 1.702 10 0 ADAERN COCC(=O)OC[C@@H]1C[C@H]1C(C)C 308464917 573925998 /nfs/dbraw/zinc/92/59/98/573925998.db2.gz IRVSFUCDHKMCQU-IUCAKERBSA-N 0 0 186.251 1.468 10 0 ADAERN CC[C@H](C[C@@H](C)O)Nc1ncccn1 716854909 573926013 /nfs/dbraw/zinc/92/60/13/573926013.db2.gz KRMHNHJMMQIFBD-RKDXNWHRSA-N 0 0 195.266 1.438 10 0 ADAERN CCCC1=C(C(=O)[O-])CC[NH2+]C1 258520957 573926015 /nfs/dbraw/zinc/92/60/15/573926015.db2.gz MFBUGXDJGLAFNZ-UHFFFAOYSA-N 0 0 169.224 1.161 10 0 ADAERN CC1=NC[C@H]2CC(=O)[C@]12C 238188284 573926016 /nfs/dbraw/zinc/92/60/16/573926016.db2.gz QUPOSVNOHKJRMJ-HTRCEHHLSA-N 0 0 137.182 1.056 10 0 ADAERN CC(C)[C@H](C)OC[C@H](C)O 87469836 573926024 /nfs/dbraw/zinc/92/60/24/573926024.db2.gz NCEUWTRSLKWAFL-YUMQZZPRSA-N 0 0 146.230 1.428 10 0 ADAERN O=C1NCC[C@]12CCCCS2 257901461 573926046 /nfs/dbraw/zinc/92/60/46/573926046.db2.gz OYYSBCDDHUFGDZ-MRVPVSSYSA-N 0 0 171.265 1.162 10 0 ADAERN Cc1nn(C(C)C)c(C)c1NC(N)=O 238188213 573926049 /nfs/dbraw/zinc/92/60/49/573926049.db2.gz YOOGNVOEDLXEGB-UHFFFAOYSA-N 0 0 196.254 1.571 10 0 ADAERN CC(C)C(=O)C1=NC(C)(C)CO1 238187851 573926051 /nfs/dbraw/zinc/92/60/51/573926051.db2.gz GWSAYPWANQXXOE-UHFFFAOYSA-N 0 0 169.224 1.419 10 0 ADAERN CC[C@@H](C[C@H](C)O)Nc1ncccn1 716854908 573926057 /nfs/dbraw/zinc/92/60/57/573926057.db2.gz KRMHNHJMMQIFBD-IUCAKERBSA-N 0 0 195.266 1.438 10 0 ADAERN Cc1[n-]n(-c2ccccn2)c(=O)c1C 103260063 573926066 /nfs/dbraw/zinc/92/60/66/573926066.db2.gz IXVIXLGVKMWDAD-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN Cc1nc(CC2(O)COC2)c(C)s1 642824596 573926079 /nfs/dbraw/zinc/92/60/79/573926079.db2.gz MYVRXMJKWQPYLZ-UHFFFAOYSA-N 0 0 199.275 1.064 10 0 ADAERN CC(C)(O)[C@@H]1Cc2c(O)cccc2O1 238187523 573926104 /nfs/dbraw/zinc/92/61/04/573926104.db2.gz LLMZPDBBGZIQRN-JTQLQIEISA-N 0 0 194.230 1.467 10 0 ADAERN OCC(F)(F)c1ccc[nH]1 259011663 573926107 /nfs/dbraw/zinc/92/61/07/573926107.db2.gz OEFXDSWFYIPYSC-UHFFFAOYSA-N 0 0 147.124 1.099 10 0 ADAERN C[C@@]1(C(=O)OCC2CC2)CCCCN1 127587697 573926385 /nfs/dbraw/zinc/92/63/85/573926385.db2.gz JZGBXAOXFZVNDA-NSHDSACASA-N 0 0 197.278 1.472 10 0 ADAERN CCCC[C@H](CC1CC1)NN 127605510 573926133 /nfs/dbraw/zinc/92/61/33/573926133.db2.gz HYCHZGYXFBQFQJ-SECBINFHSA-N 0 0 156.273 1.809 10 0 ADAERN CC1=NNC(=O)[C@@H]1c1cccc(C)c1 103376709 573926157 /nfs/dbraw/zinc/92/61/57/573926157.db2.gz HGAUJBYXWLGCTR-JTQLQIEISA-N 0 0 188.230 1.584 10 0 ADAERN C[N@@H+]1CCC[C@@H](C(C)(C)CC(=O)[O-])C1 259242615 573926183 /nfs/dbraw/zinc/92/61/83/573926183.db2.gz NGRWSJRPMTWPRM-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN CC(C)[C@@H](C)OC1CC(=O)C1 87471101 573926190 /nfs/dbraw/zinc/92/61/90/573926190.db2.gz KFZNGGJYBGYVOY-SSDOTTSWSA-N 0 0 156.225 1.779 10 0 ADAERN CC1=NC(=O)N[C@@H](c2ccco2)C1 238187226 573926191 /nfs/dbraw/zinc/92/61/91/573926191.db2.gz CRIFWXIVBDYSIV-SSDOTTSWSA-N 0 0 178.191 1.895 10 0 ADAERN CN(C#N)Cc1ccc2c(c1)OCO2 259240698 573926195 /nfs/dbraw/zinc/92/61/95/573926195.db2.gz LNZLUOQCQMRHEP-UHFFFAOYSA-N 0 0 190.202 1.328 10 0 ADAERN C[C@H]1CNc2cc(N)ccc2N(C)C1 259241221 573926235 /nfs/dbraw/zinc/92/62/35/573926235.db2.gz NCABIYGJCBTYQE-QMMMGPOBSA-N 0 0 191.278 1.767 10 0 ADAERN CCCCCC[C@@]1(C)NCC(=O)N1 308464899 573926249 /nfs/dbraw/zinc/92/62/49/573926249.db2.gz IRNXCCUMLMCQNZ-JTQLQIEISA-N 0 0 184.283 1.392 10 0 ADAERN [NH3+][C@H](CCCC(=O)[O-])C1CCCC1 259583339 573926252 /nfs/dbraw/zinc/92/62/52/573926252.db2.gz ZHYMEFHFCAJCNN-SECBINFHSA-N 0 0 185.267 1.759 10 0 ADAERN CC(=O)NCc1cnoc1C(C)C 585363514 573926255 /nfs/dbraw/zinc/92/62/55/573926255.db2.gz KQYWWWFAQZJTNO-UHFFFAOYSA-N 0 0 182.223 1.434 10 0 ADAERN CC(C)n1nc(Cl)nc1N 238188478 573926257 /nfs/dbraw/zinc/92/62/57/573926257.db2.gz RDFBLZNHIUKRIL-UHFFFAOYSA-N 0 0 160.608 1.095 10 0 ADAERN CCCCCCN1C(=O)[C@@H](C)N[C@H]1C 127605067 573926258 /nfs/dbraw/zinc/92/62/58/573926258.db2.gz MLJAOUGGIHTMLE-NXEZZACHSA-N 0 0 198.310 1.733 10 0 ADAERN CCC[C@@H]1COC[C@@H]1CO 642824930 573926299 /nfs/dbraw/zinc/92/62/99/573926299.db2.gz JXUSAKUNSLQQRE-SFYZADRCSA-N 0 0 144.214 1.041 10 0 ADAERN CC1=CC(=O)N(C[C@H](C)C(C)C)C1=O 81068123 573926284 /nfs/dbraw/zinc/92/62/84/573926284.db2.gz QUZIZHZWNTWYIC-VIFPVBQESA-N 0 0 195.262 1.594 10 0 ADAERN CCNC(C)=CC(=O)OCC1CC1 215009117 573926292 /nfs/dbraw/zinc/92/62/92/573926292.db2.gz DNBJFJIVXSFRSH-SOFGYWHQSA-N 0 0 183.251 1.453 10 0 ADAERN CCc1ccc(N(C)C=O)cc1 84889099 573926304 /nfs/dbraw/zinc/92/63/04/573926304.db2.gz KWNWKEHDWVDVBZ-UHFFFAOYSA-N 0 0 163.220 1.842 10 0 ADAERN COC[NH2+]Cc1ccc(C)cc1C 259010378 573926366 /nfs/dbraw/zinc/92/63/66/573926366.db2.gz GELRJBNPKFHGTR-UHFFFAOYSA-N 0 0 179.263 1.997 10 0 ADAERN CC(C)c1cc([C@H]2CNC(=O)C2)no1 238198740 573928468 /nfs/dbraw/zinc/92/84/68/573928468.db2.gz JEXFKTDHYAGBIO-SSDOTTSWSA-N 0 0 194.234 1.402 10 0 ADAERN CC/C=C(\CO)CCCO 78235022 573928470 /nfs/dbraw/zinc/92/84/70/573928470.db2.gz VYXUCIGUSHNVAY-YWEYNIOJSA-N 0 0 144.214 1.088 10 0 ADAERN CCOC(=O)[C@]1(O)CCC[C@H]1C 84902370 573928471 /nfs/dbraw/zinc/92/84/71/573928471.db2.gz ANMJNWDVNCCGMA-APPZFPTMSA-N 0 0 172.224 1.101 10 0 ADAERN C[NH2+][C@@H](CO)c1ccccc1C(C)=O 211769019 573928476 /nfs/dbraw/zinc/92/84/76/573928476.db2.gz LQGNBAIISNJCSY-NSHDSACASA-N 0 0 193.246 1.142 10 0 ADAERN CC1=CC(=O)N(C[C@@H](C)C(C)C)C1=O 81068114 573928489 /nfs/dbraw/zinc/92/84/89/573928489.db2.gz QUZIZHZWNTWYIC-SECBINFHSA-N 0 0 195.262 1.594 10 0 ADAERN C[C@H](N)C(F)(F)c1ccccn1 259241080 573928490 /nfs/dbraw/zinc/92/84/90/573928490.db2.gz SNKNDXAEANFZOQ-LURJTMIESA-N 0 0 172.178 1.521 10 0 ADAERN C[C@H](C[NH2+]C1(C)CCCC1)C(=O)[O-] 42186858 573927211 /nfs/dbraw/zinc/92/72/11/573927211.db2.gz IVWWRWSCUBKRAN-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN CC(=O)c1cc(C(C)(C)C)n(C)n1 257901459 573927212 /nfs/dbraw/zinc/92/72/12/573927212.db2.gz OYYRSWCOPQXEOT-UHFFFAOYSA-N 0 0 180.251 1.920 10 0 ADAERN Cc1ccnn1-c1ccc(N)cc1O 74276284 573927219 /nfs/dbraw/zinc/92/72/19/573927219.db2.gz GJDZYMLHFYCNMO-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CC1CN(c2ncc([C@H](C)O)s2)C1 642824933 573927231 /nfs/dbraw/zinc/92/72/31/573927231.db2.gz JZXAPKVDYNGCJK-ZETCQYMHSA-N 0 0 197.283 1.066 10 0 ADAERN CCCC1=N[C@@H]2CC[C@@H](O)C[C@H]2O1 258182915 573927248 /nfs/dbraw/zinc/92/72/48/573927248.db2.gz ZQUBGBYSRCAYCL-IWSPIJDZSA-N 0 0 183.251 1.497 10 0 ADAERN CCc1nc(C)cn1[C@H]1CCC[C@H]1O 715068498 573927261 /nfs/dbraw/zinc/92/72/61/573927261.db2.gz ZJJMGOPWRNCXSX-VHSXEESVSA-N 0 0 194.278 1.840 10 0 ADAERN Cc1nn(C)c(O[C@@H](C)C(C)C)c1N 87467779 573927273 /nfs/dbraw/zinc/92/72/73/573927273.db2.gz JVSLBXNWAJDLAO-QMMMGPOBSA-N 0 0 197.282 1.734 10 0 ADAERN OCC[C@@H]1Cc2ccc(F)cc2C1 257901413 573927277 /nfs/dbraw/zinc/92/72/77/573927277.db2.gz OXUKGVOZMVHPDL-MRVPVSSYSA-N 0 0 180.222 1.923 10 0 ADAERN Cc1nnc(C[C@@H](C)CO)s1 642824537 573927314 /nfs/dbraw/zinc/92/73/14/573927314.db2.gz HUVYSOBCPFYQJZ-RXMQYKEDSA-N 0 0 172.253 1.017 10 0 ADAERN C[C@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] 84902155 573927326 /nfs/dbraw/zinc/92/73/26/573927326.db2.gz ABEFTCZOQRZJPJ-OIBJUYFYSA-N 0 0 183.251 1.382 10 0 ADAERN COC(C)(C)[C@H](NN)c1ccccc1 127577621 573927331 /nfs/dbraw/zinc/92/73/31/573927331.db2.gz RYZWJIFPLHNCNX-SNVBAGLBSA-N 0 0 194.278 1.616 10 0 ADAERN Cc1nccn1-c1ncccc1C=O 235808896 573927345 /nfs/dbraw/zinc/92/73/45/573927345.db2.gz AAOJBXLMRKCYNL-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN C[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(=O)[O-] 84902157 573927355 /nfs/dbraw/zinc/92/73/55/573927355.db2.gz ABEFTCZOQRZJPJ-XCBNKYQSSA-N 0 0 183.251 1.382 10 0 ADAERN CCCc1ccc([C@@H](N)NN)cc1 259585558 573927359 /nfs/dbraw/zinc/92/73/59/573927359.db2.gz WILQVOXAWFIEED-JTQLQIEISA-N 0 0 179.267 1.060 10 0 ADAERN COC(=O)[C@@H](CC(C)C)n1cccn1 308464545 573927361 /nfs/dbraw/zinc/92/73/61/573927361.db2.gz HHLXNUPLZFIXEF-SECBINFHSA-N 0 0 196.250 1.643 10 0 ADAERN C[C@@]1(C2CCC2)CCOC(=O)N1 258458891 573927375 /nfs/dbraw/zinc/92/73/75/573927375.db2.gz GTWZJSBVBTZMLW-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)CCCOC 308464932 573927390 /nfs/dbraw/zinc/92/73/90/573927390.db2.gz ISISOXDKNLTLQM-BDAKNGLRSA-N 0 0 185.267 1.328 10 0 ADAERN CC1=C(C)O[C@H](O)CC1 238199664 573927402 /nfs/dbraw/zinc/92/74/02/573927402.db2.gz LMCFBCKGGGPVLZ-ZETCQYMHSA-N 0 0 128.171 1.409 10 0 ADAERN CC1=C(C)C[C@](C)(C(N)=O)CC1 238199086 573927418 /nfs/dbraw/zinc/92/74/18/573927418.db2.gz OSJFLIXCQACHTN-SNVBAGLBSA-N 0 0 167.252 1.998 10 0 ADAERN Nc1c[nH]cc1-c1cccc(O)c1 258183126 573927439 /nfs/dbraw/zinc/92/74/39/573927439.db2.gz SORBHTMMQXFUKA-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN CC1(C)CCCN(C=O)C1 84889089 573927489 /nfs/dbraw/zinc/92/74/89/573927489.db2.gz YSQWZJCAOOTVPC-UHFFFAOYSA-N 0 0 141.214 1.265 10 0 ADAERN CC[C@@H](OC)C(=O)Cc1cncs1 131684521 573927498 /nfs/dbraw/zinc/92/74/98/573927498.db2.gz CKRLIYQQIDKZKD-SECBINFHSA-N 0 0 199.275 1.680 10 0 ADAERN CCC[C@@H]([NH2+]C)[C@H](CC)C(=O)[O-] 259240316 573927502 /nfs/dbraw/zinc/92/75/02/573927502.db2.gz NCRXWGLXIQJPIF-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN CC(C)Cc1ccnc(CCO)n1 259240414 573927507 /nfs/dbraw/zinc/92/75/07/573927507.db2.gz ZMXSJXCXXWYBAX-UHFFFAOYSA-N 0 0 180.251 1.210 10 0 ADAERN CCSC1(C(=O)OC)CC1 259241803 573927532 /nfs/dbraw/zinc/92/75/32/573927532.db2.gz OBVNFZKVBNWLBK-UHFFFAOYSA-N 0 0 160.238 1.445 10 0 ADAERN Cc1cccc(N2CCC(=O)C2)c1F 84929765 573927554 /nfs/dbraw/zinc/92/75/54/573927554.db2.gz AICGORBHSIBWTD-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN CNc1cncc(NC[C@@H](C)OC)c1 224740507 573927558 /nfs/dbraw/zinc/92/75/58/573927558.db2.gz ARXWURDYAIUQMB-MRVPVSSYSA-N 0 0 195.266 1.570 10 0 ADAERN CC(C)[C@H](C)OC[C@@H](C)O 87469834 573927564 /nfs/dbraw/zinc/92/75/64/573927564.db2.gz NCEUWTRSLKWAFL-SFYZADRCSA-N 0 0 146.230 1.428 10 0 ADAERN CC(=O)CO[C@@H](C)C(C)C 87469606 573927576 /nfs/dbraw/zinc/92/75/76/573927576.db2.gz DKZIIHOEOGLMSZ-QMMMGPOBSA-N 0 0 144.214 1.637 10 0 ADAERN Cc1cccc2c1OC1(CC1)C(=O)N2 259241333 573927593 /nfs/dbraw/zinc/92/75/93/573927593.db2.gz NCZQQLWXMABFTG-UHFFFAOYSA-N 0 0 189.214 1.859 10 0 ADAERN O=C1CCCN(Cc2cccs2)C1 84935426 573927596 /nfs/dbraw/zinc/92/75/96/573927596.db2.gz WRTRZOVBOUUTBF-UHFFFAOYSA-N 0 0 195.287 1.913 10 0 ADAERN C[C@H]1Nc2c(N)cccc2SC1=O 259241176 573927600 /nfs/dbraw/zinc/92/76/00/573927600.db2.gz NBWCVZYDKHLPDE-RXMQYKEDSA-N 0 0 194.259 1.702 10 0 ADAERN CC(C)[C@H](C)OC1CC(=O)C1 87471102 573927606 /nfs/dbraw/zinc/92/76/06/573927606.db2.gz KFZNGGJYBGYVOY-ZETCQYMHSA-N 0 0 156.225 1.779 10 0 ADAERN CCc1c[nH]c(C2CCC(O)CC2)n1 259013295 573927610 /nfs/dbraw/zinc/92/76/10/573927610.db2.gz DLAZZRLTBVBYCG-UHFFFAOYSA-N 0 0 194.278 1.991 10 0 ADAERN C[C@@H]1CCC[C@@]1(O)[C@@H]1CCOC1 84902280 573927614 /nfs/dbraw/zinc/92/76/14/573927614.db2.gz ZOZPSMJKDSUHIV-BBBLOLIVSA-N 0 0 170.252 1.574 10 0 ADAERN CC1(C)CCCC(=O)CCCNC1=O 238199473 573927617 /nfs/dbraw/zinc/92/76/17/573927617.db2.gz INUABVHORABELA-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN C=CC(=O)NC[C@H](C)C(C)C 81047947 573927618 /nfs/dbraw/zinc/92/76/18/573927618.db2.gz ACFGHKMFCRKHNK-QMMMGPOBSA-N 0 0 155.241 1.581 10 0 ADAERN CC(C)OCc1ccc(N)c(N)c1 238199045 573927623 /nfs/dbraw/zinc/92/76/23/573927623.db2.gz UCZCFTKZZVFOKI-UHFFFAOYSA-N 0 0 180.251 1.776 10 0 ADAERN CC[C@H](C[C@H](C)O)Nc1ncccn1 716854907 573927640 /nfs/dbraw/zinc/92/76/40/573927640.db2.gz KRMHNHJMMQIFBD-DTWKUNHWSA-N 0 0 195.266 1.438 10 0 ADAERN CC(C)[C@H](C)OCC(N)=S 87469324 573927641 /nfs/dbraw/zinc/92/76/41/573927641.db2.gz KPJNZODAJZPATG-LURJTMIESA-N 0 0 161.270 1.334 10 0 ADAERN CCNC(C)=CC(=O)OCC(C)C 215008696 573927660 /nfs/dbraw/zinc/92/76/60/573927660.db2.gz APTHYZUQRRIXEP-RMKNXTFCSA-N 0 0 185.267 1.699 10 0 ADAERN CC(C)[C@@]1(C)CCNC(=O)O1 258459033 573927661 /nfs/dbraw/zinc/92/76/61/573927661.db2.gz GVQAGKMYOHACGP-MRVPVSSYSA-N 0 0 157.213 1.531 10 0 ADAERN CCC(=O)COCCC(F)(F)F 131680851 573927672 /nfs/dbraw/zinc/92/76/72/573927672.db2.gz CSGJAQOAPAWBED-UHFFFAOYSA-N 0 0 184.157 1.935 10 0 ADAERN COC(C)(C)[C@H](CCC(C)C)NN 127576793 573927679 /nfs/dbraw/zinc/92/76/79/573927679.db2.gz AYJJWAYGTFORLK-VIFPVBQESA-N 0 0 188.315 1.680 10 0 ADAERN COC(=O)[C@]1(N)C[C@@H]1C1CCCC1 215477662 573927705 /nfs/dbraw/zinc/92/77/05/573927705.db2.gz XEOOMWPPAFRGFB-SCZZXKLOSA-N 0 0 183.251 1.067 10 0 ADAERN C[C@@]1(F)CCCc2onc(N)c21 258522703 573927707 /nfs/dbraw/zinc/92/77/07/573927707.db2.gz MKDPHEMOLQLNEW-MRVPVSSYSA-N 0 0 170.187 1.778 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)CCCOC 308464935 573927709 /nfs/dbraw/zinc/92/77/09/573927709.db2.gz ISISOXDKNLTLQM-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@H](O)c1nc2ccccc2n1CO 110280290 573927726 /nfs/dbraw/zinc/92/77/26/573927726.db2.gz VWKCOTFVBVRAQF-ZETCQYMHSA-N 0 0 192.218 1.039 10 0 ADAERN COC(=O)/C(=C/C(C)(C)C)NC(C)=O 223560584 573927771 /nfs/dbraw/zinc/92/77/71/573927771.db2.gz SYUTUOAFMYGDSA-VURMDHGXSA-N 0 0 199.250 1.226 10 0 ADAERN c1ncc([C@@H]2CSCCN2)o1 258459020 573927806 /nfs/dbraw/zinc/92/78/06/573927806.db2.gz GVNYWMYNSYGPLG-LURJTMIESA-N 0 0 170.237 1.052 10 0 ADAERN C[C@@H]1CCc2cnc(N)nc21 84901896 573927827 /nfs/dbraw/zinc/92/78/27/573927827.db2.gz SYEQULZTCCUKFH-RXMQYKEDSA-N 0 0 149.197 1.109 10 0 ADAERN CC(C)[C@H]1NCc2ccccc2C1=O 238199600 573927842 /nfs/dbraw/zinc/92/78/42/573927842.db2.gz PBJSYRJXJTVAES-LLVKDONJSA-N 0 0 189.258 1.997 10 0 ADAERN CC1(C)CCCC(=O)[C@@H]1CCO 238199658 573927867 /nfs/dbraw/zinc/92/78/67/573927867.db2.gz PNYDUUFRWNLPLC-QMMMGPOBSA-N 0 0 170.252 1.764 10 0 ADAERN Cc1cnnc(NC(C)(C)CCO)c1 235808055 573927872 /nfs/dbraw/zinc/92/78/72/573927872.db2.gz UTPDKGYBYIKWBL-UHFFFAOYSA-N 0 0 195.266 1.358 10 0 ADAERN Cc1cc(C2CCC2)n(C)n1 259012060 573927896 /nfs/dbraw/zinc/92/78/96/573927896.db2.gz HTKOAVGEIOTOHU-UHFFFAOYSA-N 0 0 150.225 1.996 10 0 ADAERN COCC(=O)OC[C@@H]1C[C@@H]1C(C)C 308464913 573927954 /nfs/dbraw/zinc/92/79/54/573927954.db2.gz IRVSFUCDHKMCQU-DTWKUNHWSA-N 0 0 186.251 1.468 10 0 ADAERN CC(=O)c1nccc(CC(C)C)n1 259010089 573928010 /nfs/dbraw/zinc/92/80/10/573928010.db2.gz FAZUEEDCKAUXBG-UHFFFAOYSA-N 0 0 178.235 1.878 10 0 ADAERN Cc1cc(C)c2[nH]c(CO)cc2n1 257901455 573928031 /nfs/dbraw/zinc/92/80/31/573928031.db2.gz OYXJWQLFHDJOOB-UHFFFAOYSA-N 0 0 176.219 1.672 10 0 ADAERN CCCCCC[C@]1(C)NCC(=O)N1 308464902 573928038 /nfs/dbraw/zinc/92/80/38/573928038.db2.gz IRNXCCUMLMCQNZ-SNVBAGLBSA-N 0 0 184.283 1.392 10 0 ADAERN C[C@@H]1CCC[C@]1([NH2+]C1CC1)C(=O)[O-] 84902153 573928040 /nfs/dbraw/zinc/92/80/40/573928040.db2.gz ABEFTCZOQRZJPJ-GMSGAONNSA-N 0 0 183.251 1.382 10 0 ADAERN CCCNC(=O)c1cc(O)ccc1O 224746668 573928041 /nfs/dbraw/zinc/92/80/41/573928041.db2.gz XEBVKFGXFAJHET-UHFFFAOYSA-N 0 0 195.218 1.238 10 0 ADAERN CCCOC(=O)[C@]1(C)CCCCN1 127585196 573928047 /nfs/dbraw/zinc/92/80/47/573928047.db2.gz LVZJUQGLZRZLNH-JTQLQIEISA-N 0 0 185.267 1.472 10 0 ADAERN C[C@H]1Nc2cccc(O)c2N(C)C1=O 259241235 573928053 /nfs/dbraw/zinc/92/80/53/573928053.db2.gz NCEAFTYKVBFVJL-ZCFIWIBFSA-N 0 0 192.218 1.169 10 0 ADAERN CCC[C@H]([NH2+]C)[C@@H](CC)C(=O)[O-] 259240320 573928076 /nfs/dbraw/zinc/92/80/76/573928076.db2.gz NCRXWGLXIQJPIF-SFYZADRCSA-N 0 0 173.256 1.485 10 0 ADAERN CC(C)[NH2+][C@@]1(C(=O)[O-])CCC[C@H]1C 84902144 573928099 /nfs/dbraw/zinc/92/80/99/573928099.db2.gz DMATWIVOOCIZLF-SCZZXKLOSA-N 0 0 185.267 1.628 10 0 ADAERN CC(C)[C@](O)(C1=CCCC1)[C@@H](C)O 238199347 573928105 /nfs/dbraw/zinc/92/81/05/573928105.db2.gz NEUDNSKLRFLHIR-MWLCHTKSSA-N 0 0 184.279 1.865 10 0 ADAERN Cc1cccc(-c2nc(N)n[nH]2)c1F 84932021 573928118 /nfs/dbraw/zinc/92/81/18/573928118.db2.gz SKEGNZJSQMDKOL-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN C[C@H](CCC(=O)[O-])[N@H+](C)C1CCC1 127596894 573928177 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110280294 573929120 /nfs/dbraw/zinc/92/91/20/573929120.db2.gz VWKCOTFVBVRAQF-SSDOTTSWSA-N 0 0 192.218 1.039 10 0 ADAERN COC(C)(C)[C@@H](NN)c1ccccc1 127577857 573929123 /nfs/dbraw/zinc/92/91/23/573929123.db2.gz RYZWJIFPLHNCNX-JTQLQIEISA-N 0 0 194.278 1.616 10 0 ADAERN C=CC(=O)NC[C@@H](C)C(C)C 81047949 573929136 /nfs/dbraw/zinc/92/91/36/573929136.db2.gz ACFGHKMFCRKHNK-MRVPVSSYSA-N 0 0 155.241 1.581 10 0 ADAERN CCCc1nnc([C@@H](C)COC)o1 308465006 573929450 /nfs/dbraw/zinc/92/94/50/573929450.db2.gz IUFLDBNEHREVRL-ZETCQYMHSA-N 0 0 184.239 1.772 10 0 ADAERN CC[C@H](NC)C(=O)O[C@@H](C)C(C)C 87467950 573929175 /nfs/dbraw/zinc/92/91/75/573929175.db2.gz UUIOUBRZNURKKI-IUCAKERBSA-N 0 0 187.283 1.572 10 0 ADAERN CCc1nc(C)cn1[C@H]1CCC[C@@H]1O 715068496 573929182 /nfs/dbraw/zinc/92/91/82/573929182.db2.gz ZJJMGOPWRNCXSX-UWVGGRQHSA-N 0 0 194.278 1.840 10 0 ADAERN Cc1cc(C2(O)COC2)ccc1F 259165762 573929192 /nfs/dbraw/zinc/92/91/92/573929192.db2.gz IYQGEXMLJYGSIS-UHFFFAOYSA-N 0 0 182.194 1.352 10 0 ADAERN 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/nfs/dbraw/zinc/93/11/26/573931126.db2.gz KBBGEFGHQNFWOJ-UHFFFAOYSA-N 0 0 193.246 1.953 10 0 ADAERN C[C@H]1CCC[C@@H](N2CNCC2=O)CC1 235670734 573931146 /nfs/dbraw/zinc/93/11/46/573931146.db2.gz RHUUZCKKTCIENS-VHSXEESVSA-N 0 0 196.294 1.345 10 0 ADAERN C[C@H](CCC(=O)[O-])C[NH+]1CCCC1 131737014 573931155 /nfs/dbraw/zinc/93/11/55/573931155.db2.gz GSEDSUYFYAYXRZ-SECBINFHSA-N 0 0 185.267 1.583 10 0 ADAERN COC[C@@H]1CNc2ccc(C)cc2O1 87504258 573931188 /nfs/dbraw/zinc/93/11/88/573931188.db2.gz KPOXOBUKZUXLJZ-VIFPVBQESA-N 0 0 193.246 1.814 10 0 ADAERN COC(=O)[C@]1(N)C[C@H]1C1CCCC1 215477758 573931204 /nfs/dbraw/zinc/93/12/04/573931204.db2.gz XEOOMWPPAFRGFB-WPRPVWTQSA-N 0 0 183.251 1.067 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1[nH]nc(N)c1F 716432631 573931211 /nfs/dbraw/zinc/93/12/11/573931211.db2.gz FCTBZVXSJIGRTA-XZBKPIIZSA-N 0 0 195.241 1.891 10 0 ADAERN CN[C@H](N)c1sccc1C 259242782 573931805 /nfs/dbraw/zinc/93/18/05/573931805.db2.gz GAULURLRUIRRCP-ZETCQYMHSA-N 0 0 156.254 1.233 10 0 ADAERN C[C@H](CCC(=O)[O-])C[NH+](C)C 131741404 573931237 /nfs/dbraw/zinc/93/12/37/573931237.db2.gz RTSOWHLYKZMOOE-SSDOTTSWSA-N 0 0 159.229 1.049 10 0 ADAERN C[C@@H]1CC=CC[C@H]1C(=O)OCCO 215020699 573931259 /nfs/dbraw/zinc/93/12/59/573931259.db2.gz LVDBZHUYSFXLIN-RKDXNWHRSA-N 0 0 184.235 1.124 10 0 ADAERN CCOc1ccncc1CC[C@@H](C)O 393654002 573931280 /nfs/dbraw/zinc/93/12/80/573931280.db2.gz CVRCHHFMNJZNIW-SECBINFHSA-N 0 0 195.262 1.794 10 0 ADAERN COCCNc1ccc(OC)cn1 234662815 573931286 /nfs/dbraw/zinc/93/12/86/573931286.db2.gz GHWRNTZZDBSDAU-UHFFFAOYSA-N 0 0 182.223 1.149 10 0 ADAERN COC[C@@H]1CNc2ccc(F)cc2O1 87504860 573931313 /nfs/dbraw/zinc/93/13/13/573931313.db2.gz XZTJHNPVFBBSOG-QMMMGPOBSA-N 0 0 197.209 1.645 10 0 ADAERN COC[C@@]1(C(C)C)CC(=O)N[C@@H]1C 87501561 573931319 /nfs/dbraw/zinc/93/13/19/573931319.db2.gz JXOKUYODCZXLHB-PSASIEDQSA-N 0 0 185.267 1.184 10 0 ADAERN CCCCCCC1(CO)OCCO1 238199232 573931323 /nfs/dbraw/zinc/93/13/23/573931323.db2.gz IHGBOIRCADLPSE-UHFFFAOYSA-N 0 0 188.267 1.692 10 0 ADAERN C[C@@H](CCC(=O)[O-])C[N@@H+]1CC[C@H]1C 131745821 573931325 /nfs/dbraw/zinc/93/13/25/573931325.db2.gz KYNSNVPRGMDQBL-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CC1(C)C/C(=C\CO)C[C@H]2O[C@H]21 238198757 573931351 /nfs/dbraw/zinc/93/13/51/573931351.db2.gz AWANEGQFYPLLIZ-ALCBPQMDSA-N 0 0 168.236 1.493 10 0 ADAERN C[C@H]1CC=CC[C@@H]1C(=O)OCCO 215020656 573931367 /nfs/dbraw/zinc/93/13/67/573931367.db2.gz LVDBZHUYSFXLIN-IUCAKERBSA-N 0 0 184.235 1.124 10 0 ADAERN CN[C@@](COC)(C1CC1)C(F)(F)F 87499184 573931371 /nfs/dbraw/zinc/93/13/71/573931371.db2.gz YLYGWPBRBJLZPM-ZETCQYMHSA-N 0 0 197.200 1.563 10 0 ADAERN C[C@H](CCC(=O)[O-])C[NH+]1CC(C)(C)C1 131741790 573931388 /nfs/dbraw/zinc/93/13/88/573931388.db2.gz ZVDJMLHSKQLBBB-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1coc(CN(C)C)n1 257908104 573931411 /nfs/dbraw/zinc/93/14/11/573931411.db2.gz PIZYPIWQRTVQJA-UHFFFAOYSA-N 0 0 140.186 1.045 10 0 ADAERN C[C@H](O)COC(=O)C1CCCC1 215020923 573931432 /nfs/dbraw/zinc/93/14/32/573931432.db2.gz ANICMFMAYAXMEI-ZETCQYMHSA-N 0 0 172.224 1.101 10 0 ADAERN C/C=C(\C)CC[C@@H]1O[C@H]1CO 393496189 573931516 /nfs/dbraw/zinc/93/15/16/573931516.db2.gz ZILCACBNAYWOCN-LFTMGRLWSA-N 0 0 156.225 1.493 10 0 ADAERN CCOC[C@H]1CNc2ccccc2O1 87503657 573931524 /nfs/dbraw/zinc/93/15/24/573931524.db2.gz WJUWDJOEWNFZNU-SECBINFHSA-N 0 0 193.246 1.896 10 0 ADAERN CCC1C(=O)N[C@@H]2CC(C)=NN2C1=O 238200119 573931527 /nfs/dbraw/zinc/93/15/27/573931527.db2.gz NNVVIFZKDPHCLX-ZETCQYMHSA-N 0 0 195.222 1.544 10 0 ADAERN CCCCCCN1C(=O)CN[C@@H]1CC 127631171 573931540 /nfs/dbraw/zinc/93/15/40/573931540.db2.gz DEDWUGGHHWHZAZ-JTQLQIEISA-N 0 0 198.310 1.735 10 0 ADAERN CCCCCN[C@H](C)C(=O)OC 42223191 573931558 /nfs/dbraw/zinc/93/15/58/573931558.db2.gz KKLZWYUVHJZQHC-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CC(C)C(=O)[C@@H](C)C(C)(C)O 238200175 573931570 /nfs/dbraw/zinc/93/15/70/573931570.db2.gz FKYIYWGLNKHCJZ-SSDOTTSWSA-N 0 0 158.241 1.619 10 0 ADAERN CNc1cccc(CS(C)(=O)=O)c1 81127670 573931577 /nfs/dbraw/zinc/93/15/77/573931577.db2.gz POFIGAVNYBRGGK-UHFFFAOYSA-N 0 0 199.275 1.273 10 0 ADAERN CCC(=O)CCc1ccc[nH]1 238198996 573931578 /nfs/dbraw/zinc/93/15/78/573931578.db2.gz BZZKTTBELNNBDR-UHFFFAOYSA-N 0 0 151.209 1.926 10 0 ADAERN CCCOCCn1ccc(=O)c(C)c1 308470848 573931579 /nfs/dbraw/zinc/93/15/79/573931579.db2.gz BOMJMBCOAZAFRG-UHFFFAOYSA-N 0 0 195.262 1.583 10 0 ADAERN CC(=O)[C@H]1C[C@]1(C(C)=O)C(C)C 238199558 573931588 /nfs/dbraw/zinc/93/15/88/573931588.db2.gz QHJLOOIRJYCOQY-NXEZZACHSA-N 0 0 168.236 1.827 10 0 ADAERN C1CCC([C@@H]2CCON2)CC1 258460444 573931598 /nfs/dbraw/zinc/93/15/98/573931598.db2.gz HBUXBIZQFBRFMX-VIFPVBQESA-N 0 0 155.241 1.860 10 0 ADAERN CCC(C)=C=C(C)CO 238200272 573931606 /nfs/dbraw/zinc/93/16/06/573931606.db2.gz UATYMICQRZMRDN-UHFFFAOYSA-N 0 0 126.199 1.880 10 0 ADAERN CC(C)(O)c1nccc(C2CCC2)n1 259015504 573931621 /nfs/dbraw/zinc/93/16/21/573931621.db2.gz FQFHHDRVLWXILY-UHFFFAOYSA-N 0 0 192.262 1.972 10 0 ADAERN CC[C@@H](CO)c1nccc(C)n1 259015485 573931635 /nfs/dbraw/zinc/93/16/35/573931635.db2.gz FPINYUBCSQOZBR-QMMMGPOBSA-N 0 0 166.224 1.271 10 0 ADAERN CC(C)[NH2+]C[C@@H](C)CCC(=O)[O-] 131744620 573931640 /nfs/dbraw/zinc/93/16/40/573931640.db2.gz QKXOHYQNHHEIIO-QMMMGPOBSA-N 0 0 173.256 1.485 10 0 ADAERN CCCCC[NH2+][C@H](C)c1nnn[n-]1 44923836 573931641 /nfs/dbraw/zinc/93/16/41/573931641.db2.gz BRLLCIPIYMGNBZ-SSDOTTSWSA-N 0 0 183.259 1.041 10 0 ADAERN CCC1C(=O)N[C@H]2CC(C)=NN2C1=O 238200103 573931654 /nfs/dbraw/zinc/93/16/54/573931654.db2.gz NNVVIFZKDPHCLX-SSDOTTSWSA-N 0 0 195.222 1.544 10 0 ADAERN CC(=O)Cc1cc(CO)ccc1F 257960392 573931674 /nfs/dbraw/zinc/93/16/74/573931674.db2.gz BUKCIWPYGWYPOF-UHFFFAOYSA-N 0 0 182.194 1.450 10 0 ADAERN COC(=O)c1nc(C2CCCC2)c[nH]1 259015289 573931679 /nfs/dbraw/zinc/93/16/79/573931679.db2.gz DPYFQIUAASVCDD-UHFFFAOYSA-N 0 0 194.234 1.854 10 0 ADAERN CCC1C[NH+](C[C@@H](C)CCC(=O)[O-])C1 131739856 573931713 /nfs/dbraw/zinc/93/17/13/573931713.db2.gz LCENHLVIZBVWRI-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN Cc1cccc([C@@H]2NCCCC2=O)c1 259014618 573931762 /nfs/dbraw/zinc/93/17/62/573931762.db2.gz YAXKADLCIXMMRB-LBPRGKRZSA-N 0 0 189.258 1.989 10 0 ADAERN CCCCCN(C)C=O 81137760 573935022 /nfs/dbraw/zinc/93/50/22/573935022.db2.gz CRWBMVXYQYUQIG-UHFFFAOYSA-N 0 0 129.203 1.265 10 0 ADAERN O=c1ccc2nc(Cl)oc2[nH]1 258460472 573932690 /nfs/dbraw/zinc/93/26/90/573932690.db2.gz HCVOIEAWXJTCIG-UHFFFAOYSA-N 0 0 170.555 1.582 10 0 ADAERN C/C=C(\C)CC[C@@H]1O[C@@H]1CO 393496188 573932964 /nfs/dbraw/zinc/93/29/64/573932964.db2.gz ZILCACBNAYWOCN-GPEYXKODSA-N 0 0 156.225 1.493 10 0 ADAERN COc1cccc(C)c1CCO 81174510 573932965 /nfs/dbraw/zinc/93/29/65/573932965.db2.gz LPBZDSKSSHEASD-UHFFFAOYSA-N 0 0 166.220 1.538 10 0 ADAERN CCc1ccc(N)c(=O)n1CC(C)C 257905392 573932978 /nfs/dbraw/zinc/93/29/78/573932978.db2.gz ZLBLYLMYVBWQEF-UHFFFAOYSA-N 0 0 194.278 1.649 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716446748 573932979 /nfs/dbraw/zinc/93/29/79/573932979.db2.gz DSGQZUSMJMDRKF-RULNZFCNSA-N 0 0 154.209 1.452 10 0 ADAERN COC[C@@H]1CNc2c(C)cccc2O1 87504608 573932633 /nfs/dbraw/zinc/93/26/33/573932633.db2.gz ACIGDMHHOCYJDN-VIFPVBQESA-N 0 0 193.246 1.814 10 0 ADAERN O=Cc1ccnn1[C@@H]1CCCOC1 257904952 573932647 /nfs/dbraw/zinc/93/26/47/573932647.db2.gz PMFPSPMMKSIGOW-SECBINFHSA-N 0 0 180.207 1.047 10 0 ADAERN O=C1NC[C@H]([C@H]2CCCCS2)O1 258183835 573932654 /nfs/dbraw/zinc/93/26/54/573932654.db2.gz FHHKZPYERWYYPA-RNFRBKRXSA-N 0 0 187.264 1.381 10 0 ADAERN Oc1cccc([C@@H]2COCCO2)c1 81140544 573932701 /nfs/dbraw/zinc/93/27/01/573932701.db2.gz ZWWQWUZVPGJLCI-JTQLQIEISA-N 0 0 180.203 1.480 10 0 ADAERN CO[C@@H](C)Cc1cccc(CO)c1 259585694 573932705 /nfs/dbraw/zinc/93/27/05/573932705.db2.gz YPJIRQFVNAXNMG-VIFPVBQESA-N 0 0 180.247 1.756 10 0 ADAERN COc1ccc2c(c1)C[C@@H]([C@H](C)O)O2 257905252 573932709 /nfs/dbraw/zinc/93/27/09/573932709.db2.gz AXXXXKZZYCZDLR-CPCISQLKSA-N 0 0 194.230 1.380 10 0 ADAERN CO[C@H](C)Cc1cccc(CO)c1 259585693 573932772 /nfs/dbraw/zinc/93/27/72/573932772.db2.gz YPJIRQFVNAXNMG-SECBINFHSA-N 0 0 180.247 1.756 10 0 ADAERN CC[C@@H](C)[N@@H+]1CC[C@H](C(=O)[O-])C1(C)C 259243266 573932783 /nfs/dbraw/zinc/93/27/83/573932783.db2.gz DXFONAQRYDBJNJ-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN O=Cc1cnc(-c2ccccc2O)o1 257905060 573932784 /nfs/dbraw/zinc/93/27/84/573932784.db2.gz CDJYGOFVODFREB-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN COC[C@@H]1CNc2cc(F)ccc2O1 87505015 573932792 /nfs/dbraw/zinc/93/27/92/573932792.db2.gz DOLZBKUXRIWKKL-QMMMGPOBSA-N 0 0 197.209 1.645 10 0 ADAERN Cc1ccc(-c2cnncc2N)o1 257909230 573932799 /nfs/dbraw/zinc/93/27/99/573932799.db2.gz IRXUJQGGVNARQY-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCC1(NC2=NCCO2)CCCC1 238196915 573932801 /nfs/dbraw/zinc/93/28/01/573932801.db2.gz SCOARTCELLMHMM-UHFFFAOYSA-N 0 0 182.267 1.685 10 0 ADAERN O=C1NC[C@H]([C@@H]2CCCCS2)O1 258183836 573932823 /nfs/dbraw/zinc/93/28/23/573932823.db2.gz FHHKZPYERWYYPA-RQJHMYQMSA-N 0 0 187.264 1.381 10 0 ADAERN COC[C@](O)(C=C(C)C)C1CC1 87497150 573932843 /nfs/dbraw/zinc/93/28/43/573932843.db2.gz FDDKZDBRQDEFEY-SNVBAGLBSA-N 0 0 170.252 1.740 10 0 ADAERN O=C([O-])CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 308465835 573932856 /nfs/dbraw/zinc/93/28/56/573932856.db2.gz HUNCEEBUWSTZIM-KXUCPTDWSA-N 0 0 197.278 1.629 10 0 ADAERN CC(=O)CCCC1(O)CC1 257904781 573932868 /nfs/dbraw/zinc/93/28/68/573932868.db2.gz HXCOXJOPEDHSSO-UHFFFAOYSA-N 0 0 142.198 1.271 10 0 ADAERN CCCCCCN1C(=O)[C@H](C)N[C@@H]1C 127605752 573932871 /nfs/dbraw/zinc/93/28/71/573932871.db2.gz MLJAOUGGIHTMLE-UWVGGRQHSA-N 0 0 198.310 1.733 10 0 ADAERN CC1=C2NC(=O)C(=O)C2CCC1 238196222 573932872 /nfs/dbraw/zinc/93/28/72/573932872.db2.gz VRBWRAOYZYYOLH-UHFFFAOYSA-N 0 0 165.192 1.386 10 0 ADAERN C[C@H](CCC(=O)[O-])C[NH+]1CC=CC1 131745233 573932876 /nfs/dbraw/zinc/93/28/76/573932876.db2.gz KPEZQOHSJYQDSP-SECBINFHSA-N 0 0 183.251 1.359 10 0 ADAERN Cc1ccc(C)c([C@H](NN)N(C)C)c1 259242429 573932880 /nfs/dbraw/zinc/93/28/80/573932880.db2.gz RMXYIDYMPWNVKZ-LLVKDONJSA-N 0 0 193.294 1.327 10 0 ADAERN C[N@H+](CC(C)(C)C)C1(C(=O)[O-])CCC1 308465474 573932897 /nfs/dbraw/zinc/93/28/97/573932897.db2.gz GADYWOYQBFJXFW-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ncc(C2=NC(=O)CS2)cn1 103627230 573934847 /nfs/dbraw/zinc/93/48/47/573934847.db2.gz QEXZXBMCLRPUFM-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CCCC1(C(=O)CC)N=N1 238195962 573934699 /nfs/dbraw/zinc/93/46/99/573934699.db2.gz MBVWUKFYSDHLEF-UHFFFAOYSA-N 0 0 140.186 1.928 10 0 ADAERN Cc1cccc([C@]([NH3+])(CF)C(=O)[O-])c1 257905287 573934724 /nfs/dbraw/zinc/93/47/24/573934724.db2.gz ZILUJOCDOBAOCL-SNVBAGLBSA-N 0 0 197.209 1.203 10 0 ADAERN Cc1cn([C@@H]2CCC[C@H]2O)c(C)n1 715071886 573936107 /nfs/dbraw/zinc/93/61/07/573936107.db2.gz JKNOIKRUPKTQCN-NXEZZACHSA-N 0 0 180.251 1.586 10 0 ADAERN CC(=O)CSc1nc(C)ns1 87515634 573934673 /nfs/dbraw/zinc/93/46/73/573934673.db2.gz SSZLMGCHLLWIFY-UHFFFAOYSA-N 0 0 188.277 1.528 10 0 ADAERN CCCC/C(=C/CO)CO 81147324 573934766 /nfs/dbraw/zinc/93/47/66/573934766.db2.gz YVRLBZRCSISOKJ-YVMONPNESA-N 0 0 144.214 1.088 10 0 ADAERN COc1ccc2c(c1)C[C@@H]([C@@H](C)O)O2 257905255 573934783 /nfs/dbraw/zinc/93/47/83/573934783.db2.gz AXXXXKZZYCZDLR-HQJQHLMTSA-N 0 0 194.230 1.380 10 0 ADAERN CC(=O)c1c(C)nc2ncc(C)cn12 84951910 573934786 /nfs/dbraw/zinc/93/47/86/573934786.db2.gz ZVWYPSHUKDEPJL-UHFFFAOYSA-N 0 0 189.218 1.549 10 0 ADAERN COc1cnn(C(C)C)c1C=O 123109007 573934887 /nfs/dbraw/zinc/93/48/87/573934887.db2.gz YMJVHEMWLQZFNT-UHFFFAOYSA-N 0 0 168.196 1.285 10 0 ADAERN C=Cc1nc(C[C@H](C)OC)no1 127726851 573934895 /nfs/dbraw/zinc/93/48/95/573934895.db2.gz HPVKFCKDWCZYRC-LURJTMIESA-N 0 0 168.196 1.290 10 0 ADAERN CCc1coc(N)c1 103624629 573934898 /nfs/dbraw/zinc/93/48/98/573934898.db2.gz QRPNQXNWVBSEOU-UHFFFAOYSA-N 0 0 111.144 1.424 10 0 ADAERN COC(=O)[C@]1(c2ccco2)C[C@H]1C 259586061 573934936 /nfs/dbraw/zinc/93/49/36/573934936.db2.gz KVJGIFNRIJZDKN-GMSGAONNSA-N 0 0 180.203 1.730 10 0 ADAERN Cn1c(N)ccc1-c1ccccc1N 258183308 573934939 /nfs/dbraw/zinc/93/49/39/573934939.db2.gz STKVSSJBBKZSLM-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN O=Cc1ccnn1[C@H]1CCCOC1 257904956 573934944 /nfs/dbraw/zinc/93/49/44/573934944.db2.gz PMFPSPMMKSIGOW-VIFPVBQESA-N 0 0 180.207 1.047 10 0 ADAERN COC(=O)[C@]1(c2ccco2)C[C@@H]1C 259586062 573934959 /nfs/dbraw/zinc/93/49/59/573934959.db2.gz KVJGIFNRIJZDKN-OIBJUYFYSA-N 0 0 180.203 1.730 10 0 ADAERN CCCC(=O)N1CCC(C)(C)C(=O)C1 259019442 573934978 /nfs/dbraw/zinc/93/49/78/573934978.db2.gz DPMWCGASVCSBCP-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN O=C1NC[C@@H]2CCCC[C@H]2[C@H]1Cl 167127810 573934998 /nfs/dbraw/zinc/93/49/98/573934998.db2.gz XOGNBUXWIGNXBE-XLPZGREQSA-N 0 0 187.670 1.530 10 0 ADAERN CCn1[nH]c(=O)cc1C(C)(C)C 258460470 573935002 /nfs/dbraw/zinc/93/50/02/573935002.db2.gz HCSPEUAJYRXCBH-UHFFFAOYSA-N 0 0 168.240 1.906 10 0 ADAERN O=C1CCNN1Cc1ccccc1F 257905377 573935007 /nfs/dbraw/zinc/93/50/07/573935007.db2.gz ZKOBTPURCKXUOA-UHFFFAOYSA-N 0 0 194.209 1.063 10 0 ADAERN CO[C@@](C)(CO)c1ccccc1C 257905046 573935027 /nfs/dbraw/zinc/93/50/27/573935027.db2.gz PNOXQOOOZBFUGX-NSHDSACASA-N 0 0 180.247 1.849 10 0 ADAERN CC(=O)[C@H](N)c1c(C)cccc1CO 238195945 573935038 /nfs/dbraw/zinc/93/50/38/573935038.db2.gz BTAHWBJKMHSGIL-NSHDSACASA-N 0 0 193.246 1.076 10 0 ADAERN CCC(=O)[C@H](C)[N@H+](C)C1CCC1 127625944 573935050 /nfs/dbraw/zinc/93/50/50/573935050.db2.gz OZMIAQHIBDORCE-QMMMGPOBSA-N 0 0 169.268 1.838 10 0 ADAERN Cc1ccc2c(c1)NC[C@@H](CCO)C2 257905373 573935064 /nfs/dbraw/zinc/93/50/64/573935064.db2.gz ZKMSITGOSWHQMU-JTQLQIEISA-N 0 0 191.274 1.962 10 0 ADAERN CC(C)C(=O)C[N@H+](C)C1CCC1 127622103 573935096 /nfs/dbraw/zinc/93/50/96/573935096.db2.gz XONDDPIJVNKQBM-UHFFFAOYSA-N 0 0 169.268 1.696 10 0 ADAERN CCc1nc(C)cn1[C@@H]1CC[C@@H]1O 715071782 573935100 /nfs/dbraw/zinc/93/51/00/573935100.db2.gz IRWVVWYPVNMFAU-BDAKNGLRSA-N 0 0 180.251 1.450 10 0 ADAERN C[C@@H](N)C(F)(F)c1ccc[nH]1 259017716 573935107 /nfs/dbraw/zinc/93/51/07/573935107.db2.gz CRWOQYZMCNHTAN-RXMQYKEDSA-N 0 0 160.167 1.454 10 0 ADAERN CCCCC[C@H](NN)C(OC)OC 127630235 573935135 /nfs/dbraw/zinc/93/51/35/573935135.db2.gz VQBJIOCZDRQTPZ-QMMMGPOBSA-N 0 0 190.287 1.018 10 0 ADAERN Cc1noc(NCc2cc(C)on2)n1 235820094 573935121 /nfs/dbraw/zinc/93/51/21/573935121.db2.gz JSZWQWJPRDWSRY-UHFFFAOYSA-N 0 0 194.194 1.287 10 0 ADAERN Cc1cn([C@H]2CCC[C@@H]2O)c(C)n1 715071890 573935134 /nfs/dbraw/zinc/93/51/34/573935134.db2.gz JKNOIKRUPKTQCN-UWVGGRQHSA-N 0 0 180.251 1.586 10 0 ADAERN C[NH2+][C@H](CC(C)C)C1(C(=O)[O-])CC1 259585858 573935137 /nfs/dbraw/zinc/93/51/37/573935137.db2.gz XKYRRZXBWWCXRW-MRVPVSSYSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H](O)[C@H](C)Sc1ncns1 87514972 573935146 /nfs/dbraw/zinc/93/51/46/573935146.db2.gz BOEOBWIHJXMPDX-WHFBIAKZSA-N 0 0 190.293 1.400 10 0 ADAERN C[N@@H+]1CCC[C@H]1Cc1ncc(C=O)o1 258184091 573935176 /nfs/dbraw/zinc/93/51/76/573935176.db2.gz SENLAHRLWXXIIV-QMMMGPOBSA-N 0 0 194.234 1.124 10 0 ADAERN CCNc1cc(OCCO)ccc1N 308465515 573935189 /nfs/dbraw/zinc/93/51/89/573935189.db2.gz GBOILABPOWDKGD-UHFFFAOYSA-N 0 0 196.250 1.072 10 0 ADAERN Cc1cc(O)c(C)c(C)c1[C@H]([NH3+])CO 259585766 573935195 /nfs/dbraw/zinc/93/51/95/573935195.db2.gz YRSYKGQLRWNBNI-SECBINFHSA-N 0 0 195.262 1.310 10 0 ADAERN Cc1cc(N)cc(=O)n1C1CCC1 257904918 573935207 /nfs/dbraw/zinc/93/52/07/573935207.db2.gz PLUOFKDMZHTIFH-UHFFFAOYSA-N 0 0 178.235 1.464 10 0 ADAERN CC1(C)C2CC(C2)[C@@H]1O 238196281 573936361 /nfs/dbraw/zinc/93/63/61/573936361.db2.gz NRYHZEKQVZGIMF-AHXFUIDQSA-N 0 0 126.199 1.413 10 0 ADAERN Cc1ccnc([C@@H](CO)C(C)C)n1 259017616 573935218 /nfs/dbraw/zinc/93/52/18/573935218.db2.gz FVSRZKJXYXYWJC-VIFPVBQESA-N 0 0 180.251 1.517 10 0 ADAERN CCc1nc(C)cn1[C@@H]1CC[C@H]1O 715071793 573935222 /nfs/dbraw/zinc/93/52/22/573935222.db2.gz IRWVVWYPVNMFAU-RKDXNWHRSA-N 0 0 180.251 1.450 10 0 ADAERN CCc1nc(C)cn1[C@H]1CC[C@@H]1O 715071791 573935236 /nfs/dbraw/zinc/93/52/36/573935236.db2.gz IRWVVWYPVNMFAU-IUCAKERBSA-N 0 0 180.251 1.450 10 0 ADAERN C[C@H](Sc1ncns1)[C@@H](C)O 87514973 573935264 /nfs/dbraw/zinc/93/52/64/573935264.db2.gz BOEOBWIHJXMPDX-UHNVWZDZSA-N 0 0 190.293 1.400 10 0 ADAERN Cc1noc(NCc2n[nH]cc2C)n1 716451896 573935292 /nfs/dbraw/zinc/93/52/92/573935292.db2.gz RHHJOZFHLCTPDK-UHFFFAOYSA-N 0 0 193.210 1.022 10 0 ADAERN CCCC1(C)CNC(=O)NC1 238196587 573935293 /nfs/dbraw/zinc/93/52/93/573935293.db2.gz MMMPHFBIZVNJBB-UHFFFAOYSA-N 0 0 156.229 1.106 10 0 ADAERN COCC1(c2ccc(CO)cc2)CC1 259585682 573935304 /nfs/dbraw/zinc/93/53/04/573935304.db2.gz YPGDOBRTEAOOMU-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN Cc1ccn(C[C@@H](O)C(C)C)c(=O)c1 87539173 573935310 /nfs/dbraw/zinc/93/53/10/573935310.db2.gz LMBMGRZXFUEFSF-SNVBAGLBSA-N 0 0 195.262 1.174 10 0 ADAERN CSCc1cc(N)sn1 257908989 573935348 /nfs/dbraw/zinc/93/53/48/573935348.db2.gz LUISLPCZXCTSEX-UHFFFAOYSA-N 0 0 160.267 1.588 10 0 ADAERN C[C@H](N)C(F)(F)c1ccc[nH]1 259017717 573935345 /nfs/dbraw/zinc/93/53/45/573935345.db2.gz CRWOQYZMCNHTAN-YFKPBYRVSA-N 0 0 160.167 1.454 10 0 ADAERN Cn1cnc2cc(N)nc(C3CC3)c21 257905381 573935355 /nfs/dbraw/zinc/93/53/55/573935355.db2.gz ZKSBFKUZUCXEEW-UHFFFAOYSA-N 0 0 188.234 1.428 10 0 ADAERN CC1(C)C2CCC(CC2)[C@H]1NC(N)=O 238196545 573935369 /nfs/dbraw/zinc/93/53/69/573935369.db2.gz LSTHQIYIOQQILU-AMDVSUOASA-N 0 0 196.294 1.870 10 0 ADAERN OCc1nccc(-c2cccnc2)n1 259017666 573935399 /nfs/dbraw/zinc/93/53/99/573935399.db2.gz FWWDUCRJKARBKX-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN CCO[C@@H](CC)C(=O)COC 131768006 573935400 /nfs/dbraw/zinc/93/54/00/573935400.db2.gz ARWQJYOCRAICPX-QMMMGPOBSA-N 0 0 160.213 1.017 10 0 ADAERN Nc1coc(Oc2ccc(O)cc2)n1 257905237 573935415 /nfs/dbraw/zinc/93/54/15/573935415.db2.gz OUSIZWSNEDZDER-UHFFFAOYSA-N 0 0 192.174 1.755 10 0 ADAERN COCN(C)Cc1ccccc1OC 259017498 573935430 /nfs/dbraw/zinc/93/54/30/573935430.db2.gz GUMVGKQKRDJNSF-UHFFFAOYSA-N 0 0 195.262 1.731 10 0 ADAERN CC1=C2OC(=O)C=C2CCC1 238196497 573935439 /nfs/dbraw/zinc/93/54/39/573935439.db2.gz SPDMOHSFJBKILD-UHFFFAOYSA-N 0 0 150.177 1.928 10 0 ADAERN C[C@H](C(N)=O)c1ccccc1Cl 81138035 573935459 /nfs/dbraw/zinc/93/54/59/573935459.db2.gz LEPALPGKXSJEOJ-LURJTMIESA-N 0 0 183.638 1.929 10 0 ADAERN CC(=O)Cc1cc(N)c(F)c(F)c1 259585757 573935490 /nfs/dbraw/zinc/93/54/90/573935490.db2.gz YREBITCIEOHXHJ-UHFFFAOYSA-N 0 0 185.173 1.679 10 0 ADAERN CC1(C)C2CC(C2)[C@H]1O 238196295 573935501 /nfs/dbraw/zinc/93/55/01/573935501.db2.gz NRYHZEKQVZGIMF-KPGICGJXSA-N 0 0 126.199 1.413 10 0 ADAERN Cc1cnn(C[C@@H](O)C(C)C)c1 87539058 573935503 /nfs/dbraw/zinc/93/55/03/573935503.db2.gz MDOHKCMQUGGSDB-SECBINFHSA-N 0 0 168.240 1.208 10 0 ADAERN Oc1cccc([C@@]2(O)CCSC2)c1 257905332 573935541 /nfs/dbraw/zinc/93/55/41/573935541.db2.gz ZJIBGJVDJJXEPL-SNVBAGLBSA-N 0 0 196.271 1.717 10 0 ADAERN CC(C)C[C@H]([NH3+])C[C@H](C)C(=O)[O-] 259585236 573935565 /nfs/dbraw/zinc/93/55/65/573935565.db2.gz ZKUJFDYKNBCEAI-YUMQZZPRSA-N 0 0 173.256 1.471 10 0 ADAERN COC(=O)[C@@]1(c2ccco2)C[C@@H]1C 259586064 573935578 /nfs/dbraw/zinc/93/55/78/573935578.db2.gz KVJGIFNRIJZDKN-XVKPBYJWSA-N 0 0 180.203 1.730 10 0 ADAERN CCCOC[C@H](NC)c1coc(C)n1 308465379 573935592 /nfs/dbraw/zinc/93/55/92/573935592.db2.gz HSEXYCCMCNYBCL-VIFPVBQESA-N 0 0 198.266 1.670 10 0 ADAERN CCC(=O)CSc1ncns1 87515665 573935597 /nfs/dbraw/zinc/93/55/97/573935597.db2.gz PFLSCRGULYJVMP-UHFFFAOYSA-N 0 0 188.277 1.609 10 0 ADAERN C[C@@H](CO)Cn1cccc1 81126054 573935605 /nfs/dbraw/zinc/93/56/05/573935605.db2.gz LKTNMFHUWCIRQN-MRVPVSSYSA-N 0 0 139.198 1.117 10 0 ADAERN CC1CC(C(N)=O)(c2ccccc2)C1 238197143 573935607 /nfs/dbraw/zinc/93/56/07/573935607.db2.gz RDQNVPCEEMQXGU-UHFFFAOYSA-N 0 0 189.258 1.840 10 0 ADAERN COc1ccccc1-c1nc(=O)[nH]o1 257909099 573935609 /nfs/dbraw/zinc/93/56/09/573935609.db2.gz FHBFRQYGOAWCHX-UHFFFAOYSA-N 0 0 192.174 1.451 10 0 ADAERN CC1(C)C=C2CC(=O)[C@H]21 238196942 573935626 /nfs/dbraw/zinc/93/56/26/573935626.db2.gz NTDALJQHGBKUEV-ZETCQYMHSA-N 0 0 122.167 1.542 10 0 ADAERN C[C@@H](C(N)=O)c1ccccc1Cl 81138036 573935629 /nfs/dbraw/zinc/93/56/29/573935629.db2.gz LEPALPGKXSJEOJ-ZCFIWIBFSA-N 0 0 183.638 1.929 10 0 ADAERN CC[C@@]1(C)OCC(C)(C)N1O 103610324 573935644 /nfs/dbraw/zinc/93/56/44/573935644.db2.gz QMRWLYIBEMOECY-MRVPVSSYSA-N 0 0 158.221 1.569 10 0 ADAERN CCCCCN1NCCCC1=O 258522682 573935662 /nfs/dbraw/zinc/93/56/62/573935662.db2.gz MJXFHUIEINQRJH-UHFFFAOYSA-N 0 0 170.256 1.304 10 0 ADAERN Cc1cc(N)nc2ccc(CO)cc12 257905393 573935666 /nfs/dbraw/zinc/93/56/66/573935666.db2.gz ZLEAZHLTWPVKET-UHFFFAOYSA-N 0 0 188.230 1.618 10 0 ADAERN Cc1cccn(C[C@H](O)C(C)C)c1=O 87539186 573935669 /nfs/dbraw/zinc/93/56/69/573935669.db2.gz VDSHALDPJIPJJE-JTQLQIEISA-N 0 0 195.262 1.174 10 0 ADAERN CCOc1ccncc1[C@@H](C)[C@H](C)O 308465293 573935678 /nfs/dbraw/zinc/93/56/78/573935678.db2.gz GXBLOHKTARUPHA-IUCAKERBSA-N 0 0 195.262 1.965 10 0 ADAERN CCOc1ccncc1[C@@H](C)[C@@H](C)O 308465290 573935699 /nfs/dbraw/zinc/93/56/99/573935699.db2.gz GXBLOHKTARUPHA-DTWKUNHWSA-N 0 0 195.262 1.965 10 0 ADAERN C/C(Cl)=C(\Cl)CO 81173683 573935701 /nfs/dbraw/zinc/93/57/01/573935701.db2.gz YJFNUDPKCNTFDL-ONEGZZNKSA-N 0 0 140.997 1.688 10 0 ADAERN Oc1cccc([C@]2(O)CCSC2)c1 257905329 573935713 /nfs/dbraw/zinc/93/57/13/573935713.db2.gz ZJIBGJVDJJXEPL-JTQLQIEISA-N 0 0 196.271 1.717 10 0 ADAERN O[C@H]1CC[C@H](CNc2ccncn2)C1 81139838 573935741 /nfs/dbraw/zinc/93/57/41/573935741.db2.gz XXLKGJOZXFNJBI-IUCAKERBSA-N 0 0 193.250 1.050 10 0 ADAERN C[C@H](O)[C@@H](C)Sc1ncns1 87514967 573935759 /nfs/dbraw/zinc/93/57/59/573935759.db2.gz BOEOBWIHJXMPDX-CRCLSJGQSA-N 0 0 190.293 1.400 10 0 ADAERN C=Cc1ccc([C@H]([NH3+])C(=O)[O-])cc1 81165345 573935767 /nfs/dbraw/zinc/93/57/67/573935767.db2.gz OJMPFWAWEWXHLB-VIFPVBQESA-N 0 0 177.203 1.414 10 0 ADAERN C/C=C\C(=O)N(C)[C@H]1C[C@@H](OC)C1 308465751 573935774 /nfs/dbraw/zinc/93/57/74/573935774.db2.gz JAHWBQIOWMWKEZ-OYVWTVQESA-N 0 0 183.251 1.198 10 0 ADAERN CCc1nc(C)cn1[C@H]1CC[C@H]1O 715071786 573935777 /nfs/dbraw/zinc/93/57/77/573935777.db2.gz IRWVVWYPVNMFAU-DTWKUNHWSA-N 0 0 180.251 1.450 10 0 ADAERN CC(=O)[C@H](N)c1cc(CO)ccc1C 238197435 573935778 /nfs/dbraw/zinc/93/57/78/573935778.db2.gz 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/nfs/dbraw/zinc/93/59/95/573935995.db2.gz HHBVHBHBQPNFDW-UHFFFAOYSA-N 0 0 194.156 1.635 10 0 ADAERN Oc1ccccc1[C@]1(O)CCSC1 257905354 573935997 /nfs/dbraw/zinc/93/59/97/573935997.db2.gz ZJWATMQBSVKXHW-JTQLQIEISA-N 0 0 196.271 1.717 10 0 ADAERN COC(=O)c1nc(C)[nH]c1C(C)(C)C 259586354 573936010 /nfs/dbraw/zinc/93/60/10/573936010.db2.gz ZHGQJIAIQTYDPE-UHFFFAOYSA-N 0 0 196.250 1.802 10 0 ADAERN CC(C)[C@H](O)CN1CCCCCC1=O 87539013 573936022 /nfs/dbraw/zinc/93/60/22/573936022.db2.gz ZDXPFAFSHUPHQR-SNVBAGLBSA-N 0 0 199.294 1.406 10 0 ADAERN COC(=O)C(F)(F)C[C@@H]1CCCO1 257909429 573936025 /nfs/dbraw/zinc/93/60/25/573936025.db2.gz ZYVHUYPYKALQGM-LURJTMIESA-N 0 0 194.177 1.364 10 0 ADAERN Cc1cc(C)n(C[C@@H](O)C(C)C)n1 87538962 573936048 /nfs/dbraw/zinc/93/60/48/573936048.db2.gz TUXLYVAEUHYEHJ-SNVBAGLBSA-N 0 0 182.267 1.517 10 0 ADAERN CC1=C(C)CC(CO)(CO)C1 238196115 573936139 /nfs/dbraw/zinc/93/61/39/573936139.db2.gz YGTMHZARINOJLV-UHFFFAOYSA-N 0 0 156.225 1.088 10 0 ADAERN 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/nfs/dbraw/zinc/94/19/02/573941902.db2.gz CUDKKLKUTMDELK-NSHDSACASA-N 0 0 196.246 1.412 10 0 ADAERN OCc1noc2c1Cc1ccccc1-2 87547613 573941928 /nfs/dbraw/zinc/94/19/28/573941928.db2.gz WSHFJQAMPKCMDF-UHFFFAOYSA-N 0 0 187.198 1.738 10 0 ADAERN Fc1ncccc1O[C@H]1CCOC1 87542446 573941955 /nfs/dbraw/zinc/94/19/55/573941955.db2.gz WEBYQZWNPOFWPQ-ZETCQYMHSA-N 0 0 183.182 1.388 10 0 ADAERN OCCCc1ccc2c(c1)COCO2 258184269 573941829 /nfs/dbraw/zinc/94/18/29/573941829.db2.gz WUOHPDASAYBZHD-UHFFFAOYSA-N 0 0 194.230 1.478 10 0 ADAERN CC1(C)CC(=O)[C@@H]2C=C[C@H]21 238200575 573941858 /nfs/dbraw/zinc/94/18/58/573941858.db2.gz RILQOZJNIPMRNV-RNFRBKRXSA-N 0 0 136.194 1.788 10 0 ADAERN Cc1ccnn1C[C@H](O)C(C)C 87539240 573941865 /nfs/dbraw/zinc/94/18/65/573941865.db2.gz CTGSPTNJOSWWOK-VIFPVBQESA-N 0 0 168.240 1.208 10 0 ADAERN CC[C@H]1CCc2onc(CO)c2C1 87547621 573941871 /nfs/dbraw/zinc/94/18/71/573941871.db2.gz SIPKBOHYOXYPNA-ZETCQYMHSA-N 0 0 181.235 1.682 10 0 ADAERN Cc1c(-c2ccc(C=O)o2)cnn1C 235838021 573942788 /nfs/dbraw/zinc/94/27/88/573942788.db2.gz WZNSHPDBPLUZSF-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN CC(C)C(=O)[C@H](O)c1ccco1 238202699 573942794 /nfs/dbraw/zinc/94/27/94/573942794.db2.gz CSCDULJMWAMQBR-SECBINFHSA-N 0 0 168.192 1.538 10 0 ADAERN CC1(C)CC(=O)c2ccncc21 238203131 573942838 /nfs/dbraw/zinc/94/28/38/573942838.db2.gz AUZXLMNEQNNDTA-UHFFFAOYSA-N 0 0 161.204 1.946 10 0 ADAERN CC1(c2ncc(N)cn2)CC1 87548708 573942816 /nfs/dbraw/zinc/94/28/16/573942816.db2.gz SMSXCTYPYACAFA-UHFFFAOYSA-N 0 0 149.197 1.110 10 0 ADAERN CC1(c2cc(CO)no2)CC1 87547566 573942824 /nfs/dbraw/zinc/94/28/24/573942824.db2.gz LFODXEPIBUXGLP-UHFFFAOYSA-N 0 0 153.181 1.218 10 0 ADAERN Cc1[nH]c(-c2cccnc2)nc1O 235837016 573942834 /nfs/dbraw/zinc/94/28/34/573942834.db2.gz RRANKTNWZMQAQD-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN CC(C)O[C@@H]1C[C@@H]2CCC(=O)[C@@H]21 238202323 573943890 /nfs/dbraw/zinc/94/38/90/573943890.db2.gz MIAXCVFZQQWIQH-FXBDTBDDSA-N 0 0 168.236 1.779 10 0 ADAERN CC(=O)[C@@]1(C)C[C@@H]1C(=O)C(C)C 238203069 573943795 /nfs/dbraw/zinc/94/37/95/573943795.db2.gz OWUFTOOHVGGQGY-PSASIEDQSA-N 0 0 168.236 1.827 10 0 ADAERN CC(C)N1C(=O)C[C@@H]2CCC(=O)C[C@H]21 238201782 573943634 /nfs/dbraw/zinc/94/36/34/573943634.db2.gz VNLQIZMCYYYJSY-WCBMZHEXSA-N 0 0 195.262 1.365 10 0 ADAERN COC(C[C@@](C)(O)C(C)C)OC 84995718 573943637 /nfs/dbraw/zinc/94/36/37/573943637.db2.gz RTGOOAKSWRWOIY-SECBINFHSA-N 0 0 176.256 1.402 10 0 ADAERN CCn1ccnc1C(=O)C1(C)CC1 87549268 573943657 /nfs/dbraw/zinc/94/36/57/573943657.db2.gz KCAOJTZBSNTFIQ-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN CC1([C@@H](O)CC2CC2)CC1 87549665 573943663 /nfs/dbraw/zinc/94/36/63/573943663.db2.gz ACSWUNGMBJIXPR-QMMMGPOBSA-N 0 0 140.226 1.948 10 0 ADAERN CC1([C@@H](O)Cc2ccncc2)CC1 87549543 573943684 /nfs/dbraw/zinc/94/36/84/573943684.db2.gz ACPICLLKVDKFLW-JTQLQIEISA-N 0 0 177.247 1.785 10 0 ADAERN C[C@H](CO)c1ccc2n[nH]cc2c1 257907070 573943718 /nfs/dbraw/zinc/94/37/18/573943718.db2.gz AAJZMLLKLZNGKI-SSDOTTSWSA-N 0 0 176.219 1.659 10 0 ADAERN COC(=O)C=C(C)N[C@@H](C)C1CC1 308469190 573943746 /nfs/dbraw/zinc/94/37/46/573943746.db2.gz JZOUISXZXWVABO-UAPHAKCISA-N 0 0 183.251 1.451 10 0 ADAERN CC(C)CCCn1nncc1[C@H](C)O 308469736 573943748 /nfs/dbraw/zinc/94/37/48/573943748.db2.gz IEYXGKILHHIELV-VIFPVBQESA-N 0 0 197.282 1.768 10 0 ADAERN COC[C@@H](O)c1sccc1OC 123158732 573943762 /nfs/dbraw/zinc/94/37/62/573943762.db2.gz VBMLCHGQNTYQEZ-ZCFIWIBFSA-N 0 0 188.248 1.437 10 0 ADAERN CC1([C@H](O)C2CCOCC2)CC1 87550036 573943779 /nfs/dbraw/zinc/94/37/79/573943779.db2.gz OOTLPCFYIAZCGS-SECBINFHSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1cnc(N)c(C(=O)C2(C)CC2)c1 87549362 573943805 /nfs/dbraw/zinc/94/38/05/573943805.db2.gz JFRXONAQVFQPEY-UHFFFAOYSA-N 0 0 190.246 1.955 10 0 ADAERN CC(C)C[C@H](C)[C@@]1(C(=O)[O-])CC[NH2+]C1 308470121 573943818 /nfs/dbraw/zinc/94/38/18/573943818.db2.gz IXSIPYWZTZBRGE-GXSJLCMTSA-N 0 0 199.294 1.733 10 0 ADAERN CC(=O)[C@H]1Cc2cc(F)ccc2N1C 258187177 573943827 /nfs/dbraw/zinc/94/38/27/573943827.db2.gz SZPSUIXVOTYJQE-LLVKDONJSA-N 0 0 193.221 1.776 10 0 ADAERN C[C@]1(c2nc(C=O)cs2)CCOC1 258186692 573943846 /nfs/dbraw/zinc/94/38/46/573943846.db2.gz VNGOMYNWQHRNBN-VIFPVBQESA-N 0 0 197.259 1.634 10 0 ADAERN CC1(C(=O)Cc2ccnc(N)c2)CC1 87549128 573943854 /nfs/dbraw/zinc/94/38/54/573943854.db2.gz DTNOZBDQVXQXSZ-UHFFFAOYSA-N 0 0 190.246 1.576 10 0 ADAERN Cc1[nH]c(C2CCOCC2)nc1O 235829152 573943930 /nfs/dbraw/zinc/94/39/30/573943930.db2.gz ZYEYALZAELVMJZ-UHFFFAOYSA-N 0 0 182.223 1.318 10 0 ADAERN CCC1(C[NH2+]C/C=C\C(=O)[O-])CCC1 308470641 573943932 /nfs/dbraw/zinc/94/39/32/573943932.db2.gz KQYZLTZWYQHPNJ-HYXAFXHYSA-N 0 0 197.278 1.797 10 0 ADAERN CCC(=O)C[C@]1(C)CC(C)(C)C(=O)N1 238202954 573943941 /nfs/dbraw/zinc/94/39/41/573943941.db2.gz CNNRDEQFKFMJQN-LLVKDONJSA-N 0 0 197.278 1.660 10 0 ADAERN CC1([C@@H](O)C2CC2)CC1 87549453 573943944 /nfs/dbraw/zinc/94/39/44/573943944.db2.gz FHYUXNBFUOAPAW-ZETCQYMHSA-N 0 0 126.199 1.557 10 0 ADAERN CC1([C@@H](O)Cc2ccccn2)CC1 87549669 573943952 /nfs/dbraw/zinc/94/39/52/573943952.db2.gz QDHDDCNRIAICOB-JTQLQIEISA-N 0 0 177.247 1.785 10 0 ADAERN Cc1cc(N)c2nn(C)c(C)c2c1 259586960 573943967 /nfs/dbraw/zinc/94/39/67/573943967.db2.gz YAEQAYDHWLMIRQ-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN C=C/C=C\OCC(C)(C)CO 216139179 573943978 /nfs/dbraw/zinc/94/39/78/573943978.db2.gz ZDJLXILRXNRMFO-WAYWQWQTSA-N 0 0 156.225 1.721 10 0 ADAERN CCC1([C@H](Cc2ccoc2)NN)CC1 308470104 573944013 /nfs/dbraw/zinc/94/40/13/573944013.db2.gz BKQFCZHJRXNIDR-JTQLQIEISA-N 0 0 194.278 1.844 10 0 ADAERN CCC(=O)C[C@H]1CCCOC1=O 238202789 573944019 /nfs/dbraw/zinc/94/40/19/573944019.db2.gz VGQZTQPGRLTXDD-SSDOTTSWSA-N 0 0 170.208 1.309 10 0 ADAERN COCCC[NH2+]Cc1cnoc1C 585365129 573944029 /nfs/dbraw/zinc/94/40/29/573944029.db2.gz HZNJDRJHTRXGEF-UHFFFAOYSA-N 0 0 184.239 1.109 10 0 ADAERN Cc1[nH]c(C[C@H]2CCCO2)nc1O 235831236 573944042 /nfs/dbraw/zinc/94/40/42/573944042.db2.gz BJVMKVZCDWPLSR-SSDOTTSWSA-N 0 0 182.223 1.145 10 0 ADAERN CC(C)OC[C@H](O)C1(C)CC1 87550467 573944054 /nfs/dbraw/zinc/94/40/54/573944054.db2.gz ORVUNTHGYQXELN-QMMMGPOBSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)C[C@@H](C)C(=O)[C@H]1COCCN1 308469666 573944069 /nfs/dbraw/zinc/94/40/69/573944069.db2.gz ITUOLUHLFZQWLN-NXEZZACHSA-N 0 0 199.294 1.226 10 0 ADAERN COc1cccc(F)c1C[C@H](C)O 258186772 573944081 /nfs/dbraw/zinc/94/40/81/573944081.db2.gz WYJWIRHDKFKHKN-ZETCQYMHSA-N 0 0 184.210 1.758 10 0 ADAERN CC1CCC(NC2=NCCO2)CC1 238202752 573944085 /nfs/dbraw/zinc/94/40/85/573944085.db2.gz MUKZAKFWBWTARP-UHFFFAOYSA-N 0 0 182.267 1.541 10 0 ADAERN Cc1cc(C[C@@H](O)C2(C)CC2)n(C)n1 87549983 573944089 /nfs/dbraw/zinc/94/40/89/573944089.db2.gz VLZQAROMDHFHSC-SNVBAGLBSA-N 0 0 194.278 1.432 10 0 ADAERN Cn1nccc1[C@H](O)C1(C)CC1 87550310 573944096 /nfs/dbraw/zinc/94/40/96/573944096.db2.gz YMYTVGQVPXQIAB-QMMMGPOBSA-N 0 0 166.224 1.254 10 0 ADAERN CN(C)[C@@H](O)c1ccccc1F 259245995 573944108 /nfs/dbraw/zinc/94/41/08/573944108.db2.gz BGRMMIDILOYGTJ-VIFPVBQESA-N 0 0 169.199 1.378 10 0 ADAERN CC(C)C[C@H](C)C(=O)[C@H]1COCCN1 308469670 573944373 /nfs/dbraw/zinc/94/43/73/573944373.db2.gz ITUOLUHLFZQWLN-VHSXEESVSA-N 0 0 199.294 1.226 10 0 ADAERN CC(=O)c1noc(C(C)(C)C)n1 258187425 573944124 /nfs/dbraw/zinc/94/41/24/573944124.db2.gz YKGQDWRDVJBGSE-UHFFFAOYSA-N 0 0 168.196 1.570 10 0 ADAERN CC(C)NC(=N)C(F)(F)C(F)F 238203728 573944129 /nfs/dbraw/zinc/94/41/29/573944129.db2.gz MUWOWCLBFCNHLP-UHFFFAOYSA-N 0 0 186.152 1.862 10 0 ADAERN Cc1cc(C)c2c(c1C)C(=O)NCC2 235831941 573944141 /nfs/dbraw/zinc/94/41/41/573944141.db2.gz YBXKQCMDNNVIKH-UHFFFAOYSA-N 0 0 189.258 1.898 10 0 ADAERN CO[C@@H]1CNc2cc(F)ccc2C1 257907577 573944147 /nfs/dbraw/zinc/94/41/47/573944147.db2.gz PVDHSKLUWHAXKK-VIFPVBQESA-N 0 0 181.210 1.809 10 0 ADAERN CC(C)CCCn1nncc1[C@@H](C)O 308469735 573944161 /nfs/dbraw/zinc/94/41/61/573944161.db2.gz IEYXGKILHHIELV-SECBINFHSA-N 0 0 197.282 1.768 10 0 ADAERN CC(C)O[C@H]1C[C@H](C)NC(=O)N1C 238203800 573944162 /nfs/dbraw/zinc/94/41/62/573944162.db2.gz UMYITGYOYKUTID-YUMQZZPRSA-N 0 0 186.255 1.171 10 0 ADAERN CC1(C(=O)Cc2cccnc2N)CC1 87549065 573944165 /nfs/dbraw/zinc/94/41/65/573944165.db2.gz PNUCPXKRVSMDHJ-UHFFFAOYSA-N 0 0 190.246 1.576 10 0 ADAERN CC(C)C(=O)C1=C(O)C[C@@H](C)C1 238202998 573944167 /nfs/dbraw/zinc/94/41/67/573944167.db2.gz PIGAJBAJQWJONL-YUMQZZPRSA-N 0 0 168.236 1.827 10 0 ADAERN COCc1c(F)ccc(C=O)c1F 257907356 573944177 /nfs/dbraw/zinc/94/41/77/573944177.db2.gz AEWUWWWBZOITMP-UHFFFAOYSA-N 0 0 186.157 1.924 10 0 ADAERN Cn1cc([C@H](O)C2(C)CC2)cn1 87550433 573944179 /nfs/dbraw/zinc/94/41/79/573944179.db2.gz QAVSRLYTNDEJMF-QMMMGPOBSA-N 0 0 166.224 1.254 10 0 ADAERN CC1([C@H](O)[C@H]2CCOC2)CC1 87549817 573944378 /nfs/dbraw/zinc/94/43/78/573944378.db2.gz GIPKBWAQVVRZNR-JGVFFNPUSA-N 0 0 156.225 1.184 10 0 ADAERN CC1(C)CC(=O)[C@](C)([C@@H]2CO2)C1 238202038 573944194 /nfs/dbraw/zinc/94/41/94/573944194.db2.gz WQUUFRUPQBTDMH-WCBMZHEXSA-N 0 0 168.236 1.781 10 0 ADAERN Cc1nccn(CCCC(C)C)c1=O 308469719 573944206 /nfs/dbraw/zinc/94/42/06/573944206.db2.gz IEQCVFVVGUHBDQ-UHFFFAOYSA-N 0 0 194.278 1.988 10 0 ADAERN COC[C@@H](O)C1C(C)(C)C1(C)C 123159434 573944215 /nfs/dbraw/zinc/94/42/15/573944215.db2.gz KICGJGFDVNQXJU-SSDOTTSWSA-N 0 0 172.268 1.676 10 0 ADAERN CC1(C(=O)c2cccnc2N)CC1 87549274 573944221 /nfs/dbraw/zinc/94/42/21/573944221.db2.gz KUSIYAXKUKZQFZ-UHFFFAOYSA-N 0 0 176.219 1.647 10 0 ADAERN Cc1[nH]c(-c2ccncc2)nc1O 235837273 573944232 /nfs/dbraw/zinc/94/42/32/573944232.db2.gz IEYHHFUIDUELKP-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN CC1(C)CC(=O)[C@H]2O[C@]21C 238201837 573944234 /nfs/dbraw/zinc/94/42/34/573944234.db2.gz ZWZJYLJEPHNMAC-HTRCEHHLSA-N 0 0 140.182 1.143 10 0 ADAERN Cn1ccnc1[C@@H](O)C1(C)CC1 87549508 573944236 /nfs/dbraw/zinc/94/42/36/573944236.db2.gz BEHLQWCXHGLVPB-SSDOTTSWSA-N 0 0 166.224 1.254 10 0 ADAERN CC(C)N1C(=O)C[C@H]2CCC(=O)C[C@H]21 238201769 573944256 /nfs/dbraw/zinc/94/42/56/573944256.db2.gz VNLQIZMCYYYJSY-PSASIEDQSA-N 0 0 195.262 1.365 10 0 ADAERN CC1(C)CC(=O)c2cc(CO)oc2C1 238202621 573944266 /nfs/dbraw/zinc/94/42/66/573944266.db2.gz LCALGELQHNRLBC-UHFFFAOYSA-N 0 0 194.230 1.927 10 0 ADAERN CC(C)[C@]1(C)C=C[C@H](O)C1 238201766 573944291 /nfs/dbraw/zinc/94/42/91/573944291.db2.gz NURGCUUBIWJPGW-DTWKUNHWSA-N 0 0 140.226 1.970 10 0 ADAERN CC1(C(=O)Cc2ccncc2)CC1 87548932 573944294 /nfs/dbraw/zinc/94/42/94/573944294.db2.gz CCBVRVNYGVECRP-UHFFFAOYSA-N 0 0 175.231 1.993 10 0 ADAERN CC1([C@H](O)C2CC2)CC1 87549451 573944387 /nfs/dbraw/zinc/94/43/87/573944387.db2.gz FHYUXNBFUOAPAW-SSDOTTSWSA-N 0 0 126.199 1.557 10 0 ADAERN Cc1c(N)nc([C@H]2CC2(C)C)[nH]c1=O 235826232 573944404 /nfs/dbraw/zinc/94/44/04/573944404.db2.gz LPYRAVFDMNGVDB-ZCFIWIBFSA-N 0 0 193.250 1.174 10 0 ADAERN Cn1ccnc1C[C@@H](O)C1(C)CC1 87549998 573944407 /nfs/dbraw/zinc/94/44/07/573944407.db2.gz TWXYABALEBXMMM-MRVPVSSYSA-N 0 0 180.251 1.124 10 0 ADAERN Nc1noc(-c2ccccc2O)n1 258187257 573944302 /nfs/dbraw/zinc/94/43/02/573944302.db2.gz YIKXAGBENXUHDX-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN Cn1cc(C(=O)C2(C)CC2)cn1 87549354 573944325 /nfs/dbraw/zinc/94/43/25/573944325.db2.gz BRNZVUQEQGFNMX-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN CC(=O)[C@]1(C)C[C@@H]1C(=O)C(C)C 238202976 573944327 /nfs/dbraw/zinc/94/43/27/573944327.db2.gz OWUFTOOHVGGQGY-SCZZXKLOSA-N 0 0 168.236 1.827 10 0 ADAERN CC1([C@H](O)CC2CCOCC2)CC1 87550435 573944329 /nfs/dbraw/zinc/94/43/29/573944329.db2.gz AYAQDNINQCEMKE-SNVBAGLBSA-N 0 0 184.279 1.964 10 0 ADAERN CCn1nccc1C(=O)C1(C)CC1 87549062 573944335 /nfs/dbraw/zinc/94/43/35/573944335.db2.gz JTRQMRFCXYBYTB-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN CCn1ccnc1[C@H](O)C1(C)CC1 87549821 573944338 /nfs/dbraw/zinc/94/43/38/573944338.db2.gz YQZJCZMVIXEANU-QMMMGPOBSA-N 0 0 180.251 1.737 10 0 ADAERN CONCc1cc(OC)c(C)cc1F 258185613 573944341 /nfs/dbraw/zinc/94/43/41/573944341.db2.gz RFOUSFBKLZPCCK-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)CO1 402382972 573944356 /nfs/dbraw/zinc/94/43/56/573944356.db2.gz OAYJRTODZSQRSK-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN CCC(CC)[C@H](O)Cc1cnn(C)n1 308469313 573945271 /nfs/dbraw/zinc/94/52/71/573945271.db2.gz HNBUWEBZCIQOJX-SNVBAGLBSA-N 0 0 197.282 1.155 10 0 ADAERN CC1(C(=O)C2CCOCC2)CC1 87549334 573945241 /nfs/dbraw/zinc/94/52/41/573945241.db2.gz YABWGNNPWXNXAJ-UHFFFAOYSA-N 0 0 168.236 1.782 10 0 ADAERN Cc1cc([C@@H](C)CO)cc2c1OCO2 258186755 573945242 /nfs/dbraw/zinc/94/52/42/573945242.db2.gz WYECVADEXZZQTL-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN COc1ccc2c(c1)[C@@H]1C[C@@H]1N2 257907239 573945243 /nfs/dbraw/zinc/94/52/43/573945243.db2.gz LNOMIVYKWCQINI-WPRPVWTQSA-N 0 0 161.204 1.977 10 0 ADAERN CCn1nccc1[C@H](O)C1(C)CC1 87549674 573945256 /nfs/dbraw/zinc/94/52/56/573945256.db2.gz VFRBIPJGKVNIKX-VIFPVBQESA-N 0 0 180.251 1.737 10 0 ADAERN Cc1[nH]c(Cc2ccccn2)nc1O 235832189 573945286 /nfs/dbraw/zinc/94/52/86/573945286.db2.gz IPXKRBFZDRKAPW-UHFFFAOYSA-N 0 0 189.218 1.410 10 0 ADAERN CCCOC(=O)c1cccc(N)c1F 308469273 573945289 /nfs/dbraw/zinc/94/52/89/573945289.db2.gz HKVHDROIBFCDCA-UHFFFAOYSA-N 0 0 197.209 1.975 10 0 ADAERN Cc1ccnc(N)c1[C@H](O)C1(C)CC1 87549678 573945307 /nfs/dbraw/zinc/94/53/07/573945307.db2.gz ZXMLMTHZJPIKAX-VIFPVBQESA-N 0 0 192.262 1.806 10 0 ADAERN CCCC[NH2+]Cc1cnoc1C 585365105 573945312 /nfs/dbraw/zinc/94/53/12/573945312.db2.gz DNZBQHFFQLZQRD-UHFFFAOYSA-N 0 0 168.240 1.873 10 0 ADAERN CC1([C@@H](O)Cc2nccs2)CC1 87549571 573945320 /nfs/dbraw/zinc/94/53/20/573945320.db2.gz DZAAXOQMRUWJGF-ZETCQYMHSA-N 0 0 183.276 1.847 10 0 ADAERN CC1(C)O[C@](C)([C@@H]2CO2)CC[C@@H]1O 238202622 573945325 /nfs/dbraw/zinc/94/53/25/573945325.db2.gz MZCXXJXIYVGDLS-NRPADANISA-N 0 0 186.251 1.094 10 0 ADAERN Cn1cc(CC(=O)C2(C)CC2)cn1 87549337 573945332 /nfs/dbraw/zinc/94/53/32/573945332.db2.gz FGEGQJMTARDUGZ-UHFFFAOYSA-N 0 0 178.235 1.332 10 0 ADAERN Cn1nccc1[C@@H](O)C1(C)CC1 87550308 573945338 /nfs/dbraw/zinc/94/53/38/573945338.db2.gz YMYTVGQVPXQIAB-MRVPVSSYSA-N 0 0 166.224 1.254 10 0 ADAERN CCC[C@H](C)Cn1nncc1[C@H](C)O 308469667 573945340 /nfs/dbraw/zinc/94/53/40/573945340.db2.gz IDLBBWFJVWXDPD-IUCAKERBSA-N 0 0 197.282 1.768 10 0 ADAERN CC(=O)[C@H](O)C(C)(C)Br 238206307 573946754 /nfs/dbraw/zinc/94/67/54/573946754.db2.gz RGBRCTGFYHGFBM-YFKPBYRVSA-N 0 0 195.056 1.110 10 0 ADAERN NOCc1ccc2c(c1O)CCC2 257915249 573946757 /nfs/dbraw/zinc/94/67/57/573946757.db2.gz BGSMRVYJMZUKQL-UHFFFAOYSA-N 0 0 179.219 1.271 10 0 ADAERN CC(C)(O)[C@@H]1COc2ccc(O)cc21 258187352 573946767 /nfs/dbraw/zinc/94/67/67/573946767.db2.gz TUAVJORYMOMJDC-SECBINFHSA-N 0 0 194.230 1.639 10 0 ADAERN CC(C)C(=O)N1C[C@@H](O)CC1(C)C 259244374 573946768 /nfs/dbraw/zinc/94/67/68/573946768.db2.gz SEAJHVCANYZHCE-QMMMGPOBSA-N 0 0 185.267 1.014 10 0 ADAERN C[N@@H+]1CCC2(CCCCC2)[C@@H]1C(=O)[O-] 257907692 573946798 /nfs/dbraw/zinc/94/67/98/573946798.db2.gz ZRXCLFPCFWQWBE-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN Cc1nc(C2CC2)nc(N)c1F 85005461 573948829 /nfs/dbraw/zinc/94/88/29/573948829.db2.gz ZVDFCSKGTWGUKR-UHFFFAOYSA-N 0 0 167.187 1.384 10 0 ADAERN C=CC1=C(C)[C@@H](O)[C@@H](CO)CC1 238204603 573946719 /nfs/dbraw/zinc/94/67/19/573946719.db2.gz PGMCCQXQWRRUQZ-NXEZZACHSA-N 0 0 168.236 1.252 10 0 ADAERN CC1(C)CC2(CCC2)CNC1=O 238204734 573946725 /nfs/dbraw/zinc/94/67/25/573946725.db2.gz GTWDZCQONHNWTA-UHFFFAOYSA-N 0 0 167.252 1.703 10 0 ADAERN Cn1cc(C[C@H](O)C2(C)CC2)cn1 87549445 573946731 /nfs/dbraw/zinc/94/67/31/573946731.db2.gz ZVMDWJODJAMFGR-VIFPVBQESA-N 0 0 180.251 1.124 10 0 ADAERN CC1=C(C)[C@]2(C)NC(=O)C(C)(C)[C@@H]12 238203961 573948273 /nfs/dbraw/zinc/94/82/73/573948273.db2.gz RJTLXCLYABIMLH-KCJUWKMLSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@@]1(CC(=O)[O-])CCC[N@@H+](C2CC2)C1 259249146 573948274 /nfs/dbraw/zinc/94/82/74/573948274.db2.gz FCQCHCWMHIAOGM-NSHDSACASA-N 0 0 197.278 1.726 10 0 ADAERN Cc1n[nH]c(C)c1OC(C)C 238206336 573949188 /nfs/dbraw/zinc/94/91/88/573949188.db2.gz FMXDOJVPGNCLKT-UHFFFAOYSA-N 0 0 154.213 1.814 10 0 ADAERN C[C@]1(CC(=O)[O-])CCC[N@@H+](C2CC2)C1 259249142 573948802 /nfs/dbraw/zinc/94/88/02/573948802.db2.gz FCQCHCWMHIAOGM-LLVKDONJSA-N 0 0 197.278 1.726 10 0 ADAERN Fc1cncc(N2CCC(F)CC2)n1 689829135 573948898 /nfs/dbraw/zinc/94/88/98/573948898.db2.gz ZHWCOOAKKCHFIO-UHFFFAOYSA-N 0 0 199.204 1.554 10 0 ADAERN Cc1nc([C@@H]2CCOC2)nc(N)c1F 85005331 573948971 /nfs/dbraw/zinc/94/89/71/573948971.db2.gz VQADHWAJTKBJHB-ZCFIWIBFSA-N 0 0 197.213 1.010 10 0 ADAERN CC1(C)Oc2ccccc2OC[C@H]1O 238204378 573949190 /nfs/dbraw/zinc/94/91/90/573949190.db2.gz JTJHOAXITJSDQQ-SNVBAGLBSA-N 0 0 194.230 1.597 10 0 ADAERN CC(=O)N[C@](C)(C(C)=O)C(C)C 238204506 573949194 /nfs/dbraw/zinc/94/91/94/573949194.db2.gz HBYFNAWQPYANMO-VIFPVBQESA-N 0 0 171.240 1.126 10 0 ADAERN Nc1[nH]ccc1C(=O)N1CCCCC1 257914598 573949226 /nfs/dbraw/zinc/94/92/26/573949226.db2.gz MNKNZDVOVOOUMP-UHFFFAOYSA-N 0 0 193.250 1.223 10 0 ADAERN CC1(C)CCC[C@H](O)[C@]1(C)O 238215286 573948297 /nfs/dbraw/zinc/94/82/97/573948297.db2.gz RJGDGBWNTNWYDJ-CBAPKCEASA-N 0 0 158.241 1.308 10 0 ADAERN CC[C@@H](C)c1nc(C)c(F)c(NN)n1 85006252 573948327 /nfs/dbraw/zinc/94/83/27/573948327.db2.gz JIKXGUAILBCZKB-RXMQYKEDSA-N 0 0 198.245 1.723 10 0 ADAERN Cc1nc(C(C)(C)C)nc(NN)c1F 85006028 573948348 /nfs/dbraw/zinc/94/83/48/573948348.db2.gz HGBZGZNLQHMVPW-UHFFFAOYSA-N 0 0 198.245 1.507 10 0 ADAERN CCC[C@@H](O)c1cncs1 87573368 573948356 /nfs/dbraw/zinc/94/83/56/573948356.db2.gz BXHFXNLMDSCGBK-ZCFIWIBFSA-N 0 0 157.238 1.977 10 0 ADAERN COCN(C)CCc1cccs1 259247737 573948366 /nfs/dbraw/zinc/94/83/66/573948366.db2.gz ZNEPXNFLQHAOAK-UHFFFAOYSA-N 0 0 185.292 1.826 10 0 ADAERN CC(C)O[C@H]1NC(=O)C[C@H]1C(C)(C)C 238203993 573948385 /nfs/dbraw/zinc/94/83/85/573948385.db2.gz GVPRGXRMIHBHSU-PSASIEDQSA-N 0 0 199.294 1.920 10 0 ADAERN CC1=C(C)[C@]2(C)NC(=O)C(C)(C)[C@H]12 238203978 573948402 /nfs/dbraw/zinc/94/84/02/573948402.db2.gz RJTLXCLYABIMLH-KWQFWETISA-N 0 0 179.263 1.867 10 0 ADAERN O=C(c1cncnc1)c1cncs1 87572682 573948404 /nfs/dbraw/zinc/94/84/04/573948404.db2.gz YUMMQZOMFJLPSF-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN O=C1N[C@@H]([C@H]2CCCCS2)CO1 258187578 573948411 /nfs/dbraw/zinc/94/84/11/573948411.db2.gz FJSKKVPIOLPIHS-RNFRBKRXSA-N 0 0 187.264 1.381 10 0 ADAERN COCc1cc(N)nc(C2(C)CC2)n1 87553729 573948419 /nfs/dbraw/zinc/94/84/19/573948419.db2.gz SKGRJTYBOUDXDF-UHFFFAOYSA-N 0 0 193.250 1.257 10 0 ADAERN CC(C)[C@]1(C)CC[C@](C)(O)O1 238208356 573950418 /nfs/dbraw/zinc/95/04/18/573950418.db2.gz HOVKSJQSNQXLLJ-DTWKUNHWSA-N 0 0 158.241 1.920 10 0 ADAERN O[C@@H]1CC[C@@H]2N=C(C3CCC3)O[C@@H]2C1 257913664 573948431 /nfs/dbraw/zinc/94/84/31/573948431.db2.gz ILPGPUGVCFUHAB-KXUCPTDWSA-N 0 0 195.262 1.497 10 0 ADAERN C/C=C/C(=O)N1C[C@@H](C)OC[C@@H]1CC 87555454 573948436 /nfs/dbraw/zinc/94/84/36/573948436.db2.gz MEBQOSKKBSBQRW-HANDCERCSA-N 0 0 197.278 1.588 10 0 ADAERN CC(C)[C@@]1(CO)CCCCC1=O 238205249 573948444 /nfs/dbraw/zinc/94/84/44/573948444.db2.gz BLACUWZGCTUKLE-JTQLQIEISA-N 0 0 170.252 1.764 10 0 ADAERN CCCNc1cccc(C(N)=S)n1 81598880 573948450 /nfs/dbraw/zinc/94/84/50/573948450.db2.gz BRDVKKIZXJNWBS-UHFFFAOYSA-N 0 0 195.291 1.538 10 0 ADAERN CC[C@@]1(C)CC(=O)N(CCC(C)=O)O1 257914708 573948457 /nfs/dbraw/zinc/94/84/57/573948457.db2.gz XJNWDAUOOSPCEF-JTQLQIEISA-N 0 0 199.250 1.298 10 0 ADAERN Cc1cc(N)nc(C2(C)CC2)n1 87553667 573948480 /nfs/dbraw/zinc/94/84/80/573948480.db2.gz UMXBUCADDMBANS-UHFFFAOYSA-N 0 0 163.224 1.419 10 0 ADAERN O=C1N[C@H](c2ccccc2)C[C@@H]2C[C@H]12 257914108 573948496 /nfs/dbraw/zinc/94/84/96/573948496.db2.gz QRNLDJSGMHIPHW-DCAQKATOSA-N 0 0 187.242 1.884 10 0 ADAERN CC(C)(C)Cc1cc(N)cnn1 257915527 573948501 /nfs/dbraw/zinc/94/85/01/573948501.db2.gz JKEDEBIEMJCSDK-UHFFFAOYSA-N 0 0 165.240 1.647 10 0 ADAERN OCc1cc2cccc(O)c2[nH]1 257915008 573948515 /nfs/dbraw/zinc/94/85/15/573948515.db2.gz QKRFUPPRYFEKMG-UHFFFAOYSA-N 0 0 163.176 1.366 10 0 ADAERN C[N@H+](CC(C)(C)C)C(C)(C)C(=O)[O-] 45092066 573948519 /nfs/dbraw/zinc/94/85/19/573948519.db2.gz ZOPCHXUHFULEPX-UHFFFAOYSA-N 0 0 187.283 1.828 10 0 ADAERN CN1N=CC(=O)C1C1CCOCC1 257907714 573948521 /nfs/dbraw/zinc/94/85/21/573948521.db2.gz PXUHUYIDQZHLKC-UHFFFAOYSA-N 0 0 182.223 1.020 10 0 ADAERN CC1(C)[C@@H](CCO)C[C@@]1(C)O 238206105 573948553 /nfs/dbraw/zinc/94/85/53/573948553.db2.gz QUSNXIBIRPVHMK-IONNQARKSA-N 0 0 158.241 1.166 10 0 ADAERN Nc1cnncc1C(F)(F)F 257915473 573948556 /nfs/dbraw/zinc/94/85/56/573948556.db2.gz JJELSJLZXQGKTK-UHFFFAOYSA-N 0 0 163.102 1.078 10 0 ADAERN COCCCc1ncc(C(C)=O)o1 257914025 573948561 /nfs/dbraw/zinc/94/85/61/573948561.db2.gz CSQGJKOFLUUJSJ-UHFFFAOYSA-N 0 0 183.207 1.456 10 0 ADAERN Cn1ncc(N)c1[C@@H]1CCCCO1 257914174 573948575 /nfs/dbraw/zinc/94/85/75/573948575.db2.gz QRWVEAHGHCKGSJ-QMMMGPOBSA-N 0 0 181.239 1.244 10 0 ADAERN CCC(=O)N/C=C(/CC)N(C)C 238204551 573948579 /nfs/dbraw/zinc/94/85/79/573948579.db2.gz OUIVSVKQBOLMBT-FPLPWBNLSA-N 0 0 170.256 1.326 10 0 ADAERN Cc1nc(C2(C)CC2)nc(N)c1C 87553684 573948580 /nfs/dbraw/zinc/94/85/80/573948580.db2.gz NIERAQMTYWOYIX-UHFFFAOYSA-N 0 0 177.251 1.727 10 0 ADAERN CC(C)O[P@H](=O)O[C@H](C)O 238204825 573948605 /nfs/dbraw/zinc/94/86/05/573948605.db2.gz SUBUWEPKPNQFAM-RXMQYKEDSA-N 0 0 168.129 1.156 10 0 ADAERN CCCCNC1(C(=O)OC)CCC1 308471938 573948607 /nfs/dbraw/zinc/94/86/07/573948607.db2.gz KUSHILCYBJFBLF-UHFFFAOYSA-N 0 0 185.267 1.472 10 0 ADAERN CCC(=O)N(C)C[C@H]1C[C@H]1C 81559572 573950499 /nfs/dbraw/zinc/95/04/99/573950499.db2.gz YATBXRFRLKNQCM-HTQZYQBOSA-N 0 0 155.241 1.511 10 0 ADAERN Cn1ncc(N)c1[C@H]1CCCCO1 257914171 573948619 /nfs/dbraw/zinc/94/86/19/573948619.db2.gz QRWVEAHGHCKGSJ-MRVPVSSYSA-N 0 0 181.239 1.244 10 0 ADAERN CC1(c2ncc(CO)s2)CC1 87563518 573948640 /nfs/dbraw/zinc/94/86/40/573948640.db2.gz OEDXVOXYAUWBAZ-UHFFFAOYSA-N 0 0 169.249 1.687 10 0 ADAERN CCNc1nc(C2(C)CC2)no1 87553926 573948657 /nfs/dbraw/zinc/94/86/57/573948657.db2.gz WZMWRPJXFHQJKK-UHFFFAOYSA-N 0 0 167.212 1.553 10 0 ADAERN CN1c2ccc(F)cc2C[C@H]1CON 257913852 573948669 /nfs/dbraw/zinc/94/86/69/573948669.db2.gz BNPDNAPZSOUYDL-VIFPVBQESA-N 0 0 196.225 1.077 10 0 ADAERN COCC(=O)N1CC[C@H](C)C[C@H]1C 81565740 573948674 /nfs/dbraw/zinc/94/86/74/573948674.db2.gz FEFIPVYMOREJET-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN CC[C@H](C)c1nc(C)c(F)c(NN)n1 85006253 573948677 /nfs/dbraw/zinc/94/86/77/573948677.db2.gz JIKXGUAILBCZKB-YFKPBYRVSA-N 0 0 198.245 1.723 10 0 ADAERN CC1(C)CCC[C@H]([C@@H](C[NH3+])C(=O)[O-])C1 238215302 573948680 /nfs/dbraw/zinc/94/86/80/573948680.db2.gz IWVJFHRFHTXZSL-DTWKUNHWSA-N 0 0 199.294 1.862 10 0 ADAERN CC1(C)[C@@H](CCO)C[C@]1(C)O 238206166 573948687 /nfs/dbraw/zinc/94/86/87/573948687.db2.gz QUSNXIBIRPVHMK-CBAPKCEASA-N 0 0 158.241 1.166 10 0 ADAERN CC1(C)[C@@H](C(=O)[O-])C[C@@H]1CC[NH3+] 238205891 573948700 /nfs/dbraw/zinc/94/87/00/573948700.db2.gz PAGDHBGEIOFGCI-NKWVEPMBSA-N 0 0 171.240 1.082 10 0 ADAERN O[C@@H](c1cncs1)C1CC1 87572922 573948703 /nfs/dbraw/zinc/94/87/03/573948703.db2.gz XZKIVPQXRBXWLR-SSDOTTSWSA-N 0 0 155.222 1.587 10 0 ADAERN CC(C[C@@H]([NH3+])C(=O)[O-])=C(Cl)Cl 238204155 573948704 /nfs/dbraw/zinc/94/87/04/573948704.db2.gz WETFCPWELPPIDW-SCSAIBSYSA-N 0 0 198.049 1.498 10 0 ADAERN Cc1nc([C@@H]2CCCO2)nc(N)c1F 85005367 573948721 /nfs/dbraw/zinc/94/87/21/573948721.db2.gz VSLPHJINRGFZKX-LURJTMIESA-N 0 0 197.213 1.358 10 0 ADAERN C=CC1=C(C)CC(=O)O1 238204701 573948742 /nfs/dbraw/zinc/94/87/42/573948742.db2.gz UIEBFOQMCWZMLD-UHFFFAOYSA-N 0 0 124.139 1.393 10 0 ADAERN CCOCC(=O)c1cncs1 87572684 573948749 /nfs/dbraw/zinc/94/87/49/573948749.db2.gz RJCHWKQIDYHSFR-UHFFFAOYSA-N 0 0 171.221 1.362 10 0 ADAERN CC(C)O[C@H]1C[C@@H]2CCC(=O)[C@@H]21 238204545 573948755 /nfs/dbraw/zinc/94/87/55/573948755.db2.gz MIAXCVFZQQWIQH-UJNFCWOMSA-N 0 0 168.236 1.779 10 0 ADAERN Cc1nc(C2(C)CC2)nc(N)c1F 87553753 573948775 /nfs/dbraw/zinc/94/87/75/573948775.db2.gz NZPNAJOXIMICGJ-UHFFFAOYSA-N 0 0 181.214 1.558 10 0 ADAERN CCCCOCCN1CCC(=O)C1 45107810 573948786 /nfs/dbraw/zinc/94/87/86/573948786.db2.gz QRVRUQUMASDMKS-UHFFFAOYSA-N 0 0 185.267 1.078 10 0 ADAERN CC[C@@H](C)CNC(=O)C1CC1 81561312 573948835 /nfs/dbraw/zinc/94/88/35/573948835.db2.gz TWTPJZLXWFQOBI-SSDOTTSWSA-N 0 0 155.241 1.559 10 0 ADAERN Cc1[nH]c([C@]2(C)CCCO2)nc1O 235834878 573948855 /nfs/dbraw/zinc/94/88/55/573948855.db2.gz KOPOEOPIUGPEQE-VIFPVBQESA-N 0 0 182.223 1.449 10 0 ADAERN O[C@@H](c1cncs1)[C@H]1CCOC1 87573206 573950430 /nfs/dbraw/zinc/95/04/30/573950430.db2.gz KNTIFGQCFGRYHD-POYBYMJQSA-N 0 0 185.248 1.213 10 0 ADAERN C[C@@H](O)Cc1nc(C2(C)CC2)no1 87554133 573948865 /nfs/dbraw/zinc/94/88/65/573948865.db2.gz CAAQCTUMRAPOGB-ZCFIWIBFSA-N 0 0 182.223 1.044 10 0 ADAERN CC1(C)CC2=C(CCOC2=O)[C@H]1O 238205200 573948889 /nfs/dbraw/zinc/94/88/89/573948889.db2.gz DTBPDPCMUFFJBF-MRVPVSSYSA-N 0 0 182.219 1.021 10 0 ADAERN CC(C)OCc1ncc(N)n1C(C)C 257915029 573948903 /nfs/dbraw/zinc/94/89/03/573948903.db2.gz QLIIGKJLFWKORM-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN CC(C)O[P@]1(=O)CC[C@@H](CO)C1 238205561 573948918 /nfs/dbraw/zinc/94/89/18/573948918.db2.gz FZVRBUZNOJPNTF-QPUJVOFHSA-N 0 0 192.195 1.702 10 0 ADAERN Cc1[nH]c([C@@]2(C)CCCCO2)nc1O 235833834 573948919 /nfs/dbraw/zinc/94/89/19/573948919.db2.gz CTRSDEJDVOCXBZ-SNVBAGLBSA-N 0 0 196.250 1.839 10 0 ADAERN Cc1nn(C)c(C)c1OC(C)C 238206363 573948923 /nfs/dbraw/zinc/94/89/23/573948923.db2.gz PLXGYWOMEWNQCI-UHFFFAOYSA-N 0 0 168.240 1.824 10 0 ADAERN CC[C@H](C)CNC(=O)C1CC1 81561316 573948934 /nfs/dbraw/zinc/94/89/34/573948934.db2.gz TWTPJZLXWFQOBI-ZETCQYMHSA-N 0 0 155.241 1.559 10 0 ADAERN OC[C@]1(O)CCc2ccc(Cl)cc21 257914761 573948935 /nfs/dbraw/zinc/94/89/35/573948935.db2.gz XKBGQDVDLWWRQR-SNVBAGLBSA-N 0 0 198.649 1.466 10 0 ADAERN CCc1c(C)nc(C2(C)CC2)nc1N 87553669 573948944 /nfs/dbraw/zinc/94/89/44/573948944.db2.gz AXIVCOACPCWOLP-UHFFFAOYSA-N 0 0 191.278 1.981 10 0 ADAERN COC(=O)c1cccc(N(C)C#N)c1 259248389 573948947 /nfs/dbraw/zinc/94/89/47/573948947.db2.gz MFLKZPLGZVLJOO-UHFFFAOYSA-N 0 0 190.202 1.390 10 0 ADAERN Cc1nc(C(C)(C)C)nc(N)c1F 85005323 573948956 /nfs/dbraw/zinc/94/89/56/573948956.db2.gz GXVOVQBUWJAYMH-UHFFFAOYSA-N 0 0 183.230 1.804 10 0 ADAERN CC1(C)CC2=C(CCOC2=O)[C@@H]1O 238205183 573948957 /nfs/dbraw/zinc/94/89/57/573948957.db2.gz DTBPDPCMUFFJBF-QMMMGPOBSA-N 0 0 182.219 1.021 10 0 ADAERN C[C@H](O)C(F)(F)[C@@H]1CCCS1 257913909 573948960 /nfs/dbraw/zinc/94/89/60/573948960.db2.gz QPXKYXGFPROTFU-WDSKDSINSA-N 0 0 182.235 1.898 10 0 ADAERN COC(=O)c1c[nH]c(C2(C)CC2)n1 87553900 573948969 /nfs/dbraw/zinc/94/89/69/573948969.db2.gz BMMMLLQIIAKBOI-UHFFFAOYSA-N 0 0 180.207 1.248 10 0 ADAERN CC(C)[C@@]1(O)CCC[C@]1(C)O 238206345 573948984 /nfs/dbraw/zinc/94/89/84/573948984.db2.gz DTZZVCJIEAZYJH-IUCAKERBSA-N 0 0 158.241 1.308 10 0 ADAERN CC1(C)C[C@@H]1[NH2+]CCCC(=O)[O-] 45119462 573948990 /nfs/dbraw/zinc/94/89/90/573948990.db2.gz NGJHQLQAECNQKT-ZETCQYMHSA-N 0 0 171.240 1.239 10 0 ADAERN O=c1oc2ccc(CNO)cc2s1 258186954 573948994 /nfs/dbraw/zinc/94/89/94/573948994.db2.gz XAXOIQCPNWTPBQ-UHFFFAOYSA-N 0 0 197.215 1.333 10 0 ADAERN CC1(C)Oc2ccccc2[C@@H]1CO 238204502 573949019 /nfs/dbraw/zinc/94/90/19/573949019.db2.gz RNUSQAHCSNYTAF-VIFPVBQESA-N 0 0 178.231 1.934 10 0 ADAERN C[C@H](O)[C@@H](F)Cc1cccc(O)c1 257914027 573949022 /nfs/dbraw/zinc/94/90/22/573949022.db2.gz QRFQKYQPVPGRNQ-XVKPBYJWSA-N 0 0 184.210 1.654 10 0 ADAERN CC(C)[C@@H](/C=C/C(=O)[O-])[NH+](C)C 259249303 573949023 /nfs/dbraw/zinc/94/90/23/573949023.db2.gz BJUPWCRRWPUJGV-HQZHTGGTSA-N 0 0 171.240 1.213 10 0 ADAERN CNc1nc(C2CC2)nc(C)c1F 85005601 573949032 /nfs/dbraw/zinc/94/90/32/573949032.db2.gz CTSMLCDIUDYFNF-UHFFFAOYSA-N 0 0 181.214 1.843 10 0 ADAERN Cc1c(C2(O)CC2)ccc2c1OCO2 258187013 573949047 /nfs/dbraw/zinc/94/90/47/573949047.db2.gz XCDIXOWCIQYNBH-UHFFFAOYSA-N 0 0 192.214 1.705 10 0 ADAERN CCNc1nc(N(C)C)nc(C)c1F 85005655 573949064 /nfs/dbraw/zinc/94/90/64/573949064.db2.gz AENLBOQOADNWNE-UHFFFAOYSA-N 0 0 198.245 1.422 10 0 ADAERN CC(C)[C@@]1(O)CCC[C@@]1(C)O 238206321 573949070 /nfs/dbraw/zinc/94/90/70/573949070.db2.gz DTZZVCJIEAZYJH-BDAKNGLRSA-N 0 0 158.241 1.308 10 0 ADAERN CO[C@@H]1CCC[C@H]1NC(=O)C(C)(C)C 81561276 573949088 /nfs/dbraw/zinc/94/90/88/573949088.db2.gz WTMRULXHDQTUCS-RKDXNWHRSA-N 0 0 199.294 1.716 10 0 ADAERN CC1(C)CC2(CC2)CNC1=O 238204688 573949093 /nfs/dbraw/zinc/94/90/93/573949093.db2.gz SWBHVYPSJFZLPV-UHFFFAOYSA-N 0 0 153.225 1.313 10 0 ADAERN OCCc1ncc2ccc(F)cc2n1 257907723 573949097 /nfs/dbraw/zinc/94/90/97/573949097.db2.gz ZSKJWYCWSBGXEB-UHFFFAOYSA-N 0 0 192.193 1.304 10 0 ADAERN COc1c(C)cc(CNO)cc1O 258186832 573949100 /nfs/dbraw/zinc/94/91/00/573949100.db2.gz WZICCIWCYAZMRB-UHFFFAOYSA-N 0 0 183.207 1.188 10 0 ADAERN C[C@H](O)[C@@H](C)c1nc(C2(C)CC2)no1 87554165 573949103 /nfs/dbraw/zinc/94/91/03/573949103.db2.gz BZTXZWKVWAVTQO-RQJHMYQMSA-N 0 0 196.250 1.605 10 0 ADAERN OCc1coc(C2CCSCC2)n1 257914121 573949104 /nfs/dbraw/zinc/94/91/04/573949104.db2.gz CUGKIYROWVNDNN-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN C[C@H]1OCC[C@H]1CNc1cccnn1 235676302 573949109 /nfs/dbraw/zinc/94/91/09/573949109.db2.gz XEXJCVZBKYSDHR-BDAKNGLRSA-N 0 0 193.250 1.314 10 0 ADAERN CO[C@H]1CCC[C@H]1NC(=O)C(C)(C)C 81561269 573949115 /nfs/dbraw/zinc/94/91/15/573949115.db2.gz WTMRULXHDQTUCS-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN O[C@@H](c1ccco1)c1cncs1 87573186 573949140 /nfs/dbraw/zinc/94/91/40/573949140.db2.gz ABLNRJCOERYBLY-QMMMGPOBSA-N 0 0 181.216 1.818 10 0 ADAERN C[NH2+][C@H](c1ccncc1)[C@H](C)C(=O)[O-] 259248485 573949145 /nfs/dbraw/zinc/94/91/45/573949145.db2.gz HDJAFAHWFCLZGO-CBAPKCEASA-N 0 0 194.234 1.063 10 0 ADAERN C[C@H](O)Cc1nc(C2(C)CC2)no1 87554132 573949149 /nfs/dbraw/zinc/94/91/49/573949149.db2.gz CAAQCTUMRAPOGB-LURJTMIESA-N 0 0 182.223 1.044 10 0 ADAERN CC(=O)N[C@]1(C(C)C)CCSC1 238205980 573949150 /nfs/dbraw/zinc/94/91/50/573949150.db2.gz QWCNYQMZLMSLMK-SECBINFHSA-N 0 0 187.308 1.654 10 0 ADAERN CCc1cc(N)nc(C2(C)CC2)n1 87553675 573950440 /nfs/dbraw/zinc/95/04/40/573950440.db2.gz CJELXWORZQHCPP-UHFFFAOYSA-N 0 0 177.251 1.673 10 0 ADAERN CC1(C)CC2(CC2)C(=O)N1 238204633 573949174 /nfs/dbraw/zinc/94/91/74/573949174.db2.gz ORVBGZPXHHKHBL-UHFFFAOYSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@H](c1nc(C2(C)CC2)no1)[C@@H](C)O 87554164 573949234 /nfs/dbraw/zinc/94/92/34/573949234.db2.gz BZTXZWKVWAVTQO-NKWVEPMBSA-N 0 0 196.250 1.605 10 0 ADAERN Cc1ccc2c(c1CON)CCO2 257915472 573949247 /nfs/dbraw/zinc/94/92/47/573949247.db2.gz BKNSFGIIQQGUEP-UHFFFAOYSA-N 0 0 179.219 1.320 10 0 ADAERN O[C@@H](CC1CC1)c1cncs1 87573073 573949248 /nfs/dbraw/zinc/94/92/48/573949248.db2.gz PIZNGGFSBFWHEE-ZETCQYMHSA-N 0 0 169.249 1.977 10 0 ADAERN CC(C)O[P@]1(=O)CC[C@H](CO)C1 238205624 573949254 /nfs/dbraw/zinc/94/92/54/573949254.db2.gz FZVRBUZNOJPNTF-PRHODGIISA-N 0 0 192.195 1.702 10 0 ADAERN CNc1nc(C)c(C2CCOCC2)o1 259025340 573949258 /nfs/dbraw/zinc/94/92/58/573949258.db2.gz DGZGQYAGTMMVNL-UHFFFAOYSA-N 0 0 196.250 1.919 10 0 ADAERN O=C1CCCC2=CCC=C12 104056676 573949267 /nfs/dbraw/zinc/94/92/67/573949267.db2.gz CPMXKMREJAVDEJ-UHFFFAOYSA-N 0 0 133.170 1.925 10 0 ADAERN COC(OC)(OC)C1(C)CC1 87553614 573949276 /nfs/dbraw/zinc/94/92/76/573949276.db2.gz QACWSZLDGVTBTQ-UHFFFAOYSA-N 0 0 160.213 1.380 10 0 ADAERN Cc1nc(C2(C)CC2)ncc1[C@@H](C)O 87554027 573949285 /nfs/dbraw/zinc/94/92/85/573949285.db2.gz AJLBFVJSMDUVRR-MRVPVSSYSA-N 0 0 192.262 1.890 10 0 ADAERN CN1C[C@@H](C2CCCC2)OC(=O)N1 257913912 573949288 /nfs/dbraw/zinc/94/92/88/573949288.db2.gz QPXXCDBSDRHLTA-QMMMGPOBSA-N 0 0 184.239 1.132 10 0 ADAERN NCC(=O)c1cc2[nH]ccc2cc1F 82321742 573949289 /nfs/dbraw/zinc/94/92/89/573949289.db2.gz AZTSODFDKGSTJS-UHFFFAOYSA-N 0 0 192.193 1.448 10 0 ADAERN O[C@@H]1CC[C@H]2N=C(C3CCC3)O[C@H]2C1 257913662 573949301 /nfs/dbraw/zinc/94/93/01/573949301.db2.gz ILPGPUGVCFUHAB-BBBLOLIVSA-N 0 0 195.262 1.497 10 0 ADAERN CNc1nc(C2(C)CC2)no1 87553924 573949311 /nfs/dbraw/zinc/94/93/11/573949311.db2.gz XWUVCWYLBQMQHD-UHFFFAOYSA-N 0 0 153.185 1.163 10 0 ADAERN Cc1cc(C=O)nc(C2(C)CC2)n1 87553976 573949320 /nfs/dbraw/zinc/94/93/20/573949320.db2.gz RHLNHPASHGHNJQ-UHFFFAOYSA-N 0 0 176.219 1.649 10 0 ADAERN CN1C[C@H](C2CCCC2)OC(=O)N1 257913910 573949342 /nfs/dbraw/zinc/94/93/42/573949342.db2.gz QPXXCDBSDRHLTA-MRVPVSSYSA-N 0 0 184.239 1.132 10 0 ADAERN CCC(=O)N(C)C[C@H]1C[C@@H]1C 81559565 573949345 /nfs/dbraw/zinc/94/93/45/573949345.db2.gz YATBXRFRLKNQCM-JGVFFNPUSA-N 0 0 155.241 1.511 10 0 ADAERN CCCc1nc(C)c(F)c(NC)n1 85005560 573949354 /nfs/dbraw/zinc/94/93/54/573949354.db2.gz OBKNNOYSVMMCNW-UHFFFAOYSA-N 0 0 183.230 1.918 10 0 ADAERN CC(=O)[C@@H](N=O)Nc1ccccn1 238206213 573949359 /nfs/dbraw/zinc/94/93/59/573949359.db2.gz PZSJMLJGOREBFA-MRVPVSSYSA-N 0 0 179.179 1.175 10 0 ADAERN Cn1cc(C(=O)c2cncs2)cn1 87572833 573949361 /nfs/dbraw/zinc/94/93/61/573949361.db2.gz JQCNQHJFQMSNEO-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CCO[C@@H](C)c1nc(C)c(F)c(N)n1 85005504 573949364 /nfs/dbraw/zinc/94/93/64/573949364.db2.gz IJVODNQQPWNQQO-LURJTMIESA-N 0 0 199.229 1.604 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+][C@@H]1CC1(C)C 45119503 573949367 /nfs/dbraw/zinc/94/93/67/573949367.db2.gz MZRWJKBFWZLTHW-RNFRBKRXSA-N 0 0 171.240 1.238 10 0 ADAERN CC1(C)CC2(C[C@H]2CO)C1 238204885 573949377 /nfs/dbraw/zinc/94/93/77/573949377.db2.gz JKGVRLMZAQSCHC-ZETCQYMHSA-N 0 0 140.226 1.805 10 0 ADAERN COc1ccccc1[C@@H](CCO)OC 238401509 573949378 /nfs/dbraw/zinc/94/93/78/573949378.db2.gz YIWSLQRUTLPUBH-LLVKDONJSA-N 0 0 196.246 1.765 10 0 ADAERN OCc1cn2ccc3ccccc3c2n1 257914673 573949379 /nfs/dbraw/zinc/94/93/79/573949379.db2.gz XJEVSJPQHKDCFC-UHFFFAOYSA-N 0 0 198.225 1.980 10 0 ADAERN Cc1c(CO)ccc(F)c1N 258522858 573949384 /nfs/dbraw/zinc/94/93/84/573949384.db2.gz MMTAQJZMCDTZKU-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN CC(C)O[P@H](=O)O[C@@H](C)O 238204804 573949389 /nfs/dbraw/zinc/94/93/89/573949389.db2.gz SUBUWEPKPNQFAM-YFKPBYRVSA-N 0 0 168.129 1.156 10 0 ADAERN CCC(=O)c1cncs1 87572693 573949412 /nfs/dbraw/zinc/94/94/12/573949412.db2.gz YQTHHOKITGPQEI-UHFFFAOYSA-N 0 0 141.195 1.736 10 0 ADAERN Cc1cc(=O)[nH]c(-c2cncs2)n1 87572293 573949414 /nfs/dbraw/zinc/94/94/14/573949414.db2.gz FZGBKFMDZSOYJR-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC1(c2noc(C3CC(O)C3)n2)CC1 87554253 573949431 /nfs/dbraw/zinc/94/94/31/573949431.db2.gz IKWPQUZTIWNWOW-UHFFFAOYSA-N 0 0 194.234 1.359 10 0 ADAERN O[C@@H]1CC[C@@H]2N=C(C3CCC3)O[C@H]2C1 257913668 573949435 /nfs/dbraw/zinc/94/94/35/573949435.db2.gz ILPGPUGVCFUHAB-UTLUCORTSA-N 0 0 195.262 1.497 10 0 ADAERN CC(=O)Cc1nc(C2(C)CC2)no1 87554096 573949438 /nfs/dbraw/zinc/94/94/38/573949438.db2.gz HVSAJLNMKVISAV-UHFFFAOYSA-N 0 0 180.207 1.253 10 0 ADAERN CNOCc1ccc(Cl)cc1 257915639 573949441 /nfs/dbraw/zinc/94/94/41/573949441.db2.gz QTMXHTQZVCIEMQ-UHFFFAOYSA-N 0 0 171.627 1.991 10 0 ADAERN OCCn1cc(OC2CCCC2)cn1 257915516 573949462 /nfs/dbraw/zinc/94/94/62/573949462.db2.gz JJTZQGVBZNBTJZ-UHFFFAOYSA-N 0 0 196.250 1.197 10 0 ADAERN Nc1ccc2nc[nH]c(=S)c2c1 81593905 573949466 /nfs/dbraw/zinc/94/94/66/573949466.db2.gz XOTJUNQJEQUFPS-UHFFFAOYSA-N 0 0 177.232 1.501 10 0 ADAERN Cc1nc(C2(C)CC2)ncc1[C@H](C)O 87554028 573949470 /nfs/dbraw/zinc/94/94/70/573949470.db2.gz AJLBFVJSMDUVRR-QMMMGPOBSA-N 0 0 192.262 1.890 10 0 ADAERN O[C@@H](c1cncnc1)c1cncs1 87573183 573949474 /nfs/dbraw/zinc/94/94/74/573949474.db2.gz OCTZFEORBXPHQJ-QMMMGPOBSA-N 0 0 193.231 1.015 10 0 ADAERN C[N@H+](CC1(C(=O)[O-])CCC1)C(C)(C)C 259026645 573949480 /nfs/dbraw/zinc/94/94/80/573949480.db2.gz QDKVCPCRJGLENP-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN O=C1C=NNC1c1ccc(F)cc1 257913870 573949505 /nfs/dbraw/zinc/94/95/05/573949505.db2.gz QPNSOCRHCZEXOM-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN CCC(=O)N[C@@H]1CCC[C@@H]1OC 81559463 573949519 /nfs/dbraw/zinc/94/95/19/573949519.db2.gz CVRKRJSTIIMFBF-SFYZADRCSA-N 0 0 171.240 1.080 10 0 ADAERN CC1(C)Oc2ncccc2C[C@@H]1O 238204789 573949530 /nfs/dbraw/zinc/94/95/30/573949530.db2.gz JSKDNGULDFPLLY-QMMMGPOBSA-N 0 0 179.219 1.156 10 0 ADAERN O[C@H](c1cncs1)C1CC1 87572924 573949531 /nfs/dbraw/zinc/94/95/31/573949531.db2.gz XZKIVPQXRBXWLR-ZETCQYMHSA-N 0 0 155.222 1.587 10 0 ADAERN O=C(c1cnccn1)c1cncs1 87572740 573949535 /nfs/dbraw/zinc/94/95/35/573949535.db2.gz IUOWYAHLZMICIX-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN CC(C)S(=O)(=O)N1CCC[C@H]1C 81572280 573949550 /nfs/dbraw/zinc/94/95/50/573949550.db2.gz ZONBVOQCKIRMST-MRVPVSSYSA-N 0 0 191.296 1.209 10 0 ADAERN CCc1nc(C)c(F)c(N)n1 85005337 573949559 /nfs/dbraw/zinc/94/95/59/573949559.db2.gz JABSNXJWGIRVFQ-UHFFFAOYSA-N 0 0 155.176 1.069 10 0 ADAERN C[C@@H](O)C(F)(F)[C@@H]1CCCS1 257913907 573949562 /nfs/dbraw/zinc/94/95/62/573949562.db2.gz QPXKYXGFPROTFU-RITPCOANSA-N 0 0 182.235 1.898 10 0 ADAERN Cc1csc(CC(=O)C(C)(C)O)n1 235840154 573949581 /nfs/dbraw/zinc/94/95/81/573949581.db2.gz YOUSCNQIVPHGKS-UHFFFAOYSA-N 0 0 199.275 1.334 10 0 ADAERN CNc1nc(C2(C)CC2)ns1 87554278 573949585 /nfs/dbraw/zinc/94/95/85/573949585.db2.gz BENZRDGOLZWCOV-UHFFFAOYSA-N 0 0 169.253 1.631 10 0 ADAERN NC(=S)c1cccc(NC2CC2)n1 81598899 573950453 /nfs/dbraw/zinc/95/04/53/573950453.db2.gz KKQKMAZBAAUDIT-UHFFFAOYSA-N 0 0 193.275 1.290 10 0 ADAERN Cc1nc(C=O)nc2c1CSCC2 257907772 573949612 /nfs/dbraw/zinc/94/96/12/573949612.db2.gz ZTROLWQUCYQASL-UHFFFAOYSA-N 0 0 194.259 1.387 10 0 ADAERN CC(C)(C)C1=C(C(=O)[O-])CC[NH2+]C1 257914128 573949616 /nfs/dbraw/zinc/94/96/16/573949616.db2.gz QRRRTEZVJVTJBY-UHFFFAOYSA-N 0 0 183.251 1.407 10 0 ADAERN CC1=C[C@@H](C)C[C@H]1O 197854140 573949637 /nfs/dbraw/zinc/94/96/37/573949637.db2.gz WOTLBVYNLWFEJE-IYSWYEEDSA-N 0 0 112.172 1.333 10 0 ADAERN Cc1cc(CO)nc(C2(C)CC2)n1 87554026 573949644 /nfs/dbraw/zinc/94/96/44/573949644.db2.gz RXBGYPHUMIUNQI-UHFFFAOYSA-N 0 0 178.235 1.329 10 0 ADAERN NOCc1ccc2sncc2c1 257915453 573949649 /nfs/dbraw/zinc/94/96/49/573949649.db2.gz BJUJRKLSZGJPMH-UHFFFAOYSA-N 0 0 180.232 1.687 10 0 ADAERN O[C@@H](c1cnccn1)c1cncs1 87573710 573949659 /nfs/dbraw/zinc/94/96/59/573949659.db2.gz DQPDUSSNFBYUEE-QMMMGPOBSA-N 0 0 193.231 1.015 10 0 ADAERN N[C@H](c1ccoc1)c1cncs1 87574005 573949663 /nfs/dbraw/zinc/94/96/63/573949663.db2.gz RRNNDURSSNHCPO-MRVPVSSYSA-N 0 0 180.232 1.784 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C)nc(NN)c1F 85006037 573949682 /nfs/dbraw/zinc/94/96/82/573949682.db2.gz HAVVGNOPIWXKLM-UJURSFKZSA-N 0 0 196.229 1.333 10 0 ADAERN OCC1(CNc2cccs2)COC1 259026644 573949696 /nfs/dbraw/zinc/94/96/96/573949696.db2.gz QDJKGNBZOCYTOW-UHFFFAOYSA-N 0 0 199.275 1.169 10 0 ADAERN CCC[C@@H](CC)[NH2+]C/C=C/C(=O)[O-] 233286153 573949699 /nfs/dbraw/zinc/94/96/99/573949699.db2.gz XQUPDFBRLGQYNR-VPIOIWJLSA-N 0 0 185.267 1.796 10 0 ADAERN C[C@H](O)[C@H](C)c1nc(C2(C)CC2)no1 87554166 573949702 /nfs/dbraw/zinc/94/97/02/573949702.db2.gz BZTXZWKVWAVTQO-BQBZGAKWSA-N 0 0 196.250 1.605 10 0 ADAERN CNOCCc1ccccc1C 258522895 573949710 /nfs/dbraw/zinc/94/97/10/573949710.db2.gz MOFBFQYWAJQNJM-UHFFFAOYSA-N 0 0 165.236 1.689 10 0 ADAERN CC[C@@H](C[N@H+](C)C(C)(C)C)C(=O)[O-] 259026590 573949727 /nfs/dbraw/zinc/94/97/27/573949727.db2.gz QBUPVLGJNRYZIH-QMMMGPOBSA-N 0 0 187.283 1.828 10 0 ADAERN Cc1nc([C@H]2CCOC2)nc(N)c1F 85005333 573949742 /nfs/dbraw/zinc/94/97/42/573949742.db2.gz VQADHWAJTKBJHB-LURJTMIESA-N 0 0 197.213 1.010 10 0 ADAERN CCc1cc(CNO)cc(OC)c1 257915446 573949743 /nfs/dbraw/zinc/94/97/43/573949743.db2.gz BJDODZFKMPXEJB-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN CC(C)c1[n-]n(C(C)C)c(=O)c1C[NH3+] 257915373 573949751 /nfs/dbraw/zinc/94/97/51/573949751.db2.gz JIMLXYRFFPFWCI-UHFFFAOYSA-N 0 0 197.282 1.752 10 0 ADAERN CCOCc1nc(C)c(F)c(NC)n1 85005639 573949769 /nfs/dbraw/zinc/94/97/69/573949769.db2.gz KZVLMCPZNWRWRF-UHFFFAOYSA-N 0 0 199.229 1.502 10 0 ADAERN CCCOCCCNC(=O)NCC 127673626 573950462 /nfs/dbraw/zinc/95/04/62/573950462.db2.gz MWAQHIQBSGZFJD-UHFFFAOYSA-N 0 0 188.271 1.122 10 0 ADAERN Cc1[nH]c([C@]2(C)CCCCO2)nc1O 235834855 573949784 /nfs/dbraw/zinc/94/97/84/573949784.db2.gz CTRSDEJDVOCXBZ-JTQLQIEISA-N 0 0 196.250 1.839 10 0 ADAERN CC1(c2nc(C=O)c[nH]2)CC1 87554266 573949792 /nfs/dbraw/zinc/94/97/92/573949792.db2.gz IMYQOBZZFYMIGH-UHFFFAOYSA-N 0 0 150.181 1.274 10 0 ADAERN CCCC1C(=O)C=NN1C 258522891 573949801 /nfs/dbraw/zinc/94/98/01/573949801.db2.gz MOAATROXYCZGRZ-UHFFFAOYSA-N 0 0 140.186 1.078 10 0 ADAERN CCOC(=O)N1CCSC[C@H]1C 81560079 573949805 /nfs/dbraw/zinc/94/98/05/573949805.db2.gz PTJMLAVSMZOKIG-SSDOTTSWSA-N 0 0 189.280 1.580 10 0 ADAERN O[C@H](c1cncs1)C1CCOCC1 87573383 573949816 /nfs/dbraw/zinc/94/98/16/573949816.db2.gz JXBVXPTWWVGEBP-VIFPVBQESA-N 0 0 199.275 1.603 10 0 ADAERN CCCc1nc(N)nc(C2(C)CC2)n1 87554261 573949818 /nfs/dbraw/zinc/94/98/18/573949818.db2.gz VXYHVBQOEYCIER-UHFFFAOYSA-N 0 0 192.266 1.458 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C)nc(N)c1F 85005472 573949837 /nfs/dbraw/zinc/94/98/37/573949837.db2.gz JBNDYARHESESNP-UJURSFKZSA-N 0 0 181.214 1.630 10 0 ADAERN CCn1c(C)cc(C(=O)CN)c1C 87567896 573949839 /nfs/dbraw/zinc/94/98/39/573949839.db2.gz ZKUGUXIMECCLDY-UHFFFAOYSA-N 0 0 180.251 1.266 10 0 ADAERN Cn1ncc2ccc(C3(O)CC3)cc21 258186882 573949840 /nfs/dbraw/zinc/94/98/40/573949840.db2.gz WZSUYEDOCBIOGP-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN COCC(=O)N1CC[C@H](C)C[C@@H]1C 81565746 573949846 /nfs/dbraw/zinc/94/98/46/573949846.db2.gz FEFIPVYMOREJET-IUCAKERBSA-N 0 0 185.267 1.280 10 0 ADAERN Cc1cc(C(=O)OC(C)C)no1 87555430 573949860 /nfs/dbraw/zinc/94/98/60/573949860.db2.gz DHEHDOHLNJWLKE-UHFFFAOYSA-N 0 0 169.180 1.548 10 0 ADAERN C[N@@H+]1CCC2(CCCCC2)[C@H]1C(=O)[O-] 257907689 573950465 /nfs/dbraw/zinc/95/04/65/573950465.db2.gz ZRXCLFPCFWQWBE-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN C[C@H](O)C(F)(F)[C@H]1CCCS1 257913903 573949871 /nfs/dbraw/zinc/94/98/71/573949871.db2.gz QPXKYXGFPROTFU-NTSWFWBYSA-N 0 0 182.235 1.898 10 0 ADAERN CCC(=O)N[C@H]1CCC[C@H]1OC 81559476 573949874 /nfs/dbraw/zinc/94/98/74/573949874.db2.gz CVRKRJSTIIMFBF-JGVFFNPUSA-N 0 0 171.240 1.080 10 0 ADAERN Cn1[nH]c(=O)c2cc(C=O)ccc21 257913936 573949877 /nfs/dbraw/zinc/94/98/77/573949877.db2.gz QQHSMUHCBQHOEV-UHFFFAOYSA-N 0 0 176.175 1.091 10 0 ADAERN Cc1cc(C(=O)c2cnccn2)ccn1 235834887 573949893 /nfs/dbraw/zinc/94/98/93/573949893.db2.gz PLTREEPZCOZXNA-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN Cc1nc(C2(C)CC2)nc(NN)c1F 87553894 573949903 /nfs/dbraw/zinc/94/99/03/573949903.db2.gz JYQPTMVLEIPUAB-UHFFFAOYSA-N 0 0 196.229 1.261 10 0 ADAERN O[C@H](c1cncnc1)c1cncs1 87573185 573949915 /nfs/dbraw/zinc/94/99/15/573949915.db2.gz OCTZFEORBXPHQJ-MRVPVSSYSA-N 0 0 193.231 1.015 10 0 ADAERN OCc1noc2c1CCC2(F)F 257913878 573949918 /nfs/dbraw/zinc/94/99/18/573949918.db2.gz QPRWVHRAECMYDE-UHFFFAOYSA-N 0 0 175.134 1.205 10 0 ADAERN O[C@H](c1cnccn1)c1cncs1 87573712 573949921 /nfs/dbraw/zinc/94/99/21/573949921.db2.gz DQPDUSSNFBYUEE-MRVPVSSYSA-N 0 0 193.231 1.015 10 0 ADAERN CCCNc1nc(C2(C)CC2)no1 87553928 573950068 /nfs/dbraw/zinc/95/00/68/573950068.db2.gz GXIPCIHYFYDCLQ-UHFFFAOYSA-N 0 0 181.239 1.943 10 0 ADAERN O[C@@H](c1ccoc1)c1cncs1 87573270 573949933 /nfs/dbraw/zinc/94/99/33/573949933.db2.gz FABSLDIQYYADJG-QMMMGPOBSA-N 0 0 181.216 1.818 10 0 ADAERN O[C@@H](c1cncs1)[C@@H]1CCOC1 87573202 573949937 /nfs/dbraw/zinc/94/99/37/573949937.db2.gz KNTIFGQCFGRYHD-HTRCEHHLSA-N 0 0 185.248 1.213 10 0 ADAERN CCC[C@H](O)c1cncs1 87573366 573949942 /nfs/dbraw/zinc/94/99/42/573949942.db2.gz BXHFXNLMDSCGBK-LURJTMIESA-N 0 0 157.238 1.977 10 0 ADAERN C/C=C/C(=O)N1C[C@@H](C)OC[C@H]1CC 87555453 573949970 /nfs/dbraw/zinc/94/99/70/573949970.db2.gz MEBQOSKKBSBQRW-NEPGKVPFSA-N 0 0 197.278 1.588 10 0 ADAERN O=C(c1cncs1)[C@H]1CCOC1 87572499 573949975 /nfs/dbraw/zinc/94/99/75/573949975.db2.gz WDHOMXPRGXCEBW-LURJTMIESA-N 0 0 183.232 1.362 10 0 ADAERN CCNC(=O)O[C@@H](C)CC 104082847 573949977 /nfs/dbraw/zinc/94/99/77/573949977.db2.gz FFJMYTIYRQPZAQ-LURJTMIESA-N 0 0 145.202 1.531 10 0 ADAERN CC(=O)[C@@H](C)c1nc(C2(C)CC2)no1 87554110 573949981 /nfs/dbraw/zinc/94/99/81/573949981.db2.gz WPEQLOYMJANMIV-ZCFIWIBFSA-N 0 0 194.234 1.814 10 0 ADAERN CC(C)Nc1c(N)c(C(C)C)nn1C 85021853 573950473 /nfs/dbraw/zinc/95/04/73/573950473.db2.gz GGTYGRCUURNKBK-UHFFFAOYSA-N 0 0 196.298 1.946 10 0 ADAERN COC(=N)C1(C)CC1 87553420 573950021 /nfs/dbraw/zinc/95/00/21/573950021.db2.gz VAGQJLSQYANPJC-UHFFFAOYSA-N 0 0 113.160 1.410 10 0 ADAERN NC1(c2nc(C3CCC3)co2)CC1 257915637 573950022 /nfs/dbraw/zinc/95/00/22/573950022.db2.gz QTGXWYVCQPHJJD-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN C[C@@H](O)c1nc(C2(C)CC2)no1 87554129 573950032 /nfs/dbraw/zinc/95/00/32/573950032.db2.gz PBYNXHHPQFNRNY-RXMQYKEDSA-N 0 0 168.196 1.174 10 0 ADAERN CC[C@]1(C)CC(=O)N(CCC(C)=O)O1 257914711 573950046 /nfs/dbraw/zinc/95/00/46/573950046.db2.gz XJNWDAUOOSPCEF-SNVBAGLBSA-N 0 0 199.250 1.298 10 0 ADAERN Nc1c(C2CCC2)cn[nH]c1=O 257915135 573950051 /nfs/dbraw/zinc/95/00/51/573950051.db2.gz JGLDGLAVFHZFCN-UHFFFAOYSA-N 0 0 165.196 1.032 10 0 ADAERN CC1(c2noc(NC3CC3)n2)CC1 87553932 573950059 /nfs/dbraw/zinc/95/00/59/573950059.db2.gz VHCIRMOILMFDGG-UHFFFAOYSA-N 0 0 179.223 1.695 10 0 ADAERN CC1(c2nc(Cl)n[nH]2)CC1 87554268 573950087 /nfs/dbraw/zinc/95/00/87/573950087.db2.gz BGQRBJFGJHZNHP-UHFFFAOYSA-N 0 0 157.604 1.510 10 0 ADAERN CC(=O)N1CC[C@H](C)C[C@H]1C 81558994 573950101 /nfs/dbraw/zinc/95/01/01/573950101.db2.gz GRMSOWHOCAIBAI-JGVFFNPUSA-N 0 0 155.241 1.653 10 0 ADAERN CC(C)ONC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 716485560 573950477 /nfs/dbraw/zinc/95/04/77/573950477.db2.gz NZKJSXPSDYTZNQ-UTINFBMNSA-N 0 0 197.278 1.735 10 0 ADAERN CC1(c2nc(N)c3c(n2)CCC3)CC1 87553665 573950121 /nfs/dbraw/zinc/95/01/21/573950121.db2.gz VFFYOZVGLMCWGB-UHFFFAOYSA-N 0 0 189.262 1.599 10 0 ADAERN Cc1c(N)cnc2c3c(nn12)CCC3 257907765 573950127 /nfs/dbraw/zinc/95/01/27/573950127.db2.gz ZTGDBSXPPUKZMX-UHFFFAOYSA-N 0 0 188.234 1.109 10 0 ADAERN C[NH+]1CCC(/C=C(\F)C(=O)[O-])CC1 257907696 573950150 /nfs/dbraw/zinc/95/01/50/573950150.db2.gz PXPNTEHZOZDOOX-VURMDHGXSA-N 0 0 187.214 1.266 10 0 ADAERN C[NH2+][C@@H](c1ccncc1)[C@H](C)C(=O)[O-] 259248487 573950164 /nfs/dbraw/zinc/95/01/64/573950164.db2.gz HDJAFAHWFCLZGO-IONNQARKSA-N 0 0 194.234 1.063 10 0 ADAERN CCNC(=O)O[C@H](C)CC 104082842 573950169 /nfs/dbraw/zinc/95/01/69/573950169.db2.gz FFJMYTIYRQPZAQ-ZCFIWIBFSA-N 0 0 145.202 1.531 10 0 ADAERN O=C1OC2(CCCC2)CN1CCCO 257907844 573950170 /nfs/dbraw/zinc/95/01/70/573950170.db2.gz WQWHITGCADWWQY-UHFFFAOYSA-N 0 0 199.250 1.134 10 0 ADAERN CC(C)Nc1cccc(C(N)=S)n1 81600270 573950172 /nfs/dbraw/zinc/95/01/72/573950172.db2.gz KIIGTPZCCNKEEL-UHFFFAOYSA-N 0 0 195.291 1.536 10 0 ADAERN CCC[C@@H](CC)[C@@H]1CC(=O)NC1=O 233285675 573950482 /nfs/dbraw/zinc/95/04/82/573950482.db2.gz RDVXINWGADPYFJ-SFYZADRCSA-N 0 0 183.251 1.475 10 0 ADAERN CC(C)Nc1nc(C2(C)CC2)no1 87553930 573950196 /nfs/dbraw/zinc/95/01/96/573950196.db2.gz VZHLAUWFKNVVJM-UHFFFAOYSA-N 0 0 181.239 1.941 10 0 ADAERN CCC(O)(CC)[C@@H](C)C(C)=O 238206789 573950201 /nfs/dbraw/zinc/95/02/01/573950201.db2.gz KWQIIFYHLCUFAJ-ZETCQYMHSA-N 0 0 158.241 1.763 10 0 ADAERN O[C@H](c1ccco1)c1cncs1 87573188 573950221 /nfs/dbraw/zinc/95/02/21/573950221.db2.gz ABLNRJCOERYBLY-MRVPVSSYSA-N 0 0 181.216 1.818 10 0 ADAERN CC(C)[P@@H](=O)OC[C@@H](C)O 238215390 573950240 /nfs/dbraw/zinc/95/02/40/573950240.db2.gz KYLPYNLCWPJZLL-ZCFIWIBFSA-N 0 0 166.157 1.267 10 0 ADAERN CC1(c2ncc(CO)cn2)CC1 87554025 573950253 /nfs/dbraw/zinc/95/02/53/573950253.db2.gz AELHFPRGVIMJPA-UHFFFAOYSA-N 0 0 164.208 1.020 10 0 ADAERN OCCc1cccc2cnncc12 257915495 573950271 /nfs/dbraw/zinc/95/02/71/573950271.db2.gz BLFPESWRMYWDIM-UHFFFAOYSA-N 0 0 174.203 1.165 10 0 ADAERN CC1(c2ncc(C=O)cn2)CC1 87553979 573950284 /nfs/dbraw/zinc/95/02/84/573950284.db2.gz MGFXWANVZRYYBC-UHFFFAOYSA-N 0 0 162.192 1.341 10 0 ADAERN C[NH2+][C@@H](c1ccncc1)[C@@H](C)C(=O)[O-] 259248490 573950293 /nfs/dbraw/zinc/95/02/93/573950293.db2.gz HDJAFAHWFCLZGO-VXNVDRBHSA-N 0 0 194.234 1.063 10 0 ADAERN O[C@@H]1CC[C@H]2N=C(C3CCC3)O[C@@H]2C1 257913666 573950300 /nfs/dbraw/zinc/95/03/00/573950300.db2.gz ILPGPUGVCFUHAB-OPRDCNLKSA-N 0 0 195.262 1.497 10 0 ADAERN CC[C@@H](CO)CNc1cccnc1 259026641 573950303 /nfs/dbraw/zinc/95/03/03/573950303.db2.gz QDHQZGMKDCJSNE-SECBINFHSA-N 0 0 180.251 1.512 10 0 ADAERN C=Cc1nc(-c2cncs2)no1 87571998 573950316 /nfs/dbraw/zinc/95/03/16/573950316.db2.gz UBAUEEOCGRDGDS-UHFFFAOYSA-N 0 0 179.204 1.836 10 0 ADAERN CC(=O)N1CC[C@H](C)C[C@@H]1C 81559002 573950319 /nfs/dbraw/zinc/95/03/19/573950319.db2.gz GRMSOWHOCAIBAI-YUMQZZPRSA-N 0 0 155.241 1.653 10 0 ADAERN Cc1nn(C)cc1-c1ccc(N)cc1 85017691 573950337 /nfs/dbraw/zinc/95/03/37/573950337.db2.gz ZUMDPIIQCUOSDF-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ccnc1C(=O)c1cncs1 87572436 573950347 /nfs/dbraw/zinc/95/03/47/573950347.db2.gz DQMUGDRWQFJDDY-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CO[C@@H]1CCC[C@@H]1NC(=O)C1CC1 81561237 573950350 /nfs/dbraw/zinc/95/03/50/573950350.db2.gz WVLJWHPLVDJQLY-DTWKUNHWSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)NC(=O)C=C=C(Cl)Cl 238206415 573950364 /nfs/dbraw/zinc/95/03/64/573950364.db2.gz VRDOFJVBKKRXBC-UHFFFAOYSA-N 0 0 194.061 1.985 10 0 ADAERN OC[C@@]1(O)CCc2ccc(Cl)cc21 257914760 573950375 /nfs/dbraw/zinc/95/03/75/573950375.db2.gz XKBGQDVDLWWRQR-JTQLQIEISA-N 0 0 198.649 1.466 10 0 ADAERN Cc1cc(F)cc(C[C@@H](C)O)c1O 258186893 573950392 /nfs/dbraw/zinc/95/03/92/573950392.db2.gz WZYCNXUGSVBEEN-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN C[C@H](O)[C@H](F)Cc1cccc(O)c1 257914022 573950393 /nfs/dbraw/zinc/95/03/93/573950393.db2.gz QRFQKYQPVPGRNQ-OIBJUYFYSA-N 0 0 184.210 1.654 10 0 ADAERN CCC(=O)NC(=O)Nc1ccccn1 238208231 573950508 /nfs/dbraw/zinc/95/05/08/573950508.db2.gz QYHPAPWJYDOMNX-UHFFFAOYSA-N 0 0 193.206 1.140 10 0 ADAERN CC1(c2nccc(C=O)n2)CC1 87553974 573950812 /nfs/dbraw/zinc/95/08/12/573950812.db2.gz VTQKFGIHXXPPRR-UHFFFAOYSA-N 0 0 162.192 1.341 10 0 ADAERN CC1(c2nc(N)nc(C3CC3)n2)CC1 87554263 573950538 /nfs/dbraw/zinc/95/05/38/573950538.db2.gz OLLIBNUDWFHSKF-UHFFFAOYSA-N 0 0 190.250 1.383 10 0 ADAERN CC(=O)N(C)C[C@H]1C[C@H]1C 81559100 573950541 /nfs/dbraw/zinc/95/05/41/573950541.db2.gz XOTZDTKDCFYZMA-HTRCEHHLSA-N 0 0 141.214 1.121 10 0 ADAERN CCc1nc(C2(C)CC2)nc(N)c1C 87553747 573950591 /nfs/dbraw/zinc/95/05/91/573950591.db2.gz XQRRHRBGHIPJRR-UHFFFAOYSA-N 0 0 191.278 1.981 10 0 ADAERN CO[C@H]1CCC[C@@H]1NC(=O)C1CC1 81561242 573950602 /nfs/dbraw/zinc/95/06/02/573950602.db2.gz WVLJWHPLVDJQLY-IUCAKERBSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)NS(=O)(=O)C(C)(C)C 81567963 573950624 /nfs/dbraw/zinc/95/06/24/573950624.db2.gz MPOLLAPQZUZKOU-UHFFFAOYSA-N 0 0 179.285 1.113 10 0 ADAERN CCOC[C@@H](O)c1cncs1 87573340 573950642 /nfs/dbraw/zinc/95/06/42/573950642.db2.gz TVOLRTWRXFKMPY-ZCFIWIBFSA-N 0 0 173.237 1.213 10 0 ADAERN COCC(=O)N1CC[C@@H](C)C[C@@H]1C 81565743 573950650 /nfs/dbraw/zinc/95/06/50/573950650.db2.gz FEFIPVYMOREJET-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN Cc1cc(F)cc(C[C@H](C)O)c1O 258186896 573950656 /nfs/dbraw/zinc/95/06/56/573950656.db2.gz WZYCNXUGSVBEEN-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN CC(C)ONC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 716485542 573950681 /nfs/dbraw/zinc/95/06/81/573950681.db2.gz NZKJSXPSDYTZNQ-AXTSPUMRSA-N 0 0 197.278 1.735 10 0 ADAERN O[C@H](c1ccoc1)c1cncs1 87573273 573950683 /nfs/dbraw/zinc/95/06/83/573950683.db2.gz FABSLDIQYYADJG-MRVPVSSYSA-N 0 0 181.216 1.818 10 0 ADAERN C[C@@H](O)[C@@H](C)c1nc(C2(C)CC2)no1 87554163 573950688 /nfs/dbraw/zinc/95/06/88/573950688.db2.gz BZTXZWKVWAVTQO-RNFRBKRXSA-N 0 0 196.250 1.605 10 0 ADAERN CCCNc1c(N)c(C)nn1CC 85022279 573950689 /nfs/dbraw/zinc/95/06/89/573950689.db2.gz BEYPCJVXGXALQJ-UHFFFAOYSA-N 0 0 182.271 1.616 10 0 ADAERN C/C(=C/C[NH2+][C@@H]1C[C@@H]1C1CC1)C(=O)[O-] 716491237 573950691 /nfs/dbraw/zinc/95/06/91/573950691.db2.gz PIWWPNIHQGRSBV-UFUMDNBCSA-N 0 0 195.262 1.405 10 0 ADAERN N[C@@H](c1ccoc1)c1cncs1 87574004 573950694 /nfs/dbraw/zinc/95/06/94/573950694.db2.gz RRNNDURSSNHCPO-QMMMGPOBSA-N 0 0 180.232 1.784 10 0 ADAERN O[C@H](CC1CC1)c1cncs1 87573071 573950714 /nfs/dbraw/zinc/95/07/14/573950714.db2.gz PIZNGGFSBFWHEE-SSDOTTSWSA-N 0 0 169.249 1.977 10 0 ADAERN C[NH2+][C@H](c1ccncc1)[C@@H](C)C(=O)[O-] 259248482 573950743 /nfs/dbraw/zinc/95/07/43/573950743.db2.gz HDJAFAHWFCLZGO-APPZFPTMSA-N 0 0 194.234 1.063 10 0 ADAERN CCc1nn(C)c(N[C@H](C)CC)c1N 85020663 573950745 /nfs/dbraw/zinc/95/07/45/573950745.db2.gz BLKQHLKEUBRQST-SSDOTTSWSA-N 0 0 196.298 1.775 10 0 ADAERN C[C@H](Cn1cccc1C(=O)[O-])[NH+](C)C 45109260 573950751 /nfs/dbraw/zinc/95/07/51/573950751.db2.gz WISRVSLSNLCAPN-MRVPVSSYSA-N 0 0 196.250 1.136 10 0 ADAERN O=C(c1cncs1)[C@@H]1CCOC1 87572497 573950754 /nfs/dbraw/zinc/95/07/54/573950754.db2.gz WDHOMXPRGXCEBW-ZCFIWIBFSA-N 0 0 183.232 1.362 10 0 ADAERN Cc1onc2ccc(O)cc12 257909597 573950764 /nfs/dbraw/zinc/95/07/64/573950764.db2.gz AFXCIOXYQJOQHT-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN CCCN(C)c1ccnc(=S)[nH]1 238215392 573950782 /nfs/dbraw/zinc/95/07/82/573950782.db2.gz QYQGQEXJITYPKA-UHFFFAOYSA-N 0 0 183.280 1.985 10 0 ADAERN Cc1cc(Cl)n(-c2ncccn2)n1 85018975 573950793 /nfs/dbraw/zinc/95/07/93/573950793.db2.gz APKMNMDEOORPCA-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cn1nc2c(c1Cl)CCC2 85018525 573950810 /nfs/dbraw/zinc/95/08/10/573950810.db2.gz UJWVHWVKEVMFQE-UHFFFAOYSA-N 0 0 156.616 1.562 10 0 ADAERN CCNc1c(N)c(C(C)C)nn1C 85021874 573950887 /nfs/dbraw/zinc/95/08/87/573950887.db2.gz JCARZHLVOVLIPW-UHFFFAOYSA-N 0 0 182.271 1.558 10 0 ADAERN CC(F)(F)c1ccc(O)cn1 238207830 573950819 /nfs/dbraw/zinc/95/08/19/573950819.db2.gz DKGLETYOBMGETE-UHFFFAOYSA-N 0 0 159.135 1.899 10 0 ADAERN CCc1n[nH]c2ccc(O)cc12 257909862 573950845 /nfs/dbraw/zinc/95/08/45/573950845.db2.gz AJAOPKSSBGEQRK-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN O[C@H](c1cccnc1)c1cncs1 87573360 573950853 /nfs/dbraw/zinc/95/08/53/573950853.db2.gz RMWLIZSOUHDUKB-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN CC1(C)C[C@H](CC(=O)[O-])C[N@@H+]1C1CC1 259249374 573950857 /nfs/dbraw/zinc/95/08/57/573950857.db2.gz FEDHHPYDQXAYPV-QMMMGPOBSA-N 0 0 197.278 1.724 10 0 ADAERN CCC(=O)N[C@H]1CCC[C@@H]1OC 81559469 573950866 /nfs/dbraw/zinc/95/08/66/573950866.db2.gz CVRKRJSTIIMFBF-YUMQZZPRSA-N 0 0 171.240 1.080 10 0 ADAERN CO[C@H]1CCC[C@H]1NC(=O)C(C)C 81561255 573950872 /nfs/dbraw/zinc/95/08/72/573950872.db2.gz LMYALNLJYJNCQK-BDAKNGLRSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)c1nc(N)nc(C2(C)CC2)n1 87554262 573950900 /nfs/dbraw/zinc/95/09/00/573950900.db2.gz FTICLJPNYGXEKS-UHFFFAOYSA-N 0 0 192.266 1.629 10 0 ADAERN CC1(C)[C@@H](CO)[C@@]1(F)Cl 238207025 573950905 /nfs/dbraw/zinc/95/09/05/573950905.db2.gz VDJOWOJCILIYLX-XINAWCOVSA-N 0 0 152.596 1.539 10 0 ADAERN CC(=O)[C@H](C)c1nc(C2(C)CC2)no1 87554111 573950906 /nfs/dbraw/zinc/95/09/06/573950906.db2.gz WPEQLOYMJANMIV-LURJTMIESA-N 0 0 194.234 1.814 10 0 ADAERN CC(C)[C@]1(C(=O)[O-])C[C@]1(C)C[NH3+] 238207631 573950917 /nfs/dbraw/zinc/95/09/17/573950917.db2.gz CSYKZORRTRFRQV-BDAKNGLRSA-N 0 0 171.240 1.082 10 0 ADAERN COC(=O)C1(Cc2ccc[nH]2)CCC1 259026179 573950926 /nfs/dbraw/zinc/95/09/26/573950926.db2.gz AZKUGYLGRAISAR-UHFFFAOYSA-N 0 0 193.246 1.901 10 0 ADAERN COc1cccc(N(C)C(C)=O)c1 81559151 573950934 /nfs/dbraw/zinc/95/09/34/573950934.db2.gz ZWDMLQALYVVXTM-UHFFFAOYSA-N 0 0 179.219 1.678 10 0 ADAERN CC(=C=CCO)C(C)C 238207927 573950935 /nfs/dbraw/zinc/95/09/35/573950935.db2.gz ADLCGRWRPRCEER-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN CCCC1(C(=O)N(C)[C@@H](C)CO)CC1 393654753 573950943 /nfs/dbraw/zinc/95/09/43/573950943.db2.gz GEEWCIDSWKEQBU-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN CCc1c(Cl)n[nH]c1C 85018733 573950953 /nfs/dbraw/zinc/95/09/53/573950953.db2.gz IDTNEAHSDINDBW-UHFFFAOYSA-N 0 0 144.605 1.934 10 0 ADAERN OC[C@H]1CC[C@H]1c1ccccc1O 257910181 573950955 /nfs/dbraw/zinc/95/09/55/573950955.db2.gz QENPBSGBCQRTFO-RKDXNWHRSA-N 0 0 178.231 1.878 10 0 ADAERN C[C@@H]1Cc2ccccc2[C@@H](C(=O)[O-])[NH2+]1 85017469 573950961 /nfs/dbraw/zinc/95/09/61/573950961.db2.gz FKDVPCJCOHIVCL-XCBNKYQSSA-N 0 0 191.230 1.347 10 0 ADAERN OCc1cnc(-c2cncs2)s1 87575497 573952894 /nfs/dbraw/zinc/95/28/94/573952894.db2.gz PEPLGHLBBFOJAT-UHFFFAOYSA-N 0 0 198.272 1.759 10 0 ADAERN CC(C)[P@@H](=O)OC[C@H](C)O 238215416 573952880 /nfs/dbraw/zinc/95/28/80/573952880.db2.gz KYLPYNLCWPJZLL-LURJTMIESA-N 0 0 166.157 1.267 10 0 ADAERN Cc1c(C=O)nnn1C1CCC1 257909820 573952891 /nfs/dbraw/zinc/95/28/91/573952891.db2.gz AIAFTSKBGIQNQL-UHFFFAOYSA-N 0 0 165.196 1.124 10 0 ADAERN CCCCNc1c(C)nc(C)nc1N 238207744 573953086 /nfs/dbraw/zinc/95/30/86/573953086.db2.gz YVAXHXICZHNAIW-UHFFFAOYSA-N 0 0 194.282 1.888 10 0 ADAERN O=C1N[C@@H]([C@@H]2CCCCS2)CO1 258187580 573953088 /nfs/dbraw/zinc/95/30/88/573953088.db2.gz FJSKKVPIOLPIHS-RQJHMYQMSA-N 0 0 187.264 1.381 10 0 ADAERN CC1(C)[C@@H](CO)[C@]1(F)Cl 238207130 573953096 /nfs/dbraw/zinc/95/30/96/573953096.db2.gz VDJOWOJCILIYLX-INEUFUBQSA-N 0 0 152.596 1.539 10 0 ADAERN CCCSc1cc(N)n[nH]1 87584354 573953103 /nfs/dbraw/zinc/95/31/03/573953103.db2.gz VZBVFEQDZVJJES-UHFFFAOYSA-N 0 0 157.242 1.494 10 0 ADAERN COc1c(C)cc(C2(O)CC2)cc1O 258186919 573953114 /nfs/dbraw/zinc/95/31/14/573953114.db2.gz XAQSOBLKPLOJEG-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CC[C@H](CNC(=O)[C@@H](C)O)C(C)C 308471438 573953119 /nfs/dbraw/zinc/95/31/19/573953119.db2.gz KPILGXZOSYGSCC-RKDXNWHRSA-N 0 0 187.283 1.166 10 0 ADAERN Nc1ncccc1C(=O)CC1CC1 87580898 573953166 /nfs/dbraw/zinc/95/31/66/573953166.db2.gz CWKOWSRAGLIPQX-UHFFFAOYSA-N 0 0 176.219 1.647 10 0 ADAERN CC(=O)[C@H](O)C1=CCCCC1 238206444 573953170 /nfs/dbraw/zinc/95/31/70/573953170.db2.gz MOQUMEVAJURZNO-VIFPVBQESA-N 0 0 154.209 1.437 10 0 ADAERN CC(C)Oc1cc(C(N)=O)ccc1F 238207913 573953126 /nfs/dbraw/zinc/95/31/26/573953126.db2.gz KKFKAEFDAQBJJT-UHFFFAOYSA-N 0 0 197.209 1.712 10 0 ADAERN CC(F)(F)c1cncc(O)c1 238208177 573953131 /nfs/dbraw/zinc/95/31/31/573953131.db2.gz KEAXKTWRAFRXBT-UHFFFAOYSA-N 0 0 159.135 1.899 10 0 ADAERN CCn1nc(C)c(N)c1N(C)C(C)C 85022242 573953178 /nfs/dbraw/zinc/95/31/78/573953178.db2.gz ZYOQAOINYLEGOE-UHFFFAOYSA-N 0 0 196.298 1.638 10 0 ADAERN CCCCn1nc(SC)cc1N 87584272 573953133 /nfs/dbraw/zinc/95/31/33/573953133.db2.gz MITVVPZMPHPXGX-UHFFFAOYSA-N 0 0 185.296 1.987 10 0 ADAERN CO[C@H](CO)c1cccc(F)c1 258522913 573953152 /nfs/dbraw/zinc/95/31/52/573953152.db2.gz MOKGXBFIBPTJQH-SECBINFHSA-N 0 0 170.183 1.506 10 0 ADAERN CSc1c(N)c(C(C)C)nn1C 85022170 573953153 /nfs/dbraw/zinc/95/31/53/573953153.db2.gz NFAAMBGRNIOESB-UHFFFAOYSA-N 0 0 185.296 1.848 10 0 ADAERN CCc1ccn(-c2ccccn2)n1 85020082 573952815 /nfs/dbraw/zinc/95/28/15/573952815.db2.gz HYGQUXMDHYBXAG-UHFFFAOYSA-N 0 0 173.219 1.830 10 0 ADAERN CCC(=O)N(C)C[C@@H]1C[C@H]1C 81559567 573953160 /nfs/dbraw/zinc/95/31/60/573953160.db2.gz YATBXRFRLKNQCM-SFYZADRCSA-N 0 0 155.241 1.511 10 0 ADAERN O=c1cc(C2CC2)nc(CC2CC2)[nH]1 87580519 573953041 /nfs/dbraw/zinc/95/30/41/573953041.db2.gz ZWHASFHINSCPSI-UHFFFAOYSA-N 0 0 190.246 1.600 10 0 ADAERN Clc1nc(CC2CC2)no1 87583191 573952560 /nfs/dbraw/zinc/95/25/60/573952560.db2.gz UODZBQULVVTNNI-UHFFFAOYSA-N 0 0 158.588 1.676 10 0 ADAERN CC[C@@](C)(O)[C@H](C)OC 123180551 573952561 /nfs/dbraw/zinc/95/25/61/573952561.db2.gz XFRLLPHTLIXMBP-NKWVEPMBSA-N 0 0 132.203 1.182 10 0 ADAERN CCC(=O)Nc1nnc(C2CC2)o1 81559407 573952572 /nfs/dbraw/zinc/95/25/72/573952572.db2.gz ZJKKSTFJTASTLI-UHFFFAOYSA-N 0 0 181.195 1.296 10 0 ADAERN NOCc1ccc(OC2CC2)cc1 257909978 573952591 /nfs/dbraw/zinc/95/25/91/573952591.db2.gz AOIKTSVWUACMNO-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN CC1CCC([C@]2(CO)CO2)CC1 238206526 573952616 /nfs/dbraw/zinc/95/26/16/573952616.db2.gz ZEQOLJNCJFGTIR-RTBKNWGFSA-N 0 0 170.252 1.574 10 0 ADAERN O=Cc1nc(-c2cncs2)no1 87575355 573952630 /nfs/dbraw/zinc/95/26/30/573952630.db2.gz OHCMWSMDXOMDKX-UHFFFAOYSA-N 0 0 181.176 1.006 10 0 ADAERN CC(C)[C@@]12C[C@@H]1C(=S)NC2=S 238208605 573952631 /nfs/dbraw/zinc/95/26/31/573952631.db2.gz HPBPFNSYYOSNPI-XRGYYRRGSA-N 0 0 185.317 1.907 10 0 ADAERN CC(C)c1nn(C)c(N(C)C)c1N 85021841 573952640 /nfs/dbraw/zinc/95/26/40/573952640.db2.gz RJQBLSSJJRQJRV-UHFFFAOYSA-N 0 0 182.271 1.192 10 0 ADAERN CCNc1nc(CC2CC2)ns1 87584203 573952642 /nfs/dbraw/zinc/95/26/42/573952642.db2.gz DRRRZLDYPDIUQZ-UHFFFAOYSA-N 0 0 183.280 1.922 10 0 ADAERN CN(C#N)c1ccc(-c2cc[nH]c2)nn1 259249476 573952643 /nfs/dbraw/zinc/95/26/43/573952643.db2.gz LGARUDWKYMWHPV-UHFFFAOYSA-N 0 0 199.217 1.389 10 0 ADAERN CCC(O)(CC)[C@H](C)[C@@H](C)O 238207475 573952667 /nfs/dbraw/zinc/95/26/67/573952667.db2.gz ZOMOEWVRPOSKGO-HTQZYQBOSA-N 0 0 160.257 1.554 10 0 ADAERN Cn1nc(C2CC2)cc1Cl 85018540 573952682 /nfs/dbraw/zinc/95/26/82/573952682.db2.gz WFPNUEKWKNNXHG-UHFFFAOYSA-N 0 0 156.616 1.951 10 0 ADAERN C[C@H]1Cc2ccccc2[C@H](C(=O)[O-])[NH2+]1 85017468 573952687 /nfs/dbraw/zinc/95/26/87/573952687.db2.gz FKDVPCJCOHIVCL-OIBJUYFYSA-N 0 0 191.230 1.347 10 0 ADAERN Cc1cc(N)sc1C(=O)N(C)C 104112354 573952700 /nfs/dbraw/zinc/95/27/00/573952700.db2.gz LDLOVMRDKTYBCY-UHFFFAOYSA-N 0 0 184.264 1.341 10 0 ADAERN CCc1nc(CC2CC2)nc(N)c1C 87583505 573952702 /nfs/dbraw/zinc/95/27/02/573952702.db2.gz WTZXLZURSCDDQH-UHFFFAOYSA-N 0 0 191.278 1.882 10 0 ADAERN OC[C@@H](F)C[C@H]1CCCSC1 257910120 573952703 /nfs/dbraw/zinc/95/27/03/573952703.db2.gz QDZIKXYXHFTBJB-SFYZADRCSA-N 0 0 178.272 1.850 10 0 ADAERN CC=C[C@H](O)c1ncc(C)s1 642825082 573952711 /nfs/dbraw/zinc/95/27/11/573952711.db2.gz MSKGOWYTIQYIHV-SDLBARTOSA-N 0 0 168.241 1.733 10 0 ADAERN CC(C)(C)NC(=N)c1cncs1 87575323 573952715 /nfs/dbraw/zinc/95/27/15/573952715.db2.gz PZXYPQBURKKBIO-UHFFFAOYSA-N 0 0 183.280 1.857 10 0 ADAERN Cc1ccc(C[C@H](C)O)c(C=O)c1 257910189 573952741 /nfs/dbraw/zinc/95/27/41/573952741.db2.gz ARVRLQOKMLAMDA-VIFPVBQESA-N 0 0 178.231 1.731 10 0 ADAERN CON(C)c1c(N)c(C(C)C)nn1C 85021975 573952742 /nfs/dbraw/zinc/95/27/42/573952742.db2.gz SYYXXTFHBPAWBU-UHFFFAOYSA-N 0 0 198.270 1.123 10 0 ADAERN CCCc1c(C=O)cnn1CC 257909786 573952753 /nfs/dbraw/zinc/95/27/53/573952753.db2.gz AHFCCGXOAYOCHA-UHFFFAOYSA-N 0 0 166.224 1.668 10 0 ADAERN CC(C)[C@@]1(C)C=C[C@@H](O)C1 238208574 573953068 /nfs/dbraw/zinc/95/30/68/573953068.db2.gz NURGCUUBIWJPGW-BDAKNGLRSA-N 0 0 140.226 1.970 10 0 ADAERN O[C@H]1CCCc2nnc(C3CCC3)n21 258461573 573952772 /nfs/dbraw/zinc/95/27/72/573952772.db2.gz XJFYXHVAXSTBQR-VIFPVBQESA-N 0 0 193.250 1.373 10 0 ADAERN CC(C)c1ncc([C@@H](C)CO)o1 257910479 573952773 /nfs/dbraw/zinc/95/27/73/573952773.db2.gz CLDAHLWJELZEPE-ZETCQYMHSA-N 0 0 169.224 1.894 10 0 ADAERN CCNc1cccc(C(N)=S)n1 81598916 573952811 /nfs/dbraw/zinc/95/28/11/573952811.db2.gz XRPANSQKNSRTFB-UHFFFAOYSA-N 0 0 181.264 1.148 10 0 ADAERN CSc1ncnc2ccc(N)cc12 81593943 573952829 /nfs/dbraw/zinc/95/28/29/573952829.db2.gz PLNWTYGLFYOAEQ-UHFFFAOYSA-N 0 0 191.259 1.934 10 0 ADAERN Cn1cc(NCC2CCC2)ccc1=O 87584629 573952849 /nfs/dbraw/zinc/95/28/49/573952849.db2.gz VXNYKRDHOGLZGR-UHFFFAOYSA-N 0 0 192.262 1.597 10 0 ADAERN CC(=O)N(C)C[C@@H]1C[C@H]1C 81559106 573952850 /nfs/dbraw/zinc/95/28/50/573952850.db2.gz XOTZDTKDCFYZMA-SVRRBLITSA-N 0 0 141.214 1.121 10 0 ADAERN CC1(C)CCC(=O)c2sc(N)nc21 238207826 573952852 /nfs/dbraw/zinc/95/28/52/573952852.db2.gz MESWLBRBBLOKJE-UHFFFAOYSA-N 0 0 196.275 1.979 10 0 ADAERN c1ccn2c([C@H]3CCOC3)nnc2c1 257911173 573952867 /nfs/dbraw/zinc/95/28/67/573952867.db2.gz GXNHUXHEWZYKEJ-QMMMGPOBSA-N 0 0 189.218 1.233 10 0 ADAERN CC1(C)C[C@@H](CC(=O)[O-])C[N@@H+]1C1CC1 259249370 573952869 /nfs/dbraw/zinc/95/28/69/573952869.db2.gz FEDHHPYDQXAYPV-MRVPVSSYSA-N 0 0 197.278 1.724 10 0 ADAERN CCCc1nn(C)c(NCC)c1N 85021529 573952887 /nfs/dbraw/zinc/95/28/87/573952887.db2.gz HAKLVMUELBRYRZ-UHFFFAOYSA-N 0 0 182.271 1.387 10 0 ADAERN Cc1cc(=O)[nH]c(CC2CC2)n1 87580493 573952901 /nfs/dbraw/zinc/95/29/01/573952901.db2.gz AICLMYWESGKKSW-UHFFFAOYSA-N 0 0 164.208 1.031 10 0 ADAERN Cc1nc(C(=O)N2CCCCC2)no1 81563849 573952903 /nfs/dbraw/zinc/95/29/03/573952903.db2.gz GCRQZXGBUUTNLE-UHFFFAOYSA-N 0 0 195.222 1.004 10 0 ADAERN CC1(C)CCC[C@@H](O)[C@@H]1CO 238208504 573952943 /nfs/dbraw/zinc/95/29/43/573952943.db2.gz XVOQRPZACATOQZ-JGVFFNPUSA-N 0 0 158.241 1.166 10 0 ADAERN CCn1nc(C)c(N)c1NCC(C)C 85022292 573952950 /nfs/dbraw/zinc/95/29/50/573952950.db2.gz DYKZIYYEHSIRAL-UHFFFAOYSA-N 0 0 196.298 1.862 10 0 ADAERN Cc1n[nH]cc1OC(C)C 238207125 573952952 /nfs/dbraw/zinc/95/29/52/573952952.db2.gz NGQIZJIYJWVHGE-UHFFFAOYSA-N 0 0 140.186 1.505 10 0 ADAERN Cc1ccc2cnc([C@H](C)O)n2c1 257915626 573952972 /nfs/dbraw/zinc/95/29/72/573952972.db2.gz QTCGQKIUTRNENX-QMMMGPOBSA-N 0 0 176.219 1.696 10 0 ADAERN COc1cccc2oc(C=O)nc12 104099746 573952974 /nfs/dbraw/zinc/95/29/74/573952974.db2.gz MHUKGORIRBSELQ-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN CC(=O)N(C)C[C@H]1C[C@@H]1C 81559102 573953002 /nfs/dbraw/zinc/95/30/02/573953002.db2.gz XOTZDTKDCFYZMA-POYBYMJQSA-N 0 0 141.214 1.121 10 0 ADAERN C[C@H](N)C(F)(F)c1cccc(O)c1 257910270 573953004 /nfs/dbraw/zinc/95/30/04/573953004.db2.gz QFQBDNGCZUDDES-LURJTMIESA-N 0 0 187.189 1.831 10 0 ADAERN Cc1cnc(N)c([C@@H](O)CC2CC2)c1 87581380 573953015 /nfs/dbraw/zinc/95/30/15/573953015.db2.gz SGHFAAPBHXCAPM-JTQLQIEISA-N 0 0 192.262 1.806 10 0 ADAERN OC[C@@H](F)C[C@@H]1CCCSC1 257910123 573953019 /nfs/dbraw/zinc/95/30/19/573953019.db2.gz QDZIKXYXHFTBJB-YUMQZZPRSA-N 0 0 178.272 1.850 10 0 ADAERN CC(=O)N1CC[C@@H](C)C[C@@H]1C 81558998 573953079 /nfs/dbraw/zinc/95/30/79/573953079.db2.gz GRMSOWHOCAIBAI-SFYZADRCSA-N 0 0 155.241 1.653 10 0 ADAERN Clc1n[nH]c(CC2CC2)n1 87584193 573953189 /nfs/dbraw/zinc/95/31/89/573953189.db2.gz UWEWPONCMMSEFL-UHFFFAOYSA-N 0 0 157.604 1.411 10 0 ADAERN COCC[C@@H](CO)C(C)C 85040636 573957022 /nfs/dbraw/zinc/95/70/22/573957022.db2.gz FHMRBKRANMQDPL-QMMMGPOBSA-N 0 0 146.230 1.287 10 0 ADAERN ONCCc1ccc(F)cc1 258462028 573954455 /nfs/dbraw/zinc/95/44/55/573954455.db2.gz HFDGRPSXYNQCHZ-UHFFFAOYSA-N 0 0 155.172 1.347 10 0 ADAERN CO[C@@H]1CCc2ccc(N)cc21 258462038 573954423 /nfs/dbraw/zinc/95/44/23/573954423.db2.gz HFGYUJJSDLLVNR-SNVBAGLBSA-N 0 0 163.220 1.903 10 0 ADAERN CCn1[nH]c(=O)c2cccc(C)c21 257910140 573954425 /nfs/dbraw/zinc/95/44/25/573954425.db2.gz QELNEBDUZANMIS-UHFFFAOYSA-N 0 0 176.219 1.658 10 0 ADAERN Cc1nn2ccnc(Cl)c2c1C=O 257909899 573954439 /nfs/dbraw/zinc/95/44/39/573954439.db2.gz AMFAPMGUTHKRRP-UHFFFAOYSA-N 0 0 195.609 1.504 10 0 ADAERN Cc1c(O)cccc1[C@H](C)CO 257910201 573954458 /nfs/dbraw/zinc/95/44/58/573954458.db2.gz ARWGAENNIXUEER-SSDOTTSWSA-N 0 0 166.220 1.796 10 0 ADAERN CNc1cc(C)nc(CC2CC2)n1 87583442 573954070 /nfs/dbraw/zinc/95/40/70/573954070.db2.gz QOLDJZSUQVJXGD-UHFFFAOYSA-N 0 0 177.251 1.779 10 0 ADAERN OCc1c[nH]c(-c2cncs2)n1 87575295 573954087 /nfs/dbraw/zinc/95/40/87/573954087.db2.gz BHMKJMCLNBIGSD-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN Cc1ccc(-c2nc(=O)[nH]o2)s1 258189847 573954100 /nfs/dbraw/zinc/95/41/00/573954100.db2.gz YOSICDNWBXZBNJ-UHFFFAOYSA-N 0 0 182.204 1.812 10 0 ADAERN Cn1ccc(-c2ccc(O)cc2)c1N 258188846 573954105 /nfs/dbraw/zinc/95/41/05/573954105.db2.gz UDCNKIOWBYWWSD-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN Cc1c(-c2ccncc2)nc[nH]c1=O 235843214 573954109 /nfs/dbraw/zinc/95/41/09/573954109.db2.gz NXLIRKJWJIXQLD-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CC(=O)N[C@@]1(C(C)C)CCSC1 238210703 573954129 /nfs/dbraw/zinc/95/41/29/573954129.db2.gz QWCNYQMZLMSLMK-VIFPVBQESA-N 0 0 187.308 1.654 10 0 ADAERN Cc1ccccc1[C@@H]1CCON1 257910247 573954130 /nfs/dbraw/zinc/95/41/30/573954130.db2.gz AJVWNXVBOZJJRI-JTQLQIEISA-N 0 0 163.220 1.961 10 0 ADAERN CCC[C@@H]1C=C(/C=C\CO)C(=O)O1 222706620 573954132 /nfs/dbraw/zinc/95/41/32/573954132.db2.gz WWJYPRXNKYXREE-AZVKUDOFSA-N 0 0 182.219 1.187 10 0 ADAERN N=C(c1cncs1)N1CCCCC1 87575330 573954138 /nfs/dbraw/zinc/95/41/38/573954138.db2.gz GOELMGGVNILBMR-UHFFFAOYSA-N 0 0 195.291 1.954 10 0 ADAERN O=Cc1cc2c(cc1[N+](=O)[O-])COC2 216366677 573954146 /nfs/dbraw/zinc/95/41/46/573954146.db2.gz HDTKCWAQKMBYLG-UHFFFAOYSA-N 0 0 193.158 1.438 10 0 ADAERN Cn1nc([C@@H]2CCCS2)cc1C=O 259249950 573954148 /nfs/dbraw/zinc/95/41/48/573954148.db2.gz NQFHZCMIFDSTDR-VIFPVBQESA-N 0 0 196.275 1.801 10 0 ADAERN CC1(C)C(=O)CC=CC[C@@H]1O 238209192 573954161 /nfs/dbraw/zinc/95/41/61/573954161.db2.gz TYLQIZPHXKIOBD-ZETCQYMHSA-N 0 0 154.209 1.293 10 0 ADAERN Cc1cc(O)ccc1C(=O)CN(C)C 104100971 573954165 /nfs/dbraw/zinc/95/41/65/573954165.db2.gz WAAKADQRRXMAPZ-UHFFFAOYSA-N 0 0 193.246 1.445 10 0 ADAERN CC(C)Sc1nc(N)cn1C 257909722 573954171 /nfs/dbraw/zinc/95/41/71/573954171.db2.gz PQKARWXOABHUTQ-UHFFFAOYSA-N 0 0 171.269 1.503 10 0 ADAERN CC(C)[C@@H](CO)C(=O)c1cc[nH]c1 259250009 573954190 /nfs/dbraw/zinc/95/41/90/573954190.db2.gz WONGNWQEAVAERA-SECBINFHSA-N 0 0 181.235 1.462 10 0 ADAERN Cc1cc(C=O)nc(CC2CC2)n1 87583726 573954215 /nfs/dbraw/zinc/95/42/15/573954215.db2.gz QURPHAXXJRJDLZ-UHFFFAOYSA-N 0 0 176.219 1.550 10 0 ADAERN CC(C)[C@]1(CO)CCC(=O)C1 238210152 573954217 /nfs/dbraw/zinc/95/42/17/573954217.db2.gz LDSPDGDVONVICA-SECBINFHSA-N 0 0 156.225 1.374 10 0 ADAERN OC[C@@H]1CC[C@H]1c1ccccc1O 257910171 573954230 /nfs/dbraw/zinc/95/42/30/573954230.db2.gz QENPBSGBCQRTFO-DTWKUNHWSA-N 0 0 178.231 1.878 10 0 ADAERN CC1(C)[C@@H](O)[C@]1(O)c1ccccc1 238210811 573954241 /nfs/dbraw/zinc/95/42/41/573954241.db2.gz HEVFWEWJXMVCTC-MWLCHTKSSA-N 0 0 178.231 1.275 10 0 ADAERN N[C@H](c1ccco1)c1cncs1 87574125 573954257 /nfs/dbraw/zinc/95/42/57/573954257.db2.gz KNZNYNCAMIZAOL-MRVPVSSYSA-N 0 0 180.232 1.784 10 0 ADAERN CCCn1nc(C)c(N)c1N(C)C 85023099 573954268 /nfs/dbraw/zinc/95/42/68/573954268.db2.gz IKCBUCLKWJTGGH-UHFFFAOYSA-N 0 0 182.271 1.250 10 0 ADAERN CC(C)[C@]1(C)NC(=O)N=C1N(C)C 238208666 573954273 /nfs/dbraw/zinc/95/42/73/573954273.db2.gz IVTJZVGHLPHZMD-VIFPVBQESA-N 0 0 183.255 1.084 10 0 ADAERN OCc1cnc(CC2CC2)s1 87584211 573954276 /nfs/dbraw/zinc/95/42/76/573954276.db2.gz SAPHPVCSZQCYRW-UHFFFAOYSA-N 0 0 169.249 1.588 10 0 ADAERN CCN(C)c1c(N)c(C)nn1CC 85022367 573954279 /nfs/dbraw/zinc/95/42/79/573954279.db2.gz UATCXOXGOXKORQ-UHFFFAOYSA-N 0 0 182.271 1.250 10 0 ADAERN CSc1cc(N)n(C(C)(C)C)n1 87584237 573954281 /nfs/dbraw/zinc/95/42/81/573954281.db2.gz PCNVOQLIQGTXDN-UHFFFAOYSA-N 0 0 185.296 1.942 10 0 ADAERN CC(C)[C@]1(O)CC(C)(C)CC1=O 238210744 573954284 /nfs/dbraw/zinc/95/42/84/573954284.db2.gz FYANDXPLXMOFDX-SNVBAGLBSA-N 0 0 170.252 1.763 10 0 ADAERN CO[C@@H](CO)c1cccc(F)c1 258522917 573954309 /nfs/dbraw/zinc/95/43/09/573954309.db2.gz MOKGXBFIBPTJQH-VIFPVBQESA-N 0 0 170.183 1.506 10 0 ADAERN CC/C(C)=C/C=C/CO 238209484 573954314 /nfs/dbraw/zinc/95/43/14/573954314.db2.gz CDTJVIBYNPHWAH-DVBIZMGNSA-N 0 0 126.199 1.891 10 0 ADAERN C1CC1Cc1noc(NC2CC2)n1 87583684 573954316 /nfs/dbraw/zinc/95/43/16/573954316.db2.gz QURAGYOJUUBPJK-UHFFFAOYSA-N 0 0 179.223 1.596 10 0 ADAERN CC1(C)c2cccn2CC[C@@H]1O 238209624 573954319 /nfs/dbraw/zinc/95/43/19/573954319.db2.gz XZIRCFCNTMOKOO-VIFPVBQESA-N 0 0 165.236 1.530 10 0 ADAERN CCc1nc(CC2CC2)[nH]c(=O)c1C 87580521 573954328 /nfs/dbraw/zinc/95/43/28/573954328.db2.gz IKYRFOQXTVHKGV-UHFFFAOYSA-N 0 0 192.262 1.593 10 0 ADAERN CCn1nc(C)c(N)c1NC1CCC1 85022647 573954335 /nfs/dbraw/zinc/95/43/35/573954335.db2.gz ZEHJIQANEBMHFF-UHFFFAOYSA-N 0 0 194.282 1.758 10 0 ADAERN CCCCCCN1CCCN(N)C1=O 127710048 573954343 /nfs/dbraw/zinc/95/43/43/573954343.db2.gz NSUQSNGXRKEIEO-UHFFFAOYSA-N 0 0 199.298 1.568 10 0 ADAERN Cc1ccc(CCCO)c(C)c1O 257909986 573954348 /nfs/dbraw/zinc/95/43/48/573954348.db2.gz AOSLDKILWQLFIJ-UHFFFAOYSA-N 0 0 180.247 1.934 10 0 ADAERN CC(=O)c1nc(CC2CC2)no1 87583953 573954354 /nfs/dbraw/zinc/95/43/54/573954354.db2.gz SRRRDVHAILTRIA-UHFFFAOYSA-N 0 0 166.180 1.225 10 0 ADAERN CC(C)[C@H](CO)C(=O)c1cc[nH]c1 259250011 573954373 /nfs/dbraw/zinc/95/43/73/573954373.db2.gz WONGNWQEAVAERA-VIFPVBQESA-N 0 0 181.235 1.462 10 0 ADAERN Cc1cc(CO)nc(CC2CC2)n1 87583793 573954420 /nfs/dbraw/zinc/95/44/20/573954420.db2.gz NGHXCHRANZVOLJ-UHFFFAOYSA-N 0 0 178.235 1.230 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCC[C@H](C2CC2)C1 81643532 573954385 /nfs/dbraw/zinc/95/43/85/573954385.db2.gz HNYKEIHOGNOLCN-ONGXEEELSA-N 0 0 197.278 1.629 10 0 ADAERN C/C=C/c1nnc(N)s1 104085196 573954394 /nfs/dbraw/zinc/95/43/94/573954394.db2.gz MZLTUBKJCMOYPM-NSCUHMNNSA-N 0 0 141.199 1.153 10 0 ADAERN CCn1nc(C)c(N)c1N(C)C1CC1 85022372 573954409 /nfs/dbraw/zinc/95/44/09/573954409.db2.gz IVGFPYNYUZMUPP-UHFFFAOYSA-N 0 0 194.282 1.392 10 0 ADAERN Cn1c(CO)cc2c(O)cccc21 257910602 573954410 /nfs/dbraw/zinc/95/44/10/573954410.db2.gz NKHJQTUVOIDUBR-UHFFFAOYSA-N 0 0 177.203 1.376 10 0 ADAERN COC[C@@H](O)[C@@]1(C)CC1(C)C 642825109 573954414 /nfs/dbraw/zinc/95/44/14/573954414.db2.gz OQXNLSVTBRUJGD-VXNVDRBHSA-N 0 0 158.241 1.430 10 0 ADAERN OCCc1cc(C2CCC2)no1 87586280 573956720 /nfs/dbraw/zinc/95/67/20/573956720.db2.gz VXWDCBNLASKGHW-UHFFFAOYSA-N 0 0 167.208 1.477 10 0 ADAERN CNOCCc1ccccc1F 257911707 573957066 /nfs/dbraw/zinc/95/70/66/573957066.db2.gz AOLVCWPRCQSCGP-UHFFFAOYSA-N 0 0 169.199 1.519 10 0 ADAERN NC(=O)C=C1CCCCC1 104146482 573956854 /nfs/dbraw/zinc/95/68/54/573956854.db2.gz HPTFRRHUFYPYNB-UHFFFAOYSA-N 0 0 139.198 1.362 10 0 ADAERN Cc1cc2nncn2c2c(O)cccc12 258188645 573957025 /nfs/dbraw/zinc/95/70/25/573957025.db2.gz VSCKPFBIALSKFQ-UHFFFAOYSA-N 0 0 199.213 1.897 10 0 ADAERN O[C@@H]1CCO[C@@H](C2CCC2)C1 87586220 573957027 /nfs/dbraw/zinc/95/70/27/573957027.db2.gz ZMOAEBBUEJRFPI-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)[C@]1(O)CCC(=O)C1 238210827 573957075 /nfs/dbraw/zinc/95/70/75/573957075.db2.gz RRJICOFCYJNXCU-QMMMGPOBSA-N 0 0 142.198 1.127 10 0 ADAERN CCC(=O)NC1=NCCCS1 238209026 573957080 /nfs/dbraw/zinc/95/70/80/573957080.db2.gz FAQGCIGDFHEHNV-UHFFFAOYSA-N 0 0 172.253 1.006 10 0 ADAERN O=Cc1nc(C2CC2)co1 258463769 573957086 /nfs/dbraw/zinc/95/70/86/573957086.db2.gz HKIDUFNUZXTTJY-UHFFFAOYSA-N 0 0 137.138 1.365 10 0 ADAERN CC[C@](C)(CO)CCOC 85039312 573957098 /nfs/dbraw/zinc/95/70/98/573957098.db2.gz HGNBWFKEIFDPCQ-QMMMGPOBSA-N 0 0 146.230 1.432 10 0 ADAERN CC1=C([C@@H](O)C(C)C)C1 238210789 573957107 /nfs/dbraw/zinc/95/71/07/573957107.db2.gz ZTTXTVAAPDVGPF-QMMMGPOBSA-N 0 0 126.199 1.724 10 0 ADAERN CC(=O)c1cnoc1[C@@H]1CCCOC1 259249848 573957108 /nfs/dbraw/zinc/95/71/08/573957108.db2.gz NOWVGPREFDHDHR-MRVPVSSYSA-N 0 0 195.218 1.771 10 0 ADAERN CCCCNc1nncc(NC)n1 238210761 573957115 /nfs/dbraw/zinc/95/71/15/573957115.db2.gz AXCLNJFQXAMDKW-UHFFFAOYSA-N 0 0 181.243 1.125 10 0 ADAERN CC1(C)[C@@H](O)CCCCC[C@H]1O 238209334 573956722 /nfs/dbraw/zinc/95/67/22/573956722.db2.gz PBTCTMXANAAEFF-DTORHVGOSA-N 0 0 172.268 1.699 10 0 ADAERN CC(=O)c1nc(-c2cncs2)no1 87575354 573956098 /nfs/dbraw/zinc/95/60/98/573956098.db2.gz SHPJKVIYENHGOD-UHFFFAOYSA-N 0 0 195.203 1.396 10 0 ADAERN CCOCC[C@@H](C)CO 85038838 573956121 /nfs/dbraw/zinc/95/61/21/573956121.db2.gz JWQJLIQESDUDLM-SSDOTTSWSA-N 0 0 132.203 1.041 10 0 ADAERN 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CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCOC1(C)C 393496392 573959971 /nfs/dbraw/zinc/95/99/71/573959971.db2.gz PXNFKYRACQEURS-AEJSXWLSSA-N 0 0 199.294 1.321 10 0 ADAERN CC[C@@H](CO)C[C@H]1CCCO1 85041439 573959983 /nfs/dbraw/zinc/95/99/83/573959983.db2.gz IJBWQYBVUCPSFJ-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CC[C@@](C)(CO)CCOC 85039314 573960007 /nfs/dbraw/zinc/96/00/07/573960007.db2.gz HGNBWFKEIFDPCQ-MRVPVSSYSA-N 0 0 146.230 1.432 10 0 ADAERN Cc1ccc([C@H]2CC(N)=NO2)cc1 257920238 573960015 /nfs/dbraw/zinc/96/00/15/573960015.db2.gz RIVNVMWGMXOJEE-SECBINFHSA-N 0 0 176.219 1.729 10 0 ADAERN C[C@@H](CO)Cc1cscn1 85038862 573960016 /nfs/dbraw/zinc/96/00/16/573960016.db2.gz JQTVWTNZYAICOC-ZCFIWIBFSA-N 0 0 157.238 1.314 10 0 ADAERN Cc1ccc(-c2noc(CO)n2)o1 257912932 573960040 /nfs/dbraw/zinc/96/00/40/573960040.db2.gz FMSJBOWFKRQQGI-UHFFFAOYSA-N 0 0 180.163 1.130 10 0 ADAERN O=C([O-])[C@H](C1CCC1)[NH+]1CCCC1 87585756 573960060 /nfs/dbraw/zinc/96/00/60/573960060.db2.gz CYTXXUVXWQXDQK-VIFPVBQESA-N 0 0 183.251 1.336 10 0 ADAERN CS[C@@H](C)CNc1cncc(N)c1 123192518 573960079 /nfs/dbraw/zinc/96/00/79/573960079.db2.gz OQCXYEOSSZBZMB-ZETCQYMHSA-N 0 0 197.307 1.827 10 0 ADAERN C[C@H]1NC(=O)C[C@H]1C1CCC1 87586445 573960137 /nfs/dbraw/zinc/96/01/37/573960137.db2.gz CJQUHKDJTVLWRE-HTRCEHHLSA-N 0 0 153.225 1.311 10 0 ADAERN CO[C@H](C)CC(=O)c1cccnc1 127887568 573960139 /nfs/dbraw/zinc/96/01/39/573960139.db2.gz YEMQZYCQAJJONJ-MRVPVSSYSA-N 0 0 179.219 1.689 10 0 ADAERN CC(C)C[C@@]1(CO)CCOC1 85041711 573960177 /nfs/dbraw/zinc/96/01/77/573960177.db2.gz OTKKZBHFSLUEMS-SECBINFHSA-N 0 0 158.241 1.432 10 0 ADAERN Cc1cc2c(cc1C)OC[C@H](CO)C2 235840520 573960208 /nfs/dbraw/zinc/96/02/08/573960208.db2.gz RGUHSKRWNQKDIK-JTQLQIEISA-N 0 0 192.258 1.847 10 0 ADAERN CC[C@@H](CO)CCCOC 85041453 573960221 /nfs/dbraw/zinc/96/02/21/573960221.db2.gz LMOXWKQRSHILGC-MRVPVSSYSA-N 0 0 146.230 1.432 10 0 ADAERN C[C@H]1Cc2cc(CON)ccc2O1 257921257 573962121 /nfs/dbraw/zinc/96/21/21/573962121.db2.gz CAACQQNCSCRUCD-ZETCQYMHSA-N 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JXCYLMHGSUJPIG-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN CSC[C@@H](C)NC(=O)n1ccnc1 127886354 573960348 /nfs/dbraw/zinc/96/03/48/573960348.db2.gz FUQPATMYKZWURI-SSDOTTSWSA-N 0 0 199.279 1.192 10 0 ADAERN CCCCN(CCO)c1ccncn1 42493174 573960375 /nfs/dbraw/zinc/96/03/75/573960375.db2.gz UHDAZAQKEDOLKW-UHFFFAOYSA-N 0 0 195.266 1.075 10 0 ADAERN COc1cc(CNO)c(C)c(C)c1O 258189568 573960398 /nfs/dbraw/zinc/96/03/98/573960398.db2.gz XFYMUUVAJPXRFW-UHFFFAOYSA-N 0 0 197.234 1.496 10 0 ADAERN CCOCC[C@H](C)CO 85038840 573960417 /nfs/dbraw/zinc/96/04/17/573960417.db2.gz JWQJLIQESDUDLM-ZETCQYMHSA-N 0 0 132.203 1.041 10 0 ADAERN CC[C@@H](CO)CCOC 85041115 573960494 /nfs/dbraw/zinc/96/04/94/573960494.db2.gz VGMZKGQEDDMUDG-SSDOTTSWSA-N 0 0 132.203 1.041 10 0 ADAERN OC[C@]1(Cc2cccs2)CCOC1 85041964 573960468 /nfs/dbraw/zinc/96/04/68/573960468.db2.gz NBJIQBZFLIAPHW-SNVBAGLBSA-N 0 0 198.287 1.690 10 0 ADAERN Cc1cc(O)c([C@@H](C)CO)cc1O 258189450 573960499 /nfs/dbraw/zinc/96/04/99/573960499.db2.gz XDXJAGQLZMWFFL-ZETCQYMHSA-N 0 0 182.219 1.502 10 0 ADAERN CC(C)OC[C@@H](O)c1cccc(O)c1 258190525 573960500 /nfs/dbraw/zinc/96/05/00/573960500.db2.gz VVKLIAFKESLNNS-LLVKDONJSA-N 0 0 196.246 1.851 10 0 ADAERN C[C@@H](CO)c1ccc(O)c(F)c1O 258189455 573960534 /nfs/dbraw/zinc/96/05/34/573960534.db2.gz XEAVSHWFAADHMK-YFKPBYRVSA-N 0 0 186.182 1.333 10 0 ADAERN C[C@@H](C[C@H]1CCCSC1)ON 259587965 573960555 /nfs/dbraw/zinc/96/05/55/573960555.db2.gz ZFEVLJJGXMVQFK-JGVFFNPUSA-N 0 0 175.297 1.799 10 0 ADAERN O=C1CC[C@H]([C@H]2CCCSC2)N1 257920044 573960568 /nfs/dbraw/zinc/96/05/68/573960568.db2.gz RHQJYRUFYUHRDN-JGVFFNPUSA-N 0 0 185.292 1.408 10 0 ADAERN CC(C)[C@H](O)CC(=O)C1CC1 238211450 573960585 /nfs/dbraw/zinc/96/05/85/573960585.db2.gz SEXNLFAOORIRPJ-MRVPVSSYSA-N 0 0 156.225 1.373 10 0 ADAERN NC(=O)Nc1cc(C=O)ccc1F 257920953 573960587 /nfs/dbraw/zinc/96/05/87/573960587.db2.gz RLZYOQPANOMOOW-UHFFFAOYSA-N 0 0 182.154 1.129 10 0 ADAERN Cc1cc(C)c(O)c(C(=O)N(C)C)c1 197144831 573960589 /nfs/dbraw/zinc/96/05/89/573960589.db2.gz PSENFQFTGATKOO-UHFFFAOYSA-N 0 0 193.246 1.711 10 0 ADAERN C[C@H](CO)C[C@@H]1CCCO1 85039005 573960591 /nfs/dbraw/zinc/96/05/91/573960591.db2.gz JNOASAKTOAKPAB-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1cc(-c2cc(=O)[nH]cn2)ccn1 235850994 573960694 /nfs/dbraw/zinc/96/06/94/573960694.db2.gz FEXCWEWFUMEWQU-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN C[C@H](O)c1ccc2nccn2c1 150322736 573960719 /nfs/dbraw/zinc/96/07/19/573960719.db2.gz ASBKDANIZBEHHJ-ZETCQYMHSA-N 0 0 162.192 1.388 10 0 ADAERN O=C1CC[C@@H]([C@H]2CCCSC2)N1 257920054 573962142 /nfs/dbraw/zinc/96/21/42/573962142.db2.gz RHQJYRUFYUHRDN-YUMQZZPRSA-N 0 0 185.292 1.408 10 0 ADAERN COC[C@@H]1CCc2cccc(N)c21 257920973 573960725 /nfs/dbraw/zinc/96/07/25/573960725.db2.gz RNAAJYWSWSIGSA-VIFPVBQESA-N 0 0 177.247 1.945 10 0 ADAERN CCO[C@@H]1C[C@H]1[NH2+][C@H]1CCOC1(C)C 393496394 573960780 /nfs/dbraw/zinc/96/07/80/573960780.db2.gz PXNFKYRACQEURS-BBBLOLIVSA-N 0 0 199.294 1.321 10 0 ADAERN CC1(C)CCC[C@@](C)([C@H](O)CO)O1 238212175 573960785 /nfs/dbraw/zinc/96/07/85/573960785.db2.gz OFXJOAAFADMRFI-SCZZXKLOSA-N 0 0 188.267 1.077 10 0 ADAERN CN[C@@H]1C(=O)c2ccoc2S[C@@H]1C 74239604 573960790 /nfs/dbraw/zinc/96/07/90/573960790.db2.gz IWAHSHSGHVLORS-VDTYLAMSSA-N 0 0 197.259 1.545 10 0 ADAERN CC1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 238211820 573960797 /nfs/dbraw/zinc/96/07/97/573960797.db2.gz MOBCSVOWYHIVCG-UWVGGRQHSA-N 0 0 181.235 1.085 10 0 ADAERN CNCc1nc([C@@H]2CCCCO2)no1 257920496 573960798 /nfs/dbraw/zinc/96/07/98/573960798.db2.gz GDJURZLSQWWDLU-ZETCQYMHSA-N 0 0 197.238 1.031 10 0 ADAERN C[C@@H](ON)c1cccc(F)c1 259588038 573960826 /nfs/dbraw/zinc/96/08/26/573960826.db2.gz ZHSFEIBGPGSLST-ZCFIWIBFSA-N 0 0 155.172 1.777 10 0 ADAERN O=c1nc(-c2cccs2)o[nH]1 257913084 573960834 /nfs/dbraw/zinc/96/08/34/573960834.db2.gz FNXUEZDOFQGEAG-UHFFFAOYSA-N 0 0 168.177 1.504 10 0 ADAERN CC[C@H](CO)CCCOC 85041451 573960837 /nfs/dbraw/zinc/96/08/37/573960837.db2.gz LMOXWKQRSHILGC-QMMMGPOBSA-N 0 0 146.230 1.432 10 0 ADAERN CC(C)CCCCCn1cnc(N)n1 383173827 573960898 /nfs/dbraw/zinc/96/08/98/573960898.db2.gz SSLOCVAFJQTXOJ-UHFFFAOYSA-N 0 0 196.298 1.907 10 0 ADAERN C[C@H](OC(=O)[C@@H](C)N)c1ccccc1 42462859 573960887 /nfs/dbraw/zinc/96/08/87/573960887.db2.gz DCTUMHBWCJEEIT-BDAKNGLRSA-N 0 0 193.246 1.638 10 0 ADAERN CC1(C)CCC[C@@](C)(C(N)=O)O1 238211044 573960904 /nfs/dbraw/zinc/96/09/04/573960904.db2.gz CFWVMVLJTQOJKJ-VIFPVBQESA-N 0 0 171.240 1.210 10 0 ADAERN CC1(C)CCC[C@@](C)(O)[C@H](O)C1 238212051 573960917 /nfs/dbraw/zinc/96/09/17/573960917.db2.gz GRGULHCRBPWRCW-PSASIEDQSA-N 0 0 172.268 1.699 10 0 ADAERN CCC/C=C(/CO)C[C@@H](C)O 238212857 573960937 /nfs/dbraw/zinc/96/09/37/573960937.db2.gz QRFFCISFSIZVSE-CBVZUMJXSA-N 0 0 158.241 1.476 10 0 ADAERN C[C@@H](CO)C[C@@H]1CCCO1 85039007 573960948 /nfs/dbraw/zinc/96/09/48/573960948.db2.gz JNOASAKTOAKPAB-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)[C@]1([C@H](C)O)C=CCCC1=O 238211479 573960969 /nfs/dbraw/zinc/96/09/69/573960969.db2.gz MKNJGPVFGANSOO-ONGXEEELSA-N 0 0 182.263 1.929 10 0 ADAERN COC[C@@H]1Cc2ccc(N)cc2C1 257920259 573961309 /nfs/dbraw/zinc/96/13/09/573961309.db2.gz RJJUZZUDZBKGHQ-MRVPVSSYSA-N 0 0 177.247 1.630 10 0 ADAERN Cc1cc2c(cc1C)OC[C@@H](CO)C2 235840568 573961042 /nfs/dbraw/zinc/96/10/42/573961042.db2.gz RGUHSKRWNQKDIK-SNVBAGLBSA-N 0 0 192.258 1.847 10 0 ADAERN C[C@H](C[C@@H]1CCCSC1)ON 259587968 573961053 /nfs/dbraw/zinc/96/10/53/573961053.db2.gz ZFEVLJJGXMVQFK-SFYZADRCSA-N 0 0 175.297 1.799 10 0 ADAERN CC[C@@H](CO)C[C@@H]1CCCO1 85041435 573961076 /nfs/dbraw/zinc/96/10/76/573961076.db2.gz IJBWQYBVUCPSFJ-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CC1(C)[C@H]2[C@@H](O)CC(=O)CC[C@H]21 238211725 573961084 /nfs/dbraw/zinc/96/10/84/573961084.db2.gz DGBGLOSUIZECAA-HRDYMLBCSA-N 0 0 168.236 1.373 10 0 ADAERN OC[C@]1(CC2CCCC2)CCOC1 85041850 573961104 /nfs/dbraw/zinc/96/11/04/573961104.db2.gz NSPKPTNVIIHUKH-LLVKDONJSA-N 0 0 184.279 1.966 10 0 ADAERN CCC[N@H+](CC1CC1)[C@@H](CC)C(=O)[O-] 42490599 573961125 /nfs/dbraw/zinc/96/11/25/573961125.db2.gz JXCYLMHGSUJPIG-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN OC[C@@]1(Cc2cscn2)CCOC1 85041830 573961128 /nfs/dbraw/zinc/96/11/28/573961128.db2.gz IQHMSCUUZSBOBX-VIFPVBQESA-N 0 0 199.275 1.085 10 0 ADAERN CC(C)[C@@]1(O)N=CNc2ccccc21 238211465 573961131 /nfs/dbraw/zinc/96/11/31/573961131.db2.gz TZUKGXRJHSAANP-NSHDSACASA-N 0 0 190.246 1.751 10 0 ADAERN CSCCS[C@@H](C)[C@@H](C)O 222831658 573961144 /nfs/dbraw/zinc/96/11/44/573961144.db2.gz GHMJQUZMYLOVAQ-RQJHMYQMSA-N 0 0 180.338 1.852 10 0 ADAERN CCNc1nc(N)n([C@@H](C)C2CC2)n1 87587159 573961176 /nfs/dbraw/zinc/96/11/76/573961176.db2.gz DEACCRMRGUFDBO-LURJTMIESA-N 0 0 195.270 1.263 10 0 ADAERN CC(C)n1nc(NC2CC2)nc1N 87587085 573961193 /nfs/dbraw/zinc/96/11/93/573961193.db2.gz VABBQGBGKWYLQY-UHFFFAOYSA-N 0 0 181.243 1.016 10 0 ADAERN C1CCC([C@H]2CCNO2)CC1 258463853 573961196 /nfs/dbraw/zinc/96/11/96/573961196.db2.gz HLVGYLRGGCVJIJ-SECBINFHSA-N 0 0 155.241 1.860 10 0 ADAERN CC1=C(Cl)[C@@H](O)C[P@](C)(=O)C1 238211242 573961217 /nfs/dbraw/zinc/96/12/17/573961217.db2.gz XNVINBPGNKPNQW-UPONEAKYSA-N 0 0 194.598 1.867 10 0 ADAERN OC[C@]1(Cc2ccccc2)CCOC1 85041911 573961218 /nfs/dbraw/zinc/96/12/18/573961218.db2.gz XYDFTSUEVXLLEK-GFCCVEGCSA-N 0 0 192.258 1.628 10 0 ADAERN O=C1CC[C@@H]2CCCC[C@H]2CN1 197155075 573961227 /nfs/dbraw/zinc/96/12/27/573961227.db2.gz MRUKUUUFLZLYKO-IUCAKERBSA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@H](C)n1nc(NC(C)C)nc1N 87587142 573961260 /nfs/dbraw/zinc/96/12/60/573961260.db2.gz QBGDHUHZKPMNLC-ZETCQYMHSA-N 0 0 197.286 1.652 10 0 ADAERN COC(=O)C(C)(C)Cc1ccncc1 259252147 573961271 /nfs/dbraw/zinc/96/12/71/573961271.db2.gz WSLINNOUJLRUNU-UHFFFAOYSA-N 0 0 193.246 1.823 10 0 ADAERN Nc1nnc(C2CCCCCC2)n1N 87588029 573961304 /nfs/dbraw/zinc/96/13/04/573961304.db2.gz GWMZMLNTTHGZQB-UHFFFAOYSA-N 0 0 195.270 1.012 10 0 ADAERN CC(C)c1nc(N)cc2nc[nH]c12 257920936 573961356 /nfs/dbraw/zinc/96/13/56/573961356.db2.gz RLKLRASDCOUGKM-UHFFFAOYSA-N 0 0 176.223 1.664 10 0 ADAERN CC1(C)C(=O)N[C@@H]2CCC[C@H]21 238212447 573961360 /nfs/dbraw/zinc/96/13/60/573961360.db2.gz SMMFJPBZELMRDH-RNFRBKRXSA-N 0 0 153.225 1.311 10 0 ADAERN [NH3+]CC1(c2c(O)cccc2O)CCC1 258189518 573961370 /nfs/dbraw/zinc/96/13/70/573961370.db2.gz XFAMJVPLONEKGH-UHFFFAOYSA-N 0 0 193.246 1.478 10 0 ADAERN CC1(C)CCC[C@@]1(C)C(=O)CO 238212368 573961385 /nfs/dbraw/zinc/96/13/85/573961385.db2.gz PCCHTPXKSNEJOR-JTQLQIEISA-N 0 0 170.252 1.764 10 0 ADAERN CSc1nc(N)n([C@H](C)C2CC2)n1 87586894 573961394 /nfs/dbraw/zinc/96/13/94/573961394.db2.gz UXKRHIRXFZXGDZ-RXMQYKEDSA-N 0 0 198.295 1.553 10 0 ADAERN O=C([O-])CC1C[NH+](C2CCCC2)C1 81743324 573961448 /nfs/dbraw/zinc/96/14/48/573961448.db2.gz YECHNNUGZYMBOE-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN CC1(C)[C@H]2[C@@H](O)CCC[C@H]21 238212388 573961452 /nfs/dbraw/zinc/96/14/52/573961452.db2.gz SXEKHAOGLOVWEV-GJMOJQLCSA-N 0 0 140.226 1.803 10 0 ADAERN CCC(=O)Nc1nc(CNC)cs1 76784984 573961453 /nfs/dbraw/zinc/96/14/53/573961453.db2.gz PNBPYOVMJQGVSX-UHFFFAOYSA-N 0 0 199.279 1.211 10 0 ADAERN CC(C)[C@]12CC[C@](O)(CO)[C@H]1C2 238212658 573961458 /nfs/dbraw/zinc/96/14/58/573961458.db2.gz YFVHFVBKJFHSAE-AEJSXWLSSA-N 0 0 170.252 1.166 10 0 ADAERN Cc1cc(CCON)cc2c1OCC2 258189530 573961479 /nfs/dbraw/zinc/96/14/79/573961479.db2.gz XFILTILTILKPGF-UHFFFAOYSA-N 0 0 193.246 1.363 10 0 ADAERN C[C@H](ON)c1cccc(F)c1 259588037 573961481 /nfs/dbraw/zinc/96/14/81/573961481.db2.gz ZHSFEIBGPGSLST-LURJTMIESA-N 0 0 155.172 1.777 10 0 ADAERN CN1C(=S)/C(=C/N)c2ccccc21 222823971 573961494 /nfs/dbraw/zinc/96/14/94/573961494.db2.gz IAKMYAQBQTWGEJ-SOFGYWHQSA-N 0 0 190.271 1.763 10 0 ADAERN CC(C)[C@H](O)C1=NC(C)(C)CS1 238211003 573961498 /nfs/dbraw/zinc/96/14/98/573961498.db2.gz NVVMATBJRNFLIK-ZETCQYMHSA-N 0 0 187.308 1.927 10 0 ADAERN COCNCc1cc(F)ccc1OC 259251310 573961507 /nfs/dbraw/zinc/96/15/07/573961507.db2.gz ZVHJWICTUFHNCS-UHFFFAOYSA-N 0 0 199.225 1.528 10 0 ADAERN C[C@H]1COC(c2ccc(C=O)cc2)=N1 257913226 573961535 /nfs/dbraw/zinc/96/15/35/573961535.db2.gz BATRGQCQZDRTBX-QMMMGPOBSA-N 0 0 189.214 1.664 10 0 ADAERN CC[C@H](CO)CN(C)c1cc[nH]c1 259028651 573961537 /nfs/dbraw/zinc/96/15/37/573961537.db2.gz QGJAEDHAJNCWQW-VIFPVBQESA-N 0 0 182.267 1.469 10 0 ADAERN CCNc1nc(N)n([C@H](C)C2CC2)n1 87587160 573961551 /nfs/dbraw/zinc/96/15/51/573961551.db2.gz DEACCRMRGUFDBO-ZCFIWIBFSA-N 0 0 195.270 1.263 10 0 ADAERN COCCc1cn2cccc(C)c2n1 257921178 573961553 /nfs/dbraw/zinc/96/15/53/573961553.db2.gz HZCDJNPGWVZABZ-UHFFFAOYSA-N 0 0 190.246 1.832 10 0 ADAERN CCCNC(=O)N(C)CC1CCC1 123207563 573961579 /nfs/dbraw/zinc/96/15/79/573961579.db2.gz LYAJRYALHOUYKF-UHFFFAOYSA-N 0 0 184.283 1.838 10 0 ADAERN CCCNc1nc(N)n(C(C)C)n1 87587087 573961581 /nfs/dbraw/zinc/96/15/81/573961581.db2.gz JXWHBQFARQJZMZ-UHFFFAOYSA-N 0 0 183.259 1.263 10 0 ADAERN CC1(C)CCC[C@@]1(C)NC=O 238212407 573961617 /nfs/dbraw/zinc/96/16/17/573961617.db2.gz BLLLRLMUNZAVFI-SECBINFHSA-N 0 0 155.241 1.701 10 0 ADAERN CNc1nc(N)n(C2CCCC2)n1 87587113 573961638 /nfs/dbraw/zinc/96/16/38/573961638.db2.gz URCBIXYFCXVCOI-UHFFFAOYSA-N 0 0 181.243 1.017 10 0 ADAERN CCCCOC(=N)CCO 238212406 573961653 /nfs/dbraw/zinc/96/16/53/573961653.db2.gz WMOZXDXKDILHBJ-UHFFFAOYSA-N 0 0 145.202 1.163 10 0 ADAERN Cc1cc(=O)[nH]n1C(C)(C)C 257913456 573961665 /nfs/dbraw/zinc/96/16/65/573961665.db2.gz AUKWRPXJSHHNRQ-UHFFFAOYSA-N 0 0 154.213 1.652 10 0 ADAERN COC[C@H]1CCc2cccc(N)c21 257920972 573961671 /nfs/dbraw/zinc/96/16/71/573961671.db2.gz RNAAJYWSWSIGSA-SECBINFHSA-N 0 0 177.247 1.945 10 0 ADAERN Cc1nc(-c2ccc(N)s2)n[nH]1 104184238 573961705 /nfs/dbraw/zinc/96/17/05/573961705.db2.gz CBOPLYCKWSWXOL-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Nc1nc(N2CCCCCC2)no1 87587845 573961717 /nfs/dbraw/zinc/96/17/17/573961717.db2.gz UQKSYSWYHKOKIG-UHFFFAOYSA-N 0 0 182.227 1.032 10 0 ADAERN CCNc1nc(N)n([C@@H](C)CC)n1 87587136 573961722 /nfs/dbraw/zinc/96/17/22/573961722.db2.gz SCBDAJNIFCBLCY-LURJTMIESA-N 0 0 183.259 1.263 10 0 ADAERN CC[C@@](N)(C(=O)OC)C(C)(C)F 257920999 573961746 /nfs/dbraw/zinc/96/17/46/573961746.db2.gz ROEQJHISOZTZGP-MRVPVSSYSA-N 0 0 177.219 1.015 10 0 ADAERN Cn1cc(N)nc1Oc1ccccc1 257913290 573961782 /nfs/dbraw/zinc/96/17/82/573961782.db2.gz QABUZVNTHNEHCH-UHFFFAOYSA-N 0 0 189.218 1.795 10 0 ADAERN OCC[C@@H](F)c1cccc(O)c1 257913205 573961793 /nfs/dbraw/zinc/96/17/93/573961793.db2.gz ASEPMVQVNUKGRY-SECBINFHSA-N 0 0 170.183 1.785 10 0 ADAERN OC1(CC[C@H]2CCCOC2)CC1 257920434 573961821 /nfs/dbraw/zinc/96/18/21/573961821.db2.gz GCHJMXDUFWUVPL-SECBINFHSA-N 0 0 170.252 1.718 10 0 ADAERN Cc1cc(O)c(Cl)c(C(=O)CN)c1 258190917 573961851 /nfs/dbraw/zinc/96/18/51/573961851.db2.gz RRJNZTCUBRNEKX-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN COc1cc(F)cc(CCO)c1F 258189573 573961866 /nfs/dbraw/zinc/96/18/66/573961866.db2.gz XGEZDXWWEAWKMH-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN Nc1ccnc2c(C=O)cccc12 257920824 573961917 /nfs/dbraw/zinc/96/19/17/573961917.db2.gz RJSNKJYRGRQXEZ-UHFFFAOYSA-N 0 0 172.187 1.630 10 0 ADAERN CNc1nc(N)n(C2CCCCC2)n1 87587118 573961931 /nfs/dbraw/zinc/96/19/31/573961931.db2.gz KPGOPYWPIGRZHU-UHFFFAOYSA-N 0 0 195.270 1.407 10 0 ADAERN Cc1ccc(CO)c2c1OCCO2 257913209 573961966 /nfs/dbraw/zinc/96/19/66/573961966.db2.gz BARLPYRIOAWIKO-UHFFFAOYSA-N 0 0 180.203 1.259 10 0 ADAERN CNCc1nc([C@H]2CCCCO2)no1 257920494 573961973 /nfs/dbraw/zinc/96/19/73/573961973.db2.gz GDJURZLSQWWDLU-SSDOTTSWSA-N 0 0 197.238 1.031 10 0 ADAERN CCC[C@@H](O)c1ccc(O)cc1N 257920829 573961995 /nfs/dbraw/zinc/96/19/95/573961995.db2.gz RJTKFNPXQVFJCR-SNVBAGLBSA-N 0 0 181.235 1.808 10 0 ADAERN CC(=O)c1cc(Cl)c(=O)n(C)c1 257912911 573962001 /nfs/dbraw/zinc/96/20/01/573962001.db2.gz QNYCWMYXHQAXHJ-UHFFFAOYSA-N 0 0 185.610 1.241 10 0 ADAERN CCn1nc(C(=O)OC(C)C)cc1N 257921237 573962013 /nfs/dbraw/zinc/96/20/13/573962013.db2.gz NRJNASWHQKNOFJ-UHFFFAOYSA-N 0 0 197.238 1.050 10 0 ADAERN CO[C@H](C)CC(=O)c1cnccc1C 127897246 573962058 /nfs/dbraw/zinc/96/20/58/573962058.db2.gz DCDSQJHHRHBBJW-SECBINFHSA-N 0 0 193.246 1.998 10 0 ADAERN Cc1nc(-c2ccsc2N)n[nH]1 104184137 573962060 /nfs/dbraw/zinc/96/20/60/573962060.db2.gz LKDUPIRYPKHKQG-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN NC(=O)Cc1ccccc1OC1CC1 238558788 573962078 /nfs/dbraw/zinc/96/20/78/573962078.db2.gz OAKVSTPTVVVENY-UHFFFAOYSA-N 0 0 191.230 1.256 10 0 ADAERN CC[C@@H](C[C@H](C)O)n1cc[nH]c1=O 716874106 573965400 /nfs/dbraw/zinc/96/54/00/573965400.db2.gz UCEKZKQWGKXZEV-YUMQZZPRSA-N 0 0 184.239 1.311 10 0 ADAERN Cc1c[nH]c(-c2cscn2)n1 87595742 573965188 /nfs/dbraw/zinc/96/51/88/573965188.db2.gz YVVQKYXVFVZJOQ-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN CC1=CC(=O)NC(C)(C)CC1 238218351 573965198 /nfs/dbraw/zinc/96/51/98/573965198.db2.gz FASYAKIFMZEXBD-UHFFFAOYSA-N 0 0 153.225 1.621 10 0 ADAERN CNc1ccnc(-c2cscn2)n1 87595950 573965422 /nfs/dbraw/zinc/96/54/22/573965422.db2.gz OBASCSPPLKRVFG-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CC(C)Cc1[nH]c(=O)c(N)cc1N 257920228 573964043 /nfs/dbraw/zinc/96/40/43/573964043.db2.gz RIROQTUEEWJQNQ-UHFFFAOYSA-N 0 0 181.239 1.150 10 0 ADAERN CC1(C)CCN2C(=O)CC[C@@H]2[C@H]1CO 238216296 573964050 /nfs/dbraw/zinc/96/40/50/573964050.db2.gz QSCQHZTZZLOQPG-RKDXNWHRSA-N 0 0 197.278 1.016 10 0 ADAERN CC(C)CNc1nc(N)n(C(C)C)n1 87587083 573964067 /nfs/dbraw/zinc/96/40/67/573964067.db2.gz PHLWPWLMEXRHRJ-UHFFFAOYSA-N 0 0 197.286 1.509 10 0 ADAERN Cc1cc(NC2COC2)c(C)cc1O 235857702 573964070 /nfs/dbraw/zinc/96/40/70/573964070.db2.gz QDHQAGZDELNYRC-UHFFFAOYSA-N 0 0 193.246 1.820 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C[C@@H]2O 238216088 573964079 /nfs/dbraw/zinc/96/40/79/573964079.db2.gz ICDQFAVYZAUQQS-HJGDQZAQSA-N 0 0 184.279 1.554 10 0 ADAERN CCC[C@H](C(=O)OC)N(C)C1CC1 259028853 573964082 /nfs/dbraw/zinc/96/40/82/573964082.db2.gz JLELXDRHYKVECC-SECBINFHSA-N 0 0 185.267 1.422 10 0 ADAERN CCC(=O)Nc1cc2nc[nH]c2cn1 238216651 573964092 /nfs/dbraw/zinc/96/40/92/573964092.db2.gz WBMMQDMSBVJTGD-UHFFFAOYSA-N 0 0 190.206 1.306 10 0 ADAERN CCCCC[C@@H]1O[C@@H]1[C@H](C)O 393574958 573964133 /nfs/dbraw/zinc/96/41/33/573964133.db2.gz OVZKVCJFWHUEKR-XHNCKOQMSA-N 0 0 158.241 1.715 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CCN(C)C1=S 238217122 573964216 /nfs/dbraw/zinc/96/42/16/573964216.db2.gz HOMHXUHCHWULPY-YUMQZZPRSA-N 0 0 187.308 1.282 10 0 ADAERN CCC=C=C(C)CO 238216421 573964226 /nfs/dbraw/zinc/96/42/26/573964226.db2.gz HNYVBHZBANAYHL-UHFFFAOYSA-N 0 0 112.172 1.490 10 0 ADAERN CCC(=O)Nc1nc(CC)ns1 238216238 573964272 /nfs/dbraw/zinc/96/42/72/573964272.db2.gz YIKNEXXDGBGWHY-UHFFFAOYSA-N 0 0 185.252 1.449 10 0 ADAERN CCC(=O)Nc1nnc(Cl)s1 238216491 573964277 /nfs/dbraw/zinc/96/42/77/573964277.db2.gz NYYFNAUDGMAKOZ-UHFFFAOYSA-N 0 0 191.643 1.540 10 0 ADAERN CCCn1nc(NC(C)(C)C)nc1N 87587099 573964286 /nfs/dbraw/zinc/96/42/86/573964286.db2.gz OGTUKUWUPDXEEC-UHFFFAOYSA-N 0 0 197.286 1.481 10 0 ADAERN CCC(=O)Nc1nc(C)cnc1C 238216160 573964313 /nfs/dbraw/zinc/96/43/13/573964313.db2.gz WPEHDGGTTPHFJO-UHFFFAOYSA-N 0 0 179.223 1.442 10 0 ADAERN O[C@H]1COC[C@H]1CC1CCCC1 687968141 573964322 /nfs/dbraw/zinc/96/43/22/573964322.db2.gz XRVKOJRUXXXDHC-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN COc1ccc([C@@H](C)CO)c(O)c1 258192002 573964367 /nfs/dbraw/zinc/96/43/67/573964367.db2.gz XNBSJQXKVSMCEA-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN CC(C)OCC[C@H](O)c1ncccn1 53785085 573965471 /nfs/dbraw/zinc/96/54/71/573965471.db2.gz VRHKOSUGYKRGKC-VIFPVBQESA-N 0 0 196.250 1.325 10 0 ADAERN Cc1cccc(NC(CO)CO)c1C 259029048 573964417 /nfs/dbraw/zinc/96/44/17/573964417.db2.gz SSUBURDCORFUER-UHFFFAOYSA-N 0 0 195.262 1.069 10 0 ADAERN COC(OC)[C@](C)(O)C(C)C 85073543 573964442 /nfs/dbraw/zinc/96/44/42/573964442.db2.gz KNRURCBWBVCBDB-MRVPVSSYSA-N 0 0 162.229 1.012 10 0 ADAERN COc1ccc(F)c([C@H](C)CO)c1 258192073 573964472 /nfs/dbraw/zinc/96/44/72/573964472.db2.gz XOPLQFYOGPHAHB-SSDOTTSWSA-N 0 0 184.210 1.930 10 0 ADAERN CC[C@@H](C)C(=O)c1cn[nH]n1 87598779 573965475 /nfs/dbraw/zinc/96/54/75/573965475.db2.gz VKUAFSMBOZSRKU-RXMQYKEDSA-N 0 0 153.185 1.034 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1cc(N)n(C)n1 716529121 573964499 /nfs/dbraw/zinc/96/44/99/573964499.db2.gz YHOWWQXYBJTBKD-XGEHTFHBSA-N 0 0 191.278 1.762 10 0 ADAERN CC(C)CC(=O)C1(CO)CCC1 259029794 573964510 /nfs/dbraw/zinc/96/45/10/573964510.db2.gz BLXPNDITDXKGQP-UHFFFAOYSA-N 0 0 170.252 1.764 10 0 ADAERN CNc1nc(-c2cscn2)ns1 87596543 573964660 /nfs/dbraw/zinc/96/46/60/573964660.db2.gz JXRWCGAFGAXHQT-UHFFFAOYSA-N 0 0 198.276 1.703 10 0 ADAERN COc1ccc(C=O)c(C[C@@H](C)O)c1 258192066 573964665 /nfs/dbraw/zinc/96/46/65/573964665.db2.gz XONOPJXNPVTSCN-MRVPVSSYSA-N 0 0 194.230 1.431 10 0 ADAERN CCC(CC)N(CCO)C(=O)C1CC1 42506317 573964669 /nfs/dbraw/zinc/96/46/69/573964669.db2.gz FQBQZPYZFJXTFQ-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN COc1cc(F)cc(CC2(O)CC2)c1 258191998 573964681 /nfs/dbraw/zinc/96/46/81/573964681.db2.gz XMZIVJMCAPBYCP-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN CCNc1nc(-c2cscn2)no1 87596100 573964751 /nfs/dbraw/zinc/96/47/51/573964751.db2.gz ZWLDHBACOUJHKW-UHFFFAOYSA-N 0 0 196.235 1.625 10 0 ADAERN O=c1nc(-c2ccc(O)cc2)o[nH]1 258192230 573964753 /nfs/dbraw/zinc/96/47/53/573964753.db2.gz YRASYDFKXFWBPI-UHFFFAOYSA-N 0 0 178.147 1.148 10 0 ADAERN COc1cc(CNO)c(F)cc1F 258192013 573964782 /nfs/dbraw/zinc/96/47/82/573964782.db2.gz XNPLUPSHPLWCFY-UHFFFAOYSA-N 0 0 189.161 1.452 10 0 ADAERN O=C(c1cn[nH]n1)C1CCCC1 87598460 573964805 /nfs/dbraw/zinc/96/48/05/573964805.db2.gz AOJQZRAHXZUMNR-UHFFFAOYSA-N 0 0 165.196 1.178 10 0 ADAERN COc1cc2c(cc1N)CCO2 82320405 573964813 /nfs/dbraw/zinc/96/48/13/573964813.db2.gz DXBCWRWKDJOANV-UHFFFAOYSA-N 0 0 165.192 1.212 10 0 ADAERN Cc1cc2cc(NN)ccc2n1C 259252754 573964821 /nfs/dbraw/zinc/96/48/21/573964821.db2.gz QQHPPFSTTDUXCH-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN C[C@H]1CCC[C@H](C(=O)c2cn[nH]n2)C1 87598712 573964827 /nfs/dbraw/zinc/96/48/27/573964827.db2.gz RVYREHBKFJVHFG-YUMQZZPRSA-N 0 0 193.250 1.814 10 0 ADAERN C[C@H](O)c1nc(-c2cscn2)no1 87596364 573964850 /nfs/dbraw/zinc/96/48/50/573964850.db2.gz GJUQTRGBBZIDIV-BYPYZUCNSA-N 0 0 197.219 1.246 10 0 ADAERN CC(C)[C@H](O)[C@H]1OC1(C)C 238219640 573964859 /nfs/dbraw/zinc/96/48/59/573964859.db2.gz PLNWNXNKULDZDI-NKWVEPMBSA-N 0 0 144.214 1.181 10 0 ADAERN CCOc1ncccc1NC1COC1 87596902 573964884 /nfs/dbraw/zinc/96/48/84/573964884.db2.gz XGWGXRIYNHPHMX-UHFFFAOYSA-N 0 0 194.234 1.291 10 0 ADAERN COC(OC)[C@@](C)(O)C(C)C 85073541 573964904 /nfs/dbraw/zinc/96/49/04/573964904.db2.gz KNRURCBWBVCBDB-QMMMGPOBSA-N 0 0 162.229 1.012 10 0 ADAERN Clc1nc(-c2cscn2)no1 87595735 573964910 /nfs/dbraw/zinc/96/49/10/573964910.db2.gz BYMQYQILKXGTNC-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN CC(C)[C@H](O)[C@](C)(O)C1=CCCC1 238219843 573964921 /nfs/dbraw/zinc/96/49/21/573964921.db2.gz CBLCVBCILAFJEF-WDEREUQCSA-N 0 0 184.279 1.865 10 0 ADAERN CC[C@@H](C)C[C@](C)(O)C(OC)OC 85073115 573964959 /nfs/dbraw/zinc/96/49/59/573964959.db2.gz JOLBXCJZTIZRBS-SCZZXKLOSA-N 0 0 190.283 1.793 10 0 ADAERN Cc1cc([C@@H](O)c2cn[nH]n2)cs1 87599066 573965010 /nfs/dbraw/zinc/96/50/10/573965010.db2.gz PFRQAWINXFRUPE-MRVPVSSYSA-N 0 0 195.247 1.256 10 0 ADAERN 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Cc1cc(Cl)nc(-c2cn[nH]n2)n1 87598318 573966923 /nfs/dbraw/zinc/96/69/23/573966923.db2.gz JFSUWOLEMDJTOB-UHFFFAOYSA-N 0 0 195.613 1.224 10 0 ADAERN CC1(C)[C@@H]2NC(=O)N=C(N)[C@@H]2C1(C)C 238219230 573966928 /nfs/dbraw/zinc/96/69/28/573966928.db2.gz OIXBUFNUBJHUFU-PHDIDXHHSA-N 0 0 195.266 1.118 10 0 ADAERN CC(C)[C@H](O)[C@@H]1C=CCC1 238219221 573966943 /nfs/dbraw/zinc/96/69/43/573966943.db2.gz QRBMXIUYIKOXQL-BDAKNGLRSA-N 0 0 140.226 1.970 10 0 ADAERN Cc1ccccc1C(=O)c1cn[nH]n1 87598765 573966946 /nfs/dbraw/zinc/96/69/46/573966946.db2.gz ZKNQASTUGYCBMN-UHFFFAOYSA-N 0 0 187.202 1.344 10 0 ADAERN O[C@@H](Cc1ccsc1)c1cn[nH]n1 87599286 573967281 /nfs/dbraw/zinc/96/72/81/573967281.db2.gz RVJIZBUFAURVBM-QMMMGPOBSA-N 0 0 195.247 1.142 10 0 ADAERN CCC[C@@](C)(O)C(OC)OC 85073288 573966976 /nfs/dbraw/zinc/96/69/76/573966976.db2.gz GVGYSWGVQXQRRF-MRVPVSSYSA-N 0 0 162.229 1.156 10 0 ADAERN CCCN1CNCSC1=S 238218348 573966994 /nfs/dbraw/zinc/96/69/94/573966994.db2.gz PJUMCVRJSNHGOG-UHFFFAOYSA-N 0 0 176.310 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153.225 1.479 10 0 ADAERN CCN(CC)c1ccccc1CON 258191876 573967125 /nfs/dbraw/zinc/96/71/25/573967125.db2.gz XKJHBUZZGOUXFJ-UHFFFAOYSA-N 0 0 194.278 1.923 10 0 ADAERN CC1(C)[C@H]2C(=O)[C@@H](F)C[C@H]21 238218739 573967131 /nfs/dbraw/zinc/96/71/31/573967131.db2.gz QIZFOODIMKZXLI-NGJCXOISSA-N 0 0 142.173 1.570 10 0 ADAERN CONCc1c(C)ccc2c1CCO2 258192083 573967167 /nfs/dbraw/zinc/96/71/67/573967167.db2.gz XOTLVLFTMYUGTP-UHFFFAOYSA-N 0 0 193.246 1.581 10 0 ADAERN CC1(C)CC[C@@H]2O[C@]2(C)[C@H]1O 238218875 573967187 /nfs/dbraw/zinc/96/71/87/573967187.db2.gz YMNJBTCIRPNPJG-ZKWXMUAHSA-N 0 0 156.225 1.325 10 0 ADAERN O[C@@H](CC1CC1)c1cscn1 87589164 573967194 /nfs/dbraw/zinc/96/71/94/573967194.db2.gz ILTNBRRYLQCYDD-QMMMGPOBSA-N 0 0 169.249 1.977 10 0 ADAERN CONCc1ccc(C)c(F)c1F 258192043 573967196 /nfs/dbraw/zinc/96/71/96/573967196.db2.gz XOCMKZPSIKLLQJ-UHFFFAOYSA-N 0 0 187.189 1.924 10 0 ADAERN COc1ccc([C@@H](C)O)c(O)c1F 258192037 573967207 /nfs/dbraw/zinc/96/72/07/573967207.db2.gz XOBIOQFCSXFZKI-RXMQYKEDSA-N 0 0 186.182 1.593 10 0 ADAERN O[C@H](c1cn[nH]n1)C1CCCCC1 87598994 573968252 /nfs/dbraw/zinc/96/82/52/573968252.db2.gz XPDCHVGLDIHXTC-VIFPVBQESA-N 0 0 181.239 1.418 10 0 ADAERN CC[C@@H](C)CC(=O)c1cn[nH]n1 87598446 573968272 /nfs/dbraw/zinc/96/82/72/573968272.db2.gz ODXABDGKQICJBB-ZCFIWIBFSA-N 0 0 167.212 1.424 10 0 ADAERN N=C(c1cscn1)N1CCCCC1 87596314 573968306 /nfs/dbraw/zinc/96/83/06/573968306.db2.gz INFNXVFDFRARBY-UHFFFAOYSA-N 0 0 195.291 1.954 10 0 ADAERN Cn1cc(C(=O)c2cscn2)cn1 87589054 573968590 /nfs/dbraw/zinc/96/85/90/573968590.db2.gz MIFAWEHRRCZTGM-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CCC[C@@H](O)c1cscn1 87589296 573968593 /nfs/dbraw/zinc/96/85/93/573968593.db2.gz AOFKGTILGQOEMP-SSDOTTSWSA-N 0 0 157.238 1.977 10 0 ADAERN CNc1cc(C2CCOCC2)[nH]n1 259028900 573968202 /nfs/dbraw/zinc/96/82/02/573968202.db2.gz BGYHZTFYDBZZFQ-UHFFFAOYSA-N 0 0 181.239 1.345 10 0 ADAERN O[C@@H](CC1CCCC1)c1cn[nH]n1 87598926 573968204 /nfs/dbraw/zinc/96/82/04/573968204.db2.gz KWWGCGDPRKLKNU-VIFPVBQESA-N 0 0 181.239 1.418 10 0 ADAERN O[C@@H]1CCCn2c(C3CCC3)nnc21 258193033 573968595 /nfs/dbraw/zinc/96/85/95/573968595.db2.gz FOSMSDOIWOVVPP-MRVPVSSYSA-N 0 0 193.250 1.373 10 0 ADAERN O=Cc1cnc(-c2cscn2)nc1 87596144 573968339 /nfs/dbraw/zinc/96/83/39/573968339.db2.gz BVDCJNYCYJKXAX-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN Oc1cccc(NC2COC2)c1 87596667 573968345 /nfs/dbraw/zinc/96/83/45/573968345.db2.gz SUNXKNOIOQNUPL-UHFFFAOYSA-N 0 0 165.192 1.203 10 0 ADAERN Cc1nc(C2CCOCC2)oc1C=O 258192572 573968346 /nfs/dbraw/zinc/96/83/46/573968346.db2.gz VZVBFYUQMKBHFC-UHFFFAOYSA-N 0 0 195.218 1.690 10 0 ADAERN O[C@H]1COC[C@@H]1CC1CCCC1 687968139 573968349 /nfs/dbraw/zinc/96/83/49/573968349.db2.gz XRVKOJRUXXXDHC-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1cc(=O)[nH]c(-c2cscn2)n1 87588811 573968351 /nfs/dbraw/zinc/96/83/51/573968351.db2.gz FYACDFBMPRBBLR-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN O=C(c1ccsc1)c1cn[nH]n1 87598592 573968365 /nfs/dbraw/zinc/96/83/65/573968365.db2.gz VFAXSLPPNDKZLF-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN C[C@@H]1C(=O)Nc2c(N)cccc2N1C 259253228 573968366 /nfs/dbraw/zinc/96/83/66/573968366.db2.gz NYKRQAWIXAHVRM-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN C[C@@H]1CCC[C@@H](C(=O)c2cn[nH]n2)C1 87598714 573968392 /nfs/dbraw/zinc/96/83/92/573968392.db2.gz RVYREHBKFJVHFG-HTQZYQBOSA-N 0 0 193.250 1.814 10 0 ADAERN Cc1ccsc1[C@H](O)c1cn[nH]n1 87599252 573968410 /nfs/dbraw/zinc/96/84/10/573968410.db2.gz RCDKINUSYCAPRB-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN O[C@H](c1cnccn1)c1cscn1 87589449 573968423 /nfs/dbraw/zinc/96/84/23/573968423.db2.gz PQBSSSPNFGPBSR-MRVPVSSYSA-N 0 0 193.231 1.015 10 0 ADAERN Cc1cccc(C(=O)c2cn[nH]n2)c1 87598555 573968429 /nfs/dbraw/zinc/96/84/29/573968429.db2.gz QGDIZLOHEUVVRS-UHFFFAOYSA-N 0 0 187.202 1.344 10 0 ADAERN O[C@@H](c1ccc(F)cc1)c1cn[nH]n1 87599113 573969095 /nfs/dbraw/zinc/96/90/95/573969095.db2.gz PCMVIQOXDUQHLH-VIFPVBQESA-N 0 0 193.181 1.026 10 0 ADAERN CCCCN1CCC(=O)[C@@H]1C 238219954 573968478 /nfs/dbraw/zinc/96/84/78/573968478.db2.gz FULNZTWNOXBRJZ-QMMMGPOBSA-N 0 0 155.241 1.450 10 0 ADAERN O[C@H](c1cscn1)C1CCOCC1 87589298 573968501 /nfs/dbraw/zinc/96/85/01/573968501.db2.gz BGMDFCOLBFQDEW-VIFPVBQESA-N 0 0 199.275 1.603 10 0 ADAERN OCc1cnc(-c2cscn2)nc1 87596194 573968506 /nfs/dbraw/zinc/96/85/06/573968506.db2.gz VAOCWSGLHJCBOQ-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN Cc1ccc(C(=O)c2cn[nH]n2)cc1 87598689 573968512 /nfs/dbraw/zinc/96/85/12/573968512.db2.gz FDFAXDABNXRJOQ-UHFFFAOYSA-N 0 0 187.202 1.344 10 0 ADAERN CC[C@H](C)C(=O)c1cn[nH]n1 87598781 573968519 /nfs/dbraw/zinc/96/85/19/573968519.db2.gz VKUAFSMBOZSRKU-YFKPBYRVSA-N 0 0 153.185 1.034 10 0 ADAERN Cc1ncccc1NC1COC1 87597418 573968560 /nfs/dbraw/zinc/96/85/60/573968560.db2.gz ODACYHKMBIHXMG-UHFFFAOYSA-N 0 0 164.208 1.201 10 0 ADAERN Cc1cc([C@H](O)c2cn[nH]n2)cs1 87599064 573968566 /nfs/dbraw/zinc/96/85/66/573968566.db2.gz PFRQAWINXFRUPE-QMMMGPOBSA-N 0 0 195.247 1.256 10 0 ADAERN O[C@@H](c1cn[nH]n1)C1CCCCC1 87598992 573968608 /nfs/dbraw/zinc/96/86/08/573968608.db2.gz XPDCHVGLDIHXTC-SECBINFHSA-N 0 0 181.239 1.418 10 0 ADAERN Cc1cc(O)ccc1NC1COC1 87597406 573968612 /nfs/dbraw/zinc/96/86/12/573968612.db2.gz SOPPSOUMEYSETR-UHFFFAOYSA-N 0 0 179.219 1.511 10 0 ADAERN N[C@@H](c1cccnc1)c1cscn1 87589694 573968616 /nfs/dbraw/zinc/96/86/16/573968616.db2.gz OPZYFCWPIWSJRS-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN Cc1cccc([C@H](O)c2cn[nH]n2)c1 87598996 573968624 /nfs/dbraw/zinc/96/86/24/573968624.db2.gz OASBUCOYVPFSHS-JTQLQIEISA-N 0 0 189.218 1.195 10 0 ADAERN O=C(c1cn[nH]n1)c1cccs1 87598775 573968645 /nfs/dbraw/zinc/96/86/45/573968645.db2.gz VBIBPGNOHRGVRR-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN c1nocc1O[C@@H]1CCCSC1 258463544 573968651 /nfs/dbraw/zinc/96/86/51/573968651.db2.gz KPJQMPXAKHPYLK-SSDOTTSWSA-N 0 0 185.248 1.949 10 0 ADAERN O=C(CC1CCC1)c1cn[nH]n1 87598685 573968658 /nfs/dbraw/zinc/96/86/58/573968658.db2.gz UANZSQWEIILCRU-UHFFFAOYSA-N 0 0 165.196 1.178 10 0 ADAERN O[C@H](c1cscn1)C1CC1 87589100 573968669 /nfs/dbraw/zinc/96/86/69/573968669.db2.gz ILYMRTQZVMWYMN-ZETCQYMHSA-N 0 0 155.222 1.587 10 0 ADAERN CSc1cc(CC(N)=O)ccc1N 259252899 573968679 /nfs/dbraw/zinc/96/86/79/573968679.db2.gz QTBCNMJPCBFWJL-UHFFFAOYSA-N 0 0 196.275 1.019 10 0 ADAERN O[C@@H](c1cccc(F)c1)c1cn[nH]n1 87599231 573968708 /nfs/dbraw/zinc/96/87/08/573968708.db2.gz ZLMZKBZBFOSMDJ-VIFPVBQESA-N 0 0 193.181 1.026 10 0 ADAERN CC1(C)CC[C@](C)(O)C1=O 238227635 573968735 /nfs/dbraw/zinc/96/87/35/573968735.db2.gz YZQQUXLODNTMKS-QMMMGPOBSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@H](O)[C@H]1CSc2cccc(O)c21 258191586 573968737 /nfs/dbraw/zinc/96/87/37/573968737.db2.gz TYOKUZDZJSPOMJ-NKWVEPMBSA-N 0 0 196.271 1.962 10 0 ADAERN CCCc1[nH]c(=NC#N)oc1C 238228490 573968746 /nfs/dbraw/zinc/96/87/46/573968746.db2.gz ZUCKQWBKNRXWSP-UHFFFAOYSA-N 0 0 165.196 1.829 10 0 ADAERN CN(C)c1ccccc1NC1COC1 87597009 573968768 /nfs/dbraw/zinc/96/87/68/573968768.db2.gz OVAJSLSDBSHEOA-UHFFFAOYSA-N 0 0 192.262 1.563 10 0 ADAERN CN[C@@H](COC)c1cscn1 87594794 573968795 /nfs/dbraw/zinc/96/87/95/573968795.db2.gz QCVQURJXDPJJQD-LURJTMIESA-N 0 0 172.253 1.050 10 0 ADAERN O=C(CC1CCCC1)c1cn[nH]n1 87598483 573968805 /nfs/dbraw/zinc/96/88/05/573968805.db2.gz VCCUHAPQIOJDSR-UHFFFAOYSA-N 0 0 179.223 1.568 10 0 ADAERN Cc1ccc(NC2COC2)c(C)c1O 87597125 573968843 /nfs/dbraw/zinc/96/88/43/573968843.db2.gz IBTFTWMBHIMMJB-UHFFFAOYSA-N 0 0 193.246 1.820 10 0 ADAERN CC1(C)COC(C[C@H]2CCC[C@H]2O)=N1 238228057 573968886 /nfs/dbraw/zinc/96/88/86/573968886.db2.gz JZUODUCXYGFJRE-RKDXNWHRSA-N 0 0 197.278 1.745 10 0 ADAERN Cc1cc(C2=NCC(=O)N2)ccc1F 235853033 573968890 /nfs/dbraw/zinc/96/88/90/573968890.db2.gz XNDYOXNVZBJODB-UHFFFAOYSA-N 0 0 192.193 1.011 10 0 ADAERN C[C@H]1COc2cccc(O)c2N1 259253240 573968892 /nfs/dbraw/zinc/96/88/92/573968892.db2.gz NYMFZGSRLXXHHL-LURJTMIESA-N 0 0 165.192 1.585 10 0 ADAERN CCC(=O)[C@@H]1OCC[C@@H](C)S1 238227622 573968895 /nfs/dbraw/zinc/96/88/95/573968895.db2.gz HADUMOGNJRKVLS-HTRCEHHLSA-N 0 0 174.265 1.834 10 0 ADAERN COc1ccc(NC2COC2)cc1O 87597145 573968917 /nfs/dbraw/zinc/96/89/17/573968917.db2.gz ULGFRCBMXKQKAL-UHFFFAOYSA-N 0 0 195.218 1.212 10 0 ADAERN CC1=CCC=CC[C@H]1O 238228459 573968920 /nfs/dbraw/zinc/96/89/20/573968920.db2.gz RCOCEQNSBVEVIQ-MRVPVSSYSA-N 0 0 124.183 1.644 10 0 ADAERN c1cc2cn[nH]c2cc1NC1COC1 87597143 573968930 /nfs/dbraw/zinc/96/89/30/573968930.db2.gz QNSISJGMPHHAOZ-UHFFFAOYSA-N 0 0 189.218 1.374 10 0 ADAERN CC(C)CC(=O)c1cn[nH]n1 87598435 573968954 /nfs/dbraw/zinc/96/89/54/573968954.db2.gz YFTJBJBJSRMUQP-UHFFFAOYSA-N 0 0 153.185 1.034 10 0 ADAERN CCCCC(=O)c1cn[nH]n1 87598602 573968971 /nfs/dbraw/zinc/96/89/71/573968971.db2.gz MEWVZTHEGZBUCK-UHFFFAOYSA-N 0 0 153.185 1.178 10 0 ADAERN CCCc1nc(N)c(N)c(=S)[nH]1 238228128 573968972 /nfs/dbraw/zinc/96/89/72/573968972.db2.gz UFXSMOBAQHUJER-UHFFFAOYSA-N 0 0 184.268 1.256 10 0 ADAERN CC1(C)CC[C@](C)(O)C(=O)C1 238227614 573968991 /nfs/dbraw/zinc/96/89/91/573968991.db2.gz NNXUYRGIDPXCOW-VIFPVBQESA-N 0 0 156.225 1.517 10 0 ADAERN CC(C)[C@H]1CCC(=O)[C@H]1CO 238228651 573969011 /nfs/dbraw/zinc/96/90/11/573969011.db2.gz VSBSCJNCLOHPCR-SFYZADRCSA-N 0 0 156.225 1.230 10 0 ADAERN Cc1ccccc1[C@@H](O)c1cn[nH]n1 87599119 573969036 /nfs/dbraw/zinc/96/90/36/573969036.db2.gz WLQWGMZMKZQHDY-SNVBAGLBSA-N 0 0 189.218 1.195 10 0 ADAERN O[C@H](c1cscn1)[C@@H]1CCOC1 87589220 573969076 /nfs/dbraw/zinc/96/90/76/573969076.db2.gz YSLFQQHGNNHYSJ-SVRRBLITSA-N 0 0 185.248 1.213 10 0 ADAERN CCOc1ccc(NC2COC2)cn1 87597455 573969082 /nfs/dbraw/zinc/96/90/82/573969082.db2.gz IXBMKGDSKSFNGU-UHFFFAOYSA-N 0 0 194.234 1.291 10 0 ADAERN CC[C@@H](C)[C@@H](C)NC(=O)n1ccnc1 42558166 573969132 /nfs/dbraw/zinc/96/91/32/573969132.db2.gz KLPXNCFSLMOHBI-RKDXNWHRSA-N 0 0 195.266 1.875 10 0 ADAERN Cc1ccnc(Cl)c1NC1COC1 87597416 573969136 /nfs/dbraw/zinc/96/91/36/573969136.db2.gz POAMGVOTEJFIRP-UHFFFAOYSA-N 0 0 198.653 1.854 10 0 ADAERN C[C@@H](O)c1nc(-c2cscn2)no1 87596368 573969144 /nfs/dbraw/zinc/96/91/44/573969144.db2.gz 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/nfs/dbraw/zinc/97/01/74/573970174.db2.gz JNFCGBNYOJIKHB-RUSZENMMSA-N 0 0 192.258 1.689 10 0 ADAERN CCC1(CC)N=C(C)[C@H](C)N1 238228349 573970187 /nfs/dbraw/zinc/97/01/87/573970187.db2.gz ANRQHGFLFUQELG-ZETCQYMHSA-N 0 0 154.257 1.955 10 0 ADAERN C[C@@H]1CCC[C@H]([C@H](O)c2cn[nH]n2)C1 87599302 573970212 /nfs/dbraw/zinc/97/02/12/573970212.db2.gz DPOSNWSJDWEFLV-WEDXCCLWSA-N 0 0 195.266 1.664 10 0 ADAERN CCC(=O)[C@@H]1O[C@@H]1[Si](C)(C)C 238227696 573970221 /nfs/dbraw/zinc/97/02/21/573970221.db2.gz CXDSGOFCKJCHER-JGVFFNPUSA-N 0 0 172.300 1.610 10 0 ADAERN COC(OC)c1cscn1 85080495 573970225 /nfs/dbraw/zinc/97/02/25/573970225.db2.gz WWWGZRYTQMEPLB-UHFFFAOYSA-N 0 0 159.210 1.435 10 0 ADAERN CCC(=O)N(CCO)C1CCCC1 42512763 573970230 /nfs/dbraw/zinc/97/02/30/573970230.db2.gz AXOGPVSKVYDXAO-UHFFFAOYSA-N 0 0 185.267 1.160 10 0 ADAERN CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](C)C(=O)[O-] 42555387 573970254 /nfs/dbraw/zinc/97/02/54/573970254.db2.gz SASULNMHNITTRZ-HLTSFMKQSA-N 0 0 187.283 1.731 10 0 ADAERN 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127808542 573971324 /nfs/dbraw/zinc/97/13/24/573971324.db2.gz JJNGBKDVDKPISA-ZETCQYMHSA-N 0 0 187.308 1.654 10 0 ADAERN CCC1(CC)NC(=O)C[C@H]1C 238227803 573971349 /nfs/dbraw/zinc/97/13/49/573971349.db2.gz SKPPPGUIOOGNKB-SSDOTTSWSA-N 0 0 155.241 1.701 10 0 ADAERN CC1(C)CC[C@](C)(/C=C/CO)N1O 238227650 573971364 /nfs/dbraw/zinc/97/13/64/573971364.db2.gz WWXYLGNTWOCIKU-YEZKRMTDSA-N 0 0 185.267 1.557 10 0 ADAERN CC(=O)Cc1cn2c(C)csc2n1 82320340 573971371 /nfs/dbraw/zinc/97/13/71/573971371.db2.gz PWCZKALOHAUVBI-UHFFFAOYSA-N 0 0 194.259 1.836 10 0 ADAERN CNc1cccnc1-c1ncc[nH]1 104397995 573971372 /nfs/dbraw/zinc/97/13/72/573971372.db2.gz WCMMMCVRFWSHKU-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]1([NH3+])C(=O)[O-] 104391639 573971378 /nfs/dbraw/zinc/97/13/78/573971378.db2.gz HWHURYCMIFVWFY-HZGVNTEJSA-N 0 0 171.240 1.225 10 0 ADAERN CCC1(CC)N=C(NC(C)C)C(=O)N1 238227699 573971387 /nfs/dbraw/zinc/97/13/87/573971387.db2.gz GWGYILWXKVCYFQ-UHFFFAOYSA-N 0 0 197.282 1.029 10 0 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156.225 1.971 10 0 ADAERN CC1=CCC(=O)[C@@H](CCO)C1 238227631 573971724 /nfs/dbraw/zinc/97/17/24/573971724.db2.gz KVRXYDGDRKPNCE-QMMMGPOBSA-N 0 0 154.209 1.294 10 0 ADAERN COC(=O)[C@@]1(C)C[C@H]2C=C[C@@H]1C2 104396769 573971727 /nfs/dbraw/zinc/97/17/27/573971727.db2.gz AEBDJCUTXUYLDC-XKSSXDPKSA-N 0 0 166.220 1.762 10 0 ADAERN CC1(C)CC[C@]2(CO)O[C@]12C 238228208 573971729 /nfs/dbraw/zinc/97/17/29/573971729.db2.gz HKUWXZDUKAXUSO-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN CCOC(F)F 81914967 573972064 /nfs/dbraw/zinc/97/20/64/573972064.db2.gz KJDVOYQUOWRVOA-UHFFFAOYSA-N 0 0 96.076 1.246 10 0 ADAERN C[NH2+][C@@H](c1cnn[n-]1)C(C)(C)C 87600653 573971800 /nfs/dbraw/zinc/97/18/00/573971800.db2.gz XVGUMIXCIHQNRS-ZETCQYMHSA-N 0 0 168.244 1.111 10 0 ADAERN CC1(C)[C@H]2CC[C@H](C2)[C@@]1(O)CCCO 238228311 573971809 /nfs/dbraw/zinc/97/18/09/573971809.db2.gz YHPKRIXFBVWCNF-UMNHJUIQSA-N 0 0 198.306 1.946 10 0 ADAERN CC1=CCC=CC[C@@H]1O 238228442 573971826 /nfs/dbraw/zinc/97/18/26/573971826.db2.gz RCOCEQNSBVEVIQ-QMMMGPOBSA-N 0 0 124.183 1.644 10 0 ADAERN CCC(=O)[C@@H]1O[C@@H](C)CCS1 238227657 573971829 /nfs/dbraw/zinc/97/18/29/573971829.db2.gz FLRIQRFMSICGMJ-POYBYMJQSA-N 0 0 174.265 1.834 10 0 ADAERN CC1(C)[C@H]2CC[C@@]([NH3+])(C(=O)[O-])[C@@H]1C2 104396150 573971830 /nfs/dbraw/zinc/97/18/30/573971830.db2.gz NTLKXSATLZXPEK-PJKMHFRUSA-N 0 0 183.251 1.225 10 0 ADAERN CC(C)[C@H]1CCC(=O)[C@H](C)C1=O 238228576 573971838 /nfs/dbraw/zinc/97/18/38/573971838.db2.gz ZSDVNXKLUXQPOP-JGVFFNPUSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ccc([C@@H](O)c2cn[nH]n2)cc1 87599538 573971863 /nfs/dbraw/zinc/97/18/63/573971863.db2.gz OJMOINVHUFNQHJ-SNVBAGLBSA-N 0 0 189.218 1.195 10 0 ADAERN Clc1nccc(Nc2cc[nH]n2)n1 104395929 573971883 /nfs/dbraw/zinc/97/18/83/573971883.db2.gz OREKVNMEIOQHLQ-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN CC(C)[C@H]1CCC(=O)[C@@H](C)C1=O 238228436 573971887 /nfs/dbraw/zinc/97/18/87/573971887.db2.gz ZSDVNXKLUXQPOP-HTQZYQBOSA-N 0 0 168.236 1.827 10 0 ADAERN CCCc1nc(N)c(N)cc1Cl 238228196 573971913 /nfs/dbraw/zinc/97/19/13/573971913.db2.gz AALMJKGZICZBAZ-UHFFFAOYSA-N 0 0 185.658 1.852 10 0 ADAERN CC1(C)CC[C@](C)(CCO)N1O 238227544 573971977 /nfs/dbraw/zinc/97/19/77/573971977.db2.gz YWNKEDODYAZNOZ-SECBINFHSA-N 0 0 173.256 1.391 10 0 ADAERN COC(=O)c1ccc(N)c2cc[nH]c12 259590010 573971980 /nfs/dbraw/zinc/97/19/80/573971980.db2.gz BVMIZOFFGWONKP-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN O=Cc1cccn1CCn1cccn1 42542549 573971981 /nfs/dbraw/zinc/97/19/81/573971981.db2.gz ODBQXLXFUHWBIJ-UHFFFAOYSA-N 0 0 189.218 1.197 10 0 ADAERN CCC1(CC)CC(=O)[C@@H](O)C1 238227377 573971991 /nfs/dbraw/zinc/97/19/91/573971991.db2.gz JUKIAZWNAGEUCL-ZETCQYMHSA-N 0 0 156.225 1.517 10 0 ADAERN CC[N@@H+]1CCCC[C@@H](CC(=O)[O-])[C@@H]1C 238228429 573972011 /nfs/dbraw/zinc/97/20/11/573972011.db2.gz ZZRXYRNFSAXUQJ-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CN[C@@H](c1ccccc1)c1cn[nH]n1 87600576 573972018 /nfs/dbraw/zinc/97/20/18/573972018.db2.gz PPQKFJGTTVFPAI-JTQLQIEISA-N 0 0 188.234 1.114 10 0 ADAERN NNc1ccccc1N1CCCC1 104393280 573972025 /nfs/dbraw/zinc/97/20/25/573972025.db2.gz GNQCGRGGOCEHEH-UHFFFAOYSA-N 0 0 177.251 1.572 10 0 ADAERN O=Cc1ccc(OC(F)F)cc1O 198628727 573972946 /nfs/dbraw/zinc/97/29/46/573972946.db2.gz ODDJXVFUVBEFIV-UHFFFAOYSA-N 0 0 188.129 1.806 10 0 ADAERN CCCCOCOCCC(C)=O 238229168 573972922 /nfs/dbraw/zinc/97/29/22/573972922.db2.gz XVGJGLBKMILQPU-UHFFFAOYSA-N 0 0 174.240 1.756 10 0 ADAERN CC1(C)C=C(CC(=O)[O-])C(C)(C)[NH2+]1 104395678 573972959 /nfs/dbraw/zinc/97/29/59/573972959.db2.gz FGMOHCMQEMOMDL-UHFFFAOYSA-N 0 0 183.251 1.548 10 0 ADAERN Cc1cc([C@H](N)c2cn[nH]n2)cs1 87599979 573972967 /nfs/dbraw/zinc/97/29/67/573972967.db2.gz CYZRMESFEWXNNX-QMMMGPOBSA-N 0 0 194.263 1.223 10 0 ADAERN OCc1ccc(-c2ncc[nH]2)o1 104398677 573973002 /nfs/dbraw/zinc/97/30/02/573973002.db2.gz GARYIVHYSKQYMH-UHFFFAOYSA-N 0 0 164.164 1.162 10 0 ADAERN CCC(=O)[C@@]1(Cl)O[C@H]1C(C)C 238229323 573973003 /nfs/dbraw/zinc/97/30/03/573973003.db2.gz ACMXWLNZNKVULO-JGVFFNPUSA-N 0 0 176.643 1.955 10 0 ADAERN C[NH2+][C@@H](c1cnn[n-]1)C1CCCC1 87600812 573973010 /nfs/dbraw/zinc/97/30/10/573973010.db2.gz ABVOEKQGWMIREH-SECBINFHSA-N 0 0 180.255 1.255 10 0 ADAERN CC(C)[C@]12C[C@H]1[C@H](C)[C@]([NH3+])(C(=O)[O-])C2 104396682 573973021 /nfs/dbraw/zinc/97/30/21/573973021.db2.gz GOQLCHGTCCAKKZ-HLFFCZDVSA-N 0 0 197.278 1.471 10 0 ADAERN CC[N@@H+]1CCC[C@@H](C(=O)[O-])[C@@H]1C(C)C 238229659 573973037 /nfs/dbraw/zinc/97/30/37/573973037.db2.gz RFMWAJRPEACEBN-ZJUUUORDSA-N 0 0 199.294 1.828 10 0 ADAERN CC/C=C/[C@H](C)CO 81915526 573973049 /nfs/dbraw/zinc/97/30/49/573973049.db2.gz MPUDDMDNHKEYAK-KPJROHGDSA-N 0 0 114.188 1.581 10 0 ADAERN Cc1nc2ccc(F)c(N)c2nc1C 259590451 573973063 /nfs/dbraw/zinc/97/30/63/573973063.db2.gz ZNYMBRPOOQSLRR-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN CN[C@H](c1ccsc1)c1cn[nH]n1 87600791 573973119 /nfs/dbraw/zinc/97/31/19/573973119.db2.gz NNUPKLXEDNZWBQ-MRVPVSSYSA-N 0 0 194.263 1.175 10 0 ADAERN OCc1nc(Cl)cs1 198640093 573973122 /nfs/dbraw/zinc/97/31/22/573973122.db2.gz AEEYRHMGCWPGIG-UHFFFAOYSA-N 0 0 149.602 1.289 10 0 ADAERN Cc1ccc(C2(CO)OCCO2)cc1 104396690 573973163 /nfs/dbraw/zinc/97/31/63/573973163.db2.gz HWJUMXPWDBYZMD-UHFFFAOYSA-N 0 0 194.230 1.187 10 0 ADAERN CC1(C)CO[C@H](c2ccoc2)N1 238229582 573973199 /nfs/dbraw/zinc/97/31/99/573973199.db2.gz CGCHARVAORKVQU-MRVPVSSYSA-N 0 0 167.208 1.677 10 0 ADAERN CN1C(=O)N(C#N)C[C@@H]1C(C)(C)C 259588583 573973211 /nfs/dbraw/zinc/97/32/11/573973211.db2.gz WGHPBEPBQAHVGA-SSDOTTSWSA-N 0 0 181.239 1.250 10 0 ADAERN COc1cc(F)c(CCO)cc1C 258194473 573973226 /nfs/dbraw/zinc/97/32/26/573973226.db2.gz XUTVCIIQSWKEKE-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN CC1=CCCC(CO)(CO)CCC1 238229691 573973262 /nfs/dbraw/zinc/97/32/62/573973262.db2.gz CPPFIRLGTZZFND-UHFFFAOYSA-N 0 0 184.279 1.868 10 0 ADAERN O=Cc1cccn1CCn1ccnc1 42542551 573973265 /nfs/dbraw/zinc/97/32/65/573973265.db2.gz CMVPTPQXVMBCMV-UHFFFAOYSA-N 0 0 189.218 1.197 10 0 ADAERN FC(F)(Cl)[C@@H]1CN=CO1 104393646 573973277 /nfs/dbraw/zinc/97/32/77/573973277.db2.gz UWZYXHVTBVNSLU-VKHMYHEASA-N 0 0 155.531 1.245 10 0 ADAERN CC(C)(C)[N@@H+]1CC[C@@](C)(C(=O)[O-])C1 259588528 573973288 /nfs/dbraw/zinc/97/32/88/573973288.db2.gz ZXNVGGBCYARSSM-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN CCC1(CC)O[C@H](C)C[C@@H]1O 238229583 573973317 /nfs/dbraw/zinc/97/33/17/573973317.db2.gz UILULPYDHUCCOH-SFYZADRCSA-N 0 0 158.241 1.715 10 0 ADAERN Cc1ccc([C@@H](O)c2cn[nH]n2)s1 87599638 573973327 /nfs/dbraw/zinc/97/33/27/573973327.db2.gz CUOJGBZTOODCLR-QMMMGPOBSA-N 0 0 195.247 1.256 10 0 ADAERN CCC1(CC)C=C[C@H](O)O1 238229377 573973332 /nfs/dbraw/zinc/97/33/32/573973332.db2.gz OIGOYZPRZYLYNK-SSDOTTSWSA-N 0 0 142.198 1.450 10 0 ADAERN C[C@H](O)C(F)(F)CC1CC1 258463577 573973342 /nfs/dbraw/zinc/97/33/42/573973342.db2.gz HIQDOHBFHGGKLB-YFKPBYRVSA-N 0 0 150.168 1.803 10 0 ADAERN CC[C@H](C)[S@@](=O)[C@@H](C)C(C)=O 81914345 573973357 /nfs/dbraw/zinc/97/33/57/573973357.db2.gz MDFJSQASGSOQBX-RASWFIQWSA-N 0 0 176.281 1.511 10 0 ADAERN CCC(=O)[C@@]1(C)CC(=O)C[C@@H]1C 238228929 573973367 /nfs/dbraw/zinc/97/33/67/573973367.db2.gz PLCDOYDPHKYXHX-XVKPBYJWSA-N 0 0 168.236 1.971 10 0 ADAERN OCc1cccc(CF)c1 81914221 573973380 /nfs/dbraw/zinc/97/33/80/573973380.db2.gz HVWLSFGSKLGRHQ-UHFFFAOYSA-N 0 0 140.157 1.648 10 0 ADAERN CC[C@H](C)[S@@](=O)C1=C(O)CCC1 81915313 573973381 /nfs/dbraw/zinc/97/33/81/573973381.db2.gz JYRXZHIRGFJXQZ-VMAXQDLPSA-N 0 0 188.292 1.655 10 0 ADAERN CC(=O)c1csc(-c2cn[nH]n2)n1 87601292 573973387 /nfs/dbraw/zinc/97/33/87/573973387.db2.gz VPGVFFVUHLHDIJ-UHFFFAOYSA-N 0 0 194.219 1.131 10 0 ADAERN C[N@@H+]1C[C@@H](C(=O)[O-])CCC1(C)C 259588456 573973406 /nfs/dbraw/zinc/97/34/06/573973406.db2.gz ZWUBEDNTDBMXJL-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)CCS(=O)(=O)C(C)(C)C 81907077 573974663 /nfs/dbraw/zinc/97/46/63/573974663.db2.gz REIJABOJAHTPAH-UHFFFAOYSA-N 0 0 192.280 1.179 10 0 ADAERN C[C@H]1CCCC(C)(C)[C@]1([NH3+])C(=O)[O-] 104391609 573973450 /nfs/dbraw/zinc/97/34/50/573973450.db2.gz JBRGMPCLGVAIGY-OIBJUYFYSA-N 0 0 185.267 1.615 10 0 ADAERN CCC[C@H](CO)CC1(C)OCCO1 238229854 573973417 /nfs/dbraw/zinc/97/34/17/573973417.db2.gz GAHPTBBMOWUKFB-VIFPVBQESA-N 0 0 188.267 1.548 10 0 ADAERN Cc1cc(C(C)C)cc(C[NH3+])n1 238228933 573973437 /nfs/dbraw/zinc/97/34/37/573973437.db2.gz FQFILKIJLMGQJQ-UHFFFAOYSA-N 0 0 164.252 1.972 10 0 ADAERN CCC(=O)[C@@]12CCCC[C@@H]1O2 238229563 573973485 /nfs/dbraw/zinc/97/34/85/573973485.db2.gz JEPPZNROVYNHGI-IUCAKERBSA-N 0 0 154.209 1.677 10 0 ADAERN O[C@H](CC1CCCCC1)c1cn[nH]n1 87599528 573973488 /nfs/dbraw/zinc/97/34/88/573973488.db2.gz PIORXRDSUDMYKO-SNVBAGLBSA-N 0 0 195.266 1.809 10 0 ADAERN CC(C)(O)Cc1cccc(CNO)c1 259254822 573973570 /nfs/dbraw/zinc/97/35/70/573973570.db2.gz ADCUWZZQMUFUAT-UHFFFAOYSA-N 0 0 195.262 1.479 10 0 ADAERN CCC[C@H]1C[C@H](C(C)=O)OC1=O 238229307 573973585 /nfs/dbraw/zinc/97/35/85/573973585.db2.gz PICYRWRJBGEQHW-JGVFFNPUSA-N 0 0 170.208 1.307 10 0 ADAERN CCC1(CC)O[C@H](C)C[C@H]1O 238229611 573973619 /nfs/dbraw/zinc/97/36/19/573973619.db2.gz UILULPYDHUCCOH-HTQZYQBOSA-N 0 0 158.241 1.715 10 0 ADAERN C[NH+](C)[C@@H]1CC[C@@](C)(C(=O)[O-])C1 107457999 573973631 /nfs/dbraw/zinc/97/36/31/573973631.db2.gz PQHAZKNNHJDUMV-VXNVDRBHSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)(C)CNc1nnns1 259255257 573973646 /nfs/dbraw/zinc/97/36/46/573973646.db2.gz YYIGEPRDOQSSFJ-UHFFFAOYSA-N 0 0 172.257 1.391 10 0 ADAERN CCCCCc1nn(C)c(=S)[nH]1 127811753 573973678 /nfs/dbraw/zinc/97/36/78/573973678.db2.gz CTUSSPMAINJMKF-UHFFFAOYSA-N 0 0 185.296 1.837 10 0 ADAERN C[C@H]1CC(C)(O)C[C@@H]1C 104395469 573973689 /nfs/dbraw/zinc/97/36/89/573973689.db2.gz LCBYBUZITFRHLW-BQBZGAKWSA-N 0 0 128.215 1.803 10 0 ADAERN CC[C@@H](C)COC(N)=O 81914609 573973690 /nfs/dbraw/zinc/97/36/90/573973690.db2.gz TVDAXWXGTHFBOO-RXMQYKEDSA-N 0 0 131.175 1.128 10 0 ADAERN NC(=O)c1csc(-c2cc[nH]c2)n1 259253945 573974607 /nfs/dbraw/zinc/97/46/07/573974607.db2.gz KMHICTCFKKBDBJ-UHFFFAOYSA-N 0 0 193.231 1.237 10 0 ADAERN CCC1(CC)O[C@@H](C)C[C@H]1O 238229304 573973716 /nfs/dbraw/zinc/97/37/16/573973716.db2.gz UILULPYDHUCCOH-JGVFFNPUSA-N 0 0 158.241 1.715 10 0 ADAERN CC[C@H]1CCC[C@]1(C)O 104395804 573973726 /nfs/dbraw/zinc/97/37/26/573973726.db2.gz JLXXWMMFKNHSEO-YUMQZZPRSA-N 0 0 128.215 1.948 10 0 ADAERN CCCCC(=S)NC(C)=O 238230043 573973728 /nfs/dbraw/zinc/97/37/28/573973728.db2.gz IMGLUWRRMZWTEH-UHFFFAOYSA-N 0 0 159.254 1.640 10 0 ADAERN O[C@H](Cc1ccsc1)c1cn[nH]n1 87599289 573973730 /nfs/dbraw/zinc/97/37/30/573973730.db2.gz RVJIZBUFAURVBM-MRVPVSSYSA-N 0 0 195.247 1.142 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]1([NH3+])C(=O)[O-] 104391648 573973772 /nfs/dbraw/zinc/97/37/72/573973772.db2.gz HWHURYCMIFVWFY-RCOVLWMOSA-N 0 0 171.240 1.225 10 0 ADAERN CC[C@H]1CCC[C@@]1(C)O 104395799 573973777 /nfs/dbraw/zinc/97/37/77/573973777.db2.gz JLXXWMMFKNHSEO-JGVFFNPUSA-N 0 0 128.215 1.948 10 0 ADAERN CCn1ccnc1-c1ccccn1 104387702 573973815 /nfs/dbraw/zinc/97/38/15/573973815.db2.gz KCKLYKPJDXASCF-UHFFFAOYSA-N 0 0 173.219 1.965 10 0 ADAERN CCCOC(=O)NC(F)(F)F 238229346 573973835 /nfs/dbraw/zinc/97/38/35/573973835.db2.gz QLKWXNVHRMLRSY-UHFFFAOYSA-N 0 0 171.118 1.642 10 0 ADAERN CO[C@@H](C)[C@@H](CC1CCCC1)NN 127823918 573973889 /nfs/dbraw/zinc/97/38/89/573973889.db2.gz IWKGEMZBGKKCQI-WCBMZHEXSA-N 0 0 186.299 1.434 10 0 ADAERN CCC(=O)C(=O)CC 104393243 573973896 /nfs/dbraw/zinc/97/38/96/573973896.db2.gz ZYXQFVIQXIIONQ-AATRIKPKSA-N 0 0 114.144 1.910 10 0 ADAERN CCCNC(=O)C(C)(C)Cl 238229775 573973907 /nfs/dbraw/zinc/97/39/07/573973907.db2.gz RBANWTQIFJMWCT-UHFFFAOYSA-N 0 0 163.648 1.530 10 0 ADAERN CCn1nc(C)c(NC)c1C 104395306 573973911 /nfs/dbraw/zinc/97/39/11/573973911.db2.gz HAPRDZFJHYOHSA-UHFFFAOYSA-N 0 0 153.229 1.562 10 0 ADAERN CC1=C[C@@H](O)C[C@@H](C)C1 81915553 573973919 /nfs/dbraw/zinc/97/39/19/573973919.db2.gz DJYRWBAIPZTBAJ-JGVFFNPUSA-N 0 0 126.199 1.724 10 0 ADAERN c1coc(NCC2CCC2)n1 104396779 573973933 /nfs/dbraw/zinc/97/39/33/573973933.db2.gz JGUQRCZGSOMXOZ-UHFFFAOYSA-N 0 0 152.197 1.887 10 0 ADAERN O[C@H](CC1CCC1)c1cn[nH]n1 87599403 573973935 /nfs/dbraw/zinc/97/39/35/573973935.db2.gz CESSATCBBVIZTB-MRVPVSSYSA-N 0 0 167.212 1.028 10 0 ADAERN CCC(=O)[C@@]1(C)OCCS1 238229125 573973953 /nfs/dbraw/zinc/97/39/53/573973953.db2.gz DMGQFVVIKIXVNN-ZETCQYMHSA-N 0 0 160.238 1.445 10 0 ADAERN C[N@@H+]1C[C@H](C(=O)[O-])CCC1(C)C 259588453 573973978 /nfs/dbraw/zinc/97/39/78/573973978.db2.gz ZWUBEDNTDBMXJL-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN Oc1cc(O)c(-c2ncc[nH]2)c(O)c1 104397306 573973993 /nfs/dbraw/zinc/97/39/93/573973993.db2.gz XCXPBNHJYXTDLR-UHFFFAOYSA-N 0 0 192.174 1.194 10 0 ADAERN CN[C@H](c1ccccc1)c1cn[nH]n1 87600577 573974034 /nfs/dbraw/zinc/97/40/34/573974034.db2.gz PPQKFJGTTVFPAI-SNVBAGLBSA-N 0 0 188.234 1.114 10 0 ADAERN C[C@@H](O)[C@@H]1C[C@@H]2C=C[C@H]1C2 81914260 573974092 /nfs/dbraw/zinc/97/40/92/573974092.db2.gz OVEARCWULHSQDS-HXFLIBJXSA-N 0 0 138.210 1.579 10 0 ADAERN CC[C@H](C)[S@](=O)C1=C(O)CCC1 81915327 573974112 /nfs/dbraw/zinc/97/41/12/573974112.db2.gz JYRXZHIRGFJXQZ-LPBBDHJYSA-N 0 0 188.292 1.655 10 0 ADAERN C[C@@H]1CCCC(C)(C)[C@]1([NH3+])C(=O)[O-] 104391605 573974117 /nfs/dbraw/zinc/97/41/17/573974117.db2.gz JBRGMPCLGVAIGY-GMSGAONNSA-N 0 0 185.267 1.615 10 0 ADAERN CC1(C)[C@H]2CC[C@]([NH3+])(C(=O)[O-])[C@@H]1C2 104396148 573974137 /nfs/dbraw/zinc/97/41/37/573974137.db2.gz NTLKXSATLZXPEK-NYNCVSEMSA-N 0 0 183.251 1.225 10 0 ADAERN CCC(=O)[C@@]1(CC)CCCO1 238229236 573974155 /nfs/dbraw/zinc/97/41/55/573974155.db2.gz SNNDUQWNZWKONI-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN CCCCNC(=O)NCl 238229951 573974160 /nfs/dbraw/zinc/97/41/60/573974160.db2.gz MVJSXIGASKRNKA-UHFFFAOYSA-N 0 0 150.609 1.240 10 0 ADAERN CC1(C)C(=N)NC(=O)C1(C)C 238229982 573974172 /nfs/dbraw/zinc/97/41/72/573974172.db2.gz KMNDNRFSQLFOJJ-UHFFFAOYSA-N 0 0 154.213 1.146 10 0 ADAERN COc1ccc2c(c1OC)[C@H]([NH3+])CC2 104396165 573974199 /nfs/dbraw/zinc/97/41/99/573974199.db2.gz QKUMSAFSQLOWMU-MRVPVSSYSA-N 0 0 193.246 1.650 10 0 ADAERN CCC(=O)[C@]1(C)C(=O)[C@H](C)[C@@H]1C 238229184 573974213 /nfs/dbraw/zinc/97/42/13/573974213.db2.gz DUEGOJAUOCYPRA-MATHAZKKSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ccc(CO)cc1O 81915557 573974219 /nfs/dbraw/zinc/97/42/19/573974219.db2.gz XGYCFBRLHVWRLV-UHFFFAOYSA-N 0 0 138.166 1.193 10 0 ADAERN CC(C)[C@H](CCO)C1OCCO1 238229526 573974224 /nfs/dbraw/zinc/97/42/24/573974224.db2.gz RLXOBTFCIRFGAQ-QMMMGPOBSA-N 0 0 174.240 1.014 10 0 ADAERN CCC1(CC)SC[NH2+][C@H]1C(=O)[O-] 238230017 573974273 /nfs/dbraw/zinc/97/42/73/573974273.db2.gz BNKXPADHWCQBPB-LURJTMIESA-N 0 0 189.280 1.292 10 0 ADAERN CC(=O)c1cnc(-c2cn[nH]n2)s1 87601290 573974282 /nfs/dbraw/zinc/97/42/82/573974282.db2.gz ICBFPTMQTGVQGU-UHFFFAOYSA-N 0 0 194.219 1.131 10 0 ADAERN Cc1cc([C@@H](N)c2cn[nH]n2)cs1 87599980 573974295 /nfs/dbraw/zinc/97/42/95/573974295.db2.gz CYZRMESFEWXNNX-MRVPVSSYSA-N 0 0 194.263 1.223 10 0 ADAERN CC1=CCCC(C)(C)[C@@]1(O)CCO 238229215 573974314 /nfs/dbraw/zinc/97/43/14/573974314.db2.gz FIWDXAOQJPKEIX-LLVKDONJSA-N 0 0 184.279 1.866 10 0 ADAERN CN[C@@H](c1ccsc1)c1cn[nH]n1 87600790 573974315 /nfs/dbraw/zinc/97/43/15/573974315.db2.gz NNUPKLXEDNZWBQ-QMMMGPOBSA-N 0 0 194.263 1.175 10 0 ADAERN O=Cc1cncn1-c1cccnc1 104398660 573974316 /nfs/dbraw/zinc/97/43/16/573974316.db2.gz RIEVKAJTWQQOPH-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN CC(C)c1cc(C=O)ccc(O)c1=O 238229221 573974320 /nfs/dbraw/zinc/97/43/20/573974320.db2.gz SAHYUSNZVADAJL-UHFFFAOYSA-N 0 0 192.214 1.688 10 0 ADAERN O[C@@H](CC1CCCCC1)c1cn[nH]n1 87599530 573974339 /nfs/dbraw/zinc/97/43/39/573974339.db2.gz PIORXRDSUDMYKO-JTQLQIEISA-N 0 0 195.266 1.809 10 0 ADAERN CCC1(CC)SCNC1=O 238229987 573974341 /nfs/dbraw/zinc/97/43/41/573974341.db2.gz LQBQNGQFQPKTLR-UHFFFAOYSA-N 0 0 159.254 1.366 10 0 ADAERN CCCCCOC(=O)NC 81914356 573974343 /nfs/dbraw/zinc/97/43/43/573974343.db2.gz JXYAKLVYRCADDZ-UHFFFAOYSA-N 0 0 145.202 1.533 10 0 ADAERN OCC1(c2ccc(F)cc2)OCCO1 104396687 573974359 /nfs/dbraw/zinc/97/43/59/573974359.db2.gz CSTYFSAPHMXLFO-UHFFFAOYSA-N 0 0 198.193 1.018 10 0 ADAERN C[C@H]1CCCC(C)(C)[C@@]1([NH3+])C(=O)[O-] 104391616 573974365 /nfs/dbraw/zinc/97/43/65/573974365.db2.gz JBRGMPCLGVAIGY-XVKPBYJWSA-N 0 0 185.267 1.615 10 0 ADAERN C/C=C/C=C(\C)CO 198621264 573974369 /nfs/dbraw/zinc/97/43/69/573974369.db2.gz QFTULYGLRMZVOD-BDWKERMESA-N 0 0 112.172 1.501 10 0 ADAERN CCc1nc(C)cn1C[C@H](O)C1CC1 715095329 573974399 /nfs/dbraw/zinc/97/43/99/573974399.db2.gz BXVKEGRLCONZFZ-JTQLQIEISA-N 0 0 194.278 1.525 10 0 ADAERN CCC1(CC)OCC[C@@H]1O 238228997 573974482 /nfs/dbraw/zinc/97/44/82/573974482.db2.gz BFADITMXMNEUOA-ZETCQYMHSA-N 0 0 144.214 1.326 10 0 ADAERN Oc1cccc(CF)c1 81915335 573974487 /nfs/dbraw/zinc/97/44/87/573974487.db2.gz LFSUOLATOYPNBS-UHFFFAOYSA-N 0 0 126.130 1.862 10 0 ADAERN CC/C=C/[C@@H](O)C1CC1 81914281 573974492 /nfs/dbraw/zinc/97/44/92/573974492.db2.gz WACDRJIIRHJKFD-MPJRPATESA-N 0 0 126.199 1.724 10 0 ADAERN CC[C@H](C)[S@](=O)[C@@H](C)C(C)=O 81914351 573974524 /nfs/dbraw/zinc/97/45/24/573974524.db2.gz MDFJSQASGSOQBX-GEOGLEFRSA-N 0 0 176.281 1.511 10 0 ADAERN C[NH2+][C@@H](c1cnn[n-]1)C1CCCCC1 87600827 573974538 /nfs/dbraw/zinc/97/45/38/573974538.db2.gz KWWPUNTVXHNIFO-SNVBAGLBSA-N 0 0 194.282 1.646 10 0 ADAERN CCC(=O)[C@@]1(Cl)O[C@@H]1C(C)C 238229314 573974691 /nfs/dbraw/zinc/97/46/91/573974691.db2.gz ACMXWLNZNKVULO-HTQZYQBOSA-N 0 0 176.643 1.955 10 0 ADAERN CO[C@H](C)[C@@H](CC1CCCC1)NN 127824172 573974549 /nfs/dbraw/zinc/97/45/49/573974549.db2.gz IWKGEMZBGKKCQI-PSASIEDQSA-N 0 0 186.299 1.434 10 0 ADAERN CN1CCCC[C@H]1c1coc(CO)n1 258192714 573974562 /nfs/dbraw/zinc/97/45/62/573974562.db2.gz WCRSJFOPCIYUSP-VIFPVBQESA-N 0 0 196.250 1.324 10 0 ADAERN FC(F)(F)CNc1cc[nH]c1 259031594 573977385 /nfs/dbraw/zinc/97/73/85/573977385.db2.gz IAZCRHWERWSDNX-UHFFFAOYSA-N 0 0 164.130 1.989 10 0 ADAERN CCc1nc(C)cn1C[C@@H](O)C1CC1 715095336 573975571 /nfs/dbraw/zinc/97/55/71/573975571.db2.gz BXVKEGRLCONZFZ-SNVBAGLBSA-N 0 0 194.278 1.525 10 0 ADAERN Cc1ccsc1[C@H](N)c1cn[nH]n1 87600327 573975572 /nfs/dbraw/zinc/97/55/72/573975572.db2.gz MGUHUMNPSBOHBV-SSDOTTSWSA-N 0 0 194.263 1.223 10 0 ADAERN CCc1nc(Cl)c(C)[nH]1 81915423 573975528 /nfs/dbraw/zinc/97/55/28/573975528.db2.gz SRUUFKJQSFBPMK-UHFFFAOYSA-N 0 0 144.605 1.934 10 0 ADAERN CCC1(CC)OCC[C@H]1O 238229019 573975465 /nfs/dbraw/zinc/97/54/65/573975465.db2.gz BFADITMXMNEUOA-SSDOTTSWSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1ccc([C@@H](N)c2cn[nH]n2)s1 87600401 573975500 /nfs/dbraw/zinc/97/55/00/573975500.db2.gz VDQIAEOQWUGHBK-QMMMGPOBSA-N 0 0 194.263 1.223 10 0 ADAERN CC(C)(O)[C@H]1CNc2ccc(O)cc21 258193932 573977323 /nfs/dbraw/zinc/97/73/23/573977323.db2.gz UDYAEBWLFURYPD-VIFPVBQESA-N 0 0 193.246 1.672 10 0 ADAERN CC1(C)CCO[C@](C)(CC(N)=O)C1 238220695 573977409 /nfs/dbraw/zinc/97/74/09/573977409.db2.gz GZRHNXXVUFQZNN-SNVBAGLBSA-N 0 0 185.267 1.457 10 0 ADAERN CCC(=O)C[S@@](=O)C(C)(C)C 81916009 573977426 /nfs/dbraw/zinc/97/74/26/573977426.db2.gz GTYIPYWTBSAVMR-NSHDSACASA-N 0 0 176.281 1.513 10 0 ADAERN CCCC(=O)C[S@@](=O)CC 81915759 573977432 /nfs/dbraw/zinc/97/74/32/573977432.db2.gz KUZWRIQEVXSJRE-SNVBAGLBSA-N 0 0 162.254 1.124 10 0 ADAERN Cc1n[nH]c(C)c1[C@H]1NCCS1 87602505 573977455 /nfs/dbraw/zinc/97/74/55/573977455.db2.gz DMUDHPIEAMFAIG-QMMMGPOBSA-N 0 0 183.280 1.362 10 0 ADAERN Cn1ccnc1-c1cncs1 104400269 573977456 /nfs/dbraw/zinc/97/74/56/573977456.db2.gz QTPKDPXWJYFKPJ-UHFFFAOYSA-N 0 0 165.221 1.544 10 0 ADAERN OCCc1nc(Cl)c2ccccn12 258194182 573977466 /nfs/dbraw/zinc/97/74/66/573977466.db2.gz JBZWFQCFJHEBFZ-UHFFFAOYSA-N 0 0 196.637 1.523 10 0 ADAERN Cc1c(F)cc([C@H](C)[NH3+])cc1C(=O)[O-] 258194299 573977482 /nfs/dbraw/zinc/97/74/82/573977482.db2.gz XRNRESRSXISFTC-LURJTMIESA-N 0 0 197.209 1.852 10 0 ADAERN CC(C)[C@H](O)c1cccccc1=O 238220912 573977520 /nfs/dbraw/zinc/97/75/20/573977520.db2.gz SJZYZDQEZWFOJQ-NSHDSACASA-N 0 0 178.231 1.736 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccc[nH]1 259254544 573977362 /nfs/dbraw/zinc/97/73/62/573977362.db2.gz GOHYZAFWQKVRFQ-RKDXNWHRSA-N 0 0 196.250 1.371 10 0 ADAERN COC(OC)[C@@]1(C)NCCCS1 87603564 573977309 /nfs/dbraw/zinc/97/73/09/573977309.db2.gz UBKZSJLYPNPXEA-QMMMGPOBSA-N 0 0 191.296 1.048 10 0 ADAERN O=C([O-])/C(F)=C1/CC[N@@H+]2CCC[C@@H]12 123283110 573977214 /nfs/dbraw/zinc/97/72/14/573977214.db2.gz YOMSXKZQJFQDGQ-DGUDBNDOSA-N 0 0 185.198 1.163 10 0 ADAERN CC(C)C[S@@](=O)C1=C(O)CCC1 81917407 573977230 /nfs/dbraw/zinc/97/72/30/573977230.db2.gz VJTPHLJDONQSRL-CABZTGNLSA-N 0 0 188.292 1.513 10 0 ADAERN Cc1nn(C)c(C)c1[C@H]1NCCS1 87602462 573977253 /nfs/dbraw/zinc/97/72/53/573977253.db2.gz ICHWGBNYWTVQTK-VIFPVBQESA-N 0 0 197.307 1.372 10 0 ADAERN CCC[S@](=O)C1=C(O)CCC1 81916174 573977524 /nfs/dbraw/zinc/97/75/24/573977524.db2.gz LCBGDSZFBHCWIG-LDYMZIIASA-N 0 0 174.265 1.267 10 0 ADAERN O=C([O-])/C(F)=C1/CC[N@@H+]2CCC[C@H]12 123282849 573977526 /nfs/dbraw/zinc/97/75/26/573977526.db2.gz YOMSXKZQJFQDGQ-UQBZRGDZSA-N 0 0 185.198 1.163 10 0 ADAERN Cc1n[nH]c(C)c1[C@H]1N[C@@H](C)CS1 87603525 573977532 /nfs/dbraw/zinc/97/75/32/573977532.db2.gz GQSFBOQNDNMCBY-CDUCUWFYSA-N 0 0 197.307 1.750 10 0 ADAERN CC(C)[S@@](=O)[C@@H]1CCCCC1=O 81918755 573977566 /nfs/dbraw/zinc/97/75/66/573977566.db2.gz JNWPMSGDEHNGKB-SKDRFNHKSA-N 0 0 188.292 1.655 10 0 ADAERN CC(=O)[C@@H](C)[S@@](=O)C(C)(C)C 81915834 573977572 /nfs/dbraw/zinc/97/75/72/573977572.db2.gz HMOWHAFHMBZYJR-HQJQHLMTSA-N 0 0 176.281 1.511 10 0 ADAERN OCCc1cnc([C@@H]2CCOC2)s1 258193708 573977590 /nfs/dbraw/zinc/97/75/90/573977590.db2.gz SSHQBUVTVDDVFY-SSDOTTSWSA-N 0 0 199.275 1.182 10 0 ADAERN CC1(C)CC[C@H]2CC(=O)N[C@]21C 238220516 573977608 /nfs/dbraw/zinc/97/76/08/573977608.db2.gz FVODVBZJEGFCQE-OIBJUYFYSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1n[nH]c(C)c1[C@H]1NC[C@@H](C)S1 87603010 573977610 /nfs/dbraw/zinc/97/76/10/573977610.db2.gz IRRKSIHTMPKVEM-ANLVUFKYSA-N 0 0 197.307 1.750 10 0 ADAERN CC1(C)CCO[C@@](C)(CCO)C1 238220619 573977643 /nfs/dbraw/zinc/97/76/43/573977643.db2.gz LRJBPKQLUCQTLZ-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CC1(C)CC[C@H]2NC(=O)O[C@@H]2C1 238220703 573977665 /nfs/dbraw/zinc/97/76/65/573977665.db2.gz QTOFQEQUFMJHGY-RNFRBKRXSA-N 0 0 169.224 1.674 10 0 ADAERN CC1(C)CC[C@]2(CO[C@@H](O)C2)O1 238221375 573977669 /nfs/dbraw/zinc/97/76/69/573977669.db2.gz UMDYMSLLYMQDDJ-APPZFPTMSA-N 0 0 172.224 1.053 10 0 ADAERN CC1(C)CCc2ccc(CO)nc21 238222093 573977674 /nfs/dbraw/zinc/97/76/74/573977674.db2.gz QCNODLTXLMFXJN-UHFFFAOYSA-N 0 0 177.247 1.798 10 0 ADAERN CC(C)(C)[C@@](C)(O)CCO 81952281 573977675 /nfs/dbraw/zinc/97/76/75/573977675.db2.gz QGFMKANITOYJSA-QMMMGPOBSA-N 0 0 146.230 1.166 10 0 ADAERN CCCC[S@](=O)CC(C)=O 81917992 573977733 /nfs/dbraw/zinc/97/77/33/573977733.db2.gz YHNGEQOMJIKEOY-SNVBAGLBSA-N 0 0 162.254 1.124 10 0 ADAERN CCC1(C)CC(=O)C(C)C(=O)C1 238221853 573977742 /nfs/dbraw/zinc/97/77/42/573977742.db2.gz BNBGSKWHACXSFU-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN CCNc1ncco1 104401710 573977768 /nfs/dbraw/zinc/97/77/68/573977768.db2.gz JSPGHUXUUDIWMU-UHFFFAOYSA-N 0 0 112.132 1.106 10 0 ADAERN CC(C)[N@H+](CC1CC1)[C@H](C)CC(=O)[O-] 42585915 573977772 /nfs/dbraw/zinc/97/77/72/573977772.db2.gz YZDNOXKCCNVUMF-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN OCc1cccc(-c2ncc[nH]2)c1 104400982 573977777 /nfs/dbraw/zinc/97/77/77/573977777.db2.gz BCQLHFRVOZIASG-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN CC(=O)C[S@@](=O)C(C)(C)C 81915869 573977780 /nfs/dbraw/zinc/97/77/80/573977780.db2.gz UCNMPDVFPZZSDS-JTQLQIEISA-N 0 0 162.254 1.123 10 0 ADAERN CCC1(CC)C(N)=NN=C1Cl 238223860 573980519 /nfs/dbraw/zinc/98/05/19/573980519.db2.gz JHWLYGBMBVZECC-UHFFFAOYSA-N 0 0 173.647 1.716 10 0 ADAERN Nc1cccc(N)c1-c1ncc[nH]1 104401668 573979354 /nfs/dbraw/zinc/97/93/54/573979354.db2.gz UYNHLDWYZQOXHG-UHFFFAOYSA-N 0 0 174.207 1.241 10 0 ADAERN CCCC(=[NH2+])SCC(=O)[O-] 238224015 573979382 /nfs/dbraw/zinc/97/93/82/573979382.db2.gz HFFDROFEYWVMSX-UHFFFAOYSA-N 0 0 161.226 1.582 10 0 ADAERN CCOC(=O)c1cncn1C1CC1 259588743 573978754 /nfs/dbraw/zinc/97/87/54/573978754.db2.gz LCGMPQWMGFFRKL-UHFFFAOYSA-N 0 0 180.207 1.395 10 0 ADAERN CC1(C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@H]1C2 238220420 573978757 /nfs/dbraw/zinc/97/87/57/573978757.db2.gz LIUOABWRWKJAEB-GHCJXIJMSA-N 0 0 168.236 1.182 10 0 ADAERN COCc1ccc2c(c1)oc(=O)n2C 259588867 573978770 /nfs/dbraw/zinc/97/87/70/573978770.db2.gz ZQTATJLSZBAKQO-UHFFFAOYSA-N 0 0 193.202 1.278 10 0 ADAERN CC(=O)[C@H](C)[S@@](=O)C(C)(C)C 81915833 573978773 /nfs/dbraw/zinc/97/87/73/573978773.db2.gz HMOWHAFHMBZYJR-CPCISQLKSA-N 0 0 176.281 1.511 10 0 ADAERN CCCCOC(=S)NC(C)=O 238221556 573978778 /nfs/dbraw/zinc/97/87/78/573978778.db2.gz XOICROKFDISHJI-UHFFFAOYSA-N 0 0 175.253 1.224 10 0 ADAERN CC1(C)CCc2[nH]cnc2C1 238221503 573978798 /nfs/dbraw/zinc/97/87/98/573978798.db2.gz IYVQDEHNTVOWEN-UHFFFAOYSA-N 0 0 150.225 1.925 10 0 ADAERN OCc1cc(-c2ccc(O)cc2)on1 259256224 573978805 /nfs/dbraw/zinc/97/88/05/573978805.db2.gz OCWPCMRKFXVFKI-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN C[C@H]1c2cc(O)ccc2CC[C@@H]1O 259257113 573978844 /nfs/dbraw/zinc/97/88/44/573978844.db2.gz LJBIQXJSQUYQDH-CPCISQLKSA-N 0 0 178.231 1.803 10 0 ADAERN NN[C@H](COC1CC1)CC1CCC1 716891823 573978850 /nfs/dbraw/zinc/97/88/50/573978850.db2.gz DJGRZSPWCFFTNW-VIFPVBQESA-N 0 0 184.283 1.188 10 0 ADAERN CC[C@@H](C)CCC(N)=O 81956298 573978869 /nfs/dbraw/zinc/97/88/69/573978869.db2.gz CFGXZAUJIGCQSD-ZCFIWIBFSA-N 0 0 129.203 1.298 10 0 ADAERN CC(C)(O)[C@@H]1CNc2ccc(O)cc21 258193928 573978879 /nfs/dbraw/zinc/97/88/79/573978879.db2.gz UDYAEBWLFURYPD-SECBINFHSA-N 0 0 193.246 1.672 10 0 ADAERN CC(C)[S@](=O)C1=C(O)CCC1 81918762 573978888 /nfs/dbraw/zinc/97/88/88/573978888.db2.gz GVGOLHHPEWBZQH-GZMMTYOYSA-N 0 0 174.265 1.265 10 0 ADAERN Oc1cc(F)ccc1-c1c[nH]cn1 104399686 573978940 /nfs/dbraw/zinc/97/89/40/573978940.db2.gz HKKNMYAGLNFTKF-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN CC(=O)C[S@@](=O)C1CCCC1 81919283 573978945 /nfs/dbraw/zinc/97/89/45/573978945.db2.gz DBUMFYQJVGQSMR-NSHDSACASA-N 0 0 174.265 1.267 10 0 ADAERN CCC[C@@H]1O[C@H]2CCCC[C@@H]2NC1=O 238221843 573978991 /nfs/dbraw/zinc/97/89/91/573978991.db2.gz RYTAZTRYVWFMDY-GUBZILKMSA-N 0 0 197.278 1.613 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)ncn2C 258194255 573979026 /nfs/dbraw/zinc/97/90/26/573979026.db2.gz XQRAJRHMRLHCRF-QMMMGPOBSA-N 0 0 190.246 1.669 10 0 ADAERN OC1(c2ccc3nnsc3c2)CC1 258194207 573979055 /nfs/dbraw/zinc/97/90/55/573979055.db2.gz XQCDDQPXMOZGIH-UHFFFAOYSA-N 0 0 192.243 1.673 10 0 ADAERN Cc1ccc(-c2cnoc2N)cc1O 258194311 573979079 /nfs/dbraw/zinc/97/90/79/573979079.db2.gz XRTOYRNJKNCUES-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN Oc1ccc(-c2ncc[nH]2)cc1F 104400335 573979084 /nfs/dbraw/zinc/97/90/84/573979084.db2.gz WEKOWEJAFWNWBF-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN CC(=O)[C@@H](C)[S@](=O)CC(C)C 81917265 573979091 /nfs/dbraw/zinc/97/90/91/573979091.db2.gz JWXMTJUZMCPTTQ-KCJUWKMLSA-N 0 0 176.281 1.369 10 0 ADAERN COC(=O)[C@](N)(Cl)c1ccccc1 104400125 573979093 /nfs/dbraw/zinc/97/90/93/573979093.db2.gz NQZRQLWYMBTSOX-VIFPVBQESA-N 0 0 199.637 1.210 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](CO)[C@H]2C 107458976 573979095 /nfs/dbraw/zinc/97/90/95/573979095.db2.gz ZFNSHVFNEIOPRX-KWQFWETISA-N 0 0 177.247 1.885 10 0 ADAERN CC(C)[S@](=O)[C@@H]1CCCCC1=O 81918756 573979117 /nfs/dbraw/zinc/97/91/17/573979117.db2.gz JNWPMSGDEHNGKB-BXKDBHETSA-N 0 0 188.292 1.655 10 0 ADAERN OCc1coc(C[C@@H]2CCCS2)n1 258193782 573979476 /nfs/dbraw/zinc/97/94/76/573979476.db2.gz SSQNDMMQKQALHP-QMMMGPOBSA-N 0 0 199.275 1.605 10 0 ADAERN OCc1coc(C[C@H]2CCCS2)n1 258193777 573979182 /nfs/dbraw/zinc/97/91/82/573979182.db2.gz SSQNDMMQKQALHP-MRVPVSSYSA-N 0 0 199.275 1.605 10 0 ADAERN CCc1cccc([C@@](C)([NH3+])C(=O)[O-])c1 104399879 573979186 /nfs/dbraw/zinc/97/91/86/573979186.db2.gz TXLQHNZQSFATQA-LLVKDONJSA-N 0 0 193.246 1.508 10 0 ADAERN COc1ccc(CNO)cc1CF 258194369 573979208 /nfs/dbraw/zinc/97/92/08/573979208.db2.gz XSQBHWSYTGYHAS-UHFFFAOYSA-N 0 0 185.198 1.644 10 0 ADAERN CC(=O)O[C@H]1C=CO[C@H](C)[C@H]1F 104403255 573979212 /nfs/dbraw/zinc/97/92/12/573979212.db2.gz MNTYGSPKKXPHSY-MHSYXAOVSA-N 0 0 174.171 1.189 10 0 ADAERN Cc1cc(-c2cccc(=O)[nH]2)ccn1 235864594 573979213 /nfs/dbraw/zinc/97/92/13/573979213.db2.gz RZHYZUNBIVSIJO-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H]1NCCS1 87602504 573979217 /nfs/dbraw/zinc/97/92/17/573979217.db2.gz DMUDHPIEAMFAIG-MRVPVSSYSA-N 0 0 183.280 1.362 10 0 ADAERN Nc1cc(N)cc(-c2ncc[nH]2)c1 104401670 573979220 /nfs/dbraw/zinc/97/92/20/573979220.db2.gz WPMRDBIPTXCWBQ-UHFFFAOYSA-N 0 0 174.207 1.241 10 0 ADAERN CC(=O)C[C@@H]([NH3+])c1ccccc1F 259256950 573979235 /nfs/dbraw/zinc/97/92/35/573979235.db2.gz GRQYLHCTGZKBDE-SNVBAGLBSA-N 0 0 181.210 1.805 10 0 ADAERN Oc1cc(O)cc(-c2ncc[nH]2)c1 104401665 573979237 /nfs/dbraw/zinc/97/92/37/573979237.db2.gz VPCVUFVMBJQACT-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN CC(C)[S@](=O)CC(=O)C1CC1 81918740 573979250 /nfs/dbraw/zinc/97/92/50/573979250.db2.gz PXHPUYHWPXUMAG-NSHDSACASA-N 0 0 174.265 1.123 10 0 ADAERN Cc1cc(-c2nncn2C)c(N)s1 110778426 573979257 /nfs/dbraw/zinc/97/92/57/573979257.db2.gz HYEAOTMLAZZDGP-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN C[C@@H]1c2cc(O)ccc2CC[C@@H]1O 259257118 573979262 /nfs/dbraw/zinc/97/92/62/573979262.db2.gz LJBIQXJSQUYQDH-HQJQHLMTSA-N 0 0 178.231 1.803 10 0 ADAERN CCC[S@@](=O)[C@H]1CCCCC1=O 81916171 573979268 /nfs/dbraw/zinc/97/92/68/573979268.db2.gz NNCKCRLOJDLIKI-CABZTGNLSA-N 0 0 188.292 1.657 10 0 ADAERN Cc1nn(C)c(C)c1[C@@H]1NCCS1 87602461 573979269 /nfs/dbraw/zinc/97/92/69/573979269.db2.gz ICHWGBNYWTVQTK-SECBINFHSA-N 0 0 197.307 1.372 10 0 ADAERN CC(=O)[C@H](C)[S@](=O)C(C)C 81918629 573979282 /nfs/dbraw/zinc/97/92/82/573979282.db2.gz RPERQWIVQMNWPI-XVKPBYJWSA-N 0 0 162.254 1.121 10 0 ADAERN CC(C)CC(=O)c1c[nH]cn1 104401393 573979285 /nfs/dbraw/zinc/97/92/85/573979285.db2.gz UDSXNPFGHVKGLS-UHFFFAOYSA-N 0 0 152.197 1.639 10 0 ADAERN Oc1c(C2(O)CC2)ccc2[nH]ccc12 258194235 573979286 /nfs/dbraw/zinc/97/92/86/573979286.db2.gz XQOLBPGINRZDME-UHFFFAOYSA-N 0 0 189.214 1.855 10 0 ADAERN OCCc1cnc([C@H]2CCOC2)s1 258193713 573979292 /nfs/dbraw/zinc/97/92/92/573979292.db2.gz SSHQBUVTVDDVFY-ZETCQYMHSA-N 0 0 199.275 1.182 10 0 ADAERN CCC[S@@](=O)[C@@H]1CCCCC1=O 81916169 573979308 /nfs/dbraw/zinc/97/93/08/573979308.db2.gz NNCKCRLOJDLIKI-SKDRFNHKSA-N 0 0 188.292 1.657 10 0 ADAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@]1([NH3+])C(=O)[O-] 104401473 573979311 /nfs/dbraw/zinc/97/93/11/573979311.db2.gz WUBBLPSXFGSIIA-XROYCOCOSA-N 0 0 197.278 1.615 10 0 ADAERN CC(=O)CC[S@](=O)C(C)(C)C 81915828 573979328 /nfs/dbraw/zinc/97/93/28/573979328.db2.gz UCKICQDOQZJVCV-LLVKDONJSA-N 0 0 176.281 1.513 10 0 ADAERN CC(C)[C@H](O)c1c[nH]cn1 104401648 573979329 /nfs/dbraw/zinc/97/93/29/573979329.db2.gz ITXSXCIPTKRWSO-ZETCQYMHSA-N 0 0 140.186 1.099 10 0 ADAERN Cc1ccc(C)c2c1NC[C@H]2CO 107459048 573979331 /nfs/dbraw/zinc/97/93/31/573979331.db2.gz VWOXCVUQUQHZCA-VIFPVBQESA-N 0 0 177.247 1.805 10 0 ADAERN CO[C@H](C)CC(=O)Cc1cncs1 127960740 573979340 /nfs/dbraw/zinc/97/93/40/573979340.db2.gz JVFHKDBWKODAEB-SSDOTTSWSA-N 0 0 199.275 1.680 10 0 ADAERN Cc1c(-c2cccc(N)n2)cnn1C 85112269 573979478 /nfs/dbraw/zinc/97/94/78/573979478.db2.gz YFQUWTKEPDETKZ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN COC(=O)[C@H](O)c1cccc(CF)c1 258194219 573979459 /nfs/dbraw/zinc/97/94/59/573979459.db2.gz XQGFJKRRYRZQSS-SECBINFHSA-N 0 0 198.193 1.363 10 0 ADAERN CCOC(C[S@@](=O)CC)OCC 81915633 573979422 /nfs/dbraw/zinc/97/94/22/573979422.db2.gz MKTMJAIIIQQXPV-GFCCVEGCSA-N 0 0 194.296 1.154 10 0 ADAERN CC[C@H](C)[C@H](O)c1c[nH]cn1 104401401 573979446 /nfs/dbraw/zinc/97/94/46/573979446.db2.gz POTZHSFOYCZEMF-XPUUQOCRSA-N 0 0 154.213 1.489 10 0 ADAERN Oc1ccccc1[C@H]1C[C@@H]1O 259257016 573981018 /nfs/dbraw/zinc/98/10/18/573981018.db2.gz LHUGEPKPKXRQGA-APPZFPTMSA-N 0 0 150.177 1.240 10 0 ADAERN CC1=CC(C)(C)C(CO)(CO)CC1 238223531 573981035 /nfs/dbraw/zinc/98/10/35/573981035.db2.gz OHVSDQCHLHCJAZ-UHFFFAOYSA-N 0 0 184.279 1.724 10 0 ADAERN CC(C)[C@@H](C(N)=O)[C@@H]1C=CCC1 238224189 573981027 /nfs/dbraw/zinc/98/10/27/573981027.db2.gz OLGWTEWOECECAT-RKDXNWHRSA-N 0 0 167.252 1.710 10 0 ADAERN CC1(C)CC[C@@H](CC(N)=O)[C@]1(C)O 238223181 573981071 /nfs/dbraw/zinc/98/10/71/573981071.db2.gz OEVRIHGYSLSJLJ-XVKPBYJWSA-N 0 0 185.267 1.049 10 0 ADAERN COc1ccc(CCO)cc1CF 258194462 573981072 /nfs/dbraw/zinc/98/10/72/573981072.db2.gz XUNANDILNJXBFN-UHFFFAOYSA-N 0 0 184.210 1.700 10 0 ADAERN CCC1(CC)C(=O)NC(=O)C(C)C1=O 238223893 573981074 /nfs/dbraw/zinc/98/10/74/573981074.db2.gz PWDNMNFNKCGQJB-UHFFFAOYSA-N 0 0 197.234 1.281 10 0 ADAERN CCC1(CC)C(=O)N[C@H](C)[C@H](C)C1=O 238223601 573981156 /nfs/dbraw/zinc/98/11/56/573981156.db2.gz PJWDFPYMEKROMG-JGVFFNPUSA-N 0 0 197.278 1.516 10 0 ADAERN Cc1nc(=N)n(C)c(C)c1C(C)C 238223386 573980405 /nfs/dbraw/zinc/98/04/05/573980405.db2.gz LKQVPJGLEMSZGA-UHFFFAOYSA-N 0 0 179.267 1.690 10 0 ADAERN CC(C)[S@](=O)C1=C(O)CCC1 81918760 573980416 /nfs/dbraw/zinc/98/04/16/573980416.db2.gz GVGOLHHPEWBZQH-LDYMZIIASA-N 0 0 174.265 1.265 10 0 ADAERN CC1=CC(C)(C)CNC(=O)C1 238223868 573980418 /nfs/dbraw/zinc/98/04/18/573980418.db2.gz KYKISHZLNQDRBY-UHFFFAOYSA-N 0 0 153.225 1.962 10 0 ADAERN CC1(C)[C@H]2C=CC[C@@H]2[C@H]1O 238223627 573980424 /nfs/dbraw/zinc/98/04/24/573980424.db2.gz WVKVXQSNYVPRSV-BIIVOSGPSA-N 0 0 138.210 1.579 10 0 ADAERN CC(=O)[C@@H](C)[S@@](=O)C(C)C 81918632 573980443 /nfs/dbraw/zinc/98/04/43/573980443.db2.gz RPERQWIVQMNWPI-GMSGAONNSA-N 0 0 162.254 1.121 10 0 ADAERN CC[C@H](C)C(=O)c1c[nH]cn1 104401387 573980448 /nfs/dbraw/zinc/98/04/48/573980448.db2.gz WDVBJJHLJZQNGX-LURJTMIESA-N 0 0 152.197 1.639 10 0 ADAERN Cc1c(-c2ccc(N)cc2)cnn1C 85112214 573981269 /nfs/dbraw/zinc/98/12/69/573981269.db2.gz YOHSFUNASAIMDU-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCCCC(=O)CC(N)=S 238223007 573980472 /nfs/dbraw/zinc/98/04/72/573980472.db2.gz WPKDJGOMGWZBBH-UHFFFAOYSA-N 0 0 159.254 1.422 10 0 ADAERN Cc1cc(-c2nc[nH]n2)c(N)s1 110778421 573980474 /nfs/dbraw/zinc/98/04/74/573980474.db2.gz GZZJFUKLDHPLQT-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Cc1c[nH]c(-c2nc(C)c[nH]2)n1 104401923 573980476 /nfs/dbraw/zinc/98/04/76/573980476.db2.gz AGLVNVVWLBHLEB-UHFFFAOYSA-N 0 0 162.196 1.417 10 0 ADAERN CC[S@@](=O)CCCC(C)=O 81915727 573980479 /nfs/dbraw/zinc/98/04/79/573980479.db2.gz DSDMNZVSHTYFKQ-JTQLQIEISA-N 0 0 162.254 1.124 10 0 ADAERN CSc1cc(C2CC2)nc(N)n1 107459911 573980520 /nfs/dbraw/zinc/98/05/20/573980520.db2.gz KJCNQMPIOALTDG-UHFFFAOYSA-N 0 0 181.264 1.658 10 0 ADAERN CCCc1nnc(=O)[nH]c1CCC 238224184 573980502 /nfs/dbraw/zinc/98/05/02/573980502.db2.gz AGSMVSCIUIZBHQ-FNORWQNLSA-N 0 0 181.239 1.749 10 0 ADAERN CCCc1coc(CO)cc1=O 238223966 573980524 /nfs/dbraw/zinc/98/05/24/573980524.db2.gz BOWSVPPNZNRCQH-UHFFFAOYSA-N 0 0 168.192 1.085 10 0 ADAERN Oc1ccccc1[C@@H]1C[C@H]1O 259257019 573980562 /nfs/dbraw/zinc/98/05/62/573980562.db2.gz LHUGEPKPKXRQGA-IONNQARKSA-N 0 0 150.177 1.240 10 0 ADAERN NN[C@@H](COC1CC1)CC1CCC1 716891816 573980567 /nfs/dbraw/zinc/98/05/67/573980567.db2.gz DJGRZSPWCFFTNW-SECBINFHSA-N 0 0 184.283 1.188 10 0 ADAERN CCn1[nH]c(=O)cc1C1CC1 258463687 573980570 /nfs/dbraw/zinc/98/05/70/573980570.db2.gz HJMMBGIKOJSGJK-UHFFFAOYSA-N 0 0 152.197 1.486 10 0 ADAERN CC1(C)CCS[C@@H](CC(=O)[O-])[NH2+]1 238222628 573980619 /nfs/dbraw/zinc/98/06/19/573980619.db2.gz ITXPOEHRTABQPY-LURJTMIESA-N 0 0 189.280 1.292 10 0 ADAERN CC1=CC(Br)=CCN1O 238223194 573980632 /nfs/dbraw/zinc/98/06/32/573980632.db2.gz WHEKVGGPWICICQ-UHFFFAOYSA-N 0 0 190.040 1.874 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@H+](CC1CC1)C(C)C 42585952 573980672 /nfs/dbraw/zinc/98/06/72/573980672.db2.gz MMYLHGUMDWGTDU-JTQLQIEISA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1C[C@@](C[NH3+])(CC(=O)[O-])CC[C@H]1C 85113932 573980675 /nfs/dbraw/zinc/98/06/75/573980675.db2.gz HYCPYEKTQJGIMQ-WCABBAIRSA-N 0 0 199.294 1.862 10 0 ADAERN CC1(C)CC[C@@H](CO)[C@](C)(O)C1 238223605 573980678 /nfs/dbraw/zinc/98/06/78/573980678.db2.gz HLJYIDBXFLHPRI-WCBMZHEXSA-N 0 0 172.268 1.556 10 0 ADAERN C[NH2+][C@@H](CCC(C)=O)c1ccccn1 259256207 573980695 /nfs/dbraw/zinc/98/06/95/573980695.db2.gz HKNSEPFCTXLEJD-JTQLQIEISA-N 0 0 192.262 1.711 10 0 ADAERN CCCc1cnc(C=O)cn1 238223417 573980697 /nfs/dbraw/zinc/98/06/97/573980697.db2.gz FNGWGENOWGCOGU-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN COc1c(F)c(F)cc(CO)c1F 104401006 573980742 /nfs/dbraw/zinc/98/07/42/573980742.db2.gz GQHZHNFJOJOLIT-UHFFFAOYSA-N 0 0 192.136 1.605 10 0 ADAERN CC1(C)c2ccccc2OC[C@H]1O 238223542 573980749 /nfs/dbraw/zinc/98/07/49/573980749.db2.gz HBCBACAMIKUTJH-SNVBAGLBSA-N 0 0 178.231 1.718 10 0 ADAERN Oc1ccccc1[C@H]1C[C@H]1O 259257021 573980752 /nfs/dbraw/zinc/98/07/52/573980752.db2.gz LHUGEPKPKXRQGA-VXNVDRBHSA-N 0 0 150.177 1.240 10 0 ADAERN CC1(C)CCS[C@H](CC(=O)[O-])[NH2+]1 238222671 573980763 /nfs/dbraw/zinc/98/07/63/573980763.db2.gz ITXPOEHRTABQPY-ZCFIWIBFSA-N 0 0 189.280 1.292 10 0 ADAERN OCc1noc(-c2cccc(F)c2)n1 104399777 573980771 /nfs/dbraw/zinc/98/07/71/573980771.db2.gz KMYGZLIQWWHHPZ-UHFFFAOYSA-N 0 0 194.165 1.368 10 0 ADAERN CCC1(CC)C(=O)C[C@@H](C)NC1=O 238222987 573980772 /nfs/dbraw/zinc/98/07/72/573980772.db2.gz NGAZPWBVSTWDJM-SSDOTTSWSA-N 0 0 183.251 1.270 10 0 ADAERN CC1(C)C(=O)c2ccccc2O[C@H]1O 238223608 573980776 /nfs/dbraw/zinc/98/07/76/573980776.db2.gz WOXXWKRTAMIRSX-SNVBAGLBSA-N 0 0 192.214 1.606 10 0 ADAERN CC1=CC(C)(C)CNC(=O)C1 238223852 573980795 /nfs/dbraw/zinc/98/07/95/573980795.db2.gz KZFLWEUZSVEAFV-UHFFFAOYSA-N 0 0 153.225 1.479 10 0 ADAERN CCCCC(=O)C[S@](C)=O 238224001 573980810 /nfs/dbraw/zinc/98/08/10/573980810.db2.gz JURVMGVPLLXEMN-JTQLQIEISA-N 0 0 162.254 1.124 10 0 ADAERN C=C/C=C\CC[C@@H](COC1CC1)NN 716890791 573980811 /nfs/dbraw/zinc/98/08/11/573980811.db2.gz CAKYVRNJABKVMS-XOULXFPDSA-N 0 0 196.294 1.520 10 0 ADAERN CCC[C@](C)(C[NH3+])CC(=O)[O-] 85113733 573980813 /nfs/dbraw/zinc/98/08/13/573980813.db2.gz FGNJADJQRMFVCR-QMMMGPOBSA-N 0 0 159.229 1.226 10 0 ADAERN CCCc1ccn2c1CC(=O)CC2 238222723 573980835 /nfs/dbraw/zinc/98/08/35/573980835.db2.gz ONRLVDSFDDMEQB-UHFFFAOYSA-N 0 0 177.247 1.956 10 0 ADAERN Oc1ccc(O)c(-c2ncc[nH]2)c1 104401415 573980853 /nfs/dbraw/zinc/98/08/53/573980853.db2.gz JFZFJCIDIHUZFZ-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN CC1(C)CC[C@@H](CO)C(=O)C1 238223522 573980870 /nfs/dbraw/zinc/98/08/70/573980870.db2.gz WONGVLZSMKEXGO-ZETCQYMHSA-N 0 0 156.225 1.374 10 0 ADAERN COc1ccc(SC[NH3+])cc1OC 259256056 573980897 /nfs/dbraw/zinc/98/08/97/573980897.db2.gz PHJZXYBTFOFMTG-UHFFFAOYSA-N 0 0 199.275 1.712 10 0 ADAERN CCC(=O)[C@@H](C)[C@@H](C)C(C)=O 238223838 573980903 /nfs/dbraw/zinc/98/09/03/573980903.db2.gz TYFDYNINVWBRDS-RQJHMYQMSA-N 0 0 156.225 1.827 10 0 ADAERN CC/C=C/[N@@H+]1CCC[C@H]1C(=O)[O-] 238223259 573980997 /nfs/dbraw/zinc/98/09/97/573980997.db2.gz SVCBZAHFPVTNGM-HFSLJOEWSA-N 0 0 169.224 1.459 10 0 ADAERN Cc1c(-c2cnc(N)s2)cnn1C 85112221 573980911 /nfs/dbraw/zinc/98/09/11/573980911.db2.gz IRUHKHQIMWLCED-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN C[C@H]1c2cc(O)ccc2CC[C@H]1O 259257129 573980930 /nfs/dbraw/zinc/98/09/30/573980930.db2.gz LJBIQXJSQUYQDH-WRWORJQWSA-N 0 0 178.231 1.803 10 0 ADAERN Cc1cc(C)c2c(c1)[C@H](CO)CN2 107459052 573980950 /nfs/dbraw/zinc/98/09/50/573980950.db2.gz IJALINPDPXORFS-VIFPVBQESA-N 0 0 177.247 1.805 10 0 ADAERN Cc1cc(-c2nc(N)n[nH]2)c(N)s1 110778374 573980953 /nfs/dbraw/zinc/98/09/53/573980953.db2.gz HIBIZNKOAWSNOZ-UHFFFAOYSA-N 0 0 195.251 1.006 10 0 ADAERN CCCc1ccnc(NC(C)=O)c1 238222899 573980970 /nfs/dbraw/zinc/98/09/70/573980970.db2.gz RPFWGXXFFMROOJ-UHFFFAOYSA-N 0 0 178.235 1.993 10 0 ADAERN CCC1(CC)C(=O)C[C@H](C)NC1=O 238223021 573980977 /nfs/dbraw/zinc/98/09/77/573980977.db2.gz NGAZPWBVSTWDJM-ZETCQYMHSA-N 0 0 183.251 1.270 10 0 ADAERN CC1=CCC(C)=CC(C(N)=O)=C1 238223250 573981088 /nfs/dbraw/zinc/98/10/88/573981088.db2.gz AHBWUIQHYQOOFM-UHFFFAOYSA-N 0 0 163.220 1.694 10 0 ADAERN CC1(C)CC[C@@H](O)C(C)(C)C1=O 238224009 573981112 /nfs/dbraw/zinc/98/11/12/573981112.db2.gz VVVHXSFPYSCQMF-SSDOTTSWSA-N 0 0 170.252 1.763 10 0 ADAERN CC1=CC(C)(C)CC2=NCCN[C@@H]12 238223744 573981125 /nfs/dbraw/zinc/98/11/25/573981125.db2.gz IAMRHFGUWXUIHL-JTQLQIEISA-N 0 0 178.279 1.775 10 0 ADAERN C[C@H]1C[C@](C[NH3+])(CC(=O)[O-])CC[C@H]1C 85113937 573981133 /nfs/dbraw/zinc/98/11/33/573981133.db2.gz HYCPYEKTQJGIMQ-YWVKMMECSA-N 0 0 199.294 1.862 10 0 ADAERN Cc1cc(C(=O)NC2CC2)c(N)s1 104423293 573981137 /nfs/dbraw/zinc/98/11/37/573981137.db2.gz DNZQZERZMGIIQK-UHFFFAOYSA-N 0 0 196.275 1.531 10 0 ADAERN CONCc1ccc2cccnc2c1 258194436 573981149 /nfs/dbraw/zinc/98/11/49/573981149.db2.gz XTRYOUJDOWTUSX-UHFFFAOYSA-N 0 0 188.230 1.886 10 0 ADAERN CC1(C)CC[C@@H](CC(N)=O)[C@@]1(C)O 238223170 573981159 /nfs/dbraw/zinc/98/11/59/573981159.db2.gz OEVRIHGYSLSJLJ-OIBJUYFYSA-N 0 0 185.267 1.049 10 0 ADAERN CCCc1cccn1CCO 238222632 573981168 /nfs/dbraw/zinc/98/11/68/573981168.db2.gz FKQPERSLLCTYDD-UHFFFAOYSA-N 0 0 153.225 1.433 10 0 ADAERN Nc1cc(-c2cc(O)ccc2O)[nH]n1 258194425 573981169 /nfs/dbraw/zinc/98/11/69/573981169.db2.gz XTMASOXCJPJOBL-UHFFFAOYSA-N 0 0 191.190 1.070 10 0 ADAERN CCC(=O)[C@@H](C)C1=NCCS1 238222845 573981212 /nfs/dbraw/zinc/98/12/12/573981212.db2.gz WZRBDCZNGDGCFK-ZCFIWIBFSA-N 0 0 171.265 1.747 10 0 ADAERN COc1cc(F)c(C)cc1CCO 258194422 573981246 /nfs/dbraw/zinc/98/12/46/573981246.db2.gz XTJHRUIQBINNIU-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN CC1=CC(C)(C)C(=N)O1 238223326 573981247 /nfs/dbraw/zinc/98/12/47/573981247.db2.gz KZFVWVYPLDDXSF-UHFFFAOYSA-N 0 0 125.171 1.924 10 0 ADAERN CCC1(CC)C(=O)NC1(C)C 238223398 573981306 /nfs/dbraw/zinc/98/13/06/573981306.db2.gz XGRBBEALTHATTA-UHFFFAOYSA-N 0 0 155.241 1.701 10 0 ADAERN CCCCc1nc([C@H](N)COC)no1 127966008 573981330 /nfs/dbraw/zinc/98/13/30/573981330.db2.gz ANNZOLHFLPAKMS-SSDOTTSWSA-N 0 0 199.254 1.058 10 0 ADAERN Cc1cccc2c1N[C@@H](C)NC2=O 104450979 573981374 /nfs/dbraw/zinc/98/13/74/573981374.db2.gz KUEONKRZQQVXGL-SSDOTTSWSA-N 0 0 176.219 1.496 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H]1NCCCS1 87603855 573981379 /nfs/dbraw/zinc/98/13/79/573981379.db2.gz RHVQCHINJYUOBG-SECBINFHSA-N 0 0 197.307 1.752 10 0 ADAERN CCCc1cccccc1=O 238222564 573981413 /nfs/dbraw/zinc/98/14/13/573981413.db2.gz SSNRPTVPKBQQTN-UHFFFAOYSA-N 0 0 148.205 1.999 10 0 ADAERN CO[C@@H](C)CC(=O)c1cncnc1 127966203 573983186 /nfs/dbraw/zinc/98/31/86/573983186.db2.gz AADLSNATSMXWSV-ZETCQYMHSA-N 0 0 180.207 1.084 10 0 ADAERN CC1(C)c2cccn2CC[C@H]1O 238223537 573981437 /nfs/dbraw/zinc/98/14/37/573981437.db2.gz XZIRCFCNTMOKOO-SECBINFHSA-N 0 0 165.236 1.530 10 0 ADAERN CSC(CCO)SC 81976921 573981438 /nfs/dbraw/zinc/98/14/38/573981438.db2.gz QUNQYTHEBKHZGN-UHFFFAOYSA-N 0 0 152.284 1.421 10 0 ADAERN CCSC[C@H]([NH2+]C(C)C)C(=O)[O-] 45553509 573981448 /nfs/dbraw/zinc/98/14/48/573981448.db2.gz FCOWKKJVOYABOY-ZETCQYMHSA-N 0 0 191.296 1.191 10 0 ADAERN CCCC[C@](C)(Cl)C(N)=O 81979822 573981467 /nfs/dbraw/zinc/98/14/67/573981467.db2.gz ULXCXCWGKJDFQR-ZETCQYMHSA-N 0 0 163.648 1.659 10 0 ADAERN COc1cc(C)c(C=O)c(OC)c1O 81976139 573981480 /nfs/dbraw/zinc/98/14/80/573981480.db2.gz IMMMQBZOQYAMCK-UHFFFAOYSA-N 0 0 196.202 1.530 10 0 ADAERN COc1cc(F)cc(CNO)c1C 258194409 573981488 /nfs/dbraw/zinc/98/14/88/573981488.db2.gz XTAQHYPIRBACJG-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN CC/C=C/C[C@@H]1C(=O)C[C@@H]2O[C@@H]21 238223044 573981489 /nfs/dbraw/zinc/98/14/89/573981489.db2.gz CGFMXGNLYXSXLA-YFTHNKSASA-N 0 0 166.220 1.699 10 0 ADAERN CCC(=O)[C@@H](C)[C@@H]1CCC(=O)C1 238224028 573981503 /nfs/dbraw/zinc/98/15/03/573981503.db2.gz VECRNYPKUIIXSP-JGVFFNPUSA-N 0 0 168.236 1.971 10 0 ADAERN C/C=C\C[N@@H+](CC)C(C)(C)C(=O)[O-] 211790982 573981524 /nfs/dbraw/zinc/98/15/24/573981524.db2.gz OYRUWSKJDVMSNE-ALCCZGGFSA-N 0 0 185.267 1.748 10 0 ADAERN COc1cc(C=O)cc2onc(C)c12 259589102 573981542 /nfs/dbraw/zinc/98/15/42/573981542.db2.gz YHBSPJICRGKJKB-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN CONCc1cc(C)c(C)cc1C=O 258194413 573981566 /nfs/dbraw/zinc/98/15/66/573981566.db2.gz XTBSXPKRUYSQAB-UHFFFAOYSA-N 0 0 193.246 1.767 10 0 ADAERN C[NH2+][C@H](CSCC(C)C)C(=O)[O-] 45547834 573981569 /nfs/dbraw/zinc/98/15/69/573981569.db2.gz WZBVWIPBYVCIQI-SSDOTTSWSA-N 0 0 191.296 1.048 10 0 ADAERN CC1(C)CC[C@@H](CCO)[C@H]1O 238223433 573981577 /nfs/dbraw/zinc/98/15/77/573981577.db2.gz GNQFECIVHIWQCM-JGVFFNPUSA-N 0 0 158.241 1.166 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XTODNVCJJVEWFK-UHFFFAOYSA-N 0 0 189.218 1.467 10 0 ADAERN CCCSC[C@](C)(N)C(=O)OC 45554457 573981705 /nfs/dbraw/zinc/98/17/05/573981705.db2.gz DTENOZXENBXXCH-QMMMGPOBSA-N 0 0 191.296 1.020 10 0 ADAERN CCCNc1n[nH]c(-c2ccco2)n1 238224083 573981726 /nfs/dbraw/zinc/98/17/26/573981726.db2.gz RQRXBCVFDGKEBT-UHFFFAOYSA-N 0 0 192.222 1.887 10 0 ADAERN CCCOCC(=O)C[C@H](C)OC 127957043 573981742 /nfs/dbraw/zinc/98/17/42/573981742.db2.gz NIWOCGQPHKUSJX-QMMMGPOBSA-N 0 0 174.240 1.407 10 0 ADAERN CC1(C)CC[C@@H](C(=O)[O-])[NH2+]CS1 238222993 573981756 /nfs/dbraw/zinc/98/17/56/573981756.db2.gz QBJCBSHFMUCPBV-LURJTMIESA-N 0 0 189.280 1.292 10 0 ADAERN Cc1c(-c2ccccc2N)cnn1C 85112211 573983205 /nfs/dbraw/zinc/98/32/05/573983205.db2.gz AGSUXMJXDFXBEI-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCC[C@@H](O)C1CCC1 81973489 573981780 /nfs/dbraw/zinc/98/17/80/573981780.db2.gz VGFAAMSOZGBELY-MRVPVSSYSA-N 0 0 128.215 1.948 10 0 ADAERN CCCCSC[C@](C)([NH3+])C(=O)[O-] 45546960 573981784 /nfs/dbraw/zinc/98/17/84/573981784.db2.gz PPNFGVZDIOCWDK-QMMMGPOBSA-N 0 0 191.296 1.322 10 0 ADAERN C[C@H](CC(N)=O)C1CCCC1 81970190 573981800 /nfs/dbraw/zinc/98/18/00/573981800.db2.gz DFUYDOHJUILMNB-SSDOTTSWSA-N 0 0 155.241 1.688 10 0 ADAERN CCC1(CC)C=CC(=O)NC1=O 238223964 573981804 /nfs/dbraw/zinc/98/18/04/573981804.db2.gz TWRNDCDGIJCADX-UHFFFAOYSA-N 0 0 167.208 1.005 10 0 ADAERN CCC[C@@](C)(C[NH3+])CC(=O)[O-] 85113737 573981806 /nfs/dbraw/zinc/98/18/06/573981806.db2.gz FGNJADJQRMFVCR-MRVPVSSYSA-N 0 0 159.229 1.226 10 0 ADAERN CC1(C)CC[C@@H](CCO)[C@@H]1O 238223410 573981808 /nfs/dbraw/zinc/98/18/08/573981808.db2.gz GNQFECIVHIWQCM-YUMQZZPRSA-N 0 0 158.241 1.166 10 0 ADAERN CC/C=C/[N@@H+]1CCC[C@@H]1C(=O)[O-] 238223237 573981812 /nfs/dbraw/zinc/98/18/12/573981812.db2.gz SVCBZAHFPVTNGM-GWSCVKMXSA-N 0 0 169.224 1.459 10 0 ADAERN CCC(=O)[C@@H](C)[C@@H]1CCC(=O)O1 238224048 573981838 /nfs/dbraw/zinc/98/18/38/573981838.db2.gz FAWQRHOBSNTDLX-SVRRBLITSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1cc(Cn2cnc(C=O)c2)no1 235862341 573981868 /nfs/dbraw/zinc/98/18/68/573981868.db2.gz CGMTVFNOFVOEMU-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN CCC1(CC)CCC(=O)O[C@@H]1O 238224422 573983215 /nfs/dbraw/zinc/98/32/15/573983215.db2.gz GAFGHNDTEWFPQD-QMMMGPOBSA-N 0 0 172.224 1.448 10 0 ADAERN C[C@@H](CC(N)=O)C1CCCC1 81970189 573981882 /nfs/dbraw/zinc/98/18/82/573981882.db2.gz DFUYDOHJUILMNB-ZETCQYMHSA-N 0 0 155.241 1.688 10 0 ADAERN C[C@@H]1C[C@@H](C)CC(C[NH3+])(CC(=O)[O-])C1 85113706 573981886 /nfs/dbraw/zinc/98/18/86/573981886.db2.gz RITSSYUURQCBAD-RKDXNWHRSA-N 0 0 199.294 1.862 10 0 ADAERN CCCCOCC(O)=C=O 238222536 573981902 /nfs/dbraw/zinc/98/19/02/573981902.db2.gz LJDFNLHCOLYQPH-UHFFFAOYSA-N 0 0 144.170 1.077 10 0 ADAERN CC/C=C/[C@@H]1CSC(=O)N1 238224039 573981914 /nfs/dbraw/zinc/98/19/14/573981914.db2.gz NVEVOXCUNALGHX-FCJGRKLLSA-N 0 0 157.238 1.778 10 0 ADAERN CC(=O)c1nc(C(C)(C)C)c[nH]1 259031929 573981960 /nfs/dbraw/zinc/98/19/60/573981960.db2.gz GMFWQMVUVOLDLH-UHFFFAOYSA-N 0 0 166.224 1.910 10 0 ADAERN Cc1cc(O)c(CO)c(O)c1Cl 104454628 573981967 /nfs/dbraw/zinc/98/19/67/573981967.db2.gz NLQGANSPVNOFGC-UHFFFAOYSA-N 0 0 188.610 1.552 10 0 ADAERN CNNc1cccc(Cl)c1 104454634 573981992 /nfs/dbraw/zinc/98/19/92/573981992.db2.gz SPNZBGAEJBJFBM-UHFFFAOYSA-N 0 0 156.616 1.886 10 0 ADAERN CCCC[C@@](C)(Cl)C(N)=O 81979824 573982017 /nfs/dbraw/zinc/98/20/17/573982017.db2.gz ULXCXCWGKJDFQR-SSDOTTSWSA-N 0 0 163.648 1.659 10 0 ADAERN CCC1(CC)C(=O)NCC(C)=C1OC 238223476 573982031 /nfs/dbraw/zinc/98/20/31/573982031.db2.gz AQXSMYNKMASIHA-UHFFFAOYSA-N 0 0 197.278 1.843 10 0 ADAERN CCC[C@H](O)C1CCC1 81973488 573982056 /nfs/dbraw/zinc/98/20/56/573982056.db2.gz VGFAAMSOZGBELY-QMMMGPOBSA-N 0 0 128.215 1.948 10 0 ADAERN CC(C)[C@@H](C(N)=O)[C@H]1C=CCC1 238223559 573982058 /nfs/dbraw/zinc/98/20/58/573982058.db2.gz OLGWTEWOECECAT-DTWKUNHWSA-N 0 0 167.252 1.710 10 0 ADAERN CCC1(CC)C=NC(=O)NC1=O 238223984 573982086 /nfs/dbraw/zinc/98/20/86/573982086.db2.gz MXGGICWNCNHWDD-UHFFFAOYSA-N 0 0 168.196 1.113 10 0 ADAERN CCCCC[C@H](C)NC(N)=S 42571907 573982088 /nfs/dbraw/zinc/98/20/88/573982088.db2.gz POEFDBMUDVQCQV-ZETCQYMHSA-N 0 0 174.313 1.788 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H](CC(C)C)[NH2+]C 259257706 573982096 /nfs/dbraw/zinc/98/20/96/573982096.db2.gz OCKXUOSUGAPSTJ-RKDXNWHRSA-N 0 0 187.283 1.731 10 0 ADAERN CO[C@H](C)Cc1nc(C=O)cs1 127831336 573982104 /nfs/dbraw/zinc/98/21/04/573982104.db2.gz LBLUWQMFURKNOP-ZCFIWIBFSA-N 0 0 185.248 1.533 10 0 ADAERN Cc1ccc(-c2cc(N)on2)cc1N 259589126 573982154 /nfs/dbraw/zinc/98/21/54/573982154.db2.gz YIAQLRYWPYKQHQ-UHFFFAOYSA-N 0 0 189.218 1.814 10 0 ADAERN Cc1c(-c2cccnc2N)cnn1C 85112207 573982167 /nfs/dbraw/zinc/98/21/67/573982167.db2.gz WNWRVIJOUGAYFZ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCC1(CC)C(=O)NC(=O)N=C1OC 238223280 573982176 /nfs/dbraw/zinc/98/21/76/573982176.db2.gz SWNFRQIDWYYLLV-UHFFFAOYSA-N 0 0 198.222 1.088 10 0 ADAERN CCCc1nnc(=S)[nH]c1CCC 238224241 573982185 /nfs/dbraw/zinc/98/21/85/573982185.db2.gz GADRAGMZPYFBEF-FNORWQNLSA-N 0 0 197.307 1.914 10 0 ADAERN CCC1(CC)C(=O)N[C@@H](C)[C@H](C)C1=O 238223578 573982194 /nfs/dbraw/zinc/98/21/94/573982194.db2.gz PJWDFPYMEKROMG-YUMQZZPRSA-N 0 0 197.278 1.516 10 0 ADAERN CCCCSC[C@@H]([NH2+]C)C(=O)[O-] 45547061 573982210 /nfs/dbraw/zinc/98/22/10/573982210.db2.gz YPWAFORHHABWOM-SSDOTTSWSA-N 0 0 191.296 1.192 10 0 ADAERN COC(=O)[C@H](N)CSC(C)(C)C 45554346 573982246 /nfs/dbraw/zinc/98/22/46/573982246.db2.gz KSZSAHPPDJMTON-ZCFIWIBFSA-N 0 0 191.296 1.018 10 0 ADAERN CNc1cc2cc(F)ccn2n1 104452402 573982300 /nfs/dbraw/zinc/98/23/00/573982300.db2.gz UMPDEEXGFCLGKE-UHFFFAOYSA-N 0 0 165.171 1.515 10 0 ADAERN CC(C)CSC[C@](C)([NH3+])C(=O)[O-] 45547730 573982303 /nfs/dbraw/zinc/98/23/03/573982303.db2.gz JAPMNWXYNYHZGZ-QMMMGPOBSA-N 0 0 191.296 1.178 10 0 ADAERN CCc1nc(C)cn1C[C@H](C)O 715107500 573982334 /nfs/dbraw/zinc/98/23/34/573982334.db2.gz BULNUPSRNLFPHG-QMMMGPOBSA-N 0 0 168.240 1.135 10 0 ADAERN CCCCC(=O)C[S@@](C)=O 238223995 573982360 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573982607 /nfs/dbraw/zinc/98/26/07/573982607.db2.gz BULNUPSRNLFPHG-MRVPVSSYSA-N 0 0 168.240 1.135 10 0 ADAERN Cc1n[nH]c(C)c1[C@H]1NCCCS1 87603856 573982650 /nfs/dbraw/zinc/98/26/50/573982650.db2.gz RHVQCHINJYUOBG-VIFPVBQESA-N 0 0 197.307 1.752 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H](CC(C)C)[NH2+]C 259257698 573982690 /nfs/dbraw/zinc/98/26/90/573982690.db2.gz OCKXUOSUGAPSTJ-DTWKUNHWSA-N 0 0 187.283 1.731 10 0 ADAERN CC[C@@]1(C)CCOC(=O)N1 258463665 573982701 /nfs/dbraw/zinc/98/27/01/573982701.db2.gz HJIWEGBTEXODGE-ZETCQYMHSA-N 0 0 143.186 1.285 10 0 ADAERN CC[C@@H](C)SC[C@H]([NH2+]C)C(=O)[O-] 45553981 573982709 /nfs/dbraw/zinc/98/27/09/573982709.db2.gz UXCFOODULRZHMV-RQJHMYQMSA-N 0 0 191.296 1.191 10 0 in-vitro ADAERN CCc1nc2n(c1CCO)CCCC2 259032230 573982723 /nfs/dbraw/zinc/98/27/23/573982723.db2.gz JUSCYRUAXYWGGZ-UHFFFAOYSA-N 0 0 194.278 1.317 10 0 ADAERN C[C@H]1CCCNC(=O)CC1 82095508 573982738 /nfs/dbraw/zinc/98/27/38/573982738.db2.gz UERNLEUISUJLOY-ZETCQYMHSA-N 0 0 141.214 1.313 10 0 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573985797 /nfs/dbraw/zinc/98/57/97/573985797.db2.gz MSHIWFNEFUCYMM-UHFFFAOYSA-N 0 0 185.252 1.170 10 0 ADAERN CCCCSC[C@H]([NH2+]C)C(=O)[O-] 45547058 573985801 /nfs/dbraw/zinc/98/58/01/573985801.db2.gz YPWAFORHHABWOM-ZETCQYMHSA-N 0 0 191.296 1.192 10 0 ADAERN O=C1CC[C@@]2(CN1)Cc1ccccc12 104453932 573985826 /nfs/dbraw/zinc/98/58/26/573985826.db2.gz ZKKGULBZOGOCDR-LBPRGKRZSA-N 0 0 187.242 1.391 10 0 ADAERN CC1(C)CC[C@@](C)(CCO)N1O 238225033 573985838 /nfs/dbraw/zinc/98/58/38/573985838.db2.gz YWNKEDODYAZNOZ-VIFPVBQESA-N 0 0 173.256 1.391 10 0 ADAERN CC1(C)C(=O)N[C@@H]2CCC[C@@H]21 238225605 573985858 /nfs/dbraw/zinc/98/58/58/573985858.db2.gz SMMFJPBZELMRDH-NKWVEPMBSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@H](O)Cc1cccc([C@@H](C)CO)c1 259257770 573985860 /nfs/dbraw/zinc/98/58/60/573985860.db2.gz AIKLIMZBYYYBDE-UWVGGRQHSA-N 0 0 194.274 1.706 10 0 ADAERN CC(C)C[C@H]1CC(=O)N[C@@H]1C 85135083 573986941 /nfs/dbraw/zinc/98/69/41/573986941.db2.gz CQHOYQCZNAGNFO-SFYZADRCSA-N 0 0 155.241 1.557 10 0 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/nfs/dbraw/zinc/98/98/64/573989864.db2.gz RMNPKGIJJWMNSS-IUCAKERBSA-N 0 0 179.219 1.662 10 0 ADAERN CCC[C@@](C)(O)C1CCOCC1 87648494 573989870 /nfs/dbraw/zinc/98/98/70/573989870.db2.gz RKLSTRZHYDAZBD-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN CC1(C)NC(=O)C[C@]12CCSC2 85136128 573989872 /nfs/dbraw/zinc/98/98/72/573989872.db2.gz SRZCPYBXJKNAES-VIFPVBQESA-N 0 0 185.292 1.408 10 0 ADAERN CC(C)[C@H]1CCC[NH2+][C@H]1C(=O)[O-] 238230845 573989873 /nfs/dbraw/zinc/98/98/73/573989873.db2.gz XJAJQWLAFOERLR-HTQZYQBOSA-N 0 0 171.240 1.095 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CCO[C@H](C)C2 85137116 573989876 /nfs/dbraw/zinc/98/98/76/573989876.db2.gz INMXFPQJGCHNJC-WCABBAIRSA-N 0 0 197.278 1.470 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]1(C)C1CC1 85136706 573989900 /nfs/dbraw/zinc/98/99/00/573989900.db2.gz XSTUBPNMQYDRTQ-WPRPVWTQSA-N 0 0 167.252 1.701 10 0 ADAERN CC1(C)NC(=O)C[C@]12CCCOCC2 85136300 573989919 /nfs/dbraw/zinc/98/99/19/573989919.db2.gz WRZPCEHGQRCQNY-LLVKDONJSA-N 0 0 197.278 1.472 10 0 ADAERN CC1(C)C(=O)CCC[C@@]12CO2 238230981 573989943 /nfs/dbraw/zinc/98/99/43/573989943.db2.gz LOXZCLZCSMKHTJ-SECBINFHSA-N 0 0 154.209 1.535 10 0 ADAERN CC(C)[C@H]1CC(=O)NC1(C)C 85136126 573989945 /nfs/dbraw/zinc/98/99/45/573989945.db2.gz XFNVGRDIOUMCKD-SSDOTTSWSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)C[C@@H]1NC(=O)C[C@@H]1C 85137232 573990068 /nfs/dbraw/zinc/99/00/68/573990068.db2.gz QGPBWIJPYWSSCV-YUMQZZPRSA-N 0 0 155.241 1.557 10 0 ADAERN Nc1nocc1-c1ccncc1 87618843 573989950 /nfs/dbraw/zinc/98/99/50/573989950.db2.gz XKFDDNAYCIIRMG-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN C[C@H]1CCc2[nH]nc(N)c21 104461909 573989956 /nfs/dbraw/zinc/98/99/56/573989956.db2.gz JNIQNWIHPGXJQC-BYPYZUCNSA-N 0 0 137.186 1.042 10 0 ADAERN CC[N@@H+]1CCC[C@@H]1C/C=C\CC(=O)[O-] 258197719 573989964 /nfs/dbraw/zinc/98/99/64/573989964.db2.gz NCWZSVJRMIKTRA-XOULXFPDSA-N 0 0 197.278 1.892 10 0 ADAERN CCCc1ncc(N)o1 238230858 573989965 /nfs/dbraw/zinc/98/99/65/573989965.db2.gz QQXSTVNCIMUDRJ-UHFFFAOYSA-N 0 0 126.159 1.209 10 0 ADAERN C[C@H]1CCNC(=O)N(C(C)(C)C)C1=O 87634696 573989976 /nfs/dbraw/zinc/98/99/76/573989976.db2.gz GZJJHNPACLCNKW-ZETCQYMHSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)C[C@@H]1CC(=O)NC1(C)C 85136218 573989991 /nfs/dbraw/zinc/98/99/91/573989991.db2.gz HGGIIRVTGFHZNN-MRVPVSSYSA-N 0 0 169.268 1.947 10 0 ADAERN O=c1ncccn1C[C@@H]1CC=CCC1 402403078 573989998 /nfs/dbraw/zinc/98/99/98/573989998.db2.gz RCNXWDABRROGGT-SNVBAGLBSA-N 0 0 190.246 1.600 10 0 ADAERN CCC(CC)C[C@@H](O)c1cn[nH]n1 128015588 573990013 /nfs/dbraw/zinc/99/00/13/573990013.db2.gz WIAUOWGVPZHCBS-SECBINFHSA-N 0 0 183.255 1.664 10 0 ADAERN CC1(C)NC(=O)C[C@@]12CCCOCC2 85136302 573990024 /nfs/dbraw/zinc/99/00/24/573990024.db2.gz WRZPCEHGQRCQNY-NSHDSACASA-N 0 0 197.278 1.472 10 0 ADAERN CCC(CC)[C@H]1CC(=O)N[C@@H]1C 85135834 573990027 /nfs/dbraw/zinc/99/00/27/573990027.db2.gz PHLIXUONZQEQJC-APPZFPTMSA-N 0 0 169.268 1.947 10 0 ADAERN COc1ccc2s[nH]c(=O)c2c1 82227880 573990028 /nfs/dbraw/zinc/99/00/28/573990028.db2.gz GNXMAEFZIPLDJN-UHFFFAOYSA-N 0 0 181.216 1.598 10 0 ADAERN [NH3+]C[C@H](c1ccon1)N1CCCCC1 74244051 573990034 /nfs/dbraw/zinc/99/00/34/573990034.db2.gz UJDLMSSTQJJKMA-SNVBAGLBSA-N 0 0 195.266 1.160 10 0 ADAERN CC[C@H]1NC(=O)C[C@@H]1c1ccco1 85137029 573990035 /nfs/dbraw/zinc/99/00/35/573990035.db2.gz UMXRAWOIYBFKGR-JGVFFNPUSA-N 0 0 179.219 1.662 10 0 ADAERN O=c1ncccn1C[C@H]1CC=CCC1 402403077 573990036 /nfs/dbraw/zinc/99/00/36/573990036.db2.gz RCNXWDABRROGGT-JTQLQIEISA-N 0 0 190.246 1.600 10 0 ADAERN CC[C@@H](C)[C@@H]1CC(=O)NC1(C)C 85136401 573990058 /nfs/dbraw/zinc/99/00/58/573990058.db2.gz HOTSHDBGWCXRMG-SFYZADRCSA-N 0 0 169.268 1.947 10 0 ADAERN CC1(C)COC([C@@](C)(Cl)CO)=N1 238232826 573992143 /nfs/dbraw/zinc/99/21/43/573992143.db2.gz HSSWWVSNYZIBEY-QMMMGPOBSA-N 0 0 191.658 1.184 10 0 ADAERN Cc1ncc2c(Cl)nccc2n1 104462544 573991680 /nfs/dbraw/zinc/99/16/80/573991680.db2.gz LNLLHXCCFWSHTK-UHFFFAOYSA-N 0 0 179.610 1.987 10 0 ADAERN CC1(C)NC(=O)C[C@H]1c1ccco1 85136417 573991682 /nfs/dbraw/zinc/99/16/82/573991682.db2.gz QMOUZOCTNDWPQP-ZETCQYMHSA-N 0 0 179.219 1.662 10 0 ADAERN CCOC(=[NH2+])C=C(C)C 104470335 573996102 /nfs/dbraw/zinc/99/61/02/573996102.db2.gz IGPCPLXAEXSFSN-UHFFFAOYSA-N 0 0 127.187 1.966 10 0 ADAERN CCC(=O)[C@H]1OC(C)(C)O[C@@H]1C 238235118 573996761 /nfs/dbraw/zinc/99/67/61/573996761.db2.gz QBEZJPMHSJUNNF-SVRRBLITSA-N 0 0 172.224 1.506 10 0 ADAERN CC1(C)NC(=O)C[C@H]1c1ccncc1 85136318 573991686 /nfs/dbraw/zinc/99/16/86/573991686.db2.gz WRKCSDAKCVDUTR-VIFPVBQESA-N 0 0 190.246 1.464 10 0 ADAERN Cc1cnn(CCCC[C@@H](C)O)c1 45621117 573991688 /nfs/dbraw/zinc/99/16/88/573991688.db2.gz HZYIVCYDTFDBNV-SNVBAGLBSA-N 0 0 182.267 1.743 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12CCCSC2 85135925 573991690 /nfs/dbraw/zinc/99/16/90/573991690.db2.gz HXTWSVRCCVQKBG-IONNQARKSA-N 0 0 185.292 1.408 10 0 ADAERN CCC(=O)[C@H]1CCC[C@@H](C(=O)NC)C1 238233719 573991691 /nfs/dbraw/zinc/99/16/91/573991691.db2.gz RLCTWACPGHRCKI-DTWKUNHWSA-N 0 0 197.278 1.518 10 0 ADAERN O=C1CN2C=CC(C3CC3)=NC2=N1 104465225 573991692 /nfs/dbraw/zinc/99/16/92/573991692.db2.gz LBJSUBQHPFLXKA-UHFFFAOYSA-N 0 0 175.191 1.312 10 0 ADAERN CCC[C@@H]1C[C@]1(O)[C@@H]1C[C@@H]1OC 689879395 573992119 /nfs/dbraw/zinc/99/21/19/573992119.db2.gz GJMLYKLSFOTPBQ-DOLQZWNJSA-N 0 0 170.252 1.572 10 0 ADAERN CC(C)C[C@H]1NC(=O)C[C@@H]1C1CC1 85137235 573992146 /nfs/dbraw/zinc/99/21/46/573992146.db2.gz LDKLJUSUBLTCIW-NXEZZACHSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1ccnc2ncc(Cl)n12 104463784 573992186 /nfs/dbraw/zinc/99/21/86/573992186.db2.gz TUNXIQTXCQEMNX-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@H]1C(C)C 85136776 573992156 /nfs/dbraw/zinc/99/21/56/573992156.db2.gz VICLIHWTCOSRGO-SFYZADRCSA-N 0 0 155.241 1.557 10 0 ADAERN CC(=O)CN1C[C@@H](CC(C)C)NC1=O 259261177 573992160 /nfs/dbraw/zinc/99/21/60/573992160.db2.gz DSCNJDDHSQIDQB-SECBINFHSA-N 0 0 198.266 1.015 10 0 ADAERN CCCCN1C(=O)CCCNC1=O 87634702 573992164 /nfs/dbraw/zinc/99/21/64/573992164.db2.gz NBLCKKGFIDUDMM-UHFFFAOYSA-N 0 0 184.239 1.119 10 0 ADAERN O=C1CN2C=CC(Cl)=CC2=N1 104467405 573992165 /nfs/dbraw/zinc/99/21/65/573992165.db2.gz JLLFNLWHSGOHEL-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN CC[C@H]1NC(=O)CC12CCOCC2 85136789 573992171 /nfs/dbraw/zinc/99/21/71/573992171.db2.gz NZPZDHWKMAWUFP-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN FC(F)(F)c1ccn2cnnc2n1 104465239 573992175 /nfs/dbraw/zinc/99/21/75/573992175.db2.gz JAOZKCMHCKRHSY-UHFFFAOYSA-N 0 0 188.112 1.143 10 0 ADAERN Cc1cnc(C)c(NC(C)C)n1 82237700 573992183 /nfs/dbraw/zinc/99/21/83/573992183.db2.gz IGURVRHAXAJALZ-UHFFFAOYSA-N 0 0 165.240 1.914 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1c1cccc(F)c1 85135652 573992368 /nfs/dbraw/zinc/99/23/68/573992368.db2.gz FGOLHUZHMBSKQQ-OIBJUYFYSA-N 0 0 193.221 1.818 10 0 ADAERN CCc1nccn1C(=O)C1CC1 82255215 573992369 /nfs/dbraw/zinc/99/23/69/573992369.db2.gz ZEUXHJKRKHMKDW-UHFFFAOYSA-N 0 0 164.208 1.496 10 0 ADAERN CSC[C@H](CO)Cc1ccco1 258197268 573993284 /nfs/dbraw/zinc/99/32/84/573993284.db2.gz JDMUIMROAKARIJ-QMMMGPOBSA-N 0 0 186.276 1.794 10 0 ADAERN O=Cc1nccn1[C@H]1CCC[C@H](O)C1 104466053 573992370 /nfs/dbraw/zinc/99/23/70/573992370.db2.gz JTGZMIYVWBKOPY-IUCAKERBSA-N 0 0 194.234 1.172 10 0 ADAERN O=C1CN2C=CC(C3CCC3)=NC2=N1 104465230 573992375 /nfs/dbraw/zinc/99/23/75/573992375.db2.gz JAWHAPZFOGSHQI-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)C(C)C 82249940 573992384 /nfs/dbraw/zinc/99/23/84/573992384.db2.gz SXUMHPBMAOTLCW-VIFPVBQESA-N 0 0 187.283 1.826 10 0 ADAERN C1=NCc2ccc3ccncc3c2N1 104462870 573992385 /nfs/dbraw/zinc/99/23/85/573992385.db2.gz OCXJNQIAJUFVKJ-UHFFFAOYSA-N 0 0 183.214 1.998 10 0 ADAERN CCc1ccc([C@@H]2CC(=O)N[C@@H]2C)o1 85135902 573992387 /nfs/dbraw/zinc/99/23/87/573992387.db2.gz OTXVHIWOWLCSOF-VXNVDRBHSA-N 0 0 193.246 1.834 10 0 ADAERN C[C@@H](CO)c1ccc(CCCO)cc1 259260773 573992388 /nfs/dbraw/zinc/99/23/88/573992388.db2.gz AMSIKERTBPPJGP-JTQLQIEISA-N 0 0 194.274 1.707 10 0 ADAERN CCC(=O)[C@H]1CCC[C@@H]1O 238233777 573992401 /nfs/dbraw/zinc/99/24/01/573992401.db2.gz OBUHEZUCTPBYAV-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN CCc1onc(N)c1-c1ccncc1 87618852 573992415 /nfs/dbraw/zinc/99/24/15/573992415.db2.gz DSNZJNLXKUIMRX-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN C[C@@H](O)[C@@H](C)N(C)c1ccccc1 82238364 573992425 /nfs/dbraw/zinc/99/24/25/573992425.db2.gz KMXRLARVGQBCAE-NXEZZACHSA-N 0 0 179.263 1.892 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CCCSC2 85137182 573991673 /nfs/dbraw/zinc/99/16/73/573991673.db2.gz ARFWUJXQYFZOPI-WPRPVWTQSA-N 0 0 199.319 1.798 10 0 ADAERN CC1=CCC[C@@]2(C1)C(=O)CC[C@H]2O 238233693 573991652 /nfs/dbraw/zinc/99/16/52/573991652.db2.gz GKFUKSJMTJNCBE-KOLCDFICSA-N 0 0 180.247 1.827 10 0 ADAERN Cc1nc(C)n(CCC[C@@H](C)O)n1 45621224 573991655 /nfs/dbraw/zinc/99/16/55/573991655.db2.gz YMQMZSGKDUSYDO-SSDOTTSWSA-N 0 0 183.255 1.056 10 0 ADAERN c1cn2cnnc2nc1C1CC1 104465244 573991658 /nfs/dbraw/zinc/99/16/58/573991658.db2.gz PPSXLFIIBVISOD-UHFFFAOYSA-N 0 0 160.180 1.002 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)NC2(C)C)o1 85135967 573991665 /nfs/dbraw/zinc/99/16/65/573991665.db2.gz CYJKNSZAMAILSO-QMMMGPOBSA-N 0 0 193.246 1.970 10 0 ADAERN CCC[C@@](C)(O)COCC 87649406 573991667 /nfs/dbraw/zinc/99/16/67/573991667.db2.gz MJUOOADEVZNRJW-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN O=C1CN2C(C3CCC3)=CC=NC2=N1 104466359 573991670 /nfs/dbraw/zinc/99/16/70/573991670.db2.gz JUFOANWSHOYOJK-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN CC(C)[C@]1(C)OC[C@H](CCO)O1 258523809 573991769 /nfs/dbraw/zinc/99/17/69/573991769.db2.gz GSABYFCYAZADSG-DTWKUNHWSA-N 0 0 174.240 1.156 10 0 ADAERN CC[C@@H]1NC(=O)CC12CCSCC2 85137128 573991703 /nfs/dbraw/zinc/99/17/03/573991703.db2.gz MOFLKPYOQVGADV-QMMMGPOBSA-N 0 0 199.319 1.798 10 0 ADAERN CC1(C)C[C@H](C2OCCO2)[C@H](O)C1 238233226 573991704 /nfs/dbraw/zinc/99/17/04/573991704.db2.gz FNDNDLQNISZSKZ-JGVFFNPUSA-N 0 0 186.251 1.156 10 0 ADAERN CC[C@@H]1NC(=O)C[C@H]1c1cccnc1 85136994 573991713 /nfs/dbraw/zinc/99/17/13/573991713.db2.gz VKXYDFODCFOHGP-UWVGGRQHSA-N 0 0 190.246 1.464 10 0 ADAERN CC1(C)NC(=O)C[C@@H]1[C@@H]1CCCOC1 85136282 573991717 /nfs/dbraw/zinc/99/17/17/573991717.db2.gz PWXCECDMPOUIOB-RKDXNWHRSA-N 0 0 197.278 1.328 10 0 ADAERN O=Cc1cnc2nccc(Cl)n12 104463400 573991724 /nfs/dbraw/zinc/99/17/24/573991724.db2.gz PGTUDSQBOQHSSY-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN CCC[C@@](C)(O)[C@H]1CCOC1 87648514 573991731 /nfs/dbraw/zinc/99/17/31/573991731.db2.gz WNXWILLRVUJYMI-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CC1(C)C[C@@H](O)[C@@H]2CC[C@@H]21 238233294 573991733 /nfs/dbraw/zinc/99/17/33/573991733.db2.gz VEKOBCPPFDMXAH-GJMOJQLCSA-N 0 0 140.226 1.803 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@H]1c1ccc(C)o1 85136625 573991748 /nfs/dbraw/zinc/99/17/48/573991748.db2.gz ACMLRTVVYKUUDX-IUCAKERBSA-N 0 0 193.246 1.970 10 0 ADAERN CCC[C@@H]1C[C@]1(O)[C@H]1C[C@H]1OC 689879396 573991749 /nfs/dbraw/zinc/99/17/49/573991749.db2.gz GJMLYKLSFOTPBQ-UTINFBMNSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@@H](CO)CSc1ccncn1 85138260 573991753 /nfs/dbraw/zinc/99/17/53/573991753.db2.gz WQBHXFNHLFJOFD-ZETCQYMHSA-N 0 0 184.264 1.197 10 0 ADAERN O=C1CCc2c(O)ccc(F)c21 104467096 573991756 /nfs/dbraw/zinc/99/17/56/573991756.db2.gz PMWMVHUPRPELJU-UHFFFAOYSA-N 0 0 166.151 1.660 10 0 ADAERN CC[C@@H]1NC(=O)CC1(C)C 85137098 573991763 /nfs/dbraw/zinc/99/17/63/573991763.db2.gz CREYFMDHHGJLBC-LURJTMIESA-N 0 0 141.214 1.311 10 0 ADAERN CCC[C@](C)(O)[C@H]1CCOC1 87648513 573991764 /nfs/dbraw/zinc/99/17/64/573991764.db2.gz WNXWILLRVUJYMI-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1ccnc2nnc(Cl)n12 104468073 573991766 /nfs/dbraw/zinc/99/17/66/573991766.db2.gz MWJWMBDCBOQSEZ-UHFFFAOYSA-N 0 0 168.587 1.086 10 0 ADAERN C[C@H](O)CCCCOCC1CC1 45622102 573992122 /nfs/dbraw/zinc/99/21/22/573992122.db2.gz PJNJLWMSBVTQLP-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN CC1(C)NC(=O)C[C@@H]1c1ccccn1 85135952 573991781 /nfs/dbraw/zinc/99/17/81/573991781.db2.gz ZCVPLDWUWBTJBX-MRVPVSSYSA-N 0 0 190.246 1.464 10 0 ADAERN COC(=O)C[C@](C)(O)c1ccco1 259590885 573993389 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574002085 /nfs/dbraw/zinc/00/20/85/574002085.db2.gz RVZDYSDTXBYYIJ-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN CCc1cc(Cl)c(OC)nn1 259267139 574002090 /nfs/dbraw/zinc/00/20/90/574002090.db2.gz ASSIVYFEEPDWHS-UHFFFAOYSA-N 0 0 172.615 1.701 10 0 ADAERN Cc1ccc(C(=O)CNC2CC2)o1 259267086 574002099 /nfs/dbraw/zinc/00/20/99/574002099.db2.gz TZMSSOBOURWSBT-UHFFFAOYSA-N 0 0 179.219 1.523 10 0 ADAERN O=C(C[C@@H]1CCCSC1)NC1CC1 82299120 574002102 /nfs/dbraw/zinc/00/21/02/574002102.db2.gz WOONQVCTVRDKIK-QMMMGPOBSA-N 0 0 199.319 1.798 10 0 ADAERN [NH3+][C@H](CCCCc1cc[nH]c1)C(=O)[O-] 82291879 574002120 /nfs/dbraw/zinc/00/21/20/574002120.db2.gz DKTMERIJQYHIBC-SECBINFHSA-N 0 0 196.250 1.139 10 0 ADAERN CC(C)CNc1cncc(N)n1 82285559 574002129 /nfs/dbraw/zinc/00/21/29/574002129.db2.gz PKWQJJAEVITAET-UHFFFAOYSA-N 0 0 166.228 1.127 10 0 ADAERN COc1ccc2c(c1F)C(=O)CCO2 104480280 574002140 /nfs/dbraw/zinc/00/21/40/574002140.db2.gz JOOKFGBZBBBUTB-UHFFFAOYSA-N 0 0 196.177 1.800 10 0 ADAERN 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82285504 574003056 /nfs/dbraw/zinc/00/30/56/574003056.db2.gz ZSRSYMRGMRMRBG-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN CC[C@H](CC(=O)[O-])[NH+]1CC(C)C1 128030347 574003070 /nfs/dbraw/zinc/00/30/70/574003070.db2.gz KZMHNKBVYQAUHC-MRVPVSSYSA-N 0 0 171.240 1.191 10 0 ADAERN [NH3+][C@@H](c1cscc1C(=O)[O-])C1CC1 104488869 574003695 /nfs/dbraw/zinc/00/36/95/574003695.db2.gz POXGHGIHXNXYDS-MRVPVSSYSA-N 0 0 197.259 1.856 10 0 ADAERN FC1(F)CN(Cc2ccccn2)C1 585379825 574003696 /nfs/dbraw/zinc/00/36/96/574003696.db2.gz CPMJXWNKOKUEHO-UHFFFAOYSA-N 0 0 184.189 1.533 10 0 ADAERN CC(C)C[C@@H](CC(=O)[O-])[NH2+]C(C)C 82291818 574003089 /nfs/dbraw/zinc/00/30/89/574003089.db2.gz XZTOYKQJEJSIIQ-VIFPVBQESA-N 0 0 187.283 1.874 10 0 ADAERN CO[C@H](C)c1ccc(CCON)cc1 258198808 574003104 /nfs/dbraw/zinc/00/31/04/574003104.db2.gz YDYAVXJMWJTYGT-SECBINFHSA-N 0 0 195.262 1.827 10 0 ADAERN Cc1ncnc(C)c1C(=O)NC(C)C 82298917 574003111 /nfs/dbraw/zinc/00/31/11/574003111.db2.gz UFRIXYOBIWTQFV-UHFFFAOYSA-N 0 0 193.250 1.232 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/nfs/dbraw/zinc/00/32/67/574003267.db2.gz GBJGCUATOASTRB-UHFFFAOYSA-N 0 0 192.266 1.439 10 0 ADAERN CCCNC(=O)c1c(C)ncnc1C 82298626 574003280 /nfs/dbraw/zinc/00/32/80/574003280.db2.gz DVITUBNDBUPIPD-UHFFFAOYSA-N 0 0 193.250 1.233 10 0 ADAERN Cc1ccc([C@H]([NH3+])C(C)(C)C(=O)[O-])o1 104488739 574003289 /nfs/dbraw/zinc/00/32/89/574003289.db2.gz QCGCNPYRDATMFQ-QMMMGPOBSA-N 0 0 197.234 1.699 10 0 ADAERN CCCNC(=O)c1cc(C)ccn1 82298488 574003296 /nfs/dbraw/zinc/00/32/96/574003296.db2.gz OYZZGUAJOVUWFV-UHFFFAOYSA-N 0 0 178.235 1.530 10 0 ADAERN C=Cc1cncc(C(=O)NCC)c1 209774920 574003307 /nfs/dbraw/zinc/00/33/07/574003307.db2.gz CMWUPYKLDNHIFJ-UHFFFAOYSA-N 0 0 176.219 1.474 10 0 ADAERN Cn1cncc1[C@H](O)c1ccco1 85171806 574003308 /nfs/dbraw/zinc/00/33/08/574003308.db2.gz JRVKQVIYWKFESF-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN CC(=O)[C@H](N)c1cc(F)cc(F)c1C 104487717 574003335 /nfs/dbraw/zinc/00/33/35/574003335.db2.gz TZPWVHVGVVQXEL-JTQLQIEISA-N 0 0 199.200 1.862 10 0 ADAERN CC[C@@H](C)OC(=O)[C@H]1CCCCN1 48265473 574003342 /nfs/dbraw/zinc/00/33/42/574003342.db2.gz SXJAFBREGOXRND-RKDXNWHRSA-N 0 0 185.267 1.470 10 0 ADAERN Cc1nc(-c2cncn2C)c(N)s1 85168622 574003391 /nfs/dbraw/zinc/00/33/91/574003391.db2.gz UHWJTHPHQYQOHM-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCC[C@]1(C)C(=O)CCC[C@@H]1O 238237220 574003392 /nfs/dbraw/zinc/00/33/92/574003392.db2.gz BOCCJIHMRIMGHV-WPRPVWTQSA-N 0 0 170.252 1.907 10 0 ADAERN O=c1[nH]ccn1-c1ccc(F)cc1F 87665580 574003411 /nfs/dbraw/zinc/00/34/11/574003411.db2.gz VPVOGLMHEWDQDV-UHFFFAOYSA-N 0 0 196.156 1.444 10 0 ADAERN CC[C@@H]([NH3+])c1c(F)cccc1C(=O)[O-] 104488691 574003429 /nfs/dbraw/zinc/00/34/29/574003429.db2.gz XAIRSRQTTUKTFK-MRVPVSSYSA-N 0 0 197.209 1.934 10 0 ADAERN CC[C@@H](C)NC(=O)c1oncc1C 82300161 574003443 /nfs/dbraw/zinc/00/34/43/574003443.db2.gz FVDPKQXVAZCWDH-SSDOTTSWSA-N 0 0 182.223 1.511 10 0 ADAERN O=c1[nH]ccn1C1CCCC1 87665576 574003445 /nfs/dbraw/zinc/00/34/45/574003445.db2.gz WDJDWONQWALVHH-UHFFFAOYSA-N 0 0 152.197 1.292 10 0 ADAERN Cn1cccc1CN1CC(F)(F)C1 585379648 574003454 /nfs/dbraw/zinc/00/34/54/574003454.db2.gz AQNICZFMZNOFKS-UHFFFAOYSA-N 0 0 186.205 1.476 10 0 ADAERN CCCCNC(=O)c1ncsc1C 82299524 574003455 /nfs/dbraw/zinc/00/34/55/574003455.db2.gz COUWTRYMGOQWQK-UHFFFAOYSA-N 0 0 198.291 1.981 10 0 ADAERN Cc1cc(F)ncc1[C@H]([NH3+])CC(=O)[O-] 104485890 574003459 /nfs/dbraw/zinc/00/34/59/574003459.db2.gz IEIVYULIZJHUNB-SSDOTTSWSA-N 0 0 198.197 1.004 10 0 ADAERN CC[C@]1(O)CCc2cc(N)ccc21 87654547 574003467 /nfs/dbraw/zinc/00/34/67/574003467.db2.gz XATIVUGUEKGYPG-NSHDSACASA-N 0 0 177.247 1.813 10 0 ADAERN Cc1ccc(C(C)C)n1NC(N)=O 238237669 574003469 /nfs/dbraw/zinc/00/34/69/574003469.db2.gz UJGKQOGOUHZUAD-UHFFFAOYSA-N 0 0 181.239 1.542 10 0 ADAERN CC[C@]1(C(N)=O)CCC[C@@H]1C 223722346 574003471 /nfs/dbraw/zinc/00/34/71/574003471.db2.gz RNEIPKLLJOBMCU-CBAPKCEASA-N 0 0 155.241 1.688 10 0 ADAERN C[C@@H](O)Cc1c(O)ccc2c1COC2 258198729 574003472 /nfs/dbraw/zinc/00/34/72/574003472.db2.gz 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/nfs/dbraw/zinc/00/35/31/574003531.db2.gz ZVZVZZQTZQNRKM-QMMMGPOBSA-N 0 0 197.234 1.262 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2COC[C@@H]2C1 259591441 574003533 /nfs/dbraw/zinc/00/35/33/574003533.db2.gz LJWTWEHWDXXLAT-HLTSFMKQSA-N 0 0 184.235 1.222 10 0 ADAERN CC(C)C[C@H](C[NH3+])CCC(=O)[O-] 82291749 574003556 /nfs/dbraw/zinc/00/35/56/574003556.db2.gz XZJCLSJTTJPNPE-MRVPVSSYSA-N 0 0 173.256 1.472 10 0 ADAERN CC1(CO)COC2(CCCC2)OC1 238237561 574003570 /nfs/dbraw/zinc/00/35/70/574003570.db2.gz KWZAIOPDEGFTLM-UHFFFAOYSA-N 0 0 186.251 1.302 10 0 ADAERN CCC[C@H]1O[C@]1(C)C(C)=O 238238027 574003576 /nfs/dbraw/zinc/00/35/76/574003576.db2.gz QMNWULJOYFQICM-HTQZYQBOSA-N 0 0 142.198 1.533 10 0 ADAERN Cc1cc(C(=O)[O-])c(F)cc1[C@@H](C)[NH3+] 104485647 574003577 /nfs/dbraw/zinc/00/35/77/574003577.db2.gz JJHBNHBACMJAFG-ZCFIWIBFSA-N 0 0 197.209 1.852 10 0 ADAERN CCCCNC1=CC(=S)NC[C@H]1C 238237389 574003608 /nfs/dbraw/zinc/00/36/08/574003608.db2.gz PMQYWTJKNKSSKX-MRVPVSSYSA-N 0 0 198.335 1.827 10 0 ADAERN Cc1cnc(-c2c(N)c(C)nn2C)o1 85167178 574003583 /nfs/dbraw/zinc/00/35/83/574003583.db2.gz WBAXLUGSZROXAP-UHFFFAOYSA-N 0 0 192.222 1.274 10 0 ADAERN CC1(C)CC(CCCO)=C[C@H](O)C1 238238864 574003588 /nfs/dbraw/zinc/00/35/88/574003588.db2.gz MMTFXBBBCQDKJY-JTQLQIEISA-N 0 0 184.279 1.866 10 0 ADAERN Cc1n[nH]cc1[C@H]1CCCCCN1N 74246055 574003606 /nfs/dbraw/zinc/00/36/06/574003606.db2.gz IXGHIVMJKPONSW-SNVBAGLBSA-N 0 0 194.282 1.509 10 0 ADAERN Nc1cccc([C@@H](N)C(F)(F)F)n1 104485550 574003624 /nfs/dbraw/zinc/00/36/24/574003624.db2.gz STEWLSAHFHOAMI-ZCFIWIBFSA-N 0 0 191.156 1.226 10 0 ADAERN CC1(C)C[C@@H](CC(N)=O)CCO1 238237313 574003639 /nfs/dbraw/zinc/00/36/39/574003639.db2.gz ZEVFSXDAZCWDCY-SSDOTTSWSA-N 0 0 171.240 1.067 10 0 ADAERN CC[C@H](C)[NH2+][C@@H](CC)CC(=O)[O-] 128026727 574003725 /nfs/dbraw/zinc/00/37/25/574003725.db2.gz VARCHBRFGNRKRX-YUMQZZPRSA-N 0 0 173.256 1.628 10 0 ADAERN [NH3+][C@H]1COc2c1cc(F)c([O-])c2F 104488111 574006666 /nfs/dbraw/zinc/00/66/66/574006666.db2.gz QEOLRYONQQOBNJ-YFKPBYRVSA-N 0 0 187.145 1.063 10 0 ADAERN C=Cc1ncc(OCC)cc1N 209778529 574004683 /nfs/dbraw/zinc/00/46/83/574004683.db2.gz DFBLKPKIFREZHU-UHFFFAOYSA-N 0 0 164.208 1.706 10 0 ADAERN CC1(C)C[C@H](O)[C@H]2CC[C@@H]21 238240282 574004689 /nfs/dbraw/zinc/00/46/89/574004689.db2.gz VEKOBCPPFDMXAH-FXQIFTODSA-N 0 0 140.226 1.803 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cncn1C1CC1 85189757 574004714 /nfs/dbraw/zinc/00/47/14/574004714.db2.gz MNJBVIBHPMQCME-VHSXEESVSA-N 0 0 190.246 1.911 10 0 ADAERN CC[C@H](C)NC(=O)c1ccncc1O 82300374 574004468 /nfs/dbraw/zinc/00/44/68/574004468.db2.gz NHCAGLLHGKYOIK-ZETCQYMHSA-N 0 0 194.234 1.316 10 0 ADAERN COCC(=O)N1CC[C@@H]2CCCC[C@H]21 111248939 574004490 /nfs/dbraw/zinc/00/44/90/574004490.db2.gz DVUZGOIEOMTPMJ-VHSXEESVSA-N 0 0 197.278 1.424 10 0 ADAERN CC[C@H]([NH3+])c1cscc1C(=O)[O-] 104486510 574004492 /nfs/dbraw/zinc/00/44/92/574004492.db2.gz ZNCCKWZICVNUGB-ZETCQYMHSA-N 0 0 185.248 1.856 10 0 ADAERN CCn1cncc1[C@@H]1C[C@H](O)CCO1 85185556 574004546 /nfs/dbraw/zinc/00/45/46/574004546.db2.gz JIGHSQMTCDZOFB-SCZZXKLOSA-N 0 0 196.250 1.115 10 0 ADAERN CCNc1cncc(N(C)C2CC2)n1 82304093 574004551 /nfs/dbraw/zinc/00/45/51/574004551.db2.gz OAZYPLQVYMSZIY-UHFFFAOYSA-N 0 0 192.266 1.507 10 0 ADAERN CC(C)(C)NC(=O)c1ccncc1O 82317169 574004578 /nfs/dbraw/zinc/00/45/78/574004578.db2.gz MTAOYKHXWVTTBZ-UHFFFAOYSA-N 0 0 194.234 1.316 10 0 ADAERN CCc1c(F)cccc1[C@H]([NH3+])C(=O)[O-] 104485637 574004598 /nfs/dbraw/zinc/00/45/98/574004598.db2.gz PHAVSIKLATXDLR-VIFPVBQESA-N 0 0 197.209 1.473 10 0 ADAERN CCNc1cncc(NC(C)C)n1 82304034 574004619 /nfs/dbraw/zinc/00/46/19/574004619.db2.gz VJEGVKAYVMVNFB-UHFFFAOYSA-N 0 0 180.255 1.729 10 0 ADAERN C=Cc1cc(N)cnc1OCC 209776964 574004621 /nfs/dbraw/zinc/00/46/21/574004621.db2.gz DEPGQMVBGBWBME-UHFFFAOYSA-N 0 0 164.208 1.706 10 0 ADAERN Cc1cc([C@@](C)([NH3+])CC(=O)[O-])oc1C 104488797 574004632 /nfs/dbraw/zinc/00/46/32/574004632.db2.gz UVBHIAMJRBTRHB-JTQLQIEISA-N 0 0 197.234 1.545 10 0 ADAERN 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/nfs/dbraw/zinc/00/61/01/574006101.db2.gz CHLUNXIHYCRRKN-UHFFFAOYSA-N 0 0 184.264 1.580 10 0 ADAERN CC1(C)C[C@H](O)[C@@H]2CC[C@@H]21 238240094 574006765 /nfs/dbraw/zinc/00/67/65/574006765.db2.gz VEKOBCPPFDMXAH-CSMHCCOUSA-N 0 0 140.226 1.803 10 0 ADAERN C[C@@H](C(=O)c1ccc(O)cc1)N(C)C 223727658 574006024 /nfs/dbraw/zinc/00/60/24/574006024.db2.gz SAQRNHLXTWPPKZ-QMMMGPOBSA-N 0 0 193.246 1.525 10 0 ADAERN CC1(O)C=CC2(C=C1)CCC[C@H](O)C2 238239416 574006040 /nfs/dbraw/zinc/00/60/40/574006040.db2.gz PMFRFAPTIRWDFS-UNXYVOJBSA-N 0 0 194.274 1.785 10 0 ADAERN CC(=O)[C@H](N)c1cc2ccccc2[nH]1 104488257 574006117 /nfs/dbraw/zinc/00/61/17/574006117.db2.gz RDJFCDLVIBJHLJ-NSHDSACASA-N 0 0 188.230 1.757 10 0 ADAERN C=Cc1ccc(N)nc1CC 209769534 574006042 /nfs/dbraw/zinc/00/60/42/574006042.db2.gz PBBORFLPTLACLN-UHFFFAOYSA-N 0 0 148.209 1.869 10 0 ADAERN CC1(C)C[C@H](O)C[C@H]2OC(=O)C[C@@]21C 238240003 574006050 /nfs/dbraw/zinc/00/60/50/574006050.db2.gz QSPPLEHHCRPDJZ-XLDPMVHQSA-N 0 0 198.262 1.489 10 0 ADAERN 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ADAERN C[C@H](C(N)=O)C1=CCCCC1 223725764 574006126 /nfs/dbraw/zinc/00/61/26/574006126.db2.gz IGVPCWLSYSOKHE-ZETCQYMHSA-N 0 0 153.225 1.608 10 0 ADAERN CCC(=O)c1cc(C(C)=O)[nH]n1 238239772 574006135 /nfs/dbraw/zinc/00/61/35/574006135.db2.gz ROVSOVLKCXZPGG-UHFFFAOYSA-N 0 0 166.180 1.205 10 0 ADAERN Cc1cnoc1C(=O)NCCC(C)C 82317712 574006143 /nfs/dbraw/zinc/00/61/43/574006143.db2.gz IQMURQBGBZMQPR-UHFFFAOYSA-N 0 0 196.250 1.759 10 0 ADAERN CC1=CC[C@@]2(CC1)C(=O)CC[C@@H]2O 238245471 574006771 /nfs/dbraw/zinc/00/67/71/574006771.db2.gz BQXGLCFWHHHEHZ-ONGXEEELSA-N 0 0 180.247 1.827 10 0 ADAERN O=C1N[C@H](C[C@@H]2CCCCO2)CO1 258199043 574006159 /nfs/dbraw/zinc/00/61/59/574006159.db2.gz FTFXZAWGYSLMFM-SFYZADRCSA-N 0 0 185.223 1.054 10 0 ADAERN Cc1ncnc(N2CC(F)(F)C2)c1C 585379739 574006173 /nfs/dbraw/zinc/00/61/73/574006173.db2.gz BTRHDZMYTPBYRI-UHFFFAOYSA-N 0 0 199.204 1.549 10 0 ADAERN c1ccc2c(c1)NC[C@H]2c1nnc[nH]1 87655649 574006183 /nfs/dbraw/zinc/00/61/83/574006183.db2.gz 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/nfs/dbraw/zinc/01/57/77/574015777.db2.gz NCGJDSJSQMNEQY-ZETCQYMHSA-N 0 0 161.151 1.719 10 0 ADAERN CNCC(=O)O[C@@H](C)c1ccccc1 48635508 574015801 /nfs/dbraw/zinc/01/58/01/574015801.db2.gz VTNPGVJUENUOTA-VIFPVBQESA-N 0 0 193.246 1.510 10 0 ADAERN C/C=C/C(=O)N[C@H](C)[C@H]1CCCO1 85210570 574015806 /nfs/dbraw/zinc/01/58/06/574015806.db2.gz OJLAWEKBBVFLMA-ZZDZINKYSA-N 0 0 183.251 1.246 10 0 ADAERN CC(=O)[C@@H](N)c1cnc(Cl)cc1C 104501936 574015808 /nfs/dbraw/zinc/01/58/08/574015808.db2.gz BRTDNYBCMMIYQU-SECBINFHSA-N 0 0 198.653 1.632 10 0 ADAERN CC(C)C[C@@H](C)OC(=O)[C@H](C)N 48632435 574015815 /nfs/dbraw/zinc/01/58/15/574015815.db2.gz OEMFVPHMHGEUQG-SFYZADRCSA-N 0 0 173.256 1.311 10 0 ADAERN CCn1cc([C@@H](O)C[C@H](C)OC)cn1 128059695 574015831 /nfs/dbraw/zinc/01/58/31/574015831.db2.gz UABBHRSWUFENMF-WPRPVWTQSA-N 0 0 198.266 1.361 10 0 ADAERN C[C@@](N)(c1nccs1)C(F)F 87688147 574015833 /nfs/dbraw/zinc/01/58/33/574015833.db2.gz BZKCPNIZZIDSPD-LURJTMIESA-N 0 0 178.207 1.582 10 0 ADAERN CCn1cc([C@H](O)C[C@@H](C)OC)cn1 128059068 574015841 /nfs/dbraw/zinc/01/58/41/574015841.db2.gz UABBHRSWUFENMF-PSASIEDQSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1ccc([C@@](C)([NH3+])C(=O)[O-])s1 104502240 574015847 /nfs/dbraw/zinc/01/58/47/574015847.db2.gz ASNUXOWZPQLDAW-MRVPVSSYSA-N 0 0 185.248 1.315 10 0 ADAERN CC[C@H](C)[C@@H](O)C[C@@H](C)OC 128082054 574015852 /nfs/dbraw/zinc/01/58/52/574015852.db2.gz ONLRXFSMNBWXLM-YIZRAAEISA-N 0 0 160.257 1.818 10 0 ADAERN Cc1ncccc1[C@]1(O)CO[C@H](C)C1 715221808 574016219 /nfs/dbraw/zinc/01/62/19/574016219.db2.gz SCLPYZCAJNNMMC-LDYMZIIASA-N 0 0 193.246 1.386 10 0 ADAERN C[C@@](O)(c1ccc(O)cc1)C(F)F 87687847 574015866 /nfs/dbraw/zinc/01/58/66/574015866.db2.gz KHWINJUARQEPRG-SECBINFHSA-N 0 0 188.173 1.865 10 0 ADAERN Cc1ccc2c(c1)CC[C@]2([NH3+])C(=O)[O-] 104502639 574015874 /nfs/dbraw/zinc/01/58/74/574015874.db2.gz WUXNFUYQZRUKPR-LLVKDONJSA-N 0 0 191.230 1.180 10 0 ADAERN OCc1cncn1C1CCC1 85215706 574015877 /nfs/dbraw/zinc/01/58/77/574015877.db2.gz 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/nfs/dbraw/zinc/01/59/46/574015946.db2.gz VLGXUCLVTJSTQV-UHFFFAOYSA-N 0 0 165.183 1.020 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)nc(Cl)c1 104501951 574015953 /nfs/dbraw/zinc/01/59/53/574015953.db2.gz SXWKEKCUFPLEMI-VIFPVBQESA-N 0 0 198.653 1.632 10 0 ADAERN Cc1nnc(N2C3CCC2CC3)s1 585384316 574016226 /nfs/dbraw/zinc/01/62/26/574016226.db2.gz VPVLIJPFOFVBCJ-UHFFFAOYSA-N 0 0 195.291 1.978 10 0 ADAERN CC[C@@H]([NH3+])c1ccsc1C(=O)[O-] 104503265 574015964 /nfs/dbraw/zinc/01/59/64/574015964.db2.gz QGAYSUDBZCUZEB-ZCFIWIBFSA-N 0 0 185.248 1.856 10 0 ADAERN Cc1cc(F)c2c(c1)[C@H](O)C(=O)N2 104502740 574016010 /nfs/dbraw/zinc/01/60/10/574016010.db2.gz QJMJMJCKZLVNDS-QMMMGPOBSA-N 0 0 181.166 1.120 10 0 ADAERN CCN[C@]1(C(F)F)CCOC1 87688848 574016014 /nfs/dbraw/zinc/01/60/14/574016014.db2.gz JJOQKYCMPNKWAM-SSDOTTSWSA-N 0 0 165.183 1.020 10 0 ADAERN Cc1cc(-c2n[nH]c(C(C)C)n2)no1 85222154 574016017 /nfs/dbraw/zinc/01/60/17/574016017.db2.gz OFCBZJPMJWRVNM-UHFFFAOYSA-N 0 0 192.222 1.892 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(F)cc1C(=O)[O-] 104499700 574016018 /nfs/dbraw/zinc/01/60/18/574016018.db2.gz SULRZIZVYZDDRG-SECBINFHSA-N 0 0 197.209 1.934 10 0 ADAERN C[C@@](N)(c1cccnc1)C(F)F 87688131 574016019 /nfs/dbraw/zinc/01/60/19/574016019.db2.gz JRMSDLIALVGZOT-MRVPVSSYSA-N 0 0 172.178 1.521 10 0 ADAERN [NH3+][C@@H]1CCc2c(cccc2C(=O)[O-])C1 104500688 574016020 /nfs/dbraw/zinc/01/60/20/574016020.db2.gz SMBURHBPRBZNTQ-MRVPVSSYSA-N 0 0 191.230 1.201 10 0 ADAERN CN[C@@]1(C(F)F)CCO[C@@H](C)C1 87688737 574016036 /nfs/dbraw/zinc/01/60/36/574016036.db2.gz IVJPRZPMMYARCL-XPUUQOCRSA-N 0 0 179.210 1.409 10 0 ADAERN CC(=O)[C@@H](N)c1cc(C)nc(Cl)c1 104501947 574016038 /nfs/dbraw/zinc/01/60/38/574016038.db2.gz SXWKEKCUFPLEMI-SECBINFHSA-N 0 0 198.653 1.632 10 0 ADAERN C[C@H]1CCC[C@H]1n1cncc1CO 85215813 574016074 /nfs/dbraw/zinc/01/60/74/574016074.db2.gz HXDHFQFLBSCAKE-WCBMZHEXSA-N 0 0 180.251 1.737 10 0 ADAERN Cc1ccc2c(c1C)NC(=O)[C@@H]2O 104502775 574016079 /nfs/dbraw/zinc/01/60/79/574016079.db2.gz UYBVJIVLQNMPSP-SECBINFHSA-N 0 0 177.203 1.289 10 0 ADAERN C[C@@H]1CC(=O)N[C@H]1c1cccnc1 211426498 574016231 /nfs/dbraw/zinc/01/62/31/574016231.db2.gz RRFFSWWLSZZICY-GMSGAONNSA-N 0 0 176.219 1.279 10 0 ADAERN C[C@](O)(c1cccc(O)c1)C(F)F 87687749 574016090 /nfs/dbraw/zinc/01/60/90/574016090.db2.gz JKFPDCRCOVBDFJ-VIFPVBQESA-N 0 0 188.173 1.865 10 0 ADAERN CC(=O)[C@H](N)c1ccc(Cl)cc1N 104500888 574016091 /nfs/dbraw/zinc/01/60/91/574016091.db2.gz GBDYPKUERZRSOF-VIFPVBQESA-N 0 0 198.653 1.511 10 0 ADAERN CC(=O)[C@H](N)c1cnc(Cl)cc1C 104501941 574016101 /nfs/dbraw/zinc/01/61/01/574016101.db2.gz BRTDNYBCMMIYQU-VIFPVBQESA-N 0 0 198.653 1.632 10 0 ADAERN Cc1noc2c(F)cc(N)cc12 259274085 574016117 /nfs/dbraw/zinc/01/61/17/574016117.db2.gz BWIUQVUKANFWKR-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1cccs1 104500043 574016118 /nfs/dbraw/zinc/01/61/18/574016118.db2.gz DTNBVGMAIKQCCV-SSDOTTSWSA-N 0 0 199.275 1.859 10 0 ADAERN Cc1cccc2c1[C@]([NH3+])(C(=O)[O-])CC2 104502661 574016122 /nfs/dbraw/zinc/01/61/22/574016122.db2.gz BSQJHQGQHIRCNJ-NSHDSACASA-N 0 0 191.230 1.180 10 0 ADAERN [O-]c1c(F)cc([C@@H]2CC[NH2+]2)cc1F 104505040 574019576 /nfs/dbraw/zinc/01/95/76/574019576.db2.gz LTCQSYYRUQADDG-QMMMGPOBSA-N 0 0 185.173 1.705 10 0 ADAERN c1nc(CN2C3CCC2CC3)no1 585383388 574017260 /nfs/dbraw/zinc/01/72/60/574017260.db2.gz DRCBNILEBCIBMN-UHFFFAOYSA-N 0 0 179.223 1.196 10 0 ADAERN CCOC(=O)N[C@H]1C[C@H]2CC[C@@H]1O2 87689844 574017662 /nfs/dbraw/zinc/01/76/62/574017662.db2.gz DJZIKKVPKWVRNA-CSMHCCOUSA-N 0 0 185.223 1.052 10 0 ADAERN O=C([O-])c1sccc1[C@@H]1CCC[NH2+]1 104499765 574017663 /nfs/dbraw/zinc/01/76/63/574017663.db2.gz ORBJSQCVITVELI-ZETCQYMHSA-N 0 0 197.259 1.871 10 0 ADAERN OCc1nc([C@H]2CCCS2)no1 87716914 574019581 /nfs/dbraw/zinc/01/95/81/574019581.db2.gz SCANDRJBZFIEHG-RXMQYKEDSA-N 0 0 186.236 1.130 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]([NH3+])c1ccc[nH]1 259276333 574021120 /nfs/dbraw/zinc/02/11/20/574021120.db2.gz JBHMCNWOHSUUQC-IMTBSYHQSA-N 0 0 182.223 1.125 10 0 ADAERN CCN1C(=O)CN(C)c2ccccc21 259273391 574017170 /nfs/dbraw/zinc/01/71/70/574017170.db2.gz KAJKHDDBYLBOHP-UHFFFAOYSA-N 0 0 190.246 1.489 10 0 ADAERN CO[C@@H](C)C[C@H](O)c1cncc(C)c1 128052793 574017019 /nfs/dbraw/zinc/01/70/19/574017019.db2.gz FFRPFHVPPGYOTC-ONGXEEELSA-N 0 0 195.262 1.848 10 0 ADAERN Cc1nccnc1N1C2CCC1CC2 585384254 574017020 /nfs/dbraw/zinc/01/70/20/574017020.db2.gz UYMNWJVCXYHTAW-UHFFFAOYSA-N 0 0 189.262 1.916 10 0 ADAERN Cc1cncc([C@H](N)C(F)(F)F)c1 104500536 574017024 /nfs/dbraw/zinc/01/70/24/574017024.db2.gz SCTQVXCUXKXUPW-ZETCQYMHSA-N 0 0 190.168 1.952 10 0 ADAERN CC(=O)[C@@H](N)c1ccc2c(c1)CCC2 104500480 574017039 /nfs/dbraw/zinc/01/70/39/574017039.db2.gz XJDFGSZVSYHRCT-GFCCVEGCSA-N 0 0 189.258 1.764 10 0 ADAERN Cc1cccc2c1[C@@]([NH3+])(C(=O)[O-])CC2 104502667 574017043 /nfs/dbraw/zinc/01/70/43/574017043.db2.gz BSQJHQGQHIRCNJ-LLVKDONJSA-N 0 0 191.230 1.180 10 0 ADAERN CN(C)CC(=O)c1c(O)cccc1F 104503863 574017056 /nfs/dbraw/zinc/01/70/56/574017056.db2.gz TXUADEAXFJJHQP-UHFFFAOYSA-N 0 0 197.209 1.276 10 0 ADAERN Cc1cc(-c2nnc(N)s2)no1 85222123 574017059 /nfs/dbraw/zinc/01/70/59/574017059.db2.gz OZQJIMCJAZEQKR-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1cc(C2N=NC(=S)N2)no1 85222185 574017070 /nfs/dbraw/zinc/01/70/70/574017070.db2.gz USWJTFJSMIWASF-UHFFFAOYSA-N 0 0 182.208 1.057 10 0 ADAERN CC(=O)[C@H](N)c1ccc(N)c(Cl)c1 104499934 574017083 /nfs/dbraw/zinc/01/70/83/574017083.db2.gz ICEPPHBVNIOCKT-VIFPVBQESA-N 0 0 198.653 1.511 10 0 ADAERN CC(=O)[C@H](N)c1ccc(N)cc1Cl 104499946 574017092 /nfs/dbraw/zinc/01/70/92/574017092.db2.gz HWYDVOVXFWQZAR-VIFPVBQESA-N 0 0 198.653 1.511 10 0 ADAERN Cc1nc(F)ccc1[C@@H]([NH3+])CC(=O)[O-] 104502923 574017107 /nfs/dbraw/zinc/01/71/07/574017107.db2.gz CKMLVWPUPBSUGV-ZETCQYMHSA-N 0 0 198.197 1.004 10 0 ADAERN CCOc1cccc2c1NC(=O)[C@@H]2O 104502955 574017108 /nfs/dbraw/zinc/01/71/08/574017108.db2.gz DIRCWDKGIOWXRY-SECBINFHSA-N 0 0 193.202 1.071 10 0 ADAERN Cc1ncccc1[C@]1(O)CO[C@@H](C)C1 715221787 574017115 /nfs/dbraw/zinc/01/71/15/574017115.db2.gz SCLPYZCAJNNMMC-GZMMTYOYSA-N 0 0 193.246 1.386 10 0 ADAERN CO[C@H]1CCC[C@H]1n1cncc1CO 85215666 574017128 /nfs/dbraw/zinc/01/71/28/574017128.db2.gz GTQGVMPGGHXXSF-ZJUUUORDSA-N 0 0 196.250 1.115 10 0 ADAERN CO[C@@H]1CCC[C@@H]1n1cncc1CO 85215658 574017175 /nfs/dbraw/zinc/01/71/75/574017175.db2.gz GTQGVMPGGHXXSF-VHSXEESVSA-N 0 0 196.250 1.115 10 0 ADAERN O=C(c1cnccn1)[C@@H]1CCCS1 87701497 574017182 /nfs/dbraw/zinc/01/71/82/574017182.db2.gz DFXFZKYNRUBZDP-QMMMGPOBSA-N 0 0 194.259 1.555 10 0 ADAERN Cc1c([C@@H]2CC[NH2+]2)csc1C(=O)[O-] 104500800 574017190 /nfs/dbraw/zinc/01/71/90/574017190.db2.gz SLAFHKRIIQKFEW-ZETCQYMHSA-N 0 0 197.259 1.789 10 0 ADAERN Nc1c(F)cc2c(c1F)OCCC2=O 104499962 574017231 /nfs/dbraw/zinc/01/72/31/574017231.db2.gz QQVWDEKFBSZHLJ-UHFFFAOYSA-N 0 0 199.156 1.512 10 0 ADAERN Cc1cc(=O)n(C2CCCC2)nc1C 585384544 574017234 /nfs/dbraw/zinc/01/72/34/574017234.db2.gz 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JZTSHHBEVTZIID-RQJHMYQMSA-N 0 0 185.202 1.050 10 0 ADAERN [NH3+]Cc1ccc2c(c1)C(=O)CCO2 104506168 574019467 /nfs/dbraw/zinc/01/94/67/574019467.db2.gz LNRWNCIKNUJIEZ-UHFFFAOYSA-N 0 0 177.203 1.111 10 0 ADAERN O=C1CCc2cc3c(cc21)C(=O)OC3 104508746 574019542 /nfs/dbraw/zinc/01/95/42/574019542.db2.gz HAKPKIPDGOSQQJ-UHFFFAOYSA-N 0 0 188.182 1.486 10 0 ADAERN Cc1cc(=O)n(C2CCCC2)c(C)n1 585385323 574021209 /nfs/dbraw/zinc/02/12/09/574021209.db2.gz XTKJJNBNBXWZJL-UHFFFAOYSA-N 0 0 192.262 1.975 10 0 ADAERN Cn1cc([C@H](O)[C@@H]2CCCS2)cn1 87703655 574021218 /nfs/dbraw/zinc/02/12/18/574021218.db2.gz LWRBOJDUDRHKPZ-IUCAKERBSA-N 0 0 198.291 1.349 10 0 ADAERN Cn1ccc(CN[C@@H]2CCC[C@H]2F)n1 585385835 574021225 /nfs/dbraw/zinc/02/12/25/574021225.db2.gz IDMJLDTWDFPOMH-NXEZZACHSA-N 0 0 197.257 1.400 10 0 ADAERN C[C@H](ON)c1ccc(Cl)o1 259276344 574021247 /nfs/dbraw/zinc/02/12/47/574021247.db2.gz ADYYBYFASMVQCX-BYPYZUCNSA-N 0 0 161.588 1.884 10 0 ADAERN COC(=N)[C@H]1CCCS1 87714807 574021143 /nfs/dbraw/zinc/02/11/43/574021143.db2.gz OTDAAVFSBCGCKQ-RXMQYKEDSA-N 0 0 145.227 1.506 10 0 ADAERN CNc1nc([C@@H]2CCCS2)no1 87716026 574021301 /nfs/dbraw/zinc/02/13/01/574021301.db2.gz ABXBDAVEPCMIMI-YFKPBYRVSA-N 0 0 185.252 1.679 10 0 ADAERN OCc1c[nH]c([C@H]2CCCS2)n1 87716514 574021303 /nfs/dbraw/zinc/02/13/03/574021303.db2.gz TYQAWKIDERFSRJ-SSDOTTSWSA-N 0 0 184.264 1.470 10 0 ADAERN COc1cc(C)cc2c1C(=O)CCO2 104508025 574021003 /nfs/dbraw/zinc/02/10/03/574021003.db2.gz LGJYCMXLDPAWPI-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN O[C@@H](c1cnccn1)[C@H]1CCCS1 87703682 574021016 /nfs/dbraw/zinc/02/10/16/574021016.db2.gz HBJUAEZSNDTBHU-BDAKNGLRSA-N 0 0 196.275 1.406 10 0 ADAERN O[C@@H](c1cnccn1)[C@@H]1CCCS1 87703679 574021018 /nfs/dbraw/zinc/02/10/18/574021018.db2.gz HBJUAEZSNDTBHU-IUCAKERBSA-N 0 0 196.275 1.406 10 0 ADAERN CCCc1cc(=O)[nH]n1C 258524210 574021020 /nfs/dbraw/zinc/02/10/20/574021020.db2.gz MOTLNRBZJFWNRK-UHFFFAOYSA-N 0 0 140.186 1.078 10 0 ADAERN Cc1cc(CN[C@@H]2CCC[C@@H]2F)on1 585385790 574021025 /nfs/dbraw/zinc/02/10/25/574021025.db2.gz GWXPLBSMGIMZPZ-VHSXEESVSA-N 0 0 198.241 1.963 10 0 ADAERN Clc1ccncc1[C@@H]1COCCN1 104504827 574021027 /nfs/dbraw/zinc/02/10/27/574021027.db2.gz BOVYHRAAAIVBJB-VIFPVBQESA-N 0 0 198.653 1.396 10 0 ADAERN CO[C@H](C)C[C@@H](O)Cc1ccccn1 128146424 574021028 /nfs/dbraw/zinc/02/10/28/574021028.db2.gz CYXFFVJPPFGQFT-MWLCHTKSSA-N 0 0 195.262 1.410 10 0 ADAERN NNc1ccnc([C@H]2CCCS2)n1 87715886 574021031 /nfs/dbraw/zinc/02/10/31/574021031.db2.gz JZJAETCRFZGOAI-ZCFIWIBFSA-N 0 0 196.279 1.330 10 0 ADAERN CC(=O)[C@@H](N)c1ccc2c(c1)CCN2 104504530 574021034 /nfs/dbraw/zinc/02/10/34/574021034.db2.gz HPQHDJDZXZQEKE-LLVKDONJSA-N 0 0 190.246 1.243 10 0 ADAERN Cc1cc(=O)n(CC(F)(F)F)cn1 585385110 574021037 /nfs/dbraw/zinc/02/10/37/574021037.db2.gz PAUQUQAKURABHB-UHFFFAOYSA-N 0 0 192.140 1.114 10 0 ADAERN CCCN(CCO)c1ccccc1N 48921626 574021061 /nfs/dbraw/zinc/02/10/61/574021061.db2.gz SVMBIFOCMYLEMW-UHFFFAOYSA-N 0 0 194.278 1.478 10 0 ADAERN Cc1ocnc1CN[C@H]1CCC[C@@H]1F 585385600 574021065 /nfs/dbraw/zinc/02/10/65/574021065.db2.gz DKGMKODKEMZACH-IUCAKERBSA-N 0 0 198.241 1.963 10 0 ADAERN C[C@@H](ON)c1ccc(Cl)o1 259276347 574021070 /nfs/dbraw/zinc/02/10/70/574021070.db2.gz ADYYBYFASMVQCX-SCSAIBSYSA-N 0 0 161.588 1.884 10 0 ADAERN O=Cc1nc([C@@H]2CCCS2)no1 87716747 574021072 /nfs/dbraw/zinc/02/10/72/574021072.db2.gz NQOMIUALJRFVJU-YFKPBYRVSA-N 0 0 184.220 1.450 10 0 ADAERN Nc1cccc(C2=CCOC2)c1 258524225 574021137 /nfs/dbraw/zinc/02/11/37/574021137.db2.gz MOVGHZXFWCFHJT-UHFFFAOYSA-N 0 0 161.204 1.682 10 0 ADAERN [NH3+]Cc1c[nH]c([C@@H]2CCCCS2)n1 87716541 574021151 /nfs/dbraw/zinc/02/11/51/574021151.db2.gz SJIOSCXWVNSZEN-QMMMGPOBSA-N 0 0 197.307 1.827 10 0 ADAERN COC[C@@H](O)[C@H]1CCCCS1 87704842 574021164 /nfs/dbraw/zinc/02/11/64/574021164.db2.gz YAJVTWMCTWOILI-HTQZYQBOSA-N 0 0 176.281 1.279 10 0 ADAERN Cc1noc(CN[C@@H]2CCC[C@@H]2F)n1 585386292 574021165 /nfs/dbraw/zinc/02/11/65/574021165.db2.gz XSIMYRPHDPKQGL-JGVFFNPUSA-N 0 0 199.229 1.358 10 0 ADAERN CO[C@@H](C)C[C@H](O)CC(C)C 128154994 574021167 /nfs/dbraw/zinc/02/11/67/574021167.db2.gz DTTKIIVLNLUVKM-DTWKUNHWSA-N 0 0 160.257 1.818 10 0 ADAERN COC(=O)/C(C)=C\CC(C)=O 78741680 574021177 /nfs/dbraw/zinc/02/11/77/574021177.db2.gz MVTLUUHXTGDWHQ-XQRVVYSFSA-N 0 0 156.181 1.085 10 0 ADAERN Cc1noc(CN[C@@H]2CCC[C@H]2F)n1 585386291 574021181 /nfs/dbraw/zinc/02/11/81/574021181.db2.gz XSIMYRPHDPKQGL-HTQZYQBOSA-N 0 0 199.229 1.358 10 0 ADAERN Cc1ccc(CCON)cc1N(C)C 259274277 574021195 /nfs/dbraw/zinc/02/11/95/574021195.db2.gz BAYHLNOSOAFSNK-UHFFFAOYSA-N 0 0 194.278 1.494 10 0 ADAERN Nc1cccc(NC[C@@H]2CCOC2)[nH+]1 87726030 574022161 /nfs/dbraw/zinc/02/21/61/574022161.db2.gz XIHRGELGSKJKKY-QMMMGPOBSA-N 0 0 193.250 1.112 10 0 ADAERN O=Cc1ccc([C@@H]2CCCC[NH2+]2)cn1 104516482 574022170 /nfs/dbraw/zinc/02/21/70/574022170.db2.gz VZUIHVLBEKJZFX-NSHDSACASA-N 0 0 190.246 1.709 10 0 ADAERN C[C@@H](O)c1cccc(CCO)c1 259278085 574022174 /nfs/dbraw/zinc/02/21/74/574022174.db2.gz BJQRACKDHYJUDS-MRVPVSSYSA-N 0 0 166.220 1.275 10 0 ADAERN O=Cc1c[nH]c([C@H]2CCCS2)n1 87717229 574022185 /nfs/dbraw/zinc/02/21/85/574022185.db2.gz DGNUBTASXLDXQS-SSDOTTSWSA-N 0 0 182.248 1.790 10 0 ADAERN C[C@@H]1CN(c2cccc(N)[nH+]2)C[C@@H]1C 87731544 574023453 /nfs/dbraw/zinc/02/34/53/574023453.db2.gz BZTPSNLWAJCRGI-DTORHVGOSA-N 0 0 191.278 1.756 10 0 ADAERN O[C@@H]1CCCN(c2cccc(F)c2)C1 259278476 574023466 /nfs/dbraw/zinc/02/34/66/574023466.db2.gz KHGLOSXZGLBNHR-LLVKDONJSA-N 0 0 195.237 1.787 10 0 ADAERN CCN(c1cncc(N)n1)C(C)C 87724733 574023473 /nfs/dbraw/zinc/02/34/73/574023473.db2.gz LENHREFIXZRUPF-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN CCC(C)(C)Oc1cncc(N)n1 87725158 574023477 /nfs/dbraw/zinc/02/34/77/574023477.db2.gz HHZLWHPPCLTQKV-UHFFFAOYSA-N 0 0 181.239 1.626 10 0 ADAERN C[C@@H]1CCN(c2cccc(N)[nH+]2)C1 87727081 574023016 /nfs/dbraw/zinc/02/30/16/574023016.db2.gz HSBDXSJTCIWGMS-MRVPVSSYSA-N 0 0 177.251 1.510 10 0 ADAERN Cc1cccn2c(CO)ncc12 258524338 574023026 /nfs/dbraw/zinc/02/30/26/574023026.db2.gz MTGRPQJQFNGTBE-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cc1cnc(N)c([C@@H]2CCCC[NH2+]2)c1 104515029 574023043 /nfs/dbraw/zinc/02/30/43/574023043.db2.gz KYHKSOZTJLDPDS-JTQLQIEISA-N 0 0 191.278 1.787 10 0 ADAERN C[C@@H](O)COc1ccc2[nH]ccc2c1 87723382 574023053 /nfs/dbraw/zinc/02/30/53/574023053.db2.gz GPHHZJBYLMEDNU-MRVPVSSYSA-N 0 0 191.230 1.928 10 0 ADAERN Nc1cncc(OCc2ccco2)n1 87725180 574023064 /nfs/dbraw/zinc/02/30/64/574023064.db2.gz KWNIUMHGIIIAEE-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN [NH3+][C@@H]1CCc2c(O)ccc(F)c21 104516600 574023066 /nfs/dbraw/zinc/02/30/66/574023066.db2.gz MLPINBNDQDGXBJ-SSDOTTSWSA-N 0 0 167.183 1.477 10 0 ADAERN CCC(C)(C)Nc1cncc(N)n1 87724575 574023075 /nfs/dbraw/zinc/02/30/75/574023075.db2.gz KABRSRQVFIVIOJ-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN COCCSc1ccc(CO)cn1 87720392 574023081 /nfs/dbraw/zinc/02/30/81/574023081.db2.gz WERGXCZMUTWFRO-UHFFFAOYSA-N 0 0 199.275 1.312 10 0 ADAERN CC(C)(C)Oc1cncc(N)n1 87725150 574023084 /nfs/dbraw/zinc/02/30/84/574023084.db2.gz BRKDXXBILYJJEV-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN Cc1cc(C=O)cnc1-n1ccnc1 87718005 574023089 /nfs/dbraw/zinc/02/30/89/574023089.db2.gz VVJJWVLHWFPJTC-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN Cc1cc([C@H]([NH3+])CO)cs1 104514191 574023098 /nfs/dbraw/zinc/02/30/98/574023098.db2.gz VRUPZURBWSFDJG-SSDOTTSWSA-N 0 0 157.238 1.049 10 0 ADAERN Nc1cc(Cc2cccs2)on1 259277143 574023103 /nfs/dbraw/zinc/02/31/03/574023103.db2.gz PJSHYZYWPWOWPT-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1cncc(N)n1 87724283 574023108 /nfs/dbraw/zinc/02/31/08/574023108.db2.gz IPBGTPICHFGRAO-HTQZYQBOSA-N 0 0 194.282 1.905 10 0 ADAERN OCc1n[nH]c([C@@H]2CCCCS2)n1 87717377 574023111 /nfs/dbraw/zinc/02/31/11/574023111.db2.gz TUQZYORGQWZFHS-LURJTMIESA-N 0 0 199.279 1.255 10 0 ADAERN CO[C@H](C)C[C@H](O)CC1CC1 128144177 574023116 /nfs/dbraw/zinc/02/31/16/574023116.db2.gz LMJSNDPYULOSFS-APPZFPTMSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)C[C@@H](C)Nc1cncc(N)n1 87724172 574023120 /nfs/dbraw/zinc/02/31/20/574023120.db2.gz RXCKYLJIHQYRMW-MRVPVSSYSA-N 0 0 194.282 1.905 10 0 ADAERN O=C(CC(F)(F)F)N1CC(CF)C1 585390164 574023140 /nfs/dbraw/zinc/02/31/40/574023140.db2.gz GIPJYTWOFZHPSN-UHFFFAOYSA-N 0 0 199.147 1.367 10 0 ADAERN CC[C@@](C)(O)CNc1cccc(N)[nH+]1 87726499 574023143 /nfs/dbraw/zinc/02/31/43/574023143.db2.gz OJOLWHJDWQOWTL-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN Nc1ncnc([C@@H]2CCCS2)n1 87717183 574023149 /nfs/dbraw/zinc/02/31/49/574023149.db2.gz OXHUXLLVPUKIIP-YFKPBYRVSA-N 0 0 182.252 1.022 10 0 ADAERN CC[C@H](C)Oc1cncc(N)n1 87725333 574023165 /nfs/dbraw/zinc/02/31/65/574023165.db2.gz ADPFPQOJUMNRSH-LURJTMIESA-N 0 0 167.212 1.236 10 0 ADAERN Cc1cc2c(cc1C(=O)[O-])[C@H]([NH3+])CC2 104513064 574023171 /nfs/dbraw/zinc/02/31/71/574023171.db2.gz YKPWOLLABDRWIW-SNVBAGLBSA-N 0 0 191.230 1.639 10 0 ADAERN C[N@@H+]1CCC(C)(C)[C@@H](C(=O)[O-])C1 259278093 574023178 /nfs/dbraw/zinc/02/31/78/574023178.db2.gz OESVRMGJWBLQIU-SSDOTTSWSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@H](Nc1cccc(N)[nH+]1)C1CC1 87725907 574023185 /nfs/dbraw/zinc/02/31/85/574023185.db2.gz XZBZCXRKYXCKKB-ZETCQYMHSA-N 0 0 177.251 1.874 10 0 ADAERN CC(C)[C@H](CO)Nc1cccc(N)[nH+]1 87726677 574023193 /nfs/dbraw/zinc/02/31/93/574023193.db2.gz FZYKLIHFSPXORS-QMMMGPOBSA-N 0 0 195.266 1.093 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(N)cc1C(=O)[O-] 104516524 574023207 /nfs/dbraw/zinc/02/32/07/574023207.db2.gz JWAMDOXPMQCDSJ-SECBINFHSA-N 0 0 194.234 1.377 10 0 ADAERN C[C@H]1CN(c2cccc(N)[nH+]2)C[C@@H]1C 87731546 574023211 /nfs/dbraw/zinc/02/32/11/574023211.db2.gz BZTPSNLWAJCRGI-IUCAKERBSA-N 0 0 191.278 1.756 10 0 ADAERN Cc1cnn(-c2ccc(C=O)cn2)c1 87718015 574023217 /nfs/dbraw/zinc/02/32/17/574023217.db2.gz IEILMBMQBNOMEN-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN O=c1cc(C2CCCC2)cn[nH]1 104510322 574023221 /nfs/dbraw/zinc/02/32/21/574023221.db2.gz UCDLCXCJNLUMJN-UHFFFAOYSA-N 0 0 164.208 1.428 10 0 ADAERN Cc1cc(CO)cnc1-n1ccnc1 87718512 574023237 /nfs/dbraw/zinc/02/32/37/574023237.db2.gz CIXJUCNVQVOOAN-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN [NH3+][C@@H]1CCc2cc(C(=O)[O-])c(F)cc21 104511714 574023242 /nfs/dbraw/zinc/02/32/42/574023242.db2.gz RHHPAMVEMKPPQI-SECBINFHSA-N 0 0 195.193 1.470 10 0 ADAERN O=C1CCc2c(CO)cc(Cl)cc21 104513743 574023250 /nfs/dbraw/zinc/02/32/50/574023250.db2.gz NLVQNBFIVAGWRG-UHFFFAOYSA-N 0 0 196.633 1.961 10 0 ADAERN C[C@@H](C1CC1)N(C)c1cccc(N)[nH+]1 87727019 574023263 /nfs/dbraw/zinc/02/32/63/574023263.db2.gz GEMGDDXOMQXYJN-QMMMGPOBSA-N 0 0 191.278 1.899 10 0 ADAERN [NH3+][C@H](CO)c1csc(C(F)F)c1 104514197 574023290 /nfs/dbraw/zinc/02/32/90/574023290.db2.gz RUGCAAGDRGULAB-RXMQYKEDSA-N 0 0 193.218 1.678 10 0 ADAERN Cc1nc(N)nc([C@H]2CCCS2)n1 87717177 574023304 /nfs/dbraw/zinc/02/33/04/574023304.db2.gz LAWZYFBPGWPZLB-ZCFIWIBFSA-N 0 0 196.279 1.330 10 0 ADAERN CCCN(C)c1cccc(N)[nH+]1 87726932 574023492 /nfs/dbraw/zinc/02/34/92/574023492.db2.gz PWXNZBFKFSLHSE-UHFFFAOYSA-N 0 0 165.240 1.510 10 0 ADAERN Cn1cc(-c2cc(Cl)on2)cn1 87723947 574023319 /nfs/dbraw/zinc/02/33/19/574023319.db2.gz MIKQGHIXBUETIF-UHFFFAOYSA-N 0 0 183.598 1.729 10 0 ADAERN Cc1oc2ccccc2c1[C@H]([NH3+])CO 104516981 574023320 /nfs/dbraw/zinc/02/33/20/574023320.db2.gz CMGLSMNPECOUJV-SECBINFHSA-N 0 0 191.230 1.733 10 0 ADAERN CC[C@H](C)CNc1cncc(N)n1 87724388 574023338 /nfs/dbraw/zinc/02/33/38/574023338.db2.gz XDYFUWSQZZHIBD-ZETCQYMHSA-N 0 0 180.255 1.517 10 0 ADAERN Nc1cncc(Oc2ccccc2)n1 87725268 574023341 /nfs/dbraw/zinc/02/33/41/574023341.db2.gz MXYGACZXASMVSE-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN COc1cc2c(cc1N)C(=O)CC2 104513156 574023342 /nfs/dbraw/zinc/02/33/42/574023342.db2.gz MCHMIQYUGAJKCH-UHFFFAOYSA-N 0 0 177.203 1.406 10 0 ADAERN CN1CCC[C@H]1c1ccc(Cl)nn1 259278015 574023496 /nfs/dbraw/zinc/02/34/96/574023496.db2.gz BIJLACNPAZGPBJ-QMMMGPOBSA-N 0 0 197.669 1.897 10 0 ADAERN C[C@H](O)c1cccc(CCO)c1 259278088 574023355 /nfs/dbraw/zinc/02/33/55/574023355.db2.gz BJQRACKDHYJUDS-QMMMGPOBSA-N 0 0 166.220 1.275 10 0 ADAERN CC[C@@H](C)NC(=O)N1CC(CF)C1 585390432 574023362 /nfs/dbraw/zinc/02/33/62/574023362.db2.gz SYUZVKFTYPRKDT-SSDOTTSWSA-N 0 0 188.246 1.396 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1cncc(N)n1 87725068 574023372 /nfs/dbraw/zinc/02/33/72/574023372.db2.gz YQRUPKWYCURYGN-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN CCCSc1cncc(N)n1 87725542 574023498 /nfs/dbraw/zinc/02/34/98/574023498.db2.gz AQVCFXGWTHACQI-UHFFFAOYSA-N 0 0 169.253 1.561 10 0 ADAERN CC[C@H](C)[C@@H](C)Nc1cncc(N)n1 87724284 574023385 /nfs/dbraw/zinc/02/33/85/574023385.db2.gz IPBGTPICHFGRAO-JGVFFNPUSA-N 0 0 194.282 1.905 10 0 ADAERN CCN(c1cncc(N)n1)C1CC1 87724731 574023389 /nfs/dbraw/zinc/02/33/89/574023389.db2.gz HBJOMCLAEVHDIB-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN Cc1cc(C(=O)[O-])c2c(c1)[C@H]([NH3+])CC2 104515920 574023395 /nfs/dbraw/zinc/02/33/95/574023395.db2.gz JPNIRONQZZGIMC-SNVBAGLBSA-N 0 0 191.230 1.639 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1cncc(N)n1 87725074 574023405 /nfs/dbraw/zinc/02/34/05/574023405.db2.gz YQRUPKWYCURYGN-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN Nc1cccc(N[C@H]2CCCOC2)[nH+]1 87726409 574023420 /nfs/dbraw/zinc/02/34/20/574023420.db2.gz NWPUBRODFZNQSG-QMMMGPOBSA-N 0 0 193.250 1.255 10 0 ADAERN Nc1ncnc([C@H]2CCCS2)n1 87717185 574023425 /nfs/dbraw/zinc/02/34/25/574023425.db2.gz OXHUXLLVPUKIIP-RXMQYKEDSA-N 0 0 182.252 1.022 10 0 ADAERN Cc1c(N)noc1-c1ccncc1 85278325 574024209 /nfs/dbraw/zinc/02/42/09/574024209.db2.gz ZVQQQJBWFGUKPW-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC[C@@H](C)Oc1cnc(N)cn1 87734296 574024815 /nfs/dbraw/zinc/02/48/15/574024815.db2.gz BRTNBMSARDJBRX-ZCFIWIBFSA-N 0 0 167.212 1.236 10 0 ADAERN C[NH2+][C@H](CO)c1ccc(C)c(Cl)c1 104522551 574024479 /nfs/dbraw/zinc/02/44/79/574024479.db2.gz DJYDDTNPACYLIX-SNVBAGLBSA-N 0 0 199.681 1.901 10 0 ADAERN N[C@H](c1cccc(F)n1)C(F)(F)F 104521855 574024864 /nfs/dbraw/zinc/02/48/64/574024864.db2.gz PJTCQVHPEDRVHU-ZCFIWIBFSA-N 0 0 194.131 1.783 10 0 ADAERN COC(=O)[C@@H](F)CCC(C)C 258468937 574031492 /nfs/dbraw/zinc/03/14/92/574031492.db2.gz HXWPVFDVVJNZAK-ZETCQYMHSA-N 0 0 162.204 1.934 10 0 ADAERN Nc1cccc(NC[C@H]2CCOC2)[nH+]1 87726032 574024141 /nfs/dbraw/zinc/02/41/41/574024141.db2.gz XIHRGELGSKJKKY-MRVPVSSYSA-N 0 0 193.250 1.112 10 0 ADAERN C[C@H](CC1CC1)Nc1cncc(N)n1 87724429 574024147 /nfs/dbraw/zinc/02/41/47/574024147.db2.gz JNVHROUGPURKKS-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN Nc1cccc(NC2CC2)[nH+]1 87725744 574024155 /nfs/dbraw/zinc/02/41/55/574024155.db2.gz AVTHESBBYJBFMG-UHFFFAOYSA-N 0 0 149.197 1.238 10 0 ADAERN CC[C@@H]([NH3+])c1cncc(O)c1 104523590 574024157 /nfs/dbraw/zinc/02/41/57/574024157.db2.gz HOSIMHZOUOQSCZ-MRVPVSSYSA-N 0 0 152.197 1.197 10 0 ADAERN C/C(=C1/CC(=O)NC1=O)C1(C)CC1 211431569 574024160 /nfs/dbraw/zinc/02/41/60/574024160.db2.gz SAVCNQYHKVWWCD-VOTSOKGWSA-N 0 0 179.219 1.150 10 0 ADAERN CC[C@@H](C)Nc1cccc(N)[nH+]1 87725740 574024161 /nfs/dbraw/zinc/02/41/61/574024161.db2.gz YMKNKOCUYMUOHC-SSDOTTSWSA-N 0 0 165.240 1.874 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1cncc(N)n1 87725070 574024169 /nfs/dbraw/zinc/02/41/69/574024169.db2.gz YQRUPKWYCURYGN-JGVFFNPUSA-N 0 0 192.266 1.151 10 0 ADAERN Cc1cc(CO)cnc1-n1cccn1 87718508 574024172 /nfs/dbraw/zinc/02/41/72/574024172.db2.gz FPNGNJMGPLQMDV-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CC(C)[C@H](C)N(C)c1cncc(N)n1 87724779 574024190 /nfs/dbraw/zinc/02/41/90/574024190.db2.gz LOJAGWKZVSQRGW-QMMMGPOBSA-N 0 0 194.282 1.540 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1cnc(N)cn1 87732849 574024869 /nfs/dbraw/zinc/02/48/69/574024869.db2.gz UYTCIQCMUJLIPD-JGVFFNPUSA-N 0 0 192.266 1.659 10 0 ADAERN C[NH2+][C@H](CO)c1c(C)cccc1C 104520182 574024212 /nfs/dbraw/zinc/02/42/12/574024212.db2.gz CLURJZBIFWLNQG-SNVBAGLBSA-N 0 0 179.263 1.556 10 0 ADAERN Cc1c(N)noc1C1CC1 85278242 574024215 /nfs/dbraw/zinc/02/42/15/574024215.db2.gz AKVFISWFDOLHCU-UHFFFAOYSA-N 0 0 138.170 1.443 10 0 ADAERN CC(C)[C@@H](CO)Nc1cccc(N)[nH+]1 87726675 574024216 /nfs/dbraw/zinc/02/42/16/574024216.db2.gz FZYKLIHFSPXORS-MRVPVSSYSA-N 0 0 195.266 1.093 10 0 ADAERN CCN[C@@H](CC)C(F)(F)F 85277124 574024226 /nfs/dbraw/zinc/02/42/26/574024226.db2.gz SUOIJEDDVQHDRC-YFKPBYRVSA-N 0 0 155.163 1.937 10 0 ADAERN CC(C)(C)Sc1cncc(N)n1 87725539 574024229 /nfs/dbraw/zinc/02/42/29/574024229.db2.gz FYQGOTVEJVLYNB-UHFFFAOYSA-N 0 0 183.280 1.949 10 0 ADAERN Cc1cc(C=O)cnc1N(C)C1CC1 87717480 574024252 /nfs/dbraw/zinc/02/42/52/574024252.db2.gz IGDUPVGDCZTVPV-UHFFFAOYSA-N 0 0 190.246 1.801 10 0 ADAERN CC[C@@H]([NH3+])c1cc(C)cnc1F 104524006 574024256 /nfs/dbraw/zinc/02/42/56/574024256.db2.gz VPBWUKPCNDIJHV-MRVPVSSYSA-N 0 0 168.215 1.939 10 0 ADAERN CCC[C@@H]([NH3+])c1cc(C)c[nH]c1=O 104524022 574024264 /nfs/dbraw/zinc/02/42/64/574024264.db2.gz IJSYEFOPKOMAQU-SECBINFHSA-N 0 0 180.251 1.896 10 0 ADAERN CC[C@H](C)N(C)c1cncc(N)n1 87724748 574024267 /nfs/dbraw/zinc/02/42/67/574024267.db2.gz XTNROGRREUBRRY-ZETCQYMHSA-N 0 0 180.255 1.294 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(F)c(C)n1 104520718 574024269 /nfs/dbraw/zinc/02/42/69/574024269.db2.gz CQHHEBBZXIYNIH-MRVPVSSYSA-N 0 0 168.215 1.939 10 0 ADAERN COC[C@@H](C)Nc1cccc(N)[nH+]1 87725766 574024275 /nfs/dbraw/zinc/02/42/75/574024275.db2.gz NJGNUQFMXOGQIM-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN OCCc1ccc(CC2(O)CC2)cc1 259277802 574024283 /nfs/dbraw/zinc/02/42/83/574024283.db2.gz BGGOWAYWLGPBDB-UHFFFAOYSA-N 0 0 192.258 1.289 10 0 ADAERN Cc1cnc(F)c([C@@H](C)[NH3+])c1 104523586 574024290 /nfs/dbraw/zinc/02/42/90/574024290.db2.gz IBHZSRNMMAIXRE-ZCFIWIBFSA-N 0 0 154.188 1.549 10 0 ADAERN CN[C@@H]([C@@H]1CCCOC1)C(F)(F)F 85276554 574024876 /nfs/dbraw/zinc/02/48/76/574024876.db2.gz QNMYPBCIAREFIN-RQJHMYQMSA-N 0 0 197.200 1.563 10 0 ADAERN COc1cc2c(cc1[C@@H](C)[NH3+])OCO2 104520211 574024317 /nfs/dbraw/zinc/02/43/17/574024317.db2.gz JPUYNJXITXJQDJ-ZCFIWIBFSA-N 0 0 195.218 1.444 10 0 ADAERN CCCCCC(=O)N1CC(CF)C1 585390284 574024330 /nfs/dbraw/zinc/02/43/30/574024330.db2.gz KPKDVQKRPQQMAQ-UHFFFAOYSA-N 0 0 187.258 1.995 10 0 ADAERN O=Cc1cn(Cc2ccsc2)nn1 85272053 574024332 /nfs/dbraw/zinc/02/43/32/574024332.db2.gz NAUNYWHVLIFHDR-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN C[NH2+][C@H](CO)c1cc(C)c(C)o1 104523180 574024360 /nfs/dbraw/zinc/02/43/60/574024360.db2.gz KEMKIEYSYMXGDL-MRVPVSSYSA-N 0 0 169.224 1.149 10 0 ADAERN Cn1ccc2cc(NN)ccc21 259278725 574024366 /nfs/dbraw/zinc/02/43/66/574024366.db2.gz SRCLIKBEQFHHNC-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN C[NH2+][C@H](C)c1cncc(OC)c1 104521355 574024878 /nfs/dbraw/zinc/02/48/78/574024878.db2.gz IYAUCAPBNWWBAF-SSDOTTSWSA-N 0 0 166.224 1.371 10 0 ADAERN CC(=O)c1ccccc1[C@@H](C)[NH3+] 104522000 574024426 /nfs/dbraw/zinc/02/44/26/574024426.db2.gz KFNUBVRBTPUVLE-SSDOTTSWSA-N 0 0 163.220 1.909 10 0 ADAERN CC[C@@H]([NH3+])c1cc(C(=O)[O-])ccn1 104517834 574024834 /nfs/dbraw/zinc/02/48/34/574024834.db2.gz JZQAKUIFPDOGOC-SSDOTTSWSA-N 0 0 180.207 1.190 10 0 ADAERN CCOC(=O)[C@@H]1N=CO[C@@H]1[C@H](C)CC 85274167 574024462 /nfs/dbraw/zinc/02/44/62/574024462.db2.gz RHDNFNYCNZOZFS-IWSPIJDZSA-N 0 0 199.250 1.391 10 0 ADAERN Cc1ccc(Cn2cc(C=O)nn2)o1 85271590 574024494 /nfs/dbraw/zinc/02/44/94/574024494.db2.gz KYZQARNQAZETJO-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN Cc1cc(-c2cc[nH]c2)nc(CO)n1 259278374 574024507 /nfs/dbraw/zinc/02/45/07/574024507.db2.gz LTYXVQAOLAIOLA-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN C[C@H]1CCC[C@H](n2cc(C=O)nn2)C1 85272128 574024508 /nfs/dbraw/zinc/02/45/08/574024508.db2.gz NURMRAVSMLQVLU-WPRPVWTQSA-N 0 0 193.250 1.842 10 0 ADAERN O=C([O-])c1ncccc1[C@@H]1CCC[NH2+]1 104521300 574024523 /nfs/dbraw/zinc/02/45/23/574024523.db2.gz BIULVLBLFKVGDS-QMMMGPOBSA-N 0 0 192.218 1.204 10 0 ADAERN COc1ccc(C(C)(C)CO)cc1N 259278065 574024540 /nfs/dbraw/zinc/02/45/40/574024540.db2.gz BJHKQPYPWBBVDV-UHFFFAOYSA-N 0 0 195.262 1.547 10 0 ADAERN CN[C@@]1(C(F)(F)F)CCCOC1 85276688 574024559 /nfs/dbraw/zinc/02/45/59/574024559.db2.gz UBXNIXCAOZVMTB-LURJTMIESA-N 0 0 183.173 1.317 10 0 ADAERN Cc1c(N)noc1[C@H]1CCCOC1 85278238 574024575 /nfs/dbraw/zinc/02/45/75/574024575.db2.gz OFIHCGKDDXMGQT-ZETCQYMHSA-N 0 0 182.223 1.459 10 0 ADAERN Nc1nocc1-c1cccs1 85278050 574024885 /nfs/dbraw/zinc/02/48/85/574024885.db2.gz MGGWNGCIIONOEU-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN CC(C)[C@@H](C)Oc1cnc(N)cn1 87734439 574024581 /nfs/dbraw/zinc/02/45/81/574024581.db2.gz KGIURNWFEFXZKR-SSDOTTSWSA-N 0 0 181.239 1.482 10 0 ADAERN CC(C)[C@H](C)N(C)c1cnc(N)cn1 87733479 574024616 /nfs/dbraw/zinc/02/46/16/574024616.db2.gz VEEZZMXOYDXKCX-QMMMGPOBSA-N 0 0 194.282 1.540 10 0 ADAERN C[NH2+][C@H](C)c1cccc(OC)n1 104520888 574024618 /nfs/dbraw/zinc/02/46/18/574024618.db2.gz ZKQBIDDCNKBWAY-SSDOTTSWSA-N 0 0 166.224 1.371 10 0 ADAERN CN[C@@]1(C(F)(F)F)CCCOCC1 85276617 574024621 /nfs/dbraw/zinc/02/46/21/574024621.db2.gz HMILKVZYTKYTSB-ZETCQYMHSA-N 0 0 197.200 1.707 10 0 ADAERN CC(C)CNc1cnc(N)cn1 87732187 574024624 /nfs/dbraw/zinc/02/46/24/574024624.db2.gz FMXFOCLRCHFHQI-UHFFFAOYSA-N 0 0 166.228 1.127 10 0 ADAERN Nc1cc(-c2ccsc2)on1 85278629 574024626 /nfs/dbraw/zinc/02/46/26/574024626.db2.gz UHFUGRIKIPSMEH-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN CC(C)(C)Oc1cnc(N)cn1 87734108 574024631 /nfs/dbraw/zinc/02/46/31/574024631.db2.gz HHIGYTJNSOAYIY-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN Nc1cc([C@@H]2CCCOC2)on1 85278542 574024636 /nfs/dbraw/zinc/02/46/36/574024636.db2.gz ANRPLWFOFTURQB-ZCFIWIBFSA-N 0 0 168.196 1.151 10 0 ADAERN CN[C@](C)(COC)C(F)(F)F 85276288 574024639 /nfs/dbraw/zinc/02/46/39/574024639.db2.gz ODGUQQBZHWOKKL-RXMQYKEDSA-N 0 0 171.162 1.173 10 0 ADAERN Cc1c(N)noc1[C@@H]1CCCOC1 85278236 574024642 /nfs/dbraw/zinc/02/46/42/574024642.db2.gz OFIHCGKDDXMGQT-SSDOTTSWSA-N 0 0 182.223 1.459 10 0 ADAERN CC1(C)C[C@H]1Nc1cnc(N)cn1 87732566 574024643 /nfs/dbraw/zinc/02/46/43/574024643.db2.gz WYGWSMYBIBPXNX-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN CC[C@H](C)n1cc(C=O)nn1 85272156 574024647 /nfs/dbraw/zinc/02/46/47/574024647.db2.gz DQKLSSRZDUZDDU-LURJTMIESA-N 0 0 153.185 1.062 10 0 ADAERN CCc1cc(Br)n(C)n1 104522784 574024843 /nfs/dbraw/zinc/02/48/43/574024843.db2.gz OSIYBVFRWMTISX-UHFFFAOYSA-N 0 0 189.056 1.745 10 0 ADAERN Cc1cc(N)nc(COC2CCC2)n1 87735507 574024659 /nfs/dbraw/zinc/02/46/59/574024659.db2.gz XSEJBZMXSSOKMD-UHFFFAOYSA-N 0 0 193.250 1.436 10 0 ADAERN Cc1c(N)noc1CC1CC1 85278270 574024660 /nfs/dbraw/zinc/02/46/60/574024660.db2.gz IODXFYONUJCOHI-UHFFFAOYSA-N 0 0 152.197 1.518 10 0 ADAERN Nc1cccc(SC2COC2)n1 87732144 574024669 /nfs/dbraw/zinc/02/46/69/574024669.db2.gz ZRLIKDARFKVPTN-UHFFFAOYSA-N 0 0 182.248 1.155 10 0 ADAERN Cc1c(N)noc1-c1ccncc1F 85278204 574024671 /nfs/dbraw/zinc/02/46/71/574024671.db2.gz VNCMUJUHRUJEBZ-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN C[C@@]1(c2nsc(N)n2)CCCCO1 87761299 574024675 /nfs/dbraw/zinc/02/46/75/574024675.db2.gz PDLLWQQNAGVPER-QMMMGPOBSA-N 0 0 199.279 1.536 10 0 ADAERN O=C([O-])c1ccc([C@@H]2CCC[NH2+]2)cn1 104520040 574024676 /nfs/dbraw/zinc/02/46/76/574024676.db2.gz CDFPQYMGSNHWPM-QMMMGPOBSA-N 0 0 192.218 1.204 10 0 ADAERN CCC(=O)[C@]1(C)CCCCO1 87761498 574024886 /nfs/dbraw/zinc/02/48/86/574024886.db2.gz QNQPOYTWIRLUGK-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN CC1(C)CCCN1c1cnc(N)cn1 87733906 574024686 /nfs/dbraw/zinc/02/46/86/574024686.db2.gz GWVCFYGVQSUDLI-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN Nc1cnc(Nc2ccsc2)cn1 87734044 574024844 /nfs/dbraw/zinc/02/48/44/574024844.db2.gz VIQZWIHGFZUDNA-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN CC[C@@H](C)c1cc(N)no1 85278388 574024708 /nfs/dbraw/zinc/02/47/08/574024708.db2.gz AABKRGPYNKNDNW-RXMQYKEDSA-N 0 0 140.186 1.770 10 0 ADAERN C[C@@H]([NH3+])c1ccc(/C=C/C(=O)[O-])cc1 104524160 574024709 /nfs/dbraw/zinc/02/47/09/574024709.db2.gz RAAVXNZHEIBYRH-RXLGXGPVSA-N 0 0 191.230 1.804 10 0 ADAERN CCC(CC)N(C)c1cnc(N)cn1 87733486 574024714 /nfs/dbraw/zinc/02/47/14/574024714.db2.gz JHSOHVWCAWFPDS-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN Nc1cccc(OCC2CC2)n1 87731740 574024719 /nfs/dbraw/zinc/02/47/19/574024719.db2.gz GQISDVKLXDRYMR-UHFFFAOYSA-N 0 0 164.208 1.453 10 0 ADAERN Nc1cnc(NC2CCCC2)cn1 87732189 574024732 /nfs/dbraw/zinc/02/47/32/574024732.db2.gz RVSLVNUARIWWLR-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN Nc1cc(-c2ccncc2F)on1 85278504 574024810 /nfs/dbraw/zinc/02/48/10/574024810.db2.gz SQTMDIJQJJZDCE-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN CC(C)COc1cnc(N)cn1 87734158 574024757 /nfs/dbraw/zinc/02/47/57/574024757.db2.gz PIHJPCVYMITLQV-UHFFFAOYSA-N 0 0 167.212 1.094 10 0 ADAERN CC1(C)CCN(c2cnc(N)cn2)C1 87734092 574024760 /nfs/dbraw/zinc/02/47/60/574024760.db2.gz INSFUZNSSQMSRW-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(O)cn1 104519927 574024761 /nfs/dbraw/zinc/02/47/61/574024761.db2.gz QPZMVGNTBHZVGH-SSDOTTSWSA-N 0 0 152.197 1.197 10 0 ADAERN CSCCC[C@@]1(CO)CCOC1 131818931 574024789 /nfs/dbraw/zinc/02/47/89/574024789.db2.gz AHOMBAVNLCGXNS-VIFPVBQESA-N 0 0 190.308 1.529 10 0 ADAERN CC[C@H](Nc1cnc(N)cn1)C(C)C 87732568 574024798 /nfs/dbraw/zinc/02/47/98/574024798.db2.gz GZIYQCTULSPJLJ-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(C(=O)[O-])cn1 104519127 574024800 /nfs/dbraw/zinc/02/48/00/574024800.db2.gz QWYJKJFPCQCKNB-SSDOTTSWSA-N 0 0 180.207 1.190 10 0 ADAERN CC1(C)CC[C@]2(CC(=O)NC2=O)C1 87769671 574027502 /nfs/dbraw/zinc/02/75/02/574027502.db2.gz LXFRSRJUVBQTRP-JTQLQIEISA-N 0 0 181.235 1.229 10 0 ADAERN CCC[C@@H](C)Nc1cnc(N)cn1 87732211 574025630 /nfs/dbraw/zinc/02/56/30/574025630.db2.gz MUMDORCZCRGTGN-SSDOTTSWSA-N 0 0 180.255 1.659 10 0 ADAERN CCCCc1onc(N)c1C 85278366 574025639 /nfs/dbraw/zinc/02/56/39/574025639.db2.gz NLGQBBWPSREVKC-UHFFFAOYSA-N 0 0 154.213 1.908 10 0 ADAERN C=Cc1cccc(O)c1C(=O)OC 104523398 574025647 /nfs/dbraw/zinc/02/56/47/574025647.db2.gz BAPADXRXUHBBDX-UHFFFAOYSA-N 0 0 178.187 1.822 10 0 ADAERN CC(C)CSc1cnc(N)cn1 87734553 574025648 /nfs/dbraw/zinc/02/56/48/574025648.db2.gz BOVGIHARXRZAFG-UHFFFAOYSA-N 0 0 183.280 1.807 10 0 ADAERN CNC1(C(F)(F)F)CCOCC1 85276750 574025650 /nfs/dbraw/zinc/02/56/50/574025650.db2.gz PNPLTDYDORQWCV-UHFFFAOYSA-N 0 0 183.173 1.317 10 0 ADAERN CN[C@H]([C@@H]1CCCOC1)C(F)(F)F 85276556 574025655 /nfs/dbraw/zinc/02/56/55/574025655.db2.gz QNMYPBCIAREFIN-RNFRBKRXSA-N 0 0 197.200 1.563 10 0 ADAERN CN(c1cnc(N)cn1)C1CCCC1 87733412 574025665 /nfs/dbraw/zinc/02/56/65/574025665.db2.gz ZRASTKWSTAWHAI-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN Nc1cnc(N[C@@H]2CC=CCC2)cn1 87733089 574025670 /nfs/dbraw/zinc/02/56/70/574025670.db2.gz SYCPHUXRSCPJTB-MRVPVSSYSA-N 0 0 190.250 1.579 10 0 ADAERN CC(C)(C)n1cccc1[C@H]([NH3+])CO 104524197 574025676 /nfs/dbraw/zinc/02/56/76/574025676.db2.gz ABHIVBZHQIRJOI-MRVPVSSYSA-N 0 0 182.267 1.235 10 0 ADAERN Cc1cncc(-c2onc(N)c2C)c1 85278302 574025677 /nfs/dbraw/zinc/02/56/77/574025677.db2.gz CVSNWVPHNYQWBH-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CCN(c1cnc(N)cn1)C(C)C 87733405 574025681 /nfs/dbraw/zinc/02/56/81/574025681.db2.gz DGCUKIMAKCUAGR-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN CC[C@@H]([NH3+])c1cccnc1C(=O)[O-] 104523594 574025684 /nfs/dbraw/zinc/02/56/84/574025684.db2.gz AKZXWYNVKMTSIW-SSDOTTSWSA-N 0 0 180.207 1.190 10 0 ADAERN C[C@]1(C(=O)C2CC2)CCCCO1 87761418 574025685 /nfs/dbraw/zinc/02/56/85/574025685.db2.gz ITHMDEYSRNRCNR-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@]1(C(=O)[C@H]2CCOC2)CCCCO1 87761493 574025689 /nfs/dbraw/zinc/02/56/89/574025689.db2.gz UEUCKQKNFQTXKB-GXSJLCMTSA-N 0 0 198.262 1.551 10 0 ADAERN C[C@@H]1CCC[C@@H](n2cc(C=O)nn2)C1 85272131 574025690 /nfs/dbraw/zinc/02/56/90/574025690.db2.gz NURMRAVSMLQVLU-PSASIEDQSA-N 0 0 193.250 1.842 10 0 ADAERN Cc1cc(C)n(-c2cccc(N)n2)n1 87731925 574025693 /nfs/dbraw/zinc/02/56/93/574025693.db2.gz VGPINPBSXXGYJI-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCC(C)(C)N(C)c1cnc(N)cn1 87733969 574025697 /nfs/dbraw/zinc/02/56/97/574025697.db2.gz SAPBOCWACSIWCQ-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN CC(=O)CCC(C)(C)C(=O)N(C)C 388680057 574025698 /nfs/dbraw/zinc/02/56/98/574025698.db2.gz ILXNZGYRCPYRRS-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN CC(C)(C)Sc1cnc(N)cn1 87734502 574025705 /nfs/dbraw/zinc/02/57/05/574025705.db2.gz WYWBZJFBJOSVKP-UHFFFAOYSA-N 0 0 183.280 1.949 10 0 ADAERN CC1(C)CC[C@](C)(O)C1 87773028 574027509 /nfs/dbraw/zinc/02/75/09/574027509.db2.gz WSJHVFRHJYXQCP-QMMMGPOBSA-N 0 0 128.215 1.948 10 0 ADAERN COCC(=O)[C@@]1(C)CCCCO1 87761593 574025717 /nfs/dbraw/zinc/02/57/17/574025717.db2.gz HIXTYVRXCUTRBN-SECBINFHSA-N 0 0 172.224 1.161 10 0 ADAERN CC(C)[C@H](C)CNc1cnc(N)cn1 87733016 574025723 /nfs/dbraw/zinc/02/57/23/574025723.db2.gz GZXPKFSSTMJPSX-MRVPVSSYSA-N 0 0 194.282 1.763 10 0 ADAERN CCC[C@@H]([NH3+])c1cncc(O)c1 104523024 574025724 /nfs/dbraw/zinc/02/57/24/574025724.db2.gz UIZPFOPMYWJONV-SECBINFHSA-N 0 0 166.224 1.587 10 0 ADAERN C[C@@]1([C@H](O)C2CC2)CCCCO1 87761955 574025737 /nfs/dbraw/zinc/02/57/37/574025737.db2.gz JJDBNDUKZLPUPR-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1c(N)noc1[C@@H]1C[C@@H]1C 85278167 574026031 /nfs/dbraw/zinc/02/60/31/574026031.db2.gz CVRXMYXMATZCOP-UJURSFKZSA-N 0 0 152.197 1.689 10 0 ADAERN Nc1cnc(N2CCCCCC2)cn1 87733208 574025747 /nfs/dbraw/zinc/02/57/47/574025747.db2.gz UIQCWEYXOFVRKB-UHFFFAOYSA-N 0 0 192.266 1.439 10 0 ADAERN O=C1CO[C@@H](c2ccccc2F)CN1 104520968 574025755 /nfs/dbraw/zinc/02/57/55/574025755.db2.gz UYCFPSWLUFFJHL-SECBINFHSA-N 0 0 195.193 1.013 10 0 ADAERN CC(=O)COc1cnc(Cl)nc1 258524691 574025758 /nfs/dbraw/zinc/02/57/58/574025758.db2.gz NHHPAWDCANMYAE-UHFFFAOYSA-N 0 0 186.598 1.098 10 0 ADAERN CN[C@]1(C(F)(F)F)CCO[C@H](C)C1 85276472 574025760 /nfs/dbraw/zinc/02/57/60/574025760.db2.gz DOLMYABHUKLXQK-RNFRBKRXSA-N 0 0 197.200 1.706 10 0 ADAERN C[C@H]1CCC[C@@H](n2cc(C=O)nn2)C1 85272132 574025764 /nfs/dbraw/zinc/02/57/64/574025764.db2.gz NURMRAVSMLQVLU-WCBMZHEXSA-N 0 0 193.250 1.842 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1cnc(N)cn1 87732844 574025770 /nfs/dbraw/zinc/02/57/70/574025770.db2.gz UYTCIQCMUJLIPD-SFYZADRCSA-N 0 0 192.266 1.659 10 0 ADAERN C[NH2+][C@H](C)c1ccncc1F 104522518 574025771 /nfs/dbraw/zinc/02/57/71/574025771.db2.gz IOLGEULQOAJVPL-ZCFIWIBFSA-N 0 0 154.188 1.501 10 0 ADAERN CC[C@@H](O)[C@@]1(C)CCCCO1 87761927 574025776 /nfs/dbraw/zinc/02/57/76/574025776.db2.gz FXOBDMVHDDPDQK-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CN[C@@H](c1cncn1C)C(F)(F)F 85276799 574025778 /nfs/dbraw/zinc/02/57/78/574025778.db2.gz OWFJQGGQUHSDOP-LURJTMIESA-N 0 0 193.172 1.243 10 0 ADAERN C[C@]1(c2nccc(=O)[nH]2)CCCCO1 87761309 574025780 /nfs/dbraw/zinc/02/57/80/574025780.db2.gz ZITWFHKSJQPZCB-SNVBAGLBSA-N 0 0 194.234 1.186 10 0 ADAERN CN[C@]1(C(F)(F)F)CCCOCC1 85276616 574025795 /nfs/dbraw/zinc/02/57/95/574025795.db2.gz HMILKVZYTKYTSB-SSDOTTSWSA-N 0 0 197.200 1.707 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ccncc1C(=O)[O-] 104518516 574025801 /nfs/dbraw/zinc/02/58/01/574025801.db2.gz MJKUWSSARLKPFY-SECBINFHSA-N 0 0 194.234 1.436 10 0 ADAERN CCC(C)(C)Oc1cnc(N)cn1 87734116 574025802 /nfs/dbraw/zinc/02/58/02/574025802.db2.gz CKSIORDYDNHWMZ-UHFFFAOYSA-N 0 0 181.239 1.626 10 0 ADAERN Cc1cc(N)nc(COC(C)C)n1 87735473 574025809 /nfs/dbraw/zinc/02/58/09/574025809.db2.gz BIIGKMYXPANSLK-UHFFFAOYSA-N 0 0 181.239 1.292 10 0 ADAERN CC[C@@H]([NH3+])c1cccc(C(=O)[O-])n1 104517097 574025816 /nfs/dbraw/zinc/02/58/16/574025816.db2.gz BNTDMOYUWITUGC-ZCFIWIBFSA-N 0 0 180.207 1.190 10 0 ADAERN CN[C@]1(C(F)(F)F)CCO[C@@H](C)C1 85276473 574025818 /nfs/dbraw/zinc/02/58/18/574025818.db2.gz DOLMYABHUKLXQK-NKWVEPMBSA-N 0 0 197.200 1.706 10 0 ADAERN Cc1n[nH]cc1-c1onc(N)c1C 85278107 574025823 /nfs/dbraw/zinc/02/58/23/574025823.db2.gz VOQLDYILKFKQAK-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN CCNC1(C(F)(F)F)CCOCC1 85277386 574025859 /nfs/dbraw/zinc/02/58/59/574025859.db2.gz NVSREPQQIFPCER-UHFFFAOYSA-N 0 0 197.200 1.707 10 0 ADAERN CCc1c(N)noc1-c1cccnc1 85278789 574027525 /nfs/dbraw/zinc/02/75/25/574027525.db2.gz HZRCNSBXAFPRQJ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CN[C@](C)(C1CC1)C(F)(F)F 85276585 574025871 /nfs/dbraw/zinc/02/58/71/574025871.db2.gz ZDMLJNLKMQTAGZ-ZCFIWIBFSA-N 0 0 167.174 1.937 10 0 ADAERN O=C1CO[C@H](c2ccccc2F)CN1 104520965 574025874 /nfs/dbraw/zinc/02/58/74/574025874.db2.gz UYCFPSWLUFFJHL-VIFPVBQESA-N 0 0 195.193 1.013 10 0 ADAERN CC[C@H](O)[C@]1(C)CCCCO1 87761918 574025881 /nfs/dbraw/zinc/02/58/81/574025881.db2.gz FXOBDMVHDDPDQK-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN CC(C)[C@H](C)Nc1cnc(N)cn1 87732164 574025904 /nfs/dbraw/zinc/02/59/04/574025904.db2.gz YKXNQTWSEPKKAY-ZETCQYMHSA-N 0 0 180.255 1.515 10 0 ADAERN CC[C@H](C)Nc1cnc(N)cn1 87732183 574025912 /nfs/dbraw/zinc/02/59/12/574025912.db2.gz JIKKTRMYKIDMSP-LURJTMIESA-N 0 0 166.228 1.269 10 0 ADAERN C[C@]1([C@H](O)C2CC2)CCCCO1 87761953 574025932 /nfs/dbraw/zinc/02/59/32/574025932.db2.gz JJDBNDUKZLPUPR-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H]1CCC[C@H](n2cc(C=O)nn2)C1 85272127 574025939 /nfs/dbraw/zinc/02/59/39/574025939.db2.gz NURMRAVSMLQVLU-SCZZXKLOSA-N 0 0 193.250 1.842 10 0 ADAERN CN[C@H]([C@H]1CCCOC1)C(F)(F)F 85276559 574025944 /nfs/dbraw/zinc/02/59/44/574025944.db2.gz QNMYPBCIAREFIN-NKWVEPMBSA-N 0 0 197.200 1.563 10 0 ADAERN C[C@@H]1C(=O)Nc2c(O)cccc2N1C 259279976 574025947 /nfs/dbraw/zinc/02/59/47/574025947.db2.gz PKYOWJOUPQNWDN-ZCFIWIBFSA-N 0 0 192.218 1.169 10 0 ADAERN CN[C@H](c1cncn1C)C(F)(F)F 85276801 574025949 /nfs/dbraw/zinc/02/59/49/574025949.db2.gz OWFJQGGQUHSDOP-ZCFIWIBFSA-N 0 0 193.172 1.243 10 0 ADAERN Nc1cccc(-n2cc(Cl)cn2)n1 87731931 574025955 /nfs/dbraw/zinc/02/59/55/574025955.db2.gz ODFJWANNESBMKD-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CC(C)[C@H](O)[C@@]1(C)CCCCO1 87761828 574025957 /nfs/dbraw/zinc/02/59/57/574025957.db2.gz TYCACCQTTBHQFJ-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1cnc(N)cn1 87732562 574025975 /nfs/dbraw/zinc/02/59/75/574025975.db2.gz GLYGCPOLZREYMW-YUMQZZPRSA-N 0 0 194.282 1.905 10 0 ADAERN CC[C@@H](Nc1cnc(N)cn1)C(C)C 87732569 574025987 /nfs/dbraw/zinc/02/59/87/574025987.db2.gz GZIYQCTULSPJLJ-MRVPVSSYSA-N 0 0 194.282 1.905 10 0 ADAERN CCc1nccn1-c1cccc(N)n1 87731942 574025990 /nfs/dbraw/zinc/02/59/90/574025990.db2.gz STLOCEBQHYKULC-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN Nc1cnc(NCc2ccco2)cn1 87732178 574026006 /nfs/dbraw/zinc/02/60/06/574026006.db2.gz GHCRMFUEDUXLSJ-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN C[C@H]1CCCN1c1cnc(N)cn1 87733533 574026010 /nfs/dbraw/zinc/02/60/10/574026010.db2.gz OTFBPAWCBROPEE-ZETCQYMHSA-N 0 0 178.239 1.048 10 0 ADAERN CC(C)[C@@H](O)[C@@]1(C)CCCCO1 87761831 574026019 /nfs/dbraw/zinc/02/60/19/574026019.db2.gz TYCACCQTTBHQFJ-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN CCSc1cnc(N)cn1 87734500 574026023 /nfs/dbraw/zinc/02/60/23/574026023.db2.gz GNGJIGYOOGTTTM-UHFFFAOYSA-N 0 0 155.226 1.171 10 0 ADAERN CCSCC[C@@]1(CO)CCOC1 131819354 574026032 /nfs/dbraw/zinc/02/60/32/574026032.db2.gz HOKQSNWCTSPTII-SECBINFHSA-N 0 0 190.308 1.529 10 0 ADAERN CCN[C@@]1(C(F)(F)F)CCCOC1 85277325 574026034 /nfs/dbraw/zinc/02/60/34/574026034.db2.gz ORZJGKCUYMPGAN-ZETCQYMHSA-N 0 0 197.200 1.707 10 0 ADAERN CCCNc1cc(C)nc(CO)n1 87735494 574026044 /nfs/dbraw/zinc/02/60/44/574026044.db2.gz OETCGIBAAOQKSG-UHFFFAOYSA-N 0 0 181.239 1.099 10 0 ADAERN C[NH2+][C@H](C)c1ccc(O)c(C(=O)[O-])c1 104517285 574026047 /nfs/dbraw/zinc/02/60/47/574026047.db2.gz VOIDNTFMZMLBBF-ZCFIWIBFSA-N 0 0 195.218 1.371 10 0 ADAERN C[C@@]1(C(=O)C2CC2)CCCCO1 87761420 574026048 /nfs/dbraw/zinc/02/60/48/574026048.db2.gz ITHMDEYSRNRCNR-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN Nc1cnc(NCC2CCC2)cn1 87732311 574026056 /nfs/dbraw/zinc/02/60/56/574026056.db2.gz DWJPZUAGZBXXDS-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN Nc1cc(CC[C@@H]2CCCCO2)on1 85278470 574026059 /nfs/dbraw/zinc/02/60/59/574026059.db2.gz BFZQNTSKMXXSLA-QMMMGPOBSA-N 0 0 196.250 1.759 10 0 ADAERN Cc1c(N)noc1[C@H]1C[C@H]1C 85278172 574026074 /nfs/dbraw/zinc/02/60/74/574026074.db2.gz CVRXMYXMATZCOP-XINAWCOVSA-N 0 0 152.197 1.689 10 0 ADAERN Nc1cnc(OC2CCCCC2)cn1 87734136 574026075 /nfs/dbraw/zinc/02/60/75/574026075.db2.gz AEEJULANNBNVAJ-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN CC[C@H](C)c1cc(N)no1 85278390 574026079 /nfs/dbraw/zinc/02/60/79/574026079.db2.gz AABKRGPYNKNDNW-YFKPBYRVSA-N 0 0 140.186 1.770 10 0 ADAERN O=C(COC1CC1)c1cccnc1 716938586 574026089 /nfs/dbraw/zinc/02/60/89/574026089.db2.gz AHPBSTATIPKKKT-UHFFFAOYSA-N 0 0 177.203 1.443 10 0 ADAERN CCCN[C@@H](C)C(F)(F)F 85277523 574026091 /nfs/dbraw/zinc/02/60/91/574026091.db2.gz OLTMBIYTBODDJJ-YFKPBYRVSA-N 0 0 155.163 1.937 10 0 ADAERN Cc1cnc(F)c([C@@H]2CC[NH2+]2)c1 104521827 574026098 /nfs/dbraw/zinc/02/60/98/574026098.db2.gz XAXKOSCPOXXKGC-QMMMGPOBSA-N 0 0 166.199 1.564 10 0 ADAERN C[C@@]1(c2noc(N)n2)CCCCO1 87761181 574026101 /nfs/dbraw/zinc/02/61/01/574026101.db2.gz PSWSLKYZZLRYAS-QMMMGPOBSA-N 0 0 183.211 1.068 10 0 ADAERN CCN[C@]1(C(F)(F)F)CCOC1 85277397 574026107 /nfs/dbraw/zinc/02/61/07/574026107.db2.gz RZLOSHJDKJLTCL-ZCFIWIBFSA-N 0 0 183.173 1.317 10 0 ADAERN C[C@@]1([C@@H](O)C2CC2)CCCCO1 87761958 574026117 /nfs/dbraw/zinc/02/61/17/574026117.db2.gz JJDBNDUKZLPUPR-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@]1(C(=O)[C@@H]2CCOC2)CCCCO1 87761491 574026137 /nfs/dbraw/zinc/02/61/37/574026137.db2.gz UEUCKQKNFQTXKB-KOLCDFICSA-N 0 0 198.262 1.551 10 0 ADAERN CC(C)[C@@H](C)N(C)c1cnc(N)cn1 87733477 574026140 /nfs/dbraw/zinc/02/61/40/574026140.db2.gz VEEZZMXOYDXKCX-MRVPVSSYSA-N 0 0 194.282 1.540 10 0 ADAERN C[C@@H](O)c1c(N)cccc1O 259279878 574026145 /nfs/dbraw/zinc/02/61/45/574026145.db2.gz AFYWWOFJSWJLPU-RXMQYKEDSA-N 0 0 153.181 1.028 10 0 ADAERN CC1CCC(n2cc(C=O)nn2)CC1 85272125 574026146 /nfs/dbraw/zinc/02/61/46/574026146.db2.gz BYUXISCIXAMELQ-UHFFFAOYSA-N 0 0 193.250 1.842 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1cnc(N)cn1 87733975 574026153 /nfs/dbraw/zinc/02/61/53/574026153.db2.gz MRJCPZJVCDACKQ-SFYZADRCSA-N 0 0 192.266 1.151 10 0 ADAERN CCCCNc1cnc(N)cn1 87732224 574026159 /nfs/dbraw/zinc/02/61/59/574026159.db2.gz GTCRFGIODLJZSU-UHFFFAOYSA-N 0 0 166.228 1.271 10 0 ADAERN CCCN[C@H](C)C(F)(F)F 85277525 574026169 /nfs/dbraw/zinc/02/61/69/574026169.db2.gz OLTMBIYTBODDJJ-RXMQYKEDSA-N 0 0 155.163 1.937 10 0 ADAERN Cc1c(N)noc1-c1ccccn1 85278086 574026173 /nfs/dbraw/zinc/02/61/73/574026173.db2.gz TVLUYKKIRKWVEK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN C[C@@H](Nc1cnc(N)cn1)C1CC1 87732359 574026180 /nfs/dbraw/zinc/02/61/80/574026180.db2.gz VOCOWFOTIKCBOK-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN O=C([O-])c1cccnc1[C@@H]1CCC[NH2+]1 104517211 574026181 /nfs/dbraw/zinc/02/61/81/574026181.db2.gz YUTNTHRXUNDMAI-QMMMGPOBSA-N 0 0 192.218 1.204 10 0 ADAERN Nc1cnc(NC2CCCCC2)cn1 87732172 574026184 /nfs/dbraw/zinc/02/61/84/574026184.db2.gz LWMVEXYDIIZSQG-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN C[C@@]1(c2ncc(N)cn2)CCCCO1 87761272 574026222 /nfs/dbraw/zinc/02/62/22/574026222.db2.gz JHDMINUBVLTBLO-JTQLQIEISA-N 0 0 193.250 1.475 10 0 ADAERN C[C@]1(c2noc(N)n2)CCCCO1 87761178 574026241 /nfs/dbraw/zinc/02/62/41/574026241.db2.gz PSWSLKYZZLRYAS-MRVPVSSYSA-N 0 0 183.211 1.068 10 0 ADAERN C[NH2+][C@H](C)c1cccnc1OC 104521350 574026242 /nfs/dbraw/zinc/02/62/42/574026242.db2.gz GSGOWPPHNMKAJR-SSDOTTSWSA-N 0 0 166.224 1.371 10 0 ADAERN C[C@H]1C[C@H]1c1cc(N)no1 85278487 574026262 /nfs/dbraw/zinc/02/62/62/574026262.db2.gz PQRYAOICUYAZAP-CRCLSJGQSA-N 0 0 138.170 1.380 10 0 ADAERN CC(C)(ON)C1CC1 259280275 574026263 /nfs/dbraw/zinc/02/62/63/574026263.db2.gz AKVJPZFLZPKOLY-UHFFFAOYSA-N 0 0 115.176 1.065 10 0 ADAERN CC(C)(C)[C@@H](O)c1cnc(N)s1 104523337 574026280 /nfs/dbraw/zinc/02/62/80/574026280.db2.gz QLPKDEKADSWDJB-LURJTMIESA-N 0 0 186.280 1.805 10 0 ADAERN C[C@]1([C@@H](O)C2CC2)CCCCO1 87761956 574026285 /nfs/dbraw/zinc/02/62/85/574026285.db2.gz JJDBNDUKZLPUPR-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1cnc(N)cn1 87733973 574026288 /nfs/dbraw/zinc/02/62/88/574026288.db2.gz MRJCPZJVCDACKQ-JGVFFNPUSA-N 0 0 192.266 1.151 10 0 ADAERN C[NH2+][C@H](C)c1ccc(N(C)C)o1 104520114 574026295 /nfs/dbraw/zinc/02/62/95/574026295.db2.gz WEGRMHHHSNAVPY-SSDOTTSWSA-N 0 0 168.240 1.626 10 0 ADAERN Cc1cc(N)nc(CN(C)C(C)C)n1 87735290 574026311 /nfs/dbraw/zinc/02/63/11/574026311.db2.gz RAXLDJAQPOFKJT-UHFFFAOYSA-N 0 0 194.282 1.207 10 0 ADAERN C[C@@H](CC1CC1)Nc1cnc(N)cn1 87732839 574026328 /nfs/dbraw/zinc/02/63/28/574026328.db2.gz VKDAEMUOSHSTEB-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN Oc1cncc([C@@H]2CCC[NH2+]2)c1 104520807 574026345 /nfs/dbraw/zinc/02/63/45/574026345.db2.gz WUSBUJSXFKPPKA-VIFPVBQESA-N 0 0 164.208 1.212 10 0 ADAERN CC(=O)O[C@@H]1CCCCCC[C@H]1O 104517534 574026363 /nfs/dbraw/zinc/02/63/63/574026363.db2.gz RJUXQJLUPNFXAC-NXEZZACHSA-N 0 0 186.251 1.633 10 0 ADAERN C[NH2+][C@H](CO)c1cc2ccccc2o1 104523749 574026366 /nfs/dbraw/zinc/02/63/66/574026366.db2.gz OCDCKKLKILYNGP-SECBINFHSA-N 0 0 191.230 1.686 10 0 ADAERN CC(C)[C@@H](C)CNc1cnc(N)cn1 87733013 574026369 /nfs/dbraw/zinc/02/63/69/574026369.db2.gz GZXPKFSSTMJPSX-QMMMGPOBSA-N 0 0 194.282 1.763 10 0 ADAERN C[C@]1(c2ncc(N)cn2)CCCCO1 87761270 574026374 /nfs/dbraw/zinc/02/63/74/574026374.db2.gz JHDMINUBVLTBLO-SNVBAGLBSA-N 0 0 193.250 1.475 10 0 ADAERN CCN(C)Cc1nc(C)cc(NC)n1 87735307 574026379 /nfs/dbraw/zinc/02/63/79/574026379.db2.gz VNBQRAUWQUUYQZ-UHFFFAOYSA-N 0 0 194.282 1.278 10 0 ADAERN CCCCC(=O)N1CC(CF)C1 585390090 574026388 /nfs/dbraw/zinc/02/63/88/574026388.db2.gz CNBOKMYTHGMKJN-UHFFFAOYSA-N 0 0 173.231 1.605 10 0 ADAERN CC1(C)CC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 87772732 574027537 /nfs/dbraw/zinc/02/75/37/574027537.db2.gz YGTTZFSABLTJRS-LLVKDONJSA-N 0 0 197.278 1.772 10 0 ADAERN CC(C)(C)C(=O)c1cnc(N)s1 104523326 574026392 /nfs/dbraw/zinc/02/63/92/574026392.db2.gz LQQNCASFTQXJFO-UHFFFAOYSA-N 0 0 184.264 1.954 10 0 ADAERN C[C@]1(C(N)=S)CCCCO1 87761149 574026395 /nfs/dbraw/zinc/02/63/95/574026395.db2.gz LVQJGEZFOINTHO-SSDOTTSWSA-N 0 0 159.254 1.232 10 0 ADAERN CC(C)(C)[C@H](O)c1cnc(N)s1 104523332 574026400 /nfs/dbraw/zinc/02/64/00/574026400.db2.gz QLPKDEKADSWDJB-ZCFIWIBFSA-N 0 0 186.280 1.805 10 0 ADAERN C[C@@H]1CCCN1c1cnc(N)cn1 87733531 574026409 /nfs/dbraw/zinc/02/64/09/574026409.db2.gz OTFBPAWCBROPEE-SSDOTTSWSA-N 0 0 178.239 1.048 10 0 ADAERN CC(C)[C@H](O)[C@]1(C)CCCCO1 87761825 574026412 /nfs/dbraw/zinc/02/64/12/574026412.db2.gz TYCACCQTTBHQFJ-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1cnc(N)cn1 87733971 574026416 /nfs/dbraw/zinc/02/64/16/574026416.db2.gz MRJCPZJVCDACKQ-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN CCN(C)Cc1nc(C)cc(Cl)n1 87735009 574026417 /nfs/dbraw/zinc/02/64/17/574026417.db2.gz JWMVTMVWHXCLDK-UHFFFAOYSA-N 0 0 199.685 1.890 10 0 ADAERN O=C([O-])c1cnccc1[C@@H]1CCC[NH2+]1 104521842 574026419 /nfs/dbraw/zinc/02/64/19/574026419.db2.gz XYKSMEXZALXSSW-VIFPVBQESA-N 0 0 192.218 1.204 10 0 ADAERN CC1(C)C[C@@H]1Nc1cnc(N)cn1 87732564 574026428 /nfs/dbraw/zinc/02/64/28/574026428.db2.gz WYGWSMYBIBPXNX-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN CC(C)(C)Oc1cccc(N)n1 87731602 574026437 /nfs/dbraw/zinc/02/64/37/574026437.db2.gz CHFVJYCPRSRAND-UHFFFAOYSA-N 0 0 166.224 1.841 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cccnc1C(=O)[O-] 104517874 574026441 /nfs/dbraw/zinc/02/64/41/574026441.db2.gz KKYUQFSOEATLCD-MRVPVSSYSA-N 0 0 194.234 1.436 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1cnc(N)cn1 87733977 574026443 /nfs/dbraw/zinc/02/64/43/574026443.db2.gz MRJCPZJVCDACKQ-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN CCC[C@@H]([NH3+])c1ccc(O)cn1 104519937 574026475 /nfs/dbraw/zinc/02/64/75/574026475.db2.gz YVZAPDAZMJASQG-MRVPVSSYSA-N 0 0 166.224 1.587 10 0 ADAERN CC[C@@H](O)[C@]1(C)CCCCO1 87761920 574026483 /nfs/dbraw/zinc/02/64/83/574026483.db2.gz FXOBDMVHDDPDQK-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN Nc1cnc(OC2CCCC2)cn1 87734139 574026489 /nfs/dbraw/zinc/02/64/89/574026489.db2.gz XNIZJYVLTZILNU-UHFFFAOYSA-N 0 0 179.223 1.380 10 0 ADAERN CN1CC(C)(C)Nc2ccc(N)cc21 259280180 574026493 /nfs/dbraw/zinc/02/64/93/574026493.db2.gz PMPZITVSLQRZGF-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN CN(CC(C)(C)C)c1cnc(N)cn1 87733737 574026515 /nfs/dbraw/zinc/02/65/15/574026515.db2.gz DUQQAPWHEBJXMX-UHFFFAOYSA-N 0 0 194.282 1.541 10 0 ADAERN CC[C@H](C)[C@@H](C)Nc1cnc(N)cn1 87732558 574026525 /nfs/dbraw/zinc/02/65/25/574026525.db2.gz GLYGCPOLZREYMW-JGVFFNPUSA-N 0 0 194.282 1.905 10 0 ADAERN COc1cc(N)c(Cl)cc1CO 104523479 574026526 /nfs/dbraw/zinc/02/65/26/574026526.db2.gz WGDQZIDPBGIQGY-UHFFFAOYSA-N 0 0 187.626 1.423 10 0 ADAERN COCC(=O)[C@]1(C)CCCCO1 87761594 574026540 /nfs/dbraw/zinc/02/65/40/574026540.db2.gz HIXTYVRXCUTRBN-VIFPVBQESA-N 0 0 172.224 1.161 10 0 ADAERN CC[C@H](C)CNc1cnc(N)cn1 87732749 574026544 /nfs/dbraw/zinc/02/65/44/574026544.db2.gz BFYBWANQZZBGRR-ZETCQYMHSA-N 0 0 180.255 1.517 10 0 ADAERN C[C@@H]1C(=O)Nc2cccc(N)c2N1C 259280004 574026545 /nfs/dbraw/zinc/02/65/45/574026545.db2.gz PLDOVNVOIJBDJC-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN CC[C@@H](C)Sc1cnc(N)cn1 87734495 574026546 /nfs/dbraw/zinc/02/65/46/574026546.db2.gz LIQNIBQEQIVIOA-ZCFIWIBFSA-N 0 0 183.280 1.949 10 0 ADAERN CCCC[C@@H]1CO[C@@]2(C)CCC(=O)N12 104517642 574026547 /nfs/dbraw/zinc/02/65/47/574026547.db2.gz RQUSMRQGALKGLD-KOLCDFICSA-N 0 0 197.278 1.914 10 0 ADAERN COc1c(C)cc(CNN)cc1C 259279313 574026548 /nfs/dbraw/zinc/02/65/48/574026548.db2.gz JERXAFWPDAZWDN-UHFFFAOYSA-N 0 0 180.251 1.275 10 0 ADAERN Nc1cccc(OC2CCOCC2)n1 87731800 574026560 /nfs/dbraw/zinc/02/65/60/574026560.db2.gz JUSOMQOGMIMJOT-UHFFFAOYSA-N 0 0 194.234 1.222 10 0 ADAERN COc1cccnc1[C@@H]1CC[NH2+]1 104522448 574026567 /nfs/dbraw/zinc/02/65/67/574026567.db2.gz JPVIVVJBFJVRNX-ZETCQYMHSA-N 0 0 164.208 1.125 10 0 ADAERN C/C=C/COc1cnc(N)cn1 87734334 574026568 /nfs/dbraw/zinc/02/65/68/574026568.db2.gz VBWPSQUEPSCETI-NSCUHMNNSA-N 0 0 165.196 1.014 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1cnc(N)cn1 87732556 574026572 /nfs/dbraw/zinc/02/65/72/574026572.db2.gz GLYGCPOLZREYMW-HTQZYQBOSA-N 0 0 194.282 1.905 10 0 ADAERN O=C([O-])c1ccncc1[C@@H]1CCC[NH2+]1 104520793 574026574 /nfs/dbraw/zinc/02/65/74/574026574.db2.gz PLCWXKXDPOFHLA-VIFPVBQESA-N 0 0 192.218 1.204 10 0 ADAERN CCCC(=O)N1CC(CF)C1 585390134 574026597 /nfs/dbraw/zinc/02/65/97/574026597.db2.gz FQRCICVYVSKHAN-UHFFFAOYSA-N 0 0 159.204 1.214 10 0 ADAERN C[C@@H]1CN(c2cnc(N)cn2)C[C@H]1C 87734053 574026602 /nfs/dbraw/zinc/02/66/02/574026602.db2.gz WRVHZZMYHYSZBL-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN O=c1cc(-c2ccc(F)cc2F)[n-][nH]1 104522145 574026603 /nfs/dbraw/zinc/02/66/03/574026603.db2.gz QFVBOSHFGAFWMG-UHFFFAOYSA-N 0 0 196.156 1.189 10 0 ADAERN Nc1cccc(OCC(F)(F)F)n1 87731629 574026609 /nfs/dbraw/zinc/02/66/09/574026609.db2.gz OFSAVTBTTQXLSP-UHFFFAOYSA-N 0 0 192.140 1.605 10 0 ADAERN CCOC[C@H](O)[C@]1(C)CCCCO1 87762231 574026639 /nfs/dbraw/zinc/02/66/39/574026639.db2.gz MCTQNFXXUOSJDF-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN Nc1cnc(NCCC2CC2)cn1 87733072 574026653 /nfs/dbraw/zinc/02/66/53/574026653.db2.gz GJHYPGQOYICLIK-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN C[NH2+][C@H](C)c1ccc(CO)o1 104522510 574026672 /nfs/dbraw/zinc/02/66/72/574026672.db2.gz CQMVXKVUOJGOKP-ZCFIWIBFSA-N 0 0 155.197 1.052 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1cnc(N)cn1 87732847 574026681 /nfs/dbraw/zinc/02/66/81/574026681.db2.gz UYTCIQCMUJLIPD-HTQZYQBOSA-N 0 0 192.266 1.659 10 0 ADAERN CC(C)[C@@H](C)Nc1cnc(N)cn1 87732162 574026691 /nfs/dbraw/zinc/02/66/91/574026691.db2.gz YKXNQTWSEPKKAY-SSDOTTSWSA-N 0 0 180.255 1.515 10 0 ADAERN CC1(Nc2cnc(N)cn2)CCCC1 87732524 574026694 /nfs/dbraw/zinc/02/66/94/574026694.db2.gz KRLYJYZNHJTKJR-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN Nc1cnc(NC2CCC2)cn1 87732792 574026697 /nfs/dbraw/zinc/02/66/97/574026697.db2.gz WYOJHPFPDBDKAL-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CCc1c(N)noc1-c1cc[nH]n1 85278845 574026698 /nfs/dbraw/zinc/02/66/98/574026698.db2.gz XFPCJNCKXBWLFE-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN CC[C@@H]([NH3+])c1cnccc1C(=O)[O-] 104522367 574026700 /nfs/dbraw/zinc/02/67/00/574026700.db2.gz RSFLANLREXBQBB-MRVPVSSYSA-N 0 0 180.207 1.190 10 0 ADAERN CC[C@H](O)[C@@]1(C)CCCCO1 87761924 574026712 /nfs/dbraw/zinc/02/67/12/574026712.db2.gz FXOBDMVHDDPDQK-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@]1(C(=O)[C@@H]2CCOC2)CCCCO1 87761490 574026731 /nfs/dbraw/zinc/02/67/31/574026731.db2.gz UEUCKQKNFQTXKB-MWLCHTKSSA-N 0 0 198.262 1.551 10 0 ADAERN CC(C)(C)CNc1cnc(N)cn1 87732495 574026734 /nfs/dbraw/zinc/02/67/34/574026734.db2.gz VZRHCHNQNJNORR-UHFFFAOYSA-N 0 0 180.255 1.517 10 0 ADAERN CC(C)[C@@H](O)[C@]1(C)CCCCO1 87761826 574026739 /nfs/dbraw/zinc/02/67/39/574026739.db2.gz TYCACCQTTBHQFJ-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H]1CN(c2cnc(N)cn2)C[C@@H]1C 87734050 574026746 /nfs/dbraw/zinc/02/67/46/574026746.db2.gz WRVHZZMYHYSZBL-OCAPTIKFSA-N 0 0 192.266 1.151 10 0 ADAERN CCc1c(N)noc1-c1c[nH]nc1C 85278678 574026795 /nfs/dbraw/zinc/02/67/95/574026795.db2.gz DMZXMCJTUJHQJF-UHFFFAOYSA-N 0 0 192.222 1.518 10 0 ADAERN CC(C)Cc1conc1N 85278965 574026797 /nfs/dbraw/zinc/02/67/97/574026797.db2.gz JFNDOFMENRORHE-UHFFFAOYSA-N 0 0 140.186 1.455 10 0 ADAERN CCc1c(N)noc1C1CC1 85278784 574027570 /nfs/dbraw/zinc/02/75/70/574027570.db2.gz VWKLYXYBAJCZEX-UHFFFAOYSA-N 0 0 152.197 1.697 10 0 ADAERN O=Cc1n[nH]c2c1[C@H](F)CC2 258467065 574026838 /nfs/dbraw/zinc/02/68/38/574026838.db2.gz HTVNRQMNLJPKEK-SCSAIBSYSA-N 0 0 154.144 1.179 10 0 ADAERN Cc1nc(C=O)oc1CC(C)C 258467026 574026866 /nfs/dbraw/zinc/02/68/66/574026866.db2.gz HTGPNVAHEYJPIX-UHFFFAOYSA-N 0 0 167.208 1.994 10 0 ADAERN COC(=O)[C@@H](O)[C@H]1CCC(C)(C)C1 87770987 574026889 /nfs/dbraw/zinc/02/68/89/574026889.db2.gz ZOHHDMRZWVNLGI-YUMQZZPRSA-N 0 0 186.251 1.347 10 0 ADAERN CC1(C)CC[C@H]([NH2+]CC(=O)[O-])C1 87769835 574026912 /nfs/dbraw/zinc/02/69/12/574026912.db2.gz QKOYLKCKPUBXFD-ZETCQYMHSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H](O)c1c(N)cccc1O 259279880 574026934 /nfs/dbraw/zinc/02/69/34/574026934.db2.gz AFYWWOFJSWJLPU-YFKPBYRVSA-N 0 0 153.181 1.028 10 0 ADAERN CNc1nc([C@]2(C)CCCCO2)no1 87764648 574027571 /nfs/dbraw/zinc/02/75/71/574027571.db2.gz DSQMCCOJPATABY-VIFPVBQESA-N 0 0 197.238 1.527 10 0 ADAERN CC1(C)CC[C@H](CO)C1 87770875 574026966 /nfs/dbraw/zinc/02/69/66/574026966.db2.gz LSZXVUJJTONWHR-ZETCQYMHSA-N 0 0 128.215 1.805 10 0 ADAERN C[C@H]1C(=O)Nc2c(O)cccc2N1C 259279972 574027011 /nfs/dbraw/zinc/02/70/11/574027011.db2.gz PKYOWJOUPQNWDN-LURJTMIESA-N 0 0 192.218 1.169 10 0 ADAERN CN(O)CC[C@@H]1CCSC1 258466962 574027049 /nfs/dbraw/zinc/02/70/49/574027049.db2.gz HSZGFQGHVVLOGD-SSDOTTSWSA-N 0 0 161.270 1.451 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCC(C)(C)C1 87772727 574027062 /nfs/dbraw/zinc/02/70/62/574027062.db2.gz SSNKREHNWDWFSD-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)OCCOc1cccnc1N 49258848 574027079 /nfs/dbraw/zinc/02/70/79/574027079.db2.gz GJDYFWJWOKRTPY-UHFFFAOYSA-N 0 0 196.250 1.468 10 0 ADAERN CC(C)(C)Cc1cc(CO)no1 259280258 574027121 /nfs/dbraw/zinc/02/71/21/574027121.db2.gz PNRFPEGMSNAQBQ-UHFFFAOYSA-N 0 0 169.224 1.756 10 0 ADAERN COC(=N)[C@]1(C)CCCCO1 87764362 574027122 /nfs/dbraw/zinc/02/71/22/574027122.db2.gz HCYCCCXWVFWFDT-QMMMGPOBSA-N 0 0 157.213 1.569 10 0 ADAERN C[C@@]1(c2nc(CO)c[nH]2)CCCCO1 87764772 574027129 /nfs/dbraw/zinc/02/71/29/574027129.db2.gz OFJTXDPWPBONGR-JTQLQIEISA-N 0 0 196.250 1.318 10 0 ADAERN CN[C@@]1(C(=O)OC)CCC(C)(C)C1 87772743 574027442 /nfs/dbraw/zinc/02/74/42/574027442.db2.gz QZRXAFQLAUBXOL-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CCOC(=O)N1CC(C(F)F)C1 585391140 574027150 /nfs/dbraw/zinc/02/71/50/574027150.db2.gz HWFRJNAUZMQARY-UHFFFAOYSA-N 0 0 179.166 1.340 10 0 ADAERN COC(=N)[C@@]1(C)CCCCO1 87764359 574027185 /nfs/dbraw/zinc/02/71/85/574027185.db2.gz HCYCCCXWVFWFDT-MRVPVSSYSA-N 0 0 157.213 1.569 10 0 ADAERN CC1(C)CC[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 87772733 574027298 /nfs/dbraw/zinc/02/72/98/574027298.db2.gz YGTTZFSABLTJRS-NSHDSACASA-N 0 0 197.278 1.772 10 0 ADAERN CC(C)CCC(=O)N1CC(CF)C1 585390071 574027308 /nfs/dbraw/zinc/02/73/08/574027308.db2.gz BMQKYAGQKDXYHZ-UHFFFAOYSA-N 0 0 187.258 1.851 10 0 ADAERN CCc1c(N)noc1CC1CC1 85278810 574027351 /nfs/dbraw/zinc/02/73/51/574027351.db2.gz KVHFIYHEXSVSHQ-UHFFFAOYSA-N 0 0 166.224 1.772 10 0 ADAERN COC(=O)c1c(OC)ccc(C)c1N 87766808 574027335 /nfs/dbraw/zinc/02/73/35/574027335.db2.gz FBEMLWRASRVIPG-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN CCc1c(N)noc1[C@@H]1CCCOC1 85278782 574027424 /nfs/dbraw/zinc/02/74/24/574027424.db2.gz JVEDEUKAOPMFJG-SSDOTTSWSA-N 0 0 196.250 1.713 10 0 ADAERN CCc1c(N)noc1[C@@H]1C[C@@H]1C 85278730 574027427 /nfs/dbraw/zinc/02/74/27/574027427.db2.gz GUYRFTKCNQVZHC-CAHLUQPWSA-N 0 0 166.224 1.943 10 0 ADAERN CCc1c(N)noc1C(C)C 85278848 574027429 /nfs/dbraw/zinc/02/74/29/574027429.db2.gz UNGQYTMRONCQFN-UHFFFAOYSA-N 0 0 154.213 1.943 10 0 ADAERN Cc1ccccc1[C@@H]([NH3+])/C=C/C(=O)[O-] 259284762 574028971 /nfs/dbraw/zinc/02/89/71/574028971.db2.gz HNBDUGLYRAYAKP-FGEFZZPRSA-N 0 0 191.230 1.636 10 0 ADAERN COc1ccc(C)c(N)c1OC 223767093 574028990 /nfs/dbraw/zinc/02/89/90/574028990.db2.gz HCNOUVXMGDXBIN-UHFFFAOYSA-N 0 0 167.208 1.594 10 0 ADAERN FCCNc1ccc2c(c1)OCO2 87774682 574028879 /nfs/dbraw/zinc/02/88/79/574028879.db2.gz JZUWTEZACOIHNX-UHFFFAOYSA-N 0 0 183.182 1.797 10 0 ADAERN CCOCCc1onc(N)c1CC 85278791 574028484 /nfs/dbraw/zinc/02/84/84/574028484.db2.gz HJDZIZDQTVJWNS-UHFFFAOYSA-N 0 0 184.239 1.398 10 0 ADAERN Cc1onc(N)c1CC(C)C 85278941 574028493 /nfs/dbraw/zinc/02/84/93/574028493.db2.gz HUBSTTXKGXSOAA-UHFFFAOYSA-N 0 0 154.213 1.764 10 0 ADAERN C[C@@H]1CNc2ccc(N)cc2OC1 259283521 574028506 /nfs/dbraw/zinc/02/85/06/574028506.db2.gz PSKNNJFXEDYAQE-SSDOTTSWSA-N 0 0 178.235 1.709 10 0 ADAERN CCOc1ccc(SNN)cc1 259285128 574028903 /nfs/dbraw/zinc/02/89/03/574028903.db2.gz SCOHMTLPVMCGCG-UHFFFAOYSA-N 0 0 184.264 1.556 10 0 ADAERN CCc1c(N)noc1[C@H]1C[C@H]1C 85278735 574028519 /nfs/dbraw/zinc/02/85/19/574028519.db2.gz GUYRFTKCNQVZHC-VDTYLAMSSA-N 0 0 166.224 1.943 10 0 ADAERN COC(=O)[C@@H](O)[C@@H]1CCC(C)(C)C1 87770988 574028535 /nfs/dbraw/zinc/02/85/35/574028535.db2.gz ZOHHDMRZWVNLGI-SFYZADRCSA-N 0 0 186.251 1.347 10 0 ADAERN CCn1cncc1[C@H]1NC[C@@H](C)S1 85301372 574028910 /nfs/dbraw/zinc/02/89/10/574028910.db2.gz HMORLQSYCUKLRI-APPZFPTMSA-N 0 0 197.307 1.627 10 0 ADAERN Cc1ccc(-c2cnc(N)o2)o1 259284592 574028641 /nfs/dbraw/zinc/02/86/41/574028641.db2.gz VUZSKNKCROUDCB-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C1CCC(S[C@@H]2COCCN2)C1 259285179 574028645 /nfs/dbraw/zinc/02/86/45/574028645.db2.gz SEOHRIGUGMPNCD-SECBINFHSA-N 0 0 187.308 1.608 10 0 ADAERN CO[C@@H](C)Cc1cccc(CON)c1 259284880 574028655 /nfs/dbraw/zinc/02/86/55/574028655.db2.gz BRLCXBGCONEFGN-VIFPVBQESA-N 0 0 195.262 1.654 10 0 ADAERN CC1(C)CC[C@@]2(CNC(=O)O2)C1 87773832 574028672 /nfs/dbraw/zinc/02/86/72/574028672.db2.gz NQFGJMITLFGUBI-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN CC1(C)CC[C@@](O)([C@@H]2CCOC2)C1 87773251 574028684 /nfs/dbraw/zinc/02/86/84/574028684.db2.gz XOKMLCUXNSKGMA-KOLCDFICSA-N 0 0 184.279 1.964 10 0 ADAERN CCOC(=O)[C@@]1(O)CCC(C)(C)C1 87773445 574028686 /nfs/dbraw/zinc/02/86/86/574028686.db2.gz ACRMLMWUQYSGDB-SNVBAGLBSA-N 0 0 186.251 1.491 10 0 ADAERN C[NH2+][C@@H](Sc1ccccc1)C(=O)[O-] 259285156 574028746 /nfs/dbraw/zinc/02/87/46/574028746.db2.gz SDWRLMKHFFIANF-QMMMGPOBSA-N 0 0 197.259 1.409 10 0 ADAERN Cn1nccc1[C@@]1(O)CCC(C)(C)C1 87773144 574028756 /nfs/dbraw/zinc/02/87/56/574028756.db2.gz BGSWDQKTJSESSM-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN FCCNCC(F)(F)F 87774687 574028768 /nfs/dbraw/zinc/02/87/68/574028768.db2.gz JASLBQQVOQJOAK-UHFFFAOYSA-N 0 0 145.099 1.108 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccncn2)S1 85300898 574028782 /nfs/dbraw/zinc/02/87/82/574028782.db2.gz MWOYOUAOWRDVCR-HTRCEHHLSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@H](C(=O)[O-])[N@H+](C)[C@@H]1CCC(C)(C)C1 87773714 574028785 /nfs/dbraw/zinc/02/87/85/574028785.db2.gz XWBCQIKGVBXLAG-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN CC1(C)CC[C@@H]([C@H]2CC(=O)NC2=O)C1 87773659 574028792 /nfs/dbraw/zinc/02/87/92/574028792.db2.gz RIHAJVJDEFTPPV-HTQZYQBOSA-N 0 0 195.262 1.475 10 0 ADAERN CC(C)(O)Cc1ccccc1CON 259284958 574028804 /nfs/dbraw/zinc/02/88/04/574028804.db2.gz BSHIPBTUYAFJCY-UHFFFAOYSA-N 0 0 195.262 1.390 10 0 ADAERN C[NH+](C)[C@]1(C(=O)[O-])CCC(C)(C)C1 87773372 574028805 /nfs/dbraw/zinc/02/88/05/574028805.db2.gz SXDIEGDAHXZLRK-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN CCn1cncc1[C@@H]1NC[C@H](C)S1 85301369 574028812 /nfs/dbraw/zinc/02/88/12/574028812.db2.gz HMORLQSYCUKLRI-IONNQARKSA-N 0 0 197.307 1.627 10 0 ADAERN FCCNc1ccc2c(c1)OCCO2 87774626 574028822 /nfs/dbraw/zinc/02/88/22/574028822.db2.gz KYDMTODVYQYCHZ-UHFFFAOYSA-N 0 0 197.209 1.839 10 0 ADAERN COC(=O)c1n[nH]c2ccc(C)nc12 259283697 574028834 /nfs/dbraw/zinc/02/88/34/574028834.db2.gz AMTGALKEWCNYLY-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN CC1(C)CC[C@H]([C@H]2CC(=O)NC2=O)C1 87773658 574028839 /nfs/dbraw/zinc/02/88/39/574028839.db2.gz RIHAJVJDEFTPPV-JGVFFNPUSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@H]1CN[C@H](c2ccncn2)S1 85300894 574028857 /nfs/dbraw/zinc/02/88/57/574028857.db2.gz MWOYOUAOWRDVCR-XPUUQOCRSA-N 0 0 181.264 1.200 10 0 ADAERN CC1(C)CC[C@]2(CC(=O)N2)C1 87773673 574028939 /nfs/dbraw/zinc/02/89/39/574028939.db2.gz ZRNBOXIZBXBIGF-VIFPVBQESA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@H]1CS[C@H](c2ccncn2)N1 85309459 574031316 /nfs/dbraw/zinc/03/13/16/574031316.db2.gz NXLXWPJMXQDQRZ-HTRCEHHLSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@@H]1CS[C@@H](c2ccncn2)N1 85309463 574031327 /nfs/dbraw/zinc/03/13/27/574031327.db2.gz NXLXWPJMXQDQRZ-SVRRBLITSA-N 0 0 181.264 1.200 10 0 ADAERN CC1(C)CC[C@]2(C1)NC(=O)N=C2N 87774017 574029994 /nfs/dbraw/zinc/02/99/94/574029994.db2.gz JZENZYYEFDXWMT-SECBINFHSA-N 0 0 181.239 1.225 10 0 ADAERN CCCCc1nnc(NC=O)s1 111914870 574030001 /nfs/dbraw/zinc/03/00/01/574030001.db2.gz AJHUXYARXWHGHF-UHFFFAOYSA-N 0 0 185.252 1.449 10 0 ADAERN COC(=O)/C(F)=C/C1CCC1 258467177 574029952 /nfs/dbraw/zinc/02/99/52/574029952.db2.gz HVJKEHKASMIPKC-ALCCZGGFSA-N 0 0 158.172 1.813 10 0 ADAERN CC1(C)CC[C@H]([NH+]2CC(C(=O)[O-])C2)C1 87773755 574030053 /nfs/dbraw/zinc/03/00/53/574030053.db2.gz AFFDGHNYZLANOD-VIFPVBQESA-N 0 0 197.278 1.582 10 0 ADAERN COC[C@]1(O)CCC(C)(C)C1 87773323 574030056 /nfs/dbraw/zinc/03/00/56/574030056.db2.gz IBPDPKDRSMEQGQ-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC1(C)CC[C@](O)([C@@H]2CCOC2)C1 87773250 574030062 /nfs/dbraw/zinc/03/00/62/574030062.db2.gz XOKMLCUXNSKGMA-MWLCHTKSSA-N 0 0 184.279 1.964 10 0 ADAERN Nc1ncccc1OCCF 87774125 574030107 /nfs/dbraw/zinc/03/01/07/574030107.db2.gz GWKIQNVTPZKEBF-UHFFFAOYSA-N 0 0 156.160 1.012 10 0 ADAERN C[C@H]1CN[C@H](c2cnn(C)c2)S1 85302356 574030115 /nfs/dbraw/zinc/03/01/15/574030115.db2.gz JKAXKWBVNXCSKF-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN CC1(C)CC[C@]2(CNC(=O)O2)C1 87773831 574030136 /nfs/dbraw/zinc/03/01/36/574030136.db2.gz NQFGJMITLFGUBI-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN CC1(C)CC[C@]2(COC(=O)N2)C1 87773827 574030150 /nfs/dbraw/zinc/03/01/50/574030150.db2.gz ACMHBIOVHNHTND-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN CC(C)(ON)c1ccccc1O 259284138 574030164 /nfs/dbraw/zinc/03/01/64/574030164.db2.gz AMCKPBXWXAXCDU-UHFFFAOYSA-N 0 0 167.208 1.518 10 0 ADAERN CCn1cncc1[C@@H]1NC[C@@H](C)S1 85301371 574030178 /nfs/dbraw/zinc/03/01/78/574030178.db2.gz HMORLQSYCUKLRI-VXNVDRBHSA-N 0 0 197.307 1.627 10 0 ADAERN C[C@H]1CCc2c(C(N)=O)cncc21 111960343 574030184 /nfs/dbraw/zinc/03/01/84/574030184.db2.gz CPWSAKUPXWXJPQ-LURJTMIESA-N 0 0 176.219 1.230 10 0 ADAERN CC(C)(C)[C@@]1(C)COC(=O)C1 258467135 574030207 /nfs/dbraw/zinc/03/02/07/574030207.db2.gz HUZUQUSFAUALPG-SECBINFHSA-N 0 0 156.225 1.986 10 0 ADAERN COCCCc1cn2c(n1)CCCC2 258468826 574030212 /nfs/dbraw/zinc/03/02/12/574030212.db2.gz QDZLKCMBRNLAHP-UHFFFAOYSA-N 0 0 194.278 1.798 10 0 ADAERN C[C@@H]1CN[C@H](c2ccco2)C[S@@]1=O 85304977 574030273 /nfs/dbraw/zinc/03/02/73/574030273.db2.gz VIZJEVQUEQXYFS-BFHDXFOESA-N 0 0 199.275 1.061 10 0 ADAERN CC(=O)c1cc2c(cc1O)CCCO2 111905174 574030281 /nfs/dbraw/zinc/03/02/81/574030281.db2.gz NESDMCGUYCOYQH-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN C[C@@H]1CN[C@H](C(F)(F)F)CS1 85303514 574030300 /nfs/dbraw/zinc/03/03/00/574030300.db2.gz NXWMYZHAGBAGDC-UHNVWZDZSA-N 0 0 185.214 1.642 10 0 ADAERN C[C@@H]1CN[C@H](c2cnn(C)c2)S1 85302354 574030304 /nfs/dbraw/zinc/03/03/04/574030304.db2.gz JKAXKWBVNXCSKF-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN Cc1ccc2c(c1)OC[C@H](C)C(=O)N2 259283317 574030306 /nfs/dbraw/zinc/03/03/06/574030306.db2.gz PQZHSNLHKPLIAQ-QMMMGPOBSA-N 0 0 191.230 1.962 10 0 ADAERN O[C@H]1COc2cc(OCCF)ccc21 87775993 574030326 /nfs/dbraw/zinc/03/03/26/574030326.db2.gz PTLGXGDCVDTEDX-VIFPVBQESA-N 0 0 198.193 1.461 10 0 ADAERN O=C(c1ccc(F)cc1)C1(CO)CC1 259281921 574030335 /nfs/dbraw/zinc/03/03/35/574030335.db2.gz VCWOQZFJSJTEGX-UHFFFAOYSA-N 0 0 194.205 1.781 10 0 ADAERN OCCCCc1ccc2c(c1)CCN2 259284094 574030342 /nfs/dbraw/zinc/03/03/42/574030342.db2.gz TWIDSBGNATWAMW-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN C[C@H]1CN[C@@H](c2cncn2C)S1 85301534 574030360 /nfs/dbraw/zinc/03/03/60/574030360.db2.gz YGEZDFJWJZSOSI-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN Nc1ccc2c(c1)CCN2CCF 87775873 574030438 /nfs/dbraw/zinc/03/04/38/574030438.db2.gz IEBGIIWXEAFHID-UHFFFAOYSA-N 0 0 180.226 1.601 10 0 ADAERN Nc1ccc(SCCF)cn1 87775739 574030471 /nfs/dbraw/zinc/03/04/71/574030471.db2.gz BTCMETZSLOPHLH-UHFFFAOYSA-N 0 0 172.228 1.725 10 0 ADAERN Nc1ccc(SCCF)nc1 87775738 574030562 /nfs/dbraw/zinc/03/05/62/574030562.db2.gz KFXUTFARIAWPPC-UHFFFAOYSA-N 0 0 172.228 1.725 10 0 ADAERN C[C@@H]1CN[C@H](c2cncn2C)S1 85301524 574030582 /nfs/dbraw/zinc/03/05/82/574030582.db2.gz YGEZDFJWJZSOSI-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN CCOc1ccc([C@H](O)[NH2+]C)cc1C 259286418 574030601 /nfs/dbraw/zinc/03/06/01/574030601.db2.gz INGASSNSYRDQHU-NSHDSACASA-N 0 0 195.262 1.604 10 0 ADAERN COC(=O)C1(CC2CCCC2)COC1 259285550 574030624 /nfs/dbraw/zinc/03/06/24/574030624.db2.gz JMEDSOQXJSPKAE-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN FCCNOCc1ccccc1 87775275 574030629 /nfs/dbraw/zinc/03/06/29/574030629.db2.gz OIBAZHOPPJKLHD-UHFFFAOYSA-N 0 0 169.199 1.677 10 0 ADAERN Nc1ccc2c(c1)CN(CCF)C2 87775918 574030632 /nfs/dbraw/zinc/03/06/32/574030632.db2.gz JTTIVUBHLYMCIG-UHFFFAOYSA-N 0 0 180.226 1.554 10 0 ADAERN Nc1ccc2c(c1)N(CCF)CCC2 87775906 574030646 /nfs/dbraw/zinc/03/06/46/574030646.db2.gz AYVQFVRHQLVTCC-UHFFFAOYSA-N 0 0 194.253 1.991 10 0 ADAERN CC(C)[C@@H](CO)c1ccncc1 259286139 574030647 /nfs/dbraw/zinc/03/06/47/574030647.db2.gz PPSMPLGEKASCGR-SNVBAGLBSA-N 0 0 165.236 1.814 10 0 ADAERN C[NH2+][C@H](C(C)C)C1(C(=O)[O-])CCC1 259286016 574030650 /nfs/dbraw/zinc/03/06/50/574030650.db2.gz POKMFZNSKTWUFY-MRVPVSSYSA-N 0 0 185.267 1.485 10 0 ADAERN C[NH2+][C@@H](C(C)C)C1(C(=O)[O-])CCC1 259286018 574030654 /nfs/dbraw/zinc/03/06/54/574030654.db2.gz POKMFZNSKTWUFY-QMMMGPOBSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)[C@@H](C)CCF 87776201 574030655 /nfs/dbraw/zinc/03/06/55/574030655.db2.gz VVOAEYVWURFNMO-YFKPBYRVSA-N 0 0 118.151 1.571 10 0 ADAERN FCCN[C@@H]1COc2ccccc21 87775204 574030696 /nfs/dbraw/zinc/03/06/96/574030696.db2.gz MHMNKSCEARPGPH-SECBINFHSA-N 0 0 181.210 1.679 10 0 ADAERN CC[C@@H](CCF)C(C)=O 87776203 574030704 /nfs/dbraw/zinc/03/07/04/574030704.db2.gz KJAJRQUIJAJAAS-ZETCQYMHSA-N 0 0 132.178 1.961 10 0 ADAERN Cc1nc2ccc(NN)cc2o1 259286082 574030708 /nfs/dbraw/zinc/03/07/08/574030708.db2.gz PPFMYRXLNMYKHL-UHFFFAOYSA-N 0 0 163.180 1.422 10 0 ADAERN C[C@H]1CN[C@H](c2cncn2C)S1 85301528 574030721 /nfs/dbraw/zinc/03/07/21/574030721.db2.gz YGEZDFJWJZSOSI-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN FCCNn1cccc1 87775362 574030728 /nfs/dbraw/zinc/03/07/28/574030728.db2.gz VZQLVMDTXYMZMH-UHFFFAOYSA-N 0 0 128.150 1.001 10 0 ADAERN CCCn1[nH]c(=O)c2cc(N)ccc21 143845274 574030730 /nfs/dbraw/zinc/03/07/30/574030730.db2.gz FWQPPJKOIKHSMW-UHFFFAOYSA-N 0 0 191.234 1.322 10 0 ADAERN c1ccc2c(c1)C[C@@H]2NCc1ncc[nH]1 308827843 574030770 /nfs/dbraw/zinc/03/07/70/574030770.db2.gz AQXGNNQDTAELFA-NSHDSACASA-N 0 0 199.257 1.797 10 0 ADAERN O=C1COc2cc(OCCF)ccc21 87775562 574030774 /nfs/dbraw/zinc/03/07/74/574030774.db2.gz CBEWVKPCPPKIHU-UHFFFAOYSA-N 0 0 196.177 1.610 10 0 ADAERN CCOc1ccc([C@@H](O)[NH2+]C)cc1C 259286415 574030780 /nfs/dbraw/zinc/03/07/80/574030780.db2.gz INGASSNSYRDQHU-LLVKDONJSA-N 0 0 195.262 1.604 10 0 ADAERN CC(C)C(=O)CCCF 87776200 574030822 /nfs/dbraw/zinc/03/08/22/574030822.db2.gz IVVDJTBCTHVFDG-UHFFFAOYSA-N 0 0 132.178 1.961 10 0 ADAERN N#CNc1ccc(-c2cccnc2)nn1 259286012 574030823 /nfs/dbraw/zinc/03/08/23/574030823.db2.gz NMALTUDWWMBVFF-UHFFFAOYSA-N 0 0 197.201 1.432 10 0 ADAERN CC(=O)[C@H](C)CCF 87776202 574030925 /nfs/dbraw/zinc/03/09/25/574030925.db2.gz VVOAEYVWURFNMO-RXMQYKEDSA-N 0 0 118.151 1.571 10 0 ADAERN Cc1ccc2c(c1)[C@H](CO)C2 258468889 574030961 /nfs/dbraw/zinc/03/09/61/574030961.db2.gz HVZZGGQKOPOIRK-VIFPVBQESA-N 0 0 148.205 1.627 10 0 ADAERN CCC(=O)[C@H](C)CCF 87776246 574030965 /nfs/dbraw/zinc/03/09/65/574030965.db2.gz ZADUPMIDUBSXIO-ZCFIWIBFSA-N 0 0 132.178 1.961 10 0 ADAERN CC1(C)Oc2c(O)cccc2NC1=O 259286691 574030977 /nfs/dbraw/zinc/03/09/77/574030977.db2.gz PZMDTDNWEKFCPE-UHFFFAOYSA-N 0 0 193.202 1.502 10 0 ADAERN C[C@H]1CSC[C@@H](C(F)(F)F)N1 85311029 574031007 /nfs/dbraw/zinc/03/10/07/574031007.db2.gz BSDWMFWBPBYYDY-WHFBIAKZSA-N 0 0 185.214 1.642 10 0 ADAERN CN(CCF)c1ccccc1N 87775904 574031089 /nfs/dbraw/zinc/03/10/89/574031089.db2.gz YVNGTYRMRAKMLE-UHFFFAOYSA-N 0 0 168.215 1.675 10 0 ADAERN CC(=O)[C@@H]1CCCCN1CCF 87775529 574031125 /nfs/dbraw/zinc/03/11/25/574031125.db2.gz DMRGBKPIPZULDT-VIFPVBQESA-N 0 0 173.231 1.399 10 0 ADAERN Cc1c(CO)cc(-c2cc[nH]c2)n1C 259284684 574031142 /nfs/dbraw/zinc/03/11/42/574031142.db2.gz RQSKPRSJXVSHIY-UHFFFAOYSA-N 0 0 190.246 1.821 10 0 ADAERN CC[C@@H](C[C@H](C)CO)C(C)=O 128284350 574031422 /nfs/dbraw/zinc/03/14/22/574031422.db2.gz HJGJIHYTXBHMSV-CBAPKCEASA-N 0 0 158.241 1.620 10 0 ADAERN C[C@H]1CS[C@H](c2ccccn2)N1 85309896 574031179 /nfs/dbraw/zinc/03/11/79/574031179.db2.gz YVOWDDGCHMKDJS-IONNQARKSA-N 0 0 180.276 1.805 10 0 ADAERN Nc1cccc2c1CCN2CCF 87775917 574031424 /nfs/dbraw/zinc/03/14/24/574031424.db2.gz SUWAEKOXDWOPHU-UHFFFAOYSA-N 0 0 180.226 1.601 10 0 ADAERN [NH3+]Cc1cccc2c1NCC(=O)S2 259286571 574031211 /nfs/dbraw/zinc/03/12/11/574031211.db2.gz PWLJKJRHODESLK-UHFFFAOYSA-N 0 0 194.259 1.190 10 0 ADAERN CN(CCF)c1cccc(N)c1 87775902 574031233 /nfs/dbraw/zinc/03/12/33/574031233.db2.gz LHWVBCIEXWKMQI-UHFFFAOYSA-N 0 0 168.215 1.675 10 0 ADAERN c1ccc2c(c1)C[C@H]2NCc1ncc[nH]1 308827841 574031238 /nfs/dbraw/zinc/03/12/38/574031238.db2.gz AQXGNNQDTAELFA-LLVKDONJSA-N 0 0 199.257 1.797 10 0 ADAERN C[C@@H]1CS[C@H](c2cccnc2)N1 85310013 574031429 /nfs/dbraw/zinc/03/14/29/574031429.db2.gz UXAHUAMMMNJXIE-VXNVDRBHSA-N 0 0 180.276 1.805 10 0 ADAERN C[C@@H]1CS[C@@H](c2ccccn2)N1 85309897 574031244 /nfs/dbraw/zinc/03/12/44/574031244.db2.gz YVOWDDGCHMKDJS-APPZFPTMSA-N 0 0 180.276 1.805 10 0 ADAERN CC(C)c1nc2n(n1)CCC[C@H]2O 258468858 574031435 /nfs/dbraw/zinc/03/14/35/574031435.db2.gz QEGGIMYLAAKORW-SSDOTTSWSA-N 0 0 181.239 1.229 10 0 ADAERN C[C@@H]1COc2cccc(CO)c2N1 259286710 574031444 /nfs/dbraw/zinc/03/14/44/574031444.db2.gz PZPQHJMGFNGFQS-SSDOTTSWSA-N 0 0 179.219 1.372 10 0 ADAERN Nc1ccc2c(c1)N(CCF)CC2 87775874 574031407 /nfs/dbraw/zinc/03/14/07/574031407.db2.gz MGKWAUKPUFRIFE-UHFFFAOYSA-N 0 0 180.226 1.601 10 0 ADAERN c1cncc(OCc2cn[nH]c2)c1 197915144 574035052 /nfs/dbraw/zinc/03/50/52/574035052.db2.gz JFRORYIJZTUYHB-UHFFFAOYSA-N 0 0 175.191 1.384 10 0 ADAERN Cc1n[nH]c(=S)n1[C@@H]1CCOC1 87788501 574035056 /nfs/dbraw/zinc/03/50/56/574035056.db2.gz VGGFDROFLWOATB-ZCFIWIBFSA-N 0 0 185.252 1.211 10 0 ADAERN CNc1cc(N)cc(OC)c1 87792943 574035083 /nfs/dbraw/zinc/03/50/83/574035083.db2.gz QDIPGIGVGQGIAO-UHFFFAOYSA-N 0 0 152.197 1.319 10 0 ADAERN C[C@H]([NH2+][C@H](C)C(=O)[O-])c1ccncc1 49353366 574035084 /nfs/dbraw/zinc/03/50/84/574035084.db2.gz ZLWUFKBRSWNVGX-JGVFFNPUSA-N 0 0 194.234 1.205 10 0 ADAERN OCCc1cc2ccccc2nn1 259288560 574035123 /nfs/dbraw/zinc/03/51/23/574035123.db2.gz BWYHGSCSXKYVDM-UHFFFAOYSA-N 0 0 174.203 1.165 10 0 ADAERN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)[O-])o1 49353615 574035128 /nfs/dbraw/zinc/03/51/28/574035128.db2.gz DAHYSDYTPGYUHL-YUMQZZPRSA-N 0 0 197.234 1.712 10 0 ADAERN CC1(C)CCC(=O)[C@@H]2C[C@@H](O)[C@@H]21 223790756 574035167 /nfs/dbraw/zinc/03/51/67/574035167.db2.gz NADKVOGXHXVFFZ-NBEYISGCSA-N 0 0 168.236 1.373 10 0 ADAERN Nc1cc2c([nH]c1=O)CSC2 258469097 574035180 /nfs/dbraw/zinc/03/51/80/574035180.db2.gz ICQLXVIWVCPDPB-UHFFFAOYSA-N 0 0 168.221 1.116 10 0 ADAERN Cc1nnc(Cl)n1[C@H]1CCOC1 87789483 574035202 /nfs/dbraw/zinc/03/52/02/574035202.db2.gz JQPPRSNVPJMDJQ-LURJTMIESA-N 0 0 187.630 1.201 10 0 ADAERN CNc1cc(-c2ccncc2)n(C)n1 259288798 574035203 /nfs/dbraw/zinc/03/52/03/574035203.db2.gz RUKZIPGOTCRQNH-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN Cc1nc(CN[C@H]2CCOC2)oc1C 87786451 574035214 /nfs/dbraw/zinc/03/52/14/574035214.db2.gz LTNVIVACIPCNCY-VIFPVBQESA-N 0 0 196.250 1.170 10 0 ADAERN C[C@@H](O)c1ccc(F)c(N(C)C)c1 259288204 574035258 /nfs/dbraw/zinc/03/52/58/574035258.db2.gz BVHOEPGXIMLFQW-SSDOTTSWSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@H]([NH2+]C1[C@@H](C)CCC[C@H]1C)C(=O)[O-] 49352905 574035003 /nfs/dbraw/zinc/03/50/03/574035003.db2.gz SBEJAZKPPQRMAO-GFMAATOTSA-N 0 0 199.294 1.874 10 0 ADAERN c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH+]1 87792188 574035261 /nfs/dbraw/zinc/03/52/61/574035261.db2.gz SOWQEBQNTYLAFS-MXWKQRLJSA-N 0 0 190.246 1.813 10 0 ADAERN CCSc1ccc([C@@H](N)NN)cc1 259289511 574035262 /nfs/dbraw/zinc/03/52/62/574035262.db2.gz HSGXQHLKFFXCFL-VIFPVBQESA-N 0 0 197.307 1.219 10 0 ADAERN S=c1[nH]ccn1[C@H]1CCOC1 87788472 574034815 /nfs/dbraw/zinc/03/48/15/574034815.db2.gz HUWLTFSULCGDEG-LURJTMIESA-N 0 0 170.237 1.507 10 0 ADAERN [NH3+]C1(c2cccc(C(=O)[O-])c2)CCC1 223780517 574034827 /nfs/dbraw/zinc/03/48/27/574034827.db2.gz LQTBMNURCWFIBK-UHFFFAOYSA-N 0 0 191.230 1.723 10 0 ADAERN CCCCN1C(=O)C[C@@H](CO)[C@@H]1C 259288309 574034829 /nfs/dbraw/zinc/03/48/29/574034829.db2.gz GVZGUOUHENBPAQ-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@]1(CNC#N)CCCS1 87793625 574034834 /nfs/dbraw/zinc/03/48/34/574034834.db2.gz HIQSELCFYGLDTB-SSDOTTSWSA-N 0 0 156.254 1.343 10 0 ADAERN C[C@@]12CCCC[C@H]1NC(=O)C2 197915506 574034842 /nfs/dbraw/zinc/03/48/42/574034842.db2.gz SAQHGBFQLXYHNX-APPZFPTMSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@]12CCCC[C@@H]1NC(=O)C2 197915502 574034860 /nfs/dbraw/zinc/03/48/60/574034860.db2.gz SAQHGBFQLXYHNX-IONNQARKSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@H]1CNc2cccc(O)c2N1C 259290079 574034870 /nfs/dbraw/zinc/03/48/70/574034870.db2.gz QATLMUXAHDCWPH-SSDOTTSWSA-N 0 0 178.235 1.642 10 0 ADAERN C[C@H]1CNc2cccc(O)c2N1C 259290093 574034884 /nfs/dbraw/zinc/03/48/84/574034884.db2.gz QATLMUXAHDCWPH-ZETCQYMHSA-N 0 0 178.235 1.642 10 0 ADAERN COc1cc(N)cc(N2CCCC2)c1 87792668 574034885 /nfs/dbraw/zinc/03/48/85/574034885.db2.gz NVMHGNNXKGKHCP-UHFFFAOYSA-N 0 0 192.262 1.878 10 0 ADAERN C[C@@H]1CCS[C@H](c2cnn(C)c2)N1 85318556 574034890 /nfs/dbraw/zinc/03/48/90/574034890.db2.gz CNQYULOQJDXKHB-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN Cc1nc(N)c2cnn(C(C)C)c2n1 87792620 574034900 /nfs/dbraw/zinc/03/49/00/574034900.db2.gz MQWIXQURJUHRCX-UHFFFAOYSA-N 0 0 191.238 1.298 10 0 ADAERN CCN(C)c1cc(N)cc(OC)c1 87793437 574034903 /nfs/dbraw/zinc/03/49/03/574034903.db2.gz FAOAPCRFVMRNGO-UHFFFAOYSA-N 0 0 180.251 1.734 10 0 ADAERN Cc1nocc1[Si](C)(C)C 197909208 574034927 /nfs/dbraw/zinc/03/49/27/574034927.db2.gz ZYSUTZPJBOJVIF-UHFFFAOYSA-N 0 0 155.273 1.528 10 0 ADAERN Clc1nccc(N[C@@H]2CCOC2)n1 87788682 574034929 /nfs/dbraw/zinc/03/49/29/574034929.db2.gz IEOSPLJIYLSHHN-ZCFIWIBFSA-N 0 0 199.641 1.331 10 0 ADAERN NN[C@@H](N)c1csc2ccccc12 259289419 574034930 /nfs/dbraw/zinc/03/49/30/574034930.db2.gz HREXEQIGXHDJGK-SECBINFHSA-N 0 0 193.275 1.322 10 0 ADAERN CC(C)(C)CCOCCCO 85319910 574035058 /nfs/dbraw/zinc/03/50/58/574035058.db2.gz ULQOPPYVQPOTOY-UHFFFAOYSA-N 0 0 160.257 1.822 10 0 ADAERN C[C@H]([NH2+][C@H](C)c1ccncc1)C(=O)[O-] 49353362 574034958 /nfs/dbraw/zinc/03/49/58/574034958.db2.gz ZLWUFKBRSWNVGX-SFYZADRCSA-N 0 0 194.234 1.205 10 0 ADAERN CO[C@@H](C)C[C@H](O)COC(C)C 128186065 574035041 /nfs/dbraw/zinc/03/50/41/574035041.db2.gz YQWOZRCPVYWBPF-IUCAKERBSA-N 0 0 176.256 1.197 10 0 ADAERN C[C@@H]1C(=O)CCN([C@@H]2CCOC2)[C@H]1C 87787573 574035045 /nfs/dbraw/zinc/03/50/45/574035045.db2.gz FYTRHYKOHOLXDL-LPEHRKFASA-N 0 0 197.278 1.075 10 0 ADAERN Oc1ccc(OC[C@@H](O)C2CC2)cc1 258469372 574035046 /nfs/dbraw/zinc/03/50/46/574035046.db2.gz YEUDASLRRCBELB-LLVKDONJSA-N 0 0 194.230 1.542 10 0 ADAERN CC[C@H]1CS[C@@H](C)[NH2+]1 85347161 574040136 /nfs/dbraw/zinc/04/01/36/574040136.db2.gz WTVANKKUWLHZKO-WDSKDSINSA-N 0 0 131.244 1.447 10 0 ADAERN Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)[O-])o1 49353619 574035279 /nfs/dbraw/zinc/03/52/79/574035279.db2.gz DAHYSDYTPGYUHL-HTQZYQBOSA-N 0 0 197.234 1.712 10 0 ADAERN COc1ccc([C@@H]2CCCCO2)nn1 259288130 574035273 /nfs/dbraw/zinc/03/52/73/574035273.db2.gz BUIONFCRDDGVGS-VIFPVBQESA-N 0 0 194.234 1.727 10 0 ADAERN CC(=O)NCC[C@H]1CCC2(CCC2)O1 716961428 574035499 /nfs/dbraw/zinc/03/54/99/574035499.db2.gz XJFNLROIHFHEGK-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN COc1cc(N)cc(N[C@H](C)CO)c1 87793600 574035976 /nfs/dbraw/zinc/03/59/76/574035976.db2.gz LCNLSZSKNSTCOD-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN CCCc1nc(C)c(NN)s1 259288464 574035276 /nfs/dbraw/zinc/03/52/76/574035276.db2.gz MMTWPPFZLNGMDP-UHFFFAOYSA-N 0 0 171.269 1.690 10 0 ADAERN Cc1cc(C=O)c(C)n1[C@@H]1CCOC1 87787516 574036069 /nfs/dbraw/zinc/03/60/69/574036069.db2.gz DKDRCTUCPGSQRL-LLVKDONJSA-N 0 0 193.246 1.879 10 0 ADAERN OCC1(c2cccc(F)c2)COC1 258469973 574035327 /nfs/dbraw/zinc/03/53/27/574035327.db2.gz AGIASRLRGRPVGP-UHFFFAOYSA-N 0 0 182.194 1.086 10 0 ADAERN O=Cc1cnoc1[C@@H]1CCCCO1 259290243 574035343 /nfs/dbraw/zinc/03/53/43/574035343.db2.gz QBKCHEBRNPCLNL-QMMMGPOBSA-N 0 0 181.191 1.729 10 0 ADAERN C[C@@H](O)[C@H](F)C(F)(F)F 258469011 574035350 /nfs/dbraw/zinc/03/53/50/574035350.db2.gz IABRJRMUMUWCDG-GBXIJSLDSA-N 0 0 146.083 1.268 10 0 ADAERN C[C@@H]1CNc2c(N)cccc2N(C)C1 259290299 574035355 /nfs/dbraw/zinc/03/53/55/574035355.db2.gz QBYWWHRFFKYKMV-MRVPVSSYSA-N 0 0 191.278 1.767 10 0 ADAERN C[C@@H](O)[C@@H](F)C(F)(F)F 258469015 574035360 /nfs/dbraw/zinc/03/53/60/574035360.db2.gz IABRJRMUMUWCDG-PWNYCUMCSA-N 0 0 146.083 1.268 10 0 ADAERN CCOC(=O)[C@@H](C)Nc1ccncc1 49374408 574035363 /nfs/dbraw/zinc/03/53/63/574035363.db2.gz JZVAWTLMRHDCCH-MRVPVSSYSA-N 0 0 194.234 1.445 10 0 ADAERN Cc1n[nH]c(=S)n1[C@H]1CCOC1 87788503 574035368 /nfs/dbraw/zinc/03/53/68/574035368.db2.gz VGGFDROFLWOATB-LURJTMIESA-N 0 0 185.252 1.211 10 0 ADAERN COc1cc(N)cc(NC[C@H](C)O)c1 87793585 574035387 /nfs/dbraw/zinc/03/53/87/574035387.db2.gz UAKDVZOBKMISFE-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN C[C@H]1CCS[C@H](c2cnn(C)c2)N1 85318557 574035404 /nfs/dbraw/zinc/03/54/04/574035404.db2.gz CNQYULOQJDXKHB-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN CCCOC[C@@H](O)C[C@H](C)OC 128185104 574035422 /nfs/dbraw/zinc/03/54/22/574035422.db2.gz CNWAFNFPKVRBHA-IUCAKERBSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@@H]1CCS[C@@H](c2cncn2C)N1 85318642 574035454 /nfs/dbraw/zinc/03/54/54/574035454.db2.gz OXALIZMBBUIHBT-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN Cc1cccnc1N[C@@H]1CCOC1 87787820 574035465 /nfs/dbraw/zinc/03/54/65/574035465.db2.gz XBMRVKQJRYTNGB-SECBINFHSA-N 0 0 178.235 1.591 10 0 ADAERN Cc1cccc(S(=O)(=O)C2CC2)c1 259289990 574036215 /nfs/dbraw/zinc/03/62/15/574036215.db2.gz SOHBBPYASWNCAI-UHFFFAOYSA-N 0 0 196.271 1.931 10 0 ADAERN COc1cc(N)cc(NC2CC2)c1 87792923 574035590 /nfs/dbraw/zinc/03/55/90/574035590.db2.gz SLBGMLJXNGILGB-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN CC(C)(O)C1(C2CCC2)COC1 259290218 574035608 /nfs/dbraw/zinc/03/56/08/574035608.db2.gz PYTMBJKHCPNUIR-UHFFFAOYSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@@H]1CCS[C@@H](c2cnn(C)c2)N1 85318558 574035615 /nfs/dbraw/zinc/03/56/15/574035615.db2.gz CNQYULOQJDXKHB-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN Cc1ccc([C@@H]2CN(C)C(=O)N2C)o1 259288890 574035623 /nfs/dbraw/zinc/03/56/23/574035623.db2.gz FTKIKLYBPKHLTQ-QMMMGPOBSA-N 0 0 194.234 1.626 10 0 ADAERN Clc1nccc(N[C@H]2CCOC2)n1 87788685 574035625 /nfs/dbraw/zinc/03/56/25/574035625.db2.gz IEOSPLJIYLSHHN-LURJTMIESA-N 0 0 199.641 1.331 10 0 ADAERN C[C@H](O)c1ccc(F)c(N(C)C)c1 259288209 574035626 /nfs/dbraw/zinc/03/56/26/574035626.db2.gz BVHOEPGXIMLFQW-ZETCQYMHSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@H]([NH2+][C@@H](C)c1ccncc1)C(=O)[O-] 49353358 574035661 /nfs/dbraw/zinc/03/56/61/574035661.db2.gz ZLWUFKBRSWNVGX-YUMQZZPRSA-N 0 0 194.234 1.205 10 0 ADAERN CCSc1ccc([C@H](N)NN)cc1 259289508 574035678 /nfs/dbraw/zinc/03/56/78/574035678.db2.gz HSGXQHLKFFXCFL-SECBINFHSA-N 0 0 197.307 1.219 10 0 ADAERN C[C@@]1(C[NH2+]CCF)CCCS1 87793361 574035703 /nfs/dbraw/zinc/03/57/03/574035703.db2.gz NSNBSGNPFBNKIF-QMMMGPOBSA-N 0 0 177.288 1.831 10 0 ADAERN C[C@H]([NH2+][C@H](C)c1ccco1)C(=O)[O-] 49353548 574035711 /nfs/dbraw/zinc/03/57/11/574035711.db2.gz IHYSTIJUYWAUEG-RQJHMYQMSA-N 0 0 183.207 1.403 10 0 ADAERN Cc1nc2c[nH]nc2s1 197916283 574036311 /nfs/dbraw/zinc/03/63/11/574036311.db2.gz AFLOQPQAHLSTSZ-UHFFFAOYSA-N 0 0 139.183 1.328 10 0 ADAERN C[C@H]1CCS[C@H](c2cncn2C)N1 85318641 574035721 /nfs/dbraw/zinc/03/57/21/574035721.db2.gz OXALIZMBBUIHBT-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN CCOC(=O)[C@@H](C)N[C@H](C)C1(C)CC1 49369615 574035739 /nfs/dbraw/zinc/03/57/39/574035739.db2.gz XUHORQUJSXANHM-RKDXNWHRSA-N 0 0 199.294 1.716 10 0 ADAERN Clc1cc(N[C@@H]2CCOC2)ncn1 87788729 574035755 /nfs/dbraw/zinc/03/57/55/574035755.db2.gz DUQOJPNXFHKDGK-ZCFIWIBFSA-N 0 0 199.641 1.331 10 0 ADAERN CC1(C)CCC(=O)[C@H]2C[C@@H](O)[C@H]21 223790805 574035777 /nfs/dbraw/zinc/03/57/77/574035777.db2.gz NADKVOGXHXVFFZ-VDAHYXPESA-N 0 0 168.236 1.373 10 0 ADAERN Cc1cccnc1N[C@H]1CCOC1 87787823 574035782 /nfs/dbraw/zinc/03/57/82/574035782.db2.gz XBMRVKQJRYTNGB-VIFPVBQESA-N 0 0 178.235 1.591 10 0 ADAERN Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)[O-])o1 49353623 574035785 /nfs/dbraw/zinc/03/57/85/574035785.db2.gz DAHYSDYTPGYUHL-JGVFFNPUSA-N 0 0 197.234 1.712 10 0 ADAERN c1nsc(N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 87792184 574035786 /nfs/dbraw/zinc/03/57/86/574035786.db2.gz LYRVQCDDCKFVBG-QYNIQEEDSA-N 0 0 197.263 1.270 10 0 ADAERN CC(C)Oc1cc(N)cc(N)c1 87793400 574035791 /nfs/dbraw/zinc/03/57/91/574035791.db2.gz UCXBOFKCRUSHJP-UHFFFAOYSA-N 0 0 166.224 1.638 10 0 ADAERN COc1cc(N)cc(N(C)C2CC2)c1 87793451 574035830 /nfs/dbraw/zinc/03/58/30/574035830.db2.gz PVANMRJQMZQUAI-UHFFFAOYSA-N 0 0 192.262 1.876 10 0 ADAERN CNc1nc(C)nc(Cl)c1C=O 87792511 574035850 /nfs/dbraw/zinc/03/58/50/574035850.db2.gz RSPYPKQANYTMHL-UHFFFAOYSA-N 0 0 185.614 1.293 10 0 ADAERN OCC1(Cc2ccccn2)CC1 259288317 574035852 /nfs/dbraw/zinc/03/58/52/574035852.db2.gz ZOBBSBGOTPEAIR-UHFFFAOYSA-N 0 0 163.220 1.397 10 0 ADAERN CCCNc1nc(C)nc2oncc12 87792608 574035892 /nfs/dbraw/zinc/03/58/92/574035892.db2.gz RIXOMKKVGWNFNZ-UHFFFAOYSA-N 0 0 192.222 1.748 10 0 ADAERN COc1cc(N)cc(NC[C@@H](C)O)c1 87793586 574035973 /nfs/dbraw/zinc/03/59/73/574035973.db2.gz UAKDVZOBKMISFE-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN C[C@H]([NH2+][C@H](C)C(=O)[O-])c1ccco1 49353552 574035981 /nfs/dbraw/zinc/03/59/81/574035981.db2.gz IHYSTIJUYWAUEG-NKWVEPMBSA-N 0 0 183.207 1.403 10 0 ADAERN CCCOc1cc(N)cc(N)c1 87793401 574036009 /nfs/dbraw/zinc/03/60/09/574036009.db2.gz UALVIBUYZRZYGL-UHFFFAOYSA-N 0 0 166.224 1.640 10 0 ADAERN CO[C@H](C)C[C@@H](O)COC(C)C 128185362 574036077 /nfs/dbraw/zinc/03/60/77/574036077.db2.gz YQWOZRCPVYWBPF-RKDXNWHRSA-N 0 0 176.256 1.197 10 0 ADAERN C[C@@H]1CCS[C@@H](c2ccncn2)N1 85318446 574036108 /nfs/dbraw/zinc/03/61/08/574036108.db2.gz XYHORERXAIXZJU-APPZFPTMSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@@H]1CCS[C@H](c2ccncn2)N1 85318444 574036324 /nfs/dbraw/zinc/03/63/24/574036324.db2.gz XYHORERXAIXZJU-VXNVDRBHSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@@H]1C(=O)CCN([C@@H]2CCOC2)[C@@H]1C 87787577 574036136 /nfs/dbraw/zinc/03/61/36/574036136.db2.gz FYTRHYKOHOLXDL-IVZWLZJFSA-N 0 0 197.278 1.075 10 0 ADAERN C[C@H](O)[C@H](F)C(F)(F)F 258469013 574036160 /nfs/dbraw/zinc/03/61/60/574036160.db2.gz IABRJRMUMUWCDG-HRFVKAFMSA-N 0 0 146.083 1.268 10 0 ADAERN CCNc1nc(C)nc(Cl)c1C=O 87792513 574036194 /nfs/dbraw/zinc/03/61/94/574036194.db2.gz BQQVUJXBGMHNAV-UHFFFAOYSA-N 0 0 199.641 1.683 10 0 ADAERN CCCCCN[C@H](C)C(=O)OCC 49370512 574036227 /nfs/dbraw/zinc/03/62/27/574036227.db2.gz VQIIWUPMWYZAMR-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN CCn1ncc2c(NC)nc(C)nc21 87792623 574036231 /nfs/dbraw/zinc/03/62/31/574036231.db2.gz XIPVOFAUPCYZPY-UHFFFAOYSA-N 0 0 191.238 1.196 10 0 ADAERN Cc1ccc([C@H]2CN(C)C(=O)N2C)o1 259288880 574036232 /nfs/dbraw/zinc/03/62/32/574036232.db2.gz FTKIKLYBPKHLTQ-MRVPVSSYSA-N 0 0 194.234 1.626 10 0 ADAERN O=Cc1cnoc1[C@H]1CCCCO1 259290234 574036236 /nfs/dbraw/zinc/03/62/36/574036236.db2.gz QBKCHEBRNPCLNL-MRVPVSSYSA-N 0 0 181.191 1.729 10 0 ADAERN Cc1nc(CN[C@@H]2CCOC2)oc1C 87786449 574036238 /nfs/dbraw/zinc/03/62/38/574036238.db2.gz LTNVIVACIPCNCY-SECBINFHSA-N 0 0 196.250 1.170 10 0 ADAERN CNCC(F)(F)C1CCC1 258469069 574036255 /nfs/dbraw/zinc/03/62/55/574036255.db2.gz IBTVDYFWARKAEP-UHFFFAOYSA-N 0 0 149.184 1.641 10 0 ADAERN CCNc1nc(C)nc2oncc12 87792607 574036256 /nfs/dbraw/zinc/03/62/56/574036256.db2.gz WXZYOHOEZPQABL-UHFFFAOYSA-N 0 0 178.195 1.358 10 0 ADAERN CCOC(=O)[C@H](C)N[C@H](C)C1(C)CC1 49369619 574036287 /nfs/dbraw/zinc/03/62/87/574036287.db2.gz XUHORQUJSXANHM-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN CCNc1cc(N)cc(OC)c1 87792953 574036291 /nfs/dbraw/zinc/03/62/91/574036291.db2.gz FKKNRIISQVSOLP-UHFFFAOYSA-N 0 0 166.224 1.709 10 0 ADAERN CCOC(=O)[C@@H](C)N[C@@H](C)C1(C)CC1 49369607 574036293 /nfs/dbraw/zinc/03/62/93/574036293.db2.gz XUHORQUJSXANHM-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN NNSc1cccs1 259287567 574036326 /nfs/dbraw/zinc/03/63/26/574036326.db2.gz SLUWOHCORNOPKE-UHFFFAOYSA-N 0 0 146.240 1.219 10 0 ADAERN CCc1c(N)ncnc1N1CCCC1 87805708 574037236 /nfs/dbraw/zinc/03/72/36/574037236.db2.gz AJOWXCXCUNTDBJ-UHFFFAOYSA-N 0 0 192.266 1.221 10 0 ADAERN CNc1cc(NC(C)(C)C)ncn1 87801722 574037488 /nfs/dbraw/zinc/03/74/88/574037488.db2.gz JVJLFPDJXXSSOG-UHFFFAOYSA-N 0 0 180.255 1.729 10 0 ADAERN C[C@@H]1CN[C@@H](c2cncn2C)SC1 85337280 574037429 /nfs/dbraw/zinc/03/74/29/574037429.db2.gz RPDLMJJCCPGEOS-VXNVDRBHSA-N 0 0 197.307 1.391 10 0 ADAERN CC(C)[C@H](C)Nc1cc(N)ncn1 87801215 574037963 /nfs/dbraw/zinc/03/79/63/574037963.db2.gz DYUJWIIJGMJMNG-ZETCQYMHSA-N 0 0 180.255 1.515 10 0 ADAERN [NH3+][C@@H](c1cc[nH]c1)C1(C(=O)[O-])CCC1 259292630 574037434 /nfs/dbraw/zinc/03/74/34/574037434.db2.gz HVFMTKJHAIIVLD-QMMMGPOBSA-N 0 0 194.234 1.269 10 0 ADAERN CCN[C@H](C(F)F)C1(OC)CCC1 686240655 574037435 /nfs/dbraw/zinc/03/74/35/574037435.db2.gz CYUCUNVKRSCORO-SSDOTTSWSA-N 0 0 193.237 1.799 10 0 ADAERN Nc1ncc(F)c(NC2CCCC2)n1 87807194 574037943 /nfs/dbraw/zinc/03/79/43/574037943.db2.gz FRBLKPINQGPFPU-UHFFFAOYSA-N 0 0 196.229 1.552 10 0 ADAERN Cc1cnc(N)nc1NC(C)C 87806758 574037951 /nfs/dbraw/zinc/03/79/51/574037951.db2.gz MYNZQRHJWYQIME-UHFFFAOYSA-N 0 0 166.228 1.188 10 0 ADAERN COc1cc(N)cc(-n2ccnc2)c1 87800423 574038212 /nfs/dbraw/zinc/03/82/12/574038212.db2.gz WIIBNKYCTZMSQE-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN Cc1cnc([C@H](N)C(F)F)c(C)c1 686240689 574037244 /nfs/dbraw/zinc/03/72/44/574037244.db2.gz JKCIBWDNXACMIX-ZETCQYMHSA-N 0 0 186.205 1.963 10 0 ADAERN COc1cc2[nH]nc(C)c2cc1C=O 259291157 574037250 /nfs/dbraw/zinc/03/72/50/574037250.db2.gz CXDVBMBYNJVDAX-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN CNc1ncnc(NCC(C)C)c1C 87807173 574037252 /nfs/dbraw/zinc/03/72/52/574037252.db2.gz LZHRJPRJMTZQCA-UHFFFAOYSA-N 0 0 194.282 1.895 10 0 ADAERN C/C=C/COc1cc(Cl)nc(N)n1 87795686 574038228 /nfs/dbraw/zinc/03/82/28/574038228.db2.gz ORCPMTUDMLYKHZ-NSCUHMNNSA-N 0 0 199.641 1.667 10 0 ADAERN COC(=O)CCc1nc(C)c(C)[nH]1 258470470 574037260 /nfs/dbraw/zinc/03/72/60/574037260.db2.gz ALHSYTTZOOGDCY-UHFFFAOYSA-N 0 0 182.223 1.132 10 0 ADAERN CNc1ncc(C)c(N2CCCC2)n1 87805735 574037261 /nfs/dbraw/zinc/03/72/61/574037261.db2.gz QIONDUKLJSFBSE-UHFFFAOYSA-N 0 0 192.266 1.427 10 0 ADAERN CCCN[C@H](c1cn[nH]c1)C(F)F 686240661 574037266 /nfs/dbraw/zinc/03/72/66/574037266.db2.gz GBTNXDRMFFZUSN-SSDOTTSWSA-N 0 0 189.209 1.716 10 0 ADAERN CC[C@H](C)Nc1ncnc(N)c1C 87806958 574037273 /nfs/dbraw/zinc/03/72/73/574037273.db2.gz NBUQMXHRLOBSAU-LURJTMIESA-N 0 0 180.255 1.578 10 0 ADAERN CCCc1c(N)ncnc1N(C)C 87806423 574037278 /nfs/dbraw/zinc/03/72/78/574037278.db2.gz GPFDDPALPJUHRB-UHFFFAOYSA-N 0 0 180.255 1.077 10 0 ADAERN Cc1cc(C)c(CCON)c(O)c1C 259291897 574037286 /nfs/dbraw/zinc/03/72/86/574037286.db2.gz BZZVTTUNUSLUJV-UHFFFAOYSA-N 0 0 195.262 1.750 10 0 ADAERN Cc1cnn(-c2cc(N)cc(F)c2)c1 87799951 574037287 /nfs/dbraw/zinc/03/72/87/574037287.db2.gz WYMKWHMGOFMSBO-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CNc1nccc(N[C@@H](C)C(C)C)n1 87801408 574037290 /nfs/dbraw/zinc/03/72/90/574037290.db2.gz MNHKKNCLEPMZSM-QMMMGPOBSA-N 0 0 194.282 1.975 10 0 ADAERN CC(C)[C@H](C)Nc1cc(N)nc(N)n1 87801335 574037296 /nfs/dbraw/zinc/03/72/96/574037296.db2.gz XYEATVPNZQDGED-LURJTMIESA-N 0 0 195.270 1.097 10 0 ADAERN CCCNc1ncc(C)c(N(C)C)n1 87806484 574037308 /nfs/dbraw/zinc/03/73/08/574037308.db2.gz LGERQHMSDRWEMC-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN CC(=O)[C@@H](O)c1cc(F)ccc1F 259292236 574037313 /nfs/dbraw/zinc/03/73/13/574037313.db2.gz WGPKLGDLKNDFNX-SECBINFHSA-N 0 0 186.157 1.587 10 0 ADAERN CCNc1ncnc(N(C)C)c1CC 87806413 574037323 /nfs/dbraw/zinc/03/73/23/574037323.db2.gz QXTGHYBVJLKXPJ-UHFFFAOYSA-N 0 0 194.282 1.537 10 0 ADAERN CC[C@@H](C)Nc1nc(N)ncc1F 87806893 574037328 /nfs/dbraw/zinc/03/73/28/574037328.db2.gz ILYJBBBJMOAZQQ-RXMQYKEDSA-N 0 0 184.218 1.408 10 0 ADAERN CC(=O)[C@@]1(F)CCCOC1 258470545 574037346 /nfs/dbraw/zinc/03/73/46/574037346.db2.gz IFEYUBMSGGHNKG-SSDOTTSWSA-N 0 0 146.161 1.094 10 0 ADAERN Cc1cnc(N)nc1N[C@H](C)C(C)C 87801363 574037355 /nfs/dbraw/zinc/03/73/55/574037355.db2.gz NNUDIWXCRRSFMG-MRVPVSSYSA-N 0 0 194.282 1.824 10 0 ADAERN CCC(CC)Nc1nc(N)ncc1C 87807277 574037361 /nfs/dbraw/zinc/03/73/61/574037361.db2.gz BMIZEMPUKJZBIF-UHFFFAOYSA-N 0 0 194.282 1.968 10 0 ADAERN Nc1cc(F)cc(-n2ccnc2)c1 87799938 574037366 /nfs/dbraw/zinc/03/73/66/574037366.db2.gz SRTHDAYROYPSPI-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN CNc1cncc(N2CCCCC2)n1 87806215 574037391 /nfs/dbraw/zinc/03/73/91/574037391.db2.gz GYPHCIFHNPKPPF-UHFFFAOYSA-N 0 0 192.266 1.509 10 0 ADAERN CCNc1cc(NCC(C)C)ncn1 87807154 574037393 /nfs/dbraw/zinc/03/73/93/574037393.db2.gz RHKVPIBWZSEKRH-UHFFFAOYSA-N 0 0 194.282 1.976 10 0 ADAERN CNc1ncnc(NC2CC2)c1C 87807095 574038236 /nfs/dbraw/zinc/03/82/36/574038236.db2.gz XSKAFECJAILUOV-UHFFFAOYSA-N 0 0 178.239 1.401 10 0 ADAERN CCC(C)(C)Nc1cc(N)ncn1 87801579 574037403 /nfs/dbraw/zinc/03/74/03/574037403.db2.gz JKLZGBVCFRBIRA-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN CC(C)N(C)c1nc(N)ncc1F 87806111 574037411 /nfs/dbraw/zinc/03/74/11/574037411.db2.gz HBZPOZVQQNDLSF-UHFFFAOYSA-N 0 0 184.218 1.043 10 0 ADAERN CC[C@@H](C)Nc1cncc(NC)n1 87806973 574037440 /nfs/dbraw/zinc/03/74/40/574037440.db2.gz ZLIPLMIVCIUUJA-SSDOTTSWSA-N 0 0 180.255 1.729 10 0 ADAERN CCN(CC)c1nc(N)ncc1C 87805838 574037456 /nfs/dbraw/zinc/03/74/56/574037456.db2.gz CYJXDJPRMWKWEE-UHFFFAOYSA-N 0 0 180.255 1.213 10 0 ADAERN CO[C@H](C)C[C@@H](O)c1cnccc1C 128217337 574037457 /nfs/dbraw/zinc/03/74/57/574037457.db2.gz QZKDOUMYNWOJHU-MWLCHTKSSA-N 0 0 195.262 1.848 10 0 ADAERN Cc1c(N)ncnc1N[C@@H](C)C(C)C 87801308 574037462 /nfs/dbraw/zinc/03/74/62/574037462.db2.gz KFYSDPWDMMAONQ-QMMMGPOBSA-N 0 0 194.282 1.824 10 0 ADAERN OCc1nc2c(o1)CCCC2 259291702 574037468 /nfs/dbraw/zinc/03/74/68/574037468.db2.gz MVHYFVBTCGXATJ-UHFFFAOYSA-N 0 0 153.181 1.046 10 0 ADAERN CCCNc1cc(NCC)nc(N)n1 87806645 574037474 /nfs/dbraw/zinc/03/74/74/574037474.db2.gz OLOXCHZUGYNEOO-UHFFFAOYSA-N 0 0 195.270 1.313 10 0 ADAERN COc1ncc(Cl)c(=S)[nH]1 87798707 574037481 /nfs/dbraw/zinc/03/74/81/574037481.db2.gz DJEJYYNSWFUPGO-UHFFFAOYSA-N 0 0 176.628 1.427 10 0 ADAERN CO[C@H](C)C[C@H](O)Cc1ccoc1 128225003 574037492 /nfs/dbraw/zinc/03/74/92/574037492.db2.gz KUBNREDULJCHPH-SCZZXKLOSA-N 0 0 184.235 1.608 10 0 ADAERN Nc1cc(F)cc(O[C@H]2CCOC2)c1 87800291 574037500 /nfs/dbraw/zinc/03/75/00/574037500.db2.gz RBIMQQHESFYGJI-VIFPVBQESA-N 0 0 197.209 1.576 10 0 ADAERN CCNc1ncc(C)c(N(C)C)n1 87806483 574037504 /nfs/dbraw/zinc/03/75/04/574037504.db2.gz BMRRQPXHZUFMBM-UHFFFAOYSA-N 0 0 180.255 1.283 10 0 ADAERN O=Cc1ccc(CC2(O)CC2)cc1 259291573 574037505 /nfs/dbraw/zinc/03/75/05/574037505.db2.gz DBQFCUOGLXUHJL-UHFFFAOYSA-N 0 0 176.215 1.567 10 0 ADAERN CCCNc1cncc(NC)n1 87806666 574037509 /nfs/dbraw/zinc/03/75/09/574037509.db2.gz IPXJSDCDGNLRNM-UHFFFAOYSA-N 0 0 166.228 1.340 10 0 ADAERN CNC(NC)c1ccc(C)cc1 259291557 574037512 /nfs/dbraw/zinc/03/75/12/574037512.db2.gz ITBIOTMTUIAKBJ-UHFFFAOYSA-N 0 0 164.252 1.432 10 0 ADAERN CNc1ncc(Cl)c(NC2CC2)n1 87807080 574037513 /nfs/dbraw/zinc/03/75/13/574037513.db2.gz ZHMILRZDMPPKKS-UHFFFAOYSA-N 0 0 198.657 1.746 10 0 ADAERN CO[C@H](C)C[C@H](O)c1cccnc1 128230362 574037516 /nfs/dbraw/zinc/03/75/16/574037516.db2.gz TTXRWUGYWISQOP-SCZZXKLOSA-N 0 0 181.235 1.540 10 0 ADAERN Cc1ccn(-c2cc(N)cc(F)c2)n1 87799980 574037527 /nfs/dbraw/zinc/03/75/27/574037527.db2.gz YNOOUNKYLGQTDM-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CCCNc1ncnc(NC)c1CC 87806651 574037535 /nfs/dbraw/zinc/03/75/35/574037535.db2.gz BQGSVUWBGRRHSG-UHFFFAOYSA-N 0 0 194.282 1.903 10 0 ADAERN C[C@H]1CN[C@@H](c2cncn2C)SC1 85337283 574037536 /nfs/dbraw/zinc/03/75/36/574037536.db2.gz RPDLMJJCCPGEOS-IONNQARKSA-N 0 0 197.307 1.391 10 0 ADAERN C[C@@H]1CCN[C@H](c2ccncn2)S1 85341876 574037541 /nfs/dbraw/zinc/03/75/41/574037541.db2.gz YHZDPPCRYOGUQT-APPZFPTMSA-N 0 0 195.291 1.590 10 0 ADAERN CCN1C[C@@H](c2cc[nH]c2)NC1=O 259291767 574037542 /nfs/dbraw/zinc/03/75/42/574037542.db2.gz FVVIXPROXURLHE-QMMMGPOBSA-N 0 0 179.223 1.101 10 0 ADAERN CNc1cncc(NC2CCCC2)n1 87807221 574037543 /nfs/dbraw/zinc/03/75/43/574037543.db2.gz YZYGTPRSPPKBOO-UHFFFAOYSA-N 0 0 192.266 1.873 10 0 ADAERN CC(C)CNc1nc(N)ncc1F 87807120 574037545 /nfs/dbraw/zinc/03/75/45/574037545.db2.gz OQEWJLDVNGZBQP-UHFFFAOYSA-N 0 0 184.218 1.266 10 0 ADAERN CNc1cncc(NCC(C)C)n1 87807161 574037548 /nfs/dbraw/zinc/03/75/48/574037548.db2.gz YOVCJGDWROVVPS-UHFFFAOYSA-N 0 0 180.255 1.586 10 0 ADAERN CCNc1ncc(F)c(NC(C)C)n1 87806763 574037551 /nfs/dbraw/zinc/03/75/51/574037551.db2.gz VPERJGFEMUIJKT-UHFFFAOYSA-N 0 0 198.245 1.868 10 0 ADAERN CC(C)C[C@@H](C)C(=O)NC1CC(=O)C1 716974469 574037564 /nfs/dbraw/zinc/03/75/64/574037564.db2.gz AARZFIFCIPXCAW-MRVPVSSYSA-N 0 0 197.278 1.516 10 0 ADAERN C[C@H]1CCN[C@H](c2cnn(C)c2)S1 85342232 574037566 /nfs/dbraw/zinc/03/75/66/574037566.db2.gz XDIOIKPSPSVMSS-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN CCC(C)(C)Nc1ncnc(N)c1C 87801623 574037589 /nfs/dbraw/zinc/03/75/89/574037589.db2.gz NGLAEUWSONUZIE-UHFFFAOYSA-N 0 0 194.282 1.968 10 0 ADAERN C[C@H]1CN[C@@H](C(F)(F)F)CSC1 85339110 574037590 /nfs/dbraw/zinc/03/75/90/574037590.db2.gz QUGNMRRUERCJPE-NTSWFWBYSA-N 0 0 199.241 1.890 10 0 ADAERN C[C@H]1CCN[C@@H](c2cncn2C)S1 85342254 574037595 /nfs/dbraw/zinc/03/75/95/574037595.db2.gz CZUPISJFQLQKTN-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN CC(C)c1c(N)ncnc1NC1CC1 87807041 574037603 /nfs/dbraw/zinc/03/76/03/574037603.db2.gz DDVIYXCPRYGLQT-UHFFFAOYSA-N 0 0 192.266 1.757 10 0 ADAERN CCC(CC)Nc1cc(N)nc(N)n1 87807270 574037611 /nfs/dbraw/zinc/03/76/11/574037611.db2.gz DUIKDFBSVJPIBE-UHFFFAOYSA-N 0 0 195.270 1.242 10 0 ADAERN CCc1c(NC)ncnc1NC(C)C 87806735 574037620 /nfs/dbraw/zinc/03/76/20/574037620.db2.gz IBTIJOGVILAMRW-UHFFFAOYSA-N 0 0 194.282 1.901 10 0 ADAERN COCCC(=O)[C@@H]1C[C@@H]1C 686240720 574037638 /nfs/dbraw/zinc/03/76/38/574037638.db2.gz ORYMJZVTQOOYDC-NKWVEPMBSA-N 0 0 142.198 1.248 10 0 ADAERN CC[C@H](C)Nc1cc(NC)nc(N)n1 87807022 574037668 /nfs/dbraw/zinc/03/76/68/574037668.db2.gz BUVICSBGTLCSIB-LURJTMIESA-N 0 0 195.270 1.311 10 0 ADAERN CO[C@@H](C)C[C@@H](O)Cc1ccoc1 128225221 574037673 /nfs/dbraw/zinc/03/76/73/574037673.db2.gz KUBNREDULJCHPH-WCBMZHEXSA-N 0 0 184.235 1.608 10 0 ADAERN CC(=O)[C@]1(F)CCCOC1 258470546 574037687 /nfs/dbraw/zinc/03/76/87/574037687.db2.gz IFEYUBMSGGHNKG-ZETCQYMHSA-N 0 0 146.161 1.094 10 0 ADAERN Fc1ccccc1[C@H]1CCON1 258470542 574037690 /nfs/dbraw/zinc/03/76/90/574037690.db2.gz IFBFBXMDWPBXJP-SECBINFHSA-N 0 0 167.183 1.792 10 0 ADAERN OCCc1cccc(CC2(O)CC2)c1 259292094 574037694 /nfs/dbraw/zinc/03/76/94/574037694.db2.gz CBSPTIHDJXSEKZ-UHFFFAOYSA-N 0 0 192.258 1.289 10 0 ADAERN CNc1cncc(NC(C)(C)C)n1 87801762 574038182 /nfs/dbraw/zinc/03/81/82/574038182.db2.gz FJXOQUDQEQOLPI-UHFFFAOYSA-N 0 0 180.255 1.729 10 0 ADAERN CO[C@H](C)C[C@@H](O)Cc1ccoc1 128225389 574037705 /nfs/dbraw/zinc/03/77/05/574037705.db2.gz KUBNREDULJCHPH-PSASIEDQSA-N 0 0 184.235 1.608 10 0 ADAERN COCCC(=O)[C@H]1C[C@H]1C 686240724 574037706 /nfs/dbraw/zinc/03/77/06/574037706.db2.gz ORYMJZVTQOOYDC-RQJHMYQMSA-N 0 0 142.198 1.248 10 0 ADAERN COc1c(C=O)ccc2[nH]nc(C)c12 259291361 574037718 /nfs/dbraw/zinc/03/77/18/574037718.db2.gz CYRDCUNOEKRIOF-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN CCNc1ncc(C)c(NC2CC2)n1 87807115 574037728 /nfs/dbraw/zinc/03/77/28/574037728.db2.gz PPQQOVSUSSKBKV-UHFFFAOYSA-N 0 0 192.266 1.791 10 0 ADAERN CO[C@@H](C)C[C@H](O)c1cccnc1 128230083 574037730 /nfs/dbraw/zinc/03/77/30/574037730.db2.gz TTXRWUGYWISQOP-WPRPVWTQSA-N 0 0 181.235 1.540 10 0 ADAERN Cc1onc2c(O)cccc12 258470536 574037734 /nfs/dbraw/zinc/03/77/34/574037734.db2.gz IEXRBJQYERXFBO-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN C[C@H]1CN[C@H](c2cncn2C)SC1 85337278 574037749 /nfs/dbraw/zinc/03/77/49/574037749.db2.gz RPDLMJJCCPGEOS-CBAPKCEASA-N 0 0 197.307 1.391 10 0 ADAERN Cn1nc(C[C@H]2CCCS2)cc1N 259290610 574037753 /nfs/dbraw/zinc/03/77/53/574037753.db2.gz QDBBRHGTTUPWHR-MRVPVSSYSA-N 0 0 197.307 1.440 10 0 ADAERN CC[C@H](C)Nc1nc(N)ncc1C 87806988 574037759 /nfs/dbraw/zinc/03/77/59/574037759.db2.gz FJGZYJWJTOMZLK-ZETCQYMHSA-N 0 0 180.255 1.578 10 0 ADAERN CCCc1c(N)ncnc1NC1CC1 87807054 574037777 /nfs/dbraw/zinc/03/77/77/574037777.db2.gz WCPFAVYLWVWOJS-UHFFFAOYSA-N 0 0 192.266 1.586 10 0 ADAERN CONCc1ccc(F)c(N)c1 259291118 574037786 /nfs/dbraw/zinc/03/77/86/574037786.db2.gz CWPBYBBTZGZVTE-UHFFFAOYSA-N 0 0 170.187 1.059 10 0 ADAERN C[C@@H](O)c1ccc(C2(CO)CC2)cc1 259291923 574037789 /nfs/dbraw/zinc/03/77/89/574037789.db2.gz CAGBZXPSFWMNJB-SECBINFHSA-N 0 0 192.258 1.764 10 0 ADAERN CCCc1c(NC)ncnc1N(C)C 87806414 574038188 /nfs/dbraw/zinc/03/81/88/574038188.db2.gz KQDVWGWFVVDYRQ-UHFFFAOYSA-N 0 0 194.282 1.537 10 0 ADAERN CNc1ncc(Cl)c(N(C)C)n1 87806448 574037802 /nfs/dbraw/zinc/03/78/02/574037802.db2.gz NXGNVXWNKJJSSW-UHFFFAOYSA-N 0 0 186.646 1.238 10 0 ADAERN C[C@H]1CCN[C@H](c2ccncn2)S1 85341878 574037804 /nfs/dbraw/zinc/03/78/04/574037804.db2.gz YHZDPPCRYOGUQT-CBAPKCEASA-N 0 0 195.291 1.590 10 0 ADAERN CCCNc1cc(NC2CC2)ncn1 87807081 574037814 /nfs/dbraw/zinc/03/78/14/574037814.db2.gz ZLUNHKBGNXZBCO-UHFFFAOYSA-N 0 0 192.266 1.873 10 0 ADAERN CC(C)C[C@H](C)C(=O)NC1CC(=O)C1 716974471 574037823 /nfs/dbraw/zinc/03/78/23/574037823.db2.gz AARZFIFCIPXCAW-QMMMGPOBSA-N 0 0 197.278 1.516 10 0 ADAERN [NH3+][C@H](c1cc[nH]c1)C1(C(=O)[O-])CCC1 259292628 574037826 /nfs/dbraw/zinc/03/78/26/574037826.db2.gz HVFMTKJHAIIVLD-MRVPVSSYSA-N 0 0 194.234 1.269 10 0 ADAERN C[C@H](O)c1ccc(C2(CO)CC2)cc1 259291927 574037829 /nfs/dbraw/zinc/03/78/29/574037829.db2.gz CAGBZXPSFWMNJB-VIFPVBQESA-N 0 0 192.258 1.764 10 0 ADAERN Cc1cnc([C@@H](N)C(F)F)c(C)c1 686240687 574037863 /nfs/dbraw/zinc/03/78/63/574037863.db2.gz JKCIBWDNXACMIX-SSDOTTSWSA-N 0 0 186.205 1.963 10 0 ADAERN C[C@H](Cc1ccccc1O)ON 259292341 574037891 /nfs/dbraw/zinc/03/78/91/574037891.db2.gz BAKJNYUIZHILQD-SSDOTTSWSA-N 0 0 167.208 1.214 10 0 ADAERN Cc1cnc(N)nc1NC(C)(C)C 87801773 574037893 /nfs/dbraw/zinc/03/78/93/574037893.db2.gz HXEDWXQSOBRXLJ-UHFFFAOYSA-N 0 0 180.255 1.578 10 0 ADAERN CCNc1ncc(F)c(N(C)C)n1 87806465 574037906 /nfs/dbraw/zinc/03/79/06/574037906.db2.gz DFQDBRAKEQHGCG-UHFFFAOYSA-N 0 0 184.218 1.114 10 0 ADAERN Cc1c(N)ncnc1N[C@H](C)C(C)C 87801310 574037909 /nfs/dbraw/zinc/03/79/09/574037909.db2.gz KFYSDPWDMMAONQ-MRVPVSSYSA-N 0 0 194.282 1.824 10 0 ADAERN CNc1ncc(C)c(NC(C)C)n1 87806755 574037916 /nfs/dbraw/zinc/03/79/16/574037916.db2.gz OORLECFIYAKREM-UHFFFAOYSA-N 0 0 180.255 1.647 10 0 ADAERN Cc1c(N)ncnc1NC(C)C 87806741 574037922 /nfs/dbraw/zinc/03/79/22/574037922.db2.gz RYCZNXQZMVOLNH-UHFFFAOYSA-N 0 0 166.228 1.188 10 0 ADAERN OCc1cnoc1[C@@H]1CCCO1 259290730 574037923 /nfs/dbraw/zinc/03/79/23/574037923.db2.gz QDMPNEOWHMXIJA-ZETCQYMHSA-N 0 0 169.180 1.018 10 0 ADAERN CCc1cnc(NC(C)C)nc1 259291619 574037926 /nfs/dbraw/zinc/03/79/26/574037926.db2.gz FUNTXMKRAYRXKP-UHFFFAOYSA-N 0 0 165.240 1.859 10 0 ADAERN CCC(CC)C[C@@H]([NH3+])c1c[nH]nn1 128222177 574037927 /nfs/dbraw/zinc/03/79/27/574037927.db2.gz ZQGXZSGOJRCFOY-MRVPVSSYSA-N 0 0 182.271 1.631 10 0 ADAERN CCC(C)(C)Nc1ccnc(N)n1 87801673 574037936 /nfs/dbraw/zinc/03/79/36/574037936.db2.gz XZWUOISGUBLLOB-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN CO[C@@H](C)C[C@@H](O)c1cccnc1 128230637 574037957 /nfs/dbraw/zinc/03/79/57/574037957.db2.gz TTXRWUGYWISQOP-WCBMZHEXSA-N 0 0 181.235 1.540 10 0 ADAERN CC[C@H](C[C@@H]1CCC2(CCC2)O1)NN 716976426 574038202 /nfs/dbraw/zinc/03/82/02/574038202.db2.gz JIWFEUXMRDTQGM-ZJUUUORDSA-N 0 0 198.310 1.720 10 0 ADAERN CNc1cc(N(C)C)nc(SC)n1 87806485 574038203 /nfs/dbraw/zinc/03/82/03/574038203.db2.gz SMDKUTWDHGCAMO-UHFFFAOYSA-N 0 0 198.295 1.306 10 0 ADAERN C[C@H]1CCN[C@@H](c2ccncn2)S1 85341881 574037967 /nfs/dbraw/zinc/03/79/67/574037967.db2.gz YHZDPPCRYOGUQT-IONNQARKSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccncn2)SC1 85337731 574037975 /nfs/dbraw/zinc/03/79/75/574037975.db2.gz BYDNESSDEBULOA-VXNVDRBHSA-N 0 0 195.291 1.448 10 0 ADAERN C[C@@H]1CCN[C@@H](c2cncn2C)S1 85342252 574037982 /nfs/dbraw/zinc/03/79/82/574037982.db2.gz CZUPISJFQLQKTN-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN CCN[C@H](c1coc(C)n1)C(F)F 686240651 574037989 /nfs/dbraw/zinc/03/79/89/574037989.db2.gz CTNITOQFONIWIF-SSDOTTSWSA-N 0 0 190.193 1.899 10 0 ADAERN CC(C)[C@@H](C)Nc1cc(N)nc(N)n1 87801333 574037991 /nfs/dbraw/zinc/03/79/91/574037991.db2.gz XYEATVPNZQDGED-ZCFIWIBFSA-N 0 0 195.270 1.097 10 0 ADAERN CNc1cncc(N2CCCC2)n1 87805731 574037996 /nfs/dbraw/zinc/03/79/96/574037996.db2.gz JTCWYCNEFCNJNX-UHFFFAOYSA-N 0 0 178.239 1.119 10 0 ADAERN CCCNc1cc(N(C)C)ncn1 87806449 574038005 /nfs/dbraw/zinc/03/80/05/574038005.db2.gz QDTDHOSBFPVYNK-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN CCC(CC)C[C@H]([NH2+]C)c1cnn[nH]1 128222895 574038018 /nfs/dbraw/zinc/03/80/18/574038018.db2.gz PEYBTKKAUKZUGT-VIFPVBQESA-N 0 0 196.298 1.892 10 0 ADAERN CC(C)[C@H](C)Nc1nc(N)ncc1F 87801219 574038019 /nfs/dbraw/zinc/03/80/19/574038019.db2.gz UAPHKTWEAWBLMO-LURJTMIESA-N 0 0 198.245 1.654 10 0 ADAERN CO[C@H](C)C[C@@H](O)c1cccnc1 128230855 574038205 /nfs/dbraw/zinc/03/82/05/574038205.db2.gz TTXRWUGYWISQOP-PSASIEDQSA-N 0 0 181.235 1.540 10 0 ADAERN C[C@@H]1CN[C@H](c2cncn2C)SC1 85337276 574038027 /nfs/dbraw/zinc/03/80/27/574038027.db2.gz RPDLMJJCCPGEOS-APPZFPTMSA-N 0 0 197.307 1.391 10 0 ADAERN CC(C)Nc1nc(N)cn2ccnc12 87806708 574038039 /nfs/dbraw/zinc/03/80/39/574038039.db2.gz HHUXIQSSIPRADM-UHFFFAOYSA-N 0 0 191.238 1.132 10 0 ADAERN CC[C@H](C)Nc1nc(N)ncc1F 87806894 574038044 /nfs/dbraw/zinc/03/80/44/574038044.db2.gz ILYJBBBJMOAZQQ-YFKPBYRVSA-N 0 0 184.218 1.408 10 0 ADAERN Nc1cc(F)cc(-n2cccn2)c1 87799943 574038046 /nfs/dbraw/zinc/03/80/46/574038046.db2.gz WHYNOTDGONGVOZ-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN C[C@@H]1CN[C@H](C(F)(F)F)CSC1 85339103 574038047 /nfs/dbraw/zinc/03/80/47/574038047.db2.gz QUGNMRRUERCJPE-RITPCOANSA-N 0 0 199.241 1.890 10 0 ADAERN COc1cc(N)cc(N(C)OC)c1 87794202 574038048 /nfs/dbraw/zinc/03/80/48/574038048.db2.gz KHKMXCRETNGQBE-UHFFFAOYSA-N 0 0 182.223 1.275 10 0 ADAERN Cc1cnc(N)nc1NC1CCCC1 87807225 574038052 /nfs/dbraw/zinc/03/80/52/574038052.db2.gz FQUPCKFMFWDGDW-UHFFFAOYSA-N 0 0 192.266 1.722 10 0 ADAERN CNc1cc(N[C@@H](C)C(C)C)ncn1 87801272 574038067 /nfs/dbraw/zinc/03/80/67/574038067.db2.gz WOYDMPQZLRARDZ-QMMMGPOBSA-N 0 0 194.282 1.975 10 0 ADAERN CN(C)c1nc(N)nc2ccccc12 87806407 574038082 /nfs/dbraw/zinc/03/80/82/574038082.db2.gz FKNOUTUHNAYQJG-UHFFFAOYSA-N 0 0 188.234 1.278 10 0 ADAERN CNc1nccc(N[C@H](C)C(C)C)n1 87801406 574038090 /nfs/dbraw/zinc/03/80/90/574038090.db2.gz MNHKKNCLEPMZSM-MRVPVSSYSA-N 0 0 194.282 1.975 10 0 ADAERN CCNc1cc(NC(C)C)nc(N)n1 87806729 574038093 /nfs/dbraw/zinc/03/80/93/574038093.db2.gz DZERBEBTUMXKAE-UHFFFAOYSA-N 0 0 195.270 1.311 10 0 ADAERN CCN(CC)c1ncnc(N)c1C 87805825 574038111 /nfs/dbraw/zinc/03/81/11/574038111.db2.gz DLEAFPVGBBAQGC-UHFFFAOYSA-N 0 0 180.255 1.213 10 0 ADAERN CO[C@@H](C)C[C@@H](O)c1cnccc1C 128217804 574038119 /nfs/dbraw/zinc/03/81/19/574038119.db2.gz QZKDOUMYNWOJHU-GXSJLCMTSA-N 0 0 195.262 1.848 10 0 ADAERN CCC(CC)Nc1ncnc(N)c1C 87807264 574038123 /nfs/dbraw/zinc/03/81/23/574038123.db2.gz VOSJAHJCELOCKE-UHFFFAOYSA-N 0 0 194.282 1.968 10 0 ADAERN CCCNc1ncnc(N)c1CC 87806637 574038141 /nfs/dbraw/zinc/03/81/41/574038141.db2.gz MPXOCHBSJWVRJR-UHFFFAOYSA-N 0 0 180.255 1.443 10 0 ADAERN CCCNc1nc(N)ncc1C 87806674 574038148 /nfs/dbraw/zinc/03/81/48/574038148.db2.gz WMDHWSPVDPEJPJ-UHFFFAOYSA-N 0 0 166.228 1.189 10 0 ADAERN CNc1ncc(F)c(NCC(C)C)n1 87807141 574038153 /nfs/dbraw/zinc/03/81/53/574038153.db2.gz QXRJYBMMQORQPM-UHFFFAOYSA-N 0 0 198.245 1.725 10 0 ADAERN CCNc1ncnc(NC2CC2)c1C 87807043 574038164 /nfs/dbraw/zinc/03/81/64/574038164.db2.gz ZHWFVFJJKIXXNQ-UHFFFAOYSA-N 0 0 192.266 1.791 10 0 ADAERN Cc1c(N)ncnc1NC(C)(C)C 87801746 574038170 /nfs/dbraw/zinc/03/81/70/574038170.db2.gz BMZYGPGQMLKIJC-UHFFFAOYSA-N 0 0 180.255 1.578 10 0 ADAERN CC(C)CCN1C(=O)C[C@H](CO)[C@H]1C 259294262 574040119 /nfs/dbraw/zinc/04/01/19/574040119.db2.gz HESZRJICMOTQKS-NXEZZACHSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@H](C[C@H]1CCC2(CCC2)O1)NN 716976423 574040139 /nfs/dbraw/zinc/04/01/39/574040139.db2.gz JIWFEUXMRDTQGM-NXEZZACHSA-N 0 0 198.310 1.720 10 0 ADAERN CNc1ncc(Cl)c(NC)n1 87807334 574040227 /nfs/dbraw/zinc/04/02/27/574040227.db2.gz IVDMJGAFGSFPGW-UHFFFAOYSA-N 0 0 172.619 1.213 10 0 ADAERN CC(=O)[C@@H]1C=C[C@H](F)C(=O)C1 100220519 574040238 /nfs/dbraw/zinc/04/02/38/574040238.db2.gz ZKCBDSPRXFFKMJ-RQJHMYQMSA-N 0 0 156.156 1.541 10 0 ADAERN Cc1nc2ccc(CNN)cc2s1 259295191 574041111 /nfs/dbraw/zinc/04/11/11/574041111.db2.gz UVJIQSOEPTXGAI-UHFFFAOYSA-N 0 0 193.275 1.568 10 0 ADAERN CC(=O)[C@H]1C=C[C@H](F)C(=O)C1 100220523 574040188 /nfs/dbraw/zinc/04/01/88/574040188.db2.gz ZKCBDSPRXFFKMJ-BQBZGAKWSA-N 0 0 156.156 1.541 10 0 ADAERN CCN(c1ncnc(N)c1C)C(C)C 87808958 574040191 /nfs/dbraw/zinc/04/01/91/574040191.db2.gz WMSJXPGULZIAOS-UHFFFAOYSA-N 0 0 194.282 1.602 10 0 ADAERN CCCc1nc(CC(C)=O)[nH]c1C 258468167 574040194 /nfs/dbraw/zinc/04/01/94/574040194.db2.gz ADDOZCIWZLCQNE-UHFFFAOYSA-N 0 0 180.251 1.802 10 0 ADAERN CC[C@H](C)N(C)c1cncc(NC)n1 87809373 574040245 /nfs/dbraw/zinc/04/02/45/574040245.db2.gz ZNZBBPBRMPSEBY-QMMMGPOBSA-N 0 0 194.282 1.753 10 0 ADAERN CCN(c1ccnc(N)n1)C1CC1 87808847 574040249 /nfs/dbraw/zinc/04/02/49/574040249.db2.gz IARQJSJZRFCSMR-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN CC(=O)[C@@H]1C=C[C@@H](F)C(=O)C1 100220526 574040254 /nfs/dbraw/zinc/04/02/54/574040254.db2.gz ZKCBDSPRXFFKMJ-RNFRBKRXSA-N 0 0 156.156 1.541 10 0 ADAERN CC(C)CN(C)c1nc(N)ncc1F 87809249 574040257 /nfs/dbraw/zinc/04/02/57/574040257.db2.gz FCLSZCVQKNUWDW-UHFFFAOYSA-N 0 0 198.245 1.290 10 0 ADAERN CCN(c1ncnc(N)c1C)C1CC1 87808820 574040276 /nfs/dbraw/zinc/04/02/76/574040276.db2.gz BDDARFSJGMVPQU-UHFFFAOYSA-N 0 0 192.266 1.356 10 0 ADAERN Cc1nc(C2(CO)CC2)sc1C 259292997 574040283 /nfs/dbraw/zinc/04/02/83/574040283.db2.gz CDURYFGMCQNPKA-UHFFFAOYSA-N 0 0 183.276 1.784 10 0 ADAERN C[C@H]([C@H]1CC(=O)NC1=O)C(C)(C)C 112557257 574040288 /nfs/dbraw/zinc/04/02/88/574040288.db2.gz PVPZCVGBWXPUNI-RNFRBKRXSA-N 0 0 183.251 1.331 10 0 ADAERN CCN(c1cc(N)ncn1)C1CC1 87808795 574040304 /nfs/dbraw/zinc/04/03/04/574040304.db2.gz ZAEZXVDHPUBNQU-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN CCN(c1cc(NC)ncn1)C1CC1 87808810 574040332 /nfs/dbraw/zinc/04/03/32/574040332.db2.gz AALFIZIUCISDHP-UHFFFAOYSA-N 0 0 192.266 1.507 10 0 ADAERN CCCCNc1ncnc(N)c1C 87807917 574040376 /nfs/dbraw/zinc/04/03/76/574040376.db2.gz DEMZARYTSHUSQS-UHFFFAOYSA-N 0 0 180.255 1.579 10 0 ADAERN COC(=O)c1sc(C2CC2)nc1N 259293903 574040382 /nfs/dbraw/zinc/04/03/82/574040382.db2.gz BDGUSKDRFUKVOV-UHFFFAOYSA-N 0 0 198.247 1.389 10 0 ADAERN CCNc1ncnc(NC)c1C 87807301 574040404 /nfs/dbraw/zinc/04/04/04/574040404.db2.gz BHKXVNHWEUBSNO-UHFFFAOYSA-N 0 0 166.228 1.259 10 0 ADAERN CCN(C)c1ncnc(N)c1C(C)C 87808701 574040412 /nfs/dbraw/zinc/04/04/12/574040412.db2.gz ZHMGDOIWPWHHBR-UHFFFAOYSA-N 0 0 194.282 1.638 10 0 ADAERN CC[C@H](C)N(C)c1cc(N)ncn1 87809307 574040418 /nfs/dbraw/zinc/04/04/18/574040418.db2.gz KMUKOXZBGVLPBL-ZETCQYMHSA-N 0 0 180.255 1.294 10 0 ADAERN CCOc1ccc(/C=C/CON)cc1 258468070 574040429 /nfs/dbraw/zinc/04/04/29/574040429.db2.gz ADFSJSUTJSZOBY-ONEGZZNKSA-N 0 0 193.246 1.989 10 0 ADAERN CCN(c1nc(N)ncc1C)C(C)C 87808971 574040437 /nfs/dbraw/zinc/04/04/37/574040437.db2.gz IZAGTHGXEYLTMA-UHFFFAOYSA-N 0 0 194.282 1.602 10 0 ADAERN CC[C@@H]1CS[C@@H](C)[NH2+]1 85347160 574040443 /nfs/dbraw/zinc/04/04/43/574040443.db2.gz WTVANKKUWLHZKO-NTSWFWBYSA-N 0 0 131.244 1.447 10 0 ADAERN CCCN(C)c1ncnc(NC)c1C 87809227 574041029 /nfs/dbraw/zinc/04/10/29/574041029.db2.gz CROMEGWFVGFBAA-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN CC[C@@H](C)N(C)c1ccnc(NC)n1 87809406 574040457 /nfs/dbraw/zinc/04/04/57/574040457.db2.gz DDNMZWNDVHQQPA-MRVPVSSYSA-N 0 0 194.282 1.753 10 0 ADAERN Cc1c(N)ncnc1NCCC(C)C 87808034 574040484 /nfs/dbraw/zinc/04/04/84/574040484.db2.gz LPVNTMMWMDTXSG-UHFFFAOYSA-N 0 0 194.282 1.825 10 0 ADAERN C[C@H]1Nc2ccc(N)cc2N(C)C1=O 259294396 574041030 /nfs/dbraw/zinc/04/10/30/574041030.db2.gz QHUSDEMZSQEZFS-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN CC[C@@H](C)N(C)c1ccnc(N)n1 87809410 574040491 /nfs/dbraw/zinc/04/04/91/574040491.db2.gz MKHZCHFQOGTCNU-SSDOTTSWSA-N 0 0 180.255 1.294 10 0 ADAERN CCCc1c(NC)ncnc1NCC 87807304 574040500 /nfs/dbraw/zinc/04/05/00/574040500.db2.gz GQSCNXUTBUYIRA-UHFFFAOYSA-N 0 0 194.282 1.903 10 0 ADAERN CC[C@@H](C)N(C)c1cncc(NC)n1 87809372 574040504 /nfs/dbraw/zinc/04/05/04/574040504.db2.gz ZNZBBPBRMPSEBY-MRVPVSSYSA-N 0 0 194.282 1.753 10 0 ADAERN CC[C@@H]1CS[C@H](C)[NH2+]1 85347158 574040511 /nfs/dbraw/zinc/04/05/11/574040511.db2.gz WTVANKKUWLHZKO-PHDIDXHHSA-N 0 0 131.244 1.447 10 0 ADAERN CCCN(C)c1nc(N)ncc1C 87809223 574040549 /nfs/dbraw/zinc/04/05/49/574040549.db2.gz QTGVGLOKZYOFHM-UHFFFAOYSA-N 0 0 180.255 1.213 10 0 ADAERN CNc1ncc(F)c(N(C)C2CC2)n1 87808875 574040565 /nfs/dbraw/zinc/04/05/65/574040565.db2.gz KGHPAEOQWAPOBF-UHFFFAOYSA-N 0 0 196.229 1.256 10 0 ADAERN CCCC1(Br)COC1 258468231 574040582 /nfs/dbraw/zinc/04/05/82/574040582.db2.gz AFMCXKSOVRGFPR-UHFFFAOYSA-N 0 0 179.057 1.950 10 0 ADAERN CNc1nccc(N(C)C2CC2)n1 87808923 574040611 /nfs/dbraw/zinc/04/06/11/574040611.db2.gz FMNXRDAEGCLKMR-UHFFFAOYSA-N 0 0 178.239 1.117 10 0 ADAERN CCC(=O)C[C@@H]1OC(=O)C[C@H]1C 209655008 574040612 /nfs/dbraw/zinc/04/06/12/574040612.db2.gz PTZXSEJQYDHSJN-SVRRBLITSA-N 0 0 170.208 1.307 10 0 ADAERN CNc1cncc(NCC2CC2)n1 87807592 574041038 /nfs/dbraw/zinc/04/10/38/574041038.db2.gz DNVJVQLVVMZHSL-UHFFFAOYSA-N 0 0 178.239 1.340 10 0 ADAERN CCNc1ncnc(NC)c1CC 87807302 574040649 /nfs/dbraw/zinc/04/06/49/574040649.db2.gz ATECJRQOSOOUJZ-UHFFFAOYSA-N 0 0 180.255 1.513 10 0 ADAERN CCNc1nc(NC)ncc1C 87807446 574041041 /nfs/dbraw/zinc/04/10/41/574041041.db2.gz GNXVSLANIDTAKU-UHFFFAOYSA-N 0 0 166.228 1.259 10 0 ADAERN CNc1ncnc(NCC2CC2)c1C 87807605 574040676 /nfs/dbraw/zinc/04/06/76/574040676.db2.gz DLZSSIOVIQPOJK-UHFFFAOYSA-N 0 0 192.266 1.649 10 0 ADAERN CCN(C)c1nc(N)ncc1Cl 87808761 574040698 /nfs/dbraw/zinc/04/06/98/574040698.db2.gz PMRJKGOBIYZSHT-UHFFFAOYSA-N 0 0 186.646 1.168 10 0 ADAERN CNc1ncnc(NC)c1C(C)C 87807305 574040703 /nfs/dbraw/zinc/04/07/03/574040703.db2.gz CQIPJWNWHXQUPT-UHFFFAOYSA-N 0 0 180.255 1.683 10 0 ADAERN CCNc1ncc(F)c(NCC)n1 87807451 574040723 /nfs/dbraw/zinc/04/07/23/574040723.db2.gz PVWBFOVIZYHGJJ-UHFFFAOYSA-N 0 0 184.218 1.479 10 0 ADAERN CNc1nc(N)nc2ccccc12 87807295 574040758 /nfs/dbraw/zinc/04/07/58/574040758.db2.gz LNRSCUMSDFGNIY-UHFFFAOYSA-N 0 0 174.207 1.254 10 0 ADAERN CCNc1nccc(N(C)CC)n1 87808765 574040762 /nfs/dbraw/zinc/04/07/62/574040762.db2.gz NWLPLJBIPTYSOM-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN CCc1c(N)ncnc1N(C)CC 87808717 574040769 /nfs/dbraw/zinc/04/07/69/574040769.db2.gz LGSNURDGHZPNAC-UHFFFAOYSA-N 0 0 180.255 1.077 10 0 ADAERN CCNc1ncc(Cl)c(NC)n1 87807319 574040821 /nfs/dbraw/zinc/04/08/21/574040821.db2.gz MCNRHLJYMLCXCZ-UHFFFAOYSA-N 0 0 186.646 1.604 10 0 ADAERN CCN(C)c1nc(NC)ncc1C 87808756 574040827 /nfs/dbraw/zinc/04/08/27/574040827.db2.gz HWAGLYYPRFPYIL-UHFFFAOYSA-N 0 0 180.255 1.283 10 0 ADAERN Cc1c(N)ncnc1NCC1CCC1 87809842 574040847 /nfs/dbraw/zinc/04/08/47/574040847.db2.gz ZREDJHYPSHTDDV-UHFFFAOYSA-N 0 0 192.266 1.579 10 0 ADAERN CC[C@@H](C)N(C)c1nc(N)ncc1C 87809382 574040884 /nfs/dbraw/zinc/04/08/84/574040884.db2.gz NYNZILZUKMUYLB-MRVPVSSYSA-N 0 0 194.282 1.602 10 0 ADAERN CNc1ncnc(N(C)C2CC2)c1C 87808910 574040924 /nfs/dbraw/zinc/04/09/24/574040924.db2.gz QGUXZKQYSIQZJN-UHFFFAOYSA-N 0 0 192.266 1.425 10 0 ADAERN Cc1csc(NC(C)(C)CO)n1 35606561 574040949 /nfs/dbraw/zinc/04/09/49/574040949.db2.gz VBUIOCMUNXDXIN-UHFFFAOYSA-N 0 0 186.280 1.634 10 0 ADAERN COC(=O)C1(C2CCCCC2)COC1 258468077 574040971 /nfs/dbraw/zinc/04/09/71/574040971.db2.gz ABSAMZBOLZVRJC-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN Nc1cc(-c2cccs2)c(N)nn1 258468121 574040976 /nfs/dbraw/zinc/04/09/76/574040976.db2.gz ADWLJYCBXHUXNY-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN CC[C@@H](C)N(C)c1cc(N)ncn1 87809306 574040978 /nfs/dbraw/zinc/04/09/78/574040978.db2.gz KMUKOXZBGVLPBL-SSDOTTSWSA-N 0 0 180.255 1.294 10 0 ADAERN CNc1ncc(F)c(NCC2CC2)n1 87807570 574041099 /nfs/dbraw/zinc/04/10/99/574041099.db2.gz RGGLJJLQXFLHCF-UHFFFAOYSA-N 0 0 196.229 1.479 10 0 ADAERN COC(=O)c1cc2c(C)[nH]sc-2n1 259295717 574042621 /nfs/dbraw/zinc/04/26/21/574042621.db2.gz IEKAHOSXARXUCA-UHFFFAOYSA-N 0 0 196.231 1.719 10 0 ADAERN Cn1cc([C@H]2NC(C)(C)CS2)cn1 85349691 574042625 /nfs/dbraw/zinc/04/26/25/574042625.db2.gz JAOFEMBKKJTROL-QMMMGPOBSA-N 0 0 197.307 1.534 10 0 ADAERN C=CC=CCC=O 113114011 574045322 /nfs/dbraw/zinc/04/53/22/574045322.db2.gz JKUUTFMGFNSQNT-VNKDHWASSA-N 0 0 96.129 1.800 10 0 ADAERN CNc1ncc(C)c(NC2CCC2)n1 87827125 574043158 /nfs/dbraw/zinc/04/31/58/574043158.db2.gz IXNJYDIJWSACGI-UHFFFAOYSA-N 0 0 192.266 1.791 10 0 ADAERN CC[C@H](C)Oc1nc(NC)ncc1F 87842131 574045323 /nfs/dbraw/zinc/04/53/23/574045323.db2.gz LXIXBXBEILUCCH-LURJTMIESA-N 0 0 199.229 1.835 10 0 ADAERN CCC[C@H](C)Nc1cc(N)nc(N)n1 87807716 574042255 /nfs/dbraw/zinc/04/22/55/574042255.db2.gz MXIQWSLFTSNRCR-LURJTMIESA-N 0 0 195.270 1.242 10 0 ADAERN Nc1ccc2c(c1)NCC1(CC1)CN2 259294425 574042268 /nfs/dbraw/zinc/04/22/68/574042268.db2.gz QJUFIKBLTXRQIM-UHFFFAOYSA-N 0 0 189.262 1.886 10 0 ADAERN CC[C@H](C)N(C)c1ncnc(N)c1C 87809357 574042291 /nfs/dbraw/zinc/04/22/91/574042291.db2.gz BEEMUDNTVOJSPY-ZETCQYMHSA-N 0 0 194.282 1.602 10 0 ADAERN CCCCNc1nc(N)ncc1C 87807932 574042298 /nfs/dbraw/zinc/04/22/98/574042298.db2.gz IGCYMKSLZSGYEP-UHFFFAOYSA-N 0 0 180.255 1.579 10 0 ADAERN CN1C[C@@H](C2CCCC2)NC1=O 259294955 574042299 /nfs/dbraw/zinc/04/22/99/574042299.db2.gz FYEWWHKKNUUPLI-QMMMGPOBSA-N 0 0 168.240 1.200 10 0 ADAERN CCCN(C)c1ncnc(N)c1C 87809205 574042303 /nfs/dbraw/zinc/04/23/03/574042303.db2.gz QLGVOINDJDHFKI-UHFFFAOYSA-N 0 0 180.255 1.213 10 0 ADAERN COc1cc(N)cc2onc(C)c12 259294713 574042306 /nfs/dbraw/zinc/04/23/06/574042306.db2.gz DEIJMNHRLFYMFG-UHFFFAOYSA-N 0 0 178.191 1.727 10 0 ADAERN Cc1cc2nn(C)cc2cc1C=O 259294936 574042316 /nfs/dbraw/zinc/04/23/16/574042316.db2.gz DGITYINBAKXQDP-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN CCCNc1ncc(F)c(NCC)n1 87807434 574042325 /nfs/dbraw/zinc/04/23/25/574042325.db2.gz CADGCNQWVGXXBD-UHFFFAOYSA-N 0 0 198.245 1.869 10 0 ADAERN CNc1cncc(N(C)CC(C)C)n1 87809281 574042346 /nfs/dbraw/zinc/04/23/46/574042346.db2.gz OMHCYOGSVYVKGV-UHFFFAOYSA-N 0 0 194.282 1.611 10 0 ADAERN O=C1Nc2cccc(F)c2OC12CC2 259294451 574042347 /nfs/dbraw/zinc/04/23/47/574042347.db2.gz QLIQFGQELMZMLX-UHFFFAOYSA-N 0 0 193.177 1.689 10 0 ADAERN CCNc1nc(N)nc2ccccc12 87807420 574042350 /nfs/dbraw/zinc/04/23/50/574042350.db2.gz PYWQOYOOIYVNRP-UHFFFAOYSA-N 0 0 188.234 1.644 10 0 ADAERN CCC[C@@H](C)Nc1nc(N)ncc1F 87807655 574042356 /nfs/dbraw/zinc/04/23/56/574042356.db2.gz YCUPKRAYXXLWLR-ZCFIWIBFSA-N 0 0 198.245 1.798 10 0 ADAERN CC(C)COc1nc(N)ncc1F 87841225 574046141 /nfs/dbraw/zinc/04/61/41/574046141.db2.gz VOWVLEJOLSFNQU-UHFFFAOYSA-N 0 0 185.202 1.233 10 0 ADAERN CCNc1cc(N[C@H]2C[C@H]2C)ncn1 87827472 574043180 /nfs/dbraw/zinc/04/31/80/574043180.db2.gz BMGUOGBDUNMPBW-SFYZADRCSA-N 0 0 192.266 1.729 10 0 ADAERN CCC[C@H](C)Nc1nc(N)ncc1F 87807656 574042388 /nfs/dbraw/zinc/04/23/88/574042388.db2.gz YCUPKRAYXXLWLR-LURJTMIESA-N 0 0 198.245 1.798 10 0 ADAERN CCN(c1nc(N)ncc1F)C1CC1 87808796 574042407 /nfs/dbraw/zinc/04/24/07/574042407.db2.gz PDBWNCFWTMPSJV-UHFFFAOYSA-N 0 0 196.229 1.187 10 0 ADAERN CCCc1c(NC)ncnc1NC 87807303 574042427 /nfs/dbraw/zinc/04/24/27/574042427.db2.gz OANPACZBHIRCSB-UHFFFAOYSA-N 0 0 180.255 1.513 10 0 ADAERN CCC[C@H](C)Nc1nc(N)ncc1C 87807730 574042444 /nfs/dbraw/zinc/04/24/44/574042444.db2.gz AXEGIMZYJZWONL-QMMMGPOBSA-N 0 0 194.282 1.968 10 0 ADAERN CC[C@@]1(C)C[C@@H]1c1nc(CNC)no1 393611838 574042445 /nfs/dbraw/zinc/04/24/45/574042445.db2.gz ICQIAQHJRFUXLN-XCBNKYQSSA-N 0 0 195.266 1.693 10 0 ADAERN CNc1ncc(C)c(NCC2CC2)n1 87807596 574042456 /nfs/dbraw/zinc/04/24/56/574042456.db2.gz LCYSVQNVCHGALJ-UHFFFAOYSA-N 0 0 192.266 1.649 10 0 ADAERN CNc1cc(N(C)C2CC2)ncn1 87808874 574042468 /nfs/dbraw/zinc/04/24/68/574042468.db2.gz SVIDUCOREQGYLU-UHFFFAOYSA-N 0 0 178.239 1.117 10 0 ADAERN CCNc1nc(NC)ncc1Cl 87807445 574042494 /nfs/dbraw/zinc/04/24/94/574042494.db2.gz ORDUITWJGWLMBJ-UHFFFAOYSA-N 0 0 186.646 1.604 10 0 ADAERN CN(c1cc(N)ncn1)C1CCCC1 87809016 574042498 /nfs/dbraw/zinc/04/24/98/574042498.db2.gz GJZTWSHFTGNDOG-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN CCN(c1ccnc(N)n1)C(C)C 87808985 574042508 /nfs/dbraw/zinc/04/25/08/574042508.db2.gz LGMLPVAWWHUAFD-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN CC[C@@H](C)N(C)c1ncnc(N)c1C 87809356 574042542 /nfs/dbraw/zinc/04/25/42/574042542.db2.gz BEEMUDNTVOJSPY-SSDOTTSWSA-N 0 0 194.282 1.602 10 0 ADAERN CCN(C)c1cc(N)nc(SC)n1 87808737 574042551 /nfs/dbraw/zinc/04/25/51/574042551.db2.gz IDCXPEKVMQANIC-UHFFFAOYSA-N 0 0 198.295 1.237 10 0 ADAERN Cc1cnc(N)nc1NCC1CCC1 87809866 574042573 /nfs/dbraw/zinc/04/25/73/574042573.db2.gz AVLVYBPOQGXUIT-UHFFFAOYSA-N 0 0 192.266 1.579 10 0 ADAERN CCCOC(=O)N[C@H](C)[C@H](C)CO 388681239 574042574 /nfs/dbraw/zinc/04/25/74/574042574.db2.gz ISDADWQNVFWAIC-HTQZYQBOSA-N 0 0 189.255 1.140 10 0 ADAERN C[C@H](ON)c1ccccc1O 259295851 574042694 /nfs/dbraw/zinc/04/26/94/574042694.db2.gz BEBXYDHHGFURRN-LURJTMIESA-N 0 0 153.181 1.344 10 0 ADAERN OCSc1cccs1 259295608 574042743 /nfs/dbraw/zinc/04/27/43/574042743.db2.gz TWNRBSSVBIZBAE-UHFFFAOYSA-N 0 0 146.236 1.790 10 0 ADAERN CC1(C)CS[C@@H](c2ccncn2)N1 85349597 574042757 /nfs/dbraw/zinc/04/27/57/574042757.db2.gz DYSJWORRSMVUTB-QMMMGPOBSA-N 0 0 195.291 1.590 10 0 ADAERN CC1N=NC(=S)N1[C@H]1C[C@H]1C1CC1 716988251 574043197 /nfs/dbraw/zinc/04/31/97/574043197.db2.gz ROGGCBLTMDFAHM-YUMQZZPRSA-N 0 0 195.291 1.846 10 0 ADAERN CC(C)(C)CNc1cc(N)nc(N)n1 87820654 574042820 /nfs/dbraw/zinc/04/28/20/574042820.db2.gz NUYTXUHFZYPMQX-UHFFFAOYSA-N 0 0 195.270 1.099 10 0 ADAERN Cn1cncc1[C@@H]1NC(C)(C)CS1 85349696 574043199 /nfs/dbraw/zinc/04/31/99/574043199.db2.gz ZWGUAHMKWFLNSQ-MRVPVSSYSA-N 0 0 197.307 1.534 10 0 ADAERN Cc1ccccc1C[C@@H](C)ON 259295920 574042879 /nfs/dbraw/zinc/04/28/79/574042879.db2.gz BEODJIWMPPJGLK-SECBINFHSA-N 0 0 165.236 1.816 10 0 ADAERN CC(=O)O[C@@H](C)c1ccc(F)cn1 209652149 574042898 /nfs/dbraw/zinc/04/28/98/574042898.db2.gz MYSPDKCIGGLNGQ-LURJTMIESA-N 0 0 183.182 1.845 10 0 ADAERN Cc1c(N)ncnc1N1CCC[C@H]1C 87820170 574042903 /nfs/dbraw/zinc/04/29/03/574042903.db2.gz RWDFYSVECYPRGN-SSDOTTSWSA-N 0 0 192.266 1.356 10 0 ADAERN C[C@H](O)c1ncc(Cl)s1 85352309 574042909 /nfs/dbraw/zinc/04/29/09/574042909.db2.gz WHMUWJPXMSBBIB-VKHMYHEASA-N 0 0 163.629 1.850 10 0 ADAERN CCCOCC(OC)OC 85351135 574042929 /nfs/dbraw/zinc/04/29/29/574042929.db2.gz LEMQBGXHSOXWTI-UHFFFAOYSA-N 0 0 148.202 1.032 10 0 ADAERN Cc1cn(-c2ccc(CO)nc2)cn1 716989031 574042930 /nfs/dbraw/zinc/04/29/30/574042930.db2.gz SWWSRDARVQMEKK-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CCNc1cc(N[C@@H]2C[C@@H]2C)ncn1 87827466 574042934 /nfs/dbraw/zinc/04/29/34/574042934.db2.gz BMGUOGBDUNMPBW-JGVFFNPUSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@@H]1Nc2ccc(N)cc2N(C)C1=O 259294395 574042947 /nfs/dbraw/zinc/04/29/47/574042947.db2.gz QHUSDEMZSQEZFS-LURJTMIESA-N 0 0 191.234 1.046 10 0 ADAERN C[C@@H](ON)c1ccccc1O 259295855 574042977 /nfs/dbraw/zinc/04/29/77/574042977.db2.gz BEBXYDHHGFURRN-ZCFIWIBFSA-N 0 0 153.181 1.344 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1ccnc(N)n1 87830455 574042986 /nfs/dbraw/zinc/04/29/86/574042986.db2.gz OWTPZXCNAHGOHX-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN CC(C)[C@H](C)CNc1cc(N)ncn1 87831473 574042999 /nfs/dbraw/zinc/04/29/99/574042999.db2.gz PYATYLVHXQSMMF-MRVPVSSYSA-N 0 0 194.282 1.763 10 0 ADAERN C[C@H](Nc1cc(N)ncn1)C1CC1 87811799 574043010 /nfs/dbraw/zinc/04/30/10/574043010.db2.gz GRRYTMGYBSIUSB-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN CNc1cc(N[C@@H]2C[C@@H]2C)ncn1 87827354 574043028 /nfs/dbraw/zinc/04/30/28/574043028.db2.gz QCBLXAYKDZMOCQ-NKWVEPMBSA-N 0 0 178.239 1.339 10 0 ADAERN Cc1cnc(N)nc1N[C@@H]1CC1(C)C 87825804 574043034 /nfs/dbraw/zinc/04/30/34/574043034.db2.gz MVAKLNHJKXAEAT-SSDOTTSWSA-N 0 0 192.266 1.578 10 0 ADAERN Cn1cncc1[C@H]1NC(C)(C)CS1 85349697 574043035 /nfs/dbraw/zinc/04/30/35/574043035.db2.gz ZWGUAHMKWFLNSQ-QMMMGPOBSA-N 0 0 197.307 1.534 10 0 ADAERN CNc1ncc(C)c(N[C@@H]2C[C@@H]2C)n1 87827557 574043046 /nfs/dbraw/zinc/04/30/46/574043046.db2.gz DPBGEOPOFWCHCO-POYBYMJQSA-N 0 0 192.266 1.647 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1nc(N)ncc1F 87827183 574043060 /nfs/dbraw/zinc/04/30/60/574043060.db2.gz JEJLHMAOHKRAKC-XINAWCOVSA-N 0 0 182.202 1.018 10 0 ADAERN Cc1cnc(N)nc1NCC(C)(C)C 87820668 574043070 /nfs/dbraw/zinc/04/30/70/574043070.db2.gz AZTUNUDWMRRGIW-UHFFFAOYSA-N 0 0 194.282 1.825 10 0 ADAERN CCc1nc(N)oc1C(C)C 258470564 574043091 /nfs/dbraw/zinc/04/30/91/574043091.db2.gz IFYCJTNOILDJFJ-UHFFFAOYSA-N 0 0 154.213 1.943 10 0 ADAERN CC1(C)CS[C@H](c2ccncn2)N1 85349596 574043101 /nfs/dbraw/zinc/04/31/01/574043101.db2.gz DYSJWORRSMVUTB-MRVPVSSYSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@@H]1Nc2ccc(O)cc2N(C)C1=O 259297731 574043103 /nfs/dbraw/zinc/04/31/03/574043103.db2.gz QNJGUDFUNRYWSM-LURJTMIESA-N 0 0 192.218 1.169 10 0 ADAERN CCOC[C@@H](O)C[C@@H]1CCCCO1 128249483 574043105 /nfs/dbraw/zinc/04/31/05/574043105.db2.gz MIHUXVOOOPGLHP-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CNc1cncc(N[C@H]2CC2(C)C)n1 87825785 574043110 /nfs/dbraw/zinc/04/31/10/574043110.db2.gz CBGOPOLOLRAPND-ZETCQYMHSA-N 0 0 192.266 1.729 10 0 ADAERN CC(C)OCCCCC(N)=S 49583026 574043117 /nfs/dbraw/zinc/04/31/17/574043117.db2.gz JEHJDQPUCNGBRS-UHFFFAOYSA-N 0 0 175.297 1.868 10 0 ADAERN Cc1cnc(N)nc1N[C@@H]1C[C@H]1C 87827599 574043120 /nfs/dbraw/zinc/04/31/20/574043120.db2.gz HTWSKIWQOBRNBC-IYSWYEEDSA-N 0 0 178.239 1.188 10 0 ADAERN CCCc1oncc1C(C)=O 259297728 574043124 /nfs/dbraw/zinc/04/31/24/574043124.db2.gz QNCNITSICUQCMV-UHFFFAOYSA-N 0 0 153.181 1.830 10 0 ADAERN CCNc1ncc(Cl)c(N)n1 87821057 574043144 /nfs/dbraw/zinc/04/31/44/574043144.db2.gz GCXKAZUYRGVYAW-UHFFFAOYSA-N 0 0 172.619 1.144 10 0 ADAERN Nc1ncc(F)c(OC2CCC2)n1 87843011 574046753 /nfs/dbraw/zinc/04/67/53/574046753.db2.gz CJFLXPPMKJKMIL-UHFFFAOYSA-N 0 0 183.186 1.129 10 0 ADAERN CNc1cncc(O[C@H](C)C(C)C)n1 87849206 574046755 /nfs/dbraw/zinc/04/67/55/574046755.db2.gz GHGLMCMDMKPPAM-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN CNc1nccc(NCCC2CC2)n1 87837080 574045395 /nfs/dbraw/zinc/04/53/95/574045395.db2.gz HQKFFKYQBMNSFK-UHFFFAOYSA-N 0 0 192.266 1.730 10 0 ADAERN Cc1cnc(N)nc1OC1CCC1 87843008 574046768 /nfs/dbraw/zinc/04/67/68/574046768.db2.gz JCIIQQXCUOWIED-UHFFFAOYSA-N 0 0 179.223 1.299 10 0 ADAERN CC(C)CSc1cc(N)ncn1 87849587 574046776 /nfs/dbraw/zinc/04/67/76/574046776.db2.gz NYGBEHMQVMTXLU-UHFFFAOYSA-N 0 0 183.280 1.807 10 0 ADAERN CC(C)CSc1ccnc(N)n1 87849627 574046782 /nfs/dbraw/zinc/04/67/82/574046782.db2.gz QNDZBZGRNMUGGH-UHFFFAOYSA-N 0 0 183.280 1.807 10 0 ADAERN CCSc1nc(N)cn2ccnc12 87849984 574046853 /nfs/dbraw/zinc/04/68/53/574046853.db2.gz OALWMPPPGBMMPZ-UHFFFAOYSA-N 0 0 194.263 1.424 10 0 ADAERN CC[C@H](C)Oc1ccnc(NC)n1 87842209 574046863 /nfs/dbraw/zinc/04/68/63/574046863.db2.gz FEZBRCUDGBEEFM-ZETCQYMHSA-N 0 0 181.239 1.696 10 0 ADAERN CSc1nc(C)nc(N)c1C 87850981 574046881 /nfs/dbraw/zinc/04/68/81/574046881.db2.gz WHAXQYVTTNIZFS-UHFFFAOYSA-N 0 0 169.253 1.398 10 0 ADAERN CC[C@H](C)Sc1cc(N)ncn1 87849824 574046889 /nfs/dbraw/zinc/04/68/89/574046889.db2.gz NNSMUDQPRUHWLQ-LURJTMIESA-N 0 0 183.280 1.949 10 0 ADAERN CC[C@H](C)Oc1nc(C)nc(N)c1C 87842137 574046913 /nfs/dbraw/zinc/04/69/13/574046913.db2.gz LWEPAGPVHOUEKU-LURJTMIESA-N 0 0 195.266 1.853 10 0 ADAERN CNc1cc(OC2CCC2)ncn1 87843016 574046934 /nfs/dbraw/zinc/04/69/34/574046934.db2.gz BBVDKSCZDCPEHX-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CNc1cc(O[C@@H](C)C(C)C)ncn1 87849275 574046945 /nfs/dbraw/zinc/04/69/45/574046945.db2.gz ORYZDQJBALMOIP-QMMMGPOBSA-N 0 0 195.266 1.942 10 0 ADAERN CNc1nc(Cl)nc(SC)n1 87850985 574046965 /nfs/dbraw/zinc/04/69/65/574046965.db2.gz DEDRRXAULBSULV-UHFFFAOYSA-N 0 0 190.659 1.289 10 0 ADAERN C1CC[C@H]2SC[NH2+][C@H]2C1 112969759 574045182 /nfs/dbraw/zinc/04/51/82/574045182.db2.gz OGHHATWOTABYKY-NKWVEPMBSA-N 0 0 143.255 1.592 10 0 ADAERN CCCC[C@@H](O)[C@H]1O[C@@H]1C 112999106 574045193 /nfs/dbraw/zinc/04/51/93/574045193.db2.gz SEHZTEMYUSPLDG-PRJMDXOYSA-N 0 0 144.214 1.325 10 0 ADAERN Oc1ccccc1-c1ccnnn1 112989974 574045194 /nfs/dbraw/zinc/04/51/94/574045194.db2.gz HTTGVORJOBRXRJ-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN CCOc1cc(NC)nc(SC)n1 87840875 574045217 /nfs/dbraw/zinc/04/52/17/574045217.db2.gz OCVDLFMJBRXZDZ-UHFFFAOYSA-N 0 0 199.279 1.639 10 0 ADAERN CNc1cc(OCC2CC2)nc(C)n1 87841625 574045220 /nfs/dbraw/zinc/04/52/20/574045220.db2.gz CKRUFSCQROLBSX-UHFFFAOYSA-N 0 0 193.250 1.616 10 0 ADAERN CNc1cncc(-n2cc(C)cn2)n1 87839500 574045223 /nfs/dbraw/zinc/04/52/23/574045223.db2.gz XPVBOBSBMQEAGI-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CNc1cccc(-n2ccnc2C)n1 87839430 574045232 /nfs/dbraw/zinc/04/52/32/574045232.db2.gz XUVQARPNVDHZGN-UHFFFAOYSA-N 0 0 188.234 1.617 10 0 ADAERN Cc1cnc(N)nc1OC(C)C 87841290 574045234 /nfs/dbraw/zinc/04/52/34/574045234.db2.gz IWHGBPBCZDDOGL-UHFFFAOYSA-N 0 0 167.212 1.154 10 0 ADAERN CCNc1ncc(F)c(OCC)n1 87840876 574045235 /nfs/dbraw/zinc/04/52/35/574045235.db2.gz VLFWRYMWYRIWNL-UHFFFAOYSA-N 0 0 185.202 1.446 10 0 ADAERN CC[C@@H](C)Oc1nc(NC)ncc1F 87842130 574045238 /nfs/dbraw/zinc/04/52/38/574045238.db2.gz LXIXBXBEILUCCH-ZCFIWIBFSA-N 0 0 199.229 1.835 10 0 ADAERN CC[C@@H](C)Oc1cc(NC)nc(N)n1 87842182 574047077 /nfs/dbraw/zinc/04/70/77/574047077.db2.gz RZRGXZSICNXTBH-ZCFIWIBFSA-N 0 0 196.254 1.278 10 0 ADAERN CNc1ncc(F)c(OC(C)(C)C)n1 87840288 574045239 /nfs/dbraw/zinc/04/52/39/574045239.db2.gz VIFPURZHTYTWJM-UHFFFAOYSA-N 0 0 199.229 1.835 10 0 ADAERN Cc1nc(N)cc(OC2CCCC2)n1 87840639 574045240 /nfs/dbraw/zinc/04/52/40/574045240.db2.gz YEDDHMXMXDMPMK-UHFFFAOYSA-N 0 0 193.250 1.689 10 0 ADAERN CNc1cncc(OCC(C)C)n1 87841191 574045248 /nfs/dbraw/zinc/04/52/48/574045248.db2.gz KKBLFCGMJGRZTI-UHFFFAOYSA-N 0 0 181.239 1.553 10 0 ADAERN CCCNc1cncc(OC)n1 87840801 574045250 /nfs/dbraw/zinc/04/52/50/574045250.db2.gz KADAXIXZJNCCSM-UHFFFAOYSA-N 0 0 167.212 1.307 10 0 ADAERN CNc1ncc(C)c(OCC2CC2)n1 87841627 574045253 /nfs/dbraw/zinc/04/52/53/574045253.db2.gz JPZZOBDEUCXEMD-UHFFFAOYSA-N 0 0 193.250 1.616 10 0 ADAERN CCCNc1ncc(F)c(OC)n1 87840830 574045259 /nfs/dbraw/zinc/04/52/59/574045259.db2.gz DFKPJWYUPWYELS-UHFFFAOYSA-N 0 0 185.202 1.446 10 0 ADAERN CNc1cccc(-n2ccnc2)n1 87839342 574045264 /nfs/dbraw/zinc/04/52/64/574045264.db2.gz FJMMZVSRVIEALQ-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN CC[C@@H](O)[C@@H](O)CC(C)C 113142931 574045280 /nfs/dbraw/zinc/04/52/80/574045280.db2.gz FZDKHFNKZOXGAZ-SFYZADRCSA-N 0 0 146.230 1.164 10 0 ADAERN Cc1cc(OCC2CC2)nc(N)n1 87841650 574045287 /nfs/dbraw/zinc/04/52/87/574045287.db2.gz YJKWKMOROIMHNR-UHFFFAOYSA-N 0 0 179.223 1.156 10 0 ADAERN CCOc1nc(C)nc(N)c1C 87840871 574045288 /nfs/dbraw/zinc/04/52/88/574045288.db2.gz VCNGWTJMUWCYDX-UHFFFAOYSA-N 0 0 167.212 1.074 10 0 ADAERN N#Cc1cnccc1N[C@@H]1CC[C@H]2C[C@H]21 393613932 574045289 /nfs/dbraw/zinc/04/52/89/574045289.db2.gz UJJKSIJJXBPGGC-MKPLZMMCSA-N 0 0 199.257 1.586 10 0 ADAERN CCCc1c(NC)ncnc1OC 87840837 574045290 /nfs/dbraw/zinc/04/52/90/574045290.db2.gz PSFMCIGQBPAVLI-UHFFFAOYSA-N 0 0 181.239 1.479 10 0 ADAERN Nc1nccc(OCc2ccco2)n1 87840770 574045293 /nfs/dbraw/zinc/04/52/93/574045293.db2.gz UIYQLVTZSXFRQN-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN CCC[C@@H](O)[C@@H](O)CCC(C)C 113140718 574045296 /nfs/dbraw/zinc/04/52/96/574045296.db2.gz JWQSYFQPIPOGKQ-ZJUUUORDSA-N 0 0 174.284 1.945 10 0 ADAERN CCC(C)(C)Oc1cc(N)nc(N)n1 87840386 574045298 /nfs/dbraw/zinc/04/52/98/574045298.db2.gz CULLRGOZDYLQON-UHFFFAOYSA-N 0 0 196.254 1.208 10 0 ADAERN CNc1cccc(-n2cccn2)n1 87839202 574045308 /nfs/dbraw/zinc/04/53/08/574045308.db2.gz JVCPPTBMQTVERL-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN CCCc1c(NCC)nc[nH]c1=O 87841793 574045315 /nfs/dbraw/zinc/04/53/15/574045315.db2.gz XVBLWKCTSPJFFP-UHFFFAOYSA-N 0 0 181.239 1.154 10 0 ADAERN CCC[C@H](O)[C@H](O)C(C)C 113138627 574045316 /nfs/dbraw/zinc/04/53/16/574045316.db2.gz IQYONWMXEQRXIO-JGVFFNPUSA-N 0 0 146.230 1.164 10 0 ADAERN Cc1ccc(-c2cc[nH]c(=O)c2)nc1 113109454 574045320 /nfs/dbraw/zinc/04/53/20/574045320.db2.gz UIEYSIUCGSJEDB-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1nc(N)c(C)c(OCC2CC2)n1 87841659 574045330 /nfs/dbraw/zinc/04/53/30/574045330.db2.gz ZVTPGRPKTMJUHY-UHFFFAOYSA-N 0 0 193.250 1.464 10 0 ADAERN CNc1ncnc(-n2ccnc2)c1C 87839379 574045333 /nfs/dbraw/zinc/04/53/33/574045333.db2.gz SMTYQBNPYNKKHX-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN Cc1cc(OC(C)(C)C)nc(N)n1 87840282 574045344 /nfs/dbraw/zinc/04/53/44/574045344.db2.gz FGLANNVVZHGRCP-UHFFFAOYSA-N 0 0 181.239 1.545 10 0 ADAERN CCCOc1nc(NC)ncc1F 87841900 574045345 /nfs/dbraw/zinc/04/53/45/574045345.db2.gz JTURMEDKJWOICX-UHFFFAOYSA-N 0 0 185.202 1.446 10 0 ADAERN Nc1cc(OC2CCCCC2)ncn1 87840667 574045346 /nfs/dbraw/zinc/04/53/46/574045346.db2.gz HPIDGEKTMLZQNV-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN CC[C@H](C)Oc1ncnc(N)c1C 87842135 574045352 /nfs/dbraw/zinc/04/53/52/574045352.db2.gz CGIGITMEUNSEBU-LURJTMIESA-N 0 0 181.239 1.545 10 0 ADAERN Cc1c(N)ncnc1OCC(C)C 87841210 574045354 /nfs/dbraw/zinc/04/53/54/574045354.db2.gz WTDGIFWBJVRXAA-UHFFFAOYSA-N 0 0 181.239 1.402 10 0 ADAERN O=c1nccc(NC2CCCC2)[nH]1 113108813 574045358 /nfs/dbraw/zinc/04/53/58/574045358.db2.gz YHOCJRUTUCQMDF-UHFFFAOYSA-N 0 0 179.223 1.124 10 0 ADAERN CC(C)COc1ccnc(N)n1 87841207 574045359 /nfs/dbraw/zinc/04/53/59/574045359.db2.gz RPCXQDIDIDWIND-UHFFFAOYSA-N 0 0 167.212 1.094 10 0 ADAERN CN[C@H](C[NH2+]C1CC1)c1cccs1 259298813 574045360 /nfs/dbraw/zinc/04/53/60/574045360.db2.gz IZBBOUJTNXBJKH-SECBINFHSA-N 0 0 196.319 1.761 10 0 ADAERN CCc1c(NC)ncnc1OC(C)C 87841287 574045366 /nfs/dbraw/zinc/04/53/66/574045366.db2.gz LJNPDBAEQSASAU-UHFFFAOYSA-N 0 0 195.266 1.868 10 0 ADAERN C=COCCCCCO 113146367 574045391 /nfs/dbraw/zinc/04/53/91/574045391.db2.gz BCTDCDYHRUIHSF-UHFFFAOYSA-N 0 0 130.187 1.309 10 0 ADAERN CNc1cccc(-n2ccc(C)n2)n1 87839818 574045393 /nfs/dbraw/zinc/04/53/93/574045393.db2.gz APXZOTWFASXBJN-UHFFFAOYSA-N 0 0 188.234 1.617 10 0 ADAERN Cc1cc(OC2CCCC2)nc(N)n1 87840625 574045401 /nfs/dbraw/zinc/04/54/01/574045401.db2.gz HZPDRYVDOMVXTJ-UHFFFAOYSA-N 0 0 193.250 1.689 10 0 ADAERN Nc1ncc(Cl)c(OCC2CC2)n1 87841694 574045409 /nfs/dbraw/zinc/04/54/09/574045409.db2.gz ZQVSTUHWNMBUOE-UHFFFAOYSA-N 0 0 199.641 1.501 10 0 ADAERN CCOc1ncnc(N)c1C(C)C 87840897 574045412 /nfs/dbraw/zinc/04/54/12/574045412.db2.gz JFFYYJQYTHQHAU-UHFFFAOYSA-N 0 0 181.239 1.581 10 0 ADAERN CCC(=O)[C@H](O)[C@H](C)CC 113144210 574045413 /nfs/dbraw/zinc/04/54/13/574045413.db2.gz NJPQNFCZIURGGR-HTRCEHHLSA-N 0 0 144.214 1.373 10 0 ADAERN CNC(=O)c1ccc(Cl)cc1C=O 113066975 574045415 /nfs/dbraw/zinc/04/54/15/574045415.db2.gz TXFKONRLNNGPNN-UHFFFAOYSA-N 0 0 197.621 1.512 10 0 ADAERN OCc1ccc(OC2CC2)cn1 113137553 574045419 /nfs/dbraw/zinc/04/54/19/574045419.db2.gz GUALNJZLZILJKI-UHFFFAOYSA-N 0 0 165.192 1.115 10 0 ADAERN Cc1cnc(N)nc1OC(C)(C)C 87840305 574045426 /nfs/dbraw/zinc/04/54/26/574045426.db2.gz BPIMFCSNEFLBKU-UHFFFAOYSA-N 0 0 181.239 1.545 10 0 ADAERN CC[C@@H](O)[C@H](O)CC(C)C 113142935 574045429 /nfs/dbraw/zinc/04/54/29/574045429.db2.gz FZDKHFNKZOXGAZ-HTQZYQBOSA-N 0 0 146.230 1.164 10 0 ADAERN Nc1cc(F)c2cccnc2c1 113154009 574045432 /nfs/dbraw/zinc/04/54/32/574045432.db2.gz PVESQCOHTZZXLR-UHFFFAOYSA-N 0 0 162.167 1.956 10 0 ADAERN CNc1ncnc(OCC2CC2)c1C 87841648 574045439 /nfs/dbraw/zinc/04/54/39/574045439.db2.gz XNNZLDILPRQDPE-UHFFFAOYSA-N 0 0 193.250 1.616 10 0 ADAERN CNc1cc(OCC(C)C)nc(N)n1 87841230 574045441 /nfs/dbraw/zinc/04/54/41/574045441.db2.gz UTOZJHUVCSYPHN-UHFFFAOYSA-N 0 0 196.254 1.135 10 0 ADAERN N#Cc1cnccc1N[C@@H]1CC[C@@H]2C[C@@H]21 393613937 574045442 /nfs/dbraw/zinc/04/54/42/574045442.db2.gz UJJKSIJJXBPGGC-UBHAPETDSA-N 0 0 199.257 1.586 10 0 ADAERN CC[C@H](O)[C@@H](O)CC(C)C 113142933 574045444 /nfs/dbraw/zinc/04/54/44/574045444.db2.gz FZDKHFNKZOXGAZ-YUMQZZPRSA-N 0 0 146.230 1.164 10 0 ADAERN CCC(C)(C)Oc1cc(N)ncn1 87840385 574045447 /nfs/dbraw/zinc/04/54/47/574045447.db2.gz GELCPEFZKKAZMY-UHFFFAOYSA-N 0 0 181.239 1.626 10 0 ADAERN CC(C)Oc1nc(N)cn2ccnc12 87841313 574045454 /nfs/dbraw/zinc/04/54/54/574045454.db2.gz ZTGQWGYFJSBRTG-UHFFFAOYSA-N 0 0 192.222 1.099 10 0 ADAERN CC[C@H](C)Oc1cncc(NC)n1 87842095 574045465 /nfs/dbraw/zinc/04/54/65/574045465.db2.gz DLDUITKRKYZJOR-ZETCQYMHSA-N 0 0 181.239 1.696 10 0 ADAERN CCc1c(NC)ncnc1OC 87840820 574045470 /nfs/dbraw/zinc/04/54/70/574045470.db2.gz HNLPYUUGWVGATL-UHFFFAOYSA-N 0 0 167.212 1.089 10 0 ADAERN CNc1ncnc(OC(C)C)c1C 87841274 574045484 /nfs/dbraw/zinc/04/54/84/574045484.db2.gz KFSDHDDROQQBBQ-UHFFFAOYSA-N 0 0 181.239 1.614 10 0 ADAERN CCc1cnc(N)c(OC)c1 113101681 574045487 /nfs/dbraw/zinc/04/54/87/574045487.db2.gz MUOVGWFULLKMES-UHFFFAOYSA-N 0 0 152.197 1.235 10 0 ADAERN CNc1cc(OC(C)(C)C)ncn1 87840313 574045493 /nfs/dbraw/zinc/04/54/93/574045493.db2.gz JHOLEHQUYNZANZ-UHFFFAOYSA-N 0 0 181.239 1.696 10 0 ADAERN CCC(C)(C)Oc1nc(N)ncc1F 87840412 574045497 /nfs/dbraw/zinc/04/54/97/574045497.db2.gz PNBBFLKXBZYZED-UHFFFAOYSA-N 0 0 199.229 1.765 10 0 ADAERN CNc1nccc(OC2CCCC2)n1 87840655 574045507 /nfs/dbraw/zinc/04/55/07/574045507.db2.gz ILLGSHGLDFFVIU-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CC(C)C[C@@H](O)[C@@H](O)C(C)C 113138502 574045511 /nfs/dbraw/zinc/04/55/11/574045511.db2.gz ULFHCPDDLYSOAM-BDAKNGLRSA-N 0 0 160.257 1.410 10 0 ADAERN O=c1[nH]ncc2c1C=C1C=CC=C[C@@H]1N2 238602158 574045517 /nfs/dbraw/zinc/04/55/17/574045517.db2.gz YUFSYESPQITUKR-VIFPVBQESA-N 0 0 199.213 1.073 10 0 ADAERN CC1(C)CCN(c2cc(N)ncn2)C1 87838726 574045549 /nfs/dbraw/zinc/04/55/49/574045549.db2.gz QWKLRCCCLFTRIR-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CCCc1c(N)ncnc1OC 87840798 574045559 /nfs/dbraw/zinc/04/55/59/574045559.db2.gz XJPVWCRDVPHMHB-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN CC(=O)c1ccc2c(n1)OCCO2 113133821 574045560 /nfs/dbraw/zinc/04/55/60/574045560.db2.gz ONVHROYVSWSUEC-UHFFFAOYSA-N 0 0 179.175 1.055 10 0 ADAERN CCCOc1cc(C)nc(NC)n1 87841898 574045561 /nfs/dbraw/zinc/04/55/61/574045561.db2.gz UKJFLHUTJRNBOC-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN CCCNc1nc[nH]c(=O)c1CC 87841845 574045562 /nfs/dbraw/zinc/04/55/62/574045562.db2.gz ONMPBPCUIGNELU-UHFFFAOYSA-N 0 0 181.239 1.154 10 0 ADAERN CC[C@H](O)[C@H](O)CC(C)C 113142936 574045572 /nfs/dbraw/zinc/04/55/72/574045572.db2.gz FZDKHFNKZOXGAZ-JGVFFNPUSA-N 0 0 146.230 1.164 10 0 ADAERN CC[C@@H](O)C(=O)CC(C)C 113144285 574045574 /nfs/dbraw/zinc/04/55/74/574045574.db2.gz KMGQYUDPZUFKMI-SSDOTTSWSA-N 0 0 144.214 1.373 10 0 ADAERN COC(=O)Cc1cc2ccoc2cn1 113134085 574045577 /nfs/dbraw/zinc/04/55/77/574045577.db2.gz ZRFCRACVKHYTGV-UHFFFAOYSA-N 0 0 191.186 1.543 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H](O)CC 113140393 574045578 /nfs/dbraw/zinc/04/55/78/574045578.db2.gz CKTLYOSMORMIIG-BIIVOSGPSA-N 0 0 146.230 1.164 10 0 ADAERN OCC/C=C(\F)[C@H](O)c1ccccc1 224148276 574045588 /nfs/dbraw/zinc/04/55/88/574045588.db2.gz VIWDCMXMUMKGNW-ZJRUKIMVSA-N 0 0 196.221 1.956 10 0 ADAERN CNc1ncc(C)c(-n2cccn2)n1 87839230 574045590 /nfs/dbraw/zinc/04/55/90/574045590.db2.gz JUFPAVOSBXVACG-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN Cc1c(N)ncnc1NCCC1CC1 87837027 574045593 /nfs/dbraw/zinc/04/55/93/574045593.db2.gz VYIZVLHNEPTTKB-UHFFFAOYSA-N 0 0 192.266 1.579 10 0 ADAERN CNc1nc(OC)c2ccccc2n1 87840786 574045597 /nfs/dbraw/zinc/04/55/97/574045597.db2.gz MREUVLYNYUBPQJ-UHFFFAOYSA-N 0 0 189.218 1.680 10 0 ADAERN Cc1ccc(O)c2c1NC(=O)CC2 113115712 574045602 /nfs/dbraw/zinc/04/56/02/574045602.db2.gz XRCGUPHEBFYJCV-UHFFFAOYSA-N 0 0 177.203 1.585 10 0 ADAERN S=NCCCn1ccnc1 113083077 574045607 /nfs/dbraw/zinc/04/56/07/574045607.db2.gz VIGCVYCUPULZKW-UHFFFAOYSA-N 0 0 155.226 1.004 10 0 ADAERN CNc1nc(C)cc(OCC2CC2)n1 87841651 574045612 /nfs/dbraw/zinc/04/56/12/574045612.db2.gz XUXVCEDVWOOMEO-UHFFFAOYSA-N 0 0 193.250 1.616 10 0 ADAERN CNc1nc(C)cc(-n2cccn2)n1 87839224 574045616 /nfs/dbraw/zinc/04/56/16/574045616.db2.gz WWYNBPQYMSIWBN-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CC[C@H](C)C(=O)[C@@H](O)CC 113143050 574045617 /nfs/dbraw/zinc/04/56/17/574045617.db2.gz RCDADBCCEYHOCT-BQBZGAKWSA-N 0 0 144.214 1.373 10 0 ADAERN COc1ccc(N[C@@H](C)O)cc1N 113111338 574045619 /nfs/dbraw/zinc/04/56/19/574045619.db2.gz HSNZYNRAXIPXGC-ZCFIWIBFSA-N 0 0 182.223 1.028 10 0 ADAERN CNc1ncnc(-n2cccn2)c1C 87839237 574045622 /nfs/dbraw/zinc/04/56/22/574045622.db2.gz HKEUUXDKUUGFCW-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CC(C)Oc1ncnc(N)c1C(C)C 87841309 574045631 /nfs/dbraw/zinc/04/56/31/574045631.db2.gz RLIOHFGLRBOKQM-UHFFFAOYSA-N 0 0 195.266 1.969 10 0 ADAERN CCOc1nc(NC)cn2ccnc12 87840849 574045633 /nfs/dbraw/zinc/04/56/33/574045633.db2.gz RFOPBKDOEYYMFZ-UHFFFAOYSA-N 0 0 192.222 1.170 10 0 ADAERN Cc1cnc(N)nc1OC1CCCC1 87840641 574045634 /nfs/dbraw/zinc/04/56/34/574045634.db2.gz XKHTZZLCOZANEF-UHFFFAOYSA-N 0 0 193.250 1.689 10 0 ADAERN C[C@H](CO)N1COc2ccccc2C1 113144364 574045635 /nfs/dbraw/zinc/04/56/35/574045635.db2.gz IYNNHJLZIPESIL-SECBINFHSA-N 0 0 193.246 1.219 10 0 ADAERN CCc1ccc(NC(C)=O)c(O)c1 113104486 574045648 /nfs/dbraw/zinc/04/56/48/574045648.db2.gz VMOLQIOZGGWMQK-UHFFFAOYSA-N 0 0 179.219 1.913 10 0 ADAERN CNc1cccc(OCC2CC2)n1 87841675 574045659 /nfs/dbraw/zinc/04/56/59/574045659.db2.gz SOTYNLOVNADQRL-UHFFFAOYSA-N 0 0 178.235 1.912 10 0 ADAERN CC(C)CCCOc1cc(N)ncn1 87840345 574045675 /nfs/dbraw/zinc/04/56/75/574045675.db2.gz IKVAKBSPQDJRRS-UHFFFAOYSA-N 0 0 195.266 1.874 10 0 ADAERN COc1nc(N)nc2ccccc12 87840811 574045677 /nfs/dbraw/zinc/04/56/77/574045677.db2.gz KIKFMZOCRQYMIZ-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN CC(C)(C)Oc1cc(N)ncn1 87840273 574045679 /nfs/dbraw/zinc/04/56/79/574045679.db2.gz WWATYDVPKUTHCQ-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN CNc1cc(-n2ccc(C)n2)ncn1 87839843 574045680 /nfs/dbraw/zinc/04/56/80/574045680.db2.gz DWWXLYSLQCYECK-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CNc1cncc(-n2ccnc2C)n1 87839444 574045682 /nfs/dbraw/zinc/04/56/82/574045682.db2.gz DFAMTTJUYKSXAK-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CNc1ccc(N=O)c(O)c1 113099409 574045690 /nfs/dbraw/zinc/04/56/90/574045690.db2.gz RZMGBZQCTSICTI-UHFFFAOYSA-N 0 0 152.153 1.832 10 0 ADAERN CCCOc1nc(NC)ncc1C 87841878 574045691 /nfs/dbraw/zinc/04/56/91/574045691.db2.gz HFUFHLGHJGKILN-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN CC(=O)c1ccc(OC2CC2)cn1 113140045 574045700 /nfs/dbraw/zinc/04/57/00/574045700.db2.gz VPMWWZGMVJKOJJ-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN CNc1ncnc(OC)c1C(C)C 87840821 574045705 /nfs/dbraw/zinc/04/57/05/574045705.db2.gz HEQIGRPJWFZCAH-UHFFFAOYSA-N 0 0 181.239 1.650 10 0 ADAERN CCC(C)(C)Oc1cc(C)nc(N)n1 87840393 574045706 /nfs/dbraw/zinc/04/57/06/574045706.db2.gz YGVIAHSSPGHSCJ-UHFFFAOYSA-N 0 0 195.266 1.935 10 0 ADAERN CCC(=O)[C@@H](O)[C@@H](C)CC 113144215 574045707 /nfs/dbraw/zinc/04/57/07/574045707.db2.gz NJPQNFCZIURGGR-XPUUQOCRSA-N 0 0 144.214 1.373 10 0 ADAERN CCNc1cc(OC(C)C)nc(N)n1 87841251 574045708 /nfs/dbraw/zinc/04/57/08/574045708.db2.gz BBIFUMWCTXUCPW-UHFFFAOYSA-N 0 0 196.254 1.278 10 0 ADAERN CNc1nc(C)nc(OC)c1C 87840826 574045713 /nfs/dbraw/zinc/04/57/13/574045713.db2.gz UVOHIOXFRDQNHD-UHFFFAOYSA-N 0 0 167.212 1.144 10 0 ADAERN C[C@@H](O)c1ccc(OC2CC2)cn1 113137582 574045714 /nfs/dbraw/zinc/04/57/14/574045714.db2.gz QQBNGXFHFLBZQW-SSDOTTSWSA-N 0 0 179.219 1.676 10 0 ADAERN CNc1ncc(C)c(OCC(C)C)n1 87841182 574045715 /nfs/dbraw/zinc/04/57/15/574045715.db2.gz GHVPVMHFRZMJTG-UHFFFAOYSA-N 0 0 195.266 1.862 10 0 ADAERN CNc1cc(O[C@H](C)C(C)C)ncn1 87849274 574046786 /nfs/dbraw/zinc/04/67/86/574046786.db2.gz ORYZDQJBALMOIP-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN CCNc1ncnc(OC)c1CC 87840831 574045725 /nfs/dbraw/zinc/04/57/25/574045725.db2.gz SYOGMRPYPMXTQL-UHFFFAOYSA-N 0 0 181.239 1.479 10 0 ADAERN CCNc1cn2ccnc2c(OC)n1 87840841 574045727 /nfs/dbraw/zinc/04/57/27/574045727.db2.gz UZNYBZGJUFOYIJ-UHFFFAOYSA-N 0 0 192.222 1.170 10 0 ADAERN CCNc1cc(OC)nc(SC)n1 87840829 574045728 /nfs/dbraw/zinc/04/57/28/574045728.db2.gz JMKZDVPZXYPUCG-UHFFFAOYSA-N 0 0 199.279 1.639 10 0 ADAERN Nc1ncc(F)c(OC2CCCC2)n1 87840644 574045735 /nfs/dbraw/zinc/04/57/35/574045735.db2.gz CVAHCYGXGRPVNJ-UHFFFAOYSA-N 0 0 197.213 1.519 10 0 ADAERN Nc1nccc(Nc2ccsc2)n1 87838265 574045819 /nfs/dbraw/zinc/04/58/19/574045819.db2.gz BOACQVNANPVYDF-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN CC[C@@H](C)Oc1cc(N)nc(C)n1 87842156 574046788 /nfs/dbraw/zinc/04/67/88/574046788.db2.gz LLSAWEXTTYVUJL-ZCFIWIBFSA-N 0 0 181.239 1.545 10 0 ADAERN CNc1ncc(C)c(-n2ccnc2)n1 87839371 574045744 /nfs/dbraw/zinc/04/57/44/574045744.db2.gz VHPOEXIJXRSHDQ-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CNc1cncc(OC2CCCC2)n1 87840613 574045746 /nfs/dbraw/zinc/04/57/46/574045746.db2.gz AINBAYHQUBBWIJ-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CC(C)Oc1ccc([C@@H](C)O)nc1 113138028 574045747 /nfs/dbraw/zinc/04/57/47/574045747.db2.gz NBNSGPOXCMVTJL-MRVPVSSYSA-N 0 0 181.235 1.922 10 0 ADAERN CC(C)(C)Oc1ccnc(N)n1 87840286 574045761 /nfs/dbraw/zinc/04/57/61/574045761.db2.gz ILKNRBNVVFFJOZ-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN CNc1cncc(OCC2CC2)n1 87841637 574045762 /nfs/dbraw/zinc/04/57/62/574045762.db2.gz IMRLSKVQWCTILW-UHFFFAOYSA-N 0 0 179.223 1.307 10 0 ADAERN CCNc1ncc(C)c(OC)n1 87840799 574045765 /nfs/dbraw/zinc/04/57/65/574045765.db2.gz HXELMCLXTPWMBD-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN Nc1nccc(OC2CCCC2)n1 87840628 574045777 /nfs/dbraw/zinc/04/57/77/574045777.db2.gz FNIJWHCOQRZMIO-UHFFFAOYSA-N 0 0 179.223 1.380 10 0 ADAERN CCC[C@@H](O)[C@@H](O)C(C)C 113138622 574045785 /nfs/dbraw/zinc/04/57/85/574045785.db2.gz IQYONWMXEQRXIO-SFYZADRCSA-N 0 0 146.230 1.164 10 0 ADAERN CNc1nc(C)nc(OC(C)C)c1C 87841295 574045786 /nfs/dbraw/zinc/04/57/86/574045786.db2.gz CTRMNZUIAOIKDV-UHFFFAOYSA-N 0 0 195.266 1.922 10 0 ADAERN CCCOc1ncnc(N)c1C 87841902 574045791 /nfs/dbraw/zinc/04/57/91/574045791.db2.gz NFBZWPRXEKENNU-UHFFFAOYSA-N 0 0 167.212 1.156 10 0 ADAERN CC[C@@H](C)Oc1ccnc(N)n1 87842126 574045792 /nfs/dbraw/zinc/04/57/92/574045792.db2.gz NFRQMWZAJNYWJN-ZCFIWIBFSA-N 0 0 167.212 1.236 10 0 ADAERN Cc1nc(N)cc(OCC2CC2)n1 87841669 574045793 /nfs/dbraw/zinc/04/57/93/574045793.db2.gz ISPMRIAMGBRYHR-UHFFFAOYSA-N 0 0 179.223 1.156 10 0 ADAERN CNc1nc(C)cc(OCC(C)C)n1 87841204 574045801 /nfs/dbraw/zinc/04/58/01/574045801.db2.gz NQJZTYWCCYDGMW-UHFFFAOYSA-N 0 0 195.266 1.862 10 0 ADAERN CC(C)C[C@H](O)[C@@H](O)C(C)C 113138503 574045802 /nfs/dbraw/zinc/04/58/02/574045802.db2.gz ULFHCPDDLYSOAM-IUCAKERBSA-N 0 0 160.257 1.410 10 0 ADAERN CCNc1nc[nH]c(=O)c1C(C)C 87841867 574045812 /nfs/dbraw/zinc/04/58/12/574045812.db2.gz FRZZOIGFICLDOT-UHFFFAOYSA-N 0 0 181.239 1.325 10 0 ADAERN CC[C@H](O)C(=O)[C@H](C)CC 113143049 574045815 /nfs/dbraw/zinc/04/58/15/574045815.db2.gz RCDADBCCEYHOCT-RQJHMYQMSA-N 0 0 144.214 1.373 10 0 ADAERN Cc1nc(N)c(C)c(OC(C)(C)C)n1 87840291 574045818 /nfs/dbraw/zinc/04/58/18/574045818.db2.gz BMHXBJNUBFOPJU-UHFFFAOYSA-N 0 0 195.266 1.853 10 0 ADAERN COc1ccc(N[C@H](C)O)cc1N 113111340 574045829 /nfs/dbraw/zinc/04/58/29/574045829.db2.gz HSNZYNRAXIPXGC-LURJTMIESA-N 0 0 182.223 1.028 10 0 ADAERN Cc1nc(N)c(C)c(OC(C)C)n1 87841280 574045835 /nfs/dbraw/zinc/04/58/35/574045835.db2.gz SRYHOXPNUFBNMC-UHFFFAOYSA-N 0 0 181.239 1.463 10 0 ADAERN CCOC(=O)c1nscc1C 224142191 574045844 /nfs/dbraw/zinc/04/58/44/574045844.db2.gz KIGVMOMUSXCBKK-UHFFFAOYSA-N 0 0 171.221 1.628 10 0 ADAERN Cc1cc(OCC(C)C)nc(N)n1 87841203 574045850 /nfs/dbraw/zinc/04/58/50/574045850.db2.gz GAPGUQKNUISCTE-UHFFFAOYSA-N 0 0 181.239 1.402 10 0 ADAERN S=C1CNN(S)S1 113143944 574045851 /nfs/dbraw/zinc/04/58/51/574045851.db2.gz VSFWPWFQAPMUED-UHFFFAOYSA-N 0 0 152.269 1.028 10 0 ADAERN CC(=O)c1cnc2c(c1)OCCO2 113137870 574045860 /nfs/dbraw/zinc/04/58/60/574045860.db2.gz CWNBNVWELAQWHJ-UHFFFAOYSA-N 0 0 179.175 1.055 10 0 ADAERN CCCOc1nc(N)ncc1Cl 87841928 574045861 /nfs/dbraw/zinc/04/58/61/574045861.db2.gz LMBLSOYPBQJWIG-UHFFFAOYSA-N 0 0 187.630 1.501 10 0 ADAERN O=Cc1cc(C[C@H]2CCCO2)on1 259300976 574045868 /nfs/dbraw/zinc/04/58/68/574045868.db2.gz QRPDZXOFMUWZPY-MRVPVSSYSA-N 0 0 181.191 1.209 10 0 ADAERN CCc1cc(CC)c(N)cc1N 113160940 574045872 /nfs/dbraw/zinc/04/58/72/574045872.db2.gz OAZIMFHUVDMOJD-UHFFFAOYSA-N 0 0 164.252 1.976 10 0 ADAERN CC(C)[C@H](C)Oc1cc(N)nc(N)n1 87849217 574046798 /nfs/dbraw/zinc/04/67/98/574046798.db2.gz QDUZESXJRYLRRO-LURJTMIESA-N 0 0 196.254 1.064 10 0 ADAERN CN[C@@H](C[NH2+]C1CC1)c1cccs1 259298815 574045894 /nfs/dbraw/zinc/04/58/94/574045894.db2.gz IZBBOUJTNXBJKH-VIFPVBQESA-N 0 0 196.319 1.761 10 0 ADAERN CCC(C)(C)Oc1ccnc(N)n1 87840396 574045895 /nfs/dbraw/zinc/04/58/95/574045895.db2.gz XFZGMGKYKNZFEJ-UHFFFAOYSA-N 0 0 181.239 1.626 10 0 ADAERN CNc1nccc(-n2cc(C)cn2)n1 87839495 574045909 /nfs/dbraw/zinc/04/59/09/574045909.db2.gz PHRJTEOIATWQOL-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CNc1nccc(-n2ccnc2C)n1 87839439 574045912 /nfs/dbraw/zinc/04/59/12/574045912.db2.gz NFWHXEGBDXMYAN-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CCC(C)(C)Oc1cc(N)nc(C)n1 87840407 574045926 /nfs/dbraw/zinc/04/59/26/574045926.db2.gz UYLNJBVFDXSZEZ-UHFFFAOYSA-N 0 0 195.266 1.935 10 0 ADAERN CCC[C@H](O)OCC 113141855 574045927 /nfs/dbraw/zinc/04/59/27/574045927.db2.gz HMNZROFMBSUMAB-ZCFIWIBFSA-N 0 0 118.176 1.141 10 0 ADAERN Nc1ncc(F)c(NCCC2CC2)n1 87836980 574045933 /nfs/dbraw/zinc/04/59/33/574045933.db2.gz CJQWGOUDKBGQIQ-UHFFFAOYSA-N 0 0 196.229 1.410 10 0 ADAERN CCNc1ncc(C)c(SC)n1 87850982 574046803 /nfs/dbraw/zinc/04/68/03/574046803.db2.gz QPLXDYNHRKNUBI-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN CCCOc1ccnc(NC)n1 87841929 574045941 /nfs/dbraw/zinc/04/59/41/574045941.db2.gz AOIOMQDWNKRHTK-UHFFFAOYSA-N 0 0 167.212 1.307 10 0 ADAERN CCNc1cccc(-n2cncn2)n1 87839250 574045942 /nfs/dbraw/zinc/04/59/42/574045942.db2.gz CBWWJPSYDAAVAR-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CC[C@H](C)C(=O)[C@@H](O)C(C)C 113139097 574045950 /nfs/dbraw/zinc/04/59/50/574045950.db2.gz BUWSXIKGUMIUED-YUMQZZPRSA-N 0 0 158.241 1.619 10 0 ADAERN CCC(=O)[C@@H](O)[C@H](C)CC 113144213 574045952 /nfs/dbraw/zinc/04/59/52/574045952.db2.gz NJPQNFCZIURGGR-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN CNc1ncc(C)c(OC(C)C)n1 87841257 574045953 /nfs/dbraw/zinc/04/59/53/574045953.db2.gz SSGGCYOEUMJYEE-UHFFFAOYSA-N 0 0 181.239 1.614 10 0 ADAERN Cc1nc(N)cc(OC(C)(C)C)n1 87840301 574045955 /nfs/dbraw/zinc/04/59/55/574045955.db2.gz QMZBNOWWMGJHES-UHFFFAOYSA-N 0 0 181.239 1.545 10 0 ADAERN CCOc1nc(N)nc2ccccc12 87840869 574045957 /nfs/dbraw/zinc/04/59/57/574045957.db2.gz HDCZFJMZLUWBTA-UHFFFAOYSA-N 0 0 189.218 1.611 10 0 ADAERN CNc1nccc(OC2CCC2)n1 87843030 574046806 /nfs/dbraw/zinc/04/68/06/574046806.db2.gz GVAYOBYABFATPC-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CC(C)Nc1ncccc1O 113137413 574045967 /nfs/dbraw/zinc/04/59/67/574045967.db2.gz HSNIWSAKBONCNC-UHFFFAOYSA-N 0 0 152.197 1.608 10 0 ADAERN CCOc1ncnc(NC)c1CC 87840880 574045968 /nfs/dbraw/zinc/04/59/68/574045968.db2.gz ZGZZBHLJOXVXSK-UHFFFAOYSA-N 0 0 181.239 1.479 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H](O)C(C)C 113139904 574045971 /nfs/dbraw/zinc/04/59/71/574045971.db2.gz VVFLJESJMWBGSK-XHNCKOQMSA-N 0 0 160.257 1.410 10 0 ADAERN Nc1cc(OCc2ccco2)ncn1 87840761 574045972 /nfs/dbraw/zinc/04/59/72/574045972.db2.gz STECOPBNYXBQEU-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN CNc1cc(-n2cccn2)nc(C)n1 87839198 574045973 /nfs/dbraw/zinc/04/59/73/574045973.db2.gz XVVGOOIETKLAOV-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CNc1cncc(-n2ccc(C)n2)n1 87839832 574045978 /nfs/dbraw/zinc/04/59/78/574045978.db2.gz AZULTBPHQLGYCA-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CCc1c(N)ncnc1OC(C)(C)C 87840279 574045984 /nfs/dbraw/zinc/04/59/84/574045984.db2.gz OYTMOWGPNIEFDK-UHFFFAOYSA-N 0 0 195.266 1.799 10 0 ADAERN CC(=O)c1cc2c(cn1)OCCO2 113136607 574045985 /nfs/dbraw/zinc/04/59/85/574045985.db2.gz MMFFFZBMOIDEOE-UHFFFAOYSA-N 0 0 179.175 1.055 10 0 ADAERN Cc1ccc2c(c1)CN(CCO)CO2 113144368 574045996 /nfs/dbraw/zinc/04/59/96/574045996.db2.gz KLQFMIBHVXOJRC-UHFFFAOYSA-N 0 0 193.246 1.139 10 0 ADAERN CCOc1nc(NC)ncc1F 87840868 574045997 /nfs/dbraw/zinc/04/59/97/574045997.db2.gz JYBUBUXBXVKIHX-UHFFFAOYSA-N 0 0 171.175 1.056 10 0 ADAERN CNc1cc(-n2cc(C)cn2)ncn1 87839511 574046004 /nfs/dbraw/zinc/04/60/04/574046004.db2.gz WKQPJTBNQGQSDE-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CNc1cncc(OC(C)C)n1 87841267 574046011 /nfs/dbraw/zinc/04/60/11/574046011.db2.gz NQNSQXLVQKFCTH-UHFFFAOYSA-N 0 0 167.212 1.306 10 0 ADAERN CCCNc1nc(C)[nH]c(=O)c1C 87841869 574046017 /nfs/dbraw/zinc/04/60/17/574046017.db2.gz ZRGLLJZZMPHIAX-UHFFFAOYSA-N 0 0 181.239 1.209 10 0 ADAERN CNc1ncnc(OCC(C)C)c1C 87841201 574046032 /nfs/dbraw/zinc/04/60/32/574046032.db2.gz VJKMGRYVDQJUNO-UHFFFAOYSA-N 0 0 195.266 1.862 10 0 ADAERN CNc1cc(OC2CCCC2)ncn1 87840647 574046035 /nfs/dbraw/zinc/04/60/35/574046035.db2.gz KQTGZHIJDCCSGB-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CNC(NC)c1ccc2c(c1)CCO2 259298823 574046039 /nfs/dbraw/zinc/04/60/39/574046039.db2.gz IZGCNFODDZZGGI-UHFFFAOYSA-N 0 0 192.262 1.059 10 0 ADAERN CC(C)[C@@H](C)Oc1ccnc(N)n1 87849236 574046808 /nfs/dbraw/zinc/04/68/08/574046808.db2.gz HVBRONLKHDYZAS-SSDOTTSWSA-N 0 0 181.239 1.482 10 0 ADAERN CNc1nccc(O[C@@H](C)C(C)C)n1 87849291 574047091 /nfs/dbraw/zinc/04/70/91/574047091.db2.gz TTWOSWRGHHLWRQ-QMMMGPOBSA-N 0 0 195.266 1.942 10 0 ADAERN CCCOc1ncnc(NC)c1C 87841896 574046043 /nfs/dbraw/zinc/04/60/43/574046043.db2.gz ZCVUMISVSSXMOI-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN CNc1cc(-n2ccnc2C)ncn1 87839455 574046045 /nfs/dbraw/zinc/04/60/45/574046045.db2.gz TULXDOOCEFULCJ-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CC[C@H](C)C(=O)[C@H](O)C(C)C 113139100 574046053 /nfs/dbraw/zinc/04/60/53/574046053.db2.gz BUWSXIKGUMIUED-JGVFFNPUSA-N 0 0 158.241 1.619 10 0 ADAERN CNc1cc(OC(C)(C)C)nc(N)n1 87840314 574046054 /nfs/dbraw/zinc/04/60/54/574046054.db2.gz NCWNINGOVRPNDS-UHFFFAOYSA-N 0 0 196.254 1.278 10 0 ADAERN Cc1nc(N)c(C)c(OCC(C)C)n1 87841211 574046066 /nfs/dbraw/zinc/04/60/66/574046066.db2.gz PRXOZOFYBLPFRI-UHFFFAOYSA-N 0 0 195.266 1.710 10 0 ADAERN CCSc1nc(N)ncc1F 87850004 574047094 /nfs/dbraw/zinc/04/70/94/574047094.db2.gz GJCGSTZJYYCRSW-UHFFFAOYSA-N 0 0 173.216 1.310 10 0 ADAERN CNc1ncc(F)c(OCC(C)C)n1 87841208 574046071 /nfs/dbraw/zinc/04/60/71/574046071.db2.gz IEDPNLHVJFAUQD-UHFFFAOYSA-N 0 0 199.229 1.692 10 0 ADAERN Cc1cnc(N)nc1OCC(C)C 87841222 574046073 /nfs/dbraw/zinc/04/60/73/574046073.db2.gz IGXBWCNZNSGCCC-UHFFFAOYSA-N 0 0 181.239 1.402 10 0 ADAERN CC[C@@H](C)Oc1cc(C)nc(N)n1 87842118 574046078 /nfs/dbraw/zinc/04/60/78/574046078.db2.gz JWLQPWHAMDJMLT-SSDOTTSWSA-N 0 0 181.239 1.545 10 0 ADAERN Cc1ccc(N[C@@H](C)O)cc1O 113111731 574046084 /nfs/dbraw/zinc/04/60/84/574046084.db2.gz MBHMKTFYXKXOSW-SSDOTTSWSA-N 0 0 167.208 1.451 10 0 ADAERN CCCOc1nc(N)cn2ccnc12 87841935 574046095 /nfs/dbraw/zinc/04/60/95/574046095.db2.gz HHJJMAOIVHVVFY-UHFFFAOYSA-N 0 0 192.222 1.100 10 0 ADAERN c1coc(-c2ncco2)n1 113128074 574046104 /nfs/dbraw/zinc/04/61/04/574046104.db2.gz ZMQPAJOWYXQIJO-UHFFFAOYSA-N 0 0 136.110 1.330 10 0 ADAERN CC(C)C[C@@H](O)[C@H](O)C(C)C 113138505 574046107 /nfs/dbraw/zinc/04/61/07/574046107.db2.gz ULFHCPDDLYSOAM-RKDXNWHRSA-N 0 0 160.257 1.410 10 0 ADAERN CCCOc1nc(C)nc(NC)c1C 87841917 574046112 /nfs/dbraw/zinc/04/61/12/574046112.db2.gz IESNUQMNVJCORY-UHFFFAOYSA-N 0 0 195.266 1.924 10 0 ADAERN CCNc1ncc(Cl)c(OC)n1 87840793 574046114 /nfs/dbraw/zinc/04/61/14/574046114.db2.gz UHKIHPZHGHMHIV-UHFFFAOYSA-N 0 0 187.630 1.570 10 0 ADAERN Cc1c(N)ncnc1OC1CCCC1 87840631 574046116 /nfs/dbraw/zinc/04/61/16/574046116.db2.gz YKZYJHWSGOVXSK-UHFFFAOYSA-N 0 0 193.250 1.689 10 0 ADAERN CNc1cncc(NCCC2CC2)n1 87837044 574046118 /nfs/dbraw/zinc/04/61/18/574046118.db2.gz OPRPAYKNKGXGKL-UHFFFAOYSA-N 0 0 192.266 1.730 10 0 ADAERN Cc1ccc(N[C@H](C)O)cc1O 113111734 574046121 /nfs/dbraw/zinc/04/61/21/574046121.db2.gz MBHMKTFYXKXOSW-ZETCQYMHSA-N 0 0 167.208 1.451 10 0 ADAERN CCCC[C@@H](O)C(C)=O 113138618 574046136 /nfs/dbraw/zinc/04/61/36/574046136.db2.gz CGEJGVJCYONJRA-SSDOTTSWSA-N 0 0 130.187 1.127 10 0 ADAERN C[C@@H](CO)N1COc2ccccc2C1 113144362 574046151 /nfs/dbraw/zinc/04/61/51/574046151.db2.gz IYNNHJLZIPESIL-VIFPVBQESA-N 0 0 193.246 1.219 10 0 ADAERN CNc1ncc(Cl)c(OC)n1 87840794 574046155 /nfs/dbraw/zinc/04/61/55/574046155.db2.gz UCSCPFBNTVSTEN-UHFFFAOYSA-N 0 0 173.603 1.180 10 0 ADAERN CNc1cc(OCC2CC2)ncn1 87841681 574046157 /nfs/dbraw/zinc/04/61/57/574046157.db2.gz BAYYZGNAIFTBBM-UHFFFAOYSA-N 0 0 179.223 1.307 10 0 ADAERN C[C@@]12CC[C@@H](C1)C(=O)CC2=O 113174213 574046168 /nfs/dbraw/zinc/04/61/68/574046168.db2.gz KPRRZGYKTXZGNF-IMTBSYHQSA-N 0 0 152.193 1.335 10 0 ADAERN CNc1ncc(C)c(SC)n1 87850998 574046813 /nfs/dbraw/zinc/04/68/13/574046813.db2.gz RVEOKVLJAWKLDE-UHFFFAOYSA-N 0 0 169.253 1.549 10 0 ADAERN CNc1cncc(OC(C)(C)C)n1 87840268 574046178 /nfs/dbraw/zinc/04/61/78/574046178.db2.gz LNYWKSXXVDBGFA-UHFFFAOYSA-N 0 0 181.239 1.696 10 0 ADAERN Nc1cc(Nc2ccsc2)ncn1 87838162 574046183 /nfs/dbraw/zinc/04/61/83/574046183.db2.gz KOVFTWLFYZJYGX-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN CNc1nc(C)cc(-n2ccnc2)n1 87839364 574046192 /nfs/dbraw/zinc/04/61/92/574046192.db2.gz MRAFKYSAZSNRIR-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN Cc1cnc(N)nc1OCC1CC1 87841673 574046204 /nfs/dbraw/zinc/04/62/04/574046204.db2.gz SZUMXTXPZCZEQM-UHFFFAOYSA-N 0 0 179.223 1.156 10 0 ADAERN CCNc1ncc(F)c(OC(C)C)n1 87841285 574046216 /nfs/dbraw/zinc/04/62/16/574046216.db2.gz HNYNVDPIBPFVFD-UHFFFAOYSA-N 0 0 199.229 1.835 10 0 ADAERN O=CN1CCNc2ccccc21 113110398 574046217 /nfs/dbraw/zinc/04/62/17/574046217.db2.gz IWVFDNZINCVDLP-UHFFFAOYSA-N 0 0 162.192 1.075 10 0 ADAERN CCCOc1nc(N)ncc1C 87841913 574046218 /nfs/dbraw/zinc/04/62/18/574046218.db2.gz ATWHJIIUXJUEGC-UHFFFAOYSA-N 0 0 167.212 1.156 10 0 ADAERN CCNc1cccc(-n2ccnc2)n1 87839324 574046227 /nfs/dbraw/zinc/04/62/27/574046227.db2.gz SGIUSQDVOBHSSX-UHFFFAOYSA-N 0 0 188.234 1.699 10 0 ADAERN CCC=CC=O 113116690 574046228 /nfs/dbraw/zinc/04/62/28/574046228.db2.gz ZJEQWUJYBZCXFH-MQQKCMAXSA-N 0 0 84.118 1.634 10 0 ADAERN Cc1c(N)ncnc1OC(C)(C)C 87840290 574046232 /nfs/dbraw/zinc/04/62/32/574046232.db2.gz WUUZKJABQOKPDG-UHFFFAOYSA-N 0 0 181.239 1.545 10 0 ADAERN CCOc1nc(N)ncc1Cl 87840893 574046234 /nfs/dbraw/zinc/04/62/34/574046234.db2.gz FMCOUBQYHYJSMO-UHFFFAOYSA-N 0 0 173.603 1.111 10 0 ADAERN Cc1ccc(-c2cc[nH]c(=O)c2)cn1 113109982 574046235 /nfs/dbraw/zinc/04/62/35/574046235.db2.gz HZJTYZAYDCHNPM-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CNc1nccc(-n2ccc(C)n2)n1 87839827 574046236 /nfs/dbraw/zinc/04/62/36/574046236.db2.gz BAFXYQYQWYWRGT-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CCCNc1nc[nH]c(=O)c1C(C)C 87841817 574046243 /nfs/dbraw/zinc/04/62/43/574046243.db2.gz MHFKRSRBVLKXDP-UHFFFAOYSA-N 0 0 195.266 1.715 10 0 ADAERN O=C1CCc2cnc3c(c21)CCO3 113173666 574046244 /nfs/dbraw/zinc/04/62/44/574046244.db2.gz VMBCRMNSBYTURB-UHFFFAOYSA-N 0 0 175.187 1.145 10 0 ADAERN CC[C@H](C)Oc1ccnc(N)n1 87842127 574046246 /nfs/dbraw/zinc/04/62/46/574046246.db2.gz NFRQMWZAJNYWJN-LURJTMIESA-N 0 0 167.212 1.236 10 0 ADAERN CCNc1cccc(-n2cccn2)n1 87839184 574046247 /nfs/dbraw/zinc/04/62/47/574046247.db2.gz ZNUUTIOEISMASO-UHFFFAOYSA-N 0 0 188.234 1.699 10 0 ADAERN CC(=O)Cc1ccccc1CO 113069654 574046252 /nfs/dbraw/zinc/04/62/52/574046252.db2.gz SUOQXJIOEQMJSS-UHFFFAOYSA-N 0 0 164.204 1.310 10 0 ADAERN Cc1cnc(N)nc1SC(C)C 87850916 574046821 /nfs/dbraw/zinc/04/68/21/574046821.db2.gz URGIOFOACAJUMI-UHFFFAOYSA-N 0 0 183.280 1.868 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H](O)C(C)C 113139907 574046258 /nfs/dbraw/zinc/04/62/58/574046258.db2.gz VVFLJESJMWBGSK-CIUDSAMLSA-N 0 0 160.257 1.410 10 0 ADAERN CCNc1ncc(F)c(OC)n1 87840816 574046261 /nfs/dbraw/zinc/04/62/61/574046261.db2.gz SLWZHZGOXJDLBI-UHFFFAOYSA-N 0 0 171.175 1.056 10 0 ADAERN CNc1cccc(-n2cc(C)cn2)n1 87839486 574046280 /nfs/dbraw/zinc/04/62/80/574046280.db2.gz QTKBMDKUMMAMDW-UHFFFAOYSA-N 0 0 188.234 1.617 10 0 ADAERN Cc1cnc(N)nc1NCCC1CC1 87837056 574046282 /nfs/dbraw/zinc/04/62/82/574046282.db2.gz DZSNWXGKKDIKAX-UHFFFAOYSA-N 0 0 192.266 1.579 10 0 ADAERN CCNc1nc(C)nc(OCC)c1C 87840900 574046300 /nfs/dbraw/zinc/04/63/00/574046300.db2.gz YZMNFZDFIJVXIR-UHFFFAOYSA-N 0 0 195.266 1.924 10 0 ADAERN CC(C)Oc1nc(N)ncc1Cl 87841307 574046304 /nfs/dbraw/zinc/04/63/04/574046304.db2.gz DLUNYWFGTNXKRT-UHFFFAOYSA-N 0 0 187.630 1.499 10 0 ADAERN CNc1cc(OC)nc(SC)n1 87840815 574046305 /nfs/dbraw/zinc/04/63/05/574046305.db2.gz MUZGPZSYPCQQTG-UHFFFAOYSA-N 0 0 185.252 1.249 10 0 ADAERN CC[C@@H](C)C(=O)[C@H](O)CC 113143052 574046310 /nfs/dbraw/zinc/04/63/10/574046310.db2.gz RCDADBCCEYHOCT-RNFRBKRXSA-N 0 0 144.214 1.373 10 0 ADAERN Cc1c(N)ncnc1OC(C)C 87841279 574046311 /nfs/dbraw/zinc/04/63/11/574046311.db2.gz SIDKJECQSDWKPB-UHFFFAOYSA-N 0 0 167.212 1.154 10 0 ADAERN C[C@]1(F)OC(=O)O[C@]1(C)F 113196802 574047100 /nfs/dbraw/zinc/04/71/00/574047100.db2.gz RMYFSKOGEWSTQR-WHFBIAKZSA-N 0 0 152.096 1.525 10 0 ADAERN CCC[C@@H](O)[C@H](O)C(C)C 113138625 574046312 /nfs/dbraw/zinc/04/63/12/574046312.db2.gz IQYONWMXEQRXIO-HTQZYQBOSA-N 0 0 146.230 1.164 10 0 ADAERN Cc1ccc(N([C@H](C)O)[C@@H](C)O)cc1 113069546 574046319 /nfs/dbraw/zinc/04/63/19/574046319.db2.gz UUBKLVXAIWUNOD-AOOOYVTPSA-N 0 0 195.262 1.478 10 0 ADAERN CCOc1ncnc(N)c1CC 87840865 574046320 /nfs/dbraw/zinc/04/63/20/574046320.db2.gz AJTAADVFDQIFSM-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN CC[C@H](O)C(=O)CC(C)C 113144287 574046321 /nfs/dbraw/zinc/04/63/21/574046321.db2.gz KMGQYUDPZUFKMI-ZETCQYMHSA-N 0 0 144.214 1.373 10 0 ADAERN CNc1ncc(F)c(OCC2CC2)n1 87841656 574046342 /nfs/dbraw/zinc/04/63/42/574046342.db2.gz DBVKZIPIMMAHDZ-UHFFFAOYSA-N 0 0 197.213 1.446 10 0 ADAERN C[C@H](O)c1ccc(OC2CC2)cn1 113137584 574046349 /nfs/dbraw/zinc/04/63/49/574046349.db2.gz QQBNGXFHFLBZQW-ZETCQYMHSA-N 0 0 179.219 1.676 10 0 ADAERN CC1(C)CCN(c2ccnc(N)n2)C1 87838754 574046360 /nfs/dbraw/zinc/04/63/60/574046360.db2.gz VHWMRHFHPOTBFU-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN O=Cc1cc(C[C@@H]2CCCO2)on1 259300991 574046361 /nfs/dbraw/zinc/04/63/61/574046361.db2.gz QRPDZXOFMUWZPY-QMMMGPOBSA-N 0 0 181.191 1.209 10 0 ADAERN S=C1Cc2ccccc2CN1 113093339 574046365 /nfs/dbraw/zinc/04/63/65/574046365.db2.gz XEWSSOYBTBEUPW-UHFFFAOYSA-N 0 0 163.245 1.660 10 0 ADAERN CCCNc1ncc(C)c(OC)n1 87840822 574046367 /nfs/dbraw/zinc/04/63/67/574046367.db2.gz NOVCATSTWHYZQG-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN CNc1cccc(OC(C)C)n1 87841291 574046371 /nfs/dbraw/zinc/04/63/71/574046371.db2.gz HODIIILMRPXXJH-UHFFFAOYSA-N 0 0 166.224 1.911 10 0 ADAERN CNc1ncc(F)c(OC(C)C)n1 87841277 574046372 /nfs/dbraw/zinc/04/63/72/574046372.db2.gz WLWGIWJKANWNBW-UHFFFAOYSA-N 0 0 185.202 1.445 10 0 ADAERN CCOc1nc(C)nc(NC)c1C 87840886 574046373 /nfs/dbraw/zinc/04/63/73/574046373.db2.gz SJUKEGYROHJWQW-UHFFFAOYSA-N 0 0 181.239 1.534 10 0 ADAERN CCCNc1nc(C)nc(OC)c1C 87840838 574046377 /nfs/dbraw/zinc/04/63/77/574046377.db2.gz YBMNBRRTFIHQEY-UHFFFAOYSA-N 0 0 195.266 1.924 10 0 ADAERN COc1ncnc(N)c1C(C)C 87840836 574046379 /nfs/dbraw/zinc/04/63/79/574046379.db2.gz HBTJFNNRVCPQIR-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN CC(C)(C)Oc1nc(N)ncc1F 87840308 574046388 /nfs/dbraw/zinc/04/63/88/574046388.db2.gz FAPHTIUGCIMTCE-UHFFFAOYSA-N 0 0 185.202 1.375 10 0 ADAERN CCc1c(N)ncnc1OC1CCC1 87842982 574046827 /nfs/dbraw/zinc/04/68/27/574046827.db2.gz OCERWSCSKGCOIH-UHFFFAOYSA-N 0 0 193.250 1.553 10 0 ADAERN c1cnc2cnsc2c1 113092082 574046404 /nfs/dbraw/zinc/04/64/04/574046404.db2.gz ZTAPFURKEMZRSQ-UHFFFAOYSA-N 0 0 136.179 1.691 10 0 ADAERN CNc1cc(OC(C)C)nc(C)n1 87841254 574046417 /nfs/dbraw/zinc/04/64/17/574046417.db2.gz QSIVCXDRDKOYBC-UHFFFAOYSA-N 0 0 181.239 1.614 10 0 ADAERN Cc1c(N)ncnc1OCC1CC1 87841658 574046419 /nfs/dbraw/zinc/04/64/19/574046419.db2.gz NPGHAHLQTPVDFU-UHFFFAOYSA-N 0 0 179.223 1.156 10 0 ADAERN CCc1c(N)ncnc1OC(C)C 87841273 574046422 /nfs/dbraw/zinc/04/64/22/574046422.db2.gz DLWIEKWDSGIEDR-UHFFFAOYSA-N 0 0 181.239 1.408 10 0 ADAERN O=C1CCc2ncc3c(c21)CCO3 113174165 574046423 /nfs/dbraw/zinc/04/64/23/574046423.db2.gz HIZVPXONIYIFLN-UHFFFAOYSA-N 0 0 175.187 1.145 10 0 ADAERN CC[C@H](C)Oc1cc(C)nc(N)n1 87842119 574046424 /nfs/dbraw/zinc/04/64/24/574046424.db2.gz JWLQPWHAMDJMLT-ZETCQYMHSA-N 0 0 181.239 1.545 10 0 ADAERN CC[C@@H](C)Oc1ncnc(N)c1C 87842134 574046428 /nfs/dbraw/zinc/04/64/28/574046428.db2.gz CGIGITMEUNSEBU-ZCFIWIBFSA-N 0 0 181.239 1.545 10 0 ADAERN CCSc1cc(C)nc(NC)n1 87849970 574046828 /nfs/dbraw/zinc/04/68/28/574046828.db2.gz CXWJAGWVNIUWCQ-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN CCC[C@H](O)[C@@H](O)C(C)C 113138624 574046437 /nfs/dbraw/zinc/04/64/37/574046437.db2.gz IQYONWMXEQRXIO-YUMQZZPRSA-N 0 0 146.230 1.164 10 0 ADAERN CCN1CCc2ccc(O)cc21 113108783 574046444 /nfs/dbraw/zinc/04/64/44/574046444.db2.gz XHJMPJBHQVTUIQ-UHFFFAOYSA-N 0 0 163.220 1.775 10 0 ADAERN CCC(C)(C)Oc1ncnc(N)c1C 87840399 574046446 /nfs/dbraw/zinc/04/64/46/574046446.db2.gz FZPDZMAWDNQUNI-UHFFFAOYSA-N 0 0 195.266 1.935 10 0 ADAERN CCOc1nc(NC)ncc1C 87840847 574046458 /nfs/dbraw/zinc/04/64/58/574046458.db2.gz OBBCWSDFVJFDNV-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN CCC(C)(C)Oc1nc(N)ncc1C 87840409 574046465 /nfs/dbraw/zinc/04/64/65/574046465.db2.gz DGFRCXCWZYGEMY-UHFFFAOYSA-N 0 0 195.266 1.935 10 0 ADAERN C[C@H](C[C@H]([NH3+])c1cccnc1)C(=O)[O-] 259299688 574046466 /nfs/dbraw/zinc/04/64/66/574046466.db2.gz KBOXUASQJCACMC-APPZFPTMSA-N 0 0 194.234 1.192 10 0 ADAERN CCNc1nccc(-n2ccnc2)n1 87839368 574046467 /nfs/dbraw/zinc/04/64/67/574046467.db2.gz NYCLRZABXXVGSH-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H](O)CC 113140397 574046469 /nfs/dbraw/zinc/04/64/69/574046469.db2.gz CKTLYOSMORMIIG-FXQIFTODSA-N 0 0 146.230 1.164 10 0 ADAERN CCCOc1cccc(NC)n1 87841914 574046473 /nfs/dbraw/zinc/04/64/73/574046473.db2.gz GTZXAIFJISGZBQ-UHFFFAOYSA-N 0 0 166.224 1.912 10 0 ADAERN CCC(=O)[C@H](O)CC(C)C 113139260 574046474 /nfs/dbraw/zinc/04/64/74/574046474.db2.gz LBFLPOANWIRFBH-MRVPVSSYSA-N 0 0 144.214 1.373 10 0 ADAERN CC[C@@H](C)Oc1cncc(NC)n1 87842094 574046480 /nfs/dbraw/zinc/04/64/80/574046480.db2.gz DLDUITKRKYZJOR-SSDOTTSWSA-N 0 0 181.239 1.696 10 0 ADAERN CCCOc1cncc(NC)n1 87841888 574046491 /nfs/dbraw/zinc/04/64/91/574046491.db2.gz NRXGBUHHSIIWEM-UHFFFAOYSA-N 0 0 167.212 1.307 10 0 ADAERN CCCNc1cc(=O)[nH]c(SC)n1 87841788 574046498 /nfs/dbraw/zinc/04/64/98/574046498.db2.gz YDCSREOAKCWDEN-UHFFFAOYSA-N 0 0 199.279 1.314 10 0 ADAERN CCCOc1nc(C)nc(N)c1C 87841903 574046501 /nfs/dbraw/zinc/04/65/01/574046501.db2.gz XZTDXYZGHWYVJC-UHFFFAOYSA-N 0 0 181.239 1.464 10 0 ADAERN Cc1ccc(N([C@@H](C)O)[C@@H](C)O)cc1 113069542 574046502 /nfs/dbraw/zinc/04/65/02/574046502.db2.gz UUBKLVXAIWUNOD-NXEZZACHSA-N 0 0 195.262 1.478 10 0 ADAERN C[C@@H](C[C@H]([NH3+])c1cccnc1)C(=O)[O-] 259299692 574046507 /nfs/dbraw/zinc/04/65/07/574046507.db2.gz KBOXUASQJCACMC-CBAPKCEASA-N 0 0 194.234 1.192 10 0 ADAERN CCNc1ncc(C)c(OCC)n1 87840856 574046508 /nfs/dbraw/zinc/04/65/08/574046508.db2.gz AQHWWJTVBLYSLQ-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN CC(C)(CO)c1ccc(F)nc1 113158692 574046511 /nfs/dbraw/zinc/04/65/11/574046511.db2.gz RQGDNKKPZKUEPY-UHFFFAOYSA-N 0 0 169.199 1.491 10 0 ADAERN CNc1cc(-n2ccnc2)nc(C)n1 87839338 574046513 /nfs/dbraw/zinc/04/65/13/574046513.db2.gz CIIDJHYYODBXLR-UHFFFAOYSA-N 0 0 189.222 1.012 10 0 ADAERN CCC[C@@H](O)OCC 113141853 574046514 /nfs/dbraw/zinc/04/65/14/574046514.db2.gz HMNZROFMBSUMAB-LURJTMIESA-N 0 0 118.176 1.141 10 0 ADAERN CC(C)Oc1ccc([C@H](C)O)nc1 113138031 574046516 /nfs/dbraw/zinc/04/65/16/574046516.db2.gz NBNSGPOXCMVTJL-QMMMGPOBSA-N 0 0 181.235 1.922 10 0 ADAERN CC1=C(c2ccccc2)C(=O)NC1=O 113109141 574046518 /nfs/dbraw/zinc/04/65/18/574046518.db2.gz NMXSDUSRXRNRLK-UHFFFAOYSA-N 0 0 187.198 1.117 10 0 ADAERN Cc1c(N)ncnc1O[C@@H](C)C(C)C 87849242 574046832 /nfs/dbraw/zinc/04/68/32/574046832.db2.gz YBEGRKAFZQRODH-QMMMGPOBSA-N 0 0 195.266 1.791 10 0 ADAERN CC(C)C[C@H](O)[C@H](O)C(C)C 113138507 574046524 /nfs/dbraw/zinc/04/65/24/574046524.db2.gz ULFHCPDDLYSOAM-DTWKUNHWSA-N 0 0 160.257 1.410 10 0 ADAERN CCCNc1nc(C)cc(OC)n1 87840803 574046527 /nfs/dbraw/zinc/04/65/27/574046527.db2.gz GZHMAXOGHYFVOU-UHFFFAOYSA-N 0 0 181.239 1.616 10 0 ADAERN NC(=O)/C=C/C=C/c1cccnc1 113076008 574046529 /nfs/dbraw/zinc/04/65/29/574046529.db2.gz LRQZEOUDFWPGNH-NKZTZDQQSA-N 0 0 174.203 1.136 10 0 ADAERN CC(C)c1cnc(N)c(F)c1 113079374 574046534 /nfs/dbraw/zinc/04/65/34/574046534.db2.gz LQRCTMNXUULOKZ-UHFFFAOYSA-N 0 0 154.188 1.926 10 0 ADAERN COc1ccc(SN)c(C)c1 259299949 574046539 /nfs/dbraw/zinc/04/65/39/574046539.db2.gz UIIGECYQIHUYCE-UHFFFAOYSA-N 0 0 169.249 1.969 10 0 ADAERN CC(=O)Nc1ccc(SCO)cc1 259299635 574046540 /nfs/dbraw/zinc/04/65/40/574046540.db2.gz UDIJDUCXOZRZGR-UHFFFAOYSA-N 0 0 197.259 1.687 10 0 ADAERN CCC(=O)[C@H](O)[C@@H](C)CC 113144212 574046541 /nfs/dbraw/zinc/04/65/41/574046541.db2.gz NJPQNFCZIURGGR-POYBYMJQSA-N 0 0 144.214 1.373 10 0 ADAERN CC[C@@H](C)C(=O)[C@@H](O)C(C)C 113139095 574046551 /nfs/dbraw/zinc/04/65/51/574046551.db2.gz BUWSXIKGUMIUED-SFYZADRCSA-N 0 0 158.241 1.619 10 0 ADAERN Nc1nc2ccccc2c2nccn12 113070813 574046557 /nfs/dbraw/zinc/04/65/57/574046557.db2.gz VRNQEIBRGYRAPD-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN Cc1ccc(N([C@H](C)O)[C@H](C)O)cc1 113069548 574046567 /nfs/dbraw/zinc/04/65/67/574046567.db2.gz UUBKLVXAIWUNOD-UWVGGRQHSA-N 0 0 195.262 1.478 10 0 ADAERN CCC(=O)[C@@H](O)CC(C)C 113139259 574046572 /nfs/dbraw/zinc/04/65/72/574046572.db2.gz LBFLPOANWIRFBH-QMMMGPOBSA-N 0 0 144.214 1.373 10 0 ADAERN C[C@H](C[C@@H]([NH3+])c1cccnc1)C(=O)[O-] 259299702 574046576 /nfs/dbraw/zinc/04/65/76/574046576.db2.gz KBOXUASQJCACMC-VXNVDRBHSA-N 0 0 194.234 1.192 10 0 ADAERN OCCCN1COc2ccccc2C1 113145444 574046583 /nfs/dbraw/zinc/04/65/83/574046583.db2.gz QQGUYNYQAPOZRM-UHFFFAOYSA-N 0 0 193.246 1.221 10 0 ADAERN CC(C)CC(=O)[C@@H](O)C(C)C 113139245 574046585 /nfs/dbraw/zinc/04/65/85/574046585.db2.gz QMXYLTMVXBNDBX-VIFPVBQESA-N 0 0 158.241 1.619 10 0 ADAERN CC(=O)c1c(O)cc(N(C)C)cc1O 113155659 574046594 /nfs/dbraw/zinc/04/65/94/574046594.db2.gz OLJFNNGEMHMECA-UHFFFAOYSA-N 0 0 195.218 1.366 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])c1cccnc1)C(=O)[O-] 259299697 574046616 /nfs/dbraw/zinc/04/66/16/574046616.db2.gz KBOXUASQJCACMC-IONNQARKSA-N 0 0 194.234 1.192 10 0 ADAERN COc1ccc(C)c2c1CCC(=O)N2 113120553 574046618 /nfs/dbraw/zinc/04/66/18/574046618.db2.gz UVHWYZCSNSRXCB-UHFFFAOYSA-N 0 0 191.230 1.888 10 0 ADAERN CNc1cc(F)cc(F)c1N 113141248 574046627 /nfs/dbraw/zinc/04/66/27/574046627.db2.gz CSWKYUZSHSQFQS-UHFFFAOYSA-N 0 0 158.151 1.589 10 0 ADAERN Cc1ccc(C=O)c2c1NC(=O)CC2 113114328 574046628 /nfs/dbraw/zinc/04/66/28/574046628.db2.gz LCEQLSXHTZUMLR-UHFFFAOYSA-N 0 0 189.214 1.692 10 0 ADAERN CC[C@@H](C)C(=O)[C@H](O)C(C)C 113139098 574046630 /nfs/dbraw/zinc/04/66/30/574046630.db2.gz BUWSXIKGUMIUED-HTQZYQBOSA-N 0 0 158.241 1.619 10 0 ADAERN CC[C@H](C)C(=O)[C@H](O)CC 113143054 574046636 /nfs/dbraw/zinc/04/66/36/574046636.db2.gz RCDADBCCEYHOCT-NKWVEPMBSA-N 0 0 144.214 1.373 10 0 ADAERN Nc1nc2c(ccc3cccnc32)[nH]1 113089818 574046640 /nfs/dbraw/zinc/04/66/40/574046640.db2.gz WSIZDLIFQIDDKA-UHFFFAOYSA-N 0 0 184.202 1.693 10 0 ADAERN C/C=C/COc1cc(NC)nc(N)n1 87842934 574046674 /nfs/dbraw/zinc/04/66/74/574046674.db2.gz WVMZEJQDGRTQPJ-ONEGZZNKSA-N 0 0 194.238 1.055 10 0 ADAERN CC[C@@H](C)Oc1nc(N)ncc1C 87842164 574046649 /nfs/dbraw/zinc/04/66/49/574046649.db2.gz PYOGAZLSGSQUBG-SSDOTTSWSA-N 0 0 181.239 1.545 10 0 ADAERN CC(C)[C@@H](C)Oc1cc(N)nc(N)n1 87849216 574046652 /nfs/dbraw/zinc/04/66/52/574046652.db2.gz QDUZESXJRYLRRO-ZCFIWIBFSA-N 0 0 196.254 1.064 10 0 ADAERN Cc1cnc(N)nc1O[C@@H](C)C(C)C 87849262 574046656 /nfs/dbraw/zinc/04/66/56/574046656.db2.gz SJKMIQRMDRJVRD-QMMMGPOBSA-N 0 0 195.266 1.791 10 0 ADAERN CCSc1nc(NC)ncc1C 87849955 574046657 /nfs/dbraw/zinc/04/66/57/574046657.db2.gz AZXFDXWEBWQBMQ-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN CCCSc1ccnc(N)n1 87850194 574046661 /nfs/dbraw/zinc/04/66/61/574046661.db2.gz QJUXQPXGGIBXOL-UHFFFAOYSA-N 0 0 169.253 1.561 10 0 ADAERN CSc1ncnc(N)c1C 87850995 574046665 /nfs/dbraw/zinc/04/66/65/574046665.db2.gz JHWDCEMYRHTUGT-UHFFFAOYSA-N 0 0 155.226 1.089 10 0 ADAERN CC(C)Sc1nc(N)ncc1F 87850912 574046669 /nfs/dbraw/zinc/04/66/69/574046669.db2.gz MKDJECLETBEYSJ-UHFFFAOYSA-N 0 0 187.243 1.698 10 0 ADAERN CCc1c(NC)ncnc1SC 87851007 574046679 /nfs/dbraw/zinc/04/66/79/574046679.db2.gz FLKGYGQFGKKQCA-UHFFFAOYSA-N 0 0 183.280 1.803 10 0 ADAERN CCSc1ncnc(N)c1C 87849952 574046681 /nfs/dbraw/zinc/04/66/81/574046681.db2.gz UKKQPUDQZGJGBW-UHFFFAOYSA-N 0 0 169.253 1.479 10 0 ADAERN CSc1nc(N)cn2ccnc12 87851029 574046687 /nfs/dbraw/zinc/04/66/87/574046687.db2.gz BYYJBXQNIRQDEW-UHFFFAOYSA-N 0 0 180.236 1.033 10 0 ADAERN C/C=C/COc1cc(N)nc(C)n1 87842921 574046689 /nfs/dbraw/zinc/04/66/89/574046689.db2.gz RHESYSAHBAUOGZ-ONEGZZNKSA-N 0 0 179.223 1.322 10 0 ADAERN CCSc1cc(NC)ncn1 87850001 574046697 /nfs/dbraw/zinc/04/66/97/574046697.db2.gz ILSWLLUYTOVSBT-UHFFFAOYSA-N 0 0 169.253 1.630 10 0 ADAERN Cc1nc(N)cc(O[C@H](C)C(C)C)n1 87849259 574046702 /nfs/dbraw/zinc/04/67/02/574046702.db2.gz HRKYEAKMERIZIM-SSDOTTSWSA-N 0 0 195.266 1.791 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]([NH+]2CC=CC2)C1 113215549 574046738 /nfs/dbraw/zinc/04/67/38/574046738.db2.gz NPMUWZAWXSCCCW-NXEZZACHSA-N 0 0 195.262 1.502 10 0 ADAERN CCCc1c(N)ncnc1SC 87850968 574046707 /nfs/dbraw/zinc/04/67/07/574046707.db2.gz CWIRIEGGCSBTJP-UHFFFAOYSA-N 0 0 183.280 1.733 10 0 ADAERN CNc1cccc(SC2COC2)n1 87852103 574046711 /nfs/dbraw/zinc/04/67/11/574046711.db2.gz TXBKTCPGLMHGDT-UHFFFAOYSA-N 0 0 196.275 1.614 10 0 ADAERN CC(C)(C)Sc1cc(N)ncn1 87850057 574046718 /nfs/dbraw/zinc/04/67/18/574046718.db2.gz QSEIQWZVOCCKLR-UHFFFAOYSA-N 0 0 183.280 1.949 10 0 ADAERN CC[C@H](C)Oc1cc(NC)ncn1 87842181 574046719 /nfs/dbraw/zinc/04/67/19/574046719.db2.gz GEUBILCRSIDRNQ-ZETCQYMHSA-N 0 0 181.239 1.696 10 0 ADAERN Cc1c(N)ncnc1O[C@H](C)C(C)C 87849243 574046721 /nfs/dbraw/zinc/04/67/21/574046721.db2.gz YBEGRKAFZQRODH-MRVPVSSYSA-N 0 0 195.266 1.791 10 0 ADAERN O=Cc1nc(C2CCOCC2)cs1 259301853 574046725 /nfs/dbraw/zinc/04/67/25/574046725.db2.gz QPZUAQVFWDXFLT-UHFFFAOYSA-N 0 0 197.259 1.850 10 0 ADAERN CNc1cc(SC)nc(C)n1 87850964 574046732 /nfs/dbraw/zinc/04/67/32/574046732.db2.gz ZGNFUQWCXQXNMM-UHFFFAOYSA-N 0 0 169.253 1.549 10 0 ADAERN CC(C)(C)c1ncnc2[nH]cnc12 113183517 574046742 /nfs/dbraw/zinc/04/67/42/574046742.db2.gz WYQISCAPPCJVFA-UHFFFAOYSA-N 0 0 176.223 1.650 10 0 ADAERN CC[C@H](C)Oc1nc(N)ncc1F 87842171 574046745 /nfs/dbraw/zinc/04/67/45/574046745.db2.gz CGLZGLVKIHKAAU-YFKPBYRVSA-N 0 0 185.202 1.375 10 0 ADAERN CC(C)[C@H](C)Oc1cc(N)ncn1 87849215 574046747 /nfs/dbraw/zinc/04/67/47/574046747.db2.gz UVJHAONOSOAMIZ-ZETCQYMHSA-N 0 0 181.239 1.482 10 0 ADAERN CNc1ncc(F)c(OC2CCC2)n1 87842991 574046748 /nfs/dbraw/zinc/04/67/48/574046748.db2.gz SFUPACPPXDOKPN-UHFFFAOYSA-N 0 0 197.213 1.589 10 0 ADAERN CC(C)(C)[C@H](C(=O)[O-])[NH+]1CC=CC1 113215581 574046749 /nfs/dbraw/zinc/04/67/49/574046749.db2.gz FQTANPXQAIZUAU-QMMMGPOBSA-N 0 0 183.251 1.358 10 0 ADAERN C/C=C/COc1nc(C)nc(N)c1C 87842911 574046835 /nfs/dbraw/zinc/04/68/35/574046835.db2.gz MXICZHYGJSBJQV-SNAWJCMRSA-N 0 0 193.250 1.631 10 0 ADAERN CCCSc1cc(N)nc(C)n1 87850173 574046839 /nfs/dbraw/zinc/04/68/39/574046839.db2.gz WVRIWJUOAUQIJI-UHFFFAOYSA-N 0 0 183.280 1.869 10 0 ADAERN CC(=O)NCCNc1ccc(C)cc1 113248099 574046883 /nfs/dbraw/zinc/04/68/83/574046883.db2.gz YNFDQFPUMHEAMG-UHFFFAOYSA-N 0 0 192.262 1.543 10 0 ADAERN CNc1nc(C)nc(SC)c1C 87851041 574046928 /nfs/dbraw/zinc/04/69/28/574046928.db2.gz FALDXUMXDYFOEG-UHFFFAOYSA-N 0 0 183.280 1.857 10 0 ADAERN CC(C)[C@@H](C)Oc1cc(N)ncn1 87849214 574046993 /nfs/dbraw/zinc/04/69/93/574046993.db2.gz UVJHAONOSOAMIZ-SSDOTTSWSA-N 0 0 181.239 1.482 10 0 ADAERN CSc1nc(N)ncc1Cl 87850983 574046995 /nfs/dbraw/zinc/04/69/95/574046995.db2.gz FDDDQJSVMQBCFM-UHFFFAOYSA-N 0 0 175.644 1.434 10 0 ADAERN Nc1cc(OCC2CCCC2)ncn1 87849092 574046996 /nfs/dbraw/zinc/04/69/96/574046996.db2.gz WZVAILLRLVOJMG-UHFFFAOYSA-N 0 0 193.250 1.628 10 0 ADAERN Cc1c(N)ncnc1OC1CCC1 87842993 574046999 /nfs/dbraw/zinc/04/69/99/574046999.db2.gz JHPPJTWFRFIJNS-UHFFFAOYSA-N 0 0 179.223 1.299 10 0 ADAERN CCCSc1nc(N)ncc1F 87850188 574047002 /nfs/dbraw/zinc/04/70/02/574047002.db2.gz ZZAZVYKYVLOSMU-UHFFFAOYSA-N 0 0 187.243 1.700 10 0 ADAERN CCSc1ncnc(NC)c1C 87850018 574047011 /nfs/dbraw/zinc/04/70/11/574047011.db2.gz VXQOLFLGEDOIGN-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[NH+]1CC=CC1 113215231 574047020 /nfs/dbraw/zinc/04/70/20/574047020.db2.gz DKYGCIIGNNBNGY-DTWKUNHWSA-N 0 0 183.251 1.358 10 0 ADAERN Clc1ncnnc1-c1ccc[nH]1 259300277 574047107 /nfs/dbraw/zinc/04/71/07/574047107.db2.gz SJPHOMGHQMUKSQ-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN C/C=C/COc1cc(NC)nc(C)n1 87842876 574047025 /nfs/dbraw/zinc/04/70/25/574047025.db2.gz FHBWSZPXQGJYPI-SNAWJCMRSA-N 0 0 193.250 1.782 10 0 ADAERN CNc1cc(SC(C)C)nc(N)n1 87850909 574047035 /nfs/dbraw/zinc/04/70/35/574047035.db2.gz KFSUSOHFHOFEHQ-UHFFFAOYSA-N 0 0 198.295 1.601 10 0 ADAERN CNc1ncc(Cl)c(SC)n1 87850999 574047038 /nfs/dbraw/zinc/04/70/38/574047038.db2.gz KBUOLWDHAXDDDM-UHFFFAOYSA-N 0 0 189.671 1.894 10 0 ADAERN Nc1nccc(OCC2CCCC2)n1 87849101 574047048 /nfs/dbraw/zinc/04/70/48/574047048.db2.gz YMRSBXAZCORZRS-UHFFFAOYSA-N 0 0 193.250 1.628 10 0 ADAERN O=C([O-])C1([NH+]2CC=CC2)CCCC1 113215446 574047055 /nfs/dbraw/zinc/04/70/55/574047055.db2.gz UCPFEJIIQHYRCG-UHFFFAOYSA-N 0 0 181.235 1.256 10 0 ADAERN CCSc1cc(N)nc(C)n1 87849990 574047056 /nfs/dbraw/zinc/04/70/56/574047056.db2.gz GDIUYLVMEVBUTK-UHFFFAOYSA-N 0 0 169.253 1.479 10 0 ADAERN CCNc1cc(SC)nc(C)n1 87851049 574047065 /nfs/dbraw/zinc/04/70/65/574047065.db2.gz MBEWNGNCMKLMBC-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN CC[C@@H](C)Sc1cc(N)ncn1 87849823 574047178 /nfs/dbraw/zinc/04/71/78/574047178.db2.gz NNSMUDQPRUHWLQ-ZCFIWIBFSA-N 0 0 183.280 1.949 10 0 ADAERN CC[C@@H](C)Oc1cc(NC)ncn1 87842180 574047179 /nfs/dbraw/zinc/04/71/79/574047179.db2.gz GEUBILCRSIDRNQ-SSDOTTSWSA-N 0 0 181.239 1.696 10 0 ADAERN O=C1NCc2ccccc2N1O 113238182 574047181 /nfs/dbraw/zinc/04/71/81/574047181.db2.gz OQORKSYURZOMAS-UHFFFAOYSA-N 0 0 164.164 1.105 10 0 ADAERN CCCCOCC=O 113206629 574047266 /nfs/dbraw/zinc/04/72/66/574047266.db2.gz PVJHTWVUDWZKFY-GQCTYLIASA-N 0 0 116.160 1.832 10 0 ADAERN CCSc1nc(NC)ncc1F 87849959 574047117 /nfs/dbraw/zinc/04/71/17/574047117.db2.gz VBZRNOFZXWHZOZ-UHFFFAOYSA-N 0 0 187.243 1.769 10 0 ADAERN Cc1cccc(-n2[nH]ccc2=O)c1 113226081 574047121 /nfs/dbraw/zinc/04/71/21/574047121.db2.gz IHSKGYWGZMYNPV-UHFFFAOYSA-N 0 0 174.203 1.718 10 0 ADAERN CC(=O)c1cnoc1C1CCOCC1 259300647 574047126 /nfs/dbraw/zinc/04/71/26/574047126.db2.gz QQQHPRZUUYOSAL-UHFFFAOYSA-N 0 0 195.218 1.771 10 0 ADAERN Cc1nc(N)cc(SC(C)C)n1 87850898 574047127 /nfs/dbraw/zinc/04/71/27/574047127.db2.gz WAVKQHCXBCACMY-UHFFFAOYSA-N 0 0 183.280 1.868 10 0 ADAERN CNc1nccc(SC2COC2)n1 87852109 574047131 /nfs/dbraw/zinc/04/71/31/574047131.db2.gz ZQSSCOBXTQITAS-UHFFFAOYSA-N 0 0 197.263 1.009 10 0 ADAERN OCCCc1c(O)cccc1Cl 113194178 574047132 /nfs/dbraw/zinc/04/71/32/574047132.db2.gz QPXCOKKCONRULV-UHFFFAOYSA-N 0 0 186.638 1.971 10 0 ADAERN CC[C@@H](C)Oc1nc(C)nc(N)c1C 87842136 574047134 /nfs/dbraw/zinc/04/71/34/574047134.db2.gz LWEPAGPVHOUEKU-ZCFIWIBFSA-N 0 0 195.266 1.853 10 0 ADAERN CC[C@@H](C)Oc1ccnc(NC)n1 87842208 574047346 /nfs/dbraw/zinc/04/73/46/574047346.db2.gz FEZBRCUDGBEEFM-SSDOTTSWSA-N 0 0 181.239 1.696 10 0 ADAERN CNc1ncc(F)c(SC)n1 87851003 574047182 /nfs/dbraw/zinc/04/71/82/574047182.db2.gz HGGKJVMQZBANKU-UHFFFAOYSA-N 0 0 173.216 1.379 10 0 ADAERN CNc1cc(OC2CCC2)nc(N)n1 87843017 574047147 /nfs/dbraw/zinc/04/71/47/574047147.db2.gz RMGKMCQCWLXQLY-UHFFFAOYSA-N 0 0 194.238 1.032 10 0 ADAERN CCNc1nccc(OC2CCC2)n1 87842957 574047150 /nfs/dbraw/zinc/04/71/50/574047150.db2.gz ZHIWZHDULVPQKH-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CCCSc1cc(NC)nc(N)n1 87850185 574047152 /nfs/dbraw/zinc/04/71/52/574047152.db2.gz AYINJOQLGMOVEM-UHFFFAOYSA-N 0 0 198.295 1.603 10 0 ADAERN CCSc1nc(N)ncc1Cl 87849941 574047161 /nfs/dbraw/zinc/04/71/61/574047161.db2.gz OWYYVGBXDLMXLR-UHFFFAOYSA-N 0 0 189.671 1.824 10 0 ADAERN CC(C)(C)Sc1ccnc(N)n1 87850097 574047169 /nfs/dbraw/zinc/04/71/69/574047169.db2.gz HMVWZCXCPCHJLY-UHFFFAOYSA-N 0 0 183.280 1.949 10 0 ADAERN CC(C)(O)C(=O)c1ccc(O)cc1 113182954 574047170 /nfs/dbraw/zinc/04/71/70/574047170.db2.gz XXOPZSXBGGOWNX-UHFFFAOYSA-N 0 0 180.203 1.346 10 0 ADAERN CCSc1cncc(NC)n1 87849969 574047193 /nfs/dbraw/zinc/04/71/93/574047193.db2.gz PMSYEZRXTBJBED-UHFFFAOYSA-N 0 0 169.253 1.630 10 0 ADAERN Cc1cnc(N)nc1O[C@H](C)C(C)C 87849263 574047204 /nfs/dbraw/zinc/04/72/04/574047204.db2.gz SJKMIQRMDRJVRD-MRVPVSSYSA-N 0 0 195.266 1.791 10 0 ADAERN CSc1cc(N)nc(C)n1 87851036 574047207 /nfs/dbraw/zinc/04/72/07/574047207.db2.gz IUEAWROBVACBCU-UHFFFAOYSA-N 0 0 155.226 1.089 10 0 ADAERN Nc1ccc2c(c1Cl)OCO2 113246423 574047209 /nfs/dbraw/zinc/04/72/09/574047209.db2.gz VAOKAKAXDYIACU-UHFFFAOYSA-N 0 0 171.583 1.651 10 0 ADAERN C/C=C/COc1cncc(NC)n1 87842888 574047210 /nfs/dbraw/zinc/04/72/10/574047210.db2.gz POEHORDRPSQSHL-ONEGZZNKSA-N 0 0 179.223 1.473 10 0 ADAERN C/C=C/COc1cc(C)nc(NC)n1 87842903 574047341 /nfs/dbraw/zinc/04/73/41/574047341.db2.gz OCFKQZDKYYPUFB-SNAWJCMRSA-N 0 0 193.250 1.782 10 0 ADAERN CCNc1ncnc(SC)c1C 87850967 574047215 /nfs/dbraw/zinc/04/72/15/574047215.db2.gz CTKJCYWJHQHNPQ-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN Cc1nc(N)c(C)c(OC2CCC2)n1 87842994 574047217 /nfs/dbraw/zinc/04/72/17/574047217.db2.gz QXCYFRPHBAOMRM-UHFFFAOYSA-N 0 0 193.250 1.607 10 0 ADAERN CCN(C)c1ccc2c(c1)CNC2=O 113234437 574047230 /nfs/dbraw/zinc/04/72/30/574047230.db2.gz SVHXZTIIZQAGOB-UHFFFAOYSA-N 0 0 190.246 1.386 10 0 ADAERN CSc1nc(N)nc2ccccc12 87851051 574047342 /nfs/dbraw/zinc/04/73/42/574047342.db2.gz IHHOYQWASAZNHP-UHFFFAOYSA-N 0 0 191.259 1.934 10 0 ADAERN CNc1cc(SC2COC2)ncn1 87852151 574047243 /nfs/dbraw/zinc/04/72/43/574047243.db2.gz VIRVBUBWTRNABU-UHFFFAOYSA-N 0 0 197.263 1.009 10 0 ADAERN C/C=C\[C@@H]1C[C@@H]1C(=O)OC 224212191 574047244 /nfs/dbraw/zinc/04/72/44/574047244.db2.gz UZGNSWUNYPYTTN-FKCQFORESA-N 0 0 140.182 1.372 10 0 ADAERN Cc1cc(O[C@H](C)C(C)C)nc(N)n1 87849231 574047248 /nfs/dbraw/zinc/04/72/48/574047248.db2.gz GWRWKCJYLJUUME-MRVPVSSYSA-N 0 0 195.266 1.791 10 0 ADAERN C/C=C/COc1nc(N)ncc1Cl 87842946 574047261 /nfs/dbraw/zinc/04/72/61/574047261.db2.gz FFXRIFDOFGSEBM-NSCUHMNNSA-N 0 0 199.641 1.667 10 0 ADAERN COc1cc(C=O)cc2c(C)noc12 259301435 574047262 /nfs/dbraw/zinc/04/72/62/574047262.db2.gz DPHYKWWXAQCWML-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN CCNOC(C)(C)C 113212407 574047269 /nfs/dbraw/zinc/04/72/69/574047269.db2.gz XEZHKAFGCDISLO-UHFFFAOYSA-N 0 0 117.192 1.326 10 0 ADAERN C/C=C/COc1cc(C)nc(N)n1 87842902 574047274 /nfs/dbraw/zinc/04/72/74/574047274.db2.gz ULKZFWBLPXOBDW-ONEGZZNKSA-N 0 0 179.223 1.322 10 0 ADAERN CC(C)Sc1cc(N)ncn1 87850872 574047276 /nfs/dbraw/zinc/04/72/76/574047276.db2.gz AOPJSYXNUCPBCI-UHFFFAOYSA-N 0 0 169.253 1.559 10 0 ADAERN CN1CCC(=O)Nc2c(O)cccc21 259301521 574047284 /nfs/dbraw/zinc/04/72/84/574047284.db2.gz QTKOGVJUDLXRPW-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN CC[C@H](C)Oc1nc(N)ncc1C 87842165 574047291 /nfs/dbraw/zinc/04/72/91/574047291.db2.gz PYOGAZLSGSQUBG-ZETCQYMHSA-N 0 0 181.239 1.545 10 0 ADAERN C/C=C/COc1nc(NC)ncc1F 87842908 574047293 /nfs/dbraw/zinc/04/72/93/574047293.db2.gz ODXAWECNHCPSEP-ONEGZZNKSA-N 0 0 197.213 1.612 10 0 ADAERN CNc1cncc(OC2CCC2)n1 87842971 574047297 /nfs/dbraw/zinc/04/72/97/574047297.db2.gz IYPITKPPHWSRDG-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CNc1cncc(O[C@@H](C)C(C)C)n1 87849207 574047302 /nfs/dbraw/zinc/04/73/02/574047302.db2.gz GHGLMCMDMKPPAM-QMMMGPOBSA-N 0 0 195.266 1.942 10 0 ADAERN CNc1cncc(SC)n1 87851014 574047305 /nfs/dbraw/zinc/04/73/05/574047305.db2.gz CBBRWOKNGSYLSD-UHFFFAOYSA-N 0 0 155.226 1.240 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H]([NH+]2CC=CC2)C1 113215551 574047312 /nfs/dbraw/zinc/04/73/12/574047312.db2.gz NPMUWZAWXSCCCW-UWVGGRQHSA-N 0 0 195.262 1.502 10 0 ADAERN CC[C@@H](C)Sc1ccnc(N)n1 87849903 574047313 /nfs/dbraw/zinc/04/73/13/574047313.db2.gz GIRNYWWHOWMOQU-ZCFIWIBFSA-N 0 0 183.280 1.949 10 0 ADAERN Nc1cc(Oc2cccnc2)ncn1 87842499 574047314 /nfs/dbraw/zinc/04/73/14/574047314.db2.gz KTZCBYWFCXPXJT-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN CC(C)[C@@H](C)Oc1nc(N)ncc1F 87849268 574047316 /nfs/dbraw/zinc/04/73/16/574047316.db2.gz ZRSKBZGFAKSBFH-ZCFIWIBFSA-N 0 0 199.229 1.621 10 0 ADAERN CCC/C=C/OCCO 113242906 574047319 /nfs/dbraw/zinc/04/73/19/574047319.db2.gz ZCOOWKHNQWSTCE-GQCTYLIASA-N 0 0 130.187 1.309 10 0 ADAERN C/C=C/COc1cc(N)ncn1 87842893 574047327 /nfs/dbraw/zinc/04/73/27/574047327.db2.gz GJBSBVYAUQIDSD-NSCUHMNNSA-N 0 0 165.196 1.014 10 0 ADAERN C/C=C/COc1ncnc(N)c1C 87842910 574047332 /nfs/dbraw/zinc/04/73/32/574047332.db2.gz NYVOYGFSHPUGKQ-ONEGZZNKSA-N 0 0 179.223 1.322 10 0 ADAERN CC[C@H](C)Oc1cc(NC)nc(N)n1 87842183 574047337 /nfs/dbraw/zinc/04/73/37/574047337.db2.gz RZRGXZSICNXTBH-LURJTMIESA-N 0 0 196.254 1.278 10 0 ADAERN CNc1ncnc(OC2CCC2)c1C 87842983 574047353 /nfs/dbraw/zinc/04/73/53/574047353.db2.gz KWXZKNLVFRZCDA-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN CCOC(=O)c1cc[nH]c1COC 113180154 574047359 /nfs/dbraw/zinc/04/73/59/574047359.db2.gz ZKPFNBJUJBWKID-UHFFFAOYSA-N 0 0 183.207 1.338 10 0 ADAERN COc1cc(O)ccc1N=O 113207236 574047364 /nfs/dbraw/zinc/04/73/64/574047364.db2.gz QCEMLNAQECGBOQ-UHFFFAOYSA-N 0 0 153.137 1.799 10 0 ADAERN CCCSc1cc(N)ncn1 87850147 574047365 /nfs/dbraw/zinc/04/73/65/574047365.db2.gz CGYCVCUZGHLXCL-UHFFFAOYSA-N 0 0 169.253 1.561 10 0 ADAERN C/C=C/COc1cc(NC)ncn1 87842933 574047366 /nfs/dbraw/zinc/04/73/66/574047366.db2.gz ZFYQZLLBVOSPTG-ONEGZZNKSA-N 0 0 179.223 1.473 10 0 ADAERN CNc1cc(OC2CCC2)nc(C)n1 87842959 574047369 /nfs/dbraw/zinc/04/73/69/574047369.db2.gz UZOMMTJZLAWIBL-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN CCCCCCC(O)O 113233803 574047370 /nfs/dbraw/zinc/04/73/70/574047370.db2.gz MHIBEGOZTWERHF-UHFFFAOYSA-N 0 0 132.203 1.268 10 0 ADAERN OCc1cnn2ccc3occc3c12 113182545 574047373 /nfs/dbraw/zinc/04/73/73/574047373.db2.gz KHTPPXVCZZCJFT-UHFFFAOYSA-N 0 0 188.186 1.573 10 0 ADAERN CCNc1cc(SC)ncn1 87850960 574047380 /nfs/dbraw/zinc/04/73/80/574047380.db2.gz CMDDGKMEMKUBNE-UHFFFAOYSA-N 0 0 169.253 1.630 10 0 ADAERN CCSc1cc(NC)nc(C)n1 87849920 574047383 /nfs/dbraw/zinc/04/73/83/574047383.db2.gz QGKLDDMKWRSLRU-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN C[NH2+][C@H](C1CCCC1)C(C)(C)C(=O)[O-] 259301756 574047387 /nfs/dbraw/zinc/04/73/87/574047387.db2.gz JCBSXHLCHLSKKQ-SECBINFHSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cc(O[C@@H](C)C(C)C)nc(N)n1 87849230 574047389 /nfs/dbraw/zinc/04/73/89/574047389.db2.gz GWRWKCJYLJUUME-QMMMGPOBSA-N 0 0 195.266 1.791 10 0 ADAERN O=C([O-])CC1([NH+]2CC=CC2)CCCC1 113215683 574047397 /nfs/dbraw/zinc/04/73/97/574047397.db2.gz ZLLUDQXGIGOCPA-UHFFFAOYSA-N 0 0 195.262 1.646 10 0 ADAERN CCNc1ncc(F)c(SC)n1 87851020 574047399 /nfs/dbraw/zinc/04/73/99/574047399.db2.gz HEQINVQJKWEIPW-UHFFFAOYSA-N 0 0 187.243 1.769 10 0 ADAERN Cc1nc(N)cc(O[C@@H](C)C(C)C)n1 87849258 574047425 /nfs/dbraw/zinc/04/74/25/574047425.db2.gz HRKYEAKMERIZIM-ZETCQYMHSA-N 0 0 195.266 1.791 10 0 ADAERN CCCCC[C@@H](CO)C(C)=O 1850311 574411535 /nfs/dbraw/zinc/41/15/35/574411535.db2.gz XLFYWCDNLLZTIW-VIFPVBQESA-N 0 0 158.241 1.764 10 0 endogenous,in-man ADAERN CCCCC[C@H](CO)C(C)=O 1850313 574411538 /nfs/dbraw/zinc/41/15/38/574411538.db2.gz XLFYWCDNLLZTIW-SECBINFHSA-N 0 0 158.241 1.764 10 0 endogenous,in-man ADAERN CC(C)[C@@H]1CC[C@H](C)[C@@H](O)[C@H]1O 6037729 574412711 /nfs/dbraw/zinc/41/27/11/574412711.db2.gz WQFGPARDTSBVLU-QEYWKRMJSA-N 0 0 172.268 1.410 10 0 endogenous,in-man ADAERN CC/C=C\CC(=O)OC 12153320 574412966 /nfs/dbraw/zinc/41/29/66/574412966.db2.gz XEAIHUDTEINXFG-PLNGDYQASA-N 0 0 128.171 1.516 10 0 endogenous,in-man ADAERN C/C(=C/CO)[C@@H]1CCC(C)(C)O1 14723364 574413618 /nfs/dbraw/zinc/41/36/18/574413618.db2.gz MCCVCDVTCCDPLO-RDOCRHDPSA-N 0 0 170.252 1.883 10 0 endogenous,in-man ADAERN C/C(=C/CO)[C@H]1CCC(C)(C)O1 14723366 574413634 /nfs/dbraw/zinc/41/36/34/574413634.db2.gz MCCVCDVTCCDPLO-BZJXQOFCSA-N 0 0 170.252 1.883 10 0 endogenous,in-man ADAERN C[C@@H]1COC(=O)[C@@H]2[C@@H](C)CC[C@@H]12 33830723 574414103 /nfs/dbraw/zinc/41/41/03/574414103.db2.gz LSRNBGXEEKNZHN-UYXSQOIJSA-N 0 0 168.236 1.842 10 0 endogenous,in-man ADAERN C[C@@H]1COC(=O)[C@H]2[C@H]1CC[C@H]2C 33830722 574414117 /nfs/dbraw/zinc/41/41/17/574414117.db2.gz LSRNBGXEEKNZHN-LURQLKTLSA-N 0 0 168.236 1.842 10 0 endogenous,in-man ADAERN C[C@@H]1COC(=O)[C@@H]2[C@H](C)CC[C@H]12 33830724 574414118 /nfs/dbraw/zinc/41/41/18/574414118.db2.gz LSRNBGXEEKNZHN-FNCVBFRFSA-N 0 0 168.236 1.842 10 0 endogenous,in-man ADAERN C[C@@H]1COC(=O)[C@@H]2[C@@H](C)CC[C@H]12 33830725 574414119 /nfs/dbraw/zinc/41/41/19/574414119.db2.gz LSRNBGXEEKNZHN-JQCXWYLXSA-N 0 0 168.236 1.842 10 0 endogenous,in-man ADAERN C[C@@H]1C(=O)O[C@@H]2C[C@H](C)CC[C@@H]12 34276228 574414239 /nfs/dbraw/zinc/41/42/39/574414239.db2.gz FGDINYRLQOKVQS-RYPBNFRJSA-N 0 0 168.236 1.984 10 0 endogenous,in-man ADAERN C[C@@H]1CC[C@@H]2[C@@H](C1)OC(=O)[C@@H]2C 38350357 574414372 /nfs/dbraw/zinc/41/43/72/574414372.db2.gz FGDINYRLQOKVQS-LURQLKTLSA-N 0 0 168.236 1.984 10 0 endogenous,in-man ADAERN Cc1c[nH+]c(C)n1Cc1ccccn1 8507 575189443 /nfs/dbraw/zinc/18/94/43/575189443.db2.gz XOQUQWCSLXXSEP-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN CC1(C)CC(=O)N1[C@H]1CCSC1 687829011 575188950 /nfs/dbraw/zinc/18/89/50/575188950.db2.gz BMAUVYGLWANMON-ZETCQYMHSA-N 0 0 185.292 1.503 10 0 ADAERN C[C@@H]1CCC[C@](C[NH3+])(CC(=O)[O-])C1 6982 575188963 /nfs/dbraw/zinc/18/89/63/575188963.db2.gz UOPIILYKLVDKTK-PSASIEDQSA-N 0 0 185.267 1.616 10 0 ADAERN C1C[C@@H](N2CCSC2)CS1 687828874 575189063 /nfs/dbraw/zinc/18/90/63/575189063.db2.gz MMSYFLVACYWEIW-SSDOTTSWSA-N 0 0 175.322 1.498 10 0 ADAERN COc1cc2c(cc1F)NCC[NH2+]C2 138730525 575189070 /nfs/dbraw/zinc/18/90/70/575189070.db2.gz IGGDVYNPLZGEPR-UHFFFAOYSA-N 0 0 196.225 1.349 10 0 ADAERN CN(c1ccnn1C)[C@H]1CCSC1 687829077 575189096 /nfs/dbraw/zinc/18/90/96/575189096.db2.gz CRNWHWWUORCVDV-QMMMGPOBSA-N 0 0 197.307 1.362 10 0 ADAERN C1C[C@H](N2CCSC2)CS1 687828875 575189124 /nfs/dbraw/zinc/18/91/24/575189124.db2.gz MMSYFLVACYWEIW-ZETCQYMHSA-N 0 0 175.322 1.498 10 0 ADAERN O=C1CC2(CCC2)N1[C@H]1CCSC1 687829087 575189148 /nfs/dbraw/zinc/18/91/48/575189148.db2.gz KPOPLJXCIBNHGO-QMMMGPOBSA-N 0 0 197.303 1.647 10 0 ADAERN C1CSCN([C@H]2CCSC2)C1 687828844 575189176 /nfs/dbraw/zinc/18/91/76/575189176.db2.gz CLZKDQAISXRTGA-QMMMGPOBSA-N 0 0 189.349 1.888 10 0 ADAERN CNC(=O)N1C=CC(C)(C)C=C1 3682 575189234 /nfs/dbraw/zinc/18/92/34/575189234.db2.gz LMBZRSPNRJCYRU-UHFFFAOYSA-N 0 0 166.224 1.695 10 0 ADAERN CCNc1ncc(Cl)n2ccnc12 2757 575189259 /nfs/dbraw/zinc/18/92/59/575189259.db2.gz FRMQAEUHXFUHCU-UHFFFAOYSA-N 0 0 196.641 1.815 10 0 ADAERN O=C1[C@@H]2CCC[C@@H]2N1[C@H]1CCSC1 687829093 575189279 /nfs/dbraw/zinc/18/92/79/575189279.db2.gz SYUKFPWPDIZJMG-YIZRAAEISA-N 0 0 197.303 1.503 10 0 ADAERN Cc1ccccc(O)c1=O 2747 575189290 /nfs/dbraw/zinc/18/92/90/575189290.db2.gz WQCFNSJTIWJUMV-UHFFFAOYSA-N 0 0 136.150 1.061 10 0 ADAERN C1CSCN([C@@H]2CCSC2)C1 687828843 575189295 /nfs/dbraw/zinc/18/92/95/575189295.db2.gz CLZKDQAISXRTGA-MRVPVSSYSA-N 0 0 189.349 1.888 10 0 ADAERN S=c1[nH]ccn1Cc1ncc[nH]1 12186 575189310 /nfs/dbraw/zinc/18/93/10/575189310.db2.gz AJZPTUATETWDSM-UHFFFAOYSA-N 0 0 180.236 1.317 10 0 ADAERN O=C1[C@@H]2CCC[C@@H]2N1[C@@H]1CCSC1 687829091 575189317 /nfs/dbraw/zinc/18/93/17/575189317.db2.gz SYUKFPWPDIZJMG-HLTSFMKQSA-N 0 0 197.303 1.503 10 0 ADAERN CN(O)C(=O)NCc1cccs1 12841 575189325 /nfs/dbraw/zinc/18/93/25/575189325.db2.gz CWBOKHBIYURKEO-UHFFFAOYSA-N 0 0 186.236 1.279 10 0 ADAERN O=C1CC2(CCC2)N1[C@@H]1CCSC1 687829086 575189327 /nfs/dbraw/zinc/18/93/27/575189327.db2.gz KPOPLJXCIBNHGO-MRVPVSSYSA-N 0 0 197.303 1.647 10 0 ADAERN O=C1[C@@H]2CCC[C@H]2N1[C@@H]1CCSC1 687829092 575189337 /nfs/dbraw/zinc/18/93/37/575189337.db2.gz SYUKFPWPDIZJMG-IWSPIJDZSA-N 0 0 197.303 1.503 10 0 ADAERN O=C1[C@@H]2CCC[C@H]2N1[C@H]1CCSC1 687829090 575189374 /nfs/dbraw/zinc/18/93/74/575189374.db2.gz SYUKFPWPDIZJMG-DJLDLDEBSA-N 0 0 197.303 1.503 10 0 ADAERN CC1(C)CC(=O)N1[C@@H]1CCSC1 687829010 575189388 /nfs/dbraw/zinc/18/93/88/575189388.db2.gz BMAUVYGLWANMON-SSDOTTSWSA-N 0 0 185.292 1.503 10 0 ADAERN c1cnn(Nc2cc[nH+]cc2)c1 10545 575189405 /nfs/dbraw/zinc/18/94/05/575189405.db2.gz ONPHFSHREYBRTA-UHFFFAOYSA-N 0 0 160.180 1.153 10 0 ADAERN CN(c1ccnn1C)[C@@H]1CCSC1 687829076 575189427 /nfs/dbraw/zinc/18/94/27/575189427.db2.gz CRNWHWWUORCVDV-MRVPVSSYSA-N 0 0 197.307 1.362 10 0 ADAERN C[C@@H]1C(=O)Nc2cc3n[nH]nc3cc21 2426 575189459 /nfs/dbraw/zinc/18/94/59/575189459.db2.gz XTNWHLJQZNGIJE-BYPYZUCNSA-N 0 0 188.190 1.014 10 0 ADAERN CN(O)C(=O)NCc1ccsc1 12843 575189521 /nfs/dbraw/zinc/18/95/21/575189521.db2.gz BVYZVTBFHPHJJY-UHFFFAOYSA-N 0 0 186.236 1.279 10 0 ADAERN S=c1[nH]ccn1Cc1ccc[nH]1 4560 575189549 /nfs/dbraw/zinc/18/95/49/575189549.db2.gz QUBZMBJFGHUHRG-UHFFFAOYSA-N 0 0 179.248 1.922 10 0 ADAERN C[C@H]1C[C@H](Nc2nnn[n-]2)CC[C@H]1C 693699332 1450025347 /nfs/dbraw/zinc/02/53/47/1450025347.db2.gz PNJMCWWZMKYACY-GJMOJQLCSA-N 0 0 195.270 1.436 10 0 ADAERN C[C@@H]1CCCC[C@H]1N(C)c1nnn[n-]1 693694784 1450245769 /nfs/dbraw/zinc/24/57/69/1450245769.db2.gz DLXNNUZQEOHLJN-HTQZYQBOSA-N 0 0 195.270 1.215 10 0 ADAERN CCCC[C@H](C)[NH2+][C@H](C)c1nnn[n-]1 44926060 1450304717 /nfs/dbraw/zinc/30/47/17/1450304717.db2.gz QMHCOMFOXLFHMC-JGVFFNPUSA-N 0 0 197.286 1.429 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@H]([NH3+])c2nnn[n-]2)C1 84345328 1450308011 /nfs/dbraw/zinc/30/80/11/1450308011.db2.gz SZNHVKUSJKRSQA-PRJMDXOYSA-N 0 0 195.270 1.026 10 0 ADAERN CC(C)CCC[NH2+][C@@H](C)c1nnn[n-]1 95139750 1450308378 /nfs/dbraw/zinc/30/83/78/1450308378.db2.gz PAVUFHOPIHCUQH-QMMMGPOBSA-N 0 0 197.286 1.287 10 0 ADAERN CC[C@@H]([NH2+][C@H](C)c1nnn[n-]1)C(C)C 44926068 1450460177 /nfs/dbraw/zinc/46/01/77/1450460177.db2.gz HQBIEOFRMKKDLJ-HTQZYQBOSA-N 0 0 197.286 1.285 10 0 ADAERN C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1nnn[n-]1 70643764 1450460453 /nfs/dbraw/zinc/46/04/53/1450460453.db2.gz COFVQTKRIPWZEA-CSMHCCOUSA-N 0 0 195.270 1.039 10 0 ADAERN CCCCCC(=O)NCC 1674314 486708077 /nfs/dbraw/zinc/70/80/77/486708077.db2.gz BZWNNMQUYVVGJM-UHFFFAOYSA-N 0 0 143.230 1.703 10 0 ADAERN CC(=O)OCCCCCCCCO 1696781 486708301 /nfs/dbraw/zinc/70/83/01/486708301.db2.gz YXXBWDUFNZATIK-UHFFFAOYSA-N 0 0 188.267 1.882 10 0 ADAERN CC[C@H](C)C(=O)NCCCOC 5665143 486709572 /nfs/dbraw/zinc/70/95/72/486709572.db2.gz BCIBRHKRPLQDKR-QMMMGPOBSA-N 0 0 173.256 1.185 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1N=O 5735703 486709825 /nfs/dbraw/zinc/70/98/25/486709825.db2.gz MDOIIQGEWWYGKD-RNFRBKRXSA-N 0 0 142.202 1.931 10 0 ADAERN Cc1cnc(C)c(NN=O)n1 6523504 486710681 /nfs/dbraw/zinc/71/06/81/486710681.db2.gz XDBINGRSZYOZIW-UHFFFAOYSA-N 0 0 152.157 1.187 10 0 ADAERN CCC(C)(C)[C@@H](C)NC(C)=O 17711245 486711555 /nfs/dbraw/zinc/71/15/55/486711555.db2.gz QLHLVCGBEVIICV-SSDOTTSWSA-N 0 0 157.257 1.947 10 0 ADAERN CC(C)(CC(F)(F)F)C(N)=O 17404631 486711576 /nfs/dbraw/zinc/71/15/76/486711576.db2.gz MKQIYWROMLXNTA-UHFFFAOYSA-N 0 0 169.146 1.450 10 0 ADAERN CC(=O)NC(C)(C)C(C)(F)F 17414760 486711693 /nfs/dbraw/zinc/71/16/93/486711693.db2.gz BCTCZARCPNLLLF-UHFFFAOYSA-N 0 0 165.183 1.556 10 0 ADAERN CCC(C)(C)[C@@H](C)NC(N)=O 17711294 486711917 /nfs/dbraw/zinc/71/19/17/486711917.db2.gz XREXQZCHJQRIGP-ZCFIWIBFSA-N 0 0 158.245 1.479 10 0 ADAERN CC(=O)NC(C)(C)C(C)(C)C 17414731 486711965 /nfs/dbraw/zinc/71/19/65/486711965.db2.gz WGYGGAUMXDJPRA-UHFFFAOYSA-N 0 0 157.257 1.947 10 0 ADAERN CCC(C)(C)[C@H](C)NC(N)=O 17711297 486711979 /nfs/dbraw/zinc/71/19/79/486711979.db2.gz XREXQZCHJQRIGP-LURJTMIESA-N 0 0 158.245 1.479 10 0 ADAERN CC(C)(C)C(C)(C)NC(N)=O 17414735 486712057 /nfs/dbraw/zinc/71/20/57/486712057.db2.gz KYEOAZZOVHHWFO-UHFFFAOYSA-N 0 0 158.245 1.479 10 0 ADAERN CCC(C)(C)[C@H](C)NC(C)=O 17711248 486712108 /nfs/dbraw/zinc/71/21/08/486712108.db2.gz QLHLVCGBEVIICV-ZETCQYMHSA-N 0 0 157.257 1.947 10 0 ADAERN CC1=CC[C@](C)(C(N)=O)CC1 33864584 486715310 /nfs/dbraw/zinc/71/53/10/486715310.db2.gz UFRHTADWHNZOHK-VIFPVBQESA-N 0 0 153.225 1.608 10 0 ADAERN CC1=CC[C@@](C)(C(N)=O)CC1 33864583 486715421 /nfs/dbraw/zinc/71/54/21/486715421.db2.gz UFRHTADWHNZOHK-SECBINFHSA-N 0 0 153.225 1.608 10 0 ADAERN Cc1cc(C)cc(OCCC(N)=O)c1 33432853 486715584 /nfs/dbraw/zinc/71/55/84/486715584.db2.gz HOYSJHVRJOHGKV-UHFFFAOYSA-N 0 0 193.246 1.558 10 0 ADAERN CC(C)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-] 36787649 486717957 /nfs/dbraw/zinc/71/79/57/486717957.db2.gz WYWLGWHCQIWODO-RKDXNWHRSA-N 0 0 187.283 1.683 10 0 ADAERN CC(C)[C@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-] 36787650 486718536 /nfs/dbraw/zinc/71/85/36/486718536.db2.gz WYWLGWHCQIWODO-BDAKNGLRSA-N 0 0 187.283 1.683 10 0 ADAERN CC1=C2CCCN2C(=O)CC1 39080244 486722714 /nfs/dbraw/zinc/72/27/14/486722714.db2.gz WYJYUPXWKNYUJC-UHFFFAOYSA-N 0 0 151.209 1.677 10 0 ADAERN CN(C)c1ccc(N)cc1O 39080272 486722820 /nfs/dbraw/zinc/72/28/20/486722820.db2.gz FIJPKKDKIRJQKQ-UHFFFAOYSA-N 0 0 152.197 1.040 10 0 ADAERN S=c1[nH]ccn2cncc12 39080158 486722908 /nfs/dbraw/zinc/72/29/08/486722908.db2.gz HTYDXXVRGSYUNA-UHFFFAOYSA-N 0 0 151.194 1.392 10 0 ADAERN CC/C(C)=C\C(=O)OC 39241705 486723288 /nfs/dbraw/zinc/72/32/88/486723288.db2.gz SLQFYMAWZYTVFZ-WAYWQWQTSA-N 0 0 128.171 1.516 10 0 ADAERN CCCC(=O)N[C@H]1CCCC[C@@H]1OC 669567273 486724889 /nfs/dbraw/zinc/72/48/89/486724889.db2.gz YAMLWTKDBZSFPI-UWVGGRQHSA-N 0 0 199.294 1.860 10 0 ADAERN CCc1nccn1C[C@@H](O)C(C)(C)C 44189872 486728343 /nfs/dbraw/zinc/72/83/43/486728343.db2.gz XUOLATHICXENAE-SECBINFHSA-N 0 0 196.294 1.853 10 0 ADAERN CCc1nccn1C[C@H](O)C(C)(C)C 44189869 486728533 /nfs/dbraw/zinc/72/85/33/486728533.db2.gz XUOLATHICXENAE-VIFPVBQESA-N 0 0 196.294 1.853 10 0 ADAERN CC[C@H]1C[C@@H](NC(C)=O)CCO1 44137323 486728584 /nfs/dbraw/zinc/72/85/84/486728584.db2.gz RZIQQQGDBLABKM-IUCAKERBSA-N 0 0 171.240 1.080 10 0 ADAERN Cc1c[nH]nc1C(=O)NC[C@H]1C[C@H]1C 669596053 486728779 /nfs/dbraw/zinc/72/87/79/486728779.db2.gz HFJLEEPWRITPKA-HTRCEHHLSA-N 0 0 193.250 1.104 10 0 ADAERN Cc1c[nH]nc1C(=O)NC[C@@H]1C[C@@H]1C 669596056 486728841 /nfs/dbraw/zinc/72/88/41/486728841.db2.gz HFJLEEPWRITPKA-XPUUQOCRSA-N 0 0 193.250 1.104 10 0 ADAERN Cc1c[nH]nc1C(=O)N(C)CC1CC1 669596917 486728916 /nfs/dbraw/zinc/72/89/16/486728916.db2.gz 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193.246 1.655 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@H](C(=O)N[C@@H]2C[C@H]2C)O1 671238434 486745596 /nfs/dbraw/zinc/74/55/96/486745596.db2.gz OKSQWPRUZZWRIH-VVULQXIFSA-N 0 0 197.278 1.325 10 0 ADAERN CCC(=O)N1CCC[C@H]1CCCO 52758531 486745943 /nfs/dbraw/zinc/74/59/43/486745943.db2.gz JAWQZFOHQCYERZ-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN CC(C)C(=O)N1CCC[C@H]1CCCO 52758466 486745999 /nfs/dbraw/zinc/74/59/99/486745999.db2.gz FUTMKAFAKWQTKE-JTQLQIEISA-N 0 0 199.294 1.406 10 0 ADAERN CCC(=O)N1CC[C@@]2(CCCOC2)C1 671288271 486746002 /nfs/dbraw/zinc/74/60/02/486746002.db2.gz HLILOQDQFZDGAG-NSHDSACASA-N 0 0 197.278 1.426 10 0 ADAERN CC(C)[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)CO 671285548 486746006 /nfs/dbraw/zinc/74/60/06/486746006.db2.gz AZTVNYJIUHLGBW-KXUCPTDWSA-N 0 0 199.294 1.118 10 0 ADAERN CCCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]1C 671288225 486746030 /nfs/dbraw/zinc/74/60/30/486746030.db2.gz AAGIODLINJYYMW-KXUCPTDWSA-N 0 0 199.294 1.716 10 0 ADAERN O=C(C1CC1)N1CCC[C@@H]1CCCO 52758540 486746044 /nfs/dbraw/zinc/74/60/44/486746044.db2.gz WKXACZDMBNYSIQ-SNVBAGLBSA-N 0 0 197.278 1.160 10 0 ADAERN CCCC(=O)N1CCC[C@H]1CCCO 52758750 486746052 /nfs/dbraw/zinc/74/60/52/486746052.db2.gz GIFIIPXMMRILTP-JTQLQIEISA-N 0 0 199.294 1.550 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@]1(C)CCCOC1 671288227 486746094 /nfs/dbraw/zinc/74/60/94/486746094.db2.gz AEGNDOPFQXNMTP-FXPVBKGRSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C(C1CC1)C1CC1 671288357 486746169 /nfs/dbraw/zinc/74/61/69/486746169.db2.gz LIXUIXZAMFYEEJ-GMSGAONNSA-N 0 0 193.290 1.947 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CC[C@@H]1CCOC1 671288270 486746202 /nfs/dbraw/zinc/74/62/02/486746202.db2.gz HTJVFROVPTWETB-OPRDCNLKSA-N 0 0 197.278 1.328 10 0 ADAERN CCC(=O)N1CCC[C@@H]1CCCO 52758529 486746286 /nfs/dbraw/zinc/74/62/86/486746286.db2.gz JAWQZFOHQCYERZ-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN CC(C)[C@H]1C[C@H]1C(=O)N(C)[C@H](C)CO 671285549 486746312 /nfs/dbraw/zinc/74/63/12/486746312.db2.gz AZTVNYJIUHLGBW-OPRDCNLKSA-N 0 0 199.294 1.118 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CC[C@H]1CCOC1 671288269 486746336 /nfs/dbraw/zinc/74/63/36/486746336.db2.gz HTJVFROVPTWETB-KXUCPTDWSA-N 0 0 197.278 1.328 10 0 ADAERN CC(C)C(=O)N1CCC[C@@H]1CCCO 52758464 486746429 /nfs/dbraw/zinc/74/64/29/486746429.db2.gz FUTMKAFAKWQTKE-SNVBAGLBSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@]1(C)CCCOC1 671288228 486746448 /nfs/dbraw/zinc/74/64/48/486746448.db2.gz AEGNDOPFQXNMTP-KKZNHRDASA-N 0 0 197.278 1.328 10 0 ADAERN CCOC[C@H](C)Nc1cccnn1 52831304 486746517 /nfs/dbraw/zinc/74/65/17/486746517.db2.gz JWJKMBYGSKUEIO-QMMMGPOBSA-N 0 0 181.239 1.314 10 0 ADAERN COCCC(C)(C)C(=O)N[C@@H]1C[C@H]1C 671288215 486746527 /nfs/dbraw/zinc/74/65/27/486746527.db2.gz BOGPFBLPNMLFPG-RKDXNWHRSA-N 0 0 199.294 1.574 10 0 ADAERN CCCC(=O)N1CCC[C@@H]1CCCO 52758748 486746589 /nfs/dbraw/zinc/74/65/89/486746589.db2.gz GIFIIPXMMRILTP-SNVBAGLBSA-N 0 0 199.294 1.550 10 0 ADAERN CCC(=O)N1CC[C@]2(CCCOC2)C1 671288268 486746672 /nfs/dbraw/zinc/74/66/72/486746672.db2.gz HLILOQDQFZDGAG-LLVKDONJSA-N 0 0 197.278 1.426 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)CO 671285550 486746764 /nfs/dbraw/zinc/74/67/64/486746764.db2.gz AZTVNYJIUHLGBW-UTLUCORTSA-N 0 0 199.294 1.118 10 0 ADAERN O=C(C1CC1)N1CCC[C@H]1CCCO 52758542 486746775 /nfs/dbraw/zinc/74/67/75/486746775.db2.gz WKXACZDMBNYSIQ-JTQLQIEISA-N 0 0 197.278 1.160 10 0 ADAERN CC(C)[C@H]1C[C@@H]1C(=O)N(C)[C@H](C)CO 671285547 486746783 /nfs/dbraw/zinc/74/67/83/486746783.db2.gz AZTVNYJIUHLGBW-BBBLOLIVSA-N 0 0 199.294 1.118 10 0 ADAERN CC(C)CO[C@@H](C)C(=O)N[C@@H]1C[C@H]1C 671288249 486746900 /nfs/dbraw/zinc/74/69/00/486746900.db2.gz FCQDTAFOKKSMCQ-KXUCPTDWSA-N 0 0 199.294 1.572 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)Nc1cccnn1 671519745 486747080 /nfs/dbraw/zinc/74/70/80/486747080.db2.gz HOZZCFWWRPBINY-RNFRBKRXSA-N 0 0 192.222 1.007 10 0 ADAERN CCn1nccc1C(=O)N[C@@H]1C[C@H]1C 671288484 486747143 /nfs/dbraw/zinc/74/71/43/486747143.db2.gz YLBFLESPYNRMDM-HTQZYQBOSA-N 0 0 193.250 1.041 10 0 ADAERN COCCC1(C(=O)N[C@@H]2C[C@H]2C)CC1 671288498 486747252 /nfs/dbraw/zinc/74/72/52/486747252.db2.gz UFDYVSVMYVXTCB-RKDXNWHRSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CCOCC1CC1 671288427 486747650 /nfs/dbraw/zinc/74/76/50/486747650.db2.gz QBLLGGOKUWUXOD-PSASIEDQSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H](OCC1CC1)C(=O)N[C@@H]1C[C@H]1C 671288380 486747701 /nfs/dbraw/zinc/74/77/01/486747701.db2.gz OEKAQJXVFFIAIC-NQMVMOMDSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 671288529 486747761 /nfs/dbraw/zinc/74/77/61/486747761.db2.gz XGUNJYZLZHIETA-NZFPMDFQSA-N 0 0 193.290 1.947 10 0 ADAERN CC(C)(C)C(=O)N1CCn2nccc21 671589848 486748494 /nfs/dbraw/zinc/74/84/94/486748494.db2.gz GECMSZIYRFEIBZ-UHFFFAOYSA-N 0 0 193.250 1.276 10 0 ADAERN CCCCC(=O)N1CCn2nccc21 671590819 486748539 /nfs/dbraw/zinc/74/85/39/486748539.db2.gz FFCHSBFEKJUGDW-UHFFFAOYSA-N 0 0 193.250 1.420 10 0 ADAERN CC[N@H+](Cc1ccco1)[C@H]1CCOC1 671623960 486748652 /nfs/dbraw/zinc/74/86/52/486748652.db2.gz IWVOXBLFVAIXSO-JTQLQIEISA-N 0 0 195.262 1.890 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CCn1cccc1 671593910 486748716 /nfs/dbraw/zinc/74/87/16/486748716.db2.gz YCZHGRKPXXMLEI-NXEZZACHSA-N 0 0 192.262 1.403 10 0 ADAERN COCC1(NC(=O)C2=CCC2)CCC1 671595878 486748766 /nfs/dbraw/zinc/74/87/66/486748766.db2.gz APSYUJMVEDMGDQ-UHFFFAOYSA-N 0 0 195.262 1.392 10 0 ADAERN CC(C)CC(=O)N1CCn2nccc21 671590289 486748772 /nfs/dbraw/zinc/74/87/72/486748772.db2.gz HUOJUGYCVCPJLU-UHFFFAOYSA-N 0 0 193.250 1.276 10 0 ADAERN CC[N@H+](Cc1ccco1)[C@@H]1CCOC1 671623961 486748801 /nfs/dbraw/zinc/74/88/01/486748801.db2.gz IWVOXBLFVAIXSO-SNVBAGLBSA-N 0 0 195.262 1.890 10 0 ADAERN CO[C@@H]1C[N@@H+]([C@H]2CCOC2)CC[C@H]1C 671627512 486749098 /nfs/dbraw/zinc/74/90/98/486749098.db2.gz IIRPXBDTGWRDCN-OUAUKWLOSA-N 0 0 199.294 1.132 10 0 ADAERN FC(F)[C@H]1CC[N@@H+]([C@H]2CCOC2)C1 671626309 486749138 /nfs/dbraw/zinc/74/91/38/486749138.db2.gz QDDLZIMMBQRQBQ-YUMQZZPRSA-N 0 0 191.221 1.362 10 0 ADAERN CO[C@@H]1C[N@@H+]([C@@H]2CCOC2)CC[C@@H]1C 671627511 486749191 /nfs/dbraw/zinc/74/91/91/486749191.db2.gz IIRPXBDTGWRDCN-HBNTYKKESA-N 0 0 199.294 1.132 10 0 ADAERN FC(F)[C@@H]1CC[N@@H+]([C@@H]2CCOC2)C1 671626306 486749355 /nfs/dbraw/zinc/74/93/55/486749355.db2.gz QDDLZIMMBQRQBQ-HTQZYQBOSA-N 0 0 191.221 1.362 10 0 ADAERN FC(F)[C@H]1CC[N@@H+]([C@@H]2CCOC2)C1 671626307 486749507 /nfs/dbraw/zinc/74/95/07/486749507.db2.gz QDDLZIMMBQRQBQ-JGVFFNPUSA-N 0 0 191.221 1.362 10 0 ADAERN C1=CC[N@H+]([C@H]2CCOC2)CC1 671626499 486749863 /nfs/dbraw/zinc/74/98/63/486749863.db2.gz NCRDYDNQSKEBSZ-VIFPVBQESA-N 0 0 153.225 1.037 10 0 ADAERN FC(F)[C@@H]1CC[N@@H+]([C@H]2CCOC2)C1 671626308 486750029 /nfs/dbraw/zinc/75/00/29/486750029.db2.gz QDDLZIMMBQRQBQ-SFYZADRCSA-N 0 0 191.221 1.362 10 0 ADAERN C1=CC[N@H+]([C@@H]2CCOC2)CC1 671626498 486750171 /nfs/dbraw/zinc/75/01/71/486750171.db2.gz NCRDYDNQSKEBSZ-SECBINFHSA-N 0 0 153.225 1.037 10 0 ADAERN CO[C@@H]1C[N@@H+]([C@H]2CCOC2)CC[C@@H]1C 671627509 486750219 /nfs/dbraw/zinc/75/02/19/486750219.db2.gz IIRPXBDTGWRDCN-GARJFASQSA-N 0 0 199.294 1.132 10 0 ADAERN CCCNC(=O)c1nc(CC)oc1C 671644436 486750754 /nfs/dbraw/zinc/75/07/54/486750754.db2.gz RKIHABWBXSPQHL-UHFFFAOYSA-N 0 0 196.250 1.685 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(-c2ncc[nH]2)no1 671670098 486751631 /nfs/dbraw/zinc/75/16/31/486751631.db2.gz OWJQWRKPFWICPG-PHDIDXHHSA-N 0 0 190.206 1.583 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(-c2ncc[nH]2)no1 671670099 486751782 /nfs/dbraw/zinc/75/17/82/486751782.db2.gz OWJQWRKPFWICPG-WDSKDSINSA-N 0 0 190.206 1.583 10 0 ADAERN Cc1ncn(CCCCF)c(=O)c1C 671655941 486752282 /nfs/dbraw/zinc/75/22/82/486752282.db2.gz KBKNTTGGBFSVSZ-UHFFFAOYSA-N 0 0 198.241 1.610 10 0 ADAERN CO[C@H]1C[C@@H](N(C)Cc2ccon2)C1 671704789 486753601 /nfs/dbraw/zinc/75/36/01/486753601.db2.gz IHRKDCZPASRWHM-AOOOYVTPSA-N 0 0 196.250 1.284 10 0 ADAERN CC(C)[C@@H](O)C(=O)NCCCC1CC1 671732069 486755916 /nfs/dbraw/zinc/75/59/16/486755916.db2.gz ROMQDOGESGAGJP-SNVBAGLBSA-N 0 0 199.294 1.310 10 0 ADAERN CC[C@@H](C)CCC(=O)NC1(CO)CC1 671783246 486756285 /nfs/dbraw/zinc/75/62/85/486756285.db2.gz ILGXORCBVUPJCC-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN CCC1(NC(=O)[C@H](O)C(C)C)CCC1 671759487 486756295 /nfs/dbraw/zinc/75/62/95/486756295.db2.gz FQWSBJOAUHCBAE-SECBINFHSA-N 0 0 199.294 1.452 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)N[C@H]1CC[C@H]1C 671737974 486756368 /nfs/dbraw/zinc/75/63/68/486756368.db2.gz JXEVMMNGSDVRMI-FIRGSJFUSA-N 0 0 196.294 1.883 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)N[C@H]1CC[C@H]1C 671737976 486756410 /nfs/dbraw/zinc/75/64/10/486756410.db2.gz JXEVMMNGSDVRMI-JXUBOQSCSA-N 0 0 196.294 1.883 10 0 ADAERN CC[C@@H](C)CCC(=O)N1CC(CO)C1 671794892 486756481 /nfs/dbraw/zinc/75/64/81/486756481.db2.gz CMMMDPOCXWKHLD-SECBINFHSA-N 0 0 199.294 1.263 10 0 ADAERN CC[C@H](C)CCC(=O)N1CC(CO)C1 671794893 486756528 /nfs/dbraw/zinc/75/65/28/486756528.db2.gz CMMMDPOCXWKHLD-VIFPVBQESA-N 0 0 199.294 1.263 10 0 ADAERN CC[C@H](C)CCC(=O)NC1(CO)CC1 671783247 486756612 /nfs/dbraw/zinc/75/66/12/486756612.db2.gz ILGXORCBVUPJCC-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN CC(C)[C@@H](O)C(=O)NCC1(C)CCC1 671764811 486756695 /nfs/dbraw/zinc/75/66/95/486756695.db2.gz AVNRNCOALMDSML-SECBINFHSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)N[C@H]1CC[C@H]1C 671737975 486756710 /nfs/dbraw/zinc/75/67/10/486756710.db2.gz JXEVMMNGSDVRMI-IMSYWVGJSA-N 0 0 196.294 1.883 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)N[C@@H]1CC[C@H]1C 671737977 486756840 /nfs/dbraw/zinc/75/68/40/486756840.db2.gz JXEVMMNGSDVRMI-KYXWUPHJSA-N 0 0 196.294 1.883 10 0 ADAERN CC[C@H](C)OCC(=O)N[C@@H]1CC[C@@H]1C 671901605 486757176 /nfs/dbraw/zinc/75/71/76/486757176.db2.gz DYARJUYSTQGIAF-LPEHRKFASA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@H](C(=O)N[C@@H]1CC[C@@H]1C)C1CC1 671901478 486757340 /nfs/dbraw/zinc/75/73/40/486757340.db2.gz BVVOTKJDJPOEPX-SFGNSQDASA-N 0 0 197.278 1.326 10 0 ADAERN CO[C@H](C(=O)N[C@@H]1CC[C@H]1C)C1CC1 671901477 486757370 /nfs/dbraw/zinc/75/73/70/486757370.db2.gz BVVOTKJDJPOEPX-QNSHHTMESA-N 0 0 197.278 1.326 10 0 ADAERN CC[C@H](C)OCC(=O)N[C@@H]1CC[C@H]1C 671901604 486757487 /nfs/dbraw/zinc/75/74/87/486757487.db2.gz DYARJUYSTQGIAF-KXUCPTDWSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H](C)OCC(=O)N[C@H]1CC[C@@H]1C 671901603 486757549 /nfs/dbraw/zinc/75/75/49/486757549.db2.gz DYARJUYSTQGIAF-GUBZILKMSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@H](C(=O)N[C@H]1CC[C@H]1C)C1CC1 671901476 486757604 /nfs/dbraw/zinc/75/76/04/486757604.db2.gz BVVOTKJDJPOEPX-JEZHCXPESA-N 0 0 197.278 1.326 10 0 ADAERN CCC(=O)N1CCCCC[C@H]1CCO 671897979 486757610 /nfs/dbraw/zinc/75/76/10/486757610.db2.gz ZKQQPENZVWBUMC-JTQLQIEISA-N 0 0 199.294 1.550 10 0 ADAERN CCC(=O)N1CCCCC[C@@H]1CCO 671897980 486757661 /nfs/dbraw/zinc/75/76/61/486757661.db2.gz ZKQQPENZVWBUMC-SNVBAGLBSA-N 0 0 199.294 1.550 10 0 ADAERN CC[C@H](C)OCC(=O)N[C@H]1CC[C@H]1C 671901606 486757707 /nfs/dbraw/zinc/75/77/07/486757707.db2.gz DYARJUYSTQGIAF-UTLUCORTSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@H](C(=O)N[C@H]1CC[C@@H]1C)C1CC1 671901475 486757849 /nfs/dbraw/zinc/75/78/49/486757849.db2.gz BVVOTKJDJPOEPX-HGNGGELXSA-N 0 0 197.278 1.326 10 0 ADAERN O=C(NCCF)c1cc[nH]c1C1CC1 671845158 486757910 /nfs/dbraw/zinc/75/79/10/486757910.db2.gz UUSPDBOUFVLLTI-UHFFFAOYSA-N 0 0 196.225 1.591 10 0 ADAERN COC[C@H](C)CC(=O)N[C@@H]1CC[C@H]1C 671902025 486758136 /nfs/dbraw/zinc/75/81/36/486758136.db2.gz RPYCBKPDWOZOJA-OPRDCNLKSA-N 0 0 199.294 1.574 10 0 ADAERN COC[C@H](C)CC(=O)N[C@H]1CC[C@H]1C 671902023 486758143 /nfs/dbraw/zinc/75/81/43/486758143.db2.gz RPYCBKPDWOZOJA-BBBLOLIVSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1c[nH]nc1C(=O)N[C@@H]1CC[C@@H]1C 671901751 486758148 /nfs/dbraw/zinc/75/81/48/486758148.db2.gz JBQZJWNVQNOUBS-POYBYMJQSA-N 0 0 193.250 1.246 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H]1C 671901959 486758164 /nfs/dbraw/zinc/75/81/64/486758164.db2.gz CHJMBXUUHHRJAO-RGOKHQFPSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)[C@@H]1CO[C@H](C)C1 671901866 486758187 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/nfs/dbraw/zinc/80/51/01/486805101.db2.gz MHSJSDAFKYBGOB-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN CC[C@H](OC)C(=O)NC1(CC)CCC1 674510547 486805235 /nfs/dbraw/zinc/80/52/35/486805235.db2.gz SKSJIPRFXAJQOG-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN CC[C@@H](OC)C(=O)NC1(CC)CCC1 674510545 486805237 /nfs/dbraw/zinc/80/52/37/486805237.db2.gz SKSJIPRFXAJQOG-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN CC1(CNC(=O)c2cocn2)CCC1 674517529 486805508 /nfs/dbraw/zinc/80/55/08/486805508.db2.gz ILJFBCSKBDVNPF-UHFFFAOYSA-N 0 0 194.234 1.595 10 0 ADAERN CCOCCC(=O)NCC1(C)CCC1 674517552 486805624 /nfs/dbraw/zinc/80/56/24/486805624.db2.gz JPPLMLDLPRWSRL-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CC[C@@H](C)N(CC)S(C)(=O)=O 81572550 486805811 /nfs/dbraw/zinc/80/58/11/486805811.db2.gz BKJKGJZCCPSQKF-SSDOTTSWSA-N 0 0 179.285 1.066 10 0 ADAERN CC[C@@H](OC)C(=O)NCC1(C)CCC1 674518406 486805870 /nfs/dbraw/zinc/80/58/70/486805870.db2.gz XVMMYFSWXCESFW-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H](OC)C(=O)NCC1(C)CCC1 674518407 486805909 /nfs/dbraw/zinc/80/59/09/486805909.db2.gz XVMMYFSWXCESFW-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCO[C@H](C)C(=O)NCC1(C)CCC1 674517204 486805950 /nfs/dbraw/zinc/80/59/50/486805950.db2.gz CGCCWEQAQMWCCP-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H](C)N(CC)S(C)(=O)=O 81572552 486806054 /nfs/dbraw/zinc/80/60/54/486806054.db2.gz BKJKGJZCCPSQKF-ZETCQYMHSA-N 0 0 179.285 1.066 10 0 ADAERN CCO[C@@H](C)C(=O)NCC1(C)CCC1 674517206 486806069 /nfs/dbraw/zinc/80/60/69/486806069.db2.gz CGCCWEQAQMWCCP-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCC[C@@H]1C[C@H]1NC(=O)N1CC[C@H]1C 674635837 486806513 /nfs/dbraw/zinc/80/65/13/486806513.db2.gz AGNMICUKXVYVPI-OPRDCNLKSA-N 0 0 196.294 1.979 10 0 ADAERN CCC[C@@H]1C[C@H]1NC(=O)N1CC[C@@H]1C 674635836 486806833 /nfs/dbraw/zinc/80/68/33/486806833.db2.gz AGNMICUKXVYVPI-IVZWLZJFSA-N 0 0 196.294 1.979 10 0 ADAERN CCC1(CNC(=O)N2CC[C@@H]2C)CC1 674639953 486806970 /nfs/dbraw/zinc/80/69/70/486806970.db2.gz 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/nfs/dbraw/zinc/80/85/87/486808587.db2.gz AWYBHYSJQSIRIV-UHFFFAOYSA-N 0 0 193.250 1.072 10 0 ADAERN CC1CC(C(=O)NCC2(O)CCC2)C1 674685270 486808656 /nfs/dbraw/zinc/80/86/56/486808656.db2.gz UXZGCRVCOKYMOB-UHFFFAOYSA-N 0 0 197.278 1.064 10 0 ADAERN CC1CC(C(=O)N(C)CC(C)(C)O)C1 674709106 486809151 /nfs/dbraw/zinc/80/91/51/486809151.db2.gz ACEBNPPUISQMIO-UHFFFAOYSA-N 0 0 199.294 1.262 10 0 ADAERN CC1CC(C(=O)N2CC[C@@](C)(O)C2)C1 674709158 486809232 /nfs/dbraw/zinc/80/92/32/486809232.db2.gz DMWAQZDTPNRCIP-NWGYLPEXSA-N 0 0 197.278 1.016 10 0 ADAERN CC[C@@](C)(O)CNC(=O)C1CC(C)C1 674686520 486809286 /nfs/dbraw/zinc/80/92/86/486809286.db2.gz RXDJAQGHRULRLW-NWGYLPEXSA-N 0 0 199.294 1.310 10 0 ADAERN CCCCOc1nnc2ccccn12 674714660 486809339 /nfs/dbraw/zinc/80/93/39/486809339.db2.gz AZZLTBZRPSIYEN-UHFFFAOYSA-N 0 0 191.234 1.908 10 0 ADAERN CC1CC(C(=O)N[C@@H](C)C(C)(C)O)C1 674686417 486809344 /nfs/dbraw/zinc/80/93/44/486809344.db2.gz NLIBSYGNOLBULL-MGURRDGZSA-N 0 0 199.294 1.308 10 0 ADAERN 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/nfs/dbraw/zinc/81/16/77/486811677.db2.gz AXEUVAFGGAWASE-SECBINFHSA-N 0 0 196.206 1.182 10 0 ADAERN CCCCN(C)C(=O)[C@]1(C)CCCO1 674772146 486811685 /nfs/dbraw/zinc/81/16/85/486811685.db2.gz KVMCVAJGQZYJJA-NSHDSACASA-N 0 0 199.294 1.814 10 0 ADAERN CCC[C@@H](C)NC(=O)[C@]1(C)CCCO1 674770900 486811713 /nfs/dbraw/zinc/81/17/13/486811713.db2.gz BRKDMNGUNPAQGQ-KOLCDFICSA-N 0 0 199.294 1.860 10 0 ADAERN CCC[C@H](C)NC(=O)[C@]1(C)CCCO1 674770903 486811728 /nfs/dbraw/zinc/81/17/28/486811728.db2.gz BRKDMNGUNPAQGQ-ONGXEEELSA-N 0 0 199.294 1.860 10 0 ADAERN CCCCCNC(=O)[C@@]1(C)CCCO1 674767521 486811756 /nfs/dbraw/zinc/81/17/56/486811756.db2.gz IAZYOHQDSDLPCG-LLVKDONJSA-N 0 0 199.294 1.862 10 0 ADAERN CCC(CC)NC(=O)[C@]1(C)CCCO1 674771648 486811769 /nfs/dbraw/zinc/81/17/69/486811769.db2.gz QIHZAUCRRKJCAD-NSHDSACASA-N 0 0 199.294 1.860 10 0 ADAERN C[C@@]1(C(=O)NCCC2CC2)CCCO1 674798710 486811844 /nfs/dbraw/zinc/81/18/44/486811844.db2.gz PFPHPNUSEGERHQ-NSHDSACASA-N 0 0 197.278 1.472 10 0 ADAERN 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/nfs/dbraw/zinc/84/04/35/486840435.db2.gz CLRUTYLDHXNGIK-UHFFFAOYSA-N 0 0 197.238 1.395 10 0 ADAERN CC[C@H](O)Cc1nc([C@H]2C[C@@H]2C)no1 83810854 486841424 /nfs/dbraw/zinc/84/14/24/486841424.db2.gz VLOOZUGQCVIWJV-FXQIFTODSA-N 0 0 196.250 1.506 10 0 ADAERN CC[C@H](O)Cc1nc([C@@H]2C[C@@H]2C)no1 83810852 486841505 /nfs/dbraw/zinc/84/15/05/486841505.db2.gz VLOOZUGQCVIWJV-BIIVOSGPSA-N 0 0 196.250 1.506 10 0 ADAERN CN(C)c1noc(-c2ccncc2)n1 675621400 486843288 /nfs/dbraw/zinc/84/32/88/486843288.db2.gz POVWTEQPGFLIQV-UHFFFAOYSA-N 0 0 190.206 1.198 10 0 ADAERN CCC[C@H](O)CNC(=O)C1CC(C)C1 675594632 486843668 /nfs/dbraw/zinc/84/36/68/486843668.db2.gz OTHZELNYMGXRKV-RTBKNWGFSA-N 0 0 199.294 1.310 10 0 ADAERN CCC[C@@H](O)CNC(=O)C1CC(C)C1 675594633 486843730 /nfs/dbraw/zinc/84/37/30/486843730.db2.gz OTHZELNYMGXRKV-UDNWOFFPSA-N 0 0 199.294 1.310 10 0 ADAERN CC(=O)CCCCOc1nc(C)no1 675610034 486843845 /nfs/dbraw/zinc/84/38/45/486843845.db2.gz CMWMGPNOROCWFN-UHFFFAOYSA-N 0 0 198.222 1.516 10 0 ADAERN Cn1ccc(C(=O)Nc2cnoc2)c1 675629581 486844390 /nfs/dbraw/zinc/84/43/90/486844390.db2.gz RPFFIMGVVUGEKP-UHFFFAOYSA-N 0 0 191.190 1.265 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CC2(C)C)O1 675629186 486844829 /nfs/dbraw/zinc/84/48/29/486844829.db2.gz GATGHAUOXMSJNA-VGMNWLOBSA-N 0 0 197.278 1.469 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC2(C)C)O1 675629185 486844913 /nfs/dbraw/zinc/84/49/13/486844913.db2.gz GATGHAUOXMSJNA-HRDYMLBCSA-N 0 0 197.278 1.469 10 0 ADAERN CN(C)c1noc(C2CCOCC2)n1 675621430 486844960 /nfs/dbraw/zinc/84/49/60/486844960.db2.gz SZVQCCFRFGWNPV-UHFFFAOYSA-N 0 0 197.238 1.030 10 0 ADAERN O=C([O-])CC1(C[NH+]2CCCCC2)CC1 83854624 486845217 /nfs/dbraw/zinc/84/52/17/486845217.db2.gz AWHIJYTUDPTPAY-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN c1nc([C@H]2CCCN2CC2CC2)no1 675639373 486845692 /nfs/dbraw/zinc/84/56/92/486845692.db2.gz IRMUUSIAYCLROH-SECBINFHSA-N 0 0 193.250 1.617 10 0 ADAERN c1nc([C@@H]2CCCN2CC2CC2)no1 675639374 486845916 /nfs/dbraw/zinc/84/59/16/486845916.db2.gz IRMUUSIAYCLROH-VIFPVBQESA-N 0 0 193.250 1.617 10 0 ADAERN CN(Cc1nccs1)CC1CC1 675640343 486847374 /nfs/dbraw/zinc/84/73/74/486847374.db2.gz XMJKDMNMSLNEHW-UHFFFAOYSA-N 0 0 182.292 1.985 10 0 ADAERN CC1CC(C(=O)N[C@H](C)CCCO)C1 675642896 486848432 /nfs/dbraw/zinc/84/84/32/486848432.db2.gz FFLLSFAFEUFQBR-HWOCKDDLSA-N 0 0 199.294 1.310 10 0 ADAERN CC[C@@H](O)CCNC(=O)C1CC(C)C1 675672437 486848495 /nfs/dbraw/zinc/84/84/95/486848495.db2.gz QJJZIZGKGLXCAS-UDNWOFFPSA-N 0 0 199.294 1.310 10 0 ADAERN CC[C@H](O)CCNC(=O)C1CC(C)C1 675672435 486848657 /nfs/dbraw/zinc/84/86/57/486848657.db2.gz QJJZIZGKGLXCAS-RTBKNWGFSA-N 0 0 199.294 1.310 10 0 ADAERN CC1CC(C(=O)N[C@@H](C)CCCO)C1 675642898 486848681 /nfs/dbraw/zinc/84/86/81/486848681.db2.gz FFLLSFAFEUFQBR-KYHHOPLUSA-N 0 0 199.294 1.310 10 0 ADAERN CN(CC1CC1)C(=O)Cc1ccco1 675748442 486849378 /nfs/dbraw/zinc/84/93/78/486849378.db2.gz YMHFHEAEWNYREJ-UHFFFAOYSA-N 0 0 193.246 1.691 10 0 ADAERN C[C@@H]1OCCN(c2cccnn2)[C@H]1C 675798065 486849383 /nfs/dbraw/zinc/84/93/83/486849383.db2.gz PNQKNDKXAORMDG-IUCAKERBSA-N 0 0 193.250 1.090 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)Cc1ccco1 675741591 486849407 /nfs/dbraw/zinc/84/94/07/486849407.db2.gz IBVOMVKAUYITOU-DTWKUNHWSA-N 0 0 193.246 1.594 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)Cc1ccco1 675741587 486849413 /nfs/dbraw/zinc/84/94/13/486849413.db2.gz IBVOMVKAUYITOU-BDAKNGLRSA-N 0 0 193.246 1.594 10 0 ADAERN C[C@H]1OCCN(c2cccnn2)[C@@H]1C 675798066 486849543 /nfs/dbraw/zinc/84/95/43/486849543.db2.gz PNQKNDKXAORMDG-RKDXNWHRSA-N 0 0 193.250 1.090 10 0 ADAERN C[C@H]1[C@@H](C)OCCN1c1cccnn1 675798064 486849635 /nfs/dbraw/zinc/84/96/35/486849635.db2.gz PNQKNDKXAORMDG-DTWKUNHWSA-N 0 0 193.250 1.090 10 0 ADAERN C[C@@H]1OCCN(c2cccnn2)[C@@H]1C 675798063 486849703 /nfs/dbraw/zinc/84/97/03/486849703.db2.gz PNQKNDKXAORMDG-BDAKNGLRSA-N 0 0 193.250 1.090 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)Cc1ccco1 675741593 486849803 /nfs/dbraw/zinc/84/98/03/486849803.db2.gz IBVOMVKAUYITOU-IUCAKERBSA-N 0 0 193.246 1.594 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)Cc1ccco1 675741594 486849902 /nfs/dbraw/zinc/84/99/02/486849902.db2.gz IBVOMVKAUYITOU-RKDXNWHRSA-N 0 0 193.246 1.594 10 0 ADAERN O=C(Cc1ccco1)Nc1cnoc1 675774955 486849928 /nfs/dbraw/zinc/84/99/28/486849928.db2.gz RFFMTBVBUVLBPR-UHFFFAOYSA-N 0 0 192.174 1.449 10 0 ADAERN CC(C)n1ncnc1CNC1CC1 83977196 486850879 /nfs/dbraw/zinc/85/08/79/486850879.db2.gz RWNHCTXJYSHZPL-UHFFFAOYSA-N 0 0 180.255 1.111 10 0 ADAERN CC(C)CCn1ccc(NC(N)=O)n1 675898247 486852559 /nfs/dbraw/zinc/85/25/59/486852559.db2.gz HYZZIJLKUZHGKB-UHFFFAOYSA-N 0 0 196.254 1.420 10 0 ADAERN C[N@H+](CC(C)(C)C)[C@@H](C(=O)[O-])C1CC1 84094585 486853405 /nfs/dbraw/zinc/85/34/05/486853405.db2.gz VYRATZPSKVDYBS-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN COCCCN(CC(F)F)C(C)C 676041130 486853477 /nfs/dbraw/zinc/85/34/77/486853477.db2.gz BIRBIRJSEKZXMP-UHFFFAOYSA-N 0 0 195.253 1.998 10 0 ADAERN C[N@H+](CC(C)(C)C)[C@H](C(=O)[O-])C1CC1 84094583 486854002 /nfs/dbraw/zinc/85/40/02/486854002.db2.gz VYRATZPSKVDYBS-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN CCC[C@H](O)CC(=O)NC[C@H]1C[C@H]1C 676740450 486869192 /nfs/dbraw/zinc/86/91/92/486869192.db2.gz HSTANXGDLYZBTO-BBBLOLIVSA-N 0 0 199.294 1.310 10 0 ADAERN O=C(NCCCF)[C@@H]1[C@H]2CCCC[C@H]21 676063915 486855815 /nfs/dbraw/zinc/85/58/15/486855815.db2.gz JJKBBELPEYGXLV-MYJAWHEDSA-N 0 0 199.269 1.898 10 0 ADAERN Cc1cc(C(=O)NCCCF)c(C)[nH]1 676063462 486855441 /nfs/dbraw/zinc/85/54/41/486855441.db2.gz FYYDQFLGZGOXKA-UHFFFAOYSA-N 0 0 198.241 1.721 10 0 ADAERN CCC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 676071092 486855660 /nfs/dbraw/zinc/85/56/60/486855660.db2.gz JGBKCZXQNJIWLX-ZETCQYMHSA-N 0 0 195.266 1.175 10 0 ADAERN CCC(=O)N[C@H](C)Cc1cc(C)n[nH]1 676071091 486855736 /nfs/dbraw/zinc/85/57/36/486855736.db2.gz JGBKCZXQNJIWLX-SSDOTTSWSA-N 0 0 195.266 1.175 10 0 ADAERN Cc1ccc(OCC(=O)C2CC2)nc1 676074288 486856272 /nfs/dbraw/zinc/85/62/72/486856272.db2.gz OLLVZHBSOHIWCM-UHFFFAOYSA-N 0 0 191.230 1.748 10 0 ADAERN CCO[C@@H]1C[C@H]1c1nc(N(C)C)no1 676236709 486858200 /nfs/dbraw/zinc/85/82/00/486858200.db2.gz SSFIEGSCQXHCGQ-RNFRBKRXSA-N 0 0 197.238 1.028 10 0 ADAERN CC(=O)[C@H](C)CCCCC(=O)N(C)C 676208677 486857011 /nfs/dbraw/zinc/85/70/11/486857011.db2.gz IAIHWXHIOXBKNG-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN COCCCCn1cc(Cl)cn1 676198764 486857021 /nfs/dbraw/zinc/85/70/21/486857021.db2.gz HLXGJZKHKWSABZ-UHFFFAOYSA-N 0 0 188.658 1.963 10 0 ADAERN Cc1[nH]nc(C(=O)NCCCF)c1C 676111979 486857097 /nfs/dbraw/zinc/85/70/97/486857097.db2.gz WPIVTEORBDBPFU-UHFFFAOYSA-N 0 0 199.229 1.116 10 0 ADAERN COc1cc(N(C)CC2CC2)ncn1 676197512 486857286 /nfs/dbraw/zinc/85/72/86/486857286.db2.gz MCNMYPHSEAIOFR-UHFFFAOYSA-N 0 0 193.250 1.331 10 0 ADAERN CCCCCNC(=O)c1ccnnc1 676207720 486857407 /nfs/dbraw/zinc/85/74/07/486857407.db2.gz MDADUGGXRNEXFD-UHFFFAOYSA-N 0 0 193.250 1.397 10 0 ADAERN CCc1n[nH]cc1C(=O)NCCCF 676111959 486857435 /nfs/dbraw/zinc/85/74/35/486857435.db2.gz UTPOXENJTQNESN-UHFFFAOYSA-N 0 0 199.229 1.062 10 0 ADAERN CC[C@@H](C)C(=O)NC[C@H]1CCC[C@@H]1O 84223583 486857571 /nfs/dbraw/zinc/85/75/71/486857571.db2.gz RMJHCUGKQAKVBW-BBBLOLIVSA-N 0 0 199.294 1.310 10 0 ADAERN COCCCCc1nc(N(C)C)no1 676237150 486857778 /nfs/dbraw/zinc/85/77/78/486857778.db2.gz XUOYUFOMVBYSMO-UHFFFAOYSA-N 0 0 199.254 1.105 10 0 ADAERN CCNC(=O)CCCC[C@H](C)C(C)=O 676209416 486857781 /nfs/dbraw/zinc/85/77/81/486857781.db2.gz NSUGUKLIQFSUGK-VIFPVBQESA-N 0 0 199.294 1.908 10 0 ADAERN CCOCCCc1nc(N(C)C)no1 676236381 486857787 /nfs/dbraw/zinc/85/77/87/486857787.db2.gz QDKKPKQZMWQBLT-UHFFFAOYSA-N 0 0 199.254 1.105 10 0 ADAERN CCO[C@H]1C[C@@H]1c1nc(N(C)C)no1 676236707 486857870 /nfs/dbraw/zinc/85/78/70/486857870.db2.gz SSFIEGSCQXHCGQ-BQBZGAKWSA-N 0 0 197.238 1.028 10 0 ADAERN CCCCN(C)C(=O)c1ccnnc1 676208812 486858000 /nfs/dbraw/zinc/85/80/00/486858000.db2.gz MOPDZWOOMCVPKQ-UHFFFAOYSA-N 0 0 193.250 1.349 10 0 ADAERN CCNC(=O)CCCC[C@@H](C)C(C)=O 676209413 486858183 /nfs/dbraw/zinc/85/81/83/486858183.db2.gz NSUGUKLIQFSUGK-SECBINFHSA-N 0 0 199.294 1.908 10 0 ADAERN CN(C)c1noc([C@@H]2CC23CCC3)n1 676235463 486858192 /nfs/dbraw/zinc/85/81/92/486858192.db2.gz GXPGXAWMEZCKFT-ZETCQYMHSA-N 0 0 193.250 1.793 10 0 ADAERN CCCCOCc1nc(N(C)C)no1 676236012 486858211 /nfs/dbraw/zinc/85/82/11/486858211.db2.gz LYHKFDKCMDAIMI-UHFFFAOYSA-N 0 0 199.254 1.452 10 0 ADAERN CN(C)c1noc([C@@H]2CCCOC2)n1 676235786 486858257 /nfs/dbraw/zinc/85/82/57/486858257.db2.gz OBYKKWLFJDOSAJ-SSDOTTSWSA-N 0 0 197.238 1.030 10 0 ADAERN CC(=O)[C@@H](C)CCCCC(=O)N(C)C 676208678 486858288 /nfs/dbraw/zinc/85/82/88/486858288.db2.gz IAIHWXHIOXBKNG-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN CCC(CC)NC(=O)c1ccnnc1 676209342 486858309 /nfs/dbraw/zinc/85/83/09/486858309.db2.gz XBJUFVLNOIOKKQ-UHFFFAOYSA-N 0 0 193.250 1.395 10 0 ADAERN CN(C)c1noc([C@H]2CCCOC2)n1 676235787 486858312 /nfs/dbraw/zinc/85/83/12/486858312.db2.gz OBYKKWLFJDOSAJ-ZETCQYMHSA-N 0 0 197.238 1.030 10 0 ADAERN CCCC1(c2nc(N(C)C)no2)CC1 676237104 486858324 /nfs/dbraw/zinc/85/83/24/486858324.db2.gz XKYXISPMGHSWAR-UHFFFAOYSA-N 0 0 195.266 1.967 10 0 ADAERN CN(C)c1noc(CCC2CCC2)n1 676236224 486858340 /nfs/dbraw/zinc/85/83/40/486858340.db2.gz ZPGNGXGPNATYKL-UHFFFAOYSA-N 0 0 195.266 1.868 10 0 ADAERN CCO[C@@H]1C[C@@H]1c1nc(N(C)C)no1 676236708 486858436 /nfs/dbraw/zinc/85/84/36/486858436.db2.gz SSFIEGSCQXHCGQ-NKWVEPMBSA-N 0 0 197.238 1.028 10 0 ADAERN CN(C)c1noc([C@H]2CC23CCC3)n1 676235462 486858485 /nfs/dbraw/zinc/85/84/85/486858485.db2.gz GXPGXAWMEZCKFT-SSDOTTSWSA-N 0 0 193.250 1.793 10 0 ADAERN CCO[C@H]1C[C@H]1c1nc(N(C)C)no1 676236710 486858508 /nfs/dbraw/zinc/85/85/08/486858508.db2.gz SSFIEGSCQXHCGQ-RQJHMYQMSA-N 0 0 197.238 1.028 10 0 ADAERN CN(C)c1noc(-c2cccnc2)n1 676235713 486858594 /nfs/dbraw/zinc/85/85/94/486858594.db2.gz IJLOUKFRDCMPDX-UHFFFAOYSA-N 0 0 190.206 1.198 10 0 ADAERN CCC[C@](C)(O)C(=O)NC[C@@H]1C[C@H]1C 676333478 486859258 /nfs/dbraw/zinc/85/92/58/486859258.db2.gz CBMWHBUJQLNCKA-YWVKMMECSA-N 0 0 199.294 1.310 10 0 ADAERN CCC(CC)n1nccc1C(=O)NC 676268030 486859271 /nfs/dbraw/zinc/85/92/71/486859271.db2.gz FMVMTPOZXUBYEX-UHFFFAOYSA-N 0 0 195.266 1.604 10 0 ADAERN CCC(CC)n1ccc(C(=O)NC)n1 676268025 486859457 /nfs/dbraw/zinc/85/94/57/486859457.db2.gz FFHNTMHMYNYNJN-UHFFFAOYSA-N 0 0 195.266 1.604 10 0 ADAERN CC(C)C(=O)NCC1(CCO)CCC1 676329781 486859518 /nfs/dbraw/zinc/85/95/18/486859518.db2.gz YLMYMMJUKJIODT-UHFFFAOYSA-N 0 0 199.294 1.311 10 0 ADAERN CCC[C@](C)(O)C(=O)NC[C@H]1C[C@H]1C 676333475 486859638 /nfs/dbraw/zinc/85/96/38/486859638.db2.gz CBMWHBUJQLNCKA-KKZNHRDASA-N 0 0 199.294 1.310 10 0 ADAERN CCC[C@](C)(O)C(=O)NC[C@@H]1C[C@@H]1C 676333477 486859686 /nfs/dbraw/zinc/85/96/86/486859686.db2.gz CBMWHBUJQLNCKA-QXEWZRGKSA-N 0 0 199.294 1.310 10 0 ADAERN CCC[C@](C)(O)C(=O)NC[C@H]1C[C@@H]1C 676333476 486859691 /nfs/dbraw/zinc/85/96/91/486859691.db2.gz CBMWHBUJQLNCKA-NGZCFLSTSA-N 0 0 199.294 1.310 10 0 ADAERN CCOCCC1(C(=O)N(C)C)CCC1 676269134 486859793 /nfs/dbraw/zinc/85/97/93/486859793.db2.gz BYPVTEABIAYNNB-UHFFFAOYSA-N 0 0 199.294 1.672 10 0 ADAERN O=C(NCC1(CCO)CCC1)C1CC1 676329619 486859869 /nfs/dbraw/zinc/85/98/69/486859869.db2.gz UIHNIFFRQQOMIO-UHFFFAOYSA-N 0 0 197.278 1.065 10 0 ADAERN CC(=O)NCCC[C@@H]1CCCC[C@@H]1O 676347696 486860341 /nfs/dbraw/zinc/86/03/41/486860341.db2.gz NBPHJZRKJXCDAL-QWRGUYRKSA-N 0 0 199.294 1.454 10 0 ADAERN CC1CC(C(=O)NCC(C)(C)CO)C1 676398215 486860349 /nfs/dbraw/zinc/86/03/49/486860349.db2.gz UPZBYGQLDSVCTC-UHFFFAOYSA-N 0 0 199.294 1.167 10 0 ADAERN CCCC(=O)NCC1(CCO)CCC1 676399358 486860365 /nfs/dbraw/zinc/86/03/65/486860365.db2.gz DNTNWTGILQRFMA-UHFFFAOYSA-N 0 0 199.294 1.455 10 0 ADAERN CCC[C@](C)(O)C(=O)N[C@@H]1CC1(C)C 676334827 486860406 /nfs/dbraw/zinc/86/04/06/486860406.db2.gz KLQXPVFYAJQSRB-KCJUWKMLSA-N 0 0 199.294 1.452 10 0 ADAERN CC1CC(C(=O)NC[C@H](C)CCO)C1 676395082 486860491 /nfs/dbraw/zinc/86/04/91/486860491.db2.gz CELWEJGJFKRSID-XNWIYYODSA-N 0 0 199.294 1.167 10 0 ADAERN CC1CC(C(=O)NC[C@@H](O)C(C)C)C1 676347352 486860513 /nfs/dbraw/zinc/86/05/13/486860513.db2.gz 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87196087 486892264 /nfs/dbraw/zinc/89/22/64/486892264.db2.gz BNTJQUMTCQHHFL-UHFFFAOYSA-N 0 0 197.278 1.184 10 0 ADAERN Cc1cscc1C(=O)NC1COC1 87196024 486892281 /nfs/dbraw/zinc/89/22/81/486892281.db2.gz XGYNJLVVRXTZRZ-UHFFFAOYSA-N 0 0 197.259 1.185 10 0 ADAERN Cc1ccsc1C(=O)NC1COC1 87196066 486892359 /nfs/dbraw/zinc/89/23/59/486892359.db2.gz IIHPGMZSJGZFEK-UHFFFAOYSA-N 0 0 197.259 1.185 10 0 ADAERN Cc1ccc(C(=O)NC2COC2)s1 87196003 486892465 /nfs/dbraw/zinc/89/24/65/486892465.db2.gz HSPVYOKMSQQUAD-UHFFFAOYSA-N 0 0 197.259 1.185 10 0 ADAERN Cc1cnc(CN(C)CC2CC2)nc1 677676889 486892534 /nfs/dbraw/zinc/89/25/34/486892534.db2.gz WKTNZBYFSQVHKI-UHFFFAOYSA-N 0 0 191.278 1.627 10 0 ADAERN CCCC[C@H](CC)C(=O)NC1COC1 87196104 486892537 /nfs/dbraw/zinc/89/25/37/486892537.db2.gz NGEVYDICAVHPRH-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN O=C(NC1COC1)C1CCCCCC1 87196078 486892543 /nfs/dbraw/zinc/89/25/43/486892543.db2.gz JAXHEPWYSYPEMK-UHFFFAOYSA-N 0 0 197.278 1.472 10 0 ADAERN CCCC[C@@H](CC)C(=O)NC1COC1 87196103 486892562 /nfs/dbraw/zinc/89/25/62/486892562.db2.gz NGEVYDICAVHPRH-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CCC[C@@H]1CCC(=O)N(CCC)C1=O 677656286 486892620 /nfs/dbraw/zinc/89/26/20/486892620.db2.gz AGAXUHGJDFZAFD-SECBINFHSA-N 0 0 197.278 1.962 10 0 ADAERN O=C(CC1CCCCC1)NC1COC1 87195972 486892656 /nfs/dbraw/zinc/89/26/56/486892656.db2.gz FJRIQHXHIJTOQF-UHFFFAOYSA-N 0 0 197.278 1.472 10 0 ADAERN CCCN(C)Cc1ncc(C)cn1 677681112 486892729 /nfs/dbraw/zinc/89/27/29/486892729.db2.gz FBQPWAWJPUSDGV-UHFFFAOYSA-N 0 0 179.267 1.627 10 0 ADAERN Cc1ccccc1C(=O)NC1COC1 87196029 486892745 /nfs/dbraw/zinc/89/27/45/486892745.db2.gz DVUVLIQVLFKRJK-UHFFFAOYSA-N 0 0 191.230 1.124 10 0 ADAERN CC[C@H](C)CN1C(=O)[C@H]2C[C@H]2C1=O 677656096 486892754 /nfs/dbraw/zinc/89/27/54/486892754.db2.gz YJFQAMZZTPMMOA-BIIVOSGPSA-N 0 0 181.235 1.037 10 0 ADAERN Cc1cccc(C(=O)NC2COC2)c1 87196030 486892799 /nfs/dbraw/zinc/89/27/99/486892799.db2.gz ZPOLSJJDWAIFEE-UHFFFAOYSA-N 0 0 191.230 1.124 10 0 ADAERN O=C(CC1CCCC1)NC1COC1 87196067 486892806 /nfs/dbraw/zinc/89/28/06/486892806.db2.gz XYBIZXLBBMKSGF-UHFFFAOYSA-N 0 0 183.251 1.082 10 0 ADAERN CCC[C@H]1CCC(=O)N(CCC)C1=O 677656287 486893092 /nfs/dbraw/zinc/89/30/92/486893092.db2.gz AGAXUHGJDFZAFD-VIFPVBQESA-N 0 0 197.278 1.962 10 0 ADAERN CCN(Cc1ncc(C)cn1)C1CC1 677677004 486893218 /nfs/dbraw/zinc/89/32/18/486893218.db2.gz WQYPGBZSRVQDPD-UHFFFAOYSA-N 0 0 191.278 1.769 10 0 ADAERN CC[C@@H](C)CN1C(=O)[C@H]2C[C@H]2C1=O 677656098 486893276 /nfs/dbraw/zinc/89/32/76/486893276.db2.gz YJFQAMZZTPMMOA-PRJMDXOYSA-N 0 0 181.235 1.037 10 0 ADAERN CC1(C(=O)NC2COC2)CCCC1 87317538 486893353 /nfs/dbraw/zinc/89/33/53/486893353.db2.gz FBNNICSGKJKWRJ-UHFFFAOYSA-N 0 0 183.251 1.082 10 0 ADAERN CCN(CC(C)=O)Cc1ccccn1 87332361 486893647 /nfs/dbraw/zinc/89/36/47/486893647.db2.gz CDDSZMMNVJIKTP-UHFFFAOYSA-N 0 0 192.262 1.493 10 0 ADAERN CCC1(C(=O)NC2COC2)CCCC1 87317540 486893728 /nfs/dbraw/zinc/89/37/28/486893728.db2.gz RIXZHGQSEQGWQQ-UHFFFAOYSA-N 0 0 197.278 1.472 10 0 ADAERN CCCN1CCOC[C@H]1C(F)(F)F 677727751 486895219 /nfs/dbraw/zinc/89/52/19/486895219.db2.gz XERBDYHWMARHKO-ZETCQYMHSA-N 0 0 197.200 1.660 10 0 ADAERN CCCN1CCOC[C@@H]1C(F)(F)F 677727750 486895161 /nfs/dbraw/zinc/89/51/61/486895161.db2.gz XERBDYHWMARHKO-SSDOTTSWSA-N 0 0 197.200 1.660 10 0 ADAERN COCCN1CCC[C@H]1C(F)F 677737055 486895617 /nfs/dbraw/zinc/89/56/17/486895617.db2.gz NNWXUVLQLUGBDJ-ZETCQYMHSA-N 0 0 179.210 1.362 10 0 ADAERN COCCCN1CCC[C@H]1C(F)F 677737967 486896961 /nfs/dbraw/zinc/89/69/61/486896961.db2.gz SSRUFSUNCAGPDV-QMMMGPOBSA-N 0 0 193.237 1.752 10 0 ADAERN OCCCN1CCC[C@H]1C(F)F 677737523 486897773 /nfs/dbraw/zinc/89/77/73/486897773.db2.gz HLVGJZGWJWCMGV-ZETCQYMHSA-N 0 0 179.210 1.098 10 0 ADAERN CC1(NC(=O)c2ccnnc2)CCC1 677792110 486898995 /nfs/dbraw/zinc/89/89/95/486898995.db2.gz WTBWCNFTYCTKHP-UHFFFAOYSA-N 0 0 191.234 1.149 10 0 ADAERN c1cnnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 87689645 486900177 /nfs/dbraw/zinc/90/01/77/486900177.db2.gz AYNHJSHUCWDZLF-HLTSFMKQSA-N 0 0 191.234 1.208 10 0 ADAERN CC(C)CCCNC(=O)C1CC(=O)C1 677949365 486909438 /nfs/dbraw/zinc/90/94/38/486909438.db2.gz QZYKLQLVDFVIBL-UHFFFAOYSA-N 0 0 197.278 1.518 10 0 ADAERN Cc1cc(CNCCF)on1 87775015 486901668 /nfs/dbraw/zinc/90/16/68/486901668.db2.gz JIPOFEBWPHXGIR-UHFFFAOYSA-N 0 0 158.176 1.042 10 0 ADAERN Cc1nsc(N[C@@H]2CCOC2)n1 87787743 486903897 /nfs/dbraw/zinc/90/38/97/486903897.db2.gz YWKSQKJRNWINLW-ZCFIWIBFSA-N 0 0 185.252 1.047 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 87908344 486904293 /nfs/dbraw/zinc/90/42/93/486904293.db2.gz HQUSUFASFOKDDT-CIUDSAMLSA-N 0 0 185.267 1.469 10 0 ADAERN CC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C)O1 87908343 486904568 /nfs/dbraw/zinc/90/45/68/486904568.db2.gz HQUSUFASFOKDDT-VGMNWLOBSA-N 0 0 185.267 1.469 10 0 ADAERN Cc1[nH]nc(C(C)C)c1C(=O)N(C)C 677844978 486904839 /nfs/dbraw/zinc/90/48/39/486904839.db2.gz SVHKTBCNNDXVGL-UHFFFAOYSA-N 0 0 195.266 1.543 10 0 ADAERN CCNc1ncnc(NCC)c1C 87807424 486904937 /nfs/dbraw/zinc/90/49/37/486904937.db2.gz VRBWMRZBHGFCRI-UHFFFAOYSA-N 0 0 180.255 1.649 10 0 ADAERN c1cnnc(N2CC[C@@H](C3CC3)C2)c1 677883142 486905216 /nfs/dbraw/zinc/90/52/16/486905216.db2.gz LHZOMZNCCVFUEY-SNVBAGLBSA-N 0 0 189.262 1.713 10 0 ADAERN c1cnnc(N2CC[C@H](C3CC3)C2)c1 677883132 486905723 /nfs/dbraw/zinc/90/57/23/486905723.db2.gz LHZOMZNCCVFUEY-JTQLQIEISA-N 0 0 189.262 1.713 10 0 ADAERN CN(CC(F)F)CC1(O)CCC1 677889315 486906344 /nfs/dbraw/zinc/90/63/44/486906344.db2.gz XKZCGCORGVOFEE-UHFFFAOYSA-N 0 0 179.210 1.098 10 0 ADAERN CCOCCCC(=O)NC1CC1 88046587 486906923 /nfs/dbraw/zinc/90/69/23/486906923.db2.gz DUXMXTXWYCSBKN-UHFFFAOYSA-N 0 0 171.240 1.082 10 0 ADAERN CCOCCCC(=O)N1CCCCC1 88046575 486906952 /nfs/dbraw/zinc/90/69/52/486906952.db2.gz CTMVOYZLPPZIFJ-UHFFFAOYSA-N 0 0 199.294 1.816 10 0 ADAERN CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1CC1(C)C 677920937 486907411 /nfs/dbraw/zinc/90/74/11/486907411.db2.gz ZKTLRZADBYINCK-DJLDLDEBSA-N 0 0 199.294 1.308 10 0 ADAERN CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CC1(C)C 677920938 486907613 /nfs/dbraw/zinc/90/76/13/486907613.db2.gz ZKTLRZADBYINCK-YIZRAAEISA-N 0 0 199.294 1.308 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)NCCc1ccc[nH]1 677946583 486908352 /nfs/dbraw/zinc/90/83/52/486908352.db2.gz HYVDTAPEEJHUBS-PSASIEDQSA-N 0 0 192.262 1.329 10 0 ADAERN C[C@H]1C[C@H]1C(=O)NCCc1ccc[nH]1 677946588 486908427 /nfs/dbraw/zinc/90/84/27/486908427.db2.gz HYVDTAPEEJHUBS-WCBMZHEXSA-N 0 0 192.262 1.329 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NCCc1ccc[nH]1 677946589 486908520 /nfs/dbraw/zinc/90/85/20/486908520.db2.gz HYVDTAPEEJHUBS-WPRPVWTQSA-N 0 0 192.262 1.329 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)NCCc1ccc[nH]1 677946585 486908559 /nfs/dbraw/zinc/90/85/59/486908559.db2.gz HYVDTAPEEJHUBS-SCZZXKLOSA-N 0 0 192.262 1.329 10 0 ADAERN CCCC(=O)Nc1cnccc1CO 677947163 486908631 /nfs/dbraw/zinc/90/86/31/486908631.db2.gz SZLRERAUWDBFPO-UHFFFAOYSA-N 0 0 194.234 1.313 10 0 ADAERN CC[C@H](C)C(=O)NCCc1ccc[nH]1 677946913 486908757 /nfs/dbraw/zinc/90/87/57/486908757.db2.gz ZRSCESOSWBSKOW-VIFPVBQESA-N 0 0 194.278 1.720 10 0 ADAERN CC[C@@H](C)C(=O)NCCc1ccc[nH]1 677946912 486908770 /nfs/dbraw/zinc/90/87/70/486908770.db2.gz ZRSCESOSWBSKOW-SECBINFHSA-N 0 0 194.278 1.720 10 0 ADAERN CC(C)CC(=O)NCCc1ccc[nH]1 677946708 486908842 /nfs/dbraw/zinc/90/88/42/486908842.db2.gz RDAUSLZTYHKZJL-UHFFFAOYSA-N 0 0 194.278 1.720 10 0 ADAERN O=C(NCCc1ccc[nH]1)C1CCC1 677946620 486908884 /nfs/dbraw/zinc/90/88/84/486908884.db2.gz JBRBLVSVMNKOCF-UHFFFAOYSA-N 0 0 192.262 1.474 10 0 ADAERN CC(C)(C)C(=O)NCCc1ccc[nH]1 677946707 486908955 /nfs/dbraw/zinc/90/89/55/486908955.db2.gz QYUPPAYENOHRKI-UHFFFAOYSA-N 0 0 194.278 1.720 10 0 ADAERN CCCCC(=O)NCCc1ccc[nH]1 677946714 486909113 /nfs/dbraw/zinc/90/91/13/486909113.db2.gz RJCKEDWVPLLKPY-UHFFFAOYSA-N 0 0 194.278 1.864 10 0 ADAERN CCCNC(=O)c1ccncc1CC 677948059 486909513 /nfs/dbraw/zinc/90/95/13/486909513.db2.gz HEJVGYIHQVVAHY-UHFFFAOYSA-N 0 0 192.262 1.784 10 0 ADAERN CCC(C)(CC)NC(=O)C1CC(=O)C1 677951009 486909630 /nfs/dbraw/zinc/90/96/30/486909630.db2.gz IIFBYQWPJITVCP-UHFFFAOYSA-N 0 0 197.278 1.660 10 0 ADAERN CC[C@@H](C)C(=O)NCc1ccn(C)n1 677975527 486910842 /nfs/dbraw/zinc/91/08/42/486910842.db2.gz QJIBBXCIEOWSKG-MRVPVSSYSA-N 0 0 195.266 1.082 10 0 ADAERN CC(C)CC(=O)NCc1ccn(C)n1 677969728 486910997 /nfs/dbraw/zinc/91/09/97/486910997.db2.gz ZVOJCOMHKUJFNX-UHFFFAOYSA-N 0 0 195.266 1.082 10 0 ADAERN CCOCCCn1cc(C)nn1 94148320 486911776 /nfs/dbraw/zinc/91/17/76/486911776.db2.gz GRHPRFLGMFYRIJ-UHFFFAOYSA-N 0 0 169.228 1.013 10 0 ADAERN COCCCC(=O)NCC(C)C 88242860 486911118 /nfs/dbraw/zinc/91/11/18/486911118.db2.gz CRFODCYTALODAY-UHFFFAOYSA-N 0 0 173.256 1.185 10 0 ADAERN CCCCC(=O)NCc1ccn(C)n1 677975489 486911335 /nfs/dbraw/zinc/91/13/35/486911335.db2.gz PPTVKKFFUPEDJM-UHFFFAOYSA-N 0 0 195.266 1.227 10 0 ADAERN CC[C@H](C)C(=O)NCc1ccn(C)n1 677975528 486911561 /nfs/dbraw/zinc/91/15/61/486911561.db2.gz QJIBBXCIEOWSKG-QMMMGPOBSA-N 0 0 195.266 1.082 10 0 ADAERN Cc1cn(Cc2csc(C)n2)nn1 93500465 486911768 /nfs/dbraw/zinc/91/17/68/486911768.db2.gz GYOXVBLPWRTMEI-UHFFFAOYSA-N 0 0 194.263 1.400 10 0 ADAERN Cc1cn(CCc2cscn2)nn1 93574431 486911863 /nfs/dbraw/zinc/91/18/63/486911863.db2.gz FEBIQWSBAAXUIO-UHFFFAOYSA-N 0 0 194.263 1.286 10 0 ADAERN Cc1cn(Cc2scnc2C)nn1 93498191 486911814 /nfs/dbraw/zinc/91/18/14/486911814.db2.gz CGZNSGPJHNRDCI-UHFFFAOYSA-N 0 0 194.263 1.400 10 0 ADAERN Cc1cn(Cc2cnccc2C)nn1 93527083 486911869 /nfs/dbraw/zinc/91/18/69/486911869.db2.gz SVZTUNDVUVLXAV-UHFFFAOYSA-N 0 0 188.234 1.338 10 0 ADAERN Cc1cc(OCC2(C)COC2)nn1C 678030557 486911904 /nfs/dbraw/zinc/91/19/04/486911904.db2.gz CIMWHQQBNOLAOV-UHFFFAOYSA-N 0 0 196.250 1.144 10 0 ADAERN COCCCCOc1cc(C)n(C)n1 678030172 486911923 /nfs/dbraw/zinc/91/19/23/486911923.db2.gz ISVUUTJHXNBLQB-UHFFFAOYSA-N 0 0 198.266 1.534 10 0 ADAERN C[C@@H]1CN(c2cccnn2)CC[C@H]1C 678007188 486911929 /nfs/dbraw/zinc/91/19/29/486911929.db2.gz TZISGGFCESCWAB-NXEZZACHSA-N 0 0 191.278 1.959 10 0 ADAERN C[C@@H](CO)Cn1nnc2ccccc21 677992653 486911955 /nfs/dbraw/zinc/91/19/55/486911955.db2.gz BLRSSODFZNVCHB-MRVPVSSYSA-N 0 0 191.234 1.060 10 0 ADAERN Cc1cc(OCc2ccno2)nn1C 678032136 486912008 /nfs/dbraw/zinc/91/20/08/486912008.db2.gz UFRCOBSUSSJYME-UHFFFAOYSA-N 0 0 193.206 1.296 10 0 ADAERN C[C@H]1CCN(c2cccnn2)C[C@@H]1C 678007189 486912047 /nfs/dbraw/zinc/91/20/47/486912047.db2.gz TZISGGFCESCWAB-UWVGGRQHSA-N 0 0 191.278 1.959 10 0 ADAERN CCOCCCOc1cc(C)n(C)n1 678029722 486912074 /nfs/dbraw/zinc/91/20/74/486912074.db2.gz FCVPDDYQBGOMIW-UHFFFAOYSA-N 0 0 198.266 1.534 10 0 ADAERN Cc1cc(OCCC(C)(C)O)nn1C 678032236 486912215 /nfs/dbraw/zinc/91/22/15/486912215.db2.gz XIHJIAKSXLNUDX-UHFFFAOYSA-N 0 0 198.266 1.268 10 0 ADAERN Cc1cn(CC2CCOCC2)nn1 93726145 486912226 /nfs/dbraw/zinc/91/22/26/486912226.db2.gz CSFAROYSKOHOQK-UHFFFAOYSA-N 0 0 181.239 1.013 10 0 ADAERN C[C@H]1CCN(c2cccnn2)C[C@H]1C 678007190 486912360 /nfs/dbraw/zinc/91/23/60/486912360.db2.gz TZISGGFCESCWAB-VHSXEESVSA-N 0 0 191.278 1.959 10 0 ADAERN C[C@@H]1CCN(c2cccnn2)C[C@@H]1C 678007191 486912401 /nfs/dbraw/zinc/91/24/01/486912401.db2.gz TZISGGFCESCWAB-ZJUUUORDSA-N 0 0 191.278 1.959 10 0 ADAERN Cc1cn(Cc2cncs2)nn1 93569526 486912503 /nfs/dbraw/zinc/91/25/03/486912503.db2.gz NSAFDNXCCJOHSG-UHFFFAOYSA-N 0 0 180.236 1.091 10 0 ADAERN C[C@H](CO)Cn1nnc2ccccc21 677992666 486912608 /nfs/dbraw/zinc/91/26/08/486912608.db2.gz BLRSSODFZNVCHB-QMMMGPOBSA-N 0 0 191.234 1.060 10 0 ADAERN CCCCCN1C(=O)CC(C)CC1=O 678029950 486912691 /nfs/dbraw/zinc/91/26/91/486912691.db2.gz GRVJUOHPJBJWOE-UHFFFAOYSA-N 0 0 197.278 1.962 10 0 ADAERN CCc1cnc(Cn2cc(C)nn2)o1 94206069 486912897 /nfs/dbraw/zinc/91/28/97/486912897.db2.gz AWWHRWFXIFJEQR-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN CCCCC(=O)Nc1nccn1C 96562889 486913246 /nfs/dbraw/zinc/91/32/46/486913246.db2.gz PGNPMKPDGNROPG-UHFFFAOYSA-N 0 0 181.239 1.549 10 0 ADAERN CCC(CC)C(=O)Nc1nccn1C 96562890 486913352 /nfs/dbraw/zinc/91/33/52/486913352.db2.gz FELZJDVKQXXGLI-UHFFFAOYSA-N 0 0 195.266 1.795 10 0 ADAERN CCCC(=O)Nc1nccn1C 96562888 486913404 /nfs/dbraw/zinc/91/34/04/486913404.db2.gz OVCQDDXUKOWCPI-UHFFFAOYSA-N 0 0 167.212 1.159 10 0 ADAERN NC(=O)c1scnc1C(F)(F)F 96749252 486913998 /nfs/dbraw/zinc/91/39/98/486913998.db2.gz IFXCBDGKVMBEKP-UHFFFAOYSA-N 0 0 196.153 1.261 10 0 ADAERN C[C@@H](CO)CN(C)c1cccc(O)c1 678045454 486914400 /nfs/dbraw/zinc/91/44/00/486914400.db2.gz BOKBRHOSZDBGEN-SECBINFHSA-N 0 0 195.262 1.457 10 0 ADAERN C[C@@H](CO)CN1CCC[C@H]1C(F)F 678046341 486914532 /nfs/dbraw/zinc/91/45/32/486914532.db2.gz SCTDEMDNFZFYFM-SFYZADRCSA-N 0 0 193.237 1.344 10 0 ADAERN C[C@H](CO)CN(C)c1cccc(O)c1 678045465 486914616 /nfs/dbraw/zinc/91/46/16/486914616.db2.gz BOKBRHOSZDBGEN-VIFPVBQESA-N 0 0 195.262 1.457 10 0 ADAERN Cc1noc(C)c1N(C)C[C@H](C)CO 678046727 486914686 /nfs/dbraw/zinc/91/46/86/486914686.db2.gz QTUYEMDYNIRXPJ-ZETCQYMHSA-N 0 0 198.266 1.356 10 0 ADAERN C[C@H](CO)CN1CCC[C@H]1C(F)F 678046342 486914699 /nfs/dbraw/zinc/91/46/99/486914699.db2.gz SCTDEMDNFZFYFM-YUMQZZPRSA-N 0 0 193.237 1.344 10 0 ADAERN O=NCc1c[nH]c2ccccc12 100447649 486914870 /nfs/dbraw/zinc/91/48/70/486914870.db2.gz HFNHXOHLZXORGW-VOTSOKGWSA-N 0 0 160.176 1.722 10 0 in-vitro ADAERN Cc1noc(C)c1N(C)C[C@@H](C)CO 678046725 486914947 /nfs/dbraw/zinc/91/49/47/486914947.db2.gz QTUYEMDYNIRXPJ-SSDOTTSWSA-N 0 0 198.266 1.356 10 0 ADAERN CC(=O)C[C@@H](C)NC(=O)C1CC(C)C1 678050212 486915204 /nfs/dbraw/zinc/91/52/04/486915204.db2.gz FYXVXXYCJUKGAU-CCNFQMFXSA-N 0 0 197.278 1.516 10 0 ADAERN CC(=O)C[C@H](C)NC(=O)C1CC(C)C1 678050213 486915283 /nfs/dbraw/zinc/91/52/83/486915283.db2.gz FYXVXXYCJUKGAU-ZCUBBSJVSA-N 0 0 197.278 1.516 10 0 ADAERN CC1CC(C(=O)NC2(CO)CCC2)C1 678094441 486916386 /nfs/dbraw/zinc/91/63/86/486916386.db2.gz YJDMUSPTISWYOT-UHFFFAOYSA-N 0 0 197.278 1.064 10 0 ADAERN CCC(C)(C)CC(=O)NC1(CO)CC1 678090442 486916553 /nfs/dbraw/zinc/91/65/53/486916553.db2.gz ZRAWHIVWZSYWAR-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN CCC(CC)CC(=O)NC1(CO)CC1 678090151 486916570 /nfs/dbraw/zinc/91/65/70/486916570.db2.gz QGVWSYNFLLFGLK-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN C[C@H](O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 678064842 486916620 /nfs/dbraw/zinc/91/66/20/486916620.db2.gz XRQWCQWBVGQDPU-GUBZILKMSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@H](O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 678064843 486916825 /nfs/dbraw/zinc/91/68/25/486916825.db2.gz XRQWCQWBVGQDPU-IVZWLZJFSA-N 0 0 197.278 1.016 10 0 ADAERN O=C(CCC1CCC1)NC1(CO)CC1 678089885 486916877 /nfs/dbraw/zinc/91/68/77/486916877.db2.gz OGCWFNGJYXIMIQ-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN CN1/C(=C\N=O)C(C)(C)N(O)C1(C)C 103558938 486917149 /nfs/dbraw/zinc/91/71/49/486917149.db2.gz SLZDRRQDVAOSBS-SREVYHEPSA-N 0 0 198.246 1.702 10 0 ADAERN CC(C)Oc1cccc(OCCO)c1 678121269 486918777 /nfs/dbraw/zinc/91/87/77/486918777.db2.gz AXUUDOKZYKRERZ-UHFFFAOYSA-N 0 0 196.246 1.845 10 0 ADAERN CN(Cc1cc[nH]n1)Cc1ccco1 678124217 486918990 /nfs/dbraw/zinc/91/89/90/486918990.db2.gz UBDBCFANRXYYRS-UHFFFAOYSA-N 0 0 191.234 1.635 10 0 ADAERN CCC(C)(CC)NC(N)=O 104571632 486919110 /nfs/dbraw/zinc/91/91/10/486919110.db2.gz UQNMGFCOYWCTQG-UHFFFAOYSA-N 0 0 144.218 1.233 10 0 ADAERN CCSc1ccc(CC(N)=O)cc1 105903045 486919803 /nfs/dbraw/zinc/91/98/03/486919803.db2.gz ARJNGHYUHYWXRU-UHFFFAOYSA-N 0 0 195.287 1.826 10 0 ADAERN Cc1cc(N(C)[C@H](C)C(=O)[O-])cc[nH+]1 107182935 486920636 /nfs/dbraw/zinc/92/06/36/486920636.db2.gz XNFMTWMCRFYABN-MRVPVSSYSA-N 0 0 194.234 1.299 10 0 ADAERN CC(=O)N1CC[C@H](C)[C@@H](F)C1 107259259 486921268 /nfs/dbraw/zinc/92/12/68/486921268.db2.gz JJACBQUBQRLCKY-XPUUQOCRSA-N 0 0 159.204 1.213 10 0 ADAERN CC(=O)N1CC[C@@H](C)[C@@H](F)C1 107259256 486921404 /nfs/dbraw/zinc/92/14/04/486921404.db2.gz JJACBQUBQRLCKY-SVRRBLITSA-N 0 0 159.204 1.213 10 0 ADAERN CC(=O)N1CC[C@H](C)[C@H](F)C1 107259263 486921523 /nfs/dbraw/zinc/92/15/23/486921523.db2.gz JJACBQUBQRLCKY-POYBYMJQSA-N 0 0 159.204 1.213 10 0 ADAERN CC(=O)N1CC[C@@H](C)[C@H](F)C1 107259261 486921583 /nfs/dbraw/zinc/92/15/83/486921583.db2.gz JJACBQUBQRLCKY-HTRCEHHLSA-N 0 0 159.204 1.213 10 0 ADAERN CN(Cc1csnn1)CC1CC1 678192227 486924445 /nfs/dbraw/zinc/92/44/45/486924445.db2.gz FSPULVSEZBHKMD-UHFFFAOYSA-N 0 0 183.280 1.380 10 0 ADAERN NC(=O)CCCC(F)(F)F 113693960 486925117 /nfs/dbraw/zinc/92/51/17/486925117.db2.gz FYLZPFSWVMMCQC-UHFFFAOYSA-N 0 0 155.119 1.204 10 0 ADAERN CN(Cc1cn[nH]c1)Cc1ccoc1 678210857 486925346 /nfs/dbraw/zinc/92/53/46/486925346.db2.gz ZSHHBZYSHCGNRP-UHFFFAOYSA-N 0 0 191.234 1.635 10 0 ADAERN NC(=O)CC1CCC(F)(F)CC1 114866712 486925489 /nfs/dbraw/zinc/92/54/89/486925489.db2.gz PFZKIFFJXNDAMB-UHFFFAOYSA-N 0 0 177.194 1.687 10 0 ADAERN CN(Cc1ccoc1)Cc1cc[nH]n1 678209951 486925708 /nfs/dbraw/zinc/92/57/08/486925708.db2.gz CJUICSSFGAYMOI-UHFFFAOYSA-N 0 0 191.234 1.635 10 0 ADAERN CCCCN(C)C(=O)NC 114935647 486925871 /nfs/dbraw/zinc/92/58/71/486925871.db2.gz BQUYMOZXZQJWQX-UHFFFAOYSA-N 0 0 144.218 1.058 10 0 ADAERN CCOCCOc1c(C)nn(C)c1C 678198457 486926243 /nfs/dbraw/zinc/92/62/43/486926243.db2.gz CTQDVSYMIKFHND-UHFFFAOYSA-N 0 0 198.266 1.452 10 0 ADAERN CCCC(C)(C)CC(N)=O 116568952 486926517 /nfs/dbraw/zinc/92/65/17/486926517.db2.gz RHQMKOHWECETJG-UHFFFAOYSA-N 0 0 143.230 1.688 10 0 ADAERN CO[C@H](C(N)=O)C1CCCCC1 116880208 486927587 /nfs/dbraw/zinc/92/75/87/486927587.db2.gz WTRZJKKBNMRGDN-QMMMGPOBSA-N 0 0 171.240 1.067 10 0 ADAERN CO[C@@H](C(N)=O)C1CCCCC1 116880210 486927615 /nfs/dbraw/zinc/92/76/15/486927615.db2.gz WTRZJKKBNMRGDN-MRVPVSSYSA-N 0 0 171.240 1.067 10 0 ADAERN CCCCCn1nnnc1C 117997613 486927764 /nfs/dbraw/zinc/92/77/64/486927764.db2.gz CWPDBQHIZFPDHI-UHFFFAOYSA-N 0 0 154.217 1.172 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1ncccc1F 122071678 486930240 /nfs/dbraw/zinc/93/02/40/486930240.db2.gz KIMMSDLOJWZYHZ-SFYZADRCSA-N 0 0 198.241 1.650 10 0 ADAERN C[C@H](Nc1ncccc1F)[C@@H](C)CO 122071512 486930316 /nfs/dbraw/zinc/93/03/16/486930316.db2.gz KIMMSDLOJWZYHZ-YUMQZZPRSA-N 0 0 198.241 1.650 10 0 ADAERN C[C@H]1COC[C@H](C)N1Cc1cn[nH]c1 678277108 486930482 /nfs/dbraw/zinc/93/04/82/486930482.db2.gz QUDMQCQUOOPMBC-IUCAKERBSA-N 0 0 195.266 1.019 10 0 ADAERN CCOC[C@H](C)NC(=O)N(C)CC 122070988 486930664 /nfs/dbraw/zinc/93/06/64/486930664.db2.gz GHEMBKMMMHFSRW-QMMMGPOBSA-N 0 0 188.271 1.073 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1ncccc1F 122071349 486930674 /nfs/dbraw/zinc/93/06/74/486930674.db2.gz KIMMSDLOJWZYHZ-HTQZYQBOSA-N 0 0 198.241 1.650 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1ncccc1F 122071212 486930929 /nfs/dbraw/zinc/93/09/29/486930929.db2.gz KIMMSDLOJWZYHZ-JGVFFNPUSA-N 0 0 198.241 1.650 10 0 ADAERN C[C@@H]1COC[C@@H](C)N1Cc1cn[nH]c1 678277109 486931094 /nfs/dbraw/zinc/93/10/94/486931094.db2.gz QUDMQCQUOOPMBC-RKDXNWHRSA-N 0 0 195.266 1.019 10 0 ADAERN CN(Cc1cc[nH]n1)Cc1ccc[nH]1 678294292 486931102 /nfs/dbraw/zinc/93/11/02/486931102.db2.gz FUZYOHVYXYCWPN-UHFFFAOYSA-N 0 0 190.250 1.370 10 0 ADAERN C[C@H]1COC[C@@H](C)N1Cc1cn[nH]c1 678277106 486931270 /nfs/dbraw/zinc/93/12/70/486931270.db2.gz QUDMQCQUOOPMBC-DTORHVGOSA-N 0 0 195.266 1.019 10 0 ADAERN Cc1nc(CNC2(CO)CC2)cs1 122232590 486931413 /nfs/dbraw/zinc/93/14/13/486931413.db2.gz JBEMWUVYVKFEEP-UHFFFAOYSA-N 0 0 198.291 1.066 10 0 ADAERN CN(Cc1cn[nH]c1)Cc1ccc[nH]1 678294331 486931415 /nfs/dbraw/zinc/93/14/15/486931415.db2.gz IMKRXTDYMOWSTR-UHFFFAOYSA-N 0 0 190.250 1.370 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1ncc(F)cn1 122311124 486931635 /nfs/dbraw/zinc/93/16/35/486931635.db2.gz VFOGZIWMWRYOOQ-ZCFIWIBFSA-N 0 0 199.229 1.187 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1ncccn1 122308908 486931644 /nfs/dbraw/zinc/93/16/44/486931644.db2.gz JOUOVTHONOQRBQ-SSDOTTSWSA-N 0 0 181.239 1.048 10 0 ADAERN C[C@H](O)C(C)(C)Nc1ncccn1 122308650 486931684 /nfs/dbraw/zinc/93/16/84/486931684.db2.gz JOUOVTHONOQRBQ-ZETCQYMHSA-N 0 0 181.239 1.048 10 0 ADAERN Cc1cc(NC(C)(C)[C@H](C)O)ncn1 122310237 486931733 /nfs/dbraw/zinc/93/17/33/486931733.db2.gz YFMIURCFHIHUDS-QMMMGPOBSA-N 0 0 195.266 1.356 10 0 ADAERN C[C@H](O)C(C)(C)Nc1ncc(F)cn1 122310846 486931845 /nfs/dbraw/zinc/93/18/45/486931845.db2.gz VFOGZIWMWRYOOQ-LURJTMIESA-N 0 0 199.229 1.187 10 0 ADAERN Cc1cc(NC(C)(C)[C@@H](C)O)ncn1 122310006 486931874 /nfs/dbraw/zinc/93/18/74/486931874.db2.gz YFMIURCFHIHUDS-MRVPVSSYSA-N 0 0 195.266 1.356 10 0 ADAERN CC(C)CC(=O)NC(C)(C)[C@H](C)O 122425808 486932536 /nfs/dbraw/zinc/93/25/36/486932536.db2.gz JQVYAUVQPCXAGW-QMMMGPOBSA-N 0 0 187.283 1.308 10 0 ADAERN CC(C)CC(=O)NC(C)(C)[C@@H](C)O 122425562 486932888 /nfs/dbraw/zinc/93/28/88/486932888.db2.gz JQVYAUVQPCXAGW-MRVPVSSYSA-N 0 0 187.283 1.308 10 0 ADAERN C1=C[C@H]2CC[C@@H](C1)N2Cc1cc[nH]n1 678342046 486933338 /nfs/dbraw/zinc/93/33/38/486933338.db2.gz OZSBZFOBDDWKNI-WDEREUQCSA-N 0 0 189.262 1.703 10 0 ADAERN CCCN(CC(F)F)[C@H]1CCOC1 678350062 486934144 /nfs/dbraw/zinc/93/41/44/486934144.db2.gz QYSFYYKNNORLSC-QMMMGPOBSA-N 0 0 193.237 1.752 10 0 ADAERN CCCN(CC(F)F)[C@@H]1CCOC1 678350061 486934945 /nfs/dbraw/zinc/93/49/45/486934945.db2.gz QYSFYYKNNORLSC-MRVPVSSYSA-N 0 0 193.237 1.752 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)Nc1cnoc1 678356834 486935284 /nfs/dbraw/zinc/93/52/84/486935284.db2.gz AQLPGSROIYOTJV-POYBYMJQSA-N 0 0 196.206 1.038 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)Nc1cnoc1 678356836 486935312 /nfs/dbraw/zinc/93/53/12/486935312.db2.gz AQLPGSROIYOTJV-XPUUQOCRSA-N 0 0 196.206 1.038 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)Nc1cnoc1 678356833 486935363 /nfs/dbraw/zinc/93/53/63/486935363.db2.gz AQLPGSROIYOTJV-HTRCEHHLSA-N 0 0 196.206 1.038 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC1(C)C 678355752 486935473 /nfs/dbraw/zinc/93/54/73/486935473.db2.gz OXWDBJGHSOYIGE-XHNCKOQMSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C 678354310 486935512 /nfs/dbraw/zinc/93/55/12/486935512.db2.gz BUGSQNXHAYVJPP-KYXWUPHJSA-N 0 0 197.278 1.184 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C 678354314 486935519 /nfs/dbraw/zinc/93/55/19/486935519.db2.gz BUGSQNXHAYVJPP-ZYUZMQFOSA-N 0 0 197.278 1.184 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC1(C)C 678355751 486935522 /nfs/dbraw/zinc/93/55/22/486935522.db2.gz OXWDBJGHSOYIGE-DJLDLDEBSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)Nc1cnoc1 678356835 486935626 /nfs/dbraw/zinc/93/56/26/486935626.db2.gz 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/nfs/dbraw/zinc/94/04/97/486940497.db2.gz DEALGUPXASKGKI-UHFFFAOYSA-N 0 0 192.262 1.474 10 0 ADAERN CNC(=O)CNc1c(C)cccc1F 135237807 486942989 /nfs/dbraw/zinc/94/29/89/486942989.db2.gz JFGCGZKIJPMUMG-UHFFFAOYSA-N 0 0 196.225 1.292 10 0 ADAERN Cc1cc(N[C@@H]2CCO[C@@H]2C)ncn1 134573351 486943043 /nfs/dbraw/zinc/94/30/43/486943043.db2.gz ZURGYQDQPJMVOL-RKDXNWHRSA-N 0 0 193.250 1.374 10 0 ADAERN Cc1nccc(N[C@@H]2CCO[C@@H]2C)n1 134570054 486943080 /nfs/dbraw/zinc/94/30/80/486943080.db2.gz NBGRIBSRJATHKW-VXNVDRBHSA-N 0 0 193.250 1.374 10 0 ADAERN CCNc1ncnc(C)c1OC 134782258 486943145 /nfs/dbraw/zinc/94/31/45/486943145.db2.gz YZVKAYQOIXUXJG-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN Cc1noc(CN(C(C)C)C(C)C)n1 678714324 486943581 /nfs/dbraw/zinc/94/35/81/486943581.db2.gz FXXVFPOVQPTCAU-UHFFFAOYSA-N 0 0 197.282 1.997 10 0 ADAERN O=C(NCC[C@@H]1CCCO1)NC1CC1 135910200 486943927 /nfs/dbraw/zinc/94/39/27/486943927.db2.gz XFNBGYPPCWWXRW-VIFPVBQESA-N 0 0 198.266 1.017 10 0 ADAERN 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DZQBQSBCRNLORW-UHFFFAOYSA-N 0 0 197.278 1.017 10 0 ADAERN Cc1cn(CC[C@H]2CCCCO2)nn1 143090023 486948545 /nfs/dbraw/zinc/94/85/45/486948545.db2.gz CLTRRPJWXWKOIT-SNVBAGLBSA-N 0 0 195.266 1.546 10 0 ADAERN CC(=O)NCC(F)(F)C(C)(C)C 142889648 486948571 /nfs/dbraw/zinc/94/85/71/486948571.db2.gz GFMNYNVUSACHIY-UHFFFAOYSA-N 0 0 179.210 1.804 10 0 ADAERN CC(=O)Cn1cc(C(C)(C)C)nn1 142898850 486948722 /nfs/dbraw/zinc/94/87/22/486948722.db2.gz DYPXPCBANQHHCA-UHFFFAOYSA-N 0 0 181.239 1.165 10 0 ADAERN CCCOCC(=O)N1CC[C@H]1C(C)C 678876607 486948728 /nfs/dbraw/zinc/94/87/28/486948728.db2.gz CTIPSOOJNVTMEM-JTQLQIEISA-N 0 0 199.294 1.670 10 0 ADAERN CCC[C@@H](C)C(=O)N1CC(CCO)C1 678870294 486948804 /nfs/dbraw/zinc/94/88/04/486948804.db2.gz ZOGVMCJVRKPION-SECBINFHSA-N 0 0 199.294 1.263 10 0 ADAERN Cc1cn(CC[C@@H]2CCCCO2)nn1 143089831 486948830 /nfs/dbraw/zinc/94/88/30/486948830.db2.gz CLTRRPJWXWKOIT-JTQLQIEISA-N 0 0 195.266 1.546 10 0 ADAERN CC(C)[C@H](C)C(=O)N1CC(CCO)C1 678870389 486948844 /nfs/dbraw/zinc/94/88/44/486948844.db2.gz UCLNUKJKRLQVJK-VIFPVBQESA-N 0 0 199.294 1.119 10 0 ADAERN CC(C)CCC(=O)N1CC(CCO)C1 678870784 486949061 /nfs/dbraw/zinc/94/90/61/486949061.db2.gz LAPANZPUKIRRKX-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN CCC(C)(C)C(=O)N1CC(CCO)C1 678870345 486949073 /nfs/dbraw/zinc/94/90/73/486949073.db2.gz RIFULSSZDOLJDE-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN CCCOCC(=O)N1CC[C@@H]1C(C)C 678876609 486949095 /nfs/dbraw/zinc/94/90/95/486949095.db2.gz CTIPSOOJNVTMEM-SNVBAGLBSA-N 0 0 199.294 1.670 10 0 ADAERN CCC1(C(=O)N2CC(CCO)C2)CC1 678870431 486949200 /nfs/dbraw/zinc/94/92/00/486949200.db2.gz WSLWDKYVXVRJGV-UHFFFAOYSA-N 0 0 197.278 1.017 10 0 ADAERN CC(C)[C@@H](C)C(=O)N1CC(CCO)C1 678870388 486949249 /nfs/dbraw/zinc/94/92/49/486949249.db2.gz UCLNUKJKRLQVJK-SECBINFHSA-N 0 0 199.294 1.119 10 0 ADAERN CC(C)(C)CC(=O)N1CC(CCO)C1 678869733 486949318 /nfs/dbraw/zinc/94/93/18/486949318.db2.gz WLCZHCCZHAWABU-UHFFFAOYSA-N 0 0 199.294 1.263 10 0 ADAERN CCC1=NNC(=O)[C@H]1C(C)C 143329696 486949383 /nfs/dbraw/zinc/94/93/83/486949383.db2.gz DPIPKEZDUMXPQU-ZETCQYMHSA-N 0 0 154.213 1.154 10 0 ADAERN CCC[C@H](C)C(=O)N1CC(CCO)C1 678870295 486949384 /nfs/dbraw/zinc/94/93/84/486949384.db2.gz ZOGVMCJVRKPION-VIFPVBQESA-N 0 0 199.294 1.263 10 0 ADAERN CCC1=NNC(=O)[C@@H]1C(C)C 143329485 486949406 /nfs/dbraw/zinc/94/94/06/486949406.db2.gz DPIPKEZDUMXPQU-SSDOTTSWSA-N 0 0 154.213 1.154 10 0 ADAERN CC(=O)c1cn([C@@H](C)C(C)C)nn1 144127107 486949662 /nfs/dbraw/zinc/94/96/62/486949662.db2.gz RDJFSKOCWHJKHT-ZETCQYMHSA-N 0 0 181.239 1.698 10 0 ADAERN CC(=O)c1cn([C@H](C)C(C)C)nn1 144126944 486949674 /nfs/dbraw/zinc/94/96/74/486949674.db2.gz RDJFSKOCWHJKHT-SSDOTTSWSA-N 0 0 181.239 1.698 10 0 ADAERN CCC(=O)NCCCOC(C)(C)C 143659105 486949680 /nfs/dbraw/zinc/94/96/80/486949680.db2.gz GRZHURQTJZWCOY-UHFFFAOYSA-N 0 0 187.283 1.718 10 0 ADAERN CN(C(=O)Cn1ccnc1)C(C)(C)C 144888208 486950168 /nfs/dbraw/zinc/95/01/68/486950168.db2.gz DMWCYXZPBHNCLB-UHFFFAOYSA-N 0 0 195.266 1.140 10 0 ADAERN CC(C)CCCC(=O)N1CCOCC1 144249087 486950211 /nfs/dbraw/zinc/95/02/11/486950211.db2.gz WUYRUPNTSIBSIQ-UHFFFAOYSA-N 0 0 199.294 1.672 10 0 ADAERN CC(C)N1CC[C@H](O)C(F)(F)C1 144715666 486950312 /nfs/dbraw/zinc/95/03/12/486950312.db2.gz AKZIHBNECWFLAG-ZETCQYMHSA-N 0 0 179.210 1.097 10 0 ADAERN CC(C)CCCC(=O)N(C)C 144279441 486950390 /nfs/dbraw/zinc/95/03/90/486950390.db2.gz PTHCELNZRYCTQY-UHFFFAOYSA-N 0 0 157.257 1.901 10 0 ADAERN CC(C)N1CC[C@@H](O)C(F)(F)C1 144715453 486950517 /nfs/dbraw/zinc/95/05/17/486950517.db2.gz AKZIHBNECWFLAG-SSDOTTSWSA-N 0 0 179.210 1.097 10 0 ADAERN C[C@@H](O)CCNC(=O)[C@H]1CC[C@@H](C)C1 678965385 486950673 /nfs/dbraw/zinc/95/06/73/486950673.db2.gz QPTLQQDSYKTORU-BBBLOLIVSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H](O)CCNC(=O)[C@@H]1CC[C@@H](C)C1 678965387 486950827 /nfs/dbraw/zinc/95/08/27/486950827.db2.gz QPTLQQDSYKTORU-OPRDCNLKSA-N 0 0 199.294 1.310 10 0 ADAERN COCCCCN1CCC(F)(F)C1 678974693 486950900 /nfs/dbraw/zinc/95/09/00/486950900.db2.gz BUAFMTZVZPZQDL-UHFFFAOYSA-N 0 0 193.237 1.754 10 0 ADAERN CCC(CC)n1nc(C(N)=O)cc1C 678957926 486950989 /nfs/dbraw/zinc/95/09/89/486950989.db2.gz AMLWZMWYYAPWLU-UHFFFAOYSA-N 0 0 195.266 1.652 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)NCC[C@@H](C)O)C1 678965386 486951066 /nfs/dbraw/zinc/95/10/66/486951066.db2.gz QPTLQQDSYKTORU-IVZWLZJFSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@H]1CC[C@H](C(=O)NCC[C@@H](C)O)C1 678965384 486951094 /nfs/dbraw/zinc/95/10/94/486951094.db2.gz QPTLQQDSYKTORU-AEJSXWLSSA-N 0 0 199.294 1.310 10 0 ADAERN CC(C)(C)OC[C@H](O)Cn1ccnc1 145454458 486951203 /nfs/dbraw/zinc/95/12/03/486951203.db2.gz ICZSGDJBOCNYQM-SECBINFHSA-N 0 0 198.266 1.059 10 0 ADAERN CC(C)(C)OC[C@@H](O)Cn1ccnc1 145454685 486951350 /nfs/dbraw/zinc/95/13/50/486951350.db2.gz ICZSGDJBOCNYQM-VIFPVBQESA-N 0 0 198.266 1.059 10 0 ADAERN CCC[C@H](C)N1C(=O)N[C@H](CC)C1=O 679123580 486951450 /nfs/dbraw/zinc/95/14/50/486951450.db2.gz HFUGVLPIFBAGDA-JGVFFNPUSA-N 0 0 198.266 1.505 10 0 ADAERN CCC[C@@H](C)N1C(=O)CN(CC)C1=O 679123890 486951472 /nfs/dbraw/zinc/95/14/72/486951472.db2.gz MSAIHTVWBMRKCZ-MRVPVSSYSA-N 0 0 198.266 1.459 10 0 ADAERN CCC[C@@H](C)N1C(=O)N[C@H](CC)C1=O 679123579 486951567 /nfs/dbraw/zinc/95/15/67/486951567.db2.gz HFUGVLPIFBAGDA-HTQZYQBOSA-N 0 0 198.266 1.505 10 0 ADAERN CCC[C@H](C)N1C(=O)CN(CC)C1=O 679123891 486951757 /nfs/dbraw/zinc/95/17/57/486951757.db2.gz MSAIHTVWBMRKCZ-QMMMGPOBSA-N 0 0 198.266 1.459 10 0 ADAERN NC(=O)[C@@H]1CCc2cc(F)ccc21 146394304 486952120 /nfs/dbraw/zinc/95/21/20/486952120.db2.gz FJQYUJUPSTZWSA-SECBINFHSA-N 0 0 179.194 1.341 10 0 ADAERN CS(=O)(=O)CCC1CCC1 146314908 486952151 /nfs/dbraw/zinc/95/21/51/486952151.db2.gz HAWSKVUYKGGPPL-UHFFFAOYSA-N 0 0 162.254 1.221 10 0 ADAERN CCc1nnc2n1CCCCCC2 146530645 486952181 /nfs/dbraw/zinc/95/21/81/486952181.db2.gz PUFNPMJLNRVDMO-UHFFFAOYSA-N 0 0 179.267 1.957 10 0 ADAERN OC[C@@H]1CCc2ncccc2C1 146656630 486952194 /nfs/dbraw/zinc/95/21/94/486952194.db2.gz QJPKUEWDNWXQJL-MRVPVSSYSA-N 0 0 163.220 1.179 10 0 ADAERN 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Cc1nccnc1N[C@@H]1CCO[C@H]1C 214307665 487024836 /nfs/dbraw/zinc/02/48/36/487024836.db2.gz YPDAFCCMVCPLME-DTWKUNHWSA-N 0 0 193.250 1.374 10 0 ADAERN Cc1nccnc1N[C@H]1CCO[C@H]1C 214307723 487024909 /nfs/dbraw/zinc/02/49/09/487024909.db2.gz YPDAFCCMVCPLME-IUCAKERBSA-N 0 0 193.250 1.374 10 0 ADAERN Cc1nccnc1N[C@@H]1CCCOC1 214349218 487024938 /nfs/dbraw/zinc/02/49/38/487024938.db2.gz VAWKQEZNYVILQS-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN Cc1nccnc1N[C@H]1CCO[C@@H]1C 214307615 487025158 /nfs/dbraw/zinc/02/51/58/487025158.db2.gz YPDAFCCMVCPLME-BDAKNGLRSA-N 0 0 193.250 1.374 10 0 ADAERN COCCCCN(C)c1ccn(C)n1 681484165 487025578 /nfs/dbraw/zinc/02/55/78/487025578.db2.gz FNILQRLSKUNJAP-UHFFFAOYSA-N 0 0 197.282 1.283 10 0 ADAERN COC(=O)c1coc2cc(N)ccc12 214622193 487025735 /nfs/dbraw/zinc/02/57/35/487025735.db2.gz SNWABCBUBAEESD-UHFFFAOYSA-N 0 0 191.186 1.802 10 0 ADAERN COc1cc(F)c(CO)c(Cl)c1 214614739 487025747 /nfs/dbraw/zinc/02/57/47/487025747.db2.gz TXAZSVBARVESJE-UHFFFAOYSA-N 0 0 190.601 1.980 10 0 ADAERN COC(=O)c1c[nH]c2c(N)cccc12 214592111 487025753 /nfs/dbraw/zinc/02/57/53/487025753.db2.gz GKUMRYFOYAVTLI-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1ccc([C@H]2C[C@@H]2C(N)=O)cc1 215258654 487025782 /nfs/dbraw/zinc/02/57/82/487025782.db2.gz LELRKEAUUNJRKH-ZJUUUORDSA-N 0 0 175.231 1.584 10 0 ADAERN C/C=C\CNC(=O)CCC 214826899 487026023 /nfs/dbraw/zinc/02/60/23/487026023.db2.gz YUGDPYASPVICBB-HYXAFXHYSA-N 0 0 141.214 1.479 10 0 ADAERN Cc1nc(C(=O)NC[C@H]2C[C@@H]2C)co1 681551090 487026175 /nfs/dbraw/zinc/02/61/75/487026175.db2.gz VGXGNQXHGJJSJA-POYBYMJQSA-N 0 0 194.234 1.369 10 0 ADAERN CC(C)(C)c1cnc(CCC(N)=O)o1 681551248 487026516 /nfs/dbraw/zinc/02/65/16/487026516.db2.gz AJJQDPVRGYSXIF-UHFFFAOYSA-N 0 0 196.250 1.390 10 0 ADAERN Cc1nc(C(=O)NC[C@@H]2C[C@@H]2C)co1 681551092 487026677 /nfs/dbraw/zinc/02/66/77/487026677.db2.gz VGXGNQXHGJJSJA-XPUUQOCRSA-N 0 0 194.234 1.369 10 0 ADAERN Cc1nc(C(=O)NC[C@@H]2C[C@H]2C)co1 681551091 487026559 /nfs/dbraw/zinc/02/65/59/487026559.db2.gz VGXGNQXHGJJSJA-SVRRBLITSA-N 0 0 194.234 1.369 10 0 ADAERN CCCC[C@@](C)(CO)NC(C)=O 215651398 487026586 /nfs/dbraw/zinc/02/65/86/487026586.db2.gz MCHFEFNAEGFRNC-VIFPVBQESA-N 0 0 173.256 1.064 10 0 ADAERN Cc1nc(C(=O)NC[C@H]2C[C@H]2C)co1 681551089 487026682 /nfs/dbraw/zinc/02/66/82/487026682.db2.gz VGXGNQXHGJJSJA-HTRCEHHLSA-N 0 0 194.234 1.369 10 0 ADAERN Cc1nc(C(=O)N(C)CC2CC2)co1 681551892 487026687 /nfs/dbraw/zinc/02/66/87/487026687.db2.gz KPCFQIPZUGOHCS-UHFFFAOYSA-N 0 0 194.234 1.465 10 0 ADAERN CCCC[C@](C)(CO)NC(C)=O 215651446 487026867 /nfs/dbraw/zinc/02/68/67/487026867.db2.gz MCHFEFNAEGFRNC-SECBINFHSA-N 0 0 173.256 1.064 10 0 ADAERN CCOC[C@H](C)NC(=O)[C@@H](C)C1CC1 681690503 487030676 /nfs/dbraw/zinc/03/06/76/487030676.db2.gz DNKWADYTXOWBGN-IUCAKERBSA-N 0 0 199.294 1.574 10 0 ADAERN CCOC[C@H](C)NC(=O)[C@H](C)C1CC1 681690502 487030770 /nfs/dbraw/zinc/03/07/70/487030770.db2.gz DNKWADYTXOWBGN-DTWKUNHWSA-N 0 0 199.294 1.574 10 0 ADAERN CCOC[C@H](C)NC(=O)c1ccoc1 681690960 487030788 /nfs/dbraw/zinc/03/07/88/487030788.db2.gz NABVFFGSUGECNL-QMMMGPOBSA-N 0 0 197.234 1.434 10 0 ADAERN CCOC[C@H](C)NC(=O)C1=CCCC1 681690753 487030795 /nfs/dbraw/zinc/03/07/95/487030795.db2.gz MABAGRCAAFHPQW-VIFPVBQESA-N 0 0 197.278 1.638 10 0 ADAERN CCOC[C@H](C)NC(=O)C1(C)CCC1 681690735 487030845 /nfs/dbraw/zinc/03/08/45/487030845.db2.gz LCNLWADEFMUFPP-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCCC(=O)NC[C@@H]1CCC(C)(C)O1 681687080 487030874 /nfs/dbraw/zinc/03/08/74/487030874.db2.gz NIHQZLFSAVABGF-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN CCOC[C@H](C)NC(=O)C1CC=CC1 681691337 487030963 /nfs/dbraw/zinc/03/09/63/487030963.db2.gz WFPZHQMXXZTKOH-VIFPVBQESA-N 0 0 197.278 1.494 10 0 ADAERN CCOC[C@H](C)NC(=O)[C@H]1CC1(C)C 681690543 487030992 /nfs/dbraw/zinc/03/09/92/487030992.db2.gz GZDSNOFMXJIHBH-DTWKUNHWSA-N 0 0 199.294 1.574 10 0 ADAERN CCOC[C@H](C)NC(=O)CCC1CC1 681690658 487031162 /nfs/dbraw/zinc/03/11/62/487031162.db2.gz HUEGFTZXDYOOJI-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCOC[C@H](C)NC(=O)C1(CC)CC1 681693273 487031168 /nfs/dbraw/zinc/03/11/68/487031168.db2.gz YPIZHRSMHLOUIU-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCOC[C@H](C)NC(=O)C1CCCC1 681692738 487031314 /nfs/dbraw/zinc/03/13/14/487031314.db2.gz RPYUWMDFYQPUDY-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCOC[C@H](C)NC(=O)CC1CCC1 681692259 487031446 /nfs/dbraw/zinc/03/14/46/487031446.db2.gz JYCDEYKKIHSWKP-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCCC(=O)NC[C@H]1CCC(C)(C)O1 681687079 487031480 /nfs/dbraw/zinc/03/14/80/487031480.db2.gz NIHQZLFSAVABGF-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN CCCCOc1ccnnc1 220746024 487032185 /nfs/dbraw/zinc/03/21/85/487032185.db2.gz DJARGKNOXCEABJ-UHFFFAOYSA-N 0 0 152.197 1.656 10 0 ADAERN Cc1ccc(C2(C(N)=O)CCC2)cc1 221257087 487032243 /nfs/dbraw/zinc/03/22/43/487032243.db2.gz DKSXMAKGSNKUJX-UHFFFAOYSA-N 0 0 189.258 1.902 10 0 ADAERN Cc1nn(C)cc1C(F)(F)F 220902611 487032258 /nfs/dbraw/zinc/03/22/58/487032258.db2.gz NVJZECXMRLFXRQ-UHFFFAOYSA-N 0 0 164.130 1.747 10 0 ADAERN CC(=O)Nc1cc(C(C)C)no1 221125897 487032335 /nfs/dbraw/zinc/03/23/35/487032335.db2.gz XGKCXKHEFDCTIQ-UHFFFAOYSA-N 0 0 168.196 1.756 10 0 ADAERN CCCCCc1cc(C(N)=O)[nH]n1 221460611 487032689 /nfs/dbraw/zinc/03/26/89/487032689.db2.gz PMPZVHQAATTXGW-UHFFFAOYSA-N 0 0 181.239 1.241 10 0 ADAERN CCCn1cc(-c2ccccn2)nn1 221603048 487032963 /nfs/dbraw/zinc/03/29/63/487032963.db2.gz BDHWURFBOCQOOQ-UHFFFAOYSA-N 0 0 188.234 1.750 10 0 ADAERN CC1CC(C(=O)N2CCC[C@H]2CO)C1 681743966 487037578 /nfs/dbraw/zinc/03/75/78/487037578.db2.gz ZEDXLCHNBYBDAM-RTBKNWGFSA-N 0 0 197.278 1.016 10 0 ADAERN CC[C@@]1(O)CCN(C(=O)[C@H]2C[C@@H]2C)C1 681761978 487038024 /nfs/dbraw/zinc/03/80/24/487038024.db2.gz VAEYSUCBUODPTO-ATZCPNFKSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1CCO 681763060 487038284 /nfs/dbraw/zinc/03/82/84/487038284.db2.gz XABUEIHUEAYYLP-GUBZILKMSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CCO 681763059 487038357 /nfs/dbraw/zinc/03/83/57/487038357.db2.gz XABUEIHUEAYYLP-AEJSXWLSSA-N 0 0 197.278 1.016 10 0 ADAERN CCOC[C@H](C)NC(=O)c1ccc[nH]1 681757205 487038766 /nfs/dbraw/zinc/03/87/66/487038766.db2.gz QCHBMQCILVETCT-QMMMGPOBSA-N 0 0 196.250 1.170 10 0 ADAERN CCOC[C@H](C)NC(=O)c1cc[nH]c1 681757122 487038977 /nfs/dbraw/zinc/03/89/77/487038977.db2.gz LYZPBGZARPUNFS-QMMMGPOBSA-N 0 0 196.250 1.170 10 0 ADAERN CC[C@](C)(O)C[N@H+](C)Cc1cc[nH]n1 682028345 487040242 /nfs/dbraw/zinc/04/02/42/487040242.db2.gz GLQRXOFWTJZOSY-JTQLQIEISA-N 0 0 197.282 1.003 10 0 ADAERN CC[C@@H](CO)NC(=O)[C@H]1C[C@H]1C(C)C 682013695 487040401 /nfs/dbraw/zinc/04/04/01/487040401.db2.gz AXFCNVDDKGMIFL-GUBZILKMSA-N 0 0 199.294 1.166 10 0 ADAERN Cc1cc(C(=O)Nc2cnoc2)co1 681977670 487040507 /nfs/dbraw/zinc/04/05/07/487040507.db2.gz CBSAAOHOEMBVAQ-UHFFFAOYSA-N 0 0 192.174 1.828 10 0 ADAERN CC[C@@](C)(O)C[N@H+](C)Cc1cc[nH]n1 682028346 487040584 /nfs/dbraw/zinc/04/05/84/487040584.db2.gz GLQRXOFWTJZOSY-SNVBAGLBSA-N 0 0 197.282 1.003 10 0 ADAERN CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1C(C)C 682013696 487040684 /nfs/dbraw/zinc/04/06/84/487040684.db2.gz AXFCNVDDKGMIFL-IVZWLZJFSA-N 0 0 199.294 1.166 10 0 ADAERN CC[C@@H](CO)NC(=O)[C@H]1C[C@@H]1C(C)C 682013694 487040707 /nfs/dbraw/zinc/04/07/07/487040707.db2.gz AXFCNVDDKGMIFL-AEJSXWLSSA-N 0 0 199.294 1.166 10 0 ADAERN CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1C(C)C 682013697 487040794 /nfs/dbraw/zinc/04/07/94/487040794.db2.gz AXFCNVDDKGMIFL-LPEHRKFASA-N 0 0 199.294 1.166 10 0 ADAERN CN1CN(CCCC(C)(C)C)CC1=O 682029671 487040955 /nfs/dbraw/zinc/04/09/55/487040955.db2.gz QFJZPRBUHSRAMB-UHFFFAOYSA-N 0 0 198.310 1.544 10 0 ADAERN C[C@@H](CC(C)(C)C)NS(C)(=O)=O 225346947 487041904 /nfs/dbraw/zinc/04/19/04/487041904.db2.gz CQCFMSKOJNNHJG-ZETCQYMHSA-N 0 0 193.312 1.360 10 0 ADAERN CC[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1C 225404848 487042282 /nfs/dbraw/zinc/04/22/82/487042282.db2.gz ZEURANUENHNVOK-DJLDLDEBSA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1C 225404885 487042298 /nfs/dbraw/zinc/04/22/98/487042298.db2.gz ZEURANUENHNVOK-XHNCKOQMSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@H](CC(C)(C)C)NS(C)(=O)=O 225346978 487042420 /nfs/dbraw/zinc/04/24/20/487042420.db2.gz CQCFMSKOJNNHJG-SSDOTTSWSA-N 0 0 193.312 1.360 10 0 ADAERN CCC[C@@H]([NH3+])C(=O)NC[C@H]1CC1(C)C 225470813 487043068 /nfs/dbraw/zinc/04/30/68/487043068.db2.gz JJVNPFPCZDBULN-RKDXNWHRSA-N 0 0 198.310 1.276 10 0 ADAERN CCC[C@H]([NH3+])C(=O)NC[C@H]1CC1(C)C 225471739 487043164 /nfs/dbraw/zinc/04/31/64/487043164.db2.gz JJVNPFPCZDBULN-BDAKNGLRSA-N 0 0 198.310 1.276 10 0 ADAERN CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC1(C)C 225471706 487043215 /nfs/dbraw/zinc/04/32/15/487043215.db2.gz JJVNPFPCZDBULN-IUCAKERBSA-N 0 0 198.310 1.276 10 0 ADAERN CC[C@H]([NH3+])C(=O)NC(C)(CC)CC 225472810 487043286 /nfs/dbraw/zinc/04/32/86/487043286.db2.gz FXQPQBASEVVOKT-QMMMGPOBSA-N 0 0 186.299 1.419 10 0 ADAERN CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC1(C)C 225470778 487043522 /nfs/dbraw/zinc/04/35/22/487043522.db2.gz JJVNPFPCZDBULN-DTWKUNHWSA-N 0 0 198.310 1.276 10 0 ADAERN CCC(C)(CC)NC(=O)[C@H](C)[NH3+] 225472469 487043656 /nfs/dbraw/zinc/04/36/56/487043656.db2.gz JXYPEHDOPUDLGQ-ZETCQYMHSA-N 0 0 172.272 1.029 10 0 ADAERN CCC(C)(CC)NC(=O)[C@@H](C)[NH3+] 225472669 487043726 /nfs/dbraw/zinc/04/37/26/487043726.db2.gz JXYPEHDOPUDLGQ-SSDOTTSWSA-N 0 0 172.272 1.029 10 0 ADAERN CC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1C 682422904 487055999 /nfs/dbraw/zinc/05/59/99/487055999.db2.gz LRQZYRVTJYYLNS-KXUCPTDWSA-N 0 0 197.278 1.280 10 0 ADAERN CCCCCn1ccc(C)nc1=O 225914232 487045883 /nfs/dbraw/zinc/04/58/83/487045883.db2.gz BAYAQSQXZJCIQY-UHFFFAOYSA-N 0 0 180.251 1.742 10 0 ADAERN C[C@@H]1CN(C(=O)C2CC2)[C@H](C)[C@@H](C)O1 682109989 487046713 /nfs/dbraw/zinc/04/67/13/487046713.db2.gz QFFBAPXBRQPAPD-IWSPIJDZSA-N 0 0 197.278 1.421 10 0 ADAERN C[C@H]1[C@@H](C)O[C@H](C)CN1C(=O)C1CC1 682109987 487046746 /nfs/dbraw/zinc/04/67/46/487046746.db2.gz 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1.816 10 0 ADAERN Cc1c(C(=O)NC2CCC2)ccn1C 684967047 487137747 /nfs/dbraw/zinc/13/77/47/487137747.db2.gz FLRAROQGZJBRQZ-UHFFFAOYSA-N 0 0 192.262 1.616 10 0 ADAERN Cc1c(C(=O)N(C)C(C)C)ccn1C 684950846 487137777 /nfs/dbraw/zinc/13/77/77/487137777.db2.gz OHIVAVCKEPRXTH-UHFFFAOYSA-N 0 0 194.278 1.814 10 0 ADAERN Cc1c(C(=O)N2CCCC2)ccn1C 684948524 487137785 /nfs/dbraw/zinc/13/77/85/487137785.db2.gz RMLVPOCFSZTDPQ-UHFFFAOYSA-N 0 0 192.262 1.570 10 0 ADAERN CC[C@H](C)NC(=O)c1ccn(C)c1C 684948410 487137836 /nfs/dbraw/zinc/13/78/36/487137836.db2.gz GEONPFLXSPRCQJ-QMMMGPOBSA-N 0 0 194.278 1.862 10 0 ADAERN Cc1c(C(=O)NCC(C)C)ccn1C 684948397 487137903 /nfs/dbraw/zinc/13/79/03/487137903.db2.gz DQPWWJNSCKUWAR-UHFFFAOYSA-N 0 0 194.278 1.719 10 0 ADAERN CCCCNC(=O)c1ccn(C)c1C 684948619 487137907 /nfs/dbraw/zinc/13/79/07/487137907.db2.gz ZTHDYSDUIMBBJT-UHFFFAOYSA-N 0 0 194.278 1.863 10 0 ADAERN CCN(CC)C(=O)c1ccn(C)c1C 684948403 487137988 /nfs/dbraw/zinc/13/79/88/487137988.db2.gz FLQJQPGULWZZKO-UHFFFAOYSA-N 0 0 194.278 1.816 10 0 ADAERN Cc1c(C(=O)NCC2CC2)ccn1C 684949238 487138058 /nfs/dbraw/zinc/13/80/58/487138058.db2.gz ANKNETYYWGULPN-UHFFFAOYSA-N 0 0 192.262 1.473 10 0 ADAERN CCCc1ccc(NCCCO)nn1 259303753 487138226 /nfs/dbraw/zinc/13/82/26/487138226.db2.gz ONYKOBDLFDXBJY-UHFFFAOYSA-N 0 0 195.266 1.223 10 0 ADAERN CCCc1ccc(NCC)nn1 259422225 487138473 /nfs/dbraw/zinc/13/84/73/487138473.db2.gz WVOGLPARIPUVOY-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN Cc1c(C(=O)NCCCF)ccn1C 684975331 487138729 /nfs/dbraw/zinc/13/87/29/487138729.db2.gz GTXXHSAPSPMNJR-UHFFFAOYSA-N 0 0 198.241 1.423 10 0 ADAERN Cc1c(C(=O)N2CC(F)C2)ccn1C 684980555 487138889 /nfs/dbraw/zinc/13/88/89/487138889.db2.gz MCTUEQVAKDCLLO-UHFFFAOYSA-N 0 0 196.225 1.127 10 0 ADAERN C[C@@]12C(=O)NC[C@H]1[C@@H]1CC[C@H]2C1 299805342 487139397 /nfs/dbraw/zinc/13/93/97/487139397.db2.gz JRMJAZDGMFAQPH-VEVYYDQMSA-N 0 0 165.236 1.169 10 0 ADAERN C[C@@]12C(=O)NC[C@@H]1[C@@H]1CC[C@H]2C1 299805341 487139425 /nfs/dbraw/zinc/13/94/25/487139425.db2.gz JRMJAZDGMFAQPH-JIOCBJNQSA-N 0 0 165.236 1.169 10 0 ADAERN CCn1nc(C)c(Br)n1 299805285 487139431 /nfs/dbraw/zinc/13/94/31/487139431.db2.gz HICJDHQCFYTBSE-UHFFFAOYSA-N 0 0 190.044 1.369 10 0 ADAERN Cc1cc([C@H](O)C2CCC2)nn1C 299805195 487139471 /nfs/dbraw/zinc/13/94/71/487139471.db2.gz CKGHZPIIIRETTP-SNVBAGLBSA-N 0 0 180.251 1.562 10 0 ADAERN Cc1cc([C@@H](O)C2CCC2)nn1C 299805194 487139545 /nfs/dbraw/zinc/13/95/45/487139545.db2.gz CKGHZPIIIRETTP-JTQLQIEISA-N 0 0 180.251 1.562 10 0 ADAERN CC(C)C[C@H](C)CN1CC(=O)N(C)C1 685002906 487139782 /nfs/dbraw/zinc/13/97/82/487139782.db2.gz BFSLLCOEBWTSDX-JTQLQIEISA-N 0 0 198.310 1.400 10 0 ADAERN CC(C)C[C@@H](C)CN1CC(=O)N(C)C1 685002907 487139840 /nfs/dbraw/zinc/13/98/40/487139840.db2.gz BFSLLCOEBWTSDX-SNVBAGLBSA-N 0 0 198.310 1.400 10 0 ADAERN C[C@H](N[C@@H]1CCO[C@H]1C)C(F)F 299896002 487140156 /nfs/dbraw/zinc/14/01/56/487140156.db2.gz LBWQLVWNNVKTLX-LYFYHCNISA-N 0 0 179.210 1.407 10 0 ADAERN C[C@H](N[C@H]1CCO[C@H]1C)C(F)F 299896001 487140342 /nfs/dbraw/zinc/14/03/42/487140342.db2.gz LBWQLVWNNVKTLX-ACZMJKKPSA-N 0 0 179.210 1.407 10 0 ADAERN Cc1cnc([C@@H](C)N(C)CCCO)o1 685047473 487142036 /nfs/dbraw/zinc/14/20/36/487142036.db2.gz XMZOOLCKKBNKHI-SECBINFHSA-N 0 0 198.266 1.358 10 0 ADAERN CC1(CC(=O)NCCCO)CCCC1 685194431 487142289 /nfs/dbraw/zinc/14/22/89/487142289.db2.gz HVJWYQFOMOPZEB-UHFFFAOYSA-N 0 0 199.294 1.455 10 0 ADAERN C[C@H](O)CNC(=O)CC1(C)CCCC1 685194429 487142545 /nfs/dbraw/zinc/14/25/45/487142545.db2.gz HEWNTUAHTUGQRV-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN C[C@H](CO)NC(=O)CC1(C)CCCC1 685194594 487142571 /nfs/dbraw/zinc/14/25/71/487142571.db2.gz PTYNCVNTCMPDGY-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN Cc1cnc([C@H](C)N(C)CCCO)o1 685047474 487142584 /nfs/dbraw/zinc/14/25/84/487142584.db2.gz XMZOOLCKKBNKHI-VIFPVBQESA-N 0 0 198.266 1.358 10 0 ADAERN C[C@@H](O)CNC(=O)CC1(C)CCCC1 685194428 487142600 /nfs/dbraw/zinc/14/26/00/487142600.db2.gz HEWNTUAHTUGQRV-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN C[C@@H](CO)NC(=O)CC1(C)CCCC1 685194595 487142644 /nfs/dbraw/zinc/14/26/44/487142644.db2.gz PTYNCVNTCMPDGY-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN CCc1cnc(CN(C)CCCO)o1 685046308 487142802 /nfs/dbraw/zinc/14/28/02/487142802.db2.gz USRZXEUVODIWMX-UHFFFAOYSA-N 0 0 198.266 1.051 10 0 ADAERN C[C@@H](CO)N(C)C(=O)[C@H]1CCC[C@H]1C 300215015 487142805 /nfs/dbraw/zinc/14/28/05/487142805.db2.gz FZSZFXKPOPNBLL-UTLUCORTSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H](CO)N(C)C(=O)[C@@H]1CCC[C@H]1C 300215013 487142866 /nfs/dbraw/zinc/14/28/66/487142866.db2.gz FZSZFXKPOPNBLL-KXUCPTDWSA-N 0 0 199.294 1.262 10 0 ADAERN OCc1cc(N2CCCC2)ncc1F 685263129 487143559 /nfs/dbraw/zinc/14/35/59/487143559.db2.gz RSKDZXJPZGTKRL-UHFFFAOYSA-N 0 0 196.225 1.313 10 0 ADAERN CO[C@H]1C[C@@H](N(C)Cc2cocn2)C1 685438508 487144500 /nfs/dbraw/zinc/14/45/00/487144500.db2.gz RZGJKVHSSBFAJA-AOOOYVTPSA-N 0 0 196.250 1.284 10 0 ADAERN CN(CCCO)C(=O)CC1CCCC1 300771274 487144538 /nfs/dbraw/zinc/14/45/38/487144538.db2.gz CVFIUTHKSFKIEY-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CCCCC(=O)N(C)CCCO 300753563 487143743 /nfs/dbraw/zinc/14/37/43/487143743.db2.gz ILUJPVRIYWMLNF-UHFFFAOYSA-N 0 0 173.256 1.017 10 0 ADAERN CN(CCCO)C(=O)C1(C)CCCC1 300806976 487144509 /nfs/dbraw/zinc/14/45/09/487144509.db2.gz KCVHZTXCMCRJDD-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN Cc1occc1C(=O)N(C)CCCO 300769754 487144436 /nfs/dbraw/zinc/14/44/36/487144436.db2.gz CMMQYKSSUUJHBQ-UHFFFAOYSA-N 0 0 197.234 1.042 10 0 ADAERN CC[C@H](C)CC(=O)N(C)CCCO 300827322 487144222 /nfs/dbraw/zinc/14/42/22/487144222.db2.gz NYKHZIJSMRDTRJ-VIFPVBQESA-N 0 0 187.283 1.263 10 0 ADAERN Cc1ccoc1C(=O)N(C)CCCO 300781867 487144243 /nfs/dbraw/zinc/14/42/43/487144243.db2.gz FYJTXAKZSQROOS-UHFFFAOYSA-N 0 0 197.234 1.042 10 0 ADAERN CC(C)=CCn1ccc(C)nc1=O 300822787 487144332 /nfs/dbraw/zinc/14/43/32/487144332.db2.gz DJPUJGQRIBCIHU-UHFFFAOYSA-N 0 0 178.235 1.518 10 0 ADAERN CN(CCCO)C(=O)c1ccsc1 300779952 487144348 /nfs/dbraw/zinc/14/43/48/487144348.db2.gz FNNVOQBXWPTTLH-UHFFFAOYSA-N 0 0 199.275 1.203 10 0 ADAERN CCC[C@H](C)C(=O)N(C)CCCO 300784961 487144376 /nfs/dbraw/zinc/14/43/76/487144376.db2.gz GHLTYJSIYZPNGV-VIFPVBQESA-N 0 0 187.283 1.263 10 0 ADAERN CCC[C@@H](C)C(=O)N(C)CCCO 300784959 487144379 /nfs/dbraw/zinc/14/43/79/487144379.db2.gz GHLTYJSIYZPNGV-SECBINFHSA-N 0 0 187.283 1.263 10 0 ADAERN Cc1ccc(C(=O)N(C)CCCO)o1 300799227 487144528 /nfs/dbraw/zinc/14/45/28/487144528.db2.gz ITCBLCQCAUCHMH-UHFFFAOYSA-N 0 0 197.234 1.042 10 0 ADAERN CN(CCCO)C(=O)CC(C)(C)C 300807732 487144482 /nfs/dbraw/zinc/14/44/82/487144482.db2.gz KIAKVBKNNJRJGS-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN CN(Cc1cocn1)[C@H]1CCCOC1 685438748 487144562 /nfs/dbraw/zinc/14/45/62/487144562.db2.gz VSPPMGPPOCPTGW-JTQLQIEISA-N 0 0 196.250 1.285 10 0 ADAERN CN(CCO)C(=O)CC1(C)CCCC1 685421078 487144579 /nfs/dbraw/zinc/14/45/79/487144579.db2.gz WXXRQCGKCGDGEA-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN CN(Cc1cocn1)[C@@H]1CCCOC1 685438749 487144593 /nfs/dbraw/zinc/14/45/93/487144593.db2.gz VSPPMGPPOCPTGW-SNVBAGLBSA-N 0 0 196.250 1.285 10 0 ADAERN CC[C@@H](C)CC(=O)N(C)CCCO 300827319 487144601 /nfs/dbraw/zinc/14/46/01/487144601.db2.gz NYKHZIJSMRDTRJ-SECBINFHSA-N 0 0 187.283 1.263 10 0 ADAERN CN(CCCO)C(=O)c1cccs1 300763336 487144641 /nfs/dbraw/zinc/14/46/41/487144641.db2.gz BDBMDCDBBJPKOS-UHFFFAOYSA-N 0 0 199.275 1.203 10 0 ADAERN CO[C@H]1C[C@@H](N(C)Cc2cc[nH]n2)C1 685438486 487144989 /nfs/dbraw/zinc/14/49/89/487144989.db2.gz NERZBIRDRTYFSM-AOOOYVTPSA-N 0 0 195.266 1.019 10 0 ADAERN Cc1cc(C(=O)N(C)CCCO)co1 300861036 487145180 /nfs/dbraw/zinc/14/51/80/487145180.db2.gz VIEAQXJFTIERRJ-UHFFFAOYSA-N 0 0 197.234 1.042 10 0 ADAERN CC(C)CCC(=O)N(C)CCCO 300835883 487145193 /nfs/dbraw/zinc/14/51/93/487145193.db2.gz PQUWTJIZRBZLGU-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN CN(CCCO)C(=O)[C@@H]1CC=CCC1 300833729 487145206 /nfs/dbraw/zinc/14/52/06/487145206.db2.gz PEPDZHJPJBWXQW-SNVBAGLBSA-N 0 0 197.278 1.184 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N(C)CCCO 300865295 487145241 /nfs/dbraw/zinc/14/52/41/487145241.db2.gz WBSGTKCYVMPDCH-VHSXEESVSA-N 0 0 199.294 1.263 10 0 ADAERN CN(CCCO)C(=O)[C@H]1CC=CCC1 300833728 487145266 /nfs/dbraw/zinc/14/52/66/487145266.db2.gz PEPDZHJPJBWXQW-JTQLQIEISA-N 0 0 197.278 1.184 10 0 ADAERN CN(CCCO)C(=O)CC1CCC1 300862677 487145318 /nfs/dbraw/zinc/14/53/18/487145318.db2.gz VNTBOXHGQMQMTL-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN CC(C)[C@@H](C)C(=O)N(C)CCCO 300846042 487145443 /nfs/dbraw/zinc/14/54/43/487145443.db2.gz RTRVJFYAWIOWHI-SECBINFHSA-N 0 0 187.283 1.119 10 0 ADAERN CN(CCCO)C(=O)C1CCCCC1 300846838 487145535 /nfs/dbraw/zinc/14/55/35/487145535.db2.gz RZEMNLNHBONPFB-UHFFFAOYSA-N 0 0 199.294 1.408 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)N(C)CCCO 300865287 487145555 /nfs/dbraw/zinc/14/55/55/487145555.db2.gz WBSGTKCYVMPDCH-NXEZZACHSA-N 0 0 199.294 1.263 10 0 ADAERN CCCC[C@H](C)C(=O)N1CC(CO)C1 300856218 487145576 /nfs/dbraw/zinc/14/55/76/487145576.db2.gz BWBKMPDHJJUYIT-VIFPVBQESA-N 0 0 199.294 1.263 10 0 ADAERN CCC(C)(C)C(=O)N(C)CCCO 300869916 487145633 /nfs/dbraw/zinc/14/56/33/487145633.db2.gz WZPOLOLMBKZCNX-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N(C)CCCO 300865291 487145676 /nfs/dbraw/zinc/14/56/76/487145676.db2.gz WBSGTKCYVMPDCH-UWVGGRQHSA-N 0 0 199.294 1.263 10 0 ADAERN CCCC[C@@H](C)C(=O)N1CC(CO)C1 300856217 487145701 /nfs/dbraw/zinc/14/57/01/487145701.db2.gz BWBKMPDHJJUYIT-SECBINFHSA-N 0 0 199.294 1.263 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)CCCO 300865299 487145712 /nfs/dbraw/zinc/14/57/12/487145712.db2.gz WBSGTKCYVMPDCH-ZJUUUORDSA-N 0 0 199.294 1.263 10 0 ADAERN CN(CCCO)C(=O)C[C@H]1C=CCC1 300853195 487145750 /nfs/dbraw/zinc/14/57/50/487145750.db2.gz TWMHOAQBSOSTBB-JTQLQIEISA-N 0 0 197.278 1.184 10 0 ADAERN CC(C)[C@H](C)C(=O)N(C)CCCO 300846045 487145787 /nfs/dbraw/zinc/14/57/87/487145787.db2.gz RTRVJFYAWIOWHI-VIFPVBQESA-N 0 0 187.283 1.119 10 0 ADAERN CN(CCCO)C(=O)C1CCCC1 300859350 487145794 /nfs/dbraw/zinc/14/57/94/487145794.db2.gz UYEFRVALWKVGLH-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN CN(CCCO)C(=O)C[C@@H]1C=CCC1 300853197 487145834 /nfs/dbraw/zinc/14/58/34/487145834.db2.gz TWMHOAQBSOSTBB-SNVBAGLBSA-N 0 0 197.278 1.184 10 0 ADAERN CCCC[C@@H](C)C(=O)NC1(CO)CC1 300897021 487146194 /nfs/dbraw/zinc/14/61/94/487146194.db2.gz IJXDCYQGGYCELK-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN CCC(CC)C(=O)N(C)CCCO 300874731 487146239 /nfs/dbraw/zinc/14/62/39/487146239.db2.gz YBTOYPMFTSITMI-UHFFFAOYSA-N 0 0 187.283 1.263 10 0 ADAERN CCN(CC1CC1)c1nnc(C)n1C 685495125 487146447 /nfs/dbraw/zinc/14/64/47/487146447.db2.gz CLPKZSROXWVIRZ-UHFFFAOYSA-N 0 0 194.282 1.360 10 0 ADAERN CCCC[C@H](C)C(=O)NC1(CO)CC1 300897024 487146643 /nfs/dbraw/zinc/14/66/43/487146643.db2.gz IJXDCYQGGYCELK-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN CCc1nnc(N(C)C2CCC2)n1C 685518451 487146681 /nfs/dbraw/zinc/14/66/81/487146681.db2.gz DFKRBIPNIINAKP-UHFFFAOYSA-N 0 0 194.282 1.366 10 0 ADAERN CCN(CC)c1nnc(C2CC2)n1C 685520843 487146726 /nfs/dbraw/zinc/14/67/26/487146726.db2.gz HVOFGKCCAKGTAZ-UHFFFAOYSA-N 0 0 194.282 1.539 10 0 ADAERN CCc1nnc(N2CCC[C@H]2C)n1C 685509811 487146728 /nfs/dbraw/zinc/14/67/28/487146728.db2.gz BPACSIQMAUVKDL-MRVPVSSYSA-N 0 0 194.282 1.366 10 0 ADAERN CCc1nnc(N2CCC[C@@H]2C)n1C 685509812 487146732 /nfs/dbraw/zinc/14/67/32/487146732.db2.gz BPACSIQMAUVKDL-QMMMGPOBSA-N 0 0 194.282 1.366 10 0 ADAERN CCCN(CCC)c1nnc(C)n1C 685489051 487146915 /nfs/dbraw/zinc/14/69/15/487146915.db2.gz DIOQZCMUDZBJAR-UHFFFAOYSA-N 0 0 196.298 1.750 10 0 ADAERN Cc1nc([C@H](C)N2[C@@H](C)C[C@@H]2C)no1 685580469 487147641 /nfs/dbraw/zinc/14/76/41/487147641.db2.gz BPFVEWPMRQDPMO-FXQIFTODSA-N 0 0 195.266 1.922 10 0 ADAERN Cc1nc([C@H](C)N2[C@H](C)C[C@H]2C)no1 685580471 487147818 /nfs/dbraw/zinc/14/78/18/487147818.db2.gz BPFVEWPMRQDPMO-PRJMDXOYSA-N 0 0 195.266 1.922 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)C1(CCF)CC1 685613374 487148555 /nfs/dbraw/zinc/14/85/55/487148555.db2.gz NTLQCLBTLJHXSF-IUCAKERBSA-N 0 0 199.269 1.898 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)C1(CCF)CC1 685613373 487148570 /nfs/dbraw/zinc/14/85/70/487148570.db2.gz NTLQCLBTLJHXSF-DTWKUNHWSA-N 0 0 199.269 1.898 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)C1(CCF)CC1 685613372 487148577 /nfs/dbraw/zinc/14/85/77/487148577.db2.gz NTLQCLBTLJHXSF-BDAKNGLRSA-N 0 0 199.269 1.898 10 0 ADAERN O=C(Nc1cn[nH]c1)C1(CCF)CC1 685602786 487148589 /nfs/dbraw/zinc/14/85/89/487148589.db2.gz VXNDMNCMQZEJFV-UHFFFAOYSA-N 0 0 197.213 1.488 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)C1(CCF)CC1 685613375 487148726 /nfs/dbraw/zinc/14/87/26/487148726.db2.gz NTLQCLBTLJHXSF-RKDXNWHRSA-N 0 0 199.269 1.898 10 0 ADAERN O=C(Nc1cc[nH]n1)C1(CCF)CC1 685640238 487149269 /nfs/dbraw/zinc/14/92/69/487149269.db2.gz FYNZJUUGNGEBFQ-UHFFFAOYSA-N 0 0 197.213 1.488 10 0 ADAERN CN(CC1CC1)C(=O)C1(CCF)CC1 685628125 487149342 /nfs/dbraw/zinc/14/93/42/487149342.db2.gz QUNQHUWRQFDSEQ-UHFFFAOYSA-N 0 0 199.269 1.995 10 0 ADAERN O=C(NC1CC=CC1)C1(CCF)CC1 685783884 487149382 /nfs/dbraw/zinc/14/93/82/487149382.db2.gz HDKDRTDINHRPOK-UHFFFAOYSA-N 0 0 197.253 1.961 10 0 ADAERN O=C(N1CC=CCC1)C1(CCF)CC1 685792362 487149450 /nfs/dbraw/zinc/14/94/50/487149450.db2.gz HHYVAIWTPOHALV-UHFFFAOYSA-N 0 0 197.253 1.915 10 0 ADAERN Cc1nc(N)nc(NC2CCCC2)n1 306169646 487149930 /nfs/dbraw/zinc/14/99/30/487149930.db2.gz PWQYCFQSLXFINO-UHFFFAOYSA-N 0 0 193.254 1.117 10 0 ADAERN CCCC(=O)N1Cc2c[nH]nc2C1 306166277 487149999 /nfs/dbraw/zinc/14/99/99/487149999.db2.gz CTXFTKHXJNXQHI-UHFFFAOYSA-N 0 0 179.223 1.052 10 0 ADAERN O=C(C1CCC1)N1Cc2c[nH]nc2C1 306168309 487150233 /nfs/dbraw/zinc/15/02/33/487150233.db2.gz DXWHWCZQOSKJRW-UHFFFAOYSA-N 0 0 191.234 1.052 10 0 ADAERN CC1(C)CN(C(=O)C2(CCF)CC2)C1 685839987 487150525 /nfs/dbraw/zinc/15/05/25/487150525.db2.gz UKAZMLKXXDNDCN-UHFFFAOYSA-N 0 0 199.269 1.995 10 0 ADAERN FC1(CN2CCn3cncc3C2)CC1 685850124 487150543 /nfs/dbraw/zinc/15/05/43/487150543.db2.gz KWYAHYULJSRJQY-UHFFFAOYSA-N 0 0 195.241 1.201 10 0 ADAERN CO[C@@H](C)CN(C)Cc1n[nH]cc1C 685848134 487150791 /nfs/dbraw/zinc/15/07/91/487150791.db2.gz XCODZELRESAOOY-VIFPVBQESA-N 0 0 197.282 1.185 10 0 ADAERN CO[C@H](C)CN(C)Cc1n[nH]cc1C 685848133 487150826 /nfs/dbraw/zinc/15/08/26/487150826.db2.gz XCODZELRESAOOY-SECBINFHSA-N 0 0 197.282 1.185 10 0 ADAERN O=C(CC1CC1)N1Cc2c[nH]nc2C1 306180459 487151132 /nfs/dbraw/zinc/15/11/32/487151132.db2.gz KEWJVDSWRNCKGR-UHFFFAOYSA-N 0 0 191.234 1.052 10 0 ADAERN Cc1nccnc1N1CCC2(CC2)C1 685918977 487151434 /nfs/dbraw/zinc/15/14/34/487151434.db2.gz TWHGIBFGRIVWKE-UHFFFAOYSA-N 0 0 189.262 1.775 10 0 ADAERN Cc1cncc(N2CCC3(CC3)C2)n1 685918683 487151487 /nfs/dbraw/zinc/15/14/87/487151487.db2.gz NYGAFXHQLCUCOT-UHFFFAOYSA-N 0 0 189.262 1.775 10 0 ADAERN FC(F)[C@H]1CCN(c2cnccn2)C1 685919646 487151500 /nfs/dbraw/zinc/15/15/00/487151500.db2.gz PCMKNQQXXRGAQX-ZETCQYMHSA-N 0 0 199.204 1.568 10 0 ADAERN FC(F)[C@@H]1CCN(c2cnccn2)C1 685919645 487151508 /nfs/dbraw/zinc/15/15/08/487151508.db2.gz PCMKNQQXXRGAQX-SSDOTTSWSA-N 0 0 199.204 1.568 10 0 ADAERN Cc1cnc(N2CCC3(CC3)C2)nc1 685918883 487151538 /nfs/dbraw/zinc/15/15/38/487151538.db2.gz SGYNDIAIZPXHAP-UHFFFAOYSA-N 0 0 189.262 1.775 10 0 ADAERN Cn1cc(NC[C@H](O)C(C)(C)C)cn1 306222139 487151666 /nfs/dbraw/zinc/15/16/66/487151666.db2.gz QMCMNUBCPYCXOS-VIFPVBQESA-N 0 0 197.282 1.239 10 0 ADAERN Cn1cc(NC[C@@H](O)C(C)(C)C)cn1 306222137 487151881 /nfs/dbraw/zinc/15/18/81/487151881.db2.gz QMCMNUBCPYCXOS-SECBINFHSA-N 0 0 197.282 1.239 10 0 ADAERN CC(C)(CNC(N)=O)C(F)(F)F 306333697 487153626 /nfs/dbraw/zinc/15/36/26/487153626.db2.gz RIOMTTZXEGCMOP-UHFFFAOYSA-N 0 0 184.161 1.243 10 0 ADAERN CO[C@@H](C)c1nsc(N2CCC2)n1 306332652 487153712 /nfs/dbraw/zinc/15/37/12/487153712.db2.gz RRVHJZSWTXNLRK-LURJTMIESA-N 0 0 199.279 1.456 10 0 ADAERN CC(=O)c1ccsc1NCCO 306340730 487153733 /nfs/dbraw/zinc/15/37/33/487153733.db2.gz WWEQLTHHMXVHKU-UHFFFAOYSA-N 0 0 185.248 1.355 10 0 ADAERN CO[C@H](C)c1nsc(N2CCC2)n1 306332654 487153834 /nfs/dbraw/zinc/15/38/34/487153834.db2.gz RRVHJZSWTXNLRK-ZCFIWIBFSA-N 0 0 199.279 1.456 10 0 ADAERN C[C@@H]1CN(C(=O)C2(C)CC2)CCC1=O 306337388 487153954 /nfs/dbraw/zinc/15/39/54/487153954.db2.gz HJULMEBNCXEZEK-MRVPVSSYSA-N 0 0 195.262 1.224 10 0 ADAERN O=C(NC1(C(F)F)CC1)C1CCC1 306359775 487154535 /nfs/dbraw/zinc/15/45/35/487154535.db2.gz LHWUIOOXJQPRPU-UHFFFAOYSA-N 0 0 189.205 1.700 10 0 ADAERN C[C@@H]1[C@@H]([NH2+][C@H](C)C(=O)[O-])C[C@H]1C 306383205 487154863 /nfs/dbraw/zinc/15/48/63/487154863.db2.gz UYLWDDHGFLTMDP-CWKFCGSDSA-N 0 0 171.240 1.094 10 0 ADAERN CNC(=O)NCC(C)(C)C(F)(F)F 306387028 487154965 /nfs/dbraw/zinc/15/49/65/487154965.db2.gz CJHJTLWCXOWOBV-UHFFFAOYSA-N 0 0 198.188 1.504 10 0 ADAERN C[C@@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C(=O)[O-] 306383208 487155082 /nfs/dbraw/zinc/15/50/82/487155082.db2.gz UYLWDDHGFLTMDP-XUTVFYLZSA-N 0 0 171.240 1.094 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1[NH2+][C@H](C)C(=O)[O-] 306383206 487155184 /nfs/dbraw/zinc/15/51/84/487155184.db2.gz UYLWDDHGFLTMDP-ULAWRXDQSA-N 0 0 171.240 1.094 10 0 ADAERN C[C@@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(=O)[O-] 306383207 487155245 /nfs/dbraw/zinc/15/52/45/487155245.db2.gz UYLWDDHGFLTMDP-WCTZXXKLSA-N 0 0 171.240 1.094 10 0 ADAERN OCCNc1ccnc2cccnc12 306450595 487156233 /nfs/dbraw/zinc/15/62/33/487156233.db2.gz ZFPRHQNWFBYDFT-UHFFFAOYSA-N 0 0 189.218 1.034 10 0 ADAERN Cc1nc(CN2C[C@H](C)[C@H]2C)no1 306449538 487156271 /nfs/dbraw/zinc/15/62/71/487156271.db2.gz AOTCKAPCFIIUAE-NKWVEPMBSA-N 0 0 181.239 1.218 10 0 ADAERN CCn1ccnc1CN1CC(C)C1 306451431 487156280 /nfs/dbraw/zinc/15/62/80/487156280.db2.gz WLFPQRCFLFILGQ-UHFFFAOYSA-N 0 0 179.267 1.355 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)CC(F)(F)F 306451274 487156455 /nfs/dbraw/zinc/15/64/55/487156455.db2.gz WFCZFGJYTCVGLM-PHDIDXHHSA-N 0 0 195.184 1.948 10 0 ADAERN Cc1nc(CN2C[C@@H](C)[C@H]2C)no1 306449539 487156466 /nfs/dbraw/zinc/15/64/66/487156466.db2.gz AOTCKAPCFIIUAE-RNFRBKRXSA-N 0 0 181.239 1.218 10 0 ADAERN CC(F)(F)CN[C@@H]1CCCOC1 306449578 487156499 /nfs/dbraw/zinc/15/64/99/487156499.db2.gz ATJLDBWSOOXRNA-SSDOTTSWSA-N 0 0 179.210 1.410 10 0 ADAERN Cc1nc(CN2C[C@H](C)[C@@H]2C)no1 306449537 487156529 /nfs/dbraw/zinc/15/65/29/487156529.db2.gz AOTCKAPCFIIUAE-BQBZGAKWSA-N 0 0 181.239 1.218 10 0 ADAERN Cc1nc(CN2C[C@@H](C)[C@@H]2C)no1 306449540 487156600 /nfs/dbraw/zinc/15/66/00/487156600.db2.gz AOTCKAPCFIIUAE-RQJHMYQMSA-N 0 0 181.239 1.218 10 0 ADAERN CC(F)(F)CN[C@H]1CCCOC1 306449579 487156615 /nfs/dbraw/zinc/15/66/15/487156615.db2.gz ATJLDBWSOOXRNA-ZETCQYMHSA-N 0 0 179.210 1.410 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc[nH]1 306491193 487158689 /nfs/dbraw/zinc/15/86/89/487158689.db2.gz NIAYLTHBWGKXLN-SVRRBLITSA-N 0 0 164.208 1.153 10 0 ADAERN Cn1ccnc1C[NH2+][C@@H]1[C@H]2CCC[C@H]21 306502291 487159084 /nfs/dbraw/zinc/15/90/84/487159084.db2.gz HGZFOVODKVTURE-JZYVYDRUSA-N 0 0 191.278 1.308 10 0 ADAERN C[C@@H]1[C@H](O)CCCN1C(=O)C1CCC1 306560941 487160612 /nfs/dbraw/zinc/16/06/12/487160612.db2.gz SAYKKCSMGSYFHS-PSASIEDQSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@H]1[C@H](O)CCCN1C(=O)C1CCC1 306560943 487160700 /nfs/dbraw/zinc/16/07/00/487160700.db2.gz SAYKKCSMGSYFHS-WCBMZHEXSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@@H]1[C@@H](O)CCCN1C(=O)C1CCC1 306560942 487160789 /nfs/dbraw/zinc/16/07/89/487160789.db2.gz SAYKKCSMGSYFHS-SCZZXKLOSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@H]1[C@@H](O)CCCN1C(=O)C1CCC1 306560944 487160834 /nfs/dbraw/zinc/16/08/34/487160834.db2.gz SAYKKCSMGSYFHS-WPRPVWTQSA-N 0 0 197.278 1.158 10 0 ADAERN CC[C@H]1CCN1Cc1nccc(N)n1 306648899 487163021 /nfs/dbraw/zinc/16/30/21/487163021.db2.gz QGTDKSNEBDDQST-QMMMGPOBSA-N 0 0 192.266 1.043 10 0 ADAERN CC[C@@H]1CCN1Cc1nccc(N)n1 306648898 487163081 /nfs/dbraw/zinc/16/30/81/487163081.db2.gz QGTDKSNEBDDQST-MRVPVSSYSA-N 0 0 192.266 1.043 10 0 ADAERN CCc1noc(NCC2(F)CC2)n1 306637020 487163139 /nfs/dbraw/zinc/16/31/39/487163139.db2.gz AZXZEHWNDAJTEP-UHFFFAOYSA-N 0 0 185.202 1.546 10 0 ADAERN Cc1nc(N2CCCCN2)sc1C 306652600 487163666 /nfs/dbraw/zinc/16/36/66/487163666.db2.gz IOMLQXFWROXVKH-UHFFFAOYSA-N 0 0 197.307 1.865 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1CC(C2CC2)C1 306651943 487163674 /nfs/dbraw/zinc/16/36/74/487163674.db2.gz STPGEMBXCBXZRD-XCBNKYQSSA-N 0 0 179.263 1.511 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N1CC(C2CC2)C1 306651944 487163837 /nfs/dbraw/zinc/16/38/37/487163837.db2.gz STPGEMBXCBXZRD-XVKPBYJWSA-N 0 0 179.263 1.511 10 0 ADAERN CC[C@@H]1C[C@H]1CNc1cccnn1 306651624 487163983 /nfs/dbraw/zinc/16/39/83/487163983.db2.gz FYGNKJLHSOBXMV-BDAKNGLRSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@H]1C[C@H]1C(=O)N1CC(C2CC2)C1 306651942 487164021 /nfs/dbraw/zinc/16/40/21/487164021.db2.gz STPGEMBXCBXZRD-OIBJUYFYSA-N 0 0 179.263 1.511 10 0 ADAERN Cc1cncc(NCC[C@H](C)F)n1 306669691 487164196 /nfs/dbraw/zinc/16/41/96/487164196.db2.gz XBFKVHOWSYNSTE-ZETCQYMHSA-N 0 0 183.230 1.945 10 0 ADAERN C[C@@H](F)CCNc1ncc(F)cn1 306665405 487164273 /nfs/dbraw/zinc/16/42/73/487164273.db2.gz TZHNUHMPPDUYOL-ZCFIWIBFSA-N 0 0 187.193 1.776 10 0 ADAERN C[C@@H](CF)NC(=O)N[C@@H]1C[C@@H]1C 306671709 487164371 /nfs/dbraw/zinc/16/43/71/487164371.db2.gz ZGEHYEVMRNSUNV-LYFYHCNISA-N 0 0 174.219 1.052 10 0 ADAERN CC(C)(C)C(C)(C)c1nc(CN)no1 306674570 487164403 /nfs/dbraw/zinc/16/44/03/487164403.db2.gz QQUZXLHOEJYYLV-UHFFFAOYSA-N 0 0 197.282 1.852 10 0 ADAERN Cc1cncc(NCC[C@@H](C)F)n1 306669690 487164472 /nfs/dbraw/zinc/16/44/72/487164472.db2.gz XBFKVHOWSYNSTE-SSDOTTSWSA-N 0 0 183.230 1.945 10 0 ADAERN C[C@H](F)CCNc1ncc(F)cn1 306665404 487164475 /nfs/dbraw/zinc/16/44/75/487164475.db2.gz TZHNUHMPPDUYOL-LURJTMIESA-N 0 0 187.193 1.776 10 0 ADAERN C[C@@H](CF)NC(=O)N[C@H]1C[C@H]1C 306671710 487164508 /nfs/dbraw/zinc/16/45/08/487164508.db2.gz ZGEHYEVMRNSUNV-VQVTYTSYSA-N 0 0 174.219 1.052 10 0 ADAERN C[C@@H](CF)NC(=O)N[C@H]1C[C@@H]1C 306671646 487164552 /nfs/dbraw/zinc/16/45/52/487164552.db2.gz ZGEHYEVMRNSUNV-ACZMJKKPSA-N 0 0 174.219 1.052 10 0 ADAERN CC1(C)C[C@@H](Nc2ncccn2)CO1 306771041 487166481 /nfs/dbraw/zinc/16/64/81/487166481.db2.gz GBSUPAWHYGLQQY-MRVPVSSYSA-N 0 0 193.250 1.456 10 0 ADAERN CC1(C)C[C@H](Nc2ncccn2)CO1 306771042 487166491 /nfs/dbraw/zinc/16/64/91/487166491.db2.gz GBSUPAWHYGLQQY-QMMMGPOBSA-N 0 0 193.250 1.456 10 0 ADAERN Cc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nn1 306863201 487167925 /nfs/dbraw/zinc/16/79/25/487167925.db2.gz IJAMNJVKXSFAOB-ILWJIGKKSA-N 0 0 189.262 1.995 10 0 ADAERN CC1(C)C[C@@H](Nc2cccnn2)CO1 306859849 487168014 /nfs/dbraw/zinc/16/80/14/487168014.db2.gz FMFBZVYNWRENTE-MRVPVSSYSA-N 0 0 193.250 1.456 10 0 ADAERN CC1(C)C[C@H](Nc2cccnn2)CO1 306859850 487168097 /nfs/dbraw/zinc/16/80/97/487168097.db2.gz FMFBZVYNWRENTE-QMMMGPOBSA-N 0 0 193.250 1.456 10 0 ADAERN O=C([C@H]1C[C@@H]2C[C@@H]2C1)N1CCCCN1 306858740 487168131 /nfs/dbraw/zinc/16/81/31/487168131.db2.gz CSIVXVFNKFUXBX-ILWJIGKKSA-N 0 0 194.278 1.160 10 0 ADAERN COCC(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 306901667 487169074 /nfs/dbraw/zinc/16/90/74/487169074.db2.gz GSPZCNVOUVZEBQ-DJLDLDEBSA-N 0 0 185.267 1.136 10 0 ADAERN COCC(=O)N1C[C@H](C)[C@H](C)[C@@H]1C 306901666 487169113 /nfs/dbraw/zinc/16/91/13/487169113.db2.gz GSPZCNVOUVZEBQ-CIUDSAMLSA-N 0 0 185.267 1.136 10 0 ADAERN COCC(=O)N1C[C@H](C)[C@H](C)[C@H]1C 306901668 487169166 /nfs/dbraw/zinc/16/91/66/487169166.db2.gz GSPZCNVOUVZEBQ-XHNCKOQMSA-N 0 0 185.267 1.136 10 0 ADAERN COCC(=O)N1C[C@H](C)[C@@H](C)[C@@H]1C 306901669 487169225 /nfs/dbraw/zinc/16/92/25/487169225.db2.gz GSPZCNVOUVZEBQ-YIZRAAEISA-N 0 0 185.267 1.136 10 0 ADAERN CC1CN(C(=O)c2nccs2)C1 306968835 487170074 /nfs/dbraw/zinc/17/00/74/487170074.db2.gz RCXKASIXFAIOTD-UHFFFAOYSA-N 0 0 182.248 1.235 10 0 ADAERN CCc1csc(Cn2ccnc2)n1 306939555 487170103 /nfs/dbraw/zinc/17/01/03/487170103.db2.gz OAGPPSTYJWYLJC-UHFFFAOYSA-N 0 0 193.275 1.950 10 0 ADAERN c1snnc1CN[C@@H]1[C@H]2CCC[C@H]21 306954338 487170128 /nfs/dbraw/zinc/17/01/28/487170128.db2.gz NYYUKDXFVMDWJM-BRPSZJMVSA-N 0 0 195.291 1.426 10 0 ADAERN CC1(C(=O)N2Cc3c[nH]nc3C2)CC1 306936878 487170175 /nfs/dbraw/zinc/17/01/75/487170175.db2.gz INCXTUZHHZLHPK-UHFFFAOYSA-N 0 0 191.234 1.052 10 0 ADAERN CCS(=O)(=O)NC1CC(C)(C)C1 306937364 487170338 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NJMDIZOIFGOIQM-UHFFFAOYSA-N 0 0 199.641 1.188 10 0 ADAERN CCc1csc(NCC2COC2)n1 528226002 487293754 /nfs/dbraw/zinc/29/37/54/487293754.db2.gz MAOWSJCRYFZXOY-UHFFFAOYSA-N 0 0 198.291 1.764 10 0 ADAERN C(Nc1nnc(C2CC2)o1)C1COC1 528226746 487293769 /nfs/dbraw/zinc/29/37/69/487293769.db2.gz VPBWMQHUFIJSGT-UHFFFAOYSA-N 0 0 195.222 1.005 10 0 ADAERN Cc1cc(C)nc(NCC2COC2)n1 528226201 487293779 /nfs/dbraw/zinc/29/37/79/487293779.db2.gz NFGWMSWZXRIITF-UHFFFAOYSA-N 0 0 193.250 1.152 10 0 ADAERN C1=CCC(CNc2nncs2)C1 528116889 487293830 /nfs/dbraw/zinc/29/38/30/487293830.db2.gz VWTFUQINIMXWAF-UHFFFAOYSA-N 0 0 181.264 1.916 10 0 ADAERN C1=C(CNc2cccnn2)CCC1 575471851 487294091 /nfs/dbraw/zinc/29/40/91/487294091.db2.gz SJMRIYSQWOTWCC-UHFFFAOYSA-N 0 0 175.235 1.999 10 0 ADAERN CCOCc1nc2cc[nH]c2c(=O)[nH]1 584622385 487295199 /nfs/dbraw/zinc/29/51/99/487295199.db2.gz PYUBMNAROSQFAR-UHFFFAOYSA-N 0 0 193.206 1.200 10 0 ADAERN COC(=O)C1=CCC(C)(C)OC1 584625541 487295314 /nfs/dbraw/zinc/29/53/14/487295314.db2.gz MWQVTOYMGMRQEY-UHFFFAOYSA-N 0 0 170.208 1.285 10 0 ADAERN Nc1ccc([C@H]2CCSC2)cn1 584628785 487295340 /nfs/dbraw/zinc/29/53/40/487295340.db2.gz VBMMSCVVTMKHCW-QMMMGPOBSA-N 0 0 180.276 1.884 10 0 ADAERN COC(=O)[C@H]1CCC(C)(C)OC1 584625670 487295367 /nfs/dbraw/zinc/29/53/67/487295367.db2.gz OPWNMWYOGPDNDF-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN Cc1cccc(O)c1OC(=O)N(C)C 584625618 487295380 /nfs/dbraw/zinc/29/53/80/487295380.db2.gz VHKTYDMUHNZWMQ-UHFFFAOYSA-N 0 0 195.218 1.761 10 0 ADAERN CNc1cc(O)c(C=O)cc1NC 584625682 487295393 /nfs/dbraw/zinc/29/53/93/487295393.db2.gz YUTREEQIJWRVTI-UHFFFAOYSA-N 0 0 180.207 1.288 10 0 ADAERN CCc1nc(CO)c(CC)nc1C 584625586 487295405 /nfs/dbraw/zinc/29/54/05/487295405.db2.gz TUJCXJYDEUXBPG-UHFFFAOYSA-N 0 0 180.251 1.402 10 0 ADAERN CC1(c2ccc(N)nc2)CCOCC1 584628634 487295407 /nfs/dbraw/zinc/29/54/07/487295407.db2.gz POONIAYIZNJPCF-UHFFFAOYSA-N 0 0 192.262 1.732 10 0 ADAERN Cn1cc(-c2cnc(N)cc2F)cn1 584628289 487295435 /nfs/dbraw/zinc/29/54/35/487295435.db2.gz GXUANCPSPSFOIB-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN COC(=O)[C@@H]1CCC(C)(C)OC1 584625669 487295464 /nfs/dbraw/zinc/29/54/64/487295464.db2.gz OPWNMWYOGPDNDF-SSDOTTSWSA-N 0 0 172.224 1.365 10 0 ADAERN Nc1ccc(C2=CSCC2)cn1 584628265 487295487 /nfs/dbraw/zinc/29/54/87/487295487.db2.gz DYJXFGHRQOZZDG-UHFFFAOYSA-N 0 0 178.260 2.142 10 0 ADAERN Nc1ccc([C@@H]2CCSC2)cn1 584628784 487295505 /nfs/dbraw/zinc/29/55/05/487295505.db2.gz VBMMSCVVTMKHCW-MRVPVSSYSA-N 0 0 180.276 1.884 10 0 ADAERN Fc1ccc2nnsc2c1 584639662 487296193 /nfs/dbraw/zinc/29/61/93/487296193.db2.gz IAIYEGMKMVOWCY-UHFFFAOYSA-N 0 0 154.169 1.830 10 0 ADAERN Cn1cc(-c2ccc3c[nH]nc3c2)cn1 584639613 487296196 /nfs/dbraw/zinc/29/61/96/487296196.db2.gz SQHMXXKTQYXFRK-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN CCC(=O)c1ccc(NC(C)=O)nc1 584651336 487296593 /nfs/dbraw/zinc/29/65/93/487296593.db2.gz XJDJEHVCCSXPRN-UHFFFAOYSA-N 0 0 192.218 1.633 10 0 ADAERN CCOC(=O)C1=C(O)CCCC1 584651158 487296655 /nfs/dbraw/zinc/29/66/55/487296655.db2.gz CTFWDLWPAQNEKJ-UHFFFAOYSA-N 0 0 169.200 1.267 10 0 ADAERN CCCCc1cc(Cl)nc(NC)n1 584882824 487296792 /nfs/dbraw/zinc/29/67/92/487296792.db2.gz UULHMWSIWHIMQK-UHFFFAOYSA-N 0 0 199.685 2.514 10 0 ADAERN CC[C@@H]1C(=O)N(C2CC2)N=C1C 606248590 487302277 /nfs/dbraw/zinc/30/22/77/487302277.db2.gz CAZOAGOCHUYCRC-QMMMGPOBSA-N 0 0 166.224 1.393 10 0 ADAERN CC(C)SCCOc1ccnnc1 596291819 487300378 /nfs/dbraw/zinc/30/03/78/487300378.db2.gz GFPMLSZPPXKPJE-UHFFFAOYSA-N 0 0 198.291 1.997 10 0 ADAERN CSCCCOc1ccnnc1 596292499 487300449 /nfs/dbraw/zinc/30/04/49/487300449.db2.gz JIUHZBNTBWIMNO-UHFFFAOYSA-N 0 0 184.264 1.609 10 0 ADAERN CSCCn1cc2c(n1)CCOC2 596287649 487300483 /nfs/dbraw/zinc/30/04/83/487300483.db2.gz YAUIITTZFISFGZ-UHFFFAOYSA-N 0 0 198.291 1.319 10 0 ADAERN CCSCCOc1ccnnc1 596291820 487300502 /nfs/dbraw/zinc/30/05/02/487300502.db2.gz GGEPSWFFMYLNDN-UHFFFAOYSA-N 0 0 184.264 1.609 10 0 ADAERN CNC(=O)NC1(C)CC=CC1 606246931 487302260 /nfs/dbraw/zinc/30/22/60/487302260.db2.gz CYSNMXBVRDCMQG-UHFFFAOYSA-N 0 0 154.213 1.024 10 0 ADAERN NC(=O)N1CCC12CCCC2 606247027 487302287 /nfs/dbraw/zinc/30/22/87/487302287.db2.gz KVHTVLWBLNQFJU-UHFFFAOYSA-N 0 0 154.213 1.084 10 0 ADAERN CC(=O)N1CCC12CCCC2 606246306 487302313 /nfs/dbraw/zinc/30/23/13/487302313.db2.gz WKPZQQZQYGYALA-UHFFFAOYSA-N 0 0 153.225 1.551 10 0 ADAERN C1=C(Cn2ccnn2)CCC1 606246193 487302347 /nfs/dbraw/zinc/30/23/47/487302347.db2.gz FQLDTFAZWMQQKI-UHFFFAOYSA-N 0 0 149.197 1.388 10 0 ADAERN CC[C@H]1C(=O)N(C2CC2)N=C1C 606248589 487302444 /nfs/dbraw/zinc/30/24/44/487302444.db2.gz CAZOAGOCHUYCRC-MRVPVSSYSA-N 0 0 166.224 1.393 10 0 ADAERN NC(=O)N1CCCC2(CC1)CC2 606250771 487302741 /nfs/dbraw/zinc/30/27/41/487302741.db2.gz GMNBRLDUNQEVIS-UHFFFAOYSA-N 0 0 168.240 1.331 10 0 ADAERN CCC(=O)N1OC2CCC1CC2 606250088 487302811 /nfs/dbraw/zinc/30/28/11/487302811.db2.gz NMLXSCUKVLCFHI-UHFFFAOYSA-N 0 0 169.224 1.481 10 0 ADAERN CCC(=O)N1CCC12CCCC2 606250400 487302858 /nfs/dbraw/zinc/30/28/58/487302858.db2.gz IQRVAGRJCCGHDX-UHFFFAOYSA-N 0 0 167.252 1.942 10 0 ADAERN CCC(=O)Nc1cc(C)cc(N)c1 606253848 487302980 /nfs/dbraw/zinc/30/29/80/487302980.db2.gz SZVUADCDWSNIBL-UHFFFAOYSA-N 0 0 178.235 1.926 10 0 ADAERN NC(=O)NC[C@H]1CCCC12CC2 606251375 487302984 /nfs/dbraw/zinc/30/29/84/487302984.db2.gz VJEVDSPOSUFIJL-SSDOTTSWSA-N 0 0 168.240 1.235 10 0 ADAERN CNC(=O)N1CCC12CCCC2 606250750 487303015 /nfs/dbraw/zinc/30/30/15/487303015.db2.gz FQUUMQWYLHHMGY-UHFFFAOYSA-N 0 0 168.240 1.344 10 0 ADAERN NC(=O)NC[C@@H]1CCCC12CC2 606251376 487303108 /nfs/dbraw/zinc/30/31/08/487303108.db2.gz VJEVDSPOSUFIJL-ZETCQYMHSA-N 0 0 168.240 1.235 10 0 ADAERN CC(=O)N1CC[C@@H](C)O[C@@H](C)C1 606252687 487303089 /nfs/dbraw/zinc/30/30/89/487303089.db2.gz VFEYOAYVJSDWBD-SFYZADRCSA-N 0 0 171.240 1.032 10 0 ADAERN CN(C)C(=O)N1CCC12CCCC2 606257159 487303319 /nfs/dbraw/zinc/30/33/19/487303319.db2.gz KNHWZVMXPABZCS-UHFFFAOYSA-N 0 0 182.267 1.687 10 0 ADAERN CC1(C)CO[C@@H](Cn2ccnn2)C1 606256514 487303340 /nfs/dbraw/zinc/30/33/40/487303340.db2.gz RHOOBURNQVKLEI-MRVPVSSYSA-N 0 0 181.239 1.093 10 0 ADAERN O=C(C1CC1)N1OC2CCC1CC2 606256269 487303567 /nfs/dbraw/zinc/30/35/67/487303567.db2.gz CCVKJIFWQOGLEF-UHFFFAOYSA-N 0 0 181.235 1.481 10 0 ADAERN CC1(C)CO[C@H](Cn2ccnn2)C1 606256516 487303353 /nfs/dbraw/zinc/30/33/53/487303353.db2.gz RHOOBURNQVKLEI-QMMMGPOBSA-N 0 0 181.239 1.093 10 0 ADAERN Cc1cn(C)nc1NC(=O)C(C)C 606256342 487303368 /nfs/dbraw/zinc/30/33/68/487303368.db2.gz LHJPHDAUSISZQP-UHFFFAOYSA-N 0 0 181.239 1.323 10 0 ADAERN CC(=O)N1CCO[C@](C)(C2CC2)C1 606257748 487303408 /nfs/dbraw/zinc/30/34/08/487303408.db2.gz OISBKCQWIFRXFN-JTQLQIEISA-N 0 0 183.251 1.034 10 0 ADAERN O=C(C1CCCC1)N1CC=CCN1 606254960 487303423 /nfs/dbraw/zinc/30/34/23/487303423.db2.gz UGVYCQHKDHSREC-UHFFFAOYSA-N 0 0 180.251 1.080 10 0 ADAERN CC(C)C(=O)N1CC2(CCCO2)C1 606257690 487303433 /nfs/dbraw/zinc/30/34/33/487303433.db2.gz CKSFGRVTFYEFQL-UHFFFAOYSA-N 0 0 183.251 1.034 10 0 ADAERN CC1(C)CO[C@@H](Cn2ccnc2)C1 606255082 487303437 /nfs/dbraw/zinc/30/34/37/487303437.db2.gz ZPLXSFMMEDPUNY-SECBINFHSA-N 0 0 180.251 1.698 10 0 ADAERN CC(C)C(=O)N1OC2CCC1CC2 606257449 487303446 /nfs/dbraw/zinc/30/34/46/487303446.db2.gz VDGFHLJZNQXWNF-UHFFFAOYSA-N 0 0 183.251 1.727 10 0 ADAERN Cc1cn(C)nc1NC(=O)C1CC1 606254784 487303511 /nfs/dbraw/zinc/30/35/11/487303511.db2.gz SIAHGZWXPKFQEZ-UHFFFAOYSA-N 0 0 179.223 1.077 10 0 ADAERN O=C(C1CC1)N1CCC12CCCC2 606255680 487303558 /nfs/dbraw/zinc/30/35/58/487303558.db2.gz XAFBBAOELTYNQY-UHFFFAOYSA-N 0 0 179.263 1.942 10 0 ADAERN CC(=O)N1CCO[C@@](C)(C2CC2)C1 606257749 487303606 /nfs/dbraw/zinc/30/36/06/487303606.db2.gz OISBKCQWIFRXFN-SNVBAGLBSA-N 0 0 183.251 1.034 10 0 ADAERN CCNC(=O)N1CCC12CCCC2 606257379 487303767 /nfs/dbraw/zinc/30/37/67/487303767.db2.gz VNPCCRRKIGBLJT-UHFFFAOYSA-N 0 0 182.267 1.734 10 0 ADAERN CCC(=O)N1CC[C@@H](C)O[C@@H](C)C1 606257883 487303786 /nfs/dbraw/zinc/30/37/86/487303786.db2.gz IMTZWAODRBGTDM-BDAKNGLRSA-N 0 0 185.267 1.422 10 0 ADAERN CC1(C)CO[C@H](Cn2ccnc2)C1 606255083 487303862 /nfs/dbraw/zinc/30/38/62/487303862.db2.gz ZPLXSFMMEDPUNY-VIFPVBQESA-N 0 0 180.251 1.698 10 0 ADAERN Cc1cccc(NC2CC(CO)C2)n1 606265450 487304048 /nfs/dbraw/zinc/30/40/48/487304048.db2.gz FCLRGMNOPLAQEH-UHFFFAOYSA-N 0 0 192.262 1.573 10 0 ADAERN Cc1cc(=O)n(-c2ccncc2C)[nH]1 606260874 487304097 /nfs/dbraw/zinc/30/40/97/487304097.db2.gz KVYHQJFYNWHMIY-UHFFFAOYSA-N 0 0 189.218 1.503 10 0 ADAERN Cc1cn(C)nc1NCc1ncc[nH]1 606263745 487304314 /nfs/dbraw/zinc/30/43/14/487304314.db2.gz PGLITXNRVYNGJP-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN Cc1ccoc1C(=O)N1CC=CCN1 606264451 487304067 /nfs/dbraw/zinc/30/40/67/487304067.db2.gz PKFGLKJLQFUFRD-UHFFFAOYSA-N 0 0 192.218 1.105 10 0 ADAERN Cc1cc(NS(C)(=O)=O)cs1 606263842 487304330 /nfs/dbraw/zinc/30/43/30/487304330.db2.gz GLXSKPNWZIDBMV-UHFFFAOYSA-N 0 0 191.277 1.428 10 0 ADAERN Cc1cc(N)cc(NC(=O)C2CC2)c1 606263131 487304392 /nfs/dbraw/zinc/30/43/92/487304392.db2.gz ALBBCWBTQBVOLJ-UHFFFAOYSA-N 0 0 190.246 1.926 10 0 ADAERN Cc1occc1C(=O)N1CC=CCN1 606264381 487304448 /nfs/dbraw/zinc/30/44/48/487304448.db2.gz CWARCRBAYCXXKI-UHFFFAOYSA-N 0 0 192.218 1.105 10 0 ADAERN Cc1nn(CC2(C)CCC2)c(=O)n1C 606270109 487304833 /nfs/dbraw/zinc/30/48/33/487304833.db2.gz WGFUNRHEKLPVTK-UHFFFAOYSA-N 0 0 195.266 1.080 10 0 ADAERN Cc1cn(C)nc1NC(=O)NC1CC1 606267917 487304844 /nfs/dbraw/zinc/30/48/44/487304844.db2.gz WRDYLWCOAWDDQZ-UHFFFAOYSA-N 0 0 194.238 1.012 10 0 ADAERN O=C(C1CCCCC1)N1CC=CCN1 606268993 487304895 /nfs/dbraw/zinc/30/48/95/487304895.db2.gz LSNIMJATJMCZOK-UHFFFAOYSA-N 0 0 194.278 1.470 10 0 ADAERN Fc1cnccc1N[C@@H]1CCCOC1 606270634 487304898 /nfs/dbraw/zinc/30/48/98/487304898.db2.gz YLCNPQMFCQBMRR-MRVPVSSYSA-N 0 0 196.225 1.234 10 0 ADAERN Fc1cnccc1N[C@H]1CCCOC1 606270635 487304909 /nfs/dbraw/zinc/30/49/09/487304909.db2.gz YLCNPQMFCQBMRR-QMMMGPOBSA-N 0 0 196.225 1.234 10 0 ADAERN OCC1CC(Nc2ccc(F)cn2)C1 606270427 487304939 /nfs/dbraw/zinc/30/49/39/487304939.db2.gz ILLSFHHTCBPWGQ-UHFFFAOYSA-N 0 0 196.225 1.404 10 0 ADAERN Cc1cn(C)nc1NC(=O)C(C)(C)C 606269223 487305038 /nfs/dbraw/zinc/30/50/38/487305038.db2.gz ADUMJQCGXBBMJF-UHFFFAOYSA-N 0 0 195.266 1.713 10 0 ADAERN OCC1CC(Nc2ncccc2F)C1 606270442 487305040 /nfs/dbraw/zinc/30/50/40/487305040.db2.gz JDBUIMHGLGLWKW-UHFFFAOYSA-N 0 0 196.225 1.404 10 0 ADAERN COCC(=O)Nc1cc(C)cc(N)c1 606267535 487305054 /nfs/dbraw/zinc/30/50/54/487305054.db2.gz LRONIBSMOIPSBZ-UHFFFAOYSA-N 0 0 194.234 1.162 10 0 ADAERN Cc1ccnc(NC2CC(CO)C2)c1 606265685 487305128 /nfs/dbraw/zinc/30/51/28/487305128.db2.gz RAJZOFXCZBHSHR-UHFFFAOYSA-N 0 0 192.262 1.573 10 0 ADAERN CCNC(=O)Nc1cc(C)cc(N)c1 606265956 487305147 /nfs/dbraw/zinc/30/51/47/487305147.db2.gz ZLWLCBBRCNCCRE-UHFFFAOYSA-N 0 0 193.250 1.719 10 0 ADAERN Cc1nn(CC2=CCCC2)c(=O)n1C 606266559 487305188 /nfs/dbraw/zinc/30/51/88/487305188.db2.gz MTHUXSIVODTGET-UHFFFAOYSA-N 0 0 193.250 1.001 10 0 ADAERN CCN(C)C(=O)Nc1nn(C)cc1C 606271203 487305486 /nfs/dbraw/zinc/30/54/86/487305486.db2.gz SJOJJVKUJFGFSP-UHFFFAOYSA-N 0 0 196.254 1.212 10 0 ADAERN CCCNC(=O)Nc1nn(C)cc1C 606271055 487305502 /nfs/dbraw/zinc/30/55/02/487305502.db2.gz AFVBOEOIBWUGTL-UHFFFAOYSA-N 0 0 196.254 1.260 10 0 ADAERN Cc1cn(C)nc1NC(=O)NC(C)C 606271162 487305562 /nfs/dbraw/zinc/30/55/62/487305562.db2.gz MIGYFXKDPDIGCE-UHFFFAOYSA-N 0 0 196.254 1.258 10 0 ADAERN CC(=O)NC[C@@H]1CCC2(CCCC2)O1 606272606 487305638 /nfs/dbraw/zinc/30/56/38/487305638.db2.gz UTGQAUDYRHLIHS-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN CNC(=O)N1CCC(C2CCC2)CC1 606271448 487305640 /nfs/dbraw/zinc/30/56/40/487305640.db2.gz QMBWQPMZXUWDLB-UHFFFAOYSA-N 0 0 196.294 1.838 10 0 ADAERN NC(=O)NC[C@H]1CCC2(CCCC2)O1 606273208 487305644 /nfs/dbraw/zinc/30/56/44/487305644.db2.gz LRGMXYGAIDZIBV-MRVPVSSYSA-N 0 0 198.266 1.147 10 0 ADAERN CC1CC(C(=O)N2CCC[C@@H](O)C2)C1 606272569 487305671 /nfs/dbraw/zinc/30/56/71/487305671.db2.gz PRULBUFUAUQBEP-UDNWOFFPSA-N 0 0 197.278 1.016 10 0 ADAERN CC1CN(C(=O)NC2CCCCC2)C1 606271539 487305681 /nfs/dbraw/zinc/30/56/81/487305681.db2.gz SCFPEJRMYWUPRM-UHFFFAOYSA-N 0 0 196.294 1.980 10 0 ADAERN CC1CN(C(=O)N2CCCCCC2)C1 606271573 487305724 /nfs/dbraw/zinc/30/57/24/487305724.db2.gz VFIUDVFHNDPKJZ-UHFFFAOYSA-N 0 0 196.294 1.934 10 0 ADAERN CC(=O)NC[C@H]1CCC2(CCCC2)O1 606272615 487305727 /nfs/dbraw/zinc/30/57/27/487305727.db2.gz UTGQAUDYRHLIHS-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN C[C@@H]1C[C@H](O)CCN1C(=O)C(C)(C)C 606273668 487305747 /nfs/dbraw/zinc/30/57/47/487305747.db2.gz ABFWYNSUWQKMCA-RKDXNWHRSA-N 0 0 199.294 1.404 10 0 ADAERN NC(=O)NC[C@@H]1CCC2(CCCC2)O1 606273221 487305750 /nfs/dbraw/zinc/30/57/50/487305750.db2.gz LRGMXYGAIDZIBV-QMMMGPOBSA-N 0 0 198.266 1.147 10 0 ADAERN CC1(C)CO[C@@H](CN2CCOCC2)C1 606273692 487305759 /nfs/dbraw/zinc/30/57/59/487305759.db2.gz DKERJCKIUAAPKG-SNVBAGLBSA-N 0 0 199.294 1.134 10 0 ADAERN CC1(C)CO[C@H](CN2CCOCC2)C1 606273691 487305793 /nfs/dbraw/zinc/30/57/93/487305793.db2.gz DKERJCKIUAAPKG-JTQLQIEISA-N 0 0 199.294 1.134 10 0 ADAERN CC(C)(C)C(=O)N1CC2(CCCO2)C1 606271857 487305816 /nfs/dbraw/zinc/30/58/16/487305816.db2.gz DYLFMAXHFDEJJU-UHFFFAOYSA-N 0 0 197.278 1.424 10 0 ADAERN CNC(=O)NCC1C[C@H](C)C[C@@H](C)C1 606275054 487306144 /nfs/dbraw/zinc/30/61/44/487306144.db2.gz VKMROINUDVMKLV-RKDXNWHRSA-N 0 0 198.310 1.988 10 0 ADAERN CNC(=O)NC[C@@H]1C[C@@H](C)C[C@@H](C)C1 606275051 487306179 /nfs/dbraw/zinc/30/61/79/487306179.db2.gz VKMROINUDVMKLV-MYJAWHEDSA-N 0 0 198.310 1.988 10 0 ADAERN CNC(=O)NCC1C[C@@H](C)C[C@H](C)C1 606275047 487306217 /nfs/dbraw/zinc/30/62/17/487306217.db2.gz VKMROINUDVMKLV-IUCAKERBSA-N 0 0 198.310 1.988 10 0 ADAERN C[C@]1(CNc2ncccn2)CC1(F)F 606274088 487306224 /nfs/dbraw/zinc/30/62/24/487306224.db2.gz QTLBIYZJWVHMEH-MRVPVSSYSA-N 0 0 199.204 1.934 10 0 ADAERN C[C@]1(CNc2cnccn2)CC1(F)F 606274160 487306227 /nfs/dbraw/zinc/30/62/27/487306227.db2.gz WSVYSMOKCGJGQD-MRVPVSSYSA-N 0 0 199.204 1.934 10 0 ADAERN C[C@@]1(CNc2ncccn2)CC1(F)F 606274094 487306230 /nfs/dbraw/zinc/30/62/30/487306230.db2.gz QTLBIYZJWVHMEH-QMMMGPOBSA-N 0 0 199.204 1.934 10 0 ADAERN C[C@@]1(CNc2cnccn2)CC1(F)F 606274161 487306271 /nfs/dbraw/zinc/30/62/71/487306271.db2.gz WSVYSMOKCGJGQD-QMMMGPOBSA-N 0 0 199.204 1.934 10 0 ADAERN C[C@@H](CO)CN(C#N)c1ccccc1 611226023 487306741 /nfs/dbraw/zinc/30/67/41/487306741.db2.gz KCQCXIOREPAYLI-SNVBAGLBSA-N 0 0 190.246 1.602 10 0 ADAERN C[C@H](CO)CN(C#N)c1ccccc1 611226022 487306785 /nfs/dbraw/zinc/30/67/85/487306785.db2.gz KCQCXIOREPAYLI-JTQLQIEISA-N 0 0 190.246 1.602 10 0 ADAERN O=C(CCCF)NC1(C(F)F)CC1 614495508 487307279 /nfs/dbraw/zinc/30/72/79/487307279.db2.gz HXMUNRMHIGCLLD-UHFFFAOYSA-N 0 0 195.184 1.650 10 0 ADAERN CCc1cc(NC(=O)CCCF)n[nH]1 616353379 487307854 /nfs/dbraw/zinc/30/78/54/487307854.db2.gz VIGJECOQFLHENY-UHFFFAOYSA-N 0 0 199.229 1.660 10 0 ADAERN Cc1cn(C)nc1NC(=O)C1=CCC1 622986805 487308061 /nfs/dbraw/zinc/30/80/61/487308061.db2.gz KTPSMCAEHKYCCI-UHFFFAOYSA-N 0 0 191.234 1.387 10 0 ADAERN Cc1cn(C)nc1NC(=O)C1CCC1 620918936 487308072 /nfs/dbraw/zinc/30/80/72/487308072.db2.gz NPDBMQPPMCYXPE-UHFFFAOYSA-N 0 0 193.250 1.467 10 0 ADAERN CC[C@@H](C)C(=O)Nc1nn(C)cc1C 620920676 487308089 /nfs/dbraw/zinc/30/80/89/487308089.db2.gz PLSVYHOYISAVMG-SSDOTTSWSA-N 0 0 195.266 1.713 10 0 ADAERN CC[C@H](C)C(=O)Nc1nn(C)cc1C 620920677 487308092 /nfs/dbraw/zinc/30/80/92/487308092.db2.gz PLSVYHOYISAVMG-ZETCQYMHSA-N 0 0 195.266 1.713 10 0 ADAERN FC1(F)C[C@@H]1CCNc1cccnn1 621345577 487308170 /nfs/dbraw/zinc/30/81/70/487308170.db2.gz QANUNURFDHYVQO-ZETCQYMHSA-N 0 0 199.204 1.934 10 0 ADAERN Cc1cn(C)nc1NC(=O)C1(C)CC1 620924767 487308212 /nfs/dbraw/zinc/30/82/12/487308212.db2.gz UNMUJPQZIIAKFE-UHFFFAOYSA-N 0 0 193.250 1.467 10 0 ADAERN Cc1cn(C)nc1NC(=O)[C@H]1C[C@H]1C 620918234 487308243 /nfs/dbraw/zinc/30/82/43/487308243.db2.gz FQVKQECPTHIJIV-SVRRBLITSA-N 0 0 193.250 1.323 10 0 ADAERN FC1(F)C[C@H]1CCNc1cccnn1 621345576 487308226 /nfs/dbraw/zinc/30/82/26/487308226.db2.gz QANUNURFDHYVQO-SSDOTTSWSA-N 0 0 199.204 1.934 10 0 ADAERN Cc1cn(C)nc1NC(=O)[C@@H]1C[C@@H]1C 620918233 487308262 /nfs/dbraw/zinc/30/82/62/487308262.db2.gz FQVKQECPTHIJIV-POYBYMJQSA-N 0 0 193.250 1.323 10 0 ADAERN Cc1cn(C)nc1NC(=O)[C@@H]1C[C@H]1C 620918228 487308363 /nfs/dbraw/zinc/30/83/63/487308363.db2.gz FQVKQECPTHIJIV-HTRCEHHLSA-N 0 0 193.250 1.323 10 0 ADAERN CCn1ccc(NC(=O)C2=CCC2)n1 622930148 487308372 /nfs/dbraw/zinc/30/83/72/487308372.db2.gz PDYPFVYZPCKQKZ-UHFFFAOYSA-N 0 0 191.234 1.562 10 0 ADAERN Cc1cn(C)nc1NC(=O)[C@H]1C[C@@H]1C 620918235 487308380 /nfs/dbraw/zinc/30/83/80/487308380.db2.gz FQVKQECPTHIJIV-XPUUQOCRSA-N 0 0 193.250 1.323 10 0 ADAERN Cn1ccc(NC(=O)C23CC(C2)C3)n1 623583118 487308748 /nfs/dbraw/zinc/30/87/48/487308748.db2.gz UGVWAPCELRRIEM-UHFFFAOYSA-N 0 0 191.234 1.159 10 0 ADAERN Cc1cc(NC(=O)C23CC(C2)C3)no1 623545417 487308763 /nfs/dbraw/zinc/30/87/63/487308763.db2.gz MHLYRJPXAXYLBZ-UHFFFAOYSA-N 0 0 192.218 1.722 10 0 ADAERN CC(F)(F)CN[C@@H]1CCCC[C@H]1O 642846326 487309776 /nfs/dbraw/zinc/30/97/76/487309776.db2.gz XQEUAUVZCAJLJN-HTQZYQBOSA-N 0 0 193.237 1.535 10 0 ADAERN CC[C@H](C)C(=O)Nc1nccn1CC 665670745 487313252 /nfs/dbraw/zinc/31/32/52/487313252.db2.gz TZXJSWMHWTZDTM-QMMMGPOBSA-N 0 0 195.266 1.888 10 0 ADAERN CCC[C@@H](O)CSc1cccnn1 665686878 487313306 /nfs/dbraw/zinc/31/33/06/487313306.db2.gz ZVGUVPYHRHXQOB-MRVPVSSYSA-N 0 0 198.291 1.730 10 0 ADAERN CCn1ccnc1NC(=O)C1CCC1 665670695 487313330 /nfs/dbraw/zinc/31/33/30/487313330.db2.gz YNJKFGQMKKUEON-UHFFFAOYSA-N 0 0 193.250 1.642 10 0 ADAERN c1cn(CCOCC2CCCC2)nn1 665687014 487313388 /nfs/dbraw/zinc/31/33/88/487313388.db2.gz FGVOTTIVOZGFTI-UHFFFAOYSA-N 0 0 195.266 1.485 10 0 ADAERN CC[C@@H](C)C(=O)Nc1nccn1CC 665670744 487313398 /nfs/dbraw/zinc/31/33/98/487313398.db2.gz TZXJSWMHWTZDTM-MRVPVSSYSA-N 0 0 195.266 1.888 10 0 ADAERN CCn1ccnc1NC(=O)[C@@H]1C[C@@H]1C 665670659 487313425 /nfs/dbraw/zinc/31/34/25/487313425.db2.gz BPHMRTJFYSYAAY-JGVFFNPUSA-N 0 0 193.250 1.498 10 0 ADAERN CCn1ccnc1NC(=O)[C@H]1C[C@@H]1C 665670661 487313446 /nfs/dbraw/zinc/31/34/46/487313446.db2.gz BPHMRTJFYSYAAY-YUMQZZPRSA-N 0 0 193.250 1.498 10 0 ADAERN CCn1ccnc1NC(=O)[C@H]1C[C@H]1C 665670660 487313515 /nfs/dbraw/zinc/31/35/15/487313515.db2.gz BPHMRTJFYSYAAY-SFYZADRCSA-N 0 0 193.250 1.498 10 0 ADAERN CCn1ccnc1NC(=O)[C@@H]1C[C@H]1C 665670658 487313525 /nfs/dbraw/zinc/31/35/25/487313525.db2.gz BPHMRTJFYSYAAY-HTQZYQBOSA-N 0 0 193.250 1.498 10 0 ADAERN CCCC(=O)Nc1nccn1CC 665670680 487313547 /nfs/dbraw/zinc/31/35/47/487313547.db2.gz TZORZZKFVRHWJV-UHFFFAOYSA-N 0 0 181.239 1.642 10 0 ADAERN CCn1ccnc1NC(=O)CC1CC1 665670709 487313584 /nfs/dbraw/zinc/31/35/84/487313584.db2.gz DJHBZFMTQDANRN-UHFFFAOYSA-N 0 0 193.250 1.642 10 0 ADAERN CCn1ccnc1NC(=O)CC(C)C 665670683 487313588 /nfs/dbraw/zinc/31/35/88/487313588.db2.gz VRMJIRSLYUBAJV-UHFFFAOYSA-N 0 0 195.266 1.888 10 0 ADAERN CCC[C@H](O)CSc1cccnn1 665686879 487313604 /nfs/dbraw/zinc/31/36/04/487313604.db2.gz ZVGUVPYHRHXQOB-QMMMGPOBSA-N 0 0 198.291 1.730 10 0 ADAERN CCC1CN(c2nnc(C)c(C)n2)C1 665726723 487313963 /nfs/dbraw/zinc/31/39/63/487313963.db2.gz DLVVVFCRCNTPBI-UHFFFAOYSA-N 0 0 192.266 1.335 10 0 ADAERN CC(C)c1nccnc1N(C)CCO 665688588 487313969 /nfs/dbraw/zinc/31/39/69/487313969.db2.gz ASPGVPRPQKVNPS-UHFFFAOYSA-N 0 0 195.266 1.029 10 0 ADAERN CC(C)c1nccnc1NCCCO 665688587 487314004 /nfs/dbraw/zinc/31/40/04/487314004.db2.gz ANAFXGKKCGKUOX-UHFFFAOYSA-N 0 0 195.266 1.394 10 0 ADAERN CCc1cc(N2CC(CC)C2)ncn1 665726781 487314045 /nfs/dbraw/zinc/31/40/45/487314045.db2.gz HNBWYBLEFNPILV-UHFFFAOYSA-N 0 0 191.278 1.885 10 0 ADAERN CC(C)c1nccnc1NCCF 665716466 487314182 /nfs/dbraw/zinc/31/41/82/487314182.db2.gz NYORAOYFSHLDGR-UHFFFAOYSA-N 0 0 183.230 1.981 10 0 ADAERN CCO[C@H]1C[C@@H](Nc2cccnn2)C1 665730454 487314216 /nfs/dbraw/zinc/31/42/16/487314216.db2.gz DJASSIBDSQUFHD-DTORHVGOSA-N 0 0 193.250 1.456 10 0 ADAERN CC(C)c1nccnc1NCCO 665688617 487314276 /nfs/dbraw/zinc/31/42/76/487314276.db2.gz NCGBWOSYGOZNAN-UHFFFAOYSA-N 0 0 181.239 1.004 10 0 ADAERN COCC[C@H](C)CNc1cccnn1 665743924 487314708 /nfs/dbraw/zinc/31/47/08/487314708.db2.gz 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/nfs/dbraw/zinc/35/63/13/487356313.db2.gz PFVZWRACNHNCGH-UHFFFAOYSA-N 0 0 197.213 1.751 10 0 ADAERN CCCN(C)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 667553660 487356321 /nfs/dbraw/zinc/35/63/21/487356321.db2.gz XRWNNCHWMKOHJR-MYJAWHEDSA-N 0 0 181.279 1.901 10 0 ADAERN COCC[C@H](C)CNC(=O)C1=CCC1 667723965 487356346 /nfs/dbraw/zinc/35/63/46/487356346.db2.gz PQJRCXWLGRCJKM-VIFPVBQESA-N 0 0 197.278 1.495 10 0 ADAERN CCNC(=O)Nc1cc(F)ccn1 667645107 487356380 /nfs/dbraw/zinc/35/63/80/487356380.db2.gz DXJVNLDEDNPPDN-UHFFFAOYSA-N 0 0 183.186 1.362 10 0 ADAERN O=C(Nc1cc(F)ccn1)NC1CC1 667645702 487356563 /nfs/dbraw/zinc/35/65/63/487356563.db2.gz YRJXLOJKUYERHG-UHFFFAOYSA-N 0 0 195.197 1.505 10 0 ADAERN CCCNC(=O)Nc1cc(F)ccn1 667645211 487356531 /nfs/dbraw/zinc/35/65/31/487356531.db2.gz IMVNFCBTHPBZJP-UHFFFAOYSA-N 0 0 197.213 1.752 10 0 ADAERN CCCN(C)C(=O)[C@@H](OC)C1CCC1 667553565 487356591 /nfs/dbraw/zinc/35/65/91/487356591.db2.gz VYDVFVRGXMDOSK-JTQLQIEISA-N 0 0 199.294 1.670 10 0 ADAERN 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804688354 582464742 /nfs/dbraw/zinc/46/47/42/582464742.db2.gz JDKBUXWRDMOILY-VHSXEESVSA-N 0 0 189.262 1.692 10 0 ADAERN CCc1cc(N2CC[C@@H]3C[C@@H]32)ncn1 804687427 582464852 /nfs/dbraw/zinc/46/48/52/582464852.db2.gz AAOXQSYFQZEIFQ-SCZZXKLOSA-N 0 0 189.262 1.638 10 0 ADAERN COc1ccnc(N2CC[C@H]3C[C@H]32)n1 804687645 582464878 /nfs/dbraw/zinc/46/48/78/582464878.db2.gz CAWWKUPJMWCUSJ-JGVFFNPUSA-N 0 0 191.234 1.084 10 0 ADAERN CC1(C)CNC2(COC2)OC1(C)C 757147756 582465220 /nfs/dbraw/zinc/46/52/20/582465220.db2.gz SVSQKSBTPJJGOQ-UHFFFAOYSA-N 0 0 185.267 1.138 10 0 ADAERN CC1(C)CC2(C1)NCC(F)(F)CO2 757146277 582465446 /nfs/dbraw/zinc/46/54/46/582465446.db2.gz KGMUMBDPOKGLCX-UHFFFAOYSA-N 0 0 191.221 1.758 10 0 ADAERN C1CCC2(C1)NC1(CCO2)COC1 757150717 582465789 /nfs/dbraw/zinc/46/57/89/582465789.db2.gz RWEAVGINWDPNJK-UHFFFAOYSA-N 0 0 183.251 1.036 10 0 ADAERN C[C@@H]1N[C@@H](c2ccco2)CCO1 757150121 582465835 /nfs/dbraw/zinc/46/58/35/582465835.db2.gz PBLZRXFQULKUQL-HTQZYQBOSA-N 0 0 167.208 1.677 10 0 ADAERN CCC1(CC)CCNC2(COC2)O1 757149078 582465991 /nfs/dbraw/zinc/46/59/91/582465991.db2.gz VZQGDTSASFZGLO-UHFFFAOYSA-N 0 0 185.267 1.282 10 0 ADAERN C[C@H]1N[C@H](c2ccco2)CCO1 757150146 582466084 /nfs/dbraw/zinc/46/60/84/582466084.db2.gz PBLZRXFQULKUQL-YUMQZZPRSA-N 0 0 167.208 1.677 10 0 ADAERN C[C@H]1N[C@@H](c2ccco2)CCO1 757150134 582466398 /nfs/dbraw/zinc/46/63/98/582466398.db2.gz PBLZRXFQULKUQL-JGVFFNPUSA-N 0 0 167.208 1.677 10 0 ADAERN C[C@@H]1N[C@H](c2ccco2)CCO1 757150144 582466421 /nfs/dbraw/zinc/46/64/21/582466421.db2.gz PBLZRXFQULKUQL-SFYZADRCSA-N 0 0 167.208 1.677 10 0 ADAERN C[C@@]([NH3+])(CCC(F)(F)F)CC(=O)[O-] 757153179 582466608 /nfs/dbraw/zinc/46/66/08/582466608.db2.gz ULPHEHMMGMRUDV-ZCFIWIBFSA-N 0 0 199.172 1.521 10 0 ADAERN CC1(C)CC([C@@H]([NH3+])CC(=O)[O-])C1 757153138 582467031 /nfs/dbraw/zinc/46/70/31/582467031.db2.gz QKNVWPYAWMTRGV-ZETCQYMHSA-N 0 0 171.240 1.225 10 0 ADAERN CC1(C)CC([C@H]([NH3+])CC(=O)[O-])C1 757153133 582467097 /nfs/dbraw/zinc/46/70/97/582467097.db2.gz QKNVWPYAWMTRGV-SSDOTTSWSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@]([NH3+])(CCC(F)(F)F)CC(=O)[O-] 757153164 582467190 /nfs/dbraw/zinc/46/71/90/582467190.db2.gz ULPHEHMMGMRUDV-LURJTMIESA-N 0 0 199.172 1.521 10 0 ADAERN FC1(F)CNC2(CCCCC2)OC1 757153890 582467498 /nfs/dbraw/zinc/46/74/98/582467498.db2.gz YIRFLVDZAUEWML-UHFFFAOYSA-N 0 0 191.221 1.902 10 0 ADAERN CCC1(CC)CNC2(COC2)OC1 757153622 582467720 /nfs/dbraw/zinc/46/77/20/582467720.db2.gz YHUNRVHOIPDREK-UHFFFAOYSA-N 0 0 185.267 1.139 10 0 ADAERN FC1(F)CNC2(CCCC2)OC1 757153415 582467847 /nfs/dbraw/zinc/46/78/47/582467847.db2.gz VEYOWVGBKQNFPT-UHFFFAOYSA-N 0 0 177.194 1.512 10 0 ADAERN Cc1ccoc1CS[C@H]1CNOC1 757162629 582468153 /nfs/dbraw/zinc/46/81/53/582468153.db2.gz AMSMMABSMVNKHD-QMMMGPOBSA-N 0 0 199.275 1.725 10 0 ADAERN Cc1ccoc1CS[C@@H]1CNOC1 757162625 582468566 /nfs/dbraw/zinc/46/85/66/582468566.db2.gz AMSMMABSMVNKHD-MRVPVSSYSA-N 0 0 199.275 1.725 10 0 ADAERN Cc1ccoc1CSCCC(N)=O 757163702 582468602 /nfs/dbraw/zinc/46/86/02/582468602.db2.gz DMONQYXLJNCDNM-UHFFFAOYSA-N 0 0 199.275 1.697 10 0 ADAERN Cc1nccn1-c1cccnc1C=O 757164144 582468737 /nfs/dbraw/zinc/46/87/37/582468737.db2.gz JEPBAJYFGVOHJE-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN O=Cc1ncccc1-n1ccnc1 757164103 582468717 /nfs/dbraw/zinc/46/87/17/582468717.db2.gz DOWXBKMJWLCOBF-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN C[C@@H]1CC=CC[C@H]1NC(=O)C(F)F 890771143 582471325 /nfs/dbraw/zinc/47/13/25/582471325.db2.gz ARSGCMWHRQYEAG-RNFRBKRXSA-N 0 0 189.205 1.722 10 0 ADAERN O=Cc1ncccc1-n1cccn1 757164135 582468866 /nfs/dbraw/zinc/46/88/66/582468866.db2.gz VRHPRNQESUADIO-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN Cc1cnn(-c2cccnc2C=O)c1 757164099 582468983 /nfs/dbraw/zinc/46/89/83/582468983.db2.gz CPUFBTQDAYNBML-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN O=Cc1c(F)cncc1-n1ccnc1 757164118 582468985 /nfs/dbraw/zinc/46/89/85/582468985.db2.gz VMIWBHPKGZLMHI-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN O=Cc1c(F)cncc1-n1cccn1 757164028 582468997 /nfs/dbraw/zinc/46/89/97/582468997.db2.gz AQLGCYRSXDCKJO-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN Cc1ccoc1CSCCO 757164956 582469000 /nfs/dbraw/zinc/46/90/00/582469000.db2.gz CNFYFGPMDLVPAP-UHFFFAOYSA-N 0 0 172.249 1.814 10 0 ADAERN Cc1ccn(-c2cccnc2C=O)n1 757164236 582469051 /nfs/dbraw/zinc/46/90/51/582469051.db2.gz VKESMPHWBYKBSD-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN Cc1cn(-c2cccnc2C=O)cn1 757164091 582469116 /nfs/dbraw/zinc/46/91/16/582469116.db2.gz COVWSLBENZMFBC-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN C[C@@H](C1CCOCC1)n1nccc1N 757166376 582469488 /nfs/dbraw/zinc/46/94/88/582469488.db2.gz RFCVDRZLDLJWCP-QMMMGPOBSA-N 0 0 195.266 1.453 10 0 ADAERN C[C@H](C1CCOCC1)n1ccc(N)n1 757166483 582469324 /nfs/dbraw/zinc/46/93/24/582469324.db2.gz VTUDREVYMJNFDI-MRVPVSSYSA-N 0 0 195.266 1.453 10 0 ADAERN Cc1ccoc1CSCCON 757166851 582469454 /nfs/dbraw/zinc/46/94/54/582469454.db2.gz SLDBZMRUZSJMKP-UHFFFAOYSA-N 0 0 187.264 1.712 10 0 ADAERN Cc1ccoc1CS[C@@H](C)C(N)=O 757166464 582469477 /nfs/dbraw/zinc/46/94/77/582469477.db2.gz QLLURXBYHCPMEA-ZETCQYMHSA-N 0 0 199.275 1.695 10 0 ADAERN C[C@H](C1CCOCC1)n1nccc1N 757166374 582469484 /nfs/dbraw/zinc/46/94/84/582469484.db2.gz RFCVDRZLDLJWCP-MRVPVSSYSA-N 0 0 195.266 1.453 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)C1=CCCCO1 804854486 582475507 /nfs/dbraw/zinc/47/55/07/582475507.db2.gz HYZMMJJGJRCGND-IUCAKERBSA-N 0 0 195.262 1.595 10 0 ADAERN C[C@H](C1CCOCC1)n1[nH]ccc1=O 757165867 582469541 /nfs/dbraw/zinc/46/95/41/582469541.db2.gz OKZFKBKHPMBWIY-MRVPVSSYSA-N 0 0 196.250 1.020 10 0 ADAERN C[C@@H](C1CCOCC1)n1ccc(N)n1 757166485 582469633 /nfs/dbraw/zinc/46/96/33/582469633.db2.gz VTUDREVYMJNFDI-QMMMGPOBSA-N 0 0 195.266 1.453 10 0 ADAERN C[C@@H](C1CCOCC1)n1[nH]ccc1=O 757165872 582469711 /nfs/dbraw/zinc/46/97/11/582469711.db2.gz OKZFKBKHPMBWIY-QMMMGPOBSA-N 0 0 196.250 1.020 10 0 ADAERN Cc1ccoc1CS[C@H](C)C(N)=O 757166315 582469748 /nfs/dbraw/zinc/46/97/48/582469748.db2.gz QLLURXBYHCPMEA-SSDOTTSWSA-N 0 0 199.275 1.695 10 0 ADAERN CCOC(=O)[C@@H](N)C[C@H](C)C1CC1 757170974 582469863 /nfs/dbraw/zinc/46/98/63/582469863.db2.gz XODGBMXDCSIQLY-CBAPKCEASA-N 0 0 185.267 1.313 10 0 ADAERN Nc1c(OCC(F)F)cc[nH]c1=O 757169008 582469909 /nfs/dbraw/zinc/46/99/09/582469909.db2.gz UJKGOVZXFPDALA-UHFFFAOYSA-N 0 0 190.149 1.013 10 0 ADAERN O=c1cc[nH]n1-c1ccc(O)cc1 757170454 582469943 /nfs/dbraw/zinc/46/99/43/582469943.db2.gz GGFSCYMJBQKNNV-UHFFFAOYSA-N 0 0 176.175 1.284 10 0 ADAERN CN1CCCC[C@H]1c1n[nH]cc1N 757170741 582469963 /nfs/dbraw/zinc/46/99/63/582469963.db2.gz JSQWQGFPTBREJO-QMMMGPOBSA-N 0 0 180.255 1.149 10 0 ADAERN CCc1ccc(CSCC(N)=O)o1 757169871 582470009 /nfs/dbraw/zinc/47/00/09/582470009.db2.gz MYZGUBVXZYBMPI-UHFFFAOYSA-N 0 0 199.275 1.561 10 0 ADAERN O=C1CCCc2occc2C1 757169293 582470020 /nfs/dbraw/zinc/47/00/20/582470020.db2.gz BZRBUBJQYQJTEJ-UHFFFAOYSA-N 0 0 150.177 1.728 10 0 ADAERN CCOC(=O)[C@H](N)C[C@H](C)C1CC1 757170975 582470091 /nfs/dbraw/zinc/47/00/91/582470091.db2.gz XODGBMXDCSIQLY-IONNQARKSA-N 0 0 185.267 1.313 10 0 ADAERN NC(=O)/C=C\COc1ccccc1 140498043 582470128 /nfs/dbraw/zinc/47/01/28/582470128.db2.gz PXQDJDYWDUWUIY-DAXSKMNVSA-N 0 0 177.203 1.107 10 0 ADAERN Cc1c(N)cnn1-c1ccc(O)cc1 757170444 582470158 /nfs/dbraw/zinc/47/01/58/582470158.db2.gz FTYQYYUDZFSDEX-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CCOC(=O)[C@@H](N)C[C@@H](C)C1CC1 757170972 582470274 /nfs/dbraw/zinc/47/02/74/582470274.db2.gz XODGBMXDCSIQLY-APPZFPTMSA-N 0 0 185.267 1.313 10 0 ADAERN CN1CCCC[C@@H]1c1n[nH]cc1N 757170740 582470286 /nfs/dbraw/zinc/47/02/86/582470286.db2.gz JSQWQGFPTBREJO-MRVPVSSYSA-N 0 0 180.255 1.149 10 0 ADAERN NC(=O)/C=C/COc1ccccc1 140498195 582470302 /nfs/dbraw/zinc/47/03/02/582470302.db2.gz PXQDJDYWDUWUIY-QPJJXVBHSA-N 0 0 177.203 1.107 10 0 ADAERN CCCCOc1cc[nH]c(=O)c1N 757169058 582470316 /nfs/dbraw/zinc/47/03/16/582470316.db2.gz MLFMWGSEQVPZEW-UHFFFAOYSA-N 0 0 182.223 1.548 10 0 ADAERN CCOC(=O)[C@H](N)C[C@@H](C)C1CC1 757170984 582470324 /nfs/dbraw/zinc/47/03/24/582470324.db2.gz XODGBMXDCSIQLY-VXNVDRBHSA-N 0 0 185.267 1.313 10 0 ADAERN CC[C@H](C)C[N@H+](C)[C@H](C)c1nnn[n-]1 687716178 1441857264 /nfs/dbraw/zinc/85/72/64/1441857264.db2.gz JMWPOHFDBGIPIR-JGVFFNPUSA-N 0 0 197.286 1.239 10 0 ADAERN O=C1CC[C@H](CC2CCC2)O1 757171367 582470626 /nfs/dbraw/zinc/47/06/26/582470626.db2.gz BHHCDUZQTQWXIG-MRVPVSSYSA-N 0 0 154.209 1.882 10 0 ADAERN O=C1CC[C@]2(CC[C@@H]3C[C@@H]32)O1 757171060 582470634 /nfs/dbraw/zinc/47/06/34/582470634.db2.gz NUHZQLZANFESTN-FJXKBIBVSA-N 0 0 152.193 1.492 10 0 ADAERN O=C1CC[C@@H](CC2CCC2)O1 757171375 582470688 /nfs/dbraw/zinc/47/06/88/582470688.db2.gz BHHCDUZQTQWXIG-QMMMGPOBSA-N 0 0 154.209 1.882 10 0 ADAERN O[C@H]1CCCc2occc2C1 757169442 582470703 /nfs/dbraw/zinc/47/07/03/582470703.db2.gz KNKDLDLJCMLXNE-QMMMGPOBSA-N 0 0 152.193 1.519 10 0 ADAERN Cc1cccc(-c2n[nH]cc2N)n1 757171450 582470748 /nfs/dbraw/zinc/47/07/48/582470748.db2.gz RJWSMNZNOYGGHZ-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CCC([NH3+])(CC)[C@@H](C)C(=O)[O-] 757171325 582470789 /nfs/dbraw/zinc/47/07/89/582470789.db2.gz AJKHOYQFVOVAAF-LURJTMIESA-N 0 0 159.229 1.225 10 0 ADAERN CCC([NH3+])(CC)[C@H](C)C(=O)[O-] 757171328 582470876 /nfs/dbraw/zinc/47/08/76/582470876.db2.gz AJKHOYQFVOVAAF-ZCFIWIBFSA-N 0 0 159.229 1.225 10 0 ADAERN O[C@@H]1CCCc2occc2C1 757169440 582470919 /nfs/dbraw/zinc/47/09/19/582470919.db2.gz KNKDLDLJCMLXNE-MRVPVSSYSA-N 0 0 152.193 1.519 10 0 ADAERN CCSC[C@@]1(C)CCC(=O)O1 757171194 582470963 /nfs/dbraw/zinc/47/09/63/582470963.db2.gz QLRXWVYAUROTHU-MRVPVSSYSA-N 0 0 174.265 1.835 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H]1CC=CC[C@H]1C 890771015 582471659 /nfs/dbraw/zinc/47/16/59/582471659.db2.gz JCQSXXRKQYREOG-OPRDCNLKSA-N 0 0 197.278 1.492 10 0 ADAERN CC(C)n1nccc1-c1n[nH]cc1N 757171056 582471007 /nfs/dbraw/zinc/47/10/07/582471007.db2.gz NKESGZYEZLXBJQ-UHFFFAOYSA-N 0 0 191.238 1.436 10 0 ADAERN CCSC[C@]1(C)CCC(=O)O1 757171205 582471033 /nfs/dbraw/zinc/47/10/33/582471033.db2.gz QLRXWVYAUROTHU-QMMMGPOBSA-N 0 0 174.265 1.835 10 0 ADAERN O=C1CC[C@@]2(CC[C@@H]3C[C@@H]32)O1 757171058 582471047 /nfs/dbraw/zinc/47/10/47/582471047.db2.gz NUHZQLZANFESTN-BKPPORCPSA-N 0 0 152.193 1.492 10 0 ADAERN Cc1cc(N)c2c(c1)C(=O)[C@@H](C)O2 757176059 582471175 /nfs/dbraw/zinc/47/11/75/582471175.db2.gz XXJPUUBRHBYINQ-ZCFIWIBFSA-N 0 0 177.203 1.541 10 0 ADAERN CC[C@H]1Oc2c(N)cc(C)cc2C1=O 757175717 582471197 /nfs/dbraw/zinc/47/11/97/582471197.db2.gz IKEFTNWJJKUWII-SECBINFHSA-N 0 0 191.230 1.931 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[C@@H](C)[NH3+] 757173030 582471199 /nfs/dbraw/zinc/47/11/99/582471199.db2.gz WPGTUIZOKXIOPT-RNFRBKRXSA-N 0 0 159.229 1.081 10 0 ADAERN CCC[C@](C)([NH3+])[C@@H](C)C(=O)[O-] 757172908 582471211 /nfs/dbraw/zinc/47/12/11/582471211.db2.gz UHYDTLXSZYYEOK-XPUUQOCRSA-N 0 0 159.229 1.225 10 0 ADAERN Cc1cc(N)c2nc[nH]c(=O)c2c1 757176076 582471222 /nfs/dbraw/zinc/47/12/22/582471222.db2.gz XHTWSSKSYKHVGC-UHFFFAOYSA-N 0 0 175.191 1.226 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])[C@@H](C)C(=O)[O-] 757172955 582471226 /nfs/dbraw/zinc/47/12/26/582471226.db2.gz VVTLIMXHSFLWKI-XVMARJQXSA-N 0 0 159.229 1.081 10 0 ADAERN CC(C)CCc1nn(C)cc1CO 757176097 582471230 /nfs/dbraw/zinc/47/12/30/582471230.db2.gz ZLKWDYCEAQGQLA-UHFFFAOYSA-N 0 0 182.267 1.501 10 0 ADAERN CC[C@H](C)[C@@H]([NH3+])[C@H](C)C(=O)[O-] 757172952 582471267 /nfs/dbraw/zinc/47/12/67/582471267.db2.gz VVTLIMXHSFLWKI-LYFYHCNISA-N 0 0 159.229 1.081 10 0 ADAERN CC[C@H](C)[C@@H]([NH3+])[C@@H](C)C(=O)[O-] 757172953 582471296 /nfs/dbraw/zinc/47/12/96/582471296.db2.gz VVTLIMXHSFLWKI-RRKCRQDMSA-N 0 0 159.229 1.081 10 0 ADAERN [NH3+][C@@H](CC1CCC=CCC1)C(=O)[O-] 757174615 582471302 /nfs/dbraw/zinc/47/13/02/582471302.db2.gz NEZGRHLPKOCXFG-VIFPVBQESA-N 0 0 183.251 1.535 10 0 ADAERN C[C@@H]1Oc2c(N)cccc2C1=O 757175213 582471345 /nfs/dbraw/zinc/47/13/45/582471345.db2.gz JJQJNHYAGALURP-YFKPBYRVSA-N 0 0 163.176 1.232 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])[C@H](C)[NH3+] 757173028 582471444 /nfs/dbraw/zinc/47/14/44/582471444.db2.gz WPGTUIZOKXIOPT-NKWVEPMBSA-N 0 0 159.229 1.081 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[C@H](C)[NH3+] 757173024 582471446 /nfs/dbraw/zinc/47/14/46/582471446.db2.gz WPGTUIZOKXIOPT-BQBZGAKWSA-N 0 0 159.229 1.081 10 0 ADAERN CSC[C@]1(C)CCC(=O)O1 757171909 582471448 /nfs/dbraw/zinc/47/14/48/582471448.db2.gz ZRWRRFXYFKLCKV-ZETCQYMHSA-N 0 0 160.238 1.445 10 0 ADAERN CO[C@@H](C)C(=O)N[C@@H]1CC=CC[C@H]1C 890771014 582471471 /nfs/dbraw/zinc/47/14/71/582471471.db2.gz JCQSXXRKQYREOG-KXUCPTDWSA-N 0 0 197.278 1.492 10 0 ADAERN C[C@H]1Oc2c(N)cccc2C1=O 757175212 582471497 /nfs/dbraw/zinc/47/14/97/582471497.db2.gz JJQJNHYAGALURP-RXMQYKEDSA-N 0 0 163.176 1.232 10 0 ADAERN C[C@@]1(C2CSC2)CCC(=O)O1 757172910 582471505 /nfs/dbraw/zinc/47/15/05/582471505.db2.gz UJYZYFOOMTWFKY-QMMMGPOBSA-N 0 0 172.249 1.445 10 0 ADAERN CC[C@H]1Oc2c(N)cccc2C1=O 757176056 582471524 /nfs/dbraw/zinc/47/15/24/582471524.db2.gz XEDGPMMWGCKHKB-MRVPVSSYSA-N 0 0 177.203 1.623 10 0 ADAERN CCC[C@@](C)([NH3+])[C@H](C)C(=O)[O-] 757172905 582471529 /nfs/dbraw/zinc/47/15/29/582471529.db2.gz UHYDTLXSZYYEOK-HTRCEHHLSA-N 0 0 159.229 1.225 10 0 ADAERN CC(C)Cc1nn(C)cc1CO 757175565 582471547 /nfs/dbraw/zinc/47/15/47/582471547.db2.gz KGJIKYZNHIPARX-UHFFFAOYSA-N 0 0 168.240 1.111 10 0 ADAERN CC(C)CCc1nn(C)cc1C=O 757176017 582471560 /nfs/dbraw/zinc/47/15/60/582471560.db2.gz VOFFSMOMAQGZAH-UHFFFAOYSA-N 0 0 180.251 1.821 10 0 ADAERN Cc1cc(N)c2c(c1)C(=O)[C@H](C)O2 757176058 582471578 /nfs/dbraw/zinc/47/15/78/582471578.db2.gz XXJPUUBRHBYINQ-LURJTMIESA-N 0 0 177.203 1.541 10 0 ADAERN CCCCc1nn(C)cc1CO 757176084 582471607 /nfs/dbraw/zinc/47/16/07/582471607.db2.gz YJGXGWXMCBSENQ-UHFFFAOYSA-N 0 0 168.240 1.255 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])[C@H](C)C(=O)[O-] 757172951 582471608 /nfs/dbraw/zinc/47/16/08/582471608.db2.gz VVTLIMXHSFLWKI-ACZMJKKPSA-N 0 0 159.229 1.081 10 0 ADAERN CCC[C@@](C)([NH3+])[C@@H](C)C(=O)[O-] 757172906 582471609 /nfs/dbraw/zinc/47/16/09/582471609.db2.gz UHYDTLXSZYYEOK-POYBYMJQSA-N 0 0 159.229 1.225 10 0 ADAERN CSC[C@@]1(C)CCC(=O)O1 757171906 582471617 /nfs/dbraw/zinc/47/16/17/582471617.db2.gz ZRWRRFXYFKLCKV-SSDOTTSWSA-N 0 0 160.238 1.445 10 0 ADAERN CCC[C@](C)([NH3+])[C@H](C)C(=O)[O-] 757172907 582471624 /nfs/dbraw/zinc/47/16/24/582471624.db2.gz UHYDTLXSZYYEOK-SVRRBLITSA-N 0 0 159.229 1.225 10 0 ADAERN CCCCCc1nn(C)cc1CO 757176095 582471627 /nfs/dbraw/zinc/47/16/27/582471627.db2.gz ZKDGEHQAIODOSV-UHFFFAOYSA-N 0 0 182.267 1.645 10 0 ADAERN CCC(C)(C)c1nn(C)cc1C=O 757176087 582471629 /nfs/dbraw/zinc/47/16/29/582471629.db2.gz YTLVBMQXSNEGGP-UHFFFAOYSA-N 0 0 180.251 1.920 10 0 ADAERN CC[C@@H]1Oc2c(N)cccc2C1=O 757176057 582471630 /nfs/dbraw/zinc/47/16/30/582471630.db2.gz XEDGPMMWGCKHKB-QMMMGPOBSA-N 0 0 177.203 1.623 10 0 ADAERN C[C@]1(C2CSC2)CCC(=O)O1 757172909 582471634 /nfs/dbraw/zinc/47/16/34/582471634.db2.gz UJYZYFOOMTWFKY-MRVPVSSYSA-N 0 0 172.249 1.445 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])[C@@H](C)[NH3+] 757173034 582471650 /nfs/dbraw/zinc/47/16/50/582471650.db2.gz WPGTUIZOKXIOPT-RQJHMYQMSA-N 0 0 159.229 1.081 10 0 ADAERN CCC(C)(C)c1nn(C)cc1N 757175556 582471669 /nfs/dbraw/zinc/47/16/69/582471669.db2.gz KAKQUFHJQRJNKN-UHFFFAOYSA-N 0 0 167.256 1.690 10 0 ADAERN CCOC(=O)/C=C(/C)[C@@H]1CCCOC1 757190589 582471827 /nfs/dbraw/zinc/47/18/27/582471827.db2.gz LPBTWSVFIPLPBX-UJICNMFASA-N 0 0 198.262 1.922 10 0 ADAERN CC(=O)OCC1Cc2ccccc2C1 141609865 582471829 /nfs/dbraw/zinc/47/18/29/582471829.db2.gz PLXSEOJSGAEQSD-UHFFFAOYSA-N 0 0 190.242 1.965 10 0 ADAERN COC(=O)/C=C(/C)c1cscn1 757190681 582471839 /nfs/dbraw/zinc/47/18/39/582471839.db2.gz BTKXLFHOXAQMGU-UTCJRWHESA-N 0 0 183.232 1.719 10 0 ADAERN CCOC(=O)/C=C(/C)c1ccnn1C 757192022 582471867 /nfs/dbraw/zinc/47/18/67/582471867.db2.gz SFWXFEONHYXNTK-FPLPWBNLSA-N 0 0 194.234 1.387 10 0 ADAERN CCOC(=O)/C=C/c1c(C)cnn1C 757192132 582471880 /nfs/dbraw/zinc/47/18/80/582471880.db2.gz VOWBVHPJWZWXGT-AATRIKPKSA-N 0 0 194.234 1.305 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H](C(CO)CO)C1 757190407 582471899 /nfs/dbraw/zinc/47/18/99/582471899.db2.gz ALZULDREJJZBBK-MYJAWHEDSA-N 0 0 186.295 1.660 10 0 ADAERN COC(=O)/C=C(/C)c1cncs1 757192025 582471905 /nfs/dbraw/zinc/47/19/05/582471905.db2.gz MLNDJIJAHOQNOR-UTCJRWHESA-N 0 0 183.232 1.719 10 0 ADAERN COC(=O)/C=C(/C)c1cccc(N)c1 757191513 582471920 /nfs/dbraw/zinc/47/19/20/582471920.db2.gz HZNMDYREBVPTRX-VURMDHGXSA-N 0 0 191.230 1.845 10 0 ADAERN COC(=O)C=C1CCC2(CC1)COC2 757192068 582471926 /nfs/dbraw/zinc/47/19/26/582471926.db2.gz NPXGAQDDZOFQMD-UHFFFAOYSA-N 0 0 196.246 1.676 10 0 ADAERN CCOC(=O)/C=C1/COC[C@H]1C 757190634 582471939 /nfs/dbraw/zinc/47/19/39/582471939.db2.gz MVZDXQWDBANECR-UDGZVJEDSA-N 0 0 170.208 1.142 10 0 ADAERN C[C@H]1CC(C(CO)CO)C[C@H](C)C1 757190410 582471961 /nfs/dbraw/zinc/47/19/61/582471961.db2.gz ALZULDREJJZBBK-RKDXNWHRSA-N 0 0 186.295 1.660 10 0 ADAERN CCOC(=O)/C=C1/COC[C@@H]1C 757190633 582471991 /nfs/dbraw/zinc/47/19/91/582471991.db2.gz MVZDXQWDBANECR-OJKBXMANSA-N 0 0 170.208 1.142 10 0 ADAERN CCOC(=O)/C=C(/C)[C@H]1CCCOC1 757190582 582471994 /nfs/dbraw/zinc/47/19/94/582471994.db2.gz LPBTWSVFIPLPBX-RNKPRXRFSA-N 0 0 198.262 1.922 10 0 ADAERN CCC(CC)[C@H](CO)C(=O)OC 757192000 582472025 /nfs/dbraw/zinc/47/20/25/582472025.db2.gz LYJYJHZKGHORMI-QMMMGPOBSA-N 0 0 174.240 1.204 10 0 ADAERN CC1(C)CC(C(CO)CO)C1 757191070 582472030 /nfs/dbraw/zinc/47/20/30/582472030.db2.gz GXYQOGGHVQMDAF-UHFFFAOYSA-N 0 0 158.241 1.023 10 0 ADAERN C[C@@H]1CC(C(CO)CO)C[C@@H](C)C1 757190401 582472037 /nfs/dbraw/zinc/47/20/37/582472037.db2.gz ALZULDREJJZBBK-IUCAKERBSA-N 0 0 186.295 1.660 10 0 ADAERN CCOC(=O)/C=C1/COC2(CCC2)C1 757190641 582472041 /nfs/dbraw/zinc/47/20/41/582472041.db2.gz NMGXWQRVUMOZFD-RMKNXTFCSA-N 0 0 196.246 1.819 10 0 ADAERN CCOC(=O)/C=C/c1ccnn1CC 757192273 582472044 /nfs/dbraw/zinc/47/20/44/582472044.db2.gz WTYPTSSOTCMVCZ-AATRIKPKSA-N 0 0 194.234 1.479 10 0 ADAERN COC(=O)/C=C/c1cc(Cl)ccn1 757190305 582472045 /nfs/dbraw/zinc/47/20/45/582472045.db2.gz QYLDSXMPGXDSAR-NSCUHMNNSA-N 0 0 197.621 1.921 10 0 ADAERN O=C1CCC[C@]12CC21CC1 757196378 582472122 /nfs/dbraw/zinc/47/21/22/582472122.db2.gz WQMFNYYJHTUBSZ-VIFPVBQESA-N 0 0 136.194 1.910 10 0 ADAERN Cc1nn(CC(C)(C)C)cc1C(N)=O 757195156 582472171 /nfs/dbraw/zinc/47/21/71/582472171.db2.gz DYBPFTCKIXHSKX-UHFFFAOYSA-N 0 0 195.266 1.337 10 0 ADAERN CC[C@H](C)n1cc(C(N)=O)c(C)n1 757195169 582472176 /nfs/dbraw/zinc/47/21/76/582472176.db2.gz FCDITASJWZDFBS-LURJTMIESA-N 0 0 181.239 1.261 10 0 ADAERN OC[C@@H]1CCC[C@]12CCCOC2 757196333 582472244 /nfs/dbraw/zinc/47/22/44/582472244.db2.gz UXZGSANZLZPIKM-VHSXEESVSA-N 0 0 170.252 1.576 10 0 ADAERN Cc1nn(C2CCC2)cc1CO 757196416 582472266 /nfs/dbraw/zinc/47/22/66/582472266.db2.gz SWOLGMRUDMJDHP-UHFFFAOYSA-N 0 0 166.224 1.409 10 0 ADAERN C[C@@H]1C[C@]12CCC[C@@H]2CO 757195838 582472281 /nfs/dbraw/zinc/47/22/81/582472281.db2.gz OSCQPOQMXUNODP-IWSPIJDZSA-N 0 0 140.226 1.805 10 0 ADAERN OC[C@@H]1CCC[C@]12CC21CC1 757195825 582472292 /nfs/dbraw/zinc/47/22/92/582472292.db2.gz OQIJFTLOOSXVKW-WPRPVWTQSA-N 0 0 152.237 1.949 10 0 ADAERN CC[C@@H](C)n1cc(CO)c(C)n1 757196809 582472304 /nfs/dbraw/zinc/47/23/04/582472304.db2.gz ZGOSBLRUMNUGHC-SSDOTTSWSA-N 0 0 168.240 1.655 10 0 ADAERN O=C(NC1CCCC1)C1(F)CC1 843516015 582472306 /nfs/dbraw/zinc/47/23/06/582472306.db2.gz LOLPBEGKHGKGMG-UHFFFAOYSA-N 0 0 171.215 1.547 10 0 ADAERN OC[C@H]1CCC[C@]12CCCOC2 757196320 582472345 /nfs/dbraw/zinc/47/23/45/582472345.db2.gz UXZGSANZLZPIKM-NXEZZACHSA-N 0 0 170.252 1.576 10 0 ADAERN Cc1nn(C2CC2)cc1CO 757196306 582472377 /nfs/dbraw/zinc/47/23/77/582472377.db2.gz PVGYHZXABTWSHT-UHFFFAOYSA-N 0 0 152.197 1.019 10 0 ADAERN Cc1nn(CC2CCC2)cc1C=O 757196388 582472381 /nfs/dbraw/zinc/47/23/81/582472381.db2.gz SKXKERSEOVHTNO-UHFFFAOYSA-N 0 0 178.235 1.804 10 0 ADAERN CCC(CC)n1cc(C(N)=O)c(C)n1 757196434 582472425 /nfs/dbraw/zinc/47/24/25/582472425.db2.gz TYYWVJLZRQRWAT-UHFFFAOYSA-N 0 0 195.266 1.652 10 0 ADAERN O=C1CCC[C@@]12CC21CC1 757196375 582472503 /nfs/dbraw/zinc/47/25/03/582472503.db2.gz WQMFNYYJHTUBSZ-SECBINFHSA-N 0 0 136.194 1.910 10 0 ADAERN OC[C@@H]1CCC[C@@]12CCCOC2 757196328 582472505 /nfs/dbraw/zinc/47/25/05/582472505.db2.gz UXZGSANZLZPIKM-UWVGGRQHSA-N 0 0 170.252 1.576 10 0 ADAERN C[C@@H]1C[C@]12CCC[C@H]2CO 757195836 582472536 /nfs/dbraw/zinc/47/25/36/582472536.db2.gz OSCQPOQMXUNODP-HRDYMLBCSA-N 0 0 140.226 1.805 10 0 ADAERN Cc1nn(C2CCOCC2)cc1CO 757196705 582472541 /nfs/dbraw/zinc/47/25/41/582472541.db2.gz VYHHZDOSLFPDIT-UHFFFAOYSA-N 0 0 196.250 1.035 10 0 ADAERN O=c1ccc2cncc(Cl)c2[nH]1 757194847 582472543 /nfs/dbraw/zinc/47/25/43/582472543.db2.gz CJVFWWXCQSKCAF-UHFFFAOYSA-N 0 0 180.594 1.989 10 0 ADAERN C[C@@H]1C[C@@]12CCC[C@@H]2CO 757195828 582472555 /nfs/dbraw/zinc/47/25/55/582472555.db2.gz OSCQPOQMXUNODP-HLTSFMKQSA-N 0 0 140.226 1.805 10 0 ADAERN OC[C@H]1CCC[C@]12CC21CC1 757195815 582472556 /nfs/dbraw/zinc/47/25/56/582472556.db2.gz OQIJFTLOOSXVKW-SCZZXKLOSA-N 0 0 152.237 1.949 10 0 ADAERN CCCCCn1cc(C(N)=O)c(C)n1 757196042 582472560 /nfs/dbraw/zinc/47/25/60/582472560.db2.gz NXWJFECXTLSGIS-UHFFFAOYSA-N 0 0 195.266 1.481 10 0 ADAERN CC[C@H](C)n1cc(CO)c(C)n1 757196810 582472568 /nfs/dbraw/zinc/47/25/68/582472568.db2.gz ZGOSBLRUMNUGHC-ZETCQYMHSA-N 0 0 168.240 1.655 10 0 ADAERN OC[C@@H]1CCC[C@@]12CC21CC1 757195818 582472571 /nfs/dbraw/zinc/47/25/71/582472571.db2.gz OQIJFTLOOSXVKW-WCBMZHEXSA-N 0 0 152.237 1.949 10 0 ADAERN C[C@@H]1C[C@@]12CCC[C@H]2CO 757195840 582472576 /nfs/dbraw/zinc/47/25/76/582472576.db2.gz OSCQPOQMXUNODP-VGMNWLOBSA-N 0 0 140.226 1.805 10 0 ADAERN N=C(N)c1ccc(C(F)F)o1 757196468 582472577 /nfs/dbraw/zinc/47/25/77/582472577.db2.gz UYNFVZITZRTPJV-UHFFFAOYSA-N 0 0 160.123 1.501 10 0 ADAERN O=C(N1CCCCCC1)C1(F)CC1 843514852 582472585 /nfs/dbraw/zinc/47/25/85/582472585.db2.gz ADMIMCIJHWUAEL-UHFFFAOYSA-N 0 0 185.242 1.891 10 0 ADAERN OC[C@H]1CCC[C@@]12CC21CC1 757195813 582472596 /nfs/dbraw/zinc/47/25/96/582472596.db2.gz OQIJFTLOOSXVKW-PSASIEDQSA-N 0 0 152.237 1.949 10 0 ADAERN CC[C@@H](C)n1cc(C(N)=O)c(C)n1 757195170 582472602 /nfs/dbraw/zinc/47/26/02/582472602.db2.gz 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/nfs/dbraw/zinc/49/57/23/582495723.db2.gz IYQIYTXSQNZSPG-SSDOTTSWSA-N 0 0 194.234 1.229 10 0 ADAERN CCN1CCCC[C@H]1C(=O)OC1CC1 783188843 582495725 /nfs/dbraw/zinc/49/57/25/582495725.db2.gz DGALAQIDDVJAJV-JTQLQIEISA-N 0 0 197.278 1.566 10 0 ADAERN C[C@H](C(=O)OC1CC1)c1cnn(C)c1 783188161 582495728 /nfs/dbraw/zinc/49/57/28/582495728.db2.gz IYQIYTXSQNZSPG-ZETCQYMHSA-N 0 0 194.234 1.229 10 0 ADAERN COCCC(=O)C=C(O)C1CCC1 393256398 582491791 /nfs/dbraw/zinc/49/17/91/582491791.db2.gz GCZPSVRCUKYHID-UHFFFAOYSA-N 0 0 184.235 1.351 10 0 ADAERN CC[C@H](C)N(C)C(=O)N[C@@H]1C[C@H]1C 393216754 582491814 /nfs/dbraw/zinc/49/18/14/582491814.db2.gz MJJOCIYXCUALNT-HRDYMLBCSA-N 0 0 184.283 1.835 10 0 ADAERN CCSCCOC(=O)CCF 892562216 582491892 /nfs/dbraw/zinc/49/18/92/582491892.db2.gz CLFKXCNXAGBPFI-UHFFFAOYSA-N 0 0 180.244 1.642 10 0 ADAERN CC(C)(C)C(=O)OC1CCOCC1 146705706 582491907 /nfs/dbraw/zinc/49/19/07/582491907.db2.gz UPCNKSZGWYEBBC-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN Nc1cn(CCCCCF)nn1 393314721 582491911 /nfs/dbraw/zinc/49/19/11/582491911.db2.gz BISLXVXGHKIKOZ-UHFFFAOYSA-N 0 0 172.207 1.000 10 0 ADAERN OC[C@@H](NCCF)c1ccsc1 393314785 582491916 /nfs/dbraw/zinc/49/19/16/582491916.db2.gz JBAGQOVHINUGKA-MRVPVSSYSA-N 0 0 189.255 1.341 10 0 ADAERN CN(Cc1cocn1)CC1CC1 393321040 582491941 /nfs/dbraw/zinc/49/19/41/582491941.db2.gz JKPCQLXNLNQWHX-UHFFFAOYSA-N 0 0 166.224 1.516 10 0 ADAERN CCCCOCCOC(=O)CCF 892561107 582491957 /nfs/dbraw/zinc/49/19/57/582491957.db2.gz FKMYFRMOHUTEEP-UHFFFAOYSA-N 0 0 192.230 1.706 10 0 ADAERN OC[C@H](NCCF)c1ccsc1 393314788 582492018 /nfs/dbraw/zinc/49/20/18/582492018.db2.gz JBAGQOVHINUGKA-QMMMGPOBSA-N 0 0 189.255 1.341 10 0 ADAERN C[C@@H](NCCF)c1ccnn1C 393321270 582492031 /nfs/dbraw/zinc/49/20/31/582492031.db2.gz GLFAKKDSCMJBCV-SSDOTTSWSA-N 0 0 171.219 1.040 10 0 ADAERN CCCN(CC)CC(F)(F)CN 393322741 582492240 /nfs/dbraw/zinc/49/22/40/582492240.db2.gz FHXGTCRTPNWGRI-UHFFFAOYSA-N 0 0 180.242 1.312 10 0 ADAERN C[C@H](NCCF)c1ccnn1C 393321274 582492720 /nfs/dbraw/zinc/49/27/20/582492720.db2.gz GLFAKKDSCMJBCV-ZETCQYMHSA-N 0 0 171.219 1.040 10 0 ADAERN CC(C)(C)C(O)=CC(=O)[C@@H]1CCOC1 229650836 582492893 /nfs/dbraw/zinc/49/28/93/582492893.db2.gz VHEYSRNXKLCCOE-MRVPVSSYSA-N 0 0 198.262 1.597 10 0 ADAERN Cc1cn(CCCC(F)F)nc1N 701531806 582492931 /nfs/dbraw/zinc/49/29/31/582492931.db2.gz MILMJLDKNKQARU-UHFFFAOYSA-N 0 0 189.209 1.819 10 0 ADAERN Cc1cccc(CNCC2(F)CC2)n1 393690998 582493318 /nfs/dbraw/zinc/49/33/18/582493318.db2.gz SUDDBFYIJYRPGH-UHFFFAOYSA-N 0 0 194.253 1.982 10 0 ADAERN Nc1ccn(CCCC(F)F)n1 701532475 582493392 /nfs/dbraw/zinc/49/33/92/582493392.db2.gz OEZLGHUAIARSHN-UHFFFAOYSA-N 0 0 175.182 1.511 10 0 ADAERN CCCNC(=O)CCOCC1CC1 393714372 582494029 /nfs/dbraw/zinc/49/40/29/582494029.db2.gz IYFZPYJZYKNJQX-UHFFFAOYSA-N 0 0 185.267 1.329 10 0 ADAERN COCCC[N@@H+]1CC[C@@H](C)[C@H](F)C1 393710247 582494013 /nfs/dbraw/zinc/49/40/13/582494013.db2.gz XJTIRCPYXUSDPI-NXEZZACHSA-N 0 0 189.274 1.703 10 0 ADAERN COCCC[N@@H+]1CC[C@H](C)[C@@H](F)C1 393710249 582494025 /nfs/dbraw/zinc/49/40/25/582494025.db2.gz XJTIRCPYXUSDPI-UWVGGRQHSA-N 0 0 189.274 1.703 10 0 ADAERN CCC(CC)C(=O)N1CC(C)(F)C1 393711771 582494028 /nfs/dbraw/zinc/49/40/28/582494028.db2.gz OKMTXLGOPPKKSZ-UHFFFAOYSA-N 0 0 187.258 1.993 10 0 ADAERN CN(CC(C)(C)C)CC(F)(F)CN 393715114 582494220 /nfs/dbraw/zinc/49/42/20/582494220.db2.gz MIKIAGWMEKFYNU-UHFFFAOYSA-N 0 0 194.269 1.558 10 0 ADAERN COCCC[N@@H+]1CC[C@H](C)[C@H](F)C1 393710250 582494226 /nfs/dbraw/zinc/49/42/26/582494226.db2.gz XJTIRCPYXUSDPI-VHSXEESVSA-N 0 0 189.274 1.703 10 0 ADAERN CNC(=O)NCCCc1nccs1 393713818 582494271 /nfs/dbraw/zinc/49/42/71/582494271.db2.gz ITAWEAZNDQCTSM-UHFFFAOYSA-N 0 0 199.279 1.005 10 0 ADAERN COCCC[N@@H+]1CC[C@@H](C)[C@@H](F)C1 393710251 582494427 /nfs/dbraw/zinc/49/44/27/582494427.db2.gz XJTIRCPYXUSDPI-ZJUUUORDSA-N 0 0 189.274 1.703 10 0 ADAERN COCCNC(=O)[C@H]1CCC[C@@H]1C 393720706 582494611 /nfs/dbraw/zinc/49/46/11/582494611.db2.gz SUZDWVGAPBXNKW-IUCAKERBSA-N 0 0 185.267 1.185 10 0 ADAERN COCCNC(=O)[C@@H]1CCC[C@@H]1C 393720705 582494648 /nfs/dbraw/zinc/49/46/48/582494648.db2.gz SUZDWVGAPBXNKW-DTWKUNHWSA-N 0 0 185.267 1.185 10 0 ADAERN COCC(C)(C)NCc1cocn1 393721628 582494652 /nfs/dbraw/zinc/49/46/52/582494652.db2.gz YDRBRUSSSKGEJS-UHFFFAOYSA-N 0 0 184.239 1.189 10 0 ADAERN COCCNC(=O)[C@@H]1CCC[C@H]1C 393720707 582494811 /nfs/dbraw/zinc/49/48/11/582494811.db2.gz SUZDWVGAPBXNKW-RKDXNWHRSA-N 0 0 185.267 1.185 10 0 ADAERN COCCNC(=O)[C@H]1CCC[C@H]1C 393720704 582494821 /nfs/dbraw/zinc/49/48/21/582494821.db2.gz SUZDWVGAPBXNKW-BDAKNGLRSA-N 0 0 185.267 1.185 10 0 ADAERN CCOC(C)(C)Cn1nc(N)cc1C 702694163 582495059 /nfs/dbraw/zinc/49/50/59/582495059.db2.gz KDOPQSFVFCXQJE-UHFFFAOYSA-N 0 0 197.282 1.589 10 0 ADAERN CC(C)C[C@H](C(=O)[O-])n1cc[nH+]c1N 702560986 582495138 /nfs/dbraw/zinc/49/51/38/582495138.db2.gz OLXVEVLVQPNKBX-SSDOTTSWSA-N 0 0 197.238 1.137 10 0 ADAERN CCOC(C)(C)Cn1cc(C)c(N)n1 702695397 582495261 /nfs/dbraw/zinc/49/52/61/582495261.db2.gz QAXCKUZVBOCFQS-UHFFFAOYSA-N 0 0 197.282 1.589 10 0 ADAERN CC(C)C[C@@H](C(=O)[O-])n1cc[nH+]c1N 702560988 582495468 /nfs/dbraw/zinc/49/54/68/582495468.db2.gz OLXVEVLVQPNKBX-ZETCQYMHSA-N 0 0 197.238 1.137 10 0 ADAERN CCOC(C)(C)Cn1ccc(N)n1 702691283 582495478 /nfs/dbraw/zinc/49/54/78/582495478.db2.gz UOWPMHJBYALCKB-UHFFFAOYSA-N 0 0 183.255 1.280 10 0 ADAERN CCCOC(=O)[C@@H]1CCOC[C@H]1C 300910483 582495589 /nfs/dbraw/zinc/49/55/89/582495589.db2.gz XRXRBKMGUCUIIP-RKDXNWHRSA-N 0 0 186.251 1.612 10 0 ADAERN CCCn1cc(C(=O)OC2CC2)cn1 783191710 582495795 /nfs/dbraw/zinc/49/57/95/582495795.db2.gz RKCOQNIFYIJJGF-UHFFFAOYSA-N 0 0 194.234 1.612 10 0 ADAERN COCCCCn1cc(N)c(C)n1 704869529 582496146 /nfs/dbraw/zinc/49/61/46/582496146.db2.gz UUBVPNLFMUUUIJ-UHFFFAOYSA-N 0 0 183.255 1.200 10 0 ADAERN O=C(CCF)OCC[C@@H]1CC1(F)F 893222254 582500792 /nfs/dbraw/zinc/50/07/92/582500792.db2.gz ZNPKZPQSMXRJQV-ZCFIWIBFSA-N 0 0 196.168 1.935 10 0 ADAERN Cc1c(N)cnn1COCC1CC1 704894289 582496140 /nfs/dbraw/zinc/49/61/40/582496140.db2.gz CHIOBWYDTQAMAJ-UHFFFAOYSA-N 0 0 181.239 1.158 10 0 ADAERN Cc1c(N)cnn1COC1CCCC1 704874501 582496079 /nfs/dbraw/zinc/49/60/79/582496079.db2.gz OGZALKHQCHKUPT-UHFFFAOYSA-N 0 0 195.266 1.690 10 0 ADAERN Cc1c(N)cnn1CCCOC(C)C 708571727 582496746 /nfs/dbraw/zinc/49/67/46/582496746.db2.gz AOOXQDRLEDXXAP-UHFFFAOYSA-N 0 0 197.282 1.589 10 0 ADAERN CCSCCCn1cc(N)c(C)n1 704871303 582496098 /nfs/dbraw/zinc/49/60/98/582496098.db2.gz CLKPNEBOPMBTEA-UHFFFAOYSA-N 0 0 199.323 1.917 10 0 ADAERN COC(C)(C)Cn1cc(N)c(C)n1 704918337 582496101 /nfs/dbraw/zinc/49/61/01/582496101.db2.gz IOXXYHLVGDXKFG-UHFFFAOYSA-N 0 0 183.255 1.199 10 0 ADAERN COCCCCn1ncc(N)c1C 704896413 582496108 /nfs/dbraw/zinc/49/61/08/582496108.db2.gz NCSSCOLKOWYXFI-UHFFFAOYSA-N 0 0 183.255 1.200 10 0 ADAERN CCC(F)(F)Cn1cc(C)c(N)n1 704802993 582496113 /nfs/dbraw/zinc/49/61/13/582496113.db2.gz QIFWAPRAYGQFGL-UHFFFAOYSA-N 0 0 189.209 1.819 10 0 ADAERN C/C(=C\Cl)Cn1cc(N)c(C)n1 704876577 582496120 /nfs/dbraw/zinc/49/61/20/582496120.db2.gz ZZYYQNAKZZEQPT-ZZXKWVIFSA-N 0 0 185.658 1.916 10 0 ADAERN Cc1nn(CCCC(F)F)cc1N 704896546 582496129 /nfs/dbraw/zinc/49/61/29/582496129.db2.gz OWJMDSWMAHTGAP-UHFFFAOYSA-N 0 0 189.209 1.819 10 0 ADAERN Cc1c(N)cnn1CCCCCCO 704874626 582496157 /nfs/dbraw/zinc/49/61/57/582496157.db2.gz PDOLAHKIKACKTE-UHFFFAOYSA-N 0 0 197.282 1.326 10 0 ADAERN Cc1nn(COC2CCCC2)cc1N 704869520 582496164 /nfs/dbraw/zinc/49/61/64/582496164.db2.gz UIYOITMDADESIU-UHFFFAOYSA-N 0 0 195.266 1.690 10 0 ADAERN CCC(F)(F)Cn1ncc(N)c1C 704714697 582496169 /nfs/dbraw/zinc/49/61/69/582496169.db2.gz FPGXYMGSBUHPBS-UHFFFAOYSA-N 0 0 189.209 1.819 10 0 ADAERN Cc1c(N)cnn1C[C@H]1C[C@@H]2C[C@@H]2C1 704626060 582496172 /nfs/dbraw/zinc/49/61/72/582496172.db2.gz WYSZLFUVOGUNBM-ILWJIGKKSA-N 0 0 191.278 1.820 10 0 ADAERN CCC(F)(F)Cn1nc(N)cc1C 704804512 582496179 /nfs/dbraw/zinc/49/61/79/582496179.db2.gz ZBTNULHFDACQPY-UHFFFAOYSA-N 0 0 189.209 1.819 10 0 ADAERN Cc1nn(CCCCCF)cc1N 704873519 582496184 /nfs/dbraw/zinc/49/61/84/582496184.db2.gz MITBOXKUJGMGBX-UHFFFAOYSA-N 0 0 185.246 1.914 10 0 ADAERN CCC(CC)OCn1ncc(N)c1C 704875115 582496186 /nfs/dbraw/zinc/49/61/86/582496186.db2.gz QKQAMLBQFPYCCX-UHFFFAOYSA-N 0 0 197.282 1.936 10 0 ADAERN CCC(F)(F)Cn1cc(N)c(C)n1 704722179 582496192 /nfs/dbraw/zinc/49/61/92/582496192.db2.gz ZHMIZYBUQVAGQF-UHFFFAOYSA-N 0 0 189.209 1.819 10 0 ADAERN COc1cnc(C(=O)OC(C)C)nc1 590229517 582496417 /nfs/dbraw/zinc/49/64/17/582496417.db2.gz BXMPHHCPXYHZDP-UHFFFAOYSA-N 0 0 196.206 1.050 10 0 ADAERN C[C@H](Cn1cc(N)nn1)CC(C)(C)C 709080435 582496514 /nfs/dbraw/zinc/49/65/14/582496514.db2.gz NXUZMUPEPOIWPV-QMMMGPOBSA-N 0 0 196.298 1.933 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH3+])C(C)C 146786157 582496580 /nfs/dbraw/zinc/49/65/80/582496580.db2.gz MESWSULQBMDEKZ-NKWVEPMBSA-N 0 0 159.229 1.081 10 0 ADAERN O=C(CCF)OCC[C@H]1CCCO1 892816054 582496609 /nfs/dbraw/zinc/49/66/09/582496609.db2.gz GWDZSZHRKFIOCW-MRVPVSSYSA-N 0 0 190.214 1.458 10 0 ADAERN Nc1ccn(CCOCC2CCC2)n1 708501605 582496636 /nfs/dbraw/zinc/49/66/36/582496636.db2.gz CVAOVUIQHBIVFA-UHFFFAOYSA-N 0 0 195.266 1.282 10 0 ADAERN C[C@@H](Cn1cc(N)nn1)CC(C)(C)C 709080434 582496655 /nfs/dbraw/zinc/49/66/55/582496655.db2.gz NXUZMUPEPOIWPV-MRVPVSSYSA-N 0 0 196.298 1.933 10 0 ADAERN CC(=O)CCCOC(=O)CCF 892796475 582496660 /nfs/dbraw/zinc/49/66/60/582496660.db2.gz HPZIWZOFTABDEZ-UHFFFAOYSA-N 0 0 176.187 1.258 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH3+])C(C)C 146786350 582496675 /nfs/dbraw/zinc/49/66/75/582496675.db2.gz MESWSULQBMDEKZ-RNFRBKRXSA-N 0 0 159.229 1.081 10 0 ADAERN Cc1cc(N)nn1CCCOC(C)C 708582023 582496699 /nfs/dbraw/zinc/49/66/99/582496699.db2.gz OHGKPQICTUTXDX-UHFFFAOYSA-N 0 0 197.282 1.589 10 0 ADAERN O=C(CCF)OCC[C@@H]1CCCO1 892816055 582496703 /nfs/dbraw/zinc/49/67/03/582496703.db2.gz GWDZSZHRKFIOCW-QMMMGPOBSA-N 0 0 190.214 1.458 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH3+])C(C)C 146785766 582496712 /nfs/dbraw/zinc/49/67/12/582496712.db2.gz MESWSULQBMDEKZ-BQBZGAKWSA-N 0 0 159.229 1.081 10 0 ADAERN C[C@@H](OC(=O)COC1CC1)C1CCC1 892804038 582496735 /nfs/dbraw/zinc/49/67/35/582496735.db2.gz ZCDWEKWOTZUISZ-MRVPVSSYSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]([NH3+])C(C)C 146785978 582496744 /nfs/dbraw/zinc/49/67/44/582496744.db2.gz MESWSULQBMDEKZ-RQJHMYQMSA-N 0 0 159.229 1.081 10 0 ADAERN O=C(N1CC=CC1)N1CCCCC1 146798083 582496761 /nfs/dbraw/zinc/49/67/61/582496761.db2.gz CAFZBLKIOKSCAY-UHFFFAOYSA-N 0 0 180.251 1.464 10 0 ADAERN C=COCCOC(=O)C1(C2CC2)CC1 892909965 582497362 /nfs/dbraw/zinc/49/73/62/582497362.db2.gz FIGUNRDXPJFSHH-UHFFFAOYSA-N 0 0 196.246 1.880 10 0 ADAERN CP(C)(=O)c1cccc(C=O)c1 146858308 582497539 /nfs/dbraw/zinc/49/75/39/582497539.db2.gz YISMUOCJMXQWFY-UHFFFAOYSA-N 0 0 182.159 1.747 10 0 ADAERN Cc1cnccc1/C=C/C(=O)N(C)C 146859813 582497588 /nfs/dbraw/zinc/49/75/88/582497588.db2.gz WZHBPAGBKLSRFM-SNAWJCMRSA-N 0 0 190.246 1.491 10 0 ADAERN CC(=O)OC[C@H]1CC1(C)C 146874162 582497652 /nfs/dbraw/zinc/49/76/52/582497652.db2.gz QBBMYPHCURMNTB-SSDOTTSWSA-N 0 0 142.198 1.596 10 0 ADAERN COCCN(C/C=C\Cl)CCF 852483929 582497712 /nfs/dbraw/zinc/49/77/12/582497712.db2.gz UXRUIJOYUFWDDM-IHWYPQMZSA-N 0 0 195.665 1.657 10 0 ADAERN Cc1cnccc1/C=C\C(=O)N(C)C 146859632 582497756 /nfs/dbraw/zinc/49/77/56/582497756.db2.gz WZHBPAGBKLSRFM-PLNGDYQASA-N 0 0 190.246 1.491 10 0 ADAERN COCCN(C/C=C/Cl)CCF 852483933 582497841 /nfs/dbraw/zinc/49/78/41/582497841.db2.gz UXRUIJOYUFWDDM-NSCUHMNNSA-N 0 0 195.665 1.657 10 0 ADAERN C/C=C\CNC(=O)/C=C/C=C/C 202746647 582501953 /nfs/dbraw/zinc/50/19/53/582501953.db2.gz RMPZJXYCHCFBIS-GOZJPCKMSA-N 0 0 165.236 1.811 10 0 ADAERN Clc1ncn(C[C@H]2C[C@@H]3C[C@@H]3C2)n1 853021252 582498054 /nfs/dbraw/zinc/49/80/54/582498054.db2.gz UWNZDSALXJLJRV-RNLVFQAGSA-N 0 0 197.669 1.978 10 0 ADAERN CC(=O)OC[C@@H]1CC1(C)C 146873960 582498145 /nfs/dbraw/zinc/49/81/45/582498145.db2.gz QBBMYPHCURMNTB-ZETCQYMHSA-N 0 0 142.198 1.596 10 0 ADAERN C[C@@H]1CCCC[C@@H]1C[C@H](C[NH3+])C(=O)[O-] 394979240 582498321 /nfs/dbraw/zinc/49/83/21/582498321.db2.gz XUWLEHOCMYCWGO-OPRDCNLKSA-N 0 0 199.294 1.862 10 0 ADAERN C[C@@H]1CCCC[C@@H]1C[C@@H](C[NH3+])C(=O)[O-] 394979238 582498333 /nfs/dbraw/zinc/49/83/33/582498333.db2.gz XUWLEHOCMYCWGO-BBBLOLIVSA-N 0 0 199.294 1.862 10 0 ADAERN C[C@@H]1CCCC[C@H]1C[C@@H](C[NH3+])C(=O)[O-] 394979241 582498396 /nfs/dbraw/zinc/49/83/96/582498396.db2.gz XUWLEHOCMYCWGO-UTLUCORTSA-N 0 0 199.294 1.862 10 0 ADAERN C[C@@H]1CCCC[C@H]1C[C@H](C[NH3+])C(=O)[O-] 394979239 582498418 /nfs/dbraw/zinc/49/84/18/582498418.db2.gz XUWLEHOCMYCWGO-KXUCPTDWSA-N 0 0 199.294 1.862 10 0 ADAERN CCC(CC)(CC)CS(N)(=O)=O 395202037 582498594 /nfs/dbraw/zinc/49/85/94/582498594.db2.gz WNXLIGXGPAUVKP-UHFFFAOYSA-N 0 0 193.312 1.491 10 0 ADAERN C/C=C\C(=O)NC[C@]1(C)CCCCO1 832449907 582499172 /nfs/dbraw/zinc/49/91/72/582499172.db2.gz HPSGAPMVYSGVCC-UUSYTGMJSA-N 0 0 197.278 1.638 10 0 ADAERN C/C=C/C(=O)NC[C@@]1(C)CCCCO1 832449909 582499280 /nfs/dbraw/zinc/49/92/80/582499280.db2.gz HPSGAPMVYSGVCC-ZXCPCRMDSA-N 0 0 197.278 1.638 10 0 ADAERN C/C=C\C(=O)NC[C@@]1(C)CCCCO1 832449908 582499345 /nfs/dbraw/zinc/49/93/45/582499345.db2.gz HPSGAPMVYSGVCC-ZTYXWKCZSA-N 0 0 197.278 1.638 10 0 ADAERN CCO[C@H]1C[C@H](OC(=O)CCF)C1 893129742 582499365 /nfs/dbraw/zinc/49/93/65/582499365.db2.gz BEQRIFIWDSKZQB-ZKCHVHJHSA-N 0 0 190.214 1.457 10 0 ADAERN c1csc(N2CCCO2)n1 893119718 582499393 /nfs/dbraw/zinc/49/93/93/582499393.db2.gz CPLIPUKYPUBNLL-UHFFFAOYSA-N 0 0 156.210 1.285 10 0 ADAERN C/C=C/C(=O)NC[C@]1(C)CCCCO1 832449906 582499631 /nfs/dbraw/zinc/49/96/31/582499631.db2.gz HPSGAPMVYSGVCC-GQOHGMTASA-N 0 0 197.278 1.638 10 0 ADAERN CC(C)CCCC(=O)OCCO 146916348 582499670 /nfs/dbraw/zinc/49/96/70/582499670.db2.gz VLFDIXVSGKPGBM-UHFFFAOYSA-N 0 0 174.240 1.348 10 0 ADAERN COCC(=O)C(C)=C(O)C(C)(C)C 395460275 582499720 /nfs/dbraw/zinc/49/97/20/582499720.db2.gz KYSUVPALAJQWEF-SSDOTTSWSA-N 0 0 186.251 1.453 10 0 ADAERN C[C@]1(CNC(=O)C2CC2)CCCCO1 832518953 582499793 /nfs/dbraw/zinc/49/97/93/582499793.db2.gz BGPPSAGXJHWQNL-LLVKDONJSA-N 0 0 197.278 1.472 10 0 ADAERN COC(OC)[C@@H](C)C(=O)C(C)(C)C 395429121 582499801 /nfs/dbraw/zinc/49/98/01/582499801.db2.gz CZWKAXHUJONTEN-ZETCQYMHSA-N 0 0 188.267 1.857 10 0 ADAERN COC(OC)[C@H](C)C(=O)C(C)(C)C 395429118 582499841 /nfs/dbraw/zinc/49/98/41/582499841.db2.gz CZWKAXHUJONTEN-SSDOTTSWSA-N 0 0 188.267 1.857 10 0 ADAERN COCC(=O)C(C)=C(O)C(C)(C)C 395460279 582499843 /nfs/dbraw/zinc/49/98/43/582499843.db2.gz KYSUVPALAJQWEF-ZETCQYMHSA-N 0 0 186.251 1.453 10 0 ADAERN C[C@@]1(CNC(=O)C2CC2)CCCCO1 832518955 582499905 /nfs/dbraw/zinc/49/99/05/582499905.db2.gz BGPPSAGXJHWQNL-NSHDSACASA-N 0 0 197.278 1.472 10 0 ADAERN COCC(=O)C(C)=C(O)C1CCCC1 395761073 582500110 /nfs/dbraw/zinc/50/01/10/582500110.db2.gz LKPIIEUCVCMEKE-MRVPVSSYSA-N 0 0 198.262 1.597 10 0 ADAERN COC(=O)[C@@H](CC(C)C)OC(C)=O 14491083 582500133 /nfs/dbraw/zinc/50/01/33/582500133.db2.gz NVOJXKTYTSSIFJ-MRVPVSSYSA-N 0 0 188.223 1.137 10 0 ADAERN Nc1nccc2c1ncn2C1CC1 213598862 582500167 /nfs/dbraw/zinc/50/01/67/582500167.db2.gz VOKWNOYEEOPGMS-UHFFFAOYSA-N 0 0 174.207 1.348 10 0 ADAERN COCC(=O)C(C)=C(O)C1CCCC1 395761075 582500336 /nfs/dbraw/zinc/50/03/36/582500336.db2.gz LKPIIEUCVCMEKE-QMMMGPOBSA-N 0 0 198.262 1.597 10 0 ADAERN C[C@@]1(COC(=O)CCF)CC1(F)F 893200917 582500456 /nfs/dbraw/zinc/50/04/56/582500456.db2.gz FASGBUMPJUWRFB-ZETCQYMHSA-N 0 0 196.168 1.935 10 0 ADAERN O=C(CCF)OC[C@H]1CCC1(F)F 893214821 582500460 /nfs/dbraw/zinc/50/04/60/582500460.db2.gz YTEKNVPAVYQHTL-ZCFIWIBFSA-N 0 0 196.168 1.935 10 0 ADAERN C[C@]1(COC(=O)CCF)CC1(F)F 893200914 582500466 /nfs/dbraw/zinc/50/04/66/582500466.db2.gz FASGBUMPJUWRFB-SSDOTTSWSA-N 0 0 196.168 1.935 10 0 ADAERN Cc1ncc(COC(=O)CCF)o1 893222526 582500520 /nfs/dbraw/zinc/50/05/20/582500520.db2.gz HFTPUBUTQVJZJN-UHFFFAOYSA-N 0 0 187.170 1.386 10 0 ADAERN CCO/C=C/C(=O)OC[C@H](C)OC 840585175 582500543 /nfs/dbraw/zinc/50/05/43/582500543.db2.gz BDANZHIYLODOQX-GJIOHYHPSA-N 0 0 188.223 1.115 10 0 ADAERN O=C(CCF)OC[C@@H]1CCC1(F)F 893214820 582500568 /nfs/dbraw/zinc/50/05/68/582500568.db2.gz YTEKNVPAVYQHTL-LURJTMIESA-N 0 0 196.168 1.935 10 0 ADAERN O=C(CCF)OC[C@@H]1C[C@@H]2C[C@@H]2C1 893216994 582500604 /nfs/dbraw/zinc/50/06/04/582500604.db2.gz ANLLBEAKARZPGX-PSVAKVPMSA-N 0 0 186.226 1.935 10 0 ADAERN O=C(CCF)OCC[C@H]1CC1(F)F 893222253 582500615 /nfs/dbraw/zinc/50/06/15/582500615.db2.gz ZNPKZPQSMXRJQV-LURJTMIESA-N 0 0 196.168 1.935 10 0 ADAERN CCO/C=C\C(=O)OC[C@@H](C)OC 840585177 582500650 /nfs/dbraw/zinc/50/06/50/582500650.db2.gz BDANZHIYLODOQX-RPSMYOMKSA-N 0 0 188.223 1.115 10 0 ADAERN CCC(=O)O[C@@H](C(=O)OC)C(C)C 146958557 582500665 /nfs/dbraw/zinc/50/06/65/582500665.db2.gz DARRFPKWPFTXBJ-MRVPVSSYSA-N 0 0 188.223 1.137 10 0 ADAERN CCO/C=C/C(=O)OC[C@@H](C)OC 840585176 582500739 /nfs/dbraw/zinc/50/07/39/582500739.db2.gz BDANZHIYLODOQX-HQZHTGGTSA-N 0 0 188.223 1.115 10 0 ADAERN CC1CC(COC(=O)COC2CC2)C1 893227130 582500744 /nfs/dbraw/zinc/50/07/44/582500744.db2.gz SUBODQJSQXGXLV-UHFFFAOYSA-N 0 0 198.262 1.755 10 0 ADAERN CCC(F)(F)COC(=O)CCF 893227146 582500750 /nfs/dbraw/zinc/50/07/50/582500750.db2.gz JAIGBLDXCFZWPW-UHFFFAOYSA-N 0 0 184.157 1.935 10 0 ADAERN CCC(=O)O[C@H](C(=O)OC)C(C)C 146958351 582500751 /nfs/dbraw/zinc/50/07/51/582500751.db2.gz DARRFPKWPFTXBJ-QMMMGPOBSA-N 0 0 188.223 1.137 10 0 ADAERN CC1(c2cc(N)n[nH]2)CCC1 146956510 582500761 /nfs/dbraw/zinc/50/07/61/582500761.db2.gz ZIZCWIIACXVHPF-UHFFFAOYSA-N 0 0 151.213 1.434 10 0 ADAERN CCO/C=C/C(=O)c1ccncn1 395880070 582500779 /nfs/dbraw/zinc/50/07/79/582500779.db2.gz IDEPAWYQBWPETF-GQCTYLIASA-N 0 0 178.191 1.210 10 0 ADAERN CCO/C=C\C(=O)OC[C@H](C)OC 840585179 582500835 /nfs/dbraw/zinc/50/08/35/582500835.db2.gz BDANZHIYLODOQX-SLGIHZDVSA-N 0 0 188.223 1.115 10 0 ADAERN CCCC[C@]1(C)O[C@@]1(C)C(=O)OC 394585674 582500840 /nfs/dbraw/zinc/50/08/40/582500840.db2.gz UXFQYBOGGDZCHA-UWVGGRQHSA-N 0 0 186.251 1.897 10 0 ADAERN CCO/C=C/C(=O)O[C@H](C)C(C)=O 840585488 582501001 /nfs/dbraw/zinc/50/10/01/582501001.db2.gz BVBIWYFNLTYOQT-HQZHTGGTSA-N 0 0 186.207 1.057 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N1CCOCC[C@H]1C 775253184 582501021 /nfs/dbraw/zinc/50/10/21/582501021.db2.gz PQRQFQJTKQLMMD-OPRDCNLKSA-N 0 0 197.278 1.280 10 0 ADAERN CCO/C=C\C(=O)OCC(=O)CC 840587699 582501061 /nfs/dbraw/zinc/50/10/61/582501061.db2.gz WVIDJSNEJCKWGF-WAYWQWQTSA-N 0 0 186.207 1.059 10 0 ADAERN CCO/C=C\C(=O)O[C@@H](C)C(C)=O 840585490 582501075 /nfs/dbraw/zinc/50/10/75/582501075.db2.gz BVBIWYFNLTYOQT-SLGIHZDVSA-N 0 0 186.207 1.057 10 0 ADAERN FC(F)(F)SCCn1cncn1 123834622 582501095 /nfs/dbraw/zinc/50/10/95/582501095.db2.gz YWCJSYJOTYADEC-UHFFFAOYSA-N 0 0 197.185 1.531 10 0 ADAERN C[C@H]1CCOCCN1C(=O)[C@H]1C[C@H]1C 775253185 582501146 /nfs/dbraw/zinc/50/11/46/582501146.db2.gz PQRQFQJTKQLMMD-UTLUCORTSA-N 0 0 197.278 1.280 10 0 ADAERN C[C@H]1CCOCCN1C(=O)[C@@H]1C[C@H]1C 775253182 582501149 /nfs/dbraw/zinc/50/11/49/582501149.db2.gz PQRQFQJTKQLMMD-KXUCPTDWSA-N 0 0 197.278 1.280 10 0 ADAERN CCO/C=C\C(=O)OCCCCF 840586823 582501159 /nfs/dbraw/zinc/50/11/59/582501159.db2.gz GJRAFNBTOHPUTE-YVMONPNESA-N 0 0 190.214 1.830 10 0 ADAERN CC(=O)Nc1ncsc1C1CC1 893280499 582501165 /nfs/dbraw/zinc/50/11/65/582501165.db2.gz UDDLXMGLBNGHCE-UHFFFAOYSA-N 0 0 182.248 1.979 10 0 ADAERN CCO/C=C\C(=O)O[C@H](C)C(C)=O 840585489 582501181 /nfs/dbraw/zinc/50/11/81/582501181.db2.gz BVBIWYFNLTYOQT-RPSMYOMKSA-N 0 0 186.207 1.057 10 0 ADAERN CCO/C=C/C(=O)OCC(=O)CC 840587695 582501183 /nfs/dbraw/zinc/50/11/83/582501183.db2.gz WVIDJSNEJCKWGF-AATRIKPKSA-N 0 0 186.207 1.059 10 0 ADAERN CCO/C=C/C(=O)OCCCCF 840586822 582501215 /nfs/dbraw/zinc/50/12/15/582501215.db2.gz GJRAFNBTOHPUTE-VMPITWQZSA-N 0 0 190.214 1.830 10 0 ADAERN CCO/C=C/C(=O)OCC1CCC1 840587826 582501299 /nfs/dbraw/zinc/50/12/99/582501299.db2.gz YADPWWUZVWZMGZ-VOTSOKGWSA-N 0 0 184.235 1.880 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1CCOCC[C@H]1C 775253175 582501433 /nfs/dbraw/zinc/50/14/33/582501433.db2.gz PQRQFQJTKQLMMD-BBBLOLIVSA-N 0 0 197.278 1.280 10 0 ADAERN CCO/C=C\C(=O)OCC1CCC1 840587823 582501465 /nfs/dbraw/zinc/50/14/65/582501465.db2.gz YADPWWUZVWZMGZ-SREVYHEPSA-N 0 0 184.235 1.880 10 0 ADAERN CCO/C=C/C(=O)O[C@@H](C)C(C)=O 840585482 582501512 /nfs/dbraw/zinc/50/15/12/582501512.db2.gz BVBIWYFNLTYOQT-GJIOHYHPSA-N 0 0 186.207 1.057 10 0 ADAERN O=C(CCF)OC[C@@H]1C[C@H]1C1CC1 893298737 582501800 /nfs/dbraw/zinc/50/18/00/582501800.db2.gz LUOFBQULRRADFX-IUCAKERBSA-N 0 0 186.226 1.935 10 0 ADAERN CCO/C=C/C(=O)OCCC1CC1 840588807 582501824 /nfs/dbraw/zinc/50/18/24/582501824.db2.gz YWCXMPFXSTWACH-VOTSOKGWSA-N 0 0 184.235 1.880 10 0 ADAERN COC(=O)[C@H](N)CC1(C)CCCC1 118721596 582501859 /nfs/dbraw/zinc/50/18/59/582501859.db2.gz QIPCBKBXHORENJ-MRVPVSSYSA-N 0 0 185.267 1.457 10 0 ADAERN Cc1nccnc1COC(=O)CCF 893297574 582501911 /nfs/dbraw/zinc/50/19/11/582501911.db2.gz KVIZAEMNPILITJ-UHFFFAOYSA-N 0 0 198.197 1.188 10 0 ADAERN CCC/C=C\C(=O)N1CCOC1 854804798 582501913 /nfs/dbraw/zinc/50/19/13/582501913.db2.gz AIVQEECRPFLOMR-PLNGDYQASA-N 0 0 169.224 1.159 10 0 ADAERN CCO/C=C\C(=O)OCCC1CC1 840588785 582501920 /nfs/dbraw/zinc/50/19/20/582501920.db2.gz YWCXMPFXSTWACH-SREVYHEPSA-N 0 0 184.235 1.880 10 0 ADAERN CCC/C=C/C(=O)N1CCOC1 854804799 582502017 /nfs/dbraw/zinc/50/20/17/582502017.db2.gz AIVQEECRPFLOMR-SNAWJCMRSA-N 0 0 169.224 1.159 10 0 ADAERN CC(=O)CCN1CCCC(F)(F)C1 202717714 582502215 /nfs/dbraw/zinc/50/22/15/582502215.db2.gz MRIANYHKRQORST-UHFFFAOYSA-N 0 0 191.221 1.697 10 0 ADAERN CSC(C)(C)C(=O)N[C@@H](C)CF 854632698 582502219 /nfs/dbraw/zinc/50/22/19/582502219.db2.gz ADKLVVOMGCTWOX-LURJTMIESA-N 0 0 193.287 1.602 10 0 ADAERN COCCOCCOCCSC 202935255 582502310 /nfs/dbraw/zinc/50/23/10/582502310.db2.gz SNCOMGVTLYYPAM-UHFFFAOYSA-N 0 0 194.296 1.029 10 0 ADAERN CCC(C=O)=C(O)[C@H]1CC1(C)C 397688841 582502660 /nfs/dbraw/zinc/50/26/60/582502660.db2.gz MJOXWHSJYXDQHF-HTQZYQBOSA-N 0 0 168.236 1.827 10 0 ADAERN COCC(=O)C=C(O)[C@H]1CC1(C)C 397683942 582502719 /nfs/dbraw/zinc/50/27/19/582502719.db2.gz MSSVFOGXNUTCGE-MRVPVSSYSA-N 0 0 184.235 1.207 10 0 ADAERN CC1(C)C[C@@H]1C(O)=CC(=O)C(F)F 397705748 582502775 /nfs/dbraw/zinc/50/27/75/582502775.db2.gz TUAAQRWVHHEIPW-RXMQYKEDSA-N 0 0 190.189 1.826 10 0 ADAERN CC1(C)C[C@@H]1C(=O)C=C(O)C1CC1 397700381 582502849 /nfs/dbraw/zinc/50/28/49/582502849.db2.gz RHANFIOQIBSNFE-MRVPVSSYSA-N 0 0 180.247 1.971 10 0 ADAERN COCCC(=O)C=C(O)[C@@H]1CC1(C)C 397728887 582502917 /nfs/dbraw/zinc/50/29/17/582502917.db2.gz ZJNCMVZULWOJQC-VIFPVBQESA-N 0 0 198.262 1.597 10 0 ADAERN O=C(N[C@@H]1C=CCC1)[C@@H]1C[C@@H]2C[C@@H]2C1 855435140 582502920 /nfs/dbraw/zinc/50/29/20/582502920.db2.gz YILQIECVKLWMKX-VPOLOUISSA-N 0 0 191.274 1.867 10 0 ADAERN COCC(=O)C=C(O)[C@@H]1CC1(C)C 397683943 582502921 /nfs/dbraw/zinc/50/29/21/582502921.db2.gz MSSVFOGXNUTCGE-QMMMGPOBSA-N 0 0 184.235 1.207 10 0 ADAERN CC1(C)C[C@H]1C(O)=CC(=O)C(F)F 397705749 582502923 /nfs/dbraw/zinc/50/29/23/582502923.db2.gz TUAAQRWVHHEIPW-YFKPBYRVSA-N 0 0 190.189 1.826 10 0 ADAERN CCn1ccc(NC(=O)C2(F)CC2)n1 855562550 582502929 /nfs/dbraw/zinc/50/29/29/582502929.db2.gz NMEOWMVBYKOSJQ-UHFFFAOYSA-N 0 0 197.213 1.344 10 0 ADAERN COC(C)(C)C(=O)NCCC=C(C)C 397828266 582502981 /nfs/dbraw/zinc/50/29/81/582502981.db2.gz QNLNGYCYBPTPNZ-UHFFFAOYSA-N 0 0 199.294 1.884 10 0 ADAERN CCC(C=O)=C(O)[C@@H]1CC1(C)C 397688844 582503044 /nfs/dbraw/zinc/50/30/44/582503044.db2.gz MJOXWHSJYXDQHF-YUMQZZPRSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1n[nH]cc1-c1ccccn1 146997977 582503428 /nfs/dbraw/zinc/50/34/28/582503428.db2.gz COPMQTPGJIHHIT-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CC1(C)C[C@H]1C(=O)C=C(O)C1CC1 397700383 582503181 /nfs/dbraw/zinc/50/31/81/582503181.db2.gz RHANFIOQIBSNFE-QMMMGPOBSA-N 0 0 180.247 1.971 10 0 ADAERN O=C(N[C@H]1C=CCC1)[C@@H]1C[C@@H]2C[C@@H]2C1 855435141 582503235 /nfs/dbraw/zinc/50/32/35/582503235.db2.gz YILQIECVKLWMKX-ZDCRXTMVSA-N 0 0 191.274 1.867 10 0 ADAERN CCC(C=O)=C(O)[C@@H]1CC1(C)C 397688843 582503245 /nfs/dbraw/zinc/50/32/45/582503245.db2.gz MJOXWHSJYXDQHF-SFYZADRCSA-N 0 0 168.236 1.827 10 0 ADAERN CCC(C=O)=C(O)[C@H]1CC1(C)C 397688842 582503324 /nfs/dbraw/zinc/50/33/24/582503324.db2.gz MJOXWHSJYXDQHF-JGVFFNPUSA-N 0 0 168.236 1.827 10 0 ADAERN O=C(CCC(F)F)N1CC(F)(F)C1 388347324 582503353 /nfs/dbraw/zinc/50/33/53/582503353.db2.gz MVLQNTQPOZKTFI-UHFFFAOYSA-N 0 0 199.147 1.509 10 0 ADAERN COCCC(=O)C=C(O)[C@H]1CC1(C)C 397728885 582503420 /nfs/dbraw/zinc/50/34/20/582503420.db2.gz ZJNCMVZULWOJQC-SECBINFHSA-N 0 0 198.262 1.597 10 0 ADAERN CCC(O)=CC(=O)[C@@H]1CC1(C)C 397717535 582503443 /nfs/dbraw/zinc/50/34/43/582503443.db2.gz WMQOKXLNMBFAOP-QMMMGPOBSA-N 0 0 168.236 1.971 10 0 ADAERN CCO/C=C/C(=O)OC/C=C/Cl 840593363 582503649 /nfs/dbraw/zinc/50/36/49/582503649.db2.gz XOGDRXRSFRDGAW-HJIKTHEYSA-N 0 0 190.626 1.832 10 0 ADAERN CCO/C=C\C(=O)OC/C=C\Cl 840593365 582503668 /nfs/dbraw/zinc/50/36/68/582503668.db2.gz XOGDRXRSFRDGAW-XDYPTIOJSA-N 0 0 190.626 1.832 10 0 ADAERN CC(=O)OCCCc1ccoc1 893338396 582503670 /nfs/dbraw/zinc/50/36/70/582503670.db2.gz NVPSYGDXELINBM-UHFFFAOYSA-N 0 0 168.192 1.775 10 0 ADAERN CCO/C=C/C(=O)OC/C=C\Cl 840593368 582503681 /nfs/dbraw/zinc/50/36/81/582503681.db2.gz XOGDRXRSFRDGAW-XKSOLRDRSA-N 0 0 190.626 1.832 10 0 ADAERN CCO/C=C\C(=O)OC/C=C/Cl 840593361 582503696 /nfs/dbraw/zinc/50/36/96/582503696.db2.gz XOGDRXRSFRDGAW-AECUNDDTSA-N 0 0 190.626 1.832 10 0 ADAERN CC(=O)Nc1nn(C)cc1Cl 893944433 582508688 /nfs/dbraw/zinc/50/86/88/582508688.db2.gz YRBDTPVCJXWLDK-UHFFFAOYSA-N 0 0 173.603 1.032 10 0 ADAERN Cc1ncoc1CN(C)[C@H]1CCOC1 894001771 582508695 /nfs/dbraw/zinc/50/86/95/582508695.db2.gz JYELHUUPDORWPQ-VIFPVBQESA-N 0 0 196.250 1.204 10 0 ADAERN Cc1ncoc1CN(C)[C@@H]1CCOC1 894001770 582508718 /nfs/dbraw/zinc/50/87/18/582508718.db2.gz JYELHUUPDORWPQ-SECBINFHSA-N 0 0 196.250 1.204 10 0 ADAERN CCC(CC)[C@@H](O)c1cn[nH]c1 388499068 582504259 /nfs/dbraw/zinc/50/42/59/582504259.db2.gz LIUILVGSIGGRPK-SECBINFHSA-N 0 0 168.240 1.879 10 0 ADAERN C/C=C(\C)C(=O)NC[C@H]1C[C@H](OC)C1 893396037 582504787 /nfs/dbraw/zinc/50/47/87/582504787.db2.gz NWDHVYRKHOLKAY-WXTRIPNZSA-N 0 0 197.278 1.494 10 0 ADAERN CC1CN(C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)C1 867831886 582504819 /nfs/dbraw/zinc/50/48/19/582504819.db2.gz AECPTBDMAGLFFZ-LMLFDSFASA-N 0 0 193.290 1.757 10 0 ADAERN C/C=C(/C)C(=O)NC[C@H]1C[C@H](OC)C1 893396035 582504847 /nfs/dbraw/zinc/50/48/47/582504847.db2.gz NWDHVYRKHOLKAY-OWLUNTSSSA-N 0 0 197.278 1.494 10 0 ADAERN CC1CN(C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)C1 867831882 582504855 /nfs/dbraw/zinc/50/48/55/582504855.db2.gz AECPTBDMAGLFFZ-GWOFURMSSA-N 0 0 193.290 1.757 10 0 ADAERN CC1CN(C(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)C1 867831888 582504860 /nfs/dbraw/zinc/50/48/60/582504860.db2.gz AECPTBDMAGLFFZ-UKKRHICBSA-N 0 0 193.290 1.757 10 0 ADAERN CC1CN(C(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)C1 867831887 582504912 /nfs/dbraw/zinc/50/49/12/582504912.db2.gz AECPTBDMAGLFFZ-LNFKQOIKSA-N 0 0 193.290 1.757 10 0 ADAERN CC(C)C(=O)OC1CCOCC1 147020637 582504931 /nfs/dbraw/zinc/50/49/31/582504931.db2.gz DGCFCMDQMROPAP-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN CCN(CCSC)c1cccnn1 591998947 582505106 /nfs/dbraw/zinc/50/51/06/582505106.db2.gz GBJXXERCAVVNCI-UHFFFAOYSA-N 0 0 197.307 1.666 10 0 ADAERN CCN(CCSC)c1ncccn1 591999007 582505122 /nfs/dbraw/zinc/50/51/22/582505122.db2.gz GTZRGRDJHUGFHY-UHFFFAOYSA-N 0 0 197.307 1.666 10 0 ADAERN CCC[C@H](C)C(=O)N[C@H]1CCCOC1 591999064 582505141 /nfs/dbraw/zinc/50/51/41/582505141.db2.gz HWLORJBWWQGLMS-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN CCC[C@@H](C)C(=O)N[C@@H]1CCCOC1 591999051 582505145 /nfs/dbraw/zinc/50/51/45/582505145.db2.gz HWLORJBWWQGLMS-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN CO[C@@H](C)C(=O)OC[C@@H]1CC12CCC2 893468489 582505564 /nfs/dbraw/zinc/50/55/64/582505564.db2.gz IDWFVGAGPDCSAL-IUCAKERBSA-N 0 0 198.262 1.755 10 0 ADAERN CO[C@@H](C)C(=O)OC[C@H]1CC12CCC2 893468488 582505461 /nfs/dbraw/zinc/50/54/61/582505461.db2.gz IDWFVGAGPDCSAL-DTWKUNHWSA-N 0 0 198.262 1.755 10 0 ADAERN Cc1nn(Cc2cnoc2)c(C)c1N 37676440 582505478 /nfs/dbraw/zinc/50/54/78/582505478.db2.gz YQCXROLQAWNKFE-UHFFFAOYSA-N 0 0 192.222 1.118 10 0 ADAERN CC1(C(=O)OC2CC2)CC1 147037020 582505530 /nfs/dbraw/zinc/50/55/30/582505530.db2.gz UUUNIAKAFHIPKC-UHFFFAOYSA-N 0 0 140.182 1.492 10 0 ADAERN CO[C@H](C)C(=O)OC[C@@H]1CC12CCC2 893468487 582505562 /nfs/dbraw/zinc/50/55/62/582505562.db2.gz IDWFVGAGPDCSAL-BDAKNGLRSA-N 0 0 198.262 1.755 10 0 ADAERN CO[C@H](C)C(=O)OC[C@H]1CC12CCC2 893468490 582505567 /nfs/dbraw/zinc/50/55/67/582505567.db2.gz IDWFVGAGPDCSAL-RKDXNWHRSA-N 0 0 198.262 1.755 10 0 ADAERN O=C(C1=CCC1)N1CC[C@H](CF)C1 893492306 582505681 /nfs/dbraw/zinc/50/56/81/582505681.db2.gz IJFFOUWTXSNDHF-MRVPVSSYSA-N 0 0 183.226 1.525 10 0 ADAERN O=C(C1=CCC1)N1CC[C@@H](CF)C1 893492307 582505702 /nfs/dbraw/zinc/50/57/02/582505702.db2.gz IJFFOUWTXSNDHF-QMMMGPOBSA-N 0 0 183.226 1.525 10 0 ADAERN O=C([O-])NCCC[NH+]1CCCCC1 147067533 582506091 /nfs/dbraw/zinc/50/60/91/582506091.db2.gz VWDIDVHGLVLZTK-UHFFFAOYSA-N 0 0 186.255 1.130 10 0 ADAERN COC(=O)NC(C)(C)C(F)F 17503938 582506511 /nfs/dbraw/zinc/50/65/11/582506511.db2.gz OYOSLWOHFJXEQL-UHFFFAOYSA-N 0 0 167.155 1.386 10 0 ADAERN CC[C@H](C)C(=O)OC[C@@H](C)CO 219866876 582506530 /nfs/dbraw/zinc/50/65/30/582506530.db2.gz SVSSTPNFWSNRFT-YUMQZZPRSA-N 0 0 174.240 1.204 10 0 ADAERN CCOCC(=O)OC[C@@]12CCC[C@@H]1C2 893623792 582506571 /nfs/dbraw/zinc/50/65/71/582506571.db2.gz GMXXHEIWVDLPNL-KOLCDFICSA-N 0 0 198.262 1.756 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)OC1CC1 21084318 582506664 /nfs/dbraw/zinc/50/66/64/582506664.db2.gz BIIZSBZEQPIDTN-FSPLSTOPSA-N 0 0 140.182 1.348 10 0 ADAERN O=c1[nH]sc2c(F)cccc12 6567303 582506700 /nfs/dbraw/zinc/50/67/00/582506700.db2.gz ZYKJOSTUGJOCHI-UHFFFAOYSA-N 0 0 169.180 1.729 10 0 ADAERN CC(=O)OCC1(C)CCC1 219523003 582506909 /nfs/dbraw/zinc/50/69/09/582506909.db2.gz MLHQOENWMJLAPY-UHFFFAOYSA-N 0 0 142.198 1.740 10 0 ADAERN c1csc(N[C@@H]2[C@H]3COC[C@H]32)n1 893624351 582506923 /nfs/dbraw/zinc/50/69/23/582506923.db2.gz NBTXGBHTRFZZEY-ZMONIFLSSA-N 0 0 182.248 1.200 10 0 ADAERN C=CC(=O)N[C@H]1CC[C@H](F)C1 888098869 582507120 /nfs/dbraw/zinc/50/71/20/582507120.db2.gz XLNLQDQBDUHEBL-BQBZGAKWSA-N 0 0 157.188 1.179 10 0 ADAERN C=CC(=O)N1CCS[C@@H]2CCC[C@H]21 888098558 582507134 /nfs/dbraw/zinc/50/71/34/582507134.db2.gz OHCOORCXVBODRF-RKDXNWHRSA-N 0 0 197.303 1.669 10 0 ADAERN C=CC(=O)N1CCS[C@@H]2CCC[C@@H]21 888098551 582507156 /nfs/dbraw/zinc/50/71/56/582507156.db2.gz OHCOORCXVBODRF-DTWKUNHWSA-N 0 0 197.303 1.669 10 0 ADAERN C/C=C(\C)C(=O)OC1CC(COC)C1 893637476 582507158 /nfs/dbraw/zinc/50/71/58/582507158.db2.gz GWCMDFGWZALDEZ-XBXARRHUSA-N 0 0 198.262 1.921 10 0 ADAERN C=CC(=O)N1CCS[C@H]2CCC[C@@H]21 888098554 582507183 /nfs/dbraw/zinc/50/71/83/582507183.db2.gz OHCOORCXVBODRF-IUCAKERBSA-N 0 0 197.303 1.669 10 0 ADAERN C=CC(=O)N[C@H]1CC[C@@H](F)C1 888098889 582507184 /nfs/dbraw/zinc/50/71/84/582507184.db2.gz XLNLQDQBDUHEBL-RQJHMYQMSA-N 0 0 157.188 1.179 10 0 ADAERN C=CC(=O)N1CCS[C@H]2CCC[C@H]21 888098543 582507209 /nfs/dbraw/zinc/50/72/09/582507209.db2.gz OHCOORCXVBODRF-BDAKNGLRSA-N 0 0 197.303 1.669 10 0 ADAERN COCC1CC(OC(=O)C2(C)CC2)C1 893636478 582507246 /nfs/dbraw/zinc/50/72/46/582507246.db2.gz AJADPUMXQONBRE-UHFFFAOYSA-N 0 0 198.262 1.755 10 0 ADAERN C=CC(=O)N[C@@H]1CC[C@@H](F)C1 888098888 582507263 /nfs/dbraw/zinc/50/72/63/582507263.db2.gz XLNLQDQBDUHEBL-RNFRBKRXSA-N 0 0 157.188 1.179 10 0 ADAERN C=CC(=O)N[C@@H]1CC[C@H](F)C1 888098887 582507281 /nfs/dbraw/zinc/50/72/81/582507281.db2.gz XLNLQDQBDUHEBL-NKWVEPMBSA-N 0 0 157.188 1.179 10 0 ADAERN C=CC(=O)NC1(CF)CCC1 888098439 582507284 /nfs/dbraw/zinc/50/72/84/582507284.db2.gz KZPRCWKWTGEORG-UHFFFAOYSA-N 0 0 157.188 1.181 10 0 ADAERN COC(C)(C)C(=O)Nc1cc(C)on1 224033733 582507321 /nfs/dbraw/zinc/50/73/21/582507321.db2.gz WMZVPJHWJKFHTM-UHFFFAOYSA-N 0 0 198.222 1.347 10 0 ADAERN COC(=O)CN(C)Cc1cc(C)co1 893946534 582508724 /nfs/dbraw/zinc/50/87/24/582508724.db2.gz CCHMZHCPMXKBED-UHFFFAOYSA-N 0 0 197.234 1.193 10 0 ADAERN C/C=C(/C)C(=O)OC1CC(COC)C1 893637477 582507388 /nfs/dbraw/zinc/50/73/88/582507388.db2.gz GWCMDFGWZALDEZ-YWEYNIOJSA-N 0 0 198.262 1.921 10 0 ADAERN CC(=O)O[C@@H]1CO[C@@H]1c1ccccc1 893647258 582507477 /nfs/dbraw/zinc/50/74/77/582507477.db2.gz JAPBRKHGZLNNGA-GHMZBOCLSA-N 0 0 192.214 1.690 10 0 ADAERN Fc1ccc(-c2cncnc2)cn1 225673335 582507480 /nfs/dbraw/zinc/50/74/80/582507480.db2.gz CCQGSAXEWZDZIF-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN COCC1CC(OC(=O)CCF)C1 893647890 582507570 /nfs/dbraw/zinc/50/75/70/582507570.db2.gz UNZVDKMDQLDZLR-UHFFFAOYSA-N 0 0 190.214 1.314 10 0 ADAERN CCNC(=S)NC[C@H](C)C(C)C 125370366 582507912 /nfs/dbraw/zinc/50/79/12/582507912.db2.gz UPUCJECUXFKEFO-QMMMGPOBSA-N 0 0 188.340 1.763 10 0 ADAERN CC(=O)N1CCC(C(C)(C)O)CC1 203950648 582507959 /nfs/dbraw/zinc/50/79/59/582507959.db2.gz FSUVSICOFZZCEL-UHFFFAOYSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1coc(COC(=O)C(F)F)c1 893745708 582508073 /nfs/dbraw/zinc/50/80/73/582508073.db2.gz PIWVEFBAYGJECU-UHFFFAOYSA-N 0 0 190.145 1.896 10 0 ADAERN CCC1(C(=O)N[C@@H](C)C(F)F)CC1 894041438 582508533 /nfs/dbraw/zinc/50/85/33/582508533.db2.gz GEAHKRGRPVNLJI-LURJTMIESA-N 0 0 191.221 1.946 10 0 ADAERN CS/C=C/C(=O)N[C@@H](C)C(F)F 894041480 582508537 /nfs/dbraw/zinc/50/85/37/582508537.db2.gz HBKKTYNHZKUAEJ-BHYDHMSTSA-N 0 0 195.234 1.633 10 0 ADAERN Cc1coc(CN2CCOC[C@@H]2C)c1 893962589 582508622 /nfs/dbraw/zinc/50/86/22/582508622.db2.gz OHASEDOAQDVXFF-JTQLQIEISA-N 0 0 195.262 1.809 10 0 ADAERN Cc1coc(CN2CCOC[C@H]2C)c1 893962590 582508661 /nfs/dbraw/zinc/50/86/61/582508661.db2.gz OHASEDOAQDVXFF-SNVBAGLBSA-N 0 0 195.262 1.809 10 0 ADAERN CS/C=C\C(=O)N[C@@H](C)C(F)F 894041498 582508802 /nfs/dbraw/zinc/50/88/02/582508802.db2.gz HBKKTYNHZKUAEJ-XUELKZDXSA-N 0 0 195.234 1.633 10 0 ADAERN C/C=C/C(=O)Nc1nn(C)cc1Cl 893943970 582508870 /nfs/dbraw/zinc/50/88/70/582508870.db2.gz IKIFHCJCFSXFJX-ONEGZZNKSA-N 0 0 199.641 1.588 10 0 ADAERN C[C@H](NC(=O)/C=C\C1CC1)C(F)F 894041075 582508886 /nfs/dbraw/zinc/50/88/86/582508886.db2.gz BZBVZABLESSYGQ-XSIKTDMUSA-N 0 0 189.205 1.722 10 0 ADAERN CS/C=C/C(=O)N[C@H](C)C(F)F 894041497 582508951 /nfs/dbraw/zinc/50/89/51/582508951.db2.gz HBKKTYNHZKUAEJ-QLSVQJPWSA-N 0 0 195.234 1.633 10 0 ADAERN CCC(=O)Nc1nn(C)cc1Cl 893943950 582509025 /nfs/dbraw/zinc/50/90/25/582509025.db2.gz HTNSMXMNYYUHCY-UHFFFAOYSA-N 0 0 187.630 1.422 10 0 ADAERN Cc1ncoc1CN1CCOC[C@@H]1C 893961562 582509071 /nfs/dbraw/zinc/50/90/71/582509071.db2.gz BXEOJUNIJQMSGS-QMMMGPOBSA-N 0 0 196.250 1.204 10 0 ADAERN c1csc(N2Cc3c[nH]nc3C2)n1 893943998 582509120 /nfs/dbraw/zinc/50/91/20/582509120.db2.gz VXYOQDKGJUGUDV-UHFFFAOYSA-N 0 0 192.247 1.386 10 0 ADAERN CS/C=C\C(=O)N[C@H](C)C(F)F 894041495 582509181 /nfs/dbraw/zinc/50/91/81/582509181.db2.gz HBKKTYNHZKUAEJ-CLBPYYFESA-N 0 0 195.234 1.633 10 0 ADAERN C[C@@H](NC(=O)/C=C\C1CC1)C(F)F 894041074 582509149 /nfs/dbraw/zinc/50/91/49/582509149.db2.gz BZBVZABLESSYGQ-WWVFMHICSA-N 0 0 189.205 1.722 10 0 ADAERN Cn1cc(Cl)c(NC(=O)C2CC2)n1 893944418 582509182 /nfs/dbraw/zinc/50/91/82/582509182.db2.gz XYXLFOXSSBBHJD-UHFFFAOYSA-N 0 0 199.641 1.422 10 0 ADAERN 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193.246 1.737 10 0 ADAERN Cc1cnc(C)c(NCC(F)F)n1 147895204 582532513 /nfs/dbraw/zinc/53/25/13/582532513.db2.gz UENMNHVZVVKIEB-UHFFFAOYSA-N 0 0 187.193 1.770 10 0 ADAERN c1ncc(CN2CC3(CC3)C2)cn1 896122856 582532514 /nfs/dbraw/zinc/53/25/14/582532514.db2.gz ZDJWOZDJUYSJBB-UHFFFAOYSA-N 0 0 175.235 1.072 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc(COC2CC2)n1 896124081 582532691 /nfs/dbraw/zinc/53/26/91/582532691.db2.gz QOOJYEGSZLYUOG-SVRRBLITSA-N 0 0 194.234 1.872 10 0 ADAERN CC[C@H](C)c1nc(-c2cn[nH]c2)no1 896538684 582532953 /nfs/dbraw/zinc/53/29/53/582532953.db2.gz FWIHPXAJYZEBED-LURJTMIESA-N 0 0 192.222 1.973 10 0 ADAERN c1n[nH]cc1-c1noc(C2CCC2)n1 896537517 582532965 /nfs/dbraw/zinc/53/29/65/582532965.db2.gz ZYDJENKLECAWQV-UHFFFAOYSA-N 0 0 190.206 1.727 10 0 ADAERN c1ccc(O[C@H]2CCOC2)nc1 147963341 582533005 /nfs/dbraw/zinc/53/30/05/582533005.db2.gz MBVZUFGDKMXQJS-QMMMGPOBSA-N 0 0 165.192 1.249 10 0 ADAERN C[C@H]1C[C@H]1c1nc(-c2cn[nH]c2)no1 896537083 582533061 /nfs/dbraw/zinc/53/30/61/582533061.db2.gz XSMIQXLZMLAZHU-CAHLUQPWSA-N 0 0 190.206 1.583 10 0 ADAERN CCc1nc(-c2cn[nH]c2)no1 896541093 582533104 /nfs/dbraw/zinc/53/31/04/582533104.db2.gz IJLHPQCXGSUMIR-UHFFFAOYSA-N 0 0 164.168 1.022 10 0 ADAERN CC[C@@](C)(C#N)C(=O)OCCOC 147962052 582533179 /nfs/dbraw/zinc/53/31/79/582533179.db2.gz GJAANLWGZHFYDO-VIFPVBQESA-N 0 0 185.223 1.116 10 0 ADAERN CO[C@H](C)c1nc(-c2cn[nH]c2)no1 896540259 582533241 /nfs/dbraw/zinc/53/32/41/582533241.db2.gz WORVXJNUOKDAAR-RXMQYKEDSA-N 0 0 194.194 1.167 10 0 ADAERN c1n[nH]cc1-c1noc(C2CC2)n1 896535249 582533272 /nfs/dbraw/zinc/53/32/72/582533272.db2.gz QMHHPXBVPJEYOB-UHFFFAOYSA-N 0 0 176.179 1.337 10 0 ADAERN CCCc1nc(-c2cn[nH]c2)no1 896536502 582533274 /nfs/dbraw/zinc/53/32/74/582533274.db2.gz VGVNSDBOPQGNKE-UHFFFAOYSA-N 0 0 178.195 1.412 10 0 ADAERN CC1(c2noc(COC3CC3)n2)CC1 896441100 582533282 /nfs/dbraw/zinc/53/32/82/582533282.db2.gz QKJXHJJNOTVHLN-UHFFFAOYSA-N 0 0 194.234 1.800 10 0 ADAERN CO[C@@H](C)c1nc(-c2cn[nH]c2)no1 896540260 582533290 /nfs/dbraw/zinc/53/32/90/582533290.db2.gz WORVXJNUOKDAAR-YFKPBYRVSA-N 0 0 194.194 1.167 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(-c2cn[nH]c2)no1 896537086 582533306 /nfs/dbraw/zinc/53/33/06/582533306.db2.gz XSMIQXLZMLAZHU-VDTYLAMSSA-N 0 0 190.206 1.583 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(-c2cn[nH]c2)no1 896537085 582533322 /nfs/dbraw/zinc/53/33/22/582533322.db2.gz XSMIQXLZMLAZHU-IYSWYEEDSA-N 0 0 190.206 1.583 10 0 ADAERN CC[C@@H](C)c1nc(-c2cn[nH]c2)no1 896538686 582533344 /nfs/dbraw/zinc/53/33/44/582533344.db2.gz FWIHPXAJYZEBED-ZCFIWIBFSA-N 0 0 192.222 1.973 10 0 ADAERN CC1(c2nc(-c3cn[nH]c3)no2)CC1 896544847 582533345 /nfs/dbraw/zinc/53/33/45/582533345.db2.gz MOOHQTWHCNSTLG-UHFFFAOYSA-N 0 0 190.206 1.511 10 0 ADAERN FC1(c2nc(-c3cn[nH]c3)no2)CC1 896547885 582533346 /nfs/dbraw/zinc/53/33/46/582533346.db2.gz FEELAKWABFBIJA-UHFFFAOYSA-N 0 0 194.169 1.418 10 0 ADAERN CC[C@](C)(C#N)C(=O)OCCOC 147962220 582533352 /nfs/dbraw/zinc/53/33/52/582533352.db2.gz GJAANLWGZHFYDO-SECBINFHSA-N 0 0 185.223 1.116 10 0 ADAERN CC(C)(F)c1nc(-c2cn[nH]c2)no1 896544878 582533360 /nfs/dbraw/zinc/53/33/60/582533360.db2.gz NEMLSIYZEBRZNP-UHFFFAOYSA-N 0 0 196.185 1.664 10 0 ADAERN CC(C)Cc1nc(-c2cn[nH]c2)no1 896535214 582533373 /nfs/dbraw/zinc/53/33/73/582533373.db2.gz PTIPGJZJPSRCMW-UHFFFAOYSA-N 0 0 192.222 1.658 10 0 ADAERN FC1(c2nc(-c3c[nH]cn3)no2)CC1 896483309 582533386 /nfs/dbraw/zinc/53/33/86/582533386.db2.gz XADASBBVNLQJNI-UHFFFAOYSA-N 0 0 194.169 1.418 10 0 ADAERN FCCCc1nc(-c2cn[nH]c2)no1 896548826 582533387 /nfs/dbraw/zinc/53/33/87/582533387.db2.gz LQTZVQNPFXCSPW-UHFFFAOYSA-N 0 0 196.185 1.362 10 0 ADAERN CSCc1nc(-c2c[nH]cn2)no1 896488675 582533389 /nfs/dbraw/zinc/53/33/89/582533389.db2.gz FTISNZZTDGXCCY-UHFFFAOYSA-N 0 0 196.235 1.323 10 0 ADAERN CC(C)c1nc(-c2cn[nH]c2)no1 896535538 582533411 /nfs/dbraw/zinc/53/34/11/582533411.db2.gz RQPNXUQAYVEOCI-UHFFFAOYSA-N 0 0 178.195 1.583 10 0 ADAERN CC(C)(F)c1nc(-c2c[nH]cn2)no1 896487605 582533441 /nfs/dbraw/zinc/53/34/41/582533441.db2.gz GLCGVQOXHFPSPC-UHFFFAOYSA-N 0 0 196.185 1.664 10 0 ADAERN CCCCc1nc(-c2cn[nH]c2)no1 896535264 582533477 /nfs/dbraw/zinc/53/34/77/582533477.db2.gz QRZURRMJDNHLRL-UHFFFAOYSA-N 0 0 192.222 1.802 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(-c2cn[nH]c2)no1 896537084 582533504 /nfs/dbraw/zinc/53/35/04/582533504.db2.gz XSMIQXLZMLAZHU-FSPLSTOPSA-N 0 0 190.206 1.583 10 0 ADAERN CC(C)(C)c1nc(-c2cn[nH]c2)no1 896542327 582533514 /nfs/dbraw/zinc/53/35/14/582533514.db2.gz PULLTULOELHLCI-UHFFFAOYSA-N 0 0 192.222 1.757 10 0 ADAERN CSCc1nc(-c2cn[nH]c2)no1 896533687 582533552 /nfs/dbraw/zinc/53/35/52/582533552.db2.gz IYFCARCIWXTTKB-UHFFFAOYSA-N 0 0 196.235 1.323 10 0 ADAERN CON(C)C(=O)[C@@H](C)C1CC1 147992843 582533867 /nfs/dbraw/zinc/53/38/67/582533867.db2.gz AEAIHVXPSRYCQN-LURJTMIESA-N 0 0 157.213 1.052 10 0 ADAERN CC1CC(NC(=O)[C@H]2C[C@H](C)CO2)C1 896825341 582535200 /nfs/dbraw/zinc/53/52/00/582535200.db2.gz IGBQXYDSYLWPKY-RVXWLBMTSA-N 0 0 197.278 1.326 10 0 ADAERN CCCNC(=O)/C=C(\C)CC 147983648 582534073 /nfs/dbraw/zinc/53/40/73/582534073.db2.gz GMGHEFSHRORZKU-BQYQJAHWSA-N 0 0 155.241 1.869 10 0 ADAERN CC1CC(NC(=O)[C@H]2C[C@@H](C)CO2)C1 896825339 582535205 /nfs/dbraw/zinc/53/52/05/582535205.db2.gz IGBQXYDSYLWPKY-QLVNRRSVSA-N 0 0 197.278 1.326 10 0 ADAERN CON(C)C(=O)[C@H](C)C1CC1 147993039 582534272 /nfs/dbraw/zinc/53/42/72/582534272.db2.gz AEAIHVXPSRYCQN-ZCFIWIBFSA-N 0 0 157.213 1.052 10 0 ADAERN CCC/C(C)=C/C(=O)NCC#N 148022095 582534293 /nfs/dbraw/zinc/53/42/93/582534293.db2.gz CJFKKSRWVGSNTQ-BQYQJAHWSA-N 0 0 166.224 1.373 10 0 ADAERN CC1(c2nc(C3CSC3)no2)CC1 896723731 582534412 /nfs/dbraw/zinc/53/44/12/582534412.db2.gz TZIQOJIUFCEHAU-UHFFFAOYSA-N 0 0 196.275 1.952 10 0 ADAERN CC/C=C\COC(=O)[C@@H]1CCCOC1 727955030 582534505 /nfs/dbraw/zinc/53/45/05/582534505.db2.gz JTVITNCGPYAJLD-UMBAGQNISA-N 0 0 198.262 1.922 10 0 ADAERN CC1CC(NC(=O)[C@@H]2C[C@@H](C)CO2)C1 896825340 582534525 /nfs/dbraw/zinc/53/45/25/582534525.db2.gz IGBQXYDSYLWPKY-RGWUEKKESA-N 0 0 197.278 1.326 10 0 ADAERN CCCONC(=O)OCC 114056177 582534610 /nfs/dbraw/zinc/53/46/10/582534610.db2.gz GDJSFQBUNZUUMO-UHFFFAOYSA-N 0 0 147.174 1.074 10 0 ADAERN C/C(=C\C(C)(C)C)C(N)=O 114078254 582534761 /nfs/dbraw/zinc/53/47/61/582534761.db2.gz QJUCCGSXGKTYBT-AATRIKPKSA-N 0 0 141.214 1.464 10 0 ADAERN CC[C@@H](C)OC(=O)c1nccc(C)n1 795794316 582534770 /nfs/dbraw/zinc/53/47/70/582534770.db2.gz HINXAHSNSAOJFW-MRVPVSSYSA-N 0 0 194.234 1.740 10 0 ADAERN CC/C=C\COC(=O)[C@H]1CCCOC1 727955031 582534860 /nfs/dbraw/zinc/53/48/60/582534860.db2.gz JTVITNCGPYAJLD-XOULXFPDSA-N 0 0 198.262 1.922 10 0 ADAERN CC/C=C/COC(=O)[C@H]1CCCOC1 727955028 582535049 /nfs/dbraw/zinc/53/50/49/582535049.db2.gz JTVITNCGPYAJLD-FSIBCCDJSA-N 0 0 198.262 1.922 10 0 ADAERN CCOC(=O)C1(c2cc(C)no2)CC1 148070311 582535078 /nfs/dbraw/zinc/53/50/78/582535078.db2.gz VXTOAKCGKNSTEV-UHFFFAOYSA-N 0 0 195.218 1.578 10 0 ADAERN CC[C@H](C)OC(=O)c1nccc(C)n1 795794317 582535137 /nfs/dbraw/zinc/53/51/37/582535137.db2.gz HINXAHSNSAOJFW-QMMMGPOBSA-N 0 0 194.234 1.740 10 0 ADAERN CC/C=C/COC(=O)[C@@H]1CCCOC1 727955029 582535150 /nfs/dbraw/zinc/53/51/50/582535150.db2.gz JTVITNCGPYAJLD-HMDXOVGESA-N 0 0 198.262 1.922 10 0 ADAERN FC1(CN2CCn3cccc3C2)CC1 896761964 582535167 /nfs/dbraw/zinc/53/51/67/582535167.db2.gz XJBZCYKDNKWBGG-UHFFFAOYSA-N 0 0 194.253 1.806 10 0 ADAERN CC1CC(NC(=O)[C@@H]2C[C@H](C)CO2)C1 896825336 582535226 /nfs/dbraw/zinc/53/52/26/582535226.db2.gz IGBQXYDSYLWPKY-LRHRNSLUSA-N 0 0 197.278 1.326 10 0 ADAERN C/C=C(\C)C(=O)OCCOCC1CC1 750897673 582535494 /nfs/dbraw/zinc/53/54/94/582535494.db2.gz BYDFISPGCSVCIE-YCRREMRBSA-N 0 0 198.262 1.922 10 0 ADAERN C/C=C(/C)C(=O)OCCOCC1CC1 750897672 582535781 /nfs/dbraw/zinc/53/57/81/582535781.db2.gz BYDFISPGCSVCIE-OQFOIZHKSA-N 0 0 198.262 1.922 10 0 ADAERN CCCC[C@H]1CC[NH2+][C@@H](C(=O)[O-])C1 143108573 582536048 /nfs/dbraw/zinc/53/60/48/582536048.db2.gz YJGGBMKCNMLJBD-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN CC(=O)COC(=O)CC1CC(C)(C)C1 796283249 582536127 /nfs/dbraw/zinc/53/61/27/582536127.db2.gz SEVZTLWHVHZNOC-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CCCOCC1 334729282 582536753 /nfs/dbraw/zinc/53/67/53/582536753.db2.gz MQIWDHKMIZKPJT-NXEZZACHSA-N 0 0 197.278 1.281 10 0 ADAERN CCCSC[C@@H](C)S(C)(=O)=O 842170990 582539795 /nfs/dbraw/zinc/53/97/95/582539795.db2.gz GMRZBYJZRWVPLH-SSDOTTSWSA-N 0 0 196.337 1.563 10 0 ADAERN CO[C@@H](C)CC(=O)N1CCCC1(C)C 728282330 582537009 /nfs/dbraw/zinc/53/70/09/582537009.db2.gz VTMGFTWYYMYCCV-VIFPVBQESA-N 0 0 199.294 1.812 10 0 ADAERN CON(C)C(=O)C(C)(C)C(C)C 143246185 582537046 /nfs/dbraw/zinc/53/70/46/582537046.db2.gz CKKGEGVVWTVQKV-UHFFFAOYSA-N 0 0 173.256 1.688 10 0 ADAERN CO[C@H](C)CC(=O)N1CCCC1(C)C 728282329 582537169 /nfs/dbraw/zinc/53/71/69/582537169.db2.gz VTMGFTWYYMYCCV-SECBINFHSA-N 0 0 199.294 1.812 10 0 ADAERN CCCc1nc(-c2cccnn2)no1 897022167 582537284 /nfs/dbraw/zinc/53/72/84/582537284.db2.gz KEJPWMZADLKTFJ-UHFFFAOYSA-N 0 0 190.206 1.479 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@](C)([NH3+])CC 17572721 582537343 /nfs/dbraw/zinc/53/73/43/582537343.db2.gz FSNYKLURZIVYCL-SVRRBLITSA-N 0 0 159.229 1.225 10 0 ADAERN CCc1nc(-c2cccnn2)no1 897021651 582537851 /nfs/dbraw/zinc/53/78/51/582537851.db2.gz FLGPTMMEMBFWKD-UHFFFAOYSA-N 0 0 176.179 1.089 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@](C)([NH3+])CC 17572719 582537392 /nfs/dbraw/zinc/53/73/92/582537392.db2.gz FSNYKLURZIVYCL-XPUUQOCRSA-N 0 0 159.229 1.225 10 0 ADAERN Cc1c[nH]c(-c2noc(C(C)C)n2)n1 896929834 582537407 /nfs/dbraw/zinc/53/74/07/582537407.db2.gz NVPKZLQOHCYBRZ-UHFFFAOYSA-N 0 0 192.222 1.892 10 0 ADAERN CC(C)c1nc(-c2cccnn2)no1 897021921 582537569 /nfs/dbraw/zinc/53/75/69/582537569.db2.gz HMRRTTRVORVPRA-UHFFFAOYSA-N 0 0 190.206 1.650 10 0 ADAERN C[C@@H](CCO)NC(=O)C1(C2CC2)CC1 897000459 582537602 /nfs/dbraw/zinc/53/76/02/582537602.db2.gz ZMUMAQMVJNNOKN-QMMMGPOBSA-N 0 0 197.278 1.064 10 0 ADAERN Cc1c[nH]c(-c2noc(C3CC3)n2)n1 896929035 582537609 /nfs/dbraw/zinc/53/76/09/582537609.db2.gz BHDARJZNVHQCGS-UHFFFAOYSA-N 0 0 190.206 1.646 10 0 ADAERN C[C@@H](O)CCNC(=O)C1(C2CC2)CC1 897057279 582537749 /nfs/dbraw/zinc/53/77/49/582537749.db2.gz XYDXAJPXCTWNPA-MRVPVSSYSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H](CC1CC1)[NH2+][C@H](C)c1nnn[n-]1 95224793 1441921988 /nfs/dbraw/zinc/92/19/88/1441921988.db2.gz PSNDCGZJPUQCIU-NKWVEPMBSA-N 0 0 195.270 1.039 10 0 ADAERN CCC(=O)O[C@@H](C)C(=O)C(C)(C)C 869316723 582537811 /nfs/dbraw/zinc/53/78/11/582537811.db2.gz XSAHROBNNMDUHD-ZETCQYMHSA-N 0 0 186.251 1.943 10 0 ADAERN C[C@H](CCO)NC(=O)C1(C2CC2)CC1 897000458 582537818 /nfs/dbraw/zinc/53/78/18/582537818.db2.gz ZMUMAQMVJNNOKN-MRVPVSSYSA-N 0 0 197.278 1.064 10 0 ADAERN CCC(=O)O[C@H](C)C(=O)C(C)(C)C 869316722 582537822 /nfs/dbraw/zinc/53/78/22/582537822.db2.gz XSAHROBNNMDUHD-SSDOTTSWSA-N 0 0 186.251 1.943 10 0 ADAERN O=C(NCCCF)C1(C2CC2)CC1 897047862 582537829 /nfs/dbraw/zinc/53/78/29/582537829.db2.gz PEMISRLXCBZCQI-UHFFFAOYSA-N 0 0 185.242 1.652 10 0 ADAERN C[C@H](O)CCNC(=O)C1(C2CC2)CC1 897057280 582537865 /nfs/dbraw/zinc/53/78/65/582537865.db2.gz XYDXAJPXCTWNPA-QMMMGPOBSA-N 0 0 197.278 1.064 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@](C)([NH3+])CC 17572723 582537919 /nfs/dbraw/zinc/53/79/19/582537919.db2.gz FSNYKLURZIVYCL-POYBYMJQSA-N 0 0 159.229 1.225 10 0 ADAERN CCc1nc(-c2nc(C)c[nH]2)no1 896932818 582537950 /nfs/dbraw/zinc/53/79/50/582537950.db2.gz KHHFOGZGTVXIBD-UHFFFAOYSA-N 0 0 178.195 1.331 10 0 ADAERN CCCc1nc(-c2nc(C)c[nH]2)no1 896930138 582537973 /nfs/dbraw/zinc/53/79/73/582537973.db2.gz UFKGMFKTQONJSX-UHFFFAOYSA-N 0 0 192.222 1.721 10 0 ADAERN CC[C@H](C)n1cccc(N)c1=O 82521130 582538333 /nfs/dbraw/zinc/53/83/33/582538333.db2.gz CVHLXSXJNXQDPP-ZETCQYMHSA-N 0 0 166.224 1.402 10 0 ADAERN Nc1cccn(C2CCCC2)c1=O 82521131 582538405 /nfs/dbraw/zinc/53/84/05/582538405.db2.gz JJRISJAZCDBJOC-UHFFFAOYSA-N 0 0 178.235 1.546 10 0 ADAERN Nc1cccn(C2CCCCC2)c1=O 82521132 582538416 /nfs/dbraw/zinc/53/84/16/582538416.db2.gz FSPGISAVRACJES-UHFFFAOYSA-N 0 0 192.262 1.936 10 0 ADAERN CC[C@@H](C)n1cccc(N)c1=O 82521129 582538466 /nfs/dbraw/zinc/53/84/66/582538466.db2.gz CVHLXSXJNXQDPP-SSDOTTSWSA-N 0 0 166.224 1.402 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 869455608 582538492 /nfs/dbraw/zinc/53/84/92/582538492.db2.gz FADHZAVLPVEBMJ-XFTACLKFSA-N 0 0 193.290 1.971 10 0 ADAERN O=C(CCn1cccn1)OCC1CC1 728767639 582539449 /nfs/dbraw/zinc/53/94/49/582539449.db2.gz DRWPAOWUTCREQW-UHFFFAOYSA-N 0 0 194.234 1.226 10 0 ADAERN CCCSC[C@H](C)S(C)(=O)=O 842170992 582539652 /nfs/dbraw/zinc/53/96/52/582539652.db2.gz GMRZBYJZRWVPLH-ZETCQYMHSA-N 0 0 196.337 1.563 10 0 ADAERN CC(=O)O[C@@H](C)C(=O)C(C)(C)C 144073929 582540466 /nfs/dbraw/zinc/54/04/66/582540466.db2.gz GADUASLYYYXIGK-LURJTMIESA-N 0 0 172.224 1.553 10 0 ADAERN Cc1cc(Cl)nc(N2CCC2)n1 144344389 582540722 /nfs/dbraw/zinc/54/07/22/582540722.db2.gz UKZKCWUEPFNGOV-UHFFFAOYSA-N 0 0 183.642 1.649 10 0 ADAERN CC(=O)O[C@H](C)C(=O)C(C)(C)C 144073760 582540773 /nfs/dbraw/zinc/54/07/73/582540773.db2.gz GADUASLYYYXIGK-ZCFIWIBFSA-N 0 0 172.224 1.553 10 0 ADAERN CONC(=O)c1csc(C)c1 144045627 582540788 /nfs/dbraw/zinc/54/07/88/582540788.db2.gz AUXDALNDBMKUPN-UHFFFAOYSA-N 0 0 171.221 1.348 10 0 ADAERN CNC(=O)c1[nH]ccc1C1CC1 897340765 582540677 /nfs/dbraw/zinc/54/06/77/582540677.db2.gz XKTBXYDSVDLDLL-UHFFFAOYSA-N 0 0 164.208 1.252 10 0 ADAERN COC(=O)/C=C/c1cncs1 144402573 582540864 /nfs/dbraw/zinc/54/08/64/582540864.db2.gz QLSKTMPTLBIKOT-NSCUHMNNSA-N 0 0 169.205 1.329 10 0 ADAERN CC[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)[O-] 145152633 582541042 /nfs/dbraw/zinc/54/10/42/582541042.db2.gz HZGYQQDKBXSJBY-PRJMDXOYSA-N 0 0 171.240 1.225 10 0 ADAERN CCCCOC(=O)C[C@H](O)C(C)C 144782702 582541064 /nfs/dbraw/zinc/54/10/64/582541064.db2.gz CIBVEQHLJRUFHH-VIFPVBQESA-N 0 0 188.267 1.737 10 0 ADAERN CC(C)(C)C(=O)OC1CC1 145435623 582541178 /nfs/dbraw/zinc/54/11/78/582541178.db2.gz JDEQVEBBDGOEDE-UHFFFAOYSA-N 0 0 142.198 1.738 10 0 ADAERN COCCSc1nc(C)cc(C)n1 6281485 582541570 /nfs/dbraw/zinc/54/15/70/582541570.db2.gz BCBKJFRPAROYJS-UHFFFAOYSA-N 0 0 198.291 1.832 10 0 ADAERN CCON(CC)C(=O)C(C)C 144861552 582541724 /nfs/dbraw/zinc/54/17/24/582541724.db2.gz DFTNYQNZMVOFBW-UHFFFAOYSA-N 0 0 159.229 1.442 10 0 ADAERN CC[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)[O-] 145152993 582541787 /nfs/dbraw/zinc/54/17/87/582541787.db2.gz HZGYQQDKBXSJBY-CSMHCCOUSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@H]1[C@H](C)CN1C(=O)c1nncs1 527531236 582542062 /nfs/dbraw/zinc/54/20/62/582542062.db2.gz AGAWYBNXBBSZDA-RITPCOANSA-N 0 0 197.263 1.019 10 0 ADAERN CCCCCCOCC(=O)N(C)C 145485978 582542082 /nfs/dbraw/zinc/54/20/82/582542082.db2.gz YAJHQGGUUFLHII-UHFFFAOYSA-N 0 0 187.283 1.672 10 0 ADAERN C1=CCC(CNc2cccnn2)C1 527531416 582542345 /nfs/dbraw/zinc/54/23/45/582542345.db2.gz AWSZLPYXPXKPKH-UHFFFAOYSA-N 0 0 175.235 1.855 10 0 ADAERN C[C@H]1CN(C(=O)c2nncs2)[C@@H]1C 527531234 582542189 /nfs/dbraw/zinc/54/21/89/582542189.db2.gz AGAWYBNXBBSZDA-NTSWFWBYSA-N 0 0 197.263 1.019 10 0 ADAERN 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197.278 1.726 10 0 ADAERN CCOCCC(=O)OCc1ccoc1 751831607 582542674 /nfs/dbraw/zinc/54/26/74/582542674.db2.gz HGIFAWUSYRQDRH-UHFFFAOYSA-N 0 0 198.218 1.749 10 0 ADAERN CC1(C)C[C@H]1C(=O)OCc1ccno1 751804070 582542815 /nfs/dbraw/zinc/54/28/15/582542815.db2.gz YDUZUJYNDZRPQJ-QMMMGPOBSA-N 0 0 195.218 1.764 10 0 ADAERN C[C@@H]1C[C@H]1NC(=S)NC1(C)CCC1 840725885 582542860 /nfs/dbraw/zinc/54/28/60/582542860.db2.gz PTWUFLPQROXJDR-HTQZYQBOSA-N 0 0 198.335 1.802 10 0 ADAERN CC[C@@H](C)OC(=O)c1cnc(C)cn1 729077761 582543650 /nfs/dbraw/zinc/54/36/50/582543650.db2.gz DYSRWKCPSBWMKX-MRVPVSSYSA-N 0 0 194.234 1.740 10 0 ADAERN COCCCOC(=O)C[C@@H]1C=CCC1 729077765 582543690 /nfs/dbraw/zinc/54/36/90/582543690.db2.gz MYRCCDOHOLFMMD-SNVBAGLBSA-N 0 0 198.262 1.922 10 0 ADAERN CC[C@@H](C)OC(=O)c1cc(C)n(C)n1 729077166 582543741 /nfs/dbraw/zinc/54/37/41/582543741.db2.gz RPQFACZWHYPKDW-MRVPVSSYSA-N 0 0 196.250 1.684 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)O[C@H](C)C1CC1 729084315 582543743 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/nfs/dbraw/zinc/56/70/99/582567099.db2.gz ZZXDQOKTPURCDI-UHFFFAOYSA-N 0 0 198.197 1.388 10 0 ADAERN O=C(CCF)N1CCc2ccccc21 899922967 582567101 /nfs/dbraw/zinc/56/71/01/582567101.db2.gz AHPQKOGGZPIIQR-UHFFFAOYSA-N 0 0 193.221 1.935 10 0 ADAERN CCNC(=O)C(=O)C(C)(C)CC 899921689 582567108 /nfs/dbraw/zinc/56/71/08/582567108.db2.gz FLABTEUYCYLMAL-UHFFFAOYSA-N 0 0 171.240 1.128 10 0 ADAERN CCC/C=C\[C@@H](O)C(=O)NCC(C)C 899925018 582567116 /nfs/dbraw/zinc/56/71/16/582567116.db2.gz DUPIIPPPVGXASI-JYESYGNLSA-N 0 0 199.294 1.476 10 0 ADAERN C[C@H]1C[C@@H](C)CN(C(=O)CCF)C1 899917085 582567143 /nfs/dbraw/zinc/56/71/43/582567143.db2.gz DERRHPHZOIKPSM-DTORHVGOSA-N 0 0 187.258 1.851 10 0 ADAERN C[C@H]1C[C@H](C)CN(C(=O)CCF)C1 899917086 582567160 /nfs/dbraw/zinc/56/71/60/582567160.db2.gz DERRHPHZOIKPSM-IUCAKERBSA-N 0 0 187.258 1.851 10 0 ADAERN CCC(C)(C)C(=O)C(=O)NC1CC1 899925731 582567181 /nfs/dbraw/zinc/56/71/81/582567181.db2.gz ARPNMOIWLKYXCL-UHFFFAOYSA-N 0 0 183.251 1.270 10 0 ADAERN C/C=C/[C@H](O)C(=O)N1CCC[C@H](C)C1 899914651 582567206 /nfs/dbraw/zinc/56/72/06/582567206.db2.gz UTIIMNFILVQUFA-GMRPRLDHSA-N 0 0 197.278 1.182 10 0 ADAERN O=C(CCF)NCc1cccnc1 899915438 582567207 /nfs/dbraw/zinc/56/72/07/582567207.db2.gz JBWZMGAMXWBTQB-UHFFFAOYSA-N 0 0 182.198 1.057 10 0 ADAERN CCCNC(=O)/C=C(\C)Cl 899932217 582567218 /nfs/dbraw/zinc/56/72/18/582567218.db2.gz HSCHJZGBSOGHNO-AATRIKPKSA-N 0 0 161.632 1.655 10 0 ADAERN O=C(CCF)NC1CCCC1 899928107 582567262 /nfs/dbraw/zinc/56/72/62/582567262.db2.gz CZDHOERXIBLPRK-UHFFFAOYSA-N 0 0 159.204 1.405 10 0 ADAERN CCC/C=C/[C@@H](O)C(=O)NCC(C)C 899925019 582567265 /nfs/dbraw/zinc/56/72/65/582567265.db2.gz DUPIIPPPVGXASI-VQCYPWCPSA-N 0 0 199.294 1.476 10 0 ADAERN CCNC(=O)C(C)(C)c1nccs1 899921419 582567278 /nfs/dbraw/zinc/56/72/78/582567278.db2.gz CTPHYQVLWIKCSD-UHFFFAOYSA-N 0 0 198.291 1.557 10 0 ADAERN C/C=C\[C@H](O)C(=O)N(CCC)CCC 899914753 582567282 /nfs/dbraw/zinc/56/72/82/582567282.db2.gz CFGFDINIWBHGDU-VAWSOJLPSA-N 0 0 199.294 1.572 10 0 ADAERN C/C=C\[C@@H](O)C(=O)N(CCC)CCC 899914749 582567290 /nfs/dbraw/zinc/56/72/90/582567290.db2.gz CFGFDINIWBHGDU-ISGFRBBESA-N 0 0 199.294 1.572 10 0 ADAERN O=C(CCF)NCc1ccccn1 899916628 582567335 /nfs/dbraw/zinc/56/73/35/582567335.db2.gz XJGAMDZBQZTGDI-UHFFFAOYSA-N 0 0 182.198 1.057 10 0 ADAERN Cc1[nH]nc(Cl)c1C(=O)NC1CC1 899927717 582567358 /nfs/dbraw/zinc/56/73/58/582567358.db2.gz RPXKPJAJATYREW-UHFFFAOYSA-N 0 0 199.641 1.264 10 0 ADAERN C/C=C/[C@@H](O)C(=O)N(CCC)CCC 899914750 582567370 /nfs/dbraw/zinc/56/73/70/582567370.db2.gz CFGFDINIWBHGDU-LJJSCBMDSA-N 0 0 199.294 1.572 10 0 ADAERN C/C=C\[C@H](O)C(=O)NC(CC)CC 899930846 582567376 /nfs/dbraw/zinc/56/73/76/582567376.db2.gz ZAPIYLIKCDWTCM-WYDVEAGSSA-N 0 0 185.267 1.228 10 0 ADAERN CCC(CC)NC(=O)CCF 899929577 582567381 /nfs/dbraw/zinc/56/73/81/582567381.db2.gz LHXZMAYWKSTBAM-UHFFFAOYSA-N 0 0 161.220 1.651 10 0 ADAERN CCCCNC(=O)C(=O)C(C)(C)CC 899917401 582567399 /nfs/dbraw/zinc/56/73/99/582567399.db2.gz IEARBFGBMSUMII-UHFFFAOYSA-N 0 0 199.294 1.908 10 0 ADAERN O=C(CCF)NCc1ccncc1 899916612 582567402 /nfs/dbraw/zinc/56/74/02/582567402.db2.gz WVJRWANVMZGTLV-UHFFFAOYSA-N 0 0 182.198 1.057 10 0 ADAERN C/C=C/[C@@H](O)C(=O)NC(CC)CC 899930842 582567403 /nfs/dbraw/zinc/56/74/03/582567403.db2.gz ZAPIYLIKCDWTCM-ILFKPUCNSA-N 0 0 185.267 1.228 10 0 ADAERN O=C(CCF)Nc1cccnc1 899914607 582567405 /nfs/dbraw/zinc/56/74/05/582567405.db2.gz BFTBRFVYHQGDBJ-UHFFFAOYSA-N 0 0 168.171 1.380 10 0 ADAERN CCC/C=C\[C@H](O)C(=O)NCC(C)C 899925017 582567416 /nfs/dbraw/zinc/56/74/16/582567416.db2.gz DUPIIPPPVGXASI-GFVADAIESA-N 0 0 199.294 1.476 10 0 ADAERN CC(C)CNC(=O)CCF 899925793 582567417 /nfs/dbraw/zinc/56/74/17/582567417.db2.gz MPKZTYHJMKFOQO-UHFFFAOYSA-N 0 0 147.193 1.118 10 0 ADAERN O=C(CCF)NCCc1ccco1 899972118 582567521 /nfs/dbraw/zinc/56/75/21/582567521.db2.gz LPOVQDNQYIFKJK-UHFFFAOYSA-N 0 0 185.198 1.298 10 0 ADAERN C/C=C/[C@H](O)C(=O)N1CCCC[C@@H]1C 899938185 582567532 /nfs/dbraw/zinc/56/75/32/582567532.db2.gz WOBVCEAEVHKLOJ-YEXVBOHQSA-N 0 0 197.278 1.324 10 0 ADAERN Cc1ccc(NC(=O)CCF)c(O)c1 899943000 582567539 /nfs/dbraw/zinc/56/75/39/582567539.db2.gz VLVWSGPLYYIJDU-UHFFFAOYSA-N 0 0 197.209 1.999 10 0 ADAERN C/C=C\[C@@H](O)C(=O)N(CC)CCCC 899937304 582567606 /nfs/dbraw/zinc/56/76/06/582567606.db2.gz OGFQJZBQMSCYRC-DAGBOUIGSA-N 0 0 199.294 1.572 10 0 ADAERN C/C=C\[C@H](O)C(=O)N(CC)CCCC 899937305 582567617 /nfs/dbraw/zinc/56/76/17/582567617.db2.gz OGFQJZBQMSCYRC-NVDWLVSRSA-N 0 0 199.294 1.572 10 0 ADAERN C[C@H](NC(=O)c1n[nH]cc1F)C1CC1 899982284 582567626 /nfs/dbraw/zinc/56/76/26/582567626.db2.gz IJNOCFQXFUHURM-YFKPBYRVSA-N 0 0 197.213 1.077 10 0 ADAERN C/C=C\[C@@H](O)C(=O)N1CCC(C)CC1 899933816 582567640 /nfs/dbraw/zinc/56/76/40/582567640.db2.gz WEEDRMMYRPTERN-UMBAGQNISA-N 0 0 197.278 1.182 10 0 ADAERN C/C=C\[C@H](O)C(=O)N1CCC(C)CC1 899933817 582567630 /nfs/dbraw/zinc/56/76/30/582567630.db2.gz WEEDRMMYRPTERN-XOULXFPDSA-N 0 0 197.278 1.182 10 0 ADAERN CN(Cc1cccnc1)C(=O)CCF 899957340 582567656 /nfs/dbraw/zinc/56/76/56/582567656.db2.gz KUDDTVILFADTGR-UHFFFAOYSA-N 0 0 196.225 1.400 10 0 ADAERN CC1CCN(C(=O)CCF)CC1 899933310 582567673 /nfs/dbraw/zinc/56/76/73/582567673.db2.gz LRTNVBKWSPGCMQ-UHFFFAOYSA-N 0 0 173.231 1.605 10 0 ADAERN O=C(CCF)NCc1cccs1 899946203 582567702 /nfs/dbraw/zinc/56/77/02/582567702.db2.gz WBCWQKZFLCWPEN-UHFFFAOYSA-N 0 0 187.239 1.724 10 0 ADAERN C/C=C/[C@H](O)C(=O)N1CCCC[C@H]1C 899938183 582567704 /nfs/dbraw/zinc/56/77/04/582567704.db2.gz WOBVCEAEVHKLOJ-OJKCRXNLSA-N 0 0 197.278 1.324 10 0 ADAERN C[C@@H]1CCCCN1C(=O)CCF 899938273 582567781 /nfs/dbraw/zinc/56/77/81/582567781.db2.gz ZLPZCYDVBSJQKZ-MRVPVSSYSA-N 0 0 173.231 1.747 10 0 ADAERN CN(Cc1ccco1)C(=O)CCF 899962798 582567786 /nfs/dbraw/zinc/56/77/86/582567786.db2.gz XFFGACBWJPVNDY-UHFFFAOYSA-N 0 0 185.198 1.598 10 0 ADAERN C/C=C/[C@H](O)C(=O)N1CCC(C)CC1 899933814 582567794 /nfs/dbraw/zinc/56/77/94/582567794.db2.gz WEEDRMMYRPTERN-FSIBCCDJSA-N 0 0 197.278 1.182 10 0 ADAERN C/C=C\[C@H](O)C(=O)N1CCCC[C@H]1C 899938184 582567824 /nfs/dbraw/zinc/56/78/24/582567824.db2.gz WOBVCEAEVHKLOJ-WXYRRYSDSA-N 0 0 197.278 1.324 10 0 ADAERN CCNC(=O)c1c(Cl)n[nH]c1C 899922370 582568037 /nfs/dbraw/zinc/56/80/37/582568037.db2.gz QSUMRORDWCBADS-UHFFFAOYSA-N 0 0 187.630 1.121 10 0 ADAERN C/C=C/[C@@H](O)C(=O)N(CC)CCCC 899937306 582568043 /nfs/dbraw/zinc/56/80/43/582568043.db2.gz OGFQJZBQMSCYRC-VHODGJRUSA-N 0 0 199.294 1.572 10 0 ADAERN C[C@H](NC(=O)CCF)c1cccnc1 899981515 582568055 /nfs/dbraw/zinc/56/80/55/582568055.db2.gz SSNQGZZCINDOEA-QMMMGPOBSA-N 0 0 196.225 1.618 10 0 ADAERN C[C@H](NC(=O)CCF)c1ccccn1 899962797 582568067 /nfs/dbraw/zinc/56/80/67/582568067.db2.gz XENAWBJRLXDDFC-QMMMGPOBSA-N 0 0 196.225 1.618 10 0 ADAERN C[C@H](NC(=O)CCF)C1CC1 899982504 582568070 /nfs/dbraw/zinc/56/80/70/582568070.db2.gz MGXWCXXHOCJKDE-LURJTMIESA-N 0 0 159.204 1.261 10 0 ADAERN CCCN(CC1CC1)C(=O)CCF 899937499 582568087 /nfs/dbraw/zinc/56/80/87/582568087.db2.gz MJHQNHPKOQEMSB-UHFFFAOYSA-N 0 0 187.258 1.995 10 0 ADAERN Cc1ccccc1CNC(=O)CCF 899974652 582568093 /nfs/dbraw/zinc/56/80/93/582568093.db2.gz AQKXGTXNYAYMOQ-UHFFFAOYSA-N 0 0 195.237 1.971 10 0 ADAERN Cc1ccc(CNC(=O)CCF)cc1 899941761 582568110 /nfs/dbraw/zinc/56/81/10/582568110.db2.gz HWFJSHPGKPEKQG-UHFFFAOYSA-N 0 0 195.237 1.971 10 0 ADAERN C/C=C/[C@H](O)C(=O)N(CC)CCCC 899937307 582568136 /nfs/dbraw/zinc/56/81/36/582568136.db2.gz OGFQJZBQMSCYRC-YVFTVSHDSA-N 0 0 199.294 1.572 10 0 ADAERN CCCCN(CC)C(=O)CCF 899937958 582568152 /nfs/dbraw/zinc/56/81/52/582568152.db2.gz UVUDRQBATOULPX-UHFFFAOYSA-N 0 0 175.247 1.995 10 0 ADAERN C[C@@H](NC(=O)CCF)c1cccnc1 899981514 582568162 /nfs/dbraw/zinc/56/81/62/582568162.db2.gz SSNQGZZCINDOEA-MRVPVSSYSA-N 0 0 196.225 1.618 10 0 ADAERN C[C@H]1CCCCN1C(=O)CCF 899938274 582568172 /nfs/dbraw/zinc/56/81/72/582568172.db2.gz ZLPZCYDVBSJQKZ-QMMMGPOBSA-N 0 0 173.231 1.747 10 0 ADAERN CC(C)OCCCNC(=O)CCF 899942349 582568174 /nfs/dbraw/zinc/56/81/74/582568174.db2.gz LZNBRRUNOQRAEQ-UHFFFAOYSA-N 0 0 191.246 1.277 10 0 ADAERN 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CO[C@H](C)S[C@@H]1CCO[C@H]1C 901525947 582587526 /nfs/dbraw/zinc/58/75/26/582587526.db2.gz BJQHJYIIVNHBKU-BIIVOSGPSA-N 0 0 176.281 1.889 10 0 ADAERN CCc1nccn1CC(=O)[C@@H]1C[C@@H]1C 901531377 582587528 /nfs/dbraw/zinc/58/75/28/582587528.db2.gz YFEHJQBOBRPUPJ-DTWKUNHWSA-N 0 0 192.262 1.671 10 0 ADAERN CCc1nccn1CC(=O)[C@H]1C[C@H]1C 901531375 582587548 /nfs/dbraw/zinc/58/75/48/582587548.db2.gz YFEHJQBOBRPUPJ-BDAKNGLRSA-N 0 0 192.262 1.671 10 0 ADAERN CO[C@H](C)S[C@H]1CCO[C@H]1C 901525949 582587580 /nfs/dbraw/zinc/58/75/80/582587580.db2.gz BJQHJYIIVNHBKU-FXQIFTODSA-N 0 0 176.281 1.889 10 0 ADAERN CCOC(=O)CCS[C@@H](C)OC 901588567 582587919 /nfs/dbraw/zinc/58/79/19/582587919.db2.gz CDIYRJAUHXAXPH-ZETCQYMHSA-N 0 0 192.280 1.665 10 0 ADAERN CCC[N@H+](CC(=O)[O-])CC1(F)CC1 901605919 582588092 /nfs/dbraw/zinc/58/80/92/582588092.db2.gz WYYIHSYHQAUSLV-UHFFFAOYSA-N 0 0 189.230 1.285 10 0 ADAERN C[C@H]1C[C@H]1C(=O)CSc1ncco1 901545855 582588104 /nfs/dbraw/zinc/58/81/04/582588104.db2.gz 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/nfs/dbraw/zinc/58/86/91/582588691.db2.gz CSGFEQAXPICCBB-UHFFFAOYSA-N 0 0 187.289 1.775 10 0 ADAERN Fc1cc(CSC2COC2)ccn1 901630395 582588769 /nfs/dbraw/zinc/58/87/69/582588769.db2.gz JPNKULWOWAGNAL-UHFFFAOYSA-N 0 0 199.250 1.853 10 0 ADAERN CCO[C@H](C)SC1COC1 901631918 582588915 /nfs/dbraw/zinc/58/89/15/582588915.db2.gz CPBALJBZHVZAKA-LURJTMIESA-N 0 0 162.254 1.501 10 0 ADAERN CCO[C@@H](C)SC1COC1 901631919 582589027 /nfs/dbraw/zinc/58/90/27/582589027.db2.gz CPBALJBZHVZAKA-ZCFIWIBFSA-N 0 0 162.254 1.501 10 0 ADAERN CC(=O)O[C@@H](C)SC1COC1 901632434 582589094 /nfs/dbraw/zinc/58/90/94/582589094.db2.gz IEIMYHFDTSOBAE-ZCFIWIBFSA-N 0 0 176.237 1.028 10 0 ADAERN C1CC(OCSC2COC2)C1 901633177 582589115 /nfs/dbraw/zinc/58/91/15/582589115.db2.gz DODDPUVBAMYPKP-UHFFFAOYSA-N 0 0 174.265 1.645 10 0 ADAERN CC(=O)O[C@H](C)SC1COC1 901632428 582589237 /nfs/dbraw/zinc/58/92/37/582589237.db2.gz IEIMYHFDTSOBAE-LURJTMIESA-N 0 0 176.237 1.028 10 0 ADAERN c1cn(CCCSC2COC2)cn1 901641420 582589388 /nfs/dbraw/zinc/58/93/88/582589388.db2.gz CLEZVLDUCMZKEX-UHFFFAOYSA-N 0 0 198.291 1.405 10 0 ADAERN C1CO[C@H](CCSC2COC2)C1 901633572 582589595 /nfs/dbraw/zinc/58/95/95/582589595.db2.gz AQPPTKUQSKGKIA-QMMMGPOBSA-N 0 0 188.292 1.688 10 0 ADAERN CCOCCSC1COC1 901634075 582589751 /nfs/dbraw/zinc/58/97/51/582589751.db2.gz HBRNKROMIMZJND-UHFFFAOYSA-N 0 0 162.254 1.155 10 0 ADAERN Cc1nn(C)cc1CSC1COC1 901634270 582589815 /nfs/dbraw/zinc/58/98/15/582589815.db2.gz PEMBYVROFICVDT-UHFFFAOYSA-N 0 0 198.291 1.361 10 0 ADAERN CC(C)OCCSC1COC1 901634112 582589867 /nfs/dbraw/zinc/58/98/67/582589867.db2.gz IEASTMQULXDMQP-UHFFFAOYSA-N 0 0 176.281 1.543 10 0 ADAERN CC1(C(=O)CSC2COC2)CC1 901633574 582589871 /nfs/dbraw/zinc/58/98/71/582589871.db2.gz AWRDMMFONOOQFP-UHFFFAOYSA-N 0 0 186.276 1.488 10 0 ADAERN C1CO[C@@H](CCSC2COC2)C1 901633571 582589891 /nfs/dbraw/zinc/58/98/91/582589891.db2.gz AQPPTKUQSKGKIA-MRVPVSSYSA-N 0 0 188.292 1.688 10 0 ADAERN O=C([O-])CC1([NH2+]CC2CC2)CCCC1 901686315 582590839 /nfs/dbraw/zinc/59/08/39/582590839.db2.gz FIKZAGLKNUQMBF-UHFFFAOYSA-N 0 0 197.278 1.774 10 0 ADAERN CCCCOCCOc1cncnc1 901705305 582590844 /nfs/dbraw/zinc/59/08/44/582590844.db2.gz ALKBIEQYZUTDES-UHFFFAOYSA-N 0 0 196.250 1.672 10 0 ADAERN FCCCCCOc1cncnc1 901702856 582590905 /nfs/dbraw/zinc/59/09/05/582590905.db2.gz DCRPRJQGFARHIY-UHFFFAOYSA-N 0 0 184.214 1.995 10 0 ADAERN c1ncc(OC[C@H]2C[C@@H]3C[C@@H]3C2)cn1 901704874 582590932 /nfs/dbraw/zinc/59/09/32/582590932.db2.gz XQLKRPGFYDNUAY-ILWJIGKKSA-N 0 0 190.246 1.902 10 0 ADAERN FCCCOc1cncnc1 901705715 582590956 /nfs/dbraw/zinc/59/09/56/582590956.db2.gz FPWWLJXEYFWFHW-UHFFFAOYSA-N 0 0 156.160 1.215 10 0 ADAERN C1=C[C@H](Oc2cncnc2)CCC1 901705995 582591054 /nfs/dbraw/zinc/59/10/54/582591054.db2.gz HVUVIJIGWALSJL-VIFPVBQESA-N 0 0 176.219 1.964 10 0 ADAERN CC(C)OCCCOc1cncnc1 901705700 582591064 /nfs/dbraw/zinc/59/10/64/582591064.db2.gz FGOAHAGOSCFKPL-UHFFFAOYSA-N 0 0 196.250 1.671 10 0 ADAERN FC(F)(F)CCOc1cncnc1 901702858 582591074 /nfs/dbraw/zinc/59/10/74/582591074.db2.gz DEEBTAWDGIFAET-UHFFFAOYSA-N 0 0 192.140 1.808 10 0 ADAERN COCCCCOc1cncnc1 901703008 582591084 /nfs/dbraw/zinc/59/10/84/582591084.db2.gz FORVEQRENIBVMZ-UHFFFAOYSA-N 0 0 182.223 1.282 10 0 ADAERN C1=C[C@@H](Oc2cncnc2)CCC1 901705994 582591137 /nfs/dbraw/zinc/59/11/37/582591137.db2.gz HVUVIJIGWALSJL-SECBINFHSA-N 0 0 176.219 1.964 10 0 ADAERN COCCCCCOc1cncnc1 901706007 582591207 /nfs/dbraw/zinc/59/12/07/582591207.db2.gz IEADDSMNKMQVJR-UHFFFAOYSA-N 0 0 196.250 1.672 10 0 ADAERN CC[C@H]([NH2+]C1CC(C(=O)[O-])C1)C1CC1 901795296 582591742 /nfs/dbraw/zinc/59/17/42/582591742.db2.gz FKNFURBYLRJACZ-RTBKNWGFSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@H]([NH2+][C@@H](CC1CC1)C(=O)[O-])C1CC1 901790580 582591834 /nfs/dbraw/zinc/59/18/34/582591834.db2.gz RNJCEIMBMZSMIC-XVKPBYJWSA-N 0 0 197.278 1.628 10 0 ADAERN CC[C@@H]([NH2+]C1CC(C(=O)[O-])C1)C1CC1 901795297 582591856 /nfs/dbraw/zinc/59/18/56/582591856.db2.gz FKNFURBYLRJACZ-UDNWOFFPSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@H]([NH2+][C@H](CC1CC1)C(=O)[O-])C1CC1 901790578 582591902 /nfs/dbraw/zinc/59/19/02/582591902.db2.gz RNJCEIMBMZSMIC-OIBJUYFYSA-N 0 0 197.278 1.628 10 0 ADAERN CC[C@H]([NH2+][C@H]1C[C@H](C(=O)[O-])C1)C1CC1 901709010 582591916 /nfs/dbraw/zinc/59/19/16/582591916.db2.gz FKNFURBYLRJACZ-GUBZILKMSA-N 0 0 197.278 1.628 10 0 ADAERN COCC(COC)SCCCF 901774258 582591926 /nfs/dbraw/zinc/59/19/26/582591926.db2.gz BMSNFVAIIOQZEV-UHFFFAOYSA-N 0 0 196.287 1.741 10 0 ADAERN CC[C@@H]([NH2+][C@H]1C[C@H](C(=O)[O-])C1)C1CC1 901709011 582591930 /nfs/dbraw/zinc/59/19/30/582591930.db2.gz FKNFURBYLRJACZ-OPRDCNLKSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@@H]([NH2+][C@@H](CC1CC1)C(=O)[O-])C1CC1 901790579 582591949 /nfs/dbraw/zinc/59/19/49/582591949.db2.gz RNJCEIMBMZSMIC-XCBNKYQSSA-N 0 0 197.278 1.628 10 0 ADAERN CCOCCOCCSCC 901756264 582592011 /nfs/dbraw/zinc/59/20/11/582592011.db2.gz BUJSEVKGLQXLLE-UHFFFAOYSA-N 0 0 178.297 1.793 10 0 ADAERN C[C@@H]([NH2+][C@H](CC1CC1)C(=O)[O-])C1CC1 901790577 582592064 /nfs/dbraw/zinc/59/20/64/582592064.db2.gz RNJCEIMBMZSMIC-GMSGAONNSA-N 0 0 197.278 1.628 10 0 ADAERN CCC(CC)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-] 902054820 582593091 /nfs/dbraw/zinc/59/30/91/582593091.db2.gz AZFPFMGEIKVXLZ-SZEHBUNVSA-N 0 0 199.294 1.874 10 0 ADAERN CC(C)C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-] 902055259 582593104 /nfs/dbraw/zinc/59/31/04/582593104.db2.gz FNLWHEAIPUJOQG-IWSPIJDZSA-N 0 0 185.267 1.341 10 0 ADAERN CC(C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-] 902055254 582593282 /nfs/dbraw/zinc/59/32/82/582593282.db2.gz FNLWHEAIPUJOQG-HLTSFMKQSA-N 0 0 185.267 1.341 10 0 ADAERN CC(C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] 902055261 582593290 /nfs/dbraw/zinc/59/32/90/582593290.db2.gz FNLWHEAIPUJOQG-VGMNWLOBSA-N 0 0 185.267 1.341 10 0 ADAERN CCC(CC)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-] 902054819 582593294 /nfs/dbraw/zinc/59/32/94/582593294.db2.gz AZFPFMGEIKVXLZ-QNSHHTMESA-N 0 0 199.294 1.874 10 0 ADAERN CCC(CC)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-] 902054817 582593376 /nfs/dbraw/zinc/59/33/76/582593376.db2.gz AZFPFMGEIKVXLZ-FKTZTGRPSA-N 0 0 199.294 1.874 10 0 ADAERN CCC(CC)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] 902054818 582593522 /nfs/dbraw/zinc/59/35/22/582593522.db2.gz AZFPFMGEIKVXLZ-JEZHCXPESA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@@H]1C[C@H]1CNc1cc(OC)n[nH]1 902103251 582593648 /nfs/dbraw/zinc/59/36/48/582593648.db2.gz LXNRVGCXHFTGDN-SFYZADRCSA-N 0 0 195.266 1.876 10 0 ADAERN C=CC=CCCNc1cc(OC)n[nH]1 902104032 582593666 /nfs/dbraw/zinc/59/36/66/582593666.db2.gz WNZPGXUROGYJSG-PLNGDYQASA-N 0 0 193.250 1.963 10 0 ADAERN CC(C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-] 902055256 582593669 /nfs/dbraw/zinc/59/36/69/582593669.db2.gz FNLWHEAIPUJOQG-HRDYMLBCSA-N 0 0 185.267 1.341 10 0 ADAERN C=CC=CCCNc1cc(OC)n[nH]1 902104033 582593924 /nfs/dbraw/zinc/59/39/24/582593924.db2.gz WNZPGXUROGYJSG-SNAWJCMRSA-N 0 0 193.250 1.963 10 0 ADAERN Cc1cc(NCC2(F)CC2)ncn1 902194573 582594019 /nfs/dbraw/zinc/59/40/19/582594019.db2.gz HKQQSKJYWDKJBC-UHFFFAOYSA-N 0 0 181.214 1.699 10 0 ADAERN C[C@@H]1C[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)[O-] 902145006 582594033 /nfs/dbraw/zinc/59/40/33/582594033.db2.gz MKBHUNIBJIWCIS-IGORNWKESA-N 0 0 197.278 1.341 10 0 ADAERN COc1cc(NCC2(F)CC2)ncn1 902182395 582594053 /nfs/dbraw/zinc/59/40/53/582594053.db2.gz QUHYIBVYEJTDOG-UHFFFAOYSA-N 0 0 197.213 1.399 10 0 ADAERN C[C@@H]1C[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)[O-] 902145008 582594062 /nfs/dbraw/zinc/59/40/62/582594062.db2.gz MKBHUNIBJIWCIS-VVULQXIFSA-N 0 0 197.278 1.341 10 0 ADAERN OCCSC[C@H]1C[C@@]12CCOC2 902202164 582594109 /nfs/dbraw/zinc/59/41/09/582594109.db2.gz FCLLLNLKYNLPAN-RKDXNWHRSA-N 0 0 188.292 1.139 10 0 ADAERN C[C@@H]1C[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] 902145007 582594154 /nfs/dbraw/zinc/59/41/54/582594154.db2.gz MKBHUNIBJIWCIS-VFCFLDTKSA-N 0 0 197.278 1.341 10 0 ADAERN OCCSC[C@H]1C[C@]12CCOC2 902202161 582594226 /nfs/dbraw/zinc/59/42/26/582594226.db2.gz FCLLLNLKYNLPAN-BDAKNGLRSA-N 0 0 188.292 1.139 10 0 ADAERN CNc1ccccc1[C@H]1CCC(=O)N1 902115653 582594242 /nfs/dbraw/zinc/59/42/42/582594242.db2.gz DTTLOQAFECWNGI-SNVBAGLBSA-N 0 0 190.246 1.679 10 0 ADAERN Cn1cccc(NCC2(C)CC2)c1=O 902211523 582594244 /nfs/dbraw/zinc/59/42/44/582594244.db2.gz WHGLTHKZJNTOQN-UHFFFAOYSA-N 0 0 192.262 1.597 10 0 ADAERN C[C@@H]1C[C@H]1[NH2+]C1CC(C)(C(=O)[O-])C1 902135569 582594253 /nfs/dbraw/zinc/59/42/53/582594253.db2.gz GBZSAHCKBRGBSG-HHMRDVHBSA-N 0 0 183.251 1.238 10 0 ADAERN CC[C@@H]1C[C@H]1COc1cccc[n+]1[O-] 902175063 582594285 /nfs/dbraw/zinc/59/42/85/582594285.db2.gz FTNJZDNLZXKWRT-ZJUUUORDSA-N 0 0 193.246 1.745 10 0 ADAERN Cn1cccc(NCC2(F)CC2)c1=O 902211639 582594315 /nfs/dbraw/zinc/59/43/15/582594315.db2.gz ZTSKNIOSBCZRNF-UHFFFAOYSA-N 0 0 196.225 1.299 10 0 ADAERN OCCSC[C@@H]1C[C@]12CCOC2 902202163 582594368 /nfs/dbraw/zinc/59/43/68/582594368.db2.gz FCLLLNLKYNLPAN-IUCAKERBSA-N 0 0 188.292 1.139 10 0 ADAERN CNc1cn(C)nc1C1CC1 902211798 582594382 /nfs/dbraw/zinc/59/43/82/582594382.db2.gz XCNZFYGZVUKUHV-UHFFFAOYSA-N 0 0 151.213 1.339 10 0 ADAERN Cc1nccc(NCC2(F)CC2)n1 902124765 582594469 /nfs/dbraw/zinc/59/44/69/582594469.db2.gz KLQWXIVITMKJPV-UHFFFAOYSA-N 0 0 181.214 1.699 10 0 ADAERN OCCSC[C@@H]1C[C@@]12CCOC2 902202162 582594538 /nfs/dbraw/zinc/59/45/38/582594538.db2.gz FCLLLNLKYNLPAN-DTWKUNHWSA-N 0 0 188.292 1.139 10 0 ADAERN CNc1ccccc1[C@@H]1CCC(=O)N1 902115652 582594655 /nfs/dbraw/zinc/59/46/55/582594655.db2.gz DTTLOQAFECWNGI-JTQLQIEISA-N 0 0 190.246 1.679 10 0 ADAERN CNc1cccc2c1N(C)C(=O)CO2 902137787 582594704 /nfs/dbraw/zinc/59/47/04/582594704.db2.gz DONXMFZGSBLIIJ-UHFFFAOYSA-N 0 0 192.218 1.084 10 0 ADAERN C[C@@H]1C[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)[O-] 902145005 582594709 /nfs/dbraw/zinc/59/47/09/582594709.db2.gz MKBHUNIBJIWCIS-GRDBIXFFSA-N 0 0 197.278 1.341 10 0 ADAERN c1cnn(C[C@H]2C[C@@]23CCOC3)c1 902265493 582594873 /nfs/dbraw/zinc/59/48/73/582594873.db2.gz YXAFXWVOVWWWEX-NXEZZACHSA-N 0 0 178.235 1.310 10 0 ADAERN CC1(C(=O)[O-])CC([NH2+][C@H]2CC23CC3)C1 902272716 582594890 /nfs/dbraw/zinc/59/48/90/582594890.db2.gz HRBCONTUUZXFQZ-ZCUBBSJVSA-N 0 0 195.262 1.382 10 0 ADAERN CCCCSCCn1cnnn1 902295914 582594910 /nfs/dbraw/zinc/59/49/10/582594910.db2.gz GWHDGIBHMINDJB-UHFFFAOYSA-N 0 0 186.284 1.206 10 0 ADAERN CCCS[C@H]1CCN(OC)C1=O 902296593 582594919 /nfs/dbraw/zinc/59/49/19/582594919.db2.gz LWMNVOADAUIIEI-ZETCQYMHSA-N 0 0 189.280 1.292 10 0 ADAERN CSC[C@H]1C[C@]12CCOC2 902297495 582594928 /nfs/dbraw/zinc/59/49/28/582594928.db2.gz MRYSMJZDUCBKEL-SFYZADRCSA-N 0 0 158.266 1.776 10 0 ADAERN CSC[C@@H]1C[C@@]12CCOC2 902297492 582595094 /nfs/dbraw/zinc/59/50/94/582595094.db2.gz MRYSMJZDUCBKEL-JGVFFNPUSA-N 0 0 158.266 1.776 10 0 ADAERN C/C=C\C[NH2+]C1CC(C)(C(=O)[O-])C1 902269588 582595111 /nfs/dbraw/zinc/59/51/11/582595111.db2.gz LLSWQHOIEZENKO-ARJAWSKDSA-N 0 0 183.251 1.405 10 0 ADAERN CC1(C(=O)[O-])CC([NH2+][C@@H]2CC23CC3)C1 902272714 582595154 /nfs/dbraw/zinc/59/51/54/582595154.db2.gz HRBCONTUUZXFQZ-CCNFQMFXSA-N 0 0 195.262 1.382 10 0 ADAERN C/C=C/C[NH2+]C1CC(C)(C(=O)[O-])C1 902269589 582595204 /nfs/dbraw/zinc/59/52/04/582595204.db2.gz LLSWQHOIEZENKO-ONEGZZNKSA-N 0 0 183.251 1.405 10 0 ADAERN CCCS[C@@H]1CCN(OC)C1=O 902296592 582595254 /nfs/dbraw/zinc/59/52/54/582595254.db2.gz LWMNVOADAUIIEI-SSDOTTSWSA-N 0 0 189.280 1.292 10 0 ADAERN CSC[C@@H]1C[C@]12CCOC2 902297499 582595390 /nfs/dbraw/zinc/59/53/90/582595390.db2.gz MRYSMJZDUCBKEL-YUMQZZPRSA-N 0 0 158.266 1.776 10 0 ADAERN c1cnn(C[C@@H]2C[C@@]23CCOC3)c1 902265495 582595460 /nfs/dbraw/zinc/59/54/60/582595460.db2.gz YXAFXWVOVWWWEX-VHSXEESVSA-N 0 0 178.235 1.310 10 0 ADAERN c1cnn(C[C@@H]2C[C@]23CCOC3)c1 902265494 582595528 /nfs/dbraw/zinc/59/55/28/582595528.db2.gz YXAFXWVOVWWWEX-UWVGGRQHSA-N 0 0 178.235 1.310 10 0 ADAERN c1cnn(C[C@H]2C[C@]23CCOC3)c1 902265496 582595532 /nfs/dbraw/zinc/59/55/32/582595532.db2.gz YXAFXWVOVWWWEX-ZJUUUORDSA-N 0 0 178.235 1.310 10 0 ADAERN CSC[C@H]1C[C@@]12CCOC2 902297491 582595543 /nfs/dbraw/zinc/59/55/43/582595543.db2.gz MRYSMJZDUCBKEL-HTQZYQBOSA-N 0 0 158.266 1.776 10 0 ADAERN CON1CC[C@H](SC(C)C)C1=O 902314181 582596022 /nfs/dbraw/zinc/59/60/22/582596022.db2.gz YIIHLFOVSMBSLT-ZETCQYMHSA-N 0 0 189.280 1.290 10 0 ADAERN CSCC[S@@](=O)C(F)(F)F 902299424 582596023 /nfs/dbraw/zinc/59/60/23/582596023.db2.gz YPGREYHWJGLVAE-SNVBAGLBSA-N 0 0 192.227 1.618 10 0 ADAERN CSCC[S@](=O)C(F)(F)F 902299423 582596372 /nfs/dbraw/zinc/59/63/72/582596372.db2.gz YPGREYHWJGLVAE-JTQLQIEISA-N 0 0 192.227 1.618 10 0 ADAERN CON1CC[C@@H](SC(C)C)C1=O 902314180 582596387 /nfs/dbraw/zinc/59/63/87/582596387.db2.gz YIIHLFOVSMBSLT-SSDOTTSWSA-N 0 0 189.280 1.290 10 0 ADAERN CCSCc1n[nH]cc1C 902299420 582596486 /nfs/dbraw/zinc/59/64/86/582596486.db2.gz YOGYVTGHDJBBKR-UHFFFAOYSA-N 0 0 156.254 1.971 10 0 ADAERN CSCc1n[nH]cc1C 902299388 582596550 /nfs/dbraw/zinc/59/65/50/582596550.db2.gz XUSOECJAAHOXHV-UHFFFAOYSA-N 0 0 142.227 1.581 10 0 ADAERN O=C1OCCN1CN(C1CC1)C1CC1 902332310 582596823 /nfs/dbraw/zinc/59/68/23/582596823.db2.gz 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/nfs/dbraw/zinc/60/45/04/582604504.db2.gz UDWAITIUIUQIHO-MNOVXSKESA-N 0 0 192.262 1.748 10 0 ADAERN CC[C@@H]1C[C@H]1Cn1c(=O)ccn1C 902424052 582604508 /nfs/dbraw/zinc/60/45/08/582604508.db2.gz RAINNGXPUZOMRI-BDAKNGLRSA-N 0 0 180.251 1.233 10 0 ADAERN CC[C@@H]1C[C@H]1COc1ccnnc1 902427581 582604794 /nfs/dbraw/zinc/60/47/94/582604794.db2.gz OEQHHPXEIKNGCB-BDAKNGLRSA-N 0 0 178.235 1.902 10 0 ADAERN Cc1cn(C[C@H]2C[C@@]23CCOC3)nn1 902438640 582604895 /nfs/dbraw/zinc/60/48/95/582604895.db2.gz GXLPHHDGLCVFFF-NXEZZACHSA-N 0 0 193.250 1.013 10 0 ADAERN Cc1ncn(C[C@H]2C[C@@]23CCOC3)n1 902433862 582605074 /nfs/dbraw/zinc/60/50/74/582605074.db2.gz BXVPXHOUYPDZEW-NXEZZACHSA-N 0 0 193.250 1.013 10 0 ADAERN Cc1ncn(C[C@@H]2C[C@]23CCOC3)n1 902433863 582605280 /nfs/dbraw/zinc/60/52/80/582605280.db2.gz BXVPXHOUYPDZEW-UWVGGRQHSA-N 0 0 193.250 1.013 10 0 ADAERN Cc1cn(C[C@@H]2C[C@@]23CCOC3)nn1 902438642 582605316 /nfs/dbraw/zinc/60/53/16/582605316.db2.gz GXLPHHDGLCVFFF-VHSXEESVSA-N 0 0 193.250 1.013 10 0 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902475074 582606831 /nfs/dbraw/zinc/60/68/31/582606831.db2.gz JYJGGVSKGKYGTG-APPZFPTMSA-N 0 0 198.266 1.320 10 0 ADAERN C=C/C=C\CCS[C@H]1CCNC1=O 902450673 582606843 /nfs/dbraw/zinc/60/68/43/582606843.db2.gz MTWMHXCLJSHHNB-TYRPZCRBSA-N 0 0 197.303 1.740 10 0 ADAERN CO[C@H]1C[C@@H](COCc2cn[nH]c2)C1 902588432 582610115 /nfs/dbraw/zinc/61/01/15/582610115.db2.gz LNZQSHCMUIYLQO-WAAGHKOSSA-N 0 0 196.250 1.351 10 0 ADAERN CCCn1ccc2cccnc2c1=O 902507234 582608158 /nfs/dbraw/zinc/60/81/58/582608158.db2.gz JTXRKSCOQFUZFP-UHFFFAOYSA-N 0 0 188.230 1.807 10 0 ADAERN CCn1cc2c(n1)C(=O)CCC2 902553069 582609279 /nfs/dbraw/zinc/60/92/79/582609279.db2.gz FJAONNUQGQXFKC-UHFFFAOYSA-N 0 0 164.208 1.422 10 0 ADAERN CC(C)n1cc2c(n1)C(=O)CCC2 902554247 582609365 /nfs/dbraw/zinc/60/93/65/582609365.db2.gz SYFXIOLJELFIMF-UHFFFAOYSA-N 0 0 178.235 1.983 10 0 ADAERN O=C1CCCc2cn(CC3CC3)nc21 902553382 582609416 /nfs/dbraw/zinc/60/94/16/582609416.db2.gz LFMJIKLDLCZGHT-UHFFFAOYSA-N 0 0 190.246 1.812 10 0 ADAERN CC[C@@H]1C[C@H]1COCc1cn[nH]c1 902589564 582609609 /nfs/dbraw/zinc/60/96/09/582609609.db2.gz XLXQZOGUIDWINJ-ZJUUUORDSA-N 0 0 180.251 1.972 10 0 ADAERN CC(C)COCc1cn[nH]c1 902588281 582609774 /nfs/dbraw/zinc/60/97/74/582609774.db2.gz KDSNOPAMMUHUSC-UHFFFAOYSA-N 0 0 154.213 1.582 10 0 ADAERN CCc1c(C)on(C[C@H](C)OC)c1=O 902578916 582609785 /nfs/dbraw/zinc/60/97/85/582609785.db2.gz DYDFJBFGWHPXOB-ZETCQYMHSA-N 0 0 199.250 1.347 10 0 ADAERN C[C@@H]1OCC[C@H]1COCc1cn[nH]c1 902587867 582609796 /nfs/dbraw/zinc/60/97/96/582609796.db2.gz DJIVPJJDDOLLOQ-WPRPVWTQSA-N 0 0 196.250 1.351 10 0 ADAERN c1n[nH]cc1COC[C@H]1CCCOC1 902588883 582609760 /nfs/dbraw/zinc/60/97/60/582609760.db2.gz UIORTPFTEKJUGU-VIFPVBQESA-N 0 0 196.250 1.353 10 0 ADAERN CSCCOCc1cn[nH]c1 902584498 582609811 /nfs/dbraw/zinc/60/98/11/582609811.db2.gz PASVWTHSCBWNDG-UHFFFAOYSA-N 0 0 172.253 1.289 10 0 ADAERN C[C@H]1OCC[C@H]1COCc1cn[nH]c1 902587864 582609846 /nfs/dbraw/zinc/60/98/46/582609846.db2.gz DJIVPJJDDOLLOQ-SCZZXKLOSA-N 0 0 196.250 1.351 10 0 ADAERN c1cc(COCc2cn[nH]c2)no1 902588053 582609864 /nfs/dbraw/zinc/60/98/64/582609864.db2.gz HCRCQWFRMZGJAK-UHFFFAOYSA-N 0 0 179.179 1.115 10 0 ADAERN COC(C)(C)CCOCc1cn[nH]c1 902587721 582609901 /nfs/dbraw/zinc/60/99/01/582609901.db2.gz BEVSTCMFYVVTMG-UHFFFAOYSA-N 0 0 198.266 1.741 10 0 ADAERN c1n[nH]cc1COCC[C@H]1CCCO1 902588494 582609909 /nfs/dbraw/zinc/60/99/09/582609909.db2.gz OWOKLJWXVSGMOU-SNVBAGLBSA-N 0 0 196.250 1.495 10 0 ADAERN CC(C)(O)CCOCc1cn[nH]c1 902588156 582609914 /nfs/dbraw/zinc/60/99/14/582609914.db2.gz JAAFKZZFIHCTNC-UHFFFAOYSA-N 0 0 184.239 1.087 10 0 ADAERN c1n[nH]cc1COC[C@@H]1CCCOC1 902588882 582609941 /nfs/dbraw/zinc/60/99/41/582609941.db2.gz UIORTPFTEKJUGU-SECBINFHSA-N 0 0 196.250 1.353 10 0 ADAERN C1=CCC(COCc2cn[nH]c2)C1 902587879 582609960 /nfs/dbraw/zinc/60/99/60/582609960.db2.gz DPNMVRMFZIOXKO-UHFFFAOYSA-N 0 0 178.235 1.893 10 0 ADAERN CCSCCOCc1cn[nH]c1 902587743 582610032 /nfs/dbraw/zinc/61/00/32/582610032.db2.gz BNXPEOJWFIVQGR-UHFFFAOYSA-N 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172.203 1.676 10 0 ADAERN COCCCCCOCc1cn[nH]c1 902588860 582610063 /nfs/dbraw/zinc/61/00/63/582610063.db2.gz SXRRCLFQQJTBHR-UHFFFAOYSA-N 0 0 198.266 1.743 10 0 ADAERN Cc1conc1COCc1cn[nH]c1 902587716 582610070 /nfs/dbraw/zinc/61/00/70/582610070.db2.gz BNCPYMNDVQYVMB-UHFFFAOYSA-N 0 0 193.206 1.423 10 0 ADAERN c1n[nH]cc1COCC1CCC1 902588039 582610076 /nfs/dbraw/zinc/61/00/76/582610076.db2.gz GSNXNKUODIEZGH-UHFFFAOYSA-N 0 0 166.224 1.726 10 0 ADAERN c1n[nH]cc1COC[C@H]1C[C@@H]2C[C@@H]2C1 902588181 582610078 /nfs/dbraw/zinc/61/00/78/582610078.db2.gz HCHGWBXEIVQIMS-GUDFOSOFSA-N 0 0 192.262 1.972 10 0 ADAERN CCc1c(C)on(CC2CC2)c1=O 902581159 582610084 /nfs/dbraw/zinc/61/00/84/582610084.db2.gz DQMXNIZMBGVHJW-UHFFFAOYSA-N 0 0 181.235 1.722 10 0 ADAERN c1csc(COCc2cn[nH]c2)n1 902588250 582610093 /nfs/dbraw/zinc/61/00/93/582610093.db2.gz JBYCSTYHDULSJM-UHFFFAOYSA-N 0 0 195.247 1.583 10 0 ADAERN CCOCCn1oc(C)c(CC)c1=O 902578922 582610099 /nfs/dbraw/zinc/61/00/99/582610099.db2.gz DZQFVBPZDAPBLJ-UHFFFAOYSA-N 0 0 199.250 1.349 10 0 ADAERN CC[C@H](COCc1cn[nH]c1)OC 902588161 582610104 /nfs/dbraw/zinc/61/01/04/582610104.db2.gz GKSAWAMVQVYWAT-SECBINFHSA-N 0 0 184.239 1.351 10 0 ADAERN CC(C)OCCOCc1cn[nH]c1 902588468 582610127 /nfs/dbraw/zinc/61/01/27/582610127.db2.gz NPNDGQDYDBSIGW-UHFFFAOYSA-N 0 0 184.239 1.351 10 0 ADAERN CCc1c(C)on(CCCOC)c1=O 902580708 582610142 /nfs/dbraw/zinc/61/01/42/582610142.db2.gz AQUACLUYAYFRNW-UHFFFAOYSA-N 0 0 199.250 1.349 10 0 ADAERN COCCCCOCc1cn[nH]c1 902587684 582610166 /nfs/dbraw/zinc/61/01/66/582610166.db2.gz BAILJUXKIPNEIE-UHFFFAOYSA-N 0 0 184.239 1.353 10 0 ADAERN CC(C)(C)OCCOCc1cn[nH]c1 902587817 582610193 /nfs/dbraw/zinc/61/01/93/582610193.db2.gz DMVVACZSJWHEAL-UHFFFAOYSA-N 0 0 198.266 1.741 10 0 ADAERN C[C@H]1OCC[C@@H]1COCc1cn[nH]c1 902587862 582610205 /nfs/dbraw/zinc/61/02/05/582610205.db2.gz DJIVPJJDDOLLOQ-PSASIEDQSA-N 0 0 196.250 1.351 10 0 ADAERN OC1(CCOCc2cn[nH]c2)CCC1 902588606 582610218 /nfs/dbraw/zinc/61/02/18/582610218.db2.gz NIYYNOMVFVNDMC-UHFFFAOYSA-N 0 0 196.250 1.231 10 0 ADAERN Cc1ncc(COCc2cn[nH]c2)o1 902587720 582610222 /nfs/dbraw/zinc/61/02/22/582610222.db2.gz BRIZDJBJPXLOCA-UHFFFAOYSA-N 0 0 193.206 1.423 10 0 ADAERN CC[C@@H]1C[C@H]1CS[C@@H]1CCNC1=O 902580929 582610229 /nfs/dbraw/zinc/61/02/29/582610229.db2.gz XLXJLHWGJRMNNB-HRDYMLBCSA-N 0 0 199.319 1.654 10 0 ADAERN c1n[nH]cc1COC1CCCC1 902588313 582610230 /nfs/dbraw/zinc/61/02/30/582610230.db2.gz LDFONWIGEOXNLQ-UHFFFAOYSA-N 0 0 166.224 1.869 10 0 ADAERN c1n[nH]cc1COC[C@H]1CCCO1 902587676 582610254 /nfs/dbraw/zinc/61/02/54/582610254.db2.gz AXSGVSGDPMUFKE-SECBINFHSA-N 0 0 182.223 1.105 10 0 ADAERN c1n[nH]cc1COCC[C@@H]1CCCO1 902588493 582610256 /nfs/dbraw/zinc/61/02/56/582610256.db2.gz OWOKLJWXVSGMOU-JTQLQIEISA-N 0 0 196.250 1.495 10 0 ADAERN COC1(COCc2cn[nH]c2)CCC1 902587856 582610258 /nfs/dbraw/zinc/61/02/58/582610258.db2.gz DEIGILXDQZBNNN-UHFFFAOYSA-N 0 0 196.250 1.495 10 0 ADAERN c1cc(COCc2cn[nH]c2)on1 902584947 582610262 /nfs/dbraw/zinc/61/02/62/582610262.db2.gz UQCVUKJPILSQBQ-UHFFFAOYSA-N 0 0 179.179 1.115 10 0 ADAERN CC[C@@H]1C[C@H]1CS[C@H]1CCNC1=O 902580930 582610265 /nfs/dbraw/zinc/61/02/65/582610265.db2.gz XLXJLHWGJRMNNB-VGMNWLOBSA-N 0 0 199.319 1.654 10 0 ADAERN c1n[nH]cc1COCC1CC1 902587644 582610270 /nfs/dbraw/zinc/61/02/70/582610270.db2.gz AEIZUDUIXBXTFO-UHFFFAOYSA-N 0 0 152.197 1.336 10 0 ADAERN C[C@@H]1OCC[C@@H]1COCc1cn[nH]c1 902587866 582610274 /nfs/dbraw/zinc/61/02/74/582610274.db2.gz DJIVPJJDDOLLOQ-WCBMZHEXSA-N 0 0 196.250 1.351 10 0 ADAERN Cc1cc(COCc2cn[nH]c2)no1 902583982 582610303 /nfs/dbraw/zinc/61/03/03/582610303.db2.gz GJHYQGGLFATNMK-UHFFFAOYSA-N 0 0 193.206 1.423 10 0 ADAERN OCCCCCCOCc1cn[nH]c1 902588100 582610304 /nfs/dbraw/zinc/61/03/04/582610304.db2.gz HZERYKOXHONNPG-UHFFFAOYSA-N 0 0 198.266 1.479 10 0 ADAERN c1n[nH]cc1COCCOC1CC1 902587839 582610307 /nfs/dbraw/zinc/61/03/07/582610307.db2.gz CVMDINYRFIUHIR-UHFFFAOYSA-N 0 0 182.223 1.105 10 0 ADAERN c1n[nH]cc1COCC1CCOCC1 902588765 582610309 /nfs/dbraw/zinc/61/03/09/582610309.db2.gz RUWKFAMMEPRHKN-UHFFFAOYSA-N 0 0 196.250 1.353 10 0 ADAERN CC(C)CCOCc1cn[nH]c1 902588844 582610321 /nfs/dbraw/zinc/61/03/21/582610321.db2.gz SOTHWGBSSPHFMY-UHFFFAOYSA-N 0 0 168.240 1.972 10 0 ADAERN CCn1cnc(CN[C@@H](C)CF)c1 902575052 582610323 /nfs/dbraw/zinc/61/03/23/582610323.db2.gz USPWUJJBXPPQEB-QMMMGPOBSA-N 0 0 185.246 1.351 10 0 ADAERN CC(C)=CCOCc1cn[nH]c1 902588385 582610332 /nfs/dbraw/zinc/61/03/32/582610332.db2.gz JTUCZGBSUKNPJF-UHFFFAOYSA-N 0 0 166.224 1.893 10 0 ADAERN CCc1c(C)on(C[C@@H](C)OC)c1=O 902578911 582610335 /nfs/dbraw/zinc/61/03/35/582610335.db2.gz DYDFJBFGWHPXOB-SSDOTTSWSA-N 0 0 199.250 1.347 10 0 ADAERN CCCOc1ccc(CO)cc1CO 902623465 582610481 /nfs/dbraw/zinc/61/04/81/582610481.db2.gz PMHPQNYSGQMJMW-UHFFFAOYSA-N 0 0 196.246 1.460 10 0 ADAERN CC(C)[C@H](O)CCOCc1cn[nH]c1 902589258 582610498 /nfs/dbraw/zinc/61/04/98/582610498.db2.gz UGHLYEXOZPGLJM-SNVBAGLBSA-N 0 0 198.266 1.333 10 0 ADAERN CC[C@@H](C)COCc1cn[nH]c1 902589174 582610506 /nfs/dbraw/zinc/61/05/06/582610506.db2.gz XMYRXOPZKBPPJT-MRVPVSSYSA-N 0 0 168.240 1.972 10 0 ADAERN CCOCCCOCc1cn[nH]c1 902589220 582610519 /nfs/dbraw/zinc/61/05/19/582610519.db2.gz ZLZNJWGNQLUJCW-UHFFFAOYSA-N 0 0 184.239 1.353 10 0 ADAERN CC(C)[C@H](C)ONC(=O)N(C)C 902603148 582610569 /nfs/dbraw/zinc/61/05/69/582610569.db2.gz WDSIMNFRZOYGFU-ZETCQYMHSA-N 0 0 174.244 1.234 10 0 ADAERN CSCCCOCc1cn[nH]c1 902589192 582610596 /nfs/dbraw/zinc/61/05/96/582610596.db2.gz YHPSOSOAMFEVSJ-UHFFFAOYSA-N 0 0 186.280 1.679 10 0 ADAERN CCOc1ccc(CO)cc1CO 902620550 582610606 /nfs/dbraw/zinc/61/06/06/582610606.db2.gz QWSAKXZOFGTOHK-UHFFFAOYSA-N 0 0 182.219 1.070 10 0 ADAERN CN(C)C(=O)NOC1CC2(CCC2)C1 902602547 582610684 /nfs/dbraw/zinc/61/06/84/582610684.db2.gz QIMONTTWYJUZQH-UHFFFAOYSA-N 0 0 198.266 1.522 10 0 ADAERN c1ncc(COCc2cn[nH]c2)s1 902589346 582610735 /nfs/dbraw/zinc/61/07/35/582610735.db2.gz WKGIWJJGFMNPBY-UHFFFAOYSA-N 0 0 195.247 1.583 10 0 ADAERN CC(C)[C@@H](C)ONC(=O)N(C)C 902603132 582610776 /nfs/dbraw/zinc/61/07/76/582610776.db2.gz WDSIMNFRZOYGFU-SSDOTTSWSA-N 0 0 174.244 1.234 10 0 ADAERN c1n[nH]cc1COCCOC1CCC1 902589269 582610829 /nfs/dbraw/zinc/61/08/29/582610829.db2.gz UNAIMCMWHFOAHT-UHFFFAOYSA-N 0 0 196.250 1.495 10 0 ADAERN CC[C@@H]1C[C@H]1CN1C(=O)O[C@@H](C)C1=O 902614377 582610868 /nfs/dbraw/zinc/61/08/68/582610868.db2.gz XDMAJSISDXTELM-RNJXMRFFSA-N 0 0 197.234 1.400 10 0 ADAERN CC[C@H](C)COCc1cn[nH]c1 902589175 582610906 /nfs/dbraw/zinc/61/09/06/582610906.db2.gz XMYRXOPZKBPPJT-QMMMGPOBSA-N 0 0 168.240 1.972 10 0 ADAERN CC(C)=CCONC(=O)N(C)C 902601901 582610943 /nfs/dbraw/zinc/61/09/43/582610943.db2.gz FOOASMBTHQDFBD-UHFFFAOYSA-N 0 0 172.228 1.155 10 0 ADAERN CC[C@@H]1C[C@H]1CN1C(=O)O[C@H](C)C1=O 902614376 582610960 /nfs/dbraw/zinc/61/09/60/582610960.db2.gz XDMAJSISDXTELM-PRJMDXOYSA-N 0 0 197.234 1.400 10 0 ADAERN CN(C)C(=O)NOC[C@H]1C[C@@H]2C[C@@H]2C1 902602132 582610969 /nfs/dbraw/zinc/61/09/69/582610969.db2.gz JVGPTOYDOGFING-AYMMMOKOSA-N 0 0 198.266 1.235 10 0 ADAERN CC(C)[C@@H](O)CCOCc1cn[nH]c1 902589257 582611007 /nfs/dbraw/zinc/61/10/07/582611007.db2.gz UGHLYEXOZPGLJM-JTQLQIEISA-N 0 0 198.266 1.333 10 0 ADAERN C[C@H]([NH2+]CC1(C)CCC1)c1nnn[n-]1 687269443 1442001384 /nfs/dbraw/zinc/00/13/84/1442001384.db2.gz WJMZOAYEWGVHJE-ZETCQYMHSA-N 0 0 195.270 1.041 10 0 ADAERN Cc1cc(C)n(C)c(=O)c1Cl 902673179 582611332 /nfs/dbraw/zinc/61/13/32/582611332.db2.gz MPBAYVIIKBYPKD-UHFFFAOYSA-N 0 0 171.627 1.656 10 0 ADAERN COc1c(C(C)=O)nn(C(C)C)c1C 902676609 582611681 /nfs/dbraw/zinc/61/16/81/582611681.db2.gz QWLYEPJQOVKRMX-UHFFFAOYSA-N 0 0 196.250 1.984 10 0 ADAERN c1cc(COCc2cn[nH]c2)sn1 902768567 582613047 /nfs/dbraw/zinc/61/30/47/582613047.db2.gz RJTJBPGUQRFHPJ-UHFFFAOYSA-N 0 0 195.247 1.583 10 0 ADAERN c1cc2nncn2cc1OCC1CC1 902828516 582614553 /nfs/dbraw/zinc/61/45/53/582614553.db2.gz LMKUGZHVVXYOCO-UHFFFAOYSA-N 0 0 189.218 1.518 10 0 ADAERN CC(=O)c1cc(F)cc(OCCO)c1 902837062 582614768 /nfs/dbraw/zinc/61/47/68/582614768.db2.gz ASGMDWJGTZPSOO-UHFFFAOYSA-N 0 0 198.193 1.399 10 0 ADAERN CC(=O)c1ccc(F)c(OCCO)c1 902858464 582615295 /nfs/dbraw/zinc/61/52/95/582615295.db2.gz HSIZTTOWPWQYCN-UHFFFAOYSA-N 0 0 198.193 1.399 10 0 ADAERN CC1(C)CCC(NC(=O)CCO)CC1 902875015 582615406 /nfs/dbraw/zinc/61/54/06/582615406.db2.gz OTDFFZMSURXEEK-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN c1ncc(OC2CCC2)cn1 902904646 582616932 /nfs/dbraw/zinc/61/69/32/582616932.db2.gz IBLAJLCSIKLGRR-UHFFFAOYSA-N 0 0 150.181 1.408 10 0 ADAERN O=C(CCO)NC1CCC2(CC1)CC2 902928665 582617521 /nfs/dbraw/zinc/61/75/21/582617521.db2.gz NXRZXVJEQPTYTE-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN O=C(CCO)N[C@@H]1CC2CCC1CC2 902940076 582617852 /nfs/dbraw/zinc/61/78/52/582617852.db2.gz UCZFGOGNZLLOFR-UDNWOFFPSA-N 0 0 197.278 1.064 10 0 ADAERN O=C(CCO)NCC1(CC2CC2)CC1 902966172 582617969 /nfs/dbraw/zinc/61/79/69/582617969.db2.gz PZUNWZCUOVDHFG-UHFFFAOYSA-N 0 0 197.278 1.065 10 0 ADAERN CN(C)C(=O)NC(C)(C)/C=C\Cl 902966512 582618055 /nfs/dbraw/zinc/61/80/55/582618055.db2.gz GATYKURBNWIAGU-WAYWQWQTSA-N 0 0 190.674 1.789 10 0 ADAERN O=C(CCO)N[C@@H]1C[C@@H]2CCCC[C@@H]21 902966541 582618108 /nfs/dbraw/zinc/61/81/08/582618108.db2.gz WWEFDKPWAWEGFD-LPEHRKFASA-N 0 0 197.278 1.064 10 0 ADAERN O=C(CCO)N[C@H]1CC2CCC1CC2 902940075 582618170 /nfs/dbraw/zinc/61/81/70/582618170.db2.gz UCZFGOGNZLLOFR-RTBKNWGFSA-N 0 0 197.278 1.064 10 0 ADAERN CN(C)C(=O)NC(C)(C)/C=C/Cl 902966511 582618229 /nfs/dbraw/zinc/61/82/29/582618229.db2.gz GATYKURBNWIAGU-AATRIKPKSA-N 0 0 190.674 1.789 10 0 ADAERN CC(C)(C)C1CC(NC(=O)CCO)C1 902939844 582618245 /nfs/dbraw/zinc/61/82/45/582618245.db2.gz SDZMIBAMLJVIAQ-UHFFFAOYSA-N 0 0 199.294 1.310 10 0 ADAERN O=C(CCO)NC[C@@]12CCCC[C@@H]1C2 902968725 582618610 /nfs/dbraw/zinc/61/86/10/582618610.db2.gz SAHXETDRERGTTJ-KOLCDFICSA-N 0 0 197.278 1.065 10 0 ADAERN O=C(CCO)NC[C@]12CCCC[C@H]1C2 902968724 582618681 /nfs/dbraw/zinc/61/86/81/582618681.db2.gz SAHXETDRERGTTJ-GXSJLCMTSA-N 0 0 197.278 1.065 10 0 ADAERN O=C(CCO)NC[C@@H]1CCCC12CC2 902960251 582619038 /nfs/dbraw/zinc/61/90/38/582619038.db2.gz RMMWNDXWNBKNRA-VIFPVBQESA-N 0 0 197.278 1.065 10 0 ADAERN CCC[C@@H](C)CCNC(=O)CCO 902965175 582619198 /nfs/dbraw/zinc/61/91/98/582619198.db2.gz CVHKMWJKESNGND-SECBINFHSA-N 0 0 187.283 1.311 10 0 ADAERN O=C(CCO)NCCCCC1CC1 902962492 582619171 /nfs/dbraw/zinc/61/91/71/582619171.db2.gz YMOYNFLYCHCIGI-UHFFFAOYSA-N 0 0 185.267 1.065 10 0 ADAERN O=C(CCO)NCC1CCC=CCC1 902983503 582619208 /nfs/dbraw/zinc/61/92/08/582619208.db2.gz PYTJVAUPIGPMAU-UHFFFAOYSA-N 0 0 197.278 1.231 10 0 ADAERN C[C@H](CC1CCC1)NC(=O)CCO 902961026 582619239 /nfs/dbraw/zinc/61/92/39/582619239.db2.gz IBJCLBWBLSZEMI-MRVPVSSYSA-N 0 0 185.267 1.064 10 0 ADAERN CCC(C)(C)CCNC(=O)CCO 902960765 582619273 /nfs/dbraw/zinc/61/92/73/582619273.db2.gz DMTDNOGXWGDVCT-UHFFFAOYSA-N 0 0 187.283 1.311 10 0 ADAERN CCC[C@H](C)CCNC(=O)CCO 902965176 582619286 /nfs/dbraw/zinc/61/92/86/582619286.db2.gz CVHKMWJKESNGND-VIFPVBQESA-N 0 0 187.283 1.311 10 0 ADAERN C[C@@H](CC1CCC1)NC(=O)CCO 902961027 582619361 /nfs/dbraw/zinc/61/93/61/582619361.db2.gz IBJCLBWBLSZEMI-QMMMGPOBSA-N 0 0 185.267 1.064 10 0 ADAERN O=C(CCO)N1CCCC2(CC1)CC2 902960438 582619390 /nfs/dbraw/zinc/61/93/90/582619390.db2.gz VQTHYJZLFBKMAA-UHFFFAOYSA-N 0 0 197.278 1.162 10 0 ADAERN C=C/C=C/CCNC(=O)OC1COC1 902965197 582619442 /nfs/dbraw/zinc/61/94/42/582619442.db2.gz DNFWTSPZSNXMQF-ONEGZZNKSA-N 0 0 197.234 1.244 10 0 ADAERN O=C(CCO)NCC[C@@H]1CC=CCC1 902958480 582619448 /nfs/dbraw/zinc/61/94/48/582619448.db2.gz UDKUSJICCPAIOR-SNVBAGLBSA-N 0 0 197.278 1.231 10 0 ADAERN C=C/C=C\CCNC(=O)OC1COC1 902965196 582619485 /nfs/dbraw/zinc/61/94/85/582619485.db2.gz DNFWTSPZSNXMQF-ARJAWSKDSA-N 0 0 197.234 1.244 10 0 ADAERN O=C(CCO)NC[C@H]1CCCC12CC2 902960250 582619537 /nfs/dbraw/zinc/61/95/37/582619537.db2.gz RMMWNDXWNBKNRA-SECBINFHSA-N 0 0 197.278 1.065 10 0 ADAERN O=C(CCO)NCC[C@H]1CC=CCC1 902958478 582619541 /nfs/dbraw/zinc/61/95/41/582619541.db2.gz UDKUSJICCPAIOR-JTQLQIEISA-N 0 0 197.278 1.231 10 0 ADAERN FC(F)OCCN1CCC[C@@H](F)C1 902991171 582620208 /nfs/dbraw/zinc/62/02/08/582620208.db2.gz LCIWRFVXTALCHR-SSDOTTSWSA-N 0 0 197.200 1.660 10 0 ADAERN FC(F)OCCN1CCC[C@H](F)C1 902991187 582620502 /nfs/dbraw/zinc/62/05/02/582620502.db2.gz LCIWRFVXTALCHR-ZETCQYMHSA-N 0 0 197.200 1.660 10 0 ADAERN O=C(CCO)N1CC[C@@H]1C1CCCC1 903034410 582621001 /nfs/dbraw/zinc/62/10/01/582621001.db2.gz URFKFYRUXFJIDE-SNVBAGLBSA-N 0 0 197.278 1.160 10 0 ADAERN O=C(CCO)N[C@H]1CCCC2(CC2)C1 903027909 582621303 /nfs/dbraw/zinc/62/13/03/582621303.db2.gz XSCSPUHXUJZRRN-VIFPVBQESA-N 0 0 197.278 1.208 10 0 ADAERN O=C(CCO)N1CC[C@H]1C1CCCC1 903034409 582621478 /nfs/dbraw/zinc/62/14/78/582621478.db2.gz URFKFYRUXFJIDE-JTQLQIEISA-N 0 0 197.278 1.160 10 0 ADAERN O=C(CCO)N[C@@H]1CCCC2(CC2)C1 903027908 582621713 /nfs/dbraw/zinc/62/17/13/582621713.db2.gz XSCSPUHXUJZRRN-SECBINFHSA-N 0 0 197.278 1.208 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N(C(C)C)C(C)C 903141336 582622329 /nfs/dbraw/zinc/62/23/29/582622329.db2.gz NTBOKHNVNVGQAY-NXEZZACHSA-N 0 0 199.294 1.667 10 0 ADAERN CCO[C@@H]1[C@@H](C)[C@H]1c1nc(C)no1 903318771 582622633 /nfs/dbraw/zinc/62/26/33/582622633.db2.gz SSOPLTFLBVBKEE-UIISKDMLSA-N 0 0 182.223 1.516 10 0 ADAERN CC(C)(C)c1noc(CCF)n1 903272190 582622637 /nfs/dbraw/zinc/62/26/37/582622637.db2.gz SCRGFMGDATWYJS-UHFFFAOYSA-N 0 0 172.203 1.879 10 0 ADAERN CCO[C@H]1[C@@H](c2nc(C)no2)[C@H]1C 903318770 582622687 /nfs/dbraw/zinc/62/26/87/582622687.db2.gz SSOPLTFLBVBKEE-MHSYXAOVSA-N 0 0 182.223 1.516 10 0 ADAERN CC(C)Cc1noc(CCF)n1 903294895 582622708 /nfs/dbraw/zinc/62/27/08/582622708.db2.gz NSQMVESKBRWMFT-UHFFFAOYSA-N 0 0 172.203 1.780 10 0 ADAERN CCO[C@H]1[C@@H](c2nc(CC)no2)[C@H]1C 903273179 582622714 /nfs/dbraw/zinc/62/27/14/582622714.db2.gz UNFFWSJSEGKWSY-BWVDBABLSA-N 0 0 196.250 1.770 10 0 ADAERN CCO[C@@H]1[C@H](C)[C@H]1c1nc(C)no1 903318769 582622739 /nfs/dbraw/zinc/62/27/39/582622739.db2.gz SSOPLTFLBVBKEE-LPBLVHEISA-N 0 0 182.223 1.516 10 0 ADAERN CCc1noc([C@@H](C)[C@@H]2CCCO2)n1 903273286 582622844 /nfs/dbraw/zinc/62/28/44/582622844.db2.gz VWBNBRYCYDQGCD-YUMQZZPRSA-N 0 0 196.250 1.915 10 0 ADAERN CCO[C@@H]1[C@@H](C)[C@H]1c1nc(CC)no1 903273182 582622850 /nfs/dbraw/zinc/62/28/50/582622850.db2.gz UNFFWSJSEGKWSY-NBEYISGCSA-N 0 0 196.250 1.770 10 0 ADAERN CCc1noc([C@H](C)[C@@H]2CCCO2)n1 903273285 582622895 /nfs/dbraw/zinc/62/28/95/582622895.db2.gz VWBNBRYCYDQGCD-SFYZADRCSA-N 0 0 196.250 1.915 10 0 ADAERN CCO[C@@H]1[C@@H](C)[C@@H]1c1nc(CC)no1 903273180 582622972 /nfs/dbraw/zinc/62/29/72/582622972.db2.gz UNFFWSJSEGKWSY-CNUIFLNQSA-N 0 0 196.250 1.770 10 0 ADAERN FCCc1nc(C2CC2)no1 903285683 582622976 /nfs/dbraw/zinc/62/29/76/582622976.db2.gz RCJRUUDOCMRZQM-UHFFFAOYSA-N 0 0 156.160 1.459 10 0 ADAERN CCO[C@@H]1[C@@H](C)[C@@H]1c1nc(C)no1 903318754 582622990 /nfs/dbraw/zinc/62/29/90/582622990.db2.gz SSOPLTFLBVBKEE-APQOSEDMSA-N 0 0 182.223 1.516 10 0 ADAERN CCc1noc([C@H](C)[C@H]2CCCO2)n1 903273283 582623015 /nfs/dbraw/zinc/62/30/15/582623015.db2.gz VWBNBRYCYDQGCD-HTQZYQBOSA-N 0 0 196.250 1.915 10 0 ADAERN CCO[C@@H]1[C@H](C)[C@H]1c1nc(CC)no1 903273181 582623045 /nfs/dbraw/zinc/62/30/45/582623045.db2.gz UNFFWSJSEGKWSY-FTLITQJKSA-N 0 0 196.250 1.770 10 0 ADAERN CCc1noc(CCF)n1 903270843 582623050 /nfs/dbraw/zinc/62/30/50/582623050.db2.gz GQPACRGNGVYSEP-UHFFFAOYSA-N 0 0 144.149 1.144 10 0 ADAERN CCc1noc([C@@H](C)[C@H]2CCCO2)n1 903273284 582623118 /nfs/dbraw/zinc/62/31/18/582623118.db2.gz VWBNBRYCYDQGCD-JGVFFNPUSA-N 0 0 196.250 1.915 10 0 ADAERN FCCc1nc(-c2ccco2)no1 903399741 582623324 /nfs/dbraw/zinc/62/33/24/582623324.db2.gz JBPFQHPCMJRWOW-UHFFFAOYSA-N 0 0 182.154 1.842 10 0 ADAERN FCCc1nc(CC2CC2)no1 903340777 582623380 /nfs/dbraw/zinc/62/33/80/582623380.db2.gz YQEQWVILYDTQRL-UHFFFAOYSA-N 0 0 170.187 1.534 10 0 ADAERN FCCc1nc(-c2cnccn2)no1 903347838 582623406 /nfs/dbraw/zinc/62/34/06/582623406.db2.gz WBCOPSIYRXFKKO-UHFFFAOYSA-N 0 0 194.169 1.039 10 0 ADAERN C[C@@H]1C[C@H]1c1noc(CCF)n1 903419221 582623432 /nfs/dbraw/zinc/62/34/32/582623432.db2.gz ZXAWGWJCFGVZGJ-PHDIDXHHSA-N 0 0 170.187 1.705 10 0 ADAERN C[C@H]1C[C@@H]1c1noc(CCF)n1 903419223 582623534 /nfs/dbraw/zinc/62/35/34/582623534.db2.gz ZXAWGWJCFGVZGJ-WDSKDSINSA-N 0 0 170.187 1.705 10 0 ADAERN Cc1noc([C@H](C)[C@@H]2CCCO2)n1 903318447 582623608 /nfs/dbraw/zinc/62/36/08/582623608.db2.gz PWFQIAQJTCZTEZ-SVRRBLITSA-N 0 0 182.223 1.661 10 0 ADAERN C[C@H]1C[C@H]1c1noc(CCF)n1 903419220 582623621 /nfs/dbraw/zinc/62/36/21/582623621.db2.gz ZXAWGWJCFGVZGJ-NTSWFWBYSA-N 0 0 170.187 1.705 10 0 ADAERN Cc1noc([C@H](C)[C@H]2CCCO2)n1 903318443 582623694 /nfs/dbraw/zinc/62/36/94/582623694.db2.gz PWFQIAQJTCZTEZ-HTRCEHHLSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc([C@@H](C)[C@@H]2CCCO2)n1 903318448 582623742 /nfs/dbraw/zinc/62/37/42/582623742.db2.gz PWFQIAQJTCZTEZ-XPUUQOCRSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc([C@@H](C)[C@H]2CCCO2)n1 903318445 582623768 /nfs/dbraw/zinc/62/37/68/582623768.db2.gz PWFQIAQJTCZTEZ-POYBYMJQSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc([C@@H]2CCO[C@H]2C2CC2)n1 903317754 582623868 /nfs/dbraw/zinc/62/38/68/582623868.db2.gz MKXQVUSKUGNUKF-BDAKNGLRSA-N 0 0 194.234 1.661 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc(CCF)n1 903419222 582624051 /nfs/dbraw/zinc/62/40/51/582624051.db2.gz ZXAWGWJCFGVZGJ-RITPCOANSA-N 0 0 170.187 1.705 10 0 ADAERN FCCc1nc(C2CCC2)no1 903447263 582624448 /nfs/dbraw/zinc/62/44/48/582624448.db2.gz LSYFOWKMAIDOLS-UHFFFAOYSA-N 0 0 170.187 1.849 10 0 ADAERN FCCc1nc(-c2ccncn2)no1 903446063 582625028 /nfs/dbraw/zinc/62/50/28/582625028.db2.gz SAHCJZYBCBKLMI-UHFFFAOYSA-N 0 0 194.169 1.039 10 0 ADAERN CCO[C@@H](CN1CC=CCN1)C1CC1 903491044 582625275 /nfs/dbraw/zinc/62/52/75/582625275.db2.gz SGBCEWKJJPTNNT-NSHDSACASA-N 0 0 196.294 1.178 10 0 ADAERN CO[C@H](CN1CC=CCN1)C1CCC1 903490637 582625460 /nfs/dbraw/zinc/62/54/60/582625460.db2.gz BJFMZKGAURWICE-LLVKDONJSA-N 0 0 196.294 1.178 10 0 ADAERN Cc1ccncc1CN1CC=CCN1 903490951 582625485 /nfs/dbraw/zinc/62/54/85/582625485.db2.gz ONPVOOKINNDVBG-UHFFFAOYSA-N 0 0 189.262 1.266 10 0 ADAERN CCO[C@H](CN1CC=CCN1)C1CC1 903491043 582625789 /nfs/dbraw/zinc/62/57/89/582625789.db2.gz SGBCEWKJJPTNNT-LLVKDONJSA-N 0 0 196.294 1.178 10 0 ADAERN CO[C@@H](CN1CC=CCN1)C1CCC1 903490638 582625813 /nfs/dbraw/zinc/62/58/13/582625813.db2.gz BJFMZKGAURWICE-NSHDSACASA-N 0 0 196.294 1.178 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[N@H+](C)CC1CC1 903594842 582626280 /nfs/dbraw/zinc/62/62/80/582626280.db2.gz HMNPPVBTJDUNSB-WCBMZHEXSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)C(=O)[O-] 903705583 582626445 /nfs/dbraw/zinc/62/64/45/582626445.db2.gz OMUAJVALMOOZOC-BBBLOLIVSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)C(=O)[O-] 903705587 582626307 /nfs/dbraw/zinc/62/63/07/582626307.db2.gz OMUAJVALMOOZOC-OPRDCNLKSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+](C)CC1CC1 903594843 582626328 /nfs/dbraw/zinc/62/63/28/582626328.db2.gz HMNPPVBTJDUNSB-WPRPVWTQSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C)C1 903594534 582626355 /nfs/dbraw/zinc/62/63/55/582626355.db2.gz DGILMUUBSBUAJS-LPEHRKFASA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+](C)CC1CC1 903594841 582626454 /nfs/dbraw/zinc/62/64/54/582626454.db2.gz HMNPPVBTJDUNSB-SCZZXKLOSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C)C1 903594531 582626476 /nfs/dbraw/zinc/62/64/76/582626476.db2.gz DGILMUUBSBUAJS-GUBZILKMSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C1 903594536 582626499 /nfs/dbraw/zinc/62/64/99/582626499.db2.gz DGILMUUBSBUAJS-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+](C)CC1CC1 903594840 582626565 /nfs/dbraw/zinc/62/65/65/582626565.db2.gz HMNPPVBTJDUNSB-PSASIEDQSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C[NH2+][C@H]1CC[C@H](C)C1)C(=O)[O-] 903705582 582626698 /nfs/dbraw/zinc/62/66/98/582626698.db2.gz OMUAJVALMOOZOC-AEJSXWLSSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)C(=O)[O-] 903705585 582626759 /nfs/dbraw/zinc/62/67/59/582626759.db2.gz OMUAJVALMOOZOC-IVZWLZJFSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C1 903594532 582626825 /nfs/dbraw/zinc/62/68/25/582626825.db2.gz DGILMUUBSBUAJS-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1coc(C[NH2+]C(C)(C)C(=O)[O-])c1 904007213 582630774 /nfs/dbraw/zinc/63/07/74/582630774.db2.gz AWLDBLUGXYFKCC-UHFFFAOYSA-N 0 0 197.234 1.541 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)O[C@@H](C)C1CC1 904087388 582631610 /nfs/dbraw/zinc/63/16/10/582631610.db2.gz JBSQGOAUTCARMU-NBEYISGCSA-N 0 0 184.235 1.363 10 0 ADAERN C/C=C/CNC(=O)N(O)CCCC 904200860 582632545 /nfs/dbraw/zinc/63/25/45/582632545.db2.gz GYXUDRYVYDRRBA-HWKANZROSA-N 0 0 186.255 1.763 10 0 ADAERN CCCCN(O)C(=O)N[C@@H]1C[C@H]1C 904185380 582632801 /nfs/dbraw/zinc/63/28/01/582632801.db2.gz AFODDJMARQSMOH-HTQZYQBOSA-N 0 0 186.255 1.596 10 0 ADAERN C/C=C\CNC(=O)N(O)CCCC 904200861 582633275 /nfs/dbraw/zinc/63/32/75/582633275.db2.gz GYXUDRYVYDRRBA-HYXAFXHYSA-N 0 0 186.255 1.763 10 0 ADAERN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C(=O)[O-] 904246376 582633670 /nfs/dbraw/zinc/63/36/70/582633670.db2.gz NYTOCDHEPLRKHM-YEPSODPASA-N 0 0 183.251 1.095 10 0 ADAERN FCCc1nc(-c2cccnc2)no1 904319431 582634863 /nfs/dbraw/zinc/63/48/63/582634863.db2.gz BXQJQKHTDPULNF-UHFFFAOYSA-N 0 0 193.181 1.644 10 0 ADAERN CCc1noc(-c2cccc(F)n2)n1 904343047 582634930 /nfs/dbraw/zinc/63/49/30/582634930.db2.gz FWLWTLXXDOKFJF-UHFFFAOYSA-N 0 0 193.181 1.833 10 0 ADAERN CCO[C@@H]1[C@@H](C)[C@H]1C(=O)NCC(C)C 905069936 582641984 /nfs/dbraw/zinc/64/19/84/582641984.db2.gz COPOFDYKRWVCIK-IVZWLZJFSA-N 0 0 199.294 1.430 10 0 ADAERN Cc1noc([C@@H](C)c2ccnn2C)n1 904578492 582639844 /nfs/dbraw/zinc/63/98/44/582639844.db2.gz FZQLNIPHOMEDKC-LURJTMIESA-N 0 0 192.222 1.263 10 0 ADAERN Cc1noc([C@H](C)c2ccnn2C)n1 904578698 582639858 /nfs/dbraw/zinc/63/98/58/582639858.db2.gz FZQLNIPHOMEDKC-ZCFIWIBFSA-N 0 0 192.222 1.263 10 0 ADAERN Cc1noc([C@@H](C)c2cncnc2)n1 904579701 582639892 /nfs/dbraw/zinc/63/98/92/582639892.db2.gz SGETYJCRUJWVAM-LURJTMIESA-N 0 0 190.206 1.320 10 0 ADAERN CON1CCC(c2nc(C)no2)CC1 904580056 582639934 /nfs/dbraw/zinc/63/99/34/582639934.db2.gz XFKMVQMJSYVQMG-UHFFFAOYSA-N 0 0 197.238 1.119 10 0 ADAERN Cc1noc([C@H](C)c2cncnc2)n1 904579702 582639966 /nfs/dbraw/zinc/63/99/66/582639966.db2.gz SGETYJCRUJWVAM-ZCFIWIBFSA-N 0 0 190.206 1.320 10 0 ADAERN FCCc1nc(-c2ccncc2)no1 904576902 582640181 /nfs/dbraw/zinc/64/01/81/582640181.db2.gz ROPKDDJVPGFMPE-UHFFFAOYSA-N 0 0 193.181 1.644 10 0 ADAERN Cc1cnc(F)c(-c2nc(C)no2)c1 904579953 582640196 /nfs/dbraw/zinc/64/01/96/582640196.db2.gz UFTNHYBOTYHGCY-UHFFFAOYSA-N 0 0 193.181 1.888 10 0 ADAERN Cc1noc(-c2cc(F)ncc2C)n1 904580031 582640211 /nfs/dbraw/zinc/64/02/11/582640211.db2.gz VZLUXRJHBHLHMI-UHFFFAOYSA-N 0 0 193.181 1.888 10 0 ADAERN Cc1noc([C@@H]2C[C@H]3CC(=O)[C@@H]2C3)n1 904578247 582640213 /nfs/dbraw/zinc/64/02/13/582640213.db2.gz 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JYFWNQJUSAILRK-ZETCQYMHSA-N 0 0 199.229 1.453 10 0 ADAERN Fc1cnc(N[C@H]2CCCOC2)nc1 158628204 582697552 /nfs/dbraw/zinc/69/75/52/582697552.db2.gz OOMANQOTILQPQH-QMMMGPOBSA-N 0 0 197.213 1.207 10 0 ADAERN CC(=O)CCC(=O)OCc1ccoc1 788080625 582698369 /nfs/dbraw/zinc/69/83/69/582698369.db2.gz GDFXJLFDKCPOGU-UHFFFAOYSA-N 0 0 196.202 1.692 10 0 ADAERN Cc1ccnc(N2CCCCCO2)n1 788081957 582698660 /nfs/dbraw/zinc/69/86/60/582698660.db2.gz BYLYWSQQLHSMKG-UHFFFAOYSA-N 0 0 193.250 1.707 10 0 ADAERN CC(=O)CCC(=O)N(C)CC1CC1 203577003 582699807 /nfs/dbraw/zinc/69/98/07/582699807.db2.gz WRLXGSVLNVBQKD-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)Nc1ccon1 336554401 582700152 /nfs/dbraw/zinc/70/01/52/582700152.db2.gz DAOVQOBWWUDWHX-RNFRBKRXSA-N 0 0 195.222 1.595 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)Nc1ccon1 336554399 582700219 /nfs/dbraw/zinc/70/02/19/582700219.db2.gz DAOVQOBWWUDWHX-BQBZGAKWSA-N 0 0 195.222 1.595 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)Nc1ccon1 336554402 582700313 /nfs/dbraw/zinc/70/03/13/582700313.db2.gz DAOVQOBWWUDWHX-RQJHMYQMSA-N 0 0 195.222 1.595 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)Nc1nocc1C 334757288 582700528 /nfs/dbraw/zinc/70/05/28/582700528.db2.gz BCUBPRUERIBPPB-HTQZYQBOSA-N 0 0 194.234 1.968 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)Nc1ccon1 336554400 582700557 /nfs/dbraw/zinc/70/05/57/582700557.db2.gz DAOVQOBWWUDWHX-NKWVEPMBSA-N 0 0 195.222 1.595 10 0 ADAERN CCC(=O)NC(C)(C)C(F)F 17503813 582701375 /nfs/dbraw/zinc/70/13/75/582701375.db2.gz XJGXABUKDLCTSG-UHFFFAOYSA-N 0 0 165.183 1.556 10 0 ADAERN OCCOc1cccc2c1CCCC2 19786119 582703109 /nfs/dbraw/zinc/70/31/09/582703109.db2.gz FQILTPIUYQZGKC-UHFFFAOYSA-N 0 0 192.258 1.937 10 0 ADAERN CC(C)N1CCC(=O)C12CCC2 606250380 582704083 /nfs/dbraw/zinc/70/40/83/582704083.db2.gz HJONICRBMDCQIS-UHFFFAOYSA-N 0 0 167.252 1.592 10 0 ADAERN NCC(=O)c1cscc1Cl 606253402 582704101 /nfs/dbraw/zinc/70/41/01/582704101.db2.gz BQWSSWDVRUNRMT-UHFFFAOYSA-N 0 0 175.640 1.543 10 0 ADAERN CCCN1CCC(=O)C12CCC2 606250314 582704195 /nfs/dbraw/zinc/70/41/95/582704195.db2.gz BXUFJNNGWCNICY-UHFFFAOYSA-N 0 0 167.252 1.594 10 0 ADAERN CCN1CCC(=O)C12CCCC2 606250332 582704206 /nfs/dbraw/zinc/70/42/06/582704206.db2.gz DEPVECCGDIAVDV-UHFFFAOYSA-N 0 0 167.252 1.594 10 0 ADAERN CCCNOCCOc1ccccc1 164696652 582704392 /nfs/dbraw/zinc/70/43/92/582704392.db2.gz FUMOWWREQSGYPA-UHFFFAOYSA-N 0 0 195.262 1.997 10 0 ADAERN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1CO 21195167 582704524 /nfs/dbraw/zinc/70/45/24/582704524.db2.gz FLRARYFSQJTTPD-FNCVBFRFSA-N 0 0 140.226 1.661 10 0 ADAERN CCc1n[nH]c(=S)n1CCOC 20590666 582704794 /nfs/dbraw/zinc/70/47/94/582704794.db2.gz VKOSZGDOUDPWGG-UHFFFAOYSA-N 0 0 187.268 1.149 10 0 ADAERN Cc1cnccc1CN(C)CCF 824438814 582705577 /nfs/dbraw/zinc/70/55/77/582705577.db2.gz ABDHPUYQJSCMIO-UHFFFAOYSA-N 0 0 182.242 1.791 10 0 ADAERN CC[S@@](=N)(=O)C1CCOCC1 616568022 582705677 /nfs/dbraw/zinc/70/56/77/582705677.db2.gz AFMIXDHNOPLHBV-LLVKDONJSA-N 0 0 177.269 1.232 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1NC(CF)CF 824554093 582706009 /nfs/dbraw/zinc/70/60/09/582706009.db2.gz AEBSOEIHGPKBIG-FJXKBIBVSA-N 0 0 193.237 1.450 10 0 ADAERN CCNC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C 205022739 582708954 /nfs/dbraw/zinc/70/89/54/582708954.db2.gz GLWDHOVPRNHPBS-DTWKUNHWSA-N 0 0 197.278 1.374 10 0 ADAERN CC(C)C(O)=CC(=O)[C@@H]1CCOC1 229650857 582706269 /nfs/dbraw/zinc/70/62/69/582706269.db2.gz BUYAKJSBTIKEDT-MRVPVSSYSA-N 0 0 184.235 1.207 10 0 ADAERN CCCC(O)=CC(=O)[C@@H]1CCOC1 229650814 582706277 /nfs/dbraw/zinc/70/62/77/582706277.db2.gz XUGSKCPYLSGZTF-MRVPVSSYSA-N 0 0 184.235 1.351 10 0 ADAERN C[C@@H]1C[C@H](NC(CF)CF)[C@@H](C)O1 824554091 582706283 /nfs/dbraw/zinc/70/62/83/582706283.db2.gz AEBSOEIHGPKBIG-BHNWBGBOSA-N 0 0 193.237 1.450 10 0 ADAERN CC(C)C(O)=CC(=O)[C@H]1CCOC1 229650864 582706287 /nfs/dbraw/zinc/70/62/87/582706287.db2.gz BUYAKJSBTIKEDT-QMMMGPOBSA-N 0 0 184.235 1.207 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1NC(CF)CF 824554092 582706292 /nfs/dbraw/zinc/70/62/92/582706292.db2.gz AEBSOEIHGPKBIG-BKPPORCPSA-N 0 0 193.237 1.450 10 0 ADAERN C[C@@H]1C[C@@H](NC(CF)CF)[C@@H](C)O1 824554094 582706498 /nfs/dbraw/zinc/70/64/98/582706498.db2.gz AEBSOEIHGPKBIG-ZXFLCMHBSA-N 0 0 193.237 1.450 10 0 ADAERN CC(C)(C)C(O)=CC(=O)[C@H]1CCOC1 229650844 582706746 /nfs/dbraw/zinc/70/67/46/582706746.db2.gz VHEYSRNXKLCCOE-QMMMGPOBSA-N 0 0 198.262 1.597 10 0 ADAERN CCCC(O)=CC(=O)[C@H]1CCOC1 229650826 582706753 /nfs/dbraw/zinc/70/67/53/582706753.db2.gz XUGSKCPYLSGZTF-QMMMGPOBSA-N 0 0 184.235 1.351 10 0 ADAERN CCNC(=O)CC[C@@H](C)CC 201686758 582707015 /nfs/dbraw/zinc/70/70/15/582707015.db2.gz BIQUAUNXLNSICP-QMMMGPOBSA-N 0 0 157.257 1.949 10 0 ADAERN CCc1nc(CNCC2(F)CC2)co1 825062370 582707180 /nfs/dbraw/zinc/70/71/80/582707180.db2.gz UAHYBSJUAOCBDD-UHFFFAOYSA-N 0 0 198.241 1.829 10 0 ADAERN CC[N@@H+]1CCC(=O)C12CCCCC2 200827924 582707185 /nfs/dbraw/zinc/70/71/85/582707185.db2.gz CXCQVWWDJWGCIU-UHFFFAOYSA-N 0 0 181.279 1.984 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N(C)C 200587114 582707204 /nfs/dbraw/zinc/70/72/04/582707204.db2.gz HAEIQODCCIRPHL-MRVPVSSYSA-N 0 0 157.257 1.757 10 0 ADAERN CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)[O-] 201934018 582707640 /nfs/dbraw/zinc/70/76/40/582707640.db2.gz OWINSWVHOFJHIY-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)Nc1cccc2cnncc12 202127293 582707718 /nfs/dbraw/zinc/70/77/18/582707718.db2.gz CUAABSUVNPAPOF-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)[O-] 201934046 582707880 /nfs/dbraw/zinc/70/78/80/582707880.db2.gz OWINSWVHOFJHIY-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1cc([C@@H](O)c2cn[nH]c2)co1 706285000 582708106 /nfs/dbraw/zinc/70/81/06/582708106.db2.gz SJOLDBYWHREGRG-SECBINFHSA-N 0 0 178.191 1.393 10 0 ADAERN Cn1ccc(-c2cccc(N)n2)n1 231977989 582708330 /nfs/dbraw/zinc/70/83/30/582708330.db2.gz QJMOREOQCHRCNI-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCCCOc1ccc(C)[n+]([O-])c1 141158737 582708395 /nfs/dbraw/zinc/70/83/95/582708395.db2.gz GXYZEWHZOSFVMK-UHFFFAOYSA-N 0 0 181.235 1.807 10 0 ADAERN CCNc1cnc(NCC)cn1 204202350 582708689 /nfs/dbraw/zinc/70/86/89/582708689.db2.gz BWUZUVACPNFUJZ-UHFFFAOYSA-N 0 0 166.228 1.340 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H](F)C1 203898071 582708996 /nfs/dbraw/zinc/70/89/96/582708996.db2.gz PYAWEBBJOFKXLM-QYNIQEEDSA-N 0 0 132.178 1.505 10 0 ADAERN COC(=O)[C@@H]1C[C@H]1C(C)(C)C 142127356 582708999 /nfs/dbraw/zinc/70/89/99/582708999.db2.gz MNAHERGTAWFDEZ-RNFRBKRXSA-N 0 0 156.225 1.842 10 0 ADAERN CCC(F)(F)Cn1cc(N)cn1 704802256 582709038 /nfs/dbraw/zinc/70/90/38/582709038.db2.gz KIZKTNIRXSAFGF-UHFFFAOYSA-N 0 0 175.182 1.511 10 0 ADAERN Cc1n[nH]c2ccc(F)cc2c1=O 527432023 582710063 /nfs/dbraw/zinc/71/00/63/582710063.db2.gz MOYHMTVFOBHCJO-UHFFFAOYSA-N 0 0 178.166 1.783 10 0 ADAERN Cc1n[nH]c2cc(F)ccc2c1=O 527434174 582710259 /nfs/dbraw/zinc/71/02/59/582710259.db2.gz NMRKOPXAAWRQQU-UHFFFAOYSA-N 0 0 178.166 1.783 10 0 ADAERN O=c1[nH]sc2cccc(F)c12 6525322 582710804 /nfs/dbraw/zinc/71/08/04/582710804.db2.gz XRRVCBCTFWZGRG-UHFFFAOYSA-N 0 0 169.180 1.729 10 0 ADAERN C[C@H]([C@@H]([NH3+])CC(=O)[O-])C(C)(C)C 143967268 582710951 /nfs/dbraw/zinc/71/09/51/582710951.db2.gz KFXSVCSDFYHEMH-RQJHMYQMSA-N 0 0 173.256 1.471 10 0 ADAERN CC[C@@H](C[NH2+]C1CSC1)OC 379172153 582711792 /nfs/dbraw/zinc/71/17/92/582711792.db2.gz LHSHQXIXFPGOLP-QMMMGPOBSA-N 0 0 175.297 1.116 10 0 ADAERN CCOC[C@H](C)NC(=O)[C@H]1C[C@@H]1C 378801579 582711862 /nfs/dbraw/zinc/71/18/62/582711862.db2.gz UNOYIRACMGVNGX-CIUDSAMLSA-N 0 0 185.267 1.184 10 0 ADAERN CCN(C)C(=O)CCC(F)F 378966364 582712838 /nfs/dbraw/zinc/71/28/38/582712838.db2.gz BNMCEVGASAQYSC-UHFFFAOYSA-N 0 0 165.183 1.510 10 0 ADAERN O=C(CCC(F)F)NCCF 378912664 582712069 /nfs/dbraw/zinc/71/20/69/582712069.db2.gz KOCQSZHJBQJTDG-UHFFFAOYSA-N 0 0 169.146 1.117 10 0 ADAERN COC(C)(C)[C@@H](C)[NH2+]CCF 378959097 582712177 /nfs/dbraw/zinc/71/21/77/582712177.db2.gz VSQQDICIBXUVMI-SSDOTTSWSA-N 0 0 163.236 1.359 10 0 ADAERN C/C(=C\Cl)Cn1cc(N)cn1 378986861 582712272 /nfs/dbraw/zinc/71/22/72/582712272.db2.gz YGTJMLKCAHMMEV-QHHAFSJGSA-N 0 0 171.631 1.608 10 0 ADAERN COC(C)(C)[C@H](C)[NH2+]CCF 378959101 582712346 /nfs/dbraw/zinc/71/23/46/582712346.db2.gz VSQQDICIBXUVMI-ZETCQYMHSA-N 0 0 163.236 1.359 10 0 ADAERN CCN(C)C(=O)NCCCF 378937910 582712395 /nfs/dbraw/zinc/71/23/95/582712395.db2.gz FQHCZZSIGZJWPT-UHFFFAOYSA-N 0 0 162.208 1.007 10 0 ADAERN O=C(C=C([O-])C(F)(F)F)C1CCC1 379037786 582712476 /nfs/dbraw/zinc/71/24/76/582712476.db2.gz GOOITTMXGGTEDQ-UHFFFAOYSA-N 0 0 194.152 1.877 10 0 ADAERN CC[C@H](C[NH2+]C1CSC1)OC 379172152 582712690 /nfs/dbraw/zinc/71/26/90/582712690.db2.gz LHSHQXIXFPGOLP-MRVPVSSYSA-N 0 0 175.297 1.116 10 0 ADAERN NC(=O)OCCC(F)(F)F 106987909 582715022 /nfs/dbraw/zinc/71/50/22/582715022.db2.gz GZKKMNSMVCFHPM-UHFFFAOYSA-N 0 0 157.091 1.034 10 0 ADAERN O=C(OC1CCCC1)[C@H](O)C1CCC1 838309605 582718011 /nfs/dbraw/zinc/71/80/11/582718011.db2.gz AEIBSLZZXZKCCA-SNVBAGLBSA-N 0 0 198.262 1.633 10 0 ADAERN Cn1ccnc1-c1ccc(C=O)o1 196791523 582713512 /nfs/dbraw/zinc/71/35/12/582713512.db2.gz OXNISHLOYZMIGL-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN O=C(CC1(O)CCC1)OCCCF 838211503 582717079 /nfs/dbraw/zinc/71/70/79/582717079.db2.gz GSMKQJBOVWDLPL-UHFFFAOYSA-N 0 0 190.214 1.194 10 0 ADAERN COc1cc(OC)sn1 196192052 582713896 /nfs/dbraw/zinc/71/38/96/582713896.db2.gz OFZINOXTIHFJEF-UHFFFAOYSA-N 0 0 145.183 1.160 10 0 ADAERN CN(C)C(=O)/C=C\C(C)(C)C 208647302 582713938 /nfs/dbraw/zinc/71/39/38/582713938.db2.gz DBFODXIGNYBNRR-SREVYHEPSA-N 0 0 155.241 1.677 10 0 ADAERN C/C=C/COC(=O)[C@](C)(CC)CO 838205327 582717088 /nfs/dbraw/zinc/71/70/88/582717088.db2.gz IJJCZXJDSWVKOK-DFVUYQKZSA-N 0 0 186.251 1.514 10 0 ADAERN CCO[C@@H]1CCCC(=O)CC1 197291176 582714470 /nfs/dbraw/zinc/71/44/70/582714470.db2.gz LUCDFRPQMMBMRO-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN O=C(c1ccc(F)cc1)[C@@H]1CO1 198773364 582714556 /nfs/dbraw/zinc/71/45/56/582714556.db2.gz OIAKXZWJQIBNDZ-QMMMGPOBSA-N 0 0 166.151 1.407 10 0 ADAERN NC(=O)CCC(=O)c1cccc(F)c1 197265502 582714626 /nfs/dbraw/zinc/71/46/26/582714626.db2.gz 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ADAERN CC(C)C(=O)OCCCc1cn[nH]c1 748492971 582753213 /nfs/dbraw/zinc/75/32/13/582753213.db2.gz XIJGGQMRMXZYOJ-UHFFFAOYSA-N 0 0 196.250 1.542 10 0 ADAERN CCCC(=O)OCCCc1cn[nH]c1 748491531 582753264 /nfs/dbraw/zinc/75/32/64/582753264.db2.gz LFUFGOYFODUOMM-UHFFFAOYSA-N 0 0 196.250 1.686 10 0 ADAERN COC[C@H](OC(=O)C=C(C)C)C1CC1 748956193 582753477 /nfs/dbraw/zinc/75/34/77/582753477.db2.gz FLBTVRHYKHRNIV-JTQLQIEISA-N 0 0 198.262 1.921 10 0 ADAERN COC[C@H](OC(=O)CC1CC1)C1CC1 748951740 582753486 /nfs/dbraw/zinc/75/34/86/582753486.db2.gz FDBAGGGYRSBHGB-JTQLQIEISA-N 0 0 198.262 1.755 10 0 ADAERN COC[C@H](OC(=O)[C@@H]1C[C@H]1C)C1CC1 748932513 582753514 /nfs/dbraw/zinc/75/35/14/582753514.db2.gz LTCUOQZSEHJJQH-QNSHHTMESA-N 0 0 198.262 1.611 10 0 ADAERN COC[C@@H](OC(=O)C=C(C)C)C1CC1 748956194 582753534 /nfs/dbraw/zinc/75/35/34/582753534.db2.gz FLBTVRHYKHRNIV-SNVBAGLBSA-N 0 0 198.262 1.921 10 0 ADAERN COC[C@H](OC(=O)C1CCC1)C1CC1 748955118 582753586 /nfs/dbraw/zinc/75/35/86/582753586.db2.gz PFBKVGHRXPUPLO-JTQLQIEISA-N 0 0 198.262 1.755 10 0 ADAERN COC[C@H](OC(=O)[C@H]1C[C@@H]1C)C1CC1 748932509 582753813 /nfs/dbraw/zinc/75/38/13/582753813.db2.gz LTCUOQZSEHJJQH-HGNGGELXSA-N 0 0 198.262 1.611 10 0 ADAERN CC/C=C(\C)C(=O)OCCC(=O)NC 749050276 582754179 /nfs/dbraw/zinc/75/41/79/582754179.db2.gz QWDOINXSKOPHGH-VMPITWQZSA-N 0 0 199.250 1.022 10 0 ADAERN CCC/C=C\C(=O)OCCC(=O)NC 749048085 582754193 /nfs/dbraw/zinc/75/41/93/582754193.db2.gz WBZGDXFTJNUMSP-WAYWQWQTSA-N 0 0 199.250 1.022 10 0 ADAERN CC/C=C(/C)C(=O)OCCC(=O)NC 749050277 582754196 /nfs/dbraw/zinc/75/41/96/582754196.db2.gz QWDOINXSKOPHGH-YVMONPNESA-N 0 0 199.250 1.022 10 0 ADAERN CCC/C=C/C(=O)OCCC(=O)NC 749048084 582754219 /nfs/dbraw/zinc/75/42/19/582754219.db2.gz WBZGDXFTJNUMSP-AATRIKPKSA-N 0 0 199.250 1.022 10 0 ADAERN C/C(=C\C(=O)Nc1cnoc1)C1CC1 749558323 582754940 /nfs/dbraw/zinc/75/49/40/582754940.db2.gz USRZWNUIBLHMNB-QPJJXVBHSA-N 0 0 192.218 1.969 10 0 ADAERN CC(C)OCCC(=O)Nc1cnoc1 749555305 582754999 /nfs/dbraw/zinc/75/49/99/582754999.db2.gz AVADNAORJDLTCU-UHFFFAOYSA-N 0 0 198.222 1.428 10 0 ADAERN C/C(=C/C(=O)Nc1cnoc1)C1CC1 749558322 582755202 /nfs/dbraw/zinc/75/52/02/582755202.db2.gz USRZWNUIBLHMNB-DAXSKMNVSA-N 0 0 192.218 1.969 10 0 ADAERN CC(C)[C@H](O)CC(=O)NC1CCCC1 750054277 582755597 /nfs/dbraw/zinc/75/55/97/582755597.db2.gz CQPVWIFNBGWBFH-SNVBAGLBSA-N 0 0 199.294 1.452 10 0 ADAERN CC(C)CONC(=O)C1=COCCC1 750221499 582756333 /nfs/dbraw/zinc/75/63/33/582756333.db2.gz LVKWFYDSTNVVMY-UHFFFAOYSA-N 0 0 199.250 1.385 10 0 ADAERN CC(C)[C@@H](O)CC(=O)NC1CCCC1 750054276 582756521 /nfs/dbraw/zinc/75/65/21/582756521.db2.gz CQPVWIFNBGWBFH-JTQLQIEISA-N 0 0 199.294 1.452 10 0 ADAERN COC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 750516287 582756954 /nfs/dbraw/zinc/75/69/54/582756954.db2.gz HVLTWEYKIIVDEQ-RKDXNWHRSA-N 0 0 199.250 1.111 10 0 ADAERN O=C(OCC1CC=CC1)C1=COCC1 750375149 582756964 /nfs/dbraw/zinc/75/69/64/582756964.db2.gz CNUFURCLTBGEES-UHFFFAOYSA-N 0 0 194.230 1.800 10 0 ADAERN CC[C@@H](OC)C(=O)OCC1CC=CC1 750379714 582757017 /nfs/dbraw/zinc/75/70/17/582757017.db2.gz IMXITEGODPTCSV-SNVBAGLBSA-N 0 0 198.262 1.921 10 0 ADAERN CCO[C@@H](C)C(=O)OCC1CC=CC1 750357712 582757059 /nfs/dbraw/zinc/75/70/59/582757059.db2.gz NEOCCGPKFYZQLD-VIFPVBQESA-N 0 0 198.262 1.921 10 0 ADAERN CCCOCC(=O)OCC1CC=CC1 750363785 582757091 /nfs/dbraw/zinc/75/70/91/582757091.db2.gz FBUXKNQIFXMXAU-UHFFFAOYSA-N 0 0 198.262 1.922 10 0 ADAERN CO[C@@H](C)CC(=O)OCC1CC=CC1 750380917 582757205 /nfs/dbraw/zinc/75/72/05/582757205.db2.gz VQONUDRKJXWVDO-VIFPVBQESA-N 0 0 198.262 1.921 10 0 ADAERN O=C(OCC1CC=CC1)c1cocn1 750380320 582757213 /nfs/dbraw/zinc/75/72/13/582757213.db2.gz OGCIZERKKDXLHW-UHFFFAOYSA-N 0 0 193.202 1.798 10 0 ADAERN O=C(OCC(=O)C1CC1)c1cc[nH]c1 750496653 582757228 /nfs/dbraw/zinc/75/72/28/582757228.db2.gz JRKSTDNTVSILST-UHFFFAOYSA-N 0 0 193.202 1.151 10 0 ADAERN COCCCC(=O)OCC1CC=CC1 750361878 582757296 /nfs/dbraw/zinc/75/72/96/582757296.db2.gz XBDCTNXDDPSSQS-UHFFFAOYSA-N 0 0 198.262 1.922 10 0 ADAERN CCO[C@H](C)C(=O)OCC1CC=CC1 750357711 582757457 /nfs/dbraw/zinc/75/74/57/582757457.db2.gz NEOCCGPKFYZQLD-SECBINFHSA-N 0 0 198.262 1.921 10 0 ADAERN COC(=O)N1CC[C@H]([C@H]2CCOC2)C1 750516285 582757507 /nfs/dbraw/zinc/75/75/07/582757507.db2.gz HVLTWEYKIIVDEQ-IUCAKERBSA-N 0 0 199.250 1.111 10 0 ADAERN COC(=O)N1CC[C@@H]([C@H]2CCOC2)C1 750516281 582757631 /nfs/dbraw/zinc/75/76/31/582757631.db2.gz HVLTWEYKIIVDEQ-BDAKNGLRSA-N 0 0 199.250 1.111 10 0 ADAERN CC(C)OCC(=O)OCC1CC=CC1 750360719 582757654 /nfs/dbraw/zinc/75/76/54/582757654.db2.gz QGGNWGACBFNSRL-UHFFFAOYSA-N 0 0 198.262 1.921 10 0 ADAERN COC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 750516283 582757702 /nfs/dbraw/zinc/75/77/02/582757702.db2.gz HVLTWEYKIIVDEQ-DTWKUNHWSA-N 0 0 199.250 1.111 10 0 ADAERN CC[C@H](OC)C(=O)OCC1CC=CC1 750379712 582757716 /nfs/dbraw/zinc/75/77/16/582757716.db2.gz IMXITEGODPTCSV-JTQLQIEISA-N 0 0 198.262 1.921 10 0 ADAERN CO[C@H](C)CC(=O)OCC1CC=CC1 750380916 582757735 /nfs/dbraw/zinc/75/77/35/582757735.db2.gz VQONUDRKJXWVDO-SECBINFHSA-N 0 0 198.262 1.921 10 0 ADAERN CCC1(C(=O)OCC(=O)C2CC2)CC1 750483169 582757743 /nfs/dbraw/zinc/75/77/43/582757743.db2.gz RPXVHOAOCYRCKW-UHFFFAOYSA-N 0 0 196.246 1.699 10 0 ADAERN COC(C)(C)C(=O)OCC1CC=CC1 750374435 582757760 /nfs/dbraw/zinc/75/77/60/582757760.db2.gz XPFHBDKNUWKMIZ-UHFFFAOYSA-N 0 0 198.262 1.921 10 0 ADAERN CCOCCC(=O)OCC1CC=CC1 750365658 582757784 /nfs/dbraw/zinc/75/77/84/582757784.db2.gz VLDPWQSOOHXTEW-UHFFFAOYSA-N 0 0 198.262 1.922 10 0 ADAERN CCn1cc(C(=O)OC2CCC2)cn1 750738596 582758104 /nfs/dbraw/zinc/75/81/04/582758104.db2.gz JABQEPKXYBIWGA-UHFFFAOYSA-N 0 0 194.234 1.612 10 0 ADAERN CC1(C(=O)OC2CCC2)CCOCC1 750738325 582758192 /nfs/dbraw/zinc/75/81/92/582758192.db2.gz HEEPGKNYCYKCKP-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN O=C(CC1CCOCC1)OC1CCC1 750737976 582758211 /nfs/dbraw/zinc/75/82/11/582758211.db2.gz BVFTUNYNQRNYNH-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)c1ccccn1 750692551 582758359 /nfs/dbraw/zinc/75/83/59/582758359.db2.gz DXTLJOJWJWSJCK-DTWKUNHWSA-N 0 0 191.230 1.894 10 0 ADAERN O=C(CCn1cccn1)OC1CCC1 750738800 582758363 /nfs/dbraw/zinc/75/83/63/582758363.db2.gz AMPMSMKJSCXUQP-UHFFFAOYSA-N 0 0 194.234 1.369 10 0 ADAERN Cc1cc(C(=O)OC2CCC2)n(C)n1 750738200 582758401 /nfs/dbraw/zinc/75/84/01/582758401.db2.gz CAADFVTUMMDKGQ-UHFFFAOYSA-N 0 0 194.234 1.438 10 0 ADAERN CCC[C@@H](C)C(=O)Oc1cnn(C)c1 750543456 582758464 /nfs/dbraw/zinc/75/84/64/582758464.db2.gz PUMJMCMVMPUQPG-MRVPVSSYSA-N 0 0 196.250 1.762 10 0 ADAERN CCCCCC(=O)Oc1cnn(C)c1 750545153 582758495 /nfs/dbraw/zinc/75/84/95/582758495.db2.gz AXSGBABQRMYNMI-UHFFFAOYSA-N 0 0 196.250 1.906 10 0 ADAERN Cn1cc(CC(=O)OC2CCC2)cn1 750738483 582758549 /nfs/dbraw/zinc/75/85/49/582758549.db2.gz WYEIXGDZKZFLCN-UHFFFAOYSA-N 0 0 194.234 1.058 10 0 ADAERN CC1(C(=O)OCC(=O)C2CC2)CCC1 750529754 582758552 /nfs/dbraw/zinc/75/85/52/582758552.db2.gz ZKXUMPAHNGCVON-UHFFFAOYSA-N 0 0 196.246 1.699 10 0 ADAERN C[C@H]1C[C@H]1COC(=O)c1ccccn1 750692554 582758588 /nfs/dbraw/zinc/75/85/88/582758588.db2.gz DXTLJOJWJWSJCK-IUCAKERBSA-N 0 0 191.230 1.894 10 0 ADAERN Cn1cc(OC(=O)C2CC=CC2)cn1 750546605 582758645 /nfs/dbraw/zinc/75/86/45/582758645.db2.gz SSDGVRBEOLVTPO-UHFFFAOYSA-N 0 0 192.218 1.292 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)c1ccccn1 750692541 582758674 /nfs/dbraw/zinc/75/86/74/582758674.db2.gz DXTLJOJWJWSJCK-BDAKNGLRSA-N 0 0 191.230 1.894 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)c1ccccn1 750692555 582758706 /nfs/dbraw/zinc/75/87/06/582758706.db2.gz DXTLJOJWJWSJCK-RKDXNWHRSA-N 0 0 191.230 1.894 10 0 ADAERN Cc1nn(C)cc1C(=O)OC1CCC1 750738206 582758767 /nfs/dbraw/zinc/75/87/67/582758767.db2.gz SXWVMFYYWDYRFU-UHFFFAOYSA-N 0 0 194.234 1.438 10 0 ADAERN CCC(CC)C(=O)Oc1cnn(C)c1 750545146 582758776 /nfs/dbraw/zinc/75/87/76/582758776.db2.gz AMTQRWIKOYRHCE-UHFFFAOYSA-N 0 0 196.250 1.762 10 0 ADAERN CC(=O)C[C@@H](C)NC(=O)/C=C/C1CC1 750809116 582758974 /nfs/dbraw/zinc/75/89/74/582758974.db2.gz PNMHJOBRANYGSJ-HQZHTGGTSA-N 0 0 195.262 1.436 10 0 ADAERN C/C=C(\C)C(=O)OCc1cc(C)no1 750902612 582758986 /nfs/dbraw/zinc/75/89/86/582758986.db2.gz CPDHTNSBZQVTDL-QPJJXVBHSA-N 0 0 195.218 1.992 10 0 ADAERN CC(=O)C[C@H](C)NC(=O)/C=C/C1CC1 750809113 582759008 /nfs/dbraw/zinc/75/90/08/582759008.db2.gz PNMHJOBRANYGSJ-GJIOHYHPSA-N 0 0 195.262 1.436 10 0 ADAERN C/C=C(\C)C(=O)OCc1cnn(C)c1 750900985 582759086 /nfs/dbraw/zinc/75/90/86/582759086.db2.gz DAIHRXSVXHGFOO-XBXARRHUSA-N 0 0 194.234 1.430 10 0 ADAERN CC(=O)COC(=O)[C@@H]1[C@H]2CCCC[C@H]21 750912741 582759104 /nfs/dbraw/zinc/75/91/04/582759104.db2.gz SFENDDSKZFQTMS-MYJAWHEDSA-N 0 0 196.246 1.555 10 0 ADAERN C[C@H]1C[C@H]1C(=O)OCCOC1CCC1 750772255 582759160 /nfs/dbraw/zinc/75/91/60/582759160.db2.gz ATTVNIGVLJPAOC-WCBMZHEXSA-N 0 0 198.262 1.755 10 0 ADAERN C/C=C(/C)C(=O)OCc1cc(C)no1 750902611 582759181 /nfs/dbraw/zinc/75/91/81/582759181.db2.gz CPDHTNSBZQVTDL-DAXSKMNVSA-N 0 0 195.218 1.992 10 0 ADAERN CC(=O)C[C@H](C)NC(=O)/C=C\C1CC1 750809119 582759235 /nfs/dbraw/zinc/75/92/35/582759235.db2.gz PNMHJOBRANYGSJ-SLGIHZDVSA-N 0 0 195.262 1.436 10 0 ADAERN COCCOC(=O)[C@@H]1[C@H]2CCCC[C@H]21 750908791 582759311 /nfs/dbraw/zinc/75/93/11/582759311.db2.gz IUUHALAHGXSSBX-MYJAWHEDSA-N 0 0 198.262 1.612 10 0 ADAERN O=C(OCCCO)[C@@H]1[C@H]2CCCC[C@H]21 750914399 582759396 /nfs/dbraw/zinc/75/93/96/582759396.db2.gz XIJHDIPKFQGNMG-MYJAWHEDSA-N 0 0 198.262 1.348 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)OCCOC1CCC1 750772253 582759464 /nfs/dbraw/zinc/75/94/64/582759464.db2.gz ATTVNIGVLJPAOC-PSASIEDQSA-N 0 0 198.262 1.755 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)OCCOC1CCC1 750772256 582759476 /nfs/dbraw/zinc/75/94/76/582759476.db2.gz ATTVNIGVLJPAOC-WPRPVWTQSA-N 0 0 198.262 1.755 10 0 ADAERN O=C(OCCOC1CCC1)C1CCC1 750773600 582759478 /nfs/dbraw/zinc/75/94/78/582759478.db2.gz FODNNGCCIVQVIF-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN CC(=O)C[C@@H](C)NC(=O)/C=C\C1CC1 750809118 582759504 /nfs/dbraw/zinc/75/95/04/582759504.db2.gz PNMHJOBRANYGSJ-RPSMYOMKSA-N 0 0 195.262 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ZKBGZQGSTWAVJL-UHFFFAOYSA-N 0 0 196.294 1.550 10 0 ADAERN C[C@@H](CCCO)NC(=O)/C=C/C1CC1 763488313 582818867 /nfs/dbraw/zinc/81/88/67/582818867.db2.gz ZDOGVABGZSJWMA-UCUJLANTSA-N 0 0 197.278 1.230 10 0 ADAERN CON(C)C(=O)NCCC1=CCCC1 763268954 582818869 /nfs/dbraw/zinc/81/88/69/582818869.db2.gz VTEKJLFDIBCVGS-UHFFFAOYSA-N 0 0 198.266 1.690 10 0 ADAERN CCCc1nc(C(=O)N(C)OC)co1 758798467 582800141 /nfs/dbraw/zinc/80/01/41/582800141.db2.gz AUMPGHFGGHSFFB-UHFFFAOYSA-N 0 0 198.222 1.261 10 0 ADAERN CCNC(=O)/C=C\c1ncccc1C 758885996 582800558 /nfs/dbraw/zinc/80/05/58/582800558.db2.gz MRUMHZNULRHIKH-SREVYHEPSA-N 0 0 190.246 1.539 10 0 ADAERN CC1(C)C[C@H]1C(=O)NCc1ccno1 758536959 582800560 /nfs/dbraw/zinc/80/05/60/582800560.db2.gz BZPPSZKNXQIUKV-QMMMGPOBSA-N 0 0 194.234 1.337 10 0 ADAERN CC1(CC(=O)OCC(=O)C2CC2)CC1 758807814 582800563 /nfs/dbraw/zinc/80/05/63/582800563.db2.gz JNGSCTHJWUPDLA-UHFFFAOYSA-N 0 0 196.246 1.699 10 0 ADAERN CCONC(=O)N[C@H]1CC12CCCC2 759156068 582800711 /nfs/dbraw/zinc/80/07/11/582800711.db2.gz JAXKTUPOPBSKRS-QMMMGPOBSA-N 0 0 198.266 1.570 10 0 ADAERN Cn1ccc(COC(=O)C2=CCC2)n1 759004708 582801226 /nfs/dbraw/zinc/80/12/26/582801226.db2.gz QBVWRYIEQPSUOA-UHFFFAOYSA-N 0 0 192.218 1.184 10 0 ADAERN CCONC(=O)N[C@@H]1CC12CCCC2 759156067 582801451 /nfs/dbraw/zinc/80/14/51/582801451.db2.gz JAXKTUPOPBSKRS-MRVPVSSYSA-N 0 0 198.266 1.570 10 0 ADAERN FCCN1CCOC[C@H]1c1ccco1 759341097 582801756 /nfs/dbraw/zinc/80/17/56/582801756.db2.gz CXDDIAPUUADJPK-VIFPVBQESA-N 0 0 199.225 1.622 10 0 ADAERN CCC(=CC(=O)NCC[C@@H](C)O)CC 759221597 582801842 /nfs/dbraw/zinc/80/18/42/582801842.db2.gz OCBAZMVZCFALBE-SECBINFHSA-N 0 0 199.294 1.620 10 0 ADAERN FCCN1CCOC[C@@H]1c1ccco1 759341096 582802430 /nfs/dbraw/zinc/80/24/30/582802430.db2.gz CXDDIAPUUADJPK-SECBINFHSA-N 0 0 199.225 1.622 10 0 ADAERN O=Cc1cccc(C(=O)OCCF)c1 759373790 582802717 /nfs/dbraw/zinc/80/27/17/582802717.db2.gz CUIMVFVDOCBOBH-UHFFFAOYSA-N 0 0 196.177 1.625 10 0 ADAERN CONC(=O)/C=C/c1ncccc1C 759416011 582802969 /nfs/dbraw/zinc/80/29/69/582802969.db2.gz PYWFLFGJLMXIJN-AATRIKPKSA-N 0 0 192.218 1.081 10 0 ADAERN Cc1cccnc1/C=C\C(=O)N(C)C 759411452 582803350 /nfs/dbraw/zinc/80/33/50/582803350.db2.gz BNKPOQVZYGDCLH-SREVYHEPSA-N 0 0 190.246 1.491 10 0 ADAERN CONC(=O)c1oc(C2CC2)nc1C 759413207 582803380 /nfs/dbraw/zinc/80/33/80/582803380.db2.gz HICGSFIUIUQUBF-UHFFFAOYSA-N 0 0 196.206 1.152 10 0 ADAERN Cc1cccnc1/C=C/C(=O)N(C)C 759411455 582803406 /nfs/dbraw/zinc/80/34/06/582803406.db2.gz BNKPOQVZYGDCLH-VOTSOKGWSA-N 0 0 190.246 1.491 10 0 ADAERN CONC(=O)/C=C\c1ncccc1C 759416012 582803408 /nfs/dbraw/zinc/80/34/08/582803408.db2.gz PYWFLFGJLMXIJN-WAYWQWQTSA-N 0 0 192.218 1.081 10 0 ADAERN CC(C)(C)/C=C\C(=O)OCCC(N)=O 759556554 582803811 /nfs/dbraw/zinc/80/38/11/582803811.db2.gz QYQKIEUKHHWAIN-XQRVVYSFSA-N 0 0 199.250 1.007 10 0 ADAERN O=C(OC1CCC1)c1cncc(F)c1 759565180 582803964 /nfs/dbraw/zinc/80/39/64/582803964.db2.gz RHKQIJIWDNYUHZ-UHFFFAOYSA-N 0 0 195.193 1.930 10 0 ADAERN CCC/C(C)=C/C(=O)OCCC(N)=O 759554690 582804127 /nfs/dbraw/zinc/80/41/27/582804127.db2.gz LVHGXRQCVVABME-BQYQJAHWSA-N 0 0 199.250 1.151 10 0 ADAERN CCC(=CC(=O)OCCC(N)=O)CC 759559557 582804131 /nfs/dbraw/zinc/80/41/31/582804131.db2.gz ZAEWAMXKHYZINY-UHFFFAOYSA-N 0 0 199.250 1.151 10 0 ADAERN CC(C)(C)/C=C/C(=O)OCCC(N)=O 759556552 582804216 /nfs/dbraw/zinc/80/42/16/582804216.db2.gz QYQKIEUKHHWAIN-GQCTYLIASA-N 0 0 199.250 1.007 10 0 ADAERN CCC/C(C)=C\C(=O)OCCC(N)=O 759554692 582804223 /nfs/dbraw/zinc/80/42/23/582804223.db2.gz LVHGXRQCVVABME-FPLPWBNLSA-N 0 0 199.250 1.151 10 0 ADAERN C[C@H]1OCC[C@@H]1OC(=O)CC1(C)CC1 759649959 582804740 /nfs/dbraw/zinc/80/47/40/582804740.db2.gz NFKSDWPCXTZJOO-BDAKNGLRSA-N 0 0 198.262 1.897 10 0 ADAERN CC(C)CCOC(=O)c1ccnnc1 759815141 582804791 /nfs/dbraw/zinc/80/47/91/582804791.db2.gz VFQUUKQFJUPWDW-UHFFFAOYSA-N 0 0 194.234 1.680 10 0 ADAERN C[C@@H]1OCC[C@@H]1OC(=O)CC1(C)CC1 759649963 582804859 /nfs/dbraw/zinc/80/48/59/582804859.db2.gz NFKSDWPCXTZJOO-IUCAKERBSA-N 0 0 198.262 1.897 10 0 ADAERN C[C@@H](C(=O)Oc1cnn(C)c1)C1CC1 769268480 582837748 /nfs/dbraw/zinc/83/77/48/582837748.db2.gz ZQBAJAJROJLVFL-SSDOTTSWSA-N 0 0 194.234 1.372 10 0 ADAERN COC(=O)[C@H](C)OC(=O)C1=CCCC1 759784264 582805342 /nfs/dbraw/zinc/80/53/42/582805342.db2.gz FPVNIRRFTAJNKD-ZETCQYMHSA-N 0 0 198.218 1.201 10 0 ADAERN C[C@H]1OCC[C@H]1OC(=O)CC1(C)CC1 759649964 582805421 /nfs/dbraw/zinc/80/54/21/582805421.db2.gz NFKSDWPCXTZJOO-RKDXNWHRSA-N 0 0 198.262 1.897 10 0 ADAERN C[C@@H]1OCC[C@H]1OC(=O)CC1(C)CC1 759649961 582805453 /nfs/dbraw/zinc/80/54/53/582805453.db2.gz NFKSDWPCXTZJOO-DTWKUNHWSA-N 0 0 198.262 1.897 10 0 ADAERN C/C(=C\c1ncc[nH]1)c1cnccn1 774134063 582857657 /nfs/dbraw/zinc/85/76/57/582857657.db2.gz IFFZFZIYSKMJBU-SOFGYWHQSA-N 0 0 186.218 1.760 10 0 ADAERN CCONC(=O)Nc1cc(CC)on1 759986607 582805751 /nfs/dbraw/zinc/80/57/51/582805751.db2.gz LJWCNLCEBQDUHP-UHFFFAOYSA-N 0 0 199.210 1.310 10 0 ADAERN CN(C(=O)[C@@H]1CC1(C)C)C1CC(O)C1 760050807 582806158 /nfs/dbraw/zinc/80/61/58/582806158.db2.gz ULUMMPZZJBKAEM-HACHORDNSA-N 0 0 197.278 1.014 10 0 ADAERN O=C(NC1CC=CC1)C1=COCCC1 760031568 582806309 /nfs/dbraw/zinc/80/63/09/582806309.db2.gz KCIYTLORADNPKR-UHFFFAOYSA-N 0 0 193.246 1.516 10 0 ADAERN O=C(O[C@@H]1CCCOC1)C1CCCC1 761358530 582812069 /nfs/dbraw/zinc/81/20/69/582812069.db2.gz OWYSLJGRAXXKAV-SNVBAGLBSA-N 0 0 198.262 1.899 10 0 ADAERN CC(=O)CCN(C)C(=O)CC1(C)CC1 760485767 582807132 /nfs/dbraw/zinc/80/71/32/582807132.db2.gz LDCSHBSPTYRGMC-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CC(=O)NOCc1ncc(C2CC2)o1 760351020 582807180 /nfs/dbraw/zinc/80/71/80/582807180.db2.gz LWAYJDAALBEWBT-UHFFFAOYSA-N 0 0 196.206 1.120 10 0 ADAERN C/C=C(\C)C(=O)O[C@@H](C)CNC(C)=O 761014595 582808738 /nfs/dbraw/zinc/80/87/38/582808738.db2.gz BAWBBEHWSKQKMN-IVGLGHLBSA-N 0 0 199.250 1.020 10 0 ADAERN C/C=C(/C)C(=O)O[C@@H](C)CNC(C)=O 761014597 582808981 /nfs/dbraw/zinc/80/89/81/582808981.db2.gz BAWBBEHWSKQKMN-TVSKSKRASA-N 0 0 199.250 1.020 10 0 ADAERN Cc1nc(CN2CC[C@H]3C[C@H]32)oc1C 761084824 582809069 /nfs/dbraw/zinc/80/90/69/582809069.db2.gz MCPVEDQEUUHOTR-VHSXEESVSA-N 0 0 192.262 1.886 10 0 ADAERN CCc1cnc(CN2CC[C@@H]3C[C@@H]32)o1 761079096 582809077 /nfs/dbraw/zinc/80/90/77/582809077.db2.gz BEZXCQVHMFPEJT-SCZZXKLOSA-N 0 0 192.262 1.831 10 0 ADAERN CCc1cnc(CN2CC[C@H]3C[C@H]32)o1 761079105 582809137 /nfs/dbraw/zinc/80/91/37/582809137.db2.gz BEZXCQVHMFPEJT-WCBMZHEXSA-N 0 0 192.262 1.831 10 0 ADAERN Cc1nc(CN2CC[C@@H]3C[C@@H]32)oc1C 761084828 582809204 /nfs/dbraw/zinc/80/92/04/582809204.db2.gz MCPVEDQEUUHOTR-ZJUUUORDSA-N 0 0 192.262 1.886 10 0 ADAERN Cc1cnc(CN2CC[C@H]3C[C@H]32)o1 761085786 582809211 /nfs/dbraw/zinc/80/92/11/582809211.db2.gz NIUYMODTGPILBE-DTWKUNHWSA-N 0 0 178.235 1.577 10 0 ADAERN C/C=C(/C)C(=O)O[C@H](C)CNC(C)=O 761014594 582809301 /nfs/dbraw/zinc/80/93/01/582809301.db2.gz BAWBBEHWSKQKMN-GRKOMRHMSA-N 0 0 199.250 1.020 10 0 ADAERN C/C=C(\C)C(=O)O[C@H](C)CNC(C)=O 761014598 582809320 /nfs/dbraw/zinc/80/93/20/582809320.db2.gz BAWBBEHWSKQKMN-WVXIBAHESA-N 0 0 199.250 1.020 10 0 ADAERN Cc1cnc(CN2CC[C@@H]3C[C@@H]32)o1 761085756 582809729 /nfs/dbraw/zinc/80/97/29/582809729.db2.gz NIUYMODTGPILBE-BDAKNGLRSA-N 0 0 178.235 1.577 10 0 ADAERN CCCOC(=O)[C@H](C)N1CC[C@@H]2C[C@@H]21 761086036 582809885 /nfs/dbraw/zinc/80/98/85/582809885.db2.gz BNBAINNWCRYDNY-AEJSXWLSSA-N 0 0 197.278 1.422 10 0 ADAERN Cc1cc(CN2CC[C@@H]3C[C@@H]32)no1 761086519 582810095 /nfs/dbraw/zinc/81/00/95/582810095.db2.gz DIPIEXRRHVPHKM-SCZZXKLOSA-N 0 0 178.235 1.577 10 0 ADAERN Cc1cc(CN2CC[C@H]3C[C@H]32)no1 761086522 582810150 /nfs/dbraw/zinc/81/01/50/582810150.db2.gz DIPIEXRRHVPHKM-WCBMZHEXSA-N 0 0 178.235 1.577 10 0 ADAERN CC/C=C/COC(=O)c1cncnc1 761092882 582810282 /nfs/dbraw/zinc/81/02/82/582810282.db2.gz JGODKMMYDHCDPJ-ONEGZZNKSA-N 0 0 192.218 1.600 10 0 ADAERN CC/C=C\COC(=O)c1cncnc1 761092881 582810499 /nfs/dbraw/zinc/81/04/99/582810499.db2.gz JGODKMMYDHCDPJ-ARJAWSKDSA-N 0 0 192.218 1.600 10 0 ADAERN CC(C)[C@H](C)OC(=O)c1cncnc1 761114434 582810535 /nfs/dbraw/zinc/81/05/35/582810535.db2.gz QDLFDYLNKPJZBP-QMMMGPOBSA-N 0 0 194.234 1.678 10 0 ADAERN CCCOC(=O)[C@H](C)N1CC[C@H]2C[C@H]21 761086039 582810561 /nfs/dbraw/zinc/81/05/61/582810561.db2.gz BNBAINNWCRYDNY-LPEHRKFASA-N 0 0 197.278 1.422 10 0 ADAERN C[C@H]1C[C@H]1COC(=O)c1cncnc1 761106823 582810864 /nfs/dbraw/zinc/81/08/64/582810864.db2.gz UATZKGFFNKRBIL-YUMQZZPRSA-N 0 0 192.218 1.289 10 0 ADAERN O=C(O[C@@H]1C=CCC1)c1cncnc1 761165305 582810897 /nfs/dbraw/zinc/81/08/97/582810897.db2.gz HLSMWKCHIPCMRN-SECBINFHSA-N 0 0 190.202 1.352 10 0 ADAERN CNC(=O)c1c[nH]c2cccc(F)c12 761190530 582810903 /nfs/dbraw/zinc/81/09/03/582810903.db2.gz GALDHTUQLVZXCR-UHFFFAOYSA-N 0 0 192.193 1.667 10 0 ADAERN Cc1nnc([C@H](C)N2CC[C@@H]3C[C@@H]32)o1 761099196 582810916 /nfs/dbraw/zinc/81/09/16/582810916.db2.gz VUVIYDMYCSPOGA-ZQARSLAVSA-N 0 0 193.250 1.533 10 0 ADAERN Cn1ccnc1CN1CC[C@@H]2C[C@@H]21 761097874 582810933 /nfs/dbraw/zinc/81/09/33/582810933.db2.gz WANZVNZKFODKHE-BDAKNGLRSA-N 0 0 177.251 1.014 10 0 ADAERN Cc1cc(CN2CC[C@H]3C[C@H]32)nn1C 761098095 582810947 /nfs/dbraw/zinc/81/09/47/582810947.db2.gz UKAXRGRDELQNJA-GXSJLCMTSA-N 0 0 191.278 1.323 10 0 ADAERN CCc1noc(CN2CC[C@H]3C[C@H]32)n1 761099154 582811053 /nfs/dbraw/zinc/81/10/53/582811053.db2.gz VLXQFFYYOMJWPM-JGVFFNPUSA-N 0 0 193.250 1.226 10 0 ADAERN CC(C)[C@@H](C)OC(=O)c1cncnc1 761114432 582811069 /nfs/dbraw/zinc/81/10/69/582811069.db2.gz QDLFDYLNKPJZBP-MRVPVSSYSA-N 0 0 194.234 1.678 10 0 ADAERN CCc1noc(CN2CC[C@@H]3C[C@@H]32)n1 761099155 582811078 /nfs/dbraw/zinc/81/10/78/582811078.db2.gz VLXQFFYYOMJWPM-SFYZADRCSA-N 0 0 193.250 1.226 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)c1cncnc1 761106816 582811103 /nfs/dbraw/zinc/81/11/03/582811103.db2.gz UATZKGFFNKRBIL-HTQZYQBOSA-N 0 0 192.218 1.289 10 0 ADAERN Cc1ccnc(CN2CC[C@@H]3C[C@@H]32)n1 761101422 582811111 /nfs/dbraw/zinc/81/11/11/582811111.db2.gz XLBACKSYRXDWPD-ZJUUUORDSA-N 0 0 189.262 1.379 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)c1cncnc1 761106821 582811172 /nfs/dbraw/zinc/81/11/72/582811172.db2.gz UATZKGFFNKRBIL-SFYZADRCSA-N 0 0 192.218 1.289 10 0 ADAERN CC1(OC(=O)c2cncnc2)CCC1 761114684 582811203 /nfs/dbraw/zinc/81/12/03/582811203.db2.gz JAIOEOGGTANSBK-UHFFFAOYSA-N 0 0 192.218 1.576 10 0 ADAERN Cn1ccnc1CN1CC[C@H]2C[C@H]21 761097877 582811263 /nfs/dbraw/zinc/81/12/63/582811263.db2.gz WANZVNZKFODKHE-DTWKUNHWSA-N 0 0 177.251 1.014 10 0 ADAERN Cc1noc([C@H](C)N2CC[C@@H]3C[C@@H]32)n1 761101404 582811283 /nfs/dbraw/zinc/81/12/83/582811283.db2.gz YLWSNXJIPSEPEY-ZQARSLAVSA-N 0 0 193.250 1.533 10 0 ADAERN Cc1ccnc(CN2CC[C@H]3C[C@H]32)n1 761101417 582811343 /nfs/dbraw/zinc/81/13/43/582811343.db2.gz XLBACKSYRXDWPD-VHSXEESVSA-N 0 0 189.262 1.379 10 0 ADAERN Cc1nnc([C@H](C)N2CC[C@H]3C[C@H]32)o1 761099189 582811383 /nfs/dbraw/zinc/81/13/83/582811383.db2.gz VUVIYDMYCSPOGA-CNUIFLNQSA-N 0 0 193.250 1.533 10 0 ADAERN Cc1noc([C@H](C)N2CC[C@H]3C[C@H]32)n1 761101395 582811406 /nfs/dbraw/zinc/81/14/06/582811406.db2.gz YLWSNXJIPSEPEY-CNUIFLNQSA-N 0 0 193.250 1.533 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)c1cncnc1 761106818 582811420 /nfs/dbraw/zinc/81/14/20/582811420.db2.gz UATZKGFFNKRBIL-JGVFFNPUSA-N 0 0 192.218 1.289 10 0 ADAERN O=C(O[C@H]1C=CCC1)c1cncnc1 761165306 582811484 /nfs/dbraw/zinc/81/14/84/582811484.db2.gz HLSMWKCHIPCMRN-VIFPVBQESA-N 0 0 190.202 1.352 10 0 ADAERN CC(C)(C)COC(=O)c1cncnc1 761112365 582811517 /nfs/dbraw/zinc/81/15/17/582811517.db2.gz RYMNTNAIGCQPMM-UHFFFAOYSA-N 0 0 194.234 1.680 10 0 ADAERN O=C(C=C1CCC1)O[C@H]1CCCOC1 761340662 582812081 /nfs/dbraw/zinc/81/20/81/582812081.db2.gz LOHMAWMEXRVSGY-JTQLQIEISA-N 0 0 196.246 1.819 10 0 ADAERN Cc1cc(CN2CC[C@@H]3C[C@@H]32)nn1C 761098099 582811663 /nfs/dbraw/zinc/81/16/63/582811663.db2.gz UKAXRGRDELQNJA-KOLCDFICSA-N 0 0 191.278 1.323 10 0 ADAERN C[C@H](C(=O)O[C@H]1CCCOC1)C1CC1 761321948 582811946 /nfs/dbraw/zinc/81/19/46/582811946.db2.gz NZXPVFUFSZHWPV-WPRPVWTQSA-N 0 0 198.262 1.755 10 0 ADAERN O=C(O[C@H]1CCCOC1)C1CC=CC1 761354266 582811960 /nfs/dbraw/zinc/81/19/60/582811960.db2.gz SVKSSNLKGRQUCC-JTQLQIEISA-N 0 0 196.246 1.675 10 0 ADAERN O=C(O[C@H]1CCCOC1)c1ccoc1 761325110 582811977 /nfs/dbraw/zinc/81/19/77/582811977.db2.gz JHDVBLLCIFFRPR-VIFPVBQESA-N 0 0 196.202 1.615 10 0 ADAERN CC[C@@H](C)C(=O)COC(=O)C1(C)CC1 761435337 582811982 /nfs/dbraw/zinc/81/19/82/582811982.db2.gz QUCZDMQBVFIRLX-MRVPVSSYSA-N 0 0 198.262 1.945 10 0 ADAERN O=C(O[C@H]1CCCOC1)c1cocn1 761334712 582811988 /nfs/dbraw/zinc/81/19/88/582811988.db2.gz NWAYYOQMOHMWMC-ZETCQYMHSA-N 0 0 197.190 1.010 10 0 ADAERN CC[C@H](C)C(=O)COC(=O)C1(C)CC1 761435339 582811992 /nfs/dbraw/zinc/81/19/92/582811992.db2.gz QUCZDMQBVFIRLX-QMMMGPOBSA-N 0 0 198.262 1.945 10 0 ADAERN CCC1(C(=O)O[C@@H]2CCCOC2)CC1 761359501 582811995 /nfs/dbraw/zinc/81/19/95/582811995.db2.gz QDVOAVBNRPJZSJ-SECBINFHSA-N 0 0 198.262 1.899 10 0 ADAERN O=C(O[C@H]1CCCOC1)C1=CCCC1 761360917 582812107 /nfs/dbraw/zinc/81/21/07/582812107.db2.gz SYUKCEMAPUYGCX-JTQLQIEISA-N 0 0 196.246 1.819 10 0 ADAERN CC1(C(=O)O[C@H]2CCCOC2)CCC1 761319933 582812028 /nfs/dbraw/zinc/81/20/28/582812028.db2.gz HEKURSGOIYSEIU-VIFPVBQESA-N 0 0 198.262 1.899 10 0 ADAERN C[C@@H](C(=O)O[C@H]1CCCOC1)C1CC1 761321943 582812043 /nfs/dbraw/zinc/81/20/43/582812043.db2.gz NZXPVFUFSZHWPV-SCZZXKLOSA-N 0 0 198.262 1.755 10 0 ADAERN O=C(O[C@@H]1CCCOC1)c1cocn1 761334709 582812049 /nfs/dbraw/zinc/81/20/49/582812049.db2.gz NWAYYOQMOHMWMC-SSDOTTSWSA-N 0 0 197.190 1.010 10 0 ADAERN O=C(/C=C/C1CC1)O[C@@H]1CCCOC1 761334129 582812063 /nfs/dbraw/zinc/81/20/63/582812063.db2.gz BBKQTZLSHAEFEL-BRAIEQGRSA-N 0 0 196.246 1.675 10 0 ADAERN CC(C)c1noc(-c2ccnnc2)n1 761342663 582812118 /nfs/dbraw/zinc/81/21/18/582812118.db2.gz VXTJMHQLAQZMLW-UHFFFAOYSA-N 0 0 190.206 1.650 10 0 ADAERN O=C(CC1CCC1)O[C@H]1CCCOC1 761357906 582812136 /nfs/dbraw/zinc/81/21/36/582812136.db2.gz PKDRULHXGOZLPZ-JTQLQIEISA-N 0 0 198.262 1.899 10 0 ADAERN O=C(O[C@@H]1CCCOC1)C1CC=CC1 761354267 582812172 /nfs/dbraw/zinc/81/21/72/582812172.db2.gz SVKSSNLKGRQUCC-SNVBAGLBSA-N 0 0 196.246 1.675 10 0 ADAERN C[C@H](C(=O)O[C@@H]1CCCOC1)C1CC1 761321945 582812204 /nfs/dbraw/zinc/81/22/04/582812204.db2.gz NZXPVFUFSZHWPV-WCBMZHEXSA-N 0 0 198.262 1.755 10 0 ADAERN CC1(C(=O)OCCOCC2CC2)CC1 761430925 582812213 /nfs/dbraw/zinc/81/22/13/582812213.db2.gz GATVUFQISVFPJO-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN C[C@@H](C(=O)O[C@@H]1CCCOC1)C1CC1 761321942 582812287 /nfs/dbraw/zinc/81/22/87/582812287.db2.gz NZXPVFUFSZHWPV-PSASIEDQSA-N 0 0 198.262 1.755 10 0 ADAERN O=C(O[C@@H]1CCCOC1)c1ccoc1 761325108 582812374 /nfs/dbraw/zinc/81/23/74/582812374.db2.gz JHDVBLLCIFFRPR-SECBINFHSA-N 0 0 196.202 1.615 10 0 ADAERN O=C(O[C@@H]1CCCOC1)C1=COCC1 761352973 582812377 /nfs/dbraw/zinc/81/23/77/582812377.db2.gz TXCVPQBOYWPQJW-SECBINFHSA-N 0 0 198.218 1.013 10 0 ADAERN O=C(O[C@H]1CCCOC1)c1ccco1 761322622 582812400 /nfs/dbraw/zinc/81/24/00/582812400.db2.gz PZGWZKFAUFGHJD-QMMMGPOBSA-N 0 0 196.202 1.615 10 0 ADAERN O=C(/C=C/C1CC1)O[C@H]1CCCOC1 761334139 582812415 /nfs/dbraw/zinc/81/24/15/582812415.db2.gz BBKQTZLSHAEFEL-PORFMDCZSA-N 0 0 196.246 1.675 10 0 ADAERN O=C(O[C@@H]1CCCOC1)c1ccco1 761322621 582812434 /nfs/dbraw/zinc/81/24/34/582812434.db2.gz PZGWZKFAUFGHJD-MRVPVSSYSA-N 0 0 196.202 1.615 10 0 ADAERN O=C(CCC1CC1)O[C@@H]1CCCOC1 761352123 582812445 /nfs/dbraw/zinc/81/24/45/582812445.db2.gz SDFGNHMMAYGNMB-SNVBAGLBSA-N 0 0 198.262 1.899 10 0 ADAERN O=C(/C=C\C1CC1)O[C@H]1CCCOC1 761334134 582812466 /nfs/dbraw/zinc/81/24/66/582812466.db2.gz BBKQTZLSHAEFEL-OMMCCPJFSA-N 0 0 196.246 1.675 10 0 ADAERN O=C(C=C1CCC1)O[C@@H]1CCCOC1 761340663 582812522 /nfs/dbraw/zinc/81/25/22/582812522.db2.gz LOHMAWMEXRVSGY-SNVBAGLBSA-N 0 0 196.246 1.819 10 0 ADAERN CCc1oc(C(=O)OCCO)cc1C 761407859 582812534 /nfs/dbraw/zinc/81/25/34/582812534.db2.gz MKGUJDQYKNBMAU-UHFFFAOYSA-N 0 0 198.218 1.300 10 0 ADAERN O=C(CC1CCC1)O[C@@H]1CCCOC1 761357909 582812540 /nfs/dbraw/zinc/81/25/40/582812540.db2.gz PKDRULHXGOZLPZ-SNVBAGLBSA-N 0 0 198.262 1.899 10 0 ADAERN CC1(C(=O)OC[C@@]2(C)CCCO2)CC1 761280627 582812571 /nfs/dbraw/zinc/81/25/71/582812571.db2.gz JWCOIGFDMZHWEB-LLVKDONJSA-N 0 0 198.262 1.899 10 0 ADAERN CC1(C(=O)OC[C@]2(C)CCCO2)CC1 761280628 582812590 /nfs/dbraw/zinc/81/25/90/582812590.db2.gz JWCOIGFDMZHWEB-NSHDSACASA-N 0 0 198.262 1.899 10 0 ADAERN O=C(O[C@@H]1CCCOC1)C1=CCCC1 761360919 582812607 /nfs/dbraw/zinc/81/26/07/582812607.db2.gz SYUKCEMAPUYGCX-SNVBAGLBSA-N 0 0 196.246 1.819 10 0 ADAERN O=C(CCC1CC1)O[C@H]1CCCOC1 761352122 582812689 /nfs/dbraw/zinc/81/26/89/582812689.db2.gz SDFGNHMMAYGNMB-JTQLQIEISA-N 0 0 198.262 1.899 10 0 ADAERN CCC1(C(=O)O[C@H]2CCCOC2)CC1 761359502 582812695 /nfs/dbraw/zinc/81/26/95/582812695.db2.gz QDVOAVBNRPJZSJ-VIFPVBQESA-N 0 0 198.262 1.899 10 0 ADAERN O=C(O[C@H]1CCCOC1)C1CCCC1 761358525 582812701 /nfs/dbraw/zinc/81/27/01/582812701.db2.gz OWYSLJGRAXXKAV-JTQLQIEISA-N 0 0 198.262 1.899 10 0 ADAERN CC1(C(=O)O[C@@H]2CCCOC2)CCC1 761319932 582812708 /nfs/dbraw/zinc/81/27/08/582812708.db2.gz HEKURSGOIYSEIU-SECBINFHSA-N 0 0 198.262 1.899 10 0 ADAERN O=C(O[C@H]1CCCOC1)C1=COCC1 761352976 582812726 /nfs/dbraw/zinc/81/27/26/582812726.db2.gz TXCVPQBOYWPQJW-VIFPVBQESA-N 0 0 198.218 1.013 10 0 ADAERN O=C(/C=C\C1CC1)O[C@@H]1CCCOC1 761334146 582812732 /nfs/dbraw/zinc/81/27/32/582812732.db2.gz BBKQTZLSHAEFEL-WWQCOOJYSA-N 0 0 196.246 1.675 10 0 ADAERN CCC(CC)OC(=O)c1ccnnc1 762081889 582814219 /nfs/dbraw/zinc/81/42/19/582814219.db2.gz ONUMPQNKKLUECJ-UHFFFAOYSA-N 0 0 194.234 1.822 10 0 ADAERN Cc1cc(=O)[nH]c(CN(C)C2CC2)n1 761864667 582813261 /nfs/dbraw/zinc/81/32/61/582813261.db2.gz QOJDMQBGQZLKNS-UHFFFAOYSA-N 0 0 193.250 1.085 10 0 ADAERN O=C(OCC(=O)C1CC1)C1=CCCC1 761564552 582813457 /nfs/dbraw/zinc/81/34/57/582813457.db2.gz VGRFRNUCBIPBTP-UHFFFAOYSA-N 0 0 194.230 1.619 10 0 ADAERN CC(C)C(=O)COC(=O)C1=CCCC1 761545464 582813601 /nfs/dbraw/zinc/81/36/01/582813601.db2.gz HUTPREOJHRKMKY-UHFFFAOYSA-N 0 0 196.246 1.865 10 0 ADAERN CC1(C)CCN1C(=O)c1ccnnc1 761772680 582813763 /nfs/dbraw/zinc/81/37/63/582813763.db2.gz KGOHYPYBTVMQPS-UHFFFAOYSA-N 0 0 191.234 1.101 10 0 ADAERN O=C(OCCC1CC1)c1ccnnc1 762065441 582814142 /nfs/dbraw/zinc/81/41/42/582814142.db2.gz TWXVHNZUCRGVDI-UHFFFAOYSA-N 0 0 192.218 1.434 10 0 ADAERN CCCCCOC(=O)c1ccnnc1 762040016 582814182 /nfs/dbraw/zinc/81/41/82/582814182.db2.gz FWWINHDKIXWROD-UHFFFAOYSA-N 0 0 194.234 1.824 10 0 ADAERN CCC(CC)OC(=O)c1cnccn1 762110157 582814247 /nfs/dbraw/zinc/81/42/47/582814247.db2.gz ABYSXGXUEQLXQE-UHFFFAOYSA-N 0 0 194.234 1.822 10 0 ADAERN CC(C)[C@H](C)OC(=O)c1ccnnc1 762080857 582814254 /nfs/dbraw/zinc/81/42/54/582814254.db2.gz JEGSDQKZHAOJEK-QMMMGPOBSA-N 0 0 194.234 1.678 10 0 ADAERN CO[C@H](C)Cc1nc([C@H]2C[C@@H]2C)no1 762250660 582814402 /nfs/dbraw/zinc/81/44/02/582814402.db2.gz FKTPDVZKQQUUDK-RNJXMRFFSA-N 0 0 196.250 1.770 10 0 ADAERN CC(C)[C@@H](C)OC(=O)c1ccnnc1 762080856 582814463 /nfs/dbraw/zinc/81/44/63/582814463.db2.gz JEGSDQKZHAOJEK-MRVPVSSYSA-N 0 0 194.234 1.678 10 0 ADAERN COCC(=O)OCc1cnccc1C 762111826 582814466 /nfs/dbraw/zinc/81/44/66/582814466.db2.gz JPJFOZVGVPCOKM-UHFFFAOYSA-N 0 0 195.218 1.080 10 0 ADAERN O=C(OC1CCCC1)c1ccnnc1 762053065 582814471 /nfs/dbraw/zinc/81/44/71/582814471.db2.gz VWKPVQNDAJLEJY-UHFFFAOYSA-N 0 0 192.218 1.576 10 0 ADAERN O=C(OCC1CCC1)c1ccnnc1 762063219 582814486 /nfs/dbraw/zinc/81/44/86/582814486.db2.gz DLLISKPUEZQDNI-UHFFFAOYSA-N 0 0 192.218 1.434 10 0 ADAERN CCC(CC)OC(=O)Cn1cccn1 762107730 582814528 /nfs/dbraw/zinc/81/45/28/582814528.db2.gz HEFCBRWBQIQQRZ-UHFFFAOYSA-N 0 0 196.250 1.615 10 0 ADAERN CO[C@H](C)Cc1nc([C@H]2C[C@H]2C)no1 762250659 582814546 /nfs/dbraw/zinc/81/45/46/582814546.db2.gz FKTPDVZKQQUUDK-PRJMDXOYSA-N 0 0 196.250 1.770 10 0 ADAERN CO[C@H](C)Cc1nc([C@@H]2C[C@@H]2C)no1 762250661 582814591 /nfs/dbraw/zinc/81/45/91/582814591.db2.gz FKTPDVZKQQUUDK-XLPZGREQSA-N 0 0 196.250 1.770 10 0 ADAERN Cc1ccncc1COC(=O)C1CC1 762128702 582814705 /nfs/dbraw/zinc/81/47/05/582814705.db2.gz OIBXKBRZKMQXEU-UHFFFAOYSA-N 0 0 191.230 1.843 10 0 ADAERN CCC[C@@H](O)CNC(=O)/C=C/C1CC1 762426414 582814981 /nfs/dbraw/zinc/81/49/81/582814981.db2.gz QLFSLANQTNFKBM-VQCYPWCPSA-N 0 0 197.278 1.230 10 0 ADAERN CCCCCC[C@H](O)Cn1cnnc1 762423921 582815261 /nfs/dbraw/zinc/81/52/61/582815261.db2.gz IDCAWCOXGJWJTL-JTQLQIEISA-N 0 0 197.282 1.609 10 0 ADAERN CCC[C@@H](O)CNC(=O)/C=C\C1CC1 762426410 582815302 /nfs/dbraw/zinc/81/53/02/582815302.db2.gz QLFSLANQTNFKBM-JYESYGNLSA-N 0 0 197.278 1.230 10 0 ADAERN CCC[C@H](O)CNC(=O)/C=C/C1CC1 762426397 582815424 /nfs/dbraw/zinc/81/54/24/582815424.db2.gz QLFSLANQTNFKBM-FGEFZZPRSA-N 0 0 197.278 1.230 10 0 ADAERN CCC[C@H](O)CNC(=O)/C=C\C1CC1 762426401 582815507 /nfs/dbraw/zinc/81/55/07/582815507.db2.gz QLFSLANQTNFKBM-GFVADAIESA-N 0 0 197.278 1.230 10 0 ADAERN CO[C@H](C)Cc1nc([C@@H]2C[C@H]2C)no1 762250658 582815576 /nfs/dbraw/zinc/81/55/76/582815576.db2.gz FKTPDVZKQQUUDK-BWZBUEFSSA-N 0 0 196.250 1.770 10 0 ADAERN O=C(NN1CCCC1)C1=CCCCC1 839794987 582815858 /nfs/dbraw/zinc/81/58/58/582815858.db2.gz FXDPPTMPQLYMPH-UHFFFAOYSA-N 0 0 194.278 1.614 10 0 ADAERN C/C=C(\C)C(=O)N[C@@H]1CCOC[C@@H]1C 762695618 582815955 /nfs/dbraw/zinc/81/59/55/582815955.db2.gz MEPMPRGBYJDFID-GNKRQNHBSA-N 0 0 197.278 1.494 10 0 ADAERN CCC[C@@H]1C[C@H]1C(=O)NN1CCCC1 839795048 582815967 /nfs/dbraw/zinc/81/59/67/582815967.db2.gz ILSOHJIGQKPCDM-NXEZZACHSA-N 0 0 196.294 1.550 10 0 ADAERN C/C=C(\C)C(=O)N[C@@H]1CCOC[C@H]1C 762695619 582816171 /nfs/dbraw/zinc/81/61/71/582816171.db2.gz MEPMPRGBYJDFID-PSVJHUJZSA-N 0 0 197.278 1.494 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CCOC[C@H]1C 762695620 582816250 /nfs/dbraw/zinc/81/62/50/582816250.db2.gz MEPMPRGBYJDFID-QPGUZKIZSA-N 0 0 197.278 1.494 10 0 ADAERN O=C(CCCC1CC1)NN1CCCC1 839794873 582816274 /nfs/dbraw/zinc/81/62/74/582816274.db2.gz AXRYIAOYNBGNEQ-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CCOC[C@@H]1C 762695621 582816373 /nfs/dbraw/zinc/81/63/73/582816373.db2.gz MEPMPRGBYJDFID-YXCTTXFESA-N 0 0 197.278 1.494 10 0 ADAERN Cc1c[nH]cc1C(=O)NN1CCCC1 839794798 582816382 /nfs/dbraw/zinc/81/63/82/582816382.db2.gz XTWUQQIYUBAARG-UHFFFAOYSA-N 0 0 193.250 1.064 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)NN1CCCC1 839795335 582816625 /nfs/dbraw/zinc/81/66/25/582816625.db2.gz MPCOCBLIHPICEJ-RKDXNWHRSA-N 0 0 182.267 1.160 10 0 ADAERN C[C@H]1CC[C@H](C(=O)NN2CCCC2)C1 839795375 582816764 /nfs/dbraw/zinc/81/67/64/582816764.db2.gz KOXYKBLBNGPOEF-UWVGGRQHSA-N 0 0 196.294 1.550 10 0 ADAERN COC(=O)Oc1ccccc1F 221720784 582816886 /nfs/dbraw/zinc/81/68/86/582816886.db2.gz DHXNHBALTGZEEK-UHFFFAOYSA-N 0 0 170.139 1.971 10 0 ADAERN CC(C)C(=O)Nc1ccnc(CO)c1 763241017 582817194 /nfs/dbraw/zinc/81/71/94/582817194.db2.gz SLEANSBUARCEDZ-UHFFFAOYSA-N 0 0 194.234 1.168 10 0 ADAERN CC(C)C(C)(C)C(=O)NN1CCCC1 839795654 582817203 /nfs/dbraw/zinc/81/72/03/582817203.db2.gz QYZHLCCVXWOJQM-UHFFFAOYSA-N 0 0 198.310 1.796 10 0 ADAERN NC(=NOCC1CC1)c1cccnc1 763179556 582817225 /nfs/dbraw/zinc/81/72/25/582817225.db2.gz INKGCPBJFHSKMJ-UHFFFAOYSA-N 0 0 191.234 1.338 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)NN2CCCC2)C1 839795374 582817272 /nfs/dbraw/zinc/81/72/72/582817272.db2.gz KOXYKBLBNGPOEF-NXEZZACHSA-N 0 0 196.294 1.550 10 0 ADAERN C[C@@H](C(=O)NN1CCCC1)C1CCC1 839795325 582817425 /nfs/dbraw/zinc/81/74/25/582817425.db2.gz MDUBMNPHJQWZQX-SECBINFHSA-N 0 0 196.294 1.550 10 0 ADAERN C[C@H](C(=O)NN1CCCC1)C1CCC1 839795326 582817512 /nfs/dbraw/zinc/81/75/12/582817512.db2.gz MDUBMNPHJQWZQX-VIFPVBQESA-N 0 0 196.294 1.550 10 0 ADAERN CC(C)C[C@@H](C)C(=O)NN1CCCC1 839795919 582817539 /nfs/dbraw/zinc/81/75/39/582817539.db2.gz WQENAZSMHMXHPW-SNVBAGLBSA-N 0 0 198.310 1.796 10 0 ADAERN O=C(CCC1CCC1)Nc1cn[nH]n1 763191416 582817562 /nfs/dbraw/zinc/81/75/62/582817562.db2.gz BKFLWENLZXPLHO-UHFFFAOYSA-N 0 0 194.238 1.324 10 0 ADAERN CC(C)C[C@H](C)C(=O)NN1CCCC1 839795917 582817659 /nfs/dbraw/zinc/81/76/59/582817659.db2.gz WQENAZSMHMXHPW-JTQLQIEISA-N 0 0 198.310 1.796 10 0 ADAERN CCC(C)(CC)C(=O)NN1CCCC1 839795586 582817690 /nfs/dbraw/zinc/81/76/90/582817690.db2.gz OIVOYZFIOVYEFQ-UHFFFAOYSA-N 0 0 198.310 1.940 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)NN2CCCC2)C1 839795376 582817703 /nfs/dbraw/zinc/81/77/03/582817703.db2.gz KOXYKBLBNGPOEF-VHSXEESVSA-N 0 0 196.294 1.550 10 0 ADAERN CC[C@H](C)CCC(=O)NN1CCCC1 839795969 582818248 /nfs/dbraw/zinc/81/82/48/582818248.db2.gz XWUZTVRNALLBNL-JTQLQIEISA-N 0 0 198.310 1.940 10 0 ADAERN O=C(NN1CCCC1)[C@H]1C[C@@H]1C1CC1 839795509 582817722 /nfs/dbraw/zinc/81/77/22/582817722.db2.gz PFLHODJHBTVDOU-ZJUUUORDSA-N 0 0 194.278 1.160 10 0 ADAERN CC(C)CCCC(=O)NN1CCCC1 839795671 582817748 /nfs/dbraw/zinc/81/77/48/582817748.db2.gz RSZYMTPIJNJGIS-UHFFFAOYSA-N 0 0 198.310 1.940 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)NN2CCCC2)C1 839795377 582817766 /nfs/dbraw/zinc/81/77/66/582817766.db2.gz KOXYKBLBNGPOEF-ZJUUUORDSA-N 0 0 196.294 1.550 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)NN1CCCC1 839796087 582819418 /nfs/dbraw/zinc/81/94/18/582819418.db2.gz ZTNIVILCAKKXNS-UWVGGRQHSA-N 0 0 196.294 1.406 10 0 ADAERN C[C@@H](CCCO)NC(=O)/C=C\C1CC1 763488312 582818374 /nfs/dbraw/zinc/81/83/74/582818374.db2.gz ZDOGVABGZSJWMA-NMTCXDENSA-N 0 0 197.278 1.230 10 0 ADAERN CC(C)[C@H](C)OC(=O)Cn1cccn1 763553800 582819425 /nfs/dbraw/zinc/81/94/25/582819425.db2.gz NRKDHEMRDQIBGB-VIFPVBQESA-N 0 0 196.250 1.471 10 0 ADAERN C[C@@H](OC(=O)c1ccn(C)c1)C1CC1 763493668 582818410 /nfs/dbraw/zinc/81/84/10/582818410.db2.gz WGBYTCAQSPWSHD-MRVPVSSYSA-N 0 0 193.246 1.980 10 0 ADAERN C[C@H](CCCO)NC(=O)/C=C/C1CC1 763488316 582818473 /nfs/dbraw/zinc/81/84/73/582818473.db2.gz ZDOGVABGZSJWMA-XCODYQFDSA-N 0 0 197.278 1.230 10 0 ADAERN CC[C@@H](C)CCC(=O)NN1CCCC1 839795970 582818565 /nfs/dbraw/zinc/81/85/65/582818565.db2.gz XWUZTVRNALLBNL-SNVBAGLBSA-N 0 0 198.310 1.940 10 0 ADAERN C[C@H](OC(=O)[C@@]1(C)CCCO1)C1CC1 764399643 582822122 /nfs/dbraw/zinc/82/21/22/582822122.db2.gz HZISEAHOAJMKHQ-GZMMTYOYSA-N 0 0 198.262 1.897 10 0 ADAERN CONC(=O)c1c(C(C)C)n[nH]c1C 763275858 582818674 /nfs/dbraw/zinc/81/86/74/582818674.db2.gz LMRICURLBBQOPA-UHFFFAOYSA-N 0 0 197.238 1.133 10 0 ADAERN C[C@H](OC(=O)c1ccn(C)c1)C1CC1 763493669 582818698 /nfs/dbraw/zinc/81/86/98/582818698.db2.gz WGBYTCAQSPWSHD-QMMMGPOBSA-N 0 0 193.246 1.980 10 0 ADAERN C[C@H](CCCO)NC(=O)/C=C\C1CC1 763488309 582818711 /nfs/dbraw/zinc/81/87/11/582818711.db2.gz ZDOGVABGZSJWMA-ATJFRQLMSA-N 0 0 197.278 1.230 10 0 ADAERN CC1(CC(=O)NN2CCCC2)CC1 839795875 582818735 /nfs/dbraw/zinc/81/87/35/582818735.db2.gz VAYDMZWREGQIQI-UHFFFAOYSA-N 0 0 182.267 1.304 10 0 ADAERN C1CCC(C2(Nc3nnn[n-]3)CC2)C1 952960127 1442205480 /nfs/dbraw/zinc/20/54/80/1442205480.db2.gz SZKYGPDXLYKJMJ-UHFFFAOYSA-N 0 0 193.254 1.334 10 0 ADAERN CC(C)[C@@H]1C[C@H]1C(=O)NN1CCCC1 839796088 582819017 /nfs/dbraw/zinc/81/90/17/582819017.db2.gz ZTNIVILCAKKXNS-VHSXEESVSA-N 0 0 196.294 1.406 10 0 ADAERN C[C@H]1C[C@H]1COC(=O)c1ccn(C)c1 763496816 582819031 /nfs/dbraw/zinc/81/90/31/582819031.db2.gz XAMMSAAICHTPJV-WPRPVWTQSA-N 0 0 193.246 1.838 10 0 ADAERN CCC1(C(=O)NN2CCCC2)CC1 839796154 582819038 /nfs/dbraw/zinc/81/90/38/582819038.db2.gz CAKWGADXXDMEDU-UHFFFAOYSA-N 0 0 182.267 1.304 10 0 ADAERN CC(C)[C@H]1C[C@@H]1C(=O)NN1CCCC1 839796089 582819047 /nfs/dbraw/zinc/81/90/47/582819047.db2.gz ZTNIVILCAKKXNS-ZJUUUORDSA-N 0 0 196.294 1.406 10 0 ADAERN Cc1cc(C(=O)O[C@H](C)C(C)C)n[nH]1 763551235 582819101 /nfs/dbraw/zinc/81/91/01/582819101.db2.gz CCTAIISKCRULKJ-MRVPVSSYSA-N 0 0 196.250 1.919 10 0 ADAERN CCO[C@H]1C[C@H](OC(C)=O)C12CCC2 763582250 582819179 /nfs/dbraw/zinc/81/91/79/582819179.db2.gz AXZMDLLXBZZSJQ-UWVGGRQHSA-N 0 0 198.262 1.897 10 0 ADAERN CC(C)[C@H](C)OC(=O)c1cnn(C)c1 763555014 582819202 /nfs/dbraw/zinc/81/92/02/582819202.db2.gz YYRJGYSOQJUYLC-QMMMGPOBSA-N 0 0 196.250 1.621 10 0 ADAERN CCO[C@@H]1C[C@@H](OC(C)=O)C12CCC2 763582249 582819257 /nfs/dbraw/zinc/81/92/57/582819257.db2.gz AXZMDLLXBZZSJQ-NXEZZACHSA-N 0 0 198.262 1.897 10 0 ADAERN CCC(C)(C)CC(=O)NN1CCCC1 839796402 582819297 /nfs/dbraw/zinc/81/92/97/582819297.db2.gz GZWLQLOIYGCCNG-UHFFFAOYSA-N 0 0 198.310 1.940 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)c1ccn(C)c1 763496815 582819305 /nfs/dbraw/zinc/81/93/05/582819305.db2.gz XAMMSAAICHTPJV-WCBMZHEXSA-N 0 0 193.246 1.838 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)c1ccn(C)c1 763496813 582819410 /nfs/dbraw/zinc/81/94/10/582819410.db2.gz XAMMSAAICHTPJV-PSASIEDQSA-N 0 0 193.246 1.838 10 0 ADAERN CCO[C@H]1C[C@@H](OC(C)=O)C12CCC2 763582252 582819322 /nfs/dbraw/zinc/81/93/22/582819322.db2.gz AXZMDLLXBZZSJQ-VHSXEESVSA-N 0 0 198.262 1.897 10 0 ADAERN C[C@@H](O)CCCNC(=O)/C=C/C1CC1 790083256 582908399 /nfs/dbraw/zinc/90/83/99/582908399.db2.gz HPMIKSDPGVTFFB-XCODYQFDSA-N 0 0 197.278 1.230 10 0 ADAERN CC(C)[C@@H](C)OC(=O)Cn1cccn1 763553796 582819394 /nfs/dbraw/zinc/81/93/94/582819394.db2.gz NRKDHEMRDQIBGB-SECBINFHSA-N 0 0 196.250 1.471 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)c1ccn(C)c1 763496814 582819414 /nfs/dbraw/zinc/81/94/14/582819414.db2.gz XAMMSAAICHTPJV-SCZZXKLOSA-N 0 0 193.246 1.838 10 0 ADAERN CCO[C@@H]1C[C@H](OC(C)=O)C12CCC2 763582253 582819403 /nfs/dbraw/zinc/81/94/03/582819403.db2.gz AXZMDLLXBZZSJQ-ZJUUUORDSA-N 0 0 198.262 1.897 10 0 ADAERN Cn1ccc(C(=O)OCCC2CC2)c1 763520352 582819454 /nfs/dbraw/zinc/81/94/54/582819454.db2.gz CVKVSCWRHLBRMV-UHFFFAOYSA-N 0 0 193.246 1.982 10 0 ADAERN CCC/C(C)=C\C(=O)NN1CCCC1 839796366 582819476 /nfs/dbraw/zinc/81/94/76/582819476.db2.gz GXZGPIRCBZOYLX-KTKRTIGZSA-N 0 0 196.294 1.860 10 0 ADAERN C[C@@H](C(=O)NN1CCCC1)C(C)(C)C 839796111 582819501 /nfs/dbraw/zinc/81/95/01/582819501.db2.gz APUSABRCNURCTP-VIFPVBQESA-N 0 0 198.310 1.796 10 0 ADAERN Cc1cc(C(=O)O[C@@H](C)C(C)C)n[nH]1 763551238 582819557 /nfs/dbraw/zinc/81/95/57/582819557.db2.gz CCTAIISKCRULKJ-QMMMGPOBSA-N 0 0 196.250 1.919 10 0 ADAERN CC(C)[C@@H](C)OC(=O)c1cnn(C)c1 763555013 582819571 /nfs/dbraw/zinc/81/95/71/582819571.db2.gz YYRJGYSOQJUYLC-MRVPVSSYSA-N 0 0 196.250 1.621 10 0 ADAERN CC(C)[C@H]1C[C@H]1C(=O)NN1CCCC1 839796086 582819586 /nfs/dbraw/zinc/81/95/86/582819586.db2.gz ZTNIVILCAKKXNS-NXEZZACHSA-N 0 0 196.294 1.406 10 0 ADAERN C[C@H](C(=O)NN1CCCC1)C(C)(C)C 839796110 582819675 /nfs/dbraw/zinc/81/96/75/582819675.db2.gz APUSABRCNURCTP-SECBINFHSA-N 0 0 198.310 1.796 10 0 ADAERN CCC/C(C)=C/C(=O)NN1CCCC1 839796367 582819714 /nfs/dbraw/zinc/81/97/14/582819714.db2.gz GXZGPIRCBZOYLX-MDZDMXLPSA-N 0 0 196.294 1.860 10 0 ADAERN O=C(OCC1CC1)c1cccc(O)c1 763862358 582820072 /nfs/dbraw/zinc/82/00/72/582820072.db2.gz LQXPEVCPZJERET-UHFFFAOYSA-N 0 0 192.214 1.959 10 0 ADAERN CC[C@@H](O)CCNC(=O)/C=C/C1CC1 763838539 582820074 /nfs/dbraw/zinc/82/00/74/582820074.db2.gz HDKCZIWWAQLWNO-BRAIEQGRSA-N 0 0 197.278 1.230 10 0 ADAERN CCC(CC)CC(=O)NN1CCCC1 839796662 582820107 /nfs/dbraw/zinc/82/01/07/582820107.db2.gz JWWZRLUCHJHUMO-UHFFFAOYSA-N 0 0 198.310 1.940 10 0 ADAERN CCC(=O)OCCCc1nc(C)no1 763864297 582820221 /nfs/dbraw/zinc/82/02/21/582820221.db2.gz IDDXVKFHKWDRNE-UHFFFAOYSA-N 0 0 198.222 1.264 10 0 ADAERN CCO[C@@H](C)C(=O)Nc1n[nH]cc1C 763788640 582820322 /nfs/dbraw/zinc/82/03/22/582820322.db2.gz XJDNXOQWDKRPKH-ZETCQYMHSA-N 0 0 197.238 1.082 10 0 ADAERN CCO[C@H](C)C(=O)Nc1n[nH]cc1C 763788638 582820392 /nfs/dbraw/zinc/82/03/92/582820392.db2.gz XJDNXOQWDKRPKH-SSDOTTSWSA-N 0 0 197.238 1.082 10 0 ADAERN CC[C@@H](O)CCNC(=O)/C=C\C1CC1 763838543 582820424 /nfs/dbraw/zinc/82/04/24/582820424.db2.gz HDKCZIWWAQLWNO-WWQCOOJYSA-N 0 0 197.278 1.230 10 0 ADAERN CC[C@H](O)CCNC(=O)/C=C/C1CC1 763838542 582820455 /nfs/dbraw/zinc/82/04/55/582820455.db2.gz HDKCZIWWAQLWNO-PORFMDCZSA-N 0 0 197.278 1.230 10 0 ADAERN CC[C@H](O)CCNC(=O)/C=C\C1CC1 763838541 582820671 /nfs/dbraw/zinc/82/06/71/582820671.db2.gz HDKCZIWWAQLWNO-OMMCCPJFSA-N 0 0 197.278 1.230 10 0 ADAERN CN1CCCC[C@@H]1C(=O)OCC1CC1 763979850 582820993 /nfs/dbraw/zinc/82/09/93/582820993.db2.gz CGMUJQBQBXUOLT-SNVBAGLBSA-N 0 0 197.278 1.424 10 0 ADAERN CNC(=O)/C(=C\c1ccccc1)OC 764117060 582821038 /nfs/dbraw/zinc/82/10/38/582821038.db2.gz FKTFAAHQVHADRE-CSKARUKUSA-N 0 0 191.230 1.420 10 0 ADAERN CNC(=O)/C(=C/c1ccccc1)OC 764117062 582821071 /nfs/dbraw/zinc/82/10/71/582821071.db2.gz FKTFAAHQVHADRE-NTMALXAHSA-N 0 0 191.230 1.420 10 0 ADAERN CC1(COC(=O)C2(C)COC2)CCC1 764096351 582821408 /nfs/dbraw/zinc/82/14/08/582821408.db2.gz CXTIIFBLHISRFO-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN O=C1CCC(C(=O)OCC2CC2)CC1 763995834 582821711 /nfs/dbraw/zinc/82/17/11/582821711.db2.gz BSHUHJGCOSHZPL-UHFFFAOYSA-N 0 0 196.246 1.699 10 0 ADAERN CN1CCCC[C@H]1C(=O)OCC1CC1 763979848 582821735 /nfs/dbraw/zinc/82/17/35/582821735.db2.gz CGMUJQBQBXUOLT-JTQLQIEISA-N 0 0 197.278 1.424 10 0 ADAERN O=C(CCn1cccc1)OCC1CC1 763996856 582821744 /nfs/dbraw/zinc/82/17/44/582821744.db2.gz GHOAMQKDGZVWEW-UHFFFAOYSA-N 0 0 193.246 1.831 10 0 ADAERN CCO[C@H]1C[C@@H]1C(=O)O[C@@H](C)C1CC1 764391536 582821951 /nfs/dbraw/zinc/82/19/51/582821951.db2.gz VDSMCJGCBRITFV-HGNGGELXSA-N 0 0 198.262 1.753 10 0 ADAERN Cc1ncoc1C(=O)O[C@@H](C)C1CC1 764395936 582821971 /nfs/dbraw/zinc/82/19/71/582821971.db2.gz MDCKXDMIPWNIMG-ZETCQYMHSA-N 0 0 195.218 1.938 10 0 ADAERN C[C@H](OC(=O)c1cnccn1)C1CC1 764398303 582821990 /nfs/dbraw/zinc/82/19/90/582821990.db2.gz ZRTDHVLWJBDCDC-ZETCQYMHSA-N 0 0 192.218 1.432 10 0 ADAERN C[C@H](OC(=O)[C@]1(C)CCCO1)C1CC1 764399645 582821998 /nfs/dbraw/zinc/82/19/98/582821998.db2.gz HZISEAHOAJMKHQ-KWQFWETISA-N 0 0 198.262 1.897 10 0 ADAERN C[C@@H](OC(=O)[C@]1(C)CCCO1)C1CC1 764384854 582822013 /nfs/dbraw/zinc/82/20/13/582822013.db2.gz HZISEAHOAJMKHQ-KCJUWKMLSA-N 0 0 198.262 1.897 10 0 ADAERN C[C@H](OC(=O)Cc1ccon1)C1CC1 764390296 582822040 /nfs/dbraw/zinc/82/20/40/582822040.db2.gz ISZPOFVNAPKAJL-ZETCQYMHSA-N 0 0 195.218 1.559 10 0 ADAERN C[C@@H](CCO)NC(=O)/C=C\C(C)(C)C 764379143 582822086 /nfs/dbraw/zinc/82/20/86/582822086.db2.gz PZZKBDJYZGSFBY-PGBBXKAQSA-N 0 0 199.294 1.476 10 0 ADAERN C[C@H](CCO)NC(=O)/C=C/C(C)(C)C 764379145 582822155 /nfs/dbraw/zinc/82/21/55/582822155.db2.gz PZZKBDJYZGSFBY-VPIOIWJLSA-N 0 0 199.294 1.476 10 0 ADAERN CCO[C@H]1C[C@H]1C(=O)O[C@H](C)C1CC1 764384682 582822211 /nfs/dbraw/zinc/82/22/11/582822211.db2.gz VDSMCJGCBRITFV-QNSHHTMESA-N 0 0 198.262 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785053778 582891365 /nfs/dbraw/zinc/89/13/65/582891365.db2.gz ZBOWFPFZQCAZPI-VEMNSZJBSA-N 0 0 198.218 1.057 10 0 ADAERN CC(C)/C=C/C(=O)OC[C@@H]1CCCO1 785035636 582891384 /nfs/dbraw/zinc/89/13/84/582891384.db2.gz MEOIRXBWSRSOTK-PORFMDCZSA-N 0 0 198.262 1.921 10 0 ADAERN O=C(OCC[C@@H]1CCCCO1)C1CC1 784956449 582891422 /nfs/dbraw/zinc/89/14/22/582891422.db2.gz ZQJVVQNPNCDHDX-JTQLQIEISA-N 0 0 198.262 1.899 10 0 ADAERN CC(C)/C=C\C(=O)OCCC1(O)CC1 785035627 582891441 /nfs/dbraw/zinc/89/14/41/582891441.db2.gz LQNYFKXSZSNSDN-ARJAWSKDSA-N 0 0 198.262 1.657 10 0 ADAERN CC(C)/C=C\C(=O)OCC1(C)COC1 785035061 582891453 /nfs/dbraw/zinc/89/14/53/582891453.db2.gz KABIVZAJHOMAPV-PLNGDYQASA-N 0 0 198.262 1.778 10 0 ADAERN CC(C)/C=C\C(=O)OC[C@H]1CCOC1 785044199 582891462 /nfs/dbraw/zinc/89/14/62/582891462.db2.gz XIXQUCXZTOOLFH-XOULXFPDSA-N 0 0 198.262 1.778 10 0 ADAERN O=C(N[C@@H]1CCCOC1)OCC1CC1 785035356 582891470 /nfs/dbraw/zinc/89/14/70/582891470.db2.gz XGWCSLMPIIYBIM-SECBINFHSA-N 0 0 199.250 1.302 10 0 ADAERN Cc1c[nH]nc1COCCC1(O)CC1 844771313 583148106 /nfs/dbraw/zinc/14/81/06/583148106.db2.gz NAGLPUSJYNWUEP-UHFFFAOYSA-N 0 0 196.250 1.150 10 0 ADAERN CC[C@H](OC(=O)/C=C/C(C)C)C(N)=O 785067537 582891520 /nfs/dbraw/zinc/89/15/20/582891520.db2.gz REWGPQJKLVVQDL-GJIOHYHPSA-N 0 0 199.250 1.006 10 0 ADAERN O=C(N[C@H]1CCCOC1)OCC1CC1 785035359 582891533 /nfs/dbraw/zinc/89/15/33/582891533.db2.gz XGWCSLMPIIYBIM-VIFPVBQESA-N 0 0 199.250 1.302 10 0 ADAERN CC(C)/C=C/C(=O)OCC1(C)COC1 785035062 582891535 /nfs/dbraw/zinc/89/15/35/582891535.db2.gz KABIVZAJHOMAPV-SNAWJCMRSA-N 0 0 198.262 1.778 10 0 ADAERN O=C(OCC[C@H]1CCCCO1)C1CC1 784956515 582891552 /nfs/dbraw/zinc/89/15/52/582891552.db2.gz ZQJVVQNPNCDHDX-SNVBAGLBSA-N 0 0 198.262 1.899 10 0 ADAERN CC(C)/C=C\C(=O)O[C@@H]1CCOC1=O 785053777 582891557 /nfs/dbraw/zinc/89/15/57/582891557.db2.gz ZBOWFPFZQCAZPI-TUUFMJSCSA-N 0 0 198.218 1.057 10 0 ADAERN CC(C)/C=C\C(=O)OCC(=O)C1CC1 785035675 582891566 /nfs/dbraw/zinc/89/15/66/582891566.db2.gz NHGLQODYAPMCSB-UTCJRWHESA-N 0 0 196.246 1.721 10 0 ADAERN CC(C)/C=C/C(=O)OCC(=O)C(C)C 785036609 582891618 /nfs/dbraw/zinc/89/16/18/582891618.db2.gz RXFFRWGMHOXAGF-AATRIKPKSA-N 0 0 198.262 1.967 10 0 ADAERN CC(C)/C=C/C(=O)OC[C@H]1CCOC1 785044193 582891621 /nfs/dbraw/zinc/89/16/21/582891621.db2.gz XIXQUCXZTOOLFH-FSIBCCDJSA-N 0 0 198.262 1.778 10 0 ADAERN CC(C)/C=C\C(=O)OC[C@H]1CCCO1 785035637 582891635 /nfs/dbraw/zinc/89/16/35/582891635.db2.gz MEOIRXBWSRSOTK-WWQCOOJYSA-N 0 0 198.262 1.921 10 0 ADAERN CC[C@H](OC(=O)/C=C\C(C)C)C(N)=O 785067546 582891703 /nfs/dbraw/zinc/89/17/03/582891703.db2.gz REWGPQJKLVVQDL-SLGIHZDVSA-N 0 0 199.250 1.006 10 0 ADAERN CC(C)/C=C/C(=O)OCCC1(O)CC1 785035628 582891722 /nfs/dbraw/zinc/89/17/22/582891722.db2.gz LQNYFKXSZSNSDN-ONEGZZNKSA-N 0 0 198.262 1.657 10 0 ADAERN CC(C)/C=C\C(=O)OCC(=O)C(C)C 785036610 582891730 /nfs/dbraw/zinc/89/17/30/582891730.db2.gz RXFFRWGMHOXAGF-WAYWQWQTSA-N 0 0 198.262 1.967 10 0 ADAERN CC(C)/C=C\C(=O)OC[C@@H]1CCCO1 785035635 582891828 /nfs/dbraw/zinc/89/18/28/582891828.db2.gz MEOIRXBWSRSOTK-OMMCCPJFSA-N 0 0 198.262 1.921 10 0 ADAERN CC(C)/C=C/C(=O)O[C@H]1CCOC1=O 785053776 582891738 /nfs/dbraw/zinc/89/17/38/582891738.db2.gz ZBOWFPFZQCAZPI-RTMURIBGSA-N 0 0 198.218 1.057 10 0 ADAERN CC(C)/C=C/C(=O)OCC(=O)C1CC1 785035676 582891759 /nfs/dbraw/zinc/89/17/59/582891759.db2.gz NHGLQODYAPMCSB-ZZXKWVIFSA-N 0 0 196.246 1.721 10 0 ADAERN CC(C)/C=C\C(=O)OCc1ccno1 785037607 582891762 /nfs/dbraw/zinc/89/17/62/582891762.db2.gz YVWSPQPEFXLFNL-ARJAWSKDSA-N 0 0 195.218 1.930 10 0 ADAERN CC(=O)COC(=O)C12CCC(CC1)C2 784895548 582891765 /nfs/dbraw/zinc/89/17/65/582891765.db2.gz BKBRTRJJQZCOEL-UHFFFAOYSA-N 0 0 196.246 1.699 10 0 ADAERN CC(C)/C=C/C(=O)OCc1ccno1 785037608 582891768 /nfs/dbraw/zinc/89/17/68/582891768.db2.gz YVWSPQPEFXLFNL-ONEGZZNKSA-N 0 0 195.218 1.930 10 0 ADAERN CC[C@@H](OC(=O)/C=C/C(C)C)C(N)=O 785067540 582891775 /nfs/dbraw/zinc/89/17/75/582891775.db2.gz REWGPQJKLVVQDL-HQZHTGGTSA-N 0 0 199.250 1.006 10 0 ADAERN CC(C)/C=C/C(=O)OC[C@H]1CCCO1 785035634 582891783 /nfs/dbraw/zinc/89/17/83/582891783.db2.gz MEOIRXBWSRSOTK-BRAIEQGRSA-N 0 0 198.262 1.921 10 0 ADAERN CN(C(=O)OCC1CC1)[C@@H]1CCOC1 785034655 582891784 /nfs/dbraw/zinc/89/17/84/582891784.db2.gz QXOQFKGRFOPBKZ-SECBINFHSA-N 0 0 199.250 1.254 10 0 ADAERN CC(C)/C=C\C(=O)OC[C@@H]1CCOC1 785044197 582891825 /nfs/dbraw/zinc/89/18/25/582891825.db2.gz XIXQUCXZTOOLFH-UMBAGQNISA-N 0 0 198.262 1.778 10 0 ADAERN CC[C@@H](OC(=O)/C=C\C(C)C)C(N)=O 785067543 582891838 /nfs/dbraw/zinc/89/18/38/582891838.db2.gz REWGPQJKLVVQDL-RPSMYOMKSA-N 0 0 199.250 1.006 10 0 ADAERN CC(C)/C=C/C(=O)O[C@@H]1CCOC1=O 785053775 582891844 /nfs/dbraw/zinc/89/18/44/582891844.db2.gz ZBOWFPFZQCAZPI-MPJRPATESA-N 0 0 198.218 1.057 10 0 ADAERN CC(C)/C=C/C(=O)OC[C@@H]1CCOC1 785044196 582891847 /nfs/dbraw/zinc/89/18/47/582891847.db2.gz XIXQUCXZTOOLFH-HMDXOVGESA-N 0 0 198.262 1.778 10 0 ADAERN CCc1n[nH]cc1C(=O)OCC1CC1 785169807 582892059 /nfs/dbraw/zinc/89/20/59/582892059.db2.gz PXLPPMHTKZURSW-UHFFFAOYSA-N 0 0 194.234 1.539 10 0 ADAERN O=C(OCc1ccccc1)C1COC1 785403457 582892080 /nfs/dbraw/zinc/89/20/80/582892080.db2.gz JQEDAIPRLAKKJY-UHFFFAOYSA-N 0 0 192.214 1.376 10 0 ADAERN Cc1ccncc1/C=C\C(=O)N(C)C 785137522 582892090 /nfs/dbraw/zinc/89/20/90/582892090.db2.gz BOTSCBHTGOPZEI-PLNGDYQASA-N 0 0 190.246 1.491 10 0 ADAERN CCc1n[nH]cc1C(=O)O[C@H](C)CC 785169115 582892127 /nfs/dbraw/zinc/89/21/27/582892127.db2.gz LMZYOKJDZAMZSI-SSDOTTSWSA-N 0 0 196.250 1.927 10 0 ADAERN CCc1n[nH]cc1C(=O)OCC(C)C 785170301 582892165 /nfs/dbraw/zinc/89/21/65/582892165.db2.gz YZSUATMDXYMYSL-UHFFFAOYSA-N 0 0 196.250 1.785 10 0 ADAERN O=C(OCC1CC1)N1CCCCCO1 785212059 582892192 /nfs/dbraw/zinc/89/21/92/582892192.db2.gz FPXCMCOMYXBGNQ-UHFFFAOYSA-N 0 0 199.250 1.951 10 0 ADAERN CC(=O)NCC[C@@]1(C)C[C@]1(F)Cl 844821542 583148155 /nfs/dbraw/zinc/14/81/55/583148155.db2.gz PIVFZHYECDUICQ-JGVFFNPUSA-N 0 0 193.649 1.827 10 0 ADAERN CC1(C)CC[C@H](C(=O)OCC2CC2)O1 785234960 582892334 /nfs/dbraw/zinc/89/23/34/582892334.db2.gz USUAAJCESLLNRQ-SECBINFHSA-N 0 0 198.262 1.897 10 0 ADAERN CC(C)(C)C(=O)C(=O)N1CCCCO1 785438491 582893250 /nfs/dbraw/zinc/89/32/50/582893250.db2.gz GDLPEOUDNGPHLO-UHFFFAOYSA-N 0 0 199.250 1.156 10 0 ADAERN O=C(N[C@H]1[C@H]2CCC[C@H]21)OCC1CC1 785343778 582892709 /nfs/dbraw/zinc/89/27/09/582892709.db2.gz PYKPRMMZCQUDGA-ILWJIGKKSA-N 0 0 195.262 1.921 10 0 ADAERN O=C(N[C@@H]1[C@H]2CCC[C@H]21)OCC1CC1 785343779 582892713 /nfs/dbraw/zinc/89/27/13/582892713.db2.gz PYKPRMMZCQUDGA-MYJAWHEDSA-N 0 0 195.262 1.921 10 0 ADAERN CCCCOC(=O)c1c[nH]nc1CC 785169016 582892731 /nfs/dbraw/zinc/89/27/31/582892731.db2.gz JPTBYBNQEHPTKK-UHFFFAOYSA-N 0 0 196.250 1.929 10 0 ADAERN CCc1n[nH]cc1C(=O)O[C@@H](C)CC 785169116 582892744 /nfs/dbraw/zinc/89/27/44/582892744.db2.gz LMZYOKJDZAMZSI-ZETCQYMHSA-N 0 0 196.250 1.927 10 0 ADAERN CC(=O)COC(=O)c1ccncc1C 786035030 582895475 /nfs/dbraw/zinc/89/54/75/582895475.db2.gz HAYMPDQBPCARCM-UHFFFAOYSA-N 0 0 193.202 1.136 10 0 ADAERN CC1(C)CC[C@@H](C(=O)OCC2CC2)O1 785234961 582892802 /nfs/dbraw/zinc/89/28/02/582892802.db2.gz USUAAJCESLLNRQ-VIFPVBQESA-N 0 0 198.262 1.897 10 0 ADAERN Cc1ccc(OCCC2(O)CC2)cn1 785516748 582893020 /nfs/dbraw/zinc/89/30/20/582893020.db2.gz DWGYOPSKWGTDAA-UHFFFAOYSA-N 0 0 193.246 1.684 10 0 ADAERN Cc1cccc(OCCC2(O)CC2)n1 785517514 582893026 /nfs/dbraw/zinc/89/30/26/582893026.db2.gz KCDWXANETRKMNT-UHFFFAOYSA-N 0 0 193.246 1.684 10 0 ADAERN C/C(=C/C(=O)N1CCCCO1)C1CC1 785430611 582893033 /nfs/dbraw/zinc/89/30/33/582893033.db2.gz AWKTVNVKIXUFJO-HJWRWDBZSA-N 0 0 195.262 1.897 10 0 ADAERN CO[C@@H](C)CNC(=O)/C=C\C(C)(C)C 785435211 582893036 /nfs/dbraw/zinc/89/30/36/582893036.db2.gz ZWUBXDVFJVQNAA-NMTCXDENSA-N 0 0 199.294 1.740 10 0 ADAERN OC1(CCOc2cccnc2F)CC1 785517024 582893070 /nfs/dbraw/zinc/89/30/70/582893070.db2.gz HEJPRAVUUMDZPQ-UHFFFAOYSA-N 0 0 197.209 1.515 10 0 ADAERN C/C=C/C(=O)N1CCO[C@@](C)(CC)C1 785426489 582893082 /nfs/dbraw/zinc/89/30/82/582893082.db2.gz CTAZSBFMDDQEQI-MALLOTDXSA-N 0 0 197.278 1.590 10 0 ADAERN Cc1ncccc1OCCC1(O)CC1 785518477 582893157 /nfs/dbraw/zinc/89/31/57/582893157.db2.gz QPSBNSHRWLNHRQ-UHFFFAOYSA-N 0 0 193.246 1.684 10 0 ADAERN CC(C)c1nccn1CCC1(O)CC1 785451567 582893223 /nfs/dbraw/zinc/89/32/23/582893223.db2.gz PDGBURHOAOYSEG-UHFFFAOYSA-N 0 0 194.278 1.922 10 0 ADAERN CC/C=C(\C)C(=O)OCCC1(O)CC1 785652863 582893229 /nfs/dbraw/zinc/89/32/29/582893229.db2.gz GSURPQTWOCIELA-RUDMXATFSA-N 0 0 198.262 1.801 10 0 ADAERN O=C(C1=COCCC1)N1CCCCO1 785434602 582893261 /nfs/dbraw/zinc/89/32/61/582893261.db2.gz LUTMZTNSDFBLDB-UHFFFAOYSA-N 0 0 197.234 1.235 10 0 ADAERN C/C=C/C=C/C(=O)OCCC1(O)CC1 785643391 582893265 /nfs/dbraw/zinc/89/32/65/582893265.db2.gz MHJHWUOESRBMKW-MQQKCMAXSA-N 0 0 196.246 1.577 10 0 ADAERN Cc1cc(OCCC2(O)CC2)nn1C 785518462 582893310 /nfs/dbraw/zinc/89/33/10/582893310.db2.gz PRZVTRYXQYMEMU-UHFFFAOYSA-N 0 0 196.250 1.022 10 0 ADAERN C/C=C/C=C\C(=O)OCCC1(O)CC1 785643389 582893313 /nfs/dbraw/zinc/89/33/13/582893313.db2.gz MHJHWUOESRBMKW-IAROGAJJSA-N 0 0 196.246 1.577 10 0 ADAERN CO[C@H](C)CNC(=O)/C=C\C(C)(C)C 785435209 582893360 /nfs/dbraw/zinc/89/33/60/582893360.db2.gz ZWUBXDVFJVQNAA-ATJFRQLMSA-N 0 0 199.294 1.740 10 0 ADAERN C/C=C/C(=O)N1CCO[C@](C)(CC)C1 785426488 582893370 /nfs/dbraw/zinc/89/33/70/582893370.db2.gz CTAZSBFMDDQEQI-DUMNWFOQSA-N 0 0 197.278 1.590 10 0 ADAERN Cc1ccc(OCCC2(O)CC2)nc1 785449735 582893375 /nfs/dbraw/zinc/89/33/75/582893375.db2.gz YSVCXBOUOALPBC-UHFFFAOYSA-N 0 0 193.246 1.684 10 0 ADAERN CC[C@@H](C)OC(=O)Cc1cc(C)on1 785963858 582895260 /nfs/dbraw/zinc/89/52/60/582895260.db2.gz GUJMZSTTXRQRFS-SSDOTTSWSA-N 0 0 197.234 1.867 10 0 ADAERN C/C=C\C(=O)N1CCO[C@@](C)(CC)C1 785426490 582893428 /nfs/dbraw/zinc/89/34/28/582893428.db2.gz CTAZSBFMDDQEQI-QZPNVGJNSA-N 0 0 197.278 1.590 10 0 ADAERN C/C=C\C(=O)N1CCO[C@](C)(CC)C1 785426491 582893446 /nfs/dbraw/zinc/89/34/46/582893446.db2.gz CTAZSBFMDDQEQI-VLWUPBBWSA-N 0 0 197.278 1.590 10 0 ADAERN OC1(CCOc2ccc(F)nc2)CC1 785451996 582893492 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582938592 /nfs/dbraw/zinc/93/85/92/582938592.db2.gz GOYWGSADDNJFBA-NSHDSACASA-N 0 0 198.262 1.899 10 0 ADAERN C[C@]1(OC(=O)C2=COCC2)CCOC1 802900285 582938600 /nfs/dbraw/zinc/93/86/00/582938600.db2.gz RVUIHPRBEDICDT-JTQLQIEISA-N 0 0 198.218 1.013 10 0 ADAERN COc1ncc(C2=CCOCC2)cn1 757567462 582938609 /nfs/dbraw/zinc/93/86/09/582938609.db2.gz SPARFDACWNFWEC-UHFFFAOYSA-N 0 0 192.218 1.289 10 0 ADAERN CC1(C)CC(C(=O)N2CC(C)(F)C2)C1 803274735 582938765 /nfs/dbraw/zinc/93/87/65/582938765.db2.gz OZDWZZAEBUDHHS-UHFFFAOYSA-N 0 0 199.269 1.993 10 0 ADAERN O=C(/C=C/C1CC1)OCCCCCO 803370801 582938839 /nfs/dbraw/zinc/93/88/39/582938839.db2.gz DLPNNASKMQAIFK-VOTSOKGWSA-N 0 0 198.262 1.658 10 0 ADAERN CC(C)/C=C\C(=O)OCc1cn[nH]c1 803482453 582939081 /nfs/dbraw/zinc/93/90/81/582939081.db2.gz YKWNKRQWGJNLEP-ARJAWSKDSA-N 0 0 194.234 1.665 10 0 ADAERN O=C(OCCF)c1cc(C2CC2)no1 803519252 582939091 /nfs/dbraw/zinc/93/90/91/582939091.db2.gz CMIFATLNDOBFQC-UHFFFAOYSA-N 0 0 199.181 1.678 10 0 ADAERN Cc1cc(C(=O)OCCF)c(C)nn1 803499910 582939107 /nfs/dbraw/zinc/93/91/07/582939107.db2.gz DDNNMQWYZVQGBD-UHFFFAOYSA-N 0 0 198.197 1.220 10 0 ADAERN CC1(C)C[C@H]1C(=O)OCc1cn[nH]c1 803404813 582939111 /nfs/dbraw/zinc/93/91/11/582939111.db2.gz XFIFOYAJPXBHQH-QMMMGPOBSA-N 0 0 194.234 1.499 10 0 ADAERN CC(C)(F)C(=O)OCc1ccncc1 803416334 582939123 /nfs/dbraw/zinc/93/91/23/582939123.db2.gz GEGBQMCNMHLWOK-UHFFFAOYSA-N 0 0 197.209 1.873 10 0 ADAERN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1C 803248950 582939174 /nfs/dbraw/zinc/93/91/74/582939174.db2.gz JZKHWJJWBQQUSQ-KYXWUPHJSA-N 0 0 197.278 1.326 10 0 ADAERN O=C(/C=C\C1CC1)OCc1cn[nH]c1 803371943 582939190 /nfs/dbraw/zinc/93/91/90/582939190.db2.gz TXODDASJYXBTPA-ARJAWSKDSA-N 0 0 192.218 1.419 10 0 ADAERN CC(=O)O[C@@H]1CCCC(C)(C)C1=O 840007152 582939195 /nfs/dbraw/zinc/93/91/95/582939195.db2.gz YRGAGBRRJIHMAB-MRVPVSSYSA-N 0 0 184.235 1.697 10 0 ADAERN CC(C)/C=C/C(=O)OCc1cn[nH]c1 803482454 582939258 /nfs/dbraw/zinc/93/92/58/582939258.db2.gz YKWNKRQWGJNLEP-ONEGZZNKSA-N 0 0 194.234 1.665 10 0 ADAERN O=C(OCCCCF)c1ccnnc1 803407322 582939324 /nfs/dbraw/zinc/93/93/24/582939324.db2.gz ZMRJFCKSWCXOJU-UHFFFAOYSA-N 0 0 198.197 1.383 10 0 ADAERN O=C(/C=C/C1CC1)OCc1cn[nH]c1 803371944 582939352 /nfs/dbraw/zinc/93/93/52/582939352.db2.gz TXODDASJYXBTPA-ONEGZZNKSA-N 0 0 192.218 1.419 10 0 ADAERN O=C(/C=C\C1CC1)OCCCCCO 803370799 582939355 /nfs/dbraw/zinc/93/93/55/582939355.db2.gz DLPNNASKMQAIFK-SREVYHEPSA-N 0 0 198.262 1.658 10 0 ADAERN Cc1cc(C(=O)OCCF)nc(C)n1 803432422 582939490 /nfs/dbraw/zinc/93/94/90/582939490.db2.gz BYRJQZNRHAJKNI-UHFFFAOYSA-N 0 0 198.197 1.220 10 0 ADAERN CC(=O)O[C@H]1CCCC(C)(C)C1=O 840007269 582939495 /nfs/dbraw/zinc/93/94/95/582939495.db2.gz YRGAGBRRJIHMAB-QMMMGPOBSA-N 0 0 184.235 1.697 10 0 ADAERN CCc1nc(NC)c2cc[nH]c2n1 757568826 582939594 /nfs/dbraw/zinc/93/95/94/582939594.db2.gz RJAWKEYBXRPYFZ-UHFFFAOYSA-N 0 0 176.223 1.514 10 0 ADAERN COc1ccnc(C2=CCOCC2)c1 757571907 582939838 /nfs/dbraw/zinc/93/98/38/582939838.db2.gz NHYHRFPVXFXPDZ-UHFFFAOYSA-N 0 0 191.230 1.894 10 0 ADAERN O=C(c1cnco1)N1CCC[C@@H]2C[C@@H]21 804292558 582939914 /nfs/dbraw/zinc/93/99/14/582939914.db2.gz GQSLRYSOILNUEW-SFYZADRCSA-N 0 0 192.218 1.299 10 0 ADAERN COc1ccc(-c2nc[nH]n2)cc1F 757570354 582940018 /nfs/dbraw/zinc/94/00/18/582940018.db2.gz ZWJFALXHESIAGD-UHFFFAOYSA-N 0 0 193.181 1.619 10 0 ADAERN COC(=O)N1CC[C@]2(CCCOC2)C1 803689098 582940249 /nfs/dbraw/zinc/94/02/49/582940249.db2.gz JWAQZZOPQNZHMW-SNVBAGLBSA-N 0 0 199.250 1.255 10 0 ADAERN Cn1nncc1-c1csc(C=O)c1 757572980 582940277 /nfs/dbraw/zinc/94/02/77/582940277.db2.gz VXDAJTGBKSOKDF-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN CC(C)c1nc(N)c2cc[nH]c2n1 757570703 582940337 /nfs/dbraw/zinc/94/03/37/582940337.db2.gz YEWLZAALJXYBAC-UHFFFAOYSA-N 0 0 176.223 1.615 10 0 ADAERN Nc1cc(F)cnc1C1=CCOCC1 757570405 582940413 /nfs/dbraw/zinc/94/04/13/582940413.db2.gz FPSWWHJTFPOIQY-UHFFFAOYSA-N 0 0 194.209 1.607 10 0 ADAERN COC(=O)N1CC[C@@]2(CCCOC2)C1 803689097 582940517 /nfs/dbraw/zinc/94/05/17/582940517.db2.gz JWAQZZOPQNZHMW-JTQLQIEISA-N 0 0 199.250 1.255 10 0 ADAERN CO[C@H]1C[C@@H](N(C)C(=O)C=C(C)C)C1 804303770 582940680 /nfs/dbraw/zinc/94/06/80/582940680.db2.gz ZHPCFWMYOJMPIP-AOOOYVTPSA-N 0 0 197.278 1.588 10 0 ADAERN COC/C=C/C(=O)N1CCC[C@@H]2C[C@@H]21 804295615 582940699 /nfs/dbraw/zinc/94/06/99/582940699.db2.gz ACWHKCYEILJSCL-AEJJFCSLSA-N 0 0 195.262 1.200 10 0 ADAERN C/C=C(\C)C(=O)N(C)[C@H]1C[C@@H](OC)C1 804303041 582940705 /nfs/dbraw/zinc/94/07/05/582940705.db2.gz FBLACJOSFRDVOO-ZEPMIFTKSA-N 0 0 197.278 1.588 10 0 ADAERN C/C=C(/C)C(=O)N(C)[C@H]1C[C@@H](OC)C1 804303040 582940726 /nfs/dbraw/zinc/94/07/26/582940726.db2.gz FBLACJOSFRDVOO-FANJAJBXSA-N 0 0 197.278 1.588 10 0 ADAERN COC(=O)COC(=O)C[C@H]1C=CCC1 804533921 582940752 /nfs/dbraw/zinc/94/07/52/582940752.db2.gz JUWOCOMEUDAMMD-QMMMGPOBSA-N 0 0 198.218 1.059 10 0 ADAERN O=C(c1cnco1)N1CCC[C@H]2C[C@H]21 804292557 582940773 /nfs/dbraw/zinc/94/07/73/582940773.db2.gz GQSLRYSOILNUEW-JGVFFNPUSA-N 0 0 192.218 1.299 10 0 ADAERN O=C(/C=C/C1CC1)N1CCC[C@@H]2C[C@@H]21 804295328 582940931 /nfs/dbraw/zinc/94/09/31/582940931.db2.gz RDTVVHBLYVXQKQ-PVTPVBHGSA-N 0 0 191.274 1.964 10 0 ADAERN CCON(C)c1cc(C)nc(CC)n1 804633284 582940972 /nfs/dbraw/zinc/94/09/72/582940972.db2.gz IERSJKOANJFUCB-UHFFFAOYSA-N 0 0 195.266 1.735 10 0 ADAERN O=C(/C=C\C1CC1)N1CCC[C@@H]2C[C@@H]21 804295327 582941010 /nfs/dbraw/zinc/94/10/10/582941010.db2.gz RDTVVHBLYVXQKQ-MXFLAHGMSA-N 0 0 191.274 1.964 10 0 ADAERN CCC(F)(F)C(=O)N[C@H]1CC12CC2 854985587 583245090 /nfs/dbraw/zinc/24/50/90/583245090.db2.gz YBEGBLIKRDCPJL-LURJTMIESA-N 0 0 189.205 1.700 10 0 ADAERN COC/C=C\C(=O)N1CCC[C@@H]2C[C@@H]21 804295617 582941181 /nfs/dbraw/zinc/94/11/81/582941181.db2.gz ACWHKCYEILJSCL-OSCQXZJKSA-N 0 0 195.262 1.200 10 0 ADAERN COC(=O)COC(=O)C[C@@H]1C=CCC1 804533914 582941273 /nfs/dbraw/zinc/94/12/73/582941273.db2.gz JUWOCOMEUDAMMD-MRVPVSSYSA-N 0 0 198.218 1.059 10 0 ADAERN CCc1noc(-c2cccnc2F)n1 806649402 582941561 /nfs/dbraw/zinc/94/15/61/582941561.db2.gz BXJDUGRPKLVKPZ-UHFFFAOYSA-N 0 0 193.181 1.833 10 0 ADAERN c1ccc2[nH]c(N3CC3)cc2c1 757134955 582942020 /nfs/dbraw/zinc/94/20/20/582942020.db2.gz ACLQBWSMGXOCHG-UHFFFAOYSA-N 0 0 158.204 1.988 10 0 ADAERN N=C(NO)c1occc1C1CC1 757121258 582942180 /nfs/dbraw/zinc/94/21/80/582942180.db2.gz HAHHIUGLOXIDGD-UHFFFAOYSA-N 0 0 166.180 1.461 10 0 ADAERN Cc1nc([C@H](O)C2CC2)sc1C=O 757123082 582942208 /nfs/dbraw/zinc/94/22/08/582942208.db2.gz AKZLCLWZHDEQFY-MRVPVSSYSA-N 0 0 197.259 1.707 10 0 ADAERN c1cnc2cnn(-c3cnccn3)c2c1 757120837 582942218 /nfs/dbraw/zinc/94/22/18/582942218.db2.gz BXXABFGCPXNGEM-UHFFFAOYSA-N 0 0 197.201 1.211 10 0 ADAERN COC1=NCC[C@]2(CC1)COCCO2 757138022 582942263 /nfs/dbraw/zinc/94/22/63/582942263.db2.gz QOOMGSVINHRFAC-SNVBAGLBSA-N 0 0 199.250 1.001 10 0 ADAERN CO[C@@H](C)C(=O)c1nccs1 757125946 582942282 /nfs/dbraw/zinc/94/22/82/582942282.db2.gz UWUUPOACFZPPCS-YFKPBYRVSA-N 0 0 171.221 1.361 10 0 ADAERN CC[C@H](C)C(=O)c1nc(CO)cs1 757123160 582942307 /nfs/dbraw/zinc/94/23/07/582942307.db2.gz ITHHNIBNCGZLAL-LURJTMIESA-N 0 0 199.275 1.864 10 0 ADAERN COCC[C@H](O)c1nc(C)cs1 757126053 582942311 /nfs/dbraw/zinc/94/23/11/582942311.db2.gz UZVHTXLBGMKKBK-ZETCQYMHSA-N 0 0 187.264 1.521 10 0 ADAERN CC(=O)c1csc([C@@H](O)C2CC2)n1 757132473 582942329 /nfs/dbraw/zinc/94/23/29/582942329.db2.gz TWVIFORGCYPPLS-QMMMGPOBSA-N 0 0 197.259 1.789 10 0 ADAERN CC(C)CCNC(=S)NCCF 757127652 582942334 /nfs/dbraw/zinc/94/23/34/582942334.db2.gz DFYKCMYHBJWMGI-UHFFFAOYSA-N 0 0 192.303 1.466 10 0 ADAERN CC(C)c1cnc(C(N)=S)s1 757120764 582942349 /nfs/dbraw/zinc/94/23/49/582942349.db2.gz IGZPXTSEXOYFNI-UHFFFAOYSA-N 0 0 186.305 1.901 10 0 ADAERN Cc1nc([C@H](C)O)sc1C=O 757126036 582942391 /nfs/dbraw/zinc/94/23/91/582942391.db2.gz GGEKBYCQYIUCRS-YFKPBYRVSA-N 0 0 171.221 1.317 10 0 ADAERN C[C@@H]1O[C@]2(CCN(C)C2)[NH2+]CC1(C)C 757145718 582942439 /nfs/dbraw/zinc/94/24/39/582942439.db2.gz IJGQSDDPLZKAMO-ONGXEEELSA-N 0 0 198.310 1.053 10 0 ADAERN Nc1nc2cc3c(cn2n1)CCCC3 757132018 582942473 /nfs/dbraw/zinc/94/24/73/582942473.db2.gz PKTNFVPFTQTGAT-UHFFFAOYSA-N 0 0 188.234 1.190 10 0 ADAERN CC(C)Cc1ccoc1C(=N)NO 757122047 582942507 /nfs/dbraw/zinc/94/25/07/582942507.db2.gz NZHLQNWYPBTYDJ-UHFFFAOYSA-N 0 0 182.223 1.782 10 0 ADAERN Nc1nc2cc(C3CC3)ccn2n1 757129754 582942535 /nfs/dbraw/zinc/94/25/35/582942535.db2.gz JFSXWQXJROEJAY-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN COCCC(=O)c1nccs1 757121840 582942570 /nfs/dbraw/zinc/94/25/70/582942570.db2.gz BZIIFIVMOMTJDC-UHFFFAOYSA-N 0 0 171.221 1.362 10 0 ADAERN NC(=S)c1nc(C2CC2)cs1 757120642 582942587 /nfs/dbraw/zinc/94/25/87/582942587.db2.gz COSVZDIKEWZDFQ-UHFFFAOYSA-N 0 0 184.289 1.655 10 0 ADAERN CCCc1ccoc1C(N)=S 757121201 582942604 /nfs/dbraw/zinc/94/26/04/582942604.db2.gz FXRWHFGGMOBVDL-UHFFFAOYSA-N 0 0 169.249 1.866 10 0 ADAERN CC[C@@H]1CC[NH2+][C@]2(CCSC2)O1 757138030 582942678 /nfs/dbraw/zinc/94/26/78/582942678.db2.gz ACRAVMZVPYPREU-RKDXNWHRSA-N 0 0 187.308 1.608 10 0 ADAERN Cc1nc([C@@H](O)C2CC2)sc1C=O 757123142 582942714 /nfs/dbraw/zinc/94/27/14/582942714.db2.gz AKZLCLWZHDEQFY-QMMMGPOBSA-N 0 0 197.259 1.707 10 0 ADAERN CC(=O)c1csc([C@H](O)C2CC2)n1 757132465 582942727 /nfs/dbraw/zinc/94/27/27/582942727.db2.gz TWVIFORGCYPPLS-MRVPVSSYSA-N 0 0 197.259 1.789 10 0 ADAERN CC[C@H]1CC[NH2+][C@@]2(CCSC2)O1 757138029 582942761 /nfs/dbraw/zinc/94/27/61/582942761.db2.gz ACRAVMZVPYPREU-IUCAKERBSA-N 0 0 187.308 1.608 10 0 ADAERN COC1=NCC[C@@]2(CC1)COCCO2 757138021 582942767 /nfs/dbraw/zinc/94/27/67/582942767.db2.gz QOOMGSVINHRFAC-JTQLQIEISA-N 0 0 199.250 1.001 10 0 ADAERN COCC[C@@H](O)c1nc(C)cs1 757125954 582942782 /nfs/dbraw/zinc/94/27/82/582942782.db2.gz UZVHTXLBGMKKBK-SSDOTTSWSA-N 0 0 187.264 1.521 10 0 ADAERN CCC(=O)c1nc(C)c(CO)s1 757121412 582942802 /nfs/dbraw/zinc/94/28/02/582942802.db2.gz BFSBWEKMXHVJDF-UHFFFAOYSA-N 0 0 185.248 1.537 10 0 ADAERN CO[C@H](C)C(=O)c1nccs1 757125941 582942808 /nfs/dbraw/zinc/94/28/08/582942808.db2.gz UWUUPOACFZPPCS-RXMQYKEDSA-N 0 0 171.221 1.361 10 0 ADAERN CC1(C)CC2(C1)[NH2+]CC1(CC1)CO2 757143380 582942818 /nfs/dbraw/zinc/94/28/18/582942818.db2.gz MMQPMETUCVPESS-UHFFFAOYSA-N 0 0 181.279 1.903 10 0 ADAERN Cc1nc([C@@H](C)O)sc1C=O 757126019 582942835 /nfs/dbraw/zinc/94/28/35/582942835.db2.gz GGEKBYCQYIUCRS-RXMQYKEDSA-N 0 0 171.221 1.317 10 0 ADAERN c1cnnc(-n2ncc3ncccc32)c1 757120738 582942922 /nfs/dbraw/zinc/94/29/22/582942922.db2.gz ANSXJABBMMLUAQ-UHFFFAOYSA-N 0 0 197.201 1.211 10 0 ADAERN CCCCc1ccoc1C(N)=[NH2+] 757121499 582942954 /nfs/dbraw/zinc/94/29/54/582942954.db2.gz JLQYJFJNBMUIJS-UHFFFAOYSA-N 0 0 166.224 1.906 10 0 ADAERN O=C1CCC[C@@]12CCCOC2 757194375 582950403 /nfs/dbraw/zinc/95/04/03/582950403.db2.gz CXPRJQGTQNWHHT-VIFPVBQESA-N 0 0 154.209 1.536 10 0 ADAERN C[C@H](CO)Nc1cc2ccccc2[nH]1 757136773 582943231 /nfs/dbraw/zinc/94/32/31/582943231.db2.gz RRHDGNYEPREDCK-MRVPVSSYSA-N 0 0 190.246 1.961 10 0 ADAERN C[C@H](O)CNc1cc2ccccc2[nH]1 757135283 582943302 /nfs/dbraw/zinc/94/33/02/582943302.db2.gz FSWNXFYWUBHZJT-QMMMGPOBSA-N 0 0 190.246 1.961 10 0 ADAERN C[C@@H](CO)Nc1cc2ccccc2[nH]1 757136774 582943440 /nfs/dbraw/zinc/94/34/40/582943440.db2.gz RRHDGNYEPREDCK-QMMMGPOBSA-N 0 0 190.246 1.961 10 0 ADAERN CC(C)n1nnc(CO)c1C(F)F 757136778 582943710 /nfs/dbraw/zinc/94/37/10/582943710.db2.gz GLMDVGCONYAJNT-UHFFFAOYSA-N 0 0 191.181 1.289 10 0 ADAERN CCn1nnc(CO)c1-c1ccoc1 757138057 582943822 /nfs/dbraw/zinc/94/38/22/582943822.db2.gz RJYXLDXNBZQOAY-UHFFFAOYSA-N 0 0 193.206 1.050 10 0 ADAERN C[C@@H](O)CNc1cc2ccccc2[nH]1 757135281 582943915 /nfs/dbraw/zinc/94/39/15/582943915.db2.gz FSWNXFYWUBHZJT-MRVPVSSYSA-N 0 0 190.246 1.961 10 0 ADAERN CC1(CCC[C@H]([NH3+])C(=O)[O-])CC1 757170932 582948876 /nfs/dbraw/zinc/94/88/76/582948876.db2.gz OUAPNLLHPQKQER-ZETCQYMHSA-N 0 0 171.240 1.369 10 0 ADAERN CCC1(CC)NCC(F)(F)CO1 757154278 582944667 /nfs/dbraw/zinc/94/46/67/582944667.db2.gz ZRYBOZNHTQPSQL-UHFFFAOYSA-N 0 0 179.210 1.758 10 0 ADAERN C[C@]([NH3+])(CC(=O)[O-])C1CC(F)(F)C1 757154871 582945350 /nfs/dbraw/zinc/94/53/50/582945350.db2.gz MUZFVXVQDZGPLE-ZETCQYMHSA-N 0 0 193.193 1.224 10 0 ADAERN Cc1cc(CN(C)N)ccc1Cl 757156128 582945538 /nfs/dbraw/zinc/94/55/38/582945538.db2.gz HQMMFRAALLTWEG-UHFFFAOYSA-N 0 0 184.670 1.954 10 0 ADAERN C[C@@]([NH3+])(CC(=O)[O-])C1CC(F)(F)C1 757154870 582945583 /nfs/dbraw/zinc/94/55/83/582945583.db2.gz MUZFVXVQDZGPLE-SSDOTTSWSA-N 0 0 193.193 1.224 10 0 ADAERN CC(C)SC[C@@](C)([NH3+])CC(=O)[O-] 757154647 582945667 /nfs/dbraw/zinc/94/56/67/582945667.db2.gz WKDMPABUQPJFCY-QMMMGPOBSA-N 0 0 191.296 1.320 10 0 ADAERN CC(C)SC[C@](C)([NH3+])CC(=O)[O-] 757154646 582945940 /nfs/dbraw/zinc/94/59/40/582945940.db2.gz WKDMPABUQPJFCY-MRVPVSSYSA-N 0 0 191.296 1.320 10 0 ADAERN Cc1cc(CCNN)ccc1Cl 757161827 582946408 /nfs/dbraw/zinc/94/64/08/582946408.db2.gz XVILERBBDVBFNN-UHFFFAOYSA-N 0 0 184.670 1.654 10 0 ADAERN Cc1ccoc1CSCC(N)=O 757167269 582946887 /nfs/dbraw/zinc/94/68/87/582946887.db2.gz UGXGHGYHPAKISD-UHFFFAOYSA-N 0 0 185.248 1.307 10 0 ADAERN CO[C@H](C[NH3+])c1scnc1C 757167161 582947568 /nfs/dbraw/zinc/94/75/68/582947568.db2.gz RWXWYDUSTONZTO-ZCFIWIBFSA-N 0 0 172.253 1.098 10 0 ADAERN CO[C@H](C[NH3+])c1nc(C)c(C)s1 757166784 582947621 /nfs/dbraw/zinc/94/76/21/582947621.db2.gz GEUBHXQIOKMLKA-SSDOTTSWSA-N 0 0 186.280 1.406 10 0 ADAERN CCN(C)c1nc(C)cc(Cl)n1 757166791 582948013 /nfs/dbraw/zinc/94/80/13/582948013.db2.gz XEGRSFMKGNSVGY-UHFFFAOYSA-N 0 0 185.658 1.895 10 0 ADAERN CO[C@@H](C[NH3+])c1scnc1C 757167147 582948071 /nfs/dbraw/zinc/94/80/71/582948071.db2.gz RWXWYDUSTONZTO-LURJTMIESA-N 0 0 172.253 1.098 10 0 ADAERN CO[C@@H](C[NH3+])c1nc(C)c(C)s1 757166796 582948076 /nfs/dbraw/zinc/94/80/76/582948076.db2.gz GEUBHXQIOKMLKA-ZETCQYMHSA-N 0 0 186.280 1.406 10 0 ADAERN CCOC(=O)[C@@H](N)CC1CC(C)C1 757174613 582948309 /nfs/dbraw/zinc/94/83/09/582948309.db2.gz LLJQHIAHLHTHRW-HACHORDNSA-N 0 0 185.267 1.313 10 0 ADAERN COC(=O)[C@@H](N)CCCC1(C)CC1 757174777 582948319 /nfs/dbraw/zinc/94/83/19/582948319.db2.gz DEYNCHUATGAICQ-QMMMGPOBSA-N 0 0 185.267 1.457 10 0 ADAERN C/C=C/[C@@](C)([NH3+])[C@H](C)C(=O)[O-] 757172871 582948330 /nfs/dbraw/zinc/94/83/30/582948330.db2.gz SYIRMGOLNICFBI-IPNZIGHJSA-N 0 0 157.213 1.001 10 0 ADAERN CCOC(=O)[C@H](N)CC1CC(C)C1 757174612 582948339 /nfs/dbraw/zinc/94/83/39/582948339.db2.gz LLJQHIAHLHTHRW-AMDVSUOASA-N 0 0 185.267 1.313 10 0 ADAERN C/C=C/[C@](C)([NH3+])[C@@H](C)C(=O)[O-] 757172875 582948353 /nfs/dbraw/zinc/94/83/53/582948353.db2.gz SYIRMGOLNICFBI-SCLBYUHSSA-N 0 0 157.213 1.001 10 0 ADAERN C/C=C/[C@](C)([NH3+])[C@H](C)C(=O)[O-] 757172874 582948374 /nfs/dbraw/zinc/94/83/74/582948374.db2.gz SYIRMGOLNICFBI-LFXWPVBRSA-N 0 0 157.213 1.001 10 0 ADAERN Cc1cc(N)nn1-c1ccc(O)cc1 757170427 582948392 /nfs/dbraw/zinc/94/83/92/582948392.db2.gz CNWPTQVNCFXNEC-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN COc1ccc(-c2n[nH]cc2N)cn1 757170422 582948397 /nfs/dbraw/zinc/94/83/97/582948397.db2.gz BUFPESOWYXBPIM-UHFFFAOYSA-N 0 0 190.206 1.063 10 0 ADAERN COC(=O)[C@H](N)CCCC1(C)CC1 757174774 582948535 /nfs/dbraw/zinc/94/85/35/582948535.db2.gz DEYNCHUATGAICQ-MRVPVSSYSA-N 0 0 185.267 1.457 10 0 ADAERN [NH3+][C@@H](CCCCCC1CC1)C(=O)[O-] 757174898 582948630 /nfs/dbraw/zinc/94/86/30/582948630.db2.gz NRQFGWAAKIIIRX-VIFPVBQESA-N 0 0 185.267 1.759 10 0 ADAERN COC(=O)[C@H](N)CC(C)(C)C(F)F 757173538 582948903 /nfs/dbraw/zinc/94/89/03/582948903.db2.gz DEWPHGFLTITHDB-RXMQYKEDSA-N 0 0 195.209 1.168 10 0 ADAERN Cc1cncc(-c2n[nH]cc2N)c1 757171767 582948698 /nfs/dbraw/zinc/94/86/98/582948698.db2.gz WSTFRUUKJFZIDS-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN COC(=O)[C@@H](N)CC(C)(C)C(F)F 757173541 582948708 /nfs/dbraw/zinc/94/87/08/582948708.db2.gz DEWPHGFLTITHDB-YFKPBYRVSA-N 0 0 195.209 1.168 10 0 ADAERN CC1(C)C[C@@H]1CCC[C@H]([NH3+])C(=O)[O-] 757174900 582948722 /nfs/dbraw/zinc/94/87/22/582948722.db2.gz NUXHQIFFDCOAEK-YUMQZZPRSA-N 0 0 185.267 1.615 10 0 ADAERN Brc1cnc2cnoc2c1 757190235 582948725 /nfs/dbraw/zinc/94/87/25/582948725.db2.gz KBBYVOPMPMZLON-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN CC1(C)C[C@H]1CCC[C@H]([NH3+])C(=O)[O-] 757174899 582948766 /nfs/dbraw/zinc/94/87/66/582948766.db2.gz NUXHQIFFDCOAEK-SFYZADRCSA-N 0 0 185.267 1.615 10 0 ADAERN CC1(CCC[C@@H]([NH3+])C(=O)[O-])CC1 757170931 582948771 /nfs/dbraw/zinc/94/87/71/582948771.db2.gz OUAPNLLHPQKQER-SSDOTTSWSA-N 0 0 171.240 1.369 10 0 ADAERN O[C@@H]1CCCc2sccc2C1 757169513 582948802 /nfs/dbraw/zinc/94/88/02/582948802.db2.gz UPZJZAPDNUFZMW-MRVPVSSYSA-N 0 0 168.261 1.988 10 0 ADAERN C/C=C/[C@@](C)([NH3+])[C@@H](C)C(=O)[O-] 757172872 582948812 /nfs/dbraw/zinc/94/88/12/582948812.db2.gz SYIRMGOLNICFBI-KIEHPGSMSA-N 0 0 157.213 1.001 10 0 ADAERN O[C@H]1CCCc2sccc2C1 757169514 582948816 /nfs/dbraw/zinc/94/88/16/582948816.db2.gz UPZJZAPDNUFZMW-QMMMGPOBSA-N 0 0 168.261 1.988 10 0 ADAERN Cc1cn(-c2ccc(O)cc2)nc1N 757170903 582948840 /nfs/dbraw/zinc/94/88/40/582948840.db2.gz LVTRUXDSPJWBDQ-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN [NH3+][C@H](CC1CCC=CCC1)C(=O)[O-] 757174614 582948844 /nfs/dbraw/zinc/94/88/44/582948844.db2.gz NEZGRHLPKOCXFG-SECBINFHSA-N 0 0 183.251 1.535 10 0 ADAERN [NH3+][C@H](CCCCCC1CC1)C(=O)[O-] 757174897 582948955 /nfs/dbraw/zinc/94/89/55/582948955.db2.gz NRQFGWAAKIIIRX-SECBINFHSA-N 0 0 185.267 1.759 10 0 ADAERN Cn1cc(C=O)c(CC2CC2)n1 757176048 582949351 /nfs/dbraw/zinc/94/93/51/582949351.db2.gz XBBDNZKVGLJEAM-UHFFFAOYSA-N 0 0 164.208 1.185 10 0 ADAERN COC(=O)C=C1CC(CF)(CF)C1 757187982 582949141 /nfs/dbraw/zinc/94/91/41/582949141.db2.gz HIQYQYKCZAOCSS-UHFFFAOYSA-N 0 0 190.189 1.805 10 0 ADAERN Cc1ccc(N)c2c1C(=O)[C@H](C)O2 757175641 582949160 /nfs/dbraw/zinc/94/91/60/582949160.db2.gz DONXCBJTJOFVTN-LURJTMIESA-N 0 0 177.203 1.541 10 0 ADAERN Cc1cc(N)cc2c1O[C@H](C)C2=O 757176028 582949183 /nfs/dbraw/zinc/94/91/83/582949183.db2.gz TXGRNILRMZBWKT-ZCFIWIBFSA-N 0 0 177.203 1.541 10 0 ADAERN CCOC(=O)/C=C(/C)C1CCOCC1 757189921 582949213 /nfs/dbraw/zinc/94/92/13/582949213.db2.gz IUMOGBOPPHHJMA-HJWRWDBZSA-N 0 0 198.262 1.922 10 0 ADAERN Cc1cc(N)cc2c1O[C@@H](C)C2=O 757176027 582949224 /nfs/dbraw/zinc/94/92/24/582949224.db2.gz TXGRNILRMZBWKT-LURJTMIESA-N 0 0 177.203 1.541 10 0 ADAERN CC1(C)C[C@@H]1CCC[C@@H]([NH3+])C(=O)[O-] 757175177 582949357 /nfs/dbraw/zinc/94/93/57/582949357.db2.gz NUXHQIFFDCOAEK-JGVFFNPUSA-N 0 0 185.267 1.615 10 0 ADAERN CCOC(=O)/C=C1/CCOC1(C)C 757185855 582949314 /nfs/dbraw/zinc/94/93/14/582949314.db2.gz UIHXJHZSTBQABS-FPLPWBNLSA-N 0 0 184.235 1.675 10 0 ADAERN Cc1ccc(N)c2c1C(=O)[C@@H](C)O2 757175645 582949323 /nfs/dbraw/zinc/94/93/23/582949323.db2.gz DONXCBJTJOFVTN-ZCFIWIBFSA-N 0 0 177.203 1.541 10 0 ADAERN CC[C@H](C)c1nn(C)cc1CO 757175930 582949328 /nfs/dbraw/zinc/94/93/28/582949328.db2.gz NDEPSVLPAIMRCY-ZETCQYMHSA-N 0 0 168.240 1.426 10 0 ADAERN COc1cc(N)c2oc(C)c(O)c2c1 757175131 582949331 /nfs/dbraw/zinc/94/93/31/582949331.db2.gz JHYYQPDLDITAFK-RXMQYKEDSA-N 0 0 193.202 1.241 10 0 ADAERN CC[C@@H]1Oc2c(C)cc(N)cc2C1=O 757175580 582949349 /nfs/dbraw/zinc/94/93/49/582949349.db2.gz BEFZJFPBXBOTEY-VIFPVBQESA-N 0 0 191.230 1.931 10 0 ADAERN CC1(C)C[C@H]1CCC[C@@H]([NH3+])C(=O)[O-] 757175176 582949350 /nfs/dbraw/zinc/94/93/50/582949350.db2.gz NUXHQIFFDCOAEK-HTQZYQBOSA-N 0 0 185.267 1.615 10 0 ADAERN CCCCCc1nn(C)cc1C=O 757175208 582949407 /nfs/dbraw/zinc/94/94/07/582949407.db2.gz BBGFQGDGPIZWHV-UHFFFAOYSA-N 0 0 180.251 1.965 10 0 ADAERN Cn1cc(CO)c(C2CCCC2)n1 757175569 582949410 /nfs/dbraw/zinc/94/94/10/582949410.db2.gz KNWIUBKKFUJPJG-UHFFFAOYSA-N 0 0 180.251 1.570 10 0 ADAERN CCOC(=O)/C=C1/CCCOCC1 757185904 582949484 /nfs/dbraw/zinc/94/94/84/582949484.db2.gz DGBOCRNMCGBKJR-HJWRWDBZSA-N 0 0 184.235 1.676 10 0 ADAERN CCOC(=O)C=C(C)c1c[nH]nc1C 757189975 582949489 /nfs/dbraw/zinc/94/94/89/582949489.db2.gz JDLAVXBBTVOYHC-ALCCZGGFSA-N 0 0 194.234 1.685 10 0 ADAERN CC[C@H]1Oc2c(C)cc(N)cc2C1=O 757175576 582949510 /nfs/dbraw/zinc/94/95/10/582949510.db2.gz BEFZJFPBXBOTEY-SECBINFHSA-N 0 0 191.230 1.931 10 0 ADAERN COc1cc(N)c2oc(C)c(O)c2c1 757175133 582949517 /nfs/dbraw/zinc/94/95/17/582949517.db2.gz JHYYQPDLDITAFK-YFKPBYRVSA-N 0 0 193.202 1.241 10 0 ADAERN O=C([O-])C1([C@@H]2C[NH+]3CCC2CC3)CC1 757183582 582949525 /nfs/dbraw/zinc/94/95/25/582949525.db2.gz PSTNFCNYISLWIL-SECBINFHSA-N 0 0 195.262 1.193 10 0 ADAERN CCCCCc1nn(C)cc1N 757175534 582949555 /nfs/dbraw/zinc/94/95/55/582949555.db2.gz IIAYMLJOWYCAAK-UHFFFAOYSA-N 0 0 167.256 1.735 10 0 ADAERN CC[C@H]1Oc2c(N)ccc(C)c2C1=O 757175833 582949593 /nfs/dbraw/zinc/94/95/93/582949593.db2.gz KZPGGIXMJMKLFT-MRVPVSSYSA-N 0 0 191.230 1.931 10 0 ADAERN CC[C@@H]1Oc2c(N)ccc(C)c2C1=O 757175834 582949615 /nfs/dbraw/zinc/94/96/15/582949615.db2.gz KZPGGIXMJMKLFT-QMMMGPOBSA-N 0 0 191.230 1.931 10 0 ADAERN CCOC(=O)/C=C(/C)c1cccn1C 757188942 582949632 /nfs/dbraw/zinc/94/96/32/582949632.db2.gz DYGGHFFFUIWRCS-HJWRWDBZSA-N 0 0 193.246 1.992 10 0 ADAERN CCOc1ccc2c[nH]c(=O)cc2c1 757175543 582949721 /nfs/dbraw/zinc/94/97/21/582949721.db2.gz IXRHRSMPEHYYPI-UHFFFAOYSA-N 0 0 189.214 1.927 10 0 ADAERN CCOC(=O)/C=C(\C)CCOC 757189794 582949727 /nfs/dbraw/zinc/94/97/27/582949727.db2.gz IATLRVLKHLZCLM-BQYQJAHWSA-N 0 0 172.224 1.532 10 0 ADAERN CC[C@@H](C)c1nn(C)cc1CO 757175929 582949790 /nfs/dbraw/zinc/94/97/90/582949790.db2.gz NDEPSVLPAIMRCY-SSDOTTSWSA-N 0 0 168.240 1.426 10 0 ADAERN O=C([O-])C1([C@H]2C[NH+]3CCC2CC3)CC1 757183583 582949796 /nfs/dbraw/zinc/94/97/96/582949796.db2.gz PSTNFCNYISLWIL-VIFPVBQESA-N 0 0 195.262 1.193 10 0 ADAERN CCOC(=O)/C=C1\COC(C)(C)C1 757185188 582949835 /nfs/dbraw/zinc/94/98/35/582949835.db2.gz PSWBMPNEDJYOFR-YVMONPNESA-N 0 0 184.235 1.675 10 0 ADAERN CC1(C)CCC(C(CO)CO)CC1 757193827 582949841 /nfs/dbraw/zinc/94/98/41/582949841.db2.gz ZTPQONSWWMCEPM-UHFFFAOYSA-N 0 0 186.295 1.804 10 0 ADAERN Cc1nn(C2CCC2)cc1C(N)=O 757194937 582949956 /nfs/dbraw/zinc/94/99/56/582949956.db2.gz CKQWPRYQRZSFSI-UHFFFAOYSA-N 0 0 179.223 1.015 10 0 ADAERN COC(=O)[C@@H](CO)C1CC(C)(C)C1 757192741 582949979 /nfs/dbraw/zinc/94/99/79/582949979.db2.gz RWKIWZJXYQFLRU-QMMMGPOBSA-N 0 0 186.251 1.204 10 0 ADAERN COC(=O)/C=C(/C)C(F)F 757192789 582950004 /nfs/dbraw/zinc/95/00/04/582950004.db2.gz UZOZVTWJQRYYFR-ARJAWSKDSA-N 0 0 150.124 1.371 10 0 ADAERN COC(=O)/C=C(/C)C1CCOCC1 757190930 582950012 /nfs/dbraw/zinc/95/00/12/582950012.db2.gz GJPDQQPMOIJCMX-FPLPWBNLSA-N 0 0 184.235 1.532 10 0 ADAERN CCOC(=O)/C=C(/C)[C@H]1CCOC1 757190431 582950044 /nfs/dbraw/zinc/95/00/44/582950044.db2.gz KLBBUTMVZLFQCN-XZLDQRQTSA-N 0 0 184.235 1.532 10 0 ADAERN CCOC(=O)/C=C(/C)[C@@H]1CCOC1 757190392 582950143 /nfs/dbraw/zinc/95/01/43/582950143.db2.gz KLBBUTMVZLFQCN-JGAIRUGNSA-N 0 0 184.235 1.532 10 0 ADAERN CCC(CC)[C@@H](CO)C(=O)OC 757191980 582950166 /nfs/dbraw/zinc/95/01/66/582950166.db2.gz LYJYJHZKGHORMI-MRVPVSSYSA-N 0 0 174.240 1.204 10 0 ADAERN CCOC(=O)/C=C(/C)c1ncc[nH]1 757191700 582950176 /nfs/dbraw/zinc/95/01/76/582950176.db2.gz QFTKATLMJQDYHV-SREVYHEPSA-N 0 0 180.207 1.376 10 0 ADAERN CCOC(=O)/C=C(/C)c1ncco1 757192576 582950192 /nfs/dbraw/zinc/95/01/92/582950192.db2.gz WQYPONZQRLVZHA-SREVYHEPSA-N 0 0 181.191 1.641 10 0 ADAERN COC(=O)C=C(C)c1c[nH]nc1C 757192017 582950207 /nfs/dbraw/zinc/95/02/07/582950207.db2.gz MKSMSIGYZCXOHI-XQRVVYSFSA-N 0 0 180.207 1.294 10 0 ADAERN COC(=O)/C=C(/C)c1ncco1 757190964 582950215 /nfs/dbraw/zinc/95/02/15/582950215.db2.gz GXSZHXYXSXUJEU-WAYWQWQTSA-N 0 0 167.164 1.251 10 0 ADAERN O=C1CCC[C@]12CCCOC2 757194374 582950221 /nfs/dbraw/zinc/95/02/21/582950221.db2.gz CXPRJQGTQNWHHT-SECBINFHSA-N 0 0 154.209 1.536 10 0 ADAERN COC(=O)/C=C1/CCOC12CCCC2 757191564 582950227 /nfs/dbraw/zinc/95/02/27/582950227.db2.gz IPDPOOFWRQDUCD-HJWRWDBZSA-N 0 0 196.246 1.819 10 0 ADAERN COC(=O)/C=C1/CCOC2(CCC2)C1 757191881 582950242 /nfs/dbraw/zinc/95/02/42/582950242.db2.gz KLIADZIRTXPOSP-CLFYSBASSA-N 0 0 196.246 1.819 10 0 ADAERN OCC(CO)C1CCCCCCC1 757193608 582950295 /nfs/dbraw/zinc/95/02/95/582950295.db2.gz YJGJVUSIBSHJPD-UHFFFAOYSA-N 0 0 186.295 1.948 10 0 ADAERN Cc1nn(CC(C)(C)C)cc1CO 757195561 582950299 /nfs/dbraw/zinc/95/02/99/582950299.db2.gz HCCRRQABPLZPMZ-UHFFFAOYSA-N 0 0 182.267 1.730 10 0 ADAERN COC(=O)/C=C(/C)[C@H]1CCCOC1 757190888 582950313 /nfs/dbraw/zinc/95/03/13/582950313.db2.gz GBHPWWOTBDKFSZ-XZLDQRQTSA-N 0 0 184.235 1.532 10 0 ADAERN CC/C(=C/C(=O)OC)[C@H]1CCCOC1 757191643 582950349 /nfs/dbraw/zinc/95/03/49/582950349.db2.gz KAWYMPCXEJGEIH-RNKPRXRFSA-N 0 0 198.262 1.922 10 0 ADAERN Cc1nn(CC2CC2)cc1C=O 757195912 582950375 /nfs/dbraw/zinc/95/03/75/582950375.db2.gz LGORXVQPNSUFEP-UHFFFAOYSA-N 0 0 164.208 1.414 10 0 ADAERN COC(=O)/C=C(/C)c1cncnc1C 757192207 582950377 /nfs/dbraw/zinc/95/03/77/582950377.db2.gz OWGQUDCWCPHESE-DAXSKMNVSA-N 0 0 192.218 1.361 10 0 ADAERN Cc1nn(C2CCCC2)cc1C(N)=O 757195450 582950400 /nfs/dbraw/zinc/95/04/00/582950400.db2.gz FXBUAMSNCWNVRG-UHFFFAOYSA-N 0 0 193.250 1.406 10 0 ADAERN COC(=O)/C=C(/C)c1ccc[nH]1 757192954 582950402 /nfs/dbraw/zinc/95/04/02/582950402.db2.gz WNFRAUYRYOTYRM-SREVYHEPSA-N 0 0 165.192 1.591 10 0 ADAERN COC(=O)/C=C/c1ncccc1F 757191341 582950412 /nfs/dbraw/zinc/95/04/12/582950412.db2.gz UJSCTWTYGBVWMV-SNAWJCMRSA-N 0 0 181.166 1.407 10 0 ADAERN CC/C(=C/C(=O)OC)[C@@H]1CCCOC1 757191646 582950413 /nfs/dbraw/zinc/95/04/13/582950413.db2.gz KAWYMPCXEJGEIH-UJICNMFASA-N 0 0 198.262 1.922 10 0 ADAERN COC(=O)[C@H](CO)C1CC(C)(C)C1 757192739 582950425 /nfs/dbraw/zinc/95/04/25/582950425.db2.gz RWKIWZJXYQFLRU-MRVPVSSYSA-N 0 0 186.251 1.204 10 0 ADAERN COC(=O)/C=C(/C)[C@@H]1CCCOC1 757190887 582950432 /nfs/dbraw/zinc/95/04/32/582950432.db2.gz GBHPWWOTBDKFSZ-JGAIRUGNSA-N 0 0 184.235 1.532 10 0 ADAERN CCCC[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 757208692 582951088 /nfs/dbraw/zinc/95/10/88/582951088.db2.gz APBXJLNCLAIFAF-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN CC(=O)OCC(C)(C)Br 757208183 582951100 /nfs/dbraw/zinc/95/11/00/582951100.db2.gz FQGDXTMAWSPWPU-UHFFFAOYSA-N 0 0 195.056 1.723 10 0 ADAERN Cc1nn(CC2CCC2)cc1C(N)=O 757195931 582951151 /nfs/dbraw/zinc/95/11/51/582951151.db2.gz LPLSRCNUVSHFQP-UHFFFAOYSA-N 0 0 193.250 1.091 10 0 ADAERN CCCC[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 757208689 582951271 /nfs/dbraw/zinc/95/12/71/582951271.db2.gz APBXJLNCLAIFAF-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN CCCC[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 757208696 582951502 /nfs/dbraw/zinc/95/15/02/582951502.db2.gz APBXJLNCLAIFAF-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN CC(C)C[C@@H]1CC[C@H](C(=O)[O-])[NH2+]C1 757214165 582951705 /nfs/dbraw/zinc/95/17/05/582951705.db2.gz LMWVUFCOSRXNLO-DTWKUNHWSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@H]1CC[C@@H](C(=O)[O-])[NH2+]C1 757214160 582951794 /nfs/dbraw/zinc/95/17/94/582951794.db2.gz LMWVUFCOSRXNLO-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@@H]1CC[C@@H](C(=O)[O-])[NH2+]C1 757214167 582951913 /nfs/dbraw/zinc/95/19/13/582951913.db2.gz LMWVUFCOSRXNLO-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@H]1CC[C@H](C(=O)[O-])[NH2+]C1 757214172 582952462 /nfs/dbraw/zinc/95/24/62/582952462.db2.gz LMWVUFCOSRXNLO-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@@H]1CCC[NH2+][C@@H]1C(=O)[O-] 757215797 582952778 /nfs/dbraw/zinc/95/27/78/582952778.db2.gz NMOQFBHASULLGS-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 757215322 582952788 /nfs/dbraw/zinc/95/27/88/582952788.db2.gz NAAPHIOCRQRUSW-BDAKNGLRSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)C[C@@H]1C[NH2+]C[C@H](C(=O)[O-])C1 757215324 582953121 /nfs/dbraw/zinc/95/31/21/582953121.db2.gz NAAPHIOCRQRUSW-DTWKUNHWSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)C[C@H]1C[NH2+]C[C@H](C(=O)[O-])C1 757215327 582953258 /nfs/dbraw/zinc/95/32/58/582953258.db2.gz NAAPHIOCRQRUSW-RKDXNWHRSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)C[C@H]1CCC[NH2+][C@@H]1C(=O)[O-] 757215786 582953358 /nfs/dbraw/zinc/95/33/58/582953358.db2.gz NMOQFBHASULLGS-BDAKNGLRSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@H]1CCC[NH2+][C@H]1C(=O)[O-] 757215804 582953436 /nfs/dbraw/zinc/95/34/36/582953436.db2.gz NMOQFBHASULLGS-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@@H]1CCC[NH2+][C@H]1C(=O)[O-] 757215793 582953536 /nfs/dbraw/zinc/95/35/36/582953536.db2.gz NMOQFBHASULLGS-DTWKUNHWSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)C[C@@H]1C[NH2+]C[C@@H](C(=O)[O-])C1 757215325 582953581 /nfs/dbraw/zinc/95/35/81/582953581.db2.gz NAAPHIOCRQRUSW-IUCAKERBSA-N 0 0 185.267 1.343 10 0 ADAERN CCCC[C@H]1C[C@@H](C(=O)[O-])CC[NH2+]1 757216868 582954004 /nfs/dbraw/zinc/95/40/04/582954004.db2.gz QJIZGHPMNUSSDU-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN CCCC[C@@H]1C[C@@H](C(=O)[O-])CC[NH2+]1 757216867 582954033 /nfs/dbraw/zinc/95/40/33/582954033.db2.gz QJIZGHPMNUSSDU-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN CCCC[C@@H]1C[C@H](C(=O)[O-])CC[NH2+]1 757216869 582954122 /nfs/dbraw/zinc/95/41/22/582954122.db2.gz QJIZGHPMNUSSDU-RKDXNWHRSA-N 0 0 185.267 1.629 10 0 ADAERN CCCC[C@H]1[NH2+]CCC[C@H]1C(=O)[O-] 757217161 582954230 /nfs/dbraw/zinc/95/42/30/582954230.db2.gz RGGCUUKMJMKVRH-RKDXNWHRSA-N 0 0 185.267 1.629 10 0 ADAERN CCCC[C@H]1C[C@H](C(=O)[O-])CC[NH2+]1 757216866 582954286 /nfs/dbraw/zinc/95/42/86/582954286.db2.gz QJIZGHPMNUSSDU-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN CCCC[C@@H]1[NH2+]CCC[C@@H]1C(=O)[O-] 757217159 582954304 /nfs/dbraw/zinc/95/43/04/582954304.db2.gz RGGCUUKMJMKVRH-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN CCCC[C@@H]1[NH2+]CCC[C@H]1C(=O)[O-] 757217146 582954756 /nfs/dbraw/zinc/95/47/56/582954756.db2.gz RGGCUUKMJMKVRH-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN CCCC[C@H]1[NH2+]CCC[C@@H]1C(=O)[O-] 757217158 582954804 /nfs/dbraw/zinc/95/48/04/582954804.db2.gz RGGCUUKMJMKVRH-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN CCOCCOC(=O)C[C@@H]1C=CCC1 807607142 582956227 /nfs/dbraw/zinc/95/62/27/582956227.db2.gz AIDPVWRMUSBLNW-SNVBAGLBSA-N 0 0 198.262 1.922 10 0 ADAERN CCCC(=O)OCc1nnc(CC)o1 807476296 582956259 /nfs/dbraw/zinc/95/62/59/582956259.db2.gz CQULJHROTWJKEP-UHFFFAOYSA-N 0 0 198.222 1.475 10 0 ADAERN CC1(C(=O)Nc2cn[nH]n2)CCCC1 807923733 582956319 /nfs/dbraw/zinc/95/63/19/582956319.db2.gz UZHXQQAHIAQQCN-UHFFFAOYSA-N 0 0 194.238 1.324 10 0 ADAERN CCOCCOC(=O)C[C@H]1C=CCC1 807607141 582956431 /nfs/dbraw/zinc/95/64/31/582956431.db2.gz AIDPVWRMUSBLNW-JTQLQIEISA-N 0 0 198.262 1.922 10 0 ADAERN CC(C)CCOC(=O)Cn1cccn1 807630864 582956463 /nfs/dbraw/zinc/95/64/63/582956463.db2.gz DCMWTZNCGCPCLT-UHFFFAOYSA-N 0 0 196.250 1.472 10 0 ADAERN CC1(C(=O)NN2CCCC2)CCCC1 808010040 582957125 /nfs/dbraw/zinc/95/71/25/582957125.db2.gz HUTOYQRPBISGSK-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN O=C(CC1CCCC1)O[C@H]1CNOC1 808091179 582957696 /nfs/dbraw/zinc/95/76/96/582957696.db2.gz GEZUAYLCNIDLEN-VIFPVBQESA-N 0 0 199.250 1.013 10 0 ADAERN CSCc1nc(N)c2cc[nH]c2n1 757568859 582957950 /nfs/dbraw/zinc/95/79/50/582957950.db2.gz RSRPPMABYSJLTD-UHFFFAOYSA-N 0 0 194.263 1.355 10 0 ADAERN Nc1nc(CC2CC2)nc2[nH]ccc12 757570863 582957957 /nfs/dbraw/zinc/95/79/57/582957957.db2.gz ZJHWUPOWEQOLLW-UHFFFAOYSA-N 0 0 188.234 1.444 10 0 ADAERN O=Cc1ccc(C2=CCOCC2)o1 757566705 582957965 /nfs/dbraw/zinc/95/79/65/582957965.db2.gz LBLKHKHLYBMBID-UHFFFAOYSA-N 0 0 178.187 1.896 10 0 ADAERN Clc1ccc(C2=CCOCC2)nn1 757569055 582957966 /nfs/dbraw/zinc/95/79/66/582957966.db2.gz VJKRBNQXPRTHBQ-UHFFFAOYSA-N 0 0 196.637 1.934 10 0 ADAERN Cn1cc(C2=CCOCC2)cn1 757568038 582958000 /nfs/dbraw/zinc/95/80/00/582958000.db2.gz ZJKMWYUZPKQJRA-UHFFFAOYSA-N 0 0 164.208 1.224 10 0 ADAERN CN(C(=O)[C@@H]1CC1(C)C)C1(CO)CC1 808127916 582958014 /nfs/dbraw/zinc/95/80/14/582958014.db2.gz WSIZGZHLZJWEHT-QMMMGPOBSA-N 0 0 197.278 1.016 10 0 ADAERN CC(C)n1nnc2c(=S)[nH]cnc21 757568653 582958061 /nfs/dbraw/zinc/95/80/61/582958061.db2.gz NHMLVBZWEIEBAN-UHFFFAOYSA-N 0 0 195.251 1.091 10 0 ADAERN CCNc1nc(CC)nc2[nH]ccc12 757565853 582958067 /nfs/dbraw/zinc/95/80/67/582958067.db2.gz INIWGAZCPQQKNX-UHFFFAOYSA-N 0 0 190.250 1.904 10 0 ADAERN C1=C(c2nc[nH]n2)CCCC1 757566292 582958192 /nfs/dbraw/zinc/95/81/92/582958192.db2.gz IUCMSAPSERTXQT-UHFFFAOYSA-N 0 0 149.197 1.762 10 0 ADAERN CCCCc1nc(N)c2cc[nH]c2n1 757568855 582958269 /nfs/dbraw/zinc/95/82/69/582958269.db2.gz RPBOSZLOFKJMLU-UHFFFAOYSA-N 0 0 190.250 1.834 10 0 ADAERN CC(C)(C)c1nc(N)c2cc[nH]c2n1 757568910 582958290 /nfs/dbraw/zinc/95/82/90/582958290.db2.gz SEDSHRADBCWGJL-UHFFFAOYSA-N 0 0 190.250 1.789 10 0 ADAERN O=Cc1ccc(C2=CCOCC2)cn1 757566412 582958294 /nfs/dbraw/zinc/95/82/94/582958294.db2.gz IWAPIRBXNAILID-UHFFFAOYSA-N 0 0 189.214 1.698 10 0 ADAERN CN(CN1CC(C)(C)CC1=O)C1CC1 808139254 582958319 /nfs/dbraw/zinc/95/83/19/582958319.db2.gz BNBOZLONSKWIKZ-UHFFFAOYSA-N 0 0 196.294 1.297 10 0 ADAERN CC1(C(=O)O[C@H]2CNOC2)CCCC1 808090485 582958445 /nfs/dbraw/zinc/95/84/45/582958445.db2.gz GGNLPZYMBDVCCI-QMMMGPOBSA-N 0 0 199.250 1.013 10 0 ADAERN CC(C)=CCOC(=O)c1ncccn1 808519773 582958459 /nfs/dbraw/zinc/95/84/59/582958459.db2.gz GBONZBISJKKDJH-UHFFFAOYSA-N 0 0 192.218 1.600 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)C2CCCC2)C1 809107536 582959880 /nfs/dbraw/zinc/95/98/80/582959880.db2.gz NDEUJQZXAHHKER-AOOOYVTPSA-N 0 0 198.262 1.897 10 0 ADAERN CC(C)=CCOC(=O)c1ccn(C)n1 808543337 582958771 /nfs/dbraw/zinc/95/87/71/582958771.db2.gz FBNASJPVLJZAHC-UHFFFAOYSA-N 0 0 194.234 1.543 10 0 ADAERN CCCCCOC(=O)c1cn(C)nn1 808659327 582958871 /nfs/dbraw/zinc/95/88/71/582958871.db2.gz HLVDOXKKPDNIHW-UHFFFAOYSA-N 0 0 197.238 1.162 10 0 ADAERN CC(C)=CCOC(=O)[C@@H]1CCC[C@@H]1O 808521324 582958930 /nfs/dbraw/zinc/95/89/30/582958930.db2.gz NWPRRUYMNUWRIY-ZJUUUORDSA-N 0 0 198.262 1.657 10 0 ADAERN CC(C)=CCOC(=O)Cc1ccon1 808544955 582958972 /nfs/dbraw/zinc/95/89/72/582958972.db2.gz ZWVPBOMXVUPTSB-UHFFFAOYSA-N 0 0 195.218 1.727 10 0 ADAERN CC(C)=CCOC(=O)[C@H]1CCC[C@H]1O 808521323 582958985 /nfs/dbraw/zinc/95/89/85/582958985.db2.gz NWPRRUYMNUWRIY-VHSXEESVSA-N 0 0 198.262 1.657 10 0 ADAERN Cc1nc(C(=O)O[C@@H](C)C2CC2)co1 808656942 582958997 /nfs/dbraw/zinc/95/89/97/582958997.db2.gz LXOWPFWVYJXZRA-LURJTMIESA-N 0 0 195.218 1.938 10 0 ADAERN CC(C)=CCOC(=O)[C@H]1CCC[C@@H]1O 808521322 582959210 /nfs/dbraw/zinc/95/92/10/582959210.db2.gz NWPRRUYMNUWRIY-UWVGGRQHSA-N 0 0 198.262 1.657 10 0 ADAERN CC(C)C(=O)CCN1CCO[C@@H](C)C1 808705286 582959232 /nfs/dbraw/zinc/95/92/32/582959232.db2.gz DDXSMSCOOSBEHK-JTQLQIEISA-N 0 0 199.294 1.322 10 0 ADAERN CC(C)C(=O)CCN1CCO[C@H](C)C1 808705287 582959350 /nfs/dbraw/zinc/95/93/50/582959350.db2.gz DDXSMSCOOSBEHK-SNVBAGLBSA-N 0 0 199.294 1.322 10 0 ADAERN CC(C)=CCOC(=O)[C@@H]1CCC[C@H]1O 808521321 582959462 /nfs/dbraw/zinc/95/94/62/582959462.db2.gz NWPRRUYMNUWRIY-NXEZZACHSA-N 0 0 198.262 1.657 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)/C=C/C2CC2)C1 809107005 582959681 /nfs/dbraw/zinc/95/96/81/582959681.db2.gz CGITZLJYLUGFRU-XYBNDFSHSA-N 0 0 196.246 1.673 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)[C@H](C)C2CC2)C1 809107653 582959702 /nfs/dbraw/zinc/95/97/02/582959702.db2.gz SXQQYVBKHAJJGW-QNSHHTMESA-N 0 0 198.262 1.753 10 0 ADAERN O=C(OC1CC1)c1ocnc1C1CC1 809002625 582959717 /nfs/dbraw/zinc/95/97/17/582959717.db2.gz IFZOJNCXJDTCSU-UHFFFAOYSA-N 0 0 193.202 1.871 10 0 ADAERN CC(C)[C@@H](C)OC(=O)c1cn(C)nn1 808993332 582959809 /nfs/dbraw/zinc/95/98/09/582959809.db2.gz MYCPVGHYONPYCC-SSDOTTSWSA-N 0 0 197.238 1.016 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)c2ccco2)C1 809106648 582959854 /nfs/dbraw/zinc/95/98/54/582959854.db2.gz NHNWPYQOGZBWEH-OCAPTIKFSA-N 0 0 196.202 1.614 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)/C=C\C2CC2)C1 809107002 582959913 /nfs/dbraw/zinc/95/99/13/582959913.db2.gz CGITZLJYLUGFRU-QOYVELHUSA-N 0 0 196.246 1.673 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)[C@H]2CC2(C)C)C1 809107643 582960011 /nfs/dbraw/zinc/96/00/11/582960011.db2.gz STBLFJLHWMJODA-HRDYMLBCSA-N 0 0 198.262 1.753 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)[C@@H](C)C2CC2)C1 809107654 582960016 /nfs/dbraw/zinc/96/00/16/582960016.db2.gz SXQQYVBKHAJJGW-UJNFCWOMSA-N 0 0 198.262 1.753 10 0 ADAERN CCC1(C(=O)O[C@H]2C[C@@H](OC)C2)CC1 809109181 582960026 /nfs/dbraw/zinc/96/00/26/582960026.db2.gz OSAQXGQPVRPUQH-DTORHVGOSA-N 0 0 198.262 1.897 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)CC2CCC2)C1 809107111 582960042 /nfs/dbraw/zinc/96/00/42/582960042.db2.gz DIRSJYPBPUUVPL-AOOOYVTPSA-N 0 0 198.262 1.897 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)C=C2CCC2)C1 809106510 582960068 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/nfs/dbraw/zinc/97/33/28/582973328.db2.gz MHSCNHQVZUPIRZ-UHFFFAOYSA-N 0 0 195.218 1.938 10 0 ADAERN C/C=C(\C)C(=O)N(CC)[C@@H]1CCOC1 813253110 582973352 /nfs/dbraw/zinc/97/33/52/582973352.db2.gz HAVGMFNJIFZOBZ-WXLQGSQKSA-N 0 0 197.278 1.590 10 0 ADAERN C/C=C(/C)C(=O)N1CC[C@H](O)C1(C)C 813251540 582973394 /nfs/dbraw/zinc/97/33/94/582973394.db2.gz DHAPJCKGJSECMG-RDOCRHDPSA-N 0 0 197.278 1.324 10 0 ADAERN C/C=C(/C)C(=O)N(CC)[C@@H]1CCOC1 813253111 582973419 /nfs/dbraw/zinc/97/34/19/582973419.db2.gz HAVGMFNJIFZOBZ-ZUYFITGHSA-N 0 0 197.278 1.590 10 0 ADAERN CCC1(C(=O)OC2CC(C)C2)COC1 813234881 582973421 /nfs/dbraw/zinc/97/34/21/582973421.db2.gz QMFMQHHVURTFEO-UHFFFAOYSA-N 0 0 198.262 1.755 10 0 ADAERN C/C=C(\C)C(=O)N1CC[C@@H](O)C1(C)C 813251541 582973431 /nfs/dbraw/zinc/97/34/31/582973431.db2.gz DHAPJCKGJSECMG-WHXYTISESA-N 0 0 197.278 1.324 10 0 ADAERN CO[C@H](C(=O)OC1CC(C)C1)C1CC1 813235058 582973440 /nfs/dbraw/zinc/97/34/40/582973440.db2.gz VGBXAVRARZOIII-GDRRJGKNSA-N 0 0 198.262 1.753 10 0 ADAERN CC1CC(OC(=O)c2ccnn2C)C1 813232868 582973456 /nfs/dbraw/zinc/97/34/56/582973456.db2.gz NYEYPXBAVYWRKC-UHFFFAOYSA-N 0 0 194.234 1.375 10 0 ADAERN C/C=C(\C)C(=O)N1CC[C@H](O)C1(C)C 813251539 582973472 /nfs/dbraw/zinc/97/34/72/582973472.db2.gz DHAPJCKGJSECMG-QRJSTWQJSA-N 0 0 197.278 1.324 10 0 ADAERN CC1CC(OC(=O)C[C@H]2CCCO2)C1 813230583 582973493 /nfs/dbraw/zinc/97/34/93/582973493.db2.gz CGPUPRPVPHWHFA-HWOCKDDLSA-N 0 0 198.262 1.897 10 0 ADAERN C/C=C(/C)C(=O)N(CC)[C@H]1CCOC1 813253108 582973497 /nfs/dbraw/zinc/97/34/97/582973497.db2.gz HAVGMFNJIFZOBZ-FWAPLPHYSA-N 0 0 197.278 1.590 10 0 ADAERN CC1CC(OC(=O)[C@H]2CO[C@@H](C)C2)C1 813232081 582973499 /nfs/dbraw/zinc/97/34/99/582973499.db2.gz KCLKYUVINKFCDD-APTHBXDWSA-N 0 0 198.262 1.753 10 0 ADAERN CC1CC(OC(=O)C2=CCOCC2)C1 813230423 582973538 /nfs/dbraw/zinc/97/35/38/582973538.db2.gz SHFGYVXPVKWLKO-UHFFFAOYSA-N 0 0 196.246 1.675 10 0 ADAERN CC1CC(OC(=O)[C@H]2CCCOC2)C1 813234576 582973540 /nfs/dbraw/zinc/97/35/40/582973540.db2.gz JGHLXSCYTALXHS-KYHHOPLUSA-N 0 0 198.262 1.755 10 0 ADAERN CC1CC(OC(=O)C2CCOCC2)C1 813228179 582973552 /nfs/dbraw/zinc/97/35/52/582973552.db2.gz JLTUIBYUUGUSLW-UHFFFAOYSA-N 0 0 198.262 1.755 10 0 ADAERN CC1CC(OC(=O)C[C@H]2CCOC2)C1 813231149 582973580 /nfs/dbraw/zinc/97/35/80/582973580.db2.gz SWEMNENSFWLERD-HWOCKDDLSA-N 0 0 198.262 1.755 10 0 ADAERN CO[C@@H](C)[C@@H](C)NC(=O)/C=C\C1CC1 813290263 582973584 /nfs/dbraw/zinc/97/35/84/582973584.db2.gz AJEUIICZMDMAPU-WVXMWNJGSA-N 0 0 197.278 1.492 10 0 ADAERN CC1CC(OC(=O)C[C@@H]2CCOC2)C1 813233001 582973639 /nfs/dbraw/zinc/97/36/39/582973639.db2.gz SWEMNENSFWLERD-KYHHOPLUSA-N 0 0 198.262 1.755 10 0 ADAERN CC1CC(OC(=O)[C@@H]2CCCCO2)C1 813231862 582973657 /nfs/dbraw/zinc/97/36/57/582973657.db2.gz YICVHGXZQQTGHE-RTBKNWGFSA-N 0 0 198.262 1.897 10 0 ADAERN CCO[C@@H]1C[C@H]1C(=O)OC1CC(C)C1 813231389 582973664 /nfs/dbraw/zinc/97/36/64/582973664.db2.gz FFJAVPQEJNEIRX-YDYPAMBWSA-N 0 0 198.262 1.753 10 0 ADAERN CC1CC(OC(=O)[C@@H]2CO[C@H](C)C2)C1 813232083 582973699 /nfs/dbraw/zinc/97/36/99/582973699.db2.gz KCLKYUVINKFCDD-MXAZLMSGSA-N 0 0 198.262 1.753 10 0 ADAERN CC1CC(OC(=O)c2cncnc2)C1 813231815 582973715 /nfs/dbraw/zinc/97/37/15/582973715.db2.gz WZVSILXOOMLSOQ-UHFFFAOYSA-N 0 0 192.218 1.432 10 0 ADAERN CC1CC(OC(=O)c2cccn2C)C1 813229068 582973740 /nfs/dbraw/zinc/97/37/40/582973740.db2.gz BJZRHQGXOBXWCG-UHFFFAOYSA-N 0 0 193.246 1.980 10 0 ADAERN COCC1(C(=O)OC2CC(C)C2)CC1 813231147 582973749 /nfs/dbraw/zinc/97/37/49/582973749.db2.gz SVAWPJBRRFTATB-UHFFFAOYSA-N 0 0 198.262 1.755 10 0 ADAERN CO[C@](C)(COC(=O)C1CC1)C1CC1 813188589 582973754 /nfs/dbraw/zinc/97/37/54/582973754.db2.gz QGEBZSXGPDKCRG-LLVKDONJSA-N 0 0 198.262 1.755 10 0 ADAERN C/C=C(/C)C(=O)N1CC[C@@H](O)C1(C)C 813251538 582973778 /nfs/dbraw/zinc/97/37/78/582973778.db2.gz DHAPJCKGJSECMG-BZJXQOFCSA-N 0 0 197.278 1.324 10 0 ADAERN CC1CC(OC(=O)[C@H]2CO[C@H](C)C2)C1 813232082 582973782 /nfs/dbraw/zinc/97/37/82/582973782.db2.gz KCLKYUVINKFCDD-DSAQSWLYSA-N 0 0 198.262 1.753 10 0 ADAERN CC1CC(OC(=O)[C@@]2(C)CCOC2)C1 813232231 582973791 /nfs/dbraw/zinc/97/37/91/582973791.db2.gz OAUOXMTWIUALID-AMUVOQDHSA-N 0 0 198.262 1.755 10 0 ADAERN CC1CC(OC(=O)[C@H]2CCCCO2)C1 813231863 582973806 /nfs/dbraw/zinc/97/38/06/582973806.db2.gz YICVHGXZQQTGHE-UDNWOFFPSA-N 0 0 198.262 1.897 10 0 ADAERN CC1CC(OC(=O)c2cnn(C)c2)C1 813231591 582973810 /nfs/dbraw/zinc/97/38/10/582973810.db2.gz OFDJVPYFUGPTEZ-UHFFFAOYSA-N 0 0 194.234 1.375 10 0 ADAERN CC1CC(OC(=O)[C@@]2(C)CCCO2)C1 813231846 582973818 /nfs/dbraw/zinc/97/38/18/582973818.db2.gz XUGVGVNXMOQLTA-NWGYLPEXSA-N 0 0 198.262 1.897 10 0 ADAERN CC[C@H](CNC(=O)/C=C/C1CC1)OC 813300192 582973846 /nfs/dbraw/zinc/97/38/46/582973846.db2.gz QDTRKACSRXHSTD-VQCYPWCPSA-N 0 0 197.278 1.494 10 0 ADAERN C/C=C(\C)C(=O)N(CC)[C@H]1CCOC1 813253109 582973853 /nfs/dbraw/zinc/97/38/53/582973853.db2.gz HAVGMFNJIFZOBZ-LLGDCAAFSA-N 0 0 197.278 1.590 10 0 ADAERN CC1CC(OC(=O)C[C@@H]2CCCO2)C1 813230584 582973862 /nfs/dbraw/zinc/97/38/62/582973862.db2.gz CGPUPRPVPHWHFA-KYHHOPLUSA-N 0 0 198.262 1.897 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)OC1CC(C)C1 813231387 582973874 /nfs/dbraw/zinc/97/38/74/582973874.db2.gz FFJAVPQEJNEIRX-HORUIINNSA-N 0 0 198.262 1.753 10 0 ADAERN CC1CC(OC(=O)[C@@H]2CO[C@@H](C)C2)C1 813232084 582973886 /nfs/dbraw/zinc/97/38/86/582973886.db2.gz KCLKYUVINKFCDD-ZNHWEVIXSA-N 0 0 198.262 1.753 10 0 ADAERN CC[C@@H](CNC(=O)/C=C\C1CC1)OC 813300190 582973909 /nfs/dbraw/zinc/97/39/09/582973909.db2.gz QDTRKACSRXHSTD-GFVADAIESA-N 0 0 197.278 1.494 10 0 ADAERN CO[C@H](C)[C@@H](C)NC(=O)/C=C/C1CC1 813290262 582973913 /nfs/dbraw/zinc/97/39/13/582973913.db2.gz AJEUIICZMDMAPU-VRIGTBSNSA-N 0 0 197.278 1.492 10 0 ADAERN CC1CC(OC(=O)[C@@H]2CCCOC2)C1 813234575 582973920 /nfs/dbraw/zinc/97/39/20/582973920.db2.gz JGHLXSCYTALXHS-HWOCKDDLSA-N 0 0 198.262 1.755 10 0 ADAERN CCO[C@H]1C[C@@H]1C(=O)OC1CC(C)C1 813231388 582973934 /nfs/dbraw/zinc/97/39/34/582973934.db2.gz FFJAVPQEJNEIRX-QLEHZGMVSA-N 0 0 198.262 1.753 10 0 ADAERN CO[C@@](C)(COC(=O)C1CC1)C1CC1 813188591 582973937 /nfs/dbraw/zinc/97/39/37/582973937.db2.gz QGEBZSXGPDKCRG-NSHDSACASA-N 0 0 198.262 1.755 10 0 ADAERN CO[C@@H](C(=O)OC1CC(C)C1)C1CC1 813235059 582973939 /nfs/dbraw/zinc/97/39/39/582973939.db2.gz VGBXAVRARZOIII-YXGXMSFMSA-N 0 0 198.262 1.753 10 0 ADAERN CCO/C=C/C(=O)N1CCCC1(C)C 813402482 582974309 /nfs/dbraw/zinc/97/43/09/582974309.db2.gz MBSJJJCMZNKSRS-RMKNXTFCSA-N 0 0 197.278 1.938 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@](C)(O)C1CCC1 813437724 582974639 /nfs/dbraw/zinc/97/46/39/582974639.db2.gz ORBSXUXQXLFNQS-ZOFUNIGCSA-N 0 0 197.278 1.062 10 0 ADAERN CONC(=O)c1cc[nH]c1C1CCC1 813403451 582974833 /nfs/dbraw/zinc/97/48/33/582974833.db2.gz AELYFZAQAVWTGO-UHFFFAOYSA-N 0 0 194.234 1.573 10 0 ADAERN CCO/C=C\C(=O)N1CCCC1(C)C 813402484 582974937 /nfs/dbraw/zinc/97/49/37/582974937.db2.gz MBSJJJCMZNKSRS-TWGQIWQCSA-N 0 0 197.278 1.938 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@](C)(O)C1CCC1 813437721 582974951 /nfs/dbraw/zinc/97/49/51/582974951.db2.gz ORBSXUXQXLFNQS-BCMRRPTOSA-N 0 0 197.278 1.062 10 0 ADAERN CC1CN(C(=O)[C@@](C)(O)C2CCC2)C1 813542543 582975141 /nfs/dbraw/zinc/97/51/41/582975141.db2.gz CCHSSXNEIYMHKH-NSHDSACASA-N 0 0 197.278 1.016 10 0 ADAERN CC1CN(C(=O)[C@](C)(O)C2CCC2)C1 813542542 582975189 /nfs/dbraw/zinc/97/51/89/582975189.db2.gz CCHSSXNEIYMHKH-LLVKDONJSA-N 0 0 197.278 1.016 10 0 ADAERN CO[C@@H](C)C(=O)OCc1ocnc1C 814094911 582975714 /nfs/dbraw/zinc/97/57/14/582975714.db2.gz BJQVCBCFUVBXRH-ZETCQYMHSA-N 0 0 199.206 1.061 10 0 ADAERN Cc1ncoc1COC(=O)C1(C)CC1 814097685 582975731 /nfs/dbraw/zinc/97/57/31/582975731.db2.gz RBGUENQUVPNTTP-UHFFFAOYSA-N 0 0 195.218 1.826 10 0 ADAERN Cc1ncoc1COC(=O)[C@H]1C[C@H]1C 814096519 582975743 /nfs/dbraw/zinc/97/57/43/582975743.db2.gz BTLDNRRCHPGSGM-SVRRBLITSA-N 0 0 195.218 1.682 10 0 ADAERN Cc1ncoc1COC(=O)[C@@H]1C[C@H]1C 814096517 582975763 /nfs/dbraw/zinc/97/57/63/582975763.db2.gz BTLDNRRCHPGSGM-HTRCEHHLSA-N 0 0 195.218 1.682 10 0 ADAERN CCC(=O)OCc1oc(CC)nc1C 814071698 582975784 /nfs/dbraw/zinc/97/57/84/582975784.db2.gz PHJUDNYOFZIUSH-UHFFFAOYSA-N 0 0 197.234 1.999 10 0 ADAERN CO[C@H](C)C(=O)OCc1ocnc1C 814094910 582975791 /nfs/dbraw/zinc/97/57/91/582975791.db2.gz BJQVCBCFUVBXRH-SSDOTTSWSA-N 0 0 199.206 1.061 10 0 ADAERN CC(C)=CC(=O)OCc1ocnc1C 814095465 582975859 /nfs/dbraw/zinc/97/58/59/582975859.db2.gz FHBJKAXMKBXOIZ-UHFFFAOYSA-N 0 0 195.218 1.992 10 0 ADAERN C/C=C(\C)C(=O)OCc1ocnc1C 814096262 582975919 /nfs/dbraw/zinc/97/59/19/582975919.db2.gz VGYIDYRTNDPWJG-QPJJXVBHSA-N 0 0 195.218 1.992 10 0 ADAERN C1=CO[C@H](CN2CCO[C@@H]3C[C@@H]32)CC1 814172221 582976003 /nfs/dbraw/zinc/97/60/03/582976003.db2.gz CZUUZNXKMVLNBQ-GARJFASQSA-N 0 0 195.262 1.152 10 0 ADAERN CC[C@H](O)CNC(=O)/C=C/C(C)(C)C 814160279 582976140 /nfs/dbraw/zinc/97/61/40/582976140.db2.gz UXHZGLVAZWGYIV-UCUJLANTSA-N 0 0 199.294 1.476 10 0 ADAERN CCC/C(C)=C\C(=O)NC[C@@H](O)CC 814159855 582976199 /nfs/dbraw/zinc/97/61/99/582976199.db2.gz GRSAFAXSZGKXAF-RNKPRXRFSA-N 0 0 199.294 1.620 10 0 ADAERN CCC/C(C)=C/C(=O)NC[C@@H](O)CC 814159854 582976334 /nfs/dbraw/zinc/97/63/34/582976334.db2.gz GRSAFAXSZGKXAF-PCYYEKQGSA-N 0 0 199.294 1.620 10 0 ADAERN Cc1ncoc1COC(=O)[C@@H]1C[C@@H]1C 814096518 582976346 /nfs/dbraw/zinc/97/63/46/582976346.db2.gz BTLDNRRCHPGSGM-POYBYMJQSA-N 0 0 195.218 1.682 10 0 ADAERN Cc1ncoc1COC(=O)CC1CC1 814096196 582976386 /nfs/dbraw/zinc/97/63/86/582976386.db2.gz SSGWOVBVGHETTI-UHFFFAOYSA-N 0 0 195.218 1.826 10 0 ADAERN Cc1ncoc1COC(=O)[C@H]1C[C@@H]1C 814096520 582976426 /nfs/dbraw/zinc/97/64/26/582976426.db2.gz BTLDNRRCHPGSGM-XPUUQOCRSA-N 0 0 195.218 1.682 10 0 ADAERN C1=CO[C@H](CN2CCO[C@H]3C[C@H]32)CC1 814172219 582976431 /nfs/dbraw/zinc/97/64/31/582976431.db2.gz CZUUZNXKMVLNBQ-AXFHLTTASA-N 0 0 195.262 1.152 10 0 ADAERN CCOCC(=O)OCc1ocnc1C 814099225 582976444 /nfs/dbraw/zinc/97/64/44/582976444.db2.gz SSXFSIYRVSPPKN-UHFFFAOYSA-N 0 0 199.206 1.063 10 0 ADAERN Cc1ncoc1COC(=O)C1CCC1 814098967 582976471 /nfs/dbraw/zinc/97/64/71/582976471.db2.gz 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1.526 10 0 ADAERN CCONC(=O)[C@@H]1CCC1(C)C 820517505 583022834 /nfs/dbraw/zinc/02/28/34/583022834.db2.gz HKTJGEWCNSYBAX-ZETCQYMHSA-N 0 0 171.240 1.490 10 0 ADAERN CCONC(=O)[C@H]1CCC1(C)C 820517504 583022642 /nfs/dbraw/zinc/02/26/42/583022642.db2.gz HKTJGEWCNSYBAX-SSDOTTSWSA-N 0 0 171.240 1.490 10 0 ADAERN CCN1CCN(c2ncc(C)o2)CC1 820598492 583023229 /nfs/dbraw/zinc/02/32/29/583023229.db2.gz FHKNFPCMTVYMOU-UHFFFAOYSA-N 0 0 195.266 1.125 10 0 ADAERN Cc1cnc(NC[C@@H]2CCCO2)o1 820599655 583023099 /nfs/dbraw/zinc/02/30/99/583023099.db2.gz WMPGLVXBFYPCTE-QMMMGPOBSA-N 0 0 182.223 1.574 10 0 ADAERN Cc1cnc(N2CCO[C@@H](C)C2)o1 820615868 583023115 /nfs/dbraw/zinc/02/31/15/583023115.db2.gz HPENFDAIGXTQRJ-QMMMGPOBSA-N 0 0 182.223 1.208 10 0 ADAERN Cc1cnc(N2CCSCC2)o1 820629833 583023170 /nfs/dbraw/zinc/02/31/70/583023170.db2.gz NXOAGRGRLQMTLB-UHFFFAOYSA-N 0 0 184.264 1.536 10 0 ADAERN CC[C@H]1CN(c2ncc(C)o2)CCO1 820619242 583023172 /nfs/dbraw/zinc/02/31/72/583023172.db2.gz FIMGJILFDIOFHU-VIFPVBQESA-N 0 0 196.250 1.598 10 0 ADAERN COCCCNc1ncc(C)o1 820598969 583023186 /nfs/dbraw/zinc/02/31/86/583023186.db2.gz MZYCCOYSFKPAKD-UHFFFAOYSA-N 0 0 170.212 1.431 10 0 ADAERN CCOCCNc1ncc(C)o1 820630590 583023293 /nfs/dbraw/zinc/02/32/93/583023293.db2.gz WUBFMIDGNYDAFU-UHFFFAOYSA-N 0 0 170.212 1.431 10 0 ADAERN Cc1cnc(NC[C@H]2CCCO2)o1 820599618 583023366 /nfs/dbraw/zinc/02/33/66/583023366.db2.gz WMPGLVXBFYPCTE-MRVPVSSYSA-N 0 0 182.223 1.574 10 0 ADAERN CC(C)CCNc1cnc(CO)cn1 820598710 583023377 /nfs/dbraw/zinc/02/33/77/583023377.db2.gz HYQZZDRHRPEVPY-UHFFFAOYSA-N 0 0 195.266 1.427 10 0 ADAERN Cc1cnc(NCc2ccccn2)o1 820598890 583023424 /nfs/dbraw/zinc/02/34/24/583023424.db2.gz MDJNTFUSZCGDPT-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1cnc(N2CCC[C@H](CO)C2)o1 820598990 583023428 /nfs/dbraw/zinc/02/34/28/583023428.db2.gz NJZGRGSAKHMBKO-VIFPVBQESA-N 0 0 196.250 1.192 10 0 ADAERN CCCCCNc1cnc(CO)cn1 820598878 583023446 /nfs/dbraw/zinc/02/34/46/583023446.db2.gz LBXSWGNBTPEXJF-UHFFFAOYSA-N 0 0 195.266 1.571 10 0 ADAERN CCCCNc1cnc(CO)cn1 820598785 583023492 /nfs/dbraw/zinc/02/34/92/583023492.db2.gz JLFUZNSOEGJLGC-UHFFFAOYSA-N 0 0 181.239 1.181 10 0 ADAERN Cc1cnc(N2CCC[C@@H](CO)C2)o1 820598989 583023544 /nfs/dbraw/zinc/02/35/44/583023544.db2.gz NJZGRGSAKHMBKO-SECBINFHSA-N 0 0 196.250 1.192 10 0 ADAERN COCCNc1ncc(C)o1 820599576 583023590 /nfs/dbraw/zinc/02/35/90/583023590.db2.gz VWPAELOAMTUXCM-UHFFFAOYSA-N 0 0 156.185 1.041 10 0 ADAERN CC[C@H](CO)Nc1ncc(C)o1 820598489 583023623 /nfs/dbraw/zinc/02/36/23/583023623.db2.gz FHBPHDOZWJKZSH-SSDOTTSWSA-N 0 0 170.212 1.166 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)NC1(C(C)C)CC1 820637884 583023629 /nfs/dbraw/zinc/02/36/29/583023629.db2.gz OQPKMBLVTXELFS-RKDXNWHRSA-N 0 0 197.278 1.326 10 0 ADAERN CC[C@@H](CO)Nc1ncc(C)o1 820598490 583023633 /nfs/dbraw/zinc/02/36/33/583023633.db2.gz FHBPHDOZWJKZSH-ZETCQYMHSA-N 0 0 170.212 1.166 10 0 ADAERN CC[C@@H]1CN(c2ncc(C)o2)CCO1 820619240 583023652 /nfs/dbraw/zinc/02/36/52/583023652.db2.gz FIMGJILFDIOFHU-SECBINFHSA-N 0 0 196.250 1.598 10 0 ADAERN C=C=CCNc1cc(C)nc(C)n1 820586226 583023677 /nfs/dbraw/zinc/02/36/77/583023677.db2.gz HEWIOOLTQTTWAD-UHFFFAOYSA-N 0 0 175.235 1.846 10 0 ADAERN Cc1cnc(N2CCO[C@H](C)C2)o1 820615864 583023718 /nfs/dbraw/zinc/02/37/18/583023718.db2.gz HPENFDAIGXTQRJ-MRVPVSSYSA-N 0 0 182.223 1.208 10 0 ADAERN Cc1cnc(N2CCC(CO)CC2)o1 820629863 583023719 /nfs/dbraw/zinc/02/37/19/583023719.db2.gz OBNCCZCNGALXKC-UHFFFAOYSA-N 0 0 196.250 1.192 10 0 ADAERN Cc1cnc(N[C@@H]2C=C[C@H](CO)C2)o1 820670781 583023932 /nfs/dbraw/zinc/02/39/32/583023932.db2.gz VBNJZNWKVWISFC-DTWKUNHWSA-N 0 0 194.234 1.332 10 0 ADAERN CCC[C@H](O)CNc1ncc(C)o1 820658988 583023942 /nfs/dbraw/zinc/02/39/42/583023942.db2.gz UNBFEVHGBLZGAT-QMMMGPOBSA-N 0 0 184.239 1.556 10 0 ADAERN Cc1cnc(NC2(CO)CCC2)o1 820676695 583023959 /nfs/dbraw/zinc/02/39/59/583023959.db2.gz REUZFEGYPUYUCJ-UHFFFAOYSA-N 0 0 182.223 1.310 10 0 ADAERN Cc1cnc(N(C)CC[C@@H](C)O)o1 820670790 583024056 /nfs/dbraw/zinc/02/40/56/583024056.db2.gz VJIDOUBJWWZQMI-SSDOTTSWSA-N 0 0 184.239 1.190 10 0 ADAERN Cc1cnc(N[C@H](C)CCO)o1 820663940 583024083 /nfs/dbraw/zinc/02/40/83/583024083.db2.gz FWQDEZXVVDJZKR-ZCFIWIBFSA-N 0 0 170.212 1.166 10 0 ADAERN CCCN(CCO)c1ncc(C)o1 820664730 583024094 /nfs/dbraw/zinc/02/40/94/583024094.db2.gz QXASSQBTQBDCEI-UHFFFAOYSA-N 0 0 184.239 1.192 10 0 ADAERN CC[C@](C)(O)CNc1ncc(C)o1 820645735 583024114 /nfs/dbraw/zinc/02/41/14/583024114.db2.gz YZHSGKWCTNNYKS-VIFPVBQESA-N 0 0 184.239 1.556 10 0 ADAERN Cc1cnc(NC[C@H](C)CCO)o1 820670173 583024117 /nfs/dbraw/zinc/02/41/17/583024117.db2.gz JHKKXUVTUNCCQA-SSDOTTSWSA-N 0 0 184.239 1.413 10 0 ADAERN CC[C@@](C)(O)CNc1ncc(C)o1 820645733 583024148 /nfs/dbraw/zinc/02/41/48/583024148.db2.gz YZHSGKWCTNNYKS-SECBINFHSA-N 0 0 184.239 1.556 10 0 ADAERN Cc1cc(CNc2ncc(C)o2)on1 820639556 583024188 /nfs/dbraw/zinc/02/41/88/583024188.db2.gz ITQPKVAJYPFEMY-UHFFFAOYSA-N 0 0 193.206 1.892 10 0 ADAERN Cc1cnc(N2CCCO[C@H](C)C2)o1 820651505 583024212 /nfs/dbraw/zinc/02/42/12/583024212.db2.gz HHRBNBBWENLQMX-SECBINFHSA-N 0 0 196.250 1.598 10 0 ADAERN Cc1cnc(NC[C@@H](O)C2CC2)o1 820651100 583024226 /nfs/dbraw/zinc/02/42/26/583024226.db2.gz BBTUGMUFNMAJDQ-MRVPVSSYSA-N 0 0 182.223 1.166 10 0 ADAERN CCC[C@@H](O)CNc1ncc(C)o1 820658987 583024232 /nfs/dbraw/zinc/02/42/32/583024232.db2.gz UNBFEVHGBLZGAT-MRVPVSSYSA-N 0 0 184.239 1.556 10 0 ADAERN Cc1cnc(N2CCCO[C@@H](C)C2)o1 820651508 583024268 /nfs/dbraw/zinc/02/42/68/583024268.db2.gz HHRBNBBWENLQMX-VIFPVBQESA-N 0 0 196.250 1.598 10 0 ADAERN Cc1cnc(N2CC[C@@H](C)C2)o1 820677480 583024271 /nfs/dbraw/zinc/02/42/71/583024271.db2.gz WETVBCPRRFZTKW-SSDOTTSWSA-N 0 0 166.224 1.829 10 0 ADAERN Cc1cnc(N2CCCSCC2)o1 820639337 583024285 /nfs/dbraw/zinc/02/42/85/583024285.db2.gz FRORMVHMFIYSJT-UHFFFAOYSA-N 0 0 198.291 1.926 10 0 ADAERN Cc1cnc(N2CCC(C)(O)CC2)o1 820674985 583024305 /nfs/dbraw/zinc/02/43/05/583024305.db2.gz DGEPNKYSMABBTL-UHFFFAOYSA-N 0 0 196.250 1.334 10 0 ADAERN Cc1cnc(N[C@@H](C)CCO)o1 820663938 583024307 /nfs/dbraw/zinc/02/43/07/583024307.db2.gz FWQDEZXVVDJZKR-LURJTMIESA-N 0 0 170.212 1.166 10 0 ADAERN COCCCN(C)c1ncc(C)o1 820639331 583024321 /nfs/dbraw/zinc/02/43/21/583024321.db2.gz FNNYPXPRVZTUNA-UHFFFAOYSA-N 0 0 184.239 1.456 10 0 ADAERN Cc1cnc(N2CC[C@H](C)C2)o1 820677481 583024322 /nfs/dbraw/zinc/02/43/22/583024322.db2.gz WETVBCPRRFZTKW-ZETCQYMHSA-N 0 0 166.224 1.829 10 0 ADAERN CNc1cccc2c1OCC[C@@H]2O 820706244 583024323 /nfs/dbraw/zinc/02/43/23/583024323.db2.gz LFJZJHNMGAVQFD-VIFPVBQESA-N 0 0 179.219 1.544 10 0 ADAERN CCC(O)(CC)CNc1ncc(C)o1 820644927 583024331 /nfs/dbraw/zinc/02/43/31/583024331.db2.gz LYRBTUYRJJSVQS-UHFFFAOYSA-N 0 0 198.266 1.946 10 0 ADAERN Cc1cnc(N(C)CC(C)(C)O)o1 820664229 583024339 /nfs/dbraw/zinc/02/43/39/583024339.db2.gz LAHQHKGZHRNKLH-UHFFFAOYSA-N 0 0 184.239 1.190 10 0 ADAERN Cc1cnc(N(C)CC[C@H](C)O)o1 820670791 583024345 /nfs/dbraw/zinc/02/43/45/583024345.db2.gz VJIDOUBJWWZQMI-ZETCQYMHSA-N 0 0 184.239 1.190 10 0 ADAERN Cc1cnc(N2CCC[C@@](C)(O)C2)o1 820681357 583024351 /nfs/dbraw/zinc/02/43/51/583024351.db2.gz ITGABTALIIRTHT-SNVBAGLBSA-N 0 0 196.250 1.334 10 0 ADAERN CNc1cccc2c1OCC[C@H]2O 820706243 583024353 /nfs/dbraw/zinc/02/43/53/583024353.db2.gz LFJZJHNMGAVQFD-SECBINFHSA-N 0 0 179.219 1.544 10 0 ADAERN Cc1cnc(N2CCC[C@](C)(O)C2)o1 820681356 583024361 /nfs/dbraw/zinc/02/43/61/583024361.db2.gz ITGABTALIIRTHT-JTQLQIEISA-N 0 0 196.250 1.334 10 0 ADAERN CC[C@@H](CCO)CNc1ncc(C)o1 820676231 583024371 /nfs/dbraw/zinc/02/43/71/583024371.db2.gz OQPOOKSMDSOGOS-VIFPVBQESA-N 0 0 198.266 1.804 10 0 ADAERN Cc1cnc(NCC2(C)COC2)o1 820658657 583024420 /nfs/dbraw/zinc/02/44/20/583024420.db2.gz QLDKDWKTZQENPA-UHFFFAOYSA-N 0 0 182.223 1.431 10 0 ADAERN Cc1cnc(NCC2CCOCC2)o1 820644541 583024466 /nfs/dbraw/zinc/02/44/66/583024466.db2.gz CYRJDNHUDWEBAV-UHFFFAOYSA-N 0 0 196.250 1.822 10 0 ADAERN CC[C@H](CCO)CNc1ncc(C)o1 820676230 583024484 /nfs/dbraw/zinc/02/44/84/583024484.db2.gz OQPOOKSMDSOGOS-SECBINFHSA-N 0 0 198.266 1.804 10 0 ADAERN Cc1cnc(NC[C@H](O)C2CC2)o1 820651102 583024503 /nfs/dbraw/zinc/02/45/03/583024503.db2.gz BBTUGMUFNMAJDQ-QMMMGPOBSA-N 0 0 182.223 1.166 10 0 ADAERN CONC(=O)[C@H](C)Cc1ccco1 820844878 583024767 /nfs/dbraw/zinc/02/47/67/583024767.db2.gz OXYXMFVOXVQFCR-SSDOTTSWSA-N 0 0 183.207 1.136 10 0 ADAERN CONC(=O)C1CC2(C1)CC2(F)F 820845080 583024925 /nfs/dbraw/zinc/02/49/25/583024925.db2.gz SLIXVJHWTHGMPG-UHFFFAOYSA-N 0 0 191.177 1.099 10 0 ADAERN CN(C)C(=O)C1CC2(C1)CC2(F)F 820755359 583025056 /nfs/dbraw/zinc/02/50/56/583025056.db2.gz JKXVZLCVRVQSFS-UHFFFAOYSA-N 0 0 189.205 1.510 10 0 ADAERN CONC(=O)[C@@]1(C)CC=C(C)CC1 820844570 583025068 /nfs/dbraw/zinc/02/50/68/583025068.db2.gz IXXNVOHSAAXVBI-JTQLQIEISA-N 0 0 183.251 1.801 10 0 ADAERN CONC(=O)[C@]1(C)CC=C(C)CC1 820844571 583025090 /nfs/dbraw/zinc/02/50/90/583025090.db2.gz IXXNVOHSAAXVBI-SNVBAGLBSA-N 0 0 183.251 1.801 10 0 ADAERN CONC(=O)[C@@H](C)Cc1ccco1 820844879 583025148 /nfs/dbraw/zinc/02/51/48/583025148.db2.gz OXYXMFVOXVQFCR-ZETCQYMHSA-N 0 0 183.207 1.136 10 0 ADAERN CN(C)C(=O)c1ccc(CF)cc1 820760544 583025154 /nfs/dbraw/zinc/02/51/54/583025154.db2.gz HLLRBZHXXIENHR-UHFFFAOYSA-N 0 0 181.210 1.858 10 0 ADAERN CNC(=O)C1CC2(C1)CC2(F)F 820762072 583025284 /nfs/dbraw/zinc/02/52/84/583025284.db2.gz WPJAVACQHYWQEM-UHFFFAOYSA-N 0 0 175.178 1.168 10 0 ADAERN CONC(=O)C(C)(C)CC(F)(F)F 820844187 583025316 /nfs/dbraw/zinc/02/53/16/583025316.db2.gz BMMYSVXTTSXISQ-UHFFFAOYSA-N 0 0 199.172 1.643 10 0 ADAERN CONC(=O)C1CCC(C2CC2)CC1 820844876 583025382 /nfs/dbraw/zinc/02/53/82/583025382.db2.gz OXGQGVKDKFXLNX-UHFFFAOYSA-N 0 0 197.278 1.880 10 0 ADAERN CC1(F)CN(C(=O)N[C@@H]2C=CCC2)C1 821068996 583025738 /nfs/dbraw/zinc/02/57/38/583025738.db2.gz XRWGHYREILUWJX-MRVPVSSYSA-N 0 0 198.241 1.458 10 0 ADAERN CONC(=O)[C@H]1CCC1(C)C 820845517 583025762 /nfs/dbraw/zinc/02/57/62/583025762.db2.gz YWPPWPROPWBJDF-ZCFIWIBFSA-N 0 0 157.213 1.100 10 0 ADAERN CONC(=O)[C@@H]1CCC1(C)C 820845516 583025790 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CCO/C=C\C(=O)OCc1cn[nH]c1 840588869 583110234 /nfs/dbraw/zinc/11/02/34/583110234.db2.gz OISTXGKSHYIPGT-ARJAWSKDSA-N 0 0 196.206 1.003 10 0 ADAERN CCO/C=C\C(=O)OCc1cc[nH]n1 840589461 583110257 /nfs/dbraw/zinc/11/02/57/583110257.db2.gz QYWQPEJOOVEDHM-XQRVVYSFSA-N 0 0 196.206 1.003 10 0 ADAERN CCO/C=C/C(=O)OCC(=O)C1CC1 840584392 583110294 /nfs/dbraw/zinc/11/02/94/583110294.db2.gz FHQYKGZRLXSBPK-AATRIKPKSA-N 0 0 198.218 1.059 10 0 ADAERN CCO/C=C\C(=O)OCC(=O)C1CC1 840584393 583110321 /nfs/dbraw/zinc/11/03/21/583110321.db2.gz FHQYKGZRLXSBPK-WAYWQWQTSA-N 0 0 198.218 1.059 10 0 ADAERN C/C=C(/C)C(=O)Nc1nccn1C 840528733 583110330 /nfs/dbraw/zinc/11/03/30/583110330.db2.gz QOYIVBCUVREBQS-DAXSKMNVSA-N 0 0 179.223 1.325 10 0 ADAERN O[C@H](Cn1cc(Cl)cn1)C1CC1 840750687 583110332 /nfs/dbraw/zinc/11/03/32/583110332.db2.gz TVSADJAPPUGOHJ-MRVPVSSYSA-N 0 0 186.642 1.307 10 0 ADAERN CC/C(C)=C\C(=O)Nc1nccn1C 840528563 583110345 /nfs/dbraw/zinc/11/03/45/583110345.db2.gz QEWZWCWBDCBWAD-FPLPWBNLSA-N 0 0 193.250 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840764904 583111228 /nfs/dbraw/zinc/11/12/28/583111228.db2.gz YRRNZQOYIKMHBD-QMMMGPOBSA-N 0 0 191.230 1.928 10 0 ADAERN FC[C@@H]1CN(Cc2ccoc2)CCO1 840954056 583111236 /nfs/dbraw/zinc/11/12/36/583111236.db2.gz FXLHHBRREGBEHK-SNVBAGLBSA-N 0 0 199.225 1.450 10 0 ADAERN CC[C@@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(=O)[O-] 840996246 583111294 /nfs/dbraw/zinc/11/12/94/583111294.db2.gz IHTYYHIBNPBTNR-IVZWLZJFSA-N 0 0 199.294 1.874 10 0 ADAERN FC[C@H]1CN(Cc2ccoc2)CCO1 840954051 583111305 /nfs/dbraw/zinc/11/13/05/583111305.db2.gz FXLHHBRREGBEHK-JTQLQIEISA-N 0 0 199.225 1.450 10 0 ADAERN CC[C@@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(=O)[O-] 840996244 583111325 /nfs/dbraw/zinc/11/13/25/583111325.db2.gz IHTYYHIBNPBTNR-AEJSXWLSSA-N 0 0 199.294 1.874 10 0 ADAERN CCO/C=C/C(=O)N(C)[C@@H](C)C1CC1 841025641 583111772 /nfs/dbraw/zinc/11/17/72/583111772.db2.gz DGUXJCCZPBLQBU-FLOXNTQESA-N 0 0 197.278 1.794 10 0 ADAERN CCO/C=C\C(=O)N(C)CC(F)F 841105960 583111843 /nfs/dbraw/zinc/11/18/43/583111843.db2.gz 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/nfs/dbraw/zinc/22/35/28/583223528.db2.gz GSUQYLYCVZWTAC-SFYZADRCSA-N 0 0 195.241 1.850 10 0 ADAERN C[C@H]1CCN(c2cnc(F)cn2)[C@H]1C 853404137 583223579 /nfs/dbraw/zinc/22/35/79/583223579.db2.gz GSUQYLYCVZWTAC-YUMQZZPRSA-N 0 0 195.241 1.850 10 0 ADAERN CCOC[C@H](C)Nc1cnc(F)cn1 853484996 583224931 /nfs/dbraw/zinc/22/49/31/583224931.db2.gz DDAVQUNOKSTCQR-ZETCQYMHSA-N 0 0 199.229 1.453 10 0 ADAERN CC1CN(c2cnc(F)cn2)C1 853481014 583225207 /nfs/dbraw/zinc/22/52/07/583225207.db2.gz SNBDHUNYAPKSFL-UHFFFAOYSA-N 0 0 167.187 1.072 10 0 ADAERN Fc1cnc(N2CC=CCC2)cn1 853471171 583225274 /nfs/dbraw/zinc/22/52/74/583225274.db2.gz GCDFHLGJIHVTDF-UHFFFAOYSA-N 0 0 179.198 1.382 10 0 ADAERN C[C@H](O)C(C)(C)Nc1cnc(F)cn1 853460233 583225602 /nfs/dbraw/zinc/22/56/02/583225602.db2.gz HLTYCIPCWVNENT-LURJTMIESA-N 0 0 199.229 1.187 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1cnc(F)cn1 853460235 583225637 /nfs/dbraw/zinc/22/56/37/583225637.db2.gz HLTYCIPCWVNENT-ZCFIWIBFSA-N 0 0 199.229 1.187 10 0 ADAERN CC(C)C1CN(c2cnc(F)cn2)C1 853457675 583225642 /nfs/dbraw/zinc/22/56/42/583225642.db2.gz FMZPRSPPSBZHTD-UHFFFAOYSA-N 0 0 195.241 1.708 10 0 ADAERN C[C@H]1C[C@@H](C)N1c1cc(F)ncn1 853560517 583225777 /nfs/dbraw/zinc/22/57/77/583225777.db2.gz VQTZQUBBAJVUCE-KNVOCYPGSA-N 0 0 181.214 1.603 10 0 ADAERN C[C@H]1C[C@H](C)N1c1cnc(F)cn1 853560222 583225786 /nfs/dbraw/zinc/22/57/86/583225786.db2.gz RUYYSTFETFUTHH-BQBZGAKWSA-N 0 0 181.214 1.603 10 0 ADAERN C[C@H]1C[C@H](C)N1c1cc(F)ncn1 853560516 583226004 /nfs/dbraw/zinc/22/60/04/583226004.db2.gz VQTZQUBBAJVUCE-BQBZGAKWSA-N 0 0 181.214 1.603 10 0 ADAERN Fc1cnc(N[C@H]2[C@H]3CCC[C@H]32)cn1 853545736 583226054 /nfs/dbraw/zinc/22/60/54/583226054.db2.gz FWUFIECQVWUPRH-LYIWLLOFSA-N 0 0 193.225 1.826 10 0 ADAERN Fc1cnc(N[C@@H]2[C@H]3CCC[C@H]32)cn1 853545737 583226075 /nfs/dbraw/zinc/22/60/75/583226075.db2.gz FWUFIECQVWUPRH-MTBHXBHISA-N 0 0 193.225 1.826 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cnc(F)cn1 853620773 583226268 /nfs/dbraw/zinc/22/62/68/583226268.db2.gz DCOJPISVWMHCBE-BQBZGAKWSA-N 0 0 181.214 1.826 10 0 ADAERN Fc1cnc(N2CC[C@H]3C[C@H]32)cn1 853569028 583226103 /nfs/dbraw/zinc/22/61/03/583226103.db2.gz GPAHOMYODXLGIS-NKWVEPMBSA-N 0 0 179.198 1.214 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cnc(F)cn1 853620775 583226160 /nfs/dbraw/zinc/22/61/60/583226160.db2.gz DCOJPISVWMHCBE-RNFRBKRXSA-N 0 0 181.214 1.826 10 0 ADAERN Fc1cnc(N2CCC[C@@H]3C[C@@H]32)cn1 853612268 583226167 /nfs/dbraw/zinc/22/61/67/583226167.db2.gz GFAQIHMVJKBZMF-SFYZADRCSA-N 0 0 193.225 1.604 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cnc(F)cn1 853620776 583226199 /nfs/dbraw/zinc/22/61/99/583226199.db2.gz DCOJPISVWMHCBE-RQJHMYQMSA-N 0 0 181.214 1.826 10 0 ADAERN CC1(F)CN(c2cc(F)ncn2)C1 853557983 583226225 /nfs/dbraw/zinc/22/62/25/583226225.db2.gz DMGLJTWBNRMBSX-UHFFFAOYSA-N 0 0 185.177 1.164 10 0 ADAERN C[C@@H]1C[C@@H](C)N1c1cc(F)ncn1 853560518 583226237 /nfs/dbraw/zinc/22/62/37/583226237.db2.gz VQTZQUBBAJVUCE-RNFRBKRXSA-N 0 0 181.214 1.603 10 0 ADAERN Fc1cnc(N2CCCCCO2)cn1 853525506 583226248 /nfs/dbraw/zinc/22/62/48/583226248.db2.gz XJKFTIDMSAMCGC-UHFFFAOYSA-N 0 0 197.213 1.538 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cnc(F)cn1 853620774 583226308 /nfs/dbraw/zinc/22/63/08/583226308.db2.gz DCOJPISVWMHCBE-NKWVEPMBSA-N 0 0 181.214 1.826 10 0 ADAERN Fc1cnc(N2CC[C@@H]3C[C@@H]32)cn1 853569030 583226334 /nfs/dbraw/zinc/22/63/34/583226334.db2.gz GPAHOMYODXLGIS-RQJHMYQMSA-N 0 0 179.198 1.214 10 0 ADAERN Fc1cc(N[C@@H]2[C@H]3CCC[C@H]32)ncn1 853547014 583226353 /nfs/dbraw/zinc/22/63/53/583226353.db2.gz QNJAUZRETSFPDO-MTBHXBHISA-N 0 0 193.225 1.826 10 0 ADAERN C[C@H]1C[C@@H](C)N1c1cnc(F)cn1 853560223 583226424 /nfs/dbraw/zinc/22/64/24/583226424.db2.gz RUYYSTFETFUTHH-KNVOCYPGSA-N 0 0 181.214 1.603 10 0 ADAERN Cc1cnc(N2CC[C@@H]3C[C@@H]32)nc1 853569131 583226428 /nfs/dbraw/zinc/22/64/28/583226428.db2.gz JWZZRBFYMVZGNP-BDAKNGLRSA-N 0 0 175.235 1.384 10 0 ADAERN Fc1cc(N2CCCCCO2)ncn1 853524725 583226452 /nfs/dbraw/zinc/22/64/52/583226452.db2.gz ORLGTVWUPUWADO-UHFFFAOYSA-N 0 0 197.213 1.538 10 0 ADAERN c1cnc(N2CC[C@@H]3C[C@@H]32)cn1 853569094 583226494 /nfs/dbraw/zinc/22/64/94/583226494.db2.gz IROYGCBQCZRXHD-SFYZADRCSA-N 0 0 161.208 1.075 10 0 ADAERN Cc1cnc(N2CC[C@H]3C[C@H]32)nc1 853569132 583226531 /nfs/dbraw/zinc/22/65/31/583226531.db2.gz JWZZRBFYMVZGNP-DTWKUNHWSA-N 0 0 175.235 1.384 10 0 ADAERN CC1(F)CN(c2cnc(F)cn2)C1 853560817 583226536 /nfs/dbraw/zinc/22/65/36/583226536.db2.gz YAEGXRFIBOQZPW-UHFFFAOYSA-N 0 0 185.177 1.164 10 0 ADAERN Fc1cc(N[C@H]2[C@H]3CCC[C@H]32)ncn1 853547013 583226569 /nfs/dbraw/zinc/22/65/69/583226569.db2.gz QNJAUZRETSFPDO-LYIWLLOFSA-N 0 0 193.225 1.826 10 0 ADAERN Fc1cnc(N2CCC3(CC3)C2)cn1 853569257 583226559 /nfs/dbraw/zinc/22/65/59/583226559.db2.gz NTPWGVXSLIQPNH-UHFFFAOYSA-N 0 0 193.225 1.606 10 0 ADAERN c1cnc(N2CC[C@H]3C[C@H]32)cn1 853569093 583226564 /nfs/dbraw/zinc/22/65/64/583226564.db2.gz IROYGCBQCZRXHD-JGVFFNPUSA-N 0 0 161.208 1.075 10 0 ADAERN C[C@@H]1C[C@@H](C)N1c1cnc(F)cn1 853560224 583226605 /nfs/dbraw/zinc/22/66/05/583226605.db2.gz RUYYSTFETFUTHH-RNFRBKRXSA-N 0 0 181.214 1.603 10 0 ADAERN Fc1cnc(N2CCC[C@H]3C[C@H]32)cn1 853612267 583226659 /nfs/dbraw/zinc/22/66/59/583226659.db2.gz GFAQIHMVJKBZMF-JGVFFNPUSA-N 0 0 193.225 1.604 10 0 ADAERN Fc1cc(N2CC(C3CC3)C2)ncn1 853638697 583226840 /nfs/dbraw/zinc/22/68/40/583226840.db2.gz CFGUYGPBPHOVID-UHFFFAOYSA-N 0 0 193.225 1.462 10 0 ADAERN FCCCCNc1cnc(F)cn1 853639637 583226925 /nfs/dbraw/zinc/22/69/25/583226925.db2.gz PSACKMFYKTYTAF-UHFFFAOYSA-N 0 0 187.193 1.777 10 0 ADAERN CC(=O)NOCCC=C(C)C 853660567 583227032 /nfs/dbraw/zinc/22/70/32/583227032.db2.gz CEXRGDPBNYQLHR-UHFFFAOYSA-N 0 0 157.213 1.410 10 0 ADAERN C[C@H](F)CCNc1cnc(F)cn1 853649013 583227051 /nfs/dbraw/zinc/22/70/51/583227051.db2.gz RQJYDBCUYVGRIP-LURJTMIESA-N 0 0 187.193 1.776 10 0 ADAERN CC[C@H]1CCN1c1cnc(F)cn1 853645197 583227059 /nfs/dbraw/zinc/22/70/59/583227059.db2.gz RAZWPQUHNMHBJL-ZETCQYMHSA-N 0 0 181.214 1.604 10 0 ADAERN Fc1cc(N2CC[C@@H]2C2CC2)ncn1 853654892 583227141 /nfs/dbraw/zinc/22/71/41/583227141.db2.gz YHIIBYYWZKGXPC-MRVPVSSYSA-N 0 0 193.225 1.604 10 0 ADAERN C[C@H]1CN(c2cnc(F)cn2)[C@H]1C 853649858 583227145 /nfs/dbraw/zinc/22/71/45/583227145.db2.gz FZQPYJQLQYLFQO-BQBZGAKWSA-N 0 0 181.214 1.460 10 0 ADAERN CC[C@@H]1CCN1c1cc(F)ncn1 853644945 583227162 /nfs/dbraw/zinc/22/71/62/583227162.db2.gz GIOWNZIPMIGKHJ-SSDOTTSWSA-N 0 0 181.214 1.604 10 0 ADAERN Cc1ccnc(N2CC[C@H]2C(F)F)n1 853650386 583227169 /nfs/dbraw/zinc/22/71/69/583227169.db2.gz PSKLNFXHXJTCBE-ZETCQYMHSA-N 0 0 199.204 1.629 10 0 ADAERN C[C@@H](F)CCNc1cnc(F)cn1 853649014 583227196 /nfs/dbraw/zinc/22/71/96/583227196.db2.gz RQJYDBCUYVGRIP-ZCFIWIBFSA-N 0 0 187.193 1.776 10 0 ADAERN Fc1cnc(N2CC[C@@H]2C2CC2)cn1 853653451 583227291 /nfs/dbraw/zinc/22/72/91/583227291.db2.gz GYBVRJDYBLPAMH-MRVPVSSYSA-N 0 0 193.225 1.604 10 0 ADAERN C[C@@H](CF)Nc1cnc(F)cn1 853645755 583227303 /nfs/dbraw/zinc/22/73/03/583227303.db2.gz KKMOATIVHASVHX-YFKPBYRVSA-N 0 0 173.166 1.386 10 0 ADAERN CC(=O)NOCC1(C)CCC1 853660486 583227320 /nfs/dbraw/zinc/22/73/20/583227320.db2.gz AGCKUUCNQOKELD-UHFFFAOYSA-N 0 0 157.213 1.244 10 0 ADAERN Fc1cc(N2CC[C@H]2C2CC2)ncn1 853654893 583227350 /nfs/dbraw/zinc/22/73/50/583227350.db2.gz YHIIBYYWZKGXPC-QMMMGPOBSA-N 0 0 193.225 1.604 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cnc(F)cn1 853649861 583227359 /nfs/dbraw/zinc/22/73/59/583227359.db2.gz FZQPYJQLQYLFQO-RQJHMYQMSA-N 0 0 181.214 1.460 10 0 ADAERN Cc1ccnc(N2C[C@@H](C)[C@H]2C)n1 853649881 583227416 /nfs/dbraw/zinc/22/74/16/583227416.db2.gz GLALJTVBXFIYSD-VXNVDRBHSA-N 0 0 177.251 1.630 10 0 ADAERN CC[C@@H]1CCN1c1cnc(F)cn1 853645196 583227429 /nfs/dbraw/zinc/22/74/29/583227429.db2.gz RAZWPQUHNMHBJL-SSDOTTSWSA-N 0 0 181.214 1.604 10 0 ADAERN C[C@@H]1CN(c2cnc(F)cn2)[C@@H]1C 853649860 583227444 /nfs/dbraw/zinc/22/74/44/583227444.db2.gz FZQPYJQLQYLFQO-RNFRBKRXSA-N 0 0 181.214 1.460 10 0 ADAERN Fc1cnc(N2CC[C@H]2C2CC2)cn1 853653452 583227466 /nfs/dbraw/zinc/22/74/66/583227466.db2.gz GYBVRJDYBLPAMH-QMMMGPOBSA-N 0 0 193.225 1.604 10 0 ADAERN Cn1ncnc1N1CCC[C@](C)(F)C1 853650879 583227485 /nfs/dbraw/zinc/22/74/85/583227485.db2.gz MRMNBNXCHKTVDS-VIFPVBQESA-N 0 0 198.245 1.144 10 0 ADAERN Cn1ncnc1N1CCC[C@@](C)(F)C1 853650878 583227502 /nfs/dbraw/zinc/22/75/02/583227502.db2.gz MRMNBNXCHKTVDS-SECBINFHSA-N 0 0 198.245 1.144 10 0 ADAERN Cc1ccnc(N2C[C@H](C)[C@H]2C)n1 853649880 583227527 /nfs/dbraw/zinc/22/75/27/583227527.db2.gz GLALJTVBXFIYSD-IONNQARKSA-N 0 0 177.251 1.630 10 0 ADAERN Cc1ccnc(N2CC[C@@H]2C(F)F)n1 853650385 583227550 /nfs/dbraw/zinc/22/75/50/583227550.db2.gz PSKLNFXHXJTCBE-SSDOTTSWSA-N 0 0 199.204 1.629 10 0 ADAERN Cc1ccnc(N2C[C@@H](C)[C@@H]2C)n1 853649878 583227553 /nfs/dbraw/zinc/22/75/53/583227553.db2.gz GLALJTVBXFIYSD-APPZFPTMSA-N 0 0 177.251 1.630 10 0 ADAERN Cc1ccnc(N2C[C@H](C)[C@@H]2C)n1 853649879 583227558 /nfs/dbraw/zinc/22/75/58/583227558.db2.gz GLALJTVBXFIYSD-CBAPKCEASA-N 0 0 177.251 1.630 10 0 ADAERN CC[C@H]1CCN1c1cc(F)ncn1 853644946 583227612 /nfs/dbraw/zinc/22/76/12/583227612.db2.gz GIOWNZIPMIGKHJ-ZETCQYMHSA-N 0 0 181.214 1.604 10 0 ADAERN CC(=O)NOC[C@@H]1CC[C@H]2C[C@H]2C1 853661924 583228025 /nfs/dbraw/zinc/22/80/25/583228025.db2.gz VCTZCPGTASQUFG-KXUCPTDWSA-N 0 0 183.251 1.490 10 0 ADAERN CC(=O)NOCC12CCC(CC1)C2 853662233 583228161 /nfs/dbraw/zinc/22/81/61/583228161.db2.gz ZUHOJEMGQKOFSU-UHFFFAOYSA-N 0 0 183.251 1.634 10 0 ADAERN CC(=O)NOC[C@@H]1CC[C@@H]2C[C@@H]2C1 853661923 583228185 /nfs/dbraw/zinc/22/81/85/583228185.db2.gz VCTZCPGTASQUFG-BBBLOLIVSA-N 0 0 183.251 1.490 10 0 ADAERN CC(=O)NO[C@H](C)C(C)C 853662166 583228256 /nfs/dbraw/zinc/22/82/56/583228256.db2.gz YUSOOLPEYFGCQR-ZCFIWIBFSA-N 0 0 145.202 1.099 10 0 ADAERN CC(C)[C@@H](C)ONC(=O)C1CCC1 853722216 583229415 /nfs/dbraw/zinc/22/94/15/583229415.db2.gz HMGWVJICTMMGNX-MRVPVSSYSA-N 0 0 185.267 1.879 10 0 ADAERN CC(=O)NO[C@@H](C)C(C)C 853662154 583228387 /nfs/dbraw/zinc/22/83/87/583228387.db2.gz YUSOOLPEYFGCQR-LURJTMIESA-N 0 0 145.202 1.099 10 0 ADAERN CO[C@H](C)C(N)=NO[C@H](C)C(C)C 853674137 583228474 /nfs/dbraw/zinc/22/84/74/583228474.db2.gz SIVIJBMOWYTWHN-HTQZYQBOSA-N 0 0 188.271 1.564 10 0 ADAERN CO[C@@H](C)C(N)=NO[C@@H](C)C(C)C 853674140 583228571 /nfs/dbraw/zinc/22/85/71/583228571.db2.gz SIVIJBMOWYTWHN-YUMQZZPRSA-N 0 0 188.271 1.564 10 0 ADAERN CO[C@@H](C)C(N)=NO[C@H](C)C(C)C 853674139 583228610 /nfs/dbraw/zinc/22/86/10/583228610.db2.gz SIVIJBMOWYTWHN-SFYZADRCSA-N 0 0 188.271 1.564 10 0 ADAERN CCC(C)(C)CCONC(C)=O 853661366 583228635 /nfs/dbraw/zinc/22/86/35/583228635.db2.gz MUANQEDUOZQOJU-UHFFFAOYSA-N 0 0 173.256 1.880 10 0 ADAERN CCCC(N)=NOCc1cncs1 853666690 583228716 /nfs/dbraw/zinc/22/87/16/583228716.db2.gz PXZTUHJIRLRNQJ-UHFFFAOYSA-N 0 0 199.279 1.942 10 0 ADAERN CO[C@H](C)C(N)=NO[C@@H](C)C(C)C 853674138 583228781 /nfs/dbraw/zinc/22/87/81/583228781.db2.gz SIVIJBMOWYTWHN-JGVFFNPUSA-N 0 0 188.271 1.564 10 0 ADAERN CC(=O)NOC[C@H]1C[C@@H]2C[C@@H]2C1 853661674 583228810 /nfs/dbraw/zinc/22/88/10/583228810.db2.gz QYWHHUUVAQXOTB-AYMMMOKOSA-N 0 0 169.224 1.100 10 0 ADAERN O=C(NOCc1cncs1)C1CC1 853720559 583229271 /nfs/dbraw/zinc/22/92/71/583229271.db2.gz CFKFVVZQZXERDA-UHFFFAOYSA-N 0 0 198.247 1.101 10 0 ADAERN CCCCCCn1c(=O)ccn1C 853705554 583229320 /nfs/dbraw/zinc/22/93/20/583229320.db2.gz ASEGDVCXBJOAHD-UHFFFAOYSA-N 0 0 182.267 1.767 10 0 ADAERN OCCCCCCOc1ccnnc1 853714350 583229509 /nfs/dbraw/zinc/22/95/09/583229509.db2.gz YQYSLIIGUADGNE-UHFFFAOYSA-N 0 0 196.250 1.408 10 0 ADAERN CC1(C)C[C@H](ONC(=O)C2CC2)CO1 853720693 583229762 /nfs/dbraw/zinc/22/97/62/583229762.db2.gz HSCTURSANPSVAH-QMMMGPOBSA-N 0 0 199.250 1.012 10 0 ADAERN CC(C)[C@H](C)ONC(=O)C1CC1 853720846 583229771 /nfs/dbraw/zinc/22/97/71/583229771.db2.gz NEXLDKMFAIENPX-ZETCQYMHSA-N 0 0 171.240 1.489 10 0 ADAERN O=C(NOC[C@H]1C[C@@H]2C[C@@H]2C1)C1CC1 853720592 583229809 /nfs/dbraw/zinc/22/98/09/583229809.db2.gz DJRNZKQEHUFETF-LETLQTKMSA-N 0 0 195.262 1.490 10 0 ADAERN CC1(C)C[C@@H](ONC(=O)C2CC2)CO1 853720692 583229840 /nfs/dbraw/zinc/22/98/40/583229840.db2.gz HSCTURSANPSVAH-MRVPVSSYSA-N 0 0 199.250 1.012 10 0 ADAERN Fc1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)cn1 853701990 583229904 /nfs/dbraw/zinc/22/99/04/583229904.db2.gz CIWJQOLNBANXIO-RNLVFQAGSA-N 0 0 193.225 1.826 10 0 ADAERN CC(C)[C@H](C)ONC(=O)C1CCC1 853722217 583229924 /nfs/dbraw/zinc/22/99/24/583229924.db2.gz HMGWVJICTMMGNX-QMMMGPOBSA-N 0 0 185.267 1.879 10 0 ADAERN CC(C)[C@@H](C)ONC(=O)C1CC1 853720845 583230008 /nfs/dbraw/zinc/23/00/08/583230008.db2.gz NEXLDKMFAIENPX-SSDOTTSWSA-N 0 0 171.240 1.489 10 0 ADAERN CCOC(=O)NO[C@@H](C)C(C)C 853726824 583230489 /nfs/dbraw/zinc/23/04/89/583230489.db2.gz NHAIJUXKTLDAGZ-ZETCQYMHSA-N 0 0 175.228 1.709 10 0 ADAERN CCOC(=O)NO[C@H](C)C(C)C 853726812 583230615 /nfs/dbraw/zinc/23/06/15/583230615.db2.gz NHAIJUXKTLDAGZ-SSDOTTSWSA-N 0 0 175.228 1.709 10 0 ADAERN CCOC(=O)NOC[C@H]1C[C@@H]2C[C@@H]2C1 853725597 583230635 /nfs/dbraw/zinc/23/06/35/583230635.db2.gz DLFFMAZJZUKWRS-AYMMMOKOSA-N 0 0 199.250 1.710 10 0 ADAERN CCc1cnn(CCOC(F)F)c1 853730080 583230776 /nfs/dbraw/zinc/23/07/76/583230776.db2.gz BTYIYNLWJRHYNU-UHFFFAOYSA-N 0 0 190.193 1.685 10 0 ADAERN CC(C)c1ncn(CCC2(O)CC2)n1 853729947 583230900 /nfs/dbraw/zinc/23/09/00/583230900.db2.gz JXZNTNCTSSILPX-UHFFFAOYSA-N 0 0 195.266 1.317 10 0 ADAERN OC1(CCn2cc(C3CC3)nn2)CC1 853738784 583231371 /nfs/dbraw/zinc/23/13/71/583231371.db2.gz ZCLNNQHPCGVKHM-UHFFFAOYSA-N 0 0 193.250 1.071 10 0 ADAERN C[C@H](O)CCSCCC1(O)CC1 853772417 583232118 /nfs/dbraw/zinc/23/21/18/583232118.db2.gz PFJVZNSDBDKMEI-QMMMGPOBSA-N 0 0 190.308 1.406 10 0 ADAERN C[C@@H](O)CCSCCC1(O)CC1 853772416 583232613 /nfs/dbraw/zinc/23/26/13/583232613.db2.gz PFJVZNSDBDKMEI-MRVPVSSYSA-N 0 0 190.308 1.406 10 0 ADAERN CC12CC(CN1C(=O)N1CCCC1)C2 853878218 583233137 /nfs/dbraw/zinc/23/31/37/583233137.db2.gz CCVWASVYQROWDB-UHFFFAOYSA-N 0 0 194.278 1.687 10 0 ADAERN CC[C@@H](C)OC(=O)c1nccnc1C 853935403 583233153 /nfs/dbraw/zinc/23/31/53/583233153.db2.gz HCGJRUVXVJZTMH-SSDOTTSWSA-N 0 0 194.234 1.740 10 0 ADAERN CC12CC(CN1c1cc(F)ncn1)C2 853997761 583233161 /nfs/dbraw/zinc/23/31/61/583233161.db2.gz PCOVRFAIEVFXBS-UHFFFAOYSA-N 0 0 193.225 1.604 10 0 ADAERN CC1(C)CC(NC(=O)C(C)(F)F)C1 853871173 583233179 /nfs/dbraw/zinc/23/31/79/583233179.db2.gz KCWBOTBUQKORLS-UHFFFAOYSA-N 0 0 191.221 1.946 10 0 ADAERN Cc1ccnc(N2CC3CC2(C)C3)n1 853998303 583233181 /nfs/dbraw/zinc/23/31/81/583233181.db2.gz WLTXNVRBLFPJJW-UHFFFAOYSA-N 0 0 189.262 1.774 10 0 ADAERN Cc1nccnc1C(=O)OCCCF 853935035 583233225 /nfs/dbraw/zinc/23/32/25/583233225.db2.gz DEFGKZHFDREWNI-UHFFFAOYSA-N 0 0 198.197 1.301 10 0 ADAERN CC(C)(O)C(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 853894897 583233265 /nfs/dbraw/zinc/23/32/65/583233265.db2.gz DGLRYZQPTDJRNC-AYMMMOKOSA-N 0 0 198.262 1.347 10 0 ADAERN CC(F)(F)C(=O)N1CC2CC1(C)C2 853878842 583233298 /nfs/dbraw/zinc/23/32/98/583233298.db2.gz OYSRBQPBFJXARI-UHFFFAOYSA-N 0 0 189.205 1.653 10 0 ADAERN CC[C@H](C)OC(=O)c1nccnc1C 853935404 583233339 /nfs/dbraw/zinc/23/33/39/583233339.db2.gz HCGJRUVXVJZTMH-ZETCQYMHSA-N 0 0 194.234 1.740 10 0 ADAERN CCONC(=O)N1CC2CC1(C)C2 854001045 583233533 /nfs/dbraw/zinc/23/35/33/583233533.db2.gz DIAADFLJLYKPOZ-UHFFFAOYSA-N 0 0 184.239 1.132 10 0 ADAERN CCCOC(=O)c1nccnc1C 853937742 583233536 /nfs/dbraw/zinc/23/35/36/583233536.db2.gz HUDPWLXPESYKPX-UHFFFAOYSA-N 0 0 180.207 1.352 10 0 ADAERN C/C=C\COC(=O)c1nccnc1C 853935672 583233578 /nfs/dbraw/zinc/23/35/78/583233578.db2.gz HKCYIBVHLXOXAF-ARJAWSKDSA-N 0 0 192.218 1.518 10 0 ADAERN CC12CC(CN1c1cnc(F)cn1)C2 853997786 583233630 /nfs/dbraw/zinc/23/36/30/583233630.db2.gz PODXDIHGOKNQHK-UHFFFAOYSA-N 0 0 193.225 1.604 10 0 ADAERN COCCC(=O)OC[C@H]1C[C@@H]2C[C@@H]2C1 853895964 583233648 /nfs/dbraw/zinc/23/36/48/583233648.db2.gz VGKOJHSFDWAMCG-ILWJIGKKSA-N 0 0 198.262 1.612 10 0 ADAERN C/C=C/COC(=O)c1nccnc1C 853935674 583233677 /nfs/dbraw/zinc/23/36/77/583233677.db2.gz HKCYIBVHLXOXAF-ONEGZZNKSA-N 0 0 192.218 1.518 10 0 ADAERN NC(=O)CC[C@@H]1CC1(Cl)Cl 854202179 583234273 /nfs/dbraw/zinc/23/42/73/583234273.db2.gz BFCNVRMTOHWODQ-SCSAIBSYSA-N 0 0 182.050 1.446 10 0 ADAERN CCn1nc(C)cc1-c1cnn(C)n1 854204925 583234316 /nfs/dbraw/zinc/23/43/16/583234316.db2.gz FUXAMCBQOOTXOC-UHFFFAOYSA-N 0 0 191.238 1.007 10 0 ADAERN Cc1cc(-c2cn(C)nn2)co1 854200730 583234397 /nfs/dbraw/zinc/23/43/97/583234397.db2.gz VEYVXRBCUPRKNK-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN Cc1cc(-c2ncnn2C)co1 854200005 583234401 /nfs/dbraw/zinc/23/44/01/583234401.db2.gz LFAYHYIMIHQVGK-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN CCn1nc(C)cc1-c1ncco1 854205631 583234555 /nfs/dbraw/zinc/23/45/55/583234555.db2.gz QDSMOMVTQFWPGA-UHFFFAOYSA-N 0 0 177.207 1.866 10 0 ADAERN Cc1cc(-c2cnn(C)n2)co1 854199935 583234611 /nfs/dbraw/zinc/23/46/11/583234611.db2.gz JGFDFWFKPMRVFQ-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN Cc1cc(-c2cnnn2C)co1 854200483 583234676 /nfs/dbraw/zinc/23/46/76/583234676.db2.gz PWVRZPFOWSXANJ-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN CCn1nc(C)cc1-c1cc[nH]n1 854205829 583234683 /nfs/dbraw/zinc/23/46/83/583234683.db2.gz UZRKFTFOXLOMHT-UHFFFAOYSA-N 0 0 176.223 1.602 10 0 ADAERN Cc1cc(-c2ncn(C)n2)co1 854199453 583234697 /nfs/dbraw/zinc/23/46/97/583234697.db2.gz BPFBNVFQYYDNEO-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN Cc1coc(-c2cnn(C)n2)c1 854194599 583234746 /nfs/dbraw/zinc/23/47/46/583234746.db2.gz IEKTUVUKHSGMEX-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN Cc1cc(-c2nnc(C)n2C)co1 854200859 583234815 /nfs/dbraw/zinc/23/48/15/583234815.db2.gz YVFXGWQHRUKASI-UHFFFAOYSA-N 0 0 177.207 1.692 10 0 ADAERN NC(=O)CC[C@H]1CC1(Cl)Cl 854202175 583234989 /nfs/dbraw/zinc/23/49/89/583234989.db2.gz BFCNVRMTOHWODQ-BYPYZUCNSA-N 0 0 182.050 1.446 10 0 ADAERN CCNC(=O)C1CC2(C1)CC2(F)F 854144169 583235105 /nfs/dbraw/zinc/23/51/05/583235105.db2.gz WZXUXZVTTFTWKG-UHFFFAOYSA-N 0 0 189.205 1.558 10 0 ADAERN Cc1cocc1-c1cnn(C)n1 854197181 583235186 /nfs/dbraw/zinc/23/51/86/583235186.db2.gz AUZVJLZWEULGPT-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN CC1(C)COCN1C(=O)C1(F)CC1 854326007 583235545 /nfs/dbraw/zinc/23/55/45/583235545.db2.gz OCCWFMLLMDSORG-UHFFFAOYSA-N 0 0 187.214 1.083 10 0 ADAERN CC(C)=C(C)C(=O)N1COCC1(C)C 854327025 583235549 /nfs/dbraw/zinc/23/55/49/583235549.db2.gz IDASLXDDIUFSID-UHFFFAOYSA-N 0 0 197.278 1.938 10 0 ADAERN CC/C(C)=C/C(=O)NN1CCCC1 854325849 583235573 /nfs/dbraw/zinc/23/55/73/583235573.db2.gz PHUGKKZMYNRKMD-CMDGGOBGSA-N 0 0 182.267 1.470 10 0 ADAERN CCC/C=C\C(=O)NN1CCCC1 854326082 583235706 /nfs/dbraw/zinc/23/57/06/583235706.db2.gz RPSXGCMXAFHEIZ-DAXSKMNVSA-N 0 0 182.267 1.470 10 0 ADAERN CC1(C)CC[C@H]1C(=O)NN1CCCC1 854330637 583235749 /nfs/dbraw/zinc/23/57/49/583235749.db2.gz KFVWWKRMYSPGKJ-VIFPVBQESA-N 0 0 196.294 1.550 10 0 ADAERN CCC/C=C/C(=O)NN1CCCC1 854326083 583235789 /nfs/dbraw/zinc/23/57/89/583235789.db2.gz RPSXGCMXAFHEIZ-QPJJXVBHSA-N 0 0 182.267 1.470 10 0 ADAERN CC(F)(F)C(=O)N1COCC1(C)C 854327322 583235799 /nfs/dbraw/zinc/23/57/99/583235799.db2.gz KXMITYKJXWFUSY-UHFFFAOYSA-N 0 0 193.193 1.237 10 0 ADAERN C/C=C/C=C/C(=O)NN1CCCC1 854326503 583235806 /nfs/dbraw/zinc/23/58/06/583235806.db2.gz WUNYTAFTUPKJLA-AOGGBPEJSA-N 0 0 180.251 1.246 10 0 ADAERN C/C=C(/C)C(=O)NN1CCCC1 854327909 583235818 /nfs/dbraw/zinc/23/58/18/583235818.db2.gz FGUNYLITBCEISS-BAQGIRSFSA-N 0 0 168.240 1.080 10 0 ADAERN CC1(C)CC[C@@H]1C(=O)NN1CCCC1 854330636 583235849 /nfs/dbraw/zinc/23/58/49/583235849.db2.gz KFVWWKRMYSPGKJ-SECBINFHSA-N 0 0 196.294 1.550 10 0 ADAERN CC/C(C)=C(/C)C(=O)NN1CCCC1 854325801 583235860 /nfs/dbraw/zinc/23/58/60/583235860.db2.gz CABFRBGTSXSQDT-KTKRTIGZSA-N 0 0 196.294 1.860 10 0 ADAERN CCC(F)(F)C(=O)NN1CCCC1 854326168 583235896 /nfs/dbraw/zinc/23/58/96/583235896.db2.gz UDJGLIQBZYXOEM-UHFFFAOYSA-N 0 0 192.209 1.159 10 0 ADAERN C=C/C(C)=C/CC(=O)NN1CCCC1 854327309 583235909 /nfs/dbraw/zinc/23/59/09/583235909.db2.gz WGHNDSUCICDBKX-UXBLZVDNSA-N 0 0 194.278 1.636 10 0 ADAERN O=C(NN1CCCC1)C1=CCCC1 854327817 583235912 /nfs/dbraw/zinc/23/59/12/583235912.db2.gz ABUQHPOGKGMTFW-UHFFFAOYSA-N 0 0 180.251 1.224 10 0 ADAERN CC1=C(C(=O)NN2CCCC2)CCC1 854327870 583235914 /nfs/dbraw/zinc/23/59/14/583235914.db2.gz CWOAQWPTKNISRG-UHFFFAOYSA-N 0 0 194.278 1.614 10 0 ADAERN CCC/C=C\C(=O)N1COCC1(C)C 854325471 583235937 /nfs/dbraw/zinc/23/59/37/583235937.db2.gz FSRRXKXNBDSEKP-SREVYHEPSA-N 0 0 197.278 1.938 10 0 ADAERN C/C=C/C=C\C(=O)NN1CCCC1 854326504 583235950 /nfs/dbraw/zinc/23/59/50/583235950.db2.gz WUNYTAFTUPKJLA-SWBALALESA-N 0 0 180.251 1.246 10 0 ADAERN C=C/C(C)=C\CC(=O)NN1CCCC1 854327308 583235956 /nfs/dbraw/zinc/23/59/56/583235956.db2.gz WGHNDSUCICDBKX-POHAHGRESA-N 0 0 194.278 1.636 10 0 ADAERN CC(C(=O)NN1CCCC1)=C1CCC1 854325584 583236047 /nfs/dbraw/zinc/23/60/47/583236047.db2.gz KMMCAEXHCJKTKM-UHFFFAOYSA-N 0 0 194.278 1.614 10 0 ADAERN CC(F)(F)CC(=O)NN1CCCC1 854327249 583236089 /nfs/dbraw/zinc/23/60/89/583236089.db2.gz UXTDAZYQOSCCIQ-UHFFFAOYSA-N 0 0 192.209 1.159 10 0 ADAERN O=C(CCC(F)F)NN1CCCC1 854327313 583236130 /nfs/dbraw/zinc/23/61/30/583236130.db2.gz WMBHIJWBTIOGQT-UHFFFAOYSA-N 0 0 192.209 1.159 10 0 ADAERN O=C(C=C1CCC1)NN1CCCC1 854328248 583236132 /nfs/dbraw/zinc/23/61/32/583236132.db2.gz RUSBBTINNXOAND-UHFFFAOYSA-N 0 0 180.251 1.224 10 0 ADAERN CC/C(C)=C\C(=O)NN1CCCC1 854325850 583236136 /nfs/dbraw/zinc/23/61/36/583236136.db2.gz PHUGKKZMYNRKMD-HJWRWDBZSA-N 0 0 182.267 1.470 10 0 ADAERN CCC/C=C/C(=O)N1COCC1(C)C 854325472 583236180 /nfs/dbraw/zinc/23/61/80/583236180.db2.gz FSRRXKXNBDSEKP-VOTSOKGWSA-N 0 0 197.278 1.938 10 0 ADAERN O=C(NN1CCCC1)C1CC2(CC2)C1 854325591 583236223 /nfs/dbraw/zinc/23/62/23/583236223.db2.gz LDCLUOAODWHGHU-UHFFFAOYSA-N 0 0 194.278 1.304 10 0 ADAERN C/C=C(\C)C(=O)NN1CCCC1 854327910 583236289 /nfs/dbraw/zinc/23/62/89/583236289.db2.gz FGUNYLITBCEISS-FPYGCLRLSA-N 0 0 168.240 1.080 10 0 ADAERN CCC(F)(F)C(=O)N[C@H]1CC[C@@H]1C 854444080 583236807 /nfs/dbraw/zinc/23/68/07/583236807.db2.gz CCYQFMDRNBVUMA-BQBZGAKWSA-N 0 0 191.221 1.946 10 0 ADAERN CC1=NO[C@H](C(=O)N[C@H]2CC[C@H]2C)C1 854446497 583236922 /nfs/dbraw/zinc/23/69/22/583236922.db2.gz UXINZTAXCWIQCH-YEPSODPASA-N 0 0 196.250 1.066 10 0 ADAERN O=C(C(F)=C1CCC1)N1CCCCN1 854429740 583236931 /nfs/dbraw/zinc/23/69/31/583236931.db2.gz JYXWVLDCVWRRHC-UHFFFAOYSA-N 0 0 198.241 1.521 10 0 ADAERN CC1=NO[C@H](C(=O)N[C@@H]2CC[C@H]2C)C1 854446495 583237008 /nfs/dbraw/zinc/23/70/08/583237008.db2.gz UXINZTAXCWIQCH-VDAHYXPESA-N 0 0 196.250 1.066 10 0 ADAERN CCC(F)(F)C(=O)N[C@@H]1CC[C@H]1C 854444082 583237025 /nfs/dbraw/zinc/23/70/25/583237025.db2.gz CCYQFMDRNBVUMA-RNFRBKRXSA-N 0 0 191.221 1.946 10 0 ADAERN CCC(F)(F)C(=O)N[C@@H]1CC[C@@H]1C 854444081 583237176 /nfs/dbraw/zinc/23/71/76/583237176.db2.gz CCYQFMDRNBVUMA-NKWVEPMBSA-N 0 0 191.221 1.946 10 0 ADAERN CC1=NO[C@H](C(=O)N[C@@H]2CC[C@@H]2C)C1 854446498 583237195 /nfs/dbraw/zinc/23/71/95/583237195.db2.gz UXINZTAXCWIQCH-ZQARSLAVSA-N 0 0 196.250 1.066 10 0 ADAERN CC1=NO[C@H](C(=O)N[C@H]2CC[C@@H]2C)C1 854446496 583237233 /nfs/dbraw/zinc/23/72/33/583237233.db2.gz UXINZTAXCWIQCH-XVYDVKMFSA-N 0 0 196.250 1.066 10 0 ADAERN CCC(F)(F)C(=O)N[C@H]1CC[C@H]1C 854444083 583237328 /nfs/dbraw/zinc/23/73/28/583237328.db2.gz CCYQFMDRNBVUMA-RQJHMYQMSA-N 0 0 191.221 1.946 10 0 ADAERN COC(=O)N1CC[C@H]1C(F)(F)F 854520648 583237668 /nfs/dbraw/zinc/23/76/68/583237668.db2.gz QQTFECFGCUTZPX-BYPYZUCNSA-N 0 0 183.129 1.389 10 0 ADAERN COC(=O)N1CC[C@@H]1C(F)(F)F 854520654 583238394 /nfs/dbraw/zinc/23/83/94/583238394.db2.gz QQTFECFGCUTZPX-SCSAIBSYSA-N 0 0 183.129 1.389 10 0 ADAERN CN(CCF)C(=O)[C@@H]1CCC1(C)C 854658202 583238679 /nfs/dbraw/zinc/23/86/79/583238679.db2.gz UEMNLZPEKDLZRT-QMMMGPOBSA-N 0 0 187.258 1.851 10 0 ADAERN CC1=NO[C@H](C(=O)N2C[C@H](C)[C@@H]2C)C1 854661371 583238699 /nfs/dbraw/zinc/23/86/99/583238699.db2.gz ULMSJVIYYIMACO-XVYDVKMFSA-N 0 0 196.250 1.018 10 0 ADAERN CCC(F)(F)C(=O)N1C[C@H](C)[C@H]1C 854662086 583238759 /nfs/dbraw/zinc/23/87/59/583238759.db2.gz ZXNFBWDHXJAXSI-NKWVEPMBSA-N 0 0 191.221 1.899 10 0 ADAERN CCC(F)(F)C(=O)NCC[C@@H](C)F 854660862 583238763 /nfs/dbraw/zinc/23/87/63/583238763.db2.gz GEBSJHFKHAUWFD-ZCFIWIBFSA-N 0 0 197.200 1.896 10 0 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RCYOPRYGMNNORX-UHFFFAOYSA-N 0 0 196.275 1.006 10 0 ADAERN Fc1cc(CNCC(F)F)ccn1 858163848 583268199 /nfs/dbraw/zinc/26/81/99/583268199.db2.gz LNLMGOPTGPVEMV-UHFFFAOYSA-N 0 0 190.168 1.575 10 0 ADAERN CCNC(=O)c1[nH]c(C)c(C=O)c1C 858104188 583268362 /nfs/dbraw/zinc/26/83/62/583268362.db2.gz BEROJIMOUXVDRH-UHFFFAOYSA-N 0 0 194.234 1.194 10 0 ADAERN CSCCCCCCC(N)=O 858138282 583268534 /nfs/dbraw/zinc/26/85/34/583268534.db2.gz VFXBDWLULWWOCB-UHFFFAOYSA-N 0 0 175.297 1.785 10 0 ADAERN CCO[C@H](C(=O)N(C)OC)C(C)C 858262473 583268612 /nfs/dbraw/zinc/26/86/12/583268612.db2.gz NZIQAEYXORVULJ-QMMMGPOBSA-N 0 0 189.255 1.067 10 0 ADAERN CC(C)n1ncc(C(N)=O)c1Cl 858137630 583268703 /nfs/dbraw/zinc/26/87/03/583268703.db2.gz BYRSMZFZRRBAII-UHFFFAOYSA-N 0 0 187.630 1.216 10 0 ADAERN C/C=C\CNC(=O)NCc1ccon1 858266864 583268757 /nfs/dbraw/zinc/26/87/57/583268757.db2.gz PUKNHYPLOJYDDO-IHWYPQMZSA-N 0 0 195.222 1.050 10 0 ADAERN C/C=C/CNC(=O)NCc1ccon1 858266865 583268775 /nfs/dbraw/zinc/26/87/75/583268775.db2.gz 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/nfs/dbraw/zinc/26/96/97/583269697.db2.gz IGSVSSLDFZTBNF-NKWVEPMBSA-N 0 0 192.280 1.316 10 0 ADAERN C/C=C\CNC(=O)NOC1CCCC1 858346805 583269814 /nfs/dbraw/zinc/26/98/14/583269814.db2.gz MZLWGYJEQBXBRG-IHWYPQMZSA-N 0 0 198.266 1.736 10 0 ADAERN C[C@H]1CCN1c1cc(Cl)[nH]c(=O)n1 858362447 583269933 /nfs/dbraw/zinc/26/99/33/583269933.db2.gz FLRZBGKTAJZEID-YFKPBYRVSA-N 0 0 199.641 1.434 10 0 ADAERN C/C=C\CNC(=O)NOCC(C)C 858311597 583270102 /nfs/dbraw/zinc/27/01/02/583270102.db2.gz JNVIUFLVXSBBBY-PLNGDYQASA-N 0 0 186.255 1.449 10 0 ADAERN CONC(=O)c1coc(C(F)F)c1 858299636 583270164 /nfs/dbraw/zinc/27/01/64/583270164.db2.gz AJQLWJYFTZDZRM-UHFFFAOYSA-N 0 0 191.133 1.508 10 0 ADAERN CONC(=O)c1ccc(C(F)F)o1 858299878 583270218 /nfs/dbraw/zinc/27/02/18/583270218.db2.gz FXRGGXMWVCNACU-UHFFFAOYSA-N 0 0 191.133 1.508 10 0 ADAERN COC[C@@H](C)OC(=O)[C@@H](C)SC 200174767 583270233 /nfs/dbraw/zinc/27/02/33/583270233.db2.gz IGSVSSLDFZTBNF-RNFRBKRXSA-N 0 0 192.280 1.316 10 0 ADAERN COC[C@H](C)OC(=O)[C@H](C)SC 200174799 583270243 /nfs/dbraw/zinc/27/02/43/583270243.db2.gz IGSVSSLDFZTBNF-BQBZGAKWSA-N 0 0 192.280 1.316 10 0 ADAERN C/C=C/CNC(=O)NOCC(C)C 858311598 583270347 /nfs/dbraw/zinc/27/03/47/583270347.db2.gz JNVIUFLVXSBBBY-SNAWJCMRSA-N 0 0 186.255 1.449 10 0 ADAERN C/C=C/CNC(=O)NOC1CCCC1 858346806 583270370 /nfs/dbraw/zinc/27/03/70/583270370.db2.gz MZLWGYJEQBXBRG-NSCUHMNNSA-N 0 0 198.266 1.736 10 0 ADAERN C[C@H]1CC[C@H](C)N1c1nccnc1F 858443101 583270656 /nfs/dbraw/zinc/27/06/56/583270656.db2.gz GAXORPWQURWJRL-YUMQZZPRSA-N 0 0 195.241 1.993 10 0 ADAERN CC(C)C1CN(c2nccnc2F)C1 858457022 583270724 /nfs/dbraw/zinc/27/07/24/583270724.db2.gz LMXTZQJVOYXBTE-UHFFFAOYSA-N 0 0 195.241 1.708 10 0 ADAERN C/C=C/CNC(=O)NOCC(F)F 858411121 583270785 /nfs/dbraw/zinc/27/07/85/583270785.db2.gz JVFMTMKFUSQJJV-NSCUHMNNSA-N 0 0 194.181 1.058 10 0 ADAERN Fc1nccnc1N[C@@H]1[C@H]2CCC[C@H]21 858518012 583270793 /nfs/dbraw/zinc/27/07/93/583270793.db2.gz LKCQXEQDUAOZSE-JIGDXULJSA-N 0 0 193.225 1.826 10 0 ADAERN C[C@@H]1CC[C@@H](C)N1c1nccnc1F 858443096 583270847 /nfs/dbraw/zinc/27/08/47/583270847.db2.gz GAXORPWQURWJRL-HTQZYQBOSA-N 0 0 195.241 1.993 10 0 ADAERN C/C=C/CNC(=O)NC(CF)CF 858501066 583270850 /nfs/dbraw/zinc/27/08/50/583270850.db2.gz DPJNHYYDLMWEET-NSCUHMNNSA-N 0 0 192.209 1.169 10 0 ADAERN C[C@H]1C[C@@H](C)N1c1nccnc1F 858519948 583270864 /nfs/dbraw/zinc/27/08/64/583270864.db2.gz BWZIAKSRTYBXJD-KNVOCYPGSA-N 0 0 181.214 1.603 10 0 ADAERN C/C=C\CNC(=O)NOCC(F)F 858411120 583270878 /nfs/dbraw/zinc/27/08/78/583270878.db2.gz JVFMTMKFUSQJJV-IHWYPQMZSA-N 0 0 194.181 1.058 10 0 ADAERN C[C@@H]1C[C@@H](C)N1c1nccnc1F 858519949 583270885 /nfs/dbraw/zinc/27/08/85/583270885.db2.gz BWZIAKSRTYBXJD-RNFRBKRXSA-N 0 0 181.214 1.603 10 0 ADAERN FC1=CCCN(c2nccnc2F)C1 858470905 583270888 /nfs/dbraw/zinc/27/08/88/583270888.db2.gz PEWSEFBERBZXHX-UHFFFAOYSA-N 0 0 197.188 1.679 10 0 ADAERN CO[C@H](C)[C@H](C)Nc1nccnc1F 858508325 583271086 /nfs/dbraw/zinc/27/10/86/583271086.db2.gz VSTIDGBIGMHGHR-NKWVEPMBSA-N 0 0 199.229 1.451 10 0 ADAERN Fc1nccnc1N1CCCCCO1 858511262 583271123 /nfs/dbraw/zinc/27/11/23/583271123.db2.gz WYMGMAJSFKSJRL-UHFFFAOYSA-N 0 0 197.213 1.538 10 0 ADAERN C/C=C\CNC(=O)NC(CF)CF 858501062 583271149 /nfs/dbraw/zinc/27/11/49/583271149.db2.gz DPJNHYYDLMWEET-IHWYPQMZSA-N 0 0 192.209 1.169 10 0 ADAERN Fc1nccnc1N1CCCCO1 858509820 583271157 /nfs/dbraw/zinc/27/11/57/583271157.db2.gz ZNUCLBROKVJRDX-UHFFFAOYSA-N 0 0 183.186 1.148 10 0 ADAERN C/C=C/CNC(=O)NOC1CCC1 858509420 583271210 /nfs/dbraw/zinc/27/12/10/583271210.db2.gz OFFKSZLVEXXRMW-NSCUHMNNSA-N 0 0 184.239 1.346 10 0 ADAERN CO[C@@H](C)[C@H](C)Nc1nccnc1F 858508324 583271282 /nfs/dbraw/zinc/27/12/82/583271282.db2.gz VSTIDGBIGMHGHR-BQBZGAKWSA-N 0 0 199.229 1.451 10 0 ADAERN Fc1nccnc1N[C@H]1[C@H]2CCC[C@H]21 858518014 583271358 /nfs/dbraw/zinc/27/13/58/583271358.db2.gz LKCQXEQDUAOZSE-RNLVFQAGSA-N 0 0 193.225 1.826 10 0 ADAERN CC(=O)O[C@@H](C)Cn1ccnc1C 200190518 583271390 /nfs/dbraw/zinc/27/13/90/583271390.db2.gz IRLDHIQLUDFMFY-ZETCQYMHSA-N 0 0 182.223 1.143 10 0 ADAERN CC1CN(c2cc(Cl)[nH]c(=O)n2)C1 858485812 583271401 /nfs/dbraw/zinc/27/14/01/583271401.db2.gz JWVCGBRIIRIPTD-UHFFFAOYSA-N 0 0 199.641 1.292 10 0 ADAERN C[C@H]1CC[C@@H](C)N1c1nccnc1F 858443098 583271415 /nfs/dbraw/zinc/27/14/15/583271415.db2.gz GAXORPWQURWJRL-OCAPTIKFSA-N 0 0 195.241 1.993 10 0 ADAERN CC1(F)CN(c2nccnc2F)C1 858520271 583271417 /nfs/dbraw/zinc/27/14/17/583271417.db2.gz FOXRJTUBWYQGBW-UHFFFAOYSA-N 0 0 185.177 1.164 10 0 ADAERN C/C=C\CNC(=O)NOC1CCC1 858509417 583271422 /nfs/dbraw/zinc/27/14/22/583271422.db2.gz OFFKSZLVEXXRMW-IHWYPQMZSA-N 0 0 184.239 1.346 10 0 ADAERN C[C@H]1C[C@H](C)N1c1nccnc1F 858519947 583271498 /nfs/dbraw/zinc/27/14/98/583271498.db2.gz BWZIAKSRTYBXJD-BQBZGAKWSA-N 0 0 181.214 1.603 10 0 ADAERN CCON(C)c1nccnc1F 858504293 583271515 /nfs/dbraw/zinc/27/15/15/583271515.db2.gz OZMFGMXQPJUANQ-UHFFFAOYSA-N 0 0 171.175 1.003 10 0 ADAERN O=c1nc(NCCF)cc(Cl)[nH]1 858525241 583271549 /nfs/dbraw/zinc/27/15/49/583271549.db2.gz BFAKNSMKVUUTAC-UHFFFAOYSA-N 0 0 191.593 1.217 10 0 ADAERN CC1=CCCN(c2nccnc2F)C1 858526505 583271571 /nfs/dbraw/zinc/27/15/71/583271571.db2.gz CVCDQFVNYCETDL-UHFFFAOYSA-N 0 0 193.225 1.772 10 0 ADAERN CC(=O)O[C@H](C)Cn1ccnc1C 200190486 583271590 /nfs/dbraw/zinc/27/15/90/583271590.db2.gz IRLDHIQLUDFMFY-SSDOTTSWSA-N 0 0 182.223 1.143 10 0 ADAERN CC[C@H]1CCN1c1nccnc1F 858552161 583271769 /nfs/dbraw/zinc/27/17/69/583271769.db2.gz IPPHTQVXJCUEHF-ZETCQYMHSA-N 0 0 181.214 1.604 10 0 ADAERN FCC(CF)Nc1nccnc1F 858556790 583271886 /nfs/dbraw/zinc/27/18/86/583271886.db2.gz CICINPCRPIAKDC-UHFFFAOYSA-N 0 0 191.156 1.335 10 0 ADAERN C/C=C\CNC(=O)N[C@@H]1C=CCC1 858609014 583271998 /nfs/dbraw/zinc/27/19/98/583271998.db2.gz QWJSPYOVJOIVFR-PKRMOACSSA-N 0 0 180.251 1.580 10 0 ADAERN Fc1nccnc1N1CCC[C@@H]2C[C@@H]21 858543438 583272006 /nfs/dbraw/zinc/27/20/06/583272006.db2.gz SLXJBJTUBGEEOM-SFYZADRCSA-N 0 0 193.225 1.604 10 0 ADAERN Fc1nccnc1N1CC[C@@H]1C1CC1 858557803 583272026 /nfs/dbraw/zinc/27/20/26/583272026.db2.gz ACMDHPBSJYWYSG-MRVPVSSYSA-N 0 0 193.225 1.604 10 0 ADAERN CC(C)[C@H]1CCN1c1nccnc1F 858561866 583272036 /nfs/dbraw/zinc/27/20/36/583272036.db2.gz BPRCWYUADDPXQL-MRVPVSSYSA-N 0 0 195.241 1.850 10 0 ADAERN CCc1noc(-c2cccnn2)n1 858651387 583272080 /nfs/dbraw/zinc/27/20/80/583272080.db2.gz KRYJDLQDGHMLGD-UHFFFAOYSA-N 0 0 176.179 1.089 10 0 ADAERN CO[C@@H](C)[C@@H](C)Nc1nccnc1F 858550816 583272122 /nfs/dbraw/zinc/27/21/22/583272122.db2.gz VSTIDGBIGMHGHR-RQJHMYQMSA-N 0 0 199.229 1.451 10 0 ADAERN CCc1noc(Cn2cncc2C)n1 858651637 583272239 /nfs/dbraw/zinc/27/22/39/583272239.db2.gz OPJMFPHWMUAWID-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN C/C=C\CNC(=O)N[C@H]1C=CCC1 858609015 583272324 /nfs/dbraw/zinc/27/23/24/583272324.db2.gz QWJSPYOVJOIVFR-XADBCAIWSA-N 0 0 180.251 1.580 10 0 ADAERN CCc1noc(C23CC(C2)C3)n1 858652094 583272404 /nfs/dbraw/zinc/27/24/04/583272404.db2.gz WYYJYTUKANHTBI-UHFFFAOYSA-N 0 0 164.208 1.684 10 0 ADAERN CCc1noc(COCC(F)F)n1 858651603 583272460 /nfs/dbraw/zinc/27/24/60/583272460.db2.gz OBMSCQPDVVKGTN-UHFFFAOYSA-N 0 0 192.165 1.414 10 0 ADAERN CC12CC(CN1c1nccnc1F)C2 858635863 583272520 /nfs/dbraw/zinc/27/25/20/583272520.db2.gz UHODOLJDYKGUQI-UHFFFAOYSA-N 0 0 193.225 1.604 10 0 ADAERN Fc1nccnc1N1CCC[C@H]2C[C@H]21 858543436 583272523 /nfs/dbraw/zinc/27/25/23/583272523.db2.gz SLXJBJTUBGEEOM-JGVFFNPUSA-N 0 0 193.225 1.604 10 0 ADAERN CO[C@H](C)[C@@H](C)Nc1nccnc1F 858550815 583272546 /nfs/dbraw/zinc/27/25/46/583272546.db2.gz VSTIDGBIGMHGHR-RNFRBKRXSA-N 0 0 199.229 1.451 10 0 ADAERN CC[C@@H]1CCN1c1nccnc1F 858552160 583272573 /nfs/dbraw/zinc/27/25/73/583272573.db2.gz IPPHTQVXJCUEHF-SSDOTTSWSA-N 0 0 181.214 1.604 10 0 ADAERN CCC(=O)OC[C@H]1C[C@@H]1C 200330952 583272638 /nfs/dbraw/zinc/27/26/38/583272638.db2.gz IVLOOYGMFIKBDT-NKWVEPMBSA-N 0 0 142.198 1.596 10 0 ADAERN C/C=C/CNC(=O)N[C@H]1C=CCC1 858609013 583272655 /nfs/dbraw/zinc/27/26/55/583272655.db2.gz QWJSPYOVJOIVFR-HPOULIHZSA-N 0 0 180.251 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583303132 /nfs/dbraw/zinc/30/31/32/583303132.db2.gz FNIQNOHGDOUGAL-VVEUZMEOSA-N 0 0 197.278 1.636 10 0 ADAERN CC[C@H](C)c1noc(C2(N)CC2)n1 203518758 583303163 /nfs/dbraw/zinc/30/31/63/583303163.db2.gz YZEJIXZPPUKYLM-LURJTMIESA-N 0 0 181.239 1.531 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@]1(C)OCC 862862448 583303191 /nfs/dbraw/zinc/30/31/91/583303191.db2.gz QEFNSVWNYRBRDD-GRGONOBASA-N 0 0 183.251 1.246 10 0 ADAERN CC[C@@H](C)c1noc(C2(N)CC2)n1 203518755 583303199 /nfs/dbraw/zinc/30/31/99/583303199.db2.gz YZEJIXZPPUKYLM-ZCFIWIBFSA-N 0 0 181.239 1.531 10 0 ADAERN C/C=C/CNC(=O)[C@H](F)C(C)C 863115179 583303509 /nfs/dbraw/zinc/30/35/09/583303509.db2.gz FUTYUSKMDJVBLG-WTSVBCDHSA-N 0 0 173.231 1.673 10 0 ADAERN C/C=C/CNC(=O)CCOC(C)C 863120573 583303548 /nfs/dbraw/zinc/30/35/48/583303548.db2.gz RJCYJKWERZXUAI-SNAWJCMRSA-N 0 0 185.267 1.494 10 0 ADAERN C/C=C/CNC(=O)[C@@H](F)C(C)C 863115180 583303573 /nfs/dbraw/zinc/30/35/73/583303573.db2.gz FUTYUSKMDJVBLG-ZJELKQJVSA-N 0 0 173.231 1.673 10 0 ADAERN C/C=C/CNC(=O)/C=C/SC 863116558 583303898 /nfs/dbraw/zinc/30/38/98/583303898.db2.gz SOGSCGWDEIEORH-BDWKERMESA-N 0 0 171.265 1.555 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1CC1(C)C 863116900 583303904 /nfs/dbraw/zinc/30/39/04/583303904.db2.gz BZWZALDOFLUFOJ-ZJELKQJVSA-N 0 0 167.252 1.725 10 0 ADAERN C/C=C\CNC(=O)/C=C/SC 863116561 583303928 /nfs/dbraw/zinc/30/39/28/583303928.db2.gz SOGSCGWDEIEORH-QVXLNCAUSA-N 0 0 171.265 1.555 10 0 ADAERN C/C=C\CNC(=O)/C(C)=C/C 863116294 583303931 /nfs/dbraw/zinc/30/39/31/583303931.db2.gz LPDZQQYFEAUMDK-QXMOYCCXSA-N 0 0 153.225 1.645 10 0 ADAERN C/C=C\CNC(=O)/C(C)=C\C 863116295 583303945 /nfs/dbraw/zinc/30/39/45/583303945.db2.gz LPDZQQYFEAUMDK-VXWIUBPCSA-N 0 0 153.225 1.645 10 0 ADAERN C/C=C\CNC(=O)CC1(O)CCCC1 863115854 583303955 /nfs/dbraw/zinc/30/39/55/583303955.db2.gz AUJNGZURJXWEKB-IHWYPQMZSA-N 0 0 197.278 1.374 10 0 ADAERN C/C=C/CNC(=O)C1=CCCCO1 863115967 583303957 /nfs/dbraw/zinc/30/39/57/583303957.db2.gz FHPPZUNQSXFYBO-NSCUHMNNSA-N 0 0 181.235 1.373 10 0 ADAERN C/C=C\CNC(=O)C[C@@H](C)OC 863118107 583303963 /nfs/dbraw/zinc/30/39/63/583303963.db2.gz NKDUVVOCBOCREM-PULIVWKDSA-N 0 0 171.240 1.104 10 0 ADAERN C/C=C/CNC(=O)C[C@@H](C)OC 863118108 583303965 /nfs/dbraw/zinc/30/39/65/583303965.db2.gz NKDUVVOCBOCREM-WTSVBCDHSA-N 0 0 171.240 1.104 10 0 ADAERN C/C=C/CNC(=O)C=C1CCC1 863117515 583303975 /nfs/dbraw/zinc/30/39/75/583303975.db2.gz VHRBQZRUQBVUQC-NSCUHMNNSA-N 0 0 165.236 1.789 10 0 ADAERN C/C=C\CNC(=O)C1(F)CCCC1 863115671 583303982 /nfs/dbraw/zinc/30/39/82/583303982.db2.gz URHVXDOKMKCOIQ-IHWYPQMZSA-N 0 0 185.242 1.961 10 0 ADAERN C/C=C\CNC(=O)/C=C\C1CC1 863116384 583303987 /nfs/dbraw/zinc/30/39/87/583303987.db2.gz OFTRDOXERZYRBO-QPHZJVINSA-N 0 0 165.236 1.645 10 0 ADAERN C/C=C/CNC(=O)C[C@H](C)OC 863118109 583303991 /nfs/dbraw/zinc/30/39/91/583303991.db2.gz NKDUVVOCBOCREM-ZJELKQJVSA-N 0 0 171.240 1.104 10 0 ADAERN C/C=C\CNC(=O)C1=COCCC1 863118237 583304011 /nfs/dbraw/zinc/30/40/11/583304011.db2.gz RUXNHGRPJFIDML-IHWYPQMZSA-N 0 0 181.235 1.373 10 0 ADAERN C/C=C/CNC(=O)[C@H]1CCC=CO1 863115542 583304029 /nfs/dbraw/zinc/30/40/29/583304029.db2.gz RVXPUXISPQQMRR-GKQMSVHHSA-N 0 0 181.235 1.371 10 0 ADAERN C/C=C/CNC(=O)C1(CC)COC1 863117488 583304046 /nfs/dbraw/zinc/30/40/46/583304046.db2.gz VAMUNONCQMMHHJ-HWKANZROSA-N 0 0 183.251 1.105 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1CCC=CO1 863115543 583304047 /nfs/dbraw/zinc/30/40/47/583304047.db2.gz RVXPUXISPQQMRR-HPOULIHZSA-N 0 0 181.235 1.371 10 0 ADAERN C/C=C/CNC(=O)C1(F)CCCC1 863115672 583304052 /nfs/dbraw/zinc/30/40/52/583304052.db2.gz URHVXDOKMKCOIQ-NSCUHMNNSA-N 0 0 185.242 1.961 10 0 ADAERN C/C=C\CNC(=O)C1=C(C)OCCC1 863117654 583304061 /nfs/dbraw/zinc/30/40/61/583304061.db2.gz ZUXPTLVWZBQUPP-ARJAWSKDSA-N 0 0 195.262 1.763 10 0 ADAERN C/C=C/CNC(=O)/C=C/C1CC1 863116381 583304063 /nfs/dbraw/zinc/30/40/63/583304063.db2.gz OFTRDOXERZYRBO-BLWKUPHCSA-N 0 0 165.236 1.645 10 0 ADAERN C/C=C\CNC(=O)/C=C/C1CC1 863116382 583304064 /nfs/dbraw/zinc/30/40/64/583304064.db2.gz OFTRDOXERZYRBO-BRXUXDTNSA-N 0 0 165.236 1.645 10 0 ADAERN C/C=C(/C)C(=O)NC/C=C/C 863116293 583304071 /nfs/dbraw/zinc/30/40/71/583304071.db2.gz LPDZQQYFEAUMDK-NDWVUGOJSA-N 0 0 153.225 1.645 10 0 ADAERN C/C=C/CNC(=O)/C=C\C1CC1 863116383 583304077 /nfs/dbraw/zinc/30/40/77/583304077.db2.gz OFTRDOXERZYRBO-OBJMPXFKSA-N 0 0 165.236 1.645 10 0 ADAERN C/C=C\CNC(=O)C[C@H](C)OC 863118106 583304082 /nfs/dbraw/zinc/30/40/82/583304082.db2.gz NKDUVVOCBOCREM-LGYSABEFSA-N 0 0 171.240 1.104 10 0 ADAERN C/C=C\CNC(=O)[C@@H](O)C(C)(C)C 863117326 583304118 /nfs/dbraw/zinc/30/41/18/583304118.db2.gz PXWLVMDZUZJACK-RPSMYOMKSA-N 0 0 185.267 1.086 10 0 ADAERN C/C=C\CNC(=O)COC1(C)CCC1 863117559 583304133 /nfs/dbraw/zinc/30/41/33/583304133.db2.gz WZOIKDDATNNJPQ-ARJAWSKDSA-N 0 0 197.278 1.638 10 0 ADAERN C/C=C\CNC(=O)[C@H](O)C(C)(C)C 863117327 583304157 /nfs/dbraw/zinc/30/41/57/583304157.db2.gz PXWLVMDZUZJACK-SLGIHZDVSA-N 0 0 185.267 1.086 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1CC1(C)C 863116899 583304174 /nfs/dbraw/zinc/30/41/74/583304174.db2.gz BZWZALDOFLUFOJ-LGYSABEFSA-N 0 0 167.252 1.725 10 0 ADAERN C/C=C/CNC(=O)/C=C\SC 863116559 583304182 /nfs/dbraw/zinc/30/41/82/583304182.db2.gz SOGSCGWDEIEORH-BZDQXIRASA-N 0 0 171.265 1.555 10 0 ADAERN C/C=C/CNC(=O)C1=COCCC1 863118238 583304194 /nfs/dbraw/zinc/30/41/94/583304194.db2.gz RUXNHGRPJFIDML-NSCUHMNNSA-N 0 0 181.235 1.373 10 0 ADAERN C/C=C/CNC(=O)/C(C)=C/C 863116292 583304201 /nfs/dbraw/zinc/30/42/01/583304201.db2.gz LPDZQQYFEAUMDK-HLQBBKRNSA-N 0 0 153.225 1.645 10 0 ADAERN C/C=C/CNC(=O)[C@H](O)C(C)(C)C 863117324 583304214 /nfs/dbraw/zinc/30/42/14/583304214.db2.gz PXWLVMDZUZJACK-GJIOHYHPSA-N 0 0 185.267 1.086 10 0 ADAERN C/C=C\CNC(=O)C=C1CCC1 863117514 583304218 /nfs/dbraw/zinc/30/42/18/583304218.db2.gz VHRBQZRUQBVUQC-IHWYPQMZSA-N 0 0 165.236 1.789 10 0 ADAERN C/C=C\CNC(=O)/C=C\SC 863116560 583304224 /nfs/dbraw/zinc/30/42/24/583304224.db2.gz SOGSCGWDEIEORH-MRWCJKGFSA-N 0 0 171.265 1.555 10 0 ADAERN C/C=C\CNC(=O)C1=CCCCO1 863115966 583304259 /nfs/dbraw/zinc/30/42/59/583304259.db2.gz FHPPZUNQSXFYBO-IHWYPQMZSA-N 0 0 181.235 1.373 10 0 ADAERN C/C=C/CNC(=O)COC1(C)CCC1 863117560 583304268 /nfs/dbraw/zinc/30/42/68/583304268.db2.gz WZOIKDDATNNJPQ-ONEGZZNKSA-N 0 0 197.278 1.638 10 0 ADAERN C/C=C\CNC(=O)C1(CC)COC1 863117489 583304281 /nfs/dbraw/zinc/30/42/81/583304281.db2.gz VAMUNONCQMMHHJ-HYXAFXHYSA-N 0 0 183.251 1.105 10 0 ADAERN C/C=C/CNC(=O)[C@@H](O)C(C)(C)C 863117325 583304305 /nfs/dbraw/zinc/30/43/05/583304305.db2.gz PXWLVMDZUZJACK-HQZHTGGTSA-N 0 0 185.267 1.086 10 0 ADAERN COC(=O)[C@H](CC(C)C)OC(C)=O 14491085 583304808 /nfs/dbraw/zinc/30/48/08/583304808.db2.gz NVOJXKTYTSSIFJ-QMMMGPOBSA-N 0 0 188.223 1.137 10 0 ADAERN C/C=C\CNC(=S)NCCCC 863232369 583307133 /nfs/dbraw/zinc/30/71/33/583307133.db2.gz POROYZZRHOXLME-HYXAFXHYSA-N 0 0 186.324 1.827 10 0 ADAERN C/C=C/CNC(=S)NCC 863232108 583307142 /nfs/dbraw/zinc/30/71/42/583307142.db2.gz IGMMXLDBWXRYGU-HWKANZROSA-N 0 0 158.270 1.047 10 0 ADAERN C/C=C/CNC(=S)NC(C)C 863231952 583307170 /nfs/dbraw/zinc/30/71/70/583307170.db2.gz FDJSYQVBALNWPB-SNAWJCMRSA-N 0 0 172.297 1.435 10 0 ADAERN C/C=C/CNC(=S)NCCC 863232743 583307201 /nfs/dbraw/zinc/30/72/01/583307201.db2.gz UXJJOZDILJVRAF-HWKANZROSA-N 0 0 172.297 1.437 10 0 ADAERN C/C=C/CNC(=S)NC(C)(C)C 863232539 583307208 /nfs/dbraw/zinc/30/72/08/583307208.db2.gz UVRLLFVYANJMFS-AATRIKPKSA-N 0 0 186.324 1.825 10 0 ADAERN CC/C(C)=C/C(=O)NC[C@H]1C[C@@H](O)C1 863188523 583307212 /nfs/dbraw/zinc/30/72/12/583307212.db2.gz FVQQZYLUEGTACB-HDXDTZNISA-N 0 0 197.278 1.230 10 0 ADAERN CCCCOC(=O)[C@H]1CCC[C@@H]1O 203785940 583307221 /nfs/dbraw/zinc/30/72/21/583307221.db2.gz KZDJYKYNMSXWPP-IUCAKERBSA-N 0 0 186.251 1.491 10 0 ADAERN C/C=C\CNC(=S)NCC 863232109 583307262 /nfs/dbraw/zinc/30/72/62/583307262.db2.gz IGMMXLDBWXRYGU-HYXAFXHYSA-N 0 0 158.270 1.047 10 0 ADAERN C/C=C\CNC(=S)NC(C)C 863231951 583307281 /nfs/dbraw/zinc/30/72/81/583307281.db2.gz FDJSYQVBALNWPB-PLNGDYQASA-N 0 0 172.297 1.435 10 0 ADAERN CNC(=S)NCC[C@H]1CC=CCC1 863222936 583307294 /nfs/dbraw/zinc/30/72/94/583307294.db2.gz IEXXQTHGBJYOOG-VIFPVBQESA-N 0 0 198.335 1.827 10 0 ADAERN C/C=C\CNC(=S)NCCC 863232744 583307298 /nfs/dbraw/zinc/30/72/98/583307298.db2.gz UXJJOZDILJVRAF-HYXAFXHYSA-N 0 0 172.297 1.437 10 0 ADAERN CCCCOC(=O)[C@@H]1CCC[C@@H]1O 203785930 583307321 /nfs/dbraw/zinc/30/73/21/583307321.db2.gz KZDJYKYNMSXWPP-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN C/C=C\CNC(=S)N[C@@H](C)CC 863232023 583307324 /nfs/dbraw/zinc/30/73/24/583307324.db2.gz GOHGDAJGRNBRSY-HORMHSFOSA-N 0 0 186.324 1.825 10 0 ADAERN C/C=C/CNC(=S)NCC1CC1 863232001 583307361 /nfs/dbraw/zinc/30/73/61/583307361.db2.gz FZXQNQHJWPBRGO-NSCUHMNNSA-N 0 0 184.308 1.437 10 0 ADAERN C/C=C\CNC(=S)NC1CC1 863232294 583307376 /nfs/dbraw/zinc/30/73/76/583307376.db2.gz NNKHELGSPZRNMY-IHWYPQMZSA-N 0 0 170.281 1.189 10 0 ADAERN C/C=C/CNC(=S)NC1CCC1 863233100 583307382 /nfs/dbraw/zinc/30/73/82/583307382.db2.gz YIAUVOAOHIZVAX-NSCUHMNNSA-N 0 0 184.308 1.579 10 0 ADAERN C/C=C\CNC(=S)NC1CCC1 863233099 583307401 /nfs/dbraw/zinc/30/74/01/583307401.db2.gz YIAUVOAOHIZVAX-IHWYPQMZSA-N 0 0 184.308 1.579 10 0 ADAERN C/C=C\CNC(=S)NC(C)(C)C 863232540 583307427 /nfs/dbraw/zinc/30/74/27/583307427.db2.gz UVRLLFVYANJMFS-WAYWQWQTSA-N 0 0 186.324 1.825 10 0 ADAERN Cc1nnc(SC[C@H]2C[C@H]2C)n1N 863227211 583307429 /nfs/dbraw/zinc/30/74/29/583307429.db2.gz BZMLTIHHSRKYJM-IYSWYEEDSA-N 0 0 198.295 1.048 10 0 ADAERN C/C=C/CNC(=S)N[C@H](C)CC 863232026 583307488 /nfs/dbraw/zinc/30/74/88/583307488.db2.gz GOHGDAJGRNBRSY-YZCDNWJKSA-N 0 0 186.324 1.825 10 0 ADAERN CC/C(C)=C\C(=O)NC[C@H]1C[C@@H](O)C1 863188524 583307491 /nfs/dbraw/zinc/30/74/91/583307491.db2.gz FVQQZYLUEGTACB-NOQGZOHOSA-N 0 0 197.278 1.230 10 0 ADAERN CCCCOC(=O)[C@@H]1CCC[C@H]1O 203785951 583307494 /nfs/dbraw/zinc/30/74/94/583307494.db2.gz KZDJYKYNMSXWPP-RKDXNWHRSA-N 0 0 186.251 1.491 10 0 ADAERN C/C=C/CNC(=S)N[C@@H](C)CC 863232024 583307499 /nfs/dbraw/zinc/30/74/99/583307499.db2.gz GOHGDAJGRNBRSY-JQTRYQTASA-N 0 0 186.324 1.825 10 0 ADAERN C/C=C\CNC(=S)NC1(C)CC1 863232378 583307507 /nfs/dbraw/zinc/30/75/07/583307507.db2.gz QAFPPYWXEQOUMN-ARJAWSKDSA-N 0 0 184.308 1.579 10 0 ADAERN CSCc1cc(Cl)n(C)n1 863293743 583307510 /nfs/dbraw/zinc/30/75/10/583307510.db2.gz WLIHPOJNFBLCCQ-UHFFFAOYSA-N 0 0 176.672 1.937 10 0 ADAERN C/C=C/CNC(=S)NC1(C)CC1 863232379 583307520 /nfs/dbraw/zinc/30/75/20/583307520.db2.gz QAFPPYWXEQOUMN-ONEGZZNKSA-N 0 0 184.308 1.579 10 0 ADAERN Cc1nnc(SC[C@@H]2C[C@H]2C)n1N 863227212 583307524 /nfs/dbraw/zinc/30/75/24/583307524.db2.gz BZMLTIHHSRKYJM-VDTYLAMSSA-N 0 0 198.295 1.048 10 0 ADAERN CCn1ncc(CSC)n1 863293309 583307529 /nfs/dbraw/zinc/30/75/29/583307529.db2.gz RDMJXEVOZQPDCX-UHFFFAOYSA-N 0 0 157.242 1.161 10 0 ADAERN Cc1nnc(SC[C@@H]2C[C@@H]2C)n1N 863227210 583307553 /nfs/dbraw/zinc/30/75/53/583307553.db2.gz BZMLTIHHSRKYJM-FSPLSTOPSA-N 0 0 198.295 1.048 10 0 ADAERN Cc1nnc(SC[C@H]2C[C@@H]2C)n1N 863227209 583307557 /nfs/dbraw/zinc/30/75/57/583307557.db2.gz BZMLTIHHSRKYJM-CAHLUQPWSA-N 0 0 198.295 1.048 10 0 ADAERN C/C=C/CNC(=S)NCCCC 863232368 583307575 /nfs/dbraw/zinc/30/75/75/583307575.db2.gz POROYZZRHOXLME-HWKANZROSA-N 0 0 186.324 1.827 10 0 ADAERN CCCCOC(=O)[C@H]1CCC[C@H]1O 203785962 583307600 /nfs/dbraw/zinc/30/76/00/583307600.db2.gz KZDJYKYNMSXWPP-DTWKUNHWSA-N 0 0 186.251 1.491 10 0 ADAERN CNC(=S)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1 863232785 583307648 /nfs/dbraw/zinc/30/76/48/583307648.db2.gz WMENSVXFQOVDKK-DIYOJNKTSA-N 0 0 198.335 1.517 10 0 ADAERN C/C=C/CNC(=S)NCC(C)C 863233085 583307666 /nfs/dbraw/zinc/30/76/66/583307666.db2.gz XXJVMCHKLKNKMZ-SNAWJCMRSA-N 0 0 186.324 1.683 10 0 ADAERN C/C=C/CNC(=S)NC1(C)CCC1 863232322 583307674 /nfs/dbraw/zinc/30/76/74/583307674.db2.gz OKCGFZHLWPPQQQ-ONEGZZNKSA-N 0 0 198.335 1.969 10 0 ADAERN C/C=C/CNC(=S)NC1CC1 863232295 583307704 /nfs/dbraw/zinc/30/77/04/583307704.db2.gz NNKHELGSPZRNMY-NSCUHMNNSA-N 0 0 170.281 1.189 10 0 ADAERN C/C=C\CNC(=S)NC1(C)CCC1 863232321 583307708 /nfs/dbraw/zinc/30/77/08/583307708.db2.gz OKCGFZHLWPPQQQ-ARJAWSKDSA-N 0 0 198.335 1.969 10 0 ADAERN CNC(=S)NCC[C@@H]1CC=CCC1 863222935 583307711 /nfs/dbraw/zinc/30/77/11/583307711.db2.gz IEXXQTHGBJYOOG-SECBINFHSA-N 0 0 198.335 1.827 10 0 ADAERN C/C=C\CNC(=S)NCC1CC1 863232000 583307742 /nfs/dbraw/zinc/30/77/42/583307742.db2.gz FZXQNQHJWPBRGO-IHWYPQMZSA-N 0 0 184.308 1.437 10 0 ADAERN C/C=C\CNC(=S)NCC(C)C 863233084 583307751 /nfs/dbraw/zinc/30/77/51/583307751.db2.gz XXJVMCHKLKNKMZ-PLNGDYQASA-N 0 0 186.324 1.683 10 0 ADAERN C/C=C\CNC(=S)N[C@H](C)CC 863232025 583307753 /nfs/dbraw/zinc/30/77/53/583307753.db2.gz GOHGDAJGRNBRSY-RZAAKKIOSA-N 0 0 186.324 1.825 10 0 ADAERN CCn1ncc(CSCC2CC2)n1 863334461 583308023 /nfs/dbraw/zinc/30/80/23/583308023.db2.gz CEAKYFNCOZOUKN-UHFFFAOYSA-N 0 0 197.307 1.941 10 0 ADAERN CS(=O)(=O)C/C(Cl)=C\Cl 863344162 583308034 /nfs/dbraw/zinc/30/80/34/583308034.db2.gz AGSDYRVGUXZIBG-DUXPYHPUSA-N 0 0 189.063 1.350 10 0 ADAERN CCCOCSCC(C)=O 863308608 583308038 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/nfs/dbraw/zinc/32/45/93/583324593.db2.gz XOEKROPCYIMUQZ-SECBINFHSA-N 0 0 199.319 1.798 10 0 ADAERN C[C@H](C(=O)C(C)(C)C)n1ccnn1 865366137 583325450 /nfs/dbraw/zinc/32/54/50/583325450.db2.gz IUEGCOCOROWGDT-SSDOTTSWSA-N 0 0 181.239 1.454 10 0 ADAERN CSCOC1CCOCC1 865353753 583324699 /nfs/dbraw/zinc/32/46/99/583324699.db2.gz IWYFWINUUSZLHY-UHFFFAOYSA-N 0 0 162.254 1.503 10 0 ADAERN Cc1nnnn1[C@H](C)C(=O)C(C)(C)C 865359119 583324713 /nfs/dbraw/zinc/32/47/13/583324713.db2.gz DVLRPRDRCCERQF-ZCFIWIBFSA-N 0 0 196.254 1.158 10 0 ADAERN O=C1NCC[C@@H]1SCCCC1CC1 865289053 583324759 /nfs/dbraw/zinc/32/47/59/583324759.db2.gz XOEKROPCYIMUQZ-VIFPVBQESA-N 0 0 199.319 1.798 10 0 ADAERN Cc1nnnn1CC1CC2(CCC2)C1 865358933 583324776 /nfs/dbraw/zinc/32/47/76/583324776.db2.gz AKCDWGKOYVFOGD-UHFFFAOYSA-N 0 0 192.266 1.562 10 0 ADAERN COCC(C)(C)CSCC(C)=O 865358506 583324882 /nfs/dbraw/zinc/32/48/82/583324882.db2.gz DDKOHDOCSWRZMQ-UHFFFAOYSA-N 0 0 190.308 1.981 10 0 ADAERN OCCSCc1coc(C2CC2)n1 865284696 583324917 /nfs/dbraw/zinc/32/49/17/583324917.db2.gz FQANVXRMGOZRGD-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN c1cn(Cc2coc(C3CC3)n2)cn1 865361735 583324918 /nfs/dbraw/zinc/32/49/18/583324918.db2.gz WYPWFAPIFSXTAD-UHFFFAOYSA-N 0 0 189.218 1.797 10 0 ADAERN Cc1cn(CCC2(O)CC2)c(C)n1 865360594 583324924 /nfs/dbraw/zinc/32/49/24/583324924.db2.gz DJFVOMXZZVMFMV-UHFFFAOYSA-N 0 0 180.251 1.415 10 0 ADAERN CC(C)Cc1cc(NCCO)ncn1 865399801 583325243 /nfs/dbraw/zinc/32/52/43/583325243.db2.gz YMQSMWWKIOCOLB-UHFFFAOYSA-N 0 0 195.266 1.079 10 0 ADAERN CCC[C@H](O)CCCSCCO 865381370 583325253 /nfs/dbraw/zinc/32/52/53/583325253.db2.gz WHBDODFQRSJPOQ-VIFPVBQESA-N 0 0 192.324 1.653 10 0 ADAERN OCCOc1ccc(Cl)nc1F 865396482 583325283 /nfs/dbraw/zinc/32/52/83/583325283.db2.gz WSXHEMVIGXUQOR-UHFFFAOYSA-N 0 0 191.589 1.245 10 0 ADAERN NC(=O)CSCC1CC2(CCC2)C1 865370336 583325294 /nfs/dbraw/zinc/32/52/94/583325294.db2.gz PFXKMYKWGFGIJC-UHFFFAOYSA-N 0 0 199.319 1.785 10 0 ADAERN CC(=O)c1cccc(NC[C@@H](C)O)n1 865402189 583325300 /nfs/dbraw/zinc/32/53/00/583325300.db2.gz SLPDBHLWQUTKIP-SSDOTTSWSA-N 0 0 194.234 1.077 10 0 ADAERN C[C@@H](C(=O)C(C)(C)C)n1ccnn1 865366138 583325301 /nfs/dbraw/zinc/32/53/01/583325301.db2.gz IUEGCOCOROWGDT-ZETCQYMHSA-N 0 0 181.239 1.454 10 0 ADAERN c1cn(CC2CC3(CCC3)C2)nn1 865366300 583325306 /nfs/dbraw/zinc/32/53/06/583325306.db2.gz KVRIMFBQZXVZDN-UHFFFAOYSA-N 0 0 177.251 1.858 10 0 ADAERN CCc1nc(C)cn1CCC1(O)CC1 865393503 583325315 /nfs/dbraw/zinc/32/53/15/583325315.db2.gz YNRIMKIPUIURRS-UHFFFAOYSA-N 0 0 194.278 1.669 10 0 ADAERN COCCNc1cccc(C(C)=O)n1 865397140 583325324 /nfs/dbraw/zinc/32/53/24/583325324.db2.gz MIXOJUVOBNNFSJ-UHFFFAOYSA-N 0 0 194.234 1.343 10 0 ADAERN CC(=O)c1cccc(NC[C@H](C)O)n1 865402190 583325384 /nfs/dbraw/zinc/32/53/84/583325384.db2.gz SLPDBHLWQUTKIP-ZETCQYMHSA-N 0 0 194.234 1.077 10 0 ADAERN Cn1nccc1CSCCCO 865369909 583325413 /nfs/dbraw/zinc/32/54/13/583325413.db2.gz LBSQZDFGCLLCNZ-UHFFFAOYSA-N 0 0 186.280 1.036 10 0 ADAERN CCNc1cccc(C(C)=O)n1 865401360 583325414 /nfs/dbraw/zinc/32/54/14/583325414.db2.gz RERBMJFTXSPFKI-UHFFFAOYSA-N 0 0 164.208 1.716 10 0 ADAERN c1cn(Cc2coc(C3CC3)n2)nn1 865366779 583325552 /nfs/dbraw/zinc/32/55/52/583325552.db2.gz UDCOPRQMEZPSDY-UHFFFAOYSA-N 0 0 190.206 1.192 10 0 ADAERN CC(=O)c1cccc(NCCCO)n1 865397374 583325717 /nfs/dbraw/zinc/32/57/17/583325717.db2.gz GMTUKBIBKDAJRA-UHFFFAOYSA-N 0 0 194.234 1.079 10 0 ADAERN Cn1nnnc1CCSC1CCC1 865368903 583325733 /nfs/dbraw/zinc/32/57/33/583325733.db2.gz GHDDVRYEGNMBPP-UHFFFAOYSA-N 0 0 198.295 1.038 10 0 ADAERN CCCCNc1ccc(F)nn1 865398809 583325756 /nfs/dbraw/zinc/32/57/56/583325756.db2.gz AQGVFPMIAIWFHG-UHFFFAOYSA-N 0 0 169.203 1.828 10 0 ADAERN CCNc1ccc(F)nn1 865401066 583325776 /nfs/dbraw/zinc/32/57/76/583325776.db2.gz FVFSOPVWFMQYEG-UHFFFAOYSA-N 0 0 141.149 1.048 10 0 ADAERN CCC[C@@H](O)CCCSCCO 865381369 583325835 /nfs/dbraw/zinc/32/58/35/583325835.db2.gz WHBDODFQRSJPOQ-SECBINFHSA-N 0 0 192.324 1.653 10 0 ADAERN CC/C=C(\F)C(=O)NC1CCC1 865569865 583326102 /nfs/dbraw/zinc/32/61/02/583326102.db2.gz RBWXQSPYROPUIJ-YWEYNIOJSA-N 0 0 171.215 1.919 10 0 ADAERN Fc1ccc(N[C@@H]2CCCOC2)nn1 865522727 583326109 /nfs/dbraw/zinc/32/61/09/583326109.db2.gz WSSYQKGFJAWRLF-SSDOTTSWSA-N 0 0 197.213 1.207 10 0 ADAERN FCCC[NH2+]Cc1cn(C2CC2)cn1 865495747 583326129 /nfs/dbraw/zinc/32/61/29/583326129.db2.gz OUJWLIWAUHSFAN-UHFFFAOYSA-N 0 0 197.257 1.667 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1ccc(F)nn1 865552829 583326160 /nfs/dbraw/zinc/32/61/60/583326160.db2.gz ISHAAAYJTRDYQP-RQJHMYQMSA-N 0 0 199.229 1.045 10 0 ADAERN C[C@H](Nc1ccc(F)nn1)[C@@H](C)CO 865552822 583326178 /nfs/dbraw/zinc/32/61/78/583326178.db2.gz ISHAAAYJTRDYQP-BQBZGAKWSA-N 0 0 199.229 1.045 10 0 ADAERN CC(C)Cc1cc(N2CCC2)ncn1 865426751 583326179 /nfs/dbraw/zinc/32/61/79/583326179.db2.gz XSAIPIWOXRAXPD-UHFFFAOYSA-N 0 0 191.278 1.885 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1ccc(F)nn1 865552825 583326182 /nfs/dbraw/zinc/32/61/82/583326182.db2.gz ISHAAAYJTRDYQP-NKWVEPMBSA-N 0 0 199.229 1.045 10 0 ADAERN COCCCOC(=O)c1ccccc1 205511515 583326211 /nfs/dbraw/zinc/32/62/11/583326211.db2.gz APQLPNDPGHUOIS-UHFFFAOYSA-N 0 0 194.230 1.880 10 0 ADAERN CC(=O)c1cccc(N[C@H](C)CO)n1 865430134 583326337 /nfs/dbraw/zinc/32/63/37/583326337.db2.gz OQSVJEWGCKGXOP-SSDOTTSWSA-N 0 0 194.234 1.077 10 0 ADAERN CON(C)c1cc(CC(C)C)ncn1 865408434 583326382 /nfs/dbraw/zinc/32/63/82/583326382.db2.gz YQFUBGQPGYVSCX-UHFFFAOYSA-N 0 0 195.266 1.673 10 0 ADAERN CC(C)[C@@H](O)CNc1ccc(F)nn1 865554109 583326391 /nfs/dbraw/zinc/32/63/91/583326391.db2.gz SZYKULDSWWWXAE-ZETCQYMHSA-N 0 0 199.229 1.045 10 0 ADAERN CCCCOC(=O)C1(OC)CC1 205458092 583326412 /nfs/dbraw/zinc/32/64/12/583326412.db2.gz OXMLEBWEQXKUTR-UHFFFAOYSA-N 0 0 172.224 1.509 10 0 ADAERN Fc1ccc(N[C@H]2CCCOC2)nn1 865522728 583326471 /nfs/dbraw/zinc/32/64/71/583326471.db2.gz WSSYQKGFJAWRLF-ZETCQYMHSA-N 0 0 197.213 1.207 10 0 ADAERN CC(=O)c1cccc(N[C@@H](C)CO)n1 865430135 583326506 /nfs/dbraw/zinc/32/65/06/583326506.db2.gz OQSVJEWGCKGXOP-ZETCQYMHSA-N 0 0 194.234 1.077 10 0 ADAERN CC(C)[C@H](O)CNc1ccc(F)nn1 865554106 583326568 /nfs/dbraw/zinc/32/65/68/583326568.db2.gz SZYKULDSWWWXAE-SSDOTTSWSA-N 0 0 199.229 1.045 10 0 ADAERN C[C@H](Nc1ccc(F)nn1)C1CC1 865431206 583326574 /nfs/dbraw/zinc/32/65/74/583326574.db2.gz HLZMGDUITIZDGM-LURJTMIESA-N 0 0 181.214 1.826 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1ccc(F)nn1 865552826 583326604 /nfs/dbraw/zinc/32/66/04/583326604.db2.gz ISHAAAYJTRDYQP-RNFRBKRXSA-N 0 0 199.229 1.045 10 0 ADAERN CC1(CNc2ccc(F)nn2)COC1 865536621 583326623 /nfs/dbraw/zinc/32/66/23/583326623.db2.gz FUBPWSRMASJNMM-UHFFFAOYSA-N 0 0 197.213 1.064 10 0 ADAERN Cc1cc(CNC(CF)CF)on1 865583228 583326902 /nfs/dbraw/zinc/32/69/02/583326902.db2.gz PNYYTJHDSJIHNB-UHFFFAOYSA-N 0 0 190.193 1.380 10 0 ADAERN CCc1csc(N2CCCO2)n1 865668925 583326983 /nfs/dbraw/zinc/32/69/83/583326983.db2.gz SWRVMJQSTATXKE-UHFFFAOYSA-N 0 0 184.264 1.847 10 0 ADAERN C[C@H]1CCN(c2ccc(F)nn2)[C@H]1C 865582342 583327004 /nfs/dbraw/zinc/32/70/04/583327004.db2.gz HHNCCFGXNGJKQD-YUMQZZPRSA-N 0 0 195.241 1.850 10 0 ADAERN C[C@@H]1CCN(c2ccc(F)nn2)[C@@H]1C 865582339 583327039 /nfs/dbraw/zinc/32/70/39/583327039.db2.gz HHNCCFGXNGJKQD-HTQZYQBOSA-N 0 0 195.241 1.850 10 0 ADAERN Cn1cnc(CNCC(C)(C)F)c1 865653722 583327078 /nfs/dbraw/zinc/32/70/78/583327078.db2.gz XAUJJISKGMNZNA-UHFFFAOYSA-N 0 0 185.246 1.258 10 0 ADAERN F[C@@H]1CCCC[C@@H]1NCc1cc[nH]n1 865699560 583327103 /nfs/dbraw/zinc/32/71/03/583327103.db2.gz VJXUAOFLZNKUBO-ZJUUUORDSA-N 0 0 197.257 1.780 10 0 ADAERN CC(=O)OCc1ccoc1C 205629665 583327122 /nfs/dbraw/zinc/32/71/22/583327122.db2.gz DAKOTEWBSOALTO-UHFFFAOYSA-N 0 0 154.165 1.651 10 0 ADAERN F[C@@H]1CCCC[C@@H]1NCc1ncc[nH]1 865699496 583327135 /nfs/dbraw/zinc/32/71/35/583327135.db2.gz TZPFKDJDPACEFP-BDAKNGLRSA-N 0 0 197.257 1.780 10 0 ADAERN CCOC[C@H](C)Nc1ccc(F)nn1 865689297 583327228 /nfs/dbraw/zinc/32/72/28/583327228.db2.gz ZHSIGLZLKWODNB-ZETCQYMHSA-N 0 0 199.229 1.453 10 0 ADAERN CC/C=C(\F)C(=O)NCc1cocn1 865589346 583327368 /nfs/dbraw/zinc/32/73/68/583327368.db2.gz KKINDPADWDHDKB-BAQGIRSFSA-N 0 0 198.197 1.554 10 0 ADAERN CC/C=C(/F)C(=O)NC1CCC1 865569863 583327490 /nfs/dbraw/zinc/32/74/90/583327490.db2.gz RBWXQSPYROPUIJ-XBXARRHUSA-N 0 0 171.215 1.919 10 0 ADAERN Cc1ccc(CNCC(C)(C)F)nn1 865653434 583327558 /nfs/dbraw/zinc/32/75/58/583327558.db2.gz RYYJJNAKOCMQIN-UHFFFAOYSA-N 0 0 197.257 1.623 10 0 ADAERN CC/C=C(/F)C(=O)NCc1cocn1 865589347 583327574 /nfs/dbraw/zinc/32/75/74/583327574.db2.gz KKINDPADWDHDKB-FPYGCLRLSA-N 0 0 198.197 1.554 10 0 ADAERN C[C@H]1CCN(c2ccc(F)nn2)[C@@H]1C 865582340 583327579 /nfs/dbraw/zinc/32/75/79/583327579.db2.gz HHNCCFGXNGJKQD-JGVFFNPUSA-N 0 0 195.241 1.850 10 0 ADAERN C[C@H]1[C@H](C)CCN1c1ccc(F)nn1 865582341 583327668 /nfs/dbraw/zinc/32/76/68/583327668.db2.gz HHNCCFGXNGJKQD-SFYZADRCSA-N 0 0 195.241 1.850 10 0 ADAERN C[C@@H](CF)NCc1cn(C2CC2)cn1 865578861 583327671 /nfs/dbraw/zinc/32/76/71/583327671.db2.gz NWLQXNWVPHBACP-QMMMGPOBSA-N 0 0 197.257 1.666 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ccc(F)nn1 865804016 583327860 /nfs/dbraw/zinc/32/78/60/583327860.db2.gz PGFQJUZSPQFJHW-BQBZGAKWSA-N 0 0 181.214 1.826 10 0 ADAERN Fc1ccc(N2CCC3(CC3)C2)nn1 865756980 583327921 /nfs/dbraw/zinc/32/79/21/583327921.db2.gz HIKYDCYWKUISMA-UHFFFAOYSA-N 0 0 193.225 1.606 10 0 ADAERN CC1=CCCN(c2ccc(F)nn2)C1 865752887 583328004 /nfs/dbraw/zinc/32/80/04/583328004.db2.gz DLJCJMJSFOFBSI-UHFFFAOYSA-N 0 0 193.225 1.772 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ccc(F)nn1 865804018 583328019 /nfs/dbraw/zinc/32/80/19/583328019.db2.gz PGFQJUZSPQFJHW-RNFRBKRXSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ccc(F)nn1 865804019 583328030 /nfs/dbraw/zinc/32/80/30/583328030.db2.gz PGFQJUZSPQFJHW-RQJHMYQMSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@H](F)CCNc1ccc(F)nn1 865835084 583328067 /nfs/dbraw/zinc/32/80/67/583328067.db2.gz YOXDNPPNZRKSRT-LURJTMIESA-N 0 0 187.193 1.776 10 0 ADAERN CC/C=C(\F)C(=O)NCc1ncc[nH]1 865719448 583328118 /nfs/dbraw/zinc/32/81/18/583328118.db2.gz UJSFQTOHFBADGK-CLTKARDFSA-N 0 0 197.213 1.289 10 0 ADAERN C[C@@H](F)CCNc1ccc(F)nn1 865835086 583328272 /nfs/dbraw/zinc/32/82/72/583328272.db2.gz YOXDNPPNZRKSRT-ZCFIWIBFSA-N 0 0 187.193 1.776 10 0 ADAERN FCCCCNc1ccc(F)nn1 865821403 583328273 /nfs/dbraw/zinc/32/82/73/583328273.db2.gz VAOZWABPLVONTA-UHFFFAOYSA-N 0 0 187.193 1.777 10 0 ADAERN CC(=O)c1cccc(NCCF)n1 865752437 583328303 /nfs/dbraw/zinc/32/83/03/583328303.db2.gz VQMPUZYULVJFCV-UHFFFAOYSA-N 0 0 182.198 1.666 10 0 ADAERN CC/C=C(\F)C(=O)N1CC(OC)C1 865743886 583328375 /nfs/dbraw/zinc/32/83/75/583328375.db2.gz WWGMRUNXZWAURC-YWEYNIOJSA-N 0 0 187.214 1.107 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ccc(F)nn1 865804017 583328390 /nfs/dbraw/zinc/32/83/90/583328390.db2.gz PGFQJUZSPQFJHW-NKWVEPMBSA-N 0 0 181.214 1.826 10 0 ADAERN CC/C=C(/F)C(=O)N1CC(OC)C1 865743880 583328413 /nfs/dbraw/zinc/32/84/13/583328413.db2.gz WWGMRUNXZWAURC-XBXARRHUSA-N 0 0 187.214 1.107 10 0 ADAERN C/C=C/CNc1ccc(F)nn1 865972502 583328795 /nfs/dbraw/zinc/32/87/95/583328795.db2.gz WPBUJMOBAUODAY-NSCUHMNNSA-N 0 0 167.187 1.604 10 0 ADAERN FCCn1ccc(NCC2CC2)n1 865837789 583328858 /nfs/dbraw/zinc/32/88/58/583328858.db2.gz VOQPLPNYJWSGNS-UHFFFAOYSA-N 0 0 183.230 1.675 10 0 ADAERN CC(C)(F)CNc1ccc(F)nn1 865987355 583328898 /nfs/dbraw/zinc/32/88/98/583328898.db2.gz ZXOCVXNVSWKDDY-UHFFFAOYSA-N 0 0 187.193 1.776 10 0 ADAERN CC/C=C(/F)C(=O)NCC[C@H](C)O 865951940 583328942 /nfs/dbraw/zinc/32/89/42/583328942.db2.gz LOFVMHOLKYKALG-PUSOHNNWSA-N 0 0 189.230 1.137 10 0 ADAERN Fc1ccc(N[C@H]2CC23CC3)nn1 865889519 583328980 /nfs/dbraw/zinc/32/89/80/583328980.db2.gz MURBZSNNHDCOGK-LURJTMIESA-N 0 0 179.198 1.580 10 0 ADAERN Cc1ccnc(NCC(C)(C)F)n1 865987038 583328985 /nfs/dbraw/zinc/32/89/85/583328985.db2.gz RCBJPKQDHRUPKD-UHFFFAOYSA-N 0 0 183.230 1.945 10 0 ADAERN CC/C=C(\F)C(=O)NCC[C@H](C)O 865951939 583329050 /nfs/dbraw/zinc/32/90/50/583329050.db2.gz LOFVMHOLKYKALG-OJKBXMANSA-N 0 0 189.230 1.137 10 0 ADAERN CC(C)NC(=O)[C@@H]1CC1(C)C 205766576 583329064 /nfs/dbraw/zinc/32/90/64/583329064.db2.gz ICHOKZANQYPDBL-ZETCQYMHSA-N 0 0 155.241 1.557 10 0 ADAERN Fc1ccc(N[C@@H]2CC23CC3)nn1 865889520 583329079 /nfs/dbraw/zinc/32/90/79/583329079.db2.gz MURBZSNNHDCOGK-ZCFIWIBFSA-N 0 0 179.198 1.580 10 0 ADAERN C/C=C\CNc1ccc(F)nn1 865972501 583329081 /nfs/dbraw/zinc/32/90/81/583329081.db2.gz WPBUJMOBAUODAY-IHWYPQMZSA-N 0 0 167.187 1.604 10 0 ADAERN CC/C=C(\F)C(=O)NCC[C@@H](C)O 865951941 583329117 /nfs/dbraw/zinc/32/91/17/583329117.db2.gz LOFVMHOLKYKALG-UDGZVJEDSA-N 0 0 189.230 1.137 10 0 ADAERN CC(C)(F)CNc1cnc(F)cn1 865987110 583329132 /nfs/dbraw/zinc/32/91/32/583329132.db2.gz SZAHIVWVBBVOEI-UHFFFAOYSA-N 0 0 187.193 1.776 10 0 ADAERN CC(C)(F)CNc1cc(F)ncn1 865986713 583329154 /nfs/dbraw/zinc/32/91/54/583329154.db2.gz IYULDTCLATXHAL-UHFFFAOYSA-N 0 0 187.193 1.776 10 0 ADAERN CC/C=C(/F)C(=O)NCC[C@@H](C)O 865951942 583329483 /nfs/dbraw/zinc/32/94/83/583329483.db2.gz LOFVMHOLKYKALG-VKDKVYATSA-N 0 0 189.230 1.137 10 0 ADAERN CC(C)CNc1ccn(CCF)n1 865837514 583329492 /nfs/dbraw/zinc/32/94/92/583329492.db2.gz HIWCWYRSCWHPOT-UHFFFAOYSA-N 0 0 185.246 1.921 10 0 ADAERN Fc1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nn1 865891914 583329505 /nfs/dbraw/zinc/32/95/05/583329505.db2.gz ZCGQAITXPCPAJN-RNLVFQAGSA-N 0 0 193.225 1.826 10 0 ADAERN CC(C)(F)CNc1nccnc1F 865987111 583329513 /nfs/dbraw/zinc/32/95/13/583329513.db2.gz SZEPDTIGXZEDKW-UHFFFAOYSA-N 0 0 187.193 1.776 10 0 ADAERN CN(CCF)c1nccnc1F 865838387 583329521 /nfs/dbraw/zinc/32/95/21/583329521.db2.gz IACRLWJJDCAJEA-UHFFFAOYSA-N 0 0 173.166 1.021 10 0 ADAERN CS[C@H]1C[C@H](Nc2cccnn2)C1 866102201 583329676 /nfs/dbraw/zinc/32/96/76/583329676.db2.gz IANCROUMSYWWDU-ZKCHVHJHSA-N 0 0 195.291 1.783 10 0 ADAERN CC/C=C(\F)C(=O)NCC(C)(C)O 866216444 583329710 /nfs/dbraw/zinc/32/97/10/583329710.db2.gz SBLQELFWYTUWDQ-ALCCZGGFSA-N 0 0 189.230 1.137 10 0 ADAERN CCC=C(F)C(=O)NCc1c[nH]cn1 865992741 583329746 /nfs/dbraw/zinc/32/97/46/583329746.db2.gz IWXWEFFCOKXRPU-BAQGIRSFSA-N 0 0 197.213 1.289 10 0 ADAERN COC/C=C/C(=O)N1C[C@H](C)C[C@@H]1C 866019270 583329829 /nfs/dbraw/zinc/32/98/29/583329829.db2.gz DQSONSVLUZCQRF-CFUOYWMPSA-N 0 0 197.278 1.446 10 0 ADAERN CC/C=C(/F)C(=O)NCc1ccc[nH]1 866148721 583329941 /nfs/dbraw/zinc/32/99/41/583329941.db2.gz QHFYGVNUOMWXDL-RUDMXATFSA-N 0 0 196.225 1.894 10 0 ADAERN COC/C=C\C(=O)N1C[C@H](C)C[C@@H]1C 866019272 583329989 /nfs/dbraw/zinc/32/99/89/583329989.db2.gz DQSONSVLUZCQRF-OOMSKYPHSA-N 0 0 197.278 1.446 10 0 ADAERN CC(C)(F)CNC(=O)C(C)(F)F 866030080 583330002 /nfs/dbraw/zinc/33/00/02/583330002.db2.gz TXMVHZDQTGHMKW-UHFFFAOYSA-N 0 0 183.173 1.506 10 0 ADAERN CC/C=C(/F)C(=O)NCC(C)(C)O 866216446 583330055 /nfs/dbraw/zinc/33/00/55/583330055.db2.gz SBLQELFWYTUWDQ-FNORWQNLSA-N 0 0 189.230 1.137 10 0 ADAERN CC/C=C(/F)C(=O)N(C)c1cn[nH]c1 866279067 583330063 /nfs/dbraw/zinc/33/00/63/583330063.db2.gz HMSNEEZBXHZVSP-XBXARRHUSA-N 0 0 197.213 1.636 10 0 ADAERN CN(C)C(=O)N[C@@H]1CCCC[C@@H]1F 866074312 583330094 /nfs/dbraw/zinc/33/00/94/583330094.db2.gz JUQXXBAZYZMRKY-JGVFFNPUSA-N 0 0 188.246 1.538 10 0 ADAERN CC/C=C(\F)C(=O)N(C)c1cn[nH]c1 866279068 583330137 /nfs/dbraw/zinc/33/01/37/583330137.db2.gz HMSNEEZBXHZVSP-YWEYNIOJSA-N 0 0 197.213 1.636 10 0 ADAERN COC/C=C\C(=O)N1C[C@H](C)C[C@H]1C 866019269 583330153 /nfs/dbraw/zinc/33/01/53/583330153.db2.gz DQSONSVLUZCQRF-BYIQDMNASA-N 0 0 197.278 1.446 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)N(C)C)C1 866094562 583330213 /nfs/dbraw/zinc/33/02/13/583330213.db2.gz AJRXSJAAEYSKDE-LJGSYFOKSA-N 0 0 188.296 1.152 10 0 ADAERN CC1(C)CCN1C(=O)CC1CSC1 866001811 583330295 /nfs/dbraw/zinc/33/02/95/583330295.db2.gz ROIIREGVNSXPGD-UHFFFAOYSA-N 0 0 199.319 1.750 10 0 ADAERN Cn1[nH]cnc1=NCCCCC1CC1 866183743 583330315 /nfs/dbraw/zinc/33/03/15/583330315.db2.gz BBFJUWHHZOMKHO-UHFFFAOYSA-N 0 0 194.282 1.229 10 0 ADAERN CCC=C(F)C(=O)NCc1c[nH]cn1 865992742 583330317 /nfs/dbraw/zinc/33/03/17/583330317.db2.gz IWXWEFFCOKXRPU-FPYGCLRLSA-N 0 0 197.213 1.289 10 0 ADAERN COC/C=C/C(=O)N1C[C@H](C)C[C@H]1C 866019271 583330431 /nfs/dbraw/zinc/33/04/31/583330431.db2.gz DQSONSVLUZCQRF-NUNSBDKSSA-N 0 0 197.278 1.446 10 0 ADAERN CC/C=C(\F)C(=O)NCc1ccc[nH]1 866148722 583330437 /nfs/dbraw/zinc/33/04/37/583330437.db2.gz QHFYGVNUOMWXDL-WTKPLQERSA-N 0 0 196.225 1.894 10 0 ADAERN COC/C=C\C(=O)NCC1(C)CCC1 866401401 583330656 /nfs/dbraw/zinc/33/06/56/583330656.db2.gz ZRHORTTYUKQCOH-HYXAFXHYSA-N 0 0 197.278 1.495 10 0 ADAERN CCON(CC)c1cnc(F)cn1 866306569 583330722 /nfs/dbraw/zinc/33/07/22/583330722.db2.gz JFRGFRACPVFDQK-UHFFFAOYSA-N 0 0 185.202 1.394 10 0 ADAERN C[C@@H](NCC(C)(C)F)c1ncc[nH]1 866408246 583330726 /nfs/dbraw/zinc/33/07/26/583330726.db2.gz INMCCYXHQRMCAH-SSDOTTSWSA-N 0 0 185.246 1.808 10 0 ADAERN CCON(CC)c1ncccn1 866306335 583330746 /nfs/dbraw/zinc/33/07/46/583330746.db2.gz FBOYUXWEPIVGEP-UHFFFAOYSA-N 0 0 167.212 1.254 10 0 ADAERN CCON(CC)c1ncc(F)cn1 866306761 583330750 /nfs/dbraw/zinc/33/07/50/583330750.db2.gz MNFNADGYKYLOEK-UHFFFAOYSA-N 0 0 185.202 1.394 10 0 ADAERN CC/C=C(\F)C(=O)N(C)C[C@H](C)O 866314497 583330763 /nfs/dbraw/zinc/33/07/63/583330763.db2.gz FZTURAMSQMGLFS-BJMRUTCWSA-N 0 0 189.230 1.089 10 0 ADAERN CCON(CC)c1nc(C)ns1 866306004 583330766 /nfs/dbraw/zinc/33/07/66/583330766.db2.gz BJOBKMKVWMWKSR-UHFFFAOYSA-N 0 0 187.268 1.624 10 0 ADAERN CC[C@@H]1CCC(=O)C[C@@H]1O 206046111 583330768 /nfs/dbraw/zinc/33/07/68/583330768.db2.gz BMEKNPUOCLKBEX-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN CCON(CC)c1cc(CC)ncn1 866306419 583330832 /nfs/dbraw/zinc/33/08/32/583330832.db2.gz HKDYJZZWZJHQFK-UHFFFAOYSA-N 0 0 195.266 1.817 10 0 ADAERN CCON(CC)c1nccnc1F 866307345 583330842 /nfs/dbraw/zinc/33/08/42/583330842.db2.gz YMHXMGTVBONBKY-UHFFFAOYSA-N 0 0 185.202 1.394 10 0 ADAERN CC/C=C(/F)C(=O)NCC(F)F 866253180 583330860 /nfs/dbraw/zinc/33/08/60/583330860.db2.gz GBDGBVHLSYDCMB-HWKANZROSA-N 0 0 181.157 1.631 10 0 ADAERN CCON(CC)c1cnccn1 866307105 583330929 /nfs/dbraw/zinc/33/09/29/583330929.db2.gz QULVJHMSDZGYIN-UHFFFAOYSA-N 0 0 167.212 1.254 10 0 ADAERN CC/C=C(/F)C(=O)N(C)C[C@@H](C)O 866314498 583330939 /nfs/dbraw/zinc/33/09/39/583330939.db2.gz FZTURAMSQMGLFS-KBUNYLKBSA-N 0 0 189.230 1.089 10 0 ADAERN CC[C@H]1CCC(=O)C[C@H]1O 206046163 583330962 /nfs/dbraw/zinc/33/09/62/583330962.db2.gz BMEKNPUOCLKBEX-POYBYMJQSA-N 0 0 142.198 1.127 10 0 ADAERN CC/C=C(/F)C(=O)N(C)C[C@H](C)O 866314499 583330975 /nfs/dbraw/zinc/33/09/75/583330975.db2.gz FZTURAMSQMGLFS-QAZRXNLGSA-N 0 0 189.230 1.089 10 0 ADAERN CC/C=C(/F)C(=O)NCc1ccon1 866321048 583330988 /nfs/dbraw/zinc/33/09/88/583330988.db2.gz OXPFOJZBLNFCAD-FPYGCLRLSA-N 0 0 198.197 1.554 10 0 ADAERN CCON(CC)c1ncc(C)cn1 866306926 583331017 /nfs/dbraw/zinc/33/10/17/583331017.db2.gz PBBNGEYYBQTOCR-UHFFFAOYSA-N 0 0 181.239 1.563 10 0 ADAERN CCON(CC)c1nccc(OC)n1 866307382 583331100 /nfs/dbraw/zinc/33/11/00/583331100.db2.gz ZHJLFUPYMUGSPP-UHFFFAOYSA-N 0 0 197.238 1.263 10 0 ADAERN CC/C=C(\F)C(=O)NCc1ccon1 866321047 583331111 /nfs/dbraw/zinc/33/11/11/583331111.db2.gz OXPFOJZBLNFCAD-BAQGIRSFSA-N 0 0 198.197 1.554 10 0 ADAERN CC/C=C(\F)C(=O)NCC(F)F 866253185 583331131 /nfs/dbraw/zinc/33/11/31/583331131.db2.gz GBDGBVHLSYDCMB-HYXAFXHYSA-N 0 0 181.157 1.631 10 0 ADAERN CCC(C)(C)CCS(=O)(=O)NC 866378883 583331141 /nfs/dbraw/zinc/33/11/41/583331141.db2.gz DCVUZWJNKWWTBP-UHFFFAOYSA-N 0 0 193.312 1.362 10 0 ADAERN CCON(CC)c1nccc(C)n1 866306415 583331144 /nfs/dbraw/zinc/33/11/44/583331144.db2.gz HFYLZHVRFFKGLM-UHFFFAOYSA-N 0 0 181.239 1.563 10 0 ADAERN COC/C=C/C(=O)NCC1(C)CCC1 866401400 583331160 /nfs/dbraw/zinc/33/11/60/583331160.db2.gz ZRHORTTYUKQCOH-HWKANZROSA-N 0 0 197.278 1.495 10 0 ADAERN CC[C@H]1CCC(=O)C[C@@H]1O 206046135 583331194 /nfs/dbraw/zinc/33/11/94/583331194.db2.gz BMEKNPUOCLKBEX-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN CCON(CC)c1cc(C)nc(C)n1 866307341 583331222 /nfs/dbraw/zinc/33/12/22/583331222.db2.gz YJYBHUFSRAYCAO-UHFFFAOYSA-N 0 0 195.266 1.871 10 0 ADAERN CCON(CC)c1cc(F)ncn1 866306498 583331227 /nfs/dbraw/zinc/33/12/27/583331227.db2.gz IBNNXZCZLQPLHX-UHFFFAOYSA-N 0 0 185.202 1.394 10 0 ADAERN CCON(CC)c1ccnc(C)n1 866306371 583331243 /nfs/dbraw/zinc/33/12/43/583331243.db2.gz GLDOJBYQGNQDRE-UHFFFAOYSA-N 0 0 181.239 1.563 10 0 ADAERN CCON(CC)c1nnc(C)c(C)n1 866305975 583331255 /nfs/dbraw/zinc/33/12/55/583331255.db2.gz ARGQKOMUXBUYSR-UHFFFAOYSA-N 0 0 196.254 1.266 10 0 ADAERN CC/C=C(\F)C(=O)N(C)C[C@@H](C)O 866314496 583331269 /nfs/dbraw/zinc/33/12/69/583331269.db2.gz FZTURAMSQMGLFS-BESBCXERSA-N 0 0 189.230 1.089 10 0 ADAERN CCON(CC)c1cc(C)ncn1 866306279 583331287 /nfs/dbraw/zinc/33/12/87/583331287.db2.gz CXEYSBXGBWYJFK-UHFFFAOYSA-N 0 0 181.239 1.563 10 0 ADAERN CCON(CC)c1nc(C)cc(C)n1 866307389 583331290 /nfs/dbraw/zinc/33/12/90/583331290.db2.gz ZKCSCNUSCPMGFP-UHFFFAOYSA-N 0 0 195.266 1.871 10 0 ADAERN C[C@H](NCC(C)(C)F)c1ncc[nH]1 866408248 583331336 /nfs/dbraw/zinc/33/13/36/583331336.db2.gz INMCCYXHQRMCAH-ZETCQYMHSA-N 0 0 185.246 1.808 10 0 ADAERN COCc1cccc(OC(=O)OC)c1 866780352 583332357 /nfs/dbraw/zinc/33/23/57/583332357.db2.gz FLQBUUFXFQTUFF-UHFFFAOYSA-N 0 0 196.202 1.978 10 0 ADAERN CC/C=C(\F)C(=O)N[C@@H](C)CCO 866668842 583332474 /nfs/dbraw/zinc/33/24/74/583332474.db2.gz 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/nfs/dbraw/zinc/33/31/35/583333135.db2.gz XJODXZAKXJXZCR-UHFFFAOYSA-N 0 0 192.218 1.601 10 0 ADAERN COC(=O)NCC[C@H]1CCCOC1 867552385 583333285 /nfs/dbraw/zinc/33/32/85/583333285.db2.gz JLHPSSNANHTSTH-MRVPVSSYSA-N 0 0 187.239 1.159 10 0 ADAERN O=C(NCc1cocn1)OC1CCC1 867492895 583333299 /nfs/dbraw/zinc/33/32/99/583333299.db2.gz DSEYMEOEHKYBHL-UHFFFAOYSA-N 0 0 196.206 1.453 10 0 ADAERN COC(=O)N[C@@H]1C[C@H]1c1ccsc1 867563676 583333309 /nfs/dbraw/zinc/33/33/09/583333309.db2.gz OFOMEZKJOMBJAS-JGVFFNPUSA-N 0 0 197.259 1.960 10 0 ADAERN C=C=CCNC(=O)O[C@H](C)COC 867467199 583333321 /nfs/dbraw/zinc/33/33/21/583333321.db2.gz IZVVCEOGFKXIOO-MRVPVSSYSA-N 0 0 185.223 1.089 10 0 ADAERN C=C=CCNC(=O)N1CC[C@H](C)C1 867469061 583333403 /nfs/dbraw/zinc/33/34/03/583333403.db2.gz BLCCOLVXBKJHMN-VIFPVBQESA-N 0 0 180.251 1.379 10 0 ADAERN C=C=CCNC(=O)N(C)CCC 867469033 583333447 /nfs/dbraw/zinc/33/34/47/583333447.db2.gz ABLOPBSPCRTPFL-UHFFFAOYSA-N 0 0 168.240 1.379 10 0 ADAERN C=C=CCNC(=O)O[C@@H](C)COC 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171.215 1.728 10 0 ADAERN COC(=O)N[C@@H]1CCCn2nccc21 867901727 583335107 /nfs/dbraw/zinc/33/51/07/583335107.db2.gz MXFIWNIYPSVNAG-SSDOTTSWSA-N 0 0 195.222 1.074 10 0 ADAERN CC/C=C(/F)C(=O)NCCCCO 867872576 583335119 /nfs/dbraw/zinc/33/51/19/583335119.db2.gz SJDLFVOJBCLLBH-VMPITWQZSA-N 0 0 189.230 1.139 10 0 ADAERN CCC(=O)N[C@@H]1C[C@H]1C1CCOCC1 867881855 583335176 /nfs/dbraw/zinc/33/51/76/583335176.db2.gz WTSLOHKCRCNSKZ-VHSXEESVSA-N 0 0 197.278 1.328 10 0 ADAERN CCC(=O)N[C@@H](C)c1ccnn1C 867853935 583335204 /nfs/dbraw/zinc/33/52/04/583335204.db2.gz IYHXJPNDMHHQKO-ZETCQYMHSA-N 0 0 181.239 1.007 10 0 ADAERN COC/C=C\C(=O)N[C@@H]1C[C@H]1C1CC1 867978878 583335220 /nfs/dbraw/zinc/33/52/20/583335220.db2.gz YEAIGRXPINTJJG-YLBDSCSXSA-N 0 0 195.262 1.104 10 0 ADAERN COC/C=C/C(=O)N[C@@H]1C[C@H]1C1CC1 867978876 583335273 /nfs/dbraw/zinc/33/52/73/583335273.db2.gz YEAIGRXPINTJJG-MDCNRGEUSA-N 0 0 195.262 1.104 10 0 ADAERN COC/C=C/C(=O)N[C@H]1[C@H]2CCC[C@H]21 867888594 583335303 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10 0 ADAERN CCC(=O)OC[C@@H]1CC(C)(C)CO1 869316329 583341213 /nfs/dbraw/zinc/34/12/13/583341213.db2.gz ONAKVYCPOVGQOI-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)N1CCS[C@@H](C)C1 122493534 583341218 /nfs/dbraw/zinc/34/12/18/583341218.db2.gz ODUUFGJDDHNGOI-LURJTMIESA-N 0 0 175.253 1.190 10 0 ADAERN COCCOc1c(C)cccc1N 122475937 583341222 /nfs/dbraw/zinc/34/12/22/583341222.db2.gz YBNRAAWDQIKBII-UHFFFAOYSA-N 0 0 181.235 1.602 10 0 ADAERN CC1(C)CO[C@@H](COC(=O)C2CC2)C1 869316212 583341252 /nfs/dbraw/zinc/34/12/52/583341252.db2.gz NNPHKOZUNHNEFK-SECBINFHSA-N 0 0 198.262 1.755 10 0 ADAERN CC(C)[C@@](C)([NH3+])[C@H](C)C(=O)[O-] 17481332 583341280 /nfs/dbraw/zinc/34/12/80/583341280.db2.gz OIMCTEZJZZYLIC-HTRCEHHLSA-N 0 0 159.229 1.081 10 0 ADAERN CC/C=C(\F)C(=O)NC[C@H](O)CC 869262586 583341286 /nfs/dbraw/zinc/34/12/86/583341286.db2.gz STFRSZDBOGYYCU-BESBCXERSA-N 0 0 189.230 1.137 10 0 ADAERN CCCCC(=O)COC(=O)[C@@H]1C[C@H]1C 869317555 583341289 /nfs/dbraw/zinc/34/12/89/583341289.db2.gz DNQHPJPCLPYLPW-PSASIEDQSA-N 0 0 198.262 1.945 10 0 ADAERN O=C(CC1CSC1)N[C@H]1C=CCC1 869242282 583341309 /nfs/dbraw/zinc/34/13/09/583341309.db2.gz HYVZJKWMZRTCLL-VIFPVBQESA-N 0 0 197.303 1.574 10 0 ADAERN CC(=O)OCc1nc(C2CCC2)no1 869313795 583341351 /nfs/dbraw/zinc/34/13/51/583341351.db2.gz CBWQIYGTPOTAKR-UHFFFAOYSA-N 0 0 196.206 1.400 10 0 ADAERN CCCCC(=O)COC(=O)C1CC1 869316664 583341359 /nfs/dbraw/zinc/34/13/59/583341359.db2.gz VOZGQMCYZZHNAC-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN C/C=C\CNC(=O)/C(F)=C/CC 869456704 583341667 /nfs/dbraw/zinc/34/16/67/583341667.db2.gz OLIDVBZRQOTWRZ-NIOMPZRHSA-N 0 0 171.215 1.942 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 869455606 583341673 /nfs/dbraw/zinc/34/16/73/583341673.db2.gz FADHZAVLPVEBMJ-CYFJLSIESA-N 0 0 193.290 1.971 10 0 ADAERN CC/C=C(\F)C(=O)N1C[C@H]2C[C@H]2C1 869393454 583341862 /nfs/dbraw/zinc/34/18/62/583341862.db2.gz NMUGNEYEEKIJHD-VPJUWPHDSA-N 0 0 183.226 1.728 10 0 ADAERN CCC=C(F)C(=O)Nn1cccn1 869412765 583341865 /nfs/dbraw/zinc/34/18/65/583341865.db2.gz QRGHZDGCUDPYCP-QPJJXVBHSA-N 0 0 183.186 1.217 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 869455607 583341962 /nfs/dbraw/zinc/34/19/62/583341962.db2.gz FADHZAVLPVEBMJ-NNBHIDBQSA-N 0 0 193.290 1.971 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 869455605 583341982 /nfs/dbraw/zinc/34/19/82/583341982.db2.gz FADHZAVLPVEBMJ-ATQOSNJZSA-N 0 0 193.290 1.971 10 0 ADAERN C/C=C/CNC(=O)/C(F)=C\CC 869456707 583341990 /nfs/dbraw/zinc/34/19/90/583341990.db2.gz OLIDVBZRQOTWRZ-QFXXITGJSA-N 0 0 171.215 1.942 10 0 ADAERN C/C=C\CNC(=O)/C(F)=C\CC 869456695 583342096 /nfs/dbraw/zinc/34/20/96/583342096.db2.gz OLIDVBZRQOTWRZ-CUKJDEOPSA-N 0 0 171.215 1.942 10 0 ADAERN C/C=C/CNC(=O)/C(F)=C/CC 869456702 583342297 /nfs/dbraw/zinc/34/22/97/583342297.db2.gz OLIDVBZRQOTWRZ-GMWFMGJWSA-N 0 0 171.215 1.942 10 0 ADAERN CCC=C(F)C(=O)Nn1cccn1 869412764 583342299 /nfs/dbraw/zinc/34/22/99/583342299.db2.gz QRGHZDGCUDPYCP-DAXSKMNVSA-N 0 0 183.186 1.217 10 0 ADAERN O=C(OCCCC1CC1)C1COC1 869480420 583342313 /nfs/dbraw/zinc/34/23/13/583342313.db2.gz BCDVXARERFVZEP-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN COC1(C(=O)OCCCC2CC2)CC1 869544036 583342388 /nfs/dbraw/zinc/34/23/88/583342388.db2.gz BLXWXEAHTQQRHG-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN CC/C=C(/F)C(=O)N1C[C@H]2C[C@H]2C1 869393453 583342453 /nfs/dbraw/zinc/34/24/53/583342453.db2.gz NMUGNEYEEKIJHD-TUAQSSMMSA-N 0 0 183.226 1.728 10 0 ADAERN C/C=C/COC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 869656238 583342673 /nfs/dbraw/zinc/34/26/73/583342673.db2.gz TXFNZWUDRFWJHZ-PGMPKUOGSA-N 0 0 198.262 1.919 10 0 ADAERN CC(C)(F)CNC(=O)C1(F)CC1 869622005 583342677 /nfs/dbraw/zinc/34/26/77/583342677.db2.gz NYROZKFCFPHPHZ-UHFFFAOYSA-N 0 0 177.194 1.353 10 0 ADAERN Cc1cc[nH]c1C(=O)NCC(C)(C)F 869623293 583342692 /nfs/dbraw/zinc/34/26/92/583342692.db2.gz LJVIFLCCNSVTRO-UHFFFAOYSA-N 0 0 198.241 1.801 10 0 ADAERN CCC(F)(F)C(=O)NCC(C)(C)F 869620892 583342698 /nfs/dbraw/zinc/34/26/98/583342698.db2.gz CONDTDOGXDAHDH-UHFFFAOYSA-N 0 0 197.200 1.896 10 0 ADAERN COC/C=C/C(=O)NCC(C)(C)F 869619547 583342722 /nfs/dbraw/zinc/34/27/22/583342722.db2.gz AMJIDORUPMLKOA-SNAWJCMRSA-N 0 0 189.230 1.053 10 0 ADAERN C/C=C/C(=O)NCC(C)(C)F 869629609 583342740 /nfs/dbraw/zinc/34/27/40/583342740.db2.gz SJGTTZGTJJPZJP-SNAWJCMRSA-N 0 0 159.204 1.427 10 0 ADAERN C/C=C\COC(=O)[C@@H]1C[C@H](C)O[C@H]1C 869656237 583342766 /nfs/dbraw/zinc/34/27/66/583342766.db2.gz TXFNZWUDRFWJHZ-GOUYISOISA-N 0 0 198.262 1.919 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)OCC2CC2)[C@@H](C)O1 869655112 583342787 /nfs/dbraw/zinc/34/27/87/583342787.db2.gz NGWCKIVZLOTQHP-NQMVMOMDSA-N 0 0 198.262 1.753 10 0 ADAERN CC(C)[C@@H](F)C(=O)NCC(C)(C)F 869623593 583342801 /nfs/dbraw/zinc/34/28/01/583342801.db2.gz JGJWCKYKMPNMPZ-SSDOTTSWSA-N 0 0 193.237 1.845 10 0 ADAERN CS/C=C\C(=O)NCC(C)(C)F 869625415 583342825 /nfs/dbraw/zinc/34/28/25/583342825.db2.gz VRCCTLYDFPKERQ-PLNGDYQASA-N 0 0 191.271 1.727 10 0 ADAERN CC(C)(F)CNC(=O)C=C1CCC1 869624387 583342841 /nfs/dbraw/zinc/34/28/41/583342841.db2.gz AWWKRCQLOOWDHF-UHFFFAOYSA-N 0 0 185.242 1.961 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)OCCF)[C@@H](C)O1 869651679 583342861 /nfs/dbraw/zinc/34/28/61/583342861.db2.gz OQHHHVXENVDBNK-BWZBUEFSSA-N 0 0 190.214 1.313 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1C(=O)OCC1CC1 869655110 583342898 /nfs/dbraw/zinc/34/28/98/583342898.db2.gz NGWCKIVZLOTQHP-KHQFGBGNSA-N 0 0 198.262 1.753 10 0 ADAERN CC(C)[C@H](F)C(=O)NCC(C)(C)F 869623594 583342908 /nfs/dbraw/zinc/34/29/08/583342908.db2.gz JGJWCKYKMPNMPZ-ZETCQYMHSA-N 0 0 193.237 1.845 10 0 ADAERN CS/C=C/C(=O)NCC(C)(C)F 869625416 583342913 /nfs/dbraw/zinc/34/29/13/583342913.db2.gz VRCCTLYDFPKERQ-SNAWJCMRSA-N 0 0 191.271 1.727 10 0 ADAERN CC(C)(F)CNC(=O)/C=C/C1CC1 869625181 583342924 /nfs/dbraw/zinc/34/29/24/583342924.db2.gz NQZPJYJNVAHVHC-AATRIKPKSA-N 0 0 185.242 1.817 10 0 ADAERN C/C=C\COC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 869656235 583342951 /nfs/dbraw/zinc/34/29/51/583342951.db2.gz TXFNZWUDRFWJHZ-ARSARZMSSA-N 0 0 198.262 1.919 10 0 ADAERN C[C@@H]1C[C@H](C(=O)OCC2CC2)[C@@H](C)O1 869655111 583342966 /nfs/dbraw/zinc/34/29/66/583342966.db2.gz NGWCKIVZLOTQHP-MRTMQBJTSA-N 0 0 198.262 1.753 10 0 ADAERN O=C(OCCCO)[C@]12CCCC[C@H]1C2 869704946 583342983 /nfs/dbraw/zinc/34/29/83/583342983.db2.gz BFTCDFRUGNZGNE-ONGXEEELSA-N 0 0 198.262 1.492 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1C(=O)OCC1CC1 869655113 583343002 /nfs/dbraw/zinc/34/30/02/583343002.db2.gz NGWCKIVZLOTQHP-WEDXCCLWSA-N 0 0 198.262 1.753 10 0 ADAERN CC(=O)COC(=O)[C@@H]1C[C@H]1C(C)(C)C 869650645 583343007 /nfs/dbraw/zinc/34/30/07/583343007.db2.gz QUHCHWRIBBATHG-RKDXNWHRSA-N 0 0 198.262 1.801 10 0 ADAERN C/C=C/COC(=O)[C@@H]1C[C@H](C)O[C@H]1C 869656236 583343014 /nfs/dbraw/zinc/34/30/14/583343014.db2.gz TXFNZWUDRFWJHZ-DOJWVHCASA-N 0 0 198.262 1.919 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1C(=O)OCCF 869651681 583343030 /nfs/dbraw/zinc/34/30/30/583343030.db2.gz OQHHHVXENVDBNK-GJMOJQLCSA-N 0 0 190.214 1.313 10 0 ADAERN C[C@@H]1C[C@H](C(=O)OCCF)[C@@H](C)O1 869651682 583343034 /nfs/dbraw/zinc/34/30/34/583343034.db2.gz OQHHHVXENVDBNK-PRJMDXOYSA-N 0 0 190.214 1.313 10 0 ADAERN C/C=C\C(=O)NCC(C)(C)F 869629608 583343057 /nfs/dbraw/zinc/34/30/57/583343057.db2.gz SJGTTZGTJJPZJP-PLNGDYQASA-N 0 0 159.204 1.427 10 0 ADAERN CC(C)(F)CNC(=O)/C=C\C1CC1 869625182 583343092 /nfs/dbraw/zinc/34/30/92/583343092.db2.gz NQZPJYJNVAHVHC-WAYWQWQTSA-N 0 0 185.242 1.817 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1C(=O)OCCF 869651680 583343175 /nfs/dbraw/zinc/34/31/75/583343175.db2.gz OQHHHVXENVDBNK-CSMHCCOUSA-N 0 0 190.214 1.313 10 0 ADAERN CC(C)(F)CNC(=O)C(F)F 869629450 583343205 /nfs/dbraw/zinc/34/32/05/583343205.db2.gz MZYOXXVRQIOALC-UHFFFAOYSA-N 0 0 169.146 1.116 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1C(=O)OCCO 869647610 583343207 /nfs/dbraw/zinc/34/32/07/583343207.db2.gz GUUHMSJVUQLYEA-HTQZYQBOSA-N 0 0 186.251 1.204 10 0 ADAERN CO[C@H](C)CC(=O)NCC(C)(C)F 869627511 583343214 /nfs/dbraw/zinc/34/32/14/583343214.db2.gz NZSNZBLZGLGZJH-SSDOTTSWSA-N 0 0 191.246 1.276 10 0 ADAERN CC(C)(F)CNC(=O)C1=COCC1 869625895 583343216 /nfs/dbraw/zinc/34/32/16/583343216.db2.gz JUVMJAWRIBSOEG-UHFFFAOYSA-N 0 0 187.214 1.155 10 0 ADAERN CO[C@@H](C)CC(=O)NCC(C)(C)F 869627512 583343237 /nfs/dbraw/zinc/34/32/37/583343237.db2.gz NZSNZBLZGLGZJH-ZETCQYMHSA-N 0 0 191.246 1.276 10 0 ADAERN COC/C=C\C(=O)NCC(C)(C)F 869619536 583343242 /nfs/dbraw/zinc/34/32/42/583343242.db2.gz AMJIDORUPMLKOA-PLNGDYQASA-N 0 0 189.230 1.053 10 0 ADAERN CC(C)=CC(=O)NCC(C)(C)F 869629801 583343151 /nfs/dbraw/zinc/34/31/51/583343151.db2.gz WKXGGYWKXRUNIC-UHFFFAOYSA-N 0 0 173.231 1.817 10 0 ADAERN CC(=O)COC(=O)[C@]12CCCC[C@H]1C2 869706038 583343366 /nfs/dbraw/zinc/34/33/66/583343366.db2.gz IEYPZUVJRGVMGZ-ONGXEEELSA-N 0 0 196.246 1.699 10 0 ADAERN C[C@H](O)COC(=O)[C@]12CCCC[C@H]1C2 869704939 583343407 /nfs/dbraw/zinc/34/34/07/583343407.db2.gz WNEJBMONGMKUSS-QXEWZRGKSA-N 0 0 198.262 1.491 10 0 ADAERN CCCOC(=O)c1nccc(C)c1N 869787326 583343508 /nfs/dbraw/zinc/34/35/08/583343508.db2.gz QKOQYRGRFXUIBO-UHFFFAOYSA-N 0 0 194.234 1.539 10 0 ADAERN Cc1ccnc(C(=O)OCCF)c1N 869788379 583343613 /nfs/dbraw/zinc/34/36/13/583343613.db2.gz SCBNZEYOQYWSNE-UHFFFAOYSA-N 0 0 198.197 1.099 10 0 ADAERN O=C(OCCCO)[C@@]12CCCC[C@@H]1C2 869704945 583343633 /nfs/dbraw/zinc/34/36/33/583343633.db2.gz BFTCDFRUGNZGNE-MWLCHTKSSA-N 0 0 198.262 1.492 10 0 ADAERN COC(=O)C1([C@@H]2CCCCO2)CCC1 869812702 583343646 /nfs/dbraw/zinc/34/36/46/583343646.db2.gz UZWPEDFXDQVHSP-VIFPVBQESA-N 0 0 198.262 1.899 10 0 ADAERN COCCOC(=O)[C@]12CCCC[C@H]1C2 869704025 583343658 /nfs/dbraw/zinc/34/36/58/583343658.db2.gz MODFXPQGLKOILR-ONGXEEELSA-N 0 0 198.262 1.756 10 0 ADAERN O=C(OCCO)[C@]12CCCC[C@H]1C2 869705802 583343696 /nfs/dbraw/zinc/34/36/96/583343696.db2.gz GKKKJPGVSXYZPR-WPRPVWTQSA-N 0 0 184.235 1.102 10 0 ADAERN COCCOC(=O)[C@@]12CCCC[C@@H]1C2 869704024 583343768 /nfs/dbraw/zinc/34/37/68/583343768.db2.gz MODFXPQGLKOILR-MWLCHTKSSA-N 0 0 198.262 1.756 10 0 ADAERN O=C(N[C@H]1CCCC12CC2)C1(F)CC1 869750888 583343797 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AIPYZMNZJGOLKU-BQYQJAHWSA-N 0 0 183.251 1.248 10 0 ADAERN C/C=C(/C=C\C(=O)NC1COC1)CC 870868355 583349183 /nfs/dbraw/zinc/34/91/83/583349183.db2.gz GHPOCBKHQIKONO-JZDKOIQPSA-N 0 0 195.262 1.414 10 0 ADAERN CCC(=CC(=O)NC1COC1)CC 870868572 583349195 /nfs/dbraw/zinc/34/91/95/583349195.db2.gz JOWRRYJOHPTVBH-UHFFFAOYSA-N 0 0 183.251 1.248 10 0 ADAERN C/C=C/C(=O)N[C@H]1C[C@H](SC)C1 871087810 583351237 /nfs/dbraw/zinc/35/12/37/583351237.db2.gz KXRYRFGJLLAYGG-VIYINQJASA-N 0 0 185.292 1.573 10 0 ADAERN O=C(/C=C\C1CCCC1)NC1COC1 870871513 583349234 /nfs/dbraw/zinc/34/92/34/583349234.db2.gz CQKNISZHNXNRER-WAYWQWQTSA-N 0 0 195.262 1.248 10 0 ADAERN C[C@@H]1CC/C(=C/C(=O)NC2COC2)C1 870868646 583349309 /nfs/dbraw/zinc/34/93/09/583349309.db2.gz NLHJGPSTFYSKKE-CPJBWDMUSA-N 0 0 195.262 1.248 10 0 ADAERN O=C(NC1COC1)C(F)=C1CCCC1 870868507 583349317 /nfs/dbraw/zinc/34/93/17/583349317.db2.gz IBGGYMMBWAOYJX-UHFFFAOYSA-N 0 0 199.225 1.299 10 0 ADAERN C[C@@H]1CC/C(=C\C(=O)NC2COC2)C1 870868645 583349450 /nfs/dbraw/zinc/34/94/50/583349450.db2.gz NLHJGPSTFYSKKE-CBVZUMJXSA-N 0 0 195.262 1.248 10 0 ADAERN Cc1ccc(CNC(=O)C2(F)CC2)o1 871022805 583350180 /nfs/dbraw/zinc/35/01/80/583350180.db2.gz LZLWOXYVPAHJOW-UHFFFAOYSA-N 0 0 197.209 1.706 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)C(F)F)C1 871087880 583350644 /nfs/dbraw/zinc/35/06/44/583350644.db2.gz NOXLDLXOVQFIJA-URHBZAFASA-N 0 0 195.234 1.262 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)C=C(C)C)C1 871087887 583350791 /nfs/dbraw/zinc/35/07/91/583350791.db2.gz NSKYLLIROXXGPS-KYZUINATSA-N 0 0 199.319 1.963 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 871087541 583350883 /nfs/dbraw/zinc/35/08/83/583350883.db2.gz GJSYGVFQSJWJKF-FNCVBFRFSA-N 0 0 199.319 1.653 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)C1 871087543 583350957 /nfs/dbraw/zinc/35/09/57/583350957.db2.gz GJSYGVFQSJWJKF-XSPKLOCKSA-N 0 0 199.319 1.653 10 0 ADAERN CCCC(=O)N[C@H]1C[C@H](SC)C1 871088019 583351060 /nfs/dbraw/zinc/35/10/60/583351060.db2.gz RJFUOTVSBXXLDQ-ZKCHVHJHSA-N 0 0 187.308 1.797 10 0 ADAERN C/C=C\C(=O)N[C@H]1C[C@H](SC)C1 871087809 583351146 /nfs/dbraw/zinc/35/11/46/583351146.db2.gz KXRYRFGJLLAYGG-QENVOVKUSA-N 0 0 185.292 1.573 10 0 ADAERN C/C=C/C=C\C(=O)N[C@H]1CCC[C@@H]1O 871111432 583351195 /nfs/dbraw/zinc/35/11/95/583351195.db2.gz ABGYNVHZTOKJQH-UJCMOLCMSA-N 0 0 195.262 1.148 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)C2(C)CC2)C1 871094785 583351207 /nfs/dbraw/zinc/35/12/07/583351207.db2.gz VDWGWKXJDFOYLH-ZKCHVHJHSA-N 0 0 199.319 1.797 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 871087542 583351241 /nfs/dbraw/zinc/35/12/41/583351241.db2.gz GJSYGVFQSJWJKF-JBDRJPRFSA-N 0 0 199.319 1.653 10 0 ADAERN CC1(C)C[C@H]1C(=O)N[C@H]1CCC[C@@H]1O 871113079 583351243 /nfs/dbraw/zinc/35/12/43/583351243.db2.gz DQEFMJCDAHYHDR-CIUDSAMLSA-N 0 0 197.278 1.062 10 0 ADAERN CS[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C)C1 871087540 583351245 /nfs/dbraw/zinc/35/12/45/583351245.db2.gz GJSYGVFQSJWJKF-BGZDPUMWSA-N 0 0 199.319 1.653 10 0 ADAERN CC(=O)NCCC[C@H]1C=CCC1 871598021 583351545 /nfs/dbraw/zinc/35/15/45/583351545.db2.gz ZQMISHYGYLONJH-JTQLQIEISA-N 0 0 167.252 1.869 10 0 ADAERN CC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 871596891 583351714 /nfs/dbraw/zinc/35/17/14/583351714.db2.gz GPNAGOZEXCXGSZ-KXUCPTDWSA-N 0 0 183.251 1.080 10 0 ADAERN CC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 871596892 583351796 /nfs/dbraw/zinc/35/17/96/583351796.db2.gz GPNAGOZEXCXGSZ-LPEHRKFASA-N 0 0 183.251 1.080 10 0 ADAERN CCCCOC(=O)[C@H]1CCC(=O)O1 209036460 583351831 /nfs/dbraw/zinc/35/18/31/583351831.db2.gz DLDDXBBRJYTPJA-SSDOTTSWSA-N 0 0 186.207 1.035 10 0 ADAERN CC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 871596890 583351604 /nfs/dbraw/zinc/35/16/04/583351604.db2.gz GPNAGOZEXCXGSZ-GUBZILKMSA-N 0 0 183.251 1.080 10 0 ADAERN c1cc(CC2CC2)ncn1 18859096 583352330 /nfs/dbraw/zinc/35/23/30/583352330.db2.gz ORWSNFFASQLEFN-UHFFFAOYSA-N 0 0 134.182 1.429 10 0 ADAERN CC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 871596893 583352397 /nfs/dbraw/zinc/35/23/97/583352397.db2.gz GPNAGOZEXCXGSZ-UTLUCORTSA-N 0 0 183.251 1.080 10 0 ADAERN CC1=NN(C23CC(C2)C3)C(=O)[C@@H]1F 871960423 583357929 /nfs/dbraw/zinc/35/79/29/583357929.db2.gz YICNDBSWATZRCK-KDIYEYIXSA-N 0 0 182.198 1.095 10 0 ADAERN CC(=O)NCCC[C@@H]1C=CCC1 871598022 583352466 /nfs/dbraw/zinc/35/24/66/583352466.db2.gz ZQMISHYGYLONJH-SNVBAGLBSA-N 0 0 167.252 1.869 10 0 ADAERN CC1CC(NC(=O)n2ccnc2)C1 123700273 583352508 /nfs/dbraw/zinc/35/25/08/583352508.db2.gz JKIAPHKTRYIRNV-UHFFFAOYSA-N 0 0 179.223 1.239 10 0 ADAERN CC(=O)NOCc1coc(C2CC2)n1 871729223 583354190 /nfs/dbraw/zinc/35/41/90/583354190.db2.gz FZPZWIYQEQUBEA-UHFFFAOYSA-N 0 0 196.206 1.120 10 0 ADAERN CNC(=O)NCCC[C@H]1C=CCC1 871625246 583352758 /nfs/dbraw/zinc/35/27/58/583352758.db2.gz SAUPENSKXDCXSR-VIFPVBQESA-N 0 0 182.267 1.662 10 0 ADAERN Cc1conc1CSc1cn[nH]n1 871656724 583352832 /nfs/dbraw/zinc/35/28/32/583352832.db2.gz VFRNKNKRENCJMX-UHFFFAOYSA-N 0 0 196.235 1.393 10 0 ADAERN CO[C@H]1C[C@@H](COCc2ncc[nH]2)C1 871664225 583352842 /nfs/dbraw/zinc/35/28/42/583352842.db2.gz SOYSCOZNUWNRNJ-DTORHVGOSA-N 0 0 196.250 1.351 10 0 ADAERN CSCc1nocc1C 871649044 583352864 /nfs/dbraw/zinc/35/28/64/583352864.db2.gz CMRDOKGNUVHGPT-UHFFFAOYSA-N 0 0 143.211 1.846 10 0 ADAERN CC(=O)CSCc1nocc1C 871655967 583352880 /nfs/dbraw/zinc/35/28/80/583352880.db2.gz ZLYSJWLVHHNTDH-UHFFFAOYSA-N 0 0 185.248 1.805 10 0 ADAERN Cc1conc1CSc1nc[nH]n1 871632153 583352923 /nfs/dbraw/zinc/35/29/23/583352923.db2.gz RMRSTNSLWFULFZ-UHFFFAOYSA-N 0 0 196.235 1.393 10 0 ADAERN Cc1conc1C[S@@](=O)CC1CC1 871611165 583352944 /nfs/dbraw/zinc/35/29/44/583352944.db2.gz NGLUMDSGKYIEQZ-ZDUSSCGKSA-N 0 0 199.275 1.642 10 0 ADAERN Cc1conc1CSc1ncc[nH]1 871655179 583352949 /nfs/dbraw/zinc/35/29/49/583352949.db2.gz SRQUXWLWDAOKOB-UHFFFAOYSA-N 0 0 195.247 1.998 10 0 ADAERN Cc1conc1C[S@](=O)C1CCC1 871611196 583352953 /nfs/dbraw/zinc/35/29/53/583352953.db2.gz NWTAPWNGERDVAM-ZDUSSCGKSA-N 0 0 199.275 1.784 10 0 ADAERN Cc1conc1Cn1cc(Cl)cn1 871653850 583352991 /nfs/dbraw/zinc/35/29/91/583352991.db2.gz CSDURICQNOTIQL-UHFFFAOYSA-N 0 0 197.625 1.881 10 0 ADAERN C/C=C\C[S@](=O)Cc1nocc1C 871607201 583353007 /nfs/dbraw/zinc/35/30/07/583353007.db2.gz ZUHNFUJPJQKFGV-SCOBNMCVSA-N 0 0 199.275 1.808 10 0 ADAERN CO[C@H]1C[C@@H](CSc2c[nH]nn2)C1 871656426 583353043 /nfs/dbraw/zinc/35/30/43/583353043.db2.gz IPROLGNYSMPSFM-KNVOCYPGSA-N 0 0 199.279 1.322 10 0 ADAERN CC[S@](=O)Cc1nocc1C 871611725 583353067 /nfs/dbraw/zinc/35/30/67/583353067.db2.gz VBLIADKCQKASMS-NSHDSACASA-N 0 0 173.237 1.252 10 0 ADAERN COCCSC[C@H]1C[C@@H](OC)C1 871654913 583353072 /nfs/dbraw/zinc/35/30/72/583353072.db2.gz HIYPQPLHVKJDMI-DTORHVGOSA-N 0 0 190.308 1.791 10 0 ADAERN Cc1conc1C[S@](=O)CC1CC1 871611164 583353094 /nfs/dbraw/zinc/35/30/94/583353094.db2.gz NGLUMDSGKYIEQZ-CYBMUJFWSA-N 0 0 199.275 1.642 10 0 ADAERN Cc1conc1Cn1cnc(Cl)n1 871671844 583353123 /nfs/dbraw/zinc/35/31/23/583353123.db2.gz PGGXLZPCDLLGAQ-UHFFFAOYSA-N 0 0 198.613 1.276 10 0 ADAERN NC(=O)NCCC[C@@H]1C=CCC1 871625105 583353143 /nfs/dbraw/zinc/35/31/43/583353143.db2.gz OHVXBDOLVQMXJA-MRVPVSSYSA-N 0 0 168.240 1.401 10 0 ADAERN Cc1conc1COCc1ncc[nH]1 871663280 583353147 /nfs/dbraw/zinc/35/31/47/583353147.db2.gz FKFQSNCIJLUDAB-UHFFFAOYSA-N 0 0 193.206 1.423 10 0 ADAERN C/C=C/C[S@](=O)Cc1nocc1C 871607200 583353171 /nfs/dbraw/zinc/35/31/71/583353171.db2.gz ZUHNFUJPJQKFGV-OOPCZODUSA-N 0 0 199.275 1.808 10 0 ADAERN CC(C)OC1(CNC(N)=O)CCC1 871625957 583353185 /nfs/dbraw/zinc/35/31/85/583353185.db2.gz RMSPVOLHENDLLV-UHFFFAOYSA-N 0 0 186.255 1.002 10 0 ADAERN CC[S@@](=O)Cc1nocc1C 871611724 583353191 /nfs/dbraw/zinc/35/31/91/583353191.db2.gz VBLIADKCQKASMS-LLVKDONJSA-N 0 0 173.237 1.252 10 0 ADAERN CO[C@H]1C[C@@H](COc2nc(C)no2)C1 871653122 583353208 /nfs/dbraw/zinc/35/32/08/583353208.db2.gz LDMZSQSMBYZKST-OCAPTIKFSA-N 0 0 198.222 1.182 10 0 ADAERN Cc1noc(OCc2nocc2C)n1 871652718 583353217 /nfs/dbraw/zinc/35/32/17/583353217.db2.gz AWPRKIVDRJNOEE-UHFFFAOYSA-N 0 0 195.178 1.253 10 0 ADAERN CO[C@H]1C[C@@H](CSC)C1 871649853 583353220 /nfs/dbraw/zinc/35/32/20/583353220.db2.gz LOPUYXDFHYZQOE-KNVOCYPGSA-N 0 0 146.255 1.774 10 0 ADAERN CNC(=O)NCCC[C@@H]1C=CCC1 871625245 583353226 /nfs/dbraw/zinc/35/32/26/583353226.db2.gz SAUPENSKXDCXSR-SECBINFHSA-N 0 0 182.267 1.662 10 0 ADAERN C/C=C\C[S@@](=O)Cc1nocc1C 871607198 583353243 /nfs/dbraw/zinc/35/32/43/583353243.db2.gz ZUHNFUJPJQKFGV-DHCBQETCSA-N 0 0 199.275 1.808 10 0 ADAERN CO[C@H]1C[C@@H](CSc2nc[nH]n2)C1 871631715 583353279 /nfs/dbraw/zinc/35/32/79/583353279.db2.gz KFLJQSUSPGFWEX-KNVOCYPGSA-N 0 0 199.279 1.322 10 0 ADAERN CSCOC(=O)N1CCCC1 871650213 583353281 /nfs/dbraw/zinc/35/32/81/583353281.db2.gz SXXDJXBQZUYIHX-UHFFFAOYSA-N 0 0 175.253 1.539 10 0 ADAERN c1cn(C[C@@H]2CC3(CCC3)CO2)nn1 871671729 583353288 /nfs/dbraw/zinc/35/32/88/583353288.db2.gz RPUVLTZYCGLYRM-VIFPVBQESA-N 0 0 193.250 1.237 10 0 ADAERN c1cn(C[C@H]2CC3(CCC3)CO2)cn1 871664373 583353306 /nfs/dbraw/zinc/35/33/06/583353306.db2.gz VIMISFGXAURSTQ-SNVBAGLBSA-N 0 0 192.262 1.842 10 0 ADAERN c1cn(C[C@H]2CC3(CCC3)CO2)nn1 871671728 583353318 /nfs/dbraw/zinc/35/33/18/583353318.db2.gz RPUVLTZYCGLYRM-SECBINFHSA-N 0 0 193.250 1.237 10 0 ADAERN C/C=C/C[S@@](=O)Cc1nocc1C 871607199 583353328 /nfs/dbraw/zinc/35/33/28/583353328.db2.gz ZUHNFUJPJQKFGV-ITDFMYJTSA-N 0 0 199.275 1.808 10 0 ADAERN COCCSCc1nocc1C 871655347 583353336 /nfs/dbraw/zinc/35/33/36/583353336.db2.gz PLLSMYOFFNQSAO-UHFFFAOYSA-N 0 0 187.264 1.863 10 0 ADAERN NC(=O)NCCC[C@H]1C=CCC1 871625106 583353340 /nfs/dbraw/zinc/35/33/40/583353340.db2.gz OHVXBDOLVQMXJA-QMMMGPOBSA-N 0 0 168.240 1.401 10 0 ADAERN Cc1conc1C[S@@](=O)C1CCC1 871611194 583353342 /nfs/dbraw/zinc/35/33/42/583353342.db2.gz NWTAPWNGERDVAM-CYBMUJFWSA-N 0 0 199.275 1.784 10 0 ADAERN CO[C@H]1C[C@@H](CSCC(C)=O)C1 871654836 583353346 /nfs/dbraw/zinc/35/33/46/583353346.db2.gz FVCBHFATKDYXNM-DTORHVGOSA-N 0 0 188.292 1.734 10 0 ADAERN c1cn(C[C@@H]2CC3(CCC3)CO2)cn1 871664350 583353351 /nfs/dbraw/zinc/35/33/51/583353351.db2.gz VIMISFGXAURSTQ-JTQLQIEISA-N 0 0 192.262 1.842 10 0 ADAERN CO[C@H]1C[C@@H](Cn2nc(C)nc2C)C1 871648775 583353359 /nfs/dbraw/zinc/35/33/59/583353359.db2.gz HGJFXNSONTXXON-AOOOYVTPSA-N 0 0 195.266 1.320 10 0 ADAERN Cc1nc(C)n(Cc2nocc2C)n1 871648328 583353448 /nfs/dbraw/zinc/35/34/48/583353448.db2.gz BKBHZXITIJQIMN-UHFFFAOYSA-N 0 0 192.222 1.240 10 0 ADAERN CO[C@H]1C[C@@H](CSc2ncc[nH]2)C1 871655363 583353460 /nfs/dbraw/zinc/35/34/60/583353460.db2.gz WWYFMEGHSLGJRE-OCAPTIKFSA-N 0 0 198.291 1.927 10 0 ADAERN c1cnn(Cc2coc(C3CC3)n2)c1 871733983 583353699 /nfs/dbraw/zinc/35/36/99/583353699.db2.gz VJBRYXHBDSBOGQ-UHFFFAOYSA-N 0 0 189.218 1.797 10 0 ADAERN c1n[nH]nc1CCOCCCC1CC1 871752439 583353704 /nfs/dbraw/zinc/35/37/04/583353704.db2.gz IXJNLJCKIPWQSQ-UHFFFAOYSA-N 0 0 195.266 1.554 10 0 ADAERN C[C@H](Cn1c(=O)ccn1C)C(C)(C)C 871753380 583353749 /nfs/dbraw/zinc/35/37/49/583353749.db2.gz VCQKADYGUUEPDC-SECBINFHSA-N 0 0 196.294 1.869 10 0 ADAERN CO[C@H]1C[C@@H](Cn2cc(C)cn2)C1 871733440 583353924 /nfs/dbraw/zinc/35/39/24/583353924.db2.gz HRHFMINIPZYYKI-AOOOYVTPSA-N 0 0 180.251 1.617 10 0 ADAERN c1ncn(CC2CC3(CCC3)C2)n1 871732710 583354001 /nfs/dbraw/zinc/35/40/01/583354001.db2.gz NNAUYNDUMRMTFR-UHFFFAOYSA-N 0 0 177.251 1.858 10 0 ADAERN CC(=O)NOC1CC(CF)(CF)C1 871729529 583354007 /nfs/dbraw/zinc/35/40/07/583354007.db2.gz RXWBVOLIDQQRSC-UHFFFAOYSA-N 0 0 193.193 1.142 10 0 ADAERN c1ncn(Cc2coc(C3CC3)n2)n1 871732498 583354040 /nfs/dbraw/zinc/35/40/40/583354040.db2.gz FJFFWUWJNOFJNO-UHFFFAOYSA-N 0 0 190.206 1.192 10 0 ADAERN C[C@@H](Cn1c(=O)ccn1C)C(C)(C)C 871753381 583354088 /nfs/dbraw/zinc/35/40/88/583354088.db2.gz VCQKADYGUUEPDC-VIFPVBQESA-N 0 0 196.294 1.869 10 0 ADAERN CCc1ncn(Cc2nocc2C)n1 871752742 583354094 /nfs/dbraw/zinc/35/40/94/583354094.db2.gz HWYJNYAWALGPHT-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN c1cnn(OCC2CC3(CCC3)C2)c1 871751847 583354135 /nfs/dbraw/zinc/35/41/35/583354135.db2.gz AIRDHRXPJIAFMJ-UHFFFAOYSA-N 0 0 192.262 1.892 10 0 ADAERN CCSc1ncnc2c1ncn2C 871701397 583354147 /nfs/dbraw/zinc/35/41/47/583354147.db2.gz DBLSPUXSJGLLGR-UHFFFAOYSA-N 0 0 194.263 1.475 10 0 ADAERN CCc1ncn(C[C@H]2C[C@@H](OC)C2)n1 871752249 583354172 /nfs/dbraw/zinc/35/41/72/583354172.db2.gz BPCHAEZFDSKAAW-DTORHVGOSA-N 0 0 195.266 1.266 10 0 ADAERN CCCC(N)=NOCc1nocc1C 871732159 583354208 /nfs/dbraw/zinc/35/42/08/583354208.db2.gz SKLNFGSLAFZRND-UHFFFAOYSA-N 0 0 197.238 1.782 10 0 ADAERN Cn1ccc(=O)n1CCCC1CC1 871753689 583354261 /nfs/dbraw/zinc/35/42/61/583354261.db2.gz ZNUXISCJBVKQBA-UHFFFAOYSA-N 0 0 180.251 1.377 10 0 ADAERN Cc1cnn(Cc2nocc2C)c1 871733871 583354269 /nfs/dbraw/zinc/35/42/69/583354269.db2.gz QXNFNFGMYNKXQH-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN CC(C)CON=C(N)C1CCC1 871766032 583354272 /nfs/dbraw/zinc/35/42/72/583354272.db2.gz HCRYKOKLTGNIAE-UHFFFAOYSA-N 0 0 170.256 1.941 10 0 ADAERN CC(=O)NOCC1CC2(CCC2)C1 871729173 583354386 /nfs/dbraw/zinc/35/43/86/583354386.db2.gz DHYHZBVVIQGFMO-UHFFFAOYSA-N 0 0 183.251 1.634 10 0 ADAERN CO[C@H]1C[C@@H](COc2ccncc2)C1 871745133 583354412 /nfs/dbraw/zinc/35/44/12/583354412.db2.gz DOTCNSQYEQKLLJ-JGZJWPJOSA-N 0 0 193.246 1.885 10 0 ADAERN C[C@H]1C[C@@H]1CON=C(N)C1CCC1 871767093 583354599 /nfs/dbraw/zinc/35/45/99/583354599.db2.gz ILLFFKJUEGBHLG-IONNQARKSA-N 0 0 182.267 1.941 10 0 ADAERN C[C@@H]1OC(=O)N(C[C@H]2C[C@@H]2C)C1=O 871781507 583354646 /nfs/dbraw/zinc/35/46/46/583354646.db2.gz PVTGSYYDYOACKQ-LYFYHCNISA-N 0 0 183.207 1.010 10 0 ADAERN CC(C)ON=C(N)COC1CCC1 871776815 583354689 /nfs/dbraw/zinc/35/46/89/583354689.db2.gz YUIWKZIETPVWLX-UHFFFAOYSA-N 0 0 186.255 1.462 10 0 ADAERN NC(=NOCCC1(O)CC1)C1CCC1 871765943 583354727 /nfs/dbraw/zinc/35/47/27/583354727.db2.gz QRRKPNPOGXTDOR-UHFFFAOYSA-N 0 0 198.266 1.200 10 0 ADAERN C[C@H]1OC(=O)N(CC2CCCC2)C1=O 871779311 583354840 /nfs/dbraw/zinc/35/48/40/583354840.db2.gz AOOBIFZKCDDLFC-SSDOTTSWSA-N 0 0 197.234 1.544 10 0 ADAERN C[C@@H]1C[C@@H]1CON=C(N)C1CCC1 871767094 583354868 /nfs/dbraw/zinc/35/48/68/583354868.db2.gz ILLFFKJUEGBHLG-VXNVDRBHSA-N 0 0 182.267 1.941 10 0 ADAERN CCc1cnn(C[C@H]2C[C@@H](OC)C2)c1 871759315 583354933 /nfs/dbraw/zinc/35/49/33/583354933.db2.gz IHIVEUVHWSROMT-PHIMTYICSA-N 0 0 194.278 1.871 10 0 ADAERN CO[C@H]1C[C@@H](Cn2cc(C)nn2)C1 871755400 583354966 /nfs/dbraw/zinc/35/49/66/583354966.db2.gz BFFPEKRNHCRCHE-DTORHVGOSA-N 0 0 181.239 1.012 10 0 ADAERN C[C@@H]1C[C@H]1CON=C(N)C1CCC1 871767090 583354969 /nfs/dbraw/zinc/35/49/69/583354969.db2.gz ILLFFKJUEGBHLG-APPZFPTMSA-N 0 0 182.267 1.941 10 0 ADAERN C[C@H]1OC(=O)N(CCC2CC2)C1=O 871780972 583354971 /nfs/dbraw/zinc/35/49/71/583354971.db2.gz VJSNZVJCGYXFLN-ZCFIWIBFSA-N 0 0 183.207 1.154 10 0 ADAERN C[C@@H]1OC(=O)N(CC2CCCC2)C1=O 871779312 583354974 /nfs/dbraw/zinc/35/49/74/583354974.db2.gz AOOBIFZKCDDLFC-ZETCQYMHSA-N 0 0 197.234 1.544 10 0 ADAERN CCCON=C(N)C1CCC1 871765835 583354979 /nfs/dbraw/zinc/35/49/79/583354979.db2.gz CXADQRWQVSIACZ-UHFFFAOYSA-N 0 0 156.229 1.695 10 0 ADAERN C[C@@H]1OC(=O)N(C[C@@H]2C[C@H]2C)C1=O 871781508 583354988 /nfs/dbraw/zinc/35/49/88/583354988.db2.gz PVTGSYYDYOACKQ-VQVTYTSYSA-N 0 0 183.207 1.010 10 0 ADAERN CCC(CC)CN1C(=O)O[C@H](C)C1=O 871779054 583354995 /nfs/dbraw/zinc/35/49/95/583354995.db2.gz BKDMDIAUROTLEZ-SSDOTTSWSA-N 0 0 199.250 1.790 10 0 ADAERN CCCON=C(N)COC1CCC1 871774842 583355003 /nfs/dbraw/zinc/35/50/03/583355003.db2.gz HNBFXHQTAALZFO-UHFFFAOYSA-N 0 0 186.255 1.464 10 0 ADAERN CCc1cnn(Cc2nocc2C)c1 871759556 583355005 /nfs/dbraw/zinc/35/50/05/583355005.db2.gz OVDSQXWXNGCIQK-UHFFFAOYSA-N 0 0 191.234 1.790 10 0 ADAERN CCON=C(N)COC1CCC1 871774446 583355042 /nfs/dbraw/zinc/35/50/42/583355042.db2.gz CZYOGKIGTLKWMX-UHFFFAOYSA-N 0 0 172.228 1.074 10 0 ADAERN NC(COC1CCC1)=NOC1CCC1 871778742 583355053 /nfs/dbraw/zinc/35/50/53/583355053.db2.gz UZWIAILMCRKZRR-UHFFFAOYSA-N 0 0 198.266 1.606 10 0 ADAERN CO[C@H]1C[C@@H](COc2ccnnc2)C1 871754837 583355118 /nfs/dbraw/zinc/35/51/18/583355118.db2.gz RSMIBOJXQSJNDF-WAAGHKOSSA-N 0 0 194.234 1.280 10 0 ADAERN CC(C)=CCCN1C(=O)O[C@@H](C)C1=O 871779008 583355238 /nfs/dbraw/zinc/35/52/38/583355238.db2.gz AUKBAEBAWBDMMO-QMMMGPOBSA-N 0 0 197.234 1.710 10 0 ADAERN NC(COC1CCC1)=NOCC1CC1 871774775 583355255 /nfs/dbraw/zinc/35/52/55/583355255.db2.gz GNGMKSKPUCZSHP-UHFFFAOYSA-N 0 0 198.266 1.464 10 0 ADAERN CC(C)=CCCN1C(=O)O[C@H](C)C1=O 871779007 583355272 /nfs/dbraw/zinc/35/52/72/583355272.db2.gz AUKBAEBAWBDMMO-MRVPVSSYSA-N 0 0 197.234 1.710 10 0 ADAERN CO[C@H]1C[C@@H](Cn2cnc(C)n2)C1 871756160 583355291 /nfs/dbraw/zinc/35/52/91/583355291.db2.gz NHRXIHDCJGETCE-DTORHVGOSA-N 0 0 181.239 1.012 10 0 ADAERN NC(=NOCc1ccno1)C1CCC1 871765495 583355294 /nfs/dbraw/zinc/35/52/94/583355294.db2.gz XTHMNYCVCZGTBU-UHFFFAOYSA-N 0 0 195.222 1.473 10 0 ADAERN NC(=NOC1CCC1)C1CCC1 871765672 583355365 /nfs/dbraw/zinc/35/53/65/583355365.db2.gz HCCAEFYQRRAZMX-UHFFFAOYSA-N 0 0 168.240 1.837 10 0 ADAERN C[C@H]1C[C@H]1CON=C(N)C1CCC1 871767092 583355374 /nfs/dbraw/zinc/35/53/74/583355374.db2.gz ILLFFKJUEGBHLG-CBAPKCEASA-N 0 0 182.267 1.941 10 0 ADAERN C[C@@H]1OC(=O)N(CCC2CC2)C1=O 871780971 583355381 /nfs/dbraw/zinc/35/53/81/583355381.db2.gz VJSNZVJCGYXFLN-LURJTMIESA-N 0 0 183.207 1.154 10 0 ADAERN CCC(CC)CN1C(=O)O[C@@H](C)C1=O 871779055 583355437 /nfs/dbraw/zinc/35/54/37/583355437.db2.gz BKDMDIAUROTLEZ-ZETCQYMHSA-N 0 0 199.250 1.790 10 0 ADAERN CC/C=C\CCN1C(=O)O[C@H](C)C1=O 871781282 583355670 /nfs/dbraw/zinc/35/56/70/583355670.db2.gz XBAZFNXHRJVBIG-PULIVWKDSA-N 0 0 197.234 1.710 10 0 ADAERN CC(C)CCCN1C(=O)O[C@@H](C)C1=O 871781995 583355676 /nfs/dbraw/zinc/35/56/76/583355676.db2.gz VHQYYXTYKRABBL-QMMMGPOBSA-N 0 0 199.250 1.790 10 0 ADAERN C[C@@H]1OC(=O)N(C[C@H]2C[C@H]2C)C1=O 871781506 583355754 /nfs/dbraw/zinc/35/57/54/583355754.db2.gz PVTGSYYDYOACKQ-DSYKOEDSSA-N 0 0 183.207 1.010 10 0 ADAERN CCn1cc(-c2coc(C)c2)nn1 871886504 583355834 /nfs/dbraw/zinc/35/58/34/583355834.db2.gz NBADHBFFGZFKPL-UHFFFAOYSA-N 0 0 177.207 1.866 10 0 ADAERN C[C@@H]1OC(=O)N(CCC2CCC2)C1=O 871782108 583355845 /nfs/dbraw/zinc/35/58/45/583355845.db2.gz WNZQOEBNWAYQGN-ZETCQYMHSA-N 0 0 197.234 1.544 10 0 ADAERN CC(C)=CCN1C(=O)O[C@H](C)C1=O 871780480 583355853 /nfs/dbraw/zinc/35/58/53/583355853.db2.gz FMEYYZJVYGCPLJ-SSDOTTSWSA-N 0 0 183.207 1.320 10 0 ADAERN C[C@H]1OC(=O)N(CC2=CCCC2)C1=O 871781511 583355891 /nfs/dbraw/zinc/35/58/91/583355891.db2.gz QBCUDUQGNIBYNI-SSDOTTSWSA-N 0 0 195.218 1.464 10 0 ADAERN CCNc1ccn(CCF)n1 871861806 583355918 /nfs/dbraw/zinc/35/59/18/583355918.db2.gz SNYCBNQGLGSMKG-UHFFFAOYSA-N 0 0 157.192 1.284 10 0 ADAERN CC[C@H](C)CN1C(=O)O[C@H](C)C1=O 871780766 583355953 /nfs/dbraw/zinc/35/59/53/583355953.db2.gz TUVVUXSJMNOGRS-NKWVEPMBSA-N 0 0 185.223 1.400 10 0 ADAERN CCn1cc(-c2ccncc2C)nn1 871885261 583355961 /nfs/dbraw/zinc/35/59/61/583355961.db2.gz SUQUOALSDUKILW-UHFFFAOYSA-N 0 0 188.234 1.668 10 0 ADAERN C[C@@H]1OC(=O)N(CCCC2CC2)C1=O 871779807 583355994 /nfs/dbraw/zinc/35/59/94/583355994.db2.gz PTCUERQOXIFVPA-ZETCQYMHSA-N 0 0 197.234 1.544 10 0 ADAERN CC(C)CCCN1C(=O)O[C@H](C)C1=O 871781994 583356046 /nfs/dbraw/zinc/35/60/46/583356046.db2.gz VHQYYXTYKRABBL-MRVPVSSYSA-N 0 0 199.250 1.790 10 0 ADAERN C[C@@H]1OC(=O)N(CC2=CCCC2)C1=O 871781512 583356049 /nfs/dbraw/zinc/35/60/49/583356049.db2.gz QBCUDUQGNIBYNI-ZETCQYMHSA-N 0 0 195.218 1.464 10 0 ADAERN C[C@@H]1OC(=O)N(CC2(C)CCC2)C1=O 871780737 583356071 /nfs/dbraw/zinc/35/60/71/583356071.db2.gz HWSTZNKCXDEIMF-ZETCQYMHSA-N 0 0 197.234 1.544 10 0 ADAERN CCCCON=C(N)c1cncn1C 871782923 583356079 /nfs/dbraw/zinc/35/60/79/583356079.db2.gz COSRUHZBJCQLMA-UHFFFAOYSA-N 0 0 196.254 1.067 10 0 ADAERN C[C@H]1OC(=O)N(CC2(C)CCC2)C1=O 871780735 583356089 /nfs/dbraw/zinc/35/60/89/583356089.db2.gz HWSTZNKCXDEIMF-SSDOTTSWSA-N 0 0 197.234 1.544 10 0 ADAERN C[C@@H]1OC(=O)N(CCC(C)(C)C)C1=O 871780487 583356092 /nfs/dbraw/zinc/35/60/92/583356092.db2.gz FPHKEKVYTMLJMD-ZETCQYMHSA-N 0 0 199.250 1.790 10 0 ADAERN CCn1cc(-c2cncc(C)c2)nn1 871886462 583356101 /nfs/dbraw/zinc/35/61/01/583356101.db2.gz MFEKISPWEVNEFZ-UHFFFAOYSA-N 0 0 188.234 1.668 10 0 ADAERN C[C@H]1OC(=O)N(CCC(C)(C)C)C1=O 871780486 583356106 /nfs/dbraw/zinc/35/61/06/583356106.db2.gz FPHKEKVYTMLJMD-SSDOTTSWSA-N 0 0 199.250 1.790 10 0 ADAERN CC[C@@H](C)CN1C(=O)O[C@@H](C)C1=O 871780768 583356108 /nfs/dbraw/zinc/35/61/08/583356108.db2.gz TUVVUXSJMNOGRS-RQJHMYQMSA-N 0 0 185.223 1.400 10 0 ADAERN CC(C)CCN1C(=O)O[C@@H](C)C1=O 871782218 583356134 /nfs/dbraw/zinc/35/61/34/583356134.db2.gz XURXYWZIKDWCJY-ZETCQYMHSA-N 0 0 185.223 1.400 10 0 ADAERN CC(C)CCN1C(=O)O[C@H](C)C1=O 871782217 583356138 /nfs/dbraw/zinc/35/61/38/583356138.db2.gz XURXYWZIKDWCJY-SSDOTTSWSA-N 0 0 185.223 1.400 10 0 ADAERN CC[C@H](C)CN1C(=O)O[C@@H](C)C1=O 871780765 583356147 /nfs/dbraw/zinc/35/61/47/583356147.db2.gz TUVVUXSJMNOGRS-BQBZGAKWSA-N 0 0 185.223 1.400 10 0 ADAERN CC/C=C/CCN1C(=O)O[C@H](C)C1=O 871781283 583356164 /nfs/dbraw/zinc/35/61/64/583356164.db2.gz XBAZFNXHRJVBIG-WTSVBCDHSA-N 0 0 197.234 1.710 10 0 ADAERN CC[C@@H](C)CN1C(=O)O[C@H](C)C1=O 871780767 583356168 /nfs/dbraw/zinc/35/61/68/583356168.db2.gz TUVVUXSJMNOGRS-RNFRBKRXSA-N 0 0 185.223 1.400 10 0 ADAERN C[C@@H]1OC(=O)N(CC2CC=CC2)C1=O 871781551 583356245 /nfs/dbraw/zinc/35/62/45/583356245.db2.gz QNKNXIYGCOTRMY-ZETCQYMHSA-N 0 0 195.218 1.320 10 0 ADAERN CNc1cc(C)cc(S(C)(=O)=O)c1 871864025 583356269 /nfs/dbraw/zinc/35/62/69/583356269.db2.gz OMMBECKREJMRQB-UHFFFAOYSA-N 0 0 199.275 1.440 10 0 ADAERN CCCCN1C(=O)O[C@@H](C)C1=O 871782229 583356271 /nfs/dbraw/zinc/35/62/71/583356271.db2.gz YAGDJIYVUFHXKT-LURJTMIESA-N 0 0 171.196 1.154 10 0 ADAERN CCn1cc(-c2ccnc(C)c2)nn1 871884951 583356274 /nfs/dbraw/zinc/35/62/74/583356274.db2.gz BNYNMSVQLIRFIM-UHFFFAOYSA-N 0 0 188.234 1.668 10 0 ADAERN CC(C)=CCN1C(=O)O[C@@H](C)C1=O 871780481 583356279 /nfs/dbraw/zinc/35/62/79/583356279.db2.gz FMEYYZJVYGCPLJ-ZETCQYMHSA-N 0 0 183.207 1.320 10 0 ADAERN CCn1cc(-c2cc(C)co2)nn1 871886239 583356319 /nfs/dbraw/zinc/35/63/19/583356319.db2.gz FNGAYMGUEJBGGB-UHFFFAOYSA-N 0 0 177.207 1.866 10 0 ADAERN CC/C=C/CCN1C(=O)O[C@@H](C)C1=O 871781284 583356353 /nfs/dbraw/zinc/35/63/53/583356353.db2.gz XBAZFNXHRJVBIG-ZJELKQJVSA-N 0 0 197.234 1.710 10 0 ADAERN C[C@H]1OC(=O)N(CCCC2CC2)C1=O 871779806 583356363 /nfs/dbraw/zinc/35/63/63/583356363.db2.gz PTCUERQOXIFVPA-SSDOTTSWSA-N 0 0 197.234 1.544 10 0 ADAERN C[C@@H]1OC(=O)N(C[C@@H]2C[C@@H]2C)C1=O 871781505 583356375 /nfs/dbraw/zinc/35/63/75/583356375.db2.gz PVTGSYYDYOACKQ-ACZMJKKPSA-N 0 0 183.207 1.010 10 0 ADAERN CCCCN1C(=O)O[C@H](C)C1=O 871782230 583356379 /nfs/dbraw/zinc/35/63/79/583356379.db2.gz YAGDJIYVUFHXKT-ZCFIWIBFSA-N 0 0 171.196 1.154 10 0 ADAERN CC(C)Nc1ccn(CCF)n1 871862265 583356381 /nfs/dbraw/zinc/35/63/81/583356381.db2.gz YWQFMIDXUAPDDG-UHFFFAOYSA-N 0 0 171.219 1.673 10 0 ADAERN C[C@H]1OC(=O)N(CC2CC=CC2)C1=O 871781549 583356398 /nfs/dbraw/zinc/35/63/98/583356398.db2.gz QNKNXIYGCOTRMY-SSDOTTSWSA-N 0 0 195.218 1.320 10 0 ADAERN C[C@H]1OC(=O)N(CCC2CCC2)C1=O 871782106 583356403 /nfs/dbraw/zinc/35/64/03/583356403.db2.gz WNZQOEBNWAYQGN-SSDOTTSWSA-N 0 0 197.234 1.544 10 0 ADAERN CC/C=C\CCN1C(=O)O[C@@H](C)C1=O 871781281 583356406 /nfs/dbraw/zinc/35/64/06/583356406.db2.gz 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/nfs/dbraw/zinc/38/17/06/583381706.db2.gz BUKSDWPRKLZFEC-VIFPVBQESA-N 0 0 199.294 1.548 10 0 ADAERN CON(C)C(=O)c1cc(C)cc(F)c1 125146927 583382074 /nfs/dbraw/zinc/38/20/74/583382074.db2.gz BSIYWBPYDYHMAR-UHFFFAOYSA-N 0 0 197.209 1.768 10 0 ADAERN C/C=C/C(=O)N(C)C1(COC)CCC1 874935275 583383779 /nfs/dbraw/zinc/38/37/79/583383779.db2.gz BRNCMRHJUMAHBC-GQCTYLIASA-N 0 0 197.278 1.590 10 0 ADAERN Cc1ccc(C=O)c(-n2cccn2)c1 20441238 583382201 /nfs/dbraw/zinc/38/22/01/583382201.db2.gz VOXCFBLRLITUKY-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN O=C(OC1CCC1)C1CC1 20975217 583383333 /nfs/dbraw/zinc/38/33/33/583383333.db2.gz XVTBSQZEROBKLM-UHFFFAOYSA-N 0 0 140.182 1.492 10 0 ADAERN C/C=C/C(=O)Nc1cnn(CC)c1C 874820505 583383387 /nfs/dbraw/zinc/38/33/87/583383387.db2.gz BCPDZIFPLCKRLV-GQCTYLIASA-N 0 0 193.250 1.726 10 0 ADAERN CNC(=S)NC[C@@H](C)C(C)C 125371291 583383530 /nfs/dbraw/zinc/38/35/30/583383530.db2.gz BHFUMSLRSIDIDD-SSDOTTSWSA-N 0 0 174.313 1.372 10 0 ADAERN COC(=O)NC[C@H](C)C(C)C 125381202 583383848 /nfs/dbraw/zinc/38/38/48/583383848.db2.gz OFPWUINVUIPVQH-ZETCQYMHSA-N 0 0 159.229 1.635 10 0 ADAERN CCNC(=S)NC[C@@H](C)C(C)C 125370161 583384100 /nfs/dbraw/zinc/38/41/00/583384100.db2.gz UPUCJECUXFKEFO-MRVPVSSYSA-N 0 0 188.340 1.763 10 0 ADAERN Cc1cc(NCc2ccoc2)nn1C 125425610 583384143 /nfs/dbraw/zinc/38/41/43/583384143.db2.gz YCZPKWXZFDQPQV-UHFFFAOYSA-N 0 0 191.234 1.934 10 0 ADAERN CNC(=S)NC[C@H](C)C(C)C 125371109 583384149 /nfs/dbraw/zinc/38/41/49/583384149.db2.gz BHFUMSLRSIDIDD-ZETCQYMHSA-N 0 0 174.313 1.372 10 0 ADAERN C/C=C\C(=O)Nc1cnn(CC)c1C 874820506 583384160 /nfs/dbraw/zinc/38/41/60/583384160.db2.gz BCPDZIFPLCKRLV-XQRVVYSFSA-N 0 0 193.250 1.726 10 0 ADAERN C/C=C\C(=O)N(C)C1(COC)CCC1 874935276 583384189 /nfs/dbraw/zinc/38/41/89/583384189.db2.gz BRNCMRHJUMAHBC-XQRVVYSFSA-N 0 0 197.278 1.590 10 0 ADAERN CN(C#N)C(=O)[C@@H]1C[C@H]1C(C)(C)C 875587052 583384849 /nfs/dbraw/zinc/38/48/49/583384849.db2.gz DWRTVUNFNFNKJA-HTQZYQBOSA-N 0 0 180.251 1.608 10 0 ADAERN CCONC(=O)c1ccc(COC)o1 875679135 583384935 /nfs/dbraw/zinc/38/49/35/583384935.db2.gz JJQICYAHJNGHQS-UHFFFAOYSA-N 0 0 199.206 1.107 10 0 ADAERN CN(C#N)C(=O)[C@@H]1C[C@H]1c1ccco1 875587419 583385105 /nfs/dbraw/zinc/38/51/05/583385105.db2.gz NAKNYHXFMRAMGI-HTQZYQBOSA-N 0 0 190.202 1.323 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)OC1CC1 21084321 583385293 /nfs/dbraw/zinc/38/52/93/583385293.db2.gz BIIZSBZEQPIDTN-IYSWYEEDSA-N 0 0 140.182 1.348 10 0 ADAERN C[C@H]1C[C@H]1C(=O)OC1CC1 21084324 583385386 /nfs/dbraw/zinc/38/53/86/583385386.db2.gz BIIZSBZEQPIDTN-CAHLUQPWSA-N 0 0 140.182 1.348 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1cccc(F)n1 125646272 583385771 /nfs/dbraw/zinc/38/57/71/583385771.db2.gz MXPRLZHLESNUGB-HTQZYQBOSA-N 0 0 198.241 1.650 10 0 ADAERN C[C@@H](O)C(=O)N[C@H]1CCCC2(CC2)C1 888696987 583385946 /nfs/dbraw/zinc/38/59/46/583385946.db2.gz ZIZMTDRAHDMGLN-BDAKNGLRSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1cccc(F)n1 125646715 583386074 /nfs/dbraw/zinc/38/60/74/583386074.db2.gz MXPRLZHLESNUGB-SFYZADRCSA-N 0 0 198.241 1.650 10 0 ADAERN C[C@@H](O)C(=O)N[C@@H]1CCCC2(CC2)C1 888696990 583386106 /nfs/dbraw/zinc/38/61/06/583386106.db2.gz ZIZMTDRAHDMGLN-RKDXNWHRSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@H](O)C(=O)N[C@@H]1CCCC2(CC2)C1 888696988 583386147 /nfs/dbraw/zinc/38/61/47/583386147.db2.gz ZIZMTDRAHDMGLN-DTWKUNHWSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@H](O)C(=O)N[C@H]1CCCC2(CC2)C1 888696989 583386173 /nfs/dbraw/zinc/38/61/73/583386173.db2.gz ZIZMTDRAHDMGLN-IUCAKERBSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@H](Nc1cccc(F)n1)[C@@H](C)CO 125646493 583386195 /nfs/dbraw/zinc/38/61/95/583386195.db2.gz MXPRLZHLESNUGB-YUMQZZPRSA-N 0 0 198.241 1.650 10 0 ADAERN COc1cnc(F)c(NC(C)=O)c1 876024720 583386214 /nfs/dbraw/zinc/38/62/14/583386214.db2.gz JJOSTECKMSWVJX-UHFFFAOYSA-N 0 0 184.170 1.188 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1cccc(F)n1 125646075 583386318 /nfs/dbraw/zinc/38/63/18/583386318.db2.gz MXPRLZHLESNUGB-JGVFFNPUSA-N 0 0 198.241 1.650 10 0 ADAERN CCCN(C)Cc1cn(CCC)nn1 876563234 583387071 /nfs/dbraw/zinc/38/70/71/583387071.db2.gz AITWCTFJFBDHKX-UHFFFAOYSA-N 0 0 196.298 1.530 10 0 ADAERN C=C/C=C/CCn1cc(C)nn1 877885383 583399061 /nfs/dbraw/zinc/39/90/61/583399061.db2.gz GBEGSADJBHCRCW-SNAWJCMRSA-N 0 0 163.224 1.719 10 0 ADAERN C[C@H](NC(CF)CF)[C@H]1CCCO1 877555913 583395092 /nfs/dbraw/zinc/39/50/92/583395092.db2.gz GRRUXBYLIWKFPJ-IONNQARKSA-N 0 0 193.237 1.451 10 0 ADAERN CO[C@H](C)[C@H](C)NC(CF)CF 877558816 583395100 /nfs/dbraw/zinc/39/51/00/583395100.db2.gz FARKGGPIAYPPGB-NKWVEPMBSA-N 0 0 181.226 1.307 10 0 ADAERN CO[C@@H](C)[C@@H](C)NC(CF)CF 877558818 583395112 /nfs/dbraw/zinc/39/51/12/583395112.db2.gz FARKGGPIAYPPGB-RQJHMYQMSA-N 0 0 181.226 1.307 10 0 ADAERN c1cc(CN2CC3(CC3)C2)sn1 877556514 583395153 /nfs/dbraw/zinc/39/51/53/583395153.db2.gz UHIPURZMOGVSPQ-UHFFFAOYSA-N 0 0 180.276 1.739 10 0 ADAERN CC[C@@](C)(CNC(CF)CF)OC 877555841 583395175 /nfs/dbraw/zinc/39/51/75/583395175.db2.gz DLZKLKDLWNTUMF-VIFPVBQESA-N 0 0 195.253 1.699 10 0 ADAERN CC[C@](C)(CNC(CF)CF)OC 877555840 583395192 /nfs/dbraw/zinc/39/51/92/583395192.db2.gz DLZKLKDLWNTUMF-SECBINFHSA-N 0 0 195.253 1.699 10 0 ADAERN C[C@@H](NC(CF)CF)[C@@H]1CCCO1 877555911 583395325 /nfs/dbraw/zinc/39/53/25/583395325.db2.gz GRRUXBYLIWKFPJ-APPZFPTMSA-N 0 0 193.237 1.451 10 0 ADAERN CO[C@H](C)[C@@H](C)NC(CF)CF 877558817 583395354 /nfs/dbraw/zinc/39/53/54/583395354.db2.gz FARKGGPIAYPPGB-RNFRBKRXSA-N 0 0 181.226 1.307 10 0 ADAERN CCc1csc(NC2(CO)CC2)n1 126585551 583395384 /nfs/dbraw/zinc/39/53/84/583395384.db2.gz PSHXDYOMIZXWPP-UHFFFAOYSA-N 0 0 198.291 1.642 10 0 ADAERN CO[C@@H](C)[C@H](C)NC(CF)CF 877558810 583395460 /nfs/dbraw/zinc/39/54/60/583395460.db2.gz FARKGGPIAYPPGB-BQBZGAKWSA-N 0 0 181.226 1.307 10 0 ADAERN C[C@H](NC(CF)CF)[C@@H]1CCCO1 877555912 583395500 /nfs/dbraw/zinc/39/55/00/583395500.db2.gz GRRUXBYLIWKFPJ-CBAPKCEASA-N 0 0 193.237 1.451 10 0 ADAERN C[C@@H](NC(CF)CF)[C@@H]1CC1(F)F 877556478 583395523 /nfs/dbraw/zinc/39/55/23/583395523.db2.gz SFVQTOXSFXYSOV-VDTYLAMSSA-N 0 0 199.191 1.927 10 0 ADAERN C[C@H](NC(CF)CF)[C@@H]1CC1(F)F 877556476 583395660 /nfs/dbraw/zinc/39/56/60/583395660.db2.gz SFVQTOXSFXYSOV-FSPLSTOPSA-N 0 0 199.191 1.927 10 0 ADAERN C[C@@H](NC(CF)CF)[C@H]1CCCO1 877555914 583395792 /nfs/dbraw/zinc/39/57/92/583395792.db2.gz GRRUXBYLIWKFPJ-VXNVDRBHSA-N 0 0 193.237 1.451 10 0 ADAERN C[C@H](NC(CF)CF)[C@H]1CC1(F)F 877556475 583395799 /nfs/dbraw/zinc/39/57/99/583395799.db2.gz SFVQTOXSFXYSOV-CAHLUQPWSA-N 0 0 199.191 1.927 10 0 ADAERN C[C@@H](NC(CF)CF)[C@H]1CC1(F)F 877556477 583395830 /nfs/dbraw/zinc/39/58/30/583395830.db2.gz SFVQTOXSFXYSOV-IYSWYEEDSA-N 0 0 199.191 1.927 10 0 ADAERN CC1(C)CN(Cc2cncnc2)C1 877717671 583397342 /nfs/dbraw/zinc/39/73/42/583397342.db2.gz OXJSGHMCZOGEPS-UHFFFAOYSA-N 0 0 177.251 1.318 10 0 ADAERN COC[C@@H](Cn1cnc(C)n1)C(C)C 877885960 583397821 /nfs/dbraw/zinc/39/78/21/583397821.db2.gz VCMMEZKEYILHCZ-SNVBAGLBSA-N 0 0 197.282 1.505 10 0 ADAERN C=C/C=C\CCOCCc1cn[nH]n1 877882878 583397880 /nfs/dbraw/zinc/39/78/80/583397880.db2.gz DMIBXBVLZAQJAL-ARJAWSKDSA-N 0 0 193.250 1.496 10 0 ADAERN C=C/C=C/CCOCCc1cn[nH]n1 877882879 583397892 /nfs/dbraw/zinc/39/78/92/583397892.db2.gz DMIBXBVLZAQJAL-ONEGZZNKSA-N 0 0 193.250 1.496 10 0 ADAERN COC[C@H](Cn1cnc(C)n1)C(C)C 877885959 583397918 /nfs/dbraw/zinc/39/79/18/583397918.db2.gz VCMMEZKEYILHCZ-JTQLQIEISA-N 0 0 197.282 1.505 10 0 ADAERN Cc1ccc(OCCOC2CC2)cn1 877876769 583398106 /nfs/dbraw/zinc/39/81/06/583398106.db2.gz BXYAZDOWQOINDU-UHFFFAOYSA-N 0 0 193.246 1.948 10 0 ADAERN Cc1cnn(CCc2ccns2)c1 877877617 583398138 /nfs/dbraw/zinc/39/81/38/583398138.db2.gz AMNGJRKFLKVOKS-UHFFFAOYSA-N 0 0 193.275 1.891 10 0 ADAERN C=C/C=C/CCn1nnnc1C 877878835 583398162 /nfs/dbraw/zinc/39/81/62/583398162.db2.gz FUPYHIXLTIHXPG-SNAWJCMRSA-N 0 0 164.212 1.114 10 0 ADAERN C=C/C=C\CCn1nnnc1C 877878827 583398304 /nfs/dbraw/zinc/39/83/04/583398304.db2.gz FUPYHIXLTIHXPG-PLNGDYQASA-N 0 0 164.212 1.114 10 0 ADAERN C=C/C=C/CCn1cnc(CC)n1 877883561 583398591 /nfs/dbraw/zinc/39/85/91/583398591.db2.gz FVWOZIVIYAFNMN-AATRIKPKSA-N 0 0 177.251 1.973 10 0 ADAERN C=C/C=C/CCN1C(=O)O[C@H](C)C1=O 877886742 583398630 /nfs/dbraw/zinc/39/86/30/583398630.db2.gz BSWCWUKWAPUBLZ-WTSVBCDHSA-N 0 0 195.218 1.486 10 0 ADAERN Cc1ncn(CCc2ccns2)n1 877885969 583398665 /nfs/dbraw/zinc/39/86/65/583398665.db2.gz VKQXNOYZYGPQHU-UHFFFAOYSA-N 0 0 194.263 1.286 10 0 ADAERN COC[C@@H](COn1cccn1)C(C)C 877883378 583398669 /nfs/dbraw/zinc/39/86/69/583398669.db2.gz NVOVELTUNXVVOV-JTQLQIEISA-N 0 0 198.266 1.230 10 0 ADAERN COC[C@@H](Cn1cc(C)nn1)C(C)C 877885353 583398679 /nfs/dbraw/zinc/39/86/79/583398679.db2.gz FBMNJHLTHDSRIT-SNVBAGLBSA-N 0 0 197.282 1.505 10 0 ADAERN C=C/C=C\CCn1c(=O)ccn1C 877882890 583398692 /nfs/dbraw/zinc/39/86/92/583398692.db2.gz FAGSDLJPTRLJGG-PLNGDYQASA-N 0 0 178.235 1.319 10 0 ADAERN C=C/C=C\CCn1cnc(CC)n1 877883562 583398749 /nfs/dbraw/zinc/39/87/49/583398749.db2.gz FVWOZIVIYAFNMN-WAYWQWQTSA-N 0 0 177.251 1.973 10 0 ADAERN Cc1c[nH]nc1COCCOC1CC1 877885023 583398850 /nfs/dbraw/zinc/39/88/50/583398850.db2.gz MRVYQQNGPBLTHX-UHFFFAOYSA-N 0 0 196.250 1.414 10 0 ADAERN Cc1cn(CCc2ccns2)nn1 877885904 583398862 /nfs/dbraw/zinc/39/88/62/583398862.db2.gz STHWTBGHIDLNJP-UHFFFAOYSA-N 0 0 194.263 1.286 10 0 ADAERN c1nn(CCOC2CC2)cc1C1CC1 877884942 583398864 /nfs/dbraw/zinc/39/88/64/583398864.db2.gz JHYKHPIQGZIDNI-UHFFFAOYSA-N 0 0 192.262 1.940 10 0 ADAERN CSCc1cc(C)nnc1C 877887435 583398893 /nfs/dbraw/zinc/39/88/93/583398893.db2.gz MGVZSYDTLCPFEU-UHFFFAOYSA-N 0 0 168.265 1.956 10 0 ADAERN C=C/C=C/CCn1c(=O)ccn1C 877882891 583398926 /nfs/dbraw/zinc/39/89/26/583398926.db2.gz FAGSDLJPTRLJGG-SNAWJCMRSA-N 0 0 178.235 1.319 10 0 ADAERN C=C/C=C\CCN1C(=O)O[C@H](C)C1=O 877886741 583398939 /nfs/dbraw/zinc/39/89/39/583398939.db2.gz BSWCWUKWAPUBLZ-PULIVWKDSA-N 0 0 195.218 1.486 10 0 ADAERN COC[C@H](COn1cccn1)C(C)C 877883380 583399035 /nfs/dbraw/zinc/39/90/35/583399035.db2.gz NVOVELTUNXVVOV-SNVBAGLBSA-N 0 0 198.266 1.230 10 0 ADAERN C=C/C=C/CCn1cnc(C)n1 877885385 583399074 /nfs/dbraw/zinc/39/90/74/583399074.db2.gz GCDZBGUTJJWIHX-SNAWJCMRSA-N 0 0 163.224 1.719 10 0 ADAERN c1cc(OCCOC2CC2)cnn1 877883989 583399094 /nfs/dbraw/zinc/39/90/94/583399094.db2.gz XDAMIKSBTWASKM-UHFFFAOYSA-N 0 0 180.207 1.034 10 0 ADAERN C=C/C=C\CCn1nc(C)sc1=O 877888557 583399116 /nfs/dbraw/zinc/39/91/16/583399116.db2.gz BHNPBXXQJDAYQQ-PLNGDYQASA-N 0 0 196.275 1.746 10 0 ADAERN COC[C@H](Cn1cc(C)nn1)C(C)C 877885352 583399178 /nfs/dbraw/zinc/39/91/78/583399178.db2.gz FBMNJHLTHDSRIT-JTQLQIEISA-N 0 0 197.282 1.505 10 0 ADAERN C=C/C=C\CCn1cnc(C)n1 877885384 583399206 /nfs/dbraw/zinc/39/92/06/583399206.db2.gz GCDZBGUTJJWIHX-PLNGDYQASA-N 0 0 163.224 1.719 10 0 ADAERN C=C/C=C/CCn1nc(C)sc1=O 877888558 583399222 /nfs/dbraw/zinc/39/92/22/583399222.db2.gz BHNPBXXQJDAYQQ-SNAWJCMRSA-N 0 0 196.275 1.746 10 0 ADAERN C=C/C=C\CCN1C(=O)O[C@@H](C)C1=O 877886740 583399234 /nfs/dbraw/zinc/39/92/34/583399234.db2.gz BSWCWUKWAPUBLZ-LGYSABEFSA-N 0 0 195.218 1.486 10 0 ADAERN c1cnn(OCCc2ccns2)c1 877883391 583399236 /nfs/dbraw/zinc/39/92/36/583399236.db2.gz OEEOFWRQLJIULL-UHFFFAOYSA-N 0 0 195.247 1.011 10 0 ADAERN C=C/C=C\CCn1cc(C)nn1 877885382 583399272 /nfs/dbraw/zinc/39/92/72/583399272.db2.gz GBEGSADJBHCRCW-PLNGDYQASA-N 0 0 163.224 1.719 10 0 ADAERN C=C/C=C/CCN1C(=O)O[C@@H](C)C1=O 877886743 583399289 /nfs/dbraw/zinc/39/92/89/583399289.db2.gz BSWCWUKWAPUBLZ-ZJELKQJVSA-N 0 0 195.218 1.486 10 0 ADAERN C[C@H]1CCCN(C(=O)COC2CC2)C1 877927002 583399639 /nfs/dbraw/zinc/39/96/39/583399639.db2.gz JXEQPEYWQLFUJR-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 877951082 583400644 /nfs/dbraw/zinc/40/06/44/583400644.db2.gz QDFNWRKUXPJIBW-CMPLNLGQSA-N 0 0 189.258 1.710 10 0 ADAERN CCNC(=O)c1cc(C)cnc1Cl 877950565 583400650 /nfs/dbraw/zinc/40/06/50/583400650.db2.gz BVLMZTJFQHKVQH-UHFFFAOYSA-N 0 0 198.653 1.793 10 0 ADAERN CNC(=O)c1cnc(C(C)C)nc1C 877950368 583400656 /nfs/dbraw/zinc/40/06/56/583400656.db2.gz FHDIAUBBRHGRHR-UHFFFAOYSA-N 0 0 193.250 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ADAERN COC(=O)NCC1(CC2CC2)CC1 882572426 583453634 /nfs/dbraw/zinc/45/36/34/583453634.db2.gz LHWGIXHFHUIPHA-UHFFFAOYSA-N 0 0 183.251 1.923 10 0 ADAERN CNC(=O)NCC1(CC2CC2)CC1 882569517 583453741 /nfs/dbraw/zinc/45/37/41/583453741.db2.gz IWLJUVHWJOEZGR-UHFFFAOYSA-N 0 0 182.267 1.496 10 0 ADAERN CN(C)C(=O)NCC1(CC2CC2)CC1 882571012 583453808 /nfs/dbraw/zinc/45/38/08/583453808.db2.gz BPYOTPFCISFCEM-UHFFFAOYSA-N 0 0 196.294 1.838 10 0 ADAERN CCNC(=O)NCC1(CC2CC2)CC1 882572931 583453983 /nfs/dbraw/zinc/45/39/83/583453983.db2.gz ZWEJPCKEDPAYMD-UHFFFAOYSA-N 0 0 196.294 1.886 10 0 ADAERN C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 129845351 583454479 /nfs/dbraw/zinc/45/44/79/583454479.db2.gz OZHHLBKKTXKACS-IVZWLZJFSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ncnc(N[C@H]2C[C@H](O)C2)c1C 882639859 583454552 /nfs/dbraw/zinc/45/45/52/583454552.db2.gz QURCTZKVWYCFLA-KYZUINATSA-N 0 0 193.250 1.029 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 129844855 583454885 /nfs/dbraw/zinc/45/48/85/583454885.db2.gz OZHHLBKKTXKACS-LPEHRKFASA-N 0 0 197.278 1.470 10 0 ADAERN CNC(=O)NCC(C)(C)CC(F)F 882579078 583454985 /nfs/dbraw/zinc/45/49/85/583454985.db2.gz ZNKLUHPSUYVJJS-UHFFFAOYSA-N 0 0 194.225 1.597 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 129849034 583454991 /nfs/dbraw/zinc/45/49/91/583454991.db2.gz OZHHLBKKTXKACS-GUBZILKMSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ncnc(SCCCO)c1C 882678180 583455003 /nfs/dbraw/zinc/45/50/03/583455003.db2.gz LVFXMGWVSWNYET-UHFFFAOYSA-N 0 0 198.291 1.568 10 0 ADAERN Cc1ncnc(NC2CSC2)c1C 882625750 583455017 /nfs/dbraw/zinc/45/50/17/583455017.db2.gz NABZOPYBVZZAOX-UHFFFAOYSA-N 0 0 195.291 1.621 10 0 ADAERN C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 129849429 583455029 /nfs/dbraw/zinc/45/50/29/583455029.db2.gz OZHHLBKKTXKACS-AEJSXWLSSA-N 0 0 197.278 1.470 10 0 ADAERN CC(=O)N[C@@H]1CCC[C@]12CCCO2 882615625 583455046 /nfs/dbraw/zinc/45/50/46/583455046.db2.gz WBRSIBKPWGSLRQ-ZJUUUORDSA-N 0 0 183.251 1.224 10 0 ADAERN CC[C@@H](O)CNc1ncnc(C)c1C 882618441 583455073 /nfs/dbraw/zinc/45/50/73/583455073.db2.gz QRHWDEXPSBAVTD-SECBINFHSA-N 0 0 195.266 1.276 10 0 ADAERN CCC(=O)N[C@@H]1CCC[C@]12CCCO2 882613814 583455125 /nfs/dbraw/zinc/45/51/25/583455125.db2.gz IEYYZLBIEJALCA-KOLCDFICSA-N 0 0 197.278 1.614 10 0 ADAERN CCc1c(N)n[nH]c1-c1ncccn1 130047984 583455615 /nfs/dbraw/zinc/45/56/15/583455615.db2.gz JQUBJHQYIWAEIE-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN CCOC(=O)/C=C(/C)C(F)F 212786356 583456169 /nfs/dbraw/zinc/45/61/69/583456169.db2.gz SEXJBDFDPSUHHP-PLNGDYQASA-N 0 0 164.151 1.761 10 0 ADAERN CC(C)C[C@H]1C[NH2+]CC[C@@H]1C(=O)[O-] 213206388 583456655 /nfs/dbraw/zinc/45/66/55/583456655.db2.gz DWATVZSLLFVYEK-IUCAKERBSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)C[C@@H]1C[NH2+]CC[C@@H]1C(=O)[O-] 213206330 583456848 /nfs/dbraw/zinc/45/68/48/583456848.db2.gz DWATVZSLLFVYEK-BDAKNGLRSA-N 0 0 185.267 1.343 10 0 ADAERN C[N@@H+]1CCC/C(=C/C(=O)[O-])CC1 213366996 583456992 /nfs/dbraw/zinc/45/69/92/583456992.db2.gz DGRCPQLJDCEBSA-FPLPWBNLSA-N 0 0 169.224 1.113 10 0 ADAERN CC(C)C[C@H]1C[NH2+]CC[C@H]1C(=O)[O-] 213206501 583457610 /nfs/dbraw/zinc/45/76/10/583457610.db2.gz DWATVZSLLFVYEK-DTWKUNHWSA-N 0 0 185.267 1.343 10 0 ADAERN OCCSCc1cnc(C2CC2)o1 882952405 583458124 /nfs/dbraw/zinc/45/81/24/583458124.db2.gz SSGKIDAWJUKJDT-UHFFFAOYSA-N 0 0 199.275 1.778 10 0 ADAERN COc1cc(NC(=O)C(C)C)n(C)n1 882934031 583458395 /nfs/dbraw/zinc/45/83/95/583458395.db2.gz WEMBTYXLVZMJFW-UHFFFAOYSA-N 0 0 197.238 1.023 10 0 ADAERN CCCC(=O)Nc1cc(OC)nn1C 882933543 583458440 /nfs/dbraw/zinc/45/84/40/583458440.db2.gz IIDARSXIJNSOJB-UHFFFAOYSA-N 0 0 197.238 1.167 10 0 ADAERN FCCNCc1ccoc1 130652387 583459571 /nfs/dbraw/zinc/45/95/71/583459571.db2.gz LFWPTXZYDYJDFW-UHFFFAOYSA-N 0 0 143.161 1.339 10 0 ADAERN CC[C@H](C)Nc1ncc(C=O)cn1 26505638 583460798 /nfs/dbraw/zinc/46/07/98/583460798.db2.gz WWJUBALWNRRBNV-ZETCQYMHSA-N 0 0 179.223 1.500 10 0 ADAERN COc1cnn(CCOC(F)F)c1 883016480 583460823 /nfs/dbraw/zinc/46/08/23/583460823.db2.gz AHNXVASKUSPMBL-UHFFFAOYSA-N 0 0 192.165 1.131 10 0 ADAERN CC[C@@H](C)Nc1ncc(C=O)cn1 26505633 583461244 /nfs/dbraw/zinc/46/12/44/583461244.db2.gz WWJUBALWNRRBNV-SSDOTTSWSA-N 0 0 179.223 1.500 10 0 ADAERN COC(=O)N1CCCC[C@H]1C(C)=O 214042512 583461834 /nfs/dbraw/zinc/46/18/34/583461834.db2.gz XVFPQSSDSDAPGW-QMMMGPOBSA-N 0 0 185.223 1.196 10 0 ADAERN O=C(NC1CC=CC1)N1CCCCC1 131090336 583462138 /nfs/dbraw/zinc/46/21/38/583462138.db2.gz HYPJLBJSKYNVQP-UHFFFAOYSA-N 0 0 194.278 1.901 10 0 ADAERN CCCCCN1C(=O)[C@H]2CC[C@H]2C1=O 883065250 583462248 /nfs/dbraw/zinc/46/22/48/583462248.db2.gz FQBQSOHVXAECSL-DTORHVGOSA-N 0 0 195.262 1.572 10 0 ADAERN O=C1[C@H]2CC[C@H]2C(=O)N1CCCCF 883065900 583462470 /nfs/dbraw/zinc/46/24/70/583462470.db2.gz ANRFGQAKNTVQGW-OCAPTIKFSA-N 0 0 199.225 1.131 10 0 ADAERN Cc1nccnc1NC1CC1 214400298 583463077 /nfs/dbraw/zinc/46/30/77/583463077.db2.gz JKTFOEDYPSNGJV-UHFFFAOYSA-N 0 0 149.197 1.359 10 0 ADAERN CO[C@@H](c1noc([C@H](C)N)n1)C1CC1 131239952 583463114 /nfs/dbraw/zinc/46/31/14/583463114.db2.gz BZWDSMZJFCAMMZ-CAHLUQPWSA-N 0 0 197.238 1.187 10 0 ADAERN CO[C@@H](c1noc([C@@H](C)N)n1)C1CC1 131240173 583463494 /nfs/dbraw/zinc/46/34/94/583463494.db2.gz BZWDSMZJFCAMMZ-IYSWYEEDSA-N 0 0 197.238 1.187 10 0 ADAERN CO[C@H](c1noc([C@@H](C)N)n1)C1CC1 131240640 583463823 /nfs/dbraw/zinc/46/38/23/583463823.db2.gz BZWDSMZJFCAMMZ-VDTYLAMSSA-N 0 0 197.238 1.187 10 0 ADAERN Cc1cc(N[C@@H](C)CCO)cnc1C 883341899 583464233 /nfs/dbraw/zinc/46/42/33/583464233.db2.gz DASJJULVXYVBBF-VIFPVBQESA-N 0 0 194.278 1.881 10 0 ADAERN Cc1cc(N[C@H]2CCOC2)cnc1C 883342066 583464446 /nfs/dbraw/zinc/46/44/46/583464446.db2.gz JOXXKXZHOQDPPW-JTQLQIEISA-N 0 0 192.262 1.899 10 0 ADAERN Cc1cc(N[C@@H]2CCOC2)cnc1C 883342067 583464599 /nfs/dbraw/zinc/46/45/99/583464599.db2.gz JOXXKXZHOQDPPW-SNVBAGLBSA-N 0 0 192.262 1.899 10 0 ADAERN Cc1cc(N[C@H](C)CCO)cnc1C 883341898 583464743 /nfs/dbraw/zinc/46/47/43/583464743.db2.gz DASJJULVXYVBBF-SECBINFHSA-N 0 0 194.278 1.881 10 0 ADAERN C=C/C=C\CCNC(=O)N[C@@H]1C[C@H]1C 883473206 583467063 /nfs/dbraw/zinc/46/70/63/583467063.db2.gz UFZNVNSINULZHN-BYIQDMNASA-N 0 0 194.278 1.826 10 0 ADAERN CONC(=O)N[C@@H]1C[C@@H]2CCCC[C@@H]21 883625522 583467152 /nfs/dbraw/zinc/46/71/52/583467152.db2.gz BXHNPYBAQUCINS-XHNCKOQMSA-N 0 0 198.266 1.426 10 0 ADAERN Cc1c(NCc2ccoc2)cnn1C 132031570 583467366 /nfs/dbraw/zinc/46/73/66/583467366.db2.gz HPRKDFZSGWIHAP-UHFFFAOYSA-N 0 0 191.234 1.934 10 0 ADAERN C=C/C=C/CCNC(=O)N[C@@H]1C[C@H]1C 883473207 583467449 /nfs/dbraw/zinc/46/74/49/583467449.db2.gz UFZNVNSINULZHN-NUNSBDKSSA-N 0 0 194.278 1.826 10 0 ADAERN C[C@@H]1CCN1C(=O)NC(CF)CF 883670237 583467901 /nfs/dbraw/zinc/46/79/01/583467901.db2.gz DDMGXKXWPVLKHO-ZCFIWIBFSA-N 0 0 192.209 1.098 10 0 ADAERN CCc1nn(CC)c(CC)c1C=O 132561624 583467955 /nfs/dbraw/zinc/46/79/55/583467955.db2.gz ZUVYJMDQENUBIQ-UHFFFAOYSA-N 0 0 180.251 1.840 10 0 ADAERN C[C@H]1CCN1C(=O)NC(CF)CF 883670236 583468005 /nfs/dbraw/zinc/46/80/05/583468005.db2.gz DDMGXKXWPVLKHO-LURJTMIESA-N 0 0 192.209 1.098 10 0 ADAERN C=C/C=C/CCNC(=O)NC/C=C\C 883743689 583468047 /nfs/dbraw/zinc/46/80/47/583468047.db2.gz KONRLLXOMWWEFZ-XGXWUAJZSA-N 0 0 194.278 1.994 10 0 ADAERN C=C/C=C\CCNC(=O)NC/C=C/C 883743687 583468077 /nfs/dbraw/zinc/46/80/77/583468077.db2.gz KONRLLXOMWWEFZ-GUBXDBFYSA-N 0 0 194.278 1.994 10 0 ADAERN CCc1c(N)n[nH]c1-c1ccnnc1 132500449 583468193 /nfs/dbraw/zinc/46/81/93/583468193.db2.gz XZTSUPADZZZKSK-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN C=C/C=C\CCNC(=O)NC/C=C\C 883743688 583468254 /nfs/dbraw/zinc/46/82/54/583468254.db2.gz KONRLLXOMWWEFZ-PEPZGXQESA-N 0 0 194.278 1.994 10 0 ADAERN C=C/C=C/CCNC(=O)NC/C=C/C 883743690 583468320 /nfs/dbraw/zinc/46/83/20/583468320.db2.gz KONRLLXOMWWEFZ-YDFGWWAZSA-N 0 0 194.278 1.994 10 0 ADAERN Cc1cc(-c2cc(N)n[nH]2)c(C)nn1 132498232 583468343 /nfs/dbraw/zinc/46/83/43/583468343.db2.gz QXGVZGOYBJBSRV-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN CCCOC(=O)c1ncccc1N 133829961 583473361 /nfs/dbraw/zinc/47/33/61/583473361.db2.gz BJHLCIDIKBWLQE-UHFFFAOYSA-N 0 0 180.207 1.231 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885561229 583487346 /nfs/dbraw/zinc/48/73/46/583487346.db2.gz NNWLREBBMPAYDD-IUCAKERBSA-N 0 0 186.251 1.611 10 0 ADAERN C[C@H]1CO[C@@H](C(=O)OCC(F)F)C1 885574517 583487350 /nfs/dbraw/zinc/48/73/50/583487350.db2.gz KPVHSIYFUWIQKT-PHDIDXHHSA-N 0 0 194.177 1.220 10 0 ADAERN CCCNC(=S)N[C@H](C)C(C)C 135890336 583487387 /nfs/dbraw/zinc/48/73/87/583487387.db2.gz XUVGSSQNPXNWSE-MRVPVSSYSA-N 0 0 188.340 1.905 10 0 ADAERN COC(=O)N[C@@H]1C[C@H]1c1ccccc1 136225425 583487653 /nfs/dbraw/zinc/48/76/53/583487653.db2.gz CIDXZECEGRWQMO-VHSXEESVSA-N 0 0 191.230 1.899 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)N1CCCCC1 136159485 583487753 /nfs/dbraw/zinc/48/77/53/583487753.db2.gz KQQALAGANOZHRB-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN CCC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 885708840 583487768 /nfs/dbraw/zinc/48/77/68/583487768.db2.gz PAJBHXNGRSKVFZ-ZJUUUORDSA-N 0 0 197.278 1.424 10 0 ADAERN CCC(=O)N1CC[C@@H]([C@H]2CCCO2)C1 885708837 583487820 /nfs/dbraw/zinc/48/78/20/583487820.db2.gz PAJBHXNGRSKVFZ-NXEZZACHSA-N 0 0 197.278 1.424 10 0 ADAERN O=C1C[C@@H](c2ccc(F)cc2)CO1 136157527 583487830 /nfs/dbraw/zinc/48/78/30/583487830.db2.gz XGNXKDUZIZYHQQ-MRVPVSSYSA-N 0 0 180.178 1.856 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)C1(C2CC2)CC1 885737164 583487880 /nfs/dbraw/zinc/48/78/80/583487880.db2.gz XWVCYIKVSJWDLI-MRVPVSSYSA-N 0 0 196.246 1.697 10 0 ADAERN CC(C)OC(=O)CCc1ccncc1 136007012 583487887 /nfs/dbraw/zinc/48/78/87/583487887.db2.gz FRJKRZSNQXRARZ-UHFFFAOYSA-N 0 0 193.246 1.966 10 0 ADAERN CCC(=O)N1CC[C@H]([C@H]2CCCO2)C1 885708839 583487917 /nfs/dbraw/zinc/48/79/17/583487917.db2.gz PAJBHXNGRSKVFZ-VHSXEESVSA-N 0 0 197.278 1.424 10 0 ADAERN CC(=O)[C@H](C)OC(=O)C1(C2CC2)CC1 885737165 583487953 /nfs/dbraw/zinc/48/79/53/583487953.db2.gz XWVCYIKVSJWDLI-QMMMGPOBSA-N 0 0 196.246 1.697 10 0 ADAERN O=C(OCC(F)F)C1(C2CC2)CC1 885732152 583487990 /nfs/dbraw/zinc/48/79/90/583487990.db2.gz JAJMFJFEWJIGIV-UHFFFAOYSA-N 0 0 190.189 1.985 10 0 ADAERN CC(=O)COC(=O)C1(C2CC2)CC1 885737144 583487983 /nfs/dbraw/zinc/48/79/83/583487983.db2.gz XCNLLVFXNHCQFA-UHFFFAOYSA-N 0 0 182.219 1.309 10 0 ADAERN CCCOC(=O)CCc1ccncc1 136006943 583488109 /nfs/dbraw/zinc/48/81/09/583488109.db2.gz SUNAORLPMDFGRY-UHFFFAOYSA-N 0 0 193.246 1.967 10 0 ADAERN CCC(=O)N1CC[C@H]([C@@H]2CCCO2)C1 885708838 583488232 /nfs/dbraw/zinc/48/82/32/583488232.db2.gz PAJBHXNGRSKVFZ-UWVGGRQHSA-N 0 0 197.278 1.424 10 0 ADAERN CCCN(C)C(=S)NC(C)C 136307004 583488524 /nfs/dbraw/zinc/48/85/24/583488524.db2.gz CILDGLMLYFSQGB-UHFFFAOYSA-N 0 0 174.313 1.611 10 0 ADAERN CCCN(CC)C(=S)NCC 136305635 583488563 /nfs/dbraw/zinc/48/85/63/583488563.db2.gz IBANRLKWKJJHFV-UHFFFAOYSA-N 0 0 174.313 1.613 10 0 ADAERN CCCN(CC)C(=S)NC 136305545 583488708 /nfs/dbraw/zinc/48/87/08/583488708.db2.gz AZHDKPYDVXUUOE-UHFFFAOYSA-N 0 0 160.286 1.223 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)NC[C@@]12CCC[C@@H]1C2 886009715 583489112 /nfs/dbraw/zinc/48/91/12/583489112.db2.gz ZWUCQJMHXHPEPR-SVDPJWKOSA-N 0 0 193.290 1.949 10 0 ADAERN COCCC(=O)NC[C@@]12CCC[C@@H]1C2 886004857 583489172 /nfs/dbraw/zinc/48/91/72/583489172.db2.gz QQECJKGADDYSPK-KOLCDFICSA-N 0 0 197.278 1.329 10 0 ADAERN C[C@H]1C[C@H]1C(=O)NC[C@@]12CCC[C@@H]1C2 886009716 583489313 /nfs/dbraw/zinc/48/93/13/583489313.db2.gz ZWUCQJMHXHPEPR-XNDJQWLSSA-N 0 0 193.290 1.949 10 0 ADAERN O=C(CCF)NC[C@@]12CCC[C@@H]1C2 885989882 583489319 /nfs/dbraw/zinc/48/93/19/583489319.db2.gz SYODTFKTWJVHSP-SCZZXKLOSA-N 0 0 185.242 1.652 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)NC[C@@]12CCC[C@@H]1C2 885997722 583489468 /nfs/dbraw/zinc/48/94/68/583489468.db2.gz ZWUCQJMHXHPEPR-BFLSOPEQSA-N 0 0 193.290 1.949 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NC[C@@]12CCC[C@@H]1C2 885997724 583489512 /nfs/dbraw/zinc/48/95/12/583489512.db2.gz ZWUCQJMHXHPEPR-WYFGTUCQSA-N 0 0 193.290 1.949 10 0 ADAERN CO[C@@H](C)C(=O)NC[C@@]12CCC[C@@H]1C2 886005047 583489634 /nfs/dbraw/zinc/48/96/34/583489634.db2.gz YOOPHQVWVOMNRQ-NGZCFLSTSA-N 0 0 197.278 1.328 10 0 ADAERN CSCC(=O)NC[C@@]12CCC[C@@H]1C2 886009429 583489637 /nfs/dbraw/zinc/48/96/37/583489637.db2.gz NCRQOISYVNHWCM-SCZZXKLOSA-N 0 0 199.319 1.656 10 0 ADAERN C/C=C\C(=O)NC[C@@]12CCC[C@@H]1C2 885990192 583489772 /nfs/dbraw/zinc/48/97/72/583489772.db2.gz ZNNIRRLAGCGJBG-BOVAPDGDSA-N 0 0 179.263 1.869 10 0 ADAERN C[C@@H](O)C(=O)NCC1CCC=CCC1 886018245 583490006 /nfs/dbraw/zinc/49/00/06/583490006.db2.gz YJSKKZYUAKYYRG-SECBINFHSA-N 0 0 197.278 1.230 10 0 ADAERN Cc1nccn1C[C@H]1C[C@@]12CCOC2 886087152 583490325 /nfs/dbraw/zinc/49/03/25/583490325.db2.gz QWCQRASFSACGNJ-GHMZBOCLSA-N 0 0 192.262 1.618 10 0 ADAERN c1cn(C[C@@H]2C[C@]23CCOC3)cn1 886047091 583490243 /nfs/dbraw/zinc/49/02/43/583490243.db2.gz VSJYYGAJIIGEQG-UWVGGRQHSA-N 0 0 178.235 1.310 10 0 ADAERN COC(=O)/C=C(/C)c1ccn(C)c1 217871116 583490314 /nfs/dbraw/zinc/49/03/14/583490314.db2.gz QGJLJGJLLFPTAU-VURMDHGXSA-N 0 0 179.219 1.601 10 0 ADAERN Cc1nccn1C[C@@H]1C[C@]12CCOC2 886087154 583490319 /nfs/dbraw/zinc/49/03/19/583490319.db2.gz QWCQRASFSACGNJ-QWRGUYRKSA-N 0 0 192.262 1.618 10 0 ADAERN c1cn(C[C@H]2C[C@@]23CCOC3)cn1 886047090 583490368 /nfs/dbraw/zinc/49/03/68/583490368.db2.gz VSJYYGAJIIGEQG-NXEZZACHSA-N 0 0 178.235 1.310 10 0 ADAERN Cc1nccn1C[C@H]1C[C@]12CCOC2 886087153 583490718 /nfs/dbraw/zinc/49/07/18/583490718.db2.gz QWCQRASFSACGNJ-MNOVXSKESA-N 0 0 192.262 1.618 10 0 ADAERN c1cn(C[C@H]2C[C@]23CCOC3)cn1 886047093 583490751 /nfs/dbraw/zinc/49/07/51/583490751.db2.gz VSJYYGAJIIGEQG-ZJUUUORDSA-N 0 0 178.235 1.310 10 0 ADAERN c1cn(C[C@@H]2C[C@@]23CCOC3)cn1 886047092 583490755 /nfs/dbraw/zinc/49/07/55/583490755.db2.gz VSJYYGAJIIGEQG-VHSXEESVSA-N 0 0 178.235 1.310 10 0 ADAERN C[C@H](O)C(=O)NCC1CCC=CCC1 886018246 583490766 /nfs/dbraw/zinc/49/07/66/583490766.db2.gz YJSKKZYUAKYYRG-VIFPVBQESA-N 0 0 197.278 1.230 10 0 ADAERN Cc1nccn1C[C@@H]1C[C@@]12CCOC2 886087155 583490774 /nfs/dbraw/zinc/49/07/74/583490774.db2.gz QWCQRASFSACGNJ-WDEREUQCSA-N 0 0 192.262 1.618 10 0 ADAERN CC1(C)C[C@H]1C(=O)NC1(CO)CCC1 218174306 583491060 /nfs/dbraw/zinc/49/10/60/583491060.db2.gz NLYFYPJTBWXMJJ-QMMMGPOBSA-N 0 0 197.278 1.064 10 0 ADAERN CCC(CC)OC(=O)C[C@H](O)CC 137078739 583491186 /nfs/dbraw/zinc/49/11/86/583491186.db2.gz YFZBBCYCQJNHBE-MRVPVSSYSA-N 0 0 188.267 1.879 10 0 ADAERN C/C=C/C[C@@H](N)C(=O)OC(C)(C)C 136838500 583491253 /nfs/dbraw/zinc/49/12/53/583491253.db2.gz VYOYSEXWCFSRPY-HQZHTGGTSA-N 0 0 185.267 1.622 10 0 ADAERN CC(=O)N[C@H]1C[C@@H](O)c2ccccc21 137007530 583491405 /nfs/dbraw/zinc/49/14/05/583491405.db2.gz HUPHBKUAYGKKDI-WDEREUQCSA-N 0 0 191.230 1.301 10 0 ADAERN C[Si](C)(C)CCCC(N)=O 218452862 583491434 /nfs/dbraw/zinc/49/14/34/583491434.db2.gz BJQSPCCJKLAOJF-UHFFFAOYSA-N 0 0 159.305 1.590 10 0 ADAERN O[C@@H]1CCCC[C@H]1NOC1CCCC1 137009872 583491565 /nfs/dbraw/zinc/49/15/65/583491565.db2.gz QSXOCQVFUWFDLD-GHMZBOCLSA-N 0 0 199.294 1.754 10 0 ADAERN CCC(=O)OCC1CC=CC1 218351857 583491784 /nfs/dbraw/zinc/49/17/84/583491784.db2.gz PETBJBAKXNZABD-UHFFFAOYSA-N 0 0 154.209 1.906 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 137007502 583491792 /nfs/dbraw/zinc/49/17/92/583491792.db2.gz HUPHBKUAYGKKDI-GHMZBOCLSA-N 0 0 191.230 1.301 10 0 ADAERN COC(=O)NC1CCC=CCC1 136946031 583491844 /nfs/dbraw/zinc/49/18/44/583491844.db2.gz WWRUCIYJALJMSP-UHFFFAOYSA-N 0 0 169.224 1.841 10 0 ADAERN C/C=C/C[C@H](N)C(=O)OC(C)(C)C 136838441 583491902 /nfs/dbraw/zinc/49/19/02/583491902.db2.gz VYOYSEXWCFSRPY-GJIOHYHPSA-N 0 0 185.267 1.622 10 0 ADAERN CC(=O)N[C@H]1C[C@H](O)c2ccccc21 137007459 583491948 /nfs/dbraw/zinc/49/19/48/583491948.db2.gz HUPHBKUAYGKKDI-QWRGUYRKSA-N 0 0 191.230 1.301 10 0 ADAERN CC(C)(O)CNOC1CCCC1 136980203 583492016 /nfs/dbraw/zinc/49/20/16/583492016.db2.gz FELLBDBRHCXQGK-UHFFFAOYSA-N 0 0 173.256 1.221 10 0 ADAERN CCCCCCOCC(=O)NC 137293609 583492318 /nfs/dbraw/zinc/49/23/18/583492318.db2.gz NGZOYXWNCQYAKE-UHFFFAOYSA-N 0 0 173.256 1.329 10 0 ADAERN C1Cc2[nH]nc(NCC3CC3)c2CO1 886207920 583493559 /nfs/dbraw/zinc/49/35/59/583493559.db2.gz PLZJVDWGQBTBQU-UHFFFAOYSA-N 0 0 193.250 1.304 10 0 ADAERN CCNC(=O)c1ncc(CC)s1 218839017 583494181 /nfs/dbraw/zinc/49/41/81/583494181.db2.gz USMUJSQMJDHVGN-UHFFFAOYSA-N 0 0 184.264 1.455 10 0 ADAERN Nc1cnc(OCCC2CC2)nc1 218894162 583494341 /nfs/dbraw/zinc/49/43/41/583494341.db2.gz KCKUEYUWVYVHFK-UHFFFAOYSA-N 0 0 179.223 1.238 10 0 ADAERN COC(=O)N1CC(C(C)(C)C)C1 219048585 583494585 /nfs/dbraw/zinc/49/45/85/583494585.db2.gz URGYGSNWSVNUJY-UHFFFAOYSA-N 0 0 171.240 1.731 10 0 ADAERN CCON(CC)C[C@@H]1C[C@]12CCOC2 886312135 583494744 /nfs/dbraw/zinc/49/47/44/583494744.db2.gz UIDKLNPAYFULPZ-QWRGUYRKSA-N 0 0 199.294 1.686 10 0 ADAERN CCON(CC)C[C@H]1C[C@]12CCOC2 886312134 583494748 /nfs/dbraw/zinc/49/47/48/583494748.db2.gz UIDKLNPAYFULPZ-MNOVXSKESA-N 0 0 199.294 1.686 10 0 ADAERN Cc1c[nH]nc1CN(C1CC1)C1CC1 886297488 583494783 /nfs/dbraw/zinc/49/47/83/583494783.db2.gz SUSDVJVVDGBYRS-UHFFFAOYSA-N 0 0 191.278 1.845 10 0 ADAERN CCON(CC)C[C@@H]1C[C@@]12CCOC2 886312136 583494803 /nfs/dbraw/zinc/49/48/03/583494803.db2.gz UIDKLNPAYFULPZ-WDEREUQCSA-N 0 0 199.294 1.686 10 0 ADAERN CCON(CC)Cc1n[nH]cc1C 886312189 583494831 /nfs/dbraw/zinc/49/48/31/583494831.db2.gz WJDIWPLRVPUAEE-UHFFFAOYSA-N 0 0 183.255 1.492 10 0 ADAERN Cc1c[nH]nc1CN1CCCCCO1 886309304 583494915 /nfs/dbraw/zinc/49/49/15/583494915.db2.gz ZKHSNRBIRLANHP-UHFFFAOYSA-N 0 0 195.266 1.636 10 0 ADAERN CCON(CC)C[C@H]1C[C@@]12CCOC2 886312133 583494991 /nfs/dbraw/zinc/49/49/91/583494991.db2.gz UIDKLNPAYFULPZ-GHMZBOCLSA-N 0 0 199.294 1.686 10 0 ADAERN CCCCCCN1C(=O)C[C@H](C)C1=O 137626900 583495091 /nfs/dbraw/zinc/49/50/91/583495091.db2.gz CWJHWOGBBCPKGY-VIFPVBQESA-N 0 0 197.278 1.962 10 0 ADAERN Cc1c[nH]nc1C[N@@H+]1CC2CC1(C)C2 886289064 583495118 /nfs/dbraw/zinc/49/51/18/583495118.db2.gz MVIUTPNFXPQMEF-UHFFFAOYSA-N 0 0 191.278 1.702 10 0 ADAERN Cc1c[nH]nc1CN1CCC(F)CC1 886315423 583495136 /nfs/dbraw/zinc/49/51/36/583495136.db2.gz LOLJUCNIABOGAR-UHFFFAOYSA-N 0 0 197.257 1.652 10 0 ADAERN CCCCCCN1C(=O)C[C@@H](C)C1=O 137626985 583495339 /nfs/dbraw/zinc/49/53/39/583495339.db2.gz CWJHWOGBBCPKGY-SECBINFHSA-N 0 0 197.278 1.962 10 0 ADAERN Cc1nc([C@@H](C)N2C[C@H]3C[C@H]3C2)no1 886346321 583496288 /nfs/dbraw/zinc/49/62/88/583496288.db2.gz GHAXKFAXNIPUQP-VDAHYXPESA-N 0 0 193.250 1.391 10 0 ADAERN Cc1nc([C@H](C)N2C[C@H]3C[C@H]3C2)no1 886346319 583496587 /nfs/dbraw/zinc/49/65/87/583496587.db2.gz GHAXKFAXNIPUQP-CNUIFLNQSA-N 0 0 193.250 1.391 10 0 ADAERN CCC(CC)(CC[NH3+])C(=O)[O-] 137681483 583496593 /nfs/dbraw/zinc/49/65/93/583496593.db2.gz SMLLSFAHTLZJKP-UHFFFAOYSA-N 0 0 159.229 1.226 10 0 ADAERN COC[C@@H](C)CNc1ccc(F)nc1 220864280 583502165 /nfs/dbraw/zinc/50/21/65/583502165.db2.gz KZKNQZVPCMITOL-QMMMGPOBSA-N 0 0 198.241 1.915 10 0 ADAERN CC(=O)OCCC=C(C)C 139077352 583502192 /nfs/dbraw/zinc/50/21/92/583502192.db2.gz BLCVRQROLSDXAH-UHFFFAOYSA-N 0 0 142.198 1.906 10 0 in-vitro ADAERN CC(=O)O[C@@H]1COc2ccccc21 137737265 583497944 /nfs/dbraw/zinc/49/79/44/583497944.db2.gz AZSLDLFWWDVRTE-SNVBAGLBSA-N 0 0 178.187 1.683 10 0 ADAERN C/C=C\CN[C@H](C)c1ncco1 886528227 583498893 /nfs/dbraw/zinc/49/88/93/583498893.db2.gz IUYVCFDTCNPBNK-TUUFMJSCSA-N 0 0 166.224 1.901 10 0 ADAERN C/C=C/CN[C@@H](C)c1ncco1 886528226 583499109 /nfs/dbraw/zinc/49/91/09/583499109.db2.gz IUYVCFDTCNPBNK-RTMURIBGSA-N 0 0 166.224 1.901 10 0 ADAERN C/C=C\CN[C@@H](C)c1ncco1 886528228 583499170 /nfs/dbraw/zinc/49/91/70/583499170.db2.gz IUYVCFDTCNPBNK-VEMNSZJBSA-N 0 0 166.224 1.901 10 0 ADAERN Cc1nc(-c2ccc(C=O)cc2)n[nH]1 138077936 583499231 /nfs/dbraw/zinc/49/92/31/583499231.db2.gz GPNINCOOLRJBJK-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN C[C@@H](N[C@@H]1CCCOC1)c1ncco1 886537176 583499245 /nfs/dbraw/zinc/49/92/45/583499245.db2.gz VKMNVGWPZPYAJH-RKDXNWHRSA-N 0 0 196.250 1.504 10 0 ADAERN C/C=C/CN[C@H](C)c1ncco1 886528225 583499501 /nfs/dbraw/zinc/49/95/01/583499501.db2.gz IUYVCFDTCNPBNK-MPJRPATESA-N 0 0 166.224 1.901 10 0 ADAERN CC(C)(C)C(=O)OCc1cnccn1 138101501 583499588 /nfs/dbraw/zinc/49/95/88/583499588.db2.gz ZNVGOSMPXUOVQD-UHFFFAOYSA-N 0 0 194.234 1.566 10 0 ADAERN CC(=O)CCC(=O)OCC(F)(F)F 138045324 583499651 /nfs/dbraw/zinc/49/96/51/583499651.db2.gz HRDQBZCRGZLAOA-UHFFFAOYSA-N 0 0 198.140 1.461 10 0 ADAERN C=COCCOC(=O)C(C)(C)C 138388539 583499832 /nfs/dbraw/zinc/49/98/32/583499832.db2.gz MKUHGTBLBQBKBC-UHFFFAOYSA-N 0 0 172.224 1.736 10 0 ADAERN CCC[C@H](C)OC(=O)C[C@@H](O)CC 138329997 583499854 /nfs/dbraw/zinc/49/98/54/583499854.db2.gz YSLXCMLEHPTRKW-IUCAKERBSA-N 0 0 188.267 1.879 10 0 ADAERN CCCONC(=O)C(C)C 219958464 583500041 /nfs/dbraw/zinc/50/00/41/583500041.db2.gz GQUVSNPVTQGXJN-UHFFFAOYSA-N 0 0 145.202 1.100 10 0 ADAERN CCC[C@@H](C)OC(=O)C[C@@H](O)CC 138329882 583500443 /nfs/dbraw/zinc/50/04/43/583500443.db2.gz YSLXCMLEHPTRKW-BDAKNGLRSA-N 0 0 188.267 1.879 10 0 ADAERN CCCCCC(=O)Nc1cn[nH]n1 220048074 583500455 /nfs/dbraw/zinc/50/04/55/583500455.db2.gz OQURNESJUJWKKX-UHFFFAOYSA-N 0 0 182.227 1.324 10 0 ADAERN CCC(C)(C)COC(C)=O 138571155 583500663 /nfs/dbraw/zinc/50/06/63/583500663.db2.gz NHYAVJHYAAAJFM-UHFFFAOYSA-N 0 0 144.214 1.986 10 0 ADAERN CCOCCC(=O)OCC(C)C 138672579 583500701 /nfs/dbraw/zinc/50/07/01/583500701.db2.gz DJFZPYXSQGZFBA-UHFFFAOYSA-N 0 0 174.240 1.612 10 0 ADAERN CCOCCOC(=O)c1cccnc1 220323216 583500734 /nfs/dbraw/zinc/50/07/34/583500734.db2.gz XSLGZLAGDYDACL-UHFFFAOYSA-N 0 0 195.218 1.275 10 0 ADAERN O=C(CCC(F)F)OCC(F)F 220523383 583501099 /nfs/dbraw/zinc/50/10/99/583501099.db2.gz UMQCBIBWWGDCEV-UHFFFAOYSA-N 0 0 188.120 1.840 10 0 ADAERN CCCC(C)(C)C(=O)NOC 138843766 583501732 /nfs/dbraw/zinc/50/17/32/583501732.db2.gz HKPUAUSLZVJTKA-UHFFFAOYSA-N 0 0 159.229 1.490 10 0 ADAERN CCOCC(=O)Oc1ccccc1 139013985 583501866 /nfs/dbraw/zinc/50/18/66/583501866.db2.gz HETDSEQVGCUOJR-UHFFFAOYSA-N 0 0 180.203 1.629 10 0 ADAERN COC[C@H](C)CNc1ccc(F)nc1 220864344 583502601 /nfs/dbraw/zinc/50/26/01/583502601.db2.gz KZKNQZVPCMITOL-MRVPVSSYSA-N 0 0 198.241 1.915 10 0 ADAERN CCCC(=O)O[C@@H](C)C(F)F 220816081 583503130 /nfs/dbraw/zinc/50/31/30/583503130.db2.gz OPVOKKWTLGVQAC-YFKPBYRVSA-N 0 0 166.167 1.983 10 0 ADAERN CC(C)C(=O)O[C@@H](C)C(F)F 220815806 583503377 /nfs/dbraw/zinc/50/33/77/583503377.db2.gz XFUIODCDGGSAIO-YFKPBYRVSA-N 0 0 166.167 1.839 10 0 ADAERN COC(=O)Oc1ccc(C)nc1 139353668 583503774 /nfs/dbraw/zinc/50/37/74/583503774.db2.gz QXRUPANLCZUEIQ-UHFFFAOYSA-N 0 0 167.164 1.535 10 0 ADAERN CC(C)=CC(=O)NC(C)(C)C(C)(C)O 221137260 583504019 /nfs/dbraw/zinc/50/40/19/583504019.db2.gz NKIAOMLWAYYTAU-UHFFFAOYSA-N 0 0 199.294 1.618 10 0 ADAERN CSCC(=O)OC1CCCC1 139144734 583504159 /nfs/dbraw/zinc/50/41/59/583504159.db2.gz KHOWSPSFSZXVIH-UHFFFAOYSA-N 0 0 174.265 1.835 10 0 ADAERN O=C(Oc1ccc(F)cc1)C(F)F 221059264 583504197 /nfs/dbraw/zinc/50/41/97/583504197.db2.gz GTQVFHWDOIGTJU-UHFFFAOYSA-N 0 0 190.120 1.996 10 0 ADAERN COC(=O)C[C@@H]1CCC(F)(F)C1 139363294 583504363 /nfs/dbraw/zinc/50/43/63/583504363.db2.gz LLYPGNAKHSOJRZ-LURJTMIESA-N 0 0 178.178 1.985 10 0 ADAERN CCCCc1cc(C=O)no1 221814115 583505192 /nfs/dbraw/zinc/50/51/92/583505192.db2.gz XMOLWVIIUXLICK-UHFFFAOYSA-N 0 0 153.181 1.830 10 0 ADAERN CCCCCOC(=O)C(C)(C)O 140054095 583505236 /nfs/dbraw/zinc/50/52/36/583505236.db2.gz HOVQFGLRQDKTFR-UHFFFAOYSA-N 0 0 174.240 1.491 10 0 ADAERN COCC(=O)O[C@@H](C)C(C)C 140076949 583506137 /nfs/dbraw/zinc/50/61/37/583506137.db2.gz PYMBBHXESPIMSN-ZETCQYMHSA-N 0 0 160.213 1.221 10 0 ADAERN Cc1c[nH]nc1CN(C)CCCF 887143704 583506358 /nfs/dbraw/zinc/50/63/58/583506358.db2.gz MNZNDODNGCIWOG-UHFFFAOYSA-N 0 0 185.246 1.510 10 0 ADAERN COCC(=O)O[C@H](C)C(C)C 140076803 583506595 /nfs/dbraw/zinc/50/65/95/583506595.db2.gz PYMBBHXESPIMSN-SSDOTTSWSA-N 0 0 160.213 1.221 10 0 ADAERN C/C=C/C=C\C(=O)N(C)OC 140343854 583506914 /nfs/dbraw/zinc/50/69/14/583506914.db2.gz GBAODMWSGUNKPW-DEQVHDEQSA-N 0 0 155.197 1.139 10 0 ADAERN COC(=O)CCc1ccc(OC)nc1 140396514 583507475 /nfs/dbraw/zinc/50/74/75/583507475.db2.gz QJTSPGRQLZGGRE-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COc1ccnc(OC)c1NC(C)=O 887272381 583507575 /nfs/dbraw/zinc/50/75/75/583507575.db2.gz MKGJHAIPSKWJCL-UHFFFAOYSA-N 0 0 196.206 1.057 10 0 ADAERN C=COCCOC(=O)c1ccco1 140431619 583507761 /nfs/dbraw/zinc/50/77/61/583507761.db2.gz WFNGHRMVFNMHKD-UHFFFAOYSA-N 0 0 182.175 1.597 10 0 ADAERN C[C@@H]1CO[C@@H](C(=O)NC2CC=CC2)C1 889505392 583510957 /nfs/dbraw/zinc/51/09/57/583510957.db2.gz ZZFGHHKRBWPWQC-WCBMZHEXSA-N 0 0 195.262 1.246 10 0 ADAERN CO[C@H]1CCC[C@H](OC(C)=O)C1 140670990 583508647 /nfs/dbraw/zinc/50/86/47/583508647.db2.gz RQWZMCPAAOOQDX-IUCAKERBSA-N 0 0 172.224 1.507 10 0 ADAERN c1c([C@H]2CCCCO2)nnn1C1CC1 887417471 583509100 /nfs/dbraw/zinc/50/91/00/583509100.db2.gz MLIROJLWKNRTBW-SNVBAGLBSA-N 0 0 193.250 1.855 10 0 ADAERN CC=CC[S@](=O)Cc1n[nH]cc1C 887374770 583509108 /nfs/dbraw/zinc/50/91/08/583509108.db2.gz UNGFTMGHNGMJEZ-SCOBNMCVSA-N 0 0 198.291 1.543 10 0 ADAERN CC=CC[S@](=O)Cc1n[nH]cc1C 887374769 583509116 /nfs/dbraw/zinc/50/91/16/583509116.db2.gz UNGFTMGHNGMJEZ-OOPCZODUSA-N 0 0 198.291 1.543 10 0 ADAERN c1c([C@@H]2CCCCO2)nnn1C1CC1 887417470 583509340 /nfs/dbraw/zinc/50/93/40/583509340.db2.gz MLIROJLWKNRTBW-JTQLQIEISA-N 0 0 193.250 1.855 10 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VLJWYNHOTVGHOD-LURJTMIESA-N 0 0 190.193 1.280 10 0 ADAERN C[C@H]1CO[C@@H](C(=O)NC2CC=CC2)C1 889505390 583510973 /nfs/dbraw/zinc/51/09/73/583510973.db2.gz ZZFGHHKRBWPWQC-PSASIEDQSA-N 0 0 195.262 1.246 10 0 ADAERN C[C@@H]1CO[C@@H](C(=O)NCC2(C)CC2)C1 889344890 583511007 /nfs/dbraw/zinc/51/10/07/583511007.db2.gz AEKINRIHNZZVRS-DTWKUNHWSA-N 0 0 197.278 1.328 10 0 ADAERN CO[C@@H]1CC[C@H]1N(C)C(=O)C1CCC1 889368332 583511023 /nfs/dbraw/zinc/51/10/23/583511023.db2.gz IPMJEHOBCXYNIQ-NXEZZACHSA-N 0 0 197.278 1.422 10 0 ADAERN CO[C@@H]1CC[C@@H]1N(C)C(=O)C1CCC1 889368334 583511042 /nfs/dbraw/zinc/51/10/42/583511042.db2.gz IPMJEHOBCXYNIQ-VHSXEESVSA-N 0 0 197.278 1.422 10 0 ADAERN C[C@@H]1CO[C@H](C(=O)NC2CC=CC2)C1 889505393 583511063 /nfs/dbraw/zinc/51/10/63/583511063.db2.gz ZZFGHHKRBWPWQC-WPRPVWTQSA-N 0 0 195.262 1.246 10 0 ADAERN CC1(C)CC[C@@H]1C(=O)N1CC[C@H]1CO 889159913 583511137 /nfs/dbraw/zinc/51/11/37/583511137.db2.gz QGQNGRNUCQZOBA-DTWKUNHWSA-N 0 0 197.278 1.016 10 0 ADAERN 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/nfs/dbraw/zinc/90/98/17/1443909817.db2.gz ADSUIIDLZUAKKC-MRVPVSSYSA-N 0 0 197.286 1.431 10 0 ADAERN CCCC(CCC)[NH2+]Cc1nnn[n-]1 44927382 1443915061 /nfs/dbraw/zinc/91/50/61/1443915061.db2.gz PBCWSZQHSZYOJZ-UHFFFAOYSA-N 0 0 197.286 1.258 10 0 ADAERN C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1nnn[n-]1 83391003 1444002586 /nfs/dbraw/zinc/00/25/86/1444002586.db2.gz OPZCIQGXWRTBOY-CSMHCCOUSA-N 0 0 195.270 1.039 10 0 ADAERN C[C@H]1COC(c2cccs2)=N1 3029908 490002945 /nfs/dbraw/zinc/00/29/45/490002945.db2.gz XBIIJBHFKGYSTI-LURJTMIESA-N 0 0 167.233 1.913 10 0 ADAERN C[C@@H]1COC(c2cccs2)=N1 3029910 490002949 /nfs/dbraw/zinc/00/29/49/490002949.db2.gz XBIIJBHFKGYSTI-ZCFIWIBFSA-N 0 0 167.233 1.913 10 0 ADAERN O=Nc1cnc2cnccn12 39079858 490014269 /nfs/dbraw/zinc/01/42/69/490014269.db2.gz HBOPESHJMDLLJF-UHFFFAOYSA-N 0 0 148.125 1.127 10 0 ADAERN c1sc2ccn3cnc1c23 39079876 490014342 /nfs/dbraw/zinc/01/43/42/490014342.db2.gz CNMCBPVKXXAGCL-UHFFFAOYSA-N 0 0 148.190 1.987 10 0 ADAERN CCOC[C@H](C)Nc1nccc(C)n1 61859382 490016448 /nfs/dbraw/zinc/01/64/48/490016448.db2.gz QHASZGDQLXSTGP-VIFPVBQESA-N 0 0 195.266 1.622 10 0 ADAERN CCCc1noc(C[C@H](O)CCC)n1 70998697 490019425 /nfs/dbraw/zinc/01/94/25/490019425.db2.gz XAVYAEZEZBKZHI-MRVPVSSYSA-N 0 0 198.266 1.726 10 0 ADAERN CCCc1noc(C[C@@H](O)CCC)n1 70998703 490019763 /nfs/dbraw/zinc/01/97/63/490019763.db2.gz XAVYAEZEZBKZHI-QMMMGPOBSA-N 0 0 198.266 1.726 10 0 ADAERN Cc1ccnc(N[C@H]2CCCOC2)n1 71014205 490020024 /nfs/dbraw/zinc/02/00/24/490020024.db2.gz VYAAUYYSGLVEFY-VIFPVBQESA-N 0 0 193.250 1.376 10 0 ADAERN Cc1ccc(N[C@H]2CCCOC2)nn1 71014344 490020271 /nfs/dbraw/zinc/02/02/71/490020271.db2.gz LEECAPPURFYGAM-VIFPVBQESA-N 0 0 193.250 1.376 10 0 ADAERN Cc1ccc(N[C@@H]2CCCOC2)nn1 71014340 490020444 /nfs/dbraw/zinc/02/04/44/490020444.db2.gz LEECAPPURFYGAM-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN FC(F)(F)CCSc1nc[nH]n1 72263993 490020448 /nfs/dbraw/zinc/02/04/48/490020448.db2.gz FXWIGDNEICXOAK-UHFFFAOYSA-N 0 0 197.185 1.849 10 0 ADAERN Cc1cn(Cc2ccccc2C)nn1 72155368 490020473 /nfs/dbraw/zinc/02/04/73/490020473.db2.gz FKDLJGHVXURTMP-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN CC(=O)NCCCc1ccccn1 74553819 490020952 /nfs/dbraw/zinc/02/09/52/490020952.db2.gz CKXUCMALUFRMLA-UHFFFAOYSA-N 0 0 178.235 1.150 10 0 ADAERN CCC(=O)NCCCc1ccccn1 74553822 490021051 /nfs/dbraw/zinc/02/10/51/490021051.db2.gz QFCMDRKDKOIPMC-UHFFFAOYSA-N 0 0 192.262 1.540 10 0 ADAERN CCCCC(=O)N1CCC(OC)CC1 74827178 490021609 /nfs/dbraw/zinc/02/16/09/490021609.db2.gz BKDLXTJLTMJGDS-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN CCCC(=O)NCc1oc(C)nc1C 74791994 490022023 /nfs/dbraw/zinc/02/20/23/490022023.db2.gz XSIDEWXDIIHUTI-UHFFFAOYSA-N 0 0 196.250 1.708 10 0 ADAERN CCCC[C@@H](C)C(=O)NCC 78196962 490024034 /nfs/dbraw/zinc/02/40/34/490024034.db2.gz AEEOULJUJIUJLJ-MRVPVSSYSA-N 0 0 157.257 1.949 10 0 ADAERN CCCC[C@H](C)C(=O)NCC 78196965 490024071 /nfs/dbraw/zinc/02/40/71/490024071.db2.gz AEEOULJUJIUJLJ-QMMMGPOBSA-N 0 0 157.257 1.949 10 0 ADAERN C[C@H](CO)CSc1ccncc1 78373011 490024115 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/nfs/dbraw/zinc/04/01/29/491040129.db2.gz NSIMIKRSSVRKEI-PWNYCUMCSA-N 0 0 180.127 1.296 10 0 ADAERN CC[C@H]1COC(c2ccccn2)=N1 196469047 491040140 /nfs/dbraw/zinc/04/01/40/491040140.db2.gz FNISSJKNKDPUKD-QMMMGPOBSA-N 0 0 176.219 1.637 10 0 ADAERN CCCCSc1nnnn1C 196646452 491040145 /nfs/dbraw/zinc/04/01/45/491040145.db2.gz CBPBURORUOKLES-UHFFFAOYSA-N 0 0 172.257 1.102 10 0 ADAERN CCOC(=O)[C@@H](C)SCC(C)=O 196650492 491040149 /nfs/dbraw/zinc/04/01/49/491040149.db2.gz FBMPDHSGKGXRCE-SSDOTTSWSA-N 0 0 190.264 1.260 10 0 ADAERN CC(C)[C@@H]1OC(=O)[C@@H]1C 196868198 491040177 /nfs/dbraw/zinc/04/01/77/491040177.db2.gz VFVVEJLRCBEJIF-RITPCOANSA-N 0 0 128.171 1.204 10 0 ADAERN CC1(C)CC(=O)Oc2cc(O)ccc21 197335524 491040181 /nfs/dbraw/zinc/04/01/81/491040181.db2.gz FCRAPOFBUGUUBT-UHFFFAOYSA-N 0 0 192.214 1.979 10 0 ADAERN O=C(OC1CC1)OC1CC1 197336861 491040183 /nfs/dbraw/zinc/04/01/83/491040183.db2.gz IBVLDEJBDWVBQY-UHFFFAOYSA-N 0 0 142.154 1.464 10 0 ADAERN CC(=O)NC[C@]1(C)C=CC=CC1 199872461 491040208 /nfs/dbraw/zinc/04/02/08/491040208.db2.gz VZRPZFVFKNBCBH-SNVBAGLBSA-N 0 0 165.236 1.645 10 0 ADAERN C[C@@H](O)C[C@@H](C)Nc1cccnn1 228129788 491044367 /nfs/dbraw/zinc/04/43/67/491044367.db2.gz XYOFRZVCMNPBBA-HTQZYQBOSA-N 0 0 181.239 1.048 10 0 ADAERN C[C@@H](C[C@@H](C)O)Nc1cccnn1 228129808 491044408 /nfs/dbraw/zinc/04/44/08/491044408.db2.gz XYOFRZVCMNPBBA-JGVFFNPUSA-N 0 0 181.239 1.048 10 0 ADAERN C[C@H](O)C[C@H](C)Nc1cccnn1 228129817 491044413 /nfs/dbraw/zinc/04/44/13/491044413.db2.gz XYOFRZVCMNPBBA-YUMQZZPRSA-N 0 0 181.239 1.048 10 0 ADAERN C[C@H](O)C[C@@H](C)Nc1cccnn1 228129800 491044414 /nfs/dbraw/zinc/04/44/14/491044414.db2.gz XYOFRZVCMNPBBA-SFYZADRCSA-N 0 0 181.239 1.048 10 0 ADAERN COC(C)(C)C(=O)NCC1(C)CC1 223639212 491041429 /nfs/dbraw/zinc/04/14/29/491041429.db2.gz PBRPEZGLIVZQOR-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN Cc1noc(C2(C(F)(F)F)CC2)n1 223780033 491041452 /nfs/dbraw/zinc/04/14/52/491041452.db2.gz XIYRPOAPQCISTB-UHFFFAOYSA-N 0 0 192.140 1.972 10 0 ADAERN CCCOCC(=O)NC1(CC)CCC1 223628088 491041461 /nfs/dbraw/zinc/04/14/61/491041461.db2.gz JSONRROMHBVUGJ-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CC(C)c1cnc(CO)o1 224295786 491041722 /nfs/dbraw/zinc/04/17/22/491041722.db2.gz YXYXTHFCLKIRBF-UHFFFAOYSA-N 0 0 141.170 1.290 10 0 ADAERN CC(=O)NCCCCOC(C)C 228579551 491044502 /nfs/dbraw/zinc/04/45/02/491044502.db2.gz CHCHFZURPZQERJ-UHFFFAOYSA-N 0 0 173.256 1.328 10 0 ADAERN C[C@H](N[C@H](C)[C@@H]1CCCO1)C(F)F 228486583 491044513 /nfs/dbraw/zinc/04/45/13/491044513.db2.gz SEBXGTOYOGHGFU-CSMHCCOUSA-N 0 0 193.237 1.797 10 0 ADAERN C[C@H](NC1CCC(O)CC1)C(F)F 228480489 491044528 /nfs/dbraw/zinc/04/45/28/491044528.db2.gz MVEKANSIYLKLCN-KKMMWDRVSA-N 0 0 193.237 1.533 10 0 ADAERN C[C@H](NCc1ccnn1C)C(F)F 228513331 491044531 /nfs/dbraw/zinc/04/45/31/491044531.db2.gz AMDNVCQRPFYSTL-LURJTMIESA-N 0 0 189.209 1.163 10 0 ADAERN C[C@@H](NCc1cccnc1)C(F)F 228484577 491044536 /nfs/dbraw/zinc/04/45/36/491044536.db2.gz RDOLGMRLGGQYEG-SSDOTTSWSA-N 0 0 186.205 1.825 10 0 ADAERN C[C@H](NCc1cccnc1)C(F)F 228484583 491044541 /nfs/dbraw/zinc/04/45/41/491044541.db2.gz RDOLGMRLGGQYEG-ZETCQYMHSA-N 0 0 186.205 1.825 10 0 ADAERN CCC[C@@](C)(O)CNC(=O)[C@H]1C[C@@H]1C 224682990 491041914 /nfs/dbraw/zinc/04/19/14/491041914.db2.gz RQLBOLUYHMKZTQ-ATZCPNFKSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H](NCc1ccnn1C)C(F)F 228513326 491044547 /nfs/dbraw/zinc/04/45/47/491044547.db2.gz AMDNVCQRPFYSTL-ZCFIWIBFSA-N 0 0 189.209 1.163 10 0 ADAERN COCCCn1cc(C)cn1 225014240 491041937 /nfs/dbraw/zinc/04/19/37/491041937.db2.gz BRDFMAQPUDYCRP-UHFFFAOYSA-N 0 0 154.213 1.228 10 0 ADAERN NC(=O)CCCC1CCOCC1 224859298 491042010 /nfs/dbraw/zinc/04/20/10/491042010.db2.gz GBKQHQJOWIPVIV-UHFFFAOYSA-N 0 0 171.240 1.069 10 0 ADAERN C[C@@H](NC1CCC(O)CC1)C(F)F 228480483 491044569 /nfs/dbraw/zinc/04/45/69/491044569.db2.gz MVEKANSIYLKLCN-JECWYVHBSA-N 0 0 193.237 1.533 10 0 ADAERN C[C@H](N[C@@H](C)[C@@H]1CCCO1)C(F)F 228486574 491044576 /nfs/dbraw/zinc/04/45/76/491044576.db2.gz SEBXGTOYOGHGFU-FXQIFTODSA-N 0 0 193.237 1.797 10 0 ADAERN CC1CCN(Cc2cocn2)CC1 225246550 491042074 /nfs/dbraw/zinc/04/20/74/491042074.db2.gz SSBBPOMQTABBNA-UHFFFAOYSA-N 0 0 180.251 1.907 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N(C)[C@H](C)C1CC1 225197782 491042082 /nfs/dbraw/zinc/04/20/82/491042082.db2.gz QYDSULBYJDWSJL-XKSSXDPKSA-N 0 0 181.279 1.899 10 0 ADAERN C[C@H]1CCCN(Cc2cocn2)C1 225252119 491042106 /nfs/dbraw/zinc/04/21/06/491042106.db2.gz OOUZTEDFKBMSDK-VIFPVBQESA-N 0 0 180.251 1.907 10 0 ADAERN C[C@@H]1CCCN(Cc2cocn2)C1 225252075 491042119 /nfs/dbraw/zinc/04/21/19/491042119.db2.gz OOUZTEDFKBMSDK-SECBINFHSA-N 0 0 180.251 1.907 10 0 ADAERN CC[C@@H](C(N)=O)c1ccc(OC)cc1 225262059 491042156 /nfs/dbraw/zinc/04/21/56/491042156.db2.gz CIGHNRUGRKAZNZ-SNVBAGLBSA-N 0 0 193.246 1.674 10 0 ADAERN CC[C@H](C(N)=O)c1ccc(OC)cc1 225262031 491042165 /nfs/dbraw/zinc/04/21/65/491042165.db2.gz CIGHNRUGRKAZNZ-JTQLQIEISA-N 0 0 193.246 1.674 10 0 ADAERN CCCC(=O)N[C@H]1CCCC[C@@H]1CO 225665345 491042192 /nfs/dbraw/zinc/04/21/92/491042192.db2.gz OLAJUHAVRLJSBP-ZJUUUORDSA-N 0 0 199.294 1.454 10 0 ADAERN CCCC(=O)N[C@H]1CCCC[C@H]1CO 225665412 491042199 /nfs/dbraw/zinc/04/21/99/491042199.db2.gz OLAJUHAVRLJSBP-UWVGGRQHSA-N 0 0 199.294 1.454 10 0 ADAERN CCCC(=O)N[C@@H]1CCCC[C@@H]1CO 225665317 491042207 /nfs/dbraw/zinc/04/22/07/491042207.db2.gz OLAJUHAVRLJSBP-NXEZZACHSA-N 0 0 199.294 1.454 10 0 ADAERN CCCC(=O)N[C@@H]1CCCC[C@H]1CO 225665378 491042218 /nfs/dbraw/zinc/04/22/18/491042218.db2.gz OLAJUHAVRLJSBP-VHSXEESVSA-N 0 0 199.294 1.454 10 0 ADAERN COc1ccc(NCC2CC2)nc1 225894859 491042302 /nfs/dbraw/zinc/04/23/02/491042302.db2.gz HKUZTKHHWQOKBW-UHFFFAOYSA-N 0 0 178.235 1.912 10 0 ADAERN COC[C@H](C)Nc1ccc(OC)cn1 225834115 491042304 /nfs/dbraw/zinc/04/23/04/491042304.db2.gz HUWPXQRWTQSCKN-QMMMGPOBSA-N 0 0 196.250 1.537 10 0 ADAERN COC[C@@H](C)Nc1ccc(OC)cn1 225834090 491042327 /nfs/dbraw/zinc/04/23/27/491042327.db2.gz HUWPXQRWTQSCKN-MRVPVSSYSA-N 0 0 196.250 1.537 10 0 ADAERN CC(C)(O)C(C)(C)NC(=O)CC1CC1 225921836 491042345 /nfs/dbraw/zinc/04/23/45/491042345.db2.gz GLIFWTQTOJMNKI-UHFFFAOYSA-N 0 0 199.294 1.452 10 0 ADAERN COc1ccc(N[C@@H]2CCOC2)nc1 225895144 491042353 /nfs/dbraw/zinc/04/23/53/491042353.db2.gz MTGKNFSWWOTWJU-MRVPVSSYSA-N 0 0 194.234 1.291 10 0 ADAERN COc1ccc(N[C@H]2CCOC2)nc1 225895157 491042355 /nfs/dbraw/zinc/04/23/55/491042355.db2.gz MTGKNFSWWOTWJU-QMMMGPOBSA-N 0 0 194.234 1.291 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)NCCCCO 226406437 491042780 /nfs/dbraw/zinc/04/27/80/491042780.db2.gz SGMIELPLAHSPAK-NXEZZACHSA-N 0 0 199.294 1.311 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)NCCCCO 226406442 491042799 /nfs/dbraw/zinc/04/27/99/491042799.db2.gz SGMIELPLAHSPAK-VHSXEESVSA-N 0 0 199.294 1.311 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)NCCCCO 226406431 491042801 /nfs/dbraw/zinc/04/28/01/491042801.db2.gz SGMIELPLAHSPAK-UWVGGRQHSA-N 0 0 199.294 1.311 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)NCCCCO 226406427 491042847 /nfs/dbraw/zinc/04/28/47/491042847.db2.gz SGMIELPLAHSPAK-ZJUUUORDSA-N 0 0 199.294 1.311 10 0 ADAERN OCCCCCNc1cccnn1 228725973 491044759 /nfs/dbraw/zinc/04/47/59/491044759.db2.gz NPCRCUOCGLXVRL-UHFFFAOYSA-N 0 0 181.239 1.051 10 0 ADAERN Cc1cnc([C@H](C)NC(=O)N(C)C)o1 226554889 491042892 /nfs/dbraw/zinc/04/28/92/491042892.db2.gz GWVOJZLOQWYALO-ZETCQYMHSA-N 0 0 197.238 1.315 10 0 ADAERN COC(C)(C)C(=O)N1CC=CCC1 226561535 491042899 /nfs/dbraw/zinc/04/28/99/491042899.db2.gz CTKDDVUULDTEOD-UHFFFAOYSA-N 0 0 183.251 1.200 10 0 ADAERN Cc1cnc([C@@H](C)NC(=O)N(C)C)o1 226554882 491042966 /nfs/dbraw/zinc/04/29/66/491042966.db2.gz GWVOJZLOQWYALO-SSDOTTSWSA-N 0 0 197.238 1.315 10 0 ADAERN CC[C@@](C)(CCO)NC(=O)[C@H]1C[C@@H]1C 226525401 491042969 /nfs/dbraw/zinc/04/29/69/491042969.db2.gz VZRVYPYSUFVNNL-QXEWZRGKSA-N 0 0 199.294 1.310 10 0 ADAERN CCCC(=O)N[C@@H](C)c1ncc(C)o1 226615243 491043024 /nfs/dbraw/zinc/04/30/24/491043024.db2.gz WGIQUDAGUFYVOQ-QMMMGPOBSA-N 0 0 196.250 1.960 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N1CC[C@@H](O)C1 226624012 491043050 /nfs/dbraw/zinc/04/30/50/491043050.db2.gz VLXOULHXXLOGOC-IVZWLZJFSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N1CC[C@@H](O)C1 226624001 491043054 /nfs/dbraw/zinc/04/30/54/491043054.db2.gz VLXOULHXXLOGOC-AEJSXWLSSA-N 0 0 197.278 1.016 10 0 ADAERN CCCC(=O)N[C@H](C)c1ncc(C)o1 226615251 491043057 /nfs/dbraw/zinc/04/30/57/491043057.db2.gz WGIQUDAGUFYVOQ-MRVPVSSYSA-N 0 0 196.250 1.960 10 0 ADAERN CO[C@@H](C)C(=O)NCC1(C)CCC1 226821632 491043087 /nfs/dbraw/zinc/04/30/87/491043087.db2.gz UDSAAIBUKPVTCQ-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN COC(C)(C)C(=O)NCC1(C)CCC1 226822287 491043090 /nfs/dbraw/zinc/04/30/90/491043090.db2.gz PYQLBLDPGRGSHZ-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CCOCC(=O)NCC1(C)CCC1 226821913 491043112 /nfs/dbraw/zinc/04/31/12/491043112.db2.gz WAXIGEVWHSVFPJ-UHFFFAOYSA-N 0 0 185.267 1.329 10 0 ADAERN Cn1cc(C[NH2+]CC2(C)CCC2)nn1 226787766 491043119 /nfs/dbraw/zinc/04/31/19/491043119.db2.gz ITFCDNCVWWIDEB-UHFFFAOYSA-N 0 0 194.282 1.095 10 0 ADAERN CC(C)OCC(=O)NCC1(C)CCC1 226821866 491043137 /nfs/dbraw/zinc/04/31/37/491043137.db2.gz DUGNXYOSQAAUTP-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CO[C@H](C)C(=O)NCC1(C)CCC1 226821641 491043148 /nfs/dbraw/zinc/04/31/48/491043148.db2.gz UDSAAIBUKPVTCQ-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CCCOCC(=O)NCC1(C)CCC1 226822058 491043153 /nfs/dbraw/zinc/04/31/53/491043153.db2.gz KPFJJTAUURKCGK-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CCCNC(=O)NCC1(C)CCC1 226777932 491043188 /nfs/dbraw/zinc/04/31/88/491043188.db2.gz GJPHQRSUFMDLMW-UHFFFAOYSA-N 0 0 184.283 1.886 10 0 ADAERN CCC1(CNC(=O)C(C)(C)OC)CC1 226820893 491043205 /nfs/dbraw/zinc/04/32/05/491043205.db2.gz QSZANNNPVJLOGU-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)C(C)(C)OC 227006352 491043251 /nfs/dbraw/zinc/04/32/51/491043251.db2.gz IINLSMKLWPWZLQ-HTQZYQBOSA-N 0 0 185.267 1.326 10 0 ADAERN CC(=O)CCC(=O)NCC1(C)CCC1 227031474 491043283 /nfs/dbraw/zinc/04/32/83/491043283.db2.gz NKZKENJFIPCPCR-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN CN(CCCCCO)c1cccnn1 227110308 491043430 /nfs/dbraw/zinc/04/34/30/491043430.db2.gz UICMVNKDFZKORM-UHFFFAOYSA-N 0 0 195.266 1.075 10 0 ADAERN Cc1cccc(N[C@H](C)[C@H](C)CO)n1 228740382 491044816 /nfs/dbraw/zinc/04/48/16/491044816.db2.gz KLEBQJWCEQDQOY-PSASIEDQSA-N 0 0 194.278 1.819 10 0 ADAERN C[C@@H](O)CCCNc1cccnn1 227999526 491044149 /nfs/dbraw/zinc/04/41/49/491044149.db2.gz FBUBFYQEOOVOBY-MRVPVSSYSA-N 0 0 181.239 1.050 10 0 ADAERN CC(C)(O)C(C)(C)NCC(F)F 227346875 491043606 /nfs/dbraw/zinc/04/36/06/491043606.db2.gz GQPPGNWBHJZYBG-UHFFFAOYSA-N 0 0 181.226 1.391 10 0 ADAERN C[C@H](O)CCCNc1cccnn1 227999536 491044213 /nfs/dbraw/zinc/04/42/13/491044213.db2.gz FBUBFYQEOOVOBY-QMMMGPOBSA-N 0 0 181.239 1.050 10 0 ADAERN CCCCOC[C@H](O)Cn1cccn1 227908395 491043971 /nfs/dbraw/zinc/04/39/71/491043971.db2.gz WFFNOAJFXHSCRY-SNVBAGLBSA-N 0 0 198.266 1.061 10 0 ADAERN CCCCOC[C@@H](O)Cn1cccn1 227908391 491044030 /nfs/dbraw/zinc/04/40/30/491044030.db2.gz WFFNOAJFXHSCRY-JTQLQIEISA-N 0 0 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10 0 ADAERN COCC(C)(C)CN1CC(F)C1 307987977 491074702 /nfs/dbraw/zinc/07/47/02/491074702.db2.gz RUOSGEPHJHQKEU-UHFFFAOYSA-N 0 0 175.247 1.313 10 0 ADAERN CCCCNS(=O)(=O)CC1CC1 307986174 491074714 /nfs/dbraw/zinc/07/47/14/491074714.db2.gz RDEKCOCPPKCGRE-UHFFFAOYSA-N 0 0 191.296 1.116 10 0 ADAERN CCCN(CC)C(=O)C1=CCC1 307987432 491074726 /nfs/dbraw/zinc/07/47/26/491074726.db2.gz RSDCBRWPPXAEGZ-UHFFFAOYSA-N 0 0 167.252 1.965 10 0 ADAERN CCN(CCC1CC1)S(C)(=O)=O 308027606 491076194 /nfs/dbraw/zinc/07/61/94/491076194.db2.gz HRZIGYUJZHGUNB-UHFFFAOYSA-N 0 0 191.296 1.068 10 0 ADAERN COCCCSc1cccnn1 307995341 491075111 /nfs/dbraw/zinc/07/51/11/491075111.db2.gz WBAFAUYRKCIAAC-UHFFFAOYSA-N 0 0 184.264 1.605 10 0 ADAERN C/C=C/CS(=O)(=O)CCC1CC1 308027605 491076250 /nfs/dbraw/zinc/07/62/50/491076250.db2.gz HRYVIYUQLYUROU-NSCUHMNNSA-N 0 0 188.292 1.777 10 0 ADAERN C=Cn1cc(CNCCF)cn1 307999851 491075381 /nfs/dbraw/zinc/07/53/81/491075381.db2.gz GGYKAAKYSZXJRS-UHFFFAOYSA-N 0 0 169.203 1.043 10 0 ADAERN COCc1nnc(NCCF)s1 308000423 491075400 /nfs/dbraw/zinc/07/54/00/491075400.db2.gz ZEMXIIGPDQWKDO-UHFFFAOYSA-N 0 0 191.231 1.066 10 0 ADAERN CCNC(=O)C(C1CC1)C1CC1 307998595 491075404 /nfs/dbraw/zinc/07/54/04/491075404.db2.gz FEBRGKIZVFMYER-UHFFFAOYSA-N 0 0 167.252 1.559 10 0 ADAERN CCCNC(=O)C1(CCF)CC1 308000579 491075435 /nfs/dbraw/zinc/07/54/35/491075435.db2.gz ZHSDBNVUUAZFLG-UHFFFAOYSA-N 0 0 173.231 1.652 10 0 ADAERN CCC[C@H](C)C(=O)NCCCF 308003845 491075637 /nfs/dbraw/zinc/07/56/37/491075637.db2.gz CHDRGUDVWGOPQH-QMMMGPOBSA-N 0 0 175.247 1.898 10 0 ADAERN CCN(Cc1cocn1)C1CC1 308003517 491075641 /nfs/dbraw/zinc/07/56/41/491075641.db2.gz CAEATXUGUKNMES-UHFFFAOYSA-N 0 0 166.224 1.659 10 0 ADAERN CCC[C@@H](C)C(=O)NCCCF 308003844 491075717 /nfs/dbraw/zinc/07/57/17/491075717.db2.gz CHDRGUDVWGOPQH-MRVPVSSYSA-N 0 0 175.247 1.898 10 0 ADAERN CCCC(=O)N1CC(C(C)C)C1 308027243 491076286 /nfs/dbraw/zinc/07/62/86/491076286.db2.gz HQRPBJVEBFGXLO-UHFFFAOYSA-N 0 0 169.268 1.901 10 0 ADAERN Cc1nnc([C@@H](C)NCCF)s1 308007998 491075823 /nfs/dbraw/zinc/07/58/23/491075823.db2.gz DYHRDCLKMTYXLM-RXMQYKEDSA-N 0 0 189.259 1.467 10 0 ADAERN Cn1ccc(NCCCCF)n1 308006608 491075826 /nfs/dbraw/zinc/07/58/26/491075826.db2.gz DJVQIRUXBUEXJP-UHFFFAOYSA-N 0 0 171.219 1.582 10 0 ADAERN C/C=C\CS(=O)(=O)CCC1CC1 308027604 491076301 /nfs/dbraw/zinc/07/63/01/491076301.db2.gz HRYVIYUQLYUROU-IHWYPQMZSA-N 0 0 188.292 1.777 10 0 ADAERN CCN(C)S(=O)(=O)CCCCF 308006850 491075844 /nfs/dbraw/zinc/07/58/44/491075844.db2.gz HTAHUMCWWLUWPE-UHFFFAOYSA-N 0 0 197.275 1.018 10 0 ADAERN Cc1nnc([C@H](C)NCCF)s1 308008007 491075932 /nfs/dbraw/zinc/07/59/32/491075932.db2.gz DYHRDCLKMTYXLM-YFKPBYRVSA-N 0 0 189.259 1.467 10 0 ADAERN CC(C)CNC(=O)CCC(F)F 308030742 491076531 /nfs/dbraw/zinc/07/65/31/491076531.db2.gz IWACKCWGDIFSJG-UHFFFAOYSA-N 0 0 179.210 1.804 10 0 ADAERN CCC(=O)NCCC1(F)CCC1 308038866 491076633 /nfs/dbraw/zinc/07/66/33/491076633.db2.gz MELHHCSDKZPKQH-UHFFFAOYSA-N 0 0 173.231 1.795 10 0 ADAERN CC[C@H](C)NC(=O)CCC(F)F 308051650 491076922 /nfs/dbraw/zinc/07/69/22/491076922.db2.gz SGUKBRAHNVOGBJ-LURJTMIESA-N 0 0 179.210 1.946 10 0 ADAERN CCCN(CC)c1cccnn1 308054750 491076952 /nfs/dbraw/zinc/07/69/52/491076952.db2.gz UCMKNNHZJOUMRL-UHFFFAOYSA-N 0 0 165.240 1.713 10 0 ADAERN CC[C@@H](C)NC(=O)CCC(F)F 308051651 491077048 /nfs/dbraw/zinc/07/70/48/491077048.db2.gz SGUKBRAHNVOGBJ-ZCFIWIBFSA-N 0 0 179.210 1.946 10 0 ADAERN CCCC(=O)N(C)c1nncs1 308059888 491077184 /nfs/dbraw/zinc/07/71/84/491077184.db2.gz VWPMESGFFWIFID-UHFFFAOYSA-N 0 0 185.252 1.301 10 0 ADAERN CC[C@H](C)N(C)Cc1nc[nH]n1 308064743 491077359 /nfs/dbraw/zinc/07/73/59/491077359.db2.gz XZQAQAYYEQNODQ-ZETCQYMHSA-N 0 0 168.244 1.035 10 0 ADAERN CC[C@@H](C)N(C)Cc1nc[nH]n1 308064742 491077415 /nfs/dbraw/zinc/07/74/15/491077415.db2.gz XZQAQAYYEQNODQ-SSDOTTSWSA-N 0 0 168.244 1.035 10 0 ADAERN O=C(NCCCF)c1ccoc1 308077470 491077494 /nfs/dbraw/zinc/07/74/94/491077494.db2.gz GMDRICREONTJOS-UHFFFAOYSA-N 0 0 171.171 1.369 10 0 ADAERN CCOCCSc1ncccn1 308072089 491077500 /nfs/dbraw/zinc/07/75/00/491077500.db2.gz BEDDTWNLYOJOQV-UHFFFAOYSA-N 0 0 184.264 1.605 10 0 ADAERN O=C(CC1CCC1)NCC(F)F 308077500 491077584 /nfs/dbraw/zinc/07/75/84/491077584.db2.gz GPHNEYOBQAGCJX-UHFFFAOYSA-N 0 0 177.194 1.558 10 0 ADAERN CCOCCn1cc(C)nc1C 308075032 491077642 /nfs/dbraw/zinc/07/76/42/491077642.db2.gz COOGOAMAMGBTRN-UHFFFAOYSA-N 0 0 168.240 1.536 10 0 ADAERN CC(C)N(CC(F)F)C[C@@H](C)CO 308079608 491077724 /nfs/dbraw/zinc/07/77/24/491077724.db2.gz FPWUHJXUENFLCO-MRVPVSSYSA-N 0 0 195.253 1.590 10 0 ADAERN O=C(CCC(F)F)N1CC(F)C1 308085949 491077733 /nfs/dbraw/zinc/07/77/33/491077733.db2.gz NXUGHNIEHQNAEN-UHFFFAOYSA-N 0 0 181.157 1.212 10 0 ADAERN O=C(NCCCF)C1CC=CC1 308078067 491077735 /nfs/dbraw/zinc/07/77/35/491077735.db2.gz GXHSUGRUYBFMRP-UHFFFAOYSA-N 0 0 171.215 1.428 10 0 ADAERN Cn1cnnc1SCCCCF 308079321 491077782 /nfs/dbraw/zinc/07/77/82/491077782.db2.gz HWTJSZQBBYYRGW-UHFFFAOYSA-N 0 0 189.259 1.657 10 0 ADAERN FC1(CNCc2ccco2)CC1 308088485 491077831 /nfs/dbraw/zinc/07/78/31/491077831.db2.gz QXTIQOBNLMPQPV-UHFFFAOYSA-N 0 0 169.199 1.871 10 0 ADAERN FC1(CNCc2cc[nH]n2)CC1 308086279 491077853 /nfs/dbraw/zinc/07/78/53/491077853.db2.gz OKFUXJLGTNBBKN-UHFFFAOYSA-N 0 0 169.203 1.001 10 0 ADAERN CC(C)N(CC(F)F)C[C@H](C)CO 308079609 491077855 /nfs/dbraw/zinc/07/78/55/491077855.db2.gz FPWUHJXUENFLCO-QMMMGPOBSA-N 0 0 195.253 1.590 10 0 ADAERN O=C(CCC(F)F)NC1CCC1 308092383 491078156 /nfs/dbraw/zinc/07/81/56/491078156.db2.gz UYDDGNGQGPQLOB-UHFFFAOYSA-N 0 0 177.194 1.700 10 0 ADAERN O=C(NCCF)C1(CCF)CC1 308096865 491078174 /nfs/dbraw/zinc/07/81/74/491078174.db2.gz ZMMALMVFDNFBRW-UHFFFAOYSA-N 0 0 177.194 1.212 10 0 ADAERN C[C@@H](NCCF)c1cncc(F)c1 308129450 491078946 /nfs/dbraw/zinc/07/89/46/491078946.db2.gz BGRNPYVLBOAAAK-SSDOTTSWSA-N 0 0 186.205 1.841 10 0 ADAERN CCCCNC(=O)N[C@@H]1CC[C@H]1C 308131507 491079182 /nfs/dbraw/zinc/07/91/82/491079182.db2.gz FBLCDHKZHGZCNC-RKDXNWHRSA-N 0 0 184.283 1.884 10 0 ADAERN CC(C)[C@H](C)NC(=O)[C@H](O)C(C)C 308132076 491079189 /nfs/dbraw/zinc/07/91/89/491079189.db2.gz BNKHLRHDCQMCGO-DTWKUNHWSA-N 0 0 187.283 1.164 10 0 ADAERN CC(C)COCCC(=O)NCCF 308130953 491079200 /nfs/dbraw/zinc/07/92/00/491079200.db2.gz AVRUVGQWXCTOPH-UHFFFAOYSA-N 0 0 191.246 1.135 10 0 ADAERN CCCCNC(=O)N[C@@H]1CC[C@@H]1C 308131503 491079212 /nfs/dbraw/zinc/07/92/12/491079212.db2.gz FBLCDHKZHGZCNC-DTWKUNHWSA-N 0 0 184.283 1.884 10 0 ADAERN CCCCNC(=O)N[C@H]1CC[C@H]1C 308131501 491079213 /nfs/dbraw/zinc/07/92/13/491079213.db2.gz FBLCDHKZHGZCNC-BDAKNGLRSA-N 0 0 184.283 1.884 10 0 ADAERN CCCCNC(=O)N[C@H]1CC[C@@H]1C 308131505 491079220 /nfs/dbraw/zinc/07/92/20/491079220.db2.gz FBLCDHKZHGZCNC-IUCAKERBSA-N 0 0 184.283 1.884 10 0 ADAERN CC(C)[C@@H](C)NC(=O)[C@H](O)C(C)C 308132080 491079245 /nfs/dbraw/zinc/07/92/45/491079245.db2.gz BNKHLRHDCQMCGO-RKDXNWHRSA-N 0 0 187.283 1.164 10 0 ADAERN CC(C)CCC(=O)N1CC(F)(F)C1 308133541 491079395 /nfs/dbraw/zinc/07/93/95/491079395.db2.gz CQWHRQFZLJKSOX-UHFFFAOYSA-N 0 0 191.221 1.900 10 0 ADAERN CC(C)N(C)C(=O)C1(CCF)CC1 308153313 491081123 /nfs/dbraw/zinc/08/11/23/491081123.db2.gz PPVKUNSGEHKZIY-UHFFFAOYSA-N 0 0 187.258 1.993 10 0 ADAERN C[C@H](CC(C)(C)C)C(=O)NCCO 308137700 491079745 /nfs/dbraw/zinc/07/97/45/491079745.db2.gz GIVMZKYKRCYOMZ-MRVPVSSYSA-N 0 0 187.283 1.167 10 0 ADAERN CC(C)(NCc1cocn1)C(F)F 308136113 491079863 /nfs/dbraw/zinc/07/98/63/491079863.db2.gz FKHCFUNUFRIPTO-UHFFFAOYSA-N 0 0 190.193 1.808 10 0 ADAERN C[C@@H](CC(C)(C)C)C(=O)NCCO 308137701 491079921 /nfs/dbraw/zinc/07/99/21/491079921.db2.gz GIVMZKYKRCYOMZ-QMMMGPOBSA-N 0 0 187.283 1.167 10 0 ADAERN Cc1nc(C)n(CCCCF)n1 308140007 491079945 /nfs/dbraw/zinc/07/99/45/491079945.db2.gz GSGIDGDCQHFJSF-UHFFFAOYSA-N 0 0 171.219 1.645 10 0 ADAERN CC(C)C(=O)NCCc1ccc[nH]1 308142949 491080190 /nfs/dbraw/zinc/08/01/90/491080190.db2.gz JUZKWLUGGVXCTP-UHFFFAOYSA-N 0 0 180.251 1.329 10 0 ADAERN CC(C)[C@H](C)NC(=O)NCC(F)F 308141931 491080341 /nfs/dbraw/zinc/08/03/41/491080341.db2.gz JELDGGXYJZKZHB-LURJTMIESA-N 0 0 194.225 1.595 10 0 ADAERN CC(C)[C@@H](C)NC(=O)NCC(F)F 308141933 491080362 /nfs/dbraw/zinc/08/03/62/491080362.db2.gz JELDGGXYJZKZHB-ZCFIWIBFSA-N 0 0 194.225 1.595 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N[C@H](C)CO 308144107 491080565 /nfs/dbraw/zinc/08/05/65/491080565.db2.gz KKCYMVHWOTUMAE-RKDXNWHRSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)C[C@H](C)C(=O)N[C@H](C)CO 308144105 491080595 /nfs/dbraw/zinc/08/05/95/491080595.db2.gz KKCYMVHWOTUMAE-DTWKUNHWSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)(NCc1cn[nH]c1)C(F)F 308144888 491080601 /nfs/dbraw/zinc/08/06/01/491080601.db2.gz LADZWTSLUHTULN-UHFFFAOYSA-N 0 0 189.209 1.543 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N[C@@H](C)CO 308143800 491080628 /nfs/dbraw/zinc/08/06/28/491080628.db2.gz KKCYMVHWOTUMAE-BDAKNGLRSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)C[C@H](C)C(=O)N[C@@H](C)CO 308144106 491080654 /nfs/dbraw/zinc/08/06/54/491080654.db2.gz KKCYMVHWOTUMAE-IUCAKERBSA-N 0 0 187.283 1.166 10 0 ADAERN CCC1(C(=O)NCC[C@@H](C)O)CC1 308146516 491080702 /nfs/dbraw/zinc/08/07/02/491080702.db2.gz OKAWGBUVKNNJQE-MRVPVSSYSA-N 0 0 185.267 1.064 10 0 ADAERN CCC[C@@H](C)CN1CC(=O)N(C)C1 308145798 491080713 /nfs/dbraw/zinc/08/07/13/491080713.db2.gz ABIGGYTVNWIOQR-SECBINFHSA-N 0 0 184.283 1.154 10 0 ADAERN COC[C@@H](C)C(=O)NCC=C(C)C 308145812 491080777 /nfs/dbraw/zinc/08/07/77/491080777.db2.gz ACBIAXKPVCOWOU-SECBINFHSA-N 0 0 185.267 1.351 10 0 ADAERN COC[C@H](C)C(=O)NCC=C(C)C 308145813 491080854 /nfs/dbraw/zinc/08/08/54/491080854.db2.gz ACBIAXKPVCOWOU-VIFPVBQESA-N 0 0 185.267 1.351 10 0 ADAERN CCC[C@H](C)CN1CC(=O)N(C)C1 308145799 491080866 /nfs/dbraw/zinc/08/08/66/491080866.db2.gz ABIGGYTVNWIOQR-VIFPVBQESA-N 0 0 184.283 1.154 10 0 ADAERN CCOCc1csc(N(C)C)n1 308148603 491080927 /nfs/dbraw/zinc/08/09/27/491080927.db2.gz LNEWSTCGNCLSSW-UHFFFAOYSA-N 0 0 186.280 1.746 10 0 ADAERN CCCC(=O)N(C)Cc1ccc[nH]1 308153127 491081212 /nfs/dbraw/zinc/08/12/12/491081212.db2.gz AEEHNZZFFUPHAD-UHFFFAOYSA-N 0 0 180.251 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/nfs/dbraw/zinc/10/49/74/491104974.db2.gz BESMJPXDDDCCKD-SECBINFHSA-N 0 0 187.283 1.431 10 0 ADAERN COC[C@H](C)C(=O)N1[C@@H](C)C[C@@H]1C 308448527 491104976 /nfs/dbraw/zinc/10/49/76/491104976.db2.gz CGFRVINYFVRDPF-CIUDSAMLSA-N 0 0 185.267 1.278 10 0 ADAERN CCCc1nc(C(=O)NCC)co1 308453838 491105091 /nfs/dbraw/zinc/10/50/91/491105091.db2.gz FHZOQTHQYAHAKW-UHFFFAOYSA-N 0 0 182.223 1.377 10 0 ADAERN CC[C@H](N[C@H](C)COC)C(F)(F)F 308453814 491105183 /nfs/dbraw/zinc/10/51/83/491105183.db2.gz FGYWXQIBRIVNKG-RQJHMYQMSA-N 0 0 199.216 1.952 10 0 ADAERN CC[C@H](N[C@@H](C)COC)C(F)(F)F 308453813 491105235 /nfs/dbraw/zinc/10/52/35/491105235.db2.gz FGYWXQIBRIVNKG-BQBZGAKWSA-N 0 0 199.216 1.952 10 0 ADAERN CN(CC1=CCCOC1)CC(F)F 308460409 491105418 /nfs/dbraw/zinc/10/54/18/491105418.db2.gz HHOQBOXTEHZGKY-UHFFFAOYSA-N 0 0 191.221 1.530 10 0 ADAERN COC[C@H](C)C(=O)N[C@H]1CC[C@@H]1C 308482380 491106535 /nfs/dbraw/zinc/10/65/35/491106535.db2.gz NSLAXDHQDSRYGQ-CIUDSAMLSA-N 0 0 185.267 1.184 10 0 ADAERN 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COC[C@@H](C)C(=O)NCC1(C)CC1 308478074 491106142 /nfs/dbraw/zinc/10/61/42/491106142.db2.gz MLRVEGBJXHLHKG-MRVPVSSYSA-N 0 0 185.267 1.185 10 0 ADAERN COC[C@H](C)C(=O)NCC1(C)CC1 308478077 491106185 /nfs/dbraw/zinc/10/61/85/491106185.db2.gz MLRVEGBJXHLHKG-QMMMGPOBSA-N 0 0 185.267 1.185 10 0 ADAERN CN(CCC1CC1)c1cccnn1 308474763 491106259 /nfs/dbraw/zinc/10/62/59/491106259.db2.gz LOZMNVRDYWAUJA-UHFFFAOYSA-N 0 0 177.251 1.713 10 0 ADAERN Cc1cnc(CCN(C)C(N)=O)s1 308478047 491106275 /nfs/dbraw/zinc/10/62/75/491106275.db2.gz MLADEFGIZNLHAW-UHFFFAOYSA-N 0 0 199.279 1.005 10 0 ADAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@H]1C 308482381 491106501 /nfs/dbraw/zinc/10/65/01/491106501.db2.gz NSLAXDHQDSRYGQ-HRDYMLBCSA-N 0 0 185.267 1.184 10 0 ADAERN COC[C@H](C)C(=O)N[C@H]1CC[C@H]1C 308482382 491106531 /nfs/dbraw/zinc/10/65/31/491106531.db2.gz NSLAXDHQDSRYGQ-VGMNWLOBSA-N 0 0 185.267 1.184 10 0 ADAERN CCCC1(C(=O)N2CC(CO)C2)CC1 308480017 491106562 /nfs/dbraw/zinc/10/65/62/491106562.db2.gz GMFTTYHHWSENDW-UHFFFAOYSA-N 0 0 197.278 1.017 10 0 ADAERN COC[C@H](C)C(=O)N[C@@H]1CC[C@@H]1C 308482383 491106573 /nfs/dbraw/zinc/10/65/73/491106573.db2.gz NSLAXDHQDSRYGQ-XHNCKOQMSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)CCC(F)F 308478746 491106590 /nfs/dbraw/zinc/10/65/90/491106590.db2.gz MPQZSSCOHBTJPM-RNFRBKRXSA-N 0 0 191.221 1.946 10 0 ADAERN CN(CCCCO)C(=O)C1CCC1 308482983 491106739 /nfs/dbraw/zinc/10/67/39/491106739.db2.gz NXXKIFOWEUACEU-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN COC[C@@H](C)C(=O)NC1(C)CCC1 308483774 491106770 /nfs/dbraw/zinc/10/67/70/491106770.db2.gz OHIVQIAJPDPLOF-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN COC[C@H](C)C(=O)NC1(C)CCC1 308483775 491106809 /nfs/dbraw/zinc/10/68/09/491106809.db2.gz OHIVQIAJPDPLOF-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CCC1(C(=O)NC[C@H]2C[C@@H]2C)CC1 308487014 491106942 /nfs/dbraw/zinc/10/69/42/491106942.db2.gz POGTZQTYGILJLQ-DTWKUNHWSA-N 0 0 181.279 1.949 10 0 ADAERN CCC1(C(=O)NC[C@H]2C[C@H]2C)CC1 308487030 491106956 /nfs/dbraw/zinc/10/69/56/491106956.db2.gz POGTZQTYGILJLQ-RKDXNWHRSA-N 0 0 181.279 1.949 10 0 ADAERN CCC1(C(=O)NC[C@@H]2C[C@@H]2C)CC1 308487023 491107046 /nfs/dbraw/zinc/10/70/46/491107046.db2.gz POGTZQTYGILJLQ-IUCAKERBSA-N 0 0 181.279 1.949 10 0 ADAERN CCC1(C(=O)NC[C@@H]2C[C@H]2C)CC1 308487007 491107154 /nfs/dbraw/zinc/10/71/54/491107154.db2.gz POGTZQTYGILJLQ-BDAKNGLRSA-N 0 0 181.279 1.949 10 0 ADAERN c1nc(CNCCOCC2CC2)co1 308491777 491107302 /nfs/dbraw/zinc/10/73/02/491107302.db2.gz BXXASIIAEYPMHA-UHFFFAOYSA-N 0 0 196.250 1.191 10 0 ADAERN CCN(C)C(=O)N[C@@H](C)[C@@H](C)OC 308490562 491107374 /nfs/dbraw/zinc/10/73/74/491107374.db2.gz QYMZLWFPGSOTIP-JGVFFNPUSA-N 0 0 188.271 1.071 10 0 ADAERN CCN(C)C(=O)N[C@@H](C)[C@H](C)OC 308490564 491107401 /nfs/dbraw/zinc/10/74/01/491107401.db2.gz QYMZLWFPGSOTIP-YUMQZZPRSA-N 0 0 188.271 1.071 10 0 ADAERN CCNC(=O)CCc1ccc(C)o1 308494254 491107586 /nfs/dbraw/zinc/10/75/86/491107586.db2.gz SOTJWSXPUICTCS-UHFFFAOYSA-N 0 0 181.235 1.657 10 0 ADAERN CC(C)(C)C[NH2+]Cc1ncccc1[O-] 308493582 491107587 /nfs/dbraw/zinc/10/75/87/491107587.db2.gz CMTPNJQNEWQMBM-UHFFFAOYSA-N 0 0 194.278 1.923 10 0 ADAERN c1nc(CNC[C@@H]2CCCCO2)co1 308495864 491107719 /nfs/dbraw/zinc/10/77/19/491107719.db2.gz ACXRGMBOCGKJCF-JTQLQIEISA-N 0 0 196.250 1.333 10 0 ADAERN c1nc(CNC[C@H]2CCCCO2)co1 308495867 491107774 /nfs/dbraw/zinc/10/77/74/491107774.db2.gz ACXRGMBOCGKJCF-SNVBAGLBSA-N 0 0 196.250 1.333 10 0 ADAERN CC(C)[C@@H](C)[NH2+]Cc1ncccc1[O-] 308496359 491107927 /nfs/dbraw/zinc/10/79/27/491107927.db2.gz DJHPZRKKKIJWDE-SECBINFHSA-N 0 0 194.278 1.921 10 0 ADAERN CC(C)[C@H](C)[NH2+]Cc1ncccc1[O-] 308496360 491107933 /nfs/dbraw/zinc/10/79/33/491107933.db2.gz DJHPZRKKKIJWDE-VIFPVBQESA-N 0 0 194.278 1.921 10 0 ADAERN COCCN(C)C(=O)C1CC(C)C1 308498675 491108060 /nfs/dbraw/zinc/10/80/60/491108060.db2.gz VKJGZXWWLCWYEO-UHFFFAOYSA-N 0 0 185.267 1.137 10 0 ADAERN C[N@H+](CCCF)Cc1cnccn1 308497528 491108156 /nfs/dbraw/zinc/10/81/56/491108156.db2.gz USBLQLYXSGIDSC-UHFFFAOYSA-N 0 0 183.230 1.268 10 0 ADAERN CN(CCCF)Cc1nccn1C 308506886 491109188 /nfs/dbraw/zinc/10/91/88/491109188.db2.gz ZQQHUWMRJIUIOI-UHFFFAOYSA-N 0 0 185.246 1.212 10 0 ADAERN CCN(CC(F)F)C(=O)C1=CCC1 308504092 491108735 /nfs/dbraw/zinc/10/87/35/491108735.db2.gz YIRQNPRKZVXFRD-UHFFFAOYSA-N 0 0 189.205 1.820 10 0 ADAERN COCC[C@H](C)NC(=O)C1=CCC1 308505220 491108982 /nfs/dbraw/zinc/10/89/82/491108982.db2.gz YXUVJPAWUFFDAA-QMMMGPOBSA-N 0 0 183.251 1.248 10 0 ADAERN COCC[C@@H](C)NC(=O)C1=CCC1 308505219 491108996 /nfs/dbraw/zinc/10/89/96/491108996.db2.gz YXUVJPAWUFFDAA-MRVPVSSYSA-N 0 0 183.251 1.248 10 0 ADAERN COCC(C)(C)CNc1cccnn1 308520195 491110065 /nfs/dbraw/zinc/11/00/65/491110065.db2.gz XHXZPJYSFUSWJM-UHFFFAOYSA-N 0 0 195.266 1.561 10 0 ADAERN C[C@@H](NCc1ccon1)c1cn[nH]c1 308521213 491110076 /nfs/dbraw/zinc/11/00/76/491110076.db2.gz HUIYGSWTJHRXJO-SSDOTTSWSA-N 0 0 192.222 1.249 10 0 ADAERN C[C@H](NCc1ccon1)c1cn[nH]c1 308521214 491110156 /nfs/dbraw/zinc/11/01/56/491110156.db2.gz HUIYGSWTJHRXJO-ZETCQYMHSA-N 0 0 192.222 1.249 10 0 ADAERN C[C@@H]([NH2+]Cc1ncccc1[O-])C1CC1 308530568 491110518 /nfs/dbraw/zinc/11/05/18/491110518.db2.gz RQHZKUZWQYIUMQ-MRVPVSSYSA-N 0 0 192.262 1.675 10 0 ADAERN CC1(C(=O)N2CC[C@@H](CCO)C2)CC1 308529400 491110521 /nfs/dbraw/zinc/11/05/21/491110521.db2.gz KGVOKRRQRDTWHL-VIFPVBQESA-N 0 0 197.278 1.017 10 0 ADAERN CCc1cc(CC)nc(NCCF)n1 308530201 491110561 /nfs/dbraw/zinc/11/05/61/491110561.db2.gz KNPPPFARWYKSCD-UHFFFAOYSA-N 0 0 197.257 1.983 10 0 ADAERN C[C@H]([NH2+]Cc1ncccc1[O-])C1CC1 308530569 491110564 /nfs/dbraw/zinc/11/05/64/491110564.db2.gz RQHZKUZWQYIUMQ-QMMMGPOBSA-N 0 0 192.262 1.675 10 0 ADAERN CCc1cc(CNCC2(F)CC2)on1 308533577 491110569 /nfs/dbraw/zinc/11/05/69/491110569.db2.gz SBPLOAAHYLNGKA-UHFFFAOYSA-N 0 0 198.241 1.829 10 0 ADAERN CC1(C(=O)N2CC[C@H](CCO)C2)CC1 308529399 491110577 /nfs/dbraw/zinc/11/05/77/491110577.db2.gz KGVOKRRQRDTWHL-SECBINFHSA-N 0 0 197.278 1.017 10 0 ADAERN C/C=C/C[C@H](CO)NCc1cocn1 308547160 491111062 /nfs/dbraw/zinc/11/10/62/491111062.db2.gz WAIQBWZCFPNJJH-GKQMSVHHSA-N 0 0 196.250 1.091 10 0 ADAERN CC(C)CNCc1noc(C2CC2)n1 308544899 491111091 /nfs/dbraw/zinc/11/10/91/491111091.db2.gz VQYWAMWWXHGFDN-UHFFFAOYSA-N 0 0 195.266 1.693 10 0 ADAERN C/C=C/C[C@@H](CO)NCc1cocn1 308547161 491111110 /nfs/dbraw/zinc/11/11/10/491111110.db2.gz WAIQBWZCFPNJJH-HPOULIHZSA-N 0 0 196.250 1.091 10 0 ADAERN C/C=C\C[C@@H](CO)NCc1cocn1 308547163 491111127 /nfs/dbraw/zinc/11/11/27/491111127.db2.gz WAIQBWZCFPNJJH-XADBCAIWSA-N 0 0 196.250 1.091 10 0 ADAERN C/C=C\C[C@H](CO)NCc1cocn1 308547162 491111131 /nfs/dbraw/zinc/11/11/31/491111131.db2.gz WAIQBWZCFPNJJH-PKRMOACSSA-N 0 0 196.250 1.091 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)COC(C)(C)C 308562250 491111661 /nfs/dbraw/zinc/11/16/61/491111661.db2.gz YEHOPPHNKAMUCL-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)COC(C)(C)C 308562252 491111666 /nfs/dbraw/zinc/11/16/66/491111666.db2.gz YEHOPPHNKAMUCL-RKDXNWHRSA-N 0 0 199.294 1.716 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)COC(C)(C)C 308562251 491111690 /nfs/dbraw/zinc/11/16/90/491111690.db2.gz YEHOPPHNKAMUCL-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN COC[C@@H](NCCF)c1ccccc1 308559312 491111715 /nfs/dbraw/zinc/11/17/15/491111715.db2.gz UZPNNZZQBXGDNO-LLVKDONJSA-N 0 0 197.253 1.933 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)COC(C)(C)C 308562249 491111732 /nfs/dbraw/zinc/11/17/32/491111732.db2.gz YEHOPPHNKAMUCL-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN COC[C@H](NCCF)c1ccccc1 308559313 491111798 /nfs/dbraw/zinc/11/17/98/491111798.db2.gz UZPNNZZQBXGDNO-NSHDSACASA-N 0 0 197.253 1.933 10 0 ADAERN O=C(Cc1cccc(O)c1)NCCF 308567208 491111832 /nfs/dbraw/zinc/11/18/32/491111832.db2.gz YYIYZJYGLIZLEF-UHFFFAOYSA-N 0 0 197.209 1.020 10 0 ADAERN C[C@@H](NCc1ccno1)c1cn[nH]c1 308564553 491111879 /nfs/dbraw/zinc/11/18/79/491111879.db2.gz XSJUAJDRSORTFV-SSDOTTSWSA-N 0 0 192.222 1.249 10 0 ADAERN C[C@H](NCc1ccno1)c1cn[nH]c1 308564555 491111930 /nfs/dbraw/zinc/11/19/30/491111930.db2.gz XSJUAJDRSORTFV-ZETCQYMHSA-N 0 0 192.222 1.249 10 0 ADAERN CO[C@@H](CNCc1cocn1)C(C)C 308575743 491112201 /nfs/dbraw/zinc/11/22/01/491112201.db2.gz DJQXXHLFVJRBIJ-JTQLQIEISA-N 0 0 198.266 1.435 10 0 ADAERN CO[C@H](CNCc1cocn1)C(C)C 308575745 491112316 /nfs/dbraw/zinc/11/23/16/491112316.db2.gz DJQXXHLFVJRBIJ-SNVBAGLBSA-N 0 0 198.266 1.435 10 0 ADAERN CCOC[C@H](C)Nc1cncc(C)n1 308587590 491113055 /nfs/dbraw/zinc/11/30/55/491113055.db2.gz IXKCEZBTCJTUPY-VIFPVBQESA-N 0 0 195.266 1.622 10 0 ADAERN Cn1cnc(CNCC2(C)CCC2)n1 308588114 491113095 /nfs/dbraw/zinc/11/30/95/491113095.db2.gz TXXZUNKQJLFRLH-UHFFFAOYSA-N 0 0 194.282 1.095 10 0 ADAERN C[C@@H]1C[C@H]1C[NH2+]Cc1ncccc1[O-] 308594411 491113437 /nfs/dbraw/zinc/11/34/37/491113437.db2.gz LUCKVRHNUCOKDP-BDAKNGLRSA-N 0 0 192.262 1.533 10 0 ADAERN CCCCNc1cc(CO)c(F)cn1 308595231 491113444 /nfs/dbraw/zinc/11/34/44/491113444.db2.gz MEMOCSKKSZJNSZ-UHFFFAOYSA-N 0 0 198.241 1.925 10 0 ADAERN C[C@@H]1C[C@@H]1C[NH2+]Cc1ncccc1[O-] 308594415 491113484 /nfs/dbraw/zinc/11/34/84/491113484.db2.gz LUCKVRHNUCOKDP-RKDXNWHRSA-N 0 0 192.262 1.533 10 0 ADAERN C[C@H]1C[C@H]1C[NH2+]Cc1ncccc1[O-] 308594414 491113523 /nfs/dbraw/zinc/11/35/23/491113523.db2.gz LUCKVRHNUCOKDP-IUCAKERBSA-N 0 0 192.262 1.533 10 0 ADAERN CCCc1nnc(NCC2(F)CC2)o1 308594453 491113558 /nfs/dbraw/zinc/11/35/58/491113558.db2.gz LUZYRHDCUVXERW-UHFFFAOYSA-N 0 0 199.229 1.936 10 0 ADAERN C[C@H]1C[C@@H]1C[NH2+]Cc1ncccc1[O-] 308594412 491113574 /nfs/dbraw/zinc/11/35/74/491113574.db2.gz LUCKVRHNUCOKDP-DTWKUNHWSA-N 0 0 192.262 1.533 10 0 ADAERN CO[C@H](C)c1cccc(NCCO)c1 308599124 491113796 /nfs/dbraw/zinc/11/37/96/491113796.db2.gz NRUVKJWWHAXODD-SECBINFHSA-N 0 0 195.262 1.798 10 0 ADAERN CO[C@@H](C)c1cccc(NCCO)c1 308599126 491113820 /nfs/dbraw/zinc/11/38/20/491113820.db2.gz NRUVKJWWHAXODD-VIFPVBQESA-N 0 0 195.262 1.798 10 0 ADAERN COC[C@@H](C)CNc1cnn(C)c1C 308610541 491114127 /nfs/dbraw/zinc/11/41/27/491114127.db2.gz QMSBRCKLRFNUFR-QMMMGPOBSA-N 0 0 197.282 1.423 10 0 ADAERN COC[C@H](C)CNc1cnn(C)c1C 308610540 491114161 /nfs/dbraw/zinc/11/41/61/491114161.db2.gz QMSBRCKLRFNUFR-MRVPVSSYSA-N 0 0 197.282 1.423 10 0 ADAERN C[C@H](CO)CNc1cccc(CO)c1 308605925 491114190 /nfs/dbraw/zinc/11/41/90/491114190.db2.gz BTRZTRQLANUWQH-VIFPVBQESA-N 0 0 195.262 1.219 10 0 ADAERN C[C@@H](CO)CNc1cccc(CO)c1 308605924 491114212 /nfs/dbraw/zinc/11/42/12/491114212.db2.gz BTRZTRQLANUWQH-SECBINFHSA-N 0 0 195.262 1.219 10 0 ADAERN CCC1(C(=O)N[C@H](C)[C@@H](C)CO)CC1 308615529 491114437 /nfs/dbraw/zinc/11/44/37/491114437.db2.gz RRHLDRXATRTXMV-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN CCC1(C(=O)N[C@@H](C)[C@@H](C)CO)CC1 308615531 491114490 /nfs/dbraw/zinc/11/44/90/491114490.db2.gz RRHLDRXATRTXMV-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN CCC1(C(=O)N[C@@H](C)[C@H](C)CO)CC1 308615527 491114495 /nfs/dbraw/zinc/11/44/95/491114495.db2.gz RRHLDRXATRTXMV-BDAKNGLRSA-N 0 0 199.294 1.310 10 0 ADAERN CCC1(C(=O)N[C@H](C)[C@H](C)CO)CC1 308615533 491114502 /nfs/dbraw/zinc/11/45/02/491114502.db2.gz RRHLDRXATRTXMV-RKDXNWHRSA-N 0 0 199.294 1.310 10 0 ADAERN COc1c(O)cccc1CNCCF 308633678 491115182 /nfs/dbraw/zinc/11/51/82/491115182.db2.gz AELZXVIFAUNTQE-UHFFFAOYSA-N 0 0 199.225 1.460 10 0 ADAERN COC(=O)C1=C(N)CC[C@H](C)C1 584616543 491119974 /nfs/dbraw/zinc/11/99/74/491119974.db2.gz PMIAOYSTBAMQBW-LURJTMIESA-N 0 0 169.224 1.192 10 0 ADAERN CC1(C[NH2+]Cc2ncccc2[O-])CC1 308636577 491115457 /nfs/dbraw/zinc/11/54/57/491115457.db2.gz CNSSOVMXMPUBHC-UHFFFAOYSA-N 0 0 192.262 1.677 10 0 ADAERN COC(=O)C1=C(N)CC[C@@H](C)C1 584616544 491119976 /nfs/dbraw/zinc/11/99/76/491119976.db2.gz PMIAOYSTBAMQBW-ZCFIWIBFSA-N 0 0 169.224 1.192 10 0 ADAERN FC1CN(c2cccnc2Cl)C1 584646686 491119984 /nfs/dbraw/zinc/11/99/84/491119984.db2.gz VXYAPEINPGPKEC-UHFFFAOYSA-N 0 0 186.617 1.893 10 0 ADAERN NSc1ncccc1N1CCCC1 584646546 491119986 /nfs/dbraw/zinc/11/99/86/491119986.db2.gz XALDETYGPMCVJW-UHFFFAOYSA-N 0 0 195.291 1.648 10 0 ADAERN Cc1cn2cc(N)cc(Cl)c2n1 584646743 491119993 /nfs/dbraw/zinc/11/99/93/491119993.db2.gz ZBISIQUCTGHWDF-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN Cc1noc([C@@H](C)NCC2(F)CC2)n1 308645812 491115869 /nfs/dbraw/zinc/11/58/69/491115869.db2.gz HMKPVGAVTZFLRV-ZCFIWIBFSA-N 0 0 199.229 1.531 10 0 ADAERN Cc1noc([C@H](C)NCC2(F)CC2)n1 308645811 491115902 /nfs/dbraw/zinc/11/59/02/491115902.db2.gz HMKPVGAVTZFLRV-LURJTMIESA-N 0 0 199.229 1.531 10 0 ADAERN CC(C)[C@@H](CO)CNc1cccnn1 308664095 491116806 /nfs/dbraw/zinc/11/68/06/491116806.db2.gz RLXIFFOVVKNXMG-SECBINFHSA-N 0 0 195.266 1.153 10 0 ADAERN CC(C)[C@H](CO)CNc1cccnn1 308664097 491116809 /nfs/dbraw/zinc/11/68/09/491116809.db2.gz RLXIFFOVVKNXMG-VIFPVBQESA-N 0 0 195.266 1.153 10 0 ADAERN CC(C)(C)OCCNCc1cocn1 308670994 491116883 /nfs/dbraw/zinc/11/68/83/491116883.db2.gz VCHZHQMAAGEIIQ-UHFFFAOYSA-N 0 0 198.266 1.579 10 0 ADAERN COCc1nc(C)cc(NCCF)n1 308714718 491117745 /nfs/dbraw/zinc/11/77/45/491117745.db2.gz ATYBUWUUFBKMHA-UHFFFAOYSA-N 0 0 199.229 1.313 10 0 ADAERN Cc1nn(CC2CCCC2)c(=O)n1C 585651556 491120138 /nfs/dbraw/zinc/12/01/38/491120138.db2.gz QDZJABMVJKNJIK-UHFFFAOYSA-N 0 0 195.266 1.080 10 0 ADAERN CC[C@H](C)[C@H](O)CNCc1cocn1 308758664 491118904 /nfs/dbraw/zinc/11/89/04/491118904.db2.gz XCYIWHJMHPXXJX-WCBMZHEXSA-N 0 0 198.266 1.171 10 0 ADAERN CC[C@H](C)[C@@H](O)CNCc1cocn1 308758670 491118925 /nfs/dbraw/zinc/11/89/25/491118925.db2.gz XCYIWHJMHPXXJX-WPRPVWTQSA-N 0 0 198.266 1.171 10 0 ADAERN CC[C@@H](C)[C@@H](O)CNCc1cocn1 308758659 491118960 /nfs/dbraw/zinc/11/89/60/491118960.db2.gz XCYIWHJMHPXXJX-SCZZXKLOSA-N 0 0 198.266 1.171 10 0 ADAERN CC[C@@H](C)[C@H](O)CNCc1cocn1 308758651 491119044 /nfs/dbraw/zinc/11/90/44/491119044.db2.gz XCYIWHJMHPXXJX-PSASIEDQSA-N 0 0 198.266 1.171 10 0 ADAERN Cc1cncc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 335177937 491119235 /nfs/dbraw/zinc/11/92/35/491119235.db2.gz SHLQAZGAFDIUDG-ILWJIGKKSA-N 0 0 189.262 1.995 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cncn1C 335148319 491119246 /nfs/dbraw/zinc/11/92/46/491119246.db2.gz UUGYWJNWBJPNGC-HTQZYQBOSA-N 0 0 193.250 1.043 10 0 ADAERN CC[C@@H](C(=O)[O-])[N@H+](C)CC1(C)CCC1 389307882 491119566 /nfs/dbraw/zinc/11/95/66/491119566.db2.gz OAXXXXBVQYWEQS-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C(=O)[O-])[N@H+](C)CC1(C)CCC1 389307881 491119570 /nfs/dbraw/zinc/11/95/70/491119570.db2.gz OAXXXXBVQYWEQS-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCCCNC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 397614471 491119712 /nfs/dbraw/zinc/11/97/12/491119712.db2.gz DJHOWCSKSNZJGG-ILWJIGKKSA-N 0 0 196.294 1.884 10 0 ADAERN CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(=O)[O-] 397616047 491119719 /nfs/dbraw/zinc/11/97/19/491119719.db2.gz CMPVYCCUALWGEK-YIZRAAEISA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C(=O)[O-] 397616044 491119720 /nfs/dbraw/zinc/11/97/20/491119720.db2.gz CMPVYCCUALWGEK-VGMNWLOBSA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C(=O)[O-] 397616041 491119734 /nfs/dbraw/zinc/11/97/34/491119734.db2.gz CMPVYCCUALWGEK-HLTSFMKQSA-N 0 0 199.294 1.874 10 0 ADAERN CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(=O)[O-] 397616039 491119738 /nfs/dbraw/zinc/11/97/38/491119738.db2.gz CMPVYCCUALWGEK-CIUDSAMLSA-N 0 0 199.294 1.874 10 0 ADAERN CC(C)OC(=O)[C@H](C)c1ccnn1C 591473616 491120232 /nfs/dbraw/zinc/12/02/32/491120232.db2.gz WHCQWDANLWDLEK-MRVPVSSYSA-N 0 0 196.250 1.475 10 0 ADAERN CC(C)OC(=O)[C@@H](C)c1ccnn1C 591473617 491120233 /nfs/dbraw/zinc/12/02/33/491120233.db2.gz WHCQWDANLWDLEK-QMMMGPOBSA-N 0 0 196.250 1.475 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2C[C@@H]21 935924588 698189167 /nfs/dbraw/zinc/18/91/67/698189167.db2.gz URXNGTCFWHWEMN-DOLQZWNJSA-N 0 0 195.262 1.032 10 0 ADAERN CC(C)CCC[NH2+][C@H](C)c1nnn[n-]1 95139752 1446111184 /nfs/dbraw/zinc/11/11/84/1446111184.db2.gz PAVUFHOPIHCUQH-MRVPVSSYSA-N 0 0 197.286 1.287 10 0 ADAERN C[C@H](CC(C)(C)C)Nc1nnn[n-]1 693666479 1446135552 /nfs/dbraw/zinc/13/55/52/1446135552.db2.gz IVYMFISMZQVNSH-ZCFIWIBFSA-N 0 0 183.259 1.436 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@H]1c1nnn[n-]1 95200286 1446186333 /nfs/dbraw/zinc/18/63/33/1446186333.db2.gz AOQZOFOKEWTGCT-QMMMGPOBSA-N 0 0 195.270 1.135 10 0 ADAERN CCC(C)(C)[C@@H](C)n1[n-]nnc1=[NH2+] 642857490 1446336306 /nfs/dbraw/zinc/33/63/06/1446336306.db2.gz QXPXQRQWELTTHK-ZCFIWIBFSA-N 0 0 183.259 1.083 10 0 ADAERN O=C(c1ccc(F)c(O)c1)N1CCC1 1633250396 1188746865 /nfs/dbraw/zinc/74/68/65/1188746865.db2.gz PRVQAYUOLFFSBE-UHFFFAOYSA-N 0 0 195.193 1.377 10 0 ADAERN CCC[C@@H]1C[C@H]1C(=O)N1CC(OC)C1 1633616464 1188746896 /nfs/dbraw/zinc/74/68/96/1188746896.db2.gz LXFZNUPYIXMVNF-PSASIEDQSA-N 0 0 197.278 1.280 10 0 ADAERN C=C/C=C\CC(=O)NC1([C@H](C)O)CC1 1633629998 1188746921 /nfs/dbraw/zinc/74/69/21/1188746921.db2.gz HAMRABKNSRWITF-WBSSQXGSSA-N 0 0 195.262 1.148 10 0 ADAERN O=C(Nc1ccsn1)c1cc[nH]n1 1632966702 1188747090 /nfs/dbraw/zinc/74/70/90/1188747090.db2.gz VXNQKCCSORCNGV-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN CC1(NC(=O)c2ccc(O)cn2)CC1 1633679902 1188747125 /nfs/dbraw/zinc/74/71/25/1188747125.db2.gz DJKTZIOCTGKOIB-UHFFFAOYSA-N 0 0 192.218 1.070 10 0 ADAERN C=C/C=C\CC(=O)N[C@@H](C)COCC 1633437216 1188747163 /nfs/dbraw/zinc/74/71/63/1188747163.db2.gz JHXHOYGRBCOBQS-GFVADAIESA-N 0 0 197.278 1.660 10 0 ADAERN CCCCC(=O)N1[C@H](C)CC[C@@H]1CO 1633231146 1188747179 /nfs/dbraw/zinc/74/71/79/1188747179.db2.gz MWLLCOSHQXXNOF-NXEZZACHSA-N 0 0 199.294 1.548 10 0 ADAERN C=C/C=C/CC(=O)NC1([C@H](C)O)CC1 1633629997 1188747193 /nfs/dbraw/zinc/74/71/93/1188747193.db2.gz HAMRABKNSRWITF-MOVJSRMASA-N 0 0 195.262 1.148 10 0 ADAERN O=C(Nc1ccsn1)c1cc[nH]c1 1632965546 1188747346 /nfs/dbraw/zinc/74/73/46/1188747346.db2.gz ABPNVSUVIRGXEW-UHFFFAOYSA-N 0 0 193.231 1.724 10 0 ADAERN O=C(CC1CC1)NC[C@@H]1CCCC1=O 1633228122 1188747365 /nfs/dbraw/zinc/74/73/65/1188747365.db2.gz OXQGUGHTTDITSH-VIFPVBQESA-N 0 0 195.262 1.272 10 0 ADAERN C=C/C=C\CC(=O)NC1([C@@H](C)O)CC1 1633630000 1188747376 /nfs/dbraw/zinc/74/73/76/1188747376.db2.gz HAMRABKNSRWITF-XRVBUDJMSA-N 0 0 195.262 1.148 10 0 ADAERN C=C/C=C/CC(=O)NC1([C@@H](C)O)CC1 1633629999 1188747406 /nfs/dbraw/zinc/74/74/06/1188747406.db2.gz HAMRABKNSRWITF-XNPJLODASA-N 0 0 195.262 1.148 10 0 ADAERN C=C/C=C/CC(=O)N[C@@H](C)COCC 1633437215 1188747421 /nfs/dbraw/zinc/74/74/21/1188747421.db2.gz JHXHOYGRBCOBQS-FGEFZZPRSA-N 0 0 197.278 1.660 10 0 ADAERN C=C/C=C\CC(=O)NOCCOCC 1633306611 1188747439 /nfs/dbraw/zinc/74/74/39/1188747439.db2.gz ZRPRTLYPUROBSY-WAYWQWQTSA-N 0 0 199.250 1.203 10 0 ADAERN O=C(CC1CC1)NC[C@H]1CCCC1=O 1633228121 1188747570 /nfs/dbraw/zinc/74/75/70/1188747570.db2.gz OXQGUGHTTDITSH-SECBINFHSA-N 0 0 195.262 1.272 10 0 ADAERN CC(C)=CCNC(=O)CCCCCO 1632945625 1188747613 /nfs/dbraw/zinc/74/76/13/1188747613.db2.gz QTCOZEMXYFCDEI-UHFFFAOYSA-N 0 0 199.294 1.622 10 0 ADAERN C=C/C=C/CC(=O)NOCCOCC 1633306610 1188747664 /nfs/dbraw/zinc/74/76/64/1188747664.db2.gz ZRPRTLYPUROBSY-AATRIKPKSA-N 0 0 199.250 1.203 10 0 ADAERN C[C@@H](C(=O)Nc1ccsn1)N(C)C 1632966144 1188747776 /nfs/dbraw/zinc/74/77/76/1188747776.db2.gz JBCKYMNQFXMYCZ-LURJTMIESA-N 0 0 199.279 1.032 10 0 ADAERN CCO/C=C\C(=O)N1CCC[C@@H]2C[C@@H]21 1640559477 1188748264 /nfs/dbraw/zinc/74/82/64/1188748264.db2.gz LEOKWXYRCVRYAZ-LZDAAXCASA-N 0 0 195.262 1.548 10 0 ADAERN O=C(Nn1cccn1)c1cccs1 1640460414 1188748308 /nfs/dbraw/zinc/74/83/08/1188748308.db2.gz DLCQDYFKTFAFLU-UHFFFAOYSA-N 0 0 193.231 1.329 10 0 ADAERN CCO/C=C/C(=O)N1CCC[C@@H]2C[C@@H]21 1640559479 1188748360 /nfs/dbraw/zinc/74/83/60/1188748360.db2.gz LEOKWXYRCVRYAZ-NVETZNIKSA-N 0 0 195.262 1.548 10 0 ADAERN CCO/C=C\C(=O)NCCC(F)F 1640602098 1188748614 /nfs/dbraw/zinc/74/86/14/1188748614.db2.gz LZISZBHIWLDKOO-XQRVVYSFSA-N 0 0 193.193 1.308 10 0 ADAERN CCO/C=C/C(=O)NCCC(F)F 1640602097 1188748643 /nfs/dbraw/zinc/74/86/43/1188748643.db2.gz LZISZBHIWLDKOO-GQCTYLIASA-N 0 0 193.193 1.308 10 0 ADAERN FCCN1CC[C@@H](c2cnccn2)C1 1644672614 1188748989 /nfs/dbraw/zinc/74/89/89/1188748989.db2.gz PUBAAGKOQVLVSQ-SECBINFHSA-N 0 0 195.241 1.235 10 0 ADAERN CCO/C=C/C(=O)N[C@H]1C=CCC1 1644664506 1188749000 /nfs/dbraw/zinc/74/90/00/1188749000.db2.gz UNXDTVGOIAFUFV-FLOXNTQESA-N 0 0 181.235 1.371 10 0 ADAERN CCO/C=C\C(=O)N[C@H]1C=CCC1 1644664507 1188749005 /nfs/dbraw/zinc/74/90/05/1188749005.db2.gz UNXDTVGOIAFUFV-FUOZMLNRSA-N 0 0 181.235 1.371 10 0 ADAERN CCO/C=C/C(=O)N[C@@H]1C=CCC1 1644664505 1188749014 /nfs/dbraw/zinc/74/90/14/1188749014.db2.gz UNXDTVGOIAFUFV-FCZSHJHJSA-N 0 0 181.235 1.371 10 0 ADAERN CCO/C=C\C(=O)N[C@@H]1C=CCC1 1644664508 1188749036 /nfs/dbraw/zinc/74/90/36/1188749036.db2.gz UNXDTVGOIAFUFV-UFGYOYAJSA-N 0 0 181.235 1.371 10 0 ADAERN FCCN1CC[C@H](c2cnccn2)C1 1644672615 1188749058 /nfs/dbraw/zinc/74/90/58/1188749058.db2.gz PUBAAGKOQVLVSQ-VIFPVBQESA-N 0 0 195.241 1.235 10 0 ADAERN CC(C)C(OCCO)C(C)C 5359286 1188765235 /nfs/dbraw/zinc/76/52/35/1188765235.db2.gz QXGSHGKOPJABTM-UHFFFAOYSA-N 0 0 160.257 1.676 10 0 ADAERN CCCCC(F)(F)[C@@H](O)CO 4977964 1188765280 /nfs/dbraw/zinc/76/52/80/1188765280.db2.gz NDZCPOSFHWMJGY-LURJTMIESA-N 0 0 168.183 1.165 10 0 ADAERN CN(C)C(=O)[C@]1(C)C[C@@H]2C=C[C@H]1C2 4976516 1188765402 /nfs/dbraw/zinc/76/54/02/1188765402.db2.gz QZXTYHYAZQOPIP-WCABBAIRSA-N 0 0 179.263 1.677 10 0 ADAERN CCCCOC(=O)N(C)C 5309331 1188765407 /nfs/dbraw/zinc/76/54/07/1188765407.db2.gz MZWPUQMAMJFJPQ-UHFFFAOYSA-N 0 0 145.202 1.485 10 0 ADAERN CNC(=S)N1[C@@H](C)CCC[C@H]1C 13826916 1188765671 /nfs/dbraw/zinc/76/56/71/1188765671.db2.gz PQKVWFRTDDBVPY-OCAPTIKFSA-N 0 0 186.324 1.754 10 0 ADAERN CC(C)Oc1cc(=O)[nH]c(=S)[nH]1 13957383 1188765716 /nfs/dbraw/zinc/76/57/16/1188765716.db2.gz CALXOMIOGHNFHQ-UHFFFAOYSA-N 0 0 186.236 1.220 10 0 ADAERN Cc1cc(NC(=S)NC(C)C)no1 13839804 1188765967 /nfs/dbraw/zinc/76/59/67/1188765967.db2.gz YWUWIMZSYQIFBK-UHFFFAOYSA-N 0 0 199.279 1.678 10 0 ADAERN C[C@H](COC(C)(C)C)OCCCO 6036669 1188765811 /nfs/dbraw/zinc/76/58/11/1188765811.db2.gz OYBCJPZUEMNMGD-SECBINFHSA-N 0 0 190.283 1.589 10 0 ADAERN CNC(=S)N1[C@H](C)CCC[C@H]1C 13826918 1188765826 /nfs/dbraw/zinc/76/58/26/1188765826.db2.gz PQKVWFRTDDBVPY-HTQZYQBOSA-N 0 0 186.324 1.754 10 0 ADAERN CCc1ccoc1 15204986 1188766141 /nfs/dbraw/zinc/76/61/41/1188766141.db2.gz RPCHNECSJGMRGP-UHFFFAOYSA-N 0 0 96.129 1.842 10 0 endogenous,in-man ADAERN CCCNC(=S)Nc1cc(C)on1 13839794 1188766272 /nfs/dbraw/zinc/76/62/72/1188766272.db2.gz ZKZPPNICAUDMKU-UHFFFAOYSA-N 0 0 199.279 1.679 10 0 ADAERN COC(=O)[C@@H](C)OCc1ccco1 6442711 1188766375 /nfs/dbraw/zinc/76/63/75/1188766375.db2.gz XAMZLVOKBGGLSE-SSDOTTSWSA-N 0 0 184.191 1.358 10 0 ADAERN COC(=O)[C@@H](C)Oc1ccc(C)nc1 50211361 1188767978 /nfs/dbraw/zinc/76/79/78/1188767978.db2.gz RMYKFPJWXPCDRA-MRVPVSSYSA-N 0 0 195.218 1.330 10 0 ADAERN CCOC(=O)C[C@@H](C)OC(C)C 49850309 1188768168 /nfs/dbraw/zinc/76/81/68/1188768168.db2.gz NRTUOVGAWRAMRO-MRVPVSSYSA-N 0 0 174.240 1.753 10 0 ADAERN Nc1cccc(-c2cncc(F)c2)n1 49576607 1188768236 /nfs/dbraw/zinc/76/82/36/1188768236.db2.gz LKVZLKYXUIJUAS-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CCOC(=O)C[C@@H](C)OCC1CC1 49850333 1188768309 /nfs/dbraw/zinc/76/83/09/1188768309.db2.gz ROEUXVHPWMFEHB-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN C=CCO[C@H](C)CC(=O)OCC 49850369 1188768386 /nfs/dbraw/zinc/76/83/86/1188768386.db2.gz DUEXAOYNDPXXOL-MRVPVSSYSA-N 0 0 172.224 1.531 10 0 ADAERN COC(=O)[C@@H](C)Oc1cccnc1 50211405 1188768411 /nfs/dbraw/zinc/76/84/11/1188768411.db2.gz BFULQPFRQRYPGL-SSDOTTSWSA-N 0 0 181.191 1.022 10 0 ADAERN CCCOCC(=O)OCC(C)C 49588409 1188768492 /nfs/dbraw/zinc/76/84/92/1188768492.db2.gz ICPCZHZIOOIBSS-UHFFFAOYSA-N 0 0 174.240 1.612 10 0 ADAERN C[C@@H](N)c1nnc([C@@H]2C[C@H]2C)o1 50284240 1188768530 /nfs/dbraw/zinc/76/85/30/1188768530.db2.gz INFMBJAQCISFLP-HSUXUTPPSA-N 0 0 167.212 1.213 10 0 ADAERN CC(C)OC(=O)COc1cccnc1 50211398 1188768596 /nfs/dbraw/zinc/76/85/96/1188768596.db2.gz CDKYOKPSEPSVMF-UHFFFAOYSA-N 0 0 195.218 1.412 10 0 ADAERN COC(=O)C[C@@H](C)Oc1cccnc1 50211387 1188768621 /nfs/dbraw/zinc/76/86/21/1188768621.db2.gz HMFXAMXQFCKNFG-MRVPVSSYSA-N 0 0 195.218 1.412 10 0 ADAERN CC(C)Cc1nnc(CCCO)o1 58520326 1188768994 /nfs/dbraw/zinc/76/89/94/1188768994.db2.gz QDAUYTXTGPCSEK-UHFFFAOYSA-N 0 0 184.239 1.193 10 0 ADAERN CNc1cc(COCCOC)ccn1 52754657 1188769060 /nfs/dbraw/zinc/76/90/60/1188769060.db2.gz REVVHBKEHXWJIM-UHFFFAOYSA-N 0 0 196.250 1.286 10 0 ADAERN CCCc1ccc(CC(N)=O)cc1 58519128 1188770361 /nfs/dbraw/zinc/77/03/61/1188770361.db2.gz PQXFMZWIGXGSFG-UHFFFAOYSA-N 0 0 177.247 1.667 10 0 ADAERN CCn1cc(-c2ccc(N)nc2)cn1 52886390 1188770388 /nfs/dbraw/zinc/77/03/88/1188770388.db2.gz GZRTWNYTXJQMPI-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCc1cc(CC(N)=O)ccc1OC 57489046 1188770684 /nfs/dbraw/zinc/77/06/84/1188770684.db2.gz WFBRAWQBKNHTFH-UHFFFAOYSA-N 0 0 193.246 1.285 10 0 ADAERN COc1ccc(NC#N)c(C)c1 61567376 1188770956 /nfs/dbraw/zinc/77/09/56/1188770956.db2.gz MQUOESJINFJYRS-UHFFFAOYSA-N 0 0 162.192 1.897 10 0 ADAERN c1cncc(-c2ccc3nccn3n2)c1 59492716 1188771177 /nfs/dbraw/zinc/77/11/77/1188771177.db2.gz LDGHNVPDMKWERF-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN C=Cc1ccnc(N(C)C)c1 59348941 1188771618 /nfs/dbraw/zinc/77/16/18/1188771618.db2.gz MUQRNJDYEYZFNS-UHFFFAOYSA-N 0 0 148.209 1.791 10 0 ADAERN CC[C@H](C)[C@@H]([NH3+])CCC(=O)[O-] 59157731 1188771745 /nfs/dbraw/zinc/77/17/45/1188771745.db2.gz DVEQYBXCFNPUGR-BQBZGAKWSA-N 0 0 159.229 1.225 10 0 ADAERN NC(=O)c1ccccc1-c1ccccn1 59613151 1188771797 /nfs/dbraw/zinc/77/17/97/1188771797.db2.gz FKBYDGHOPOEEEP-UHFFFAOYSA-N 0 0 198.225 1.848 10 0 ADAERN CCc1ccc(CNC(C)=O)cc1 59371661 1188771899 /nfs/dbraw/zinc/77/18/99/1188771899.db2.gz AYXZXNFRXHORNF-UHFFFAOYSA-N 0 0 177.247 1.885 10 0 ADAERN CCCc1ccc[nH]c1=O 59440374 1188772085 /nfs/dbraw/zinc/77/20/85/1188772085.db2.gz GIBYSLOXDAWWBA-UHFFFAOYSA-N 0 0 137.182 1.327 10 0 ADAERN c1ccc2[nH]c(-c3c[nH]cn3)nc2c1 59138266 1188772132 /nfs/dbraw/zinc/77/21/32/1188772132.db2.gz HZIJSWRTFSUJIJ-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN COC(=O)c1cccc(CCC#N)c1 59380429 1188772326 /nfs/dbraw/zinc/77/23/26/1188772326.db2.gz QBGOKYKMELZQSE-UHFFFAOYSA-N 0 0 189.214 1.929 10 0 ADAERN C=CC(=O)N1CCC(C)(C)CC1 61820178 1188773068 /nfs/dbraw/zinc/77/30/68/1188773068.db2.gz CZLNAWVUGRPIDW-UHFFFAOYSA-N 0 0 167.252 1.821 10 0 ADAERN CC(C)(C)C(=O)Cc1ccncn1 63023614 1188773316 /nfs/dbraw/zinc/77/33/16/1188773316.db2.gz KIDQFIFYDJWCFA-UHFFFAOYSA-N 0 0 178.235 1.634 10 0 ADAERN CCC(=O)Cc1ncccc1F 63023145 1188773437 /nfs/dbraw/zinc/77/34/37/1188773437.db2.gz NCKULGXYVQWHDS-UHFFFAOYSA-N 0 0 167.183 1.742 10 0 ADAERN CCC(=O)Cc1ccc(F)cn1 63023161 1188773543 /nfs/dbraw/zinc/77/35/43/1188773543.db2.gz HEDFWHYHVHOHNA-UHFFFAOYSA-N 0 0 167.183 1.742 10 0 ADAERN CC(C)[C@@H](C)C(=O)NCc1cn[nH]c1 69688556 1188773896 /nfs/dbraw/zinc/77/38/96/1188773896.db2.gz XTSARCVICVKSBN-MRVPVSSYSA-N 0 0 195.266 1.318 10 0 ADAERN CC(C)[C@H](C)C(=O)NCc1cn[nH]c1 69688560 1188773928 /nfs/dbraw/zinc/77/39/28/1188773928.db2.gz XTSARCVICVKSBN-QMMMGPOBSA-N 0 0 195.266 1.318 10 0 ADAERN CC[C@@H](C)c1ncc[nH]1 78107866 1188774106 /nfs/dbraw/zinc/77/41/06/1188774106.db2.gz XFDFELYDTUQBDS-ZCFIWIBFSA-N 0 0 124.187 1.923 10 0 ADAERN Cc1ccc(-c2ccc(N)nn2)cn1 74280553 1188774283 /nfs/dbraw/zinc/77/42/83/1188774283.db2.gz ANAYCZKCKZZNKX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN OCCc1nc2c(F)c(F)ccc2[nH]1 75976632 1188774307 /nfs/dbraw/zinc/77/43/07/1188774307.db2.gz WVNYYMGNIQZOET-UHFFFAOYSA-N 0 0 198.172 1.376 10 0 ADAERN O=Cc1ccc(OC2COC2)cc1 76602461 1188774399 /nfs/dbraw/zinc/77/43/99/1188774399.db2.gz BHWHYLUWWYESEE-UHFFFAOYSA-N 0 0 178.187 1.277 10 0 ADAERN CC(C)c1cnn(C)c1 75838870 1188774513 /nfs/dbraw/zinc/77/45/13/1188774513.db2.gz RMMFFMJLIHITAH-UHFFFAOYSA-N 0 0 124.187 1.544 10 0 ADAERN CC[C@H](C)c1ncc[nH]1 78107868 1188774595 /nfs/dbraw/zinc/77/45/95/1188774595.db2.gz XFDFELYDTUQBDS-LURJTMIESA-N 0 0 124.187 1.923 10 0 ADAERN CCCCc1ccc(=O)[nH]c1 78136595 1188774665 /nfs/dbraw/zinc/77/46/65/1188774665.db2.gz AXMXNINOFKEUMG-UHFFFAOYSA-N 0 0 151.209 1.718 10 0 ADAERN Cc1ncc(-c2ccc(N)nn2)s1 74269402 1188774786 /nfs/dbraw/zinc/77/47/86/1188774786.db2.gz YONQVEALSSHUIS-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN OCCc1nc2c(F)cccc2[nH]1 75976633 1188774993 /nfs/dbraw/zinc/77/49/93/1188774993.db2.gz RMUMBXZXYQRSAD-UHFFFAOYSA-N 0 0 180.182 1.237 10 0 ADAERN COc1ncc(C(C)C)cn1 75838990 1188775237 /nfs/dbraw/zinc/77/52/37/1188775237.db2.gz SRBLBFMPBRNXPR-UHFFFAOYSA-N 0 0 152.197 1.609 10 0 ADAERN CN(C)Cc1nc2ccccc2n1C 71502748 1188775330 /nfs/dbraw/zinc/77/53/30/1188775330.db2.gz MNOCRMQSCMVCLZ-UHFFFAOYSA-N 0 0 189.262 1.635 10 0 ADAERN Nc1ccc(CC(F)(F)F)cn1 74308418 1188775481 /nfs/dbraw/zinc/77/54/81/1188775481.db2.gz XPENVSWCGXMXAT-UHFFFAOYSA-N 0 0 176.141 1.769 10 0 ADAERN Cc1cc(-c2ccccc2N)n(C)n1 78216869 1188775894 /nfs/dbraw/zinc/77/58/94/1188775894.db2.gz MATSILBNSYAUMY-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCC[C@@H](CC)OCCO 78373560 1188775958 /nfs/dbraw/zinc/77/59/58/1188775958.db2.gz RWLREIIYUMOGGY-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN CCC[C@H](CC)OCCO 78373561 1188776300 /nfs/dbraw/zinc/77/63/00/1188776300.db2.gz RWLREIIYUMOGGY-QMMMGPOBSA-N 0 0 146.230 1.574 10 0 ADAERN Fc1ccc(-c2ncc[nH]2)nc1 78676031 1188776311 /nfs/dbraw/zinc/77/63/11/1188776311.db2.gz KNHCLCNGQOPNKK-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Cn1ccc(-c2ccc(O)cc2)n1 78916353 1188776325 /nfs/dbraw/zinc/77/63/25/1188776325.db2.gz WINBZWXSAVBKHU-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN Cc1ccc(CC(N)=O)cc1Cl 78372948 1188776403 /nfs/dbraw/zinc/77/64/03/1188776403.db2.gz IENXMXSNDXVXFA-UHFFFAOYSA-N 0 0 183.638 1.676 10 0 ADAERN CCOC(=O)Cc1cc(C)ccc1O 82726741 1188776672 /nfs/dbraw/zinc/77/66/72/1188776672.db2.gz UZTWZRCCFVYYKJ-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN C[C@H](O)CNc1ccccc1N(C)C 82710924 1188776955 /nfs/dbraw/zinc/77/69/55/1188776955.db2.gz SHAQSQHZSLQPIZ-VIFPVBQESA-N 0 0 194.278 1.545 10 0 ADAERN COC(=O)CCc1cc(F)ccc1O 82724513 1188777207 /nfs/dbraw/zinc/77/72/07/1188777207.db2.gz SSICJPIYNYHEGD-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN CCOC(=O)Cc1cc(F)ccc1O 82724511 1188777209 /nfs/dbraw/zinc/77/72/09/1188777209.db2.gz QXRCWQDGPNLPBP-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN C[C@H](O)CNc1ccc2[nH]ccc2c1 82710920 1188777213 /nfs/dbraw/zinc/77/72/13/1188777213.db2.gz ITKCYTJENALJLX-QMMMGPOBSA-N 0 0 190.246 1.961 10 0 ADAERN O=C(NCC1CC1)NCC(F)(F)F 135918371 1188778401 /nfs/dbraw/zinc/77/84/01/1188778401.db2.gz IHITXVDFCMKBTK-UHFFFAOYSA-N 0 0 196.172 1.258 10 0 ADAERN CCCNC(=O)N(C)[C@H](C)CC 136075416 1188778446 /nfs/dbraw/zinc/77/84/46/1188778446.db2.gz SOIWCTPZKCZFGO-MRVPVSSYSA-N 0 0 172.272 1.836 10 0 ADAERN CCn1cc(NC(=O)OC)cn1 135982283 1188778468 /nfs/dbraw/zinc/77/84/68/1188778468.db2.gz GFSCRKKEJGROCC-UHFFFAOYSA-N 0 0 169.184 1.081 10 0 ADAERN CCNC(=O)N(C)C(CC)CC 136048225 1188778591 /nfs/dbraw/zinc/77/85/91/1188778591.db2.gz IJTWOVOLLQNGDF-UHFFFAOYSA-N 0 0 172.272 1.836 10 0 ADAERN CCCNC(=O)N(CC)CCC 136070093 1188778634 /nfs/dbraw/zinc/77/86/34/1188778634.db2.gz PBUDCJSCKCHIAL-UHFFFAOYSA-N 0 0 172.272 1.838 10 0 ADAERN Cc1cc(Cl)c[n+]([O-])c1 140870400 1188778704 /nfs/dbraw/zinc/77/87/04/1188778704.db2.gz JSDPTSPBGGKIIR-UHFFFAOYSA-N 0 0 143.573 1.282 10 0 ADAERN CCCNC(=O)N(CC)CCOC 136071711 1188778715 /nfs/dbraw/zinc/77/87/15/1188778715.db2.gz DZKMMTLMAWUZNW-UHFFFAOYSA-N 0 0 188.271 1.074 10 0 ADAERN CC[C@@H](C)N(C)C(=O)NC1CC1 136117346 1188778734 /nfs/dbraw/zinc/77/87/34/1188778734.db2.gz LBHUOORPAKVASH-SSDOTTSWSA-N 0 0 170.256 1.589 10 0 ADAERN CC[C@H](C)N(C)C(=O)NC1CC1 136117390 1188778743 /nfs/dbraw/zinc/77/87/43/1188778743.db2.gz LBHUOORPAKVASH-ZETCQYMHSA-N 0 0 170.256 1.589 10 0 ADAERN CCCCCN(C)C(=O)NCC 136069552 1188778801 /nfs/dbraw/zinc/77/88/01/1188778801.db2.gz NYKKRVPQCASXJJ-UHFFFAOYSA-N 0 0 172.272 1.838 10 0 ADAERN O=c1ccccn1Cc1ccncc1 136001945 1188778810 /nfs/dbraw/zinc/77/88/10/1188778810.db2.gz VDLAIBPCRNDQLC-UHFFFAOYSA-N 0 0 186.214 1.292 10 0 ADAERN CCCNC(=S)N[C@@H]1CC1(C)C 136152715 1188778970 /nfs/dbraw/zinc/77/89/70/1188778970.db2.gz RCPYSHFAUADCOK-SSDOTTSWSA-N 0 0 186.324 1.659 10 0 ADAERN CCC(CC)N(C)C(=S)NC 135937180 1188779087 /nfs/dbraw/zinc/77/90/87/1188779087.db2.gz NFWBNJFMWWJDJN-UHFFFAOYSA-N 0 0 174.313 1.611 10 0 ADAERN CCCNC(=O)N(C)[C@@H](C)CC 136075388 1188779126 /nfs/dbraw/zinc/77/91/26/1188779126.db2.gz SOIWCTPZKCZFGO-QMMMGPOBSA-N 0 0 172.272 1.836 10 0 ADAERN CCC(CC)N(C)C(=O)NC1CC1 135928984 1188779156 /nfs/dbraw/zinc/77/91/56/1188779156.db2.gz LZXLSOXQLHDKKZ-UHFFFAOYSA-N 0 0 184.283 1.979 10 0 ADAERN CC(C)N(CC1CC1)C(=O)NC1CC1 136129915 1188779199 /nfs/dbraw/zinc/77/91/99/1188779199.db2.gz FSPAENYSKIDZGI-UHFFFAOYSA-N 0 0 196.294 1.979 10 0 ADAERN COC(=O)NCCOC1CCCC1 136147184 1188779214 /nfs/dbraw/zinc/77/92/14/1188779214.db2.gz WODDXISGYGURCM-UHFFFAOYSA-N 0 0 187.239 1.302 10 0 ADAERN Cc1nnc(-c2cc(O)ccc2F)o1 146666859 1188779286 /nfs/dbraw/zinc/77/92/86/1188779286.db2.gz VQNZGSPPSJELQZ-UHFFFAOYSA-N 0 0 194.165 1.890 10 0 ADAERN Oc1cncc(-c2ccncc2F)c1 157615394 1188779365 /nfs/dbraw/zinc/77/93/65/1188779365.db2.gz CEMSEUUNRSLSHX-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN O=Cc1ccc2c(c1)S(=O)(=O)C=C2 148681044 1188779664 /nfs/dbraw/zinc/77/96/64/1188779664.db2.gz ZVCIMCAWVJCSII-UHFFFAOYSA-N 0 0 194.211 1.257 10 0 ADAERN CC[C@H](C)Oc1cnn(C)c1 158642216 1188780306 /nfs/dbraw/zinc/78/03/06/1188780306.db2.gz NJIKVDCVSUNUBY-ZETCQYMHSA-N 0 0 154.213 1.597 10 0 ADAERN CC[C@@H](C)Oc1cnn(C)c1 158642084 1188780327 /nfs/dbraw/zinc/78/03/27/1188780327.db2.gz NJIKVDCVSUNUBY-SSDOTTSWSA-N 0 0 154.213 1.597 10 0 ADAERN O=C1C[C@@H](Nc2ccccc2)CO1 196240253 1188782997 /nfs/dbraw/zinc/78/29/97/1188782997.db2.gz WLLQLZKNBCSOKR-SECBINFHSA-N 0 0 177.203 1.414 10 0 ADAERN COC(=O)Cc1cccc2[nH]cnc12 164669520 1188781260 /nfs/dbraw/zinc/78/12/60/1188781260.db2.gz FFWOAHZRFUIIAY-UHFFFAOYSA-N 0 0 190.202 1.278 10 0 ADAERN CCCc1nc2cccnc2c(=O)[nH]1 167921416 1188781703 /nfs/dbraw/zinc/78/17/03/1188781703.db2.gz YGHIBNUREDOYRC-UHFFFAOYSA-N 0 0 189.218 1.271 10 0 ADAERN Cn1cc(O[C@@H]2C=CCCC2)cn1 167870538 1188781715 /nfs/dbraw/zinc/78/17/15/1188781715.db2.gz QUFWVLSAPYIQAO-SECBINFHSA-N 0 0 178.235 1.908 10 0 ADAERN CC[C@@H](N[C@H](C)CC1CC1)C(=O)OC 168359668 1188782000 /nfs/dbraw/zinc/78/20/00/1188782000.db2.gz KZWDVSRETKFXEZ-PSASIEDQSA-N 0 0 199.294 1.716 10 0 ADAERN CNC(=O)c1ccc2cnccc2c1 169822599 1188782202 /nfs/dbraw/zinc/78/22/02/1188782202.db2.gz DSUVQEMJURPDPY-UHFFFAOYSA-N 0 0 186.214 1.594 10 0 ADAERN C/C=C/C=C/C(=O)N1CCC(=O)CC1 169812684 1188782205 /nfs/dbraw/zinc/78/22/05/1188782205.db2.gz BTXYREWNCSOKLL-MQQKCMAXSA-N 0 0 193.246 1.310 10 0 ADAERN Cc1cc2c(N(C)C)ncnc2[nH]1 169815260 1188782218 /nfs/dbraw/zinc/78/22/18/1188782218.db2.gz XLYSNRRSOUXHFE-UHFFFAOYSA-N 0 0 176.223 1.332 10 0 ADAERN CC[C@@H](C)c1cn[nH]c1 196247960 1188782836 /nfs/dbraw/zinc/78/28/36/1188782836.db2.gz IGSGRZGYPSFKAS-ZCFIWIBFSA-N 0 0 124.187 1.923 10 0 ADAERN CC[C@@H](C)c1cnc(N)nc1 196247972 1188782861 /nfs/dbraw/zinc/78/28/61/1188782861.db2.gz ITHMPJDZBHQGOS-ZCFIWIBFSA-N 0 0 151.213 1.572 10 0 ADAERN CCCCOC(=O)NCCOC 196201132 1188782940 /nfs/dbraw/zinc/78/29/40/1188782940.db2.gz UVDYICSGJUBVPN-UHFFFAOYSA-N 0 0 175.228 1.159 10 0 ADAERN CNC(=S)Nc1ccccc1O 196254359 1188782976 /nfs/dbraw/zinc/78/29/76/1188782976.db2.gz MPVVZTQQVHTZCH-UHFFFAOYSA-N 0 0 182.248 1.308 10 0 ADAERN CC(=O)CC(C)(C)NC(=O)C(C)(C)C 196201301 1188782980 /nfs/dbraw/zinc/78/29/80/1188782980.db2.gz RHGBLZOKFYDGFN-UHFFFAOYSA-N 0 0 199.294 1.906 10 0 ADAERN CC[C@H](C)c1cn[nH]c1 196247966 1188783001 /nfs/dbraw/zinc/78/30/01/1188783001.db2.gz IGSGRZGYPSFKAS-LURJTMIESA-N 0 0 124.187 1.923 10 0 ADAERN Cc1cc(N)n(-c2ccccc2N)n1 196229703 1188783020 /nfs/dbraw/zinc/78/30/20/1188783020.db2.gz WIDAIMSUCYIDCH-UHFFFAOYSA-N 0 0 188.234 1.345 10 0 ADAERN CCOC(=O)Cc1cnccc1Cl 196660622 1188783242 /nfs/dbraw/zinc/78/32/42/1188783242.db2.gz SYGDIUKITBPHTE-UHFFFAOYSA-N 0 0 199.637 1.841 10 0 ADAERN CC1=CC[C@@](C)(C(=O)OCCO)CC1 196626113 1188783248 /nfs/dbraw/zinc/78/32/48/1188783248.db2.gz DWCVNIKCJOUJDH-LLVKDONJSA-N 0 0 198.262 1.658 10 0 ADAERN CC1=CC[C@](C)(C(=O)OCCO)CC1 196626124 1188783310 /nfs/dbraw/zinc/78/33/10/1188783310.db2.gz DWCVNIKCJOUJDH-NSHDSACASA-N 0 0 198.262 1.658 10 0 ADAERN CC[C@@H](O)CNc1cccc(N)c1 199669655 1188783928 /nfs/dbraw/zinc/78/39/28/1188783928.db2.gz WOENUFNFMPNZCA-SNVBAGLBSA-N 0 0 180.251 1.452 10 0 ADAERN COc1cncc(C)c1C 199639553 1188783958 /nfs/dbraw/zinc/78/39/58/1188783958.db2.gz MFWCHDFQSIFVDD-UHFFFAOYSA-N 0 0 137.182 1.707 10 0 ADAERN Cc1cccc(-c2cccc(=O)[nH]2)n1 200535061 1188784256 /nfs/dbraw/zinc/78/42/56/1188784256.db2.gz BTFJIMZEMFQNIF-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CC(=O)N(C)C1C[NH+](CC(C)(C)C)C1 200625923 1188784319 /nfs/dbraw/zinc/78/43/19/1188784319.db2.gz ZBMPTGWDNHJMHM-UHFFFAOYSA-N 0 0 198.310 1.195 10 0 ADAERN CCO[C@H](C)C(F)(F)F 200549492 1188784334 /nfs/dbraw/zinc/78/43/34/1188784334.db2.gz OKSRHBHFPKAILG-SCSAIBSYSA-N 0 0 142.120 1.974 10 0 ADAERN CCN(C)C(=O)/C=C/C(C)C 200531804 1188784343 /nfs/dbraw/zinc/78/43/43/1188784343.db2.gz SRZOHBHIOGGKSH-VOTSOKGWSA-N 0 0 155.241 1.677 10 0 ADAERN CCCOC[C@@H](C)CO 200579759 1188784368 /nfs/dbraw/zinc/78/43/68/1188784368.db2.gz HDQOMVRJEZLCLY-ZETCQYMHSA-N 0 0 132.203 1.041 10 0 ADAERN CCO[C@@H](C)C(F)(F)F 200549462 1188784478 /nfs/dbraw/zinc/78/44/78/1188784478.db2.gz OKSRHBHFPKAILG-BYPYZUCNSA-N 0 0 142.120 1.974 10 0 ADAERN CNC(=O)C/C=C/c1ccccc1 200606664 1188784526 /nfs/dbraw/zinc/78/45/26/1188784526.db2.gz WERDNYMSOFFSAL-VMPITWQZSA-N 0 0 175.231 1.836 10 0 ADAERN CC(=O)[C@@H](C)Oc1ccc(O)cc1 203199602 1188785054 /nfs/dbraw/zinc/78/50/54/1188785054.db2.gz ZUVKWWIHADJAII-MRVPVSSYSA-N 0 0 180.203 1.749 10 0 ADAERN COC(=O)Cc1ccc(C)cc1O 215913019 1188785710 /nfs/dbraw/zinc/78/57/10/1188785710.db2.gz JOICAIICZKVAHQ-UHFFFAOYSA-N 0 0 180.203 1.416 10 0 ADAERN CC1(C)C[C@H](N2CCC(=O)C2)CCO1 215401358 1188785892 /nfs/dbraw/zinc/78/58/92/1188785892.db2.gz ITLDHVNWHMTNSB-SECBINFHSA-N 0 0 197.278 1.219 10 0 ADAERN Fc1cc(-c2cn[nH]c2)cnc1F 215925238 1188786078 /nfs/dbraw/zinc/78/60/78/1188786078.db2.gz ZCRJAODKUKSMNP-UHFFFAOYSA-N 0 0 181.145 1.750 10 0 ADAERN CC(=O)CNc1ccc(Cl)nn1 215584444 1188786250 /nfs/dbraw/zinc/78/62/50/1188786250.db2.gz KISMGCSNVMZMGX-UHFFFAOYSA-N 0 0 185.614 1.131 10 0 ADAERN CC1(C)C[C@@H](N2CCC(=O)C2)CCO1 215401404 1188786341 /nfs/dbraw/zinc/78/63/41/1188786341.db2.gz ITLDHVNWHMTNSB-VIFPVBQESA-N 0 0 197.278 1.219 10 0 ADAERN Clc1cncc(Nc2ncc[nH]2)n1 215819114 1188786359 /nfs/dbraw/zinc/78/63/59/1188786359.db2.gz KUUFIEQNSHALTM-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN CCC(CC)NCc1noc(C)n1 220665642 1188786860 /nfs/dbraw/zinc/78/68/60/1188786860.db2.gz YCJPGWHNVPKRRV-UHFFFAOYSA-N 0 0 183.255 1.656 10 0 ADAERN Fc1ccc(Cc2nnco2)cc1 223423914 1188787267 /nfs/dbraw/zinc/78/72/67/1188787267.db2.gz XGVCDFWSTGFMCO-UHFFFAOYSA-N 0 0 178.166 1.800 10 0 ADAERN CC(C)Cc1ccc[nH]c1=O 223463576 1188787468 /nfs/dbraw/zinc/78/74/68/1188787468.db2.gz NMNHYDYHRYQXGC-UHFFFAOYSA-N 0 0 151.209 1.573 10 0 ADAERN COC[C@H](C)Oc1ccnc(F)c1 227638628 1188788486 /nfs/dbraw/zinc/78/84/86/1188788486.db2.gz MVFCKJNDSHJFIT-ZETCQYMHSA-N 0 0 185.198 1.634 10 0 ADAERN Cc1nn(C)cc1-c1ccnc(N)c1 227663954 1188788717 /nfs/dbraw/zinc/78/87/17/1188788717.db2.gz SVGXWGLWXWTRKE-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1c(-c2ccnc(N)c2)cnn1C 227663999 1188788891 /nfs/dbraw/zinc/78/88/91/1188788891.db2.gz UOQNLYKPFPRLAT-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cn1ccc(Nc2ccnc(F)c2)n1 227645712 1188789081 /nfs/dbraw/zinc/78/90/81/1188789081.db2.gz YXWUDOFKSSOFBF-UHFFFAOYSA-N 0 0 192.197 1.698 10 0 ADAERN Fc1ccnc(-c2cncnc2)c1 227689441 1188789380 /nfs/dbraw/zinc/78/93/80/1188789380.db2.gz UTIMNXYWTOQOOT-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN CSCC[C@H](C)NC#N 228916750 1188789903 /nfs/dbraw/zinc/78/99/03/1188789903.db2.gz KJJWULZHGOCAFF-LURJTMIESA-N 0 0 144.243 1.199 10 0 ADAERN CC(C)OC(=O)Nc1cnccn1 244536349 1188793952 /nfs/dbraw/zinc/79/39/52/1188793952.db2.gz ZWAMAFDLCGYFTB-UHFFFAOYSA-N 0 0 181.195 1.434 10 0 ADAERN CSCC[C@@H](C)NC#N 228916739 1188790005 /nfs/dbraw/zinc/79/00/05/1188790005.db2.gz KJJWULZHGOCAFF-ZCFIWIBFSA-N 0 0 144.243 1.199 10 0 ADAERN COc1cc(NC2(C)CCC2)ncn1 228889803 1188790201 /nfs/dbraw/zinc/79/02/01/1188790201.db2.gz LAXWJZFBALQMOA-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN Cc1ncc(NCC(C)(C)O)nc1C 229062999 1188790587 /nfs/dbraw/zinc/79/05/87/1188790587.db2.gz LQRRYPOGWDFKSB-UHFFFAOYSA-N 0 0 195.266 1.276 10 0 ADAERN CC(C)OC(=O)NCCCCCO 229154864 1188790846 /nfs/dbraw/zinc/79/08/46/1188790846.db2.gz SOEOZPLKVVVPCH-UHFFFAOYSA-N 0 0 189.255 1.284 10 0 ADAERN CC(C)[C@@H](O)CNc1cccc(N)c1 229960376 1188791698 /nfs/dbraw/zinc/79/16/98/1188791698.db2.gz MNCLZJLNPBRDPQ-NSHDSACASA-N 0 0 194.278 1.698 10 0 ADAERN CC(C)[C@H](O)CNc1cccc(N)c1 229960381 1188792074 /nfs/dbraw/zinc/79/20/74/1188792074.db2.gz MNCLZJLNPBRDPQ-LLVKDONJSA-N 0 0 194.278 1.698 10 0 ADAERN CCc1nn(C)cc1NC[C@H](C)OC 231083932 1188792373 /nfs/dbraw/zinc/79/23/73/1188792373.db2.gz NSADYDKLJDSDDE-QMMMGPOBSA-N 0 0 197.282 1.429 10 0 ADAERN CCc1nn(C)cc1NC[C@@H](C)OC 231083929 1188792694 /nfs/dbraw/zinc/79/26/94/1188792694.db2.gz NSADYDKLJDSDDE-MRVPVSSYSA-N 0 0 197.282 1.429 10 0 ADAERN C[C@H]1CC[C@H](OCCCO)CC1 238445400 1188793609 /nfs/dbraw/zinc/79/36/09/1188793609.db2.gz QAPZSXMWHUEKNG-AOOOYVTPSA-N 0 0 172.268 1.964 10 0 ADAERN C=C(OC(=O)[C@H](C)O)c1ccccc1 238484154 1188793674 /nfs/dbraw/zinc/79/36/74/1188793674.db2.gz PLJCDCRPUIWZFZ-QMMMGPOBSA-N 0 0 192.214 1.581 10 0 ADAERN CCCCOC(=O)N[C@@H](CC)CO 243477741 1188793737 /nfs/dbraw/zinc/79/37/37/1188793737.db2.gz NMTNSPZZTRWQBM-QMMMGPOBSA-N 0 0 189.255 1.284 10 0 ADAERN CC[C@H](C)COC(=O)N(C)CCO 242879089 1188793748 /nfs/dbraw/zinc/79/37/48/1188793748.db2.gz GKRQOXFRFATQGS-QMMMGPOBSA-N 0 0 189.255 1.093 10 0 ADAERN CC[C@H](C)OC(=O)NC1CC1 244094223 1188793790 /nfs/dbraw/zinc/79/37/90/1188793790.db2.gz UFNNEEUDZWXXOY-LURJTMIESA-N 0 0 157.213 1.674 10 0 ADAERN CC(C)OC(=O)Nc1ncccn1 243857827 1188793820 /nfs/dbraw/zinc/79/38/20/1188793820.db2.gz RHKILPFVBOYAQL-UHFFFAOYSA-N 0 0 181.195 1.434 10 0 ADAERN CCNC(=S)Nc1cnc(C)cn1 243465017 1188793814 /nfs/dbraw/zinc/79/38/14/1188793814.db2.gz NJIKLVJRLMPXGT-UHFFFAOYSA-N 0 0 196.279 1.091 10 0 ADAERN CCCCOC(=O)Nc1cccnn1 244371075 1188793825 /nfs/dbraw/zinc/79/38/25/1188793825.db2.gz XYWULWOKKKVCIF-UHFFFAOYSA-N 0 0 195.222 1.825 10 0 ADAERN Cc1cnc(NC(=O)NC(C)C)cn1 243819550 1188793874 /nfs/dbraw/zinc/79/38/74/1188793874.db2.gz QULHWXLVFSSLID-UHFFFAOYSA-N 0 0 194.238 1.315 10 0 ADAERN CC[C@@H](C)OC(=O)N1CCOCC1 243432393 1188793932 /nfs/dbraw/zinc/79/39/32/1188793932.db2.gz MZYXPMJGWZZIBJ-MRVPVSSYSA-N 0 0 187.239 1.254 10 0 ADAERN CC[C@H](CO)NC(=O)O[C@H](C)CC 243035927 1188793963 /nfs/dbraw/zinc/79/39/63/1188793963.db2.gz ICUORBQQXMIYGP-HTQZYQBOSA-N 0 0 189.255 1.282 10 0 ADAERN CCCNc1ccc(NC(C)=O)nn1 244182056 1188793973 /nfs/dbraw/zinc/79/39/73/1188793973.db2.gz VJRVHIWRENDCMS-UHFFFAOYSA-N 0 0 194.238 1.257 10 0 ADAERN CC[C@@H](C)COC(=O)NC[C@@H](C)O 243544235 1188794013 /nfs/dbraw/zinc/79/40/13/1188794013.db2.gz OGNGUQHISFZVMW-HTQZYQBOSA-N 0 0 189.255 1.140 10 0 ADAERN CC(C)NC(=O)Nc1ncccc1O 244179562 1188794020 /nfs/dbraw/zinc/79/40/20/1188794020.db2.gz VIHNGROKLDANSJ-UHFFFAOYSA-N 0 0 195.222 1.317 10 0 ADAERN CC[C@@H](C)COC(=O)N(C)CCO 242879088 1188794027 /nfs/dbraw/zinc/79/40/27/1188794027.db2.gz GKRQOXFRFATQGS-MRVPVSSYSA-N 0 0 189.255 1.093 10 0 ADAERN CC[C@@H](C)OC(=O)NCCCOC 242897167 1188794033 /nfs/dbraw/zinc/79/40/33/1188794033.db2.gz GPJRSYKVBZBRLR-MRVPVSSYSA-N 0 0 189.255 1.548 10 0 ADAERN CC[C@H](C)COC(=O)NCCOC 243437951 1188794067 /nfs/dbraw/zinc/79/40/67/1188794067.db2.gz NACLUTMFOJMGNM-QMMMGPOBSA-N 0 0 189.255 1.405 10 0 ADAERN CCCNc1ccc(NC(C)=O)cn1 243877244 1188794080 /nfs/dbraw/zinc/79/40/80/1188794080.db2.gz RMNMKDBFRDOAGY-UHFFFAOYSA-N 0 0 193.250 1.862 10 0 ADAERN CC[C@H](C)OC(=O)NCCCOC 242897168 1188794093 /nfs/dbraw/zinc/79/40/93/1188794093.db2.gz GPJRSYKVBZBRLR-QMMMGPOBSA-N 0 0 189.255 1.548 10 0 ADAERN CC(C)OC(=O)NCc1cnccn1 243849061 1188794107 /nfs/dbraw/zinc/79/41/07/1188794107.db2.gz RFGKBFUGNKHYHX-UHFFFAOYSA-N 0 0 195.222 1.111 10 0 ADAERN CSCCC(=O)Nc1ncccn1 244038349 1188794115 /nfs/dbraw/zinc/79/41/15/1188794115.db2.gz SXCOWSQYGUSJJA-UHFFFAOYSA-N 0 0 197.263 1.168 10 0 ADAERN CCCNC(=S)Nc1cccnn1 243847674 1188794145 /nfs/dbraw/zinc/79/41/45/1188794145.db2.gz REMGYLJXLZTUBN-UHFFFAOYSA-N 0 0 196.279 1.173 10 0 ADAERN CC(C)COC(=O)Nc1cnccn1 242926733 1188794164 /nfs/dbraw/zinc/79/41/64/1188794164.db2.gz GWZQJCXZCUQSRR-UHFFFAOYSA-N 0 0 195.222 1.681 10 0 ADAERN CCNC(=O)Oc1ccccc1OC 243282325 1188794183 /nfs/dbraw/zinc/79/41/83/1188794183.db2.gz LBEKVOCYERPLBK-UHFFFAOYSA-N 0 0 195.218 1.804 10 0 ADAERN CC(C)NC(=S)Nc1cccnn1 244171519 1188794207 /nfs/dbraw/zinc/79/42/07/1188794207.db2.gz VDUHFBFCSGEELG-UHFFFAOYSA-N 0 0 196.279 1.171 10 0 ADAERN CC(C)OC(=O)Nc1cccnn1 243866241 1188794247 /nfs/dbraw/zinc/79/42/47/1188794247.db2.gz RKFQUADULFJTMB-UHFFFAOYSA-N 0 0 181.195 1.434 10 0 ADAERN CCNC(=O)Oc1ccc(F)cc1 243225450 1188794262 /nfs/dbraw/zinc/79/42/62/1188794262.db2.gz KJVUFJCLYMRVJX-UHFFFAOYSA-N 0 0 183.182 1.934 10 0 ADAERN CC[C@@H](CO)NC(=O)O[C@@H](C)CC 243035930 1188794291 /nfs/dbraw/zinc/79/42/91/1188794291.db2.gz ICUORBQQXMIYGP-YUMQZZPRSA-N 0 0 189.255 1.282 10 0 ADAERN Cc1cnc(NC(=O)OC(C)C)cn1 244136782 1188794310 /nfs/dbraw/zinc/79/43/10/1188794310.db2.gz UMWNAYKORMBBFI-UHFFFAOYSA-N 0 0 195.222 1.742 10 0 ADAERN O=C(Nc1ncccc1O)NC1CC1 244506362 1188794314 /nfs/dbraw/zinc/79/43/14/1188794314.db2.gz ZLRMXGOFXOBSBP-UHFFFAOYSA-N 0 0 193.206 1.071 10 0 ADAERN CC[C@@H](C)OC(=O)Nc1ncccn1 242858918 1188794334 /nfs/dbraw/zinc/79/43/34/1188794334.db2.gz GEBQWOAYRDYZKG-SSDOTTSWSA-N 0 0 195.222 1.824 10 0 ADAERN CC[C@H](C)OC(=O)N1CCOCC1 243432394 1188794350 /nfs/dbraw/zinc/79/43/50/1188794350.db2.gz MZYXPMJGWZZIBJ-QMMMGPOBSA-N 0 0 187.239 1.254 10 0 ADAERN CCCCOC(=O)NCCCOC 243845248 1188794386 /nfs/dbraw/zinc/79/43/86/1188794386.db2.gz RDCMDKCMENVSLM-UHFFFAOYSA-N 0 0 189.255 1.549 10 0 ADAERN 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379355774 1188817148 /nfs/dbraw/zinc/81/71/48/1188817148.db2.gz MBPVMFBKHUBJJD-VIFPVBQESA-N 0 0 179.267 1.707 10 0 ADAERN CCOCc1nnc([C@H]2C[C@H]2C)o1 379377165 1188817330 /nfs/dbraw/zinc/81/73/30/1188817330.db2.gz WMSVQRUAXDYRHP-RQJHMYQMSA-N 0 0 182.223 1.730 10 0 ADAERN CCOCc1nnc([C@H]2C[C@@H]2C)o1 379377162 1188817369 /nfs/dbraw/zinc/81/73/69/1188817369.db2.gz WMSVQRUAXDYRHP-BQBZGAKWSA-N 0 0 182.223 1.730 10 0 ADAERN CCOCc1nnc([C@@H]2C[C@H]2C)o1 379377164 1188817437 /nfs/dbraw/zinc/81/74/37/1188817437.db2.gz WMSVQRUAXDYRHP-RNFRBKRXSA-N 0 0 182.223 1.730 10 0 ADAERN CCOCc1nnc([C@@H]2C[C@@H]2C)o1 379377163 1188817557 /nfs/dbraw/zinc/81/75/57/1188817557.db2.gz WMSVQRUAXDYRHP-NKWVEPMBSA-N 0 0 182.223 1.730 10 0 ADAERN CC(C)C(=O)NCC[C@@H](O)C(C)C 379394488 1188817861 /nfs/dbraw/zinc/81/78/61/1188817861.db2.gz XLYYVWQNWIQQSJ-SECBINFHSA-N 0 0 187.283 1.166 10 0 ADAERN CC(C)C(=O)NCC[C@H](O)C(C)C 379394489 1188818001 /nfs/dbraw/zinc/81/80/01/1188818001.db2.gz XLYYVWQNWIQQSJ-VIFPVBQESA-N 0 0 187.283 1.166 10 0 ADAERN N#Cc1cccc(C(=O)N2CC=CC2)c1 379963621 1188819100 /nfs/dbraw/zinc/81/91/00/1188819100.db2.gz XXTUYFUGDWOXME-UHFFFAOYSA-N 0 0 198.225 1.570 10 0 ADAERN CCCOC(=O)[C@@H]1[C@@H](C)C1(F)F 388390554 1188819967 /nfs/dbraw/zinc/81/99/67/1188819967.db2.gz BQLXBCGGAJSLPT-RITPCOANSA-N 0 0 178.178 1.841 10 0 ADAERN CO[C@H](C)CN[C@H](C)C(F)(F)F 388390484 1188819993 /nfs/dbraw/zinc/81/99/93/1188819993.db2.gz BMVACKGOUZXBCH-PHDIDXHHSA-N 0 0 185.189 1.562 10 0 ADAERN CO[C@@H](C)CN[C@@H](C)C(F)(F)F 388390486 1188820010 /nfs/dbraw/zinc/82/00/10/1188820010.db2.gz BMVACKGOUZXBCH-WDSKDSINSA-N 0 0 185.189 1.562 10 0 ADAERN CO[C@@H](C)CN[C@H](C)C(F)(F)F 388390481 1188820073 /nfs/dbraw/zinc/82/00/73/1188820073.db2.gz BMVACKGOUZXBCH-NTSWFWBYSA-N 0 0 185.189 1.562 10 0 ADAERN CO[C@H](C)CN[C@@H](C)C(F)(F)F 388390485 1188820163 /nfs/dbraw/zinc/82/01/63/1188820163.db2.gz BMVACKGOUZXBCH-RITPCOANSA-N 0 0 185.189 1.562 10 0 ADAERN Cc1nnc(CNCC(F)F)s1 391905275 1188821012 /nfs/dbraw/zinc/82/10/12/1188821012.db2.gz AMVKAZUEHLSXOL-UHFFFAOYSA-N 0 0 193.222 1.201 10 0 ADAERN CCCCNc1nccnc1N(C)C 393685412 1188821697 /nfs/dbraw/zinc/82/16/97/1188821697.db2.gz XVKHLROCENPBNM-UHFFFAOYSA-N 0 0 194.282 1.755 10 0 ADAERN COC(=O)/C(C#N)=C/C1CC1 393610313 1188821802 /nfs/dbraw/zinc/82/18/02/1188821802.db2.gz BQLJBOXSHHKBSY-QPJJXVBHSA-N 0 0 151.165 1.019 10 0 ADAERN CON=Cc1c(Cl)cnn1C 393649950 1188822056 /nfs/dbraw/zinc/82/20/56/1188822056.db2.gz AWSOTZPMYSTZJG-UHFFFAOYSA-N 0 0 173.603 1.054 10 0 ADAERN C/C=C(/C)C(=O)OCCCF 393650498 1188822085 /nfs/dbraw/zinc/82/20/85/1188822085.db2.gz CGSQOVRXPFPZFS-CLTKARDFSA-N 0 0 160.188 1.855 10 0 ADAERN OCCSCCSCC1CC1 393656177 1188822291 /nfs/dbraw/zinc/82/22/91/1188822291.db2.gz UEYTXUMYFYVPDK-UHFFFAOYSA-N 0 0 192.349 1.855 10 0 ADAERN C/C=C(\C)C(=O)OCCCF 393650499 1188822297 /nfs/dbraw/zinc/82/22/97/1188822297.db2.gz CGSQOVRXPFPZFS-XVNBXDOJSA-N 0 0 160.188 1.855 10 0 ADAERN CCCc1nnc([C@H](C)N(C)C)o1 393721403 1188822414 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PWFWHGLPFCCOIE-SSDOTTSWSA-N 0 0 175.228 1.156 10 0 ADAERN CON(C)C(=O)OCCC(C)C 586475144 1188823345 /nfs/dbraw/zinc/82/33/45/1188823345.db2.gz BPNAXGIRYPEZKB-UHFFFAOYSA-N 0 0 175.228 1.662 10 0 ADAERN CC[C@H](C)OC(=O)Nc1ccncc1 586478663 1188823347 /nfs/dbraw/zinc/82/33/47/1188823347.db2.gz KZYANVHSDYZSBL-QMMMGPOBSA-N 0 0 194.234 1.851 10 0 ADAERN COC[C@H](C)OC(=O)NC(C)C 586475169 1188823354 /nfs/dbraw/zinc/82/33/54/1188823354.db2.gz PWFWHGLPFCCOIE-ZETCQYMHSA-N 0 0 175.228 1.156 10 0 ADAERN COC[C@H](C)OC(=O)NCC(C)C 586475514 1188823398 /nfs/dbraw/zinc/82/33/98/1188823398.db2.gz TWOMFEKRKODACU-QMMMGPOBSA-N 0 0 189.255 1.404 10 0 ADAERN COC[C@@H](C)OC(=O)NCC(C)C 586475513 1188823402 /nfs/dbraw/zinc/82/34/02/1188823402.db2.gz TWOMFEKRKODACU-MRVPVSSYSA-N 0 0 189.255 1.404 10 0 ADAERN CCN(CC)C(=O)O[C@@H](C)COC 586478296 1188823407 /nfs/dbraw/zinc/82/34/07/1188823407.db2.gz XYHGZERYLMRWBW-QMMMGPOBSA-N 0 0 189.255 1.500 10 0 ADAERN CCOc1cccnc1NC(=O)OC 586481809 1188823430 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/nfs/dbraw/zinc/82/38/48/1188823848.db2.gz JCVRQFQBWGMMIL-UHFFFAOYSA-N 0 0 142.227 1.205 10 0 ADAERN C/C=C/C(=O)N1CC[C@@H]1C 606242927 1188823889 /nfs/dbraw/zinc/82/38/89/1188823889.db2.gz JAAHDMZWBFWIJT-SDLBARTOSA-N 0 0 139.198 1.183 10 0 ADAERN CC(=O)N[C@@H](C)C1(C)CC1 606244790 1188823981 /nfs/dbraw/zinc/82/39/81/1188823981.db2.gz MDQXKYVUDFPMCJ-LURJTMIESA-N 0 0 141.214 1.311 10 0 ADAERN C/C=C\C(=O)N1CC[C@H]1C 606242925 1188824059 /nfs/dbraw/zinc/82/40/59/1188824059.db2.gz JAAHDMZWBFWIJT-KFOINNEUSA-N 0 0 139.198 1.183 10 0 ADAERN CCC(=O)Nc1ccns1 606246011 1188824069 /nfs/dbraw/zinc/82/40/69/1188824069.db2.gz VXPPMFOTVGQENT-UHFFFAOYSA-N 0 0 156.210 1.492 10 0 ADAERN CC(=O)NC1(C)CC=CC1 606242986 1188824135 /nfs/dbraw/zinc/82/41/35/1188824135.db2.gz PNDPUDJUWCSUEP-UHFFFAOYSA-N 0 0 139.198 1.231 10 0 ADAERN Cc1cc(-c2cncn2C)ccc1N 606258767 1188824315 /nfs/dbraw/zinc/82/43/15/1188824315.db2.gz OZTYHJKKKIWWJX-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1ccc(-c2cncn2C)cc1N 606258760 1188824323 /nfs/dbraw/zinc/82/43/23/1188824323.db2.gz ONYSMIXTJOIDMZ-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C=CC(=O)Nc1cnn(C)c1Cl 606258125 1188824372 /nfs/dbraw/zinc/82/43/72/1188824372.db2.gz YXROQBVMMZJGEP-UHFFFAOYSA-N 0 0 185.614 1.198 10 0 ADAERN Cc1cc(N)ccc1-c1cncn1C 606258769 1188824376 /nfs/dbraw/zinc/82/43/76/1188824376.db2.gz PNIAXESBPTXHCG-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1ccc(N)cc1-c1cncn1C 606258414 1188824419 /nfs/dbraw/zinc/82/44/19/1188824419.db2.gz CXTOOPISWUSPCI-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1ccc(N)c(-c2cncn2C)c1 606258728 1188824446 /nfs/dbraw/zinc/82/44/46/1188824446.db2.gz MNUGOULSVBAHLR-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1c(F)ncnc1N1CCC[C@@H]1C 696361049 1188824620 /nfs/dbraw/zinc/82/46/20/1188824620.db2.gz HKKFBUMOZVKYCL-ZETCQYMHSA-N 0 0 195.241 1.913 10 0 ADAERN Cc1c(F)ncnc1N(C)CC1CC1 696360958 1188824669 /nfs/dbraw/zinc/82/46/69/1188824669.db2.gz GPLRZXZVHHDWAL-UHFFFAOYSA-N 0 0 195.241 1.770 10 0 ADAERN 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697831162 /nfs/dbraw/zinc/83/11/62/697831162.db2.gz ZRQDIQHKNUJNGU-UHFFFAOYSA-N 0 0 186.276 1.978 10 0 ADAERN CCSCCOC(=O)[C@@H](C)OC 379338068 697831227 /nfs/dbraw/zinc/83/12/27/697831227.db2.gz BYWDWZVJWRSKCJ-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN C/C=C\C(=O)NC[C@@H](C)C1CC1 379338220 697831485 /nfs/dbraw/zinc/83/14/85/697831485.db2.gz FWNXKEWUFCLEGO-TUUFMJSCSA-N 0 0 167.252 1.725 10 0 ADAERN Cc1nc(CN(C)CCF)cs1 379338267 697831563 /nfs/dbraw/zinc/83/15/63/697831563.db2.gz HBLPESOCNGNUJU-UHFFFAOYSA-N 0 0 188.271 1.853 10 0 ADAERN CSCCC(=O)OC[C@@H]1C[C@H]1C 379338239 697831654 /nfs/dbraw/zinc/83/16/54/697831654.db2.gz GLEMUIGKBXRMSY-SFYZADRCSA-N 0 0 188.292 1.939 10 0 ADAERN CN(CCF)Cc1cccnc1 379338241 697831716 /nfs/dbraw/zinc/83/17/16/697831716.db2.gz GLOGHTYPAHGLSW-UHFFFAOYSA-N 0 0 168.215 1.483 10 0 ADAERN CSCCC(=O)OC[C@H]1C[C@@H]1C 379338238 697831742 /nfs/dbraw/zinc/83/17/42/697831742.db2.gz GLEMUIGKBXRMSY-JGVFFNPUSA-N 0 0 188.292 1.939 10 0 ADAERN CSCCC(=O)OC[C@@H]1C[C@@H]1C 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CC/C=C(\C)C(=O)N[C@H](C)C[C@H](C)O 379341237 697832878 /nfs/dbraw/zinc/83/28/78/697832878.db2.gz DXSNURUOSSAGFQ-ZQMPTTJKSA-N 0 0 199.294 1.618 10 0 ADAERN CC/C=C(\C)C(=O)N[C@H](C)C[C@@H](C)O 379341236 697832915 /nfs/dbraw/zinc/83/29/15/697832915.db2.gz DXSNURUOSSAGFQ-IZRRHEBBSA-N 0 0 199.294 1.618 10 0 ADAERN CC/C=C(\C)C(=O)N[C@H](C)[C@H](C)CO 379346056 697833352 /nfs/dbraw/zinc/83/33/52/697833352.db2.gz VJXRGGITQMAAEQ-IZRRHEBBSA-N 0 0 199.294 1.476 10 0 ADAERN CC/C=C(\C)C(=O)N[C@H](C)[C@@H](C)CO 379346057 697833471 /nfs/dbraw/zinc/83/34/71/697833471.db2.gz VJXRGGITQMAAEQ-JSJQHLISSA-N 0 0 199.294 1.476 10 0 ADAERN CCCOC(=O)NCc1cn[nH]c1 379347543 697833515 /nfs/dbraw/zinc/83/35/15/697833515.db2.gz AIKMABYTVBVRCY-UHFFFAOYSA-N 0 0 183.211 1.046 10 0 ADAERN Cc1ccnc(NCCCCF)n1 379349302 697833994 /nfs/dbraw/zinc/83/39/94/697833994.db2.gz OHPBSPNIPLEAHX-UHFFFAOYSA-N 0 0 183.230 1.369 10 0 ADAERN C/C=C/C=C\C(=O)Nc1ccon1 379351375 697834006 /nfs/dbraw/zinc/83/40/06/697834006.db2.gz 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1.531 10 0 ADAERN COC[C@H](C)C(=O)O[C@H]1C=CCC1 379381330 697857664 /nfs/dbraw/zinc/85/76/64/697857664.db2.gz CXFRECXJZNPWQC-IUCAKERBSA-N 0 0 184.235 1.531 10 0 ADAERN C#C[C@H](C)N(C)C(=O)[C@@H](C)C(C)C 379381730 697857695 /nfs/dbraw/zinc/85/76/95/697857695.db2.gz HILIBGNBHPVQOK-UWVGGRQHSA-N 0 0 181.279 1.759 10 0 ADAERN CC(=O)CCCOC(=O)C(C)(C)C 379381678 697857699 /nfs/dbraw/zinc/85/76/99/697857699.db2.gz DFQBOFBZDIZLEZ-UHFFFAOYSA-N 0 0 186.251 1.945 10 0 ADAERN O=C(OCC(F)F)[C@@H]1C[C@H]1C1CC1 379381531 697857752 /nfs/dbraw/zinc/85/77/52/697857752.db2.gz HAFSDYWHKKLJOV-NKWVEPMBSA-N 0 0 190.189 1.841 10 0 ADAERN C/C=C/C(=O)N(C)CC(C)(C)OC 379381975 697857768 /nfs/dbraw/zinc/85/77/68/697857768.db2.gz DKTJCTLVXSWTGE-VOTSOKGWSA-N 0 0 185.267 1.446 10 0 ADAERN COC[C@H](C)C(=O)O[C@@H](C)C(F)F 379381366 697857840 /nfs/dbraw/zinc/85/78/40/697857840.db2.gz CZGWLXPNIUHZHD-WDSKDSINSA-N 0 0 196.193 1.466 10 0 ADAERN COC[C@@H](C)C(=O)O[C@@H](C)C(F)F 379381365 697857893 /nfs/dbraw/zinc/85/78/93/697857893.db2.gz CZGWLXPNIUHZHD-RITPCOANSA-N 0 0 196.193 1.466 10 0 ADAERN O=C(OCC(F)F)[C@H]1C[C@H]1C1CC1 379381528 697857911 /nfs/dbraw/zinc/85/79/11/697857911.db2.gz HAFSDYWHKKLJOV-BQBZGAKWSA-N 0 0 190.189 1.841 10 0 ADAERN CC(=O)COC(=O)[C@@H]1[C@H]2CCC[C@H]21 379381845 697857916 /nfs/dbraw/zinc/85/79/16/697857916.db2.gz DGPGCGPRQVKDJG-BRPSZJMVSA-N 0 0 182.219 1.165 10 0 ADAERN C[C@@H](O)COC(=O)C1(CCF)CC1 379382211 697858089 /nfs/dbraw/zinc/85/80/89/697858089.db2.gz IHBUFXGELGWFKV-SSDOTTSWSA-N 0 0 190.214 1.050 10 0 ADAERN CC(C)(C)CN=Nc1cccnn1 379382070 697858096 /nfs/dbraw/zinc/85/80/96/697858096.db2.gz DOUDTHHSIXFJRA-UHFFFAOYSA-N 0 0 178.239 1.920 10 0 ADAERN CCCN(C)C(=O)C1=COCCC1 379382365 697858121 /nfs/dbraw/zinc/85/81/21/697858121.db2.gz DYRIEPVQSIUATJ-UHFFFAOYSA-N 0 0 183.251 1.549 10 0 ADAERN C/C=C/COC(=O)c1cc(C)no1 379382293 697858169 /nfs/dbraw/zinc/85/81/69/697858169.db2.gz DWHVKBXPOHWTAK-ONEGZZNKSA-N 0 0 181.191 1.716 10 0 ADAERN C/C=C\COC(=O)c1cc(C)no1 379382292 697858179 /nfs/dbraw/zinc/85/81/79/697858179.db2.gz DWHVKBXPOHWTAK-ARJAWSKDSA-N 0 0 181.191 1.716 10 0 ADAERN CC(=O)COC(=O)c1csnc1C 379382332 697858182 /nfs/dbraw/zinc/85/81/82/697858182.db2.gz DXDLBMVQEHCVBD-UHFFFAOYSA-N 0 0 199.231 1.197 10 0 ADAERN CC(=O)COC(=O)c1coc(C)c1 379382141 697858185 /nfs/dbraw/zinc/85/81/85/697858185.db2.gz DRPGFOVGRPYMDE-UHFFFAOYSA-N 0 0 182.175 1.334 10 0 ADAERN C[C@H](O)COC(=O)C1(CCF)CC1 379382212 697858279 /nfs/dbraw/zinc/85/82/79/697858279.db2.gz IHBUFXGELGWFKV-ZETCQYMHSA-N 0 0 190.214 1.050 10 0 ADAERN C[C@H](O)[C@@H](C)NC(=O)CCC1CC1 379382563 697858588 /nfs/dbraw/zinc/85/85/88/697858588.db2.gz JCMMUIUFKZCMBN-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN CCOCCNC(=O)/C=C\C1CC1 379382594 697858670 /nfs/dbraw/zinc/85/86/70/697858670.db2.gz JDSPSXLGVUSUDY-WAYWQWQTSA-N 0 0 183.251 1.105 10 0 ADAERN CCOCCNC(=O)/C=C/C1CC1 379382593 697858673 /nfs/dbraw/zinc/85/86/73/697858673.db2.gz JDSPSXLGVUSUDY-AATRIKPKSA-N 0 0 183.251 1.105 10 0 ADAERN C[C@H](NC(=O)CCC1CC1)[C@@H](C)O 379382560 697858723 /nfs/dbraw/zinc/85/87/23/697858723.db2.gz JCMMUIUFKZCMBN-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)OC(=O)[C@@H](C)N(C)CCF 379382656 697858740 /nfs/dbraw/zinc/85/87/40/697858740.db2.gz FKPUFRHLMHVROV-MRVPVSSYSA-N 0 0 191.246 1.228 10 0 ADAERN CC1(C(=O)OCC2(F)CC2)COC1 379382635 697858745 /nfs/dbraw/zinc/85/87/45/697858745.db2.gz FJPVHAIWEWHMER-UHFFFAOYSA-N 0 0 188.198 1.068 10 0 ADAERN CC(C)(C)COC(=O)C1(C)COC1 379382524 697858784 /nfs/dbraw/zinc/85/87/84/697858784.db2.gz FEFOPYNCRMSKCB-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN C[C@@H](O)[C@@H](C)NC(=O)CCC1CC1 379382558 697858905 /nfs/dbraw/zinc/85/89/05/697858905.db2.gz JCMMUIUFKZCMBN-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)OC(=O)[C@H](C)N(C)CCF 379382659 697858941 /nfs/dbraw/zinc/85/89/41/697858941.db2.gz FKPUFRHLMHVROV-QMMMGPOBSA-N 0 0 191.246 1.228 10 0 ADAERN C[C@H](O)[C@H](C)NC(=O)CCC1CC1 379382565 697858947 /nfs/dbraw/zinc/85/89/47/697858947.db2.gz JCMMUIUFKZCMBN-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN CC[C@@H](CCOC)OC(=O)C1CC1 379383338 697859179 /nfs/dbraw/zinc/85/91/79/697859179.db2.gz KRXWFUSGLLEFJW-VIFPVBQESA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)[C@H](C)OC(=O)C=C1CCC1 379383313 697859287 /nfs/dbraw/zinc/85/92/87/697859287.db2.gz GCERHHCGAPNGQD-QMMMGPOBSA-N 0 0 182.219 1.617 10 0 ADAERN CC[C@H](CCOC)OC(=O)C1CC1 379383337 697859440 /nfs/dbraw/zinc/85/94/40/697859440.db2.gz KRXWFUSGLLEFJW-SECBINFHSA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)C=C1CCC1 379383312 697859518 /nfs/dbraw/zinc/85/95/18/697859518.db2.gz GCERHHCGAPNGQD-MRVPVSSYSA-N 0 0 182.219 1.617 10 0 ADAERN CC(C)C(=O)OCCc1nccs1 379384892 697860456 /nfs/dbraw/zinc/86/04/56/697860456.db2.gz QLVTUUXGKFCZOA-UHFFFAOYSA-N 0 0 199.275 1.885 10 0 ADAERN CCOCCC(=O)O[C@@H](C)C1CC1 379384670 697860499 /nfs/dbraw/zinc/86/04/99/697860499.db2.gz PGUGOPBZSLPWKY-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN O=C(/C=C/C1CC1)NCCCCF 379385018 697860834 /nfs/dbraw/zinc/86/08/34/697860834.db2.gz RBLIJZRRQZIONC-AATRIKPKSA-N 0 0 185.242 1.819 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)OCC2CC2)O1 379385009 697860837 /nfs/dbraw/zinc/86/08/37/697860837.db2.gz RADKXJGWPVONEB-VXNVDRBHSA-N 0 0 184.235 1.507 10 0 ADAERN C[C@H](CO)NC(=O)/C=C\C(C)(C)C 379385027 697860865 /nfs/dbraw/zinc/86/08/65/697860865.db2.gz RDSGNJYWSMTHFH-RPSMYOMKSA-N 0 0 185.267 1.086 10 0 ADAERN O=C(/C=C\C1CC1)NCCCCF 379385019 697860879 /nfs/dbraw/zinc/86/08/79/697860879.db2.gz RBLIJZRRQZIONC-WAYWQWQTSA-N 0 0 185.242 1.819 10 0 ADAERN C[C@H]1CC[C@H](C(=O)OCC2CC2)O1 379385008 697860886 /nfs/dbraw/zinc/86/08/86/697860886.db2.gz RADKXJGWPVONEB-IONNQARKSA-N 0 0 184.235 1.507 10 0 ADAERN C[C@H](CO)NC(=O)/C=C/C(C)(C)C 379385026 697860929 /nfs/dbraw/zinc/86/09/29/697860929.db2.gz RDSGNJYWSMTHFH-HQZHTGGTSA-N 0 0 185.267 1.086 10 0 ADAERN CC[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] 379385439 697861296 /nfs/dbraw/zinc/86/12/96/697861296.db2.gz SYBZIWUFANTANA-NKWVEPMBSA-N 0 0 189.211 1.241 10 0 ADAERN CC[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] 379385441 697861302 /nfs/dbraw/zinc/86/13/02/697861302.db2.gz SYBZIWUFANTANA-RQJHMYQMSA-N 0 0 189.211 1.241 10 0 ADAERN CC[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] 379385438 697861402 /nfs/dbraw/zinc/86/14/02/697861402.db2.gz SYBZIWUFANTANA-BQBZGAKWSA-N 0 0 189.211 1.241 10 0 ADAERN CC(=O)OCCOc1cccnc1 379385820 697861532 /nfs/dbraw/zinc/86/15/32/697861532.db2.gz VLXPTUVPBNVWHN-UHFFFAOYSA-N 0 0 181.191 1.024 10 0 ADAERN CC[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] 379385440 697861541 /nfs/dbraw/zinc/86/15/41/697861541.db2.gz SYBZIWUFANTANA-RNFRBKRXSA-N 0 0 189.211 1.241 10 0 ADAERN CC1(C)CN(C(=O)/C=C\C2CC2)C1 379387121 697862329 /nfs/dbraw/zinc/86/23/29/697862329.db2.gz GROOHUKVMYNVSC-WAYWQWQTSA-N 0 0 179.263 1.821 10 0 ADAERN CCN(CCF)Cc1cnn(C)c1 379387250 697862591 /nfs/dbraw/zinc/86/25/91/697862591.db2.gz HABIXDCNNHCEBC-UHFFFAOYSA-N 0 0 185.246 1.212 10 0 ADAERN CC(=O)CCC(=O)O[C@H](C)C(F)F 379386923 697862665 /nfs/dbraw/zinc/86/26/65/697862665.db2.gz ZGNBKAAZDRMUCH-ZCFIWIBFSA-N 0 0 194.177 1.552 10 0 ADAERN COCC1(C(=O)OC2CCC2)CC1 379387049 697862679 /nfs/dbraw/zinc/86/26/79/697862679.db2.gz ZSXQBVRJTRVHPU-UHFFFAOYSA-N 0 0 184.235 1.509 10 0 ADAERN CC(=O)CCC(=O)O[C@@H](C)C(F)F 379386922 697862688 /nfs/dbraw/zinc/86/26/88/697862688.db2.gz ZGNBKAAZDRMUCH-LURJTMIESA-N 0 0 194.177 1.552 10 0 ADAERN CC(C)C[N@H+](C)CN1CCCC1=O 379387761 697863009 /nfs/dbraw/zinc/86/30/09/697863009.db2.gz IECGAILOKAWOSC-UHFFFAOYSA-N 0 0 184.283 1.154 10 0 ADAERN CC1CN(C(=O)CCOC(C)C)C1 379387441 697863236 /nfs/dbraw/zinc/86/32/36/697863236.db2.gz HIZNJMXYTNONFP-UHFFFAOYSA-N 0 0 185.267 1.280 10 0 ADAERN C/C=C/COC(=O)c1csc(N)n1 379387814 697863505 /nfs/dbraw/zinc/86/35/05/697863505.db2.gz IGCWEGHVPWQLKR-NSCUHMNNSA-N 0 0 198.247 1.289 10 0 ADAERN CC(C)[C@@H](C)OC(=O)C1=COCC1 379388225 697863533 /nfs/dbraw/zinc/86/35/33/697863533.db2.gz JCDSZRPLPJCLRY-MRVPVSSYSA-N 0 0 184.235 1.878 10 0 ADAERN C/C=C\COC(=O)c1csc(N)n1 379387813 697863632 /nfs/dbraw/zinc/86/36/32/697863632.db2.gz IGCWEGHVPWQLKR-IHWYPQMZSA-N 0 0 198.247 1.289 10 0 ADAERN CC(C)[C@H](C)OC(=O)C1=COCC1 379388226 697863780 /nfs/dbraw/zinc/86/37/80/697863780.db2.gz JCDSZRPLPJCLRY-QMMMGPOBSA-N 0 0 184.235 1.878 10 0 ADAERN CC1(F)CN(C(=O)/C=C\C2CC2)C1 379388141 697863839 /nfs/dbraw/zinc/86/38/39/697863839.db2.gz IYMAWEPGLFRDEJ-PLNGDYQASA-N 0 0 183.226 1.523 10 0 ADAERN CC(C)(C)COC(=O)C1=COCC1 379388539 697864220 /nfs/dbraw/zinc/86/42/20/697864220.db2.gz JOAIYYBPQYSICO-UHFFFAOYSA-N 0 0 184.235 1.880 10 0 ADAERN COCCOC(=O)[C@H]1CCC[C@H]1C 379388360 697864226 /nfs/dbraw/zinc/86/42/26/697864226.db2.gz JJSVTBRJFBUISL-BDAKNGLRSA-N 0 0 186.251 1.612 10 0 ADAERN COCCOC(=O)[C@H]1CCC[C@@H]1C 379388362 697864301 /nfs/dbraw/zinc/86/43/01/697864301.db2.gz JJSVTBRJFBUISL-IUCAKERBSA-N 0 0 186.251 1.612 10 0 ADAERN COCCOC(=O)[C@@H]1CCC[C@H]1C 379388363 697864306 /nfs/dbraw/zinc/86/43/06/697864306.db2.gz JJSVTBRJFBUISL-RKDXNWHRSA-N 0 0 186.251 1.612 10 0 ADAERN COCCOC(=O)[C@@H]1CCC[C@@H]1C 379388361 697864309 /nfs/dbraw/zinc/86/43/09/697864309.db2.gz JJSVTBRJFBUISL-DTWKUNHWSA-N 0 0 186.251 1.612 10 0 ADAERN CC[C@H](C)CC(=O)OC[C@H](C)CO 379389350 697864774 /nfs/dbraw/zinc/86/47/74/697864774.db2.gz LGNDAAHFRMURSU-DTWKUNHWSA-N 0 0 188.267 1.594 10 0 ADAERN CCCCC(=O)OCCC1(O)CC1 379388892 697864801 /nfs/dbraw/zinc/86/48/01/697864801.db2.gz KJYZERQVCMZWOU-UHFFFAOYSA-N 0 0 186.251 1.635 10 0 ADAERN CC[C@@H](C)CC(=O)OC[C@H](C)CO 379389352 697864811 /nfs/dbraw/zinc/86/48/11/697864811.db2.gz LGNDAAHFRMURSU-RKDXNWHRSA-N 0 0 188.267 1.594 10 0 ADAERN CCC(CC)C(=O)OC[C@@H](C)CO 379388942 697864818 /nfs/dbraw/zinc/86/48/18/697864818.db2.gz KNUDRNRWVMDORZ-QMMMGPOBSA-N 0 0 188.267 1.594 10 0 ADAERN CC[C@H](C)CC(=O)OC[C@@H](C)CO 379389351 697864823 /nfs/dbraw/zinc/86/48/23/697864823.db2.gz LGNDAAHFRMURSU-IUCAKERBSA-N 0 0 188.267 1.594 10 0 ADAERN CC[C@@H](C)CC(=O)OC[C@@H](C)CO 379389349 697864827 /nfs/dbraw/zinc/86/48/27/697864827.db2.gz LGNDAAHFRMURSU-BDAKNGLRSA-N 0 0 188.267 1.594 10 0 ADAERN CCC(CC)C(=O)OC[C@H](C)CO 379388941 697864837 /nfs/dbraw/zinc/86/48/37/697864837.db2.gz KNUDRNRWVMDORZ-MRVPVSSYSA-N 0 0 188.267 1.594 10 0 ADAERN CC(=O)CCN(C)C(=O)C1CCC1 379388842 697864875 /nfs/dbraw/zinc/86/48/75/697864875.db2.gz KHQKXJFXYWYMGB-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN COC(C)(C)C(=O)OCCCCF 379396390 697871638 /nfs/dbraw/zinc/87/16/38/697871638.db2.gz GPCRNMIJQHVRPG-UHFFFAOYSA-N 0 0 192.230 1.704 10 0 ADAERN CON(C)C(=O)NC[C@@H](C)C(C)C 379389769 697865043 /nfs/dbraw/zinc/86/50/43/697865043.db2.gz MGOOIYJNBFMDBZ-MRVPVSSYSA-N 0 0 188.271 1.481 10 0 ADAERN CON(C)C(=O)NC[C@H](C)C(C)C 379389770 697865089 /nfs/dbraw/zinc/86/50/89/697865089.db2.gz MGOOIYJNBFMDBZ-QMMMGPOBSA-N 0 0 188.271 1.481 10 0 ADAERN CC(C)[C@@H](F)C(=O)N(C)CC1CC1 379389781 697865120 /nfs/dbraw/zinc/86/51/20/697865120.db2.gz MHVXXAOHIWUYCF-SECBINFHSA-N 0 0 187.258 1.849 10 0 ADAERN CC(C)=CC(=O)OCC(=O)C1CC1 379389473 697865214 /nfs/dbraw/zinc/86/52/14/697865214.db2.gz LRYGLQQCPBFYLW-UHFFFAOYSA-N 0 0 182.219 1.475 10 0 ADAERN C/C=C/COC(=O)c1cccnc1 379389692 697865273 /nfs/dbraw/zinc/86/52/73/697865273.db2.gz MBLZWBSERSPDME-NSCUHMNNSA-N 0 0 177.203 1.815 10 0 ADAERN C/C=C\COC(=O)c1cccnc1 379389691 697865292 /nfs/dbraw/zinc/86/52/92/697865292.db2.gz MBLZWBSERSPDME-IHWYPQMZSA-N 0 0 177.203 1.815 10 0 ADAERN CC(C)[C@H](F)C(=O)N(C)CC1CC1 379389782 697865296 /nfs/dbraw/zinc/86/52/96/697865296.db2.gz MHVXXAOHIWUYCF-VIFPVBQESA-N 0 0 187.258 1.849 10 0 ADAERN CO[C@@H](C)CC(=O)OC1(C)CCC1 379389757 697865313 /nfs/dbraw/zinc/86/53/13/697865313.db2.gz MGDKAGOWERGBGC-QMMMGPOBSA-N 0 0 186.251 1.897 10 0 ADAERN CC(C)=C(C)C(=O)NCC[C@H](C)O 379389860 697865341 /nfs/dbraw/zinc/86/53/41/697865341.db2.gz MLVQPWLSUKXQNH-QMMMGPOBSA-N 0 0 185.267 1.230 10 0 ADAERN Cc1ncoc1COC(=O)C(C)C 379397406 697872176 /nfs/dbraw/zinc/87/21/76/697872176.db2.gz GSOOEMWHLDUDOZ-UHFFFAOYSA-N 0 0 183.207 1.682 10 0 ADAERN CO[C@H](C)CC(=O)OC1(C)CCC1 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C[C@@H](CCO)N[C@H]1CCCC1(F)F 379400799 697875671 /nfs/dbraw/zinc/87/56/71/697875671.db2.gz JLRTXSNYUMCZDF-YUMQZZPRSA-N 0 0 193.237 1.535 10 0 ADAERN C[C@@H](CCO)N[C@@H]1CCCC1(F)F 379400797 697875720 /nfs/dbraw/zinc/87/57/20/697875720.db2.gz JLRTXSNYUMCZDF-JGVFFNPUSA-N 0 0 193.237 1.535 10 0 ADAERN CC(C)OCCC(=O)N[C@@H]1C[C@@H]1C 379401975 697876229 /nfs/dbraw/zinc/87/62/29/697876229.db2.gz LYWFSJSDMKGBEL-DTWKUNHWSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)OCCC(=O)N[C@H]1C[C@H]1C 379401974 697876296 /nfs/dbraw/zinc/87/62/96/697876296.db2.gz LYWFSJSDMKGBEL-BDAKNGLRSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)OCCC(=O)N[C@H]1C[C@@H]1C 379401976 697876330 /nfs/dbraw/zinc/87/63/30/697876330.db2.gz LYWFSJSDMKGBEL-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN COC(=O)NCC(C)(C)C(F)(F)F 379401742 697876417 /nfs/dbraw/zinc/87/64/17/697876417.db2.gz LLGGKMMRAYZHHO-UHFFFAOYSA-N 0 0 199.172 1.931 10 0 ADAERN CC(C)(F)C(=O)OCCC1(O)CC1 379402427 697876937 /nfs/dbraw/zinc/87/69/37/697876937.db2.gz NAWLGCZTPZRKMT-UHFFFAOYSA-N 0 0 190.214 1.193 10 0 ADAERN C[C@H]1CC=CC[C@H]1COC(=O)CO 379402713 697877333 /nfs/dbraw/zinc/87/73/33/697877333.db2.gz NOVXAGRUSJVGLK-IUCAKERBSA-N 0 0 184.235 1.124 10 0 ADAERN C[C@@H]1CC=CC[C@H]1COC(=O)CO 379402711 697877340 /nfs/dbraw/zinc/87/73/40/697877340.db2.gz NOVXAGRUSJVGLK-BDAKNGLRSA-N 0 0 184.235 1.124 10 0 ADAERN COC[C@@H](C)C(=O)OCC(C)(C)C 379402891 697877445 /nfs/dbraw/zinc/87/74/45/697877445.db2.gz OAWJVCXZDYTPLM-MRVPVSSYSA-N 0 0 188.267 1.858 10 0 ADAERN COC[C@H](C)C(=O)OCC(C)(C)C 379402892 697877486 /nfs/dbraw/zinc/87/74/86/697877486.db2.gz OAWJVCXZDYTPLM-QMMMGPOBSA-N 0 0 188.267 1.858 10 0 ADAERN C[C@@H]1CC=CC[C@@H]1COC(=O)CO 379402714 697877491 /nfs/dbraw/zinc/87/74/91/697877491.db2.gz NOVXAGRUSJVGLK-RKDXNWHRSA-N 0 0 184.235 1.124 10 0 ADAERN C[C@H]1CC=CC[C@@H]1COC(=O)CO 379402712 697877538 /nfs/dbraw/zinc/87/75/38/697877538.db2.gz NOVXAGRUSJVGLK-DTWKUNHWSA-N 0 0 184.235 1.124 10 0 ADAERN CC(C)(C)/C=C\C(=O)N1CC(F)C1 379402880 697877715 /nfs/dbraw/zinc/87/77/15/697877715.db2.gz NZZCIRBCQVWEQL-PLNGDYQASA-N 0 0 185.242 1.769 10 0 ADAERN CCO[C@@H](C)C(=O)OCC1(C)CC1 379403129 697877731 /nfs/dbraw/zinc/87/77/31/697877731.db2.gz OLDVDCNEVQOPMO-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN COC[C@H](C)NC(=O)[C@@H]1CC1(C)C 379403323 697877988 /nfs/dbraw/zinc/87/79/88/697877988.db2.gz PAHNROGBNNGHPT-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN COCCN(C)C(=O)[C@@H]1CC1(C)C 379403306 697878008 /nfs/dbraw/zinc/87/80/08/697878008.db2.gz OXKUVSGAOYIWCW-QMMMGPOBSA-N 0 0 185.267 1.137 10 0 ADAERN COC[C@@H](C)NC(=O)[C@@H]1CC1(C)C 379403322 697878086 /nfs/dbraw/zinc/87/80/86/697878086.db2.gz PAHNROGBNNGHPT-SFYZADRCSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@@H](O)c1ccn(CCCCF)n1 379403183 697878123 /nfs/dbraw/zinc/87/81/23/697878123.db2.gz OQGZWQDKOREKAH-MRVPVSSYSA-N 0 0 186.230 1.686 10 0 ADAERN C[C@@H](CF)NC(=O)C(=O)C(C)(C)C 379403344 697878161 /nfs/dbraw/zinc/87/81/61/697878161.db2.gz PCQKDJFKPIVANG-LURJTMIESA-N 0 0 189.230 1.076 10 0 ADAERN C[C@H](O)c1ccn(CCCCF)n1 379403184 697878208 /nfs/dbraw/zinc/87/82/08/697878208.db2.gz OQGZWQDKOREKAH-QMMMGPOBSA-N 0 0 186.230 1.686 10 0 ADAERN CC/C=C(\C)C(=O)NN1CCCC1 379403307 697878291 /nfs/dbraw/zinc/87/82/91/697878291.db2.gz OXPJWOCQHGPEPH-RMKNXTFCSA-N 0 0 182.267 1.470 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)CC(C)C)C1 379403166 697878386 /nfs/dbraw/zinc/87/83/86/697878386.db2.gz OOYHKEOIDWVXMV-DTORHVGOSA-N 0 0 186.251 1.753 10 0 ADAERN COC[C@@H](C)OC(=O)/C=C\C1CC1 379403925 697878677 /nfs/dbraw/zinc/87/86/77/697878677.db2.gz QJAJTTKEHLHYON-RPSMYOMKSA-N 0 0 184.235 1.531 10 0 ADAERN COC[C@H](C)OC(=O)/C=C/C1CC1 379403923 697878688 /nfs/dbraw/zinc/87/86/88/697878688.db2.gz QJAJTTKEHLHYON-GJIOHYHPSA-N 0 0 184.235 1.531 10 0 ADAERN CCn1nccc1C(=O)OC1CC1 379403866 697878699 /nfs/dbraw/zinc/87/86/99/697878699.db2.gz QHPASTXLPCDBBR-UHFFFAOYSA-N 0 0 180.207 1.222 10 0 ADAERN COC[C@H](C)OC(=O)/C=C\C1CC1 379403926 697878752 /nfs/dbraw/zinc/87/87/52/697878752.db2.gz QJAJTTKEHLHYON-SLGIHZDVSA-N 0 0 184.235 1.531 10 0 ADAERN COC[C@@H](C)OC(=O)/C=C/C1CC1 379403924 697878828 /nfs/dbraw/zinc/87/88/28/697878828.db2.gz QJAJTTKEHLHYON-HQZHTGGTSA-N 0 0 184.235 1.531 10 0 ADAERN CC(C)C(=O)OCc1cncn1C 379403981 697878862 /nfs/dbraw/zinc/87/88/62/697878862.db2.gz QMNKKOLBNTXYQC-UHFFFAOYSA-N 0 0 182.223 1.119 10 0 ADAERN CC(=O)[C@H](C)OC(=O)CCC(F)F 379404407 697879160 /nfs/dbraw/zinc/87/91/60/697879160.db2.gz RLTADJUBOAGVSL-LURJTMIESA-N 0 0 194.177 1.552 10 0 ADAERN CCCOCCOC(=O)C1(C)CC1 379404331 697879325 /nfs/dbraw/zinc/87/93/25/697879325.db2.gz RHNVMFMNFUHYGM-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)CCC(F)F 379404408 697879449 /nfs/dbraw/zinc/87/94/49/697879449.db2.gz RLTADJUBOAGVSL-ZCFIWIBFSA-N 0 0 194.177 1.552 10 0 ADAERN CCCCC(=O)OCC(=O)C1CC1 379404812 697879956 /nfs/dbraw/zinc/87/99/56/697879956.db2.gz RXVZPIAKYLQPOC-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CC(C)[C@H](C)C(=O)OC[C@H](C)CO 379405125 697880221 /nfs/dbraw/zinc/88/02/21/697880221.db2.gz SONAOTTXSLAHEN-BDAKNGLRSA-N 0 0 188.267 1.450 10 0 ADAERN CC(C)OCC(=O)O[C@H]1C=CCC1 379405227 697880281 /nfs/dbraw/zinc/88/02/81/697880281.db2.gz SUKKTAFBVZGFCC-VIFPVBQESA-N 0 0 184.235 1.673 10 0 ADAERN CC(C)OCC(=O)O[C@@H]1C=CCC1 379405226 697880286 /nfs/dbraw/zinc/88/02/86/697880286.db2.gz SUKKTAFBVZGFCC-SECBINFHSA-N 0 0 184.235 1.673 10 0 ADAERN CC(C)[C@@H](C)C(=O)OC[C@@H](C)CO 379405126 697880316 /nfs/dbraw/zinc/88/03/16/697880316.db2.gz SONAOTTXSLAHEN-DTWKUNHWSA-N 0 0 188.267 1.450 10 0 ADAERN CC(C)[C@@H](C)C(=O)OC[C@H](C)CO 379405128 697880408 /nfs/dbraw/zinc/88/04/08/697880408.db2.gz SONAOTTXSLAHEN-RKDXNWHRSA-N 0 0 188.267 1.450 10 0 ADAERN CC(C)[C@H](C)C(=O)OC[C@@H](C)CO 379405127 697880436 /nfs/dbraw/zinc/88/04/36/697880436.db2.gz SONAOTTXSLAHEN-IUCAKERBSA-N 0 0 188.267 1.450 10 0 ADAERN CC(=O)[C@@H](C)OC(=O)C1(C)CCC1 379408386 697883681 /nfs/dbraw/zinc/88/36/81/697883681.db2.gz AVJBFHNODUZVHF-MRVPVSSYSA-N 0 0 184.235 1.697 10 0 ADAERN CC(C)(C)C(=O)OCCC1(O)CC1 379405709 697880618 /nfs/dbraw/zinc/88/06/18/697880618.db2.gz URZUCHPJQKRTBD-UHFFFAOYSA-N 0 0 186.251 1.491 10 0 ADAERN CCOC(=O)[C@@H](C)COC(=O)CC 379406309 697881406 /nfs/dbraw/zinc/88/14/06/697881406.db2.gz WAPYGAOKYFNZSP-ZETCQYMHSA-N 0 0 188.223 1.139 10 0 ADAERN CCC(=O)OC1([C@@H]2CCOC2)CC1 379406349 697881481 /nfs/dbraw/zinc/88/14/81/697881481.db2.gz WCYWZZJNKFBCKX-MRVPVSSYSA-N 0 0 184.235 1.509 10 0 ADAERN CCC(=O)OC1([C@H]2CCOC2)CC1 379406350 697881556 /nfs/dbraw/zinc/88/15/56/697881556.db2.gz WCYWZZJNKFBCKX-QMMMGPOBSA-N 0 0 184.235 1.509 10 0 ADAERN CCOC(=O)[C@H](C)COC(=O)CC 379406308 697881606 /nfs/dbraw/zinc/88/16/06/697881606.db2.gz WAPYGAOKYFNZSP-SSDOTTSWSA-N 0 0 188.223 1.139 10 0 ADAERN C=COCCOC(=O)C=C1CCC1 379407506 697882468 /nfs/dbraw/zinc/88/24/68/697882468.db2.gz YUZXWALBTJXCJA-UHFFFAOYSA-N 0 0 182.219 1.800 10 0 ADAERN CCCOC(=O)c1c[nH]nc1CC 379407620 697882484 /nfs/dbraw/zinc/88/24/84/697882484.db2.gz ZCWYHZKJHAKVJC-UHFFFAOYSA-N 0 0 182.223 1.539 10 0 ADAERN CNC(=O)/C=C\c1cncc(C)c1 379407349 697882601 /nfs/dbraw/zinc/88/26/01/697882601.db2.gz YLMIKFXGTUDCQM-ARJAWSKDSA-N 0 0 176.219 1.149 10 0 ADAERN CC(=O)OCc1ncc(C2CC2)o1 379407318 697882687 /nfs/dbraw/zinc/88/26/87/697882687.db2.gz YKFKQFFYXNAWOI-UHFFFAOYSA-N 0 0 181.191 1.615 10 0 ADAERN COc1ccc(CN(C)OC)cn1 379407515 697882772 /nfs/dbraw/zinc/88/27/72/697882772.db2.gz YVDYVOCHPCZDCZ-UHFFFAOYSA-N 0 0 182.223 1.083 10 0 ADAERN CC(C)C(=O)OCC1(O)CCCC1 379407828 697883273 /nfs/dbraw/zinc/88/32/73/697883273.db2.gz ZRDOPGMPPCPXTL-UHFFFAOYSA-N 0 0 186.251 1.491 10 0 ADAERN CC(=O)CCC(=O)OCC1(C)CC1 379408370 697883651 /nfs/dbraw/zinc/88/36/51/697883651.db2.gz AULBLSACDTUJNP-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CC[C@H](C)N(OC)C(=O)[C@@H]1C[C@@H]1C 379408051 697883654 /nfs/dbraw/zinc/88/36/54/697883654.db2.gz AHNQINLNNKJEAC-XHNCKOQMSA-N 0 0 185.267 1.831 10 0 ADAERN CC(=O)[C@H](C)OC(=O)C1(C)CCC1 379408387 697883721 /nfs/dbraw/zinc/88/37/21/697883721.db2.gz AVJBFHNODUZVHF-QMMMGPOBSA-N 0 0 184.235 1.697 10 0 ADAERN CC[C@H](C)N(OC)C(=O)[C@H]1C[C@H]1C 379408050 697883954 /nfs/dbraw/zinc/88/39/54/697883954.db2.gz AHNQINLNNKJEAC-VGMNWLOBSA-N 0 0 185.267 1.831 10 0 ADAERN CC[C@H](C)N(OC)C(=O)[C@@H]1C[C@H]1C 379408049 697883966 /nfs/dbraw/zinc/88/39/66/697883966.db2.gz AHNQINLNNKJEAC-HRDYMLBCSA-N 0 0 185.267 1.831 10 0 ADAERN CCc1noc(C)c1CN(C)OC 379409335 697884138 /nfs/dbraw/zinc/88/41/38/697884138.db2.gz CRTODWBNWPOEKO-UHFFFAOYSA-N 0 0 184.239 1.539 10 0 ADAERN C/C=C(/C)C(=O)OCC[C@H](C)OC 379408817 697884274 /nfs/dbraw/zinc/88/42/74/697884274.db2.gz BRPOUISTMXEPMT-RDOCRHDPSA-N 0 0 186.251 1.921 10 0 ADAERN C/C=C(/C)C(=O)OCC[C@@H](C)OC 379408815 697884282 /nfs/dbraw/zinc/88/42/82/697884282.db2.gz BRPOUISTMXEPMT-BZJXQOFCSA-N 0 0 186.251 1.921 10 0 ADAERN C/C=C(\C)C(=O)OCC[C@@H](C)OC 379408818 697884308 /nfs/dbraw/zinc/88/43/08/697884308.db2.gz BRPOUISTMXEPMT-WHXYTISESA-N 0 0 186.251 1.921 10 0 ADAERN C/C=C(\C)C(=O)OCc1ccon1 379409416 697884350 /nfs/dbraw/zinc/88/43/50/697884350.db2.gz CWNPLXUPVOLRNU-XVNBXDOJSA-N 0 0 181.191 1.684 10 0 ADAERN C/C(=C\C(=O)N[C@@H](C)CF)C1CC1 379408849 697884359 /nfs/dbraw/zinc/88/43/59/697884359.db2.gz BUJHLGUNMCZMAD-IVGLGHLBSA-N 0 0 185.242 1.817 10 0 ADAERN C/C=C(/C)C(=O)OCc1ccon1 379409415 697884405 /nfs/dbraw/zinc/88/44/05/697884405.db2.gz CWNPLXUPVOLRNU-CLTKARDFSA-N 0 0 181.191 1.684 10 0 ADAERN C/C(=C/C(=O)N[C@@H](C)CF)C1CC1 379408850 697884421 /nfs/dbraw/zinc/88/44/21/697884421.db2.gz BUJHLGUNMCZMAD-TVSKSKRASA-N 0 0 185.242 1.817 10 0 ADAERN C/C=C(\C)C(=O)OCC[C@H](C)OC 379408816 697884484 /nfs/dbraw/zinc/88/44/84/697884484.db2.gz BRPOUISTMXEPMT-QRJSTWQJSA-N 0 0 186.251 1.921 10 0 ADAERN C[C@@H](CO)COC(=O)CC(C)(F)F 379409640 697884692 /nfs/dbraw/zinc/88/46/92/697884692.db2.gz DIQHETBSFURTDC-LURJTMIESA-N 0 0 196.193 1.203 10 0 ADAERN CCN(C)C(=O)/C=C\c1ccc[nH]1 379409459 697884861 /nfs/dbraw/zinc/88/48/61/697884861.db2.gz CZDHJDHLQJFVAX-SREVYHEPSA-N 0 0 178.235 1.506 10 0 ADAERN C[C@H](CO)COC(=O)CC(C)(F)F 379409641 697884883 /nfs/dbraw/zinc/88/48/83/697884883.db2.gz DIQHETBSFURTDC-ZCFIWIBFSA-N 0 0 196.193 1.203 10 0 ADAERN CCN(C)C(=O)/C=C/c1ccc[nH]1 379409460 697884896 /nfs/dbraw/zinc/88/48/96/697884896.db2.gz CZDHJDHLQJFVAX-VOTSOKGWSA-N 0 0 178.235 1.506 10 0 ADAERN CCC(=O)CSc1nncn1CC 379409928 697884933 /nfs/dbraw/zinc/88/49/33/697884933.db2.gz DYOJZNHGPLFRIG-UHFFFAOYSA-N 0 0 199.279 1.369 10 0 ADAERN COCCCNC(=O)[C@@H]1CC1(C)C 379409820 697884954 /nfs/dbraw/zinc/88/49/54/697884954.db2.gz DQVXTIGMJWSOKX-QMMMGPOBSA-N 0 0 185.267 1.185 10 0 ADAERN C=CCN(C)C(=O)C1=CCCCO1 379410473 697885301 /nfs/dbraw/zinc/88/53/01/697885301.db2.gz GCPZLDXRFQPCRL-UHFFFAOYSA-N 0 0 181.235 1.325 10 0 ADAERN C/C=C(/C)C(=O)N(C)CCC(C)=O 379410012 697885315 /nfs/dbraw/zinc/88/53/15/697885315.db2.gz FFJBFSRDEOHPCM-YVMONPNESA-N 0 0 183.251 1.390 10 0 ADAERN CO[C@H](C)CCOC(=O)C=C(C)C 379410319 697885358 /nfs/dbraw/zinc/88/53/58/697885358.db2.gz FUXGJNVUDOOXOE-SECBINFHSA-N 0 0 186.251 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MGBXOXYISVBJEH-ROSGPLSXSA-N 0 0 198.262 1.921 10 0 ADAERN CC/C=C/COC(=O)[C@@H](C)NC(C)=O 727047282 698079801 /nfs/dbraw/zinc/07/98/01/698079801.db2.gz PJRCCDKWSHMVEI-HQZHTGGTSA-N 0 0 199.250 1.020 10 0 ADAERN CC/C=C\COC(=O)c1ccnn1C 727044185 698079796 /nfs/dbraw/zinc/07/97/96/698079796.db2.gz MMSZFHHKSULFIY-PLNGDYQASA-N 0 0 194.234 1.543 10 0 ADAERN CC/C=C\COC(=O)c1cnn(C)c1 727048211 698079869 /nfs/dbraw/zinc/07/98/69/698079869.db2.gz ZITCXZPGSSXZKQ-PLNGDYQASA-N 0 0 194.234 1.543 10 0 ADAERN CC/C=C\COC(=O)COCC1CC1 727044343 698079898 /nfs/dbraw/zinc/07/98/98/698079898.db2.gz RVDNBNOHHRGUTK-ARJAWSKDSA-N 0 0 198.262 1.922 10 0 ADAERN CC/C=C\COC(=O)[C@@H]1C[C@@H]1OCC 727044177 698079903 /nfs/dbraw/zinc/07/99/03/698079903.db2.gz MGBXOXYISVBJEH-LZCWPNQWSA-N 0 0 198.262 1.921 10 0 ADAERN CC/C=C/COC(=O)[C@H](C)NC(C)=O 727047280 698079909 /nfs/dbraw/zinc/07/99/09/698079909.db2.gz PJRCCDKWSHMVEI-GJIOHYHPSA-N 0 0 199.250 1.020 10 0 ADAERN CC/C=C\COC(=O)[C@@H](C)NC(C)=O 727047283 698079913 /nfs/dbraw/zinc/07/99/13/698079913.db2.gz PJRCCDKWSHMVEI-RPSMYOMKSA-N 0 0 199.250 1.020 10 0 ADAERN CC/C=C\COC(=O)[C@H](C)NC(C)=O 727047284 698080000 /nfs/dbraw/zinc/08/00/00/698080000.db2.gz PJRCCDKWSHMVEI-SLGIHZDVSA-N 0 0 199.250 1.020 10 0 ADAERN CC/C=C/COC(=O)C1CCOCC1 727045361 698080024 /nfs/dbraw/zinc/08/00/24/698080024.db2.gz KWICSUKYJYORMN-ONEGZZNKSA-N 0 0 198.262 1.922 10 0 ADAERN CC/C=C/COC(=O)COCC1CC1 727044344 698080052 /nfs/dbraw/zinc/08/00/52/698080052.db2.gz RVDNBNOHHRGUTK-ONEGZZNKSA-N 0 0 198.262 1.922 10 0 ADAERN CC/C=C\COC(=O)[C@@H]1C[C@H]1OCC 727044176 698080067 /nfs/dbraw/zinc/08/00/67/698080067.db2.gz MGBXOXYISVBJEH-KWMOZEJZSA-N 0 0 198.262 1.921 10 0 ADAERN CC/C=C/COC(=O)c1cnn(C)c1 727048212 698080137 /nfs/dbraw/zinc/08/01/37/698080137.db2.gz ZITCXZPGSSXZKQ-SNAWJCMRSA-N 0 0 194.234 1.543 10 0 ADAERN CN(CC1CC1)C(=O)C1=COCCC1 727748883 698080215 /nfs/dbraw/zinc/08/02/15/698080215.db2.gz MVWRDFDDVZIVEA-UHFFFAOYSA-N 0 0 195.262 1.549 10 0 ADAERN COCCC(=O)OC[C@H]1CC=CCC1 727061121 698080570 /nfs/dbraw/zinc/08/05/70/698080570.db2.gz FTRUMNWRZRTMMJ-JTQLQIEISA-N 0 0 198.262 1.922 10 0 ADAERN O=C(NCC1CCC1)C1=COCCC1 727755003 698080608 /nfs/dbraw/zinc/08/06/08/698080608.db2.gz NADPAAWMVYWVNH-UHFFFAOYSA-N 0 0 195.262 1.597 10 0 ADAERN CC(C)CCNC(=O)C1=COCCC1 727752188 698080660 /nfs/dbraw/zinc/08/06/60/698080660.db2.gz KIZQAVOHHLWADI-UHFFFAOYSA-N 0 0 197.278 1.843 10 0 ADAERN C/C=C\C(=O)NC(C)(C)C(=O)OCC 727341473 698080689 /nfs/dbraw/zinc/08/06/89/698080689.db2.gz DMANFBRJFSFFQB-ALCCZGGFSA-N 0 0 199.250 1.020 10 0 ADAERN C/C=C/C(=O)NC(C)(C)C(=O)OCC 727341475 698080704 /nfs/dbraw/zinc/08/07/04/698080704.db2.gz DMANFBRJFSFFQB-FNORWQNLSA-N 0 0 199.250 1.020 10 0 ADAERN CCC(C)(C)NC(=O)C1=COCCC1 727754305 698080708 /nfs/dbraw/zinc/08/07/08/698080708.db2.gz KNPMJZLNVLLYLP-UHFFFAOYSA-N 0 0 197.278 1.986 10 0 ADAERN CCCCN(C)C(=O)C1=COCCC1 727765409 698080960 /nfs/dbraw/zinc/08/09/60/698080960.db2.gz ASDNPBDQDKNTBW-UHFFFAOYSA-N 0 0 197.278 1.939 10 0 ADAERN C[C@H]1CCN1c1ncnc2c1CCC2 728201117 698081030 /nfs/dbraw/zinc/08/10/30/698081030.db2.gz HAOJNQPEBRYCER-QMMMGPOBSA-N 0 0 189.262 1.564 10 0 ADAERN C[C@@H]1CCN1c1ncnc2c1CCC2 728201116 698081060 /nfs/dbraw/zinc/08/10/60/698081060.db2.gz HAOJNQPEBRYCER-MRVPVSSYSA-N 0 0 189.262 1.564 10 0 ADAERN CCCN(CCC)C(=O)C1=COCC1 727765801 698081069 /nfs/dbraw/zinc/08/10/69/698081069.db2.gz HZWKBGIMDKYNSP-UHFFFAOYSA-N 0 0 197.278 1.939 10 0 ADAERN O=C(C1=COCCC1)N1CCCCC1 727765242 698081077 /nfs/dbraw/zinc/08/10/77/698081077.db2.gz PHCFIJSAOPQKAY-UHFFFAOYSA-N 0 0 195.262 1.693 10 0 ADAERN O=C(Nc1cn[nH]c1)C1=COCCC1 727766909 698081095 /nfs/dbraw/zinc/08/10/95/698081095.db2.gz JODJGDSEHSSQLO-UHFFFAOYSA-N 0 0 193.206 1.043 10 0 ADAERN CCONC(=O)C[C@H](C)n1cccc1 729283339 698081454 /nfs/dbraw/zinc/08/14/54/698081454.db2.gz GIRCLKVQHFMWBV-VIFPVBQESA-N 0 0 196.250 1.507 10 0 ADAERN CCONC(=O)C[C@@H](C)n1cccc1 729283338 698081586 /nfs/dbraw/zinc/08/15/86/698081586.db2.gz GIRCLKVQHFMWBV-SECBINFHSA-N 0 0 196.250 1.507 10 0 ADAERN CON(C)C(=O)C[C@@H](C)n1cccc1 729511718 698081968 /nfs/dbraw/zinc/08/19/68/698081968.db2.gz UMZVYGDCDWZFDR-SECBINFHSA-N 0 0 196.250 1.459 10 0 ADAERN CON(C)C(=O)C[C@H](C)n1cccc1 729511719 698082033 /nfs/dbraw/zinc/08/20/33/698082033.db2.gz UMZVYGDCDWZFDR-VIFPVBQESA-N 0 0 196.250 1.459 10 0 ADAERN O=C(Nc1cc[nH]n1)C1=COCCC1 729628295 698082122 /nfs/dbraw/zinc/08/21/22/698082122.db2.gz AZANKJNMVIMIFZ-UHFFFAOYSA-N 0 0 193.206 1.043 10 0 ADAERN CCC/C=C/C(=O)N1CCCOCC1 729347305 698082167 /nfs/dbraw/zinc/08/21/67/698082167.db2.gz BCWMCHJADSMMFI-GQCTYLIASA-N 0 0 197.278 1.592 10 0 ADAERN CCC/C=C\C(=O)N1CCCOCC1 729347306 698082193 /nfs/dbraw/zinc/08/21/93/698082193.db2.gz BCWMCHJADSMMFI-XQRVVYSFSA-N 0 0 197.278 1.592 10 0 ADAERN O=C(Nc1cnoc1)C1=COCCC1 730749947 698082351 /nfs/dbraw/zinc/08/23/51/698082351.db2.gz YCNPMIAARIATGX-UHFFFAOYSA-N 0 0 194.190 1.307 10 0 ADAERN C[C@H]1CCN(C(=O)C2=COCCC2)C1 730775019 698082355 /nfs/dbraw/zinc/08/23/55/698082355.db2.gz QSGJNLRUDIJYEM-VIFPVBQESA-N 0 0 195.262 1.549 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)C1=COCCC1 730771869 698082367 /nfs/dbraw/zinc/08/23/67/698082367.db2.gz XDNFGDKCWSGSPR-SCZZXKLOSA-N 0 0 195.262 1.453 10 0 ADAERN CCC/C=C\C(=O)N(C)[C@@H]1CCOC1 730243648 698082372 /nfs/dbraw/zinc/08/23/72/698082372.db2.gz NQWHEHJGJPTJAM-WWQCOOJYSA-N 0 0 197.278 1.590 10 0 ADAERN CCN(C(=O)C1=COCCC1)C1CC1 730744475 698082404 /nfs/dbraw/zinc/08/24/04/698082404.db2.gz KIPVEOQNIXOHTQ-UHFFFAOYSA-N 0 0 195.262 1.692 10 0 ADAERN CCC/C=C/C(=O)N(C)[C@H]1CCOC1 730243646 698082416 /nfs/dbraw/zinc/08/24/16/698082416.db2.gz NQWHEHJGJPTJAM-PORFMDCZSA-N 0 0 197.278 1.590 10 0 ADAERN CC(C)CN(C)C(=O)C1=COCCC1 730745283 698082439 /nfs/dbraw/zinc/08/24/39/698082439.db2.gz IFAMZCNXIOPFEB-UHFFFAOYSA-N 0 0 197.278 1.795 10 0 ADAERN CC/C=C(/C)C(=O)N(C)[C@@H]1CCOC1 730242885 698082450 /nfs/dbraw/zinc/08/24/50/698082450.db2.gz BGBAQFTXJDMXIH-HYHWUIIZSA-N 0 0 197.278 1.590 10 0 ADAERN CC/C=C(/C)C(=O)N(C)[C@H]1CCOC1 730242883 698082461 /nfs/dbraw/zinc/08/24/61/698082461.db2.gz BGBAQFTXJDMXIH-BSKOKIOFSA-N 0 0 197.278 1.590 10 0 ADAERN C/C=C/C=C\C(=O)N(C)[C@H]1CCOC1 730242934 698082527 /nfs/dbraw/zinc/08/25/27/698082527.db2.gz DZXVTJVGRNZLQR-JOWDJYSLSA-N 0 0 195.262 1.366 10 0 ADAERN CC/C=C(\C)C(=O)N(C)[C@H]1CCOC1 730242884 698082533 /nfs/dbraw/zinc/08/25/33/698082533.db2.gz BGBAQFTXJDMXIH-CYNRKNSPSA-N 0 0 197.278 1.590 10 0 ADAERN CCC(CC)NC(=O)C1=COCCC1 730738238 698082540 /nfs/dbraw/zinc/08/25/40/698082540.db2.gz GZJXUQGSJYWCLD-UHFFFAOYSA-N 0 0 197.278 1.986 10 0 ADAERN CCCN(CC)C(=O)C1=COCCC1 730745770 698082554 /nfs/dbraw/zinc/08/25/54/698082554.db2.gz YITIOCCTWUAUCV-UHFFFAOYSA-N 0 0 197.278 1.939 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)C1=COCCC1 730771870 698082573 /nfs/dbraw/zinc/08/25/73/698082573.db2.gz XDNFGDKCWSGSPR-WCBMZHEXSA-N 0 0 195.262 1.453 10 0 ADAERN CCC/C=C/C(=O)N(C)[C@@H]1CCOC1 730243643 698082579 /nfs/dbraw/zinc/08/25/79/698082579.db2.gz NQWHEHJGJPTJAM-BRAIEQGRSA-N 0 0 197.278 1.590 10 0 ADAERN CC/C=C(\C)C(=O)N(C)[C@@H]1CCOC1 730242886 698082514 /nfs/dbraw/zinc/08/25/14/698082514.db2.gz BGBAQFTXJDMXIH-NAZIUFLLSA-N 0 0 197.278 1.590 10 0 ADAERN C/C=C/C=C/C(=O)N(C)[C@@H]1CCOC1 730242936 698082618 /nfs/dbraw/zinc/08/26/18/698082618.db2.gz DZXVTJVGRNZLQR-MGCXLJFFSA-N 0 0 195.262 1.366 10 0 ADAERN CCC[C@@H](C)NC(=O)C1=COCCC1 730738435 698082623 /nfs/dbraw/zinc/08/26/23/698082623.db2.gz UJNXLJJMPXLYLT-SECBINFHSA-N 0 0 197.278 1.986 10 0 ADAERN CC[C@@H](C)N(C)C(=O)C1=COCCC1 730745285 698082637 /nfs/dbraw/zinc/08/26/37/698082637.db2.gz IIWJTHJZOUWRFA-SECBINFHSA-N 0 0 197.278 1.938 10 0 ADAERN CCC/C=C\C(=O)N(C)[C@H]1CCOC1 730243644 698082643 /nfs/dbraw/zinc/08/26/43/698082643.db2.gz NQWHEHJGJPTJAM-OMMCCPJFSA-N 0 0 197.278 1.590 10 0 ADAERN CC(C)(C)CNC(=O)C1=COCCC1 730748318 698082648 /nfs/dbraw/zinc/08/26/48/698082648.db2.gz PKMGNPHOQLWFBV-UHFFFAOYSA-N 0 0 197.278 1.843 10 0 ADAERN C/C=C/C=C\C(=O)N(C)[C@@H]1CCOC1 730242935 698082672 /nfs/dbraw/zinc/08/26/72/698082672.db2.gz DZXVTJVGRNZLQR-LLUULLFCSA-N 0 0 195.262 1.366 10 0 ADAERN CCCCCCOCC(=O)NC1CC1 730768919 698082707 /nfs/dbraw/zinc/08/27/07/698082707.db2.gz LKTAIPZHBHHCNE-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CCCCCCOCC(=O)N1CCC1 730769144 698082719 /nfs/dbraw/zinc/08/27/19/698082719.db2.gz AGJWJPQBNQVFEW-UHFFFAOYSA-N 0 0 199.294 1.816 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)C1=COCCC1 730771871 698082742 /nfs/dbraw/zinc/08/27/42/698082742.db2.gz XDNFGDKCWSGSPR-WPRPVWTQSA-N 0 0 195.262 1.453 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)C1=COCCC1 730771868 698082593 /nfs/dbraw/zinc/08/25/93/698082593.db2.gz XDNFGDKCWSGSPR-PSASIEDQSA-N 0 0 195.262 1.453 10 0 ADAERN CCC[C@H](C)NC(=O)C1=COCCC1 730738436 698082607 /nfs/dbraw/zinc/08/26/07/698082607.db2.gz UJNXLJJMPXLYLT-VIFPVBQESA-N 0 0 197.278 1.986 10 0 ADAERN CC[C@H](C)N(C)C(=O)C1=COCCC1 730745286 698082787 /nfs/dbraw/zinc/08/27/87/698082787.db2.gz IIWJTHJZOUWRFA-VIFPVBQESA-N 0 0 197.278 1.938 10 0 ADAERN C/C=C/C=C/C(=O)N(C)[C@H]1CCOC1 730242937 698082790 /nfs/dbraw/zinc/08/27/90/698082790.db2.gz DZXVTJVGRNZLQR-POOPIXKXSA-N 0 0 195.262 1.366 10 0 ADAERN C[C@@H](OC(=O)/C=C\C(C)(C)C)C(N)=O 732402840 698082862 /nfs/dbraw/zinc/08/28/62/698082862.db2.gz PFRXSYGFDQNXRT-KXTMECRCSA-N 0 0 199.250 1.006 10 0 ADAERN C[C@H](OC(=O)/C=C/C(C)(C)C)C(N)=O 732402843 698082873 /nfs/dbraw/zinc/08/28/73/698082873.db2.gz PFRXSYGFDQNXRT-XPPMVYLVSA-N 0 0 199.250 1.006 10 0 ADAERN CCN(C(=O)C1=COCCC1)C(C)C 730747058 698082771 /nfs/dbraw/zinc/08/27/71/698082771.db2.gz CBRPVECMYZKUCE-UHFFFAOYSA-N 0 0 197.278 1.938 10 0 ADAERN C[C@H](OC(=O)/C=C\C(C)(C)C)C(N)=O 732402841 698082895 /nfs/dbraw/zinc/08/28/95/698082895.db2.gz PFRXSYGFDQNXRT-RBSILHGTSA-N 0 0 199.250 1.006 10 0 ADAERN C[C@@H](OC(=O)/C=C/C(C)(C)C)C(N)=O 732402842 698082916 /nfs/dbraw/zinc/08/29/16/698082916.db2.gz PFRXSYGFDQNXRT-WEWAHIQMSA-N 0 0 199.250 1.006 10 0 ADAERN CC(C)CN(C)C(=O)c1nccn1C 741264199 698083512 /nfs/dbraw/zinc/08/35/12/698083512.db2.gz 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/nfs/dbraw/zinc/18/36/53/698183653.db2.gz VGZLGIGHXSEAGM-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN CCC(C)(C)N(C)C(=O)[C@@H]1C[C@H]1OC 933150769 698183715 /nfs/dbraw/zinc/18/37/15/698183715.db2.gz XLHRVAMUQMEYLH-RKDXNWHRSA-N 0 0 199.294 1.668 10 0 ADAERN C[C@H](O)CCNC(=O)[C@@]1(C)C=CCC1 933133779 698183722 /nfs/dbraw/zinc/18/37/22/698183722.db2.gz XTOVHMHKPDWMLQ-ONGXEEELSA-N 0 0 197.278 1.230 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N(C)C1CCC1 933613975 698184727 /nfs/dbraw/zinc/18/47/27/698184727.db2.gz IISAMBSENPTDSN-RKDXNWHRSA-N 0 0 183.251 1.032 10 0 ADAERN CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2OC)C1 934460901 698186843 /nfs/dbraw/zinc/18/68/43/698186843.db2.gz KWBQRIPPFQAXTQ-IVZWLZJFSA-N 0 0 197.278 1.280 10 0 ADAERN CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2OC)C1 934460903 698187120 /nfs/dbraw/zinc/18/71/20/698187120.db2.gz KWBQRIPPFQAXTQ-OPRDCNLKSA-N 0 0 197.278 1.280 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]2C[C@H]21 935924590 698189067 /nfs/dbraw/zinc/18/90/67/698189067.db2.gz URXNGTCFWHWEMN-SGIHWFKDSA-N 0 0 195.262 1.032 10 0 ADAERN O=C(C1CC1)[C@H](O)c1ccccc1F 144412494 325624165 /nfs/dbraw/zinc/62/41/65/325624165.db2.gz KMIRUKGYDUOZOF-LLVKDONJSA-N 0 0 194.205 1.838 10 0 ADAERN O=C(C1CC1)[C@@H](O)c1ccccc1F 144412694 325624176 /nfs/dbraw/zinc/62/41/76/325624176.db2.gz KMIRUKGYDUOZOF-NSHDSACASA-N 0 0 194.205 1.838 10 0 ADAERN O=C(NC1CCCC1)c1cccnn1 82300886 325607090 /nfs/dbraw/zinc/60/70/90/325607090.db2.gz UZTCYPWIGGDSNK-UHFFFAOYSA-N 0 0 191.234 1.149 10 0 ADAERN OC[C@@H]1CCC[C@@H]1F 108279975 325620429 /nfs/dbraw/zinc/62/04/29/325620429.db2.gz BXILJJQPTHFCDI-WDSKDSINSA-N 0 0 118.151 1.117 10 0 ADAERN CCOC(=O)c1cnsc1C 259816551 325638229 /nfs/dbraw/zinc/63/82/29/325638229.db2.gz MCSXBPAUQCWULX-UHFFFAOYSA-N 0 0 171.221 1.628 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)C1=CCOCC1 335738169 325642336 /nfs/dbraw/zinc/64/23/36/325642336.db2.gz GMLBIEIYRMKORX-VIFPVBQESA-N 0 0 195.262 1.248 10 0 ADAERN CONC(=O)[C@H]1CCCC12CC2 527532032 325646646 /nfs/dbraw/zinc/64/66/46/325646646.db2.gz GHRHOUWFFGHAGI-SSDOTTSWSA-N 0 0 169.224 1.244 10 0 ADAERN Cn1cc(-c2cnc(C3CC3)o2)cn1 527531687 325646647 /nfs/dbraw/zinc/64/66/47/325646647.db2.gz IYODGTCOICARJU-UHFFFAOYSA-N 0 0 189.218 1.953 10 0 ADAERN c1c[nH]c(-c2cnc(C3CC3)o2)n1 527532155 325646651 /nfs/dbraw/zinc/64/66/51/325646651.db2.gz JRCKJFWOHQWCKH-UHFFFAOYSA-N 0 0 175.191 1.942 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1cccnn1 527532420 325647124 /nfs/dbraw/zinc/64/71/24/325647124.db2.gz IKHJXCVQWTULNO-SFYZADRCSA-N 0 0 191.234 1.005 10 0 ADAERN NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 527534871 325647893 /nfs/dbraw/zinc/64/78/93/325647893.db2.gz WEMQOJSNOPEQLW-UWVGGRQHSA-N 0 0 193.221 1.805 10 0 ADAERN O=C(NC1CC1)[C@@H]1CCCC12CC2 527646397 325649126 /nfs/dbraw/zinc/64/91/26/325649126.db2.gz LRHJSGRAZAIJLE-VIFPVBQESA-N 0 0 179.263 1.845 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NCc1cocn1 527783494 325650248 /nfs/dbraw/zinc/65/02/48/325650248.db2.gz WXCDMALUIRFFCA-ZJUUUORDSA-N 0 0 196.250 1.332 10 0 ADAERN Cc1cncn1CC(=O)NC(C)(C)C 527801676 325650873 /nfs/dbraw/zinc/65/08/73/325650873.db2.gz SNJABQIFTJGBLY-UHFFFAOYSA-N 0 0 195.266 1.106 10 0 ADAERN CCCN(C)c1ncccc1OC 527861811 325652628 /nfs/dbraw/zinc/65/26/28/325652628.db2.gz DCOOKPZYZQUHBH-UHFFFAOYSA-N 0 0 180.251 1.936 10 0 ADAERN FC1(F)CCOCC1 166251917 325625762 /nfs/dbraw/zinc/62/57/62/325625762.db2.gz ZPYYEARLEQLCSU-UHFFFAOYSA-N 0 0 122.114 1.432 10 0 ADAERN CC(C)c1ncc(C=O)n1C 166306709 325625765 /nfs/dbraw/zinc/62/57/65/325625765.db2.gz KGGQRGNVKSCPCO-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN CCCN(C)C(=O)Cn1cncc1C 528302996 325656724 /nfs/dbraw/zinc/65/67/24/325656724.db2.gz GBGUACZCDWHDNG-UHFFFAOYSA-N 0 0 195.266 1.060 10 0 ADAERN CC(C)=CCNC(=O)c1cccnn1 529141157 325661051 /nfs/dbraw/zinc/66/10/51/325661051.db2.gz BIKUSIQQDXTFTM-UHFFFAOYSA-N 0 0 191.234 1.173 10 0 ADAERN C[C@@H](O)CNC(=O)[C@H]1CCCC12CC2 528941486 325661113 /nfs/dbraw/zinc/66/11/13/325661113.db2.gz CDDZUJSSZKVAOH-RKDXNWHRSA-N 0 0 197.278 1.064 10 0 ADAERN CCC(=O)Nc1cc(C)nn1CC 530124958 325664220 /nfs/dbraw/zinc/66/42/20/325664220.db2.gz FZLSOOMGTQGAGY-UHFFFAOYSA-N 0 0 181.239 1.560 10 0 ADAERN CCC[S@@](=N)(=O)CC 536957665 325672108 /nfs/dbraw/zinc/67/21/08/325672108.db2.gz JIOVDNOPFDGVAR-QMMMGPOBSA-N 0 0 135.232 1.463 10 0 ADAERN CC(=O)N1CCCc2c(N)cccc21 71476901 132176795 /nfs/dbraw/zinc/17/67/95/132176795.db2.gz SXBGECCLXBGZMD-UHFFFAOYSA-N 0 0 190.246 1.568 10 0 ADAERN CN1c2ccccc2N=C[C@H]1O 196528682 132176861 /nfs/dbraw/zinc/17/68/61/132176861.db2.gz LQSPZUYQQXJTJP-SECBINFHSA-N 0 0 162.192 1.157 10 0 ADAERN Cc1cnc(=O)[nH]c1N1CCCCC1 75581355 132176871 /nfs/dbraw/zinc/17/68/71/132176871.db2.gz QTDHCZIXFNJTDK-UHFFFAOYSA-N 0 0 193.250 1.069 10 0 ADAERN Cc1nccc2c1N(C)C(=O)OC2 196399790 132176875 /nfs/dbraw/zinc/17/68/75/132176875.db2.gz MLMHJBLVKGRTEK-UHFFFAOYSA-N 0 0 178.191 1.476 10 0 ADAERN FCCN1CCNc2ccccc21 76894574 132176951 /nfs/dbraw/zinc/17/69/51/132176951.db2.gz GRFFUNJKFLDOKV-UHFFFAOYSA-N 0 0 180.226 1.888 10 0 ADAERN CN1c2ccccc2N=C[C@@H]1O 196528672 132176981 /nfs/dbraw/zinc/17/69/81/132176981.db2.gz LQSPZUYQQXJTJP-VIFPVBQESA-N 0 0 162.192 1.157 10 0 ADAERN N=C1SCc2ccccc2N1O 256015479 132176984 /nfs/dbraw/zinc/17/69/84/132176984.db2.gz ZFXBDNSRBLWWML-UHFFFAOYSA-N 0 0 180.232 1.390 10 0 ADAERN C[C@@H]1Cc2ccccc2N(C)C1=O 71477010 132177018 /nfs/dbraw/zinc/17/70/18/132177018.db2.gz XBNSIEQBWGRVQK-MRVPVSSYSA-N 0 0 175.231 1.842 10 0 ADAERN C[C@@H]1COc2ccccc2N1C 84766827 132177349 /nfs/dbraw/zinc/17/73/49/132177349.db2.gz PCQOPJGFSWWANK-MRVPVSSYSA-N 0 0 163.220 1.904 10 0 ADAERN Cc1cccc(N2CCNC(=O)N2)c1 25268 132177454 /nfs/dbraw/zinc/17/74/54/132177454.db2.gz ARWMEQVLMJCDKV-UHFFFAOYSA-N 0 0 191.234 1.029 10 0 ADAERN Cc1nc(N2CCCCC2)ncc1O 82320730 132177462 /nfs/dbraw/zinc/17/74/62/132177462.db2.gz VZVUNRFCNRWCEO-UHFFFAOYSA-N 0 0 193.250 1.481 10 0 ADAERN O=C1CNc2ccccc2N1C1CC1 83254054 132177470 /nfs/dbraw/zinc/17/74/70/132177470.db2.gz ZJWVRQUMJGIKQN-UHFFFAOYSA-N 0 0 188.230 1.608 10 0 ADAERN CN1C[C@@H](O)Cc2ccccc21 116210105 132177489 /nfs/dbraw/zinc/17/74/89/132177489.db2.gz ZXFBXQKDQVHEHK-VIFPVBQESA-N 0 0 163.220 1.040 10 0 ADAERN C[C@@H]1CN(c2ccccc2)NC(=O)N1 4070 132177518 /nfs/dbraw/zinc/17/75/18/132177518.db2.gz JAUBABGVZIISMG-MRVPVSSYSA-N 0 0 191.234 1.109 10 0 ADAERN c1cncc(N2C[C@@H]3CC[C@H]2C[NH2+]3)c1 95922836 132177525 /nfs/dbraw/zinc/17/75/25/132177525.db2.gz IKJZJZXKGKENDY-ONGXEEELSA-N 0 0 189.262 1.022 10 0 ADAERN Cc1ccc(N2CCOCC2)cc1O 116636637 132177602 /nfs/dbraw/zinc/17/76/02/132177602.db2.gz INRHWWZVVFTCAY-UHFFFAOYSA-N 0 0 193.246 1.537 10 0 ADAERN c1ncc(N2CCCCC2)cn1 82712991 132177620 /nfs/dbraw/zinc/17/76/20/132177620.db2.gz OLASSUAKDLYHHS-UHFFFAOYSA-N 0 0 163.224 1.467 10 0 ADAERN Fc1ccc(N2CCOCC2)cc1F 82713053 132177660 /nfs/dbraw/zinc/17/76/60/132177660.db2.gz UWZJCOVFPQDIEY-UHFFFAOYSA-N 0 0 199.200 1.801 10 0 ADAERN Fc1ccc(N2CCOCC2)c(F)c1 82713054 132177678 /nfs/dbraw/zinc/17/76/78/132177678.db2.gz SOKYZYXOVKSCKP-UHFFFAOYSA-N 0 0 199.200 1.801 10 0 ADAERN Cc1ccc2c(c1)OCCN2C 34617240 132177685 /nfs/dbraw/zinc/17/76/85/132177685.db2.gz VCPZYLBOSFKSBF-UHFFFAOYSA-N 0 0 163.220 1.824 10 0 ADAERN CN1C[C@H](O)Cc2ccccc21 116210107 132177688 /nfs/dbraw/zinc/17/76/88/132177688.db2.gz ZXFBXQKDQVHEHK-SECBINFHSA-N 0 0 163.220 1.040 10 0 ADAERN CN1C(=O)CCc2c(O)cccc21 5996085 132177709 /nfs/dbraw/zinc/17/77/09/132177709.db2.gz PXWAZDGOXQPIGF-UHFFFAOYSA-N 0 0 177.203 1.301 10 0 ADAERN O=C1CCN(c2ccccc2O)CC1 90659417 132177725 /nfs/dbraw/zinc/17/77/25/132177725.db2.gz OVFXQSMYODXKDP-UHFFFAOYSA-N 0 0 191.230 1.562 10 0 ADAERN Nc1nc(F)cc(N2CCCCC2)n1 39900 132177728 /nfs/dbraw/zinc/17/77/28/132177728.db2.gz JHOMLXZSDLLBFN-UHFFFAOYSA-N 0 0 196.229 1.188 10 0 ADAERN CC1CCN(c2cc[n+]([O-])cc2)CC1 5307114 132177737 /nfs/dbraw/zinc/17/77/37/132177737.db2.gz IFXRECHYYZJJQI-UHFFFAOYSA-N 0 0 192.262 1.556 10 0 ADAERN Fc1cc(F)cc(N2CCOCC2)c1 82713052 132177739 /nfs/dbraw/zinc/17/77/39/132177739.db2.gz KVISFFRCMNRVHU-UHFFFAOYSA-N 0 0 199.200 1.801 10 0 ADAERN Fc1ccc(F)c(N2CCOCC2)c1 82713051 132177741 /nfs/dbraw/zinc/17/77/41/132177741.db2.gz JDVGRWASAQHWEC-UHFFFAOYSA-N 0 0 199.200 1.801 10 0 ADAERN COc1ccc2c(c1)N(C)CCC2=O 384034 132178086 /nfs/dbraw/zinc/17/80/86/132178086.db2.gz ZVCZDBSRHQTKIT-UHFFFAOYSA-N 0 0 191.230 1.718 10 0 ADAERN [O-][n+]1cccc(N2CCCCC2)c1 331284 132178112 /nfs/dbraw/zinc/17/81/12/132178112.db2.gz QIRMEJCSQASKNZ-UHFFFAOYSA-N 0 0 178.235 1.310 10 0 ADAERN CN1C(=O)CSc2cc(O)ccc21 336185 132178549 /nfs/dbraw/zinc/17/85/49/132178549.db2.gz KRPRGZHPHFFLFJ-UHFFFAOYSA-N 0 0 195.243 1.461 10 0 ADAERN C[C@H]1CN(c2ccccc2)NC(=O)N1 3787056 132180123 /nfs/dbraw/zinc/18/01/23/132180123.db2.gz JAUBABGVZIISMG-QMMMGPOBSA-N 0 0 191.234 1.109 10 0 ADAERN Cc1ccc2c(c1)CCCN2C=O 5022067 132180229 /nfs/dbraw/zinc/18/02/29/132180229.db2.gz XDAZQSPULDOYNS-UHFFFAOYSA-N 0 0 175.231 1.904 10 0 ADAERN C[C@@H]1CN(C)c2ccccc2C1=O 5141606 132180969 /nfs/dbraw/zinc/18/09/69/132180969.db2.gz IWTPNBHUUFMRKF-MRVPVSSYSA-N 0 0 175.231 1.955 10 0 ADAERN [O-][n+]1ccc(N2CCCCC2)cc1 5426183 132181043 /nfs/dbraw/zinc/18/10/43/132181043.db2.gz IEWMWCVXAPSYEX-UHFFFAOYSA-N 0 0 178.235 1.310 10 0 ADAERN C[C@H]1CN(C)c2ccccc2C1=O 5159293 132181434 /nfs/dbraw/zinc/18/14/34/132181434.db2.gz IWTPNBHUUFMRKF-QMMMGPOBSA-N 0 0 175.231 1.955 10 0 ADAERN Clc1ccc(N2CC=CCC2)nn1 5152277 132181668 /nfs/dbraw/zinc/18/16/68/132181668.db2.gz GENZDJCQESAEFU-UHFFFAOYSA-N 0 0 195.653 1.896 10 0 ADAERN CC(=O)N1CCCc2cccc(N)c21 11737042 132182202 /nfs/dbraw/zinc/18/22/02/132182202.db2.gz UVZAZFXVBPNACM-UHFFFAOYSA-N 0 0 190.246 1.568 10 0 ADAERN Cc1cccc2c1N(C=O)CCC2 9694716 132182439 /nfs/dbraw/zinc/18/24/39/132182439.db2.gz USXGOEQOYBPOPE-UHFFFAOYSA-N 0 0 175.231 1.904 10 0 ADAERN Cc1ccccc1N1CCNC(=O)N1 13759026 132182849 /nfs/dbraw/zinc/18/28/49/132182849.db2.gz RBVUNPAFNNWXDD-UHFFFAOYSA-N 0 0 191.234 1.029 10 0 ADAERN C[C@@H]1CCc2ccccc2N1C(N)=O 19279340 132183318 /nfs/dbraw/zinc/18/33/18/132183318.db2.gz FCWFIBYKZXMNDE-MRVPVSSYSA-N 0 0 190.246 1.906 10 0 ADAERN O=NN1CC(=O)Nc2ccccc21 16916069 132183738 /nfs/dbraw/zinc/18/37/38/132183738.db2.gz ODRZHTKRWUWXFX-UHFFFAOYSA-N 0 0 177.163 1.127 10 0 ADAERN C[C@H]1CCc2ccccc2N1C(N)=O 19279342 132183960 /nfs/dbraw/zinc/18/39/60/132183960.db2.gz FCWFIBYKZXMNDE-QMMMGPOBSA-N 0 0 190.246 1.906 10 0 ADAERN Cc1ccc2c(c1)CCCN2C(N)=O 19513895 132184079 /nfs/dbraw/zinc/18/40/79/132184079.db2.gz PFDDDMYAQASHHM-UHFFFAOYSA-N 0 0 190.246 1.826 10 0 ADAERN Cc1ccc(N2CCC(=O)CC2)nc1 19802694 132184316 /nfs/dbraw/zinc/18/43/16/132184316.db2.gz FNZYDTDGVBCMPF-UHFFFAOYSA-N 0 0 190.246 1.559 10 0 ADAERN Cc1cc(N2CCCCC2)nc(=O)[nH]1 20096049 132184406 /nfs/dbraw/zinc/18/44/06/132184406.db2.gz WOTZSVBZGDLOAE-UHFFFAOYSA-N 0 0 193.250 1.069 10 0 ADAERN C[C@H]1CN(C)c2ccc(N)cc2O1 19760202 132184480 /nfs/dbraw/zinc/18/44/80/132184480.db2.gz WOCMBYOKBRSXFP-ZETCQYMHSA-N 0 0 178.235 1.486 10 0 ADAERN CCN1CCOc2cc(N)ccc21 19760141 132184539 /nfs/dbraw/zinc/18/45/39/132184539.db2.gz KOAQOHIOBYPBAN-UHFFFAOYSA-N 0 0 178.235 1.488 10 0 ADAERN CN1CC(C)(C)Oc2cc(N)ccc21 19760197 132184546 /nfs/dbraw/zinc/18/45/46/132184546.db2.gz AHEGDRPEMSKRFA-UHFFFAOYSA-N 0 0 192.262 1.876 10 0 ADAERN CCN1C[C@@H](C)Oc2cc(N)ccc21 19760130 132184553 /nfs/dbraw/zinc/18/45/53/132184553.db2.gz ZOFCRIBSWJOJBU-MRVPVSSYSA-N 0 0 192.262 1.876 10 0 ADAERN Cc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 19926401 132184612 /nfs/dbraw/zinc/18/46/12/132184612.db2.gz CROJHJRPPUUCNL-MRVPVSSYSA-N 0 0 191.230 1.739 10 0 ADAERN CCN1C[C@@H](C)Oc2ccc(N)cc21 19760114 132184719 /nfs/dbraw/zinc/18/47/19/132184719.db2.gz NVGHMIRIZXPPOB-MRVPVSSYSA-N 0 0 192.262 1.876 10 0 ADAERN Nc1ccc2c(c1)CCCN2CCO 19966607 132184723 /nfs/dbraw/zinc/18/47/23/132184723.db2.gz ACCNAOZMFCMKTN-UHFFFAOYSA-N 0 0 192.262 1.014 10 0 ADAERN CC[C@@H]1CN(C)c2ccc(N)cc2O1 19760204 132184733 /nfs/dbraw/zinc/18/47/33/132184733.db2.gz DROICQSUFZLKPS-SECBINFHSA-N 0 0 192.262 1.876 10 0 ADAERN O=Cc1ccnc(N2CCCCC2)c1 20230883 132184760 /nfs/dbraw/zinc/18/47/60/132184760.db2.gz HLKPMTVMKNYPIR-UHFFFAOYSA-N 0 0 190.246 1.884 10 0 in-vitro ADAERN CCN1CCOc2ccc(N)cc21 19760112 132184844 /nfs/dbraw/zinc/18/48/44/132184844.db2.gz SJCNGMSKEWPQSB-UHFFFAOYSA-N 0 0 178.235 1.488 10 0 ADAERN CC(=O)c1ccc2c(c1)N(C)CCO2 19763214 132184849 /nfs/dbraw/zinc/18/48/49/132184849.db2.gz VACYJYZTWBMHOV-UHFFFAOYSA-N 0 0 191.230 1.718 10 0 ADAERN CC(C)N1CCOc2cc(N)ccc21 19760072 132184889 /nfs/dbraw/zinc/18/48/89/132184889.db2.gz MDEKJMLVEBDCGY-UHFFFAOYSA-N 0 0 192.262 1.876 10 0 ADAERN COCN1CCOc2ccc(N)cc21 19760414 132184895 /nfs/dbraw/zinc/18/48/95/132184895.db2.gz SKAXAYGGCFCSBL-UHFFFAOYSA-N 0 0 194.234 1.072 10 0 ADAERN C[C@H]1CCCN(c2ccc(N)nc2)C1 19868117 132184906 /nfs/dbraw/zinc/18/49/06/132184906.db2.gz HMGOXKBIYGIEJN-VIFPVBQESA-N 0 0 191.278 1.900 10 0 ADAERN NOCCN1CCCc2ccccc21 19785844 132184918 /nfs/dbraw/zinc/18/49/18/132184918.db2.gz ROUWMPHRDDNHCN-UHFFFAOYSA-N 0 0 192.262 1.330 10 0 ADAERN NC(=O)N1CCCc2cc(N)ccc21 19874858 132184921 /nfs/dbraw/zinc/18/49/21/132184921.db2.gz NSKYZXUIAIIBCB-UHFFFAOYSA-N 0 0 191.234 1.100 10 0 ADAERN COCN1CCOc2cc(N)ccc21 19760437 132184925 /nfs/dbraw/zinc/18/49/25/132184925.db2.gz JEEUFCWOKVTQMZ-UHFFFAOYSA-N 0 0 194.234 1.072 10 0 ADAERN C[C@@H]1CN(C)c2ccc(N)cc2O1 19760200 132184932 /nfs/dbraw/zinc/18/49/32/132184932.db2.gz WOCMBYOKBRSXFP-SSDOTTSWSA-N 0 0 178.235 1.486 10 0 ADAERN C[C@@H]1CN(C)c2cc(N)ccc2O1 19760186 132184935 /nfs/dbraw/zinc/18/49/35/132184935.db2.gz YUKUDIWVXGWVHZ-SSDOTTSWSA-N 0 0 178.235 1.486 10 0 ADAERN CCCN1CCOc2cc(N)ccc21 19759762 132184937 /nfs/dbraw/zinc/18/49/37/132184937.db2.gz HXFIHLJCANJOGS-UHFFFAOYSA-N 0 0 192.262 1.878 10 0 ADAERN CC[C@H]1CN(C)c2ccc(N)cc2O1 19760207 132184940 /nfs/dbraw/zinc/18/49/40/132184940.db2.gz DROICQSUFZLKPS-VIFPVBQESA-N 0 0 192.262 1.876 10 0 ADAERN CCCN1CCOc2ccc(N)cc21 19759735 132184947 /nfs/dbraw/zinc/18/49/47/132184947.db2.gz JRKVEUPMSMECPN-UHFFFAOYSA-N 0 0 192.262 1.878 10 0 ADAERN Nc1ccccc1N1CCSCC1 20256817 132184957 /nfs/dbraw/zinc/18/49/57/132184957.db2.gz VBEXUEUPXWSVIC-UHFFFAOYSA-N 0 0 194.303 1.822 10 0 ADAERN CN1CC(C)(C)Oc2ccc(N)cc21 19760194 132184964 /nfs/dbraw/zinc/18/49/64/132184964.db2.gz HDRJDRZBUQNNPW-UHFFFAOYSA-N 0 0 192.262 1.876 10 0 ADAERN Cc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 19926399 132184989 /nfs/dbraw/zinc/18/49/89/132184989.db2.gz CROJHJRPPUUCNL-QMMMGPOBSA-N 0 0 191.230 1.739 10 0 ADAERN Nc1ccc(N2CCSCC2)cn1 20256769 132184993 /nfs/dbraw/zinc/18/49/93/132184993.db2.gz INASTCGMVRITIL-UHFFFAOYSA-N 0 0 195.291 1.217 10 0 ADAERN C[C@@H]1CCCN(c2ccc(N)nc2)C1 19868114 132185020 /nfs/dbraw/zinc/18/50/20/132185020.db2.gz HMGOXKBIYGIEJN-SECBINFHSA-N 0 0 191.278 1.900 10 0 ADAERN C[C@H]1CN(c2ccccc2N)CCO1 21963934 132185690 /nfs/dbraw/zinc/18/56/90/132185690.db2.gz TZNOPRCAUVVEKC-VIFPVBQESA-N 0 0 192.262 1.494 10 0 ADAERN C[C@@H]1CN(c2ccccc2N)CCO1 21963930 132185715 /nfs/dbraw/zinc/18/57/15/132185715.db2.gz TZNOPRCAUVVEKC-SECBINFHSA-N 0 0 192.262 1.494 10 0 ADAERN Cc1ccc2c(c1)CCCN2N 38665489 132186485 /nfs/dbraw/zinc/18/64/85/132186485.db2.gz FSTBMVYMVIWCKK-UHFFFAOYSA-N 0 0 162.236 1.621 10 0 ADAERN O=C1CCCN(c2ccc(O)cc2)N1 28767838 132186531 /nfs/dbraw/zinc/18/65/31/132186531.db2.gz UADGTDAPJRHDFS-UHFFFAOYSA-N 0 0 192.218 1.024 10 0 ADAERN CN1CCN(c2ccccc2)NC1=O 27308582 132186543 /nfs/dbraw/zinc/18/65/43/132186543.db2.gz MSCIKZUIZBLUCK-UHFFFAOYSA-N 0 0 191.234 1.063 10 0 ADAERN Cc1ccc(N2CCCNC2=O)cc1 32143495 132186607 /nfs/dbraw/zinc/18/66/07/132186607.db2.gz SOWIRFQIOKZPMQ-UHFFFAOYSA-N 0 0 190.246 1.915 10 0 ADAERN CN1C(=O)CCc2ccc(N)cc21 26442145 132186972 /nfs/dbraw/zinc/18/69/72/132186972.db2.gz SOKTXJGBXRRDGK-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN Cc1ccc(N2CCNC(=O)N2)cc1 27315328 132187107 /nfs/dbraw/zinc/18/71/07/132187107.db2.gz DYXNQOSQFSMYNI-UHFFFAOYSA-N 0 0 191.234 1.029 10 0 ADAERN C[C@@H]1CN(c2cccc(N)c2)CCO1 34959029 132187605 /nfs/dbraw/zinc/18/76/05/132187605.db2.gz JPNMHWRXMBSIOS-SECBINFHSA-N 0 0 192.262 1.494 10 0 in-vitro ADAERN Cc1cc(O)cc(N2CCOCC2)c1 34085641 132187708 /nfs/dbraw/zinc/18/77/08/132187708.db2.gz OUGOBFAXBAGTEU-UHFFFAOYSA-N 0 0 193.246 1.537 10 0 ADAERN CCN1C(=O)[C@H](F)Oc2cccnc21 34583363 132187722 /nfs/dbraw/zinc/18/77/22/132187722.db2.gz GGEKDIGRYMXUMS-SSDOTTSWSA-N 0 0 196.181 1.123 10 0 ADAERN Cc1ccc(N2CCC(O)CC2)cc1 34250165 132187751 /nfs/dbraw/zinc/18/77/51/132187751.db2.gz PPQIXIPJWPTBBW-UHFFFAOYSA-N 0 0 191.274 1.956 10 0 ADAERN C[C@H]1COCCN1c1cccc(N)c1 35774365 132187836 /nfs/dbraw/zinc/18/78/36/132187836.db2.gz UNKQKVCRLDYAIT-VIFPVBQESA-N 0 0 192.262 1.494 10 0 ADAERN CN1C(=O)CCc2cccc(N)c21 34332160 132187868 /nfs/dbraw/zinc/18/78/68/132187868.db2.gz GOZQPOOVTNSOIZ-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN C[C@H]1CN(c2cccc(N)c2)CCO1 34959030 132187875 /nfs/dbraw/zinc/18/78/75/132187875.db2.gz JPNMHWRXMBSIOS-VIFPVBQESA-N 0 0 192.262 1.494 10 0 in-vitro ADAERN Cc1cccc2c1OCCN2C 35030743 132187887 /nfs/dbraw/zinc/18/78/87/132187887.db2.gz XPPYWEDJOBPSKO-UHFFFAOYSA-N 0 0 163.220 1.824 10 0 ADAERN C[C@@H]1COCCN1c1cccc(N)c1 35774362 132188149 /nfs/dbraw/zinc/18/81/49/132188149.db2.gz UNKQKVCRLDYAIT-SECBINFHSA-N 0 0 192.262 1.494 10 0 ADAERN CCN1CCOc2cc(CO)ccc21 36238933 132188419 /nfs/dbraw/zinc/18/84/19/132188419.db2.gz OCTUFBKYNWQPPT-UHFFFAOYSA-N 0 0 193.246 1.398 10 0 ADAERN Nc1cccc(N2CCSCC2)c1 36720293 132188471 /nfs/dbraw/zinc/18/84/71/132188471.db2.gz GEYPIBDMVCRJQJ-UHFFFAOYSA-N 0 0 194.303 1.822 10 0 ADAERN C[C@@H]1Oc2ccc(O)cc2N(C)C1=O 36260220 132188532 /nfs/dbraw/zinc/18/85/32/132188532.db2.gz IHRFWESVSMIRCY-LURJTMIESA-N 0 0 193.202 1.136 10 0 ADAERN C[C@H]1Oc2cc(O)ccc2N(C)C1=O 36260958 132188534 /nfs/dbraw/zinc/18/85/34/132188534.db2.gz OJTPSJCEKYZRFM-ZCFIWIBFSA-N 0 0 193.202 1.136 10 0 ADAERN Cc1cccc(N2CCC(=O)CC2)n1 37670420 132188539 /nfs/dbraw/zinc/18/85/39/132188539.db2.gz FWDMBAOQIUBZOE-UHFFFAOYSA-N 0 0 190.246 1.559 10 0 ADAERN C[C@H]1Oc2ccc(O)cc2N(C)C1=O 36260218 132188544 /nfs/dbraw/zinc/18/85/44/132188544.db2.gz IHRFWESVSMIRCY-ZCFIWIBFSA-N 0 0 193.202 1.136 10 0 ADAERN NNc1ccc(N2CCCCC2)nc1 36221575 132188558 /nfs/dbraw/zinc/18/85/58/132188558.db2.gz CHMRBPJZXNDRJP-UHFFFAOYSA-N 0 0 192.266 1.358 10 0 ADAERN C[C@H]1COCCN1c1ccccc1N 35774441 132188585 /nfs/dbraw/zinc/18/85/85/132188585.db2.gz OQDUXIDFWVYPQI-VIFPVBQESA-N 0 0 192.262 1.494 10 0 ADAERN C[C@@H]1COCCN1c1ccccc1N 35774438 132188644 /nfs/dbraw/zinc/18/86/44/132188644.db2.gz OQDUXIDFWVYPQI-SECBINFHSA-N 0 0 192.262 1.494 10 0 ADAERN C[C@@H]1Oc2cc(O)ccc2N(C)C1=O 36260960 132188704 /nfs/dbraw/zinc/18/87/04/132188704.db2.gz OJTPSJCEKYZRFM-LURJTMIESA-N 0 0 193.202 1.136 10 0 ADAERN CN1C(=O)C[C@H](O)c2ccccc21 37180263 132188751 /nfs/dbraw/zinc/18/87/51/132188751.db2.gz WFCJIKXLGOAAOH-VIFPVBQESA-N 0 0 177.203 1.087 10 0 ADAERN CCN1CCOc2ccc(CO)cc21 36238866 132188888 /nfs/dbraw/zinc/18/88/88/132188888.db2.gz FRZYBOMRHOHPJH-UHFFFAOYSA-N 0 0 193.246 1.398 10 0 ADAERN CN1C(=O)C[C@@H](O)c2ccccc21 37180261 132188919 /nfs/dbraw/zinc/18/89/19/132188919.db2.gz WFCJIKXLGOAAOH-SECBINFHSA-N 0 0 177.203 1.087 10 0 ADAERN Nc1cccc2c1CCCN2CCO 37905999 132188970 /nfs/dbraw/zinc/18/89/70/132188970.db2.gz PDMMGHBBPZBIHM-UHFFFAOYSA-N 0 0 192.262 1.014 10 0 ADAERN c1ccc2c(c1)NC[C@@H]1COCCN21 38973822 132189225 /nfs/dbraw/zinc/18/92/25/132189225.db2.gz QAJYBQDPXJVWIK-SECBINFHSA-N 0 0 190.246 1.317 10 0 ADAERN CC(=O)N1C(=O)CCc2ccccc21 39126342 132189238 /nfs/dbraw/zinc/18/92/38/132189238.db2.gz BPTHNRODUPKLAB-UHFFFAOYSA-N 0 0 189.214 1.512 10 0 ADAERN Cc1cccc2c1N(N)CCC2 39222528 132189249 /nfs/dbraw/zinc/18/92/49/132189249.db2.gz ZVEZSDGRVWDDAV-UHFFFAOYSA-N 0 0 162.236 1.621 10 0 ADAERN O=C1CN(C2CC2)c2ccccc2N1 39115324 132189311 /nfs/dbraw/zinc/18/93/11/132189311.db2.gz JBTXAJAEEUNYJN-UHFFFAOYSA-N 0 0 188.230 1.608 10 0 ADAERN CCN1c2ccccc2NC(=O)[C@H]1C 39115424 132189351 /nfs/dbraw/zinc/18/93/51/132189351.db2.gz XHLMIHCVYBVFRN-MRVPVSSYSA-N 0 0 190.246 1.854 10 0 ADAERN C[C@H]1CNc2ccccc2N1N=O 39114051 132189377 /nfs/dbraw/zinc/18/93/77/132189377.db2.gz IPOJTNNASQHAIL-ZETCQYMHSA-N 0 0 177.207 1.988 10 0 ADAERN CCN1c2ccccc2NC(=O)[C@@H]1C 39115423 132189410 /nfs/dbraw/zinc/18/94/10/132189410.db2.gz XHLMIHCVYBVFRN-QMMMGPOBSA-N 0 0 190.246 1.854 10 0 ADAERN C[C@H]1Cn2ccc3ncnc(c32)N1C 39115309 132189513 /nfs/dbraw/zinc/18/95/13/132189513.db2.gz WHOOZTNVZDKEDU-ZETCQYMHSA-N 0 0 188.234 1.270 10 0 ADAERN C[C@@H]1CNc2ccccc2N1N=O 39114050 132189517 /nfs/dbraw/zinc/18/95/17/132189517.db2.gz IPOJTNNASQHAIL-SSDOTTSWSA-N 0 0 177.207 1.988 10 0 ADAERN COCN1C(=O)CCc2ccccc21 38950589 132189524 /nfs/dbraw/zinc/18/95/24/132189524.db2.gz AXOCTABOTZZPFP-UHFFFAOYSA-N 0 0 191.230 1.570 10 0 ADAERN ON1CC=Cc2ccccc21 39059027 132189544 /nfs/dbraw/zinc/18/95/44/132189544.db2.gz QTODCAWXQQKXRL-UHFFFAOYSA-N 0 0 147.177 1.909 10 0 ADAERN c1cc(N2CCCCC2)cnn1 39081802 132189574 /nfs/dbraw/zinc/18/95/74/132189574.db2.gz DGMOHLFLOOISRN-UHFFFAOYSA-N 0 0 163.224 1.467 10 0 ADAERN CN1c2ccccc2NC(=O)C1(C)C 39115400 132189590 /nfs/dbraw/zinc/18/95/90/132189590.db2.gz CZCMZTBEMSTDRA-UHFFFAOYSA-N 0 0 190.246 1.854 10 0 ADAERN CN1c2ccccc2N=C2C=NN[C@@H]21 39115157 132189596 /nfs/dbraw/zinc/18/95/96/132189596.db2.gz JUCNZYSJEBTJNW-SNVBAGLBSA-N 0 0 186.218 1.124 10 0 ADAERN O=CN1CC=Cc2ccccc21 39063423 132189600 /nfs/dbraw/zinc/18/96/00/132189600.db2.gz BBRVEUKQSXUATK-UHFFFAOYSA-N 0 0 159.188 1.676 10 0 ADAERN c1ccc2c(c1)NC[C@H]1COCCN21 38973821 132189605 /nfs/dbraw/zinc/18/96/05/132189605.db2.gz QAJYBQDPXJVWIK-VIFPVBQESA-N 0 0 190.246 1.317 10 0 ADAERN ON1CCCc2ccccc21 39059126 132189607 /nfs/dbraw/zinc/18/96/07/132189607.db2.gz MJFWGNPJOYNRGB-UHFFFAOYSA-N 0 0 149.193 1.828 10 0 ADAERN CC(=O)N1N=CNc2ccc(C)cc21 39126122 132189608 /nfs/dbraw/zinc/18/96/08/132189608.db2.gz MVRIFDJBWNCNTG-UHFFFAOYSA-N 0 0 189.218 1.717 10 0 ADAERN CC(=O)N1CC(=N)Nc2ccccc21 39126078 132189614 /nfs/dbraw/zinc/18/96/14/132189614.db2.gz SDCHDAAFIWBNDC-UHFFFAOYSA-N 0 0 189.218 1.442 10 0 ADAERN C[C@@H]1Cn2ccc3ncnc(c32)N1C 39115308 132189621 /nfs/dbraw/zinc/18/96/21/132189621.db2.gz WHOOZTNVZDKEDU-SSDOTTSWSA-N 0 0 188.234 1.270 10 0 ADAERN CC(=O)N1C[C@H](C)Nc2ccccc21 39640911 132189943 /nfs/dbraw/zinc/18/99/43/132189943.db2.gz GVYRMYMXBWDNAK-QMMMGPOBSA-N 0 0 190.246 1.854 10 0 ADAERN O=CN1CCOc2ccccc21 39988982 132190011 /nfs/dbraw/zinc/19/00/11/132190011.db2.gz ADMYCZRZDFGOSJ-UHFFFAOYSA-N 0 0 163.176 1.042 10 0 ADAERN Cc1cccc2c1N(C)C(=O)CC2 39291446 132190046 /nfs/dbraw/zinc/19/00/46/132190046.db2.gz KQFGCFSDIVKVGI-UHFFFAOYSA-N 0 0 175.231 1.904 10 0 ADAERN CCN1CCCc2ncccc21 39081684 132190144 /nfs/dbraw/zinc/19/01/44/132190144.db2.gz XEINHKLQPNDABT-UHFFFAOYSA-N 0 0 162.236 1.854 10 0 ADAERN C[C@H]1COCCN1c1cccc(F)n1 40712128 132190564 /nfs/dbraw/zinc/19/05/64/132190564.db2.gz IFMYBXNCCFEJMA-QMMMGPOBSA-N 0 0 196.225 1.446 10 0 ADAERN Nc1cccc(N2CCCOC2=O)c1 41054530 132190586 /nfs/dbraw/zinc/19/05/86/132190586.db2.gz PFMQQSLOEMYJGN-UHFFFAOYSA-N 0 0 192.218 1.616 10 0 ADAERN Fc1cccc(N2CCSCC2)n1 40711838 132190611 /nfs/dbraw/zinc/19/06/11/132190611.db2.gz HYZFGXVPLQZGOX-UHFFFAOYSA-N 0 0 198.266 1.774 10 0 ADAERN Cc1cccc(N2CCC(O)CC2)c1 41205428 132190700 /nfs/dbraw/zinc/19/07/00/132190700.db2.gz DIWADYROGRQDDC-UHFFFAOYSA-N 0 0 191.274 1.956 10 0 ADAERN OC1CCN(c2cccc(F)c2)CC1 41206985 132190709 /nfs/dbraw/zinc/19/07/09/132190709.db2.gz VUIPKTBGYGAOSG-UHFFFAOYSA-N 0 0 195.237 1.787 10 0 ADAERN C[C@@H]1COCCN1c1cccc(F)n1 40712126 132190735 /nfs/dbraw/zinc/19/07/35/132190735.db2.gz IFMYBXNCCFEJMA-MRVPVSSYSA-N 0 0 196.225 1.446 10 0 ADAERN Cc1ccccc1N1CCC(O)CC1 41205426 132190744 /nfs/dbraw/zinc/19/07/44/132190744.db2.gz QHPIVNMZWWJPGE-UHFFFAOYSA-N 0 0 191.274 1.956 10 0 ADAERN C[C@@H]1CCCN(c2ncc(N)cn2)C1 40455067 132190748 /nfs/dbraw/zinc/19/07/48/132190748.db2.gz NJLTWKANPFOFOR-MRVPVSSYSA-N 0 0 192.266 1.295 10 0 ADAERN OC1CCN(c2ccc(F)cc2)CC1 41206984 132190803 /nfs/dbraw/zinc/19/08/03/132190803.db2.gz ROULXCNJEQELQP-UHFFFAOYSA-N 0 0 195.237 1.787 10 0 ADAERN N#CN1CCN(c2ccccc2)CC1 39115257 132190831 /nfs/dbraw/zinc/19/08/31/132190831.db2.gz KTHZVACONSAOPK-UHFFFAOYSA-N 0 0 187.246 1.290 10 0 ADAERN C[C@H]1CCCN(c2ncc(N)cn2)C1 40455069 132190868 /nfs/dbraw/zinc/19/08/68/132190868.db2.gz NJLTWKANPFOFOR-QMMMGPOBSA-N 0 0 192.266 1.295 10 0 ADAERN Nc1ccccc1N1CCCOC1=O 41054531 132190885 /nfs/dbraw/zinc/19/08/85/132190885.db2.gz QNDLGUUJWHESRR-UHFFFAOYSA-N 0 0 192.218 1.616 10 0 ADAERN C[C@@H]1Nc2ccccc2N(C)C1=O 39114021 132191227 /nfs/dbraw/zinc/19/12/27/132191227.db2.gz GOCGHNZUYWQCRC-ZETCQYMHSA-N 0 0 176.219 1.463 10 0 ADAERN OC[C@H]1CCCCN1c1ccccn1 44287184 132191286 /nfs/dbraw/zinc/19/12/86/132191286.db2.gz HLEADFIYNDBMDD-SNVBAGLBSA-N 0 0 192.262 1.433 10 0 ADAERN Nc1ccccc1N1CCCNC1=O 43323177 132191313 /nfs/dbraw/zinc/19/13/13/132191313.db2.gz PWPOXIPBPKMOSH-UHFFFAOYSA-N 0 0 191.234 1.189 10 0 ADAERN OC[C@@H]1CCCCN1c1ccccn1 44287188 132191495 /nfs/dbraw/zinc/19/14/95/132191495.db2.gz HLEADFIYNDBMDD-JTQLQIEISA-N 0 0 192.262 1.433 10 0 ADAERN Cc1cc(=O)c2c([nH]1)N(C)CCC2 39201545 132191559 /nfs/dbraw/zinc/19/15/59/132191559.db2.gz IPVSUSPLIHILIF-UHFFFAOYSA-N 0 0 178.235 1.066 10 0 ADAERN C[C@H]1Nc2ccccc2N(C)C1=O 39114020 132191617 /nfs/dbraw/zinc/19/16/17/132191617.db2.gz GOCGHNZUYWQCRC-SSDOTTSWSA-N 0 0 176.219 1.463 10 0 ADAERN CN1CCN(C)c2cc(C=O)ccc21 39115431 132191623 /nfs/dbraw/zinc/19/16/23/132191623.db2.gz RNUFOXBYMYKBBV-UHFFFAOYSA-N 0 0 190.246 1.385 10 0 ADAERN Cc1cccnc1N1CCC(O)CC1 51041356 132191902 /nfs/dbraw/zinc/19/19/02/132191902.db2.gz INGYEPPNPIPOHH-UHFFFAOYSA-N 0 0 192.262 1.351 10 0 ADAERN O=C1CNc2cccc3c2N1CCC3 49806278 132191921 /nfs/dbraw/zinc/19/19/21/132191921.db2.gz DUUAEUDNVQTGSR-UHFFFAOYSA-N 0 0 188.230 1.391 10 0 ADAERN Nc1ccc2c(c1)N(CCO)CCC2 51296730 132191947 /nfs/dbraw/zinc/19/19/47/132191947.db2.gz BGMHPQYMGLHIKA-UHFFFAOYSA-N 0 0 192.262 1.014 10 0 ADAERN Cc1cccnc1N1CCC[C@@H](O)C1 51041355 132192054 /nfs/dbraw/zinc/19/20/54/132192054.db2.gz ZIEAOJQLFNYDFB-SNVBAGLBSA-N 0 0 192.262 1.351 10 0 ADAERN c1cc2c3c(c1)OCCN3CCC2 49805235 132192107 /nfs/dbraw/zinc/19/21/07/132192107.db2.gz IDGAUDWLXMYTPF-UHFFFAOYSA-N 0 0 175.231 1.832 10 0 ADAERN Cc1cccnc1N1CCC[C@H](O)C1 51041354 132192139 /nfs/dbraw/zinc/19/21/39/132192139.db2.gz ZIEAOJQLFNYDFB-JTQLQIEISA-N 0 0 192.262 1.351 10 0 ADAERN C[C@@H]1CC(=O)CCN1c1cccnc1 49694150 132192215 /nfs/dbraw/zinc/19/22/15/132192215.db2.gz JPMZXAREYNPNIC-SECBINFHSA-N 0 0 190.246 1.639 10 0 ADAERN C[C@H]1CC(=O)CCN1c1cccnc1 49694151 132192295 /nfs/dbraw/zinc/19/22/95/132192295.db2.gz JPMZXAREYNPNIC-VIFPVBQESA-N 0 0 190.246 1.639 10 0 ADAERN CNc1ccnc(N2CCCCC2)n1 50852738 132192298 /nfs/dbraw/zinc/19/22/98/132192298.db2.gz SMNWQVHURFGDHD-UHFFFAOYSA-N 0 0 192.266 1.509 10 0 ADAERN C[C@@H]1CN(c2cccnc2)CCC1=O 49693400 132192309 /nfs/dbraw/zinc/19/23/09/132192309.db2.gz DJDXQIMBIRGDPH-SECBINFHSA-N 0 0 190.246 1.497 10 0 ADAERN C[C@H]1CN(c2cccnc2)CCC1=O 49693401 132192320 /nfs/dbraw/zinc/19/23/20/132192320.db2.gz DJDXQIMBIRGDPH-VIFPVBQESA-N 0 0 190.246 1.497 10 0 ADAERN O=C1CCc2cccc3c2N1CCO3 49806378 132192337 /nfs/dbraw/zinc/19/23/37/132192337.db2.gz ZBNBVSJVNVGBLI-UHFFFAOYSA-N 0 0 189.214 1.358 10 0 ADAERN Cc1cccnc1N1CCC(=O)CC1 51040784 132192351 /nfs/dbraw/zinc/19/23/51/132192351.db2.gz SXDCLJYHEZVTPI-UHFFFAOYSA-N 0 0 190.246 1.559 10 0 ADAERN O=Cc1ccnc(N2CCCCC2)n1 54791033 132192865 /nfs/dbraw/zinc/19/28/65/132192865.db2.gz CVWSXJLCNRLRRM-UHFFFAOYSA-N 0 0 191.234 1.279 10 0 ADAERN CC[C@H]1Nc2ccccc2N(C)C1=O 57928909 132193300 /nfs/dbraw/zinc/19/33/00/132193300.db2.gz QFBAXBQIOSMHSV-MRVPVSSYSA-N 0 0 190.246 1.854 10 0 ADAERN Cc1ccc2c(c1)N(C)C(=O)CO2 5747475 132193307 /nfs/dbraw/zinc/19/33/07/132193307.db2.gz DIGPPPDFNJERKC-UHFFFAOYSA-N 0 0 177.203 1.350 10 0 ADAERN CCN1C(=O)[C@@H](C)Nc2ccccc21 57928141 132193416 /nfs/dbraw/zinc/19/34/16/132193416.db2.gz WJAZEGVOJFNKCB-MRVPVSSYSA-N 0 0 190.246 1.854 10 0 ADAERN C[C@H]1CNc2ccccc2N1C 58235378 132193511 /nfs/dbraw/zinc/19/35/11/132193511.db2.gz WFSZIRSQYJEBCA-QMMMGPOBSA-N 0 0 162.236 1.937 10 0 ADAERN C[C@@H]1CNc2ccccc2N1C 58235376 132193569 /nfs/dbraw/zinc/19/35/69/132193569.db2.gz WFSZIRSQYJEBCA-MRVPVSSYSA-N 0 0 162.236 1.937 10 0 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DPTIHOPTDCEQSW-VIFPVBQESA-N 0 0 197.278 1.977 10 0 ADAERN CC[C@@H](C)C(=O)N1CCC(=O)[C@@H](C)C1 229498932 133423591 /nfs/dbraw/zinc/42/35/91/133423591.db2.gz JLOVIKRZJJMGTC-BDAKNGLRSA-N 0 0 197.278 1.470 10 0 ADAERN NC(=O)NCCC1=CCCC1 229061463 133423599 /nfs/dbraw/zinc/42/35/99/133423599.db2.gz JTBNGBVAIZHRJI-UHFFFAOYSA-N 0 0 154.213 1.155 10 0 ADAERN CC(C)=CCNc1nncs1 229222971 133423617 /nfs/dbraw/zinc/42/36/17/133423617.db2.gz YRMZJOZYCMWKLZ-UHFFFAOYSA-N 0 0 169.253 1.916 10 0 ADAERN CC(C)NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252631135 133424450 /nfs/dbraw/zinc/42/44/50/133424450.db2.gz ATFWGFVIOPDLOA-MYJAWHEDSA-N 0 0 181.279 1.947 10 0 ADAERN CN(C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 252645181 133424743 /nfs/dbraw/zinc/42/47/43/133424743.db2.gz PZZRFBUDRUWUPV-BRPSZJMVSA-N 0 0 167.252 1.511 10 0 ADAERN O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCO1 252759506 133424850 /nfs/dbraw/zinc/42/48/50/133424850.db2.gz LKMAHQPJFUAXTB-MYJAWHEDSA-N 0 0 195.262 1.587 10 0 ADAERN O=C(NC1CC1)[C@@H]1[C@H]2CCCC[C@H]21 252650866 133424855 /nfs/dbraw/zinc/42/48/55/133424855.db2.gz ZMPNJQRUMFGSBL-MYJAWHEDSA-N 0 0 179.263 1.701 10 0 ADAERN O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCCO1 252778064 133425035 /nfs/dbraw/zinc/42/50/35/133425035.db2.gz ZCAWVTXYFTVNRQ-BRPSZJMVSA-N 0 0 181.235 1.196 10 0 ADAERN O=C(CO)Nc1ccc2cc[nH]c2c1 258000839 133425060 /nfs/dbraw/zinc/42/50/60/133425060.db2.gz LUJFVYGGLTVWGU-UHFFFAOYSA-N 0 0 190.202 1.099 10 0 ADAERN C=Cn1cccc1 33835536 136407944 /nfs/dbraw/zinc/40/79/44/136407944.db2.gz CTXUTPWZJZHRJC-UHFFFAOYSA-N 0 0 93.129 1.589 10 0 ADAERN CC(C)C(=O)N[C@H]1CC=CCC1 80110350 136409710 /nfs/dbraw/zinc/40/97/10/136409710.db2.gz GNYURLBYLKBCBN-VIFPVBQESA-N 0 0 167.252 1.867 10 0 ADAERN CCOC(=O)[C@H]1CCC[C@H]1C 143697892 136414520 /nfs/dbraw/zinc/41/45/20/136414520.db2.gz SSASOZYMYBGYJN-SFYZADRCSA-N 0 0 156.225 1.986 10 0 ADAERN Cc1ccc(C[C@H](C)C(N)=O)cc1 143089355 136414605 /nfs/dbraw/zinc/41/46/05/136414605.db2.gz DGBIPKBVGLUXJP-VIFPVBQESA-N 0 0 177.247 1.659 10 0 ADAERN Cc1ccc([C@@H]2C[C@H]2C(N)=O)cc1 215258707 136416504 /nfs/dbraw/zinc/41/65/04/136416504.db2.gz LELRKEAUUNJRKH-VHSXEESVSA-N 0 0 175.231 1.584 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H]2C(N)=O)cc1 215258608 136416533 /nfs/dbraw/zinc/41/65/33/136416533.db2.gz LELRKEAUUNJRKH-UWVGGRQHSA-N 0 0 175.231 1.584 10 0 ADAERN CC(=O)NC[C@](C)(O)C1CCCCC1 214962385 136416535 /nfs/dbraw/zinc/41/65/35/136416535.db2.gz AHZFCLISQDUABV-NSHDSACASA-N 0 0 199.294 1.454 10 0 ADAERN COC(C)(C)C(=O)N1CCCCC1 224030029 136417027 /nfs/dbraw/zinc/41/70/27/136417027.db2.gz JJPXVBXOFHRATR-UHFFFAOYSA-N 0 0 185.267 1.424 10 0 ADAERN COC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C 224028942 136417045 /nfs/dbraw/zinc/41/70/45/136417045.db2.gz ZMVWECAEAGUWOM-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN COC(C)(C)C(=O)Nc1cccnc1 224006251 136417053 /nfs/dbraw/zinc/41/70/53/136417053.db2.gz STJJOMORCJJFQT-UHFFFAOYSA-N 0 0 194.234 1.445 10 0 ADAERN COC(C)(C)C(=O)N1CCCC[C@H]1C 223994045 136417059 /nfs/dbraw/zinc/41/70/59/136417059.db2.gz QKJAGBSGEJTZEL-SECBINFHSA-N 0 0 199.294 1.812 10 0 ADAERN COC(C)(C)C(=O)N1CCCC[C@@H]1C 223993990 136417082 /nfs/dbraw/zinc/41/70/82/136417082.db2.gz QKJAGBSGEJTZEL-VIFPVBQESA-N 0 0 199.294 1.812 10 0 ADAERN COC(C)(C)C(=O)N1CCCCCC1 223988277 136417088 /nfs/dbraw/zinc/41/70/88/136417088.db2.gz MBZONNBAAZBAPM-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN C[C@H](O)C(C)(C)NC(=O)[C@H]1CC1(C)C 227838918 136417325 /nfs/dbraw/zinc/41/73/25/136417325.db2.gz DOCIDMKFIXJPDJ-JGVFFNPUSA-N 0 0 199.294 1.308 10 0 ADAERN C[C@@H](O)C(C)(C)NC(=O)[C@H]1CC1(C)C 227838910 136417414 /nfs/dbraw/zinc/41/74/14/136417414.db2.gz DOCIDMKFIXJPDJ-HTQZYQBOSA-N 0 0 199.294 1.308 10 0 ADAERN CCc1ccc([C@H](C)NC(N)=O)cc1 242583444 136418482 /nfs/dbraw/zinc/41/84/82/136418482.db2.gz CHZIMKYBRWDWHX-QMMMGPOBSA-N 0 0 192.262 1.978 10 0 ADAERN F[C@@H]1CCN(c2cnccn2)C1 336188844 136430343 /nfs/dbraw/zinc/43/03/43/136430343.db2.gz FMJLINMZXFFMNA-SSDOTTSWSA-N 0 0 167.187 1.025 10 0 ADAERN O=C1CCC[C@@H](Cn2cncn2)C1 60932 342925280 /nfs/dbraw/zinc/92/52/80/342925280.db2.gz ZREKDCXPAFUSHL-MRVPVSSYSA-N 0 0 179.223 1.037 10 0 ADAERN CNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 117587 342927208 /nfs/dbraw/zinc/92/72/08/342927208.db2.gz RCPRDNHLNDSTGX-RNJXMRFFSA-N 0 0 184.308 1.269 10 0 ADAERN C[C@H]1CC(=O)Nc2ccccc2O1 161120 342930202 /nfs/dbraw/zinc/93/02/02/342930202.db2.gz ZPCZQESAHAVOLW-ZETCQYMHSA-N 0 0 177.203 1.796 10 0 ADAERN NC(=O)c1occ2ccccc12 225177 342931651 /nfs/dbraw/zinc/93/16/51/342931651.db2.gz RYGOIQLUQMADBB-UHFFFAOYSA-N 0 0 161.160 1.532 10 0 ADAERN Cc1ccc(CN2CCNC2=O)cc1 215740 342931659 /nfs/dbraw/zinc/93/16/59/342931659.db2.gz HHSBGGZSZPZXDQ-UHFFFAOYSA-N 0 0 190.246 1.520 10 0 ADAERN CC[C@H](N)C(=O)c1ccco1 235787 342932008 /nfs/dbraw/zinc/93/20/08/342932008.db2.gz HGLMKXXXMJEHDH-LURJTMIESA-N 0 0 153.181 1.200 10 0 ADAERN CC(C)Cc1nnc(NC=O)s1 247179 342932051 /nfs/dbraw/zinc/93/20/51/342932051.db2.gz GZXAXGWCXZTQDR-UHFFFAOYSA-N 0 0 185.252 1.305 10 0 ADAERN CC1=NC(=O)CN1c1ccccc1 290442 342932866 /nfs/dbraw/zinc/93/28/66/342932866.db2.gz RXZUCHHICJZKPZ-UHFFFAOYSA-N 0 0 174.203 1.452 10 0 ADAERN CCc1cnc(NC)s1 330660 342933174 /nfs/dbraw/zinc/93/31/74/342933174.db2.gz KZEDWKBYLQXPOQ-UHFFFAOYSA-N 0 0 142.227 1.747 10 0 ADAERN Cc1ccc(C(C)(C)C(N)=O)cc1 393473 342936839 /nfs/dbraw/zinc/93/68/39/342936839.db2.gz ABNUAFDYCOJGOZ-UHFFFAOYSA-N 0 0 177.247 1.758 10 0 ADAERN CC(=O)OC1=CCCC1 397582 342937911 /nfs/dbraw/zinc/93/79/11/342937911.db2.gz MBVZEDIBUZMQOR-UHFFFAOYSA-N 0 0 126.155 1.617 10 0 ADAERN Nc1ccc2c(c1)CC1(C2)OCCO1 1420642 342945234 /nfs/dbraw/zinc/94/52/34/342945234.db2.gz WNBBAHAGIFFWOY-UHFFFAOYSA-N 0 0 191.230 1.111 10 0 ADAERN CC(=O)O[C@@H](C)C(C)C 1555578 342946984 /nfs/dbraw/zinc/94/69/84/342946984.db2.gz ZLSXRPTWWRGMTJ-LURJTMIESA-N 0 0 130.187 1.594 10 0 ADAERN OC[C@H](O)/C=C/c1ccccc1 1557148 342947001 /nfs/dbraw/zinc/94/70/01/342947001.db2.gz NIKBSMYNKTUHIF-VQCYPWCPSA-N 0 0 164.204 1.053 10 0 ADAERN C[C@H]1C[C@](C)(Br)C(=O)O1 1556976 342947045 /nfs/dbraw/zinc/94/70/45/342947045.db2.gz UIGUFPIRJDSCNF-NJGYIYPDSA-N 0 0 193.040 1.475 10 0 ADAERN C[C@@H]1OC(c2ccccc2)=N[C@@H]1CO 1594641 342950103 /nfs/dbraw/zinc/95/01/03/342950103.db2.gz BDENHVIMPPMEIY-WCBMZHEXSA-N 0 0 191.230 1.213 10 0 ADAERN Cc1ccc(N(C)C(N)=O)cc1 1673524 342956772 /nfs/dbraw/zinc/95/67/72/342956772.db2.gz JPJWFNHMOPQSBQ-UHFFFAOYSA-N 0 0 164.208 1.510 10 0 ADAERN CC[C@]1(C2CCCC2)NC(=O)NC1=O 1695227 342959656 /nfs/dbraw/zinc/95/96/56/342959656.db2.gz IZEKSBWGLBFASZ-SNVBAGLBSA-N 0 0 196.250 1.165 10 0 ADAERN CCCCNc1cc(=S)nc(N)[nH]1 1670215 342956024 /nfs/dbraw/zinc/95/60/24/342956024.db2.gz AWZDAXGSRGUSGX-UHFFFAOYSA-N 0 0 198.295 1.933 10 0 ADAERN C[C@@H]([C@@H]([NH3+])C(=O)[O-])C(C)(C)C 1759516 342964256 /nfs/dbraw/zinc/96/42/56/342964256.db2.gz VSVANDHBXJEGCX-NTSWFWBYSA-N 0 0 159.229 1.081 10 0 ADAERN C1=CC2=C[C@H]3OCOC3=CC2=N1 2040904 342968563 /nfs/dbraw/zinc/96/85/63/342968563.db2.gz BGUGGEACYAZDOQ-MRVPVSSYSA-N 0 0 161.160 1.152 10 0 ADAERN Cc1cc(CN2CCCCC2)no1 2040146 342968566 /nfs/dbraw/zinc/96/85/66/342968566.db2.gz GTRKKZIHGWOERP-UHFFFAOYSA-N 0 0 180.251 1.969 10 0 ADAERN CC[C@@H](O)C1CCCC1 2168881 342970393 /nfs/dbraw/zinc/97/03/93/342970393.db2.gz JXLATLGQNUUYCG-MRVPVSSYSA-N 0 0 128.215 1.948 10 0 ADAERN CN(C)C(=O)Oc1ccccc1N 1997629 342965840 /nfs/dbraw/zinc/96/58/40/342965840.db2.gz DBTRZCIJZNZMHV-UHFFFAOYSA-N 0 0 180.207 1.329 10 0 ADAERN C[C@H](O)c1ccc2[nH]c(=O)oc2c1 2002997 342966217 /nfs/dbraw/zinc/96/62/17/342966217.db2.gz QIVZJZRUAFFKPJ-YFKPBYRVSA-N 0 0 179.175 1.174 10 0 ADAERN CC[C@H](C)OC[C@H](C)O 2003403 342966236 /nfs/dbraw/zinc/96/62/36/342966236.db2.gz KJOVIRMWPFJSTR-BQBZGAKWSA-N 0 0 132.203 1.182 10 0 ADAERN CCc1ccc(N)cc1N 2003745 342966257 /nfs/dbraw/zinc/96/62/57/342966257.db2.gz PTMVFRKAMOUORT-UHFFFAOYSA-N 0 0 136.198 1.413 10 0 ADAERN Cc1[nH]c2ccccc2c1C(=O)CO 2012416 342966503 /nfs/dbraw/zinc/96/65/03/342966503.db2.gz AOIQXGZLVRZENQ-UHFFFAOYSA-N 0 0 189.214 1.651 10 0 ADAERN CCc1cnc(CC)c(C)n1 2010484 342966548 /nfs/dbraw/zinc/96/65/48/342966548.db2.gz RJIREWQSLPRZFG-UHFFFAOYSA-N 0 0 150.225 1.910 10 0 endogenous,in-man ADAERN Cc1cn2c3ccccc3n(N)c2n1 3642694 342983230 /nfs/dbraw/zinc/98/32/30/342983230.db2.gz HPBZMVICQMKJMS-UHFFFAOYSA-N 0 0 186.218 1.311 10 0 ADAERN Cc1cccc(Cc2nc(N)n[nH]2)c1 3723254 342984214 /nfs/dbraw/zinc/98/42/14/342984214.db2.gz YRARPHKZEXXFNS-UHFFFAOYSA-N 0 0 188.234 1.286 10 0 ADAERN CCC(=O)Nc1sccc1C(N)=O 4275757 342990107 /nfs/dbraw/zinc/99/01/07/342990107.db2.gz GCOXWBDTAXMOMI-UHFFFAOYSA-N 0 0 198.247 1.196 10 0 ADAERN Cc1ccc(C)c2c(O)cc(=O)[nH]c12 3944942 342986090 /nfs/dbraw/zinc/98/60/90/342986090.db2.gz MOSKHICLCMUTSF-UHFFFAOYSA-N 0 0 189.214 1.851 10 0 ADAERN CC1(C)[C@H]2C[C@@](C)(O)[C@H](O)C[C@H]21 3921419 342986100 /nfs/dbraw/zinc/98/61/00/342986100.db2.gz AHVKNBRJVKCGKJ-IBCQBUCCSA-N 0 0 170.252 1.164 10 0 ADAERN Cc1ccc(C)n1[C@H](C)C(=O)N(C)C 4671479 342993492 /nfs/dbraw/zinc/99/34/92/342993492.db2.gz VDNLHUKJVUVOAE-SNVBAGLBSA-N 0 0 194.278 1.754 10 0 ADAERN Cc1ccc(-n2cnc(=O)[nH]2)cc1 4823239 342996170 /nfs/dbraw/zinc/99/61/70/342996170.db2.gz FWIYFXTYNUYUNW-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN Cc1ccc([C@H](O)c2nc[nH]n2)cc1 5416332 343002392 /nfs/dbraw/zinc/00/23/92/343002392.db2.gz XJESVXWQLSGHEJ-VIFPVBQESA-N 0 0 189.218 1.195 10 0 ADAERN CC1(C)Oc2c(O)cccc2[C@H]1O 5455572 343003107 /nfs/dbraw/zinc/00/31/07/343003107.db2.gz CNFFSKAZCVPTPA-SECBINFHSA-N 0 0 180.203 1.597 10 0 ADAERN CC(C)N(C(N)=O)C(C)C 5481803 343003485 /nfs/dbraw/zinc/00/34/85/343003485.db2.gz ORHBGEQYIZTYHV-UHFFFAOYSA-N 0 0 144.218 1.184 10 0 ADAERN O=c1[nH][nH]c2c1CCCCC2 4962255 342996864 /nfs/dbraw/zinc/99/68/64/342996864.db2.gz QXVHMLFNQLFORJ-UHFFFAOYSA-N 0 0 152.197 1.384 10 0 ADAERN Cc1cccc(OCC(N)=S)c1 5592688 343005508 /nfs/dbraw/zinc/00/55/08/343005508.db2.gz QPWNITSCCUGTIP-UHFFFAOYSA-N 0 0 181.260 1.660 10 0 ADAERN COC(=O)[C@]12CCCC1=CC(=O)CC2 5605989 343005512 /nfs/dbraw/zinc/00/55/12/343005512.db2.gz DILNFIWKMTYOPS-NSHDSACASA-N 0 0 194.230 1.619 10 0 ADAERN Cc1ccc(C)c(OCC(N)=S)c1 5592661 343005530 /nfs/dbraw/zinc/00/55/30/343005530.db2.gz QGOKNCMIGTWXQF-UHFFFAOYSA-N 0 0 195.287 1.968 10 0 ADAERN Cc1cccc(OCC(N)=S)c1C 5592662 343005543 /nfs/dbraw/zinc/00/55/43/343005543.db2.gz SJTBVASHQVJSPF-UHFFFAOYSA-N 0 0 195.287 1.968 10 0 ADAERN COC(=O)[C@@]12CCCC1=CC(=O)CC2 5605915 343005579 /nfs/dbraw/zinc/00/55/79/343005579.db2.gz DILNFIWKMTYOPS-LLVKDONJSA-N 0 0 194.230 1.619 10 0 ADAERN Cc1ccc(OCC(N)=S)c(C)c1 5592664 343005580 /nfs/dbraw/zinc/00/55/80/343005580.db2.gz ZPTLBZPMCFBODY-UHFFFAOYSA-N 0 0 195.287 1.968 10 0 ADAERN CC1(C)CC(=O)NN1c1ccccc1 5644940 343005963 /nfs/dbraw/zinc/00/59/63/343005963.db2.gz TWAVNLQGWZQKHD-UHFFFAOYSA-N 0 0 190.246 1.707 10 0 ADAERN CCOC/C=C/COCC 5650716 343005964 /nfs/dbraw/zinc/00/59/64/343005964.db2.gz HOJXZKAICPOWBW-AATRIKPKSA-N 0 0 144.214 1.616 10 0 ADAERN CN(C)CC(=O)c1ccccc1F 5717980 343006695 /nfs/dbraw/zinc/00/66/95/343006695.db2.gz VNLOKXWVMUKPFK-UHFFFAOYSA-N 0 0 181.210 1.570 10 0 ADAERN CCCC[C@H](O)[C@@H]1CCCC1=O 5821895 343008932 /nfs/dbraw/zinc/00/89/32/343008932.db2.gz DYVAUIYAEICDNS-IUCAKERBSA-N 0 0 170.252 1.907 10 0 ADAERN CCCCO[C@@H](C)COC[C@H](C)O 5821515 343008934 /nfs/dbraw/zinc/00/89/34/343008934.db2.gz RUYKSFADZRVSQT-UWVGGRQHSA-N 0 0 190.283 1.589 10 0 ADAERN CCCC[C@@](C)(CO)COC(N)=O 5821953 343008936 /nfs/dbraw/zinc/00/89/36/343008936.db2.gz FEMYUNCOXYVXAB-VIFPVBQESA-N 0 0 189.255 1.271 10 0 ADAERN CCCCCC[C@@H](CO)CCO 5820572 343008945 /nfs/dbraw/zinc/00/89/45/343008945.db2.gz WOEATUVURMLOMG-SNVBAGLBSA-N 0 0 174.284 1.948 10 0 ADAERN CCCC[C@H]1C=CC(=O)O1 5822224 343008948 /nfs/dbraw/zinc/00/89/48/343008948.db2.gz KGJZBUMJSZTLTA-ZETCQYMHSA-N 0 0 140.182 1.658 10 0 ADAERN CCn1c(=O)c(C)nc2ccccc21 5912142 343009487 /nfs/dbraw/zinc/00/94/87/343009487.db2.gz YPQOEHPFAFQSIE-UHFFFAOYSA-N 0 0 188.230 1.725 10 0 ADAERN Nc1ccc2c(c1)CCC(=O)C2 6045353 343012007 /nfs/dbraw/zinc/01/20/07/343012007.db2.gz LMUQVWOVAGZKSR-UHFFFAOYSA-N 0 0 161.204 1.327 10 0 ADAERN C[C@]1(NO)OC(=O)c2ccccc21 6417081 343014101 /nfs/dbraw/zinc/01/41/01/343014101.db2.gz ZELSOJQHMNTRSW-VIFPVBQESA-N 0 0 179.175 1.009 10 0 ADAERN CCCSC[C@@H](O)CF 5836975 343009111 /nfs/dbraw/zinc/00/91/11/343009111.db2.gz ADYKVEHQAPQRJV-LURJTMIESA-N 0 0 152.234 1.460 10 0 ADAERN Cc1cc(=O)[nH]c2c(N)cccc12 5891853 343009112 /nfs/dbraw/zinc/00/91/12/343009112.db2.gz ZTAPWQVSYSRGGB-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN C=C/C=C/OCC 5854008 343009154 /nfs/dbraw/zinc/00/91/54/343009154.db2.gz LDVKFLIDEBQMNX-AATRIKPKSA-N 0 0 98.145 1.723 10 0 ADAERN Cc1cnc(C)c(N(C)C)n1 6603800 343015550 /nfs/dbraw/zinc/01/55/50/343015550.db2.gz MGPSEZOAHGASTB-UHFFFAOYSA-N 0 0 151.213 1.159 10 0 ADAERN CCCn1c(C)cc(O)cc1=O 6666183 343016083 /nfs/dbraw/zinc/01/60/83/343016083.db2.gz PVPCCBVPEPJYMT-UHFFFAOYSA-N 0 0 167.208 1.272 10 0 ADAERN C[C@H]1CNc2ccccc2S1(=O)=O 6751659 343016417 /nfs/dbraw/zinc/01/64/17/343016417.db2.gz HCSAUZFWOPNCMW-ZETCQYMHSA-N 0 0 197.259 1.274 10 0 ADAERN C[C@H](c1ccccc1)N(C)C=O 6932229 343016771 /nfs/dbraw/zinc/01/67/71/343016771.db2.gz YYPINKULTUCCJA-SECBINFHSA-N 0 0 163.220 1.836 10 0 ADAERN CCn1c(=O)oc2ccc(C)cc21 8090665 343017696 /nfs/dbraw/zinc/01/76/96/343017696.db2.gz TZUKNYLQVSGUOF-UHFFFAOYSA-N 0 0 177.203 1.923 10 0 ADAERN Cc1cc(=NN)[nH]c2ccc(F)cc12 8409913 343018314 /nfs/dbraw/zinc/01/83/14/343018314.db2.gz WGNGYXUMBBDTJN-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN c1ccc2c(c1)OCCOCCO2 9873115 343021788 /nfs/dbraw/zinc/02/17/88/343021788.db2.gz HOWRGZDIVIHRJM-UHFFFAOYSA-N 0 0 180.203 1.474 10 0 ADAERN CC(C)Cc1nnc([C@@H](C)N)o1 11586043 343022984 /nfs/dbraw/zinc/02/29/84/343022984.db2.gz LPKIZZOKKLMPTQ-ZCFIWIBFSA-N 0 0 169.228 1.288 10 0 ADAERN Cc1ccccc1-c1nnc(CN)o1 11585607 343023035 /nfs/dbraw/zinc/02/30/35/343023035.db2.gz XPAZROTWZFDDNR-UHFFFAOYSA-N 0 0 189.218 1.504 10 0 ADAERN CC(C)Cc1nnc([C@H](C)N)o1 11586044 343023037 /nfs/dbraw/zinc/02/30/37/343023037.db2.gz LPKIZZOKKLMPTQ-LURJTMIESA-N 0 0 169.228 1.288 10 0 ADAERN C[C@H](N)c1nnc(-c2ccco2)o1 11586056 343023076 /nfs/dbraw/zinc/02/30/76/343023076.db2.gz MASQSDGVXPJJIX-YFKPBYRVSA-N 0 0 179.179 1.349 10 0 ADAERN CCCc1sc(N)nc1C 13209039 343033795 /nfs/dbraw/zinc/03/37/95/343033795.db2.gz PZMNTZHFZSFBMY-UHFFFAOYSA-N 0 0 156.254 1.986 10 0 ADAERN COC(=O)c1ccc(C)c(O)c1N 13353190 343034166 /nfs/dbraw/zinc/03/41/66/343034166.db2.gz LCWCXHCYRCEVCP-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN Cc1cc2ccc(F)cc2[nH]c1=NN 11633995 343024080 /nfs/dbraw/zinc/02/40/80/343024080.db2.gz QXLJRMHZVDGWFX-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1ccccc1C(=O)[C@@H](C)O 13534495 343035661 /nfs/dbraw/zinc/03/56/61/343035661.db2.gz JKWDUWGSBORZAT-MRVPVSSYSA-N 0 0 164.204 1.559 10 0 ADAERN CN(C)c1cccc2[nH]cnc12 13547977 343036461 /nfs/dbraw/zinc/03/64/61/343036461.db2.gz CZGZMSQNEUZOFY-UHFFFAOYSA-N 0 0 161.208 1.629 10 0 ADAERN Cc1cccc(-c2cn[nH]n2)n1 13671901 343037017 /nfs/dbraw/zinc/03/70/17/343037017.db2.gz XNNSLZNPJNKJKZ-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Cc1nc(C(C)C)c(=O)[nH]c1C 13889174 343037850 /nfs/dbraw/zinc/03/78/50/343037850.db2.gz VUAFUBKZULTSCO-UHFFFAOYSA-N 0 0 166.224 1.510 10 0 ADAERN C[C@H]1CCCC[C@H]1NS(C)(=O)=O 13939390 343038179 /nfs/dbraw/zinc/03/81/79/343038179.db2.gz DDEWBVWAXUKTOC-JGVFFNPUSA-N 0 0 191.296 1.114 10 0 ADAERN CC(C)[C@H]1CC[C@](C)(O)CC1=O 14487946 343038621 /nfs/dbraw/zinc/03/86/21/343038621.db2.gz MITMEWYOGQSHSC-SCZZXKLOSA-N 0 0 170.252 1.763 10 0 ADAERN CCCCCC(=O)[C@](C)(O)C(C)=O 14490657 343038658 /nfs/dbraw/zinc/03/86/58/343038658.db2.gz LWAGDIOTWITDPB-SNVBAGLBSA-N 0 0 186.251 1.476 10 0 ADAERN CC1=CC(=O)N/C1=C\C(C)C 14683278 343039801 /nfs/dbraw/zinc/03/98/01/343039801.db2.gz NZFGXTZLJPSCGW-YWEYNIOJSA-N 0 0 151.209 1.602 10 0 ADAERN Cc1ccc(O)c2nc(N)sc12 17158384 343046082 /nfs/dbraw/zinc/04/60/82/343046082.db2.gz IOQRRTGEBXOWRT-UHFFFAOYSA-N 0 0 180.232 1.893 10 0 ADAERN COCc1ccc(OC)c(OC)c1 15119270 343041326 /nfs/dbraw/zinc/04/13/26/343041326.db2.gz YXXOJIJNHQBMMD-UHFFFAOYSA-N 0 0 182.219 1.850 10 0 in-vitro ADAERN CC(C)CCC[C@](C)(O)CCO 15120723 343041333 /nfs/dbraw/zinc/04/13/33/343041333.db2.gz LTCZAAUBVPCAHG-JTQLQIEISA-N 0 0 174.284 1.946 10 0 ADAERN CCc1cccc2c1[C@](C)(O)C(=O)N2 15042421 343041350 /nfs/dbraw/zinc/04/13/50/343041350.db2.gz BIEZABJQZMENGK-NSHDSACASA-N 0 0 191.230 1.409 10 0 ADAERN CC/C=C\C[C@H](C)O 15272647 343041774 /nfs/dbraw/zinc/04/17/74/343041774.db2.gz KZUFTCBJDQXWOJ-MJSGSUOKSA-N 0 0 114.188 1.724 10 0 endogenous,in-man ADAERN CC[C@H](C)Cc1nnc(N)s1 15415898 343041781 /nfs/dbraw/zinc/04/17/81/343041781.db2.gz WYPMIDSZLNJMEN-YFKPBYRVSA-N 0 0 171.269 1.709 10 0 ADAERN Cc1[nH]c(C)c2c(=O)[nH]ncc12 15924178 343043273 /nfs/dbraw/zinc/04/32/73/343043273.db2.gz RPZBQNYRWHZMBY-UHFFFAOYSA-N 0 0 163.180 1.280 10 0 ADAERN CCC[C@@H](C)[C@@H]1SC(=N)NC1=O 17005329 343045417 /nfs/dbraw/zinc/04/54/17/343045417.db2.gz QKSWNEDBQQTXAU-RITPCOANSA-N 0 0 186.280 1.589 10 0 ADAERN CC1=Cc2cccn2C1=O 18302459 343048356 /nfs/dbraw/zinc/04/83/56/343048356.db2.gz JHSSLTWRNHFUAZ-UHFFFAOYSA-N 0 0 133.150 1.545 10 0 ADAERN C[C@H]1CCc2nccn2C1 18554782 343048882 /nfs/dbraw/zinc/04/88/82/343048882.db2.gz SPWPDBBFHMVOHM-ZETCQYMHSA-N 0 0 136.198 1.465 10 0 ADAERN Cc1ccc2c(n1)COC2 18531955 343048898 /nfs/dbraw/zinc/04/88/98/343048898.db2.gz HMFKBSNJNVHVFP-UHFFFAOYSA-N 0 0 135.166 1.420 10 0 ADAERN Cc1cn2cccc2cn1 18555934 343048903 /nfs/dbraw/zinc/04/89/03/343048903.db2.gz XYRFUMWGAXDPKS-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN Cc1ccc2c(n1)OCC2 18532298 343048922 /nfs/dbraw/zinc/04/89/22/343048922.db2.gz YHVHESUHJNZEEN-UHFFFAOYSA-N 0 0 135.166 1.325 10 0 ADAERN Cc1ccn2c1C=CC2=O 18735279 343048943 /nfs/dbraw/zinc/04/89/43/343048943.db2.gz TUQZTDYIURUUTN-UHFFFAOYSA-N 0 0 133.150 1.464 10 0 ADAERN CC(C)(NC(N)=O)C1CCC1 18677845 343048951 /nfs/dbraw/zinc/04/89/51/343048951.db2.gz BTIMBVZSQTVQMG-UHFFFAOYSA-N 0 0 156.229 1.233 10 0 ADAERN CCCCC[C@H]1O[C@@H]1CO 19060494 343049193 /nfs/dbraw/zinc/04/91/93/343049193.db2.gz PFEZFCUFFWFUKS-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@H]1CC[C@H](C)N1N1CCOCC1 19167394 343051510 /nfs/dbraw/zinc/05/15/10/343051510.db2.gz CTJBMSQWZVPIBG-UWVGGRQHSA-N 0 0 184.283 1.106 10 0 ADAERN CCC1(CC)CN(C)N(C)C1 19170840 343051992 /nfs/dbraw/zinc/05/19/92/343051992.db2.gz SAWDBFIYXUOZCI-UHFFFAOYSA-N 0 0 156.273 1.585 10 0 ADAERN CC[C@H](C)[C@@H](N)c1nc(C)no1 20019220 343065862 /nfs/dbraw/zinc/06/58/62/343065862.db2.gz IBTFMUYKBNADIJ-CAHLUQPWSA-N 0 0 169.228 1.424 10 0 ADAERN Cc1ccc([C@@H](C)O)o1 20030842 343066219 /nfs/dbraw/zinc/06/62/19/343066219.db2.gz NYWUEUASUFTGQW-ZCFIWIBFSA-N 0 0 126.155 1.641 10 0 ADAERN CNC(=O)CNc1ccc(Cl)cc1 20051211 343066225 /nfs/dbraw/zinc/06/62/25/343066225.db2.gz PAEGMKGJVJVJIB-UHFFFAOYSA-N 0 0 198.653 1.498 10 0 ADAERN CNC(=O)CNc1ccc(C)c(C)c1 20050871 343066229 /nfs/dbraw/zinc/06/62/29/343066229.db2.gz ZSZYENBQPMYBKI-UHFFFAOYSA-N 0 0 192.262 1.461 10 0 ADAERN CCc1ccc(NCC(=O)NC)cc1 20053722 343066677 /nfs/dbraw/zinc/06/66/77/343066677.db2.gz DNDLISKLHOYXKZ-UHFFFAOYSA-N 0 0 192.262 1.407 10 0 ADAERN CNC(=O)CNc1ccc(F)cc1C 20054523 343066695 /nfs/dbraw/zinc/06/66/95/343066695.db2.gz QSTSUVSDDGTSKX-UHFFFAOYSA-N 0 0 196.225 1.292 10 0 ADAERN CNC(=O)CNc1ccc(C)c(F)c1 20053824 343066700 /nfs/dbraw/zinc/06/67/00/343066700.db2.gz WSDHEEFVUAJJEJ-UHFFFAOYSA-N 0 0 196.225 1.292 10 0 ADAERN CNC(=O)CNc1cc(F)ccc1C 20053493 343066702 /nfs/dbraw/zinc/06/67/02/343066702.db2.gz KNOAGLMBWPRLCQ-UHFFFAOYSA-N 0 0 196.225 1.292 10 0 ADAERN CN1CCN(c2ccccc2)C1=O 20220074 343069591 /nfs/dbraw/zinc/06/95/91/343069591.db2.gz OATUGMMYMNQPFZ-UHFFFAOYSA-N 0 0 176.219 1.558 10 0 ADAERN Cc1cc(C)nc(C[C@H](C)O)c1 20353139 343072000 /nfs/dbraw/zinc/07/20/00/343072000.db2.gz WSONLZWGCJYVGZ-VIFPVBQESA-N 0 0 165.236 1.622 10 0 ADAERN Cc1cc(C)nc(C[C@@H](C)O)c1 20353136 343072039 /nfs/dbraw/zinc/07/20/39/343072039.db2.gz WSONLZWGCJYVGZ-SECBINFHSA-N 0 0 165.236 1.622 10 0 ADAERN C[C@H](O)C[C@@H](O)c1ccccc1 21952158 343076161 /nfs/dbraw/zinc/07/61/61/343076161.db2.gz QTYZWFQTOYXFBL-WCBMZHEXSA-N 0 0 166.220 1.491 10 0 ADAERN C[C@H](CO)C(=O)c1ccccc1 21997010 343077156 /nfs/dbraw/zinc/07/71/56/343077156.db2.gz YHHKOCQFUSUCCG-MRVPVSSYSA-N 0 0 164.204 1.498 10 0 ADAERN Cc1nccn1-c1ccc(N)c(F)c1 21987611 343077157 /nfs/dbraw/zinc/07/71/57/343077157.db2.gz FYPWCYYDNHFMPL-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CCC(CC)[C@H]1CNC(=O)C1 21988603 343077180 /nfs/dbraw/zinc/07/71/80/343077180.db2.gz IRPATAPLXFGGCZ-MRVPVSSYSA-N 0 0 155.241 1.559 10 0 ADAERN C[C@H]1N=CNc2cnccc21 20978960 343075219 /nfs/dbraw/zinc/07/52/19/343075219.db2.gz INUIOPZGTCXYLI-ZCFIWIBFSA-N 0 0 147.181 1.406 10 0 ADAERN Cc1cc(=O)n2c(C)c(C)sc2n1 21366988 343075588 /nfs/dbraw/zinc/07/55/88/343075588.db2.gz JAZYPQUVEOEZOL-UHFFFAOYSA-N 0 0 194.259 1.681 10 0 ADAERN CO[C@@H]1CCCCCC1=O 23702759 343083976 /nfs/dbraw/zinc/08/39/76/343083976.db2.gz BQHRSBPOYHEYHI-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN CO[C@H]1CCCCCC1=O 23702761 343083980 /nfs/dbraw/zinc/08/39/80/343083980.db2.gz BQHRSBPOYHEYHI-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN 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/nfs/dbraw/zinc/11/32/62/343113262.db2.gz UGEKKDUXQKGWRV-UHFFFAOYSA-N 0 0 174.203 1.486 10 0 ADAERN Cc1cc2occc2c[n+]1[O-] 34204405 343113595 /nfs/dbraw/zinc/11/35/95/343113595.db2.gz RGYWWMVRWHJCOZ-UHFFFAOYSA-N 0 0 149.149 1.375 10 0 ADAERN C[C@]1(O)CCc2ccccc2C1=O 34227363 343113978 /nfs/dbraw/zinc/11/39/78/343113978.db2.gz HAMPENXKJTUEGY-NSHDSACASA-N 0 0 176.215 1.567 10 0 ADAERN C[C@@H]1CCC[C@@H](C)C(=O)O1 34235944 343113988 /nfs/dbraw/zinc/11/39/88/343113988.db2.gz RMGLXNNPIUPFQA-RNFRBKRXSA-N 0 0 142.198 1.738 10 0 ADAERN CO/C(C)=C/C(=O)OC(C)(C)C 34250803 343114620 /nfs/dbraw/zinc/11/46/20/343114620.db2.gz UISVNTFTDKGQAY-VOTSOKGWSA-N 0 0 172.224 1.878 10 0 ADAERN CN1CCC(=O)[C@H]1c1cccnc1 34265015 343114866 /nfs/dbraw/zinc/11/48/66/343114866.db2.gz AITVUXPLZOKMQQ-SNVBAGLBSA-N 0 0 176.219 1.027 10 0 ADAERN N#Cc1ccccc1/C=C/C(N)=O 34256760 343114881 /nfs/dbraw/zinc/11/48/81/343114881.db2.gz DCHNUSCMTCXDSJ-AATRIKPKSA-N 0 0 172.187 1.057 10 0 ADAERN CN1CCC(=O)[C@@H]1c1cccnc1 34265014 343114915 /nfs/dbraw/zinc/11/49/15/343114915.db2.gz AITVUXPLZOKMQQ-JTQLQIEISA-N 0 0 176.219 1.027 10 0 ADAERN CCC(=O)OC[C@H]1COC(C)(C)O1 34256384 343114925 /nfs/dbraw/zinc/11/49/25/343114925.db2.gz NGWPJKMXMOMEGH-ZETCQYMHSA-N 0 0 188.223 1.091 10 0 biogenic ADAERN CC(C)/C=C\CCO 34070852 343109259 /nfs/dbraw/zinc/10/92/59/343109259.db2.gz AZEDRJOTTIHOIQ-HYXAFXHYSA-N 0 0 114.188 1.581 10 0 ADAERN C[C@@]1(CO)CCC=CO1 34067738 343109335 /nfs/dbraw/zinc/10/93/35/343109335.db2.gz RAIAVFRYRUYJLL-ZETCQYMHSA-N 0 0 128.171 1.062 10 0 ADAERN COCC(=O)c1ccccc1OC 34306439 343116054 /nfs/dbraw/zinc/11/60/54/343116054.db2.gz WEDIKFMKQKSZSG-UHFFFAOYSA-N 0 0 180.203 1.524 10 0 ADAERN C[C@H]1CCC(=O)N1C(C)(C)C 34307412 343116384 /nfs/dbraw/zinc/11/63/84/343116384.db2.gz FROZUZNPDROCKK-ZETCQYMHSA-N 0 0 155.241 1.796 10 0 ADAERN CN1C(=O)C(C)(C)Oc2ccccc21 34319890 343116387 /nfs/dbraw/zinc/11/63/87/343116387.db2.gz YTKSMZZAEJCLAQ-UHFFFAOYSA-N 0 0 191.230 1.820 10 0 ADAERN CC[C@H](O)CCc1ccco1 34319491 343116393 /nfs/dbraw/zinc/11/63/93/343116393.db2.gz AGFVTQAUQIVKRQ-QMMMGPOBSA-N 0 0 154.209 1.983 10 0 ADAERN C/C=C/C(C)=C/CO 34327538 343116755 /nfs/dbraw/zinc/11/67/55/343116755.db2.gz MOEBANQVGCZVQC-BDWKERMESA-N 0 0 112.172 1.501 10 0 ADAERN Cc1nc(-c2ncc[nH]2)cs1 34330198 343116778 /nfs/dbraw/zinc/11/67/78/343116778.db2.gz QDNKHSKAIOANDS-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN C[C@H]1NC(=O)c2ccccc2N1 34370125 343117603 /nfs/dbraw/zinc/11/76/03/343117603.db2.gz PPEWCSSFVFQSCD-ZCFIWIBFSA-N 0 0 162.192 1.188 10 0 ADAERN COc1ccc(C)c(N)c1O 34425136 343118865 /nfs/dbraw/zinc/11/88/65/343118865.db2.gz ZTPJHPJDWIHXLB-UHFFFAOYSA-N 0 0 153.181 1.291 10 0 ADAERN CCNc1nc2ccccc2nc1N 34414388 343118868 /nfs/dbraw/zinc/11/88/68/343118868.db2.gz ZNNRCZDDGDKOQI-UHFFFAOYSA-N 0 0 188.234 1.644 10 0 ADAERN C[C@H]1CCC[C@H]1CC(=O)N(C)C 34413453 343118869 /nfs/dbraw/zinc/11/88/69/343118869.db2.gz HBIRHEROSZMVFS-IUCAKERBSA-N 0 0 169.268 1.901 10 0 ADAERN CCCC(=O)c1cccnn1 34426649 343118911 /nfs/dbraw/zinc/11/89/11/343118911.db2.gz AFFAKTZHNQLEDM-UHFFFAOYSA-N 0 0 150.181 1.459 10 0 ADAERN CC(C)Nc1nc(CO)cs1 34447505 343119348 /nfs/dbraw/zinc/11/93/48/343119348.db2.gz HCRMPJNFKOWKBH-UHFFFAOYSA-N 0 0 172.253 1.456 10 0 ADAERN COc1ccc(N)c2c1NCCC2=O 34441576 343119380 /nfs/dbraw/zinc/11/93/80/343119380.db2.gz FLXWBFAHJLOHIC-UHFFFAOYSA-N 0 0 192.218 1.276 10 0 ADAERN OCc1csc(NC2CC2)n1 34447507 343119385 /nfs/dbraw/zinc/11/93/85/343119385.db2.gz CHGHHDRXGIQVFN-UHFFFAOYSA-N 0 0 170.237 1.210 10 0 ADAERN C=C(C(=O)OC)c1ccc(OC)cc1 34446807 343119389 /nfs/dbraw/zinc/11/93/89/343119389.db2.gz CBPNSZGBDCGGFR-UHFFFAOYSA-N 0 0 192.214 1.881 10 0 ADAERN Cc1nc(N)c2c(F)cccc2n1 34437022 343119392 /nfs/dbraw/zinc/11/93/92/343119392.db2.gz KUKDZIXHMRLAHF-UHFFFAOYSA-N 0 0 177.182 1.660 10 0 ADAERN CC1=N[C@@H]2CCCC[C@@H]2O1 34448228 343119399 /nfs/dbraw/zinc/11/93/99/343119399.db2.gz DAHOOHZYUHETID-SFYZADRCSA-N 0 0 139.198 1.746 10 0 ADAERN CC1=N[C@H]2CCCC[C@@H]2O1 34448229 343119406 /nfs/dbraw/zinc/11/94/06/343119406.db2.gz DAHOOHZYUHETID-YUMQZZPRSA-N 0 0 139.198 1.746 10 0 ADAERN Cc1ccc(C(C)C)c[n+]1[O-] 34446517 343119414 /nfs/dbraw/zinc/11/94/14/343119414.db2.gz MOBYMJMVRGHDMK-UHFFFAOYSA-N 0 0 151.209 1.752 10 0 ADAERN N#Cc1ccccc1/C=C\C(N)=O 34256761 343114982 /nfs/dbraw/zinc/11/49/82/343114982.db2.gz DCHNUSCMTCXDSJ-WAYWQWQTSA-N 0 0 172.187 1.057 10 0 ADAERN CCN(C(=O)S)C(C)C 34276281 343115370 /nfs/dbraw/zinc/11/53/70/343115370.db2.gz UYSCVWSBYYGINB-UHFFFAOYSA-N 0 0 147.243 1.767 10 0 ADAERN C/C(=C\CO)C(C)(C)C 34278434 343115375 /nfs/dbraw/zinc/11/53/75/343115375.db2.gz RXYHZISPKULRHT-FNORWQNLSA-N 0 0 128.215 1.971 10 0 ADAERN Cc1cc(CCO)ccc1O 34278560 343115397 /nfs/dbraw/zinc/11/53/97/343115397.db2.gz MNHNBTLEEPBEFZ-UHFFFAOYSA-N 0 0 152.193 1.235 10 0 ADAERN CNC(=O)C(C(C)C)C(C)C 34278576 343115401 /nfs/dbraw/zinc/11/54/01/343115401.db2.gz RNBYINBRAYDGLM-UHFFFAOYSA-N 0 0 157.257 1.661 10 0 ADAERN C/C=C(C)/C=C/CO 34294897 343115715 /nfs/dbraw/zinc/11/57/15/343115715.db2.gz WGDNYTTYAVSARF-JLVHPEPXSA-N 0 0 112.172 1.501 10 0 ADAERN COc1cc(CO)ncc1Cl 34288874 343115753 /nfs/dbraw/zinc/11/57/53/343115753.db2.gz ONEDJPAUQCOCCJ-UHFFFAOYSA-N 0 0 173.599 1.236 10 0 ADAERN Cc1c[nH]c(=O)c2ccoc12 34284901 343115810 /nfs/dbraw/zinc/11/58/10/343115810.db2.gz TWZCPBXHDVECOB-UHFFFAOYSA-N 0 0 149.149 1.430 10 0 ADAERN N=C(N)c1cc2ccc(F)cc2o1 34556835 343121749 /nfs/dbraw/zinc/12/17/49/343121749.db2.gz FDXJGRRBRCFNAK-UHFFFAOYSA-N 0 0 178.166 1.856 10 0 ADAERN CC(=O)C[C@H](O)CCc1ccccc1 34565947 343121754 /nfs/dbraw/zinc/12/17/54/343121754.db2.gz YQOYJANCWJWEAE-GFCCVEGCSA-N 0 0 192.258 1.959 10 0 ADAERN COc1cccc2cc(C(=N)N)oc12 34556832 343121916 /nfs/dbraw/zinc/12/19/16/343121916.db2.gz MLYJXXPKSVAMOX-UHFFFAOYSA-N 0 0 190.202 1.725 10 0 ADAERN C[C@]1(O)C=Cc2ccccc2C1=O 34567498 343122213 /nfs/dbraw/zinc/12/22/13/343122213.db2.gz UPMGFDGCNBDWJI-NSHDSACASA-N 0 0 174.199 1.647 10 0 ADAERN C[C@@]1(O)C=Cc2ccccc2C1=O 34567500 343122214 /nfs/dbraw/zinc/12/22/14/343122214.db2.gz UPMGFDGCNBDWJI-LLVKDONJSA-N 0 0 174.199 1.647 10 0 ADAERN CC1(C)O[C@H]2CCC(=O)C[C@H]2O1 34567308 343122225 /nfs/dbraw/zinc/12/22/25/343122225.db2.gz IDLWXKVEMSHQFY-JGVFFNPUSA-N 0 0 170.208 1.260 10 0 ADAERN CCOC(=O)[C@H](C(C)C)n1ccnc1 34611663 343123367 /nfs/dbraw/zinc/12/33/67/343123367.db2.gz ZNQKNYKEWJSRLR-VIFPVBQESA-N 0 0 196.250 1.643 10 0 ADAERN Cc1cc(C)cc(C(=O)CO)c1 34616079 343123373 /nfs/dbraw/zinc/12/33/73/343123373.db2.gz DBYMZNOFJHQFFD-UHFFFAOYSA-N 0 0 164.204 1.478 10 0 ADAERN Cc1ccc([C@@H](C)C(N)=O)cc1 34614546 343123377 /nfs/dbraw/zinc/12/33/77/343123377.db2.gz IXXSHKNFXKQRHH-MRVPVSSYSA-N 0 0 163.220 1.584 10 0 ADAERN CNC(=O)Cc1nc(C2CC2)cs1 34611671 343123391 /nfs/dbraw/zinc/12/33/91/343123391.db2.gz MGTAQNOODOSGIF-UHFFFAOYSA-N 0 0 196.275 1.309 10 0 ADAERN CC(C)=CC(=O)N1CCCC1=O 34621900 343123736 /nfs/dbraw/zinc/12/37/36/343123736.db2.gz PEQFDTVHDBMETB-UHFFFAOYSA-N 0 0 167.208 1.102 10 0 ADAERN CC1(C)COc2cnccc21 34621694 343123737 /nfs/dbraw/zinc/12/37/37/343123737.db2.gz XPIFGTFMUSQIJL-UHFFFAOYSA-N 0 0 149.193 1.752 10 0 ADAERN CCCCC/C=C\C[C@H](O)CO 34618165 343123738 /nfs/dbraw/zinc/12/37/38/343123738.db2.gz WBMVOLPFVJEVDJ-GFVADAIESA-N 0 0 172.268 1.866 10 0 ADAERN O=C1C[C@@H](C2CCCCC2)O1 34621752 343123757 /nfs/dbraw/zinc/12/37/57/343123757.db2.gz YYBSHPWHDZVUPV-QMMMGPOBSA-N 0 0 154.209 1.882 10 0 ADAERN C[C@@H]1Cc2ccc(N)cc2NC1=O 34727160 343124425 /nfs/dbraw/zinc/12/44/25/343124425.db2.gz DJWMFXLIVZBVTR-ZCFIWIBFSA-N 0 0 176.219 1.400 10 0 ADAERN CC(C)c1ccc(CO)cc1N 34727858 343124437 /nfs/dbraw/zinc/12/44/37/343124437.db2.gz JNCRNRKEOXWCNM-UHFFFAOYSA-N 0 0 165.236 1.885 10 0 ADAERN C[C@H]1Cc2ccc(N)cc2NC1=O 34727163 343124446 /nfs/dbraw/zinc/12/44/46/343124446.db2.gz DJWMFXLIVZBVTR-LURJTMIESA-N 0 0 176.219 1.400 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](C)CNC1=O 34741791 343124454 /nfs/dbraw/zinc/12/44/54/343124454.db2.gz XTGVNDCCKLFHJY-BDAKNGLRSA-N 0 0 169.268 1.805 10 0 ADAERN CC1(C)CCC[C@@H](NC(N)=S)C1 34742336 343124455 /nfs/dbraw/zinc/12/44/55/343124455.db2.gz PFMLXBWLZZAHCL-SSDOTTSWSA-N 0 0 186.324 1.788 10 0 ADAERN CC(C)Oc1cc(C=O)ccc1O 34746529 343124748 /nfs/dbraw/zinc/12/47/48/343124748.db2.gz MUXFIYORPMXGNT-UHFFFAOYSA-N 0 0 180.203 1.992 10 0 ADAERN COC(=O)c1ccc2ccccn12 34753724 343124750 /nfs/dbraw/zinc/12/47/50/343124750.db2.gz OLNNYBMQLAHBKD-UHFFFAOYSA-N 0 0 175.187 1.726 10 0 ADAERN CN1CCc2[nH]c(=S)sc2C1 34760009 343124765 /nfs/dbraw/zinc/12/47/65/343124765.db2.gz RBCZJSSIKZVJFN-UHFFFAOYSA-N 0 0 186.305 1.420 10 0 ADAERN CCC[C@H]1CCC1=O 34753393 343124769 /nfs/dbraw/zinc/12/47/69/343124769.db2.gz DUOYRZPCIKJHMH-LURJTMIESA-N 0 0 112.172 1.766 10 0 ADAERN CCC1=NCCn2c(C)cc(C=O)c21 34758975 343124782 /nfs/dbraw/zinc/12/47/82/343124782.db2.gz UQIKQVZWPJPKQJ-UHFFFAOYSA-N 0 0 190.246 1.822 10 0 ADAERN CCCO[C@@H](C)OCC 34827363 343125697 /nfs/dbraw/zinc/12/56/97/343125697.db2.gz SFYFEHYGHYITPC-ZETCQYMHSA-N 0 0 131.195 1.610 10 0 ADAERN C[C@H]1CCCC[C@H]1NC(N)=S 34938867 343125783 /nfs/dbraw/zinc/12/57/83/343125783.db2.gz CAOMLGGTPPGEFR-NKWVEPMBSA-N 0 0 172.297 1.398 10 0 ADAERN CC[C@H](C)Sc1nc(N)cc(=O)[nH]1 34956547 343126253 /nfs/dbraw/zinc/12/62/53/343126253.db2.gz CYCKODXMWOEASB-YFKPBYRVSA-N 0 0 199.279 1.243 10 0 ADAERN CCC(C)(C)NC(N)=S 34971888 343126767 /nfs/dbraw/zinc/12/67/67/343126767.db2.gz WYVNTUOOQQICLA-UHFFFAOYSA-N 0 0 146.259 1.008 10 0 ADAERN CC1=N[C@@H]2CCCC[C@H]2O1 34448231 343119422 /nfs/dbraw/zinc/11/94/22/343119422.db2.gz DAHOOHZYUHETID-HTQZYQBOSA-N 0 0 139.198 1.746 10 0 ADAERN Cc1cc(C(C)C)cnn1 34447630 343119429 /nfs/dbraw/zinc/11/94/29/343119429.db2.gz KLVLMZHNIICRKS-UHFFFAOYSA-N 0 0 136.198 1.908 10 0 ADAERN OCC[C@H](O)C1CCCCC1 34448606 343119440 /nfs/dbraw/zinc/11/94/40/343119440.db2.gz ZBJDOGKUWVTDQA-VIFPVBQESA-N 0 0 158.241 1.310 10 0 ADAERN CCO[C@@H](CC)CCCCO 34447121 343119452 /nfs/dbraw/zinc/11/94/52/343119452.db2.gz ZJLRAQYKHFMAPE-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN Cc1ccn(Cn2ccc(C)n2)n1 34497596 343120532 /nfs/dbraw/zinc/12/05/32/343120532.db2.gz PJBCRCGOAILBKK-UHFFFAOYSA-N 0 0 176.223 1.202 10 0 ADAERN c1cnnc(N2CCCCC2)c1 34540227 343121463 /nfs/dbraw/zinc/12/14/63/343121463.db2.gz GOCQGHHDQKPGGC-UHFFFAOYSA-N 0 0 163.224 1.467 10 0 ADAERN C[C@H](O)c1ccccc1-n1cncn1 35650571 343135498 /nfs/dbraw/zinc/13/54/98/343135498.db2.gz DYBNNVYFSSTERM-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN COc1cccc(OCCCCO)c1 35650225 343135520 /nfs/dbraw/zinc/13/55/20/343135520.db2.gz PPBKEANOFPNHDT-UHFFFAOYSA-N 0 0 196.246 1.847 10 0 ADAERN OCCCCOc1cccc(F)c1 35650252 343135528 /nfs/dbraw/zinc/13/55/28/343135528.db2.gz ZXBAUMRJRLBJLY-UHFFFAOYSA-N 0 0 184.210 1.977 10 0 ADAERN O=C1NCCOc2c(Cl)cccc21 35653689 343135997 /nfs/dbraw/zinc/13/59/97/343135997.db2.gz UENRMCYFKIPQMS-UHFFFAOYSA-N 0 0 197.621 1.462 10 0 ADAERN COCCS[C@@H](C)CC(=O)OC 35741135 343137919 /nfs/dbraw/zinc/13/79/19/343137919.db2.gz DQRKHUAKRVLANY-ZETCQYMHSA-N 0 0 192.280 1.318 10 0 ADAERN C[C@H](NC(N)=S)c1cccs1 35736770 343137930 /nfs/dbraw/zinc/13/79/30/343137930.db2.gz HKEHWSUOPUXTPJ-YFKPBYRVSA-N 0 0 186.305 1.642 10 0 ADAERN C[C@H](c1ccco1)N1CCC(=O)C1 35739371 343137933 /nfs/dbraw/zinc/13/79/33/343137933.db2.gz VUBIPIGSZNJOTO-MRVPVSSYSA-N 0 0 179.219 1.615 10 0 ADAERN C[C@H]([C@H]1CCCO1)n1cn[nH]c1=S 35736318 343137939 /nfs/dbraw/zinc/13/79/39/343137939.db2.gz SVJLIQIGVBFBIP-RNFRBKRXSA-N 0 0 199.279 1.681 10 0 ADAERN COCCS[C@H](C)CC(=O)OC 35741136 343137950 /nfs/dbraw/zinc/13/79/50/343137950.db2.gz DQRKHUAKRVLANY-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN C[C@H]([C@@H]1CCCO1)n1cn[nH]c1=S 35736316 343137961 /nfs/dbraw/zinc/13/79/61/343137961.db2.gz SVJLIQIGVBFBIP-RQJHMYQMSA-N 0 0 199.279 1.681 10 0 ADAERN C[C@H]1CCC[C@H]([NH2+]CC(=O)[O-])C1 34959541 343126781 /nfs/dbraw/zinc/12/67/81/343126781.db2.gz FUQSZGPFANDDCW-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN CC1CCC(NC(N)=S)CC1 34971923 343126803 /nfs/dbraw/zinc/12/68/03/343126803.db2.gz XHUXUQGLXIHCJJ-UHFFFAOYSA-N 0 0 172.297 1.398 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(N)cn1 34962889 343126804 /nfs/dbraw/zinc/12/68/04/343126804.db2.gz IFQVBFOHNSCRHX-POYBYMJQSA-N 0 0 191.234 1.258 10 0 ADAERN CC(C)N(C)c1ccc(Cl)nn1 34973925 343126808 /nfs/dbraw/zinc/12/68/08/343126808.db2.gz ICLFLAKPSUIELZ-UHFFFAOYSA-N 0 0 185.658 1.975 10 0 ADAERN C=CC(=O)NC1CCC(C)CC1 35160107 343129222 /nfs/dbraw/zinc/12/92/22/343129222.db2.gz YDQWXJJYMGJMIM-UHFFFAOYSA-N 0 0 167.252 1.867 10 0 ADAERN CC(C)[C@@H](O)Cc1ccncc1 35272260 343130622 /nfs/dbraw/zinc/13/06/22/343130622.db2.gz PXAVDSFBNRBNDC-JTQLQIEISA-N 0 0 165.236 1.641 10 0 ADAERN C[C@H](O)CNc1cccc(N)c1 35600262 343133839 /nfs/dbraw/zinc/13/38/39/343133839.db2.gz CMPGZDPYJPHXQQ-ZETCQYMHSA-N 0 0 166.224 1.062 10 0 ADAERN C[C@H](CO)Nc1ccc(F)cc1N 35600414 343133864 /nfs/dbraw/zinc/13/38/64/343133864.db2.gz HNHLUJCJHWSJEM-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN CCC(=O)N1C[C@H](C)OCC1(C)C 36102276 343140597 /nfs/dbraw/zinc/14/05/97/343140597.db2.gz BRYQJROCLMYSIS-QMMMGPOBSA-N 0 0 185.267 1.422 10 0 ADAERN CC[C@H]1CCCN(C(N)=O)C1 36169409 343141114 /nfs/dbraw/zinc/14/11/14/343141114.db2.gz ASMFLXGMHSVKOX-ZETCQYMHSA-N 0 0 156.229 1.187 10 0 ADAERN CCCC(=O)c1ccc(N)c(N)c1 36197407 343141695 /nfs/dbraw/zinc/14/16/95/343141695.db2.gz QKADMSRJJMYFER-UHFFFAOYSA-N 0 0 178.235 1.834 10 0 ADAERN CCc1cc(O)ccc1OC 36202064 343141699 /nfs/dbraw/zinc/14/16/99/343141699.db2.gz YBHFXIXJNDNBQG-UHFFFAOYSA-N 0 0 152.193 1.963 10 0 ADAERN CC(C)OC(=O)c1ccc(N)c(O)c1 36221951 343141710 /nfs/dbraw/zinc/14/17/10/343141710.db2.gz PAUGLPBREMURNI-UHFFFAOYSA-N 0 0 195.218 1.540 10 0 ADAERN CCc1ccc2c(c1)C(=O)NCC2 36221924 343141731 /nfs/dbraw/zinc/14/17/31/343141731.db2.gz HVHXCXRXXAYDHA-UHFFFAOYSA-N 0 0 175.231 1.535 10 0 ADAERN Cc1ccn2ccnc2c1N 36244808 343142837 /nfs/dbraw/zinc/14/28/37/343142837.db2.gz XKJGCMLIGYNFRO-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN C=CC(=O)N(C)Cc1cccs1 36334664 343144528 /nfs/dbraw/zinc/14/45/28/343144528.db2.gz CWCCEJKXSDZVKE-UHFFFAOYSA-N 0 0 181.260 1.893 10 0 ADAERN CN(C(N)=S)C1CCCCCC1 36328373 343144529 /nfs/dbraw/zinc/14/45/29/343144529.db2.gz ITASMPDKKWVHER-UHFFFAOYSA-N 0 0 186.324 1.885 10 0 ADAERN OCc1cn(CC2CCCCC2)cn1 36372779 343144530 /nfs/dbraw/zinc/14/45/30/343144530.db2.gz GPMBCQCFKLFLCF-UHFFFAOYSA-N 0 0 194.278 1.956 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+]Cc1ccccn1 35748422 343138310 /nfs/dbraw/zinc/13/83/10/343138310.db2.gz ASARPRKPTVDYIV-MRVPVSSYSA-N 0 0 194.234 1.034 10 0 ADAERN C[C@H](Nc1cn[nH]c1)c1ccccn1 35763944 343138736 /nfs/dbraw/zinc/13/87/36/343138736.db2.gz SWUPIEZYBCJQAO-QMMMGPOBSA-N 0 0 188.234 1.978 10 0 ADAERN Cc1ccc(CNc2cn[nH]c2)o1 35764013 343138846 /nfs/dbraw/zinc/13/88/46/343138846.db2.gz DDNKGNLZIXONTP-UHFFFAOYSA-N 0 0 177.207 1.923 10 0 ADAERN Cc1ccc(C)n1[C@H](C)C(N)=O 35797163 343139843 /nfs/dbraw/zinc/13/98/43/343139843.db2.gz CUQGKAKTGOONAX-MRVPVSSYSA-N 0 0 166.224 1.151 10 0 ADAERN COC(=O)/C=C1\CCC[C@@H]1C 36458655 343145882 /nfs/dbraw/zinc/14/58/82/343145882.db2.gz DIWFHTIVTZYNQC-DGUDBNDOSA-N 0 0 154.209 1.906 10 0 ADAERN C[C@@H](O)C(=O)c1ccccc1Cl 36466706 343146350 /nfs/dbraw/zinc/14/63/50/343146350.db2.gz HCKFWJUNIITGLT-ZCFIWIBFSA-N 0 0 184.622 1.904 10 0 ADAERN O=C1NC(=O)[C@H](CC2CCCCC2)N1 36466942 343146367 /nfs/dbraw/zinc/14/63/67/343146367.db2.gz JLMOTEMRNVWPED-QMMMGPOBSA-N 0 0 196.250 1.165 10 0 ADAERN CCCCc1cn(C)c(=O)nc1NC 36459429 343146371 /nfs/dbraw/zinc/14/63/71/343146371.db2.gz OKTNRTTXTAHNLE-UHFFFAOYSA-N 0 0 195.266 1.165 10 0 ADAERN CONC(=O)C1CCCCC1 36466307 343146372 /nfs/dbraw/zinc/14/63/72/343146372.db2.gz FBEWUCGAHVJCLI-UHFFFAOYSA-N 0 0 157.213 1.244 10 0 ADAERN C[C@H](O)C(=O)c1ccccc1Cl 36466705 343146386 /nfs/dbraw/zinc/14/63/86/343146386.db2.gz HCKFWJUNIITGLT-LURJTMIESA-N 0 0 184.622 1.904 10 0 ADAERN CC[C@H](O)COC(C)(C)C 36466208 343146399 /nfs/dbraw/zinc/14/63/99/343146399.db2.gz QTXZTRIEQIRTAK-ZETCQYMHSA-N 0 0 146.230 1.572 10 0 ADAERN CCCN(C)c1c(N)c(C)nn1C 36749301 343148724 /nfs/dbraw/zinc/14/87/24/343148724.db2.gz SQFXJZLPTAEYCB-UHFFFAOYSA-N 0 0 182.271 1.157 10 0 ADAERN CC(C)NC(=O)Cn1cc[nH]c1=S 36781910 343150716 /nfs/dbraw/zinc/15/07/16/343150716.db2.gz CDHHFXCVWGVBHE-UHFFFAOYSA-N 0 0 199.279 1.070 10 0 ADAERN CN(c1n[nH]c(=S)n1C)C1CC1 36865680 343150991 /nfs/dbraw/zinc/15/09/91/343150991.db2.gz FCDHEKDUBKENDU-UHFFFAOYSA-N 0 0 184.268 1.076 10 0 ADAERN CCC(=O)Nc1c(C)cccc1N 36925456 343154594 /nfs/dbraw/zinc/15/45/94/343154594.db2.gz JBNZWQZQCBZRKN-UHFFFAOYSA-N 0 0 178.235 1.926 10 0 ADAERN Cc1c(CCc2ccco2)noc1N 36937166 343155397 /nfs/dbraw/zinc/15/53/97/343155397.db2.gz MDYFBLIASRYYQT-UHFFFAOYSA-N 0 0 192.218 1.943 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1cnn(C)c1 36944417 343155801 /nfs/dbraw/zinc/15/58/01/343155801.db2.gz OXGMVABBSBHMGI-POYBYMJQSA-N 0 0 164.208 1.259 10 0 ADAERN CCc1c(N)c(=O)n(C(C)(C)C)n1C 36947758 343155802 /nfs/dbraw/zinc/15/58/02/343155802.db2.gz TWQZKXSHVNXHSQ-UHFFFAOYSA-N 0 0 197.282 1.086 10 0 ADAERN Cc1nc(-c2ccc(F)cc2)n[nH]1 36960662 343156469 /nfs/dbraw/zinc/15/64/69/343156469.db2.gz DPAPPCHNMSSCMW-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN CCC(C)(C)N1C(=O)C=C(C)C1=O 36962533 343156546 /nfs/dbraw/zinc/15/65/46/343156546.db2.gz AYHBAKCGOVFRTE-UHFFFAOYSA-N 0 0 181.235 1.490 10 0 ADAERN CC[C@H](C)N(C)c1ccc(N)nc1 37109463 343159753 /nfs/dbraw/zinc/15/97/53/343159753.db2.gz DBIZKMWDKUMXNL-QMMMGPOBSA-N 0 0 179.267 1.899 10 0 ADAERN CCCN(C)c1ncccc1N 37097956 343159795 /nfs/dbraw/zinc/15/97/95/343159795.db2.gz PKSQKOCOUHUIJL-UHFFFAOYSA-N 0 0 165.240 1.510 10 0 ADAERN CCCN(C)C(=O)c1cccc(O)c1 37098749 343159801 /nfs/dbraw/zinc/15/98/01/343159801.db2.gz QINBMOTYQXVUFE-UHFFFAOYSA-N 0 0 193.246 1.874 10 0 ADAERN CCCN(C)c1ccc(N)cn1 37097960 343159848 /nfs/dbraw/zinc/15/98/48/343159848.db2.gz KXXPSLDMKYHDQZ-UHFFFAOYSA-N 0 0 165.240 1.510 10 0 ADAERN Cc1cccc(NC[C@H](C)C(N)=O)c1 37227070 343163101 /nfs/dbraw/zinc/16/31/01/343163101.db2.gz KFWIMMGUXHHCSN-VIFPVBQESA-N 0 0 192.262 1.528 10 0 ADAERN C[C@H](CNc1ccc(F)cc1)C(N)=O 37227312 343163334 /nfs/dbraw/zinc/16/33/34/343163334.db2.gz GPAZGFKCEWFFPV-SSDOTTSWSA-N 0 0 196.225 1.359 10 0 ADAERN CN(C)c1ccc(NCC2CC2)cn1 36989120 343157347 /nfs/dbraw/zinc/15/73/47/343157347.db2.gz MAILCAAFMCOCCF-UHFFFAOYSA-N 0 0 191.278 1.970 10 0 ADAERN Cc1nc(Cl)c2cnoc2n1 37037702 343157855 /nfs/dbraw/zinc/15/78/55/343157855.db2.gz COQYVRCQCRWEOQ-UHFFFAOYSA-N 0 0 169.571 1.580 10 0 ADAERN CC[C@H]1CCCCN1C(N)=S 37083299 343159146 /nfs/dbraw/zinc/15/91/46/343159146.db2.gz ZMYKINFVLUOWER-ZETCQYMHSA-N 0 0 172.297 1.495 10 0 ADAERN CC[C@@H]1CCCCN1C(N)=S 37083298 343159149 /nfs/dbraw/zinc/15/91/49/343159149.db2.gz ZMYKINFVLUOWER-SSDOTTSWSA-N 0 0 172.297 1.495 10 0 ADAERN CCCCOCCC(=O)OCC 37093077 343159193 /nfs/dbraw/zinc/15/91/93/343159193.db2.gz GIRSHSVIZQASRJ-UHFFFAOYSA-N 0 0 174.240 1.756 10 0 ADAERN C[C@H](C(=O)[O-])[N@H+](C)C1CCCC1 37092950 343159226 /nfs/dbraw/zinc/15/92/26/343159226.db2.gz IUYZJPXOXGRNNE-SSDOTTSWSA-N 0 0 171.240 1.334 10 0 ADAERN Cc1ccc(F)cc1N1CCC(=O)C1 37240040 343163868 /nfs/dbraw/zinc/16/38/68/343163868.db2.gz FWZBBRMOGXZRFE-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN CC1CCC(N2CCC(=O)C2)CC1 37240044 343163871 /nfs/dbraw/zinc/16/38/71/343163871.db2.gz PFHXZVVMRBOCJX-UHFFFAOYSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H]1CCC[C@H](N2C(=O)C=CC2=O)C1 37255928 343164171 /nfs/dbraw/zinc/16/41/71/343164171.db2.gz BEAZZTXOQAHNIM-IUCAKERBSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@H]1CCC[C@@H](N2C(=O)C=CC2=O)C1 37255932 343164455 /nfs/dbraw/zinc/16/44/55/343164455.db2.gz BEAZZTXOQAHNIM-DTWKUNHWSA-N 0 0 193.246 1.490 10 0 ADAERN CC1(C)CN([C@@H]2CCCC2=O)CCO1 37339864 343165755 /nfs/dbraw/zinc/16/57/55/343165755.db2.gz NRQUMHHDOKPOIE-SECBINFHSA-N 0 0 197.278 1.219 10 0 ADAERN COCC(=O)c1ccc(OC)c(F)c1 37346637 343165846 /nfs/dbraw/zinc/16/58/46/343165846.db2.gz XRZXAGXMMYXHBF-UHFFFAOYSA-N 0 0 198.193 1.663 10 0 ADAERN CC(=O)[C@H](C)N1C[C@@H](C)OC[C@H]1C 37338030 343165850 /nfs/dbraw/zinc/16/58/50/343165850.db2.gz UCYZETHZHCTOHL-HLTSFMKQSA-N 0 0 185.267 1.073 10 0 ADAERN Cc1cc(=O)[nH]c(-c2ccco2)n1 37409049 343168274 /nfs/dbraw/zinc/16/82/74/343168274.db2.gz LFFWDLZRHGLOBO-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN CC(C)[C@H](C)Nc1ccn(C)n1 37471884 343170113 /nfs/dbraw/zinc/17/01/13/343170113.db2.gz GJHAKCFLGPTUIS-QMMMGPOBSA-N 0 0 167.256 1.877 10 0 ADAERN CC(C)[C@H](C)N1CCC(=O)C1 37240103 343163829 /nfs/dbraw/zinc/16/38/29/343163829.db2.gz ISXPTOIJKGZSEE-QMMMGPOBSA-N 0 0 155.241 1.306 10 0 ADAERN C[C@H]1CCCC[C@@H]1N1CCC(=O)C1 37240028 343163847 /nfs/dbraw/zinc/16/38/47/343163847.db2.gz HZAVWQLZSHIOTK-ONGXEEELSA-N 0 0 181.279 1.840 10 0 ADAERN Cc1ncc(CNc2cn[nH]c2)s1 37797179 343178409 /nfs/dbraw/zinc/17/84/09/343178409.db2.gz IODAXEUSHDOCGT-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CC(C)[C@@H](C)Nc1ccc(=O)n(C)c1 37785369 343178560 /nfs/dbraw/zinc/17/85/60/343178560.db2.gz MHDUWYIJJYATEJ-SECBINFHSA-N 0 0 194.278 1.842 10 0 ADAERN Cc1nn(C)c(N2CCC[C@H]2C)c1N 37910174 343180215 /nfs/dbraw/zinc/18/02/15/343180215.db2.gz NDGATDIEHNQNGY-SSDOTTSWSA-N 0 0 194.282 1.299 10 0 ADAERN CC[C@H](O)CN1CCc2ccccc21 37693743 343175081 /nfs/dbraw/zinc/17/50/81/343175081.db2.gz VOZKVQSKLCITRK-NSHDSACASA-N 0 0 191.274 1.820 10 0 ADAERN Cc1cccc(NCc2nc[nH]n2)n1 37919949 343181444 /nfs/dbraw/zinc/18/14/44/343181444.db2.gz HIKHFXIMIQPBBF-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1noc(C)c1-c1noc(Cl)n1 37926861 343181962 /nfs/dbraw/zinc/18/19/62/343181962.db2.gz WXWHXHCLTLUBGO-UHFFFAOYSA-N 0 0 199.597 1.995 10 0 ADAERN CCOC(=O)C(C)(C)NCC(C)C 37966081 343182439 /nfs/dbraw/zinc/18/24/39/343182439.db2.gz VPQGYRYLLDAJIP-UHFFFAOYSA-N 0 0 187.283 1.574 10 0 ADAERN CSCC(=O)Nc1cccc(N)c1 38063513 343184143 /nfs/dbraw/zinc/18/41/43/343184143.db2.gz KVYLVDQQHKOLHW-UHFFFAOYSA-N 0 0 196.275 1.570 10 0 ADAERN Cc1cc(N)ccc1-c1cnn(C)c1 38069388 343184147 /nfs/dbraw/zinc/18/41/47/343184147.db2.gz XZYPOHAJFLXHDI-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC[C@@H](O)CSC 38063917 343184167 /nfs/dbraw/zinc/18/41/67/343184167.db2.gz XSBOTEFGNXKFPP-RXMQYKEDSA-N 0 0 120.217 1.120 10 0 ADAERN C[C@H](CO)Nc1ccccc1F 38119969 343184909 /nfs/dbraw/zinc/18/49/09/343184909.db2.gz MEHDMDKNRUCJSK-SSDOTTSWSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@H](Nc1cccnc1)c1cc[nH]n1 37906333 343180245 /nfs/dbraw/zinc/18/02/45/343180245.db2.gz NRPOUOSTLQHWKU-QMMMGPOBSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@H]1CCCN1c1ccc(N)cn1 37910202 343180250 /nfs/dbraw/zinc/18/02/50/343180250.db2.gz SFCONMAHTSDOCD-QMMMGPOBSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@H](C[N@@H+]1CCC[C@H]1C)C(=O)[O-] 37911376 343180513 /nfs/dbraw/zinc/18/05/13/343180513.db2.gz QAHLMMMEPPTBPM-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CCCN1c1n[nH]c(=S)n1C 37911933 343181004 /nfs/dbraw/zinc/18/10/04/343181004.db2.gz PPFXCWPTRCYTGB-LURJTMIESA-N 0 0 198.295 1.466 10 0 ADAERN COC(=O)C(C)(C)[C@H](O)C(C)C 38312362 343186993 /nfs/dbraw/zinc/18/69/93/343186993.db2.gz SDBXRSQBXAOFRK-SSDOTTSWSA-N 0 0 174.240 1.203 10 0 ADAERN CCOC(=O)C1=CCC[C@@H]1OC(C)=O 38293099 343186995 /nfs/dbraw/zinc/18/69/95/343186995.db2.gz ZRBIIJNQSLHRAQ-VIFPVBQESA-N 0 0 198.218 1.201 10 0 ADAERN CC1=CCC[C@]1(C)CO 38338302 343187346 /nfs/dbraw/zinc/18/73/46/343187346.db2.gz SUWPOVXFDYDYBY-MRVPVSSYSA-N 0 0 126.199 1.725 10 0 ADAERN O[C@@H]1OC2C[C@@H]3CC1C[C@H](C2)C3 38363101 343187797 /nfs/dbraw/zinc/18/77/97/343187797.db2.gz AWGBZJCTZNLZQX-DJAYFPKFSA-N 0 0 168.236 1.530 10 0 ADAERN COc1cc(F)cc(C=O)c1F 38363150 343187812 /nfs/dbraw/zinc/18/78/12/343187812.db2.gz MNPCCOVNFXDRDA-UHFFFAOYSA-N 0 0 172.130 1.786 10 0 ADAERN O[C@H]1OC2C[C@@H]3CC1C[C@H](C2)C3 38363099 343187829 /nfs/dbraw/zinc/18/78/29/343187829.db2.gz AWGBZJCTZNLZQX-JKSRKLNQSA-N 0 0 168.236 1.530 10 0 ADAERN Cc1cnc2ncn(C)c2c1 38415788 343188309 /nfs/dbraw/zinc/18/83/09/343188309.db2.gz PFGCYOCTAHXESD-UHFFFAOYSA-N 0 0 147.181 1.277 10 0 ADAERN CCc1ccc2c(c1)NC(=O)C2 38409864 343188355 /nfs/dbraw/zinc/18/83/55/343188355.db2.gz PXYBCLBUOUHNHA-UHFFFAOYSA-N 0 0 161.204 1.744 10 0 ADAERN Cc1c(O)nc(C2CCCC2)[nH]c1=O 38457989 343188626 /nfs/dbraw/zinc/18/86/26/343188626.db2.gz WJXCHDDOPIFDRM-UHFFFAOYSA-N 0 0 194.234 1.442 10 0 ADAERN CCc1cccc2c1OC(=O)C2 38522825 343188699 /nfs/dbraw/zinc/18/86/99/343188699.db2.gz ZMDLLRHETGQDHW-UHFFFAOYSA-N 0 0 162.188 1.711 10 0 ADAERN COC(=O)/C=C/NCc1ccccc1 38523613 343188749 /nfs/dbraw/zinc/18/87/49/343188749.db2.gz IADOKSUKWXGOJX-BQYQJAHWSA-N 0 0 191.230 1.463 10 0 ADAERN Cc1ncsc1CCO[N+](=O)[O-] 38482186 343188754 /nfs/dbraw/zinc/18/87/54/343188754.db2.gz SPXXSCWWBQGVLL-UHFFFAOYSA-N 0 0 188.208 1.202 10 0 ADAERN O=Cc1ccccc1CF 38665151 343190049 /nfs/dbraw/zinc/19/00/49/343190049.db2.gz ICHYJYHEPOAXNU-UHFFFAOYSA-N 0 0 138.141 1.969 10 0 ADAERN C[C@H](C=O)COC(=O)c1ccccc1 38234928 343186014 /nfs/dbraw/zinc/18/60/14/343186014.db2.gz VYLBDMJHHXPDKJ-SECBINFHSA-N 0 0 192.214 1.678 10 0 ADAERN CC(=O)[C@@](C)(O)COc1ccccc1 38220888 343186073 /nfs/dbraw/zinc/18/60/73/343186073.db2.gz VXVKFKSOGKOLOU-NSHDSACASA-N 0 0 194.230 1.405 10 0 ADAERN C[C@H](O)/C=C/c1ccco1 38233883 343186076 /nfs/dbraw/zinc/18/60/76/343186076.db2.gz YAOCGHWLTAALFS-KPJROHGDSA-N 0 0 138.166 1.674 10 0 ADAERN CC(=O)[C@](C)(O)COc1ccccc1 38220887 343186078 /nfs/dbraw/zinc/18/60/78/343186078.db2.gz VXVKFKSOGKOLOU-LLVKDONJSA-N 0 0 194.230 1.405 10 0 ADAERN COC(=O)/C=C\C1CCCC1 38246819 343186081 /nfs/dbraw/zinc/18/60/81/343186081.db2.gz DKBNVGOWHNOALZ-SREVYHEPSA-N 0 0 154.209 1.906 10 0 ADAERN C[C@@H](C=O)COC(=O)c1ccccc1 38234930 343186083 /nfs/dbraw/zinc/18/60/83/343186083.db2.gz VYLBDMJHHXPDKJ-VIFPVBQESA-N 0 0 192.214 1.678 10 0 ADAERN CC(C)=CCC[C@H](C)[C@H](O)CO 38234343 343186093 /nfs/dbraw/zinc/18/60/93/343186093.db2.gz YQXHFURSJJKJQK-VHSXEESVSA-N 0 0 172.268 1.722 10 0 ADAERN CCc1nc(N)n(-c2ccccc2)n1 38246891 343186094 /nfs/dbraw/zinc/18/60/94/343186094.db2.gz FHFDNCOWODXRHT-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN O=COC1C2CC3CC(C2)CC1C3 38246869 343186096 /nfs/dbraw/zinc/18/60/96/343186096.db2.gz QSPVQWMKPTVXKW-UHFFFAOYSA-N 0 0 180.247 1.984 10 0 ADAERN O=C1N[C@@H]2CCCN2c2ccccc21 38266383 343186129 /nfs/dbraw/zinc/18/61/29/343186129.db2.gz AYGXSOYEFAVVFU-JTQLQIEISA-N 0 0 188.230 1.356 10 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0 173.219 1.696 10 0 ADAERN Cc1nc2ccc(=O)cc-2[nH]c1C 39134327 343203868 /nfs/dbraw/zinc/20/38/68/343203868.db2.gz WPEXIPNDKDKUGH-UHFFFAOYSA-N 0 0 174.203 1.952 10 0 ADAERN Cc1cc2ncc[n+]([O-])c2cc1C 39134316 343203871 /nfs/dbraw/zinc/20/38/71/343203871.db2.gz BDIRETRSXFLAQO-UHFFFAOYSA-N 0 0 174.203 1.485 10 0 ADAERN Cc1c(N)ccc2c1C[C@@H](C)O2 39136120 343204212 /nfs/dbraw/zinc/20/42/12/343204212.db2.gz JBGJYVWXPDNZJW-ZCFIWIBFSA-N 0 0 163.220 1.901 10 0 ADAERN Cc1cc2c(cc1O)CC(=O)O2 39136384 343204213 /nfs/dbraw/zinc/20/42/13/343204213.db2.gz WJCNGMOBLTZNLD-UHFFFAOYSA-N 0 0 164.160 1.162 10 0 ADAERN Cc1ccc([C@@H](C)NO)o1 39147413 343204890 /nfs/dbraw/zinc/20/48/90/343204890.db2.gz OEUKYQKKBQMYLV-ZCFIWIBFSA-N 0 0 141.170 1.628 10 0 ADAERN O=C1CCCCCCCN1CCCO 39169078 343205183 /nfs/dbraw/zinc/20/51/83/343205183.db2.gz COIUMYITHOUIEG-UHFFFAOYSA-N 0 0 199.294 1.552 10 0 ADAERN C=C=CC[C@H](C)O 39204484 343206078 /nfs/dbraw/zinc/20/60/78/343206078.db2.gz ULWHIJPQJSCLAV-LURJTMIESA-N 0 0 98.145 1.098 10 0 ADAERN Cc1ccc2c(n1)[C@H](O)CCC2 39205461 343206091 /nfs/dbraw/zinc/20/60/91/343206091.db2.gz XZXFPXRTQDBCKK-SECBINFHSA-N 0 0 163.220 1.760 10 0 ADAERN CC1=N[C@@H](c2ccccc2)C(=O)O1 39209768 343206096 /nfs/dbraw/zinc/20/60/96/343206096.db2.gz WSDRTVVFOYBPBO-VIFPVBQESA-N 0 0 175.187 1.703 10 0 ADAERN CC1=N[C@H](c2ccccc2)C(=O)O1 39209767 343206098 /nfs/dbraw/zinc/20/60/98/343206098.db2.gz WSDRTVVFOYBPBO-SECBINFHSA-N 0 0 175.187 1.703 10 0 ADAERN CC(C)(C)C(=O)C(C)(C)O 39205838 343206149 /nfs/dbraw/zinc/20/61/49/343206149.db2.gz OZYZMDZCGQDZQN-UHFFFAOYSA-N 0 0 144.214 1.373 10 0 ADAERN C/C=C/n1ccnc1 39204802 343206157 /nfs/dbraw/zinc/20/61/57/343206157.db2.gz HQLVRJJDJGNYQW-DUXPYHPUSA-N 0 0 108.144 1.374 10 0 ADAERN O=C1C2C[C@@H]3C[C@H](C2)CC1(CO)C3 39209765 343206162 /nfs/dbraw/zinc/20/61/62/343206162.db2.gz MXOWSXDISLKPCG-REMFIFCHSA-N 0 0 180.247 1.374 10 0 ADAERN CC[C@@H](O)c1ccccc1N 39215794 343206509 /nfs/dbraw/zinc/20/65/09/343206509.db2.gz IFIDGPUHWCUADA-SECBINFHSA-N 0 0 151.209 1.712 10 0 ADAERN CC(C)[C@H]1CCOC(=O)C1 39275083 343209358 /nfs/dbraw/zinc/20/93/58/343209358.db2.gz YQBZIFFQEPWLLH-ZETCQYMHSA-N 0 0 142.198 1.596 10 0 ADAERN COC(=O)[C@H](OC)c1ccc(O)cc1 39271500 343209394 /nfs/dbraw/zinc/20/93/94/343209394.db2.gz WJIJOJKHXJLXHS-SECBINFHSA-N 0 0 196.202 1.253 10 0 ADAERN Cc1ccc2c(c1)C(=O)CC[S@]2=O 39270926 343209424 /nfs/dbraw/zinc/20/94/24/343209424.db2.gz SNEBBWNOTIREQE-ZDUSSCGKSA-N 0 0 194.255 1.689 10 0 ADAERN CC1COC(C)(C)OC1 39271324 343209425 /nfs/dbraw/zinc/20/94/25/343209425.db2.gz LSEVJUQNMUCFKW-UHFFFAOYSA-N 0 0 130.187 1.405 10 0 ADAERN CS[C@@H]1CCCC[C@@H]1NC(C)=O 39283041 343209740 /nfs/dbraw/zinc/20/97/40/343209740.db2.gz UBDNCFITBKMKGC-DTWKUNHWSA-N 0 0 187.308 1.797 10 0 ADAERN COC(=O)CC[C@@H](C)C(C)=O 39277563 343209746 /nfs/dbraw/zinc/20/97/46/343209746.db2.gz UJMJKQQDZAISMS-ZCFIWIBFSA-N 0 0 158.197 1.165 10 0 ADAERN CCCCN1C(=O)[C@@H](C)N(C)C1=O 39282352 343209748 /nfs/dbraw/zinc/20/97/48/343209748.db2.gz RJHAISZYFMVDRX-SSDOTTSWSA-N 0 0 184.239 1.069 10 0 ADAERN CS[C@H]1CCCC[C@H]1NC(C)=O 39283038 343209757 /nfs/dbraw/zinc/20/97/57/343209757.db2.gz UBDNCFITBKMKGC-BDAKNGLRSA-N 0 0 187.308 1.797 10 0 ADAERN CC[C@](O)(C(=O)OC)c1ccccc1 39283571 343209766 /nfs/dbraw/zinc/20/97/66/343209766.db2.gz UBRWRMHONGHPLV-LLVKDONJSA-N 0 0 194.230 1.457 10 0 ADAERN CC[C@@](O)(C(=O)OC)c1ccccc1 39283572 343209779 /nfs/dbraw/zinc/20/97/79/343209779.db2.gz UBRWRMHONGHPLV-NSHDSACASA-N 0 0 194.230 1.457 10 0 ADAERN CS[C@H]1CCCC[C@@H]1NC(C)=O 39283039 343209781 /nfs/dbraw/zinc/20/97/81/343209781.db2.gz UBDNCFITBKMKGC-IUCAKERBSA-N 0 0 187.308 1.797 10 0 ADAERN C[C@H](O)c1c[nH]c2ncccc12 39284579 343209792 /nfs/dbraw/zinc/20/97/92/343209792.db2.gz BKLPKEURLMGHMJ-LURJTMIESA-N 0 0 162.192 1.616 10 0 ADAERN Cc1cnc(N(C)C)s1 39277917 343209802 /nfs/dbraw/zinc/20/98/02/343209802.db2.gz PJAOORCTPZQZPX-UHFFFAOYSA-N 0 0 142.227 1.518 10 0 ADAERN Cc1cccc2c(C=O)cc(=O)[nH]c12 39280936 343209810 /nfs/dbraw/zinc/20/98/10/343209810.db2.gz LISGDRHPGOMKNA-UHFFFAOYSA-N 0 0 187.198 1.649 10 0 ADAERN Cc1cccc2c(=O)cc(C=O)[nH]c12 39280922 343209816 /nfs/dbraw/zinc/20/98/16/343209816.db2.gz VKNSDOCQSSZTOX-UHFFFAOYSA-N 0 0 187.198 1.649 10 0 ADAERN CCOC(=O)/C=C1\CCCN1C 39279577 343209825 /nfs/dbraw/zinc/20/98/25/343209825.db2.gz QMHAPDFFWOZVTP-BQYQJAHWSA-N 0 0 169.224 1.159 10 0 ADAERN Cc1ccc2nc(C)cc(=O)n2c1 39215560 343206522 /nfs/dbraw/zinc/20/65/22/343206522.db2.gz NBRCRMBWFGSCCI-UHFFFAOYSA-N 0 0 174.203 1.311 10 0 ADAERN CC(C)N(CCO)c1ccccc1 39212164 343206532 /nfs/dbraw/zinc/20/65/32/343206532.db2.gz HVSUEAYSRNFJOI-UHFFFAOYSA-N 0 0 179.263 1.894 10 0 ADAERN CC(=O)N[C@H](c1ccccc1)[C@H](C)O 39212918 343206533 /nfs/dbraw/zinc/20/65/33/343206533.db2.gz FUDNAMMJDQJOFM-KWQFWETISA-N 0 0 193.246 1.245 10 0 ADAERN Cc1cnc2c(c1)CCCC2=O 39213572 343206537 /nfs/dbraw/zinc/20/65/37/343206537.db2.gz FCKYCRULBQMBEG-UHFFFAOYSA-N 0 0 161.204 1.909 10 0 ADAERN Cn1cncc1C(C)(C)C 39213900 343206545 /nfs/dbraw/zinc/20/65/45/343206545.db2.gz HBNFTPQDBXDTAH-UHFFFAOYSA-N 0 0 138.214 1.718 10 0 ADAERN CN1c2ccccc2CC[C@@H]1CO 39224172 343206801 /nfs/dbraw/zinc/20/68/01/343206801.db2.gz RLRZFCLKFGBQJI-SNVBAGLBSA-N 0 0 177.247 1.430 10 0 ADAERN CC(C)(C)[C@H](O)[C@H](O)C(C)(C)C 39221827 343206838 /nfs/dbraw/zinc/20/68/38/343206838.db2.gz AVZDCZIXVMGOQQ-OCAPTIKFSA-N 0 0 174.284 1.800 10 0 ADAERN C[NH+](C)[C@H]1CCCC[C@H]1C(=O)[O-] 39240229 343207470 /nfs/dbraw/zinc/20/74/70/343207470.db2.gz VITILTIBJJVWHS-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CCCC[C@H](CO)CCO 39239408 343207534 /nfs/dbraw/zinc/20/75/34/343207534.db2.gz YIEIFUSLOJKTEE-QMMMGPOBSA-N 0 0 146.230 1.168 10 0 ADAERN C=CCC[C@@H](C)C(=O)N(C)C 39239617 343207538 /nfs/dbraw/zinc/20/75/38/343207538.db2.gz LVKGDWMERCMVGD-MRVPVSSYSA-N 0 0 155.241 1.677 10 0 ADAERN C[NH+](C)[C@H]1CCCC[C@@H]1C(=O)[O-] 39240227 343207540 /nfs/dbraw/zinc/20/75/40/343207540.db2.gz VITILTIBJJVWHS-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN C/C=C/[C@@H]1CCCO1 39239384 343207546 /nfs/dbraw/zinc/20/75/46/343207546.db2.gz PRSWGPVREYKEKE-NUOXCJHRSA-N 0 0 112.172 1.742 10 0 ADAERN C/C=C/[C@H]1CCCO1 39239385 343207547 /nfs/dbraw/zinc/20/75/47/343207547.db2.gz PRSWGPVREYKEKE-XBBYQOBLSA-N 0 0 112.172 1.742 10 0 ADAERN C=CCC[C@H](C)C(=O)N(C)C 39239616 343207554 /nfs/dbraw/zinc/20/75/54/343207554.db2.gz LVKGDWMERCMVGD-QMMMGPOBSA-N 0 0 155.241 1.677 10 0 ADAERN CCC[C@H]1CCOC1 39239419 343207555 /nfs/dbraw/zinc/20/75/55/343207555.db2.gz LIVHIUATGMRPFU-ZETCQYMHSA-N 0 0 114.188 1.823 10 0 ADAERN Cc1cc(-c2cc[nH]n2)ccn1 39259849 343208940 /nfs/dbraw/zinc/20/89/40/343208940.db2.gz RWPJMZNMAGGROG-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CC(C)[C@@H](O)[C@@H]1CCCC1=O 39268167 343209016 /nfs/dbraw/zinc/20/90/16/343209016.db2.gz GTYPOUODBBCXDG-VXNVDRBHSA-N 0 0 156.225 1.373 10 0 ADAERN CCCC[C@@H]1COC(=O)C1 39276468 343209348 /nfs/dbraw/zinc/20/93/48/343209348.db2.gz WJPRNDJHASWDLE-ZETCQYMHSA-N 0 0 142.198 1.740 10 0 in-vitro ADAERN CCCC1(CCC)NC(=N)N(C)C1=O 39952010 343214364 /nfs/dbraw/zinc/21/43/64/343214364.db2.gz PFJZOGYFCCBYGL-UHFFFAOYSA-N 0 0 197.282 1.322 10 0 ADAERN CC(C)c1cc(N)ccc1N 39953798 343214366 /nfs/dbraw/zinc/21/43/66/343214366.db2.gz WNYJRJRHKRZXEO-UHFFFAOYSA-N 0 0 150.225 1.974 10 0 ADAERN C[C@H](CCCc1ccccc1)NN 39321481 343210927 /nfs/dbraw/zinc/21/09/27/343210927.db2.gz GEDSOQMESIYDQX-SNVBAGLBSA-N 0 0 178.279 1.861 10 0 ADAERN CSc1ccc2c(c1)C(=O)CO2 39369816 343211122 /nfs/dbraw/zinc/21/11/22/343211122.db2.gz GFPLENUCZQNTNE-UHFFFAOYSA-N 0 0 180.228 1.984 10 0 ADAERN O=C1[C@H]2C=CC[C@H]2C1(Cl)Cl 39343143 343211257 /nfs/dbraw/zinc/21/12/57/343211257.db2.gz XVWQLXKSVCMLBE-CRCLSJGQSA-N 0 0 177.030 1.935 10 0 ADAERN CN(N)c1nc2ccccc2o1 39349586 343211344 /nfs/dbraw/zinc/21/13/44/343211344.db2.gz PMUBQBXXYTYLKZ-UHFFFAOYSA-N 0 0 163.180 1.138 10 0 ADAERN C[C@@]1(CO)CC1(Cl)Cl 39372763 343211595 /nfs/dbraw/zinc/21/15/95/343211595.db2.gz ZHLBVFATSVKTKF-BYPYZUCNSA-N 0 0 155.024 1.563 10 0 ADAERN Cc1cccc2c1OC[C@H]2O 39369820 343211662 /nfs/dbraw/zinc/21/16/62/343211662.db2.gz RBAVSUBZHQSDOZ-MRVPVSSYSA-N 0 0 150.177 1.421 10 0 ADAERN Cc1ccc2c(c1)OC[C@@H]2O 39369822 343211668 /nfs/dbraw/zinc/21/16/68/343211668.db2.gz LWTQPIQKZIOJGK-QMMMGPOBSA-N 0 0 150.177 1.421 10 0 ADAERN CC[C@](O)(CO)c1ccccc1 39436759 343213004 /nfs/dbraw/zinc/21/30/04/343213004.db2.gz SNCPNGLMZQUXGY-JTQLQIEISA-N 0 0 166.220 1.277 10 0 ADAERN CO[C@H](C)c1[nH]c(=O)ccc1C 39651048 343213780 /nfs/dbraw/zinc/21/37/80/343213780.db2.gz HQBWAENWYRGIAW-SSDOTTSWSA-N 0 0 167.208 1.391 10 0 ADAERN CCc1nnc(-c2ccco2)[nH]1 40175793 343215796 /nfs/dbraw/zinc/21/57/96/343215796.db2.gz OKKPKVIRMFPGIU-UHFFFAOYSA-N 0 0 163.180 1.627 10 0 ADAERN CC(C)c1nc(-c2ccncc2)n[nH]1 40175769 343215896 /nfs/dbraw/zinc/21/58/96/343215896.db2.gz BZOWMMMXOSFRCW-UHFFFAOYSA-N 0 0 188.234 1.990 10 0 ADAERN CC[C@@H](O)c1ccc2c(c1)CC(=O)N2 40255143 343216134 /nfs/dbraw/zinc/21/61/34/343216134.db2.gz ZNXVEFJYEKQXDX-SNVBAGLBSA-N 0 0 191.230 1.625 10 0 ADAERN CC[C@@H]1CCCN1c1ncc(N)cn1 40455870 343219027 /nfs/dbraw/zinc/21/90/27/343219027.db2.gz ZZPHCNBJOLSVCS-SECBINFHSA-N 0 0 192.266 1.438 10 0 ADAERN Cc1cnc(C)c(Br)n1 40571353 343220129 /nfs/dbraw/zinc/22/01/29/343220129.db2.gz ALVHJZLIKBDYRL-UHFFFAOYSA-N 0 0 187.040 1.856 10 0 ADAERN Cc1nn(C(F)F)c(C)c1C=O 40544254 343220140 /nfs/dbraw/zinc/22/01/40/343220140.db2.gz MBFQDXUUNRXCJE-UHFFFAOYSA-N 0 0 174.150 1.708 10 0 ADAERN CCCCC(=O)N1[C@@H](C)COC[C@@H]1C 40634427 343220880 /nfs/dbraw/zinc/22/08/80/343220880.db2.gz FXMDSICGLKXQDE-UWVGGRQHSA-N 0 0 199.294 1.812 10 0 ADAERN Cc1c[nH]c(-c2cccnc2)n1 40710682 343221117 /nfs/dbraw/zinc/22/11/17/343221117.db2.gz WGYUEZQGJJLCKF-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C1 40718632 343221539 /nfs/dbraw/zinc/22/15/39/343221539.db2.gz QKODGWHJBHEZPS-BDAKNGLRSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H]1CCN(CC(=O)c2ccco2)C1 40719138 343221952 /nfs/dbraw/zinc/22/19/52/343221952.db2.gz ZEHZMGWPBACWHO-VIFPVBQESA-N 0 0 193.246 1.804 10 0 ADAERN Cc1nn(C)c(N2CC[C@@H](C)C2)c1N 40717777 343221960 /nfs/dbraw/zinc/22/19/60/343221960.db2.gz MLHHNYZWYZRRGV-SSDOTTSWSA-N 0 0 194.282 1.157 10 0 ADAERN Cc1nn(CCC(N)=S)c(C)c1C 40730179 343222876 /nfs/dbraw/zinc/22/28/76/343222876.db2.gz BCBDEUNWKFALJB-UHFFFAOYSA-N 0 0 197.307 1.485 10 0 ADAERN CCc1cc(NC)ncn1 40765002 343223224 /nfs/dbraw/zinc/22/32/24/343223224.db2.gz HHTIVUKTENHNBG-UHFFFAOYSA-N 0 0 137.186 1.081 10 0 ADAERN CCCNC(=O)c1cc(C)nn1CC 40770549 343223228 /nfs/dbraw/zinc/22/32/28/343223228.db2.gz TUMRKJSOAKITDT-UHFFFAOYSA-N 0 0 195.266 1.351 10 0 ADAERN CCn1nc(-c2ccco2)cc1N 41043639 343226136 /nfs/dbraw/zinc/22/61/36/343226136.db2.gz WLDNGNADMDZERJ-UHFFFAOYSA-N 0 0 177.207 1.745 10 0 ADAERN Cc1nc(C)n(CC(=O)C(C)(C)C)n1 41042364 343226139 /nfs/dbraw/zinc/22/61/39/343226139.db2.gz CLRIVFHSGMKBKS-UHFFFAOYSA-N 0 0 195.266 1.510 10 0 ADAERN CCCCNc1ccncn1 40862934 343223558 /nfs/dbraw/zinc/22/35/58/343223558.db2.gz WNIZUFZJTRSKRR-UHFFFAOYSA-N 0 0 151.213 1.689 10 0 ADAERN C[C@@H]1CCN(c2ccc(CO)cn2)C1 40879367 343223561 /nfs/dbraw/zinc/22/35/61/343223561.db2.gz ZJIGBYDGOOQUBM-SECBINFHSA-N 0 0 192.262 1.420 10 0 ADAERN Cc1nccn1-c1ccc(CO)cn1 40879609 343223565 /nfs/dbraw/zinc/22/35/65/343223565.db2.gz VRQIQMWHZVJYKN-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CN(C)c1ccc(Cl)c(CO)n1 40864839 343223569 /nfs/dbraw/zinc/22/35/69/343223569.db2.gz LCQKELGQFUDUBC-UHFFFAOYSA-N 0 0 186.642 1.293 10 0 ADAERN C[C@H]1CCN(c2ccc(CO)cn2)C1 40879371 343223574 /nfs/dbraw/zinc/22/35/74/343223574.db2.gz ZJIGBYDGOOQUBM-VIFPVBQESA-N 0 0 192.262 1.420 10 0 ADAERN Cc1cc(C)c(CO)c(OC(C)C)n1 40883472 343223578 /nfs/dbraw/zinc/22/35/78/343223578.db2.gz HXVPMFPGIDRFAL-UHFFFAOYSA-N 0 0 195.262 1.978 10 0 ADAERN CC(C)N(C)c1cc(CO)ccn1 40864540 343223581 /nfs/dbraw/zinc/22/35/81/343223581.db2.gz UFLLNGZDRGGELY-UHFFFAOYSA-N 0 0 180.251 1.419 10 0 ADAERN CC(C)Nc1ccncn1 40862873 343223584 /nfs/dbraw/zinc/22/35/84/343223584.db2.gz ONZPESXXVCIPSY-UHFFFAOYSA-N 0 0 137.186 1.297 10 0 ADAERN C[C@@H]1CCN(c2ncccc2CO)C1 40879332 343223593 /nfs/dbraw/zinc/22/35/93/343223593.db2.gz XLAQEVHADFDUEB-SECBINFHSA-N 0 0 192.262 1.420 10 0 ADAERN C[C@H](Nc1ccncn1)C1CC1 40863106 343223595 /nfs/dbraw/zinc/22/35/95/343223595.db2.gz SKRBZLLVPFOJKQ-ZETCQYMHSA-N 0 0 163.224 1.687 10 0 ADAERN CC(C)[C@@H](C)Nc1ccncn1 40863035 343223598 /nfs/dbraw/zinc/22/35/98/343223598.db2.gz SDHJDSYURIEZQR-MRVPVSSYSA-N 0 0 165.240 1.933 10 0 ADAERN Cc1n[nH]cc1CNc1ccncn1 40863256 343223600 /nfs/dbraw/zinc/22/36/00/343223600.db2.gz OSSHAYHPSLOFTF-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1cnn(-c2ncccc2CO)c1 40879699 343223602 /nfs/dbraw/zinc/22/36/02/343223602.db2.gz FGZVPWUPIAKFOD-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN Cc1cnn(-c2ccc(CO)cn2)c1 40879716 343223605 /nfs/dbraw/zinc/22/36/05/343223605.db2.gz HXMVXTSZDKLVFM-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CN(c1ccc(CO)cn1)C1CC1 40877117 343223606 /nfs/dbraw/zinc/22/36/06/343223606.db2.gz NKSMEXNSCCVOSS-UHFFFAOYSA-N 0 0 178.235 1.173 10 0 ADAERN Oc1ccc(Oc2ccncn2)cc1 40863585 343223616 /nfs/dbraw/zinc/22/36/16/343223616.db2.gz RPTBTAUEQNJCCX-UHFFFAOYSA-N 0 0 188.186 1.975 10 0 ADAERN CC(C)N(C)c1ccc(CO)cn1 40864534 343223621 /nfs/dbraw/zinc/22/36/21/343223621.db2.gz PIGRQXHFPJHONZ-UHFFFAOYSA-N 0 0 180.251 1.419 10 0 ADAERN C[C@H]1CCN(c2ncccc2CO)C1 40879336 343223623 /nfs/dbraw/zinc/22/36/23/343223623.db2.gz XLAQEVHADFDUEB-VIFPVBQESA-N 0 0 192.262 1.420 10 0 ADAERN C[C@H](Nc1ccncn1)[C@H]1CCCO1 40863114 343223625 /nfs/dbraw/zinc/22/36/25/343223625.db2.gz IQMPMJTXKHZWOG-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN CC(C)N(C)c1ncccc1CO 40864518 343223633 /nfs/dbraw/zinc/22/36/33/343223633.db2.gz ICFHQEBWZIDXES-UHFFFAOYSA-N 0 0 180.251 1.419 10 0 ADAERN Cc1cnn(-c2ccnc(CO)c2)c1 40879710 343223655 /nfs/dbraw/zinc/22/36/55/343223655.db2.gz SFFLWNDGVPLAGN-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CCN(C)c1ncccc1CO 40877136 343223663 /nfs/dbraw/zinc/22/36/63/343223663.db2.gz DIQWSXFTJTYUMC-UHFFFAOYSA-N 0 0 166.224 1.030 10 0 ADAERN Cc1nccn1-c1ncccc1CO 40879592 343223665 /nfs/dbraw/zinc/22/36/65/343223665.db2.gz JAETUBCNZUFELW-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN Cc1ccc(-n2nc(N)cc2N)cc1 40907131 343223960 /nfs/dbraw/zinc/22/39/60/343223960.db2.gz ZBOYMORADIMTMT-UHFFFAOYSA-N 0 0 188.234 1.345 10 0 ADAERN Cc1cccc(-n2nc(N)cc2N)c1 40907134 343223964 /nfs/dbraw/zinc/22/39/64/343223964.db2.gz ZRFSUUAISBUMEZ-UHFFFAOYSA-N 0 0 188.234 1.345 10 0 ADAERN CC1(C)NC(=O)N(C(C)(C)C)C1=O 40911482 343224388 /nfs/dbraw/zinc/22/43/88/343224388.db2.gz PJKUTNUXUOPIRY-UHFFFAOYSA-N 0 0 184.239 1.115 10 0 ADAERN C[C@@H](N)C(=O)OCCc1ccccc1 40953064 343224701 /nfs/dbraw/zinc/22/47/01/343224701.db2.gz FUIKOCBJCDGKFN-SECBINFHSA-N 0 0 193.246 1.120 10 0 ADAERN CC[C@H](C)Sc1c[nH]nc1N 40999502 343225320 /nfs/dbraw/zinc/22/53/20/343225320.db2.gz KBAYSYMJHMXAGI-YFKPBYRVSA-N 0 0 171.269 1.883 10 0 ADAERN CC(C)[S@@](=O)Cc1cccc(N)c1 40971690 343225334 /nfs/dbraw/zinc/22/53/34/343225334.db2.gz GFDFRVZSLQYXLO-CYBMUJFWSA-N 0 0 197.303 1.926 10 0 ADAERN CNC(=O)CSCC(C)C 41364739 343234137 /nfs/dbraw/zinc/23/41/37/343234137.db2.gz DWOAMNJOZOZQRB-UHFFFAOYSA-N 0 0 161.270 1.122 10 0 ADAERN CC(C)CSCC(=O)N(C)C 41364975 343234141 /nfs/dbraw/zinc/23/41/41/343234141.db2.gz GJHTYLDRAVBRSD-UHFFFAOYSA-N 0 0 175.297 1.464 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)O2)cc1 41199740 343231517 /nfs/dbraw/zinc/23/15/17/343231517.db2.gz SLONLHBEPYBEJX-VIFPVBQESA-N 0 0 177.203 1.776 10 0 ADAERN CSc1nnc(C)n1C(C)C 41360561 343233315 /nfs/dbraw/zinc/23/33/15/343233315.db2.gz AYVBAEOLHVWGED-UHFFFAOYSA-N 0 0 171.269 1.889 10 0 ADAERN Cc1cccc(-c2nc[nH]n2)c1N 42040865 343236997 /nfs/dbraw/zinc/23/69/97/343236997.db2.gz USUHKDPVZMBGSE-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1c(Cl)ccc2c1NC(=O)[C@H]2O 42041474 343237615 /nfs/dbraw/zinc/23/76/15/343237615.db2.gz OTMQTONMKHUNIO-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN CC(C)[S@@](=O)c1ncccc1N 42197801 343237830 /nfs/dbraw/zinc/23/78/30/343237830.db2.gz WJOISIJBLFJFKA-LBPRGKRZSA-N 0 0 184.264 1.180 10 0 ADAERN COC(=O)[C@@H](C)N[C@H](C)CC(C)C 42304272 343239934 /nfs/dbraw/zinc/23/99/34/343239934.db2.gz JBLCLZDGKMSJOJ-RKDXNWHRSA-N 0 0 187.283 1.572 10 0 ADAERN CC(C)[C@@H](NN)c1cccs1 42331784 343239940 /nfs/dbraw/zinc/23/99/40/343239940.db2.gz YNACVICGIAZWQQ-MRVPVSSYSA-N 0 0 170.281 1.909 10 0 ADAERN CCCC(=O)Nc1cc(C)c(N)cn1 42373053 343241156 /nfs/dbraw/zinc/24/11/56/343241156.db2.gz VNSAANMPGYLUGA-UHFFFAOYSA-N 0 0 193.250 1.711 10 0 ADAERN CC[S@@](=O)Cc1cccc(N)c1 42372880 343241157 /nfs/dbraw/zinc/24/11/57/343241157.db2.gz XBRQYHRPXVEWHQ-LBPRGKRZSA-N 0 0 183.276 1.537 10 0 ADAERN Cc1cccc([C@](C)([NH3+])C(=O)[O-])c1 42373419 343241165 /nfs/dbraw/zinc/24/11/65/343241165.db2.gz DJMCHRHDBXVQLL-JTQLQIEISA-N 0 0 179.219 1.254 10 0 ADAERN Cc1ccc(C)n1Cc1cn[nH]c1 42356565 343241187 /nfs/dbraw/zinc/24/11/87/343241187.db2.gz FDRPQMOJTAEERP-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN Cc1cccc([C@@](C)([NH3+])C(=O)[O-])c1 42373420 343241211 /nfs/dbraw/zinc/24/12/11/343241211.db2.gz DJMCHRHDBXVQLL-SNVBAGLBSA-N 0 0 179.219 1.254 10 0 ADAERN Cc1n[nH]cc1Cn1cccc1 42356574 343241220 /nfs/dbraw/zinc/24/12/20/343241220.db2.gz SFSRPHMXAREECE-UHFFFAOYSA-N 0 0 161.208 1.568 10 0 ADAERN Cc1c(C=O)cnn1[C@@H](C)C1CC1 42355313 343241223 /nfs/dbraw/zinc/24/12/23/343241223.db2.gz NCYAPNUTABNFRP-ZETCQYMHSA-N 0 0 178.235 1.975 10 0 ADAERN C[N@H+](C1CC1)C1(C(=O)[O-])CCCCC1 41856714 343235996 /nfs/dbraw/zinc/23/59/96/343235996.db2.gz PSBATYLIEMONBW-UHFFFAOYSA-N 0 0 197.278 1.868 10 0 ADAERN CCc1nccn1[C@H]1CCCC[C@H]1O 42420089 343242268 /nfs/dbraw/zinc/24/22/68/343242268.db2.gz UJQISZLUXFMMAZ-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN CCc1nccn1[C@@H]1CCCC[C@H]1O 42420088 343242325 /nfs/dbraw/zinc/24/23/25/343242325.db2.gz UJQISZLUXFMMAZ-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN Cc1cccc(N2CCC[C@@H]2CO)n1 42434567 343242628 /nfs/dbraw/zinc/24/26/28/343242628.db2.gz ROJSKYFIYIYFAL-SNVBAGLBSA-N 0 0 192.262 1.351 10 0 ADAERN C[C@@H]1CCC[C@@H](N(C)C(N)=S)C1 42494090 343245136 /nfs/dbraw/zinc/24/51/36/343245136.db2.gz GYZNLNSTGXGJLF-HTQZYQBOSA-N 0 0 186.324 1.741 10 0 ADAERN C[C@@H](Cn1cccn1)n1cccc1 42542572 343245688 /nfs/dbraw/zinc/24/56/88/343245688.db2.gz VRXXZKWRFXHJIZ-JTQLQIEISA-N 0 0 175.235 1.946 10 0 ADAERN CNC(=O)[C@@H](C)n1c(C)ccc1C 42572823 343247548 /nfs/dbraw/zinc/24/75/48/343247548.db2.gz YUXURUIEQQQSQK-SECBINFHSA-N 0 0 180.251 1.412 10 0 ADAERN CCC1CCC(NC(N)=S)CC1 42580762 343247704 /nfs/dbraw/zinc/24/77/04/343247704.db2.gz DDCLFWHMIKJSQV-UHFFFAOYSA-N 0 0 186.324 1.788 10 0 ADAERN CC[C@H](NC(=O)c1cn[nH]c1)C(C)C 42595907 343248636 /nfs/dbraw/zinc/24/86/36/343248636.db2.gz DRVLUCWUKJEVON-VIFPVBQESA-N 0 0 195.266 1.574 10 0 ADAERN CC[C@@]1(c2cccs2)NCC(=O)N1 42809093 343250228 /nfs/dbraw/zinc/25/02/28/343250228.db2.gz ISWFHKHRYZHXHI-SECBINFHSA-N 0 0 196.275 1.030 10 0 ADAERN C[C@@H]1N[C@@H](C2CCCCC2)NC1=O 42802638 343250231 /nfs/dbraw/zinc/25/02/31/343250231.db2.gz WMDLLHCTQPWEJS-IONNQARKSA-N 0 0 182.267 1.001 10 0 ADAERN C[C@@H]1CCCC[C@H]1CNC(N)=S 42866449 343250236 /nfs/dbraw/zinc/25/02/36/343250236.db2.gz AXHLUVGMLAIROZ-SFYZADRCSA-N 0 0 186.324 1.646 10 0 ADAERN CC(C)[C@H]1NC(c2ccco2)=NC1=O 42823892 343250277 /nfs/dbraw/zinc/25/02/77/343250277.db2.gz SZABKRJLMZGBEV-MRVPVSSYSA-N 0 0 192.218 1.181 10 0 ADAERN Cc1c(F)cccc1N1CCC(=O)C1 43321265 343251158 /nfs/dbraw/zinc/25/11/58/343251158.db2.gz RLWJOBXLQGDSKI-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN Cc1c(F)cccc1NCCC(N)=O 43320614 343251415 /nfs/dbraw/zinc/25/14/15/343251415.db2.gz UDWLTPYZDRSROS-UHFFFAOYSA-N 0 0 196.225 1.421 10 0 ADAERN Cc1c(F)cccc1NCCCO 43444279 343252419 /nfs/dbraw/zinc/25/24/19/343252419.db2.gz DTKFZNHZNFHZNL-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN CCn1cc(C2(O)CCCC2)cn1 43463085 343252596 /nfs/dbraw/zinc/25/25/96/343252596.db2.gz WBZUUVXRYMKLAY-UHFFFAOYSA-N 0 0 180.251 1.665 10 0 ADAERN Cn1cc([C@@H](O)C[C@@H]2CCCO2)cn1 43462112 343252598 /nfs/dbraw/zinc/25/25/98/343252598.db2.gz QPVDFWDRUALKJB-UWVGGRQHSA-N 0 0 196.250 1.023 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)c1cnn(C)c1 43461760 343252599 /nfs/dbraw/zinc/25/25/99/343252599.db2.gz AJWDIDLNPQIJBJ-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN COCC(=O)c1ccc(F)cc1C 43504849 343252716 /nfs/dbraw/zinc/25/27/16/343252716.db2.gz WXOFMNRHZYHWTE-UHFFFAOYSA-N 0 0 182.194 1.963 10 0 ADAERN COCC(=O)c1ccc(F)c(OC)c1 43504841 343252791 /nfs/dbraw/zinc/25/27/91/343252791.db2.gz UYKGERQRCNHKEM-UHFFFAOYSA-N 0 0 198.193 1.663 10 0 ADAERN Cc1cnn([C@H](C)C(N)=S)c1 43514846 343253693 /nfs/dbraw/zinc/25/36/93/343253693.db2.gz BZRBFFHRERGJMV-ZCFIWIBFSA-N 0 0 169.253 1.039 10 0 ADAERN Cc1nn([C@H](C)C(N)=S)c(C)c1C 43514862 343253719 /nfs/dbraw/zinc/25/37/19/343253719.db2.gz HWJPUMJZAFKRHP-MRVPVSSYSA-N 0 0 197.307 1.655 10 0 ADAERN CCCCN1C(=O)CCN(C)C1=O 43599054 343256242 /nfs/dbraw/zinc/25/62/42/343256242.db2.gz ZRECEJOSQDRRQD-UHFFFAOYSA-N 0 0 184.239 1.071 10 0 ADAERN Cc1ccc(C(=O)[C@H]2CCCO2)o1 43609119 343256399 /nfs/dbraw/zinc/25/63/99/343256399.db2.gz LJDIXFAZFGBTLR-MRVPVSSYSA-N 0 0 180.203 1.950 10 0 ADAERN Cc1cccnc1-c1nsc(N)n1 43616236 343256971 /nfs/dbraw/zinc/25/69/71/343256971.db2.gz KLPFVSFOFUXEFU-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCC(C)(C)[NH2+][C@@H](C)C(=O)[O-] 43625925 343256993 /nfs/dbraw/zinc/25/69/93/343256993.db2.gz WBRIDAVUKDCTPN-LURJTMIESA-N 0 0 159.229 1.238 10 0 ADAERN C[C@H]([NH2+]C1(C)CCCC1)C(=O)[O-] 43627626 343257020 /nfs/dbraw/zinc/25/70/20/343257020.db2.gz BFXUIGGWJFGTBF-ZETCQYMHSA-N 0 0 171.240 1.382 10 0 ADAERN Cc1cccnc1-c1ncc[nH]1 43616960 343257037 /nfs/dbraw/zinc/25/70/37/343257037.db2.gz YMZIVPHXLRHWNU-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CC[C@@H](O)c1ncccc1C 43616341 343257051 /nfs/dbraw/zinc/25/70/51/343257051.db2.gz ZIXOCOKOHGJBGG-MRVPVSSYSA-N 0 0 151.209 1.833 10 0 ADAERN C[C@H](O)c1nc2ccc(N)cc2o1 43647100 343257802 /nfs/dbraw/zinc/25/78/02/343257802.db2.gz GRFCXAMSFDOESP-YFKPBYRVSA-N 0 0 178.191 1.463 10 0 ADAERN CCn1ncc(Cl)c1N 43665580 343258760 /nfs/dbraw/zinc/25/87/60/343258760.db2.gz WKIXKPZOGNPCKC-UHFFFAOYSA-N 0 0 145.593 1.139 10 0 ADAERN Cc1nn(CC2CC2)c(N)c1Cl 43667905 343258803 /nfs/dbraw/zinc/25/88/03/343258803.db2.gz STZBTHMWXVLSMD-UHFFFAOYSA-N 0 0 185.658 1.837 10 0 ADAERN Cc1nc(-c2cccc(=O)[nH]2)cs1 44120333 343260925 /nfs/dbraw/zinc/26/09/25/343260925.db2.gz LKGHLQDSBDFCFE-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CC[C@@H]1C[C@@H](NC(C)=O)CCO1 44137320 343261439 /nfs/dbraw/zinc/26/14/39/343261439.db2.gz RZIQQQGDBLABKM-DTWKUNHWSA-N 0 0 171.240 1.080 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@H]2CCCC[C@@H]2[NH2+]1 44138578 343261472 /nfs/dbraw/zinc/26/14/72/343261472.db2.gz WBAFZRWAQJBNFG-KHQFGBGNSA-N 0 0 183.251 1.382 10 0 ADAERN Oc1cc(O)c2[nH]ccc2c1 44184747 343261836 /nfs/dbraw/zinc/26/18/36/343261836.db2.gz QRHGHMHEMJURIB-UHFFFAOYSA-N 0 0 149.149 1.579 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1n1ccnc1 44180667 343261837 /nfs/dbraw/zinc/26/18/37/343261837.db2.gz VCNXVNBWXCZPBU-VHSXEESVSA-N 0 0 180.251 1.749 10 0 ADAERN C[C@@H](O)CCN1CCCCCC1=O 44184117 343261844 /nfs/dbraw/zinc/26/18/44/343261844.db2.gz ZBHIMSINONMZQV-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN CC[C@@H](O)[C@H](C)n1nc(C)cc1C 44181259 343261845 /nfs/dbraw/zinc/26/18/45/343261845.db2.gz MBTUISIYFATIPZ-VHSXEESVSA-N 0 0 182.267 1.832 10 0 ADAERN COc1cc(OC)c2[nH][nH]c(=O)c2c1 44184751 343261846 /nfs/dbraw/zinc/26/18/46/343261846.db2.gz YHSYJKLENSGINZ-UHFFFAOYSA-N 0 0 194.190 1.286 10 0 ADAERN Cc1nccn1[C@@H]1C[C@@H](C)CC[C@@H]1O 44181070 343261850 /nfs/dbraw/zinc/26/18/50/343261850.db2.gz BBBKASRCJKVACZ-GDPRMGEGSA-N 0 0 194.278 1.914 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1cccn1 44182718 343261852 /nfs/dbraw/zinc/26/18/52/343261852.db2.gz TUEQKKIUGWYVKS-HTQZYQBOSA-N 0 0 154.213 1.215 10 0 ADAERN CC(C)c1nccn1[C@@H](C)[C@@H](C)O 44184784 343261857 /nfs/dbraw/zinc/26/18/57/343261857.db2.gz VUQBSZDUDWAAIO-DTWKUNHWSA-N 0 0 182.267 1.948 10 0 ADAERN O[C@H]1CCCCC[C@H]1n1ccnc1 44180661 343261859 /nfs/dbraw/zinc/26/18/59/343261859.db2.gz VCNXVNBWXCZPBU-ZJUUUORDSA-N 0 0 180.251 1.749 10 0 ADAERN O[C@H]1CCCCC[C@@H]1n1ccnc1 44180663 343261863 /nfs/dbraw/zinc/26/18/63/343261863.db2.gz VCNXVNBWXCZPBU-UWVGGRQHSA-N 0 0 180.251 1.749 10 0 ADAERN O[C@@H]1CCCCCC[C@H]1n1cncn1 44183506 343261865 /nfs/dbraw/zinc/26/18/65/343261865.db2.gz DNWPJTFMLQXVBC-NXEZZACHSA-N 0 0 195.266 1.534 10 0 ADAERN CC(C)c1nccn1[C@@H](C)[C@H](C)O 44184792 343261866 /nfs/dbraw/zinc/26/18/66/343261866.db2.gz VUQBSZDUDWAAIO-IUCAKERBSA-N 0 0 182.267 1.948 10 0 ADAERN C[C@H](O)CCN1CCCCCCC1=O 44183603 343261868 /nfs/dbraw/zinc/26/18/68/343261868.db2.gz BRWYHQRSSJGYEJ-JTQLQIEISA-N 0 0 199.294 1.550 10 0 ADAERN Cc1nccn1[C@H](C)[C@@H](C)O 44180878 343261869 /nfs/dbraw/zinc/26/18/69/343261869.db2.gz SBHLUTLEJMZQEU-RNFRBKRXSA-N 0 0 154.213 1.133 10 0 ADAERN C[C@H](O)[C@@H](C)n1cnc2ccccc21 44181482 343261877 /nfs/dbraw/zinc/26/18/77/343261877.db2.gz FRYTYNLHDGCGBD-BDAKNGLRSA-N 0 0 190.246 1.978 10 0 ADAERN Cc1nccn1[C@@H](C)[C@H](C)O 44180880 343261878 /nfs/dbraw/zinc/26/18/78/343261878.db2.gz SBHLUTLEJMZQEU-BQBZGAKWSA-N 0 0 154.213 1.133 10 0 ADAERN CC[C@H](O)[C@H](C)n1nc(C)cc1C 44181257 343261881 /nfs/dbraw/zinc/26/18/81/343261881.db2.gz MBTUISIYFATIPZ-UWVGGRQHSA-N 0 0 182.267 1.832 10 0 ADAERN Cc1nccn1C[C@@H](O)C(C)(C)C 44181088 343261883 /nfs/dbraw/zinc/26/18/83/343261883.db2.gz SRGUKDCBVXZLDV-SECBINFHSA-N 0 0 182.267 1.599 10 0 ADAERN CC(C)c1nccn1[C@H](C)[C@H](C)O 44184796 343261888 /nfs/dbraw/zinc/26/18/88/343261888.db2.gz VUQBSZDUDWAAIO-BDAKNGLRSA-N 0 0 182.267 1.948 10 0 ADAERN O[C@@H]1CCCCCC[C@@H]1n1cncn1 44183509 343261891 /nfs/dbraw/zinc/26/18/91/343261891.db2.gz DNWPJTFMLQXVBC-VHSXEESVSA-N 0 0 195.266 1.534 10 0 ADAERN C[C@H](O)[C@H](C)n1cnc2ccccc21 44181479 343261893 /nfs/dbraw/zinc/26/18/93/343261893.db2.gz FRYTYNLHDGCGBD-IUCAKERBSA-N 0 0 190.246 1.978 10 0 ADAERN CC(C)OC(=O)Nc1cn[nH]c1 44240518 343262695 /nfs/dbraw/zinc/26/26/95/343262695.db2.gz CIWWBWFVKJTBMN-UHFFFAOYSA-N 0 0 169.184 1.367 10 0 ADAERN Cc1cc(C[C@H]([NH3+])C(=O)[O-])c(C)s1 44289665 343263172 /nfs/dbraw/zinc/26/31/72/343263172.db2.gz GUBJAMNHRNIPSO-QMMMGPOBSA-N 0 0 199.275 1.319 10 0 ADAERN CCc1nc(N)cc(C(C)(C)C)n1 44262622 343263203 /nfs/dbraw/zinc/26/32/03/343263203.db2.gz QQAVKLKPWNLGRM-UHFFFAOYSA-N 0 0 179.267 1.919 10 0 ADAERN C[C@H](O)CN1CCCCCCC1=O 44341975 343263602 /nfs/dbraw/zinc/26/36/02/343263602.db2.gz RVQJTUQVDLYWCL-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCCC[C@H]1C 44415280 343265407 /nfs/dbraw/zinc/26/54/07/343265407.db2.gz ZGBYDMRALRRGHO-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN COc1cnc2[nH]ccc2c1C 44712659 343267981 /nfs/dbraw/zinc/26/79/81/343267981.db2.gz SPIAREYCIANVCP-UHFFFAOYSA-N 0 0 162.192 1.880 10 0 ADAERN Cc1cnc2c(c1C)CC(=O)N2 44712683 343268008 /nfs/dbraw/zinc/26/80/08/343268008.db2.gz YIQIEBDBFAKGQX-UHFFFAOYSA-N 0 0 162.192 1.193 10 0 ADAERN Nc1cnc2c(Cl)c[nH]c2c1 44712978 343268377 /nfs/dbraw/zinc/26/83/77/343268377.db2.gz MUKGNPHNXNUNAU-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Cc1nc2cc(N)cc(N)c2s1 45237110 343271761 /nfs/dbraw/zinc/27/17/61/343271761.db2.gz QCKXNPCFZAVSFH-UHFFFAOYSA-N 0 0 179.248 1.769 10 0 ADAERN Cc1nc2ccc(O)c(N)c2s1 45237135 343271799 /nfs/dbraw/zinc/27/17/99/343271799.db2.gz WEZOWFNAONVNQD-UHFFFAOYSA-N 0 0 180.232 1.893 10 0 ADAERN Cc1cc2nc[nH]c2nc1C 45787022 343271966 /nfs/dbraw/zinc/27/19/66/343271966.db2.gz GZHRJZDAOSOXBU-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN CC1Oc2c[nH]cc2O1 45803005 343272335 /nfs/dbraw/zinc/27/23/35/343272335.db2.gz UHNWDBFTXUEWGO-UHFFFAOYSA-N 0 0 125.127 1.132 10 0 ADAERN Cc1cc(-c2cnccn2)on1 45814175 343272399 /nfs/dbraw/zinc/27/23/99/343272399.db2.gz MBBDLWRKPBAFEF-UHFFFAOYSA-N 0 0 161.164 1.440 10 0 ADAERN CN1C[C@@H]2CCC[C@@H]2OC1=O 45809705 343272444 /nfs/dbraw/zinc/27/24/44/343272444.db2.gz QLVLLQSFNLQGHP-BQBZGAKWSA-N 0 0 155.197 1.237 10 0 ADAERN Cc1nc2cccc(C)c2[nH]c1=O 45823605 343272691 /nfs/dbraw/zinc/27/26/91/343272691.db2.gz PRTGYYNMRJBFRH-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN CCOC(=O)c1cnc(OC)c(F)c1 47203132 343273150 /nfs/dbraw/zinc/27/31/50/343273150.db2.gz IRGGYWIGWLOUHH-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN O=c1ccc2[nH]cc(Cl)c2[nH]1 44712868 343268422 /nfs/dbraw/zinc/26/84/22/343268422.db2.gz ZLBFJPGHVOLGRP-UHFFFAOYSA-N 0 0 168.583 1.510 10 0 ADAERN Nc1c[nH]c2c(Cl)nccc12 44713180 343268743 /nfs/dbraw/zinc/26/87/43/343268743.db2.gz ZBEFEIUZLALVGC-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Nc1cc(F)cc2sc(=O)[nH]c12 44713332 343268744 /nfs/dbraw/zinc/26/87/44/343268744.db2.gz VMKNLUAEOMNRNN-UHFFFAOYSA-N 0 0 184.195 1.311 10 0 ADAERN CC1(C)C[C@H]1NCc1csnn1 45117148 343271346 /nfs/dbraw/zinc/27/13/46/343271346.db2.gz QUVWAUYKXHITDN-SSDOTTSWSA-N 0 0 183.280 1.426 10 0 ADAERN CN(CC(N)=S)c1cccc(F)c1 50004312 343277640 /nfs/dbraw/zinc/27/76/40/343277640.db2.gz GJHLIIZJEUHLND-UHFFFAOYSA-N 0 0 198.266 1.548 10 0 ADAERN Cc1ccc(N(C)CC(N)=S)cc1 50004246 343277647 /nfs/dbraw/zinc/27/76/47/343277647.db2.gz MPLWMIZOWVSEJP-UHFFFAOYSA-N 0 0 194.303 1.717 10 0 ADAERN CN(C(N)=O)c1ccccc1F 50006496 343277654 /nfs/dbraw/zinc/27/76/54/343277654.db2.gz FSPYGNCFIUNIQT-UHFFFAOYSA-N 0 0 168.171 1.341 10 0 ADAERN CN(C(N)=S)c1cccc(F)c1 50006366 343277656 /nfs/dbraw/zinc/27/76/56/343277656.db2.gz GSFFDTXQRFCMIS-UHFFFAOYSA-N 0 0 184.239 1.506 10 0 ADAERN CCc1ncc2c(n1)CCCC2=O 50093779 343277700 /nfs/dbraw/zinc/27/77/00/343277700.db2.gz IXAYUWGWTGLOPS-UHFFFAOYSA-N 0 0 176.219 1.558 10 0 ADAERN CCc1nc(N)oc1C 50266303 343280715 /nfs/dbraw/zinc/28/07/15/343280715.db2.gz JFKLOPADNDKUBU-UHFFFAOYSA-N 0 0 126.159 1.128 10 0 ADAERN CC[C@H](C)c1coc(N)n1 50266251 343280726 /nfs/dbraw/zinc/28/07/26/343280726.db2.gz URUNGYXBHNWRCT-YFKPBYRVSA-N 0 0 140.186 1.770 10 0 ADAERN C[C@H](N)c1nnc(-c2ccoc2)o1 50284112 343281105 /nfs/dbraw/zinc/28/11/05/343281105.db2.gz MGDASSNMROOSGG-YFKPBYRVSA-N 0 0 179.179 1.349 10 0 ADAERN C[C@H](N)c1nnc(-c2ccsc2)o1 50284100 343281107 /nfs/dbraw/zinc/28/11/07/343281107.db2.gz ASIYMYYDVQXKIT-YFKPBYRVSA-N 0 0 195.247 1.818 10 0 ADAERN CC[C@@H](C)c1nnc(CN)o1 50283467 343281115 /nfs/dbraw/zinc/28/11/15/343281115.db2.gz XGFRLLBPYNWRPC-RXMQYKEDSA-N 0 0 155.201 1.042 10 0 ADAERN CC1(C)C[C@H](O)c2ccc(O)cc2O1 50273182 343281137 /nfs/dbraw/zinc/28/11/37/343281137.db2.gz VSXBFKGWZUQWCS-VIFPVBQESA-N 0 0 194.230 1.987 10 0 ADAERN CC1(C)C[C@@H](O)c2ccc(O)cc2O1 50273183 343281139 /nfs/dbraw/zinc/28/11/39/343281139.db2.gz VSXBFKGWZUQWCS-SECBINFHSA-N 0 0 194.230 1.987 10 0 ADAERN C[NH+](C)[C@H](C(=O)[O-])C1CCCC1 50272940 343281142 /nfs/dbraw/zinc/28/11/42/343281142.db2.gz YBJZAZNTNYNPSC-QMMMGPOBSA-N 0 0 171.240 1.191 10 0 ADAERN Cc1ccc(-c2nnc([C@H](C)N)o2)o1 50284217 343281145 /nfs/dbraw/zinc/28/11/45/343281145.db2.gz KTXBTIUYQLZZOV-LURJTMIESA-N 0 0 193.206 1.658 10 0 ADAERN C[C@H](N)c1nnc(CC(C)(C)C)o1 50284258 343281157 /nfs/dbraw/zinc/28/11/57/343281157.db2.gz SIJJHQCPTCMXGB-LURJTMIESA-N 0 0 183.255 1.678 10 0 ADAERN N[C@@H](C1=CCCC1)C(F)(F)F 50327071 343281489 /nfs/dbraw/zinc/28/14/89/343281489.db2.gz DIIBQBJOVZVAPD-LURJTMIESA-N 0 0 165.158 1.986 10 0 ADAERN C[C@H](O)C(=O)c1ccc(F)c(F)c1 50161280 343278806 /nfs/dbraw/zinc/27/88/06/343278806.db2.gz IZVVLUSOFWGLKN-YFKPBYRVSA-N 0 0 186.157 1.528 10 0 ADAERN Cc1ccc(C)c(C(=O)[C@H](C)O)c1 50161273 343278823 /nfs/dbraw/zinc/27/88/23/343278823.db2.gz HFJIHLGFCDJDTE-VIFPVBQESA-N 0 0 178.231 1.867 10 0 ADAERN CCC(=O)CN1CCSCC1 50180244 343279196 /nfs/dbraw/zinc/27/91/96/343279196.db2.gz TTWNQGPUUNFFSU-UHFFFAOYSA-N 0 0 173.281 1.014 10 0 ADAERN Cc1ccc(-c2ccc(NN)nn2)o1 50194215 343279536 /nfs/dbraw/zinc/27/95/36/343279536.db2.gz QCDVWNIXENZZLE-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CCC(=O)CSc1nncs1 50182027 343279543 /nfs/dbraw/zinc/27/95/43/343279543.db2.gz CLJOMGGQTOPLFH-UHFFFAOYSA-N 0 0 188.277 1.609 10 0 ADAERN Cc1cnn(CC2CCCC2)c1N 50272011 343280610 /nfs/dbraw/zinc/28/06/10/343280610.db2.gz HGMDGZXULCVCQG-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN Cc1cc(N)n(CC2CCCC2)n1 50272012 343280614 /nfs/dbraw/zinc/28/06/14/343280614.db2.gz PVMPVNOFNCKWAH-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN C[C@@](O)(C(N)=O)c1cccc(Cl)c1 50976574 343287502 /nfs/dbraw/zinc/28/75/02/343287502.db2.gz MBVMXSQZMWSFBQ-VIFPVBQESA-N 0 0 199.637 1.033 10 0 ADAERN CC[C@](O)(C(N)=O)c1ccc(C)cc1 50977496 343287511 /nfs/dbraw/zinc/28/75/11/343287511.db2.gz KHJMGWDXWWCAAR-LLVKDONJSA-N 0 0 193.246 1.078 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@](O)(C(N)=O)C1 50976720 343287519 /nfs/dbraw/zinc/28/75/19/343287519.db2.gz ACXNSSNYIFHASX-OIBJUYFYSA-N 0 0 185.267 1.049 10 0 ADAERN CC[C@@](O)(C(N)=O)c1ccc(C)cc1 50977498 343287526 /nfs/dbraw/zinc/28/75/26/343287526.db2.gz KHJMGWDXWWCAAR-NSHDSACASA-N 0 0 193.246 1.078 10 0 ADAERN C[C@H]1CC(C)(C)C[C@](O)(C(N)=O)C1 50976714 343287538 /nfs/dbraw/zinc/28/75/38/343287538.db2.gz ACXNSSNYIFHASX-XVKPBYJWSA-N 0 0 185.267 1.049 10 0 ADAERN C[C@H](NN)c1ccsc1 50345138 343282158 /nfs/dbraw/zinc/28/21/58/343282158.db2.gz QZKQQAWMDGCBQY-YFKPBYRVSA-N 0 0 142.227 1.272 10 0 ADAERN Cc1ccc(OC(F)F)c(N)n1 50440867 343283316 /nfs/dbraw/zinc/28/33/16/343283316.db2.gz JRXZVLDKVIMLBE-UHFFFAOYSA-N 0 0 174.150 1.574 10 0 ADAERN CCn1cc(CC2(O)CCCC2)cn1 50541401 343283974 /nfs/dbraw/zinc/28/39/74/343283974.db2.gz UWIGSHJTFLRPKV-UHFFFAOYSA-N 0 0 194.278 1.751 10 0 ADAERN CCn1cc(C[C@H]2CCC[C@H]2O)cn1 50543672 343284433 /nfs/dbraw/zinc/28/44/33/343284433.db2.gz IHBZXACWCKXZGL-GHMZBOCLSA-N 0 0 194.278 1.607 10 0 ADAERN CNC(=O)c1cnc(NC)c(Cl)c1 50725830 343286010 /nfs/dbraw/zinc/28/60/10/343286010.db2.gz KTHQMGUCTIYZLT-UHFFFAOYSA-N 0 0 199.641 1.136 10 0 ADAERN CCc1cc(N)nc(-c2ccco2)n1 50866904 343286362 /nfs/dbraw/zinc/28/63/62/343286362.db2.gz HZJGATXDWWRCCX-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CC(C)OCc1ccc(N)nc1 50831819 343286390 /nfs/dbraw/zinc/28/63/90/343286390.db2.gz MTRRVZKEXCYKPW-UHFFFAOYSA-N 0 0 166.224 1.589 10 0 ADAERN CCc1cc(N)nc(C(C)C)n1 50846198 343286473 /nfs/dbraw/zinc/28/64/73/343286473.db2.gz VDPZEZYGHOLDTG-UHFFFAOYSA-N 0 0 165.240 1.745 10 0 ADAERN CCc1c(C)nc(COC)nc1N 50845570 343286506 /nfs/dbraw/zinc/28/65/06/343286506.db2.gz OJFLENXTSZOELY-UHFFFAOYSA-N 0 0 181.239 1.076 10 0 ADAERN CCc1nnc([C@@H]2CCCCO2)[nH]1 50970391 343287012 /nfs/dbraw/zinc/28/70/12/343287012.db2.gz AYGCNNUATJQZOW-ZETCQYMHSA-N 0 0 181.239 1.609 10 0 ADAERN S=C1N=NC([C@@H]2CCCCO2)N1 50970430 343287168 /nfs/dbraw/zinc/28/71/68/343287168.db2.gz IEJYXNYAGRUIAG-YFKPBYRVSA-N 0 0 185.252 1.335 10 0 ADAERN C1CC[C@@H](c2nnc(C3CC3)[nH]2)OC1 50970403 343287174 /nfs/dbraw/zinc/28/71/74/343287174.db2.gz QYKODULPWWRBMN-QMMMGPOBSA-N 0 0 193.250 1.924 10 0 ADAERN NC(=S)N1Cc2ccccc2C1 50911885 343287185 /nfs/dbraw/zinc/28/71/85/343287185.db2.gz WGWDZUNNAMRVOY-UHFFFAOYSA-N 0 0 178.260 1.246 10 0 ADAERN Cc1cccnc1NC[C@H](C)O 51040910 343288351 /nfs/dbraw/zinc/28/83/51/343288351.db2.gz UWUYNLHCHOIXTA-QMMMGPOBSA-N 0 0 166.224 1.183 10 0 ADAERN CC(C)NC(=O)c1ccc(NN)cc1 51095451 343289223 /nfs/dbraw/zinc/28/92/23/343289223.db2.gz ZICASKRNCKHSOJ-UHFFFAOYSA-N 0 0 193.250 1.110 10 0 ADAERN Cc1ccc(F)c2c(NN)ccnc12 51151981 343289253 /nfs/dbraw/zinc/28/92/53/343289253.db2.gz JPZDWTXVAVNYPS-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1ccc(C(N)=S)c(N(C)C)c1 51596536 343290218 /nfs/dbraw/zinc/29/02/18/343290218.db2.gz OQUQNKKUZVEHIZ-UHFFFAOYSA-N 0 0 194.303 1.695 10 0 ADAERN O=Cc1nccn1Cc1ccccn1 51003489 343287900 /nfs/dbraw/zinc/28/79/00/343287900.db2.gz RONYLTAVFMTMMG-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN Cc1cc(Cn2ccnc2C=O)on1 51003328 343287908 /nfs/dbraw/zinc/28/79/08/343287908.db2.gz QFXSABADDFQTCY-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN O=Cc1nccn1Cc1cccnc1 51003491 343287920 /nfs/dbraw/zinc/28/79/20/343287920.db2.gz KJZVWGJAOCJQDT-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN O=Cc1nccn1Cc1ccsc1 51003338 343287930 /nfs/dbraw/zinc/28/79/30/343287930.db2.gz NBOSCGFDERTZLM-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN O=Cc1nccn1Cc1cccs1 51003445 343287935 /nfs/dbraw/zinc/28/79/35/343287935.db2.gz FYEZSNVVHGITEA-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN OCc1nccn1Cc1ccsc1 51003761 343287947 /nfs/dbraw/zinc/28/79/47/343287947.db2.gz KVPUOAWTJCHSAK-UHFFFAOYSA-N 0 0 194.259 1.485 10 0 ADAERN CC(=O)NC(=O)c1cccc(Cl)n1 51073987 343288192 /nfs/dbraw/zinc/28/81/92/343288192.db2.gz FJROGPXAWUDSOX-UHFFFAOYSA-N 0 0 198.609 1.011 10 0 ADAERN C[C@H]1CCCN1c1cccc(CO)n1 51041673 343288299 /nfs/dbraw/zinc/28/82/99/343288299.db2.gz DRPWCQVBFUCVBS-VIFPVBQESA-N 0 0 192.262 1.563 10 0 ADAERN Cc1cccnc1NCc1nc[nH]n1 51040978 343288308 /nfs/dbraw/zinc/28/83/08/343288308.db2.gz IUFVXDSETYSXNL-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1cccnc1NC[C@@H]1CCCO1 51040884 343288323 /nfs/dbraw/zinc/28/83/23/343288323.db2.gz FBWMFPHQNSSDHY-JTQLQIEISA-N 0 0 192.262 1.981 10 0 ADAERN C[C@H]1CCN(c2cccc(CO)n2)C1 51041919 343288332 /nfs/dbraw/zinc/28/83/32/343288332.db2.gz XLCBQFACSPQRAN-VIFPVBQESA-N 0 0 192.262 1.420 10 0 ADAERN Cc1cccnc1NC(C)(C)C(N)=O 51041047 343288338 /nfs/dbraw/zinc/28/83/38/343288338.db2.gz TUHHAAFSCMJYJN-UHFFFAOYSA-N 0 0 193.250 1.066 10 0 ADAERN Cc1ccc(N(C)C[C@@H](C)O)nc1 51821229 343294227 /nfs/dbraw/zinc/29/42/27/343294227.db2.gz KDTRAVDPTZNXSK-SECBINFHSA-N 0 0 180.251 1.207 10 0 ADAERN Cc1cccnc1N(C)C[C@@H](C)O 51821137 343294245 /nfs/dbraw/zinc/29/42/45/343294245.db2.gz HVYNAYULIPVOBH-SECBINFHSA-N 0 0 180.251 1.207 10 0 ADAERN C[C@H](O)CN(C)c1cccc(F)c1N 51819839 343294248 /nfs/dbraw/zinc/29/42/48/343294248.db2.gz AKRQCNORVCZUFO-ZETCQYMHSA-N 0 0 198.241 1.225 10 0 ADAERN CCCN(C)c1ccnc(Cl)n1 51849451 343294611 /nfs/dbraw/zinc/29/46/11/343294611.db2.gz QRZKSPTWSAXOGX-UHFFFAOYSA-N 0 0 185.658 1.976 10 0 ADAERN CN(CC1CC1)c1ccnc(Cl)n1 51849639 343294639 /nfs/dbraw/zinc/29/46/39/343294639.db2.gz VMOJSDHSOUTESY-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN CN(c1ccnc(Cl)n1)C1CC1 51849438 343294656 /nfs/dbraw/zinc/29/46/56/343294656.db2.gz VAQCGNYAXBFKPS-UHFFFAOYSA-N 0 0 183.642 1.729 10 0 ADAERN Cc1cccnc1N1CC[C@H](CO)C1 51886499 343294958 /nfs/dbraw/zinc/29/49/58/343294958.db2.gz GHGYYMATCMFZSU-JTQLQIEISA-N 0 0 192.262 1.209 10 0 ADAERN Cc1ccc(N2CC[C@@H](CO)C2)nc1 51886584 343294982 /nfs/dbraw/zinc/29/49/82/343294982.db2.gz LDAMKDSMXLWQRN-SNVBAGLBSA-N 0 0 192.262 1.209 10 0 ADAERN Cc1cccnc1N1CC[C@@H](CO)C1 51886500 343295035 /nfs/dbraw/zinc/29/50/35/343295035.db2.gz GHGYYMATCMFZSU-SNVBAGLBSA-N 0 0 192.262 1.209 10 0 ADAERN Cc1nc(-c2ncccc2C)n[nH]1 51813403 343293711 /nfs/dbraw/zinc/29/37/11/343293711.db2.gz BAAFPMORRPYEDW-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN CCn1ccnc1CNc1cn[nH]c1 51921493 343295497 /nfs/dbraw/zinc/29/54/97/343295497.db2.gz APKSIZNQYLXDBH-UHFFFAOYSA-N 0 0 191.238 1.238 10 0 ADAERN Cc1ncn([C@H]2CCCC[C@@H]2O)c1C 51927519 343296597 /nfs/dbraw/zinc/29/65/97/343296597.db2.gz SSPDRQBOZQXNDB-QWRGUYRKSA-N 0 0 194.278 1.976 10 0 ADAERN CC(=O)[C@@H](C)n1cnc(C)c1C 51927326 343296644 /nfs/dbraw/zinc/29/66/44/343296644.db2.gz ZOUGAKKAGBYPMV-MRVPVSSYSA-N 0 0 166.224 1.650 10 0 ADAERN Cc1ccc(N2CC[C@H](CO)C2)nc1 51886583 343295049 /nfs/dbraw/zinc/29/50/49/343295049.db2.gz LDAMKDSMXLWQRN-JTQLQIEISA-N 0 0 192.262 1.209 10 0 ADAERN C[C@H](CO)Nc1cc(F)ccc1N 52120216 343300359 /nfs/dbraw/zinc/30/03/59/343300359.db2.gz WNPSKYDXTZBMKW-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1sccc1N 52268728 343303010 /nfs/dbraw/zinc/30/30/10/343303010.db2.gz GXCPKHZBOALZKH-CAHLUQPWSA-N 0 0 196.275 1.469 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncccc1N 52273498 343303280 /nfs/dbraw/zinc/30/32/80/343303280.db2.gz PFWVDJUQEBIPFJ-POYBYMJQSA-N 0 0 163.224 1.484 10 0 ADAERN C[C@H]1C[C@@H]1NCc1csnn1 52273472 343303300 /nfs/dbraw/zinc/30/33/00/343303300.db2.gz CQDFKQRDIKAICS-FSPLSTOPSA-N 0 0 169.253 1.036 10 0 ADAERN C[C@H]1C[C@H]1NCc1csnn1 52273476 343303350 /nfs/dbraw/zinc/30/33/50/343303350.db2.gz CQDFKQRDIKAICS-CAHLUQPWSA-N 0 0 169.253 1.036 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncnc2nc[nH]c12 52291613 343304611 /nfs/dbraw/zinc/30/46/11/343304611.db2.gz KKVNLONOIVUPAN-RITPCOANSA-N 0 0 189.222 1.173 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccncn1 52290668 343304642 /nfs/dbraw/zinc/30/46/42/343304642.db2.gz FKKXPTBBONUQJL-BQBZGAKWSA-N 0 0 149.197 1.297 10 0 ADAERN Cc1cc(N[C@@H]2C[C@H]2C)ncn1 52290539 343304648 /nfs/dbraw/zinc/30/46/48/343304648.db2.gz IJQKXSZXWGBFAN-HTRCEHHLSA-N 0 0 163.224 1.605 10 0 ADAERN CCc1cc(N[C@@H]2C[C@@H]2C)ncn1 52290556 343304694 /nfs/dbraw/zinc/30/46/94/343304694.db2.gz RIYMRRPKHJTCJG-IONNQARKSA-N 0 0 177.251 1.859 10 0 ADAERN Cc1n[nH]c(=S)n1[C@@H]1C[C@@H]1C 52292858 343304989 /nfs/dbraw/zinc/30/49/89/343304989.db2.gz BMVLMKKFAJEKLU-UJURSFKZSA-N 0 0 169.253 1.830 10 0 ADAERN C[C@H]1C[C@H]1Nc1ccc(Cl)nn1 52291643 343304995 /nfs/dbraw/zinc/30/49/95/343304995.db2.gz SWORGMWVFRNMLP-NTSWFWBYSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccc(Cl)nn1 52291638 343305023 /nfs/dbraw/zinc/30/50/23/343305023.db2.gz SWORGMWVFRNMLP-WDSKDSINSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@H]1Nc1ccnc(Cl)n1 52297915 343305148 /nfs/dbraw/zinc/30/51/48/343305148.db2.gz UVEDNEXEOIUZDK-NTSWFWBYSA-N 0 0 183.642 1.950 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@@H]1C 52299191 343305557 /nfs/dbraw/zinc/30/55/57/343305557.db2.gz CWNNALUEUUDNTF-XNCJUZBTSA-N 0 0 193.250 1.165 10 0 ADAERN CC(C)c1cc(=S)n(C)[nH]1 52304949 343305593 /nfs/dbraw/zinc/30/55/93/343305593.db2.gz PBVZZTOZSFOVAS-UHFFFAOYSA-N 0 0 156.254 1.832 10 0 ADAERN C[C@H](NC(N)=S)C1CCCCC1 52341093 343306258 /nfs/dbraw/zinc/30/62/58/343306258.db2.gz TYAWZWJDUJKQBB-ZETCQYMHSA-N 0 0 186.324 1.788 10 0 ADAERN CC1(C)C[C@H]1n1ccc(=O)[nH]c1=S 52313084 343306263 /nfs/dbraw/zinc/30/62/63/343306263.db2.gz DHGRXQIIXQFPKK-ZCFIWIBFSA-N 0 0 196.275 1.877 10 0 ADAERN CC(C)(C)Cn1ccc(=O)[nH]c1=S 52313012 343306267 /nfs/dbraw/zinc/30/62/67/343306267.db2.gz ARDAAUFLBQRVPX-UHFFFAOYSA-N 0 0 198.291 1.952 10 0 ADAERN C[C@@H]1C[C@@H]1n1ccc(=O)[nH]c1=S 52312986 343306280 /nfs/dbraw/zinc/30/62/80/343306280.db2.gz IHJQMSCVTYSEML-RITPCOANSA-N 0 0 182.248 1.487 10 0 ADAERN C[C@H]1C[C@H]1n1ccc(=O)[nH]c1=S 52312992 343306292 /nfs/dbraw/zinc/30/62/92/343306292.db2.gz IHJQMSCVTYSEML-NTSWFWBYSA-N 0 0 182.248 1.487 10 0 ADAERN C[C@H]1C[C@H]1Nc1ccc(N)nc1 52273719 343303721 /nfs/dbraw/zinc/30/37/21/343303721.db2.gz WKPJAWSCGMGRAJ-POYBYMJQSA-N 0 0 163.224 1.484 10 0 ADAERN Cc1nn(C)c(N[C@@H]2C[C@H]2C)c1N 52274298 343303742 /nfs/dbraw/zinc/30/37/42/343303742.db2.gz STZRONLKCKQDNF-IYSWYEEDSA-N 0 0 180.255 1.131 10 0 ADAERN Cc1nn(C)c(N[C@@H]2C[C@@H]2C)c1N 52274294 343303743 /nfs/dbraw/zinc/30/37/43/343303743.db2.gz STZRONLKCKQDNF-CAHLUQPWSA-N 0 0 180.255 1.131 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccc(N)nc1 52273715 343303772 /nfs/dbraw/zinc/30/37/72/343303772.db2.gz WKPJAWSCGMGRAJ-XPUUQOCRSA-N 0 0 163.224 1.484 10 0 ADAERN Cc1nn(C)c(N[C@H]2C[C@H]2C)c1N 52274300 343303776 /nfs/dbraw/zinc/30/37/76/343303776.db2.gz STZRONLKCKQDNF-VDTYLAMSSA-N 0 0 180.255 1.131 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1ccccc1F 52288558 343304091 /nfs/dbraw/zinc/30/40/91/343304091.db2.gz KMZGRDJUNVRAQX-OIBJUYFYSA-N 0 0 193.221 1.964 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1 52288563 343304098 /nfs/dbraw/zinc/30/40/98/343304098.db2.gz HHTMWQJKFORBHH-XVKPBYJWSA-N 0 0 193.221 1.964 10 0 ADAERN C[C@H]1C[C@H]1NCC(F)F 52288038 343304106 /nfs/dbraw/zinc/30/41/06/343304106.db2.gz SGOMASDZSVRKHK-CRCLSJGQSA-N 0 0 135.157 1.250 10 0 ADAERN Cc1nc(CN[C@@H]2C[C@H]2C)oc1C 52288055 343304166 /nfs/dbraw/zinc/30/41/66/343304166.db2.gz FGMMTXQFKGNKQP-HZGVNTEJSA-N 0 0 180.251 1.789 10 0 ADAERN Cc1nc(CN[C@@H]2C[C@@H]2C)oc1C 52288049 343304169 /nfs/dbraw/zinc/30/41/69/343304169.db2.gz FGMMTXQFKGNKQP-IMTBSYHQSA-N 0 0 180.251 1.789 10 0 ADAERN C[C@H]1C[C@H]1NCC(F)(F)F 52288223 343304179 /nfs/dbraw/zinc/30/41/79/343304179.db2.gz ZSBLFAGTVUTSPD-CRCLSJGQSA-N 0 0 153.147 1.547 10 0 ADAERN C[C@H]1C[C@H]1N1CCC(=O)CC1 52288666 343304180 /nfs/dbraw/zinc/30/41/80/343304180.db2.gz LGWBOCWSOJJSGQ-IONNQARKSA-N 0 0 153.225 1.060 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1 52288567 343304184 /nfs/dbraw/zinc/30/41/84/343304184.db2.gz HHTMWQJKFORBHH-OIBJUYFYSA-N 0 0 193.221 1.964 10 0 ADAERN Cc1ccc(-c2noc(N)n2)cc1F 52708741 343306636 /nfs/dbraw/zinc/30/66/36/343306636.db2.gz GAIPBFAMTJVRQS-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CC1CCC(c2noc(N)n2)CC1 52708843 343306667 /nfs/dbraw/zinc/30/66/67/343306667.db2.gz RTHRBKDHTFIPLS-UHFFFAOYSA-N 0 0 181.239 1.946 10 0 ADAERN Cc1cc(N)cnc1N(C)C1CC1 52812586 343307357 /nfs/dbraw/zinc/30/73/57/343307357.db2.gz BGWAUYQOPOROPN-UHFFFAOYSA-N 0 0 177.251 1.571 10 0 ADAERN CCOCCCNc1cccnn1 52815945 343307439 /nfs/dbraw/zinc/30/74/39/343307439.db2.gz RJGQSLBYSLSYGI-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CC(C)C[C@H](CO)Nc1cccnn1 52831061 343307757 /nfs/dbraw/zinc/30/77/57/343307757.db2.gz YWIVYWZWJMCGMA-SECBINFHSA-N 0 0 195.266 1.296 10 0 ADAERN C[C@@H]1CCC[C@@H](NC#N)[C@@H]1C 52832227 343308164 /nfs/dbraw/zinc/30/81/64/343308164.db2.gz ICKKSPUBQRVOHT-IWSPIJDZSA-N 0 0 152.241 1.882 10 0 ADAERN N#CNCC1CCCC1 52832333 343308167 /nfs/dbraw/zinc/30/81/67/343308167.db2.gz QQBQZIDUXUXMGZ-UHFFFAOYSA-N 0 0 124.187 1.247 10 0 ADAERN COc1ccc(NC#N)cc1F 52832347 343308168 /nfs/dbraw/zinc/30/81/68/343308168.db2.gz UYVCPUZGHKWAIO-UHFFFAOYSA-N 0 0 166.155 1.727 10 0 ADAERN C[C@@H](NC#N)c1cccnc1 52832376 343308170 /nfs/dbraw/zinc/30/81/70/343308170.db2.gz IHDQXKZPXNXSRU-SSDOTTSWSA-N 0 0 147.181 1.213 10 0 ADAERN C[C@H]1CCC[C@@H](NC#N)C1 52832331 343308172 /nfs/dbraw/zinc/30/81/72/343308172.db2.gz UTXBUTHKFRMZDH-JGVFFNPUSA-N 0 0 138.214 1.636 10 0 ADAERN C[C@H](NC#N)c1ccccn1 52832382 343308176 /nfs/dbraw/zinc/30/81/76/343308176.db2.gz BKKSNMJXTAENGJ-ZETCQYMHSA-N 0 0 147.181 1.213 10 0 ADAERN N#CNCC1CCCCC1 52832335 343308179 /nfs/dbraw/zinc/30/81/79/343308179.db2.gz ZKGLSHCBUPKNCV-UHFFFAOYSA-N 0 0 138.214 1.637 10 0 ADAERN CC(C)C[C@@H](C)NC#N 52832338 343308185 /nfs/dbraw/zinc/30/81/85/343308185.db2.gz YFSLEFRDPVBXJA-SSDOTTSWSA-N 0 0 126.203 1.492 10 0 ADAERN N#CNc1c(F)cccc1F 52832282 343308191 /nfs/dbraw/zinc/30/81/91/343308191.db2.gz RSUNOQLBKRSOPO-UHFFFAOYSA-N 0 0 154.119 1.858 10 0 ADAERN COc1cccc(CNC#N)c1 52832470 343308197 /nfs/dbraw/zinc/30/81/97/343308197.db2.gz BDUMBSVYHSBBEF-UHFFFAOYSA-N 0 0 162.192 1.266 10 0 ADAERN N#CNCc1cccs1 52832318 343308198 /nfs/dbraw/zinc/30/81/98/343308198.db2.gz IXWOAFVZKZBQOO-UHFFFAOYSA-N 0 0 138.195 1.319 10 0 ADAERN C[C@H]1CCC[C@H](NC#N)C1 52832327 343308201 /nfs/dbraw/zinc/30/82/01/343308201.db2.gz UTXBUTHKFRMZDH-YUMQZZPRSA-N 0 0 138.214 1.636 10 0 ADAERN N#CN[C@@H]1CCc2ccccc21 52832448 343308202 /nfs/dbraw/zinc/30/82/02/343308202.db2.gz RVYCGTBJIDKRIW-SNVBAGLBSA-N 0 0 158.204 1.745 10 0 ADAERN N#CN[C@H]1CCc2ccccc21 52832446 343308203 /nfs/dbraw/zinc/30/82/03/343308203.db2.gz RVYCGTBJIDKRIW-JTQLQIEISA-N 0 0 158.204 1.745 10 0 ADAERN CC(C)[C@H](C)NC#N 52832298 343308208 /nfs/dbraw/zinc/30/82/08/343308208.db2.gz JZHZXTLACKKGKB-LURJTMIESA-N 0 0 112.176 1.102 10 0 ADAERN N#CNC(C1CC1)C1CC1 52832736 343308412 /nfs/dbraw/zinc/30/84/12/343308412.db2.gz BRQALWNWPTZDHR-UHFFFAOYSA-N 0 0 136.198 1.246 10 0 ADAERN CC[C@@H](C)[C@@H](C)NC#N 52832663 343308497 /nfs/dbraw/zinc/30/84/97/343308497.db2.gz RPODLOOEVCTUOV-RNFRBKRXSA-N 0 0 126.203 1.492 10 0 ADAERN CC1(NC#N)CCCC1 52832637 343308534 /nfs/dbraw/zinc/30/85/34/343308534.db2.gz ORKJFIPFVQDHNF-UHFFFAOYSA-N 0 0 124.187 1.390 10 0 ADAERN CC[C@H](C)[C@@H](C)NC#N 52832666 343308535 /nfs/dbraw/zinc/30/85/35/343308535.db2.gz RPODLOOEVCTUOV-NKWVEPMBSA-N 0 0 126.203 1.492 10 0 ADAERN Cc1nc(CNC#N)cs1 52832630 343308536 /nfs/dbraw/zinc/30/85/36/343308536.db2.gz VVXOTUFITDCMAS-UHFFFAOYSA-N 0 0 153.210 1.022 10 0 ADAERN Cc1ccc([C@@H](C)NC#N)o1 52832582 343308538 /nfs/dbraw/zinc/30/85/38/343308538.db2.gz RLRJAYUBOYGYOQ-SSDOTTSWSA-N 0 0 150.181 1.720 10 0 ADAERN N#CNCc1cc2c(s1)CCC2 52832607 343308546 /nfs/dbraw/zinc/30/85/46/343308546.db2.gz MVRAZYFUPVJXLM-UHFFFAOYSA-N 0 0 178.260 1.807 10 0 ADAERN C[C@@H](NC#N)c1ccccc1F 52832785 343308549 /nfs/dbraw/zinc/30/85/49/343308549.db2.gz ZZMCMZQKHVRTMV-SSDOTTSWSA-N 0 0 164.183 1.957 10 0 ADAERN CC[C@@H](C)[C@H](C)NC#N 52832667 343308552 /nfs/dbraw/zinc/30/85/52/343308552.db2.gz RPODLOOEVCTUOV-RQJHMYQMSA-N 0 0 126.203 1.492 10 0 ADAERN Cc1nc(C)c([C@H](C)NC#N)s1 52832605 343308553 /nfs/dbraw/zinc/30/85/53/343308553.db2.gz FNSZXZZPJCIEMD-YFKPBYRVSA-N 0 0 181.264 1.892 10 0 ADAERN N#CNCCc1ccsc1 52832712 343308554 /nfs/dbraw/zinc/30/85/54/343308554.db2.gz MEBUYULQRNFPFW-UHFFFAOYSA-N 0 0 152.222 1.361 10 0 ADAERN CC(C)(C)CNC#N 52832593 343308557 /nfs/dbraw/zinc/30/85/57/343308557.db2.gz UTRVRGYRQRXHDZ-UHFFFAOYSA-N 0 0 112.176 1.103 10 0 ADAERN C[C@@H](Cc1ccsc1)NC#N 52832714 343308558 /nfs/dbraw/zinc/30/85/58/343308558.db2.gz WPXVNBUEKVTJAJ-ZETCQYMHSA-N 0 0 166.249 1.750 10 0 ADAERN C[C@@H](NC#N)c1cccc(F)c1 52832789 343308559 /nfs/dbraw/zinc/30/85/59/343308559.db2.gz SJHKBGPUBVTUTA-SSDOTTSWSA-N 0 0 164.183 1.957 10 0 ADAERN Cc1nc(C)c([C@@H](C)NC#N)s1 52832603 343308560 /nfs/dbraw/zinc/30/85/60/343308560.db2.gz FNSZXZZPJCIEMD-RXMQYKEDSA-N 0 0 181.264 1.892 10 0 ADAERN C[C@H](Cc1ccco1)NC#N 52832570 343308561 /nfs/dbraw/zinc/30/85/61/343308561.db2.gz FRIKAAOQSMTBTJ-SSDOTTSWSA-N 0 0 150.181 1.281 10 0 ADAERN COCc1ccccc1NC#N 52832766 343308562 /nfs/dbraw/zinc/30/85/62/343308562.db2.gz KFDPKMJCVAQPJT-UHFFFAOYSA-N 0 0 162.192 1.726 10 0 ADAERN N#CN[C@@H]1C[C@@H]1c1ccccc1 52832895 343308616 /nfs/dbraw/zinc/30/86/16/343308616.db2.gz METXUQPQIUAJLG-NXEZZACHSA-N 0 0 158.204 1.613 10 0 ADAERN N#CNC[C@H]1CC=CCC1 52832952 343308673 /nfs/dbraw/zinc/30/86/73/343308673.db2.gz QBFHRTFMNDOUAT-QMMMGPOBSA-N 0 0 136.198 1.413 10 0 ADAERN N#CN[C@@H]1CCc2ccccc2C1 52833019 343308736 /nfs/dbraw/zinc/30/87/36/343308736.db2.gz HFFQPSSCFREMJI-LLVKDONJSA-N 0 0 172.231 1.615 10 0 ADAERN N#CNCCC1=CCCCC1 52833023 343308793 /nfs/dbraw/zinc/30/87/93/343308793.db2.gz YHFRTAJTFMLWQK-UHFFFAOYSA-N 0 0 150.225 1.948 10 0 ADAERN Cc1cc(-c2ccccn2)nc(N)n1 52837949 343310507 /nfs/dbraw/zinc/31/05/07/343310507.db2.gz OJBWUUONURPDTH-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 in-vitro ADAERN CC(C)[C@@](C)(O)c1cncnc1 52887582 343311659 /nfs/dbraw/zinc/31/16/59/343311659.db2.gz XPNBAFLYHGXBGO-SECBINFHSA-N 0 0 166.224 1.340 10 0 ADAERN O[C@@H](c1cncnc1)c1ccsc1 52886774 343311712 /nfs/dbraw/zinc/31/17/12/343311712.db2.gz NMGOURSDBHCEBL-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN CC(=O)N[C@@]1(CO)CCC[C@@H](C)C1 53105084 343312888 /nfs/dbraw/zinc/31/28/88/343312888.db2.gz OHYPXAXLOBZYAC-SCZZXKLOSA-N 0 0 185.267 1.064 10 0 ADAERN O=C(Cc1cccnc1)c1cncnc1 53130119 343312893 /nfs/dbraw/zinc/31/28/93/343312893.db2.gz KOBAONYTPVVHON-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN C[C@@H]1CCC[C@](CO)(n2cnnc2)C1 53111550 343312899 /nfs/dbraw/zinc/31/28/99/343312899.db2.gz SQFTZAIPLGIKKA-ZJUUUORDSA-N 0 0 195.266 1.176 10 0 ADAERN C=CC(=O)N[C@@]1(CO)CCC[C@@H](C)C1 53107203 343312904 /nfs/dbraw/zinc/31/29/04/343312904.db2.gz SCIMQHOUZXNNGN-KOLCDFICSA-N 0 0 197.278 1.230 10 0 ADAERN C=CC(=O)N[C@]1(CO)CCC[C@H](C)C1 53107201 343312905 /nfs/dbraw/zinc/31/29/05/343312905.db2.gz SCIMQHOUZXNNGN-GXSJLCMTSA-N 0 0 197.278 1.230 10 0 ADAERN C[C@H]1CCC[C@@](CO)(n2cnnc2)C1 53111547 343312907 /nfs/dbraw/zinc/31/29/07/343312907.db2.gz SQFTZAIPLGIKKA-VHSXEESVSA-N 0 0 195.266 1.176 10 0 ADAERN CC(=O)N[C@@]1(CO)CCC[C@H](C)C1 53105086 343312975 /nfs/dbraw/zinc/31/29/75/343312975.db2.gz OHYPXAXLOBZYAC-WPRPVWTQSA-N 0 0 185.267 1.064 10 0 ADAERN COC[C@@](C)(O)C1CCCC1 53173319 343313108 /nfs/dbraw/zinc/31/31/08/343313108.db2.gz PFAROZIJNIZULN-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@@](C)(O)C(C)C 53173315 343313199 /nfs/dbraw/zinc/31/31/99/343313199.db2.gz NVTWSAVVAUNPKP-SSDOTTSWSA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@](C)(O)C1CCCCC1 53173318 343313202 /nfs/dbraw/zinc/31/32/02/343313202.db2.gz BMPUIGBOHOKHIM-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@@](C)(O)c1ccccc1F 53173231 343313271 /nfs/dbraw/zinc/31/32/71/343313271.db2.gz UQHKATHGBPHBEX-SNVBAGLBSA-N 0 0 184.210 1.680 10 0 ADAERN COC[C@@](C)(O)c1cccc(C)c1 53173367 343313275 /nfs/dbraw/zinc/31/32/75/343313275.db2.gz DWQDXGBQVTXANA-LLVKDONJSA-N 0 0 180.247 1.849 10 0 ADAERN COC[C@](C)(O)c1cccc(F)c1 53173376 343313277 /nfs/dbraw/zinc/31/32/77/343313277.db2.gz GBXMSMMOYXNMJK-JTQLQIEISA-N 0 0 184.210 1.680 10 0 ADAERN COC[C@@](C)(O)c1cccc(F)c1 53173375 343313286 /nfs/dbraw/zinc/31/32/86/343313286.db2.gz GBXMSMMOYXNMJK-SNVBAGLBSA-N 0 0 184.210 1.680 10 0 ADAERN COC[C@](C)(O)c1ccc(F)cc1 53173348 343313300 /nfs/dbraw/zinc/31/33/00/343313300.db2.gz JFEAZLCVLZAHDX-JTQLQIEISA-N 0 0 184.210 1.680 10 0 ADAERN CC(=O)CSc1nccc(C)n1 53278254 343313856 /nfs/dbraw/zinc/31/38/56/343313856.db2.gz ZPYZPSQDPBSVEK-UHFFFAOYSA-N 0 0 182.248 1.466 10 0 ADAERN CCn1cc(C(=O)C(F)(F)F)nn1 53648056 343314842 /nfs/dbraw/zinc/31/48/42/343314842.db2.gz KZVCMDYUGVGIKY-UHFFFAOYSA-N 0 0 193.128 1.043 10 0 ADAERN NNCC1CCCCCC1 53714002 343315176 /nfs/dbraw/zinc/31/51/76/343315176.db2.gz IYTHVDKTPJTERC-UHFFFAOYSA-N 0 0 142.246 1.420 10 0 ADAERN Cc1ccc(N)cc1N(C)C[C@@H](C)O 53735617 343315520 /nfs/dbraw/zinc/31/55/20/343315520.db2.gz AUARXBAMQMVDNZ-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN CCc1noc(NC(C)(C)C)n1 53750783 343315825 /nfs/dbraw/zinc/31/58/25/343315825.db2.gz NRJDSPNVOBLPIR-UHFFFAOYSA-N 0 0 169.228 1.842 10 0 ADAERN CCn1cc([C@H]2CCCC[C@@H]2O)cn1 53751511 343315840 /nfs/dbraw/zinc/31/58/40/343315840.db2.gz HBSYFHWALXHGJU-MNOVXSKESA-N 0 0 194.278 1.922 10 0 ADAERN CC(C)Cc1noc(Cl)n1 53749967 343315909 /nfs/dbraw/zinc/31/59/09/343315909.db2.gz RASSYYRSWOFYLA-UHFFFAOYSA-N 0 0 160.604 1.922 10 0 ADAERN CCn1cc([C@@H]2CCCC[C@@H]2O)cn1 53751509 343315937 /nfs/dbraw/zinc/31/59/37/343315937.db2.gz HBSYFHWALXHGJU-QWRGUYRKSA-N 0 0 194.278 1.922 10 0 ADAERN Clc1nc(C[C@@H]2CCCO2)no1 53749971 343315966 /nfs/dbraw/zinc/31/59/66/343315966.db2.gz XJBKOGGYTPMJOE-YFKPBYRVSA-N 0 0 188.614 1.445 10 0 ADAERN CCC(=O)N[C@]1(CO)CCC[C@@H](C)C1 53104310 343312843 /nfs/dbraw/zinc/31/28/43/343312843.db2.gz BMYRYLYJYFSRBG-MWLCHTKSSA-N 0 0 199.294 1.454 10 0 ADAERN C[C@@H]1CCC[C@@](CO)(n2cnnc2)C1 53111544 343312885 /nfs/dbraw/zinc/31/28/85/343312885.db2.gz SQFTZAIPLGIKKA-NXEZZACHSA-N 0 0 195.266 1.176 10 0 ADAERN C=CC(=O)N[C@@]1(CO)CCC[C@H](C)C1 53107205 343312886 /nfs/dbraw/zinc/31/28/86/343312886.db2.gz SCIMQHOUZXNNGN-ONGXEEELSA-N 0 0 197.278 1.230 10 0 ADAERN CC(=O)c1cnc(CN(C)C)s1 54159092 343318950 /nfs/dbraw/zinc/31/89/50/343318950.db2.gz KGGOGHGIZYEDLY-UHFFFAOYSA-N 0 0 184.264 1.407 10 0 ADAERN CC(=O)c1cnc([C@@H]2CCOC2)s1 54159216 343318961 /nfs/dbraw/zinc/31/89/61/343318961.db2.gz SQMXCFACZQDKHQ-SSDOTTSWSA-N 0 0 197.259 1.850 10 0 ADAERN O=C(C[C@H]1CCCO1)c1cnccn1 53766363 343316280 /nfs/dbraw/zinc/31/62/80/343316280.db2.gz SBFPVCONDPOJNT-MRVPVSSYSA-N 0 0 192.218 1.228 10 0 ADAERN O=C(C[C@@H]1CCCO1)c1cnccn1 53766360 343316384 /nfs/dbraw/zinc/31/63/84/343316384.db2.gz SBFPVCONDPOJNT-QMMMGPOBSA-N 0 0 192.218 1.228 10 0 ADAERN C[C@H](O)CC1CCCC1 53784421 343316706 /nfs/dbraw/zinc/31/67/06/343316706.db2.gz KJIPGYIYUKEUJJ-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1sc(NN)nc1-c1ccco1 54105895 343317785 /nfs/dbraw/zinc/31/77/85/343317785.db2.gz NHCAAXBGVVIKKD-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1nnc(N)nc1-c1ccco1 54084669 343318063 /nfs/dbraw/zinc/31/80/63/343318063.db2.gz CMQFXORGTJSWDB-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(=O)c1cnc(-c2nc[nH]n2)s1 54159095 343318922 /nfs/dbraw/zinc/31/89/22/343318922.db2.gz PMVHGAHDIBZGAG-UHFFFAOYSA-N 0 0 194.219 1.131 10 0 ADAERN COCc1ncc([C@@H](C)O)s1 54160846 343318924 /nfs/dbraw/zinc/31/89/24/343318924.db2.gz NSMRQLPBDGAYIW-RXMQYKEDSA-N 0 0 173.237 1.343 10 0 ADAERN CCC(C)(C)c1n[nH]c(=S)n1N 54403624 343323030 /nfs/dbraw/zinc/32/30/30/343323030.db2.gz KEYMKKIEWDROFO-UHFFFAOYSA-N 0 0 186.284 1.342 10 0 ADAERN CCc1nc(N)n([C@H](C)C2CC2)n1 54404646 343323426 /nfs/dbraw/zinc/32/34/26/343323426.db2.gz GJWKONSIJGXRDS-ZCFIWIBFSA-N 0 0 180.255 1.394 10 0 ADAERN CCc1cc(N)nn1[C@@H](C)CC 54404816 343323428 /nfs/dbraw/zinc/32/34/28/343323428.db2.gz OQKSVCWZJRKLIX-ZETCQYMHSA-N 0 0 167.256 1.999 10 0 ADAERN Cc1ccc(C)c(-n2ncnc2N)c1 54404488 343323432 /nfs/dbraw/zinc/32/34/32/343323432.db2.gz HBNCZXNCKJQYIO-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN O[C@@H](C[C@H]1CCCO1)c1ccco1 54446148 343324316 /nfs/dbraw/zinc/32/43/16/343324316.db2.gz LPQDQODDAHXHIQ-BDAKNGLRSA-N 0 0 182.219 1.882 10 0 ADAERN O[C@@H](C[C@@H]1CCCO1)c1ccco1 54446142 343324398 /nfs/dbraw/zinc/32/43/98/343324398.db2.gz LPQDQODDAHXHIQ-IUCAKERBSA-N 0 0 182.219 1.882 10 0 ADAERN CC[C@H](C)CNc1cccnn1 54473962 343324602 /nfs/dbraw/zinc/32/46/02/343324602.db2.gz VNMQXVVZVVTFIS-QMMMGPOBSA-N 0 0 165.240 1.935 10 0 ADAERN CSC[C@@H](O)C(C)C 54494587 343325179 /nfs/dbraw/zinc/32/51/79/343325179.db2.gz WBPBJDPQJMXOOQ-ZCFIWIBFSA-N 0 0 134.244 1.366 10 0 ADAERN CCn1cnnc1-c1sccc1N 54497717 343325185 /nfs/dbraw/zinc/32/51/85/343325185.db2.gz DNYCCXTTYYMBCL-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN CSCC(=O)C(C)C 54494471 343325189 /nfs/dbraw/zinc/32/51/89/343325189.db2.gz QJAOLHMWVCFERT-UHFFFAOYSA-N 0 0 132.228 1.575 10 0 ADAERN CCn1ncnc1-c1ccccc1N 54498987 343325552 /nfs/dbraw/zinc/32/55/52/343325552.db2.gz NVQZULKERXRZEW-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Cc1c(C=O)cnn1[C@@H]1CCC[C@H]1O 54599485 343327108 /nfs/dbraw/zinc/32/71/08/343327108.db2.gz AIHJJGUMWSTMEH-NXEZZACHSA-N 0 0 194.234 1.090 10 0 ADAERN CC[C@@H](C)n1cc([C@@H](C)O)cn1 54724469 343328143 /nfs/dbraw/zinc/32/81/43/343328143.db2.gz GKTZFPFCCRJIGU-HTQZYQBOSA-N 0 0 168.240 1.907 10 0 ADAERN CC[C@H](C)n1cc([C@@H](C)O)cn1 54724473 343328144 /nfs/dbraw/zinc/32/81/44/343328144.db2.gz GKTZFPFCCRJIGU-JGVFFNPUSA-N 0 0 168.240 1.907 10 0 ADAERN C[C@H](O)c1cnn(CC2CC2)c1 54724554 343328146 /nfs/dbraw/zinc/32/81/46/343328146.db2.gz WWMJJFMNWXOLOU-ZETCQYMHSA-N 0 0 166.224 1.346 10 0 ADAERN CC(C)Cn1cc([C@H](C)O)cn1 54724209 343328147 /nfs/dbraw/zinc/32/81/47/343328147.db2.gz QFERGDYVKSLNCE-QMMMGPOBSA-N 0 0 168.240 1.592 10 0 ADAERN C[C@@H](O)c1cnn(CC2CC2)c1 54724558 343328151 /nfs/dbraw/zinc/32/81/51/343328151.db2.gz WWMJJFMNWXOLOU-SSDOTTSWSA-N 0 0 166.224 1.346 10 0 ADAERN CCn1ccnc1CSCCO 54743814 343328841 /nfs/dbraw/zinc/32/88/41/343328841.db2.gz LEIUFBIAJPSUAK-UHFFFAOYSA-N 0 0 186.280 1.129 10 0 ADAERN Cc1cc(CO)nc(C2CCCC2)n1 54830274 343330275 /nfs/dbraw/zinc/33/02/75/343330275.db2.gz GHIBFJTUHMMPER-UHFFFAOYSA-N 0 0 192.262 1.935 10 0 ADAERN Cc1cc(C=O)nc(N2CCCC2)n1 54830619 343330288 /nfs/dbraw/zinc/33/02/88/343330288.db2.gz CNXNYOJXMGACDZ-UHFFFAOYSA-N 0 0 191.234 1.198 10 0 ADAERN Cc1cc(C=O)nc(-c2ccncc2)n1 54830448 343330289 /nfs/dbraw/zinc/33/02/89/343330289.db2.gz DZUOCYWJLYEWBD-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN CCCc1nc(C)cc(C=O)n1 54830536 343330292 /nfs/dbraw/zinc/33/02/92/343330292.db2.gz HJYRWUNBRBOILT-UHFFFAOYSA-N 0 0 164.208 1.550 10 0 ADAERN Cc1cc(CO)nc(C2CC2)n1 54830304 343330295 /nfs/dbraw/zinc/33/02/95/343330295.db2.gz PPUWCHOZLYAPTO-UHFFFAOYSA-N 0 0 164.208 1.155 10 0 ADAERN Cc1cc(CO)nc(-c2ccco2)n1 54830264 343330300 /nfs/dbraw/zinc/33/03/00/343330300.db2.gz PONWRCBEZGEINQ-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1cc(CO)nc(CC(C)C)n1 54830305 343330301 /nfs/dbraw/zinc/33/03/01/343330301.db2.gz PXAWZJRGWXUGAD-UHFFFAOYSA-N 0 0 180.251 1.476 10 0 ADAERN O=Cc1cnc(C2CCCC2)nc1 54855246 343330302 /nfs/dbraw/zinc/33/03/02/343330302.db2.gz CQYOJWZQUJAPCI-UHFFFAOYSA-N 0 0 176.219 1.947 10 0 ADAERN O=Cc1cnc(Cc2ccncc2)nc1 54855220 343330305 /nfs/dbraw/zinc/33/03/05/343330305.db2.gz FWFUZLPWUGSKBL-UHFFFAOYSA-N 0 0 199.213 1.275 10 0 ADAERN Cc1cc(C=O)nc(C(C)(C)C)n1 54830452 343330310 /nfs/dbraw/zinc/33/03/10/343330310.db2.gz LVEWQACHLKRJEH-UHFFFAOYSA-N 0 0 178.235 1.895 10 0 ADAERN OCc1cnc(N2CCCCC2)s1 54910477 343330900 /nfs/dbraw/zinc/33/09/00/343330900.db2.gz GYTWEDASLMKSDQ-UHFFFAOYSA-N 0 0 198.291 1.626 10 0 ADAERN C[C@H](O)c1cnc(N(C)C2CC2)s1 54910819 343330907 /nfs/dbraw/zinc/33/09/07/343330907.db2.gz RYJHEPUMLONECQ-LURJTMIESA-N 0 0 198.291 1.795 10 0 ADAERN O=Cc1cnc(C[C@H]2CCCO2)nc1 54855248 343330911 /nfs/dbraw/zinc/33/09/11/343330911.db2.gz MEAADLIKASRSDW-SECBINFHSA-N 0 0 192.218 1.011 10 0 ADAERN OCc1cnc(CC(F)(F)F)nc1 54857107 343330916 /nfs/dbraw/zinc/33/09/16/343330916.db2.gz ZCVMGHSOJBOKJX-UHFFFAOYSA-N 0 0 192.140 1.074 10 0 ADAERN CN(c1ncc(C=O)s1)C1CC1 54861850 343330921 /nfs/dbraw/zinc/33/09/21/343330921.db2.gz FLHDIDACMXTSEH-UHFFFAOYSA-N 0 0 182.248 1.554 10 0 ADAERN CN(c1ncc(CO)s1)C1CC1 54910809 343330928 /nfs/dbraw/zinc/33/09/28/343330928.db2.gz XHSKPDYTVHSNBY-UHFFFAOYSA-N 0 0 184.264 1.234 10 0 ADAERN CN(C)c1nc2c(s1)[C@H](O)CCC2 54910520 343330931 /nfs/dbraw/zinc/33/09/31/343330931.db2.gz PMRGWAKBILBXLG-SSDOTTSWSA-N 0 0 198.291 1.579 10 0 ADAERN CCN(C)c1ncc(C=O)s1 54861825 343330948 /nfs/dbraw/zinc/33/09/48/343330948.db2.gz SNNLOOGYUIDEPJ-UHFFFAOYSA-N 0 0 170.237 1.412 10 0 ADAERN CCN(C)c1ncc([C@H](C)O)s1 54910781 343330950 /nfs/dbraw/zinc/33/09/50/343330950.db2.gz XHOHHBQVSMGGFV-LURJTMIESA-N 0 0 186.280 1.653 10 0 ADAERN C[C@@H]1CCCN1c1ncc(C=O)s1 54861293 343330955 /nfs/dbraw/zinc/33/09/55/343330955.db2.gz YEMZADNVSZODGA-SSDOTTSWSA-N 0 0 196.275 1.944 10 0 ADAERN CCN(C)c1nc(C)c(C=O)s1 54966777 343332633 /nfs/dbraw/zinc/33/26/33/343332633.db2.gz IAYPBALRUWRXOE-UHFFFAOYSA-N 0 0 184.264 1.720 10 0 ADAERN CSCc1ncc([C@H](C)O)c(C)n1 54963317 343332659 /nfs/dbraw/zinc/33/26/59/343332659.db2.gz WBYFLOPQVKEXOJ-ZETCQYMHSA-N 0 0 198.291 1.701 10 0 ADAERN Cc1nc(C2CC2)ncc1[C@@H](C)O 54963250 343332754 /nfs/dbraw/zinc/33/27/54/343332754.db2.gz HEJYXABRIBUVDG-SSDOTTSWSA-N 0 0 178.235 1.716 10 0 ADAERN CCc1nc(C)cc(C=O)n1 54830416 343330270 /nfs/dbraw/zinc/33/02/70/343330270.db2.gz HZECUUGSHNIVBH-UHFFFAOYSA-N 0 0 150.181 1.160 10 0 ADAERN O=Cc1cnc(C[C@@H]2CCCO2)nc1 54855247 343330271 /nfs/dbraw/zinc/33/02/71/343330271.db2.gz MEAADLIKASRSDW-VIFPVBQESA-N 0 0 192.218 1.011 10 0 ADAERN CC(C)(C)SCC(N)=O 55420366 343336087 /nfs/dbraw/zinc/33/60/87/343336087.db2.gz JBHFEPXACLVIBX-UHFFFAOYSA-N 0 0 147.243 1.003 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H](C(=O)[O-])CC1 57354188 343337179 /nfs/dbraw/zinc/33/71/79/343337179.db2.gz SVINNRCXLWQPEP-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)C[C@H](CO)O2 57348772 343337199 /nfs/dbraw/zinc/33/71/99/343337199.db2.gz JUDVLFKJQCTXIM-SCZZXKLOSA-N 0 0 194.230 1.172 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)C[C@H](CO)O2 57348769 343337202 /nfs/dbraw/zinc/33/72/02/343337202.db2.gz JUDVLFKJQCTXIM-PSASIEDQSA-N 0 0 194.230 1.172 10 0 ADAERN COC(=O)[C@@H](N)Cc1cccc(C)c1 57489018 343337610 /nfs/dbraw/zinc/33/76/10/343337610.db2.gz NHIPPLGOPVWXLR-JTQLQIEISA-N 0 0 193.246 1.038 10 0 ADAERN CC(C)Cc1ccc(CC(N)=O)cc1 57488337 343337626 /nfs/dbraw/zinc/33/76/26/343337626.db2.gz HHWNGEUSTSKRIK-UHFFFAOYSA-N 0 0 191.274 1.913 10 0 ADAERN COC(=O)[C@H](N)Cc1ccc(C)cc1 57489029 343337637 /nfs/dbraw/zinc/33/76/37/343337637.db2.gz QVZIYYPEOJATPO-SNVBAGLBSA-N 0 0 193.246 1.038 10 0 ADAERN Cc1cccc(CC(C)(CO)CO)c1 57489409 343337649 /nfs/dbraw/zinc/33/76/49/343337649.db2.gz CWNNCLJGCUQBCZ-UHFFFAOYSA-N 0 0 194.274 1.528 10 0 ADAERN COC[C@@](C)(O)c1cc(F)ccc1C 55193273 343334479 /nfs/dbraw/zinc/33/44/79/343334479.db2.gz MXZHEHBLAXSWGM-LLVKDONJSA-N 0 0 198.237 1.988 10 0 ADAERN CCc1noc(-c2csc(N)n2)n1 55189446 343334542 /nfs/dbraw/zinc/33/45/42/343334542.db2.gz KNVTUNINAFXLLE-UHFFFAOYSA-N 0 0 196.235 1.338 10 0 ADAERN Cc1nc(-c2sc(N)nc2C)n[nH]1 55176608 343334571 /nfs/dbraw/zinc/33/45/71/343334571.db2.gz LVOXUHLROFMTOY-UHFFFAOYSA-N 0 0 195.251 1.127 10 0 ADAERN COC[C@H](O)c1cc(F)cc(F)c1 55203112 343334881 /nfs/dbraw/zinc/33/48/81/343334881.db2.gz YJBFEWITUVCJOG-VIFPVBQESA-N 0 0 188.173 1.645 10 0 ADAERN COC[C@@H](O)c1ccc(F)cc1C 55203130 343334884 /nfs/dbraw/zinc/33/48/84/343334884.db2.gz GYCQKHVVZHXUPD-SNVBAGLBSA-N 0 0 184.210 1.814 10 0 ADAERN Cc1ccc(-c2nnc(N)o2)c(C)n1 55330357 343335624 /nfs/dbraw/zinc/33/56/24/343335624.db2.gz ZLASPTJRFVWLGD-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN O=C(c1cccs1)[C@H]1COCCO1 55298013 343335703 /nfs/dbraw/zinc/33/57/03/343335703.db2.gz XYMCMBQLNCBCQF-SSDOTTSWSA-N 0 0 198.243 1.346 10 0 ADAERN O=C(c1cccs1)[C@@H]1COCCO1 55298011 343335720 /nfs/dbraw/zinc/33/57/20/343335720.db2.gz XYMCMBQLNCBCQF-ZETCQYMHSA-N 0 0 198.243 1.346 10 0 ADAERN O[C@H](C1=CCCCC1)[C@@H]1COCCO1 55303629 343335753 /nfs/dbraw/zinc/33/57/53/343335753.db2.gz PFXSADKHKUGSCC-WDEREUQCSA-N 0 0 198.262 1.263 10 0 ADAERN CC(C)c1nnc([C@H]2COCCO2)[nH]1 55302530 343335754 /nfs/dbraw/zinc/33/57/54/343335754.db2.gz SRXANKSXAGZIJZ-SSDOTTSWSA-N 0 0 197.238 1.016 10 0 ADAERN CC(C)c1nnc([C@@H]2COCCO2)[nH]1 55302528 343335758 /nfs/dbraw/zinc/33/57/58/343335758.db2.gz SRXANKSXAGZIJZ-ZETCQYMHSA-N 0 0 197.238 1.016 10 0 ADAERN O[C@@H](C1=CCCCC1)[C@@H]1COCCO1 55303627 343335761 /nfs/dbraw/zinc/33/57/61/343335761.db2.gz PFXSADKHKUGSCC-QWRGUYRKSA-N 0 0 198.262 1.263 10 0 ADAERN CC[C@@H]1Oc2ccc(F)cc2NC1=O 58235327 343338939 /nfs/dbraw/zinc/33/89/39/343338939.db2.gz GGXBHPBRRFYSNG-QMMMGPOBSA-N 0 0 195.193 1.935 10 0 ADAERN CCc1nc(Cl)cc(OC)n1 58047698 343338967 /nfs/dbraw/zinc/33/89/67/343338967.db2.gz SQNCDDNTLHVPRR-UHFFFAOYSA-N 0 0 172.615 1.701 10 0 ADAERN CC[C@H]1Oc2ccc(F)cc2NC1=O 58235325 343339231 /nfs/dbraw/zinc/33/92/31/343339231.db2.gz GGXBHPBRRFYSNG-MRVPVSSYSA-N 0 0 195.193 1.935 10 0 ADAERN C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)C(=O)[O-] 58852616 343341459 /nfs/dbraw/zinc/34/14/59/343341459.db2.gz LYIRIKWODSUPAU-OPRDCNLKSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](C)C(=O)[O-] 58852612 343341477 /nfs/dbraw/zinc/34/14/77/343341477.db2.gz LYIRIKWODSUPAU-UTLUCORTSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H](C)c1nc(C=O)c[nH]1 59071808 343341880 /nfs/dbraw/zinc/34/18/80/343341880.db2.gz PLWHDAMMBAERFI-ZCFIWIBFSA-N 0 0 152.197 1.736 10 0 ADAERN CC(=O)C[C@@H]1CCC[C@H]1O 59106410 343342098 /nfs/dbraw/zinc/34/20/98/343342098.db2.gz LIGMLSZSITZQQY-JGVFFNPUSA-N 0 0 142.198 1.127 10 0 ADAERN CCC[C@H]1CC(=O)CO1 59106742 343342342 /nfs/dbraw/zinc/34/23/42/343342342.db2.gz RSIDUYVOSCDRLC-ZETCQYMHSA-N 0 0 128.171 1.145 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccccc1F 57937666 343338029 /nfs/dbraw/zinc/33/80/29/343338029.db2.gz MJAKNMQWVLSZKA-IMTBSYHQSA-N 0 0 197.209 1.546 10 0 ADAERN Cc1cccc([C@H]([NH3+])[C@@H](C)C(=O)[O-])c1 57937331 343338210 /nfs/dbraw/zinc/33/82/10/343338210.db2.gz XTLKBNKSPYROKM-PSASIEDQSA-N 0 0 193.246 1.716 10 0 ADAERN C[C@]([NH3+])(CC(=O)[O-])c1ccccc1 57936145 343338266 /nfs/dbraw/zinc/33/82/66/343338266.db2.gz JUBVPJBQVAGHHH-JTQLQIEISA-N 0 0 179.219 1.335 10 0 ADAERN O=C1C=CC(=O)N1Cc1ccsc1 58003717 343338605 /nfs/dbraw/zinc/33/86/05/343338605.db2.gz LMQAQDBVPSSREY-UHFFFAOYSA-N 0 0 193.227 1.173 10 0 ADAERN c1csc(Cn2cccn2)c1 59356721 343344175 /nfs/dbraw/zinc/34/41/75/343344175.db2.gz LHMPIQOCFYQYAY-UHFFFAOYSA-N 0 0 164.233 1.993 10 0 ADAERN C/C(=C\[C@@H]1CCCC[NH2+]1)C(=O)[O-] 59339967 343344188 /nfs/dbraw/zinc/34/41/88/343344188.db2.gz GYJOIANPPCBWJC-CZEYKFRCSA-N 0 0 169.224 1.159 10 0 ADAERN CCC[C@@H](CC)NO 59479843 343345010 /nfs/dbraw/zinc/34/50/10/343345010.db2.gz NWICVCMFTBINCD-ZCFIWIBFSA-N 0 0 117.192 1.544 10 0 ADAERN COC[C@@H](C)C[C@@H](C)O 59495657 343345011 /nfs/dbraw/zinc/34/50/11/343345011.db2.gz KJGRQFRVQKIODS-NKWVEPMBSA-N 0 0 132.203 1.040 10 0 ADAERN OCc1noc(Cc2ccccc2)n1 59518712 343345376 /nfs/dbraw/zinc/34/53/76/343345376.db2.gz FVVVSKHGTLMBIW-UHFFFAOYSA-N 0 0 190.202 1.153 10 0 ADAERN NOC1CCCCCC1 59496896 343345380 /nfs/dbraw/zinc/34/53/80/343345380.db2.gz HUFRFGUWEJJANL-UHFFFAOYSA-N 0 0 129.203 1.600 10 0 ADAERN C=Cc1cnc(C)c(O)c1C=O 59544871 343345758 /nfs/dbraw/zinc/34/57/58/343345758.db2.gz RLJAJGVDWBYFRY-UHFFFAOYSA-N 0 0 163.176 1.551 10 0 ADAERN OCc1csc(-c2cnccn2)n1 59570197 343345823 /nfs/dbraw/zinc/34/58/23/343345823.db2.gz FEZRHXOTTFDURA-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN COc1c(N)ccc(N)c1C 59591720 343346173 /nfs/dbraw/zinc/34/61/73/343346173.db2.gz LDXVZFQIUCVKAM-UHFFFAOYSA-N 0 0 152.197 1.168 10 0 ADAERN Clc1ccno1 59608309 343346192 /nfs/dbraw/zinc/34/61/92/343346192.db2.gz LTHWVQBXZGNMGK-UHFFFAOYSA-N 0 0 103.508 1.328 10 0 ADAERN C/C(=C/[C@H]1CCCC[NH2+]1)C(=O)[O-] 59576182 343346201 /nfs/dbraw/zinc/34/62/01/343346201.db2.gz GYJOIANPPCBWJC-NFXKFNAJSA-N 0 0 169.224 1.159 10 0 ADAERN CC(C)(O)CCc1cccnc1 59607746 343346202 /nfs/dbraw/zinc/34/62/02/343346202.db2.gz AMRQLIGMMOQYHI-UHFFFAOYSA-N 0 0 165.236 1.785 10 0 ADAERN N#C[C@@H]1C[C@H]2CCCC[C@H]2N1 59580836 343346207 /nfs/dbraw/zinc/34/62/07/343346207.db2.gz KBEPDSPHSYTPPZ-HRDYMLBCSA-N 0 0 150.225 1.431 10 0 ADAERN CNC(=O)Nc1cccs1 59621223 343346598 /nfs/dbraw/zinc/34/65/98/343346598.db2.gz XWSUMMZLTPWKHS-UHFFFAOYSA-N 0 0 156.210 1.499 10 0 ADAERN COc1c(O)ccc(N)c1C 59636737 343346600 /nfs/dbraw/zinc/34/66/00/343346600.db2.gz SSFMEKOGIMXODU-UHFFFAOYSA-N 0 0 153.181 1.291 10 0 ADAERN Cc1[nH]nc(N)c1-c1ccccn1 59731298 343347304 /nfs/dbraw/zinc/34/73/04/343347304.db2.gz DADSTXKPVFKTSP-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CCc1ccccc1CNO 59704868 343347314 /nfs/dbraw/zinc/34/73/14/343347314.db2.gz KFNSQOUAPMZPAM-UHFFFAOYSA-N 0 0 151.209 1.728 10 0 ADAERN C/C(=C/C(C)(C)C)C(N)=O 59867314 343348339 /nfs/dbraw/zinc/34/83/39/343348339.db2.gz QJUCCGSXGKTYBT-WAYWQWQTSA-N 0 0 141.214 1.464 10 0 ADAERN C[C@@H]1CCN(C#N)[C@H](C)C1 59879870 343348376 /nfs/dbraw/zinc/34/83/76/343348376.db2.gz QRHDVQOUGKGKHD-HTQZYQBOSA-N 0 0 138.214 1.588 10 0 ADAERN CCc1cc(CC)n2nccc2n1 59917493 343348691 /nfs/dbraw/zinc/34/86/91/343348691.db2.gz JOBXLLRCQGJXHL-UHFFFAOYSA-N 0 0 175.235 1.854 10 0 ADAERN CC(C)NC(=O)NCC(F)(F)F 59942307 343349378 /nfs/dbraw/zinc/34/93/78/343349378.db2.gz DCZPOTXBGCZNQL-UHFFFAOYSA-N 0 0 184.161 1.256 10 0 ADAERN O=Cc1cccn1C[C@@H]1CCOC1 61147629 343355566 /nfs/dbraw/zinc/35/55/66/343355566.db2.gz NTTTXVLNQBNOGJ-VIFPVBQESA-N 0 0 179.219 1.337 10 0 ADAERN c1ccn(C[C@H]2CCOC2)c1 61147642 343355704 /nfs/dbraw/zinc/35/57/04/343355704.db2.gz ADTBLYOVDQOBLL-SECBINFHSA-N 0 0 151.209 1.525 10 0 ADAERN OC1(c2ccc3nccnc3c2)CC1 61439599 343356658 /nfs/dbraw/zinc/35/66/58/343356658.db2.gz LCZPRBKDEUXDMA-UHFFFAOYSA-N 0 0 186.214 1.611 10 0 ADAERN CCc1nnc([C@H](N)CC)o1 61497102 343356661 /nfs/dbraw/zinc/35/66/61/343356661.db2.gz YEOLZGDPJFTTRQ-RXMQYKEDSA-N 0 0 155.201 1.042 10 0 ADAERN COc1ncccc1C1(O)CC1 61446955 343356665 /nfs/dbraw/zinc/35/66/65/343356665.db2.gz ZBSVQODYTIOCLY-UHFFFAOYSA-N 0 0 165.192 1.072 10 0 ADAERN CCc1nnc([C@@H](N)CC)o1 61497105 343356673 /nfs/dbraw/zinc/35/66/73/343356673.db2.gz YEOLZGDPJFTTRQ-YFKPBYRVSA-N 0 0 155.201 1.042 10 0 ADAERN COc1ncccc1-c1n[nH]c(C)n1 61445010 343356676 /nfs/dbraw/zinc/35/66/76/343356676.db2.gz YTBKZLVTPZQSHB-UHFFFAOYSA-N 0 0 190.206 1.184 10 0 ADAERN NNCC1(c2ccccc2)CC1 61617711 343357980 /nfs/dbraw/zinc/35/79/80/343357980.db2.gz DFGRKRIURCJWQK-UHFFFAOYSA-N 0 0 162.236 1.182 10 0 ADAERN CC(C)(C)C(=O)Cn1ccc(=O)cc1 61628092 343357981 /nfs/dbraw/zinc/35/79/81/343357981.db2.gz PMHNKHBJJMUVKG-UHFFFAOYSA-N 0 0 193.246 1.464 10 0 ADAERN C[C@H](C1CC1)n1c(=O)[nH][nH]c1=S 61591186 343357986 /nfs/dbraw/zinc/35/79/86/343357986.db2.gz DSBRSEASFXEHLR-SCSAIBSYSA-N 0 0 185.252 1.205 10 0 ADAERN C[C@@H](C1CC1)n1c(=O)[nH][nH]c1=S 61591185 343357994 /nfs/dbraw/zinc/35/79/94/343357994.db2.gz DSBRSEASFXEHLR-BYPYZUCNSA-N 0 0 185.252 1.205 10 0 ADAERN CC1(C)C[C@@H]1n1c(=O)[nH][nH]c1=S 61591320 343357997 /nfs/dbraw/zinc/35/79/97/343357997.db2.gz OXIHJEKNRBJRFN-BYPYZUCNSA-N 0 0 185.252 1.205 10 0 ADAERN O=c1[nH][nH]c(=S)n1C1CCCC1 61591633 343358000 /nfs/dbraw/zinc/35/80/00/343358000.db2.gz PEEYWBHFRULOPD-UHFFFAOYSA-N 0 0 185.252 1.349 10 0 ADAERN CC(C)[C@H](C)n1c(=O)[nH][nH]c1=S 61591505 343358002 /nfs/dbraw/zinc/35/80/02/343358002.db2.gz QLSZDENXHIZLTA-YFKPBYRVSA-N 0 0 187.268 1.451 10 0 ADAERN CNc1ccc(Cl)c(CN(C)C)n1 61630796 343358018 /nfs/dbraw/zinc/35/80/18/343358018.db2.gz WGXLROXVIYDKOC-UHFFFAOYSA-N 0 0 199.685 1.838 10 0 ADAERN CC(C)c1nc(-c2ccnn2C)n[nH]1 61665593 343358284 /nfs/dbraw/zinc/35/82/84/343358284.db2.gz FZNFETCLTUORAT-UHFFFAOYSA-N 0 0 191.238 1.329 10 0 ADAERN C[C@H](C(N)=O)n1ncc2ccccc21 61679590 343359463 /nfs/dbraw/zinc/35/94/63/343359463.db2.gz IVHWUORNDQEMNC-SSDOTTSWSA-N 0 0 189.218 1.083 10 0 ADAERN C[C@H](O[C@H]1CCC[C@@H](C)C1)C(N)=O 61679843 343359721 /nfs/dbraw/zinc/35/97/21/343359721.db2.gz KZWDXYDZJCPRAL-VGMNWLOBSA-N 0 0 185.267 1.456 10 0 ADAERN CC(C)c1nccn1[C@H](C)C(N)=O 61679554 343359823 /nfs/dbraw/zinc/35/98/23/343359823.db2.gz ZCQRTSPHWCMGDE-SSDOTTSWSA-N 0 0 181.239 1.053 10 0 ADAERN CSc1ccc(F)cn1 60248135 343352152 /nfs/dbraw/zinc/35/21/52/343352152.db2.gz RLVTVMZUJVVFNL-UHFFFAOYSA-N 0 0 143.186 1.943 10 0 ADAERN c1ccn(C[C@@H]2CCOC2)c1 61147641 343355556 /nfs/dbraw/zinc/35/55/56/343355556.db2.gz ADTBLYOVDQOBLL-VIFPVBQESA-N 0 0 151.209 1.525 10 0 ADAERN CC(C)Oc1ccnc(C(N)=S)c1 61813421 343363914 /nfs/dbraw/zinc/36/39/14/343363914.db2.gz IPOCLWQXYDJCLT-UHFFFAOYSA-N 0 0 196.275 1.503 10 0 ADAERN CCN(C)c1ccnc(C(N)=S)c1 61812443 343363935 /nfs/dbraw/zinc/36/39/35/343363935.db2.gz FYFUGVOQTARNFS-UHFFFAOYSA-N 0 0 195.291 1.172 10 0 ADAERN CC(C)Nc1ccnc(C(N)=S)c1 61811801 343363945 /nfs/dbraw/zinc/36/39/45/343363945.db2.gz MSAKTRQLXJDUMF-UHFFFAOYSA-N 0 0 195.291 1.536 10 0 ADAERN NC(=S)c1ncn(C2CCCC2)n1 61843298 343365227 /nfs/dbraw/zinc/36/52/27/343365227.db2.gz CYIDHPPWUSROMX-UHFFFAOYSA-N 0 0 196.279 1.027 10 0 ADAERN C=CS(=O)(=O)c1ccccc1OC 61844230 343365387 /nfs/dbraw/zinc/36/53/87/343365387.db2.gz HZWNHLXFBYEBCI-UHFFFAOYSA-N 0 0 198.243 1.612 10 0 ADAERN c1nc(-c2nc3c(s2)CCC3)n[nH]1 61844260 343365390 /nfs/dbraw/zinc/36/53/90/343365390.db2.gz BVRNCVHIXOEZHB-UHFFFAOYSA-N 0 0 192.247 1.417 10 0 ADAERN O[C@H](CC1CCOCC1)C(F)(F)F 61893869 343366599 /nfs/dbraw/zinc/36/65/99/343366599.db2.gz DUXQTLYIHHXJLP-SSDOTTSWSA-N 0 0 198.184 1.726 10 0 ADAERN C=CC(=O)NCc1ccc(C)nc1 62053538 343370050 /nfs/dbraw/zinc/37/00/50/343370050.db2.gz AFFJCJHXBJEUDH-UHFFFAOYSA-N 0 0 176.219 1.192 10 0 ADAERN CCc1c([C@@H]2CCCOC2)noc1N 62238188 343372861 /nfs/dbraw/zinc/37/28/61/343372861.db2.gz WAPGQGAQODCLOP-SSDOTTSWSA-N 0 0 196.250 1.713 10 0 ADAERN CC(C)c1nnc([C@H]2CCCOC2)[nH]1 62238480 343372890 /nfs/dbraw/zinc/37/28/90/343372890.db2.gz SNMHUCKQJLYPFI-QMMMGPOBSA-N 0 0 195.266 1.822 10 0 ADAERN O[C@@H](C1=CCCC1)[C@H]1CCCOC1 62240267 343372984 /nfs/dbraw/zinc/37/29/84/343372984.db2.gz WAGOVQBUAMSSIP-QWRGUYRKSA-N 0 0 182.263 1.884 10 0 ADAERN Cc1c([C@H]2CCCOC2)noc1N 62238149 343373016 /nfs/dbraw/zinc/37/30/16/343373016.db2.gz PEXLSCMNPOHDAB-ZETCQYMHSA-N 0 0 182.223 1.459 10 0 ADAERN CCCc1nnc([C@H]2CCCOC2)[nH]1 62238487 343373018 /nfs/dbraw/zinc/37/30/18/343373018.db2.gz AGGOEELLJSVPMK-QMMMGPOBSA-N 0 0 195.266 1.651 10 0 ADAERN CCCc1nnc([C@@H]2CCCOC2)[nH]1 62238483 343373022 /nfs/dbraw/zinc/37/30/22/343373022.db2.gz AGGOEELLJSVPMK-MRVPVSSYSA-N 0 0 195.266 1.651 10 0 ADAERN O[C@H](C1=CCCC1)[C@H]1CCCOC1 62240271 343373034 /nfs/dbraw/zinc/37/30/34/343373034.db2.gz WAGOVQBUAMSSIP-WDEREUQCSA-N 0 0 182.263 1.884 10 0 ADAERN Cc1ccc(N)cc1N1CC[C@H](O)C1 61709429 343362063 /nfs/dbraw/zinc/36/20/63/343362063.db2.gz WUZKSAFTUUFIJF-JTQLQIEISA-N 0 0 192.262 1.148 10 0 ADAERN CC(C)Nc1nccn(C(C)C)c1=O 61761967 343363181 /nfs/dbraw/zinc/36/31/81/343363181.db2.gz ZDBMQBSNMKJCHS-UHFFFAOYSA-N 0 0 195.266 1.645 10 0 ADAERN CCc1nc(C=O)sc1C 61798358 343363407 /nfs/dbraw/zinc/36/34/07/343363407.db2.gz FDWABMZVEGPXSL-UHFFFAOYSA-N 0 0 155.222 1.826 10 0 ADAERN CCn1ccnc(N[C@@H]2C[C@@H]2C)c1=O 61766559 343363408 /nfs/dbraw/zinc/36/34/08/343363408.db2.gz NGGNMYBXJBYHJW-JGVFFNPUSA-N 0 0 193.250 1.084 10 0 ADAERN Cc1cccc2c1OCCC(=O)N2 62519579 343374338 /nfs/dbraw/zinc/37/43/38/343374338.db2.gz RHTFZKVIEMXCJH-UHFFFAOYSA-N 0 0 177.203 1.716 10 0 ADAERN O=C(Nc1cnoc1)c1cscn1 62663889 343377452 /nfs/dbraw/zinc/37/74/52/343377452.db2.gz JZEVBOHOYRHDNC-UHFFFAOYSA-N 0 0 195.203 1.383 10 0 ADAERN Cc1ccc(F)cc1CNN 62665161 343377459 /nfs/dbraw/zinc/37/74/59/343377459.db2.gz ULKKXJSWGKESBP-UHFFFAOYSA-N 0 0 154.188 1.097 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Nc1ccncc1N 62725693 343378801 /nfs/dbraw/zinc/37/88/01/343378801.db2.gz OJZSXBHCRRUBHV-NKWVEPMBSA-N 0 0 191.234 1.258 10 0 ADAERN Cc1c(N)cccc1SCCO 62725597 343378851 /nfs/dbraw/zinc/37/88/51/343378851.db2.gz NKVLORHQEMAXHI-UHFFFAOYSA-N 0 0 183.276 1.662 10 0 ADAERN Cc1c(N)cccc1N1CC[C@H](O)C1 62725497 343379018 /nfs/dbraw/zinc/37/90/18/343379018.db2.gz NFYOVYQEPYCLPQ-VIFPVBQESA-N 0 0 192.262 1.148 10 0 ADAERN C[N@H+](C1CC1)[C@@H]1CCCC[C@@H]1C(=O)[O-] 62751201 343379261 /nfs/dbraw/zinc/37/92/61/343379261.db2.gz FUSCOEGAORRETH-VHSXEESVSA-N 0 0 197.278 1.724 10 0 ADAERN c1n[nH]cc1-c1nnc(C2CC2)[nH]1 62778003 343379638 /nfs/dbraw/zinc/37/96/38/343379638.db2.gz LHBRVFUJKLCLNG-UHFFFAOYSA-N 0 0 175.195 1.072 10 0 ADAERN Cc1cccnc1-c1nc(CO)c[nH]1 62820543 343382562 /nfs/dbraw/zinc/38/25/62/343382562.db2.gz PIBYHIIFAWRCEV-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN CC[C@@H](C)C1CC(=O)NC(=O)C1 62950944 343388141 /nfs/dbraw/zinc/38/81/41/343388141.db2.gz WUCRYSYHGKJINC-ZCFIWIBFSA-N 0 0 169.224 1.085 10 0 ADAERN NC(=S)N1CCC2(CCCC2)CC1 62955290 343388170 /nfs/dbraw/zinc/38/81/70/343388170.db2.gz FTAFLPZNKNJXEX-UHFFFAOYSA-N 0 0 198.335 1.886 10 0 ADAERN CC(C)(C)NC(=N)c1ccco1 62994850 343395768 /nfs/dbraw/zinc/39/57/68/343395768.db2.gz IDXGVGRGBFAUGW-UHFFFAOYSA-N 0 0 166.224 1.993 10 0 ADAERN CCC[C@H](C)C1CC(=O)NC(=O)C1 62950960 343388129 /nfs/dbraw/zinc/38/81/29/343388129.db2.gz HEXONIYAALFZDH-ZETCQYMHSA-N 0 0 183.251 1.475 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1CCCC1(C)C 63067567 343400645 /nfs/dbraw/zinc/40/06/45/343400645.db2.gz PRNCVHUCWQLUDQ-ZETCQYMHSA-N 0 0 171.240 1.334 10 0 ADAERN Cc1cccc(-c2nsc(N)n2)n1 67173654 343410459 /nfs/dbraw/zinc/41/04/59/343410459.db2.gz PMBBZGJDZUBVQB-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC(C)[C@H](O)c1ccoc1 68890743 343412787 /nfs/dbraw/zinc/41/27/87/343412787.db2.gz RKEIMKJIZBUNGV-QMMMGPOBSA-N 0 0 140.182 1.969 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1NCC[NH3+] 63059772 343399175 /nfs/dbraw/zinc/39/91/75/343399175.db2.gz LXJSPLJQLOHCLZ-UHFFFAOYSA-N 0 0 194.234 1.064 10 0 ADAERN O[C@@H](c1ccco1)[C@@H]1CCCOC1 68979279 343418499 /nfs/dbraw/zinc/41/84/99/343418499.db2.gz CIYAHPVWTNRMRH-PSASIEDQSA-N 0 0 182.219 1.740 10 0 ADAERN CN[C@@H](c1ccccn1)c1ccco1 68979686 343418796 /nfs/dbraw/zinc/41/87/96/343418796.db2.gz WZQQAXRZVHLBKU-NSHDSACASA-N 0 0 188.230 1.983 10 0 ADAERN O[C@H](Cc1ccccn1)c1ccco1 68979463 343419019 /nfs/dbraw/zinc/41/90/19/343419019.db2.gz YXADQIZKBDOMEM-SNVBAGLBSA-N 0 0 189.214 1.951 10 0 ADAERN CSCCCNc1cccnn1 69012755 343420631 /nfs/dbraw/zinc/42/06/31/343420631.db2.gz VRCKQDOWHDEAIH-UHFFFAOYSA-N 0 0 183.280 1.642 10 0 ADAERN Cn1nccc1[C@@H](O)C[C@@H]1CCCO1 69019902 343421654 /nfs/dbraw/zinc/42/16/54/343421654.db2.gz NJYRYEXPHOMTJK-WPRPVWTQSA-N 0 0 196.250 1.023 10 0 ADAERN Cn1nccc1C(=O)c1ccco1 69019835 343421733 /nfs/dbraw/zinc/42/17/33/343421733.db2.gz HGNZWPXSVRAAIL-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN CCC[C@@H](O)c1nccn1C 69028373 343422830 /nfs/dbraw/zinc/42/28/30/343422830.db2.gz FBXPRTWYPYHICU-SSDOTTSWSA-N 0 0 154.213 1.254 10 0 ADAERN CC(C)C[C@@H](O)c1nccn1C 69028386 343422842 /nfs/dbraw/zinc/42/28/42/343422842.db2.gz WZJIHFOUBZYHAS-MRVPVSSYSA-N 0 0 168.240 1.500 10 0 ADAERN CC[C@@H](C)C(=O)c1nccn1C 69028644 343422843 /nfs/dbraw/zinc/42/28/43/343422843.db2.gz BEAOYJPXKUHHGK-SSDOTTSWSA-N 0 0 166.224 1.649 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1nccn1C 69028214 343422852 /nfs/dbraw/zinc/42/28/52/343422852.db2.gz FLHCHXQDMGFZKA-HTQZYQBOSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1ccnc1[C@H]1CCCCC[C@@H]1O 69030006 343422855 /nfs/dbraw/zinc/42/28/55/343422855.db2.gz OYYNEPCIHYZPBI-UWVGGRQHSA-N 0 0 194.278 1.829 10 0 ADAERN Cn1ccnc1[C@@H]1CCCCC[C@H]1O 69030010 343422889 /nfs/dbraw/zinc/42/28/89/343422889.db2.gz OYYNEPCIHYZPBI-NXEZZACHSA-N 0 0 194.278 1.829 10 0 ADAERN Cn1ccnc1[C@H](O)C(C)(C)C 69028490 343422967 /nfs/dbraw/zinc/42/29/67/343422967.db2.gz YWGKGXOCVOOJPM-ZETCQYMHSA-N 0 0 168.240 1.500 10 0 ADAERN Nc1ccc(-c2cnccn2)cc1F 69048763 343423736 /nfs/dbraw/zinc/42/37/36/343423736.db2.gz BRROJNNMWOKAPB-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN O=Cc1nc(-c2cccnc2)c[nH]1 68890815 343413206 /nfs/dbraw/zinc/41/32/06/343413206.db2.gz KYVJTQLBJVIXFF-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN CC(C)[C@@H](O)C1CCOCC1 68890790 343413213 /nfs/dbraw/zinc/41/32/13/343413213.db2.gz LTYRSFWXJFMHSP-SECBINFHSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)[C@@H](O)c1ccoc1 68890744 343413252 /nfs/dbraw/zinc/41/32/52/343413252.db2.gz RKEIMKJIZBUNGV-MRVPVSSYSA-N 0 0 140.182 1.969 10 0 ADAERN CCC[C@@H](O)C1CCOCC1 68890768 343413253 /nfs/dbraw/zinc/41/32/53/343413253.db2.gz KDQAFWUSFFDFSE-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cc(C)n(CC(=O)C2CC2)n1 68897771 343413718 /nfs/dbraw/zinc/41/37/18/343413718.db2.gz STEVHPANFBWMTN-UHFFFAOYSA-N 0 0 178.235 1.479 10 0 ADAERN Cc1nccn1CC(=O)C1CC1 68897743 343413743 /nfs/dbraw/zinc/41/37/43/343413743.db2.gz IWICXWCVWYJADR-UHFFFAOYSA-N 0 0 164.208 1.171 10 0 ADAERN C[C@H]1CN(CC(=O)C2CC2)C[C@@H](C)O1 68894095 343413745 /nfs/dbraw/zinc/41/37/45/343413745.db2.gz PPCQHVIWEQTPBY-DTORHVGOSA-N 0 0 197.278 1.075 10 0 ADAERN Cc1cccn(CC(=O)C2CC2)c1=O 68900890 343414599 /nfs/dbraw/zinc/41/45/99/343414599.db2.gz NUAOORGQQODXFR-UHFFFAOYSA-N 0 0 191.230 1.136 10 0 ADAERN CCCOC[C@H](O)C1CC1 68911183 343415222 /nfs/dbraw/zinc/41/52/22/343415222.db2.gz ULVDNFWBLNGTBG-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1nn(C[C@H](O)C2CC2)c(C)c1C 68910173 343415224 /nfs/dbraw/zinc/41/52/24/343415224.db2.gz RCODGKVFZUATGE-NSHDSACASA-N 0 0 194.278 1.579 10 0 ADAERN OCc1nc(-c2cccc(F)c2)c[nH]1 68945762 343416171 /nfs/dbraw/zinc/41/61/71/343416171.db2.gz UZKJCUQYSWAZNT-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN Cc1cn(CCC(N)=O)c(C)c1C 68944391 343416246 /nfs/dbraw/zinc/41/62/46/343416246.db2.gz YDCACQUCFIYDFX-UHFFFAOYSA-N 0 0 180.251 1.289 10 0 ADAERN O=Cc1nc(-c2ccccn2)c[nH]1 68945650 343416248 /nfs/dbraw/zinc/41/62/48/343416248.db2.gz GXTLQARJQMPBJG-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN CC(C)[C@@H](C)c1n[nH]c(=S)n1N 69687949 343434719 /nfs/dbraw/zinc/43/47/19/343434719.db2.gz FRBFVABGKMSUHW-RXMQYKEDSA-N 0 0 186.284 1.414 10 0 ADAERN CC(C)[C@@H](C)c1nc(N)no1 69691098 343435156 /nfs/dbraw/zinc/43/51/56/343435156.db2.gz VGLVTLPQBYZLIS-RXMQYKEDSA-N 0 0 155.201 1.411 10 0 ADAERN CC(C)[C@H](C)c1nnc2n1CCNC2 69691365 343435677 /nfs/dbraw/zinc/43/56/77/343435677.db2.gz IBEGGTKVHRTICX-QMMMGPOBSA-N 0 0 194.282 1.141 10 0 ADAERN Cc1cn(C2CCOCC2)nc1N 69760313 343439241 /nfs/dbraw/zinc/43/92/41/343439241.db2.gz SXGXIOSYVUDBBQ-UHFFFAOYSA-N 0 0 181.239 1.125 10 0 ADAERN Cc1ccc(-n2cc(C)c(N)n2)nc1 69760427 343439567 /nfs/dbraw/zinc/43/95/67/343439567.db2.gz ZCXQUVUGQNDSNH-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC(=O)[C@H](C)N1CCSC[C@H]1C 69761212 343439775 /nfs/dbraw/zinc/43/97/75/343439775.db2.gz LLSQGAGSRMMLCE-SFYZADRCSA-N 0 0 187.308 1.401 10 0 ADAERN Cc1c(N)cccc1O[C@@H]1CCOC1 69606741 343426328 /nfs/dbraw/zinc/42/63/28/343426328.db2.gz SKHURENLOMROPB-SECBINFHSA-N 0 0 193.246 1.745 10 0 ADAERN CSc1cc(N)ccc1C(N)=O 69764621 343440657 /nfs/dbraw/zinc/44/06/57/343440657.db2.gz DIYHFNGOWFHONI-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN Cc1nn([C@H]2CCOC2)c(C)c1C=O 69624850 343426858 /nfs/dbraw/zinc/42/68/58/343426858.db2.gz SWWAQHQZDBNEJE-VIFPVBQESA-N 0 0 194.234 1.274 10 0 ADAERN Oc1cccc(O[C@H]2CCOC2)c1 69623990 343427190 /nfs/dbraw/zinc/42/71/90/343427190.db2.gz YHZUAVIAUHAODH-JTQLQIEISA-N 0 0 180.203 1.560 10 0 ADAERN Oc1ccccc1O[C@@H]1CCOC1 69623979 343427197 /nfs/dbraw/zinc/42/71/97/343427197.db2.gz BXIYNQPGNAEWNN-MRVPVSSYSA-N 0 0 180.203 1.560 10 0 ADAERN OCc1ccccc1O[C@H]1CCOC1 69623395 343427209 /nfs/dbraw/zinc/42/72/09/343427209.db2.gz CJMOIGJHDYJDFH-JTQLQIEISA-N 0 0 194.230 1.347 10 0 ADAERN CC[C@H](O)c1cnn([C@@H]2CCOC2)c1 69625114 343427758 /nfs/dbraw/zinc/42/77/58/343427758.db2.gz ZNVFGUPCZQUPLG-ZJUUUORDSA-N 0 0 196.250 1.288 10 0 ADAERN CNC(=O)C[C@@H](C)C(C)(C)C 69626695 343427761 /nfs/dbraw/zinc/42/77/61/343427761.db2.gz HXBQKIHPERBJGZ-SSDOTTSWSA-N 0 0 157.257 1.805 10 0 ADAERN CC[C@H](O)c1cnn([C@H]2CCOC2)c1 69625120 343427764 /nfs/dbraw/zinc/42/77/64/343427764.db2.gz ZNVFGUPCZQUPLG-UWVGGRQHSA-N 0 0 196.250 1.288 10 0 ADAERN CC(C)[C@H](O)c1ccncn1 69638624 343430192 /nfs/dbraw/zinc/43/01/92/343430192.db2.gz NUQRONZLUISXAG-QMMMGPOBSA-N 0 0 152.197 1.166 10 0 ADAERN CC(C)C[C@@H](O)c1ccncn1 69638610 343430394 /nfs/dbraw/zinc/43/03/94/343430394.db2.gz SUVNWBKDULXPIO-SECBINFHSA-N 0 0 166.224 1.556 10 0 ADAERN CSC[C@H](O)c1cccnc1N 69844850 343446722 /nfs/dbraw/zinc/44/67/22/343446722.db2.gz XTMJVTCTRFCOKE-ZETCQYMHSA-N 0 0 184.264 1.060 10 0 ADAERN CCC[C@H](O)c1cccnc1N 69844135 343446725 /nfs/dbraw/zinc/44/67/25/343446725.db2.gz BGXDDRUUJCOQND-QMMMGPOBSA-N 0 0 166.224 1.497 10 0 ADAERN CSC[C@@H](O)c1cccnc1N 69844852 343446730 /nfs/dbraw/zinc/44/67/30/343446730.db2.gz XTMJVTCTRFCOKE-SSDOTTSWSA-N 0 0 184.264 1.060 10 0 ADAERN CC[C@H](C)C(=O)c1cccnc1N 69844703 343446744 /nfs/dbraw/zinc/44/67/44/343446744.db2.gz KORDPVOOAQPTIA-ZETCQYMHSA-N 0 0 178.235 1.893 10 0 ADAERN CC(C)C[C@@H](O)c1cccnc1N 69844165 343446745 /nfs/dbraw/zinc/44/67/45/343446745.db2.gz GHSOXPDESPTIMK-SECBINFHSA-N 0 0 180.251 1.743 10 0 ADAERN Nc1ncccc1[C@H](O)C(F)(F)F 69844872 343446753 /nfs/dbraw/zinc/44/67/53/343446753.db2.gz WXWAUAUHBUTBJJ-YFKPBYRVSA-N 0 0 192.140 1.260 10 0 ADAERN Nc1ncccc1[C@H](N)c1ccco1 69845617 343447404 /nfs/dbraw/zinc/44/74/04/343447404.db2.gz ISISQYMJENLKLI-VIFPVBQESA-N 0 0 189.218 1.305 10 0 ADAERN Nc1ncccc1[C@@H](N)c1ccco1 69845619 343447414 /nfs/dbraw/zinc/44/74/14/343447414.db2.gz ISISQYMJENLKLI-SECBINFHSA-N 0 0 189.218 1.305 10 0 ADAERN CO[C@@H]1CCC[C@H](C(N)=S)C1 69848368 343447457 /nfs/dbraw/zinc/44/74/57/343447457.db2.gz SDPNNPGLHJXMEJ-NKWVEPMBSA-N 0 0 173.281 1.478 10 0 ADAERN O[C@@H]1CCO[C@@H](c2ccco2)C1 69850534 343447925 /nfs/dbraw/zinc/44/79/25/343447925.db2.gz MCGXLZFBSLVNAQ-VXNVDRBHSA-N 0 0 168.192 1.492 10 0 ADAERN CO[C@@H]1CCC[C@@H](n2cncn2)C1 69850239 343447985 /nfs/dbraw/zinc/44/79/85/343447985.db2.gz MRGBOIBPAXNHMD-RKDXNWHRSA-N 0 0 181.239 1.408 10 0 ADAERN Cc1ccc([C@@H]2C[C@H](O)CCO2)o1 69850543 343448022 /nfs/dbraw/zinc/44/80/22/343448022.db2.gz AHKZRFYCTISXME-SCZZXKLOSA-N 0 0 182.219 1.800 10 0 ADAERN CO[C@H]1CCC[C@H](n2cncn2)C1 69850238 343448029 /nfs/dbraw/zinc/44/80/29/343448029.db2.gz MRGBOIBPAXNHMD-IUCAKERBSA-N 0 0 181.239 1.408 10 0 ADAERN C[C@H](C1CCCC1)N1C(=O)C=CC1=O 69805271 343443806 /nfs/dbraw/zinc/44/38/06/343443806.db2.gz BXLPGIAKEWSKSK-MRVPVSSYSA-N 0 0 193.246 1.490 10 0 ADAERN Nc1cc(CC2(O)CCCC2)ccn1 69941714 343457644 /nfs/dbraw/zinc/45/76/44/343457644.db2.gz TVKASLMSFBGMDR-UHFFFAOYSA-N 0 0 192.262 1.511 10 0 ADAERN Nc1cc(Cc2ccoc2)ccn1 69942503 343457932 /nfs/dbraw/zinc/45/79/32/343457932.db2.gz MDAJKLHKQHAUFG-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1cc(Cc2cnccn2)ccn1 69942546 343457981 /nfs/dbraw/zinc/45/79/81/343457981.db2.gz BYTWVWFPMGUGPV-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Cc1cnc(N)c([C@](C)(O)C(C)C)c1 69942756 343458227 /nfs/dbraw/zinc/45/82/27/343458227.db2.gz LCJYHXJLJZDKBF-LLVKDONJSA-N 0 0 194.278 1.836 10 0 ADAERN Cc1cnc(N)c(C(C)(C)O)c1 69942750 343458278 /nfs/dbraw/zinc/45/82/78/343458278.db2.gz PJZURECYJUMFMC-UHFFFAOYSA-N 0 0 166.224 1.200 10 0 ADAERN O[C@H]1CCO[C@@H](c2ccco2)C1 69850537 343448054 /nfs/dbraw/zinc/44/80/54/343448054.db2.gz MCGXLZFBSLVNAQ-IONNQARKSA-N 0 0 168.192 1.492 10 0 ADAERN O[C@H]1CCO[C@H](c2ccco2)C1 69850535 343448057 /nfs/dbraw/zinc/44/80/57/343448057.db2.gz MCGXLZFBSLVNAQ-CBAPKCEASA-N 0 0 168.192 1.492 10 0 ADAERN C[C@@]1(c2ccco2)C[C@@H](O)CCO1 69852572 343449129 /nfs/dbraw/zinc/44/91/29/343449129.db2.gz HUFAVAPVDXLGRA-WPRPVWTQSA-N 0 0 182.219 1.666 10 0 ADAERN C[C@]1(c2cccnc2)C[C@H](O)CCO1 69852699 343449136 /nfs/dbraw/zinc/44/91/36/343449136.db2.gz NKCYBDHUOIKDTI-GHMZBOCLSA-N 0 0 193.246 1.468 10 0 ADAERN CC(C)[C@]1(C)C[C@@H](O)CCO1 69852745 343449141 /nfs/dbraw/zinc/44/91/41/343449141.db2.gz VQSYNQHYHNSFJZ-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@]1(C2CC2)C[C@@H](O)CCO1 69852719 343449147 /nfs/dbraw/zinc/44/91/47/343449147.db2.gz OTJZEVXHCFXTMW-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@]1(c2cccnc2)C[C@@H](O)CCO1 69852708 343449148 /nfs/dbraw/zinc/44/91/48/343449148.db2.gz NKCYBDHUOIKDTI-QWRGUYRKSA-N 0 0 193.246 1.468 10 0 ADAERN Cc1ccc([C@]2(C)C[C@H](O)CCO2)o1 69852791 343449150 /nfs/dbraw/zinc/44/91/50/343449150.db2.gz UKBGVKDHMAAEOW-KOLCDFICSA-N 0 0 196.246 1.975 10 0 ADAERN C[C@]1(c2ccco2)C[C@H](O)CCO1 69852566 343449154 /nfs/dbraw/zinc/44/91/54/343449154.db2.gz HUFAVAPVDXLGRA-PSASIEDQSA-N 0 0 182.219 1.666 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H](O)CCO1 69852746 343449155 /nfs/dbraw/zinc/44/91/55/343449155.db2.gz VQSYNQHYHNSFJZ-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@]1(C2CC2)C[C@H](O)CCO1 69852713 343449166 /nfs/dbraw/zinc/44/91/66/343449166.db2.gz OTJZEVXHCFXTMW-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@]1(C2CC2)C[C@@H](O)CCO1 69852716 343449169 /nfs/dbraw/zinc/44/91/69/343449169.db2.gz OTJZEVXHCFXTMW-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)[C@]1(C)C[C@H](O)CCO1 69852742 343449170 /nfs/dbraw/zinc/44/91/70/343449170.db2.gz VQSYNQHYHNSFJZ-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@]1(c2cccnc2)C[C@H](O)CCO1 69852701 343449176 /nfs/dbraw/zinc/44/91/76/343449176.db2.gz NKCYBDHUOIKDTI-MNOVXSKESA-N 0 0 193.246 1.468 10 0 ADAERN CC(C)[C@@]1(C)C[C@H](O)CCO1 69852743 343449185 /nfs/dbraw/zinc/44/91/85/343449185.db2.gz VQSYNQHYHNSFJZ-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@]1(c2ccco2)C[C@H](O)CCO1 69852568 343449188 /nfs/dbraw/zinc/44/91/88/343449188.db2.gz HUFAVAPVDXLGRA-SCZZXKLOSA-N 0 0 182.219 1.666 10 0 ADAERN C[C@]1(c2ccco2)C[C@@H](O)CCO1 69852570 343449190 /nfs/dbraw/zinc/44/91/90/343449190.db2.gz HUFAVAPVDXLGRA-WCBMZHEXSA-N 0 0 182.219 1.666 10 0 ADAERN Cc1ccc([C@@]2(C)C[C@H](O)CCO2)o1 69852793 343449195 /nfs/dbraw/zinc/44/91/95/343449195.db2.gz UKBGVKDHMAAEOW-MWLCHTKSSA-N 0 0 196.246 1.975 10 0 ADAERN CC[C@H](C)[C@]1(C)C[C@H](O)CCO1 69852498 343449204 /nfs/dbraw/zinc/44/92/04/343449204.db2.gz UDLSEKJLXUWWMZ-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ccc([C@@]2(C)C[C@@H](O)CCO2)o1 69852800 343449207 /nfs/dbraw/zinc/44/92/07/343449207.db2.gz UKBGVKDHMAAEOW-GXSJLCMTSA-N 0 0 196.246 1.975 10 0 ADAERN CC[C@H]1C[C@@H](Nc2cn[nH]c2)CCO1 69861411 343450850 /nfs/dbraw/zinc/45/08/50/343450850.db2.gz OGTZNDQKOMJJCT-WPRPVWTQSA-N 0 0 195.266 1.779 10 0 ADAERN CC[C@@H]1C[C@@H](Nc2cn[nH]c2)CCO1 69861409 343450851 /nfs/dbraw/zinc/45/08/51/343450851.db2.gz OGTZNDQKOMJJCT-WCBMZHEXSA-N 0 0 195.266 1.779 10 0 ADAERN CC[C@@H]1C[C@H](Nc2cn[nH]c2)CCO1 69861406 343450861 /nfs/dbraw/zinc/45/08/61/343450861.db2.gz OGTZNDQKOMJJCT-PSASIEDQSA-N 0 0 195.266 1.779 10 0 ADAERN CC1(C)C[C@H](Nc2cn[nH]c2)CCO1 69861400 343450869 /nfs/dbraw/zinc/45/08/69/343450869.db2.gz VSOOFOBJMWLDQM-MRVPVSSYSA-N 0 0 195.266 1.779 10 0 ADAERN C[C@H]1C[C@@H](Nc2cn[nH]c2)CCO1 69861417 343450888 /nfs/dbraw/zinc/45/08/88/343450888.db2.gz NVOHWGCPADKNCC-YUMQZZPRSA-N 0 0 181.239 1.389 10 0 ADAERN CC1(C)C[C@@H](Nc2cn[nH]c2)CCO1 69861402 343450889 /nfs/dbraw/zinc/45/08/89/343450889.db2.gz VSOOFOBJMWLDQM-QMMMGPOBSA-N 0 0 195.266 1.779 10 0 ADAERN CC[C@H]1C[C@H](Nc2cn[nH]c2)CCO1 69861408 343450902 /nfs/dbraw/zinc/45/09/02/343450902.db2.gz OGTZNDQKOMJJCT-SCZZXKLOSA-N 0 0 195.266 1.779 10 0 ADAERN C[C@@H]1C[C@H](Nc2cnn(C)c2)CCO1 69861330 343450913 /nfs/dbraw/zinc/45/09/13/343450913.db2.gz YLMSPRQFNZBXCC-RKDXNWHRSA-N 0 0 195.266 1.400 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cn[nH]c2)CCO1 69861415 343450918 /nfs/dbraw/zinc/45/09/18/343450918.db2.gz NVOHWGCPADKNCC-SFYZADRCSA-N 0 0 181.239 1.389 10 0 ADAERN CC[C@H]1C[C@H](n2nccc2N)CCO1 69891752 343451378 /nfs/dbraw/zinc/45/13/78/343451378.db2.gz UMXHOTWKSYEPOF-BDAKNGLRSA-N 0 0 195.266 1.595 10 0 ADAERN Cc1cnn([C@H]2CCO[C@@H](C)C2)c1N 69891758 343451395 /nfs/dbraw/zinc/45/13/95/343451395.db2.gz BOJISSUZXMYVQJ-IUCAKERBSA-N 0 0 195.266 1.514 10 0 ADAERN CC[C@@H]1C[C@@H](n2nccc2N)CCO1 69891753 343451404 /nfs/dbraw/zinc/45/14/04/343451404.db2.gz UMXHOTWKSYEPOF-DTWKUNHWSA-N 0 0 195.266 1.595 10 0 ADAERN CC[C@@H]1C[C@H](n2nccc2N)CCO1 69891751 343451692 /nfs/dbraw/zinc/45/16/92/343451692.db2.gz UMXHOTWKSYEPOF-RKDXNWHRSA-N 0 0 195.266 1.595 10 0 ADAERN C[C@H]1C[C@@](N)(C(F)(F)F)CCO1 69899936 343454367 /nfs/dbraw/zinc/45/43/67/343454367.db2.gz TZJROXBPZDTCEO-NTSWFWBYSA-N 0 0 183.173 1.445 10 0 ADAERN C[C@@H]1C[C@@](N)(C(F)(F)F)CCO1 69899935 343454369 /nfs/dbraw/zinc/45/43/69/343454369.db2.gz TZJROXBPZDTCEO-PHDIDXHHSA-N 0 0 183.173 1.445 10 0 ADAERN CC[C@@H]1C[C@]2(CCO1)CC(=O)CCO2 69900315 343454761 /nfs/dbraw/zinc/45/47/61/343454761.db2.gz WXOKIQAVEIGLCB-MNOVXSKESA-N 0 0 198.262 1.694 10 0 ADAERN O=Cc1cnc(-c2ccoc2)nc1 69947128 343460507 /nfs/dbraw/zinc/46/05/07/343460507.db2.gz JZTWJQUMOBHGNI-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN OC[C@@H]1CC(C2CCCC2)=NO1 69978542 343463815 /nfs/dbraw/zinc/46/38/15/343463815.db2.gz RITSPZPQYLOUGJ-QMMMGPOBSA-N 0 0 169.224 1.314 10 0 ADAERN OC[C@H]1CC(c2cccc(F)c2)=NO1 69978761 343463949 /nfs/dbraw/zinc/46/39/49/343463949.db2.gz XPZWISSXABOYSW-SECBINFHSA-N 0 0 195.193 1.311 10 0 ADAERN CSCc1nc2cc[nH]cc-2n1 69985656 343464729 /nfs/dbraw/zinc/46/47/29/343464729.db2.gz JWHQROXHVUKZCI-UHFFFAOYSA-N 0 0 179.248 1.821 10 0 ADAERN Nc1nnc([C@H]2CCSC2)s1 69985290 343464731 /nfs/dbraw/zinc/46/47/31/343464731.db2.gz BJXTWEYYHZIGND-BYPYZUCNSA-N 0 0 187.293 1.341 10 0 ADAERN S=C1N=NC([C@@H]2CCSC2)N1 69985568 343464732 /nfs/dbraw/zinc/46/47/32/343464732.db2.gz BIMDEQYRVOEEEA-SCSAIBSYSA-N 0 0 187.293 1.314 10 0 ADAERN CSCCc1nc(C)n[nH]1 69985440 343464738 /nfs/dbraw/zinc/46/47/38/343464738.db2.gz BAAMEMVDSAWCLD-UHFFFAOYSA-N 0 0 157.242 1.019 10 0 ADAERN C[C@H](N)c1nnc([C@H]2CCSC2)o1 70005454 343465523 /nfs/dbraw/zinc/46/55/23/343465523.db2.gz FKTWGCOBJBWICH-WDSKDSINSA-N 0 0 199.279 1.310 10 0 ADAERN Cn1ccc(N[C@H]2CCCOC2)n1 70013430 343466593 /nfs/dbraw/zinc/46/65/93/343466593.db2.gz OOIPNXOUKYIQFF-QMMMGPOBSA-N 0 0 181.239 1.011 10 0 ADAERN Cc1cnn([C@H]2CCCOC2)c1N 70014653 343466594 /nfs/dbraw/zinc/46/65/94/343466594.db2.gz CGBVOAYDRPECMA-QMMMGPOBSA-N 0 0 181.239 1.125 10 0 ADAERN O[C@@]1(Cc2ccccc2)CCCOC1 70017530 343467161 /nfs/dbraw/zinc/46/71/61/343467161.db2.gz OBFMBDFNSUECCB-GFCCVEGCSA-N 0 0 192.258 1.771 10 0 ADAERN O[C@]1(c2ccoc2)CCCOC1 70017503 343467168 /nfs/dbraw/zinc/46/71/68/343467168.db2.gz GVPPVGYQOIZCLT-SECBINFHSA-N 0 0 168.192 1.278 10 0 ADAERN Clc1ccc(-c2cnccn2)nn1 70025013 343467593 /nfs/dbraw/zinc/46/75/93/343467593.db2.gz YGLPZTBVBUBUMZ-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN Cc1cccnc1C1N=NC(=O)O1 70030463 343468074 /nfs/dbraw/zinc/46/80/74/343468074.db2.gz VHJPEJUUWRZRLX-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN CCC(C)(C)N1C[C@H](CO)CC1=O 70054347 343470646 /nfs/dbraw/zinc/47/06/46/343470646.db2.gz KNCMHAJQBOBVIY-MRVPVSSYSA-N 0 0 185.267 1.016 10 0 ADAERN CC[C@@H](O)c1cc(Cl)cnc1N 69943390 343458565 /nfs/dbraw/zinc/45/85/65/343458565.db2.gz GCTFKQHNSMFEAN-SSDOTTSWSA-N 0 0 186.642 1.761 10 0 ADAERN Nc1ncccc1C[C@H]1CCOC1 69944246 343459562 /nfs/dbraw/zinc/45/95/62/343459562.db2.gz XFFPABUJJFTCRT-MRVPVSSYSA-N 0 0 178.235 1.243 10 0 ADAERN CCn1cc([C@H](O)c2ccoc2)cn1 70079044 343473674 /nfs/dbraw/zinc/47/36/74/343473674.db2.gz VSCDDNCSMCXIAN-SNVBAGLBSA-N 0 0 192.218 1.578 10 0 ADAERN Cc1ccsc1-c1ccc(=O)[nH]n1 70091656 343473676 /nfs/dbraw/zinc/47/36/76/343473676.db2.gz LQANCQFVHZQDEC-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN O[C@H](c1ccoc1)c1cncc(F)c1 70079075 343473694 /nfs/dbraw/zinc/47/36/94/343473694.db2.gz KWTGFOBUZMOEAT-SNVBAGLBSA-N 0 0 193.177 1.895 10 0 ADAERN N#CN[C@@H]1COc2ccccc21 70068995 343473696 /nfs/dbraw/zinc/47/36/96/343473696.db2.gz WYLFGPIWGYGGGS-MRVPVSSYSA-N 0 0 160.176 1.191 10 0 ADAERN C=CC(=O)N[C@@H]1COc2ccccc21 70069023 343473697 /nfs/dbraw/zinc/47/36/97/343473697.db2.gz PJADZJGRWRMRBU-SECBINFHSA-N 0 0 189.214 1.422 10 0 ADAERN Clc1ccnc(-c2ccncn2)n1 70096572 343474414 /nfs/dbraw/zinc/47/44/14/343474414.db2.gz UAAAKLIFTRTUIL-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN CCC(C)(C)N1C[C@@H](CO)CC1=O 70054349 343470691 /nfs/dbraw/zinc/47/06/91/343470691.db2.gz KNCMHAJQBOBVIY-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1ccc(F)c2[nH]c(=O)ccc12 70054898 343470703 /nfs/dbraw/zinc/47/07/03/343470703.db2.gz QMUBUVOYAJOVPO-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN COc1cc(F)cc2ccc(=O)[nH]c12 70054978 343471246 /nfs/dbraw/zinc/47/12/46/343471246.db2.gz WRSBCBAGINIRIM-UHFFFAOYSA-N 0 0 193.177 1.676 10 0 ADAERN CC(=O)N[C@H](C)c1ccncc1 70218373 343479367 /nfs/dbraw/zinc/47/93/67/343479367.db2.gz VFTNPTDMTRDXJY-SSDOTTSWSA-N 0 0 164.208 1.279 10 0 ADAERN CCOC(=O)N1CCOC(C)(C)C1 70226641 343481693 /nfs/dbraw/zinc/48/16/93/343481693.db2.gz XWVWGQAERJBOPF-UHFFFAOYSA-N 0 0 187.239 1.254 10 0 ADAERN CC(C)C(=O)N[C@@H]1CCC[C@@H](O)C1 70227146 343481702 /nfs/dbraw/zinc/48/17/02/343481702.db2.gz MBSSZVDPTCOVCH-RKDXNWHRSA-N 0 0 185.267 1.062 10 0 ADAERN CCCC(=O)N[C@@H]1CCC[C@H](O)C1 70227148 343481717 /nfs/dbraw/zinc/48/17/17/343481717.db2.gz ZAYURJYVDQOPRK-BDAKNGLRSA-N 0 0 185.267 1.206 10 0 ADAERN CC(C)C(=O)N[C@H]1CCC[C@H](O)C1 70227145 343481719 /nfs/dbraw/zinc/48/17/19/343481719.db2.gz MBSSZVDPTCOVCH-IUCAKERBSA-N 0 0 185.267 1.062 10 0 ADAERN CCOC(=O)N[C@@H]1CC1(C)C 70227619 343482702 /nfs/dbraw/zinc/48/27/02/343482702.db2.gz TWUJLKDQGWIBBA-ZCFIWIBFSA-N 0 0 157.213 1.531 10 0 ADAERN O=C(Nc1cnoc1)c1ccccc1 70233225 343484701 /nfs/dbraw/zinc/48/47/01/343484701.db2.gz NCFPRJHZUKGHGS-UHFFFAOYSA-N 0 0 188.186 1.927 10 0 ADAERN CC(C)[C@@H](C)NC(=O)C(F)(F)F 70233325 343484845 /nfs/dbraw/zinc/48/48/45/343484845.db2.gz MJDSTIBEFSNMCL-RXMQYKEDSA-N 0 0 183.173 1.709 10 0 ADAERN CCONCC(C)C 70267924 343485514 /nfs/dbraw/zinc/48/55/14/343485514.db2.gz QMRKATHPYBAXTH-UHFFFAOYSA-N 0 0 117.192 1.184 10 0 ADAERN CONC(=O)/C=C/c1ccccc1C 70268082 343486072 /nfs/dbraw/zinc/48/60/72/343486072.db2.gz IBFNNGKMIMSJEA-BQYQJAHWSA-N 0 0 191.230 1.686 10 0 ADAERN CONC(=O)/C=C/c1cccc(C)c1 70268216 343486091 /nfs/dbraw/zinc/48/60/91/343486091.db2.gz QXVOEQXJOFZEAR-VOTSOKGWSA-N 0 0 191.230 1.686 10 0 ADAERN CCONC(=O)c1cccc(C)c1 70268044 343486093 /nfs/dbraw/zinc/48/60/93/343486093.db2.gz CRNFAHKUGUDADR-UHFFFAOYSA-N 0 0 179.219 1.676 10 0 ADAERN CONC(=O)c1ccc(C)s1 70268061 343486109 /nfs/dbraw/zinc/48/61/09/343486109.db2.gz HGQINGQHOABJTP-UHFFFAOYSA-N 0 0 171.221 1.348 10 0 ADAERN CC(=O)[C@@H](C)Sc1nnc(C)n1C 70130612 343474437 /nfs/dbraw/zinc/47/44/37/343474437.db2.gz JBFZLXVCKOWVNX-ZCFIWIBFSA-N 0 0 199.279 1.193 10 0 ADAERN CC[C@H]1CCC[C@](C(=O)[O-])([NH+](C)C)C1 70563665 343492396 /nfs/dbraw/zinc/49/23/96/343492396.db2.gz IRWLRSZMEFDELO-ONGXEEELSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H]1CCC[C@](C(=O)[O-])([NH+](C)C)C1 70563664 343492442 /nfs/dbraw/zinc/49/24/42/343492442.db2.gz IRWLRSZMEFDELO-KOLCDFICSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@@H]1CCCC[C@@]1([NH2+]C)C(=O)[O-] 70568542 343494204 /nfs/dbraw/zinc/49/42/04/343494204.db2.gz NDNJPSAAKQFHJV-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN O=C([O-])C1C[NH+](CC2CCCC2)C1 70569606 343494427 /nfs/dbraw/zinc/49/44/27/343494427.db2.gz DRZDCELJEIFPMV-UHFFFAOYSA-N 0 0 183.251 1.193 10 0 ADAERN C=Cc1nc(CSC)no1 70581062 343494559 /nfs/dbraw/zinc/49/45/59/343494559.db2.gz DFGXPCHXDCYCOL-UHFFFAOYSA-N 0 0 156.210 1.576 10 0 ADAERN Clc1n[nH]c(Cc2ccccn2)n1 70584121 343496623 /nfs/dbraw/zinc/49/66/23/343496623.db2.gz SPSLHKJIENTBNA-UHFFFAOYSA-N 0 0 194.625 1.444 10 0 ADAERN CC1CCC(CCNC(N)=O)CC1 70532431 343489331 /nfs/dbraw/zinc/48/93/31/343489331.db2.gz MEHUDIWWRGHOBH-UHFFFAOYSA-N 0 0 184.283 1.871 10 0 ADAERN Nc1ccc(-c2nccc(N)n2)cc1 70628895 343508190 /nfs/dbraw/zinc/50/81/90/343508190.db2.gz GMOUPRXJGDZDPB-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Cc1ccn(Cc2ccccc2N)n1 70629280 343508670 /nfs/dbraw/zinc/50/86/70/343508670.db2.gz IEJYCDMKECRPCF-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN CC1(C)CCC[C@H]([NH2+]CC(=O)[O-])C1 70628928 343508679 /nfs/dbraw/zinc/50/86/79/343508679.db2.gz PHQYKZFSYOBZBG-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1ccnn1Cc1ccccc1N 70629342 343508701 /nfs/dbraw/zinc/50/87/01/343508701.db2.gz CFTSTQSHKJAOKM-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN CC1(C)CCc2[nH]c(=O)sc2C1 70654505 343520260 /nfs/dbraw/zinc/52/02/60/343520260.db2.gz QVUCSDRKYPZVIV-UHFFFAOYSA-N 0 0 183.276 1.951 10 0 ADAERN CC1(C)CCc2[nH]c(=NN)sc2C1 70654669 343520267 /nfs/dbraw/zinc/52/02/67/343520267.db2.gz PNCIWRGNVMXWCR-UHFFFAOYSA-N 0 0 197.307 1.944 10 0 ADAERN COC(=O)C1(O)CCC(C)(C)CC1 70654662 343520296 /nfs/dbraw/zinc/52/02/96/343520296.db2.gz PMGXTFDBPSTHNN-UHFFFAOYSA-N 0 0 186.251 1.491 10 0 ADAERN CC1(C)CC[C@@H](O)[C@@H](n2ccnc2)C1 70654848 343520298 /nfs/dbraw/zinc/52/02/98/343520298.db2.gz ZUEXKZSKUIOZRR-VHSXEESVSA-N 0 0 194.278 1.995 10 0 ADAERN CO[C@H]1CC(C)(C)CC[C@H]1O 70654896 343520303 /nfs/dbraw/zinc/52/03/03/343520303.db2.gz SUWDDLKCUSUHHR-SFYZADRCSA-N 0 0 158.241 1.572 10 0 ADAERN CC1(C)CC[C@H](O)[C@@H](n2ccnc2)C1 70654847 343520385 /nfs/dbraw/zinc/52/03/85/343520385.db2.gz ZUEXKZSKUIOZRR-UWVGGRQHSA-N 0 0 194.278 1.995 10 0 ADAERN NC(=S)[C@H]1CCCN1CC(F)F 70662008 343521377 /nfs/dbraw/zinc/52/13/77/343521377.db2.gz OHYPHIWDQCLDER-RXMQYKEDSA-N 0 0 194.250 1.002 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CC[C@@H](C)C1 70763825 343529282 /nfs/dbraw/zinc/52/92/82/343529282.db2.gz NLMBPFYSAIRSGV-APPZFPTMSA-N 0 0 171.240 1.239 10 0 ADAERN CCn1ccnc1[C@@]1(O)CC[C@H](C)C1 70764423 343529301 /nfs/dbraw/zinc/52/93/01/343529301.db2.gz YQMOPOWSXQEQJZ-GXSJLCMTSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@@H]1CC[C@@](O)(c2cccnc2N)C1 70764484 343529501 /nfs/dbraw/zinc/52/95/01/343529501.db2.gz DRYMLXZTUQSFER-KCJUWKMLSA-N 0 0 192.262 1.671 10 0 ADAERN C[C@@H]1CC[C@]2(CC(=O)CCO2)C1 70767272 343529847 /nfs/dbraw/zinc/52/98/47/343529847.db2.gz JKGRBMGRSDWQPN-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN CC[C@@H]1CC[C@@H]([C@@H]2CC(=O)NC2=O)C1 70767405 343529900 /nfs/dbraw/zinc/52/99/00/343529900.db2.gz OQLYDFRUBQANGH-HLTSFMKQSA-N 0 0 195.262 1.475 10 0 ADAERN CCn1cc(C[C@@H]2CC[C@@H](O)C2)cn1 70770984 343530666 /nfs/dbraw/zinc/53/06/66/343530666.db2.gz PMOPPWRRKLVFOE-GXSJLCMTSA-N 0 0 194.278 1.607 10 0 ADAERN CCn1cc([C@@H]2CC[C@@H](O)C2)cn1 70772749 343531166 /nfs/dbraw/zinc/53/11/66/343531166.db2.gz RDDPVRBKWCUESB-PSASIEDQSA-N 0 0 180.251 1.531 10 0 ADAERN Nc1ncccc1C[C@H]1CC[C@@H](O)C1 70772380 343531167 /nfs/dbraw/zinc/53/11/67/343531167.db2.gz QNJHQMCBBAGJNC-PSASIEDQSA-N 0 0 192.262 1.367 10 0 ADAERN Nc1ncccc1C[C@H]1CC[C@H](O)C1 70772373 343531169 /nfs/dbraw/zinc/53/11/69/343531169.db2.gz QNJHQMCBBAGJNC-SCZZXKLOSA-N 0 0 192.262 1.367 10 0 ADAERN CCn1ccnc1[C@@H]1CCC[C@H](O)C1 70774077 343531172 /nfs/dbraw/zinc/53/11/72/343531172.db2.gz VTXPKAMZJHLOBM-ZJUUUORDSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@@H]1CC[C@H](c2cncc(F)c2)C1 70772415 343531176 /nfs/dbraw/zinc/53/11/76/343531176.db2.gz XPILIOREUKPYSL-OIBJUYFYSA-N 0 0 181.210 1.849 10 0 ADAERN O[C@@H]1CC[C@H](c2ccoc2)C1 70772310 343531177 /nfs/dbraw/zinc/53/11/77/343531177.db2.gz NVSHVVVLHLWCMS-IONNQARKSA-N 0 0 152.193 1.908 10 0 ADAERN O[C@@H]1CCCC[C@@H](c2cnccn2)C1 70776832 343531643 /nfs/dbraw/zinc/53/16/43/343531643.db2.gz UZIYZSJQNUJJAZ-NXEZZACHSA-N 0 0 192.262 1.885 10 0 ADAERN Cn1nccc1[C@H]1CCC[C@@H](O)C1 70774313 343531645 /nfs/dbraw/zinc/53/16/45/343531645.db2.gz UZABYTAOPLYFFC-DTWKUNHWSA-N 0 0 180.251 1.439 10 0 ADAERN O[C@H]1CCC[C@H](c2cncnc2)C1 70774614 343531657 /nfs/dbraw/zinc/53/16/57/343531657.db2.gz IXMVBJGWPVGZAZ-WPRPVWTQSA-N 0 0 178.235 1.495 10 0 ADAERN Cn1ccnc1[C@@H]1CCCC[C@@H](O)C1 70775656 343531660 /nfs/dbraw/zinc/53/16/60/343531660.db2.gz ASSONYVSYXKCPK-NXEZZACHSA-N 0 0 194.278 1.829 10 0 ADAERN CCn1cc([C@H]2CCC[C@H](O)C2)cn1 70774575 343531662 /nfs/dbraw/zinc/53/16/62/343531662.db2.gz FLCSGKNJGAFFGP-ONGXEEELSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@@H]1CCCC[C@H](c2cnccn2)C1 70776835 343531665 /nfs/dbraw/zinc/53/16/65/343531665.db2.gz UZIYZSJQNUJJAZ-VHSXEESVSA-N 0 0 192.262 1.885 10 0 ADAERN O=C1C/C(=C/c2cccs2)C(=O)N1 70675838 343523573 /nfs/dbraw/zinc/52/35/73/343523573.db2.gz FHSOEKFQNQIIAL-XQRVVYSFSA-N 0 0 193.227 1.178 10 0 ADAERN CC(C)C[C@H](C)[C@@H]1CC(=O)NC1=O 70676527 343523792 /nfs/dbraw/zinc/52/37/92/343523792.db2.gz VGWXUMLTPSTMKK-YUMQZZPRSA-N 0 0 183.251 1.331 10 0 ADAERN CC[C@@H](C)C[C@@H]1CC(=O)NC1=O 70676095 343523996 /nfs/dbraw/zinc/52/39/96/343523996.db2.gz YAVUEJOHGUMQFJ-RNFRBKRXSA-N 0 0 169.224 1.085 10 0 ADAERN Cc1ccn(CC(=O)C2CC2)n1 70685654 343524641 /nfs/dbraw/zinc/52/46/41/343524641.db2.gz ADIUEEQWZGHNMG-UHFFFAOYSA-N 0 0 164.208 1.171 10 0 ADAERN CCn1cc(Cn2ccc(C)n2)cn1 70687684 343525084 /nfs/dbraw/zinc/52/50/84/343525084.db2.gz RSJSTEAOIWVQOI-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN CC[C@H](O)[C@H](C)n1ccc(C)n1 70686217 343525087 /nfs/dbraw/zinc/52/50/87/343525087.db2.gz YAZBVKGJRWAZTL-IUCAKERBSA-N 0 0 168.240 1.523 10 0 ADAERN Cc1ccn(C[C@@H]2CCCCO2)n1 70687919 343525089 /nfs/dbraw/zinc/52/50/89/343525089.db2.gz WNHQNBRAIFHIML-JTQLQIEISA-N 0 0 180.251 1.761 10 0 ADAERN Cc1ccn(CCn2ccnc2)n1 70687974 343525094 /nfs/dbraw/zinc/52/50/94/343525094.db2.gz ZAGBLQWIXZYZEV-UHFFFAOYSA-N 0 0 176.223 1.088 10 0 ADAERN COC[C@@H](C)n1ccc(C)n1 70687719 343525096 /nfs/dbraw/zinc/52/50/96/343525096.db2.gz BAYPJBIKNMHFSJ-MRVPVSSYSA-N 0 0 154.213 1.399 10 0 ADAERN Cc1ccnn1C[C@@H](O)C(C)(C)C 70686258 343525098 /nfs/dbraw/zinc/52/50/98/343525098.db2.gz LEJDTHMRWXHSHX-SECBINFHSA-N 0 0 182.267 1.599 10 0 ADAERN Cc1ccnn1CCc1cccnc1 70688403 343525534 /nfs/dbraw/zinc/52/55/34/343525534.db2.gz OHOWWAIKRFVLKP-UHFFFAOYSA-N 0 0 187.246 1.829 10 0 ADAERN Cc1ccn(CC2CC2)n1 70688173 343525538 /nfs/dbraw/zinc/52/55/38/343525538.db2.gz SOOFFTBGFBWPJT-UHFFFAOYSA-N 0 0 136.198 1.602 10 0 ADAERN Cn1cc([C@@H]2CCCC(=O)C2)cn1 70737849 343527173 /nfs/dbraw/zinc/52/71/73/343527173.db2.gz YVQXMPAKRGFJMQ-MRVPVSSYSA-N 0 0 178.235 1.647 10 0 ADAERN Cc1cccnc1C(=O)C1CC1 70735806 343527175 /nfs/dbraw/zinc/52/71/75/343527175.db2.gz GIDSHACDBRIJGI-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN CCO[C@H](C)c1noc(Cl)n1 70832785 343535352 /nfs/dbraw/zinc/53/53/52/343535352.db2.gz ZDOYWLHCNREBQI-SCSAIBSYSA-N 0 0 176.603 1.821 10 0 ADAERN C[C@H]1CCC[C@@H]1NC(=O)n1ccnc1 70833843 343535359 /nfs/dbraw/zinc/53/53/59/343535359.db2.gz SXSUIOHMVFZNSY-IUCAKERBSA-N 0 0 193.250 1.629 10 0 ADAERN C[C@@H]1CCC[C@H]1NC(=O)n1ccnc1 70833846 343535371 /nfs/dbraw/zinc/53/53/71/343535371.db2.gz SXSUIOHMVFZNSY-RKDXNWHRSA-N 0 0 193.250 1.629 10 0 ADAERN Cc1cc(-c2nc(N)ns2)c(C)o1 70839792 343536968 /nfs/dbraw/zinc/53/69/68/343536968.db2.gz QWWWTDRTJJKYRS-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN C[C@@H]1CCC[C@@H]1n1c(N)n[nH]c1=S 70882227 343538607 /nfs/dbraw/zinc/53/86/07/343538607.db2.gz ODQBAIIGILAJKV-RITPCOANSA-N 0 0 198.295 1.884 10 0 ADAERN Cc1ccc(NC[C@@H](O)C2CC2)nc1 70886507 343538910 /nfs/dbraw/zinc/53/89/10/343538910.db2.gz GYJFHTPCBCZLQN-SNVBAGLBSA-N 0 0 192.262 1.573 10 0 ADAERN Cc1ccc(NC[C@H](O)C2CC2)nc1 70886501 343538945 /nfs/dbraw/zinc/53/89/45/343538945.db2.gz GYJFHTPCBCZLQN-JTQLQIEISA-N 0 0 192.262 1.573 10 0 ADAERN CC[C@](C)(CO)Nc1ncccc1C 70889391 343539507 /nfs/dbraw/zinc/53/95/07/343539507.db2.gz YNFGWPOZTKRTDF-LLVKDONJSA-N 0 0 194.278 1.963 10 0 ADAERN CNc1nnc(Cl)c(C)c1C 70820744 343533444 /nfs/dbraw/zinc/53/34/44/343533444.db2.gz MSNYQSLRQKNBNO-UHFFFAOYSA-N 0 0 171.631 1.789 10 0 ADAERN Cc1ccc(C)n1CCc1nnc[nH]1 70820241 343533462 /nfs/dbraw/zinc/53/34/62/343533462.db2.gz NSTXKLSWGTVXAH-UHFFFAOYSA-N 0 0 190.250 1.466 10 0 ADAERN CNc1nc(C)cc(C(C)C)n1 70950641 343543689 /nfs/dbraw/zinc/54/36/89/343543689.db2.gz JONILKQSQXKRBT-UHFFFAOYSA-N 0 0 165.240 1.950 10 0 ADAERN CC(C)(C)NC(=O)NCc1ncc[nH]1 70819899 343533480 /nfs/dbraw/zinc/53/34/80/343533480.db2.gz JFJODDJQWWSCHL-UHFFFAOYSA-N 0 0 196.254 1.007 10 0 ADAERN Cc1ccc(C)n1Cc1nc[nH]n1 70820245 343533521 /nfs/dbraw/zinc/53/35/21/343533521.db2.gz UNZPCHBTGUXVCA-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN C=CC(=O)N[C@@H]1CCC[C@H]1C 70832259 343534906 /nfs/dbraw/zinc/53/49/06/343534906.db2.gz HSNPRNGIDDKOCI-HTQZYQBOSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@H]1CCC[C@H]1N1CCC(=O)C1 70831896 343534934 /nfs/dbraw/zinc/53/49/34/343534934.db2.gz SWTJWAQCSHSNQX-WCBMZHEXSA-N 0 0 167.252 1.450 10 0 ADAERN CCO[C@@H](C)c1nc(Cl)n[nH]1 70833797 343535337 /nfs/dbraw/zinc/53/53/37/343535337.db2.gz AHDKHAIUVIZKBU-BYPYZUCNSA-N 0 0 175.619 1.556 10 0 ADAERN C[C@H]1CCC[C@H]1NC(=O)n1ccnc1 70833848 343535344 /nfs/dbraw/zinc/53/53/44/343535344.db2.gz SXSUIOHMVFZNSY-DTWKUNHWSA-N 0 0 193.250 1.629 10 0 ADAERN Cc1cc([C@@H](O)CO)ccc1F 71496497 343554728 /nfs/dbraw/zinc/55/47/28/343554728.db2.gz YXDZNTLAXLXMED-VIFPVBQESA-N 0 0 170.183 1.160 10 0 ADAERN Cc1cccc(C[C@]2(O)CCOC2)c1 70963073 343544857 /nfs/dbraw/zinc/54/48/57/343544857.db2.gz VCOPNHKYGOABFQ-GFCCVEGCSA-N 0 0 192.258 1.689 10 0 ADAERN Cc1cccc(C[C@@]2(O)CCOC2)c1 70963076 343544895 /nfs/dbraw/zinc/54/48/95/343544895.db2.gz VCOPNHKYGOABFQ-LBPRGKRZSA-N 0 0 192.258 1.689 10 0 ADAERN CCOCc1c(N)cccc1F 70962094 343544903 /nfs/dbraw/zinc/54/49/03/343544903.db2.gz BYVAXXBZPTXCNL-UHFFFAOYSA-N 0 0 169.199 1.944 10 0 ADAERN Nc1cccc(F)c1Cn1ccnc1 70961843 343544915 /nfs/dbraw/zinc/54/49/15/343544915.db2.gz YVIWCUVLWLLKOD-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN O[C@]1(c2cccc(Cl)c2)CCOC1 70962939 343544923 /nfs/dbraw/zinc/54/49/23/343544923.db2.gz RZWGTKFFZHIILW-SNVBAGLBSA-N 0 0 198.649 1.948 10 0 ADAERN CON(C)Cc1c(N)cccc1F 70961693 343544935 /nfs/dbraw/zinc/54/49/35/343544935.db2.gz NNKHKYSSKBDYKG-UHFFFAOYSA-N 0 0 184.214 1.401 10 0 ADAERN Nc1cccc(F)c1Cn1cncn1 70961835 343544945 /nfs/dbraw/zinc/54/49/45/343544945.db2.gz YUIYFWARAPLQNP-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN Cc1ccncc1N1CCC(=O)C1 70958735 343544949 /nfs/dbraw/zinc/54/49/49/343544949.db2.gz PZAQTGSWDHIMDM-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN Cc1cccc([C@@]2(O)CCOC2)c1 70963058 343544953 /nfs/dbraw/zinc/54/49/53/343544953.db2.gz WVXVRTJUNZDBHM-LLVKDONJSA-N 0 0 178.231 1.603 10 0 ADAERN Nc1cccc(F)c1Cn1cccn1 70961832 343544966 /nfs/dbraw/zinc/54/49/66/343544966.db2.gz VIARPDWBBWXPPU-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN O[C@@]1(c2cccc(F)c2)CCOC1 70963099 343544974 /nfs/dbraw/zinc/54/49/74/343544974.db2.gz GWXWHPJPZLWRIO-JTQLQIEISA-N 0 0 182.194 1.434 10 0 ADAERN O[C@@]1(c2cccc(Cl)c2)CCOC1 70962935 343544985 /nfs/dbraw/zinc/54/49/85/343544985.db2.gz RZWGTKFFZHIILW-JTQLQIEISA-N 0 0 198.649 1.948 10 0 ADAERN Cc1nc2c(c(=O)[nH]1)CCCCC2 71002641 343547196 /nfs/dbraw/zinc/54/71/96/343547196.db2.gz JTFZGLISAWFWMJ-UHFFFAOYSA-N 0 0 178.235 1.347 10 0 ADAERN O=c1[nH]cnc2c1CCCCC2 71002661 343547300 /nfs/dbraw/zinc/54/73/00/343547300.db2.gz YREMRWBPUYLAPR-UHFFFAOYSA-N 0 0 164.208 1.039 10 0 ADAERN O[C@@H]1CCC[C@H]1c1nc(C2CC2)no1 70998303 343547375 /nfs/dbraw/zinc/54/73/75/343547375.db2.gz ZSJCLTJXTPQSCE-HTQZYQBOSA-N 0 0 194.234 1.575 10 0 ADAERN Nc1ccc(N[C@@H]2CCCOC2)cn1 71012144 343548492 /nfs/dbraw/zinc/54/84/92/343548492.db2.gz HKDOCAIXMZHBBH-SECBINFHSA-N 0 0 193.250 1.255 10 0 ADAERN S=c1[nH]ncn1[C@@H]1CCCOC1 71023249 343549042 /nfs/dbraw/zinc/54/90/42/343549042.db2.gz VDXBFDSWIJFTEZ-ZCFIWIBFSA-N 0 0 185.252 1.292 10 0 ADAERN Cc1n[nH]c(=S)n1[C@H]1CCCOC1 71023238 343549071 /nfs/dbraw/zinc/54/90/71/343549071.db2.gz ARPVDIJQUPFHOG-ZETCQYMHSA-N 0 0 199.279 1.601 10 0 ADAERN Cc1nnc(Cl)n1C(C)(C)C 71052622 343550375 /nfs/dbraw/zinc/55/03/75/343550375.db2.gz YQJWNSVEAYFCAW-UHFFFAOYSA-N 0 0 173.647 1.995 10 0 ADAERN CCc1cccc(N)c1C(=O)OC 71261567 343552001 /nfs/dbraw/zinc/55/20/01/343552001.db2.gz OMMJBWVEDDPACZ-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN Fc1ncnc(Cl)c1Cl 71261591 343552022 /nfs/dbraw/zinc/55/20/22/343552022.db2.gz LPQVLPLZDZIEBD-UHFFFAOYSA-N 0 0 166.970 1.923 10 0 ADAERN Cc1ccn(-c2nc(N)cs2)n1 72192498 343559922 /nfs/dbraw/zinc/55/99/22/343559922.db2.gz YISXHJBJIUMAGE-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cccc([C@H]([NH3+])C(=O)[O-])c1F 72191054 343559985 /nfs/dbraw/zinc/55/99/85/343559985.db2.gz KLCJTGPCSYJKGK-QMMMGPOBSA-N 0 0 183.182 1.219 10 0 ADAERN Cc1nccn1-c1cccc(N)n1 72192468 343560013 /nfs/dbraw/zinc/56/00/13/343560013.db2.gz CROXMJNKFIWRHV-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccn(-c2cccc(N)n2)n1 72192471 343560183 /nfs/dbraw/zinc/56/01/83/343560183.db2.gz LSECCNHLJUZJRZ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN O=C(Cc1ccccc1)NCC1CC1 72259635 343567930 /nfs/dbraw/zinc/56/79/30/343567930.db2.gz VEGUUZVLBOWWPD-UHFFFAOYSA-N 0 0 189.258 1.755 10 0 ADAERN CC(=O)c1cc2[nH]cccc-2n1 72322216 343568887 /nfs/dbraw/zinc/56/88/87/343568887.db2.gz CKRFUWCHGXXAJY-UHFFFAOYSA-N 0 0 160.176 1.766 10 0 ADAERN Cc1[nH]nc2c1[C@@H](O)C[C@@H](C)C2 72415836 343569902 /nfs/dbraw/zinc/56/99/02/343569902.db2.gz PWBPSJIMILMSNA-XNCJUZBTSA-N 0 0 166.224 1.334 10 0 ADAERN Cc1ccc(C(=O)CN)c2cc[nH]c12 74277654 343571678 /nfs/dbraw/zinc/57/16/78/343571678.db2.gz NDNYEAOWIFAYDD-UHFFFAOYSA-N 0 0 188.230 1.618 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]Cc2cc(F)ccc21 74245348 343571688 /nfs/dbraw/zinc/57/16/88/343571688.db2.gz VWXBIIDBSDFGJO-SECBINFHSA-N 0 0 195.193 1.097 10 0 ADAERN Cc1ncc(-c2ccc(N)cn2)o1 74308834 343572332 /nfs/dbraw/zinc/57/23/32/343572332.db2.gz PZIXXZCKWMFSTK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC(C)CC(=O)N(C)C[C@H]1CCCO1 74854915 343574556 /nfs/dbraw/zinc/57/45/56/343574556.db2.gz KPZQZBTZCWAKPF-SNVBAGLBSA-N 0 0 199.294 1.670 10 0 ADAERN CCc1nc(=O)c2ccccc2o1 75279902 343576591 /nfs/dbraw/zinc/57/65/91/343576591.db2.gz RUXYBQFVBUJLCJ-UHFFFAOYSA-N 0 0 175.187 1.750 10 0 ADAERN Cc1ccc(-c2ncnc(N)n2)cc1 72416751 343570363 /nfs/dbraw/zinc/57/03/63/343570363.db2.gz SBCXNRQMXBJHNL-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccc2c(n1)CCc1c[nH]nc1-2 72416427 343570374 /nfs/dbraw/zinc/57/03/74/343570374.db2.gz WJYJLZZALMZGPX-UHFFFAOYSA-N 0 0 185.230 1.879 10 0 ADAERN C[C@H]1CC(=O)c2c[nH]cc2C1 72416534 343570375 /nfs/dbraw/zinc/57/03/75/343570375.db2.gz YHCIENLNNNYAHT-ZCFIWIBFSA-N 0 0 149.193 1.780 10 0 ADAERN CC1=CC[C@H]2C(=O)CCCC2=NN1 72416435 343570379 /nfs/dbraw/zinc/57/03/79/343570379.db2.gz AFJRFKGZRPSXNC-MRVPVSSYSA-N 0 0 178.235 1.609 10 0 ADAERN Cc1nn(C)c2c1[C@H](O)CC(C)(C)C2 72415903 343570383 /nfs/dbraw/zinc/57/03/83/343570383.db2.gz ISINRQXVIXUWGF-SECBINFHSA-N 0 0 194.278 1.734 10 0 ADAERN Cc1ccc2c(n1)CCC[C@H]2O 72416434 343570385 /nfs/dbraw/zinc/57/03/85/343570385.db2.gz VOPCVRVUCDDLTH-SNVBAGLBSA-N 0 0 163.220 1.760 10 0 ADAERN Cc1nn(C)c2c1[C@H](O)C[C@@H](C)C2 72415900 343570387 /nfs/dbraw/zinc/57/03/87/343570387.db2.gz KBHFBRLFDKGRHQ-IMTBSYHQSA-N 0 0 180.251 1.344 10 0 ADAERN Cc1nn(-c2ccccc2)ccc1=O 72416585 343570392 /nfs/dbraw/zinc/57/03/92/343570392.db2.gz CPYSRSYEVGEDDT-UHFFFAOYSA-N 0 0 186.214 1.541 10 0 ADAERN CN(C)N=c1[nH]c2ccccc2[nH]1 72416462 343570393 /nfs/dbraw/zinc/57/03/93/343570393.db2.gz XSJVACCFBGKUCA-UHFFFAOYSA-N 0 0 176.223 1.451 10 0 ADAERN Cc1ccc2c(n1)CCC[C@@H]2O 72416433 343570398 /nfs/dbraw/zinc/57/03/98/343570398.db2.gz VOPCVRVUCDDLTH-JTQLQIEISA-N 0 0 163.220 1.760 10 0 ADAERN Cc1nn(C)c2c1[C@@H](O)CCC2 72415896 343570404 /nfs/dbraw/zinc/57/04/04/343570404.db2.gz YPUOKENSSJAUEW-QMMMGPOBSA-N 0 0 166.224 1.098 10 0 ADAERN Cc1nc2c(ccc3[nH]cnc32)[nH]1 73635956 343571113 /nfs/dbraw/zinc/57/11/13/343571113.db2.gz FKZMWDZHQPUCQX-UHFFFAOYSA-N 0 0 172.191 1.748 10 0 ADAERN C[C@H]1Cc2cc(C=O)ccc2N1C=O 72417508 343571143 /nfs/dbraw/zinc/57/11/43/343571143.db2.gz MWCGEYWYLFFSTE-QMMMGPOBSA-N 0 0 189.214 1.407 10 0 ADAERN CCCC[C@@H]1CC(=O)N1 72481861 343571167 /nfs/dbraw/zinc/57/11/67/343571167.db2.gz XQZKCDJWJWYELI-ZCFIWIBFSA-N 0 0 127.187 1.065 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]Cc2cc(F)ccc21 74245347 343571628 /nfs/dbraw/zinc/57/16/28/343571628.db2.gz VWXBIIDBSDFGJO-VIFPVBQESA-N 0 0 195.193 1.097 10 0 ADAERN Cc1c(N)c(CC(C)C)nn1C 77262474 343580695 /nfs/dbraw/zinc/58/06/95/343580695.db2.gz KHFILPKHUFGAQC-UHFFFAOYSA-N 0 0 167.256 1.509 10 0 ADAERN O=C(NCCCC1CC1)N1CCCC1 78378130 343582784 /nfs/dbraw/zinc/58/27/84/343582784.db2.gz QUXGQUVHVYCMEC-UHFFFAOYSA-N 0 0 196.294 1.982 10 0 ADAERN O=COCc1ccc(F)cc1 79558112 343589096 /nfs/dbraw/zinc/58/90/96/343589096.db2.gz WWBHXYDWMMCXEY-UHFFFAOYSA-N 0 0 154.140 1.499 10 0 ADAERN Cc1ccoc1C(=O)NCC[C@@H](C)O 80112426 343590895 /nfs/dbraw/zinc/59/08/95/343590895.db2.gz UTHIMYUUMHJKAZ-MRVPVSSYSA-N 0 0 197.234 1.089 10 0 ADAERN CO[C@H](C=O)CCc1ccccc1 75568558 343577967 /nfs/dbraw/zinc/57/79/67/343577967.db2.gz MUOWFULMNBAIIY-NSHDSACASA-N 0 0 178.231 1.833 10 0 ADAERN CCC(=O)c1cc(C)c(O)cc1O 75569828 343577970 /nfs/dbraw/zinc/57/79/70/343577970.db2.gz VSTLDOFIMOMIHU-UHFFFAOYSA-N 0 0 180.203 1.999 10 0 ADAERN Cc1nc2ccc(O)cc2oc1=O 75567091 343577975 /nfs/dbraw/zinc/57/79/75/343577975.db2.gz ZRSAXNJCDCNGSJ-UHFFFAOYSA-N 0 0 177.159 1.202 10 0 ADAERN c1cnnc(NCC2CCOCC2)c1 82544983 343606282 /nfs/dbraw/zinc/60/62/82/343606282.db2.gz KHJWXSWAUNGHCH-UHFFFAOYSA-N 0 0 193.250 1.315 10 0 ADAERN COCC[C@@H](C)Nc1cccnn1 81717240 343594196 /nfs/dbraw/zinc/59/41/96/343594196.db2.gz ZOSSJCFNYNCIOB-MRVPVSSYSA-N 0 0 181.239 1.314 10 0 ADAERN Nc1cccc(-c2cnco2)n1 82405179 343601955 /nfs/dbraw/zinc/60/19/55/343601955.db2.gz PLYHCSQFQYMOBE-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Cc1nc2c(F)cccn2c1N 82695908 343610726 /nfs/dbraw/zinc/61/07/26/343610726.db2.gz LVPUHDNXNKJOIA-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN C[C@@H](O)CCNC(=O)C1(C)CCCC1 82730510 343611476 /nfs/dbraw/zinc/61/14/76/343611476.db2.gz LGFAQYBWPOUWSD-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN c1cnn(C[C@@H]2CCCCO2)c1 82614996 343608094 /nfs/dbraw/zinc/60/80/94/343608094.db2.gz QWYOGQDKSNAOMX-VIFPVBQESA-N 0 0 166.224 1.452 10 0 ADAERN Cc1cnc(C(=O)OC(C)(C)C)cn1 82671059 343609734 /nfs/dbraw/zinc/60/97/34/343609734.db2.gz CTOPBEAKXQZYOM-UHFFFAOYSA-N 0 0 194.234 1.740 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccnc(N(C)C)n1 82924310 343615146 /nfs/dbraw/zinc/61/51/46/343615146.db2.gz ASPJTLGJBFPCBA-YUMQZZPRSA-N 0 0 192.266 1.363 10 0 ADAERN COc1cc(O)ccc1/C=C\[N+](=O)[O-] 83319663 343618703 /nfs/dbraw/zinc/61/87/03/343618703.db2.gz CMUSKJNKYFRPKR-PLNGDYQASA-N 0 0 195.174 1.648 10 0 ADAERN C[S@@](=O)c1ccc(Cl)cc1N 83825080 343625059 /nfs/dbraw/zinc/62/50/59/343625059.db2.gz DEUSUILSCWCRFY-NSHDSACASA-N 0 0 189.667 1.660 10 0 ADAERN O=C1N[C@H](c2ccc(F)c(F)c2)CO1 83965772 343629577 /nfs/dbraw/zinc/62/95/77/343629577.db2.gz AIWCAYRHYGGWKF-QMMMGPOBSA-N 0 0 199.156 1.746 10 0 ADAERN C[C@@]1(c2ccc(F)cc2)COC(=O)N1 83965606 343629578 /nfs/dbraw/zinc/62/95/78/343629578.db2.gz STTMYUXRGXVZME-JTQLQIEISA-N 0 0 195.193 1.781 10 0 ADAERN CCCCC(=O)NC[C@@H]1CCC[C@@H]1O 84225644 343632115 /nfs/dbraw/zinc/63/21/15/343632115.db2.gz KCQWBPUHCRYJDC-UWVGGRQHSA-N 0 0 199.294 1.454 10 0 ADAERN O=C(NC[C@@H]1CCC[C@@H]1O)C1CCC1 84225139 343632278 /nfs/dbraw/zinc/63/22/78/343632278.db2.gz MSNCQRDPIPQMAF-UWVGGRQHSA-N 0 0 197.278 1.064 10 0 ADAERN O=C(NC[C@H]1CCC[C@@H]1O)C1CCC1 84225143 343632286 /nfs/dbraw/zinc/63/22/86/343632286.db2.gz MSNCQRDPIPQMAF-ZJUUUORDSA-N 0 0 197.278 1.064 10 0 ADAERN CCCCC(=O)NC[C@@H]1CCC[C@H]1O 84225662 343632289 /nfs/dbraw/zinc/63/22/89/343632289.db2.gz KCQWBPUHCRYJDC-VHSXEESVSA-N 0 0 199.294 1.454 10 0 ADAERN CC[C@H](C)C(=O)NC[C@H]1CCC[C@@H]1O 84223585 343632328 /nfs/dbraw/zinc/63/23/28/343632328.db2.gz RMJHCUGKQAKVBW-AEJSXWLSSA-N 0 0 199.294 1.310 10 0 ADAERN CCCC(=O)NC[C@H]1CCC[C@H]1O 84225910 343632345 /nfs/dbraw/zinc/63/23/45/343632345.db2.gz SWKSSHWOCRPREJ-RKDXNWHRSA-N 0 0 185.267 1.064 10 0 ADAERN CC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1O 84226350 343632346 /nfs/dbraw/zinc/63/23/46/343632346.db2.gz IXOORUAQEUBAST-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN CCCC(=O)NC[C@@H]1CCC[C@H]1O 84225902 343632356 /nfs/dbraw/zinc/63/23/56/343632356.db2.gz SWKSSHWOCRPREJ-DTWKUNHWSA-N 0 0 185.267 1.064 10 0 ADAERN CC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1O 84226355 343632357 /nfs/dbraw/zinc/63/23/57/343632357.db2.gz IXOORUAQEUBAST-BDAKNGLRSA-N 0 0 199.294 1.310 10 0 ADAERN O[C@H]1CCC[C@@H]1CNc1ncccn1 84233445 343632519 /nfs/dbraw/zinc/63/25/19/343632519.db2.gz HCYWZAZDESQGEM-BDAKNGLRSA-N 0 0 193.250 1.050 10 0 ADAERN O[C@@H]1CCC[C@H]1CNc1cccnn1 84234111 343632620 /nfs/dbraw/zinc/63/26/20/343632620.db2.gz QMVDWHMCJYQVAT-DTWKUNHWSA-N 0 0 193.250 1.050 10 0 ADAERN O=C([O-])[C@H]1C[NH2+]C[C@H]2CCCC[C@H]21 84231708 343632645 /nfs/dbraw/zinc/63/26/45/343632645.db2.gz RLPVPYVIDWONQA-HLTSFMKQSA-N 0 0 183.251 1.097 10 0 ADAERN CC(C)(C)C(=O)NC[C@H]1CCC[C@H]1O 84226362 343632797 /nfs/dbraw/zinc/63/27/97/343632797.db2.gz IXOORUAQEUBAST-RKDXNWHRSA-N 0 0 199.294 1.310 10 0 ADAERN CCc1cc(C)[nH]c(=O)c1 83962058 343629083 /nfs/dbraw/zinc/62/90/83/343629083.db2.gz JQKGPUBKRNVDQZ-UHFFFAOYSA-N 0 0 137.182 1.246 10 0 ADAERN Cc1ccccc1-c1c(N)cnn1C 84450671 343637526 /nfs/dbraw/zinc/63/75/26/343637526.db2.gz GQQUHCLSXUABIX-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCCc1nc(Cn2cccn2)no1 84728240 343638000 /nfs/dbraw/zinc/63/80/00/343638000.db2.gz FXLGFQKVIZDJPB-UHFFFAOYSA-N 0 0 192.222 1.267 10 0 ADAERN Nc1cnn(-c2c(F)cccc2F)c1 84929722 343638539 /nfs/dbraw/zinc/63/85/39/343638539.db2.gz JKVMDTYXFGYYHD-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN CCc1csc(N2CC(CO)C2)n1 84988328 343638551 /nfs/dbraw/zinc/63/85/51/343638551.db2.gz WTVGUDHGZZLROP-UHFFFAOYSA-N 0 0 198.291 1.134 10 0 ADAERN COc1ccc(OC)c(N(C)C)c1 84918183 343638578 /nfs/dbraw/zinc/63/85/78/343638578.db2.gz DWXNXVYTEOEXNP-UHFFFAOYSA-N 0 0 181.235 1.770 10 0 ADAERN CC[C@H]1CC[C@H](CO)C1 84348273 343634677 /nfs/dbraw/zinc/63/46/77/343634677.db2.gz OOXRLWVWALNZKU-YUMQZZPRSA-N 0 0 128.215 1.805 10 0 ADAERN CC[C@H]1CC[C@@H](CO)C1 84348280 343634712 /nfs/dbraw/zinc/63/47/12/343634712.db2.gz OOXRLWVWALNZKU-JGVFFNPUSA-N 0 0 128.215 1.805 10 0 ADAERN Cc1cc(C(=O)[O-])cc(N(C)C)[nH+]1 84446218 343637132 /nfs/dbraw/zinc/63/71/32/343637132.db2.gz XNICZRGXAXLQTF-UHFFFAOYSA-N 0 0 180.207 1.154 10 0 ADAERN CCN(CC(C)(C)O)c1cccnn1 85485932 343644162 /nfs/dbraw/zinc/64/41/62/343644162.db2.gz CHALDVFVAJURMP-UHFFFAOYSA-N 0 0 195.266 1.074 10 0 ADAERN COCCCS[C@@H](C)[C@H](C)O 85502356 343644621 /nfs/dbraw/zinc/64/46/21/343644621.db2.gz FWHIFZIQMUDLPU-YUMQZZPRSA-N 0 0 178.297 1.525 10 0 ADAERN COC(=O)C[C@@H](C)SCCF 85502293 343644624 /nfs/dbraw/zinc/64/46/24/343644624.db2.gz FVPIRHPMHQOFOZ-ZCFIWIBFSA-N 0 0 180.244 1.641 10 0 ADAERN COCCS[C@@H](C)[C@@H](C)O 85502365 343644633 /nfs/dbraw/zinc/64/46/33/343644633.db2.gz BQKOFBRFTFUZRE-RQJHMYQMSA-N 0 0 164.270 1.135 10 0 ADAERN COCCCS[C@H](C)[C@H](C)O 85502354 343644675 /nfs/dbraw/zinc/64/46/75/343644675.db2.gz FWHIFZIQMUDLPU-JGVFFNPUSA-N 0 0 178.297 1.525 10 0 ADAERN C[C@@H](CCO)SCCF 85502303 343644678 /nfs/dbraw/zinc/64/46/78/343644678.db2.gz BFVAVJXOMJUKBQ-LURJTMIESA-N 0 0 152.234 1.460 10 0 ADAERN COC(=O)[C@@H](C)CSCCF 85502294 343644681 /nfs/dbraw/zinc/64/46/81/343644681.db2.gz HTPGFGLPIJMVEP-LURJTMIESA-N 0 0 180.244 1.498 10 0 ADAERN COCCCS[C@H](C)[C@@H](C)O 85502355 343644684 /nfs/dbraw/zinc/64/46/84/343644684.db2.gz FWHIFZIQMUDLPU-HTQZYQBOSA-N 0 0 178.297 1.525 10 0 ADAERN C[C@]1(C(=O)N2CCCCC2)CCCO1 87230370 343658553 /nfs/dbraw/zinc/65/85/53/343658553.db2.gz STLXLFHPKXRYTK-LLVKDONJSA-N 0 0 197.278 1.568 10 0 ADAERN Cc1ccc([C@H](C)NC(N)=O)cc1F 87257812 343658682 /nfs/dbraw/zinc/65/86/82/343658682.db2.gz YVTLXSAUNYVYAG-ZETCQYMHSA-N 0 0 196.225 1.863 10 0 ADAERN CC(C)CNC(=O)[C@]1(C)CCCO1 87230382 343658691 /nfs/dbraw/zinc/65/86/91/343658691.db2.gz QUTLWFFOMQEVFI-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CCNC(=O)Cc1ccc(F)c(F)c1 87232380 343658692 /nfs/dbraw/zinc/65/86/92/343658692.db2.gz ANNVSBMIBYGFPV-UHFFFAOYSA-N 0 0 199.200 1.643 10 0 ADAERN CNC(=O)Cc1ccc(F)c(F)c1 87232373 343658693 /nfs/dbraw/zinc/65/86/93/343658693.db2.gz CLNZOQUYOIPYIO-UHFFFAOYSA-N 0 0 185.173 1.253 10 0 ADAERN CCC[C@@H](O)CCC(C)(C)O 86358784 343651496 /nfs/dbraw/zinc/65/14/96/343651496.db2.gz MKLLIGVMZPYASC-MRVPVSSYSA-N 0 0 160.257 1.699 10 0 ADAERN C[C@H](O)CCC(F)F 86358107 343651498 /nfs/dbraw/zinc/65/14/98/343651498.db2.gz RMYSXHHFRUAEBC-BYPYZUCNSA-N 0 0 124.130 1.413 10 0 ADAERN CC(=O)CC[C@@H]1CCCCO1 86352484 343651503 /nfs/dbraw/zinc/65/15/03/343651503.db2.gz RMPVVSBFMPKBGY-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN OCC(CO)CCOc1ccccc1 86370422 343651514 /nfs/dbraw/zinc/65/15/14/343651514.db2.gz DLYVTIZXOVFVMZ-UHFFFAOYSA-N 0 0 196.246 1.056 10 0 ADAERN NOc1ccc2ccccc2n1 86336056 343651532 /nfs/dbraw/zinc/65/15/32/343651532.db2.gz GTJCYGWJIDIUEX-UHFFFAOYSA-N 0 0 160.176 1.487 10 0 ADAERN CC(=O)[C@H](C)Cc1cccnc1 86353469 343651540 /nfs/dbraw/zinc/65/15/40/343651540.db2.gz MMAAVDTZNRKSMY-MRVPVSSYSA-N 0 0 163.220 1.849 10 0 ADAERN Cc1ccc(-n2nc(N)nc2C)cc1 86475294 343652010 /nfs/dbraw/zinc/65/20/10/343652010.db2.gz JLSFLJWZVWWTHE-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC[S@](=O)CC[C@@H]1CCCC1=O 86535865 343652489 /nfs/dbraw/zinc/65/24/89/343652489.db2.gz ASFSTKRCNXGHPI-QPUJVOFHSA-N 0 0 188.292 1.514 10 0 ADAERN Nc1nccc(OC2CCCCC2)n1 87840676 343665239 /nfs/dbraw/zinc/66/52/39/343665239.db2.gz KZKCOCDQSGJONH-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN C[C@H]1CC[C@H](C(=O)N2CCCC2)O1 87908348 343665663 /nfs/dbraw/zinc/66/56/63/343665663.db2.gz URTVYCNFGMRHIW-DTWKUNHWSA-N 0 0 183.251 1.176 10 0 ADAERN Cc1cc(NC2CC2)n(C)n1 95075662 343679551 /nfs/dbraw/zinc/67/95/51/343679551.db2.gz PDQGTKOPPWEJNW-UHFFFAOYSA-N 0 0 151.213 1.303 10 0 ADAERN CC(C)[N@@H+]1CCC2(CC(C(=O)[O-])C2)C1 95088238 343680032 /nfs/dbraw/zinc/68/00/32/343680032.db2.gz KZNYHSZQQNXFGT-UHFFFAOYSA-N 0 0 197.278 1.582 10 0 ADAERN CCc1n[nH]c2cc(N)ccc12 89195962 343672329 /nfs/dbraw/zinc/67/23/29/343672329.db2.gz LQPZKNKEBQCFRW-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN Cc1c(O)cc(C)c2n[nH]cc12 89196887 343672337 /nfs/dbraw/zinc/67/23/37/343672337.db2.gz JRPHFQODXHSLCW-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN Cc1cc(CO)c2n[nH]cc2c1 89197193 343672340 /nfs/dbraw/zinc/67/23/40/343672340.db2.gz IUHIZUXVNVMCCP-UHFFFAOYSA-N 0 0 162.192 1.364 10 0 ADAERN CNC(=O)Oc1cccc2ocnc12 89195208 343672341 /nfs/dbraw/zinc/67/23/41/343672341.db2.gz UXQRPHLLCRVLHS-UHFFFAOYSA-N 0 0 192.174 1.546 10 0 ADAERN CCc1cc(N)cc2c[nH]nc12 89197199 343672357 /nfs/dbraw/zinc/67/23/57/343672357.db2.gz UAFZYXSPWPWDAG-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN CCc1c(O)ccc2n[nH]cc12 89196999 343672362 /nfs/dbraw/zinc/67/23/62/343672362.db2.gz QDISZSSBQROZHG-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN CCc1[nH][nH]c2cc(=O)ccc1-2 89195997 343672364 /nfs/dbraw/zinc/67/23/64/343672364.db2.gz FCWKAVJJSBDNQC-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN Cc1cn2cnc(C)c2c(Cl)n1 89195448 343672368 /nfs/dbraw/zinc/67/23/68/343672368.db2.gz MJTRANHSNXXMCA-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN CC[C@@](C)(O)c1cnc2ccccn12 89200960 343672730 /nfs/dbraw/zinc/67/27/30/343672730.db2.gz WIOQHJXTMMBZKL-LLVKDONJSA-N 0 0 190.246 1.952 10 0 ADAERN Cc1c(C)c(N)c2c(cnn2O)c1O 89200759 343672881 /nfs/dbraw/zinc/67/28/81/343672881.db2.gz ZNADXMDNJSQWTE-UHFFFAOYSA-N 0 0 193.206 1.178 10 0 ADAERN CCc1ccc2c[nH]nc2c1O 89200467 343672883 /nfs/dbraw/zinc/67/28/83/343672883.db2.gz MPHJOWNUZUVWMA-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN CCC(=O)Nc1nccc2nc[nH]c12 89203036 343672885 /nfs/dbraw/zinc/67/28/85/343672885.db2.gz TVBSRTFCXFSNFZ-UHFFFAOYSA-N 0 0 190.206 1.306 10 0 ADAERN CCc1cc2n[nH]cc2c(C)n1 89220273 343673451 /nfs/dbraw/zinc/67/34/51/343673451.db2.gz KUBQUADAYJABDM-UHFFFAOYSA-N 0 0 161.208 1.829 10 0 ADAERN C[C@H]1Cc2c(O)cccc2N1 90400571 343675146 /nfs/dbraw/zinc/67/51/46/343675146.db2.gz XOJUZGWOQMIMHK-LURJTMIESA-N 0 0 149.193 1.749 10 0 ADAERN CCCCOC(=O)[C@H](O)CC 90447212 343675760 /nfs/dbraw/zinc/67/57/60/343675760.db2.gz YFFBWGUXPFAXRS-SSDOTTSWSA-N 0 0 160.213 1.101 10 0 ADAERN OCCC1(Br)CC1 90729441 343676956 /nfs/dbraw/zinc/67/69/56/343676956.db2.gz DFKYKJMPMWBCCX-UHFFFAOYSA-N 0 0 165.030 1.296 10 0 ADAERN Cc1c(CO)noc1Br 91351671 343677428 /nfs/dbraw/zinc/67/74/28/343677428.db2.gz JYIWTEKAQPMOSX-UHFFFAOYSA-N 0 0 192.012 1.238 10 0 ADAERN CCCN1C(=O)CCc2c[nH]nc21 91365940 343677938 /nfs/dbraw/zinc/67/79/38/343677938.db2.gz RYFBNWJHFPAEDG-UHFFFAOYSA-N 0 0 179.223 1.099 10 0 ADAERN Cc1cc(C(N)=O)cc(C)c1C=O 95496299 343683870 /nfs/dbraw/zinc/68/38/70/343683870.db2.gz PMMXYPAWVWOXKE-UHFFFAOYSA-N 0 0 177.203 1.215 10 0 ADAERN OC[C@@H]1CCCN1c1ccccc1 95629109 343684944 /nfs/dbraw/zinc/68/49/44/343684944.db2.gz BBHDCQQORNDJQW-NSHDSACASA-N 0 0 177.247 1.648 10 0 ADAERN COc1cc2[nH]cc(C(C)=O)c2cn1 95698428 343685451 /nfs/dbraw/zinc/68/54/51/343685451.db2.gz MBLAYSVQWLVREF-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN Cc1ccc2c(n1)NC(=O)CC2 95642529 343685457 /nfs/dbraw/zinc/68/54/57/343685457.db2.gz UXHIBYLONSGIOH-UHFFFAOYSA-N 0 0 162.192 1.275 10 0 ADAERN Cc1cc([C@@H]2COC(=O)N2)ccc1O 95686390 343685502 /nfs/dbraw/zinc/68/55/02/343685502.db2.gz RMQSSSIZUZQZBC-QMMMGPOBSA-N 0 0 193.202 1.482 10 0 ADAERN CC[C@H](O)O[C@H](CC)OC 95934210 343691048 /nfs/dbraw/zinc/69/10/48/343691048.db2.gz OTBAIPDRWPLCQD-RNFRBKRXSA-N 0 0 148.202 1.114 10 0 ADAERN CC[C@@H](OC)O[C@@H](O)CC 95934208 343691049 /nfs/dbraw/zinc/69/10/49/343691049.db2.gz OTBAIPDRWPLCQD-RQJHMYQMSA-N 0 0 148.202 1.114 10 0 ADAERN CC[C@@H](O)O[C@@H](CC)OC 95934207 343691055 /nfs/dbraw/zinc/69/10/55/343691055.db2.gz OTBAIPDRWPLCQD-BQBZGAKWSA-N 0 0 148.202 1.114 10 0 ADAERN CCc1cncc(C(C)=O)n1 95934620 343691057 /nfs/dbraw/zinc/69/10/57/343691057.db2.gz NMVNYKQLVLOYTC-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN CC1(C)C(=O)Nc2ccnc(C=O)c21 96321399 343696872 /nfs/dbraw/zinc/69/68/72/343696872.db2.gz QMIJJWCCZFTROC-UHFFFAOYSA-N 0 0 190.202 1.124 10 0 ADAERN CNC(=O)/C=C\c1cccc(OC)c1 96405085 343696931 /nfs/dbraw/zinc/69/69/31/343696931.db2.gz XMDBEWGCAKIJGN-SREVYHEPSA-N 0 0 191.230 1.454 10 0 ADAERN Cc1cccc2c1nc1n2CCN1 95921979 343689994 /nfs/dbraw/zinc/68/99/94/343689994.db2.gz WDCZRZIPRQPIMW-UHFFFAOYSA-N 0 0 173.219 1.770 10 0 ADAERN Cc1ccc2nc3n(c2c1)CCN3 95921982 343690317 /nfs/dbraw/zinc/69/03/17/343690317.db2.gz FPNSJDKCQMQQSK-UHFFFAOYSA-N 0 0 173.219 1.770 10 0 ADAERN Cc1cn(-c2cccc(N)c2)c(=O)[nH]1 98210235 343707654 /nfs/dbraw/zinc/70/76/54/343707654.db2.gz URGWDEQVHMETIK-UHFFFAOYSA-N 0 0 189.218 1.056 10 0 in-vitro ADAERN CCO/C=C\[C@@H](O)C(F)(F)F 97437784 343702060 /nfs/dbraw/zinc/70/20/60/343702060.db2.gz QNPKWCPFNWSPON-CLBPYYFESA-N 0 0 170.130 1.460 10 0 ADAERN CC[C@@H](NN)c1cccc(C)n1 97533087 343702589 /nfs/dbraw/zinc/70/25/89/343702589.db2.gz FMVSTFUOJJXALM-MRVPVSSYSA-N 0 0 165.240 1.304 10 0 ADAERN CC[C@H](NN)[C@H]1COc2ccccc21 97627387 343702617 /nfs/dbraw/zinc/70/26/17/343702617.db2.gz VAQHPFIANUXCAY-UWVGGRQHSA-N 0 0 192.262 1.405 10 0 ADAERN C[C@H](O[S@](C)(=O)=S)C(C)(C)C 97974104 343704338 /nfs/dbraw/zinc/70/43/38/343704338.db2.gz YOAXPOILRZHYDA-KGFZYKRKSA-N 0 0 196.337 1.729 10 0 ADAERN Cc1ccc2c(c1)NC(=O)C1(CC1)N2 98035527 343704737 /nfs/dbraw/zinc/70/47/37/343704737.db2.gz MFIAFXYPVDAXKB-UHFFFAOYSA-N 0 0 188.230 1.892 10 0 ADAERN Cc1nnc(C2(O)CCCCC2)[nH]1 103193159 343726920 /nfs/dbraw/zinc/72/69/20/343726920.db2.gz KDUJYZRPIKTNFL-UHFFFAOYSA-N 0 0 181.239 1.265 10 0 ADAERN CCC[N@@H+]1C=CCC(C(=O)[O-])=C1 100232919 343713279 /nfs/dbraw/zinc/71/32/79/343713279.db2.gz UKTOKYZBZPQSPL-UHFFFAOYSA-N 0 0 167.208 1.584 10 0 ADAERN C[C@H]1C=CN=C2SC=CN21 100231172 343713288 /nfs/dbraw/zinc/71/32/88/343713288.db2.gz VKTKKCGCKYUDMD-LURJTMIESA-N 0 0 152.222 1.778 10 0 ADAERN Cc1cc(=O)n(-c2cccc(N)c2)[nH]1 100285986 343714797 /nfs/dbraw/zinc/71/47/97/343714797.db2.gz POKNWSWQFXJOBG-UHFFFAOYSA-N 0 0 189.218 1.056 10 0 ADAERN CCCCn1c(=O)cc(N)[nH]c1=S 100404288 343716478 /nfs/dbraw/zinc/71/64/78/343716478.db2.gz PSDQUAUDIKMOFV-UHFFFAOYSA-N 0 0 199.279 1.700 10 0 ADAERN CNC(=O)Nc1cccc(O)c1 106433749 343738120 /nfs/dbraw/zinc/73/81/20/343738120.db2.gz CQJWPRYTKMRKLX-UHFFFAOYSA-N 0 0 166.180 1.144 10 0 ADAERN C[C@@H]1NCC(=O)N1C1CCCCCC1 106873722 343739160 /nfs/dbraw/zinc/73/91/60/343739160.db2.gz IYZYELWBYDKAEG-SECBINFHSA-N 0 0 196.294 1.487 10 0 ADAERN CCC1(CC)CCC(=O)N1 107115820 343740117 /nfs/dbraw/zinc/74/01/17/343740117.db2.gz WDRHCSRMMZFQQW-UHFFFAOYSA-N 0 0 141.214 1.455 10 0 ADAERN CC[C@@]1(O)CCS[C@@H]1C 107116810 343740463 /nfs/dbraw/zinc/74/04/63/343740463.db2.gz XOJZPMRVUVONKL-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN CC(C)Cc1ocnc1C=O 107117494 343740480 /nfs/dbraw/zinc/74/04/80/343740480.db2.gz CMMBYTIYUFJEQP-UHFFFAOYSA-N 0 0 153.181 1.686 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H]2C[C@H]2C1 107129651 343742723 /nfs/dbraw/zinc/74/27/23/343742723.db2.gz BOKKDMNWUUMCEE-HRDYMLBCSA-N 0 0 183.251 1.047 10 0 ADAERN O=C1CCCN(Cc2ccccn2)C1 107134474 343743688 /nfs/dbraw/zinc/74/36/88/343743688.db2.gz MYXUTSWIWBAHRA-UHFFFAOYSA-N 0 0 190.246 1.247 10 0 ADAERN O=C1CCCN(Cc2ccncc2)C1 107134465 343743770 /nfs/dbraw/zinc/74/37/70/343743770.db2.gz KAJCLMOOBJRGQA-UHFFFAOYSA-N 0 0 190.246 1.247 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)c1ccn(C)n1 107141547 343744216 /nfs/dbraw/zinc/74/42/16/343744216.db2.gz XUTTYQSSJRBCST-CBAPKCEASA-N 0 0 198.291 1.133 10 0 ADAERN C[C@H]1SCC[C@@]1(O)c1ccn(C)n1 107141544 343744267 /nfs/dbraw/zinc/74/42/67/343744267.db2.gz XUTTYQSSJRBCST-APPZFPTMSA-N 0 0 198.291 1.133 10 0 ADAERN C[C@@H]1C[N@@H+](C2CC2)CC[C@@H]1C(=O)[O-] 107230591 343747918 /nfs/dbraw/zinc/74/79/18/343747918.db2.gz QQLJFBPGDUDDGY-APPZFPTMSA-N 0 0 183.251 1.191 10 0 ADAERN O=Cc1cc(N2CCCCC2)ccn1 107351331 343749843 /nfs/dbraw/zinc/74/98/43/343749843.db2.gz SCCQEOSJIXOPIF-UHFFFAOYSA-N 0 0 190.246 1.884 10 0 ADAERN Cc1ccc(Cc2cc(N)ncn2)cc1 107465542 343750346 /nfs/dbraw/zinc/75/03/46/343750346.db2.gz UJQVAJCYYMYJDB-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN Nc1cccc(N2C[C@H]3C[C@H]3C2)c1 107124939 343742003 /nfs/dbraw/zinc/74/20/03/343742003.db2.gz UBGMIRFXEMBQSK-DTORHVGOSA-N 0 0 174.247 1.725 10 0 ADAERN COc1c(CO)cnc(C)c1Cl 112974895 343756225 /nfs/dbraw/zinc/75/62/25/343756225.db2.gz IGHFBCJUZLDWJC-UHFFFAOYSA-N 0 0 187.626 1.544 10 0 ADAERN CC/C=C/OC(C)=O 112971473 343756233 /nfs/dbraw/zinc/75/62/33/343756233.db2.gz NLAMRLZPVVKXTK-SNAWJCMRSA-N 0 0 114.144 1.473 10 0 ADAERN CCc1ccc2nc(N)sc2n1 113148513 343757016 /nfs/dbraw/zinc/75/70/16/343757016.db2.gz YNYRZUIMUVUIJO-UHFFFAOYSA-N 0 0 179.248 1.836 10 0 ADAERN Cn1cc(-c2ccccc2)nc1CO 113421629 343758625 /nfs/dbraw/zinc/75/86/25/343758625.db2.gz BPPPWBBZFYRRBI-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN Cc1cc2c(cc1CCO)COC2=O 113485564 343759442 /nfs/dbraw/zinc/75/94/42/343759442.db2.gz MVDSCDWWDPNIGG-UHFFFAOYSA-N 0 0 192.214 1.200 10 0 ADAERN OCc1ccc2nnsc2c1 113986911 343760982 /nfs/dbraw/zinc/76/09/82/343760982.db2.gz JKTPAWJPHSOKAS-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN CC[C@H](c1ccccc1)[C@H]([NH3+])C(=O)[O-] 113966642 343761019 /nfs/dbraw/zinc/76/10/19/343761019.db2.gz VGHSTKSUXOSXQU-ZJUUUORDSA-N 0 0 193.246 1.592 10 0 ADAERN Nc1ccc(CN2CC[C@H](F)C2)cn1 113892642 343761048 /nfs/dbraw/zinc/76/10/48/343761048.db2.gz OKEHPMGFSDYMST-VIFPVBQESA-N 0 0 195.241 1.208 10 0 ADAERN CC(C)c1nnc2ccc(F)cn12 115742626 343767355 /nfs/dbraw/zinc/76/73/55/343767355.db2.gz BRUIUUVNLUYGSY-UHFFFAOYSA-N 0 0 179.198 1.992 10 0 ADAERN Nc1ccc(F)c(Cl)c1CO 116006700 343767801 /nfs/dbraw/zinc/76/78/01/343767801.db2.gz VOZGFEXJIXPYDI-UHFFFAOYSA-N 0 0 175.590 1.554 10 0 ADAERN CCC1C(=O)CCCC1=O 116779175 343770922 /nfs/dbraw/zinc/77/09/22/343770922.db2.gz CBYSZLTXXOKQQO-UHFFFAOYSA-N 0 0 140.182 1.335 10 0 ADAERN CC(C)[C@@H]1CCCC[C@@H]1NC(N)=O 112677442 343755479 /nfs/dbraw/zinc/75/54/79/343755479.db2.gz TVUVIIGKEHFDHC-IUCAKERBSA-N 0 0 184.283 1.870 10 0 ADAERN CC(C)[C@H]1CCCC[C@@H]1NC(N)=O 112677444 343755729 /nfs/dbraw/zinc/75/57/29/343755729.db2.gz TVUVIIGKEHFDHC-BDAKNGLRSA-N 0 0 184.283 1.870 10 0 ADAERN C=Cc1ncc(C(=O)OCC)s1 117503378 343772891 /nfs/dbraw/zinc/77/28/91/343772891.db2.gz DTYXJSMDLGQFMS-UHFFFAOYSA-N 0 0 183.232 1.963 10 0 ADAERN COC(=O)[C@H](C)c1ccc(O)cc1F 117539605 343772927 /nfs/dbraw/zinc/77/29/27/343772927.db2.gz LFDGBRTWAIDEID-ZCFIWIBFSA-N 0 0 198.193 1.808 10 0 ADAERN COC(=O)[C@@H](C)c1ccc(O)cc1F 117539602 343772932 /nfs/dbraw/zinc/77/29/32/343772932.db2.gz LFDGBRTWAIDEID-LURJTMIESA-N 0 0 198.193 1.808 10 0 ADAERN CC1(C(N)=S)CCOCC1 117377259 343772935 /nfs/dbraw/zinc/77/29/35/343772935.db2.gz KHEVJNBJZOLYIR-UHFFFAOYSA-N 0 0 159.254 1.089 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 118333650 343775708 /nfs/dbraw/zinc/77/57/08/343775708.db2.gz MEXIJUAEDOEREY-ZMONIFLSSA-N 0 0 140.182 1.206 10 0 ADAERN COC(=O)c1ccc([C@@H](C)[NH3+])s1 118827192 343776805 /nfs/dbraw/zinc/77/68/05/343776805.db2.gz HUXJXBNTRLZNFA-RXMQYKEDSA-N 0 0 185.248 1.554 10 0 ADAERN CC(C)NC(=O)N[C@@H]1C[C@H]1C 122333068 343779208 /nfs/dbraw/zinc/77/92/08/343779208.db2.gz QLHCORSMTQUANI-RNFRBKRXSA-N 0 0 156.229 1.102 10 0 ADAERN CC1(C)CCCN1C(=O)NC1CC1 122402574 343779209 /nfs/dbraw/zinc/77/92/09/343779209.db2.gz GYWXOINVKHJKJK-UHFFFAOYSA-N 0 0 182.267 1.733 10 0 ADAERN CC(C)NC(=O)N[C@H]1C[C@@H]1C 122332825 343779222 /nfs/dbraw/zinc/77/92/22/343779222.db2.gz QLHCORSMTQUANI-BQBZGAKWSA-N 0 0 156.229 1.102 10 0 ADAERN CNC(=O)N[C@H](C)c1nc(C)cs1 122327411 343779224 /nfs/dbraw/zinc/77/92/24/343779224.db2.gz SIJKBVTTWYBFLR-ZCFIWIBFSA-N 0 0 199.279 1.442 10 0 ADAERN CCC(CC)CNC(=O)NC 122662226 343780451 /nfs/dbraw/zinc/78/04/51/343780451.db2.gz GSKNXYCFAZNEMT-UHFFFAOYSA-N 0 0 158.245 1.352 10 0 ADAERN CCN(CC)C(=O)N(C)CC1CC1 123002660 343781902 /nfs/dbraw/zinc/78/19/02/343781902.db2.gz YACBHTTVNYIRDE-UHFFFAOYSA-N 0 0 184.283 1.790 10 0 ADAERN CCc1nccn1Cc1ccn(C)n1 124472283 343787002 /nfs/dbraw/zinc/78/70/02/343787002.db2.gz JGKDPINFTAVULC-UHFFFAOYSA-N 0 0 190.250 1.227 10 0 ADAERN CC[C@@H](NN)C(C)(C)CC 126911054 343799907 /nfs/dbraw/zinc/79/99/07/343799907.db2.gz SBZONOVEFZOZBF-SSDOTTSWSA-N 0 0 144.262 1.665 10 0 ADAERN CCCc1nc2c([nH]1)[C@H]([NH3+])CCC2 126923229 343800493 /nfs/dbraw/zinc/80/04/93/343800493.db2.gz RBKKZXRGEPSATJ-SSDOTTSWSA-N 0 0 179.267 1.698 10 0 ADAERN CN(C(=O)NC1CC1)c1ccccn1 126923511 343800507 /nfs/dbraw/zinc/80/05/07/343800507.db2.gz LAFLNEACWBXEFZ-UHFFFAOYSA-N 0 0 191.234 1.390 10 0 ADAERN CCNC(=O)NCCCCSC 125074862 343788882 /nfs/dbraw/zinc/78/88/82/343788882.db2.gz PPQDKXWMVRBDJG-UHFFFAOYSA-N 0 0 190.312 1.449 10 0 ADAERN CCCNC(=O)NCCCC1CC1 125073552 343789219 /nfs/dbraw/zinc/78/92/19/343789219.db2.gz VICBJRXQAHVMFB-UHFFFAOYSA-N 0 0 184.283 1.886 10 0 ADAERN N[C@H](c1cscn1)c1nccs1 126575253 343794246 /nfs/dbraw/zinc/79/42/46/343794246.db2.gz IHXXXSJBWHGRNM-ZCFIWIBFSA-N 0 0 197.288 1.648 10 0 ADAERN Cc1cccc(NC2(CO)CC2)n1 126587712 343794273 /nfs/dbraw/zinc/79/42/73/343794273.db2.gz ILZHIHZXEPSREH-UHFFFAOYSA-N 0 0 178.235 1.327 10 0 ADAERN Cc1cc([C@@H](NN)C(C)C)co1 126807188 343797264 /nfs/dbraw/zinc/79/72/64/343797264.db2.gz QCZFSMRKRRQSLS-VIFPVBQESA-N 0 0 168.240 1.748 10 0 ADAERN NN[C@@H](C1CCCC1)[C@H]1CCCCO1 127078950 343803752 /nfs/dbraw/zinc/80/37/52/343803752.db2.gz UWJRMQUCZIXYCN-MNOVXSKESA-N 0 0 198.310 1.578 10 0 ADAERN NNC[C@H]1CCC[C@@H](C(F)(F)F)C1 127061264 343803755 /nfs/dbraw/zinc/80/37/55/343803755.db2.gz SQTYYQPXCLVZFO-NKWVEPMBSA-N 0 0 196.216 1.818 10 0 ADAERN NN[C@@H](c1csnn1)C1CCCC1 127068675 343803826 /nfs/dbraw/zinc/80/38/26/343803826.db2.gz DPIPTIZLSPJQKE-MRVPVSSYSA-N 0 0 198.295 1.233 10 0 ADAERN NNC[C@@H]1CCC[C@H](C(F)(F)F)C1 127061947 343803829 /nfs/dbraw/zinc/80/38/29/343803829.db2.gz SQTYYQPXCLVZFO-RQJHMYQMSA-N 0 0 196.216 1.818 10 0 ADAERN CN(C)C(=O)Nc1ccc(N)c(F)c1 127067788 343803867 /nfs/dbraw/zinc/80/38/67/343803867.db2.gz FCOCDKITZGUBIM-UHFFFAOYSA-N 0 0 197.213 1.501 10 0 ADAERN NN[C@H](c1csnn1)C1CCCC1 127068920 343803874 /nfs/dbraw/zinc/80/38/74/343803874.db2.gz DPIPTIZLSPJQKE-QMMMGPOBSA-N 0 0 198.295 1.233 10 0 ADAERN CN(c1ccc(N)nc1)C1CCC1 127116715 343804287 /nfs/dbraw/zinc/80/42/87/343804287.db2.gz JOJMGACABIDFBQ-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@H](NN)c1ccncc1Cl 127202116 343806673 /nfs/dbraw/zinc/80/66/73/343806673.db2.gz XQKOYSQUWKEYSY-YFKPBYRVSA-N 0 0 171.631 1.259 10 0 ADAERN CCC1([C@H](C)NN)CCCC1 127192825 343806675 /nfs/dbraw/zinc/80/66/75/343806675.db2.gz ZNDOOJPAQYCXDG-QMMMGPOBSA-N 0 0 156.273 1.809 10 0 ADAERN Cc1cc([C@@H](C)NN)co1 127194056 343806796 /nfs/dbraw/zinc/80/67/96/343806796.db2.gz IQFAZMFBAQMMJU-ZCFIWIBFSA-N 0 0 140.186 1.112 10 0 ADAERN C[C@@H](NN)c1c(F)cc(F)cc1F 127198114 343806947 /nfs/dbraw/zinc/80/69/47/343806947.db2.gz OYRCIPFHEICAAW-SCSAIBSYSA-N 0 0 190.168 1.628 10 0 ADAERN C[C@@H](NN)[C@]1(C)CCCS1 127219454 343807297 /nfs/dbraw/zinc/80/72/97/343807297.db2.gz QHNWCOQVOWNGOV-RQJHMYQMSA-N 0 0 160.286 1.124 10 0 ADAERN CC(C)[C@H](C)[C@@H](C)NN 127208729 343807301 /nfs/dbraw/zinc/80/73/01/343807301.db2.gz PUAORXKETSAYFK-NKWVEPMBSA-N 0 0 130.235 1.130 10 0 ADAERN CC(C)[C@H](C)[C@H](C)NN 127209155 343807306 /nfs/dbraw/zinc/80/73/06/343807306.db2.gz PUAORXKETSAYFK-BQBZGAKWSA-N 0 0 130.235 1.130 10 0 ADAERN CCc1ccc([C@@H](C)NN)o1 127203481 343807315 /nfs/dbraw/zinc/80/73/15/343807315.db2.gz LAYFXVJPAHIXGI-ZCFIWIBFSA-N 0 0 154.213 1.366 10 0 ADAERN C[C@H](NN)C1C(C)(C)C1(C)C 127218809 343807316 /nfs/dbraw/zinc/80/73/16/343807316.db2.gz IWGLMWPPUJNWPB-LURJTMIESA-N 0 0 156.273 1.520 10 0 ADAERN Cc1cc([C@H](C)NN)c(F)cc1F 127206488 343807319 /nfs/dbraw/zinc/80/73/19/343807319.db2.gz TYCSOEYPMRRGRF-LURJTMIESA-N 0 0 186.205 1.798 10 0 ADAERN CN(C)c1cc(Cl)nnc1Cl 127218085 343807333 /nfs/dbraw/zinc/80/73/33/343807333.db2.gz GDOZNCSOXDGQKK-UHFFFAOYSA-N 0 0 192.049 1.849 10 0 ADAERN OCc1nc2c(s1)[C@H](O)CCC2 127219208 343807334 /nfs/dbraw/zinc/80/73/34/343807334.db2.gz HZGXOIZFLPXGRF-ZCFIWIBFSA-N 0 0 185.248 1.005 10 0 ADAERN OCc1nc2c(s1)[C@@H](O)CCC2 127219442 343807338 /nfs/dbraw/zinc/80/73/38/343807338.db2.gz HZGXOIZFLPXGRF-LURJTMIESA-N 0 0 185.248 1.005 10 0 ADAERN C[C@H](NN)[C@]1(C)CCCS1 127219228 343807343 /nfs/dbraw/zinc/80/73/43/343807343.db2.gz QHNWCOQVOWNGOV-BQBZGAKWSA-N 0 0 160.286 1.124 10 0 ADAERN C[C@@H](NN)C1C(C)(C)C1(C)C 127219019 343807357 /nfs/dbraw/zinc/80/73/57/343807357.db2.gz IWGLMWPPUJNWPB-ZCFIWIBFSA-N 0 0 156.273 1.520 10 0 ADAERN CC(C)[C@@H](C)[C@H](C)NN 127208912 343807361 /nfs/dbraw/zinc/80/73/61/343807361.db2.gz PUAORXKETSAYFK-RQJHMYQMSA-N 0 0 130.235 1.130 10 0 ADAERN CC[C@@H](CCO)Nc1cccnn1 127206157 343807365 /nfs/dbraw/zinc/80/73/65/343807365.db2.gz KEFIXUMJGLBRTR-QMMMGPOBSA-N 0 0 181.239 1.050 10 0 ADAERN CCc1ccc([C@H](C)NN)o1 127203662 343807375 /nfs/dbraw/zinc/80/73/75/343807375.db2.gz LAYFXVJPAHIXGI-LURJTMIESA-N 0 0 154.213 1.366 10 0 ADAERN CC[C@H](CCO)Nc1cccnn1 127206389 343807380 /nfs/dbraw/zinc/80/73/80/343807380.db2.gz KEFIXUMJGLBRTR-MRVPVSSYSA-N 0 0 181.239 1.050 10 0 ADAERN CCC(C)(C)[C@@H](C)NN 127230984 343807853 /nfs/dbraw/zinc/80/78/53/343807853.db2.gz CYVCPXLTSZCCIH-ZCFIWIBFSA-N 0 0 130.235 1.274 10 0 ADAERN CCC(C)(C)[C@H](C)NN 127231210 343807855 /nfs/dbraw/zinc/80/78/55/343807855.db2.gz CYVCPXLTSZCCIH-LURJTMIESA-N 0 0 130.235 1.274 10 0 ADAERN C[C@H](Nc1cccnn1)[C@H]1CCOC1 127236750 343807860 /nfs/dbraw/zinc/80/78/60/343807860.db2.gz VPKJSMBNEYPZMO-IUCAKERBSA-N 0 0 193.250 1.314 10 0 ADAERN CSC[C@H](C)Nc1ccc(N)cn1 127227434 343807865 /nfs/dbraw/zinc/80/78/65/343807865.db2.gz IPYLJVCTUKVNQG-ZETCQYMHSA-N 0 0 197.307 1.827 10 0 ADAERN C[C@H](CC1CCSCC1)NN 127236905 343807875 /nfs/dbraw/zinc/80/78/75/343807875.db2.gz CCIAUGHHTSJIDP-SSDOTTSWSA-N 0 0 174.313 1.372 10 0 ADAERN COc1ccsc1[C@@H](C)NN 127232186 343807881 /nfs/dbraw/zinc/80/78/81/343807881.db2.gz IJOWMOHKRRSKCN-RXMQYKEDSA-N 0 0 172.253 1.281 10 0 ADAERN COc1ccsc1[C@H](C)NN 127231931 343807901 /nfs/dbraw/zinc/80/79/01/343807901.db2.gz IJOWMOHKRRSKCN-YFKPBYRVSA-N 0 0 172.253 1.281 10 0 ADAERN CNC(=O)N(C)c1ccc(OC)cc1 127233122 343807902 /nfs/dbraw/zinc/80/79/02/343807902.db2.gz AUQRLSULBLVYBC-UHFFFAOYSA-N 0 0 194.234 1.471 10 0 ADAERN COc1csc([C@H](C)NN)c1 127237564 343808353 /nfs/dbraw/zinc/80/83/53/343808353.db2.gz RHYMUVROJVGLLV-YFKPBYRVSA-N 0 0 172.253 1.281 10 0 ADAERN C[C@H]1OCC[C@]1(CO)C1CCCC1 127328951 343809703 /nfs/dbraw/zinc/80/97/03/343809703.db2.gz OSQIXIPEHAYEAX-MWLCHTKSSA-N 0 0 184.279 1.964 10 0 ADAERN CSc1nc(N)nc(C(F)F)n1 126976927 343802353 /nfs/dbraw/zinc/80/23/53/343802353.db2.gz NLRYGCSLRGHREU-UHFFFAOYSA-N 0 0 192.194 1.113 10 0 ADAERN CC(C)OC(=O)Nc1cnoc1 127323974 343809758 /nfs/dbraw/zinc/80/97/58/343809758.db2.gz MLGBOKYGWPXWPF-UHFFFAOYSA-N 0 0 170.168 1.632 10 0 ADAERN COCCc1nc2c([nH]1)CCCC2 127454640 343811961 /nfs/dbraw/zinc/81/19/61/343811961.db2.gz BDDCJXHRKZFYGI-UHFFFAOYSA-N 0 0 180.251 1.477 10 0 ADAERN COc1nc2c([nH]1)CCCC2 127452531 343811963 /nfs/dbraw/zinc/81/19/63/343811963.db2.gz DGWDEGVUMKRVGR-UHFFFAOYSA-N 0 0 152.197 1.297 10 0 ADAERN C[C@H]1CCc2[nH]c(=O)[nH]c2C1 127522229 343813413 /nfs/dbraw/zinc/81/34/13/343813413.db2.gz XUGJVKDOBIIETP-YFKPBYRVSA-N 0 0 152.197 1.240 10 0 ADAERN COC(=O)Nc1onc(C)c1C 127511014 343813418 /nfs/dbraw/zinc/81/34/18/343813418.db2.gz STTVDJDXXPGHDK-UHFFFAOYSA-N 0 0 170.168 1.470 10 0 ADAERN COCCc1nc2c([nH]1)CC[C@@H](C)C2 127539881 343813427 /nfs/dbraw/zinc/81/34/27/343813427.db2.gz VHJIMOSAXMCXSA-MRVPVSSYSA-N 0 0 194.278 1.723 10 0 ADAERN CC[C@H]1CCc2[nH]cnc2C1 127549606 343814039 /nfs/dbraw/zinc/81/40/39/343814039.db2.gz KYALHPMHSXPJEY-ZETCQYMHSA-N 0 0 150.225 1.925 10 0 ADAERN CNC(=O)NCc1cc(C)c(C)s1 127549534 343814058 /nfs/dbraw/zinc/81/40/58/343814058.db2.gz RZDYOYGXFZEFLO-UHFFFAOYSA-N 0 0 198.291 1.794 10 0 ADAERN CC[C@H]1CCc2[nH]c(=O)[nH]c2C1 127550537 343814062 /nfs/dbraw/zinc/81/40/62/343814062.db2.gz BLIBRHDAPOFYQM-LURJTMIESA-N 0 0 166.224 1.630 10 0 ADAERN CC[C@@H]1CCc2[nH]c(=O)[nH]c2C1 127550303 343814075 /nfs/dbraw/zinc/81/40/75/343814075.db2.gz BLIBRHDAPOFYQM-ZCFIWIBFSA-N 0 0 166.224 1.630 10 0 ADAERN CCC[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] 127634158 343815530 /nfs/dbraw/zinc/81/55/30/343815530.db2.gz YMCHMWGTUDWUPY-JTQLQIEISA-N 0 0 185.267 1.726 10 0 ADAERN c1ncn(-c2ccc3c(n2)CCC3)n1 127674225 343816937 /nfs/dbraw/zinc/81/69/37/343816937.db2.gz JKAZHAHAWBWKFB-UHFFFAOYSA-N 0 0 186.218 1.151 10 0 ADAERN CSC[C@H](C)N1CCC(=O)C1 127688622 343816940 /nfs/dbraw/zinc/81/69/40/343816940.db2.gz PIXDYHIIABJPKH-ZETCQYMHSA-N 0 0 173.281 1.013 10 0 ADAERN C[C@@H]1C[C@H]1c1nn(C)c(=S)[nH]1 127774607 343819090 /nfs/dbraw/zinc/81/90/90/343819090.db2.gz DJTQZHPUOWCIBW-RFZPGFLSSA-N 0 0 169.253 1.227 10 0 ADAERN Cn1nc(C2CCC2)[nH]c1=S 127775318 343819173 /nfs/dbraw/zinc/81/91/73/343819173.db2.gz ORLBXQJZHGJKPH-UHFFFAOYSA-N 0 0 169.253 1.371 10 0 ADAERN C[C@H]1C[C@H]1c1nn(C)c(=S)[nH]1 127774853 343819238 /nfs/dbraw/zinc/81/92/38/343819238.db2.gz DJTQZHPUOWCIBW-CRCLSJGQSA-N 0 0 169.253 1.227 10 0 ADAERN C[C@@H]1CCCN(C(=O)NC2(C)CC2)C1 127813271 343819708 /nfs/dbraw/zinc/81/97/08/343819708.db2.gz CIGSMJISMKYDJF-SECBINFHSA-N 0 0 196.294 1.980 10 0 ADAERN Nc1cnc(C[C@H]2CCCCO2)nc1 127823769 343819711 /nfs/dbraw/zinc/81/97/11/343819711.db2.gz MPJTUEKPVNEVDV-SECBINFHSA-N 0 0 193.250 1.170 10 0 ADAERN c1cc(-c2nc3c([nH]2)CCCC3)n[nH]1 127443475 343811673 /nfs/dbraw/zinc/81/16/73/343811673.db2.gz ZSRCRNQXPYHFNP-UHFFFAOYSA-N 0 0 188.234 1.679 10 0 ADAERN Cc1nn(C)cc1CNn1cccc1 127926757 343820894 /nfs/dbraw/zinc/82/08/94/343820894.db2.gz ZHWBTBHHUZMMGV-UHFFFAOYSA-N 0 0 190.250 1.274 10 0 ADAERN Cn1ncnc1S[C@@H]1CCC(=O)C1 127966280 343821589 /nfs/dbraw/zinc/82/15/89/343821589.db2.gz PLEURBVLFWHTAT-SSDOTTSWSA-N 0 0 197.263 1.029 10 0 ADAERN CC[C@H]1CC(=O)N(C(C)C)C(=O)N1 128025270 343823794 /nfs/dbraw/zinc/82/37/94/343823794.db2.gz SYISXSYRWBKLBC-ZETCQYMHSA-N 0 0 184.239 1.115 10 0 ADAERN CC[C@H]1CC(=O)N(C(C)(C)C)C(=O)N1 128025715 343823814 /nfs/dbraw/zinc/82/38/14/343823814.db2.gz WNSIAARQWIREGV-ZETCQYMHSA-N 0 0 198.266 1.505 10 0 ADAERN CC1(C)CC[C@H](n2nnnc2N)C1 128104113 343824799 /nfs/dbraw/zinc/82/47/99/343824799.db2.gz MOIVKJSFTVJYOZ-LURJTMIESA-N 0 0 181.243 1.007 10 0 ADAERN Cn1nncc1C(=O)C1CCCC1 128091730 343824801 /nfs/dbraw/zinc/82/48/01/343824801.db2.gz ICFVWWCLFLQYKT-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN C[C@H](O)C(C)(C)Nc1cccc(N)c1 128112245 343824804 /nfs/dbraw/zinc/82/48/04/343824804.db2.gz ULCKREXEWOGQIP-QMMMGPOBSA-N 0 0 194.278 1.840 10 0 ADAERN Cc1cn(C2CCC2)c(=O)[nH]1 128093623 343824813 /nfs/dbraw/zinc/82/48/13/343824813.db2.gz WRPOBVVQBQOFEK-UHFFFAOYSA-N 0 0 152.197 1.210 10 0 ADAERN C[C@H]1CC[C@H](Nc2nc(N)ns2)C1 128098736 343824824 /nfs/dbraw/zinc/82/48/24/343824824.db2.gz VQGQWVDCWMVOKE-WDSKDSINSA-N 0 0 198.295 1.721 10 0 ADAERN C[C@@H]1CC[C@H](Nc2nc(N)ns2)C1 128098536 343824831 /nfs/dbraw/zinc/82/48/31/343824831.db2.gz VQGQWVDCWMVOKE-RITPCOANSA-N 0 0 198.295 1.721 10 0 ADAERN Cn1nncc1C(=O)C(C)(C)C 128090030 343824843 /nfs/dbraw/zinc/82/48/43/343824843.db2.gz BLAODNSUVXSVGH-UHFFFAOYSA-N 0 0 167.212 1.044 10 0 ADAERN C[C@H](O)C(C)(C)Nc1cccnc1N 128115744 343825344 /nfs/dbraw/zinc/82/53/44/343825344.db2.gz SEHNWFKNAMFKIF-ZETCQYMHSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@@H]1CC[C@@H](Nc2ccc(N)nn2)C1 128117212 343825351 /nfs/dbraw/zinc/82/53/51/343825351.db2.gz NYCNVAQIHLKTQQ-HTQZYQBOSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@H]1CC[C@H](Nc2ccc(N)nn2)C1 128116967 343825359 /nfs/dbraw/zinc/82/53/59/343825359.db2.gz NYCNVAQIHLKTQQ-YUMQZZPRSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@H]1CC[C@@H](Nc2ccc(N)nn2)C1 128117422 343825374 /nfs/dbraw/zinc/82/53/74/343825374.db2.gz NYCNVAQIHLKTQQ-JGVFFNPUSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2cnnn2C)C1 128123062 343825387 /nfs/dbraw/zinc/82/53/87/343825387.db2.gz MIZBHWYHTMQDSK-JGVFFNPUSA-N 0 0 193.250 1.434 10 0 ADAERN CC1(C)CC[C@H](N2CCCNC2=O)C1 128223238 343826433 /nfs/dbraw/zinc/82/64/33/343826433.db2.gz PMECXWNLXJASEK-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN C[C@@H]1CC[C@@H](n2cnnc2CO)C1 128218351 343826463 /nfs/dbraw/zinc/82/64/63/343826463.db2.gz OIXMMRHPNFTWRC-HTQZYQBOSA-N 0 0 181.239 1.132 10 0 ADAERN Cn1nc(C2(C)CCCC2)nc1N 128273144 343827654 /nfs/dbraw/zinc/82/76/54/343827654.db2.gz SMEHXEVFSDAPBW-UHFFFAOYSA-N 0 0 180.255 1.229 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cn(C)nc1C 128301589 343828385 /nfs/dbraw/zinc/82/83/85/343828385.db2.gz YTWGWBHAUQMUKN-RKDXNWHRSA-N 0 0 178.235 1.421 10 0 ADAERN C[C@H]1CCC[C@](O)(c2cnnn2C)C1 127851500 343820173 /nfs/dbraw/zinc/82/01/73/343820173.db2.gz CFFCMSCEBKLSOF-WCBMZHEXSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@@H]1CCC[C@](O)(c2cnnn2C)C1 127851332 343820253 /nfs/dbraw/zinc/82/02/53/343820253.db2.gz CFFCMSCEBKLSOF-PSASIEDQSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@H](O)c1cn(C)nc1C(C)(C)C 128396878 343830486 /nfs/dbraw/zinc/83/04/86/343830486.db2.gz YJUTVRVBEGKPPL-ZETCQYMHSA-N 0 0 182.267 1.771 10 0 ADAERN C[C@@H](O)c1cn(C)nc1C(C)(C)C 128397089 343830509 /nfs/dbraw/zinc/83/05/09/343830509.db2.gz YJUTVRVBEGKPPL-SSDOTTSWSA-N 0 0 182.267 1.771 10 0 ADAERN C[C@H](O)C(C)(C)Nc1nccs1 128433907 343831192 /nfs/dbraw/zinc/83/11/92/343831192.db2.gz CDNSEDNXVPBCTH-LURJTMIESA-N 0 0 186.280 1.714 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1ncns1 128452091 343831963 /nfs/dbraw/zinc/83/19/63/343831963.db2.gz AZOTXRKNGOBTLY-RXMQYKEDSA-N 0 0 187.268 1.109 10 0 ADAERN CC[C@H](C)[C@H](O)c1cn(C)nc1C 128466326 343832069 /nfs/dbraw/zinc/83/20/69/343832069.db2.gz KHCDXAGSVPAYCR-XVKPBYJWSA-N 0 0 182.267 1.808 10 0 ADAERN CCNc1cncc(N[C@@H](C)CO)c1 128570000 343833928 /nfs/dbraw/zinc/83/39/28/343833928.db2.gz PRORMJCXVVDBKK-QMMMGPOBSA-N 0 0 195.266 1.306 10 0 ADAERN Cc1cccc(N)c1OCCF 128623298 343834538 /nfs/dbraw/zinc/83/45/38/343834538.db2.gz KRDRYTXTEXPGBP-UHFFFAOYSA-N 0 0 169.199 1.926 10 0 ADAERN Cc1nn(C)cc1[C@@H]1NC[C@H](C)S1 128685348 343836408 /nfs/dbraw/zinc/83/64/08/343836408.db2.gz LKBDOHKWOKRODM-IMTBSYHQSA-N 0 0 197.307 1.452 10 0 ADAERN CCc1nc(-c2ccc(N)cn2)n[nH]1 128697398 343836412 /nfs/dbraw/zinc/83/64/12/343836412.db2.gz UWXIFKQXRXRTIH-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN Cc1coc(NC(=O)NC2CC2)n1 128844150 343838616 /nfs/dbraw/zinc/83/86/16/343838616.db2.gz WJBXHALIEODUSK-UHFFFAOYSA-N 0 0 181.195 1.267 10 0 ADAERN Cn1nncc1[C@@H]1CCCC(=O)C1 128829702 343838837 /nfs/dbraw/zinc/83/88/37/343838837.db2.gz AJGFGXVLTDYMPV-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN C[C@@H]1CC[C@@H](NC#N)C1 128942507 343840535 /nfs/dbraw/zinc/84/05/35/343840535.db2.gz MNTGWSDSCWNOSZ-RNFRBKRXSA-N 0 0 124.187 1.246 10 0 ADAERN CCOC(=N)C[C@H](C)OC 129042375 343843095 /nfs/dbraw/zinc/84/30/95/343843095.db2.gz SJPHDJWZJPUUPP-LURJTMIESA-N 0 0 145.202 1.425 10 0 ADAERN COC(=N)C[C@@H]1CCCCO1 129041700 343843125 /nfs/dbraw/zinc/84/31/25/343843125.db2.gz FZLDQZPDLZYHFN-ZETCQYMHSA-N 0 0 157.213 1.569 10 0 ADAERN CCC1(NC(=S)NC)CCC1 129048545 343843143 /nfs/dbraw/zinc/84/31/43/343843143.db2.gz UZDXAPVXIKBKRT-UHFFFAOYSA-N 0 0 172.297 1.413 10 0 ADAERN CSCCN1CCCC(=O)C1 129184821 343845670 /nfs/dbraw/zinc/84/56/70/343845670.db2.gz XBKAHEJZUACZQZ-UHFFFAOYSA-N 0 0 173.281 1.014 10 0 ADAERN C[C@@H]1CC[C@H](N2CCC(=O)CC2=O)C1 129241837 343847216 /nfs/dbraw/zinc/84/72/16/343847216.db2.gz REKVOENDVKDOFT-BDAKNGLRSA-N 0 0 195.262 1.367 10 0 ADAERN Cc1cc(F)cc2c1O[C@@H](C)[C@H]2O 129342930 343848640 /nfs/dbraw/zinc/84/86/40/343848640.db2.gz IBUNOOPRNMTBHP-IMTBSYHQSA-N 0 0 182.194 1.948 10 0 ADAERN Cc1c(N)n[nH]c1[C@H]1CCCO1 129349943 343848908 /nfs/dbraw/zinc/84/89/08/343848908.db2.gz OTNIIFNZFDZNEX-ZCFIWIBFSA-N 0 0 167.212 1.152 10 0 ADAERN Cc1ccc2c(c1)[C@H](NN)CC2 129379414 343849541 /nfs/dbraw/zinc/84/95/41/343849541.db2.gz VDMAJJLQSQCLIJ-SNVBAGLBSA-N 0 0 162.236 1.446 10 0 ADAERN Cc1ccc2c(c1)[C@@H](NN)CC2 129379657 343849546 /nfs/dbraw/zinc/84/95/46/343849546.db2.gz VDMAJJLQSQCLIJ-JTQLQIEISA-N 0 0 162.236 1.446 10 0 ADAERN CCn1cc2c(N)cccc2n1 129457112 343850438 /nfs/dbraw/zinc/85/04/38/343850438.db2.gz PLAGILYMNHLSEW-UHFFFAOYSA-N 0 0 161.208 1.638 10 0 ADAERN CCn1c(N)nc2c(OC)cccc21 129705545 343855247 /nfs/dbraw/zinc/85/52/47/343855247.db2.gz GLSUEMNOKSOKQM-UHFFFAOYSA-N 0 0 191.234 1.647 10 0 ADAERN COc1cccc2c1NC(=O)[C@H](C)N2 129722112 343855253 /nfs/dbraw/zinc/85/52/53/343855253.db2.gz PGJPYWVXGAWOOJ-LURJTMIESA-N 0 0 192.218 1.448 10 0 ADAERN C[C@H]1CC[C@H](N2CN=NC2=S)C1 129717960 343855255 /nfs/dbraw/zinc/85/52/55/343855255.db2.gz PXCMXVXOPRHFMA-BQBZGAKWSA-N 0 0 183.280 1.928 10 0 ADAERN COc1nc2nc(C)cc(Cl)n2n1 129695798 343855259 /nfs/dbraw/zinc/85/52/59/343855259.db2.gz HFLOAXOKOQAZFQ-UHFFFAOYSA-N 0 0 198.613 1.095 10 0 ADAERN C[C@@H]1CC[C@@H](N2CN=NC2=S)C1 129718188 343855261 /nfs/dbraw/zinc/85/52/61/343855261.db2.gz PXCMXVXOPRHFMA-RNFRBKRXSA-N 0 0 183.280 1.928 10 0 ADAERN C[C@H]1CC[C@@H](N2CN=NC2=S)C1 129718407 343855277 /nfs/dbraw/zinc/85/52/77/343855277.db2.gz PXCMXVXOPRHFMA-NKWVEPMBSA-N 0 0 183.280 1.928 10 0 ADAERN CCOc1cccc2c1NC(=O)CN2 129723358 343855288 /nfs/dbraw/zinc/85/52/88/343855288.db2.gz UGIXJAPQTNPRMB-UHFFFAOYSA-N 0 0 192.218 1.449 10 0 ADAERN COc1cccc2c1NC[C@H](C)N2 129735216 343855893 /nfs/dbraw/zinc/85/58/93/343855893.db2.gz QYNVVOAKIJZAFS-ZETCQYMHSA-N 0 0 178.235 1.921 10 0 ADAERN C[C@H]1NCC(=O)N1[C@@H]1CCC(C)(C)C1 130034075 343860628 /nfs/dbraw/zinc/86/06/28/343860628.db2.gz SSJXSKLEWRNZCG-DTWKUNHWSA-N 0 0 196.294 1.343 10 0 ADAERN COC(=O)N1CC[C@H](C(C)C)C1 130053748 343861398 /nfs/dbraw/zinc/86/13/98/343861398.db2.gz ZLXMCBNKYPCFJQ-QMMMGPOBSA-N 0 0 171.240 1.731 10 0 ADAERN COc1cccc(N(C)OC)c1N 129591147 343853802 /nfs/dbraw/zinc/85/38/02/343853802.db2.gz PXPPCUREQPBTQR-UHFFFAOYSA-N 0 0 182.223 1.275 10 0 ADAERN CN(c1cncc(N)n1)C1CCC1 129637915 343854180 /nfs/dbraw/zinc/85/41/80/343854180.db2.gz ADBLODBICRRYOC-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN COc1cccc(NN(C)C)c1N 129642469 343854276 /nfs/dbraw/zinc/85/42/76/343854276.db2.gz WLEVJQAFQYGIBN-UHFFFAOYSA-N 0 0 181.239 1.166 10 0 ADAERN CSCC[C@@H]1CSCC1=O 129621863 343854279 /nfs/dbraw/zinc/85/42/79/343854279.db2.gz UVNCFTLVAOGGFU-ZCFIWIBFSA-N 0 0 176.306 1.672 10 0 ADAERN O[C@H](c1cc[nH]c1)C(F)F 129623380 343854286 /nfs/dbraw/zinc/85/42/86/343854286.db2.gz XHTRIMRUKDFQCX-RXMQYKEDSA-N 0 0 147.124 1.313 10 0 ADAERN CC(C)(CCO)Nc1cccnn1 129623748 343854288 /nfs/dbraw/zinc/85/42/88/343854288.db2.gz DOMDALHOYNMHJV-UHFFFAOYSA-N 0 0 181.239 1.050 10 0 ADAERN CN[C@H](C)c1nnc(C(F)(F)F)o1 129649931 343854290 /nfs/dbraw/zinc/85/42/90/343854290.db2.gz BTIYYCYHMDMKLV-GSVOUGTGSA-N 0 0 195.144 1.369 10 0 ADAERN O[C@@H](c1ccc[nH]1)C(F)F 129622678 343854304 /nfs/dbraw/zinc/85/43/04/343854304.db2.gz SLTDZZNZLHCHEQ-YFKPBYRVSA-N 0 0 147.124 1.313 10 0 ADAERN O=C1CCC[C@@H](OCC(F)F)C1 130680197 343872644 /nfs/dbraw/zinc/87/26/44/343872644.db2.gz WTTPHGITFKHZIP-SSDOTTSWSA-N 0 0 178.178 1.780 10 0 ADAERN C[C@]1(C(=O)Cc2ccoc2)CCCO1 130681392 343872720 /nfs/dbraw/zinc/87/27/20/343872720.db2.gz URHFPDSILDZEKV-LLVKDONJSA-N 0 0 194.230 1.960 10 0 ADAERN O[C@@H]1CCC[C@H]1OCC(F)F 130751303 343874587 /nfs/dbraw/zinc/87/45/87/343874587.db2.gz KHNOKLMDTJMXNA-PHDIDXHHSA-N 0 0 166.167 1.182 10 0 ADAERN CSCCC[C@@H](O)C1CC1 130306853 343866318 /nfs/dbraw/zinc/86/63/18/343866318.db2.gz GGRMTFTYJYUBGO-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN CSCCC[C@H](O)C1CC1 130306644 343866344 /nfs/dbraw/zinc/86/63/44/343866344.db2.gz GGRMTFTYJYUBGO-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN O[C@H](Cc1ccco1)c1ccccn1 130315088 343866349 /nfs/dbraw/zinc/86/63/49/343866349.db2.gz WTVYGGYWEWAUAI-LLVKDONJSA-N 0 0 189.214 1.951 10 0 ADAERN O[C@@H](Cc1ccoc1)c1ccncc1 130300986 343866357 /nfs/dbraw/zinc/86/63/57/343866357.db2.gz NYDTZAKOXZJIOF-NSHDSACASA-N 0 0 189.214 1.951 10 0 ADAERN Cn1cc([C@H](O)Cc2ccoc2)cn1 130311943 343866365 /nfs/dbraw/zinc/86/63/65/343866365.db2.gz MVQAITRJQZEHJI-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN O[C@@H](Cc1ccoc1)c1cccnc1 130313948 343866369 /nfs/dbraw/zinc/86/63/69/343866369.db2.gz YJTPSBWULYBVTN-NSHDSACASA-N 0 0 189.214 1.951 10 0 ADAERN C[C@H](O)c1nc(C(F)(F)F)no1 130314374 343866374 /nfs/dbraw/zinc/86/63/74/343866374.db2.gz HBOYSPFPSAPVHA-REOHCLBHSA-N 0 0 182.101 1.142 10 0 ADAERN Cn1cc([C@@H](O)Cc2ccco2)cn1 130312629 343866390 /nfs/dbraw/zinc/86/63/90/343866390.db2.gz ZTUGBMWVLROUDF-JTQLQIEISA-N 0 0 192.218 1.289 10 0 ADAERN C[C@H]1C[C@@](O)(Cc2ccoc2)CCO1 130406372 343868276 /nfs/dbraw/zinc/86/82/76/343868276.db2.gz QBNAQVCDCFDFIC-GXSJLCMTSA-N 0 0 196.246 1.752 10 0 ADAERN O=C(Cc1ccco1)c1cnccn1 130588861 343870378 /nfs/dbraw/zinc/87/03/78/343870378.db2.gz BZQOZINKGOCCGU-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2cncc(N)n2)C1 130606235 343870881 /nfs/dbraw/zinc/87/08/81/343870881.db2.gz UPKYJNWVGKGBLO-HTQZYQBOSA-N 0 0 192.266 1.294 10 0 ADAERN C[C@H]1C[C@H](C)N(c2cncc(N)n2)C1 130606055 343870894 /nfs/dbraw/zinc/87/08/94/343870894.db2.gz UPKYJNWVGKGBLO-YUMQZZPRSA-N 0 0 192.266 1.294 10 0 ADAERN O=C(Cc1ccco1)[C@H]1CCCOC1 130632759 343871666 /nfs/dbraw/zinc/87/16/66/343871666.db2.gz SHRZOSZSQWZHKE-VIFPVBQESA-N 0 0 194.230 1.818 10 0 ADAERN O=C(Cc1ccco1)[C@@H]1CCCOC1 130632540 343871667 /nfs/dbraw/zinc/87/16/67/343871667.db2.gz SHRZOSZSQWZHKE-SECBINFHSA-N 0 0 194.230 1.818 10 0 ADAERN Fc1cc(OCC(F)F)ncn1 130625594 343871668 /nfs/dbraw/zinc/87/16/68/343871668.db2.gz OJLUFJLZSOSLEK-UHFFFAOYSA-N 0 0 178.113 1.260 10 0 ADAERN O=C(Cc1ccco1)[C@H]1CCOC1 130631477 343871678 /nfs/dbraw/zinc/87/16/78/343871678.db2.gz GLSBMYSINLWMEC-QMMMGPOBSA-N 0 0 180.203 1.428 10 0 ADAERN Cn1cc(C(=O)Cc2ccco2)cn1 130629328 343871680 /nfs/dbraw/zinc/87/16/80/343871680.db2.gz MGNSNXJHODNSGZ-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN O=C(Cc1ccco1)[C@@H]1CCCO1 130630438 343871683 /nfs/dbraw/zinc/87/16/83/343871683.db2.gz ZTBZKRWDSZXFNI-JTQLQIEISA-N 0 0 180.203 1.570 10 0 ADAERN O=C(Cc1ccoc1)[C@@H]1CCOC1 130630836 343871684 /nfs/dbraw/zinc/87/16/84/343871684.db2.gz OWXCVMHERCQZJH-SECBINFHSA-N 0 0 180.203 1.428 10 0 ADAERN O=C(Cc1ccco1)C1CCOCC1 130631902 343871692 /nfs/dbraw/zinc/87/16/92/343871692.db2.gz BUKYYYLKIIWMLK-UHFFFAOYSA-N 0 0 194.230 1.818 10 0 ADAERN COC(=O)N[C@@H]1CCCCC[C@H]1O 130915828 343877841 /nfs/dbraw/zinc/87/78/41/343877841.db2.gz DEOGENXVYKQMFT-HTQZYQBOSA-N 0 0 187.239 1.036 10 0 ADAERN NNc1sccc1Br 130972175 343878122 /nfs/dbraw/zinc/87/81/22/343878122.db2.gz ODTGLUVTANPJTE-UHFFFAOYSA-N 0 0 193.069 1.796 10 0 ADAERN NN[C@@H]1C[C@H]1c1ccccc1 130964973 343878325 /nfs/dbraw/zinc/87/83/25/343878325.db2.gz JAEAPWLWSZTGAD-DTWKUNHWSA-N 0 0 148.209 1.006 10 0 ADAERN NNc1cscc1Br 130964091 343878345 /nfs/dbraw/zinc/87/83/45/343878345.db2.gz CIZMGDSECQOLIB-UHFFFAOYSA-N 0 0 193.069 1.796 10 0 ADAERN CC(C)Oc1cncc(NN)c1 130973405 343878350 /nfs/dbraw/zinc/87/83/50/343878350.db2.gz YNSHLMXZMPFQIU-UHFFFAOYSA-N 0 0 167.212 1.154 10 0 ADAERN NN[C@@H]1C[C@@H]1c1ccccc1 130965179 343878361 /nfs/dbraw/zinc/87/83/61/343878361.db2.gz JAEAPWLWSZTGAD-RKDXNWHRSA-N 0 0 148.209 1.006 10 0 ADAERN CCSc1cccnc1C[NH3+] 131007431 343878813 /nfs/dbraw/zinc/87/88/13/343878813.db2.gz FOUGBFVLUSNGLM-UHFFFAOYSA-N 0 0 168.265 1.652 10 0 ADAERN CCOC(C)(C)C(N)=S 131020506 343878872 /nfs/dbraw/zinc/87/88/72/343878872.db2.gz OQPQWVMSXUUHNO-UHFFFAOYSA-N 0 0 147.243 1.088 10 0 ADAERN COc1ccc2c(c1)O[C@@H](C)C[C@@H]2O 131001203 343878876 /nfs/dbraw/zinc/87/88/76/343878876.db2.gz BPNKHCYDQBHFET-XVKPBYJWSA-N 0 0 194.230 1.900 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)NC(C)(C)C 130999368 343878895 /nfs/dbraw/zinc/87/88/95/343878895.db2.gz WZKWZXGLWITIRO-NKWVEPMBSA-N 0 0 170.256 1.493 10 0 ADAERN COC1(c2noc([C@@H](C)N)n2)CCC1 131035455 343879309 /nfs/dbraw/zinc/87/93/09/343879309.db2.gz NMQWQXQIYIRLAD-ZCFIWIBFSA-N 0 0 197.238 1.115 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)C[C@H](C)O2 131077417 343880104 /nfs/dbraw/zinc/88/01/04/343880104.db2.gz IFALBIFMBSGHLS-XVKPBYJWSA-N 0 0 194.230 1.900 10 0 ADAERN CON[C@@H]1CCOc2c(F)cccc21 131249186 343883005 /nfs/dbraw/zinc/88/30/05/343883005.db2.gz OVSIPWAHGGKQKQ-SECBINFHSA-N 0 0 197.209 1.800 10 0 ADAERN N[C@@H](c1ccoc1)c1ncccc1F 131324890 343884046 /nfs/dbraw/zinc/88/40/46/343884046.db2.gz CUNWULLNABSRAZ-VIFPVBQESA-N 0 0 192.193 1.862 10 0 ADAERN N[C@H](c1ccco1)c1ncccc1F 131343013 343884053 /nfs/dbraw/zinc/88/40/53/343884053.db2.gz VRKAMYJPHUMBAQ-SECBINFHSA-N 0 0 192.193 1.862 10 0 ADAERN O[C@H]1CCC[C@@H](OCC(F)F)C1 130756606 343874601 /nfs/dbraw/zinc/87/46/01/343874601.db2.gz PCYQRHMMDAOACR-NKWVEPMBSA-N 0 0 180.194 1.572 10 0 ADAERN O[C@@H]1CCCCC[C@H]1OCC(F)F 130762315 343874603 /nfs/dbraw/zinc/87/46/03/343874603.db2.gz HHHXHFRULULJHL-HTQZYQBOSA-N 0 0 194.221 1.962 10 0 ADAERN O[C@H]1CC[C@H](OCC(F)F)C1 130763365 343874605 /nfs/dbraw/zinc/87/46/05/343874605.db2.gz ZJEKRYLWPHAWTE-WDSKDSINSA-N 0 0 166.167 1.182 10 0 ADAERN C[C@H](O)[C@@H](C)OCC(F)F 130749024 343874608 /nfs/dbraw/zinc/87/46/08/343874608.db2.gz DTTKUMOWMOEOTL-CRCLSJGQSA-N 0 0 154.156 1.037 10 0 ADAERN O[C@H]1CCC[C@H]1OCC(F)F 130751092 343874616 /nfs/dbraw/zinc/87/46/16/343874616.db2.gz KHNOKLMDTJMXNA-NTSWFWBYSA-N 0 0 166.167 1.182 10 0 ADAERN O[C@H]1CCC[C@H](OCC(F)F)C1 130757015 343874621 /nfs/dbraw/zinc/87/46/21/343874621.db2.gz PCYQRHMMDAOACR-BQBZGAKWSA-N 0 0 180.194 1.572 10 0 ADAERN O[C@H]1CCC[C@@H]1OCC(F)F 130751499 343874671 /nfs/dbraw/zinc/87/46/71/343874671.db2.gz KHNOKLMDTJMXNA-WDSKDSINSA-N 0 0 166.167 1.182 10 0 ADAERN O[C@H]1CC[C@@H](OCC(F)F)C1 130763559 343874714 /nfs/dbraw/zinc/87/47/14/343874714.db2.gz ZJEKRYLWPHAWTE-NTSWFWBYSA-N 0 0 166.167 1.182 10 0 ADAERN O[C@@H]1CCC[C@H](OCC(F)F)C1 130757210 343874719 /nfs/dbraw/zinc/87/47/19/343874719.db2.gz PCYQRHMMDAOACR-RQJHMYQMSA-N 0 0 180.194 1.572 10 0 ADAERN O[C@H]1CCCC[C@@H]1OCC(F)F 130774286 343875180 /nfs/dbraw/zinc/87/51/80/343875180.db2.gz ZPKKCDTUZYCIRJ-BQBZGAKWSA-N 0 0 180.194 1.572 10 0 ADAERN C[C@@]1([C@H](O)Cc2ccco2)CCCO1 130858823 343876532 /nfs/dbraw/zinc/87/65/32/343876532.db2.gz KHHIZMYIPQVGBR-MNOVXSKESA-N 0 0 196.246 1.752 10 0 ADAERN Nc1csc(Cc2cccnc2)n1 131839463 343889312 /nfs/dbraw/zinc/88/93/12/343889312.db2.gz SQJSDLLWHUHBCX-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(N)cs1 131869635 343889883 /nfs/dbraw/zinc/88/98/83/343889883.db2.gz JIWOVIKTYZWDFT-WHFBIAKZSA-N 0 0 154.238 1.849 10 0 ADAERN Nc1csc(-c2cscn2)n1 131871475 343890429 /nfs/dbraw/zinc/89/04/29/343890429.db2.gz SMJQQTANPPKGLU-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN Cc1sc(C[C@@H]2CCCO2)nc1N 131888760 343890438 /nfs/dbraw/zinc/89/04/38/343890438.db2.gz KEFUMOXSZNMDFC-ZETCQYMHSA-N 0 0 198.291 1.755 10 0 ADAERN Cc1sc(C[NH+](C)C)nc1N 131881851 343890441 /nfs/dbraw/zinc/89/04/41/343890441.db2.gz RCXRCTVGSXTJFK-UHFFFAOYSA-N 0 0 171.269 1.095 10 0 ADAERN Cc1cc(F)cc(-c2nc(N)no2)c1 131886489 343890455 /nfs/dbraw/zinc/89/04/55/343890455.db2.gz MLEDPUQOBGDHPL-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN c1csc(C[C@H]2CCCO2)n1 131871620 343890457 /nfs/dbraw/zinc/89/04/57/343890457.db2.gz KLOZXERJRVYBDK-SSDOTTSWSA-N 0 0 169.249 1.865 10 0 ADAERN Cc1nccc(-c2nc(N)cs2)n1 131871695 343890458 /nfs/dbraw/zinc/89/04/58/343890458.db2.gz DXZXZIHSSMIRJO-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1sc([C@@H]2CCCOC2)nc1N 131876491 343890465 /nfs/dbraw/zinc/89/04/65/343890465.db2.gz JHVGBOJRLSEGIT-SSDOTTSWSA-N 0 0 198.291 1.928 10 0 ADAERN Cc1sc(-c2cnn(C)c2)nc1N 131889622 343890470 /nfs/dbraw/zinc/89/04/70/343890470.db2.gz KFLFVAMVDZBEGA-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1cc(F)cc(C(=O)NC#N)c1 131872289 343890474 /nfs/dbraw/zinc/89/04/74/343890474.db2.gz GBHQZSCKBCTPIL-UHFFFAOYSA-N 0 0 178.166 1.345 10 0 ADAERN c1csc([C@@H]2CCOC2)n1 131875416 343890476 /nfs/dbraw/zinc/89/04/76/343890476.db2.gz LDTXEESKBVEUIG-ZCFIWIBFSA-N 0 0 155.222 1.647 10 0 ADAERN Cc1sc(-c2nccn2C)nc1N 131892370 343890720 /nfs/dbraw/zinc/89/07/20/343890720.db2.gz RBDHXFCMTUHACJ-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCN(C)C(=O)c1cc(C)cc(N)c1 131931812 343891102 /nfs/dbraw/zinc/89/11/02/343891102.db2.gz FELUYKTWHMJYBH-UHFFFAOYSA-N 0 0 192.262 1.669 10 0 ADAERN CON(C)C(=O)c1cc(C)cc(N)c1 131937122 343891228 /nfs/dbraw/zinc/89/12/28/343891228.db2.gz DNOSLTVPIIFXHQ-UHFFFAOYSA-N 0 0 194.234 1.211 10 0 ADAERN COc1ccc2c(c1)C[C@@H](NO)CC2 132073682 343893532 /nfs/dbraw/zinc/89/35/32/343893532.db2.gz XPGXMQFNYQXMMN-JTQLQIEISA-N 0 0 193.246 1.531 10 0 ADAERN CC[C@@H]1CCN[C@@H](c2nc(C)no2)C1 132050236 343893534 /nfs/dbraw/zinc/89/35/34/343893534.db2.gz RTEMKFUPVHZVDV-RKDXNWHRSA-N 0 0 195.266 1.829 10 0 ADAERN OC[C@]1(Cc2ccoc2)CCOC1 132136412 343894803 /nfs/dbraw/zinc/89/48/03/343894803.db2.gz HHTLVKGEFAIOMB-SNVBAGLBSA-N 0 0 182.219 1.221 10 0 ADAERN C[C@@H](NO)C1CCCCC1 132172924 343895177 /nfs/dbraw/zinc/89/51/77/343895177.db2.gz VQYMWQOUNJDHQG-SSDOTTSWSA-N 0 0 143.230 1.934 10 0 ADAERN ONCc1cccc2c1OCCCO2 132157426 343895179 /nfs/dbraw/zinc/89/51/79/343895179.db2.gz XOVXQMQPPMTBQO-UHFFFAOYSA-N 0 0 195.218 1.327 10 0 ADAERN C[C@@H](NO)c1ccc(NC(N)=O)cc1 132152974 343895189 /nfs/dbraw/zinc/89/51/89/343895189.db2.gz ZGSCUJLBCIRTSM-ZCFIWIBFSA-N 0 0 195.222 1.217 10 0 ADAERN Cc1ncsc1[C@@H](C)NO 132156759 343895197 /nfs/dbraw/zinc/89/51/97/343895197.db2.gz DCHCSGYFANPTRK-RXMQYKEDSA-N 0 0 158.226 1.491 10 0 ADAERN ON[C@@H]1CCCc2cc(O)ccc21 132171139 343895199 /nfs/dbraw/zinc/89/51/99/343895199.db2.gz CTWWNVKQUPAOAY-SNVBAGLBSA-N 0 0 179.219 1.748 10 0 ADAERN CCCc1ncc2c(n1)CC[NH2+]C2 132187066 343895584 /nfs/dbraw/zinc/89/55/84/343895584.db2.gz OUUGHPYXMXYTIV-UHFFFAOYSA-N 0 0 177.251 1.075 10 0 ADAERN ON[C@@H]1CSCc2ccccc21 132180391 343895586 /nfs/dbraw/zinc/89/55/86/343895586.db2.gz VARZVOCGEQMKMW-SECBINFHSA-N 0 0 181.260 1.953 10 0 ADAERN C[C@H]1Nc2ncnc(Cl)c2O[C@@H]1C 132207711 343895593 /nfs/dbraw/zinc/89/55/93/343895593.db2.gz WTIXLAGTNFAVAD-RFZPGFLSSA-N 0 0 199.641 1.711 10 0 ADAERN C[C@@H]1CN(C)c2ncnc(Cl)c2O1 132202104 343895594 /nfs/dbraw/zinc/89/55/94/343895594.db2.gz PCCRJTMSKJVWDC-RXMQYKEDSA-N 0 0 199.641 1.347 10 0 ADAERN C[C@H]1COc2c(Cl)ncnc2N1 132209174 343895601 /nfs/dbraw/zinc/89/56/01/343895601.db2.gz RRQZPWQMHSELCA-BYPYZUCNSA-N 0 0 185.614 1.323 10 0 ADAERN CCN1CCOc2c(Cl)ncnc21 132207054 343895602 /nfs/dbraw/zinc/89/56/02/343895602.db2.gz RQIZTHXRCKJPFD-UHFFFAOYSA-N 0 0 199.641 1.349 10 0 ADAERN C[C@H]1CNc2ncnc(Cl)c2O1 132211665 343895607 /nfs/dbraw/zinc/89/56/07/343895607.db2.gz NQTHKAJVAQTLMC-BYPYZUCNSA-N 0 0 185.614 1.323 10 0 ADAERN CC[C@H]1COc2c(Cl)ncnc2N1 132211230 343895609 /nfs/dbraw/zinc/89/56/09/343895609.db2.gz QYLLNIKXQLUPMA-YFKPBYRVSA-N 0 0 199.641 1.713 10 0 ADAERN C[C@@H]1Nc2ncnc(Cl)c2O[C@@H]1C 132207912 343895613 /nfs/dbraw/zinc/89/56/13/343895613.db2.gz WTIXLAGTNFAVAD-CRCLSJGQSA-N 0 0 199.641 1.711 10 0 ADAERN C[C@@H]1COc2c(Cl)ncnc2N1 132208951 343895614 /nfs/dbraw/zinc/89/56/14/343895614.db2.gz RRQZPWQMHSELCA-SCSAIBSYSA-N 0 0 185.614 1.323 10 0 ADAERN CC[C@H]1CNc2ncnc(Cl)c2O1 132212056 343895622 /nfs/dbraw/zinc/89/56/22/343895622.db2.gz LLRBOJOSZVXYQT-YFKPBYRVSA-N 0 0 199.641 1.713 10 0 ADAERN C[C@@H]1CNc2ncnc(Cl)c2O1 132211451 343895623 /nfs/dbraw/zinc/89/56/23/343895623.db2.gz NQTHKAJVAQTLMC-SCSAIBSYSA-N 0 0 185.614 1.323 10 0 ADAERN COC1(c2nsc(N)n2)CCC1 131405207 343885089 /nfs/dbraw/zinc/88/50/89/343885089.db2.gz FSOUQCHXSWSHGM-UHFFFAOYSA-N 0 0 185.252 1.146 10 0 ADAERN CON[C@H]1COc2cc(Cl)ccc21 131504651 343886010 /nfs/dbraw/zinc/88/60/10/343886010.db2.gz OPXSJIQTYRTCCZ-QMMMGPOBSA-N 0 0 199.637 1.925 10 0 ADAERN CON[C@@H]1COc2c(F)ccc(C)c21 131488032 343886033 /nfs/dbraw/zinc/88/60/33/343886033.db2.gz OPDYLGGLGRKALX-MRVPVSSYSA-N 0 0 197.209 1.719 10 0 ADAERN Cc1cc2c(cc1Cl)NC(=O)[C@@H]2O 131580244 343886521 /nfs/dbraw/zinc/88/65/21/343886521.db2.gz KLZNILHHFNHNNR-MRVPVSSYSA-N 0 0 197.621 1.634 10 0 ADAERN CON[C@@H]1CCOc2cc(C)ccc21 131513771 343886529 /nfs/dbraw/zinc/88/65/29/343886529.db2.gz VCTWMMVDQCVYCQ-SNVBAGLBSA-N 0 0 193.246 1.970 10 0 ADAERN COC1(C(=O)C(C)C)CCC1 131587872 343886558 /nfs/dbraw/zinc/88/65/58/343886558.db2.gz DKNMSOHPUKWZLK-UHFFFAOYSA-N 0 0 156.225 1.781 10 0 ADAERN COC(=O)c1cc(N)cc(C)c1F 131638477 343887018 /nfs/dbraw/zinc/88/70/18/343887018.db2.gz LHDXUWRICBSFRG-UHFFFAOYSA-N 0 0 183.182 1.503 10 0 ADAERN S=c1[nH]ccn1Cc1cncs1 131645977 343887030 /nfs/dbraw/zinc/88/70/30/343887030.db2.gz QNRWQIDFZJKCBV-UHFFFAOYSA-N 0 0 197.288 1.677 10 0 ADAERN COC1(C(=O)C2CC2)CCC1 131605203 343887035 /nfs/dbraw/zinc/88/70/35/343887035.db2.gz IWFFNMBOMSREII-UHFFFAOYSA-N 0 0 154.209 1.535 10 0 ADAERN COC1([C@H](O)c2ccnn2C)CCC1 132366211 343897412 /nfs/dbraw/zinc/89/74/12/343897412.db2.gz UYPAJFHGYUQFCH-SECBINFHSA-N 0 0 196.250 1.023 10 0 ADAERN Cc1ccc(N[C@H](C)CCO)cc1N 132355339 343897448 /nfs/dbraw/zinc/89/74/48/343897448.db2.gz DDVSGJLZYIQLFU-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)c1nnc2cncc(Cl)n12 132513161 343899450 /nfs/dbraw/zinc/89/94/50/343899450.db2.gz IMDBMFLLZKKIFJ-UHFFFAOYSA-N 0 0 196.641 1.901 10 0 ADAERN CC[C@]1(C)N[C@@H](CC(C)C)N(C)C1=O 132502748 343899535 /nfs/dbraw/zinc/89/95/35/343899535.db2.gz ZYAKRZVVMIRRLU-KOLCDFICSA-N 0 0 198.310 1.589 10 0 ADAERN CC(=O)[C@@]1(C)CCCS1 132530541 343900112 /nfs/dbraw/zinc/90/01/12/343900112.db2.gz XEBCPEQNFLBQDM-SSDOTTSWSA-N 0 0 144.239 1.861 10 0 ADAERN Brc1cnns1 59811183 166009168 /nfs/dbraw/zinc/00/91/68/166009168.db2.gz LSEHIBCSNHQYJQ-UHFFFAOYSA-N 0 0 165.015 1.301 10 0 ADAERN Brc1cccc2nnoc12 82384078 166009201 /nfs/dbraw/zinc/00/92/01/166009201.db2.gz WZLXQPBRDXLJRR-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1ncnc2[nH]ccc12 100728771 166009208 /nfs/dbraw/zinc/00/92/08/166009208.db2.gz KCVRDETUCONJBS-UHFFFAOYSA-N 0 0 198.023 1.498 10 0 ADAERN Brc1ccnc2cnoc12 82384083 166009291 /nfs/dbraw/zinc/00/92/91/166009291.db2.gz HJQIJKQPDRIPCL-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1cn(C2CC2)cn1 72193489 166009407 /nfs/dbraw/zinc/00/94/07/166009407.db2.gz WDWDZIBKBVMRBR-UHFFFAOYSA-N 0 0 187.040 1.981 10 0 ADAERN Brc1nc2nccnc2[nH]1 83282960 166009450 /nfs/dbraw/zinc/00/94/50/166009450.db2.gz LGYFUDXCTDYWGR-UHFFFAOYSA-N 0 0 199.011 1.115 10 0 ADAERN Brc1ncc2cnccn12 75842554 166009488 /nfs/dbraw/zinc/00/94/88/166009488.db2.gz DAQARHTXLRYRMS-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN Brc1nccc2ccnn12 82384701 166009506 /nfs/dbraw/zinc/00/95/06/166009506.db2.gz LEFWZDNGNJDQRR-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN Brc1cnsn1 59138044 166009542 /nfs/dbraw/zinc/00/95/42/166009542.db2.gz PDUOISXIWSGDHH-UHFFFAOYSA-N 0 0 165.015 1.301 10 0 ADAERN Brc1nc2ncccc2o1 75842520 166009610 /nfs/dbraw/zinc/00/96/10/166009610.db2.gz JHYKQJYHFTYDNU-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1ncc2cnoc2n1 82383457 166009645 /nfs/dbraw/zinc/00/96/45/166009645.db2.gz DHSJNLFPGOJLGM-UHFFFAOYSA-N 0 0 199.995 1.380 10 0 ADAERN Brc1ccc2nnoc2c1 82384079 166009775 /nfs/dbraw/zinc/00/97/75/166009775.db2.gz IYPQMJAXHQVJAY-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1ncnc2oncc12 82383456 166009862 /nfs/dbraw/zinc/00/98/62/166009862.db2.gz JCTULEPTZBXCBV-UHFFFAOYSA-N 0 0 199.995 1.380 10 0 ADAERN Brc1ccc2onnc2c1 82384080 166009884 /nfs/dbraw/zinc/00/98/84/166009884.db2.gz PHJJTETWCBBLGZ-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1ccc2cnnn2c1 34773656 166009893 /nfs/dbraw/zinc/00/98/93/166009893.db2.gz YAQYDFCGUAJVMU-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN Brc1ccc2cnoc2n1 82384077 166010108 /nfs/dbraw/zinc/01/01/08/166010108.db2.gz WSEMSIHDYBXALO-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1ncnc2cccn12 116062838 166010115 /nfs/dbraw/zinc/01/01/15/166010115.db2.gz GEQXPGQCCLYAFC-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN Brc1nccc2ocnc12 299888924 166010164 /nfs/dbraw/zinc/01/01/64/166010164.db2.gz AQQUPPBMQOJUKX-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1ncc2oncc2n1 82383454 166010175 /nfs/dbraw/zinc/01/01/75/166010175.db2.gz YLKPFZCIPPKHDN-UHFFFAOYSA-N 0 0 199.995 1.380 10 0 ADAERN Brc1nccc2c1CNC2 95764366 166010178 /nfs/dbraw/zinc/01/01/78/166010178.db2.gz ALBFMVKTTFUSDR-UHFFFAOYSA-N 0 0 199.051 1.447 10 0 ADAERN Brc1ncc2c[nH]nc2n1 82384073 166010186 /nfs/dbraw/zinc/01/01/86/166010186.db2.gz NXLBVGPTPLENGR-UHFFFAOYSA-N 0 0 199.011 1.115 10 0 ADAERN Brc1n[nH]nc1C1CC1 91366386 166010198 /nfs/dbraw/zinc/01/01/98/166010198.db2.gz NNXCZGVLWBNSOY-UHFFFAOYSA-N 0 0 188.028 1.445 10 0 ADAERN Brc1ncn2ccoc12 82391920 166010247 /nfs/dbraw/zinc/01/02/47/166010247.db2.gz BHRQTORTDDMIOA-UHFFFAOYSA-N 0 0 186.996 1.690 10 0 ADAERN Brc1ncc2n[nH]cc2n1 82384063 166010279 /nfs/dbraw/zinc/01/02/79/166010279.db2.gz ONGWIGLKEYQKDQ-UHFFFAOYSA-N 0 0 199.011 1.115 10 0 ADAERN Brc1cnc2oncc2c1 84229774 166010351 /nfs/dbraw/zinc/01/03/51/166010351.db2.gz XUMRIZWERXUJHJ-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN Brc1ccnc2oncc12 95931455 166010714 /nfs/dbraw/zinc/01/07/14/166010714.db2.gz QWDBHWRVEWDPET-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN CCc1n[nH]c(CC)c1[C@@H](C)O 132604754 343901348 /nfs/dbraw/zinc/90/13/48/343901348.db2.gz RWKCAQFKJQHLPB-ZCFIWIBFSA-N 0 0 168.240 1.588 10 0 ADAERN CCc1nn(C)c(CC)c1CO 132598066 343901357 /nfs/dbraw/zinc/90/13/57/343901357.db2.gz LEQFOCLQAMUULC-UHFFFAOYSA-N 0 0 168.240 1.037 10 0 ADAERN Clc1noc(-c2ccnnc2)n1 132592508 343901360 /nfs/dbraw/zinc/90/13/60/343901360.db2.gz OGPFLCANUSVFOA-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN CCc1n[nH]c(CC)c1[C@H](C)O 132604952 343901364 /nfs/dbraw/zinc/90/13/64/343901364.db2.gz RWKCAQFKJQHLPB-LURJTMIESA-N 0 0 168.240 1.588 10 0 ADAERN CCc1nnc(C)cc1[C@]1(O)C[C@H]1C 132609143 343901365 /nfs/dbraw/zinc/90/13/65/343901365.db2.gz RXAIALNMZVIIBW-HQJQHLMTSA-N 0 0 192.262 1.575 10 0 ADAERN CCc1nn(C)c(CC)c1[C@H](C)O 132604526 343901366 /nfs/dbraw/zinc/90/13/66/343901366.db2.gz HBRMVLVIBQMTEC-ZETCQYMHSA-N 0 0 182.267 1.598 10 0 ADAERN CCC[C@@H]1N[C@](C)(CC)C(=O)N1C 132623591 343901903 /nfs/dbraw/zinc/90/19/03/343901903.db2.gz ULHWRVHWPIDSDP-PSASIEDQSA-N 0 0 184.283 1.343 10 0 ADAERN CCC[C@H]1N[C@@](C)(CC)C(=O)N1C 132623365 343901908 /nfs/dbraw/zinc/90/19/08/343901908.db2.gz ULHWRVHWPIDSDP-WPRPVWTQSA-N 0 0 184.283 1.343 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1ccnnc1 132614572 343901945 /nfs/dbraw/zinc/90/19/45/343901945.db2.gz GPQCONPGOBYWDD-PSASIEDQSA-N 0 0 178.235 1.484 10 0 ADAERN CC[C@@]1(C)N[C@@H](C(C)C)N(C)C1=O 132626537 343901948 /nfs/dbraw/zinc/90/19/48/343901948.db2.gz NFFOQWAGLTZRCX-PSASIEDQSA-N 0 0 184.283 1.199 10 0 ADAERN Cc1cnc([C@@H](N)c2ccoc2)nc1 132656363 343901950 /nfs/dbraw/zinc/90/19/50/343901950.db2.gz HACPQFOLULPDAJ-VIFPVBQESA-N 0 0 189.218 1.426 10 0 ADAERN CCC(=O)N[C@H](C)C(C)(C)C 132629660 343901955 /nfs/dbraw/zinc/90/19/55/343901955.db2.gz FMQARPDZFMPDOW-SSDOTTSWSA-N 0 0 157.257 1.947 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1ccnnc1 132614790 343901959 /nfs/dbraw/zinc/90/19/59/343901959.db2.gz GPQCONPGOBYWDD-WCBMZHEXSA-N 0 0 178.235 1.484 10 0 ADAERN C[C@@H](NC(=O)C1CC1)C(C)(C)C 132630076 343901962 /nfs/dbraw/zinc/90/19/62/343901962.db2.gz TXEMAGFOSSDRMF-SSDOTTSWSA-N 0 0 169.268 1.947 10 0 ADAERN CC(C)=C[C@H](N)c1ncc(C)cn1 132641113 343901966 /nfs/dbraw/zinc/90/19/66/343901966.db2.gz TXDVHBBOOUVSLK-VIFPVBQESA-N 0 0 177.251 1.751 10 0 ADAERN CC(C)=C[C@@H](N)c1ncc(C)cn1 132640913 343901968 /nfs/dbraw/zinc/90/19/68/343901968.db2.gz TXDVHBBOOUVSLK-SECBINFHSA-N 0 0 177.251 1.751 10 0 ADAERN C[C@H](NC(=O)C1CC1)C(C)(C)C 132629868 343901970 /nfs/dbraw/zinc/90/19/70/343901970.db2.gz TXEMAGFOSSDRMF-ZETCQYMHSA-N 0 0 169.268 1.947 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cc(C)nnc1C 132613545 343901971 /nfs/dbraw/zinc/90/19/71/343901971.db2.gz NQJUYOOZDKXTAX-ONGXEEELSA-N 0 0 192.262 1.711 10 0 ADAERN CCC[C@H]1NC2(CCCC2)C(=O)N1C 132627490 343901972 /nfs/dbraw/zinc/90/19/72/343901972.db2.gz JSVUFGMNSKHRJY-VIFPVBQESA-N 0 0 196.294 1.487 10 0 ADAERN CCC(=O)N[C@@H](C)C(C)(C)C 132629469 343901974 /nfs/dbraw/zinc/90/19/74/343901974.db2.gz FMQARPDZFMPDOW-ZETCQYMHSA-N 0 0 157.257 1.947 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cc(C)nnc1C 132612903 343901978 /nfs/dbraw/zinc/90/19/78/343901978.db2.gz NQJUYOOZDKXTAX-MWLCHTKSSA-N 0 0 192.262 1.711 10 0 ADAERN CCC[C@@H]1N[C@@](C)(CC)C(=O)N1C 132623194 343901979 /nfs/dbraw/zinc/90/19/79/343901979.db2.gz ULHWRVHWPIDSDP-SCZZXKLOSA-N 0 0 184.283 1.343 10 0 ADAERN c1cc(-c2nncn2C2CC2)cnn1 132692978 343902421 /nfs/dbraw/zinc/90/24/21/343902421.db2.gz DRKPSEMWWKTVMW-UHFFFAOYSA-N 0 0 187.206 1.070 10 0 ADAERN CC[C@H]1N[C@H](CC(C)C)N(C)C1=O 132666837 343902425 /nfs/dbraw/zinc/90/24/25/343902425.db2.gz VYUPNRIYOWHGKQ-BDAKNGLRSA-N 0 0 184.283 1.199 10 0 ADAERN N[C@H](Cc1nccs1)C(F)(F)F 132681022 343902431 /nfs/dbraw/zinc/90/24/31/343902431.db2.gz NMWJXUXLYJAANI-SCSAIBSYSA-N 0 0 196.197 1.575 10 0 ADAERN C(=Cc1c[nH]cn1)c1cccnc1 72107202 166043826 /nfs/dbraw/zinc/04/38/26/166043826.db2.gz BBFSLRSCXVQCON-ONEGZZNKSA-N 0 0 171.203 1.975 10 0 ADAERN C(=C/c1ncc[nH]1)\c1ccncc1 39132664 166044275 /nfs/dbraw/zinc/04/42/75/166044275.db2.gz VMHSXUNWPPTOGN-OWOJBTEDSA-N 0 0 171.203 1.975 10 0 ADAERN C(=C/C1OCCO1)\c1cccnc1 44231901 166044573 /nfs/dbraw/zinc/04/45/73/166044573.db2.gz FHGVWVJSAFEIMH-ONEGZZNKSA-N 0 0 177.203 1.468 10 0 ADAERN CC(C)C[C@H]1N[C@@H](C(C)C)N(C)C1=O 132674414 343902442 /nfs/dbraw/zinc/90/24/42/343902442.db2.gz MCIQLRWOSNMTIE-NXEZZACHSA-N 0 0 198.310 1.445 10 0 ADAERN C(NC1CC1)c1noc(CC2CC2)n1 51861654 166045868 /nfs/dbraw/zinc/04/58/68/166045868.db2.gz YODNSAHDMRPDQN-UHFFFAOYSA-N 0 0 193.250 1.274 10 0 ADAERN C(CCC1=NCCO1)CC1=NCCO1 39209998 166046037 /nfs/dbraw/zinc/04/60/37/166046037.db2.gz GZQKJQLFIGBEIE-UHFFFAOYSA-N 0 0 196.250 1.404 10 0 ADAERN C/C(=C/Br)CO 1683065 166046064 /nfs/dbraw/zinc/04/60/64/166046064.db2.gz VFZCSFMDONRPQB-RQOWECAXSA-N 0 0 151.003 1.277 10 0 ADAERN C(NC1CC1)c1nnc(CC2CC2)o1 50616302 166046757 /nfs/dbraw/zinc/04/67/57/166046757.db2.gz SIBODBKHDRAWNX-UHFFFAOYSA-N 0 0 193.250 1.274 10 0 ADAERN C(NC1CC1)c1noc(C2CC2)n1 51861511 166046799 /nfs/dbraw/zinc/04/67/99/166046799.db2.gz GZDFMWCXGWCMIT-UHFFFAOYSA-N 0 0 179.223 1.199 10 0 ADAERN CC[C@H](C)[C@@H]1N[C@H](CC)N(C)C1=O 132690770 343902448 /nfs/dbraw/zinc/90/24/48/343902448.db2.gz XGHVIYXJHBLCEJ-CIUDSAMLSA-N 0 0 184.283 1.199 10 0 ADAERN C(NC1CC1)c1nnc(C2CC2)o1 50616112 166047637 /nfs/dbraw/zinc/04/76/37/166047637.db2.gz RNUWQQOTXWHFKK-UHFFFAOYSA-N 0 0 179.223 1.199 10 0 ADAERN C/C(=C/CO)C1O[C@H](C)C[C@@H](C)O1 256001680 166048199 /nfs/dbraw/zinc/04/81/99/166048199.db2.gz SLHGRJUJOGVLOI-QNVIJMGISA-N 0 0 186.251 1.465 10 0 ADAERN C/C(=C/c1nc(N(C)C)no1)C1CC1 336023618 166048323 /nfs/dbraw/zinc/04/83/23/166048323.db2.gz SOLWOIRNPPTERY-SREVYHEPSA-N 0 0 193.250 1.949 10 0 ADAERN C/C(=C/CO)c1ccccc1O 39378613 166048393 /nfs/dbraw/zinc/04/83/93/166048393.db2.gz IOYRDXQVCWTOLD-VURMDHGXSA-N 0 0 164.204 1.788 10 0 ADAERN C/C(=C/C(F)(F)F)[N+](=O)[O-] 83292060 166048443 /nfs/dbraw/zinc/04/84/43/166048443.db2.gz LCWQUYWZQHRBAS-IHWYPQMZSA-N 0 0 155.075 1.729 10 0 ADAERN C/C(=C\CC/C(C)=C/CO)CO 28630704 166048779 /nfs/dbraw/zinc/04/87/79/166048779.db2.gz PREUOUJFXMCMSJ-TXFIJWAUSA-N 0 0 170.252 1.644 10 0 in-vitro ADAERN C/C(=C\C1CC1)[N+](=O)[O-] 51690989 166048839 /nfs/dbraw/zinc/04/88/39/166048839.db2.gz SMGSDVRHDWBWMQ-SNAWJCMRSA-N 0 0 127.143 1.577 10 0 ADAERN C/C(=C\C1CCOCC1)[N+](=O)[O-] 52176220 166048869 /nfs/dbraw/zinc/04/88/69/166048869.db2.gz QOHBIPFNFTXFAW-VOTSOKGWSA-N 0 0 171.196 1.594 10 0 ADAERN C/C(=C/c1cc(C)no1)CO 45813921 166048906 /nfs/dbraw/zinc/04/89/06/166048906.db2.gz APZKCAYXNYNRLN-UTCJRWHESA-N 0 0 153.181 1.379 10 0 ADAERN C/C(=C/c1ccc(C)o1)CO 91364331 166048919 /nfs/dbraw/zinc/04/89/19/166048919.db2.gz LICNHUORMCIBRN-ALCCZGGFSA-N 0 0 152.193 1.984 10 0 ADAERN C/C(=C\C(=O)[O-])[NH+]1CCCC1 100874633 166048948 /nfs/dbraw/zinc/04/89/48/166048948.db2.gz TXVZSHQKLYDYAS-VOTSOKGWSA-N 0 0 155.197 1.071 10 0 ADAERN C/C(=C\C(C)C)[N+](=O)[O-] 21304262 166048957 /nfs/dbraw/zinc/04/89/57/166048957.db2.gz NLKYVWUHYMUHLY-GQCTYLIASA-N 0 0 129.159 1.823 10 0 ADAERN C/C(=C/C(C)C)[N+](=O)[O-] 51690644 166049129 /nfs/dbraw/zinc/04/91/29/166049129.db2.gz NLKYVWUHYMUHLY-XQRVVYSFSA-N 0 0 129.159 1.823 10 0 ADAERN C/C(=C/c1ccccc1)C(N)=O 6301081 166049197 /nfs/dbraw/zinc/04/91/97/166049197.db2.gz MPUZDPBYKVEHNH-FPLPWBNLSA-N 0 0 161.204 1.575 10 0 ADAERN C/C(=C/c1ccccc1O)CO 39378609 166049281 /nfs/dbraw/zinc/04/92/81/166049281.db2.gz DZPDOAFKQJUEGY-VURMDHGXSA-N 0 0 164.204 1.788 10 0 ADAERN C/C(=C\C(=O)[O-])[NH+]1CCCCC1 100874636 166049339 /nfs/dbraw/zinc/04/93/39/166049339.db2.gz LMUXQOABJQAJTK-BQYQJAHWSA-N 0 0 169.224 1.461 10 0 ADAERN C/C(=C/CO)c1cccnc1 39051052 166049439 /nfs/dbraw/zinc/04/94/39/166049439.db2.gz GWZVCBAVEVIIAK-YWEYNIOJSA-N 0 0 149.193 1.477 10 0 ADAERN C/C(=C/C(C)C)CO 34621546 166049618 /nfs/dbraw/zinc/04/96/18/166049618.db2.gz FRNHNENZDWMNBU-DAXSKMNVSA-N 0 0 114.188 1.581 10 0 ADAERN C/C(=C\C(C)C)C(N)=O 15120881 166049694 /nfs/dbraw/zinc/04/96/94/166049694.db2.gz FCZRAAJZTGOYIC-GQCTYLIASA-N 0 0 127.187 1.074 10 0 ADAERN C/C(=C/CO)CC/C=C(\C)CO 34582856 166049801 /nfs/dbraw/zinc/04/98/01/166049801.db2.gz PREUOUJFXMCMSJ-SCWCTGRGSA-N 0 0 170.252 1.644 10 0 in-vitro ADAERN Cc1cc(-c2cc(N)no2)c(C)nn1 132689072 343902455 /nfs/dbraw/zinc/90/24/55/343902455.db2.gz APGOHBWGQDBXPM-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN C/C(=C/c1cc(C)on1)[N+](=O)[O-] 66347184 166050095 /nfs/dbraw/zinc/05/00/95/166050095.db2.gz HNCDARSZKLFZLN-HYXAFXHYSA-N 0 0 168.152 1.621 10 0 ADAERN CC(C)C[C@@H]1N[C@H](C(C)C)N(C)C1=O 132675057 343902458 /nfs/dbraw/zinc/90/24/58/343902458.db2.gz MCIQLRWOSNMTIE-UWVGGRQHSA-N 0 0 198.310 1.445 10 0 ADAERN C/C(=C\Cc1ccccc1O)CO 62718915 166050680 /nfs/dbraw/zinc/05/06/80/166050680.db2.gz HADRXJSIEQHGEB-RMKNXTFCSA-N 0 0 178.231 1.873 10 0 ADAERN C/C(=C\CO)CC[C@@H]1OC1(C)C 34540415 166050747 /nfs/dbraw/zinc/05/07/47/166050747.db2.gz 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C/C(=C\Cc1ccco1)CO 104834049 166052150 /nfs/dbraw/zinc/05/21/50/166052150.db2.gz HHVVQYVOEKWAGQ-XBXARRHUSA-N 0 0 152.193 1.761 10 0 ADAERN C/C(=C\c1ccncc1)[N+](=O)[O-] 42905471 166052152 /nfs/dbraw/zinc/05/21/52/166052152.db2.gz PDKKPAXBOJVNJC-VOTSOKGWSA-N 0 0 164.164 1.719 10 0 ADAERN C/C(=C\[C@H]1CCOC1)[N+](=O)[O-] 51691500 166052154 /nfs/dbraw/zinc/05/21/54/166052154.db2.gz PABTZEILOWUCBL-PTYLAXBQSA-N 0 0 157.169 1.203 10 0 ADAERN C/C(=C\c1ccccn1)[N+](=O)[O-] 34581660 166052169 /nfs/dbraw/zinc/05/21/69/166052169.db2.gz QBKPEGPUFCQLDL-VOTSOKGWSA-N 0 0 164.164 1.719 10 0 ADAERN CC(=Cc1nc[nH]c1C)C(=O)[O-] 44221339 166052174 /nfs/dbraw/zinc/05/21/74/166052174.db2.gz SQPIDAWLKGEXHA-HWKANZROSA-N 0 0 166.180 1.206 10 0 ADAERN C/C(=C\c1cc(O)cc(O)c1)[N+](=O)[O-] 83253514 166052252 /nfs/dbraw/zinc/05/22/52/166052252.db2.gz HNKOKMATHPDZKA-QHHAFSJGSA-N 0 0 195.174 1.735 10 0 ADAERN CC[C@H](C)[C@H]1N[C@@H](CC)N(C)C1=O 132690097 343902474 /nfs/dbraw/zinc/90/24/74/343902474.db2.gz 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100216359 166060092 /nfs/dbraw/zinc/06/00/92/166060092.db2.gz NXWQWCMUNWCDGL-GQCTYLIASA-N 0 0 112.172 1.932 10 0 ADAERN C/C=C(\C)C(=O)NC(=O)C(C)(C)C 39126146 166060122 /nfs/dbraw/zinc/06/01/22/166060122.db2.gz VAOOCAUEBIWFCD-VOTSOKGWSA-N 0 0 183.251 1.642 10 0 ADAERN C/C=C(\C)n1ccnc1 39073592 166060189 /nfs/dbraw/zinc/06/01/89/166060189.db2.gz USCLZROWXAGSQY-XVNBXDOJSA-N 0 0 122.171 1.764 10 0 ADAERN C/C=C(/CO)NC(=O)OC(C)(C)C 39091099 166060285 /nfs/dbraw/zinc/06/02/85/166060285.db2.gz DKCPQPHDNHSBIA-ALCCZGGFSA-N 0 0 187.239 1.407 10 0 ADAERN C/C=C(\C)OC 38611034 166060298 /nfs/dbraw/zinc/06/02/98/166060298.db2.gz JWBPCSXRWORRAI-SNAWJCMRSA-N 0 0 86.134 1.557 10 0 ADAERN C/C=C/C=C\[C@@H](O)[C@H]1CCC(=O)O1 38212643 166060666 /nfs/dbraw/zinc/06/06/66/166060666.db2.gz TUUOKFDGTUYGAJ-OXSVTVAYSA-N 0 0 182.219 1.185 10 0 ADAERN C/C=C/C=C/NC(=O)OCC 256684231 166060749 /nfs/dbraw/zinc/06/07/49/166060749.db2.gz IHDKVLCSSSTMLG-TWTPFVCWSA-N 0 0 155.197 1.822 10 0 ADAERN C/C=C/C=C/c1nnc([C@H](C)N)o1 83340404 166060754 /nfs/dbraw/zinc/06/07/54/166060754.db2.gz VSOZAVWSOPBMJR-REZSOARASA-N 0 0 179.223 1.679 10 0 ADAERN C/C=C/C=C/c1nc(N(C)C)no1 306751512 166060892 /nfs/dbraw/zinc/06/08/92/166060892.db2.gz HWJBBLOKMQECPF-YTXTXJHMSA-N 0 0 179.223 1.725 10 0 ADAERN C/C=C/C1=NC(C)(C)C(=O)O1 72194620 166060904 /nfs/dbraw/zinc/06/09/04/166060904.db2.gz FBXDMYKUMYUYHT-SNAWJCMRSA-N 0 0 153.181 1.296 10 0 ADAERN C/C=C/C1OCCCO1 34518811 166060952 /nfs/dbraw/zinc/06/09/52/166060952.db2.gz IZHVWOMGCHCRHJ-DUXPYHPUSA-N 0 0 128.171 1.326 10 0 ADAERN C/C=C/C=C\[C@H](O)[C@H]1CCC(=O)O1 40380613 166061060 /nfs/dbraw/zinc/06/10/60/166061060.db2.gz TUUOKFDGTUYGAJ-JEJROOAUSA-N 0 0 182.219 1.185 10 0 ADAERN C/C=C/C=C/c1nnc(CN)o1 83339795 166061154 /nfs/dbraw/zinc/06/11/54/166061154.db2.gz JFGXCJNXALDFRE-MQQKCMAXSA-N 0 0 165.196 1.118 10 0 ADAERN C/C=C/C=C/C(=O)NCc1cn[nH]c1 38006744 166061177 /nfs/dbraw/zinc/06/11/77/166061177.db2.gz KGBYPFQEAAKTMK-MQQKCMAXSA-N 0 0 191.234 1.158 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166067121 /nfs/dbraw/zinc/06/71/21/166067121.db2.gz VDSIZOZGPPYNQJ-NSCUHMNNSA-N 0 0 165.196 1.051 10 0 ADAERN C/C=C1/c2cccn2CCN1C(C)=O 90373228 166067128 /nfs/dbraw/zinc/06/71/28/166067128.db2.gz ZTMAWTSSTJASMA-KMKOMSMNSA-N 0 0 190.246 1.711 10 0 ADAERN C/C=C/c1ncccn1 39052860 166067144 /nfs/dbraw/zinc/06/71/44/166067144.db2.gz KFDDDMRZHCHUEQ-DUXPYHPUSA-N 0 0 120.155 1.510 10 0 ADAERN C/C=C/c1nnc([C@H]2CCCCN2)o1 83341955 166067179 /nfs/dbraw/zinc/06/71/79/166067179.db2.gz JRYXSIJQFUQBEQ-IBDUZEINSA-N 0 0 193.250 1.917 10 0 ADAERN C/C=C1/C[C@@H](C)OC1=O 114961948 166067186 /nfs/dbraw/zinc/06/71/86/166067186.db2.gz DALGWLJAONUZJZ-NSHLVMESSA-N 0 0 126.155 1.268 10 0 ADAERN C/C=C1/C=CC(=O)O1 38609727 166067189 /nfs/dbraw/zinc/06/71/89/166067189.db2.gz UBTPQJCPHOHKMF-DJWKRKHSSA-N 0 0 110.112 1.003 10 0 ADAERN C/C=C/c1nnc([C@@H](N)C(C)C)o1 83340607 166067193 /nfs/dbraw/zinc/06/71/93/166067193.db2.gz TXYJOCQEZZHIAF-ZJELKQJVSA-N 0 0 181.239 1.759 10 0 ADAERN C/C=C1\C(=O)N(C)c2ncccc21 89221991 166067197 /nfs/dbraw/zinc/06/71/97/166067197.db2.gz IXPJLHOEJJOFPU-CLTKARDFSA-N 0 0 174.203 1.461 10 0 ADAERN C/C=C1/C=C(C(=O)OC)[C@@H]1C 39087683 166067212 /nfs/dbraw/zinc/06/72/12/166067212.db2.gz DNCGSBXRFQEOBQ-CDXJMXTPSA-N 0 0 152.193 1.682 10 0 ADAERN C/C=C1\CCC[C@@H]1C(=O)OC 34115315 166067218 /nfs/dbraw/zinc/06/72/18/166067218.db2.gz HAHAABRAUCMJPY-DKCNVOGISA-N 0 0 154.209 1.906 10 0 ADAERN C/C=C1\[C@@H](C(=O)OC)[C@H]1CC 39087834 166067226 /nfs/dbraw/zinc/06/72/26/166067226.db2.gz YOBMPYJZQFGTQA-VFYBFDEHSA-N 0 0 154.209 1.762 10 0 ADAERN C/C=C/c1ccc(O)cn1 72231366 166067231 /nfs/dbraw/zinc/06/72/31/166067231.db2.gz JAPHBMPYNZNIRP-NSCUHMNNSA-N 0 0 135.166 1.820 10 0 ADAERN C/C=C/c1cccc(O)c1CO 3816652 166067244 /nfs/dbraw/zinc/06/72/44/166067244.db2.gz XHLFAURCAXYYLH-DUXPYHPUSA-N 0 0 164.204 1.918 10 0 ADAERN C/C=C1/[C@H](CC)[C@H]1C(=O)OC 39087836 166067248 /nfs/dbraw/zinc/06/72/48/166067248.db2.gz YOBMPYJZQFGTQA-RGGFDPLPSA-N 0 0 154.209 1.762 10 0 ADAERN C/C=C1/C=C[C@@H]2[NH2+]CC[C@H]3O[C@@]123 256918024 166067253 /nfs/dbraw/zinc/06/72/53/166067253.db2.gz XFDNFSFFQFVZGJ-JPFWVCCHSA-N 0 0 163.220 1.002 10 0 ADAERN C/C=C1\C=CC(=O)O1 2038503 166067276 /nfs/dbraw/zinc/06/72/76/166067276.db2.gz UBTPQJCPHOHKMF-GORDUTHDSA-N 0 0 110.112 1.003 10 0 ADAERN C/C=C/c1ccc(C(N)=O)cc1 34410449 166067280 /nfs/dbraw/zinc/06/72/80/166067280.db2.gz GGXSKQACSQSJIZ-NSCUHMNNSA-N 0 0 161.204 1.819 10 0 ADAERN C/C=C/c1ccccc1C(N)=O 34214026 166067284 /nfs/dbraw/zinc/06/72/84/166067284.db2.gz UQJDZSBIYJIGNF-GORDUTHDSA-N 0 0 161.204 1.819 10 0 ADAERN C/C=C1\CCC[C@H]1C(=O)OC 34115316 166067291 /nfs/dbraw/zinc/06/72/91/166067291.db2.gz HAHAABRAUCMJPY-HOOMWESVSA-N 0 0 154.209 1.906 10 0 ADAERN C/C=C1/CCCN=C1C(C)=O 39069556 166067322 /nfs/dbraw/zinc/06/73/22/166067322.db2.gz GAEQLABCUJPAHA-BAQGIRSFSA-N 0 0 151.209 1.757 10 0 endogenous,in-man ADAERN C/C=C1/C[C@H](C)OC1=O 114961951 166067342 /nfs/dbraw/zinc/06/73/42/166067342.db2.gz DALGWLJAONUZJZ-LPHWOVDOSA-N 0 0 126.155 1.268 10 0 ADAERN C/C=C1/C[C@@H]1C(=O)OCC 100237110 166067344 /nfs/dbraw/zinc/06/73/44/166067344.db2.gz WHOSDGDTLNCORQ-NFNQMPKISA-N 0 0 140.182 1.516 10 0 ADAERN C/C=C1/C(=O)N(C)c2ncccc21 38973363 166067355 /nfs/dbraw/zinc/06/73/55/166067355.db2.gz IXPJLHOEJJOFPU-XVNBXDOJSA-N 0 0 174.203 1.461 10 0 ADAERN C/C=C1\C=CC2=NCC[C@@H]3O[C@@]213 5412771 166067375 /nfs/dbraw/zinc/06/73/75/166067375.db2.gz KQSFHAWSULOGRI-ITIPBEISSA-N 0 0 161.204 1.485 10 0 ADAERN C/C=C1/C[C@H]1C(=O)OCC 100237102 166067387 /nfs/dbraw/zinc/06/73/87/166067387.db2.gz WHOSDGDTLNCORQ-FXHNIGACSA-N 0 0 140.182 1.516 10 0 ADAERN CC=Cc1ncnc2[nH]ccc12 89223825 166067474 /nfs/dbraw/zinc/06/74/74/166067474.db2.gz MHLCIMUUZBORMF-NSCUHMNNSA-N 0 0 159.192 1.991 10 0 ADAERN C/C=C/c1cc(O)cc(=O)o1 40829498 166067519 /nfs/dbraw/zinc/06/75/19/166067519.db2.gz LAZYRSUGAIOZQO-NSCUHMNNSA-N 0 0 152.149 1.379 10 0 ADAERN C/C=C1\CCCN=C1C(C)=O 33951469 166067564 /nfs/dbraw/zinc/06/75/64/166067564.db2.gz GAEQLABCUJPAHA-FPYGCLRLSA-N 0 0 151.209 1.757 10 0 ADAERN C/C=C/c1nnc([C@@H](N)CC)o1 83339861 166067568 /nfs/dbraw/zinc/06/75/68/166067568.db2.gz RKHLTEMALLGSBC-QVQDZQDPSA-N 0 0 167.212 1.513 10 0 ADAERN C/C=C1/[C@@H](CC)[C@@H]1C(=O)OC 39087835 166067576 /nfs/dbraw/zinc/06/75/76/166067576.db2.gz YOBMPYJZQFGTQA-QYPICMNDSA-N 0 0 154.209 1.762 10 0 ADAERN C/C=C1/CCCS1(=O)=O 39058996 166067591 /nfs/dbraw/zinc/06/75/91/166067591.db2.gz NDTYKPBZYATWBC-KXFIGUGUSA-N 0 0 146.211 1.099 10 0 ADAERN CC=Cc1nn(C(C)C)c(=O)[nH]1 39104228 166067688 /nfs/dbraw/zinc/06/76/88/166067688.db2.gz FYANOSCEWNETIN-SNAWJCMRSA-N 0 0 167.212 1.185 10 0 ADAERN C/C=C1/CCC[C@H]1C(=O)OC 39087865 166067699 /nfs/dbraw/zinc/06/76/99/166067699.db2.gz HAHAABRAUCMJPY-LSFDQVSLSA-N 0 0 154.209 1.906 10 0 ADAERN C/C=C\C(=O)OCCCC 13380321 166068182 /nfs/dbraw/zinc/06/81/82/166068182.db2.gz GWCTUKHUBWMAMI-XQRVVYSFSA-N 0 0 142.198 1.906 10 0 ADAERN C/C=C\C(F)(F)CO 95938407 166068207 /nfs/dbraw/zinc/06/82/07/166068207.db2.gz CMQUVKHYMDGFSF-IHWYPQMZSA-N 0 0 122.114 1.190 10 0 ADAERN C/C=C\C(C)(C)O 31362708 166068230 /nfs/dbraw/zinc/06/82/30/166068230.db2.gz OWVUFBAJXKEVBE-PLNGDYQASA-N 0 0 100.161 1.333 10 0 ADAERN C/C=C\C(=O)n1nnc2ccccc21 83333142 166068231 /nfs/dbraw/zinc/06/82/31/166068231.db2.gz QYJRVRUTXXZMAD-DJWKRKHSSA-N 0 0 187.202 1.648 10 0 ADAERN C/C=C\C(=O)OCC(F)(F)F 33376865 166068255 /nfs/dbraw/zinc/06/82/55/166068255.db2.gz ONXSXFVUGJKVRW-IHWYPQMZSA-N 0 0 168.114 1.668 10 0 ADAERN C/C=C\C1=NC(C)(C)C(=O)O1 39057654 166068502 /nfs/dbraw/zinc/06/85/02/166068502.db2.gz FBXDMYKUMYUYHT-PLNGDYQASA-N 0 0 153.181 1.296 10 0 ADAERN C/C=C\C(=S)N1CCCC1 39124534 166068555 /nfs/dbraw/zinc/06/85/55/166068555.db2.gz CYVOVVJOHDPIAD-DJWKRKHSSA-N 0 0 155.266 1.986 10 0 ADAERN C/C=C\C=C\COC(C)=O 5282693 166068584 /nfs/dbraw/zinc/06/85/84/166068584.db2.gz PXVKYPFROMBALG-DNVGVPOPSA-N 0 0 140.182 1.682 10 0 ADAERN C/C=C\[C@H](O)c1cccnc1 39051639 166069219 /nfs/dbraw/zinc/06/92/19/166069219.db2.gz HSDNMCZEEUGYMT-MDHMXLOGSA-N 0 0 149.193 1.691 10 0 ADAERN C/C=C\c1cccc[n+]1[O-] 72231332 166069220 /nfs/dbraw/zinc/06/92/20/166069220.db2.gz UZDYGLAVCJMEPM-DJWKRKHSSA-N 0 0 135.166 1.353 10 0 ADAERN C/C=C\[C@H](O)n1cccc1 39078287 166069278 /nfs/dbraw/zinc/06/92/78/166069278.db2.gz KNOZIXLQRLQLIX-YAPUSRSVSA-N 0 0 137.182 1.555 10 0 ADAERN C/C=C\c1ccc(O)cn1 39051853 166069475 /nfs/dbraw/zinc/06/94/75/166069475.db2.gz JAPHBMPYNZNIRP-IHWYPQMZSA-N 0 0 135.166 1.820 10 0 ADAERN CCc1ccccc1C(C)=O 100220010 166069935 /nfs/dbraw/zinc/06/99/35/166069935.db2.gz RCHPYQLFPCSHLJ-HMCCMZENSA-N 0 0 148.205 1.173 10 0 ADAERN C/C=C\c1ccc(C(N)=O)cc1 39065561 166069944 /nfs/dbraw/zinc/06/99/44/166069944.db2.gz GGXSKQACSQSJIZ-IHWYPQMZSA-N 0 0 161.204 1.819 10 0 ADAERN CC=Cc1ncnc2[nH]ccc12 35975609 166069960 /nfs/dbraw/zinc/06/99/60/166069960.db2.gz MHLCIMUUZBORMF-IHWYPQMZSA-N 0 0 159.192 1.991 10 0 ADAERN CC=Cc1nc(C)cc(=O)[nH]1 39053200 166070303 /nfs/dbraw/zinc/07/03/03/166070303.db2.gz GLMMJXOOQMGSFW-ARJAWSKDSA-N 0 0 150.181 1.111 10 0 ADAERN CCc1ccccc1C(C)=O 100129659 166070645 /nfs/dbraw/zinc/07/06/45/166070645.db2.gz RCHPYQLFPCSHLJ-KHNQSTJWSA-N 0 0 148.205 1.173 10 0 ADAERN C/N=c1/scc(C(C)C)n1C 100304892 166070968 /nfs/dbraw/zinc/07/09/68/166070968.db2.gz FZQLOOQDAVJSOH-CMDGGOBGSA-N 0 0 170.281 1.741 10 0 ADAERN C1=Cn2[nH]c3cccc-3c2OC1 95931712 166081978 /nfs/dbraw/zinc/08/19/78/166081978.db2.gz NNPNFLMMBBEAPO-UHFFFAOYSA-N 0 0 160.176 1.784 10 0 ADAERN C/N=c1/scc(C)n1C(C)=O 100304885 166071524 /nfs/dbraw/zinc/07/15/24/166071524.db2.gz MAGVTSABQHZOAF-BQYQJAHWSA-N 0 0 170.237 1.049 10 0 ADAERN C1=C(Cn2ccnn2)CCCC1 335238842 166071556 /nfs/dbraw/zinc/07/15/56/166071556.db2.gz PPZKDLACOKLNPI-UHFFFAOYSA-N 0 0 163.224 1.779 10 0 ADAERN C/N=c1/ssc(=S)n1C 1409724 166071691 /nfs/dbraw/zinc/07/16/91/166071691.db2.gz NTBGCUDCUVQJHI-HWKANZROSA-N 0 0 178.307 1.408 10 0 ADAERN C1=C(N2CC2)CCCC1 100042338 166072064 /nfs/dbraw/zinc/07/20/64/166072064.db2.gz POQIZNBRPKTRDZ-UHFFFAOYSA-N 0 0 123.199 1.760 10 0 ADAERN C1=C(CCCC2OCCO2)C1 225754466 166072308 /nfs/dbraw/zinc/07/23/08/166072308.db2.gz GMWYKXCFYOULDZ-UHFFFAOYSA-N 0 0 154.209 1.860 10 0 ADAERN CCC(=O)c1ccncc1C 132786974 343904405 /nfs/dbraw/zinc/90/44/05/343904405.db2.gz ZVXJBHGHGQABMF-UHFFFAOYSA-N 0 0 149.193 1.983 10 0 ADAERN C1=C(N2CCOCC2)CCSC1 137604579 166072405 /nfs/dbraw/zinc/07/24/05/166072405.db2.gz WINCLTDZBUTMHU-UHFFFAOYSA-N 0 0 185.292 1.339 10 0 ADAERN C1=C(CNc2ccccn2)CCOC1 307456513 166072996 /nfs/dbraw/zinc/07/29/96/166072996.db2.gz DRGDRVPRAJKEKK-UHFFFAOYSA-N 0 0 190.246 1.840 10 0 ADAERN c1ccc2n[nH]cc2c1 95707790 166073295 /nfs/dbraw/zinc/07/32/95/166073295.db2.gz JODZMFDILKWFEI-LURJTMIESA-N 0 0 118.139 1.169 10 0 ADAERN C1=C2OCOC=C2c2scnc2C1 95932753 166073320 /nfs/dbraw/zinc/07/33/20/166073320.db2.gz CZHMCMMKIMGBQB-UHFFFAOYSA-N 0 0 193.227 1.928 10 0 ADAERN OC[C@H](O)c1ccc(C(F)F)cc1 132806332 343904735 /nfs/dbraw/zinc/90/47/35/343904735.db2.gz OJJARULCUWXMPN-QMMMGPOBSA-N 0 0 188.173 1.650 10 0 ADAERN C1=CC=C=CC=1 71606389 166073390 /nfs/dbraw/zinc/07/33/90/166073390.db2.gz AIESRBVWAFETPR-UHFFFAOYSA-N 0 0 76.098 1.423 10 0 ADAERN c1ccc2n[nH]cc2c1 95707788 166073405 /nfs/dbraw/zinc/07/34/05/166073405.db2.gz JODZMFDILKWFEI-ZCFIWIBFSA-N 0 0 118.139 1.169 10 0 ADAERN C1=C2Cc3ccc(c2n3)OC1 100135026 166073422 /nfs/dbraw/zinc/07/34/22/166073422.db2.gz NLEVYPOCNXKZAB-UHFFFAOYSA-N 0 0 145.161 1.414 10 0 ADAERN C1=C2CC(=NO2)c2occc2O1 39113125 166073437 /nfs/dbraw/zinc/07/34/37/166073437.db2.gz NFEOZKNXDFGFBM-UHFFFAOYSA-N 0 0 163.132 1.638 10 0 ADAERN C1=CCC2(CC1)COC2 66309317 166073502 /nfs/dbraw/zinc/07/35/02/166073502.db2.gz YFWVGNUKWYHJNQ-UHFFFAOYSA-N 0 0 124.183 1.743 10 0 ADAERN C1=C(n2nnc3ccccc32)OCC1 5520233 166073512 /nfs/dbraw/zinc/07/35/12/166073512.db2.gz LNXKAUXNXBJONL-UHFFFAOYSA-N 0 0 187.202 1.650 10 0 ADAERN C1=C2C=C(C2)C2=COCN12 100228426 166073581 /nfs/dbraw/zinc/07/35/81/166073581.db2.gz WAYZMSILAUALHE-UHFFFAOYSA-N 0 0 133.150 1.345 10 0 ADAERN C1=C2CC(=CO2)C2=C1OCO2 95932619 166073653 /nfs/dbraw/zinc/07/36/53/166073653.db2.gz OIWYZDSXPXQHDN-UHFFFAOYSA-N 0 0 150.133 1.404 10 0 ADAERN C1=CC2=NC=NC2=CC1 95922290 166073667 /nfs/dbraw/zinc/07/36/67/166073667.db2.gz WFQQOWDFMDPMQL-UHFFFAOYSA-N 0 0 118.139 1.313 10 0 ADAERN C1=CC2(CC2)c2cncn2C1 39079584 166073693 /nfs/dbraw/zinc/07/36/93/166073693.db2.gz ZGBZADHBAGAGKG-UHFFFAOYSA-N 0 0 146.193 1.485 10 0 ADAERN C1=CCC(N2CCOCC2)=C1 39136707 166073760 /nfs/dbraw/zinc/07/37/60/166073760.db2.gz OWCMXCMOHBVAFF-UHFFFAOYSA-N 0 0 151.209 1.162 10 0 ADAERN C1=CC(NC2CC2)=CCO1 100450335 166073819 /nfs/dbraw/zinc/07/38/19/166073819.db2.gz JHFTWXQMIAIXPN-UHFFFAOYSA-N 0 0 137.182 1.166 10 0 ADAERN C1=CC=C2N=CN=C[C@@H]2C=C1 95922171 166073907 /nfs/dbraw/zinc/07/39/07/166073907.db2.gz ZFRDZQVSUBDZKY-QMMMGPOBSA-N 0 0 144.177 1.725 10 0 ADAERN C1=CC=C2CN=CN=C2C=C1 39053353 166073954 /nfs/dbraw/zinc/07/39/54/166073954.db2.gz YMYMWROAHLBXID-UHFFFAOYSA-N 0 0 144.177 1.522 10 0 ADAERN C1=C2CC(=NO2)c2occc2C1 45814191 166073985 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C1=NCSc2nc3ccccc3n21 95931723 166080947 /nfs/dbraw/zinc/08/09/47/166080947.db2.gz JBRXSKURPKTFTA-UHFFFAOYSA-N 0 0 189.243 1.976 10 0 ADAERN C1=Cn2cncc2N=NN1 39078185 166080955 /nfs/dbraw/zinc/08/09/55/166080955.db2.gz FVBRNCNYFLOOIC-UHFFFAOYSA-N 0 0 135.130 1.104 10 0 ADAERN C1=NC=C2C[C@H]1C1=C2OCO1 95922270 166080975 /nfs/dbraw/zinc/08/09/75/166080975.db2.gz LBTHATMLRJDCGV-RXMQYKEDSA-N 0 0 149.149 1.191 10 0 ADAERN C1=NCc2ccc3ncoc3c21 39129195 166080982 /nfs/dbraw/zinc/08/09/82/166080982.db2.gz JJMJWUFQOHTCIY-UHFFFAOYSA-N 0 0 158.160 1.760 10 0 ADAERN C1=NC[C@@H]2CCCC[C@@H]2O1 5282892 166080985 /nfs/dbraw/zinc/08/09/85/166080985.db2.gz KYMOFAKMZASPBK-YUMQZZPRSA-N 0 0 139.198 1.604 10 0 ADAERN C1=Cn2cccc2CN=N1 39078036 166080989 /nfs/dbraw/zinc/08/09/89/166080989.db2.gz IAMXDWBNPJSHAQ-UHFFFAOYSA-N 0 0 133.154 1.882 10 0 ADAERN C1=NCOCn2c1nc1ccccc12 95923142 166081015 /nfs/dbraw/zinc/08/10/15/166081015.db2.gz GABXUTXRDLHFCP-UHFFFAOYSA-N 0 0 187.202 1.400 10 0 ADAERN C1=NCn2c1nc1ccccc12 95923136 166081027 /nfs/dbraw/zinc/08/10/27/166081027.db2.gz QYRVKWZJVFIOCP-UHFFFAOYSA-N 0 0 157.176 1.426 10 0 ADAERN C1=Cn2c1cc1c2C=NC1 39077836 166081029 /nfs/dbraw/zinc/08/10/29/166081029.db2.gz NGWNDEMAXIPJCC-UHFFFAOYSA-N 0 0 130.150 1.362 10 0 ADAERN C1=N[C@@H](c2ccccc2)CO1 39191743 166081054 /nfs/dbraw/zinc/08/10/54/166081054.db2.gz DBTPMQIQJZFVAB-SECBINFHSA-N 0 0 147.177 1.786 10 0 ADAERN C1=NCSc2cccnc21 39051773 166081057 /nfs/dbraw/zinc/08/10/57/166081057.db2.gz FIGLPIFIEVRDRU-UHFFFAOYSA-N 0 0 150.206 1.564 10 0 ADAERN c1ccc2c(c1)CCN=N2 24191480 166081075 /nfs/dbraw/zinc/08/10/75/166081075.db2.gz SLINOLVLQJDNOR-UHFFFAOYSA-N 0 0 132.166 1.640 10 0 ADAERN C1=Cc2ncn3ccnc(c23)C1 95923188 166081078 /nfs/dbraw/zinc/08/10/78/166081078.db2.gz XJJFKOQNJPJYTR-UHFFFAOYSA-N 0 0 157.176 1.299 10 0 ADAERN C1=NNc2ccccc2N1 24190785 166081100 /nfs/dbraw/zinc/08/11/00/166081100.db2.gz YMQUONRERWKEIV-UHFFFAOYSA-N 0 0 133.154 1.467 10 0 ADAERN C1=Cc2nn3ccccc3c2C1 95931197 166081103 /nfs/dbraw/zinc/08/11/03/166081103.db2.gz CYWJCQDOXQUCDA-UHFFFAOYSA-N 0 0 156.188 1.904 10 0 ADAERN C1=Nc2c[nH]c3ncnc1c23 45787327 166081106 /nfs/dbraw/zinc/08/11/06/166081106.db2.gz JSVWIXXVLGVFGD-UHFFFAOYSA-N 0 0 144.137 1.022 10 0 ADAERN C1=NCn2c1cnc1cccc2-1 95931188 166081109 /nfs/dbraw/zinc/08/11/09/166081109.db2.gz UCVAZMBAYOXQTC-UHFFFAOYSA-N 0 0 157.176 1.378 10 0 ADAERN C1=NCCN1[C@@H]1Cc2ccccc2O1 95934510 166081111 /nfs/dbraw/zinc/08/11/11/166081111.db2.gz MBNALWAUADHEEL-NSHDSACASA-N 0 0 188.230 1.292 10 0 ADAERN C1=Cc2oncc2COCO1 21374919 166081116 /nfs/dbraw/zinc/08/11/16/166081116.db2.gz VIUOPJDSWHGGCE-UHFFFAOYSA-N 0 0 153.137 1.150 10 0 ADAERN C1=Cc2ncncc2SC1 95935981 166081130 /nfs/dbraw/zinc/08/11/30/166081130.db2.gz PHQVXPYZZSPBHC-UHFFFAOYSA-N 0 0 150.206 1.596 10 0 ADAERN C1=NCN1Cc1ccccc1 39079544 166081209 /nfs/dbraw/zinc/08/12/09/166081209.db2.gz KZNDZBVMHVBWKE-UHFFFAOYSA-N 0 0 146.193 1.488 10 0 ADAERN C1=NCOc2nc3ccccc3n21 95931721 166081258 /nfs/dbraw/zinc/08/12/58/166081258.db2.gz HSZSTPWSMSLOKY-UHFFFAOYSA-N 0 0 173.175 1.263 10 0 ADAERN C1=NCc2cc3nccnc3cc21 39134385 166081265 /nfs/dbraw/zinc/08/12/65/166081265.db2.gz JTWFKGRPOSEQPB-UHFFFAOYSA-N 0 0 169.187 1.562 10 0 ADAERN C1=Cn2c(nc3ccccc32)CO1 59590221 166081281 /nfs/dbraw/zinc/08/12/81/166081281.db2.gz JHPDHUAEQAFGCY-UHFFFAOYSA-N 0 0 172.187 1.995 10 0 ADAERN C1=N[C@@H]2CCCCCN2CC1 39080396 166081298 /nfs/dbraw/zinc/08/12/98/166081298.db2.gz CGWLNDXJWUZTPK-VIFPVBQESA-N 0 0 152.241 1.663 10 0 ADAERN C1=Cc2ncc3cccn3c2C1 90751009 166081317 /nfs/dbraw/zinc/08/13/17/166081317.db2.gz WBUKMJWSHUYKQZ-UHFFFAOYSA-N 0 0 156.188 1.904 10 0 ADAERN C1=NC2=NCCC[C@H]2CC1 24187420 166081327 /nfs/dbraw/zinc/08/13/27/166081327.db2.gz ASNMOACZTSDMOX-SSDOTTSWSA-N 0 0 136.198 1.660 10 0 ADAERN C1=NCn2c(nc3ccccc32)N=C1 95923138 166081353 /nfs/dbraw/zinc/08/13/53/166081353.db2.gz OYKONWZAIYVHHJ-UHFFFAOYSA-N 0 0 184.202 1.781 10 0 ADAERN C1=Cc2onc3c2CN(C3)S1 39113231 166081360 /nfs/dbraw/zinc/08/13/60/166081360.db2.gz XQOWSTNKSAMIEC-UHFFFAOYSA-N 0 0 166.205 1.623 10 0 ADAERN C1=NCOCc2nc3ccccc3n21 95923121 166081384 /nfs/dbraw/zinc/08/13/84/166081384.db2.gz CQFNBVVUHUQTBG-UHFFFAOYSA-N 0 0 187.202 1.400 10 0 ADAERN c1cc2c3c(c1)NC[C@@H]3CN=N2 82405510 166081414 /nfs/dbraw/zinc/08/14/14/166081414.db2.gz VNFNWDKQLJUOQL-ZCFIWIBFSA-N 0 0 159.192 1.607 10 0 ADAERN C1=NN2CCCC[C@H]2CC1 24183401 166081435 /nfs/dbraw/zinc/08/14/35/166081435.db2.gz XSBVHQWSBSVVNW-QMMMGPOBSA-N 0 0 138.214 1.621 10 0 ADAERN C1=Cn2c(nc3ccccc32)OC1 95931718 166081441 /nfs/dbraw/zinc/08/14/41/166081441.db2.gz HINOQFFYPXRGKW-UHFFFAOYSA-N 0 0 172.187 1.899 10 0 ADAERN C1=Cc2cnccc2NO1 24190899 166081450 /nfs/dbraw/zinc/08/14/50/166081450.db2.gz JYQWTWLIJAQHFV-UHFFFAOYSA-N 0 0 134.138 1.409 10 0 ADAERN C1=NOCc2ccccc21 24190633 166081484 /nfs/dbraw/zinc/08/14/84/166081484.db2.gz BZQYQHBLAIWZAC-UHFFFAOYSA-N 0 0 133.150 1.551 10 0 ADAERN C1=Cc2ncccc2NO1 72231170 166081492 /nfs/dbraw/zinc/08/14/92/166081492.db2.gz NSPBZXNXJPYGNG-UHFFFAOYSA-N 0 0 134.138 1.409 10 0 ADAERN C1=N[C@@H](c2ccccc2)NC1 26738242 166081505 /nfs/dbraw/zinc/08/15/05/166081505.db2.gz ROAYWFQSZQNCIV-SECBINFHSA-N 0 0 146.193 1.359 10 0 ADAERN C1=N[C@H]2CCCCCN2CC1 39080394 166081513 /nfs/dbraw/zinc/08/15/13/166081513.db2.gz CGWLNDXJWUZTPK-SECBINFHSA-N 0 0 152.241 1.663 10 0 ADAERN C1=NO[C@@H](c2ccccn2)C1 39050734 166081547 /nfs/dbraw/zinc/08/15/47/166081547.db2.gz JPLUXNNQPNRROK-MRVPVSSYSA-N 0 0 148.165 1.529 10 0 ADAERN C1=NN2CCCC[C@H]2C1 72231445 166081565 /nfs/dbraw/zinc/08/15/65/166081565.db2.gz OCZWOXHGRXDCNR-ZETCQYMHSA-N 0 0 124.187 1.230 10 0 ADAERN C1=NCSc2cnccc21 39051771 166081592 /nfs/dbraw/zinc/08/15/92/166081592.db2.gz ZGOLORIZFYHUSW-UHFFFAOYSA-N 0 0 150.206 1.564 10 0 ADAERN C1=Cc2ncccc2N=CO1 23672761 166081602 /nfs/dbraw/zinc/08/16/02/166081602.db2.gz HTZFUMZOODMDBJ-UHFFFAOYSA-N 0 0 146.149 1.742 10 0 ADAERN C1=NCn2cnc3cccc1c32 45238390 166081607 /nfs/dbraw/zinc/08/16/07/166081607.db2.gz NMXAVTBAHUKNHW-UHFFFAOYSA-N 0 0 157.176 1.426 10 0 ADAERN C1=Cc2ncccc2CO1 24190652 166081629 /nfs/dbraw/zinc/08/16/29/166081629.db2.gz RMDFJPZSIHHQRG-UHFFFAOYSA-N 0 0 133.150 1.583 10 0 ADAERN C1=NCc2cc3ncoc3cc21 39128757 166081644 /nfs/dbraw/zinc/08/16/44/166081644.db2.gz SYMWRHJOEIJOAF-UHFFFAOYSA-N 0 0 158.160 1.760 10 0 ADAERN C1=Cc2ncncc2C1 39053845 166081657 /nfs/dbraw/zinc/08/16/57/166081657.db2.gz FBBAXRAVJZOJGF-UHFFFAOYSA-N 0 0 118.139 1.046 10 0 ADAERN C1=Cc2ncncc2CS1 95935717 166081679 /nfs/dbraw/zinc/08/16/79/166081679.db2.gz TWTVQBJBEVAQIX-UHFFFAOYSA-N 0 0 150.206 1.694 10 0 ADAERN C1=NCc2nc3ccccc3nc21 39134389 166081687 /nfs/dbraw/zinc/08/16/87/166081687.db2.gz CJOYNCNSOQNQIX-UHFFFAOYSA-N 0 0 169.187 1.562 10 0 ADAERN C1=NC2=CCc3cnoc3C2=C1 95932804 166081732 /nfs/dbraw/zinc/08/17/32/166081732.db2.gz GVBJZJCLTYJSNO-UHFFFAOYSA-N 0 0 158.160 1.582 10 0 ADAERN C1=NC=C2OCOC2=CS1 90751061 166081746 /nfs/dbraw/zinc/08/17/46/166081746.db2.gz NPJNZIPXOUFZPX-UHFFFAOYSA-N 0 0 155.178 1.449 10 0 ADAERN C1=NN(Cc2ccccc2)CC1 21995254 166081767 /nfs/dbraw/zinc/08/17/67/166081767.db2.gz OOIUEWOQTBCYIR-UHFFFAOYSA-N 0 0 160.220 1.878 10 0 ADAERN c1cc2c3c(c1)NC[C@H]3CN=N2 82405509 166081777 /nfs/dbraw/zinc/08/17/77/166081777.db2.gz VNFNWDKQLJUOQL-LURJTMIESA-N 0 0 159.192 1.607 10 0 ADAERN C1=NN(c2ccccc2)CC1 21995242 166081788 /nfs/dbraw/zinc/08/17/88/166081788.db2.gz IUHNMXNPPUIQHZ-UHFFFAOYSA-N 0 0 146.193 1.883 10 0 ADAERN C1=NCC=C2N=NC=C12 72230767 166081804 /nfs/dbraw/zinc/08/18/04/166081804.db2.gz UNCSKXYFAVPDFT-UHFFFAOYSA-N 0 0 119.127 1.304 10 0 ADAERN C1=NOCc2nc3ccccc3n21 95931153 166081813 /nfs/dbraw/zinc/08/18/13/166081813.db2.gz MGUWQBZJLKGIEG-UHFFFAOYSA-N 0 0 173.175 1.358 10 0 ADAERN C1=NCc2c3ccccc3nn21 39133816 166081818 /nfs/dbraw/zinc/08/18/18/166081818.db2.gz APTYVALQTTVYLM-UHFFFAOYSA-N 0 0 157.176 1.426 10 0 ADAERN C1=Cc2cncnc2SC1 95936016 166081838 /nfs/dbraw/zinc/08/18/38/166081838.db2.gz LJDXGHMZMKRRDX-UHFFFAOYSA-N 0 0 150.206 1.596 10 0 ADAERN C1=NO[C@H](c2ccccn2)C1 39050732 166081843 /nfs/dbraw/zinc/08/18/43/166081843.db2.gz JPLUXNNQPNRROK-QMMMGPOBSA-N 0 0 148.165 1.529 10 0 ADAERN C1=Cc2ncncc2CC=N1 39053341 166081850 /nfs/dbraw/zinc/08/18/50/166081850.db2.gz MVRUFZYNGWOTGR-UHFFFAOYSA-N 0 0 145.165 1.074 10 0 ADAERN C1=N[C@]2(CCc3ccccc3C2)CO1 27327842 166081854 /nfs/dbraw/zinc/08/18/54/166081854.db2.gz BLBWHCSUJADLRM-LBPRGKRZSA-N 0 0 187.242 1.973 10 0 ADAERN C1=NC=C2CC1=C1C=NC=C21 100313994 166081857 /nfs/dbraw/zinc/08/18/57/166081857.db2.gz CUZPVZJSIZXOLT-UHFFFAOYSA-N 0 0 142.161 1.623 10 0 ADAERN C1=NN=Cc2ccccc2N1 23656148 166081871 /nfs/dbraw/zinc/08/18/71/166081871.db2.gz POAFTJNORJRQAU-UHFFFAOYSA-N 0 0 145.165 1.284 10 0 ADAERN C1=NCCN1[C@H]1Cc2ccccc2O1 95934509 166081889 /nfs/dbraw/zinc/08/18/89/166081889.db2.gz MBNALWAUADHEEL-LLVKDONJSA-N 0 0 188.230 1.292 10 0 ADAERN C1=Cn2c(nc3ccccc32)[N-][NH+]=C1 95923114 166081936 /nfs/dbraw/zinc/08/19/36/166081936.db2.gz CCSGNFDEHBQBEB-UHFFFAOYSA-N 0 0 184.202 1.918 10 0 ADAERN C1=NC[C@H]2CCCC[C@@H]2O1 5282898 166081942 /nfs/dbraw/zinc/08/19/42/166081942.db2.gz KYMOFAKMZASPBK-SFYZADRCSA-N 0 0 139.198 1.604 10 0 ADAERN C1=NCC2=CN=NC2=C1 72230768 166081944 /nfs/dbraw/zinc/08/19/44/166081944.db2.gz MLKOZNHTOALBRP-UHFFFAOYSA-N 0 0 119.127 1.304 10 0 ADAERN C1=NCc2cnccc21 100304606 166081952 /nfs/dbraw/zinc/08/19/52/166081952.db2.gz DPZVOQSREQBFML-UHFFFAOYSA-N 0 0 118.139 1.014 10 0 ADAERN C1=Nc2cc3cccn3c2=C1 39078994 166081959 /nfs/dbraw/zinc/08/19/59/166081959.db2.gz LUHHQCDQUZRLTI-UHFFFAOYSA-N 0 0 142.161 1.155 10 0 ADAERN C[C@@H](CCO)Nc1cc(N)cc(F)c1 132341467 343896617 /nfs/dbraw/zinc/89/66/17/343896617.db2.gz LRTKRWPHSPQVHW-ZETCQYMHSA-N 0 0 198.241 1.591 10 0 ADAERN OCc1ccc(N[C@H]2CCOC2)cc1 132311742 343896749 /nfs/dbraw/zinc/89/67/49/343896749.db2.gz NUGOMMQYLIRCLQ-NSHDSACASA-N 0 0 193.246 1.380 10 0 ADAERN C1=Nc2ncccc2C12CC2 39050915 166082922 /nfs/dbraw/zinc/08/29/22/166082922.db2.gz WOEAWNHQCJVAOH-UHFFFAOYSA-N 0 0 144.177 1.829 10 0 ADAERN C1=Nc2ccncc2CO1 72231251 166083067 /nfs/dbraw/zinc/08/30/67/166083067.db2.gz DGOQDVPXWOJZIT-UHFFFAOYSA-N 0 0 134.138 1.272 10 0 ADAERN C1=Nc2cnccc2CO1 72231252 166083133 /nfs/dbraw/zinc/08/31/33/166083133.db2.gz ZJIIJJDTFCLUOK-UHFFFAOYSA-N 0 0 134.138 1.272 10 0 ADAERN C1=Nc2cccnc2CO1 72231254 166083247 /nfs/dbraw/zinc/08/32/47/166083247.db2.gz SRMBWRFVGSZYGH-UHFFFAOYSA-N 0 0 134.138 1.272 10 0 ADAERN C1=Nc2ccccc2Cn2nccc21 39384777 166083326 /nfs/dbraw/zinc/08/33/26/166083326.db2.gz JQFBQLXRTOUBTG-UHFFFAOYSA-N 0 0 183.214 1.995 10 0 ADAERN C1=Nn2c(nc3ccccc32)CO1 95932751 166083365 /nfs/dbraw/zinc/08/33/65/166083365.db2.gz WGQODORYBADPIC-UHFFFAOYSA-N 0 0 173.175 1.358 10 0 ADAERN C1=Nc2nc[nH]c2[C@@H]2SCCN12 26438578 166083410 /nfs/dbraw/zinc/08/34/10/166083410.db2.gz YSRPISTWFPQIFA-ZETCQYMHSA-N 0 0 180.236 1.131 10 0 ADAERN C1=Nc2nc3ccccc3n2SN1 95931714 166083446 /nfs/dbraw/zinc/08/34/46/166083446.db2.gz DAIHBUXVNHVICF-UHFFFAOYSA-N 0 0 190.231 1.711 10 0 ADAERN C1=Nc2nc[nH]c2[C@H]2SCCN12 26438582 166083458 /nfs/dbraw/zinc/08/34/58/166083458.db2.gz YSRPISTWFPQIFA-SSDOTTSWSA-N 0 0 180.236 1.131 10 0 ADAERN C1=Nc2cccnc21 72230761 166083495 /nfs/dbraw/zinc/08/34/95/166083495.db2.gz TXYIFNMOFKSGIV-UHFFFAOYSA-N 0 0 104.112 1.146 10 0 ADAERN C1=Nc2ncccc2CO1 72231329 166083609 /nfs/dbraw/zinc/08/36/09/166083609.db2.gz RLSGJAOWQJJEQN-UHFFFAOYSA-N 0 0 134.138 1.272 10 0 ADAERN C1=Nc2cnc3cccc-3n2C1 95931186 166083773 /nfs/dbraw/zinc/08/37/73/166083773.db2.gz ZLGGLTZGPGFMIE-UHFFFAOYSA-N 0 0 157.176 1.704 10 0 ADAERN C1=Nc2ccccc2OC1 2510645 166083776 /nfs/dbraw/zinc/08/37/76/166083776.db2.gz PVTXJGJDOHYFOX-UHFFFAOYSA-N 0 0 133.150 1.781 10 0 ADAERN C1=c2c(ccc3c2=NCS3)N=N1 45236591 166083971 /nfs/dbraw/zinc/08/39/71/166083971.db2.gz RUVGAGPVSWQCHV-UHFFFAOYSA-N 0 0 175.216 1.205 10 0 ADAERN C1=CSc2nc3ccccc3n2N1 95931717 166084020 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5480681 166211382 /nfs/dbraw/zinc/21/13/82/166211382.db2.gz CGXVUIBINWTLNT-UHFFFAOYSA-N 0 0 170.208 1.835 10 0 ADAERN C=COc1ccc2c(c1)OCO2 38312266 166211460 /nfs/dbraw/zinc/21/14/60/166211460.db2.gz PRWAZIKTQHKDEZ-UHFFFAOYSA-N 0 0 164.160 1.938 10 0 ADAERN C=COCC1CC1 38218548 166211466 /nfs/dbraw/zinc/21/14/66/166211466.db2.gz UBHRUCXSBYBLOK-UHFFFAOYSA-N 0 0 98.145 1.557 10 0 ADAERN C=COC(=O)c1ccccn1 39087606 166211475 /nfs/dbraw/zinc/21/14/75/166211475.db2.gz XMRSOHHGKKRLOS-UHFFFAOYSA-N 0 0 149.149 1.382 10 0 ADAERN C=CS(=O)(=O)c1cccc(N)c1 34541390 166211709 /nfs/dbraw/zinc/21/17/09/166211709.db2.gz MQGYECBMARZDNO-UHFFFAOYSA-N 0 0 183.232 1.186 10 0 ADAERN C=COC(=O)c1ccncc1 39087607 166211810 /nfs/dbraw/zinc/21/18/10/166211810.db2.gz URZQJRQWDDCOPO-UHFFFAOYSA-N 0 0 149.149 1.382 10 0 ADAERN CCC[C@]1(O)CCO[C@@H]1C 133286399 343915358 /nfs/dbraw/zinc/91/53/58/343915358.db2.gz RSJUUXBAAYIMTA-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN C=COc1ccccc1N 75524872 166211871 /nfs/dbraw/zinc/21/18/71/166211871.db2.gz JQXXWGIXGAYXKS-UHFFFAOYSA-N 0 0 135.166 1.791 10 0 ADAERN C=COc1cc(O)cc(O)c1 39059352 166211916 /nfs/dbraw/zinc/21/19/16/166211916.db2.gz PCPXULICWBYAAW-UHFFFAOYSA-N 0 0 152.149 1.620 10 0 ADAERN C=CS(=O)(=O)c1nc(C)cc(C)n1 35676134 166211940 /nfs/dbraw/zinc/21/19/40/166211940.db2.gz AUNHAYZEXVWIEB-UHFFFAOYSA-N 0 0 198.247 1.011 10 0 ADAERN C=COCCOC=C 1603457 166211959 /nfs/dbraw/zinc/21/19/59/166211959.db2.gz ZXHDVRATSGZISC-UHFFFAOYSA-N 0 0 114.144 1.307 10 0 ADAERN C=CS(=O)(=O)c1ccccc1C 34070711 166211974 /nfs/dbraw/zinc/21/19/74/166211974.db2.gz AKASKBOZOXUFST-UHFFFAOYSA-N 0 0 182.244 1.912 10 0 ADAERN C=COC(=O)c1ccc(O)cc1 39377346 166211979 /nfs/dbraw/zinc/21/19/79/166211979.db2.gz WKKZXMNRKBVUKQ-UHFFFAOYSA-N 0 0 164.160 1.693 10 0 ADAERN C=COc1ccccc1C(N)=O 39063489 166212009 /nfs/dbraw/zinc/21/20/09/166212009.db2.gz ULELHHCTZPJSBB-UHFFFAOYSA-N 0 0 163.176 1.308 10 0 ADAERN C=COCCOCCCC 1665014 166212011 /nfs/dbraw/zinc/21/20/11/166212011.db2.gz UNMYKPSSIFZORM-UHFFFAOYSA-N 0 0 144.214 1.963 10 0 ADAERN C=COc1ccncc1 34467105 166212026 /nfs/dbraw/zinc/21/20/26/166212026.db2.gz DSYVTPLSTSHKKM-UHFFFAOYSA-N 0 0 121.139 1.604 10 0 ADAERN C=COC1CCC1 34301077 166212038 /nfs/dbraw/zinc/21/20/38/166212038.db2.gz QLCCBKRRTJZZOE-UHFFFAOYSA-N 0 0 98.145 1.699 10 0 ADAERN C=COc1ccccc1CO 39089160 166212040 /nfs/dbraw/zinc/21/20/40/166212040.db2.gz HHNXTTRUDPKPIR-UHFFFAOYSA-N 0 0 150.177 1.701 10 0 ADAERN C=COCC[C@H](C)C(C)=O 39069190 166212049 /nfs/dbraw/zinc/21/20/49/166212049.db2.gz VXKLFXLOKXOQTK-ZETCQYMHSA-N 0 0 142.198 1.762 10 0 ADAERN C=CS(=O)(=O)c1cc(C)nc(C)n1 37756862 166212063 /nfs/dbraw/zinc/21/20/63/166212063.db2.gz VRVICBTZGBTUOI-UHFFFAOYSA-N 0 0 198.247 1.011 10 0 ADAERN C=COC(F)(F)F 33992075 166212084 /nfs/dbraw/zinc/21/20/84/166212084.db2.gz FPDZOFFZSWSOSL-UHFFFAOYSA-N 0 0 112.050 1.666 10 0 ADAERN C=CS(=O)(=O)c1ncccc1C 51041243 166212102 /nfs/dbraw/zinc/21/21/02/166212102.db2.gz GNWDSEMJKOBTDY-UHFFFAOYSA-N 0 0 183.232 1.307 10 0 ADAERN C=COc1ccnc(SC)n1 45817407 166212104 /nfs/dbraw/zinc/21/21/04/166212104.db2.gz YLBAMPOHQHEZHY-UHFFFAOYSA-N 0 0 168.221 1.721 10 0 ADAERN C=COC(=O)c1cccnc1 39087605 166212114 /nfs/dbraw/zinc/21/21/14/166212114.db2.gz JVOVNPWHZSYGPN-UHFFFAOYSA-N 0 0 149.149 1.382 10 0 ADAERN C=COCC1(CC)COC1 113662653 166212119 /nfs/dbraw/zinc/21/21/19/166212119.db2.gz LDBOYMRNYCBDQK-UHFFFAOYSA-N 0 0 142.198 1.573 10 0 ADAERN C=COCC[C@@H](C)C(C)=O 39069191 166212122 /nfs/dbraw/zinc/21/21/22/166212122.db2.gz VXKLFXLOKXOQTK-SSDOTTSWSA-N 0 0 142.198 1.762 10 0 ADAERN C=CS(=O)(=O)c1cc(C)ccn1 43561732 166212132 /nfs/dbraw/zinc/21/21/32/166212132.db2.gz BIBYWRYXXIUBPX-UHFFFAOYSA-N 0 0 183.232 1.307 10 0 ADAERN C=CS(=O)(=O)N(C(C)C)C(C)C 91352083 166212140 /nfs/dbraw/zinc/21/21/40/166212140.db2.gz JVMGMEUIBRDQAJ-UHFFFAOYSA-N 0 0 191.296 1.579 10 0 in-vitro ADAERN C=CS(=O)(=O)c1cccc(C)n1 37670802 166212142 /nfs/dbraw/zinc/21/21/42/166212142.db2.gz QHNJZCCOGDKXEI-UHFFFAOYSA-N 0 0 183.232 1.307 10 0 ADAERN C=COC(=O)c1cccc(O)c1 39377345 166212148 /nfs/dbraw/zinc/21/21/48/166212148.db2.gz SOBPCXOVFYFNRR-UHFFFAOYSA-N 0 0 164.160 1.693 10 0 ADAERN C=CS(=O)(=O)c1ccc(F)cn1 41045478 166212161 /nfs/dbraw/zinc/21/21/61/166212161.db2.gz QIHIRBYPBQACQE-UHFFFAOYSA-N 0 0 187.195 1.138 10 0 ADAERN C=COCCNC(=O)CC(C)C 5643248 166212189 /nfs/dbraw/zinc/21/21/89/166212189.db2.gz SLRYBLMJLJFYTO-UHFFFAOYSA-N 0 0 171.240 1.309 10 0 ADAERN C=CO[C@H](C)CC 39414359 166212194 /nfs/dbraw/zinc/21/21/94/166212194.db2.gz PIUJWWBOMGMSAY-ZCFIWIBFSA-N 0 0 100.161 1.945 10 0 ADAERN C=CO[P@H](C)=O 263583897 166212216 /nfs/dbraw/zinc/21/22/16/166212216.db2.gz DJCXOKUFXHDZDS-UHFFFAOYSA-N 0 0 106.061 1.251 10 0 ADAERN C=CS(=O)(=O)c1ccc(C)cn1 35322421 166212218 /nfs/dbraw/zinc/21/22/18/166212218.db2.gz XZGCWMKTDZJGEC-UHFFFAOYSA-N 0 0 183.232 1.307 10 0 ADAERN C=COc1ccccc1O 39221567 166212230 /nfs/dbraw/zinc/21/22/30/166212230.db2.gz AACJJTBDGOLJLL-UHFFFAOYSA-N 0 0 136.150 1.915 10 0 ADAERN C=COc1ccc(C(=O)OC)cc1 34573406 166212232 /nfs/dbraw/zinc/21/22/32/166212232.db2.gz DHCNJPANLQUDHC-UHFFFAOYSA-N 0 0 178.187 1.996 10 0 ADAERN C=CS(=O)(=O)c1nccs1 35322431 166212244 /nfs/dbraw/zinc/21/22/44/166212244.db2.gz XKHCZYVWOPCNND-UHFFFAOYSA-N 0 0 175.234 1.060 10 0 ADAERN C=COc1cccc(N)c1 75524870 166212246 /nfs/dbraw/zinc/21/22/46/166212246.db2.gz KJCMDALMWWJPHM-UHFFFAOYSA-N 0 0 135.166 1.791 10 0 ADAERN C=CO[C@@H](C)CC 39414360 166212251 /nfs/dbraw/zinc/21/22/51/166212251.db2.gz PIUJWWBOMGMSAY-LURJTMIESA-N 0 0 100.161 1.945 10 0 ADAERN C=COC(=O)[C@@H](N)Cc1ccccc1 80313781 166212252 /nfs/dbraw/zinc/21/22/52/166212252.db2.gz KNVKDUHLSACWTD-JTQLQIEISA-N 0 0 191.230 1.243 10 0 ADAERN C[C@@H]1OCC[C@]1(O)C1CCCC1 133302926 343915421 /nfs/dbraw/zinc/91/54/21/343915421.db2.gz ZERZAFMLOSTVDB-WCBMZHEXSA-N 0 0 170.252 1.717 10 0 ADAERN COc1cc(-n2ccnc2C)ccn1 133309817 343915453 /nfs/dbraw/zinc/91/54/53/343915453.db2.gz QCVPBYZGEGYKPO-UHFFFAOYSA-N 0 0 189.218 1.584 10 0 ADAERN C=C[P@@](C)(=O)OC 34064779 166222038 /nfs/dbraw/zinc/22/20/38/166222038.db2.gz JGKYKHWBHHCLEP-ZETCQYMHSA-N 0 0 120.088 1.684 10 0 ADAERN C=C[P@](C)(=O)OC 34064780 166222071 /nfs/dbraw/zinc/22/20/71/166222071.db2.gz JGKYKHWBHHCLEP-SSDOTTSWSA-N 0 0 120.088 1.684 10 0 ADAERN C=C[Si](C)(C)c1ncccn1 197991340 166222118 /nfs/dbraw/zinc/22/21/18/166222118.db2.gz LMGHHKFPOSCVPL-UHFFFAOYSA-N 0 0 164.284 1.117 10 0 ADAERN C=Cc1ccc(C)n1C 32144941 166222249 /nfs/dbraw/zinc/22/22/49/166222249.db2.gz CVQNWOVRQWZFKY-UHFFFAOYSA-N 0 0 121.183 1.977 10 0 ADAERN C=Cc1ccc2no[n+]([O-])c2c1 1612603 166222352 /nfs/dbraw/zinc/22/23/52/166222352.db2.gz JVIZKGUQPBSJRW-UHFFFAOYSA-N 0 0 162.148 1.104 10 0 ADAERN C=Cc1ccc(C(C)=O)nc1 39050118 166222467 /nfs/dbraw/zinc/22/24/67/166222467.db2.gz YTKMXBJITMFUEP-UHFFFAOYSA-N 0 0 147.177 1.927 10 0 ADAERN C=Cc1ccc(C=O)c(O)c1 39061751 166222474 /nfs/dbraw/zinc/22/24/74/166222474.db2.gz BXYVBHVCQLBCID-UHFFFAOYSA-N 0 0 148.161 1.848 10 0 ADAERN C=Cc1cc[nH]c1 34060311 166222511 /nfs/dbraw/zinc/22/25/11/166222511.db2.gz PLXFPCQGPZECLF-UHFFFAOYSA-N 0 0 93.129 1.658 10 0 ADAERN C=Cc1ccc(NC(=O)OC)nc1 39138910 166222549 /nfs/dbraw/zinc/22/25/49/166222549.db2.gz FKLJENIOOVXDPY-UHFFFAOYSA-N 0 0 178.191 1.903 10 0 ADAERN C=Cc1cccc(C(N)=O)c1 39064612 166222589 /nfs/dbraw/zinc/22/25/89/166222589.db2.gz XCWZMZNDYXEKIX-UHFFFAOYSA-N 0 0 147.177 1.429 10 0 ADAERN C=Cc1ccc(CO)cn1 39050410 166222597 /nfs/dbraw/zinc/22/25/97/166222597.db2.gz NPXRTHTXQJNMHF-UHFFFAOYSA-N 0 0 135.166 1.217 10 0 ADAERN C=Cc1ccc[n+]([O-])c1C 72231361 166222621 /nfs/dbraw/zinc/22/26/21/166222621.db2.gz ULHUJPLIAHWIEE-UHFFFAOYSA-N 0 0 135.166 1.271 10 0 ADAERN C=Cc1ccc(O)c(C=O)c1 39061764 166222747 /nfs/dbraw/zinc/22/27/47/166222747.db2.gz VJLVGOUBVJLEDT-UHFFFAOYSA-N 0 0 148.161 1.848 10 0 ADAERN C=Cc1ccc(C(=O)OC)[nH]1 45792877 166222757 /nfs/dbraw/zinc/22/27/57/166222757.db2.gz YIJXOYFVYBEYQM-UHFFFAOYSA-N 0 0 151.165 1.444 10 0 ADAERN C=Cc1cc[n+]([O-])cc1C 72231377 166222833 /nfs/dbraw/zinc/22/28/33/166222833.db2.gz QRVITCANTKGLPM-UHFFFAOYSA-N 0 0 135.166 1.271 10 0 ADAERN C=Cc1ccc(C(=O)OC)cc1N 75567247 166222847 /nfs/dbraw/zinc/22/28/47/166222847.db2.gz BTPIUNFXRAHCCX-UHFFFAOYSA-N 0 0 177.203 1.698 10 0 ADAERN C=Cc1cccc2c1C(=O)C(=O)N2 231437342 166222938 /nfs/dbraw/zinc/22/29/38/166222938.db2.gz MXMKMOHQBVGQTL-UHFFFAOYSA-N 0 0 173.171 1.464 10 0 ADAERN C=Cc1cccc([C@H]([NH3+])C(=O)[O-])c1 72191028 166223160 /nfs/dbraw/zinc/22/31/60/166223160.db2.gz ZKFJARQTACPBMG-VIFPVBQESA-N 0 0 177.203 1.414 10 0 ADAERN C=Cc1ccc(CCO)nc1 95670037 166223170 /nfs/dbraw/zinc/22/31/70/166223170.db2.gz RDDTWVGYAHLVOK-UHFFFAOYSA-N 0 0 149.193 1.259 10 0 ADAERN C=Cc1ccc(CO)nc1 72231335 166223175 /nfs/dbraw/zinc/22/31/75/166223175.db2.gz GPZUSFRRJDSABK-UHFFFAOYSA-N 0 0 135.166 1.217 10 0 ADAERN C=Cc1ccc2c(c1)CS(=O)(=O)C2 90735119 166223186 /nfs/dbraw/zinc/22/31/86/166223186.db2.gz KHWQITFBSAZENY-UHFFFAOYSA-N 0 0 194.255 1.758 10 0 ADAERN C=Cc1cccc(CO)c1 33727850 166223196 /nfs/dbraw/zinc/22/31/96/166223196.db2.gz FPDDOFWJHHYHOU-UHFFFAOYSA-N 0 0 134.178 1.822 10 0 in-vitro ADAERN C=Cc1ccc(CC)c(N)n1 211695693 166223200 /nfs/dbraw/zinc/22/32/00/166223200.db2.gz WHTJMBJDLCUDAW-UHFFFAOYSA-N 0 0 148.209 1.869 10 0 ADAERN C=Cc1cccc(CO)n1 39051323 166223205 /nfs/dbraw/zinc/22/32/05/166223205.db2.gz FQEOBYXEKYKLEO-UHFFFAOYSA-N 0 0 135.166 1.217 10 0 ADAERN C=Cc1ccc(-c2nnn(C)n2)cc1 32192911 166223218 /nfs/dbraw/zinc/22/32/18/166223218.db2.gz RAPBLXIJQCCPLL-UHFFFAOYSA-N 0 0 186.218 1.520 10 0 ADAERN C=Cc1ccc(C)nn1 114874020 166223237 /nfs/dbraw/zinc/22/32/37/166223237.db2.gz KXOALCNSJPMPQQ-UHFFFAOYSA-N 0 0 120.155 1.428 10 0 ADAERN C=Cc1cccc(/C=C\C(N)=O)c1 44262217 166223256 /nfs/dbraw/zinc/22/32/56/166223256.db2.gz KPJWKEGISMPREQ-SREVYHEPSA-N 0 0 173.215 1.828 10 0 ADAERN C=Cc1ccc(C)nc1N 39054282 166223269 /nfs/dbraw/zinc/22/32/69/166223269.db2.gz KFRPWSQMPKIJJX-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN C=Cc1ccc(N)cc1N 34440603 166223271 /nfs/dbraw/zinc/22/32/71/166223271.db2.gz FXKUKPDMOLUQLE-UHFFFAOYSA-N 0 0 134.182 1.494 10 0 ADAERN C=Cc1cccc(NN)c1 34123297 166223292 /nfs/dbraw/zinc/22/32/92/166223292.db2.gz BYQNEICZENTULY-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN C=Cc1cccc(C(=O)OC)n1 168433523 166223303 /nfs/dbraw/zinc/22/33/03/166223303.db2.gz MJAGAAYXKQNLFQ-UHFFFAOYSA-N 0 0 163.176 1.511 10 0 ADAERN C=Cc1ccc(N)c2c1CNC2=O 89211315 166223310 /nfs/dbraw/zinc/22/33/10/166223310.db2.gz HYKXOWPLVLACPH-UHFFFAOYSA-N 0 0 174.203 1.155 10 0 ADAERN C=Cc1ccc[nH]1 39210048 166223326 /nfs/dbraw/zinc/22/33/26/166223326.db2.gz MZNSQRLUUXWLSB-UHFFFAOYSA-N 0 0 93.129 1.658 10 0 ADAERN C=Cc1ccc(OC)c(N)c1 75538387 166223339 /nfs/dbraw/zinc/22/33/39/166223339.db2.gz RZMVOIDCAVZMGU-UHFFFAOYSA-N 0 0 149.193 1.920 10 0 ADAERN C=Cc1cccc(N)n1 39054277 166223348 /nfs/dbraw/zinc/22/33/48/166223348.db2.gz WKCNOPNIPHRMCY-UHFFFAOYSA-N 0 0 120.155 1.307 10 0 ADAERN C=Cc1cccc(C)[n+]1[O-] 72231456 166223359 /nfs/dbraw/zinc/22/33/59/166223359.db2.gz XJCGGMGOISCRFX-UHFFFAOYSA-N 0 0 135.166 1.271 10 0 ADAERN C=Cc1ccc(C)c(S(N)(=O)=O)c1 39054611 166223360 /nfs/dbraw/zinc/22/33/60/166223360.db2.gz WESSITDVKSFLGP-UHFFFAOYSA-N 0 0 197.259 1.285 10 0 ADAERN C=Cc1cccc(C=O)c1O 39061753 166223391 /nfs/dbraw/zinc/22/33/91/166223391.db2.gz RQUDIOODGJASOK-UHFFFAOYSA-N 0 0 148.161 1.848 10 0 ADAERN C=Cc1ccc(C=O)o1 3643890 166223432 /nfs/dbraw/zinc/22/34/32/166223432.db2.gz YOYFXGKQGYRVDG-UHFFFAOYSA-N 0 0 122.123 1.735 10 0 ADAERN C=Cc1cc[nH]c(=O)c1 34049574 166223456 /nfs/dbraw/zinc/22/34/56/166223456.db2.gz HBMHMDPAZWCIDM-UHFFFAOYSA-N 0 0 121.139 1.018 10 0 ADAERN C=Cc1ccc(OCO)cc1 39089123 166223481 /nfs/dbraw/zinc/22/34/81/166223481.db2.gz PUUVISVZWQCNRU-UHFFFAOYSA-N 0 0 150.177 1.658 10 0 ADAERN C=Cc1ccc2ncc(=O)[nH]c2c1 45823601 166223489 /nfs/dbraw/zinc/22/34/89/166223489.db2.gz NYQWSQWONJDLFV-UHFFFAOYSA-N 0 0 172.187 1.566 10 0 ADAERN C=Cc1ccnc(N(C)C)n1 148626674 166223626 /nfs/dbraw/zinc/22/36/26/166223626.db2.gz DCLHFRPXKKDOCW-UHFFFAOYSA-N 0 0 149.197 1.186 10 0 ADAERN C=Cn1ccc(C(=O)OC)c1 37593624 166223644 /nfs/dbraw/zinc/22/36/44/166223644.db2.gz CBZUMOWPQJQFCH-UHFFFAOYSA-N 0 0 151.165 1.375 10 0 ADAERN C=Cc1nnc([C@@H]2CCCCN2)o1 83340389 166223650 /nfs/dbraw/zinc/22/36/50/166223650.db2.gz XXTDEQNLZFZLNP-ZETCQYMHSA-N 0 0 179.223 1.527 10 0 ADAERN C=Cc1nn2ccccc2c1N 39133896 166223656 /nfs/dbraw/zinc/22/36/56/166223656.db2.gz PEJLFQAXLVGFPZ-UHFFFAOYSA-N 0 0 159.192 1.560 10 0 ADAERN C=Cc1ncccc1OC 72231364 166223665 /nfs/dbraw/zinc/22/36/65/166223665.db2.gz IQFDNMQSUCQSSJ-UHFFFAOYSA-N 0 0 135.166 1.733 10 0 ADAERN C=Cc1cnc(C)c(O)c1CO 39385911 166223712 /nfs/dbraw/zinc/22/37/12/166223712.db2.gz LMHBDZWEZCKIRQ-UHFFFAOYSA-N 0 0 165.192 1.231 10 0 ADAERN C=Cc1cn(C)cn1 114208540 166223771 /nfs/dbraw/zinc/22/37/71/166223771.db2.gz HMAHWEZVVBZFBR-UHFFFAOYSA-N 0 0 108.144 1.063 10 0 ADAERN C=Cc1ncnc2[nH]ccc12 89223845 166223785 /nfs/dbraw/zinc/22/37/85/166223785.db2.gz UOHJOLHPHSUNBG-UHFFFAOYSA-N 0 0 145.165 1.601 10 0 ADAERN C=Cc1cnc(N(C)C)nc1 39052634 166223886 /nfs/dbraw/zinc/22/38/86/166223886.db2.gz OPFFXSZAVRVMGP-UHFFFAOYSA-N 0 0 149.197 1.186 10 0 ADAERN C=Cc1cnc(Cl)nc1NC 90505532 166223910 /nfs/dbraw/zinc/22/39/10/166223910.db2.gz OPRGWEVANMQHEE-UHFFFAOYSA-N 0 0 169.615 1.815 10 0 ADAERN C=Cc1nnc([C@H](N)C(C)(C)C)o1 83340618 166223977 /nfs/dbraw/zinc/22/39/77/166223977.db2.gz PPFIFXYNUJZXGR-ZETCQYMHSA-N 0 0 181.239 1.759 10 0 ADAERN C=Cc1nnc(OC)s1 39140455 166224012 /nfs/dbraw/zinc/22/40/12/166224012.db2.gz ARCCOFSGHYGYQE-UHFFFAOYSA-N 0 0 142.183 1.190 10 0 ADAERN C=Cc1nnc([C@@H](N)CC)o1 83339579 166224041 /nfs/dbraw/zinc/22/40/41/166224041.db2.gz WQKYZNXEXARRRZ-YFKPBYRVSA-N 0 0 153.185 1.122 10 0 ADAERN C=Cc1ccncc1[C@@H](C)O 197225641 166224056 /nfs/dbraw/zinc/22/40/56/166224056.db2.gz FZBRZWLORRMBRL-SSDOTTSWSA-N 0 0 149.193 1.778 10 0 ADAERN C=Cc1cccnc1OC 39050436 166224109 /nfs/dbraw/zinc/22/41/09/166224109.db2.gz DCFHUCODLMBCCG-UHFFFAOYSA-N 0 0 135.166 1.733 10 0 ADAERN C=Cc1cncn1COC 39078440 166224128 /nfs/dbraw/zinc/22/41/28/166224128.db2.gz LGRCVCXYPZDPHS-UHFFFAOYSA-N 0 0 138.170 1.130 10 0 ADAERN C=Cn1cc(CN2CC(F)C2)cn1 307211241 166224165 /nfs/dbraw/zinc/22/41/65/166224165.db2.gz SMJFSIPQHALDET-UHFFFAOYSA-N 0 0 181.214 1.137 10 0 ADAERN C=Cc1ccncc1O 39050355 166224228 /nfs/dbraw/zinc/22/42/28/166224228.db2.gz PUBZPHLGFGMBED-UHFFFAOYSA-N 0 0 121.139 1.430 10 0 ADAERN C=Cc1cnc2c(C(N)=O)cccc2c1 40919069 166224242 /nfs/dbraw/zinc/22/42/42/166224242.db2.gz CODIVOZOEAWHDX-UHFFFAOYSA-N 0 0 198.225 1.977 10 0 in-vivo ADAERN C=Cc1ccnc(CO)c1 39050923 166224248 /nfs/dbraw/zinc/22/42/48/166224248.db2.gz ZJJMMRSZOLQDRJ-UHFFFAOYSA-N 0 0 135.166 1.217 10 0 ADAERN C=Cc1cn(COC)cn1 39078392 166224264 /nfs/dbraw/zinc/22/42/64/166224264.db2.gz NGLKAMZVUZKWAA-UHFFFAOYSA-N 0 0 138.170 1.130 10 0 ADAERN C=Cn1ccnc1Br 75842548 166224278 /nfs/dbraw/zinc/22/42/78/166224278.db2.gz COHRMBBAZLXLQZ-UHFFFAOYSA-N 0 0 173.013 1.746 10 0 ADAERN C=Cc1cncc(CO)c1C 207138556 166224281 /nfs/dbraw/zinc/22/42/81/166224281.db2.gz OEBMGFIXALXELD-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN C=Cc1cscn1 2564415 166224298 /nfs/dbraw/zinc/22/42/98/166224298.db2.gz NCXCIXKCYIILLT-UHFFFAOYSA-N 0 0 111.169 1.786 10 0 ADAERN C=Cc1cncn1C 34463648 166224334 /nfs/dbraw/zinc/22/43/34/166224334.db2.gz AUHSAHIUCMNMLS-UHFFFAOYSA-N 0 0 108.144 1.063 10 0 ADAERN C=Cc1ncccc1OC(C)=O 39089492 166224338 /nfs/dbraw/zinc/22/43/38/166224338.db2.gz GVAHKDLRAUVDIR-UHFFFAOYSA-N 0 0 163.176 1.650 10 0 ADAERN C=Cn1c(CO)nc2ccccc21 95923372 166224376 /nfs/dbraw/zinc/22/43/76/166224376.db2.gz YFYMLLZTJRWUHU-UHFFFAOYSA-N 0 0 174.203 1.629 10 0 ADAERN C=Cc1nnc(-c2cccc(N)c2)o1 83341272 166224389 /nfs/dbraw/zinc/22/43/89/166224389.db2.gz ZKGZEZQLHIWJHD-UHFFFAOYSA-N 0 0 187.202 1.962 10 0 ADAERN C=Cn1ccc(=S)[nH]c1=O 39080593 166224403 /nfs/dbraw/zinc/22/44/03/166224403.db2.gz IQVPXTIJSDYBOT-UHFFFAOYSA-N 0 0 154.194 1.419 10 0 ADAERN C=Cc1nccc(C)c1CO 209744937 166224425 /nfs/dbraw/zinc/22/44/25/166224425.db2.gz MEMJRMHADDMQPK-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN C=Cc1ncccc1N 39050664 166224460 /nfs/dbraw/zinc/22/44/60/166224460.db2.gz VCHWAOGZSFCTEL-UHFFFAOYSA-N 0 0 120.155 1.307 10 0 ADAERN C=Cc1ccccc1[C@H]([NH3+])C(=O)[O-] 72191027 166224462 /nfs/dbraw/zinc/22/44/62/166224462.db2.gz HGXMBYDYKWXJNH-VIFPVBQESA-N 0 0 177.203 1.414 10 0 ADAERN C=Cc1ccncc1OC 35569878 166224497 /nfs/dbraw/zinc/22/44/97/166224497.db2.gz OLOQKVSNPSQTEW-UHFFFAOYSA-N 0 0 135.166 1.733 10 0 ADAERN C=Cn1ccc(C(C)=O)c1 39068691 166224509 /nfs/dbraw/zinc/22/45/09/166224509.db2.gz NJLIQQMUHAKJAE-UHFFFAOYSA-N 0 0 135.166 1.791 10 0 ADAERN C=Cn1ccnc1-c1ccc(N)nc1 75878190 166224512 /nfs/dbraw/zinc/22/45/12/166224512.db2.gz RXEYXVFFYZTYRI-UHFFFAOYSA-N 0 0 186.218 1.628 10 0 ADAERN C=Cc1sc(C=O)c2c1OCCO2 22002857 166224520 /nfs/dbraw/zinc/22/45/20/166224520.db2.gz GJIUYSTYRFPVMB-UHFFFAOYSA-N 0 0 196.227 1.975 10 0 ADAERN C=Cc1ccnc(C(=O)OC)c1 39058347 166224523 /nfs/dbraw/zinc/22/45/23/166224523.db2.gz ZLLWXDABMGWRTP-UHFFFAOYSA-N 0 0 163.176 1.511 10 0 ADAERN C=Cc1cncn1CC 39073596 166224525 /nfs/dbraw/zinc/22/45/25/166224525.db2.gz PXKMUNNPCVXVGE-UHFFFAOYSA-N 0 0 122.171 1.546 10 0 ADAERN C=Cc1ncc(CO)c(C=C)c1O 169324244 166224531 /nfs/dbraw/zinc/22/45/31/166224531.db2.gz IROBQONSXPWOTI-UHFFFAOYSA-N 0 0 177.203 1.566 10 0 ADAERN C=Cc1cccnc1CO 72231360 166224539 /nfs/dbraw/zinc/22/45/39/166224539.db2.gz AKOQXHJIUPSWAX-UHFFFAOYSA-N 0 0 135.166 1.217 10 0 ADAERN C=Cc1ccncc1[C@H](C)O 39051327 166224541 /nfs/dbraw/zinc/22/45/41/166224541.db2.gz FZBRZWLORRMBRL-ZETCQYMHSA-N 0 0 149.193 1.778 10 0 ADAERN C=Cc1nc(C)no1 38995447 166224553 /nfs/dbraw/zinc/22/45/53/166224553.db2.gz HNQMYOIJAWDJTH-UHFFFAOYSA-N 0 0 110.116 1.021 10 0 ADAERN C=Cc1ccnc(N)c1 33975124 166224564 /nfs/dbraw/zinc/22/45/64/166224564.db2.gz BAZWHTBQKJXGBY-UHFFFAOYSA-N 0 0 120.155 1.307 10 0 ADAERN C=Cc1ncc(CO)c(C)c1O 169324255 166224567 /nfs/dbraw/zinc/22/45/67/166224567.db2.gz XCXLHFHPQASJEO-UHFFFAOYSA-N 0 0 165.192 1.231 10 0 ADAERN C=Cc1cccnc1C(=O)OC 34514061 166224581 /nfs/dbraw/zinc/22/45/81/166224581.db2.gz ISFTTZZKJCHKIA-UHFFFAOYSA-N 0 0 163.176 1.511 10 0 ADAERN C=Cc1cnc(OC)nc1 39052579 166224587 /nfs/dbraw/zinc/22/45/87/166224587.db2.gz LIOOINKSXDJULD-UHFFFAOYSA-N 0 0 136.154 1.128 10 0 ADAERN C=Cc1nc(=O)[nH]n1-c1ccccc1 83276881 166224599 /nfs/dbraw/zinc/22/45/99/166224599.db2.gz QGZXPDSBZCWCEJ-UHFFFAOYSA-N 0 0 187.202 1.616 10 0 ADAERN C=Cc1nc2ccccc2n1OC 59280289 166224605 /nfs/dbraw/zinc/22/46/05/166224605.db2.gz ZZPIWJVXRQLWKC-UHFFFAOYSA-N 0 0 174.203 1.738 10 0 ADAERN C=Cn1ccc(Br)n1 90550503 166224615 /nfs/dbraw/zinc/22/46/15/166224615.db2.gz HNOIKVKBNKNJLS-UHFFFAOYSA-N 0 0 173.013 1.746 10 0 ADAERN C=Cc1ccns1 73657696 166224625 /nfs/dbraw/zinc/22/46/25/166224625.db2.gz PMRPXFFJDUIOLK-UHFFFAOYSA-N 0 0 111.169 1.786 10 0 ADAERN C=Cc1nnc([C@@H](N)C2CCCC2)o1 83341987 166224631 /nfs/dbraw/zinc/22/46/31/166224631.db2.gz OXRAEOUKVITWNP-VIFPVBQESA-N 0 0 193.250 1.903 10 0 ADAERN C=Cc1ncccc1NC 39050649 166224636 /nfs/dbraw/zinc/22/46/36/166224636.db2.gz XRMDOXZWVJQGNU-UHFFFAOYSA-N 0 0 134.182 1.766 10 0 ADAERN C=Cc1nc(C)c(CCO)s1 83339985 166224660 /nfs/dbraw/zinc/22/46/60/166224660.db2.gz YQZRXIHFTWCQTL-UHFFFAOYSA-N 0 0 169.249 1.629 10 0 ADAERN C=Cc1nccnc1OCC 33951349 166224664 /nfs/dbraw/zinc/22/46/64/166224664.db2.gz SHPUHGKVDFEHKJ-UHFFFAOYSA-N 0 0 150.181 1.518 10 0 ADAERN C=Cn1ccc2c1CCN(C(C)=O)C2 38234845 166224668 /nfs/dbraw/zinc/22/46/68/166224668.db2.gz DLUWRANJUGOMGJ-UHFFFAOYSA-N 0 0 190.246 1.493 10 0 ADAERN C=Cn1cccc1C(C)=O 39068692 166224676 /nfs/dbraw/zinc/22/46/76/166224676.db2.gz YNMUTAWRENOPEA-UHFFFAOYSA-N 0 0 135.166 1.791 10 0 ADAERN C=Cn1[nH]c(=O)c2ccccc21 5478549 166224682 /nfs/dbraw/zinc/22/46/82/166224682.db2.gz HQJLGLQWLFSJPL-UHFFFAOYSA-N 0 0 160.176 1.430 10 0 ADAERN C=Cc1ccnc(OC)c1 35569876 166224687 /nfs/dbraw/zinc/22/46/87/166224687.db2.gz VGJKSVULOADJLV-UHFFFAOYSA-N 0 0 135.166 1.733 10 0 ADAERN C=Cn1c(C(O)O)nc2ccccc21 45238617 166224719 /nfs/dbraw/zinc/22/47/19/166224719.db2.gz YAHFFHNQAJKSNH-UHFFFAOYSA-N 0 0 190.202 1.120 10 0 ADAERN C=Cc1[nH]nc2cccnc12 24739582 166224720 /nfs/dbraw/zinc/22/47/20/166224720.db2.gz SUTSMRPOXFUZDF-UHFFFAOYSA-N 0 0 145.165 1.601 10 0 ADAERN C=Cc1nnc(-c2cnc(N)s2)o1 83342080 166224732 /nfs/dbraw/zinc/22/47/32/166224732.db2.gz JUNQIJAJBGZTSJ-UHFFFAOYSA-N 0 0 194.219 1.418 10 0 ADAERN C=Cc1cnc2c(c1)CC(=O)N2 89221976 166224738 /nfs/dbraw/zinc/22/47/38/166224738.db2.gz CLANIYRJFFMRSF-UHFFFAOYSA-N 0 0 160.176 1.219 10 0 ADAERN C=Cc1nnc([C@@H](N)C(C)C)o1 83339868 166224751 /nfs/dbraw/zinc/22/47/51/166224751.db2.gz LPHALQYISAZWLR-ZETCQYMHSA-N 0 0 167.212 1.368 10 0 ADAERN C=Cn1ccc(C)n1 33604907 166224753 /nfs/dbraw/zinc/22/47/53/166224753.db2.gz HXPGEXSWCTYWSC-UHFFFAOYSA-N 0 0 108.144 1.292 10 0 ADAERN C=Cc1nccnc1CC 33951347 166224758 /nfs/dbraw/zinc/22/47/58/166224758.db2.gz VHDFVWCWSZQMPV-UHFFFAOYSA-N 0 0 134.182 1.682 10 0 ADAERN C=Cc1cnsn1 104682409 166224762 /nfs/dbraw/zinc/22/47/62/166224762.db2.gz PZJNMFYUWBZULM-UHFFFAOYSA-N 0 0 112.157 1.181 10 0 ADAERN C=Cc1cncc(O)c1 72230820 166224765 /nfs/dbraw/zinc/22/47/65/166224765.db2.gz FQVFRTZQUOOOSM-UHFFFAOYSA-N 0 0 121.139 1.430 10 0 ADAERN C=Cc1nc(C(=O)OCC)cs1 39123374 166224772 /nfs/dbraw/zinc/22/47/72/166224772.db2.gz AGXYOMCWUABRCZ-UHFFFAOYSA-N 0 0 183.232 1.963 10 0 ADAERN C=Cc1ccnc(OC)c1OC 35569874 166224797 /nfs/dbraw/zinc/22/47/97/166224797.db2.gz DOOFYVUKRHMZDM-UHFFFAOYSA-N 0 0 165.192 1.742 10 0 ADAERN C=Cc1nc(C)cc(C)n1 39052549 166224800 /nfs/dbraw/zinc/22/48/00/166224800.db2.gz GSSWBCKXMSQPIR-UHFFFAOYSA-N 0 0 134.182 1.736 10 0 ADAERN C=Cc1cnc(OC)cc1C=O 166955276 166224803 /nfs/dbraw/zinc/22/48/03/166224803.db2.gz DLEHPSLUAGRKKJ-UHFFFAOYSA-N 0 0 163.176 1.546 10 0 ADAERN C=Cc1cnc(C)nc1C 39052547 166224805 /nfs/dbraw/zinc/22/48/05/166224805.db2.gz HEVWQOHTGFGRNK-UHFFFAOYSA-N 0 0 134.182 1.736 10 0 ADAERN C=Cc1cnc(C)cc1CO 39061922 166224809 /nfs/dbraw/zinc/22/48/09/166224809.db2.gz MUKGOIHAVLKTGD-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN C=Cc1nnc([C@H](N)CC)o1 83339580 166224810 /nfs/dbraw/zinc/22/48/10/166224810.db2.gz WQKYZNXEXARRRZ-RXMQYKEDSA-N 0 0 153.185 1.122 10 0 ADAERN C=Cc1nc2cc(N)ccc2[nH]1 95923365 166224813 /nfs/dbraw/zinc/22/48/13/166224813.db2.gz WEADVISKMGQPQC-UHFFFAOYSA-N 0 0 159.192 1.788 10 0 ADAERN C=Cc1nc(-c2ccncc2)no1 70581045 166224816 /nfs/dbraw/zinc/22/48/16/166224816.db2.gz SMKPCHKXSDKQFK-UHFFFAOYSA-N 0 0 173.175 1.775 10 0 ADAERN C=Cc1cn2cccnc2n1 27231902 166224818 /nfs/dbraw/zinc/22/48/18/166224818.db2.gz QMEBXHPKPULURO-UHFFFAOYSA-N 0 0 145.165 1.372 10 0 ADAERN C=Cc1cncc2c1CCNC2=O 15253396 166224824 /nfs/dbraw/zinc/22/48/24/166224824.db2.gz VTKUGPIANISZIS-UHFFFAOYSA-N 0 0 174.203 1.011 10 0 ADAERN C=Cc1cnn(C)c1C 86553244 166224828 /nfs/dbraw/zinc/22/48/28/166224828.db2.gz XEAZNWIGZRYUIU-UHFFFAOYSA-N 0 0 122.171 1.372 10 0 ADAERN C=Cn1c(C=O)nc2ccccc21 34260027 166224837 /nfs/dbraw/zinc/22/48/37/166224837.db2.gz SCLNKUPWSQJGGI-UHFFFAOYSA-N 0 0 172.187 1.949 10 0 ADAERN C=Cc1cncnc1NC 39053430 166224864 /nfs/dbraw/zinc/22/48/64/166224864.db2.gz GMQIMEGATBHXHV-UHFFFAOYSA-N 0 0 135.170 1.161 10 0 ADAERN C=Cc1cnccc1OC 72231356 166224871 /nfs/dbraw/zinc/22/48/71/166224871.db2.gz YSVGXLDXDFGBOX-UHFFFAOYSA-N 0 0 135.166 1.733 10 0 ADAERN C=Cc1ccnn1C 39376018 166224880 /nfs/dbraw/zinc/22/48/80/166224880.db2.gz XRTVFRQEQZKBTI-UHFFFAOYSA-N 0 0 108.144 1.063 10 0 ADAERN C=Cc1cn(-c2ccccc2)nn1 72180256 166224893 /nfs/dbraw/zinc/22/48/93/166224893.db2.gz DZYAQDLVKHXWSA-UHFFFAOYSA-N 0 0 171.203 1.910 10 0 ADAERN C=Cc1nc(C)ccc1OC(C)=O 39089952 166224898 /nfs/dbraw/zinc/22/48/98/166224898.db2.gz ZFDDOBXUXASDIW-UHFFFAOYSA-N 0 0 177.203 1.958 10 0 ADAERN C=Cc1ncccc1CO 209848296 166224901 /nfs/dbraw/zinc/22/49/01/166224901.db2.gz NCILZRNXIQWKAY-UHFFFAOYSA-N 0 0 135.166 1.217 10 0 ADAERN C=Cc1ncccc1O 39050612 166224907 /nfs/dbraw/zinc/22/49/07/166224907.db2.gz ITSCKWZNZFARQC-UHFFFAOYSA-N 0 0 121.139 1.430 10 0 ADAERN C=Cc1nc2c(O)ccc(O)c2n1C 38434634 166224909 /nfs/dbraw/zinc/22/49/09/166224909.db2.gz ICDBMRIILLFXLX-UHFFFAOYSA-N 0 0 190.202 1.628 10 0 ADAERN C=Cc1nnc([C@H]2CCCCN2)o1 83340390 166224912 /nfs/dbraw/zinc/22/49/12/166224912.db2.gz XXTDEQNLZFZLNP-SSDOTTSWSA-N 0 0 179.223 1.527 10 0 ADAERN C=Cc1cccnc1C=O 72231169 166224921 /nfs/dbraw/zinc/22/49/21/166224921.db2.gz GVFNULKARJSJJQ-UHFFFAOYSA-N 0 0 133.150 1.537 10 0 ADAERN C=Cn1ccnc1C(=O)C(F)(F)F 75855122 166224924 /nfs/dbraw/zinc/22/49/24/166224924.db2.gz YSGBQGGTWCPFIH-UHFFFAOYSA-N 0 0 190.124 1.729 10 0 ADAERN C=Cn1ccc(C(=O)OCC)n1 39058552 166224929 /nfs/dbraw/zinc/22/49/29/166224929.db2.gz NRBXKAHROZDVMY-UHFFFAOYSA-N 0 0 166.180 1.160 10 0 ADAERN Cc1cc(C)c(C=O)cc1C 100209517 166225966 /nfs/dbraw/zinc/22/59/66/166225966.db2.gz XIZDXPMUNPGNLN-UXBLZVDNSA-N 0 0 148.205 1.010 10 0 ADAERN C=Cn1nc(C)c(C=O)c1C 39133742 166226029 /nfs/dbraw/zinc/22/60/29/166226029.db2.gz WWZASEJEJWVVDZ-UHFFFAOYSA-N 0 0 150.181 1.413 10 0 ADAERN Cc1cc(C)c(C=O)c(C)c1 100080784 166226081 /nfs/dbraw/zinc/22/60/81/166226081.db2.gz SFJXXNVXVYZTRK-UXBLZVDNSA-N 0 0 148.205 1.010 10 0 ADAERN C=Cn1nccc1C(=O)OCC 39058551 166226089 /nfs/dbraw/zinc/22/60/89/166226089.db2.gz FFVBZPJPNCDRIK-UHFFFAOYSA-N 0 0 166.180 1.160 10 0 ADAERN C=Cn1nccc1C 6072001 166226140 /nfs/dbraw/zinc/22/61/40/166226140.db2.gz VQSNZRKTZXIYLG-UHFFFAOYSA-N 0 0 108.144 1.292 10 0 ADAERN C=Cn1cncc1C(=O)C(F)(F)F 32620402 166226161 /nfs/dbraw/zinc/22/61/61/166226161.db2.gz BEGHDMVSKZOEBL-UHFFFAOYSA-N 0 0 190.124 1.729 10 0 ADAERN C=Cn1ccnc1C(C)=O 75844412 166226180 /nfs/dbraw/zinc/22/61/80/166226180.db2.gz YQUSYHVGCLIFTP-UHFFFAOYSA-N 0 0 136.154 1.186 10 0 ADAERN C=Cn1ncc2c1CCCC2 24758396 166226220 /nfs/dbraw/zinc/22/62/20/166226220.db2.gz KYASLQGQXRGFQD-UHFFFAOYSA-N 0 0 148.209 1.862 10 0 ADAERN C=Cn1cnc(C(=O)OCC)c1 39058550 166226288 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CC(=O)c1cccc([C@@H](C)O)c1 34741064 166326895 /nfs/dbraw/zinc/32/68/95/166326895.db2.gz YYRHKGUSBRUPHT-SSDOTTSWSA-N 0 0 164.204 1.943 10 0 ADAERN CC(=O)c1cccc2[nH]c(=NN)oc12 62520855 166326951 /nfs/dbraw/zinc/32/69/51/166326951.db2.gz FZKMHMPLALNFPV-UHFFFAOYSA-N 0 0 191.190 1.316 10 0 ADAERN CC(=O)c1cccc(N)c1N 39048490 166326996 /nfs/dbraw/zinc/32/69/96/166326996.db2.gz ZYDILTJZICMURJ-UHFFFAOYSA-N 0 0 150.181 1.054 10 0 ADAERN CC(=O)c1cccc2c1COCO2 82870128 166327018 /nfs/dbraw/zinc/32/70/18/166327018.db2.gz LKQRLQZTNSXJMM-UHFFFAOYSA-N 0 0 178.187 1.756 10 0 ADAERN CC(=O)c1cccc(C=CC(N)=O)c1 44262427 166327044 /nfs/dbraw/zinc/32/70/44/166327044.db2.gz PBZPFZKMXPKMDY-WAYWQWQTSA-N 0 0 189.214 1.388 10 0 ADAERN CC(=O)c1ccc2c(c1)nnn2C 82868447 166327066 /nfs/dbraw/zinc/32/70/66/166327066.db2.gz JYXIONPDURWERV-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN CC(=O)c1ccccc(C)c1=O 39071247 166327085 /nfs/dbraw/zinc/32/70/85/166327085.db2.gz BUVRJCJGJXPMBQ-UHFFFAOYSA-N 0 0 162.188 1.558 10 0 ADAERN CC(=O)c1ccc2c(c1O)C[C@H](C)O2 197222961 166327103 /nfs/dbraw/zinc/32/71/03/166327103.db2.gz QGFWWLQMXULLEX-LURJTMIESA-N 0 0 192.214 1.918 10 0 ADAERN CC(=O)c1ccc2cnccn12 39070954 166327113 /nfs/dbraw/zinc/32/71/13/166327113.db2.gz QYDJEOIVYPUICD-UHFFFAOYSA-N 0 0 160.176 1.537 10 0 ADAERN CC(=O)c1cccc2c1OCOC2 82870129 166327154 /nfs/dbraw/zinc/32/71/54/166327154.db2.gz BXQKEUQICPKLIH-UHFFFAOYSA-N 0 0 178.187 1.756 10 0 ADAERN CC(=O)c1cccc(NN)c1 3676531 166327216 /nfs/dbraw/zinc/32/72/16/166327216.db2.gz KQMSJLSQHJXVNG-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN CC(=O)c1cccc2c1OCCO2 82870119 166327316 /nfs/dbraw/zinc/32/73/16/166327316.db2.gz QMXNXMGUQSFTHC-UHFFFAOYSA-N 0 0 178.187 1.660 10 0 ADAERN CC(=O)c1cccc(=O)cc1 39069762 166327461 /nfs/dbraw/zinc/32/74/61/166327461.db2.gz LJNNEYMKSLZPRH-UHFFFAOYSA-N 0 0 148.161 1.249 10 0 ADAERN CC(=O)c1cccc2nc(C)cn12 89201601 166327483 /nfs/dbraw/zinc/32/74/83/166327483.db2.gz LQBCHDMNLVQFEY-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN CC(=O)c1ccc2c(c1O)C[C@@H](C)O2 197222950 166327489 /nfs/dbraw/zinc/32/74/89/166327489.db2.gz QGFWWLQMXULLEX-ZCFIWIBFSA-N 0 0 192.214 1.918 10 0 ADAERN CC(=O)c1cccc2c1CC2 39069744 166327503 /nfs/dbraw/zinc/32/75/03/166327503.db2.gz WJUHGJXFHBEXSC-UHFFFAOYSA-N 0 0 146.189 1.988 10 0 ADAERN CC(=O)c1cccc(NCO)c1 39071677 166327553 /nfs/dbraw/zinc/32/75/53/166327553.db2.gz SUWZMRAISZRUBW-UHFFFAOYSA-N 0 0 165.192 1.251 10 0 ADAERN CC(=O)c1ccc2n1CCC2=O 39071414 166327571 /nfs/dbraw/zinc/32/75/71/166327571.db2.gz KAVXIFPXMXGPLI-UHFFFAOYSA-N 0 0 163.176 1.277 10 0 ADAERN CC(=O)c1cccc2c1COCC2 82868869 166327602 /nfs/dbraw/zinc/32/76/02/166327602.db2.gz KIKJSZYMUZFRPN-UHFFFAOYSA-N 0 0 176.215 1.962 10 0 ADAERN CC(=O)c1cccc2c1nnn2C 107334052 166327702 /nfs/dbraw/zinc/32/77/02/166327702.db2.gz WRLOVXBWNCTZAY-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN CC(=O)c1cccc2c1OCC(=O)N2 62520832 166327706 /nfs/dbraw/zinc/32/77/06/166327706.db2.gz DCNCUMXYUOEPOJ-UHFFFAOYSA-N 0 0 191.186 1.220 10 0 ADAERN CC(=O)c1cccc(-c2nnco2)c1 40350817 166327767 /nfs/dbraw/zinc/32/77/67/166327767.db2.gz NLAQTOVKLUWEDJ-UHFFFAOYSA-N 0 0 188.186 1.939 10 0 ADAERN CC(=O)c1cccc2c1COC2 82850407 166327834 /nfs/dbraw/zinc/32/78/34/166327834.db2.gz PAIBTUYXNKCWPA-UHFFFAOYSA-N 0 0 162.188 1.919 10 0 ADAERN CC(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2 38811885 166327909 /nfs/dbraw/zinc/32/79/09/166327909.db2.gz TWOSZRJXOWVYCT-ZCFIWIBFSA-N 0 0 189.214 1.945 10 0 ADAERN CC(=O)c1cccc2c1NCCN2 196653469 166327925 /nfs/dbraw/zinc/32/79/25/166327925.db2.gz HODBSHAGNXQIOG-UHFFFAOYSA-N 0 0 176.219 1.727 10 0 ADAERN CC(=O)c1cccc2nnsc12 329989 166327928 /nfs/dbraw/zinc/32/79/28/166327928.db2.gz GIBHMNPRELDLPC-UHFFFAOYSA-N 0 0 178.216 1.894 10 0 ADAERN CC(=O)c1cccc2nn(C)nc12 299889788 166327974 /nfs/dbraw/zinc/32/79/74/166327974.db2.gz OSDYJYLZSXLLLH-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN CC(=O)c1cccc2c1oc(=O)n2C 62520836 166327989 /nfs/dbraw/zinc/32/79/89/166327989.db2.gz PWDBYKFFODNBHD-UHFFFAOYSA-N 0 0 191.186 1.334 10 0 ADAERN CC(=O)c1cccc(NC[C@H](C)O)c1 32008682 166328019 /nfs/dbraw/zinc/32/80/19/166328019.db2.gz JUJZQNOCVMHXIV-QMMMGPOBSA-N 0 0 193.246 1.682 10 0 ADAERN CC(=O)c1ccc2c(c1)oc(=O)n2C 2002980 166328023 /nfs/dbraw/zinc/32/80/23/166328023.db2.gz SZALAYSSIMHXRU-UHFFFAOYSA-N 0 0 191.186 1.334 10 0 ADAERN CC(=O)c1ccc2snnc2c1 82870378 166328060 /nfs/dbraw/zinc/32/80/60/166328060.db2.gz WOOOLJHWPKLYQA-UHFFFAOYSA-N 0 0 178.216 1.894 10 0 ADAERN CC(=O)c1ccc2ccc(N)cn12 82399481 166328085 /nfs/dbraw/zinc/32/80/85/166328085.db2.gz SWJBIRGHQFQTPU-UHFFFAOYSA-N 0 0 174.203 1.724 10 0 ADAERN CC(=O)c1cccc(C(N)=S)c1 83340419 166328118 /nfs/dbraw/zinc/32/81/18/166328118.db2.gz PPKJXQUAPNLEDC-UHFFFAOYSA-N 0 0 179.244 1.523 10 0 ADAERN CC(=O)c1cccc(O)c1CO 39071874 166328128 /nfs/dbraw/zinc/32/81/28/166328128.db2.gz ADMKTAYMNAFZAW-UHFFFAOYSA-N 0 0 166.176 1.087 10 0 ADAERN CC(=O)c1cccc(C(C)=O)c1N 5481285 166328199 /nfs/dbraw/zinc/32/81/99/166328199.db2.gz NZUYMIPWWKPSEU-UHFFFAOYSA-N 0 0 177.203 1.674 10 0 ADAERN CC(=O)c1cccc([C@H](C)O)c1 34741063 166328239 /nfs/dbraw/zinc/32/82/39/166328239.db2.gz YYRHKGUSBRUPHT-ZETCQYMHSA-N 0 0 164.204 1.943 10 0 ADAERN CC(=O)c1cccc2[nH]c(=O)oc12 62519530 166328421 /nfs/dbraw/zinc/32/84/21/166328421.db2.gz MMYYTTOSXBQKFF-UHFFFAOYSA-N 0 0 177.159 1.324 10 0 ADAERN CC(=O)c1ccc2c(c1)OCOC2 82870127 166328436 /nfs/dbraw/zinc/32/84/36/166328436.db2.gz FSYJFGJMFMRLLD-UHFFFAOYSA-N 0 0 178.187 1.756 10 0 ADAERN CC(=O)c1ccc2n1CC=C2 39069759 166328494 /nfs/dbraw/zinc/32/84/94/166328494.db2.gz AYAJDXCQYOKKHB-UHFFFAOYSA-N 0 0 147.177 1.718 10 0 ADAERN CC(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 105699007 166328524 /nfs/dbraw/zinc/32/85/24/166328524.db2.gz TWOSZRJXOWVYCT-LURJTMIESA-N 0 0 189.214 1.945 10 0 ADAERN CC(=O)c1ccc2c(n1)OCC2 39071375 166328552 /nfs/dbraw/zinc/32/85/52/166328552.db2.gz WIZJLAHMEFTSGL-UHFFFAOYSA-N 0 0 163.176 1.219 10 0 ADAERN CC(=O)c1ccc2n1CCC2 32164300 166328554 /nfs/dbraw/zinc/32/85/54/166328554.db2.gz NWSCEJHRUVCUSX-UHFFFAOYSA-N 0 0 149.193 1.637 10 0 endogenous,in-man ADAERN CC(=O)c1ccc2oc(=O)n(C)c2c1 34492581 166328610 /nfs/dbraw/zinc/32/86/10/166328610.db2.gz AKWVZZHKNYYTTJ-UHFFFAOYSA-N 0 0 191.186 1.334 10 0 ADAERN CC(=O)c1cccc(C(C)=O)c1O 12648466 166328627 /nfs/dbraw/zinc/32/86/27/166328627.db2.gz XGDPKNPKFQJUFN-UHFFFAOYSA-N 0 0 178.187 1.797 10 0 ADAERN CC(=O)c1cccc(NC[C@@H](C)O)c1 32008680 166328666 /nfs/dbraw/zinc/32/86/66/166328666.db2.gz JUJZQNOCVMHXIV-MRVPVSSYSA-N 0 0 193.246 1.682 10 0 ADAERN CC(=O)c1ccc2n1CCO2 39069600 166328688 /nfs/dbraw/zinc/32/86/88/166328688.db2.gz WCVZQWIUSUQIQA-UHFFFAOYSA-N 0 0 151.165 1.083 10 0 ADAERN CC(=O)c1cnc(N)c(C(C)=O)c1 95773501 166329289 /nfs/dbraw/zinc/32/92/89/166329289.db2.gz UVDPOCWVUAYKKT-UHFFFAOYSA-N 0 0 178.191 1.069 10 0 ADAERN CC(=O)c1ccnc(C(C)=O)c1N 32220823 166329356 /nfs/dbraw/zinc/32/93/56/166329356.db2.gz WQDSTAOVQRHVQV-UHFFFAOYSA-N 0 0 178.191 1.069 10 0 ADAERN CC(=O)c1ccccc1-n1nccn1 82879423 166329365 /nfs/dbraw/zinc/32/93/65/166329365.db2.gz JXCWVJZNMKYRSQ-UHFFFAOYSA-N 0 0 187.202 1.470 10 0 ADAERN CC(=O)c1cn(C)cc1C 82410790 166329387 /nfs/dbraw/zinc/32/93/87/166329387.db2.gz NDDKYDXNSBLCFA-UHFFFAOYSA-N 0 0 137.182 1.536 10 0 ADAERN CC(=O)c1cnc(C(C)(C)C)cn1 32202763 166329393 /nfs/dbraw/zinc/32/93/93/166329393.db2.gz SSCWQDPLJFLBQI-UHFFFAOYSA-N 0 0 178.235 1.977 10 0 ADAERN CC(=O)c1ccnc([C@@H](C)O)c1 39071734 166329400 /nfs/dbraw/zinc/32/94/00/166329400.db2.gz FJUXGFXRAZZUIL-SSDOTTSWSA-N 0 0 165.192 1.338 10 0 ADAERN CC(=O)C1=CCOC1=O 34412643 166329421 /nfs/dbraw/zinc/32/94/21/166329421.db2.gz VDNHFNJDOMSGRN-UHFFFAOYSA-N 0 0 126.111 1.188 10 0 ADAERN CC(=O)c1cnc(N)c(Cl)c1 34284647 166329427 /nfs/dbraw/zinc/32/94/27/166329427.db2.gz YQMOPPLOWPRYKU-UHFFFAOYSA-N 0 0 170.599 1.520 10 0 ADAERN CC(=O)c1ccncc1C(C)=O 39071468 166329431 /nfs/dbraw/zinc/32/94/31/166329431.db2.gz YCKJEKCAHWUHND-UHFFFAOYSA-N 0 0 163.176 1.487 10 0 ADAERN CC(=O)c1ccnc(C(C)(C)C)n1 95764122 166329456 /nfs/dbraw/zinc/32/94/56/166329456.db2.gz LINTWMHKPIXUOW-UHFFFAOYSA-N 0 0 178.235 1.977 10 0 ADAERN CC(=O)c1ccccc1C=CC(N)=O 44262432 166329529 /nfs/dbraw/zinc/32/95/29/166329529.db2.gz GRCKISXQSZQEII-VOTSOKGWSA-N 0 0 189.214 1.388 10 0 ADAERN CC(=O)c1ccnc([C@H](C)O)c1 39071732 166329608 /nfs/dbraw/zinc/32/96/08/166329608.db2.gz FJUXGFXRAZZUIL-ZETCQYMHSA-N 0 0 165.192 1.338 10 0 ADAERN CC(=O)c1cnc(C)n1C1CC1 34883960 166329611 /nfs/dbraw/zinc/32/96/11/166329611.db2.gz RPFRSUWDBSVYSI-UHFFFAOYSA-N 0 0 164.208 1.729 10 0 ADAERN CC(=O)c1cccn2nccc12 39071026 166329697 /nfs/dbraw/zinc/32/96/97/166329697.db2.gz QPSJCYMEQLWUPM-UHFFFAOYSA-N 0 0 160.176 1.537 10 0 ADAERN CC(=O)c1ccn(C)c1C 39068809 166329746 /nfs/dbraw/zinc/32/97/46/166329746.db2.gz XROKFQCVNYXMBJ-UHFFFAOYSA-N 0 0 137.182 1.536 10 0 ADAERN CC(=O)c1cnc(C)c(O)c1C 39071679 166329750 /nfs/dbraw/zinc/32/97/50/166329750.db2.gz XMLVZXCACSIALP-UHFFFAOYSA-N 0 0 165.192 1.607 10 0 ADAERN CC(=O)c1cn2ccnc2o1 82840290 166329759 /nfs/dbraw/zinc/32/97/59/166329759.db2.gz BSYWPFKHPYACBS-UHFFFAOYSA-N 0 0 150.137 1.130 10 0 ADAERN CC(=O)c1c[nH]c(-c2ccccn2)n1 75393278 166329803 /nfs/dbraw/zinc/32/98/03/166329803.db2.gz FHADVOJFFFXUPT-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN CC(=O)c1cn2ccc(C)cc2n1 82868232 166329863 /nfs/dbraw/zinc/32/98/63/166329863.db2.gz DHLBXBYHQOGSDZ-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN CC(=O)c1ccccc1N(C)CCO 37855502 166329919 /nfs/dbraw/zinc/32/99/19/166329919.db2.gz CGPSHNNLTSBTJE-UHFFFAOYSA-N 0 0 193.246 1.318 10 0 ADAERN CC(=O)c1ccn2c1CCC2 39069610 166329940 /nfs/dbraw/zinc/32/99/40/166329940.db2.gz WRBLXOFYTXAKGQ-UHFFFAOYSA-N 0 0 149.193 1.637 10 0 ADAERN CC(=O)c1ccn2c1SCC2 34265362 166329945 /nfs/dbraw/zinc/32/99/45/166329945.db2.gz IVPRKASFADFJOU-UHFFFAOYSA-N 0 0 167.233 1.796 10 0 ADAERN CC(=O)c1ccccc1OC#N 39071167 166330082 /nfs/dbraw/zinc/33/00/82/166330082.db2.gz MSWSOVMHQQAFJG-UHFFFAOYSA-N 0 0 161.160 1.749 10 0 ADAERN CC(=O)c1c[nH]c(-c2cccnc2)n1 41203744 166330113 /nfs/dbraw/zinc/33/01/13/166330113.db2.gz QELQRQADPHJFSJ-UHFFFAOYSA-N 0 0 187.202 1.674 10 0 ADAERN 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/nfs/dbraw/zinc/44/91/74/166449174.db2.gz LJKAJAACVMAUOP-SECBINFHSA-N 0 0 173.256 1.615 10 0 ADAERN CC(C)CCO[C@H]1COCC[C@@H]1O 44218058 166449643 /nfs/dbraw/zinc/44/96/43/166449643.db2.gz MTAKGRKZWSOFNO-UWVGGRQHSA-N 0 0 188.267 1.199 10 0 ADAERN CC(C)CCO[C@H]1COCC[C@H]1O 44218066 166450709 /nfs/dbraw/zinc/45/07/09/166450709.db2.gz MTAKGRKZWSOFNO-ZJUUUORDSA-N 0 0 188.267 1.199 10 0 ADAERN CC(C)CC[C@@H]([NH2+]C(C)C)C(=O)[O-] 77273808 166450758 /nfs/dbraw/zinc/45/07/58/166450758.db2.gz PVCFPHVTWHCLRU-SECBINFHSA-N 0 0 187.283 1.874 10 0 ADAERN CC(C)CCc1noc(N)n1 52708827 166451814 /nfs/dbraw/zinc/45/18/14/166451814.db2.gz OSTLLTNABKWHNI-UHFFFAOYSA-N 0 0 155.201 1.240 10 0 ADAERN CC(C)CCc1cc(N)no1 39112922 166452578 /nfs/dbraw/zinc/45/25/78/166452578.db2.gz VJGRGIAHYRPSRL-UHFFFAOYSA-N 0 0 154.213 1.845 10 0 ADAERN CC(C)CC[C@](C)([NH3+])CC(=O)[O-] 77265340 166453060 /nfs/dbraw/zinc/45/30/60/166453060.db2.gz LJKAJAACVMAUOP-VIFPVBQESA-N 0 0 173.256 1.615 10 0 ADAERN CC(C)CN(C)C(=O)N[C@@H]1C[C@H]1C 335702643 166455318 /nfs/dbraw/zinc/45/53/18/166455318.db2.gz KIHWXGAOZCSBTH-RKDXNWHRSA-N 0 0 184.283 1.692 10 0 ADAERN CC(C)CN(C)C(=O)N[C@@H]1CC12CC2 335140130 166455971 /nfs/dbraw/zinc/45/59/71/166455971.db2.gz DHTNWVPKFXHFTQ-SECBINFHSA-N 0 0 196.294 1.836 10 0 ADAERN CC(C)CN(C(N)=S)C(C)C 42588296 166456056 /nfs/dbraw/zinc/45/60/56/166456056.db2.gz GMENYLZPNCIERI-UHFFFAOYSA-N 0 0 174.313 1.596 10 0 ADAERN CC(C)CN(C)C(=O)N[C@@H]1C[C@@H]1C 335702641 166456133 /nfs/dbraw/zinc/45/61/33/166456133.db2.gz KIHWXGAOZCSBTH-DTWKUNHWSA-N 0 0 184.283 1.692 10 0 ADAERN CC(C)CN(C)C(=O)N[C@H]1C[C@H]1C 335702640 166456406 /nfs/dbraw/zinc/45/64/06/166456406.db2.gz KIHWXGAOZCSBTH-BDAKNGLRSA-N 0 0 184.283 1.692 10 0 ADAERN CC(C)CCn1nc(N)cc1N 42439762 166456464 /nfs/dbraw/zinc/45/64/64/166456464.db2.gz POKPIDCHMWDUNX-UHFFFAOYSA-N 0 0 168.244 1.094 10 0 ADAERN CC(C)CN1C(=O)[C@@H]2C=C[C@@H]21 39080254 166459053 /nfs/dbraw/zinc/45/90/53/166459053.db2.gz 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/nfs/dbraw/zinc/46/91/08/166469108.db2.gz ARCOQURDILJWAY-UHFFFAOYSA-N 0 0 182.223 1.248 10 0 ADAERN CC(C)CNC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 335511913 166469189 /nfs/dbraw/zinc/46/91/89/166469189.db2.gz OUFWKAIICZHJGH-ILWJIGKKSA-N 0 0 196.294 1.740 10 0 ADAERN CC(C)CNC(=O)N[C@H]1CC[C@@H]1C 307678046 166469201 /nfs/dbraw/zinc/46/92/01/166469201.db2.gz JXUXVRXIWGASPK-IUCAKERBSA-N 0 0 184.283 1.740 10 0 ADAERN CC(C)CNC(=O)[C@H]1CC12CC2 335530576 166470034 /nfs/dbraw/zinc/47/00/34/166470034.db2.gz JNWASOWXWDZUFP-MRVPVSSYSA-N 0 0 167.252 1.559 10 0 ADAERN CC(C)C[NH2+][C@@](C)(C(=O)[O-])C(C)C 52883880 166473150 /nfs/dbraw/zinc/47/31/50/166473150.db2.gz RZRAVATWUNDVKL-SNVBAGLBSA-N 0 0 187.283 1.731 10 0 ADAERN CC(C)C[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1 70603159 166473913 /nfs/dbraw/zinc/47/39/13/166473913.db2.gz KYVKXUZDAXSEFS-VHSXEESVSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)CNc1n[nH]c2c1COCC2 62669555 166474001 /nfs/dbraw/zinc/47/40/01/166474001.db2.gz RDHWVKILULXGQO-UHFFFAOYSA-N 0 0 195.266 1.550 10 0 ADAERN CC(C)C[NH2+][C@H]1CCC[C@H](C(=O)[O-])C1 70603161 166474607 /nfs/dbraw/zinc/47/46/07/166474607.db2.gz KYVKXUZDAXSEFS-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)C[NH2+][C@@H]1CCC[C@@H](C(=O)[O-])C1 70603162 166474709 /nfs/dbraw/zinc/47/47/09/166474709.db2.gz KYVKXUZDAXSEFS-NXEZZACHSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)C[NH2+][C@](C)(C(=O)[O-])C(C)C 52883879 166474912 /nfs/dbraw/zinc/47/49/12/166474912.db2.gz RZRAVATWUNDVKL-JTQLQIEISA-N 0 0 187.283 1.731 10 0 ADAERN CC(C)CNc1n[nH]c2c1CCC2 62669537 166474959 /nfs/dbraw/zinc/47/49/59/166474959.db2.gz NFHQDTBLRIIDFE-UHFFFAOYSA-N 0 0 179.267 1.966 10 0 ADAERN CC(C)C[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1 70603164 166475060 /nfs/dbraw/zinc/47/50/60/166475060.db2.gz KYVKXUZDAXSEFS-ZJUUUORDSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)COC(=O)Nc1cn[nH]c1 35764550 166475783 /nfs/dbraw/zinc/47/57/83/166475783.db2.gz JYXALWSAUOBSCH-UHFFFAOYSA-N 0 0 183.211 1.614 10 0 ADAERN CC(C)CNc1ncco1 8699324 166476136 /nfs/dbraw/zinc/47/61/36/166476136.db2.gz KZHNATSOCMOYMQ-UHFFFAOYSA-N 0 0 140.186 1.743 10 0 ADAERN CC(C)CNc1cccnn1 52815831 166476173 /nfs/dbraw/zinc/47/61/73/166476173.db2.gz KTFDUDXMLAYFGL-UHFFFAOYSA-N 0 0 151.213 1.545 10 0 ADAERN CC(C)COCCC(N)=S 19472347 166476296 /nfs/dbraw/zinc/47/62/96/166476296.db2.gz QHGZYUNNQYOBNO-UHFFFAOYSA-N 0 0 161.270 1.335 10 0 ADAERN CC(C)COC(=O)[C@H](N)CC(C)C 34140495 166476620 /nfs/dbraw/zinc/47/66/20/166476620.db2.gz MNWYEJOLGOALMX-SECBINFHSA-N 0 0 187.283 1.559 10 0 ADAERN CC(C)CNc1cn[nH]c1 35764014 166477089 /nfs/dbraw/zinc/47/70/89/166477089.db2.gz XLGATRJLCXPJKK-UHFFFAOYSA-N 0 0 139.202 1.478 10 0 ADAERN CC(C)COC(=O)NCc1cn[nH]c1 38007041 166477121 /nfs/dbraw/zinc/47/71/21/166477121.db2.gz CNLYPQBRVPJOOS-UHFFFAOYSA-N 0 0 197.238 1.292 10 0 ADAERN CC(C)CNc1ncncc1CO 20384641 166477167 /nfs/dbraw/zinc/47/71/67/166477167.db2.gz INXRAWWBKHWFKA-UHFFFAOYSA-N 0 0 181.239 1.037 10 0 ADAERN CC(C)CNc1ccc(NN)cn1 36221225 166477342 /nfs/dbraw/zinc/47/73/42/166477342.db2.gz NORNLFRJENPSPE-UHFFFAOYSA-N 0 0 180.255 1.435 10 0 ADAERN CC(C)COC(=O)Nc1ncccn1 82258261 166477448 /nfs/dbraw/zinc/47/74/48/166477448.db2.gz UAJVYAFJEQQIMV-UHFFFAOYSA-N 0 0 195.222 1.681 10 0 ADAERN CC(C)COC(=O)[C@@H]1CCCCN1 48634750 166477501 /nfs/dbraw/zinc/47/75/01/166477501.db2.gz TWJFDJGUHHOFRU-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)CNc1ncccc1C(N)=O 21008429 166477548 /nfs/dbraw/zinc/47/75/48/166477548.db2.gz MEWCXSIXKRGUNQ-UHFFFAOYSA-N 0 0 193.250 1.248 10 0 ADAERN CC(C)CO[C@H]1CCCC[C@@H]1O 33637728 166477992 /nfs/dbraw/zinc/47/79/92/166477992.db2.gz QYNMQOJKJIUWRX-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)COC[C@H](C)OC[C@H](C)O 33506164 166478333 /nfs/dbraw/zinc/47/83/33/166478333.db2.gz IRMJKQPPTUZTNE-UWVGGRQHSA-N 0 0 190.283 1.445 10 0 ADAERN CC(C)CO[C@@H]1CCCC[C@@H]1O 33637726 166478381 /nfs/dbraw/zinc/47/83/81/166478381.db2.gz QYNMQOJKJIUWRX-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)CO[C@H](C)[C@@H](C)O 44219486 166478414 /nfs/dbraw/zinc/47/84/14/166478414.db2.gz MYMHFZQBBJNQFP-HTQZYQBOSA-N 0 0 146.230 1.428 10 0 ADAERN CC(C)COC[C@@H](C)OC[C@H](C)O 33506163 166478483 /nfs/dbraw/zinc/47/84/83/166478483.db2.gz IRMJKQPPTUZTNE-VHSXEESVSA-N 0 0 190.283 1.445 10 0 ADAERN CC(C)CO[C@@H](C)C(N)=S 43514999 166479372 /nfs/dbraw/zinc/47/93/72/166479372.db2.gz RMHWPPAPLLYJDG-LURJTMIESA-N 0 0 161.270 1.334 10 0 ADAERN CC(C)CO[C@H]1CCC[C@H]1O 44219974 166479438 /nfs/dbraw/zinc/47/94/38/166479438.db2.gz JMZXHJIZWPFGTN-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)COc1ncccc1CO 40883189 166479522 /nfs/dbraw/zinc/47/95/22/166479522.db2.gz MGFLKGGDADJTSN-UHFFFAOYSA-N 0 0 181.235 1.609 10 0 ADAERN CC(C)COC[C@@H](C)OC[C@@H](C)O 33506161 166479569 /nfs/dbraw/zinc/47/95/69/166479569.db2.gz IRMJKQPPTUZTNE-NXEZZACHSA-N 0 0 190.283 1.445 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N1CC(C)(O)C1 335370017 166480394 /nfs/dbraw/zinc/48/03/94/166480394.db2.gz XWWRTUGNDUSNQW-SECBINFHSA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)COc1noc2c1CNCC2 25964170 166480828 /nfs/dbraw/zinc/48/08/28/166480828.db2.gz MGVMWYVQRFMITC-UHFFFAOYSA-N 0 0 196.250 1.355 10 0 ADAERN CC(C)CS[C@@H]1CCCNC1=O 307748777 166481159 /nfs/dbraw/zinc/48/11/59/166481159.db2.gz DCDVQLIQHVGGKL-MRVPVSSYSA-N 0 0 187.308 1.654 10 0 ADAERN CC(C)C[C@@H](C)N(C)C(N)=S 42588281 166481350 /nfs/dbraw/zinc/48/13/50/166481350.db2.gz XTRQIECELPMWTH-SSDOTTSWSA-N 0 0 174.313 1.596 10 0 ADAERN CC(C)CSc1ncc(N)cn1 40456243 166481668 /nfs/dbraw/zinc/48/16/68/166481668.db2.gz BWAXFHOVZKRWGP-UHFFFAOYSA-N 0 0 183.280 1.807 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N1CCOCC1 334604926 166481774 /nfs/dbraw/zinc/48/17/74/166481774.db2.gz KTCFDKKJUVSRLJ-SNVBAGLBSA-N 0 0 199.294 1.527 10 0 ADAERN CC(C)CS[C@@H]1CCNC1=O 306437430 166482105 /nfs/dbraw/zinc/48/21/05/166482105.db2.gz FQQYDPQWSGHKCP-SSDOTTSWSA-N 0 0 173.281 1.264 10 0 ADAERN CC(C)C[C@@H](C)N1CCNC1=O 169080085 166484380 /nfs/dbraw/zinc/48/43/80/166484380.db2.gz YLYCGFZCRAOATC-MRVPVSSYSA-N 0 0 170.256 1.446 10 0 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334578342 166645679 /nfs/dbraw/zinc/64/56/79/166645679.db2.gz HSHMNYORICEBOT-UHFFFAOYSA-N 0 0 185.252 1.757 10 0 ADAERN CC(C)c1nn2cc(N)nc2s1 82529741 166646229 /nfs/dbraw/zinc/64/62/29/166646229.db2.gz PGGOROZSIBZKOT-UHFFFAOYSA-N 0 0 182.252 1.496 10 0 ADAERN CC(C)c1ncnc2[nH]cnc12 39103804 166646426 /nfs/dbraw/zinc/64/64/26/166646426.db2.gz AOJZJRXHVYRKDH-UHFFFAOYSA-N 0 0 162.196 1.476 10 0 ADAERN CC(C)n1c(C=O)nc2cccnc21 76080906 166647707 /nfs/dbraw/zinc/64/77/07/166647707.db2.gz IIRBBXPDBLPEDQ-UHFFFAOYSA-N 0 0 189.218 1.825 10 0 ADAERN CC(C)n1c(=O)[nH]c2cc(O)ccc21 75946281 166648863 /nfs/dbraw/zinc/64/88/63/166648863.db2.gz YXZRYZUQNLULRI-UHFFFAOYSA-N 0 0 192.218 1.616 10 0 ADAERN CC(C)c1noc(-c2c[nH]nc2N)n1 35279370 166648970 /nfs/dbraw/zinc/64/89/70/166648970.db2.gz TWSYSUTVUNFSFN-UHFFFAOYSA-N 0 0 193.210 1.165 10 0 ADAERN CC(C)n1ccnc1[C@@H](C)O 75853023 166649946 /nfs/dbraw/zinc/64/99/46/166649946.db2.gz BEIWJNZSMYPYGY-SSDOTTSWSA-N 0 0 154.213 1.517 10 0 ADAERN 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157.213 1.002 10 0 ADAERN CC/C=C\CC1OCCO1 5369451 166661463 /nfs/dbraw/zinc/66/14/63/166661463.db2.gz WEYCWJPDPUYGAV-ARJAWSKDSA-N 0 0 142.198 1.716 10 0 ADAERN CC1(C(=O)N[C@H]2CCOC2(C)C)CC1 335185972 166662357 /nfs/dbraw/zinc/66/23/57/166662357.db2.gz WUSRMVVDHJAKBA-QMMMGPOBSA-N 0 0 197.278 1.470 10 0 ADAERN CC1(C(=O)N2CCCO2)CCC1 307202271 166662654 /nfs/dbraw/zinc/66/26/54/166662654.db2.gz FQIPZZSMAKHGPJ-UHFFFAOYSA-N 0 0 169.224 1.341 10 0 ADAERN CC1(C(=O)N[C@H]2CC23CC3)CC1 335115935 166662713 /nfs/dbraw/zinc/66/27/13/166662713.db2.gz NTBQACWXNFSLTO-ZETCQYMHSA-N 0 0 165.236 1.455 10 0 ADAERN CC1(C(=O)NC[C@@H]2CCC[C@@H]2O)CC1 306210997 166662747 /nfs/dbraw/zinc/66/27/47/166662747.db2.gz UIPINEHQUAQJPP-IUCAKERBSA-N 0 0 197.278 1.064 10 0 ADAERN CC1(C(=O)N2C[C@@H]3CCC[C@H]32)CC1 306284104 166662897 /nfs/dbraw/zinc/66/28/97/166662897.db2.gz JJKKUFIOSCCTLQ-DTWKUNHWSA-N 0 0 179.263 1.797 10 0 ADAERN CC1(C(=O)N[C@@H]2C[C@H]2C2CC2)CC1 306554234 166663065 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CCCCCC[S@@](C)=O 28002243 166859378 /nfs/dbraw/zinc/85/93/78/166859378.db2.gz QXHDZSXNJUJQAY-VIFPVBQESA-N 0 0 148.271 1.945 10 0 ADAERN CCCCCN(C)C(N)=O 37171619 166859884 /nfs/dbraw/zinc/85/98/84/166859884.db2.gz WZRANIYLEKBEQC-UHFFFAOYSA-N 0 0 144.218 1.187 10 0 ADAERN CCCCCCc1nnc(N)o1 86863988 166860390 /nfs/dbraw/zinc/86/03/90/166860390.db2.gz FYTIQWNHQMUUKS-UHFFFAOYSA-N 0 0 169.228 1.775 10 0 ADAERN CCCCCC[S@](=O)CC(C)=O 13492595 166860842 /nfs/dbraw/zinc/86/08/42/166860842.db2.gz OKACDMGXKXIISV-GFCCVEGCSA-N 0 0 190.308 1.904 10 0 ADAERN O=C1NCC[C@H]1C1CCCC1 133826947 343927591 /nfs/dbraw/zinc/92/75/91/343927591.db2.gz OVXOIOBFYKEDPK-QMMMGPOBSA-N 0 0 153.225 1.313 10 0 ADAERN CCCCCNC(=O)[C@H]1CCCC1=O 101450071 166862232 /nfs/dbraw/zinc/86/22/32/166862232.db2.gz ULLKRVXXOUUYEE-VIFPVBQESA-N 0 0 197.278 1.662 10 0 ADAERN CCCCCN1CCC(=O)C1 37239878 166862771 /nfs/dbraw/zinc/86/27/71/166862771.db2.gz YMNXMUCIYCOWBY-UHFFFAOYSA-N 0 0 155.241 1.451 10 0 ADAERN CCCCCNC(=O)NC 33876149 166862990 /nfs/dbraw/zinc/86/29/90/166862990.db2.gz GMALRFFLCMWBEZ-UHFFFAOYSA-N 0 0 144.218 1.106 10 0 ADAERN CCCCCN1CCC1=O 39205449 166863621 /nfs/dbraw/zinc/86/36/21/166863621.db2.gz QCCNMOHDURYAJW-UHFFFAOYSA-N 0 0 141.214 1.409 10 0 ADAERN CCCCCNC(=O)CF 34060445 166864641 /nfs/dbraw/zinc/86/46/41/166864641.db2.gz JQMSLBHIYRQHTG-UHFFFAOYSA-N 0 0 147.193 1.262 10 0 ADAERN O=C1NCC[C@H]1CC1CCCC1 133827370 343927665 /nfs/dbraw/zinc/92/76/65/343927665.db2.gz OFDRZVNGAYDDQC-VIFPVBQESA-N 0 0 167.252 1.703 10 0 ADAERN CCCCCOCC[C@H](C)O 44235606 166867598 /nfs/dbraw/zinc/86/75/98/166867598.db2.gz GFASJFDHINSLSI-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN CCCCCOCCn1cc(N)cn1 50615183 166868361 /nfs/dbraw/zinc/86/83/61/166868361.db2.gz GJJDJMKVULIKKR-UHFFFAOYSA-N 0 0 197.282 1.672 10 0 ADAERN CCCCCOCC[C@@H](C)O 44235602 166869627 /nfs/dbraw/zinc/86/96/27/166869627.db2.gz GFASJFDHINSLSI-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN O=C1NCC[C@@H]1CC1CCCC1 133827602 343927689 /nfs/dbraw/zinc/92/76/89/343927689.db2.gz OFDRZVNGAYDDQC-SECBINFHSA-N 0 0 167.252 1.703 10 0 ADAERN CCCCC[C@@H](C)NC(N)=S 42571904 166870234 /nfs/dbraw/zinc/87/02/34/166870234.db2.gz POEFDBMUDVQCQV-SSDOTTSWSA-N 0 0 174.313 1.788 10 0 ADAERN CCCCC[C@@H](C)[NH2+]CC(=O)[O-] 34380756 166870913 /nfs/dbraw/zinc/87/09/13/166870913.db2.gz XAZICOBYASVISU-MRVPVSSYSA-N 0 0 173.256 1.629 10 0 ADAERN CCCCCSC[C@H]([NH3+])C(=O)[O-] 19437526 166871536 /nfs/dbraw/zinc/87/15/36/166871536.db2.gz DGCQOWOCQPEQIN-ZETCQYMHSA-N 0 0 191.296 1.322 10 0 ADAERN CCCCC[C@H](C)NC=O 5978228 166872721 /nfs/dbraw/zinc/87/27/21/166872721.db2.gz GFVRKPKAQHTAQK-QMMMGPOBSA-N 0 0 143.230 1.701 10 0 in-vivo ADAERN CCCCC[C@H](C)NN 19168060 166872991 /nfs/dbraw/zinc/87/29/91/166872991.db2.gz QASRWQHUFYVGQC-ZETCQYMHSA-N 0 0 130.235 1.419 10 0 ADAERN O=C1NCCC[C@H]1Cc1nccs1 133815089 343927861 /nfs/dbraw/zinc/92/78/61/343927861.db2.gz ZKLVLPXZJCHMSX-ZETCQYMHSA-N 0 0 196.275 1.212 10 0 ADAERN CCCCC[C@@]1(C)OC[C@@H](CO)O1 1641396 166874003 /nfs/dbraw/zinc/87/40/03/166874003.db2.gz HJELPCHEJDULNR-ZJUUUORDSA-N 0 0 188.267 1.691 10 0 ADAERN CCCCC[C@H](C)NC(=S)NN 42572111 166874745 /nfs/dbraw/zinc/87/47/45/166874745.db2.gz QQJCTYNZYKDZOO-ZETCQYMHSA-N 0 0 189.328 1.293 10 0 ADAERN CCCCC[C@H](C)S(N)(=O)=O 50350551 166876317 /nfs/dbraw/zinc/87/63/17/166876317.db2.gz SUWNWHSTRGJNET-ZETCQYMHSA-N 0 0 179.285 1.244 10 0 ADAERN CCCCC[C@](C)(O)CO 36437654 166877074 /nfs/dbraw/zinc/87/70/74/166877074.db2.gz UBNIJVDFUWZODL-QMMMGPOBSA-N 0 0 146.230 1.310 10 0 ADAERN CCCCCn1ncc(C)c1N 41053034 166877563 /nfs/dbraw/zinc/87/75/63/166877563.db2.gz KETJCWDXGVFLFJ-UHFFFAOYSA-N 0 0 167.256 1.964 10 0 ADAERN CCCCCc1cc(N)n(C)n1 36938121 166877711 /nfs/dbraw/zinc/87/77/11/166877711.db2.gz HJGFVIGRHPJZSG-UHFFFAOYSA-N 0 0 167.256 1.735 10 0 ADAERN CCCCCc1cc(N)no1 34446942 166878288 /nfs/dbraw/zinc/87/82/88/166878288.db2.gz OUYAUCZSSFLZIX-UHFFFAOYSA-N 0 0 154.213 1.990 10 0 ADAERN CCCCCC1N=NC(=S)N1 36948325 166878304 /nfs/dbraw/zinc/87/83/04/166878304.db2.gz SRNLWDPWTHXUEW-UHFFFAOYSA-N 0 0 171.269 1.826 10 0 ADAERN CCCCCc1nnc(N)o1 20481193 166878308 /nfs/dbraw/zinc/87/83/08/166878308.db2.gz JNSNERZRIHREEV-UHFFFAOYSA-N 0 0 155.201 1.385 10 0 ADAERN CCCCCn1cc(N)ccc1=O 19390497 166878466 /nfs/dbraw/zinc/87/84/66/166878466.db2.gz GEYFZSDVLIHYKI-UHFFFAOYSA-N 0 0 180.251 1.621 10 0 ADAERN CCCCN(C(N)=O)[C@@H](C)CC 42609233 166878473 /nfs/dbraw/zinc/87/84/73/166878473.db2.gz PMQRQZQIDQMTJE-QMMMGPOBSA-N 0 0 172.272 1.966 10 0 ADAERN CCCCCc1cc(=O)[nH]c(N)n1 28825111 166878972 /nfs/dbraw/zinc/87/89/72/166878972.db2.gz FZOQWSSCUUVBKF-UHFFFAOYSA-N 0 0 181.239 1.085 10 0 ADAERN CCCCCn1cccc(N)c1=O 50445442 166879416 /nfs/dbraw/zinc/87/94/16/166879416.db2.gz YYQDUFOUGBMDDK-UHFFFAOYSA-N 0 0 180.251 1.621 10 0 ADAERN CCCCCc1nc(CNC)no1 51848761 166879623 /nfs/dbraw/zinc/87/96/23/166879623.db2.gz DZUIKRYNNHEEBN-UHFFFAOYSA-N 0 0 183.255 1.522 10 0 ADAERN CCCCN(CCCC)c1nn[nH]n1 5551919 166886821 /nfs/dbraw/zinc/88/68/21/166886821.db2.gz GMXCNBJOMCACDD-UHFFFAOYSA-N 0 0 197.286 1.606 10 0 ADAERN CCCCN(CC[C@@H](C)O)N=O 5513704 166888874 /nfs/dbraw/zinc/88/88/74/166888874.db2.gz WOFRTBWWWXOQRM-MRVPVSSYSA-N 0 0 174.244 1.541 10 0 ADAERN CCCCN1CCCCC1=O 66322423 166888933 /nfs/dbraw/zinc/88/89/33/166888933.db2.gz WKWPESWRTFRCRU-UHFFFAOYSA-N 0 0 155.241 1.799 10 0 ADAERN CCCCN1C(=O)[C@@H](CC)N(C)C1=O 44626477 166889233 /nfs/dbraw/zinc/88/92/33/166889233.db2.gz ZRECFUKQPWBYGL-MRVPVSSYSA-N 0 0 198.266 1.459 10 0 ADAERN CCCCN1C=CN(C)[C@@H]1C 100097476 166889726 /nfs/dbraw/zinc/88/97/26/166889726.db2.gz TYOCDPIZUIQUSO-VIFPVBQESA-N 0 0 154.257 1.851 10 0 in-vitro ADAERN CCCCN1C(=O)CSC1=O 38536778 166889904 /nfs/dbraw/zinc/88/99/04/166889904.db2.gz FKVULACBYWDJMS-UHFFFAOYSA-N 0 0 173.237 1.482 10 0 ADAERN CCCCN1C(=O)CN(CC)C1=O 44626344 166890094 /nfs/dbraw/zinc/89/00/94/166890094.db2.gz PHVJRGBWQQRRHO-UHFFFAOYSA-N 0 0 184.239 1.071 10 0 ADAERN CCCCN1C(=O)C=C(C)C1=O 37384040 166890113 /nfs/dbraw/zinc/89/01/13/166890113.db2.gz SBJYPVQJCWJSRK-UHFFFAOYSA-N 0 0 167.208 1.102 10 0 ADAERN O=C1NCC[C@H]1Cc1ccsc1 133854088 343928252 /nfs/dbraw/zinc/92/82/52/343928252.db2.gz KEOBYVXDPXVJHT-QMMMGPOBSA-N 0 0 181.260 1.427 10 0 ADAERN CCCCN(COC)N=O 5821210 166890698 /nfs/dbraw/zinc/89/06/98/166890698.db2.gz DENOWCNHRBCXDW-UHFFFAOYSA-N 0 0 146.190 1.374 10 0 ADAERN CCCCN1C(=O)CCC[C@@H]1O 196408104 166890782 /nfs/dbraw/zinc/89/07/82/166890782.db2.gz ADUSJVXGNCQJBV-QMMMGPOBSA-N 0 0 171.240 1.117 10 0 ADAERN CCCCN=O 112977200 166891877 /nfs/dbraw/zinc/89/18/77/166891877.db2.gz VVGONFMJWMFEMZ-UHFFFAOYSA-N 0 0 87.122 1.553 10 0 ADAERN CCCCN1C[C@H]1COC 39079129 166893203 /nfs/dbraw/zinc/89/32/03/166893203.db2.gz LNPLSHKFVZUTFV-IENPIDJESA-N 0 0 143.230 1.117 10 0 ADAERN CCCCNC(=O)c1c(C)n[nH]c1C 36165264 166895086 /nfs/dbraw/zinc/89/50/86/166895086.db2.gz BEYMNSCQRHESLV-UHFFFAOYSA-N 0 0 195.266 1.556 10 0 ADAERN CCCCNC(=O)c1cc(N)c[nH]1 36861897 166895128 /nfs/dbraw/zinc/89/51/28/166895128.db2.gz QSMZMDLEGGDIFH-UHFFFAOYSA-N 0 0 181.239 1.127 10 0 ADAERN CCCCNC(=O)CC[C@H](C)O 49805111 166895289 /nfs/dbraw/zinc/89/52/89/166895289.db2.gz FLVHECHVWZKACW-QMMMGPOBSA-N 0 0 173.256 1.064 10 0 ADAERN CCCCNC(=O)n1cnc(C)c1 26185954 166896290 /nfs/dbraw/zinc/89/62/90/166896290.db2.gz KQIZWCYNVSYGKS-UHFFFAOYSA-N 0 0 181.239 1.549 10 0 ADAERN CCCCNC(=O)n1ccnc1C 26186146 166896525 /nfs/dbraw/zinc/89/65/25/166896525.db2.gz QXQPGNWYQKODFX-UHFFFAOYSA-N 0 0 181.239 1.549 10 0 ADAERN CCCCNC(=O)Nc1cc[nH]n1 42414594 166896733 /nfs/dbraw/zinc/89/67/33/166896733.db2.gz VQISVDCMVHQCMN-UHFFFAOYSA-N 0 0 182.227 1.331 10 0 ADAERN CCCCNC(=O)SC 38292443 166896858 /nfs/dbraw/zinc/89/68/58/166896858.db2.gz YYTUUFAEVJPDAA-UHFFFAOYSA-N 0 0 147.243 1.859 10 0 ADAERN CCCCNc1c(N)c(C)nn1C 36749047 166902313 /nfs/dbraw/zinc/90/23/13/166902313.db2.gz WGPQUNCBUFPNQV-UHFFFAOYSA-N 0 0 182.271 1.523 10 0 ADAERN CC[C@@H](C)C[C@@H]1CCNC1=O 133850832 343928258 /nfs/dbraw/zinc/92/82/58/343928258.db2.gz VCRGMNKMASIREY-SFYZADRCSA-N 0 0 155.241 1.559 10 0 ADAERN CCCCNc1ccc(=O)n(C)c1 37785299 166903607 /nfs/dbraw/zinc/90/36/07/166903607.db2.gz QNAAGRQALDHALP-UHFFFAOYSA-N 0 0 180.251 1.597 10 0 ADAERN CCCCNc1ncc(N)cn1 40455278 166903653 /nfs/dbraw/zinc/90/36/53/166903653.db2.gz DMGMTKCQYIREDT-UHFFFAOYSA-N 0 0 166.228 1.271 10 0 ADAERN CCCCOC(=O)c1cc(N)cn1C 41046583 166904345 /nfs/dbraw/zinc/90/43/45/166904345.db2.gz BQMVKUYKPAVMGD-UHFFFAOYSA-N 0 0 196.250 1.564 10 0 ADAERN CCCCOCCCO[C@@H](O)CC 33506298 166905030 /nfs/dbraw/zinc/90/50/30/166905030.db2.gz LNFLHXZJCVGTSO-SNVBAGLBSA-N 0 0 190.283 1.938 10 0 ADAERN CCCCOCCC(N)=S 37093606 166905289 /nfs/dbraw/zinc/90/52/89/166905289.db2.gz LXPNGTCZPPFCEI-UHFFFAOYSA-N 0 0 161.270 1.479 10 0 ADAERN CCCCOC(=O)NCC 34370543 166905326 /nfs/dbraw/zinc/90/53/26/166905326.db2.gz USIYRFTZKYKHBI-UHFFFAOYSA-N 0 0 145.202 1.533 10 0 ADAERN CCCCOC(=O)c1cc(C)on1 33608666 166905436 /nfs/dbraw/zinc/90/54/36/166905436.db2.gz KJWXLOFPERELSJ-UHFFFAOYSA-N 0 0 183.207 1.940 10 0 ADAERN CCCCOCC(N)=S 37093592 166905484 /nfs/dbraw/zinc/90/54/84/166905484.db2.gz LSWJUMGQDJIAIC-UHFFFAOYSA-N 0 0 147.243 1.089 10 0 ADAERN CCCCOCCCC(=O)COC 51695134 166905500 /nfs/dbraw/zinc/90/55/00/166905500.db2.gz LCHYIKRFEDULCF-UHFFFAOYSA-N 0 0 188.267 1.799 10 0 ADAERN CCCCOCCC(C)=O 37093684 166905697 /nfs/dbraw/zinc/90/56/97/166905697.db2.gz RWPVTNWSHPSZRA-UHFFFAOYSA-N 0 0 144.214 1.782 10 0 ADAERN CCCCOC(=O)C[C@H](C)O 5821397 166905755 /nfs/dbraw/zinc/90/57/55/166905755.db2.gz LHDWRKCOQQHAMP-ZETCQYMHSA-N 0 0 160.213 1.101 10 0 ADAERN CCCCOC(=O)[C@@H]1C[C@H](C)CCN1 75601378 166905966 /nfs/dbraw/zinc/90/59/66/166905966.db2.gz DLSFRVJUZMXRJG-ZJUUUORDSA-N 0 0 199.294 1.718 10 0 ADAERN CCCCOCCC[C@@H](C)O 43656829 166906423 /nfs/dbraw/zinc/90/64/23/166906423.db2.gz LURSBVMEKAXVBO-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CCCCO[C@@H](O)CC 33649511 166907131 /nfs/dbraw/zinc/90/71/31/166907131.db2.gz IDQBJILTOGBZCR-SSDOTTSWSA-N 0 0 132.203 1.532 10 0 ADAERN CCCCOCC[C@@H](C)O 44234840 166907483 /nfs/dbraw/zinc/90/74/83/166907483.db2.gz XUEOLBVJXCOWKF-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN CCCCOCCn1cc(N)cn1 49262264 166907736 /nfs/dbraw/zinc/90/77/36/166907736.db2.gz KLZDLMYXGGFYGH-UHFFFAOYSA-N 0 0 183.255 1.282 10 0 ADAERN CCCCO[C@H](C)C(=O)OCC 34120405 166908165 /nfs/dbraw/zinc/90/81/65/166908165.db2.gz HMONIZCCNGYDDJ-MRVPVSSYSA-N 0 0 174.240 1.755 10 0 ADAERN CCCCO[C@@H](C)OC[C@H](C)O 113357019 166908299 /nfs/dbraw/zinc/90/82/99/166908299.db2.gz RVDGRBNREJFKHO-DTWKUNHWSA-N 0 0 176.256 1.547 10 0 ADAERN CCCCOCc1cc(=O)c(O)co1 27195389 166908360 /nfs/dbraw/zinc/90/83/60/166908360.db2.gz KUXNZKIHUKJEHY-UHFFFAOYSA-N 0 0 198.218 1.662 10 0 ADAERN CCCCOc1cc(C)nc(N)n1 58825465 166909011 /nfs/dbraw/zinc/90/90/11/166909011.db2.gz OCKKEMOAPCXCAK-UHFFFAOYSA-N 0 0 181.239 1.546 10 0 ADAERN CCCCO[C@H](C)[C@H](O)CC 44235109 166909411 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CCCNC(=O)N[C@H]1C[C@H]1C 122326462 166981151 /nfs/dbraw/zinc/98/11/51/166981151.db2.gz RZEUQZWSWMQQRE-RQJHMYQMSA-N 0 0 156.229 1.104 10 0 ADAERN CCCNC(=O)N[C@H]1CC[C@@H]1C 306520735 166981388 /nfs/dbraw/zinc/98/13/88/166981388.db2.gz DZCOXOZUYFBKHL-YUMQZZPRSA-N 0 0 170.256 1.494 10 0 ADAERN CCCNC(=O)c1cc(C)cc(=O)[nH]1 336127226 166981799 /nfs/dbraw/zinc/98/17/99/166981799.db2.gz QZCAZZPUCRFXIR-UHFFFAOYSA-N 0 0 194.234 1.235 10 0 ADAERN CCCNC(=O)c1ccc(NC)cn1 39140743 166981817 /nfs/dbraw/zinc/98/18/17/166981817.db2.gz ZWSHSNPHZQIGNV-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CCCNC(=S)N1CCCC1 13825765 166981953 /nfs/dbraw/zinc/98/19/53/166981953.db2.gz DRTKELISYMMPBD-UHFFFAOYSA-N 0 0 172.297 1.367 10 0 ADAERN CCCNC(=O)c1ccc(N)cc1F 43570420 166982068 /nfs/dbraw/zinc/98/20/68/166982068.db2.gz PQENPGISQQPNOM-UHFFFAOYSA-N 0 0 196.225 1.548 10 0 ADAERN CCCNC(=O)c1c[nH]c(=O)cc1C 335837437 166982498 /nfs/dbraw/zinc/98/24/98/166982498.db2.gz NKOJGARZEJPESM-UHFFFAOYSA-N 0 0 194.234 1.235 10 0 ADAERN CCC[NH2+]C(CC)(CC)C(=O)[O-] 37182425 166982693 /nfs/dbraw/zinc/98/26/93/166982693.db2.gz UVTQECNEIRVXHZ-UHFFFAOYSA-N 0 0 173.256 1.629 10 0 ADAERN CCCNC(=O)[C@H]1CCC(C)(C)O1 307666565 166982767 /nfs/dbraw/zinc/98/27/67/166982767.db2.gz MXYZICCFULKRTE-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN CCCNC(=O)[C@H]1CCCO[C@H]1C 307150102 166983511 /nfs/dbraw/zinc/98/35/11/166983511.db2.gz SXDSXAQKAIOVQY-IUCAKERBSA-N 0 0 185.267 1.328 10 0 ADAERN CCCNC(=O)[C@H]1CCOC[C@@H]1C 300907213 166983784 /nfs/dbraw/zinc/98/37/84/166983784.db2.gz XEBACJWQWAUXSC-IUCAKERBSA-N 0 0 185.267 1.185 10 0 ADAERN CCCNC(=O)c1cc(C)n(CC)n1 34901186 166983924 /nfs/dbraw/zinc/98/39/24/166983924.db2.gz JIFWVBSETLBXMT-UHFFFAOYSA-N 0 0 195.266 1.351 10 0 ADAERN CCCNC(=O)c1c(C)csc1N 104278160 166984027 /nfs/dbraw/zinc/98/40/27/166984027.db2.gz VSXRSXGNXSBNKE-UHFFFAOYSA-N 0 0 198.291 1.779 10 0 ADAERN CCCNC(=O)c1ccc(C)cc1N 75580942 166984051 /nfs/dbraw/zinc/98/40/51/166984051.db2.gz LYBDZGICKXQFHJ-UHFFFAOYSA-N 0 0 192.262 1.717 10 0 ADAERN CCCNC(=O)c1ccc(NC)cc1 21996741 166984076 /nfs/dbraw/zinc/98/40/76/166984076.db2.gz PLNMSTOBZPRWMC-UHFFFAOYSA-N 0 0 192.262 1.868 10 0 ADAERN CCC[NH2+][C@@H](CCSC)C(=O)[O-] 37472235 166996479 /nfs/dbraw/zinc/99/64/79/166996479.db2.gz XUBATEVJJZIKPI-ZETCQYMHSA-N 0 0 191.296 1.192 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])[C@H](C)CCC 49953650 166997833 /nfs/dbraw/zinc/99/78/33/166997833.db2.gz NNLGNIMLERJHFU-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CCCN[C@@](C)(C(=O)OC)C(C)C 52883735 166998680 /nfs/dbraw/zinc/99/86/80/166998680.db2.gz PHJFBLMAXNFGAM-SNVBAGLBSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])[C@@H](C)CCC 49953651 166999130 /nfs/dbraw/zinc/99/91/30/166999130.db2.gz NNLGNIMLERJHFU-IUCAKERBSA-N 0 0 187.283 1.875 10 0 ADAERN CCCN[C@H](CCC)C(=O)OC 37459269 167000650 /nfs/dbraw/zinc/00/06/50/167000650.db2.gz PPGLUVAISWBRKY-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CCC[NH2+][C@](C)(C(=O)[O-])C(C)C 52883716 167001840 /nfs/dbraw/zinc/00/18/40/167001840.db2.gz TYEZNFRLGFBBOY-VIFPVBQESA-N 0 0 173.256 1.485 10 0 ADAERN CCCN[C@H]1OC(=O)c2ccccc21 59601784 167002107 /nfs/dbraw/zinc/00/21/07/167002107.db2.gz GLKSDOOIDHCFNG-JTQLQIEISA-N 0 0 191.230 1.855 10 0 ADAERN CCC[NH2+][C@H]1CCC[C@H](C(=O)[O-])C1 70502225 167002460 /nfs/dbraw/zinc/00/24/60/167002460.db2.gz FEFMAKYCZCAITP-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN CCCN[C@](C)(C(=O)OC)C(C)C 52883734 167003592 /nfs/dbraw/zinc/00/35/92/167003592.db2.gz PHJFBLMAXNFGAM-JTQLQIEISA-N 0 0 187.283 1.574 10 0 ADAERN CCC[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1 70502229 167003913 /nfs/dbraw/zinc/00/39/13/167003913.db2.gz FEFMAKYCZCAITP-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN CCCNc1c(C)n[nH]c1C 36734762 167004563 /nfs/dbraw/zinc/00/45/63/167004563.db2.gz JAJJPDKYUNGBFH-UHFFFAOYSA-N 0 0 153.229 1.848 10 0 ADAERN CCCNc1ccc(N)c(C(N)=O)c1 41046082 167004567 /nfs/dbraw/zinc/00/45/67/167004567.db2.gz BUJYQFMVSLHTST-UHFFFAOYSA-N 0 0 193.250 1.190 10 0 ADAERN CCCNc1ccc(F)c(C(N)=O)c1 37023217 167004579 /nfs/dbraw/zinc/00/45/79/167004579.db2.gz UWZCPBYOEKSWBR-UHFFFAOYSA-N 0 0 196.225 1.747 10 0 ADAERN CCCNc1ccc2[nH]c(=O)[nH]c2c1 20095028 167004612 /nfs/dbraw/zinc/00/46/12/167004612.db2.gz IKYHOWDNFWOLJC-UHFFFAOYSA-N 0 0 191.234 1.678 10 0 ADAERN CCCNc1n[nH]c2c1COCC2 62668366 167004822 /nfs/dbraw/zinc/00/48/22/167004822.db2.gz HBOHWACOAMENTR-UHFFFAOYSA-N 0 0 181.239 1.304 10 0 ADAERN CCCNc1ccc2nnc(C)n2n1 64555148 167004833 /nfs/dbraw/zinc/00/48/33/167004833.db2.gz ZRLWNWGDJLQQFF-UHFFFAOYSA-N 0 0 191.238 1.255 10 0 ADAERN CCCNc1cc(C)c(C)nn1 54931274 167004858 /nfs/dbraw/zinc/00/48/58/167004858.db2.gz AKQUWLYBIBWRSK-UHFFFAOYSA-N 0 0 165.240 1.915 10 0 ADAERN CCCNc1c(N)cc(C)cc1N 75569606 167004871 /nfs/dbraw/zinc/00/48/71/167004871.db2.gz HOAFEOSABNTLCB-UHFFFAOYSA-N 0 0 179.267 1.981 10 0 ADAERN CCC[NH2+][C@](C)(CSC)C(=O)[O-] 45595010 167004895 /nfs/dbraw/zinc/00/48/95/167004895.db2.gz TYSRQWHSZIHYAZ-MRVPVSSYSA-N 0 0 191.296 1.192 10 0 ADAERN CCCNc1cc(C(N)=S)ccn1 19512368 167004930 /nfs/dbraw/zinc/00/49/30/167004930.db2.gz GERHGDFQFMPOCK-UHFFFAOYSA-N 0 0 195.291 1.538 10 0 ADAERN CCCNc1ccc(C)nn1 41045005 167004986 /nfs/dbraw/zinc/00/49/86/167004986.db2.gz IXMZZVQLZJOKPQ-UHFFFAOYSA-N 0 0 151.213 1.607 10 0 ADAERN CCCNc1ccc(N)c(OC)n1 37066668 167005009 /nfs/dbraw/zinc/00/50/09/167005009.db2.gz QKTGLVFMBBOZPD-UHFFFAOYSA-N 0 0 181.239 1.494 10 0 ADAERN CCCNc1ccc(C)cc1C(N)=O 53000698 167005031 /nfs/dbraw/zinc/00/50/31/167005031.db2.gz PMSODIJVHGFBIH-UHFFFAOYSA-N 0 0 192.262 1.916 10 0 ADAERN CCCNc1ccc(C(=O)NC)cc1 36957822 167005071 /nfs/dbraw/zinc/00/50/71/167005071.db2.gz GLLDWDBLWRUOGZ-UHFFFAOYSA-N 0 0 192.262 1.868 10 0 ADAERN CCCNc1ccc(OC)nc1 19877945 167005118 /nfs/dbraw/zinc/00/51/18/167005118.db2.gz NZRPQZMYCUVSRF-UHFFFAOYSA-N 0 0 166.224 1.912 10 0 ADAERN CCCNc1c(C)nn(C)c1CO 40544088 167005129 /nfs/dbraw/zinc/00/51/29/167005129.db2.gz RUICAELXDZIUHN-UHFFFAOYSA-N 0 0 183.255 1.043 10 0 ADAERN CCCNc1cc(C)on1 62796920 167005152 /nfs/dbraw/zinc/00/51/52/167005152.db2.gz YDNRFDVVKNENQZ-UHFFFAOYSA-N 0 0 140.186 1.805 10 0 ADAERN CCCNc1cccc(OC)n1 34595870 167005156 /nfs/dbraw/zinc/00/51/56/167005156.db2.gz WOLNWFVICKVRKK-UHFFFAOYSA-N 0 0 166.224 1.912 10 0 ADAERN CCCNc1ccc(N)nc1 19953042 167005207 /nfs/dbraw/zinc/00/52/07/167005207.db2.gz OHTLPJBHHDJKFK-UHFFFAOYSA-N 0 0 151.213 1.486 10 0 ADAERN CCCNc1n[nH]c2c1CCC2 62668339 167005381 /nfs/dbraw/zinc/00/53/81/167005381.db2.gz FJYKLXDIDSYEEA-UHFFFAOYSA-N 0 0 165.240 1.720 10 0 ADAERN CCCNc1cc2c(nn1)CCC2 54931248 167005401 /nfs/dbraw/zinc/00/54/01/167005401.db2.gz RBYXQSIBFVLUNK-UHFFFAOYSA-N 0 0 177.251 1.787 10 0 ADAERN CCCNc1cc(C)cc2ncnn12 35047940 167005418 /nfs/dbraw/zinc/00/54/18/167005418.db2.gz CDHKZFHCIHIHHP-UHFFFAOYSA-N 0 0 190.250 1.860 10 0 ADAERN CCCNc1ccc(N)c2nonc12 35675322 167005446 /nfs/dbraw/zinc/00/54/46/167005446.db2.gz QFMYPSROVYTJIX-UHFFFAOYSA-N 0 0 192.222 1.627 10 0 ADAERN CCCNc1ccc(NN)cn1 36221219 167005601 /nfs/dbraw/zinc/00/56/01/167005601.db2.gz JJVBFDJKXPKZSU-UHFFFAOYSA-N 0 0 166.228 1.189 10 0 ADAERN CCCNc1cccc(C(N)=O)c1 20124997 167005637 /nfs/dbraw/zinc/00/56/37/167005637.db2.gz GEIRSUJYGFAKBN-UHFFFAOYSA-N 0 0 178.235 1.607 10 0 ADAERN CCCNc1cc(C)nc2ncnn12 35121315 167005700 /nfs/dbraw/zinc/00/57/00/167005700.db2.gz IPZJNZRQIXZROY-UHFFFAOYSA-N 0 0 191.238 1.255 10 0 ADAERN CCCNc1cc(COC)nc(C)n1 51697714 167005752 /nfs/dbraw/zinc/00/57/52/167005752.db2.gz JNPRWBFCELQISD-UHFFFAOYSA-N 0 0 195.266 1.753 10 0 ADAERN CCCNc1ccc(C(N)=O)cc1 19911656 167005764 /nfs/dbraw/zinc/00/57/64/167005764.db2.gz QRWWZYMGIWFXEJ-UHFFFAOYSA-N 0 0 178.235 1.607 10 0 ADAERN CCCNc1ccc(=O)n(CC)c1 37773712 167005831 /nfs/dbraw/zinc/00/58/31/167005831.db2.gz XTLXNPWCFVFSRD-UHFFFAOYSA-N 0 0 180.251 1.690 10 0 ADAERN CCCNc1n[nH]c(C)c1C 62668379 167005849 /nfs/dbraw/zinc/00/58/49/167005849.db2.gz KXUNCEPJFINVSQ-UHFFFAOYSA-N 0 0 153.229 1.848 10 0 ADAERN CCCNc1ccc(C(=O)NC)cn1 39225917 167005885 /nfs/dbraw/zinc/00/58/85/167005885.db2.gz AJGGTYICNLZUDR-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CCCNc1c(N)c(C)nn1C 36749015 167005930 /nfs/dbraw/zinc/00/59/30/167005930.db2.gz FNEXIXGXWVPKPQ-UHFFFAOYSA-N 0 0 168.244 1.133 10 0 ADAERN CCCNc1ccc(C=O)cn1 40538680 167005944 /nfs/dbraw/zinc/00/59/44/167005944.db2.gz VOLJRDAXQBZLLX-UHFFFAOYSA-N 0 0 164.208 1.716 10 0 ADAERN CCCNc1cc(=O)cc[nH]1 83339559 167006014 /nfs/dbraw/zinc/00/60/14/167006014.db2.gz YPYGGXFFUGXYMF-UHFFFAOYSA-N 0 0 152.197 1.197 10 0 ADAERN CCCNc1ccc(C(=O)OC)nn1 37462052 167006025 /nfs/dbraw/zinc/00/60/25/167006025.db2.gz GZQDCORRSRCMSM-UHFFFAOYSA-N 0 0 195.222 1.085 10 0 ADAERN CCCNc1c(C)nn(C)c1C 20135452 167006149 /nfs/dbraw/zinc/00/61/49/167006149.db2.gz XCFSURQKAWCCHN-UHFFFAOYSA-N 0 0 167.256 1.859 10 0 ADAERN CCCNc1ccc(C(N)=O)cc1C 37027450 167006189 /nfs/dbraw/zinc/00/61/89/167006189.db2.gz SFHJWHFUGIUXLC-UHFFFAOYSA-N 0 0 192.262 1.916 10 0 ADAERN CCCNc1cc(C(N)=O)ccc1C 83341783 167006191 /nfs/dbraw/zinc/00/61/91/167006191.db2.gz VMOHXHRNFKFMHF-UHFFFAOYSA-N 0 0 192.262 1.916 10 0 ADAERN CCCNc1cccc(NC(N)=O)c1 37136033 167006247 /nfs/dbraw/zinc/00/62/47/167006247.db2.gz NPZMGSWMBFDWTC-UHFFFAOYSA-N 0 0 193.250 1.999 10 0 ADAERN CCCNc1cc(C(N)=O)ccc1F 37013625 167006403 /nfs/dbraw/zinc/00/64/03/167006403.db2.gz ZXRCHBCDMORKOL-UHFFFAOYSA-N 0 0 196.225 1.747 10 0 ADAERN CCCNc1cc(C)nc(C)n1 37498679 167006418 /nfs/dbraw/zinc/00/64/18/167006418.db2.gz GKDBQYVILRMAHQ-UHFFFAOYSA-N 0 0 165.240 1.915 10 0 ADAERN CCCNc1ccc(C(N)=O)nc1 39140744 167006441 /nfs/dbraw/zinc/00/64/41/167006441.db2.gz FFLCBDOANPRMIY-UHFFFAOYSA-N 0 0 179.223 1.002 10 0 ADAERN CCCNc1ccc(N(C)C)nc1 36989132 167006491 /nfs/dbraw/zinc/00/64/91/167006491.db2.gz NIGPTJLDOXZGDY-UHFFFAOYSA-N 0 0 179.267 1.970 10 0 ADAERN CCCNc1ccc(C(N)=S)cn1 19483351 167006693 /nfs/dbraw/zinc/00/66/93/167006693.db2.gz YOYHQGRNXJJQCR-UHFFFAOYSA-N 0 0 195.291 1.538 10 0 ADAERN CCCNc1c(CO)nn(C)c1C 40544113 167006715 /nfs/dbraw/zinc/00/67/15/167006715.db2.gz GUHNPVXFUSGNLC-UHFFFAOYSA-N 0 0 183.255 1.043 10 0 ADAERN CCCNc1ccc(=O)n(C)c1 37785301 167006770 /nfs/dbraw/zinc/00/67/70/167006770.db2.gz MMZSOJWMSDDZIJ-UHFFFAOYSA-N 0 0 166.224 1.207 10 0 ADAERN CCCNc1cccc(C(=O)NC)c1 20124710 167006783 /nfs/dbraw/zinc/00/67/83/167006783.db2.gz BNYJJYRTNHFSPF-UHFFFAOYSA-N 0 0 192.262 1.868 10 0 ADAERN CCCNc1ccc2oc(=O)[nH]c2c1 37130193 167006938 /nfs/dbraw/zinc/00/69/38/167006938.db2.gz KHOLTTDFZFFFJY-UHFFFAOYSA-N 0 0 192.218 1.943 10 0 ADAERN CCCNc1cc2c(nn1)CCOC2 54931268 167007077 /nfs/dbraw/zinc/00/70/77/167007077.db2.gz ZTVQPHKTLFQXEZ-UHFFFAOYSA-N 0 0 193.250 1.371 10 0 ADAERN CCCNc1cc[nH]n1 62797017 167007085 /nfs/dbraw/zinc/00/70/85/167007085.db2.gz KBUPWXPAEQCFBH-UHFFFAOYSA-N 0 0 125.175 1.232 10 0 ADAERN CCCNc1c[nH]ccc1=O 83339560 167007111 /nfs/dbraw/zinc/00/71/11/167007111.db2.gz YAJCZMYWMUYMGZ-UHFFFAOYSA-N 0 0 152.197 1.197 10 0 ADAERN CCCNc1cccc(C(N)=O)c1C 36996242 167007155 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/nfs/dbraw/zinc/00/76/10/167007610.db2.gz OQFXYCRXFBBBJZ-UHFFFAOYSA-N 0 0 195.266 1.487 10 0 ADAERN CCCNc1ccnc(C)n1 45921687 167007622 /nfs/dbraw/zinc/00/76/22/167007622.db2.gz BRSPAJRDDKPOIE-UHFFFAOYSA-N 0 0 151.213 1.607 10 0 ADAERN CCCNc1ccnc(N(C)C)n1 50863987 167007629 /nfs/dbraw/zinc/00/76/29/167007629.db2.gz PMUVUBBHLOWMFM-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN CCCNc1nccs1 20566285 167007640 /nfs/dbraw/zinc/00/76/40/167007640.db2.gz MQQNXHJDLKZGTQ-UHFFFAOYSA-N 0 0 142.227 1.965 10 0 ADAERN CCCNc1cnns1 83339501 167007654 /nfs/dbraw/zinc/00/76/54/167007654.db2.gz UUBBCLNWUIBVLJ-UHFFFAOYSA-N 0 0 143.215 1.360 10 0 ADAERN CCCNc1nccn(CC)c1=O 61761963 167007737 /nfs/dbraw/zinc/00/77/37/167007737.db2.gz GXSWLZKTRJKTCD-UHFFFAOYSA-N 0 0 181.239 1.085 10 0 ADAERN CCCNc1ncccc1C(=O)OC 34622828 167007804 /nfs/dbraw/zinc/00/78/04/167007804.db2.gz IPXKYULAQRBKMV-UHFFFAOYSA-N 0 0 194.234 1.690 10 0 ADAERN CCCNc1nc(OC)cc(OC)n1 83342688 167007826 /nfs/dbraw/zinc/00/78/26/167007826.db2.gz 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1.328 10 0 ADAERN CCC[C@@H](C)[C@@H](C(=O)[O-])[NH+](C)C 49954291 167034845 /nfs/dbraw/zinc/03/48/45/167034845.db2.gz CFCJLZTWGJPUCF-SFYZADRCSA-N 0 0 173.256 1.437 10 0 ADAERN CCC[C@@H](C)NCC(=O)OC(C)C 43446104 167034937 /nfs/dbraw/zinc/03/49/37/167034937.db2.gz GNXNHVYABLLCQG-SECBINFHSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@@H](C)Nc1ncc(N)cn1 40455257 167035006 /nfs/dbraw/zinc/03/50/06/167035006.db2.gz RGIDQTUXUMVVOO-SSDOTTSWSA-N 0 0 180.255 1.659 10 0 ADAERN CCC[C@@H](C)[NH2+][C@H](C)c1nnn[n-]1 44887772 167035127 /nfs/dbraw/zinc/03/51/27/167035127.db2.gz UQNIVEJYBOBGMU-RNFRBKRXSA-N 0 0 183.259 1.039 10 0 ADAERN C[C@H](O)CC[C@H]1CCCC1=O 133910011 343929307 /nfs/dbraw/zinc/92/93/07/343929307.db2.gz MWAVBMSKQQYONP-JGVFFNPUSA-N 0 0 156.225 1.517 10 0 ADAERN CCC[C@@H](C)[C@@H](C(=O)[O-])[NH+]1CCCC1 49954299 167035711 /nfs/dbraw/zinc/03/57/11/167035711.db2.gz CJMALUBUZBKSKJ-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@@H](C)N[C@H](C)C(=O)OCC 49367664 167036085 /nfs/dbraw/zinc/03/60/85/167036085.db2.gz APIDAKBNRHKEEE-RKDXNWHRSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@@H](C)OC(N)=O 593 167036145 /nfs/dbraw/zinc/03/61/45/167036145.db2.gz HZMVPSHLMIQQNX-RXMQYKEDSA-N 0 0 131.175 1.270 10 0 ADAERN CCC[C@@H](C)OC 14649361 167036390 /nfs/dbraw/zinc/03/63/90/167036390.db2.gz XSAJCGUYMQTAHL-ZCFIWIBFSA-N 0 0 102.177 1.821 10 0 ADAERN CCC[C@@H](C)N[C@@H](C)C(=O)OCC 49367656 167036406 /nfs/dbraw/zinc/03/64/06/167036406.db2.gz APIDAKBNRHKEEE-BDAKNGLRSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@@H](C)Nc1c(N)c(C)nn1C 36749036 167036520 /nfs/dbraw/zinc/03/65/20/167036520.db2.gz WFSOHEMXOIEHPJ-SSDOTTSWSA-N 0 0 196.298 1.911 10 0 ADAERN CCC[C@@H](C)Nc1ccc(=O)n(C)c1 37785543 167036582 /nfs/dbraw/zinc/03/65/82/167036582.db2.gz NAPUFXPOOXDDTK-SECBINFHSA-N 0 0 194.278 1.986 10 0 ADAERN CCC[C@@H](C)O[N+](=O)[O-] 5648611 167036999 /nfs/dbraw/zinc/03/69/99/167036999.db2.gz RWRBSYOTDDOXKC-RXMQYKEDSA-N 0 0 133.147 1.383 10 0 ADAERN CCC[C@@H](C)[C@H](NCC)C(=O)OC 49953670 167037487 /nfs/dbraw/zinc/03/74/87/167037487.db2.gz JJVGCHIJGOECLC-BDAKNGLRSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[C@@H](C)c1nnc(CN)o1 50283493 167037521 /nfs/dbraw/zinc/03/75/21/167037521.db2.gz PUIGNNLHFRNZQC-ZCFIWIBFSA-N 0 0 169.228 1.432 10 0 ADAERN CCC[C@@H](C)[C@H](O)CCC(=O)OC 49953214 167037536 /nfs/dbraw/zinc/03/75/36/167037536.db2.gz WRDWEILDXBMKAP-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN CCC[C@@H](CC(=O)[O-])[C@@H](C)[NH3+] 13641451 167037549 /nfs/dbraw/zinc/03/75/49/167037549.db2.gz WSXNEJJHTCOJIL-RQJHMYQMSA-N 0 0 159.229 1.225 10 0 ADAERN CCC[C@@H](CC)NC(N)=S 50403132 167037877 /nfs/dbraw/zinc/03/78/77/167037877.db2.gz AQMMXEQCOIGZKE-ZCFIWIBFSA-N 0 0 160.286 1.398 10 0 ADAERN CCC[C@@H](C)c1nc(C)n(N)c1N 52838346 167037939 /nfs/dbraw/zinc/03/79/39/167037939.db2.gz TUEQHWBKLBTNQC-ZCFIWIBFSA-N 0 0 182.271 1.391 10 0 ADAERN CCC[C@@H](C)[C@@H]([NH2+]CC)C(=O)[O-] 49953648 167037945 /nfs/dbraw/zinc/03/79/45/167037945.db2.gz SKKHOFMHAUWINE-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN CCC[C@@H](C)c1nc(CC)n(N)c1N 52838666 167038013 /nfs/dbraw/zinc/03/80/13/167038013.db2.gz IQCUHECGCCKIPE-SSDOTTSWSA-N 0 0 196.298 1.645 10 0 ADAERN CCC[C@@H](C)c1nnc([C@@H](C)N)o1 50284310 167038055 /nfs/dbraw/zinc/03/80/55/167038055.db2.gz VIRIUCWULCEOQK-RNFRBKRXSA-N 0 0 183.255 1.993 10 0 ADAERN CCC[C@@H](C)[C@H]([NH2+]CC1CC1)C(=O)[O-] 49953974 167038071 /nfs/dbraw/zinc/03/80/71/167038071.db2.gz BSRZGEFXGRULSE-SCZZXKLOSA-N 0 0 199.294 1.875 10 0 ADAERN CCC[C@@H](C)C1N=NC(=S)N1 37404876 167038162 /nfs/dbraw/zinc/03/81/62/167038162.db2.gz RBGKUNSGRBVCAM-RXMQYKEDSA-N 0 0 171.269 1.997 10 0 ADAERN CCC[C@@H](CC)N1CCC(=O)C1 50404889 167038295 /nfs/dbraw/zinc/03/82/95/167038295.db2.gz OTAAUUGTVJRVEP-SECBINFHSA-N 0 0 169.268 1.840 10 0 ADAERN CCC[C@@H](C)[C@@H]([NH2+]C(C)C)C(=O)[O-] 49953656 167038313 /nfs/dbraw/zinc/03/83/13/167038313.db2.gz NQSWOGHQWIOKBA-RKDXNWHRSA-N 0 0 187.283 1.874 10 0 ADAERN CCC[C@@H](C)c1nnc([C@H](C)N)o1 50284312 167038323 /nfs/dbraw/zinc/03/83/23/167038323.db2.gz VIRIUCWULCEOQK-RQJHMYQMSA-N 0 0 183.255 1.993 10 0 ADAERN CCC[C@@H](C)[C@@H](O)CC(=O)OCC 52248830 167038366 /nfs/dbraw/zinc/03/83/66/167038366.db2.gz BVEWSQQHQZRLIC-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN CCC[C@@H](C)[C@H]([NH2+]C)C(=O)[O-] 49953642 167038522 /nfs/dbraw/zinc/03/85/22/167038522.db2.gz GTMKRNQBSGZBCA-RQJHMYQMSA-N 0 0 159.229 1.095 10 0 ADAERN CCC[C@@H](C)c1n[nH]c(=S)n1N 26516257 167038552 /nfs/dbraw/zinc/03/85/52/167038552.db2.gz FBKWUBFPMIRONL-RXMQYKEDSA-N 0 0 186.284 1.558 10 0 ADAERN CCC[C@@H](C)[C@]1(CC)NC(=O)NC1=O 59990653 167038576 /nfs/dbraw/zinc/03/85/76/167038576.db2.gz VGXMEVJSYQGESC-XCBNKYQSSA-N 0 0 198.266 1.411 10 0 ADAERN CCC[C@@H](C)c1ncn(N)c1N 52838030 167038596 /nfs/dbraw/zinc/03/85/96/167038596.db2.gz XNLKYEXAWFOOJW-ZCFIWIBFSA-N 0 0 168.244 1.083 10 0 ADAERN CCC[C@@H](C)c1nnc(CNC)o1 50615431 167038694 /nfs/dbraw/zinc/03/86/94/167038694.db2.gz CMRDYUHTBLXOIV-SSDOTTSWSA-N 0 0 183.255 1.693 10 0 ADAERN CCC[C@@H](C)[C@@H](O)CCC(=O)OC 49953216 167038728 /nfs/dbraw/zinc/03/87/28/167038728.db2.gz WRDWEILDXBMKAP-BDAKNGLRSA-N 0 0 188.267 1.737 10 0 ADAERN CCC[C@@H](C)[C@H](C(=O)[O-])[NH+](C)C 49954293 167038754 /nfs/dbraw/zinc/03/87/54/167038754.db2.gz CFCJLZTWGJPUCF-HTQZYQBOSA-N 0 0 173.256 1.437 10 0 ADAERN CCC[C@@H](C)[C@H]([NH2+]C1CC1)C(=O)[O-] 49953658 167038815 /nfs/dbraw/zinc/03/88/15/167038815.db2.gz NUYKXMBTBYBIPY-APPZFPTMSA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@@H](C)[C@@H](NC)C(=O)OC 49953680 167038845 /nfs/dbraw/zinc/03/88/45/167038845.db2.gz VOQPFRHNJHFPIW-HTQZYQBOSA-N 0 0 173.256 1.184 10 0 ADAERN CCC[C@@H](C)[C@@H](NCC)C(=O)OC 49953672 167038893 /nfs/dbraw/zinc/03/88/93/167038893.db2.gz JJVGCHIJGOECLC-RKDXNWHRSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[C@@H](C)[C@@H](NC)C(=O)OCC 49953684 167038930 /nfs/dbraw/zinc/03/89/30/167038930.db2.gz YLXTZCZMHJRCHY-RKDXNWHRSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[C@@H](C)[C@H](O)CC(=O)OCC 52248828 167038956 /nfs/dbraw/zinc/03/89/56/167038956.db2.gz BVEWSQQHQZRLIC-RKDXNWHRSA-N 0 0 188.267 1.737 10 0 ADAERN CCC[C@@H](C)[C@@H](NC1CC1)C(=O)OC 49953696 167039171 /nfs/dbraw/zinc/03/91/71/167039171.db2.gz HZQDZPVUVILWJG-PSASIEDQSA-N 0 0 199.294 1.716 10 0 ADAERN CCC[C@@H](C)[C@H](NC)C(=O)OCC 49953682 167039312 /nfs/dbraw/zinc/03/93/12/167039312.db2.gz YLXTZCZMHJRCHY-BDAKNGLRSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[C@@H](C)[C@@]1(CC)NC(=O)NC1=O 59990649 167039335 /nfs/dbraw/zinc/03/93/35/167039335.db2.gz VGXMEVJSYQGESC-GMSGAONNSA-N 0 0 198.266 1.411 10 0 ADAERN CCC[C@@H](C)[C@H]([NH2+]CC)C(=O)[O-] 49953646 167039345 /nfs/dbraw/zinc/03/93/45/167039345.db2.gz SKKHOFMHAUWINE-SFYZADRCSA-N 0 0 173.256 1.485 10 0 ADAERN CCC[C@@H](C)[C@H]([NH2+]C(C)C)C(=O)[O-] 49953654 167039398 /nfs/dbraw/zinc/03/93/98/167039398.db2.gz NQSWOGHQWIOKBA-BDAKNGLRSA-N 0 0 187.283 1.874 10 0 ADAERN CCC[C@@H](C)[C@H](NC)C(=O)OC 49953678 167039405 /nfs/dbraw/zinc/03/94/05/167039405.db2.gz VOQPFRHNJHFPIW-SFYZADRCSA-N 0 0 173.256 1.184 10 0 ADAERN CCC[C@@H](CC)N1CCC(=O)C1=O 50404898 167039436 /nfs/dbraw/zinc/03/94/36/167039436.db2.gz QOUJBBYESHSETA-MRVPVSSYSA-N 0 0 183.251 1.367 10 0 ADAERN CCC[C@@H](C)c1nnc(N)o1 20252029 167039447 /nfs/dbraw/zinc/03/94/47/167039447.db2.gz ZRUMUBPTBMUKDD-RXMQYKEDSA-N 0 0 155.201 1.555 10 0 ADAERN CCC[C@@H](C)[C@@H]([NH2+]CC1CC1)C(=O)[O-] 49953976 167039457 /nfs/dbraw/zinc/03/94/57/167039457.db2.gz BSRZGEFXGRULSE-PSASIEDQSA-N 0 0 199.294 1.875 10 0 ADAERN CCC[C@@H](CC)N1C(=O)C=C(C)C1=O 50405499 167039458 /nfs/dbraw/zinc/03/94/58/167039458.db2.gz ZAHGJNXMEPLQFZ-SECBINFHSA-N 0 0 195.262 1.880 10 0 ADAERN CCC[C@@H](C)[C@@H]([NH2+]C)C(=O)[O-] 49953644 167039696 /nfs/dbraw/zinc/03/96/96/167039696.db2.gz GTMKRNQBSGZBCA-RNFRBKRXSA-N 0 0 159.229 1.095 10 0 ADAERN CCC[C@@H](CC)NC(=O)CC(C)=O 50405477 167039826 /nfs/dbraw/zinc/03/98/26/167039826.db2.gz NZLYIRDGYGLJBV-SECBINFHSA-N 0 0 185.267 1.660 10 0 ADAERN CCC[C@@H](C)[C@@H](O)C(C)=O 100219404 167039880 /nfs/dbraw/zinc/03/98/80/167039880.db2.gz BIUQEUDHRROKJH-HTRCEHHLSA-N 0 0 144.214 1.373 10 0 ADAERN CCC[C@@H](C)c1nnc2n1CCNC2 53709786 167039895 /nfs/dbraw/zinc/03/98/95/167039895.db2.gz GTWMHVWQHBUTHP-MRVPVSSYSA-N 0 0 194.282 1.285 10 0 ADAERN CCC[C@@H](CC)N1C(=O)C=CC1=O 50405495 167039921 /nfs/dbraw/zinc/03/99/21/167039921.db2.gz JKAYVPYHVVTUDW-MRVPVSSYSA-N 0 0 181.235 1.490 10 0 ADAERN CCC[C@@H](C)[C@H](C(=O)[O-])[NH+]1CCCC1 49954301 167039926 /nfs/dbraw/zinc/03/99/26/167039926.db2.gz CJMALUBUZBKSKJ-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@@H](C)[C@H](NC1CC1)C(=O)OC 49953694 167040001 /nfs/dbraw/zinc/04/00/01/167040001.db2.gz HZQDZPVUVILWJG-SCZZXKLOSA-N 0 0 199.294 1.716 10 0 ADAERN CCC[C@@H](CC(=O)OC)OC(C)=O 5648690 167040090 /nfs/dbraw/zinc/04/00/90/167040090.db2.gz ODICPWSNEYHYSJ-QMMMGPOBSA-N 0 0 188.223 1.281 10 0 ADAERN CCC[C@@H](C)[C@H](O)C(C)=O 39069357 167040255 /nfs/dbraw/zinc/04/02/55/167040255.db2.gz BIUQEUDHRROKJH-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN CCC[C@@H](C)[C@@H]([NH2+]C1CC1)C(=O)[O-] 49953660 167040260 /nfs/dbraw/zinc/04/02/60/167040260.db2.gz NUYKXMBTBYBIPY-VXNVDRBHSA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@@H](C)c1nc(N)n[nH]1 48630484 167040277 /nfs/dbraw/zinc/04/02/77/167040277.db2.gz NBDFRJZSOXFHIC-RXMQYKEDSA-N 0 0 154.217 1.291 10 0 ADAERN CCC[C@@H](CC)N[C@@H](C)C(=O)OC 50403506 167040485 /nfs/dbraw/zinc/04/04/85/167040485.db2.gz CNPXRMIBOPWJNB-DTWKUNHWSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@@H](CC)[NH2+]CC(=O)[O-] 50404518 167040673 /nfs/dbraw/zinc/04/06/73/167040673.db2.gz NWIGKMBGGNXHLK-SSDOTTSWSA-N 0 0 159.229 1.239 10 0 ADAERN CCC[C@@H](CCC[NH3+])C(=O)[O-] 139530769 167040941 /nfs/dbraw/zinc/04/09/41/167040941.db2.gz RNQFIALWYREPBF-ZETCQYMHSA-N 0 0 159.229 1.226 10 0 ADAERN CCC[C@@H](CC)NCC(=O)OCC 50404228 167041341 /nfs/dbraw/zinc/04/13/41/167041341.db2.gz FRGPWEPXHIUKDL-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN CCC[C@@H](CC)[NH2+]C[C@@H](C)C(=O)[O-] 50404186 167041497 /nfs/dbraw/zinc/04/14/97/167041497.db2.gz VFLYTJCJIRYPAN-RKDXNWHRSA-N 0 0 187.283 1.875 10 0 ADAERN CCC[C@@H](CC)N[C@H](C)C(=O)OC 50403511 167042218 /nfs/dbraw/zinc/04/22/18/167042218.db2.gz CNPXRMIBOPWJNB-RKDXNWHRSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@@H](CC)NCC(=O)OC 50404699 167042628 /nfs/dbraw/zinc/04/26/28/167042628.db2.gz VSGJLLPEULWNBV-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CCC[C@@H](CC)[NH2+]C[C@H](C)C(=O)[O-] 50404191 167042729 /nfs/dbraw/zinc/04/27/29/167042729.db2.gz VFLYTJCJIRYPAN-DTWKUNHWSA-N 0 0 187.283 1.875 10 0 ADAERN CCC[C@@H](CCSC)C(N)=O 5714356 167042808 /nfs/dbraw/zinc/04/28/08/167042808.db2.gz DLEJADYLYTUCHS-ZETCQYMHSA-N 0 0 175.297 1.641 10 0 ADAERN CCC[C@@H](F)C(F)(F)CO 37631091 167044319 /nfs/dbraw/zinc/04/43/19/167044319.db2.gz QIPBOXYKKREMIP-RXMQYKEDSA-N 0 0 156.147 1.752 10 0 ADAERN CCC[C@@H](N)C(=O)c1ccco1 82402591 167044337 /nfs/dbraw/zinc/04/43/37/167044337.db2.gz YDPSECJPUJLZHS-SSDOTTSWSA-N 0 0 167.208 1.590 10 0 ADAERN CCC[C@@H](N)C(=O)OCC(C)C 38251288 167044393 /nfs/dbraw/zinc/04/43/93/167044393.db2.gz GCPGQEQSARIDDV-MRVPVSSYSA-N 0 0 173.256 1.313 10 0 ADAERN CCC[C@@H](N)C(=O)OCCC(C)C 48636178 167045363 /nfs/dbraw/zinc/04/53/63/167045363.db2.gz PLSHPTTWOBFQNS-SECBINFHSA-N 0 0 187.283 1.703 10 0 ADAERN CCC[C@@H](N)c1nc(COC)no1 49671987 167047015 /nfs/dbraw/zinc/04/70/15/167047015.db2.gz SUYBBUJHRHUZBW-ZCFIWIBFSA-N 0 0 185.227 1.016 10 0 ADAERN Cc1nc(OC(C)C)ccc1CO 133944077 343930184 /nfs/dbraw/zinc/93/01/84/343930184.db2.gz LMGMMOIQGUXYKZ-UHFFFAOYSA-N 0 0 181.235 1.670 10 0 ADAERN CCC[C@@H](NCC1CC1)C(=O)OCC 37968285 167047551 /nfs/dbraw/zinc/04/75/51/167047551.db2.gz VIZSTFJOVJNSBR-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN CCC[C@@H](N)c1nc(C)no1 36830889 167047774 /nfs/dbraw/zinc/04/77/74/167047774.db2.gz WWXMZJSWJGHJRN-ZCFIWIBFSA-N 0 0 155.201 1.178 10 0 ADAERN CCC[C@@H](N)c1nc(C(C)C)no1 36830870 167047854 /nfs/dbraw/zinc/04/78/54/167047854.db2.gz FKEFUQIBHCASNH-SSDOTTSWSA-N 0 0 183.255 1.993 10 0 ADAERN CCC[C@@H]([NH3+])c1cc(=O)[n-]o1 39114911 167047908 /nfs/dbraw/zinc/04/79/08/167047908.db2.gz 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180.255 1.659 10 0 ADAERN CCC[C@H](C)[C@@H](C(=O)[O-])[NH+](C)C 49954292 167073529 /nfs/dbraw/zinc/07/35/29/167073529.db2.gz CFCJLZTWGJPUCF-YUMQZZPRSA-N 0 0 173.256 1.437 10 0 ADAERN CCC[C@H](C)[C@H](C(=O)[O-])[NH+](C)C 49954294 167073537 /nfs/dbraw/zinc/07/35/37/167073537.db2.gz CFCJLZTWGJPUCF-JGVFFNPUSA-N 0 0 173.256 1.437 10 0 ADAERN CCC[C@H](C)[C@H](O)C(C)=O 39069358 167073556 /nfs/dbraw/zinc/07/35/56/167073556.db2.gz BIUQEUDHRROKJH-XPUUQOCRSA-N 0 0 144.214 1.373 10 0 ADAERN CCC[C@H](C)[C@H](NC1CC1)C(=O)OC 49953695 167073588 /nfs/dbraw/zinc/07/35/88/167073588.db2.gz HZQDZPVUVILWJG-WPRPVWTQSA-N 0 0 199.294 1.716 10 0 ADAERN CCC[C@H](C)[C@@H]([NH2+]CC1CC1)C(=O)[O-] 49953977 167073593 /nfs/dbraw/zinc/07/35/93/167073593.db2.gz BSRZGEFXGRULSE-WCBMZHEXSA-N 0 0 199.294 1.875 10 0 ADAERN CCC[C@H](C)[C@@H](C(=O)[O-])[NH+]1CCCC1 49954300 167073647 /nfs/dbraw/zinc/07/36/47/167073647.db2.gz CJMALUBUZBKSKJ-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@H](C)[C@H]([NH2+]C1CC1)C(=O)[O-] 49953659 167073750 /nfs/dbraw/zinc/07/37/50/167073750.db2.gz NUYKXMBTBYBIPY-CBAPKCEASA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@H](C)[C@H](NCC)C(=O)OC 49953671 167073786 /nfs/dbraw/zinc/07/37/86/167073786.db2.gz JJVGCHIJGOECLC-IUCAKERBSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[C@H](C)c1nnc([C@@H](C)N)o1 50284311 167073846 /nfs/dbraw/zinc/07/38/46/167073846.db2.gz VIRIUCWULCEOQK-NKWVEPMBSA-N 0 0 183.255 1.993 10 0 ADAERN CCC[C@H](C)OC 14649363 167073884 /nfs/dbraw/zinc/07/38/84/167073884.db2.gz XSAJCGUYMQTAHL-LURJTMIESA-N 0 0 102.177 1.821 10 0 ADAERN CCC[C@H](C)c1nnc2n1CCNC2 53709788 167073944 /nfs/dbraw/zinc/07/39/44/167073944.db2.gz GTWMHVWQHBUTHP-QMMMGPOBSA-N 0 0 194.282 1.285 10 0 ADAERN CCC[C@H](C)[C@H]([NH2+]C)C(=O)[O-] 49953643 167074075 /nfs/dbraw/zinc/07/40/75/167074075.db2.gz GTMKRNQBSGZBCA-BQBZGAKWSA-N 0 0 159.229 1.095 10 0 ADAERN CCC[C@H](C)[C@@H]([NH2+]CC)C(=O)[O-] 49953649 167074091 /nfs/dbraw/zinc/07/40/91/167074091.db2.gz SKKHOFMHAUWINE-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN CCC[C@H](C)[C@@H](NC)C(=O)OCC 49953685 167074240 /nfs/dbraw/zinc/07/42/40/167074240.db2.gz YLXTZCZMHJRCHY-DTWKUNHWSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[C@H](C)[C@H]([NH2+]CC)C(=O)[O-] 49953647 167074290 /nfs/dbraw/zinc/07/42/90/167074290.db2.gz SKKHOFMHAUWINE-YUMQZZPRSA-N 0 0 173.256 1.485 10 0 ADAERN CCC[C@H](C)[C@]1(CC)NC(=O)NC1=O 59990654 167074300 /nfs/dbraw/zinc/07/43/00/167074300.db2.gz VGXMEVJSYQGESC-XVKPBYJWSA-N 0 0 198.266 1.411 10 0 ADAERN CCC[C@H](C)[C@H](NC)C(=O)OC 49953679 167074310 /nfs/dbraw/zinc/07/43/10/167074310.db2.gz VOQPFRHNJHFPIW-YUMQZZPRSA-N 0 0 173.256 1.184 10 0 ADAERN CCC[C@H](C)[C@H](C(=O)[O-])[NH+]1CCCC1 49954302 167074393 /nfs/dbraw/zinc/07/43/93/167074393.db2.gz CJMALUBUZBKSKJ-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@H](C)c1ncn(N)c1N 52838033 167074406 /nfs/dbraw/zinc/07/44/06/167074406.db2.gz XNLKYEXAWFOOJW-LURJTMIESA-N 0 0 168.244 1.083 10 0 ADAERN CCC[C@H](C)[C@@H]([NH2+]C1CC1)C(=O)[O-] 49953661 167074408 /nfs/dbraw/zinc/07/44/08/167074408.db2.gz NUYKXMBTBYBIPY-IONNQARKSA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@H](C)[C@@H](NC)C(=O)OC 49953681 167074415 /nfs/dbraw/zinc/07/44/15/167074415.db2.gz VOQPFRHNJHFPIW-JGVFFNPUSA-N 0 0 173.256 1.184 10 0 ADAERN CCC[C@H](C)c1nc(C)n(N)c1N 52838349 167074493 /nfs/dbraw/zinc/07/44/93/167074493.db2.gz TUEQHWBKLBTNQC-LURJTMIESA-N 0 0 182.271 1.391 10 0 ADAERN CCC[C@H](C)c1n[nH]c(=S)n1N 26516258 167074541 /nfs/dbraw/zinc/07/45/41/167074541.db2.gz FBKWUBFPMIRONL-YFKPBYRVSA-N 0 0 186.284 1.558 10 0 ADAERN CCC[C@H](C)[C@H]([NH2+]C(C)C)C(=O)[O-] 49953655 167074577 /nfs/dbraw/zinc/07/45/77/167074577.db2.gz NQSWOGHQWIOKBA-IUCAKERBSA-N 0 0 187.283 1.874 10 0 ADAERN CCC[C@H](C)c1nnc(CN)o1 50283494 167074680 /nfs/dbraw/zinc/07/46/80/167074680.db2.gz PUIGNNLHFRNZQC-LURJTMIESA-N 0 0 169.228 1.432 10 0 ADAERN CCC[C@H](C)C1N=NC(=S)N1 37404878 167074796 /nfs/dbraw/zinc/07/47/96/167074796.db2.gz RBGKUNSGRBVCAM-YFKPBYRVSA-N 0 0 171.269 1.997 10 0 ADAERN CCC[C@H](C)[C@H]([NH2+]CC1CC1)C(=O)[O-] 49953975 167074893 /nfs/dbraw/zinc/07/48/93/167074893.db2.gz BSRZGEFXGRULSE-WPRPVWTQSA-N 0 0 199.294 1.875 10 0 ADAERN CCC[C@H](C)[C@@H](O)CC(=O)OCC 52248831 167074902 /nfs/dbraw/zinc/07/49/02/167074902.db2.gz BVEWSQQHQZRLIC-IUCAKERBSA-N 0 0 188.267 1.737 10 0 ADAERN CCC[C@H](C)[C@@]1(CC)NC(=O)NC1=O 59990650 167075000 /nfs/dbraw/zinc/07/50/00/167075000.db2.gz VGXMEVJSYQGESC-OIBJUYFYSA-N 0 0 198.266 1.411 10 0 ADAERN CCC[C@H](CC(=O)OC)OC(C)=O 5649309 167075489 /nfs/dbraw/zinc/07/54/89/167075489.db2.gz ODICPWSNEYHYSJ-MRVPVSSYSA-N 0 0 188.223 1.281 10 0 ADAERN CCC[C@H](CC)NCC(=O)OC 50404701 167075976 /nfs/dbraw/zinc/07/59/76/167075976.db2.gz VSGJLLPEULWNBV-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN CCC[C@H](CC)N1C(=O)C=CC1=O 50405497 167075982 /nfs/dbraw/zinc/07/59/82/167075982.db2.gz JKAYVPYHVVTUDW-QMMMGPOBSA-N 0 0 181.235 1.490 10 0 ADAERN CCC[C@H](CC)N1CCC(=O)C1=O 50404900 167076023 /nfs/dbraw/zinc/07/60/23/167076023.db2.gz QOUJBBYESHSETA-QMMMGPOBSA-N 0 0 183.251 1.367 10 0 ADAERN CCC[C@H](CC)[NH2+]C[C@@H](C)C(=O)[O-] 50404188 167076070 /nfs/dbraw/zinc/07/60/70/167076070.db2.gz VFLYTJCJIRYPAN-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CCC[C@H](CC)[NH2+]C[C@H](C)C(=O)[O-] 50404193 167076274 /nfs/dbraw/zinc/07/62/74/167076274.db2.gz VFLYTJCJIRYPAN-IUCAKERBSA-N 0 0 187.283 1.875 10 0 ADAERN CCC[C@H](CC)N[C@H](C)C(=O)OC 50403513 167076300 /nfs/dbraw/zinc/07/63/00/167076300.db2.gz CNPXRMIBOPWJNB-BDAKNGLRSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@H](CC)NC(N)=S 50403134 167076371 /nfs/dbraw/zinc/07/63/71/167076371.db2.gz AQMMXEQCOIGZKE-LURJTMIESA-N 0 0 160.286 1.398 10 0 ADAERN CCC[C@H](CC)N[C@@H](C)C(=O)OC 50403509 167076697 /nfs/dbraw/zinc/07/66/97/167076697.db2.gz CNPXRMIBOPWJNB-IUCAKERBSA-N 0 0 187.283 1.716 10 0 ADAERN CCC[C@H](CCC[NH3+])C(=O)[O-] 139530915 167076701 /nfs/dbraw/zinc/07/67/01/167076701.db2.gz RNQFIALWYREPBF-SSDOTTSWSA-N 0 0 159.229 1.226 10 0 ADAERN CCC[C@H](CC)N1CCC(=O)C1 50404892 167076751 /nfs/dbraw/zinc/07/67/51/167076751.db2.gz OTAAUUGTVJRVEP-VIFPVBQESA-N 0 0 169.268 1.840 10 0 ADAERN CCC[C@H](CC)[NH2+]CC(=O)[O-] 50404520 167076759 /nfs/dbraw/zinc/07/67/59/167076759.db2.gz NWIGKMBGGNXHLK-ZETCQYMHSA-N 0 0 159.229 1.239 10 0 ADAERN CCC[C@H](CC)N1C(=O)C=C(C)C1=O 50405501 167077018 /nfs/dbraw/zinc/07/70/18/167077018.db2.gz ZAHGJNXMEPLQFZ-VIFPVBQESA-N 0 0 195.262 1.880 10 0 ADAERN CCC[C@H](CC)NCC(=O)OCC 50404230 167077206 /nfs/dbraw/zinc/07/72/06/167077206.db2.gz FRGPWEPXHIUKDL-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN CCC[C@H](CCSC)C(N)=O 5714516 167077266 /nfs/dbraw/zinc/07/72/66/167077266.db2.gz DLEJADYLYTUCHS-SSDOTTSWSA-N 0 0 175.297 1.641 10 0 ADAERN CCC[C@H](CC)NC(=O)CC(C)=O 50405480 167077273 /nfs/dbraw/zinc/07/72/73/167077273.db2.gz NZLYIRDGYGLJBV-VIFPVBQESA-N 0 0 185.267 1.660 10 0 ADAERN CCC[C@H](N)C(=O)c1ccco1 82402590 167077753 /nfs/dbraw/zinc/07/77/53/167077753.db2.gz YDPSECJPUJLZHS-ZETCQYMHSA-N 0 0 167.208 1.590 10 0 ADAERN CCC[C@H](F)C(F)(F)CO 37631089 167078058 /nfs/dbraw/zinc/07/80/58/167078058.db2.gz QIPBOXYKKREMIP-YFKPBYRVSA-N 0 0 156.147 1.752 10 0 ADAERN CCC[C@H](N)C(=O)OCCC(C)C 48636175 167079654 /nfs/dbraw/zinc/07/96/54/167079654.db2.gz PLSHPTTWOBFQNS-VIFPVBQESA-N 0 0 187.283 1.703 10 0 ADAERN CCC[C@H](N)C(=O)OCC(C)C 38251287 167079881 /nfs/dbraw/zinc/07/98/81/167079881.db2.gz GCPGQEQSARIDDV-QMMMGPOBSA-N 0 0 173.256 1.313 10 0 ADAERN CCC[C@H](N)c1nc(CCOC)no1 42436266 167080883 /nfs/dbraw/zinc/08/08/83/167080883.db2.gz PXLCFMVGXFIQDP-ZETCQYMHSA-N 0 0 199.254 1.058 10 0 ADAERN CCC[C@H](N)c1nc(COC)no1 49671986 167081237 /nfs/dbraw/zinc/08/12/37/167081237.db2.gz SUYBBUJHRHUZBW-LURJTMIESA-N 0 0 185.227 1.016 10 0 ADAERN CCC[C@H](N)c1nc(C2CC2)no1 36830902 167082695 /nfs/dbraw/zinc/08/26/95/167082695.db2.gz XLBSQZITUYDKAD-ZETCQYMHSA-N 0 0 181.239 1.747 10 0 ADAERN Cc1cccn2c(C)nc(CO)c12 134041986 343932134 /nfs/dbraw/zinc/93/21/34/343932134.db2.gz YGEXALJOOQHABC-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN CCC[C@H]([NH3+])c1cc(=O)[n-]o1 39114909 167083343 /nfs/dbraw/zinc/08/33/43/167083343.db2.gz QTBXZFHAHFYRBZ-YFKPBYRVSA-N 0 0 156.185 1.180 10 0 ADAERN CCC[C@H](N)c1nc(C(C)C)no1 36830868 167083615 /nfs/dbraw/zinc/08/36/15/167083615.db2.gz FKEFUQIBHCASNH-ZETCQYMHSA-N 0 0 183.255 1.993 10 0 ADAERN CCC[C@H](N)c1nc(CC)no1 36830883 167083804 /nfs/dbraw/zinc/08/38/04/167083804.db2.gz UAOSHYCMOYRMHC-LURJTMIESA-N 0 0 169.228 1.432 10 0 ADAERN CCC[C@H](N)c1nc(C)no1 36830887 167083824 /nfs/dbraw/zinc/08/38/24/167083824.db2.gz WWXMZJSWJGHJRN-LURJTMIESA-N 0 0 155.201 1.178 10 0 ADAERN Cc1cc(F)c(C(=O)C=O)cc1F 134041081 343932138 /nfs/dbraw/zinc/93/21/38/343932138.db2.gz LAZXGIYWFYCIOY-UHFFFAOYSA-N 0 0 184.141 1.655 10 0 ADAERN Cc1nc(CO)c2n1[C@H](C)CCC2 134042202 343932288 /nfs/dbraw/zinc/93/22/88/343932288.db2.gz HZPJFYDDOGCWGH-SSDOTTSWSA-N 0 0 180.251 1.581 10 0 ADAERN CCC[C@H](O)CO[C@@H](C)CC 50194109 167084333 /nfs/dbraw/zinc/08/43/33/167084333.db2.gz ZBZSKAMMBLDPNX-IUCAKERBSA-N 0 0 160.257 1.963 10 0 ADAERN CCC[C@H](O)COCCOCC 50193953 167084452 /nfs/dbraw/zinc/08/44/52/167084452.db2.gz UIUPCXDRVYYJLM-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN CCC[C@H](O)Cn1nc(C)c(C)c1C 50193756 167084487 /nfs/dbraw/zinc/08/44/87/167084487.db2.gz HOJVCAMEGJYMMT-NSHDSACASA-N 0 0 196.294 1.969 10 0 ADAERN CCC[C@H](O)[C@H](CC)OCCOC 44222205 167084530 /nfs/dbraw/zinc/08/45/30/167084530.db2.gz GTUJCSPNEAZSJE-UWVGGRQHSA-N 0 0 190.283 1.589 10 0 ADAERN CCC[C@H](O)COC[C@@H]1CCOC1 50194133 167084542 /nfs/dbraw/zinc/08/45/42/167084542.db2.gz XUEXMRGMDVALKN-ZJUUUORDSA-N 0 0 188.267 1.201 10 0 ADAERN CCC[C@H](O)C[C@H](O)CC 33966018 167084553 /nfs/dbraw/zinc/08/45/53/167084553.db2.gz WYNVIVRXHYGNRT-SFYZADRCSA-N 0 0 146.230 1.308 10 0 ADAERN CCC[C@H](O)CCC(=O)OCC 43372752 167084560 /nfs/dbraw/zinc/08/45/60/167084560.db2.gz IGGHVWXHUVEVEP-QMMMGPOBSA-N 0 0 174.240 1.491 10 0 ADAERN CCC[C@H](O)C[C@@H](O)CC 33966020 167084587 /nfs/dbraw/zinc/08/45/87/167084587.db2.gz WYNVIVRXHYGNRT-YUMQZZPRSA-N 0 0 146.230 1.308 10 0 ADAERN CCC[C@H](O)C1CC1 37465554 167084635 /nfs/dbraw/zinc/08/46/35/167084635.db2.gz WVALFCMAGSOASB-ZETCQYMHSA-N 0 0 114.188 1.557 10 0 ADAERN CCC[C@H](O)[C@@H](C)CC(=O)OC 43370400 167084649 /nfs/dbraw/zinc/08/46/49/167084649.db2.gz VAALMNMAAGHALU-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN CCC[C@H](O)Cc1nccn1CC 63038590 167084681 /nfs/dbraw/zinc/08/46/81/167084681.db2.gz OCSFAHQBZBXXJU-VIFPVBQESA-N 0 0 182.267 1.607 10 0 ADAERN CCC[C@H](O)CCc1cnn(C)c1 50543689 167084697 /nfs/dbraw/zinc/08/46/97/167084697.db2.gz HHAHBDFWZKLZIH-JTQLQIEISA-N 0 0 182.267 1.514 10 0 ADAERN CCC[C@H](O)CN1CCCCCC1=O 50193694 167084701 /nfs/dbraw/zinc/08/47/01/167084701.db2.gz SGGJNDCEUQGQLL-JTQLQIEISA-N 0 0 199.294 1.550 10 0 ADAERN CCC[C@H](O)CCc1cnn(CC)c1 50543691 167084742 /nfs/dbraw/zinc/08/47/42/167084742.db2.gz RZTHPUJHPLHPND-NSHDSACASA-N 0 0 196.294 1.997 10 0 ADAERN CCC[C@H](NN)[C@H](O)c1ccccc1 71296714 167084751 /nfs/dbraw/zinc/08/47/51/167084751.db2.gz MANTUFYPQQCHSR-WDEREUQCSA-N 0 0 194.278 1.352 10 0 ADAERN CCC[C@H](O)CCCOCC 49852188 167084799 /nfs/dbraw/zinc/08/47/99/167084799.db2.gz JBFLXJPYTIRMKQ-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN CCC[C@H](O)COCC1CC1 50194062 167084827 /nfs/dbraw/zinc/08/48/27/167084827.db2.gz CMPVHQPHWRIDQP-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CCC[C@H](O)[C@H]1CCCO1 37625140 167084834 /nfs/dbraw/zinc/08/48/34/167084834.db2.gz KQRWEUPIDARYMA-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCC[C@H](O)Cn1nc(C)cc1C 50193640 167084871 /nfs/dbraw/zinc/08/48/71/167084871.db2.gz YZDHUTANNIXDHE-JTQLQIEISA-N 0 0 182.267 1.661 10 0 ADAERN CCC[C@H](O)COC[C@H]1CCCO1 50193947 167084905 /nfs/dbraw/zinc/08/49/05/167084905.db2.gz BSSMUIPFNROSTB-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN CCC[C@H](O)[C@H](C)CC(=O)OC 43370402 167085041 /nfs/dbraw/zinc/08/50/41/167085041.db2.gz VAALMNMAAGHALU-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN CCC[C@H](O)COC[C@@H]1CCCO1 50193944 167085062 /nfs/dbraw/zinc/08/50/62/167085062.db2.gz BSSMUIPFNROSTB-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CCC[C@H](O)CO[C@H](C)CC 50194114 167085121 /nfs/dbraw/zinc/08/51/21/167085121.db2.gz ZBZSKAMMBLDPNX-BDAKNGLRSA-N 0 0 160.257 1.963 10 0 ADAERN CCC[C@H](NN)[C@@H](O)c1ccccc1 71296716 167085165 /nfs/dbraw/zinc/08/51/65/167085165.db2.gz MANTUFYPQQCHSR-QWRGUYRKSA-N 0 0 194.278 1.352 10 0 ADAERN CCC[C@H](O)Cc1cnn(CC)c1 50542089 167085193 /nfs/dbraw/zinc/08/51/93/167085193.db2.gz JAJNUJYCKGZCAX-JTQLQIEISA-N 0 0 182.267 1.607 10 0 ADAERN CCC[C@H](O)COC(C)C 50193976 167085234 /nfs/dbraw/zinc/08/52/34/167085234.db2.gz GFPVUDAELDVZSK-QMMMGPOBSA-N 0 0 146.230 1.572 10 0 ADAERN CCC[C@H](O)COCC 50193810 167085261 /nfs/dbraw/zinc/08/52/61/167085261.db2.gz LLZLUUBNRJXYED-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN CCC[C@H](O)[C@@H](CC)OCC 44193137 167085302 /nfs/dbraw/zinc/08/53/02/167085302.db2.gz INZBKTAJQQMBNO-DTWKUNHWSA-N 0 0 160.257 1.963 10 0 ADAERN CCC[C@H](O)[C@H](CC)OC 44192672 167085322 /nfs/dbraw/zinc/08/53/22/167085322.db2.gz PYRYVZKXUCPQMF-YUMQZZPRSA-N 0 0 146.230 1.572 10 0 ADAERN CCC[C@H](O)[C@H](CC)OCC 44193143 167085327 /nfs/dbraw/zinc/08/53/27/167085327.db2.gz INZBKTAJQQMBNO-IUCAKERBSA-N 0 0 160.257 1.963 10 0 ADAERN CCC[C@H](O)c1ccc(=O)[nH]c1C 72110149 167085409 /nfs/dbraw/zinc/08/54/09/167085409.db2.gz KXOMTJKMEGIGSP-VIFPVBQESA-N 0 0 181.235 1.517 10 0 in-vitro ADAERN CCC[C@H](O)COC1CCOCC1 50194130 167085415 /nfs/dbraw/zinc/08/54/15/167085415.db2.gz AOQPPNKZJVBKDG-VIFPVBQESA-N 0 0 188.267 1.343 10 0 ADAERN CCC[C@H](O)[C@@H]1CCCO1 37625138 167085464 /nfs/dbraw/zinc/08/54/64/167085464.db2.gz KQRWEUPIDARYMA-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN CCC[C@H](Nc1[nH+]ccn1C)C(=O)[O-] 50605120 167085554 /nfs/dbraw/zinc/08/55/54/167085554.db2.gz OIMWXIHNGZWRHN-ZETCQYMHSA-N 0 0 197.238 1.085 10 0 ADAERN CCC[C@H](O)C(C)(C)CO 3164160 167085607 /nfs/dbraw/zinc/08/56/07/167085607.db2.gz BGQUJDPWPVVEGV-ZETCQYMHSA-N 0 0 146.230 1.166 10 0 ADAERN CCC[C@H](O)Cn1ccccc1=O 50193662 167085622 /nfs/dbraw/zinc/08/56/22/167085622.db2.gz FZDVFQUINARRLA-VIFPVBQESA-N 0 0 181.235 1.009 10 0 ADAERN CCC[C@H](O)CCCCOC 37625679 167085671 /nfs/dbraw/zinc/08/56/71/167085671.db2.gz XUGUDNRCTUVPOH-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN CCC[C@H](O)Cn1nc(C)nc1C 50193774 167085751 /nfs/dbraw/zinc/08/57/51/167085751.db2.gz ZRUUHLJRQULILQ-VIFPVBQESA-N 0 0 183.255 1.056 10 0 ADAERN CCC[C@H](O)[C@H]1CCCC[C@H]1O 251352500 167085782 /nfs/dbraw/zinc/08/57/82/167085782.db2.gz QWTGFHHCNFIYOC-KXUCPTDWSA-N 0 0 172.268 1.699 10 0 ADAERN CCC[C@H](O)COC(C)(C)C 50194031 167085798 /nfs/dbraw/zinc/08/57/98/167085798.db2.gz QTBBLKAGNFUVTR-QMMMGPOBSA-N 0 0 160.257 1.963 10 0 ADAERN CCC[C@H](O)Cn1cccn1 50193665 167085808 /nfs/dbraw/zinc/08/58/08/167085808.db2.gz XDWXCQIOTFBGLO-QMMMGPOBSA-N 0 0 154.213 1.044 10 0 ADAERN CCC[C@H](O)[C@H](C)C(C)=O 37625878 167086018 /nfs/dbraw/zinc/08/60/18/167086018.db2.gz NQORAOWGAVMMJT-SVRRBLITSA-N 0 0 144.214 1.373 10 0 ADAERN CCC[C@H](O)CN1CCCCC1=O 50193716 167086046 /nfs/dbraw/zinc/08/60/46/167086046.db2.gz HNFJMCKBULYNEI-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN CCC[C@H](NC1CCCC1)C(=O)OC 37970302 167086055 /nfs/dbraw/zinc/08/60/55/167086055.db2.gz CNIFZNVJGDCHIX-JTQLQIEISA-N 0 0 199.294 1.860 10 0 ADAERN CCC[C@H](O)C[C@@H](C)C(=O)OC 43371815 167086092 /nfs/dbraw/zinc/08/60/92/167086092.db2.gz LYSQYOILLAXORN-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN CCC[C@H](O)Cc1ncc[nH]1 41043157 167086109 /nfs/dbraw/zinc/08/61/09/167086109.db2.gz UKOHMYVXVRXUBT-ZETCQYMHSA-N 0 0 154.213 1.113 10 0 ADAERN CCC[C@H](O)Cn1cc(C)cn1 50193747 167086147 /nfs/dbraw/zinc/08/61/47/167086147.db2.gz UPDJKQQDUDGJET-VIFPVBQESA-N 0 0 168.240 1.353 10 0 ADAERN CCC[C@H](O)[C@@H](CC)OCCOC 44222197 167086158 /nfs/dbraw/zinc/08/61/58/167086158.db2.gz GTUJCSPNEAZSJE-VHSXEESVSA-N 0 0 190.283 1.589 10 0 ADAERN CCC[C@H](NCC1CC1)C(=O)OCC 37968284 167086168 /nfs/dbraw/zinc/08/61/68/167086168.db2.gz VIZSTFJOVJNSBR-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN CCC[C@H](NCC1CC1)C(=O)OC 37967920 167086267 /nfs/dbraw/zinc/08/62/67/167086267.db2.gz QYMXZOCJEQGIBW-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN CCC[C@H](O)COCCOC(C)C 50194007 167086383 /nfs/dbraw/zinc/08/63/83/167086383.db2.gz WZKQZGOYYMSDTO-JTQLQIEISA-N 0 0 190.283 1.589 10 0 ADAERN CCC[C@H](O)Cc1cnn(C)c1 50542087 167086388 /nfs/dbraw/zinc/08/63/88/167086388.db2.gz WQJUOLLMUFMJGF-VIFPVBQESA-N 0 0 168.240 1.124 10 0 ADAERN CCC[C@H](O)CCCCO 39220779 167086393 /nfs/dbraw/zinc/08/63/93/167086393.db2.gz ZKRNQSNKDPEUOH-QMMMGPOBSA-N 0 0 146.230 1.310 10 0 ADAERN CCC[C@H](O)COCC(C)C 50193973 167086400 /nfs/dbraw/zinc/08/64/00/167086400.db2.gz BOFDRCBVBPXXFR-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN CCC[C@H](O)COCC(F)(F)F 50193807 167086424 /nfs/dbraw/zinc/08/64/24/167086424.db2.gz HZWUGDUAKZCNSL-LURJTMIESA-N 0 0 186.173 1.726 10 0 ADAERN CCC[C@H](O)CC(C)=O 37625875 167086488 /nfs/dbraw/zinc/08/64/88/167086488.db2.gz QSJHFVISBQRPRU-ZETCQYMHSA-N 0 0 130.187 1.127 10 0 ADAERN CCC[C@H](O)CCOC 42436405 167086506 /nfs/dbraw/zinc/08/65/06/167086506.db2.gz IUDJTMLUZOYYBA-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN CCC[C@H](O)CCC(=O)OC 43373191 167086517 /nfs/dbraw/zinc/08/65/17/167086517.db2.gz UYDNEXWZKNKGNJ-ZETCQYMHSA-N 0 0 160.213 1.101 10 0 ADAERN CCC[C@H](O)C[C@H](C)C(=O)OC 43371818 167086543 /nfs/dbraw/zinc/08/65/43/167086543.db2.gz LYSQYOILLAXORN-YUMQZZPRSA-N 0 0 174.240 1.347 10 0 ADAERN CCC[C@H](O)c1c[nH]cn1 39132502 167086549 /nfs/dbraw/zinc/08/65/49/167086549.db2.gz KZBUDURPSOFUFE-ZETCQYMHSA-N 0 0 140.186 1.243 10 0 ADAERN CCC[C@H](O)CCCOC 37625639 167086567 /nfs/dbraw/zinc/08/65/67/167086567.db2.gz MKSAIBXCLGGMEZ-QMMMGPOBSA-N 0 0 146.230 1.574 10 0 ADAERN CCC[C@H](O)[C@@H](CC)OC 44192666 167086617 /nfs/dbraw/zinc/08/66/17/167086617.db2.gz PYRYVZKXUCPQMF-JGVFFNPUSA-N 0 0 146.230 1.572 10 0 ADAERN CCC[C@H](O)[C@@H]1CCCC[C@H]1O 251352501 167086629 /nfs/dbraw/zinc/08/66/29/167086629.db2.gz QWTGFHHCNFIYOC-LPEHRKFASA-N 0 0 172.268 1.699 10 0 ADAERN CCC[C@H](O)Cn1c(C)cccc1=O 50193750 167086675 /nfs/dbraw/zinc/08/66/75/167086675.db2.gz SXKZXMXSFUOENA-JTQLQIEISA-N 0 0 195.262 1.318 10 0 ADAERN CCC[C@H](O)COC[C@H]1CCOC1 50194136 167086686 /nfs/dbraw/zinc/08/66/86/167086686.db2.gz XUEXMRGMDVALKN-UWVGGRQHSA-N 0 0 188.267 1.201 10 0 ADAERN CCC[C@H](O)COCCCOC 50193789 167086714 /nfs/dbraw/zinc/08/67/14/167086714.db2.gz GRBLDOUIIIZRNX-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN CCC[C@H](O)c1ccn(C)c1 78675528 167086880 /nfs/dbraw/zinc/08/68/80/167086880.db2.gz OYUVJLIWMSPSIG-VIFPVBQESA-N 0 0 153.225 1.859 10 0 ADAERN CCC[C@H]1C(=O)Oc2cccn21 39058466 167086892 /nfs/dbraw/zinc/08/68/92/167086892.db2.gz KCDKEGDAXKSYEZ-ZETCQYMHSA-N 0 0 165.192 1.748 10 0 ADAERN CCC[C@H]1C(=O)C[C@@H]1OCC 73733727 167086964 /nfs/dbraw/zinc/08/69/64/167086964.db2.gz ZZHSQJKHXSYBMQ-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN CCC[C@H]1CCC(=S)N1 37630884 167087126 /nfs/dbraw/zinc/08/71/26/167087126.db2.gz DAXBZJMOLDRJDX-LURJTMIESA-N 0 0 143.255 1.866 10 0 ADAERN CCC[C@H](O)c1ccncc1 37464812 167087132 /nfs/dbraw/zinc/08/71/32/167087132.db2.gz ROVFFIGUCBTDGW-VIFPVBQESA-N 0 0 151.209 1.915 10 0 ADAERN CCC[C@H]1CCC(=O)N1C(C)=O 37630420 167087135 /nfs/dbraw/zinc/08/71/35/167087135.db2.gz LWTIHEPSHAPZNN-QMMMGPOBSA-N 0 0 169.224 1.324 10 0 ADAERN CCC[C@H](O)c1cccnc1 34189414 167087214 /nfs/dbraw/zinc/08/72/14/167087214.db2.gz DDKXACMCFYQHAZ-VIFPVBQESA-N 0 0 151.209 1.915 10 0 ADAERN CCC[C@H]1CCO1 1724633 167087269 /nfs/dbraw/zinc/08/72/69/167087269.db2.gz KJPUWZVESPGSAG-LURJTMIESA-N 0 0 100.161 1.575 10 0 ADAERN CCC[C@H](O)c1cnn(C)c1 42268608 167087380 /nfs/dbraw/zinc/08/73/80/167087380.db2.gz FWCXQKLDVYMGRY-QMMMGPOBSA-N 0 0 154.213 1.254 10 0 ADAERN CCC[C@H]1C(=O)CCCN1C(=O)OC 150172957 167087386 /nfs/dbraw/zinc/08/73/86/167087386.db2.gz SRHAHWNZPTYRQQ-QMMMGPOBSA-N 0 0 199.250 1.586 10 0 ADAERN CCC[C@H]1CCCC(=O)N1 1715599 167087419 /nfs/dbraw/zinc/08/74/19/167087419.db2.gz JIGQDQXHKVNRJR-ZETCQYMHSA-N 0 0 141.214 1.455 10 0 ADAERN CCC[C@H](O)c1ccccn1 37464641 167087425 /nfs/dbraw/zinc/08/74/25/167087425.db2.gz MJHZYQACPXHORV-VIFPVBQESA-N 0 0 151.209 1.915 10 0 ADAERN CCC[C@H]1CCC(=O)OC1 38948730 167087448 /nfs/dbraw/zinc/08/74/48/167087448.db2.gz FTHJRZWIHWGZSJ-ZETCQYMHSA-N 0 0 142.198 1.740 10 0 ADAERN CCC[C@H]1C(=O)C[C@H]1OCC 73733722 167087511 /nfs/dbraw/zinc/08/75/11/167087511.db2.gz ZZHSQJKHXSYBMQ-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN CCC[C@H]1CCC(=O)N1 37630416 167087513 /nfs/dbraw/zinc/08/75/13/167087513.db2.gz IRGZEUUQSUZQJA-LURJTMIESA-N 0 0 127.187 1.065 10 0 ADAERN CCC[C@H]1CC[C@H](O)[C@H](OC)C1 5842969 167087526 /nfs/dbraw/zinc/08/75/26/167087526.db2.gz FLNSLKJOWVMPEE-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@H]1CC(=O)C(C)=C1O 39059546 167087531 /nfs/dbraw/zinc/08/75/31/167087531.db2.gz IQCMQLSNVWARPF-RQJHMYQMSA-N 0 0 154.209 1.581 10 0 ADAERN CCC[C@H]1CCCCN1C=O 39062757 167087587 /nfs/dbraw/zinc/08/75/87/167087587.db2.gz IHBPVPJMTWJHSV-VIFPVBQESA-N 0 0 155.241 1.797 10 0 ADAERN CCC[C@H]1C=CC(=O)O1 5842863 167087599 /nfs/dbraw/zinc/08/75/99/167087599.db2.gz CLCLZCBNFSGUOD-LURJTMIESA-N 0 0 126.155 1.268 10 0 ADAERN CCC[C@H]1CCC[C@@H]1O 43656093 167087620 /nfs/dbraw/zinc/08/76/20/167087620.db2.gz MGXMHKAEHINZOI-YUMQZZPRSA-N 0 0 128.215 1.948 10 0 ADAERN CCC[C@H]1CCCN(N)C1 77260413 167087664 /nfs/dbraw/zinc/08/76/64/167087664.db2.gz LDAOUYKPTSJGSA-QMMMGPOBSA-N 0 0 142.246 1.372 10 0 ADAERN CCC[C@H]1CC(=O)O1 34112260 167087680 /nfs/dbraw/zinc/08/76/80/167087680.db2.gz VLGDSNWNOFYURG-YFKPBYRVSA-N 0 0 114.144 1.102 10 0 ADAERN CCC[C@H]1C(=O)CCN1C 82409936 167087856 /nfs/dbraw/zinc/08/78/56/167087856.db2.gz GARNCJIBQLGPAZ-ZETCQYMHSA-N 0 0 141.214 1.060 10 0 ADAERN CCC[C@H]1CCC[C@H]1C(=O)NC 336237065 167087963 /nfs/dbraw/zinc/08/79/63/167087963.db2.gz BOHBETCKVISMRF-DTWKUNHWSA-N 0 0 169.268 1.949 10 0 ADAERN CCC[C@H]1CC=C(C(=O)[O-])C[NH2+]1 13823733 167088150 /nfs/dbraw/zinc/08/81/50/167088150.db2.gz QVSTYNPAJYQWDR-QMMMGPOBSA-N 0 0 169.224 1.159 10 0 ADAERN CCC[C@H]1CC2(CCC1=O)OCCO2 95774261 167088224 /nfs/dbraw/zinc/08/82/24/167088224.db2.gz 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40957897 167097754 /nfs/dbraw/zinc/09/77/54/167097754.db2.gz SAOPRENKNUEDTR-LBPRGKRZSA-N 0 0 192.280 1.098 10 0 ADAERN CCC[C@]1(C)C=CC(=O)N1 35962183 167097784 /nfs/dbraw/zinc/09/77/84/167097784.db2.gz IGSOEEAUFOQXDV-MRVPVSSYSA-N 0 0 139.198 1.231 10 0 ADAERN CCC[S@@](=O)CCCC(=O)OC 40957908 167097831 /nfs/dbraw/zinc/09/78/31/167097831.db2.gz WFRTUXNKNKXFPX-LBPRGKRZSA-N 0 0 192.280 1.098 10 0 ADAERN CCCc1cc(NCC)ncn1 40765531 167098355 /nfs/dbraw/zinc/09/83/55/167098355.db2.gz UGLVLCQTCSNMNJ-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN CCCc1cc(CO)no1 26547724 167098370 /nfs/dbraw/zinc/09/83/70/167098370.db2.gz RMNNBPOQMALBAV-UHFFFAOYSA-N 0 0 141.170 1.119 10 0 ADAERN CCCc1cc(O)ccc1N 39067771 167098446 /nfs/dbraw/zinc/09/84/46/167098446.db2.gz FNSWIZFPPREPQL-UHFFFAOYSA-N 0 0 151.209 1.927 10 0 ADAERN CCCc1cc(N)nc(CCC)n1 50845759 167098514 /nfs/dbraw/zinc/09/85/14/167098514.db2.gz CDQFSLNTJCWPAD-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN CCCc1cc(NC)no1 95091077 167098603 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FMJNJDVLTSSZHB-UHFFFAOYSA-N 0 0 196.641 1.959 10 0 ADAERN CCCc1ccc2nc(C)cn2n1 90423912 167108188 /nfs/dbraw/zinc/10/81/88/167108188.db2.gz GOYSBSGOYXENKD-UHFFFAOYSA-N 0 0 175.235 1.990 10 0 ADAERN CCCc1csc(NC(=O)NC)n1 307201036 167108231 /nfs/dbraw/zinc/10/82/31/167108231.db2.gz DQJDDVIJKLGIOT-UHFFFAOYSA-N 0 0 199.279 1.847 10 0 ADAERN CCCc1nc([C@@H]2C[C@@H]2C)n[nH]1 41057428 167108246 /nfs/dbraw/zinc/10/82/46/167108246.db2.gz WFBGPPFQRNAMCD-NKWVEPMBSA-N 0 0 165.240 1.881 10 0 ADAERN CCCc1nc(C(C)C)n[nH]1 44376574 167108258 /nfs/dbraw/zinc/10/82/58/167108258.db2.gz PUYKRCIDGWQTFD-UHFFFAOYSA-N 0 0 153.229 1.881 10 0 ADAERN CCCc1nnc(CC(F)(F)F)[nH]1 41057440 167108305 /nfs/dbraw/zinc/10/83/05/167108305.db2.gz RSDKZIGGQUTOGL-UHFFFAOYSA-N 0 0 193.172 1.862 10 0 ADAERN CCCc1cnc2nccn2c1 39306353 167108320 /nfs/dbraw/zinc/10/83/20/167108320.db2.gz JYLGVBBHVYXRBK-UHFFFAOYSA-N 0 0 161.208 1.682 10 0 ADAERN CCCc1nc([C@H]2C[C@H]2C)n[nH]1 41057434 167108326 /nfs/dbraw/zinc/10/83/26/167108326.db2.gz WFBGPPFQRNAMCD-RQJHMYQMSA-N 0 0 165.240 1.881 10 0 ADAERN Cc1cccc(C[C@@H]2CCNC2=O)n1 133843373 343928285 /nfs/dbraw/zinc/92/82/85/343928285.db2.gz VJJHSISNZXEHBW-VIFPVBQESA-N 0 0 190.246 1.069 10 0 ADAERN CCCc1nc(N)cc(Cl)n1 72204515 167108551 /nfs/dbraw/zinc/10/85/51/167108551.db2.gz HAZFBOMBFWOELC-UHFFFAOYSA-N 0 0 171.631 1.665 10 0 ADAERN CCCc1nc(C2CC2)n(N)c1N 52838944 167108595 /nfs/dbraw/zinc/10/85/95/167108595.db2.gz YHLLVCYVPHJZLO-UHFFFAOYSA-N 0 0 180.255 1.009 10 0 ADAERN CCCc1nc(N)nc(Cl)n1 2034736 167108608 /nfs/dbraw/zinc/10/86/08/167108608.db2.gz UWJDXCSJNFALGW-UHFFFAOYSA-N 0 0 172.619 1.060 10 0 ADAERN CCCc1nc(N)cc(OCC)n1 82482930 167108613 /nfs/dbraw/zinc/10/86/13/167108613.db2.gz NAAXDUQLUGVEBH-UHFFFAOYSA-N 0 0 181.239 1.410 10 0 ADAERN CCCc1[nH]c(=NN)sc1CC 43560002 167108643 /nfs/dbraw/zinc/10/86/43/167108643.db2.gz QHGPWEHYBOHIKP-UHFFFAOYSA-N 0 0 185.296 1.944 10 0 ADAERN COC(=O)/C=C1/CS[C@H](C)C1 133853678 343928287 /nfs/dbraw/zinc/92/82/87/343928287.db2.gz ARBOZQYNJQACGV-LTYDNXFVSA-N 0 0 172.249 1.611 10 0 ADAERN CCCc1nc(C)cc(NC)n1 50848573 167108737 /nfs/dbraw/zinc/10/87/37/167108737.db2.gz OHQAGRBIQVEWBC-UHFFFAOYSA-N 0 0 165.240 1.779 10 0 ADAERN CCCc1nc(N)c2c(n1)CCC2 50844673 167108849 /nfs/dbraw/zinc/10/88/49/167108849.db2.gz NVWQYXFCRUQIGQ-UHFFFAOYSA-N 0 0 177.251 1.500 10 0 ADAERN Cc1ncc(C[C@H]2CCNC2=O)s1 133845229 343928288 /nfs/dbraw/zinc/92/82/88/343928288.db2.gz YGLBLONRHMPRQK-SSDOTTSWSA-N 0 0 196.275 1.130 10 0 ADAERN CCCc1nc(NC)cc(OCC)n1 82482879 167108955 /nfs/dbraw/zinc/10/89/55/167108955.db2.gz KWNKBQVXAVTFPH-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN CCCc1nc(C2CC2)c(N)n1N 52839327 167108979 /nfs/dbraw/zinc/10/89/79/167108979.db2.gz MWTNVJDTLWUVIM-UHFFFAOYSA-N 0 0 180.255 1.009 10 0 ADAERN CCCc1nc(CNC(C)C)no1 51860910 167108992 /nfs/dbraw/zinc/10/89/92/167108992.db2.gz HPLAPHXEZYOUHR-UHFFFAOYSA-N 0 0 183.255 1.520 10 0 ADAERN CCCc1nc(-c2ncc[nH]2)no1 306396104 167109028 /nfs/dbraw/zinc/10/90/28/167109028.db2.gz GOGSPSLBAKLWGP-UHFFFAOYSA-N 0 0 178.195 1.412 10 0 ADAERN CCCc1nc(C=O)c[nH]1 38220178 167109079 /nfs/dbraw/zinc/10/90/79/167109079.db2.gz RJJUHCRCATVRBK-UHFFFAOYSA-N 0 0 138.170 1.175 10 0 ADAERN CCCc1nc(C(C)(C)C)n(N)c1N 52839613 167109124 /nfs/dbraw/zinc/10/91/24/167109124.db2.gz PZUWFPSCICPBCX-UHFFFAOYSA-N 0 0 196.298 1.429 10 0 ADAERN CCCc1nc(N)n(C2CCCC2)n1 54404710 167109171 /nfs/dbraw/zinc/10/91/71/167109171.db2.gz KRGUSUDORVEYBO-UHFFFAOYSA-N 0 0 194.282 1.928 10 0 ADAERN CCCc1nc(C)c[nH]c1=O 39113406 167109175 /nfs/dbraw/zinc/10/91/75/167109175.db2.gz NKCYOKSWWIYQHQ-UHFFFAOYSA-N 0 0 152.197 1.031 10 0 ADAERN CCCc1nc(C)c(C)c(=O)[nH]1 35287851 167109260 /nfs/dbraw/zinc/10/92/60/167109260.db2.gz OMOINPCFCMSASJ-UHFFFAOYSA-N 0 0 166.224 1.339 10 0 ADAERN CCCc1nc(C)sc1N 50308145 167109354 /nfs/dbraw/zinc/10/93/54/167109354.db2.gz PJIVMJIZVXTXCP-UHFFFAOYSA-N 0 0 156.254 1.986 10 0 ADAERN CCCc1nc(CC(C)C)c(N)n1N 52839295 167109407 /nfs/dbraw/zinc/10/94/07/167109407.db2.gz CENSRVAAGCWFJU-UHFFFAOYSA-N 0 0 196.298 1.330 10 0 ADAERN CCCc1nc(N)n(C(C)(C)C)n1 54404678 167109459 /nfs/dbraw/zinc/10/94/59/167109459.db2.gz DVKWAJAKNJUOSV-UHFFFAOYSA-N 0 0 182.271 1.568 10 0 ADAERN CCCc1nc(N)c(C(=O)OCC)[nH]1 39084457 167109539 /nfs/dbraw/zinc/10/95/39/167109539.db2.gz ZFYZXVPRXLUXSG-UHFFFAOYSA-N 0 0 197.238 1.121 10 0 ADAERN CCCC1=NC(=O)CS1 44119308 167109573 /nfs/dbraw/zinc/10/95/73/167109573.db2.gz UILANPWXSYAMKV-UHFFFAOYSA-N 0 0 143.211 1.801 10 0 ADAERN CCCc1nc(C(C)=O)c[nH]1 83254241 167109611 /nfs/dbraw/zinc/10/96/11/167109611.db2.gz ISEXOBCCILEILZ-UHFFFAOYSA-N 0 0 152.197 1.565 10 0 ADAERN CCCc1nc(N)n(CCC)n1 54404709 167109674 /nfs/dbraw/zinc/10/96/74/167109674.db2.gz FLEYCIFNRJRDHK-UHFFFAOYSA-N 0 0 168.244 1.223 10 0 ADAERN CCCc1nc(SC)[nH]c(=O)c1C 13468375 167109676 /nfs/dbraw/zinc/10/96/76/167109676.db2.gz CSVQAHKYLYOGDX-UHFFFAOYSA-N 0 0 198.291 1.753 10 0 ADAERN CCCc1nc(C(C)C)cc(=O)[nH]1 36915827 167109711 /nfs/dbraw/zinc/10/97/11/167109711.db2.gz XVXXXVOCOZGHFW-UHFFFAOYSA-N 0 0 180.251 1.846 10 0 ADAERN CCCc1nc(N)n(C(C)C)n1 54404703 167109753 /nfs/dbraw/zinc/10/97/53/167109753.db2.gz VLKZOOYNGHLNDK-UHFFFAOYSA-N 0 0 168.244 1.394 10 0 ADAERN CCCc1nc([C@@H](C)CC)c(N)n1N 52839319 167109761 /nfs/dbraw/zinc/10/97/61/167109761.db2.gz AWLPGRSAKCOLGP-ZETCQYMHSA-N 0 0 196.298 1.645 10 0 ADAERN CCCc1nc(N)nc(SC)n1 72417651 167109884 /nfs/dbraw/zinc/10/98/84/167109884.db2.gz STVSQNBSLIAUNE-UHFFFAOYSA-N 0 0 184.268 1.128 10 0 ADAERN CCCc1nc(N)n([C@H](C)C2CC2)n1 54404707 167109914 /nfs/dbraw/zinc/10/99/14/167109914.db2.gz UKDIOTKVZKDRSA-SSDOTTSWSA-N 0 0 194.282 1.784 10 0 ADAERN CCCc1nc(N)n([C@H](C)CC)n1 54404702 167109971 /nfs/dbraw/zinc/10/99/71/167109971.db2.gz DSFCLZGCWPXSDI-SSDOTTSWSA-N 0 0 182.271 1.784 10 0 ADAERN CCCc1nc(N)oc1CC 50266255 167109997 /nfs/dbraw/zinc/10/99/97/167109997.db2.gz HKMPDSKEIMJOKU-UHFFFAOYSA-N 0 0 154.213 1.772 10 0 ADAERN CCCc1nc(CC)c(CO)[nH]1 196347054 167110015 /nfs/dbraw/zinc/11/00/15/167110015.db2.gz YHIACIIYLQJCED-UHFFFAOYSA-N 0 0 168.240 1.417 10 0 ADAERN CCCc1nc(C(C)(C)C)c(N)n1N 52839324 167110033 /nfs/dbraw/zinc/11/00/33/167110033.db2.gz ZQEBSOJPEXXDSP-UHFFFAOYSA-N 0 0 196.298 1.429 10 0 ADAERN CCCc1nc(C=O)cs1 37974049 167110084 /nfs/dbraw/zinc/11/00/84/167110084.db2.gz OYNMOBCHQRDBPB-UHFFFAOYSA-N 0 0 155.222 1.908 10 0 ADAERN CCCc1nc(C)c(CC)c(N)n1 50845450 167110159 /nfs/dbraw/zinc/11/01/59/167110159.db2.gz GYUNJXFYGJOOIX-UHFFFAOYSA-N 0 0 179.267 1.882 10 0 ADAERN CCCc1nc(C(C)C)n(N)c1N 52839852 167110221 /nfs/dbraw/zinc/11/02/21/167110221.db2.gz BOHYHQACTCYRTI-UHFFFAOYSA-N 0 0 182.271 1.255 10 0 ADAERN CCCc1nc(CC)cc(=O)[nH]1 36915826 167110308 /nfs/dbraw/zinc/11/03/08/167110308.db2.gz UNKPKCLCMPQPQQ-UHFFFAOYSA-N 0 0 166.224 1.285 10 0 ADAERN CCCc1nc(C)cc(N)n1 50845145 167110324 /nfs/dbraw/zinc/11/03/24/167110324.db2.gz OPPOHTLLGBRJKG-UHFFFAOYSA-N 0 0 151.213 1.320 10 0 ADAERN CCCc1nc(N)n([C@@H](C)CC)n1 54404701 167110395 /nfs/dbraw/zinc/11/03/95/167110395.db2.gz DSFCLZGCWPXSDI-ZETCQYMHSA-N 0 0 182.271 1.784 10 0 ADAERN CCCc1nc(C)c(C)c(N)n1 45628392 167110463 /nfs/dbraw/zinc/11/04/63/167110463.db2.gz HQOYPHXVSOZYPY-UHFFFAOYSA-N 0 0 165.240 1.628 10 0 ADAERN CCCc1nc(Cl)c(C=O)[nH]1 33961513 167110611 /nfs/dbraw/zinc/11/06/11/167110611.db2.gz FWVVPZWPVIJGRU-UHFFFAOYSA-N 0 0 172.615 1.828 10 0 ADAERN CCCc1nc(C(C)=O)c(C)[nH]1 39415128 167110631 /nfs/dbraw/zinc/11/06/31/167110631.db2.gz WXFQRFAPEICWRJ-UHFFFAOYSA-N 0 0 166.224 1.873 10 0 ADAERN CCCc1nc(-c2ccon2)no1 307744441 167110671 /nfs/dbraw/zinc/11/06/71/167110671.db2.gz OROHBTLCNBMYQH-UHFFFAOYSA-N 0 0 179.179 1.677 10 0 ADAERN CCCc1nc(N(C)C)no1 306346250 167110725 /nfs/dbraw/zinc/11/07/25/167110725.db2.gz QUGGUOXLUUCUQX-UHFFFAOYSA-N 0 0 155.201 1.088 10 0 ADAERN CCCc1nc(C(=O)OC)c(CC)[nH]1 34746306 167110837 /nfs/dbraw/zinc/11/08/37/167110837.db2.gz XFYQBFXCDZFUQS-UHFFFAOYSA-N 0 0 196.250 1.711 10 0 ADAERN CCCc1nc(C=O)c(CC)[nH]1 34537847 167110884 /nfs/dbraw/zinc/11/08/84/167110884.db2.gz RVDSTNUDGGIGFN-UHFFFAOYSA-N 0 0 166.224 1.737 10 0 ADAERN CCCc1nc(C=O)c(C)[nH]1 39236939 167110983 /nfs/dbraw/zinc/11/09/83/167110983.db2.gz CHUGUCQQTLHMKZ-UHFFFAOYSA-N 0 0 152.197 1.483 10 0 ADAERN CCCc1nc(N)cc(CC)n1 50846301 167111028 /nfs/dbraw/zinc/11/10/28/167111028.db2.gz XSRDAVVFOAQHBZ-UHFFFAOYSA-N 0 0 165.240 1.574 10 0 ADAERN CCCc1nc(N)n(CC(C)C)n1 54404685 167111079 /nfs/dbraw/zinc/11/10/79/167111079.db2.gz IKOHNSXZGXIHBS-UHFFFAOYSA-N 0 0 182.271 1.469 10 0 ADAERN CCCc1nc(C)c(N)c(C)n1 77261852 167111095 /nfs/dbraw/zinc/11/10/95/167111095.db2.gz MVAFGQWEGRWOMS-UHFFFAOYSA-N 0 0 165.240 1.628 10 0 ADAERN CCCc1nc(C(C)C)c(N)n1N 52839306 167111123 /nfs/dbraw/zinc/11/11/23/167111123.db2.gz OWSGJUUPKPLPCH-UHFFFAOYSA-N 0 0 182.271 1.255 10 0 ADAERN CCCc1nc(NCC)cc(OC)n1 82482666 167111151 /nfs/dbraw/zinc/11/11/51/167111151.db2.gz DSQCCDSALXXAHD-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN CCCc1nc(N)n([C@@H](C)C2CC2)n1 54404706 167111289 /nfs/dbraw/zinc/11/12/89/167111289.db2.gz UKDIOTKVZKDRSA-ZETCQYMHSA-N 0 0 194.282 1.784 10 0 ADAERN CCCc1nc(C)c(CC)c(=O)[nH]1 35287852 167111325 /nfs/dbraw/zinc/11/13/25/167111325.db2.gz KUNQFARDDXDOMG-UHFFFAOYSA-N 0 0 180.251 1.593 10 0 ADAERN CCCc1nc(CO)cs1 36761504 167111357 /nfs/dbraw/zinc/11/13/57/167111357.db2.gz RPPOJEFDGPQTCV-UHFFFAOYSA-N 0 0 157.238 1.588 10 0 ADAERN CCCc1nc(CNC2CC2)no1 51861351 167111366 /nfs/dbraw/zinc/11/13/66/167111366.db2.gz BDVINFAVEBRCSB-UHFFFAOYSA-N 0 0 181.239 1.274 10 0 ADAERN CCCc1nc(NC)cc(OC)n1 82482665 167111424 /nfs/dbraw/zinc/11/14/24/167111424.db2.gz MUOLWIYGKCZEMA-UHFFFAOYSA-N 0 0 181.239 1.479 10 0 ADAERN CCCc1nc(N)cc(COC)n1 51697310 167111449 /nfs/dbraw/zinc/11/14/49/167111449.db2.gz KSWUWQANFYFHGS-UHFFFAOYSA-N 0 0 181.239 1.158 10 0 ADAERN CCCc1nc(N)cc(OC)n1 39641303 167111533 /nfs/dbraw/zinc/11/15/33/167111533.db2.gz OBGZQLYYNCTVMX-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN CCCc1nc(O)c(CCC)c(=O)[nH]1 35287833 167111545 /nfs/dbraw/zinc/11/15/45/167111545.db2.gz SMSFDVHVAFWPNY-UHFFFAOYSA-N 0 0 196.250 1.381 10 0 ADAERN CCCc1nc(COC)cc(NC)n1 51697454 167111564 /nfs/dbraw/zinc/11/15/64/167111564.db2.gz NYHIPBAAJZTGLK-UHFFFAOYSA-N 0 0 195.266 1.617 10 0 ADAERN CCCc1nc(CCC)n(N)c1N 52839293 167111576 /nfs/dbraw/zinc/11/15/76/167111576.db2.gz YYGPMHSBRBWJHZ-UHFFFAOYSA-N 0 0 182.271 1.084 10 0 ADAERN CCCc1nc(C)oc1OC 39089258 167111588 /nfs/dbraw/zinc/11/15/88/167111588.db2.gz MMTXVCJJFXKQAX-UHFFFAOYSA-N 0 0 155.197 1.944 10 0 ADAERN CCCc1nc(N)c2c(n1)CCCC2 50846848 167111628 /nfs/dbraw/zinc/11/16/28/167111628.db2.gz VHFXTCSOUQFPAM-UHFFFAOYSA-N 0 0 191.278 1.890 10 0 ADAERN CCCc1nc([C@H](C)CC)c(N)n1N 52839320 167112113 /nfs/dbraw/zinc/11/21/13/167112113.db2.gz AWLPGRSAKCOLGP-SSDOTTSWSA-N 0 0 196.298 1.645 10 0 ADAERN CCCc1nc2c(c(=O)[nH]1)CCC2 42401198 167112187 /nfs/dbraw/zinc/11/21/87/167112187.db2.gz DYDYCEXWCUGGNU-UHFFFAOYSA-N 0 0 178.235 1.211 10 0 ADAERN CCCc1nc2cc(N)cnc2o1 71485552 167112291 /nfs/dbraw/zinc/11/22/91/167112291.db2.gz YBJIPEYXVWVRGY-UHFFFAOYSA-N 0 0 177.207 1.758 10 0 ADAERN CCCc1nc[nH]c1C 5424064 167112323 /nfs/dbraw/zinc/11/23/23/167112323.db2.gz DMMJOFFEWKZGST-UHFFFAOYSA-N 0 0 124.187 1.671 10 0 ADAERN CCCc1nc2cnc(N)cc2n1C 83253645 167112418 /nfs/dbraw/zinc/11/24/18/167112418.db2.gz FVJKFVFGBABHBB-UHFFFAOYSA-N 0 0 190.250 1.503 10 0 ADAERN CCCc1nc2cc[nH]cc-2n1 70801601 167112427 /nfs/dbraw/zinc/11/24/27/167112427.db2.gz KYYMSVYUONLYNF-UHFFFAOYSA-N 0 0 161.208 1.910 10 0 ADAERN CCCc1nc([C@H]2CCCCN2)no1 48285390 167112498 /nfs/dbraw/zinc/11/24/98/167112498.db2.gz ARWVEPGVDQISME-MRVPVSSYSA-N 0 0 195.266 1.837 10 0 ADAERN CCCc1nc2nc(N)ccc2[nH]1 83824636 167112640 /nfs/dbraw/zinc/11/26/40/167112640.db2.gz WWWPKOISYVKXKW-UHFFFAOYSA-N 0 0 176.223 1.493 10 0 ADAERN C[C@H](Nc1ccnn1C)C1CC1 134293599 343939193 /nfs/dbraw/zinc/93/91/93/343939193.db2.gz GLRYFKHSBUUJOC-ZETCQYMHSA-N 0 0 165.240 1.631 10 0 ADAERN CCCc1nc2cc(N)cnc2n1C 82534069 167113057 /nfs/dbraw/zinc/11/30/57/167113057.db2.gz PNMHEYFTQASEQN-UHFFFAOYSA-N 0 0 190.250 1.503 10 0 ADAERN CCCc1nc2ncc(N)cc2o1 74327651 167113065 /nfs/dbraw/zinc/11/30/65/167113065.db2.gz XRIUNHDWAMUJBA-UHFFFAOYSA-N 0 0 177.207 1.758 10 0 ADAERN CCCc1nc2n(c1CC)CCNC2 62605504 167113150 /nfs/dbraw/zinc/11/31/50/167113150.db2.gz ZXQHCONOHHVFOL-UHFFFAOYSA-N 0 0 193.294 1.501 10 0 ADAERN CCCc1nc2cccnc2[nH]1 39233924 167113174 /nfs/dbraw/zinc/11/31/74/167113174.db2.gz QDDCHASDSHHKLY-UHFFFAOYSA-N 0 0 161.208 1.910 10 0 ADAERN CCCc1nc2cc(N)cnc2[nH]1 74330122 167113206 /nfs/dbraw/zinc/11/32/06/167113206.db2.gz ORXXWRXHTCZSOY-UHFFFAOYSA-N 0 0 176.223 1.493 10 0 ADAERN CCCc1nc2c(c(=O)[nH]1)CCCC2 42404116 167113423 /nfs/dbraw/zinc/11/34/23/167113423.db2.gz CMZAZFAQZOWJFB-UHFFFAOYSA-N 0 0 192.262 1.601 10 0 ADAERN CCCc1nc2cc[nH]c(=O)c2[nH]1 38810345 167113475 /nfs/dbraw/zinc/11/34/75/167113475.db2.gz SDFSSPVHQLUNTP-UHFFFAOYSA-N 0 0 177.207 1.204 10 0 ADAERN CCCc1nc([C@@H]2CCCCN2)no1 48285388 167113526 /nfs/dbraw/zinc/11/35/26/167113526.db2.gz ARWVEPGVDQISME-QMMMGPOBSA-N 0 0 195.266 1.837 10 0 ADAERN CCCc1nc2c(c(NC)n1)CCC2 50847630 167113700 /nfs/dbraw/zinc/11/37/00/167113700.db2.gz QIZCAXWMUVIGKC-UHFFFAOYSA-N 0 0 191.278 1.960 10 0 ADAERN CCCc1oc(C)cc(=O)c1O 27194028 167114087 /nfs/dbraw/zinc/11/40/87/167114087.db2.gz MXVOQRVMUZXLTN-UHFFFAOYSA-N 0 0 168.192 1.606 10 0 ADAERN CCCc1noc([C@H]2CCC[NH2+]2)n1 36915799 167114133 /nfs/dbraw/zinc/11/41/33/167114133.db2.gz YGNGWEZXIQQGRA-SSDOTTSWSA-N 0 0 181.239 1.447 10 0 ADAERN CCCn1c(C)c(N)c(=O)n1C(C)C 40933557 167114303 /nfs/dbraw/zinc/11/43/03/167114303.db2.gz GLACGRNLEAYSBT-UHFFFAOYSA-N 0 0 197.282 1.531 10 0 ADAERN CCCc1noc([C@@H](C)NC)n1 55359224 167114322 /nfs/dbraw/zinc/11/43/22/167114322.db2.gz LLJPROBRIKDITQ-ZCFIWIBFSA-N 0 0 169.228 1.303 10 0 ADAERN CCCc1ocnc1C(=O)OCC 43304439 167114340 /nfs/dbraw/zinc/11/43/40/167114340.db2.gz MGIFQJMFGCGBLF-UHFFFAOYSA-N 0 0 183.207 1.804 10 0 ADAERN CCCc1nnc2ccc(N)c(C)n12 36252493 167114343 /nfs/dbraw/zinc/11/43/43/167114343.db2.gz HUAWWSRTVUUGMK-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CCCc1oncc1C(=O)OCC 34364515 167114359 /nfs/dbraw/zinc/11/43/59/167114359.db2.gz UDYDMDUOZZSLRX-UHFFFAOYSA-N 0 0 183.207 1.804 10 0 ADAERN CCCc1occc1C(=O)NC 306362639 167114362 /nfs/dbraw/zinc/11/43/62/167114362.db2.gz UHHDDNVSFBZSGP-UHFFFAOYSA-N 0 0 167.208 1.592 10 0 ADAERN CCCc1nnc([C@H](C)N)o1 50284271 167114366 /nfs/dbraw/zinc/11/43/66/167114366.db2.gz PORUPGIZSMJYGH-YFKPBYRVSA-N 0 0 155.201 1.042 10 0 ADAERN CCCc1oc(=O)cc(OC)c1C 13365991 167114388 /nfs/dbraw/zinc/11/43/88/167114388.db2.gz UBZPWMGPLMVDNO-UHFFFAOYSA-N 0 0 182.219 1.909 10 0 ADAERN CCCn1c(C(C)C)c(N)c(=O)n1C 40933442 167114508 /nfs/dbraw/zinc/11/45/08/167114508.db2.gz MWCIZZRDMGBNPQ-UHFFFAOYSA-N 0 0 197.282 1.302 10 0 ADAERN CCCc1nsc(N2CC(C)C2)n1 306577553 167114524 /nfs/dbraw/zinc/11/45/24/167114524.db2.gz VLVPVXMUWPMJQU-UHFFFAOYSA-N 0 0 197.307 1.947 10 0 ADAERN CCCc1noc(CC(C)=O)n1 45895066 167114564 /nfs/dbraw/zinc/11/45/64/167114564.db2.gz UPQLDNXTNOIPFR-UHFFFAOYSA-N 0 0 168.196 1.154 10 0 ADAERN CCCn1c(=O)oc2c(N)cccc21 20266717 167114663 /nfs/dbraw/zinc/11/46/63/167114663.db2.gz ACEIXRBAVYBWJX-UHFFFAOYSA-N 0 0 192.218 1.587 10 0 ADAERN CCCc1nnc2c(N)c(C)ccn12 36251958 167114685 /nfs/dbraw/zinc/11/46/85/167114685.db2.gz HZQOTAPDQABWKX-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CCCn1c(=O)c(N)c(CC)n1CC 40933268 167114787 /nfs/dbraw/zinc/11/47/87/167114787.db2.gz GZDDUXUFZUUQMD-UHFFFAOYSA-N 0 0 197.282 1.224 10 0 ADAERN CCCc1nnc2c(N)ccc(C)n12 36242521 167114830 /nfs/dbraw/zinc/11/48/30/167114830.db2.gz QCVGKSZRZDZSKU-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CCCc1nnc2c(C)cc(N)cn12 36241290 167114845 /nfs/dbraw/zinc/11/48/45/167114845.db2.gz NUUROSAGBMBEHE-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CCCc1nnc2ccc(N)cn12 19753804 167114887 /nfs/dbraw/zinc/11/48/87/167114887.db2.gz GYYXRVKWMZMARI-UHFFFAOYSA-N 0 0 176.223 1.264 10 0 ADAERN CCCc1noc(C(C)(C)NC)n1 61151399 167114904 /nfs/dbraw/zinc/11/49/04/167114904.db2.gz MKFRNMLANNIKOA-UHFFFAOYSA-N 0 0 183.255 1.477 10 0 ADAERN CCCc1noc(N)c1CC 26512409 167114942 /nfs/dbraw/zinc/11/49/42/167114942.db2.gz HXABYKVBZUKEFH-UHFFFAOYSA-N 0 0 154.213 1.772 10 0 ADAERN CCCc1noc(NCCOC)n1 53751097 167114968 /nfs/dbraw/zinc/11/49/68/167114968.db2.gz SLDMMXNQRYFFSL-UHFFFAOYSA-N 0 0 185.227 1.080 10 0 ADAERN CCCc1nnc([C@@H](C)N)o1 50284270 167115004 /nfs/dbraw/zinc/11/50/04/167115004.db2.gz PORUPGIZSMJYGH-RXMQYKEDSA-N 0 0 155.201 1.042 10 0 ADAERN CCCc1noc2c1CCN2 3704099 167115009 /nfs/dbraw/zinc/11/50/09/167115009.db2.gz ZSLWXPKNNRSNOX-UHFFFAOYSA-N 0 0 152.197 1.595 10 0 ADAERN CCCc1noc([C@@H]2CCOC2)n1 306709047 167115016 /nfs/dbraw/zinc/11/50/16/167115016.db2.gz OUDKXSLZOOVGFW-SSDOTTSWSA-N 0 0 182.223 1.526 10 0 ADAERN CCCn1c(C(C)=O)cnc1C 39071898 167115071 /nfs/dbraw/zinc/11/50/71/167115071.db2.gz SVTRAWODTXIBEZ-UHFFFAOYSA-N 0 0 166.224 1.804 10 0 ADAERN CCCn1c(C)c(N)c(=O)n1CCC 42372762 167115188 /nfs/dbraw/zinc/11/51/88/167115188.db2.gz BKPMDACUNUVFGR-UHFFFAOYSA-N 0 0 197.282 1.360 10 0 ADAERN CCCc1noc([C@@H]2CCCO2)n1 306214826 167115300 /nfs/dbraw/zinc/11/53/00/167115300.db2.gz HDCQGWCNHGYCCT-ZETCQYMHSA-N 0 0 182.223 1.874 10 0 ADAERN CCCc1oncc1C(=O)OC 39956226 167115318 /nfs/dbraw/zinc/11/53/18/167115318.db2.gz VPOHABXYHGFANR-UHFFFAOYSA-N 0 0 169.180 1.414 10 0 ADAERN CCCc1noc(-c2ccon2)n1 307013809 167115397 /nfs/dbraw/zinc/11/53/97/167115397.db2.gz MBBXDASZQJJCJY-UHFFFAOYSA-N 0 0 179.179 1.677 10 0 ADAERN CCCc1noc(-c2cc[nH]n2)n1 45894656 167115428 /nfs/dbraw/zinc/11/54/28/167115428.db2.gz YHHXLKNVDZTNLZ-UHFFFAOYSA-N 0 0 178.195 1.412 10 0 ADAERN CCCc1noc([C@@H](N)CC)n1 36915782 167115508 /nfs/dbraw/zinc/11/55/08/167115508.db2.gz VSMXZGFNGJXBOT-LURJTMIESA-N 0 0 169.228 1.432 10 0 ADAERN CCCc1oc(=O)cc(OC)c1CO 13365982 167115553 /nfs/dbraw/zinc/11/55/53/167115553.db2.gz ZWMLESXRXFUSQE-UHFFFAOYSA-N 0 0 198.218 1.093 10 0 ADAERN CCCc1nnc2c(N)cc(C)cn12 31862815 167115567 /nfs/dbraw/zinc/11/55/67/167115567.db2.gz BVCPKCBTBVJGFY-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CCCc1noc([C@@H](N)C2CC2)n1 54503045 167115579 /nfs/dbraw/zinc/11/55/79/167115579.db2.gz CWFMTTVUYWYNLF-QMMMGPOBSA-N 0 0 181.239 1.432 10 0 ADAERN CCCc1nscc1C=O 95930077 167115624 /nfs/dbraw/zinc/11/56/24/167115624.db2.gz WKNQALNXOUUNCH-UHFFFAOYSA-N 0 0 155.222 1.908 10 0 ADAERN CCCc1nsc(NC(C)=O)n1 307341493 167115633 /nfs/dbraw/zinc/11/56/33/167115633.db2.gz ZLLILFWTKQWHNX-UHFFFAOYSA-N 0 0 185.252 1.449 10 0 ADAERN CCCc1nnc2n1N[C@H](C)CS2 36150374 167115679 /nfs/dbraw/zinc/11/56/79/167115679.db2.gz KMESSDHLTVMSLL-ZCFIWIBFSA-N 0 0 198.295 1.268 10 0 ADAERN CCCn1c(C(=O)[O-])c[nH+]c1C 77602077 167115685 /nfs/dbraw/zinc/11/56/85/167115685.db2.gz XZGFUIMXIZBDOZ-UHFFFAOYSA-N 0 0 168.196 1.300 10 0 ADAERN CCCn1c(=O)[nH]c2ccc(F)cc21 95924131 167115738 /nfs/dbraw/zinc/11/57/38/167115738.db2.gz DZPISMAXRLBBKY-UHFFFAOYSA-N 0 0 194.209 1.879 10 0 ADAERN CCCc1nnc2cc(C)c(N)cn12 36252144 167115766 /nfs/dbraw/zinc/11/57/66/167115766.db2.gz WPNYQLADAZAZCN-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN CCCn1[nH]c2ccccc2c1=O 107084582 167115839 /nfs/dbraw/zinc/11/58/39/167115839.db2.gz VEYDZCOPXFSOMF-UHFFFAOYSA-N 0 0 176.219 1.740 10 0 ADAERN CCCc1noc(CNC2CC2)n1 37396152 167115862 /nfs/dbraw/zinc/11/58/62/167115862.db2.gz ADAVQPRTLHQGCJ-UHFFFAOYSA-N 0 0 181.239 1.274 10 0 ADAERN CCCc1noc([C@@H](CC)NC)n1 44626080 167115953 /nfs/dbraw/zinc/11/59/53/167115953.db2.gz UJKZTGFGHXIWMC-SSDOTTSWSA-N 0 0 183.255 1.693 10 0 ADAERN CCCc1noc(CNC(C)C)n1 37396142 167115986 /nfs/dbraw/zinc/11/59/86/167115986.db2.gz CLSPQIMQYPLSAI-UHFFFAOYSA-N 0 0 183.255 1.520 10 0 ADAERN CCCc1noc(CC(=O)OCC)n1 57353495 167116052 /nfs/dbraw/zinc/11/60/52/167116052.db2.gz XVZXIHAICILEGK-UHFFFAOYSA-N 0 0 198.222 1.128 10 0 ADAERN CCCc1noc([C@H]2CCOC2)n1 306709048 167116074 /nfs/dbraw/zinc/11/60/74/167116074.db2.gz OUDKXSLZOOVGFW-ZETCQYMHSA-N 0 0 182.223 1.526 10 0 ADAERN CCCc1nnc2ccncc2n1 26500106 167116092 /nfs/dbraw/zinc/11/60/92/167116092.db2.gz KZSXWJWFVZWSGY-UHFFFAOYSA-N 0 0 174.207 1.372 10 0 ADAERN CCCc1noc(-c2cc(C)[nH]n2)n1 45894660 167116127 /nfs/dbraw/zinc/11/61/27/167116127.db2.gz OBXAQQJSEIJEMO-UHFFFAOYSA-N 0 0 192.222 1.721 10 0 ADAERN CCCc1noc([C@H]2CCCO2)n1 306214824 167116141 /nfs/dbraw/zinc/11/61/41/167116141.db2.gz HDCQGWCNHGYCCT-SSDOTTSWSA-N 0 0 182.223 1.874 10 0 ADAERN CCCc1onc(C)c1N 77260261 167116189 /nfs/dbraw/zinc/11/61/89/167116189.db2.gz CFOIFGBCDZABEN-UHFFFAOYSA-N 0 0 140.186 1.518 10 0 ADAERN CCCc1noc(CNCC)n1 44315444 167116211 /nfs/dbraw/zinc/11/62/11/167116211.db2.gz QIRPMRYGMGUXBG-UHFFFAOYSA-N 0 0 169.228 1.132 10 0 ADAERN CCn1cccc1C[C@H]1CCC(=O)N1 134320234 343939213 /nfs/dbraw/zinc/93/92/13/343939213.db2.gz IKVNRDQSUUNIAU-SECBINFHSA-N 0 0 192.262 1.329 10 0 ADAERN CCCn1c(=O)[nH]c2cc(F)ccc21 95924134 167116246 /nfs/dbraw/zinc/11/62/46/167116246.db2.gz UHBUJGVPIKZEGR-UHFFFAOYSA-N 0 0 194.209 1.879 10 0 ADAERN CCCc1nnsc1C(N)=S 83341312 167116256 /nfs/dbraw/zinc/11/62/56/167116256.db2.gz HCROKGGKRJZKLB-UHFFFAOYSA-N 0 0 187.293 1.125 10 0 ADAERN CCCc1nnc2c(N)cccn12 31862647 167116284 /nfs/dbraw/zinc/11/62/84/167116284.db2.gz XUQZGDJBMIPEGE-UHFFFAOYSA-N 0 0 176.223 1.264 10 0 ADAERN CCCc1noc(C2(C)COC2)n1 306572795 167116301 /nfs/dbraw/zinc/11/63/01/167116301.db2.gz PJLUQPDMIZTOBF-UHFFFAOYSA-N 0 0 182.223 1.310 10 0 ADAERN CCCn1c(=O)c(N)c(C(C)C)n1C 40927375 167116358 /nfs/dbraw/zinc/11/63/58/167116358.db2.gz QZCNXKUIQGHWGX-UHFFFAOYSA-N 0 0 197.282 1.302 10 0 ADAERN CCCn1c(C(C)C)n[nH]c1=O 39104377 167116404 /nfs/dbraw/zinc/11/64/04/167116404.db2.gz QETPBAIQNQAQFA-UHFFFAOYSA-N 0 0 169.228 1.105 10 0 ADAERN CCCn1c(=O)cc[nH]c1=S 71618142 167116458 /nfs/dbraw/zinc/11/64/58/167116458.db2.gz JXDGGKVSZWPQGP-UHFFFAOYSA-N 0 0 170.237 1.316 10 0 ADAERN CCCc1nncn1C1CC1 17998137 167116546 /nfs/dbraw/zinc/11/65/46/167116546.db2.gz MGULDPJFNVUKFA-UHFFFAOYSA-N 0 0 151.213 1.566 10 0 ADAERN CCCc1occc1C(=O)N(C)C 335579717 167116551 /nfs/dbraw/zinc/11/65/51/167116551.db2.gz WBEKEOSMDHVOHU-UHFFFAOYSA-N 0 0 181.235 1.934 10 0 ADAERN CCCc1nnc2n1N[C@@H](C)CS2 36150378 167116566 /nfs/dbraw/zinc/11/65/66/167116566.db2.gz KMESSDHLTVMSLL-LURJTMIESA-N 0 0 198.295 1.268 10 0 ADAERN CCCc1nnc([C@H](N)CC)o1 61497092 167116567 /nfs/dbraw/zinc/11/65/67/167116567.db2.gz KHJYYWSVIXEKSF-ZCFIWIBFSA-N 0 0 169.228 1.432 10 0 ADAERN CCCn1c(=O)oc2cccc(N)c21 74405369 167116610 /nfs/dbraw/zinc/11/66/10/167116610.db2.gz VYLMASLVUUVWLA-UHFFFAOYSA-N 0 0 192.218 1.587 10 0 ADAERN CCCc1occc1C(N)=O 307057421 167116640 /nfs/dbraw/zinc/11/66/40/167116640.db2.gz YKPZKDVTCCDKIB-UHFFFAOYSA-N 0 0 153.181 1.331 10 0 ADAERN CCCc1noc(NC)n1 53750077 167116671 /nfs/dbraw/zinc/11/66/71/167116671.db2.gz HBQHYJFNNLFRDP-UHFFFAOYSA-N 0 0 141.174 1.064 10 0 ADAERN CCCn1c(=O)[nH]c2cnccc21 90448410 167116673 /nfs/dbraw/zinc/11/66/73/167116673.db2.gz NMRQQDBROYGLAX-UHFFFAOYSA-N 0 0 177.207 1.135 10 0 ADAERN CCCc1noc([C@@H](N)C(C)C)n1 36915747 167116691 /nfs/dbraw/zinc/11/66/91/167116691.db2.gz BSESPFYPSCSVOU-QMMMGPOBSA-N 0 0 183.255 1.678 10 0 ADAERN CCCc1nnc([C@@H](N)CC)o1 61497095 167116733 /nfs/dbraw/zinc/11/67/33/167116733.db2.gz KHJYYWSVIXEKSF-LURJTMIESA-N 0 0 169.228 1.432 10 0 ADAERN CCCc1noc(C(C)(C)N)n1 40911448 167116748 /nfs/dbraw/zinc/11/67/48/167116748.db2.gz GVPUCXCVXBYVFW-UHFFFAOYSA-N 0 0 169.228 1.216 10 0 ADAERN CCCc1nnc2ccc(Cl)nn12 34962793 167116858 /nfs/dbraw/zinc/11/68/58/167116858.db2.gz OIMBLHIVZXGALZ-UHFFFAOYSA-N 0 0 196.641 1.730 10 0 ADAERN CCCn1cc(CCCO)cn1 26547240 167117291 /nfs/dbraw/zinc/11/72/91/167117291.db2.gz KBOCKOXAZXHPPN-UHFFFAOYSA-N 0 0 168.240 1.218 10 0 ADAERN CCCn1c(N)cc(N)nc1=S 34497099 167117417 /nfs/dbraw/zinc/11/74/17/167117417.db2.gz DMSUVAUEEHZWAM-UHFFFAOYSA-N 0 0 184.268 1.187 10 0 ADAERN CCCn1cc([C@@H](O)CCOC)cn1 43468688 167117511 /nfs/dbraw/zinc/11/75/11/167117511.db2.gz AFDBNKOPQVRMFU-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN CCCn1c(C)nc2cc(N)cnc21 82534067 167117528 /nfs/dbraw/zinc/11/75/28/167117528.db2.gz BKFRYTHOURATGL-UHFFFAOYSA-N 0 0 190.250 1.732 10 0 ADAERN CCCn1c(C)cnc1C=O 39062207 167117647 /nfs/dbraw/zinc/11/76/47/167117647.db2.gz IJRPXNVDZXIPOP-UHFFFAOYSA-N 0 0 152.197 1.414 10 0 ADAERN CCCn1cc([C@H](C)O)cn1 26546728 167117650 /nfs/dbraw/zinc/11/76/50/167117650.db2.gz YIANVSWBCZTCGI-ZETCQYMHSA-N 0 0 154.213 1.346 10 0 ADAERN CCCn1cc(C(C)(C)O)cn1 43467513 167117855 /nfs/dbraw/zinc/11/78/55/167117855.db2.gz ASEKGFAUVLAUFY-UHFFFAOYSA-N 0 0 168.240 1.521 10 0 ADAERN CCCn1c(C=O)ccc1CO 64633868 167117861 /nfs/dbraw/zinc/11/78/61/167117861.db2.gz DPZNMIQXNXMOMU-UHFFFAOYSA-N 0 0 167.208 1.203 10 0 in-vitro ADAERN CCCn1cc(C(=O)COC)cn1 43468246 167117945 /nfs/dbraw/zinc/11/79/45/167117945.db2.gz ZDBQQNAIXVQFPB-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN CCCn1cc([C@H](O)C(C)C)cn1 43468508 167117958 /nfs/dbraw/zinc/11/79/58/167117958.db2.gz UDGNTOOYQCSYCM-SNVBAGLBSA-N 0 0 182.267 1.983 10 0 ADAERN CCCn1cc(C)cc(C=O)c1=O 75569262 167117964 /nfs/dbraw/zinc/11/79/64/167117964.db2.gz JEUVSWCBZQBHHO-UHFFFAOYSA-N 0 0 179.219 1.379 10 0 ADAERN CCCn1c(CO)nc(C)c1C 45205794 167118003 /nfs/dbraw/zinc/11/80/03/167118003.db2.gz XURPBMHTCVTPDE-UHFFFAOYSA-N 0 0 168.240 1.402 10 0 ADAERN CCCn1cc([C@@H](O)C(C)C)cn1 43468510 167118022 /nfs/dbraw/zinc/11/80/22/167118022.db2.gz UDGNTOOYQCSYCM-JTQLQIEISA-N 0 0 182.267 1.983 10 0 ADAERN CCCn1cc([C@@H](O)C2CC2)cn1 43468569 167118094 /nfs/dbraw/zinc/11/80/94/167118094.db2.gz BTORSNYJOXATOG-JTQLQIEISA-N 0 0 180.251 1.737 10 0 ADAERN CC(C)[C@H](C)Nc1ccnn1C 134295631 343939219 /nfs/dbraw/zinc/93/92/19/343939219.db2.gz UJSRNSLBGUMOFO-QMMMGPOBSA-N 0 0 167.256 1.877 10 0 ADAERN CCCn1cc([C@@](C)(O)C2CC2)cn1 43467540 167118130 /nfs/dbraw/zinc/11/81/30/167118130.db2.gz GZMQURIFGNMVCN-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN CCCn1cc([C@H](O)C2CC2)cn1 43468567 167118221 /nfs/dbraw/zinc/11/82/21/167118221.db2.gz BTORSNYJOXATOG-SNVBAGLBSA-N 0 0 180.251 1.737 10 0 ADAERN CCCn1cc([C@](C)(O)CC)cn1 43467519 167118298 /nfs/dbraw/zinc/11/82/98/167118298.db2.gz HBSDQNHTXVMOBN-SNVBAGLBSA-N 0 0 182.267 1.911 10 0 ADAERN CCCn1c(C)cc2n[nH]cc2c1=O 72416710 167118560 /nfs/dbraw/zinc/11/85/60/167118560.db2.gz WSKPHAXFOOMVOD-UHFFFAOYSA-N 0 0 191.234 1.443 10 0 ADAERN CCCn1cc([C@H](O)CCOC)cn1 43468686 167118620 /nfs/dbraw/zinc/11/86/20/167118620.db2.gz AFDBNKOPQVRMFU-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN CCCn1cc(C(=O)CC)cn1 26545704 167118626 /nfs/dbraw/zinc/11/86/26/167118626.db2.gz NSLHWYHJNMVRDE-UHFFFAOYSA-N 0 0 166.224 1.886 10 0 ADAERN CCCn1cc(N)c(C2CC2)n1 20314625 167118661 /nfs/dbraw/zinc/11/86/61/167118661.db2.gz HYXTWEWAIBJWEF-UHFFFAOYSA-N 0 0 165.240 1.753 10 0 ADAERN CCCn1c(CC)c(N)c(=O)n1CC 41043696 167118937 /nfs/dbraw/zinc/11/89/37/167118937.db2.gz ALDLJWHACVSLNE-UHFFFAOYSA-N 0 0 197.282 1.224 10 0 ADAERN CCCn1cc(N)cc1C(=O)OCC 39084204 167118968 /nfs/dbraw/zinc/11/89/68/167118968.db2.gz ZWDXLHJHKZVFQZ-UHFFFAOYSA-N 0 0 196.250 1.657 10 0 ADAERN CCCn1ccc(=O)c(O)c1CC 5649559 167118981 /nfs/dbraw/zinc/11/89/81/167118981.db2.gz FKIQYJKMNFKPFA-UHFFFAOYSA-N 0 0 181.235 1.526 10 0 ADAERN CCCn1cc(C(=O)C2CC2)cn1 43468174 167118988 /nfs/dbraw/zinc/11/89/88/167118988.db2.gz WYMPJWNVNYIWNI-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN CCCn1c(C=O)nc(C)c1C 45205793 167118996 /nfs/dbraw/zinc/11/89/96/167118996.db2.gz HIPVFMVFFLGDBY-UHFFFAOYSA-N 0 0 166.224 1.722 10 0 ADAERN CCCn1cc(NCC)ccc1=O 37774538 167119004 /nfs/dbraw/zinc/11/90/04/167119004.db2.gz UKJSYLXCVUXVBO-UHFFFAOYSA-N 0 0 180.251 1.690 10 0 ADAERN CCCn1cc([C@@H](C)O)cn1 26546725 167119301 /nfs/dbraw/zinc/11/93/01/167119301.db2.gz YIANVSWBCZTCGI-SSDOTTSWSA-N 0 0 154.213 1.346 10 0 ADAERN CCCn1cc(C)cn1 40927449 167119310 /nfs/dbraw/zinc/11/93/10/167119310.db2.gz PFGFNYQYISMNJD-UHFFFAOYSA-N 0 0 124.187 1.602 10 0 ADAERN CCCn1c(C)cc(C(=O)CO)c1C 40449605 167119429 /nfs/dbraw/zinc/11/94/29/167119429.db2.gz PERHJAXSUWMLLO-UHFFFAOYSA-N 0 0 195.262 1.690 10 0 ADAERN CCCn1cc([C@H](C)C(=O)OC)cn1 52248375 167119433 /nfs/dbraw/zinc/11/94/33/167119433.db2.gz OXDXOWFWEOVDCC-QMMMGPOBSA-N 0 0 196.250 1.570 10 0 ADAERN CCCn1cc([C@@H](C)C(=O)OC)cn1 52248374 167119606 /nfs/dbraw/zinc/11/96/06/167119606.db2.gz OXDXOWFWEOVDCC-MRVPVSSYSA-N 0 0 196.250 1.570 10 0 ADAERN CCCn1cc(CC(=O)OCC)cn1 52248368 167119612 /nfs/dbraw/zinc/11/96/12/167119612.db2.gz NSOOYNSDJYNXAE-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN CCCn1cc(C(=O)CCOC)cn1 43468234 167119647 /nfs/dbraw/zinc/11/96/47/167119647.db2.gz UZTKBSPDPHYAAK-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN CCCn1c(N(C)C)n[nH]c1=S 21950388 167119657 /nfs/dbraw/zinc/11/96/57/167119657.db2.gz LCSKIWRHOHWZGK-UHFFFAOYSA-N 0 0 186.284 1.417 10 0 ADAERN Cc1ncsc1C[C@@H]1CCC(=O)N1 134321367 343939227 /nfs/dbraw/zinc/93/92/27/343939227.db2.gz PYSSCNRDTZZYJP-ZETCQYMHSA-N 0 0 196.275 1.273 10 0 ADAERN CCCn1c(C)cnc1CO 39080611 167119687 /nfs/dbraw/zinc/11/96/87/167119687.db2.gz HPIVXQDOMJVNME-UHFFFAOYSA-N 0 0 154.213 1.094 10 0 ADAERN CCCn1cc[nH]c(=S)c1=O 61752733 167119721 /nfs/dbraw/zinc/11/97/21/167119721.db2.gz AYTKYDPPRUKYQQ-UHFFFAOYSA-N 0 0 170.237 1.316 10 0 ADAERN CC[C@@H](C)Nc1ccnn1C 134295560 343939228 /nfs/dbraw/zinc/93/92/28/343939228.db2.gz VQTVQJBUVKSTHQ-SSDOTTSWSA-N 0 0 153.229 1.631 10 0 ADAERN CCCn1c(=O)cc[nH]c1=S 255003888 167119826 /nfs/dbraw/zinc/11/98/26/167119826.db2.gz DYPYXALSKSKFOA-UHFFFAOYSA-N 0 0 170.237 1.728 10 0 ADAERN CCCn1cc(N)cc1C(=O)NCC 36860926 167119915 /nfs/dbraw/zinc/11/99/15/167119915.db2.gz MZONJHPDFDMOKL-UHFFFAOYSA-N 0 0 195.266 1.230 10 0 ADAERN CCCn1cc([C@](C)(O)C2CC2)cn1 43467539 167119940 /nfs/dbraw/zinc/11/99/40/167119940.db2.gz GZMQURIFGNMVCN-LLVKDONJSA-N 0 0 194.278 1.911 10 0 ADAERN CCCn1cc([C@@](C)(O)CC)cn1 43467521 167119966 /nfs/dbraw/zinc/11/99/66/167119966.db2.gz HBSDQNHTXVMOBN-JTQLQIEISA-N 0 0 182.267 1.911 10 0 ADAERN CCCn1cc(NC)cn1 72209873 167119998 /nfs/dbraw/zinc/11/99/98/167119998.db2.gz DRFMCJYFTZIZCG-UHFFFAOYSA-N 0 0 139.202 1.335 10 0 ADAERN CCCn1c(C)cc(=O)n2nccc12 334960167 167119999 /nfs/dbraw/zinc/11/99/99/167119999.db2.gz GATVDOCESHHRFP-UHFFFAOYSA-N 0 0 191.234 1.214 10 0 ADAERN CCCn1cc(N)cc1C(=O)N(C)C 36861570 167120000 /nfs/dbraw/zinc/12/00/00/167120000.db2.gz XGXSKIUVYZSHPM-UHFFFAOYSA-N 0 0 195.266 1.182 10 0 ADAERN CCCn1cnc(C)c1 32167280 167120264 /nfs/dbraw/zinc/12/02/64/167120264.db2.gz SCHMIVXQOZZUFW-UHFFFAOYSA-N 0 0 124.187 1.602 10 0 ADAERN CCCn1cccc(C(C)=O)c1=O 82663407 167120318 /nfs/dbraw/zinc/12/03/18/167120318.db2.gz SRRLXWMDZKRXAF-UHFFFAOYSA-N 0 0 179.219 1.461 10 0 ADAERN CCCn1ccnc(NC2CC2)c1=O 61762000 167120450 /nfs/dbraw/zinc/12/04/50/167120450.db2.gz CNGKUHUDXTWFDK-UHFFFAOYSA-N 0 0 193.250 1.228 10 0 ADAERN CCCn1ccnc1[C@@H](C)O 39080606 167120462 /nfs/dbraw/zinc/12/04/62/167120462.db2.gz IFCIOSZEJXKVIY-SSDOTTSWSA-N 0 0 154.213 1.346 10 0 ADAERN CCCn1cnn(C(C)(C)C)c1=O 307657372 167120493 /nfs/dbraw/zinc/12/04/93/167120493.db2.gz CPLMQFCVZVBJDJ-UHFFFAOYSA-N 0 0 183.255 1.210 10 0 ADAERN CCCn1cnc(Cl)c1 91366018 167120668 /nfs/dbraw/zinc/12/06/68/167120668.db2.gz TZWCMHSBPUAJAG-UHFFFAOYSA-N 0 0 144.605 1.947 10 0 ADAERN CCCn1cnc(C)c1CO 39080610 167120752 /nfs/dbraw/zinc/12/07/52/167120752.db2.gz CDTUTLRSUYWELV-UHFFFAOYSA-N 0 0 154.213 1.094 10 0 ADAERN CCCn1ccn(C)c1=S 2574201 167120762 /nfs/dbraw/zinc/12/07/62/167120762.db2.gz ZOCYDPURIYTNMU-UHFFFAOYSA-N 0 0 156.254 1.966 10 0 ADAERN CCCn1ccc2c1CN2 19721850 167120798 /nfs/dbraw/zinc/12/07/98/167120798.db2.gz ACDAJYVWCNUOTJ-UHFFFAOYSA-N 0 0 136.198 1.824 10 0 ADAERN CCCn1ccc(CC)n1 26547547 167120815 /nfs/dbraw/zinc/12/08/15/167120815.db2.gz UIGQYGPAPIIYBQ-UHFFFAOYSA-N 0 0 138.214 1.856 10 0 ADAERN CCCn1cnc(C=O)c1C 39062321 167120818 /nfs/dbraw/zinc/12/08/18/167120818.db2.gz QWAZGYJKQISUIQ-UHFFFAOYSA-N 0 0 152.197 1.414 10 0 ADAERN CCCn1cnc2ncccc21 36419832 167120822 /nfs/dbraw/zinc/12/08/22/167120822.db2.gz RKHFEMRZAMDVAS-UHFFFAOYSA-N 0 0 161.208 1.841 10 0 ADAERN CCCn1cncc1C(=O)OC 39058699 167120897 /nfs/dbraw/zinc/12/08/97/167120897.db2.gz KPVOYVGXWJOQDK-UHFFFAOYSA-N 0 0 168.196 1.080 10 0 ADAERN CCCn1nc(N)cc1C(=O)OCC 20314038 167120985 /nfs/dbraw/zinc/12/09/85/167120985.db2.gz DMUQHYJUQOYWEC-UHFFFAOYSA-N 0 0 197.238 1.052 10 0 ADAERN CCCn1cnnc1C1CC1 18001624 167121051 /nfs/dbraw/zinc/12/10/51/167121051.db2.gz MOJHWFPDCUIARH-UHFFFAOYSA-N 0 0 151.213 1.566 10 0 ADAERN CCCn1ccc(NC(=O)NCC)n1 64555895 167121090 /nfs/dbraw/zinc/12/10/90/167121090.db2.gz QQZRCDQVMBKVOR-UHFFFAOYSA-N 0 0 196.254 1.435 10 0 ADAERN CCn1ccc(C[C@@H]2CCC(=O)N2)c1 134324843 343939732 /nfs/dbraw/zinc/93/97/32/343939732.db2.gz XZZMRKCWWCGOIO-JTQLQIEISA-N 0 0 192.262 1.329 10 0 ADAERN CCCn1ccnc(NC(C)C)c1=O 61761970 167121174 /nfs/dbraw/zinc/12/11/74/167121174.db2.gz DPEJOLQBVLLUOF-UHFFFAOYSA-N 0 0 195.266 1.474 10 0 ADAERN CCCn1cccc1C(N)=S 33878661 167121200 /nfs/dbraw/zinc/12/12/00/167121200.db2.gz VMKNKFIFJNMOEY-UHFFFAOYSA-N 0 0 168.265 1.532 10 0 ADAERN CCCn1cnc2cnc(Cl)nc21 96311462 167121273 /nfs/dbraw/zinc/12/12/73/167121273.db2.gz KRDONWJLORIAFO-UHFFFAOYSA-N 0 0 196.641 1.890 10 0 ADAERN CCCn1ccc(O)c1C(C)=O 116112145 167121295 /nfs/dbraw/zinc/12/12/95/167121295.db2.gz IASWNDJGHUYDGK-UHFFFAOYSA-N 0 0 167.208 1.806 10 0 ADAERN CCCn1nc(N)cc1CC 54404824 167121306 /nfs/dbraw/zinc/12/13/06/167121306.db2.gz PRQIQHHMSPCAOO-UHFFFAOYSA-N 0 0 153.229 1.438 10 0 ADAERN CCCn1cnc2cncnc21 78373152 167121389 /nfs/dbraw/zinc/12/13/89/167121389.db2.gz NBXBKGSHYQGMQE-UHFFFAOYSA-N 0 0 162.196 1.236 10 0 ADAERN CCc1ccc(C[C@H]2CCC(=O)N2)o1 134325501 343939784 /nfs/dbraw/zinc/93/97/84/343939784.db2.gz NXYULGDXARVMIB-MRVPVSSYSA-N 0 0 193.246 1.663 10 0 ADAERN CCCn1cnc2c(O)ccc(O)c21 45238267 167121431 /nfs/dbraw/zinc/12/14/31/167121431.db2.gz BDEFEKWIHCHBOA-UHFFFAOYSA-N 0 0 192.218 1.858 10 0 ADAERN CCCn1cnc(CO)c1C 39080603 167121489 /nfs/dbraw/zinc/12/14/89/167121489.db2.gz WMOFROWSLMCZBH-UHFFFAOYSA-N 0 0 154.213 1.094 10 0 ADAERN CCCn1cncc1C(C)=O 39069806 167121503 /nfs/dbraw/zinc/12/15/03/167121503.db2.gz PZFQYXXXEDFAPL-UHFFFAOYSA-N 0 0 152.197 1.496 10 0 ADAERN CCCn1cnc(C)c(C)c1=O 307627815 167121664 /nfs/dbraw/zinc/12/16/64/167121664.db2.gz VVMGNJYIXVLSLY-UHFFFAOYSA-N 0 0 166.224 1.270 10 0 ADAERN C[C@@H]1CC[C@@H](C[C@@H]2CCC(=O)N2)O1 134325756 343939785 /nfs/dbraw/zinc/93/97/85/343939785.db2.gz CCRTYAOAGCQVPC-VGMNWLOBSA-N 0 0 183.251 1.223 10 0 ADAERN CCCn1cncc1C 15784288 167121733 /nfs/dbraw/zinc/12/17/33/167121733.db2.gz SLXDSUHPWSGQJC-UHFFFAOYSA-N 0 0 124.187 1.602 10 0 ADAERN C[C@@]1(C[C@@H]2CCOC2)CCC(=O)N1 134327967 343939786 /nfs/dbraw/zinc/93/97/86/343939786.db2.gz GCYDLBFAQKTJPO-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN CCCn1ccnc(NCC)c1=O 61762036 167121937 /nfs/dbraw/zinc/12/19/37/167121937.db2.gz IUWWOZLHFRCMLT-UHFFFAOYSA-N 0 0 181.239 1.085 10 0 ADAERN CCCn1cnc(C(=O)OCC)c1N 44589856 167122081 /nfs/dbraw/zinc/12/20/81/167122081.db2.gz QBCRKICZWGGXDQ-UHFFFAOYSA-N 0 0 197.238 1.052 10 0 ADAERN CCCn1nc(C(C)C)cc1N 40927424 167122116 /nfs/dbraw/zinc/12/21/16/167122116.db2.gz HREXYYGCAQQPQH-UHFFFAOYSA-N 0 0 167.256 1.999 10 0 ADAERN CCCn1ccnc1[C@H](C)O 39080608 167122120 /nfs/dbraw/zinc/12/21/20/167122120.db2.gz IFCIOSZEJXKVIY-ZETCQYMHSA-N 0 0 154.213 1.346 10 0 ADAERN CCCn1cnc(C(=O)OC)c1 39058700 167122245 /nfs/dbraw/zinc/12/22/45/167122245.db2.gz KICWFSNTRRTWKU-UHFFFAOYSA-N 0 0 168.196 1.080 10 0 ADAERN CCCn1cccc(OC)c1=O 39168295 167122461 /nfs/dbraw/zinc/12/24/61/167122461.db2.gz UCHURJIFMXZLIZ-UHFFFAOYSA-N 0 0 167.208 1.267 10 0 ADAERN CCCn1nc(C(=O)OCC)cc1N 20314130 167122557 /nfs/dbraw/zinc/12/25/57/167122557.db2.gz NVQLHCYRNPQKIH-UHFFFAOYSA-N 0 0 197.238 1.052 10 0 ADAERN CCCn1cnc2cc(N)cnc21 82529388 167122625 /nfs/dbraw/zinc/12/26/25/167122625.db2.gz ZAZJJBBRCMELDH-UHFFFAOYSA-N 0 0 176.223 1.424 10 0 ADAERN CCCn1nc(C)c([C@H](C)O)c1C 26546750 167122651 /nfs/dbraw/zinc/12/26/51/167122651.db2.gz MSRTUQZUASSDBV-VIFPVBQESA-N 0 0 182.267 1.963 10 0 ADAERN CCCn1nc(C)c(C)c1N 45628377 167122673 /nfs/dbraw/zinc/12/26/73/167122673.db2.gz VSZOWSNPHNYHLZ-UHFFFAOYSA-N 0 0 153.229 1.492 10 0 ADAERN CCCn1nc(C)c([C@@H](C)O)c1C 26546746 167122766 /nfs/dbraw/zinc/12/27/66/167122766.db2.gz MSRTUQZUASSDBV-SECBINFHSA-N 0 0 182.267 1.963 10 0 ADAERN CC(C)C[C@@]1(C)CCC(=O)N1 134330570 343940200 /nfs/dbraw/zinc/94/02/00/343940200.db2.gz LESGXUPXEUSNMH-SECBINFHSA-N 0 0 155.241 1.701 10 0 ADAERN CCCn1cnc2c(NC)ncnc21 206725214 167122827 /nfs/dbraw/zinc/12/28/27/167122827.db2.gz MBHPTXXQKHFGGE-UHFFFAOYSA-N 0 0 191.238 1.278 10 0 ADAERN CCCn1nc(C)c(CO)c1Cl 40927324 167122907 /nfs/dbraw/zinc/12/29/07/167122907.db2.gz WIZIRFYGYFECDR-UHFFFAOYSA-N 0 0 188.658 1.747 10 0 ADAERN CCCn1nc(C)c(C(N)=O)c1C 307508331 167122913 /nfs/dbraw/zinc/12/29/13/167122913.db2.gz AHXWTSJXTWDGMW-UHFFFAOYSA-N 0 0 181.239 1.009 10 0 ADAERN CC[C@]1(C[C@H]2CCOC2)CCC(=O)N1 134333303 343940226 /nfs/dbraw/zinc/94/02/26/343940226.db2.gz JOBHCUCBDBOIJQ-MWLCHTKSSA-N 0 0 197.278 1.472 10 0 ADAERN C[C@@]1(CC2CCC2)CCC(=O)N1 134329212 343940254 /nfs/dbraw/zinc/94/02/54/343940254.db2.gz QRWGSLOORGKTNI-JTQLQIEISA-N 0 0 167.252 1.845 10 0 ADAERN CCCn1nnc2cc(C=O)ccc21 77019038 167123438 /nfs/dbraw/zinc/12/34/38/167123438.db2.gz YRCLMLDWTLTXGU-UHFFFAOYSA-N 0 0 189.218 1.654 10 0 ADAERN CCCn1nccc1NC(C)=O 306196926 167123624 /nfs/dbraw/zinc/12/36/24/167123624.db2.gz RHUIUGNAYQSZAD-UHFFFAOYSA-N 0 0 167.212 1.252 10 0 ADAERN CCN(C(=O)C1CC(C)(O)C1)C1CC1 336242127 167123781 /nfs/dbraw/zinc/12/37/81/167123781.db2.gz UJCPDGQPQFMEHS-UHFFFAOYSA-N 0 0 197.278 1.158 10 0 ADAERN CCCn1nnc2c(Cl)ncnc21 253576795 167123894 /nfs/dbraw/zinc/12/38/94/167123894.db2.gz WHDFWFIWKFYSNU-UHFFFAOYSA-N 0 0 197.629 1.285 10 0 ADAERN CCCn1ncc(Cl)c1N 43665577 167123896 /nfs/dbraw/zinc/12/38/96/167123896.db2.gz POBLLLANGHXODH-UHFFFAOYSA-N 0 0 159.620 1.529 10 0 ADAERN CCN(C(=O)C1CC1)[C@H]1CCOC1 308176600 167124061 /nfs/dbraw/zinc/12/40/61/167124061.db2.gz AYUVTBFFZBRMEU-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN CCCn1ncc(CO)c1C 26545613 167124069 /nfs/dbraw/zinc/12/40/69/167124069.db2.gz FPUXDPOWZVSHFQ-UHFFFAOYSA-N 0 0 154.213 1.094 10 0 ADAERN CCCn1nnc(C(C)=O)c1C 62289451 167124142 /nfs/dbraw/zinc/12/41/42/167124142.db2.gz XOIXLDWMHKWEJL-UHFFFAOYSA-N 0 0 167.212 1.199 10 0 ADAERN CCN(C(=O)C(C)C)[C@H]1CCOC1 308176567 167124238 /nfs/dbraw/zinc/12/42/38/167124238.db2.gz AYKBGPVEIJTBIY-VIFPVBQESA-N 0 0 185.267 1.280 10 0 ADAERN CCCn1ncc2c1CCCC2=O 18553 167124763 /nfs/dbraw/zinc/12/47/63/167124763.db2.gz ZBPSLZWUFYHAFW-UHFFFAOYSA-N 0 0 178.235 1.812 10 0 ADAERN CCN(C(=O)C1=CCC1)[C@H]1CCOC1 335046693 167124871 /nfs/dbraw/zinc/12/48/71/167124871.db2.gz JNRNKIDWNYDXCX-JTQLQIEISA-N 0 0 195.262 1.344 10 0 ADAERN CCN(C(=O)C1=CCC1)[C@@H]1CCOC1 335046694 167124882 /nfs/dbraw/zinc/12/48/82/167124882.db2.gz JNRNKIDWNYDXCX-SNVBAGLBSA-N 0 0 195.262 1.344 10 0 ADAERN CCN(C(=O)C1=CCCC1)C1COC1 334665948 167124887 /nfs/dbraw/zinc/12/48/87/167124887.db2.gz AMKPBTBILDCBII-UHFFFAOYSA-N 0 0 195.262 1.344 10 0 ADAERN CCN(C(=O)C(C)=O)c1ccccc1 58521434 167125103 /nfs/dbraw/zinc/12/51/03/167125103.db2.gz NTXWEKXAPQAJKR-UHFFFAOYSA-N 0 0 191.230 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CTTJBYRHLGBTFX-UHFFFAOYSA-N 0 0 184.283 1.836 10 0 ADAERN CCN(C(=O)[C@]1(C)CCCO1)C(C)C 335251846 167127666 /nfs/dbraw/zinc/12/76/66/167127666.db2.gz PKWSHUHUYHNBGD-NSHDSACASA-N 0 0 199.294 1.812 10 0 ADAERN CCN(C(=O)[C@@]1(C)CCCO1)C(C)C 335251843 167127713 /nfs/dbraw/zinc/12/77/13/167127713.db2.gz PKWSHUHUYHNBGD-LLVKDONJSA-N 0 0 199.294 1.812 10 0 ADAERN CCN(C(=O)[C@@H]1CC12CC2)C1CC1 334986166 167127743 /nfs/dbraw/zinc/12/77/43/167127743.db2.gz HSBNZGCHMGIXFY-VIFPVBQESA-N 0 0 179.263 1.797 10 0 ADAERN CCN(C(=O)[C@H]1CC12CC2)C1CC1 334986165 167128050 /nfs/dbraw/zinc/12/80/50/167128050.db2.gz HSBNZGCHMGIXFY-SECBINFHSA-N 0 0 179.263 1.797 10 0 ADAERN CCN(C(=O)c1ccnnc1)C(C)C 334522092 167128115 /nfs/dbraw/zinc/12/81/15/167128115.db2.gz PPMIUTHKAWGRGV-UHFFFAOYSA-N 0 0 193.250 1.347 10 0 ADAERN CCN(C(=O)CO)C1CC(C)(C)C1 335268735 167128423 /nfs/dbraw/zinc/12/84/23/167128423.db2.gz PTDOBEPDBJTYTN-UHFFFAOYSA-N 0 0 185.267 1.016 10 0 ADAERN CCN(C(=O)N[C@@H]1CC[C@H]1C)C1CC1 334432445 167128452 /nfs/dbraw/zinc/12/84/52/167128452.db2.gz WVRCFJRKVUGKEH-PSASIEDQSA-N 0 0 196.294 1.979 10 0 ADAERN CCN(C(=O)c1cc(F)c[nH]1)C1CC1 334722243 167128479 /nfs/dbraw/zinc/12/84/79/167128479.db2.gz CZXOKRKQANCBBT-UHFFFAOYSA-N 0 0 196.225 1.778 10 0 ADAERN CCN(C(=O)N[C@@H]1CC[C@@H]1C)C1CC1 334432450 167128528 /nfs/dbraw/zinc/12/85/28/167128528.db2.gz WVRCFJRKVUGKEH-WCBMZHEXSA-N 0 0 196.294 1.979 10 0 ADAERN CCN(C(=O)N[C@H]1CC[C@H]1C)C1CC1 334432447 167128635 /nfs/dbraw/zinc/12/86/35/167128635.db2.gz WVRCFJRKVUGKEH-SCZZXKLOSA-N 0 0 196.294 1.979 10 0 ADAERN CCN(C(=O)OC)c1ccccc1N 50453838 167128762 /nfs/dbraw/zinc/12/87/62/167128762.db2.gz YCGUMPMVMOWXHJ-UHFFFAOYSA-N 0 0 194.234 1.862 10 0 ADAERN CCN(C(=O)N[C@H]1CC[C@@H]1C)C1CC1 334432453 167128844 /nfs/dbraw/zinc/12/88/44/167128844.db2.gz WVRCFJRKVUGKEH-WPRPVWTQSA-N 0 0 196.294 1.979 10 0 ADAERN CCN(C(C)=O)c1c(C)noc1C 39126152 167129424 /nfs/dbraw/zinc/12/94/24/167129424.db2.gz WEZAKYKEQPPJCV-UHFFFAOYSA-N 0 0 182.223 1.664 10 0 ADAERN CCN(C(C)=O)c1cc(C)on1 34188949 167129498 /nfs/dbraw/zinc/12/94/98/167129498.db2.gz QUALYALQOPNFQQ-UHFFFAOYSA-N 0 0 168.196 1.356 10 0 ADAERN CC[N@H+](C(C)C)[C@H]1CCC[C@@H]1C(=O)[O-] 62751291 167129517 /nfs/dbraw/zinc/12/95/17/167129517.db2.gz NJDDVTMCUQLDHZ-UWVGGRQHSA-N 0 0 199.294 1.970 10 0 ADAERN CCN(C(N)=O)[C@@H](C)c1cccnc1 335988880 167129626 /nfs/dbraw/zinc/12/96/26/167129626.db2.gz NDCPGYRAGPCFJQ-QMMMGPOBSA-N 0 0 193.250 1.543 10 0 ADAERN CCN(C(N)=O)C1CC(C)(C)C1 335393161 167129652 /nfs/dbraw/zinc/12/96/52/167129652.db2.gz NFCFVVORPTXJIA-UHFFFAOYSA-N 0 0 170.256 1.576 10 0 ADAERN CCN(C(C)=O)c1ccccc1N 50453455 167129710 /nfs/dbraw/zinc/12/97/10/167129710.db2.gz GIYCSTBRWXPCMX-UHFFFAOYSA-N 0 0 178.235 1.642 10 0 ADAERN CCN(C(C)=O)c1ncccc1C 306284337 167130216 /nfs/dbraw/zinc/13/02/16/167130216.db2.gz BPFOXYQLQSFPBC-UHFFFAOYSA-N 0 0 178.235 1.763 10 0 ADAERN CCN(C(C)=O)c1cccnc1C 306236392 167130228 /nfs/dbraw/zinc/13/02/28/167130228.db2.gz OEKYCNDQXGEKFR-UHFFFAOYSA-N 0 0 178.235 1.763 10 0 ADAERN CCN(C)C(=O)C(C)(C)c1cnc[nH]1 336131117 167130343 /nfs/dbraw/zinc/13/03/43/167130343.db2.gz ZELXJDCRYKHTNG-UHFFFAOYSA-N 0 0 195.266 1.166 10 0 ADAERN CCN(C(N)=O)[C@H](C)c1cccnc1 335988879 167130386 /nfs/dbraw/zinc/13/03/86/167130386.db2.gz NDCPGYRAGPCFJQ-MRVPVSSYSA-N 0 0 193.250 1.543 10 0 ADAERN CCN(C(N)=S)c1cccc(F)c1 44931226 167130449 /nfs/dbraw/zinc/13/04/49/167130449.db2.gz FPTLLFKBAXNPBZ-UHFFFAOYSA-N 0 0 198.266 1.896 10 0 ADAERN CCN(C(N)=O)c1ccccc1N 50453839 167130585 /nfs/dbraw/zinc/13/05/85/167130585.db2.gz BTHHTGZUDQFCDT-UHFFFAOYSA-N 0 0 179.223 1.174 10 0 ADAERN CCN(C(N)=S)C1CCCC1 35766038 167130662 /nfs/dbraw/zinc/13/06/62/167130662.db2.gz RGXTWSLOMIEDLF-UHFFFAOYSA-N 0 0 172.297 1.495 10 0 ADAERN CCN(C(N)=S)c1ccccc1F 50013338 167130733 /nfs/dbraw/zinc/13/07/33/167130733.db2.gz UPDNPROKYHBKJT-UHFFFAOYSA-N 0 0 198.266 1.896 10 0 ADAERN CCN(C(N)=O)c1cc(O)ccc1C 20212851 167130912 /nfs/dbraw/zinc/13/09/12/167130912.db2.gz QTCYEUMXODDUPX-UHFFFAOYSA-N 0 0 194.234 1.606 10 0 ADAERN CC[N@H+](C(C)C)[C@H](C)C(=O)[O-] 37082508 167130967 /nfs/dbraw/zinc/13/09/67/167130967.db2.gz PVDVGCMEKJLPKE-SSDOTTSWSA-N 0 0 159.229 1.190 10 0 ADAERN CCN(C(=S)NN)c1ccccc1 71507223 167131311 /nfs/dbraw/zinc/13/13/11/167131311.db2.gz PGIYKYWIZMRGNI-UHFFFAOYSA-N 0 0 195.291 1.261 10 0 ADAERN CCN(C(C)=O)c1cnoc1C 39082638 167131343 /nfs/dbraw/zinc/13/13/43/167131343.db2.gz ADGFRZOYZYDAAL-UHFFFAOYSA-N 0 0 168.196 1.356 10 0 ADAERN CC[N@H+](C(C)C)[C@@H](C)C(=O)[O-] 37082507 167131358 /nfs/dbraw/zinc/13/13/58/167131358.db2.gz PVDVGCMEKJLPKE-ZETCQYMHSA-N 0 0 159.229 1.190 10 0 ADAERN CCN(C(N)=O)c1ccccc1 22223394 167131363 /nfs/dbraw/zinc/13/13/63/167131363.db2.gz BSRGHKIDHIAMAS-UHFFFAOYSA-N 0 0 164.208 1.592 10 0 ADAERN CC[N@H+](C(C)C)[C@@H]1CCC[C@@H]1C(=O)[O-] 62751290 167131436 /nfs/dbraw/zinc/13/14/36/167131436.db2.gz NJDDVTMCUQLDHZ-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN CCN(C(N)=O)c1cccc(F)c1 44352007 167131468 /nfs/dbraw/zinc/13/14/68/167131468.db2.gz LVXNOZYMVJDSFM-UHFFFAOYSA-N 0 0 182.198 1.731 10 0 ADAERN CC[N@H+](C(C)C)C(C)(C)C(=O)[O-] 41857326 167131586 /nfs/dbraw/zinc/13/15/86/167131586.db2.gz QEOAKQSZSSELGM-UHFFFAOYSA-N 0 0 173.256 1.580 10 0 ADAERN CCN(C(N)=S)c1ccc(F)cc1 50013339 167131727 /nfs/dbraw/zinc/13/17/27/167131727.db2.gz WVQMIGZGFHQLGC-UHFFFAOYSA-N 0 0 198.266 1.896 10 0 ADAERN CCN(C(C)=O)c1cccc(N)c1 5311988 167131801 /nfs/dbraw/zinc/13/18/01/167131801.db2.gz DLNQNZYXEKQYQA-UHFFFAOYSA-N 0 0 178.235 1.642 10 0 ADAERN CCN(C(C)=O)c1ccc(C)c(N)c1 5316596 167131904 /nfs/dbraw/zinc/13/19/04/167131904.db2.gz DAOVJXMODJTKDC-UHFFFAOYSA-N 0 0 192.262 1.950 10 0 ADAERN CCN(C(C)=O)c1ccc(N)c(F)c1 77295967 167131962 /nfs/dbraw/zinc/13/19/62/167131962.db2.gz DNBZQYIBHYQGCO-UHFFFAOYSA-N 0 0 196.225 1.781 10 0 ADAERN CCN(C(N)=O)c1ccccc1F 50013340 167132100 /nfs/dbraw/zinc/13/21/00/167132100.db2.gz AEZFJEYQWXJZRQ-UHFFFAOYSA-N 0 0 182.198 1.731 10 0 ADAERN CCN(C)C(=O)C1CC=CC1 306231753 167132285 /nfs/dbraw/zinc/13/22/85/167132285.db2.gz AJPYINPMSWELGA-UHFFFAOYSA-N 0 0 153.225 1.431 10 0 ADAERN CCN(C)C(=O)N(C)CC1CC1 127043338 167132953 /nfs/dbraw/zinc/13/29/53/167132953.db2.gz LSGPYCKRKOWABW-UHFFFAOYSA-N 0 0 170.256 1.400 10 0 ADAERN CCN(C)C(=O)N(C)c1cccnc1 127437200 167132962 /nfs/dbraw/zinc/13/29/62/167132962.db2.gz WSSPGCXYCKWNTN-UHFFFAOYSA-N 0 0 193.250 1.590 10 0 ADAERN CCN(C)C(=O)Cc1cncs1 307940663 167133323 /nfs/dbraw/zinc/13/33/23/167133323.db2.gz BVZKTZHVKFNGNC-UHFFFAOYSA-N 0 0 184.264 1.164 10 0 ADAERN CCN(C)C(=O)NC[C@H]1C[C@H]1C 121974254 167133366 /nfs/dbraw/zinc/13/33/66/167133366.db2.gz VIGJHFSIYJJKPA-HTQZYQBOSA-N 0 0 170.256 1.304 10 0 ADAERN CCN(C)C(=O)N1C[C@@H](C)[C@@H]1C 334878111 167133369 /nfs/dbraw/zinc/13/33/69/167133369.db2.gz PQJNUMDEGAGXMY-SFYZADRCSA-N 0 0 170.256 1.398 10 0 ADAERN CCN(C)C(=O)N1CC[C@H]1C1CC1 336296729 167133528 /nfs/dbraw/zinc/13/35/28/167133528.db2.gz FFHUSDCGGJYGIM-VIFPVBQESA-N 0 0 182.267 1.542 10 0 ADAERN CCN(C)C(=O)NC1(C2(C)CC2)CC1 334655049 167133652 /nfs/dbraw/zinc/13/36/52/167133652.db2.gz IUJVAEDXDQGXTD-UHFFFAOYSA-N 0 0 196.294 1.980 10 0 ADAERN CCN(C)C(=O)N1C[C@@H]2CCC[C@@H]21 307193914 167133697 /nfs/dbraw/zinc/13/36/97/167133697.db2.gz OKQHFQMZCQYURE-IUCAKERBSA-N 0 0 182.267 1.542 10 0 ADAERN CCN(C)C(=O)N1[C@H](C)CC[C@H]1C 306241589 167133739 /nfs/dbraw/zinc/13/37/39/167133739.db2.gz RRKUQKRWEFQDOU-RKDXNWHRSA-N 0 0 184.283 1.931 10 0 ADAERN CCN(C)C(=O)N1CC(C2CCC2)C1 336097154 167133771 /nfs/dbraw/zinc/13/37/71/167133771.db2.gz XJOJAQPMFYOBJE-UHFFFAOYSA-N 0 0 196.294 1.790 10 0 ADAERN CCN(C)C(=O)N(C)Cc1ccc[nH]1 335001727 167133855 /nfs/dbraw/zinc/13/38/55/167133855.db2.gz KSROMGZZBNGOBH-UHFFFAOYSA-N 0 0 195.266 1.518 10 0 ADAERN CCN(C)C(=O)NC1(CC)CCC1 127821229 167133913 /nfs/dbraw/zinc/13/39/13/167133913.db2.gz BVSUPPGCTNDFKZ-UHFFFAOYSA-N 0 0 184.283 1.980 10 0 ADAERN CCN(C)C(=O)NCc1cscn1 122077775 167133949 /nfs/dbraw/zinc/13/39/49/167133949.db2.gz UTXLVXXJWFMPLO-UHFFFAOYSA-N 0 0 199.279 1.304 10 0 ADAERN CCN(C)C(=O)N1C[C@@H](C)[C@H]1C 334878109 167133954 /nfs/dbraw/zinc/13/39/54/167133954.db2.gz PQJNUMDEGAGXMY-HTQZYQBOSA-N 0 0 170.256 1.398 10 0 ADAERN CCN(C)C(=O)N1C[C@H]2CCC[C@@H]21 307193912 167134043 /nfs/dbraw/zinc/13/40/43/167134043.db2.gz OKQHFQMZCQYURE-BDAKNGLRSA-N 0 0 182.267 1.542 10 0 ADAERN CCN(C)C(=O)C[C@H]1C=CCC1 307971757 167134150 /nfs/dbraw/zinc/13/41/50/167134150.db2.gz HRGCWMXZNYFDRU-VIFPVBQESA-N 0 0 167.252 1.821 10 0 ADAERN CCN(C)C(=O)N1[C@@H](C)C[C@@H]1C 307187046 167134327 /nfs/dbraw/zinc/13/43/27/167134327.db2.gz VIDFQDXBCSVSES-YUMQZZPRSA-N 0 0 170.256 1.541 10 0 ADAERN CCN(C)C(=O)Cc1cccc(O)c1 42418012 167134368 /nfs/dbraw/zinc/13/43/68/167134368.db2.gz VIXBOKXNYYLXHV-UHFFFAOYSA-N 0 0 193.246 1.413 10 0 ADAERN CCN(C)C(=O)N1[C@@H](C)C[C@H]1C 307187045 167134396 /nfs/dbraw/zinc/13/43/96/167134396.db2.gz VIDFQDXBCSVSES-OCAPTIKFSA-N 0 0 170.256 1.541 10 0 ADAERN CCN(C)C(=O)Cc1cc(C)on1 308212687 167134406 /nfs/dbraw/zinc/13/44/06/167134406.db2.gz 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1.439 10 0 ADAERN CC[NH+](CC)CCCCCC(=O)[O-] 39595577 167167733 /nfs/dbraw/zinc/16/77/33/167167733.db2.gz MALFKRUKALLGKG-UHFFFAOYSA-N 0 0 187.283 1.973 10 0 ADAERN CCN(CC)S(=O)(=O)C(C)(C)C 34160172 167169195 /nfs/dbraw/zinc/16/91/95/167169195.db2.gz SEXKBNDUZHOJCW-UHFFFAOYSA-N 0 0 193.312 1.457 10 0 ADAERN CC[NH+](CC)C[C@H](C)CC(=O)[O-] 76580382 167170221 /nfs/dbraw/zinc/17/02/21/167170221.db2.gz DUXFVJSNUTUZIO-MRVPVSSYSA-N 0 0 173.256 1.439 10 0 ADAERN CC[NH+](CC)C[C@@](C)(CC)C(=O)[O-] 51286593 167170314 /nfs/dbraw/zinc/17/03/14/167170314.db2.gz DAQGVLNTJWPYEZ-SNVBAGLBSA-N 0 0 187.283 1.829 10 0 ADAERN CCN(CC)S(=O)N(CC)CC 5848668 167170394 /nfs/dbraw/zinc/17/03/94/167170394.db2.gz BVVRZSKVUVJJAJ-UHFFFAOYSA-N 0 0 192.328 1.249 10 0 ADAERN CC[NH+](CC)C[C@](C)(CC)C(=O)[O-] 51286592 167170895 /nfs/dbraw/zinc/17/08/95/167170895.db2.gz DAQGVLNTJWPYEZ-JTQLQIEISA-N 0 0 187.283 1.829 10 0 ADAERN CC[NH+](CC)[C@H]1CCC[C@H]1C(=O)[O-] 62750081 167171952 /nfs/dbraw/zinc/17/19/52/167171952.db2.gz VMFWMYSTFSRIIH-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN CCN(CC)c1c(C=O)c(C)nn1C 34956988 167171962 /nfs/dbraw/zinc/17/19/62/167171962.db2.gz SCCUTKJQNQZZQI-UHFFFAOYSA-N 0 0 195.266 1.387 10 0 ADAERN CC[NH+](CC)[C@](C)(C(=O)[O-])C(C)C 52883951 167172209 /nfs/dbraw/zinc/17/22/09/167172209.db2.gz IPYJGNCYDZQKOT-JTQLQIEISA-N 0 0 187.283 1.828 10 0 ADAERN CC[NH+](CC)[C@H]1CCCC[C@H]1C(=O)[O-] 62750085 167172274 /nfs/dbraw/zinc/17/22/74/167172274.db2.gz NNHBCJZFKZHRDO-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC[NH+](CC)[C@@H]1CCC[C@H]1C(=O)[O-] 62750080 167172366 /nfs/dbraw/zinc/17/23/66/167172366.db2.gz VMFWMYSTFSRIIH-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CC[NH+](CC)[C@H](C)CCC(=O)[O-] 50956312 167172499 /nfs/dbraw/zinc/17/24/99/167172499.db2.gz NDUNYWODYWRJAV-MRVPVSSYSA-N 0 0 173.256 1.582 10 0 ADAERN CCN(CC)[P@]1(=O)NCCCO1 5849176 167172537 /nfs/dbraw/zinc/17/25/37/167172537.db2.gz YYBAUAVEKFNTLT-LBPRGKRZSA-N 0 0 192.199 1.446 10 0 ADAERN CC[NH+](CC)[C@H]1CCC[C@@H]1C(=O)[O-] 62750079 167172656 /nfs/dbraw/zinc/17/26/56/167172656.db2.gz VMFWMYSTFSRIIH-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN CC[NH+](CC)[C@@H]1CCC[C@@H]1C(=O)[O-] 62750078 167172667 /nfs/dbraw/zinc/17/26/67/167172667.db2.gz VMFWMYSTFSRIIH-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CC[NH+](CC)[C@@H]1CCCC[C@H]1C(=O)[O-] 62750084 167172749 /nfs/dbraw/zinc/17/27/49/167172749.db2.gz NNHBCJZFKZHRDO-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN CC[NH+](CC)[C@H](C(=O)[O-])C(C)(C)C 41051929 167172855 /nfs/dbraw/zinc/17/28/55/167172855.db2.gz QOHASNUJLHFAPX-MRVPVSSYSA-N 0 0 187.283 1.828 10 0 ADAERN CC[NH+](CC)[C@@H]1CCCC[C@@H]1C(=O)[O-] 62750082 167172902 /nfs/dbraw/zinc/17/29/02/167172902.db2.gz NNHBCJZFKZHRDO-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CCN(CC)c1c(N)c(C)nn1C 36748906 167172947 /nfs/dbraw/zinc/17/29/47/167172947.db2.gz FLVXWORCFACHRX-UHFFFAOYSA-N 0 0 182.271 1.157 10 0 ADAERN CCN(CC)c1cc(N)c(O)c(N)c1 33506200 167173148 /nfs/dbraw/zinc/17/31/48/167173148.db2.gz KKSFQDNAYJWTCZ-UHFFFAOYSA-N 0 0 195.266 1.403 10 0 ADAERN CCN(CC)c1ccc(N)c(OC)n1 37066271 167173190 /nfs/dbraw/zinc/17/31/90/167173190.db2.gz YBGMQEWVESAEHJ-UHFFFAOYSA-N 0 0 195.266 1.519 10 0 ADAERN CC[NH+](CC)[C@H]1CCCC[C@@H]1C(=O)[O-] 62750083 167173358 /nfs/dbraw/zinc/17/33/58/167173358.db2.gz NNHBCJZFKZHRDO-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN CCN(CC)c1c(C)nn(C)c1C 82712956 167173683 /nfs/dbraw/zinc/17/36/83/167173683.db2.gz RAILPZUUMRLXER-UHFFFAOYSA-N 0 0 181.283 1.883 10 0 ADAERN CC[NH+](CC)[C@@](C)(C(=O)[O-])C(C)C 52883952 167173731 /nfs/dbraw/zinc/17/37/31/167173731.db2.gz IPYJGNCYDZQKOT-SNVBAGLBSA-N 0 0 187.283 1.828 10 0 ADAERN CCN(CC)c1cc[n+]([O-])cc1 5311714 167173795 /nfs/dbraw/zinc/17/37/95/167173795.db2.gz IRFNDTQTGCYIOQ-UHFFFAOYSA-N 0 0 166.224 1.166 10 0 ADAERN CCN(CC)c1ccc(N)c(O)c1 34160688 167173824 /nfs/dbraw/zinc/17/38/24/167173824.db2.gz JHDPWYYNKJIJPT-UHFFFAOYSA-N 0 0 180.251 1.821 10 0 ADAERN CC[NH+](CC)[C@H](C(=O)[O-])C1CC1 41047653 167174011 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/nfs/dbraw/zinc/17/75/52/167177552.db2.gz XLRDCQLVQHPNDB-UHFFFAOYSA-N 0 0 150.225 1.928 10 0 ADAERN CCN(CC)c1nc(C)c(C)c(=O)[nH]1 40887713 167177774 /nfs/dbraw/zinc/17/77/74/167177774.db2.gz SSUYLGJSTCYSAW-UHFFFAOYSA-N 0 0 195.266 1.233 10 0 ADAERN CCN(CC)C1=NC(=O)CS1 100324037 167177887 /nfs/dbraw/zinc/17/78/87/167177887.db2.gz XZECBEYYQKVWHY-UHFFFAOYSA-N 0 0 172.253 1.695 10 0 ADAERN CCN(CC)c1ncc(N)s1 72192553 167177963 /nfs/dbraw/zinc/17/79/63/167177963.db2.gz HEBFVEOUERFMKX-UHFFFAOYSA-N 0 0 171.269 1.572 10 0 ADAERN CCN(CCCON)c1ccccc1 19785869 167178164 /nfs/dbraw/zinc/17/81/64/167178164.db2.gz GRDCKSFHQYFXQR-UHFFFAOYSA-N 0 0 194.278 1.793 10 0 ADAERN CCN(CCC(=O)[O-])c1cc[nH+]cc1 38024062 167178810 /nfs/dbraw/zinc/17/88/10/167178810.db2.gz QDSLOVAICTUDKB-UHFFFAOYSA-N 0 0 194.234 1.383 10 0 ADAERN CCN(CCC(N)=S)CC(F)F 42452406 167178815 /nfs/dbraw/zinc/17/88/15/167178815.db2.gz MWWZLDMDUSCHSL-UHFFFAOYSA-N 0 0 196.266 1.250 10 0 ADAERN CON[C@H](C)c1ccc2c(c1)OCO2 134232900 343937371 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167255824 /nfs/dbraw/zinc/25/58/24/167255824.db2.gz GFLOOZJDFNKXSO-UHFFFAOYSA-N 0 0 194.234 1.610 10 0 ADAERN CCNC(=O)c1oc(C)nc1C 97050684 167255864 /nfs/dbraw/zinc/25/58/64/167255864.db2.gz HAPREOCZUHUIOP-UHFFFAOYSA-N 0 0 168.196 1.041 10 0 ADAERN CCNC(=O)c1cnc(N)c(Cl)c1 50697570 167255902 /nfs/dbraw/zinc/25/59/02/167255902.db2.gz FBMXMCWOHYNQCZ-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN CCNC(=S)Cc1ccccn1 90459971 167255952 /nfs/dbraw/zinc/25/59/52/167255952.db2.gz XZASYJSCLYZUHB-UHFFFAOYSA-N 0 0 180.276 1.561 10 0 ADAERN CCNC(=O)n1cccc1 39063634 167255967 /nfs/dbraw/zinc/25/59/67/167255967.db2.gz NCAIVQUFUFGELH-UHFFFAOYSA-N 0 0 138.170 1.066 10 0 ADAERN CCNC(=O)c1cnn(C(C)(C)C)c1 335922228 167256073 /nfs/dbraw/zinc/25/60/73/167256073.db2.gz CPGXHQXDWSWDAU-UHFFFAOYSA-N 0 0 195.266 1.388 10 0 ADAERN CCNC(=O)c1oc(CC)cc1C 306270851 167256078 /nfs/dbraw/zinc/25/60/78/167256078.db2.gz VBMFDDOEVWVCDE-UHFFFAOYSA-N 0 0 181.235 1.900 10 0 ADAERN CCNC(=O)c1ccoc1C1CC1 306420151 167256087 /nfs/dbraw/zinc/25/60/87/167256087.db2.gz YVJTUWTWBWOISM-UHFFFAOYSA-N 0 0 179.219 1.907 10 0 ADAERN CCNC(=O)c1c[nH]nc1C(C)C 306768487 167256093 /nfs/dbraw/zinc/25/60/93/167256093.db2.gz ZBQTVFUKFYBSOU-UHFFFAOYSA-N 0 0 181.239 1.283 10 0 ADAERN CCNC(=O)c1ccccc1OCC 5979463 167256116 /nfs/dbraw/zinc/25/61/16/167256116.db2.gz GOFNTHRMQUXORT-UHFFFAOYSA-N 0 0 193.246 1.835 10 0 ADAERN CCNC(=S)N[C@@H](C)C(C)(C)C 13933793 167256139 /nfs/dbraw/zinc/25/61/39/167256139.db2.gz LCZKDFRYDMPLFU-ZETCQYMHSA-N 0 0 188.340 1.905 10 0 ADAERN CCNC(=O)c1cnc(C2CC2)nc1 336237484 167256276 /nfs/dbraw/zinc/25/62/76/167256276.db2.gz BMCPZMVWAMOPIV-UHFFFAOYSA-N 0 0 191.234 1.104 10 0 ADAERN CC[NH2+]C1(C(=O)[O-])CCC(C)CC1 37181440 167256359 /nfs/dbraw/zinc/25/63/59/167256359.db2.gz TZZQLJVJSGGTLM-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN CCNC(=O)c1ccncc1CC 307699436 167256437 /nfs/dbraw/zinc/25/64/37/167256437.db2.gz ONDBONZDGULSAA-UHFFFAOYSA-N 0 0 178.235 1.394 10 0 ADAERN CCNC(=O)c1occ2c1CCC2 307514350 167256459 /nfs/dbraw/zinc/25/64/59/167256459.db2.gz GMKFTENZCNKKLX-UHFFFAOYSA-N 0 0 179.219 1.518 10 0 ADAERN CCNC(=S)CC 39184524 167256464 /nfs/dbraw/zinc/25/64/64/167256464.db2.gz PNKBTBMZTBUJQA-UHFFFAOYSA-N 0 0 117.217 1.333 10 0 ADAERN CCNC(=S)[C@H](C)C(=O)OCC 95092956 167256506 /nfs/dbraw/zinc/25/65/06/167256506.db2.gz QARAYSDUQOGLJL-LURJTMIESA-N 0 0 189.280 1.123 10 0 ADAERN CCNC(=O)c1nc(C)c(C)nc1C 335818148 167257073 /nfs/dbraw/zinc/25/70/73/167257073.db2.gz AYAUQVYLCOTFLG-UHFFFAOYSA-N 0 0 193.250 1.152 10 0 ADAERN CCNCC(=O)O[C@H]1CCC[C@H](C)C1 44627103 167257591 /nfs/dbraw/zinc/25/75/91/167257591.db2.gz WKVRNJGBWXGWHW-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)OC1CCCCCC1 44627143 167257722 /nfs/dbraw/zinc/25/77/22/167257722.db2.gz FTXBZCKEGFFPML-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CCNCC(=O)O[C@H](C)CC(C)C 44626801 167257972 /nfs/dbraw/zinc/25/79/72/167257972.db2.gz MOLIYYMVKMNOKR-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN CCNCC(=O)OC1CCCC1 44626785 167258205 /nfs/dbraw/zinc/25/82/05/167258205.db2.gz ATWLHXYYEWEXTK-UHFFFAOYSA-N 0 0 171.240 1.082 10 0 ADAERN CCN=C1COc2cc(N)ccc2N1 75487305 167258449 /nfs/dbraw/zinc/25/84/49/167258449.db2.gz OXIHIJFAMGMGFY-UHFFFAOYSA-N 0 0 191.234 1.301 10 0 ADAERN CCNCC(=O)O[C@@H]1CCCC[C@@H]1C 44626847 167258756 /nfs/dbraw/zinc/25/87/56/167258756.db2.gz VCAIUSAHYZIRHA-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)OC1CCC(C)CC1 44626839 167258778 /nfs/dbraw/zinc/25/87/78/167258778.db2.gz JMDVCPQADVEVGG-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)O[C@H]1CCCC[C@@H]1C 44626849 167258816 /nfs/dbraw/zinc/25/88/16/167258816.db2.gz VCAIUSAHYZIRHA-UWVGGRQHSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)O[C@@H](C)CC(C)C 44626799 167258892 /nfs/dbraw/zinc/25/88/92/167258892.db2.gz MOLIYYMVKMNOKR-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN CCNCC(=O)OCCC(C)C 44626926 167258961 /nfs/dbraw/zinc/25/89/61/167258961.db2.gz FDOXWRRONQWJPD-UHFFFAOYSA-N 0 0 173.256 1.185 10 0 ADAERN CCNC1(C(=O)OC)CCC(C)CC1 37446722 167258972 /nfs/dbraw/zinc/25/89/72/167258972.db2.gz LQWKFNYZYPJRIQ-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)O[C@@H]1CCC[C@H](C)C1 44627101 167258975 /nfs/dbraw/zinc/25/89/75/167258975.db2.gz WKVRNJGBWXGWHW-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)OC1CCCCC1 44626777 167258992 /nfs/dbraw/zinc/25/89/92/167258992.db2.gz IIPBONKGTUGVIS-UHFFFAOYSA-N 0 0 185.267 1.472 10 0 ADAERN CCNCC(=O)O[C@@H]1CCCC[C@H]1C 44626851 167259117 /nfs/dbraw/zinc/25/91/17/167259117.db2.gz VCAIUSAHYZIRHA-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)O[C@@H]1CCC[C@@H](C)C1 44627105 167259207 /nfs/dbraw/zinc/25/92/07/167259207.db2.gz WKVRNJGBWXGWHW-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN CCNCC(=O)OCC1CCCCC1 52145630 167259254 /nfs/dbraw/zinc/25/92/54/167259254.db2.gz CTUUMJDREOIQOV-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CCNCC(=O)O[C@H]1CCC[C@@H](C)C1 44627107 167259990 /nfs/dbraw/zinc/25/99/90/167259990.db2.gz WKVRNJGBWXGWHW-ZJUUUORDSA-N 0 0 199.294 1.718 10 0 ADAERN CCNC1(C(=O)OCC)CCC1 52140264 167260149 /nfs/dbraw/zinc/26/01/49/167260149.db2.gz DYBOYUSIZDQEKM-UHFFFAOYSA-N 0 0 171.240 1.082 10 0 ADAERN CCNC1=CC(=S)NC(C)(C)C1 196268399 167260200 /nfs/dbraw/zinc/26/02/00/167260200.db2.gz RGRLSCKTDNWIFN-UHFFFAOYSA-N 0 0 184.308 1.579 10 0 ADAERN CCNCC(=O)OCCCC(C)C 44627060 167260306 /nfs/dbraw/zinc/26/03/06/167260306.db2.gz QHACHQJLXMERNX-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN CCNCC(=O)O[C@H]1CCCC[C@H]1C 44626853 167260476 /nfs/dbraw/zinc/26/04/76/167260476.db2.gz VCAIUSAHYZIRHA-ZJUUUORDSA-N 0 0 199.294 1.718 10 0 ADAERN CCN=C1COc2ccc(N)cc2N1 75485686 167260525 /nfs/dbraw/zinc/26/05/25/167260525.db2.gz LUQSPZBACXRXJG-UHFFFAOYSA-N 0 0 191.234 1.301 10 0 ADAERN CCNCC(F)(F)C(F)(F)F 37034675 167261366 /nfs/dbraw/zinc/26/13/66/167261366.db2.gz MLZDMVXXQXXAGF-UHFFFAOYSA-N 0 0 177.116 1.794 10 0 ADAERN CCNCC(F)(F)C(F)F 20518390 167262100 /nfs/dbraw/zinc/26/21/00/167262100.db2.gz CSQDXGIJEJGCAB-UHFFFAOYSA-N 0 0 159.126 1.496 10 0 ADAERN Cc1cnn([C@@H]2CCO[C@H]2C)c1N 134403036 343942495 /nfs/dbraw/zinc/94/24/95/343942495.db2.gz DPPVZXMELAIVGO-JGVFFNPUSA-N 0 0 181.239 1.124 10 0 ADAERN CCNCc1nc([C@H](C)CC)no1 57340835 167276384 /nfs/dbraw/zinc/27/63/84/167276384.db2.gz SFRGNDKEHXBHJH-SSDOTTSWSA-N 0 0 183.255 1.693 10 0 ADAERN CCNCc1nnc([C@H](C)CC)o1 50615589 167276488 /nfs/dbraw/zinc/27/64/88/167276488.db2.gz QAQFRGVWHWSVHJ-SSDOTTSWSA-N 0 0 183.255 1.693 10 0 ADAERN CCNCc1nnc(CC2CC2)o1 50615664 167276585 /nfs/dbraw/zinc/27/65/85/167276585.db2.gz CUGGLDFZMTZUIV-UHFFFAOYSA-N 0 0 181.239 1.132 10 0 ADAERN CCNCc1nn(C)c(C)c1Cl 334983945 167276789 /nfs/dbraw/zinc/27/67/89/167276789.db2.gz DWGZQGUZLHAHBH-UHFFFAOYSA-N 0 0 187.674 1.491 10 0 ADAERN CCNCc1nnc([C@@H]2CCCO2)o1 50615678 167277095 /nfs/dbraw/zinc/27/70/95/167277095.db2.gz BVBLAJWUUCMTEP-ZETCQYMHSA-N 0 0 197.238 1.031 10 0 ADAERN CCNCc1nc(CCC(C)C)no1 44626211 167277197 /nfs/dbraw/zinc/27/71/97/167277197.db2.gz DDOLNICYSJAHAY-UHFFFAOYSA-N 0 0 197.282 1.768 10 0 ADAERN CCNCc1csc(NC(C)=O)n1 76784986 167277206 /nfs/dbraw/zinc/27/72/06/167277206.db2.gz IYLOITFFXSFNGI-UHFFFAOYSA-N 0 0 199.279 1.211 10 0 ADAERN CCNCc1nnc([C@@H](C)CC)o1 50615590 167277250 /nfs/dbraw/zinc/27/72/50/167277250.db2.gz QAQFRGVWHWSVHJ-ZETCQYMHSA-N 0 0 183.255 1.693 10 0 ADAERN CCNCc1nnc([C@@H]2C[C@@H]2C)o1 50615577 167277584 /nfs/dbraw/zinc/27/75/84/167277584.db2.gz VUTUABRAPSQICB-NKWVEPMBSA-N 0 0 181.239 1.303 10 0 ADAERN CCNCc1nnc([C@H]2C[C@H]2C)o1 50615580 167277953 /nfs/dbraw/zinc/27/79/53/167277953.db2.gz VUTUABRAPSQICB-RQJHMYQMSA-N 0 0 181.239 1.303 10 0 ADAERN CCNCc1nnc(C2CCC2)o1 50615616 167278045 /nfs/dbraw/zinc/27/80/45/167278045.db2.gz SIMDDESXIHGFOO-UHFFFAOYSA-N 0 0 181.239 1.447 10 0 ADAERN CCNCc1nnc(CC(C)C)o1 50615617 167278066 /nfs/dbraw/zinc/27/80/66/167278066.db2.gz ATQZJNFRIWFRAR-UHFFFAOYSA-N 0 0 183.255 1.378 10 0 ADAERN CCNCc1nnc([C@@H]2C[C@H]2C)o1 50615579 167278210 /nfs/dbraw/zinc/27/82/10/167278210.db2.gz VUTUABRAPSQICB-RNFRBKRXSA-N 0 0 181.239 1.303 10 0 ADAERN CCNCc1nnc(C(C)(C)C)o1 50615637 167278323 /nfs/dbraw/zinc/27/83/23/167278323.db2.gz ZGZCBFXOALYWGF-UHFFFAOYSA-N 0 0 183.255 1.477 10 0 ADAERN CCNCc1nnc(C(F)F)o1 50615635 167278456 /nfs/dbraw/zinc/27/84/56/167278456.db2.gz RYSCGOJZZKVITJ-UHFFFAOYSA-N 0 0 177.154 1.117 10 0 ADAERN CCNCc1nnc(C2CC2)o1 50615515 167278638 /nfs/dbraw/zinc/27/86/38/167278638.db2.gz FSYYEEPSKXTLPU-UHFFFAOYSA-N 0 0 167.212 1.057 10 0 ADAERN CCNCc1nnc(C2CCCC2)o1 50615671 167278702 /nfs/dbraw/zinc/27/87/02/167278702.db2.gz NKFJVUZABLQHHE-UHFFFAOYSA-N 0 0 195.266 1.837 10 0 ADAERN CCNCc1nc([C@@H](C)CC)no1 57340837 167278766 /nfs/dbraw/zinc/27/87/66/167278766.db2.gz SFRGNDKEHXBHJH-ZETCQYMHSA-N 0 0 183.255 1.693 10 0 ADAERN CCNCc1nnc([C@H]2CCCO2)o1 50615679 167278773 /nfs/dbraw/zinc/27/87/73/167278773.db2.gz BVBLAJWUUCMTEP-SSDOTTSWSA-N 0 0 197.238 1.031 10 0 ADAERN CCNCc1nnc(C(C)C)o1 50615612 167278779 /nfs/dbraw/zinc/27/87/79/167278779.db2.gz IZFCVIRBTCKDPT-UHFFFAOYSA-N 0 0 169.228 1.303 10 0 ADAERN CCNCc1nnc([C@H]2C[C@@H]2C)o1 50615578 167278996 /nfs/dbraw/zinc/27/89/96/167278996.db2.gz VUTUABRAPSQICB-BQBZGAKWSA-N 0 0 181.239 1.303 10 0 ADAERN CCNCc1nnc(CC(C)(C)C)o1 50615594 167279003 /nfs/dbraw/zinc/27/90/03/167279003.db2.gz KBRYXENLDRGAGK-UHFFFAOYSA-N 0 0 197.282 1.768 10 0 ADAERN CCNCc1nnc(CCC(C)C)o1 50615627 167279123 /nfs/dbraw/zinc/27/91/23/167279123.db2.gz ZIIBMAHTWGCFSG-UHFFFAOYSA-N 0 0 197.282 1.768 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1cccc(F)c1 37181746 167279454 /nfs/dbraw/zinc/27/94/54/167279454.db2.gz FTUIHALCFHKSLQ-SECBINFHSA-N 0 0 197.209 1.561 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1cccs1 41672121 167279473 /nfs/dbraw/zinc/27/94/73/167279473.db2.gz YVPXKQZSKBEMER-SSDOTTSWSA-N 0 0 185.248 1.483 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1ccccc1C 37181878 167279618 /nfs/dbraw/zinc/27/96/18/167279618.db2.gz FHYOIEYIXKJWOU-SNVBAGLBSA-N 0 0 193.246 1.730 10 0 ADAERN CCN[C@@H](C(=O)OCC)[C@H](C)CC 41050219 167279673 /nfs/dbraw/zinc/27/96/73/167279673.db2.gz RHGNHNJURXUPNS-RKDXNWHRSA-N 0 0 187.283 1.574 10 0 ADAERN CCNP(=O)(CC)CC 2391287 167279780 /nfs/dbraw/zinc/27/97/80/167279780.db2.gz OEWOOIFUYKDEDH-UHFFFAOYSA-N 0 0 149.174 1.914 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])[C@@H](C)CC 41050200 167279854 /nfs/dbraw/zinc/27/98/54/167279854.db2.gz CPDIYSDSKGPIFR-NKWVEPMBSA-N 0 0 159.229 1.095 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1ccsc1 37181758 167280450 /nfs/dbraw/zinc/28/04/50/167280450.db2.gz GRQZDOGIGFYCDV-SSDOTTSWSA-N 0 0 185.248 1.483 10 0 ADAERN Cc1cc(NCc2cc[nH]c2)no1 134426364 343942925 /nfs/dbraw/zinc/94/29/25/343942925.db2.gz VZDSIAJSFFZBQM-UHFFFAOYSA-N 0 0 177.207 1.923 10 0 ADAERN CCNNc1ccc(F)cc1 167150829 167280641 /nfs/dbraw/zinc/28/06/41/167280641.db2.gz OJIUPULABNVXST-UHFFFAOYSA-N 0 0 154.188 1.762 10 0 ADAERN CCNS(=O)(=O)CC1CCCC1 335574461 167280819 /nfs/dbraw/zinc/28/08/19/167280819.db2.gz FMQPSESHPUHXJL-UHFFFAOYSA-N 0 0 191.296 1.116 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])[C@@H]1CC=CCC1 37182025 167281048 /nfs/dbraw/zinc/28/10/48/167281048.db2.gz KDKDJUDUTXKNOH-RKDXNWHRSA-N 0 0 183.251 1.405 10 0 ADAERN CCN[C@@H](C(=O)OCC)[C@@H](C)CC 41050220 167281070 /nfs/dbraw/zinc/28/10/70/167281070.db2.gz RHGNHNJURXUPNS-DTWKUNHWSA-N 0 0 187.283 1.574 10 0 ADAERN CCN[C@@H](C(=O)OCC)C(C)C 41049522 167281128 /nfs/dbraw/zinc/28/11/28/167281128.db2.gz MURQBHXEPVIOAZ-MRVPVSSYSA-N 0 0 173.256 1.184 10 0 ADAERN Cc1cc(NCc2ccn(C)c2)no1 134425074 343942928 /nfs/dbraw/zinc/94/29/28/343942928.db2.gz AXGAHTHAFOXVKG-UHFFFAOYSA-N 0 0 191.234 1.934 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])[C@H](C)CC 41050199 167281251 /nfs/dbraw/zinc/28/12/51/167281251.db2.gz CPDIYSDSKGPIFR-RNFRBKRXSA-N 0 0 159.229 1.095 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)c1cccnc1 134437940 343942932 /nfs/dbraw/zinc/94/29/32/343942932.db2.gz NLOJXCPSXMHNST-WPRPVWTQSA-N 0 0 179.219 1.078 10 0 ADAERN CCN[C@@H](C(=O)OC)c1cccs1 41672157 167281506 /nfs/dbraw/zinc/28/15/06/167281506.db2.gz OTZWKOCOCLLHHR-MRVPVSSYSA-N 0 0 199.275 1.572 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1sccc1C 41673670 167281623 /nfs/dbraw/zinc/28/16/23/167281623.db2.gz DAKGXWUUPWIIIP-SSDOTTSWSA-N 0 0 199.275 1.792 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1ccc(C)s1 41675716 167281686 /nfs/dbraw/zinc/28/16/86/167281686.db2.gz VNLUBBJHEAXKBV-MRVPVSSYSA-N 0 0 199.275 1.792 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])[C@H]1CC=CCC1 37182021 167281725 /nfs/dbraw/zinc/28/17/25/167281725.db2.gz KDKDJUDUTXKNOH-DTWKUNHWSA-N 0 0 183.251 1.405 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])C(CC)CC 41049782 167281784 /nfs/dbraw/zinc/28/17/84/167281784.db2.gz AQALCBBCTPKTRD-MRVPVSSYSA-N 0 0 173.256 1.485 10 0 ADAERN CCN[C@@H](C(=O)OC)C(CC)CC 41049794 167282000 /nfs/dbraw/zinc/28/20/00/167282000.db2.gz IOAAOAFUZRGWHA-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1cccc(C)c1 37181754 167282093 /nfs/dbraw/zinc/28/20/93/167282093.db2.gz SILZPNACTKIDDA-SNVBAGLBSA-N 0 0 193.246 1.730 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1cccc(O)c1 37181929 167282166 /nfs/dbraw/zinc/28/21/66/167282166.db2.gz DZBSYBJCFNNARH-SECBINFHSA-N 0 0 195.218 1.127 10 0 ADAERN CC[NH2+][C@@H](C(=O)[O-])c1ccc(O)cc1 37181932 167282564 /nfs/dbraw/zinc/28/25/64/167282564.db2.gz AEZCECXXXGDGFU-SECBINFHSA-N 0 0 195.218 1.127 10 0 ADAERN CCN[C@@H](C)c1nnc(CC(C)C)o1 50618911 167283797 /nfs/dbraw/zinc/28/37/97/167283797.db2.gz ANKNTQZNPSJZLZ-QMMMGPOBSA-N 0 0 197.282 1.939 10 0 ADAERN CCN[C@@H](C)c1nnc(CC2CC2)o1 50618999 167283847 /nfs/dbraw/zinc/28/38/47/167283847.db2.gz QGTTWIZGWQWMTM-ZETCQYMHSA-N 0 0 195.266 1.693 10 0 ADAERN CCN[C@@H](C)c1nnc(C2CC2)o1 50618705 167284764 /nfs/dbraw/zinc/28/47/64/167284764.db2.gz GLQSWERXWITZBR-LURJTMIESA-N 0 0 181.239 1.618 10 0 ADAERN CC[NH2+][C@@H](CC(C)C)C(=O)[O-] 37181942 167285239 /nfs/dbraw/zinc/28/52/39/167285239.db2.gz OLTRFLJKPXPCCI-ZETCQYMHSA-N 0 0 159.229 1.095 10 0 ADAERN CC[NH2+][C@@H]1CCC[C@H](C(=O)[O-])C1 70603148 167290642 /nfs/dbraw/zinc/29/06/42/167290642.db2.gz OQMURAPZUFOZDZ-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN CC[NH2+][C@@H]1CCCc2o[n-]c(=O)c21 13803352 167292338 /nfs/dbraw/zinc/29/23/38/167292338.db2.gz PLFMRANKCCGTGI-ZCFIWIBFSA-N 0 0 182.223 1.367 10 0 ADAERN CC[NH2+][C@@H]1CCC[C@@H](C(=O)[O-])C1 70603152 167292366 /nfs/dbraw/zinc/29/23/66/167292366.db2.gz OQMURAPZUFOZDZ-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN CC[NH2+][C@@](C)(C(=O)[O-])C(C)C 52883715 167292677 /nfs/dbraw/zinc/29/26/77/167292677.db2.gz CVTOLKMRGMIIKI-MRVPVSSYSA-N 0 0 159.229 1.095 10 0 ADAERN CCN[C@H](C(=O)OC)c1cccs1 41672154 167292703 /nfs/dbraw/zinc/29/27/03/167292703.db2.gz OTZWKOCOCLLHHR-QMMMGPOBSA-N 0 0 199.275 1.572 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])[C@H](C)CC 41050197 167292825 /nfs/dbraw/zinc/29/28/25/167292825.db2.gz CPDIYSDSKGPIFR-RQJHMYQMSA-N 0 0 159.229 1.095 10 0 ADAERN CC[NH2+][C@@](C)(CCSC)C(=O)[O-] 45595209 167292866 /nfs/dbraw/zinc/29/28/66/167292866.db2.gz AILXGRXJHIGPJB-QMMMGPOBSA-N 0 0 191.296 1.192 10 0 ADAERN CCN[C@H](C(=O)OCC)C(C)C 41049521 167292895 /nfs/dbraw/zinc/29/28/95/167292895.db2.gz MURQBHXEPVIOAZ-QMMMGPOBSA-N 0 0 173.256 1.184 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1sccc1C 41673667 167292965 /nfs/dbraw/zinc/29/29/65/167292965.db2.gz DAKGXWUUPWIIIP-ZETCQYMHSA-N 0 0 199.275 1.792 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1cccc(O)c1 37181927 167293071 /nfs/dbraw/zinc/29/30/71/167293071.db2.gz DZBSYBJCFNNARH-VIFPVBQESA-N 0 0 195.218 1.127 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCC[C@H](C)C1 37181313 167293116 /nfs/dbraw/zinc/29/31/16/167293116.db2.gz PINXNXRSOHYAOK-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1cccs1 41672118 167293235 /nfs/dbraw/zinc/29/32/35/167293235.db2.gz YVPXKQZSKBEMER-ZETCQYMHSA-N 0 0 185.248 1.483 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCCC[C@@H]1C 37181291 167293263 /nfs/dbraw/zinc/29/32/63/167293263.db2.gz AVVVYVBLKZVRIK-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN CCN[C@@]1(C(=O)OC)CCC[C@@H](C)C1 37446664 167293272 /nfs/dbraw/zinc/29/32/72/167293272.db2.gz AHOSVPOPSRTDRS-KOLCDFICSA-N 0 0 199.294 1.718 10 0 ADAERN CCN[C@H](C(=O)OCC)[C@@H](C)CC 41050218 167293546 /nfs/dbraw/zinc/29/35/46/167293546.db2.gz RHGNHNJURXUPNS-IUCAKERBSA-N 0 0 187.283 1.574 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])[C@@H]1CC=CCC1 37182023 167293562 /nfs/dbraw/zinc/29/35/62/167293562.db2.gz KDKDJUDUTXKNOH-BDAKNGLRSA-N 0 0 183.251 1.405 10 0 ADAERN CCN[C@@H]1OC(=O)c2ccccc21 59601817 167293700 /nfs/dbraw/zinc/29/37/00/167293700.db2.gz CJSOSUBVRGWJCL-SECBINFHSA-N 0 0 177.203 1.465 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1ccccc1C 37181876 167293715 /nfs/dbraw/zinc/29/37/15/167293715.db2.gz FHYOIEYIXKJWOU-JTQLQIEISA-N 0 0 193.246 1.730 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])[C@H]1CC=CCC1 37182019 167293861 /nfs/dbraw/zinc/29/38/61/167293861.db2.gz KDKDJUDUTXKNOH-IUCAKERBSA-N 0 0 183.251 1.405 10 0 ADAERN CCN[C@@](C)(C(=O)OC)C(C)C 52883727 167293939 /nfs/dbraw/zinc/29/39/39/167293939.db2.gz DBMKUBFXPZZMDM-SECBINFHSA-N 0 0 173.256 1.184 10 0 ADAERN CCN[C@@]1(C(=O)OC)CCCC[C@@H]1C 37446652 167294020 /nfs/dbraw/zinc/29/40/20/167294020.db2.gz LRRIDZDAFUKMRQ-ONGXEEELSA-N 0 0 199.294 1.718 10 0 ADAERN CCN[C@H](C(=O)OC)C(CC)CC 41049793 167294175 /nfs/dbraw/zinc/29/41/75/167294175.db2.gz IOAAOAFUZRGWHA-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN CCN[C@@](C)(C(=O)OCC)C(C)C 52883729 167294269 /nfs/dbraw/zinc/29/42/69/167294269.db2.gz RDDQZSYBCHBBLI-SNVBAGLBSA-N 0 0 187.283 1.574 10 0 ADAERN CCN[C@@]1(C(=O)OC)CCCC[C@H]1C 37446654 167294332 /nfs/dbraw/zinc/29/43/32/167294332.db2.gz LRRIDZDAFUKMRQ-KOLCDFICSA-N 0 0 199.294 1.718 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1ccc(O)cc1 37181931 167294365 /nfs/dbraw/zinc/29/43/65/167294365.db2.gz AEZCECXXXGDGFU-VIFPVBQESA-N 0 0 195.218 1.127 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])C(CC)CC 41049781 167294397 /nfs/dbraw/zinc/29/43/97/167294397.db2.gz AQALCBBCTPKTRD-QMMMGPOBSA-N 0 0 173.256 1.485 10 0 ADAERN CCN[C@H](C(=O)OCC)[C@H](C)CC 41050217 167294604 /nfs/dbraw/zinc/29/46/04/167294604.db2.gz RHGNHNJURXUPNS-BDAKNGLRSA-N 0 0 187.283 1.574 10 0 ADAERN CCN[C@@]1(C(=O)OC)CCC[C@H](C)C1 37446662 167294704 /nfs/dbraw/zinc/29/47/04/167294704.db2.gz AHOSVPOPSRTDRS-ONGXEEELSA-N 0 0 199.294 1.718 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCCC[C@H]1C 37181295 167294784 /nfs/dbraw/zinc/29/47/84/167294784.db2.gz AVVVYVBLKZVRIK-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1cccc(C)c1 37181752 167294921 /nfs/dbraw/zinc/29/49/21/167294921.db2.gz SILZPNACTKIDDA-JTQLQIEISA-N 0 0 193.246 1.730 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1ccsc1 37181756 167295074 /nfs/dbraw/zinc/29/50/74/167295074.db2.gz GRQZDOGIGFYCDV-ZETCQYMHSA-N 0 0 185.248 1.483 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](C)C1 37181317 167295085 /nfs/dbraw/zinc/29/50/85/167295085.db2.gz PINXNXRSOHYAOK-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1ccc(C)s1 41675711 167295168 /nfs/dbraw/zinc/29/51/68/167295168.db2.gz VNLUBBJHEAXKBV-QMMMGPOBSA-N 0 0 199.275 1.792 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])c1cccc(F)c1 37181745 167295173 /nfs/dbraw/zinc/29/51/73/167295173.db2.gz FTUIHALCFHKSLQ-VIFPVBQESA-N 0 0 197.209 1.561 10 0 ADAERN C[C@H]1OCC[C@@H]1Nc1cccc(N)c1 134518578 343944414 /nfs/dbraw/zinc/94/44/14/343944414.db2.gz HFCJAKRVVPIGIJ-KCJUWKMLSA-N 0 0 192.262 1.858 10 0 ADAERN CCN[C@H](C)c1nnc([C@H]2C[C@@H]2C)o1 50618842 167297898 /nfs/dbraw/zinc/29/78/98/167297898.db2.gz RVWMQTSDLADIFO-RNJXMRFFSA-N 0 0 195.266 1.864 10 0 ADAERN CC[NH2+][C@H](CC(C)C)C(=O)[O-] 37181944 167298018 /nfs/dbraw/zinc/29/80/18/167298018.db2.gz OLTRFLJKPXPCCI-SSDOTTSWSA-N 0 0 159.229 1.095 10 0 ADAERN CCN[C@H](C)c1nnc(CC2CC2)o1 50619000 167299030 /nfs/dbraw/zinc/29/90/30/167299030.db2.gz QGTTWIZGWQWMTM-SSDOTTSWSA-N 0 0 195.266 1.693 10 0 ADAERN O=C1CSC[C@@H]1C[C@H]1CCCO1 134556199 343944665 /nfs/dbraw/zinc/94/46/65/343944665.db2.gz DXNMDLLQXFTQJD-JGVFFNPUSA-N 0 0 186.276 1.488 10 0 ADAERN CC[NH2+][C@H]1CCCc2o[n-]c(=O)c21 13803353 167301988 /nfs/dbraw/zinc/30/19/88/167301988.db2.gz PLFMRANKCCGTGI-LURJTMIESA-N 0 0 182.223 1.367 10 0 ADAERN CC[NH2+][C@H]1CCC[C@@H](C(=O)[O-])C1 70603158 167302943 /nfs/dbraw/zinc/30/29/43/167302943.db2.gz OQMURAPZUFOZDZ-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN CC[NH2+][C@H]1CCC[C@H](C(=O)[O-])C1 70603151 167302991 /nfs/dbraw/zinc/30/29/91/167302991.db2.gz OQMURAPZUFOZDZ-YUMQZZPRSA-N 0 0 171.240 1.239 10 0 ADAERN CCNc1n[nH]c2c1CCC2 62668043 167303325 /nfs/dbraw/zinc/30/33/25/167303325.db2.gz YQVSBJASQZGSET-UHFFFAOYSA-N 0 0 151.213 1.330 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1C 37181293 167303481 /nfs/dbraw/zinc/30/34/81/167303481.db2.gz AVVVYVBLKZVRIK-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CCN[C@](C)(C(=O)OC)C(C)C 52883726 167303511 /nfs/dbraw/zinc/30/35/11/167303511.db2.gz DBMKUBFXPZZMDM-VIFPVBQESA-N 0 0 173.256 1.184 10 0 ADAERN CCN[C@]1(C(=O)OC)CCCC[C@H]1C 37446653 167303516 /nfs/dbraw/zinc/30/35/16/167303516.db2.gz LRRIDZDAFUKMRQ-MWLCHTKSSA-N 0 0 199.294 1.718 10 0 ADAERN CCNc1n[nH]c(C)c1Cl 39133920 167303533 /nfs/dbraw/zinc/30/35/33/167303533.db2.gz VDXCJRICBXQAPG-UHFFFAOYSA-N 0 0 159.620 1.803 10 0 ADAERN CCN[C@](C)(C(=O)OCC)C(C)C 52883728 167303642 /nfs/dbraw/zinc/30/36/42/167303642.db2.gz RDDQZSYBCHBBLI-JTQLQIEISA-N 0 0 187.283 1.574 10 0 ADAERN CCN[C@]1(C(=O)OC)CCC[C@@H](C)C1 37446663 167303689 /nfs/dbraw/zinc/30/36/89/167303689.db2.gz AHOSVPOPSRTDRS-MWLCHTKSSA-N 0 0 199.294 1.718 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)C1 37181311 167303886 /nfs/dbraw/zinc/30/38/86/167303886.db2.gz PINXNXRSOHYAOK-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN CCNc1c(C)n[nH]c1C 36734758 167304016 /nfs/dbraw/zinc/30/40/16/167304016.db2.gz XHLCYCOQUBURNB-UHFFFAOYSA-N 0 0 139.202 1.458 10 0 ADAERN CCNc1n[nH]c(C)c1COC 62668090 167304389 /nfs/dbraw/zinc/30/43/89/167304389.db2.gz IFCPHIMTMCSRRC-UHFFFAOYSA-N 0 0 169.228 1.296 10 0 ADAERN CCN[C@]1(C(=O)OC)CCCC[C@@H]1C 37446651 167304429 /nfs/dbraw/zinc/30/44/29/167304429.db2.gz LRRIDZDAFUKMRQ-GXSJLCMTSA-N 0 0 199.294 1.718 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCCC[C@@H]1C 37181289 167304577 /nfs/dbraw/zinc/30/45/77/167304577.db2.gz AVVVYVBLKZVRIK-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H](C)C1 37181315 167304801 /nfs/dbraw/zinc/30/48/01/167304801.db2.gz PINXNXRSOHYAOK-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CCN[C@]1(C(=O)OC)CCC[C@H](C)C1 37446661 167304968 /nfs/dbraw/zinc/30/49/68/167304968.db2.gz AHOSVPOPSRTDRS-GXSJLCMTSA-N 0 0 199.294 1.718 10 0 ADAERN CCN[C@H]1OC(=O)c2ccccc21 59601813 167305072 /nfs/dbraw/zinc/30/50/72/167305072.db2.gz CJSOSUBVRGWJCL-VIFPVBQESA-N 0 0 177.203 1.465 10 0 ADAERN CC[NH2+][C@](C)(C(=O)[O-])C(C)C 52883714 167305357 /nfs/dbraw/zinc/30/53/57/167305357.db2.gz CVTOLKMRGMIIKI-QMMMGPOBSA-N 0 0 159.229 1.095 10 0 ADAERN CCNc1n[nH]c2c1CCCC2 62667991 167305417 /nfs/dbraw/zinc/30/54/17/167305417.db2.gz BUYQZUMBFCTWIK-UHFFFAOYSA-N 0 0 165.240 1.720 10 0 ADAERN CC[NH2+][C@](C)(CCSC)C(=O)[O-] 45595211 167305484 /nfs/dbraw/zinc/30/54/84/167305484.db2.gz AILXGRXJHIGPJB-MRVPVSSYSA-N 0 0 191.296 1.192 10 0 ADAERN CCNc1c(C(=O)OCC)ccn1C 39084268 167305514 /nfs/dbraw/zinc/30/55/14/167305514.db2.gz CTXBMFMOYWZGMQ-UHFFFAOYSA-N 0 0 196.250 1.634 10 0 ADAERN CCNc1cc(C)c(C)nn1 54931193 167305836 /nfs/dbraw/zinc/30/58/36/167305836.db2.gz SMBCMILOVHEVTH-UHFFFAOYSA-N 0 0 151.213 1.525 10 0 ADAERN CCNc1cc(C(F)(F)F)nn1C 95091431 167305849 /nfs/dbraw/zinc/30/58/49/167305849.db2.gz MXROYXDOOHQYRF-UHFFFAOYSA-N 0 0 193.172 1.871 10 0 ADAERN CCNc1c(N)ccc(F)c1F 53163409 167305935 /nfs/dbraw/zinc/30/59/35/167305935.db2.gz UOSIXHSMXDDOTR-UHFFFAOYSA-N 0 0 172.178 1.979 10 0 ADAERN CCNc1cc(OC)c(OC)cc1N 82722939 167305941 /nfs/dbraw/zinc/30/59/41/167305941.db2.gz MSUNGVRKIMSRBM-UHFFFAOYSA-N 0 0 196.250 1.718 10 0 ADAERN CCNc1c(F)cc(N)cc1F 38039870 167306062 /nfs/dbraw/zinc/30/60/62/167306062.db2.gz ATOQUYBHNWHEMM-UHFFFAOYSA-N 0 0 172.178 1.979 10 0 ADAERN CCNc1cc(C)no1 113686620 167306174 /nfs/dbraw/zinc/30/61/74/167306174.db2.gz GVONDJIPXGUCHI-UHFFFAOYSA-N 0 0 126.159 1.415 10 0 ADAERN CCNc1cc(C(N)=O)ccc1Cl 36943562 167306191 /nfs/dbraw/zinc/30/61/91/167306191.db2.gz CMXJGWSBEPJKED-UHFFFAOYSA-N 0 0 198.653 1.871 10 0 ADAERN CCNc1cc(N)cc(F)c1 37666669 167306204 /nfs/dbraw/zinc/30/62/04/167306204.db2.gz TXPSGMAOJDNJTO-UHFFFAOYSA-N 0 0 154.188 1.840 10 0 ADAERN CCNc1c(F)cccc1C(N)=O 54206817 167306236 /nfs/dbraw/zinc/30/62/36/167306236.db2.gz CJCQLOKBKARORW-UHFFFAOYSA-N 0 0 182.198 1.356 10 0 ADAERN CCNc1cc(COC)nc(C)n1 51697573 167306314 /nfs/dbraw/zinc/30/63/14/167306314.db2.gz XTEMIPMZPHHQSP-UHFFFAOYSA-N 0 0 181.239 1.363 10 0 ADAERN CCNc1cc2c(nn1)CCSC2 54931196 167306333 /nfs/dbraw/zinc/30/63/33/167306333.db2.gz VZYOWRSODZSXGK-UHFFFAOYSA-N 0 0 195.291 1.698 10 0 ADAERN CCNc1cc(C2CC2)[nH]n1 62667825 167306367 /nfs/dbraw/zinc/30/63/67/167306367.db2.gz ZDDDINXOMXYUGO-UHFFFAOYSA-N 0 0 151.213 1.719 10 0 ADAERN CCNc1ccc(=O)n(CC)c1 37773711 167306371 /nfs/dbraw/zinc/30/63/71/167306371.db2.gz VYONDNWKHPOBKA-UHFFFAOYSA-N 0 0 166.224 1.300 10 0 ADAERN CCNc1cc(C)nn1C 62796918 167306397 /nfs/dbraw/zinc/30/63/97/167306397.db2.gz WCHMVMBJFWVJAX-UHFFFAOYSA-N 0 0 139.202 1.160 10 0 ADAERN CCNc1cc(CC)nc(COC)n1 50851309 167306458 /nfs/dbraw/zinc/30/64/58/167306458.db2.gz IJLUFBISRQYLIV-UHFFFAOYSA-N 0 0 195.266 1.617 10 0 ADAERN CCNc1cc(Cl)ccc1C(N)=O 85346013 167306519 /nfs/dbraw/zinc/30/65/19/167306519.db2.gz XKNOMBFZQMSVKU-UHFFFAOYSA-N 0 0 198.653 1.871 10 0 ADAERN CCNc1cc(C)n(C)n1 82410415 167306543 /nfs/dbraw/zinc/30/65/43/167306543.db2.gz XVBOGEYTNZMGOW-UHFFFAOYSA-N 0 0 139.202 1.160 10 0 ADAERN CCNc1cc(OC)nc(CC)n1 82482563 167306603 /nfs/dbraw/zinc/30/66/03/167306603.db2.gz NEQHCODSOGOAOT-UHFFFAOYSA-N 0 0 181.239 1.479 10 0 ADAERN CCNc1cc2c(cc(N)n2OC)o1 39126788 167306616 /nfs/dbraw/zinc/30/66/16/167306616.db2.gz VLKKENFLBFULLT-UHFFFAOYSA-N 0 0 195.222 1.307 10 0 ADAERN CCNc1cc(OC)nc(C2CC2)n1 82491113 167306628 /nfs/dbraw/zinc/30/66/28/167306628.db2.gz DOCMKSBQXJKGNJ-UHFFFAOYSA-N 0 0 193.250 1.794 10 0 ADAERN CCNc1cc2c(nn1)CCCC2 50266247 167306655 /nfs/dbraw/zinc/30/66/55/167306655.db2.gz WMGXSDOGRYZNQD-UHFFFAOYSA-N 0 0 177.251 1.787 10 0 ADAERN CCNc1cc(C(N)=O)cc(F)c1C 37120277 167306658 /nfs/dbraw/zinc/30/66/58/167306658.db2.gz TYVCQHLZXJMDSG-UHFFFAOYSA-N 0 0 196.225 1.665 10 0 ADAERN CCNc1cc(COC)ncn1 51697571 167306722 /nfs/dbraw/zinc/30/67/22/167306722.db2.gz BHZGMCUOUPHQRS-UHFFFAOYSA-N 0 0 167.212 1.055 10 0 ADAERN CCNc1cc(-c2ccncc2)[nH]n1 62667817 167306741 /nfs/dbraw/zinc/30/67/41/167306741.db2.gz JTKFOWZJTVDZCQ-UHFFFAOYSA-N 0 0 188.234 1.904 10 0 ADAERN CCNc1ccc(-n2ccnc2)nc1 37040728 167306745 /nfs/dbraw/zinc/30/67/45/167306745.db2.gz BQSKJTMLULPFLX-UHFFFAOYSA-N 0 0 188.234 1.699 10 0 ADAERN CCNc1cc(-n2cccn2)ncn1 64543371 167306785 /nfs/dbraw/zinc/30/67/85/167306785.db2.gz MZMLLAFNOMWVCB-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CCNc1cc2c(cc1N)OCCO2 20381706 167307062 /nfs/dbraw/zinc/30/70/62/167307062.db2.gz ABEKBSQHWKBNEQ-UHFFFAOYSA-N 0 0 194.234 1.472 10 0 ADAERN CCNc1cc(C)nc(CCOC)n1 50848927 167307165 /nfs/dbraw/zinc/30/71/65/167307165.db2.gz KLJVMPYLHOHYGT-UHFFFAOYSA-N 0 0 195.266 1.406 10 0 ADAERN CCNc1cc(C(N)=O)cc(Cl)n1 50744565 167307387 /nfs/dbraw/zinc/30/73/87/167307387.db2.gz SMZGDEVSAYNWND-UHFFFAOYSA-N 0 0 199.641 1.266 10 0 ADAERN CCNc1cc(OC)nc(C)n1 82482513 167307423 /nfs/dbraw/zinc/30/74/23/167307423.db2.gz AHKOYXZHKLMMDL-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN CCNc1c(O)cc(O)cc1O 71452058 167307436 /nfs/dbraw/zinc/30/74/36/167307436.db2.gz KYHRBYKVSFVDJF-UHFFFAOYSA-N 0 0 169.180 1.235 10 0 ADAERN CCNc1cc(COC)ccn1 52734234 167307444 /nfs/dbraw/zinc/30/74/44/167307444.db2.gz JMNLNPDRNLXLKG-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN CCNc1cc(OCC)nc(CC)n1 82482771 167307460 /nfs/dbraw/zinc/30/74/60/167307460.db2.gz ANCYETXFARYGQK-UHFFFAOYSA-N 0 0 195.266 1.870 10 0 ADAERN CCNc1cc(C(N)=O)ccc1OC 37119690 167307471 /nfs/dbraw/zinc/30/74/71/167307471.db2.gz ROIVTALRCXQRLE-UHFFFAOYSA-N 0 0 194.234 1.226 10 0 ADAERN CCNc1cc(C2CC2)nn1C 95091433 167307484 /nfs/dbraw/zinc/30/74/84/167307484.db2.gz JUGUBWXFNPNGHT-UHFFFAOYSA-N 0 0 165.240 1.729 10 0 ADAERN CCNc1cc(-c2cccnc2)[nH]n1 62667822 167307495 /nfs/dbraw/zinc/30/74/95/167307495.db2.gz UGURYFJYJSMXCK-UHFFFAOYSA-N 0 0 188.234 1.904 10 0 ADAERN CCNc1cc(C)c2nc(N)nn2c1 82729742 167307543 /nfs/dbraw/zinc/30/75/43/167307543.db2.gz BQGVEOWMEHKWPD-UHFFFAOYSA-N 0 0 191.238 1.052 10 0 ADAERN CCNc1cc(C)on1 34188945 167307548 /nfs/dbraw/zinc/30/75/48/167307548.db2.gz IRLRYTATPGGABP-UHFFFAOYSA-N 0 0 126.159 1.415 10 0 ADAERN CCNc1cc(OCC(C)C)ncn1 82482343 167307555 /nfs/dbraw/zinc/30/75/55/167307555.db2.gz IJDXGWSBHUWQMV-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN CCNc1cc(F)nc(F)n1 39088789 167307567 /nfs/dbraw/zinc/30/75/67/167307567.db2.gz BBEUWZGGHMMVED-UHFFFAOYSA-N 0 0 159.139 1.187 10 0 ADAERN CCNc1ccc(-n2cccn2)nc1 37019931 167307587 /nfs/dbraw/zinc/30/75/87/167307587.db2.gz FXWUQNFLXVRKSM-UHFFFAOYSA-N 0 0 188.234 1.699 10 0 ADAERN CCNc1cc(C)nc(SC)n1 90460048 167307656 /nfs/dbraw/zinc/30/76/56/167307656.db2.gz UQNQWKQCURPNCV-UHFFFAOYSA-N 0 0 183.280 1.939 10 0 ADAERN CCNc1cc(CC)ncn1 40765004 167307683 /nfs/dbraw/zinc/30/76/83/167307683.db2.gz FABDXAXJSWAKNJ-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN CCNc1cc[nH]c1 106621654 167307697 /nfs/dbraw/zinc/30/76/97/167307697.db2.gz CFFPHYHCNTVGRJ-UHFFFAOYSA-N 0 0 110.160 1.447 10 0 ADAERN CCNc1c(C)nn(C)c1C 20135458 167307720 /nfs/dbraw/zinc/30/77/20/167307720.db2.gz HMOXKQHAJHXDMH-UHFFFAOYSA-N 0 0 153.229 1.469 10 0 ADAERN CCNc1cc2c(cc1N)CC(=O)N2 35345199 167307724 /nfs/dbraw/zinc/30/77/24/167307724.db2.gz DOALJRODWVOPRQ-UHFFFAOYSA-N 0 0 191.234 1.195 10 0 ADAERN CCNc1cc(C(C)C)[nH]n1 62667828 167307731 /nfs/dbraw/zinc/30/77/31/167307731.db2.gz PQKMHQSVCJBKEU-UHFFFAOYSA-N 0 0 153.229 1.965 10 0 ADAERN CCNc1cc(C(=O)OC)ccc1O 34450456 167307769 /nfs/dbraw/zinc/30/77/69/167307769.db2.gz NVQHKDJCFKIJDQ-UHFFFAOYSA-N 0 0 195.218 1.611 10 0 ADAERN CCNc1cc(COC)c(C)nn1 54931194 167307787 /nfs/dbraw/zinc/30/77/87/167307787.db2.gz HNFKXZZRQRKGPP-UHFFFAOYSA-N 0 0 181.239 1.363 10 0 ADAERN CCNc1cc(C(=O)NC)ccc1C 37086681 167307840 /nfs/dbraw/zinc/30/78/40/167307840.db2.gz SWADIXOHVRMUGF-UHFFFAOYSA-N 0 0 192.262 1.786 10 0 ADAERN CCNc1cc(-c2c[nH]cn2)ccn1 29389366 167307869 /nfs/dbraw/zinc/30/78/69/167307869.db2.gz QINCZIYMEBOQSJ-UHFFFAOYSA-N 0 0 188.234 1.904 10 0 ADAERN CCNc1cc(-c2ccccn2)[nH]n1 62667821 167307885 /nfs/dbraw/zinc/30/78/85/167307885.db2.gz SDRWFUQINYTWRQ-UHFFFAOYSA-N 0 0 188.234 1.904 10 0 ADAERN CCNc1c(N(C)C)ccnc1OC 36941900 167307889 /nfs/dbraw/zinc/30/78/89/167307889.db2.gz ZABLMUWYVUCLHE-UHFFFAOYSA-N 0 0 195.266 1.588 10 0 ADAERN CCNc1c(F)cccc1C(=O)NC 54205919 167307901 /nfs/dbraw/zinc/30/79/01/167307901.db2.gz RBVXLVLQEXVWJU-UHFFFAOYSA-N 0 0 196.225 1.617 10 0 ADAERN CCNc1ccc(-n2cncn2)nc1 36990593 167307925 /nfs/dbraw/zinc/30/79/25/167307925.db2.gz UHJLLKZDALVRGM-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CCNc1cc(CC)on1 95091439 167307950 /nfs/dbraw/zinc/30/79/50/167307950.db2.gz FNZFIEIJTIJWGH-UHFFFAOYSA-N 0 0 140.186 1.669 10 0 ADAERN CCNc1cc(COC)nc(CC)n1 51697589 167308039 /nfs/dbraw/zinc/30/80/39/167308039.db2.gz JGDDSFKYLKXAKQ-UHFFFAOYSA-N 0 0 195.266 1.617 10 0 ADAERN CCNc1cc(C)c(CC)nn1 54931161 167308059 /nfs/dbraw/zinc/30/80/59/167308059.db2.gz SSUMQMRGYRGDQJ-UHFFFAOYSA-N 0 0 165.240 1.779 10 0 ADAERN CCNc1ccc2c(c1)OCCN2 36242046 167308273 /nfs/dbraw/zinc/30/82/73/167308273.db2.gz FHUXTGIYUUWRDR-UHFFFAOYSA-N 0 0 178.235 1.923 10 0 ADAERN CCNc1cccc(OC)n1 34595868 167308435 /nfs/dbraw/zinc/30/84/35/167308435.db2.gz QFCMZIPUZKQFQF-UHFFFAOYSA-N 0 0 152.197 1.522 10 0 ADAERN CCNc1ccc2c(c1)CC(=O)N2 82587810 167308750 /nfs/dbraw/zinc/30/87/50/167308750.db2.gz XELCZOBMQHBQCD-UHFFFAOYSA-N 0 0 176.219 1.613 10 0 ADAERN CCNc1ccc(NC[C@@H](C)O)nc1 41626377 167308755 /nfs/dbraw/zinc/30/87/55/167308755.db2.gz OMGRNBMPSABTCO-MRVPVSSYSA-N 0 0 195.266 1.306 10 0 ADAERN CCNc1ccc(NCC)nc1 41626368 167308772 /nfs/dbraw/zinc/30/87/72/167308772.db2.gz YJUBXWAADOCTIM-UHFFFAOYSA-N 0 0 165.240 1.945 10 0 ADAERN CCNc1ccnc(CCOC)n1 50863854 167308797 /nfs/dbraw/zinc/30/87/97/167308797.db2.gz RMRIDZSRAAZLBO-UHFFFAOYSA-N 0 0 181.239 1.097 10 0 ADAERN CCNc1cccc(O)c1N 96331650 167308883 /nfs/dbraw/zinc/30/88/83/167308883.db2.gz BQMICSCSADVJQA-UHFFFAOYSA-N 0 0 152.197 1.406 10 0 ADAERN CCNc1ccc2c(c1)NCCO2 36242068 167308962 /nfs/dbraw/zinc/30/89/62/167308962.db2.gz SJPCVOFSVFHAAB-UHFFFAOYSA-N 0 0 178.235 1.923 10 0 ADAERN CCNc1ccccc1-n1cncn1 37042401 167309062 /nfs/dbraw/zinc/30/90/62/167309062.db2.gz UQHOZPOTQUQJAC-UHFFFAOYSA-N 0 0 188.234 1.699 10 0 ADAERN CCNc1ccnc(CSC)n1 54497227 167309089 /nfs/dbraw/zinc/30/90/89/167309089.db2.gz JWFNZFZTFZDOLA-UHFFFAOYSA-N 0 0 183.280 1.771 10 0 ADAERN CCNc1cccc(C(N)=O)c1 20124999 167309102 /nfs/dbraw/zinc/30/91/02/167309102.db2.gz BHUWFCUQQHALLR-UHFFFAOYSA-N 0 0 164.208 1.217 10 0 ADAERN CCNc1cccnc1-n1cccn1 37122137 167309125 /nfs/dbraw/zinc/30/91/25/167309125.db2.gz SIFSFEBZAVXCPN-UHFFFAOYSA-N 0 0 188.234 1.699 10 0 ADAERN CCNc1cccnc1N(C)C 37029057 167309195 /nfs/dbraw/zinc/30/91/95/167309195.db2.gz VHVUBOQYBIFEEK-UHFFFAOYSA-N 0 0 165.240 1.579 10 0 ADAERN CCNc1ccnc(C(F)(F)F)n1 38545744 167309248 /nfs/dbraw/zinc/30/92/48/167309248.db2.gz QVKNTFXBCVTJBX-UHFFFAOYSA-N 0 0 191.156 1.927 10 0 ADAERN CCNc1cccc(C(=O)N(C)C)n1 51068985 167309267 /nfs/dbraw/zinc/30/92/67/167309267.db2.gz JBIIJXLZBZTNBH-UHFFFAOYSA-N 0 0 193.250 1.215 10 0 ADAERN CCNc1ccccc1CC(N)=O 37125184 167309324 /nfs/dbraw/zinc/30/93/24/167309324.db2.gz IUUJXDTWCXOKAY-UHFFFAOYSA-N 0 0 178.235 1.146 10 0 ADAERN CCNc1ccccc1-n1cnnn1 37015521 167309337 /nfs/dbraw/zinc/30/93/37/167309337.db2.gz VTLIOOUNHMBITN-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CCNc1cccc(NC(N)=O)c1 37136032 167309344 /nfs/dbraw/zinc/30/93/44/167309344.db2.gz JXHXWXNAYNOXSG-UHFFFAOYSA-N 0 0 179.223 1.609 10 0 ADAERN CCNc1ccc(N(C)C)nc1 36989131 167309376 /nfs/dbraw/zinc/30/93/76/167309376.db2.gz WXQWXKWHPJGNIU-UHFFFAOYSA-N 0 0 165.240 1.579 10 0 ADAERN CCNc1cccnc1-n1cncn1 40495936 167309385 /nfs/dbraw/zinc/30/93/85/167309385.db2.gz IPUFMEVAGWHOKC-UHFFFAOYSA-N 0 0 189.222 1.094 10 0 ADAERN CCNc1ccc2[nH]cnc2c1 82405032 167309438 /nfs/dbraw/zinc/30/94/38/167309438.db2.gz IUNSCUJDXYSUPK-UHFFFAOYSA-N 0 0 161.208 1.995 10 0 ADAERN CCNc1ccc(N)c(C(=O)OC)c1 41046139 167309490 /nfs/dbraw/zinc/30/94/90/167309490.db2.gz BZRZUQBPTYHMJO-UHFFFAOYSA-N 0 0 194.234 1.487 10 0 ADAERN CCNc1ccc2c(c1)NC(=O)CO2 20125601 167309531 /nfs/dbraw/zinc/30/95/31/167309531.db2.gz YOKJLYFHFBLHFQ-UHFFFAOYSA-N 0 0 192.218 1.449 10 0 ADAERN CCNc1ccc(OC)cc1N 75547424 167309591 /nfs/dbraw/zinc/30/95/91/167309591.db2.gz JSALEHIGCAVNDZ-UHFFFAOYSA-N 0 0 166.224 1.709 10 0 ADAERN CCNc1ccnc(CC)n1 50852842 167309732 /nfs/dbraw/zinc/30/97/32/167309732.db2.gz NQRNPQDEMWUSAE-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN CCNc1cccc(C=O)n1 211571519 167309768 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53750205 167313736 /nfs/dbraw/zinc/31/37/36/167313736.db2.gz JERQJWNWMDPXDQ-UHFFFAOYSA-N 0 0 169.228 1.799 10 0 ADAERN CCNc1cnn(C[C@H]2CCCO2)c1 37137822 167313829 /nfs/dbraw/zinc/31/38/29/167313829.db2.gz PGMNUAZXADUCOO-SNVBAGLBSA-N 0 0 195.266 1.494 10 0 ADAERN CCNc1nc2ccccc2c(=O)o1 27526609 167313844 /nfs/dbraw/zinc/31/38/44/167313844.db2.gz DDUMDEDCIVMDDE-UHFFFAOYSA-N 0 0 190.202 1.620 10 0 ADAERN Fc1ccc(NCc2c[nH]cn2)cn1 134538336 343944959 /nfs/dbraw/zinc/94/49/59/343944959.db2.gz XDWLNAORVHJEOC-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN CCNc1[nH+]c(C)cc(C)c1C(=O)[O-] 37978224 167313876 /nfs/dbraw/zinc/31/38/76/167313876.db2.gz RKURZFIQHUCKMF-UHFFFAOYSA-N 0 0 194.234 1.828 10 0 ADAERN CCNc1ncc2nc(N)sc2n1 104855946 167313968 /nfs/dbraw/zinc/31/39/68/167313968.db2.gz ISECEPLIZSAQRQ-UHFFFAOYSA-N 0 0 195.251 1.100 10 0 ADAERN CCNc1ccon1 62797015 167313993 /nfs/dbraw/zinc/31/39/93/167313993.db2.gz YJPOJVOMWRNRQR-UHFFFAOYSA-N 0 0 112.132 1.106 10 0 ADAERN CCNc1nccn(C(C)C)c1=O 61762033 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ADAERN CCNc1noc(C)c1C(=O)OCC 39084604 167316332 /nfs/dbraw/zinc/31/63/32/167316332.db2.gz VZKNHZUCFRFRGU-UHFFFAOYSA-N 0 0 198.222 1.592 10 0 ADAERN CCNc1nnc(CC)s1 41650896 167316395 /nfs/dbraw/zinc/31/63/95/167316395.db2.gz VCLAZPJTGZGDNY-UHFFFAOYSA-N 0 0 157.242 1.532 10 0 ADAERN CCNc1nn(C)c(=S)s1 239366866 167316420 /nfs/dbraw/zinc/31/64/20/167316420.db2.gz AGGLOZRONZDNGW-UHFFFAOYSA-N 0 0 175.282 1.643 10 0 ADAERN CCOC(=O)/C(C)=C1\CCC(=O)O1 104844777 167316566 /nfs/dbraw/zinc/31/65/66/167316566.db2.gz SWYAVRCNRKUMBB-VOTSOKGWSA-N 0 0 184.191 1.161 10 0 ADAERN CCOC(=N)c1ccccc1O 5854124 167316659 /nfs/dbraw/zinc/31/66/59/167316659.db2.gz VCGCYPPHDRMEFK-UHFFFAOYSA-N 0 0 165.192 1.754 10 0 ADAERN CCOC(=O)/C=C/Br 2380553 167316698 /nfs/dbraw/zinc/31/66/98/167316698.db2.gz UJTJVQIYRQALIK-ONEGZZNKSA-N 0 0 179.013 1.458 10 0 ADAERN CCOC(=O)/C(C)=C/Br 71606952 167316756 /nfs/dbraw/zinc/31/67/56/167316756.db2.gz NDGDRYSROJEHNM-SNAWJCMRSA-N 0 0 193.040 1.848 10 0 ADAERN CCOC(=N)C[C@H]1CCCO1 37928011 167316913 /nfs/dbraw/zinc/31/69/13/167316913.db2.gz ZBOJZUHUUFYBBA-SSDOTTSWSA-N 0 0 157.213 1.569 10 0 ADAERN CCOC(=O)C(Cl)=C(C)O 100103313 167316957 /nfs/dbraw/zinc/31/69/57/167316957.db2.gz YDWMMDXLIPZMFG-SNAWJCMRSA-N 0 0 164.588 1.578 10 0 ADAERN CCOC(=O)C(=O)Cc1ccncc1 101381756 167316979 /nfs/dbraw/zinc/31/69/79/167316979.db2.gz IYSQQLBDFAGIRL-VQHVLOKHSA-N 0 0 193.202 1.544 10 0 ADAERN CCOC(=N)c1ccco1 37928162 167316996 /nfs/dbraw/zinc/31/69/96/167316996.db2.gz QQFBNVRSHCVGFR-UHFFFAOYSA-N 0 0 139.154 1.641 10 0 ADAERN CCOC(=N)[C@@H](O)c1ccc(F)cc1 39134978 167317082 /nfs/dbraw/zinc/31/70/82/167317082.db2.gz IIIRCPOVGMWQKT-VIFPVBQESA-N 0 0 197.209 1.873 10 0 ADAERN CCOC(=N)[C@H](O)c1ccccc1F 39135027 167317092 /nfs/dbraw/zinc/31/70/92/167317092.db2.gz AVWBBFIBQXROLP-SECBINFHSA-N 0 0 197.209 1.873 10 0 ADAERN C[C@@H]1OCC[C@@H]1Nc1ncccc1F 134571970 343945841 /nfs/dbraw/zinc/94/58/41/343945841.db2.gz IWXRJHSTRCIMSH-CBAPKCEASA-N 0 0 196.225 1.810 10 0 ADAERN 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34104126 167403318 /nfs/dbraw/zinc/40/33/18/167403318.db2.gz UKIKCLGEESVZAE-LURJTMIESA-N 0 0 116.160 1.000 10 0 in-vitro ADAERN CCO[C@@H](C)[C@H](O)CC 44193182 167403363 /nfs/dbraw/zinc/40/33/63/167403363.db2.gz HOZSQNYECOPBST-NKWVEPMBSA-N 0 0 132.203 1.182 10 0 ADAERN CCO[C@@H]1C[C@H](CC)CC[C@@H]1O 44193161 167403595 /nfs/dbraw/zinc/40/35/95/167403595.db2.gz ZCCZATTUHUFKJT-KXUCPTDWSA-N 0 0 172.268 1.963 10 0 ADAERN CCO[C@H](C(C)=O)C1CC1 23813001 167403640 /nfs/dbraw/zinc/40/36/40/167403640.db2.gz HWMMZMJLEUYMAI-MRVPVSSYSA-N 0 0 142.198 1.391 10 0 ADAERN CCO[C@@H]1C[C@@H](CC)CC[C@@H]1O 44193164 167403881 /nfs/dbraw/zinc/40/38/81/167403881.db2.gz ZCCZATTUHUFKJT-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CCO[C@H](C)C(=O)N1CCCC1(C)C 334438494 167404330 /nfs/dbraw/zinc/40/43/30/167404330.db2.gz JUYJQXZTIIUUTI-SECBINFHSA-N 0 0 199.294 1.812 10 0 ADAERN CCO[C@@H]1C[C@H]1c1nc(C)no1 306469006 167404483 /nfs/dbraw/zinc/40/44/83/167404483.db2.gz NUBKNGRTZNBQBD-RNFRBKRXSA-N 0 0 168.196 1.270 10 0 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171.196 1.104 10 0 ADAERN CCO[C@H]1C=C[C@H](OCC)O1 34743984 167407367 /nfs/dbraw/zinc/40/73/67/167407367.db2.gz BUIVDANEHFRPEQ-HTQZYQBOSA-N 0 0 158.197 1.298 10 0 ADAERN CCO[C@H](C)C(C)=O 34104127 167407689 /nfs/dbraw/zinc/40/76/89/167407689.db2.gz UKIKCLGEESVZAE-ZCFIWIBFSA-N 0 0 116.160 1.000 10 0 in-vitro ADAERN CCO[C@H]1C[C@H](C)CC[C@@H]1O 44193362 167408118 /nfs/dbraw/zinc/40/81/18/167408118.db2.gz XXPBCRONGRFHOC-VGMNWLOBSA-N 0 0 158.241 1.572 10 0 ADAERN CCO[C@H]1CNc2ccc(F)cc2O1 75883362 167408222 /nfs/dbraw/zinc/40/82/22/167408222.db2.gz QYRAGOVFHUPUSI-SNVBAGLBSA-N 0 0 197.209 1.993 10 0 ADAERN CCO[P@@]1(=O)C=C[C@@](C)(O)C1 3957840 167408283 /nfs/dbraw/zinc/40/82/83/167408283.db2.gz PFTJSKADOUTMGO-HQJQHLMTSA-N 0 0 176.152 1.579 10 0 ADAERN CCc1nc2c(c(NC)n1)CSC2 134719413 343948724 /nfs/dbraw/zinc/94/87/24/343948724.db2.gz RXXVCTODOUFJEZ-UHFFFAOYSA-N 0 0 195.291 1.828 10 0 ADAERN CCO[P@]1(=O)C=C[C@H](O)[C@@H]1C 206386504 167408859 /nfs/dbraw/zinc/40/88/59/167408859.db2.gz 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/nfs/dbraw/zinc/41/00/52/167410052.db2.gz XXPBCRONGRFHOC-CIUDSAMLSA-N 0 0 158.241 1.572 10 0 ADAERN CCO[C@H]1OCCS1 5718367 167410211 /nfs/dbraw/zinc/41/02/11/167410211.db2.gz GICJVLUQVBTBHV-YFKPBYRVSA-N 0 0 134.200 1.070 10 0 ADAERN CCOc1cc(C(C)=O)cc(N)c1O 41652487 167411025 /nfs/dbraw/zinc/41/10/25/167411025.db2.gz FATYFBLUUSZKEI-UHFFFAOYSA-N 0 0 195.218 1.576 10 0 ADAERN CCOc1cc(C=O)cc(OC)c1 5651961 167411157 /nfs/dbraw/zinc/41/11/57/167411157.db2.gz ZVUXDBJOKROUNH-UHFFFAOYSA-N 0 0 180.203 1.906 10 0 ADAERN CCOc1cc(=S)[nH]c(C)n1 39121168 167411439 /nfs/dbraw/zinc/41/14/39/167411439.db2.gz AHJZOYKDHHLRNH-UHFFFAOYSA-N 0 0 170.237 1.846 10 0 ADAERN CCOc1c[nH]c2cccnc12 230524960 167411666 /nfs/dbraw/zinc/41/16/66/167411666.db2.gz KRTUHHGEVOFWFP-UHFFFAOYSA-N 0 0 162.192 1.962 10 0 ADAERN CCOc1cc(=S)[nH]cn1 39122427 167411765 /nfs/dbraw/zinc/41/17/65/167411765.db2.gz AXTONTPHJRCGAW-UHFFFAOYSA-N 0 0 156.210 1.538 10 0 ADAERN CCOc1cc(C)nc(NC)n1 58825763 167411834 /nfs/dbraw/zinc/41/18/34/167411834.db2.gz LPGUXVLFDKWGMU-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN CCOc1c(N)nc(C)nc1Cl 299890013 167411859 /nfs/dbraw/zinc/41/18/59/167411859.db2.gz SHZXKOQAXTVBCY-UHFFFAOYSA-N 0 0 187.630 1.419 10 0 ADAERN CCOc1cc(C)c(C(N)=O)c(C)c1 71456875 167411927 /nfs/dbraw/zinc/41/19/27/167411927.db2.gz DVSPGALDJWFFEL-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCOc1cc(C)nc2ccnn12 26485828 167411969 /nfs/dbraw/zinc/41/19/69/167411969.db2.gz MSHAQXCUSSLSKX-UHFFFAOYSA-N 0 0 177.207 1.436 10 0 ADAERN CCOc1cc(N)nc(C2CC2)n1 82491370 167413092 /nfs/dbraw/zinc/41/30/92/167413092.db2.gz ANCNJXYTRFZCGD-UHFFFAOYSA-N 0 0 179.223 1.335 10 0 ADAERN CCOc1cc(N)c(N)cc1OCC 22056665 167413528 /nfs/dbraw/zinc/41/35/28/167413528.db2.gz FVJNCXSTCLUVKP-UHFFFAOYSA-N 0 0 196.250 1.648 10 0 in-vitro ADAERN CCOc1cc2c[nH]nc2cc1C=O 89197108 167413952 /nfs/dbraw/zinc/41/39/52/167413952.db2.gz GHSLEBCLIIXPBV-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CCOc1cc2c(cc1N)CC(=O)N2 35345599 167414193 /nfs/dbraw/zinc/41/41/93/167414193.db2.gz AOOVTFCUWIFAOI-UHFFFAOYSA-N 0 0 192.218 1.162 10 0 ADAERN CCOc1cc(N)nc(C(C)C)n1 82482878 167414232 /nfs/dbraw/zinc/41/42/32/167414232.db2.gz MPJHIVWUZJSKDP-UHFFFAOYSA-N 0 0 181.239 1.581 10 0 ADAERN CCOc1cc(N)nc(C(C)(C)C)n1 82492508 167414297 /nfs/dbraw/zinc/41/42/97/167414297.db2.gz UMKPHUHCUNYKCT-UHFFFAOYSA-N 0 0 195.266 1.755 10 0 ADAERN CCOc1cc(NC)nc(C2CC2)n1 82491254 167414356 /nfs/dbraw/zinc/41/43/56/167414356.db2.gz YCOGTHNZHYTOOF-UHFFFAOYSA-N 0 0 193.250 1.794 10 0 ADAERN CCOc1cc(N)cnc1NC1CC1 76982956 167414880 /nfs/dbraw/zinc/41/48/80/167414880.db2.gz BKCOAEIWAXDXFE-UHFFFAOYSA-N 0 0 193.250 1.637 10 0 ADAERN CCOc1cc(O)ccc1O 39250973 167415040 /nfs/dbraw/zinc/41/50/40/167415040.db2.gz PHNGKIFUTBFGAG-UHFFFAOYSA-N 0 0 154.165 1.497 10 0 ADAERN CCOc1cc(COCOC)ccn1 39090593 167415275 /nfs/dbraw/zinc/41/52/75/167415275.db2.gz IYCGJOUFIKKTLS-UHFFFAOYSA-N 0 0 197.234 1.601 10 0 ADAERN CCOc1ccc(C(N)=O)cc1F 82588050 167416269 /nfs/dbraw/zinc/41/62/69/167416269.db2.gz JZYCWWJXABHUAL-UHFFFAOYSA-N 0 0 183.182 1.323 10 0 ADAERN CCOc1ccc(Cl)c(CO)n1 40882804 167416961 /nfs/dbraw/zinc/41/69/61/167416961.db2.gz ANHNZFYRCSIGLK-UHFFFAOYSA-N 0 0 187.626 1.626 10 0 ADAERN CCOc1ccc(C(CO)CO)cc1 44198923 167417404 /nfs/dbraw/zinc/41/74/04/167417404.db2.gz TZTKJISYBUPWIM-UHFFFAOYSA-N 0 0 196.246 1.154 10 0 ADAERN CCOc1ccc(O)c(N)c1 71455089 167418413 /nfs/dbraw/zinc/41/84/13/167418413.db2.gz JYQPIZUBNCCGFV-UHFFFAOYSA-N 0 0 153.181 1.373 10 0 ADAERN CCOc1ccc(N)c2c1cnn2C 89200548 167419103 /nfs/dbraw/zinc/41/91/03/167419103.db2.gz LZFOSXJYTIBJJO-UHFFFAOYSA-N 0 0 191.234 1.554 10 0 ADAERN CCOc1ccc(NC(N)=O)c(C)c1 334375620 167420254 /nfs/dbraw/zinc/42/02/54/167420254.db2.gz DPBFKAHHIPPUCM-UHFFFAOYSA-N 0 0 194.234 1.884 10 0 ADAERN CCOc1ccc(OC)c(N)c1 71455365 167420359 /nfs/dbraw/zinc/42/03/59/167420359.db2.gz GDAIYFAMMVNXNI-UHFFFAOYSA-N 0 0 167.208 1.676 10 0 ADAERN CCOc1ccc(NC(N)=S)cn1 39377618 167420610 /nfs/dbraw/zinc/42/06/10/167420610.db2.gz MXYSEPHKUAJGFB-UHFFFAOYSA-N 0 0 197.263 1.136 10 0 ADAERN CCOc1ccc2c(=O)[nH]ccc2c1 36244077 167421694 /nfs/dbraw/zinc/42/16/94/167421694.db2.gz GPNACORCIVCSBD-UHFFFAOYSA-N 0 0 189.214 1.927 10 0 ADAERN CCOc1ccc2nc(N)sc2n1 45814872 167421846 /nfs/dbraw/zinc/42/18/46/167421846.db2.gz FLLGXKNRPUJXTE-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN CCOc1ccc[n+]([O-])c1Cl 77254402 167423265 /nfs/dbraw/zinc/42/32/65/167423265.db2.gz UUZMVQLHWHHTDN-UHFFFAOYSA-N 0 0 173.599 1.372 10 0 ADAERN CCOc1ccc2c(c1)[C@H](CO)CN2 71486760 167423306 /nfs/dbraw/zinc/42/33/06/167423306.db2.gz YLLPVAPUAUYVMU-QMMMGPOBSA-N 0 0 193.246 1.587 10 0 ADAERN CCOc1cccc(C(N)=S)c1O 83342766 167423310 /nfs/dbraw/zinc/42/33/10/167423310.db2.gz DPXHGUNYZNEDSX-UHFFFAOYSA-N 0 0 197.259 1.425 10 0 ADAERN CCOc1ccc2[nH]ccnc-2c1=O 39090384 167423392 /nfs/dbraw/zinc/42/33/92/167423392.db2.gz XZNJVGFNZGSARX-UHFFFAOYSA-N 0 0 190.202 1.734 10 0 ADAERN CCOc1ccc2c(c1)[C@H](O)CCO2 40542999 167423443 /nfs/dbraw/zinc/42/34/43/167423443.db2.gz FKLLJHBOKIQTGK-SNVBAGLBSA-N 0 0 194.230 1.901 10 0 ADAERN CCOc1cccc(C(C)=O)c1N 40441626 167423710 /nfs/dbraw/zinc/42/37/10/167423710.db2.gz VUAVPHBUAQDRRE-UHFFFAOYSA-N 0 0 179.219 1.870 10 0 ADAERN CCOc1cccc(Cl)c1C(N)=O 253564308 167423953 /nfs/dbraw/zinc/42/39/53/167423953.db2.gz GJEWLZXYBKJJEM-UHFFFAOYSA-N 0 0 199.637 1.838 10 0 ADAERN CCOc1ccccc1/C=C/C(N)=O 37387398 167424198 /nfs/dbraw/zinc/42/41/98/167424198.db2.gz XUUMRCQZDMKVFW-BQYQJAHWSA-N 0 0 191.230 1.584 10 0 ADAERN CCOc1cccc2[nH]c(=O)[nH]c12 39953764 167424363 /nfs/dbraw/zinc/42/43/63/167424363.db2.gz JCEKIRDUWNHPFH-UHFFFAOYSA-N 0 0 178.191 1.255 10 0 ADAERN CCOc1ccccc1CCCON 19729394 167424664 /nfs/dbraw/zinc/42/46/64/167424664.db2.gz QTWXQDXAEACGAZ-UHFFFAOYSA-N 0 0 195.262 1.908 10 0 ADAERN CCOc1cccc(N)c1C 34139909 167425642 /nfs/dbraw/zinc/42/56/42/167425642.db2.gz YWTKEOVIVQLVKV-UHFFFAOYSA-N 0 0 151.209 1.976 10 0 ADAERN CCOc1cccc(F)c1C(N)=S 36307882 167426082 /nfs/dbraw/zinc/42/60/82/167426082.db2.gz RVPLPCURENLRFK-UHFFFAOYSA-N 0 0 199.250 1.859 10 0 ADAERN CCOc1ccnc(F)c1N 39088700 167426303 /nfs/dbraw/zinc/42/63/03/167426303.db2.gz OVSYGTRDQQVORA-UHFFFAOYSA-N 0 0 156.160 1.202 10 0 ADAERN CCOc1ccnc(SCC)n1 196361539 167426735 /nfs/dbraw/zinc/42/67/35/167426735.db2.gz JSDVZKXHFAPUGS-UHFFFAOYSA-N 0 0 184.264 1.987 10 0 ADAERN CCOc1cnc(C)s1 34539612 167426773 /nfs/dbraw/zinc/42/67/73/167426773.db2.gz BHAHRAUNIDYZBX-UHFFFAOYSA-N 0 0 143.211 1.850 10 0 ADAERN CCOc1ccccc1[C@@H](O)COC 44192795 167426813 /nfs/dbraw/zinc/42/68/13/167426813.db2.gz NRTAMFWFVAZUAA-JTQLQIEISA-N 0 0 196.246 1.765 10 0 ADAERN CCOc1cscc1C=O 39350285 167427142 /nfs/dbraw/zinc/42/71/42/167427142.db2.gz CQFRDIUTZQMTAM-UHFFFAOYSA-N 0 0 156.206 1.959 10 0 ADAERN CCOc1ccn(-c2ccccn2)n1 137052598 167427809 /nfs/dbraw/zinc/42/78/09/167427809.db2.gz LOZKVLABHNEFBN-UHFFFAOYSA-N 0 0 189.218 1.666 10 0 ADAERN CCOc1cnc(C)o1 5336805 167427883 /nfs/dbraw/zinc/42/78/83/167427883.db2.gz XIUYTOWSBLPGDK-UHFFFAOYSA-N 0 0 127.143 1.382 10 0 ADAERN CCOc1n[nH]c(C)c1CC 39133842 167428098 /nfs/dbraw/zinc/42/80/98/167428098.db2.gz TUACZDSKQZLGSU-UHFFFAOYSA-N 0 0 154.213 1.679 10 0 ADAERN CCOc1noc(C)c1C 34304744 167428599 /nfs/dbraw/zinc/42/85/99/167428599.db2.gz XVEJAONDLBAHCK-UHFFFAOYSA-N 0 0 141.170 1.690 10 0 ADAERN CCOc1nc(OC(C)C)ccc1N 37069202 167428786 /nfs/dbraw/zinc/42/87/86/167428786.db2.gz FQQJSGZKFVTRPQ-UHFFFAOYSA-N 0 0 196.250 1.850 10 0 ADAERN CCOc1nsnc1Cl 37371795 167429207 /nfs/dbraw/zinc/42/92/07/167429207.db2.gz QLHSAELBBONESC-UHFFFAOYSA-N 0 0 164.617 1.590 10 0 ADAERN CCOc1nc(N(C)CC)ccc1N 37078311 167429275 /nfs/dbraw/zinc/42/92/75/167429275.db2.gz BDBAJYPXDCACIZ-UHFFFAOYSA-N 0 0 195.266 1.519 10 0 ADAERN CCOc1ncc(C)cn1 39053556 167429380 /nfs/dbraw/zinc/42/93/80/167429380.db2.gz BYEAUJZCIJMCTA-UHFFFAOYSA-N 0 0 138.170 1.184 10 0 ADAERN CCOc1ncccc1C(N)=S 19430608 167429466 /nfs/dbraw/zinc/42/94/66/167429466.db2.gz RMBBDYBDOKDDMX-UHFFFAOYSA-N 0 0 182.248 1.115 10 0 ADAERN CCOc1nc(N(C)OC)ccc1N 36825554 167429696 /nfs/dbraw/zinc/42/96/96/167429696.db2.gz OQJHOGIMDKFWJF-UHFFFAOYSA-N 0 0 197.238 1.060 10 0 ADAERN CCOc1sc(=O)[nH]c1C 39134828 167429935 /nfs/dbraw/zinc/42/99/35/167429935.db2.gz AVRHCRMEGCGQAD-UHFFFAOYSA-N 0 0 159.210 1.144 10 0 ADAERN CCOc1nc(N(C)C)ccc1N 37066523 167429960 /nfs/dbraw/zinc/42/99/60/167429960.db2.gz OISFHWOMGXSQCS-UHFFFAOYSA-N 0 0 181.239 1.129 10 0 ADAERN CCOc1nc(NC(C)C)ccc1N 37066674 167430177 /nfs/dbraw/zinc/43/01/77/167430177.db2.gz HODDDJNIOHRCRE-UHFFFAOYSA-N 0 0 195.266 1.883 10 0 ADAERN CCOc1ncc(CO)cc1Cl 40882815 167430321 /nfs/dbraw/zinc/43/03/21/167430321.db2.gz JUJVOSDJOFKODZ-UHFFFAOYSA-N 0 0 187.626 1.626 10 0 ADAERN CCOc1ncc(C)c(OCC)n1 2575247 167430330 /nfs/dbraw/zinc/43/03/30/167430330.db2.gz WXALIABDZXPJLE-UHFFFAOYSA-N 0 0 182.223 1.582 10 0 ADAERN CCOc1nc(N)nc2c1CCCC2 75581346 167430379 /nfs/dbraw/zinc/43/03/79/167430379.db2.gz AWUIBKZCQVEGID-UHFFFAOYSA-N 0 0 193.250 1.336 10 0 ADAERN CCOn1cnc2ccccc21 39236618 167430449 /nfs/dbraw/zinc/43/04/49/167430449.db2.gz ZRSMXVAKEJGTDW-UHFFFAOYSA-N 0 0 162.192 1.485 10 0 ADAERN CCOc1nc2sccn2c1CO 22160256 167430637 /nfs/dbraw/zinc/43/06/37/167430637.db2.gz XHCZNZVGDVVUQZ-UHFFFAOYSA-N 0 0 198.247 1.287 10 0 ADAERN CCOc1nc2cccnc2cc1N 75579132 167430855 /nfs/dbraw/zinc/43/08/55/167430855.db2.gz VONKOQIMIOYBFL-UHFFFAOYSA-N 0 0 189.218 1.611 10 0 ADAERN CCS(=O)(=O)NCC1(C)CCC1 226825132 167431056 /nfs/dbraw/zinc/43/10/56/167431056.db2.gz LHESLZMKQDFFHX-UHFFFAOYSA-N 0 0 191.296 1.116 10 0 ADAERN CCS(=O)(=O)N[C@@H](C)C(C)(C)C 14221658 167431897 /nfs/dbraw/zinc/43/18/97/167431897.db2.gz CLDKRSQMLOPQKF-ZETCQYMHSA-N 0 0 193.312 1.360 10 0 ADAERN CCP1(=O)CCC(=O)CC1 48523760 167432228 /nfs/dbraw/zinc/43/22/28/167432228.db2.gz CJAIWFRTLGRQDO-UHFFFAOYSA-N 0 0 160.153 1.732 10 0 ADAERN CCS(=O)(=O)N[C@H](C)C(C)(C)C 14221660 167432320 /nfs/dbraw/zinc/43/23/20/167432320.db2.gz CLDKRSQMLOPQKF-SSDOTTSWSA-N 0 0 193.312 1.360 10 0 ADAERN CCS(=O)(=O)c1ccc(C)c(N)c1 19789010 167434334 /nfs/dbraw/zinc/43/43/34/167434334.db2.gz MVJJPLXIXJPRHY-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN CCSCc1csc(N)n1 36732441 167435853 /nfs/dbraw/zinc/43/58/53/167435853.db2.gz WNACHXJMFBBVPD-UHFFFAOYSA-N 0 0 174.294 1.978 10 0 ADAERN CCSCC[C@H](C)O 38843648 167435881 /nfs/dbraw/zinc/43/58/81/167435881.db2.gz RTOCBXURMYEHIZ-LURJTMIESA-N 0 0 134.244 1.510 10 0 ADAERN CCSCn1cnc(C)c(C)c1=O 306467995 167435921 /nfs/dbraw/zinc/43/59/21/167435921.db2.gz MXBMWWKBXQBCIK-UHFFFAOYSA-N 0 0 198.291 1.571 10 0 ADAERN CCSCn1ccsc1=O 306466012 167436072 /nfs/dbraw/zinc/43/60/72/167436072.db2.gz KDZXZYPUMGUNND-UHFFFAOYSA-N 0 0 175.278 1.620 10 0 ADAERN CCSCc1cnc(N)nc1 45817375 167436209 /nfs/dbraw/zinc/43/62/09/167436209.db2.gz ODZIQSBSLKNJPV-UHFFFAOYSA-N 0 0 169.253 1.312 10 0 ADAERN CCSC[C@H](O)CC 37697114 167436353 /nfs/dbraw/zinc/43/63/53/167436353.db2.gz VYZVRWXBENJFBH-ZCFIWIBFSA-N 0 0 134.244 1.510 10 0 ADAERN CCSCn1ncsc1=O 307712958 167436941 /nfs/dbraw/zinc/43/69/41/167436941.db2.gz YZVRCGVXZMTRSL-UHFFFAOYSA-N 0 0 176.266 1.015 10 0 ADAERN CCSCn1c(C)csc1=O 307005728 167437000 /nfs/dbraw/zinc/43/70/00/167437000.db2.gz FCSHUGIYHLVCEC-UHFFFAOYSA-N 0 0 189.305 1.929 10 0 ADAERN CCSc1ccc(C(N)=O)cc1N 35332211 167437510 /nfs/dbraw/zinc/43/75/10/167437510.db2.gz YBLHTXHJDHXIDG-UHFFFAOYSA-N 0 0 196.275 1.480 10 0 ADAERN CCSc1c(N)n[nH]c1C 39134015 167438486 /nfs/dbraw/zinc/43/84/86/167438486.db2.gz QYPRAMAHBZIJSP-UHFFFAOYSA-N 0 0 157.242 1.412 10 0 ADAERN CCS[C@@H]1CCCNC1=O 306345981 167438653 /nfs/dbraw/zinc/43/86/53/167438653.db2.gz FJIOIKKHIBODTF-ZCFIWIBFSA-N 0 0 159.254 1.018 10 0 ADAERN CCS[C@@H]1CCC[C@H]1O 1768916 167438811 /nfs/dbraw/zinc/43/88/11/167438811.db2.gz MCVRYKRBWROZDT-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN CCSc1c(C)noc1N 39113025 167438966 /nfs/dbraw/zinc/43/89/66/167438966.db2.gz BMXKZSQUQDGPSL-UHFFFAOYSA-N 0 0 158.226 1.677 10 0 ADAERN CCS[C@H]1CCCC1=O 37353261 167439012 /nfs/dbraw/zinc/43/90/12/167439012.db2.gz BCEGJAHJUNRERY-ZETCQYMHSA-N 0 0 144.239 1.861 10 0 ADAERN CCSc1cccc[n+]1[O-] 34595139 167439560 /nfs/dbraw/zinc/43/95/60/167439560.db2.gz FKZXCHHCTXPTAY-UHFFFAOYSA-N 0 0 155.222 1.432 10 0 ADAERN CCSc1csc(N)n1 39134536 167439975 /nfs/dbraw/zinc/43/99/75/167439975.db2.gz NFHFQCIUQFIUPA-UHFFFAOYSA-N 0 0 160.267 1.837 10 0 ADAERN CCSc1ncccc1N 19869638 167440579 /nfs/dbraw/zinc/44/05/79/167440579.db2.gz BLOMAHNKUOWDPU-UHFFFAOYSA-N 0 0 154.238 1.776 10 0 ADAERN CCSc1nnc2ccc(N)cn12 19733765 167441101 /nfs/dbraw/zinc/44/11/01/167441101.db2.gz LEOOSIZSBIDVIZ-UHFFFAOYSA-N 0 0 194.263 1.424 10 0 ADAERN CCSc1nsc(NC)n1 75825429 167441220 /nfs/dbraw/zinc/44/12/20/167441220.db2.gz CFBZWFWSDVVGRX-UHFFFAOYSA-N 0 0 175.282 1.692 10 0 ADAERN CC[C@@H](C(=O)NC(N)=O)C1CCCC1 201212052 167446299 /nfs/dbraw/zinc/44/62/99/167446299.db2.gz YTHGOAUHHALLJY-MRVPVSSYSA-N 0 0 198.266 1.398 10 0 ADAERN CC[C@@H](C(C)C)N1C(=O)C=CC1=O 42590409 167446846 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ADAERN CC[C@](C)(N=O)C(C)=O 39068403 167705227 /nfs/dbraw/zinc/70/52/27/167705227.db2.gz BIRWZRSLQLTNTR-LURJTMIESA-N 0 0 129.159 1.511 10 0 ADAERN CC[C@](C)(O)Cc1cnn(C)c1 50541484 167705307 /nfs/dbraw/zinc/70/53/07/167705307.db2.gz FWOBZPKERISDPE-VIFPVBQESA-N 0 0 168.240 1.124 10 0 ADAERN CC[C@](C)(O)Cc1cccnc1 13209126 167705684 /nfs/dbraw/zinc/70/56/84/167705684.db2.gz XXGMUXMTGVQHBG-JTQLQIEISA-N 0 0 165.236 1.785 10 0 ADAERN CC[C@](C)(Nc1ccccc1)C(N)=O 37941958 167705968 /nfs/dbraw/zinc/70/59/68/167705968.db2.gz GJAFBMBQUUBYKO-NSHDSACASA-N 0 0 192.262 1.753 10 0 ADAERN CC[C@]1(C)CCN(C(=O)NC)C1 306517452 167707023 /nfs/dbraw/zinc/70/70/23/167707023.db2.gz AJGQYEBMECSYEW-SECBINFHSA-N 0 0 170.256 1.448 10 0 ADAERN CC[C@](C[NH3+])(CC(=O)[O-])CC(C)C 13641442 167707247 /nfs/dbraw/zinc/70/72/47/167707247.db2.gz QQJBXJITVVXFJG-SNVBAGLBSA-N 0 0 187.283 1.862 10 0 ADAERN CC[C@]1(C)CCN(C(=O)CC(N)=O)C1 334555277 167708008 /nfs/dbraw/zinc/70/80/08/167708008.db2.gz BYRHWFGNDIQKFU-SNVBAGLBSA-N 0 0 198.266 1.560 10 0 ADAERN CC[C@](O)(Cc1cnn(C)c1)C(C)C 50541531 167708341 /nfs/dbraw/zinc/70/83/41/167708341.db2.gz ZOFGUSBMYKVZES-NSHDSACASA-N 0 0 196.294 1.760 10 0 ADAERN CC[C@](O)(C(=O)NC)c1ccccc1 26173173 167708632 /nfs/dbraw/zinc/70/86/32/167708632.db2.gz DUGQFTUWFOVUPM-LLVKDONJSA-N 0 0 193.246 1.030 10 0 ADAERN CC[C@]([NH3+])(C(=O)[O-])c1ccc(O)cc1 19476737 167708847 /nfs/dbraw/zinc/70/88/47/167708847.db2.gz HTMXINXCPNIGJG-SNVBAGLBSA-N 0 0 195.218 1.041 10 0 ADAERN CC[C@]1(C)NC(C)(C)COC1=O 58425252 167709810 /nfs/dbraw/zinc/70/98/10/167709810.db2.gz KGKBDJTUKBJFEU-VIFPVBQESA-N 0 0 171.240 1.080 10 0 ADAERN CC[C@]1(C)COC(=O)C1 4654897 167710127 /nfs/dbraw/zinc/71/01/27/167710127.db2.gz CHDAMWZEYINXCG-ZETCQYMHSA-N 0 0 128.171 1.350 10 0 in-vitro ADAERN CC[C@]1(C)N[C@@H](CC(C)C)C(=O)N1C 69951124 167710204 /nfs/dbraw/zinc/71/02/04/167710204.db2.gz VLNJIRWKGUBRGL-GXSJLCMTSA-N 0 0 198.310 1.589 10 0 ADAERN CC[C@]1(c2ccccc2)CNC1=O 2035720 167712028 /nfs/dbraw/zinc/71/20/28/167712028.db2.gz QKXTXXKOSUMTNX-LLVKDONJSA-N 0 0 175.231 1.464 10 0 ADAERN CC[C@]1(O)CC[C@@H](F)C(=O)C1 39125494 167713559 /nfs/dbraw/zinc/71/35/59/167713559.db2.gz MSCRDHASALYJLE-SVRRBLITSA-N 0 0 160.188 1.219 10 0 ADAERN CCc1c(N)c(N)nn1C(C)C 39104294 167720200 /nfs/dbraw/zinc/72/02/00/167720200.db2.gz WEZJJLRDMAPCTG-UHFFFAOYSA-N 0 0 168.244 1.191 10 0 ADAERN CCc1c(CC2CC2)noc1N 49731266 167720229 /nfs/dbraw/zinc/72/02/29/167720229.db2.gz WIIROTBNAZKGNY-UHFFFAOYSA-N 0 0 166.224 1.772 10 0 ADAERN CCc1c(C)nn(CC(N)=S)c1C 40732637 167720268 /nfs/dbraw/zinc/72/02/68/167720268.db2.gz NPYKTLLYBGTBOD-UHFFFAOYSA-N 0 0 197.307 1.348 10 0 ADAERN CCc1c(C)sc2ncc(CO)n12 36255087 167720293 /nfs/dbraw/zinc/72/02/93/167720293.db2.gz XKJNTLNQAPGZDN-UHFFFAOYSA-N 0 0 196.275 1.759 10 0 ADAERN CCc1c(N)c(=O)n([C@@H](C)CC)n1C 40931441 167720400 /nfs/dbraw/zinc/72/04/00/167720400.db2.gz HSKWUCBEOSSHPD-ZETCQYMHSA-N 0 0 197.282 1.302 10 0 ADAERN CCc1c(C=O)nnn1C(C)C 62296273 167721121 /nfs/dbraw/zinc/72/11/21/167721121.db2.gz AAJGYBCHVDFFMS-UHFFFAOYSA-N 0 0 167.212 1.234 10 0 ADAERN CCc1c(O)cccc1OC 95711049 167721186 /nfs/dbraw/zinc/72/11/86/167721186.db2.gz IAMDIMNHBORLHR-UHFFFAOYSA-N 0 0 152.193 1.963 10 0 ADAERN CCc1cc(=O)[nH]c(N(CC)CC)n1 40887706 167721912 /nfs/dbraw/zinc/72/19/12/167721912.db2.gz DXBZWACFKIMAMU-UHFFFAOYSA-N 0 0 195.266 1.179 10 0 ADAERN CCc1cc(C(=O)N[C@@H]2C[C@H]2C)[nH]n1 334171955 167723236 /nfs/dbraw/zinc/72/32/36/167723236.db2.gz BKQZCMOFQMJVNC-HTRCEHHLSA-N 0 0 193.250 1.110 10 0 ADAERN CCc1c([C@H]2C[C@@H]2C)noc1N 36916524 167723241 /nfs/dbraw/zinc/72/32/41/167723241.db2.gz XPLCTIADVRYSPK-FSPLSTOPSA-N 0 0 166.224 1.943 10 0 ADAERN CCc1cc(=O)cc(C)o1 32176833 167723499 /nfs/dbraw/zinc/72/34/99/167723499.db2.gz NMRHPBSBNRARIR-UHFFFAOYSA-N 0 0 138.166 1.511 10 0 ADAERN CCc1c([C@@H]2C[C@@H]2C)noc1N 36916523 167723768 /nfs/dbraw/zinc/72/37/68/167723768.db2.gz XPLCTIADVRYSPK-CAHLUQPWSA-N 0 0 166.224 1.943 10 0 ADAERN CCc1cc(C(C)(C)O)on1 38312217 167724210 /nfs/dbraw/zinc/72/42/10/167724210.db2.gz SQQYJKBDIOOXNM-UHFFFAOYSA-N 0 0 155.197 1.464 10 0 ADAERN CCc1cc(CN(C)C)no1 39112938 167724668 /nfs/dbraw/zinc/72/46/68/167724668.db2.gz MZCCKIGUDLNITA-UHFFFAOYSA-N 0 0 154.213 1.299 10 0 ADAERN CCc1cc(C(N)=O)ccc1OC 82587927 167724851 /nfs/dbraw/zinc/72/48/51/167724851.db2.gz YXEMAZBUWMXBOM-UHFFFAOYSA-N 0 0 179.219 1.357 10 0 ADAERN CCc1cc(C)c(O)c(N)c1 204642196 167724937 /nfs/dbraw/zinc/72/49/37/167724937.db2.gz SLFYUCCJDIOIFA-UHFFFAOYSA-N 0 0 151.209 1.845 10 0 ADAERN CCc1cc(C)nn2cc(C)nc12 95627718 167724973 /nfs/dbraw/zinc/72/49/73/167724973.db2.gz HTYDULMENFDQSF-UHFFFAOYSA-N 0 0 175.235 1.909 10 0 ADAERN CCc1cc(C=O)c2c(c1)CCO2 168397613 167725018 /nfs/dbraw/zinc/72/50/18/167725018.db2.gz UONFFWIHKRHQFG-UHFFFAOYSA-N 0 0 176.215 1.996 10 0 ADAERN CCc1cc(C=O)c[nH]1 82321946 167725182 /nfs/dbraw/zinc/72/51/82/167725182.db2.gz WFORGMLGBPUZFG-UHFFFAOYSA-N 0 0 123.155 1.390 10 0 ADAERN CCc1cc(C(C)=O)nn1CC 39072050 167725300 /nfs/dbraw/zinc/72/53/00/167725300.db2.gz CVSVOYOSJSDAGG-UHFFFAOYSA-N 0 0 166.224 1.668 10 0 ADAERN CCc1cc(C=O)c(OC2CC2)cn1 95725091 167725588 /nfs/dbraw/zinc/72/55/88/167725588.db2.gz WNMCKFKLPAIAFS-UHFFFAOYSA-N 0 0 191.230 1.998 10 0 ADAERN CCc1cc(CO)cs1 19754888 167725714 /nfs/dbraw/zinc/72/57/14/167725714.db2.gz RZMNWYRAASUWAY-UHFFFAOYSA-N 0 0 142.223 1.803 10 0 ADAERN CCc1cc(Cl)nc(COC)n1 49672157 167725783 /nfs/dbraw/zinc/72/57/83/167725783.db2.gz QGKGAGFCUODAAC-UHFFFAOYSA-N 0 0 186.642 1.839 10 0 ADAERN CCc1cc(C(C)=O)ccn1 39069637 167725817 /nfs/dbraw/zinc/72/58/17/167725817.db2.gz ZKRIXIFLLDEIBH-UHFFFAOYSA-N 0 0 149.193 1.847 10 0 ADAERN CCc1cc(C=O)ncc1OC1CC1 95724724 167725847 /nfs/dbraw/zinc/72/58/47/167725847.db2.gz DJVXTEMENVUUDK-UHFFFAOYSA-N 0 0 191.230 1.998 10 0 ADAERN CCc1cc(C)nc(CC)n1 39052954 167725852 /nfs/dbraw/zinc/72/58/52/167725852.db2.gz OOWQHHAQKGGIKB-UHFFFAOYSA-N 0 0 150.225 1.910 10 0 ADAERN CCc1cc(Cl)n2nccc2n1 38996153 167726154 /nfs/dbraw/zinc/72/61/54/167726154.db2.gz PLGYGLIUGLBMJP-UHFFFAOYSA-N 0 0 181.626 1.945 10 0 ADAERN CCc1cc2n(n1)CCCC2 39133806 167730037 /nfs/dbraw/zinc/73/00/37/167730037.db2.gz UEZHTDBZSWZKEB-UHFFFAOYSA-N 0 0 150.225 1.782 10 0 ADAERN CCc1cc2c(N)cccc2c(=O)[nH]1 96282479 167730328 /nfs/dbraw/zinc/73/03/28/167730328.db2.gz RCAAJXYONDUGJS-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 in-vitro ADAERN CCc1ccnc(=S)[nH]1 39053325 167730713 /nfs/dbraw/zinc/73/07/13/167730713.db2.gz CITFETCXGZIXCA-UHFFFAOYSA-N 0 0 140.211 1.702 10 0 ADAERN CCc1cc2c([nH]c1=O)CCCC2 49805406 167731022 /nfs/dbraw/zinc/73/10/22/167731022.db2.gz LJERIMDUTHPXSX-UHFFFAOYSA-N 0 0 177.247 1.816 10 0 ADAERN CCc1ccc(C(N)=O)s1 36962834 167732335 /nfs/dbraw/zinc/73/23/35/167732335.db2.gz CSPWODHKMMNLLI-UHFFFAOYSA-N 0 0 155.222 1.409 10 0 ADAERN CCc1ccc([C@@H]([NH3+])CC(=O)[O-])s1 44196002 167740215 /nfs/dbraw/zinc/74/02/15/167740215.db2.gz CGNIKGBLPPVEMH-ZETCQYMHSA-N 0 0 199.275 1.785 10 0 ADAERN CCc1ccc(OC2CC2)c(C=O)n1 95727798 167740448 /nfs/dbraw/zinc/74/04/48/167740448.db2.gz KOJVLABQPIAGMP-UHFFFAOYSA-N 0 0 191.230 1.998 10 0 ADAERN CCc1ccc(OCC(N)=S)cc1 5592658 167740616 /nfs/dbraw/zinc/74/06/16/167740616.db2.gz VMSXELICCPSHBW-UHFFFAOYSA-N 0 0 195.287 1.914 10 0 ADAERN CCc1ccc([C@@H](C)NC(N)=O)cc1 242583443 167740817 /nfs/dbraw/zinc/74/08/17/167740817.db2.gz CHZIMKYBRWDWHX-MRVPVSSYSA-N 0 0 192.262 1.978 10 0 ADAERN CCc1ccc([C@H](N)CC(=O)OC)o1 51721986 167741230 /nfs/dbraw/zinc/74/12/30/167741230.db2.gz ZLEVAPSZCKRZOO-MRVPVSSYSA-N 0 0 197.234 1.405 10 0 ADAERN CCc1ccc([C@H](C[NH3+])CC(=O)[O-])o1 83281801 167742253 /nfs/dbraw/zinc/74/22/53/167742253.db2.gz NKGVOYUDZHKUMF-ZETCQYMHSA-N 0 0 197.234 1.359 10 0 ADAERN CCc1ccc([C@@H]2CCNC2=O)cc1 58520954 167742323 /nfs/dbraw/zinc/74/23/23/167742323.db2.gz IAXWOHAVTADCRH-NSHDSACASA-N 0 0 189.258 1.853 10 0 ADAERN CCc1ccc([C@H](C)NN)s1 41062429 167742349 /nfs/dbraw/zinc/74/23/49/167742349.db2.gz CMTVRBVJICTXTA-LURJTMIESA-N 0 0 170.281 1.835 10 0 ADAERN CCc1ccc2c(c1)C(=O)NC2 89211276 167743985 /nfs/dbraw/zinc/74/39/85/167743985.db2.gz RHFKLOVIZOMOHE-UHFFFAOYSA-N 0 0 161.204 1.492 10 0 ADAERN CCc1ccc([C@](C)(O)CO)cc1 38434294 167744027 /nfs/dbraw/zinc/74/40/27/167744027.db2.gz QDLJELMDDUCNMR-LLVKDONJSA-N 0 0 180.247 1.449 10 0 ADAERN CCc1ccc2[nH]c(=O)oc2c1 95832498 167744146 /nfs/dbraw/zinc/74/41/46/167744146.db2.gz BQIHAYHNMVVRAN-UHFFFAOYSA-N 0 0 163.176 1.684 10 0 ADAERN CCc1ccc2c(c1)C(=O)NC2=O 39111424 167744777 /nfs/dbraw/zinc/74/47/77/167744777.db2.gz LJYSAYYNGPZUES-UHFFFAOYSA-N 0 0 175.187 1.133 10 0 ADAERN CCc1ccc2c(CCO)noc2c1 31887481 167745015 /nfs/dbraw/zinc/74/50/15/167745015.db2.gz VRSPVSZYDZMQOZ-UHFFFAOYSA-N 0 0 191.230 1.925 10 0 ADAERN CCc1ccc([C@H]2CNC(=O)C2)cc1 58520908 167745424 /nfs/dbraw/zinc/74/54/24/167745424.db2.gz ZQMLMBXGRKPPBJ-LLVKDONJSA-N 0 0 189.258 1.853 10 0 ADAERN CCc1ccc([C@H]2CC(=O)N2)o1 44256696 167745561 /nfs/dbraw/zinc/74/55/61/167745561.db2.gz NMPMREPPPJUBHR-SSDOTTSWSA-N 0 0 165.192 1.403 10 0 ADAERN CCc1ccc2nc(C=O)cn2n1 82399182 167746593 /nfs/dbraw/zinc/74/65/93/167746593.db2.gz GBYFAFGWWQIIKW-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CCc1ccc2oc(=O)oc2c1 90415622 167747269 /nfs/dbraw/zinc/74/72/69/167747269.db2.gz CIXXDTLJDWSUCI-UHFFFAOYSA-N 0 0 164.160 1.948 10 0 ADAERN CCc1ccc2ncnc(N)c2c1 32543909 167747794 /nfs/dbraw/zinc/74/77/94/167747794.db2.gz QBDCYNJJYRYBHE-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN CCc1cccc(C[S@](C)=O)c1N 75600097 167748891 /nfs/dbraw/zinc/74/88/91/167748891.db2.gz CUXMSTDVCDSYOV-CYBMUJFWSA-N 0 0 197.303 1.710 10 0 ADAERN CCc1cccc(O[C@H](C)C(N)=O)c1 33432851 167749577 /nfs/dbraw/zinc/74/95/77/167749577.db2.gz AYHNSDTXPPJBSU-MRVPVSSYSA-N 0 0 193.246 1.502 10 0 ADAERN CCc1cccc(OCC(=O)OC)c1 20297743 167749708 /nfs/dbraw/zinc/74/97/08/167749708.db2.gz MGHXZPPROKDMBH-UHFFFAOYSA-N 0 0 194.230 1.801 10 0 ADAERN CCc1cccc(OCCCON)c1 19727841 167749805 /nfs/dbraw/zinc/74/98/05/167749805.db2.gz OWDTUQCTRPRPRU-UHFFFAOYSA-N 0 0 195.262 1.908 10 0 ADAERN CCc1cccc2c1N(C)C(=O)[C@@H]2N 82588400 167750045 /nfs/dbraw/zinc/75/00/45/167750045.db2.gz OJTQTHBUKFUCBR-SECBINFHSA-N 0 0 190.246 1.225 10 0 ADAERN CCc1cccc(NCC(=O)OC)c1 20054820 167750345 /nfs/dbraw/zinc/75/03/45/167750345.db2.gz HDISYTAZTGCPST-UHFFFAOYSA-N 0 0 193.246 1.834 10 0 ADAERN CCc1cccc(OCCC(N)=O)c1 33432860 167750351 /nfs/dbraw/zinc/75/03/51/167750351.db2.gz FITFJZXTHPXBSI-UHFFFAOYSA-N 0 0 193.246 1.503 10 0 ADAERN CCc1cccc(NCCO)c1 20054819 167750637 /nfs/dbraw/zinc/75/06/37/167750637.db2.gz KDISEFXCEKAPKF-UHFFFAOYSA-N 0 0 165.236 1.653 10 0 ADAERN CCc1cccc(OCC(N)=O)c1 33432749 167751038 /nfs/dbraw/zinc/75/10/38/167751038.db2.gz CQQMOHVOXJDXTO-UHFFFAOYSA-N 0 0 179.219 1.113 10 0 ADAERN CCc1cccc2c1CC(=O)O2 34060593 167751265 /nfs/dbraw/zinc/75/12/65/167751265.db2.gz QVKHVNYGBGDOGE-UHFFFAOYSA-N 0 0 162.188 1.711 10 0 ADAERN CCc1cccc2c1NC[C@H](CO)C2 11633129 167752143 /nfs/dbraw/zinc/75/21/43/167752143.db2.gz IGVZFKYXERGOBE-SECBINFHSA-N 0 0 191.274 1.826 10 0 ADAERN CCc1cccc2nc(CN)oc12 62519502 167752210 /nfs/dbraw/zinc/75/22/10/167752210.db2.gz IOVGVZIIMUAWOS-UHFFFAOYSA-N 0 0 176.219 1.849 10 0 ADAERN CCc1cccc2c1NC[C@@H]2CO 71486781 167752257 /nfs/dbraw/zinc/75/22/57/167752257.db2.gz XGZSVPAAGAWCTR-SECBINFHSA-N 0 0 177.247 1.750 10 0 ADAERN CCc1cccc2c1OCC(=O)N2 62519552 167752266 /nfs/dbraw/zinc/75/22/66/167752266.db2.gz GIYIPNVUENKRET-UHFFFAOYSA-N 0 0 177.203 1.580 10 0 ADAERN CCc1ccccc1N(C)N 41167122 167752424 /nfs/dbraw/zinc/75/24/24/167752424.db2.gz REBGMHZPSBLIBT-UHFFFAOYSA-N 0 0 150.225 1.559 10 0 ADAERN CCc1cccc2nc(N)oc12 62498502 167752445 /nfs/dbraw/zinc/75/24/45/167752445.db2.gz OAFNGQQVCRQWCN-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN CCc1ccccc1/C=C/C(N)=O 44262237 167752696 /nfs/dbraw/zinc/75/26/96/167752696.db2.gz BGXYPDIPAFWHNI-BQYQJAHWSA-N 0 0 175.231 1.748 10 0 ADAERN CCc1ccccc1NCC(N)=O 20053888 167753655 /nfs/dbraw/zinc/75/36/55/167753655.db2.gz ZYHJSMJRMMKQSN-UHFFFAOYSA-N 0 0 178.235 1.146 10 0 ADAERN CCc1ccccc1N[C@H](C)C(N)=O 20301496 167753820 /nfs/dbraw/zinc/75/38/20/167753820.db2.gz LZNSNNOGSGNQDJ-MRVPVSSYSA-N 0 0 192.262 1.535 10 0 ADAERN CCc1ccnc(C=O)c1OC1CC1 95721472 167755677 /nfs/dbraw/zinc/75/56/77/167755677.db2.gz JGYWBDRYTQEINP-UHFFFAOYSA-N 0 0 191.230 1.998 10 0 ADAERN CCc1ccn2c(C=O)cnc2c1 82399473 167755822 /nfs/dbraw/zinc/75/58/22/167755822.db2.gz YALWPZCPKQWPLG-UHFFFAOYSA-N 0 0 174.203 1.709 10 0 ADAERN CCc1cn2c(N)cnc2s1 36286054 167755837 /nfs/dbraw/zinc/75/58/37/167755837.db2.gz FVRLXDLDKPOQBH-UHFFFAOYSA-N 0 0 167.237 1.540 10 0 ADAERN CCc1ccnc(F)c1N 39051133 167756024 /nfs/dbraw/zinc/75/60/24/167756024.db2.gz FVAIOLBQBKZLJY-UHFFFAOYSA-N 0 0 140.161 1.365 10 0 ADAERN CCc1ccnc(C(=O)N(C)CC)c1 336617482 167756446 /nfs/dbraw/zinc/75/64/46/167756446.db2.gz DNFVBLCBYBJODW-UHFFFAOYSA-N 0 0 192.262 1.736 10 0 ADAERN CCc1cnc(OC)cn1 5956845 167756788 /nfs/dbraw/zinc/75/67/88/167756788.db2.gz WPGWHDYIRYZAHO-UHFFFAOYSA-N 0 0 138.170 1.048 10 0 ADAERN CCc1cnc(C(C)=O)cn1 150222774 167756879 /nfs/dbraw/zinc/75/68/79/167756879.db2.gz MIDJYAWTZWQJGX-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN CCc1cnc(C)nc1 39213267 167757180 /nfs/dbraw/zinc/75/71/80/167757180.db2.gz MTLVCZCTTNTNHX-UHFFFAOYSA-N 0 0 122.171 1.347 10 0 ADAERN CCc1cncs1 32150366 167757277 /nfs/dbraw/zinc/75/72/77/167757277.db2.gz ASAMCDOTLOUAAR-UHFFFAOYSA-N 0 0 113.185 1.706 10 0 ADAERN CCc1cnc(OC)c(C)n1 39113390 167757317 /nfs/dbraw/zinc/75/73/17/167757317.db2.gz KTGLSFZUDOBUIA-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN CCc1cncc(OC)n1 5956846 167757580 /nfs/dbraw/zinc/75/75/80/167757580.db2.gz ROWQNTVAFQMDSV-UHFFFAOYSA-N 0 0 138.170 1.048 10 0 ADAERN CCc1cnc2ccccc2[n+]1[O-] 32192869 167757838 /nfs/dbraw/zinc/75/78/38/167757838.db2.gz IWBOEOPSFOYTAS-UHFFFAOYSA-N 0 0 174.203 1.431 10 0 ADAERN CCc1cncnc1OC 39053125 167757947 /nfs/dbraw/zinc/75/79/47/167757947.db2.gz VNXDTGSVBDPVGT-UHFFFAOYSA-N 0 0 138.170 1.048 10 0 ADAERN CCc1cnncc1Br 82391918 167757960 /nfs/dbraw/zinc/75/79/60/167757960.db2.gz PAZUDVKMKKWETO-UHFFFAOYSA-N 0 0 187.040 1.802 10 0 ADAERN CCc1cnn(C(C)(C)C)c1N 95761099 167757995 /nfs/dbraw/zinc/75/79/95/167757995.db2.gz ZZKCHKXIXHRIIQ-UHFFFAOYSA-N 0 0 167.256 1.783 10 0 ADAERN CCc1c[nH]c(=O)n1CC 17810706 167758063 /nfs/dbraw/zinc/75/80/63/167758063.db2.gz AQXKUDTYLSRGII-UHFFFAOYSA-N 0 0 140.186 1.171 10 0 ADAERN CCc1cnc(=S)[nH]c1 39053224 167758102 /nfs/dbraw/zinc/75/81/02/167758102.db2.gz BVYKGSZSEMEXLK-UHFFFAOYSA-N 0 0 140.211 1.702 10 0 ADAERN CCc1cn2cccc(N)c2n1 77261339 167758380 /nfs/dbraw/zinc/75/83/80/167758380.db2.gz ZKFDIXZVSYTDQI-UHFFFAOYSA-N 0 0 161.208 1.479 10 0 ADAERN CCc1cncc(OC2CC2)c1C=O 95727055 167758399 /nfs/dbraw/zinc/75/83/99/167758399.db2.gz SRAZSPASERVJIZ-UHFFFAOYSA-N 0 0 191.230 1.998 10 0 ADAERN CCc1cnc(C)cc1C(N)=O 238322490 167758758 /nfs/dbraw/zinc/75/87/58/167758758.db2.gz ZZARJRKRBGASRY-UHFFFAOYSA-N 0 0 164.208 1.051 10 0 ADAERN CCc1cnns1 34109281 167758845 /nfs/dbraw/zinc/75/88/45/167758845.db2.gz GDDKKWLMJNGOFS-UHFFFAOYSA-N 0 0 114.173 1.101 10 0 ADAERN CCc1cnc(CC)c(N(C)C)n1 39114173 167758880 /nfs/dbraw/zinc/75/88/80/167758880.db2.gz QDQQBWOXTLDBFI-UHFFFAOYSA-N 0 0 179.267 1.667 10 0 ADAERN CCc1cnccc1C(=O)N(C)CC 334436918 167759114 /nfs/dbraw/zinc/75/91/14/167759114.db2.gz QMHPPLXDVRUIAV-UHFFFAOYSA-N 0 0 192.262 1.736 10 0 ADAERN CCc1cnc(NC)nc1 39052745 167759120 /nfs/dbraw/zinc/75/91/20/167759120.db2.gz HAUWYEXWTQWCCH-UHFFFAOYSA-N 0 0 137.186 1.081 10 0 ADAERN CCc1csc(CC(=O)OC)n1 50182035 167759391 /nfs/dbraw/zinc/75/93/91/167759391.db2.gz YTJBSNOUYLFUOJ-UHFFFAOYSA-N 0 0 185.248 1.421 10 0 ADAERN CCc1csc(N2CCCN2)n1 307197199 167759447 /nfs/dbraw/zinc/75/94/47/167759447.db2.gz QVBHTXRGAYNOEV-UHFFFAOYSA-N 0 0 183.280 1.420 10 0 ADAERN CCc1nc(-c2cccnc2)n[nH]1 40175790 167759790 /nfs/dbraw/zinc/75/97/90/167759790.db2.gz ZTJRZYOTHPYVKP-UHFFFAOYSA-N 0 0 174.207 1.429 10 0 ADAERN CCc1nc(-c2ccc(N)cc2)n[nH]1 40175804 167760133 /nfs/dbraw/zinc/76/01/33/167760133.db2.gz YBMLWZWFZDBCCI-UHFFFAOYSA-N 0 0 188.234 1.616 10 0 ADAERN CCc1csc(N[C@@H]2CC[C@H]2O)n1 306322350 167760198 /nfs/dbraw/zinc/76/01/98/167760198.db2.gz JUKOTRFPRJQEAM-HTQZYQBOSA-N 0 0 198.291 1.641 10 0 ADAERN CCc1nc(-c2ccncc2)n[nH]1 40175791 167761819 /nfs/dbraw/zinc/76/18/19/167761819.db2.gz OVBXQXZBOHKFFV-UHFFFAOYSA-N 0 0 174.207 1.429 10 0 ADAERN CCc1nc(C(F)(F)F)n[nH]1 41043701 167761872 /nfs/dbraw/zinc/76/18/72/167761872.db2.gz XCMFMABSVYLASO-UHFFFAOYSA-N 0 0 165.118 1.386 10 0 ADAERN CCc1csc(C(=O)OC)c1N 90513844 167762045 /nfs/dbraw/zinc/76/20/45/167762045.db2.gz ILNNPKSMOBSREJ-UHFFFAOYSA-N 0 0 185.248 1.679 10 0 ADAERN CCc1nc(-c2cncn2C)no1 307190762 167763370 /nfs/dbraw/zinc/76/33/70/167763370.db2.gz AAMPBEQETGWARA-UHFFFAOYSA-N 0 0 178.195 1.033 10 0 ADAERN CCc1nc(C(=O)N2CCC2)c(C)o1 336472493 167764006 /nfs/dbraw/zinc/76/40/06/167764006.db2.gz QARSPQIUFJOKHI-UHFFFAOYSA-N 0 0 194.234 1.391 10 0 ADAERN CCc1nc(-c2cncs2)no1 306277275 167764153 /nfs/dbraw/zinc/76/41/53/167764153.db2.gz FQJAZWHXLLVMSS-UHFFFAOYSA-N 0 0 181.220 1.756 10 0 ADAERN CCc1nc(-c2cscn2)no1 306187822 167764413 /nfs/dbraw/zinc/76/44/13/167764413.db2.gz OAWMNZHSBXAOMJ-UHFFFAOYSA-N 0 0 181.220 1.756 10 0 ADAERN CCc1nc(C=O)co1 76571134 167766317 /nfs/dbraw/zinc/76/63/17/167766317.db2.gz NHTFQDQNVJSERM-UHFFFAOYSA-N 0 0 125.127 1.050 10 0 ADAERN CCc1nc(C)cc(C)n1 39052971 167767226 /nfs/dbraw/zinc/76/72/26/167767226.db2.gz XZLHVZLCEDBOAA-UHFFFAOYSA-N 0 0 136.198 1.656 10 0 ADAERN CCc1nc(C)c(NC(=O)NC)s1 307067780 167767665 /nfs/dbraw/zinc/76/76/65/167767665.db2.gz LLQQWXBWMFDNJA-UHFFFAOYSA-N 0 0 199.279 1.765 10 0 ADAERN CCc1nc(C)c[n+]([O-])c1CC 22057363 167768009 /nfs/dbraw/zinc/76/80/09/167768009.db2.gz MRNLEIYUYSZLJQ-UHFFFAOYSA-N 0 0 166.224 1.148 10 0 in-vitro ADAERN CCc1nc(C)oc1C 5956077 167768533 /nfs/dbraw/zinc/76/85/33/167768533.db2.gz YZZBROGKUWYQOL-UHFFFAOYSA-N 0 0 125.171 1.854 10 0 endogenous,in-man ADAERN CCc1nc(Cl)c2cnn(C)c2n1 26467048 167768971 /nfs/dbraw/zinc/76/89/71/167768971.db2.gz ZZKLOYCCRZRUOB-UHFFFAOYSA-N 0 0 196.641 1.579 10 0 ADAERN CCc1nc(Cc2cccnc2)no1 336382665 167769039 /nfs/dbraw/zinc/76/90/39/167769039.db2.gz DJXAWHDPWHXGAB-UHFFFAOYSA-N 0 0 189.218 1.618 10 0 ADAERN CCc1nc(N)cc(OCC(C)C)n1 82483216 167769052 /nfs/dbraw/zinc/76/90/52/167769052.db2.gz GKOMLIIIVODKKI-UHFFFAOYSA-N 0 0 195.266 1.656 10 0 ADAERN CCc1nc([C@@H](C)CC)c(N)n1N 52838661 167769169 /nfs/dbraw/zinc/76/91/69/167769169.db2.gz YYUBNTJYQQXJTI-LURJTMIESA-N 0 0 182.271 1.255 10 0 ADAERN CCc1nc(CN2C[C@@H](C)[C@@H]2C)no1 335931100 167769180 /nfs/dbraw/zinc/76/91/80/167769180.db2.gz VVYXHENNMCHNMU-SFYZADRCSA-N 0 0 195.266 1.472 10 0 ADAERN CCc1nc(OC)cc(OC)n1 37593971 167769199 /nfs/dbraw/zinc/76/91/99/167769199.db2.gz LEYLQFDPMVRSJW-UHFFFAOYSA-N 0 0 168.196 1.056 10 0 ADAERN CCc1nc(CN2C[C@H](C)[C@H]2C)no1 335931099 167769761 /nfs/dbraw/zinc/76/97/61/167769761.db2.gz VVYXHENNMCHNMU-JGVFFNPUSA-N 0 0 195.266 1.472 10 0 ADAERN CCc1nc(Cl)c(N)c(=S)[nH]1 39206906 167769765 /nfs/dbraw/zinc/76/97/65/167769765.db2.gz FWSHLHPWAXPSGJ-UHFFFAOYSA-N 0 0 189.671 1.563 10 0 ADAERN CCc1nc(Cl)nc(Cl)c1N 41581521 167769952 /nfs/dbraw/zinc/76/99/52/167769952.db2.gz RXUMFSQKTSCZER-UHFFFAOYSA-N 0 0 192.049 1.928 10 0 ADAERN CCc1nc(CO)c(C)s1 39134443 167770146 /nfs/dbraw/zinc/77/01/46/167770146.db2.gz GYLVKZNLIUPHOD-UHFFFAOYSA-N 0 0 157.238 1.506 10 0 ADAERN CCc1nc(N)n(C(C)C)n1 54404642 167770148 /nfs/dbraw/zinc/77/01/48/167770148.db2.gz ZULXTMGCHIGUAC-UHFFFAOYSA-N 0 0 154.217 1.004 10 0 ADAERN CCc1nc(N)c2ccsc2n1 50841236 167770170 /nfs/dbraw/zinc/77/01/70/167770170.db2.gz KHXWSXSIOPXSBJ-UHFFFAOYSA-N 0 0 179.248 1.836 10 0 ADAERN CCc1nc(COC)cc(NC)n1 51697445 167770323 /nfs/dbraw/zinc/77/03/23/167770323.db2.gz RTXQBVDKIKMXKH-UHFFFAOYSA-N 0 0 181.239 1.227 10 0 ADAERN CCc1nc(N)n(CC(C)C)n1 54404624 167770371 /nfs/dbraw/zinc/77/03/71/167770371.db2.gz LYCSIYLCATWOJM-UHFFFAOYSA-N 0 0 168.244 1.079 10 0 ADAERN CCc1nc(CN2[C@@H](C)C[C@@H]2C)no1 335756557 167770609 /nfs/dbraw/zinc/77/06/09/167770609.db2.gz UBPRJEQLGMHEGE-YUMQZZPRSA-N 0 0 195.266 1.615 10 0 ADAERN CCc1nc(Cl)c2c(C)[nH]nc2n1 95935593 167770716 /nfs/dbraw/zinc/77/07/16/167770716.db2.gz XJTJDYFHPXDYGU-UHFFFAOYSA-N 0 0 196.641 1.877 10 0 ADAERN CCc1nc(N)n([C@@H](C)CC)n1 54404640 167770896 /nfs/dbraw/zinc/77/08/96/167770896.db2.gz ZWGOUAVFXCNOLT-LURJTMIESA-N 0 0 168.244 1.394 10 0 ADAERN CCc1nc(N)c2c(C)nsc2n1 39191802 167771045 /nfs/dbraw/zinc/77/10/45/167771045.db2.gz FEVYZYFSKGCMQR-UHFFFAOYSA-N 0 0 194.263 1.539 10 0 ADAERN CCc1nc(Cl)nc(NN)c1C 73737752 167771204 /nfs/dbraw/zinc/77/12/04/167771204.db2.gz CQDPWUJHLWUPHW-UHFFFAOYSA-N 0 0 186.646 1.286 10 0 ADAERN CCc1nc(N)n([C@@H](C)C2CC2)n1 54404645 167771542 /nfs/dbraw/zinc/77/15/42/167771542.db2.gz GJWKONSIJGXRDS-LURJTMIESA-N 0 0 180.255 1.394 10 0 ADAERN CCc1nc2cc(C=O)ccc2n1C 82588190 167771717 /nfs/dbraw/zinc/77/17/17/167771717.db2.gz CSUAVGPGUNHHOO-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN CCc1nc([C@H]2C[C@@H]2C)no1 306465708 167771804 /nfs/dbraw/zinc/77/18/04/167771804.db2.gz OMXDVAVRYZWPFV-WDSKDSINSA-N 0 0 152.197 1.755 10 0 ADAERN CCc1nc([C@@H]2C[C@@H]2C)no1 306465705 167772039 /nfs/dbraw/zinc/77/20/39/167772039.db2.gz OMXDVAVRYZWPFV-NTSWFWBYSA-N 0 0 152.197 1.755 10 0 ADAERN CCc1nc([C@H]2C[C@H]2C)no1 306465707 167772680 /nfs/dbraw/zinc/77/26/80/167772680.db2.gz OMXDVAVRYZWPFV-RITPCOANSA-N 0 0 152.197 1.755 10 0 ADAERN CCc1nc([C@@H]2CCCO2)no1 306294291 167774557 /nfs/dbraw/zinc/77/45/57/167774557.db2.gz VWIMXYZFMWRGGZ-LURJTMIESA-N 0 0 168.196 1.484 10 0 ADAERN CCc1nc([C@H](C)CC)c(N)n1N 52838663 167774700 /nfs/dbraw/zinc/77/47/00/167774700.db2.gz YYUBNTJYQQXJTI-ZCFIWIBFSA-N 0 0 182.271 1.255 10 0 ADAERN CCc1nc2ccc(CO)cc2o1 75411173 167775331 /nfs/dbraw/zinc/77/53/31/167775331.db2.gz BWATVBMLJUIXDT-UHFFFAOYSA-N 0 0 177.203 1.883 10 0 ADAERN CCc1nc2cc(O)ccc2[nH]1 36197787 167776174 /nfs/dbraw/zinc/77/61/74/167776174.db2.gz GKLHZAQLXOPKLU-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN CCc1nc2cnccc2o1 147910239 167776373 /nfs/dbraw/zinc/77/63/73/167776373.db2.gz UBGCZJRZKQOJGG-UHFFFAOYSA-N 0 0 148.165 1.785 10 0 ADAERN CCc1nc2n(n1)CC[C@@H](C)C2 82750447 167776545 /nfs/dbraw/zinc/77/65/45/167776545.db2.gz YQUHDUNTYMAXLU-SSDOTTSWSA-N 0 0 165.240 1.423 10 0 ADAERN CCc1ncc(C(=O)OC)c(C)n1 45956994 167776563 /nfs/dbraw/zinc/77/65/63/167776563.db2.gz OLJDFGBZCZAGNC-UHFFFAOYSA-N 0 0 180.207 1.134 10 0 ADAERN CCc1nc2n(n1)[C@@H](C)CCC2 82754578 167776567 /nfs/dbraw/zinc/77/65/67/167776567.db2.gz YHWUSJLSQNPKIP-ZETCQYMHSA-N 0 0 165.240 1.738 10 0 ADAERN CCc1nc2ccncn2c1C=O 82399122 167776592 /nfs/dbraw/zinc/77/65/92/167776592.db2.gz SGZWXHAQTADZIY-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CCc1nc(C2OCCO2)c[nH]1 44230884 167776812 /nfs/dbraw/zinc/77/68/12/167776812.db2.gz QGMPAHODUSYMSS-UHFFFAOYSA-N 0 0 168.196 1.018 10 0 ADAERN CCc1nc2cc(C)cnc2[nH]1 57765189 167777033 /nfs/dbraw/zinc/77/70/33/167777033.db2.gz ACYDEGLSYNPGJM-UHFFFAOYSA-N 0 0 161.208 1.829 10 0 ADAERN CCc1nc2ncc(N)cc2o1 74327647 167777167 /nfs/dbraw/zinc/77/71/67/167777167.db2.gz PSJDKTQSMAHSMA-UHFFFAOYSA-N 0 0 163.180 1.367 10 0 ADAERN CCc1nc2ccc(C)cn2n1 82749273 167777927 /nfs/dbraw/zinc/77/79/27/167777927.db2.gz JCFPIXFDRDTZOF-UHFFFAOYSA-N 0 0 161.208 1.600 10 0 ADAERN CCc1ncc(OC2CC2)cc1C=O 95722794 167778566 /nfs/dbraw/zinc/77/85/66/167778566.db2.gz WUIZOJUZYCFHNQ-UHFFFAOYSA-N 0 0 191.230 1.998 10 0 ADAERN CCc1ncc(CO)s1 37924783 167780058 /nfs/dbraw/zinc/78/00/58/167780058.db2.gz FJRFBJJNVQHNBM-UHFFFAOYSA-N 0 0 143.211 1.198 10 0 in-vitro ADAERN CCc1ncc(OC2CC2)cc1N 95725088 167781453 /nfs/dbraw/zinc/78/14/53/167781453.db2.gz HMFXILPBZPAXRX-UHFFFAOYSA-N 0 0 178.235 1.767 10 0 ADAERN CCc1ncnc2[nH]c(=S)[nH]c12 39132967 167782150 /nfs/dbraw/zinc/78/21/50/167782150.db2.gz ZOGXCRAHZPSMRC-UHFFFAOYSA-N 0 0 180.236 1.578 10 0 ADAERN CCc1nn(C)c2ccc(N)cc12 76191304 167782241 /nfs/dbraw/zinc/78/22/41/167782241.db2.gz LWJWUWFOJDCGTO-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN CCc1nn(C(C)C)c(N)c1C 3621017 167782284 /nfs/dbraw/zinc/78/22/84/167782284.db2.gz AMBTZENTLFRRQB-UHFFFAOYSA-N 0 0 167.256 1.917 10 0 ADAERN CCc1nn(CC)c(Cl)c1CO 41043616 167782376 /nfs/dbraw/zinc/78/23/76/167782376.db2.gz KHWLKVKLBGVUPU-UHFFFAOYSA-N 0 0 188.658 1.611 10 0 ADAERN CCc1nn(C)cc1[C@H](C)O 26546661 167782518 /nfs/dbraw/zinc/78/25/18/167782518.db2.gz QYWWHRCWUOBXJH-LURJTMIESA-N 0 0 154.213 1.036 10 0 ADAERN CCc1nn(C)c(Cl)c1CO 34975478 167782815 /nfs/dbraw/zinc/78/28/15/167782815.db2.gz WBRWJUXIILNDJP-UHFFFAOYSA-N 0 0 174.631 1.128 10 0 ADAERN CCc1nn(C)cc1[C@H](O)CC 26546816 167783267 /nfs/dbraw/zinc/78/32/67/167783267.db2.gz SBDUXSURWWRLNW-SECBINFHSA-N 0 0 168.240 1.426 10 0 ADAERN CCc1ncnc2[nH]ccc12 21017796 167783361 /nfs/dbraw/zinc/78/33/61/167783361.db2.gz FUBXTUCEVUALIV-UHFFFAOYSA-N 0 0 147.181 1.520 10 0 ADAERN CCc1nn(CC)cc1C=O 26545558 167783623 /nfs/dbraw/zinc/78/36/23/167783623.db2.gz XQNSBAQKZITSMT-UHFFFAOYSA-N 0 0 152.197 1.278 10 0 ADAERN CCc1ncncc1Cl 39052503 167784231 /nfs/dbraw/zinc/78/42/31/167784231.db2.gz VVMFRCLFEHYVPL-UHFFFAOYSA-N 0 0 142.589 1.692 10 0 ADAERN CCc1nn(C)c2c1C(=O)CCC2 82823443 167784472 /nfs/dbraw/zinc/78/44/72/167784472.db2.gz PXAJARSGDDKUIW-UHFFFAOYSA-N 0 0 178.235 1.502 10 0 ADAERN CCc1nnc(CSC)n1C 306232696 167784680 /nfs/dbraw/zinc/78/46/80/167784680.db2.gz CMDIXJKLZORORR-UHFFFAOYSA-N 0 0 171.269 1.241 10 0 ADAERN CCc1noc(-c2ccsc2N)n1 101293398 167785029 /nfs/dbraw/zinc/78/50/29/167785029.db2.gz LRUJQYFFEDDZQC-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CCc1noc(-c2ccc(F)cn2)n1 334286563 167785166 /nfs/dbraw/zinc/78/51/66/167785166.db2.gz HCPIYIUDQKGDHS-UHFFFAOYSA-N 0 0 193.181 1.833 10 0 ADAERN CCc1noc(-c2ccc(N)s2)n1 102030058 167785554 /nfs/dbraw/zinc/78/55/54/167785554.db2.gz KUKLGAVMGLFTIG-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CCc1nnnn1-c1ccccc1 31560436 167786232 /nfs/dbraw/zinc/78/62/32/167786232.db2.gz WVYXSUZGELRXRA-UHFFFAOYSA-N 0 0 174.207 1.225 10 0 ADAERN CCc1nnc(-c2ccccc2N)o1 36335838 167786307 /nfs/dbraw/zinc/78/63/07/167786307.db2.gz BUDSEPXWBBLLBV-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CCc1noc(-c2n[nH]c(C)c2C)n1 336507266 167786820 /nfs/dbraw/zinc/78/68/20/167786820.db2.gz MSXZTYWPNDGABG-UHFFFAOYSA-N 0 0 192.222 1.639 10 0 ADAERN CCc1nnc2n1N[C@@H](C)[C@@H](C)S2 36150589 167786850 /nfs/dbraw/zinc/78/68/50/167786850.db2.gz SDMHNQFMRGRPTJ-NTSWFWBYSA-N 0 0 198.295 1.267 10 0 ADAERN CCc1nnc2n1N[C@H](C)[C@H](C)S2 36150582 167786912 /nfs/dbraw/zinc/78/69/12/167786912.db2.gz SDMHNQFMRGRPTJ-RITPCOANSA-N 0 0 198.295 1.267 10 0 ADAERN CCc1noc(-c2ccc(N)nc2)n1 45894967 167787226 /nfs/dbraw/zinc/78/72/26/167787226.db2.gz SYCHJXJAIHTAAY-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CCc1no[n+]([O-])c1CC(C)C 5477097 167787615 /nfs/dbraw/zinc/78/76/15/167787615.db2.gz BCYHEZRLWLHKGO-UHFFFAOYSA-N 0 0 170.212 1.069 10 0 ADAERN CCc1noc([C@]2(C)CCCO2)n1 306502955 167788137 /nfs/dbraw/zinc/78/81/37/167788137.db2.gz HNZRFQYPIAWPLM-VIFPVBQESA-N 0 0 182.223 1.658 10 0 ADAERN CCc1noc(N)c1-c1ccccn1 77274494 167788390 /nfs/dbraw/zinc/78/83/90/167788390.db2.gz YOQRQUUDGJHAHV-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CCc1noc(NC[C@H]2CCCO2)n1 57353935 167788691 /nfs/dbraw/zinc/78/86/91/167788691.db2.gz VWBGGIKAXABNGY-SSDOTTSWSA-N 0 0 197.238 1.223 10 0 ADAERN CCc1noc([C@@H](N)CC(C)C)n1 20019438 167788915 /nfs/dbraw/zinc/78/89/15/167788915.db2.gz SSWWDFYIAUZAHY-ZETCQYMHSA-N 0 0 183.255 1.678 10 0 ADAERN CCc1noc([C@@H](CC)NC)n1 44625857 167789242 /nfs/dbraw/zinc/78/92/42/167789242.db2.gz DAQZWVUPIQOAEG-ZCFIWIBFSA-N 0 0 169.228 1.303 10 0 ADAERN CCc1noc(CC(F)(F)F)n1 306813938 167789664 /nfs/dbraw/zinc/78/96/64/167789664.db2.gz BKELLTLRGSVIJQ-UHFFFAOYSA-N 0 0 180.129 1.737 10 0 ADAERN CCc1noc(C)c1CNC(C)=O 334219397 167789809 /nfs/dbraw/zinc/78/98/09/167789809.db2.gz UMTYQFUAWNESPO-UHFFFAOYSA-N 0 0 182.223 1.182 10 0 ADAERN CCc1noc(CC)c1N 82410261 167790084 /nfs/dbraw/zinc/79/00/84/167790084.db2.gz VRGDRFRWHASLDY-UHFFFAOYSA-N 0 0 140.186 1.382 10 0 ADAERN CCc1noc(C)c1NC(=O)NC 307728403 167790154 /nfs/dbraw/zinc/79/01/54/167790154.db2.gz GFXACUWGJKVEOA-UHFFFAOYSA-N 0 0 183.211 1.297 10 0 ADAERN CCc1noc([C@H]2CCOC[C@H]2C)n1 334588891 167790466 /nfs/dbraw/zinc/79/04/66/167790466.db2.gz FVCUXKNGIZBHDH-SFYZADRCSA-N 0 0 196.250 1.772 10 0 ADAERN CCc1oc(=O)c(Cl)nc1Cl 39124098 167791048 /nfs/dbraw/zinc/79/10/48/167791048.db2.gz BNKWTZXQHJHKCI-UHFFFAOYSA-N 0 0 194.017 1.904 10 0 ADAERN CCc1ocnc1C(=O)N1CCCO1 336064547 167791615 /nfs/dbraw/zinc/79/16/15/167791615.db2.gz GQNSIXWDWWOWDN-UHFFFAOYSA-N 0 0 196.206 1.015 10 0 ADAERN CCc1occc1C(=O)N[C@@H]1C[C@H]1C 336140992 167791746 /nfs/dbraw/zinc/79/17/46/167791746.db2.gz CHBDDLXQUYQZBZ-VXNVDRBHSA-N 0 0 193.246 1.980 10 0 ADAERN CCc1occc1C(=O)N1CC(C)C1 335314468 167791823 /nfs/dbraw/zinc/79/18/23/167791823.db2.gz YEYGTHUGYOCVPI-UHFFFAOYSA-N 0 0 193.246 1.934 10 0 ADAERN CCc1oc(C=O)cc1C 82410707 167792786 /nfs/dbraw/zinc/79/27/86/167792786.db2.gz ZGGVCQTXZSKNHX-UHFFFAOYSA-N 0 0 138.166 1.963 10 0 ADAERN CCc1onc(C(=O)OC)c1C 39113314 167792839 /nfs/dbraw/zinc/79/28/39/167792839.db2.gz JOAJKFVDJOKQDB-UHFFFAOYSA-N 0 0 169.180 1.332 10 0 ADAERN CCc1ocnc1C(=O)N1CC(C)C1 334199122 167792924 /nfs/dbraw/zinc/79/29/24/167792924.db2.gz PAYYNVYTHSHUAI-UHFFFAOYSA-N 0 0 194.234 1.329 10 0 ADAERN CCc1onc(N)c1C 82411402 167793151 /nfs/dbraw/zinc/79/31/51/167793151.db2.gz NTJCFBRCIKSPMW-UHFFFAOYSA-N 0 0 126.159 1.128 10 0 ADAERN CCc1onc(C)c1C(=O)N(C)CC 336509159 167793187 /nfs/dbraw/zinc/79/31/87/167793187.db2.gz VZHBUNNGHXQQER-UHFFFAOYSA-N 0 0 196.250 1.637 10 0 ADAERN CCc1oc(N)cc1C 107109802 167793301 /nfs/dbraw/zinc/79/33/01/167793301.db2.gz LHLQDSMYRJLMJK-UHFFFAOYSA-N 0 0 125.171 1.733 10 0 ADAERN CCn1c(C(C)=O)cnc1C 39069816 167794278 /nfs/dbraw/zinc/79/42/78/167794278.db2.gz FMHKREROEFVVOL-UHFFFAOYSA-N 0 0 152.197 1.414 10 0 ADAERN CCn1c(C)cc2n[nH]cc2c1=O 72416709 167794368 /nfs/dbraw/zinc/79/43/68/167794368.db2.gz DNHHKMMUAUJWPV-UHFFFAOYSA-N 0 0 177.207 1.053 10 0 ADAERN CCn1c(C(C)C)c(N)c(=O)n1CC 41043684 167794445 /nfs/dbraw/zinc/79/44/45/167794445.db2.gz XQXFBUJXMXXWJK-UHFFFAOYSA-N 0 0 197.282 1.395 10 0 ADAERN CCn1c(=O)oc2c(N)cccc21 11632529 167794488 /nfs/dbraw/zinc/79/44/88/167794488.db2.gz KQADKBRJYBISTM-UHFFFAOYSA-N 0 0 178.191 1.197 10 0 ADAERN CCn1c(C)ccc1C(=O)OC 39058633 167794723 /nfs/dbraw/zinc/79/47/23/167794723.db2.gz FOBDMYIXXLRITC-UHFFFAOYSA-N 0 0 167.208 1.603 10 0 ADAERN CCn1c(=O)oc2ccc(CO)cc21 75409885 167794982 /nfs/dbraw/zinc/79/49/82/167794982.db2.gz DAHNTLNNZMTQST-UHFFFAOYSA-N 0 0 193.202 1.107 10 0 ADAERN CCn1c(C)nc2c(N)cccc21 36282318 167795201 /nfs/dbraw/zinc/79/52/01/167795201.db2.gz HKNLELACRIJSEJ-UHFFFAOYSA-N 0 0 175.235 1.947 10 0 ADAERN CCn1c(C)c(N)c(=O)n1CC(C)C 41067290 167795293 /nfs/dbraw/zinc/79/52/93/167795293.db2.gz AHQDMNQWUOFDEP-UHFFFAOYSA-N 0 0 197.282 1.216 10 0 ADAERN CCn1c(=O)[nH]c2cc(C)c(C)cc21 45238520 167795411 /nfs/dbraw/zinc/79/54/11/167795411.db2.gz OTGPKOFCJKXYOA-UHFFFAOYSA-N 0 0 190.246 1.966 10 0 ADAERN CCn1c(C)nc2cc(N)cnc21 82529389 167795480 /nfs/dbraw/zinc/79/54/80/167795480.db2.gz PYOWRGXFCKOVNE-UHFFFAOYSA-N 0 0 176.223 1.342 10 0 ADAERN CCn1c(C)c(N)c(=O)n1C(C)C 40933255 167795596 /nfs/dbraw/zinc/79/55/96/167795596.db2.gz UUGYZZVRTUJLSV-UHFFFAOYSA-N 0 0 183.255 1.141 10 0 ADAERN CCn1c(=O)c(N)c(C(C)(C)C)n1C 41043625 167795609 /nfs/dbraw/zinc/79/56/09/167795609.db2.gz UCHRAXHVCIKNLQ-UHFFFAOYSA-N 0 0 197.282 1.086 10 0 ADAERN CCn1c(C)cc(/C=C\C(N)=O)c1C 44278539 167795749 /nfs/dbraw/zinc/79/57/49/167795749.db2.gz RTMMDLSDZYAECF-WAYWQWQTSA-N 0 0 192.262 1.623 10 0 ADAERN CCn1c(-c2cccs2)noc1=O 307443041 167795805 /nfs/dbraw/zinc/79/58/05/167795805.db2.gz AZLQCMWSOOBRCL-UHFFFAOYSA-N 0 0 196.231 1.585 10 0 ADAERN CCn1c(=O)oc2cccc(N)c21 74405383 167795812 /nfs/dbraw/zinc/79/58/12/167795812.db2.gz ICYXYBSIJASVGR-UHFFFAOYSA-N 0 0 178.191 1.197 10 0 ADAERN CCn1c(C)ccc(C(C)=O)c1=O 36274858 167795967 /nfs/dbraw/zinc/79/59/67/167795967.db2.gz GWGLLBFMTLTSSI-UHFFFAOYSA-N 0 0 179.219 1.379 10 0 ADAERN CCn1c(C)nnc1N(C)C1CC1 307180271 167796471 /nfs/dbraw/zinc/79/64/71/167796471.db2.gz LJBJXOCBNVGDDJ-UHFFFAOYSA-N 0 0 180.255 1.205 10 0 ADAERN CCn1cc(-c2n[nH]cc2Cl)cn1 15937333 167796758 /nfs/dbraw/zinc/79/67/58/167796758.db2.gz YINLYIIAQZOMEF-UHFFFAOYSA-N 0 0 196.641 1.947 10 0 ADAERN CCn1cc(C(=O)CCOC)cn1 43468232 167797913 /nfs/dbraw/zinc/79/79/13/167797913.db2.gz BSESZJLBYPFZEB-UHFFFAOYSA-N 0 0 182.223 1.122 10 0 ADAERN CCn1c(C=O)ccc1C=O 39062079 167798624 /nfs/dbraw/zinc/79/86/24/167798624.db2.gz RPUHOJDMZHTATH-UHFFFAOYSA-N 0 0 151.165 1.133 10 0 ADAERN CCn1cc(-c2ccc(N)cc2)nn1 75578694 167798787 /nfs/dbraw/zinc/79/87/87/167798787.db2.gz OUTBFHSRDZLMCP-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCn1cc(C[C@@H](O)CC(C)C)cn1 50542046 167799058 /nfs/dbraw/zinc/79/90/58/167799058.db2.gz SMVDBKSJRBLGCI-NSHDSACASA-N 0 0 196.294 1.853 10 0 ADAERN CCn1cc(CN2CC(F)C2)cn1 307707052 167799190 /nfs/dbraw/zinc/79/91/90/167799190.db2.gz YNBNKDZANWIYAG-UHFFFAOYSA-N 0 0 183.230 1.057 10 0 ADAERN CCn1cc(C[C@H](C)C(C)=O)cn1 50540475 167799307 /nfs/dbraw/zinc/79/93/07/167799307.db2.gz HFINDMDQKMDLOP-QMMMGPOBSA-N 0 0 180.251 1.671 10 0 ADAERN CCn1cc(C(O)(CC)CC)cn1 43467523 167799425 /nfs/dbraw/zinc/79/94/25/167799425.db2.gz IBLCKXNWIAYDCI-UHFFFAOYSA-N 0 0 182.267 1.911 10 0 ADAERN CCn1cc(N)cc1C(=O)OC(C)C 41086438 167799670 /nfs/dbraw/zinc/79/96/70/167799670.db2.gz IQOOSNUQFVPPFP-UHFFFAOYSA-N 0 0 196.250 1.655 10 0 ADAERN CCn1cc(CC(=O)CCOC)cn1 50541886 167799831 /nfs/dbraw/zinc/79/98/31/167799831.db2.gz NHAGKVQNLKFUEA-UHFFFAOYSA-N 0 0 196.250 1.051 10 0 ADAERN CCn1cc(NC(C)C)ccc1=O 37773698 167800124 /nfs/dbraw/zinc/80/01/24/167800124.db2.gz OZTSBTGDGXNNAM-UHFFFAOYSA-N 0 0 180.251 1.689 10 0 ADAERN CCn1cc(CC[C@@H](O)C(C)C)cn1 50543704 167800222 /nfs/dbraw/zinc/80/02/22/167800222.db2.gz WPARJHMPCPSOHV-LLVKDONJSA-N 0 0 196.294 1.853 10 0 ADAERN CCn1cc(C[C@@](C)(O)CC)cn1 50541486 167800788 /nfs/dbraw/zinc/80/07/88/167800788.db2.gz YKSDVQCNGUPYJC-JTQLQIEISA-N 0 0 182.267 1.607 10 0 ADAERN CCn1cc([C@@H](O)CC(C)C)cn1 43468490 167801749 /nfs/dbraw/zinc/80/17/49/167801749.db2.gz MLTYPNCFTSMDEM-JTQLQIEISA-N 0 0 182.267 1.983 10 0 ADAERN CCn1cc(NC[C@@H]2CCOC2)cn1 35780337 167801778 /nfs/dbraw/zinc/80/17/78/167801778.db2.gz BFKVCKKUFOLJRJ-VIFPVBQESA-N 0 0 195.266 1.351 10 0 ADAERN CCn1cc([C@H](O)C(C)(C)C)cn1 43468579 167802041 /nfs/dbraw/zinc/80/20/41/167802041.db2.gz DTRPOOOMYGRJFU-VIFPVBQESA-N 0 0 182.267 1.983 10 0 ADAERN CCn1cc([C@@H](O)C(C)C)cn1 43468506 167802449 /nfs/dbraw/zinc/80/24/49/167802449.db2.gz YMAWTNORBGFVHL-VIFPVBQESA-N 0 0 168.240 1.592 10 0 ADAERN CCn1cc([C@](C)(O)CC)cn1 43467517 167802669 /nfs/dbraw/zinc/80/26/69/167802669.db2.gz FWEGVGGDGFRRSO-SECBINFHSA-N 0 0 168.240 1.521 10 0 ADAERN CCn1cc(NC2=NCCS2)cn1 35781889 167802790 /nfs/dbraw/zinc/80/27/90/167802790.db2.gz BLPAUBNEPJZBFD-UHFFFAOYSA-N 0 0 196.279 1.418 10 0 ADAERN CCn1cc([C@](C)(O)C(C)C)cn1 43467527 167802792 /nfs/dbraw/zinc/80/27/92/167802792.db2.gz NGXFAUZCYXLTKA-SNVBAGLBSA-N 0 0 182.267 1.767 10 0 ADAERN CCn1cc2ncnc(Cl)c2n1 90459465 167803325 /nfs/dbraw/zinc/80/33/25/167803325.db2.gz MGVBZJVFTKICOB-UHFFFAOYSA-N 0 0 182.614 1.500 10 0 ADAERN CCn1cc([C@@](C)(O)CCOC)cn1 45019583 167803562 /nfs/dbraw/zinc/80/35/62/167803562.db2.gz VBPBNHDUUXHWNZ-JTQLQIEISA-N 0 0 198.266 1.147 10 0 ADAERN CCN1C=CC(=O)C1C 100248454 167803656 /nfs/dbraw/zinc/80/36/56/167803656.db2.gz ITDIOEDLPYGFTE-UHFFFAOYSA-N 0 0 125.171 1.522 10 0 ADAERN CCn1cc([C@H](O)C2CC2)cn1 43468563 167803660 /nfs/dbraw/zinc/80/36/60/167803660.db2.gz SUBVYMMDLAIJPC-SECBINFHSA-N 0 0 166.224 1.346 10 0 ADAERN CCn1cc[nH+]c1N[C@H](C)CC(=O)[O-] 50607609 167804234 /nfs/dbraw/zinc/80/42/34/167804234.db2.gz XTKDNXPKVFOVAV-SSDOTTSWSA-N 0 0 197.238 1.178 10 0 ADAERN CCn1cccc1C(N)=S 33878659 167804299 /nfs/dbraw/zinc/80/42/99/167804299.db2.gz KHRNOOSECHSVSN-UHFFFAOYSA-N 0 0 154.238 1.142 10 0 ADAERN CCn1ccc2c1CCC[C@@H]2O 41712442 167804498 /nfs/dbraw/zinc/80/44/98/167804498.db2.gz DAZMOQZAMLCVIK-JTQLQIEISA-N 0 0 165.236 1.878 10 0 ADAERN CCn1ccnc1C(=O)C(F)(F)F 70184919 167804569 /nfs/dbraw/zinc/80/45/69/167804569.db2.gz YPZRNEAFWCWBLY-UHFFFAOYSA-N 0 0 192.140 1.648 10 0 ADAERN CCn1cccc(C)c1=O 39253463 167804656 /nfs/dbraw/zinc/80/46/56/167804656.db2.gz KDGXHQLULIPHCU-UHFFFAOYSA-N 0 0 137.182 1.177 10 0 ADAERN CCn1ccnc1C(=O)c1ccoc1 41048410 167804917 /nfs/dbraw/zinc/80/49/17/167804917.db2.gz WWQWICWINWGUML-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN CCn1ccnc(NC(C)C)c1=O 61761969 167805079 /nfs/dbraw/zinc/80/50/79/167805079.db2.gz NUSFUJWHVXBITA-UHFFFAOYSA-N 0 0 181.239 1.084 10 0 ADAERN CCn1ccnc1CN1C[C@@H](C)[C@@H]1C 336443732 167805095 /nfs/dbraw/zinc/80/50/95/167805095.db2.gz MTQYOCBKUNGNBI-ZJUUUORDSA-N 0 0 193.294 1.743 10 0 ADAERN CCn1ccnc1NC(=O)C1(C)CC1 334826386 167805193 /nfs/dbraw/zinc/80/51/93/167805193.db2.gz BWOUWALAPWYLPF-UHFFFAOYSA-N 0 0 193.250 1.642 10 0 ADAERN CCn1ccnc1C(C)(C)O 69030937 167805258 /nfs/dbraw/zinc/80/52/58/167805258.db2.gz XOHFVGNSBCXNFL-UHFFFAOYSA-N 0 0 154.213 1.130 10 0 ADAERN CCn1ccnc(N[C@H]2C[C@H]2C)c1=O 61766565 167805469 /nfs/dbraw/zinc/80/54/69/167805469.db2.gz NGGNMYBXJBYHJW-SFYZADRCSA-N 0 0 193.250 1.084 10 0 ADAERN 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ADAERN CN(C)c1ccc(N=O)c(C=O)c1 6396073 167855992 /nfs/dbraw/zinc/85/59/92/167855992.db2.gz NMHUSOZQBJFXLI-UHFFFAOYSA-N 0 0 178.191 1.963 10 0 ADAERN CN(C)c1ccc2[nH]c(=O)sc2c1 45237223 167856075 /nfs/dbraw/zinc/85/60/75/167856075.db2.gz KKQDJOUTDGSIKF-UHFFFAOYSA-N 0 0 194.259 1.656 10 0 ADAERN CN(C)c1ccc(CCO)cc1F 44380941 167856588 /nfs/dbraw/zinc/85/65/88/167856588.db2.gz XMRSKEBDAJHMQN-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN CN(C)c1ccc(CC(N)=S)cc1 57900260 167856982 /nfs/dbraw/zinc/85/69/82/167856982.db2.gz VEHCBMUQAVYHPQ-UHFFFAOYSA-N 0 0 194.303 1.581 10 0 ADAERN CN(C)C1=CCC(=O)O1 31228 167857093 /nfs/dbraw/zinc/85/70/93/167857093.db2.gz OTWXRTWEVBAXBD-UHFFFAOYSA-N 0 0 127.143 1.051 10 0 ADAERN CN(C)c1ccc(Cl)c(N)c1 32006606 167857106 /nfs/dbraw/zinc/85/71/06/167857106.db2.gz KEBBZEWMOJLMLX-UHFFFAOYSA-N 0 0 170.643 1.988 10 0 ADAERN CN(C)c1ccc(N(C)C)c(O)c1 34049727 167857286 /nfs/dbraw/zinc/85/72/86/167857286.db2.gz ZWMYMCAYWAKQMY-UHFFFAOYSA-N 0 0 180.251 1.524 10 0 ADAERN 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/nfs/dbraw/zinc/96/60/93/167966093.db2.gz HTOWPBDNEAHSJK-UHFFFAOYSA-N 0 0 191.234 1.710 10 0 ADAERN CNC(=O)Nc1cncc(Cl)c1C 334974115 167966156 /nfs/dbraw/zinc/96/61/56/167966156.db2.gz HTINCJGQLOWIKX-UHFFFAOYSA-N 0 0 199.641 1.795 10 0 ADAERN CNC(=O)Nc1ccc(NC)cc1 62796858 167966188 /nfs/dbraw/zinc/96/61/88/167966188.db2.gz RFWWTXQTRACUCQ-UHFFFAOYSA-N 0 0 179.223 1.480 10 0 ADAERN CNC(=O)Oc1ccc2c(c1)CCN2 89209713 167966197 /nfs/dbraw/zinc/96/61/97/167966197.db2.gz FQMWBHHQALMDPJ-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN CNC(=O)N[C@H](C)c1csc(C)n1 307756369 167966213 /nfs/dbraw/zinc/96/62/13/167966213.db2.gz HVMMLNGEMQLZBR-RXMQYKEDSA-N 0 0 199.279 1.442 10 0 ADAERN CNC(=O)Nc1cccc2c1OCO2 335237828 167966379 /nfs/dbraw/zinc/96/63/79/167966379.db2.gz BZEFLRPUJVTFRT-UHFFFAOYSA-N 0 0 194.190 1.167 10 0 ADAERN CNC(=O)Nc1cn(C)nc1C1CC1 336398158 167966383 /nfs/dbraw/zinc/96/63/83/167966383.db2.gz CAZFRVYOIGTRAV-UHFFFAOYSA-N 0 0 194.238 1.049 10 0 ADAERN CNC(=O)Nc1ccc(C(C)=O)cc1 41636229 167966514 /nfs/dbraw/zinc/96/65/14/167966514.db2.gz BHSCNDDLBYLWIN-UHFFFAOYSA-N 0 0 192.218 1.641 10 0 ADAERN CNC(=O)[C@@H](C)C1CCC1 335123966 167967034 /nfs/dbraw/zinc/96/70/34/167967034.db2.gz FZJVWYUDZYFKAP-LURJTMIESA-N 0 0 141.214 1.169 10 0 ADAERN CNC(=O)Oc1cccc2c1OCC2 2037595 167967042 /nfs/dbraw/zinc/96/70/42/167967042.db2.gz KZSIVIPKLYWTDQ-UHFFFAOYSA-N 0 0 193.202 1.340 10 0 ADAERN CNC(=O)[C@@H](C)Nc1ccccc1 20307404 167967254 /nfs/dbraw/zinc/96/72/54/167967254.db2.gz WRWOOWLKXKHWQV-MRVPVSSYSA-N 0 0 178.235 1.233 10 0 ADAERN CNC(=O)Oc1ccccc1C 2004384 167967259 /nfs/dbraw/zinc/96/72/59/167967259.db2.gz JDIMVGGWYBWUIS-UHFFFAOYSA-N 0 0 165.192 1.713 10 0 ADAERN CNC(=O)[C@@H](C)Nc1ccc(C)cc1 20307621 167967329 /nfs/dbraw/zinc/96/73/29/167967329.db2.gz RJNHHFMDEUNYES-SECBINFHSA-N 0 0 192.262 1.541 10 0 ADAERN CNC(=O)Oc1ccccc1O 5700458 167968307 /nfs/dbraw/zinc/96/83/07/167968307.db2.gz CEHPRGMPLPBMLL-UHFFFAOYSA-N 0 0 167.164 1.110 10 0 ADAERN CNC(=O)[C@@H](C)Nc1ccccc1C 20306567 167968373 /nfs/dbraw/zinc/96/83/73/167968373.db2.gz BHFWITSLZPWTMS-SECBINFHSA-N 0 0 192.262 1.541 10 0 ADAERN CNC(=O)[C@@H](C)C(C)C 38409848 167968564 /nfs/dbraw/zinc/96/85/64/167968564.db2.gz BDVHVHJDMDYWPR-LURJTMIESA-N 0 0 129.203 1.025 10 0 ADAERN CNC(=O)[C@@H](C)Nc1cccc(C)c1 20307440 167968658 /nfs/dbraw/zinc/96/86/58/167968658.db2.gz UKYCSPCEPHJOLO-SECBINFHSA-N 0 0 192.262 1.541 10 0 ADAERN CNC(=O)[C@@H]1CCCCC1(C)C 226622757 167969038 /nfs/dbraw/zinc/96/90/38/167969038.db2.gz ZDFIECYHVPPLOK-QMMMGPOBSA-N 0 0 169.268 1.949 10 0 ADAERN CNC(=O)[C@@H]1CCC[C@@H]1C 230169188 167969142 /nfs/dbraw/zinc/96/91/42/167969142.db2.gz HNGMSJRHYPOWFR-NKWVEPMBSA-N 0 0 141.214 1.169 10 0 ADAERN CNC(=O)[C@@H]1CCc2ccccc2N1 19519406 167969194 /nfs/dbraw/zinc/96/91/94/167969194.db2.gz JOYDOKNHYUNMJI-JTQLQIEISA-N 0 0 190.246 1.159 10 0 ADAERN CNC(=O)[C@@H]1CC2CCC1CC2 307687449 167969345 /nfs/dbraw/zinc/96/93/45/167969345.db2.gz DWUDRICUPCNUHZ-AMDVSUOASA-N 0 0 167.252 1.559 10 0 ADAERN CNC(=O)[C@@H]1CCCC(C)(C)C1 307049624 167969375 /nfs/dbraw/zinc/96/93/75/167969375.db2.gz GVSPAIDBFSEVBD-MRVPVSSYSA-N 0 0 169.268 1.949 10 0 ADAERN CNC(=O)[C@@H]1CCC[C@H](C)C1 39140653 167969508 /nfs/dbraw/zinc/96/95/08/167969508.db2.gz FHPJIMGZCDJNBX-JGVFFNPUSA-N 0 0 155.241 1.559 10 0 ADAERN CNC(=O)[C@@H]1CCC[C@@H](C)C1 39140652 167969564 /nfs/dbraw/zinc/96/95/64/167969564.db2.gz FHPJIMGZCDJNBX-HTQZYQBOSA-N 0 0 155.241 1.559 10 0 ADAERN CNC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 336281850 167969886 /nfs/dbraw/zinc/96/98/86/167969886.db2.gz LPRYRCZDRZABAF-GXSJLCMTSA-N 0 0 193.221 1.617 10 0 ADAERN CNC(=O)[C@@]1(C)CC=C1C 39063804 167970103 /nfs/dbraw/zinc/97/01/03/167970103.db2.gz AUJKDOLPYSUKCW-QMMMGPOBSA-N 0 0 139.198 1.089 10 0 ADAERN CNC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 306339182 167970375 /nfs/dbraw/zinc/97/03/75/167970375.db2.gz VOSKQHYSMZDDNN-SRSLHRDFSA-N 0 0 153.225 1.169 10 0 ADAERN CNC(=O)[C@H](C)Cc1cccc(F)c1 334182654 167970597 /nfs/dbraw/zinc/97/05/97/167970597.db2.gz GALVIWFYZMQVNS-MRVPVSSYSA-N 0 0 195.237 1.750 10 0 ADAERN CNC(=O)[C@@H](O)c1ccc(C)cc1C 57488949 167970605 /nfs/dbraw/zinc/97/06/05/167970605.db2.gz LYEZQRWJDSAGOI-JTQLQIEISA-N 0 0 193.246 1.083 10 0 ADAERN CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 334227232 167970737 /nfs/dbraw/zinc/97/07/37/167970737.db2.gz FKYSKQAZSIAOOV-NXEZZACHSA-N 0 0 193.221 1.675 10 0 ADAERN CNC(=O)[C@@H]1CCCC[C@H]1C1CC1 335507176 167970937 /nfs/dbraw/zinc/97/09/37/167970937.db2.gz JFQXIACWFIYTMM-VHSXEESVSA-N 0 0 181.279 1.949 10 0 ADAERN CNC(=O)[C@H]1CC12CCCC2 307515177 167971278 /nfs/dbraw/zinc/97/12/78/167971278.db2.gz DSAJZOFHUBLQMC-SSDOTTSWSA-N 0 0 153.225 1.313 10 0 ADAERN CNC(=O)[C@H](O)c1cc(C)ccc1C 77277847 167971603 /nfs/dbraw/zinc/97/16/03/167971603.db2.gz UQZUUURBKMTRGB-SNVBAGLBSA-N 0 0 193.246 1.083 10 0 ADAERN CNC(=O)[C@H](c1cccnc1)C(C)C 336154705 167972120 /nfs/dbraw/zinc/97/21/20/167972120.db2.gz HEKCHJKWHVEAAH-JTQLQIEISA-N 0 0 192.262 1.567 10 0 ADAERN CNC(=O)[C@H](C)Nc1ccccc1C 20306568 167972235 /nfs/dbraw/zinc/97/22/35/167972235.db2.gz BHFWITSLZPWTMS-VIFPVBQESA-N 0 0 192.262 1.541 10 0 ADAERN CNC(=O)[C@H](C)c1cccs1 307659077 167972255 /nfs/dbraw/zinc/97/22/55/167972255.db2.gz CHTPGAVZGKXOOH-ZCFIWIBFSA-N 0 0 169.249 1.598 10 0 ADAERN CNC(=O)[C@H]1CCCCC1(F)F 306183195 167972315 /nfs/dbraw/zinc/97/23/15/167972315.db2.gz AIMCFTLXOZMMEV-ZCFIWIBFSA-N 0 0 177.194 1.558 10 0 ADAERN CNC(=O)[C@H](C)Nc1cccc(C)c1 20307442 167972435 /nfs/dbraw/zinc/97/24/35/167972435.db2.gz UKYCSPCEPHJOLO-VIFPVBQESA-N 0 0 192.262 1.541 10 0 ADAERN CNC(=O)[C@H]1CCC[C@@H](F)C1 335496879 167973399 /nfs/dbraw/zinc/97/33/99/167973399.db2.gz SZVVVNIMWKGSRK-NKWVEPMBSA-N 0 0 159.204 1.261 10 0 ADAERN CNC(=O)c1c(F)cccc1SC 306199818 167973410 /nfs/dbraw/zinc/97/34/10/167973410.db2.gz ACEKMNJACDJULZ-UHFFFAOYSA-N 0 0 199.250 1.907 10 0 ADAERN CNC(=O)c1c(C(C)C)csc1N 104423139 167973515 /nfs/dbraw/zinc/97/35/15/167973515.db2.gz GJBISMOLLQITQZ-UHFFFAOYSA-N 0 0 198.291 1.813 10 0 ADAERN CNC(=O)[C@H]1CCC[C@H]1C 219526472 167973939 /nfs/dbraw/zinc/97/39/39/167973939.db2.gz HNGMSJRHYPOWFR-RQJHMYQMSA-N 0 0 141.214 1.169 10 0 ADAERN CNC(=O)[C@H]1CCC[C@H](C)C1 39140650 167974056 /nfs/dbraw/zinc/97/40/56/167974056.db2.gz FHPJIMGZCDJNBX-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN CNC(=O)c1c[nH]c2cc(F)ccc12 334719715 167974669 /nfs/dbraw/zinc/97/46/69/167974669.db2.gz YNZDISVJLNLWDX-UHFFFAOYSA-N 0 0 192.193 1.667 10 0 ADAERN CNC(=O)[C@H]1CCC[C@@H](C)C1 39140648 167974849 /nfs/dbraw/zinc/97/48/49/167974849.db2.gz FHPJIMGZCDJNBX-SFYZADRCSA-N 0 0 155.241 1.559 10 0 ADAERN CNC(=O)c1cccc(O)c1C 95721531 167975251 /nfs/dbraw/zinc/97/52/51/167975251.db2.gz YOQUNXVZAPHUBJ-UHFFFAOYSA-N 0 0 165.192 1.060 10 0 ADAERN CNC(=O)c1cc2c(F)cccc2[nH]1 336512969 167975274 /nfs/dbraw/zinc/97/52/74/167975274.db2.gz HEXWNFMBTMDKIL-UHFFFAOYSA-N 0 0 192.193 1.667 10 0 ADAERN CNC(=O)c1ccccc1N(C)C 75852466 167975684 /nfs/dbraw/zinc/97/56/84/167975684.db2.gz HJTQPAIJEZLABN-UHFFFAOYSA-N 0 0 178.235 1.112 10 0 ADAERN CNC(=O)c1cc(O)cc(SC)c1 95712181 167976055 /nfs/dbraw/zinc/97/60/55/167976055.db2.gz YQJRMIGEECACLJ-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN CNC(=O)c1ccc(O)c(SC)c1 95723210 167976110 /nfs/dbraw/zinc/97/61/10/167976110.db2.gz WHTYDQHBVZRUNQ-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN CNC(=O)c1ccc(NC(C)C)cc1 35036746 167976155 /nfs/dbraw/zinc/97/61/55/167976155.db2.gz KWGOFKCJQGMMTD-UHFFFAOYSA-N 0 0 192.262 1.867 10 0 ADAERN CNC(=O)c1cc[nH]c1C1CC1 307705166 167976226 /nfs/dbraw/zinc/97/62/26/167976226.db2.gz YAWLLWIOGYGAEV-UHFFFAOYSA-N 0 0 164.208 1.252 10 0 ADAERN CNC(=O)c1ccc2c(ccn2C)c1 64551701 167976338 /nfs/dbraw/zinc/97/63/38/167976338.db2.gz SDYBIYUDMDJQCS-UHFFFAOYSA-N 0 0 188.230 1.538 10 0 ADAERN CNC(=O)c1ccc(C(C)C)c(O)c1 95712262 167976422 /nfs/dbraw/zinc/97/64/22/167976422.db2.gz RNRAGHXCVORIEU-UHFFFAOYSA-N 0 0 193.246 1.875 10 0 ADAERN CNC(=O)c1cc2c(s1)CCOC2 306497181 167976426 /nfs/dbraw/zinc/97/64/26/167976426.db2.gz ADGKJVONNIGLLT-UHFFFAOYSA-N 0 0 197.259 1.180 10 0 ADAERN CNC(=O)c1cc(NC2CC2)ccn1 35121925 167976574 /nfs/dbraw/zinc/97/65/74/167976574.db2.gz WPEZMSPIPVUHKJ-UHFFFAOYSA-N 0 0 191.234 1.016 10 0 ADAERN CNC(=O)c1nc(NC)ccc1Cl 50725865 167977130 /nfs/dbraw/zinc/97/71/30/167977130.db2.gz HUVXHRHBKMQXOX-UHFFFAOYSA-N 0 0 199.641 1.136 10 0 ADAERN CNC(=O)c1nc(C)sc1C 169917178 167977342 /nfs/dbraw/zinc/97/73/42/167977342.db2.gz YEHPCOJIIQWMFR-UHFFFAOYSA-N 0 0 170.237 1.120 10 0 ADAERN CNC(=O)c1ccsc1C 39064973 167977345 /nfs/dbraw/zinc/97/73/45/167977345.db2.gz DIEOWEIUSNPFIR-UHFFFAOYSA-N 0 0 155.222 1.416 10 0 ADAERN CNC(=O)c1oc(CC(C)C)nc1C 335779455 167977410 /nfs/dbraw/zinc/97/74/10/167977410.db2.gz UPHPNACXUIARHJ-UHFFFAOYSA-N 0 0 196.250 1.541 10 0 ADAERN CNC(=O)c1ccnc2ccccc12 34120233 167977423 /nfs/dbraw/zinc/97/74/23/167977423.db2.gz IFDWCRYLTTWCCU-UHFFFAOYSA-N 0 0 186.214 1.594 10 0 ADAERN CNC(=O)c1ccccc1OC1CC1 95726121 167977517 /nfs/dbraw/zinc/97/75/17/167977517.db2.gz DEYRGALXDCCZBA-UHFFFAOYSA-N 0 0 191.230 1.587 10 0 ADAERN CNC(=O)c1nc2ccccc2o1 75852508 167977766 /nfs/dbraw/zinc/97/77/66/167977766.db2.gz SQWFHYAUYPEYRT-UHFFFAOYSA-N 0 0 176.175 1.187 10 0 ADAERN CNC(=O)c1oc(C2CC2)nc1C 306333746 167977865 /nfs/dbraw/zinc/97/78/65/167977865.db2.gz DYGAVCCCQSFQCA-UHFFFAOYSA-N 0 0 180.207 1.220 10 0 ADAERN CNC(=O)c1sc(C)cc1OC 307675790 167977911 /nfs/dbraw/zinc/97/79/11/167977911.db2.gz GBABSUPWSUEDAO-UHFFFAOYSA-N 0 0 185.248 1.425 10 0 ADAERN CNC(=O)c1scnc1C(C)C 336237107 167977964 /nfs/dbraw/zinc/97/79/64/167977964.db2.gz FNWLLMGMBUYZGV-UHFFFAOYSA-N 0 0 184.264 1.626 10 0 ADAERN CNC(=O)c1cnc2ccsc2c1 307324512 167978047 /nfs/dbraw/zinc/97/80/47/167978047.db2.gz DSHABBRXLAIFKY-UHFFFAOYSA-N 0 0 192.243 1.656 10 0 ADAERN CNC(=O)c1cccnc1C1CC1 307606771 167978200 /nfs/dbraw/zinc/97/82/00/167978200.db2.gz DSNHZUDNGGMYIY-UHFFFAOYSA-N 0 0 176.219 1.319 10 0 ADAERN CNC(=S)c1ccc(C)s1 205214346 167978975 /nfs/dbraw/zinc/97/89/75/167978975.db2.gz VTISFVISTUMTLE-UHFFFAOYSA-N 0 0 171.290 1.951 10 0 ADAERN CNC(=S)N1[C@@H](C)CCC[C@@H]1C 13826913 167979281 /nfs/dbraw/zinc/97/92/81/167979281.db2.gz PQKVWFRTDDBVPY-YUMQZZPRSA-N 0 0 186.324 1.754 10 0 ADAERN CNC(=S)N[C@H](C)C(C)(C)C 13933792 167979390 /nfs/dbraw/zinc/97/93/90/167979390.db2.gz MLSSULOLLLZMHE-ZCFIWIBFSA-N 0 0 174.313 1.515 10 0 ADAERN CNC(=S)c1cccs1 33845793 167979761 /nfs/dbraw/zinc/97/97/61/167979761.db2.gz VEZWEIFPWWYNBE-UHFFFAOYSA-N 0 0 157.263 1.643 10 0 ADAERN CNC(=S)c1ccc(OC)cc1 75856518 167979837 /nfs/dbraw/zinc/97/98/37/167979837.db2.gz WYAJRTAZSVBXAD-UHFFFAOYSA-N 0 0 181.260 1.590 10 0 ADAERN C[NH2+]C[C@H](CC(=O)[O-])CC(C)C 22063682 168010732 /nfs/dbraw/zinc/01/07/32/168010732.db2.gz MADUVMLGQASXOK-QMMMGPOBSA-N 0 0 173.256 1.343 10 0 in-vitro ADAERN CNCc1nc(CCC(C)C)no1 43373958 168022453 /nfs/dbraw/zinc/02/24/53/168022453.db2.gz SWDKNWCGANDXQX-UHFFFAOYSA-N 0 0 183.255 1.378 10 0 ADAERN CNCc1nc(C)nc(C(C)C)n1 82529643 168022924 /nfs/dbraw/zinc/02/29/24/168022924.db2.gz PTNFXFJRTARASY-UHFFFAOYSA-N 0 0 180.255 1.023 10 0 ADAERN CNCc1ncc(CC(C)C)o1 77262828 168023027 /nfs/dbraw/zinc/02/30/27/168023027.db2.gz ZGNRZTOEDYAPQY-UHFFFAOYSA-N 0 0 168.240 1.593 10 0 ADAERN CNCc1nnc(C(C)(C)C)o1 26442854 168024469 /nfs/dbraw/zinc/02/44/69/168024469.db2.gz BLXMNNGHBCKDFX-UHFFFAOYSA-N 0 0 169.228 1.087 10 0 ADAERN CNCc1nnc(C2CCCC2)o1 50615473 168024722 /nfs/dbraw/zinc/02/47/22/168024722.db2.gz SUCXTEBWQBGZFK-UHFFFAOYSA-N 0 0 181.239 1.447 10 0 ADAERN CNNCCCc1ccccc1 19168074 168024755 /nfs/dbraw/zinc/02/47/55/168024755.db2.gz HMZAEWFSQJICHZ-UHFFFAOYSA-N 0 0 164.252 1.343 10 0 ADAERN CNCc1noc(CCC(C)C)n1 51848737 168025443 /nfs/dbraw/zinc/02/54/43/168025443.db2.gz ILEJYNRDKJEEKK-UHFFFAOYSA-N 0 0 183.255 1.378 10 0 ADAERN CNCc1nnc(CC2CCCC2)o1 50615393 168025608 /nfs/dbraw/zinc/02/56/08/168025608.db2.gz FIBJTINJKUDPKV-UHFFFAOYSA-N 0 0 195.266 1.522 10 0 ADAERN CNCc1noc([C@H]2CCCCO2)n1 51848423 168025785 /nfs/dbraw/zinc/02/57/85/168025785.db2.gz QBVGFRLNKJQGKA-SSDOTTSWSA-N 0 0 197.238 1.031 10 0 ADAERN CNCc1nnc([C@@H]2CCCCO2)o1 50973785 168025852 /nfs/dbraw/zinc/02/58/52/168025852.db2.gz QHPWFZYJZREJTL-ZETCQYMHSA-N 0 0 197.238 1.031 10 0 ADAERN CNCc1nnc(CCC(C)C)o1 50615430 168026081 /nfs/dbraw/zinc/02/60/81/168026081.db2.gz NZWHWPPUHIAWPW-UHFFFAOYSA-N 0 0 183.255 1.378 10 0 ADAERN CNCc1noc([C@@H]2CCCCO2)n1 51848421 168026250 /nfs/dbraw/zinc/02/62/50/168026250.db2.gz QBVGFRLNKJQGKA-ZETCQYMHSA-N 0 0 197.238 1.031 10 0 ADAERN CNCc1noc(CC2CCCC2)n1 51848484 168026313 /nfs/dbraw/zinc/02/63/13/168026313.db2.gz SIQMCGJXBCKWSZ-UHFFFAOYSA-N 0 0 195.266 1.522 10 0 ADAERN CNCc1noc(CC(C)(C)C)n1 51848490 168026344 /nfs/dbraw/zinc/02/63/44/168026344.db2.gz NVYCANSEGHKILM-UHFFFAOYSA-N 0 0 183.255 1.378 10 0 ADAERN CNN(C)c1ccccc1 5996451 168026530 /nfs/dbraw/zinc/02/65/30/168026530.db2.gz FTHKWZHJHBZURR-UHFFFAOYSA-N 0 0 136.198 1.257 10 0 ADAERN CNCc1nnc(CC(C)(C)C)o1 50615396 168026623 /nfs/dbraw/zinc/02/66/23/168026623.db2.gz KXLRXXBGXRICJF-UHFFFAOYSA-N 0 0 183.255 1.378 10 0 ADAERN CNOCc1ccc(OC)cc1 86863251 168026983 /nfs/dbraw/zinc/02/69/83/168026983.db2.gz XBYSKHUKTPRTQT-UHFFFAOYSA-N 0 0 167.208 1.346 10 0 ADAERN CNCc1nnc([C@H]2CCCCO2)o1 50973786 168027021 /nfs/dbraw/zinc/02/70/21/168027021.db2.gz QHPWFZYJZREJTL-SSDOTTSWSA-N 0 0 197.238 1.031 10 0 ADAERN CNCc1noc(-c2ccco2)n1 51848603 168027055 /nfs/dbraw/zinc/02/70/55/168027055.db2.gz VUQUOIBSRTWNKT-UHFFFAOYSA-N 0 0 179.179 1.049 10 0 ADAERN CNCc1nnc(C2CCC2)o1 50615419 168027117 /nfs/dbraw/zinc/02/71/17/168027117.db2.gz QLQKMXCBLHMMIZ-UHFFFAOYSA-N 0 0 167.212 1.057 10 0 ADAERN CNCc1noc(-c2ccoc2C)n1 51848659 168027284 /nfs/dbraw/zinc/02/72/84/168027284.db2.gz IUFNVSHMSLLVRK-UHFFFAOYSA-N 0 0 193.206 1.357 10 0 ADAERN CNCc1nnc(C2CCCCC2)o1 50615296 168027420 /nfs/dbraw/zinc/02/74/20/168027420.db2.gz JKZQVVPMRKJDAG-UHFFFAOYSA-N 0 0 195.266 1.837 10 0 ADAERN CNc1nccc(C)c1C(N)=S 135095971 343954902 /nfs/dbraw/zinc/95/49/02/343954902.db2.gz DHDMSIKYDVRFRP-UHFFFAOYSA-N 0 0 181.264 1.066 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1C 50579800 168027963 /nfs/dbraw/zinc/02/79/63/168027963.db2.gz ALIZAJUMDIRDBN-SECBINFHSA-N 0 0 197.209 1.479 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])[C@@H](C)c1ccccc1 41046434 168028053 /nfs/dbraw/zinc/02/80/53/168028053.db2.gz LKHVLAJOHKCAFY-WCBMZHEXSA-N 0 0 193.246 1.463 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1ccc(C)cc1C 37180937 168028124 /nfs/dbraw/zinc/02/81/24/168028124.db2.gz CJKLNHUODFGUIK-SNVBAGLBSA-N 0 0 193.246 1.649 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1cc(C)sc1C 49687646 168028300 /nfs/dbraw/zinc/02/83/00/168028300.db2.gz WROWUDDNKWMLLQ-MRVPVSSYSA-N 0 0 199.275 1.710 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])[C@H]1CC=CCC1 37181165 168028402 /nfs/dbraw/zinc/02/84/02/168028402.db2.gz JRFVXCZMJOJPRM-JGVFFNPUSA-N 0 0 169.224 1.015 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1cccc(C)c1F 76171357 168028444 /nfs/dbraw/zinc/02/84/44/168028444.db2.gz XHCCQMYBSYFJBV-SECBINFHSA-N 0 0 197.209 1.479 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])[C@@H]1CC=CCC1 37181169 168028474 /nfs/dbraw/zinc/02/84/74/168028474.db2.gz JRFVXCZMJOJPRM-HTQZYQBOSA-N 0 0 169.224 1.015 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])C1CCC(C)CC1 76630745 168028487 /nfs/dbraw/zinc/02/84/87/168028487.db2.gz QKJVPDVWIFIQCJ-AMDVSUOASA-N 0 0 185.267 1.485 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1cc(C)ccc1C 49670764 168028498 /nfs/dbraw/zinc/02/84/98/168028498.db2.gz PTXWTFWXDZPHLF-SNVBAGLBSA-N 0 0 193.246 1.649 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1cc(C)ccc1F 76171362 168028520 /nfs/dbraw/zinc/02/85/20/168028520.db2.gz JRBRCZVAFNKBQQ-SECBINFHSA-N 0 0 197.209 1.479 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])C1CCCCCC1 76630737 168028633 /nfs/dbraw/zinc/02/86/33/168028633.db2.gz WALUXUISAPIJLV-SECBINFHSA-N 0 0 185.267 1.629 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])[C@H](C)c1ccccc1 41046435 168028971 /nfs/dbraw/zinc/02/89/71/168028971.db2.gz LKHVLAJOHKCAFY-PSASIEDQSA-N 0 0 193.246 1.463 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])C1CCC(C)(C)CC1 76637871 168029135 /nfs/dbraw/zinc/02/91/35/168029135.db2.gz AXPYVIZRMCQAAO-SECBINFHSA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1c(C)cccc1C 76171590 168029220 /nfs/dbraw/zinc/02/92/20/168029220.db2.gz JHRXEBXVNCQJFY-SNVBAGLBSA-N 0 0 193.246 1.649 10 0 ADAERN CN[C@@H](C)C(=O)OC1CCCCC1 54070861 168029417 /nfs/dbraw/zinc/02/94/17/168029417.db2.gz ASZVSZPWEUZFBR-QMMMGPOBSA-N 0 0 185.267 1.470 10 0 ADAERN CN[C@@H](C(=O)OC)c1ccc(C)s1 41675781 168029625 /nfs/dbraw/zinc/02/96/25/168029625.db2.gz VWLDEGPAOXPYNL-MRVPVSSYSA-N 0 0 199.275 1.490 10 0 ADAERN CN[C@@H](C(=O)OC)c1ccc(C)cc1 95532740 168029682 /nfs/dbraw/zinc/02/96/82/168029682.db2.gz SJKIXWCAHUQGRT-SNVBAGLBSA-N 0 0 193.246 1.429 10 0 ADAERN CN[C@@H](C(N)=O)c1ccccc1Cl 37869956 168029782 /nfs/dbraw/zinc/02/97/82/168029782.db2.gz JYJJHFQKCGBIOG-MRVPVSSYSA-N 0 0 198.653 1.086 10 0 ADAERN CN[C@@H](C(=O)OC)[C@H]1CC=CCC1 37458506 168029794 /nfs/dbraw/zinc/02/97/94/168029794.db2.gz PTSOKNKCXYDGRJ-DTWKUNHWSA-N 0 0 183.251 1.104 10 0 ADAERN CN[C@@H](C(=O)OC)c1ccc(F)cc1 95619291 168030207 /nfs/dbraw/zinc/03/02/07/168030207.db2.gz APVBEQGQALEWTG-SECBINFHSA-N 0 0 197.209 1.259 10 0 ADAERN CN[C@@H](C(=O)OC)C1CCCCC1 37458386 168030347 /nfs/dbraw/zinc/03/03/47/168030347.db2.gz DCFBJPIZEHSJKI-SECBINFHSA-N 0 0 185.267 1.328 10 0 ADAERN CN[C@@H](C(=O)OC)c1sccc1C 41673720 168030382 /nfs/dbraw/zinc/03/03/82/168030382.db2.gz SWKIDUKGVQNMJW-SSDOTTSWSA-N 0 0 199.275 1.490 10 0 ADAERN CN[C@@H](C)C(=O)OC1CCC(C)CC1 54070890 168030442 /nfs/dbraw/zinc/03/04/42/168030442.db2.gz QEBCXEMGAVNACQ-KYHHOPLUSA-N 0 0 199.294 1.716 10 0 ADAERN CN[C@@H](C)C(=O)OC1CCCCCC1 54071005 168030460 /nfs/dbraw/zinc/03/04/60/168030460.db2.gz XMYOKYCTLJPCRG-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN CN[C@@H](C(=O)OC)c1cccs1 41672169 168030475 /nfs/dbraw/zinc/03/04/75/168030475.db2.gz WKNSISHNMPWWHI-SSDOTTSWSA-N 0 0 185.248 1.182 10 0 ADAERN CN[C@@H](C(=O)OC)[C@@H]1CC=CCC1 37458508 168031257 /nfs/dbraw/zinc/03/12/57/168031257.db2.gz PTSOKNKCXYDGRJ-RKDXNWHRSA-N 0 0 183.251 1.104 10 0 ADAERN CN[C@@H](C)C(=O)OC1CCCC1 54070865 168031281 /nfs/dbraw/zinc/03/12/81/168031281.db2.gz JIPIOMYXGROYEP-ZETCQYMHSA-N 0 0 171.240 1.080 10 0 ADAERN C[NH2+][C@@H](C(=O)[O-])c1sccc1C 41673665 168031359 /nfs/dbraw/zinc/03/13/59/168031359.db2.gz BBXWDEBOZBHQQX-ZCFIWIBFSA-N 0 0 185.248 1.402 10 0 ADAERN CN[C@@H](C(=O)OC)c1cccc(F)c1 37458366 168031405 /nfs/dbraw/zinc/03/14/05/168031405.db2.gz BBYNNNVDOWGFDJ-SECBINFHSA-N 0 0 197.209 1.259 10 0 ADAERN CN[C@@H](C(=O)OC)c1ccsc1 37458372 168031456 /nfs/dbraw/zinc/03/14/56/168031456.db2.gz FEPHXJQMNDBUHA-SSDOTTSWSA-N 0 0 185.248 1.182 10 0 ADAERN CN[C@@H](C(=O)OC)c1cccc(C)c1 95532758 168031565 /nfs/dbraw/zinc/03/15/65/168031565.db2.gz DTBNJAIZFPSZJD-SNVBAGLBSA-N 0 0 193.246 1.429 10 0 ADAERN CN[C@@H](C)c1nnc(CC2CC2)o1 50618587 168033988 /nfs/dbraw/zinc/03/39/88/168033988.db2.gz FEYXDHVTNCMXJU-LURJTMIESA-N 0 0 181.239 1.303 10 0 ADAERN CN[C@@H](C)c1nc(CSC)no1 54494078 168034025 /nfs/dbraw/zinc/03/40/25/168034025.db2.gz XGQMZBQMVJXLPE-YFKPBYRVSA-N 0 0 187.268 1.213 10 0 ADAERN CN[C@@H](C)c1csc(NC(C)=O)n1 76785002 168034034 /nfs/dbraw/zinc/03/40/34/168034034.db2.gz HABJKOFFCYJPMK-YFKPBYRVSA-N 0 0 199.279 1.382 10 0 ADAERN C[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 54069830 168034042 /nfs/dbraw/zinc/03/40/42/168034042.db2.gz AUAJXRCDTFPZRV-LURJTMIESA-N 0 0 168.244 1.209 10 0 ADAERN CN[C@@H](C)c1nnc([C@H]2CCCO2)o1 50618627 168034143 /nfs/dbraw/zinc/03/41/43/168034143.db2.gz SZNKTKBMZDVMSU-NKWVEPMBSA-N 0 0 197.238 1.202 10 0 ADAERN C[NH2+][C@@H](C)c1cnc(CN(C)C)s1 54159422 168034265 /nfs/dbraw/zinc/03/42/65/168034265.db2.gz WHPKWSVUBHSAIQ-ZETCQYMHSA-N 0 0 199.323 1.485 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C(=O)[O-])s1 22862845 168034281 /nfs/dbraw/zinc/03/42/81/168034281.db2.gz OUBAGBGFPAYIOW-YFKPBYRVSA-N 0 0 185.248 1.727 10 0 ADAERN CN[C@@H](C)c1nnc(C2CC2)o1 50618288 168034459 /nfs/dbraw/zinc/03/44/59/168034459.db2.gz QZPKKVVFBOLOPD-YFKPBYRVSA-N 0 0 167.212 1.227 10 0 ADAERN C[NH2+][C@@H](C)c1nc(C(=O)[O-])cs1 83341147 168035191 /nfs/dbraw/zinc/03/51/91/168035191.db2.gz BYGXCBIJVAQZEZ-BYPYZUCNSA-N 0 0 186.236 1.122 10 0 ADAERN C[NH2+][C@@H](C)c1nnc(C2CCCC2)[nH]1 54069849 168035316 /nfs/dbraw/zinc/03/53/16/168035316.db2.gz NJIOOEXPAQMPIC-ZETCQYMHSA-N 0 0 194.282 1.743 10 0 ADAERN C[NH2+][C@@H](C)c1cn2cccc(O)c2n1 76790366 168035390 /nfs/dbraw/zinc/03/53/90/168035390.db2.gz RYBYIDIJNMHJME-ZETCQYMHSA-N 0 0 191.234 1.320 10 0 ADAERN CN[C@@H](C)c1nnc(C(C)(C)C)o1 50618537 168035411 /nfs/dbraw/zinc/03/54/11/168035411.db2.gz GZIGXGMTTRSIGU-LURJTMIESA-N 0 0 183.255 1.648 10 0 ADAERN C[NH2+][C@@H](C)c1nc2cc(F)ccc2[nH]1 54052948 168035423 /nfs/dbraw/zinc/03/54/23/168035423.db2.gz FFALIYIXDYEZTP-LURJTMIESA-N 0 0 193.225 1.982 10 0 ADAERN CN[C@@H](C)c1nnc(C(C)C)o1 50618488 168035471 /nfs/dbraw/zinc/03/54/71/168035471.db2.gz BNNIAUYFAVPVJF-LURJTMIESA-N 0 0 169.228 1.473 10 0 ADAERN CN[C@@H](C)c1nnc([C@@H]2CCCO2)o1 50618625 168035536 /nfs/dbraw/zinc/03/55/36/168035536.db2.gz SZNKTKBMZDVMSU-BQBZGAKWSA-N 0 0 197.238 1.202 10 0 ADAERN CN[C@@H](C)c1nnc(C2CCC2)o1 50618495 168035561 /nfs/dbraw/zinc/03/55/61/168035561.db2.gz FTMRIGIRNHPHAI-LURJTMIESA-N 0 0 181.239 1.618 10 0 ADAERN C[NH2+][C@@H](CC(=O)[O-])CC(C)C 34049653 168037055 /nfs/dbraw/zinc/03/70/55/168037055.db2.gz IVVTXKJXLQQNQP-SSDOTTSWSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+][C@@H](CCC(=O)[O-])c1cccnc1 6228544 168037401 /nfs/dbraw/zinc/03/74/01/168037401.db2.gz WERGJLUDJRKXIV-VIFPVBQESA-N 0 0 194.234 1.207 10 0 in-vitro ADAERN C[NH2+][C@@H](CC(=O)[O-])C1CCCCC1 2511614 168037843 /nfs/dbraw/zinc/03/78/43/168037843.db2.gz YTQCQWJBIDLUGO-VIFPVBQESA-N 0 0 185.267 1.629 10 0 ADAERN CN[C@@H](COC)c1nccs1 45206245 168037899 /nfs/dbraw/zinc/03/78/99/168037899.db2.gz QETUYURJGTZSCR-LURJTMIESA-N 0 0 172.253 1.050 10 0 ADAERN CN[C@@H](c1nccs1)C(F)(F)F 82718544 168038072 /nfs/dbraw/zinc/03/80/72/168038072.db2.gz SFLHRZJEEPBOJL-BYPYZUCNSA-N 0 0 196.197 1.966 10 0 ADAERN CN[C@@H](c1cnn(C)c1)C(F)(F)F 35499985 168038091 /nfs/dbraw/zinc/03/80/91/168038091.db2.gz RFCAEDZKMZLHFW-LURJTMIESA-N 0 0 193.172 1.243 10 0 ADAERN CN[C@@H](c1cncnc1)C(F)(F)F 82718542 168038110 /nfs/dbraw/zinc/03/81/10/168038110.db2.gz PNLKUJKYTHHZBW-LURJTMIESA-N 0 0 191.156 1.299 10 0 ADAERN C[NH2+][C@@H]1C=C(C)[C@@](C)(C(=O)[O-])CC1 75576294 168038405 /nfs/dbraw/zinc/03/84/05/168038405.db2.gz YVPUXQQTVRKQPA-WPRPVWTQSA-N 0 0 183.251 1.405 10 0 ADAERN C[NH2+][C@@H]1C=C[C@@](C)(C(=O)[O-])CC1 75557794 168038424 /nfs/dbraw/zinc/03/84/24/168038424.db2.gz BLFKPXDZVZDOFV-VXNVDRBHSA-N 0 0 169.224 1.015 10 0 ADAERN CN[C@@H](c1ccccc1)c1ncccn1 37469160 168038476 /nfs/dbraw/zinc/03/84/76/168038476.db2.gz PGVSCFPFESOLDD-NSHDSACASA-N 0 0 199.257 1.785 10 0 ADAERN C[NH2+][C@@H]1C=C(C)[C@](C)(C(=O)[O-])CC1 75576292 168038743 /nfs/dbraw/zinc/03/87/43/168038743.db2.gz YVPUXQQTVRKQPA-WCBMZHEXSA-N 0 0 183.251 1.405 10 0 ADAERN CN[C@@H](c1cn[nH]c1)c1ccco1 62777224 168038820 /nfs/dbraw/zinc/03/88/20/168038820.db2.gz ACDRHFSVNYNZRF-VIFPVBQESA-N 0 0 177.207 1.312 10 0 ADAERN CN[C@@H](c1ccccc1)c1nnco1 50618028 168038892 /nfs/dbraw/zinc/03/88/92/168038892.db2.gz USMMIAVPNNKYAY-VIFPVBQESA-N 0 0 189.218 1.378 10 0 ADAERN CN[C@@H](c1ccoc1)c1nccn1C 41048645 168038924 /nfs/dbraw/zinc/03/89/24/168038924.db2.gz GITNFTHIRCPUJX-VIFPVBQESA-N 0 0 191.234 1.322 10 0 ADAERN CN[C@@H](c1cncnc1)c1ccco1 54455948 168039054 /nfs/dbraw/zinc/03/90/54/168039054.db2.gz AMWOHMSNHXTDFE-JTQLQIEISA-N 0 0 189.218 1.378 10 0 ADAERN C[NH2+][C@@H](Cc1cccc(F)c1)C(=O)[O-] 76169726 168039159 /nfs/dbraw/zinc/03/91/59/168039159.db2.gz ZRMVYUADMZBKGO-VIFPVBQESA-N 0 0 197.209 1.041 10 0 ADAERN CN[C@@H](c1ccco1)c1nccn1C 37184180 168039384 /nfs/dbraw/zinc/03/93/84/168039384.db2.gz GZKGIQDNHRFMJV-VIFPVBQESA-N 0 0 191.234 1.322 10 0 ADAERN CN[C@@H](c1cnn(C)c1)c1ccco1 35499911 168039784 /nfs/dbraw/zinc/03/97/84/168039784.db2.gz YRDROSOUWMHSHY-JTQLQIEISA-N 0 0 191.234 1.322 10 0 ADAERN C[NH2+][C@@H]1C=C[C@](C)(C(=O)[O-])CC1 75557798 168039940 /nfs/dbraw/zinc/03/99/40/168039940.db2.gz BLFKPXDZVZDOFV-APPZFPTMSA-N 0 0 169.224 1.015 10 0 ADAERN CN[C@@H]1C(=O)N(C)c2c(F)cccc21 105902873 168040014 /nfs/dbraw/zinc/04/00/14/168040014.db2.gz JALIAMCDMKSDBE-QMMMGPOBSA-N 0 0 194.209 1.063 10 0 ADAERN C[NH2+][C@@H]1CCCc2s[n-]c(=O)c21 13803374 168041131 /nfs/dbraw/zinc/04/11/31/168041131.db2.gz MHGVSGHXCCFMJC-RXMQYKEDSA-N 0 0 184.264 1.033 10 0 ADAERN CC[C@@H](CC(=O)[O-])[NH+]1CCCCC1 62749694 167502099 /nfs/dbraw/zinc/50/20/99/167502099.db2.gz RSJDMQBEIVWEIU-VIFPVBQESA-N 0 0 185.267 1.726 10 0 ADAERN CC[C@@H](CC(=O)[O-])[N@@H+]1CCC[C@@H]1C 62756443 167504166 /nfs/dbraw/zinc/50/41/66/167504166.db2.gz RWWMGRGYFHWBHW-IUCAKERBSA-N 0 0 185.267 1.724 10 0 ADAERN CN[C@@H]1OC(=O)c2ccccc21 59304980 168043824 /nfs/dbraw/zinc/04/38/24/168043824.db2.gz AEYOJVYWEWMNGJ-MRVPVSSYSA-N 0 0 163.176 1.075 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](C)C1 37180463 168044521 /nfs/dbraw/zinc/04/45/21/168044521.db2.gz JSKWTZZBQGPECO-APPZFPTMSA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@@](C)(CC(C)C)C(=O)[O-] 18678999 168044582 /nfs/dbraw/zinc/04/45/82/168044582.db2.gz HTTMEPIVBXJRSZ-QMMMGPOBSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+][C@@](C)(Cc1ccccc1)C(=O)[O-] 62173000 168044604 /nfs/dbraw/zinc/04/46/04/168044604.db2.gz JLWRYYFQBFFCFP-NSHDSACASA-N 0 0 193.246 1.292 10 0 ADAERN CN[C@@]1(C(=O)OC)CCCC[C@@H]1C 37447757 168044625 /nfs/dbraw/zinc/04/46/25/168044625.db2.gz IVWPHELDQZUVII-WPRPVWTQSA-N 0 0 185.267 1.328 10 0 ADAERN C[NH2+][C@@](C)(CCC(C)C)C(=O)[O-] 37180387 168044635 /nfs/dbraw/zinc/04/46/35/168044635.db2.gz BGTYJFCPXHGCMW-VIFPVBQESA-N 0 0 173.256 1.485 10 0 ADAERN C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1F 37180757 168044666 /nfs/dbraw/zinc/04/46/66/168044666.db2.gz UXWZKOXFZQWXFH-SNVBAGLBSA-N 0 0 197.209 1.345 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])C[C@@H](C)CC(C)(C)C1 37180773 168044764 /nfs/dbraw/zinc/04/47/64/168044764.db2.gz YPMWTLLRWIHLFJ-KWQFWETISA-N 0 0 199.294 1.875 10 0 ADAERN CN[C@@](C)(C(=O)OC)c1ccccc1 96298995 168044775 /nfs/dbraw/zinc/04/47/75/168044775.db2.gz CMNCNTVFYXHAQF-LLVKDONJSA-N 0 0 193.246 1.294 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])C[C@H](C)CC(C)(C)C1 37180771 168044868 /nfs/dbraw/zinc/04/48/68/168044868.db2.gz YPMWTLLRWIHLFJ-KCJUWKMLSA-N 0 0 199.294 1.875 10 0 ADAERN CN[C@@]1(C(=O)OC)CCC[C@H](C)C1 37447768 168045291 /nfs/dbraw/zinc/04/52/91/168045291.db2.gz FJRHRODBXKKQRL-WPRPVWTQSA-N 0 0 185.267 1.328 10 0 ADAERN CN[C@@]1(C(=O)OC)CCCC[C@H]1C 37447756 168045698 /nfs/dbraw/zinc/04/56/98/168045698.db2.gz IVWPHELDQZUVII-SCZZXKLOSA-N 0 0 185.267 1.328 10 0 ADAERN C[NH2+][C@@](C)(C(=O)[O-])c1cccc(C)c1 41046821 168045846 /nfs/dbraw/zinc/04/58/46/168045846.db2.gz UQYNLORLYSBESM-LLVKDONJSA-N 0 0 193.246 1.514 10 0 ADAERN CN[C@@]1(C(=O)OC)CCC[C@@H](C)C1 37447767 168045913 /nfs/dbraw/zinc/04/59/13/168045913.db2.gz FJRHRODBXKKQRL-SCZZXKLOSA-N 0 0 185.267 1.328 10 0 ADAERN C[NH2+][C@@](C)(CC(=O)[O-])C(C)C 17830531 168046116 /nfs/dbraw/zinc/04/61/16/168046116.db2.gz LPEPOMBEQMZCLQ-QMMMGPOBSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCCC[C@@H]1C 37180443 168046202 /nfs/dbraw/zinc/04/62/02/168046202.db2.gz WPNXGJIFSICBJE-CBAPKCEASA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCCC[C@H]1C 37180441 168046211 /nfs/dbraw/zinc/04/62/11/168046211.db2.gz WPNXGJIFSICBJE-APPZFPTMSA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCC[C@H](C)C1 37180465 168046283 /nfs/dbraw/zinc/04/62/83/168046283.db2.gz JSKWTZZBQGPECO-CBAPKCEASA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@@](C)(CCCSC)C(=O)[O-] 45595075 168046372 /nfs/dbraw/zinc/04/63/72/168046372.db2.gz MIVGBOJTLWGLHH-QMMMGPOBSA-N 0 0 191.296 1.192 10 0 ADAERN CN[C@H](C(=O)OC)c1ccc(C)cc1 95532739 168046536 /nfs/dbraw/zinc/04/65/36/168046536.db2.gz SJKIXWCAHUQGRT-JTQLQIEISA-N 0 0 193.246 1.429 10 0 ADAERN CN[C@H](C(=O)OC)c1sccc1C 41673717 168046634 /nfs/dbraw/zinc/04/66/34/168046634.db2.gz SWKIDUKGVQNMJW-ZETCQYMHSA-N 0 0 199.275 1.490 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1cc(C)ccc1C 49670763 168046730 /nfs/dbraw/zinc/04/67/30/168046730.db2.gz PTXWTFWXDZPHLF-JTQLQIEISA-N 0 0 193.246 1.649 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1ccc(C)cc1C 37180935 168046735 /nfs/dbraw/zinc/04/67/35/168046735.db2.gz CJKLNHUODFGUIK-JTQLQIEISA-N 0 0 193.246 1.649 10 0 ADAERN CN[C@H](C(=O)OC)c1cccc(C)c1 95532757 168046755 /nfs/dbraw/zinc/04/67/55/168046755.db2.gz DTBNJAIZFPSZJD-JTQLQIEISA-N 0 0 193.246 1.429 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1cc(C)ccc1F 76171359 168046789 /nfs/dbraw/zinc/04/67/89/168046789.db2.gz JRBRCZVAFNKBQQ-VIFPVBQESA-N 0 0 197.209 1.479 10 0 ADAERN CN[C@H](C(=O)OC)c1cccc(F)c1 37458365 168046793 /nfs/dbraw/zinc/04/67/93/168046793.db2.gz BBYNNNVDOWGFDJ-VIFPVBQESA-N 0 0 197.209 1.259 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@H]1CC=CCC1 37181163 168046845 /nfs/dbraw/zinc/04/68/45/168046845.db2.gz JRFVXCZMJOJPRM-YUMQZZPRSA-N 0 0 169.224 1.015 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1c(C)cccc1C 76171586 168046902 /nfs/dbraw/zinc/04/69/02/168046902.db2.gz JHRXEBXVNCQJFY-JTQLQIEISA-N 0 0 193.246 1.649 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1cc(C)sc1C 49687645 168047035 /nfs/dbraw/zinc/04/70/35/168047035.db2.gz WROWUDDNKWMLLQ-QMMMGPOBSA-N 0 0 199.275 1.710 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@@H]1CC=CCC1 37181167 168047134 /nfs/dbraw/zinc/04/71/34/168047134.db2.gz JRFVXCZMJOJPRM-SFYZADRCSA-N 0 0 169.224 1.015 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1C 50579796 168047136 /nfs/dbraw/zinc/04/71/36/168047136.db2.gz ALIZAJUMDIRDBN-VIFPVBQESA-N 0 0 197.209 1.479 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])C1CCCCCC1 76630734 168047256 /nfs/dbraw/zinc/04/72/56/168047256.db2.gz WALUXUISAPIJLV-VIFPVBQESA-N 0 0 185.267 1.629 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])C1CCC(C)(C)CC1 76637868 168047366 /nfs/dbraw/zinc/04/73/66/168047366.db2.gz AXPYVIZRMCQAAO-VIFPVBQESA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@@H](C)c1ccccc1 41046432 168047384 /nfs/dbraw/zinc/04/73/84/168047384.db2.gz LKHVLAJOHKCAFY-WPRPVWTQSA-N 0 0 193.246 1.463 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])C1CCC(C)CC1 76630741 168047394 /nfs/dbraw/zinc/04/73/94/168047394.db2.gz QKJVPDVWIFIQCJ-HACHORDNSA-N 0 0 185.267 1.485 10 0 ADAERN CN[C@H](C(=O)OC)C1CCCCC1 37458385 168047475 /nfs/dbraw/zinc/04/74/75/168047475.db2.gz DCFBJPIZEHSJKI-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN CN[C@H](C(=O)OC)c1cccs1 41672166 168047489 /nfs/dbraw/zinc/04/74/89/168047489.db2.gz WKNSISHNMPWWHI-ZETCQYMHSA-N 0 0 185.248 1.182 10 0 ADAERN CN[C@H](C(=O)OC)c1ccc(F)cc1 95619290 168047516 /nfs/dbraw/zinc/04/75/16/168047516.db2.gz APVBEQGQALEWTG-VIFPVBQESA-N 0 0 197.209 1.259 10 0 ADAERN CN[C@H](C(=O)OC)c1ccsc1 37458371 168047526 /nfs/dbraw/zinc/04/75/26/168047526.db2.gz FEPHXJQMNDBUHA-ZETCQYMHSA-N 0 0 185.248 1.182 10 0 ADAERN CN[C@H](C(=O)OC)[C@@H]1CC=CCC1 37458507 168047616 /nfs/dbraw/zinc/04/76/16/168047616.db2.gz PTSOKNKCXYDGRJ-BDAKNGLRSA-N 0 0 183.251 1.104 10 0 ADAERN CN[C@H](C(=O)OC)[C@H]1CC=CCC1 37458505 168047619 /nfs/dbraw/zinc/04/76/19/168047619.db2.gz PTSOKNKCXYDGRJ-IUCAKERBSA-N 0 0 183.251 1.104 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])[C@H](C)c1ccccc1 41046433 168047733 /nfs/dbraw/zinc/04/77/33/168047733.db2.gz LKHVLAJOHKCAFY-SCZZXKLOSA-N 0 0 193.246 1.463 10 0 ADAERN CN[C@H](C(=O)OC)c1ccc(C)s1 41675777 168047802 /nfs/dbraw/zinc/04/78/02/168047802.db2.gz VWLDEGPAOXPYNL-QMMMGPOBSA-N 0 0 199.275 1.490 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1sccc1C 41673662 168047907 /nfs/dbraw/zinc/04/79/07/168047907.db2.gz BBXWDEBOZBHQQX-LURJTMIESA-N 0 0 185.248 1.402 10 0 ADAERN C[NH2+][C@H](C(=O)[O-])c1cccc(C)c1F 76171356 168047909 /nfs/dbraw/zinc/04/79/09/168047909.db2.gz XHCCQMYBSYFJBV-VIFPVBQESA-N 0 0 197.209 1.479 10 0 ADAERN CN[C@H](C)C(=O)OC1CCCC1 54070867 168048430 /nfs/dbraw/zinc/04/84/30/168048430.db2.gz JIPIOMYXGROYEP-SSDOTTSWSA-N 0 0 171.240 1.080 10 0 ADAERN CN[C@H](C)C(=O)OCc1ccccc1 34616090 168048792 /nfs/dbraw/zinc/04/87/92/168048792.db2.gz AQHDODCEXNCMPV-SECBINFHSA-N 0 0 193.246 1.338 10 0 ADAERN CN[C@H](C(N)=O)c1ccccc1Cl 37869955 168048869 /nfs/dbraw/zinc/04/88/69/168048869.db2.gz JYJJHFQKCGBIOG-QMMMGPOBSA-N 0 0 198.653 1.086 10 0 ADAERN CN[C@H](C)C(=O)OC1CCCCC1 54070863 168049063 /nfs/dbraw/zinc/04/90/63/168049063.db2.gz ASZVSZPWEUZFBR-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN CN[C@H](C)C(=O)OC1CCCCCC1 54071007 168049156 /nfs/dbraw/zinc/04/91/56/168049156.db2.gz XMYOKYCTLJPCRG-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN CN[C@H](C)C(=O)OC1CCC(C)CC1 54070888 168049540 /nfs/dbraw/zinc/04/95/40/168049540.db2.gz QEBCXEMGAVNACQ-HWOCKDDLSA-N 0 0 199.294 1.716 10 0 ADAERN CN[C@H](C)c1nc(CSC)no1 54494080 168051352 /nfs/dbraw/zinc/05/13/52/168051352.db2.gz XGQMZBQMVJXLPE-RXMQYKEDSA-N 0 0 187.268 1.213 10 0 ADAERN C[NH2+][C@H](C)c1cn2cccc(O)c2n1 76790369 168051385 /nfs/dbraw/zinc/05/13/85/168051385.db2.gz RYBYIDIJNMHJME-SSDOTTSWSA-N 0 0 191.234 1.320 10 0 ADAERN CN[C@H](C)c1nnc([C@H]2CCCO2)o1 50618628 168051426 /nfs/dbraw/zinc/05/14/26/168051426.db2.gz SZNKTKBMZDVMSU-RNFRBKRXSA-N 0 0 197.238 1.202 10 0 ADAERN CN[C@H](C)c1nnc(CC2CC2)o1 50618588 168051570 /nfs/dbraw/zinc/05/15/70/168051570.db2.gz FEYXDHVTNCMXJU-ZCFIWIBFSA-N 0 0 181.239 1.303 10 0 ADAERN CN[C@H](C)c1nc(C2CC2)no1 48445855 168051611 /nfs/dbraw/zinc/05/16/11/168051611.db2.gz FSLLBISXHKPLBG-RXMQYKEDSA-N 0 0 167.212 1.227 10 0 ADAERN CN[C@H](C)c1nnc(CC(C)(C)C)o1 50618452 168051635 /nfs/dbraw/zinc/05/16/35/168051635.db2.gz GCYILYCHKPJEGD-SSDOTTSWSA-N 0 0 197.282 1.939 10 0 ADAERN CN[C@H](C)c1nc(C(C)C)no1 55359219 168051981 /nfs/dbraw/zinc/05/19/81/168051981.db2.gz GEWMNGAYQOQPHN-ZCFIWIBFSA-N 0 0 169.228 1.473 10 0 ADAERN CN[C@H](C)c1nnc(CC(C)C)o1 50618497 168052033 /nfs/dbraw/zinc/05/20/33/168052033.db2.gz XIGSRSKOKFSIOQ-SSDOTTSWSA-N 0 0 183.255 1.549 10 0 ADAERN C[NH2+][C@H](C)c1cnc(CN(C)C)s1 54159423 168052049 /nfs/dbraw/zinc/05/20/49/168052049.db2.gz WHPKWSVUBHSAIQ-SSDOTTSWSA-N 0 0 199.323 1.485 10 0 ADAERN CN[C@H](C)c1nc(C(C)(C)C)no1 55351854 168052129 /nfs/dbraw/zinc/05/21/29/168052129.db2.gz ZSKKQINHCLNAHO-ZCFIWIBFSA-N 0 0 183.255 1.648 10 0 ADAERN CN[C@H](C)c1nnc([C@H]2C[C@@H]2C)o1 50618425 168052153 /nfs/dbraw/zinc/05/21/53/168052153.db2.gz GZHQHCLWTVMRMH-XVMARJQXSA-N 0 0 181.239 1.473 10 0 ADAERN CN[C@H](C)c1nnc(C2CCC2)o1 50618496 168052202 /nfs/dbraw/zinc/05/22/02/168052202.db2.gz FTMRIGIRNHPHAI-ZCFIWIBFSA-N 0 0 181.239 1.618 10 0 ADAERN C[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 54069828 168052209 /nfs/dbraw/zinc/05/22/09/168052209.db2.gz AUAJXRCDTFPZRV-ZCFIWIBFSA-N 0 0 168.244 1.209 10 0 ADAERN CN[C@H](C)c1nnc(C(C)C)o1 50618487 168052249 /nfs/dbraw/zinc/05/22/49/168052249.db2.gz BNNIAUYFAVPVJF-ZCFIWIBFSA-N 0 0 169.228 1.473 10 0 ADAERN CN[C@H](C)c1nnc(C(C)(C)C)o1 50618538 168052260 /nfs/dbraw/zinc/05/22/60/168052260.db2.gz GZIGXGMTTRSIGU-ZCFIWIBFSA-N 0 0 183.255 1.648 10 0 ADAERN CN[C@H](C)c1nc(CC(C)C)no1 54053169 168052270 /nfs/dbraw/zinc/05/22/70/168052270.db2.gz VOCLQUQVJQTTOG-SSDOTTSWSA-N 0 0 183.255 1.549 10 0 ADAERN CN[C@H](C)c1csc(NC(C)=O)n1 76785004 168052289 /nfs/dbraw/zinc/05/22/89/168052289.db2.gz HABJKOFFCYJPMK-RXMQYKEDSA-N 0 0 199.279 1.382 10 0 ADAERN CN[C@H](C)c1nnc([C@@H]2CCCO2)o1 50618626 168052306 /nfs/dbraw/zinc/05/23/06/168052306.db2.gz SZNKTKBMZDVMSU-RQJHMYQMSA-N 0 0 197.238 1.202 10 0 ADAERN C[NH2+][C@H](C)c1ccc(C(=O)[O-])s1 22862848 168052615 /nfs/dbraw/zinc/05/26/15/168052615.db2.gz OUBAGBGFPAYIOW-RXMQYKEDSA-N 0 0 185.248 1.727 10 0 ADAERN C[NH2+][C@H](C)c1nc2cc(F)ccc2[nH]1 54052949 168052652 /nfs/dbraw/zinc/05/26/52/168052652.db2.gz FFALIYIXDYEZTP-ZCFIWIBFSA-N 0 0 193.225 1.982 10 0 ADAERN CN[C@H](C)c1nnc(C2CC2)o1 50618289 168052743 /nfs/dbraw/zinc/05/27/43/168052743.db2.gz QZPKKVVFBOLOPD-RXMQYKEDSA-N 0 0 167.212 1.227 10 0 ADAERN CN[C@H](C)c1nnc([C@@H]2C[C@@H]2C)o1 50618428 168052781 /nfs/dbraw/zinc/05/27/81/168052781.db2.gz GZHQHCLWTVMRMH-RRKCRQDMSA-N 0 0 181.239 1.473 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])C1CCCCC1 2597542 168052941 /nfs/dbraw/zinc/05/29/41/168052941.db2.gz YTQCQWJBIDLUGO-SECBINFHSA-N 0 0 185.267 1.629 10 0 ADAERN C[NH2+][C@H](C)c1nnc(C2CCCC2)[nH]1 54069851 168052947 /nfs/dbraw/zinc/05/29/47/168052947.db2.gz NJIOOEXPAQMPIC-SSDOTTSWSA-N 0 0 194.282 1.743 10 0 ADAERN C[NH2+][C@H](CC(=O)[O-])CC(C)C 34049652 168052995 /nfs/dbraw/zinc/05/29/95/168052995.db2.gz IVVTXKJXLQQNQP-ZETCQYMHSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+][C@H](Cc1cccc(F)c1)C(=O)[O-] 76169728 168053135 /nfs/dbraw/zinc/05/31/35/168053135.db2.gz ZRMVYUADMZBKGO-SECBINFHSA-N 0 0 197.209 1.041 10 0 ADAERN CN[C@H](COC)c1nccs1 45206246 168053789 /nfs/dbraw/zinc/05/37/89/168053789.db2.gz QETUYURJGTZSCR-ZCFIWIBFSA-N 0 0 172.253 1.050 10 0 ADAERN C[NH2+][C@H](CCC(=O)[O-])c1cccnc1 6228545 168054148 /nfs/dbraw/zinc/05/41/48/168054148.db2.gz WERGJLUDJRKXIV-SECBINFHSA-N 0 0 194.234 1.207 10 0 in-vitro ADAERN C[NH2+][C@H]1C=C[C@@](C)(C(=O)[O-])CC1 75557801 168055148 /nfs/dbraw/zinc/05/51/48/168055148.db2.gz BLFKPXDZVZDOFV-IONNQARKSA-N 0 0 169.224 1.015 10 0 ADAERN C[NH2+][C@H]1C=C(C)[C@](C)(C(=O)[O-])CC1 75576291 168055338 /nfs/dbraw/zinc/05/53/38/168055338.db2.gz YVPUXQQTVRKQPA-PSASIEDQSA-N 0 0 183.251 1.405 10 0 ADAERN CN[C@H](c1ccccc1)c1ncccn1 37469161 168055400 /nfs/dbraw/zinc/05/54/00/168055400.db2.gz PGVSCFPFESOLDD-LLVKDONJSA-N 0 0 199.257 1.785 10 0 ADAERN C[NH2+][C@H]1C=C(C)[C@@](C)(C(=O)[O-])CC1 75576293 168055454 /nfs/dbraw/zinc/05/54/54/168055454.db2.gz YVPUXQQTVRKQPA-SCZZXKLOSA-N 0 0 183.251 1.405 10 0 ADAERN C[NH2+][C@H]1C=C[C@](C)(C(=O)[O-])CC1 75557804 168055492 /nfs/dbraw/zinc/05/54/92/168055492.db2.gz BLFKPXDZVZDOFV-CBAPKCEASA-N 0 0 169.224 1.015 10 0 ADAERN CN[C@H](c1cncnc1)C(F)(F)F 82718543 168055513 /nfs/dbraw/zinc/05/55/13/168055513.db2.gz PNLKUJKYTHHZBW-ZCFIWIBFSA-N 0 0 191.156 1.299 10 0 ADAERN CN[C@H]1C(=O)N(C)c2c(F)cccc21 82588792 168055594 /nfs/dbraw/zinc/05/55/94/168055594.db2.gz JALIAMCDMKSDBE-MRVPVSSYSA-N 0 0 194.209 1.063 10 0 ADAERN CN[C@H](c1nccs1)C(F)(F)F 82718545 168055865 /nfs/dbraw/zinc/05/58/65/168055865.db2.gz SFLHRZJEEPBOJL-SCSAIBSYSA-N 0 0 196.197 1.966 10 0 ADAERN CN[C@H](c1ccoc1)c1nccn1C 41048646 168055884 /nfs/dbraw/zinc/05/58/84/168055884.db2.gz GITNFTHIRCPUJX-SECBINFHSA-N 0 0 191.234 1.322 10 0 ADAERN CN[C@H](c1cncnc1)c1ccco1 54455946 168055912 /nfs/dbraw/zinc/05/59/12/168055912.db2.gz AMWOHMSNHXTDFE-SNVBAGLBSA-N 0 0 189.218 1.378 10 0 ADAERN CN[C@H](c1ccccc1)c1nnco1 50618029 168055954 /nfs/dbraw/zinc/05/59/54/168055954.db2.gz USMMIAVPNNKYAY-SECBINFHSA-N 0 0 189.218 1.378 10 0 ADAERN CN[C@H](c1cnn(C)c1)C(F)(F)F 35499987 168056077 /nfs/dbraw/zinc/05/60/77/168056077.db2.gz RFCAEDZKMZLHFW-ZCFIWIBFSA-N 0 0 193.172 1.243 10 0 ADAERN CN[C@H](c1cnn(C)c1)c1ccco1 35499909 168056094 /nfs/dbraw/zinc/05/60/94/168056094.db2.gz YRDROSOUWMHSHY-SNVBAGLBSA-N 0 0 191.234 1.322 10 0 ADAERN CN[C@H](c1cn[nH]c1)c1ccco1 62777223 168056241 /nfs/dbraw/zinc/05/62/41/168056241.db2.gz ACDRHFSVNYNZRF-SECBINFHSA-N 0 0 177.207 1.312 10 0 ADAERN CN[C@H](c1ccco1)c1nccn1C 37184181 168056303 /nfs/dbraw/zinc/05/63/03/168056303.db2.gz GZKGIQDNHRFMJV-SECBINFHSA-N 0 0 191.234 1.322 10 0 ADAERN C[NH2+][C@H]1CCCc2s[n-]c(=O)c21 13803376 168058267 /nfs/dbraw/zinc/05/82/67/168058267.db2.gz MHGVSGHXCCFMJC-YFKPBYRVSA-N 0 0 184.264 1.033 10 0 ADAERN CN[C@H]1OC(=O)c2ccccc21 59304975 168059689 /nfs/dbraw/zinc/05/96/89/168059689.db2.gz AEYOJVYWEWMNGJ-QMMMGPOBSA-N 0 0 163.176 1.075 10 0 ADAERN CN[C@]1(C(=O)OC)CCC[C@H](C)C1 37447766 168060522 /nfs/dbraw/zinc/06/05/22/168060522.db2.gz FJRHRODBXKKQRL-WCBMZHEXSA-N 0 0 185.267 1.328 10 0 ADAERN C[NH2+][C@](C)(C(=O)[O-])c1ccccc1F 37180759 168060781 /nfs/dbraw/zinc/06/07/81/168060781.db2.gz UXWZKOXFZQWXFH-JTQLQIEISA-N 0 0 197.209 1.345 10 0 ADAERN C[NH2+][C@](C)(CCCSC)C(=O)[O-] 45595073 168061191 /nfs/dbraw/zinc/06/11/91/168061191.db2.gz MIVGBOJTLWGLHH-MRVPVSSYSA-N 0 0 191.296 1.192 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](C)C1 37180459 168061276 /nfs/dbraw/zinc/06/12/76/168061276.db2.gz JSKWTZZBQGPECO-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCCC[C@@H]1C 37180439 168061447 /nfs/dbraw/zinc/06/14/47/168061447.db2.gz WPNXGJIFSICBJE-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+][C@](C)(CCC(C)C)C(=O)[O-] 37180389 168061674 /nfs/dbraw/zinc/06/16/74/168061674.db2.gz BGTYJFCPXHGCMW-SECBINFHSA-N 0 0 173.256 1.485 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])C[C@H](C)CC(C)(C)C1 37180775 168061738 /nfs/dbraw/zinc/06/17/38/168061738.db2.gz YPMWTLLRWIHLFJ-LDYMZIIASA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@](C)(CC(=O)[O-])C(C)C 17830532 168061743 /nfs/dbraw/zinc/06/17/43/168061743.db2.gz LPEPOMBEQMZCLQ-MRVPVSSYSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+][C@](C)(C(=O)[O-])c1cccc(C)c1 41046820 168061746 /nfs/dbraw/zinc/06/17/46/168061746.db2.gz UQYNLORLYSBESM-NSHDSACASA-N 0 0 193.246 1.514 10 0 ADAERN CN[C@]1(C(=O)OC)CCCC[C@@H]1C 37447755 168061757 /nfs/dbraw/zinc/06/17/57/168061757.db2.gz IVWPHELDQZUVII-WCBMZHEXSA-N 0 0 185.267 1.328 10 0 ADAERN CN[C@](C)(C(=O)OC)c1ccccc1 96298996 168061761 /nfs/dbraw/zinc/06/17/61/168061761.db2.gz CMNCNTVFYXHAQF-NSHDSACASA-N 0 0 193.246 1.294 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1C 37180437 168061772 /nfs/dbraw/zinc/06/17/72/168061772.db2.gz WPNXGJIFSICBJE-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN CN[C@]1(C(=O)OC)CCCC[C@H]1C 37447754 168061837 /nfs/dbraw/zinc/06/18/37/168061837.db2.gz IVWPHELDQZUVII-PSASIEDQSA-N 0 0 185.267 1.328 10 0 ADAERN CN[C@]1(C(=O)OC)CCC[C@@H](C)C1 37447765 168061903 /nfs/dbraw/zinc/06/19/03/168061903.db2.gz FJRHRODBXKKQRL-PSASIEDQSA-N 0 0 185.267 1.328 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])C[C@@H](C)CC(C)(C)C1 37180777 168061934 /nfs/dbraw/zinc/06/19/34/168061934.db2.gz YPMWTLLRWIHLFJ-GZMMTYOYSA-N 0 0 199.294 1.875 10 0 ADAERN C[NH2+][C@](C)(CC(C)C)C(=O)[O-] 18679001 168061971 /nfs/dbraw/zinc/06/19/71/168061971.db2.gz HTTMEPIVBXJRSZ-MRVPVSSYSA-N 0 0 159.229 1.095 10 0 ADAERN C[NH2+][C@](C)(Cc1ccccc1)C(=O)[O-] 62172997 168061973 /nfs/dbraw/zinc/06/19/73/168061973.db2.gz JLWRYYFQBFFCFP-LLVKDONJSA-N 0 0 193.246 1.292 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)C1 37180461 168062019 /nfs/dbraw/zinc/06/20/19/168062019.db2.gz JSKWTZZBQGPECO-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN CNc1c(N(C)C)ccnc1OC 62796743 168062209 /nfs/dbraw/zinc/06/22/09/168062209.db2.gz JPVBQLBLJIZLEH-UHFFFAOYSA-N 0 0 181.239 1.198 10 0 ADAERN CNc1cc(C(C)=O)ccc1O 45796510 168062241 /nfs/dbraw/zinc/06/22/41/168062241.db2.gz ISOIKKDOUXGCSD-UHFFFAOYSA-N 0 0 165.192 1.637 10 0 ADAERN CNc1cc(C(C)=O)ccc1N 75546197 168062254 /nfs/dbraw/zinc/06/22/54/168062254.db2.gz WHGIXXKRJPPYEJ-UHFFFAOYSA-N 0 0 164.208 1.513 10 0 ADAERN CNc1cc(C(=O)OC)c(N)cc1F 50018533 168062263 /nfs/dbraw/zinc/06/22/63/168062263.db2.gz FLUZEYYGCZYBFP-UHFFFAOYSA-N 0 0 198.197 1.236 10 0 ADAERN CN[P@]1(=O)CC[C@@H](C)O1 38803644 168062272 /nfs/dbraw/zinc/06/22/72/168062272.db2.gz MPEREZVMCUMRRS-ANLVUFKYSA-N 0 0 149.130 1.208 10 0 ADAERN CNc1cc(-c2ccncc2)[nH]n1 62667514 168062277 /nfs/dbraw/zinc/06/22/77/168062277.db2.gz WYALWXPJVGYEGR-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CNc1cc(-c2cc(N)n[nH]2)ccn1 168872462 168062286 /nfs/dbraw/zinc/06/22/86/168062286.db2.gz XFTMHOSZUQELKY-UHFFFAOYSA-N 0 0 189.222 1.096 10 0 ADAERN CNc1c(N)c(C(C)C)nn1C 38583000 168062310 /nfs/dbraw/zinc/06/23/10/168062310.db2.gz JLVSZNXMZWEPJH-UHFFFAOYSA-N 0 0 168.244 1.167 10 0 ADAERN CN[P@@]1(=O)CC[C@H](C)O1 38803642 168062320 /nfs/dbraw/zinc/06/23/20/168062320.db2.gz MPEREZVMCUMRRS-SSDLBLMSSA-N 0 0 149.130 1.208 10 0 ADAERN CNc1c(OC2CC2)ccnc1F 95729465 168062353 /nfs/dbraw/zinc/06/23/53/168062353.db2.gz MBADAGSKLIJHSH-UHFFFAOYSA-N 0 0 182.198 1.804 10 0 ADAERN CNc1cc(C(F)(F)F)no1 34610362 168062415 /nfs/dbraw/zinc/06/24/15/168062415.db2.gz JFCZUHSXUWJAIW-UHFFFAOYSA-N 0 0 166.102 1.735 10 0 ADAERN CNc1n[nH]c2c1CCC[C@@H]2C 62667727 168062457 /nfs/dbraw/zinc/06/24/57/168062457.db2.gz AEZNCCQXCUCFJH-LURJTMIESA-N 0 0 165.240 1.891 10 0 ADAERN CNc1c(N)c(C)nn1C(C)C 34278630 168062480 /nfs/dbraw/zinc/06/24/80/168062480.db2.gz IDSGLMLGILYOCX-UHFFFAOYSA-N 0 0 168.244 1.396 10 0 ADAERN CNc1cc(C)[nH]c1C 77260039 168062506 /nfs/dbraw/zinc/06/25/06/168062506.db2.gz BDVQCTLDGUASNC-UHFFFAOYSA-N 0 0 124.187 1.673 10 0 ADAERN CNc1c(N)cc(Cl)cc1OC 204148575 168062515 /nfs/dbraw/zinc/06/25/15/168062515.db2.gz ONVXGJVQEJRPQX-UHFFFAOYSA-N 0 0 186.642 1.973 10 0 ADAERN CNc1c(O)cccc1OC 95723644 168062532 /nfs/dbraw/zinc/06/25/32/168062532.db2.gz YRDYFLRZGQGGSY-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN CNc1cc(C(=O)NC2CC2)ccn1 50725516 168062563 /nfs/dbraw/zinc/06/25/63/168062563.db2.gz LMYZXDVSGNQRJU-UHFFFAOYSA-N 0 0 191.234 1.016 10 0 ADAERN CNc1c(C)cccc1C(=O)OC 39287948 168062603 /nfs/dbraw/zinc/06/26/03/168062603.db2.gz FSTVWIKMVFBCII-UHFFFAOYSA-N 0 0 179.219 1.823 10 0 ADAERN CNc1cc(C(=O)NC(C)C)ccn1 50725018 168062641 /nfs/dbraw/zinc/06/26/41/168062641.db2.gz SEKVASMKZMBTHD-UHFFFAOYSA-N 0 0 193.250 1.262 10 0 ADAERN CNc1c(OC)ccc(OC)c1N 75575978 168062649 /nfs/dbraw/zinc/06/26/49/168062649.db2.gz WVMFEFQXGOXQOV-UHFFFAOYSA-N 0 0 182.223 1.328 10 0 ADAERN CNc1c(OC2CC2)ccnc1OC 95730579 168062654 /nfs/dbraw/zinc/06/26/54/168062654.db2.gz LLOXWJOVYVLBMJ-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CNc1cc(C(F)(F)F)nn1C 95075749 168062717 /nfs/dbraw/zinc/06/27/17/168062717.db2.gz DFHBZKAIYSSXCC-UHFFFAOYSA-N 0 0 179.145 1.481 10 0 ADAERN CNc1c(OC2CC2)ccnc1C=O 95729547 168062720 /nfs/dbraw/zinc/06/27/20/168062720.db2.gz GJLBYGMGXLCZFH-UHFFFAOYSA-N 0 0 192.218 1.477 10 0 ADAERN CNc1c(C)cc(N)cc1C 39090833 168062760 /nfs/dbraw/zinc/06/27/60/168062760.db2.gz SFWUULDSVBVUOG-UHFFFAOYSA-N 0 0 150.225 1.927 10 0 ADAERN CNc1cc(C(C)(C)C)ncn1 50850522 168062786 /nfs/dbraw/zinc/06/27/86/168062786.db2.gz FBJBPNIGTAMYRZ-UHFFFAOYSA-N 0 0 165.240 1.816 10 0 ADAERN CN[P@]1(=O)CC[C@H](C)O1 38803646 168062797 /nfs/dbraw/zinc/06/27/97/168062797.db2.gz MPEREZVMCUMRRS-CDUCUWFYSA-N 0 0 149.130 1.208 10 0 ADAERN CNc1c(N)cccc1OC1CC1 95728832 168062902 /nfs/dbraw/zinc/06/29/02/168062902.db2.gz YZLVLDRKKFJGOV-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN CNc1cc(-c2cc[nH]c2)nc(C)n1 82530150 168062905 /nfs/dbraw/zinc/06/29/05/168062905.db2.gz WJCWPQIPRQBNQB-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN CNc1cc(C(N)=O)c(F)cc1F 62796725 168062922 /nfs/dbraw/zinc/06/29/22/168062922.db2.gz WVDZJLRRWZZSNQ-UHFFFAOYSA-N 0 0 186.161 1.105 10 0 ADAERN CNc1cc(C)c(C)o1 39127054 168062948 /nfs/dbraw/zinc/06/29/48/168062948.db2.gz DPCFNEISLJWFQA-UHFFFAOYSA-N 0 0 125.171 1.938 10 0 ADAERN CNc1n[nH]c(C)c1C 62667781 168062980 /nfs/dbraw/zinc/06/29/80/168062980.db2.gz SARKUXSGOQUHSM-UHFFFAOYSA-N 0 0 125.175 1.068 10 0 ADAERN CNc1c(C(C)(C)C)nnn1C 2541260 168063030 /nfs/dbraw/zinc/06/30/30/168063030.db2.gz MQGSQOXKZRDTFH-UHFFFAOYSA-N 0 0 168.244 1.154 10 0 ADAERN CNc1cc(C)c(O)cc1O 39059443 168063068 /nfs/dbraw/zinc/06/30/68/168063068.db2.gz AHOPDLBTGFYPDI-UHFFFAOYSA-N 0 0 153.181 1.448 10 0 ADAERN CNc1n[nH]c2c1CCCC2 24434280 168063072 /nfs/dbraw/zinc/06/30/72/168063072.db2.gz ZIVJQMJCCVNNCM-UHFFFAOYSA-N 0 0 151.213 1.330 10 0 ADAERN CNc1cc(C)c(C)cc1N 75538901 168063112 /nfs/dbraw/zinc/06/31/12/168063112.db2.gz GENQEJQSHJSCPD-UHFFFAOYSA-N 0 0 150.225 1.927 10 0 in-vitro ADAERN CNc1cc(C(=O)OC)ccc1C 62796583 168063136 /nfs/dbraw/zinc/06/31/36/168063136.db2.gz FCAPPINDQLEOQQ-UHFFFAOYSA-N 0 0 179.219 1.823 10 0 ADAERN CNc1cc(-c2ccn(C)c2)ncn1 82530146 168063201 /nfs/dbraw/zinc/06/32/01/168063201.db2.gz QYHSXTBKODYZGP-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN CNc1cc(-c2ccco2)[nH]n1 62667593 168063288 /nfs/dbraw/zinc/06/32/88/168063288.db2.gz REFYRKUZQLWPHI-UHFFFAOYSA-N 0 0 163.180 1.711 10 0 ADAERN CNc1cc(C(C)(C)C)[nH]n1 34070450 168063335 /nfs/dbraw/zinc/06/33/35/168063335.db2.gz KMYRGANVYIGAOI-UHFFFAOYSA-N 0 0 153.229 1.749 10 0 ADAERN CNc1c(F)cc(N)cc1F 38039868 168063339 /nfs/dbraw/zinc/06/33/39/168063339.db2.gz PJIBFCTTYFKHDW-UHFFFAOYSA-N 0 0 158.151 1.589 10 0 ADAERN CNc1n[nH]c2c1C[C@H](C)CC2 62667690 168063352 /nfs/dbraw/zinc/06/33/52/168063352.db2.gz KROJRSGPJFVKQC-ZCFIWIBFSA-N 0 0 165.240 1.576 10 0 ADAERN CNc1c(N)n[nH]c1-c1ccccc1 62719658 168063396 /nfs/dbraw/zinc/06/33/96/168063396.db2.gz GDWCOBNYTKBBDG-UHFFFAOYSA-N 0 0 188.234 1.701 10 0 ADAERN CNc1c(N)cccc1O 5329118 168063423 /nfs/dbraw/zinc/06/34/23/168063423.db2.gz TZULHIYGGNIFGD-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN CNc1cc(C(C)C)nc(C)n1 50851499 168063501 /nfs/dbraw/zinc/06/35/01/168063501.db2.gz HHAUWPXSCHCMJR-UHFFFAOYSA-N 0 0 165.240 1.950 10 0 ADAERN CNc1cc(C(F)(F)F)nc(C)n1 95756168 168063530 /nfs/dbraw/zinc/06/35/30/168063530.db2.gz SQBFGPDVSMJSRR-UHFFFAOYSA-N 0 0 191.156 1.846 10 0 ADAERN CNc1c(O)cccc1C(=O)N(C)C 95724289 168063535 /nfs/dbraw/zinc/06/35/35/168063535.db2.gz VZEDOXGZPKBTJK-UHFFFAOYSA-N 0 0 194.234 1.136 10 0 ADAERN CNc1cc(C)c(OC2CC2)cn1 95730282 168063541 /nfs/dbraw/zinc/06/35/41/168063541.db2.gz PEAPVCIGCFOPBG-UHFFFAOYSA-N 0 0 178.235 1.973 10 0 ADAERN CNc1n[nH]c2c1[C@@H](C)CC2 28378655 168063557 /nfs/dbraw/zinc/06/35/57/168063557.db2.gz PKISHHLBOJNFHN-YFKPBYRVSA-N 0 0 151.213 1.501 10 0 ADAERN CNc1c(F)cncc1OC1CC1 95728333 168063574 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/nfs/dbraw/zinc/06/51/10/168065110.db2.gz SOGFPFSCLPWRNW-UHFFFAOYSA-N 0 0 166.180 1.130 10 0 ADAERN CNc1cc2c(cc1N)NC(=O)CC2 35341211 168065118 /nfs/dbraw/zinc/06/51/18/168065118.db2.gz ZVOYGZFXMBCAOX-UHFFFAOYSA-N 0 0 191.234 1.195 10 0 ADAERN CNc1cc(OC)ccc1O 71455049 168065126 /nfs/dbraw/zinc/06/51/26/168065126.db2.gz ZUFDBDYWBZRJIP-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN CNc1cc(C)ccc1S(C)(=O)=O 71453722 168065149 /nfs/dbraw/zinc/06/51/49/168065149.db2.gz ZHLSSHJVFZDUQM-UHFFFAOYSA-N 0 0 199.275 1.440 10 0 ADAERN CNc1cc2c(cc(N)n2O)o1 39126790 168065156 /nfs/dbraw/zinc/06/51/56/168065156.db2.gz LAEUVKYWTSDICM-UHFFFAOYSA-N 0 0 167.168 1.096 10 0 ADAERN CNc1cc(O)ccc1N(C)C 95723417 168065185 /nfs/dbraw/zinc/06/51/85/168065185.db2.gz IXNIOHPZEYPURJ-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN CNc1cc(N(C)C)ccc1O 95720670 168065204 /nfs/dbraw/zinc/06/52/04/168065204.db2.gz OALWKORXLOFBNC-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN CNc1ccc(-c2cc(=O)[nH][nH]2)cc1 62796808 168065215 /nfs/dbraw/zinc/06/52/15/168065215.db2.gz RKDPZDFLASZCJT-UHFFFAOYSA-N 0 0 189.218 1.824 10 0 ADAERN CNc1cc(CSC)ccn1 52756512 168065249 /nfs/dbraw/zinc/06/52/49/168065249.db2.gz CUYQRUMYRGVFBH-UHFFFAOYSA-N 0 0 168.265 1.986 10 0 ADAERN CNc1cc(Cl)ccc1C(N)=O 85346041 168065255 /nfs/dbraw/zinc/06/52/55/168065255.db2.gz YVSIYYBYOHWTSC-UHFFFAOYSA-N 0 0 184.626 1.481 10 0 ADAERN CNc1ccc(-c2ccn(C)c2)nn1 82530145 168065267 /nfs/dbraw/zinc/06/52/67/168065267.db2.gz HGMFTUZCJKNRHO-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN CNc1cc(OC)nc(C(C)(C)C)n1 82492278 168065279 /nfs/dbraw/zinc/06/52/79/168065279.db2.gz SWZQUVKOZHOXMG-UHFFFAOYSA-N 0 0 195.266 1.824 10 0 ADAERN CNc1cc(C2CC2)nn1C 95075750 168065302 /nfs/dbraw/zinc/06/53/02/168065302.db2.gz QZRVPBXAHAIGBH-UHFFFAOYSA-N 0 0 151.213 1.339 10 0 ADAERN CNc1cc(O)ccc1N 75526021 168065314 /nfs/dbraw/zinc/06/53/14/168065314.db2.gz LBKBCWIPKCYLGT-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN CNc1cc(OC)nc(C(C)C)n1 82482611 168065329 /nfs/dbraw/zinc/06/53/29/168065329.db2.gz GNPZBTCZQGRALJ-UHFFFAOYSA-N 0 0 181.239 1.650 10 0 ADAERN CNc1cc2nc(C)[nH]c2cn1 83254249 168065341 /nfs/dbraw/zinc/06/53/41/168065341.db2.gz RLKINPNKQHUIBB-UHFFFAOYSA-N 0 0 162.196 1.308 10 0 ADAERN CNc1cc(C)nc(CCOC)n1 50848651 168065352 /nfs/dbraw/zinc/06/53/52/168065352.db2.gz HAFUGYWYJXZUDO-UHFFFAOYSA-N 0 0 181.239 1.016 10 0 ADAERN CNc1cc(C)cc2ncnn12 35254929 168065380 /nfs/dbraw/zinc/06/53/80/168065380.db2.gz HCDDYRLTOVYKTH-UHFFFAOYSA-N 0 0 162.196 1.079 10 0 ADAERN CNc1cc(OC2CC2)c(F)cn1 95728039 168065464 /nfs/dbraw/zinc/06/54/64/168065464.db2.gz IPHSGJRDVHJLJN-UHFFFAOYSA-N 0 0 182.198 1.804 10 0 ADAERN CNc1cc2c(cc1N)CCC(=O)N2 57464981 168065499 /nfs/dbraw/zinc/06/54/99/168065499.db2.gz QOPBEOHFQPGSPX-UHFFFAOYSA-N 0 0 191.234 1.195 10 0 ADAERN CNc1cc(C)ccc1C(N)=S 51596320 168065509 /nfs/dbraw/zinc/06/55/09/168065509.db2.gz YNWKNIGAZGAGJL-UHFFFAOYSA-N 0 0 180.276 1.671 10 0 ADAERN CNc1cc2c(nn1)CCCC2 54931039 168065518 /nfs/dbraw/zinc/06/55/18/168065518.db2.gz QXMPHDATIGVFSO-UHFFFAOYSA-N 0 0 163.224 1.397 10 0 ADAERN CNc1cc(C=O)ccc1O 95722371 168065526 /nfs/dbraw/zinc/06/55/26/168065526.db2.gz QQNHOQKCRMNKHA-UHFFFAOYSA-N 0 0 151.165 1.246 10 0 ADAERN CNc1cc(OC)c(OC)cc1OC 83256445 168065563 /nfs/dbraw/zinc/06/55/63/168065563.db2.gz FOHCWKFTCQHURV-UHFFFAOYSA-N 0 0 197.234 1.754 10 0 ADAERN CNc1cc(O)cc(NC)c1 95774831 168065608 /nfs/dbraw/zinc/06/56/08/168065608.db2.gz CCLAZYZECZLTBK-UHFFFAOYSA-N 0 0 152.197 1.476 10 0 ADAERN CNc1cc(OC2CC2)cc(F)n1 95728244 168065611 /nfs/dbraw/zinc/06/56/11/168065611.db2.gz XPCOOFBDBYERKF-UHFFFAOYSA-N 0 0 182.198 1.804 10 0 ADAERN CNc1cc2c(nn1)[C@@H](C)CCC2 54931070 168065636 /nfs/dbraw/zinc/06/56/36/168065636.db2.gz HEFLXRVEQDJGFJ-ZETCQYMHSA-N 0 0 177.251 1.958 10 0 ADAERN CNc1cc(O)cc(N(C)C)c1 95722992 168065654 /nfs/dbraw/zinc/06/56/54/168065654.db2.gz OPZOJEDHRXMMAE-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN CNc1ccc(-c2ccncc2)nn1 50867922 168065670 /nfs/dbraw/zinc/06/56/70/168065670.db2.gz GJFFLDWYPKRLHW-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1ccc(-c2cccnc2)nn1 50867923 168065685 /nfs/dbraw/zinc/06/56/85/168065685.db2.gz DPQLGKXLYKKZQA-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1cc(O)ccc1OC 95719702 168065686 /nfs/dbraw/zinc/06/56/86/168065686.db2.gz GJTBVHCDTWQGLM-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN CNc1cc(C)nc([C@@H]2CCOC2)n1 51691579 168065690 /nfs/dbraw/zinc/06/56/90/168065690.db2.gz SPVBHOYIPIUZLF-MRVPVSSYSA-N 0 0 193.250 1.331 10 0 ADAERN CNc1cc(C=O)ncc1OC1CC1 95729290 168065693 /nfs/dbraw/zinc/06/56/93/168065693.db2.gz YNNFOZNZWOUIIW-UHFFFAOYSA-N 0 0 192.218 1.477 10 0 ADAERN CNc1cc(OCC(C)C)ncn1 82482342 168065701 /nfs/dbraw/zinc/06/57/01/168065701.db2.gz HMVGPMJQOJOHHS-UHFFFAOYSA-N 0 0 181.239 1.553 10 0 ADAERN CNc1cc(C)n(C)c1C 77260208 168065710 /nfs/dbraw/zinc/06/57/10/168065710.db2.gz JIPMOHVISXJNDJ-UHFFFAOYSA-N 0 0 138.214 1.684 10 0 ADAERN CNc1cc(C)cc(O)c1 84426098 168065711 /nfs/dbraw/zinc/06/57/11/168065711.db2.gz CFRFMCYTSFAZSW-UHFFFAOYSA-N 0 0 137.182 1.742 10 0 ADAERN CNc1cc(F)ncc1OC1CC1 95730267 168065737 /nfs/dbraw/zinc/06/57/37/168065737.db2.gz OKPNOLGUATZWCO-UHFFFAOYSA-N 0 0 182.198 1.804 10 0 ADAERN CNc1cc(O)cc(F)c1 84426193 168065739 /nfs/dbraw/zinc/06/57/39/168065739.db2.gz OMFZOMQRAJTRHT-UHFFFAOYSA-N 0 0 141.145 1.573 10 0 ADAERN CNc1cc2c(nn1)CCCCC2 54931079 168065743 /nfs/dbraw/zinc/06/57/43/168065743.db2.gz KHOROLHQKHDLDS-UHFFFAOYSA-N 0 0 177.251 1.787 10 0 ADAERN CNc1cc(OC)ccc1C=O 75546691 168065752 /nfs/dbraw/zinc/06/57/52/168065752.db2.gz URCXBYOASZXHAK-UHFFFAOYSA-N 0 0 165.192 1.549 10 0 ADAERN CNc1cc2c(cc1C)OCCO2 82587928 168065756 /nfs/dbraw/zinc/06/57/56/168065756.db2.gz QKPUXRKYNGHPJF-UHFFFAOYSA-N 0 0 179.219 1.808 10 0 ADAERN CNc1cc(F)ccc1C(=O)OC 34067206 168065769 /nfs/dbraw/zinc/06/57/69/168065769.db2.gz IOSTYTUPOTYMES-UHFFFAOYSA-N 0 0 183.182 1.654 10 0 ADAERN CNc1cc(OC)ncc1OC1CC1 95730807 168065770 /nfs/dbraw/zinc/06/57/70/168065770.db2.gz JPAMDXYIAORPIT-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CNc1cc(O)ccc1C(C)=O 75546632 168065796 /nfs/dbraw/zinc/06/57/96/168065796.db2.gz MUFLLEXLXKPWJX-UHFFFAOYSA-N 0 0 165.192 1.637 10 0 ADAERN CNc1ccc(-n2ccnc2)nc1 62796810 168065925 /nfs/dbraw/zinc/06/59/25/168065925.db2.gz SUGPBEOFJGVCAA-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN CNc1ccc(-n2cccn2)nc1 62796800 168065941 /nfs/dbraw/zinc/06/59/41/168065941.db2.gz MGYJJFRFNUOASN-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN CNc1ccc(-c2nncn2C)cc1 62796764 168065945 /nfs/dbraw/zinc/06/59/45/168065945.db2.gz LZQUHFMPTBFNOP-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN CNc1ccc(-n2cc[nH]c2=O)cc1 62796591 168065956 /nfs/dbraw/zinc/06/59/56/168065956.db2.gz AVNQFIWZCVXRKJ-UHFFFAOYSA-N 0 0 189.218 1.207 10 0 ADAERN CNc1ccc(-n2cncn2)c(F)c1 62796606 168065960 /nfs/dbraw/zinc/06/59/60/168065960.db2.gz OLQDVVWHBQFJND-UHFFFAOYSA-N 0 0 192.197 1.448 10 0 ADAERN CNc1ccc(-c2nnc(N)o2)cc1 82530332 168065969 /nfs/dbraw/zinc/06/59/69/168065969.db2.gz AHPSGZWQDCKBIR-UHFFFAOYSA-N 0 0 190.206 1.361 10 0 ADAERN CNc1ccc(-c2ncncn2)cc1 82529954 168065974 /nfs/dbraw/zinc/06/59/74/168065974.db2.gz MUFXPCDKNQFMEV-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1ccc(-n2ccnc2C)nc1 62796717 168065976 /nfs/dbraw/zinc/06/59/76/168065976.db2.gz GAUJNWJWCOVXAF-UHFFFAOYSA-N 0 0 188.234 1.617 10 0 ADAERN CNc1ccc(-c2nc[nH]n2)cc1 82529326 168065987 /nfs/dbraw/zinc/06/59/87/168065987.db2.gz LQRJNBOJKAHWNK-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CNc1cccc(-n2cnnc2)c1 62796779 168066113 /nfs/dbraw/zinc/06/61/13/168066113.db2.gz DSKMPMMUWNWWIJ-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN CNc1cccc(Cn2cccn2)c1 62796710 168066140 /nfs/dbraw/zinc/06/61/40/168066140.db2.gz PGCUCUHTKWAFNH-UHFFFAOYSA-N 0 0 187.246 1.973 10 0 ADAERN CNc1cccc(-c2ncncn2)c1 82529956 168066151 /nfs/dbraw/zinc/06/61/51/168066151.db2.gz GSVPLCFBGLUNQW-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1ccc(OCCO)cc1 38056643 168066154 /nfs/dbraw/zinc/06/61/54/168066154.db2.gz ZZHGMJMVNFVGEW-UHFFFAOYSA-N 0 0 167.208 1.099 10 0 ADAERN CNc1ccc(OCC(C)(C)O)cc1 38057253 168066172 /nfs/dbraw/zinc/06/61/72/168066172.db2.gz DEHUFZNBNBSMHR-UHFFFAOYSA-N 0 0 195.262 1.878 10 0 ADAERN CNc1ccc(O)cc1C=O 39062165 168066187 /nfs/dbraw/zinc/06/61/87/168066187.db2.gz VLNDERXCPZQXFQ-UHFFFAOYSA-N 0 0 151.165 1.246 10 0 ADAERN CNc1ccc(OC2CC2)c(OC)n1 95728705 168066191 /nfs/dbraw/zinc/06/61/91/168066191.db2.gz LDPNDCGTRANSHX-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CNc1ccc[nH]1 106621617 168066215 /nfs/dbraw/zinc/06/62/15/168066215.db2.gz RWZJKDJLHGHDGN-UHFFFAOYSA-N 0 0 96.133 1.056 10 0 ADAERN CNc1ccc2nccnc2c1 62796559 168066238 /nfs/dbraw/zinc/06/62/38/168066238.db2.gz GZMXKADHQNGTDY-UHFFFAOYSA-N 0 0 159.192 1.672 10 0 ADAERN CNc1cccc(F)c1CO 39088618 168066259 /nfs/dbraw/zinc/06/62/59/168066259.db2.gz UNCMUWKYPXWFJE-UHFFFAOYSA-N 0 0 155.172 1.360 10 0 ADAERN CNc1ccc(S(C)(=O)=O)cc1C 307724857 168066260 /nfs/dbraw/zinc/06/62/60/168066260.db2.gz ZSLPWWSBKCELEV-UHFFFAOYSA-N 0 0 199.275 1.440 10 0 ADAERN CNc1ccc2c(c1)CCN2C 82710756 168066267 /nfs/dbraw/zinc/06/62/67/168066267.db2.gz GTCQAZSYHFOERW-UHFFFAOYSA-N 0 0 162.236 1.721 10 0 ADAERN CNc1ccc2c(c1)NC(=O)CCO2 105902493 168066277 /nfs/dbraw/zinc/06/62/77/168066277.db2.gz TXKYLXTWZOYKOH-UHFFFAOYSA-N 0 0 192.218 1.449 10 0 ADAERN CNc1ccc(OC(C)C)nc1 40433925 168066279 /nfs/dbraw/zinc/06/62/79/168066279.db2.gz IXYSQHLIZQKYOA-UHFFFAOYSA-N 0 0 166.224 1.911 10 0 ADAERN CNc1ccc2[nH]c(C(N)=O)cc2c1 116675335 168066318 /nfs/dbraw/zinc/06/63/18/168066318.db2.gz KIFXBRNRKDGZKL-UHFFFAOYSA-N 0 0 189.218 1.309 10 0 ADAERN CNc1cccc(C(=O)NC2CC2)n1 51069221 168066320 /nfs/dbraw/zinc/06/63/20/168066320.db2.gz RVWNICBYMURHDL-UHFFFAOYSA-N 0 0 191.234 1.016 10 0 ADAERN CNc1cccc(C)c1O 84426095 168066329 /nfs/dbraw/zinc/06/63/29/168066329.db2.gz ZWZUYJGBGVABBN-UHFFFAOYSA-N 0 0 137.182 1.742 10 0 ADAERN CNc1ccc(OC)c(C=O)c1 216647265 168066363 /nfs/dbraw/zinc/06/63/63/168066363.db2.gz OAPARCSAUPVNQY-UHFFFAOYSA-N 0 0 165.192 1.549 10 0 ADAERN CNc1cccc(-c2nnc(N)o2)c1 82530334 168066365 /nfs/dbraw/zinc/06/63/65/168066365.db2.gz AMLLOXCKOLZULV-UHFFFAOYSA-N 0 0 190.206 1.361 10 0 ADAERN CNc1ccc(OC[C@H](C)O)cc1 38057258 168066428 /nfs/dbraw/zinc/06/64/28/168066428.db2.gz HRHXZXITJDZYHG-QMMMGPOBSA-N 0 0 181.235 1.488 10 0 ADAERN CNc1cccc(Cl)c1N 96373364 168066437 /nfs/dbraw/zinc/06/64/37/168066437.db2.gz JFRWSUJLXZARDA-UHFFFAOYSA-N 0 0 156.616 1.964 10 0 ADAERN CNc1ccc(OC2CC2)c(C=O)n1 95728766 168066466 /nfs/dbraw/zinc/06/64/66/168066466.db2.gz NBZDABQHYIXPJN-UHFFFAOYSA-N 0 0 192.218 1.477 10 0 ADAERN CNc1cccc(-c2nccnn2)c1 82529955 168066469 /nfs/dbraw/zinc/06/64/69/168066469.db2.gz VZXROXFYCAOONF-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1ccc2ncncc2c1 29482673 168066483 /nfs/dbraw/zinc/06/64/83/168066483.db2.gz PWGHYZCBWGVCIO-UHFFFAOYSA-N 0 0 159.192 1.672 10 0 ADAERN CNc1cccc(-c2nncn2C)c1 62796708 168066619 /nfs/dbraw/zinc/06/66/19/168066619.db2.gz NRVFXFIMDOAGBO-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN CNc1ccc(O)cc1N 95721390 168066630 /nfs/dbraw/zinc/06/66/30/168066630.db2.gz VKALDPNKZXSWAY-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN CNc1ccc(O)cc1OC 95722974 168066660 /nfs/dbraw/zinc/06/66/60/168066660.db2.gz QTVFZUCFFNPFLE-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN CNc1ccc2c(c1)ncn2C 83254516 168066673 /nfs/dbraw/zinc/06/66/73/168066673.db2.gz VCDJWTMHPWNEQI-UHFFFAOYSA-N 0 0 161.208 1.615 10 0 ADAERN CNc1cccc(Cn2ccnc2)c1 62796705 168066689 /nfs/dbraw/zinc/06/66/89/168066689.db2.gz RVPHNJUOFBYLIJ-UHFFFAOYSA-N 0 0 187.246 1.973 10 0 ADAERN CNc1ccc2nnc(C3CC3)n2n1 253561440 168066694 /nfs/dbraw/zinc/06/66/94/168066694.db2.gz CCSHDDRKYHKYQR-UHFFFAOYSA-N 0 0 189.222 1.043 10 0 ADAERN CNc1ccc2c(c1)NC(=O)[C@H](C)O2 62796760 168066703 /nfs/dbraw/zinc/06/67/03/168066703.db2.gz RTXNTVDARBBXEW-LURJTMIESA-N 0 0 192.218 1.448 10 0 ADAERN CNc1ccc2nccnc2c1N 2576354 168066705 /nfs/dbraw/zinc/06/67/05/168066705.db2.gz ZKYWREIEORYBJU-UHFFFAOYSA-N 0 0 174.207 1.254 10 0 in-vitro ADAERN CNc1ccc2scnc2c1N 35344281 168066713 /nfs/dbraw/zinc/06/67/13/168066713.db2.gz PTWHUJOOMVTIQI-UHFFFAOYSA-N 0 0 179.248 1.920 10 0 ADAERN CNc1cccc(F)c1O 84426189 168066718 /nfs/dbraw/zinc/06/67/18/168066718.db2.gz HAZGHQJONNUZEW-UHFFFAOYSA-N 0 0 141.145 1.573 10 0 ADAERN CNc1ccc(O)cc1O 39168028 168066739 /nfs/dbraw/zinc/06/67/39/168066739.db2.gz RKNTVFNOECNUEX-UHFFFAOYSA-N 0 0 139.154 1.140 10 0 ADAERN CNc1ccc(OC)c(NC(C)=O)c1 83258386 168066748 /nfs/dbraw/zinc/06/67/48/168066748.db2.gz DCVARQOVBCPSNB-UHFFFAOYSA-N 0 0 194.234 1.695 10 0 ADAERN CNc1cccc(COC)c1 49507939 168066751 /nfs/dbraw/zinc/06/67/51/168066751.db2.gz RVZIRNWJPQXUDG-UHFFFAOYSA-N 0 0 151.209 1.875 10 0 ADAERN CNc1cccc(Cn2cncn2)c1 62796598 168066813 /nfs/dbraw/zinc/06/68/13/168066813.db2.gz YSXPVQMLNNESIX-UHFFFAOYSA-N 0 0 188.234 1.368 10 0 ADAERN CNc1ccc([C@H](C)O)cc1N 253567361 168066838 /nfs/dbraw/zinc/06/68/38/168066838.db2.gz JYUCHFGZOHQHOL-LURJTMIESA-N 0 0 166.224 1.364 10 0 ADAERN CNc1cccc(C(=O)N(C)C)c1O 95723455 168066855 /nfs/dbraw/zinc/06/68/55/168066855.db2.gz ZKRPXOALWOMVJU-UHFFFAOYSA-N 0 0 194.234 1.136 10 0 ADAERN CNc1ccc2c(c1)C(C)(C)C(=O)N2 82588385 168066903 /nfs/dbraw/zinc/06/69/03/168066903.db2.gz BLQWNYGRDSWZFQ-UHFFFAOYSA-N 0 0 190.246 1.958 10 0 ADAERN CNc1ccc(O)cc1N(C)C 95722532 168066905 /nfs/dbraw/zinc/06/69/05/168066905.db2.gz VEBQGSSZZOXROW-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN CNc1ccc(OC2CC2)c(F)n1 95729878 168066941 /nfs/dbraw/zinc/06/69/41/168066941.db2.gz MKXXSCYQMBAAFE-UHFFFAOYSA-N 0 0 182.198 1.804 10 0 ADAERN CNc1cccc(-n2cccn2)c1 62796714 168067004 /nfs/dbraw/zinc/06/70/04/168067004.db2.gz AUQSZYABSMRCAY-UHFFFAOYSA-N 0 0 173.219 1.914 10 0 ADAERN CNc1ccc(OC2CC2)c(C)n1 95728526 168067010 /nfs/dbraw/zinc/06/70/10/168067010.db2.gz ANERCKSRVSNILB-UHFFFAOYSA-N 0 0 178.235 1.973 10 0 ADAERN CNc1cccc(-c2n[nH]c(C)n2)c1 62796592 168067037 /nfs/dbraw/zinc/06/70/37/168067037.db2.gz KEDBEDYJUNBBRL-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN CNc1ccc2c(c1)NC(=O)CO2 82587876 168067040 /nfs/dbraw/zinc/06/70/40/168067040.db2.gz WOFAKHSDCIYSTI-UHFFFAOYSA-N 0 0 178.191 1.059 10 0 ADAERN CNc1ccc(OC)c(OC)c1OC 71452089 168067056 /nfs/dbraw/zinc/06/70/56/168067056.db2.gz NKMPJSJUPPIZPS-UHFFFAOYSA-N 0 0 197.234 1.754 10 0 ADAERN CNc1ccc2c(c1)oc(=O)n2C 77266894 168067073 /nfs/dbraw/zinc/06/70/73/168067073.db2.gz DMWNETMLIRBRHS-UHFFFAOYSA-N 0 0 178.191 1.173 10 0 ADAERN CNc1ccc2c(c1)CC(=O)N2C 71497035 168067115 /nfs/dbraw/zinc/06/71/15/168067115.db2.gz RYVZCPTWVVYYCU-UHFFFAOYSA-N 0 0 176.219 1.247 10 0 ADAERN CNc1ccc2[nH]c(=O)ccc2c1N 75579129 168067117 /nfs/dbraw/zinc/06/71/17/168067117.db2.gz OMGWHDCGTRYRNC-UHFFFAOYSA-N 0 0 189.218 1.152 10 0 ADAERN CNc1ccc2ncn(C)c2c1 76208401 168067119 /nfs/dbraw/zinc/06/71/19/168067119.db2.gz HPCIJWZVWDGNBE-UHFFFAOYSA-N 0 0 161.208 1.615 10 0 ADAERN CNc1ccc2c(c1)c(C)nn2C 35570500 168067164 /nfs/dbraw/zinc/06/71/64/168067164.db2.gz OVAFPPZKJOASJO-UHFFFAOYSA-N 0 0 175.235 1.923 10 0 ADAERN CNc1cccc(C(=O)NC(C)C)n1 51069149 168067175 /nfs/dbraw/zinc/06/71/75/168067175.db2.gz KQENBOQXPVFNBO-UHFFFAOYSA-N 0 0 193.250 1.262 10 0 ADAERN CNc1ccc2c(c1)CC(=O)N2 71495685 168067192 /nfs/dbraw/zinc/06/71/92/168067192.db2.gz TUTQXFKMPSWYOH-UHFFFAOYSA-N 0 0 162.192 1.223 10 0 ADAERN CNc1ccc(OC[C@@H](C)O)cc1 38057259 168067201 /nfs/dbraw/zinc/06/72/01/168067201.db2.gz HRHXZXITJDZYHG-MRVPVSSYSA-N 0 0 181.235 1.488 10 0 ADAERN CNc1ccc2c(c1)NC(=O)CS2 62796833 168067205 /nfs/dbraw/zinc/06/72/05/168067205.db2.gz YDPSLDYRTRVGPK-UHFFFAOYSA-N 0 0 194.259 1.773 10 0 ADAERN CNc1ccc2c(c1)NC(=O)[C@@H](C)O2 62796759 168067212 /nfs/dbraw/zinc/06/72/12/168067212.db2.gz RTXNTVDARBBXEW-ZCFIWIBFSA-N 0 0 192.218 1.448 10 0 ADAERN CNc1ccc(OC2CC2)cn1 95722184 168067241 /nfs/dbraw/zinc/06/72/41/168067241.db2.gz PXCLEULQSNEHCC-UHFFFAOYSA-N 0 0 164.208 1.665 10 0 ADAERN CNc1ccc2ncsc2n1 89229861 168067251 /nfs/dbraw/zinc/06/72/51/168067251.db2.gz ODZDFXLKTDQIOU-UHFFFAOYSA-N 0 0 165.221 1.733 10 0 ADAERN CNc1ccc2[nH]cnc2c1 76208202 168067328 /nfs/dbraw/zinc/06/73/28/168067328.db2.gz NTJGYOSVPMSUGK-UHFFFAOYSA-N 0 0 147.181 1.605 10 0 ADAERN CNc1ccc(O)cc1NC 95721126 168067336 /nfs/dbraw/zinc/06/73/36/168067336.db2.gz ASXLADBJOUBCSZ-UHFFFAOYSA-N 0 0 152.197 1.476 10 0 ADAERN CNc1ccc(OC)cc1C=O 75546693 168067367 /nfs/dbraw/zinc/06/73/67/168067367.db2.gz IUZYAKDPSDWNOX-UHFFFAOYSA-N 0 0 165.192 1.549 10 0 ADAERN CNc1ccc2c(c1)OCCCO2 20043321 168067369 /nfs/dbraw/zinc/06/73/69/168067369.db2.gz DODJKBAPOYAWOM-UHFFFAOYSA-N 0 0 179.219 1.890 10 0 ADAERN CNc1ccc2nccnc2c1C 5159691 168067381 /nfs/dbraw/zinc/06/73/81/168067381.db2.gz NXRPHEZQLSUGTO-UHFFFAOYSA-N 0 0 173.219 1.980 10 0 ADAERN CNc1ccc2ncc(C)nc2c1 39113896 168067386 /nfs/dbraw/zinc/06/73/86/168067386.db2.gz QFVHHODBPIQMQA-UHFFFAOYSA-N 0 0 173.219 1.980 10 0 ADAERN CNc1ccc2oc(=O)[nH]c2c1 62796850 168067394 /nfs/dbraw/zinc/06/73/94/168067394.db2.gz JVPZSFVHUMSZSD-UHFFFAOYSA-N 0 0 164.164 1.163 10 0 ADAERN CNc1ccc2ncc(C)nc2c1N 5161467 168067430 /nfs/dbraw/zinc/06/74/30/168067430.db2.gz HMNOVNDXASSVGB-UHFFFAOYSA-N 0 0 188.234 1.562 10 0 in-vitro ADAERN CNc1cccc(-c2nc[nH]n2)c1 82529327 168067456 /nfs/dbraw/zinc/06/74/56/168067456.db2.gz BDCYTVJBEASRPO-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CNc1ccc(OC)cc1O 95724174 168067460 /nfs/dbraw/zinc/06/74/60/168067460.db2.gz HBBPTIHTOGZMLI-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN CNc1ccc2c(c1)CCC(=O)N2 34072432 168067463 /nfs/dbraw/zinc/06/74/63/168067463.db2.gz UMEHPXXODDSCPN-UHFFFAOYSA-N 0 0 176.219 1.613 10 0 ADAERN CNc1ccc2c(c1)CCN2C(C)=O 62796673 168067491 /nfs/dbraw/zinc/06/74/91/168067491.db2.gz FSCUMZPLDBDNCW-UHFFFAOYSA-N 0 0 190.246 1.637 10 0 ADAERN CNc1ccc(OC)c(C(=O)OC)c1 95936180 168067493 /nfs/dbraw/zinc/06/74/93/168067493.db2.gz DEZPZIGIDLTERV-UHFFFAOYSA-N 0 0 195.218 1.524 10 0 ADAERN CNc1ccc(O)cc1F 84426194 168067502 /nfs/dbraw/zinc/06/75/02/168067502.db2.gz MEQPGGQCIBGKDS-UHFFFAOYSA-N 0 0 141.145 1.573 10 0 ADAERN CNc1cccc(CN(C)C(C)=O)c1 62796838 168067513 /nfs/dbraw/zinc/06/75/13/168067513.db2.gz UKQDXGMAXWNOIX-UHFFFAOYSA-N 0 0 192.262 1.707 10 0 ADAERN CNc1ccc2c(c1)C(=O)OC2 90505423 168067550 /nfs/dbraw/zinc/06/75/50/168067550.db2.gz HKZDULJCAZKDQE-UHFFFAOYSA-N 0 0 163.176 1.399 10 0 ADAERN CNc1ccc2nc(C)cnc2c1 39113895 168067567 /nfs/dbraw/zinc/06/75/67/168067567.db2.gz RQOIYPFXIODRJO-UHFFFAOYSA-N 0 0 173.219 1.980 10 0 ADAERN CNc1ccc(OC)c(O)c1 62796855 168067605 /nfs/dbraw/zinc/06/76/05/168067605.db2.gz BNKVUVUFEOSXCQ-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN CNc1ccc(OC2CC2)cc1N 95729588 168067624 /nfs/dbraw/zinc/06/76/24/168067624.db2.gz SMFBFAQGDCNICN-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN CNc1ccc(OC2CC2)c(N)c1 95729154 168067629 /nfs/dbraw/zinc/06/76/29/168067629.db2.gz BUYIBDOPTDRBJV-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN CNc1ccc2c(c1)NC(=O)CC2 83253712 168067669 /nfs/dbraw/zinc/06/76/69/168067669.db2.gz FGZPNJVXSJYEKP-UHFFFAOYSA-N 0 0 176.219 1.613 10 0 ADAERN CNc1ccc([C@@H](C)O)cc1N 253567364 168067687 /nfs/dbraw/zinc/06/76/87/168067687.db2.gz JYUCHFGZOHQHOL-ZCFIWIBFSA-N 0 0 166.224 1.364 10 0 ADAERN CNc1ccc2c(c1)CCC2=O 32200353 168067720 /nfs/dbraw/zinc/06/77/20/168067720.db2.gz DPWPARDMGYNCTF-UHFFFAOYSA-N 0 0 161.204 1.857 10 0 ADAERN CNc1cccc(C=O)c1O 95719727 168067735 /nfs/dbraw/zinc/06/77/35/168067735.db2.gz RQRRVJFHTMXQJC-UHFFFAOYSA-N 0 0 151.165 1.246 10 0 ADAERN CNc1cccc(-n2ccnc2)c1 62796741 168067743 /nfs/dbraw/zinc/06/77/43/168067743.db2.gz FBUXHTIGGNDDHK-UHFFFAOYSA-N 0 0 173.219 1.914 10 0 ADAERN CNc1ccnc(SC)n1 101233542 168067760 /nfs/dbraw/zinc/06/77/60/168067760.db2.gz CQTLSDXBZIYVOJ-UHFFFAOYSA-N 0 0 155.226 1.240 10 0 ADAERN CNc1cccc(NC(=O)COC)c1 62796813 168067785 /nfs/dbraw/zinc/06/77/85/168067785.db2.gz OAVDDAPVJRHFGN-UHFFFAOYSA-N 0 0 194.234 1.313 10 0 ADAERN CNc1ccnc(CSC)n1 54497225 168067786 /nfs/dbraw/zinc/06/77/86/168067786.db2.gz QRSQTWRRYFUINR-UHFFFAOYSA-N 0 0 169.253 1.381 10 0 ADAERN CNc1cccnc1OC(C)C 42392270 168067810 /nfs/dbraw/zinc/06/78/10/168067810.db2.gz YOQZIVMUHPKMQY-UHFFFAOYSA-N 0 0 166.224 1.911 10 0 ADAERN CNc1cnc(C=O)cc1OC1CC1 95728813 168067830 /nfs/dbraw/zinc/06/78/30/168067830.db2.gz FDNTWUFJAYVJIK-UHFFFAOYSA-N 0 0 192.218 1.477 10 0 ADAERN CNc1cccsc1=O 5914249 168067833 /nfs/dbraw/zinc/06/78/33/168067833.db2.gz VOWGYWFLVVGRCF-UHFFFAOYSA-N 0 0 141.195 1.150 10 0 ADAERN CNc1ccnc(N2CCCC2)n1 50852719 168067862 /nfs/dbraw/zinc/06/78/62/168067862.db2.gz WOWHHZZPQHURPH-UHFFFAOYSA-N 0 0 178.239 1.119 10 0 ADAERN CNc1ccnc(OC)c1OC1CC1 95729957 168067874 /nfs/dbraw/zinc/06/78/74/168067874.db2.gz UDXONXBTXQIQPJ-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CNc1cccc(O)c1C(=O)N(C)C 95712668 168067879 /nfs/dbraw/zinc/06/78/79/168067879.db2.gz FJOUWHQHWXJQJY-UHFFFAOYSA-N 0 0 194.234 1.136 10 0 ADAERN CNc1cnc(Br)nc1 95775928 168067918 /nfs/dbraw/zinc/06/79/18/168067918.db2.gz PATDXACZPJZIEJ-UHFFFAOYSA-N 0 0 188.028 1.281 10 0 ADAERN CNc1ccnc(-c2cccnc2)n1 50852583 168067928 /nfs/dbraw/zinc/06/79/28/168067928.db2.gz HBWCQDFFGGXHEX-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1cccc(N2CCCC2=O)c1 62796639 168067936 /nfs/dbraw/zinc/06/79/36/168067936.db2.gz RQCWDTOHXNHDON-UHFFFAOYSA-N 0 0 190.246 1.855 10 0 ADAERN CNc1ccnc(C=O)c1OC1CC1 95729319 168067942 /nfs/dbraw/zinc/06/79/42/168067942.db2.gz UCEPVZXAWUIEGD-UHFFFAOYSA-N 0 0 192.218 1.477 10 0 ADAERN CNc1ccnc(C2CC2)n1 50852574 168067958 /nfs/dbraw/zinc/06/79/58/168067958.db2.gz MOWIAYCAPDLDPI-UHFFFAOYSA-N 0 0 149.197 1.396 10 0 ADAERN CNc1cncc(-c2cccnc2)n1 61906186 168067992 /nfs/dbraw/zinc/06/79/92/168067992.db2.gz AHAMGROYNXMYAA-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1ccccc1CCO 35565044 168068142 /nfs/dbraw/zinc/06/81/42/168068142.db2.gz LQUXNHDBCOAWLB-UHFFFAOYSA-N 0 0 151.209 1.263 10 0 ADAERN CNc1ccnc(F)c1OC1CC1 95728163 168068150 /nfs/dbraw/zinc/06/81/50/168068150.db2.gz JBTNMVMFXWLYLX-UHFFFAOYSA-N 0 0 182.198 1.804 10 0 ADAERN CNc1cccc(NC)c1O 95720976 168068157 /nfs/dbraw/zinc/06/81/57/168068157.db2.gz UZHFIWPBCJWJOA-UHFFFAOYSA-N 0 0 152.197 1.476 10 0 ADAERN CNc1cccc(OC)c1O 95724818 168068201 /nfs/dbraw/zinc/06/82/01/168068201.db2.gz JOUVDSVAEMMOOI-UHFFFAOYSA-N 0 0 153.181 1.443 10 0 ADAERN CNc1cn2c(C)csc2n1 71791766 168068221 /nfs/dbraw/zinc/06/82/21/168068221.db2.gz KBQYOJKQBWDBFE-UHFFFAOYSA-N 0 0 167.237 1.746 10 0 ADAERN CNc1ccccc1-c1nncn1C 54497560 168068228 /nfs/dbraw/zinc/06/82/28/168068228.db2.gz HJDPDNSRUFISAL-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN CNc1cccc(N)c1OC1CC1 95729370 168068243 /nfs/dbraw/zinc/06/82/43/168068243.db2.gz WPKGQAZLFCGCFJ-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN CNc1cccc2ocnc12 5329207 168068266 /nfs/dbraw/zinc/06/82/66/168068266.db2.gz VWAYKWCZWMLEMP-UHFFFAOYSA-N 0 0 148.165 1.870 10 0 ADAERN CNc1cnc2c(c1)c(C)nn2C 62796843 168068272 /nfs/dbraw/zinc/06/82/72/168068272.db2.gz LPFOJGJZJOSYCS-UHFFFAOYSA-N 0 0 176.223 1.318 10 0 ADAERN CNc1cccc2c1OCCC2=O 306420558 168068280 /nfs/dbraw/zinc/06/82/80/168068280.db2.gz GCLLMFQUBHUZSF-UHFFFAOYSA-N 0 0 177.203 1.694 10 0 ADAERN CNc1ccnc([C@H]2CCOC2)n1 51691654 168068283 /nfs/dbraw/zinc/06/82/83/168068283.db2.gz RZRHFLPJBGJBBB-ZETCQYMHSA-N 0 0 179.223 1.022 10 0 ADAERN CNc1ccccc1-n1ccnn1 62796733 168068293 /nfs/dbraw/zinc/06/82/93/168068293.db2.gz DVHZABJBDLITLP-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN CNc1ccccc1[C@@H](C)O 62796916 168068311 /nfs/dbraw/zinc/06/83/11/168068311.db2.gz FNUJMWZFEZQNMH-SSDOTTSWSA-N 0 0 151.209 1.782 10 0 ADAERN CNc1ccnc(-c2ccccn2)n1 50852603 168068320 /nfs/dbraw/zinc/06/83/20/168068320.db2.gz OYCBBZSFLVNOIU-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CNc1cnc(OC)cc1OC1CC1 95730326 168068337 /nfs/dbraw/zinc/06/83/37/168068337.db2.gz QYGHJWKNGTWLHV-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CNc1ccnc([C@@H]2CCOC2)n1 51691653 168068348 /nfs/dbraw/zinc/06/83/48/168068348.db2.gz RZRHFLPJBGJBBB-SSDOTTSWSA-N 0 0 179.223 1.022 10 0 ADAERN CNc1cccc(N)c1C 62724069 168068372 /nfs/dbraw/zinc/06/83/72/168068372.db2.gz IBCHQTPSKZPOQD-UHFFFAOYSA-N 0 0 136.198 1.619 10 0 ADAERN CNc1ccccc1-c1n[nH]c(C)n1 48630558 168068419 /nfs/dbraw/zinc/06/84/19/168068419.db2.gz ZSGHSXCREDYAGK-UHFFFAOYSA-N 0 0 188.234 1.822 10 0 ADAERN CNc1cccc2c1OCCO2 95932879 168068436 /nfs/dbraw/zinc/06/84/36/168068436.db2.gz HHRYEPMEWPMMFG-UHFFFAOYSA-N 0 0 165.192 1.500 10 0 ADAERN CNc1ccccc1Cn1cccn1 62796786 168068462 /nfs/dbraw/zinc/06/84/62/168068462.db2.gz BQSSBOOZUQUXSX-UHFFFAOYSA-N 0 0 187.246 1.973 10 0 ADAERN CNc1cccc(N2CCNC2=O)c1 62796791 168068470 /nfs/dbraw/zinc/06/84/70/168068470.db2.gz IPJMVWQTQXYDKP-UHFFFAOYSA-N 0 0 191.234 1.258 10 0 ADAERN CNc1cnc(OC)c(OC2CC2)c1 95730451 168068480 /nfs/dbraw/zinc/06/84/80/168068480.db2.gz FQHTWLPJXHAXGU-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CNc1ccccc1-c1nc(N)n[nH]1 41050732 168068492 /nfs/dbraw/zinc/06/84/92/168068492.db2.gz VJRLYLHFXDVRDC-UHFFFAOYSA-N 0 0 189.222 1.096 10 0 ADAERN CNc1cnc2cc(F)c(F)cc2n1 306547279 168068538 /nfs/dbraw/zinc/06/85/38/168068538.db2.gz CAZZYRHQQAIYER-UHFFFAOYSA-N 0 0 195.172 1.950 10 0 ADAERN CNc1ccnc(CC(F)(F)F)n1 50852780 168068628 /nfs/dbraw/zinc/06/86/28/168068628.db2.gz WMZWTSZQYIAQHS-UHFFFAOYSA-N 0 0 191.156 1.623 10 0 ADAERN CNc1ccnc(C(=O)NC(C)C)c1 50724977 168068656 /nfs/dbraw/zinc/06/86/56/168068656.db2.gz XGVUNZSHZHAEKK-UHFFFAOYSA-N 0 0 193.250 1.262 10 0 ADAERN CNc1ccccc1C(C)(C)O 5284425 168068666 /nfs/dbraw/zinc/06/86/66/168068666.db2.gz FYZZCNZIYQITAQ-UHFFFAOYSA-N 0 0 165.236 1.956 10 0 ADAERN CNc1ccccc1-c1nc[nH]n1 42041040 168068678 /nfs/dbraw/zinc/06/86/78/168068678.db2.gz AXCVMDWZMLPMPS-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CNc1cccc(N(C)C(C)=O)c1 83255615 168068688 /nfs/dbraw/zinc/06/86/88/168068688.db2.gz OJLPOQSAKXIHOV-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN CNc1cnc(N)c(OC2CC2)c1 95728327 168068694 /nfs/dbraw/zinc/06/86/94/168068694.db2.gz GBIWXWILYHHDOP-UHFFFAOYSA-N 0 0 179.223 1.247 10 0 ADAERN CNc1cccc(O)c1F 84426191 168068705 /nfs/dbraw/zinc/06/87/05/168068705.db2.gz PKMXLBIAMPRJGN-UHFFFAOYSA-N 0 0 141.145 1.573 10 0 ADAERN CNc1ccccc1-c1c[nH]nn1 95560789 168068739 /nfs/dbraw/zinc/06/87/39/168068739.db2.gz NFYSFMFKJXQDRX-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CNc1cccc(N(C)C)c1O 95719612 168068772 /nfs/dbraw/zinc/06/87/72/168068772.db2.gz BBZHPVNCVSMTKQ-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN CNc1cccc2c1oc(=O)n2C 306497234 168068796 /nfs/dbraw/zinc/06/87/96/168068796.db2.gz AMYLIIPDAYAGEO-UHFFFAOYSA-N 0 0 178.191 1.173 10 0 ADAERN CNc1cccc(O)c1NC 95724416 168068797 /nfs/dbraw/zinc/06/87/97/168068797.db2.gz LCYCZHVEVUZVFR-UHFFFAOYSA-N 0 0 152.197 1.476 10 0 ADAERN CNc1cnc(C)cc1OC1CC1 95730763 168068806 /nfs/dbraw/zinc/06/88/06/168068806.db2.gz OQTXBCBCOWBVPH-UHFFFAOYSA-N 0 0 178.235 1.973 10 0 ADAERN CNc1cccn1C 106621651 168068830 /nfs/dbraw/zinc/06/88/30/168068830.db2.gz IWYMNQGEYJPMOT-UHFFFAOYSA-N 0 0 110.160 1.067 10 0 ADAERN CNc1cccc(O)c1N 95722759 168068856 /nfs/dbraw/zinc/06/88/56/168068856.db2.gz ZNXARQKVXCQRPZ-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN CNc1cnc(F)c(OC2CC2)c1 95730619 168068874 /nfs/dbraw/zinc/06/88/74/168068874.db2.gz HKYAGPOKSIOMIV-UHFFFAOYSA-N 0 0 182.198 1.804 10 0 ADAERN CNc1ccccc1[C@H](C)O 62796915 168068877 /nfs/dbraw/zinc/06/88/77/168068877.db2.gz FNUJMWZFEZQNMH-ZETCQYMHSA-N 0 0 151.209 1.782 10 0 ADAERN CNc1cccc(O)c1N(C)C 95720579 168068895 /nfs/dbraw/zinc/06/88/95/168068895.db2.gz CTXQRUWKFYSBKC-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN CNc1ccnc(C[C@@H]2CCCO2)n1 50852590 168068899 /nfs/dbraw/zinc/06/88/99/168068899.db2.gz QMQPRFBDYITWEZ-QMMMGPOBSA-N 0 0 193.250 1.240 10 0 ADAERN CNc1ccnc(C[C@H]2CCCO2)n1 50852593 168068908 /nfs/dbraw/zinc/06/89/08/168068908.db2.gz QMQPRFBDYITWEZ-MRVPVSSYSA-N 0 0 193.250 1.240 10 0 ADAERN CNc1cccc(N2CCOC2=O)c1 62796875 168068924 /nfs/dbraw/zinc/06/89/24/168068924.db2.gz 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/nfs/dbraw/zinc/07/00/24/168070024.db2.gz MEXIETSKLYTUKH-UHFFFAOYSA-N 0 0 195.247 1.225 10 0 ADAERN CNc1nc(C)ncc1C 39053146 168070032 /nfs/dbraw/zinc/07/00/32/168070032.db2.gz XBQHHKVUQMLHJZ-UHFFFAOYSA-N 0 0 137.186 1.135 10 0 ADAERN CNc1cncc(OC2CC2)c1OC 95730970 168070094 /nfs/dbraw/zinc/07/00/94/168070094.db2.gz SXTZLOYPBIYKHK-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CNc1nc(CCOC)nc(C)c1C 50864157 168070103 /nfs/dbraw/zinc/07/01/03/168070103.db2.gz FNVLFPBYHYAQMD-UHFFFAOYSA-N 0 0 195.266 1.324 10 0 ADAERN CNc1cncc(N)c1OC1CC1 95730439 168070148 /nfs/dbraw/zinc/07/01/48/168070148.db2.gz FCOIEPPPXKQRGA-UHFFFAOYSA-N 0 0 179.223 1.247 10 0 ADAERN CNc1nc(Cc2ccncc2)no1 53750082 168070184 /nfs/dbraw/zinc/07/01/84/168070184.db2.gz HLWZREJZVAJTBD-UHFFFAOYSA-N 0 0 190.206 1.097 10 0 ADAERN CNc1nc(=O)c2cccnc2s1 38890431 168070234 /nfs/dbraw/zinc/07/02/34/168070234.db2.gz KCTUKIVJLFEVSY-UHFFFAOYSA-N 0 0 193.231 1.093 10 0 ADAERN CNc1cncc(OC2CC2)c1 95722183 168070254 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/nfs/dbraw/zinc/07/44/74/168074474.db2.gz RCNFWEXVXKYFNM-UHFFFAOYSA-N 0 0 179.248 1.872 10 0 ADAERN CNc1nnc2cc(C)ccc2n1 196710004 168074479 /nfs/dbraw/zinc/07/44/79/168074479.db2.gz QXJUBCIJPJYWBG-UHFFFAOYSA-N 0 0 174.207 1.375 10 0 ADAERN CNc1ncnc2ccc(C=O)cc12 90505716 168074488 /nfs/dbraw/zinc/07/44/88/168074488.db2.gz SNMFIYKCKOAVPZ-UHFFFAOYSA-N 0 0 187.202 1.484 10 0 ADAERN CNn1cnc2ccccc21 24409623 168074495 /nfs/dbraw/zinc/07/44/95/168074495.db2.gz IZZHTEJYHVCMDF-UHFFFAOYSA-N 0 0 147.181 1.210 10 0 ADAERN CNn1cnc2ccc(Cl)cc21 95924418 168074498 /nfs/dbraw/zinc/07/44/98/168074498.db2.gz MNEPNCXFCMYYJH-UHFFFAOYSA-N 0 0 181.626 1.863 10 0 ADAERN CNc1snnc1CSC 50839164 168074537 /nfs/dbraw/zinc/07/45/37/168074537.db2.gz CYTOWLTWSPYWEA-UHFFFAOYSA-N 0 0 175.282 1.443 10 0 ADAERN CO/C=C1/C(=O)Nc2ccccc21 19899225 168075007 /nfs/dbraw/zinc/07/50/07/168075007.db2.gz HADLWFHBSKPXBJ-SOFGYWHQSA-N 0 0 175.187 1.626 10 0 ADAERN CO/C=C\c1ccc(OC)nc1 39089568 168075028 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UEBSIYVMNDGJOV-FNORWQNLSA-N 0 0 157.213 1.048 10 0 ADAERN COC(=N)Cc1ccc(F)cc1 5179897 168076164 /nfs/dbraw/zinc/07/61/64/168076164.db2.gz PVXCPVHHMBWLKY-UHFFFAOYSA-N 0 0 167.183 1.992 10 0 ADAERN COC(=O)C(Cl)=C(Cl)C(N)=O 38194611 168076194 /nfs/dbraw/zinc/07/61/94/168076194.db2.gz DQXKFQZCPYSRDG-NSCUHMNNSA-N 0 0 198.005 1.384 10 0 ADAERN COC(=N)c1ccc(OC)c(C)c1 50597256 168076196 /nfs/dbraw/zinc/07/61/96/168076196.db2.gz CAVAMWQUTKMQEI-UHFFFAOYSA-N 0 0 179.219 1.975 10 0 ADAERN COC(=N)c1ccc2c(c1)CCCO2 77276000 168076209 /nfs/dbraw/zinc/07/62/09/168076209.db2.gz PUYKBYHTXDUHGB-UHFFFAOYSA-N 0 0 191.230 1.983 10 0 ADAERN COC(=N)c1ccc(OC)c(O)c1 37928054 168076227 /nfs/dbraw/zinc/07/62/27/168076227.db2.gz TXIHFRYHZCGMKP-UHFFFAOYSA-N 0 0 181.191 1.373 10 0 ADAERN COC(=N)Cc1ccccn1 37927970 168076238 /nfs/dbraw/zinc/07/62/38/168076238.db2.gz RPZQMCYNPVRJHI-UHFFFAOYSA-N 0 0 150.181 1.248 10 0 ADAERN COC(=O)/C=C(/C)F 91301314 168076259 /nfs/dbraw/zinc/07/62/59/168076259.db2.gz 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/nfs/dbraw/zinc/07/63/54/168076354.db2.gz CWIXGJHHTDHCBW-UHFFFAOYSA-N 0 0 183.182 1.806 10 0 ADAERN COC(=N)c1cc(C)ccc1OC 77267448 168076362 /nfs/dbraw/zinc/07/63/62/168076362.db2.gz DZFCLKDGJLBUFO-UHFFFAOYSA-N 0 0 179.219 1.975 10 0 ADAERN COC(=O)/C=C(/C)c1ccoc1 133867654 168076385 /nfs/dbraw/zinc/07/63/85/168076385.db2.gz DNCHFJOZPHOUEF-ALCCZGGFSA-N 0 0 166.176 1.856 10 0 ADAERN COC(=N)c1cccc(O)c1 5064283 168076398 /nfs/dbraw/zinc/07/63/98/168076398.db2.gz WBWKXPHEWOZSJP-UHFFFAOYSA-N 0 0 151.165 1.364 10 0 ADAERN COC(=N)c1ccc(OC)cc1 37859071 168076408 /nfs/dbraw/zinc/07/64/08/168076408.db2.gz JPCHJRKCOOXHTP-UHFFFAOYSA-N 0 0 165.192 1.667 10 0 ADAERN COC(=N)c1ccc(F)cc1F 77264206 168076432 /nfs/dbraw/zinc/07/64/32/168076432.db2.gz JKUGBTONCYELBO-UHFFFAOYSA-N 0 0 171.146 1.937 10 0 ADAERN COC(=N)c1cc(F)ccc1F 77264202 168076450 /nfs/dbraw/zinc/07/64/50/168076450.db2.gz WYFDGQUCTTWQIL-UHFFFAOYSA-N 0 0 171.146 1.937 10 0 ADAERN COC(=N)c1ccc2[nH]c(=O)oc2c1 77276692 168076471 /nfs/dbraw/zinc/07/64/71/168076471.db2.gz HOQIADHAPYCCBX-UHFFFAOYSA-N 0 0 192.174 1.093 10 0 ADAERN COC(=O)/C=C(/C)c1ccccn1 133838775 168076509 /nfs/dbraw/zinc/07/65/09/168076509.db2.gz OFLPNKBAAYZEND-FPLPWBNLSA-N 0 0 177.203 1.658 10 0 ADAERN COC(=N)c1cccc(N)c1 95757684 168076523 /nfs/dbraw/zinc/07/65/23/168076523.db2.gz DUGKVDGQJDZEKT-UHFFFAOYSA-N 0 0 150.181 1.241 10 0 ADAERN COC(=N)c1ccc2oc(=O)[nH]c2c1 77276695 168076548 /nfs/dbraw/zinc/07/65/48/168076548.db2.gz LNLBGHXHUNKFHI-UHFFFAOYSA-N 0 0 192.174 1.093 10 0 ADAERN COC(=N)c1ccc(N)cc1 39090820 168076573 /nfs/dbraw/zinc/07/65/73/168076573.db2.gz LTTHEOPBMKOLRK-UHFFFAOYSA-N 0 0 150.181 1.241 10 0 ADAERN COC(=N)c1cccc(OCCO)c1 39090541 168076578 /nfs/dbraw/zinc/07/65/78/168076578.db2.gz JIEYFPTUXXQLNR-UHFFFAOYSA-N 0 0 195.218 1.029 10 0 ADAERN COC(=N)c1cc(C)[nH]c1C 77260657 168076589 /nfs/dbraw/zinc/07/65/89/168076589.db2.gz OEFMIDMGXODHRV-UHFFFAOYSA-N 0 0 152.197 1.603 10 0 ADAERN COC(=N)c1ccc2c(c1)OCCO2 37928103 168076606 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/nfs/dbraw/zinc/07/71/48/168077148.db2.gz CBWBSOPONZTYPA-UHFFFAOYSA-N 0 0 165.192 1.667 10 0 ADAERN COC(=N)c1ccc(OCCO)cc1 39090501 168077187 /nfs/dbraw/zinc/07/71/87/168077187.db2.gz AWALLWPGCLUWRP-UHFFFAOYSA-N 0 0 195.218 1.029 10 0 ADAERN COC(=N)C[C@@H]1CCCO1 37927973 168077192 /nfs/dbraw/zinc/07/71/92/168077192.db2.gz JUFMXAXCSWSMNS-LURJTMIESA-N 0 0 143.186 1.179 10 0 ADAERN COC(=N)c1cccc(F)c1 34345822 168077200 /nfs/dbraw/zinc/07/72/00/168077200.db2.gz VXBACJSQXSIVSE-UHFFFAOYSA-N 0 0 153.156 1.797 10 0 ADAERN COC(=N)Cc1ccc2c(c1)OCO2 71506249 168077204 /nfs/dbraw/zinc/07/72/04/168077204.db2.gz VRFCQGDQJODOPX-UHFFFAOYSA-N 0 0 193.202 1.581 10 0 ADAERN COC(=N)n1cnc2ccccc21 45238357 168077252 /nfs/dbraw/zinc/07/72/52/168077252.db2.gz DOZOWGKRLZKQRI-UHFFFAOYSA-N 0 0 175.191 1.466 10 0 ADAERN COC(=N)c1ccc(F)c(F)c1 37927993 168077303 /nfs/dbraw/zinc/07/73/03/168077303.db2.gz KEZBQJPXKSAYJQ-UHFFFAOYSA-N 0 0 171.146 1.937 10 0 ADAERN COC(=N)Cc1ccc(OC)cc1 42390260 168077390 /nfs/dbraw/zinc/07/73/90/168077390.db2.gz YCSMCWNXTKCHHD-UHFFFAOYSA-N 0 0 179.219 1.861 10 0 ADAERN COC(=N)c1ccc(OC)cc1OC 37928062 168077454 /nfs/dbraw/zinc/07/74/54/168077454.db2.gz OZCMGFLXIZSFMI-UHFFFAOYSA-N 0 0 195.218 1.676 10 0 ADAERN COC(=N)Cc1ccccc1F 49671462 168077471 /nfs/dbraw/zinc/07/74/71/168077471.db2.gz CFOVUTMTASGBRZ-UHFFFAOYSA-N 0 0 167.183 1.992 10 0 ADAERN COC(=N)c1c(C)nn(C)c1C 37928097 168077496 /nfs/dbraw/zinc/07/74/96/168077496.db2.gz DPPAPZORUAHION-UHFFFAOYSA-N 0 0 167.212 1.009 10 0 ADAERN COC(=N)c1ccsc1 34497699 168077503 /nfs/dbraw/zinc/07/75/03/168077503.db2.gz PQJPXXNRGXRFPF-UHFFFAOYSA-N 0 0 141.195 1.720 10 0 ADAERN COC(=N)c1c(C)noc1C 37928067 168077515 /nfs/dbraw/zinc/07/75/15/168077515.db2.gz MZYJPEJWHHWKQG-UHFFFAOYSA-N 0 0 154.169 1.263 10 0 ADAERN COC(=N)c1ccc(C)o1 37928070 168077549 /nfs/dbraw/zinc/07/75/49/168077549.db2.gz PFDATPCLKKZGIB-UHFFFAOYSA-N 0 0 139.154 1.560 10 0 ADAERN COC(=N)c1ccccc1F 39088552 168077551 /nfs/dbraw/zinc/07/75/51/168077551.db2.gz IXRBMOZEBBEJSN-UHFFFAOYSA-N 0 0 153.156 1.797 10 0 ADAERN COC(=N)c1ccc(N(C)C)cc1 37928043 168077554 /nfs/dbraw/zinc/07/75/54/168077554.db2.gz FKLAFEKYUIMBQV-UHFFFAOYSA-N 0 0 178.235 1.724 10 0 ADAERN COC(=N)c1cc(F)cc(F)c1 43388099 168077563 /nfs/dbraw/zinc/07/75/63/168077563.db2.gz FNHQJWUPEUWGOZ-UHFFFAOYSA-N 0 0 171.146 1.937 10 0 ADAERN COC(=N)Cc1cccc(OC)c1 40907680 168077569 /nfs/dbraw/zinc/07/75/69/168077569.db2.gz SICDVDNOMLZIRQ-UHFFFAOYSA-N 0 0 179.219 1.861 10 0 ADAERN COC(=N)c1ccc(OC)c(OC)c1 37927992 168077574 /nfs/dbraw/zinc/07/75/74/168077574.db2.gz AEBLZIABAZACRI-UHFFFAOYSA-N 0 0 195.218 1.676 10 0 ADAERN COC(=N)c1ccc2c(c1)CCN2C 50286185 168077586 /nfs/dbraw/zinc/07/75/86/168077586.db2.gz QGRIKKMRLAAHBL-UHFFFAOYSA-N 0 0 190.246 1.651 10 0 ADAERN COC(=N)c1ccc2c(c1)CC(=O)N2 77274906 168077588 /nfs/dbraw/zinc/07/75/88/168077588.db2.gz LNUSGNGOIKTGFO-UHFFFAOYSA-N 0 0 190.202 1.153 10 0 ADAERN COC(=O)C=C(N)c1ccc(F)cc1 100389234 168077592 /nfs/dbraw/zinc/07/75/92/168077592.db2.gz PBMNTKWQPYMDHA-RMKNXTFCSA-N 0 0 195.193 1.298 10 0 ADAERN COC(=N)c1cccc(C)c1 37927969 168077608 /nfs/dbraw/zinc/07/76/08/168077608.db2.gz PRCCMNGXNDKPRC-UHFFFAOYSA-N 0 0 149.193 1.967 10 0 ADAERN COC(=O)/C=C/C1=CCCC1 2506551 168077799 /nfs/dbraw/zinc/07/77/99/168077799.db2.gz QTKPJQLBCMHWQI-VOTSOKGWSA-N 0 0 152.193 1.826 10 0 ADAERN COC(=O)/C=C/Cc1c(C)n[nH]c1C 98213299 168077820 /nfs/dbraw/zinc/07/78/20/168077820.db2.gz ULZRQKWJCRNARJ-GQCTYLIASA-N 0 0 194.234 1.298 10 0 ADAERN COC(=O)C=CNc1ccccc1N 75580713 168077825 /nfs/dbraw/zinc/07/78/25/168077825.db2.gz QEVKTNWOFHHPGW-VOTSOKGWSA-N 0 0 192.218 1.367 10 0 ADAERN COC(=O)/C=C\c1cc(C)on1 39113265 168077847 /nfs/dbraw/zinc/07/78/47/168077847.db2.gz YWJPGBKMCHXMJK-ARJAWSKDSA-N 0 0 167.164 1.169 10 0 ADAERN COC(=O)/C=C\c1cc(C)cnc1N 95909045 168078001 /nfs/dbraw/zinc/07/80/01/168078001.db2.gz CPHYEAKEGDBOMK-ARJAWSKDSA-N 0 0 192.218 1.158 10 0 ADAERN COC(=O)/C=C\c1ccccc1OC 36372735 168078118 /nfs/dbraw/zinc/07/81/18/168078118.db2.gz FCMNDLLGEGVMQQ-FPLPWBNLSA-N 0 0 192.214 1.881 10 0 ADAERN COC(=O)/C=C(\C)c1ccncc1 238855700 168078169 /nfs/dbraw/zinc/07/81/69/168078169.db2.gz SSEZPUXYGJOUOC-UHFFFAOYSA-N 0 0 177.203 1.658 10 0 ADAERN COC(=O)/C=C/c1cc(C)ccc1O 75580595 168078201 /nfs/dbraw/zinc/07/82/01/168078201.db2.gz NPEFTDJPTGJDCO-GQCTYLIASA-N 0 0 192.214 1.887 10 0 ADAERN COC(=O)/C=C/c1sccc1N 75576267 168078222 /nfs/dbraw/zinc/07/82/22/168078222.db2.gz OZSVKDXTHNPNKD-NSCUHMNNSA-N 0 0 183.232 1.517 10 0 ADAERN COC(=O)/C=C/c1ccc(N)cc1C 75580114 168078244 /nfs/dbraw/zinc/07/82/44/168078244.db2.gz KCMPXBBXFOJVHV-GQCTYLIASA-N 0 0 191.230 1.763 10 0 ADAERN COC(=O)/C=C/c1occc1C 84817871 168078266 /nfs/dbraw/zinc/07/82/66/168078266.db2.gz RMSAWQAPKIRNPH-ONEGZZNKSA-N 0 0 166.176 1.774 10 0 ADAERN COC(=O)/C=C\c1cncc(OC)c1 77020719 168078296 /nfs/dbraw/zinc/07/82/96/168078296.db2.gz WRAKFCLGWVROJC-ARJAWSKDSA-N 0 0 193.202 1.276 10 0 ADAERN COC(=O)/C=C\c1ccccc1N 95913239 168078310 /nfs/dbraw/zinc/07/83/10/168078310.db2.gz TUQBDQPPBVABFN-SREVYHEPSA-N 0 0 177.203 1.455 10 0 ADAERN COC(=O)/C=C\C1CC1 95740531 168078317 /nfs/dbraw/zinc/07/83/17/168078317.db2.gz IPOOZKZLEDMDSB-PLNGDYQASA-N 0 0 126.155 1.126 10 0 ADAERN COC(=O)/C=C1\C=CC=CN1C 17125135 168078383 /nfs/dbraw/zinc/07/83/83/168078383.db2.gz BRIRBMVQJSWOKR-BQYQJAHWSA-N 0 0 165.192 1.059 10 0 ADAERN COC(=O)/C=C/N1CCCCCCC1 34611730 168078403 /nfs/dbraw/zinc/07/84/03/168078403.db2.gz BSMKSMGFRZOZHC-JXMROGBWSA-N 0 0 197.278 1.939 10 0 ADAERN COC(=O)/C=C/c1cccc(C=O)c1 39238797 168078433 /nfs/dbraw/zinc/07/84/33/168078433.db2.gz YOYGVRUWDSVHPD-AATRIKPKSA-N 0 0 190.198 1.685 10 0 ADAERN COC(=O)/C=C\c1cnccc1Cl 95909047 168078448 /nfs/dbraw/zinc/07/84/48/168078448.db2.gz VIGHFUPVCJZKGK-IHWYPQMZSA-N 0 0 197.621 1.921 10 0 ADAERN COC(=O)/C=C/COc1ccccc1 32302061 168078475 /nfs/dbraw/zinc/07/84/75/168078475.db2.gz HHDPWFZWUPQTGD-VMPITWQZSA-N 0 0 192.214 1.795 10 0 ADAERN COC(=O)C=CNc1ccccc1O 39318365 168078590 /nfs/dbraw/zinc/07/85/90/168078590.db2.gz MGZZGSDKWOCVIH-SREVYHEPSA-N 0 0 193.202 1.491 10 0 ADAERN COC(=O)/C=C/c1ccc(C)o1 24737747 168078685 /nfs/dbraw/zinc/07/86/85/168078685.db2.gz GKCKXICSLSTPSJ-AATRIKPKSA-N 0 0 166.176 1.774 10 0 ADAERN COC(=O)/C=C/N(C)c1ccccc1 33843807 168078708 /nfs/dbraw/zinc/07/87/08/168078708.db2.gz UOOQICQDTDRLNT-CMDGGOBGSA-N 0 0 191.230 1.810 10 0 ADAERN COC(=O)/C=C/c1cc(O)cc(O)c1 40504159 168078741 /nfs/dbraw/zinc/07/87/41/168078741.db2.gz NOQAMNANIGSRAX-NSCUHMNNSA-N 0 0 194.186 1.284 10 0 ADAERN COC(=O)C=C(N)c1ccc(F)cc1 90512961 168078802 /nfs/dbraw/zinc/07/88/02/168078802.db2.gz PBMNTKWQPYMDHA-TWGQIWQCSA-N 0 0 195.193 1.298 10 0 ADAERN COC(=O)/C=C/CSC 169346959 168078835 /nfs/dbraw/zinc/07/88/35/168078835.db2.gz YBUUPJXPHNLRGF-ONEGZZNKSA-N 0 0 146.211 1.079 10 0 ADAERN COC(=O)/C=C\Sc1ccccn1 39116762 168078924 /nfs/dbraw/zinc/07/89/24/168078924.db2.gz XYBZQOULCIMOHG-ALCCZGGFSA-N 0 0 195.243 1.860 10 0 ADAERN COC(=O)/C=C\c1ccc[nH]1 38995621 168078938 /nfs/dbraw/zinc/07/89/38/168078938.db2.gz FWODYBSMOMHLDY-PLNGDYQASA-N 0 0 151.165 1.201 10 0 ADAERN COC(=O)C=C1CCC2=C(CCC2)N1 100277356 168078947 /nfs/dbraw/zinc/07/89/47/168078947.db2.gz AZZNJDZXCNHWIQ-CLFYSBASSA-N 0 0 193.246 1.865 10 0 ADAERN COC(=O)/C=C\SC 33843480 168078956 /nfs/dbraw/zinc/07/89/56/168078956.db2.gz KAFIOMPFBSDFPP-ARJAWSKDSA-N 0 0 132.184 1.036 10 0 ADAERN COC(=O)/C=C(\C)c1ccccn1 238854529 168078965 /nfs/dbraw/zinc/07/89/65/168078965.db2.gz OFLPNKBAAYZEND-UHFFFAOYSA-N 0 0 177.203 1.658 10 0 ADAERN COC(=O)/C=C/c1c(C)noc1C 82186942 168078975 /nfs/dbraw/zinc/07/89/75/168078975.db2.gz CNJGZEQYOVNODS-SNAWJCMRSA-N 0 0 181.191 1.478 10 0 ADAERN COC(=O)/C=C/[C@H]1CCC=CO1 38234225 168078979 /nfs/dbraw/zinc/07/89/79/168078979.db2.gz AZRMZOLLGQVBAF-HQZHTGGTSA-N 0 0 168.192 1.408 10 0 ADAERN COC(=O)/C=C/c1ccoc1 38864701 168079005 /nfs/dbraw/zinc/07/90/05/168079005.db2.gz YSEPQVJFPCCWII-NSCUHMNNSA-N 0 0 152.149 1.466 10 0 ADAERN COC(=O)/C=C/c1ccc(C=O)s1 38950884 168079021 /nfs/dbraw/zinc/07/90/21/168079021.db2.gz AYXWQIOKNMILQX-SNAWJCMRSA-N 0 0 196.227 1.747 10 0 ADAERN COC(=O)/C=C/[C@@H]1CCC=CO1 38234223 168079145 /nfs/dbraw/zinc/07/91/45/168079145.db2.gz AZRMZOLLGQVBAF-GJIOHYHPSA-N 0 0 168.192 1.408 10 0 ADAERN COC(=O)/C=C/Sc1ccccn1 82713343 168079157 /nfs/dbraw/zinc/07/91/57/168079157.db2.gz XYBZQOULCIMOHG-FNORWQNLSA-N 0 0 195.243 1.860 10 0 ADAERN COC(=O)/C=C/COCC(F)(F)F 238854423 168079220 /nfs/dbraw/zinc/07/92/20/168079220.db2.gz NPHAQDSRNXIXHZ-UHFFFAOYSA-N 0 0 198.140 1.295 10 0 ADAERN COC(=O)/C=C\c1ccc(N)cc1 85475149 168079235 /nfs/dbraw/zinc/07/92/35/168079235.db2.gz HYVLKRMLVXUWQE-DAXSKMNVSA-N 0 0 177.203 1.455 10 0 ADAERN COC(=O)/C=C\c1cc[nH]c1 14684507 168079261 /nfs/dbraw/zinc/07/92/61/168079261.db2.gz LRGLUDDXROSBIO-IHWYPQMZSA-N 0 0 151.165 1.201 10 0 ADAERN COC(=O)C(C)(C)c1ccc(N)cn1 146347177 168079715 /nfs/dbraw/zinc/07/97/15/168079715.db2.gz YCNOVURDEVNELD-UHFFFAOYSA-N 0 0 194.234 1.114 10 0 ADAERN COC(=O)C(F)(Cl)Cl 196166113 168079795 /nfs/dbraw/zinc/07/97/95/168079795.db2.gz CXTXQBGWWMWLCK-UHFFFAOYSA-N 0 0 160.959 1.260 10 0 ADAERN COC(=O)C1(C(=O)C(C)C)CCCC1 45813810 168079845 /nfs/dbraw/zinc/07/98/45/168079845.db2.gz BFOQVAJGJQRBQE-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN COC(=O)C(F)(F)c1cccnc1 95774125 168080034 /nfs/dbraw/zinc/08/00/34/168080034.db2.gz LRDPBYZDVYMAJX-UHFFFAOYSA-N 0 0 187.145 1.346 10 0 ADAERN COC(=O)C(=O)Nc1ccccc1C 34450320 168080291 /nfs/dbraw/zinc/08/02/91/168080291.db2.gz OCCYSUHRYZHNFH-UHFFFAOYSA-N 0 0 193.202 1.107 10 0 ADAERN COC(=O)C(C)(C)c1ccc(N)nc1 116907203 168081003 /nfs/dbraw/zinc/08/10/03/168081003.db2.gz GJVRXMKMTPUKQW-UHFFFAOYSA-N 0 0 194.234 1.114 10 0 ADAERN COC(=O)C(C)(C)C(=O)C(C)C 32156603 168081023 /nfs/dbraw/zinc/08/10/23/168081023.db2.gz FDKLXJMFRMSQAA-UHFFFAOYSA-N 0 0 172.224 1.411 10 0 ADAERN Cc1ccc(N[C@@H](C)[C@H](C)CO)nc1 135244787 343957872 /nfs/dbraw/zinc/95/78/72/343957872.db2.gz WUKSXYAREJJUNE-ZJUUUORDSA-N 0 0 194.278 1.819 10 0 ADAERN COC(=O)C(C)(C)NCc1ccc[nH]1 51788797 168081140 /nfs/dbraw/zinc/08/11/40/168081140.db2.gz IXRURMGMDVYLIQ-UHFFFAOYSA-N 0 0 196.250 1.056 10 0 ADAERN COC(=O)C1=CC(F)(F)C1 39087601 168081300 /nfs/dbraw/zinc/08/13/00/168081300.db2.gz APQSKZYGUSGKHB-UHFFFAOYSA-N 0 0 148.108 1.125 10 0 ADAERN COC(=O)C1=CC=CC[C@]1(F)OC 90413270 168081348 /nfs/dbraw/zinc/08/13/48/168081348.db2.gz VTEBRYACHYFTBV-VIFPVBQESA-N 0 0 186.182 1.358 10 0 ADAERN COC(=O)C1(NC2CC2)CCCC1 37459401 168081366 /nfs/dbraw/zinc/08/13/66/168081366.db2.gz HQQFVHWDGWQSJT-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN COC(=O)C1=C(N)c2ccccc2C1 39083525 168081370 /nfs/dbraw/zinc/08/13/70/168081370.db2.gz UIGFLQKNOYBIRN-UHFFFAOYSA-N 0 0 189.214 1.086 10 0 ADAERN COC(=O)C1=CC=CCCC1 39087746 168081405 /nfs/dbraw/zinc/08/14/05/168081405.db2.gz FBMNCXOPHZSKMQ-UHFFFAOYSA-N 0 0 152.193 1.826 10 0 ADAERN COC(=O)C1=CC=C=CC=C1 39087598 168081427 /nfs/dbraw/zinc/08/14/27/168081427.db2.gz WVVKBKKMWQLKSI-UHFFFAOYSA-N 0 0 148.161 1.367 10 0 ADAERN COC(=O)C1=CC=CC1 1730116 168081527 /nfs/dbraw/zinc/08/15/27/168081527.db2.gz GTJTUNZBYODVSY-UHFFFAOYSA-N 0 0 124.139 1.046 10 0 in-vitro ADAERN COC(=O)C1=CCCC=CC1 39087737 168081565 /nfs/dbraw/zinc/08/15/65/168081565.db2.gz SYJDHJUGSOZOHQ-UHFFFAOYSA-N 0 0 152.193 1.826 10 0 ADAERN COC(=O)C1=CC1(C)C 36447758 168081810 /nfs/dbraw/zinc/08/18/10/168081810.db2.gz UEPKQAGARKGIRF-UHFFFAOYSA-N 0 0 126.155 1.126 10 0 ADAERN COC(=O)C1(C2CC2)CC1 39087272 168081820 /nfs/dbraw/zinc/08/18/20/168081820.db2.gz MNQCWIBYUSARDZ-UHFFFAOYSA-N 0 0 140.182 1.350 10 0 ADAERN COC(=O)C1=CCC=C1 38856635 168081856 /nfs/dbraw/zinc/08/18/56/168081856.db2.gz KWVWVDRTVFHUQL-UHFFFAOYSA-N 0 0 124.139 1.046 10 0 ADAERN COC(=O)C1(NC(C)C)CCC1 52140255 168081866 /nfs/dbraw/zinc/08/18/66/168081866.db2.gz XIYJVSPHBDJQPC-UHFFFAOYSA-N 0 0 171.240 1.080 10 0 ADAERN COC(=O)C1(C)CC=CC1 39087243 168081905 /nfs/dbraw/zinc/08/19/05/168081905.db2.gz PKAANHBVNOKDOY-UHFFFAOYSA-N 0 0 140.182 1.516 10 0 ADAERN COC(=O)C1=C(C)OCCC1 38652727 168081950 /nfs/dbraw/zinc/08/19/50/168081950.db2.gz GPYBLZCROOSNOX-UHFFFAOYSA-N 0 0 156.181 1.244 10 0 ADAERN COC(=O)C1(Nc2ccccc2)CC1 39083649 168081979 /nfs/dbraw/zinc/08/19/79/168081979.db2.gz FCBGBLUVFJKCAB-UHFFFAOYSA-N 0 0 191.230 1.804 10 0 ADAERN COC(=O)C1(C(C)=O)CCCC1 39072671 168081992 /nfs/dbraw/zinc/08/19/92/168081992.db2.gz LNBQBXOKRKWVLJ-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN COC(=O)C1(NC2CC2)CCCCC1 37459426 168082006 /nfs/dbraw/zinc/08/20/06/168082006.db2.gz LFLRVVOFNOLTQN-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN COC(=O)C1=CCC(C)(C)C1 39117875 168082023 /nfs/dbraw/zinc/08/20/23/168082023.db2.gz PLIKVOZGJLQAEE-UHFFFAOYSA-N 0 0 154.209 1.906 10 0 ADAERN COC(=O)C1=CCCC1(C)C 38522725 168082064 /nfs/dbraw/zinc/08/20/64/168082064.db2.gz TUWXURUKZFEWGX-UHFFFAOYSA-N 0 0 154.209 1.906 10 0 ADAERN COC(=O)C1=CC(C)(C)N(O)C1(C)C 100389791 168082073 /nfs/dbraw/zinc/08/20/73/168082073.db2.gz JVLPEXNOUUSKSA-UHFFFAOYSA-N 0 0 198.242 1.304 10 0 in-vitro ADAERN COC(=O)C1(N2CCCCC2)CC1 113356144 168082158 /nfs/dbraw/zinc/08/21/58/168082158.db2.gz QJOZUQJKJCCIAR-UHFFFAOYSA-N 0 0 183.251 1.178 10 0 ADAERN COC(=O)C1=CC=CC=CO1 39087740 168082221 /nfs/dbraw/zinc/08/22/21/168082221.db2.gz LGWGHIVCHVTBRS-UHFFFAOYSA-N 0 0 152.149 1.143 10 0 ADAERN COC(=O)C1=CC=CC[C@@]1(F)OC 90413272 168082263 /nfs/dbraw/zinc/08/22/63/168082263.db2.gz VTEBRYACHYFTBV-SECBINFHSA-N 0 0 186.182 1.358 10 0 ADAERN COC(=O)C1=C(NC(C)C)CCCC1 39084409 168082267 /nfs/dbraw/zinc/08/22/67/168082267.db2.gz PNISAWDQUIVRMM-UHFFFAOYSA-N 0 0 197.278 1.986 10 0 ADAERN COC(=O)C1(NC(C)C)CCCCC1 37445849 168082304 /nfs/dbraw/zinc/08/23/04/168082304.db2.gz WSFWYQNSVWRFGM-UHFFFAOYSA-N 0 0 199.294 1.860 10 0 ADAERN COC(=O)C1(NC2CCCC2)CCC1 52140494 168082313 /nfs/dbraw/zinc/08/23/13/168082313.db2.gz KMJVQVIQJFMSIM-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN COC(=O)C1=CC(=C(C)C)C1 39087689 168082317 /nfs/dbraw/zinc/08/23/17/168082317.db2.gz XSFHMETZGHRHMG-UHFFFAOYSA-N 0 0 152.193 1.826 10 0 ADAERN COC(=O)C1=C(C)[C@H](C(C)C)OC1=O 34076437 168082403 /nfs/dbraw/zinc/08/24/03/168082403.db2.gz OLZWCVXBLFZEHL-QMMMGPOBSA-N 0 0 198.218 1.057 10 0 ADAERN COC(=O)C1(O)CCCCCCC1 50974198 168082482 /nfs/dbraw/zinc/08/24/82/168082482.db2.gz DXAJXIPEDTYJNF-UHFFFAOYSA-N 0 0 186.251 1.635 10 0 ADAERN COC(=O)C1=C(C2CC2)CC1 39087680 168082505 /nfs/dbraw/zinc/08/25/05/168082505.db2.gz HNAIWWRAJBYKEC-UHFFFAOYSA-N 0 0 152.193 1.660 10 0 ADAERN COC(=O)C1=C(O)CCS1 39251273 168082586 /nfs/dbraw/zinc/08/25/86/168082586.db2.gz WUTPQAHPRDRJCK-UHFFFAOYSA-N 0 0 160.194 1.066 10 0 ADAERN COC(=O)C1(NC(C)C)CCCC1 37445774 168082595 /nfs/dbraw/zinc/08/25/95/168082595.db2.gz OJOUIQWAQZTJPU-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN COC(=O)C1(c2ccccc2)C=C1 38532767 168082629 /nfs/dbraw/zinc/08/26/29/168082629.db2.gz FOWCDUCJOIRVNS-UHFFFAOYSA-N 0 0 174.199 1.667 10 0 ADAERN COC(=O)C1=CCOc2ccccc21 90513129 168082670 /nfs/dbraw/zinc/08/26/70/168082670.db2.gz XVNQBERZTJJYMF-UHFFFAOYSA-N 0 0 190.198 1.635 10 0 ADAERN COC(=O)C1=C(C)[C@@H](C(C)C)OC1=O 34076436 168082757 /nfs/dbraw/zinc/08/27/57/168082757.db2.gz OLZWCVXBLFZEHL-MRVPVSSYSA-N 0 0 198.218 1.057 10 0 ADAERN COC(=O)C1=C[C@H](F)CCC1 39088139 168083111 /nfs/dbraw/zinc/08/31/11/168083111.db2.gz DHVDCGFSGNGTEP-SSDOTTSWSA-N 0 0 158.172 1.608 10 0 ADAERN COC(=O)C1[C@H](C)C(C)[C@H]1C 39933 168083315 /nfs/dbraw/zinc/08/33/15/168083315.db2.gz HZTJJUOMERKZSQ-MIDKJMSJSA-N 0 0 156.225 1.698 10 0 ADAERN COC(=O)C1C=CCCC=C1 39087745 168083372 /nfs/dbraw/zinc/08/33/72/168083372.db2.gz PDZKJEVTXJQMTN-UHFFFAOYSA-N 0 0 152.193 1.682 10 0 ADAERN COC(=O)C1=CC[C@H](C)C1 39087232 168083401 /nfs/dbraw/zinc/08/34/01/168083401.db2.gz GRIBBCQSVBDQLW-LURJTMIESA-N 0 0 140.182 1.516 10 0 ADAERN COC(=O)C1=C[C@H](C)C1 39117695 168083418 /nfs/dbraw/zinc/08/34/18/168083418.db2.gz SGXVMULEQVCRML-YFKPBYRVSA-N 0 0 126.155 1.126 10 0 ADAERN COC(=O)C1=CC[C@H]1C 39117692 168083421 /nfs/dbraw/zinc/08/34/21/168083421.db2.gz PEMZVKDQDIGTRD-RXMQYKEDSA-N 0 0 126.155 1.126 10 0 ADAERN COC(=O)C1=C[C@H](C)CC1 34236028 168083547 /nfs/dbraw/zinc/08/35/47/168083547.db2.gz MGQAYMJJBRADGQ-ZCFIWIBFSA-N 0 0 140.182 1.516 10 0 ADAERN COC(=O)C1=C[C@@H](C)CC1 34236029 168083600 /nfs/dbraw/zinc/08/36/00/168083600.db2.gz MGQAYMJJBRADGQ-LURJTMIESA-N 0 0 140.182 1.516 10 0 ADAERN COC(=O)C1CC(C)=C(C)C1 45815081 168083609 /nfs/dbraw/zinc/08/36/09/168083609.db2.gz ZOJQTZALBRWZGM-UHFFFAOYSA-N 0 0 154.209 1.906 10 0 ADAERN COC(=O)C1=C[C@H](C)[C@@H]1C 39087271 168083661 /nfs/dbraw/zinc/08/36/61/168083661.db2.gz FTLVSCMZYSKIHQ-WDSKDSINSA-N 0 0 140.182 1.372 10 0 ADAERN COC(=O)C1=C[C@@H](F)CCC1 39088140 168083714 /nfs/dbraw/zinc/08/37/14/168083714.db2.gz DHVDCGFSGNGTEP-ZETCQYMHSA-N 0 0 158.172 1.608 10 0 ADAERN COC(=O)C1[C@H]2CCC[C@@H]12 22204148 168083819 /nfs/dbraw/zinc/08/38/19/168083819.db2.gz SOHLDDNHSFAQHJ-MEKDEQNOSA-N 0 0 140.182 1.206 10 0 ADAERN COC(=O)C1=Cc2ccoc2C=NO1 238730455 168083843 /nfs/dbraw/zinc/08/38/43/168083843.db2.gz ARSAJPQWIVTUBE-UHFFFAOYSA-N 0 0 193.158 1.158 10 0 ADAERN 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/nfs/dbraw/zinc/10/44/28/168104428.db2.gz ZWMMZWJKCRCKPF-UHFFFAOYSA-N 0 0 191.190 1.741 10 0 ADAERN COC(=O)N[C@H]1CC[C@@H](OC)CC1 100007352 168104502 /nfs/dbraw/zinc/10/45/02/168104502.db2.gz BNHQVUAJNRTKRG-ZKCHVHJHSA-N 0 0 187.239 1.300 10 0 ADAERN COC(=O)N[C@H](CO)c1ccccc1 34589931 168104506 /nfs/dbraw/zinc/10/45/06/168104506.db2.gz RDPMXDMEHUKNIQ-SECBINFHSA-N 0 0 195.218 1.076 10 0 ADAERN COC(=O)Nc1cccnc1Cl 6126172 168104535 /nfs/dbraw/zinc/10/45/35/168104535.db2.gz PWIDBCSBSAORMI-UHFFFAOYSA-N 0 0 186.598 1.913 10 0 ADAERN COC(=O)N[C@H](C)c1ccccc1N 37179009 168104569 /nfs/dbraw/zinc/10/45/69/168104569.db2.gz PCUBDMKWYITLGX-SSDOTTSWSA-N 0 0 194.234 1.686 10 0 ADAERN COC(=O)N=C1NCSC1=S 39126112 168104602 /nfs/dbraw/zinc/10/46/02/168104602.db2.gz HEDHBXMHHDOILE-UHFFFAOYSA-N 0 0 190.249 1.610 10 0 ADAERN COC(=O)Nc1ccccc1N 19815616 168104683 /nfs/dbraw/zinc/10/46/83/168104683.db2.gz WYCKPAUOPSRSST-UHFFFAOYSA-N 0 0 166.180 1.447 10 0 ADAERN COC(=O)Nc1cc(C)on1 6271500 168104689 /nfs/dbraw/zinc/10/46/89/168104689.db2.gz PGAMVHCCVDEFRS-UHFFFAOYSA-N 0 0 156.141 1.161 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](O)c1ccccc1 33944766 168104858 /nfs/dbraw/zinc/10/48/58/168104858.db2.gz SXWQLHQCMPSHTH-WCBMZHEXSA-N 0 0 194.230 1.529 10 0 ADAERN COC(=O)[C@@H](C)Oc1cccc(O)c1 39185582 168104886 /nfs/dbraw/zinc/10/48/86/168104886.db2.gz ZVZWBIRHZJCANZ-SSDOTTSWSA-N 0 0 196.202 1.333 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccccn1 34326552 168104896 /nfs/dbraw/zinc/10/48/96/168104896.db2.gz BDJVSOJSWZWYSY-SSDOTTSWSA-N 0 0 180.207 1.055 10 0 ADAERN COC(=O)[C@@H](C)Nc1cccc(C)n1 37670680 168104911 /nfs/dbraw/zinc/10/49/11/168104911.db2.gz YRGYIYPLNJYBJB-MRVPVSSYSA-N 0 0 194.234 1.363 10 0 ADAERN COC(=O)[C@@H](C)Oc1ccccc1N 31896801 168104972 /nfs/dbraw/zinc/10/49/72/168104972.db2.gz DGRYOZJFOKLPGJ-SSDOTTSWSA-N 0 0 195.218 1.209 10 0 ADAERN COC(=O)[C@@H](C)[C@H](O)CC(C)C 52249870 168104985 /nfs/dbraw/zinc/10/49/85/168104985.db2.gz KDLLGWCSKLNSEB-JGVFFNPUSA-N 0 0 174.240 1.203 10 0 ADAERN COC(=O)[C@@H](C)Nc1ncccc1F 54700581 168104994 /nfs/dbraw/zinc/10/49/94/168104994.db2.gz ICDNHXUPRHXMSZ-ZCFIWIBFSA-N 0 0 198.197 1.194 10 0 ADAERN COC(=O)[C@@H](C)C[C@@H](O)C(C)C 43371826 168105011 /nfs/dbraw/zinc/10/50/11/168105011.db2.gz AYMWXFMOTAFLML-JGVFFNPUSA-N 0 0 174.240 1.203 10 0 ADAERN COC(=O)[C@@H](C)[C@H](O)C1CCCC1 52250083 168105051 /nfs/dbraw/zinc/10/50/51/168105051.db2.gz BCCTUHRMAKHBQP-CBAPKCEASA-N 0 0 186.251 1.347 10 0 ADAERN COC(=O)[C@@H](C)N[C@@H](C)c1ccco1 42304349 168105110 /nfs/dbraw/zinc/10/51/10/168105110.db2.gz BWBDDANCDGTZFF-JGVFFNPUSA-N 0 0 197.234 1.492 10 0 ADAERN COC(=O)[C@@H](C)C[C@H](O)C(C)C 43371827 168105269 /nfs/dbraw/zinc/10/52/69/168105269.db2.gz AYMWXFMOTAFLML-YUMQZZPRSA-N 0 0 174.240 1.203 10 0 ADAERN COC(=O)[C@@H](C)[C@H](O)C(C)(C)C 33944673 168105294 /nfs/dbraw/zinc/10/52/94/168105294.db2.gz JTDNDDNQCCLINU-BQBZGAKWSA-N 0 0 174.240 1.203 10 0 ADAERN COC(=O)[C@@H](C)Nc1nccs1 35661073 168105312 /nfs/dbraw/zinc/10/53/12/168105312.db2.gz QKYXPXOJJFKYAS-RXMQYKEDSA-N 0 0 186.236 1.117 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccccc1F 37854912 168105373 /nfs/dbraw/zinc/10/53/73/168105373.db2.gz XXXHANSJGXEKTL-SSDOTTSWSA-N 0 0 197.209 1.799 10 0 ADAERN COC(=O)[C@@H](C)C[C@H](O)C(C)(C)C 43371202 168105460 /nfs/dbraw/zinc/10/54/60/168105460.db2.gz SIOUZJPOVMIVSS-YUMQZZPRSA-N 0 0 188.267 1.593 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccncc1 35661049 168105537 /nfs/dbraw/zinc/10/55/37/168105537.db2.gz IDMLXWRRBQNSJD-SSDOTTSWSA-N 0 0 180.207 1.055 10 0 ADAERN COC(=O)[C@@H](C)C[C@@H](O)C(C)(C)C 43371206 168105575 /nfs/dbraw/zinc/10/55/75/168105575.db2.gz SIOUZJPOVMIVSS-JGVFFNPUSA-N 0 0 188.267 1.593 10 0 ADAERN COC(=O)[C@@H](C)NCC1CCCC1 42322049 168105587 /nfs/dbraw/zinc/10/55/87/168105587.db2.gz ILPQOBFNIRPCLA-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN COC(=O)[C@@H](C)Nc1cccnc1 82711295 168105678 /nfs/dbraw/zinc/10/56/78/168105678.db2.gz PQAYMWOWSMLOBD-SSDOTTSWSA-N 0 0 180.207 1.055 10 0 ADAERN COC(=O)[C@@H](C)Nc1cccc(F)n1 49364873 168105689 /nfs/dbraw/zinc/10/56/89/168105689.db2.gz XWWGCBOXPYJPID-ZCFIWIBFSA-N 0 0 198.197 1.194 10 0 ADAERN COC(=O)[C@@H](C)C[C@@H](O)CC(C)C 43371782 168105705 /nfs/dbraw/zinc/10/57/05/168105705.db2.gz MZXLGKDMEZIYGE-IUCAKERBSA-N 0 0 188.267 1.593 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](O)C1CCCC1 52250085 168105757 /nfs/dbraw/zinc/10/57/57/168105757.db2.gz BCCTUHRMAKHBQP-IONNQARKSA-N 0 0 186.251 1.347 10 0 ADAERN COC(=O)[C@@H](C)NC1(C)CCCC1 43627624 168105839 /nfs/dbraw/zinc/10/58/39/168105839.db2.gz OWDKLWSSLFXSBY-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN COC(=O)[C@@H](C)[C@H](O)c1ccccc1 33944764 168105941 /nfs/dbraw/zinc/10/59/41/168105941.db2.gz SXWQLHQCMPSHTH-WPRPVWTQSA-N 0 0 194.230 1.529 10 0 ADAERN COC(=O)[C@@H](C)C[C@H](O)CC(C)C 43371784 168105952 /nfs/dbraw/zinc/10/59/52/168105952.db2.gz MZXLGKDMEZIYGE-DTWKUNHWSA-N 0 0 188.267 1.593 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccccc1N 44388057 168105973 /nfs/dbraw/zinc/10/59/73/168105973.db2.gz BRYWKVZXXBFDMI-SSDOTTSWSA-N 0 0 194.234 1.242 10 0 ADAERN COC(=O)[C@@H](C)Nc1cc(C)ccn1 43561459 168106009 /nfs/dbraw/zinc/10/60/09/168106009.db2.gz UZAWJRSYTQOUQB-MRVPVSSYSA-N 0 0 194.234 1.363 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccc(F)cn1 41045374 168106099 /nfs/dbraw/zinc/10/60/99/168106099.db2.gz HFIMHLCVLNWRBQ-ZCFIWIBFSA-N 0 0 198.197 1.194 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](O)C(C)(C)C 33944675 168106108 /nfs/dbraw/zinc/10/61/08/168106108.db2.gz JTDNDDNQCCLINU-NKWVEPMBSA-N 0 0 174.240 1.203 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccccc1 244091 168106192 /nfs/dbraw/zinc/10/61/92/168106192.db2.gz RBAUAHIPDXKQJI-MRVPVSSYSA-N 0 0 179.219 1.660 10 0 biogenic ADAERN COC(=O)[C@@H](C)N1CC=C(C)CC1 306265952 168106223 /nfs/dbraw/zinc/10/62/23/168106223.db2.gz BPBQTTJTSJMPNN-SECBINFHSA-N 0 0 183.251 1.200 10 0 ADAERN COC(=O)[C@@H](C)Nc1cccc(N)c1 49352083 168106280 /nfs/dbraw/zinc/10/62/80/168106280.db2.gz CIQMNCFKTZNZJQ-SSDOTTSWSA-N 0 0 194.234 1.242 10 0 ADAERN COC(=O)[C@@H](C)Nc1cccc(F)c1 37962098 168106292 /nfs/dbraw/zinc/10/62/92/168106292.db2.gz URYOFSFGGZOUBX-SSDOTTSWSA-N 0 0 197.209 1.799 10 0 ADAERN COC(=O)[C@@H](C)Cn1cnc(C)c1C 51926172 168106327 /nfs/dbraw/zinc/10/63/27/168106327.db2.gz HHLXYWZWIQJBOQ-ZETCQYMHSA-N 0 0 196.250 1.309 10 0 ADAERN COC(=O)[C@@H](C)N[C@H](C)c1ccco1 42304352 168106332 /nfs/dbraw/zinc/10/63/32/168106332.db2.gz BWBDDANCDGTZFF-HTQZYQBOSA-N 0 0 197.234 1.492 10 0 ADAERN COC(=O)[C@@H](C)Nc1ncccc1C 51040914 168106341 /nfs/dbraw/zinc/10/63/41/168106341.db2.gz LPCAYDCSABGOIR-MRVPVSSYSA-N 0 0 194.234 1.363 10 0 ADAERN COC(=O)[C@@H](C)Oc1ccccc1C 1470709 168106425 /nfs/dbraw/zinc/10/64/25/168106425.db2.gz RNRHYOGVZXHKJF-SECBINFHSA-N 0 0 194.230 1.935 10 0 ADAERN COC(=O)[C@@H](C)[C@@H](O)CC(C)C 52249869 168106431 /nfs/dbraw/zinc/10/64/31/168106431.db2.gz KDLLGWCSKLNSEB-YUMQZZPRSA-N 0 0 174.240 1.203 10 0 ADAERN COC(=O)[C@@H](N)c1cc(C)sc1C 49687675 168106750 /nfs/dbraw/zinc/10/67/50/168106750.db2.gz KZEKVUGKBSINPG-QMMMGPOBSA-N 0 0 199.275 1.538 10 0 ADAERN COC(=O)[C@@H](N)CCC(C)(C)C 44330813 168106931 /nfs/dbraw/zinc/10/69/31/168106931.db2.gz DIQDBCVESAIIJG-ZETCQYMHSA-N 0 0 173.256 1.313 10 0 ADAERN COC(=O)[C@@H](N)CCCC(F)(F)F 44327910 168106977 /nfs/dbraw/zinc/10/69/77/168106977.db2.gz QXJMEPHGABWPST-YFKPBYRVSA-N 0 0 199.172 1.219 10 0 ADAERN COC(=O)[C@@H](N)Cc1ccc(C)s1 44326946 168107030 /nfs/dbraw/zinc/10/70/30/168107030.db2.gz BXYLNSUQONQPNE-QMMMGPOBSA-N 0 0 199.275 1.099 10 0 ADAERN COC(=O)[C@@H](C)n1cc[nH]c1=S 49360764 168107070 /nfs/dbraw/zinc/10/70/70/168107070.db2.gz CUQCWSGVRDXDQI-RXMQYKEDSA-N 0 0 186.236 1.280 10 0 ADAERN COC(=O)[C@@H](C)n1nc(C)cc1C 20198509 168107077 /nfs/dbraw/zinc/10/70/77/168107077.db2.gz CEBVOTSQRMOJMP-MRVPVSSYSA-N 0 0 182.223 1.234 10 0 ADAERN COC(=O)[C@@H](C)c1ccc(N)c(F)c1 34143899 168107093 /nfs/dbraw/zinc/10/70/93/168107093.db2.gz AZNANEAJNFHWED-LURJTMIESA-N 0 0 197.209 1.684 10 0 ADAERN COC(=O)[C@@H](C)[S@@](=O)C(C)(C)C 43637408 168107253 /nfs/dbraw/zinc/10/72/53/168107253.db2.gz RWZZIHGEJUYIQB-INWYIAFRSA-N 0 0 192.280 1.095 10 0 ADAERN 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39941319 168112710 /nfs/dbraw/zinc/11/27/10/168112710.db2.gz CLISOXVRHSPWNU-BDAKNGLRSA-N 0 0 185.267 1.184 10 0 in-vitro ADAERN COC(=O)[C@@H]1C[C@H]1C(C)C 165569927 168112734 /nfs/dbraw/zinc/11/27/34/168112734.db2.gz ABHUGCAOQUQJID-NKWVEPMBSA-N 0 0 142.198 1.452 10 0 ADAERN COC(=O)[C@@H]1OCC[C@@H]1C(C)C 306418915 168113108 /nfs/dbraw/zinc/11/31/08/168113108.db2.gz VXAORLYXKZRNHW-HTQZYQBOSA-N 0 0 172.224 1.221 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)C1(C)C 39087416 168113152 /nfs/dbraw/zinc/11/31/52/168113152.db2.gz XGOQQTDXOBXHQX-RITPCOANSA-N 0 0 142.198 1.452 10 0 ADAERN COC(=O)[C@@H]1C[C@H]1c1ccccn1 170618821 168113183 /nfs/dbraw/zinc/11/31/83/168113183.db2.gz ZLGLOWZDHZRZIJ-HTQZYQBOSA-N 0 0 177.203 1.358 10 0 ADAERN COC(=O)[C@@](C)(N)c1cccc(C)c1 41046840 168113272 /nfs/dbraw/zinc/11/32/72/168113272.db2.gz LPISNBCHEKWLMB-NSHDSACASA-N 0 0 193.246 1.342 10 0 ADAERN COC(=O)[C@@](C)(N)c1ccc(C)cc1 37459687 168113438 /nfs/dbraw/zinc/11/34/38/168113438.db2.gz MHQPLXDZTXSHJU-NSHDSACASA-N 0 0 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YAGHAIWJZNNKNS-RBSILHGTSA-N 0 0 190.626 1.461 10 0 ADAERN COC(=O)[C@H]1NCc2ccccc21 39204936 168125012 /nfs/dbraw/zinc/12/50/12/168125012.db2.gz HAHSSOBUBYFYNE-VIFPVBQESA-N 0 0 177.203 1.004 10 0 ADAERN COC(=O)[C@]1(C)C=CC(C)=C1 39087730 168125034 /nfs/dbraw/zinc/12/50/34/168125034.db2.gz NBGJPRFIJPPJHM-SECBINFHSA-N 0 0 152.193 1.682 10 0 ADAERN COC(=O)[C@]12CCCC[C@H]1C2 39087883 168125162 /nfs/dbraw/zinc/12/51/62/168125162.db2.gz TWGWPYRHWOFFAB-CBAPKCEASA-N 0 0 154.209 1.740 10 0 ADAERN COC(=O)[C@]1(C)[C@@H]2C=C[C@@]21C 39087734 168125174 /nfs/dbraw/zinc/12/51/74/168125174.db2.gz FFHFWUYSIHEVKH-YEPSODPASA-N 0 0 152.193 1.372 10 0 ADAERN COC(=O)[C@]1(C)[C@H]2C=C[C@]21C 39087733 168125196 /nfs/dbraw/zinc/12/51/96/168125196.db2.gz FFHFWUYSIHEVKH-ZQARSLAVSA-N 0 0 152.193 1.372 10 0 ADAERN COC(=O)[C@]1(N)C[C@H]1c1ccccc1 39083711 168125220 /nfs/dbraw/zinc/12/52/20/168125220.db2.gz SSNHIYGBNLNDBQ-ONGXEEELSA-N 0 0 191.230 1.044 10 0 ADAERN COC(=O)[C@]1(O)CCC[C@@H](C)C1 50974914 168125278 /nfs/dbraw/zinc/12/52/78/168125278.db2.gz JQXWUAKDWIZBBQ-APPZFPTMSA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)[C@]12CCC[C@@H]1CN=N2 45793076 168125434 /nfs/dbraw/zinc/12/54/34/168125434.db2.gz CIWGASDUJLUSMP-SVRRBLITSA-N 0 0 168.196 1.164 10 0 ADAERN COC(=O)[C@]1(O)CCC[C@H](C)C1 50974915 168125471 /nfs/dbraw/zinc/12/54/71/168125471.db2.gz JQXWUAKDWIZBBQ-CBAPKCEASA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)[C@]12CCC[C@H]1CN=N2 45793082 168125481 /nfs/dbraw/zinc/12/54/81/168125481.db2.gz CIWGASDUJLUSMP-XPUUQOCRSA-N 0 0 168.196 1.164 10 0 ADAERN COC(=O)[C@]1(O)CCCC[C@@H]1C 50974888 168125497 /nfs/dbraw/zinc/12/54/97/168125497.db2.gz DOHPKBHUWPNNKY-CBAPKCEASA-N 0 0 172.224 1.101 10 0 ADAERN COC(=O)[C@]1(C)C[C@@]1(C)C(C)=O 39072624 168125513 /nfs/dbraw/zinc/12/55/13/168125513.db2.gz PIIWXQBFJPXSNB-IUCAKERBSA-N 0 0 170.208 1.165 10 0 ADAERN COC(=O)[C@]1(C)[C@@H]2C=C(C)[C@@H]21 256158185 168125594 /nfs/dbraw/zinc/12/55/94/168125594.db2.gz GUVCHKXUWJSFOQ-BKPPORCPSA-N 0 0 152.193 1.372 10 0 ADAERN 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/nfs/dbraw/zinc/12/62/85/168126285.db2.gz YZQKCNSFFDWCHD-UHFFFAOYSA-N 0 0 159.166 1.124 10 0 ADAERN COC(=O)c1cc(C)cc(N)c1C 1686137 168126363 /nfs/dbraw/zinc/12/63/63/168126363.db2.gz ZGWJTVNFUJQBHX-UHFFFAOYSA-N 0 0 179.219 1.672 10 0 ADAERN COC(=O)c1c(OC)ccnc1F 96102750 168126377 /nfs/dbraw/zinc/12/63/77/168126377.db2.gz GPXMOKXMHDOAKG-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COC(=O)c1cc(C)n(C)c1 39087783 168126395 /nfs/dbraw/zinc/12/63/95/168126395.db2.gz VGBPQNZYRXHODP-UHFFFAOYSA-N 0 0 153.181 1.120 10 0 ADAERN COC(=O)c1cc(C)nc(C)c1N 82396568 168126457 /nfs/dbraw/zinc/12/64/57/168126457.db2.gz JMEIDEGRNNBZDG-UHFFFAOYSA-N 0 0 180.207 1.067 10 0 ADAERN COC(=O)c1cc(C)cn1C 39087814 168126474 /nfs/dbraw/zinc/12/64/74/168126474.db2.gz FLEMTZQNFDQWPZ-UHFFFAOYSA-N 0 0 153.181 1.120 10 0 ADAERN COC(=O)c1cc(C)cc(C)c1O 75569856 168126561 /nfs/dbraw/zinc/12/65/61/168126561.db2.gz MDKRUWLGYSFHKW-UHFFFAOYSA-N 0 0 180.203 1.796 10 0 ADAERN COC(=O)c1cc(C)cc(F)c1N 37475449 168126587 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ZLUNRZITKFBMKH-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN COC(=O)c1ccc(OC)c(C)c1O 75598834 168131778 /nfs/dbraw/zinc/13/17/78/168131778.db2.gz NZJNXYZWTJEZCB-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN COC(=O)c1ccc2cccnn12 73733738 168131802 /nfs/dbraw/zinc/13/18/02/168131802.db2.gz ULBLGBGVOOPBQA-UHFFFAOYSA-N 0 0 176.175 1.121 10 0 ADAERN COC(=O)c1ccc2c(c1)CC(=O)N2 100489593 168131860 /nfs/dbraw/zinc/13/18/60/168131860.db2.gz NYBPMSDAKBULQS-UHFFFAOYSA-N 0 0 191.186 1.660 10 0 ADAERN COC(=O)c1ccc(NC=O)c(C)c1 39083840 168131928 /nfs/dbraw/zinc/13/19/28/168131928.db2.gz OQNUYIVOZPRXPA-UHFFFAOYSA-N 0 0 193.202 1.350 10 0 ADAERN COC(=O)c1ccc(OC)cc1C=O 75595604 168131954 /nfs/dbraw/zinc/13/19/54/168131954.db2.gz UVTHYUVVTFLHCD-UHFFFAOYSA-N 0 0 194.186 1.294 10 0 ADAERN COC(=O)c1ccc2c(c1)C(=O)N=C2 85346347 168132030 /nfs/dbraw/zinc/13/20/30/168132030.db2.gz LZBQEQANSLRRMZ-UHFFFAOYSA-N 0 0 189.170 1.046 10 0 ADAERN COC(=O)c1ccc(F)c(F)n1 47202356 168132070 /nfs/dbraw/zinc/13/20/70/168132070.db2.gz UMVVQVGSJWQXQG-UHFFFAOYSA-N 0 0 173.118 1.146 10 0 ADAERN COC(=O)c1ccc(SC)cn1 481328 168132094 /nfs/dbraw/zinc/13/20/94/168132094.db2.gz YFIFJAISBYUTRU-UHFFFAOYSA-N 0 0 183.232 1.590 10 0 ADAERN COC(=O)c1ccc(N(C)C)c(C)c1 44199986 168132224 /nfs/dbraw/zinc/13/22/24/168132224.db2.gz GXBYBJLHFUQHEQ-UHFFFAOYSA-N 0 0 193.246 1.848 10 0 ADAERN COC(=O)c1ccc(F)nc1OC 39038902 168132287 /nfs/dbraw/zinc/13/22/87/168132287.db2.gz BSMOYYXEMQUZSD-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COC(=O)c1ccc2c(c1)CC(=O)C2 88189912 168132343 /nfs/dbraw/zinc/13/23/43/168132343.db2.gz UNNPUMRHNLBTMU-UHFFFAOYSA-N 0 0 190.198 1.141 10 0 ADAERN COC(=O)c1ccc2ncsc2n1 89229875 168132348 /nfs/dbraw/zinc/13/23/48/168132348.db2.gz VFKSFSSKYMTZSQ-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN COC(=O)c1ccc(SC)c(N)c1 39084471 168132382 /nfs/dbraw/zinc/13/23/82/168132382.db2.gz GOCQPCDODCQSPQ-UHFFFAOYSA-N 0 0 197.259 1.777 10 0 ADAERN COC(=O)c1ccc2c(c1)OCCC2 90513472 168132387 /nfs/dbraw/zinc/13/23/87/168132387.db2.gz ABEGSCLTMMNTPW-UHFFFAOYSA-N 0 0 192.214 1.798 10 0 ADAERN COC(=O)c1ccc(O)c(N(C)C)c1 34133828 168132402 /nfs/dbraw/zinc/13/24/02/168132402.db2.gz NGPNYQNIKZMKFS-UHFFFAOYSA-N 0 0 195.218 1.245 10 0 ADAERN COC(=O)c1ccc2cccnc2n1 34925577 168132519 /nfs/dbraw/zinc/13/25/19/168132519.db2.gz PAUWJGNLAVWRMD-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN COC(=O)c1ccc2onc(N)c2c1 202436443 168132530 /nfs/dbraw/zinc/13/25/30/168132530.db2.gz STRGTYJXXMRLDC-UHFFFAOYSA-N 0 0 192.174 1.197 10 0 ADAERN COC(=O)c1ccc2c(c1)C=C2 34104099 168132549 /nfs/dbraw/zinc/13/25/49/168132549.db2.gz YPJDLRNYLKABQX-UHFFFAOYSA-N 0 0 160.172 1.957 10 0 ADAERN COC(=O)c1ccc(N)c2occc12 34411218 168132593 /nfs/dbraw/zinc/13/25/93/168132593.db2.gz AXLFATUIQRTAEH-UHFFFAOYSA-N 0 0 191.186 1.802 10 0 ADAERN COC(=O)c1ccc(F)c(F)c1O 47202344 168132719 /nfs/dbraw/zinc/13/27/19/168132719.db2.gz VSEWUTSVQCDLFG-UHFFFAOYSA-N 0 0 188.129 1.457 10 0 ADAERN COC(=O)c1ccc(Cl)c(F)n1 47202578 168132760 /nfs/dbraw/zinc/13/27/60/168132760.db2.gz BDJIOTUJADHXBJ-UHFFFAOYSA-N 0 0 189.573 1.661 10 0 ADAERN COC(=O)c1ccc2c(n1)CCCC2 38950593 168132842 /nfs/dbraw/zinc/13/28/42/168132842.db2.gz YIGRWHJCORERRW-UHFFFAOYSA-N 0 0 191.230 1.747 10 0 ADAERN COC(=O)c1ccc([C@@H](C)O)o1 39072670 168132883 /nfs/dbraw/zinc/13/28/83/168132883.db2.gz ZUMZJUXQDNAXRX-RXMQYKEDSA-N 0 0 170.164 1.120 10 0 ADAERN COC(=O)c1ccc(F)nc1Cl 47202572 168133127 /nfs/dbraw/zinc/13/31/27/168133127.db2.gz ANJFYSWZNQYANJ-UHFFFAOYSA-N 0 0 189.573 1.661 10 0 ADAERN COC(=O)c1ccc([C@H](C)O)o1 39072669 168133190 /nfs/dbraw/zinc/13/31/90/168133190.db2.gz ZUMZJUXQDNAXRX-YFKPBYRVSA-N 0 0 170.164 1.120 10 0 ADAERN COC(=O)c1cccc(NC=O)c1 34519112 168133444 /nfs/dbraw/zinc/13/34/44/168133444.db2.gz KZYPJUCMRUATJB-UHFFFAOYSA-N 0 0 179.175 1.042 10 0 ADAERN COC(=O)c1cccc2c1C(=O)OC2 82389149 168133559 /nfs/dbraw/zinc/13/35/59/168133559.db2.gz IPDKLLWFGIZILF-UHFFFAOYSA-N 0 0 192.170 1.144 10 0 ADAERN COC(=O)c1cccc(OC)c1C=O 15217454 168133991 /nfs/dbraw/zinc/13/39/91/168133991.db2.gz PYOVYUCEBCOYSM-UHFFFAOYSA-N 0 0 194.186 1.294 10 0 ADAERN COC(=O)c1cccc2c(=O)[nH][nH]c12 89196142 168134159 /nfs/dbraw/zinc/13/41/59/168134159.db2.gz RWBFECYZMYCGCY-UHFFFAOYSA-N 0 0 192.174 1.055 10 0 ADAERN COC(=O)c1cccc2[nH]nc(C)c12 80303261 168134308 /nfs/dbraw/zinc/13/43/08/168134308.db2.gz GTXVRIUISHNWMC-UHFFFAOYSA-N 0 0 190.202 1.658 10 0 ADAERN COC(=O)c1cccc(N(C)C)c1F 75852209 168134375 /nfs/dbraw/zinc/13/43/75/168134375.db2.gz HNWVBHZYJVDLKW-UHFFFAOYSA-N 0 0 197.209 1.678 10 0 ADAERN COC(=O)c1cccc2nnsc12 5997551 168134513 /nfs/dbraw/zinc/13/45/13/168134513.db2.gz CUIIHNPMMCYAMK-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN COC(=O)c1cccc(=S)[nH]1 196303126 168134682 /nfs/dbraw/zinc/13/46/82/168134682.db2.gz SRVBCPSQQSBLJP-UHFFFAOYSA-N 0 0 169.205 1.531 10 0 ADAERN COC(=O)c1cccc(N)c1SC 39084443 168134798 /nfs/dbraw/zinc/13/47/98/168134798.db2.gz RJHQGSNOQGQOCA-UHFFFAOYSA-N 0 0 197.259 1.777 10 0 ADAERN COC(=O)c1ccccc1SN 265751 168134854 /nfs/dbraw/zinc/13/48/54/168134854.db2.gz GEUILTLVJDCUJF-UHFFFAOYSA-N 0 0 183.232 1.439 10 0 ADAERN COC(=O)c1ccn2ccnc2c1F 89202640 168134905 /nfs/dbraw/zinc/13/49/05/168134905.db2.gz QGKDAUZUIXEAHO-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN COC(=O)c1ccnn1C(C)(C)C 75852395 168135198 /nfs/dbraw/zinc/13/51/98/168135198.db2.gz QXXXQRKEXCNVNN-UHFFFAOYSA-N 0 0 182.223 1.425 10 0 ADAERN COC(=O)c1cnc2scnc2c1 89229903 168135279 /nfs/dbraw/zinc/13/52/79/168135279.db2.gz YIMJWMNJTWDJJD-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN COC(=O)c1cnc(C)c(C)c1OC 65739701 168135302 /nfs/dbraw/zinc/13/53/02/168135302.db2.gz GGJHECRMGSQBBV-UHFFFAOYSA-N 0 0 195.218 1.494 10 0 in-vitro ADAERN COC(=O)c1ccsc1F 39087211 168135306 /nfs/dbraw/zinc/13/53/06/168135306.db2.gz DQDUDUMFLSERKT-UHFFFAOYSA-N 0 0 160.169 1.674 10 0 ADAERN COC(=O)c1cncc([C@H](C)OC)c1 14451369 168135419 /nfs/dbraw/zinc/13/54/19/168135419.db2.gz JPQOSMXPPUCWDZ-ZETCQYMHSA-N 0 0 195.218 1.576 10 0 ADAERN COC(=O)c1cnc(F)c(F)c1 47202354 168135420 /nfs/dbraw/zinc/13/54/20/168135420.db2.gz JKYOTYZHOIXXGL-UHFFFAOYSA-N 0 0 173.118 1.146 10 0 ADAERN COC(=O)c1ccnn1C1CC1 75852393 168135460 /nfs/dbraw/zinc/13/54/60/168135460.db2.gz QLJPTMPMYPJSLH-UHFFFAOYSA-N 0 0 166.180 1.005 10 0 ADAERN COC(=O)c1cncc([C@@H](C)OC)c1 14451371 168135502 /nfs/dbraw/zinc/13/55/02/168135502.db2.gz JPQOSMXPPUCWDZ-SSDOTTSWSA-N 0 0 195.218 1.576 10 0 ADAERN COC(=O)c1cn2ccnc2cc1C 89202420 168135560 /nfs/dbraw/zinc/13/55/60/168135560.db2.gz OMPFNRCQRNRVLA-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN COC(=O)c1cnnc2ccccc12 34197318 168135565 /nfs/dbraw/zinc/13/55/65/168135565.db2.gz CLFIQIWPJYLXIZ-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN COC(=O)c1cnc2c(ccn2C)c1 95937282 168135612 /nfs/dbraw/zinc/13/56/12/168135612.db2.gz RFLWILHVWKWWLN-UHFFFAOYSA-N 0 0 190.202 1.360 10 0 ADAERN COC(=O)c1cn(N)c2ccccc12 39083548 168135672 /nfs/dbraw/zinc/13/56/72/168135672.db2.gz WMWBGBCKMPMPBA-UHFFFAOYSA-N 0 0 190.202 1.142 10 0 ADAERN COC(=O)c1cnc(C(C)(C)C)cn1 95764222 168135775 /nfs/dbraw/zinc/13/57/75/168135775.db2.gz HUWIYHPNSSRMFG-UHFFFAOYSA-N 0 0 194.234 1.561 10 0 ADAERN COC(=O)c1ccnc2c1ccn2C 95937265 168135799 /nfs/dbraw/zinc/13/57/99/168135799.db2.gz YTYIYSVECKXQPI-UHFFFAOYSA-N 0 0 190.202 1.360 10 0 ADAERN COC(=O)c1cncc(NC(C)C)n1 39082868 168135888 /nfs/dbraw/zinc/13/58/88/168135888.db2.gz MHZXNIWMAYLRAA-UHFFFAOYSA-N 0 0 195.222 1.084 10 0 ADAERN COC(=O)c1cnc2c(c1C)CCN2 82388980 168135893 /nfs/dbraw/zinc/13/58/93/168135893.db2.gz GSPSKAHLDXCLGK-UHFFFAOYSA-N 0 0 192.218 1.145 10 0 ADAERN COC(=O)c1cnc2ccc(F)cn12 89201877 168135985 /nfs/dbraw/zinc/13/59/85/168135985.db2.gz VDBFNKKAOTYBIF-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN COC(=O)c1cnc(SC)c(N)c1 39084562 168135999 /nfs/dbraw/zinc/13/59/99/168135999.db2.gz CFQKPRDVGJPYBI-UHFFFAOYSA-N 0 0 198.247 1.172 10 0 ADAERN COC(=O)c1cn(C)c(NC(C)C)n1 39084465 168136007 /nfs/dbraw/zinc/13/60/07/168136007.db2.gz RBFCJARXPRTMOE-UHFFFAOYSA-N 0 0 197.238 1.027 10 0 ADAERN COC(=O)c1ccsc1NC=O 38890788 168136060 /nfs/dbraw/zinc/13/60/60/168136060.db2.gz CQEIDKILTKZOIQ-UHFFFAOYSA-N 0 0 185.204 1.103 10 0 ADAERN COC(=O)c1cnc2ccncc2c1 57354291 168136068 /nfs/dbraw/zinc/13/60/68/168136068.db2.gz AKDSTRIJDJJPGF-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN COC(=O)c1cnc2sccn12 95932351 168136186 /nfs/dbraw/zinc/13/61/86/168136186.db2.gz BRWBNVLQSUBSKT-UHFFFAOYSA-N 0 0 182.204 1.182 10 0 ADAERN COC(=O)c1cnc2ccc(C)cn12 89201860 168136204 /nfs/dbraw/zinc/13/62/04/168136204.db2.gz QJDDEACCAHZWML-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN COC(=O)c1cnc(F)cc1F 95830357 168136238 /nfs/dbraw/zinc/13/62/38/168136238.db2.gz XSGYYUMTWCUPQN-UHFFFAOYSA-N 0 0 173.118 1.146 10 0 ADAERN COC(=O)c1cn(C(C)C)cn1 32915076 168136354 /nfs/dbraw/zinc/13/63/54/168136354.db2.gz FPISVJZHEXEKFZ-UHFFFAOYSA-N 0 0 168.196 1.251 10 0 ADAERN COC(=O)c1cnc(F)cc1OC 83276194 168136366 /nfs/dbraw/zinc/13/63/66/168136366.db2.gz IEMJMNFFOGIJNI-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COC(=O)c1cncc(C(C)=O)c1C 82388411 168136387 /nfs/dbraw/zinc/13/63/87/168136387.db2.gz NHSPTOAOOHFDLD-UHFFFAOYSA-N 0 0 193.202 1.379 10 0 ADAERN COC(=O)c1nc2ccccn2c1C 113484196 168136823 /nfs/dbraw/zinc/13/68/23/168136823.db2.gz QCIQNQRPRHIWOK-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN COC(=O)c1nc(F)cnc1Cl 98177592 168136943 /nfs/dbraw/zinc/13/69/43/168136943.db2.gz AVALGMBVVYCAAY-UHFFFAOYSA-N 0 0 190.561 1.056 10 0 ADAERN COC(=O)c1coc2cccc(O)c12 61997406 168136960 /nfs/dbraw/zinc/13/69/60/168136960.db2.gz CWOCAHBSTFQEJI-UHFFFAOYSA-N 0 0 192.170 1.925 10 0 ADAERN COC(=O)c1coc2c1CSC2 36466684 168136982 /nfs/dbraw/zinc/13/69/82/168136982.db2.gz IFPHFYVZQCFXBY-UHFFFAOYSA-N 0 0 184.216 1.813 10 0 ADAERN COC(=O)c1n[nH]c2cc(O)ccc12 16678001 168137134 /nfs/dbraw/zinc/13/71/34/168137134.db2.gz SCZCVGGFXRTPII-UHFFFAOYSA-N 0 0 192.174 1.055 10 0 ADAERN COC(=O)c1coc2c1COC2 104835469 168137173 /nfs/dbraw/zinc/13/71/73/168137173.db2.gz YJONDDKKLLULPH-UHFFFAOYSA-N 0 0 168.148 1.096 10 0 ADAERN COC(=O)c1n[nH]c2ccc(O)cc12 43220659 168137179 /nfs/dbraw/zinc/13/71/79/168137179.db2.gz YFWORWKCVYETNX-UHFFFAOYSA-N 0 0 192.174 1.055 10 0 in-vitro ADAERN COC(=O)c1coc2c1[C@@H](O)CCC2 95932350 168137185 /nfs/dbraw/zinc/13/71/85/168137185.db2.gz IQQRJFOXTRUTNR-ZETCQYMHSA-N 0 0 196.202 1.436 10 0 ADAERN COC(=O)c1coc(C=O)c1Cl 82391162 168137194 /nfs/dbraw/zinc/13/71/94/168137194.db2.gz QYGFRFNKHZRUBR-UHFFFAOYSA-N 0 0 188.566 1.532 10 0 ADAERN COC(=O)c1ncc2[nH]ccc2c1F 89212934 168137213 /nfs/dbraw/zinc/13/72/13/168137213.db2.gz WOBPVLQACSARPA-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN COC(=O)c1nccc(C)c1C 38995777 168137219 /nfs/dbraw/zinc/13/72/19/168137219.db2.gz CNAROIAETVNVSO-UHFFFAOYSA-N 0 0 165.192 1.485 10 0 ADAERN COC(=O)c1nc2c(n1C)CCCC2 75852323 168137251 /nfs/dbraw/zinc/13/72/51/168137251.db2.gz FXPMUFPTSDBBDC-UHFFFAOYSA-N 0 0 194.234 1.086 10 0 ADAERN COC(=O)c1nc2ncccc2o1 75852242 168137263 /nfs/dbraw/zinc/13/72/63/168137263.db2.gz OPCBNYMPSPXVRQ-UHFFFAOYSA-N 0 0 178.147 1.009 10 0 ADAERN COC(=O)c1nc2c(s1)COCC2 75852253 168137270 /nfs/dbraw/zinc/13/72/70/168137270.db2.gz DZPFBRQJEVZCPB-UHFFFAOYSA-N 0 0 199.231 1.002 10 0 ADAERN COC(=O)c1ncoc1-c1ccoc1 34152997 168137321 /nfs/dbraw/zinc/13/73/21/168137321.db2.gz PBIULHQYEUKHPR-UHFFFAOYSA-N 0 0 193.158 1.721 10 0 ADAERN COC(=O)c1nc2cnccc2s1 75852257 168137404 /nfs/dbraw/zinc/13/74/04/168137404.db2.gz VELHFFPTGPOEHH-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN COC(=O)c1nc2ncccc2s1 95933443 168137412 /nfs/dbraw/zinc/13/74/12/168137412.db2.gz VHCZKQISDZXZNL-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN COC(=O)c1coc([Si](C)(C)C)c1 169960325 168137476 /nfs/dbraw/zinc/13/74/76/168137476.db2.gz LJNIJBZCIPQGQQ-UHFFFAOYSA-N 0 0 198.294 1.611 10 0 ADAERN COC(=O)c1nc2ccncc2s1 75852255 168137570 /nfs/dbraw/zinc/13/75/70/168137570.db2.gz ABEKCRYFOWJZAL-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN COC(=O)c1cscc1C=O 1627345 168137599 /nfs/dbraw/zinc/13/75/99/168137599.db2.gz NPLGRIRTGZQJIP-UHFFFAOYSA-N 0 0 170.189 1.347 10 0 ADAERN COC(=O)c1coc2c1[C@H](O)CCC2 95932349 168137628 /nfs/dbraw/zinc/13/76/28/168137628.db2.gz IQQRJFOXTRUTNR-SSDOTTSWSA-N 0 0 196.202 1.436 10 0 ADAERN COC(=O)c1n[nH]c2cccc(F)c12 96306735 168137656 /nfs/dbraw/zinc/13/76/56/168137656.db2.gz CRZHEJHYCVPWEC-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 in-vitro ADAERN COC(=O)c1nc(C)c2ccccn12 75852293 168137814 /nfs/dbraw/zinc/13/78/14/168137814.db2.gz BJJMRDONSYYMIB-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN COC(=O)c1nccn1C1CC1 75852240 168137822 /nfs/dbraw/zinc/13/78/22/168137822.db2.gz RBHXERZGJKRYBV-UHFFFAOYSA-N 0 0 166.180 1.005 10 0 ADAERN COC(=O)c1coc2cc(O)ccc12 114496536 168137828 /nfs/dbraw/zinc/13/78/28/168137828.db2.gz WRKIZKFENYJJPJ-UHFFFAOYSA-N 0 0 192.170 1.925 10 0 ADAERN COC(=O)c1ncn2ccsc12 95932354 168137917 /nfs/dbraw/zinc/13/79/17/168137917.db2.gz QRHJTPNWHYMUAB-UHFFFAOYSA-N 0 0 182.204 1.182 10 0 ADAERN COC(=O)c1n[nH]c2cccc(O)c12 4204277 168137967 /nfs/dbraw/zinc/13/79/67/168137967.db2.gz XSKZDDNBWFRWSM-UHFFFAOYSA-N 0 0 192.174 1.055 10 0 ADAERN 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/nfs/dbraw/zinc/17/93/82/168179382.db2.gz PSMSTJOFYOPSMY-UHFFFAOYSA-N 0 0 198.218 1.170 10 0 ADAERN COCOc1cc(OC)ccc1CO 34566023 168179392 /nfs/dbraw/zinc/17/93/92/168179392.db2.gz XCNXIAAWIMGZHF-UHFFFAOYSA-N 0 0 198.218 1.170 10 0 ADAERN COCOc1ccc(N)cc1F 76851635 168179447 /nfs/dbraw/zinc/17/94/47/168179447.db2.gz HOHZLTVLNVPZJU-UHFFFAOYSA-N 0 0 171.171 1.391 10 0 ADAERN COCOc1ccccc1CO 83749059 168179523 /nfs/dbraw/zinc/17/95/23/168179523.db2.gz SGNFJKVRXWNJGY-UHFFFAOYSA-N 0 0 168.192 1.162 10 0 ADAERN COC[C@@H](C)CNc1ccccc1N 45685583 168179563 /nfs/dbraw/zinc/17/95/63/168179563.db2.gz CMCPZZFKNKFBOU-VIFPVBQESA-N 0 0 194.278 1.963 10 0 ADAERN COC[C@@H](C(C)=O)C1CC1 23812959 168179567 /nfs/dbraw/zinc/17/95/67/168179567.db2.gz SAUCMSQMHZUVNY-QMMMGPOBSA-N 0 0 142.198 1.248 10 0 ADAERN COC[C@@H](C)Cn1cccc1C=O 41680181 168179654 /nfs/dbraw/zinc/17/96/54/168179654.db2.gz RKXUYXJDRATPNM-VIFPVBQESA-N 0 0 181.235 1.583 10 0 ADAERN COC[C@@H](C)C(=O)N1CC[C@@H](C)C1 308491153 168179658 /nfs/dbraw/zinc/17/96/58/168179658.db2.gz RHHVGLIOSCMFDP-RKDXNWHRSA-N 0 0 185.267 1.137 10 0 ADAERN COC[C@@H](C)N(C)c1ccc(C=O)o1 50544258 168179955 /nfs/dbraw/zinc/17/99/55/168179955.db2.gz YRVUMWCBOOOUBE-MRVPVSSYSA-N 0 0 197.234 1.563 10 0 ADAERN COC[C@@H](C)Nc1ccc(C)cn1 20555305 168180106 /nfs/dbraw/zinc/18/01/06/168180106.db2.gz PNRYTGKHIMRBLH-SECBINFHSA-N 0 0 180.251 1.837 10 0 ADAERN COC[C@@H](C)N(C)c1ncccc1N 42517379 168180185 /nfs/dbraw/zinc/18/01/85/168180185.db2.gz JRAGXYVKHYGBFZ-MRVPVSSYSA-N 0 0 195.266 1.135 10 0 ADAERN COC[C@@H](C)Nc1cc(N)cc(F)c1 37666695 168180199 /nfs/dbraw/zinc/18/01/99/168180199.db2.gz ZSDMBTHOJDLXAQ-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN COC[C@@H](C)N(C)c1ccc(N)cn1 42517395 168180257 /nfs/dbraw/zinc/18/02/57/168180257.db2.gz ODJTXAJSFBHUBT-MRVPVSSYSA-N 0 0 195.266 1.135 10 0 ADAERN COC[C@@H](C)N(C)c1cccc(N)c1 42517341 168180579 /nfs/dbraw/zinc/18/05/79/168180579.db2.gz SCJSOYUALXUOJP-SECBINFHSA-N 0 0 194.278 1.740 10 0 ADAERN COC[C@@H](C)N(C)c1ccccc1N 49026439 168180915 /nfs/dbraw/zinc/18/09/15/168180915.db2.gz MOWAPPKKXOYANK-SECBINFHSA-N 0 0 194.278 1.740 10 0 ADAERN COC[C@@H](C)N(C)c1ccc(N)nc1 42517333 168180998 /nfs/dbraw/zinc/18/09/98/168180998.db2.gz UDQDKTDFLLQDOP-MRVPVSSYSA-N 0 0 195.266 1.135 10 0 ADAERN COC[C@@H](C)Nc1c(C)n[nH]c1C 53172966 168181311 /nfs/dbraw/zinc/18/13/11/168181311.db2.gz LLHAQYYJPJCXOH-ZCFIWIBFSA-N 0 0 183.255 1.473 10 0 ADAERN COC[C@@H](C)Nc1c(C)nn(C)c1C 53172548 168181953 /nfs/dbraw/zinc/18/19/53/168181953.db2.gz BVNFQMSQHYONTE-SSDOTTSWSA-N 0 0 197.282 1.484 10 0 ADAERN COC[C@@H](C)Nc1cc(F)ccc1N 52119140 168182005 /nfs/dbraw/zinc/18/20/05/168182005.db2.gz HCUPJWROOOXXMX-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN COC[C@@H](O)Cc1cc(C)ccc1C 49672208 168182180 /nfs/dbraw/zinc/18/21/80/168182180.db2.gz ZOLKDFFKCIVRGM-LBPRGKRZSA-N 0 0 194.274 1.853 10 0 ADAERN COC[C@@H](O)CCC(C)C 51697066 168182190 /nfs/dbraw/zinc/18/21/90/168182190.db2.gz CCLITPHOYDKORC-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN COC[C@@H](C)Nc1cccc(F)c1N 37419185 168182201 /nfs/dbraw/zinc/18/22/01/168182201.db2.gz HGJDDLHKUVBLNV-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN COC[C@@H](O)C1CCCC1 49672179 168182207 /nfs/dbraw/zinc/18/22/07/168182207.db2.gz CMVIPRAFJJKOCX-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN COC[C@@H](O)CCC1CCOCC1 52175218 168182212 /nfs/dbraw/zinc/18/22/12/168182212.db2.gz UZEUJTBJWALOMV-JTQLQIEISA-N 0 0 188.267 1.201 10 0 ADAERN COC[C@@H](O)CCc1cccc(C)c1 51697157 168182246 /nfs/dbraw/zinc/18/22/46/168182246.db2.gz MOXYRZYASBIGDS-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN COC[C@@H](O)CCCC(C)C 51697063 168182287 /nfs/dbraw/zinc/18/22/87/168182287.db2.gz CCUQLSMHNSDVBR-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN COC[C@@H](O)CCc1cccs1 51697104 168182298 /nfs/dbraw/zinc/18/22/98/168182298.db2.gz QTTMNWSBWUIGLT-QMMMGPOBSA-N 0 0 186.276 1.688 10 0 ADAERN COC[C@@H](O)Cc1ccccc1OC 43457774 168182311 /nfs/dbraw/zinc/18/23/11/168182311.db2.gz VYJIMTFYYKHBAF-JTQLQIEISA-N 0 0 196.246 1.245 10 0 ADAERN COC[C@@H](C)[C@@H](O)C1CC1 21399395 168182339 /nfs/dbraw/zinc/18/23/39/168182339.db2.gz WTPKQFVGPJPSIB-HTRCEHHLSA-N 0 0 144.214 1.040 10 0 ADAERN COC[C@@H](O)CCc1ccc(F)cc1 51697156 168182439 /nfs/dbraw/zinc/18/24/39/168182439.db2.gz CKNJSPLVHDRGGI-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN COC[C@@H](O)CCc1ccsc1 51697196 168182454 /nfs/dbraw/zinc/18/24/54/168182454.db2.gz IABGJHWLIHPGCG-VIFPVBQESA-N 0 0 186.276 1.688 10 0 ADAERN COC[C@@H](C)n1cc[nH]c1=S 26515818 168182652 /nfs/dbraw/zinc/18/26/52/168182652.db2.gz ORPCOVZPQXRABJ-ZCFIWIBFSA-N 0 0 172.253 1.753 10 0 ADAERN COC[C@@H](C)Nc1cnoc1C 39113343 168182663 /nfs/dbraw/zinc/18/26/63/168182663.db2.gz RILWSCHIYGCMFY-ZCFIWIBFSA-N 0 0 170.212 1.430 10 0 ADAERN COC[C@@H](O)C(C)(C)C 44192864 168182704 /nfs/dbraw/zinc/18/27/04/168182704.db2.gz MCNKQNGPUIQVSN-ZCFIWIBFSA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@@H](C)[C@H](O)C1CC1 21399405 168182871 /nfs/dbraw/zinc/18/28/71/168182871.db2.gz WTPKQFVGPJPSIB-SVRRBLITSA-N 0 0 144.214 1.040 10 0 ADAERN COC[C@@H](O)Cc1ccc(F)cc1 49672229 168182928 /nfs/dbraw/zinc/18/29/28/168182928.db2.gz YAUMQXYLRGOLBK-JTQLQIEISA-N 0 0 184.210 1.376 10 0 ADAERN COC[C@@H](C)Nc1ccc(N)nc1 20382361 168182998 /nfs/dbraw/zinc/18/29/98/168182998.db2.gz VSCWKVJJTXAIHC-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN COC[C@@H](C)n1ccc(=O)c(O)c1C 26496587 168183106 /nfs/dbraw/zinc/18/31/06/168183106.db2.gz UNKPGOPBWXOKIH-SSDOTTSWSA-N 0 0 197.234 1.070 10 0 ADAERN COC[C@@H](C)Nc1cccc(N)c1 34959043 168183128 /nfs/dbraw/zinc/18/31/28/168183128.db2.gz LSWWMKYUPQQURI-MRVPVSSYSA-N 0 0 180.251 1.716 10 0 ADAERN COC[C@@H](C)Nc1ccc(N)cc1F 20474845 168183230 /nfs/dbraw/zinc/18/32/30/168183230.db2.gz HWIGGVLYVQGRDJ-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN COC[C@@H](O)Cc1ccc(C)cc1 49672234 168183425 /nfs/dbraw/zinc/18/34/25/168183425.db2.gz NTWPNMXVQQNDDA-NSHDSACASA-N 0 0 180.247 1.545 10 0 ADAERN COC[C@@H](O)Cc1cc(C)cc(C)c1 49672200 168183430 /nfs/dbraw/zinc/18/34/30/168183430.db2.gz LGRCDBQWGGJASS-LBPRGKRZSA-N 0 0 194.274 1.853 10 0 ADAERN COC[C@@H](O)Cc1cccc(F)c1 49672189 168183455 /nfs/dbraw/zinc/18/34/55/168183455.db2.gz OEKJAVDFINPSPH-JTQLQIEISA-N 0 0 184.210 1.376 10 0 ADAERN COC[C@@H](O)Cc1cccc(C)c1 49672242 168183460 /nfs/dbraw/zinc/18/34/60/168183460.db2.gz WVZJZOIDDUBISG-NSHDSACASA-N 0 0 180.247 1.545 10 0 ADAERN COC[C@@H](C)Nc1ncccc1C 51040854 168183479 /nfs/dbraw/zinc/18/34/79/168183479.db2.gz BDWIYHMAHNJSLN-SECBINFHSA-N 0 0 180.251 1.837 10 0 ADAERN COC[C@@H](C)n1cn[nH]c1=S 20583216 168183485 /nfs/dbraw/zinc/18/34/85/168183485.db2.gz YDNWHEIWPRGLOG-RXMQYKEDSA-N 0 0 173.241 1.148 10 0 ADAERN COC[C@@H](O)Cc1ccc(C)c(C)c1 49672224 168183497 /nfs/dbraw/zinc/18/34/97/168183497.db2.gz AKKDFIZNGKOTMY-LBPRGKRZSA-N 0 0 194.274 1.853 10 0 ADAERN COC[C@@H](O)CCC1CCCC1 51697218 168183520 /nfs/dbraw/zinc/18/35/20/168183520.db2.gz XBRURMCEIOJEBE-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@@H](C)Nc1ncccc1N 20382401 168183577 /nfs/dbraw/zinc/18/35/77/168183577.db2.gz IAWRZYXVNYBPRA-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN COC[C@@H](O)CCc1ccccc1 49672187 168183597 /nfs/dbraw/zinc/18/35/97/168183597.db2.gz CEDYQSWQRXBXOY-NSHDSACASA-N 0 0 180.247 1.627 10 0 ADAERN COC[C@@H](C)Nc1nc(C)cs1 21520650 168183600 /nfs/dbraw/zinc/18/36/00/168183600.db2.gz DRLCUERBORFCFS-ZCFIWIBFSA-N 0 0 186.280 1.898 10 0 ADAERN COC[C@@H](C)Nc1ccc(O)cc1 53174397 168183613 /nfs/dbraw/zinc/18/36/13/168183613.db2.gz WRDYJVQRMFHTJV-MRVPVSSYSA-N 0 0 181.235 1.839 10 0 ADAERN COC[C@@H](C)Nc1ccc(N)cn1 34939571 168183630 /nfs/dbraw/zinc/18/36/30/168183630.db2.gz MGYNLLZGALGBII-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN COC[C@@H](O)CCc1ccccc1F 51697077 168183633 /nfs/dbraw/zinc/18/36/33/168183633.db2.gz RSICUQDFYWIJAY-JTQLQIEISA-N 0 0 198.237 1.766 10 0 ADAERN COC[C@@H](C1CC1)[C@H](C)O 23810639 168183641 /nfs/dbraw/zinc/18/36/41/168183641.db2.gz YNNYUMOJRAHXLB-POYBYMJQSA-N 0 0 144.214 1.040 10 0 ADAERN COC[C@@H](O)Cc1ccccc1 34077738 168183642 /nfs/dbraw/zinc/18/36/42/168183642.db2.gz SEKDDNYKSDRFHP-JTQLQIEISA-N 0 0 166.220 1.236 10 0 ADAERN COC[C@@H](C)Nc1ccc(F)cc1N 20382377 168183648 /nfs/dbraw/zinc/18/36/48/168183648.db2.gz KOFQPRMXBQRSLR-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN COC[C@@H](O)CCc1ccccc1C 51697161 168183658 /nfs/dbraw/zinc/18/36/58/168183658.db2.gz BWMUMZBDBKMMDY-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN COC[C@@H](C)c1nc(C)no1 306227115 168183673 /nfs/dbraw/zinc/18/36/73/168183673.db2.gz WFHCTMZQZUUHQW-RXMQYKEDSA-N 0 0 156.185 1.128 10 0 ADAERN COC[C@@H](O)Cc1ccccc1C 49672182 168183680 /nfs/dbraw/zinc/18/36/80/168183680.db2.gz ZIUPMBWPIIAFCI-NSHDSACASA-N 0 0 180.247 1.545 10 0 ADAERN COC[C@@H](O)CCC=C(C)C 51697040 168183736 /nfs/dbraw/zinc/18/37/36/168183736.db2.gz VCVDZIQGGDIIMK-VIFPVBQESA-N 0 0 158.241 1.740 10 0 ADAERN COC[C@@H](O)CCc1cccc(F)c1 51697150 168183761 /nfs/dbraw/zinc/18/37/61/168183761.db2.gz LABNPGKVHHXNKB-NSHDSACASA-N 0 0 198.237 1.766 10 0 ADAERN COC[C@@H](C)Nc1cccnc1 53171931 168183775 /nfs/dbraw/zinc/18/37/75/168183775.db2.gz QNNBCNPNHGHNLR-MRVPVSSYSA-N 0 0 166.224 1.528 10 0 ADAERN COC[C@@H](O)CCCOC(C)C 51697250 168183778 /nfs/dbraw/zinc/18/37/78/168183778.db2.gz GFJCVQYZSQURQS-VIFPVBQESA-N 0 0 176.256 1.199 10 0 ADAERN COC[C@@H](O)CCc1ccc(C)cc1 51697151 168183809 /nfs/dbraw/zinc/18/38/09/168183809.db2.gz JWKFQPLWHOGQIM-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN COC[C@@H](O)Cc1ccccc1F 49672241 168183878 /nfs/dbraw/zinc/18/38/78/168183878.db2.gz MICPZKSPXUBJIK-VIFPVBQESA-N 0 0 184.210 1.376 10 0 ADAERN COC[C@@H](C)Nc1cccc(O)c1 53172707 168183941 /nfs/dbraw/zinc/18/39/41/168183941.db2.gz LVDIVCJYGRVJHX-MRVPVSSYSA-N 0 0 181.235 1.839 10 0 ADAERN COC[C@@H](NC1CC1)c1nccs1 45206254 168184031 /nfs/dbraw/zinc/18/40/31/168184031.db2.gz ALQHZNXNPFMAPU-MRVPVSSYSA-N 0 0 198.291 1.583 10 0 ADAERN COC[C@@H](C)n1ncc(Cl)c1N 53197649 168184091 /nfs/dbraw/zinc/18/40/91/168184091.db2.gz XBABYBXEEORZMQ-RXMQYKEDSA-N 0 0 189.646 1.326 10 0 ADAERN COC[C@@H](C)n1c(C)n[nH]c1=S 20589191 168184111 /nfs/dbraw/zinc/18/41/11/168184111.db2.gz FFXAMWPNUPJXHU-RXMQYKEDSA-N 0 0 187.268 1.457 10 0 ADAERN COC[C@@H](O)C1CCCCC1 49672175 168184139 /nfs/dbraw/zinc/18/41/39/168184139.db2.gz LBEFVMWRAMEKBM-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@@H]1CCN1C(=O)c1ccco1 334350189 168184473 /nfs/dbraw/zinc/18/44/73/168184473.db2.gz VJNCAOWNQURDNU-QMMMGPOBSA-N 0 0 195.218 1.141 10 0 ADAERN COC[C@@](C)(N)c1noc(C(C)C)n1 53199827 168184500 /nfs/dbraw/zinc/18/45/00/168184500.db2.gz HKWFBDHKFATGRH-SECBINFHSA-N 0 0 199.254 1.013 10 0 ADAERN COC[C@@H]1CCN1C(=O)C(C)(C)C 334647624 168184552 /nfs/dbraw/zinc/18/45/52/168184552.db2.gz PYBJJHZIORJGSZ-QMMMGPOBSA-N 0 0 185.267 1.280 10 0 ADAERN COC[C@@H]1CCN1C(=O)C1(C)CCC1 336278857 168184571 /nfs/dbraw/zinc/18/45/71/168184571.db2.gz INPOTQXEYLQKHI-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN COC[C@@H](O)[C@@H](C)C1CC1 21399281 168184686 /nfs/dbraw/zinc/18/46/86/168184686.db2.gz WVCFKMGOTSEXND-POYBYMJQSA-N 0 0 144.214 1.040 10 0 ADAERN COC[C@@]1(OC)CCCCO1 39089433 168184768 /nfs/dbraw/zinc/18/47/68/168184768.db2.gz BVPDWSSPQDRUJE-MRVPVSSYSA-N 0 0 160.213 1.176 10 0 ADAERN COC[C@@H](O)c1cccs1 49672205 168184831 /nfs/dbraw/zinc/18/48/31/168184831.db2.gz CIPKDDXQZGIVBG-ZCFIWIBFSA-N 0 0 158.222 1.428 10 0 ADAERN COC[C@@H](O)c1ccccc1OC 42325724 168184854 /nfs/dbraw/zinc/18/48/54/168184854.db2.gz ASMHFWYTLQAMHR-SECBINFHSA-N 0 0 182.219 1.375 10 0 ADAERN COC[C@@H]1Cc2ccccc2C[NH2+]1 13797981 168184868 /nfs/dbraw/zinc/18/48/68/168184868.db2.gz IDSUOIGUQHWCCU-NSHDSACASA-N 0 0 177.247 1.347 10 0 in-vivo ADAERN COC[C@@H](O)c1ccc(C)cc1C 44192989 168184897 /nfs/dbraw/zinc/18/48/97/168184897.db2.gz BXIGGOXYNSZUKJ-LLVKDONJSA-N 0 0 180.247 1.983 10 0 ADAERN COC[C@@H]1CCN1C(=O)C1CC=CC1 335852943 168184965 /nfs/dbraw/zinc/18/49/65/168184965.db2.gz LHXFNRABPIQNNQ-JTQLQIEISA-N 0 0 195.262 1.200 10 0 ADAERN COC[C@@H]1CCN1C(=O)C1CCCC1 334963165 168184990 /nfs/dbraw/zinc/18/49/90/168184990.db2.gz LKLTYJNVOSMMGN-JTQLQIEISA-N 0 0 197.278 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168189693 /nfs/dbraw/zinc/18/96/93/168189693.db2.gz WFHCTMZQZUUHQW-YFKPBYRVSA-N 0 0 156.185 1.128 10 0 ADAERN COC[C@H](C)n1c(C)n[nH]c1=S 20589193 168189710 /nfs/dbraw/zinc/18/97/10/168189710.db2.gz FFXAMWPNUPJXHU-YFKPBYRVSA-N 0 0 187.268 1.457 10 0 ADAERN COC[C@H](C)Nc1nc(C)cs1 21520651 168189819 /nfs/dbraw/zinc/18/98/19/168189819.db2.gz DRLCUERBORFCFS-LURJTMIESA-N 0 0 186.280 1.898 10 0 ADAERN COC[C@H](C)[C@H](O)C1CC1 21399410 168189842 /nfs/dbraw/zinc/18/98/42/168189842.db2.gz WTPKQFVGPJPSIB-XPUUQOCRSA-N 0 0 144.214 1.040 10 0 ADAERN COC[C@H](C)Nc1cccc(N)c1 34959042 168189892 /nfs/dbraw/zinc/18/98/92/168189892.db2.gz LSWWMKYUPQQURI-QMMMGPOBSA-N 0 0 180.251 1.716 10 0 ADAERN COC[C@H](C)Nc1ccc(O)cc1 53174396 168189967 /nfs/dbraw/zinc/18/99/67/168189967.db2.gz WRDYJVQRMFHTJV-QMMMGPOBSA-N 0 0 181.235 1.839 10 0 ADAERN COC[C@H](C)Nc1c(C)n[nH]c1C 53172964 168190003 /nfs/dbraw/zinc/19/00/03/168190003.db2.gz LLHAQYYJPJCXOH-LURJTMIESA-N 0 0 183.255 1.473 10 0 ADAERN COC[C@H](C)n1cc[nH]c1=S 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COC[C@H](O)c1ccc2c(c1)OCO2 44192882 168190652 /nfs/dbraw/zinc/19/06/52/168190652.db2.gz UJAQSXQQUDMCEN-QMMMGPOBSA-N 0 0 196.202 1.095 10 0 ADAERN COC[C@H]1CCN1C(=O)C(C)(C)C 334647622 168190663 /nfs/dbraw/zinc/19/06/63/168190663.db2.gz PYBJJHZIORJGSZ-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN COC[C@H]1CCC[C@@H](C)C1=O 104842789 168190717 /nfs/dbraw/zinc/19/07/17/168190717.db2.gz HGAIJYLOMXCHQF-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN COC[C@H](O)Cc1cccc(C)c1 49672243 168190753 /nfs/dbraw/zinc/19/07/53/168190753.db2.gz WVZJZOIDDUBISG-LLVKDONJSA-N 0 0 180.247 1.545 10 0 ADAERN COC[C@H](O)c1cccc(OC)c1 42325739 168190758 /nfs/dbraw/zinc/19/07/58/168190758.db2.gz CGINLSYVHAAIFS-JTQLQIEISA-N 0 0 182.219 1.375 10 0 ADAERN COC[C@H](O)Cc1ccc(C)cc1 49672235 168190761 /nfs/dbraw/zinc/19/07/61/168190761.db2.gz NTWPNMXVQQNDDA-LLVKDONJSA-N 0 0 180.247 1.545 10 0 ADAERN COC[C@H]1CCC[C@H](C)C1=O 104842794 168190778 /nfs/dbraw/zinc/19/07/78/168190778.db2.gz HGAIJYLOMXCHQF-JGVFFNPUSA-N 0 0 156.225 1.638 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1.766 10 0 ADAERN COC[C@H](O)CCC1CCCC1 51697217 168190953 /nfs/dbraw/zinc/19/09/53/168190953.db2.gz XBRURMCEIOJEBE-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@H](O)CCc1ccccc1 49672186 168190970 /nfs/dbraw/zinc/19/09/70/168190970.db2.gz CEDYQSWQRXBXOY-LLVKDONJSA-N 0 0 180.247 1.627 10 0 ADAERN COC[C@H](O)CCc1cccc(C)c1 51697159 168190989 /nfs/dbraw/zinc/19/09/89/168190989.db2.gz MOXYRZYASBIGDS-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN COC[C@H](O)CCc1ccsc1 51697194 168191027 /nfs/dbraw/zinc/19/10/27/168191027.db2.gz IABGJHWLIHPGCG-SECBINFHSA-N 0 0 186.276 1.688 10 0 ADAERN COC[C@H]1CCN1C(=O)C1CC=CC1 335852944 168191035 /nfs/dbraw/zinc/19/10/35/168191035.db2.gz LHXFNRABPIQNNQ-SNVBAGLBSA-N 0 0 195.262 1.200 10 0 ADAERN COC[C@H]1CCN1C(=O)[C@H]1CC1(C)C 334180734 168191083 /nfs/dbraw/zinc/19/10/83/168191083.db2.gz DQNZLFLAZJIHOW-RKDXNWHRSA-N 0 0 197.278 1.280 10 0 ADAERN COC[C@H](O)CCc1cccc(F)c1 51697148 168191106 /nfs/dbraw/zinc/19/11/06/168191106.db2.gz LABNPGKVHHXNKB-LLVKDONJSA-N 0 0 198.237 1.766 10 0 ADAERN COC[C@H](O)c1ccc(C)cc1 42325718 168191123 /nfs/dbraw/zinc/19/11/23/168191123.db2.gz MFYVUIJESTXRHV-JTQLQIEISA-N 0 0 166.220 1.675 10 0 ADAERN COC[C@H](O)CCc1ccccc1C 51697163 168191155 /nfs/dbraw/zinc/19/11/55/168191155.db2.gz BWMUMZBDBKMMDY-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN COC[C@H](O)c1cc(C)cc(C)c1 49672195 168191204 /nfs/dbraw/zinc/19/12/04/168191204.db2.gz AAEGYWUZQXJGQW-NSHDSACASA-N 0 0 180.247 1.983 10 0 ADAERN COC[C@H](O)[C@H](C)c1ccccc1 34077743 168191254 /nfs/dbraw/zinc/19/12/54/168191254.db2.gz RSEVNGYJGWDGOF-KOLCDFICSA-N 0 0 180.247 1.797 10 0 ADAERN COC[C@H](O)Cc1cccc(F)c1 49672188 168191285 /nfs/dbraw/zinc/19/12/85/168191285.db2.gz OEKJAVDFINPSPH-SNVBAGLBSA-N 0 0 184.210 1.376 10 0 ADAERN COC[C@H](O)c1ccc(OC)cc1 42325733 168191385 /nfs/dbraw/zinc/19/13/85/168191385.db2.gz JMJVVGAOZVWKPT-JTQLQIEISA-N 0 0 182.219 1.375 10 0 ADAERN COC[C@H](O)Cc1ccccc1OC 43457773 168191399 /nfs/dbraw/zinc/19/13/99/168191399.db2.gz VYJIMTFYYKHBAF-SNVBAGLBSA-N 0 0 196.246 1.245 10 0 ADAERN COC[C@H](O)c1ccccc1OC 42325721 168191409 /nfs/dbraw/zinc/19/14/09/168191409.db2.gz ASMHFWYTLQAMHR-VIFPVBQESA-N 0 0 182.219 1.375 10 0 ADAERN COC[C@H](O)CCC(C)C 51697067 168191411 /nfs/dbraw/zinc/19/14/11/168191411.db2.gz CCLITPHOYDKORC-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN COC[C@H](NC1CC1)c1nccs1 45206253 168191494 /nfs/dbraw/zinc/19/14/94/168191494.db2.gz ALQHZNXNPFMAPU-QMMMGPOBSA-N 0 0 198.291 1.583 10 0 ADAERN COC[C@H](O)c1ccc(C)cc1C 44192992 168191497 /nfs/dbraw/zinc/19/14/97/168191497.db2.gz BXIGGOXYNSZUKJ-NSHDSACASA-N 0 0 180.247 1.983 10 0 ADAERN COC[C@H](O)CCc1ccc(C)cc1 51697153 168191516 /nfs/dbraw/zinc/19/15/16/168191516.db2.gz JWKFQPLWHOGQIM-GFCCVEGCSA-N 0 0 194.274 1.935 10 0 ADAERN COC[C@H](O)c1ccc(F)cc1 49672232 168191536 /nfs/dbraw/zinc/19/15/36/168191536.db2.gz MKLIQZHGRKSMGK-VIFPVBQESA-N 0 0 170.183 1.506 10 0 ADAERN COC[C@H]1CCN1C(=O)c1ccoc1 336371770 168191625 /nfs/dbraw/zinc/19/16/25/168191625.db2.gz BOISXWBDDAHSQW-SECBINFHSA-N 0 0 195.218 1.141 10 0 ADAERN COC[C@H](O)CCc1cccs1 51697102 168191680 /nfs/dbraw/zinc/19/16/80/168191680.db2.gz QTTMNWSBWUIGLT-MRVPVSSYSA-N 0 0 186.276 1.688 10 0 ADAERN COC[C@H](O)Cc1cc(C)ccc1C 49672209 168191692 /nfs/dbraw/zinc/19/16/92/168191692.db2.gz ZOLKDFFKCIVRGM-GFCCVEGCSA-N 0 0 194.274 1.853 10 0 ADAERN COC[C@H](O)Cc1ccccc1C 49672183 168191707 /nfs/dbraw/zinc/19/17/07/168191707.db2.gz ZIUPMBWPIIAFCI-LLVKDONJSA-N 0 0 180.247 1.545 10 0 ADAERN COC[C@H]1CCCC[C@@H]1CO 62715924 168191714 /nfs/dbraw/zinc/19/17/14/168191714.db2.gz OCSMZEDRXCWUFW-RKDXNWHRSA-N 0 0 158.241 1.432 10 0 ADAERN COC[C@H](O)C(C)(C)C 44192867 168191721 /nfs/dbraw/zinc/19/17/21/168191721.db2.gz MCNKQNGPUIQVSN-LURJTMIESA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@H](O)c1cccc(C)c1 42325748 168191734 /nfs/dbraw/zinc/19/17/34/168191734.db2.gz SPLPMKCCQOILBN-JTQLQIEISA-N 0 0 166.220 1.675 10 0 ADAERN COC[C@H](O)Cc1ccc(F)cc1 49672228 168191737 /nfs/dbraw/zinc/19/17/37/168191737.db2.gz YAUMQXYLRGOLBK-SNVBAGLBSA-N 0 0 184.210 1.376 10 0 ADAERN COC[C@H](O)Cc1ccccc1F 49672240 168191750 /nfs/dbraw/zinc/19/17/50/168191750.db2.gz MICPZKSPXUBJIK-SECBINFHSA-N 0 0 184.210 1.376 10 0 ADAERN COC[C@H](O)CCCOC(C)C 51697251 168191774 /nfs/dbraw/zinc/19/17/74/168191774.db2.gz GFJCVQYZSQURQS-SECBINFHSA-N 0 0 176.256 1.199 10 0 ADAERN COC[C@H](O)[C@H](C)C1CC1 21399298 168191791 /nfs/dbraw/zinc/19/17/91/168191791.db2.gz WVCFKMGOTSEXND-SVRRBLITSA-N 0 0 144.214 1.040 10 0 ADAERN COC[C@H](O)CCc1ccccc1F 51697075 168191863 /nfs/dbraw/zinc/19/18/63/168191863.db2.gz RSICUQDFYWIJAY-SNVBAGLBSA-N 0 0 198.237 1.766 10 0 ADAERN COC[C@H](O)c1cccs1 49672204 168191873 /nfs/dbraw/zinc/19/18/73/168191873.db2.gz CIPKDDXQZGIVBG-LURJTMIESA-N 0 0 158.222 1.428 10 0 ADAERN COC[C@H](O)c1ccc(C)c(C)c1 44192686 168191888 /nfs/dbraw/zinc/19/18/88/168191888.db2.gz SWQKRRUSXNUZNA-NSHDSACASA-N 0 0 180.247 1.983 10 0 ADAERN COC[C@H](O)c1cccc(F)c1 49672184 168191923 /nfs/dbraw/zinc/19/19/23/168191923.db2.gz LXMTUGUSZXJCEH-VIFPVBQESA-N 0 0 170.183 1.506 10 0 ADAERN COC[C@H](O)C1CCCCC1 49672174 168191943 /nfs/dbraw/zinc/19/19/43/168191943.db2.gz LBEFVMWRAMEKBM-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@H]1CCN1C(=O)c1ccco1 334350188 168191955 /nfs/dbraw/zinc/19/19/55/168191955.db2.gz VJNCAOWNQURDNU-MRVPVSSYSA-N 0 0 195.218 1.141 10 0 ADAERN COC[C@H](O)CCC=C(C)C 51697042 168191968 /nfs/dbraw/zinc/19/19/68/168191968.db2.gz VCVDZIQGGDIIMK-SECBINFHSA-N 0 0 158.241 1.740 10 0 ADAERN COC[C@H](O)Cc1cc(C)cc(C)c1 49672201 168191996 /nfs/dbraw/zinc/19/19/96/168191996.db2.gz LGRCDBQWGGJASS-GFCCVEGCSA-N 0 0 194.274 1.853 10 0 ADAERN COC[C@H](O)c1ccccc1C 42325730 168191997 /nfs/dbraw/zinc/19/19/97/168191997.db2.gz PWLSAUVZDRKNIY-JTQLQIEISA-N 0 0 166.220 1.675 10 0 ADAERN COC[C@H](O)c1ccccc1 32133951 168191998 /nfs/dbraw/zinc/19/19/98/168191998.db2.gz DGDIVLMPQVYVGW-VIFPVBQESA-N 0 0 152.193 1.366 10 0 ADAERN COC[C@H](O)CCC1CCOCC1 52175216 168192014 /nfs/dbraw/zinc/19/20/14/168192014.db2.gz UZEUJTBJWALOMV-SNVBAGLBSA-N 0 0 188.267 1.201 10 0 ADAERN COC[C@H](O)CCCC(C)C 51697064 168192023 /nfs/dbraw/zinc/19/20/23/168192023.db2.gz CCUQLSMHNSDVBR-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN COC[C@H](O)c1cc(C)ccc1C 44192861 168192028 /nfs/dbraw/zinc/19/20/28/168192028.db2.gz XLFKEFICJRZIBD-NSHDSACASA-N 0 0 180.247 1.983 10 0 ADAERN COC[C@H]1CCN1C(=O)C1CCCC1 334963166 168192063 /nfs/dbraw/zinc/19/20/63/168192063.db2.gz LKLTYJNVOSMMGN-SNVBAGLBSA-N 0 0 197.278 1.424 10 0 ADAERN COC[C@H](O)c1cc(C)ccc1OC 44192734 168192066 /nfs/dbraw/zinc/19/20/66/168192066.db2.gz SPKFOMSLTMVGCP-JTQLQIEISA-N 0 0 196.246 1.683 10 0 ADAERN COC[C@H]1CCCC(=S)N1C 39124649 168192072 /nfs/dbraw/zinc/19/20/72/168192072.db2.gz GCWIRBGKIUUGAF-SSDOTTSWSA-N 0 0 173.281 1.445 10 0 ADAERN COC[C@H](O)[C@@H](C)C1CC1 21399286 168192077 /nfs/dbraw/zinc/19/20/77/168192077.db2.gz WVCFKMGOTSEXND-XPUUQOCRSA-N 0 0 144.214 1.040 10 0 ADAERN COC[C@H]1CCN1C(=O)C1(C)CCC1 336278856 168192086 /nfs/dbraw/zinc/19/20/86/168192086.db2.gz INPOTQXEYLQKHI-SECBINFHSA-N 0 0 197.278 1.424 10 0 ADAERN COCc1c(NC(C)C)n[nH]c1C 62668722 168192197 /nfs/dbraw/zinc/19/21/97/168192197.db2.gz NZAOCAYBXBDJNS-UHFFFAOYSA-N 0 0 183.255 1.685 10 0 ADAERN COCc1cc(=O)oc(C)c1OC 22005008 168192262 /nfs/dbraw/zinc/19/22/62/168192262.db2.gz ASVIWAFBCOORKY-UHFFFAOYSA-N 0 0 184.191 1.103 10 0 ADAERN COC[C@]12C=C[C@H](CC1=O)C2 6661284 168192370 /nfs/dbraw/zinc/19/23/70/168192370.db2.gz FDMWTALBJHAXIG-VXNVDRBHSA-N 0 0 152.193 1.168 10 0 ADAERN COC[C@]1(OC)CCCCO1 39089432 168192440 /nfs/dbraw/zinc/19/24/40/168192440.db2.gz BVPDWSSPQDRUJE-QMMMGPOBSA-N 0 0 160.213 1.176 10 0 ADAERN COC[C@](C)(N)c1noc(C(C)C)n1 53199828 168192468 /nfs/dbraw/zinc/19/24/68/168192468.db2.gz HKWFBDHKFATGRH-VIFPVBQESA-N 0 0 199.254 1.013 10 0 ADAERN COC[C@H]1CN1CC(C)(C)C 39081059 168192626 /nfs/dbraw/zinc/19/26/26/168192626.db2.gz NQPDXIAGFIBEHT-HNHGDDPOSA-N 0 0 157.257 1.363 10 0 ADAERN COCc1cc(=O)[nH]c(C(C)(C)C)n1 51699998 168192665 /nfs/dbraw/zinc/19/26/65/168192665.db2.gz BPLXICIIGNLQOR-UHFFFAOYSA-N 0 0 196.250 1.214 10 0 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/nfs/dbraw/zinc/19/68/34/168196834.db2.gz VVMANRSEKLGBCJ-UHFFFAOYSA-N 0 0 187.268 1.505 10 0 ADAERN COCc1nc([C@@H]2CC2(C)C)no1 306544901 168196871 /nfs/dbraw/zinc/19/68/71/168196871.db2.gz ZOVMXSPMOPRQAV-LURJTMIESA-N 0 0 182.223 1.730 10 0 ADAERN COCc1nc(C)c(C(C)C)c(N)n1 61687275 168196986 /nfs/dbraw/zinc/19/69/86/168196986.db2.gz NWKMBCDBYCDOOK-UHFFFAOYSA-N 0 0 195.266 1.637 10 0 ADAERN COCc1nc([C@@H](N)C(C)(C)C)no1 41052706 168196995 /nfs/dbraw/zinc/19/69/95/168196995.db2.gz PMHUHGPSEMFVPS-SSDOTTSWSA-N 0 0 199.254 1.262 10 0 ADAERN COCc1nc(C)c([C@H](C)O)s1 44594200 168197030 /nfs/dbraw/zinc/19/70/30/168197030.db2.gz WNJBBVVBPJJDRS-LURJTMIESA-N 0 0 187.264 1.651 10 0 ADAERN COCc1nc(C(C)=O)cs1 70848376 168197124 /nfs/dbraw/zinc/19/71/24/168197124.db2.gz DDYQBVUREZYFEF-UHFFFAOYSA-N 0 0 171.221 1.492 10 0 ADAERN COCc1nc([C@H]2CC2(C)C)no1 306544902 168197141 /nfs/dbraw/zinc/19/71/41/168197141.db2.gz ZOVMXSPMOPRQAV-ZCFIWIBFSA-N 0 0 182.223 1.730 10 0 ADAERN COCc1nc(C)c(C)c(Cl)n1 49672159 168197164 /nfs/dbraw/zinc/19/71/64/168197164.db2.gz IOEBYFIWBDEQDI-UHFFFAOYSA-N 0 0 186.642 1.893 10 0 ADAERN COCc1nc2c(N)cccc2o1 74413101 168197239 /nfs/dbraw/zinc/19/72/39/168197239.db2.gz DSUWCDAOADHKCU-UHFFFAOYSA-N 0 0 178.191 1.556 10 0 ADAERN COCc1ncc(C=O)s1 39134532 168197247 /nfs/dbraw/zinc/19/72/47/168197247.db2.gz MUSZWYGWCDSJBH-UHFFFAOYSA-N 0 0 157.194 1.102 10 0 ADAERN COCc1nc2ccc(CO)cc2o1 75411289 168197342 /nfs/dbraw/zinc/19/73/42/168197342.db2.gz IXQNPDBEQMXHNX-UHFFFAOYSA-N 0 0 193.202 1.467 10 0 ADAERN COCc1nc2cc(O)ccc2o1 58007491 168197361 /nfs/dbraw/zinc/19/73/61/168197361.db2.gz GONXLVGDYREZLE-UHFFFAOYSA-N 0 0 179.175 1.680 10 0 ADAERN COCc1nc([C@H]2C[C@H]2C)no1 307543922 168197439 /nfs/dbraw/zinc/19/74/39/168197439.db2.gz VHULUXUKTQTZFD-RITPCOANSA-N 0 0 168.196 1.339 10 0 ADAERN COCc1nc([C@H](N)C(C)(C)C)no1 41052707 168197449 /nfs/dbraw/zinc/19/74/49/168197449.db2.gz PMHUHGPSEMFVPS-ZETCQYMHSA-N 0 0 199.254 1.262 10 0 ADAERN COCc1nnc(C(C)C)[nH]1 41057079 168197455 /nfs/dbraw/zinc/19/74/55/168197455.db2.gz FQUFJUCBHSWFRX-UHFFFAOYSA-N 0 0 155.201 1.075 10 0 ADAERN COCc1nc2ncccc2o1 74327603 168197491 /nfs/dbraw/zinc/19/74/91/168197491.db2.gz OYXGPAJUQVCCGP-UHFFFAOYSA-N 0 0 164.164 1.369 10 0 ADAERN COCc1nc([C@@H]2C[C@H]2C)no1 307543921 168197497 /nfs/dbraw/zinc/19/74/97/168197497.db2.gz VHULUXUKTQTZFD-PHDIDXHHSA-N 0 0 168.196 1.339 10 0 ADAERN COCc1nnc(CNC(C)(C)C)o1 50616485 168197514 /nfs/dbraw/zinc/19/75/14/168197514.db2.gz KZRZLIZMFIYKGC-UHFFFAOYSA-N 0 0 199.254 1.104 10 0 ADAERN COCn1cc(CO)c2ccccc21 77009342 168197633 /nfs/dbraw/zinc/19/76/33/168197633.db2.gz DHOANRSJVCXLQY-UHFFFAOYSA-N 0 0 191.230 1.738 10 0 ADAERN CON(C)C(=O)/C=C\C(C)C 85473562 168197710 /nfs/dbraw/zinc/19/77/10/168197710.db2.gz ZHUOIUKDYOLZDW-WAYWQWQTSA-N 0 0 157.213 1.218 10 0 ADAERN COCn1cccc1C(C)=O 39069982 168197722 /nfs/dbraw/zinc/19/77/22/168197722.db2.gz AXRHUJRRWAUJMJ-UHFFFAOYSA-N 0 0 153.181 1.295 10 0 ADAERN COCc1scnc1C(=O)OC 57354275 168197757 /nfs/dbraw/zinc/19/77/57/168197757.db2.gz GFQFFFCZLWQTER-UHFFFAOYSA-N 0 0 187.220 1.076 10 0 ADAERN COCc1noc(NC(C)(C)C)n1 53750846 168197796 /nfs/dbraw/zinc/19/77/96/168197796.db2.gz QTANEHWDMXRNCD-UHFFFAOYSA-N 0 0 185.227 1.426 10 0 ADAERN COCc1noc(C(C)(C)F)n1 306170055 168197815 /nfs/dbraw/zinc/19/78/15/168197815.db2.gz YTGYEECTTNBFBW-UHFFFAOYSA-N 0 0 174.175 1.421 10 0 ADAERN CON(C)C(=O)C1CCC(C)CC1 21987870 168197864 /nfs/dbraw/zinc/19/78/64/168197864.db2.gz WIWTTWJLHKRXQH-UHFFFAOYSA-N 0 0 185.267 1.833 10 0 ADAERN COCc1noc(NC(C)C)n1 53750571 168197975 /nfs/dbraw/zinc/19/79/75/168197975.db2.gz NEZXTPCCTMFVCA-UHFFFAOYSA-N 0 0 171.200 1.036 10 0 ADAERN COCn1c(=O)sc2ccccc21 306755227 168197987 /nfs/dbraw/zinc/19/79/87/168197987.db2.gz LBAAPBBNCUYLSO-UHFFFAOYSA-N 0 0 195.243 1.667 10 0 ADAERN COCc1nnsc1Cl 36820339 168198048 /nfs/dbraw/zinc/19/80/48/168198048.db2.gz ISKJKSJRNMZQCM-UHFFFAOYSA-N 0 0 164.617 1.338 10 0 ADAERN COCc1sc(N)nc1C 39284523 168198131 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/nfs/dbraw/zinc/19/91/48/168199148.db2.gz SGGPEEFRJQRELT-UHFFFAOYSA-N 0 0 179.175 1.198 10 0 ADAERN COCn1c(CO)nc2ccccc21 1016354 168199172 /nfs/dbraw/zinc/19/91/72/168199172.db2.gz NYEZKHSPNNKZJN-UHFFFAOYSA-N 0 0 192.218 1.133 10 0 ADAERN COCn1cnc2c1CCCC2 39082268 168199257 /nfs/dbraw/zinc/19/92/57/168199257.db2.gz AYBCPZYFSNPXMV-UHFFFAOYSA-N 0 0 166.224 1.366 10 0 ADAERN CON(C)C(=O)/C=C\C(F)(F)F 98091197 168199265 /nfs/dbraw/zinc/19/92/65/168199265.db2.gz SXKYBBUJTGYOIJ-ARJAWSKDSA-N 0 0 183.129 1.125 10 0 ADAERN CON1C(C)=NC(C)(C)C1(C)C 39089688 168199562 /nfs/dbraw/zinc/19/95/62/168199562.db2.gz BGYPYKIREPMCEJ-UHFFFAOYSA-N 0 0 170.256 1.839 10 0 ADAERN CON(C)c1ccccc1N 36825520 168199575 /nfs/dbraw/zinc/19/95/75/168199575.db2.gz KRAWFOVEUWUVMR-UHFFFAOYSA-N 0 0 152.197 1.266 10 0 ADAERN CONC(=O)/C=C/c1ccc(F)cc1 65538427 168199626 /nfs/dbraw/zinc/19/96/26/168199626.db2.gz IVUJNONKUUSTIE-QPJJXVBHSA-N 0 0 195.193 1.517 10 0 ADAERN CON(C)C(=O)c1ccc(N)cc1C 44748478 168199652 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/nfs/dbraw/zinc/19/99/35/168199935.db2.gz DKBFBOVXTVENAA-UHFFFAOYSA-N 0 0 194.234 1.211 10 0 ADAERN CON(C)[C@H](C)c1ccc(N)cc1 40908917 168199954 /nfs/dbraw/zinc/19/99/54/168199954.db2.gz ZSCHDAVSEQNJSK-MRVPVSSYSA-N 0 0 180.251 1.823 10 0 ADAERN CON(C)c1ccc(C)c(N)c1 61701396 168200019 /nfs/dbraw/zinc/20/00/19/168200019.db2.gz IDIHLEPAZFKZPP-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN CON(C)C(=O)c1cccc(C)c1N 36825455 168200022 /nfs/dbraw/zinc/20/00/22/168200022.db2.gz CPJXSPMKNKFDQJ-UHFFFAOYSA-N 0 0 194.234 1.211 10 0 ADAERN CON(C)c1c(N)cccc1Cl 36825532 168200028 /nfs/dbraw/zinc/20/00/28/168200028.db2.gz RTDBNYSKZNPXEA-UHFFFAOYSA-N 0 0 186.642 1.920 10 0 ADAERN CONC(=O)/C=C\c1ccc(F)cc1 96405165 168200064 /nfs/dbraw/zinc/20/00/64/168200064.db2.gz IVUJNONKUUSTIE-DAXSKMNVSA-N 0 0 195.193 1.517 10 0 ADAERN CON(C)C(=O)c1ccc(N)cc1F 49840634 168200128 /nfs/dbraw/zinc/20/01/28/168200128.db2.gz BIWAWMOGVMZWJH-UHFFFAOYSA-N 0 0 198.197 1.041 10 0 ADAERN CON(C)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 21987832 168200170 /nfs/dbraw/zinc/20/01/70/168200170.db2.gz VYBJOEDGQNFSFO-YIZRAAEISA-N 0 0 183.251 1.442 10 0 ADAERN CON(C)[C@H](C)c1cccc(N)c1 40908253 168200181 /nfs/dbraw/zinc/20/01/81/168200181.db2.gz DCZUUTHUJNIWCN-MRVPVSSYSA-N 0 0 180.251 1.823 10 0 ADAERN CON(C)c1ccc(N)c(C)c1 36825533 168200211 /nfs/dbraw/zinc/20/02/11/168200211.db2.gz FIBSGPLFIJRVLT-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 38325069 168200220 /nfs/dbraw/zinc/20/02/20/168200220.db2.gz VYBJOEDGQNFSFO-HRDYMLBCSA-N 0 0 183.251 1.442 10 0 ADAERN CON(C)Cc1cccc(N)c1 37506556 168200262 /nfs/dbraw/zinc/20/02/62/168200262.db2.gz IGDQCQULESQONK-UHFFFAOYSA-N 0 0 166.224 1.262 10 0 ADAERN CON(C)c1cc(F)ccc1N 52120763 168200293 /nfs/dbraw/zinc/20/02/93/168200293.db2.gz JMRLBTZYBMQZEN-UHFFFAOYSA-N 0 0 170.187 1.406 10 0 ADAERN CON(C)[C@@H](C)c1cccc(N)c1 40908252 168200302 /nfs/dbraw/zinc/20/03/02/168200302.db2.gz DCZUUTHUJNIWCN-QMMMGPOBSA-N 0 0 180.251 1.823 10 0 ADAERN CON(Oc1ccccc1)C(C)=O 39125833 168200332 /nfs/dbraw/zinc/20/03/32/168200332.db2.gz ZNAVSGLAEHSFCS-UHFFFAOYSA-N 0 0 181.191 1.390 10 0 ADAERN CON(C)CCc1ccccc1N 52918394 168200335 /nfs/dbraw/zinc/20/03/35/168200335.db2.gz FOSTVMPNCYUJAC-UHFFFAOYSA-N 0 0 180.251 1.305 10 0 ADAERN CON(C)c1ccc(N)cc1F 36825552 168200342 /nfs/dbraw/zinc/20/03/42/168200342.db2.gz WSQXAFGWFTVEQO-UHFFFAOYSA-N 0 0 170.187 1.406 10 0 ADAERN CON(C)c1c(N)ccc(F)c1F 53165599 168200358 /nfs/dbraw/zinc/20/03/58/168200358.db2.gz MYBZCGSFOJZFRN-UHFFFAOYSA-N 0 0 188.177 1.545 10 0 ADAERN CON(C)C(=O)[C@H]1C[C@@H]2CC[C@H]1C2 38325070 168200368 /nfs/dbraw/zinc/20/03/68/168200368.db2.gz VYBJOEDGQNFSFO-VGMNWLOBSA-N 0 0 183.251 1.442 10 0 ADAERN CON(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 21987830 168200376 /nfs/dbraw/zinc/20/03/76/168200376.db2.gz VYBJOEDGQNFSFO-DJLDLDEBSA-N 0 0 183.251 1.442 10 0 ADAERN CON(C)[C@@H](C)c1ccc(N)cc1 40908916 168200379 /nfs/dbraw/zinc/20/03/79/168200379.db2.gz ZSCHDAVSEQNJSK-QMMMGPOBSA-N 0 0 180.251 1.823 10 0 ADAERN 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62724790 168200777 /nfs/dbraw/zinc/20/07/77/168200777.db2.gz CWSNWTBSHUFOGZ-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN CON(C)c1c(F)cc(N)cc1F 38040197 168200796 /nfs/dbraw/zinc/20/07/96/168200796.db2.gz NBVIHNRDYWZNML-UHFFFAOYSA-N 0 0 188.177 1.545 10 0 ADAERN CON1C(C)(C)CC(O)CC1(C)C 34596855 168200801 /nfs/dbraw/zinc/20/08/01/168200801.db2.gz NYNSFQBRQGSYKP-UHFFFAOYSA-N 0 0 187.283 1.562 10 0 ADAERN CON(C)C(=O)c1ccc(N)c(F)c1 54412833 168200827 /nfs/dbraw/zinc/20/08/27/168200827.db2.gz AJUCWQBDDKGLRA-UHFFFAOYSA-N 0 0 198.197 1.041 10 0 ADAERN CON(C)c1cccc(F)c1N 37419878 168200864 /nfs/dbraw/zinc/20/08/64/168200864.db2.gz MWNLPGOUQKBKGM-UHFFFAOYSA-N 0 0 170.187 1.406 10 0 ADAERN CON1C(=O)Cc2ccccc21 136530505 168200976 /nfs/dbraw/zinc/20/09/76/168200976.db2.gz QWQZZCLZJWDQMF-UHFFFAOYSA-N 0 0 163.176 1.137 10 0 ADAERN CON(C)c1ccc(Cl)cc1N 36825523 168200990 /nfs/dbraw/zinc/20/09/90/168200990.db2.gz AUNDUCKYKMNDSX-UHFFFAOYSA-N 0 0 186.642 1.920 10 0 ADAERN CON(C)c1cc(N)cc(F)c1 37668083 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168223126 /nfs/dbraw/zinc/22/31/26/168223126.db2.gz QJRVTYXCZIYQST-UHFFFAOYSA-N 0 0 162.192 1.880 10 0 ADAERN COc1c(C)cc(C)cc1CCO 82529623 168223153 /nfs/dbraw/zinc/22/31/53/168223153.db2.gz OTJOKVDPPYVGBF-UHFFFAOYSA-N 0 0 180.247 1.847 10 0 ADAERN COc1c(C)cnc(C=O)c1Cl 82392451 168223184 /nfs/dbraw/zinc/22/31/84/168223184.db2.gz LNTUBVYIKIPMJF-UHFFFAOYSA-N 0 0 185.610 1.865 10 0 ADAERN COc1c(-c2ccccc2)nnn1C 84672249 168223195 /nfs/dbraw/zinc/22/31/95/168223195.db2.gz UMOUJDDXXWMORX-UHFFFAOYSA-N 0 0 189.218 1.491 10 0 ADAERN COc1c(C)cc(Cl)cc1NN 82588128 168223198 /nfs/dbraw/zinc/22/31/98/168223198.db2.gz LIYPLAAFHVNBRK-UHFFFAOYSA-N 0 0 186.642 1.943 10 0 ADAERN COc1c(C)cc(C)cc1CO 82529015 168223204 /nfs/dbraw/zinc/22/32/04/168223204.db2.gz PPBDVGUAKZJUNV-UHFFFAOYSA-N 0 0 166.220 1.804 10 0 ADAERN COc1c(C)cc(C)cc1NCCO 82588897 168223358 /nfs/dbraw/zinc/22/33/58/168223358.db2.gz CHAJYHPGONNDML-UHFFFAOYSA-N 0 0 195.262 1.716 10 0 ADAERN COc1c(C)cc(C(N)=O)c(C)c1C 82588695 168223384 /nfs/dbraw/zinc/22/33/84/168223384.db2.gz WMLYKWVUPLQIHF-UHFFFAOYSA-N 0 0 193.246 1.719 10 0 ADAERN COc1c(C)cc(C)cc1C(=O)CO 71506705 168223553 /nfs/dbraw/zinc/22/35/53/168223553.db2.gz XOQBFLZXUVCZMT-UHFFFAOYSA-N 0 0 194.230 1.487 10 0 ADAERN COc1c(C)c(O)cc(O)c1C=O 95935504 168223566 /nfs/dbraw/zinc/22/35/66/168223566.db2.gz OJOCQEXJTITTNM-UHFFFAOYSA-N 0 0 182.175 1.227 10 0 ADAERN COc1[nH]cc(C)c1C 100248491 168223572 /nfs/dbraw/zinc/22/35/72/168223572.db2.gz RMXJKRMQVXJQRR-UHFFFAOYSA-N 0 0 125.171 1.640 10 0 ADAERN COc1c(C)cc(C)cc1C(=O)CN 71506340 168223601 /nfs/dbraw/zinc/22/36/01/168223601.db2.gz JRAONTXTTMQOED-UHFFFAOYSA-N 0 0 193.246 1.453 10 0 ADAERN COc1c(C)cncc1OC1CC1 95729404 168223705 /nfs/dbraw/zinc/22/37/05/168223705.db2.gz JLTPDFRJSUXKKC-UHFFFAOYSA-N 0 0 179.219 1.940 10 0 ADAERN COc1c(C)c(O)cc(O)c1C 15119458 168223714 /nfs/dbraw/zinc/22/37/14/168223714.db2.gz ABKBHWGFPJOYOW-UHFFFAOYSA-N 0 0 168.192 1.723 10 0 ADAERN COc1c(C)ccc(C)c1C(=O)CN 82892527 168223720 /nfs/dbraw/zinc/22/37/20/168223720.db2.gz BPPDNCZUTQQPGQ-UHFFFAOYSA-N 0 0 193.246 1.453 10 0 ADAERN COc1c(C)nc(C2CC2)[nH]c1=O 238851128 168223757 /nfs/dbraw/zinc/22/37/57/168223757.db2.gz FGGXMEIWUCPWCP-UHFFFAOYSA-N 0 0 180.207 1.377 10 0 in-vitro ADAERN COc1c(C)cc(NN)cc1C 39259901 168223773 /nfs/dbraw/zinc/22/37/73/168223773.db2.gz PWRKMGVSFCLCOA-UHFFFAOYSA-N 0 0 166.224 1.598 10 0 ADAERN COc1c(C)cc(C)cc1[C@H](O)CO 71507321 168223844 /nfs/dbraw/zinc/22/38/44/168223844.db2.gz USVLTTKJZLGQTM-SNVBAGLBSA-N 0 0 196.246 1.338 10 0 ADAERN COc1c(C)[nH]c2ncccc12 35569583 168223868 /nfs/dbraw/zinc/22/38/68/168223868.db2.gz FATQCTPNEKZZSD-UHFFFAOYSA-N 0 0 162.192 1.880 10 0 ADAERN COc1c(C)cc(C)cc1[C@H](C)NN 82530839 168223870 /nfs/dbraw/zinc/22/38/70/168223870.db2.gz CZKZVQLKOXIFKH-VIFPVBQESA-N 0 0 194.278 1.836 10 0 ADAERN COc1c(C)cc(C)cc1[C@@H](O)CO 71507322 168223875 /nfs/dbraw/zinc/22/38/75/168223875.db2.gz USVLTTKJZLGQTM-JTQLQIEISA-N 0 0 196.246 1.338 10 0 ADAERN COc1c(C)c[nH]c1C 45802973 168223877 /nfs/dbraw/zinc/22/38/77/168223877.db2.gz IJAONBYQOJZBEJ-UHFFFAOYSA-N 0 0 125.171 1.640 10 0 ADAERN COc1c(C)cccc1[C@H]([NH3+])C(=O)[O-] 82386752 168223893 /nfs/dbraw/zinc/22/38/93/168223893.db2.gz DRFGDVFYOHZBPQ-QMMMGPOBSA-N 0 0 195.218 1.088 10 0 ADAERN COc1c(C)cc(C)cc1NC(N)=O 82588803 168223910 /nfs/dbraw/zinc/22/39/10/168223910.db2.gz GJSKQNGEXGBPNB-UHFFFAOYSA-N 0 0 194.234 1.803 10 0 ADAERN COc1c(C)ccc(CO)c1C 223858864 168223926 /nfs/dbraw/zinc/22/39/26/168223926.db2.gz WPRPPGUGHBZGQH-UHFFFAOYSA-N 0 0 166.220 1.804 10 0 ADAERN COc1c(C)cc2c(c1C=O)OCO2 82387653 168223937 /nfs/dbraw/zinc/22/39/37/168223937.db2.gz FRCPCXWFVCCHSG-UHFFFAOYSA-N 0 0 194.186 1.545 10 0 ADAERN COc1c(C)ccc(O)c1OC 34286140 168224014 /nfs/dbraw/zinc/22/40/14/168224014.db2.gz PZHLHCXQYZCQCF-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN COc1c(C)cc(C(C)=O)cc1O 13334359 168224035 /nfs/dbraw/zinc/22/40/35/168224035.db2.gz UCOYSJMMNKTNHP-UHFFFAOYSA-N 0 0 180.203 1.912 10 0 ADAERN COc1c(C)cc(O)c(OC)c1OC 34196200 168224048 /nfs/dbraw/zinc/22/40/48/168224048.db2.gz YMXNCRSAAWRYDQ-UHFFFAOYSA-N 0 0 198.218 1.726 10 0 ADAERN COc1c(C)nc(C)nc1C 299888988 168224087 /nfs/dbraw/zinc/22/40/87/168224087.db2.gz BPJRLNTYRPVKAA-UHFFFAOYSA-N 0 0 152.197 1.410 10 0 ADAERN COc1c(C(C)=O)ccc(O)c1C 34235806 168224162 /nfs/dbraw/zinc/22/41/62/168224162.db2.gz CCQGUHQJIFXYOW-UHFFFAOYSA-N 0 0 180.203 1.912 10 0 ADAERN COc1c(C)c(C=O)oc(=O)c1C 75575846 168224218 /nfs/dbraw/zinc/22/42/18/168224218.db2.gz SSWIIEOQOQRCLL-UHFFFAOYSA-N 0 0 182.175 1.078 10 0 ADAERN COc1c(C)cc(C)cc1[C@@H](C)NN 82530838 168224254 /nfs/dbraw/zinc/22/42/54/168224254.db2.gz CZKZVQLKOXIFKH-SECBINFHSA-N 0 0 194.278 1.836 10 0 ADAERN COc1c(C)ccc2c1CCN2 39089522 168224339 /nfs/dbraw/zinc/22/43/39/168224339.db2.gz OCRQXJBIMCZVKT-UHFFFAOYSA-N 0 0 163.220 1.972 10 0 ADAERN COc1c(C)cc(C)cc1NN 82587636 168224433 /nfs/dbraw/zinc/22/44/33/168224433.db2.gz YSZFMOSXAMGPSB-UHFFFAOYSA-N 0 0 166.224 1.598 10 0 ADAERN COc1c(N)cccc1C(C)=O 34592590 168224617 /nfs/dbraw/zinc/22/46/17/168224617.db2.gz CIHQWFJLIPWPGY-UHFFFAOYSA-N 0 0 165.192 1.480 10 0 ADAERN COc1c(N)c(O)cc2occc12 75568975 168224623 /nfs/dbraw/zinc/22/46/23/168224623.db2.gz BOHXHPPIFDBWAY-UHFFFAOYSA-N 0 0 179.175 1.729 10 0 ADAERN COc1c(C=O)ccc2oc(C)nc12 82389797 168224636 /nfs/dbraw/zinc/22/46/36/168224636.db2.gz YETWKRURVMVKSE-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN COc1c(CN)oc2ccccc12 82869429 168224700 /nfs/dbraw/zinc/22/47/00/168224700.db2.gz KGVYQGQUYUWENU-UHFFFAOYSA-N 0 0 177.203 1.900 10 0 in-vitro ADAERN COc1c(F)cc(CCO)cc1F 44380687 168224707 /nfs/dbraw/zinc/22/47/07/168224707.db2.gz BJOFWFTXRDJUEI-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN COc1c(N)c2ccccc2[nH]c1=O 8623162 168224712 /nfs/dbraw/zinc/22/47/12/168224712.db2.gz DNCVUWHEFAUUOB-UHFFFAOYSA-N 0 0 190.202 1.119 10 0 ADAERN COc1c(N)cc(C)cc1C(C)=O 83163581 168224720 /nfs/dbraw/zinc/22/47/20/168224720.db2.gz AGBYAGJQGUFYND-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1c(C=O)ccc2c1OCCO2 39374733 168224751 /nfs/dbraw/zinc/22/47/51/168224751.db2.gz BECNOPBXVGSJQF-UHFFFAOYSA-N 0 0 194.186 1.279 10 0 ADAERN COc1c(F)cccc1C(N)=S 83341021 168224761 /nfs/dbraw/zinc/22/47/61/168224761.db2.gz BIHNWCKFUFLLTA-UHFFFAOYSA-N 0 0 185.223 1.469 10 0 ADAERN COc1c(N)ccc2ncsc12 45236220 168224801 /nfs/dbraw/zinc/22/48/01/168224801.db2.gz PCQCGZLJFTZEGO-UHFFFAOYSA-N 0 0 180.232 1.887 10 0 ADAERN COc1c(F)cc(F)cc1CCO 44379862 168224820 /nfs/dbraw/zinc/22/48/20/168224820.db2.gz WHJVNSSOWSTXKK-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN COc1c(N)nc(C)nc1Cl 143628858 168224846 /nfs/dbraw/zinc/22/48/46/168224846.db2.gz KSCLILNHDAFBBP-UHFFFAOYSA-N 0 0 173.603 1.029 10 0 ADAERN COc1c(N)c(=O)oc2ccccc12 196304614 168224934 /nfs/dbraw/zinc/22/49/34/168224934.db2.gz FMMAHOIKHBANKG-UHFFFAOYSA-N 0 0 191.186 1.384 10 0 ADAERN COc1c(Cl)cnc(C=O)c1C 82392450 168224967 /nfs/dbraw/zinc/22/49/67/168224967.db2.gz RNKCBXJFQJJSQX-UHFFFAOYSA-N 0 0 185.610 1.865 10 0 ADAERN COc1c(N(C)C)cc(C)c(N)c1C 83225647 168225043 /nfs/dbraw/zinc/22/50/43/168225043.db2.gz FEWAFVAKTCLCGZ-UHFFFAOYSA-N 0 0 194.278 1.960 10 0 ADAERN COc1c(C=O)[nH]c(C)c1C 39115595 168225048 /nfs/dbraw/zinc/22/50/48/168225048.db2.gz ZZAROJLSPDPNMV-UHFFFAOYSA-N 0 0 153.181 1.453 10 0 ADAERN COc1c(N)ccc2scnc12 45236373 168225058 /nfs/dbraw/zinc/22/50/58/168225058.db2.gz XDDSENWJXVJIHH-UHFFFAOYSA-N 0 0 180.232 1.887 10 0 ADAERN COc1c(C=O)[nH]c2ccccc12 82399213 168225133 /nfs/dbraw/zinc/22/51/33/168225133.db2.gz CWUHFFCMFYWBIO-UHFFFAOYSA-N 0 0 175.187 1.989 10 0 ADAERN COc1c(C=O)cncc1OC1CC1 95730769 168225166 /nfs/dbraw/zinc/22/51/66/168225166.db2.gz AZHXTTHNEMALGE-UHFFFAOYSA-N 0 0 193.202 1.444 10 0 ADAERN COc1c(C=O)c(O)cc2c1CCO2 82387640 168225200 /nfs/dbraw/zinc/22/52/00/168225200.db2.gz RZFBAXYGYWEMGZ-UHFFFAOYSA-N 0 0 194.186 1.148 10 0 ADAERN COc1c(C=O)ccnc1Cl 116457136 168225304 /nfs/dbraw/zinc/22/53/04/168225304.db2.gz BNPDDEMMXMTZNM-UHFFFAOYSA-N 0 0 171.583 1.556 10 0 ADAERN COc1c(F)cnc2cc[nH]c12 44713267 168225369 /nfs/dbraw/zinc/22/53/69/168225369.db2.gz SHNKJSCBKIFYSB-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN COc1c(C=O)cc(N)c2occc12 82389799 168225481 /nfs/dbraw/zinc/22/54/81/168225481.db2.gz VGAJWEKOZVKYNA-UHFFFAOYSA-N 0 0 191.186 1.836 10 0 ADAERN COc1c(Cl)cccc1C(=O)CN 82912225 168225483 /nfs/dbraw/zinc/22/54/83/168225483.db2.gz AXJJUWKJQPSVSM-UHFFFAOYSA-N 0 0 199.637 1.490 10 0 ADAERN COc1c(C=O)ccc2c1ncn2C 98101377 168225498 /nfs/dbraw/zinc/22/54/98/168225498.db2.gz DZHCJBZJBQQXJX-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN COc1c(F)cccc1CC(C)=O 96863307 168225499 /nfs/dbraw/zinc/22/54/99/168225499.db2.gz MZPZAJTYJQRASJ-UHFFFAOYSA-N 0 0 182.194 1.966 10 0 ADAERN COc1c(N)cc(C)cc1CO 75555136 168225515 /nfs/dbraw/zinc/22/55/15/168225515.db2.gz VICDOBFTABNOSR-UHFFFAOYSA-N 0 0 167.208 1.078 10 0 ADAERN COc1c(N)ccc2[nH]ccc12 45823785 168225523 /nfs/dbraw/zinc/22/55/23/168225523.db2.gz FIGGAYWLTWIQNQ-UHFFFAOYSA-N 0 0 162.192 1.759 10 0 ADAERN COc1c(N)cccc1OC1CC1 95730650 168225545 /nfs/dbraw/zinc/22/55/45/168225545.db2.gz NAILAZCMEKYXBO-UHFFFAOYSA-N 0 0 179.219 1.819 10 0 ADAERN COc1c(N)cc(F)cc1N(C)C 96888623 168225547 /nfs/dbraw/zinc/22/55/47/168225547.db2.gz YZBJLBYPWVIHCT-UHFFFAOYSA-N 0 0 184.214 1.483 10 0 ADAERN COc1c(N)ccc2c1ccn2C 82869009 168225560 /nfs/dbraw/zinc/22/55/60/168225560.db2.gz TYZKWUXYBKSWTA-UHFFFAOYSA-N 0 0 176.219 1.769 10 0 ADAERN COc1c(C=O)ccc2c1OCO2 37628129 168225571 /nfs/dbraw/zinc/22/55/71/168225571.db2.gz OOUVEYDKXFXWDO-UHFFFAOYSA-N 0 0 180.159 1.236 10 0 in-vitro ADAERN COc1c(N)cc2c(c1OC)OCC2 82320418 168225619 /nfs/dbraw/zinc/22/56/19/168225619.db2.gz RGHVWTXJNRPYAH-UHFFFAOYSA-N 0 0 195.218 1.221 10 0 ADAERN COc1c(F)cncc1OC1CC1 95728600 168225644 /nfs/dbraw/zinc/22/56/44/168225644.db2.gz IKCNAGJBANQWTK-UHFFFAOYSA-N 0 0 183.182 1.771 10 0 ADAERN COc1c(N)cc(OC)c2[nH]cnc12 113686782 168225724 /nfs/dbraw/zinc/22/57/24/168225724.db2.gz HJCQQGRLFZBVKO-UHFFFAOYSA-N 0 0 193.206 1.162 10 0 ADAERN COc1c(N)cc(C)cc1N 39642485 168225750 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/nfs/dbraw/zinc/23/62/98/168236298.db2.gz PYLZMEBHFVXKQK-UHFFFAOYSA-N 0 0 167.208 1.467 10 0 ADAERN COc1cc(F)c(NN)cc1F 83256536 168236317 /nfs/dbraw/zinc/23/63/17/168236317.db2.gz YXQKJCNWQYAHRN-UHFFFAOYSA-N 0 0 174.150 1.259 10 0 ADAERN COc1cc(N)c(N)c(Cl)c1 113303573 168236322 /nfs/dbraw/zinc/23/63/22/168236322.db2.gz YNJAWFJGCNZGDI-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN COc1cc(F)c(N)cc1O 82406119 168236326 /nfs/dbraw/zinc/23/63/26/168236326.db2.gz RASFWNOKRTYJSX-UHFFFAOYSA-N 0 0 157.144 1.122 10 0 ADAERN COc1cc2[nH]ccc(O)c-2c(=O)c1 27876171 168236555 /nfs/dbraw/zinc/23/65/55/168236555.db2.gz IUNOSHQVWLANIS-UHFFFAOYSA-N 0 0 191.186 1.242 10 0 ADAERN COc1cc(O)cc(N(C)C)c1 95721855 168236570 /nfs/dbraw/zinc/23/65/70/168236570.db2.gz XLYMCNOKUUZRMB-UHFFFAOYSA-N 0 0 167.208 1.467 10 0 ADAERN COc1cc(N)cnc1NCC(C)C 76982582 168236597 /nfs/dbraw/zinc/23/65/97/168236597.db2.gz LUBGHTMJJLSQIN-UHFFFAOYSA-N 0 0 195.266 1.740 10 0 ADAERN COc1cc(O)cc(N=O)c1 20232060 168236603 /nfs/dbraw/zinc/23/66/03/168236603.db2.gz BSOKHJNRKZOGOF-UHFFFAOYSA-N 0 0 153.137 1.799 10 0 ADAERN COc1cc(N)nc(C(C)C)n1 82482664 168236631 /nfs/dbraw/zinc/23/66/31/168236631.db2.gz MLEOJDMMBUILPJ-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN COc1cc(N)ccc1-n1cccn1 82391000 168236635 /nfs/dbraw/zinc/23/66/35/168236635.db2.gz ZCRKYICKLMHTSW-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN COc1cc(O)c2c(c1C)COC2=O 5881668 168236673 /nfs/dbraw/zinc/23/66/73/168236673.db2.gz HGCIJHSDKVUVKB-UHFFFAOYSA-N 0 0 194.186 1.380 10 0 ADAERN COc1cc(NC2CC2)nc(C)n1 82482515 168236686 /nfs/dbraw/zinc/23/66/86/168236686.db2.gz RFKYEZKYGGTQKJ-UHFFFAOYSA-N 0 0 179.223 1.368 10 0 ADAERN COc1cc(O)cc(C)c1O 6069992 168236784 /nfs/dbraw/zinc/23/67/84/168236784.db2.gz RNDWEMBYMPZABZ-UHFFFAOYSA-N 0 0 154.165 1.415 10 0 ADAERN COc1cc(O)c(C)cc1O 39395040 168236814 /nfs/dbraw/zinc/23/68/14/168236814.db2.gz BRIDIXYUUCVCGI-UHFFFAOYSA-N 0 0 154.165 1.415 10 0 ADAERN COc1cc(O)cc(OC)c1C(C)=O 900193 168236818 /nfs/dbraw/zinc/23/68/18/168236818.db2.gz AZRTXUQINTVMDW-UHFFFAOYSA-N 0 0 196.202 1.612 10 0 in-vitro ADAERN COc1cc(O)cc2oc(=O)ccc12 13481528 168236822 /nfs/dbraw/zinc/23/68/22/168236822.db2.gz IFIRYJJHHOCCHT-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 biogenic ADAERN COc1cc(NC(C)C)nc(C)n1 82482514 168236828 /nfs/dbraw/zinc/23/68/28/168236828.db2.gz IPGXFMZXHSRLIW-UHFFFAOYSA-N 0 0 181.239 1.614 10 0 ADAERN COc1cc(N)cc(C)c1O 5419591 168236831 /nfs/dbraw/zinc/23/68/31/168236831.db2.gz ARGLCVKFUNCUFU-UHFFFAOYSA-N 0 0 153.181 1.291 10 0 ADAERN COc1cc(O)cc2c1OCCC2 39090057 168236835 /nfs/dbraw/zinc/23/68/35/168236835.db2.gz LKFWPHXWHFWBAS-UHFFFAOYSA-N 0 0 180.203 1.726 10 0 ADAERN COc1cc(N)cc2nccnc12 82868440 168236871 /nfs/dbraw/zinc/23/68/71/168236871.db2.gz DHVMTRGROJSXDB-UHFFFAOYSA-N 0 0 175.191 1.221 10 0 ADAERN COc1cc(O)ccc1C(N)=S 83340828 168236879 /nfs/dbraw/zinc/23/68/79/168236879.db2.gz FJOFWBCQWNAXPH-UHFFFAOYSA-N 0 0 183.232 1.035 10 0 ADAERN COc1cc(N)cc(Cl)c1O 116175853 168236883 /nfs/dbraw/zinc/23/68/83/168236883.db2.gz QMGOMKXLJMNXAC-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN COc1cc(N)cc(C)c1N 39118202 168236892 /nfs/dbraw/zinc/23/68/92/168236892.db2.gz TUSGIORWPBJIKD-UHFFFAOYSA-N 0 0 152.197 1.168 10 0 ADAERN COc1cc(O)c(N)c2ccoc12 82397393 168236906 /nfs/dbraw/zinc/23/69/06/168236906.db2.gz WTSQWTYDRUMEIQ-UHFFFAOYSA-N 0 0 179.175 1.729 10 0 ADAERN COc1cc(N)cnc1N1CCCC1 76982370 168236922 /nfs/dbraw/zinc/23/69/22/168236922.db2.gz MZHNSVZRFZPHLG-UHFFFAOYSA-N 0 0 193.250 1.273 10 0 ADAERN COc1cc(O)c(C)c(O)c1C 75555806 168236935 /nfs/dbraw/zinc/23/69/35/168236935.db2.gz BPRRKSUPVYPJRD-UHFFFAOYSA-N 0 0 168.192 1.723 10 0 ADAERN COc1cc(NN)c(F)cc1Cl 75579977 168236940 /nfs/dbraw/zinc/23/69/40/168236940.db2.gz BIERXSDNSFWBLQ-UHFFFAOYSA-N 0 0 190.605 1.773 10 0 ADAERN COc1cc(N)ccc1OC1CC1 95728386 168236941 /nfs/dbraw/zinc/23/69/41/168236941.db2.gz DQJZKDFWHNVQTL-UHFFFAOYSA-N 0 0 179.219 1.819 10 0 ADAERN COc1cc(N)ccc1-n1ccnc1 82390989 168236965 /nfs/dbraw/zinc/23/69/65/168236965.db2.gz LAKGOJDXNBKZII-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN COc1cc(N)cc2c1OCCCC2 82389971 168236969 /nfs/dbraw/zinc/23/69/69/168236969.db2.gz ODVUBRKUINKTKI-UHFFFAOYSA-N 0 0 193.246 1.993 10 0 ADAERN COc1cc(N)cnc1NC(C)C 76982588 168236979 /nfs/dbraw/zinc/23/69/79/168236979.db2.gz YXIXFSPYAHWBEQ-UHFFFAOYSA-N 0 0 181.239 1.493 10 0 ADAERN COc1cc(N)nc2ccc(F)cc12 75580529 168237002 /nfs/dbraw/zinc/23/70/02/168237002.db2.gz JEHDKDNFIHEMNQ-UHFFFAOYSA-N 0 0 192.193 1.965 10 0 ADAERN COc1cc(N)cnc1NC1CC1 76982751 168237015 /nfs/dbraw/zinc/23/70/15/168237015.db2.gz MXNFFIDNOQOCGR-UHFFFAOYSA-N 0 0 179.223 1.247 10 0 ADAERN COc1cc(N)cc(C)c1OC 32303105 168237075 /nfs/dbraw/zinc/23/70/75/168237075.db2.gz IZTWKHOMRDRXFU-UHFFFAOYSA-N 0 0 167.208 1.594 10 0 ADAERN COc1cc(O)ccc1N(C)C 95712474 168237082 /nfs/dbraw/zinc/23/70/82/168237082.db2.gz VNLJOKYFWGLCDA-UHFFFAOYSA-N 0 0 167.208 1.467 10 0 ADAERN COc1cc(N)cc2c1NC(=O)CC2 39381959 168237098 /nfs/dbraw/zinc/23/70/98/168237098.db2.gz VWLKSGLAMATFBU-UHFFFAOYSA-N 0 0 192.218 1.162 10 0 ADAERN COc1cc(O)cc(OC)c1C 39074411 168237123 /nfs/dbraw/zinc/23/71/23/168237123.db2.gz UXGHDWLJFHAOMB-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN COc1cc(N)cc2c1OCCC2=O 82388396 168237125 /nfs/dbraw/zinc/23/71/25/168237125.db2.gz PCQVBAAPIKEJLL-UHFFFAOYSA-N 0 0 193.202 1.243 10 0 ADAERN COc1cc(O)c(C)cc1N 211707460 168237128 /nfs/dbraw/zinc/23/71/28/168237128.db2.gz ISHITNOWKSRKFS-UHFFFAOYSA-N 0 0 153.181 1.291 10 0 ADAERN COc1cc(N)nc(C(C)(C)C)n1 82492395 168237175 /nfs/dbraw/zinc/23/71/75/168237175.db2.gz JQVPWFMWMCRIMJ-UHFFFAOYSA-N 0 0 181.239 1.365 10 0 ADAERN COc1cc(O)c(OC)c(O)c1 402009 168237185 /nfs/dbraw/zinc/23/71/85/168237185.db2.gz VQMRYJZWLGXFLR-UHFFFAOYSA-N 0 0 170.164 1.115 10 0 ADAERN COc1cc(O)c2ccc(=O)oc2c1 13481529 168237202 /nfs/dbraw/zinc/23/72/02/168237202.db2.gz CPPAWCQANCLZEO-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN COc1cc(NCC(C)C)nc(C)n1 85485413 168237272 /nfs/dbraw/zinc/23/72/72/168237272.db2.gz PQSWFDMBKLMXPL-UHFFFAOYSA-N 0 0 195.266 1.862 10 0 ADAERN COc1cc(N)cc(Cl)c1N 138400869 168237314 /nfs/dbraw/zinc/23/73/14/168237314.db2.gz MFFWWBLVYHTGMI-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN COc1cc(N)cc(N(C)C)c1 38973189 168237347 /nfs/dbraw/zinc/23/73/47/168237347.db2.gz FRTZPNKFBKWWHR-UHFFFAOYSA-N 0 0 166.224 1.343 10 0 ADAERN COc1cc(O)c(C=O)c2occc12 82389148 168237372 /nfs/dbraw/zinc/23/73/72/168237372.db2.gz PTYAFCYQPNTKGR-UHFFFAOYSA-N 0 0 192.170 1.960 10 0 ADAERN COc1cc(NC(C)C)ncn1 82482164 168237385 /nfs/dbraw/zinc/23/73/85/168237385.db2.gz IRNMYXGUFCQADF-UHFFFAOYSA-N 0 0 167.212 1.306 10 0 ADAERN COc1cc(NC(N)=O)c(C)cc1C 336156790 168237512 /nfs/dbraw/zinc/23/75/12/168237512.db2.gz CFTXTHVXBFNZIN-UHFFFAOYSA-N 0 0 194.234 1.803 10 0 ADAERN COc1cc(=O)c2ccccc2[nH]1 39089929 168237540 /nfs/dbraw/zinc/23/75/40/168237540.db2.gz MNYINUVGUKQTIK-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN COc1cc(O)c(F)c(C=O)c1 140343619 168237549 /nfs/dbraw/zinc/23/75/49/168237549.db2.gz BVPFCUADFTZQIN-UHFFFAOYSA-N 0 0 170.139 1.352 10 0 ADAERN COc1cc(O)ccc1C(=O)N(C)C 95723847 168237581 /nfs/dbraw/zinc/23/75/81/168237581.db2.gz VWCHZFRAJJPBMP-UHFFFAOYSA-N 0 0 195.218 1.103 10 0 ADAERN COc1cc(N=O)ccc1N 141772675 168237605 /nfs/dbraw/zinc/23/76/05/168237605.db2.gz RDKKXNRDOXQYTN-UHFFFAOYSA-N 0 0 152.153 1.675 10 0 ADAERN COc1cc(O)cc(C(C)=O)c1O 101612322 168237612 /nfs/dbraw/zinc/23/76/12/168237612.db2.gz IWEQNPUQLQPSJR-UHFFFAOYSA-N 0 0 182.175 1.309 10 0 biogenic ADAERN COc1cc(O)ccc1C1OCCO1 44228953 168237708 /nfs/dbraw/zinc/23/77/08/168237708.db2.gz QMWHFKXTRSSNLG-UHFFFAOYSA-N 0 0 196.202 1.446 10 0 ADAERN COc1cc(O)c(C)c(OC)c1 14590482 168237718 /nfs/dbraw/zinc/23/77/18/168237718.db2.gz LXUHYMCTFZFCCV-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN COc1cc(O)cc(C(=O)N(C)C)c1 95722416 168237721 /nfs/dbraw/zinc/23/77/21/168237721.db2.gz MYWASOVKISUYMW-UHFFFAOYSA-N 0 0 195.218 1.103 10 0 ADAERN COc1cc(N)cn2cc(C)nc12 76983599 168237764 /nfs/dbraw/zinc/23/77/64/168237764.db2.gz OZKJGOMIQPTTMC-UHFFFAOYSA-N 0 0 177.207 1.234 10 0 ADAERN COc1cc(NC(C)(C)C)ncn1 82482171 168237801 /nfs/dbraw/zinc/23/78/01/168237801.db2.gz IIJOJDNESHZVHJ-UHFFFAOYSA-N 0 0 181.239 1.696 10 0 ADAERN COc1cc(N)cc2c1OCCC2 82397194 168237885 /nfs/dbraw/zinc/23/78/85/168237885.db2.gz FJFPQHGGHFKJMR-UHFFFAOYSA-N 0 0 179.219 1.602 10 0 ADAERN COc1cc(O)c(OC)c(C)c1OC 75600318 168237931 /nfs/dbraw/zinc/23/79/31/168237931.db2.gz FWCDWIWVSCITNN-UHFFFAOYSA-N 0 0 198.218 1.726 10 0 ADAERN COc1cc(O)c2c(c1)C=C2 39059108 168238045 /nfs/dbraw/zinc/23/80/45/168238045.db2.gz AGALAOGSEOTSGZ-UHFFFAOYSA-N 0 0 148.161 1.885 10 0 ADAERN COc1cc(N)ccc1-c1ncc[nH]1 82530188 168238049 /nfs/dbraw/zinc/23/80/49/168238049.db2.gz ULGOZVAUGDNTNG-UHFFFAOYSA-N 0 0 189.218 1.668 10 0 ADAERN COc1cc(N)ccc1-c1ncco1 82530310 168238059 /nfs/dbraw/zinc/23/80/59/168238059.db2.gz YSXSCMSCPZOMNA-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN COc1cc(N)cc2c1N(C)CC2 82397769 168238069 /nfs/dbraw/zinc/23/80/69/168238069.db2.gz NKEJPGLDKPEZSQ-UHFFFAOYSA-N 0 0 178.235 1.270 10 0 ADAERN COc1cc(NN)c(OC)cc1C 82588034 168238129 /nfs/dbraw/zinc/23/81/29/168238129.db2.gz BQJYDYLJYXOSMZ-UHFFFAOYSA-N 0 0 182.223 1.298 10 0 ADAERN COc1cc(N)ccc1-c1nc[nH]n1 82530322 168238185 /nfs/dbraw/zinc/23/81/85/168238185.db2.gz IOUFVXJZFWPYOQ-UHFFFAOYSA-N 0 0 190.206 1.063 10 0 ADAERN COc1cc(O)c(C(C)=O)cc1O 3198635 168238206 /nfs/dbraw/zinc/23/82/06/168238206.db2.gz TXBDGLVJCSOBLF-UHFFFAOYSA-N 0 0 182.175 1.309 10 0 ADAERN COc1cc(O)c(Cl)cc1O 75564921 168238219 /nfs/dbraw/zinc/23/82/19/168238219.db2.gz HZZNREBBIMHWQL-UHFFFAOYSA-N 0 0 174.583 1.760 10 0 ADAERN COc1cc(N)cc2[nH]cnc12 95924478 168238236 /nfs/dbraw/zinc/23/82/36/168238236.db2.gz GUQQUHGLEGUTFX-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN COc1cc(O)c(C(C)=O)cc1C 75569854 168238254 /nfs/dbraw/zinc/23/82/54/168238254.db2.gz SWECHUQYRSDDTF-UHFFFAOYSA-N 0 0 180.203 1.912 10 0 ADAERN COc1cc(OC)c(CO)cc1C 2525471 168238428 /nfs/dbraw/zinc/23/84/28/168238428.db2.gz LNBWSMXVCKZVKZ-UHFFFAOYSA-N 0 0 182.219 1.505 10 0 in-vitro ADAERN COc1cc(=O)[nH]c(C(C)C)n1 147144175 168238447 /nfs/dbraw/zinc/23/84/47/168238447.db2.gz ZVPPHZDHBNMFNI-UHFFFAOYSA-N 0 0 168.196 1.314 10 0 ADAERN COc1cc(OC)c2ncn(C)c2c1 76208362 168238483 /nfs/dbraw/zinc/23/84/83/168238483.db2.gz IPUVJOIHOHTZIH-UHFFFAOYSA-N 0 0 192.218 1.591 10 0 ADAERN COc1cc(OC2CC2)cnc1F 95730492 168238490 /nfs/dbraw/zinc/23/84/90/168238490.db2.gz URUWGTKLVMAHTE-UHFFFAOYSA-N 0 0 183.182 1.771 10 0 ADAERN COc1cc(OC2CC2)cc(C)n1 95730253 168238491 /nfs/dbraw/zinc/23/84/91/168238491.db2.gz DUESJSRBPLGUID-UHFFFAOYSA-N 0 0 179.219 1.940 10 0 ADAERN COc1cc(OC2CC2)cc(N)n1 95729366 168238507 /nfs/dbraw/zinc/23/85/07/168238507.db2.gz MCVDVOBVUCMCDD-UHFFFAOYSA-N 0 0 180.207 1.214 10 0 ADAERN COc1cc(OC2CC2)c(N)cn1 95728238 168238520 /nfs/dbraw/zinc/23/85/20/168238520.db2.gz DVBBCXCEXAQBLM-UHFFFAOYSA-N 0 0 180.207 1.214 10 0 ADAERN COc1cc(OC)c2n[nH]cc2c1 34060848 168238530 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/nfs/dbraw/zinc/26/68/28/168266828.db2.gz AAQWKOHIGOPTPD-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 in-vitro ADAERN COc1ccc2ccncc2c1CO 82778873 168266835 /nfs/dbraw/zinc/26/68/35/168266835.db2.gz XCCAHDSRAXQPPA-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN COc1cccc(-c2cnoc2N)c1 42413681 168266841 /nfs/dbraw/zinc/26/68/41/168266841.db2.gz HJRSREOGBPTZQT-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN COc1ccc2occ(CO)c2c1 142295318 168266864 /nfs/dbraw/zinc/26/68/64/168266864.db2.gz PUCLTBFTMSCAIF-UHFFFAOYSA-N 0 0 178.187 1.934 10 0 ADAERN COc1ccc2oc(=O)n(C)c2c1 382875 168266875 /nfs/dbraw/zinc/26/68/75/168266875.db2.gz NTXAWZUMSUCCCE-UHFFFAOYSA-N 0 0 179.175 1.140 10 0 ADAERN COc1ccc2oc(=O)ccc2c1O 13481526 168266904 /nfs/dbraw/zinc/26/69/04/168266904.db2.gz CIWXNUFLRXYBQV-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN COc1ccc2ncn(C)c2c1OC 95922708 168266930 /nfs/dbraw/zinc/26/69/30/168266930.db2.gz KSOJGFYZLALMRD-UHFFFAOYSA-N 0 0 192.218 1.591 10 0 ADAERN COc1cccc(-c2[nH]cnc2N)c1 105866428 168266937 /nfs/dbraw/zinc/26/69/37/168266937.db2.gz ZPBIAGVKFZXWQF-UHFFFAOYSA-N 0 0 189.218 1.668 10 0 ADAERN COc1ccc2cnn(C(C)=O)c2c1 39126259 168266959 /nfs/dbraw/zinc/26/69/59/168266959.db2.gz DXZXISZFZCTEFE-UHFFFAOYSA-N 0 0 190.202 1.705 10 0 ADAERN COc1ccc2oc(=NN)[nH]c2c1 34240043 168266990 /nfs/dbraw/zinc/26/69/90/168266990.db2.gz FUIHMKXYOCJAGZ-UHFFFAOYSA-N 0 0 179.179 1.122 10 0 ADAERN COc1ccc2nc(C)c(=O)oc2c1 196293030 168267033 /nfs/dbraw/zinc/26/70/33/168267033.db2.gz QYCUHTSOEFSVGI-UHFFFAOYSA-N 0 0 191.186 1.505 10 0 ADAERN COc1ccc2ncc(Cl)n2n1 299889690 168267037 /nfs/dbraw/zinc/26/70/37/168267037.db2.gz NFBWVMDYYLSZJU-UHFFFAOYSA-N 0 0 183.598 1.391 10 0 ADAERN COc1ccc2sc(CO)nc2c1 75844626 168267062 /nfs/dbraw/zinc/26/70/62/168267062.db2.gz YDCRXKDFTJBEHW-UHFFFAOYSA-N 0 0 195.243 1.797 10 0 ADAERN COc1cccc(-n2cc[nH]c2=O)c1 87665575 168267084 /nfs/dbraw/zinc/26/70/84/168267084.db2.gz IXFWLARXMJJMFZ-UHFFFAOYSA-N 0 0 190.202 1.174 10 0 ADAERN COc1ccc2scnc2c1N 35344776 168267098 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/nfs/dbraw/zinc/30/99/22/168309922.db2.gz CUKYBSIUPGLCRU-UHFFFAOYSA-N 0 0 168.265 1.881 10 0 ADAERN CSc1c(N)nc(N)nc1Cl 2021656 168309934 /nfs/dbraw/zinc/30/99/34/168309934.db2.gz QQRJUWIHLNBDQF-UHFFFAOYSA-N 0 0 190.659 1.016 10 0 ADAERN CSc1c[nH]c(-c2ncc[nH]2)n1 26959111 168309953 /nfs/dbraw/zinc/30/99/53/168309953.db2.gz OIYRVYKHXZPQCQ-UHFFFAOYSA-N 0 0 180.236 1.522 10 0 ADAERN CSc1cc(N)sn1 104637630 168309978 /nfs/dbraw/zinc/30/99/78/168309978.db2.gz ZUUNBIXYOSJXNQ-UHFFFAOYSA-N 0 0 146.240 1.447 10 0 ADAERN CSc1cc(O)ccc1C=O 95723568 168309991 /nfs/dbraw/zinc/30/99/91/168309991.db2.gz BHMYNJJCBDIVSE-UHFFFAOYSA-N 0 0 168.217 1.927 10 0 ADAERN CS[C@](C)(Cl)C(C)=O 39125702 168310032 /nfs/dbraw/zinc/31/00/32/168310032.db2.gz XVSNWNFEWBVJLP-YFKPBYRVSA-N 0 0 152.646 1.893 10 0 ADAERN CSc1cc(=S)[nH]cn1 205761576 168310090 /nfs/dbraw/zinc/31/00/90/168310090.db2.gz OGTFGEDYQQFWQD-UHFFFAOYSA-N 0 0 158.251 1.861 10 0 ADAERN CSc1ccc(C=O)n1C 39062798 168310307 /nfs/dbraw/zinc/31/03/07/168310307.db2.gz OFEKQVWXFQJXRI-UHFFFAOYSA-N 0 0 155.222 1.560 10 0 ADAERN CSc1ccc(N)c(C)c1N 34768581 168310466 /nfs/dbraw/zinc/31/04/66/168310466.db2.gz MUHKRBRSQPKJCB-UHFFFAOYSA-N 0 0 168.265 1.881 10 0 ADAERN CSc1ccc(OC(=O)CN)cc1 218405428 168310515 /nfs/dbraw/zinc/31/05/15/168310515.db2.gz YPLKSBLBUIQPCQ-UHFFFAOYSA-N 0 0 197.259 1.273 10 0 ADAERN CSc1ccc(NCC(N)=O)cc1 20043726 168310530 /nfs/dbraw/zinc/31/05/30/168310530.db2.gz JYFPLNSNKHVBAI-UHFFFAOYSA-N 0 0 196.275 1.306 10 0 ADAERN CSc1ccc([C@H](C)NN)cc1 19836379 168310600 /nfs/dbraw/zinc/31/06/00/168310600.db2.gz KQHVRKGDYATHNP-ZETCQYMHSA-N 0 0 182.292 1.933 10 0 ADAERN CSc1ccc([C@@H]2CC(=O)N2)cc1 44257058 168310613 /nfs/dbraw/zinc/31/06/13/168310613.db2.gz QKCCKUKITQNXBP-VIFPVBQESA-N 0 0 193.271 1.970 10 0 ADAERN CSc1ccc(C(C)=O)[nH]1 39070116 168310670 /nfs/dbraw/zinc/31/06/70/168310670.db2.gz FUDKAOKHLYUBIT-UHFFFAOYSA-N 0 0 155.222 1.939 10 0 ADAERN CSc1ccc(O)c(N)c1 75542238 168310675 /nfs/dbraw/zinc/31/06/75/168310675.db2.gz QYZVGTFFURZZSB-UHFFFAOYSA-N 0 0 155.222 1.696 10 0 ADAERN CSc1ccc(C(N)=O)c(O)c1 95725191 168310708 /nfs/dbraw/zinc/31/07/08/168310708.db2.gz TZWDNMMEIIXAHM-UHFFFAOYSA-N 0 0 183.232 1.213 10 0 ADAERN CSc1ccc(CNC(N)=O)cc1 77296045 168310774 /nfs/dbraw/zinc/31/07/74/168310774.db2.gz WOBNYYBTDZDFKQ-UHFFFAOYSA-N 0 0 196.275 1.577 10 0 ADAERN CSc1ccc(C=O)cc1O 95722705 168310795 /nfs/dbraw/zinc/31/07/95/168310795.db2.gz GVGFPSJIXWCGRC-UHFFFAOYSA-N 0 0 168.217 1.927 10 0 ADAERN CSc1ccc(O)cc1C=O 95720149 168310804 /nfs/dbraw/zinc/31/08/04/168310804.db2.gz IIEZZYWOCSPANE-UHFFFAOYSA-N 0 0 168.217 1.927 10 0 ADAERN CSc1ccc(C=O)c(O)c1 75556344 168310845 /nfs/dbraw/zinc/31/08/45/168310845.db2.gz CDBMMUODDOBLJH-UHFFFAOYSA-N 0 0 168.217 1.927 10 0 ADAERN CSc1ccc(C(C)=O)n1C 39072471 168310893 /nfs/dbraw/zinc/31/08/93/168310893.db2.gz IWCCUGSDQZIIER-UHFFFAOYSA-N 0 0 169.249 1.950 10 0 ADAERN CSc1ccc(C(N)=O)cc1N 38063484 168310897 /nfs/dbraw/zinc/31/08/97/168310897.db2.gz HVBBTGDKZFDWPJ-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN CSc1ccc(O)cc1N 95723456 168310901 /nfs/dbraw/zinc/31/09/01/168310901.db2.gz QBHRPDNGQABYFE-UHFFFAOYSA-N 0 0 155.222 1.696 10 0 ADAERN CSc1ccc(N)[nH]1 107109584 168310911 /nfs/dbraw/zinc/31/09/11/168310911.db2.gz WLQDQIJCZJKVGD-UHFFFAOYSA-N 0 0 128.200 1.319 10 0 ADAERN CSc1ccc(N)cc1O 48520895 168310925 /nfs/dbraw/zinc/31/09/25/168310925.db2.gz QVCHPPLKVDUHGE-UHFFFAOYSA-N 0 0 155.222 1.696 10 0 ADAERN CSc1ccc(CO)c(N)c1 223855316 168311006 /nfs/dbraw/zinc/31/10/06/168311006.db2.gz TUVDVJZYGDVSFR-UHFFFAOYSA-N 0 0 169.249 1.483 10 0 ADAERN CSc1ccc(C(N)=O)cc1 34330013 168311018 /nfs/dbraw/zinc/31/10/18/168311018.db2.gz RZUUQFHMHZAXNP-UHFFFAOYSA-N 0 0 167.233 1.507 10 0 ADAERN CSc1ccc(N)n1C 107107962 168311076 /nfs/dbraw/zinc/31/10/76/168311076.db2.gz CDUWOMOHWSBCGI-UHFFFAOYSA-N 0 0 142.227 1.329 10 0 ADAERN CSc1ccc(C(N)=O)cc1O 95723436 168311092 /nfs/dbraw/zinc/31/10/92/168311092.db2.gz GZKWCRIESSZWDC-UHFFFAOYSA-N 0 0 183.232 1.213 10 0 ADAERN CSc1ccc([C@@H](O)CO)cc1 83265266 168311130 /nfs/dbraw/zinc/31/11/30/168311130.db2.gz CWCDUBUWJJQGKZ-VIFPVBQESA-N 0 0 184.260 1.434 10 0 ADAERN CSc1ccc(N)c2nonc12 38063486 168311131 /nfs/dbraw/zinc/31/11/31/168311131.db2.gz RAHZUWMGXCWSRP-UHFFFAOYSA-N 0 0 181.220 1.527 10 0 ADAERN CSc1ccc(NC(C)=O)nn1 11738728 168311155 /nfs/dbraw/zinc/31/11/55/168311155.db2.gz TWZKKOCJPNJQQY-UHFFFAOYSA-N 0 0 183.236 1.157 10 0 ADAERN CSc1ccc([C@@H](C)NN)cc1 19836377 168311233 /nfs/dbraw/zinc/31/12/33/168311233.db2.gz KQHVRKGDYATHNP-SSDOTTSWSA-N 0 0 182.292 1.933 10 0 ADAERN CSc1ccc(O)cc1C(N)=O 95722810 168311261 /nfs/dbraw/zinc/31/12/61/168311261.db2.gz WRPLEQFAGPGDPW-UHFFFAOYSA-N 0 0 183.232 1.213 10 0 ADAERN CSc1ccc(NC(N)=O)nc1 307353535 168311323 /nfs/dbraw/zinc/31/13/23/168311323.db2.gz CTGRGKSNYCDYGP-UHFFFAOYSA-N 0 0 183.236 1.294 10 0 ADAERN CSc1ccc(N)c(C(N)=O)c1 34142871 168311405 /nfs/dbraw/zinc/31/14/05/168311405.db2.gz PZZURUMNXPMHDN-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN CSc1ccc(CC(N)=O)cc1 82588019 168311454 /nfs/dbraw/zinc/31/14/54/168311454.db2.gz ZXTGHYFYOBLYKC-UHFFFAOYSA-N 0 0 181.260 1.436 10 0 ADAERN CSc1ccc(OC2CC2)c(N)n1 95732936 168311461 /nfs/dbraw/zinc/31/14/61/168311461.db2.gz HVWSOJDQVADKAA-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1ccc(C(=O)CO)cc1 50161277 168311569 /nfs/dbraw/zinc/31/15/69/168311569.db2.gz AXSNYAOTULAPDY-UHFFFAOYSA-N 0 0 182.244 1.584 10 0 ADAERN CSc1ccc(N)cc1C(N)=O 41046236 168311571 /nfs/dbraw/zinc/31/15/71/168311571.db2.gz UZMVFLDKXVDBBS-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN CSc1ccc(NCCO)cc1 20043878 168311613 /nfs/dbraw/zinc/31/16/13/168311613.db2.gz ATXPNNVSFRUNGQ-UHFFFAOYSA-N 0 0 183.276 1.813 10 0 ADAERN CSc1ccnc(N(C)C)n1 211684220 168311787 /nfs/dbraw/zinc/31/17/87/168311787.db2.gz PKDTYQLYIIUBDT-UHFFFAOYSA-N 0 0 169.253 1.265 10 0 ADAERN CSc1cccc(N)c1C(N)=O 198595158 168311807 /nfs/dbraw/zinc/31/18/07/168311807.db2.gz YQZJPQVLBJRIII-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN CSc1ccc2c(c1)NC(=O)[C@H]2N 103388089 168311873 /nfs/dbraw/zinc/31/18/73/168311873.db2.gz JIAKHJIBUQONAX-QMMMGPOBSA-N 0 0 194.259 1.360 10 0 ADAERN CSc1ccnc(C)n1 39053330 168311887 /nfs/dbraw/zinc/31/18/87/168311887.db2.gz PSMFJGXGZDKEQM-UHFFFAOYSA-N 0 0 140.211 1.507 10 0 ADAERN CSc1ccc[nH]1 34598848 168311970 /nfs/dbraw/zinc/31/19/70/168311970.db2.gz VPNDTMYJCNBLAI-UHFFFAOYSA-N 0 0 113.185 1.737 10 0 ADAERN CSc1ccncc1C=O 39062489 168312023 /nfs/dbraw/zinc/31/20/23/168312023.db2.gz HBOKKMVLNKZRBT-UHFFFAOYSA-N 0 0 153.206 1.616 10 0 ADAERN CSc1ccncc1O 39051554 168312026 /nfs/dbraw/zinc/31/20/26/168312026.db2.gz ZLUZYPOQLNQREW-UHFFFAOYSA-N 0 0 141.195 1.509 10 0 ADAERN CSc1ccc2oc(=NN)[nH]c2c1 75598055 168312035 /nfs/dbraw/zinc/31/20/35/168312035.db2.gz WCAISDFASJUSMK-UHFFFAOYSA-N 0 0 195.247 1.835 10 0 ADAERN CSc1ccoc1C=O 34575047 168312132 /nfs/dbraw/zinc/31/21/32/168312132.db2.gz CNSQRMKYOYEHTD-UHFFFAOYSA-N 0 0 142.179 1.814 10 0 ADAERN CSc1cccnn1 1605910 168312150 /nfs/dbraw/zinc/31/21/50/168312150.db2.gz MXMJHNGIWGMNIG-UHFFFAOYSA-N 0 0 126.184 1.199 10 0 ADAERN CSc1cccc(C=O)c1O 75556340 168312154 /nfs/dbraw/zinc/31/21/54/168312154.db2.gz HYCFWHIAROXTSC-UHFFFAOYSA-N 0 0 168.217 1.927 10 0 ADAERN CSc1ccccc1[C@H]([NH3+])C(=O)[O-] 72191131 168312185 /nfs/dbraw/zinc/31/21/85/168312185.db2.gz XLFWPOYEJYUFBL-QMMMGPOBSA-N 0 0 197.259 1.493 10 0 ADAERN CSc1ccnc(N)c1OC1CC1 95733192 168312207 /nfs/dbraw/zinc/31/22/07/168312207.db2.gz HEXBVRHFVXHGBC-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1cccc(NCCO)c1 20039069 168312404 /nfs/dbraw/zinc/31/24/04/168312404.db2.gz IDBZTKNUIYQRQG-UHFFFAOYSA-N 0 0 183.276 1.813 10 0 ADAERN CSc1cccc(N)c1N 95930824 168312417 /nfs/dbraw/zinc/31/24/17/168312417.db2.gz MAODRSNVSCQCBQ-UHFFFAOYSA-N 0 0 154.238 1.573 10 0 ADAERN CSc1ccnc2n[nH]cc12 4771837 168312448 /nfs/dbraw/zinc/31/24/48/168312448.db2.gz XHTKCYURWROBCR-UHFFFAOYSA-N 0 0 165.221 1.680 10 0 ADAERN CSc1cccc(N)c1O 95720373 168312468 /nfs/dbraw/zinc/31/24/68/168312468.db2.gz BZMCVKRLPJBBPM-UHFFFAOYSA-N 0 0 155.222 1.696 10 0 ADAERN CSc1ccc([C@H](O)CO)cc1 83265265 168312544 /nfs/dbraw/zinc/31/25/44/168312544.db2.gz CWCDUBUWJJQGKZ-SECBINFHSA-N 0 0 184.260 1.434 10 0 ADAERN CSc1cccc(C=O)n1 39062386 168312547 /nfs/dbraw/zinc/31/25/47/168312547.db2.gz QVYAMTAWGBAROE-UHFFFAOYSA-N 0 0 153.206 1.616 10 0 ADAERN CSc1cccc([C@@H]([NH3+])C(=O)[O-])c1 82910454 168312555 /nfs/dbraw/zinc/31/25/55/168312555.db2.gz PAHIJVBUIZEQCP-MRVPVSSYSA-N 0 0 197.259 1.493 10 0 ADAERN CSc1cccc(F)n1 19616144 168312562 /nfs/dbraw/zinc/31/25/62/168312562.db2.gz WOOHSSSKQGPGOS-UHFFFAOYSA-N 0 0 143.186 1.943 10 0 ADAERN CSc1ccc2c(c1)NC(=O)[C@@H]2N 38063774 168312590 /nfs/dbraw/zinc/31/25/90/168312590.db2.gz JIAKHJIBUQONAX-MRVPVSSYSA-N 0 0 194.259 1.360 10 0 ADAERN CSc1ccc2c[nH]nc2n1 89224841 168312595 /nfs/dbraw/zinc/31/25/95/168312595.db2.gz DCPOQMYCTUUKQY-UHFFFAOYSA-N 0 0 165.221 1.680 10 0 ADAERN CSc1cccc(NCC(N)=O)c1 20038939 168312599 /nfs/dbraw/zinc/31/25/99/168312599.db2.gz GVBHTCOALKJYBZ-UHFFFAOYSA-N 0 0 196.275 1.306 10 0 ADAERN CSc1cccc2c1C(=O)CNC2 75581390 168312619 /nfs/dbraw/zinc/31/26/19/168312619.db2.gz WSXYEEMEJWCHFH-UHFFFAOYSA-N 0 0 193.271 1.694 10 0 ADAERN CSc1cccc(CC(N)=O)c1 37593942 168312774 /nfs/dbraw/zinc/31/27/74/168312774.db2.gz WSFBZODTDLLSOC-UHFFFAOYSA-N 0 0 181.260 1.436 10 0 ADAERN CSc1cccc([C@H]([NH3+])C(=O)[O-])c1 72191132 168312812 /nfs/dbraw/zinc/31/28/12/168312812.db2.gz PAHIJVBUIZEQCP-QMMMGPOBSA-N 0 0 197.259 1.493 10 0 ADAERN CSc1ccccc1CC(N)=O 116544499 168312814 /nfs/dbraw/zinc/31/28/14/168312814.db2.gz AAOPCWFMTGMZRB-UHFFFAOYSA-N 0 0 181.260 1.436 10 0 ADAERN CSc1cccc(O)c1C=O 95719715 168312930 /nfs/dbraw/zinc/31/29/30/168312930.db2.gz XZBFLBJQXPHRJR-UHFFFAOYSA-N 0 0 168.217 1.927 10 0 ADAERN CSc1ccc2c(c1)C(=O)C(=O)N2 22162334 168312962 /nfs/dbraw/zinc/31/29/62/168312962.db2.gz QXXPJYJSTKYYTB-UHFFFAOYSA-N 0 0 193.227 1.543 10 0 ADAERN CSc1ccc2c(c1)CNCC2=O 75581389 168312976 /nfs/dbraw/zinc/31/29/76/168312976.db2.gz FEAQQJNMBZBAKN-UHFFFAOYSA-N 0 0 193.271 1.694 10 0 ADAERN CSc1cccc(C(N)=O)c1O 95713187 168313156 /nfs/dbraw/zinc/31/31/56/168313156.db2.gz UILHYNKSOWJSLY-UHFFFAOYSA-N 0 0 183.232 1.213 10 0 ADAERN CSc1ccc2oc(=O)[nH]c2c1 82395958 168313198 /nfs/dbraw/zinc/31/31/98/168313198.db2.gz JDKJREJCFABWFX-UHFFFAOYSA-N 0 0 181.216 1.843 10 0 ADAERN CSc1ccc([C@H]2CC(=O)N2)cc1 44257062 168313218 /nfs/dbraw/zinc/31/32/18/168313218.db2.gz QKCCKUKITQNXBP-SECBINFHSA-N 0 0 193.271 1.970 10 0 ADAERN CSc1cccc(O)c1N 95722360 168313294 /nfs/dbraw/zinc/31/32/94/168313294.db2.gz WXUHUBSUIVPBGI-UHFFFAOYSA-N 0 0 155.222 1.696 10 0 ADAERN CSc1cccc(O)c1C(N)=O 95720323 168313300 /nfs/dbraw/zinc/31/33/00/168313300.db2.gz ASOZEEZLPAPAMH-UHFFFAOYSA-N 0 0 183.232 1.213 10 0 ADAERN CSc1ccc2c(c1)NC(=O)CO2 1475808 168313313 /nfs/dbraw/zinc/31/33/13/168313313.db2.gz KAZFDIMQUHJRMR-UHFFFAOYSA-N 0 0 195.243 1.739 10 0 ADAERN CSc1cccc(=O)[nH]1 39051793 168313332 /nfs/dbraw/zinc/31/33/32/168313332.db2.gz KQVQDDHVAADXMD-UHFFFAOYSA-N 0 0 141.195 1.509 10 0 ADAERN CSc1cccnc1C=O 34184544 168313343 /nfs/dbraw/zinc/31/33/43/168313343.db2.gz JIYCYYVLGCRZSH-UHFFFAOYSA-N 0 0 153.206 1.616 10 0 ADAERN CSc1nc(N)c(C)c(Cl)n1 60048680 168313478 /nfs/dbraw/zinc/31/34/78/168313478.db2.gz BBEWOFSLDIKZDE-UHFFFAOYSA-N 0 0 189.671 1.743 10 0 ADAERN CSc1nc(N)c2c(n1)CCC2 75575742 168313509 /nfs/dbraw/zinc/31/35/09/168313509.db2.gz VNPAIFHBYBFVRG-UHFFFAOYSA-N 0 0 181.264 1.269 10 0 ADAERN CSc1nc(N)nc2c1CCCC2 75598368 168313518 /nfs/dbraw/zinc/31/35/18/168313518.db2.gz QOTLEYWCBLKNDC-UHFFFAOYSA-N 0 0 195.291 1.660 10 0 ADAERN CSc1nc2ccccc2c(=O)o1 27524304 168313535 /nfs/dbraw/zinc/31/35/35/168313535.db2.gz KFSXSHARFWOYTD-UHFFFAOYSA-N 0 0 193.227 1.910 10 0 ADAERN CSc1[nH]nc2c1CCN2 39133784 168313544 /nfs/dbraw/zinc/31/35/44/168313544.db2.gz DLGUVTYPNDCCAW-UHFFFAOYSA-N 0 0 155.226 1.100 10 0 ADAERN CSc1cnc2[nH]c(C=O)cc2n1 82388260 168313596 /nfs/dbraw/zinc/31/35/96/168313596.db2.gz LPYJUCUBXNIHFL-UHFFFAOYSA-N 0 0 193.231 1.492 10 0 ADAERN CSc1nc(=O)[nH]c2c1CCCC2 4317088 168313722 /nfs/dbraw/zinc/31/37/22/168313722.db2.gz XJNGUIHJDACJMS-UHFFFAOYSA-N 0 0 196.275 1.371 10 0 ADAERN CSc1nc2cc(N)ccc2[nH]1 42142127 168313748 /nfs/dbraw/zinc/31/37/48/168313748.db2.gz FTUPVZFFTQNCFB-UHFFFAOYSA-N 0 0 179.248 1.867 10 0 ADAERN CSc1nc(C)c(C)c(N)n1 75558020 168313838 /nfs/dbraw/zinc/31/38/38/168313838.db2.gz LVFREXZBEYXMAI-UHFFFAOYSA-N 0 0 169.253 1.398 10 0 ADAERN CSc1nc(F)ns1 39088417 168313878 /nfs/dbraw/zinc/31/38/78/168313878.db2.gz HHYHWQSLZRXNCZ-UHFFFAOYSA-N 0 0 150.203 1.399 10 0 ADAERN CSc1nc(C)c(C)nc1N 39113686 168313906 /nfs/dbraw/zinc/31/39/06/168313906.db2.gz RYLXDDFGYUPUIO-UHFFFAOYSA-N 0 0 169.253 1.398 10 0 ADAERN CSc1n[nH]c(-c2ccco2)n1 115211 168313920 /nfs/dbraw/zinc/31/39/20/168313920.db2.gz DFCLHPKPQFLWCA-UHFFFAOYSA-N 0 0 181.220 1.787 10 0 ADAERN CSc1nc(N)nc2c1CCC2 1641361 168313941 /nfs/dbraw/zinc/31/39/41/168313941.db2.gz YWXDGCYBIRRFFW-UHFFFAOYSA-N 0 0 181.264 1.269 10 0 ADAERN CSc1nc(N)cs1 72192312 168314020 /nfs/dbraw/zinc/31/40/20/168314020.db2.gz SIDCITRFXYPIBQ-UHFFFAOYSA-N 0 0 146.240 1.447 10 0 ADAERN CSc1nc(C)c(N)c(N(C)C)n1 25492033 168314043 /nfs/dbraw/zinc/31/40/43/168314043.db2.gz WXBNRXKEVVPOKX-UHFFFAOYSA-N 0 0 198.295 1.155 10 0 ADAERN CSc1nc(C=O)cs1 39063433 168314059 /nfs/dbraw/zinc/31/40/59/168314059.db2.gz XPCKVGWEZZSIMC-UHFFFAOYSA-N 0 0 159.235 1.678 10 0 ADAERN CSc1nc(C)n2nccc2n1 26503694 168314219 /nfs/dbraw/zinc/31/42/19/168314219.db2.gz JRNYBBVOWLHLSE-UHFFFAOYSA-N 0 0 180.236 1.155 10 0 ADAERN CSc1nnc(C[C@@H]2CCCO2)[nH]1 73739700 168314233 /nfs/dbraw/zinc/31/42/33/168314233.db2.gz JVFKNVVEQIJOSB-LURJTMIESA-N 0 0 199.279 1.248 10 0 ADAERN CSc1cncnc1 39053620 168314358 /nfs/dbraw/zinc/31/43/58/168314358.db2.gz IBMKUYMVNFUNOW-UHFFFAOYSA-N 0 0 126.184 1.199 10 0 ADAERN CSc1nc(C)cc(C=O)n1 76596535 168314365 /nfs/dbraw/zinc/31/43/65/168314365.db2.gz SAPAQSVPTJTDGA-UHFFFAOYSA-N 0 0 168.221 1.319 10 0 ADAERN CSc1nc(N)c2cccnc2n1 19770037 168314479 /nfs/dbraw/zinc/31/44/79/168314479.db2.gz XKOXNJMEDNGVNZ-UHFFFAOYSA-N 0 0 192.247 1.329 10 0 ADAERN CSc1nc(N)nn1C(C)C 39648861 168314493 /nfs/dbraw/zinc/31/44/93/168314493.db2.gz BWYMSZLBOGKIHQ-UHFFFAOYSA-N 0 0 172.257 1.163 10 0 ADAERN CSc1nc(C)cnc1C 15120127 168314653 /nfs/dbraw/zinc/31/46/53/168314653.db2.gz VXFGCYJQMUSZGI-UHFFFAOYSA-N 0 0 154.238 1.815 10 0 ADAERN CSc1nc(C)nc2[nH]cnc12 32221370 168314672 /nfs/dbraw/zinc/31/46/72/168314672.db2.gz BXIODMKZAUYUKD-UHFFFAOYSA-N 0 0 180.236 1.383 10 0 ADAERN CSc1nc(Cl)cc(C=O)n1 95642171 168314780 /nfs/dbraw/zinc/31/47/80/168314780.db2.gz MTNZXXKXZXJUPY-UHFFFAOYSA-N 0 0 188.639 1.664 10 0 ADAERN CSc1nc(C)c(O)c(C)n1 75559908 168314873 /nfs/dbraw/zinc/31/48/73/168314873.db2.gz ZDJVSHBNPRARSX-UHFFFAOYSA-N 0 0 170.237 1.521 10 0 ADAERN CSc1nc2c(N)cccc2[nH]1 89195071 168314877 /nfs/dbraw/zinc/31/48/77/168314877.db2.gz LYNDRMCZOPGHTD-UHFFFAOYSA-N 0 0 179.248 1.867 10 0 ADAERN CSc1nc(C(C)=O)cn1C 39072667 168314974 /nfs/dbraw/zinc/31/49/74/168314974.db2.gz LMEDMTRLFWWABG-UHFFFAOYSA-N 0 0 170.237 1.345 10 0 ADAERN CSc1cncc(N)c1OC1CC1 95733316 168314992 /nfs/dbraw/zinc/31/49/92/168314992.db2.gz GMZYYGDFFUOICF-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1nc(C=O)c2cnccn12 82388254 168314998 /nfs/dbraw/zinc/31/49/98/168314998.db2.gz OVWVZSCTTSHDDY-UHFFFAOYSA-N 0 0 193.231 1.264 10 0 ADAERN CSc1coc(C=O)c1 39061030 168315073 /nfs/dbraw/zinc/31/50/73/168315073.db2.gz SACDCHFMOVFYKT-UHFFFAOYSA-N 0 0 142.179 1.814 10 0 ADAERN CSc1nc(N)c2c(n1)CCCC2 39273700 168315078 /nfs/dbraw/zinc/31/50/78/168315078.db2.gz PUDKWSNXLKDKBT-UHFFFAOYSA-N 0 0 195.291 1.660 10 0 ADAERN CSc1nc2ccc(N)cc2n1C 58826473 168315085 /nfs/dbraw/zinc/31/50/85/168315085.db2.gz HUVQAXZBZISEOG-UHFFFAOYSA-N 0 0 193.275 1.877 10 0 ADAERN CSc1nc2c(s1)CNC2 82399876 168315131 /nfs/dbraw/zinc/31/51/31/168315131.db2.gz MWDSAGVXTIPANQ-UHFFFAOYSA-N 0 0 172.278 1.468 10 0 ADAERN CSc1nc(C)c2ncn(C)c2n1 6069207 168315154 /nfs/dbraw/zinc/31/51/54/168315154.db2.gz IPTARUUTZWATJU-UHFFFAOYSA-N 0 0 194.263 1.394 10 0 ADAERN CSc1nc(N)c2ccsc2n1 55460035 168315165 /nfs/dbraw/zinc/31/51/65/168315165.db2.gz WAWBMSKFZIYOSU-UHFFFAOYSA-N 0 0 197.288 1.995 10 0 ADAERN CSc1nc(N)nc(C)c1Cl 75579471 168315187 /nfs/dbraw/zinc/31/51/87/168315187.db2.gz VPYGBDDTGXDWJX-UHFFFAOYSA-N 0 0 189.671 1.743 10 0 ADAERN CSc1nc(NC(C)=O)ns1 45820094 168315199 /nfs/dbraw/zinc/31/51/99/168315199.db2.gz VAHLXZQSFONUID-UHFFFAOYSA-N 0 0 189.265 1.218 10 0 ADAERN CSc1nc(N)nc(CC(C)C)n1 72417654 168315230 /nfs/dbraw/zinc/31/52/30/168315230.db2.gz QPQFRTBYNAJDTE-UHFFFAOYSA-N 0 0 198.295 1.374 10 0 ADAERN CSc1nnc(C[C@H]2CCCO2)[nH]1 73739704 168315235 /nfs/dbraw/zinc/31/52/35/168315235.db2.gz JVFKNVVEQIJOSB-ZCFIWIBFSA-N 0 0 199.279 1.248 10 0 ADAERN CSc1cn2c(n1)CCC2 33902266 168315256 /nfs/dbraw/zinc/31/52/56/168315256.db2.gz IAJNOLWBMLKERM-UHFFFAOYSA-N 0 0 154.238 1.551 10 0 ADAERN CSc1cnnc(Cl)n1 51040238 168315263 /nfs/dbraw/zinc/31/52/63/168315263.db2.gz IXUSUOQYVFOBHA-UHFFFAOYSA-N 0 0 161.617 1.247 10 0 ADAERN CSc1nc(N)ccc1OC1CC1 95733446 168315270 /nfs/dbraw/zinc/31/52/70/168315270.db2.gz FRTOYQMICBTQRY-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1cnc(N)c(OC2CC2)c1 95732395 168315297 /nfs/dbraw/zinc/31/52/97/168315297.db2.gz USLUGGWPABPNCH-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1nc2[nH]ccc(=O)c2s1 39117301 168315376 /nfs/dbraw/zinc/31/53/76/168315376.db2.gz NGGUIXPRVVWSFP-UHFFFAOYSA-N 0 0 198.272 1.707 10 0 ADAERN CSc1nc2cc(N)ccc2n1C 45238321 168315430 /nfs/dbraw/zinc/31/54/30/168315430.db2.gz IRLIWCAQQGKDKE-UHFFFAOYSA-N 0 0 193.275 1.877 10 0 ADAERN CSc1cncc(N2CCCC2)n1 307058561 168315439 /nfs/dbraw/zinc/31/54/39/168315439.db2.gz BOAMVHFZIGRVJD-UHFFFAOYSA-N 0 0 195.291 1.799 10 0 ADAERN CSc1cnccc1C=O 39062349 168315441 /nfs/dbraw/zinc/31/54/41/168315441.db2.gz KVLPYMODJPSDEY-UHFFFAOYSA-N 0 0 153.206 1.616 10 0 ADAERN CSc1nccc(OC2CC2)c1N 95733745 168315593 /nfs/dbraw/zinc/31/55/93/168315593.db2.gz RJFASDGTLPDBMX-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1ncccc1OCCO 39090245 168315602 /nfs/dbraw/zinc/31/56/02/168315602.db2.gz ULKYDHZGNYSUNH-UHFFFAOYSA-N 0 0 185.248 1.175 10 0 ADAERN CSc1nc2cnc(N)nc2s1 32234152 168315629 /nfs/dbraw/zinc/31/56/29/168315629.db2.gz AUXBHVTXXUIPHQ-UHFFFAOYSA-N 0 0 198.276 1.390 10 0 ADAERN CSc1ncnc2ccncc12 39147913 168315696 /nfs/dbraw/zinc/31/56/96/168315696.db2.gz ULGBAIOVFRNITO-UHFFFAOYSA-N 0 0 177.232 1.747 10 0 ADAERN CSc1ncn(C(C)C)n1 39103516 168315708 /nfs/dbraw/zinc/31/57/08/168315708.db2.gz DNAMNPGRMXQTRR-UHFFFAOYSA-N 0 0 157.242 1.581 10 0 ADAERN CSc1nnc(C(=O)C(C)C)n1C 75854698 168315738 /nfs/dbraw/zinc/31/57/38/168315738.db2.gz BQWSDWZRPVHELK-UHFFFAOYSA-N 0 0 199.279 1.376 10 0 ADAERN CSc1nc2c[nH]sc-2n1 27880495 168315750 /nfs/dbraw/zinc/31/57/50/168315750.db2.gz IWQNMTLKROQJQO-UHFFFAOYSA-N 0 0 171.250 1.741 10 0 ADAERN CSc1nc2ncnc(N)c2s1 32234090 168315762 /nfs/dbraw/zinc/31/57/62/168315762.db2.gz RRACTFDOWHYOJC-UHFFFAOYSA-N 0 0 198.276 1.390 10 0 ADAERN CSc1ncc(OC2CC2)cc1N 95733631 168315766 /nfs/dbraw/zinc/31/57/66/168315766.db2.gz VPMNITCSVORXAG-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1ncc(N)cc1OC1CC1 95733527 168315803 /nfs/dbraw/zinc/31/58/03/168315803.db2.gz HLDWJTDYPKVHJH-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1ncc(C)c(C=O)n1 82401994 168315807 /nfs/dbraw/zinc/31/58/07/168315807.db2.gz WJLWRHBAXNBTFY-UHFFFAOYSA-N 0 0 168.221 1.319 10 0 ADAERN CSc1ncnc2ncccc12 143412134 168315809 /nfs/dbraw/zinc/31/58/09/168315809.db2.gz JTGYEVFEFAKQHV-UHFFFAOYSA-N 0 0 177.232 1.747 10 0 ADAERN CSc1ncc(Cl)c(NN)n1 34426486 168315851 /nfs/dbraw/zinc/31/58/51/168315851.db2.gz VLCPQJBTYLSJFR-UHFFFAOYSA-N 0 0 190.659 1.138 10 0 ADAERN CSc1ncnc(NC(C)(C)C)n1 39365858 168315989 /nfs/dbraw/zinc/31/59/89/168315989.db2.gz IZIIEFRMCHRVKX-UHFFFAOYSA-N 0 0 198.295 1.804 10 0 ADAERN CSc1nnc(-c2cnccn2)o1 44549508 168315995 /nfs/dbraw/zinc/31/59/95/168315995.db2.gz IDAOSXHOBOAYAS-UHFFFAOYSA-N 0 0 194.219 1.249 10 0 ADAERN CSc1ncc2cnccn12 13281714 168315997 /nfs/dbraw/zinc/31/59/97/168315997.db2.gz MKBNHSPXMDBZKC-UHFFFAOYSA-N 0 0 165.221 1.451 10 0 ADAERN CSc1ncc([C@@H](C)O)cn1 197209985 168316007 /nfs/dbraw/zinc/31/60/07/168316007.db2.gz PNLROFHCCBKONY-RXMQYKEDSA-N 0 0 170.237 1.252 10 0 ADAERN CSc1ncc([C@H](C)O)cn1 197209971 168316043 /nfs/dbraw/zinc/31/60/43/168316043.db2.gz PNLROFHCCBKONY-YFKPBYRVSA-N 0 0 170.237 1.252 10 0 ADAERN CSc1ncc2c(N)snc2n1 75600765 168316062 /nfs/dbraw/zinc/31/60/62/168316062.db2.gz WNVJBDNRJWMXPY-UHFFFAOYSA-N 0 0 198.276 1.390 10 0 ADAERN CSc1ncnc2nccnc12 1694917 168316064 /nfs/dbraw/zinc/31/60/64/168316064.db2.gz XKENOTHGZDIXRS-UHFFFAOYSA-N 0 0 178.220 1.142 10 0 ADAERN CSc1ncc(O/C=C\CO)cn1 34859528 168316076 /nfs/dbraw/zinc/31/60/76/168316076.db2.gz ZKXLIWSVHHBAJD-RQOWECAXSA-N 0 0 198.247 1.083 10 0 ADAERN CSc1nccc(CC(C)=O)n1 82875192 168316078 /nfs/dbraw/zinc/31/60/78/168316078.db2.gz CMJDULLFRGIKDO-UHFFFAOYSA-N 0 0 182.248 1.330 10 0 ADAERN CSc1nc2nccnc2s1 95080139 168316079 /nfs/dbraw/zinc/31/60/79/168316079.db2.gz SGDRKUVVOXDJSZ-UHFFFAOYSA-N 0 0 183.261 1.808 10 0 ADAERN CSc1ncnc2cc(C=O)oc12 82387467 168316106 /nfs/dbraw/zinc/31/61/06/168316106.db2.gz WQJOTOLDQWUXCY-UHFFFAOYSA-N 0 0 194.215 1.757 10 0 ADAERN CSc1nccnc1C=O 39254528 168316194 /nfs/dbraw/zinc/31/61/94/168316194.db2.gz MIKDDFRSQWGCBD-UHFFFAOYSA-N 0 0 154.194 1.011 10 0 ADAERN CSc1nc[nH]c(=S)c1N 75563763 168316196 /nfs/dbraw/zinc/31/61/96/168316196.db2.gz WTMOEEDTMAPGFK-UHFFFAOYSA-N 0 0 173.266 1.443 10 0 ADAERN CSc1nnc(C(C)=O)n1C1CC1 75844488 168316214 /nfs/dbraw/zinc/31/62/14/168316214.db2.gz UGKNQFOVQVYEID-UHFFFAOYSA-N 0 0 197.263 1.538 10 0 ADAERN CSc1ncnc2c1CCN2 1631731 168316240 /nfs/dbraw/zinc/31/62/40/168316240.db2.gz MUGTZPLDFSFWLD-UHFFFAOYSA-N 0 0 167.237 1.167 10 0 ADAERN CSc1ncnc2c1ncn2C 1670617 168316255 /nfs/dbraw/zinc/31/62/55/168316255.db2.gz WSHSHJGZEQTGJO-UHFFFAOYSA-N 0 0 180.236 1.085 10 0 ADAERN CSc1nccc(=S)n1C 39124616 168316265 /nfs/dbraw/zinc/31/62/65/168316265.db2.gz ZOMVUQWDDLHEHH-UHFFFAOYSA-N 0 0 172.278 1.871 10 0 ADAERN CSc1ncnc2cc(N)ncc12 38866163 168316297 /nfs/dbraw/zinc/31/62/97/168316297.db2.gz JHZDQHOTYTUIII-UHFFFAOYSA-N 0 0 192.247 1.329 10 0 ADAERN CSc1ncnc2cc(N)ccc12 39294750 168316310 /nfs/dbraw/zinc/31/63/10/168316310.db2.gz QNWBNKPOSYPFCN-UHFFFAOYSA-N 0 0 191.259 1.934 10 0 ADAERN CSc1ncc2c(n1)CC[C@@H](O)C2 43464345 168316313 /nfs/dbraw/zinc/31/63/13/168316313.db2.gz ZZIKRSBOTRZBSC-SSDOTTSWSA-N 0 0 196.275 1.048 10 0 ADAERN CSc1nccc(N)c1OC1CC1 95733704 168316354 /nfs/dbraw/zinc/31/63/54/168316354.db2.gz QGPAOFFMCPMDLR-UHFFFAOYSA-N 0 0 196.275 1.927 10 0 ADAERN CSc1nc2cccnc2n1C 530463 168316470 /nfs/dbraw/zinc/31/64/70/168316470.db2.gz BUBXIADFVGYLTB-UHFFFAOYSA-N 0 0 179.248 1.690 10 0 ADAERN CSc1ncccc1C=O 6019829 168316513 /nfs/dbraw/zinc/31/65/13/168316513.db2.gz RJYDOQHVQNRLFR-UHFFFAOYSA-N 0 0 153.206 1.616 10 0 ADAERN CSc1nccc(F)n1 38433754 168316519 /nfs/dbraw/zinc/31/65/19/168316519.db2.gz PTOVZQHGXMAESP-UHFFFAOYSA-N 0 0 144.174 1.338 10 0 ADAERN CSc1nc2ccncc2n1C 196530730 168316539 /nfs/dbraw/zinc/31/65/39/168316539.db2.gz FPESFSSXBUOKMT-UHFFFAOYSA-N 0 0 179.248 1.690 10 0 ADAERN CSc1ncnc2c[nH]nc12 89211844 168316670 /nfs/dbraw/zinc/31/66/70/168316670.db2.gz LUHFZMDDYJVDCE-UHFFFAOYSA-N 0 0 166.209 1.075 10 0 ADAERN CSc1ncc2cc(CO)oc2n1 90557045 168316779 /nfs/dbraw/zinc/31/67/79/168316779.db2.gz YQWTTWCXHFKMQT-UHFFFAOYSA-N 0 0 196.231 1.437 10 0 ADAERN CSc1ncnc(Cl)c1C=O 15444562 168316814 /nfs/dbraw/zinc/31/68/14/168316814.db2.gz DLRBIMKQRBPPTP-UHFFFAOYSA-N 0 0 188.639 1.664 10 0 ADAERN CSc1ncnc(Cl)c1N 39212649 168316836 /nfs/dbraw/zinc/31/68/36/168316836.db2.gz SDJUBWSZXNTEPL-UHFFFAOYSA-N 0 0 175.644 1.434 10 0 ADAERN CSc1ncc2c(n1)CCC(=O)C2 43464325 168316845 /nfs/dbraw/zinc/31/68/45/168316845.db2.gz BCIURQGJDKHCNR-UHFFFAOYSA-N 0 0 194.259 1.256 10 0 ADAERN CSc1ncc2c(n1)CC[C@H](O)C2 43464343 168316858 /nfs/dbraw/zinc/31/68/58/168316858.db2.gz ZZIKRSBOTRZBSC-ZETCQYMHSA-N 0 0 196.275 1.048 10 0 ADAERN CSc1nccc(C)c1N 70063281 168316860 /nfs/dbraw/zinc/31/68/60/168316860.db2.gz YLPPLUCVDDWFIN-UHFFFAOYSA-N 0 0 154.238 1.694 10 0 ADAERN CSc1ncc2cc[nH]c2n1 89223984 168316865 /nfs/dbraw/zinc/31/68/65/168316865.db2.gz PUTHUQBIOMLVJL-UHFFFAOYSA-N 0 0 165.221 1.680 10 0 ADAERN CSc1nccc2nc[nH]c12 29221321 168316885 /nfs/dbraw/zinc/31/68/85/168316885.db2.gz YIFCXTSVXSEGQE-UHFFFAOYSA-N 0 0 165.221 1.680 10 0 ADAERN CSc1nccc2ncoc12 89211699 168316921 /nfs/dbraw/zinc/31/69/21/168316921.db2.gz LLBBPSHVACYBCH-UHFFFAOYSA-N 0 0 166.205 1.945 10 0 ADAERN CSc1ncc([C@@H](C)O)c(F)n1 38811860 168316925 /nfs/dbraw/zinc/31/69/25/168316925.db2.gz HYNJWBHVSUTMGS-SCSAIBSYSA-N 0 0 188.227 1.391 10 0 ADAERN CSc1ncc(N)cc1C 52813828 168316941 /nfs/dbraw/zinc/31/69/41/168316941.db2.gz JCXBWISGPRZELZ-UHFFFAOYSA-N 0 0 154.238 1.694 10 0 ADAERN CSc1ncncc1F 78410759 168316970 /nfs/dbraw/zinc/31/69/70/168316970.db2.gz OZZGHAUGFZFGIZ-UHFFFAOYSA-N 0 0 144.174 1.338 10 0 ADAERN CSc1ncc([C@H](C)O)c(F)n1 38811859 168317026 /nfs/dbraw/zinc/31/70/26/168317026.db2.gz HYNJWBHVSUTMGS-BYPYZUCNSA-N 0 0 188.227 1.391 10 0 ADAERN CSc1nccc(-c2cc[nH]n2)n1 32914859 168317051 /nfs/dbraw/zinc/31/70/51/168317051.db2.gz WGQFHVZWHPKPJM-UHFFFAOYSA-N 0 0 192.247 1.589 10 0 ADAERN CSc1nncc2cnc(C)n12 29462538 168317190 /nfs/dbraw/zinc/31/71/90/168317190.db2.gz PEECHTAYEKGXSY-UHFFFAOYSA-N 0 0 180.236 1.155 10 0 ADAERN CSc1nnc(C=O)s1 39140437 168317321 /nfs/dbraw/zinc/31/73/21/168317321.db2.gz ODZQKBWRGNQQJX-UHFFFAOYSA-N 0 0 160.223 1.073 10 0 ADAERN C[C@@H](/C=C/CO)O[C@@H]1CCCCO1 113190636 168317506 /nfs/dbraw/zinc/31/75/06/168317506.db2.gz VEXIBJGBKMLQJI-OCIBVNFRSA-N 0 0 186.251 1.467 10 0 ADAERN CSc1nnc(C)n1C1CC1 75838701 168317567 /nfs/dbraw/zinc/31/75/67/168317567.db2.gz JZKWUQOTPBOVER-UHFFFAOYSA-N 0 0 169.253 1.643 10 0 ADAERN Cc1ccncc1[C@H]1OCC[C@@H]1CO 135567495 343965459 /nfs/dbraw/zinc/96/54/59/343965459.db2.gz HKRSGCLUTQNZTK-KOLCDFICSA-N 0 0 193.246 1.460 10 0 ADAERN CSc1[n-][nH+]cc2nc(C)nc1-2 1652375 168317715 /nfs/dbraw/zinc/31/77/15/168317715.db2.gz DFXZMPHVVAMEEI-UHFFFAOYSA-N 0 0 180.236 1.383 10 0 ADAERN CSc1nnc2c(C)ncc(C)n12 32232881 168317770 /nfs/dbraw/zinc/31/77/70/168317770.db2.gz DHZGGRHMTNRIBB-UHFFFAOYSA-N 0 0 194.263 1.463 10 0 ADAERN CC1=CN(C)S[C@H]1C 90504812 168317778 /nfs/dbraw/zinc/31/77/78/168317778.db2.gz NPDPMHCJWNUXGZ-LURJTMIESA-N 0 0 129.228 1.344 10 0 ADAERN CSc1snnc1C=O 39060565 168317805 /nfs/dbraw/zinc/31/78/05/168317805.db2.gz PPRSXWHYTIYWCA-UHFFFAOYSA-N 0 0 160.223 1.073 10 0 ADAERN CSc1snc2c1CCNC2 82391982 168317812 /nfs/dbraw/zinc/31/78/12/168317812.db2.gz ADHCRHWKRCKNPT-UHFFFAOYSA-N 0 0 186.305 1.511 10 0 ADAERN CSc1nsnc1Cl 38063780 168317823 /nfs/dbraw/zinc/31/78/23/168317823.db2.gz CTJQKKOFVYBBPS-UHFFFAOYSA-N 0 0 166.658 1.913 10 0 ADAERN CSc1nnc(F)s1 39088416 168317896 /nfs/dbraw/zinc/31/78/96/168317896.db2.gz DUZVDWUGHDULQM-UHFFFAOYSA-N 0 0 150.203 1.399 10 0 ADAERN C[C@@H](/C=C/c1ccoc1)N(O)C(N)=O 13762963 168317902 /nfs/dbraw/zinc/31/79/02/168317902.db2.gz QMLMIGBLKKLTJR-AIYRYJHASA-N 0 0 196.206 1.451 10 0 ADAERN CSc1nncc2c(C)ncn12 29416026 168317953 /nfs/dbraw/zinc/31/79/53/168317953.db2.gz AWKAUUNKIBXHKC-UHFFFAOYSA-N 0 0 180.236 1.155 10 0 ADAERN C[C@@H](/C=C/C(N)=O)c1ccccc1 44258607 168318245 /nfs/dbraw/zinc/31/82/45/168318245.db2.gz ZMFCPNRCUXDONJ-FLOXNTQESA-N 0 0 175.231 1.832 10 0 ADAERN C[C@@H](/C=C/CO)O[C@H]1CCCCO1 113190639 168318279 /nfs/dbraw/zinc/31/82/79/168318279.db2.gz VEXIBJGBKMLQJI-AWAZDUCLSA-N 0 0 186.251 1.467 10 0 ADAERN CSc1[n-][nH+]cc2ncnc1-2 1652364 168318302 /nfs/dbraw/zinc/31/83/02/168318302.db2.gz 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175.282 1.259 10 0 ADAERN CSc1noc(C)c1C(C)=O 39069424 168318693 /nfs/dbraw/zinc/31/86/93/168318693.db2.gz NXMILFQAXGQWJK-UHFFFAOYSA-N 0 0 171.221 1.908 10 0 ADAERN Cc1ccncc1[C@@H]1C[C@H]1CO 135570106 343965462 /nfs/dbraw/zinc/96/54/62/343965462.db2.gz JXTYWYAUYCDUBI-DTWKUNHWSA-N 0 0 163.220 1.486 10 0 ADAERN CNc1ccnc([C@@H]2CC[C@@H](C)O2)n1 135572860 343965464 /nfs/dbraw/zinc/96/54/64/343965464.db2.gz KCJOFTDJJUMFAS-SFYZADRCSA-N 0 0 193.250 1.758 10 0 ADAERN Cc1ccncc1[C@@H]1OCC[C@H]1CO 135567478 343965467 /nfs/dbraw/zinc/96/54/67/343965467.db2.gz HKRSGCLUTQNZTK-GXSJLCMTSA-N 0 0 193.246 1.460 10 0 ADAERN C[C@@H](C(=O)N1CCC1)C(C)(F)F 306462986 168324711 /nfs/dbraw/zinc/32/47/11/168324711.db2.gz HJGYJYJVRUNCKD-LURJTMIESA-N 0 0 177.194 1.510 10 0 ADAERN C[C@@H](C(=O)N(C)[C@@H]1CCOC1)C1CC1 334492723 168324816 /nfs/dbraw/zinc/32/48/16/168324816.db2.gz OZCBJVIVSVABQE-PSASIEDQSA-N 0 0 197.278 1.280 10 0 ADAERN C[C@@H](C(N)=O)N1CCO[C@@H](C2CC2)C1 335890795 168324860 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/nfs/dbraw/zinc/32/58/84/168325884.db2.gz GYNQWSFLAYJEQO-LURJTMIESA-N 0 0 199.279 1.195 10 0 ADAERN C[C@@H](C(=O)N1CC(F)C1)C(F)(F)F 306287301 168325887 /nfs/dbraw/zinc/32/58/87/168325887.db2.gz FOBVRJWNYGEXOZ-BYPYZUCNSA-N 0 0 199.147 1.365 10 0 ADAERN C[C@@H](C(=O)NC1CC1)C1CCOCC1 334396340 168325978 /nfs/dbraw/zinc/32/59/78/168325978.db2.gz KLGZIQXSIGNGAJ-MRVPVSSYSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H](C(N)=O)N1CCOCC2(CC2)C1 335491817 168326111 /nfs/dbraw/zinc/32/61/11/168326111.db2.gz NECIDTSELZTGNV-QMMMGPOBSA-N 0 0 198.266 1.023 10 0 ADAERN C[C@@H](C(=O)N1CCC1)c1cccnc1 336050241 168326227 /nfs/dbraw/zinc/32/62/27/168326227.db2.gz SFIVFCVORQJWJR-SECBINFHSA-N 0 0 190.246 1.417 10 0 ADAERN C[C@@H](C(=O)N[C@@H]1CC12CC2)C1CC1 335493595 168326339 /nfs/dbraw/zinc/32/63/39/168326339.db2.gz AJSJDRBEQQFQET-VXNVDRBHSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@@H](C(N)=O)N1CCO[C@H](C2CC2)C1 335890794 168326432 /nfs/dbraw/zinc/32/64/32/168326432.db2.gz NAWDNZAQAQMUJW-CBAPKCEASA-N 0 0 198.266 1.021 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/nfs/dbraw/zinc/32/69/42/168326942.db2.gz DLAQTLCHCGTYPB-BDAKNGLRSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])c1cccs1 44196315 168327077 /nfs/dbraw/zinc/32/70/77/168327077.db2.gz JAGKBUGHTNBALR-IYSWYEEDSA-N 0 0 185.248 1.469 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H](C)C(C)(C)C 42770991 168327207 /nfs/dbraw/zinc/32/72/07/168327207.db2.gz QAGNHCCBTHMHTC-YUMQZZPRSA-N 0 0 187.283 1.826 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])C1CCCCC1 44196365 168327265 /nfs/dbraw/zinc/32/72/65/168327265.db2.gz RKMKBWNSAHLZLE-APPZFPTMSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H](C(=O)[O-])C1CC[NH+](C)CC1 33487590 168327277 /nfs/dbraw/zinc/32/72/77/168327277.db2.gz ICCSVUNAPBXYLC-SSDOTTSWSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCC[C@@H](C)C1 42318181 168327320 /nfs/dbraw/zinc/32/73/20/168327320.db2.gz DPXYWRUOJMKAAS-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]1CCCCC[NH2+]1 82400451 168327343 /nfs/dbraw/zinc/32/73/43/168327343.db2.gz APSXULOONSSCEU-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]1CCC[N@H+](C)CC1 82878453 168327391 /nfs/dbraw/zinc/32/73/91/168327391.db2.gz DLAQTLCHCGTYPB-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccc(O)cc1 44396318 168327399 /nfs/dbraw/zinc/32/73/99/168327399.db2.gz GQCOWMCRRVGKGS-MUWHJKNJSA-N 0 0 195.218 1.113 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])c1ccccc1F 57937667 168327402 /nfs/dbraw/zinc/32/74/02/168327402.db2.gz MJAKNMQWVLSZKA-HZGVNTEJSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])c1cccc(F)c1 57937703 168327416 /nfs/dbraw/zinc/32/74/16/168327416.db2.gz YHYTXAJQAAYZAT-MUWHJKNJSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]1CCCC[N@@H+]1C 82400460 168327462 /nfs/dbraw/zinc/32/74/62/168327462.db2.gz SZNFEECTSWIONR-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]1CCC[N@H+](C)C1 82400531 168327549 /nfs/dbraw/zinc/32/75/49/168327549.db2.gz SVIGSQBPAOUJQG-SFYZADRCSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])c1ccc(O)cc1 44396320 168327700 /nfs/dbraw/zinc/32/77/00/168327700.db2.gz GQCOWMCRRVGKGS-HZGVNTEJSA-N 0 0 195.218 1.113 10 0 ADAERN C[C@@H](C(=O)[O-])C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 62568002 168327801 /nfs/dbraw/zinc/32/78/01/168327801.db2.gz NZMLNIPMFBYOAN-GQDPBHBBSA-N 0 0 197.278 1.580 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccco1 57935636 168327816 /nfs/dbraw/zinc/32/78/16/168327816.db2.gz ZGYFWWUATFWCSN-VDTYLAMSSA-N 0 0 169.180 1.000 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])c1cccs1 44196308 168327831 /nfs/dbraw/zinc/32/78/31/168327831.db2.gz JAGKBUGHTNBALR-VDTYLAMSSA-N 0 0 185.248 1.469 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)C1CCCC1 37092949 168327840 /nfs/dbraw/zinc/32/78/40/168327840.db2.gz IUYZJPXOXGRNNE-ZETCQYMHSA-N 0 0 171.240 1.334 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+](C)[C@@H](C)C1CC1 36785897 168327932 /nfs/dbraw/zinc/32/79/32/168327932.db2.gz OWBNEEIBRISLJE-BQBZGAKWSA-N 0 0 171.240 1.190 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccc(F)cc1 57937682 168327994 /nfs/dbraw/zinc/32/79/94/168327994.db2.gz DHINGAZIJYFDFS-MUWHJKNJSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])c1ccco1 57935641 168328055 /nfs/dbraw/zinc/32/80/55/168328055.db2.gz ZGYFWWUATFWCSN-IYSWYEEDSA-N 0 0 169.180 1.000 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]1CCC[N@H+](C)C1 82400529 168328311 /nfs/dbraw/zinc/32/83/11/168328311.db2.gz SVIGSQBPAOUJQG-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]([NH3+])c1ccccc1F 57937664 168328391 /nfs/dbraw/zinc/32/83/91/168328391.db2.gz MJAKNMQWVLSZKA-MUWHJKNJSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])c1cccc(F)c1 57937708 168328393 /nfs/dbraw/zinc/32/83/93/168328393.db2.gz YHYTXAJQAAYZAT-HZGVNTEJSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H](C)C1CC1 36785898 168328406 /nfs/dbraw/zinc/32/84/06/168328406.db2.gz OWBNEEIBRISLJE-RQJHMYQMSA-N 0 0 171.240 1.190 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])C1CCCCC1 44196372 168328517 /nfs/dbraw/zinc/32/85/17/168328517.db2.gz RKMKBWNSAHLZLE-VXNVDRBHSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]([NH3+])c1ccc(F)cc1 57937685 168328583 /nfs/dbraw/zinc/32/85/83/168328583.db2.gz DHINGAZIJYFDFS-HZGVNTEJSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@@H](C(=O)c1ccc(N)cc1)N(C)C 34103057 168328755 /nfs/dbraw/zinc/32/87/55/168328755.db2.gz LHLUDJIEHGMFGM-QMMMGPOBSA-N 0 0 192.262 1.402 10 0 ADAERN C[C@@H](C(=O)c1ccc(F)cc1)N(C)C 37333545 168328973 /nfs/dbraw/zinc/32/89/73/168328973.db2.gz LKZITASMICNSHS-QMMMGPOBSA-N 0 0 195.237 1.959 10 0 ADAERN C[C@@H](C(=O)c1ccccc1)[S@](C)=O 33505876 168329111 /nfs/dbraw/zinc/32/91/11/168329111.db2.gz QWWMSEDTVFDZDR-ISVAXAHUSA-N 0 0 196.271 1.636 10 0 ADAERN C[C@@H](C(N)=O)n1cnc2ccccc21 37387278 168329161 /nfs/dbraw/zinc/32/91/61/168329161.db2.gz GVDZRTFFLONXRZ-ZETCQYMHSA-N 0 0 189.218 1.083 10 0 ADAERN C[C@@H](C1CC1)N(C)C(=O)C1=CCC1 308258071 168329680 /nfs/dbraw/zinc/32/96/80/168329680.db2.gz MBRDREZPOPWMPO-QMMMGPOBSA-N 0 0 179.263 1.964 10 0 ADAERN C[C@@H](C(N)=O)n1ccnc1C(C)(C)C 82735058 168330290 /nfs/dbraw/zinc/33/02/90/168330290.db2.gz BDZKEMRQQHYRJJ-ZETCQYMHSA-N 0 0 195.266 1.227 10 0 ADAERN C[C@@H](C(N)=S)n1cc(Cl)cn1 43514847 168330434 /nfs/dbraw/zinc/33/04/34/168330434.db2.gz GDFWOLXSCCWODC-BYPYZUCNSA-N 0 0 189.671 1.384 10 0 ADAERN C[C@@H](C(=O)c1ccccc1)[S@@](C)=O 33505874 168330554 /nfs/dbraw/zinc/33/05/54/168330554.db2.gz QWWMSEDTVFDZDR-SDBXPKJASA-N 0 0 196.271 1.636 10 0 ADAERN C[C@@H](C1CC1)n1nccc1NC(N)=O 335069645 168330823 /nfs/dbraw/zinc/33/08/23/168330823.db2.gz XNECIMHRMWPFKD-LURJTMIESA-N 0 0 194.238 1.345 10 0 ADAERN C[C@@H](C1CC1)N(C)c1ccc(N)nc1 36783287 168330856 /nfs/dbraw/zinc/33/08/56/168330856.db2.gz HRMAEAWWDDGEKK-QMMMGPOBSA-N 0 0 191.278 1.899 10 0 ADAERN C[C@@H](C1CC1)n1cn[nH]c1=S 35733934 168331008 /nfs/dbraw/zinc/33/10/08/168331008.db2.gz VMSKDDLMJFRDRR-YFKPBYRVSA-N 0 0 169.253 1.912 10 0 ADAERN C[C@@H](C1CC1)[N@H+](C)CC(C)(C)C(=O)[O-] 51288117 168331097 /nfs/dbraw/zinc/33/10/97/168331097.db2.gz KUKPTDLHJPJLSU-QMMMGPOBSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](C1CC1)n1cc(C=O)cn1 40931909 168331459 /nfs/dbraw/zinc/33/14/59/168331459.db2.gz IEDMGXYTEOPTHQ-ZETCQYMHSA-N 0 0 164.208 1.667 10 0 ADAERN C[C@@H](C1CC1)n1ccc(N)n1 54404774 168331523 /nfs/dbraw/zinc/33/15/23/168331523.db2.gz AZZOUVOCRCMBAM-LURJTMIESA-N 0 0 151.213 1.436 10 0 ADAERN C[C@@H](C1CC1)N(C)c1ncccc1N 36783269 168331840 /nfs/dbraw/zinc/33/18/40/168331840.db2.gz DPNPLSDBZJPSBQ-QMMMGPOBSA-N 0 0 191.278 1.899 10 0 ADAERN C[C@@H](C1CC1)N(C)c1ccc(N)cn1 36783265 168332101 /nfs/dbraw/zinc/33/21/01/168332101.db2.gz OUJBQTWLFFFZRN-QMMMGPOBSA-N 0 0 191.278 1.899 10 0 ADAERN C[C@@H](C1CC1)[N@H+](C)C/C=C/C(=O)[O-] 51859539 168332127 /nfs/dbraw/zinc/33/21/27/168332127.db2.gz HISJGCUWXFZSMH-RTMURIBGSA-N 0 0 183.251 1.358 10 0 ADAERN C[C@@H](C1CC1)[N@H+](C)C(C)(C)C(=O)[O-] 41878267 168332157 /nfs/dbraw/zinc/33/21/57/168332157.db2.gz XNOUYSXPKLOCSI-ZETCQYMHSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@@H](C1CC1)n1nc(N)cc1N 40932291 168332230 /nfs/dbraw/zinc/33/22/30/168332230.db2.gz AXEOBNBAZHTPOY-YFKPBYRVSA-N 0 0 166.228 1.019 10 0 ADAERN C[C@@H](C1CC1)N(C)c1ncc(N)cn1 40455737 168332255 /nfs/dbraw/zinc/33/22/55/168332255.db2.gz QPCFVVLMYMPJTH-ZETCQYMHSA-N 0 0 192.266 1.294 10 0 ADAERN C[C@@H](C1CC1)N1CCC(=O)C1 35733630 168332644 /nfs/dbraw/zinc/33/26/44/168332644.db2.gz DQISULWWCQPMCT-ZETCQYMHSA-N 0 0 153.225 1.060 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@H+](C)Cc1ccoc1 42448417 168333095 /nfs/dbraw/zinc/33/30/95/168333095.db2.gz OZEGEYDNQHZOSL-QMMMGPOBSA-N 0 0 197.234 1.575 10 0 ADAERN C[C@@H](CC(=O)[O-])C[NH+]1CCCCC1 76580868 168333502 /nfs/dbraw/zinc/33/35/02/168333502.db2.gz ASLVRSJKDNEZCB-VIFPVBQESA-N 0 0 185.267 1.583 10 0 ADAERN C[C@@H](CC(=O)N(C)C)c1cccnc1 334538959 168333682 /nfs/dbraw/zinc/33/36/82/168333682.db2.gz QDVCINGJPDSYIB-VIFPVBQESA-N 0 0 192.262 1.663 10 0 ADAERN C[C@@H](CC(=O)[O-])C[NH+]1CCCCCC1 76582648 168333722 /nfs/dbraw/zinc/33/37/22/168333722.db2.gz KUXCKNYRLULDMV-JTQLQIEISA-N 0 0 199.294 1.973 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@H+](C)C1CCCC1 35752530 168333811 /nfs/dbraw/zinc/33/38/11/168333811.db2.gz JGAUGCQUSQFFHK-QMMMGPOBSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@@H](CC(=O)[O-])C[NH+]1CCCC1 76580090 168334064 /nfs/dbraw/zinc/33/40/64/168334064.db2.gz VNQGGYWVOPOGMB-QMMMGPOBSA-N 0 0 171.240 1.193 10 0 ADAERN C[C@@H](CC(=O)[O-])C1CC[NH+](C)CC1 82878458 168334158 /nfs/dbraw/zinc/33/41/58/168334158.db2.gz DMJRCJQRFRNIOA-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@H+](C)Cc1ccco1 35752720 168334556 /nfs/dbraw/zinc/33/45/56/168334556.db2.gz WBXPYNLJMGSJPM-QMMMGPOBSA-N 0 0 197.234 1.575 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@H+](C)CC(C)(C)C 45083799 168334592 /nfs/dbraw/zinc/33/45/92/168334592.db2.gz KOVHTZFXYUIQBI-QMMMGPOBSA-N 0 0 187.283 1.828 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCC[C@H]1C 37911364 168334815 /nfs/dbraw/zinc/33/48/15/168334815.db2.gz SSFWNDBSWUPJLX-SFYZADRCSA-N 0 0 171.240 1.334 10 0 ADAERN C[C@@H](CC(N)=O)c1ccc(F)cc1 41201548 168334847 /nfs/dbraw/zinc/33/48/47/168334847.db2.gz HJCNJFKANUPALG-ZETCQYMHSA-N 0 0 181.210 1.805 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1CC[C@@H](C)C1 40718721 168334888 /nfs/dbraw/zinc/33/48/88/168334888.db2.gz MHQUGHHGRHGWNM-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H](CC(N)=O)c1cccs1 41168261 168334953 /nfs/dbraw/zinc/33/49/53/168334953.db2.gz SLKRSKSZHOAQJM-LURJTMIESA-N 0 0 169.249 1.727 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+]C(C)(C)C 17409030 168334959 /nfs/dbraw/zinc/33/49/59/168334959.db2.gz SMJLNQYGDXPTJS-LURJTMIESA-N 0 0 159.229 1.238 10 0 ADAERN C[C@@H](CC(=O)[O-])Nc1cc[nH+]cc1 37453182 168334968 /nfs/dbraw/zinc/33/49/68/168334968.db2.gz RYCBJRDRUDYUGH-ZETCQYMHSA-N 0 0 180.207 1.357 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@H](C)c1ccco1 35750575 168335074 /nfs/dbraw/zinc/33/50/74/168335074.db2.gz ZDIROPXABWPPJN-JGVFFNPUSA-N 0 0 197.234 1.793 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H]1CC1(C)C 45119501 168335131 /nfs/dbraw/zinc/33/51/31/168335131.db2.gz MZRWJKBFWZLTHW-NKWVEPMBSA-N 0 0 171.240 1.238 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H](C)[NH+](C)C 82405475 168335270 /nfs/dbraw/zinc/33/52/70/168335270.db2.gz RPZGKTNJYPBKGS-NKWVEPMBSA-N 0 0 159.229 1.047 10 0 ADAERN C[C@@H](CC(C)(C)C)C(=O)N1CC(O)C1 335334130 168335403 /nfs/dbraw/zinc/33/54/03/168335403.db2.gz NECNDJGIZAYQIP-QMMMGPOBSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H](CC(N)=O)Nc1ccccc1 35975713 168335410 /nfs/dbraw/zinc/33/54/10/168335410.db2.gz IJNBFMZSPCADQS-QMMMGPOBSA-N 0 0 178.235 1.362 10 0 ADAERN C[C@@H](CC(N)=S)n1ccnc1 48248899 168335424 /nfs/dbraw/zinc/33/54/24/168335424.db2.gz BDHAAVQIRNPIMB-LURJTMIESA-N 0 0 169.253 1.120 10 0 ADAERN C[C@@H](CC1CC[NH+](C)CC1)C(=O)[O-] 82878449 168335463 /nfs/dbraw/zinc/33/54/63/168335463.db2.gz RSSPDJJCQKXYRO-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]1CCC[NH2+]CC1 82392678 168335467 /nfs/dbraw/zinc/33/54/67/168335467.db2.gz XRCPGSHIRZSOSW-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]1CCC[NH2+]CC1 82392680 168335491 /nfs/dbraw/zinc/33/54/91/168335491.db2.gz XRCPGSHIRZSOSW-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+]Cc1ccccn1 35748420 168335518 /nfs/dbraw/zinc/33/55/18/168335518.db2.gz ASARPRKPTVDYIV-QMMMGPOBSA-N 0 0 194.234 1.034 10 0 ADAERN C[C@@H](CC(N)=O)Nc1cccc(F)c1 41207297 168335565 /nfs/dbraw/zinc/33/55/65/168335565.db2.gz WKKDUDMKXINMGZ-ZETCQYMHSA-N 0 0 196.225 1.502 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH+]1CCC(C)(C)CC1 61820559 168335587 /nfs/dbraw/zinc/33/55/87/168335587.db2.gz UKNNZKUBPIPETM-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](CC(N)=O)c1cccnc1 118742846 168335593 /nfs/dbraw/zinc/33/55/93/168335593.db2.gz KJFIAWCKGMRBLB-ZETCQYMHSA-N 0 0 164.208 1.061 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+]C1(C)CCCC1 42186844 168335626 /nfs/dbraw/zinc/33/56/26/168335626.db2.gz RSTCHQQZPMEKTB-QMMMGPOBSA-N 0 0 185.267 1.772 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]1CCC[N@H+](C)C1 82878462 168335649 /nfs/dbraw/zinc/33/56/49/168335649.db2.gz DUAFYHSVMBEKCS-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](CC(N)=O)c1ccc(F)c(F)c1 41209759 168335657 /nfs/dbraw/zinc/33/56/57/168335657.db2.gz OPKAITHCLTYPSO-LURJTMIESA-N 0 0 199.200 1.944 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH2+][C@@H](C)c1ccco1 35750572 168335663 /nfs/dbraw/zinc/33/56/63/168335663.db2.gz ZDIROPXABWPPJN-YUMQZZPRSA-N 0 0 197.234 1.793 10 0 ADAERN C[C@@H](CC(N)=O)c1ccccc1F 41201560 168335770 /nfs/dbraw/zinc/33/57/70/168335770.db2.gz CZQZSTAODYUPID-ZETCQYMHSA-N 0 0 181.210 1.805 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H](C)[NH+](C)C 82405477 168335871 /nfs/dbraw/zinc/33/58/71/168335871.db2.gz RPZGKTNJYPBKGS-BQBZGAKWSA-N 0 0 159.229 1.047 10 0 ADAERN C[C@@H](CC(=O)[O-])[NH+]1C[C@H](C)C[C@@H](C)C1 35750866 168335902 /nfs/dbraw/zinc/33/59/02/168335902.db2.gz MACGQFJGSBDWNS-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](CC(N)=O)Nc1ccccc1F 41207293 168335915 /nfs/dbraw/zinc/33/59/15/168335915.db2.gz UKRYTMLOKFJQDF-ZETCQYMHSA-N 0 0 196.225 1.502 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]1CCC[N@H+](C)C1 82878465 168336092 /nfs/dbraw/zinc/33/60/92/168336092.db2.gz DUAFYHSVMBEKCS-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](CC(N)=O)c1ccc(O)cc1 75569223 168336331 /nfs/dbraw/zinc/33/63/31/168336331.db2.gz JPQSESWYTLQXMZ-ZETCQYMHSA-N 0 0 179.219 1.371 10 0 ADAERN C[C@@H](CCCC(=O)[O-])[NH+](C)C 82405479 168336757 /nfs/dbraw/zinc/33/67/57/168336757.db2.gz YTONYLGJUCCLNB-ZETCQYMHSA-N 0 0 159.229 1.191 10 0 ADAERN C[C@@H](CCC(=O)[O-])[N@@H+]1CCC[C@@H](C)C1 50956321 168336913 /nfs/dbraw/zinc/33/69/13/168336913.db2.gz METPEXPYJFMKIP-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](CO)C1SCCCS1 135703962 343966586 /nfs/dbraw/zinc/96/65/86/343966586.db2.gz IANVBMCYSWVZDJ-LURJTMIESA-N 0 0 178.322 1.811 10 0 ADAERN C[C@@H](CCCO)O[C@H]1CCCCO1 205821056 168337130 /nfs/dbraw/zinc/33/71/30/168337130.db2.gz UMPQCUYZAKUHHG-UWVGGRQHSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@@H](CCCO)OCc1ccccn1 207024262 168337170 /nfs/dbraw/zinc/33/71/70/168337170.db2.gz HOGJNEJYRINJPP-JTQLQIEISA-N 0 0 195.262 1.759 10 0 ADAERN C[NH+](C)[C@H]1CCCC[C@@]1(C)C(=O)[O-] 135661576 343966587 /nfs/dbraw/zinc/96/65/87/343966587.db2.gz AWHLJNNZUPBEHO-WCBMZHEXSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](CCCO)O[C@@H]1CCCCO1 205821035 168337521 /nfs/dbraw/zinc/33/75/21/168337521.db2.gz UMPQCUYZAKUHHG-VHSXEESVSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@@H](CCCO)OCc1ccncc1 207024451 168337859 /nfs/dbraw/zinc/33/78/59/168337859.db2.gz YUOPRXMJFREIEB-JTQLQIEISA-N 0 0 195.262 1.759 10 0 ADAERN C[C@@H](CCCCO)C(C)(C)O 33506099 168338050 /nfs/dbraw/zinc/33/80/50/168338050.db2.gz BGQNNKZAJXZSPQ-QMMMGPOBSA-N 0 0 160.257 1.556 10 0 ADAERN O=C1C=CC2(CCCC2)O1 135688620 343966594 /nfs/dbraw/zinc/96/65/94/343966594.db2.gz ZCQXVRLIDORDIR-UHFFFAOYSA-N 0 0 138.166 1.412 10 0 ADAERN C[C@@H](CF)NC(=O)C1CC=CC1 307202601 168339142 /nfs/dbraw/zinc/33/91/42/168339142.db2.gz FUDZELWRZNIOGY-ZETCQYMHSA-N 0 0 171.215 1.427 10 0 ADAERN C[C@@H](CCc1ccco1)NN 75541702 168339359 /nfs/dbraw/zinc/33/93/59/168339359.db2.gz RRCIVKYFKJBEMM-ZETCQYMHSA-N 0 0 154.213 1.064 10 0 ADAERN C[C@@H](CCO)c1ccc2c(c1)OCO2 41206623 168339475 /nfs/dbraw/zinc/33/94/75/168339475.db2.gz OKHRWHFEXTUWDR-QMMMGPOBSA-N 0 0 194.230 1.901 10 0 ADAERN C[C@@H](CF)NC(=O)C1=CCC1 306508391 168340077 /nfs/dbraw/zinc/34/00/77/168340077.db2.gz ALRLILOAZLEUMQ-LURJTMIESA-N 0 0 157.188 1.181 10 0 ADAERN C[C@@H](CCc1ccccc1)NO 132027580 168340295 /nfs/dbraw/zinc/34/02/95/168340295.db2.gz JDLQETWZGAHCSH-VIFPVBQESA-N 0 0 165.236 1.987 10 0 ADAERN C[C@@H](C[N@H+](C)CC(C)(C)C)C(=O)[O-] 45083820 168340644 /nfs/dbraw/zinc/34/06/44/168340644.db2.gz RTPCCXRIVAQAGA-QMMMGPOBSA-N 0 0 187.283 1.685 10 0 ADAERN C[NH+](C)[C@@H]1CCCC[C@]1(C)C(=O)[O-] 135661608 343966601 /nfs/dbraw/zinc/96/66/01/343966601.db2.gz AWHLJNNZUPBEHO-SCZZXKLOSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](CN(C)CC(F)F)C(N)=S 42457338 168341308 /nfs/dbraw/zinc/34/13/08/168341308.db2.gz SDJVQCHOCPBNQG-YFKPBYRVSA-N 0 0 196.266 1.106 10 0 ADAERN C[NH+](C)[C@H]1CCCC[C@]1(C)C(=O)[O-] 135661534 343966603 /nfs/dbraw/zinc/96/66/03/343966603.db2.gz AWHLJNNZUPBEHO-WPRPVWTQSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](C[N@H+](C)C1CCCCC1)C(=O)[O-] 36302959 168341986 /nfs/dbraw/zinc/34/19/86/168341986.db2.gz VLBIRORXYQKXTJ-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCNc1cnccc1C(N)=S 135629875 343966606 /nfs/dbraw/zinc/96/66/06/343966606.db2.gz OUQDREHNCFLKTO-UHFFFAOYSA-N 0 0 181.264 1.148 10 0 ADAERN Cc1nn(-c2ccccn2)cc1N 135707633 343966609 /nfs/dbraw/zinc/96/66/09/343966609.db2.gz BEHJNWVPYYRQPC-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C[C@@H](C[NH+]1CCCCCCC1)C(=O)[O-] 35759469 168346373 /nfs/dbraw/zinc/34/63/73/168346373.db2.gz HAECIPAPPDXTLV-JTQLQIEISA-N 0 0 199.294 1.973 10 0 ADAERN C[C@@H](C[NH3+])c1cccc(C(=O)[O-])c1 44250070 168346390 /nfs/dbraw/zinc/34/63/90/168346390.db2.gz MPSNVZUSDMBWMI-ZETCQYMHSA-N 0 0 179.219 1.447 10 0 ADAERN C[C@@H](CN1CCOCC1)C(F)(F)F 306348454 168346435 /nfs/dbraw/zinc/34/64/35/168346435.db2.gz TZXCJRUZLIVBSC-ZETCQYMHSA-N 0 0 197.200 1.517 10 0 ADAERN C[C@@H](C[NH+]1CCC(C)(C)CC1)C(=O)[O-] 61820567 168346663 /nfs/dbraw/zinc/34/66/63/168346663.db2.gz FKZQUYZXVZYNRL-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN C[C@@H](CO)COc1ccc(F)cc1 41202620 168347749 /nfs/dbraw/zinc/34/77/49/168347749.db2.gz WQNBDHQQAHURCT-QMMMGPOBSA-N 0 0 184.210 1.833 10 0 ADAERN C[C@@H](CNO)c1ccccc1 82840858 168347822 /nfs/dbraw/zinc/34/78/22/168347822.db2.gz WMJISPVOIOKMNI-QMMMGPOBSA-N 0 0 151.209 1.769 10 0 ADAERN C[C@@H](CO)C(=O)c1ccccc1O 75569805 168347872 /nfs/dbraw/zinc/34/78/72/168347872.db2.gz QXAYMBAVBAFAFC-ZETCQYMHSA-N 0 0 180.203 1.203 10 0 ADAERN C[C@@H](CO)COc1cccc(F)c1 41202605 168348036 /nfs/dbraw/zinc/34/80/36/168348036.db2.gz FGTBEQSOXLZDCM-QMMMGPOBSA-N 0 0 184.210 1.833 10 0 ADAERN C[C@@H](CNc1cccc(F)c1)C(N)=O 37227297 168348152 /nfs/dbraw/zinc/34/81/52/168348152.db2.gz GAFOKRVKHABTAC-ZETCQYMHSA-N 0 0 196.225 1.359 10 0 ADAERN C[C@@H](CO)C1CCCC1 39375199 168348194 /nfs/dbraw/zinc/34/81/94/168348194.db2.gz CAUGGFPRZKOLJT-ZETCQYMHSA-N 0 0 128.215 1.805 10 0 ADAERN C[C@@H](CO)CCO[C@H]1CCCCO1 196359836 168348199 /nfs/dbraw/zinc/34/81/99/168348199.db2.gz AYHWDOQHYHOHMB-ZJUUUORDSA-N 0 0 188.267 1.548 10 0 ADAERN C[C@@H](C[NH2+][C@H]1CC1(C)C)C(=O)[O-] 45119513 168348373 /nfs/dbraw/zinc/34/83/73/168348373.db2.gz GPVHXNXWYDQPMS-BQBZGAKWSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@@H](C[N@@H+]1[C@@H](C)CCC[C@H]1C)C(=O)[O-] 49478442 168348383 /nfs/dbraw/zinc/34/83/83/168348383.db2.gz LYIRIKWODSUPAU-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H](C[NH2+]C(C)(C)C)C(=O)[O-] 49804697 168348385 /nfs/dbraw/zinc/34/83/85/168348385.db2.gz OKRSNVLILCYDCQ-LURJTMIESA-N 0 0 159.229 1.095 10 0 ADAERN C[C@@H](C[NH2+]C1(C)CCCC1)C(=O)[O-] 42186856 168348405 /nfs/dbraw/zinc/34/84/05/168348405.db2.gz IVWWRWSCUBKRAN-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H](CNc1ccc(F)cc1)C(N)=O 37227311 168348546 /nfs/dbraw/zinc/34/85/46/168348546.db2.gz GPAZGFKCEWFFPV-ZETCQYMHSA-N 0 0 196.225 1.359 10 0 ADAERN C[C@@H](C[NH2+]CC(=O)[O-])c1ccccc1 34959437 168348614 /nfs/dbraw/zinc/34/86/14/168348614.db2.gz MFEQJJZRXBXZDQ-VIFPVBQESA-N 0 0 193.246 1.464 10 0 ADAERN C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] 169676125 168348646 /nfs/dbraw/zinc/34/86/46/168348646.db2.gz KTBKCUFBAYJHQZ-BBBLOLIVSA-N 0 0 199.294 1.685 10 0 ADAERN C[C@@H](CNc1ccccc1F)C(N)=O 37227319 168348659 /nfs/dbraw/zinc/34/86/59/168348659.db2.gz KOXVTTUIWKTPJR-ZETCQYMHSA-N 0 0 196.225 1.359 10 0 ADAERN C[C@@H](C[NH2+][C@@H](C)c1ccco1)C(=O)[O-] 35759196 168348667 /nfs/dbraw/zinc/34/86/67/168348667.db2.gz VNIVSQLXVQGJOB-YUMQZZPRSA-N 0 0 197.234 1.651 10 0 ADAERN C[C@@H](C[NH2+][C@@H]1CC1(C)C)C(=O)[O-] 45119509 168349005 /nfs/dbraw/zinc/34/90/05/168349005.db2.gz GPVHXNXWYDQPMS-NKWVEPMBSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@@H](CO)CC[C@@H](C)CO 1765534 168349111 /nfs/dbraw/zinc/34/91/11/168349111.db2.gz OQYKKQQLTKPGSG-HTQZYQBOSA-N 0 0 146.230 1.023 10 0 ADAERN C[C@@H](CO)CCO[C@@H]1CCCCO1 196359817 168349261 /nfs/dbraw/zinc/34/92/61/168349261.db2.gz AYHWDOQHYHOHMB-NXEZZACHSA-N 0 0 188.267 1.548 10 0 ADAERN C[C@@H](C[NH2+][C@H](C)c1ccco1)C(=O)[O-] 35759201 168349305 /nfs/dbraw/zinc/34/93/05/168349305.db2.gz VNIVSQLXVQGJOB-JGVFFNPUSA-N 0 0 197.234 1.651 10 0 ADAERN C[C@@H](CO)C(=O)c1ccccc1 21997006 168349324 /nfs/dbraw/zinc/34/93/24/168349324.db2.gz YHHKOCQFUSUCCG-QMMMGPOBSA-N 0 0 164.204 1.498 10 0 ADAERN C[C@@H](CO)COc1ccccc1F 41202590 168349347 /nfs/dbraw/zinc/34/93/47/168349347.db2.gz RREWASUCOURCND-QMMMGPOBSA-N 0 0 184.210 1.833 10 0 ADAERN C[C@@H](CNC(N)=S)c1ccccc1 116646289 168349488 /nfs/dbraw/zinc/34/94/88/168349488.db2.gz NHRCTOSRUASFLK-QMMMGPOBSA-N 0 0 194.303 1.623 10 0 ADAERN C[C@@H](CO)Cc1ccco1 34075448 168350033 /nfs/dbraw/zinc/35/00/33/168350033.db2.gz MKCIKJZVCSSIEB-SSDOTTSWSA-N 0 0 140.182 1.451 10 0 ADAERN C[C@@H](CO)N(C)C(=O)C1CC(C)(C)C1 334452391 168350046 /nfs/dbraw/zinc/35/00/46/168350046.db2.gz YKAMXPQFDAUUPF-QMMMGPOBSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H](CO)N(C)C(=O)C1=CCCCC1 335734399 168350387 /nfs/dbraw/zinc/35/03/87/168350387.db2.gz LLKANXZDDIRALK-VIFPVBQESA-N 0 0 197.278 1.326 10 0 ADAERN C[C@@H](CO)C[C@H]1COC(C)(C)O1 88462689 168350624 /nfs/dbraw/zinc/35/06/24/168350624.db2.gz BHOMSQWMIXVGAE-SFYZADRCSA-N 0 0 174.240 1.156 10 0 ADAERN C[C@@H](CO)Cc1ccsc1 38973050 168351482 /nfs/dbraw/zinc/35/14/82/168351482.db2.gz GJIDIYVVDJDRPC-SSDOTTSWSA-N 0 0 156.250 1.919 10 0 ADAERN C[C@@H](CO)Cc1cccs1 38251046 168351642 /nfs/dbraw/zinc/35/16/42/168351642.db2.gz QTTLTIYCZIWHHS-SSDOTTSWSA-N 0 0 156.250 1.919 10 0 ADAERN C[C@@H](CO)NC(=O)Oc1ccccc1 35233732 168351657 /nfs/dbraw/zinc/35/16/57/168351657.db2.gz SQQNUEDTBLWDMO-QMMMGPOBSA-N 0 0 195.218 1.156 10 0 ADAERN C[C@@H](CO)Nc1ccc(N)cc1F 35600393 168351940 /nfs/dbraw/zinc/35/19/40/168351940.db2.gz IKTWEMXEWAZUKY-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)OCO2 41201172 168351943 /nfs/dbraw/zinc/35/19/43/168351943.db2.gz NDMHYKOBRCUQNN-ZETCQYMHSA-N 0 0 180.203 1.511 10 0 ADAERN C[C@@H](C[C@@H](C)O)OC(C)(C)C 17408210 168351962 /nfs/dbraw/zinc/35/19/62/168351962.db2.gz WELRQTQVSYOPGS-SFYZADRCSA-N 0 0 160.257 1.961 10 0 ADAERN C[C@@H](CO)c1cccs1 41166976 168351986 /nfs/dbraw/zinc/35/19/86/168351986.db2.gz MDOCNASYRBQPCP-LURJTMIESA-N 0 0 142.223 1.844 10 0 ADAERN C[C@@H](CO)[C@@H]([NH3+])c1ccccc1Cl 44396355 168352052 /nfs/dbraw/zinc/35/20/52/168352052.db2.gz BGURUFQNKOKLNL-OIBJUYFYSA-N 0 0 199.681 1.968 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)COC2=O 222918788 168352067 /nfs/dbraw/zinc/35/20/67/168352067.db2.gz RUQVBGCFDPWBBL-ZETCQYMHSA-N 0 0 192.214 1.453 10 0 ADAERN C[C@@H](COc1ccccc1F)C(N)=O 41207465 168352182 /nfs/dbraw/zinc/35/21/82/168352182.db2.gz FKFXIYUIQWLLTC-ZETCQYMHSA-N 0 0 197.209 1.326 10 0 ADAERN C[C@@H](CO)Nc1cccc(F)c1N 37419634 168352227 /nfs/dbraw/zinc/35/22/27/168352227.db2.gz CPKLNTFQZXCGAY-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](CO)Nc1ccccc1F 38119968 168352274 /nfs/dbraw/zinc/35/22/74/168352274.db2.gz MEHDMDKNRUCJSK-ZETCQYMHSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@@H](CO)Nc1cc(F)ccc1N 52120214 168352285 /nfs/dbraw/zinc/35/22/85/168352285.db2.gz WNPSKYDXTZBMKW-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](CO)Nc1ccccc1 38112878 168352325 /nfs/dbraw/zinc/35/23/25/168352325.db2.gz YKDVNAIVOFRLQX-QMMMGPOBSA-N 0 0 151.209 1.479 10 0 ADAERN C[C@@H](CO)Oc1cccc(F)c1 41168294 168352327 /nfs/dbraw/zinc/35/23/27/168352327.db2.gz RYUNGGVXALWGES-ZETCQYMHSA-N 0 0 170.183 1.585 10 0 ADAERN C[C@@H](CO)Nc1cccc(N)c1 35600389 168352364 /nfs/dbraw/zinc/35/23/64/168352364.db2.gz XXBZEGUABMPCLH-ZETCQYMHSA-N 0 0 166.224 1.062 10 0 ADAERN C[C@@H](CO)[C@H]([NH3+])c1ccccc1Cl 44396353 168352429 /nfs/dbraw/zinc/35/24/29/168352429.db2.gz BGURUFQNKOKLNL-XVKPBYJWSA-N 0 0 199.681 1.968 10 0 ADAERN C[C@@H](CO)n1ccc(C(F)(F)F)n1 76635979 168352457 /nfs/dbraw/zinc/35/24/57/168352457.db2.gz ITWQRHRVZRCKGB-YFKPBYRVSA-N 0 0 194.156 1.455 10 0 ADAERN C[C@@H](CO)n1cccc1 39095419 168352497 /nfs/dbraw/zinc/35/24/97/168352497.db2.gz VBNRCVMIYVVLNE-ZETCQYMHSA-N 0 0 125.171 1.041 10 0 ADAERN C[C@@H](COc1ccc(F)cc1)C(N)=O 41207475 168352517 /nfs/dbraw/zinc/35/25/17/168352517.db2.gz HTXMPRYYIQFILV-ZETCQYMHSA-N 0 0 197.209 1.326 10 0 ADAERN C[C@@H](CO)Oc1ccc2c(c1)OCO2 41207246 168352536 /nfs/dbraw/zinc/35/25/36/168352536.db2.gz SBYOSOXFWMVLOO-ZETCQYMHSA-N 0 0 196.202 1.175 10 0 ADAERN C[C@@H](CO)c1ccc(O)cc1 75539450 168352548 /nfs/dbraw/zinc/35/25/48/168352548.db2.gz KPKVDZBNVDKRIJ-ZETCQYMHSA-N 0 0 152.193 1.488 10 0 ADAERN C[C@@H](COc1ccc(F)nc1)[NH+](C)C 13819631 168352609 /nfs/dbraw/zinc/35/26/09/168352609.db2.gz ZUPPRERYFMPIHR-QMMMGPOBSA-N 0 0 198.241 1.550 10 0 ADAERN C[C@@H](CO)Oc1ccc2c(c1)CCC2 41205931 168352684 /nfs/dbraw/zinc/35/26/84/168352684.db2.gz XSFTWKRNQJGWLO-VIFPVBQESA-N 0 0 192.258 1.935 10 0 ADAERN C[C@@H](CO)Nc1ccc(F)cc1N 35600412 168352766 /nfs/dbraw/zinc/35/27/66/168352766.db2.gz HNHLUJCJHWSJEM-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](COC(C)(C)C)OCCCO 6020854 168352771 /nfs/dbraw/zinc/35/27/71/168352771.db2.gz OYBCJPZUEMNMGD-VIFPVBQESA-N 0 0 190.283 1.589 10 0 ADAERN C[C@@H](CO)Nc1cccc(F)c1 38119302 168352774 /nfs/dbraw/zinc/35/27/74/168352774.db2.gz KGUXXSQVGQJWJU-ZETCQYMHSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@@H](CO)Nc1cc(N)cc(F)c1 37667980 168352819 /nfs/dbraw/zinc/35/28/19/168352819.db2.gz PVXLTGMRUWZJLR-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](CO)Oc1ccc(F)c(F)c1 41204067 168352846 /nfs/dbraw/zinc/35/28/46/168352846.db2.gz RPLFHYWSKUWTGW-LURJTMIESA-N 0 0 188.173 1.724 10 0 ADAERN C[C@@H](CO)Nc1ccc(F)cc1 38114228 168352891 /nfs/dbraw/zinc/35/28/91/168352891.db2.gz BLQGDQUZUPQNGR-ZETCQYMHSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@@H](CO)OC(=O)c1ccccc1 6020798 168352934 /nfs/dbraw/zinc/35/29/34/168352934.db2.gz LBPLLQWWWCNJBE-QMMMGPOBSA-N 0 0 180.203 1.224 10 0 ADAERN C[C@@H](COC(=O)c1ccco1)[NH+](C)C 38804079 168352949 /nfs/dbraw/zinc/35/29/49/168352949.db2.gz VOGIDNHCSGGDEL-QMMMGPOBSA-N 0 0 197.234 1.387 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)OCCO2 41206617 168352979 /nfs/dbraw/zinc/35/29/79/168352979.db2.gz XOJMKLPAOQRYPJ-QMMMGPOBSA-N 0 0 194.230 1.554 10 0 ADAERN C[C@@H](COc1ccccc1)C(N)=O 41200757 168353210 /nfs/dbraw/zinc/35/32/10/168353210.db2.gz IMMBLUVHXGDCIY-QMMMGPOBSA-N 0 0 179.219 1.187 10 0 ADAERN C[C@@H](C[C@@H]1CCC[N@H+](C)C1)C(=O)[O-] 96864806 168353298 /nfs/dbraw/zinc/35/32/98/168353298.db2.gz VTOBDIZRTBLNJO-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](COc1cccc(F)c1)C(N)=O 41207470 168353305 /nfs/dbraw/zinc/35/33/05/168353305.db2.gz DEQOUHZSOFKBET-ZETCQYMHSA-N 0 0 197.209 1.326 10 0 ADAERN C[C@@H](CO)Nc1ccccc1N 35600451 168353306 /nfs/dbraw/zinc/35/33/06/168353306.db2.gz AOVFCLOFCOOZCM-ZETCQYMHSA-N 0 0 166.224 1.062 10 0 ADAERN C[C@@H](C[C@H]1CCC[N@H+](C)C1)C(=O)[O-] 96864808 168353436 /nfs/dbraw/zinc/35/34/36/168353436.db2.gz VTOBDIZRTBLNJO-DTWKUNHWSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H](CO)OC(C)(C)C 36419636 168353449 /nfs/dbraw/zinc/35/34/49/168353449.db2.gz GIWJLGYZXWVBDL-LURJTMIESA-N 0 0 132.203 1.182 10 0 in-vitro ADAERN C[C@@H](CO)c1cccnc1 39050988 168353478 /nfs/dbraw/zinc/35/34/78/168353478.db2.gz UWGLUJFAHOUNKV-ZETCQYMHSA-N 0 0 137.182 1.177 10 0 ADAERN C[C@@H](CO)Oc1ccc(F)cc1F 41204063 168353488 /nfs/dbraw/zinc/35/34/88/168353488.db2.gz SLFOGPJQVQRFAJ-LURJTMIESA-N 0 0 188.173 1.724 10 0 ADAERN C[C@@H](Cc1ccccc1F)NC(N)=O 335248009 168353904 /nfs/dbraw/zinc/35/39/04/168353904.db2.gz HIOKVKDTFSCXQV-ZETCQYMHSA-N 0 0 196.225 1.425 10 0 ADAERN C[C@@H](Cc1ccco1)N1CCC(=O)C1 42590049 168353986 /nfs/dbraw/zinc/35/39/86/168353986.db2.gz PEBXFFQUMGGOKU-VIFPVBQESA-N 0 0 193.246 1.485 10 0 ADAERN C[C@@H](Cc1ccccn1)N=O 33414067 168354035 /nfs/dbraw/zinc/35/40/35/168354035.db2.gz CPPSETZNQJBRDQ-ZETCQYMHSA-N 0 0 150.181 1.779 10 0 ADAERN C[C@@H](Cc1ccccc1)NO 2020042 168354041 /nfs/dbraw/zinc/35/40/41/168354041.db2.gz LPZRPPBVFGJUOJ-QMMMGPOBSA-N 0 0 151.209 1.596 10 0 ADAERN C[C@@H](Cc1ccccc1)NN(C)C 19167437 168354471 /nfs/dbraw/zinc/35/44/71/168354471.db2.gz PNZKOOCCVBURLG-JTQLQIEISA-N 0 0 178.279 1.684 10 0 ADAERN C[C@@H](Cc1ccco1)NC(N)=S 42590643 168354575 /nfs/dbraw/zinc/35/45/75/168354575.db2.gz SKXVUTNAAFILRC-LURJTMIESA-N 0 0 184.264 1.044 10 0 ADAERN C[C@@H](Cc1ccccc1Cl)NN 19168703 168354996 /nfs/dbraw/zinc/35/49/96/168354996.db2.gz COINVRBAZJCGDB-ZETCQYMHSA-N 0 0 184.670 1.734 10 0 ADAERN C[C@@H](Cc1ccco1)n1nccc1N 62772183 168355025 /nfs/dbraw/zinc/35/50/25/168355025.db2.gz KLKSDLKJTBGPHW-QMMMGPOBSA-N 0 0 191.234 1.862 10 0 ADAERN C[C@@H](Cn1ccnc1)NCC(F)F 49235078 168355228 /nfs/dbraw/zinc/35/52/28/168355228.db2.gz HHMAFPTTWNFNIM-ZETCQYMHSA-N 0 0 189.209 1.126 10 0 ADAERN C[C@@H](Cn1cccc1C(=O)[O-])[NH+](C)C 45109259 168355542 /nfs/dbraw/zinc/35/55/42/168355542.db2.gz WISRVSLSNLCAPN-QMMMGPOBSA-N 0 0 196.250 1.136 10 0 ADAERN C[C@@H](F)CCn1occc1=O 307516801 168355598 /nfs/dbraw/zinc/35/55/98/168355598.db2.gz HSSWFCBJWQIBQZ-ZCFIWIBFSA-N 0 0 159.160 1.189 10 0 ADAERN C[C@@H](N(C)C(N)=S)C(C)(C)C 42767469 168355611 /nfs/dbraw/zinc/35/56/11/168355611.db2.gz KDCPVRXMBOOUJA-ZCFIWIBFSA-N 0 0 174.313 1.596 10 0 ADAERN C[C@@H](F)c1cc(=O)[nH]c(=S)[nH]1 36455949 168355907 /nfs/dbraw/zinc/35/59/07/168355907.db2.gz OIMOJWAQRGLWKW-GSVOUGTGSA-N 0 0 174.200 1.463 10 0 ADAERN C[C@@H](F)CCNC(=O)N1CC(F)C1 335578354 168355935 /nfs/dbraw/zinc/35/59/35/168355935.db2.gz ZSLQGVCJZFSTKA-ZCFIWIBFSA-N 0 0 192.209 1.098 10 0 ADAERN C[C@@H](F)CCNC(=O)N1CCCC1 334498239 168356503 /nfs/dbraw/zinc/35/65/03/168356503.db2.gz MEMJPHGGZZATOM-MRVPVSSYSA-N 0 0 188.246 1.540 10 0 ADAERN C[C@@H](Cn1ccnc1)n1cccc1 49236891 168356563 /nfs/dbraw/zinc/35/65/63/168356563.db2.gz KPCZPNGPXVIJEF-JTQLQIEISA-N 0 0 175.235 1.946 10 0 ADAERN C[C@@H](N(C)C(N)=O)C(C)(C)C 42266172 168356629 /nfs/dbraw/zinc/35/66/29/168356629.db2.gz ORWGSJNWWCKSTP-ZCFIWIBFSA-N 0 0 158.245 1.432 10 0 ADAERN C[C@@H](N)C(=O)OCc1cccs1 42462881 168357395 /nfs/dbraw/zinc/35/73/95/168357395.db2.gz YCUDNJYIKHJUDX-ZCFIWIBFSA-N 0 0 185.248 1.139 10 0 ADAERN C[C@@H](N)C(=O)c1ccc(Cl)cc1O 82912223 168357508 /nfs/dbraw/zinc/35/75/08/168357508.db2.gz NPFJKJGDTUTVJU-RXMQYKEDSA-N 0 0 199.637 1.576 10 0 ADAERN C[C@@H](N)C(=O)c1cc(F)ccc1O 82875492 168357663 /nfs/dbraw/zinc/35/76/63/168357663.db2.gz SGCPMZQNMSBPSS-RXMQYKEDSA-N 0 0 183.182 1.061 10 0 ADAERN C[C@@H](N)C(=O)Oc1ccc(F)cc1 49805817 168357883 /nfs/dbraw/zinc/35/78/83/168357883.db2.gz OAKJTHGTFJIWNX-ZCFIWIBFSA-N 0 0 183.182 1.078 10 0 ADAERN C[C@@H](N)C(=O)OCCc1cccs1 42462883 168357887 /nfs/dbraw/zinc/35/78/87/168357887.db2.gz JAYDGNWSSPDXLR-SSDOTTSWSA-N 0 0 199.275 1.181 10 0 ADAERN C[C@@H](N)C(=O)Oc1ccccc1Cl 49812071 168358021 /nfs/dbraw/zinc/35/80/21/168358021.db2.gz DPZLFWXXOIOMMB-ZCFIWIBFSA-N 0 0 199.637 1.593 10 0 ADAERN C[C@@H](N)C(=O)OCCC(C)(C)C 77265366 168358247 /nfs/dbraw/zinc/35/82/47/168358247.db2.gz PGSKVWFUUCAMNU-SSDOTTSWSA-N 0 0 173.256 1.313 10 0 ADAERN C[C@@H](N)C(=O)OCc1ccccc1F 49811710 168358276 /nfs/dbraw/zinc/35/82/76/168358276.db2.gz AGIWAJHQWVEFGT-SSDOTTSWSA-N 0 0 197.209 1.216 10 0 ADAERN C[C@@H](N)C(=O)O[C@H](C)c1ccccc1 42462861 168358423 /nfs/dbraw/zinc/35/84/23/168358423.db2.gz DCTUMHBWCJEEIT-RKDXNWHRSA-N 0 0 193.246 1.638 10 0 ADAERN C[C@@H](N)C(=O)OC1CCCCCC1 40954489 168358611 /nfs/dbraw/zinc/35/86/11/168358611.db2.gz NVIGEYFNAMZUDZ-MRVPVSSYSA-N 0 0 185.267 1.600 10 0 ADAERN C[C@@H](N)C(=O)OCC1CCCCC1 52145412 168358626 /nfs/dbraw/zinc/35/86/26/168358626.db2.gz PDNQUBCAWUIRPD-MRVPVSSYSA-N 0 0 185.267 1.457 10 0 ADAERN C[C@@H](N)C(=O)Oc1ccccc1F 49805811 168358647 /nfs/dbraw/zinc/35/86/47/168358647.db2.gz MGMUZJMCASKCDL-ZCFIWIBFSA-N 0 0 183.182 1.078 10 0 ADAERN C[C@@H](N)C(=O)c1c(F)cccc1F 82392912 168358689 /nfs/dbraw/zinc/35/86/89/168358689.db2.gz SGHUUJGEJBYUPW-RXMQYKEDSA-N 0 0 185.173 1.495 10 0 ADAERN C[C@@H](N)C(=O)c1cc2ccccc2o1 82880888 168358697 /nfs/dbraw/zinc/35/86/97/168358697.db2.gz KGIPWCFGHOFMNP-SSDOTTSWSA-N 0 0 189.214 1.963 10 0 ADAERN C[C@@H](N)C(=O)Oc1cccc(Cl)c1 49812074 168358753 /nfs/dbraw/zinc/35/87/53/168358753.db2.gz FGIQCSZMASEWSS-ZCFIWIBFSA-N 0 0 199.637 1.593 10 0 ADAERN C[C@@H](N)C(=O)c1ccc(Cl)s1 36156565 168358759 /nfs/dbraw/zinc/35/87/59/168358759.db2.gz KDPSTTFSFCKVEF-SCSAIBSYSA-N 0 0 189.667 1.931 10 0 ADAERN C[C@@H](N)C(=O)O[C@H]1CCCC[C@H]1C 34212058 168358829 /nfs/dbraw/zinc/35/88/29/168358829.db2.gz FBCMNYSHUKBPDJ-HLTSFMKQSA-N 0 0 185.267 1.456 10 0 ADAERN C[C@@H](N)C(=O)Oc1ccc(Cl)cc1 49812077 168359018 /nfs/dbraw/zinc/35/90/18/168359018.db2.gz ZBTOVSMNNOULTN-ZCFIWIBFSA-N 0 0 199.637 1.593 10 0 ADAERN C[C@@H](N)C(=O)O[C@@H]1CCCC[C@H]1C 34212060 168359126 /nfs/dbraw/zinc/35/91/26/168359126.db2.gz FBCMNYSHUKBPDJ-IWSPIJDZSA-N 0 0 185.267 1.456 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1ccc([O-])cc1F 82884758 168359689 /nfs/dbraw/zinc/35/96/89/168359689.db2.gz WSRMIKJTNZCQAL-RXMQYKEDSA-N 0 0 183.182 1.061 10 0 ADAERN C[C@@H](N)C(=O)c1ccc(F)cc1O 82875484 168360140 /nfs/dbraw/zinc/36/01/40/168360140.db2.gz AHDBFTPJMLFEQI-RXMQYKEDSA-N 0 0 183.182 1.061 10 0 ADAERN C[C@@H]([NH3+])C/C(Cl)=C(\Cl)C(=O)[O-] 44410470 168360840 /nfs/dbraw/zinc/36/08/40/168360840.db2.gz UONLNWGNZXGFLT-OWVWHZGRSA-N 0 0 198.049 1.498 10 0 ADAERN C[C@@H](N)C(=O)c1cccc(F)c1O 82875488 168360872 /nfs/dbraw/zinc/36/08/72/168360872.db2.gz DOIVXQVMTXWCHW-RXMQYKEDSA-N 0 0 183.182 1.061 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1ccc([O-])c(F)c1 82884773 168360926 /nfs/dbraw/zinc/36/09/26/168360926.db2.gz MBAYRIITFORCQP-RXMQYKEDSA-N 0 0 183.182 1.061 10 0 ADAERN C[C@@H](N)C(=O)c1n[nH]c2ccccc12 82881048 168361070 /nfs/dbraw/zinc/36/10/70/168361070.db2.gz YUMZEPCKPBPTAU-ZCFIWIBFSA-N 0 0 189.218 1.093 10 0 ADAERN C[C@@H]([NH3+])C(=O)c1ccc([O-])cc1Cl 82912219 168361278 /nfs/dbraw/zinc/36/12/78/168361278.db2.gz SLPAQMPRPVREDK-RXMQYKEDSA-N 0 0 199.637 1.576 10 0 ADAERN C[C@@H]([NH3+])CC(C)(C)CC(=O)[O-] 17412105 168361287 /nfs/dbraw/zinc/36/12/87/168361287.db2.gz OHUNOKZZHHYFLV-ZCFIWIBFSA-N 0 0 159.229 1.225 10 0 ADAERN C[C@@H]([NH3+])Cc1ccc(C(=O)[O-])s1 44460478 168364003 /nfs/dbraw/zinc/36/40/03/168364003.db2.gz WDVUXJXYSOJIFT-RXMQYKEDSA-N 0 0 185.248 1.336 10 0 ADAERN C[C@@H]([NH3+])Cc1ccccc1C(=O)[O-] 44410355 168364560 /nfs/dbraw/zinc/36/45/60/168364560.db2.gz GURPUCJRJDWTBI-SSDOTTSWSA-N 0 0 179.219 1.275 10 0 ADAERN C[C@@H]([NH3+])Cc1cccc(C(=O)[O-])c1 44410963 168364686 /nfs/dbraw/zinc/36/46/86/168364686.db2.gz KFRAGQRCEQMZPA-SSDOTTSWSA-N 0 0 179.219 1.275 10 0 ADAERN C[C@@H]([NH3+])Cc1ccc(C(=O)[O-])cc1 44410440 168365013 /nfs/dbraw/zinc/36/50/13/168365013.db2.gz GUBGXBDJXWOIFT-SSDOTTSWSA-N 0 0 179.219 1.275 10 0 ADAERN C[C@@H]([NH3+])CNc1ccccc1C(=O)[O-] 39084027 168365121 /nfs/dbraw/zinc/36/51/21/168365121.db2.gz DEJXQZSQAOBEHA-SSDOTTSWSA-N 0 0 194.234 1.144 10 0 ADAERN C[C@@H]([NH3+])[C@@H](C(=O)[O-])c1ccsc1 83591630 168366751 /nfs/dbraw/zinc/36/67/51/168366751.db2.gz LUEWMCUOFODUJA-IYSWYEEDSA-N 0 0 185.248 1.264 10 0 ADAERN C[C@@H]([NH3+])[C@@H](C(=O)[O-])c1ccccc1 83591207 168366985 /nfs/dbraw/zinc/36/69/85/168366985.db2.gz HYFRYTQBFPABDO-VXNVDRBHSA-N 0 0 179.219 1.202 10 0 ADAERN C[C@@H]([NH3+])[C@H](C(=O)[O-])c1ccsc1 83591627 168367585 /nfs/dbraw/zinc/36/75/85/168367585.db2.gz LUEWMCUOFODUJA-VDTYLAMSSA-N 0 0 185.248 1.264 10 0 ADAERN C[C@@H]([NH3+])[C@H]1C[C@@H](CC(=O)[O-])C1(C)C 16990026 168367625 /nfs/dbraw/zinc/36/76/25/168367625.db2.gz QUZUVFROEQTDCN-GJMOJQLCSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@@H]([NH3+])[C@]1(C)CC[C@H](C(=O)[O-])C1(C)C 83591769 168367764 /nfs/dbraw/zinc/36/77/64/168367764.db2.gz NIKUUFTZTJXSFW-XLDPMVHQSA-N 0 0 199.294 1.861 10 0 ADAERN C[C@@H]([NH3+])[C@H](C(=O)[O-])c1ccccc1 83591201 168368066 /nfs/dbraw/zinc/36/80/66/168368066.db2.gz HYFRYTQBFPABDO-APPZFPTMSA-N 0 0 179.219 1.202 10 0 ADAERN C[C@@H]([NH3+])[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C 83591774 168368412 /nfs/dbraw/zinc/36/84/12/168368412.db2.gz KCIHWDJJDVREPW-XLDPMVHQSA-N 0 0 199.294 1.861 10 0 ADAERN C[C@@H]([NH3+])c1cc(F)c(F)c([O-])c1F 83592049 168369325 /nfs/dbraw/zinc/36/93/25/168369325.db2.gz RLUPTJGALHFVFJ-GSVOUGTGSA-N 0 0 191.152 1.829 10 0 ADAERN C[C@@H]([NH3+])c1cc(F)cc(C(=O)[O-])c1 83592967 168369717 /nfs/dbraw/zinc/36/97/17/168369717.db2.gz LMVFUJMQABVZOW-RXMQYKEDSA-N 0 0 183.182 1.544 10 0 ADAERN C[C@@H]([NH3+])c1ccc(F)c(C(=O)[O-])c1 75845066 168370073 /nfs/dbraw/zinc/37/00/73/168370073.db2.gz PTKVRNRSSOUCHG-RXMQYKEDSA-N 0 0 183.182 1.544 10 0 ADAERN C[C@@H]([NH3+])c1ccc([S-])cc1 70620923 168370293 /nfs/dbraw/zinc/37/02/93/168370293.db2.gz BYBGCPRKIOIVDZ-ZCFIWIBFSA-N 0 0 153.250 1.995 10 0 ADAERN C[C@@H]([NH3+])c1ccc(C(=O)[O-])s1 22862513 168370716 /nfs/dbraw/zinc/37/07/16/168370716.db2.gz PZSVHZMRCSAKTF-SCSAIBSYSA-N 0 0 171.221 1.466 10 0 ADAERN C[C@@H]([NH3+])c1cccc(C(=O)[O-])c1F 75927642 168370944 /nfs/dbraw/zinc/37/09/44/168370944.db2.gz XEVNCPPRCSHCTJ-RXMQYKEDSA-N 0 0 183.182 1.544 10 0 ADAERN C[C@@H](N)c1nc2cc(F)ccc2o1 82510321 168371934 /nfs/dbraw/zinc/37/19/34/168371934.db2.gz XKSUHPVZRVVZRT-RXMQYKEDSA-N 0 0 180.182 1.987 10 0 ADAERN C[C@@H](N)c1nc2cc(Cl)cnc2o1 71485447 168372064 /nfs/dbraw/zinc/37/20/64/168372064.db2.gz DUSXSVUSGVTQBK-SCSAIBSYSA-N 0 0 197.625 1.896 10 0 ADAERN C[C@@H](N)c1nc(CC(F)(F)F)no1 42413023 168373086 /nfs/dbraw/zinc/37/30/86/168373086.db2.gz POHWJZMJNJXTSE-GSVOUGTGSA-N 0 0 195.144 1.194 10 0 ADAERN C[C@@H](NC(=O)C1=CCC1)[C@@H]1CCOC1 336399322 168373479 /nfs/dbraw/zinc/37/34/79/168373479.db2.gz YWTWPKIHKIUQGH-PSASIEDQSA-N 0 0 195.262 1.248 10 0 ADAERN C[C@@H](N)c1nnc(C2CCC2)o1 50284293 168373592 /nfs/dbraw/zinc/37/35/92/168373592.db2.gz GQIIXVCOTOMNGG-RXMQYKEDSA-N 0 0 167.212 1.357 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccco2)s1 83280171 168373759 /nfs/dbraw/zinc/37/37/59/168373759.db2.gz PISXYKJKOVATDR-RXMQYKEDSA-N 0 0 195.247 1.818 10 0 ADAERN C[C@@H](N)c1nnc(-c2cccs2)o1 11586058 168373937 /nfs/dbraw/zinc/37/39/37/168373937.db2.gz ZHKGTXUPUYPCBR-RXMQYKEDSA-N 0 0 195.247 1.818 10 0 ADAERN C[C@@H](N)c1ncc(-c2cccnc2)o1 75845373 168373996 /nfs/dbraw/zinc/37/39/96/168373996.db2.gz NGIRFMNEWVTEKV-SSDOTTSWSA-N 0 0 189.218 1.756 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccco2)o1 11586054 168374130 /nfs/dbraw/zinc/37/41/30/168374130.db2.gz MASQSDGVXPJJIX-RXMQYKEDSA-N 0 0 179.179 1.349 10 0 ADAERN C[C@@H](N)c1nnc(C(F)(F)F)s1 83281629 168374191 /nfs/dbraw/zinc/37/41/91/168374191.db2.gz FCLYKLKPYIUQND-UWTATZPHSA-N 0 0 197.185 1.577 10 0 ADAERN C[C@@H](NC(=O)C1(C)CC1)c1cn[nH]c1 306388678 168374299 /nfs/dbraw/zinc/37/42/99/168374299.db2.gz OOROTJHSQKWVAD-SSDOTTSWSA-N 0 0 193.250 1.387 10 0 ADAERN C[C@@H](N)c1nnc(C(F)F)o1 50284323 168374373 /nfs/dbraw/zinc/37/43/73/168374373.db2.gz ZNEJIXJVCXRNSC-UWTATZPHSA-N 0 0 163.127 1.027 10 0 ADAERN C[C@@H](N)c1nnc([C@H]2CCCCO2)o1 50973780 168374389 /nfs/dbraw/zinc/37/43/89/168374389.db2.gz PONZINQVUMLMOJ-RNFRBKRXSA-N 0 0 197.238 1.331 10 0 ADAERN C[C@@H](N)c1nnc(N2CCCCC2)o1 11587259 168374408 /nfs/dbraw/zinc/37/44/08/168374408.db2.gz HWSGPSBLZBLPBF-SSDOTTSWSA-N 0 0 196.254 1.080 10 0 ADAERN C[C@@H](N)c1nc2cccnc2o1 71485440 168374416 /nfs/dbraw/zinc/37/44/16/168374416.db2.gz FXARDFVBVUYUDK-RXMQYKEDSA-N 0 0 163.180 1.243 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccsc2)o1 50284101 168374548 /nfs/dbraw/zinc/37/45/48/168374548.db2.gz ASIYMYYDVQXKIT-RXMQYKEDSA-N 0 0 195.247 1.818 10 0 ADAERN C[C@@H](N)c1nnc(CC2CCCC2)o1 50284255 168374612 /nfs/dbraw/zinc/37/46/12/168374612.db2.gz RFVZRHLAOWSIRJ-SSDOTTSWSA-N 0 0 195.266 1.822 10 0 ADAERN C[C@@H](N)c1nnc([C@@H]2CCCCO2)o1 50973776 168374713 /nfs/dbraw/zinc/37/47/13/168374713.db2.gz PONZINQVUMLMOJ-RQJHMYQMSA-N 0 0 197.238 1.331 10 0 ADAERN C[C@@H](NC(=O)C1=CCC1)C(F)(F)F 306512810 168374890 /nfs/dbraw/zinc/37/48/90/168374890.db2.gz QRAKFZRQFLGTCK-RXMQYKEDSA-N 0 0 193.168 1.774 10 0 ADAERN C[C@@H](N)c1nnc(CC2CC2)o1 50284373 168374995 /nfs/dbraw/zinc/37/49/95/168374995.db2.gz JYGFDVJRZCOWQP-RXMQYKEDSA-N 0 0 167.212 1.042 10 0 ADAERN C[C@@H](N)c1nnc(C(F)(F)F)o1 62152443 168375161 /nfs/dbraw/zinc/37/51/61/168375161.db2.gz LVHOUHBLHUTCGG-UWTATZPHSA-N 0 0 181.117 1.108 10 0 ADAERN C[C@@H]([NH2+]/C=C/c1ccccc1)C(=O)[O-] 100161639 168375170 /nfs/dbraw/zinc/37/51/70/168375170.db2.gz RCESYKVVJOWLEC-FCZSHJHJSA-N 0 0 191.230 1.720 10 0 ADAERN C[C@@H](N)c1nnc(CC(F)(F)F)o1 50284249 168375195 /nfs/dbraw/zinc/37/51/95/168375195.db2.gz PXDQCSIJFZBVNE-GSVOUGTGSA-N 0 0 195.144 1.194 10 0 ADAERN C[C@@H](N)c1nnc(C2CCCC2)o1 50284383 168375215 /nfs/dbraw/zinc/37/52/15/168375215.db2.gz FOBVEIMGSCXAMT-ZCFIWIBFSA-N 0 0 181.239 1.747 10 0 ADAERN C[C@@H](N)c1nnc(-c2cccnc2)o1 11586067 168375243 /nfs/dbraw/zinc/37/52/43/168375243.db2.gz VDGDKZVGNCXXNT-ZCFIWIBFSA-N 0 0 190.206 1.151 10 0 ADAERN C[C@@H](NC(=O)C1=CCC1)[C@H]1CCOC1 336399323 168375459 /nfs/dbraw/zinc/37/54/59/168375459.db2.gz YWTWPKIHKIUQGH-SCZZXKLOSA-N 0 0 195.262 1.248 10 0 ADAERN C[C@@H](N)c1nc2ncccc2o1 82522606 168375486 /nfs/dbraw/zinc/37/54/86/168375486.db2.gz RYEBMNBAEDFGFG-RXMQYKEDSA-N 0 0 163.180 1.243 10 0 ADAERN C[C@@H](NC#N)c1ccccc1 34266036 168375518 /nfs/dbraw/zinc/37/55/18/168375518.db2.gz LZSOVUZOYKEQQZ-MRVPVSSYSA-N 0 0 146.193 1.818 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccoc2)o1 50284113 168375666 /nfs/dbraw/zinc/37/56/66/168375666.db2.gz MGDASSNMROOSGG-RXMQYKEDSA-N 0 0 179.179 1.349 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccncc2)o1 11586072 168375792 /nfs/dbraw/zinc/37/57/92/168375792.db2.gz BFEONDSRYFUWGE-ZCFIWIBFSA-N 0 0 190.206 1.151 10 0 ADAERN C[C@@H](N)c1nnc(C(C)(C)C)o1 11586049 168375847 /nfs/dbraw/zinc/37/58/47/168375847.db2.gz URXQFSQXWBCBHS-RXMQYKEDSA-N 0 0 169.228 1.387 10 0 ADAERN C[C@@H](NC(=O)C1=CCC1)C1CC1 306863418 168375856 /nfs/dbraw/zinc/37/58/56/168375856.db2.gz IRSWTNDTMLGMOZ-SSDOTTSWSA-N 0 0 165.236 1.621 10 0 ADAERN C[C@@H](N)c1nnc(CC(C)(C)C)o1 50284259 168375918 /nfs/dbraw/zinc/37/59/18/168375918.db2.gz SIJJHQCPTCMXGB-ZCFIWIBFSA-N 0 0 183.255 1.678 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccccn2)o1 11586063 168375924 /nfs/dbraw/zinc/37/59/24/168375924.db2.gz HWODOHPBDLKGFP-ZCFIWIBFSA-N 0 0 190.206 1.151 10 0 ADAERN C[C@@H](N)c1nnc(-c2cscn2)o1 62362090 168376012 /nfs/dbraw/zinc/37/60/12/168376012.db2.gz MVYHABWARJGELN-SCSAIBSYSA-N 0 0 196.235 1.213 10 0 ADAERN C[C@@H](NC(N)=S)c1ccc(F)cc1 49509579 168376250 /nfs/dbraw/zinc/37/62/50/168376250.db2.gz MBGQADAYWRPWFK-ZCFIWIBFSA-N 0 0 198.266 1.720 10 0 ADAERN C[C@@H](NC(=O)c1cc(N)c[nH]1)C1CC1 36863148 168376407 /nfs/dbraw/zinc/37/64/07/168376407.db2.gz LPZDBJZWBDWULZ-ZCFIWIBFSA-N 0 0 193.250 1.125 10 0 ADAERN C[C@@H](NC(=O)[C@@]1(C)CCCO1)C1CC1 334543702 168376442 /nfs/dbraw/zinc/37/64/42/168376442.db2.gz QFMFBVLMBLXXCF-LDYMZIIASA-N 0 0 197.278 1.470 10 0 ADAERN C[C@@H](NC(=O)N[C@H]1CC12CC2)C1CC1 335043228 168376471 /nfs/dbraw/zinc/37/64/71/168376471.db2.gz SOEURTPGAHFVQG-APPZFPTMSA-N 0 0 194.278 1.637 10 0 ADAERN C[C@@H](NC(=O)C1=CCCCC1)C(N)=O 336008422 168376527 /nfs/dbraw/zinc/37/65/27/168376527.db2.gz GMLNZESFBXKJCP-SSDOTTSWSA-N 0 0 196.250 1.527 10 0 ADAERN C[C@@H](NC(=O)c1ccnnc1)C1CC1 334543204 168376586 /nfs/dbraw/zinc/37/65/86/168376586.db2.gz KTIXKHIWNUSDKM-SSDOTTSWSA-N 0 0 191.234 1.005 10 0 ADAERN C[C@@H](NC(N)=O)c1ccc(F)cc1 42227860 168376796 /nfs/dbraw/zinc/37/67/96/168376796.db2.gz UTVPMSWKZMMHFU-ZCFIWIBFSA-N 0 0 182.198 1.555 10 0 ADAERN C[C@@H](NC(N)=O)c1ccccc1F 42227917 168376832 /nfs/dbraw/zinc/37/68/32/168376832.db2.gz IZSUODVSKOSQQZ-ZCFIWIBFSA-N 0 0 182.198 1.555 10 0 ADAERN C[C@@H](NC(=O)[C@]1(C)CCCO1)C1CC1 334543701 168376931 /nfs/dbraw/zinc/37/69/31/168376931.db2.gz QFMFBVLMBLXXCF-KCJUWKMLSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@@H](NC(N)=S)c1ccco1 35739369 168377041 /nfs/dbraw/zinc/37/70/41/168377041.db2.gz OTZZRFIISFWLOG-RXMQYKEDSA-N 0 0 170.237 1.174 10 0 ADAERN C[C@@H](NC(N)=O)c1ccco1 35149370 168377055 /nfs/dbraw/zinc/37/70/55/168377055.db2.gz ZUFISCWCJGZGSE-RXMQYKEDSA-N 0 0 154.169 1.009 10 0 ADAERN C[C@@H](NC(=O)n1ccnc1)C1CC1 35734153 168377213 /nfs/dbraw/zinc/37/72/13/168377213.db2.gz PNVDKIMQHVFJTD-SSDOTTSWSA-N 0 0 179.223 1.239 10 0 ADAERN C[C@@H](NC(N)=S)[C@@H]1C[C@@H]2CC[C@H]1C2 40177200 168377220 /nfs/dbraw/zinc/37/72/20/168377220.db2.gz OSZQGNBFAXNHTO-HXFLIBJXSA-N 0 0 198.335 1.644 10 0 ADAERN C[C@@H](NC(=O)N1CCC1)C1CCCC1 334701836 168377266 /nfs/dbraw/zinc/37/72/66/168377266.db2.gz OPNARPFRZAIYDJ-SECBINFHSA-N 0 0 196.294 1.980 10 0 ADAERN C[C@@H](NC(N)=O)c1cccc(F)c1 42227925 168377297 /nfs/dbraw/zinc/37/72/97/168377297.db2.gz ZESXVGOMPNWKPY-ZCFIWIBFSA-N 0 0 182.198 1.555 10 0 ADAERN C[C@@H](NC(=O)C1CC(C)(C)C1)C(N)=O 336325589 168377456 /nfs/dbraw/zinc/37/74/56/168377456.db2.gz BSXLSVYXRFACRO-ZCFIWIBFSA-N 0 0 198.266 1.463 10 0 ADAERN C[C@@H](NC(N)=S)[C@H]1C[C@@H]2CC[C@H]1C2 40177202 168377532 /nfs/dbraw/zinc/37/75/32/168377532.db2.gz OSZQGNBFAXNHTO-LURQLKTLSA-N 0 0 198.335 1.644 10 0 ADAERN C[C@@H](NC(=O)N(C)C)C1CCCC1 123630120 168377577 /nfs/dbraw/zinc/37/75/77/168377577.db2.gz VOQIWQSDRYQCPP-MRVPVSSYSA-N 0 0 184.283 1.836 10 0 ADAERN C[C@@H](NC(=O)[C@H]1CC12CC2)C1CC1 335497240 168377667 /nfs/dbraw/zinc/37/76/67/168377667.db2.gz ZUBTUYZJFYKTIB-VXNVDRBHSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@@H](NC(N)=S)c1cccc(F)c1 49531058 168377679 /nfs/dbraw/zinc/37/76/79/168377679.db2.gz BVTUMFTYCIJRIC-ZCFIWIBFSA-N 0 0 198.266 1.720 10 0 ADAERN C[C@@H](NC(N)=O)c1cccs1 35149367 168377686 /nfs/dbraw/zinc/37/76/86/168377686.db2.gz GZCWIHYWSDDWHH-RXMQYKEDSA-N 0 0 170.237 1.477 10 0 ADAERN C[C@@H](NC(=O)N1CCCCO1)C1CC1 334457822 168377715 /nfs/dbraw/zinc/37/77/15/168377715.db2.gz PYDFXDOWSCFSAN-MRVPVSSYSA-N 0 0 198.266 1.522 10 0 ADAERN C[C@@H](NC(=O)C1CC=CC1)C1CC1 307005464 168377774 /nfs/dbraw/zinc/37/77/74/168377774.db2.gz DZWIOEKBGWYVRN-MRVPVSSYSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@@H](NC(=O)[C@@H]1CC12CC2)C1CC1 335497235 168377778 /nfs/dbraw/zinc/37/77/78/168377778.db2.gz ZUBTUYZJFYKTIB-APPZFPTMSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@@H](NC(=O)C1CC(C)(O)C1)C1CC1 334524373 168377800 /nfs/dbraw/zinc/37/78/00/168377800.db2.gz AMKFWNDLYPNLMG-DUWLDVDNSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@@H](NC(=O)N(C)C1CCC1)C1CC1 336406208 168377832 /nfs/dbraw/zinc/37/78/32/168377832.db2.gz ISUCIAXDQPLHGE-MRVPVSSYSA-N 0 0 196.294 1.979 10 0 ADAERN C[C@@H](NC(=O)c1cc(F)c[nH]1)C1CC1 334531590 168377888 /nfs/dbraw/zinc/37/78/88/168377888.db2.gz LQIVAVHBSIKAIU-ZCFIWIBFSA-N 0 0 196.225 1.682 10 0 ADAERN C[C@@H](NC(=O)N[C@@H]1CC12CC2)C1CC1 335043231 168377899 /nfs/dbraw/zinc/37/78/99/168377899.db2.gz SOEURTPGAHFVQG-VXNVDRBHSA-N 0 0 194.278 1.637 10 0 ADAERN C[C@@H]([NH2+]CC(=O)[O-])c1ccc(O)cc1 36723181 168378310 /nfs/dbraw/zinc/37/83/10/168378310.db2.gz CHKKZNGYVPLKAT-SSDOTTSWSA-N 0 0 195.218 1.127 10 0 ADAERN C[C@@H](NC1=NCCO1)c1cccs1 3607561 168378526 /nfs/dbraw/zinc/37/85/26/168378526.db2.gz JCTNPWVURHOJTC-SSDOTTSWSA-N 0 0 196.275 1.785 10 0 ADAERN C[C@@H](NC1COC1)C(C)(F)F 307025153 168378633 /nfs/dbraw/zinc/37/86/33/168378633.db2.gz GTKAKZWZHBLADL-RXMQYKEDSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@@H]([NH2+]CC(=O)[O-])c1ccco1 36723122 168378667 /nfs/dbraw/zinc/37/86/67/168378667.db2.gz PIZWTLMKWURWTP-ZCFIWIBFSA-N 0 0 169.180 1.015 10 0 ADAERN C[C@@H]([NH2+]CC(=O)[O-])c1cccc(F)c1 36722922 168378761 /nfs/dbraw/zinc/37/87/61/168378761.db2.gz INTWAOQLUKYRTE-SSDOTTSWSA-N 0 0 197.209 1.561 10 0 ADAERN C[C@@H]([NH2+]C1(C)CCCC1)C(=O)[O-] 43627627 168378914 /nfs/dbraw/zinc/37/89/14/168378914.db2.gz BFXUIGGWJFGTBF-SSDOTTSWSA-N 0 0 171.240 1.382 10 0 ADAERN C[C@@H]([NH2+]CC(=O)[O-])c1ccccc1F 36723135 168379189 /nfs/dbraw/zinc/37/91/89/168379189.db2.gz YBLUKKYIPHALTC-SSDOTTSWSA-N 0 0 197.209 1.561 10 0 ADAERN C[C@@H](NC(N)=S)c1cccs1 35736771 168379371 /nfs/dbraw/zinc/37/93/71/168379371.db2.gz HKEHWSUOPUXTPJ-RXMQYKEDSA-N 0 0 186.305 1.642 10 0 ADAERN C[C@@H]([NH2+]C1CCC1)c1cnccc1N 335044143 168379409 /nfs/dbraw/zinc/37/94/09/168379409.db2.gz TVPCOLDNVYALEI-MRVPVSSYSA-N 0 0 191.278 1.697 10 0 ADAERN C[C@@H](NCC(=O)N(C)C)c1ccco1 37116292 168379531 /nfs/dbraw/zinc/37/95/31/168379531.db2.gz UAMBMOSBLGQYRO-MRVPVSSYSA-N 0 0 196.250 1.018 10 0 ADAERN C[C@@H](NC=O)C(C)(C)C 33638485 168379689 /nfs/dbraw/zinc/37/96/89/168379689.db2.gz NFBFERYHCPXWCC-ZCFIWIBFSA-N 0 0 129.203 1.167 10 0 ADAERN C[C@@H](NCC(=O)OC(C)(C)C)C1CC1 37394413 168379861 /nfs/dbraw/zinc/37/98/61/168379861.db2.gz CCSBINXPWPXXHI-MRVPVSSYSA-N 0 0 199.294 1.716 10 0 ADAERN C[C@@H](NCC(F)F)c1ccncc1 37755894 168382379 /nfs/dbraw/zinc/38/23/79/168382379.db2.gz ZYAGKTWAIVKKDK-SSDOTTSWSA-N 0 0 186.205 1.997 10 0 ADAERN C[C@@H](NNC(N)=S)c1ccccc1 71331437 168382666 /nfs/dbraw/zinc/38/26/66/168382666.db2.gz HEALWZXJXQFSGE-SSDOTTSWSA-N 0 0 195.291 1.085 10 0 ADAERN C[C@@H](NCc1ncc[nH]1)c1ccco1 49714850 168382746 /nfs/dbraw/zinc/38/27/46/168382746.db2.gz QZDYDXPGIHKTOE-MRVPVSSYSA-N 0 0 191.234 1.854 10 0 ADAERN C[C@@H](NN)c1ccc2c(c1)CCCO2 82530613 168382813 /nfs/dbraw/zinc/38/28/13/168382813.db2.gz YIZOUQAAWHILQI-MRVPVSSYSA-N 0 0 192.262 1.536 10 0 ADAERN C[C@@H](NN)c1c[nH]c2ccccc12 82534056 168382876 /nfs/dbraw/zinc/38/28/76/168382876.db2.gz ZKBXJPQAHWMITN-SSDOTTSWSA-N 0 0 175.235 1.692 10 0 ADAERN C[C@@H](NCc1nc[nH]n1)c1ccco1 37919307 168382900 /nfs/dbraw/zinc/38/29/00/168382900.db2.gz DTQWGJCDCNUMEQ-SSDOTTSWSA-N 0 0 192.222 1.249 10 0 ADAERN C[C@@H](NN)c1ccsc1 50345141 168383051 /nfs/dbraw/zinc/38/30/51/168383051.db2.gz QZKQQAWMDGCBQY-RXMQYKEDSA-N 0 0 142.227 1.272 10 0 ADAERN C[C@@H](NN)c1cn(C)c2ccccc12 82530253 168383236 /nfs/dbraw/zinc/38/32/36/168383236.db2.gz KDGVQJQCMMGCIM-MRVPVSSYSA-N 0 0 189.262 1.703 10 0 ADAERN C[C@@H](N[C@@H]1CCCOC1)C(C)(F)F 307088530 168383646 /nfs/dbraw/zinc/38/36/46/168383646.db2.gz TUPPJIBRLZZXND-HTQZYQBOSA-N 0 0 193.237 1.799 10 0 ADAERN C[C@@H](NN)c1c(F)cccc1F 19404457 168383666 /nfs/dbraw/zinc/38/36/66/168383666.db2.gz RQBKZFTZNMGDEA-RXMQYKEDSA-N 0 0 172.178 1.489 10 0 ADAERN C[C@@H](NN)[C@@H](C)Nc1ccccc1 75569614 168383701 /nfs/dbraw/zinc/38/37/01/168383701.db2.gz FSYFXMFUHRXUAG-RKDXNWHRSA-N 0 0 179.267 1.339 10 0 ADAERN C[C@@H](NN(C)C)c1nccs1 22862154 168383707 /nfs/dbraw/zinc/38/37/07/168383707.db2.gz JEXSOVJLUBOHEA-ZCFIWIBFSA-N 0 0 171.269 1.270 10 0 ADAERN C[C@@H](NCc1ccco1)c1cc[nH]n1 37906290 168383786 /nfs/dbraw/zinc/38/37/86/168383786.db2.gz KTOZLHVVJXLLPD-MRVPVSSYSA-N 0 0 191.234 1.854 10 0 ADAERN C[C@@H](NCc1c[nH]cn1)c1ccco1 54764080 168383827 /nfs/dbraw/zinc/38/38/27/168383827.db2.gz OKBVBALTRIGFRK-MRVPVSSYSA-N 0 0 191.234 1.854 10 0 ADAERN C[C@@H](NO)c1ccccn1 8700250 168383926 /nfs/dbraw/zinc/38/39/26/168383926.db2.gz PRVMDFCARKTSAK-ZCFIWIBFSA-N 0 0 138.170 1.121 10 0 ADAERN C[C@@H](N[C@@H]1CCCOC1)C(F)(F)F 306484088 168383936 /nfs/dbraw/zinc/38/39/36/168383936.db2.gz NBJLIOKEJKMVAT-RNFRBKRXSA-N 0 0 197.200 1.706 10 0 ADAERN C[C@@H](NN)[C@H](C)c1ccccc1 19167992 168383942 /nfs/dbraw/zinc/38/39/42/168383942.db2.gz BLDGYEZXOBPPJX-DTWKUNHWSA-N 0 0 164.252 1.642 10 0 ADAERN C[C@@H](NO)c1ccc2c(c1)OCCO2 19728802 168384010 /nfs/dbraw/zinc/38/40/10/168384010.db2.gz FHOAPUNRMUZMNL-SSDOTTSWSA-N 0 0 195.218 1.498 10 0 ADAERN C[C@@H](NO)c1cccc(N)c1 6733582 168384134 /nfs/dbraw/zinc/38/41/34/168384134.db2.gz KKVBWBQMJACEOX-ZCFIWIBFSA-N 0 0 152.197 1.309 10 0 ADAERN C[C@@H](NCc1cn[nH]c1)c1ccco1 38005814 168384195 /nfs/dbraw/zinc/38/41/95/168384195.db2.gz NDAORPYXOXUSPP-MRVPVSSYSA-N 0 0 191.234 1.854 10 0 ADAERN C[C@@H](NO)c1ccn(C)c1 8700244 168384454 /nfs/dbraw/zinc/38/44/54/168384454.db2.gz UQJWPWSXJHVOCV-ZCFIWIBFSA-N 0 0 140.186 1.065 10 0 ADAERN C[C@@H](NO)c1ccncc1 8700242 168384522 /nfs/dbraw/zinc/38/45/22/168384522.db2.gz GNBLLVODPPXGNT-ZCFIWIBFSA-N 0 0 138.170 1.121 10 0 ADAERN C[C@@H](NN)c1ccc2c(c1)CCO2 104557687 168384616 /nfs/dbraw/zinc/38/46/16/168384616.db2.gz WAJMWJQFAMFTJG-SSDOTTSWSA-N 0 0 178.235 1.146 10 0 ADAERN C[C@@H](NO)c1cccn1C 8700246 168384619 /nfs/dbraw/zinc/38/46/19/168384619.db2.gz FBMOYDZWGKXXBV-ZCFIWIBFSA-N 0 0 140.186 1.065 10 0 ADAERN C[C@@H](Nc1cccnn1)[C@@H]1CCCO1 52816045 168384905 /nfs/dbraw/zinc/38/49/05/168384905.db2.gz BIIQTIZUXHFLNM-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](Nc1cccnn1)C1CC1 52816041 168384975 /nfs/dbraw/zinc/38/49/75/168384975.db2.gz GRHOIDFXHQAWJB-SSDOTTSWSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)c1cc[nH]n1 37907130 168385011 /nfs/dbraw/zinc/38/50/11/168385011.db2.gz PPGQYHMTHBYORY-ZCFIWIBFSA-N 0 0 177.211 1.306 10 0 ADAERN C[C@@H](Nc1ncccc1N)C1CC1 35733457 168385020 /nfs/dbraw/zinc/38/50/20/168385020.db2.gz GDIHSSUTUPKFME-SSDOTTSWSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H](Nc1cnccn1)[C@@H]1CCCO1 35238249 168385037 /nfs/dbraw/zinc/38/50/37/168385037.db2.gz DYXMWMVHBNDFLC-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](N[C@H]1CCCOC1)C(C)(F)F 307088532 168385094 /nfs/dbraw/zinc/38/50/94/168385094.db2.gz TUPPJIBRLZZXND-SFYZADRCSA-N 0 0 193.237 1.799 10 0 ADAERN C[C@@H](Nc1ccncn1)C1CC1 40863108 168385368 /nfs/dbraw/zinc/38/53/68/168385368.db2.gz SKRBZLLVPFOJKQ-SSDOTTSWSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)C1CC1 35763920 168385371 /nfs/dbraw/zinc/38/53/71/168385371.db2.gz IWQWOZNDKQLCLM-ZCFIWIBFSA-N 0 0 151.213 1.620 10 0 ADAERN C[C@@H](Nc1ccc(Cl)cn1)C(N)=O 35795789 168385434 /nfs/dbraw/zinc/38/54/34/168385434.db2.gz VRWFIJYXCCWDLY-RXMQYKEDSA-N 0 0 199.641 1.021 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)c1cc[nH]n1 37908302 168385464 /nfs/dbraw/zinc/38/54/64/168385464.db2.gz GRDUXQQNAINSDI-SSDOTTSWSA-N 0 0 191.238 1.316 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)c1cccnc1 35763941 168385501 /nfs/dbraw/zinc/38/55/01/168385501.db2.gz ONVKEKXKQXXWMF-MRVPVSSYSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@@H](Nc1ccc(=O)n(C)c1)C1CC1 37785224 168385504 /nfs/dbraw/zinc/38/55/04/168385504.db2.gz GIIPJRRXGBPVGF-MRVPVSSYSA-N 0 0 192.262 1.596 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)C1CC1 37471903 168385519 /nfs/dbraw/zinc/38/55/19/168385519.db2.gz QVGAWIKPTDWQLN-SSDOTTSWSA-N 0 0 165.240 1.631 10 0 ADAERN C[C@@H](Nc1cccnn1)[C@H]1CCCO1 52816049 168385522 /nfs/dbraw/zinc/38/55/22/168385522.db2.gz BIIQTIZUXHFLNM-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](Nc1ccncn1)[C@@H]1CCCO1 40863112 168385552 /nfs/dbraw/zinc/38/55/52/168385552.db2.gz IQMPMJTXKHZWOG-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](Nc1cnccn1)[C@H]1CCCO1 35238253 168385611 /nfs/dbraw/zinc/38/56/11/168385611.db2.gz DYXMWMVHBNDFLC-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](Nc1ccc(N)cn1)C1CC1 35733465 168385640 /nfs/dbraw/zinc/38/56/40/168385640.db2.gz NXROCDKNILRSPF-SSDOTTSWSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]([NH2+][C@H](C)c1ccco1)C(=O)[O-] 49353556 168385730 /nfs/dbraw/zinc/38/57/30/168385730.db2.gz IHYSTIJUYWAUEG-RNFRBKRXSA-N 0 0 183.207 1.403 10 0 ADAERN C[C@@H](Nc1ccccc1F)C(N)=O 20300989 168385744 /nfs/dbraw/zinc/38/57/44/168385744.db2.gz XZYGMYNSZQQBDC-ZCFIWIBFSA-N 0 0 182.198 1.111 10 0 ADAERN C[C@@H](N[C@H]1CCCOC1)C(F)(F)F 306428648 168385969 /nfs/dbraw/zinc/38/59/69/168385969.db2.gz NBJLIOKEJKMVAT-RQJHMYQMSA-N 0 0 197.200 1.706 10 0 ADAERN C[C@@H]([NH2+][C@H](C)c1ccsc1)C(=O)[O-] 50344676 168386000 /nfs/dbraw/zinc/38/60/00/168386000.db2.gz IRCDSBPSPXQRFX-RNFRBKRXSA-N 0 0 199.275 1.872 10 0 ADAERN C[C@@H]([NH2+][C@H](C)c1ccncc1)C(=O)[O-] 49353369 168386004 /nfs/dbraw/zinc/38/60/04/168386004.db2.gz ZLWUFKBRSWNVGX-HTQZYQBOSA-N 0 0 194.234 1.205 10 0 ADAERN C[C@@H](Nc1ccc(N)nc1)C1CC1 35733447 168386078 /nfs/dbraw/zinc/38/60/78/168386078.db2.gz YPIXNJMAANQBHH-SSDOTTSWSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H](Nc1cccc(Cl)c1)C(N)=O 20307648 168386131 /nfs/dbraw/zinc/38/61/31/168386131.db2.gz IBCBNLBPCUHVQF-ZCFIWIBFSA-N 0 0 198.653 1.626 10 0 ADAERN C[C@@H](Nc1ncc(N)cn1)C1CC1 40455686 168386144 /nfs/dbraw/zinc/38/61/44/168386144.db2.gz OTCVXDKKXRGGBL-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H](Nc1cccc(F)c1)C(N)=O 20307665 168386166 /nfs/dbraw/zinc/38/61/66/168386166.db2.gz MHTWDLASDJWROL-ZCFIWIBFSA-N 0 0 182.198 1.111 10 0 ADAERN C[C@@H](Nc1ncccc1Cl)C(N)=O 35149226 168386263 /nfs/dbraw/zinc/38/62/63/168386263.db2.gz WBRKERKBLQVHPN-RXMQYKEDSA-N 0 0 199.641 1.021 10 0 ADAERN C[C@@H](Nc1cnn(C)c1)c1cc[nH]n1 37907124 168386267 /nfs/dbraw/zinc/38/62/67/168386267.db2.gz SYSSSMKQRXTKDT-SSDOTTSWSA-N 0 0 191.238 1.316 10 0 ADAERN C[C@@H](Nc1ccccc1Cl)C(N)=O 20300809 168386349 /nfs/dbraw/zinc/38/63/49/168386349.db2.gz WLCSJKRXXBNNLB-ZCFIWIBFSA-N 0 0 198.653 1.626 10 0 ADAERN C[C@@H](Nc1ccncn1)[C@H]1CCCO1 40863116 168386375 /nfs/dbraw/zinc/38/63/75/168386375.db2.gz IQMPMJTXKHZWOG-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](Nc1ccccc1)C(=O)N(C)C 58341143 168386400 /nfs/dbraw/zinc/38/64/00/168386400.db2.gz VFZPIFLLROZMDL-SECBINFHSA-N 0 0 192.262 1.575 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)c1ccccn1 35763945 168386453 /nfs/dbraw/zinc/38/64/53/168386453.db2.gz SWUPIEZYBCJQAO-MRVPVSSYSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)c1ccncc1 35763943 168386487 /nfs/dbraw/zinc/38/64/87/168386487.db2.gz AYGXAFHAEWLCKL-MRVPVSSYSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@@H](Nc1cccnc1)c1cc[nH]n1 37906334 168386522 /nfs/dbraw/zinc/38/65/22/168386522.db2.gz NRPOUOSTLQHWKU-MRVPVSSYSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)c1cnn(C)c1 44495947 168386573 /nfs/dbraw/zinc/38/65/73/168386573.db2.gz FLMWAGQQTCNOPI-SSDOTTSWSA-N 0 0 191.238 1.316 10 0 ADAERN C[C@@H](O)C(C)(C)NC(=O)C1=CCCC1 335978266 168386742 /nfs/dbraw/zinc/38/67/42/168386742.db2.gz KDILHXYNKGAQRH-MRVPVSSYSA-N 0 0 197.278 1.372 10 0 ADAERN C[C@@H](O)C(C)(C)NC(=O)C1CCCC1 161329364 168386812 /nfs/dbraw/zinc/38/68/12/168386812.db2.gz VSPHTTJQFOIZPC-MRVPVSSYSA-N 0 0 199.294 1.452 10 0 ADAERN C[C@@H](O)C(=O)c1ccc(F)cc1F 33961606 168386882 /nfs/dbraw/zinc/38/68/82/168386882.db2.gz REHMWFXPLWURSF-RXMQYKEDSA-N 0 0 186.157 1.528 10 0 ADAERN C[C@@H](O)C(=O)N1CCC[C@H](C2CC2)C1 336109662 168386891 /nfs/dbraw/zinc/38/68/91/168386891.db2.gz GENMFLVUABXSLQ-SCZZXKLOSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@@H](O)C(C)(C)NC(=O)c1ccoc1 161337598 168386903 /nfs/dbraw/zinc/38/69/03/168386903.db2.gz GKPWEXFXYZEVSE-SSDOTTSWSA-N 0 0 197.234 1.169 10 0 ADAERN C[C@@H](O)C(=O)N[C@H](C)C1CCCC1 307328646 168386917 /nfs/dbraw/zinc/38/69/17/168386917.db2.gz WAMASLURVIVNCO-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@@H](O)C(=O)NC12CCC(CC1)CC2 334742434 168386921 /nfs/dbraw/zinc/38/69/21/168386921.db2.gz YHDFLGAVXYLNEW-FKTRJACZSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@@H](O)/C=C/c1ccco1 38233884 168386986 /nfs/dbraw/zinc/38/69/86/168386986.db2.gz YAOCGHWLTAALFS-SMMXGFFBSA-N 0 0 138.166 1.674 10 0 ADAERN C[C@@H](O)C(=O)N[C@H]1CC2CCC1CC2 335965506 168386994 /nfs/dbraw/zinc/38/69/94/168386994.db2.gz PNISOLVEUQRNAW-WOOKNIGNSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@@H](O)C(=O)N(C)C[C@H]1CC=CCC1 335200377 168387054 /nfs/dbraw/zinc/38/70/54/168387054.db2.gz XCCBASXTLNXKBH-ZJUUUORDSA-N 0 0 197.278 1.182 10 0 ADAERN C[C@@H](O)C(=O)NC1(C2CCC2)CCC1 334499217 168387220 /nfs/dbraw/zinc/38/72/20/168387220.db2.gz PGDAZUFABNMXKC-MRVPVSSYSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@@H](O)/C=C/c1cccnc1 492996 168387231 /nfs/dbraw/zinc/38/72/31/168387231.db2.gz UFKIEVRTMVECLD-WTSVBCDHSA-N 0 0 149.193 1.476 10 0 ADAERN C[C@@H](O)C(=O)NC(C)(C)C1CCC1 334736083 168387295 /nfs/dbraw/zinc/38/72/95/168387295.db2.gz HEQFCELQPOQXHD-SSDOTTSWSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@@H](O)C(=O)N1CC2(CCC2)C[C@H]1C 334491934 168387362 /nfs/dbraw/zinc/38/73/62/168387362.db2.gz BLBDHLGETXEHAE-RKDXNWHRSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@@H](O)C(=O)c1ccc(Cl)cc1 13534435 168387394 /nfs/dbraw/zinc/38/73/94/168387394.db2.gz MRBCYWADGWRLRL-ZCFIWIBFSA-N 0 0 184.622 1.904 10 0 ADAERN C[C@@H](O)C(=O)NC1CC(C(C)(C)C)C1 334293027 168387528 /nfs/dbraw/zinc/38/75/28/168387528.db2.gz OZZOHNQGVVDYFL-AFPNSQJFSA-N 0 0 199.294 1.308 10 0 ADAERN C[C@@H](O)C(=O)N1CC(C)(C)C[C@H]1C 335266222 168387553 /nfs/dbraw/zinc/38/75/53/168387553.db2.gz WBOYOHLCVMKMCJ-HTQZYQBOSA-N 0 0 185.267 1.014 10 0 ADAERN C[C@@H](O)C(=O)N[C@@H]1CC2CCC1CC2 335965505 168387562 /nfs/dbraw/zinc/38/75/62/168387562.db2.gz PNISOLVEUQRNAW-SEZDTBSWSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@@H](O)C(=O)N(C)C1(C)CCCC1 307435882 168387584 /nfs/dbraw/zinc/38/75/84/168387584.db2.gz SKHRGBSBXNTUGG-MRVPVSSYSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@@H](Nc1ncccn1)[C@H]1CCCO1 35216706 168387620 /nfs/dbraw/zinc/38/76/20/168387620.db2.gz CJHJQGFZRFKKNL-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](O)C(=O)N1CCCCC[C@H]1C 306333630 168387668 /nfs/dbraw/zinc/38/76/68/168387668.db2.gz REBQPMOVUPIOBI-RKDXNWHRSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@@H](O)/C=C\c1ccncc1 33296159 168387785 /nfs/dbraw/zinc/38/77/85/168387785.db2.gz PTUMRDMEAMXLMC-YAJNLLPGSA-N 0 0 149.193 1.476 10 0 ADAERN C[C@@H](O)C(C)(C)NCC(F)F 17546997 168387833 /nfs/dbraw/zinc/38/78/33/168387833.db2.gz XAPUUAVTUUFUOM-RXMQYKEDSA-N 0 0 167.199 1.001 10 0 ADAERN C[C@@H](O)C(=O)NCC1CCCCCC1 336285553 168387837 /nfs/dbraw/zinc/38/78/37/168387837.db2.gz MDYIXEQJYRMLKB-SECBINFHSA-N 0 0 199.294 1.454 10 0 ADAERN C[C@@H](O)C(=O)N(C)C[C@@H]1CC=CCC1 335200374 168387843 /nfs/dbraw/zinc/38/78/43/168387843.db2.gz XCCBASXTLNXKBH-NXEZZACHSA-N 0 0 197.278 1.182 10 0 ADAERN C[C@@H](O)/C=C/c1ccc2c(c1)OCO2 2002208 168387849 /nfs/dbraw/zinc/38/78/49/168387849.db2.gz BFKJEEFQRZRWBY-UFUPEUMYSA-N 0 0 192.214 1.809 10 0 ADAERN C[C@@H](O)C(=O)NC1CCC2(CC1)CC2 336142595 168387869 /nfs/dbraw/zinc/38/78/69/168387869.db2.gz ZIZNYMVMECVSQB-MRVPVSSYSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@@H](O)C(C)(C)NC(=O)C1CC=CC1 161345713 168387881 /nfs/dbraw/zinc/38/78/81/168387881.db2.gz YFGBMSJUQLBSTP-MRVPVSSYSA-N 0 0 197.278 1.228 10 0 ADAERN C[C@@H](O)C(=O)c1ccc(F)c(F)c1 50161281 168387900 /nfs/dbraw/zinc/38/79/00/168387900.db2.gz IZVVLUSOFWGLKN-RXMQYKEDSA-N 0 0 186.157 1.528 10 0 ADAERN C[C@@H](O)C(=O)N1CCC[C@@H](C2CC2)C1 336109661 168388244 /nfs/dbraw/zinc/38/82/44/168388244.db2.gz GENMFLVUABXSLQ-PSASIEDQSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@@H](Nc1ncccn1)[C@@H]1CCCO1 35216702 168388279 /nfs/dbraw/zinc/38/82/79/168388279.db2.gz CJHJQGFZRFKKNL-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](O)C(C)(C)NC(=O)c1ccco1 161336842 168388330 /nfs/dbraw/zinc/38/83/30/168388330.db2.gz XAEYFJRQQXGPTL-SSDOTTSWSA-N 0 0 197.234 1.169 10 0 ADAERN C[C@@H](O)CCCC1(C)OCCO1 82399354 168388504 /nfs/dbraw/zinc/38/85/04/168388504.db2.gz CLPCKHBNNQWIHH-MRVPVSSYSA-N 0 0 174.240 1.301 10 0 ADAERN C[C@@H](O)CCCCCC1OCCO1 95704596 168388512 /nfs/dbraw/zinc/38/85/12/168388512.db2.gz ZXEXYEXEJVFAID-SECBINFHSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@@H](O)CCCC(C)(C)O 34223807 168388529 /nfs/dbraw/zinc/38/85/29/168388529.db2.gz IOMHEFJNPZANMF-SSDOTTSWSA-N 0 0 146.230 1.308 10 0 ADAERN C[C@@H](O)CCCOC1CCOCC1 45622305 168388605 /nfs/dbraw/zinc/38/86/05/168388605.db2.gz MNXSKZYXRQWISV-SECBINFHSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H](O)CCCCn1cccn1 45620835 168388607 /nfs/dbraw/zinc/38/86/07/168388607.db2.gz YYUSGLVGGVAZFS-SECBINFHSA-N 0 0 168.240 1.434 10 0 ADAERN C[C@@H](O)CCCCN1CCCC1=O 45620792 168388758 /nfs/dbraw/zinc/38/87/58/168388758.db2.gz LIDGIBZNBLATJE-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN C[C@@H](O)CCCOCC1CC1 45622111 168388773 /nfs/dbraw/zinc/38/87/73/168388773.db2.gz CBFFKYFOBGUXNA-MRVPVSSYSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@H](O)CCCCn1ccccc1=O 45620825 168388785 /nfs/dbraw/zinc/38/87/85/168388785.db2.gz PXIMKGVQFCHWQK-SNVBAGLBSA-N 0 0 195.262 1.399 10 0 ADAERN C[C@@H](O)CCOC[C@@H]1CCCCO1 44220877 168388788 /nfs/dbraw/zinc/38/87/88/168388788.db2.gz PKMKHPCAFGDWAU-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H](O)C1=CCCC1 39236710 168388838 /nfs/dbraw/zinc/38/88/38/168388838.db2.gz XORAIJGNJZFKRJ-ZCFIWIBFSA-N 0 0 112.172 1.478 10 0 ADAERN C[C@@H](O)CCCOCc1ccncc1 207024400 168388843 /nfs/dbraw/zinc/38/88/43/168388843.db2.gz KVLVFQFZPKHBIF-SNVBAGLBSA-N 0 0 195.262 1.759 10 0 ADAERN C[C@@H](O)CCC1(O)CCCCC1 39241883 168388870 /nfs/dbraw/zinc/38/88/70/168388870.db2.gz FAHULLJTSZTFFR-SECBINFHSA-N 0 0 172.268 1.843 10 0 ADAERN C[C@@H](O)CCCN1CCCCCC1=O 45620947 168388929 /nfs/dbraw/zinc/38/89/29/168388929.db2.gz QGNZPZVVEDGMGE-SNVBAGLBSA-N 0 0 199.294 1.550 10 0 ADAERN C[C@@H](O)CCCOCC(F)(F)F 44469679 168389075 /nfs/dbraw/zinc/38/90/75/168389075.db2.gz IDTAISJCNXMYTE-ZCFIWIBFSA-N 0 0 186.173 1.726 10 0 ADAERN C[C@@H](O)CCCCN1CCCCC1=O 45621019 168389090 /nfs/dbraw/zinc/38/90/90/168389090.db2.gz FBWRBLMTOCSSLU-SNVBAGLBSA-N 0 0 199.294 1.550 10 0 ADAERN C[C@@H](O)CC1CCC(O)CC1 39060120 168389102 /nfs/dbraw/zinc/38/91/02/168389102.db2.gz IJIFCRNAFSHYJH-AFPNSQJFSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@@H](O)C1(C)CC1 35598586 168389119 /nfs/dbraw/zinc/38/91/19/168389119.db2.gz DMQPCUMOKHCHSB-RXMQYKEDSA-N 0 0 100.161 1.167 10 0 ADAERN C[C@@H](O)CCC1CCOCC1 52175108 168389199 /nfs/dbraw/zinc/38/91/99/168389199.db2.gz QFOMESDCMIXYRJ-MRVPVSSYSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@H](O)CCCc1cccc(=O)o1 34744321 168389205 /nfs/dbraw/zinc/38/92/05/168389205.db2.gz CVNFBGPWRFXIDP-MRVPVSSYSA-N 0 0 182.219 1.343 10 0 ADAERN C[C@@H](O)CCCN(C)CC(F)(F)F 45619910 168389254 /nfs/dbraw/zinc/38/92/54/168389254.db2.gz HXHLNPOYQFNPTQ-SSDOTTSWSA-N 0 0 199.216 1.642 10 0 ADAERN C[C@@H](O)C/C=C/c1cccnc1 90764035 168389292 /nfs/dbraw/zinc/38/92/92/168389292.db2.gz CTDCTCRYABYUIF-OSOUNJMWSA-N 0 0 163.220 1.866 10 0 ADAERN C[C@@H](O)CCCn1ccccc1=O 45620830 168389315 /nfs/dbraw/zinc/38/93/15/168389315.db2.gz QZSBWBNKNSDSQY-SECBINFHSA-N 0 0 181.235 1.009 10 0 ADAERN C[C@@H](O)CCC(=O)c1cccnc1 6036247 168389323 /nfs/dbraw/zinc/38/93/23/168389323.db2.gz QVDOFFDCENUOAV-MRVPVSSYSA-N 0 0 179.219 1.425 10 0 ADAERN C[C@@H](O)CCCCn1ccnc1 45620711 168389417 /nfs/dbraw/zinc/38/94/17/168389417.db2.gz FSILBSSBCIFGJY-SECBINFHSA-N 0 0 168.240 1.434 10 0 ADAERN C[C@@H](O)CCCn1cccn1 45620841 168389429 /nfs/dbraw/zinc/38/94/29/168389429.db2.gz TXSCXVWZKASMCC-MRVPVSSYSA-N 0 0 154.213 1.044 10 0 ADAERN C[C@@H](O)CCCOC[C@@H]1CCCO1 45621721 168389451 /nfs/dbraw/zinc/38/94/51/168389451.db2.gz TWYXZHVIFLECSX-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H](O)CCCCCCO 71602893 168389468 /nfs/dbraw/zinc/38/94/68/168389468.db2.gz QUADBKCRXGFGAX-MRVPVSSYSA-N 0 0 146.230 1.310 10 0 ADAERN C[C@@H](O)CCOCC1CC1 44231669 168389508 /nfs/dbraw/zinc/38/95/08/168389508.db2.gz BIVXDYSLMSYCLA-SSDOTTSWSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@@H](O)CCCCC1(C)OCCO1 95704661 168389510 /nfs/dbraw/zinc/38/95/10/168389510.db2.gz GTTJAEIEPVIZND-SECBINFHSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@@H](O)CCOCC(F)(F)F 44192012 168389550 /nfs/dbraw/zinc/38/95/50/168389550.db2.gz JQCWQUPAVLCGRE-RXMQYKEDSA-N 0 0 172.146 1.336 10 0 ADAERN C[C@@H](O)CCN1CCc2ccccc21 44113615 168389590 /nfs/dbraw/zinc/38/95/90/168389590.db2.gz HCMUDCCVJZJLBK-SNVBAGLBSA-N 0 0 191.274 1.820 10 0 ADAERN C[C@@H](O)CC/C=C1/CCCO1 104846767 168389626 /nfs/dbraw/zinc/38/96/26/168389626.db2.gz HZWZQYYROPELRW-CPJBWDMUSA-N 0 0 156.225 1.842 10 0 ADAERN C[C@@H](O)C1=CC=CC1 2047068 168389677 /nfs/dbraw/zinc/38/96/77/168389677.db2.gz CRSMZKGXNQAQSL-ZCFIWIBFSA-N 0 0 110.156 1.254 10 0 ADAERN C[C@@H](O)CC1CCC1 83840570 168389726 /nfs/dbraw/zinc/38/97/26/168389726.db2.gz PVMGDPQPPYXCBM-ZCFIWIBFSA-N 0 0 114.188 1.557 10 0 ADAERN C[C@@H](O)CC(=O)c1cccnc1 6036126 168389737 /nfs/dbraw/zinc/38/97/37/168389737.db2.gz CDRFMXKQBOUMKP-SSDOTTSWSA-N 0 0 165.192 1.035 10 0 ADAERN C[C@@H](O)CCOC1CCCC1 44191308 168389738 /nfs/dbraw/zinc/38/97/38/168389738.db2.gz ANJPMNABLQANPY-MRVPVSSYSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@@H](O)C1CCSCC1 96861970 168389769 /nfs/dbraw/zinc/38/97/69/168389769.db2.gz WYRRCGWBEAWLGO-ZCFIWIBFSA-N 0 0 146.255 1.510 10 0 ADAERN C[C@@H](O)CCOCC1CCOCC1 52156741 168389781 /nfs/dbraw/zinc/38/97/81/168389781.db2.gz GLGXIYSOPDHRJO-SECBINFHSA-N 0 0 188.267 1.201 10 0 ADAERN C[C@@H](O)CCCOC[C@H]1CCOC1 45622321 168389855 /nfs/dbraw/zinc/38/98/55/168389855.db2.gz UUSJPEYRYOBGTR-NXEZZACHSA-N 0 0 188.267 1.201 10 0 ADAERN C[C@@H](O)CCCOC[C@H]1CCCO1 45621727 168389873 /nfs/dbraw/zinc/38/98/73/168389873.db2.gz TWYXZHVIFLECSX-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H](O)CCOc1ccccc1F 32007754 168390018 /nfs/dbraw/zinc/39/00/18/168390018.db2.gz DBMHMNNANCDOET-MRVPVSSYSA-N 0 0 184.210 1.975 10 0 ADAERN C[C@@H](O)CCCN1CCCCC1=O 45621024 168390049 /nfs/dbraw/zinc/39/00/49/168390049.db2.gz LJKBLAWQXPKWAR-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN C[C@@H](O)CCCOC[C@@H]1CCOC1 45622317 168390095 /nfs/dbraw/zinc/39/00/95/168390095.db2.gz UUSJPEYRYOBGTR-ZJUUUORDSA-N 0 0 188.267 1.201 10 0 ADAERN C[C@@H](O)CCN(C)c1ccccc1 44116785 168390097 /nfs/dbraw/zinc/39/00/97/168390097.db2.gz NBEFJLOFMCFDFK-SNVBAGLBSA-N 0 0 179.263 1.894 10 0 ADAERN C[C@@H](O)CCCOC(C)(C)C 45621999 168390133 /nfs/dbraw/zinc/39/01/33/168390133.db2.gz ARFWKRHSCZXRFQ-MRVPVSSYSA-N 0 0 160.257 1.963 10 0 ADAERN C[C@@H](O)CCC(=O)Nc1ccccc1 49807088 168390220 /nfs/dbraw/zinc/39/02/20/168390220.db2.gz DDPZTQQNCFLVSL-SECBINFHSA-N 0 0 193.246 1.786 10 0 ADAERN C[C@@H](O)CCOC[C@H]1CCCCO1 44220885 168390229 /nfs/dbraw/zinc/39/02/29/168390229.db2.gz PKMKHPCAFGDWAU-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H](O)CN(C)c1ccc(C=O)cc1 51821240 168390447 /nfs/dbraw/zinc/39/04/47/168390447.db2.gz SOGFWMBEFXFWKJ-SECBINFHSA-N 0 0 193.246 1.316 10 0 ADAERN C[C@@H](O)CN(C)c1cccc(N)c1 51819620 168390499 /nfs/dbraw/zinc/39/04/99/168390499.db2.gz NGTVBKJFAFZHDF-MRVPVSSYSA-N 0 0 180.251 1.086 10 0 ADAERN C[C@@H](O)CN(C)c1ccccc1C=O 51821236 168390570 /nfs/dbraw/zinc/39/05/70/168390570.db2.gz AZKPRDVDCRSPEW-SECBINFHSA-N 0 0 193.246 1.316 10 0 ADAERN C[C@@H](O)CN(C)c1cccc(F)c1 49805847 168390603 /nfs/dbraw/zinc/39/06/03/168390603.db2.gz MKAQQISBFQDHLK-MRVPVSSYSA-N 0 0 183.226 1.643 10 0 ADAERN C[C@@H](O)CCc1ccncc1 39147481 168390646 /nfs/dbraw/zinc/39/06/46/168390646.db2.gz CKTGPDVDHJWHDR-MRVPVSSYSA-N 0 0 151.209 1.395 10 0 ADAERN C[C@@H](O)CCn1cc(Cl)cn1 108290922 168390883 /nfs/dbraw/zinc/39/08/83/168390883.db2.gz BQSYBCSCIWHUOE-ZCFIWIBFSA-N 0 0 174.631 1.307 10 0 ADAERN C[C@@H](O)CCn1cnc2c1CCCC2 127381676 168390900 /nfs/dbraw/zinc/39/09/00/168390900.db2.gz SSQREULSWJDRRX-SECBINFHSA-N 0 0 194.278 1.533 10 0 ADAERN C[C@@H](O)CN(C)c1ccccc1N 51819556 168391114 /nfs/dbraw/zinc/39/11/14/168391114.db2.gz PNQDSAWAURTRNE-MRVPVSSYSA-N 0 0 180.251 1.086 10 0 ADAERN C[C@@H](O)CN1CCCCCCC1=O 44341980 168391151 /nfs/dbraw/zinc/39/11/51/168391151.db2.gz RVQJTUQVDLYWCL-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN C[C@@H](O)CC[C@H]1CCCCO1 38324856 168391484 /nfs/dbraw/zinc/39/14/84/168391484.db2.gz KSRAZMDZHSPGDC-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@@H](O)CN(C)c1ccc(F)cc1N 51819654 168391684 /nfs/dbraw/zinc/39/16/84/168391684.db2.gz POJWCWWAMPUVMQ-SSDOTTSWSA-N 0 0 198.241 1.225 10 0 ADAERN C[C@@H](O)CCn1ncc2ccccc21 50527781 168391696 /nfs/dbraw/zinc/39/16/96/168391696.db2.gz DRTVYQWJADGUIF-SECBINFHSA-N 0 0 190.246 1.807 10 0 ADAERN C[C@@H](O)CCn1nnc2ccccc21 306291730 168391759 /nfs/dbraw/zinc/39/17/59/168391759.db2.gz UAWPXBWUEAJNIK-MRVPVSSYSA-N 0 0 191.234 1.202 10 0 ADAERN C[C@@H](O)CN(C)c1cc(F)ccc1N 52122183 168391907 /nfs/dbraw/zinc/39/19/07/168391907.db2.gz PYKAKOUNAJWKFV-SSDOTTSWSA-N 0 0 198.241 1.225 10 0 ADAERN C[C@@H](O)CN(C)c1ccc(N)cc1F 51819672 168392386 /nfs/dbraw/zinc/39/23/86/168392386.db2.gz KBQCLVQHWXDIQO-SSDOTTSWSA-N 0 0 198.241 1.225 10 0 ADAERN C[C@@H](O)CN(C)c1cccc(F)c1N 51819840 168392420 /nfs/dbraw/zinc/39/24/20/168392420.db2.gz AKRQCNORVCZUFO-SSDOTTSWSA-N 0 0 198.241 1.225 10 0 ADAERN C[C@@H](O)CN(C)c1cc(N)cc(F)c1 51819844 168392500 /nfs/dbraw/zinc/39/25/00/168392500.db2.gz QPFPMFQATUEMIL-SSDOTTSWSA-N 0 0 198.241 1.225 10 0 ADAERN C[C@@H](O)CNc1ccccc1N(C)C 82710925 168395112 /nfs/dbraw/zinc/39/51/12/168395112.db2.gz SHAQSQHZSLQPIZ-SECBINFHSA-N 0 0 194.278 1.545 10 0 ADAERN C[C@@H](O)CSc1ccc(N)cn1 37688086 168395116 /nfs/dbraw/zinc/39/51/16/168395116.db2.gz MROJCGGQXHTMFF-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN C[C@@H](O)COCCOc1ccccc1 44218834 168395164 /nfs/dbraw/zinc/39/51/64/168395164.db2.gz KOXPPLCGBVLDFP-SNVBAGLBSA-N 0 0 196.246 1.463 10 0 ADAERN C[C@@H](O)COc1ccccc1O 34240066 168395200 /nfs/dbraw/zinc/39/52/00/168395200.db2.gz RBDNCOWPQKPSIE-SSDOTTSWSA-N 0 0 168.192 1.152 10 0 ADAERN C[C@@H](O)CSc1ncccc1N 37688084 168395274 /nfs/dbraw/zinc/39/52/74/168395274.db2.gz WEOVUDNJGZOXBQ-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN C[C@@H](O)CSc1ccc(N)nc1 37688088 168395298 /nfs/dbraw/zinc/39/52/98/168395298.db2.gz HSSLZVSAUKGQSE-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN C[C@@H](O)COC1CCCC1 44191344 168395309 /nfs/dbraw/zinc/39/53/09/168395309.db2.gz LREADFXFOJUVSS-SSDOTTSWSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H](O)COCC(F)(F)C(F)F 44190676 168395323 /nfs/dbraw/zinc/39/53/23/168395323.db2.gz FMVROEVTFCPWOZ-SCSAIBSYSA-N 0 0 190.136 1.284 10 0 ADAERN C[C@@H](O)CNc1cccc(N(C)C)c1 82710923 168395444 /nfs/dbraw/zinc/39/54/44/168395444.db2.gz DMCLEPLDXNRUEN-SECBINFHSA-N 0 0 194.278 1.545 10 0 ADAERN C[C@@H](O)CO[C@@H]1CCCC[C@H]1C 44217637 168395454 /nfs/dbraw/zinc/39/54/54/168395454.db2.gz RHMCTQLIDKMBED-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)CNc1cc(F)ccc1N 52120207 168395529 /nfs/dbraw/zinc/39/55/29/168395529.db2.gz FDQAWDDVSHOQGN-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](O)CO[C@H]1CCCC[C@H]1C 44217631 168395576 /nfs/dbraw/zinc/39/55/76/168395576.db2.gz RHMCTQLIDKMBED-BBBLOLIVSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)CNc1ccc(F)cc1F 37687808 168395610 /nfs/dbraw/zinc/39/56/10/168395610.db2.gz YCQUEWFQSYXKFJ-ZCFIWIBFSA-N 0 0 187.189 1.758 10 0 ADAERN C[C@@H](O)CNc1cc(F)cc(F)c1 37687818 168395629 /nfs/dbraw/zinc/39/56/29/168395629.db2.gz ZNTZFPOHVAZDBC-ZCFIWIBFSA-N 0 0 187.189 1.758 10 0 ADAERN C[C@@H](O)COc1cccc([C@@H](C)O)c1 37688154 168395706 /nfs/dbraw/zinc/39/57/06/168395706.db2.gz RTQUFDLEYGBOPP-RKDXNWHRSA-N 0 0 196.246 1.500 10 0 ADAERN C[C@@H](O)CSc1ncccc1O 75576938 168395722 /nfs/dbraw/zinc/39/57/22/168395722.db2.gz CBGSMAHBKKQGDJ-ZCFIWIBFSA-N 0 0 185.248 1.260 10 0 ADAERN C[C@@H](O)CNc1cccc(F)c1F 40230482 168395753 /nfs/dbraw/zinc/39/57/53/168395753.db2.gz XIMIOZCQLLTNHJ-ZCFIWIBFSA-N 0 0 187.189 1.758 10 0 ADAERN C[C@@H](O)CNc1cccc(N)c1 35600264 168395764 /nfs/dbraw/zinc/39/57/64/168395764.db2.gz CMPGZDPYJPHXQQ-SSDOTTSWSA-N 0 0 166.224 1.062 10 0 ADAERN C[C@@H](O)COc1ccccc1[C@@H](C)O 27983983 168395774 /nfs/dbraw/zinc/39/57/74/168395774.db2.gz JORRCOAZDNYPNS-RKDXNWHRSA-N 0 0 196.246 1.500 10 0 ADAERN C[C@@H](O)CSc1ncccc1F 334807449 168395779 /nfs/dbraw/zinc/39/57/79/168395779.db2.gz QPPVKCKVOQKXFV-ZCFIWIBFSA-N 0 0 187.239 1.694 10 0 ADAERN C[C@@H](O)CNc1cccc(F)c1N 37419632 168395810 /nfs/dbraw/zinc/39/58/10/168395810.db2.gz OGHHCIKDWRXZPE-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](O)CNc1ccccc1F 32006542 168395861 /nfs/dbraw/zinc/39/58/61/168395861.db2.gz HTNGZCRVUWGNNU-SSDOTTSWSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@@H](O)CNc1ccc(N)cc1F 35600268 168395906 /nfs/dbraw/zinc/39/59/06/168395906.db2.gz AADIXIWIFFEBHQ-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](O)CNc1ccc(N(C)C)cc1 37687918 168395956 /nfs/dbraw/zinc/39/59/56/168395956.db2.gz JRMWFZXEQILMKG-SECBINFHSA-N 0 0 194.278 1.545 10 0 ADAERN C[C@@H](O)C[C@@H](C)OC(C)(C)C 17408206 168395971 /nfs/dbraw/zinc/39/59/71/168395971.db2.gz WELRQTQVSYOPGS-HTQZYQBOSA-N 0 0 160.257 1.961 10 0 ADAERN C[C@@H](O)CNc1ccc2c(c1)OCO2 32009141 168396009 /nfs/dbraw/zinc/39/60/09/168396009.db2.gz AXVPPGIQOPZQSZ-SSDOTTSWSA-N 0 0 195.218 1.208 10 0 ADAERN C[C@@H](O)CSc1ccccc1N 34154256 168396032 /nfs/dbraw/zinc/39/60/32/168396032.db2.gz AYCWVEJQUQFLQD-SSDOTTSWSA-N 0 0 183.276 1.742 10 0 ADAERN C[C@@H](O)CSc1ccc(N)cc1 37688080 168396184 /nfs/dbraw/zinc/39/61/84/168396184.db2.gz OZDJMLZLOOTMDT-SSDOTTSWSA-N 0 0 183.276 1.742 10 0 ADAERN C[C@@H](O)CNc1ccc2[nH]ccc2c1 82710921 168396290 /nfs/dbraw/zinc/39/62/90/168396290.db2.gz ITKCYTJENALJLX-MRVPVSSYSA-N 0 0 190.246 1.961 10 0 ADAERN C[C@@H](O)COc1cccc(N)c1 38055347 168396319 /nfs/dbraw/zinc/39/63/19/168396319.db2.gz KVQWDESDQSPHET-SSDOTTSWSA-N 0 0 167.208 1.028 10 0 ADAERN C[C@@H](O)CNc1cc(N)cc(F)c1 37667979 168396385 /nfs/dbraw/zinc/39/63/85/168396385.db2.gz VGGPYMRVOAPKFK-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](O)COc1ccccc1N 38056106 168396402 /nfs/dbraw/zinc/39/64/02/168396402.db2.gz BKZSDZGUUANIRT-SSDOTTSWSA-N 0 0 167.208 1.028 10 0 ADAERN C[C@@H](O)CNc1ccccc1O 75555153 168396430 /nfs/dbraw/zinc/39/64/30/168396430.db2.gz JMJMJSAHHXWJOR-SSDOTTSWSA-N 0 0 167.208 1.185 10 0 ADAERN C[C@@H](O)CSc1ccncc1N 37688082 168396460 /nfs/dbraw/zinc/39/64/60/168396460.db2.gz ILLWGDXVQQHWFT-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN C[C@@H](O)CNc1ccc(F)cc1 32006546 168396461 /nfs/dbraw/zinc/39/64/61/168396461.db2.gz VJHLLZZGOCVEKU-SSDOTTSWSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@@H](O)CO[C@@H]1CCC[C@@H](C)C1 44230591 168396482 /nfs/dbraw/zinc/39/64/82/168396482.db2.gz UGRCKGWXTRUKSG-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)COCC1CCCCC1 52156348 168396534 /nfs/dbraw/zinc/39/65/34/168396534.db2.gz XTIKWGXGMAWYDK-SECBINFHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@@H](O)CNc1ccc(F)cc1N 35600274 168396535 /nfs/dbraw/zinc/39/65/35/168396535.db2.gz VGXUCSBGJSRCLI-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H](O)CO[C@H]1CCC[C@@H](C)C1 44230583 168396543 /nfs/dbraw/zinc/39/65/43/168396543.db2.gz UGRCKGWXTRUKSG-BBBLOLIVSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](O)CNc1cc(F)ccc1F 37687768 168396569 /nfs/dbraw/zinc/39/65/69/168396569.db2.gz WFJMDDKFYNUWGT-ZCFIWIBFSA-N 0 0 187.189 1.758 10 0 ADAERN C[C@@H](O)CNc1c(F)cccc1F 37687854 168396586 /nfs/dbraw/zinc/39/65/86/168396586.db2.gz HQTNLIHRUSGEJR-ZCFIWIBFSA-N 0 0 187.189 1.758 10 0 ADAERN C[C@@H](O)[C@@H](C)OCC1CCOCC1 52156763 168396775 /nfs/dbraw/zinc/39/67/75/168396775.db2.gz IENIGBVJMMATQD-RKDXNWHRSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@@H](O)Cc1c(N)ccc(F)c1F 75577479 168396781 /nfs/dbraw/zinc/39/67/81/168396781.db2.gz OBOLQJYKLGMUPW-RXMQYKEDSA-N 0 0 187.189 1.470 10 0 ADAERN C[C@@H](O)[C@@H](F)C(=O)c1ccccc1 39054996 168396806 /nfs/dbraw/zinc/39/68/06/168396806.db2.gz XXRIZNFDHBCXIN-VXNVDRBHSA-N 0 0 182.194 1.588 10 0 ADAERN C[C@@H](O)Cc1ccccc1O 75539409 168396819 /nfs/dbraw/zinc/39/68/19/168396819.db2.gz HQIVJIVEUGNTQM-SSDOTTSWSA-N 0 0 152.193 1.316 10 0 ADAERN C[C@@H](O)Cc1cc(F)ccc1F 43459474 168396840 /nfs/dbraw/zinc/39/68/40/168396840.db2.gz ASXTZRAHXMCZTN-ZCFIWIBFSA-N 0 0 172.174 1.888 10 0 ADAERN C[C@@H](O)Cc1cccc(C=O)c1 95704650 168396920 /nfs/dbraw/zinc/39/69/20/168396920.db2.gz BRGMJNVNYXSBNW-MRVPVSSYSA-N 0 0 164.204 1.422 10 0 ADAERN C[C@@H](O)Cc1ccccc1N(C)C 38337815 168396972 /nfs/dbraw/zinc/39/69/72/168396972.db2.gz UYKISKDAABTLAS-SECBINFHSA-N 0 0 179.263 1.676 10 0 ADAERN C[C@@H](O)Nc1ccco1 103282189 168396986 /nfs/dbraw/zinc/39/69/86/168396986.db2.gz XDPRLOWTVYRWDO-RXMQYKEDSA-N 0 0 127.143 1.030 10 0 ADAERN C[C@@H](O)[C@@H]1CC1(Cl)Cl 39088654 168396991 /nfs/dbraw/zinc/39/69/91/168396991.db2.gz ONDXFFVYSOSXNF-DMTCNVIQSA-N 0 0 155.024 1.561 10 0 ADAERN C[C@@H](O)Cc1ccc(O)cc1 14504791 168397004 /nfs/dbraw/zinc/39/70/04/168397004.db2.gz RODZBUUMGRIALV-SSDOTTSWSA-N 0 0 152.193 1.316 10 0 ADAERN C[C@@H](O)Cc1cccc(O)c1 84287385 168397059 /nfs/dbraw/zinc/39/70/59/168397059.db2.gz QBXLGKAGMWXECL-SSDOTTSWSA-N 0 0 152.193 1.316 10 0 ADAERN C[C@@H](O)Cc1occc1C=O 75540697 168397096 /nfs/dbraw/zinc/39/70/96/168397096.db2.gz GPYMKVSCBQZGFQ-ZCFIWIBFSA-N 0 0 154.165 1.015 10 0 ADAERN C[C@@H](O)[C@@H](C)OC[C@@H]1CCCCO1 44220973 168397114 /nfs/dbraw/zinc/39/71/14/168397114.db2.gz CERSSYICQRIETF-BBBLOLIVSA-N 0 0 188.267 1.341 10 0 ADAERN C[C@@H](O)Cc1ncccc1Cl 63037835 168397137 /nfs/dbraw/zinc/39/71/37/168397137.db2.gz SVXOWVFGAOFBBF-ZCFIWIBFSA-N 0 0 171.627 1.658 10 0 ADAERN C[C@@H](O)C[C@@H](O)c1ccccc1 21952156 168397142 /nfs/dbraw/zinc/39/71/42/168397142.db2.gz QTYZWFQTOYXFBL-PSASIEDQSA-N 0 0 166.220 1.491 10 0 ADAERN C[C@@H](O)[C@@H](O)c1ccccc1 2039193 168397148 /nfs/dbraw/zinc/39/71/48/168397148.db2.gz MZQZXSHFWDHNOW-VXNVDRBHSA-N 0 0 152.193 1.101 10 0 ADAERN C[C@@H](O)Nc1ccc(CF)cc1 22002165 168397216 /nfs/dbraw/zinc/39/72/16/168397216.db2.gz UYZBCKIODDRBLG-SSDOTTSWSA-N 0 0 169.199 1.906 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCC1=O 76575385 168397259 /nfs/dbraw/zinc/39/72/59/168397259.db2.gz CSWMSEDIIWLVMD-RQJHMYQMSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCCC1=O 59200398 168397362 /nfs/dbraw/zinc/39/73/62/168397362.db2.gz VMWTXOSUKXSJAW-SFYZADRCSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H](O)[C@@H]1C=Nc2ccccc2N1 39114022 168397438 /nfs/dbraw/zinc/39/74/38/168397438.db2.gz LBCNXPYRJHMXFX-XCBNKYQSSA-N 0 0 176.219 1.564 10 0 ADAERN C[C@@H](O)Cn1ncc2ccccc21 50526978 168397460 /nfs/dbraw/zinc/39/74/60/168397460.db2.gz VWIIMPQHUMCLTH-MRVPVSSYSA-N 0 0 176.219 1.417 10 0 ADAERN C[C@@H](O)Cc1ccc(O)cc1O 15113203 168397515 /nfs/dbraw/zinc/39/75/15/168397515.db2.gz HUHLMZVBJUIZJI-ZCFIWIBFSA-N 0 0 168.192 1.021 10 0 ADAERN C[C@@H](O)[C@@H](C)OCC1CC1 44231725 168397553 /nfs/dbraw/zinc/39/75/53/168397553.db2.gz FAXQJTZQEJONLO-RNFRBKRXSA-N 0 0 144.214 1.182 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1ccccc1 39318666 168397559 /nfs/dbraw/zinc/39/75/59/168397559.db2.gz MCZAUSRZWTZVDL-RKDXNWHRSA-N 0 0 166.220 1.835 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1)CCO2 84285671 168397674 /nfs/dbraw/zinc/39/76/74/168397674.db2.gz PAUQQZGWFWYOSF-MRVPVSSYSA-N 0 0 178.231 1.545 10 0 ADAERN C[C@@H](O)[C@@H](N)c1nc2ccccc2o1 20376050 168397752 /nfs/dbraw/zinc/39/77/52/168397752.db2.gz ADYVFCIDDNFXLE-HZGVNTEJSA-N 0 0 192.218 1.208 10 0 ADAERN CC[C@@H](O)C[C@@H](O)c1ccccc1 136002937 343972931 /nfs/dbraw/zinc/97/29/31/343972931.db2.gz BOIHAPODUXHNBA-GHMZBOCLSA-N 0 0 180.247 1.881 10 0 ADAERN C[C@@H](O)Nc1ccccc1 8489940 168397832 /nfs/dbraw/zinc/39/78/32/168397832.db2.gz ULZRKSDAMUWQEZ-SSDOTTSWSA-N 0 0 137.182 1.437 10 0 ADAERN C[C@@H](O)C[C@H](O)c1ccc(F)cc1 21951137 168397839 /nfs/dbraw/zinc/39/78/39/168397839.db2.gz ZIFUBUOCSFCIAJ-XCBNKYQSSA-N 0 0 184.210 1.630 10 0 ADAERN C[C@@H](O)C[C@H]1CCCCCC1=O 76598062 168397926 /nfs/dbraw/zinc/39/79/26/168397926.db2.gz RMLZIISIYXCIBB-RKDXNWHRSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H](O)[C@@H](C)n1ncc2ccccc21 50527810 168397948 /nfs/dbraw/zinc/39/79/48/168397948.db2.gz CBEZQNQLBPOJJE-RKDXNWHRSA-N 0 0 190.246 1.978 10 0 ADAERN C[C@@H](O)Cc1nc(C(C)(C)C)no1 82430293 168397951 /nfs/dbraw/zinc/39/79/51/168397951.db2.gz BDVSDKZGFXQASB-ZCFIWIBFSA-N 0 0 184.239 1.290 10 0 ADAERN C[C@@H](O)C[C@@H](O)c1ccc(F)cc1 21951133 168397963 /nfs/dbraw/zinc/39/79/63/168397963.db2.gz ZIFUBUOCSFCIAJ-GMSGAONNSA-N 0 0 184.210 1.630 10 0 ADAERN C[C@@H](O)[C@@H](C)n1cnc2ccccc21 44181476 168397996 /nfs/dbraw/zinc/39/79/96/168397996.db2.gz FRYTYNLHDGCGBD-RKDXNWHRSA-N 0 0 190.246 1.978 10 0 ADAERN C[C@@H](O)C[C@@H]1CCCCCC1=O 76598058 168398045 /nfs/dbraw/zinc/39/80/45/168398045.db2.gz RMLZIISIYXCIBB-BDAKNGLRSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H](O)N(C)C(=O)OC(C)(C)C 85486030 168398049 /nfs/dbraw/zinc/39/80/49/168398049.db2.gz LAADXNGDTNGGRK-ZCFIWIBFSA-N 0 0 175.228 1.192 10 0 ADAERN C[C@@H](O)[C@@H](C)N(C)CC(F)(F)F 44161482 168398082 /nfs/dbraw/zinc/39/80/82/168398082.db2.gz LPBHUVKJBIPBNR-PHDIDXHHSA-N 0 0 185.189 1.250 10 0 ADAERN C[C@@H](O)C[C@H]1CCCC1=O 76575392 168398117 /nfs/dbraw/zinc/39/81/17/168398117.db2.gz CSWMSEDIIWLVMD-RNFRBKRXSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H](O)[C@@H]1CC=CCC1 38611714 168398140 /nfs/dbraw/zinc/39/81/40/168398140.db2.gz ZBTVKVSHKXTLBJ-HTQZYQBOSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@@H](O)C[C@H](O)c1ccccc1 21952159 168398150 /nfs/dbraw/zinc/39/81/50/168398150.db2.gz QTYZWFQTOYXFBL-SCZZXKLOSA-N 0 0 166.220 1.491 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1cccc(F)c1 44213547 168398179 /nfs/dbraw/zinc/39/81/79/168398179.db2.gz ZULGXXCNVFLICS-HTQZYQBOSA-N 0 0 184.210 1.974 10 0 ADAERN C[C@@H](O)C[C@H]1CCCCC1=O 59200400 168398186 /nfs/dbraw/zinc/39/81/86/168398186.db2.gz VMWTXOSUKXSJAW-HTQZYQBOSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H](O)[C@@H](C)C(=O)OC(C)(C)C 34133889 168398188 /nfs/dbraw/zinc/39/81/88/168398188.db2.gz LAIIJUKPDBKJGO-RNFRBKRXSA-N 0 0 174.240 1.345 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1ccc(F)cc1 44212452 168398191 /nfs/dbraw/zinc/39/81/91/168398191.db2.gz ARZOIFAPWWLRKA-HTQZYQBOSA-N 0 0 184.210 1.974 10 0 ADAERN C[C@@H](O)[C@@H](C)OCC(F)(F)F 44192054 168398258 /nfs/dbraw/zinc/39/82/58/168398258.db2.gz XTZWUEVSUDFOGP-RFZPGFLSSA-N 0 0 172.146 1.335 10 0 ADAERN C[C@@H](O)[C@@H]1C(=O)CCCC1(C)C 39246871 168398259 /nfs/dbraw/zinc/39/82/59/168398259.db2.gz QPROXJYCBAWLGK-VXNVDRBHSA-N 0 0 170.252 1.763 10 0 ADAERN CC[C@@H](O)C[C@H](O)c1ccccc1 136002865 343972956 /nfs/dbraw/zinc/97/29/56/343972956.db2.gz BOIHAPODUXHNBA-MNOVXSKESA-N 0 0 180.247 1.881 10 0 ADAERN C[C@@H](O)[C@H]1CC=CCC1 38611712 168398464 /nfs/dbraw/zinc/39/84/64/168398464.db2.gz ZBTVKVSHKXTLBJ-SFYZADRCSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@@H](O)c1ccc(C=O)o1 39060729 168398485 /nfs/dbraw/zinc/39/84/85/168398485.db2.gz RUNHIRREMKKEPO-RXMQYKEDSA-N 0 0 140.138 1.145 10 0 ADAERN C[C@@H](O)[Si](C)(C)C 170155209 168398814 /nfs/dbraw/zinc/39/88/14/168398814.db2.gz ZLTWIJREHQCJJL-YFKPBYRVSA-N 0 0 118.252 1.245 10 0 ADAERN C[C@@H](O)[C@@]1(C)CCCCO1 34141749 168398822 /nfs/dbraw/zinc/39/88/22/168398822.db2.gz YWPPQKLSOINYMO-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H](O)[C@@H]1C[C@H]1C 39256145 168398858 /nfs/dbraw/zinc/39/88/58/168398858.db2.gz WLNGEWJRGOHNAA-HSUXUTPPSA-N 0 0 100.161 1.023 10 0 ADAERN C[C@@H](O)[C@H]1CC1(Cl)Cl 39088655 168398890 /nfs/dbraw/zinc/39/88/90/168398890.db2.gz ONDXFFVYSOSXNF-QWWZWVQMSA-N 0 0 155.024 1.561 10 0 ADAERN C[C@@H](O)[C@H]1C(=O)CCCC1(C)C 39246873 168398893 /nfs/dbraw/zinc/39/88/93/168398893.db2.gz QPROXJYCBAWLGK-APPZFPTMSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2ccccc2O1 34518956 168399058 /nfs/dbraw/zinc/39/90/58/168399058.db2.gz QHMJSLRJAHUWEE-XCBNKYQSSA-N 0 0 164.204 1.371 10 0 ADAERN C[C@@H](O)[C@H]1COc2ccccc2O1 4862866 168399069 /nfs/dbraw/zinc/39/90/69/168399069.db2.gz BWBUOEGIFALLRE-GMSGAONNSA-N 0 0 180.203 1.207 10 0 ADAERN C[C@@H](O)[C@H]1CCSC1 82836780 168399092 /nfs/dbraw/zinc/39/90/92/168399092.db2.gz VNKLREIDXLUAPO-RITPCOANSA-N 0 0 132.228 1.120 10 0 ADAERN C[C@@H](O)c1[nH]c(N)nc1C(F)(F)F 44137463 168399101 /nfs/dbraw/zinc/39/91/01/168399101.db2.gz YTARLTAYRCGLOA-UWTATZPHSA-N 0 0 195.144 1.064 10 0 ADAERN C[C@@H](O)[C@@H]1COc2ccccc2O1 506569 168399179 /nfs/dbraw/zinc/39/91/79/168399179.db2.gz BWBUOEGIFALLRE-XCBNKYQSSA-N 0 0 180.203 1.207 10 0 ADAERN C[C@@H](O)[C@H]1O[C@]2(C)CCC[C@H]1O2 36388052 168399244 /nfs/dbraw/zinc/39/92/44/168399244.db2.gz AMFJBCFUEJFUFK-FNCVBFRFSA-N 0 0 172.224 1.051 10 0 ADAERN C[C@@H](O)c1cc(C=O)co1 39060706 168399336 /nfs/dbraw/zinc/39/93/36/168399336.db2.gz MXVKJKUDJQNRRX-RXMQYKEDSA-N 0 0 140.138 1.145 10 0 ADAERN C[C@@H](O)c1cc(O)cc(O)c1 75540673 168399355 /nfs/dbraw/zinc/39/93/55/168399355.db2.gz CJIBYWACFWFBBW-RXMQYKEDSA-N 0 0 154.165 1.151 10 0 ADAERN C[C@@H](O)c1cc[nH]c1 39241055 168399383 /nfs/dbraw/zinc/39/93/83/168399383.db2.gz VNDNHMJJHYNTOV-RXMQYKEDSA-N 0 0 111.144 1.068 10 0 ADAERN C[C@@H](O)[C@H]1CCCSC1 96861974 168399406 /nfs/dbraw/zinc/39/94/06/168399406.db2.gz ZPSFYRMVPVRUNA-RQJHMYQMSA-N 0 0 146.255 1.510 10 0 ADAERN C[C@@H](O)[C@H]1C[C@H]1C 39256143 168399418 /nfs/dbraw/zinc/39/94/18/168399418.db2.gz WLNGEWJRGOHNAA-PBXRRBTRSA-N 0 0 100.161 1.023 10 0 ADAERN C[C@@H](O)[C@]1(C)CCCCO1 34141747 168399435 /nfs/dbraw/zinc/39/94/35/168399435.db2.gz YWPPQKLSOINYMO-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H](O)c1cc(C(F)(F)F)nn1C 75853226 168399534 /nfs/dbraw/zinc/39/95/34/168399534.db2.gz HHJRVCLDVOOQDU-SCSAIBSYSA-N 0 0 194.156 1.492 10 0 ADAERN C[C@@H](O)c1cc(O)ccc1O 21952514 168399537 /nfs/dbraw/zinc/39/95/37/168399537.db2.gz DXJSSTKBEDNPQB-RXMQYKEDSA-N 0 0 154.165 1.151 10 0 ADAERN C[C@@H](O)c1c[nH]c2ncccc12 39284580 168399613 /nfs/dbraw/zinc/39/96/13/168399613.db2.gz BKLPKEURLMGHMJ-ZCFIWIBFSA-N 0 0 162.192 1.616 10 0 ADAERN C[C@@H](O)c1cc2ccccc2[nH]c1=O 11727808 168399660 /nfs/dbraw/zinc/39/96/60/168399660.db2.gz JWGLGAGTPKQFIH-SSDOTTSWSA-N 0 0 189.214 1.581 10 0 ADAERN C[C@@H](O)c1cc(F)cc2c1NC(=O)C2 58101327 168399673 /nfs/dbraw/zinc/39/96/73/168399673.db2.gz DIIZWLXERHDNRZ-RXMQYKEDSA-N 0 0 195.193 1.374 10 0 ADAERN C[C@@H](O)[C@@H]1CCCOCC1 82839737 168399693 /nfs/dbraw/zinc/39/96/93/168399693.db2.gz UBFKCIYFOXRMCB-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@@H](O)c1cc(F)ccc1N 75853306 168399694 /nfs/dbraw/zinc/39/96/94/168399694.db2.gz DZMXDTGNWZYAHF-RXMQYKEDSA-N 0 0 155.172 1.461 10 0 ADAERN C[C@@H](O)[C@H](N)c1nc2ccccc2o1 20376057 168399721 /nfs/dbraw/zinc/39/97/21/168399721.db2.gz ADYVFCIDDNFXLE-MUWHJKNJSA-N 0 0 192.218 1.208 10 0 ADAERN C[C@@H](O)c1c2c(nn1C)CCCC2 39343066 168399735 /nfs/dbraw/zinc/39/97/35/168399735.db2.gz DIJWYASWVYDENQ-SSDOTTSWSA-N 0 0 180.251 1.352 10 0 ADAERN C[C@@H](O)[C@H]1CCCOCC1 82839741 168399737 /nfs/dbraw/zinc/39/97/37/168399737.db2.gz UBFKCIYFOXRMCB-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@@H](O)[C@@H]1CCCSC1 96861972 168399795 /nfs/dbraw/zinc/39/97/95/168399795.db2.gz ZPSFYRMVPVRUNA-RNFRBKRXSA-N 0 0 146.255 1.510 10 0 ADAERN C[C@@H](O)c1cc(F)ccc1N(C)C 35631453 168399826 /nfs/dbraw/zinc/39/98/26/168399826.db2.gz MIUZUDBHKKOMSU-SSDOTTSWSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@@H](O)c1c(Cl)cnn1C 75853234 168399868 /nfs/dbraw/zinc/39/98/68/168399868.db2.gz QZVWHZOLKMWATA-SCSAIBSYSA-N 0 0 160.604 1.127 10 0 ADAERN C[C@@H](O)[C@H](O)c1ccccc1 2039191 168399929 /nfs/dbraw/zinc/39/99/29/168399929.db2.gz MZQZXSHFWDHNOW-APPZFPTMSA-N 0 0 152.193 1.101 10 0 ADAERN C[C@@H](O)c1cc(F)c2c(c1)CC(=O)N2 58106536 168399950 /nfs/dbraw/zinc/39/99/50/168399950.db2.gz FTISNDNKAGXFBC-RXMQYKEDSA-N 0 0 195.193 1.374 10 0 ADAERN C[C@@H](O)[C@@H]1CCSC1 82836778 168399981 /nfs/dbraw/zinc/39/99/81/168399981.db2.gz VNKLREIDXLUAPO-PHDIDXHHSA-N 0 0 132.228 1.120 10 0 ADAERN C[C@@H](O)c1nc2cc(N)ccc2o1 43647099 168401053 /nfs/dbraw/zinc/40/10/53/168401053.db2.gz WBKSWHOXHDGZRM-RXMQYKEDSA-N 0 0 178.191 1.463 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)CCC(=O)N2 34285221 168401084 /nfs/dbraw/zinc/40/10/84/168401084.db2.gz FDOGVMIQCVDMKC-SSDOTTSWSA-N 0 0 191.230 1.625 10 0 ADAERN C[C@@H](O)c1cccc([C@@H](C)O)c1 34477879 168401124 /nfs/dbraw/zinc/40/11/24/168401124.db2.gz JXGTYKDVCCARGA-HTQZYQBOSA-N 0 0 166.220 1.793 10 0 ADAERN C[C@@H](O)c1ccc(OC[C@H]2CO2)cc1 137661890 168401126 /nfs/dbraw/zinc/40/11/26/168401126.db2.gz AZLYVNHKHYMJEJ-KCJUWKMLSA-N 0 0 194.230 1.518 10 0 ADAERN C[C@@H](O)c1nc2cnccc2o1 95933614 168401146 /nfs/dbraw/zinc/40/11/46/168401146.db2.gz FYTRRTSHBGCJDV-RXMQYKEDSA-N 0 0 164.164 1.276 10 0 ADAERN C[C@@H](O)c1ccccc1OCCO 35627129 168401201 /nfs/dbraw/zinc/40/12/01/168401201.db2.gz VYNIRAMXAIBNNU-MRVPVSSYSA-N 0 0 182.219 1.111 10 0 ADAERN C[C@@H](O)c1cccc(OCCCO)c1 41207334 168401217 /nfs/dbraw/zinc/40/12/17/168401217.db2.gz DRMCVXUVARFDBP-SECBINFHSA-N 0 0 196.246 1.501 10 0 ADAERN C[C@@H](O)c1nc2cccnc2[nH]1 39168226 168401284 /nfs/dbraw/zinc/40/12/84/168401284.db2.gz ZTUQNJBQRBINIX-RXMQYKEDSA-N 0 0 163.180 1.011 10 0 ADAERN C[C@@H](O)c1ccc(NC2CC2)c(N)c1 253577712 168401563 /nfs/dbraw/zinc/40/15/63/168401563.db2.gz XJVDHVXRMLCONB-SSDOTTSWSA-N 0 0 192.262 1.896 10 0 ADAERN C[C@@H](O)c1cccc(-n2cccn2)c1 20412651 168401668 /nfs/dbraw/zinc/40/16/68/168401668.db2.gz VZVFZDCYWGBXTH-SECBINFHSA-N 0 0 188.230 1.926 10 0 ADAERN C[C@@H](O)c1cnccc1Cl 34213826 168401676 /nfs/dbraw/zinc/40/16/76/168401676.db2.gz YEAHSGXGXCOVHG-RXMQYKEDSA-N 0 0 157.600 1.788 10 0 ADAERN C[C@@H](O)c1nc2ccc(N)cc2o1 43647102 168401698 /nfs/dbraw/zinc/40/16/98/168401698.db2.gz GRFCXAMSFDOESP-RXMQYKEDSA-N 0 0 178.191 1.463 10 0 ADAERN C[C@@H](ON)C(=O)c1ccccc1 77010283 168401954 /nfs/dbraw/zinc/40/19/54/168401954.db2.gz QMXQXSDTALKXLD-SSDOTTSWSA-N 0 0 165.192 1.148 10 0 ADAERN C[C@@H](Oc1ccccc1F)C(N)=S 41209837 168402082 /nfs/dbraw/zinc/40/20/82/168402082.db2.gz LKUMAFCKYVPXPL-ZCFIWIBFSA-N 0 0 199.250 1.879 10 0 ADAERN C[C@@H](ON)c1ccc(Cl)nc1 90613372 168402203 /nfs/dbraw/zinc/40/22/03/168402203.db2.gz KYNXNIPCZOSXPL-RXMQYKEDSA-N 0 0 172.615 1.686 10 0 ADAERN C[C@@H](OCC(N)=O)c1ccccc1 43639372 168402437 /nfs/dbraw/zinc/40/24/37/168402437.db2.gz ZQJCVDBIZWGPOI-MRVPVSSYSA-N 0 0 179.219 1.250 10 0 ADAERN C[C@@H](ON)c1ccc2c(c1)OCCO2 19728768 168403303 /nfs/dbraw/zinc/40/33/03/168403303.db2.gz QQKXKEVNEMDAIM-SSDOTTSWSA-N 0 0 195.218 1.409 10 0 ADAERN C[C@@H](c1ccc(N)cc1)n1cnnc1 54405064 168403919 /nfs/dbraw/zinc/40/39/19/168403919.db2.gz JJEJCZFWYDNREY-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN C[C@@H](c1ccccc1)[C@@H](O)CO 39271650 168404649 /nfs/dbraw/zinc/40/46/49/168404649.db2.gz FAZRWYMHXGYVGX-WPRPVWTQSA-N 0 0 166.220 1.143 10 0 ADAERN C[C@@H](c1ccco1)N(O)C(N)=O 13762842 168405983 /nfs/dbraw/zinc/40/59/83/168405983.db2.gz YIBAXIRZUZKFMV-YFKPBYRVSA-N 0 0 170.168 1.111 10 0 ADAERN C[C@@H](c1ccccc1)c1nnc[nH]1 75842256 168406009 /nfs/dbraw/zinc/40/60/09/168406009.db2.gz LSIYDJWGNPJARA-QMMMGPOBSA-N 0 0 173.219 1.957 10 0 ADAERN C[C@@H](c1ccccc1)c1nnc(N)o1 49478436 168406158 /nfs/dbraw/zinc/40/61/58/168406158.db2.gz FCAVLOWSLFIEBL-ZETCQYMHSA-N 0 0 189.218 1.804 10 0 ADAERN C[C@@H](c1ccco1)N1CCC(=O)C1 35739370 168406182 /nfs/dbraw/zinc/40/61/82/168406182.db2.gz VUBIPIGSZNJOTO-QMMMGPOBSA-N 0 0 179.219 1.615 10 0 ADAERN C[C@@H]1C(=O)C(C)(C)[C@H]1C 32218182 168406724 /nfs/dbraw/zinc/40/67/24/168406724.db2.gz PVXWXVPUCQYBGD-WDSKDSINSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@@H](c1ccccn1)n1nccc1N 19689376 168407516 /nfs/dbraw/zinc/40/75/16/168407516.db2.gz GDDGFCMZXSCMGW-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN C[C@@H](c1ccccc1N)n1cnnc1 54405068 168407543 /nfs/dbraw/zinc/40/75/43/168407543.db2.gz SPSNRIQCSFCFCU-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN C[C@@H]1C(=O)O[C@H]2CCCC[C@@H]21 32225717 168408603 /nfs/dbraw/zinc/40/86/03/168408603.db2.gz YBWKITXSXPBILI-RNJXMRFFSA-N 0 0 154.209 1.738 10 0 ADAERN C[C@@H]1C(=O)Nc2cc3c(cc21)OCO3 105902311 168408953 /nfs/dbraw/zinc/40/89/53/168408953.db2.gz XULVIJFIYSOQQS-YFKPBYRVSA-N 0 0 191.186 1.471 10 0 ADAERN C[C@@H]1C(=O)O[C@@H]2CCCC[C@@H]12 215997248 168409232 /nfs/dbraw/zinc/40/92/32/168409232.db2.gz YBWKITXSXPBILI-BIIVOSGPSA-N 0 0 154.209 1.738 10 0 ADAERN C[C@@H]1C(=O)NC=C1c1ccccc1 399914 168409372 /nfs/dbraw/zinc/40/93/72/168409372.db2.gz YTWVJTXAZWDKNY-QMMMGPOBSA-N 0 0 173.215 1.793 10 0 ADAERN C[C@@H]1C(=O)N[C@@H]1C(=O)c1ccccc1 34156144 168409518 /nfs/dbraw/zinc/40/95/18/168409518.db2.gz BVRWIMDOOQTTKC-CBAPKCEASA-N 0 0 189.214 1.004 10 0 ADAERN C[C@@H]1C=C[C@@H](CO)CC1 86864044 168410039 /nfs/dbraw/zinc/41/00/39/168410039.db2.gz BZJJMQUSCWMTBN-HTQZYQBOSA-N 0 0 126.199 1.581 10 0 ADAERN C[C@@H]1CC(=O)Nc2nc(N)sc21 96032679 168410695 /nfs/dbraw/zinc/41/06/95/168410695.db2.gz GHKWZIHDTVUGLG-GSVOUGTGSA-N 0 0 183.236 1.171 10 0 ADAERN C[C@@H]1CC(=O)O[C@@H](C(C)(C)C)O1 389822 168410888 /nfs/dbraw/zinc/41/08/88/168410888.db2.gz SFWUTHYTQUXJTB-SVRRBLITSA-N 0 0 172.224 1.711 10 0 ADAERN C[C@@H]1CC(=O)Nc2cccc(N)c2O1 62521652 168411237 /nfs/dbraw/zinc/41/12/37/168411237.db2.gz YVMHIKYATPTBPO-ZCFIWIBFSA-N 0 0 192.218 1.378 10 0 ADAERN C[C@@H]1C=C[C@H]2COC[C@@H]2C1 18506960 168411397 /nfs/dbraw/zinc/41/13/97/168411397.db2.gz NHHYWYQPRUDIRK-VGMNWLOBSA-N 0 0 138.210 1.845 10 0 ADAERN C[C@@H]1CC(=O)N(C)c2ccccc2O1 62520981 168411491 /nfs/dbraw/zinc/41/14/91/168411491.db2.gz CRBINPGPXQUBLY-MRVPVSSYSA-N 0 0 191.230 1.820 10 0 ADAERN C[C@@H]1CC(C)(C)CCC(=O)N1 1844027 168411684 /nfs/dbraw/zinc/41/16/84/168411684.db2.gz CSADMOJHKAPLRK-SSDOTTSWSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@@H]1CC(=S)NC1(C)C 196317388 168411721 /nfs/dbraw/zinc/41/17/21/168411721.db2.gz RRDOJRZUKUUZBF-RXMQYKEDSA-N 0 0 143.255 1.722 10 0 ADAERN C[C@@H]1CC(=O)[C@H]2CCCC[C@@H]2O1 82401967 168412006 /nfs/dbraw/zinc/41/20/06/168412006.db2.gz FGNGMBSAXRSYLC-MRTMQBJTSA-N 0 0 168.236 1.923 10 0 ADAERN C[C@@H]1CCCC=C1NN(C)C 39091028 168412600 /nfs/dbraw/zinc/41/26/00/168412600.db2.gz SWHDVOIEDSQFNV-MRVPVSSYSA-N 0 0 154.257 1.757 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H](CCO)C1 76591681 168412721 /nfs/dbraw/zinc/41/27/21/168412721.db2.gz JMZLEOWMCBVBNM-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H]1CC=CC[C@H]1COCC(N)=O 43639319 168412813 /nfs/dbraw/zinc/41/28/13/168412813.db2.gz VADYGUDNZBVCKK-BDAKNGLRSA-N 0 0 183.251 1.091 10 0 ADAERN C[C@@H]1CCC(=O)[C@@H]1C 32175895 168413139 /nfs/dbraw/zinc/41/31/39/168413139.db2.gz NHHSVMBOTBXSFH-PHDIDXHHSA-N 0 0 112.172 1.622 10 0 ADAERN C[C@@H]1CCCCCN1C(=O)CC(N)=O 335772779 168413184 /nfs/dbraw/zinc/41/31/84/168413184.db2.gz QLZOSYQVERCCMG-MRVPVSSYSA-N 0 0 198.266 1.703 10 0 ADAERN C[C@@H]1CCC(=O)[C@H](CCO)C1 76591677 168413469 /nfs/dbraw/zinc/41/34/69/168413469.db2.gz JMZLEOWMCBVBNM-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H]1CC=CC[C@H]1COCCC(N)=O 43639323 168413756 /nfs/dbraw/zinc/41/37/56/168413756.db2.gz LMSRMESBQJOYEL-ZJUUUORDSA-N 0 0 197.278 1.481 10 0 ADAERN C[C@@H]1CCCC2=C1CCC(=O)N2 196241525 168413830 /nfs/dbraw/zinc/41/38/30/168413830.db2.gz FVQQHVOOOLIGGJ-SSDOTTSWSA-N 0 0 165.236 1.971 10 0 ADAERN C[C@@H]1CCCCC[C@H]1O 32297192 168413852 /nfs/dbraw/zinc/41/38/52/168413852.db2.gz CVEWSZALSLGZAU-HTQZYQBOSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@@H]1CC=CC[C@@H]1COCCC(N)=O 43639321 168414145 /nfs/dbraw/zinc/41/41/45/168414145.db2.gz LMSRMESBQJOYEL-NXEZZACHSA-N 0 0 197.278 1.481 10 0 ADAERN C[C@@H]1CCCC[C@@H]1NC(=O)CC(N)=O 336396051 168414919 /nfs/dbraw/zinc/41/49/19/168414919.db2.gz IBMHEQLUEIENBY-SFYZADRCSA-N 0 0 198.266 1.607 10 0 ADAERN C[C@@H]1CCCCN1C#N 39648060 168415218 /nfs/dbraw/zinc/41/52/18/168415218.db2.gz BXEASFYXQCYZTR-SSDOTTSWSA-N 0 0 124.187 1.342 10 0 ADAERN C[C@@H]1CCCC[C@@H](O)O1 196326839 168416614 /nfs/dbraw/zinc/41/66/14/168416614.db2.gz XQWUVURKGQJCFF-RQJHMYQMSA-N 0 0 130.187 1.284 10 0 ADAERN C[C@@H]1CCCC[C@@H]1OCC(N)=S 19432081 168417118 /nfs/dbraw/zinc/41/71/18/168417118.db2.gz QUMDHALNJKQACP-SFYZADRCSA-N 0 0 187.308 1.868 10 0 ADAERN C[C@@H]1CCCC[C@H]1OCC(N)=S 19432085 168417441 /nfs/dbraw/zinc/41/74/41/168417441.db2.gz QUMDHALNJKQACP-HTQZYQBOSA-N 0 0 187.308 1.868 10 0 ADAERN C[C@@H]1CCCC[C@H]1NS(C)(=O)=O 13939389 168418101 /nfs/dbraw/zinc/41/81/01/168418101.db2.gz DDEWBVWAXUKTOC-HTQZYQBOSA-N 0 0 191.296 1.114 10 0 ADAERN C[C@@H]1CCCC[C@H]1C(=O)N1CCCO1 335600773 168418141 /nfs/dbraw/zinc/41/81/41/168418141.db2.gz BLOGPFMERWCKKW-NXEZZACHSA-N 0 0 197.278 1.977 10 0 ADAERN C[C@@H]1CCCN1C(=O)C1=CCC1 307521229 168419245 /nfs/dbraw/zinc/41/92/45/168419245.db2.gz UGQVMTNZGMSXRJ-MRVPVSSYSA-N 0 0 165.236 1.718 10 0 ADAERN C[C@@H]1CCCN1C(=O)[C@@H]1CC12CC2 335545732 168421431 /nfs/dbraw/zinc/42/14/31/168421431.db2.gz YYHILLVRWXBYCX-BDAKNGLRSA-N 0 0 179.263 1.797 10 0 ADAERN C[C@@H]1CCCN1C(=O)N[C@@H]1CC12CC2 335142434 168421571 /nfs/dbraw/zinc/42/15/71/168421571.db2.gz VANYCYGSCAJLHG-RKDXNWHRSA-N 0 0 194.278 1.733 10 0 ADAERN C[C@@H]1CCCN1C(=O)[C@H]1CC12CC2 335545735 168421871 /nfs/dbraw/zinc/42/18/71/168421871.db2.gz YYHILLVRWXBYCX-RKDXNWHRSA-N 0 0 179.263 1.797 10 0 ADAERN C[C@@H]1CCCN1c1ncc(N)cn1 40455867 168421955 /nfs/dbraw/zinc/42/19/55/168421955.db2.gz VZHNPTYRJRGYIT-SSDOTTSWSA-N 0 0 178.239 1.048 10 0 ADAERN C[C@@H]1CCCN1C(=O)c1cc(F)c[nH]1 336341536 168422658 /nfs/dbraw/zinc/42/26/58/168422658.db2.gz SKEHMAZUSPRJPP-SSDOTTSWSA-N 0 0 196.225 1.778 10 0 ADAERN C[C@@H]1CCCN1C(=O)Cc1ccon1 335770414 168422902 /nfs/dbraw/zinc/42/29/02/168422902.db2.gz DRPQXWLVENJOAI-MRVPVSSYSA-N 0 0 194.234 1.228 10 0 ADAERN C[C@@H]1CCC[N@@H+]1C(C)(C)C(=O)[O-] 41838546 168423114 /nfs/dbraw/zinc/42/31/14/168423114.db2.gz ZUNYHAGHMCETDD-SSDOTTSWSA-N 0 0 171.240 1.334 10 0 ADAERN C[C@@H]1CCC[C@@H](NS(C)(=O)=O)C1 70226331 168423911 /nfs/dbraw/zinc/42/39/11/168423911.db2.gz HMVDNCQEMFVQIT-HTQZYQBOSA-N 0 0 191.296 1.114 10 0 ADAERN C[C@@H]1CCC[C@@H](C(N)=O)[C@@H]1C 38522738 168424044 /nfs/dbraw/zinc/42/40/44/168424044.db2.gz YLLLBPDHWVMPKE-BWZBUEFSSA-N 0 0 155.241 1.544 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1S(C)(=O)=O 3196905 168424068 /nfs/dbraw/zinc/42/40/68/168424068.db2.gz NDRNIFSBRLCSCZ-HTQZYQBOSA-N 0 0 191.296 1.209 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1C(=O)CC(N)=O 334217785 168425045 /nfs/dbraw/zinc/42/50/45/168425045.db2.gz XDLQAOJWLJSWSL-HTQZYQBOSA-N 0 0 198.266 1.701 10 0 ADAERN C[C@@H]1CCC[C@@H]1N1C(=O)CN(C)C1=O 335342923 168426822 /nfs/dbraw/zinc/42/68/22/168426822.db2.gz CZUMLFGYXAEGNA-SFYZADRCSA-N 0 0 196.250 1.069 10 0 ADAERN C[C@@H]1CCC[C@H](C(=O)N2CCCN2)C1 306880770 168426861 /nfs/dbraw/zinc/42/68/61/168426861.db2.gz GHMKGPVXVZRFGE-ZJUUUORDSA-N 0 0 196.294 1.550 10 0 ADAERN C[C@@H]1CCC[C@@]1(C[NH3+])CC(=O)[O-] 33961499 168426981 /nfs/dbraw/zinc/42/69/81/168426981.db2.gz PWXVILGGHDMFDJ-APPZFPTMSA-N 0 0 171.240 1.226 10 0 ADAERN C[C@@H]1CCC[C@@H]1CC(=O)N1CCCO1 336064648 168427549 /nfs/dbraw/zinc/42/75/49/168427549.db2.gz SXVGJHOXOUPEDA-NXEZZACHSA-N 0 0 197.278 1.977 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)[C@@H]([NH3+])C[C@H]2C(=O)[O-] 39084434 168428114 /nfs/dbraw/zinc/42/81/14/168428114.db2.gz ILVMHHQIGYQPFI-UYAYMFIHSA-N 0 0 197.278 1.615 10 0 ADAERN C[C@@H]1CCC[C@]1(C)C(=O)N1CC(F)C1 336270660 168428289 /nfs/dbraw/zinc/42/82/89/168428289.db2.gz AGDCOHQYAZOYGE-KCJUWKMLSA-N 0 0 199.269 1.993 10 0 ADAERN C[C@@H]1CCC[C@]2(CC(=O)NC2=O)C1 36929089 168428480 /nfs/dbraw/zinc/42/84/80/168428480.db2.gz TVZJNFDVAGDSNJ-GMSGAONNSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@H]1CCC[C@H](OC(=O)CN)C1 40953427 168428520 /nfs/dbraw/zinc/42/85/20/168428520.db2.gz FDJCKCYLKANHQD-SFYZADRCSA-N 0 0 171.240 1.067 10 0 ADAERN C[C@@H]1CCC[C@H](c2noc(N)n2)C1 52708810 168428645 /nfs/dbraw/zinc/42/86/45/168428645.db2.gz QBPPEAKAGIFUFS-RQJHMYQMSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1CCC[C@](C(=O)[O-])([NH+](C)C)C1 37357644 168428683 /nfs/dbraw/zinc/42/86/83/168428683.db2.gz 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168429978 /nfs/dbraw/zinc/42/99/78/168429978.db2.gz SZRDVFRGMYZPTJ-MRVPVSSYSA-N 0 0 192.262 1.876 10 0 ADAERN C[C@@H]1CCN(C(=O)C2(CCF)CC2)C1 336559678 168430321 /nfs/dbraw/zinc/43/03/21/168430321.db2.gz MDSIEMIKGVBPPQ-SECBINFHSA-N 0 0 199.269 1.995 10 0 ADAERN C[C@@H]1CCN(C(=O)C2(C)COC2)[C@@H]1C 336314698 168430404 /nfs/dbraw/zinc/43/04/04/168430404.db2.gz AKENRJGABPVRBH-RKDXNWHRSA-N 0 0 197.278 1.280 10 0 ADAERN C[C@@H]1CCN(C(=O)C2CC(C)(O)C2)C1 334716662 168430504 /nfs/dbraw/zinc/43/05/04/168430504.db2.gz YGPORMXLBWXDAS-FKTRJACZSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@@H]1CCN(C(=O)N(C)C2CC2)C1 307742140 168430829 /nfs/dbraw/zinc/43/08/29/168430829.db2.gz KEJVCRYLNWJNHX-MRVPVSSYSA-N 0 0 182.267 1.542 10 0 ADAERN C[C@@H]1CC[N@H+](CC(C)(C)C(=O)[O-])C1 51288747 168432068 /nfs/dbraw/zinc/43/20/68/168432068.db2.gz KARPTAHYIQPDNU-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@@H]1CCN2C(=O)CC[C@H]12 18717269 168434365 /nfs/dbraw/zinc/43/43/65/168434365.db2.gz XQRIFSFMAVSCKK-RNFRBKRXSA-N 0 0 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LKMGCPRMPZCXOA-VIFPVBQESA-N 0 0 166.176 1.832 10 0 ADAERN C[C@@]12CC=CC[C@@]1(C)C(=O)NC2=O 211958571 168505313 /nfs/dbraw/zinc/50/53/13/168505313.db2.gz WZLRGFCBOZGAPN-UWVGGRQHSA-N 0 0 179.219 1.005 10 0 ADAERN C[C@@]12CCC[C@@](C)(O1)[C@@H](O)O2 34540136 168505443 /nfs/dbraw/zinc/50/54/43/168505443.db2.gz FEOWDCPCHKKUDB-RNJXMRFFSA-N 0 0 158.197 1.010 10 0 ADAERN C[C@@]12CCCC[C@H]1NC(=O)O2 145774169 168505823 /nfs/dbraw/zinc/50/58/23/168505823.db2.gz FBVZZXGFPMYONR-HTRCEHHLSA-N 0 0 155.197 1.428 10 0 ADAERN C[C@@]12CCCC[C@@H]1OC(=O)N2 34165016 168505902 /nfs/dbraw/zinc/50/59/02/168505902.db2.gz OWMFIRNBPXIRBO-POYBYMJQSA-N 0 0 155.197 1.428 10 0 ADAERN C[C@@]12CCCN1C(=O)CC2 238435845 168505931 /nfs/dbraw/zinc/50/59/31/168505931.db2.gz FSVVYIAVWCTTTL-QMMMGPOBSA-N 0 0 139.198 1.161 10 0 ADAERN C[C@@]12CCCC[C@H]1C(=O)NC(=O)C2 196082533 168506321 /nfs/dbraw/zinc/50/63/21/168506321.db2.gz LARCIEGGOJHJOS-XVKPBYJWSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@]12CC[C@@H](CN(C(N)=O)C1)C2 206773318 168506697 /nfs/dbraw/zinc/50/66/97/168506697.db2.gz GPBZIADTPXUYKE-APPZFPTMSA-N 0 0 168.240 1.187 10 0 ADAERN C[C@H](C(=O)N1CCC1)C(C)(F)F 306462989 168512501 /nfs/dbraw/zinc/51/25/01/168512501.db2.gz HJGYJYJVRUNCKD-ZCFIWIBFSA-N 0 0 177.194 1.510 10 0 ADAERN C[C@H](C(=O)N1CC(CO)C1)C(C)(C)C 335690576 168512915 /nfs/dbraw/zinc/51/29/15/168512915.db2.gz KOZMGXCYYWFSMR-MRVPVSSYSA-N 0 0 199.294 1.119 10 0 ADAERN C[C@H](C(=O)N(C)[C@@H]1CCOC1)C1CC1 334492726 168512920 /nfs/dbraw/zinc/51/29/20/168512920.db2.gz OZCBJVIVSVABQE-WCBMZHEXSA-N 0 0 197.278 1.280 10 0 ADAERN C[C@H](C(=O)N1CCCC1)C(F)(F)F 306751450 168513191 /nfs/dbraw/zinc/51/31/91/168513191.db2.gz HQUGMIWDRIJHHV-ZCFIWIBFSA-N 0 0 195.184 1.807 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]([NH3+])c1ccc(O)cc1 44396317 168514137 /nfs/dbraw/zinc/51/41/37/168514137.db2.gz GQCOWMCRRVGKGS-RCOVLWMOSA-N 0 0 195.218 1.113 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CCCCC[NH2+]1 82400450 168514455 /nfs/dbraw/zinc/51/44/55/168514455.db2.gz APSXULOONSSCEU-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]([NH3+])c1cccc(F)c1 57937702 168514552 /nfs/dbraw/zinc/51/45/52/168514552.db2.gz YHYTXAJQAAYZAT-RCOVLWMOSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@H](C(=O)Nc1nccn1C)C1CC1 335193921 168514902 /nfs/dbraw/zinc/51/49/02/168514902.db2.gz RNYDLFWJQJEYRU-ZETCQYMHSA-N 0 0 193.250 1.405 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccc(F)cc1 57937684 168514990 /nfs/dbraw/zinc/51/49/90/168514990.db2.gz DHINGAZIJYFDFS-IMTBSYHQSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]([NH3+])C1CCCCC1 2586096 168515058 /nfs/dbraw/zinc/51/50/58/168515058.db2.gz RKMKBWNSAHLZLE-IONNQARKSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]([NH3+])c1ccccc1F 57937662 168515368 /nfs/dbraw/zinc/51/53/68/168515368.db2.gz MJAKNMQWVLSZKA-RCOVLWMOSA-N 0 0 197.209 1.546 10 0 ADAERN C[C@H](C1CC1)n1cc(C=O)cn1 40931910 168519207 /nfs/dbraw/zinc/51/92/07/168519207.db2.gz IEDMGXYTEOPTHQ-SSDOTTSWSA-N 0 0 164.208 1.667 10 0 ADAERN C[C@H](CC(=O)[O-])C[NH+]1CCCC1 76580092 168520228 /nfs/dbraw/zinc/52/02/28/168520228.db2.gz VNQGGYWVOPOGMB-MRVPVSSYSA-N 0 0 171.240 1.193 10 0 ADAERN C[C@H](CC(=O)N(C)C)c1cccnc1 334538952 168521664 /nfs/dbraw/zinc/52/16/64/168521664.db2.gz QDVCINGJPDSYIB-SECBINFHSA-N 0 0 192.262 1.663 10 0 ADAERN C[C@H](CC(C)(C)C)C(=O)N1CC(O)C1 335334129 168522084 /nfs/dbraw/zinc/52/20/84/168522084.db2.gz NECNDJGIZAYQIP-MRVPVSSYSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@H](CC1CC[NH+](C)CC1)C(=O)[O-] 96864814 168522155 /nfs/dbraw/zinc/52/21/55/168522155.db2.gz RSSPDJJCQKXYRO-MRVPVSSYSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H](CC(N)=O)c1ccc(O)cc1 75569224 168522480 /nfs/dbraw/zinc/52/24/80/168522480.db2.gz JPQSESWYTLQXMZ-SSDOTTSWSA-N 0 0 179.219 1.371 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]1CCC[NH2+]CC1 82392679 168522737 /nfs/dbraw/zinc/52/27/37/168522737.db2.gz XRCPGSHIRZSOSW-RKDXNWHRSA-N 0 0 185.267 1.487 10 0 ADAERN C[C@H](CCCC(=O)[O-])[NH+](C)C 82405480 168523184 /nfs/dbraw/zinc/52/31/84/168523184.db2.gz YTONYLGJUCCLNB-SSDOTTSWSA-N 0 0 159.229 1.191 10 0 ADAERN C[C@H](CC(N)=O)c1cccnc1 118742849 168523253 /nfs/dbraw/zinc/52/32/53/168523253.db2.gz KJFIAWCKGMRBLB-SSDOTTSWSA-N 0 0 164.208 1.061 10 0 ADAERN C[C@H](CCCO)O[C@H]1CCCCO1 145674575 168523654 /nfs/dbraw/zinc/52/36/54/168523654.db2.gz UMPQCUYZAKUHHG-ZJUUUORDSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@H](CCCCO)C(C)(C)O 33506100 168523865 /nfs/dbraw/zinc/52/38/65/168523865.db2.gz BGQNNKZAJXZSPQ-MRVPVSSYSA-N 0 0 160.257 1.556 10 0 ADAERN C[C@H](CCc1ccccc1)NO 132027791 168526382 /nfs/dbraw/zinc/52/63/82/168526382.db2.gz JDLQETWZGAHCSH-SECBINFHSA-N 0 0 165.236 1.987 10 0 ADAERN C[C@H](CCc1ccco1)NN 75541710 168526796 /nfs/dbraw/zinc/52/67/96/168526796.db2.gz RRCIVKYFKJBEMM-SSDOTTSWSA-N 0 0 154.213 1.064 10 0 ADAERN C[C@H](C[N@H+](C)CC(C)(C)C)C(=O)[O-] 45083822 168527360 /nfs/dbraw/zinc/52/73/60/168527360.db2.gz RTPCCXRIVAQAGA-MRVPVSSYSA-N 0 0 187.283 1.685 10 0 ADAERN C[C@H](C[NH+]1CCC(C)(C)CC1)C(=O)[O-] 61820568 168533983 /nfs/dbraw/zinc/53/39/83/168533983.db2.gz FKZQUYZXVZYNRL-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@H](CNO)c1ccccc1 82840860 168535795 /nfs/dbraw/zinc/53/57/95/168535795.db2.gz WMJISPVOIOKMNI-MRVPVSSYSA-N 0 0 151.209 1.769 10 0 ADAERN C[C@H](C[NH2+][C@@H]1CC1(C)C)C(=O)[O-] 45119511 168536056 /nfs/dbraw/zinc/53/60/56/168536056.db2.gz GPVHXNXWYDQPMS-RNFRBKRXSA-N 0 0 171.240 1.095 10 0 ADAERN C[C@H](CO)c1cccs1 41166978 168536585 /nfs/dbraw/zinc/53/65/85/168536585.db2.gz MDOCNASYRBQPCP-ZCFIWIBFSA-N 0 0 142.223 1.844 10 0 ADAERN C[C@H](CO)Nc1cccc(N)c1 35600391 168536755 /nfs/dbraw/zinc/53/67/55/168536755.db2.gz XXBZEGUABMPCLH-SSDOTTSWSA-N 0 0 166.224 1.062 10 0 ADAERN C[C@H](CO)[C@@H]1CC[C@@H](C)[C@@H](O)C1 32136556 168537050 /nfs/dbraw/zinc/53/70/50/168537050.db2.gz RKCNERCHRYXYPR-KYXWUPHJSA-N 0 0 172.268 1.412 10 0 ADAERN C[C@H](CO)Oc1ccc2c(c1)OCO2 41207247 168537097 /nfs/dbraw/zinc/53/70/97/168537097.db2.gz SBYOSOXFWMVLOO-SSDOTTSWSA-N 0 0 196.202 1.175 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)COC2=O 222918854 168537271 /nfs/dbraw/zinc/53/72/71/168537271.db2.gz RUQVBGCFDPWBBL-SSDOTTSWSA-N 0 0 192.214 1.453 10 0 ADAERN C[C@H](CO)[C@H]1CC[C@@H](C)[C@@H](O)C1 32136558 168537413 /nfs/dbraw/zinc/53/74/13/168537413.db2.gz RKCNERCHRYXYPR-IMSYWVGJSA-N 0 0 172.268 1.412 10 0 ADAERN C[C@H](Cc1ccccc1F)NC(N)=O 335248008 168538041 /nfs/dbraw/zinc/53/80/41/168538041.db2.gz HIOKVKDTFSCXQV-SSDOTTSWSA-N 0 0 196.225 1.425 10 0 ADAERN C[C@H](Cc1ccccc1)NN(C)C 19167201 168539036 /nfs/dbraw/zinc/53/90/36/168539036.db2.gz PNZKOOCCVBURLG-SNVBAGLBSA-N 0 0 178.279 1.684 10 0 ADAERN C[C@H](N(C)C(N)=O)C(C)(C)C 42266171 168541481 /nfs/dbraw/zinc/54/14/81/168541481.db2.gz ORWGSJNWWCKSTP-LURJTMIESA-N 0 0 158.245 1.432 10 0 ADAERN C[C@H](F)c1cccc(C=O)n1 39062388 168542933 /nfs/dbraw/zinc/54/29/33/168542933.db2.gz RMORKSZSEDGRTN-LURJTMIESA-N 0 0 153.156 1.925 10 0 ADAERN C[C@H](N)C(=O)OCc1ccc(F)cc1 49811712 168543411 /nfs/dbraw/zinc/54/34/11/168543411.db2.gz PBLITKULKIWCLX-ZETCQYMHSA-N 0 0 197.209 1.216 10 0 ADAERN C[C@H]([NH3+])CC(C)(C)CC(=O)[O-] 17412106 168547512 /nfs/dbraw/zinc/54/75/12/168547512.db2.gz OHUNOKZZHHYFLV-LURJTMIESA-N 0 0 159.229 1.225 10 0 ADAERN C[C@H]([NH3+])CNc1ccccc1C(=O)[O-] 39084025 168548808 /nfs/dbraw/zinc/54/88/08/168548808.db2.gz DEJXQZSQAOBEHA-ZETCQYMHSA-N 0 0 194.234 1.144 10 0 ADAERN C[C@H]([NH3+])Cc1ccc(C(=O)[O-])cc1 44410437 168550942 /nfs/dbraw/zinc/55/09/42/168550942.db2.gz GUBGXBDJXWOIFT-ZETCQYMHSA-N 0 0 179.219 1.275 10 0 ADAERN C[C@H]([NH3+])[C@@H](C(=O)[O-])c1ccsc1 83591629 168552697 /nfs/dbraw/zinc/55/26/97/168552697.db2.gz LUEWMCUOFODUJA-CAHLUQPWSA-N 0 0 185.248 1.264 10 0 ADAERN C[C@H]([NH3+])[C@H](C(=O)[O-])c1ccccc1 83591199 168553469 /nfs/dbraw/zinc/55/34/69/168553469.db2.gz HYFRYTQBFPABDO-CBAPKCEASA-N 0 0 179.219 1.202 10 0 ADAERN C[C@H]([NH3+])[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C 83591771 168553528 /nfs/dbraw/zinc/55/35/28/168553528.db2.gz KCIHWDJJDVREPW-RNSXUZJQSA-N 0 0 199.294 1.861 10 0 ADAERN C[C@H](N)c1nnc(CC(F)(F)F)o1 50284248 168558194 /nfs/dbraw/zinc/55/81/94/168558194.db2.gz PXDQCSIJFZBVNE-VKHMYHEASA-N 0 0 195.144 1.194 10 0 ADAERN C[C@H](NC(=O)N1CCCCO1)C1CC1 334457824 168561123 /nfs/dbraw/zinc/56/11/23/168561123.db2.gz PYDFXDOWSCFSAN-QMMMGPOBSA-N 0 0 198.266 1.522 10 0 ADAERN C[C@H](NC(=O)[C@@H](C)O)C1CCCC1 307328647 168561941 /nfs/dbraw/zinc/56/19/41/168561941.db2.gz WAMASLURVIVNCO-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@H](NC#N)c1ccccc1 34266035 168561963 /nfs/dbraw/zinc/56/19/63/168561963.db2.gz LZSOVUZOYKEQQZ-QMMMGPOBSA-N 0 0 146.193 1.818 10 0 ADAERN C[C@H](NC(=O)N1CCC1)C1CCCC1 334715599 168562312 /nfs/dbraw/zinc/56/23/12/168562312.db2.gz OPNARPFRZAIYDJ-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN C[C@H](NC(=O)C1CC(C)(O)C1)C1CC1 334916496 168562382 /nfs/dbraw/zinc/56/23/82/168562382.db2.gz AMKFWNDLYPNLMG-DSXZHNHRSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@H](NC(=O)[C@H]1CC12CC2)C1CC1 335497239 168563375 /nfs/dbraw/zinc/56/33/75/168563375.db2.gz ZUBTUYZJFYKTIB-IONNQARKSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@H](NC(N)=O)c1ccc(F)cc1 42227857 168563532 /nfs/dbraw/zinc/56/35/32/168563532.db2.gz UTVPMSWKZMMHFU-LURJTMIESA-N 0 0 182.198 1.555 10 0 ADAERN C[C@H](NC1COC1)C(C)(F)F 307025154 168564687 /nfs/dbraw/zinc/56/46/87/168564687.db2.gz GTKAKZWZHBLADL-YFKPBYRVSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@H]([NH2+]CC(=O)[O-])c1ccc(O)cc1 36723179 168565446 /nfs/dbraw/zinc/56/54/46/168565446.db2.gz CHKKZNGYVPLKAT-ZETCQYMHSA-N 0 0 195.218 1.127 10 0 ADAERN C[C@H](NN)[C@@H](C)Nc1ccccc1 75569617 168568949 /nfs/dbraw/zinc/56/89/49/168568949.db2.gz FSYFXMFUHRXUAG-BDAKNGLRSA-N 0 0 179.267 1.339 10 0 ADAERN C[C@H](NN)c1ccc2c(c1)CCCO2 82530612 168569031 /nfs/dbraw/zinc/56/90/31/168569031.db2.gz YIZOUQAAWHILQI-QMMMGPOBSA-N 0 0 192.262 1.536 10 0 ADAERN C[C@H](NN)c1cn(C)c2ccccc12 82530252 168569195 /nfs/dbraw/zinc/56/91/95/168569195.db2.gz KDGVQJQCMMGCIM-QMMMGPOBSA-N 0 0 189.262 1.703 10 0 ADAERN C[C@H](NO)c1cccn1C 8700245 168569214 /nfs/dbraw/zinc/56/92/14/168569214.db2.gz FBMOYDZWGKXXBV-LURJTMIESA-N 0 0 140.186 1.065 10 0 ADAERN C[C@H](NO)c1ccn(C)c1 8700243 168569319 /nfs/dbraw/zinc/56/93/19/168569319.db2.gz UQJWPWSXJHVOCV-LURJTMIESA-N 0 0 140.186 1.065 10 0 ADAERN C[C@H](NN)c1c(F)cccc1F 19404460 168570218 /nfs/dbraw/zinc/57/02/18/168570218.db2.gz RQBKZFTZNMGDEA-YFKPBYRVSA-N 0 0 172.178 1.489 10 0 ADAERN C[C@H](Nc1cccc(F)c1)C(N)=O 20307666 168571004 /nfs/dbraw/zinc/57/10/04/168571004.db2.gz MHTWDLASDJWROL-LURJTMIESA-N 0 0 182.198 1.111 10 0 ADAERN C[C@H](Nc1ccccc1)[C@@H](C)NN 75569612 168571227 /nfs/dbraw/zinc/57/12/27/168571227.db2.gz FSYFXMFUHRXUAG-DTWKUNHWSA-N 0 0 179.267 1.339 10 0 ADAERN C[C@H](Nc1cn[nH]c1)c1cc[nH]n1 37907129 168572555 /nfs/dbraw/zinc/57/25/55/168572555.db2.gz PPGQYHMTHBYORY-LURJTMIESA-N 0 0 177.211 1.306 10 0 ADAERN C[C@H](Nc1cnccn1)[C@H]1CCCO1 35238251 168572649 /nfs/dbraw/zinc/57/26/49/168572649.db2.gz DYXMWMVHBNDFLC-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@H](Nc1cn[nH]c1)c1ccncc1 35763942 168572774 /nfs/dbraw/zinc/57/27/74/168572774.db2.gz AYGXAFHAEWLCKL-QMMMGPOBSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@H](Nc1cnccn1)[C@@H]1CCCO1 35238247 168572785 /nfs/dbraw/zinc/57/27/85/168572785.db2.gz DYXMWMVHBNDFLC-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@H](Nc1cn[nH]c1)c1cnn(C)c1 44495946 168572893 /nfs/dbraw/zinc/57/28/93/168572893.db2.gz FLMWAGQQTCNOPI-ZETCQYMHSA-N 0 0 191.238 1.316 10 0 ADAERN C[C@H](O)C(=O)NCC1CCCCCC1 336285554 168572914 /nfs/dbraw/zinc/57/29/14/168572914.db2.gz MDYIXEQJYRMLKB-VIFPVBQESA-N 0 0 199.294 1.454 10 0 ADAERN C[C@H](O)C(=O)NC1CCC2(CC1)CC2 335684047 168573000 /nfs/dbraw/zinc/57/30/00/168573000.db2.gz ZIZNYMVMECVSQB-QMMMGPOBSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@H](Nc1ncccn1)[C@@H]1CCCO1 35216701 168573053 /nfs/dbraw/zinc/57/30/53/168573053.db2.gz CJHJQGFZRFKKNL-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@H](Nc1ccncn1)[C@@H]1CCCO1 40863110 168573224 /nfs/dbraw/zinc/57/32/24/168573224.db2.gz IQMPMJTXKHZWOG-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@H](O)C(=O)N(C)C1(C)CCCC1 307149905 168573513 /nfs/dbraw/zinc/57/35/13/168573513.db2.gz SKHRGBSBXNTUGG-QMMMGPOBSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@H](O)C(=O)NC1CC(C(C)(C)C)C1 334293028 168573527 /nfs/dbraw/zinc/57/35/27/168573527.db2.gz OZZOHNQGVVDYFL-UEJVZZJDSA-N 0 0 199.294 1.308 10 0 ADAERN C[C@H](O)C(=O)O[C@@H]1CCCC[C@H]1C 256873860 168573995 /nfs/dbraw/zinc/57/39/95/168573995.db2.gz ZLMORGKRXPNOBO-HRDYMLBCSA-N 0 0 186.251 1.489 10 0 ADAERN C[C@H](O)CC1CCC(O)CC1 39060118 168574127 /nfs/dbraw/zinc/57/41/27/168574127.db2.gz IJIFCRNAFSHYJH-UEJVZZJDSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@H](O)CCCCn1cccn1 45620833 168574332 /nfs/dbraw/zinc/57/43/32/168574332.db2.gz YYUSGLVGGVAZFS-VIFPVBQESA-N 0 0 168.240 1.434 10 0 ADAERN C[C@H](O)CCCOC1CCOCC1 45622303 168574636 /nfs/dbraw/zinc/57/46/36/168574636.db2.gz MNXSKZYXRQWISV-VIFPVBQESA-N 0 0 188.267 1.343 10 0 ADAERN C[C@H](O)C(C)(C)NC(=O)c1ccoc1 161337474 168574670 /nfs/dbraw/zinc/57/46/70/168574670.db2.gz GKPWEXFXYZEVSE-ZETCQYMHSA-N 0 0 197.234 1.169 10 0 ADAERN C[C@H](O)C(=O)N[C@H]1CC2CCC1CC2 335807642 168574674 /nfs/dbraw/zinc/57/46/74/168574674.db2.gz PNISOLVEUQRNAW-NFTFJBJSSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@H](O)C(C)(C)NCC(F)F 17546999 168574770 /nfs/dbraw/zinc/57/47/70/168574770.db2.gz XAPUUAVTUUFUOM-YFKPBYRVSA-N 0 0 167.199 1.001 10 0 ADAERN C[C@H](O)CCCCn1ccccc1=O 45620823 168574798 /nfs/dbraw/zinc/57/47/98/168574798.db2.gz PXIMKGVQFCHWQK-JTQLQIEISA-N 0 0 195.262 1.399 10 0 ADAERN C[C@H](O)CCCC(C)(C)O 34223806 168574799 /nfs/dbraw/zinc/57/47/99/168574799.db2.gz IOMHEFJNPZANMF-ZETCQYMHSA-N 0 0 146.230 1.308 10 0 ADAERN C[C@H](O)CCCn1cccn1 45620838 168574920 /nfs/dbraw/zinc/57/49/20/168574920.db2.gz TXSCXVWZKASMCC-QMMMGPOBSA-N 0 0 154.213 1.044 10 0 ADAERN C[C@H](O)CCC1(O)CCCC1 39241880 168574928 /nfs/dbraw/zinc/57/49/28/168574928.db2.gz IUPFPLRBMIWZDL-QMMMGPOBSA-N 0 0 158.241 1.453 10 0 ADAERN C[C@H](O)C(=O)N[C@@H]1CC2CCC1CC2 335807641 168574970 /nfs/dbraw/zinc/57/49/70/168574970.db2.gz PNISOLVEUQRNAW-AUXWQGHOSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@H](O)C(=O)c1ccc(Cl)cc1 13534439 168574974 /nfs/dbraw/zinc/57/49/74/168574974.db2.gz MRBCYWADGWRLRL-LURJTMIESA-N 0 0 184.622 1.904 10 0 ADAERN C[C@H](O)CCn1ncc2ccccc21 50527778 168575781 /nfs/dbraw/zinc/57/57/81/168575781.db2.gz DRTVYQWJADGUIF-VIFPVBQESA-N 0 0 190.246 1.807 10 0 ADAERN C[C@H](O)CCc1ccncc1 39147480 168576014 /nfs/dbraw/zinc/57/60/14/168576014.db2.gz CKTGPDVDHJWHDR-QMMMGPOBSA-N 0 0 151.209 1.395 10 0 ADAERN C[C@H](O)CCOC[C@@H]1CCCCO1 44220873 168576061 /nfs/dbraw/zinc/57/60/61/168576061.db2.gz PKMKHPCAFGDWAU-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@H](O)CCOc1ccccc1F 32007756 168576152 /nfs/dbraw/zinc/57/61/52/168576152.db2.gz DBMHMNNANCDOET-QMMMGPOBSA-N 0 0 184.210 1.975 10 0 ADAERN C[C@H](O)CCOCC1CCOCC1 52156739 168576759 /nfs/dbraw/zinc/57/67/59/168576759.db2.gz GLGXIYSOPDHRJO-VIFPVBQESA-N 0 0 188.267 1.201 10 0 ADAERN C[C@H](O)CN(C)c1cc(F)ccc1N 52122182 168577306 /nfs/dbraw/zinc/57/73/06/168577306.db2.gz PYKAKOUNAJWKFV-ZETCQYMHSA-N 0 0 198.241 1.225 10 0 ADAERN C[C@H](O)CN(C)c1ccccc1N 51819555 168577311 /nfs/dbraw/zinc/57/73/11/168577311.db2.gz PNQDSAWAURTRNE-QMMMGPOBSA-N 0 0 180.251 1.086 10 0 ADAERN C[C@H](O)CN(C)c1cccc(N)c1 51819619 168578315 /nfs/dbraw/zinc/57/83/15/168578315.db2.gz NGTVBKJFAFZHDF-QMMMGPOBSA-N 0 0 180.251 1.086 10 0 ADAERN C[C@H](O)CN(C)c1cccc(F)c1 49805846 168578713 /nfs/dbraw/zinc/57/87/13/168578713.db2.gz MKAQQISBFQDHLK-QMMMGPOBSA-N 0 0 183.226 1.643 10 0 ADAERN C[C@H](O)C[C@H](C)OC(C)(C)C 17408211 168580937 /nfs/dbraw/zinc/58/09/37/168580937.db2.gz WELRQTQVSYOPGS-YUMQZZPRSA-N 0 0 160.257 1.961 10 0 ADAERN C[C@H](O)COc1ccccc1[C@@H](C)O 27898146 168580961 /nfs/dbraw/zinc/58/09/61/168580961.db2.gz JORRCOAZDNYPNS-DTWKUNHWSA-N 0 0 196.246 1.500 10 0 ADAERN C[C@H](O)CNc1ccc(F)cc1 32006548 168580995 /nfs/dbraw/zinc/58/09/95/168580995.db2.gz VJHLLZZGOCVEKU-ZETCQYMHSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@H](O)CNc1ccc(N)cc1F 35600266 168581099 /nfs/dbraw/zinc/58/10/99/168581099.db2.gz AADIXIWIFFEBHQ-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C[C@H](O)COc1cccc(N)c1 38055346 168581234 /nfs/dbraw/zinc/58/12/34/168581234.db2.gz KVQWDESDQSPHET-ZETCQYMHSA-N 0 0 167.208 1.028 10 0 ADAERN C[C@H](O)COc1ccccc1N 38056105 168581263 /nfs/dbraw/zinc/58/12/63/168581263.db2.gz BKZSDZGUUANIRT-ZETCQYMHSA-N 0 0 167.208 1.028 10 0 ADAERN C[C@H](O)CNc1ccccc1F 32006544 168581535 /nfs/dbraw/zinc/58/15/35/168581535.db2.gz HTNGZCRVUWGNNU-ZETCQYMHSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@H](O)CSc1ccc(N)cc1 37688079 168581616 /nfs/dbraw/zinc/58/16/16/168581616.db2.gz OZDJMLZLOOTMDT-ZETCQYMHSA-N 0 0 183.276 1.742 10 0 ADAERN C[C@H](O)C[C@H]1CCCCC1=O 59200399 168581665 /nfs/dbraw/zinc/58/16/65/168581665.db2.gz VMWTXOSUKXSJAW-JGVFFNPUSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@H](O)COc1ccc([C@H](C)O)cc1 37688143 168581931 /nfs/dbraw/zinc/58/19/31/168581931.db2.gz DPTPPYMDHZULCW-IUCAKERBSA-N 0 0 196.246 1.500 10 0 ADAERN C[C@H](O)CSc1ccccc1N 34154255 168582199 /nfs/dbraw/zinc/58/21/99/168582199.db2.gz AYCWVEJQUQFLQD-ZETCQYMHSA-N 0 0 183.276 1.742 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccccc1 39318665 168582558 /nfs/dbraw/zinc/58/25/58/168582558.db2.gz MCZAUSRZWTZVDL-DTWKUNHWSA-N 0 0 166.220 1.835 10 0 ADAERN C[C@H](O)[C@@H](O)c1ccccc1 2039192 168582594 /nfs/dbraw/zinc/58/25/94/168582594.db2.gz MZQZXSHFWDHNOW-IONNQARKSA-N 0 0 152.193 1.101 10 0 ADAERN C[C@H](O)Cc1nc(C(C)(C)C)no1 82430292 168582596 /nfs/dbraw/zinc/58/25/96/168582596.db2.gz BDVSDKZGFXQASB-LURJTMIESA-N 0 0 184.239 1.290 10 0 ADAERN C[C@H](O)[C@@H](C)C(=O)OC(C)(C)C 34133893 168582762 /nfs/dbraw/zinc/58/27/62/168582762.db2.gz LAIIJUKPDBKJGO-RQJHMYQMSA-N 0 0 174.240 1.345 10 0 ADAERN C[C@H](O)[C@@H]1CCCSC1 96861971 168583012 /nfs/dbraw/zinc/58/30/12/168583012.db2.gz ZPSFYRMVPVRUNA-NKWVEPMBSA-N 0 0 146.255 1.510 10 0 ADAERN C[C@H](O)Nc1ccc(CF)cc1 22002170 168583151 /nfs/dbraw/zinc/58/31/51/168583151.db2.gz UYZBCKIODDRBLG-ZETCQYMHSA-N 0 0 169.199 1.906 10 0 ADAERN C[C@H](O)Nc1ccco1 103282187 168583366 /nfs/dbraw/zinc/58/33/66/168583366.db2.gz XDPRLOWTVYRWDO-YFKPBYRVSA-N 0 0 127.143 1.030 10 0 ADAERN C[C@H](O)Cc1occc1C=O 75540693 168583632 /nfs/dbraw/zinc/58/36/32/168583632.db2.gz GPYMKVSCBQZGFQ-LURJTMIESA-N 0 0 154.165 1.015 10 0 ADAERN C[C@H](O)[C@H]1CCCOCC1 82839739 168584187 /nfs/dbraw/zinc/58/41/87/168584187.db2.gz UBFKCIYFOXRMCB-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H](O)c1cc2ccccc2[nH]c1=O 11727809 168584254 /nfs/dbraw/zinc/58/42/54/168584254.db2.gz JWGLGAGTPKQFIH-ZETCQYMHSA-N 0 0 189.214 1.581 10 0 ADAERN C[C@H](O)c1c2c(nn1C)CCCC2 39343065 168584612 /nfs/dbraw/zinc/58/46/12/168584612.db2.gz DIJWYASWVYDENQ-ZETCQYMHSA-N 0 0 180.251 1.352 10 0 ADAERN C[C@H](O)[C@H]1C(=O)CCCC1(C)C 39246872 168585026 /nfs/dbraw/zinc/58/50/26/168585026.db2.gz QPROXJYCBAWLGK-CBAPKCEASA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H](O)c1cc(C(F)(F)F)nn1C 75853225 168585379 /nfs/dbraw/zinc/58/53/79/168585379.db2.gz HHJRVCLDVOOQDU-BYPYZUCNSA-N 0 0 194.156 1.492 10 0 ADAERN C[C@H](O)[C@H]1CCCSC1 96861973 168585562 /nfs/dbraw/zinc/58/55/62/168585562.db2.gz ZPSFYRMVPVRUNA-BQBZGAKWSA-N 0 0 146.255 1.510 10 0 ADAERN C[C@H](O)c1cc(F)ccc1N(C)C 35631452 168585592 /nfs/dbraw/zinc/58/55/92/168585592.db2.gz MIUZUDBHKKOMSU-ZETCQYMHSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@H](O)c1ccc(N)c(F)c1 58819701 168585808 /nfs/dbraw/zinc/58/58/08/168585808.db2.gz IUFOQUOOYWWNAR-YFKPBYRVSA-N 0 0 155.172 1.461 10 0 ADAERN C[C@H](O)c1ccc(N(C)C)c(N)c1 253571289 168585933 /nfs/dbraw/zinc/58/59/33/168585933.db2.gz OTSCWIOLSDKVGU-ZETCQYMHSA-N 0 0 180.251 1.388 10 0 ADAERN C[C@H](O)c1cccc(NC(N)=O)c1 35647203 168585961 /nfs/dbraw/zinc/58/59/61/168585961.db2.gz UYGDAQDMQAVYBF-LURJTMIESA-N 0 0 180.207 1.231 10 0 ADAERN C[C@H](O)c1ccc2c(c1)NC[C@@H](C)O2 74537735 168586179 /nfs/dbraw/zinc/58/61/79/168586179.db2.gz ARJTZRSXHUNVHG-SFYZADRCSA-N 0 0 193.246 1.933 10 0 ADAERN C[C@H](O)c1ccc2c(c1)[C@@H](C)C(=O)N2 104696064 168586196 /nfs/dbraw/zinc/58/61/96/168586196.db2.gz YVRRCKWGHHXNIK-RQJHMYQMSA-N 0 0 191.230 1.796 10 0 ADAERN C[C@H](O)c1nccn1C1CC1 75852883 168586505 /nfs/dbraw/zinc/58/65/05/168586505.db2.gz BWZAUCWDFXJSPP-LURJTMIESA-N 0 0 152.197 1.271 10 0 ADAERN C[C@H](O)c1nc2cccnc2[nH]1 39168225 168586550 /nfs/dbraw/zinc/58/65/50/168586550.db2.gz ZTUQNJBQRBINIX-YFKPBYRVSA-N 0 0 163.180 1.011 10 0 ADAERN C[C@H](O)c1ccns1 73657682 168586749 /nfs/dbraw/zinc/58/67/49/168586749.db2.gz IBQOBJBPEDHKFL-BYPYZUCNSA-N 0 0 129.184 1.196 10 0 ADAERN C[C@H](O)c1nc2cc(F)c(F)cc2[nH]1 55306082 168586789 /nfs/dbraw/zinc/58/67/89/168586789.db2.gz XOEJKVPKBGDPTF-BYPYZUCNSA-N 0 0 198.172 1.894 10 0 ADAERN C[C@H](O)c1ccc(N(C)C)c(F)c1 35631454 168587049 /nfs/dbraw/zinc/58/70/49/168587049.db2.gz PSLIVMZHOVUYSD-ZETCQYMHSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@H](O)c1cccc([C@H](C)O)c1 34477880 168587202 /nfs/dbraw/zinc/58/72/02/168587202.db2.gz JXGTYKDVCCARGA-YUMQZZPRSA-N 0 0 166.220 1.793 10 0 ADAERN C[C@H](O)c1ccc2ocnc2c1 41652542 168587237 /nfs/dbraw/zinc/58/72/37/168587237.db2.gz FTIYMCROWAXNLS-LURJTMIESA-N 0 0 163.176 1.881 10 0 ADAERN C[C@H](OC(=O)C=O)C(C)(C)C 75543467 168587400 /nfs/dbraw/zinc/58/74/00/168587400.db2.gz NVCAXWFJNLQSLR-LURJTMIESA-N 0 0 158.197 1.163 10 0 ADAERN C[C@H](OC(C)(C)C)C(N)=S 43515189 168587412 /nfs/dbraw/zinc/58/74/12/168587412.db2.gz OWPXYONAXQHUMD-YFKPBYRVSA-N 0 0 161.270 1.476 10 0 ADAERN C[C@H](OCC1CCOCC1)[C@@H](C)O 52156766 168587569 /nfs/dbraw/zinc/58/75/69/168587569.db2.gz IENIGBVJMMATQD-BDAKNGLRSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@H](ON)C(=O)c1ccccc1 77010281 168587642 /nfs/dbraw/zinc/58/76/42/168587642.db2.gz QMXQXSDTALKXLD-ZETCQYMHSA-N 0 0 165.192 1.148 10 0 ADAERN C[C@H](Oc1ccccc1F)C(N)=S 41209835 168587701 /nfs/dbraw/zinc/58/77/01/168587701.db2.gz LKUMAFCKYVPXPL-LURJTMIESA-N 0 0 199.250 1.879 10 0 ADAERN C[C@H](ON)c1ccc2c(c1)OCCO2 19728769 168588013 /nfs/dbraw/zinc/58/80/13/168588013.db2.gz QQKXKEVNEMDAIM-ZETCQYMHSA-N 0 0 195.218 1.409 10 0 ADAERN C[C@H](OCC(F)(F)F)C(N)=S 43514973 168588018 /nfs/dbraw/zinc/58/80/18/168588018.db2.gz VSPJQJDDLZJRQE-VKHMYHEASA-N 0 0 187.186 1.240 10 0 ADAERN C[C@H](OCC(F)(F)F)[C@@H](C)O 44192060 168588214 /nfs/dbraw/zinc/58/82/14/168588214.db2.gz XTZWUEVSUDFOGP-UHNVWZDZSA-N 0 0 172.146 1.335 10 0 ADAERN C[C@H](c1ccc(O)cc1)N(C)C(N)=O 38090317 168590210 /nfs/dbraw/zinc/59/02/10/168590210.db2.gz QKGTVOFGOKTYNL-SSDOTTSWSA-N 0 0 194.234 1.464 10 0 ADAERN C[C@H](c1ccc[nH]1)[NH+]1CC(C(=O)[O-])C1 95088939 168590289 /nfs/dbraw/zinc/59/02/89/168590289.db2.gz NHAUNLZVNRKIDE-SSDOTTSWSA-N 0 0 194.234 1.092 10 0 ADAERN C[C@H](c1cccnc1)N1CCC(=O)C1 35692125 168591122 /nfs/dbraw/zinc/59/11/22/168591122.db2.gz WQQBZHTZOSJZLK-SECBINFHSA-N 0 0 190.246 1.417 10 0 ADAERN C[C@H](c1ccccn1)n1nccc1N 19689378 168591244 /nfs/dbraw/zinc/59/12/44/168591244.db2.gz GDDGFCMZXSCMGW-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN C[C@H]1/C=C\C=C/[C@@H]2NC(=O)[C@@H]2/C=C\1 222393865 168591467 /nfs/dbraw/zinc/59/14/67/168591467.db2.gz GTYHSXXHJCAIMA-UXAVOPCNSA-N 0 0 175.231 1.419 10 0 ADAERN C[C@H](c1ccccc1)c1nnc(N)o1 49478438 168591497 /nfs/dbraw/zinc/59/14/97/168591497.db2.gz FCAVLOWSLFIEBL-SSDOTTSWSA-N 0 0 189.218 1.804 10 0 ADAERN C[C@H](c1ccccc1)[C@](C)([NH3+])C(=O)[O-] 34076296 168591498 /nfs/dbraw/zinc/59/14/98/168591498.db2.gz JIJODEXUWUVDAU-KCJUWKMLSA-N 0 0 193.246 1.592 10 0 ADAERN C[C@H](c1cccnc1)n1nccc1N 19689127 168591635 /nfs/dbraw/zinc/59/16/35/168591635.db2.gz CBEMBNHSHLRLFE-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN C[C@H](c1ccccc1)[C@@H](O)CO 34448823 168591794 /nfs/dbraw/zinc/59/17/94/168591794.db2.gz FAZRWYMHXGYVGX-SCZZXKLOSA-N 0 0 166.220 1.143 10 0 ADAERN C[C@H]1C(=O)NC=C1c1ccccc1 108944936 168592102 /nfs/dbraw/zinc/59/21/02/168592102.db2.gz YTWVJTXAZWDKNY-MRVPVSSYSA-N 0 0 173.215 1.793 10 0 ADAERN C[C@H]1C(=O)Nc2cccc3ncn1c23 95923817 168592261 /nfs/dbraw/zinc/59/22/61/168592261.db2.gz VRQSPYXESBSCQW-LURJTMIESA-N 0 0 187.202 1.549 10 0 ADAERN Cc1c(NN)[nH]c2ccccc2c1=O 38804408 168592337 /nfs/dbraw/zinc/59/23/37/168592337.db2.gz LYBQKGNNFTUOOF-LURJTMIESA-N 0 0 189.218 1.012 10 0 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MDIPDZRJAUWDCJ-UHFFFAOYSA-N 0 0 167.212 1.342 10 0 ADAERN Cc1c(C(=O)[O-])[nH]c2c1[C@H]([NH3+])CCC2 82387311 168705412 /nfs/dbraw/zinc/70/54/12/168705412.db2.gz ALSQRGZUHKYOAJ-ZCFIWIBFSA-N 0 0 194.234 1.357 10 0 ADAERN Cc1c(-c2ccncc2)noc1N 26512700 168705830 /nfs/dbraw/zinc/70/58/30/168705830.db2.gz IOHAQDNEYAZGMK-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1c(C=O)cc(C=O)c(C)c1C=O 75579540 168706790 /nfs/dbraw/zinc/70/67/90/168706790.db2.gz NZZHWCFIWXFBHP-UHFFFAOYSA-N 0 0 190.198 1.741 10 0 ADAERN Cc1c(C2CC2)noc1N 34976034 168707104 /nfs/dbraw/zinc/70/71/04/168707104.db2.gz RLHVIKQBZGUVSW-UHFFFAOYSA-N 0 0 138.170 1.443 10 0 ADAERN Cc1c(C)c2c(c(C)c1N)OCCN2 62521727 168707274 /nfs/dbraw/zinc/70/72/74/168707274.db2.gz OWSARISKRNMZIP-UHFFFAOYSA-N 0 0 192.262 1.998 10 0 ADAERN Cc1c(C=O)ccc2c1OCO2 82404408 168707293 /nfs/dbraw/zinc/70/72/93/168707293.db2.gz UTICFRCFBMQTEH-UHFFFAOYSA-N 0 0 164.160 1.536 10 0 ADAERN Cc1c(C(C)C)ccc[n+]1[O-] 39059221 168707323 /nfs/dbraw/zinc/70/73/23/168707323.db2.gz HFYXLYIBOCMSFZ-UHFFFAOYSA-N 0 0 151.209 1.752 10 0 ADAERN Cc1c(C)c(C)n(CC(N)=O)c1C 148761720 168707326 /nfs/dbraw/zinc/70/73/26/168707326.db2.gz PSUGOPPVICOXEL-UHFFFAOYSA-N 0 0 180.251 1.207 10 0 ADAERN Cc1c(C)c(O)c(C=O)c(C=O)c1O 27708359 168707702 /nfs/dbraw/zinc/70/77/02/168707702.db2.gz QBGSYEUMUSQXPP-UHFFFAOYSA-N 0 0 194.186 1.340 10 0 ADAERN Cc1c(C)c(N)c2c(cnn2O)c1N 89200690 168707740 /nfs/dbraw/zinc/70/77/40/168707740.db2.gz PZMURDSHZAYBNB-UHFFFAOYSA-N 0 0 192.222 1.055 10 0 ADAERN Cc1c(C(F)(F)F)ncn1C 39081976 168707986 /nfs/dbraw/zinc/70/79/86/168707986.db2.gz TXJRILRRKGBLDT-UHFFFAOYSA-N 0 0 164.130 1.747 10 0 ADAERN Cc1c(C=O)nnn1CC(C)C 62300477 168708281 /nfs/dbraw/zinc/70/82/81/168708281.db2.gz GWXLWCILHNBCJW-UHFFFAOYSA-N 0 0 167.212 1.055 10 0 ADAERN Cc1c(C=O)cnn1[C@H](C)C1CC1 42355316 168708310 /nfs/dbraw/zinc/70/83/10/168708310.db2.gz NCYAPNUTABNFRP-SSDOTTSWSA-N 0 0 178.235 1.975 10 0 ADAERN Cc1c(C=O)cnn1CC(C)C 20314616 168708408 /nfs/dbraw/zinc/70/84/08/168708408.db2.gz UQGZGOLSODCQDS-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN Cc1c(C=O)cncc1OC1CC1 95741644 168709620 /nfs/dbraw/zinc/70/96/20/168709620.db2.gz UQIZUPONXHRBAM-UHFFFAOYSA-N 0 0 177.203 1.744 10 0 ADAERN Cc1c(C=O)csc1C=O 39062641 168709633 /nfs/dbraw/zinc/70/96/33/168709633.db2.gz FTKHLOBMGPBGJD-UHFFFAOYSA-N 0 0 154.190 1.682 10 0 ADAERN Cc1c(CC(C)C)noc1N 36937148 168709785 /nfs/dbraw/zinc/70/97/85/168709785.db2.gz FPWLIQLLFRSRSV-UHFFFAOYSA-N 0 0 154.213 1.764 10 0 ADAERN Cc1c(Cl)cccc1[C@H]([NH3+])C(=O)[O-] 72191163 168710411 /nfs/dbraw/zinc/71/04/11/168710411.db2.gz LRGXMEQXHIIPPF-QMMMGPOBSA-N 0 0 199.637 1.733 10 0 ADAERN Cc1c(CON)c2ccccc2n1C 76634461 168711266 /nfs/dbraw/zinc/71/12/66/168711266.db2.gz IDDZPCSPOGKYFJ-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN Cc1c(CO)oc2c1[C@@H](O)CCC2 57348766 168711293 /nfs/dbraw/zinc/71/12/93/168711293.db2.gz WAOLXOQXXWZTJL-ZETCQYMHSA-N 0 0 182.219 1.450 10 0 ADAERN Cc1c(F)cccc1NC[C@H](C)O 43320908 168711980 /nfs/dbraw/zinc/71/19/80/168711980.db2.gz PJRWJSCNGPIWIB-ZETCQYMHSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1c(N)c(-c2cccn2C)nn1C 77275435 168712028 /nfs/dbraw/zinc/71/20/28/168712028.db2.gz BPHALYLUQUXKRO-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN Cc1c(N)c(=O)n([C@@H](C)C2CC2)n1C 40932217 168712305 /nfs/dbraw/zinc/71/23/05/168712305.db2.gz MTZNOTUNYIQGFP-LURJTMIESA-N 0 0 195.266 1.048 10 0 ADAERN Cc1c(F)c(N)cc(F)c1F 34335999 168712364 /nfs/dbraw/zinc/71/23/64/168712364.db2.gz IQAXTTBBFAQERT-UHFFFAOYSA-N 0 0 161.126 1.995 10 0 ADAERN Cc1c(F)ccc2c(NN)ccnc12 51152006 168712418 /nfs/dbraw/zinc/71/24/18/168712418.db2.gz JNNGVHMFBOCPKU-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1c(F)cccc1/C=C\C(N)=O 44261978 168712896 /nfs/dbraw/zinc/71/28/96/168712896.db2.gz INIGQVPBJKPPLJ-WAYWQWQTSA-N 0 0 179.194 1.633 10 0 ADAERN Cc1c(F)cc(F)c(N)c1F 75926526 168713236 /nfs/dbraw/zinc/71/32/36/168713236.db2.gz PIQFVDJXWHJJLC-UHFFFAOYSA-N 0 0 161.126 1.995 10 0 ADAERN Cc1c(N)c(-c2cccnc2)nn1C 77274150 168713325 /nfs/dbraw/zinc/71/33/25/168713325.db2.gz YVXUNTXXFULTEL-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1c(N)[nH]n(-c2ccccc2)c1=O 106156561 168713504 /nfs/dbraw/zinc/71/35/04/168713504.db2.gz KZEJKBCYXHOAQN-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN Cc1c(N)cccc1Cn1cncn1 35649178 168713597 /nfs/dbraw/zinc/71/35/97/168713597.db2.gz PLQJZPFJKNVXHC-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1c(N)cnn1[C@H](C)C1CC1 42356177 168713656 /nfs/dbraw/zinc/71/36/56/168713656.db2.gz AFZUYVUPMJKGOU-ZCFIWIBFSA-N 0 0 165.240 1.745 10 0 ADAERN Cc1c(N)cccc1-c1ncno1 61857350 168713842 /nfs/dbraw/zinc/71/38/42/168713842.db2.gz CLXDLODJYATZTH-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1c(N)ccc2c(=O)[nH]ccc12 39276051 168714006 /nfs/dbraw/zinc/71/40/06/168714006.db2.gz HREHFGWMMVPDJB-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN Cc1c(N)cnn1-c1cccc(F)c1 42356183 168714111 /nfs/dbraw/zinc/71/41/11/168714111.db2.gz NVXYTMSYCXWZFU-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1c(N)cccc1-c1nnc(N)o1 82530317 168714121 /nfs/dbraw/zinc/71/41/21/168714121.db2.gz HJFRSQZBYMKGCU-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN Cc1c(N)cccc1N(C)C[C@@H](C)O 62725415 168714178 /nfs/dbraw/zinc/71/41/78/168714178.db2.gz YWAGPIPQTHIYBB-MRVPVSSYSA-N 0 0 194.278 1.394 10 0 ADAERN Cc1c(N)ccc2nccnc12 34760985 168714202 /nfs/dbraw/zinc/71/42/02/168714202.db2.gz KRCPPRKQPSSVOT-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN Cc1c(N)cc(N)c(C)c1N 33637128 168714210 /nfs/dbraw/zinc/71/42/10/168714210.db2.gz GKZWSNRSZYTGJU-UHFFFAOYSA-N 0 0 151.213 1.050 10 0 ADAERN Cc1c(N)c(C(C)C)nn1C 39103203 168714226 /nfs/dbraw/zinc/71/42/26/168714226.db2.gz FEIWTQHYYRABGT-UHFFFAOYSA-N 0 0 153.229 1.434 10 0 ADAERN Cc1c[nH]cc1C(=O)N1CCCO1 307075610 168720115 /nfs/dbraw/zinc/72/01/15/168720115.db2.gz FFPPOAPJCYENDQ-UHFFFAOYSA-N 0 0 180.207 1.101 10 0 ADAERN Cc1c[nH]c2c1CCC2=O 18741610 168720302 /nfs/dbraw/zinc/72/03/02/168720302.db2.gz SAPKGUNIXUNZBK-UHFFFAOYSA-N 0 0 135.166 1.452 10 0 ADAERN Cc1c[nH]c2c(F)cccc2c1=O 71489929 168720453 /nfs/dbraw/zinc/72/04/53/168720453.db2.gz DTNFFKXPEZLZPD-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN Cc1cc(-c2ccc[nH]2)on1 1653628 168721633 /nfs/dbraw/zinc/72/16/33/168721633.db2.gz RDYWXDGLHVIVTL-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN Cc1cc(-c2cc[nH]c2)nc(N)n1 71496800 168721989 /nfs/dbraw/zinc/72/19/89/168721989.db2.gz ZDOPRVOPNUSRGY-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1c[nH]cc1C(=O)N1C[C@H](C)[C@H]1C 336230647 168722302 /nfs/dbraw/zinc/72/23/02/168722302.db2.gz IPJCRHIKXVHTFI-DTWKUNHWSA-N 0 0 192.262 1.804 10 0 ADAERN Cc1cc(-c2n[nH]nc2C)on1 32203619 168723199 /nfs/dbraw/zinc/72/31/99/168723199.db2.gz HDJQZLZRTJMKAR-UHFFFAOYSA-N 0 0 164.168 1.077 10 0 ADAERN Cc1cc(-n2ncnc2C)ccc1N 82655688 168723219 /nfs/dbraw/zinc/72/32/19/168723219.db2.gz KOGAYWAZKNLUKM-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cc(-c2n[nH]c(C)c2N)c(C)[nH]1 77275432 168723452 /nfs/dbraw/zinc/72/34/52/168723452.db2.gz IQISGYRBEXTXNQ-UHFFFAOYSA-N 0 0 190.250 1.912 10 0 ADAERN Cc1cc(C2N=NC(=S)N2)c(C)o1 36948351 168723481 /nfs/dbraw/zinc/72/34/81/168723481.db2.gz BMFIRMHWHXYFRP-UHFFFAOYSA-N 0 0 195.247 1.970 10 0 ADAERN Cc1cc(-c2cnoc2N)c(C)[nH]1 77266700 168723501 /nfs/dbraw/zinc/72/35/01/168723501.db2.gz CLXJQVSQIJUCAX-UHFFFAOYSA-N 0 0 177.207 1.869 10 0 ADAERN Cc1cc(-c2cnco2)no1 39123973 168723941 /nfs/dbraw/zinc/72/39/41/168723941.db2.gz SVKAZAWTQZTUNE-UHFFFAOYSA-N 0 0 150.137 1.638 10 0 ADAERN Cc1cc(-c2n[nH]c(C3CC3)n2)on1 44586756 168724100 /nfs/dbraw/zinc/72/41/00/168724100.db2.gz SYUNOBVWIZQMNP-UHFFFAOYSA-N 0 0 190.206 1.646 10 0 ADAERN Cc1cc(-c2ncno2)ccc1N 40454055 168724332 /nfs/dbraw/zinc/72/43/32/168724332.db2.gz SQWVBFLDVQSHSX-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1cc(-c2nc(N)n[nH]2)c(C)o1 19276128 168724546 /nfs/dbraw/zinc/72/45/46/168724546.db2.gz SHSWSLMGXPOCEN-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN Cc1nc(-c2nonc2N)cs1 73733826 168930157 /nfs/dbraw/zinc/93/01/57/168930157.db2.gz WNIGPAPNJUYUOY-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1cc(-c2cnoc2N)c(C)n1C 77276209 168724630 /nfs/dbraw/zinc/72/46/30/168724630.db2.gz ZZVOPGJYBBULLW-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN Cc1cc(=O)[nH]c2c1C(=O)CCC2 39261656 168725315 /nfs/dbraw/zinc/72/53/15/168725315.db2.gz XPZFYNGHMRAKQO-UHFFFAOYSA-N 0 0 177.203 1.202 10 0 ADAERN Cc1cc(=O)[nH]c2ccccc2c1=O 13536072 168725560 /nfs/dbraw/zinc/72/55/60/168725560.db2.gz SJARJWKVXMIEKU-UHFFFAOYSA-N 0 0 187.198 1.197 10 0 ADAERN Cc1cc(C(=O)C=O)c(C)n1C 77261605 168730074 /nfs/dbraw/zinc/73/00/74/168730074.db2.gz WQEFDELEZYIHGT-UHFFFAOYSA-N 0 0 165.192 1.024 10 0 ADAERN Cc1cc(C(=O)N2[C@@H](C)C[C@@H]2C)no1 336065019 168731010 /nfs/dbraw/zinc/73/10/10/168731010.db2.gz AGLXMOWYCXDDQR-BQBZGAKWSA-N 0 0 194.234 1.606 10 0 ADAERN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)co1 335841933 168731104 /nfs/dbraw/zinc/73/11/04/168731104.db2.gz PYRVDLBDGYWHHI-VXNVDRBHSA-N 0 0 193.246 1.974 10 0 ADAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)no1 336388958 168731116 /nfs/dbraw/zinc/73/11/16/168731116.db2.gz LVHHQUHVKBRDGO-HTRCEHHLSA-N 0 0 194.234 1.463 10 0 ADAERN Cc1cc(C(=O)NC(C)C)c(N)s1 104423257 168731310 /nfs/dbraw/zinc/73/13/10/168731310.db2.gz QCOVRKJUMBSWTE-UHFFFAOYSA-N 0 0 198.291 1.777 10 0 ADAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)no1 336388960 168731486 /nfs/dbraw/zinc/73/14/86/168731486.db2.gz LVHHQUHVKBRDGO-SVRRBLITSA-N 0 0 194.234 1.463 10 0 ADAERN Cc1cc(C(=O)N(C)C(C)C)cnn1 334313302 168731651 /nfs/dbraw/zinc/73/16/51/168731651.db2.gz NGPJSSQAEZYGNT-UHFFFAOYSA-N 0 0 193.250 1.265 10 0 ADAERN Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)on1 334960669 168731788 /nfs/dbraw/zinc/73/17/88/168731788.db2.gz USHGKEIRGWGECU-HTRCEHHLSA-N 0 0 194.234 1.463 10 0 ADAERN Cc1cc(C(=O)N2CC(C)C2)ccn1 335366739 168731900 /nfs/dbraw/zinc/73/19/00/168731900.db2.gz JNKPPUCGLGFMDX-UHFFFAOYSA-N 0 0 190.246 1.482 10 0 ADAERN Cc1cc(C(=O)NCC(C)C)cnn1 336501368 168731937 /nfs/dbraw/zinc/73/19/37/168731937.db2.gz BZWNDLKJTMARGU-UHFFFAOYSA-N 0 0 193.250 1.171 10 0 ADAERN Cc1cc(C(=O)N2[C@@H](C)C[C@@H]2C)on1 335883022 168732008 /nfs/dbraw/zinc/73/20/08/168732008.db2.gz MYRSZZIMPSMSPW-YUMQZZPRSA-N 0 0 194.234 1.606 10 0 ADAERN Cc1cc(C(=O)N(C)C)c(N)s1 104423334 168732194 /nfs/dbraw/zinc/73/21/94/168732194.db2.gz IQXNWXAGLNFGFQ-UHFFFAOYSA-N 0 0 184.264 1.341 10 0 ADAERN Cc1cc(C(=O)N2CCCN2)c(C)o1 307193382 168732219 /nfs/dbraw/zinc/73/22/19/168732219.db2.gz GIMNGVJENSRHNN-UHFFFAOYSA-N 0 0 194.234 1.247 10 0 ADAERN Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)no1 336388961 168732275 /nfs/dbraw/zinc/73/22/75/168732275.db2.gz LVHHQUHVKBRDGO-XPUUQOCRSA-N 0 0 194.234 1.463 10 0 ADAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)ns1 306692064 168732583 /nfs/dbraw/zinc/73/25/83/168732583.db2.gz OUHSVOWZPHCJCF-VDTYLAMSSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1cc(C)c(OCCCO)c(N)c1 50441866 168740561 /nfs/dbraw/zinc/74/05/61/168740561.db2.gz UFBJENBABBMGJU-UHFFFAOYSA-N 0 0 195.262 1.647 10 0 ADAERN Cc1cc(C)c2c(c1C)NC(=O)CO2 62520890 168741075 /nfs/dbraw/zinc/74/10/75/168741075.db2.gz CDMPKHNQXQVWPN-UHFFFAOYSA-N 0 0 191.230 1.943 10 0 ADAERN Cc1cc(C)c2c(c1)N[C@@H](CO)C2 90728508 168741211 /nfs/dbraw/zinc/74/12/11/168741211.db2.gz MYYYYZFTTOYJTP-SECBINFHSA-N 0 0 177.247 1.632 10 0 ADAERN Cc1cc(C)c2c(c1)OC[C@@H](N)C2=O 82889408 168741342 /nfs/dbraw/zinc/74/13/42/168741342.db2.gz LIAVICFTYUZHEK-MRVPVSSYSA-N 0 0 191.230 1.206 10 0 ADAERN Cc1cc(C)c2c(c1)CC(=O)O2 36458770 168741523 /nfs/dbraw/zinc/74/15/23/168741523.db2.gz ZEUKRNQKSDSVFC-UHFFFAOYSA-N 0 0 162.188 1.765 10 0 ADAERN Cc1cc(C)c2c(c1)NC[C@@H](CO)C2 11633102 168741727 /nfs/dbraw/zinc/74/17/27/168741727.db2.gz KKJDURFUOPEMIN-JTQLQIEISA-N 0 0 191.274 1.880 10 0 ADAERN Cc1cc(C)c2c(c1)OCC(=O)N2 62519549 168742273 /nfs/dbraw/zinc/74/22/73/168742273.db2.gz FMTVAUWLQIKOIS-UHFFFAOYSA-N 0 0 177.203 1.634 10 0 ADAERN Cc1cc(C)cc(/C=C\C(N)=O)c1 44259250 168742608 /nfs/dbraw/zinc/74/26/08/168742608.db2.gz VEIMOBIMAMPVFD-ARJAWSKDSA-N 0 0 175.231 1.802 10 0 ADAERN Cc1cc(C)c2nc(CN)oc2c1 62519481 168742796 /nfs/dbraw/zinc/74/27/96/168742796.db2.gz YPWADWXMKVHZBC-UHFFFAOYSA-N 0 0 176.219 1.903 10 0 ADAERN Cc1cc(C)c2c(c1N)OCCN2 62519981 168743000 /nfs/dbraw/zinc/74/30/00/168743000.db2.gz QMGSOEGEUTYTEQ-UHFFFAOYSA-N 0 0 178.235 1.690 10 0 ADAERN Cc1cc(C)c2onc(CCO)c2c1 31887500 168743156 /nfs/dbraw/zinc/74/31/56/168743156.db2.gz OBNPQYJRWQXTGX-UHFFFAOYSA-N 0 0 191.230 1.979 10 0 ADAERN Cc1cc(C)c2[nH]c(=NN)oc2c1 62519640 168743266 /nfs/dbraw/zinc/74/32/66/168743266.db2.gz DEQVMDKVHZWSIY-UHFFFAOYSA-N 0 0 177.207 1.730 10 0 ADAERN Cc1cc(C)cc(-c2nonc2N)c1 53749951 168743749 /nfs/dbraw/zinc/74/37/49/168743749.db2.gz LKGVIDDVMOAWFW-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1cc(C)c2nc(N)n(C)c2n1 5160192 168743985 /nfs/dbraw/zinc/74/39/85/168743985.db2.gz LJWIZYWODOIFBN-UHFFFAOYSA-N 0 0 176.223 1.167 10 0 ADAERN Cc1cc(C)cc([C@@H](O)CCO)c1 143464611 168744475 /nfs/dbraw/zinc/74/44/75/168744475.db2.gz IEDYPHVLGZOFOL-NSHDSACASA-N 0 0 180.247 1.719 10 0 ADAERN Cc1cc(C)cc(OCC(N)=S)c1 5592659 168744963 /nfs/dbraw/zinc/74/49/63/168744963.db2.gz CMQOGVBKULFJIW-UHFFFAOYSA-N 0 0 195.287 1.968 10 0 ADAERN Cc1cc(C)cc([C@H](O)CCO)c1 143464394 168745178 /nfs/dbraw/zinc/74/51/78/168745178.db2.gz IEDYPHVLGZOFOL-LLVKDONJSA-N 0 0 180.247 1.719 10 0 ADAERN Cc1cc(C)cc(OC(=O)[C@H](C)N)c1 49807148 168745227 /nfs/dbraw/zinc/74/52/27/168745227.db2.gz FORCZBZVMVREAZ-VIFPVBQESA-N 0 0 193.246 1.556 10 0 ADAERN Cc1cc(C)cc(NNC(N)=S)c1 71507220 168745468 /nfs/dbraw/zinc/74/54/68/168745468.db2.gz NOBOBVWWPWSEDT-UHFFFAOYSA-N 0 0 195.291 1.464 10 0 ADAERN Cc1cc(C)cc(OCCNN)c1 19167939 168745550 /nfs/dbraw/zinc/74/55/50/168745550.db2.gz ZXLLQXPDBVUNBP-UHFFFAOYSA-N 0 0 180.251 1.146 10 0 ADAERN Cc1cc(C)cc(CON)c1 39090845 168745683 /nfs/dbraw/zinc/74/56/83/168745683.db2.gz OKYHIWOJBWVJTN-UHFFFAOYSA-N 0 0 151.209 1.694 10 0 ADAERN Cc1cc(C)cc(N(C)N)c1 41167118 168746050 /nfs/dbraw/zinc/74/60/50/168746050.db2.gz CVGJTYWQSWNEAK-UHFFFAOYSA-N 0 0 150.225 1.613 10 0 ADAERN Cc1cc(C)n(CC[C@@H](C)O)n1 44181154 168746300 /nfs/dbraw/zinc/74/63/00/168746300.db2.gz XRFYXSYUOKXHST-SECBINFHSA-N 0 0 168.240 1.271 10 0 ADAERN Cc1cc(C)n(CCCC(N)=S)n1 19503837 168746539 /nfs/dbraw/zinc/74/65/39/168746539.db2.gz IRPHIGTZIPRBDG-UHFFFAOYSA-N 0 0 197.307 1.566 10 0 ADAERN Cc1cc(C)n([C@H](C)C(N)=S)n1 43514798 168746953 /nfs/dbraw/zinc/74/69/53/168746953.db2.gz NAITWNCZQCNMGJ-SSDOTTSWSA-N 0 0 183.280 1.347 10 0 ADAERN Cc1cc(C)n([C@@H](C)[C@@H](C)O)n1 44181182 168747066 /nfs/dbraw/zinc/74/70/66/168747066.db2.gz QSZQNOVVHPSBDJ-DTWKUNHWSA-N 0 0 168.240 1.442 10 0 ADAERN Cc1cc(C)n([C@H](C)C(=O)N(C)C)n1 41367339 168747164 /nfs/dbraw/zinc/74/71/64/168747164.db2.gz HUOJZTDIOGATAL-SECBINFHSA-N 0 0 195.266 1.149 10 0 ADAERN Cc1cc(C)n(Cc2ccn(C)n2)n1 124471322 168747591 /nfs/dbraw/zinc/74/75/91/168747591.db2.gz DACDLROKSRRXBJ-UHFFFAOYSA-N 0 0 190.250 1.282 10 0 ADAERN Cc1cc(C)nc(F)n1 34734131 168748461 /nfs/dbraw/zinc/74/84/61/168748461.db2.gz JQWBTFGGAKGQPA-UHFFFAOYSA-N 0 0 126.134 1.233 10 0 ADAERN Cc1cc(C)n2ncc(C)c2n1 60090339 168748689 /nfs/dbraw/zinc/74/86/89/168748689.db2.gz SBRLSFLXAOFBDJ-UHFFFAOYSA-N 0 0 161.208 1.655 10 0 ADAERN Cc1cc(C)nc(CNC2CC2)n1 70949043 168748691 /nfs/dbraw/zinc/74/86/91/168748691.db2.gz PUODDEOTDILRNC-UHFFFAOYSA-N 0 0 177.251 1.345 10 0 ADAERN Cc1cc(C)nc(NC=O)c1 39123514 168749035 /nfs/dbraw/zinc/74/90/35/168749035.db2.gz RHMCGZLCPIWLMV-UHFFFAOYSA-N 0 0 150.181 1.267 10 0 ADAERN Cc1cc(C)nc(N[C@H]2C[C@@H]2C)n1 52291330 168749265 /nfs/dbraw/zinc/74/92/65/168749265.db2.gz DOEJUQFBKUZCCL-RCOVLWMOSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cc(C)nc(N[C@H]2C[C@H]2C)n1 52291334 168749449 /nfs/dbraw/zinc/74/94/49/168749449.db2.gz DOEJUQFBKUZCCL-MUWHJKNJSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cc(C)nc(-n2cccn2)n1 35728266 168749500 /nfs/dbraw/zinc/74/95/00/168749500.db2.gz DMMRKKFVTQQGJP-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN Cc1cc(C)nc(N[C@@H]2C[C@@H]2C)n1 52291327 168749611 /nfs/dbraw/zinc/74/96/11/168749611.db2.gz DOEJUQFBKUZCCL-IMTBSYHQSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cc(C)nc(-n2ccc(C)n2)n1 70688458 168749665 /nfs/dbraw/zinc/74/96/65/168749665.db2.gz PWGQAWOLJCIBDU-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN Cc1cc(C)n2ncc(F)c2n1 59917497 168749896 /nfs/dbraw/zinc/74/98/96/168749896.db2.gz KLXSRSDIZDYRLB-UHFFFAOYSA-N 0 0 165.171 1.485 10 0 ADAERN Cc1cc(C=O)n(C2CC2)n1 95774215 168750254 /nfs/dbraw/zinc/75/02/54/168750254.db2.gz YNJQCLGMEUKKBA-UHFFFAOYSA-N 0 0 150.181 1.339 10 0 ADAERN Cc1cc(C=O)ncc1F 95763813 168750399 /nfs/dbraw/zinc/75/03/99/168750399.db2.gz KZRFTMUHSVGEDK-UHFFFAOYSA-N 0 0 139.129 1.342 10 0 ADAERN Cc1cc(C=O)c2nc(N)sc2c1 45236954 168750408 /nfs/dbraw/zinc/75/04/08/168750408.db2.gz AVPMGGJAVCEZFX-UHFFFAOYSA-N 0 0 192.243 1.999 10 0 ADAERN Cc1cc(C2CC2)nc(C)n1 39052812 168750412 /nfs/dbraw/zinc/75/04/12/168750412.db2.gz SXDHHHOVGHQMHO-UHFFFAOYSA-N 0 0 148.209 1.971 10 0 ADAERN Cc1cc(C=O)n2c1CCC2 39061895 168750428 /nfs/dbraw/zinc/75/04/28/168750428.db2.gz GEXWEWFFCAYCNI-UHFFFAOYSA-N 0 0 149.193 1.555 10 0 ADAERN Cc1cc(C=O)cc2cnn(C)c12 87493379 168750436 /nfs/dbraw/zinc/75/04/36/168750436.db2.gz MKVAAYFITPHMIK-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN Cc1cc(C=O)cnc1C=O 35569761 168750669 /nfs/dbraw/zinc/75/06/69/168750669.db2.gz LJBGTBWCSPHAEB-UHFFFAOYSA-N 0 0 149.149 1.015 10 0 ADAERN Cc1cc(C=O)c(Cl)n1C 82405792 168750883 /nfs/dbraw/zinc/75/08/83/168750883.db2.gz KHBQPRKVWBFDBA-UHFFFAOYSA-N 0 0 157.600 1.799 10 0 ADAERN Cc1cc(C2=NCCO2)ccc1O 34133847 168750969 /nfs/dbraw/zinc/75/09/69/168750969.db2.gz ZCGLLZCRYDFYHI-UHFFFAOYSA-N 0 0 177.203 1.477 10 0 ADAERN Cc1cc(C=O)c2c(c1)CCO2 75545341 168750994 /nfs/dbraw/zinc/75/09/94/168750994.db2.gz RDLJKDWMEZJRMO-UHFFFAOYSA-N 0 0 162.188 1.742 10 0 ADAERN Cc1cc(C=O)co1 4208884 168751027 /nfs/dbraw/zinc/75/10/27/168751027.db2.gz YEXWWHZOVRNTOY-UHFFFAOYSA-N 0 0 110.112 1.401 10 0 ADAERN Cc1cc(C=O)cc(C=O)n1 39061884 168751182 /nfs/dbraw/zinc/75/11/82/168751182.db2.gz ITOFJNAGSQYEHW-UHFFFAOYSA-N 0 0 149.149 1.015 10 0 ADAERN Cc1cc(C=O)cc2c[nH]nc12 39060496 168751385 /nfs/dbraw/zinc/75/13/85/168751385.db2.gz GJZLKBBRMQSNKG-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN Cc1cc(C=O)nc(C)c1N 39048577 168751607 /nfs/dbraw/zinc/75/16/07/168751607.db2.gz PUIIZLMQXCKJHF-UHFFFAOYSA-N 0 0 150.181 1.093 10 0 ADAERN Cc1cc(C=O)nc(C)c1C 95768202 168751648 /nfs/dbraw/zinc/75/16/48/168751648.db2.gz WCRFDOJQFIEYGY-UHFFFAOYSA-N 0 0 149.193 1.819 10 0 ADAERN Cc1cc(C=O)ncc1C=O 35569799 168751666 /nfs/dbraw/zinc/75/16/66/168751666.db2.gz UBSDHQGLHONZFU-UHFFFAOYSA-N 0 0 149.149 1.015 10 0 ADAERN Cc1cc(C=O)nc(CF)c1 39062353 168751706 /nfs/dbraw/zinc/75/17/06/168751706.db2.gz VPDHSXHEKPHZJS-UHFFFAOYSA-N 0 0 153.156 1.672 10 0 ADAERN Cc1cc(CCO)ccc1N(C)C 71498016 168751889 /nfs/dbraw/zinc/75/18/89/168751889.db2.gz GQLJWSIBCSZKMB-UHFFFAOYSA-N 0 0 179.263 1.596 10 0 ADAERN Cc1cc(CCO)c(C)n1C 82587555 168752086 /nfs/dbraw/zinc/75/20/86/168752086.db2.gz NSKDNCCETAGDNO-UHFFFAOYSA-N 0 0 153.225 1.177 10 0 ADAERN Cc1cc(CCCCO)on1 45813964 168752719 /nfs/dbraw/zinc/75/27/19/168752719.db2.gz KBSAGQIACMZRTA-UHFFFAOYSA-N 0 0 155.197 1.298 10 0 ADAERN Cc1cc(CN2CC[C@@H](F)C2)no1 336259442 168753714 /nfs/dbraw/zinc/75/37/14/168753714.db2.gz AWXJGUZAXWOQLI-MRVPVSSYSA-N 0 0 184.214 1.527 10 0 ADAERN Cc1cc(CN(O)C(N)=O)c(C)o1 13762852 168753904 /nfs/dbraw/zinc/75/39/04/168753904.db2.gz QKCSKSHHLYJUBY-UHFFFAOYSA-N 0 0 184.195 1.166 10 0 ADAERN Cc1cc(CN2CC(F)C2)no1 334558499 168754262 /nfs/dbraw/zinc/75/42/62/168754262.db2.gz BNOGXUSKOVORQQ-UHFFFAOYSA-N 0 0 170.187 1.137 10 0 ADAERN Cc1cc(CNCC(F)(F)F)no1 41042046 168755971 /nfs/dbraw/zinc/75/59/71/168755971.db2.gz FKSQRIVPOMRPPC-UHFFFAOYSA-N 0 0 194.156 1.635 10 0 ADAERN Cc1cc(CNc2ccncn2)no1 44726150 168756495 /nfs/dbraw/zinc/75/64/95/168756495.db2.gz OSCYQAWMHBCUJX-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1cc(CNc2ccncn2)on1 44995612 168756828 /nfs/dbraw/zinc/75/68/28/168756828.db2.gz YVJCKRNBFFIJFZ-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1cc(CNN)c(C)s1 49687644 168756878 /nfs/dbraw/zinc/75/68/78/168756878.db2.gz COCSOPHFCPRQRJ-UHFFFAOYSA-N 0 0 156.254 1.328 10 0 ADAERN Cc1cc(CNc2cccnn2)on1 52831320 168756957 /nfs/dbraw/zinc/75/69/57/168756957.db2.gz KROVYOAZFYHAOA-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1cc(CO)n(-c2ccccc2)n1 19045842 168757675 /nfs/dbraw/zinc/75/76/75/168757675.db2.gz GTRLDZUEFXCXTK-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN Cc1cc(CO)c2n1CSC2 95593972 168758044 /nfs/dbraw/zinc/75/80/44/168758044.db2.gz SHMCVLITYWMIJF-UHFFFAOYSA-N 0 0 169.249 1.493 10 0 ADAERN Cc1cc(Cl)c(N)cc1N 6069815 168759442 /nfs/dbraw/zinc/75/94/42/168759442.db2.gz MYFJHUCULJNTOF-UHFFFAOYSA-N 0 0 156.616 1.813 10 0 ADAERN Cc1cc(Cl)c2nc[nH]c2n1 45820980 168759864 /nfs/dbraw/zinc/75/98/64/168759864.db2.gz DHTNTAVVZZMIJD-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN Cc1cc(F)c2c(c1)c(=O)ccn2C 72416469 168760560 /nfs/dbraw/zinc/76/05/60/168760560.db2.gz IDPXCBDDYFEEHO-UHFFFAOYSA-N 0 0 191.205 1.986 10 0 ADAERN Cc1cc(Cl)cnc1-n1cnnc1 40538063 168760765 /nfs/dbraw/zinc/76/07/65/168760765.db2.gz URMSVYRXDBSFEK-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1cc(F)c(C=O)cn1 95763815 168760921 /nfs/dbraw/zinc/76/09/21/168760921.db2.gz BOQKJFPZGRSNTO-UHFFFAOYSA-N 0 0 139.129 1.342 10 0 ADAERN Cc1cc(F)c2[nH]ccc(=O)c2c1 35731148 168761288 /nfs/dbraw/zinc/76/12/88/168761288.db2.gz MAIFKYBUSMYGLQ-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN Cc1cc(Cl)nc(F)n1 39052421 168761608 /nfs/dbraw/zinc/76/16/08/168761608.db2.gz XKXXKBIEVYZBNP-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN Cc1cc(F)c(F)c(N)c1F 71625227 168761755 /nfs/dbraw/zinc/76/17/55/168761755.db2.gz KTONGXIEZSQQSW-UHFFFAOYSA-N 0 0 161.126 1.995 10 0 ADAERN Cc1cc(F)c2c(C=O)n[nH]c2c1 14984713 168761857 /nfs/dbraw/zinc/76/18/57/168761857.db2.gz AAFDMOJFKNNSQG-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN Cc1cc(Cl)ccc1NCC(N)=O 41209593 168761894 /nfs/dbraw/zinc/76/18/94/168761894.db2.gz BLJFUVCGQIXYPH-UHFFFAOYSA-N 0 0 198.653 1.546 10 0 ADAERN Cc1cc(F)ccc1[C@H]([NH3+])CC(=O)[O-] 44215877 168762600 /nfs/dbraw/zinc/76/26/00/168762600.db2.gz XTBLYKFKSQGQSY-SECBINFHSA-N 0 0 197.209 1.609 10 0 ADAERN Cc1cc(F)ccc1N[C@H](C)C(N)=O 20301538 168762896 /nfs/dbraw/zinc/76/28/96/168762896.db2.gz VENDPMVGHHOPAG-SSDOTTSWSA-N 0 0 196.225 1.420 10 0 ADAERN Cc1cc(F)cc2c(NN)ccnc12 51151934 168763241 /nfs/dbraw/zinc/76/32/41/168763241.db2.gz VOKUBGPVPLPIQZ-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1cc(F)ccc1C(=O)C=O 75547011 168763265 /nfs/dbraw/zinc/76/32/65/168763265.db2.gz PSFFODWYPIWAHZ-UHFFFAOYSA-N 0 0 166.151 1.516 10 0 ADAERN Cc1cc(F)cc(CO)n1 39050133 168763299 /nfs/dbraw/zinc/76/32/99/168763299.db2.gz YUCPGCDVRXRAJH-UHFFFAOYSA-N 0 0 141.145 1.021 10 0 ADAERN Cc1cc(F)cc([C@@H]([NH3+])CC(=O)[O-])c1 44219061 168763456 /nfs/dbraw/zinc/76/34/56/168763456.db2.gz DRRQITQKLPQMJF-VIFPVBQESA-N 0 0 197.209 1.609 10 0 ADAERN Cc1cc(N)c2[nH]nc(C)c2n1 89219829 168763806 /nfs/dbraw/zinc/76/38/06/168763806.db2.gz WWUGKOLGSUDBMY-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN Cc1cc(N)c(O)c(C=O)c1 82408219 168764120 /nfs/dbraw/zinc/76/41/20/168764120.db2.gz VHBSLHLOAGPITJ-UHFFFAOYSA-N 0 0 151.165 1.095 10 0 ADAERN Cc1cc(N)c(C)c2c1oc(=O)n2C 62521592 168764302 /nfs/dbraw/zinc/76/43/02/168764302.db2.gz OEUAGSZKMWJKCV-UHFFFAOYSA-N 0 0 192.218 1.331 10 0 ADAERN Cc1cc(N(C)CCO)ccc1C=O 50569511 168764554 /nfs/dbraw/zinc/76/45/54/168764554.db2.gz CLKNBOVYGNEGMM-UHFFFAOYSA-N 0 0 193.246 1.236 10 0 ADAERN Cc1cc(N)c(C=O)cc1C 39061913 168764737 /nfs/dbraw/zinc/76/47/37/168764737.db2.gz ZLTGKIQFUWZNEV-UHFFFAOYSA-N 0 0 149.193 1.698 10 0 ADAERN Cc1cc(N(C)C)c(C(=O)[O-])c[nH+]1 77268265 168764978 /nfs/dbraw/zinc/76/49/78/168764978.db2.gz IZWDKIGUDBLTET-UHFFFAOYSA-N 0 0 180.207 1.154 10 0 ADAERN Cc1c(N)cc(C)c2[nH]nnc12 95930789 168765108 /nfs/dbraw/zinc/76/51/08/168765108.db2.gz AIABHRDMGPJVFY-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN Cc1cc(N)c(N)c2snnc12 39263184 168765145 /nfs/dbraw/zinc/76/51/45/168765145.db2.gz AYUFHCWZEPQURH-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN Cc1cc(N)c2c(c1)NCCO2 62498532 168765356 /nfs/dbraw/zinc/76/53/56/168765356.db2.gz CNGNJSZLHQJCNK-UHFFFAOYSA-N 0 0 164.208 1.382 10 0 ADAERN Cc1cc(N)c2c(c1)NC(=O)CCO2 62521675 168765434 /nfs/dbraw/zinc/76/54/34/168765434.db2.gz ONLCLTPZDIYOBY-UHFFFAOYSA-N 0 0 192.218 1.298 10 0 ADAERN Cc1cc(N)c2oc(=O)[nH]c2c1 41568763 168765455 /nfs/dbraw/zinc/76/54/55/168765455.db2.gz VFYUHPPLDDAALY-UHFFFAOYSA-N 0 0 164.164 1.012 10 0 ADAERN Cc1cc(N)cnc1-n1cccn1 52813583 168765529 /nfs/dbraw/zinc/76/55/29/168765529.db2.gz HUSSJYLFRZURCN-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cc(N)cc2c1OCCCC2=O 82389662 168765753 /nfs/dbraw/zinc/76/57/53/168765753.db2.gz ZKCXTHMNTHFQBC-UHFFFAOYSA-N 0 0 191.230 1.933 10 0 ADAERN Cc1cc(N)c2oc(N)nc2c1 73642804 168766213 /nfs/dbraw/zinc/76/62/13/168766213.db2.gz QMAIFDRLGJWJGR-UHFFFAOYSA-N 0 0 163.180 1.301 10 0 ADAERN Cc1cc(N)ccc1N[C@H](C)CO 35600382 168766317 /nfs/dbraw/zinc/76/63/17/168766317.db2.gz UHKAEAMZGRBDMX-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cc(N)cc(-c2nc[nH]n2)c1C 62349493 168766331 /nfs/dbraw/zinc/76/63/31/168766331.db2.gz VPINANXTPKEIGW-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN Cc1cc(N)cc2[nH]c(=O)oc12 62498531 168766417 /nfs/dbraw/zinc/76/64/17/168766417.db2.gz HNIOENKXYQWUDN-UHFFFAOYSA-N 0 0 164.164 1.012 10 0 ADAERN Cc1cc(N)cc(Cl)c1N 88077688 168766447 /nfs/dbraw/zinc/76/64/47/168766447.db2.gz MPUYRZSQOVOWER-UHFFFAOYSA-N 0 0 156.616 1.813 10 0 ADAERN Cc1cc(N)c2oc(=O)n(C)c2c1 41568787 168766480 /nfs/dbraw/zinc/76/64/80/168766480.db2.gz BLNZBHNDXZNIAD-UHFFFAOYSA-N 0 0 178.191 1.022 10 0 ADAERN Cc1cc(N)cc(-n2cnnc2)c1 82399384 168766791 /nfs/dbraw/zinc/76/67/91/168766791.db2.gz MQAHVGPKMGZYLG-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cc(N)c2nccn2c1 36242303 168766860 /nfs/dbraw/zinc/76/68/60/168766860.db2.gz DQERFXGFYWNPLC-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN Cc1cc(N)nnc1C(C)C 54930943 168767105 /nfs/dbraw/zinc/76/71/05/168767105.db2.gz GODNJXQZRZXXES-UHFFFAOYSA-N 0 0 151.213 1.491 10 0 ADAERN Cc1cc(N)nnc1-c1ccco1 54931018 168768119 /nfs/dbraw/zinc/76/81/19/168768119.db2.gz FJDNWDHXULSPFW-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1cc(N2CCNC2=O)ccc1F 169106278 168768182 /nfs/dbraw/zinc/76/81/82/168768182.db2.gz STIUJGNERDNXHJ-UHFFFAOYSA-N 0 0 194.209 1.664 10 0 ADAERN Cc1cc(N)sc1-c1ncno1 104836654 168768301 /nfs/dbraw/zinc/76/83/01/168768301.db2.gz TYGHXUMETVPMSW-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1cc(N)n([C@H]2CCCSC2)n1 61589759 168768613 /nfs/dbraw/zinc/76/86/13/168768613.db2.gz ZPATVBHWPLNCTO-QMMMGPOBSA-N 0 0 197.307 1.842 10 0 ADAERN Cc1cc(N)nn1[C@H]1CCCC[C@H]1O 54600312 168768636 /nfs/dbraw/zinc/76/86/36/168768636.db2.gz XITYDBSZKCTBEO-DTWKUNHWSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1cc(NC(N)=O)ccc1F 1853757 168768850 /nfs/dbraw/zinc/76/88/50/168768850.db2.gz FPZGSLWNDUCKEA-UHFFFAOYSA-N 0 0 168.171 1.625 10 0 ADAERN Cc1cc(NC(C)C)nn1C 95088389 168768954 /nfs/dbraw/zinc/76/89/54/168768954.db2.gz GHSYWZHFIYSLFH-UHFFFAOYSA-N 0 0 153.229 1.549 10 0 ADAERN Cc1cc(NC(=O)N2CCC2)no1 75126553 168769095 /nfs/dbraw/zinc/76/90/95/168769095.db2.gz ZEAPXASMVVBFTD-UHFFFAOYSA-N 0 0 181.195 1.221 10 0 ADAERN Cc1cc(NC(=O)c2ccco2)on1 13596686 168769875 /nfs/dbraw/zinc/76/98/75/168769875.db2.gz DXEANZHOQJCTFV-UHFFFAOYSA-N 0 0 192.174 1.828 10 0 ADAERN Cc1cc(NC(N)=O)ccc1N 43570009 168769891 /nfs/dbraw/zinc/76/98/91/168769891.db2.gz QOUUUGSDPLWOGO-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN Cc1cc(NC(C)C)n(C)n1 95088383 168769989 /nfs/dbraw/zinc/76/99/89/168769989.db2.gz RYWRTEBAHXVVQR-UHFFFAOYSA-N 0 0 153.229 1.549 10 0 ADAERN Cc1cc(NC(=O)C(F)(F)F)n[nH]1 34528684 168769993 /nfs/dbraw/zinc/76/99/93/168769993.db2.gz CVGPCNYDFWPKDZ-UHFFFAOYSA-N 0 0 193.128 1.219 10 0 ADAERN Cc1cc(NC(N)=O)c(C)n1C1CC1 77278100 168770318 /nfs/dbraw/zinc/77/03/18/168770318.db2.gz NBDQEHSBEYMYCQ-UHFFFAOYSA-N 0 0 193.250 1.930 10 0 ADAERN Cc1cc(NC(C)C)n2ncnc2c1 35224852 168770683 /nfs/dbraw/zinc/77/06/83/168770683.db2.gz FAEPILGYFBNVNB-UHFFFAOYSA-N 0 0 190.250 1.858 10 0 ADAERN Cc1cc(NC(=S)NC2CC2)no1 13839817 168770701 /nfs/dbraw/zinc/77/07/01/168770701.db2.gz PAHSWTMAKRMPNP-UHFFFAOYSA-N 0 0 197.263 1.432 10 0 ADAERN Cc1cc(NN)sc1C 36224413 168770858 /nfs/dbraw/zinc/77/08/58/168770858.db2.gz UMPFALNKCKLEQF-UHFFFAOYSA-N 0 0 142.227 1.651 10 0 ADAERN Cc1cc(N[C@H]2C[C@@H]2C)ncn1 52290536 168771447 /nfs/dbraw/zinc/77/14/47/168771447.db2.gz IJQKXSZXWGBFAN-XPUUQOCRSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1cc(NCC(N)=O)ccc1F 61096796 168771713 /nfs/dbraw/zinc/77/17/13/168771713.db2.gz NXDXRUUUPBFGQR-UHFFFAOYSA-N 0 0 182.198 1.031 10 0 ADAERN Cc1cc(NCCF)nc(C)n1 306795578 168771733 /nfs/dbraw/zinc/77/17/33/168771733.db2.gz UZJMTZIYPHCOTJ-UHFFFAOYSA-N 0 0 169.203 1.475 10 0 ADAERN Cc1cc(NCCF)ncn1 306307537 168771833 /nfs/dbraw/zinc/77/18/33/168771833.db2.gz NJJKWXCIVLDWIA-UHFFFAOYSA-N 0 0 155.176 1.166 10 0 ADAERN Cc1cc(NC2CC2)nn1C 95075670 168772075 /nfs/dbraw/zinc/77/20/75/168772075.db2.gz BMLRMQZXBMSDOC-UHFFFAOYSA-N 0 0 151.213 1.303 10 0 ADAERN Cc1cc(NCCO)c(C)n1C 77262915 168772432 /nfs/dbraw/zinc/77/24/32/168772432.db2.gz ZTPOPOXYRXRWIN-UHFFFAOYSA-N 0 0 168.240 1.046 10 0 ADAERN Cc1cc(NO)c2ccccc2[n+]1[O-] 95882205 168772478 /nfs/dbraw/zinc/77/24/78/168772478.db2.gz MYMQMSMWCMVVLR-UHFFFAOYSA-N 0 0 190.202 1.583 10 0 ADAERN Cc1cc(NCc2cncnc2)n[nH]1 83341449 168772488 /nfs/dbraw/zinc/77/24/88/168772488.db2.gz VZGRXDYZCITYJG-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1cc(NC2CC2)no1 76573671 168772841 /nfs/dbraw/zinc/77/28/41/168772841.db2.gz PERYZUZZFMNWRT-UHFFFAOYSA-N 0 0 138.170 1.557 10 0 ADAERN Cc1cc(O)c(C)c2c1OCCO2 75569798 168773403 /nfs/dbraw/zinc/77/34/03/168773403.db2.gz XJDCNMLLNQCUDC-UHFFFAOYSA-N 0 0 180.203 1.780 10 0 ADAERN Cc1cc(O)c(/C=C/C(N)=O)cc1C 44278456 168774083 /nfs/dbraw/zinc/77/40/83/168774083.db2.gz VOHXNVWGDUESRZ-ONEGZZNKSA-N 0 0 191.230 1.508 10 0 ADAERN Cc1cc(O)c2cc(C=O)[nH]c2c1 82399200 168774203 /nfs/dbraw/zinc/77/42/03/168774203.db2.gz AVMQJBWCJHXURU-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN Cc1cc(O)c(N)c(C)c1C 34240039 168774837 /nfs/dbraw/zinc/77/48/37/168774837.db2.gz NCALSYQBOWCUDG-UHFFFAOYSA-N 0 0 151.209 1.900 10 0 ADAERN Cc1cc(OCCCCO)ccc1N 43444932 168775664 /nfs/dbraw/zinc/77/56/64/168775664.db2.gz FNYPPMYEPQXWTH-UHFFFAOYSA-N 0 0 195.262 1.729 10 0 ADAERN Cc1cc(OC2CC2)cc(C(N)=O)n1 95737037 168775936 /nfs/dbraw/zinc/77/59/36/168775936.db2.gz CQDGZORMPHRGIZ-UHFFFAOYSA-N 0 0 192.218 1.030 10 0 ADAERN Cc1cc(OC2CC2)cnc1C=O 95741766 168776360 /nfs/dbraw/zinc/77/63/60/168776360.db2.gz DACHUTGARJIVDZ-UHFFFAOYSA-N 0 0 177.203 1.744 10 0 ADAERN Cc1cc(O)ccc1C1=NCCO1 75567269 168776647 /nfs/dbraw/zinc/77/66/47/168776647.db2.gz BDGKHEZKHRGZRD-UHFFFAOYSA-N 0 0 177.203 1.477 10 0 ADAERN Cc1cc(OCC2CCC2)nn1C 306889882 168776681 /nfs/dbraw/zinc/77/66/81/168776681.db2.gz YAQSQVJQXJKYMN-UHFFFAOYSA-N 0 0 180.251 1.907 10 0 ADAERN Cc1cc(=O)[nH]cc1C(=O)NC(C)C 336628269 168776734 /nfs/dbraw/zinc/77/67/34/168776734.db2.gz KUJGGNVIDXRSJC-UHFFFAOYSA-N 0 0 194.234 1.234 10 0 ADAERN Cc1cc(O)cc2sc(N)nc12 31893770 168776763 /nfs/dbraw/zinc/77/67/63/168776763.db2.gz JBKKWOCZNDIITF-UHFFFAOYSA-N 0 0 180.232 1.893 10 0 ADAERN Cc1cc([C@@H](C(=O)[O-])[NH+](C)C)c(C)[nH]1 77295995 168777173 /nfs/dbraw/zinc/77/71/73/168777173.db2.gz SQJBYFCBJCHQLE-VIFPVBQESA-N 0 0 196.250 1.319 10 0 ADAERN Cc1cc([C@@H](C)O)ns1 39069234 168777624 /nfs/dbraw/zinc/77/76/24/168777624.db2.gz XWKHAAYNELHZCM-RXMQYKEDSA-N 0 0 143.211 1.505 10 0 ADAERN Cc1cc([C@@H](C)O)cc2c1NC(=O)C2 58094275 168778192 /nfs/dbraw/zinc/77/81/92/168778192.db2.gz TVIDNKLGSQSGCD-SSDOTTSWSA-N 0 0 191.230 1.543 10 0 ADAERN Cc1cc(OC[C@@H]2CCCO2)nn1C 336251048 168778389 /nfs/dbraw/zinc/77/83/89/168778389.db2.gz MTPLOPAIHKRCHI-VIFPVBQESA-N 0 0 196.250 1.286 10 0 ADAERN Cc1cc(OC[C@@H]2CCOC2)nn1C 334960983 168778406 /nfs/dbraw/zinc/77/84/06/168778406.db2.gz OPXNCRVILHBOQC-SECBINFHSA-N 0 0 196.250 1.144 10 0 ADAERN CC1=CC(=S)C(C)N1 77260069 168778516 /nfs/dbraw/zinc/77/85/16/168778516.db2.gz IFIIXVFHLCJDHU-UHFFFAOYSA-N 0 0 127.212 1.920 10 0 ADAERN Cc1cc([C@@H]2CCNC2=O)ccc1F 57488794 168779704 /nfs/dbraw/zinc/77/97/04/168779704.db2.gz BHDMPWLVEQHQGT-VIFPVBQESA-N 0 0 193.221 1.738 10 0 ADAERN Cc1cc([C@@H]([NH3+])CC(=O)[O-])c(C)n1C 77295982 168779762 /nfs/dbraw/zinc/77/97/62/168779762.db2.gz UKFDKRJMAUIYNX-VIFPVBQESA-N 0 0 196.250 1.116 10 0 ADAERN Cc1cc([C@@](C)([NH3+])CC(=O)[O-])c(C)[nH]1 77295984 168781345 /nfs/dbraw/zinc/78/13/45/168781345.db2.gz CRUVPXQUFMONGO-JTQLQIEISA-N 0 0 196.250 1.280 10 0 ADAERN Cc1cc([C@@H]2NC(=O)CN2C)cs1 335278450 168781360 /nfs/dbraw/zinc/78/13/60/168781360.db2.gz OJQAMDDUORJOCG-SECBINFHSA-N 0 0 196.275 1.117 10 0 ADAERN Cc1cc([C@H]([NH3+])CC(=O)[O-])ccc1F 2597550 168781418 /nfs/dbraw/zinc/78/14/18/168781418.db2.gz WDFMIERNWSXRKU-SECBINFHSA-N 0 0 197.209 1.609 10 0 ADAERN Cc1cc([C@H](C)O)ns1 39069235 168782111 /nfs/dbraw/zinc/78/21/11/168782111.db2.gz XWKHAAYNELHZCM-YFKPBYRVSA-N 0 0 143.211 1.505 10 0 ADAERN Cc1cc([C@H]2CCCO2)on1 39112893 168782637 /nfs/dbraw/zinc/78/26/37/168782637.db2.gz SASVVBVSRFWRFO-SSDOTTSWSA-N 0 0 153.181 1.835 10 0 ADAERN Cc1cc([C@H]2NC(=O)CN2C)cs1 335278453 168782795 /nfs/dbraw/zinc/78/27/95/168782795.db2.gz OJQAMDDUORJOCG-VIFPVBQESA-N 0 0 196.275 1.117 10 0 ADAERN Cc1cc([C@H]2CNC(=O)O2)ccc1F 75456466 168782852 /nfs/dbraw/zinc/78/28/52/168782852.db2.gz KWQJCJPHOJITLQ-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN Cc1cc([C@H](O)CON)ccc1F 49805954 168783361 /nfs/dbraw/zinc/78/33/61/168783361.db2.gz GRWVLYCITJLVHQ-SECBINFHSA-N 0 0 185.198 1.058 10 0 ADAERN Cc1cc([C@H](O)CCO)ccc1F 71499506 168783633 /nfs/dbraw/zinc/78/36/33/168783633.db2.gz CVRKOVRJDWEIEU-SNVBAGLBSA-N 0 0 184.210 1.550 10 0 ADAERN Cc1cc([C@H]2CC(=O)N2)oc1C 44256702 168783783 /nfs/dbraw/zinc/78/37/83/168783783.db2.gz OURDYFOKEMKDMV-SSDOTTSWSA-N 0 0 165.192 1.457 10 0 ADAERN Cc1cc2[nH]c(C)cc2c(=O)[nH]1 44713288 168784405 /nfs/dbraw/zinc/78/44/05/168784405.db2.gz DZNJTALPAYEKFG-UHFFFAOYSA-N 0 0 162.192 1.473 10 0 ADAERN Cc1cc2[nH]c(=O)ccc2c(C)c1N 57348903 168784458 /nfs/dbraw/zinc/78/44/58/168784458.db2.gz BRCJJJZJLLCPFO-UHFFFAOYSA-N 0 0 188.230 1.727 10 0 ADAERN Cc1cc2c(=O)[nH]c(C)nc2c(C)n1 32223525 168784559 /nfs/dbraw/zinc/78/45/59/168784559.db2.gz FIDWRZHJVOJWHR-UHFFFAOYSA-N 0 0 189.218 1.243 10 0 ADAERN Cc1cc2c(C=O)c(O)ccc2[nH]1 82399222 168784956 /nfs/dbraw/zinc/78/49/56/168784956.db2.gz YBCRHFPXNKUOCC-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN Cc1cc2n[nH]cc2c(C)n1 89220270 168785011 /nfs/dbraw/zinc/78/50/11/168785011.db2.gz VELJXABTNVEVEZ-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN Cc1cc2[nH]c(=O)[nH]c2cc1[C@@H](C)O 58117182 168785093 /nfs/dbraw/zinc/78/50/93/168785093.db2.gz NLISXSQHVYDAEA-ZCFIWIBFSA-N 0 0 192.218 1.218 10 0 ADAERN Cc1cc2c(Cl)nc(N)nc2o1 39625361 168785217 /nfs/dbraw/zinc/78/52/17/168785217.db2.gz SKPFYARNDNVQKN-UHFFFAOYSA-N 0 0 183.598 1.767 10 0 ADAERN Cc1cc2[nH]c(=O)cc(C)c2c(C)n1 45817514 168785395 /nfs/dbraw/zinc/78/53/95/168785395.db2.gz VFLKNOCPISSLES-UHFFFAOYSA-N 0 0 188.230 1.848 10 0 ADAERN Cc1cc2c(c(C)c1N)NCCO2 62519973 168786079 /nfs/dbraw/zinc/78/60/79/168786079.db2.gz NTLIZOPYKIVNLL-UHFFFAOYSA-N 0 0 178.235 1.690 10 0 ADAERN Cc1cc2c(c(N)c1C)OCCC2=O 36142945 168786372 /nfs/dbraw/zinc/78/63/72/168786372.db2.gz RHRIEXYYXVCIMX-UHFFFAOYSA-N 0 0 191.230 1.851 10 0 ADAERN Cc1cc2c(c([C@H](C)O)c1)NC(=O)C2 58090492 168786377 /nfs/dbraw/zinc/78/63/77/168786377.db2.gz ZNOGHRVZJRQTBJ-ZETCQYMHSA-N 0 0 191.230 1.543 10 0 ADAERN Cc1cc2c(cc1C)NC[C@@H](CO)C2 11633106 168786468 /nfs/dbraw/zinc/78/64/68/168786468.db2.gz ADPKPBUPHVKEQT-JTQLQIEISA-N 0 0 191.274 1.880 10 0 ADAERN Cc1cc2c(c(Cl)n1)C(=O)NC2 89212202 168786968 /nfs/dbraw/zinc/78/69/68/168786968.db2.gz OWYKETPTEGBGCA-UHFFFAOYSA-N 0 0 182.610 1.287 10 0 ADAERN Cc1cc2c(cc1C)O[C@H](CO)CO2 82662401 168787034 /nfs/dbraw/zinc/78/70/34/168787034.db2.gz MPRQJFKKRICPHZ-SECBINFHSA-N 0 0 194.230 1.436 10 0 ADAERN Cc1cc2c(cc1C)C(=O)OC2 34320391 168787107 /nfs/dbraw/zinc/78/71/07/168787107.db2.gz MEGOTCLFSOSFTG-UHFFFAOYSA-N 0 0 162.188 1.974 10 0 ADAERN Cc1cc2c([nH]c1=O)CC[C@@H](C)C2 49805405 168787215 /nfs/dbraw/zinc/78/72/15/168787215.db2.gz FHMOBZCGVANEAY-SSDOTTSWSA-N 0 0 177.247 1.808 10 0 ADAERN Cc1cc2c(s1)C=C[C@H](O)[C@H]2O 90377043 168787736 /nfs/dbraw/zinc/78/77/36/168787736.db2.gz ZFFFTJUHIZZDOY-CBAPKCEASA-N 0 0 182.244 1.478 10 0 ADAERN Cc1cc2cc(C)c(C=O)n2cn1 39116265 168787780 /nfs/dbraw/zinc/78/77/80/168787780.db2.gz KDVHWYVANNWCFY-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN Cc1cc2c(cn1)CCN=N2 196656724 168787864 /nfs/dbraw/zinc/78/78/64/168787864.db2.gz DGYKNKZNNYHYSN-UHFFFAOYSA-N 0 0 147.181 1.344 10 0 ADAERN Cc1cc2c(s1)C(=O)NCCC2 82395716 168787898 /nfs/dbraw/zinc/78/78/98/168787898.db2.gz YUENGOCSPHIXJX-UHFFFAOYSA-N 0 0 181.260 1.733 10 0 ADAERN Cc1cc2c(nc1C)NC(=O)C2 44712682 168787901 /nfs/dbraw/zinc/78/79/01/168787901.db2.gz MPMMQMOYOJDAKP-UHFFFAOYSA-N 0 0 162.192 1.193 10 0 ADAERN Cc1cc2c(cn1)NCCC2 82840108 168788194 /nfs/dbraw/zinc/78/81/94/168788194.db2.gz SOONMDWXGHZUBB-UHFFFAOYSA-N 0 0 148.209 1.748 10 0 ADAERN Cc1cc2c(cc1NN)OCCO2 82587956 168788416 /nfs/dbraw/zinc/78/84/16/168788416.db2.gz UCICBBNDOADBPJ-UHFFFAOYSA-N 0 0 180.207 1.052 10 0 ADAERN Cc1cc2c(cc1N)NCCC2 39136071 168788533 /nfs/dbraw/zinc/78/85/33/168788533.db2.gz CHXREIASZTZWAT-UHFFFAOYSA-N 0 0 162.236 1.935 10 0 ADAERN Cc1cc2c(cc1O)[C@@H](CO)CO2 49112072 168788592 /nfs/dbraw/zinc/78/85/92/168788592.db2.gz XNGDDFPFJFPWRU-ZETCQYMHSA-N 0 0 180.203 1.169 10 0 ADAERN Cc1cc2cc(F)ccc2n(C)c1=O 39121559 168788903 /nfs/dbraw/zinc/78/89/03/168788903.db2.gz PRRLHCXUXOEJPF-UHFFFAOYSA-N 0 0 191.205 1.986 10 0 ADAERN Cc1cc2ccc[n+]([O-])c2o1 38995604 168789286 /nfs/dbraw/zinc/78/92/86/168789286.db2.gz ZGKFIYVFNVKWMC-UHFFFAOYSA-N 0 0 149.149 1.375 10 0 ADAERN Cc1cc2n(n1)Cc1cc(C)nn1C2 39115348 168789631 /nfs/dbraw/zinc/78/96/31/168789631.db2.gz IXDBHEIIXMSVCU-UHFFFAOYSA-N 0 0 188.234 1.106 10 0 ADAERN Cc1cc2cnccc2cn1 45817299 168789633 /nfs/dbraw/zinc/78/96/33/168789633.db2.gz FDEJPNNBSWXBGI-UHFFFAOYSA-N 0 0 144.177 1.938 10 0 ADAERN Cc1cc2cc[n+]([O-])cc2o1 39050766 168790080 /nfs/dbraw/zinc/79/00/80/168790080.db2.gz WMAXFBZAXNWWKC-UHFFFAOYSA-N 0 0 149.149 1.375 10 0 ADAERN Cc1cc2cccc(F)c2[nH]c1=NN 11633994 168790180 /nfs/dbraw/zinc/79/01/80/168790180.db2.gz ZXSQEIXRHJCXGR-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1cc2[nH]c(=O)c3ccccc3n2n1 100243482 168790383 /nfs/dbraw/zinc/79/03/83/168790383.db2.gz ZWAUWKMEAMFSFB-UHFFFAOYSA-N 0 0 199.213 1.484 10 0 ADAERN Cc1cc2ccccc2nn1 32137163 168790533 /nfs/dbraw/zinc/79/05/33/168790533.db2.gz CEYRROMZZGLFSL-UHFFFAOYSA-N 0 0 144.177 1.938 10 0 ADAERN Cc1cc2ncc([C@H](C)O)c(C)n2n1 35598603 168791011 /nfs/dbraw/zinc/79/10/11/168791011.db2.gz UZWQAQDOZRXXMO-QMMMGPOBSA-N 0 0 191.234 1.399 10 0 ADAERN Cc1cc2[nH]c(=NN)n(C)c2cc1C 75579911 168791030 /nfs/dbraw/zinc/79/10/30/168791030.db2.gz ZSNFQXLNSXJLCP-UHFFFAOYSA-N 0 0 190.250 1.476 10 0 ADAERN Cc1cc2oc(=O)ccc2cc1N 75565103 168791089 /nfs/dbraw/zinc/79/10/89/168791089.db2.gz PBGMTNGAYGFQAH-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN Cc1cc2ncc3c(n2n1)CCC3 72451598 168791625 /nfs/dbraw/zinc/79/16/25/168791625.db2.gz KQYFCAXYBGFIBW-UHFFFAOYSA-N 0 0 173.219 1.526 10 0 ADAERN Cc1cc2oc(CO)cc2c(=O)o1 32221465 168791695 /nfs/dbraw/zinc/79/16/95/168791695.db2.gz VCTINQYQXSQILW-UHFFFAOYSA-N 0 0 180.159 1.187 10 0 ADAERN Cc1cc2oc(=O)[nH]c2c(C)c1N 62519925 168791758 /nfs/dbraw/zinc/79/17/58/168791758.db2.gz CSVLSRWEWJYAAL-UHFFFAOYSA-N 0 0 178.191 1.320 10 0 ADAERN Cc1cc2nncnc2c(C)n1 5930808 168792012 /nfs/dbraw/zinc/79/20/12/168792012.db2.gz KCVLPRPJUARYEK-UHFFFAOYSA-N 0 0 160.180 1.037 10 0 ADAERN Cc1cc[n+]([O-])c(C(F)(F)F)c1 57354313 168792058 /nfs/dbraw/zinc/79/20/58/168792058.db2.gz MACXJHSPXZUKBC-UHFFFAOYSA-N 0 0 177.125 1.647 10 0 ADAERN Cc1cc2nsnc2cc1C=O 82397844 168792123 /nfs/dbraw/zinc/79/21/23/168792123.db2.gz ZEJIETRQSDGDEI-UHFFFAOYSA-N 0 0 178.216 1.812 10 0 ADAERN Cc1cc[n+]([O-])c(C2CC2)c1 34743232 168792145 /nfs/dbraw/zinc/79/21/45/168792145.db2.gz LNSSNMBSRZJBRR-UHFFFAOYSA-N 0 0 149.193 1.506 10 0 ADAERN Cc1cc2oc(=O)n(C)c2cc1C 62152901 168792170 /nfs/dbraw/zinc/79/21/70/168792170.db2.gz YYCNJELAIXKLOU-UHFFFAOYSA-N 0 0 177.203 1.748 10 0 ADAERN Cc1cc2ncoc2cc1N 82408794 168792334 /nfs/dbraw/zinc/79/23/34/168792334.db2.gz XKHRFQRDUVSTQJ-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]1C 306300644 168792897 /nfs/dbraw/zinc/79/28/97/168792897.db2.gz GATSAJACGNPBKF-HTQZYQBOSA-N 0 0 178.235 1.461 10 0 ADAERN Cc1ccc(-c2cc(=O)c2=O)cc1 38949633 168792953 /nfs/dbraw/zinc/79/29/53/168792953.db2.gz LPOXRTHOPDSBGN-UHFFFAOYSA-N 0 0 172.183 1.258 10 0 ADAERN Cc1cc[nH]c1C(=O)NC[C@@H]1C[C@@H]1C 335852402 168793161 /nfs/dbraw/zinc/79/31/61/168793161.db2.gz QFPFPTVVCZIDOE-IUCAKERBSA-N 0 0 192.262 1.709 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@@H]1CC[C@H]1C 336431428 168793209 /nfs/dbraw/zinc/79/32/09/168793209.db2.gz NKBRMWKGQXUDRB-VXNVDRBHSA-N 0 0 192.262 1.851 10 0 ADAERN Cc1ccc(-c2ccc(=O)[nH]c2)nc1 96312085 168793579 /nfs/dbraw/zinc/79/35/79/168793579.db2.gz BRNSSSPTGBTKCR-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1cc[nH]c1C(=O)N1[C@H](C)C[C@H]1C 336578064 168793782 /nfs/dbraw/zinc/79/37/82/168793782.db2.gz CLOPYDQKKXYTAS-RKDXNWHRSA-N 0 0 192.262 1.946 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@H]1CC[C@@H]1C 336431426 168793829 /nfs/dbraw/zinc/79/38/29/168793829.db2.gz NKBRMWKGQXUDRB-CBAPKCEASA-N 0 0 192.262 1.851 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@@H]1CC[C@@H]1C 336431427 168793900 /nfs/dbraw/zinc/79/39/00/168793900.db2.gz NKBRMWKGQXUDRB-IONNQARKSA-N 0 0 192.262 1.851 10 0 ADAERN Cc1cc[nH]c1C(=O)N1C[C@H](C)[C@@H]1C 334262870 168793938 /nfs/dbraw/zinc/79/39/38/168793938.db2.gz JCJMWPBXRNYLPD-IUCAKERBSA-N 0 0 192.262 1.804 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@@H]1C[C@@H]1C 306701044 168793953 /nfs/dbraw/zinc/79/39/53/168793953.db2.gz GATSAJACGNPBKF-JGVFFNPUSA-N 0 0 178.235 1.461 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@@H]1CC1(C)C 335790164 168793956 /nfs/dbraw/zinc/79/39/56/168793956.db2.gz FHWDVAOTHQIKDN-MRVPVSSYSA-N 0 0 192.262 1.851 10 0 ADAERN Cc1ccc(-c2c[nH]c(=O)[nH]2)cc1 42750036 168794113 /nfs/dbraw/zinc/79/41/13/168794113.db2.gz HBEVUGPNPGMXSM-UHFFFAOYSA-N 0 0 174.203 1.678 10 0 ADAERN Cc1ccc(-c2n[nH]c(C)n2)cn1 36960780 168794329 /nfs/dbraw/zinc/79/43/29/168794329.db2.gz YYIKYULDOZWZJQ-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1ccc(-c2ncc(N)nn2)cc1 77272773 168794448 /nfs/dbraw/zinc/79/44/48/168794448.db2.gz WMIAVMRCZUZROL-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccc(-c2nnc(CO)o2)cc1 33823616 168795115 /nfs/dbraw/zinc/79/51/15/168795115.db2.gz NKZFJQXLZIQHGS-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1ccc(-c2nnc(CN)o2)o1 50283449 168795118 /nfs/dbraw/zinc/79/51/18/168795118.db2.gz AYKHETPJYACKQX-UHFFFAOYSA-N 0 0 179.179 1.097 10 0 ADAERN Cc1ccc(-c2nccc(=O)[nH]2)o1 36882115 168795126 /nfs/dbraw/zinc/79/51/26/168795126.db2.gz OSUVZQDLIOZUBW-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cc1ccc(-c2nncn2C)cc1N 54497555 168795143 /nfs/dbraw/zinc/79/51/43/168795143.db2.gz FOVMEYCPZYWABO-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1ccc(-c2ncnn2C)cc1N 54498669 168795157 /nfs/dbraw/zinc/79/51/57/168795157.db2.gz DQIMFLDCJMTWMH-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1ccc(-c2nc(CO)no2)cc1 36757618 168795282 /nfs/dbraw/zinc/79/52/82/168795282.db2.gz LTNJVQRLYBCECI-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1ccc(C2N=NC(=S)O2)cn1 26516494 168795283 /nfs/dbraw/zinc/79/52/83/168795283.db2.gz TZEINGRSZLCAOD-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN Cc1ccc(-c2nc(N)n[nH]2)cc1C 19281868 168795319 /nfs/dbraw/zinc/79/53/19/168795319.db2.gz OXMIGAKXMCGCEA-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN Cc1ccc(-c2ncncn2)cc1N 82529938 168795338 /nfs/dbraw/zinc/79/53/38/168795338.db2.gz YVNRCLKQXAWULZ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccc(-c2noc(N)n2)cc1C 75413486 168795343 /nfs/dbraw/zinc/79/53/43/168795343.db2.gz CJSYSIDMFDMGPQ-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1ccc(C2N=NC(=S)N2)cn1 34977890 168795349 /nfs/dbraw/zinc/79/53/49/168795349.db2.gz AKBJSPBJOGGANI-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN Cc1ccc(-c2nnc(N)n2C)cc1 28531874 168795465 /nfs/dbraw/zinc/79/54/65/168795465.db2.gz OSGZNRGBJZHUOT-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1ccc(-c2n[nH]cc2CO)cc1 77098276 168795532 /nfs/dbraw/zinc/79/55/32/168795532.db2.gz DYXYHWZXFBDRPG-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN Cc1ccc(-c2coc(N)n2)o1 50266300 168795842 /nfs/dbraw/zinc/79/58/42/168795842.db2.gz JZOSIIHQGNGZQM-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cc1ccc(-n2ncnc2C)cc1N 82655686 168795962 /nfs/dbraw/zinc/79/59/62/168795962.db2.gz BVUCPPZEZLYMRC-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ccc(/C=C\C(N)=O)c(C)c1F 44261245 168796257 /nfs/dbraw/zinc/79/62/57/168796257.db2.gz AJOTZKHMFBAMQN-WAYWQWQTSA-N 0 0 193.221 1.941 10 0 ADAERN Cc1ccc(-n2cc[nH]c2=O)cc1F 141830381 168796361 /nfs/dbraw/zinc/79/63/61/168796361.db2.gz HTICPJFJGVZNHQ-UHFFFAOYSA-N 0 0 192.193 1.613 10 0 ADAERN Cc1ccc(N2CN=NC2=S)cc1 20583610 168796467 /nfs/dbraw/zinc/79/64/67/168796467.db2.gz VTPSISANBKBYNE-UHFFFAOYSA-N 0 0 191.259 1.864 10 0 ADAERN Cc1ccc(-n2cnc(C=O)c2)cc1 19474060 168796507 /nfs/dbraw/zinc/79/65/07/168796507.db2.gz UJGOUXJDIUMVJJ-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN Cc1ccc(/C=C/C(N)=O)c(C)c1 37389151 168796547 /nfs/dbraw/zinc/79/65/47/168796547.db2.gz FMGUQBSABYCKGA-AATRIKPKSA-N 0 0 175.231 1.802 10 0 ADAERN Cc1ccc(-n2ccc(N)n2)nc1 40516840 168797218 /nfs/dbraw/zinc/79/72/18/168797218.db2.gz QBIBFQGOGUQCNY-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccc(/C=C\[N+](=O)[O-])o1 107210520 168797281 /nfs/dbraw/zinc/79/72/81/168797281.db2.gz YUGJJOVWZWUBQX-PLNGDYQASA-N 0 0 153.137 1.835 10 0 ADAERN Cc1ccc(/C=C\C(N)=O)c(O)c1C 44278199 168797296 /nfs/dbraw/zinc/79/72/96/168797296.db2.gz VBSFODYSNLTHQK-WAYWQWQTSA-N 0 0 191.230 1.508 10 0 ADAERN Cc1ccc(-n2ccc(C=O)n2)cc1 75577156 168797319 /nfs/dbraw/zinc/79/73/19/168797319.db2.gz IFIOQJOKCJKGOJ-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN Cc1ccc(C(=O)N2CCC2)c(C)n1 334239275 168797997 /nfs/dbraw/zinc/79/79/97/168797997.db2.gz KQZPBLRUOKUNMB-UHFFFAOYSA-N 0 0 190.246 1.544 10 0 ADAERN Cc1ccc(C(=O)N2CCCO2)n1C 336064611 168798363 /nfs/dbraw/zinc/79/83/63/168798363.db2.gz RDELTWPJJPDDIU-UHFFFAOYSA-N 0 0 194.234 1.111 10 0 ADAERN Cc1ccc(C(=O)N2CC(C)C2)n1C 334171618 168798576 /nfs/dbraw/zinc/79/85/76/168798576.db2.gz AGFKADMXWWNGEN-UHFFFAOYSA-N 0 0 192.262 1.425 10 0 ADAERN Cc1ccc(C(=O)C(C)(C)O)cc1 34587996 168798613 /nfs/dbraw/zinc/79/86/13/168798613.db2.gz BYSOKMZMLYCWCZ-UHFFFAOYSA-N 0 0 178.231 1.949 10 0 ADAERN Cc1ccc(C(=O)CO)cc1C 40449632 168799362 /nfs/dbraw/zinc/79/93/62/168799362.db2.gz YNANWLSRFOGZPI-UHFFFAOYSA-N 0 0 164.204 1.478 10 0 ADAERN Cc1ccc(C(=O)CCC(N)=O)cc1 33432825 168799517 /nfs/dbraw/zinc/79/95/17/168799517.db2.gz DPHPFDFIGQHYTP-UHFFFAOYSA-N 0 0 191.230 1.443 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1[C@@H](C)[NH3+] 75845441 168799926 /nfs/dbraw/zinc/79/99/26/168799926.db2.gz UHTRGDFXUMPYLK-SSDOTTSWSA-N 0 0 179.219 1.713 10 0 ADAERN Cc1ccc(C(=O)N[C@@H]2CC23CC3)o1 335121476 168800567 /nfs/dbraw/zinc/80/05/67/168800567.db2.gz RYKBZFATKIPCDT-SECBINFHSA-N 0 0 191.230 1.870 10 0 ADAERN Cc1ccc(C(=O)NC#N)cc1 39065531 168801320 /nfs/dbraw/zinc/80/13/20/168801320.db2.gz IEFIZJBBSCNOLE-UHFFFAOYSA-N 0 0 160.176 1.206 10 0 ADAERN Cc1ccc(C(=O)NCCF)c(C)n1 335722389 168801394 /nfs/dbraw/zinc/80/13/94/168801394.db2.gz KJAPEKGCPTTZLM-UHFFFAOYSA-N 0 0 196.225 1.398 10 0 ADAERN Cc1ccc(C(=O)[O-])cc1[C@H](C)[NH3+] 75845442 168801468 /nfs/dbraw/zinc/80/14/68/168801468.db2.gz UHTRGDFXUMPYLK-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN Cc1ccc(C(=O)[C@H]2CCOC2)o1 43608989 168801688 /nfs/dbraw/zinc/80/16/88/168801688.db2.gz CWOKDIRYIGOHTA-QMMMGPOBSA-N 0 0 180.203 1.807 10 0 ADAERN Cc1ccc(C(=O)c2cnn(C)c2)o1 35369273 168801947 /nfs/dbraw/zinc/80/19/47/168801947.db2.gz CZBKPHFJMIZRQA-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN Cc1ccc(C(N)=S)s1 32917348 168802305 /nfs/dbraw/zinc/80/23/05/168802305.db2.gz XDQJZGFICZDEGM-UHFFFAOYSA-N 0 0 157.263 1.691 10 0 ADAERN Cc1ccc(C(O)O)cc1F 39088671 168802575 /nfs/dbraw/zinc/80/25/75/168802575.db2.gz HXWONJIEAZCIFZ-UHFFFAOYSA-N 0 0 156.156 1.117 10 0 ADAERN Cc1ccc(C(C)C)n1CCO 39104168 168803153 /nfs/dbraw/zinc/80/31/53/168803153.db2.gz DLDBOXTYABTPSR-UHFFFAOYSA-N 0 0 167.252 1.912 10 0 ADAERN Cc1ccc(C)c(C(=O)C=O)c1 96888648 168803646 /nfs/dbraw/zinc/80/36/46/168803646.db2.gz MZPKPUFRXRFDLR-UHFFFAOYSA-N 0 0 162.188 1.685 10 0 ADAERN Cc1ccc(C)c(C(N)=S)c1 41168001 168803735 /nfs/dbraw/zinc/80/37/35/168803735.db2.gz XOVZUOHMKCSAHT-UHFFFAOYSA-N 0 0 165.261 1.938 10 0 ADAERN Cc1ccc(C)c(CO)c1N 90727168 168803781 /nfs/dbraw/zinc/80/37/81/168803781.db2.gz NXNWWPMVRXQYFD-UHFFFAOYSA-N 0 0 151.209 1.378 10 0 ADAERN Cc1ccc(C)c(C(CO)CO)c1 49805632 168803829 /nfs/dbraw/zinc/80/38/29/168803829.db2.gz CWNJOLKVNWULIA-UHFFFAOYSA-N 0 0 180.247 1.372 10 0 ADAERN Cc1ccc(C)c(CON)c1 19733274 168804323 /nfs/dbraw/zinc/80/43/23/168804323.db2.gz SWAUQVIYDFMUNH-UHFFFAOYSA-N 0 0 151.209 1.694 10 0 ADAERN Cc1ccc(C)c(CNC(N)=O)c1 3613318 168804372 /nfs/dbraw/zinc/80/43/72/168804372.db2.gz NYSHDDGSAGJEQF-UHFFFAOYSA-N 0 0 178.235 1.472 10 0 ADAERN Cc1ccc(C)c(C(=O)CCO)c1 71497435 168804474 /nfs/dbraw/zinc/80/44/74/168804474.db2.gz LVYFJVCKHVVEQK-UHFFFAOYSA-N 0 0 178.231 1.869 10 0 ADAERN Cc1ccc(C)c(CCNC(N)=O)c1 5765306 168804508 /nfs/dbraw/zinc/80/45/08/168804508.db2.gz IGDQWXCMSOONEI-UHFFFAOYSA-N 0 0 192.262 1.514 10 0 ADAERN Cc1ccc(C)c(C(=O)CN)c1O 82871276 168804577 /nfs/dbraw/zinc/80/45/77/168804577.db2.gz WLEQKODICKTJPA-UHFFFAOYSA-N 0 0 179.219 1.150 10 0 ADAERN Cc1ccc(C)c(/C=C/C(N)=O)c1 44258432 168804617 /nfs/dbraw/zinc/80/46/17/168804617.db2.gz IANWPMLLPAJOJA-AATRIKPKSA-N 0 0 175.231 1.802 10 0 ADAERN Cc1ccc(C)c(OC(N)=O)c1 1851616 168804733 /nfs/dbraw/zinc/80/47/33/168804733.db2.gz MDSWSNBMVSKNHN-UHFFFAOYSA-N 0 0 165.192 1.761 10 0 ADAERN Cc1ccc(C)c(OCCO)c1C 19786114 168804855 /nfs/dbraw/zinc/80/48/55/168804855.db2.gz HVXUCYZPPQSFDT-UHFFFAOYSA-N 0 0 180.247 1.983 10 0 ADAERN Cc1ccc(C)c(O)c1N 34439949 168804979 /nfs/dbraw/zinc/80/49/79/168804979.db2.gz CAMQCQPKZNSFND-UHFFFAOYSA-N 0 0 137.182 1.591 10 0 ADAERN Cc1ccc(C)c([C@@H](C[NH3+])C(=O)[O-])c1 44196471 168804991 /nfs/dbraw/zinc/80/49/91/168804991.db2.gz XMBMJROEURJMLG-SNVBAGLBSA-N 0 0 193.246 1.430 10 0 ADAERN Cc1ccc(C)c([C@@H]2CNC(=O)N2)c1 77275194 168805104 /nfs/dbraw/zinc/80/51/04/168805104.db2.gz BGRXMCCNRQZGDQ-JTQLQIEISA-N 0 0 190.246 1.657 10 0 ADAERN Cc1ccc(C)c([C@@H](O)CON)c1 49805701 168805295 /nfs/dbraw/zinc/80/52/95/168805295.db2.gz OONSHBJKBXPVKU-JTQLQIEISA-N 0 0 181.235 1.227 10 0 ADAERN Cc1ccc(C)c(NC=O)n1 14986156 168805310 /nfs/dbraw/zinc/80/53/10/168805310.db2.gz DNBYLCVGMJVSQH-UHFFFAOYSA-N 0 0 150.181 1.267 10 0 in-vitro ADAERN Cc1ccc(C)c2c1NC(=O)CO2 62519545 168806726 /nfs/dbraw/zinc/80/67/26/168806726.db2.gz DTSGQBYRCMLAPJ-UHFFFAOYSA-N 0 0 177.203 1.634 10 0 ADAERN Cc1ccc(C)c([C@H](O)CNO)c1 49805698 168806762 /nfs/dbraw/zinc/80/67/62/168806762.db2.gz ORGIHTHVINDELW-SNVBAGLBSA-N 0 0 181.235 1.316 10 0 ADAERN Cc1ccc(C)c2c1CCCNC2=O 57936697 168806837 /nfs/dbraw/zinc/80/68/37/168806837.db2.gz GUGAONOLTLUPBP-UHFFFAOYSA-N 0 0 189.258 1.979 10 0 ADAERN Cc1ccc(C)c2c1C[C@@H](CO)CN2 11633104 168807102 /nfs/dbraw/zinc/80/71/02/168807102.db2.gz ALBYTBODXBRDJD-SNVBAGLBSA-N 0 0 191.274 1.880 10 0 ADAERN Cc1ccc(C)c2c1CC(=O)N2 32006004 168807467 /nfs/dbraw/zinc/80/74/67/168807467.db2.gz LYOYXDJRQJTKJI-UHFFFAOYSA-N 0 0 161.204 1.798 10 0 ADAERN Cc1ccc(C)c2c1OC(=O)C2=O 1757341 168807573 /nfs/dbraw/zinc/80/75/73/168807573.db2.gz NFCVZXQKIJAKFD-UHFFFAOYSA-N 0 0 176.171 1.405 10 0 ADAERN Cc1ccc(C)c2oc(=NN)[nH]c12 62519633 168807647 /nfs/dbraw/zinc/80/76/47/168807647.db2.gz PTKSDQFCGVHWGS-UHFFFAOYSA-N 0 0 177.207 1.730 10 0 ADAERN Cc1ccc(C)c([C@H](O)CCO)c1 71498192 168807660 /nfs/dbraw/zinc/80/76/60/168807660.db2.gz SLPSWSSGCOOCPN-LLVKDONJSA-N 0 0 180.247 1.719 10 0 ADAERN Cc1ccc(C2=NCCO2)cc1 2143848 168808197 /nfs/dbraw/zinc/80/81/97/168808197.db2.gz NYTUDOKVKPJSOI-UHFFFAOYSA-N 0 0 161.204 1.772 10 0 ADAERN Cc1ccc(C=O)c(C)c1O 39648534 168808243 /nfs/dbraw/zinc/80/82/43/168808243.db2.gz OTIGZTVNVNDUNV-UHFFFAOYSA-N 0 0 150.177 1.822 10 0 ADAERN Cc1ccc(C)n1Cc1cnn(C)c1 45136620 168808263 /nfs/dbraw/zinc/80/82/63/168808263.db2.gz VMMPBIZFMKBTJR-UHFFFAOYSA-N 0 0 189.262 1.887 10 0 ADAERN Cc1ccc(C)n2ccnc12 89202409 168808308 /nfs/dbraw/zinc/80/83/08/168808308.db2.gz VXOYDKMUIUSYAH-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN Cc1ccc(C2(O)CC2)cc1 54346731 168808658 /nfs/dbraw/zinc/80/86/58/168808658.db2.gz RXURTCZBEWFHME-UHFFFAOYSA-N 0 0 148.205 1.976 10 0 ADAERN Cc1ccc(C)n1N(C)C 6071274 168809055 /nfs/dbraw/zinc/80/90/55/168809055.db2.gz WCGXNZMVBUQWBW-UHFFFAOYSA-N 0 0 138.214 1.303 10 0 ADAERN Cc1ccc(CC(=O)N(C)C)s1 306558488 168809706 /nfs/dbraw/zinc/80/97/06/168809706.db2.gz PJINHVQKWYJTRC-UHFFFAOYSA-N 0 0 183.276 1.687 10 0 ADAERN Cc1ccc(C=O)c2nsnc12 82397852 168810066 /nfs/dbraw/zinc/81/00/66/168810066.db2.gz DQYVYZZJGXLJCB-UHFFFAOYSA-N 0 0 178.216 1.812 10 0 ADAERN Cc1ccc(C=O)cc1C=O 34206857 168810331 /nfs/dbraw/zinc/81/03/31/168810331.db2.gz SIOZAOSLRZGTCR-UHFFFAOYSA-N 0 0 148.161 1.620 10 0 ADAERN Cc1ccc(CC[NH3+])cc1C(=O)[O-] 36196126 168810434 /nfs/dbraw/zinc/81/04/34/168810434.db2.gz AAKIZINULUQHGI-UHFFFAOYSA-N 0 0 179.219 1.194 10 0 ADAERN Cc1ccc(CCN(C)N)cc1 71495808 168810504 /nfs/dbraw/zinc/81/05/04/168810504.db2.gz RSUZHUWGWIQURE-UHFFFAOYSA-N 0 0 164.252 1.343 10 0 ADAERN Cc1ccc(CC(=O)N2CCC2)s1 306926015 168810567 /nfs/dbraw/zinc/81/05/67/168810567.db2.gz OLAWTBVXZKMSNS-UHFFFAOYSA-N 0 0 195.287 1.831 10 0 ADAERN Cc1ccc(CCO)c(N)c1 34129715 168811470 /nfs/dbraw/zinc/81/14/70/168811470.db2.gz ZAZXUIHWJJQCLY-UHFFFAOYSA-N 0 0 151.209 1.112 10 0 ADAERN Cc1ccc(CN(C)N)c(C)c1 71495811 168811818 /nfs/dbraw/zinc/81/18/18/168811818.db2.gz PROIKVNUSMGQFS-UHFFFAOYSA-N 0 0 164.252 1.609 10 0 ADAERN Cc1ccc(CN2CC(F)C2)cn1 306188177 168811925 /nfs/dbraw/zinc/81/19/25/168811925.db2.gz UJLMFZOIOABWCI-UHFFFAOYSA-N 0 0 180.226 1.544 10 0 ADAERN Cc1ccc(CC[C@H](C)O)o1 39269149 168812037 /nfs/dbraw/zinc/81/20/37/168812037.db2.gz MNMWQGUAOSUVCQ-ZETCQYMHSA-N 0 0 154.209 1.901 10 0 ADAERN Cc1ccc(CCNN)cc1C 19167950 168812256 /nfs/dbraw/zinc/81/22/56/168812256.db2.gz DDLASOOBJIBYSG-UHFFFAOYSA-N 0 0 164.252 1.309 10 0 ADAERN Cc1ccc(CCO)c(C)n1 44380591 168812390 /nfs/dbraw/zinc/81/23/90/168812390.db2.gz QIVQAADAKAJJGS-UHFFFAOYSA-N 0 0 151.209 1.233 10 0 ADAERN Cc1ccc(CN2CCC(=O)C2)s1 50225575 168812394 /nfs/dbraw/zinc/81/23/94/168812394.db2.gz WUCFDDKWQJBLFU-UHFFFAOYSA-N 0 0 195.287 1.831 10 0 ADAERN Cc1ccc(CC[C@@H](C)O)o1 39269148 168812759 /nfs/dbraw/zinc/81/27/59/168812759.db2.gz MNMWQGUAOSUVCQ-SSDOTTSWSA-N 0 0 154.209 1.901 10 0 ADAERN Cc1ccc(CNO)cc1C 82840877 168813956 /nfs/dbraw/zinc/81/39/56/168813956.db2.gz MKXNCEKSUDDAQN-UHFFFAOYSA-N 0 0 151.209 1.782 10 0 ADAERN Cc1ccc(CNc2ccncn2)o1 53039198 168816339 /nfs/dbraw/zinc/81/63/39/168816339.db2.gz HCNISNVXRYLKAM-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1ccc(CNc2nc[nH]n2)s1 20881462 168816522 /nfs/dbraw/zinc/81/65/22/168816522.db2.gz NMATXAZAGZPNMT-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN Cc1ccc(Cl)c2c1NC(=O)[C@H]2O 42041449 168816951 /nfs/dbraw/zinc/81/69/51/168816951.db2.gz HYSXSDCNZQFVKK-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN Cc1ccc(Cl)c2c1NC(=O)CO2 62522214 168817381 /nfs/dbraw/zinc/81/73/81/168817381.db2.gz MWKFUIYXXJZAQG-UHFFFAOYSA-N 0 0 197.621 1.979 10 0 ADAERN Cc1ccc(F)c(CCO)n1 44382269 168818882 /nfs/dbraw/zinc/81/88/82/168818882.db2.gz QEMRZMHIJGPUKI-UHFFFAOYSA-N 0 0 155.172 1.064 10 0 ADAERN Cc1ccc(F)c(-c2nnc(N)o2)c1 52981663 168819492 /nfs/dbraw/zinc/81/94/92/168819492.db2.gz LUOOAITZACKTLT-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cc1ccc(F)c(N2CCC(=O)C2)c1 37240084 168819592 /nfs/dbraw/zinc/81/95/92/168819592.db2.gz KGDBXCWSCTYRPG-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN Cc1ccc(F)c(OCC(N)=S)c1 82939750 168819607 /nfs/dbraw/zinc/81/96/07/168819607.db2.gz LBUINNOCIPNBCA-UHFFFAOYSA-N 0 0 199.250 1.799 10 0 ADAERN Cc1ccc(F)c(/C=C/C(N)=O)c1F 44260309 168819626 /nfs/dbraw/zinc/81/96/26/168819626.db2.gz ZVPKEQORCATMGS-HWKANZROSA-N 0 0 197.184 1.772 10 0 ADAERN Cc1ccc(F)c(N[C@H](C)C(N)=O)c1 20360146 168819646 /nfs/dbraw/zinc/81/96/46/168819646.db2.gz GRVMXKHEYYTEOK-SSDOTTSWSA-N 0 0 196.225 1.420 10 0 ADAERN Cc1ccc(F)c2c1OC(=O)CC2 75882762 168820203 /nfs/dbraw/zinc/82/02/03/168820203.db2.gz NKXUWUMVMKKOIE-UHFFFAOYSA-N 0 0 180.178 1.986 10 0 ADAERN Cc1ccc(F)cc1NC[C@@H](C)O 37687809 168820247 /nfs/dbraw/zinc/82/02/47/168820247.db2.gz OUUAIGSYNYUPDN-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1ccc(F)cc1N[C@H](C)C(N)=O 20301210 168820282 /nfs/dbraw/zinc/82/02/82/168820282.db2.gz GKSQRSABSBVKBB-SSDOTTSWSA-N 0 0 196.225 1.420 10 0 ADAERN Cc1ccc(F)cc1/C=C\C(N)=O 44260587 168820531 /nfs/dbraw/zinc/82/05/31/168820531.db2.gz NCEUXOAWZOWXLR-HYXAFXHYSA-N 0 0 179.194 1.633 10 0 ADAERN Cc1ccc(N(C)C(N)=O)c(C)c1 48440596 168820566 /nfs/dbraw/zinc/82/05/66/168820566.db2.gz DYMDTKYBIXOMNM-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN Cc1ccc(N(C)C[C@H](C)O)nc1 51821230 168820845 /nfs/dbraw/zinc/82/08/45/168820845.db2.gz KDTRAVDPTZNXSK-VIFPVBQESA-N 0 0 180.251 1.207 10 0 ADAERN Cc1ccc(N(C)C[C@@H](C)O)cc1N 61701976 168820856 /nfs/dbraw/zinc/82/08/56/168820856.db2.gz AZWOAWRZDDIOGW-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN Cc1ccc(F)c2nccc(NN)c12 51151928 168821487 /nfs/dbraw/zinc/82/14/87/168821487.db2.gz DWCFFPGYCWPXPZ-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1ccc(F)cc1-c1noc(N)n1 52708794 168821560 /nfs/dbraw/zinc/82/15/60/168821560.db2.gz VVXBBXNJBMTBBG-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cc1ccc(N)c(CNN(C)C)c1 39643537 168821755 /nfs/dbraw/zinc/82/17/55/168821755.db2.gz RTGUVAIMTNEGEL-UHFFFAOYSA-N 0 0 179.267 1.143 10 0 ADAERN Cc1ccc(N)cc1N[C@H](C)CO 53734951 168821773 /nfs/dbraw/zinc/82/17/73/168821773.db2.gz MVGOEAZWQRBKGG-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(N)c2nnc(C(C)C)n12 36242525 168821853 /nfs/dbraw/zinc/82/18/53/168821853.db2.gz VCQMCXUXUFMXKB-UHFFFAOYSA-N 0 0 190.250 1.743 10 0 ADAERN Cc1ccc(N)c(-c2ncncn2)c1 82529946 168821858 /nfs/dbraw/zinc/82/18/58/168821858.db2.gz IHMQZPJFNTXBOP-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccc(N)cc1NC[C@H](C)O 53734947 168821860 /nfs/dbraw/zinc/82/18/60/168821860.db2.gz JNNROBQETPQMLR-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(N)c([C@H]2COCCN2)c1 76136626 168821936 /nfs/dbraw/zinc/82/19/36/168821936.db2.gz PVBVMDVVOJROQM-LLVKDONJSA-N 0 0 192.262 1.238 10 0 ADAERN Cc1ccc(N)cc1N[C@@H](C)CO 53734950 168822080 /nfs/dbraw/zinc/82/20/80/168822080.db2.gz MVGOEAZWQRBKGG-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(N)cc1NC(C)(C)CO 53734941 168822255 /nfs/dbraw/zinc/82/22/55/168822255.db2.gz XQNVKCAXDKMXPQ-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1ccc(N)c(=S)[nH]1 82410180 168822375 /nfs/dbraw/zinc/82/23/75/168822375.db2.gz BVSIWKROIMSBTA-UHFFFAOYSA-N 0 0 140.211 1.635 10 0 ADAERN Cc1ccc(N)cc1NC[C@@H](C)O 53734946 168822610 /nfs/dbraw/zinc/82/26/10/168822610.db2.gz JNNROBQETPQMLR-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(N)c(C)c1NC(N)=O 19511053 168822676 /nfs/dbraw/zinc/82/26/76/168822676.db2.gz QBBOIGNKDOLTIL-UHFFFAOYSA-N 0 0 179.223 1.376 10 0 ADAERN Cc1ccc(N)c(C(C)(C)O)c1 34197325 168822746 /nfs/dbraw/zinc/82/27/46/168822746.db2.gz BRIJGTQYKMNOPY-UHFFFAOYSA-N 0 0 165.236 1.805 10 0 ADAERN Cc1ccc(N)c(Cl)c1N 6070734 168822934 /nfs/dbraw/zinc/82/29/34/168822934.db2.gz YYQCBWFZPBTUKI-UHFFFAOYSA-N 0 0 156.616 1.813 10 0 ADAERN Cc1ccc(N)c([C@H](C)O)c1 59651137 168823021 /nfs/dbraw/zinc/82/30/21/168823021.db2.gz VMEQXRIRKLPMSK-ZETCQYMHSA-N 0 0 151.209 1.631 10 0 ADAERN Cc1ccc(N)c(-c2nncn2C)c1 54497475 168823035 /nfs/dbraw/zinc/82/30/35/168823035.db2.gz DUKBCMVXSMVJSS-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1ccc(N)cc1-c1cn[nH]n1 95560433 168823042 /nfs/dbraw/zinc/82/30/42/168823042.db2.gz WDCOUVGIAXUSJF-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1ccc(N2CCC(=O)C2=O)cc1 45929779 168823469 /nfs/dbraw/zinc/82/34/69/168823469.db2.gz YKUDVBRCGAYSQS-UHFFFAOYSA-N 0 0 189.214 1.301 10 0 ADAERN Cc1ccc(N2CCC[C@@H]2CO)nc1 42434709 168823760 /nfs/dbraw/zinc/82/37/60/168823760.db2.gz LBJWDYFOZDREMP-SNVBAGLBSA-N 0 0 192.262 1.351 10 0 ADAERN Cc1ccc(N2CC[C@H](O)C2)cc1N 61709431 168824391 /nfs/dbraw/zinc/82/43/91/168824391.db2.gz PACDZQBVIOWGHX-JTQLQIEISA-N 0 0 192.262 1.148 10 0 ADAERN Cc1ccc(N=O)nc1 45787084 168824753 /nfs/dbraw/zinc/82/47/53/168824753.db2.gz LCGOJXIESDBWAY-UHFFFAOYSA-N 0 0 122.127 1.788 10 0 ADAERN Cc1ccc(N2CCNC2=O)c(N)c1 37064702 168824894 /nfs/dbraw/zinc/82/48/94/168824894.db2.gz UTXYQTKZWUKHSW-UHFFFAOYSA-N 0 0 191.234 1.107 10 0 ADAERN Cc1ccc(N2CCC(=O)C2)c(F)c1 37240076 168824931 /nfs/dbraw/zinc/82/49/31/168824931.db2.gz ALYQNQUZAXCURO-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN Cc1ccc(NC(N)=O)cc1O 5781874 168825239 /nfs/dbraw/zinc/82/52/39/168825239.db2.gz ANLILZBBUVRVRP-UHFFFAOYSA-N 0 0 166.180 1.191 10 0 ADAERN Cc1ccc(NC2=NCCO2)cc1 1680098 168825409 /nfs/dbraw/zinc/82/54/09/168825409.db2.gz NEVRAXFZOXHXAV-UHFFFAOYSA-N 0 0 176.219 1.793 10 0 ADAERN Cc1ccc(NC(C)C)cc1C(N)=O 128639857 168825480 /nfs/dbraw/zinc/82/54/80/168825480.db2.gz AAYOUMALUNVIBL-UHFFFAOYSA-N 0 0 192.262 1.914 10 0 ADAERN Cc1ccc(NC[C@H](O)CO)cc1C 37878388 168825486 /nfs/dbraw/zinc/82/54/86/168825486.db2.gz IFVHXRNNLCSFGA-NSHDSACASA-N 0 0 195.262 1.069 10 0 ADAERN Cc1ccc(NCC(N)=O)cc1C 20050824 168826244 /nfs/dbraw/zinc/82/62/44/168826244.db2.gz SJZKKGONZDXGFW-UHFFFAOYSA-N 0 0 178.235 1.201 10 0 ADAERN Cc1ccc(NC[C@@H](C)O)cc1N 61701204 168826348 /nfs/dbraw/zinc/82/63/48/168826348.db2.gz LQOFXKLQMKEQAV-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(NC(N)=O)cc1C(N)=O 335776490 168826456 /nfs/dbraw/zinc/82/64/56/168826456.db2.gz DQVATRODWGBKMB-UHFFFAOYSA-N 0 0 193.206 1.369 10 0 ADAERN Cc1ccc(NC(N)=O)cc1N 19507488 168826461 /nfs/dbraw/zinc/82/64/61/168826461.db2.gz BDMZDKDLMHGPKF-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN Cc1ccc(NC[C@H](C)O)cc1F 37687812 168826473 /nfs/dbraw/zinc/82/64/73/168826473.db2.gz JTPYJJXHTXADMV-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1ccc(Nc2noc(N)n2)cc1 39255604 168826819 /nfs/dbraw/zinc/82/68/19/168826819.db2.gz BTIQDJPWQACWHQ-UHFFFAOYSA-N 0 0 190.206 1.704 10 0 ADAERN Cc1ccc(O)c(CCCO)c1 1686552 168826863 /nfs/dbraw/zinc/82/68/63/168826863.db2.gz NIWBCIHQXLXXOM-UHFFFAOYSA-N 0 0 166.220 1.626 10 0 ADAERN Cc1ccc(N[C@H](C)CO)c(N)c1 35600378 168826867 /nfs/dbraw/zinc/82/68/67/168826867.db2.gz HIGSWMLNYJQOEA-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(O)c(-c2nc(N)n[nH]2)c1 19263280 168826915 /nfs/dbraw/zinc/82/69/15/168826915.db2.gz DRRHUNRUKACFCZ-UHFFFAOYSA-N 0 0 190.206 1.068 10 0 ADAERN Cc1ccc(N[C@@H]2COC[C@@H]2O)cc1 37882358 168826980 /nfs/dbraw/zinc/82/69/80/168826980.db2.gz MSTJFGAOBIUFPF-MNOVXSKESA-N 0 0 193.246 1.167 10 0 ADAERN Cc1ccc(N[C@H](C)CO)nc1 35606947 168827125 /nfs/dbraw/zinc/82/71/25/168827125.db2.gz UYKUQOXGUNNULR-MRVPVSSYSA-N 0 0 166.224 1.183 10 0 ADAERN Cc1ccc(NCc2cn[nH]c2)nn1 41045141 168827196 /nfs/dbraw/zinc/82/71/96/168827196.db2.gz JVMSGYWJJJTWGD-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1ccc(NN)s1 96032262 168827300 /nfs/dbraw/zinc/82/73/00/168827300.db2.gz GUNRACWJJHXKIT-UHFFFAOYSA-N 0 0 128.200 1.342 10 0 ADAERN Cc1ccc(N[C@@H](C)C(N)=O)c(F)c1 20359954 168827324 /nfs/dbraw/zinc/82/73/24/168827324.db2.gz DKCMSWONABAIHZ-ZETCQYMHSA-N 0 0 196.225 1.420 10 0 ADAERN Cc1ccc(Nc2cnn(C)c2)nn1 41045112 168827342 /nfs/dbraw/zinc/82/73/42/168827342.db2.gz OUGUBIVTQVMYKI-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN Cc1ccc(N[C@@H]2C[C@@H]2C)nn1 52290656 168827691 /nfs/dbraw/zinc/82/76/91/168827691.db2.gz VYWGOWZWBHCPQZ-POYBYMJQSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1ccc(N[C@H](C)CO)cc1N 61701207 168827801 /nfs/dbraw/zinc/82/78/01/168827801.db2.gz DLXQFSQQHLCJOO-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(NN)c2c1C[C@@H](C)O2 34092117 168827926 /nfs/dbraw/zinc/82/79/26/168827926.db2.gz YCJXWRPKILQERP-SSDOTTSWSA-N 0 0 178.235 1.604 10 0 ADAERN Cc1ccc(O)c(CCO)c1 34722432 168827972 /nfs/dbraw/zinc/82/79/72/168827972.db2.gz YUPLTPHCPWAUED-UHFFFAOYSA-N 0 0 152.193 1.235 10 0 ADAERN Cc1ccc(NNC(N)=S)cc1C 71507219 168828006 /nfs/dbraw/zinc/82/80/06/168828006.db2.gz JVXBKBJYPYMJEA-UHFFFAOYSA-N 0 0 195.291 1.464 10 0 ADAERN Cc1ccc(NCc2nc[nH]n2)cc1 42040725 168828256 /nfs/dbraw/zinc/82/82/56/168828256.db2.gz LVSQWVYIMMIQGX-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN Cc1ccc(O)c(C(N)=S)c1 83339887 168828313 /nfs/dbraw/zinc/82/83/13/168828313.db2.gz ZMPXOUJZFKKLGL-UHFFFAOYSA-N 0 0 167.233 1.335 10 0 ADAERN Cc1ccc(O)c2c1COC2=O 14490366 168828697 /nfs/dbraw/zinc/82/86/97/168828697.db2.gz LSEDBFAOUVOFHX-UHFFFAOYSA-N 0 0 164.160 1.371 10 0 ADAERN Cc1ccc(O)c2c1C[C@H](C)OC2=O 13460740 168828734 /nfs/dbraw/zinc/82/87/34/168828734.db2.gz YETSBBYQOFXYGV-ZETCQYMHSA-N 0 0 192.214 1.802 10 0 biogenic,in-vitro ADAERN Cc1ccc(O)c2c1OCO2 96329097 168829251 /nfs/dbraw/zinc/82/92/51/168829251.db2.gz VAJQEDSWJLPEJF-UHFFFAOYSA-N 0 0 152.149 1.429 10 0 ADAERN Cc1ccc(O)c([C@H](C)O)c1 21952221 168829819 /nfs/dbraw/zinc/82/98/19/168829819.db2.gz MJAVRHJREGOAGY-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN Cc1ccc(O)c([C@@H](C)O)c1 21952219 168829884 /nfs/dbraw/zinc/82/98/84/168829884.db2.gz MJAVRHJREGOAGY-SSDOTTSWSA-N 0 0 152.193 1.754 10 0 ADAERN Cc1ccc(OCCO)c([C@@H](C)O)c1 35630406 168830764 /nfs/dbraw/zinc/83/07/64/168830764.db2.gz CDVLNCCCEYZHJO-SECBINFHSA-N 0 0 196.246 1.419 10 0 ADAERN Cc1ccc(OC[C@@H](C)O)c(N)c1 34241890 168831877 /nfs/dbraw/zinc/83/18/77/168831877.db2.gz OPFRYVIBHSZGJV-MRVPVSSYSA-N 0 0 181.235 1.337 10 0 ADAERN Cc1ccc(OC[C@H](C)C(N)=O)cc1 41206233 168832007 /nfs/dbraw/zinc/83/20/07/168832007.db2.gz AHDZLMCDFIMLEZ-VIFPVBQESA-N 0 0 193.246 1.495 10 0 ADAERN Cc1ccc(OCC(N)=S)cc1C 5592663 168832260 /nfs/dbraw/zinc/83/22/60/168832260.db2.gz ZKBUQFMZQOIIFH-UHFFFAOYSA-N 0 0 195.287 1.968 10 0 ADAERN Cc1ccc(OCCCO)c(N)c1 37401636 168832320 /nfs/dbraw/zinc/83/23/20/168832320.db2.gz LPSOSHQTKHAPAS-UHFFFAOYSA-N 0 0 181.235 1.338 10 0 ADAERN Cc1ccc(OCc2ccon2)cn1 335897375 168832338 /nfs/dbraw/zinc/83/23/38/168832338.db2.gz AQCBGYMVIHVNHN-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN Cc1ccc(ON)cc1C 34115182 168832378 /nfs/dbraw/zinc/83/23/78/168832378.db2.gz PQVQPKPRASCKMS-UHFFFAOYSA-N 0 0 137.182 1.556 10 0 ADAERN Cc1ccc(OCCO)c([C@H](C)O)c1 35630407 168832401 /nfs/dbraw/zinc/83/24/01/168832401.db2.gz CDVLNCCCEYZHJO-VIFPVBQESA-N 0 0 196.246 1.419 10 0 ADAERN Cc1ccc(SCCO)cc1N 61702098 168833675 /nfs/dbraw/zinc/83/36/75/168833675.db2.gz CIRKOTHEFMRGHN-UHFFFAOYSA-N 0 0 183.276 1.662 10 0 ADAERN CC1=CCC(=S)O1 6071285 168834057 /nfs/dbraw/zinc/83/40/57/168834057.db2.gz VFXYLFXZARNARN-UHFFFAOYSA-N 0 0 114.169 1.877 10 0 ADAERN Cc1ccc([C@@H](C)[C@@H]([NH3+])C(=O)[O-])cc1 75581316 168835692 /nfs/dbraw/zinc/83/56/92/168835692.db2.gz IVKJCDJSHMWMKJ-PSASIEDQSA-N 0 0 193.246 1.510 10 0 ADAERN Cc1ccc([C@@H](C[NH3+])CC(=O)[O-])s1 6071292 168835824 /nfs/dbraw/zinc/83/58/24/168835824.db2.gz RPNWEWXYTFWDTR-SSDOTTSWSA-N 0 0 199.275 1.574 10 0 in-vivo ADAERN Cc1ccc([C@@H](C)O)c(O)c1 35598610 168836127 /nfs/dbraw/zinc/83/61/27/168836127.db2.gz DKQQKMKSPSBWJB-SSDOTTSWSA-N 0 0 152.193 1.754 10 0 ADAERN Cc1ccc([C@@H](C)[C@H]([NH3+])C(=O)[O-])cc1 75581314 168836220 /nfs/dbraw/zinc/83/62/20/168836220.db2.gz IVKJCDJSHMWMKJ-SCZZXKLOSA-N 0 0 193.246 1.510 10 0 ADAERN Cc1ccc([C@@H](O)CNO)cc1C 49805695 168836780 /nfs/dbraw/zinc/83/67/80/168836780.db2.gz HZKXADLHAGJVML-JTQLQIEISA-N 0 0 181.235 1.316 10 0 ADAERN Cc1ccc([C@@H](O)Cc2ncc[nH]2)o1 40261610 168836893 /nfs/dbraw/zinc/83/68/93/168836893.db2.gz UURYKAAQNBHRRE-QMMMGPOBSA-N 0 0 192.218 1.587 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)C2)cc1C 1016466 168836993 /nfs/dbraw/zinc/83/69/93/168836993.db2.gz ZFFHVISJASCJBV-NSHDSACASA-N 0 0 189.258 1.907 10 0 ADAERN Cc1ccc([C@@H]2CCNC(=O)N2)cc1 77275168 168837190 /nfs/dbraw/zinc/83/71/90/168837190.db2.gz DPLPDLKNWMTNRH-JTQLQIEISA-N 0 0 190.246 1.739 10 0 ADAERN Cc1ccc([C@@H](O)CNO)c(C)c1 49805705 168837251 /nfs/dbraw/zinc/83/72/51/168837251.db2.gz WVSMDUDTAXSJOI-JTQLQIEISA-N 0 0 181.235 1.316 10 0 ADAERN Cc1ccc([C@@H](O)CON)cc1C 49805697 168837490 /nfs/dbraw/zinc/83/74/90/168837490.db2.gz KRZLUCMRMOVHDD-JTQLQIEISA-N 0 0 181.235 1.227 10 0 ADAERN Cc1ccc([C@@H](O)C(N)=S)cc1 83340650 168837609 /nfs/dbraw/zinc/83/76/09/168837609.db2.gz YSDFJQGBBDNKMH-MRVPVSSYSA-N 0 0 181.260 1.315 10 0 ADAERN Cc1ccc([C@@H]([NH3+])[C@H](C)C(=O)[O-])cc1 57937356 168837747 /nfs/dbraw/zinc/83/77/47/168837747.db2.gz WSPHPDPIOQGWAI-WPRPVWTQSA-N 0 0 193.246 1.716 10 0 ADAERN Cc1ccc([C@@H](O)c2cc[nH]n2)cc1 5285938 168837822 /nfs/dbraw/zinc/83/78/22/168837822.db2.gz GQAYHTKMCPICFH-LLVKDONJSA-N 0 0 188.230 1.800 10 0 ADAERN Cc1ccc([C@H](N)C(F)(F)F)cn1 95761203 168840195 /nfs/dbraw/zinc/84/01/95/168840195.db2.gz OMUOGFNBTYYILQ-ZETCQYMHSA-N 0 0 190.168 1.952 10 0 ADAERN Cc1ccc([C@H](C)[C@@H]([NH3+])C(=O)[O-])cc1 75581317 168840439 /nfs/dbraw/zinc/84/04/39/168840439.db2.gz IVKJCDJSHMWMKJ-WCBMZHEXSA-N 0 0 193.246 1.510 10 0 ADAERN Cc1ccc([C@H](C)ON)cc1 19728739 168841280 /nfs/dbraw/zinc/84/12/80/168841280.db2.gz AZWRFOKVUZEJIP-QMMMGPOBSA-N 0 0 151.209 1.946 10 0 ADAERN Cc1ccc([C@H](O)C(N)=S)cc1 83340649 168841586 /nfs/dbraw/zinc/84/15/86/168841586.db2.gz YSDFJQGBBDNKMH-QMMMGPOBSA-N 0 0 181.260 1.315 10 0 ADAERN Cc1ccc([C@H](O)CCO)cc1C 71498186 168842114 /nfs/dbraw/zinc/84/21/14/168842114.db2.gz ZMQPLNAPPCNPTE-LLVKDONJSA-N 0 0 180.247 1.719 10 0 ADAERN Cc1ccc([C@H](O)CO)cc1F 95532704 168842124 /nfs/dbraw/zinc/84/21/24/168842124.db2.gz PDEQEMBZQPNAAI-SECBINFHSA-N 0 0 170.183 1.160 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@H](C)C(=O)[O-])cc1 57937354 168842420 /nfs/dbraw/zinc/84/24/20/168842420.db2.gz WSPHPDPIOQGWAI-WCBMZHEXSA-N 0 0 193.246 1.716 10 0 ADAERN Cc1ccc([C@H]([NH3+])CCC(=O)[O-])s1 20217152 168842496 /nfs/dbraw/zinc/84/24/96/168842496.db2.gz KNNBHQCVCUNMQB-SSDOTTSWSA-N 0 0 199.275 1.921 10 0 ADAERN Cc1ccc([C@H](N)c2ncon2)cc1 36762077 168842925 /nfs/dbraw/zinc/84/29/25/168842925.db2.gz OLMVUNNUXOKIKE-VIFPVBQESA-N 0 0 189.218 1.426 10 0 ADAERN Cc1ccc([C@H]2CC(=O)O2)o1 104834841 168842941 /nfs/dbraw/zinc/84/29/41/168842941.db2.gz UHDPXWITTHXCFR-SSDOTTSWSA-N 0 0 152.149 1.576 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)N2)c(C)c1 77275211 168843129 /nfs/dbraw/zinc/84/31/29/168843129.db2.gz OVRFSPYLXPUBBL-SNVBAGLBSA-N 0 0 190.246 1.657 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)O2)cc1N 75456607 168843136 /nfs/dbraw/zinc/84/31/36/168843136.db2.gz QBXGEJRIDUMRQH-SECBINFHSA-N 0 0 192.218 1.358 10 0 ADAERN Cc1ccc([C@]2(C)CNC(=O)O2)cc1 36156661 168843415 /nfs/dbraw/zinc/84/34/15/168843415.db2.gz UDKCLXOYYXTWIO-NSHDSACASA-N 0 0 191.230 1.950 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)O2)cc1 41199743 168843831 /nfs/dbraw/zinc/84/38/31/168843831.db2.gz SLONLHBEPYBEJX-SECBINFHSA-N 0 0 177.203 1.776 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)C2)cc1C 1016467 168844452 /nfs/dbraw/zinc/84/44/52/168844452.db2.gz ZFFHVISJASCJBV-LLVKDONJSA-N 0 0 189.258 1.907 10 0 ADAERN Cc1ccc([C@H]2CCNC2=O)cc1C 58520976 168844503 /nfs/dbraw/zinc/84/45/03/168844503.db2.gz PTGONAJAOCEGBL-LLVKDONJSA-N 0 0 189.258 1.907 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)N2C)cc1 2021157 168844523 /nfs/dbraw/zinc/84/45/23/168844523.db2.gz SCHFPALZDZUMRC-SNVBAGLBSA-N 0 0 190.246 1.691 10 0 ADAERN Cc1ccc2c(C=O)nc(C)n2n1 82399192 168845948 /nfs/dbraw/zinc/84/59/48/168845948.db2.gz UIFSTZDVAXELTA-UHFFFAOYSA-N 0 0 175.191 1.159 10 0 ADAERN Cc1ccc2c(CO)n[nH]c2c1 89195954 168846077 /nfs/dbraw/zinc/84/60/77/168846077.db2.gz XYUJEZJEEWOMMP-UHFFFAOYSA-N 0 0 162.192 1.364 10 0 ADAERN Cc1ccc2c(CO)cc(=O)oc2c1 36757647 168846573 /nfs/dbraw/zinc/84/65/73/168846573.db2.gz XBAXQCYHYDJSLI-UHFFFAOYSA-N 0 0 190.198 1.594 10 0 ADAERN Cc1ccc2c(C(N)=O)ccnc2c1 238515117 168846611 /nfs/dbraw/zinc/84/66/11/168846611.db2.gz RMPFJSDSKTWAAB-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 ADAERN Cc1ccc2c(=O)c(C)cnc-2[nH]1 39213077 168846762 /nfs/dbraw/zinc/84/67/62/168846762.db2.gz PCISLWUXJKQROS-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN Cc1ccc2[nH]cc(N)c2n1 44712878 168847282 /nfs/dbraw/zinc/84/72/82/168847282.db2.gz FTPBMWCMOPXYRB-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 in-vitro ADAERN Cc1ccc2c(c1)C[C@@H](CO)CN2 11633100 168848094 /nfs/dbraw/zinc/84/80/94/168848094.db2.gz RNDBXBXJQVIBPZ-SECBINFHSA-N 0 0 177.247 1.572 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](CO)CO2 40762334 168849303 /nfs/dbraw/zinc/84/93/03/168849303.db2.gz VWGGBIZDILFIQG-QMMMGPOBSA-N 0 0 179.219 1.160 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)C[C@@H](CO)O2 57348776 168849356 /nfs/dbraw/zinc/84/93/56/168849356.db2.gz JUDVLFKJQCTXIM-WPRPVWTQSA-N 0 0 194.230 1.172 10 0 ADAERN Cc1ccc2c(c1)NC[C@H](CO)C2 11633097 168849442 /nfs/dbraw/zinc/84/94/42/168849442.db2.gz QQWHOXQOFQXBPM-SECBINFHSA-N 0 0 177.247 1.572 10 0 ADAERN Cc1ccc2c(c1)O[C@H](CCO)CO2 39316478 168849451 /nfs/dbraw/zinc/84/94/51/168849451.db2.gz PDPFIODCZGCNTK-SECBINFHSA-N 0 0 194.230 1.517 10 0 ADAERN Cc1ccc2c(c1)NC[C@@H](CO)O2 34413884 168849712 /nfs/dbraw/zinc/84/97/12/168849712.db2.gz QKSDLDKFNQTYBL-QMMMGPOBSA-N 0 0 179.219 1.160 10 0 ADAERN Cc1ccc2c(c1)NCC(=O)N2 76594227 168849914 /nfs/dbraw/zinc/84/99/14/168849914.db2.gz FLHYWKXOCOAFLT-UHFFFAOYSA-N 0 0 162.192 1.359 10 0 ADAERN Cc1ccc2c(c1)NC(=O)[C@H](C)CO2 62521040 168850264 /nfs/dbraw/zinc/85/02/64/168850264.db2.gz YPJFKKAOQACONL-MRVPVSSYSA-N 0 0 191.230 1.962 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CCO)CN2 71486819 168850467 /nfs/dbraw/zinc/85/04/67/168850467.db2.gz GEMWUKRYOYLKBA-VIFPVBQESA-N 0 0 177.247 1.887 10 0 ADAERN Cc1ccc2c(c1)NC(=O)CN2 7498908 168850685 /nfs/dbraw/zinc/85/06/85/168850685.db2.gz GCBFDYJTMHZLDP-UHFFFAOYSA-N 0 0 162.192 1.359 10 0 ADAERN Cc1ccc2c(c1)[C@](C)(CO)CN2 238498753 168851232 /nfs/dbraw/zinc/85/12/32/168851232.db2.gz LOQSISFZEYIBKJ-NSHDSACASA-N 0 0 177.247 1.671 10 0 ADAERN Cc1ccc2c(c1)c(C=O)nn2C 76600271 168851507 /nfs/dbraw/zinc/85/15/07/168851507.db2.gz NGVRWDGJKVLQKM-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)CCN2 71479975 168851635 /nfs/dbraw/zinc/85/16/35/168851635.db2.gz TZHKTXNGAYSUTR-SNVBAGLBSA-N 0 0 163.220 1.844 10 0 ADAERN Cc1ccc2c(c1)sc(=O)n2C 39118979 168851835 /nfs/dbraw/zinc/85/18/35/168851835.db2.gz GORRQCDPRZIXNC-UHFFFAOYSA-N 0 0 179.244 1.908 10 0 ADAERN Cc1ccc2c(c1)[C@H](CC(N)=O)CC2 41204703 168851887 /nfs/dbraw/zinc/85/18/87/168851887.db2.gz GGKYZIABBVLEJM-JTQLQIEISA-N 0 0 189.258 1.900 10 0 ADAERN Cc1ccc2c(ccc(=O)n2C)c1 5747592 168852603 /nfs/dbraw/zinc/85/26/03/168852603.db2.gz CUPPKIDGACIPHU-UHFFFAOYSA-N 0 0 173.215 1.847 10 0 ADAERN Cc1ccc2c(n1)O[C@H](C)C2 39050309 168852633 /nfs/dbraw/zinc/85/26/33/168852633.db2.gz KAHGDOPALIVEMS-SSDOTTSWSA-N 0 0 149.193 1.713 10 0 ADAERN Cc1ccc2c(n1)CCC(=O)C2 95757700 168852648 /nfs/dbraw/zinc/85/26/48/168852648.db2.gz PVUMMKVCVVBZFQ-UHFFFAOYSA-N 0 0 161.204 1.448 10 0 ADAERN Cc1ccc2c(n1)CC2 72230791 168852668 /nfs/dbraw/zinc/85/26/68/168852668.db2.gz FIOJIINAGLZVGR-UHFFFAOYSA-N 0 0 119.167 1.489 10 0 ADAERN Cc1ccc2cc(C(=O)CN)oc2c1 20389927 168852710 /nfs/dbraw/zinc/85/27/10/168852710.db2.gz IHLZHTBDALFJSR-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN Cc1ccc2c(n1)C=CCO2 39051351 168852735 /nfs/dbraw/zinc/85/27/35/168852735.db2.gz KIQPZKJGCYNVRF-UHFFFAOYSA-N 0 0 147.177 1.796 10 0 ADAERN Cc1ccc2c(ccn2N)c1 82408947 168853297 /nfs/dbraw/zinc/85/32/97/168853297.db2.gz FCSRGPYSAUCMJN-UHFFFAOYSA-N 0 0 146.193 1.664 10 0 ADAERN Cc1ccc2c(n1)[C@H](O)CC2 196566610 168853403 /nfs/dbraw/zinc/85/34/03/168853403.db2.gz LDHCMFSRAIDXRB-MRVPVSSYSA-N 0 0 149.193 1.370 10 0 ADAERN Cc1ccc2c(n1)CCCNC2=O 196481583 168853680 /nfs/dbraw/zinc/85/36/80/168853680.db2.gz DBQYWOCZPGJAMD-UHFFFAOYSA-N 0 0 176.219 1.066 10 0 ADAERN Cc1ccc2c(n1)[C@@H](O)CCC2 39205462 168853999 /nfs/dbraw/zinc/85/39/99/168853999.db2.gz XZXFPXRTQDBCKK-VIFPVBQESA-N 0 0 163.220 1.760 10 0 ADAERN Cc1ccc2nc(C(=N)N)oc2c1 75847964 168854414 /nfs/dbraw/zinc/85/44/14/168854414.db2.gz RLXLSTZYLPZASV-UHFFFAOYSA-N 0 0 175.191 1.420 10 0 ADAERN Cc1ccc2nc(C(N)=O)sc2c1 45237753 168854417 /nfs/dbraw/zinc/85/44/17/168854417.db2.gz HDDYEBOCYNLAQA-UHFFFAOYSA-N 0 0 192.243 1.704 10 0 ADAERN Cc1ccc2n(c1=O)CCC2(C)C 256014625 168854446 /nfs/dbraw/zinc/85/44/46/168854446.db2.gz YXCNWWAEOXSGSE-UHFFFAOYSA-N 0 0 177.247 1.838 10 0 ADAERN Cc1ccc2n1C(=O)C=C2 39078031 168854542 /nfs/dbraw/zinc/85/45/42/168854542.db2.gz CHUQWNQKTNSSPC-UHFFFAOYSA-N 0 0 133.150 1.464 10 0 ADAERN Cc1ccc2n1C[C@@H](C)C2 39414371 168854564 /nfs/dbraw/zinc/85/45/64/168854564.db2.gz WVHIBUZKBJWBLY-ZETCQYMHSA-N 0 0 135.210 1.989 10 0 ADAERN Cc1ccc2nc(C=O)n(C)c2c1 82399460 168854807 /nfs/dbraw/zinc/85/48/07/168854807.db2.gz CVSQCODIVZYXBF-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN Cc1ccc2ccn(C)c(=O)c2c1 34224754 168855674 /nfs/dbraw/zinc/85/56/74/168855674.db2.gz NRYHHRUVAAECLC-UHFFFAOYSA-N 0 0 173.215 1.847 10 0 ADAERN Cc1ccc2nc(C(N)=S)cn2c1 36226540 168855685 /nfs/dbraw/zinc/85/56/85/168855685.db2.gz QLLFIQJWKCJDAF-UHFFFAOYSA-N 0 0 191.259 1.277 10 0 ADAERN Cc1ccc2cccc(ON)c2n1 76600300 168855718 /nfs/dbraw/zinc/85/57/18/168855718.db2.gz FCRGIUGWDJZIFO-UHFFFAOYSA-N 0 0 174.203 1.796 10 0 ADAERN Cc1ccc2nc(C)oc2n1 74329456 168855732 /nfs/dbraw/zinc/85/57/32/168855732.db2.gz ONMCRIXONKHAPC-UHFFFAOYSA-N 0 0 148.165 1.840 10 0 ADAERN Cc1ccc2nc(C(=N)NO)oc2c1 75848354 168855967 /nfs/dbraw/zinc/85/59/67/168855967.db2.gz PAEIPDAXXHHNOM-UHFFFAOYSA-N 0 0 191.190 1.440 10 0 ADAERN Cc1ccc2cc[nH]c(=O)n12 39079878 168855994 /nfs/dbraw/zinc/85/59/94/168855994.db2.gz AVPNRFOADIGLMB-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN Cc1ccc2oc(=O)c(N)nc2c1 75566192 168856272 /nfs/dbraw/zinc/85/62/72/168856272.db2.gz OBIJPKVGHFFAPP-UHFFFAOYSA-N 0 0 176.175 1.079 10 0 ADAERN Cc1ccc2nc([C@@H](N)CO)oc2c1 35279146 168856483 /nfs/dbraw/zinc/85/64/83/168856483.db2.gz APESMPNHGWQLHG-ZETCQYMHSA-N 0 0 192.218 1.128 10 0 ADAERN Cc1ccc2[nH]c(=O)oc2n1 26724637 168856828 /nfs/dbraw/zinc/85/68/28/168856828.db2.gz AJIPIXAYNVCKAL-UHFFFAOYSA-N 0 0 150.137 1.237 10 0 ADAERN Cc1ccc2nc3n(c2c1)CC[C@@H]3O 39017972 168857297 /nfs/dbraw/zinc/85/72/97/168857297.db2.gz FHPARWHYSHNJGP-JTQLQIEISA-N 0 0 188.230 1.782 10 0 ADAERN Cc1ccc2nc(N)c(N)nc2c1 39121595 168857680 /nfs/dbraw/zinc/85/76/80/168857680.db2.gz GPGFYRFJULOSFN-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN Cc1ccc2occ(CO)c(=O)c2c1 21952048 168857699 /nfs/dbraw/zinc/85/76/99/168857699.db2.gz GMLYUOBBDRXCLH-UHFFFAOYSA-N 0 0 190.198 1.594 10 0 ADAERN Cc1ccc2oc(=O)oc2c1 96328707 168857861 /nfs/dbraw/zinc/85/78/61/168857861.db2.gz BRIUYJYCNKTCIL-UHFFFAOYSA-N 0 0 150.133 1.694 10 0 ADAERN Cc1ccc2nc[nH]c(=O)c2c1F 75926432 168857874 /nfs/dbraw/zinc/85/78/74/168857874.db2.gz FZINRTUQVQFSET-UHFFFAOYSA-N 0 0 178.166 1.371 10 0 ADAERN Cc1ccc2[nH]c(=NN)[nH]c2c1 8701129 168857920 /nfs/dbraw/zinc/85/79/20/168857920.db2.gz PSAAYJVLEWHKFR-UHFFFAOYSA-N 0 0 162.196 1.157 10 0 ADAERN Cc1cccc(-c2nnc(N)n2C)c1 28531873 168858377 /nfs/dbraw/zinc/85/83/77/168858377.db2.gz QLYBNGSSAKTGAS-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cccc(-c2cn[nH]n2)c1 13671886 168858525 /nfs/dbraw/zinc/85/85/25/168858525.db2.gz XQHCBHNLRWLGQS-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 in-vitro ADAERN Cc1cccc(-c2cccnn2)n1 90398392 168858642 /nfs/dbraw/zinc/85/86/42/168858642.db2.gz OLDQIRIVNLJVHU-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN Cc1cccc(-c2nc(N)n[nH]2)c1C 19265260 168859110 /nfs/dbraw/zinc/85/91/10/168859110.db2.gz JQBDYWGWGVQURW-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN Cc1cccc(-c2cncc(=O)[nH]2)c1 44120038 168859670 /nfs/dbraw/zinc/85/96/70/168859670.db2.gz DIDOWRVOYORNRD-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1cccc(-c2ncno2)c1N 40454011 168859918 /nfs/dbraw/zinc/85/99/18/168859918.db2.gz HBOUFCIHNQTBIJ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1ccc2sc(N)[n+]([O-])c2c1 45237686 168859977 /nfs/dbraw/zinc/85/99/77/168859977.db2.gz UHXJDBJEELCVBT-UHFFFAOYSA-N 0 0 180.232 1.425 10 0 ADAERN Cc1cccc(-n2ccc(N)n2)n1 40516835 168860247 /nfs/dbraw/zinc/86/02/47/168860247.db2.gz LXFHXMCUNVGIOO-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cccc(=O)n1CCCCCO 51020248 168860264 /nfs/dbraw/zinc/86/02/64/168860264.db2.gz SWDSLLZVKOHHEK-UHFFFAOYSA-N 0 0 195.262 1.319 10 0 ADAERN Cc1cccc(/C=C/C(N)=O)c1 37387402 168860324 /nfs/dbraw/zinc/86/03/24/168860324.db2.gz NKYMWUCFRNQYQC-AATRIKPKSA-N 0 0 161.204 1.494 10 0 ADAERN Cc1cccc(C2N=NC(=S)O2)n1 34964294 168860420 /nfs/dbraw/zinc/86/04/20/168860420.db2.gz NCGGCLQCNUWUMO-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN Cc1cccc(C(=O)N2C[C@H]2C)c1 4743335 168860491 /nfs/dbraw/zinc/86/04/91/168860491.db2.gz JTMBESZNZQCEKS-PKEIRNPWSA-N 0 0 175.231 1.839 10 0 ADAERN Cc1cccc(-n2nc(C)nc2N)c1 54404526 168860497 /nfs/dbraw/zinc/86/04/97/168860497.db2.gz FQPFKYVSBSZPRA-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cccc(-n2cc(N)cn2)n1 40516473 168860960 /nfs/dbraw/zinc/86/09/60/168860960.db2.gz OGGALFVYNIQBDP-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cccc(C(=O)NC(C)C)c1N 8699956 168861004 /nfs/dbraw/zinc/86/10/04/168861004.db2.gz JHGAGJCUHXJCPF-UHFFFAOYSA-N 0 0 192.262 1.715 10 0 ADAERN Cc1cccc(C(=O)N(C)C)c1N 22213211 168861113 /nfs/dbraw/zinc/86/11/13/168861113.db2.gz GPFANNRQZRDGPK-UHFFFAOYSA-N 0 0 178.235 1.279 10 0 ADAERN Cc1cccc(=O)n1CCC[C@H](C)O 45621139 168861240 /nfs/dbraw/zinc/86/12/40/168861240.db2.gz XMPYXXQMDCPJDR-JTQLQIEISA-N 0 0 195.262 1.318 10 0 ADAERN Cc1cccc(/C=C\C(N)=O)c1 44258476 168861322 /nfs/dbraw/zinc/86/13/22/168861322.db2.gz NKYMWUCFRNQYQC-WAYWQWQTSA-N 0 0 161.204 1.494 10 0 ADAERN Cc1cccc(/C=C/C(N)=O)c1C 44259978 168861364 /nfs/dbraw/zinc/86/13/64/168861364.db2.gz GHTXJFQKVPJIGT-VOTSOKGWSA-N 0 0 175.231 1.802 10 0 ADAERN Cc1cccc(C(=O)N2C[C@@H]2C)c1 17322778 168861427 /nfs/dbraw/zinc/86/14/27/168861427.db2.gz JTMBESZNZQCEKS-QHGLUPRGSA-N 0 0 175.231 1.839 10 0 ADAERN Cc1cccc(C(N)=S)c1O 83339883 168861906 /nfs/dbraw/zinc/86/19/06/168861906.db2.gz GENWYMXYWCWHSM-UHFFFAOYSA-N 0 0 167.233 1.335 10 0 ADAERN Cc1cccc(C(N)=S)c1C 43314137 168862463 /nfs/dbraw/zinc/86/24/63/168862463.db2.gz QBKPJKJQRZFKFT-UHFFFAOYSA-N 0 0 165.261 1.938 10 0 ADAERN Cc1cccc(C(C)(C)O)n1 39326072 168862834 /nfs/dbraw/zinc/86/28/34/168862834.db2.gz ABBIAAYNPSBUFH-UHFFFAOYSA-N 0 0 151.209 1.617 10 0 ADAERN Cc1cccc(C(=O)c2ncc[nH]2)c1 39207338 168863278 /nfs/dbraw/zinc/86/32/78/168863278.db2.gz ROZWDZKHGNRIIQ-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN Cc1cccc(C)c1N1CCNC1=O 39074919 168863325 /nfs/dbraw/zinc/86/33/25/168863325.db2.gz QSVZRGABVULPBM-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN Cc1cccc(C)c1ON 34628190 168864605 /nfs/dbraw/zinc/86/46/05/168864605.db2.gz HCCIFYUIVCQULU-UHFFFAOYSA-N 0 0 137.182 1.556 10 0 ADAERN Cc1cccc(C[C@@H](C)O)c1 32005640 168865463 /nfs/dbraw/zinc/86/54/63/168865463.db2.gz NDHSAOUBOXJOFW-SECBINFHSA-N 0 0 150.221 1.918 10 0 ADAERN Cc1cccc(CNc2nc[nH]n2)c1 83341369 168865583 /nfs/dbraw/zinc/86/55/83/168865583.db2.gz OQGGEXQBARCLAH-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN Cc1cccc(CN(C)N)c1 71495390 168865868 /nfs/dbraw/zinc/86/58/68/168865868.db2.gz KIVVSMLNCATUHY-UHFFFAOYSA-N 0 0 150.225 1.301 10 0 ADAERN Cc1cccc(C[C@H](C)O)c1 32005643 168866370 /nfs/dbraw/zinc/86/63/70/168866370.db2.gz NDHSAOUBOXJOFW-VIFPVBQESA-N 0 0 150.221 1.918 10 0 ADAERN Cc1cccc(CN2CCNC2=O)c1 215770 168866428 /nfs/dbraw/zinc/86/64/28/168866428.db2.gz PQOGTJPIHKQBQX-UHFFFAOYSA-N 0 0 190.246 1.520 10 0 ADAERN Cc1cccc(C[S@@](C)=O)c1N 39616746 168867070 /nfs/dbraw/zinc/86/70/70/168867070.db2.gz KJAVHKNFZRTYBK-LBPRGKRZSA-N 0 0 183.276 1.456 10 0 ADAERN Cc1cccc(N(C)N)c1C 41167120 168867181 /nfs/dbraw/zinc/86/71/81/168867181.db2.gz ZVZMJYAFRCMTTA-UHFFFAOYSA-N 0 0 150.225 1.613 10 0 ADAERN Cc1cccc(C[S@](C)=O)c1N 39616745 168867195 /nfs/dbraw/zinc/86/71/95/168867195.db2.gz KJAVHKNFZRTYBK-GFCCVEGCSA-N 0 0 183.276 1.456 10 0 ADAERN Cc1cccc(N(C)C#N)c1 38433730 168867379 /nfs/dbraw/zinc/86/73/79/168867379.db2.gz SJHNNYFGKYMPGJ-UHFFFAOYSA-N 0 0 146.193 1.912 10 0 ADAERN Cc1cccc(Cc2nccc(N)n2)c1 50847162 168867529 /nfs/dbraw/zinc/86/75/29/168867529.db2.gz XWSFHLCLJLMKBA-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN Cc1cccc(N)c1C(=O)NC1CC1 19259511 168867535 /nfs/dbraw/zinc/86/75/35/168867535.db2.gz XXIVZGRAMUKGFU-UHFFFAOYSA-N 0 0 190.246 1.469 10 0 ADAERN Cc1cccc(N(C)[C@@H](C)CO)n1 124562803 168867537 /nfs/dbraw/zinc/86/75/37/168867537.db2.gz HVDKNJOTIBIJGD-VIFPVBQESA-N 0 0 180.251 1.207 10 0 ADAERN Cc1cccc(-n2[nH]c(N)cc2=O)c1 82390971 168867567 /nfs/dbraw/zinc/86/75/67/168867567.db2.gz DIIPSIQVFLJZPH-UHFFFAOYSA-N 0 0 189.218 1.004 10 0 ADAERN Cc1cccc(N(C)C)c1O 95710979 168867757 /nfs/dbraw/zinc/86/77/57/168867757.db2.gz YIPOZCUQAAQDJV-UHFFFAOYSA-N 0 0 151.209 1.767 10 0 ADAERN Cc1cccc(N)c1-c1nnco1 19510824 168867860 /nfs/dbraw/zinc/86/78/60/168867860.db2.gz RLYRHPLXBPJCSP-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1cccc(N)c1N(C)C 95922549 168867925 /nfs/dbraw/zinc/86/79/25/168867925.db2.gz RGTPGHAREIWEFO-UHFFFAOYSA-N 0 0 150.225 1.643 10 0 ADAERN Cc1cccc(NC#N)c1 38915863 168867961 /nfs/dbraw/zinc/86/79/61/168867961.db2.gz XCCLGXDHWKXYNS-UHFFFAOYSA-N 0 0 132.166 1.888 10 0 ADAERN Cc1cccc(N2CCC(=O)C2=O)c1 49646881 168868109 /nfs/dbraw/zinc/86/81/09/168868109.db2.gz MWYRNLPYYOGFEF-UHFFFAOYSA-N 0 0 189.214 1.301 10 0 ADAERN Cc1cccc(N(C)C(=O)C2CC2)n1 334378290 168868478 /nfs/dbraw/zinc/86/84/78/168868478.db2.gz HATFHIFSAUCCRO-UHFFFAOYSA-N 0 0 190.246 1.763 10 0 ADAERN Cc1cccc(N2CC2)c1 18899602 168868568 /nfs/dbraw/zinc/86/85/68/168868568.db2.gz LYTSWFJENBDTLQ-UHFFFAOYSA-N 0 0 133.194 1.815 10 0 ADAERN Cc1cccc(NC(=O)CC(N)=O)n1 336011459 168869297 /nfs/dbraw/zinc/86/92/97/168869297.db2.gz XDDSLMYOBRGQOT-UHFFFAOYSA-N 0 0 193.206 1.254 10 0 ADAERN Cc1cccc(NC(=O)C[C@@H](C)O)c1 21952564 168869450 /nfs/dbraw/zinc/86/94/50/168869450.db2.gz FKSBGLDPKWGWQT-SECBINFHSA-N 0 0 193.246 1.704 10 0 ADAERN Cc1cccc(NC(C)(C)C(N)=O)n1 40675358 168869755 /nfs/dbraw/zinc/86/97/55/168869755.db2.gz CUIRCHAQHZIVPP-UHFFFAOYSA-N 0 0 193.250 1.066 10 0 ADAERN Cc1cccc(NC2CC2)n1 37670485 168869877 /nfs/dbraw/zinc/86/98/77/168869877.db2.gz UZQBAAWUEDTHDL-UHFFFAOYSA-N 0 0 148.209 1.964 10 0 ADAERN Cc1cccc(NC(=O)CCO)c1C 49807076 168869907 /nfs/dbraw/zinc/86/99/07/168869907.db2.gz RLKWCOWSBGXILO-UHFFFAOYSA-N 0 0 193.246 1.624 10 0 ADAERN Cc1cccc(NC(C)(C)C(N)=O)c1 37943391 168869979 /nfs/dbraw/zinc/86/99/79/168869979.db2.gz TXWXRTGEWMURDK-UHFFFAOYSA-N 0 0 192.262 1.671 10 0 ADAERN Cc1cccc(O)c1N(C)C 95774820 168871437 /nfs/dbraw/zinc/87/14/37/168871437.db2.gz YIBHVNDOHYHYCL-UHFFFAOYSA-N 0 0 151.209 1.767 10 0 ADAERN Cc1cccc(O)c1[C@H](C)O 14491194 168871614 /nfs/dbraw/zinc/87/16/14/168871614.db2.gz QEXSZZROSHSOPE-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN Cc1cccc([C@@H]2CNC(=O)CO2)c1 72232720 168872450 /nfs/dbraw/zinc/87/24/50/168872450.db2.gz YWAWTQSWHCQGLN-JTQLQIEISA-N 0 0 191.230 1.183 10 0 ADAERN Cc1cccc([C@@H](O)C(=O)N(C)C)c1 77277862 168873568 /nfs/dbraw/zinc/87/35/68/168873568.db2.gz YDWJCKNJGNLFDG-SNVBAGLBSA-N 0 0 193.246 1.117 10 0 ADAERN Cc1cccc([C@@H]2CNC(=O)N2C)c1 77275223 168873658 /nfs/dbraw/zinc/87/36/58/168873658.db2.gz PREPKIXNLYBHAE-JTQLQIEISA-N 0 0 190.246 1.691 10 0 ADAERN Cc1cccc([C@H](C)[NH2+]CC(=O)[O-])c1 37250974 168873799 /nfs/dbraw/zinc/87/37/99/168873799.db2.gz ODYWYCUUIRISJO-VIFPVBQESA-N 0 0 193.246 1.730 10 0 ADAERN Cc1cccc([C@H]2CNC(=O)CO2)c1 72232721 168873813 /nfs/dbraw/zinc/87/38/13/168873813.db2.gz YWAWTQSWHCQGLN-SNVBAGLBSA-N 0 0 191.230 1.183 10 0 ADAERN Cc1cccc([C@@H]2OC[C@@H](CO)O2)c1 49807339 168873996 /nfs/dbraw/zinc/87/39/96/168873996.db2.gz XLVLEVXYDLRZDW-GHMZBOCLSA-N 0 0 194.230 1.401 10 0 in-man ADAERN Cc1cccc([C@H]2CCC(=O)NC2)c1 58520936 168874437 /nfs/dbraw/zinc/87/44/37/168874437.db2.gz QZMFDIKNWOLZQK-NSHDSACASA-N 0 0 189.258 1.989 10 0 ADAERN Cc1cccc([C@H]2CCNC(=O)N2)c1 77275162 168874537 /nfs/dbraw/zinc/87/45/37/168874537.db2.gz CPVQRPKHHUIQFT-SNVBAGLBSA-N 0 0 190.246 1.739 10 0 ADAERN Cc1cccc([C@@H]2OC[C@H](CO)O2)c1 49807336 168874757 /nfs/dbraw/zinc/87/47/57/168874757.db2.gz XLVLEVXYDLRZDW-WDEREUQCSA-N 0 0 194.230 1.401 10 0 in-man ADAERN Cc1cccc([C@H](C)NC(N)=O)c1 306995136 168875204 /nfs/dbraw/zinc/87/52/04/168875204.db2.gz PKGOSPUIYFFFRR-QMMMGPOBSA-N 0 0 178.235 1.724 10 0 ADAERN Cc1cccc2c(CCO)noc12 31887473 168875444 /nfs/dbraw/zinc/87/54/44/168875444.db2.gz VYQNUCLZDUPDSS-UHFFFAOYSA-N 0 0 177.203 1.671 10 0 ADAERN Cc1cccc([C@H]2COCCN2)n1 82870519 168875563 /nfs/dbraw/zinc/87/55/63/168875563.db2.gz LFPRNCMMCJNAPI-SNVBAGLBSA-N 0 0 178.235 1.051 10 0 ADAERN Cc1cccc2c(CO)cn(C)c12 59731775 168876081 /nfs/dbraw/zinc/87/60/81/168876081.db2.gz ODAKCTALIIAAAU-UHFFFAOYSA-N 0 0 175.231 1.979 10 0 ADAERN Cc1cccc2c(C(N)=O)ccnc12 299890052 168876099 /nfs/dbraw/zinc/87/60/99/168876099.db2.gz SVAWPJZHVGWEHL-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 ADAERN Cc1cccc2[nH]c(=O)n(C)c12 95922554 168876193 /nfs/dbraw/zinc/87/61/93/168876193.db2.gz KRDJMORAXKXTKY-UHFFFAOYSA-N 0 0 162.192 1.175 10 0 ADAERN Cc1cccc([C@H]2OCCN2C)c1 33856849 168876560 /nfs/dbraw/zinc/87/65/60/168876560.db2.gz VTPSLACKECFKOC-LLVKDONJSA-N 0 0 177.247 1.956 10 0 ADAERN Cc1cccc2[nH]c(=O)cnc12 45817444 168876574 /nfs/dbraw/zinc/87/65/74/168876574.db2.gz LSAZSONOFASSJF-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN Cc1cccc2c(=O)c(C=O)coc12 33495150 168876842 /nfs/dbraw/zinc/87/68/42/168876842.db2.gz XGEOACJQBOXGAY-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN Cc1cccc2[nH]nc(CO)c12 80719747 168877245 /nfs/dbraw/zinc/87/72/45/168877245.db2.gz AHRPGBRGQWBPOB-UHFFFAOYSA-N 0 0 162.192 1.364 10 0 ADAERN Cc1cccc2c1C[NH2+]C[C@H]2C(=O)[O-] 82806838 168877456 /nfs/dbraw/zinc/87/74/56/168877456.db2.gz GCCBXVHXIDALOS-SNVBAGLBSA-N 0 0 191.230 1.266 10 0 ADAERN Cc1cccc2c1NC[C@@H](CO)C2 11633096 168877584 /nfs/dbraw/zinc/87/75/84/168877584.db2.gz VIXWAYVFULLOEV-VIFPVBQESA-N 0 0 177.247 1.572 10 0 ADAERN Cc1cccc2c1NCCC(=O)C2 82399053 168877641 /nfs/dbraw/zinc/87/76/41/168877641.db2.gz AFCIHAFXDHSXTI-UHFFFAOYSA-N 0 0 175.231 1.922 10 0 ADAERN Cc1cccc2c1/C(=C/C(N)=O)CC2 27331462 168877650 /nfs/dbraw/zinc/87/76/50/168877650.db2.gz AHPHMRSTZBGPTP-JXMROGBWSA-N 0 0 187.242 1.810 10 0 ADAERN Cc1cccc2c1NCC(=O)N2 39074294 168878373 /nfs/dbraw/zinc/87/83/73/168878373.db2.gz CFQKMBGJKDUSKB-UHFFFAOYSA-N 0 0 162.192 1.359 10 0 ADAERN Cc1cccc2c1NC[C@H](CO)C2 11633095 168878450 /nfs/dbraw/zinc/87/84/50/168878450.db2.gz VIXWAYVFULLOEV-SECBINFHSA-N 0 0 177.247 1.572 10 0 ADAERN Cc1cccc2c1C(=S)NC2=O 1688086 168878827 /nfs/dbraw/zinc/87/88/27/168878827.db2.gz GNOBXPYOYDRCPZ-UHFFFAOYSA-N 0 0 177.228 1.414 10 0 ADAERN Cc1cccc2c1SC(=O)C2=O 146318009 168879298 /nfs/dbraw/zinc/87/92/98/168879298.db2.gz MTIXYUVQMDNLJT-UHFFFAOYSA-N 0 0 178.212 1.810 10 0 ADAERN Cc1cccc2c1[C@@H](CCO)CN2 144018124 168879493 /nfs/dbraw/zinc/87/94/93/168879493.db2.gz JYRCEHDULJABLO-VIFPVBQESA-N 0 0 177.247 1.887 10 0 ADAERN Cc1cccc2c1[C@@H](O)N(C)C2=O 196393733 168879670 /nfs/dbraw/zinc/87/96/70/168879670.db2.gz AUQONUAMQOBVRC-SNVBAGLBSA-N 0 0 177.203 1.072 10 0 ADAERN Cc1cccc2c[n+]([O-])ccc12 39060334 168879789 /nfs/dbraw/zinc/87/97/89/168879789.db2.gz AYWKXVQJDFPCTP-UHFFFAOYSA-N 0 0 159.188 1.782 10 0 ADAERN Cc1cccc2c1OC[C@@H](C)C(=O)N2 62521053 168880300 /nfs/dbraw/zinc/88/03/00/168880300.db2.gz WYNIMSLRMZZIIL-MRVPVSSYSA-N 0 0 191.230 1.962 10 0 ADAERN Cc1cccc2nc(N)oc(=O)c12 27526484 168880938 /nfs/dbraw/zinc/88/09/38/168880938.db2.gz IWDSHKKVEJJFNM-UHFFFAOYSA-N 0 0 176.175 1.079 10 0 ADAERN Cc1cccc2ncc[n+]([O-])c12 36471483 168880941 /nfs/dbraw/zinc/88/09/41/168880941.db2.gz NSJKZZYTKCSBGX-UHFFFAOYSA-N 0 0 160.176 1.177 10 0 ADAERN Cc1ccccc1-c1c[nH]c(=O)[nH]1 42750028 168881423 /nfs/dbraw/zinc/88/14/23/168881423.db2.gz LLBMMBZOTLJWCF-UHFFFAOYSA-N 0 0 174.203 1.678 10 0 ADAERN Cc1cccc2ncncc12 24602353 168881539 /nfs/dbraw/zinc/88/15/39/168881539.db2.gz YNDGNDSFWJAXST-UHFFFAOYSA-N 0 0 144.177 1.938 10 0 ADAERN Cc1cccc2oc(=O)oc12 148942846 168881637 /nfs/dbraw/zinc/88/16/37/168881637.db2.gz SIMJDSYMDNYTNC-UHFFFAOYSA-N 0 0 150.133 1.694 10 0 ADAERN Cc1cccc2[nH]c(=NN)sc12 45237205 168881669 /nfs/dbraw/zinc/88/16/69/168881669.db2.gz DGKGVSMWSIEPEK-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN Cc1cccc2nc(CN)oc12 62498500 168881994 /nfs/dbraw/zinc/88/19/94/168881994.db2.gz RGWMZOHIMDYNJX-UHFFFAOYSA-N 0 0 162.192 1.595 10 0 ADAERN Cc1ccccc1-c1cc[nH]c(=O)n1 44117114 168882192 /nfs/dbraw/zinc/88/21/92/168882192.db2.gz USIJYFMQTQIERK-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1cccc2ccnc(C(N)=O)c12 82769187 168882252 /nfs/dbraw/zinc/88/22/52/168882252.db2.gz CBSOUXZRAVQHTJ-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 ADAERN Cc1cccc2ncc(N)nc12 114746001 168882415 /nfs/dbraw/zinc/88/24/15/168882415.db2.gz DXMWSUCHEIBQGM-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN Cc1ccccc1-c1ncc(N)nn1 77272780 168883029 /nfs/dbraw/zinc/88/30/29/168883029.db2.gz FEBJDZVVDHYADI-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccccc1-c1noc(=O)n1C 334299156 168883034 /nfs/dbraw/zinc/88/30/34/168883034.db2.gz PYLPQVLQQFHFBB-UHFFFAOYSA-N 0 0 190.202 1.349 10 0 ADAERN Cc1cccn2cc(C(N)=S)nc12 36226538 168883841 /nfs/dbraw/zinc/88/38/41/168883841.db2.gz SYFDCCOVLURKLU-UHFFFAOYSA-N 0 0 191.259 1.277 10 0 ADAERN Cc1ccccc1[C@H]1CNC(=O)N1C 77275218 168883887 /nfs/dbraw/zinc/88/38/87/168883887.db2.gz ZYPYQXOCGNLPRG-SNVBAGLBSA-N 0 0 190.246 1.691 10 0 ADAERN Cc1cccnc1-c1nnc(N)s1 51813364 168884395 /nfs/dbraw/zinc/88/43/95/168884395.db2.gz CJWUDLVKQJTZMN-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cccn2c(CO)c(Cl)nc12 82695341 168884613 /nfs/dbraw/zinc/88/46/13/168884613.db2.gz NSVXMHIRKCYUEU-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN Cc1ccn(-c2nccc(Cl)n2)n1 44117940 168885353 /nfs/dbraw/zinc/88/53/53/168885353.db2.gz MWSICOJFQGSYIM-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1ccn(-c2cncc(O)c2)n1 72192793 168885432 /nfs/dbraw/zinc/88/54/32/168885432.db2.gz KHIZVISAQGJXMT-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN Cc1ccn(C(=O)c2ccccc2)n1 504477 168885506 /nfs/dbraw/zinc/88/55/06/168885506.db2.gz FHOIVCCBYWTHAC-UHFFFAOYSA-N 0 0 186.214 1.880 10 0 ADAERN Cc1cccnc1N[C@H](C)CO 51040912 168885836 /nfs/dbraw/zinc/88/58/36/168885836.db2.gz MBHYDUNOJSKORE-MRVPVSSYSA-N 0 0 166.224 1.183 10 0 ADAERN Cc1ccn(-c2cncc(Cl)n2)n1 52855925 168886502 /nfs/dbraw/zinc/88/65/02/168886502.db2.gz QYMDFHOZYSFBJY-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1ccn(C(=O)c2ccoc2C)n1 504488 168886561 /nfs/dbraw/zinc/88/65/61/168886561.db2.gz JBIUKCKECVYGSR-UHFFFAOYSA-N 0 0 190.202 1.781 10 0 ADAERN Cc1cccnc1[C@H]1COCCN1 83272860 168886677 /nfs/dbraw/zinc/88/66/77/168886677.db2.gz JGVRPGWZPAPHBW-SECBINFHSA-N 0 0 178.235 1.051 10 0 ADAERN Cc1ccn(-c2cccc(F)c2N)n1 52855829 168886943 /nfs/dbraw/zinc/88/69/43/168886943.db2.gz ZHIGYGNVKNSRPW-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1ccn(-c2cc(Cl)ncn2)n1 44117930 168887058 /nfs/dbraw/zinc/88/70/58/168887058.db2.gz JQPUSRNUWZELKI-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1ccn(-c2cc(F)ccc2N)n1 52855834 168887079 /nfs/dbraw/zinc/88/70/79/168887079.db2.gz RSXTVXZCVPZPJR-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1cccnc1NC#N 72231188 168887115 /nfs/dbraw/zinc/88/71/15/168887115.db2.gz GOIRZBYOGVRVST-UHFFFAOYSA-N 0 0 133.154 1.283 10 0 ADAERN Cc1cccnc1N=O 39052081 168887304 /nfs/dbraw/zinc/88/73/04/168887304.db2.gz CRXRBDHMQXENCG-UHFFFAOYSA-N 0 0 122.127 1.788 10 0 ADAERN Cc1ccn(-c2ncc(N)cc2C)n1 52855836 168887315 /nfs/dbraw/zinc/88/73/15/168887315.db2.gz RBLUHVWLCNMZCK-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ccn(-c2cncc(N)c2)n1 72192792 168887340 /nfs/dbraw/zinc/88/73/40/168887340.db2.gz KLYBYSFLSCFOBP-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccnc(-c2nsc(N)n2)c1 67173657 168887523 /nfs/dbraw/zinc/88/75/23/168887523.db2.gz BNBNEGLRNXFWCH-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ccnc(-c2ccccc2)[n+]1[O-] 104855824 168887825 /nfs/dbraw/zinc/88/78/25/168887825.db2.gz ADCDOIHQNJLMPK-UHFFFAOYSA-N 0 0 186.214 1.690 10 0 ADAERN Cc1ccnc(-c2nccc(C)n2)n1 34412760 168887943 /nfs/dbraw/zinc/88/79/43/168887943.db2.gz RUUNWKCLQRPHLM-UHFFFAOYSA-N 0 0 186.218 1.550 10 0 ADAERN Cc1ccn(CC2CCC2)n1 83842141 168888089 /nfs/dbraw/zinc/88/80/89/168888089.db2.gz NUWQRSOROFOALZ-UHFFFAOYSA-N 0 0 150.225 1.992 10 0 ADAERN Cc1ccn2c(C3CC3)nnc2c1N 36251970 168888158 /nfs/dbraw/zinc/88/81/58/168888158.db2.gz WGOZMXNLBUIWAN-UHFFFAOYSA-N 0 0 188.234 1.497 10 0 ADAERN Cc1ccn(Cc2ccccn2)n1 70687814 168888306 /nfs/dbraw/zinc/88/83/06/168888306.db2.gz VPTBCHDEQCYXCF-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN Cc1ccn(C)c1C(=O)N[C@@H]1C[C@H]1C 336063485 168888318 /nfs/dbraw/zinc/88/83/18/168888318.db2.gz WDPJUEGCFQCPJX-RKDXNWHRSA-N 0 0 192.262 1.472 10 0 ADAERN Cc1ccn2cc(Cl)nc2n1 89229077 168888946 /nfs/dbraw/zinc/88/89/46/168888946.db2.gz UJKUTNHRJIKFBD-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN Cc1ccn2c(CO)c(Cl)nc2c1 82694882 168888973 /nfs/dbraw/zinc/88/89/73/168888973.db2.gz IRIPEOKMLQGQIF-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN Cc1ccnc(S[C@@H]2CCOC2)n1 306508968 168889231 /nfs/dbraw/zinc/88/92/31/168889231.db2.gz AZGTYOZWZDLKON-MRVPVSSYSA-N 0 0 196.275 1.666 10 0 ADAERN Cc1ccnc(N[C@H]2CO[C@H](C)C2)c1 335441255 168889232 /nfs/dbraw/zinc/88/92/32/168889232.db2.gz RSLFRCUIGRQBIV-NXEZZACHSA-N 0 0 192.262 1.979 10 0 ADAERN Cc1ccnc(NC[C@@H]2C[C@H]2C)n1 124664888 168889413 /nfs/dbraw/zinc/88/94/13/168889413.db2.gz IVMZODGTGLEGMJ-APPZFPTMSA-N 0 0 177.251 1.853 10 0 ADAERN Cc1ccnc(N[C@@H]2CC[C@@H]2C)n1 307448891 168889516 /nfs/dbraw/zinc/88/95/16/168889516.db2.gz ZRHKCRLFJNFKSY-IONNQARKSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccnc([C@H](N)C(F)(F)F)c1 95761340 168889523 /nfs/dbraw/zinc/88/95/23/168889523.db2.gz SSJHIJDXYWRSKH-ZETCQYMHSA-N 0 0 190.168 1.952 10 0 ADAERN Cc1ccnc(N[C@@H]2C[C@@H]2C)n1 61859486 168889784 /nfs/dbraw/zinc/88/97/84/168889784.db2.gz SZRNEFFTZYOPKR-POYBYMJQSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1ccnc(N[C@@H]2C[C@H]2C2CC2)n1 306184986 168889987 /nfs/dbraw/zinc/88/99/87/168889987.db2.gz QRCZPVVVLIXCSI-VHSXEESVSA-N 0 0 189.262 1.995 10 0 ADAERN Cc1ccnc(N[C@@H]2C[C@H]2C)n1 61859488 168890031 /nfs/dbraw/zinc/89/00/31/168890031.db2.gz SZRNEFFTZYOPKR-HTRCEHHLSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1ccnc(NCc2ccc[nH]2)n1 83341367 168890126 /nfs/dbraw/zinc/89/01/26/168890126.db2.gz UIAPTIDBJYLPIL-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN Cc1ccnc(NC(=O)CC(N)=O)c1 336604544 168890176 /nfs/dbraw/zinc/89/01/76/168890176.db2.gz PSSNYUHXTFZZJJ-UHFFFAOYSA-N 0 0 193.206 1.254 10 0 ADAERN Cc1ccnc(N2[C@H](C)C[C@H]2C)n1 306814645 168890264 /nfs/dbraw/zinc/89/02/64/168890264.db2.gz AXGHGWNHVLYLJU-RKDXNWHRSA-N 0 0 177.251 1.772 10 0 ADAERN Cc1ccnc(N[C@H]2C[C@H]2C)n1 61859489 168890585 /nfs/dbraw/zinc/89/05/85/168890585.db2.gz SZRNEFFTZYOPKR-SVRRBLITSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1ccnc2cnccc12 24602414 168890940 /nfs/dbraw/zinc/89/09/40/168890940.db2.gz NUWRWVNNXLNLIB-UHFFFAOYSA-N 0 0 144.177 1.938 10 0 ADAERN Cc1ccnc2onc(N)c12 41167094 168891399 /nfs/dbraw/zinc/89/13/99/168891399.db2.gz FBAQTPMAXCGMFM-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN Cc1ccncc1CN1CC(F)C1 306301683 168891416 /nfs/dbraw/zinc/89/14/16/168891416.db2.gz GQGMVJGKTKWIPJ-UHFFFAOYSA-N 0 0 180.226 1.544 10 0 ADAERN Cc1ccnc2c1c(N)c(C)n2C 82399007 168891913 /nfs/dbraw/zinc/89/19/13/168891913.db2.gz MUPNNOJMVFBOJG-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN Cc1ccoc1C(=O)N[C@H]1CC12CC2 335565309 168892877 /nfs/dbraw/zinc/89/28/77/168892877.db2.gz RLSJLTNNKLHCBB-QMMMGPOBSA-N 0 0 191.230 1.870 10 0 ADAERN Cc1ccoc1-c1nnc(CN)o1 50273202 168893160 /nfs/dbraw/zinc/89/31/60/168893160.db2.gz BNRSLMOHWFNDHK-UHFFFAOYSA-N 0 0 179.179 1.097 10 0 ADAERN Cc1ccoc1C1OCCO1 137788378 168893210 /nfs/dbraw/zinc/89/32/10/168893210.db2.gz CBOJZZMYHUVISR-UHFFFAOYSA-N 0 0 154.165 1.633 10 0 ADAERN Cc1ccoc1CN1CC(F)C1 307098977 168893407 /nfs/dbraw/zinc/89/34/07/168893407.db2.gz RIMGELFVTIHVEY-UHFFFAOYSA-N 0 0 169.199 1.742 10 0 ADAERN Cc1ccoc1C(=O)c1nccn1C 41048266 168893457 /nfs/dbraw/zinc/89/34/57/168893457.db2.gz KCRQIJRUTBGCRG-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN Cc1ccnn1-c1ccc(N)cn1 48218412 168893647 /nfs/dbraw/zinc/89/36/47/168893647.db2.gz QVNBFBGVSDCKQO-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccoc1C(=O)Cc1ncc[nH]1 35369697 168893828 /nfs/dbraw/zinc/89/38/28/168893828.db2.gz RHFCNDGEHHKECF-UHFFFAOYSA-N 0 0 190.202 1.737 10 0 ADAERN Cc1ccoc1C(=O)N[C@H]1C[C@@H]1C 306292930 168894066 /nfs/dbraw/zinc/89/40/66/168894066.db2.gz TUARDLPGLTVNSP-YUMQZZPRSA-N 0 0 179.219 1.726 10 0 ADAERN Cc1ccoc1C1N=NC(=S)O1 26516077 168894176 /nfs/dbraw/zinc/89/41/76/168894176.db2.gz GABZEUFUVMLGEP-UHFFFAOYSA-N 0 0 182.204 1.927 10 0 ADAERN Cc1ccoc1[C@H](C)O 34621571 168894755 /nfs/dbraw/zinc/89/47/55/168894755.db2.gz PSLKWYSLHAWWFG-LURJTMIESA-N 0 0 126.155 1.641 10 0 ADAERN Cc1ccsc1NC=O 334146 168895314 /nfs/dbraw/zinc/89/53/14/168895314.db2.gz USKFWPGGYJOJBN-UHFFFAOYSA-N 0 0 141.195 1.625 10 0 ADAERN Cc1cn(C)c2ncccc12 39050359 168896400 /nfs/dbraw/zinc/89/64/00/168896400.db2.gz VAJNGTYVVRDADQ-UHFFFAOYSA-N 0 0 146.193 1.882 10 0 ADAERN Cc1cn(-c2csc(N)n2)cn1 72192582 168896653 /nfs/dbraw/zinc/89/66/53/168896653.db2.gz MHZCXHOTMSQHGY-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cn(-c2ccccn2)nc1N 54404845 168896753 /nfs/dbraw/zinc/89/67/53/168896753.db2.gz VGCMJVATGFLLQV-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccsc1[C@H](N)c1ncon1 41674641 168897370 /nfs/dbraw/zinc/89/73/70/168897370.db2.gz LXUOBSWNUHPCQU-LURJTMIESA-N 0 0 195.247 1.488 10 0 ADAERN Cc1cn(C)c(CF)n1 211870348 168898066 /nfs/dbraw/zinc/89/80/66/168898066.db2.gz XZTRCQHRRYBXCM-UHFFFAOYSA-N 0 0 128.150 1.198 10 0 ADAERN Cc1cn2cc(NC(N)=O)ccc2n1 335673394 168898326 /nfs/dbraw/zinc/89/83/26/168898326.db2.gz ZYUIAXHNELHBHB-UHFFFAOYSA-N 0 0 190.206 1.133 10 0 ADAERN Cc1cn2c(n1)CCC2 26507005 168898376 /nfs/dbraw/zinc/89/83/76/168898376.db2.gz FFEUHXDQNGETPU-UHFFFAOYSA-N 0 0 122.171 1.138 10 0 ADAERN Cc1cn2ccc(C)c(O)c2n1 39081682 168898643 /nfs/dbraw/zinc/89/86/43/168898643.db2.gz NJUDSROULHHHCX-UHFFFAOYSA-N 0 0 162.192 1.657 10 0 ADAERN Cc1cn2c(n1)c(=O)[nH]c1ccccc12 13054 168898702 /nfs/dbraw/zinc/89/87/02/168898702.db2.gz SISRFMJKDBQDEO-UHFFFAOYSA-N 0 0 199.213 1.484 10 0 ADAERN Cc1cn2ccc(C)c(N)c2n1 36243629 168899026 /nfs/dbraw/zinc/89/90/26/168899026.db2.gz IGCUNLURRWBHJE-UHFFFAOYSA-N 0 0 161.208 1.533 10 0 ADAERN Cc1cn(N)c2ccccc12 96304620 168899763 /nfs/dbraw/zinc/89/97/63/168899763.db2.gz PPIMNKBXUAJCTQ-UHFFFAOYSA-N 0 0 146.193 1.664 10 0 ADAERN Cc1cn([C@H]2CCCC[C@H]2O)nc1N 54600324 168899940 /nfs/dbraw/zinc/89/99/40/168899940.db2.gz XELGZOZILHQLFJ-DTWKUNHWSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1cn2ncc(Cl)c2[nH]1 39133931 168900151 /nfs/dbraw/zinc/90/01/51/168900151.db2.gz KHCKBTWMIFSCON-UHFFFAOYSA-N 0 0 155.588 1.624 10 0 ADAERN Cc1cnc(C(=O)N[C@@H]2CC[C@@H]2C)o1 336103711 168900211 /nfs/dbraw/zinc/90/02/11/168900211.db2.gz XYFDNRAMLFNALZ-POYBYMJQSA-N 0 0 194.234 1.511 10 0 ADAERN Cc1cnc(C(=O)N[C@@H]2C[C@H]2C)o1 307144823 168900466 /nfs/dbraw/zinc/90/04/66/168900466.db2.gz MAJBXXJSWZCQPP-IYSWYEEDSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1cnc(C(=O)N[C@H]2CC[C@@H]2C)o1 336103713 168900883 /nfs/dbraw/zinc/90/08/83/168900883.db2.gz XYFDNRAMLFNALZ-XPUUQOCRSA-N 0 0 194.234 1.511 10 0 ADAERN Cc1cnc(C(=O)NC2CC2)s1 75908099 168901060 /nfs/dbraw/zinc/90/10/60/168901060.db2.gz GTWWSSBFWNRMSH-UHFFFAOYSA-N 0 0 182.248 1.344 10 0 ADAERN Cc1cnc(-c2ccncc2)nc1N 39221575 168901113 /nfs/dbraw/zinc/90/11/13/168901113.db2.gz OZQWBFMYEFXYRX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cnc(C)c(CO)c1 39050933 168901340 /nfs/dbraw/zinc/90/13/40/168901340.db2.gz XDBBDSXKVUTSAG-UHFFFAOYSA-N 0 0 137.182 1.191 10 0 ADAERN Cc1cnc(C(=O)NC[C@H]2C[C@H]2C)o1 336420868 168901501 /nfs/dbraw/zinc/90/15/01/168901501.db2.gz QAMCNLJDFGZANE-HTRCEHHLSA-N 0 0 194.234 1.369 10 0 ADAERN Cc1cnc(C(F)(F)F)nc1NN 26440890 168901612 /nfs/dbraw/zinc/90/16/12/168901612.db2.gz CWLHAFHSGQATTA-UHFFFAOYSA-N 0 0 192.144 1.089 10 0 ADAERN Cc1cnc(C=O)cc1F 95768529 168902517 /nfs/dbraw/zinc/90/25/17/168902517.db2.gz QKPDAMALKUQYQZ-UHFFFAOYSA-N 0 0 139.129 1.342 10 0 ADAERN Cc1cnc(CN2C[C@@H](C)[C@H]2C)cn1 334271559 168902730 /nfs/dbraw/zinc/90/27/30/168902730.db2.gz VIRRUDMTXWCZQX-PSASIEDQSA-N 0 0 191.278 1.625 10 0 ADAERN Cc1cnc(CN2CC(F)C2)s1 335574296 168902833 /nfs/dbraw/zinc/90/28/33/168902833.db2.gz BQYDVSRNXJBIMY-UHFFFAOYSA-N 0 0 186.255 1.605 10 0 ADAERN Cc1cnc(C)c(NCCF)n1 306172752 168903331 /nfs/dbraw/zinc/90/33/31/168903331.db2.gz ALUZDWOGTNZGCS-UHFFFAOYSA-N 0 0 169.203 1.475 10 0 ADAERN Cc1cnc(C)n2c(C)nnc12 1571370 168903937 /nfs/dbraw/zinc/90/39/37/168903937.db2.gz JIPITZBXQAOBBA-UHFFFAOYSA-N 0 0 162.196 1.050 10 0 ADAERN Cc1cnc(N)c(C(C)C)n1 39103072 168905339 /nfs/dbraw/zinc/90/53/39/168905339.db2.gz HKLDTVQMRNSQKN-UHFFFAOYSA-N 0 0 151.213 1.491 10 0 ADAERN Cc1cnc(N2CCC[C@@H]2CO)s1 306240446 168905356 /nfs/dbraw/zinc/90/53/56/168905356.db2.gz ROCAIUGJDOIGDX-MRVPVSSYSA-N 0 0 198.291 1.413 10 0 ADAERN Cc1cnc(N)c(OC2CC2)c1 95724459 168905398 /nfs/dbraw/zinc/90/53/98/168905398.db2.gz AUFZATVBLDTWIT-UHFFFAOYSA-N 0 0 164.208 1.513 10 0 ADAERN Cc1cnc(N[C@H]2CC[C@@H]2C)nc1 307263118 168906322 /nfs/dbraw/zinc/90/63/22/168906322.db2.gz XZUSLVBSXVPXMT-IUCAKERBSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnc(N[C@H]2C[C@@](C)(O)C2)s1 334955861 168906495 /nfs/dbraw/zinc/90/64/95/168906495.db2.gz QPTVATVITBUHEL-OTSSQURYSA-N 0 0 198.291 1.777 10 0 ADAERN Cc1cnc(NCC2(C)COC2)s1 306295124 168906502 /nfs/dbraw/zinc/90/65/02/168906502.db2.gz YSVYRVYEOFPIIO-UHFFFAOYSA-N 0 0 198.291 1.900 10 0 ADAERN Cc1cnc(NCCF)s1 307082718 168906549 /nfs/dbraw/zinc/90/65/49/168906549.db2.gz JXTKJFWRYFFAMH-UHFFFAOYSA-N 0 0 160.217 1.833 10 0 ADAERN Cc1cnc(NCCF)nc1C 306492451 168906565 /nfs/dbraw/zinc/90/65/65/168906565.db2.gz POKJLWNATPBBOX-UHFFFAOYSA-N 0 0 169.203 1.475 10 0 ADAERN Cc1cnc([C@@H](O)C2CC2)s1 45206198 168907038 /nfs/dbraw/zinc/90/70/38/168907038.db2.gz SDRFYHTULDAEMZ-ZETCQYMHSA-N 0 0 169.249 1.895 10 0 ADAERN Cc1cnc(N[C@H]2C[C@H]2C)nc1C 307282463 168907047 /nfs/dbraw/zinc/90/70/47/168907047.db2.gz HKDUWIFANCFHHL-MUWHJKNJSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cnc(NC(=O)[C@@H]2CC23CC3)o1 335542524 168907063 /nfs/dbraw/zinc/90/70/63/168907063.db2.gz GRQHAWGOOWXUOA-ZETCQYMHSA-N 0 0 192.218 1.722 10 0 ADAERN Cc1cnc(NC(=O)[C@H]2CC23CC3)o1 335542523 168907080 /nfs/dbraw/zinc/90/70/80/168907080.db2.gz GRQHAWGOOWXUOA-SSDOTTSWSA-N 0 0 192.218 1.722 10 0 ADAERN Cc1cnc(N[C@H]2CC[C@H]2C)nc1 307263116 168907347 /nfs/dbraw/zinc/90/73/47/168907347.db2.gz XZUSLVBSXVPXMT-BDAKNGLRSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnc2c(n1)CC[C@H]2C 32175869 168907997 /nfs/dbraw/zinc/90/79/97/168907997.db2.gz CTFGVWCFSGCLHZ-ZCFIWIBFSA-N 0 0 148.209 1.835 10 0 endogenous,in-man ADAERN Cc1cnc2c(c1)C(=O)CCC2 4336195 168908590 /nfs/dbraw/zinc/90/85/90/168908590.db2.gz JPPNDGIYIIKFLF-UHFFFAOYSA-N 0 0 161.204 1.909 10 0 ADAERN Cc1cnc2c(c1)CC[C@H]2C(N)=S 169314367 168908700 /nfs/dbraw/zinc/90/87/00/168908700.db2.gz GIUVWZAMLXZHFI-MRVPVSSYSA-N 0 0 192.287 1.706 10 0 ADAERN Cc1cnc2c(n1)c(C=O)cn2C 82399194 168908912 /nfs/dbraw/zinc/90/89/12/168908912.db2.gz OKHBVUHGWTUZRF-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN Cc1cnc2cc(CO)ccn12 36274036 168909219 /nfs/dbraw/zinc/90/92/19/168909219.db2.gz UDTMLOSRAKXKON-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cc1cncc(C)c1NC=O 39050454 168910095 /nfs/dbraw/zinc/91/00/95/168910095.db2.gz KRNAPSXBXYAAEO-UHFFFAOYSA-N 0 0 150.181 1.267 10 0 ADAERN Cc1cncc(C(=O)N2CC(C)C2)c1 334473616 168910229 /nfs/dbraw/zinc/91/02/29/168910229.db2.gz JPJDJJSVKXAMHT-UHFFFAOYSA-N 0 0 190.246 1.482 10 0 ADAERN Cc1cnc2ocnc2c1 18551824 168910261 /nfs/dbraw/zinc/91/02/61/168910261.db2.gz SXYAWPIPFYJLPO-UHFFFAOYSA-N 0 0 134.138 1.531 10 0 ADAERN Cc1cnc2[nH]c(C)nc2c1 57765187 168910456 /nfs/dbraw/zinc/91/04/56/168910456.db2.gz LZSXKOQVSYULPZ-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN Cc1cncc(Cl)c1C=O 95763803 168910910 /nfs/dbraw/zinc/91/09/10/168910910.db2.gz MZCAYUIQXQUFLO-UHFFFAOYSA-N 0 0 155.584 1.856 10 0 ADAERN Cc1cnc2n(C)cccc1-2 100230396 168911137 /nfs/dbraw/zinc/91/11/37/168911137.db2.gz DAMLTCGIAAAEAP-UHFFFAOYSA-N 0 0 146.193 1.833 10 0 ADAERN Cc1cncc(N[C@H]2CC2(C)C)n1 306368417 168911407 /nfs/dbraw/zinc/91/14/07/168911407.db2.gz BQGOADLHLQYNDY-QMMMGPOBSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cncc(NCCF)n1 307230080 168911500 /nfs/dbraw/zinc/91/15/00/168911500.db2.gz BNOLLTDYCGIFFS-UHFFFAOYSA-N 0 0 155.176 1.166 10 0 ADAERN Cc1cncc(N[C@H]2CC[C@H]2C)n1 306294058 168911640 /nfs/dbraw/zinc/91/16/40/168911640.db2.gz VUPOTUGAUDSANA-APPZFPTMSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cncc2ccncc12 14592467 168912559 /nfs/dbraw/zinc/91/25/59/168912559.db2.gz LLWZYICPFDZZOG-UHFFFAOYSA-N 0 0 144.177 1.938 10 0 ADAERN Cc1cncc(NC[C@H]2C[C@@H]2C)n1 306358603 168912715 /nfs/dbraw/zinc/91/27/15/168912715.db2.gz KLMWQHZTJIAVEP-IONNQARKSA-N 0 0 177.251 1.853 10 0 ADAERN Cc1cncc(N[C@@H]2CC2(C)C)n1 306368416 168912834 /nfs/dbraw/zinc/91/28/34/168912834.db2.gz BQGOADLHLQYNDY-MRVPVSSYSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cncc(N2CC[C@H](C)C2)n1 306496673 168912842 /nfs/dbraw/zinc/91/28/42/168912842.db2.gz DZNJUCXPTJVXIH-QMMMGPOBSA-N 0 0 177.251 1.631 10 0 ADAERN CC(C)(C)NC(=O)NN1CCCCC1 135887403 343970365 /nfs/dbraw/zinc/97/03/65/343970365.db2.gz QYCVXGIVWMNKKY-UHFFFAOYSA-N 0 0 199.298 1.485 10 0 ADAERN Cc1cnccc1C(=O)N1CCCO1 307125963 168913077 /nfs/dbraw/zinc/91/30/77/168913077.db2.gz UKOMLNWRNQCRAA-UHFFFAOYSA-N 0 0 192.218 1.168 10 0 ADAERN Cc1cncnc1-c1ccncc1 169318169 168913457 /nfs/dbraw/zinc/91/34/57/168913457.db2.gz HTOLQBRDZREJQL-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN Cc1cnn(C(C)(C)C)c1 37676754 168913544 /nfs/dbraw/zinc/91/35/44/168913544.db2.gz OWVRXDVWWRDOEN-UHFFFAOYSA-N 0 0 138.214 1.947 10 0 ADAERN Cc1cnn(-c2ncc(N)s2)c1 72192558 168913640 /nfs/dbraw/zinc/91/36/40/168913640.db2.gz QDIBVLMTADACTO-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cnn(CC(=O)C(C)(C)C)c1 37677713 168913750 /nfs/dbraw/zinc/91/37/50/168913750.db2.gz FJNDKTPPQQWBEA-UHFFFAOYSA-N 0 0 180.251 1.807 10 0 ADAERN Cc1cnn(-c2cc(F)ccc2N)c1 52122202 168913781 /nfs/dbraw/zinc/91/37/81/168913781.db2.gz BCUJXGRXMZXZOQ-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1cnn(C)c1-c1ccccc1N 82879795 168914234 /nfs/dbraw/zinc/91/42/34/168914234.db2.gz REBCQLQKSZKCQW-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1cnn(-c2cccc(N)c2)c1 37676760 168914322 /nfs/dbraw/zinc/91/43/22/168914322.db2.gz YETAFCSMFALKPO-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN Cc1cnn(CC(=O)c2ccco2)c1 37677671 168914653 /nfs/dbraw/zinc/91/46/53/168914653.db2.gz KRUFYKZPANELQS-UHFFFAOYSA-N 0 0 190.202 1.667 10 0 ADAERN Cc1cnn(-c2ccc(N)cn2)c1 20353394 168915089 /nfs/dbraw/zinc/91/50/89/168915089.db2.gz RLFLFKDJBMRUAC-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cncnc1C(C)C 39052858 168915111 /nfs/dbraw/zinc/91/51/11/168915111.db2.gz VKHXJMJPULPRFG-UHFFFAOYSA-N 0 0 136.198 1.908 10 0 ADAERN Cc1cnn(CCCCCO)c1 51020249 168915296 /nfs/dbraw/zinc/91/52/96/168915296.db2.gz GCWKWFBNPIKRJK-UHFFFAOYSA-N 0 0 168.240 1.354 10 0 ADAERN Cc1cnn([C@@H](C)c2ccco2)c1N 20578821 168915313 /nfs/dbraw/zinc/91/53/13/168915313.db2.gz RKHGKTAPFZNIGZ-QMMMGPOBSA-N 0 0 191.234 1.976 10 0 ADAERN Cc1cnn(Cc2cccs2)c1N 26516502 168915664 /nfs/dbraw/zinc/91/56/64/168915664.db2.gz AQBATIQZVFUTPZ-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN Cc1cnn(CCCC[C@H](C)O)c1 45621120 168915706 /nfs/dbraw/zinc/91/57/06/168915706.db2.gz HZYIVCYDTFDBNV-JTQLQIEISA-N 0 0 182.267 1.743 10 0 ADAERN Cc1cnn([C@@H]2CCCSC2)c1N 61589754 168915768 /nfs/dbraw/zinc/91/57/68/168915768.db2.gz DYGBRGAXMPEFJB-MRVPVSSYSA-N 0 0 197.307 1.842 10 0 ADAERN Cc1cnn(Cc2cccc(N)c2)c1 37676902 168915887 /nfs/dbraw/zinc/91/58/87/168915887.db2.gz FAUPWXFPFRGAIX-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN Cc1cnn([C@@H]2C[C@H](C)CC[C@@H]2O)c1 44186658 168915940 /nfs/dbraw/zinc/91/59/40/168915940.db2.gz SJGSNOVMDMNHNW-IEBDPFPHSA-N 0 0 194.278 1.914 10 0 ADAERN Cc1cnn([C@@H]2CCSC2)c1N 20579086 168916015 /nfs/dbraw/zinc/91/60/15/168916015.db2.gz DOEBERAVGNCMSA-SSDOTTSWSA-N 0 0 183.280 1.452 10 0 ADAERN Cc1cnn([C@@H](C)C(N)=S)c1 43514845 168916026 /nfs/dbraw/zinc/91/60/26/168916026.db2.gz BZRBFFHRERGJMV-LURJTMIESA-N 0 0 169.253 1.039 10 0 ADAERN Cc1cnn([C@@H](C)C(C)C)c1N 26515711 168916161 /nfs/dbraw/zinc/91/61/61/168916161.db2.gz FOIMFQNLSPQCAO-QMMMGPOBSA-N 0 0 167.256 1.991 10 0 ADAERN Cc1cnn(Cc2ccco2)c1N 26515951 168916274 /nfs/dbraw/zinc/91/62/74/168916274.db2.gz KEJDOBHQZHIKMM-UHFFFAOYSA-N 0 0 177.207 1.415 10 0 ADAERN Cc1cnn(CCC[C@H](C)O)c1 45621127 168916378 /nfs/dbraw/zinc/91/63/78/168916378.db2.gz DSISXSJIOPCNGU-VIFPVBQESA-N 0 0 168.240 1.353 10 0 ADAERN Cc1cnn([C@@H](C)CC(N)=S)c1 48248989 168916830 /nfs/dbraw/zinc/91/68/30/168916830.db2.gz GIICEIMQXAQXKN-ZETCQYMHSA-N 0 0 183.280 1.429 10 0 ADAERN Cc1coc(N[C@@H]2CCOC2)n1 76596461 168917362 /nfs/dbraw/zinc/91/73/62/168917362.db2.gz DCRVAEOQZFABON-SSDOTTSWSA-N 0 0 168.196 1.184 10 0 ADAERN Cc1coc(N(C)C(=O)C(C)C)n1 39246360 168917495 /nfs/dbraw/zinc/91/74/95/168917495.db2.gz ICRWBBQXMVAKAK-UHFFFAOYSA-N 0 0 182.223 1.602 10 0 ADAERN Cc1coc(NC2CCC2)n1 76589385 168917818 /nfs/dbraw/zinc/91/78/18/168917818.db2.gz LWPCDDJOUSDAAC-UHFFFAOYSA-N 0 0 152.197 1.947 10 0 ADAERN Cc1cnnn1-c1ccc(O)cc1 39375259 168917944 /nfs/dbraw/zinc/91/79/44/168917944.db2.gz XDILZSDEOACNKR-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN Cc1csc(-n2nc(C)cc2N)n1 40176484 168918599 /nfs/dbraw/zinc/91/85/99/168918599.db2.gz NVSCVNCQZPWZOX-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN Cc1coc([C@H](O)C(C)C)n1 75853884 168918757 /nfs/dbraw/zinc/91/87/57/168918757.db2.gz JDHKVSYIZANENX-SSDOTTSWSA-N 0 0 155.197 1.672 10 0 ADAERN Cc1csc(-n2cc(N)cn2)n1 3628610 168918931 /nfs/dbraw/zinc/91/89/31/168918931.db2.gz ZRYYXEKRSAKUOO-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1coc2c1C(=O)NCCC2 206516878 168918952 /nfs/dbraw/zinc/91/89/52/168918952.db2.gz PGWQSHRNRDXZHF-UHFFFAOYSA-N 0 0 165.192 1.264 10 0 ADAERN Cc1csc(=O)n1CCC1(O)CC1 307659941 168919131 /nfs/dbraw/zinc/91/91/31/168919131.db2.gz BYMJLCQPBXPCIL-UHFFFAOYSA-N 0 0 199.275 1.133 10 0 ADAERN Cc1cocc1C=O 75517874 168919273 /nfs/dbraw/zinc/91/92/73/168919273.db2.gz XVLTWSMCDADDAL-UHFFFAOYSA-N 0 0 110.112 1.401 10 0 ADAERN Cc1csc(-n2ccc(N)n2)n1 40516767 168919450 /nfs/dbraw/zinc/91/94/50/168919450.db2.gz BOHJRFODIZPXJN-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1csc(=O)n1CC(=O)C1CC1 68899431 168919459 /nfs/dbraw/zinc/91/94/59/168919459.db2.gz IQJGKHDQZRAWAN-UHFFFAOYSA-N 0 0 197.259 1.197 10 0 ADAERN Cc1csc(-c2c(N)n[nH]c2N)n1 68755740 168919701 /nfs/dbraw/zinc/91/97/01/168919701.db2.gz IUHJMAOBNRZUEB-UHFFFAOYSA-N 0 0 195.251 1.006 10 0 ADAERN Cc1csc(C(=O)N2CCCO2)c1 307206904 168919872 /nfs/dbraw/zinc/91/98/72/168919872.db2.gz LZERQMXUWDZPHQ-UHFFFAOYSA-N 0 0 197.259 1.834 10 0 ADAERN Cc1coc2ccc(N)cc2c1=O 75565107 168919985 /nfs/dbraw/zinc/91/99/85/168919985.db2.gz YCVNYAFIUBWNPT-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN Cc1csc(NCc2nc[nH]n2)n1 37920114 168920391 /nfs/dbraw/zinc/92/03/91/168920391.db2.gz FRRHASMOLCJPMD-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN Cc1csc(NC[C@H]2CCOC2)n1 38094762 168920417 /nfs/dbraw/zinc/92/04/17/168920417.db2.gz RDKLXQUEGFUPSW-MRVPVSSYSA-N 0 0 198.291 1.900 10 0 ADAERN Cc1csc(N(C)C[C@@H](C)O)n1 51821215 168920666 /nfs/dbraw/zinc/92/06/66/168920666.db2.gz CIMXAFUJTDDKGV-SSDOTTSWSA-N 0 0 186.280 1.269 10 0 ADAERN Cc1csc(N2CCC(=O)C2)n1 76606898 168920738 /nfs/dbraw/zinc/92/07/38/168920738.db2.gz FHLWHCKRNDSWGM-UHFFFAOYSA-N 0 0 182.248 1.231 10 0 ADAERN Cc1csc(CCCO)n1 39134861 168920744 /nfs/dbraw/zinc/92/07/44/168920744.db2.gz BAAGDLAPXSHNJF-UHFFFAOYSA-N 0 0 157.238 1.376 10 0 ADAERN Cc1csc(NCc2cn[nH]c2)n1 38006606 168920955 /nfs/dbraw/zinc/92/09/55/168920955.db2.gz QPTRGSDRMRHKHE-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN Cc1csc(N)c1C(=O)N(C)C 104278147 168921186 /nfs/dbraw/zinc/92/11/86/168921186.db2.gz QNTRSGVUWZKSBS-UHFFFAOYSA-N 0 0 184.264 1.341 10 0 ADAERN Cc1csc(CCNN(C)C)n1 40177406 168921202 /nfs/dbraw/zinc/92/12/02/168921202.db2.gz ZPRFQEQIXADXKG-UHFFFAOYSA-N 0 0 185.296 1.060 10 0 ADAERN Cc1csc(N2CCO[C@@H](C)C2)n1 306598907 168921226 /nfs/dbraw/zinc/92/12/26/168921226.db2.gz GTUXGGWWGIBZFK-QMMMGPOBSA-N 0 0 198.291 1.677 10 0 ADAERN Cc1csc(C[C@@H]([NH3+])C(=O)[O-])c1 82392732 168921661 /nfs/dbraw/zinc/92/16/61/168921661.db2.gz IKWBDULRZCNJJF-SSDOTTSWSA-N 0 0 185.248 1.011 10 0 ADAERN Cc1csc(N2CCC[C@@H]2CO)n1 42434697 168921727 /nfs/dbraw/zinc/92/17/27/168921727.db2.gz HTCLKNIIDKLBNT-MRVPVSSYSA-N 0 0 198.291 1.413 10 0 ADAERN Cc1nc(-c2ccc(F)c(N)c2)n[nH]1 48630606 168922605 /nfs/dbraw/zinc/92/26/05/168922605.db2.gz ZLVILZHGCKRHTF-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN Cc1cscc1C(N)=O 39063982 168922794 /nfs/dbraw/zinc/92/27/94/168922794.db2.gz BMGPRFQPACSOQX-UHFFFAOYSA-N 0 0 141.195 1.155 10 0 ADAERN Cc1csc([C@@]2(C)CO2)n1 34588759 168922868 /nfs/dbraw/zinc/92/28/68/168922868.db2.gz IKZJZXUAETZCQW-SSDOTTSWSA-N 0 0 155.222 1.697 10 0 ADAERN Cc1nc(-c2ccc(F)cc2N)n[nH]1 48630546 168923060 /nfs/dbraw/zinc/92/30/60/168923060.db2.gz FONRCCFSOCQQPZ-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN Cc1csc2nc(CO)cn12 36255206 168923095 /nfs/dbraw/zinc/92/30/95/168923095.db2.gz CTGIMFUPVPDASG-UHFFFAOYSA-N 0 0 168.221 1.197 10 0 ADAERN Cc1nc(-c2ccc(N)c(O)c2)n[nH]1 48630608 168923300 /nfs/dbraw/zinc/92/33/00/168923300.db2.gz LGDOCJFVTUFALB-UHFFFAOYSA-N 0 0 190.206 1.068 10 0 ADAERN Cc1csc2ncncc12 108282042 168923359 /nfs/dbraw/zinc/92/33/59/168923359.db2.gz GJVFCZRRXPIYNY-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN Cc1[nH]nc(-c2ccccc2O)c1N 75579104 168923426 /nfs/dbraw/zinc/92/34/26/168923426.db2.gz JHAAJJDPKVVXPY-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN Cc1n[nH]c(C)c1CNc1cn[nH]c1 36864858 168923871 /nfs/dbraw/zinc/92/38/71/168923871.db2.gz MCXJZNNGTKHYFW-UHFFFAOYSA-N 0 0 191.238 1.362 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)NCC1CC1 36165038 168924019 /nfs/dbraw/zinc/92/40/19/168924019.db2.gz LZQSVFBQGYHHEL-UHFFFAOYSA-N 0 0 193.250 1.166 10 0 ADAERN Cc1n[nH]c(C)c1CN1CC(F)C1 307687062 168924251 /nfs/dbraw/zinc/92/42/51/168924251.db2.gz DHSOCQVVLTWWQG-UHFFFAOYSA-N 0 0 183.230 1.180 10 0 ADAERN Cc1n[nH]c(C)c1NC[C@H]1CCOC1 36734802 168924303 /nfs/dbraw/zinc/92/43/03/168924303.db2.gz AESBSROXRIJBRL-SECBINFHSA-N 0 0 195.266 1.475 10 0 ADAERN Cc1n[nH]c(C)c1NC(C)C 36736015 168924719 /nfs/dbraw/zinc/92/47/19/168924719.db2.gz KTBZPUXWYOZMMP-UHFFFAOYSA-N 0 0 153.229 1.847 10 0 ADAERN Cc1n[nH]c(C)c1NC1CCC1 44480669 168924850 /nfs/dbraw/zinc/92/48/50/168924850.db2.gz ATFVNSKDMXLWRI-UHFFFAOYSA-N 0 0 165.240 1.991 10 0 ADAERN Cc1[nH]nc2c(NC(C)C)ncnc12 41527955 168925161 /nfs/dbraw/zinc/92/51/61/168925161.db2.gz ROWZITMDEMPEML-UHFFFAOYSA-N 0 0 191.238 1.482 10 0 ADAERN Cc1n[nH]c(C)c1N[C@H]1CCSC1 36736171 168925782 /nfs/dbraw/zinc/92/57/82/168925782.db2.gz CNWITAYDGKFKQJ-QMMMGPOBSA-N 0 0 197.307 1.944 10 0 ADAERN Cc1n[nH]c(C)c1N[C@@H]1CCOC1 70965574 168926695 /nfs/dbraw/zinc/92/66/95/168926695.db2.gz DINISPLONKSOIW-MRVPVSSYSA-N 0 0 181.239 1.227 10 0 ADAERN Cc1n[nH]c2cc(F)c(C=O)cc12 82397981 168926721 /nfs/dbraw/zinc/92/67/21/168926721.db2.gz JQLBKVNZEWBGLR-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN Cc1n[nH]c(C)c1N[C@H]1CCOC1 70965576 168926972 /nfs/dbraw/zinc/92/69/72/168926972.db2.gz DINISPLONKSOIW-QMMMGPOBSA-N 0 0 181.239 1.227 10 0 ADAERN Cc1n[nH]cc1C(=O)N1C[C@H](C)[C@H]1C 334182692 168927868 /nfs/dbraw/zinc/92/78/68/168927868.db2.gz BCCSIGCQBSPZHR-POYBYMJQSA-N 0 0 193.250 1.199 10 0 ADAERN Cc1[nH]nc2ccnc(F)c12 95935609 168928318 /nfs/dbraw/zinc/92/83/18/168928318.db2.gz HZPKTHYSJMLILQ-UHFFFAOYSA-N 0 0 151.144 1.405 10 0 ADAERN Cc1n[nH]cc1C(=O)N1[C@H](C)C[C@H]1C 335835858 168928483 /nfs/dbraw/zinc/92/84/83/168928483.db2.gz FNORHABGJUNMNI-RNFRBKRXSA-N 0 0 193.250 1.341 10 0 ADAERN Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@@H]1C 334182699 168928847 /nfs/dbraw/zinc/92/88/47/168928847.db2.gz BCCSIGCQBSPZHR-SVRRBLITSA-N 0 0 193.250 1.199 10 0 ADAERN Cc1[nH]nc2sc(C(N)=O)cc12 28565047 168929298 /nfs/dbraw/zinc/92/92/98/168929298.db2.gz MELHJKUYOBXOER-UHFFFAOYSA-N 0 0 181.220 1.032 10 0 in-vivo ADAERN Cc1nc(-c2ccccc2N)nn1C 82530155 168929857 /nfs/dbraw/zinc/92/98/57/168929857.db2.gz AFLGOPRGAVKUPQ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nc(Br)ncc1F 299889761 168929881 /nfs/dbraw/zinc/92/98/81/168929881.db2.gz OIRINHSLFLOGNG-UHFFFAOYSA-N 0 0 191.003 1.687 10 0 ADAERN C[C@@H]([NH3+])[C@@H]1CCCC[C@@H]1C(=O)[O-] 83591379 168365605 /nfs/dbraw/zinc/36/56/05/168365605.db2.gz QYWOBVCKBKZINH-CSMHCCOUSA-N 0 0 171.240 1.225 10 0 ADAERN Cc1nc(C)c(CNC(=O)C2CC2)o1 74792000 168933893 /nfs/dbraw/zinc/93/38/93/168933893.db2.gz QOUUQSFDDVXBPX-UHFFFAOYSA-N 0 0 194.234 1.318 10 0 ADAERN Cc1nc(C)c(N)c(C2CC2)n1 82319988 168933946 /nfs/dbraw/zinc/93/39/46/168933946.db2.gz KHIINWSGTCXVNF-UHFFFAOYSA-N 0 0 163.224 1.553 10 0 ADAERN Cc1nc(C(N)=O)c2ccccc2n1 38534726 168933978 /nfs/dbraw/zinc/93/39/78/168933978.db2.gz NZQVJIFWJATCIT-UHFFFAOYSA-N 0 0 187.202 1.037 10 0 ADAERN Cc1nc(C)c(CNC(=O)C(C)C)o1 74791997 168934135 /nfs/dbraw/zinc/93/41/35/168934135.db2.gz BGNJDCKNUAZHIV-UHFFFAOYSA-N 0 0 196.250 1.564 10 0 ADAERN Cc1nc(C(N)=O)ccc1OC1CC1 95736850 168934248 /nfs/dbraw/zinc/93/42/48/168934248.db2.gz PQTJVHFXNXXTQT-UHFFFAOYSA-N 0 0 192.218 1.030 10 0 ADAERN Cc1nc(C)c(-c2cc(N)on2)s1 8474 168934271 /nfs/dbraw/zinc/93/42/71/168934271.db2.gz WRACLIXZZWEUHW-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1nc(C(F)(F)F)nc(C)c1N 82389831 168934680 /nfs/dbraw/zinc/93/46/80/168934680.db2.gz DULLPLYEALOGLL-UHFFFAOYSA-N 0 0 191.156 1.694 10 0 ADAERN Cc1nc(C)c([C@@H](C)NC(N)=O)s1 42350410 168935262 /nfs/dbraw/zinc/93/52/62/168935262.db2.gz BXXFPZQQSKBNSX-RXMQYKEDSA-N 0 0 199.279 1.489 10 0 ADAERN Cc1nc(C)c([C@H](C)NC(N)=O)s1 42350411 168935354 /nfs/dbraw/zinc/93/53/54/168935354.db2.gz BXXFPZQQSKBNSX-YFKPBYRVSA-N 0 0 199.279 1.489 10 0 ADAERN CC1=NC(C)C(=O)S1 39134830 168935484 /nfs/dbraw/zinc/93/54/84/168935484.db2.gz ADZLQPZQXPUWFN-UHFFFAOYSA-N 0 0 129.184 1.466 10 0 ADAERN Cc1nc(C)n(CCCC[C@H](C)O)n1 45621221 168935504 /nfs/dbraw/zinc/93/55/04/168935504.db2.gz GXVVKUDTNFRMGU-QMMMGPOBSA-N 0 0 197.282 1.446 10 0 ADAERN Cc1nc(C)n([C@@H]2CCCC[C@H]2O)n1 42290454 168935539 /nfs/dbraw/zinc/93/55/39/168935539.db2.gz FRTUBLPZSIXHJI-NXEZZACHSA-N 0 0 195.266 1.371 10 0 ADAERN Cc1nc(C)n(C[C@H](O)C(C)(C)C)n1 44188942 168936123 /nfs/dbraw/zinc/93/61/23/168936123.db2.gz KKNWMDWCZKIFAL-VIFPVBQESA-N 0 0 197.282 1.302 10 0 ADAERN Cc1nc(C=O)n2c(C)csc12 82396488 168937230 /nfs/dbraw/zinc/93/72/30/168937230.db2.gz BZUGNHACCRAQJC-UHFFFAOYSA-N 0 0 180.232 1.825 10 0 ADAERN Cc1nc(CC(C)C)nc(C)c1N 77268024 168937243 /nfs/dbraw/zinc/93/72/43/168937243.db2.gz OYSWESAKRRDTAX-UHFFFAOYSA-N 0 0 179.267 1.874 10 0 ADAERN Cc1nc(CC(F)(F)F)no1 307751594 168937275 /nfs/dbraw/zinc/93/72/75/168937275.db2.gz OOPZTBLYLOAEKY-UHFFFAOYSA-N 0 0 166.102 1.483 10 0 ADAERN Cc1nc(C=O)n2ccsc12 82403035 168937277 /nfs/dbraw/zinc/93/72/77/168937277.db2.gz NVXBXKAFHPQZJU-UHFFFAOYSA-N 0 0 166.205 1.517 10 0 ADAERN Cc1nc(C2CCOCC2)c(N)s1 52177052 168937310 /nfs/dbraw/zinc/93/73/10/168937310.db2.gz QAFQXBNAEYPPLU-UHFFFAOYSA-N 0 0 198.291 1.928 10 0 ADAERN Cc1nc(C2CC2)nc(C)c1N 77261483 168938003 /nfs/dbraw/zinc/93/80/03/168938003.db2.gz JLNODVLQVUMKLQ-UHFFFAOYSA-N 0 0 163.224 1.553 10 0 ADAERN Cc1nc(C2CC2)c(N)s1 50308165 168938092 /nfs/dbraw/zinc/93/80/92/168938092.db2.gz MQHWILJFGVNFER-UHFFFAOYSA-N 0 0 154.238 1.911 10 0 ADAERN Cc1nc(C2CC2)sc1C(N)=S 82420527 168938119 /nfs/dbraw/zinc/93/81/19/168938119.db2.gz MBUGDIUUWDWRCS-UHFFFAOYSA-N 0 0 198.316 1.963 10 0 ADAERN Cc1nc(C=O)cc(C(F)(F)F)n1 95642167 168938130 /nfs/dbraw/zinc/93/81/30/168938130.db2.gz KHXQPLHTSDCRNW-UHFFFAOYSA-N 0 0 190.124 1.616 10 0 ADAERN Cc1nc(CCCO)oc1C 19726776 168938977 /nfs/dbraw/zinc/93/89/77/168938977.db2.gz DLNPFWMJUNUFJU-UHFFFAOYSA-N 0 0 155.197 1.216 10 0 ADAERN Cc1nc(CCn2cccn2)cs1 306236926 168939198 /nfs/dbraw/zinc/93/91/98/168939198.db2.gz OCNZIBBGPQCEIT-UHFFFAOYSA-N 0 0 193.275 1.891 10 0 ADAERN Cc1nc(CCn2cncn2)cs1 306253917 168940083 /nfs/dbraw/zinc/94/00/83/168940083.db2.gz WAIQQDAWEDWWQD-UHFFFAOYSA-N 0 0 194.263 1.286 10 0 ADAERN Cc1nc(COC2CCCC2)no1 307676906 168941755 /nfs/dbraw/zinc/94/17/55/168941755.db2.gz IFAIBOJCZQJADG-UHFFFAOYSA-N 0 0 182.223 1.837 10 0 ADAERN Cc1nc(CNC(=O)C(C)(C)C)no1 218893316 168941917 /nfs/dbraw/zinc/94/19/17/168941917.db2.gz JJQJVJLLPSZYMI-UHFFFAOYSA-N 0 0 197.238 1.040 10 0 ADAERN Cc1nc(CNC(C)(C)CO)oc1C 37909384 168942005 /nfs/dbraw/zinc/94/20/05/168942005.db2.gz ZMRKDCLUDQWMGV-UHFFFAOYSA-N 0 0 198.266 1.152 10 0 ADAERN Cc1nc(Cl)c2n[nH]c(C)c2n1 84236050 168943302 /nfs/dbraw/zinc/94/33/02/168943302.db2.gz GPOUQNLJPJXBKD-UHFFFAOYSA-N 0 0 182.614 1.623 10 0 ADAERN Cc1nc(Cl)c[nH]1 78215219 168943347 /nfs/dbraw/zinc/94/33/47/168943347.db2.gz FRIZRUSEKCIEIM-UHFFFAOYSA-N 0 0 116.551 1.372 10 0 ADAERN Cc1nc(Cl)c2nccnc2n1 26466214 168943662 /nfs/dbraw/zinc/94/36/62/168943662.db2.gz MEKGBHKTGXZUIR-UHFFFAOYSA-N 0 0 180.598 1.382 10 0 ADAERN Cc1nc(Cl)cnc1F 95774789 168943685 /nfs/dbraw/zinc/94/36/85/168943685.db2.gz BDQXOXPUPYGUDC-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN Cc1nc(Cl)oc1C=O 95762059 168943747 /nfs/dbraw/zinc/94/37/47/168943747.db2.gz CUHXOGGYMCTERJ-UHFFFAOYSA-N 0 0 145.545 1.449 10 0 ADAERN Cc1nc(F)cnc1Cl 95774791 168943889 /nfs/dbraw/zinc/94/38/89/168943889.db2.gz QJGBOGLDPSXOOJ-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN Cc1nc(Cl)c2cnccc2n1 107339819 168943942 /nfs/dbraw/zinc/94/39/42/168943942.db2.gz UCUWETUKFQSXKN-UHFFFAOYSA-N 0 0 179.610 1.987 10 0 ADAERN Cc1nc(Cl)cnc1N(C)C 299890318 168944138 /nfs/dbraw/zinc/94/41/38/168944138.db2.gz XPFBOFZRKOKWAR-UHFFFAOYSA-N 0 0 171.631 1.504 10 0 ADAERN Cc1nc(N)cc(OC(C)C)n1 34733042 168944526 /nfs/dbraw/zinc/94/45/26/168944526.db2.gz MZHWNFSPMIZXDB-UHFFFAOYSA-N 0 0 167.212 1.154 10 0 ADAERN Cc1nc(N)nc2c1C[C@H](C)CC2 62203523 168944646 /nfs/dbraw/zinc/94/46/46/168944646.db2.gz HEUFCBRJZKFOHB-ZCFIWIBFSA-N 0 0 177.251 1.492 10 0 ADAERN Cc1nc(N)n(CCC(C)C)n1 54404595 168944917 /nfs/dbraw/zinc/94/49/17/168944917.db2.gz BEOFYMJYVRJJSL-UHFFFAOYSA-N 0 0 168.244 1.215 10 0 ADAERN Cc1nc(N)c2cc(C)oc2n1 82404630 168944935 /nfs/dbraw/zinc/94/49/35/168944935.db2.gz ZNSDVZPJYZUZSH-UHFFFAOYSA-N 0 0 163.180 1.422 10 0 ADAERN Cc1nc(N)cc(=S)[nH]1 34256491 168944996 /nfs/dbraw/zinc/94/49/96/168944996.db2.gz SSTZZACDAJQUEP-UHFFFAOYSA-N 0 0 141.199 1.030 10 0 ADAERN Cc1nc(N)cc(-c2cc[nH]c2)n1 71496807 168945381 /nfs/dbraw/zinc/94/53/81/168945381.db2.gz WNHHNOGVFMFNGT-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1nc(N)cc(-c2cccnc2)n1 1736159 168945659 /nfs/dbraw/zinc/94/56/59/168945659.db2.gz LHGVTMUMGBOKEX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1nc(N)cc(-c2cncs2)n1 44119193 168945662 /nfs/dbraw/zinc/94/56/62/168945662.db2.gz ADGPDTOSXMHTHV-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1nc(N)ncc1-c1ccncc1 19809759 168945673 /nfs/dbraw/zinc/94/56/73/168945673.db2.gz RTSJEVLSUJRMPL-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1nc(NC(=O)C2CC2)cs1 306424239 168946969 /nfs/dbraw/zinc/94/69/69/168946969.db2.gz BSXVZWPPNUWLAF-UHFFFAOYSA-N 0 0 182.248 1.800 10 0 ADAERN Cc1nc(N)sc1[C@H](C)O 21952224 168947152 /nfs/dbraw/zinc/94/71/52/168947152.db2.gz ZCIFMUFWEXYHSO-BYPYZUCNSA-N 0 0 158.226 1.087 10 0 ADAERN Cc1nc(NCC2(C)CCC2)nn1C 307429422 168947261 /nfs/dbraw/zinc/94/72/61/168947261.db2.gz UJUVKKOUJIYRRG-UHFFFAOYSA-N 0 0 194.282 1.726 10 0 ADAERN Cc1nc(NC(=O)C(C)C)ccc1N 71742264 168947439 /nfs/dbraw/zinc/94/74/39/168947439.db2.gz VNINYWYULLLGIA-UHFFFAOYSA-N 0 0 193.250 1.567 10 0 ADAERN Cc1nc(NCC2(C)CCC2)n(C)n1 307633551 168947638 /nfs/dbraw/zinc/94/76/38/168947638.db2.gz RGTGSDQGDKFSHC-UHFFFAOYSA-N 0 0 194.282 1.726 10 0 ADAERN Cc1nc(N)sc1SCCO 19966603 168947942 /nfs/dbraw/zinc/94/79/42/168947942.db2.gz SCYCFNDPNJJFLG-UHFFFAOYSA-N 0 0 190.293 1.118 10 0 ADAERN Cc1nc([C@@H](N)c2ccsc2)no1 36762292 168948173 /nfs/dbraw/zinc/94/81/73/168948173.db2.gz OCAQZQGGQCJSBB-ZETCQYMHSA-N 0 0 195.247 1.488 10 0 ADAERN CC1=NC(=S)CN1C 100227726 168948432 /nfs/dbraw/zinc/94/84/32/168948432.db2.gz NZWCOTRJMXZJBO-UHFFFAOYSA-N 0 0 128.200 1.017 10 0 ADAERN Cc1nc([C@@H]2CC(=O)CCN2)oc1C 82387353 168948700 /nfs/dbraw/zinc/94/87/00/168948700.db2.gz CHYWBHUPAGIMDO-VIFPVBQESA-N 0 0 194.234 1.285 10 0 ADAERN Cc1nnc([C@@H](O)c2ccccc2)[nH]1 50305213 168948743 /nfs/dbraw/zinc/94/87/43/168948743.db2.gz LCUHTYWFSPHOLZ-VIFPVBQESA-N 0 0 189.218 1.195 10 0 ADAERN Cc1nc2oncc2c(=S)[nH]1 40541964 168949074 /nfs/dbraw/zinc/94/90/74/168949074.db2.gz KCXKHRDRUUHFKY-UHFFFAOYSA-N 0 0 167.193 1.215 10 0 ADAERN Cc1nc([C@@H](C)NC(N)=O)cs1 306816387 168949739 /nfs/dbraw/zinc/94/97/39/168949739.db2.gz BZFMJOYTYIYJCL-SCSAIBSYSA-N 0 0 185.252 1.181 10 0 ADAERN Cc1nc([C@H](C)N)oc1C 82410253 168950325 /nfs/dbraw/zinc/95/03/25/168950325.db2.gz IGLVMXLDRAHELY-BYPYZUCNSA-N 0 0 140.186 1.311 10 0 ADAERN Cc1nc([C@@H]2COCCN2)sc1C 82911406 168951458 /nfs/dbraw/zinc/95/14/58/168951458.db2.gz QRMBRNGNDPMFNX-QMMMGPOBSA-N 0 0 198.291 1.421 10 0 ADAERN Cc1nc([C@H](C)NC(N)=O)cs1 306816375 168951659 /nfs/dbraw/zinc/95/16/59/168951659.db2.gz BZFMJOYTYIYJCL-BYPYZUCNSA-N 0 0 185.252 1.181 10 0 ADAERN Cc1nnc([C@H](C)N2CCCC2)[nH]1 334804499 168951818 /nfs/dbraw/zinc/95/18/18/168951818.db2.gz BCHDIBFBFNYMIG-ZETCQYMHSA-N 0 0 180.255 1.270 10 0 ADAERN Cc1nc2c(C)cccn2c(=O)c1C 39209227 168952339 /nfs/dbraw/zinc/95/23/39/168952339.db2.gz JRKQYXQRIOQKLT-UHFFFAOYSA-N 0 0 188.230 1.620 10 0 ADAERN Cc1nc2c(F)ccc(F)c2c(=O)[nH]1 90400299 168952610 /nfs/dbraw/zinc/95/26/10/168952610.db2.gz OWYQUFPESYKSJB-UHFFFAOYSA-N 0 0 196.156 1.510 10 0 ADAERN Cc1nc2c(N)cccn2c1C=O 82399183 168952848 /nfs/dbraw/zinc/95/28/48/168952848.db2.gz UMCPUFWAETWATC-UHFFFAOYSA-N 0 0 175.191 1.037 10 0 ADAERN Cc1nc2c([n+]([O-])c1C)CC[C@@H]2C 39114134 168952971 /nfs/dbraw/zinc/95/29/71/168952971.db2.gz OJBZIHFTXVZPOT-LURJTMIESA-N 0 0 178.235 1.382 10 0 ADAERN Cc1nc2c[nH+][n-]c(S)c-2n1 13218890 168952998 /nfs/dbraw/zinc/95/29/98/168952998.db2.gz MPLBNIFDWSXPGU-UHFFFAOYSA-N 0 0 166.209 1.324 10 0 ADAERN Cc1nc2c(Cl)cccn2c1CO 82695571 168953017 /nfs/dbraw/zinc/95/30/17/168953017.db2.gz DZJHWYXZKGJHKU-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN Cc1nc2c(F)cccn2c1[C@H](C)O 82695483 168953116 /nfs/dbraw/zinc/95/31/16/168953116.db2.gz SFBSCZHOFSDUTI-ZETCQYMHSA-N 0 0 194.209 1.835 10 0 ADAERN Cc1nc2c(Cl)cccc2[nH]c1=O 118716658 168953126 /nfs/dbraw/zinc/95/31/26/168953126.db2.gz AGLQLIRDGGAXPX-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN Cc1nc2c([n+]([O-])c1C)CC[C@H]2C 39114133 168953396 /nfs/dbraw/zinc/95/33/96/168953396.db2.gz OJBZIHFTXVZPOT-ZCFIWIBFSA-N 0 0 178.235 1.382 10 0 ADAERN Cc1nc2c(Cl)nccn2c1N 299889819 168953695 /nfs/dbraw/zinc/95/36/95/168953695.db2.gz PEHYJHCNSKQCEV-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN Cc1nc2c(C=O)c(C)ccc2[nH]1 82399479 168953738 /nfs/dbraw/zinc/95/37/38/168953738.db2.gz PHNOTBMPEHWNGU-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN Cc1nc2nc(N)cc(Cl)c2[nH]1 82394711 168953777 /nfs/dbraw/zinc/95/37/77/168953777.db2.gz QTKLCILQQHEPIB-UHFFFAOYSA-N 0 0 182.614 1.502 10 0 ADAERN Cc1[nH+]c2c(c(C(=O)[O-])c1N)CCC2 82388891 168954297 /nfs/dbraw/zinc/95/42/97/168954297.db2.gz VZZRKNGTYYWZKW-UHFFFAOYSA-N 0 0 192.218 1.159 10 0 ADAERN Cc1nc2c(nc1CO)CC[C@@H]2C 39114132 168954624 /nfs/dbraw/zinc/95/46/24/168954624.db2.gz FNGONYYVRPMOPJ-LURJTMIESA-N 0 0 178.235 1.327 10 0 ADAERN Cc1nc2c(s1)CC(=O)CC2 82853090 168954637 /nfs/dbraw/zinc/95/46/37/168954637.db2.gz ZMUBQMOKGXKCGG-UHFFFAOYSA-N 0 0 167.233 1.509 10 0 ADAERN Cc1nc2c(c(C)c1O)COC(=O)N2 96273209 168954661 /nfs/dbraw/zinc/95/46/61/168954661.db2.gz UYNZLQZOVOYPQD-UHFFFAOYSA-N 0 0 194.190 1.466 10 0 ADAERN Cc1nc2c(s1)CC[C@@H](CO)C2 33606721 168954714 /nfs/dbraw/zinc/95/47/14/168954714.db2.gz VQVKKIYLIHOYPJ-SSDOTTSWSA-N 0 0 183.276 1.549 10 0 ADAERN Cc1nc2c(o1)CCC(=O)C2 95761634 168954938 /nfs/dbraw/zinc/95/49/38/168954938.db2.gz QCXTZKBXVUTYQN-UHFFFAOYSA-N 0 0 151.165 1.041 10 0 ADAERN Cc1nc2c(n1C)CC(C)(C)CC2=O 82388648 168955688 /nfs/dbraw/zinc/95/56/88/168955688.db2.gz FAQHPLIIRPXQGF-UHFFFAOYSA-N 0 0 192.262 1.884 10 0 ADAERN Cc1nc2ccc(C(N)=O)cc2o1 82587799 168956027 /nfs/dbraw/zinc/95/60/27/168956027.db2.gz PFLOBFVGNYAIBD-UHFFFAOYSA-N 0 0 176.175 1.235 10 0 ADAERN Cc1nc2cc(NN)ccc2s1 19089922 168956072 /nfs/dbraw/zinc/95/60/72/168956072.db2.gz QEBQZVMXTRYUSJ-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN Cc1nc2ccc(Cl)nn2c1C 143266885 168956237 /nfs/dbraw/zinc/95/62/37/168956237.db2.gz HLRWSGWOBOHHGY-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN Cc1nc2cc3c(cc2o1)OCCO3 62520845 168956348 /nfs/dbraw/zinc/95/63/48/168956348.db2.gz SKMDXOWNSFTZNZ-UHFFFAOYSA-N 0 0 191.186 1.907 10 0 ADAERN Cc1nc2cc(C=O)cnc2n1C 82399112 168956455 /nfs/dbraw/zinc/95/64/55/168956455.db2.gz REDXIIQSKDXASX-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN Cc1nc2cc(NC(N)=O)ccc2o1 82588434 168957011 /nfs/dbraw/zinc/95/70/11/168957011.db2.gz FDZIZKRHWUMAQH-UHFFFAOYSA-N 0 0 191.190 1.627 10 0 ADAERN Cc1nc2cc([C@@H](C)O)ccc2n1C 74370074 168957270 /nfs/dbraw/zinc/95/72/70/168957270.db2.gz ITPJDAXNSUMXCB-SSDOTTSWSA-N 0 0 190.246 1.935 10 0 ADAERN Cc1nc2cc3n[nH][nH]c3cc2n1 244413 168957274 /nfs/dbraw/zinc/95/72/74/168957274.db2.gz VIWANPJAQXVYKF-UHFFFAOYSA-N 0 0 173.179 1.143 10 0 ADAERN Cc1nc2ccccc2nc1[C@@H](C)O 96336628 168957740 /nfs/dbraw/zinc/95/77/40/168957740.db2.gz AOGWWPQTCFVNAE-MRVPVSSYSA-N 0 0 188.230 1.992 10 0 in-vitro ADAERN Cc1nc2ccccc2oc1=O 2036861 168957827 /nfs/dbraw/zinc/95/78/27/168957827.db2.gz PEEMVDRTQBESEN-UHFFFAOYSA-N 0 0 161.160 1.496 10 0 ADAERN Cc1nc2ccccc2nc1[C@H](C)O 96336630 168957835 /nfs/dbraw/zinc/95/78/35/168957835.db2.gz AOGWWPQTCFVNAE-QMMMGPOBSA-N 0 0 188.230 1.992 10 0 in-vitro ADAERN Cc1nc2ccc(N)c(N)c2nc1C 75578691 168957865 /nfs/dbraw/zinc/95/78/65/168957865.db2.gz SQVLOESUBNMSDI-UHFFFAOYSA-N 0 0 188.234 1.411 10 0 ADAERN Cc1nc2ccccc2c(CO)c1N 39251456 168957951 /nfs/dbraw/zinc/95/79/51/168957951.db2.gz PLFISNYSWJEHRV-UHFFFAOYSA-N 0 0 188.230 1.618 10 0 ADAERN Cc1nc2ccccn2c1[C@H](C)O 31913760 168958053 /nfs/dbraw/zinc/95/80/53/168958053.db2.gz BZPTZRIZQKFPBP-QMMMGPOBSA-N 0 0 176.219 1.696 10 0 ADAERN Cc1nc2ccccc2n1NC=O 95922625 168958205 /nfs/dbraw/zinc/95/82/05/168958205.db2.gz IAIMGPKUMRSVAS-UHFFFAOYSA-N 0 0 175.191 1.045 10 0 ADAERN Cc1nc2ccccc2n2nncc12 39115069 168958350 /nfs/dbraw/zinc/95/83/50/168958350.db2.gz KASJSXNKMGWWQG-UHFFFAOYSA-N 0 0 184.202 1.586 10 0 ADAERN Cc1nc2cccnc2[nH]c1=S 34441452 168958353 /nfs/dbraw/zinc/95/83/53/168958353.db2.gz CEQIQPGYHXGGQT-UHFFFAOYSA-N 0 0 177.232 1.622 10 0 ADAERN Cc1nc2n(n1)CCC[C@@H]2C 82750368 168959505 /nfs/dbraw/zinc/95/95/05/168959505.db2.gz FTCWTBJKISZOTH-LURJTMIESA-N 0 0 151.213 1.484 10 0 ADAERN Cc1nc2n(n1)CC[C@@H](C)C2 82750441 168959512 /nfs/dbraw/zinc/95/95/12/168959512.db2.gz APDZOJRVABBHSQ-ZCFIWIBFSA-N 0 0 151.213 1.169 10 0 ADAERN Cc1nc2cnc(N)cc2n1C1CC1 83253621 168959543 /nfs/dbraw/zinc/95/95/43/168959543.db2.gz XQOSGBPTBJXVTA-UHFFFAOYSA-N 0 0 188.234 1.657 10 0 ADAERN Cc1nc2n(n1)C[C@@H](C)CC2 82750513 168959703 /nfs/dbraw/zinc/95/97/03/168959703.db2.gz YVGUGXZFVOIRJM-LURJTMIESA-N 0 0 151.213 1.169 10 0 ADAERN Cc1nc2ncccc2s1 32299711 168959819 /nfs/dbraw/zinc/95/98/19/168959819.db2.gz CGSWTRTYXLGAFI-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN CC1N=C2CCCCCN2C1=O 107996 168959905 /nfs/dbraw/zinc/95/99/05/168959905.db2.gz ONLCGBIHXIHJOO-UHFFFAOYSA-N 0 0 166.224 1.624 10 0 ADAERN Cc1nc2ncncc2cc1C=O 82399790 168959914 /nfs/dbraw/zinc/95/99/14/168959914.db2.gz FGZKMICJUOANIR-UHFFFAOYSA-N 0 0 173.175 1.146 10 0 ADAERN Cc1nc2[nH]c(CO)nc2cc1Cl 71257626 168960032 /nfs/dbraw/zinc/96/00/32/168960032.db2.gz GKTVWMBUJPQCSQ-UHFFFAOYSA-N 0 0 197.625 1.412 10 0 ADAERN Cc1nc2nccc(Cl)n2c1C=O 82386149 168960108 /nfs/dbraw/zinc/96/01/08/168960108.db2.gz KDQSDSJHPJHEKP-UHFFFAOYSA-N 0 0 195.609 1.504 10 0 ADAERN Cc1nc2cncc(N)c2o1 88189529 168960222 /nfs/dbraw/zinc/96/02/22/168960222.db2.gz OFQXURHXZYLGAL-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN Cc1nc2nc3ccccc3nc2[nH]1 25503232 168960318 /nfs/dbraw/zinc/96/03/18/168960318.db2.gz ZAEDWRLGLPNQPQ-UHFFFAOYSA-N 0 0 184.202 1.815 10 0 ADAERN Cc1nc2nccnc2c(C)c1N 26460202 168960595 /nfs/dbraw/zinc/96/05/95/168960595.db2.gz JBYILGVDBLYDIA-UHFFFAOYSA-N 0 0 174.207 1.224 10 0 ADAERN Cc1nc2n(n1)CCC[C@H]2C 82750369 168960969 /nfs/dbraw/zinc/96/09/69/168960969.db2.gz FTCWTBJKISZOTH-ZCFIWIBFSA-N 0 0 151.213 1.484 10 0 ADAERN Cc1nc2nccn2cc1F 39080264 168960995 /nfs/dbraw/zinc/96/09/95/168960995.db2.gz KXNQLUOAYKLQPE-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN Cc1ncc(C(=O)N[C@@H]2CC2(C)C)[nH]1 334352720 168961183 /nfs/dbraw/zinc/96/11/83/168961183.db2.gz HLRVYPUXLYCCBB-MRVPVSSYSA-N 0 0 193.250 1.246 10 0 ADAERN Cc1ncc(Br)nc1N 95774809 168961200 /nfs/dbraw/zinc/96/12/00/168961200.db2.gz WEKRHARXOYRMDQ-UHFFFAOYSA-N 0 0 188.028 1.130 10 0 ADAERN Cc1ncc(-c2ccncc2)cn1 39121259 168961500 /nfs/dbraw/zinc/96/15/00/168961500.db2.gz OVSDQXNFPJEJNU-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN Cc1ncc(C(C)C)cn1 39053023 168961816 /nfs/dbraw/zinc/96/18/16/168961816.db2.gz VMNAOJIRTPMBEI-UHFFFAOYSA-N 0 0 136.198 1.908 10 0 ADAERN Cc1ncc(-c2ccc(N)cn2)cn1 82392320 168961825 /nfs/dbraw/zinc/96/18/25/168961825.db2.gz KADIOUDWPAYNPM-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1nc2sccn2c1CNO 82875938 168961869 /nfs/dbraw/zinc/96/18/69/168961869.db2.gz KXXZWUUBWVNJKM-UHFFFAOYSA-N 0 0 183.236 1.183 10 0 ADAERN Cc1ncc(-c2nccs2)c(N)n1 62329575 168961966 /nfs/dbraw/zinc/96/19/66/168961966.db2.gz PLFYVTVRTCILJN-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ncc(=S)[nH]c1C 59050272 168962312 /nfs/dbraw/zinc/96/23/12/168962312.db2.gz JBZDKKNQNXRADS-UHFFFAOYSA-N 0 0 140.211 1.756 10 0 ADAERN Cc1nc2sc(C)c(C)n2c1N 36290166 168962400 /nfs/dbraw/zinc/96/24/00/168962400.db2.gz JBUPANMGVAXSRL-UHFFFAOYSA-N 0 0 181.264 1.903 10 0 ADAERN Cc1ncc(C(=O)N2CC(C)C2)s1 306282906 168962407 /nfs/dbraw/zinc/96/24/07/168962407.db2.gz ILYLITRGMUSNBW-UHFFFAOYSA-N 0 0 196.275 1.543 10 0 ADAERN Cc1ncc(-c2csc(N)n2)cn1 72204648 168962510 /nfs/dbraw/zinc/96/25/10/168962510.db2.gz RWPGWPWGLNEUGJ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ncc(C=O)c(Cl)n1 78061401 168963429 /nfs/dbraw/zinc/96/34/29/168963429.db2.gz JRFCTRWWFYVARW-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN Cc1ncc(CN2CCC(=O)C2)s1 49533857 168963697 /nfs/dbraw/zinc/96/36/97/168963697.db2.gz VCCQGCKPQQHYDF-UHFFFAOYSA-N 0 0 196.275 1.226 10 0 ADAERN Cc1ncc(C=O)c(C(C)C)n1 76594795 168964846 /nfs/dbraw/zinc/96/48/46/168964846.db2.gz OHTDXZGRHLAJDB-UHFFFAOYSA-N 0 0 164.208 1.721 10 0 ADAERN Cc1ncc(OC2CC2)cc1C(N)=O 95736661 168965023 /nfs/dbraw/zinc/96/50/23/168965023.db2.gz QFWSTSBZNXIQFQ-UHFFFAOYSA-N 0 0 192.218 1.030 10 0 ADAERN Cc1ncc(N)c(C(C)C)n1 82319984 168965758 /nfs/dbraw/zinc/96/57/58/168965758.db2.gz ATBLZQCQIWUGOS-UHFFFAOYSA-N 0 0 151.213 1.491 10 0 ADAERN Cc1ncc(NC(C)C)cn1 76589233 168965795 /nfs/dbraw/zinc/96/57/95/168965795.db2.gz KQLMUTUFUKCDAZ-UHFFFAOYSA-N 0 0 151.213 1.605 10 0 ADAERN Cc1ncc(Cl)c(C=O)n1 82406153 168965851 /nfs/dbraw/zinc/96/58/51/168965851.db2.gz BFBVYZQAQUVJPU-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN Cc1ncc(OC2CC2)cc1N(C)C 95727539 168965868 /nfs/dbraw/zinc/96/58/68/168965868.db2.gz JNHRKDRGIIWTPI-UHFFFAOYSA-N 0 0 192.262 1.997 10 0 ADAERN Cc1nc(N2CCCCC2)c[nH]1 39133031 168966026 /nfs/dbraw/zinc/96/60/26/168966026.db2.gz QUKWWZRINNLYQG-UHFFFAOYSA-N 0 0 165.240 1.708 10 0 ADAERN Cc1ncc(N[C@@H]2CCCOC2)cn1 76635829 168966079 /nfs/dbraw/zinc/96/60/79/168966079.db2.gz QLQMLSCEFSEALT-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN Cc1ncc(OC2CC2)cc1N 95722441 168966933 /nfs/dbraw/zinc/96/69/33/168966933.db2.gz NNNDYERGUAQTPD-UHFFFAOYSA-N 0 0 164.208 1.513 10 0 ADAERN Cc1ncc2c(n1)C(=O)c1ccccc1-2 14970117 168967253 /nfs/dbraw/zinc/96/72/53/168967253.db2.gz QMXCHNWJZQMLGG-UHFFFAOYSA-N 0 0 196.209 1.996 10 0 in-vivo ADAERN Cc1ncc2c(n1)[C@@H](C)OC2 39053315 168967562 /nfs/dbraw/zinc/96/75/62/168967562.db2.gz NFFYLZWKFLCOPG-RXMQYKEDSA-N 0 0 150.181 1.376 10 0 ADAERN Cc1ncc2c(n1)CCC2 6072176 168967762 /nfs/dbraw/zinc/96/77/62/168967762.db2.gz OGRHLWFQNOLTFY-UHFFFAOYSA-N 0 0 134.182 1.274 10 0 ADAERN Cc1ncc2c(N)ccc(F)c2n1 90411389 168968538 /nfs/dbraw/zinc/96/85/38/168968538.db2.gz VKDCEZNDLSXFLR-UHFFFAOYSA-N 0 0 177.182 1.660 10 0 ADAERN Cc1nccc(C(N)=O)c1OC1CC1 95736955 168969001 /nfs/dbraw/zinc/96/90/01/168969001.db2.gz DLWXJIWVYCPFAH-UHFFFAOYSA-N 0 0 192.218 1.030 10 0 ADAERN Cc1nccc(CNc2cn[nH]c2)n1 54790230 168969544 /nfs/dbraw/zinc/96/95/44/168969544.db2.gz STTCGLRAGLJLQJ-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1ncc2ncn(C(C)C)c2n1 96311358 168969851 /nfs/dbraw/zinc/96/98/51/168969851.db2.gz MTVNXBKKYOCBOV-UHFFFAOYSA-N 0 0 176.223 1.716 10 0 ADAERN Cc1nccc(Cl)c1C=O 95761195 168970252 /nfs/dbraw/zinc/97/02/52/168970252.db2.gz HLWQILPVVRCONG-UHFFFAOYSA-N 0 0 155.584 1.856 10 0 ADAERN Cc1ncc2nc(C)c(C)nc2n1 39113950 168970335 /nfs/dbraw/zinc/97/03/35/168970335.db2.gz ZGWOCNDIGLJDDX-UHFFFAOYSA-N 0 0 174.207 1.345 10 0 ADAERN Cc1nccc(N(C)CC2CC2)n1 306425110 168970734 /nfs/dbraw/zinc/97/07/34/168970734.db2.gz CDRUFYGWRIBLNT-UHFFFAOYSA-N 0 0 177.251 1.631 10 0 ADAERN Cc1nccc(N[C@@H]2CC2(C)C)n1 54936414 168971199 /nfs/dbraw/zinc/97/11/99/168971199.db2.gz ZCTHTLOVSOIIRK-MRVPVSSYSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ncccc1CN1CC(F)C1 306327508 168971394 /nfs/dbraw/zinc/97/13/94/168971394.db2.gz XUENXDWWJQPPNN-UHFFFAOYSA-N 0 0 180.226 1.544 10 0 ADAERN Cc1ncccc1[C@H](N)C(F)(F)F 95761201 168971396 /nfs/dbraw/zinc/97/13/96/168971396.db2.gz MOXADZZEKYXZFL-ZETCQYMHSA-N 0 0 190.168 1.952 10 0 ADAERN Cc1nccc2cccn12 34448167 168971409 /nfs/dbraw/zinc/97/14/09/168971409.db2.gz MXZGDRRSUWFPJR-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN Cc1ncccc1C(=O)N1CC(C)C1 335850747 168971738 /nfs/dbraw/zinc/97/17/38/168971738.db2.gz JTYPCXVFAGKKAW-UHFFFAOYSA-N 0 0 190.246 1.482 10 0 ADAERN Cc1nccc2oc(C=O)cc12 82405212 168971883 /nfs/dbraw/zinc/97/18/83/168971883.db2.gz GBPPZPJZQBRKLK-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN Cc1ncccc1NO 39051098 168971993 /nfs/dbraw/zinc/97/19/93/168971993.db2.gz NSTOORJIOBGQEN-UHFFFAOYSA-N 0 0 124.143 1.191 10 0 ADAERN Cc1ncccc1[C@@H]1COCCN1 83272857 168972500 /nfs/dbraw/zinc/97/25/00/168972500.db2.gz MSYDNSXPIFMKHI-JTQLQIEISA-N 0 0 178.235 1.051 10 0 ADAERN Cc1nccc2sc(N)nc12 89229152 168972655 /nfs/dbraw/zinc/97/26/55/168972655.db2.gz FMYBIDQROABQPG-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN Cc1nccn1OCc1ccccc1 32298159 168973020 /nfs/dbraw/zinc/97/30/20/168973020.db2.gz OYLKQQOOOBLAIZ-UHFFFAOYSA-N 0 0 188.230 1.820 10 0 ADAERN Cc1nccn1[C@H]1CCC[C@@H]1O 37694414 168975755 /nfs/dbraw/zinc/97/57/55/168975755.db2.gz MXQFZSFABGSOKB-IUCAKERBSA-N 0 0 166.224 1.277 10 0 ADAERN Cc1nccnc1N[C@@H]1C[C@@H]1C 214461502 168975780 /nfs/dbraw/zinc/97/57/80/168975780.db2.gz RCURTAPLQZZQMH-POYBYMJQSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1nccnc1N[C@H]1C[C@@H]2C[C@@H]2C1 306563400 168975810 /nfs/dbraw/zinc/97/58/10/168975810.db2.gz DCRMDBPILSGBKS-ILWJIGKKSA-N 0 0 189.262 1.995 10 0 ADAERN Cc1ncn(-c2ccc(N)cc2C)n1 82655683 168976273 /nfs/dbraw/zinc/97/62/73/168976273.db2.gz VUWZIXRSVLHPJM-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1nccn1[C@H](C)C(N)=S 43514796 168976324 /nfs/dbraw/zinc/97/63/24/168976324.db2.gz INEVIKFVZVPWCW-RXMQYKEDSA-N 0 0 169.253 1.039 10 0 ADAERN Cc1ncn(-c2cccc(N)c2)n1 82655555 168976331 /nfs/dbraw/zinc/97/63/31/168976331.db2.gz XIZWDHCIEPVQJV-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ncn(C)c1-c1ccc(N)cc1 82588146 168976761 /nfs/dbraw/zinc/97/67/61/168976761.db2.gz TWEVEEQYEPAZQD-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1ncn(CCCF)c(=O)c1C 307079654 168977167 /nfs/dbraw/zinc/97/71/67/168977167.db2.gz HYUDMKMGEQTQKK-UHFFFAOYSA-N 0 0 184.214 1.220 10 0 ADAERN Cc1ncncc1NCc1ccc[nH]1 83341366 168977591 /nfs/dbraw/zinc/97/75/91/168977591.db2.gz ZLHKRZPIBRJCHD-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN Cc1ncnc(C(C)C)c1N 82319983 168977730 /nfs/dbraw/zinc/97/77/30/168977730.db2.gz VBSPSAYTRLYJRY-UHFFFAOYSA-N 0 0 151.213 1.491 10 0 ADAERN Cc1ncncc1NC(C)C 95088385 168978046 /nfs/dbraw/zinc/97/80/46/168978046.db2.gz GYMSBQHXZBCHBZ-UHFFFAOYSA-N 0 0 151.213 1.605 10 0 ADAERN Cc1ncnc2cnccc12 24602451 168978491 /nfs/dbraw/zinc/97/84/91/168978491.db2.gz BUNZGFIINLFNNQ-UHFFFAOYSA-N 0 0 145.165 1.333 10 0 ADAERN Cc1ncnc(C)c1C 39053447 168978764 /nfs/dbraw/zinc/97/87/64/168978764.db2.gz HLTWPEDCRAMGSW-UHFFFAOYSA-N 0 0 122.171 1.402 10 0 ADAERN Cc1ncoc1C(=O)N[C@H]1C[C@@H]1C 306462557 168979263 /nfs/dbraw/zinc/97/92/63/168979263.db2.gz ABBCUXDLSCROOS-FSPLSTOPSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1ncsc1-c1nnc(N)s1 19874352 168979286 /nfs/dbraw/zinc/97/92/86/168979286.db2.gz RNCZRNXKKYMNKE-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Cc1ncoc1C(=O)N(C)CC1CC1 336415100 168979355 /nfs/dbraw/zinc/97/93/55/168979355.db2.gz NPTXCYMWULBFMW-UHFFFAOYSA-N 0 0 194.234 1.465 10 0 ADAERN Cc1ncsc1C(=O)N[C@@H]1C[C@@H]1C 307754237 168979820 /nfs/dbraw/zinc/97/98/20/168979820.db2.gz YOQMGRDQLYPNJP-CAHLUQPWSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1nn(C)c(C)c1C(=O)C(C)C 39038762 168981210 /nfs/dbraw/zinc/98/12/10/168981210.db2.gz KUVPGBBAWQGZGU-UHFFFAOYSA-N 0 0 180.251 1.876 10 0 ADAERN Cc1nn(C)c(-c2cccn2C)c1N 77275438 168981876 /nfs/dbraw/zinc/98/18/76/168981876.db2.gz OEPGNXNGYBDIQA-UHFFFAOYSA-N 0 0 190.250 1.316 10 0 ADAERN Cc1nn(C)c(-c2cccnc2)c1N 77274161 168982248 /nfs/dbraw/zinc/98/22/48/168982248.db2.gz VEXZSSLNDJKYEQ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nn(C(=O)C(C)C)c2c1CCC2 39112264 168982333 /nfs/dbraw/zinc/98/23/33/168982333.db2.gz VPIQMLWVOHTCNB-UHFFFAOYSA-N 0 0 192.262 1.976 10 0 ADAERN CC1=NN(c2ccncc2)C(C)C1=O 31886565 168982380 /nfs/dbraw/zinc/98/23/80/168982380.db2.gz NULPQDIRXQGRGP-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN Cc1nn(C(C)C)c(N)c1C 45628375 168982433 /nfs/dbraw/zinc/98/24/33/168982433.db2.gz OPNIZLNYKNTTKV-UHFFFAOYSA-N 0 0 153.229 1.663 10 0 ADAERN Cc1nn(C)c(-c2ccccc2)c1N 59843362 168982479 /nfs/dbraw/zinc/98/24/79/168982479.db2.gz CXCCAZSMEZMGNR-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1nn(C)c2c1[C@H](O)CCC2 72415897 168983007 /nfs/dbraw/zinc/98/30/07/168983007.db2.gz YPUOKENSSJAUEW-MRVPVSSYSA-N 0 0 166.224 1.098 10 0 ADAERN Cc1nn(C)c(N)c1C(F)(F)F 238855434 168983094 /nfs/dbraw/zinc/98/30/94/168983094.db2.gz RTMOWDNQMPPRTD-UHFFFAOYSA-N 0 0 179.145 1.330 10 0 ADAERN Cc1nn(C)c(N(C)CC(C)C)c1N 36749304 168983197 /nfs/dbraw/zinc/98/31/97/168983197.db2.gz YXEUHHMFUORIHR-UHFFFAOYSA-N 0 0 196.298 1.403 10 0 ADAERN Cc1nn(C)c2c(C=O)cncc12 82399124 168983616 /nfs/dbraw/zinc/98/36/16/168983616.db2.gz GTMKPMRJGWGLPO-UHFFFAOYSA-N 0 0 175.191 1.089 10 0 ADAERN Cc1nn(C)c2c1[C@@H](O)C[C@@H](C)C2 72415898 168983782 /nfs/dbraw/zinc/98/37/82/168983782.db2.gz KBHFBRLFDKGRHQ-RCOVLWMOSA-N 0 0 180.251 1.344 10 0 ADAERN Cc1nn(C)c2cc(C=O)ccc12 76600280 168983832 /nfs/dbraw/zinc/98/38/32/168983832.db2.gz BKRBPLFRTVLZIN-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN Cc1nn(C)c(N(C)C(C)C)c1N 36748921 168983879 /nfs/dbraw/zinc/98/38/79/168983879.db2.gz XZLIQQSOBFWJPU-UHFFFAOYSA-N 0 0 182.271 1.155 10 0 ADAERN Cc1nn(C)c(Cl)c1CN(C)C 37460278 168983890 /nfs/dbraw/zinc/98/38/90/168983890.db2.gz ZJYBVJKUDIJAAI-UHFFFAOYSA-N 0 0 187.674 1.444 10 0 ADAERN Cc1nn(C)c(N[C@@H]2CC2(C)C)c1N 45118033 168984020 /nfs/dbraw/zinc/98/40/20/168984020.db2.gz XGHNGVYLXVRYAQ-SSDOTTSWSA-N 0 0 194.282 1.521 10 0 ADAERN Cc1nn(C)c(N2CCC[C@@H]2C)c1N 37910173 168984193 /nfs/dbraw/zinc/98/41/93/168984193.db2.gz NDGATDIEHNQNGY-ZETCQYMHSA-N 0 0 194.282 1.299 10 0 ADAERN Cc1nn(C)c2c1[C@H](O)C[C@H](C)C2 72415901 168984394 /nfs/dbraw/zinc/98/43/94/168984394.db2.gz KBHFBRLFDKGRHQ-HZGVNTEJSA-N 0 0 180.251 1.344 10 0 ADAERN Cc1nn(C)cc1NCc1cc[nH]n1 20351081 168984777 /nfs/dbraw/zinc/98/47/77/168984777.db2.gz QQABTIYEMUYTNY-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN Cc1nn(C)cc1-c1ccncn1 72462179 168986379 /nfs/dbraw/zinc/98/63/79/168986379.db2.gz OOGKBXVRMMKNKG-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN Cc1nn(CCCCCO)c(C)c1N 51021236 168986827 /nfs/dbraw/zinc/98/68/27/168986827.db2.gz ZBHHAYLCYNKHAB-UHFFFAOYSA-N 0 0 197.282 1.245 10 0 ADAERN Cc1nn([C@H](C)[C@H](C)O)c(C)c1C 44187046 168986883 /nfs/dbraw/zinc/98/68/83/168986883.db2.gz LCWGFBHUBPHVJB-ZJUUUORDSA-N 0 0 182.267 1.750 10 0 ADAERN Cc1[nH]n2ccnc2c1Cl 39133824 168986934 /nfs/dbraw/zinc/98/69/34/168986934.db2.gz PCXCXBGXIWICQI-UHFFFAOYSA-N 0 0 155.588 1.624 10 0 ADAERN Cc1nn([C@@H](C)C2CC2)cc1C=O 40932041 168986942 /nfs/dbraw/zinc/98/69/42/168986942.db2.gz MUXBUXKZYCHDSJ-QMMMGPOBSA-N 0 0 178.235 1.975 10 0 ADAERN Cc1nn(CCCCO)c(C)c1C 40731235 168987228 /nfs/dbraw/zinc/98/72/28/168987228.db2.gz GYPYYQOECBJTCB-UHFFFAOYSA-N 0 0 182.267 1.581 10 0 ADAERN Cc1nn([C@H]2CCC[C@H]2O)c(C)c1N 54599784 168987381 /nfs/dbraw/zinc/98/73/81/168987381.db2.gz MQUAJEWTRXIXLT-DTWKUNHWSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1nn(C[C@H](C)O)c(C)c1Cl 50587478 168987386 /nfs/dbraw/zinc/98/73/86/168987386.db2.gz LHFCQGSSQHSCGV-YFKPBYRVSA-N 0 0 188.658 1.534 10 0 ADAERN Cc1nn([C@@H](C)[C@@H](C)O)c(C)c1C 44187041 168987399 /nfs/dbraw/zinc/98/73/99/168987399.db2.gz LCWGFBHUBPHVJB-VHSXEESVSA-N 0 0 182.267 1.750 10 0 ADAERN Cc1nn([C@@H](C)[C@H](C)O)c(C)c1C 44187044 168987587 /nfs/dbraw/zinc/98/75/87/168987587.db2.gz LCWGFBHUBPHVJB-UWVGGRQHSA-N 0 0 182.267 1.750 10 0 ADAERN Cc1nn([C@H]2CCC[C@H]2O)c(N)c1C 54599768 168987652 /nfs/dbraw/zinc/98/76/52/168987652.db2.gz SWIPUPBBGNRUFT-DTWKUNHWSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1nn(C[C@@H]2CO2)c(C)c1Cl 50586562 168987680 /nfs/dbraw/zinc/98/76/80/168987680.db2.gz WVGYZTABVNCHDP-SSDOTTSWSA-N 0 0 186.642 1.552 10 0 ADAERN Cc1nn([C@@H]2CCC[C@@H]2O)c(C)c1C 42287729 168988275 /nfs/dbraw/zinc/98/82/75/168988275.db2.gz SUGZCLGXFFDADG-MNOVXSKESA-N 0 0 194.278 1.894 10 0 ADAERN Cc1nn(CCC[C@H](C)O)c(C)c1C 45621162 168988450 /nfs/dbraw/zinc/98/84/50/168988450.db2.gz LPMYCVXDBYDTCN-QMMMGPOBSA-N 0 0 196.294 1.969 10 0 ADAERN Cc1nc2c(Cl)c(C)[nH]n2n1 118504062 168989296 /nfs/dbraw/zinc/98/92/96/168989296.db2.gz VMEIPSLBJGQOFK-UHFFFAOYSA-N 0 0 170.603 1.328 10 0 ADAERN Cc1nnc(C=O)n1-c1ccccc1 75844256 168989413 /nfs/dbraw/zinc/98/94/13/168989413.db2.gz HQIAGNLDQFICRY-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN Cc1nnc(-c2cccnc2)n1C 35940051 168989615 /nfs/dbraw/zinc/98/96/15/168989615.db2.gz RIYIHXYQOJCWKK-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN Cc1nnc(-c2ccccc2)nn1 198792 168989831 /nfs/dbraw/zinc/98/98/31/168989831.db2.gz RIEDBFFMXQWXTM-UHFFFAOYSA-N 0 0 172.191 1.242 10 0 ADAERN Cc1nnc(-c2ccc(O)cc2)n1C 75838679 168989997 /nfs/dbraw/zinc/98/99/97/168989997.db2.gz JBVPMAVVBDEHLQ-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN Cc1nnc(C(=O)C(C)(C)C)n1C 75854948 168990319 /nfs/dbraw/zinc/99/03/19/168990319.db2.gz GRFXMRQKZJHUFR-UHFFFAOYSA-N 0 0 181.239 1.352 10 0 ADAERN Cc1nnc(-c2ccc(N)cc2C)o1 44749604 168990384 /nfs/dbraw/zinc/99/03/84/168990384.db2.gz PUZHVFFWRYEHIM-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1nnc(Cc2csc(N)n2)o1 83342502 168990639 /nfs/dbraw/zinc/99/06/39/168990639.db2.gz GQRXLJHULTXDQZ-UHFFFAOYSA-N 0 0 196.235 1.008 10 0 ADAERN Cc1nnc(N2CC[C@@H](C)[C@@H]2C)o1 306381826 168990924 /nfs/dbraw/zinc/99/09/24/168990924.db2.gz AHIMHLPUOCRTBT-RQJHMYQMSA-N 0 0 181.239 1.613 10 0 ADAERN Cc1nnc(N2CCCCCC2)n1C 336426283 168991079 /nfs/dbraw/zinc/99/10/79/168991079.db2.gz CFNMRYYHLNMAAQ-UHFFFAOYSA-N 0 0 194.282 1.504 10 0 ADAERN Cc1nnc(N2CC[C@H](C)[C@H]2C)o1 306381824 168991667 /nfs/dbraw/zinc/99/16/67/168991667.db2.gz AHIMHLPUOCRTBT-NKWVEPMBSA-N 0 0 181.239 1.613 10 0 ADAERN Cc1nnc(N(C)CC2CC2)s1 306238727 168991994 /nfs/dbraw/zinc/99/19/94/168991994.db2.gz PSJDTHQSOKJHIV-UHFFFAOYSA-N 0 0 183.280 1.693 10 0 ADAERN Cc1nnc(Cc2cccc(N)c2)o1 82530191 168992292 /nfs/dbraw/zinc/99/22/92/168992292.db2.gz JHDVGNCPYQFZTC-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN Cc1nnc(N2CC[C@H](C)[C@@H]2C)o1 306381823 168992391 /nfs/dbraw/zinc/99/23/91/168992391.db2.gz AHIMHLPUOCRTBT-BQBZGAKWSA-N 0 0 181.239 1.613 10 0 ADAERN Cc1nnc(N[C@H]2CC[C@@H]2C)o1 306539169 168992645 /nfs/dbraw/zinc/99/26/45/168992645.db2.gz UQYQGSTZMVTDLX-FSPLSTOPSA-N 0 0 167.212 1.588 10 0 ADAERN Cc1nnc(N[C@H]2C[C@@H]2C)o1 306470527 168993142 /nfs/dbraw/zinc/99/31/42/168993142.db2.gz XNRYMKIPTJVJRR-NJGYIYPDSA-N 0 0 153.185 1.198 10 0 ADAERN Cc1nnc(N[C@@H]2CC2(C)C)o1 306290552 168993437 /nfs/dbraw/zinc/99/34/37/168993437.db2.gz QQSGUZQCVOKGMK-ZCFIWIBFSA-N 0 0 167.212 1.588 10 0 ADAERN Cc1nnc(N[C@H]2C[C@H]2C)o1 306470529 168993491 /nfs/dbraw/zinc/99/34/91/168993491.db2.gz XNRYMKIPTJVJRR-XINAWCOVSA-N 0 0 153.185 1.198 10 0 ADAERN Cc1nnc(N[C@@H]2CC[C@H]2C)o1 306539174 168993575 /nfs/dbraw/zinc/99/35/75/168993575.db2.gz UQYQGSTZMVTDLX-IYSWYEEDSA-N 0 0 167.212 1.588 10 0 ADAERN Cc1nnc(N[C@H]2CSC2(C)C)o1 306506194 168993619 /nfs/dbraw/zinc/99/36/19/168993619.db2.gz VFZCUPHZWNBYOR-LURJTMIESA-N 0 0 199.279 1.684 10 0 ADAERN Cc1nnc(NC[C@@H]2C[C@H]2C)o1 307753229 168993625 /nfs/dbraw/zinc/99/36/25/168993625.db2.gz UYRJLZZVEMCWNR-VDTYLAMSSA-N 0 0 167.212 1.446 10 0 ADAERN Cc1nnc(N[C@H](C)C(C)C)o1 306292879 168993670 /nfs/dbraw/zinc/99/36/70/168993670.db2.gz WHIZJEAEZOEHPU-ZCFIWIBFSA-N 0 0 169.228 1.834 10 0 ADAERN Cc1nnc([C@@H](C)N2CCCCC2)o1 336360802 168993718 /nfs/dbraw/zinc/99/37/18/168993718.db2.gz DTNWKNQJJGNXBK-MRVPVSSYSA-N 0 0 195.266 1.925 10 0 ADAERN Cc1nnc(NC[C@H]2C[C@H]2C)o1 307753228 168994446 /nfs/dbraw/zinc/99/44/46/168994446.db2.gz UYRJLZZVEMCWNR-IYSWYEEDSA-N 0 0 167.212 1.446 10 0 ADAERN Cc1nnc(N[C@H]2CC[C@H]2C)o1 306539176 168994545 /nfs/dbraw/zinc/99/45/45/168994545.db2.gz UQYQGSTZMVTDLX-VDTYLAMSSA-N 0 0 167.212 1.588 10 0 ADAERN Cc1nnccc1NC(=O)NC(C)C 334382101 168994562 /nfs/dbraw/zinc/99/45/62/168994562.db2.gz KAXBRHXHPOLTGP-UHFFFAOYSA-N 0 0 194.238 1.315 10 0 ADAERN Cc1nnccc1NC(=O)C1=CCC1 334677608 168994568 /nfs/dbraw/zinc/99/45/68/168994568.db2.gz IVWCYEWMLKWFLF-UHFFFAOYSA-N 0 0 189.218 1.444 10 0 ADAERN Cc1nnc2ccnc(C)c2n1 26567669 168994582 /nfs/dbraw/zinc/99/45/82/168994582.db2.gz JKFHTFWIIMAUHR-UHFFFAOYSA-N 0 0 160.180 1.037 10 0 ADAERN Cc1nnc2oc3cc(O)ccc3n12 40538853 168994818 /nfs/dbraw/zinc/99/48/18/168994818.db2.gz WYNONYAYXWNMGG-UHFFFAOYSA-N 0 0 189.174 1.490 10 0 ADAERN Cc1nncn1-c1ccc(N)c(F)c1 82655734 168995020 /nfs/dbraw/zinc/99/50/20/168995020.db2.gz VALFORKRXIXCLA-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN Cc1nncc2ccncc12 24602342 168995114 /nfs/dbraw/zinc/99/51/14/168995114.db2.gz JWZXXBVVFYOAMS-UHFFFAOYSA-N 0 0 145.165 1.333 10 0 ADAERN Cc1nnccc1NC(=O)CC1CC1 336533752 168995237 /nfs/dbraw/zinc/99/52/37/168995237.db2.gz OUAWKTORYNSGDC-UHFFFAOYSA-N 0 0 191.234 1.524 10 0 ADAERN Cc1nnnn1CC1=CCCCC1 334620954 168995772 /nfs/dbraw/zinc/99/57/72/168995772.db2.gz HJYBRYDDXWTQAH-UHFFFAOYSA-N 0 0 178.239 1.482 10 0 ADAERN Cc1noc(-c2cc(N)ccc2F)n1 37475115 168996445 /nfs/dbraw/zinc/99/64/45/168996445.db2.gz FANCNAWEONUABZ-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cc1noc(-c2cccn2C)n1 64551282 168996459 /nfs/dbraw/zinc/99/64/59/168996459.db2.gz GVWUUJXKBWATHR-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN Cc1noc(-c2ccn(C)c2)c1N 82529419 168996729 /nfs/dbraw/zinc/99/67/29/168996729.db2.gz HUSUZBQVGJBIIY-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN Cc1noc(-c2ccc(F)cc2N)n1 21787529 168997081 /nfs/dbraw/zinc/99/70/81/168997081.db2.gz TTWPHVILFGSOIR-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cc1noc(C(C)C)c1CO 39112945 168997100 /nfs/dbraw/zinc/99/71/00/168997100.db2.gz QFXZUUWTJWIVFE-UHFFFAOYSA-N 0 0 155.197 1.599 10 0 ADAERN Cc1noc(-c2csc(N)n2)n1 55189448 168997139 /nfs/dbraw/zinc/99/71/39/168997139.db2.gz OVHGQGKFRDBBHO-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1noc(-c2[nH]ccc2C)n1 334893532 168997150 /nfs/dbraw/zinc/99/71/50/168997150.db2.gz CIYVRDOAIJFNPS-UHFFFAOYSA-N 0 0 163.180 1.682 10 0 ADAERN Cc1noc(C)c1C(=O)N1CCCO1 336588811 168997276 /nfs/dbraw/zinc/99/72/76/168997276.db2.gz LJCDNFKNWOLECZ-UHFFFAOYSA-N 0 0 196.206 1.069 10 0 ADAERN Cc1noc(-c2n[nH]c(C)c2C)n1 306248230 168997472 /nfs/dbraw/zinc/99/74/72/168997472.db2.gz PUQZOHBYUVCYFF-UHFFFAOYSA-N 0 0 178.195 1.385 10 0 ADAERN Cc1noc(C)c1C(=O)N1CC(C)C1 336354127 168997566 /nfs/dbraw/zinc/99/75/66/168997566.db2.gz VHUFTXQQSGDVES-UHFFFAOYSA-N 0 0 194.234 1.383 10 0 ADAERN Cc1noc(-c2cccc(C)c2N)n1 19231354 168997667 /nfs/dbraw/zinc/99/76/67/168997667.db2.gz RUQVEDITIICMOB-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1noc(-c2c[nH]c(=O)cc2C)n1 334473355 168997751 /nfs/dbraw/zinc/99/77/51/168997751.db2.gz LEAFVZDCRCSIPR-UHFFFAOYSA-N 0 0 191.190 1.454 10 0 ADAERN Cc1noc(C)c1Cn1cc(N)cn1 26510245 168998525 /nfs/dbraw/zinc/99/85/25/168998525.db2.gz MVSMJHASURFYJU-UHFFFAOYSA-N 0 0 192.222 1.118 10 0 ADAERN Cc1noc(C2(CCF)CC2)n1 307687421 168999781 /nfs/dbraw/zinc/99/97/81/168999781.db2.gz DVQWJEOHJZIBBP-UHFFFAOYSA-N 0 0 170.187 1.769 10 0 ADAERN Cc1noc(C2CC=CC2)n1 306295857 168999927 /nfs/dbraw/zinc/99/99/27/168999927.db2.gz BBAHQLZOXMBDTI-UHFFFAOYSA-N 0 0 150.181 1.812 10 0 ADAERN Cc1noc(CN2[C@@H](C)C[C@@H]2C)n1 307742085 169000209 /nfs/dbraw/zinc/00/02/09/169000209.db2.gz JXVMCUHELZOLSR-BQBZGAKWSA-N 0 0 181.239 1.361 10 0 ADAERN Cc1noc([C@@H]2CCCN2C2CC2)n1 334314153 169000251 /nfs/dbraw/zinc/00/02/51/169000251.db2.gz OSIHBTFQDBJZAF-VIFPVBQESA-N 0 0 193.250 1.677 10 0 ADAERN Cc1noc([C@@H]2CCCO[C@H]2C)n1 307578490 169000285 /nfs/dbraw/zinc/00/02/85/169000285.db2.gz NVZUSUIPNJGKJI-POYBYMJQSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc(N)c1-c1ccco1 77261489 169000288 /nfs/dbraw/zinc/00/02/88/169000288.db2.gz OSBZGJXCOFSDIP-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cc1noc(CN2[C@H](C)C[C@H]2C)n1 307742087 169000368 /nfs/dbraw/zinc/00/03/68/169000368.db2.gz JXVMCUHELZOLSR-RNFRBKRXSA-N 0 0 181.239 1.361 10 0 ADAERN Cc1noc([C@@H]2CCCC[C@H]2O)n1 82430384 169000379 /nfs/dbraw/zinc/00/03/79/169000379.db2.gz WRKYJNJXGXCPDQ-HTQZYQBOSA-N 0 0 182.223 1.397 10 0 ADAERN Cc1noc(CN2C[C@@H](C)[C@H]2C)n1 307154382 169000455 /nfs/dbraw/zinc/00/04/55/169000455.db2.gz DATMXVMEXWQDSM-RNFRBKRXSA-N 0 0 181.239 1.218 10 0 ADAERN Cc1noc([C@@H](N)C(C)(C)C)n1 35411465 169000499 /nfs/dbraw/zinc/00/04/99/169000499.db2.gz DFMAZPXINLXJGS-ZCFIWIBFSA-N 0 0 169.228 1.424 10 0 ADAERN Cc1noc([C@@H](N)CC(C)C)n1 20566953 169000654 /nfs/dbraw/zinc/00/06/54/169000654.db2.gz ARQJEOFHXMSLER-ZETCQYMHSA-N 0 0 169.228 1.424 10 0 ADAERN Cc1noc(N)c1CC(C)C 44419223 169000677 /nfs/dbraw/zinc/00/06/77/169000677.db2.gz SNEDWYMBEDULML-UHFFFAOYSA-N 0 0 154.213 1.764 10 0 ADAERN Cc1noc([C@@H]2CCCO[C@@H]2C)n1 307248942 169000691 /nfs/dbraw/zinc/00/06/91/169000691.db2.gz NVZUSUIPNJGKJI-HTRCEHHLSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc(NCc2ccc(C)o2)n1 57353902 169000711 /nfs/dbraw/zinc/00/07/11/169000711.db2.gz AGXHXEYKWIGYAD-UHFFFAOYSA-N 0 0 193.206 1.892 10 0 ADAERN Cc1noc(CNCc2ccco2)n1 37980761 169000858 /nfs/dbraw/zinc/00/08/58/169000858.db2.gz NSLIJNOQKXLCOV-UHFFFAOYSA-N 0 0 193.206 1.261 10 0 ADAERN Cc1noc(CN2C[C@H](C)[C@@H]2C)n1 307154380 169000866 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/nfs/dbraw/zinc/00/14/08/169001408.db2.gz KEOFJLXDCYAYHS-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1noc(CN2[C@@H](C)C[C@H]2C)n1 307742086 169001495 /nfs/dbraw/zinc/00/14/95/169001495.db2.gz JXVMCUHELZOLSR-KNVOCYPGSA-N 0 0 181.239 1.361 10 0 ADAERN Cc1noc(N)c1-c1ccncc1 19046046 169001506 /nfs/dbraw/zinc/00/15/06/169001506.db2.gz MSUKZQZWNRUBJC-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1noc(Cl)c1CCO 34070553 169001542 /nfs/dbraw/zinc/00/15/42/169001542.db2.gz TXOMJVYXQHOKRH-UHFFFAOYSA-N 0 0 161.588 1.171 10 0 ADAERN Cc1noc(CN2C[C@H](C)[C@H]2C)n1 307154381 169001567 /nfs/dbraw/zinc/00/15/67/169001567.db2.gz DATMXVMEXWQDSM-NKWVEPMBSA-N 0 0 181.239 1.218 10 0 ADAERN Cc1noc(Cc2csc(N)n2)n1 20021547 169001672 /nfs/dbraw/zinc/00/16/72/169001672.db2.gz IJUGHSVPNBVWPX-UHFFFAOYSA-N 0 0 196.235 1.008 10 0 ADAERN Cc1[nH]oc(=O)c1C(C)C 20064347 169001728 /nfs/dbraw/zinc/00/17/28/169001728.db2.gz AQMHTCGXRNNKGA-UHFFFAOYSA-N 0 0 141.170 1.812 10 0 ADAERN Cc1[nH]oc(=NN)c1-c1ccccc1 75579176 169001734 /nfs/dbraw/zinc/00/17/34/169001734.db2.gz KWRFGDROADZYBU-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1noc([C@@H]2CC23CC3)n1 335599500 169001741 /nfs/dbraw/zinc/00/17/41/169001741.db2.gz RGKQLBRBZLIIQE-LURJTMIESA-N 0 0 150.181 1.646 10 0 ADAERN Cc1noc(NCc2ccncc2)n1 57353898 169001764 /nfs/dbraw/zinc/00/17/64/169001764.db2.gz HWPZYLCGEWRQAI-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1noc(CNc2nccs2)n1 38035160 169001769 /nfs/dbraw/zinc/00/17/69/169001769.db2.gz FSHJJWUSBWLADT-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN Cc1noc(CNC2CCC2)n1 44481847 169001791 /nfs/dbraw/zinc/00/17/91/169001791.db2.gz ZSFOGBHJZRSELK-UHFFFAOYSA-N 0 0 167.212 1.020 10 0 ADAERN Cc1[nH]oc(=O)c1Br 34413805 169001802 /nfs/dbraw/zinc/00/18/02/169001802.db2.gz WNUGYBCBFDMUNV-UHFFFAOYSA-N 0 0 177.985 1.451 10 0 ADAERN Cc1noc([C@@H]2CCCOCC2)n1 306186838 169001814 /nfs/dbraw/zinc/00/18/14/169001814.db2.gz BNCIQSWIXXLXJB-MRVPVSSYSA-N 0 0 182.223 1.662 10 0 ADAERN Cc1noc(Cc2cncs2)n1 306232566 169001820 /nfs/dbraw/zinc/00/18/20/169001820.db2.gz CHPVCZLYUQFHEN-UHFFFAOYSA-N 0 0 181.220 1.425 10 0 ADAERN Cc1noc(CN2C[C@@H](C)[C@@H]2C)n1 307154383 169001829 /nfs/dbraw/zinc/00/18/29/169001829.db2.gz DATMXVMEXWQDSM-RQJHMYQMSA-N 0 0 181.239 1.218 10 0 ADAERN Cc1noc(N)c1-c1cccnc1 77265706 169001938 /nfs/dbraw/zinc/00/19/38/169001938.db2.gz PRPSCLSFXDMMFT-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1noc(CNc2ccccn2)n1 38035173 169001964 /nfs/dbraw/zinc/00/19/64/169001964.db2.gz PIEHDUXGCPWILS-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1noc([C@@H](C)c2cccnc2)n1 336494830 169001988 /nfs/dbraw/zinc/00/19/88/169001988.db2.gz WMQYZEVMJRGKSA-ZETCQYMHSA-N 0 0 189.218 1.925 10 0 ADAERN Cc1noc(N(O)C=N)c1C 39114510 169002106 /nfs/dbraw/zinc/00/21/06/169002106.db2.gz USKJFDHYGGSQPD-UHFFFAOYSA-N 0 0 155.157 1.094 10 0 ADAERN Cc1noc(CON)c1Cl 39113116 169002231 /nfs/dbraw/zinc/00/22/31/169002231.db2.gz YYNUTCHFWJHJBY-UHFFFAOYSA-N 0 0 162.576 1.027 10 0 ADAERN Cc1noc(NC(C)(C)C)n1 53750781 169002253 /nfs/dbraw/zinc/00/22/53/169002253.db2.gz OACJSESDEXKNLS-UHFFFAOYSA-N 0 0 155.201 1.588 10 0 ADAERN Cc1noc(NC(=O)C(C)C)c1C 223746132 169002257 /nfs/dbraw/zinc/00/22/57/169002257.db2.gz RCQVYXQXQNLSSH-UHFFFAOYSA-N 0 0 182.223 1.886 10 0 ADAERN Cc1noc2cc[nH]c12 76570996 169002427 /nfs/dbraw/zinc/00/24/27/169002427.db2.gz QJSVDUSQFDWGAS-UHFFFAOYSA-N 0 0 122.127 1.464 10 0 ADAERN Cc1noc([C@@]2(C)C[C@@H]2F)n1 335276193 169002485 /nfs/dbraw/zinc/00/24/85/169002485.db2.gz HZNIRYGVJZBEJI-FSPLSTOPSA-N 0 0 156.160 1.378 10 0 ADAERN Cc1noc2[nH]c(=NN)cc(Cl)c12 39213816 169002505 /nfs/dbraw/zinc/00/25/05/169002505.db2.gz FVWZOBIGMHOUFP-UHFFFAOYSA-N 0 0 198.613 1.470 10 0 ADAERN Cc1noc([C@H]2C[C@@H]2C(F)F)n1 307206018 169002512 /nfs/dbraw/zinc/00/25/12/169002512.db2.gz HDNSSFDOJGOOAC-WHFBIAKZSA-N 0 0 174.150 1.747 10 0 ADAERN Cc1noc([C@]2(C)CCCCN2)n1 127574150 169002538 /nfs/dbraw/zinc/00/25/38/169002538.db2.gz IXMWFOWBJMICRV-VIFPVBQESA-N 0 0 181.239 1.367 10 0 ADAERN Cc1noc2nc(C(C)C)[nH]c(=O)c12 82388335 169002567 /nfs/dbraw/zinc/00/25/67/169002567.db2.gz PXVROPSJKREJGA-UHFFFAOYSA-N 0 0 193.206 1.343 10 0 ADAERN Cc1noc2c1C=C[C@@H](C)N2 39112815 169002577 /nfs/dbraw/zinc/00/25/77/169002577.db2.gz VIBFRBPGZXPHGY-RXMQYKEDSA-N 0 0 150.181 1.810 10 0 ADAERN Cc1noc([C@@]2(C)C[C@H]2F)n1 335276195 169002590 /nfs/dbraw/zinc/00/25/90/169002590.db2.gz HZNIRYGVJZBEJI-VDTYLAMSSA-N 0 0 156.160 1.378 10 0 ADAERN Cc1noc([C@H]2CC23CC3)n1 335599502 169002603 /nfs/dbraw/zinc/00/26/03/169002603.db2.gz RGKQLBRBZLIIQE-ZCFIWIBFSA-N 0 0 150.181 1.646 10 0 ADAERN Cc1noc([C@H]2CCCOCC2)n1 306186845 169002640 /nfs/dbraw/zinc/00/26/40/169002640.db2.gz BNCIQSWIXXLXJB-QMMMGPOBSA-N 0 0 182.223 1.662 10 0 ADAERN Cc1noc([C@@]2(C)CCCCN2)n1 127574374 169002680 /nfs/dbraw/zinc/00/26/80/169002680.db2.gz IXMWFOWBJMICRV-SECBINFHSA-N 0 0 181.239 1.367 10 0 ADAERN Cc1noc([C@H]2CC[C@@H](C)O2)n1 306363990 169002719 /nfs/dbraw/zinc/00/27/19/169002719.db2.gz AEZYTJDCXGNMBH-IYSWYEEDSA-N 0 0 168.196 1.618 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2O 136240419 343978045 /nfs/dbraw/zinc/97/80/45/343978045.db2.gz AXMKZEOEXSKFJI-FWWHASMVSA-N 0 0 168.236 1.373 10 0 ADAERN Cc1noc2cccnc12 26060056 169002797 /nfs/dbraw/zinc/00/27/97/169002797.db2.gz PNJVUKAEVGGNHT-UHFFFAOYSA-N 0 0 134.138 1.531 10 0 ADAERN Cc1noc2cc(Cl)nc(NN)c12 75600960 169002853 /nfs/dbraw/zinc/00/28/53/169002853.db2.gz FTKCWXRTKKDONX-UHFFFAOYSA-N 0 0 198.613 1.470 10 0 ADAERN Cc1noc([C@H](C)C2CCOCC2)n1 334894839 169002894 /nfs/dbraw/zinc/00/28/94/169002894.db2.gz ODJLKBYPARBEQM-SSDOTTSWSA-N 0 0 196.250 1.908 10 0 ADAERN Cc1noc2c(C=O)cncc12 82404944 169002919 /nfs/dbraw/zinc/00/29/19/169002919.db2.gz JWZZYSMVZIZSHC-UHFFFAOYSA-N 0 0 162.148 1.344 10 0 ADAERN Cc1noc([C@H](C)c2cccnc2)n1 336494829 169002960 /nfs/dbraw/zinc/00/29/60/169002960.db2.gz WMQYZEVMJRGKSA-SSDOTTSWSA-N 0 0 189.218 1.925 10 0 ADAERN Cc1noc2nc(Cl)cc(NN)c12 39213815 169002967 /nfs/dbraw/zinc/00/29/67/169002967.db2.gz SXPHEEFYPYJSBL-UHFFFAOYSA-N 0 0 198.613 1.470 10 0 ADAERN Cc1noc([C@H]2CCCC[C@@H]2O)n1 82430383 169003019 /nfs/dbraw/zinc/00/30/19/169003019.db2.gz WRKYJNJXGXCPDQ-YUMQZZPRSA-N 0 0 182.223 1.397 10 0 ADAERN Cc1noc([C@H]2CCOC[C@H]2C)n1 307104319 169003112 /nfs/dbraw/zinc/00/31/12/169003112.db2.gz BCMPQFPUNMAAIX-SVRRBLITSA-N 0 0 182.223 1.518 10 0 ADAERN Cc1noc([C@H]2CCCO[C@@H]2C)n1 307578491 169003151 /nfs/dbraw/zinc/00/31/51/169003151.db2.gz NVZUSUIPNJGKJI-SVRRBLITSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc([C@H](C)[NH3+])c1C 82838077 169003182 /nfs/dbraw/zinc/00/31/82/169003182.db2.gz XCLYTMBKDCCAFY-YFKPBYRVSA-N 0 0 140.186 1.311 10 0 ADAERN Cc1noc([C@H]2CC2(C)C)n1 306458928 169003197 /nfs/dbraw/zinc/00/31/97/169003197.db2.gz FYUMILPDIZRYRV-ZCFIWIBFSA-N 0 0 152.197 1.892 10 0 ADAERN Cc1noc2c(Cl)ncnc12 51971779 169003206 /nfs/dbraw/zinc/00/32/06/169003206.db2.gz GRJQGAWTLNUCEV-UHFFFAOYSA-N 0 0 169.571 1.580 10 0 ADAERN Cc1noc([C@@H]2CCOC[C@@H]2C)n1 307104316 169003256 /nfs/dbraw/zinc/00/32/56/169003256.db2.gz BCMPQFPUNMAAIX-POYBYMJQSA-N 0 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BCMPQFPUNMAAIX-XPUUQOCRSA-N 0 0 182.223 1.518 10 0 ADAERN Cc1noc([C@@H]2CC[C@@H](C)O2)n1 306363997 169003483 /nfs/dbraw/zinc/00/34/83/169003483.db2.gz AEZYTJDCXGNMBH-VDTYLAMSSA-N 0 0 168.196 1.618 10 0 ADAERN Cc1noc2c1CCCC(=O)N2 39113239 169003521 /nfs/dbraw/zinc/00/35/21/169003521.db2.gz KDWDDSZYSFYQHZ-UHFFFAOYSA-N 0 0 166.180 1.258 10 0 ADAERN Cc1noc2c1CCCC2 1734288 169003533 /nfs/dbraw/zinc/00/35/33/169003533.db2.gz NPZFRRYICNZFBA-UHFFFAOYSA-N 0 0 137.182 1.862 10 0 ADAERN Cc1noc([C@H]2CCCO[C@H]2C)n1 307578492 169003559 /nfs/dbraw/zinc/00/35/59/169003559.db2.gz NVZUSUIPNJGKJI-XPUUQOCRSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc([C@@H]2C[C@H]2C2CC2)n1 307154364 169003576 /nfs/dbraw/zinc/00/35/76/169003576.db2.gz CZHBWPYCBWPKKR-JGVFFNPUSA-N 0 0 164.208 1.892 10 0 ADAERN Cc1noc([C@H]2CC[C@H](C)O2)n1 306363966 169003580 /nfs/dbraw/zinc/00/35/80/169003580.db2.gz AEZYTJDCXGNMBH-CAHLUQPWSA-N 0 0 168.196 1.618 10 0 ADAERN Cc1noc([C@]2(C)CCCO2)n1 307310156 169003607 /nfs/dbraw/zinc/00/36/07/169003607.db2.gz FOQHGLMXRIGLJY-QMMMGPOBSA-N 0 0 168.196 1.404 10 0 ADAERN Cc1noc2c(NN)cc(Cl)nc12 75600958 169003613 /nfs/dbraw/zinc/00/36/13/169003613.db2.gz XDJXFNSPRLPAPZ-UHFFFAOYSA-N 0 0 198.613 1.470 10 0 ADAERN Cc1noc2c(=O)ccccc12 39113092 169003663 /nfs/dbraw/zinc/00/36/63/169003663.db2.gz LWANMFZDCCIVHI-UHFFFAOYSA-N 0 0 161.160 1.496 10 0 ADAERN Cc1noc([C@]2(C)C[C@@H]2F)n1 335276192 169003687 /nfs/dbraw/zinc/00/36/87/169003687.db2.gz HZNIRYGVJZBEJI-CAHLUQPWSA-N 0 0 156.160 1.378 10 0 ADAERN Cc1noc2nc[nH]c(=S)c12 124157 169003700 /nfs/dbraw/zinc/00/37/00/169003700.db2.gz VBBCIBYTNGQINZ-UHFFFAOYSA-N 0 0 167.193 1.215 10 0 ADAERN Cc1noc([C@@]2(C)CCCO2)n1 307310155 169003755 /nfs/dbraw/zinc/00/37/55/169003755.db2.gz FOQHGLMXRIGLJY-MRVPVSSYSA-N 0 0 168.196 1.404 10 0 ADAERN Cc1noc([C@@H]2CCOC[C@H]2C)n1 307104313 169003812 /nfs/dbraw/zinc/00/38/12/169003812.db2.gz BCMPQFPUNMAAIX-HTRCEHHLSA-N 0 0 182.223 1.518 10 0 ADAERN Cc1noc2c(Cl)nnc(N)c12 34101558 169003923 /nfs/dbraw/zinc/00/39/23/169003923.db2.gz VFACOENGEUCHGR-UHFFFAOYSA-N 0 0 184.586 1.162 10 0 ADAERN Cc1noc([C@H]2C[C@H]2C2CC2)n1 307154366 169003948 /nfs/dbraw/zinc/00/39/48/169003948.db2.gz CZHBWPYCBWPKKR-YUMQZZPRSA-N 0 0 164.208 1.892 10 0 ADAERN Cc1noc2nsc(N)c12 34469664 169003976 /nfs/dbraw/zinc/00/39/76/169003976.db2.gz KQMIMMANZSNBGL-UHFFFAOYSA-N 0 0 155.182 1.175 10 0 ADAERN Cc1noc2c1C=C[C@H](C)N2 39112816 169004030 /nfs/dbraw/zinc/00/40/30/169004030.db2.gz VIBFRBPGZXPHGY-YFKPBYRVSA-N 0 0 150.181 1.810 10 0 ADAERN Cc1nsc(N2C[C@@H]3CCC[C@H]32)n1 306241661 169004159 /nfs/dbraw/zinc/00/41/59/169004159.db2.gz LLQCWZLSKCATFE-JGVFFNPUSA-N 0 0 195.291 1.835 10 0 ADAERN Cc1nsc(N(C)CC2CC2)n1 306271045 169004182 /nfs/dbraw/zinc/00/41/82/169004182.db2.gz RCWIBSVGPZALQC-UHFFFAOYSA-N 0 0 183.280 1.693 10 0 ADAERN Cc1nonc1NCC(C)C 75825619 169004223 /nfs/dbraw/zinc/00/42/23/169004223.db2.gz JCPYCMOJMMJQMM-UHFFFAOYSA-N 0 0 155.201 1.446 10 0 ADAERN Cc1nsc(N2[C@H](C)C[C@H]2C)n1 307712207 169004406 /nfs/dbraw/zinc/00/44/06/169004406.db2.gz WGXKKBPTCRBUSW-PHDIDXHHSA-N 0 0 183.280 1.834 10 0 ADAERN Cc1nsc(N2C[C@H]3CCC[C@@H]32)n1 306241662 169004559 /nfs/dbraw/zinc/00/45/59/169004559.db2.gz LLQCWZLSKCATFE-SFYZADRCSA-N 0 0 195.291 1.835 10 0 ADAERN Cc1nsc(N2[C@@H](C)C[C@@H]2C)n1 307712208 169004578 /nfs/dbraw/zinc/00/45/78/169004578.db2.gz WGXKKBPTCRBUSW-WDSKDSINSA-N 0 0 183.280 1.834 10 0 ADAERN Cc1nsc(N2C[C@H]3CCC[C@H]32)n1 306241659 169004686 /nfs/dbraw/zinc/00/46/86/169004686.db2.gz LLQCWZLSKCATFE-HTQZYQBOSA-N 0 0 195.291 1.835 10 0 ADAERN Cc1nsc(N2CCC23CCC3)n1 306783350 169004716 /nfs/dbraw/zinc/00/47/16/169004716.db2.gz GMVZATFYUULHCD-UHFFFAOYSA-N 0 0 195.291 1.979 10 0 ADAERN Cc1nocc1CN1CCCOCC1 334322800 169004724 /nfs/dbraw/zinc/00/47/24/169004724.db2.gz JDJCOTXAOOUHAJ-UHFFFAOYSA-N 0 0 196.250 1.205 10 0 ADAERN Cc1nonc1CNc1ccccc1 26439272 169004804 /nfs/dbraw/zinc/00/48/04/169004804.db2.gz XBSQFJRDBDMMBK-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1nonc1Cn1cccc1 38844111 169004823 /nfs/dbraw/zinc/00/48/23/169004823.db2.gz KXWMRMJMPPIJNP-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN Cc1nsc(N2CC(C)C2)n1 306179377 169004882 /nfs/dbraw/zinc/00/48/82/169004882.db2.gz FDHQRZBKTQNOOX-UHFFFAOYSA-N 0 0 169.253 1.303 10 0 ADAERN Cc1nsc(NCCF)n1 306727511 169004913 /nfs/dbraw/zinc/00/49/13/169004913.db2.gz AYSLARFWSIGWBN-UHFFFAOYSA-N 0 0 161.205 1.228 10 0 ADAERN Cc1nonc1NCc1ccccc1 75824811 169005041 /nfs/dbraw/zinc/00/50/41/169005041.db2.gz KZOFUQHTSKHIIN-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1nocc1CNc1cnn(C)c1 306938069 169005131 /nfs/dbraw/zinc/00/51/31/169005131.db2.gz JKBQCMKCBDXYMV-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN Cc1nsc(N2[C@@H](C)C[C@H]2C)n1 307712206 169005195 /nfs/dbraw/zinc/00/51/95/169005195.db2.gz WGXKKBPTCRBUSW-OLQVQODUSA-N 0 0 183.280 1.834 10 0 ADAERN Cc1nsc(N2CC(F)C2)n1 306470511 169005207 /nfs/dbraw/zinc/00/52/07/169005207.db2.gz XLXWQCASNMDCDF-UHFFFAOYSA-N 0 0 173.216 1.005 10 0 ADAERN Cc1nocc1CN1CC[C@H](F)C1 335406723 169005367 /nfs/dbraw/zinc/00/53/67/169005367.db2.gz NVUITXUCMKHKFY-VIFPVBQESA-N 0 0 184.214 1.527 10 0 ADAERN Cc1nsc(N2C[C@@H]3CCC[C@@H]32)n1 306241664 169005378 /nfs/dbraw/zinc/00/53/78/169005378.db2.gz LLQCWZLSKCATFE-YUMQZZPRSA-N 0 0 195.291 1.835 10 0 ADAERN Cc1nocc1CN1CC(F)C1 335728679 169005391 /nfs/dbraw/zinc/00/53/91/169005391.db2.gz PZGBWPFWQQALMJ-UHFFFAOYSA-N 0 0 170.187 1.137 10 0 ADAERN Cc1nocc1CN1CCSCC1 334279475 169005465 /nfs/dbraw/zinc/00/54/65/169005465.db2.gz VJKATSUPUIMANM-UHFFFAOYSA-N 0 0 198.291 1.532 10 0 ADAERN Cc1nocc1CN1CCOC[C@@H]1C 336213812 169005554 /nfs/dbraw/zinc/00/55/54/169005554.db2.gz LFFYVTUMFOPFQM-QMMMGPOBSA-N 0 0 196.250 1.204 10 0 ADAERN Cc1nsc(NC(=O)C2=CCC2)n1 306291932 169005850 /nfs/dbraw/zinc/00/58/50/169005850.db2.gz ROLDDHMXUPNMIO-UHFFFAOYSA-N 0 0 195.247 1.505 10 0 ADAERN Cc1nsc(-c2cccnc2)n1 34361491 169005890 /nfs/dbraw/zinc/00/58/90/169005890.db2.gz PLRFDKKPAQZTFT-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN Cc1nocc1CNc1ccccn1 306519099 169006011 /nfs/dbraw/zinc/00/60/11/169006011.db2.gz CIBNXQWSTAOCGL-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1nonc1-n1cccc1 38844099 169006025 /nfs/dbraw/zinc/00/60/25/169006025.db2.gz KUWAURKVPBPJJZ-UHFFFAOYSA-N 0 0 149.153 1.169 10 0 ADAERN Cc1nocc1CNc1cccnc1 306499843 169006045 /nfs/dbraw/zinc/00/60/45/169006045.db2.gz WVPCRMXDTSOLLG-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1nonc1NC(C)C 75825529 169006066 /nfs/dbraw/zinc/00/60/66/169006066.db2.gz KLWDTQMLXWQQNB-UHFFFAOYSA-N 0 0 141.174 1.198 10 0 ADAERN Cc1nsc2ccncc12 34617713 169006281 /nfs/dbraw/zinc/00/62/81/169006281.db2.gz QDDWKLMKTMWXOH-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN Cc1nsc2c1NCCN2 82406607 169006309 /nfs/dbraw/zinc/00/63/09/169006309.db2.gz ALOJHWJBNXNNCH-UHFFFAOYSA-N 0 0 155.226 1.289 10 0 ADAERN Cc1oc(C(C)C)nc1CCO 11585297 169006348 /nfs/dbraw/zinc/00/63/48/169006348.db2.gz CPHHEGRFEJNSBR-UHFFFAOYSA-N 0 0 169.224 1.641 10 0 ADAERN Cc1nsc(Sc2ncco2)n1 306278648 169006478 /nfs/dbraw/zinc/00/64/78/169006478.db2.gz GRLKDLZFDNKTOP-UHFFFAOYSA-N 0 0 199.260 1.986 10 0 ADAERN Cc1oc(=O)c(C)nc1Cl 38363008 169006642 /nfs/dbraw/zinc/00/66/42/169006642.db2.gz AXUPIKYMSRDSNK-UHFFFAOYSA-N 0 0 159.572 1.305 10 0 ADAERN Cc1oc(C2CC2)[n+]([O-])c1C 39059445 169006670 /nfs/dbraw/zinc/00/66/70/169006670.db2.gz KUKMXQFEDYUGBZ-UHFFFAOYSA-N 0 0 153.181 1.407 10 0 ADAERN Cc1oc(=O)oc1C(C)(C)C 118037732 169006707 /nfs/dbraw/zinc/00/67/07/169006707.db2.gz JRWPVOZCMZLTMF-UHFFFAOYSA-N 0 0 156.181 1.839 10 0 ADAERN Cc1nscc1C(=O)N[C@H]1C[C@H]1C 307752685 169006874 /nfs/dbraw/zinc/00/68/74/169006874.db2.gz SHHWKNKYXSYSEK-XRGYYRRGSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1nsc2cccnc12 36458627 169006953 /nfs/dbraw/zinc/00/69/53/169006953.db2.gz SKHRMOOEQZIWNU-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN Cc1oc(C2CC2)nc1CCO 11585300 169007049 /nfs/dbraw/zinc/00/70/49/169007049.db2.gz HNENYNMZYCETFH-UHFFFAOYSA-N 0 0 167.208 1.395 10 0 ADAERN Cc1oc(=O)c2ccccc2c1C=O 32223189 169007138 /nfs/dbraw/zinc/00/71/38/169007138.db2.gz GXMYIEWILFSDKH-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN Cc1oc(=O)[nH]c1-c1ccccc1 39205407 169007364 /nfs/dbraw/zinc/00/73/64/169007364.db2.gz AMZXKRFAPTXHAM-UHFFFAOYSA-N 0 0 175.187 1.943 10 0 ADAERN Cc1nscc1C(=O)N[C@@H]1C[C@H]1C 306682700 169007372 /nfs/dbraw/zinc/00/73/72/169007372.db2.gz SHHWKNKYXSYSEK-SVGQVSJJSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1oc(C)c2c1COC2=O 104836243 169007410 /nfs/dbraw/zinc/00/74/10/169007410.db2.gz GRUHAYNAVKSLBR-UHFFFAOYSA-N 0 0 152.149 1.567 10 0 ADAERN Cc1oc(C(=O)[O-])cc1C[NH+](C)C 40542636 169007493 /nfs/dbraw/zinc/00/74/93/169007493.db2.gz JXDCQYAZSGQTMY-UHFFFAOYSA-N 0 0 183.207 1.348 10 0 ADAERN Cc1nsc2nc(N)nc(C)c12 82396478 169007551 /nfs/dbraw/zinc/00/75/51/169007551.db2.gz FEBYTJKXSAMKAJ-UHFFFAOYSA-N 0 0 180.236 1.285 10 0 ADAERN Cc1nscc1C(=O)N1CCCO1 307381003 169007604 /nfs/dbraw/zinc/00/76/04/169007604.db2.gz GFIFRGXRTYMZEB-UHFFFAOYSA-N 0 0 198.247 1.229 10 0 ADAERN Cc1nsc2ncc(N)cc12 82403428 169007680 /nfs/dbraw/zinc/00/76/80/169007680.db2.gz OEZSUOBQSVAKRP-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN Cc1[nH]sc2ncnc1-2 27872356 169007791 /nfs/dbraw/zinc/00/77/91/169007791.db2.gz WNDLGGUABLUAGM-UHFFFAOYSA-N 0 0 139.183 1.328 10 0 ADAERN Cc1oc(C(C)(C)C)nc1CCO 11585308 169007844 /nfs/dbraw/zinc/00/78/44/169007844.db2.gz TYRNAYJNLFWRQX-UHFFFAOYSA-N 0 0 183.251 1.815 10 0 ADAERN Cc1nscc1C(=O)N1CC(C)C1 307688435 169007973 /nfs/dbraw/zinc/00/79/73/169007973.db2.gz FKVLCRYOEHXCTI-UHFFFAOYSA-N 0 0 196.275 1.543 10 0 ADAERN Cc1oc(C=O)cc1F 82411252 169008229 /nfs/dbraw/zinc/00/82/29/169008229.db2.gz MTJGDAPJAMDPSF-UHFFFAOYSA-N 0 0 128.102 1.540 10 0 ADAERN Cc1oc(-c2ccco2)nc1CCO 11585309 169008255 /nfs/dbraw/zinc/00/82/55/169008255.db2.gz PGXWCHUDWJGFDB-UHFFFAOYSA-N 0 0 193.202 1.778 10 0 ADAERN Cc1nsc2cnccc12 34621697 169008261 /nfs/dbraw/zinc/00/82/61/169008261.db2.gz LDXHAJKQPBLYGK-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN Cc1nscc1C(=O)N[C@@H]1C[C@@H]1C 307752686 169008281 /nfs/dbraw/zinc/00/82/81/169008281.db2.gz SHHWKNKYXSYSEK-YLWLKBPMSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1oc(C2CC2)nc1C=O 205362207 169008292 /nfs/dbraw/zinc/00/82/92/169008292.db2.gz ZNOQFTYFUVKTAE-UHFFFAOYSA-N 0 0 151.165 1.673 10 0 ADAERN Cc1oc(C2CCC2)nc1CCO 62398200 169008306 /nfs/dbraw/zinc/00/83/06/169008306.db2.gz DEJFJXCQQJRKOL-UHFFFAOYSA-N 0 0 181.235 1.785 10 0 ADAERN Cc1oc(C=O)c(C)c1N 82410551 169008329 /nfs/dbraw/zinc/00/83/29/169008329.db2.gz QVBKTBXAZBICJX-UHFFFAOYSA-N 0 0 139.154 1.291 10 0 ADAERN Cc1oc(=O)cc2c1CCCC2 136643350 169008358 /nfs/dbraw/zinc/00/83/58/169008358.db2.gz BPEIFXWBVOGXFD-UHFFFAOYSA-N 0 0 164.204 1.827 10 0 ADAERN Cc1oc(C2CC2)nc1C(=O)N(C)C 334147525 169008387 /nfs/dbraw/zinc/00/83/87/169008387.db2.gz DUCNWSMNHHZNEM-UHFFFAOYSA-N 0 0 194.234 1.562 10 0 ADAERN Cc1nscc1C(=O)N[C@H]1C[C@@H]1C 307752684 169008389 /nfs/dbraw/zinc/00/83/89/169008389.db2.gz SHHWKNKYXSYSEK-XNCJUZBTSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1oc2ccccc2c1C(N)=O 117527479 169008566 /nfs/dbraw/zinc/00/85/66/169008566.db2.gz KDEUKQPCAYEFDX-UHFFFAOYSA-N 0 0 175.187 1.840 10 0 ADAERN Cc1oc(N)nc1C(C)C 50266249 169008606 /nfs/dbraw/zinc/00/86/06/169008606.db2.gz BMFMGCDDKGVRTK-UHFFFAOYSA-N 0 0 140.186 1.689 10 0 ADAERN Cc1occc(=O)c1CC=O 100236229 169008632 /nfs/dbraw/zinc/00/86/32/169008632.db2.gz AFMHCDNELHMGHI-DUXPYHPUSA-N 0 0 152.149 1.477 10 0 in-vitro ADAERN Cc1oc2c(c1C=O)CCC2 82408465 169008750 /nfs/dbraw/zinc/00/87/50/169008750.db2.gz ZYLWUDBWJQMNJX-UHFFFAOYSA-N 0 0 150.177 1.889 10 0 ADAERN Cc1oc2cccc(N)c2c(=O)c1C 105599184 169008802 /nfs/dbraw/zinc/00/88/02/169008802.db2.gz ZQVNVFSHADVINE-UHFFFAOYSA-N 0 0 189.214 1.992 10 0 ADAERN Cc1occc(=O)c1C 33822629 169008816 /nfs/dbraw/zinc/00/88/16/169008816.db2.gz XXMXPYZVEFTXCQ-UHFFFAOYSA-N 0 0 124.139 1.257 10 0 ADAERN Cc1occc(=O)c1CC=O 100206398 169008829 /nfs/dbraw/zinc/00/88/29/169008829.db2.gz AFMHCDNELHMGHI-RQOWECAXSA-N 0 0 152.149 1.477 10 0 ADAERN Cc1occc1C(=O)Cc1ncc[nH]1 35369698 169008834 /nfs/dbraw/zinc/00/88/34/169008834.db2.gz XFWJHWGWVSZBOS-UHFFFAOYSA-N 0 0 190.202 1.737 10 0 ADAERN Cc1oc(CN)nc1-c1ccn(C)c1 71505737 169008922 /nfs/dbraw/zinc/00/89/22/169008922.db2.gz GXCQYAMIQQORQL-UHFFFAOYSA-N 0 0 191.234 1.447 10 0 ADAERN Cc1occc1-c1nnc(N)s1 19874325 169009114 /nfs/dbraw/zinc/00/91/14/169009114.db2.gz WBMLDDWTMAJCAE-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1oc(CN)nc1-c1cc[nH]c1 71497185 169009122 /nfs/dbraw/zinc/00/91/22/169009122.db2.gz MOQBMKAELZIGCV-UHFFFAOYSA-N 0 0 177.207 1.437 10 0 ADAERN Cc1oc(CN)nc1C(C)C 19726751 169009192 /nfs/dbraw/zinc/00/91/92/169009192.db2.gz FWEDLXSTYKPLPK-UHFFFAOYSA-N 0 0 154.213 1.565 10 0 ADAERN Cc1occ(C=O)c1F 82411253 169009219 /nfs/dbraw/zinc/00/92/19/169009219.db2.gz MOWBTWIRDNDWSY-UHFFFAOYSA-N 0 0 128.102 1.540 10 0 ADAERN Cc1oc([C@H]([NH3+])C(C)C)nc1C(=O)[O-] 75854430 169009236 /nfs/dbraw/zinc/00/92/36/169009236.db2.gz INTUKMRCJXALRM-ZCFIWIBFSA-N 0 0 198.222 1.337 10 0 ADAERN Cc1oc2ccccc2c(=O)c1C=O 32302738 169009253 /nfs/dbraw/zinc/00/92/53/169009253.db2.gz LRUKUULSSOGMOR-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN Cc1oc(N)nc1-c1ccco1 54106080 169009324 /nfs/dbraw/zinc/00/93/24/169009324.db2.gz KXKNIOVYKVJTPN-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cc1oc([C@H]2CCC[NH2+]2)nc1C(=O)[O-] 75868514 169009357 /nfs/dbraw/zinc/00/93/57/169009357.db2.gz GPBXBLPFKGDORX-ZCFIWIBFSA-N 0 0 196.206 1.106 10 0 ADAERN Cc1occc1-c1nc(N(C)C)no1 336023351 169009368 /nfs/dbraw/zinc/00/93/68/169009368.db2.gz FELXOQLAYSLDOJ-UHFFFAOYSA-N 0 0 193.206 1.704 10 0 ADAERN Cc1oc2ccccc2c(=O)c1N 39119559 169009384 /nfs/dbraw/zinc/00/93/84/169009384.db2.gz NGQCCVZGZZDMNE-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN Cc1oc2c(O)cccc2c(=O)c1O 75580464 169009433 /nfs/dbraw/zinc/00/94/33/169009433.db2.gz UFCJMFWVZXTSMX-UHFFFAOYSA-N 0 0 192.170 1.513 10 0 ADAERN Cc1occc1-c1nnc([C@H](C)N)o1 50284103 169009466 /nfs/dbraw/zinc/00/94/66/169009466.db2.gz YMCOOIWBOBWQFE-YFKPBYRVSA-N 0 0 193.206 1.658 10 0 ADAERN Cc1oc([C@H]2CCCO2)nc1CCO 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169013360 /nfs/dbraw/zinc/01/33/60/169013360.db2.gz VTNYBKNHZBXFTA-SSDOTTSWSA-N 0 0 182.223 1.503 10 0 ADAERN Cc1onc(N)c1-c1ccccn1 82529330 169013403 /nfs/dbraw/zinc/01/34/03/169013403.db2.gz JWWPSUDPFHLLRO-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1o[n-]c(=O)c1[C@@H]1CCCC[NH2+]1 82395326 169013413 /nfs/dbraw/zinc/01/34/13/169013413.db2.gz VTNYBKNHZBXFTA-ZETCQYMHSA-N 0 0 182.223 1.503 10 0 ADAERN Cc1onc(-c2cccnc2)c1CO 58521183 169013441 /nfs/dbraw/zinc/01/34/41/169013441.db2.gz UEKXAHVTNBOQHM-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1oncc1C(=O)N1CCCC1 34088540 169013456 /nfs/dbraw/zinc/01/34/56/169013456.db2.gz ZIUNFOAKVJPOOH-UHFFFAOYSA-N 0 0 180.207 1.219 10 0 ADAERN Cc1ocnc1C(=O)NC[C@@H]1C[C@H]1C 334217382 169013483 /nfs/dbraw/zinc/01/34/83/169013483.db2.gz SEBAXXSSZJZCCU-SVRRBLITSA-N 0 0 194.234 1.369 10 0 ADAERN Cc1ocnc1C(=O)NC[C@H]1C[C@@H]1C 334217381 169013493 /nfs/dbraw/zinc/01/34/93/169013493.db2.gz SEBAXXSSZJZCCU-POYBYMJQSA-N 0 0 194.234 1.369 10 0 ADAERN 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/nfs/dbraw/zinc/01/58/52/169015852.db2.gz BIMSXUHZQMAYKA-UHFFFAOYSA-N 0 0 167.237 1.595 10 0 ADAERN Cc1sc(N)c(-c2ncno2)c1C 104836651 169015858 /nfs/dbraw/zinc/01/58/58/169015858.db2.gz YTZNKTCGILMXEJ-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1sc2ccccc2[n+]1[O-] 14590515 169015931 /nfs/dbraw/zinc/01/59/31/169015931.db2.gz INPKNILVJBVTCN-UHFFFAOYSA-N 0 0 165.217 1.843 10 0 ADAERN Cc1s[n-]c(=O)c1[C@@H]1CCCC[NH2+]1 82384288 169016013 /nfs/dbraw/zinc/01/60/13/169016013.db2.gz VTZXCWRMURQHTP-ZETCQYMHSA-N 0 0 198.291 1.972 10 0 ADAERN Cl/C=C/CONCl 33985438 169016244 /nfs/dbraw/zinc/01/62/44/169016244.db2.gz HTZKADISVSIMGP-OWOJBTEDSA-N 0 0 141.985 1.414 10 0 ADAERN CC1SC=NC1=O 39134798 169016490 /nfs/dbraw/zinc/01/64/90/169016490.db2.gz QTKIDTZHTGHFNI-UHFFFAOYSA-N 0 0 115.157 1.157 10 0 ADAERN Cl/C=C/Cn1cccn1 41367198 169016589 /nfs/dbraw/zinc/01/65/89/169016589.db2.gz LSVRMSWTQGORHG-HNQUOIGGSA-N 0 0 142.589 1.636 10 0 ADAERN Cc1s[n-]c(=O)c1[C@H]1CCCC[NH2+]1 82384289 169016627 /nfs/dbraw/zinc/01/66/27/169016627.db2.gz VTZXCWRMURQHTP-SSDOTTSWSA-N 0 0 198.291 1.972 10 0 ADAERN Cc1snnc1Br 82397627 169016826 /nfs/dbraw/zinc/01/68/26/169016826.db2.gz IIUTUGDALRNJSZ-UHFFFAOYSA-N 0 0 179.042 1.609 10 0 ADAERN Cc1snc(C=O)c1C 82409996 169016834 /nfs/dbraw/zinc/01/68/34/169016834.db2.gz STGQPLGMPDANNG-UHFFFAOYSA-N 0 0 141.195 1.572 10 0 ADAERN Cc1sncc1N 82835592 169016838 /nfs/dbraw/zinc/01/68/38/169016838.db2.gz XFCZYYWMZRFIRS-UHFFFAOYSA-N 0 0 114.173 1.034 10 0 ADAERN Cc1snc(N)c1C 39207225 169016878 /nfs/dbraw/zinc/01/68/78/169016878.db2.gz MRGRWPJYUOXSQQ-UHFFFAOYSA-N 0 0 128.200 1.342 10 0 ADAERN Clc1ccc2cc[nH]c2n1 14984897 169017066 /nfs/dbraw/zinc/01/70/66/169017066.db2.gz AMRSBJJBWOWRDK-RXMQYKEDSA-N 0 0 152.584 1.736 10 0 ADAERN ClC1=CNON1Cc1ccccc1 22000596 169017137 /nfs/dbraw/zinc/01/71/37/169017137.db2.gz HTDOBMQJRIIOOK-UHFFFAOYSA-N 0 0 196.637 1.976 10 0 ADAERN Clc1ccc2cc[nH]c2n1 100124868 169017528 /nfs/dbraw/zinc/01/75/28/169017528.db2.gz AMRSBJJBWOWRDK-YFKPBYRVSA-N 0 0 152.584 1.736 10 0 ADAERN ClC1=COCC1 36466043 169017920 /nfs/dbraw/zinc/01/79/20/169017920.db2.gz DVIRIUUTHMJKRA-UHFFFAOYSA-N 0 0 104.536 1.487 10 0 ADAERN Clc1ncc2[nH]c3ccccc3n12 95921961 169018179 /nfs/dbraw/zinc/01/81/79/169018179.db2.gz BZKCQQOFWRJQTK-UHFFFAOYSA-N 0 0 191.621 1.993 10 0 ADAERN ClC=C1OCCO1 118348816 169018299 /nfs/dbraw/zinc/01/82/99/169018299.db2.gz RBVAEWBJXKQLIM-UHFFFAOYSA-N 0 0 120.535 1.071 10 0 ADAERN ClN(Cl)CCc1ncc[nH]1 95777175 169020063 /nfs/dbraw/zinc/02/00/63/169020063.db2.gz JXBUDBSSNMACQI-UHFFFAOYSA-N 0 0 180.038 1.562 10 0 ADAERN ClN1CCCCC1 2038843 169020108 /nfs/dbraw/zinc/02/01/08/169020108.db2.gz CIQJWKNJDQKPPO-UHFFFAOYSA-N 0 0 119.595 1.626 10 0 ADAERN ClN1CCCC1 39281983 169020486 /nfs/dbraw/zinc/02/04/86/169020486.db2.gz RNSGBYUFHBXKPU-UHFFFAOYSA-N 0 0 105.568 1.236 10 0 ADAERN ClNc1ccccn1 39116737 169020745 /nfs/dbraw/zinc/02/07/45/169020745.db2.gz BVPSSZAVUQHOML-UHFFFAOYSA-N 0 0 128.562 1.647 10 0 ADAERN ClN(Cl)Cl 261499688 169020874 /nfs/dbraw/zinc/02/08/74/169020874.db2.gz QEHKBHWEUPXBCW-UHFFFAOYSA-N 0 0 120.366 1.750 10 0 endogenous,in-man ADAERN Clc1nccc2nc[nH]c12 100722143 169021228 /nfs/dbraw/zinc/02/12/28/169021228.db2.gz OBOSHLXHEOYIBU-UHFFFAOYSA-N 0 0 153.572 1.563 10 0 ADAERN Clc1cc(-c2c[nH]nn2)ccn1 95560870 169021280 /nfs/dbraw/zinc/02/12/80/169021280.db2.gz DUAFYICEECKVTE-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN Clc1cc(-c2cncnc2)ncn1 38579934 169021475 /nfs/dbraw/zinc/02/14/75/169021475.db2.gz AUYUZVQBFFFZTG-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN Clc1ccc(-n2cnnc2)nc1 40538052 169021554 /nfs/dbraw/zinc/02/15/54/169021554.db2.gz CQRPFOFCNIWRFB-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Clc1cc(Cn2cccn2)ncn1 26510567 169021568 /nfs/dbraw/zinc/02/15/68/169021568.db2.gz UMVQSIKUYMOGNQ-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN Clc1cc2c(cn1)NCCN2 299888952 169021576 /nfs/dbraw/zinc/02/15/76/169021576.db2.gz BACBLCLXOFZYPK-UHFFFAOYSA-N 0 0 169.615 1.572 10 0 ADAERN Clc1cc2nnc(C3CC3)n2cn1 36903873 169021599 /nfs/dbraw/zinc/02/15/99/169021599.db2.gz UJSYBMOOJWJGBB-UHFFFAOYSA-N 0 0 194.625 1.655 10 0 ADAERN Clc1ccc(-n2cnnc2)cn1 142548124 169021718 /nfs/dbraw/zinc/02/17/18/169021718.db2.gz YSCINBVHNZRUIL-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Clc1cc[nH]c1 39311253 169021750 /nfs/dbraw/zinc/02/17/50/169021750.db2.gz UUUOHRSINXUJKX-UHFFFAOYSA-N 0 0 101.536 1.668 10 0 in-vitro ADAERN Clc1c[nH]c(-c2ncc[nH]2)n1 26990652 169021792 /nfs/dbraw/zinc/02/17/92/169021792.db2.gz ICJOSBMDVYFAKO-UHFFFAOYSA-N 0 0 168.587 1.453 10 0 ADAERN Clc1cc([C@H]2COCCN2)ccn1 83282950 169021871 /nfs/dbraw/zinc/02/18/71/169021871.db2.gz JCFZGCPMKHXRFE-MRVPVSSYSA-N 0 0 198.653 1.396 10 0 ADAERN Clc1ccc(-c2cc[nH]n2)nn1 66347038 169021925 /nfs/dbraw/zinc/02/19/25/169021925.db2.gz OMONCCHQXFHERX-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN Clc1cc(Cn2ccnc2)ncn1 26510600 169022106 /nfs/dbraw/zinc/02/21/06/169022106.db2.gz JSKMERJTAVXXJT-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN Clc1cc(C2OCCO2)ccn1 95762290 169022158 /nfs/dbraw/zinc/02/21/58/169022158.db2.gz ASYOYYQPZNBBMH-UHFFFAOYSA-N 0 0 185.610 1.780 10 0 ADAERN Clc1[nH]cnc1N1CCCC1 39133030 169022183 /nfs/dbraw/zinc/02/21/83/169022183.db2.gz GESVUBFGQIMRGQ-UHFFFAOYSA-N 0 0 171.631 1.663 10 0 ADAERN Clc1c[nH]c2nccnc12 299890190 169022353 /nfs/dbraw/zinc/02/23/53/169022353.db2.gz VOYKKAJVHCWNSL-UHFFFAOYSA-N 0 0 153.572 1.611 10 0 ADAERN Clc1cc2ncnc-2[n-][nH+]1 136288539 169022355 /nfs/dbraw/zinc/02/23/55/169022355.db2.gz XWNKHKFVVGKLJS-UHFFFAOYSA-N 0 0 154.560 1.006 10 0 ADAERN Clc1cc([C@@H]2COCCN2)ccn1 83282949 169022453 /nfs/dbraw/zinc/02/24/53/169022453.db2.gz JCFZGCPMKHXRFE-QMMMGPOBSA-N 0 0 198.653 1.396 10 0 ADAERN Clc1cc(CN2CCCC2)ncn1 26510553 169022491 /nfs/dbraw/zinc/02/24/91/169022491.db2.gz HWNLGZYFUNUKQX-UHFFFAOYSA-N 0 0 197.669 1.726 10 0 ADAERN Clc1ccc(-n2cncn2)nc1 82615669 169022528 /nfs/dbraw/zinc/02/25/28/169022528.db2.gz GGMUZJFUGRDRHV-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Clc1ccc(OC2CC2)nn1 95775834 169023014 /nfs/dbraw/zinc/02/30/14/169023014.db2.gz JYQMAYFDEITSPE-UHFFFAOYSA-N 0 0 170.599 1.671 10 0 ADAERN Clc1ccc(CNC2COC2)nc1 306723858 169023063 /nfs/dbraw/zinc/02/30/63/169023063.db2.gz HPVOSVCGYLJOKF-UHFFFAOYSA-N 0 0 198.653 1.223 10 0 ADAERN Clc1ccc([C@@H]2COCCN2)o1 83277015 169023200 /nfs/dbraw/zinc/02/32/00/169023200.db2.gz UJNIPXAULRNGEA-LURJTMIESA-N 0 0 187.626 1.594 10 0 ADAERN Clc1ccc(OCC2CC2)nn1 19870783 169023243 /nfs/dbraw/zinc/02/32/43/169023243.db2.gz WJSRYIFIFQYZOV-UHFFFAOYSA-N 0 0 184.626 1.919 10 0 ADAERN Clc1ccc2c(c1)CONC2 2015791 169023318 /nfs/dbraw/zinc/02/33/18/169023318.db2.gz GQLHUUBKEQARIM-UHFFFAOYSA-N 0 0 169.611 1.875 10 0 ADAERN Clc1ccc([C@H]2CO2)cn1 82038077 169023396 /nfs/dbraw/zinc/02/33/96/169023396.db2.gz ZZNUVWNPOYKIJD-ZCFIWIBFSA-N 0 0 155.584 1.806 10 0 ADAERN Clc1ccc2ncoc2n1 95764351 169023546 /nfs/dbraw/zinc/02/35/46/169023546.db2.gz YVRMUCFWSFGAHB-UHFFFAOYSA-N 0 0 154.556 1.876 10 0 ADAERN Clc1ccc([C@H]2C[NH2+]CO2)cc1 71499456 169023687 /nfs/dbraw/zinc/02/36/87/169023687.db2.gz HWBSNUMLRFRGEZ-SECBINFHSA-N 0 0 183.638 1.958 10 0 ADAERN Clc1ccc2cccn2n1 35577769 169023772 /nfs/dbraw/zinc/02/37/72/169023772.db2.gz ICEFEPLTOYVQAQ-UHFFFAOYSA-N 0 0 152.584 1.988 10 0 ADAERN Clc1ccc([C@@H]2CO2)cn1 82038076 169023778 /nfs/dbraw/zinc/02/37/78/169023778.db2.gz ZZNUVWNPOYKIJD-LURJTMIESA-N 0 0 155.584 1.806 10 0 ADAERN Clc1ccc2c(c1)CNOC2 2015784 169023787 /nfs/dbraw/zinc/02/37/87/169023787.db2.gz JGGHXZUTECPTAK-UHFFFAOYSA-N 0 0 169.611 1.875 10 0 ADAERN Clc1ccc(C2OCCO2)o1 34205053 169023849 /nfs/dbraw/zinc/02/38/49/169023849.db2.gz SVQITFDRKCXAED-UHFFFAOYSA-N 0 0 174.583 1.978 10 0 ADAERN Clc1ccc(NC[C@H]2CO2)cn1 40762697 169023857 /nfs/dbraw/zinc/02/38/57/169023857.db2.gz RZDMCBGRMRUOPI-ZETCQYMHSA-N 0 0 184.626 1.546 10 0 ADAERN Clc1ccc(NC[C@@H]2CO2)cn1 40762695 169023916 /nfs/dbraw/zinc/02/39/16/169023916.db2.gz RZDMCBGRMRUOPI-SSDOTTSWSA-N 0 0 184.626 1.546 10 0 ADAERN Clc1ccc([C@@H]2COCCN2)nc1 83282947 169024059 /nfs/dbraw/zinc/02/40/59/169024059.db2.gz IFJPTJOLVDWVCJ-VIFPVBQESA-N 0 0 198.653 1.396 10 0 ADAERN Clc1ccc(N2CCCN2)nc1 307503087 169024066 /nfs/dbraw/zinc/02/40/66/169024066.db2.gz OQGIBYJQOZSUAY-UHFFFAOYSA-N 0 0 183.642 1.450 10 0 ADAERN Clc1ccnc(-c2cnccn2)n1 37370153 169024376 /nfs/dbraw/zinc/02/43/76/169024376.db2.gz FRTAWABBUKPXJK-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN Clc1ccccc1[C@H]1NCCO1 49805877 169024430 /nfs/dbraw/zinc/02/44/30/169024430.db2.gz UOQYLKLVYVXKMI-VIFPVBQESA-N 0 0 183.638 1.958 10 0 ADAERN Clc1cccc(-n2cnnc2)c1 39331474 169024458 /nfs/dbraw/zinc/02/44/58/169024458.db2.gz MQEMZVLKEIBYPT-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN Clc1ccnc(-n2cccc2)n1 142406607 169024490 /nfs/dbraw/zinc/02/44/90/169024490.db2.gz UYWFOYJODVMFKG-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN Clc1cccc([C@H]2C[NH2+]CO2)c1 34514396 169024502 /nfs/dbraw/zinc/02/45/02/169024502.db2.gz WNMHKMPNNZJBTH-SECBINFHSA-N 0 0 183.638 1.958 10 0 ADAERN Clc1ccnc(-n2cccn2)n1 44116875 169024773 /nfs/dbraw/zinc/02/47/73/169024773.db2.gz IRNNDQVQROYQKY-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Clc1ccnc(-c2nnco2)c1 64033666 169025130 /nfs/dbraw/zinc/02/51/30/169025130.db2.gz JUGSHOUGSXWKBQ-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN Clc1cccc([C@@H]2COCCN2)n1 83282951 169025208 /nfs/dbraw/zinc/02/52/08/169025208.db2.gz ZSDQTQMMEVLDRE-QMMMGPOBSA-N 0 0 198.653 1.396 10 0 ADAERN Clc1cccc(-n2ccnn2)n1 164678372 169025283 /nfs/dbraw/zinc/02/52/83/169025283.db2.gz VNOKORXFSNNSSO-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Clc1ccccc1[C@@H]1NCCO1 49805876 169025372 /nfs/dbraw/zinc/02/53/72/169025372.db2.gz UOQYLKLVYVXKMI-SECBINFHSA-N 0 0 183.638 1.958 10 0 ADAERN Clc1cccc([C@H]2C[NH2+]CCO2)n1 34321331 169025531 /nfs/dbraw/zinc/02/55/31/169025531.db2.gz SCIMOCJYBGRBRA-MRVPVSSYSA-N 0 0 198.653 1.396 10 0 ADAERN Clc1ccnc(C[C@@H]2CCCO2)n1 36882186 169025596 /nfs/dbraw/zinc/02/55/96/169025596.db2.gz DIFMBFWOYFWWTK-ZETCQYMHSA-N 0 0 198.653 1.852 10 0 ADAERN Clc1ccnc(C[C@H]2CCCO2)n1 36882187 169025660 /nfs/dbraw/zinc/02/56/60/169025660.db2.gz DIFMBFWOYFWWTK-SSDOTTSWSA-N 0 0 198.653 1.852 10 0 ADAERN Clc1cccnc1-n1ccnc1 38251377 169025736 /nfs/dbraw/zinc/02/57/36/169025736.db2.gz VLGAHQIEXIVWPT-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN Clc1cccc([C@H]2[NH2+]CCO2)c1 49805879 169025800 /nfs/dbraw/zinc/02/58/00/169025800.db2.gz RYKWHBJUCYTZEQ-VIFPVBQESA-N 0 0 183.638 1.958 10 0 ADAERN Clc1cccnc1N1CCCN1 307648535 169025815 /nfs/dbraw/zinc/02/58/15/169025815.db2.gz OVMGCSWWLAWRAF-UHFFFAOYSA-N 0 0 183.642 1.450 10 0 ADAERN Clc1cnn(C[C@@H]2CCCO2)c1 335493988 169025998 /nfs/dbraw/zinc/02/59/98/169025998.db2.gz FQALPMWKXHVRTR-QMMMGPOBSA-N 0 0 186.642 1.716 10 0 ADAERN Clc1cncc2c1NCCN2 299890396 169026042 /nfs/dbraw/zinc/02/60/42/169026042.db2.gz YYDKNFOOCBJPLY-UHFFFAOYSA-N 0 0 169.615 1.572 10 0 ADAERN Clc1cn2c(n1)SCC2 5641908 169026087 /nfs/dbraw/zinc/02/60/87/169026087.db2.gz RUFNDASHPOUWCB-UHFFFAOYSA-N 0 0 160.629 1.642 10 0 ADAERN Clc1ccnc2c1OCCN2 95764348 169026144 /nfs/dbraw/zinc/02/61/44/169026144.db2.gz KGXIJWSHOIOBDB-UHFFFAOYSA-N 0 0 170.599 1.539 10 0 ADAERN Clc1cn2ncsc2n1 77254546 169026191 /nfs/dbraw/zinc/02/61/91/169026191.db2.gz LOHPNTYWOUTYHR-UHFFFAOYSA-N 0 0 159.601 1.444 10 0 ADAERN Clc1cnc2c(n1)NCC2 95774311 169026436 /nfs/dbraw/zinc/02/64/36/169026436.db2.gz MMDSCSVEBINULE-UHFFFAOYSA-N 0 0 155.588 1.098 10 0 ADAERN Clc1cnc2c(c1)OCCN2 95762238 169026438 /nfs/dbraw/zinc/02/64/38/169026438.db2.gz RJZYMMSMOCXVCS-UHFFFAOYSA-N 0 0 170.599 1.539 10 0 ADAERN Clc1cnc2[nH]ccc2c1 101787315 169026511 /nfs/dbraw/zinc/02/65/11/169026511.db2.gz YTRYRYRPJQDZOJ-UHFFFAOYSA-N 0 0 152.584 1.993 10 0 ADAERN Clc1ccnc2oncc12 82406856 169026543 /nfs/dbraw/zinc/02/65/43/169026543.db2.gz IKYSYKPDFCZSHP-UHFFFAOYSA-N 0 0 154.556 1.876 10 0 ADAERN Clc1cnc2ocnc2c1 74330530 169026572 /nfs/dbraw/zinc/02/65/72/169026572.db2.gz OPUYPVMWZSKEGC-UHFFFAOYSA-N 0 0 154.556 1.876 10 0 ADAERN Clc1ccnc([C@H]2CCOC2)n1 44122296 169026586 /nfs/dbraw/zinc/02/65/86/169026586.db2.gz RTKXLRUEBUNMHB-LURJTMIESA-N 0 0 184.626 1.634 10 0 ADAERN Clc1ccns1 59138063 169026630 /nfs/dbraw/zinc/02/66/30/169026630.db2.gz ZYXAPXCRZZMDQA-UHFFFAOYSA-N 0 0 119.576 1.797 10 0 ADAERN Clc1cnc2n1CCC2 95830441 169026644 /nfs/dbraw/zinc/02/66/44/169026644.db2.gz XESCIBBNMWTNQF-UHFFFAOYSA-N 0 0 142.589 1.483 10 0 ADAERN Clc1cnnc2ncccc12 62720823 169026670 /nfs/dbraw/zinc/02/66/70/169026670.db2.gz VVLQQEJELUOWDX-UHFFFAOYSA-N 0 0 165.583 1.678 10 0 ADAERN Clc1cnc2c(c1)COCC2 95761508 169026755 /nfs/dbraw/zinc/02/67/55/169026755.db2.gz JYICUKSZPYTITK-UHFFFAOYSA-N 0 0 169.611 1.808 10 0 ADAERN Clc1cnnc(C2CC2)n1 40542711 169026760 /nfs/dbraw/zinc/02/67/60/169026760.db2.gz XXNHLESNHZLAAK-UHFFFAOYSA-N 0 0 155.588 1.402 10 0 ADAERN Clc1ccnc([C@@H]2CCOC2)n1 44122291 169026764 /nfs/dbraw/zinc/02/67/64/169026764.db2.gz RTKXLRUEBUNMHB-ZCFIWIBFSA-N 0 0 184.626 1.634 10 0 ADAERN Clc1ccnc2c1NCCN2 299889537 169026773 /nfs/dbraw/zinc/02/67/73/169026773.db2.gz KTOACUGRIHFJKH-UHFFFAOYSA-N 0 0 169.615 1.572 10 0 ADAERN Clc1cncc(OC2CC2)n1 95775821 169026826 /nfs/dbraw/zinc/02/68/26/169026826.db2.gz VLKBNMVPOBCHFK-UHFFFAOYSA-N 0 0 170.599 1.671 10 0 ADAERN Clc1cnnc(N2CCCC2)n1 40539288 169026903 /nfs/dbraw/zinc/02/69/03/169026903.db2.gz GCLMRYWERGIZSU-UHFFFAOYSA-N 0 0 184.630 1.125 10 0 ADAERN Clc1ccnc([C@H]2COCCN2)c1 83282946 169026921 /nfs/dbraw/zinc/02/69/21/169026921.db2.gz BMUYESWNUKYPBA-SECBINFHSA-N 0 0 198.653 1.396 10 0 ADAERN Clc1cnn(C[C@H]2CCCO2)c1 306505719 169026928 /nfs/dbraw/zinc/02/69/28/169026928.db2.gz FQALPMWKXHVRTR-MRVPVSSYSA-N 0 0 186.642 1.716 10 0 ADAERN Clc1cnccc1N1CCCN1 307132513 169026963 /nfs/dbraw/zinc/02/69/63/169026963.db2.gz HUOMGDYUKZTXQW-UHFFFAOYSA-N 0 0 183.642 1.450 10 0 ADAERN Clc1cnccc1CN1CCCO1 306964629 169026990 /nfs/dbraw/zinc/02/69/90/169026990.db2.gz MNIRLALBJJLYRS-UHFFFAOYSA-N 0 0 198.653 1.872 10 0 ADAERN Clc1cocn1 95762057 169027007 /nfs/dbraw/zinc/02/70/07/169027007.db2.gz AIMLUMURKMKXLV-UHFFFAOYSA-N 0 0 103.508 1.328 10 0 ADAERN Clc1ccnc([C@@H]2COCCN2)c1 83282945 169027019 /nfs/dbraw/zinc/02/70/19/169027019.db2.gz BMUYESWNUKYPBA-VIFPVBQESA-N 0 0 198.653 1.396 10 0 ADAERN Clc1nnccc1Br 60259548 169027146 /nfs/dbraw/zinc/02/71/46/169027146.db2.gz JVPUWLVTUZXHQG-UHFFFAOYSA-N 0 0 193.431 1.893 10 0 ADAERN Clc1ncc2cnccn12 1631412 169027239 /nfs/dbraw/zinc/02/72/39/169027239.db2.gz YRDHLTCZKBTEHA-UHFFFAOYSA-N 0 0 153.572 1.383 10 0 ADAERN Clc1ncc(C2=CCOC2)cn1 118345842 169027312 /nfs/dbraw/zinc/02/73/12/169027312.db2.gz XJLCVJSXTNHZTC-UHFFFAOYSA-N 0 0 182.610 1.544 10 0 ADAERN Clc1nnnn1Cc1ccccc1 67172268 169027480 /nfs/dbraw/zinc/02/74/80/169027480.db2.gz STUMNCBWPKVUBH-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN Clc1nnsc1Cl 39088608 169027486 /nfs/dbraw/zinc/02/74/86/169027486.db2.gz CXJMDPKUGQFQOJ-UHFFFAOYSA-N 0 0 155.009 1.845 10 0 ADAERN Clc1nnc(-c2ccncc2)o1 71498957 169027499 /nfs/dbraw/zinc/02/74/99/169027499.db2.gz IVUWEYKFOMXQHI-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN Clc1nccnc1OC1CC1 95775855 169027562 /nfs/dbraw/zinc/02/75/62/169027562.db2.gz JNCSXWFTYHEQHT-UHFFFAOYSA-N 0 0 170.599 1.671 10 0 ADAERN Clc1nnc(C2CC2)o1 71495342 169027634 /nfs/dbraw/zinc/02/76/34/169027634.db2.gz INYYJODWYVEFAM-UHFFFAOYSA-N 0 0 144.561 1.600 10 0 ADAERN Clc1[n-][nH+]cc2ncnc1-2 40434636 169027688 /nfs/dbraw/zinc/02/76/88/169027688.db2.gz ZGEDULMMCNDAQS-UHFFFAOYSA-N 0 0 154.560 1.006 10 0 ADAERN Clc1nsnc1-n1cccn1 37372518 169027767 /nfs/dbraw/zinc/02/77/67/169027767.db2.gz XYNWDEQDHOOCLW-UHFFFAOYSA-N 0 0 186.627 1.377 10 0 ADAERN Clc1ncn2ccncc12 89195411 169027853 /nfs/dbraw/zinc/02/78/53/169027853.db2.gz FJMXWESUMPOGHH-UHFFFAOYSA-N 0 0 153.572 1.383 10 0 ADAERN Clc1ncnc2ncncc12 42684438 169027873 /nfs/dbraw/zinc/02/78/73/169027873.db2.gz UMHLMTGMVHGYGZ-UHFFFAOYSA-N 0 0 166.571 1.073 10 0 ADAERN Clc1ncnc2oncc12 37037703 169027917 /nfs/dbraw/zinc/02/79/17/169027917.db2.gz SGBNMHCRFQICPZ-UHFFFAOYSA-N 0 0 155.544 1.271 10 0 ADAERN Clc1nsnc1OCC1CC1 37371869 169027940 /nfs/dbraw/zinc/02/79/40/169027940.db2.gz ZVNPEGMIBFTUDB-UHFFFAOYSA-N 0 0 190.655 1.980 10 0 ADAERN Clc1ncc(Br)nn1 95642649 169027941 /nfs/dbraw/zinc/02/79/41/169027941.db2.gz IIMYSUKDSQYYER-UHFFFAOYSA-N 0 0 194.419 1.288 10 0 ADAERN Clc1ncnc2[nH]c(C3CC3)nc12 96311627 169027947 /nfs/dbraw/zinc/02/79/47/169027947.db2.gz ZZBBOCOCTZDZPF-UHFFFAOYSA-N 0 0 194.625 1.884 10 0 ADAERN Clc1nsnc1Br 34268712 169027961 /nfs/dbraw/zinc/02/79/61/169027961.db2.gz SAEGWDRMJONOHK-UHFFFAOYSA-N 0 0 199.460 1.954 10 0 ADAERN Clc1nccnc1C1=CCCOC1 115806295 169027970 /nfs/dbraw/zinc/02/79/70/169027970.db2.gz KOTOQPOZYPFKIX-UHFFFAOYSA-N 0 0 196.637 1.934 10 0 ADAERN Clc1nccc2c1NCCN2 299889766 169027975 /nfs/dbraw/zinc/02/79/75/169027975.db2.gz OJOOWQSTEMWZSR-UHFFFAOYSA-N 0 0 169.615 1.572 10 0 ADAERN Cn1/c(=N\C#N)sc2ccccc21 100287401 169027993 /nfs/dbraw/zinc/02/79/93/169027993.db2.gz NUTOSDSDBXXHIU-PKNBQFBNSA-N 0 0 189.243 1.622 10 0 ADAERN Clc1nnc(-c2ccco2)o1 71496603 169028021 /nfs/dbraw/zinc/02/80/21/169028021.db2.gz SLVWUHXXVAJUGF-UHFFFAOYSA-N 0 0 170.555 1.983 10 0 ADAERN Clc1noc(-c2ccncc2)n1 95774189 169028046 /nfs/dbraw/zinc/02/80/46/169028046.db2.gz DKMSNIJCUJNDMR-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN Clc1ncc2c(n1)OCC2 73200264 169028118 /nfs/dbraw/zinc/02/81/18/169028118.db2.gz KIUMEZSZVIEIBH-UHFFFAOYSA-N 0 0 156.572 1.065 10 0 ADAERN Clc1ncc2c(n1)NCCC2 82401207 169028177 /nfs/dbraw/zinc/02/81/77/169028177.db2.gz NYZQMPWVERVVTF-UHFFFAOYSA-N 0 0 169.615 1.488 10 0 ADAERN Clc1nccc2ncoc12 89211698 169028214 /nfs/dbraw/zinc/02/82/14/169028214.db2.gz LSZVDXAUVAARRZ-UHFFFAOYSA-N 0 0 154.556 1.876 10 0 ADAERN Clc1ncncc1C1=CCOCC1 143093685 169028253 /nfs/dbraw/zinc/02/82/53/169028253.db2.gz RCPAGYNYGURTQU-UHFFFAOYSA-N 0 0 196.637 1.934 10 0 ADAERN Clc1nc2nccnc2[nH]1 83268622 169028290 /nfs/dbraw/zinc/02/82/90/169028290.db2.gz OVBFXTADOCCRBP-UHFFFAOYSA-N 0 0 154.560 1.006 10 0 ADAERN Clc1ncc([C@H]2C=CCO2)cn1 118487298 169028335 /nfs/dbraw/zinc/02/83/35/169028335.db2.gz WBZYDGADJUXTMO-SSDOTTSWSA-N 0 0 182.610 1.758 10 0 ADAERN Clc1ncnc2nnccc12 88189362 169028339 /nfs/dbraw/zinc/02/83/39/169028339.db2.gz HHHSPUZWHBAERK-UHFFFAOYSA-N 0 0 166.571 1.073 10 0 ADAERN Clc1noc(-c2cccnc2)n1 95774184 169028341 /nfs/dbraw/zinc/02/83/41/169028341.db2.gz SGQGCDQNFUOLSQ-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN Clc1nccc(-n2cccc2)n1 142893580 169028419 /nfs/dbraw/zinc/02/84/19/169028419.db2.gz WJYMFGUHGQLNFQ-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN Clc1nccc2oncc12 95762072 169028426 /nfs/dbraw/zinc/02/84/26/169028426.db2.gz CFFCYJIENVNTTC-UHFFFAOYSA-N 0 0 154.556 1.876 10 0 ADAERN Clc1nnc(-c2cccnc2)o1 71498956 169028487 /nfs/dbraw/zinc/02/84/87/169028487.db2.gz VRNFHLPYAOIHSA-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN Clc1nsnc1NC1CC1 35232184 169028488 /nfs/dbraw/zinc/02/84/88/169028488.db2.gz JZERFNMYKSIAIB-UHFFFAOYSA-N 0 0 175.644 1.766 10 0 ADAERN Clc1nncc(-c2cc[nH]c2)n1 82529658 169028496 /nfs/dbraw/zinc/02/84/96/169028496.db2.gz FPHLDUXGXMOVBH-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN Clc1nncc(C2CC2)n1 95774423 169028502 /nfs/dbraw/zinc/02/85/02/169028502.db2.gz USEPXRQNDDBGRD-UHFFFAOYSA-N 0 0 155.588 1.402 10 0 ADAERN Clc1nccc(-c2cncnc2)n1 38580126 169028511 /nfs/dbraw/zinc/02/85/11/169028511.db2.gz JCADJUXBORNJLQ-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN Clc1ncc2ncn(C3CC3)c2n1 96311362 169028521 /nfs/dbraw/zinc/02/85/21/169028521.db2.gz BVRUKESXCZIAFY-UHFFFAOYSA-N 0 0 194.625 1.815 10 0 ADAERN Clc1ncccc1-c1nnco1 36732286 169028545 /nfs/dbraw/zinc/02/85/45/169028545.db2.gz KQKBMBDWWQWGLT-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN Clc1ncc([C@@H]2C=CCO2)cn1 118487301 169028562 /nfs/dbraw/zinc/02/85/62/169028562.db2.gz WBZYDGADJUXTMO-ZETCQYMHSA-N 0 0 182.610 1.758 10 0 ADAERN Cn1c(=O)[nH]c2c3cccnc3ccc21 22063184 169028765 /nfs/dbraw/zinc/02/87/65/169028765.db2.gz GSUQMXXXXPNYEA-UHFFFAOYSA-N 0 0 199.213 1.415 10 0 in-vitro ADAERN Cn1c(=O)ccc2cccc(N)c21 40538042 169028809 /nfs/dbraw/zinc/02/88/09/169028809.db2.gz NRIDMPSSHRPZTN-UHFFFAOYSA-N 0 0 174.203 1.121 10 0 ADAERN Cn1c(=O)[nH]c2cccc(Cl)c21 95922643 169028817 /nfs/dbraw/zinc/02/88/17/169028817.db2.gz REELGBVWCNNCRF-UHFFFAOYSA-N 0 0 182.610 1.520 10 0 ADAERN Cn1c(=O)oc2c(F)cccc21 62498545 169028860 /nfs/dbraw/zinc/02/88/60/169028860.db2.gz AQOANXBOIIKEIM-UHFFFAOYSA-N 0 0 167.139 1.271 10 0 ADAERN Cn1c(=O)cc(S)c2ccccc21 100752811 169028964 /nfs/dbraw/zinc/02/89/64/169028964.db2.gz LYMOXRMZVMMSOM-UHFFFAOYSA-N 0 0 191.255 1.827 10 0 ADAERN Cn1c(=O)oc2c(F)cc(F)cc21 62152915 169029000 /nfs/dbraw/zinc/02/90/00/169029000.db2.gz QMNUUNSQRIBZNK-UHFFFAOYSA-N 0 0 185.129 1.410 10 0 ADAERN Cn1c(=O)cc(CO)c2ccccc21 39121452 169029013 /nfs/dbraw/zinc/02/90/13/169029013.db2.gz VTYDSAOMKQENIX-UHFFFAOYSA-N 0 0 189.214 1.031 10 0 ADAERN Cn1c(=O)[nH]c2cccc(F)c21 75946253 169029138 /nfs/dbraw/zinc/02/91/38/169029138.db2.gz JAPLGVWGURKIIG-UHFFFAOYSA-N 0 0 166.155 1.006 10 0 ADAERN Cn1c(-n2cccn2)nc2ccccc21 95922685 169029207 /nfs/dbraw/zinc/02/92/07/169029207.db2.gz GEYGZAPAPPZARA-UHFFFAOYSA-N 0 0 198.229 1.759 10 0 ADAERN Cn1c(-n2ccnc2)nc2ccccc21 39188550 169029245 /nfs/dbraw/zinc/02/92/45/169029245.db2.gz IAHGMMXTFVWGTJ-UHFFFAOYSA-N 0 0 198.229 1.759 10 0 ADAERN Cn1c(=O)ccc2cccc(F)c21 39121458 169029258 /nfs/dbraw/zinc/02/92/58/169029258.db2.gz AYZCVCFJFSLWEE-UHFFFAOYSA-N 0 0 177.178 1.678 10 0 ADAERN Cn1c(=O)oc2cc(F)c(F)cc21 62152916 169029463 /nfs/dbraw/zinc/02/94/63/169029463.db2.gz AQWCXRXGETZEPB-UHFFFAOYSA-N 0 0 185.129 1.410 10 0 ADAERN Cn1c(/C=C/CO)nc2ccccc21 45238345 169029514 /nfs/dbraw/zinc/02/95/14/169029514.db2.gz QLRQWSPTQICTNM-QPJJXVBHSA-N 0 0 188.230 1.579 10 0 ADAERN Cn1c(-c2ccccc2)cnc1CO 75844666 169029551 /nfs/dbraw/zinc/02/95/51/169029551.db2.gz LCQGVORAXVRNLO-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN Cn1c(-c2cc[nH]c2)n[nH]c1=S 77268391 169029674 /nfs/dbraw/zinc/02/96/74/169029674.db2.gz NAQQISFXUNJNGG-UHFFFAOYSA-N 0 0 180.236 1.473 10 0 ADAERN Cn1c(=NC#N)sc2ccccc21 255990925 169029684 /nfs/dbraw/zinc/02/96/84/169029684.db2.gz NUTOSDSDBXXHIU-UHFFFAOYSA-N 0 0 189.243 1.622 10 0 ADAERN Cn1c(=O)[nH]c2ccc(F)c(F)c21 75946252 169029701 /nfs/dbraw/zinc/02/97/01/169029701.db2.gz BNYOSGCFQQMGHK-UHFFFAOYSA-N 0 0 184.145 1.145 10 0 ADAERN Cn1c(=O)cnc2cc(Cl)ccc21 196809643 169029723 /nfs/dbraw/zinc/02/97/23/169029723.db2.gz XIUOFUGWLUUVGI-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN Cn1c(-c2ccccc2)cnc1C=O 75844219 169029804 /nfs/dbraw/zinc/02/98/04/169029804.db2.gz SMHZYINZQVDBTA-UHFFFAOYSA-N 0 0 186.214 1.900 10 0 ADAERN Cn1c(=O)oc2c(N)cc(Cl)cc21 41568830 169029959 /nfs/dbraw/zinc/02/99/59/169029959.db2.gz UBTAYWJICJXCNW-UHFFFAOYSA-N 0 0 198.609 1.367 10 0 ADAERN Cn1c(=O)ccc2cc(F)c(N)cc21 39121550 169030018 /nfs/dbraw/zinc/03/00/18/169030018.db2.gz LLIOLZAXFMHYCZ-UHFFFAOYSA-N 0 0 192.193 1.260 10 0 ADAERN Cn1c2cc3ccccc3[nH]c-2nc1=O 13824601 169030037 /nfs/dbraw/zinc/03/00/37/169030037.db2.gz PAFMJYHJVIDVQK-UHFFFAOYSA-N 0 0 199.213 1.415 10 0 ADAERN Cn1c(=O)oc2c(Cl)cccc21 62520285 169030094 /nfs/dbraw/zinc/03/00/94/169030094.db2.gz BNEJENBZIXIEPC-UHFFFAOYSA-N 0 0 183.594 1.785 10 0 ADAERN Cn1c(=O)oc2c(Cl)cc(N)cc21 62522426 169030149 /nfs/dbraw/zinc/03/01/49/169030149.db2.gz NCRKTAMZIQSZIW-UHFFFAOYSA-N 0 0 198.609 1.367 10 0 ADAERN Cn1c(=O)[nH]c2cc(F)ccc21 45238446 169030183 /nfs/dbraw/zinc/03/01/83/169030183.db2.gz KUDXFSXOKPNJAF-UHFFFAOYSA-N 0 0 166.155 1.006 10 0 ADAERN Cn1c(C=O)c(N)c2ccccc21 82399423 169030437 /nfs/dbraw/zinc/03/04/37/169030437.db2.gz KONCGUSHHMZBGO-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN Cn1c(C=O)cc2c1CCC2 82408603 169030443 /nfs/dbraw/zinc/03/04/43/169030443.db2.gz ODHNQEHIRJHTMJ-UHFFFAOYSA-N 0 0 149.193 1.326 10 0 ADAERN Cn1c(C=O)nc2cc(O)ccc21 82398909 169030467 /nfs/dbraw/zinc/03/04/67/169030467.db2.gz HUABQLNYPYOYHU-UHFFFAOYSA-N 0 0 176.175 1.091 10 0 ADAERN Cn1c(C=O)ccc1[Si](C)(C)C 196626533 169030506 /nfs/dbraw/zinc/03/05/06/169030506.db2.gz VLMIESWKYUKLSN-UHFFFAOYSA-N 0 0 181.311 1.383 10 0 ADAERN Cn1c(=O)sc2cc(O)ccc21 13376293 169030584 /nfs/dbraw/zinc/03/05/84/169030584.db2.gz OFRAGDTYBWBHTR-UHFFFAOYSA-N 0 0 181.216 1.306 10 0 ADAERN Cn1c(C=O)nnc1-c1cccs1 75844248 169030659 /nfs/dbraw/zinc/03/06/59/169030659.db2.gz VIAUBVXXLVGUEU-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cn1c(C2CCOCC2)n[nH]c1=S 83253882 169030707 /nfs/dbraw/zinc/03/07/07/169030707.db2.gz HJAFSBLBCXOUSZ-UHFFFAOYSA-N 0 0 199.279 1.372 10 0 ADAERN Cn1c(=S)[nH]c2cc(O)ccc21 75952283 169030717 /nfs/dbraw/zinc/03/07/17/169030717.db2.gz XMQBQNQVUGHINZ-UHFFFAOYSA-N 0 0 180.232 1.941 10 0 ADAERN Cn1c(C2CC2)nnc1N1CCCC1 335924063 169030784 /nfs/dbraw/zinc/03/07/84/169030784.db2.gz IFRUDWVDOHIDSH-UHFFFAOYSA-N 0 0 192.266 1.293 10 0 ADAERN Cn1c(C2CC2)nc2cnc(N)cc21 83253639 169030806 /nfs/dbraw/zinc/03/08/06/169030806.db2.gz WOLLXDTXYDZDGE-UHFFFAOYSA-N 0 0 188.234 1.428 10 0 ADAERN Cn1c(C=O)cc2ncccc21 82405340 169030848 /nfs/dbraw/zinc/03/08/48/169030848.db2.gz VAMVGSQVKPWSGX-UHFFFAOYSA-N 0 0 160.176 1.386 10 0 ADAERN Cn1c(C=O)nc2cccc(F)c21 82397978 169030887 /nfs/dbraw/zinc/03/08/87/169030887.db2.gz ZIYLJXDIKJOIFQ-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cn1c(CC(N)=O)cc2ccccc21 5337970 169030960 /nfs/dbraw/zinc/03/09/60/169030960.db2.gz UYWAJZAJCJMLMV-UHFFFAOYSA-N 0 0 188.230 1.206 10 0 ADAERN Cn1c(C(N)=S)nc2ccccc21 13226916 169031013 /nfs/dbraw/zinc/03/10/13/169031013.db2.gz CKYJSBBYRYUROM-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1c(=O)sc2c(C=O)cccc21 82388270 169031030 /nfs/dbraw/zinc/03/10/30/169031030.db2.gz IXRIMDVWVOEYQU-UHFFFAOYSA-N 0 0 193.227 1.413 10 0 ADAERN Cn1c(C(C)(C)O)nc2ccccc21 8785916 169031095 /nfs/dbraw/zinc/03/10/95/169031095.db2.gz VBGZYBQGWRDKCH-UHFFFAOYSA-N 0 0 190.246 1.801 10 0 ADAERN Cn1c(C2CC2)nc2cc(N)cnc21 82530153 169031166 /nfs/dbraw/zinc/03/11/66/169031166.db2.gz CXYMWRHVLDSHAV-UHFFFAOYSA-N 0 0 188.234 1.428 10 0 ADAERN Cn1c(C(C)(C)O)nc2cccnc21 75846036 169031207 /nfs/dbraw/zinc/03/12/07/169031207.db2.gz ZVJIKNRJORQSRO-UHFFFAOYSA-N 0 0 191.234 1.196 10 0 ADAERN Cn1c(C=O)cnc1-c1nccs1 90669457 169031387 /nfs/dbraw/zinc/03/13/87/169031387.db2.gz KKFQYSCXLKUTHR-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cn1c(C(N)=S)cc2ccccc21 196250379 169031423 /nfs/dbraw/zinc/03/14/23/169031423.db2.gz ILQJGSAYMOOQFE-UHFFFAOYSA-N 0 0 190.271 1.813 10 0 ADAERN Cn1c(C(C)(C)O)nc2c1CCCC2 75846039 169031430 /nfs/dbraw/zinc/03/14/30/169031430.db2.gz STVJNRJDUSLNTO-UHFFFAOYSA-N 0 0 194.278 1.526 10 0 ADAERN Cn1c(C=O)cc(=O)c2ccccc21 39236646 169031533 /nfs/dbraw/zinc/03/15/33/169031533.db2.gz NIDHRQWQTNRFHE-UHFFFAOYSA-N 0 0 187.198 1.351 10 0 ADAERN Cn1c(=S)n(N)c2ccccc21 8703301 169031583 /nfs/dbraw/zinc/03/15/83/169031583.db2.gz NCYCTEYPQNDTLA-UHFFFAOYSA-N 0 0 179.248 1.423 10 0 ADAERN Cn1c(C=O)cc2ccncc21 82405334 169031607 /nfs/dbraw/zinc/03/16/07/169031607.db2.gz ZONRGMZQSAMOKC-UHFFFAOYSA-N 0 0 160.176 1.386 10 0 ADAERN Cn1c(C=O)c(O)c2ccccc21 6257262 169031635 /nfs/dbraw/zinc/03/16/35/169031635.db2.gz PJKLILSDGUSXDZ-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Cn1c(=O)sc2ccc(C=O)cc21 82388286 169031652 /nfs/dbraw/zinc/03/16/52/169031652.db2.gz NVNOOWKUOJLWBK-UHFFFAOYSA-N 0 0 193.227 1.413 10 0 ADAERN Cn1c(C=O)nc2c(F)cccc21 82397979 169031657 /nfs/dbraw/zinc/03/16/57/169031657.db2.gz CJNLZCAVUDMSPI-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cn1c(C=O)cc2c1CCCC2 39261247 169031684 /nfs/dbraw/zinc/03/16/84/169031684.db2.gz CNAZEVFTQOBVCT-UHFFFAOYSA-N 0 0 163.220 1.716 10 0 ADAERN Cn1c(C=O)c(C=O)c2ccccc21 39250170 169031734 /nfs/dbraw/zinc/03/17/34/169031734.db2.gz CEXLLMKJWFAILS-UHFFFAOYSA-N 0 0 187.198 1.803 10 0 ADAERN Cn1c(N)c(-c2ccco2)[nH]c1=S 20269009 169032086 /nfs/dbraw/zinc/03/20/86/169032086.db2.gz KSYGTJIRKKPECG-UHFFFAOYSA-N 0 0 195.247 1.925 10 0 ADAERN Cn1c(Cl)nnc1Cl 39088512 169032123 /nfs/dbraw/zinc/03/21/23/169032123.db2.gz PTYSJUCNMCIREW-UHFFFAOYSA-N 0 0 151.984 1.122 10 0 ADAERN Cn1c(N)cc2ccccc2c1=O 34977274 169032257 /nfs/dbraw/zinc/03/22/57/169032257.db2.gz HSFPAWIKWZOGEO-UHFFFAOYSA-N 0 0 174.203 1.121 10 0 ADAERN Cn1c(CC2CC2)n[nH]c1=S 73739843 169032277 /nfs/dbraw/zinc/03/22/77/169032277.db2.gz KGRDINKEOFTMSE-UHFFFAOYSA-N 0 0 169.253 1.430 10 0 ADAERN Cn1c(CNO)nc2ccccc21 95922677 169032378 /nfs/dbraw/zinc/03/23/78/169032378.db2.gz CHBCIFXFYJFXDC-UHFFFAOYSA-N 0 0 177.207 1.052 10 0 ADAERN Cn1c(CO)nc2cc(Cl)cnc21 39117628 169032669 /nfs/dbraw/zinc/03/26/69/169032669.db2.gz UMBSYQZBTOGQQW-UHFFFAOYSA-N 0 0 197.625 1.114 10 0 ADAERN Cn1c(N)nc2cc3ccncc3nc21 39134202 169032759 /nfs/dbraw/zinc/03/27/59/169032759.db2.gz PWWGBEZUKUYAPX-UHFFFAOYSA-N 0 0 199.217 1.099 10 0 ADAERN Cn1c(CO)cc(=O)c2ccccc21 34732531 169032830 /nfs/dbraw/zinc/03/28/30/169032830.db2.gz DDXVLAFNBBIABP-UHFFFAOYSA-N 0 0 189.214 1.031 10 0 ADAERN Cn1c(Cl)nc2cc(N)ccc21 38950044 169032847 /nfs/dbraw/zinc/03/28/47/169032847.db2.gz PTEJPYNTLJOJBM-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1c(CO)nc2ccc(Cl)nc21 39149052 169032852 /nfs/dbraw/zinc/03/28/52/169032852.db2.gz NGTSTCKOSFAPKH-UHFFFAOYSA-N 0 0 197.625 1.114 10 0 ADAERN Cn1c(Cl)cnc1/C=C\[N+](=O)[O-] 83312956 169032866 /nfs/dbraw/zinc/03/28/66/169032866.db2.gz KEYJSJJHAGICQD-IHWYPQMZSA-N 0 0 187.586 1.321 10 0 ADAERN Cn1c(Cl)cnc1/C=C/[N+](=O)[O-] 3604787 169033061 /nfs/dbraw/zinc/03/30/61/169033061.db2.gz KEYJSJJHAGICQD-NSCUHMNNSA-N 0 0 187.586 1.321 10 0 ADAERN Cn1c(N)c(C=O)c2ccccc21 82399480 169033237 /nfs/dbraw/zinc/03/32/37/169033237.db2.gz WUEDVRVIIOCBRM-UHFFFAOYSA-N 0 0 174.203 1.573 10 0 ADAERN CC(C)c1nc2cc[nH]c(=O)c2[nH]1 136256022 343978561 /nfs/dbraw/zinc/97/85/61/343978561.db2.gz YYJKGRDKYSAWOX-UHFFFAOYSA-N 0 0 177.207 1.375 10 0 ADAERN Cn1c(CO)cc2occc21 5177685 169033525 /nfs/dbraw/zinc/03/35/25/169033525.db2.gz NFXLJAQPEZHXHV-UHFFFAOYSA-N 0 0 151.165 1.264 10 0 ADAERN Cn1c(N)[nH+]c2cc([S-])ccc21 95922662 169033528 /nfs/dbraw/zinc/03/35/28/169033528.db2.gz HDLQRQKPYAJJNT-UHFFFAOYSA-N 0 0 179.248 1.444 10 0 ADAERN Cn1c(CO)cc2cc(N)ccc21 45809567 169033569 /nfs/dbraw/zinc/03/35/69/169033569.db2.gz WTCDQXZFPDDLRN-UHFFFAOYSA-N 0 0 176.219 1.253 10 0 ADAERN Cn1c(CO)nc2cccc(F)c21 76047126 169033718 /nfs/dbraw/zinc/03/37/18/169033718.db2.gz JTHKCOOVOGXBAA-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN Cn1c(N(O)C=N)nc2ccccc21 45238460 169033739 /nfs/dbraw/zinc/03/37/39/169033739.db2.gz LNIZTYJGAWTJFO-UHFFFAOYSA-N 0 0 190.206 1.376 10 0 ADAERN Cn1c(CO)nc2ccc(F)c(F)c21 76047124 169033877 /nfs/dbraw/zinc/03/38/77/169033877.db2.gz DXNKYHVFHJVQKK-UHFFFAOYSA-N 0 0 198.172 1.344 10 0 ADAERN Cn1c(Cl)nc2ccc(N)cc21 34500097 169033927 /nfs/dbraw/zinc/03/39/27/169033927.db2.gz VMRHKCAEQFYIBE-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1c(N)nnc1/C=C/c1ccco1 28531909 169034206 /nfs/dbraw/zinc/03/42/06/169034206.db2.gz HNFMCCJWNMVYEV-SNAWJCMRSA-N 0 0 190.206 1.161 10 0 ADAERN Cn1c(N)nnc1-c1cccs1 28531863 169034274 /nfs/dbraw/zinc/03/42/74/169034274.db2.gz LHTRVMXSINBZLG-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1c(N)nnc1-c1ccccc1 28531870 169034309 /nfs/dbraw/zinc/03/43/09/169034309.db2.gz KVORKPIXGFVCNH-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1c2c([nH]c1=S)CCCN2 76131781 169034320 /nfs/dbraw/zinc/03/43/20/169034320.db2.gz GVAVIJLAYFXDBU-UHFFFAOYSA-N 0 0 169.253 1.441 10 0 ADAERN Cn1c(N2CCCC2)n[nH]c1=S 21948705 169034334 /nfs/dbraw/zinc/03/43/34/169034334.db2.gz MOPKMQNZOGKBSC-UHFFFAOYSA-N 0 0 184.268 1.078 10 0 ADAERN Cn1c2ccccc2c2nnc(N)nc21 26473852 169034339 /nfs/dbraw/zinc/03/43/39/169034339.db2.gz MMZHBNJVEKKZKQ-UHFFFAOYSA-N 0 0 199.217 1.099 10 0 ADAERN Cn1c(O)c2ccccc2c1O 34582176 169034367 /nfs/dbraw/zinc/03/43/67/169034367.db2.gz CNZGPENMTHOTAA-UHFFFAOYSA-N 0 0 163.176 1.590 10 0 ADAERN Cn1c([C@H]2CO2)nc2ccccc21 22214892 169034401 /nfs/dbraw/zinc/03/44/01/169034401.db2.gz IJCFWCAGQVHCTC-SECBINFHSA-N 0 0 174.203 1.645 10 0 ADAERN Cn1cc(-c2ccccc2)nc1C[NH3+] 82636005 169034407 /nfs/dbraw/zinc/03/44/07/169034407.db2.gz ACJGTTDKXBKEFE-UHFFFAOYSA-N 0 0 187.246 1.546 10 0 ADAERN Cn1c(N)nnc1SC(F)(F)F 42584106 169034473 /nfs/dbraw/zinc/03/44/73/169034473.db2.gz AZVSNFJPQQBVLV-UHFFFAOYSA-N 0 0 198.173 1.009 10 0 ADAERN Cn1cc(-c2ccc(C[NH3+])s2)cn1 70601109 169034504 /nfs/dbraw/zinc/03/45/04/169034504.db2.gz RPCALPBOLFTSLB-UHFFFAOYSA-N 0 0 193.275 1.607 10 0 ADAERN Cn1c(N)nc2nc3cccnc3cc21 5116669 169034587 /nfs/dbraw/zinc/03/45/87/169034587.db2.gz XPPWPWDVLBEMIF-UHFFFAOYSA-N 0 0 199.217 1.099 10 0 ADAERN Cn1c(N)nnc1-c1ccc(F)cc1 28531879 169034665 /nfs/dbraw/zinc/03/46/65/169034665.db2.gz IUYDRPBUCIZWOD-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1c(SC=O)nc2ccccc21 90676743 169034711 /nfs/dbraw/zinc/03/47/11/169034711.db2.gz BJULMQJCJKRYBH-UHFFFAOYSA-N 0 0 192.243 1.856 10 0 ADAERN Cn1cc(-c2ccc(C[NH3+])o2)cn1 82634412 169034808 /nfs/dbraw/zinc/03/48/08/169034808.db2.gz HCTQTXQGHJWMNR-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN Cn1c(NC(C)(C)C)nnc1C1CC1 306571103 169034880 /nfs/dbraw/zinc/03/48/80/169034880.db2.gz ZUEPPNSVGQJUAX-UHFFFAOYSA-N 0 0 194.282 1.903 10 0 ADAERN Cn1c(N)nnc1-c1ccccc1F 28531876 169034889 /nfs/dbraw/zinc/03/48/89/169034889.db2.gz CKMBHXZRHWDHBM-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1c(NC#N)nc2ccccc21 95922679 169034911 /nfs/dbraw/zinc/03/49/11/169034911.db2.gz RJLZETGGHUELSJ-UHFFFAOYSA-N 0 0 172.191 1.466 10 0 ADAERN Cn1c[n+]([O-])c2ccc(Cl)cc21 95922688 169034960 /nfs/dbraw/zinc/03/49/60/169034960.db2.gz ZNMVMEZEIKIMED-UHFFFAOYSA-N 0 0 182.610 1.465 10 0 ADAERN Cn1c(NN)nnc1C1CCCCC1 28531991 169035017 /nfs/dbraw/zinc/03/50/17/169035017.db2.gz HQHXAHYENQHDHQ-UHFFFAOYSA-N 0 0 195.270 1.148 10 0 ADAERN Cn1c(=NN)[nH]c2ccc(F)c(F)c21 75948918 169035031 /nfs/dbraw/zinc/03/50/31/169035031.db2.gz NDSFQISIHGEGET-UHFFFAOYSA-N 0 0 198.176 1.137 10 0 ADAERN Cn1c(N)nnc1-c1cccc(F)c1 28531877 169035061 /nfs/dbraw/zinc/03/50/61/169035061.db2.gz QBYFDQOEBKKDOC-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1cc(-c2cc(Cl)ncn2)cn1 38580386 169035073 /nfs/dbraw/zinc/03/50/73/169035073.db2.gz FQHQKAQBHXJXFW-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1cc(-c2ccccc2)c(=O)o1 173036 169035182 /nfs/dbraw/zinc/03/51/82/169035182.db2.gz PPEZXAYLTMFTCB-UHFFFAOYSA-N 0 0 175.187 1.645 10 0 ADAERN Cn1c(N)nnc1C1CCCCC1 28531859 169035184 /nfs/dbraw/zinc/03/51/84/169035184.db2.gz QHXNCYZEDQOTFL-UHFFFAOYSA-N 0 0 180.255 1.445 10 0 ADAERN Cn1c([C@@H]2CO2)nc2ccccc21 22214889 169035248 /nfs/dbraw/zinc/03/52/48/169035248.db2.gz IJCFWCAGQVHCTC-VIFPVBQESA-N 0 0 174.203 1.645 10 0 ADAERN Cn1c(N)nc2nc3ncccc3cc21 5116672 169035338 /nfs/dbraw/zinc/03/53/38/169035338.db2.gz SBRSKWZLTLQYPK-UHFFFAOYSA-N 0 0 199.217 1.099 10 0 ADAERN CN1C(=O)N=C(c2ccccc2)C1N 106156668 169035357 /nfs/dbraw/zinc/03/53/57/169035357.db2.gz CRQFUNCATBETIY-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN Cn1c(SC2CCCC2)n[nH]c1=O 306183945 169035387 /nfs/dbraw/zinc/03/53/87/169035387.db2.gz BUSKXLBAOPHRPK-UHFFFAOYSA-N 0 0 199.279 1.143 10 0 ADAERN Cn1cc(-c2ccnc(Cl)n2)cn1 38580157 169035416 /nfs/dbraw/zinc/03/54/16/169035416.db2.gz CLPHKONKJXAECN-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1c(NCCF)nc2ccccc21 306755062 169035424 /nfs/dbraw/zinc/03/54/24/169035424.db2.gz OPQNGQOPWVFTEX-UHFFFAOYSA-N 0 0 193.225 1.955 10 0 ADAERN Cn1cc(-c2ccc(N)cn2)cn1 82399377 169035458 /nfs/dbraw/zinc/03/54/58/169035458.db2.gz GPYDZJSSZUHQKT-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1c2cssc-2c(N)c1=O 13351811 169035477 /nfs/dbraw/zinc/03/54/77/169035477.db2.gz RQIPPEUKPSPCCI-UHFFFAOYSA-N 0 0 186.261 1.195 10 0 ADAERN Cn1c(N)nc2nc3ccncc3cc21 5116674 169035480 /nfs/dbraw/zinc/03/54/80/169035480.db2.gz VGEUYICPYBCMIE-UHFFFAOYSA-N 0 0 199.217 1.099 10 0 ADAERN Cn1c(N2CC2)nc2ccccc21 95922678 169035491 /nfs/dbraw/zinc/03/54/91/169035491.db2.gz KAINRTFSYKVGRZ-UHFFFAOYSA-N 0 0 173.219 1.393 10 0 ADAERN Cn1cc(-c2ccccc2)[nH]c1=O 27656129 169035555 /nfs/dbraw/zinc/03/55/55/169035555.db2.gz USRAXILKBZQDTP-UHFFFAOYSA-N 0 0 174.203 1.380 10 0 ADAERN Cn1c(N2CCCCC2)n[nH]c1=S 21949614 169035560 /nfs/dbraw/zinc/03/55/60/169035560.db2.gz ONCQGQAIZFKVHB-UHFFFAOYSA-N 0 0 198.295 1.468 10 0 ADAERN Cn1c2ccccc2c2ncnc(N)c21 72124636 169035616 /nfs/dbraw/zinc/03/56/16/169035616.db2.gz LBXWWXLWVSDRRD-UHFFFAOYSA-N 0 0 198.229 1.704 10 0 ADAERN Cn1c2c([nH]c1=S)CCCC2 76095216 169035643 /nfs/dbraw/zinc/03/56/43/169035643.db2.gz MYBAPWGASOVOIR-UHFFFAOYSA-N 0 0 168.265 1.961 10 0 ADAERN CC1=CC=C/C(=C\N=O)N1 136266485 343978567 /nfs/dbraw/zinc/97/85/67/343978567.db2.gz IQXXSYUDTXIXFV-FNORWQNLSA-N 0 0 136.154 1.657 10 0 in-vitro ADAERN Cn1cc(C(=O)CN)c2ccccc21 41204161 169035870 /nfs/dbraw/zinc/03/58/70/169035870.db2.gz ZEWPWEIAWVNJCD-UHFFFAOYSA-N 0 0 188.230 1.320 10 0 ADAERN Cn1cc(-c2cnc(N)s2)cn1 38069386 169035954 /nfs/dbraw/zinc/03/59/54/169035954.db2.gz JEUYCWPIHWKENC-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cc(C(=O)c2ccco2)cn1 35369286 169036025 /nfs/dbraw/zinc/03/60/25/169036025.db2.gz QPWYZPKLTOFEKQ-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN Cn1cc(-c2cnc3cc[nH]c3n2)cn1 33359430 169036056 /nfs/dbraw/zinc/03/60/56/169036056.db2.gz ZLZURGPLAAHKEX-UHFFFAOYSA-N 0 0 199.217 1.358 10 0 ADAERN Cn1cc(-c2nnc(C3CC3)[nH]2)cn1 41057716 169036187 /nfs/dbraw/zinc/03/61/87/169036187.db2.gz AOJPRDWPFAUVBP-UHFFFAOYSA-N 0 0 189.222 1.083 10 0 ADAERN Cn1cc(-n2cc[nH]c2=S)cn1 35738074 169036270 /nfs/dbraw/zinc/03/62/70/169036270.db2.gz LEGGELPHBZVQCO-UHFFFAOYSA-N 0 0 180.236 1.268 10 0 ADAERN Cn1cc(C(=O)c2cccs2)cn1 35098577 169036294 /nfs/dbraw/zinc/03/62/94/169036294.db2.gz SLJQXEPTKGGBDA-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1cc(C(=O)C=O)c2ccccc21 77273489 169036358 /nfs/dbraw/zinc/03/63/58/169036358.db2.gz YYHXWBMRHJEVFK-UHFFFAOYSA-N 0 0 187.198 1.560 10 0 ADAERN Cn1cc(C(F)(F)F)nc1C=O 82398044 169036426 /nfs/dbraw/zinc/03/64/26/169036426.db2.gz XKQHHUHQLZZEBW-UHFFFAOYSA-N 0 0 178.113 1.251 10 0 ADAERN Cn1cc(C(=O)C2CC2)cn1 36944445 169036453 /nfs/dbraw/zinc/03/64/53/169036453.db2.gz KLVBNQJKTGRWPJ-UHFFFAOYSA-N 0 0 150.181 1.013 10 0 ADAERN Cn1cc(-c2noc(Cl)n2)cn1 37926888 169036474 /nfs/dbraw/zinc/03/64/74/169036474.db2.gz ONABWDQDFPWHME-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Cn1cc(C(=O)CC(F)(F)F)cn1 36944395 169036508 /nfs/dbraw/zinc/03/65/08/169036508.db2.gz BERPUNAJDJVDOD-UHFFFAOYSA-N 0 0 192.140 1.555 10 0 ADAERN Cn1cc(C(N)=O)c(C2CCC2)n1 335170781 169036523 /nfs/dbraw/zinc/03/65/23/169036523.db2.gz DJVNHGKAVVZLOQ-UHFFFAOYSA-N 0 0 179.223 1.571 10 0 ADAERN Cn1cc(C(=O)C(C)(C)C)cn1 36944316 169036598 /nfs/dbraw/zinc/03/65/98/169036598.db2.gz DUKCSWDTTFWEBW-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN Cn1cc(-c2ccnc3[nH]ccc23)cn1 49068596 169036602 /nfs/dbraw/zinc/03/66/02/169036602.db2.gz IMQVBCRZLIQNPG-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN Cn1cc(C(N)=S)c2ccccc21 19726661 169036623 /nfs/dbraw/zinc/03/66/23/169036623.db2.gz ZHBKUVWKSAGLFS-UHFFFAOYSA-N 0 0 190.271 1.813 10 0 ADAERN Cn1cc(C(=O)CO)c2ccccc21 2015094 169036660 /nfs/dbraw/zinc/03/66/60/169036660.db2.gz DFHGHQAFUBWFPM-UHFFFAOYSA-N 0 0 189.214 1.353 10 0 ADAERN Cn1cc(C(=O)c2ccsc2)cn1 35369284 169036701 /nfs/dbraw/zinc/03/67/01/169036701.db2.gz AJXMXHFBOADIHO-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1cc(C(=O)C2CCOCC2)cn1 83571716 169036826 /nfs/dbraw/zinc/03/68/26/169036826.db2.gz JISZEOKAQLNUGL-UHFFFAOYSA-N 0 0 194.234 1.029 10 0 ADAERN Cn1cc(C(=O)c2ccncc2)cn1 34977021 169036899 /nfs/dbraw/zinc/03/68/99/169036899.db2.gz UMTOYNADZWZMKK-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN Cn1cc(-c2nccc(Cl)n2)cn1 36882234 169036927 /nfs/dbraw/zinc/03/69/27/169036927.db2.gz YBFACDIDRVZZON-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1cc(-c2ccncc2)cn1 1501838 169036976 /nfs/dbraw/zinc/03/69/76/169036976.db2.gz FJJQOGZWCRKCKM-UHFFFAOYSA-N 0 0 159.192 1.482 10 0 ADAERN Cn1cc(C(=O)C2CCC2)cn1 34977016 169037159 /nfs/dbraw/zinc/03/71/59/169037159.db2.gz ZBEBBEALMSFIPO-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN Cn1cc(-c2nc(N)cs2)cn1 40539064 169037292 /nfs/dbraw/zinc/03/72/92/169037292.db2.gz MIUJHWPGNZKPCN-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cc(C(=O)C2CCCC2)cn1 36944427 169037296 /nfs/dbraw/zinc/03/72/96/169037296.db2.gz UEULQIFBUWMXMF-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN Cn1cc(C(=O)c2ccoc2)cn1 35369280 169037326 /nfs/dbraw/zinc/03/73/26/169037326.db2.gz TTXYUBDJJQWHEL-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN Cn1cc(-c2ncsc2N)cn1 50307945 169037343 /nfs/dbraw/zinc/03/73/43/169037343.db2.gz ZSYUWLIBDGYRGZ-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cc(CC[C@@H](O)C(C)(C)C)cn1 50543693 169037717 /nfs/dbraw/zinc/03/77/17/169037717.db2.gz NNEZXIPNZTVEPI-SNVBAGLBSA-N 0 0 196.294 1.760 10 0 ADAERN C[C@@H]1Cc2ccccc2C(=O)O1 136261530 343978570 /nfs/dbraw/zinc/97/85/70/343978570.db2.gz VTSAALCORKKACE-SSDOTTSWSA-N 0 0 162.188 1.788 10 0 ADAERN Cn1cc(C=O)cc1C(F)(F)F 82398561 169037818 /nfs/dbraw/zinc/03/78/18/169037818.db2.gz XNAIUGBVSOPZBG-UHFFFAOYSA-N 0 0 177.125 1.856 10 0 ADAERN Cn1cc(CCON)c2ccccc21 76634458 169037843 /nfs/dbraw/zinc/03/78/43/169037843.db2.gz DXSZHTWJCCHPMX-UHFFFAOYSA-N 0 0 190.246 1.611 10 0 ADAERN Cn1cc(CC(=O)C2CCCC2)cn1 50541869 169038132 /nfs/dbraw/zinc/03/81/32/169038132.db2.gz FKWRNBDZHWICAF-UHFFFAOYSA-N 0 0 192.262 1.722 10 0 ADAERN Cn1cc(C=O)c2ncccc21 82405336 169038207 /nfs/dbraw/zinc/03/82/07/169038207.db2.gz YFVZIDWCXCIAEC-UHFFFAOYSA-N 0 0 160.176 1.386 10 0 ADAERN Cn1cc(CC(=O)[O-])c2c[nH+]ccc21 82390543 169038211 /nfs/dbraw/zinc/03/82/11/169038211.db2.gz CUCSYXLKPPOAOF-UHFFFAOYSA-N 0 0 190.202 1.200 10 0 ADAERN Cn1cc(CCC(=O)C(C)(C)C)cn1 50540466 169038466 /nfs/dbraw/zinc/03/84/66/169038466.db2.gz IGROTGRQDGLAOY-UHFFFAOYSA-N 0 0 194.278 1.968 10 0 ADAERN Cn1cc(C=O)nc1-c1nccs1 90669445 169038519 /nfs/dbraw/zinc/03/85/19/169038519.db2.gz JAFVAAMRARWAIC-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cn1cc(CCO)c2cccc(F)c21 71491857 169038526 /nfs/dbraw/zinc/03/85/26/169038526.db2.gz ZUOUAZSFQPZWNX-UHFFFAOYSA-N 0 0 193.221 1.852 10 0 ADAERN Cn1cc(C=O)c(-c2ccco2)n1 36894406 169038536 /nfs/dbraw/zinc/03/85/36/169038536.db2.gz LSBSFUWNOWQJDR-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN Cn1cc(CC[C@H](O)C(C)(C)C)cn1 50543694 169038547 /nfs/dbraw/zinc/03/85/47/169038547.db2.gz NNEZXIPNZTVEPI-JTQLQIEISA-N 0 0 196.294 1.760 10 0 ADAERN Cn1cc(C=O)sc1=S 39063391 169038585 /nfs/dbraw/zinc/03/85/85/169038585.db2.gz BNYCVAOUQYVDLH-UHFFFAOYSA-N 0 0 159.235 1.629 10 0 ADAERN Cn1cc(CC2(O)CCCCC2)cn1 50541326 169038616 /nfs/dbraw/zinc/03/86/16/169038616.db2.gz WTNGXIYVDNZFNQ-UHFFFAOYSA-N 0 0 194.278 1.658 10 0 ADAERN Cn1cc(CC(=O)C(C)(C)C)cn1 50541859 169038739 /nfs/dbraw/zinc/03/87/39/169038739.db2.gz WXWDNTUMFGXUEH-UHFFFAOYSA-N 0 0 180.251 1.578 10 0 ADAERN Cn1cc(C=O)c2c(Cl)ncnc21 83280880 169038771 /nfs/dbraw/zinc/03/87/71/169038771.db2.gz CIEYPMRLILCTMZ-UHFFFAOYSA-N 0 0 195.609 1.434 10 0 ADAERN Cn1cc(C=O)c2c(O)cccc21 34165049 169038889 /nfs/dbraw/zinc/03/88/89/169038889.db2.gz RZRWBQDNVAZZRZ-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Cn1cc(CC2(O)CCCC2)cn1 50541400 169038959 /nfs/dbraw/zinc/03/89/59/169038959.db2.gz DVUWJZMQACFIMP-UHFFFAOYSA-N 0 0 180.251 1.268 10 0 ADAERN Cn1cc(CCO)c2cc(F)ccc21 71491835 169038988 /nfs/dbraw/zinc/03/89/88/169038988.db2.gz BAKODUQAJLJWFS-UHFFFAOYSA-N 0 0 193.221 1.852 10 0 ADAERN Cn1cc(C2CCCC2)nc1C=O 82397774 169039095 /nfs/dbraw/zinc/03/90/95/169039095.db2.gz VJCOOFPGPUWZIF-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN Cn1cc(Cn2cccc2C=O)cn1 45136431 169039269 /nfs/dbraw/zinc/03/92/69/169039269.db2.gz ZTISOBDYAUAAPY-UHFFFAOYSA-N 0 0 189.218 1.082 10 0 ADAERN Cn1cc(C[C@@H]2CCCCC2=O)cn1 50540484 169039284 /nfs/dbraw/zinc/03/92/84/169039284.db2.gz AHQMWTRHOSWUHE-JTQLQIEISA-N 0 0 192.262 1.722 10 0 ADAERN Cn1cc(N)cc1C(=O)NC(C)(C)C 36860835 169039300 /nfs/dbraw/zinc/03/93/00/169039300.db2.gz WFKCCFWXYHIEIJ-UHFFFAOYSA-N 0 0 195.266 1.136 10 0 ADAERN Cn1cc(CO)c2cccc(N)c21 257928643 169039360 /nfs/dbraw/zinc/03/93/60/169039360.db2.gz SQCGPTAWMDJXHI-UHFFFAOYSA-N 0 0 176.219 1.253 10 0 ADAERN Cn1cc(CO)nc1-c1ccccc1 34087652 169039377 /nfs/dbraw/zinc/03/93/77/169039377.db2.gz XOWFFOBIEGIMNY-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN Cn1cc(C[C@H](O)C2CCCC2)cn1 50542119 169039460 /nfs/dbraw/zinc/03/94/60/169039460.db2.gz LABREKIBAMFALR-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc(N)c2ccccc2c1=O 1577891 169039479 /nfs/dbraw/zinc/03/94/79/169039479.db2.gz POFOHGJSABLRLM-UHFFFAOYSA-N 0 0 174.203 1.121 10 0 ADAERN Cn1cc(C[C@H](O)C(C)(C)C)cn1 50542100 169039535 /nfs/dbraw/zinc/03/95/35/169039535.db2.gz JUVGPCVMFVZBEI-VIFPVBQESA-N 0 0 182.267 1.370 10 0 ADAERN Cn1cc(C[C@@H](O)C2CCCC2)cn1 50542120 169039553 /nfs/dbraw/zinc/03/95/53/169039553.db2.gz LABREKIBAMFALR-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc(C[C@H]2CCC[C@H]2O)cn1 50543668 169039570 /nfs/dbraw/zinc/03/95/70/169039570.db2.gz FLHIPPYPKPJXBP-NXEZZACHSA-N 0 0 180.251 1.124 10 0 ADAERN Cn1cc(C[C@H]2CCCC[C@@H]2O)cn1 50543706 169039664 /nfs/dbraw/zinc/03/96/64/169039664.db2.gz DHGVHCNVIFZWGB-MNOVXSKESA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc(C[C@@H](O)C(C)(C)C)cn1 50542099 169039686 /nfs/dbraw/zinc/03/96/86/169039686.db2.gz JUVGPCVMFVZBEI-SECBINFHSA-N 0 0 182.267 1.370 10 0 ADAERN Cn1cc(C[C@H]2CCCC[C@H]2O)cn1 50543708 169039726 /nfs/dbraw/zinc/03/97/26/169039726.db2.gz DHGVHCNVIFZWGB-GHMZBOCLSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc(C[C@@H]2CCCC[C@@H]2O)cn1 50543705 169039767 /nfs/dbraw/zinc/03/97/67/169039767.db2.gz DHGVHCNVIFZWGB-QWRGUYRKSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc(C[C@@](C)(O)C2CC2)cn1 50541494 169039788 /nfs/dbraw/zinc/03/97/88/169039788.db2.gz COOZQLFGCGSXJO-SNVBAGLBSA-N 0 0 180.251 1.124 10 0 ADAERN Cn1cc(CON)c2ccccc21 76601417 169039855 /nfs/dbraw/zinc/03/98/55/169039855.db2.gz ZFMCOTWRTAPRQB-UHFFFAOYSA-N 0 0 176.219 1.569 10 0 ADAERN Cn1cc(C[C@H]2CCC[C@@H]2O)cn1 50543666 169039922 /nfs/dbraw/zinc/03/99/22/169039922.db2.gz FLHIPPYPKPJXBP-ZJUUUORDSA-N 0 0 180.251 1.124 10 0 ADAERN Cn1cc(CO)ccc1=S 39124548 169039933 /nfs/dbraw/zinc/03/99/33/169039933.db2.gz VITBGGAAEMLVJR-UHFFFAOYSA-N 0 0 155.222 1.247 10 0 ADAERN Cn1cc(C[C@](C)(O)C2CC2)cn1 50541495 169039951 /nfs/dbraw/zinc/03/99/51/169039951.db2.gz COOZQLFGCGSXJO-JTQLQIEISA-N 0 0 180.251 1.124 10 0 ADAERN Cn1cc(C[C@H]2CCCCC2=O)cn1 50540485 169039994 /nfs/dbraw/zinc/03/99/94/169039994.db2.gz AHQMWTRHOSWUHE-SNVBAGLBSA-N 0 0 192.262 1.722 10 0 ADAERN Cn1cc(N)cc1C(=O)OC1CCC1 52146508 169040028 /nfs/dbraw/zinc/04/00/28/169040028.db2.gz RZXWFCOZFLHKBR-UHFFFAOYSA-N 0 0 194.234 1.317 10 0 ADAERN Cn1cc(Cl)c(Cn2cccn2)n1 335509409 169040147 /nfs/dbraw/zinc/04/01/47/169040147.db2.gz IBBLORFRKZLBLA-UHFFFAOYSA-N 0 0 196.641 1.318 10 0 ADAERN Cn1cc(C[C@@H]2CCC[C@H]2O)cn1 50543667 169040160 /nfs/dbraw/zinc/04/01/60/169040160.db2.gz FLHIPPYPKPJXBP-VHSXEESVSA-N 0 0 180.251 1.124 10 0 ADAERN Cn1cc(N2CCCC2)cn1 82712919 169040172 /nfs/dbraw/zinc/04/01/72/169040172.db2.gz WSEJKVTXOOCPMD-UHFFFAOYSA-N 0 0 151.213 1.020 10 0 ADAERN Cn1cc(Cn2cc[nH]c2=S)cn1 45135755 169040217 /nfs/dbraw/zinc/04/02/17/169040217.db2.gz VDVKLCYENHCOGF-UHFFFAOYSA-N 0 0 194.263 1.327 10 0 ADAERN Cn1cc(Cl)c(=O)c(Cl)c1 5424890 169040250 /nfs/dbraw/zinc/04/02/50/169040250.db2.gz KWMTUZNFKTWCJD-UHFFFAOYSA-N 0 0 178.018 1.692 10 0 ADAERN Cn1cc(CNO)c2ccccc21 82868945 169040286 /nfs/dbraw/zinc/04/02/86/169040286.db2.gz PKIWMZBXKXBDJQ-UHFFFAOYSA-N 0 0 176.219 1.657 10 0 ADAERN Cn1cc(C[C@@H]2CCCC[C@H]2O)cn1 50543707 169040301 /nfs/dbraw/zinc/04/03/01/169040301.db2.gz DHGVHCNVIFZWGB-WDEREUQCSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc(Cl)c(CN2CCCC2)n1 335545029 169040308 /nfs/dbraw/zinc/04/03/08/169040308.db2.gz QNNLSOYBKVBSQG-UHFFFAOYSA-N 0 0 199.685 1.669 10 0 ADAERN Cn1cc(CO)c2cc(F)ccc21 59731815 169040351 /nfs/dbraw/zinc/04/03/51/169040351.db2.gz GZJNPHTVPMVIBI-UHFFFAOYSA-N 0 0 179.194 1.810 10 0 ADAERN Cn1cc(Cn2cccc2)cn1 45136621 169040353 /nfs/dbraw/zinc/04/03/53/169040353.db2.gz GIRKPMADCKTCJV-UHFFFAOYSA-N 0 0 161.208 1.270 10 0 ADAERN Cn1cc(N)cc1C(=O)OCC1CC1 41086468 169040383 /nfs/dbraw/zinc/04/03/83/169040383.db2.gz ZXBLMPPTNGKGQP-UHFFFAOYSA-N 0 0 194.234 1.174 10 0 ADAERN Cn1cc(C[C@@H]2CCC[C@@H]2O)cn1 50543665 169040418 /nfs/dbraw/zinc/04/04/18/169040418.db2.gz FLHIPPYPKPJXBP-UWVGGRQHSA-N 0 0 180.251 1.124 10 0 ADAERN Cn1cc(Cl)c(C=O)c1 98108472 169040524 /nfs/dbraw/zinc/04/05/24/169040524.db2.gz YCQFVRXKJCUXEO-UHFFFAOYSA-N 0 0 143.573 1.491 10 0 ADAERN Cn1cc(Cl)c(C2OCCO2)n1 44230246 169040690 /nfs/dbraw/zinc/04/06/90/169040690.db2.gz NYQRKOVMLFSBPL-UHFFFAOYSA-N 0 0 188.614 1.119 10 0 ADAERN Cn1cc(Nc2ccccn2)cn1 35781640 169040983 /nfs/dbraw/zinc/04/09/83/169040983.db2.gz UIRHJZFFPGWTML-UHFFFAOYSA-N 0 0 174.207 1.559 10 0 ADAERN Cn1cc(S[C@H]2CCCC2=O)cn1 42406533 169041004 /nfs/dbraw/zinc/04/10/04/169041004.db2.gz DBCZSYZJCDFZHZ-VIFPVBQESA-N 0 0 196.275 1.634 10 0 ADAERN Cn1cc(NCc2cccs2)nn1 306225481 169041015 /nfs/dbraw/zinc/04/10/15/169041015.db2.gz GAUPSKNILKEJPY-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Cn1cc(NCC2(C)CCC2)nn1 306185760 169041044 /nfs/dbraw/zinc/04/10/44/169041044.db2.gz MVPDNMXYXVRAOF-UHFFFAOYSA-N 0 0 180.255 1.417 10 0 ADAERN Cn1cc(NCCO)c2ccccc21 77275368 169041048 /nfs/dbraw/zinc/04/10/48/169041048.db2.gz XYNPPUGRAXVNPV-UHFFFAOYSA-N 0 0 190.246 1.583 10 0 ADAERN Cn1cc(NC(N)=O)c2ccccc21 77274560 169041127 /nfs/dbraw/zinc/04/11/27/169041127.db2.gz QDRFTUYCMDORSC-UHFFFAOYSA-N 0 0 189.218 1.669 10 0 ADAERN Cn1cc([C@@H](O)c2ccsc2)cn1 42268736 169041230 /nfs/dbraw/zinc/04/12/30/169041230.db2.gz HYNWBQUIOYZHTL-VIFPVBQESA-N 0 0 194.259 1.563 10 0 ADAERN Cn1cc(NC2CCCC2)ccc1=O 37785421 169041262 /nfs/dbraw/zinc/04/12/62/169041262.db2.gz OQTRVRPFKWBSIS-UHFFFAOYSA-N 0 0 192.262 1.740 10 0 ADAERN Cn1cc([C@@H](O)C(C)(C)C)cn1 42268688 169041304 /nfs/dbraw/zinc/04/13/04/169041304.db2.gz ZDHMQHFJCVZOBN-MRVPVSSYSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1cc([C@@H](O)C2CCCC2)cn1 42268681 169041339 /nfs/dbraw/zinc/04/13/39/169041339.db2.gz LBCSAHKDJPFZBX-JTQLQIEISA-N 0 0 180.251 1.644 10 0 ADAERN Cn1cc(O)c2ccccc2c1=O 38891861 169041345 /nfs/dbraw/zinc/04/13/45/169041345.db2.gz ZEUALHUCQDKVFN-UHFFFAOYSA-N 0 0 175.187 1.244 10 0 ADAERN Cn1cc(S[C@@H]2CCCC2=O)cn1 42406531 169041357 /nfs/dbraw/zinc/04/13/57/169041357.db2.gz DBCZSYZJCDFZHZ-SECBINFHSA-N 0 0 196.275 1.634 10 0 ADAERN Cn1cc(O)c2ccccc21 103549803 169041424 /nfs/dbraw/zinc/04/14/24/169041424.db2.gz CGLJIJABFUYKIL-UHFFFAOYSA-N 0 0 147.177 1.884 10 0 in-vitro ADAERN Cn1cc(NC2CCC2)ccc1=O 44481817 169041441 /nfs/dbraw/zinc/04/14/41/169041441.db2.gz FEGSYVHICIVOIE-UHFFFAOYSA-N 0 0 178.235 1.350 10 0 ADAERN Cn1cc(Nc2cccc(O)c2)cn1 82714716 169041486 /nfs/dbraw/zinc/04/14/86/169041486.db2.gz VDYXNPAOHNPGJY-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN Cn1cc(Nc2ccc(F)cn2)cn1 41045392 169041509 /nfs/dbraw/zinc/04/15/09/169041509.db2.gz XINSRUOOMUKJDM-UHFFFAOYSA-N 0 0 192.197 1.698 10 0 ADAERN Cn1cc([C@@H](O)c2ccco2)cn1 48453780 169041526 /nfs/dbraw/zinc/04/15/26/169041526.db2.gz PNZFZIGVUZWQGM-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN Cn1cc(NCc2ccccc2)nn1 306500428 169041579 /nfs/dbraw/zinc/04/15/79/169041579.db2.gz XZUISZOFVRATFU-UHFFFAOYSA-N 0 0 188.234 1.427 10 0 ADAERN Cn1cc([C@@H](N)c2ccco2)cn1 35381527 169041612 /nfs/dbraw/zinc/04/16/12/169041612.db2.gz DFNHKBSFJRKIHP-SECBINFHSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1cc(SCCCCO)cn1 42406379 169041631 /nfs/dbraw/zinc/04/16/31/169041631.db2.gz LJGGOFJGIMZLQF-UHFFFAOYSA-N 0 0 186.280 1.285 10 0 ADAERN Cn1cc(NCc2ccco2)nn1 307205182 169041644 /nfs/dbraw/zinc/04/16/44/169041644.db2.gz GJRYBRLWJJZGMF-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN Cn1cc(NCc2ccc[nH]2)cn1 20351608 169041736 /nfs/dbraw/zinc/04/17/36/169041736.db2.gz PYBJXITWSCZORX-UHFFFAOYSA-N 0 0 176.223 1.360 10 0 ADAERN Cn1cc([C@@H](O)CO)c2ccccc21 71505714 169041758 /nfs/dbraw/zinc/04/17/58/169041758.db2.gz ZVVZPEFYAMXQRV-NSHDSACASA-N 0 0 191.230 1.204 10 0 ADAERN Cn1cc(Nc2ccc(O)cc2)cn1 82714767 169041783 /nfs/dbraw/zinc/04/17/83/169041783.db2.gz OTXDRYVIGDWZJN-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN Cn1cc(Nc2ccccc2O)cn1 82714669 169041791 /nfs/dbraw/zinc/04/17/91/169041791.db2.gz NBIQWSXZYXCRBP-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN Cn1cc(S[C@H]2CCC[C@@H]2O)cn1 42406386 169041793 /nfs/dbraw/zinc/04/17/93/169041793.db2.gz VKODEHSJDIOAFK-IUCAKERBSA-N 0 0 198.291 1.426 10 0 ADAERN Cn1cc(NCc2ccsc2)nn1 307068622 169041840 /nfs/dbraw/zinc/04/18/40/169041840.db2.gz XBAFYDXNUZLEAN-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Cn1cc(SCC(C)(C)O)cn1 42406373 169041931 /nfs/dbraw/zinc/04/19/31/169041931.db2.gz NCUSJNCOKYHTKL-UHFFFAOYSA-N 0 0 186.280 1.283 10 0 ADAERN Cn1cc(S[C@@H]2CCC[C@@H]2O)cn1 42406384 169041937 /nfs/dbraw/zinc/04/19/37/169041937.db2.gz VKODEHSJDIOAFK-DTWKUNHWSA-N 0 0 198.291 1.426 10 0 ADAERN Cn1cc(NC(=O)OC(C)(C)C)nn1 39091195 169041941 /nfs/dbraw/zinc/04/19/41/169041941.db2.gz OCMOWIMTSNSWKE-UHFFFAOYSA-N 0 0 198.226 1.162 10 0 ADAERN Cn1cc([C@@H](O)c2cccs2)cn1 42268731 169041944 /nfs/dbraw/zinc/04/19/44/169041944.db2.gz QEZUSKGPTOELKN-SECBINFHSA-N 0 0 194.259 1.563 10 0 ADAERN Cn1cc([C@@](C)(O)C(F)(F)F)cn1 75846225 169042013 /nfs/dbraw/zinc/04/20/13/169042013.db2.gz RHTZAGZNZALZFR-ZCFIWIBFSA-N 0 0 194.156 1.190 10 0 ADAERN Cn1cc(NCC(C)(C)C)ccc1=O 41051436 169042073 /nfs/dbraw/zinc/04/20/73/169042073.db2.gz QDVOKNDBBHEYKD-UHFFFAOYSA-N 0 0 194.278 1.843 10 0 ADAERN Cn1cc(NCC2CC2)ccc1=O 37785797 169042097 /nfs/dbraw/zinc/04/20/97/169042097.db2.gz OJOFDORFWKJLSD-UHFFFAOYSA-N 0 0 178.235 1.207 10 0 ADAERN Cn1cc([C@H](N)c2ccco2)cn1 35381525 169042107 /nfs/dbraw/zinc/04/21/07/169042107.db2.gz DFNHKBSFJRKIHP-VIFPVBQESA-N 0 0 177.207 1.061 10 0 ADAERN Cn1cc(Nc2cccnc2)cn1 82714514 169042111 /nfs/dbraw/zinc/04/21/11/169042111.db2.gz LNBIOIOTRMNARH-UHFFFAOYSA-N 0 0 174.207 1.559 10 0 ADAERN Cn1cc(NC2=NCCCS2)cn1 35738150 169042244 /nfs/dbraw/zinc/04/22/44/169042244.db2.gz NRRXOUQCHQRMTR-UHFFFAOYSA-N 0 0 196.279 1.325 10 0 ADAERN Cn1cc(S[C@@H]2CCC[C@H]2O)cn1 42406388 169042254 /nfs/dbraw/zinc/04/22/54/169042254.db2.gz VKODEHSJDIOAFK-RKDXNWHRSA-N 0 0 198.291 1.426 10 0 ADAERN Cn1cc(S[C@H]2CCC[C@H]2O)cn1 42406390 169042325 /nfs/dbraw/zinc/04/23/25/169042325.db2.gz VKODEHSJDIOAFK-BDAKNGLRSA-N 0 0 198.291 1.426 10 0 ADAERN Cn1cc(NC(C)(C)C)cn1 82712685 169042378 /nfs/dbraw/zinc/04/23/78/169042378.db2.gz LEISJIBGEGIVLC-UHFFFAOYSA-N 0 0 153.229 1.631 10 0 ADAERN Cn1cc([C@@H](O)CC(F)(F)F)cn1 42268676 169042443 /nfs/dbraw/zinc/04/24/43/169042443.db2.gz AQGFMFOWHAPHLG-LURJTMIESA-N 0 0 194.156 1.406 10 0 ADAERN Cn1ccc(-c2cc(N)no2)c1 82522601 169042698 /nfs/dbraw/zinc/04/26/98/169042698.db2.gz WLJWXPXLCDAQJL-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1cc2ccc(F)c(C=O)c2n1 75844298 169042713 /nfs/dbraw/zinc/04/27/13/169042713.db2.gz XYIBMMIUZRXYMZ-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cn1ccc(-c2ccncc2)cc1=O 34156305 169042776 /nfs/dbraw/zinc/04/27/76/169042776.db2.gz RLMXNQOQTAOUAP-UHFFFAOYSA-N 0 0 186.214 1.447 10 0 ADAERN Cn1cc2ccc(F)c(N)c2n1 75843758 169042812 /nfs/dbraw/zinc/04/28/12/169042812.db2.gz UDARBZJYOKGQMK-UHFFFAOYSA-N 0 0 165.171 1.295 10 0 ADAERN Cn1cc([C@](C)(O)C(F)(F)F)cn1 75846226 169042834 /nfs/dbraw/zinc/04/28/34/169042834.db2.gz RHTZAGZNZALZFR-LURJTMIESA-N 0 0 194.156 1.190 10 0 ADAERN Cn1cc2c(n1)c(N)nc1ccccc12 72170927 169042869 /nfs/dbraw/zinc/04/28/69/169042869.db2.gz NAHWTPDGGZIVRF-UHFFFAOYSA-N 0 0 198.229 1.704 10 0 ADAERN Cn1cc2c(c1)CN=NC2 39078188 169042901 /nfs/dbraw/zinc/04/29/01/169042901.db2.gz SFMXFIYCOHBQNL-UHFFFAOYSA-N 0 0 135.170 1.491 10 0 ADAERN Cn1ccc(-c2ccc(C=O)nn2)c1 71499998 169042939 /nfs/dbraw/zinc/04/29/39/169042939.db2.gz OQHAAJIMXJHWDR-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN Cn1cc2c(C=O)c(F)ccc2n1 82397976 169042946 /nfs/dbraw/zinc/04/29/46/169042946.db2.gz GZEKNAZVUIJBST-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cn1cc2cc(C(N)=S)ccc2n1 76188995 169042965 /nfs/dbraw/zinc/04/29/65/169042965.db2.gz KPDCCBFNVMGPQM-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1ccc(-c2cnnc(Cl)n2)c1 82530876 169042993 /nfs/dbraw/zinc/04/29/93/169042993.db2.gz VNPOIQMYBCTQFF-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1cc2cnc(Cl)nc2n1 299889982 169043006 /nfs/dbraw/zinc/04/30/06/169043006.db2.gz RWQMQYHYEIKJEI-UHFFFAOYSA-N 0 0 168.587 1.017 10 0 ADAERN Cn1ccc(-c2cnoc2N)c1 82522600 169043015 /nfs/dbraw/zinc/04/30/15/169043015.db2.gz ITFDFSKEFFCXQT-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1cc([C@H](O)c2cccs2)cn1 42268728 169043022 /nfs/dbraw/zinc/04/30/22/169043022.db2.gz QEZUSKGPTOELKN-VIFPVBQESA-N 0 0 194.259 1.563 10 0 ADAERN Cn1cc2cccnc2c1 72231221 169043035 /nfs/dbraw/zinc/04/30/35/169043035.db2.gz JKXSBDMPIXJVHW-UHFFFAOYSA-N 0 0 132.166 1.573 10 0 ADAERN Cn1cc2c(C=O)ccc(F)c2n1 82397977 169043061 /nfs/dbraw/zinc/04/30/61/169043061.db2.gz JVTQANIPELEWKF-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cn1ccc(-c2coc(N)n2)c1 71495700 169043143 /nfs/dbraw/zinc/04/31/43/169043143.db2.gz YJHWEAGKVJISSL-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1ccc(-c2ccc(N)nn2)c1 82529314 169043161 /nfs/dbraw/zinc/04/31/61/169043161.db2.gz PXPDASWGZXTIRH-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1cc2cccc(C(N)=S)c2n1 76188998 169043279 /nfs/dbraw/zinc/04/32/79/169043279.db2.gz GJKGGSZZHQCZJN-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1ccc(-c2ccnc(N)n2)c1 71496793 169043405 /nfs/dbraw/zinc/04/34/05/169043405.db2.gz JTHOXTBDVFOIIJ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1ccc(-c2cc[nH]c(=S)n2)n1 2538090 169043435 /nfs/dbraw/zinc/04/34/35/169043435.db2.gz GBFVAPRARGUMSN-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc2ncnc(Cl)c2n1 85391694 169043444 /nfs/dbraw/zinc/04/34/44/169043444.db2.gz ZXVUORXEWWBPEP-UHFFFAOYSA-N 0 0 168.587 1.017 10 0 ADAERN Cn1cc([C@H](O)CC(F)(F)F)cn1 42268673 169043459 /nfs/dbraw/zinc/04/34/59/169043459.db2.gz AQGFMFOWHAPHLG-ZCFIWIBFSA-N 0 0 194.156 1.406 10 0 ADAERN Cn1cc([C@H](O)c2ccco2)cn1 48453777 169043480 /nfs/dbraw/zinc/04/34/80/169043480.db2.gz PNZFZIGVUZWQGM-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN Cn1cc2occc2cc1=O 39080018 169043482 /nfs/dbraw/zinc/04/34/82/169043482.db2.gz VRWBZASUGSBDMW-UHFFFAOYSA-N 0 0 149.149 1.132 10 0 ADAERN Cn1cc([C@H](O)C2CCCC2)cn1 42268678 169043504 /nfs/dbraw/zinc/04/35/04/169043504.db2.gz LBCSAHKDJPFZBX-SNVBAGLBSA-N 0 0 180.251 1.644 10 0 ADAERN Cn1cc([C@H](O)CO)c2ccccc21 71505713 169043514 /nfs/dbraw/zinc/04/35/14/169043514.db2.gz ZVVZPEFYAMXQRV-LLVKDONJSA-N 0 0 191.230 1.204 10 0 ADAERN Cn1ccc(-c2coc(CN)n2)c1 71497175 169043515 /nfs/dbraw/zinc/04/35/15/169043515.db2.gz AIIRIZVIINVNOY-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN Cn1cc2c(c1)C(=O)CCC2 82408607 169043518 /nfs/dbraw/zinc/04/35/18/169043518.db2.gz ALKAATBPDHYIFW-UHFFFAOYSA-N 0 0 149.193 1.544 10 0 ADAERN Cn1ccc(-c2cc(N)ncn2)c1 71496797 169043546 /nfs/dbraw/zinc/04/35/46/169043546.db2.gz CKIBZCSUOIRCBN-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1cc2ccc(C(N)=S)cc2n1 76188997 169043553 /nfs/dbraw/zinc/04/35/53/169043553.db2.gz DCUYDOOOSHDHKW-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1ccc(-c2cc(N)on2)c1 82522599 169043574 /nfs/dbraw/zinc/04/35/74/169043574.db2.gz AMSKWQKOWGFMRD-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1ccc(-c2cc(N)nn2C)c1 82529380 169043676 /nfs/dbraw/zinc/04/36/76/169043676.db2.gz GOXLOMNLEFZJGN-UHFFFAOYSA-N 0 0 176.223 1.008 10 0 ADAERN Cn1cc2c(C(N)=S)cccc2n1 76189001 169043699 /nfs/dbraw/zinc/04/36/99/169043699.db2.gz VFNRYJFCTHWXHT-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1cc([C@H](O)C(C)(C)C)cn1 42268690 169043867 /nfs/dbraw/zinc/04/38/67/169043867.db2.gz ZDHMQHFJCVZOBN-QMMMGPOBSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1ccc(-c2csc(=NN)[nH]2)c1 71506774 169043880 /nfs/dbraw/zinc/04/38/80/169043880.db2.gz RYBJLEUTGNYYNN-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cn1ccc(-c2cccc(CO)c2)n1 12370658 169043915 /nfs/dbraw/zinc/04/39/15/169043915.db2.gz IFFXGZCJGGVFOF-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 in-vitro ADAERN Cn1ccc(-c2cnc(CN)o2)c1 71497178 169043930 /nfs/dbraw/zinc/04/39/30/169043930.db2.gz QXPNBQFVNNIOIG-UHFFFAOYSA-N 0 0 177.207 1.139 10 0 ADAERN Cn1cc2c(c1)CNC=C2 100228528 169043973 /nfs/dbraw/zinc/04/39/73/169043973.db2.gz ZRXCWHWFOSYHFU-UHFFFAOYSA-N 0 0 134.182 1.099 10 0 ADAERN Cn1ccc(-c2csc(N)n2)n1 15936734 169044005 /nfs/dbraw/zinc/04/40/05/169044005.db2.gz NTDWRVIUUPVACF-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cc2ccccc2c1C=O 39063435 169044009 /nfs/dbraw/zinc/04/40/09/169044009.db2.gz QTPCSAWJJSPJLQ-UHFFFAOYSA-N 0 0 159.188 1.991 10 0 ADAERN Cn1cc2c(n1)c(=O)[nH]c1ccccc12 72170995 169044010 /nfs/dbraw/zinc/04/40/10/169044010.db2.gz ONQSELGPEBXWIK-UHFFFAOYSA-N 0 0 199.213 1.415 10 0 ADAERN Cn1cc2c(=O)[nH]nc-2c2ccccc21 103648896 169044037 /nfs/dbraw/zinc/04/40/37/169044037.db2.gz HVKQPYGMXZCOGU-UHFFFAOYSA-N 0 0 199.213 1.366 10 0 ADAERN Cn1cc([C@H](O)c2ccsc2)cn1 42268733 169044048 /nfs/dbraw/zinc/04/40/48/169044048.db2.gz HYNWBQUIOYZHTL-SECBINFHSA-N 0 0 194.259 1.563 10 0 ADAERN Cn1ccc(-c2cnc(N)o2)c1 71495699 169044057 /nfs/dbraw/zinc/04/40/57/169044057.db2.gz DVQSQXWOJBBBAQ-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1ccc(C(=O)c2cccnc2)c1 71499773 169044249 /nfs/dbraw/zinc/04/42/49/169044249.db2.gz HOGFSNHIEWALNU-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1ccc(-c2ncc(N)cn2)c1 71496795 169044289 /nfs/dbraw/zinc/04/42/89/169044289.db2.gz FBRZYCZZLSIQAP-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1ccc(CCC(C)(C)O)c1 82529084 169044304 /nfs/dbraw/zinc/04/43/04/169044304.db2.gz LREQJUNXEUOYCN-UHFFFAOYSA-N 0 0 167.252 1.729 10 0 ADAERN Cn1ccc(C(C)(C)CO)c1 71495493 169044307 /nfs/dbraw/zinc/04/43/07/169044307.db2.gz RDTROEORDUGQRZ-UHFFFAOYSA-N 0 0 153.225 1.295 10 0 ADAERN Cn1ccc(-c2nc(N)sc2N)c1 82530807 169044308 /nfs/dbraw/zinc/04/43/08/169044308.db2.gz DQYOSUHTQWIJAD-UHFFFAOYSA-N 0 0 194.263 1.313 10 0 ADAERN Cn1ccc(C2N=NC(=S)S2)n1 26549563 169044325 /nfs/dbraw/zinc/04/43/25/169044325.db2.gz HHFQSPXIWZRDKC-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN Cn1ccc(C(=O)Cn2ccnc2)c1 37340512 169044376 /nfs/dbraw/zinc/04/43/76/169044376.db2.gz KUBQFUMUZFXHNN-UHFFFAOYSA-N 0 0 189.218 1.105 10 0 ADAERN Cn1ccc(C=O)c1Cl 82409293 169044458 /nfs/dbraw/zinc/04/44/58/169044458.db2.gz FMRQGNPQASGSKN-UHFFFAOYSA-N 0 0 143.573 1.491 10 0 ADAERN Cn1ccc(C(=O)N[C@@H]2CC23CC3)c1 335109688 169044509 /nfs/dbraw/zinc/04/45/09/169044509.db2.gz BTVWILTUZMRTCX-SECBINFHSA-N 0 0 190.246 1.307 10 0 ADAERN Cn1ccc(-c2nnc(CN)s2)c1 82530808 169044523 /nfs/dbraw/zinc/04/45/23/169044523.db2.gz SRFILCDPTRNWOZ-UHFFFAOYSA-N 0 0 194.263 1.002 10 0 ADAERN Cn1ccc(=S)n2nccc12 27708435 169044569 /nfs/dbraw/zinc/04/45/69/169044569.db2.gz DPGLDBBFCNYRDY-UHFFFAOYSA-N 0 0 165.221 1.402 10 0 ADAERN Cn1ccc(C(=O)Cn2cccn2)c1 37340778 169044596 /nfs/dbraw/zinc/04/45/96/169044596.db2.gz GBHHOCKUGRDQLN-UHFFFAOYSA-N 0 0 189.218 1.105 10 0 ADAERN Cn1ccc(CNC(=O)C2=CCC2)c1 334964942 169044611 /nfs/dbraw/zinc/04/46/11/169044611.db2.gz MGEIZIXNDBHISX-UHFFFAOYSA-N 0 0 190.246 1.362 10 0 ADAERN Cn1ccc(CCCCO)c1 82522466 169044616 /nfs/dbraw/zinc/04/46/16/169044616.db2.gz KEUGBMSHXNCEEX-UHFFFAOYSA-N 0 0 153.225 1.340 10 0 ADAERN Cn1ccc(CN2CC[C@](C)(F)C2)n1 334303222 169044645 /nfs/dbraw/zinc/04/46/45/169044645.db2.gz BHRZQTFILUIQFF-JTQLQIEISA-N 0 0 197.257 1.354 10 0 ADAERN Cn1ccc(C(=O)c2ccco2)c1 71496872 169044690 /nfs/dbraw/zinc/04/46/90/169044690.db2.gz OCLBHVPBFRSFBG-UHFFFAOYSA-N 0 0 175.187 1.849 10 0 ADAERN Cn1ccc(C(=O)c2ccccc2)n1 34061001 169044742 /nfs/dbraw/zinc/04/47/42/169044742.db2.gz RSGSZAGPPJCMLR-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1ccc(/C=C\[N+](=O)[O-])c1 198994775 169044941 /nfs/dbraw/zinc/04/49/41/169044941.db2.gz DWOAUEGOUSUOMV-HYXAFXHYSA-N 0 0 152.153 1.273 10 0 ADAERN Cn1ccc(-c2ncsc2N)c1 82529566 169044962 /nfs/dbraw/zinc/04/49/62/169044962.db2.gz NOVYIGUFJOYEHJ-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Cn1ccc(/C=C/[N+](=O)[O-])c1 85590091 169044963 /nfs/dbraw/zinc/04/49/63/169044963.db2.gz DWOAUEGOUSUOMV-HWKANZROSA-N 0 0 152.153 1.273 10 0 ADAERN Cn1ccc(C(=O)N[C@H]2CC23CC3)c1 335109690 169044970 /nfs/dbraw/zinc/04/49/70/169044970.db2.gz BTVWILTUZMRTCX-VIFPVBQESA-N 0 0 190.246 1.307 10 0 ADAERN Cn1ccc(-n2cc[nH]c2=S)n1 34257647 169045010 /nfs/dbraw/zinc/04/50/10/169045010.db2.gz HAFFZINXWUDXCB-UHFFFAOYSA-N 0 0 180.236 1.268 10 0 ADAERN Cn1ccc(CN2CC(F)C2)c1 306398724 169045020 /nfs/dbraw/zinc/04/50/20/169045020.db2.gz JSJRDJNDYJPIRQ-UHFFFAOYSA-N 0 0 168.215 1.179 10 0 ADAERN Cn1ccc(CN2CCC=C(F)C2)n1 336377921 169045114 /nfs/dbraw/zinc/04/51/14/169045114.db2.gz DKHMCSTXSBEXQH-UHFFFAOYSA-N 0 0 195.241 1.479 10 0 ADAERN Cn1ccc(C(=O)N[C@@H]2CC2(C)C)c1 335832137 169045237 /nfs/dbraw/zinc/04/52/37/169045237.db2.gz BEXWVHBOPXEKAY-SECBINFHSA-N 0 0 192.262 1.553 10 0 ADAERN Cn1ccc(C(=O)C2CC2)c1 71495370 169045312 /nfs/dbraw/zinc/04/53/12/169045312.db2.gz ZMIIUMNKGGHSFB-UHFFFAOYSA-N 0 0 149.193 1.618 10 0 ADAERN Cn1ccc(C(=O)COC2CCC2)c1 50520779 169045404 /nfs/dbraw/zinc/04/54/04/169045404.db2.gz TWNUWYSKADTIEF-UHFFFAOYSA-N 0 0 193.246 1.777 10 0 ADAERN Cn1ccc(CN2CCC23CCC3)n1 334307330 169045416 /nfs/dbraw/zinc/04/54/16/169045416.db2.gz JCYZHJQIKSHVJB-UHFFFAOYSA-N 0 0 191.278 1.549 10 0 ADAERN Cn1ccc(C(=O)CN2CCCC2)c1 35021151 169045499 /nfs/dbraw/zinc/04/54/99/169045499.db2.gz JCTKGMYTONYVLV-UHFFFAOYSA-N 0 0 192.262 1.304 10 0 ADAERN Cn1ccc(CNCc2ccc[nH]2)n1 20351106 169045604 /nfs/dbraw/zinc/04/56/04/169045604.db2.gz KOWKLXDMNWHKAS-UHFFFAOYSA-N 0 0 190.250 1.038 10 0 ADAERN Cn1ccc(C(=O)c2ccccn2)c1 71499771 169045621 /nfs/dbraw/zinc/04/56/21/169045621.db2.gz HHNCHCUCXXVDIS-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1ccc(-c2nccc(N)n2)c1 71496799 169045716 /nfs/dbraw/zinc/04/57/16/169045716.db2.gz UOZXVBCKPRZTIZ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1ccc(CNC(=O)C(C)(C)C)n1 124866074 169045753 /nfs/dbraw/zinc/04/57/53/169045753.db2.gz DADCTPHQNZPZLC-UHFFFAOYSA-N 0 0 195.266 1.082 10 0 ADAERN Cn1ccc(CN2CC[C@@](C)(F)C2)n1 334303240 169045778 /nfs/dbraw/zinc/04/57/78/169045778.db2.gz BHRZQTFILUIQFF-SNVBAGLBSA-N 0 0 197.257 1.354 10 0 ADAERN Cn1ccc(C(=O)c2ccncc2)c1 71499775 169045781 /nfs/dbraw/zinc/04/57/81/169045781.db2.gz PIAWYYFMPUDTCV-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1ccc(N2CCCCC2=N)n1 49584254 169046112 /nfs/dbraw/zinc/04/61/12/169046112.db2.gz XTSOKRYNDSJKOQ-UHFFFAOYSA-N 0 0 178.239 1.388 10 0 ADAERN Cn1ccc2c(O)c(C=O)ccc21 76600705 169046325 /nfs/dbraw/zinc/04/63/25/169046325.db2.gz AFEFIZOINRFVJY-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Cn1ccc(NCc2ccc[nH]2)n1 20351588 169046333 /nfs/dbraw/zinc/04/63/33/169046333.db2.gz MUKQZJFUNIAQEK-UHFFFAOYSA-N 0 0 176.223 1.360 10 0 ADAERN Cn1ccc2c1C(=O)CCC2 36404090 169046340 /nfs/dbraw/zinc/04/63/40/169046340.db2.gz PRHGWZFYDVSVJU-UHFFFAOYSA-N 0 0 149.193 1.544 10 0 ADAERN Cn1ccc(NC2=NCCCS2)n1 37471983 169046397 /nfs/dbraw/zinc/04/63/97/169046397.db2.gz OSQMSOPEIKFFKW-UHFFFAOYSA-N 0 0 196.279 1.325 10 0 ADAERN Cn1ccc(COc2ccccc2)n1 124552348 169046432 /nfs/dbraw/zinc/04/64/32/169046432.db2.gz QCZVIYCJIWFBOT-UHFFFAOYSA-N 0 0 188.230 1.999 10 0 ADAERN Cn1ccc([Si](C)(C)C)c1 196051989 169046505 /nfs/dbraw/zinc/04/65/05/169046505.db2.gz GUZNHJCVILLRSF-UHFFFAOYSA-N 0 0 153.301 1.570 10 0 ADAERN Cn1ccc(CSc2ncco2)n1 307109920 169046582 /nfs/dbraw/zinc/04/65/82/169046582.db2.gz KNWJYTODMJXSHS-UHFFFAOYSA-N 0 0 195.247 1.700 10 0 ADAERN Cn1ccc(NC[C@@H]2CCC=CO2)n1 50269120 169046747 /nfs/dbraw/zinc/04/67/47/169046747.db2.gz NBFVMTDPXYDTAJ-VIFPVBQESA-N 0 0 193.250 1.525 10 0 ADAERN Cn1ccc2c(CO)c(Cl)cnc21 222935380 169046839 /nfs/dbraw/zinc/04/68/39/169046839.db2.gz UIKFYQDOLRMMQQ-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN Cn1ccc(CNc2cc[nH]n2)c1 76601494 169046891 /nfs/dbraw/zinc/04/68/91/169046891.db2.gz INOKSSZSAJFTKD-UHFFFAOYSA-N 0 0 176.223 1.360 10 0 ADAERN Cn1ccc(Nc2ccccc2O)n1 2922 169047041 /nfs/dbraw/zinc/04/70/41/169047041.db2.gz YNLDOCYALPXWOV-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN Cn1ccc([C@H](O)c2ccccc2)n1 38523546 169047050 /nfs/dbraw/zinc/04/70/50/169047050.db2.gz LBGQIQUDQOSVFZ-LLVKDONJSA-N 0 0 188.230 1.502 10 0 ADAERN Cn1ccc2c(C=O)ccnc21 165754463 169047063 /nfs/dbraw/zinc/04/70/63/169047063.db2.gz WZZQPQQMSCHECB-UHFFFAOYSA-N 0 0 160.176 1.386 10 0 ADAERN Cn1ccc(CSc2ncc[nH]2)n1 306350821 169047101 /nfs/dbraw/zinc/04/71/01/169047101.db2.gz WODVLXKBGPDHSW-UHFFFAOYSA-N 0 0 194.263 1.436 10 0 ADAERN Cn1ccc(NC[C@H]2CCC=CO2)n1 50269121 169047143 /nfs/dbraw/zinc/04/71/43/169047143.db2.gz NBFVMTDPXYDTAJ-SECBINFHSA-N 0 0 193.250 1.525 10 0 ADAERN Cn1ccc([C@@H](O)c2ccccc2)n1 38523547 169047211 /nfs/dbraw/zinc/04/72/11/169047211.db2.gz LBGQIQUDQOSVFZ-NSHDSACASA-N 0 0 188.230 1.502 10 0 ADAERN Cn1ccc2[nH]c(=O)[nH]c(=S)c21 17131021 169047228 /nfs/dbraw/zinc/04/72/28/169047228.db2.gz UAEJHLHUUJIFHU-UHFFFAOYSA-N 0 0 181.220 1.336 10 0 ADAERN Cn1ccc2c(C=O)c(O)ccc21 76600716 169047242 /nfs/dbraw/zinc/04/72/42/169047242.db2.gz MQOJCIAICRGFHT-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Cn1ccc2c(C=O)cncc21 82405331 169047253 /nfs/dbraw/zinc/04/72/53/169047253.db2.gz FMJXSGIOMNYLPH-UHFFFAOYSA-N 0 0 160.176 1.386 10 0 ADAERN Cn1ccc(Cn2cc(Cl)cn2)n1 334152523 169047259 /nfs/dbraw/zinc/04/72/59/169047259.db2.gz XFMBXKNSOXNFOJ-UHFFFAOYSA-N 0 0 196.641 1.318 10 0 ADAERN Cn1ccc(COc2ccncc2)n1 335769999 169047290 /nfs/dbraw/zinc/04/72/90/169047290.db2.gz FUQSIVXAJWNAIX-UHFFFAOYSA-N 0 0 189.218 1.394 10 0 ADAERN Cn1ccc2c1CCC2 34477190 169047451 /nfs/dbraw/zinc/04/74/51/169047451.db2.gz HWLONZNXZKASKN-UHFFFAOYSA-N 0 0 121.183 1.514 10 0 ADAERN Cn1cccc1-c1nccn1C 38324872 169047454 /nfs/dbraw/zinc/04/74/54/169047454.db2.gz UJBFPRTXPCZEDM-UHFFFAOYSA-N 0 0 161.208 1.426 10 0 ADAERN Cn1cccc1C1N=NC(=S)N1 77268382 169047457 /nfs/dbraw/zinc/04/74/57/169047457.db2.gz IKAIZIDTYGPIBZ-UHFFFAOYSA-N 0 0 180.236 1.099 10 0 ADAERN Cn1cccc1C(=O)N[C@H]1CC12CC2 335105735 169047504 /nfs/dbraw/zinc/04/75/04/169047504.db2.gz YULXUPZPAHNVJU-VIFPVBQESA-N 0 0 190.246 1.307 10 0 ADAERN Cn1cccc1C(=O)N[C@@H]1CC12CC2 335105734 169047578 /nfs/dbraw/zinc/04/75/78/169047578.db2.gz YULXUPZPAHNVJU-SECBINFHSA-N 0 0 190.246 1.307 10 0 ADAERN Cn1ccc2cc(C(=O)CN)ccc21 82321243 169047636 /nfs/dbraw/zinc/04/76/36/169047636.db2.gz ZPUKQNJGIWVMPF-UHFFFAOYSA-N 0 0 188.230 1.320 10 0 ADAERN Cn1ccc2cccc(C(N)=O)c21 147926793 169047646 /nfs/dbraw/zinc/04/76/46/169047646.db2.gz MBIWMNVHULWRMU-UHFFFAOYSA-N 0 0 174.203 1.277 10 0 ADAERN Cn1ccc2cc(N)ncc21 66259917 169047650 /nfs/dbraw/zinc/04/76/50/169047650.db2.gz XPGBLTMNJKIDNL-UHFFFAOYSA-N 0 0 147.181 1.156 10 0 ADAERN Cn1cccc1C(=O)c1ccc[nH]1 15779812 169047689 /nfs/dbraw/zinc/04/76/89/169047689.db2.gz XXFUZSNSOUITKN-UHFFFAOYSA-N 0 0 174.203 1.584 10 0 ADAERN Cn1cccc/c1=N\C1CC1 39079834 169047775 /nfs/dbraw/zinc/04/77/75/169047775.db2.gz OHRIYBIBENUJCI-MDZDMXLPSA-N 0 0 148.209 1.088 10 0 ADAERN Cn1ccc2ccn(C)c21 39078106 169047779 /nfs/dbraw/zinc/04/77/79/169047779.db2.gz OZDMHXGPACZAQK-UHFFFAOYSA-N 0 0 134.182 1.517 10 0 ADAERN Cn1ccc2c1CCC[C@H]2O 41713025 169047909 /nfs/dbraw/zinc/04/79/09/169047909.db2.gz VLJNEYMMVLUKRM-SECBINFHSA-N 0 0 151.209 1.395 10 0 ADAERN Cn1ccc2c1CCC[C@@H]2O 41713021 169047921 /nfs/dbraw/zinc/04/79/21/169047921.db2.gz VLJNEYMMVLUKRM-VIFPVBQESA-N 0 0 151.209 1.395 10 0 ADAERN Cn1cccc1-c1cnc(CO)s1 83250391 169047966 /nfs/dbraw/zinc/04/79/66/169047966.db2.gz NPVAVMOOSXFPBL-UHFFFAOYSA-N 0 0 194.259 1.641 10 0 ADAERN Cn1ccc2cc(C=O)ncc21 39060502 169047977 /nfs/dbraw/zinc/04/79/77/169047977.db2.gz MAFSLBPTVMXOIN-UHFFFAOYSA-N 0 0 160.176 1.386 10 0 ADAERN Cn1cccc(C=O)c1=S 6072422 169048025 /nfs/dbraw/zinc/04/80/25/169048025.db2.gz ZZCGVTVQKZIRBZ-UHFFFAOYSA-N 0 0 153.206 1.567 10 0 ADAERN Cn1cccc1C(=O)c1ccco1 5756589 169048057 /nfs/dbraw/zinc/04/80/57/169048057.db2.gz YWRQWAPRRRVFPQ-UHFFFAOYSA-N 0 0 175.187 1.849 10 0 ADAERN Cn1cccc1-c1csc(C=O)n1 77276920 169048081 /nfs/dbraw/zinc/04/80/81/169048081.db2.gz OEFWDSXYGQHCED-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN Cn1cccc1-c1nc2cc[nH]cc-2n1 45815014 169048084 /nfs/dbraw/zinc/04/80/84/169048084.db2.gz RHCLLSALWHTOTG-UHFFFAOYSA-N 0 0 198.229 1.963 10 0 ADAERN Cn1ccc2occc21 34624862 169048112 /nfs/dbraw/zinc/04/81/12/169048112.db2.gz NCZRISKQRHFNSG-UHFFFAOYSA-N 0 0 121.139 1.771 10 0 ADAERN Cn1cccc/c1=N/C1CC1 100230669 169048124 /nfs/dbraw/zinc/04/81/24/169048124.db2.gz OHRIYBIBENUJCI-KTKRTIGZSA-N 0 0 148.209 1.088 10 0 ADAERN Cn1ccc2nccc-2c1 100098825 169048148 /nfs/dbraw/zinc/04/81/48/169048148.db2.gz QETPKFBGMHZSJS-UHFFFAOYSA-N 0 0 132.166 1.525 10 0 ADAERN Cn1cccc1C(=O)c1ccncc1 84449826 169048184 /nfs/dbraw/zinc/04/81/84/169048184.db2.gz KYSDPZONASFDIY-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1ccc2ncsc21 299889061 169048200 /nfs/dbraw/zinc/04/82/00/169048200.db2.gz CXAGKVVQJYVLSQ-UHFFFAOYSA-N 0 0 138.195 1.635 10 0 ADAERN Cn1ccc2c1ccn2C 18742281 169048204 /nfs/dbraw/zinc/04/82/04/169048204.db2.gz SMGMWCZRQXEQBR-UHFFFAOYSA-N 0 0 134.182 1.517 10 0 ADAERN Cn1ccc2cc(CCO)ccc21 82399079 169048255 /nfs/dbraw/zinc/04/82/55/169048255.db2.gz YFWPOUZLJQFZOX-UHFFFAOYSA-N 0 0 175.231 1.713 10 0 ADAERN Cn1ccc2c1CC=CC2 26057541 169048258 /nfs/dbraw/zinc/04/82/58/169048258.db2.gz XRZGSFPTZJKBGN-UHFFFAOYSA-N 0 0 133.194 1.680 10 0 ADAERN Cn1ccc2ccc(O)c(C=O)c21 76600713 169048311 /nfs/dbraw/zinc/04/83/11/169048311.db2.gz NAHRJLGKSNVTOJ-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Cn1cccc1C(=O)Cn1ccnc1 35052313 169048377 /nfs/dbraw/zinc/04/83/77/169048377.db2.gz LQQKCISYCAZGJR-UHFFFAOYSA-N 0 0 189.218 1.105 10 0 ADAERN Cn1ccc2c1CCCC2 26056761 169048383 /nfs/dbraw/zinc/04/83/83/169048383.db2.gz WOJNPXDLJUEHGP-UHFFFAOYSA-N 0 0 135.210 1.904 10 0 ADAERN Cn1cccc1-c1cc[nH]n1 71980947 169048445 /nfs/dbraw/zinc/04/84/45/169048445.db2.gz FPNQVXCMJLBWFY-UHFFFAOYSA-N 0 0 147.181 1.415 10 0 ADAERN Cn1ccc2ccc(C=O)c(O)c21 82399198 169048477 /nfs/dbraw/zinc/04/84/77/169048477.db2.gz QKCVFRCJRXKCHU-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Cn1cccc1C(=O)c1ccccn1 6828347 169048603 /nfs/dbraw/zinc/04/86/03/169048603.db2.gz XXZYKHPEXBRPFO-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1cccc1C(F)F 103011777 169048667 /nfs/dbraw/zinc/04/86/67/169048667.db2.gz SQEWPCCFHAJWLN-UHFFFAOYSA-N 0 0 131.125 1.963 10 0 ADAERN Cn1cccc1-c1cnoc1N 77261433 169048692 /nfs/dbraw/zinc/04/86/92/169048692.db2.gz RDHPHXNCAWOGGE-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1ccc2c1CCCCN2 76578092 169048705 /nfs/dbraw/zinc/04/87/05/169048705.db2.gz SNFDJRZOXDAJNF-UHFFFAOYSA-N 0 0 150.225 1.773 10 0 ADAERN Cn1cccc1C(=O)COC1CCC1 50520816 169048756 /nfs/dbraw/zinc/04/87/56/169048756.db2.gz SUTGOYZKWXQHJN-UHFFFAOYSA-N 0 0 193.246 1.777 10 0 ADAERN Cn1cccc1C(=O)c1cccnc1 84449823 169048775 /nfs/dbraw/zinc/04/87/75/169048775.db2.gz XKVQCHGFYHPRNE-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1cccc1CN1CC(F)C1 306471800 169048946 /nfs/dbraw/zinc/04/89/46/169048946.db2.gz BJEVOCBCSLIEJO-UHFFFAOYSA-N 0 0 168.215 1.179 10 0 ADAERN Cn1cccc1[C@@H]1CCC(=O)C1 77261444 169049089 /nfs/dbraw/zinc/04/90/89/169049089.db2.gz FLYMPPXNURYTFT-MRVPVSSYSA-N 0 0 163.220 1.862 10 0 ADAERN Cn1ccccc1=NC1CC1 255992129 169049117 /nfs/dbraw/zinc/04/91/17/169049117.db2.gz OHRIYBIBENUJCI-UHFFFAOYSA-N 0 0 148.209 1.088 10 0 ADAERN Cn1cccc1CCn1ccnc1 21987879 169049156 /nfs/dbraw/zinc/04/91/56/169049156.db2.gz MZYBVENMANFERA-UHFFFAOYSA-N 0 0 175.235 1.464 10 0 ADAERN Cn1cccc2ccnc1-2 505982 169049160 /nfs/dbraw/zinc/04/91/60/169049160.db2.gz PHJOTIQZLMJWOY-UHFFFAOYSA-N 0 0 132.166 1.525 10 0 ADAERN Cn1cccc1CNc1ccnn1C 20351633 169049180 /nfs/dbraw/zinc/04/91/80/169049180.db2.gz NLLZGNBXMHCSNX-UHFFFAOYSA-N 0 0 190.250 1.371 10 0 ADAERN Cn1cccc1[C@@H](N)C(F)(F)F 19818936 169049192 /nfs/dbraw/zinc/04/91/92/169049192.db2.gz UPJQDUNGKPYWPP-ZCFIWIBFSA-N 0 0 178.157 1.587 10 0 ADAERN Cn1cccc1[C@@]1(C)CC(=O)CCN1 77277135 169049233 /nfs/dbraw/zinc/04/92/33/169049233.db2.gz TVVBOVBLTJVPDS-LLVKDONJSA-N 0 0 192.262 1.193 10 0 ADAERN Cn1cccc1[C@H]1CCC(=O)C1 77261447 169049264 /nfs/dbraw/zinc/04/92/64/169049264.db2.gz FLYMPPXNURYTFT-QMMMGPOBSA-N 0 0 163.220 1.862 10 0 ADAERN Cn1ccn2c3ccccc3nc12 45238377 169049580 /nfs/dbraw/zinc/04/95/80/169049580.db2.gz DGACDYIVVUKPAU-UHFFFAOYSA-N 0 0 171.203 1.826 10 0 ADAERN Cn1cccc1[C@H](N)c1ccco1 11822526 169049726 /nfs/dbraw/zinc/04/97/26/169049726.db2.gz XINWSBJTLMDPKJ-JTQLQIEISA-N 0 0 176.219 1.666 10 0 ADAERN Cn1cccc1C1OCCO1 39080426 169049855 /nfs/dbraw/zinc/04/98/55/169049855.db2.gz BJIGMGNDVZNSHS-UHFFFAOYSA-N 0 0 153.181 1.071 10 0 ADAERN Cn1ccn(Cc2ccccc2)c1=O 34500605 169049952 /nfs/dbraw/zinc/04/99/52/169049952.db2.gz OOLJSGVFPAGTFX-UHFFFAOYSA-N 0 0 188.230 1.235 10 0 ADAERN Cn1ccn2c(C3CCCC3)nnc12 75840928 169049961 /nfs/dbraw/zinc/04/99/61/169049961.db2.gz BMDOQFGFGDFHHG-UHFFFAOYSA-N 0 0 190.250 1.725 10 0 ADAERN Cn1cccc1[C@@H](N)c1ccco1 11822520 169049965 /nfs/dbraw/zinc/04/99/65/169049965.db2.gz XINWSBJTLMDPKJ-SNVBAGLBSA-N 0 0 176.219 1.666 10 0 ADAERN Cn1cccc1CNc1cn[nH]c1 50595178 169050025 /nfs/dbraw/zinc/05/00/25/169050025.db2.gz DAAFEFXRYSYJIH-UHFFFAOYSA-N 0 0 176.223 1.360 10 0 ADAERN Cn1cccc1[C@]1(C)CC(=O)CCN1 77277138 169050047 /nfs/dbraw/zinc/05/00/47/169050047.db2.gz TVVBOVBLTJVPDS-NSHDSACASA-N 0 0 192.262 1.193 10 0 ADAERN Cn1cccc1[C@H](N)C(F)(F)F 19818938 169050090 /nfs/dbraw/zinc/05/00/90/169050090.db2.gz UPJQDUNGKPYWPP-LURJTMIESA-N 0 0 178.157 1.587 10 0 ADAERN Cn1cccc1[C@H]1CCCO1 39080224 169050190 /nfs/dbraw/zinc/05/01/90/169050190.db2.gz QYOWIBJEDIDFSL-SECBINFHSA-N 0 0 151.209 1.877 10 0 ADAERN Cn1cccc1CCn1cc(N)cn1 77275442 169050201 /nfs/dbraw/zinc/05/02/01/169050201.db2.gz XBFYABGNYDZXKR-UHFFFAOYSA-N 0 0 190.250 1.047 10 0 ADAERN Cn1cccc1[C@@H]1CCCO1 39080222 169050218 /nfs/dbraw/zinc/05/02/18/169050218.db2.gz QYOWIBJEDIDFSL-VIFPVBQESA-N 0 0 151.209 1.877 10 0 ADAERN Cn1cccc1[C@H]1CCCN1N 77261760 169050235 /nfs/dbraw/zinc/05/02/35/169050235.db2.gz RQINOVRPJZOLSL-SECBINFHSA-N 0 0 165.240 1.036 10 0 ADAERN Cn1ccnc(-c2ccccc2)c1=O 59537206 169050238 /nfs/dbraw/zinc/05/02/38/169050238.db2.gz UEICUZLLEKRRGI-UHFFFAOYSA-N 0 0 186.214 1.447 10 0 ADAERN Cn1cccc1CNc1ncco1 8699338 169050252 /nfs/dbraw/zinc/05/02/52/169050252.db2.gz DTTLQSVONQXJJE-UHFFFAOYSA-N 0 0 177.207 1.625 10 0 ADAERN Cn1cccc1[C@@H]1CCCCN1N 77267909 169050325 /nfs/dbraw/zinc/05/03/25/169050325.db2.gz NBYYPNPGAIYDBI-JTQLQIEISA-N 0 0 179.267 1.426 10 0 ADAERN Cn1cccc1CNC(=O)C1=CCC1 334176761 169050447 /nfs/dbraw/zinc/05/04/47/169050447.db2.gz CRAWODBMGFVQIG-UHFFFAOYSA-N 0 0 190.246 1.362 10 0 ADAERN Cn1cccc1[C@H]1CCCCN1N 77267914 169050463 /nfs/dbraw/zinc/05/04/63/169050463.db2.gz NBYYPNPGAIYDBI-SNVBAGLBSA-N 0 0 179.267 1.426 10 0 ADAERN CN1C=CCC1=S 77259989 169050483 /nfs/dbraw/zinc/05/04/83/169050483.db2.gz UNEZQFMVHXPTMV-UHFFFAOYSA-N 0 0 113.185 1.314 10 0 ADAERN Cn1ccn2ncc(N=O)c12 39080047 169050492 /nfs/dbraw/zinc/05/04/92/169050492.db2.gz XBROGRBLUFMWRR-UHFFFAOYSA-N 0 0 150.141 1.071 10 0 ADAERN Cn1cccc1[C@@H]1CCCN1N 77261755 169050560 /nfs/dbraw/zinc/05/05/60/169050560.db2.gz RQINOVRPJZOLSL-VIFPVBQESA-N 0 0 165.240 1.036 10 0 ADAERN Cn1ccnc1C(O)(C1CC1)C1CC1 38246908 169050699 /nfs/dbraw/zinc/05/06/99/169050699.db2.gz UYSPEUMRTHBBNH-UHFFFAOYSA-N 0 0 192.262 1.428 10 0 ADAERN Cn1ccnc1CN1CCC12CCC2 336486129 169050752 /nfs/dbraw/zinc/05/07/52/169050752.db2.gz UNRDCQODWRZQGE-UHFFFAOYSA-N 0 0 191.278 1.549 10 0 ADAERN Cn1ccnc1NC(=O)CC1(C)CC1 335224320 169050842 /nfs/dbraw/zinc/05/08/42/169050842.db2.gz ZZQZTJWEWOCRQP-UHFFFAOYSA-N 0 0 193.250 1.549 10 0 ADAERN Cn1ccnc1Cc1ccccc1N 82530026 169050885 /nfs/dbraw/zinc/05/08/85/169050885.db2.gz HWMUZZLDJSQSIC-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN Cn1ccnc1CNc1ccccn1 70853777 169050932 /nfs/dbraw/zinc/05/09/32/169050932.db2.gz XSHZQTVGVYZRHM-UHFFFAOYSA-N 0 0 188.234 1.427 10 0 ADAERN Cn1ccnc1NC(=O)C1=CCCC1 334807834 169050975 /nfs/dbraw/zinc/05/09/75/169050975.db2.gz ANRCKIDGXGHJPR-UHFFFAOYSA-N 0 0 191.234 1.469 10 0 ADAERN Cn1ccnc1-c1ccccc1N 34078974 169050994 /nfs/dbraw/zinc/05/09/94/169050994.db2.gz IXKPZYQKBBQROE-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cn1ccnc1NC(=O)C1(C)CCC1 335190527 169051043 /nfs/dbraw/zinc/05/10/43/169051043.db2.gz FTSCMGOTUREMGD-UHFFFAOYSA-N 0 0 193.250 1.549 10 0 ADAERN Cn1ccnc1NC(=O)C1(C)CC1 335223965 169051056 /nfs/dbraw/zinc/05/10/56/169051056.db2.gz WSECVUAJYOLNAA-UHFFFAOYSA-N 0 0 179.223 1.159 10 0 ADAERN Cn1ccnc1C(=O)c1ccoc1 41048267 169051080 /nfs/dbraw/zinc/05/10/80/169051080.db2.gz SUFBOAXQYNOOPM-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN Cn1ccnc1C1=NO[C@@H]2CCC[C@H]12 39018078 169051123 /nfs/dbraw/zinc/05/11/23/169051123.db2.gz JKBMTWCHPPATON-JGVFFNPUSA-N 0 0 191.234 1.323 10 0 ADAERN Cn1ccnc1NC(=O)[C@@H]1CC12CC2 335056835 169051314 /nfs/dbraw/zinc/05/13/14/169051314.db2.gz ZKOMEQMUQSPTLP-ZETCQYMHSA-N 0 0 191.234 1.159 10 0 ADAERN Cn1ccnc1C1=NO[C@@H]2CCC[C@@H]12 39018080 169051369 /nfs/dbraw/zinc/05/13/69/169051369.db2.gz JKBMTWCHPPATON-HTQZYQBOSA-N 0 0 191.234 1.323 10 0 ADAERN Cn1ccnc1C1=NO[C@H]2CCC[C@@H]12 39018079 169051413 /nfs/dbraw/zinc/05/14/13/169051413.db2.gz JKBMTWCHPPATON-SFYZADRCSA-N 0 0 191.234 1.323 10 0 ADAERN Cn1ccnc1NC(=O)CC(C)(C)C 334799238 169051497 /nfs/dbraw/zinc/05/14/97/169051497.db2.gz FKHHNUKSOBGEBB-UHFFFAOYSA-N 0 0 195.266 1.795 10 0 ADAERN Cn1ccnc1C(=O)C1CCCC1 70184074 169051510 /nfs/dbraw/zinc/05/15/10/169051510.db2.gz VGZHZHRNVQUNPF-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN Cn1ccnc1-c1cnco1 39079954 169051534 /nfs/dbraw/zinc/05/15/34/169051534.db2.gz RDVIQCGECBBHNA-UHFFFAOYSA-N 0 0 149.153 1.075 10 0 ADAERN Cn1ccnc1NC(=O)[C@H]1CC12CC2 335056834 169051676 /nfs/dbraw/zinc/05/16/76/169051676.db2.gz ZKOMEQMUQSPTLP-SSDOTTSWSA-N 0 0 191.234 1.159 10 0 ADAERN Cn1ccnc1C1(O)CCCCC1 69027502 169051679 /nfs/dbraw/zinc/05/16/79/169051679.db2.gz JCNBZIZRABBQRF-UHFFFAOYSA-N 0 0 180.251 1.572 10 0 ADAERN Cn1ccnc1C1=NO[C@H]2CCC[C@H]12 39018077 169051762 /nfs/dbraw/zinc/05/17/62/169051762.db2.gz JKBMTWCHPPATON-YUMQZZPRSA-N 0 0 191.234 1.323 10 0 ADAERN Cn1ccnc1CNc1cccnc1 51920670 169051798 /nfs/dbraw/zinc/05/17/98/169051798.db2.gz RUETYADDVGDNEI-UHFFFAOYSA-N 0 0 188.234 1.427 10 0 ADAERN Cn1ccnc1CNCC(F)(F)F 35806153 169051814 /nfs/dbraw/zinc/05/18/14/169051814.db2.gz FLOCPOZCWOROBI-UHFFFAOYSA-N 0 0 193.172 1.072 10 0 ADAERN Cn1ccnc1C(=O)C(C)(C)C 39409404 169051869 /nfs/dbraw/zinc/05/18/69/169051869.db2.gz KKPWSHOZTUVNHL-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN Cn1ccnc1C1(O)CCCC1 69027656 169051970 /nfs/dbraw/zinc/05/19/70/169051970.db2.gz QBZHGCMVWMRUAW-UHFFFAOYSA-N 0 0 166.224 1.182 10 0 ADAERN Cn1ccnc1C(=O)c1ccsc1 41043034 169052072 /nfs/dbraw/zinc/05/20/72/169052072.db2.gz QZOWGWXIXGQROL-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1ccnc1NC(=O)CC1CCC1 335193165 169052073 /nfs/dbraw/zinc/05/20/73/169052073.db2.gz PKASWPXQGIIYLJ-UHFFFAOYSA-N 0 0 193.250 1.549 10 0 ADAERN Cn1ccnc1NC(=O)C1=CCC1 335650237 169052088 /nfs/dbraw/zinc/05/20/88/169052088.db2.gz RQVKZLJGYQZQKD-UHFFFAOYSA-N 0 0 177.207 1.079 10 0 ADAERN Cn1ccnc1C1CC1 139428203 169052127 /nfs/dbraw/zinc/05/21/27/169052127.db2.gz CVWGFCNSHOZVQS-UHFFFAOYSA-N 0 0 122.171 1.298 10 0 ADAERN Cn1ccnc1-c1ccc(N)c(F)c1 35565326 169052280 /nfs/dbraw/zinc/05/22/80/169052280.db2.gz INXKYOXZJYBNKQ-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cn1ccnc1CN1CC[C@@H]1C1CC1 336216089 169052289 /nfs/dbraw/zinc/05/22/89/169052289.db2.gz AQRHTDNOCOMCKL-SNVBAGLBSA-N 0 0 191.278 1.404 10 0 ADAERN Cn1ccnc1-c1ccc(F)c(N)c1 75843664 169052347 /nfs/dbraw/zinc/05/23/47/169052347.db2.gz SQLXBSTUDQEOEH-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cn1ccnc1Cc1cccc(N)c1 82530029 169052371 /nfs/dbraw/zinc/05/23/71/169052371.db2.gz CMPWQIBNIHMYSU-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN Cn1ccnc1C(=O)NC1CCCC1 75911138 169052465 /nfs/dbraw/zinc/05/24/65/169052465.db2.gz VTSHIPWYFPIYHD-UHFFFAOYSA-N 0 0 193.250 1.093 10 0 ADAERN Cn1ccnc1CN1CC[C@H]1C1CC1 336216088 169052523 /nfs/dbraw/zinc/05/25/23/169052523.db2.gz AQRHTDNOCOMCKL-JTQLQIEISA-N 0 0 191.278 1.404 10 0 ADAERN Cn1ccnc1NC(=O)C1CC=CC1 335190321 169052594 /nfs/dbraw/zinc/05/25/94/169052594.db2.gz BWTBUIKFIKGSGS-UHFFFAOYSA-N 0 0 191.234 1.325 10 0 ADAERN Cn1ccnc1CNCc1ccco1 4243956 169052602 /nfs/dbraw/zinc/05/26/02/169052602.db2.gz GAEOYMBVTZLMEG-UHFFFAOYSA-N 0 0 191.234 1.303 10 0 ADAERN Cn1ccnc1NC(=O)[C@H]1CC1(C)C 335219038 169052694 /nfs/dbraw/zinc/05/26/94/169052694.db2.gz JFYIMOOZPQQSQU-SSDOTTSWSA-N 0 0 193.250 1.405 10 0 ADAERN Cn1ccnc1-c1ccncc1N 82399370 169052879 /nfs/dbraw/zinc/05/28/79/169052879.db2.gz KMLATZJAKLIMIQ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1ccnc1CCn1cccc1 45136619 169052901 /nfs/dbraw/zinc/05/29/01/169052901.db2.gz PFAXWFCVAFCUFB-UHFFFAOYSA-N 0 0 175.235 1.464 10 0 ADAERN Cn1ccnc1NC(=O)CC1CC1 334813548 169053034 /nfs/dbraw/zinc/05/30/34/169053034.db2.gz QUDJKPGMWSNQKP-UHFFFAOYSA-N 0 0 179.223 1.159 10 0 ADAERN Cn1ccnc1S[C@H]1CCC[C@H]1O 37490287 169053097 /nfs/dbraw/zinc/05/30/97/169053097.db2.gz DKJLXCLBYOAOEP-SFYZADRCSA-N 0 0 198.291 1.426 10 0 ADAERN Cn1cnc(-c2ccccc2O)c1 82868223 169053122 /nfs/dbraw/zinc/05/31/22/169053122.db2.gz GPJKQSONLXFAEB-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN Cn1cnc(-c2ccc(O)cc2)c1 59586292 169053128 /nfs/dbraw/zinc/05/31/28/169053128.db2.gz NBUTXWIFTKWSMK-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN Cn1ccnc1[C@H](N)c1cccs1 11848560 169053148 /nfs/dbraw/zinc/05/31/48/169053148.db2.gz HVCFOAXRZRQYPJ-MRVPVSSYSA-N 0 0 193.275 1.530 10 0 ADAERN Cn1ccnc1[C@@H](O)c1ccoc1 41048329 169053158 /nfs/dbraw/zinc/05/31/58/169053158.db2.gz RCGXHGSVMMYYBF-QMMMGPOBSA-N 0 0 178.191 1.095 10 0 ADAERN Cn1ccnc1S[C@@H]1CCCC1=O 35182525 169053284 /nfs/dbraw/zinc/05/32/84/169053284.db2.gz WFZPTRSEBXDCPV-MRVPVSSYSA-N 0 0 196.275 1.634 10 0 ADAERN Cn1ccnc1S[C@H]1CCCC1=O 35182526 169053331 /nfs/dbraw/zinc/05/33/31/169053331.db2.gz WFZPTRSEBXDCPV-QMMMGPOBSA-N 0 0 196.275 1.634 10 0 ADAERN Cn1cnc(-c2ccccc2)c1CO 95756023 169053346 /nfs/dbraw/zinc/05/33/46/169053346.db2.gz QKDNJVLUJMNDDE-UHFFFAOYSA-N 0 0 188.230 1.579 10 0 ADAERN Cn1ccnc1S[C@@H]1CCC[C@@H]1O 37490284 169053440 /nfs/dbraw/zinc/05/34/40/169053440.db2.gz DKJLXCLBYOAOEP-JGVFFNPUSA-N 0 0 198.291 1.426 10 0 ADAERN Cn1ccnc1Oc1ccccc1N 50606700 169053513 /nfs/dbraw/zinc/05/35/13/169053513.db2.gz AJTYTHWCXQGNPF-UHFFFAOYSA-N 0 0 189.218 1.795 10 0 ADAERN Cn1ccnc1[C@@H](O)c1ccsc1 41048331 169053539 /nfs/dbraw/zinc/05/35/39/169053539.db2.gz IUMAJEIJLNZQLF-QMMMGPOBSA-N 0 0 194.259 1.563 10 0 ADAERN Cn1ccnc1[C@H](O)c1ccoc1 41048328 169053660 /nfs/dbraw/zinc/05/36/60/169053660.db2.gz RCGXHGSVMMYYBF-MRVPVSSYSA-N 0 0 178.191 1.095 10 0 ADAERN Cn1ccnc1[C@](C)(O)C(F)(F)F 75846350 169053744 /nfs/dbraw/zinc/05/37/44/169053744.db2.gz BBLDTANCWRBOLS-LURJTMIESA-N 0 0 194.156 1.190 10 0 ADAERN Cn1ccnc1[C@@H](N)c1cccs1 11848559 169053807 /nfs/dbraw/zinc/05/38/07/169053807.db2.gz HVCFOAXRZRQYPJ-QMMMGPOBSA-N 0 0 193.275 1.530 10 0 ADAERN Cn1ccnc1[C@H](N)c1ccoc1 41048288 169053894 /nfs/dbraw/zinc/05/38/94/169053894.db2.gz DMKQYWJRINVYKK-MRVPVSSYSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1ccnc1[C@@H](N)c1ccoc1 41048289 169053967 /nfs/dbraw/zinc/05/39/67/169053967.db2.gz DMKQYWJRINVYKK-QMMMGPOBSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1cnc(-c2cccnc2)c1N 104846749 169054015 /nfs/dbraw/zinc/05/40/15/169054015.db2.gz IVDPRTYATCTFRO-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1ccnc1[C@@H](N)c1ccsc1 41048291 169054042 /nfs/dbraw/zinc/05/40/42/169054042.db2.gz RBJSZLLRBJYZAG-QMMMGPOBSA-N 0 0 193.275 1.530 10 0 ADAERN Cn1cnc(-c2ccco2)c1 39079836 169054048 /nfs/dbraw/zinc/05/40/48/169054048.db2.gz ISRONDHGBASWKR-UHFFFAOYSA-N 0 0 148.165 1.680 10 0 ADAERN Cn1ccnc1Oc1cccc(N)c1 50606702 169054061 /nfs/dbraw/zinc/05/40/61/169054061.db2.gz IVJHRWHTPLQGOG-UHFFFAOYSA-N 0 0 189.218 1.795 10 0 ADAERN Cn1ccnc1[C@H](N)c1ccco1 11735108 169054130 /nfs/dbraw/zinc/05/41/30/169054130.db2.gz KALIWCSUUUIMAI-MRVPVSSYSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1cnc(-c2ccc(N)cc2)c1 40543038 169054165 /nfs/dbraw/zinc/05/41/65/169054165.db2.gz UUYZCLIPTGLPJF-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cn1cnc(-c2ccccc2N)n1 172597 169054221 /nfs/dbraw/zinc/05/42/21/169054221.db2.gz UQUYETSXMOOVEP-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1cnc(-c2ccccc2N)c1 82868043 169054312 /nfs/dbraw/zinc/05/43/12/169054312.db2.gz JEDVTTYSBOHPQW-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cn1cnc(-c2cccc(N)c2)c1 82868041 169054459 /nfs/dbraw/zinc/05/44/59/169054459.db2.gz UNCBIGOPFSFLQY-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cn1ccnc1[C@@](C)(O)C(F)(F)F 75846349 169054578 /nfs/dbraw/zinc/05/45/78/169054578.db2.gz BBLDTANCWRBOLS-ZCFIWIBFSA-N 0 0 194.156 1.190 10 0 ADAERN Cn1ccnc1[C@H](N)c1ccsc1 41048290 169054694 /nfs/dbraw/zinc/05/46/94/169054694.db2.gz RBJSZLLRBJYZAG-MRVPVSSYSA-N 0 0 193.275 1.530 10 0 ADAERN Cn1ccnc1[C@@H](N)c1ccco1 11735107 169054718 /nfs/dbraw/zinc/05/47/18/169054718.db2.gz KALIWCSUUUIMAI-QMMMGPOBSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1ccnc1[C@H](O)c1ccsc1 41048330 169054730 /nfs/dbraw/zinc/05/47/30/169054730.db2.gz IUMAJEIJLNZQLF-MRVPVSSYSA-N 0 0 194.259 1.563 10 0 ADAERN Cn1ccnc1S[C@H]1CCC[C@@H]1O 37490285 169054751 /nfs/dbraw/zinc/05/47/51/169054751.db2.gz DKJLXCLBYOAOEP-YUMQZZPRSA-N 0 0 198.291 1.426 10 0 ADAERN Cn1cnc(-c2cccc(O)c2)c1 82868222 169054765 /nfs/dbraw/zinc/05/47/65/169054765.db2.gz UGJQYFFBOUIFFX-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN Cn1cnc2c3c(=O)cc[nH]c3ccc21 5116759 169055212 /nfs/dbraw/zinc/05/52/12/169055212.db2.gz OCGANEUJWFHNLO-UHFFFAOYSA-N 0 0 199.213 1.415 10 0 ADAERN Cn1cnc2c3ncn(C)c3ccc21 5331247 169055404 /nfs/dbraw/zinc/05/54/04/169055404.db2.gz GRPZJGMILHDUAW-UHFFFAOYSA-N 0 0 186.218 1.460 10 0 ADAERN Cn1cnc2c3nccnc3ccc21 95922720 169055481 /nfs/dbraw/zinc/05/54/81/169055481.db2.gz LUMSACMEZQCYBR-UHFFFAOYSA-N 0 0 184.202 1.517 10 0 ADAERN Cn1cnc(Oc2ccccc2)c1N 106857856 169055787 /nfs/dbraw/zinc/05/57/87/169055787.db2.gz DZCCKPOGPIAPDU-UHFFFAOYSA-N 0 0 189.218 1.795 10 0 ADAERN Cn1cnc2cc(CCO)ccc21 82587806 169055896 /nfs/dbraw/zinc/05/58/96/169055896.db2.gz ZEMPJFUNZAEBNT-UHFFFAOYSA-N 0 0 176.219 1.108 10 0 ADAERN Cn1cnc2c(N)nc3ccccc3c21 28477602 169056108 /nfs/dbraw/zinc/05/61/08/169056108.db2.gz PDEJNVGATHPZFX-UHFFFAOYSA-N 0 0 198.229 1.704 10 0 ADAERN Cn1cnc2cc(CCCO)ccc21 82588378 169056153 /nfs/dbraw/zinc/05/61/53/169056153.db2.gz JLMMWBLSFIKSSR-UHFFFAOYSA-N 0 0 190.246 1.498 10 0 ADAERN Cn1cnc2c3c(N)ccnc3ccc21 95922718 169056224 /nfs/dbraw/zinc/05/62/24/169056224.db2.gz YKBZKPRFNNAVFU-UHFFFAOYSA-N 0 0 198.229 1.704 10 0 ADAERN Cn1cnc2c(CO)cccc21 76208406 169056299 /nfs/dbraw/zinc/05/62/99/169056299.db2.gz GHGVBRKMGOAYJW-UHFFFAOYSA-N 0 0 162.192 1.066 10 0 ADAERN Cn1cnc2c(Cl)cccc2c1=O 196413614 169056342 /nfs/dbraw/zinc/05/63/42/169056342.db2.gz HTANTODRNYYLFN-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN Cn1cnc2c1CC(C)(C)CC2=O 82397758 169056430 /nfs/dbraw/zinc/05/64/30/169056430.db2.gz XGXXQICPQILBFI-UHFFFAOYSA-N 0 0 178.235 1.575 10 0 ADAERN Cn1cnc(NCC2(C)CCC2)n1 306524971 169056522 /nfs/dbraw/zinc/05/65/22/169056522.db2.gz OUUZGOLUTVKOIH-UHFFFAOYSA-N 0 0 180.255 1.417 10 0 ADAERN Cn1cnc2c3nc[nH]c3ccc21 5286120 169056532 /nfs/dbraw/zinc/05/65/32/169056532.db2.gz XFRJGIQRPVOAAW-UHFFFAOYSA-N 0 0 172.191 1.450 10 0 ADAERN Cn1cnc2c(F)cccc21 76208396 169056819 /nfs/dbraw/zinc/05/68/19/169056819.db2.gz JXEMBFXNJVZDLJ-UHFFFAOYSA-N 0 0 150.156 1.712 10 0 ADAERN Cn1cnc2cc(NC(N)=O)ccc21 77275017 169057039 /nfs/dbraw/zinc/05/70/39/169057039.db2.gz AATDBTFUDBHVBP-UHFFFAOYSA-N 0 0 190.206 1.064 10 0 ADAERN Cn1cnnc1-c1ccc(F)c(N)c1 54497409 169057118 /nfs/dbraw/zinc/05/71/18/169057118.db2.gz ZWJOTGJTLURTHB-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1cncc1-c1ccco1 39079884 169057122 /nfs/dbraw/zinc/05/71/22/169057122.db2.gz DUUCBYBVUADQSJ-UHFFFAOYSA-N 0 0 148.165 1.680 10 0 ADAERN Cn1cnnc1-c1cccc(F)c1 6371 169057129 /nfs/dbraw/zinc/05/71/29/169057129.db2.gz PKGVBTLYUTXTQG-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN Cn1cncc1C(=O)C(F)(F)F 39054887 169057174 /nfs/dbraw/zinc/05/71/74/169057174.db2.gz AYYNBGRYFPEPBR-UHFFFAOYSA-N 0 0 178.113 1.165 10 0 ADAERN Cn1cncc1-c1cccc(N)c1 82587720 169057177 /nfs/dbraw/zinc/05/71/77/169057177.db2.gz OZRFRQCXYRHLCC-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cn1cnnc1-c1sccc1N 54497540 169057196 /nfs/dbraw/zinc/05/71/96/169057196.db2.gz YYNLQGSWDGECMU-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cnc2cc3c(cc21)OCCO3 75838437 169057222 /nfs/dbraw/zinc/05/72/22/169057222.db2.gz JRQAEWOMCFRWJB-UHFFFAOYSA-N 0 0 190.202 1.345 10 0 ADAERN Cn1cnnc1-c1ccccc1O 75565234 169057245 /nfs/dbraw/zinc/05/72/45/169057245.db2.gz WBWFEHRZMXHWMO-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1cnnc1-c1ccc(F)cc1N 54497544 169057264 /nfs/dbraw/zinc/05/72/64/169057264.db2.gz JLFFPJJRWAFZQP-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1cnc2cc(F)c(F)c(F)c21 76208327 169057279 /nfs/dbraw/zinc/05/72/79/169057279.db2.gz FGQRVIFKBJQCAB-UHFFFAOYSA-N 0 0 186.136 1.991 10 0 ADAERN Cn1cnnc1-c1ccc(O)cc1 75838472 169057451 /nfs/dbraw/zinc/05/74/51/169057451.db2.gz TZQIRJDKENSVNW-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1cnc2cccc(F)c2c1=N 100380247 169057491 /nfs/dbraw/zinc/05/74/91/169057491.db2.gz LAJYDMNSOKYRTB-UHFFFAOYSA-N 0 0 177.182 1.192 10 0 ADAERN Cn1cnc2cc3ncn(C)c3cc21 5286119 169057674 /nfs/dbraw/zinc/05/76/74/169057674.db2.gz KKFDIQQKARTCSE-UHFFFAOYSA-N 0 0 186.218 1.460 10 0 ADAERN Cn1cnnc1-c1ccc(N)s1 104853937 169057762 /nfs/dbraw/zinc/05/77/62/169057762.db2.gz XIVJYPPAEFMZRT-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cnc2cc3nccnc3cc21 5425265 169057775 /nfs/dbraw/zinc/05/77/75/169057775.db2.gz XMHFOOYSXNMWSE-UHFFFAOYSA-N 0 0 184.202 1.517 10 0 ADAERN Cn1cncc1[C@H](O)C(C)(C)C 38523134 169058080 /nfs/dbraw/zinc/05/80/80/169058080.db2.gz SCAHMTWRGGQKMJ-QMMMGPOBSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1cnnc1-c1ccc(C=O)s1 75878559 169058137 /nfs/dbraw/zinc/05/81/37/169058137.db2.gz RUXUGDCWZSOPFX-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cn1cnnc1-c1c(N)cccc1F 54497453 169058144 /nfs/dbraw/zinc/05/81/44/169058144.db2.gz ZLECMWHIGCZYGU-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1cnc2cccc(F)c21 76208282 169058158 /nfs/dbraw/zinc/05/81/58/169058158.db2.gz JEMOKWZVHYOUNO-UHFFFAOYSA-N 0 0 150.156 1.712 10 0 ADAERN Cn1cncc1[C@@H](O)C(C)(C)C 38523133 169058374 /nfs/dbraw/zinc/05/83/74/169058374.db2.gz SCAHMTWRGGQKMJ-MRVPVSSYSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1cnn(CC2=CCCCC2)c1=O 335601493 169058388 /nfs/dbraw/zinc/05/83/88/169058388.db2.gz CTLZAJJUGQYARZ-UHFFFAOYSA-N 0 0 193.250 1.082 10 0 ADAERN Cn1cnnc1-c1cc(F)ccc1N 54497473 169058396 /nfs/dbraw/zinc/05/83/96/169058396.db2.gz JFOUBEPELPHVJV-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1cnnc1-c1ccsc1N 104853916 169058504 /nfs/dbraw/zinc/05/85/04/169058504.db2.gz BZDNMHPQTZYGBO-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cnc2cccc(NC=O)c21 204915576 169058568 /nfs/dbraw/zinc/05/85/68/169058568.db2.gz XQTKAYCJLFLKEJ-UHFFFAOYSA-N 0 0 175.191 1.142 10 0 ADAERN Cn1cnnc1-c1ccc(F)cc1 75838476 169058570 /nfs/dbraw/zinc/05/85/70/169058570.db2.gz PJOUUBKEORAUOK-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN Cn1cnnc1-c1cc(N)ccc1F 54497411 169058765 /nfs/dbraw/zinc/05/87/65/169058765.db2.gz PPJIBLNBZFRUME-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1cncc1C(=O)c1ccccc1 499961 169058770 /nfs/dbraw/zinc/05/87/70/169058770.db2.gz VGQTVJZJZACFRT-UHFFFAOYSA-N 0 0 186.214 1.651 10 0 ADAERN Cn1cnnc1C(=O)C(C)(C)C 75854945 169058793 /nfs/dbraw/zinc/05/87/93/169058793.db2.gz LXSJYHGMJLAYNB-UHFFFAOYSA-N 0 0 167.212 1.044 10 0 ADAERN Cn1nc(-c2ccco2)c(C=O)c1N 75432048 169059083 /nfs/dbraw/zinc/05/90/83/169059083.db2.gz PWRWTPDKLVBVNM-UHFFFAOYSA-N 0 0 191.190 1.075 10 0 ADAERN Cn1cnnc1C(=O)c1ccccc1 75870710 169059267 /nfs/dbraw/zinc/05/92/67/169059267.db2.gz TTXSTMGBXSKOBH-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN Cn1nc(-c2ccncc2)[nH]c1=S 158744895 169059279 /nfs/dbraw/zinc/05/92/79/169059279.db2.gz OLALLNWLYFAHMS-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1nc(-c2cnccn2)oc1=S 34632815 169059529 /nfs/dbraw/zinc/05/95/29/169059529.db2.gz BRNJRHQQUDWNAD-UHFFFAOYSA-N 0 0 194.219 1.200 10 0 ADAERN Cn1cnnc1C1CCCC1 75840873 169059612 /nfs/dbraw/zinc/05/96/12/169059612.db2.gz YVHFGSJXMZFBPC-UHFFFAOYSA-N 0 0 151.213 1.473 10 0 ADAERN Cn1nc(C(=O)C2CCCC2)cc1N 75581342 169059617 /nfs/dbraw/zinc/05/96/17/169059617.db2.gz OLOVSBHJEVUXEL-UHFFFAOYSA-N 0 0 193.250 1.375 10 0 ADAERN Cn1nc(-c2ccccc2)oc1=O 5943343 169059738 /nfs/dbraw/zinc/05/97/38/169059738.db2.gz JBDTUVFVJKCGHG-UHFFFAOYSA-N 0 0 176.175 1.040 10 0 ADAERN Cn1nc(-c2ccco2)cc1CO 12370335 169059914 /nfs/dbraw/zinc/05/99/14/169059914.db2.gz BYXYWFXMSJTOKB-UHFFFAOYSA-N 0 0 178.191 1.172 10 0 in-vitro ADAERN Cn1nc(-c2ccco2)[nH]c1=S 39206109 169059921 /nfs/dbraw/zinc/05/99/21/169059921.db2.gz KBOBNFUAEBGALX-UHFFFAOYSA-N 0 0 181.220 1.738 10 0 ADAERN Cn1cnnc1S[C@H]1CCCC1=O 35184237 169059930 /nfs/dbraw/zinc/05/99/30/169059930.db2.gz IISARSYSUMDFRU-ZETCQYMHSA-N 0 0 197.263 1.029 10 0 ADAERN Cn1cnnc1Sc1ccccc1 75838528 169060150 /nfs/dbraw/zinc/06/01/50/169060150.db2.gz SZTIXAGVXVYGMD-UHFFFAOYSA-N 0 0 191.259 1.966 10 0 ADAERN Cn1cnnc1C1CCCCC1 75841423 169060307 /nfs/dbraw/zinc/06/03/07/169060307.db2.gz ZVOPSTLZRMFFKW-UHFFFAOYSA-N 0 0 165.240 1.863 10 0 ADAERN Cn1cnnc1S[C@@H]1CCCC1=O 35184236 169060437 /nfs/dbraw/zinc/06/04/37/169060437.db2.gz IISARSYSUMDFRU-SSDOTTSWSA-N 0 0 197.263 1.029 10 0 ADAERN Cn1nc(N)cc1-c1ccccc1 33835090 169060660 /nfs/dbraw/zinc/06/06/60/169060660.db2.gz FMSGVTQLGPSDSP-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cn1nc(Cl)c2cc(N)ccc21 76191384 169060673 /nfs/dbraw/zinc/06/06/73/169060673.db2.gz XNUFGCRHSJJVMB-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1nc(Cl)c2cccc(N)c21 89200680 169060914 /nfs/dbraw/zinc/06/09/14/169060914.db2.gz SPARCUKRDUDVTG-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1nc(Cl)c2cncc(C=O)c21 82386156 169061022 /nfs/dbraw/zinc/06/10/22/169061022.db2.gz KISULRRQURNSPN-UHFFFAOYSA-N 0 0 195.609 1.434 10 0 ADAERN Cn1nc(C2CC2)cc1NC1CC1 95075669 169061032 /nfs/dbraw/zinc/06/10/32/169061032.db2.gz FTGDNLYFAPFTDS-UHFFFAOYSA-N 0 0 177.251 1.872 10 0 ADAERN Cn1nc(COC2CCCC2)cc1N 75598238 169061034 /nfs/dbraw/zinc/06/10/34/169061034.db2.gz KHZVFBRJBOIBSI-UHFFFAOYSA-N 0 0 195.266 1.462 10 0 ADAERN Cn1nc(N)cc1-c1cccs1 82529564 169061124 /nfs/dbraw/zinc/06/11/24/169061124.db2.gz HQZKQXIGJSENGI-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Cn1nc(C2CC=CC2)cc1N 75545833 169061287 /nfs/dbraw/zinc/06/12/87/169061287.db2.gz IUYLFQYHXQHADJ-UHFFFAOYSA-N 0 0 163.224 1.436 10 0 ADAERN Cn1nc(C(N)=S)c2ccccc21 83341665 169061497 /nfs/dbraw/zinc/06/14/97/169061497.db2.gz MGNMLRDMUTUAPP-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1nc(C2CC2)c2c1CCCC2=O 82823444 169061695 /nfs/dbraw/zinc/06/16/95/169061695.db2.gz JTFHYHZWACVDPA-UHFFFAOYSA-N 0 0 190.246 1.817 10 0 ADAERN Cn1nc(C2CC2)c2cc(N)cnc21 82391299 169061853 /nfs/dbraw/zinc/06/18/53/169061853.db2.gz WPVAHNKPWSEYRE-UHFFFAOYSA-N 0 0 188.234 1.428 10 0 ADAERN Cn1nc(C=O)c2c1CCCC2 20270534 169061907 /nfs/dbraw/zinc/06/19/07/169061907.db2.gz DSRBRLXKUXXRLS-UHFFFAOYSA-N 0 0 164.208 1.111 10 0 ADAERN Cn1nc(C2CCCC2)nc1N 54699114 169061910 /nfs/dbraw/zinc/06/19/10/169061910.db2.gz YXOQSZGTJMXLAH-UHFFFAOYSA-N 0 0 166.228 1.055 10 0 ADAERN Cn1nc(C2CCCCC2)nc1N 54699332 169062105 /nfs/dbraw/zinc/06/21/05/169062105.db2.gz DBNPSLRYKQVAJH-UHFFFAOYSA-N 0 0 180.255 1.445 10 0 ADAERN Cn1nc(Cl)cc1Cl 39088462 169062148 /nfs/dbraw/zinc/06/21/48/169062148.db2.gz SKSICRRGMZUWHM-UHFFFAOYSA-N 0 0 150.996 1.727 10 0 ADAERN Cn1[nH]c(=O)c(N)c1-c1ccccc1 26183392 169062173 /nfs/dbraw/zinc/06/21/73/169062173.db2.gz HKTAGWZWJIOJJL-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN Cn1nc(Cl)c2ccc(N)cc21 89197551 169062185 /nfs/dbraw/zinc/06/21/85/169062185.db2.gz PPXLRJUETYYCHW-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1nc(CN)nc1-c1cccs1 82530806 169062276 /nfs/dbraw/zinc/06/22/76/169062276.db2.gz REETUMKRXWNXOG-UHFFFAOYSA-N 0 0 194.263 1.002 10 0 ADAERN Cn1nc2c(c1C(C)(C)O)CCCC2 75846128 169062455 /nfs/dbraw/zinc/06/24/55/169062455.db2.gz QLVCJSDDQSSGTG-UHFFFAOYSA-N 0 0 194.278 1.526 10 0 ADAERN Cn1ncc(-c2ccccc2)c1C=O 75844313 169062549 /nfs/dbraw/zinc/06/25/49/169062549.db2.gz MXENFTHZYLLIIV-UHFFFAOYSA-N 0 0 186.214 1.900 10 0 ADAERN Cn1nc2ccccc2c1C(C)(C)O 75846111 169062569 /nfs/dbraw/zinc/06/25/69/169062569.db2.gz QMAJRJRHKIWRSH-UHFFFAOYSA-N 0 0 190.246 1.801 10 0 ADAERN Cn1nc2ccccc2c1C(N)=S 75851965 169062842 /nfs/dbraw/zinc/06/28/42/169062842.db2.gz BXHOJPGZPDLAQF-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1ncc(-c2ccco2)c1N 77261431 169062960 /nfs/dbraw/zinc/06/29/60/169062960.db2.gz ZJSYBJAZIYJEIE-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN Cn1nc2c(c1C(F)(F)F)CNC2 107233174 169063078 /nfs/dbraw/zinc/06/30/78/169063078.db2.gz XQSKUBXETVEVNG-UHFFFAOYSA-N 0 0 191.156 1.042 10 0 ADAERN Cn1nc([C@@H]2C[C@H]3CC[C@@H]2C3)cc1N 42175261 169063137 /nfs/dbraw/zinc/06/31/37/169063137.db2.gz CNGNXDJOVNNCEE-DJLDLDEBSA-N 0 0 191.278 1.906 10 0 ADAERN Cn1nc([C@H]2CC=CCC2)cc1N 34069561 169063283 /nfs/dbraw/zinc/06/32/83/169063283.db2.gz XFASFJHJEANXRV-QMMMGPOBSA-N 0 0 177.251 1.826 10 0 ADAERN Cn1ncc(-c2ccccc2)n1 34104233 169063372 /nfs/dbraw/zinc/06/33/72/169063372.db2.gz JUAFVHXNHUSNLJ-UHFFFAOYSA-N 0 0 159.192 1.482 10 0 ADAERN Cn1ncc(-c2ccc(O)cc2)n1 96675268 169063591 /nfs/dbraw/zinc/06/35/91/169063591.db2.gz PGBYYNPTQXBAOK-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1nc([C@@H]2CC=CCC2)cc1N 34069562 169063686 /nfs/dbraw/zinc/06/36/86/169063686.db2.gz XFASFJHJEANXRV-MRVPVSSYSA-N 0 0 177.251 1.826 10 0 ADAERN CC[C@@]1(O)CCc2ccccc2C1=O 136282730 343979061 /nfs/dbraw/zinc/97/90/61/343979061.db2.gz RJODYSFGGBOLHJ-GFCCVEGCSA-N 0 0 190.242 1.957 10 0 ADAERN Cn1nc([C@H]2C[C@H]3CC[C@@H]2C3)cc1N 42175264 169064131 /nfs/dbraw/zinc/06/41/31/169064131.db2.gz CNGNXDJOVNNCEE-YIZRAAEISA-N 0 0 191.278 1.906 10 0 ADAERN Cn1ncc2c(C(N)=S)cccc21 76188993 169064548 /nfs/dbraw/zinc/06/45/48/169064548.db2.gz CZRVDSFEXAYHPG-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1ncc(N)c1C(=O)C(C)(C)C 75854980 169064662 /nfs/dbraw/zinc/06/46/62/169064662.db2.gz ZHNCROQINSLPSL-UHFFFAOYSA-N 0 0 181.239 1.231 10 0 ADAERN Cn1ncc2c1CCCC2 26056879 169064915 /nfs/dbraw/zinc/06/49/15/169064915.db2.gz QSYZWNWTCURLHT-UHFFFAOYSA-N 0 0 136.198 1.299 10 0 ADAERN Cn1ncc(Cl)c1C(C)(C)O 75846127 169065037 /nfs/dbraw/zinc/06/50/37/169065037.db2.gz PFGAJJXIQLGTQA-UHFFFAOYSA-N 0 0 174.631 1.301 10 0 ADAERN Cn1ncc2cc(C=O)cc(O)c21 82398879 169065103 /nfs/dbraw/zinc/06/51/03/169065103.db2.gz DJEWKPIHPDJZAI-UHFFFAOYSA-N 0 0 176.175 1.091 10 0 ADAERN Cn1ncc(Cl)c1-c1cnco1 38337309 169065405 /nfs/dbraw/zinc/06/54/05/169065405.db2.gz ZCVOXMWRWGFMFQ-UHFFFAOYSA-N 0 0 183.598 1.729 10 0 ADAERN Cn1ncc(Cc2ccccc2)c1N 19730154 169065510 /nfs/dbraw/zinc/06/55/10/169065510.db2.gz CPUJPZRGVPTANX-UHFFFAOYSA-N 0 0 187.246 1.593 10 0 ADAERN Cn1ncc(N)c1C1CCCC1 75840950 169065571 /nfs/dbraw/zinc/06/55/71/169065571.db2.gz DNENIRYRTRQMNY-UHFFFAOYSA-N 0 0 165.240 1.660 10 0 ADAERN Cn1ncc(Cc2cccs2)c1N 19730150 169065609 /nfs/dbraw/zinc/06/56/09/169065609.db2.gz PVYUVGURDZFXFT-UHFFFAOYSA-N 0 0 193.275 1.655 10 0 ADAERN Cn1ncc2c1CC(C)(C)C[C@@H]2O 72415811 169065629 /nfs/dbraw/zinc/06/56/29/169065629.db2.gz MGERGJWOQZGAQY-VIFPVBQESA-N 0 0 180.251 1.426 10 0 ADAERN Cn1ncc2cc(Cl)cc(N)c21 89200602 169065631 /nfs/dbraw/zinc/06/56/31/169065631.db2.gz RQBVJZZEOGQSGY-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1ncc2c(N)cc(F)cc21 39088210 169065648 /nfs/dbraw/zinc/06/56/48/169065648.db2.gz ZJHJDCRZFKKCCD-UHFFFAOYSA-N 0 0 165.171 1.295 10 0 ADAERN Cn1ncc(Cc2ccco2)c1N 19730149 169065666 /nfs/dbraw/zinc/06/56/66/169065666.db2.gz YLMVZEZSPRJXIJ-UHFFFAOYSA-N 0 0 177.207 1.186 10 0 ADAERN Cn1ncc(Cl)c1-c1cc(N)n[nH]1 75880220 169065672 /nfs/dbraw/zinc/06/56/72/169065672.db2.gz NLLZZVNMXVGNOB-UHFFFAOYSA-N 0 0 197.629 1.046 10 0 ADAERN Cn1ncc2ccc(C(N)=S)cc21 76188989 169065797 /nfs/dbraw/zinc/06/57/97/169065797.db2.gz NSFVWHIIXXIAQE-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1ncc2c(Cl)ccc(N)c21 89200853 169065807 /nfs/dbraw/zinc/06/58/07/169065807.db2.gz WSTQLWOSKCFWIJ-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1ncc2c(NCCF)ccnc21 306217426 169065861 /nfs/dbraw/zinc/06/58/61/169065861.db2.gz JXHNOYXMRJUNJO-UHFFFAOYSA-N 0 0 194.213 1.350 10 0 ADAERN Cn1ncc2cc(C(N)=S)ccc21 76188987 169065907 /nfs/dbraw/zinc/06/59/07/169065907.db2.gz JFKQZIIFFQHCEL-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1ncc2c1CCCCN2 39133760 169066123 /nfs/dbraw/zinc/06/61/23/169066123.db2.gz QMPOEADZVYPJAQ-UHFFFAOYSA-N 0 0 151.213 1.168 10 0 ADAERN Cn1ncc2[nH]cnc2c1=S 13218886 169066252 /nfs/dbraw/zinc/06/62/52/169066252.db2.gz GYOIUZHILFZIEB-UHFFFAOYSA-N 0 0 166.209 1.026 10 0 ADAERN Cn1ncc2c1CC(C)(C)C[C@H]2O 72415810 169066302 /nfs/dbraw/zinc/06/63/02/169066302.db2.gz MGERGJWOQZGAQY-SECBINFHSA-N 0 0 180.251 1.426 10 0 ADAERN Cn1nccc1-c1ccc(C=O)s1 75878577 169066525 /nfs/dbraw/zinc/06/65/25/169066525.db2.gz GVTKKLGVLNYLFW-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN Cn1ncc2cccc(C(N)=S)c21 76188991 169066531 /nfs/dbraw/zinc/06/65/31/169066531.db2.gz GFEQDZDLNKQCSG-UHFFFAOYSA-N 0 0 191.259 1.208 10 0 ADAERN Cn1nccc1-c1nc(N)cs1 40539062 169066593 /nfs/dbraw/zinc/06/65/93/169066593.db2.gz YOBJWIYVASKOMI-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1nccc1C1N=NC(=S)S1 26549560 169066627 /nfs/dbraw/zinc/06/66/27/169066627.db2.gz XFVUAKBXFXALHS-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN Cn1ncc2ccc(Cl)c(N)c21 89200600 169066633 /nfs/dbraw/zinc/06/66/33/169066633.db2.gz PDKGFXMBPXBQGY-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1[nH]cc2cnc3nccc3c21 88347438 169066668 /nfs/dbraw/zinc/06/66/68/169066668.db2.gz WKCOYTROUFCZNQ-UHFFFAOYSA-N 0 0 172.191 1.450 10 0 ADAERN Cn1ncc2ccc(F)c(C=O)c21 75844297 169066685 /nfs/dbraw/zinc/06/66/85/169066685.db2.gz CQKNHSXNEFHYDZ-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cn1nccc1-c1ccc(N)s1 106960474 169066709 /nfs/dbraw/zinc/06/67/09/169066709.db2.gz YJJQDEMXCGKILN-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Cn1nccc1-c1cccc(O)c1 82868226 169066747 /nfs/dbraw/zinc/06/67/47/169066747.db2.gz KYOGIWCQMNTTCC-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN Cn1nccc1-c1cc(N)ccc1O 82881168 169066783 /nfs/dbraw/zinc/06/67/83/169066783.db2.gz LMBMOKXUKBZALU-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN Cn1ncc2ccc(N)c(Cl)c21 89200366 169066799 /nfs/dbraw/zinc/06/67/99/169066799.db2.gz CVGHQWTVVZBCHO-UHFFFAOYSA-N 0 0 181.626 1.809 10 0 ADAERN Cn1nccc1-c1cc[nH]c(=S)n1 2538091 169066848 /nfs/dbraw/zinc/06/68/48/169066848.db2.gz NZISUCDTIHCKOA-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1ncc2ccc(F)c(N)c21 75843757 169066861 /nfs/dbraw/zinc/06/68/61/169066861.db2.gz QIWDANNUCDVKDF-UHFFFAOYSA-N 0 0 165.171 1.295 10 0 ADAERN Cn1ncnc1-c1ccc(N)cc1 54498619 169067056 /nfs/dbraw/zinc/06/70/56/169067056.db2.gz AERSOWFPNLPEAA-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1ncnc1[Si](C)(C)C(C)(C)C 196200995 169067115 /nfs/dbraw/zinc/06/71/15/169067115.db2.gz XUXKQIRQIWVNOD-UHFFFAOYSA-N 0 0 197.358 1.531 10 0 ADAERN Cn1ncn(CC2=CCCCC2)c1=O 336264513 169067120 /nfs/dbraw/zinc/06/71/20/169067120.db2.gz CMWKCBZNCMKNIU-UHFFFAOYSA-N 0 0 193.250 1.082 10 0 ADAERN Cn1nnc(C=O)c1C1CCCCC1 62298191 169067175 /nfs/dbraw/zinc/06/71/75/169067175.db2.gz NSTJLYAULFYTMS-UHFFFAOYSA-N 0 0 193.250 1.675 10 0 ADAERN Cn1ncnc1C1CCCC1 39111495 169067300 /nfs/dbraw/zinc/06/73/00/169067300.db2.gz FMEZOZKTAAHSRD-UHFFFAOYSA-N 0 0 151.213 1.473 10 0 ADAERN Cn1ncnc1-c1ccccc1N 54498672 169067418 /nfs/dbraw/zinc/06/74/18/169067418.db2.gz RWVAYRYTXIGLEC-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1nccc1NCc1ccco1 20351629 169067461 /nfs/dbraw/zinc/06/74/61/169067461.db2.gz WBZHUPVDLVUJJI-UHFFFAOYSA-N 0 0 177.207 1.625 10 0 ADAERN Cn1ncnc1-c1ccc(F)cc1N 54498659 169067554 /nfs/dbraw/zinc/06/75/54/169067554.db2.gz NABACNHALRBKLL-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1ncnc1CSC1CCC1 336273414 169067647 /nfs/dbraw/zinc/06/76/47/169067647.db2.gz HVOTXXVRNQMAQZ-UHFFFAOYSA-N 0 0 183.280 1.601 10 0 ADAERN Cn1ncnc1-c1cc(N)ccc1F 54498579 169067686 /nfs/dbraw/zinc/06/76/86/169067686.db2.gz LAKQNXNCMWKBKV-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1nnc(C=O)c1-c1cccs1 62298225 169067935 /nfs/dbraw/zinc/06/79/35/169067935.db2.gz UTJCZYPWTNEQOI-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cn1nccc1[C@](C)(O)C(F)(F)F 75846472 169067995 /nfs/dbraw/zinc/06/79/95/169067995.db2.gz NPNBMIORMFVDNO-LURJTMIESA-N 0 0 194.156 1.190 10 0 ADAERN Cn1ncnc1NCC1(C)CCC1 306370475 169068009 /nfs/dbraw/zinc/06/80/09/169068009.db2.gz IUNIQBIFVMCIPP-UHFFFAOYSA-N 0 0 180.255 1.417 10 0 ADAERN Cn1nnc(CO)c1C1CCCCC1 62298184 169068042 /nfs/dbraw/zinc/06/80/42/169068042.db2.gz QUOGKSZPVCQALU-UHFFFAOYSA-N 0 0 195.266 1.355 10 0 ADAERN Cn1nccc1[C@@](C)(O)C(F)(F)F 75846471 169068120 /nfs/dbraw/zinc/06/81/20/169068120.db2.gz NPNBMIORMFVDNO-ZCFIWIBFSA-N 0 0 194.156 1.190 10 0 ADAERN Cn1ncnc1SC1CCC1 306929654 169068253 /nfs/dbraw/zinc/06/82/53/169068253.db2.gz BBFUAQNJGKIXPE-UHFFFAOYSA-N 0 0 169.253 1.460 10 0 ADAERN Cn1ncnc1-c1cc(F)ccc1N 54498612 169068356 /nfs/dbraw/zinc/06/83/56/169068356.db2.gz NUTKTILIIZPTES-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1nnc(CO)c1-c1cccs1 62298220 169068413 /nfs/dbraw/zinc/06/84/13/169068413.db2.gz AFGMWDQPTWRLKO-UHFFFAOYSA-N 0 0 195.247 1.036 10 0 ADAERN Cn1nnc(C=O)c1-c1ccccc1 62298237 169068509 /nfs/dbraw/zinc/06/85/09/169068509.db2.gz AQHANKZJXUWBEL-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN Cn1nnnc1C1CCCCC1 3629780 169069214 /nfs/dbraw/zinc/06/92/14/169069214.db2.gz NHOCIKGCQZOHNI-UHFFFAOYSA-N 0 0 166.228 1.258 10 0 ADAERN Cn1nncc1-c1ccccc1 34514063 169069626 /nfs/dbraw/zinc/06/96/26/169069626.db2.gz LZUGJPIKHWRERL-UHFFFAOYSA-N 0 0 159.192 1.482 10 0 ADAERN Cn1oc(=O)c2ccccc21 28228067 169069629 /nfs/dbraw/zinc/06/96/29/169069629.db2.gz MKFTWUUKJRJMAD-UHFFFAOYSA-N 0 0 149.149 1.132 10 0 ADAERN Cn1nncc1C(=O)c1ccccc1 34240151 169069712 /nfs/dbraw/zinc/06/97/12/169069712.db2.gz RTTYZMMEDDEZBM-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN Cn1oc(-c2ccccc2)cc1=O 5423916 169069910 /nfs/dbraw/zinc/06/99/10/169069910.db2.gz BUHWRMNCTHPWFK-UHFFFAOYSA-N 0 0 175.187 1.645 10 0 ADAERN Cn1oc(=O)cc1-c1ccccc1 38611111 169070152 /nfs/dbraw/zinc/07/01/52/169070152.db2.gz UHIFBCFPFDNCNN-UHFFFAOYSA-N 0 0 175.187 1.645 10 0 ADAERN CN1OC(=O)C(c2ccccc2)C1=O 255980037 169070206 /nfs/dbraw/zinc/07/02/06/169070206.db2.gz IYEZZQCNGSGRIY-UHFFFAOYSA-N 0 0 191.186 1.351 10 0 ADAERN FC(F)(F)CNC[C@H]1CCCCO1 35151181 169070780 /nfs/dbraw/zinc/07/07/80/169070780.db2.gz YYWNPEUUJAORNZ-SSDOTTSWSA-N 0 0 197.200 1.707 10 0 ADAERN FC(F)(F)C(F)(F)[C@H]1NCCO1 31561272 169070795 /nfs/dbraw/zinc/07/07/95/169070795.db2.gz VMQCUTVOABKXPJ-VKHMYHEASA-N 0 0 191.099 1.130 10 0 ADAERN FC(F)(F)Oc1ccncc1 39089506 169070849 /nfs/dbraw/zinc/07/08/49/169070849.db2.gz BWJRNRSIHUQKLX-UHFFFAOYSA-N 0 0 163.098 1.980 10 0 ADAERN FC(F)(F)CN[C@@H]1CCSC1 19504578 169070990 /nfs/dbraw/zinc/07/09/90/169070990.db2.gz MWDNNYXIGPABFM-RXMQYKEDSA-N 0 0 185.214 1.644 10 0 ADAERN FC(F)(F)CN1CCCSCC1 335844995 169070992 /nfs/dbraw/zinc/07/09/92/169070992.db2.gz CJOHZDYEXBJJMP-UHFFFAOYSA-N 0 0 199.241 1.988 10 0 ADAERN FC(F)(F)CNCc1cnco1 41050820 169071087 /nfs/dbraw/zinc/07/10/87/169071087.db2.gz LTSHTAQTXWMOQA-UHFFFAOYSA-N 0 0 180.129 1.327 10 0 ADAERN FC(F)(F)CNC[C@@H]1CCOC1 19505159 169071100 /nfs/dbraw/zinc/07/11/00/169071100.db2.gz QODSCTABRYVMCB-LURJTMIESA-N 0 0 183.173 1.175 10 0 ADAERN FC(F)(F)CNC[C@H]1CCCO1 20070204 169071106 /nfs/dbraw/zinc/07/11/06/169071106.db2.gz LNIOGLQSYKEKRP-ZCFIWIBFSA-N 0 0 183.173 1.317 10 0 ADAERN CC[C@@H](NC(=O)N(C)C)C(C)C 136188426 343977095 /nfs/dbraw/zinc/97/70/95/343977095.db2.gz SVZVDMROFDNZNI-MRVPVSSYSA-N 0 0 172.272 1.692 10 0 ADAERN FC(F)(F)CNCC1CCOCC1 40887156 169071145 /nfs/dbraw/zinc/07/11/45/169071145.db2.gz NKYGRJCAXOHWDC-UHFFFAOYSA-N 0 0 197.200 1.565 10 0 ADAERN FC(F)(F)CN[C@H]1CCSC1 19504579 169071240 /nfs/dbraw/zinc/07/12/40/169071240.db2.gz MWDNNYXIGPABFM-YFKPBYRVSA-N 0 0 185.214 1.644 10 0 ADAERN FC(F)(F)COc1cncnc1 89224367 169071243 /nfs/dbraw/zinc/07/12/43/169071243.db2.gz QXALSUFIJNBWOK-UHFFFAOYSA-N 0 0 178.113 1.418 10 0 ADAERN FC(F)(F)N1CCCCC1 39408254 169071477 /nfs/dbraw/zinc/07/14/77/169071477.db2.gz DOBBROKMBMVCAE-UHFFFAOYSA-N 0 0 153.147 1.992 10 0 ADAERN FC(F)(F)CNCCN1CCCC1 49801844 169071563 /nfs/dbraw/zinc/07/15/63/169071563.db2.gz WNVIQBLACQZBMX-UHFFFAOYSA-N 0 0 196.216 1.234 10 0 ADAERN FC(F)(F)Cc1ncc[nH]1 82733954 169071579 /nfs/dbraw/zinc/07/15/79/169071579.db2.gz GBNOOFCFLYQKOK-UHFFFAOYSA-N 0 0 150.103 1.515 10 0 ADAERN FC(F)(F)COC1(F)N=N1 39088781 169071636 /nfs/dbraw/zinc/07/16/36/169071636.db2.gz XWRKOQLZWQAGNN-UHFFFAOYSA-N 0 0 158.054 1.612 10 0 ADAERN FC(F)(F)CNCCn1ccnc1 42223662 169071655 /nfs/dbraw/zinc/07/16/55/169071655.db2.gz JMCQQTGBSMJFQZ-UHFFFAOYSA-N 0 0 193.172 1.035 10 0 ADAERN FC(F)(F)CNC1=NCCCS1 34971986 169071695 /nfs/dbraw/zinc/07/16/95/169071695.db2.gz KSOFLEOUQKSOMV-UHFFFAOYSA-N 0 0 198.213 1.631 10 0 ADAERN FC(F)(F)CNCc1ncc[nH]1 49714445 169071740 /nfs/dbraw/zinc/07/17/40/169071740.db2.gz NMJIBCJLTHFNNY-UHFFFAOYSA-N 0 0 179.145 1.062 10 0 ADAERN FC(F)(F)CNC[C@@H]1CCCO1 20070201 169071799 /nfs/dbraw/zinc/07/17/99/169071799.db2.gz LNIOGLQSYKEKRP-LURJTMIESA-N 0 0 183.173 1.317 10 0 ADAERN FC(F)(F)OCl 104378367 169071847 /nfs/dbraw/zinc/07/18/47/169071847.db2.gz RLMUBIZOFHUHBI-UHFFFAOYSA-N 0 0 120.457 1.677 10 0 ADAERN FC(F)(F)CNCCn1cccn1 42541009 169071969 /nfs/dbraw/zinc/07/19/69/169071969.db2.gz VGKURSDMGKOEPT-UHFFFAOYSA-N 0 0 193.172 1.035 10 0 ADAERN FC(F)(F)CNC1=NCCS1 20586405 169071972 /nfs/dbraw/zinc/07/19/72/169071972.db2.gz HKYMWKIYIISYHK-UHFFFAOYSA-N 0 0 184.186 1.241 10 0 ADAERN FC(F)(F)CNc1ccncn1 40862970 169071996 /nfs/dbraw/zinc/07/19/96/169071996.db2.gz HOROZVFCEASUBM-UHFFFAOYSA-N 0 0 177.129 1.451 10 0 ADAERN FC(F)(F)CNC[C@@H]1CCCCO1 35151180 169071999 /nfs/dbraw/zinc/07/19/99/169071999.db2.gz YYWNPEUUJAORNZ-ZETCQYMHSA-N 0 0 197.200 1.707 10 0 ADAERN FC(F)(F)C(F)(F)[C@@H]1NCCO1 31561270 169072023 /nfs/dbraw/zinc/07/20/23/169072023.db2.gz VMQCUTVOABKXPJ-GSVOUGTGSA-N 0 0 191.099 1.130 10 0 ADAERN FC(F)(F)CNCc1cnccn1 37973951 169072055 /nfs/dbraw/zinc/07/20/55/169072055.db2.gz NCRPMLVACFWQHQ-UHFFFAOYSA-N 0 0 191.156 1.129 10 0 ADAERN FC(F)(F)Cc1nnc(C2CC2)[nH]1 41057692 169072056 /nfs/dbraw/zinc/07/20/56/169072056.db2.gz VFTZWAMQUKENFK-UHFFFAOYSA-N 0 0 191.156 1.787 10 0 ADAERN FC(F)(F)CNC[C@H]1CCOC1 19505160 169072060 /nfs/dbraw/zinc/07/20/60/169072060.db2.gz QODSCTABRYVMCB-ZCFIWIBFSA-N 0 0 183.173 1.175 10 0 ADAERN FC(F)(F)CONC1CC1 83268626 169072062 /nfs/dbraw/zinc/07/20/62/169072062.db2.gz GJZOJHHWSVHTBC-UHFFFAOYSA-N 0 0 155.119 1.232 10 0 ADAERN FC(F)(F)CNCc1ccon1 41670999 169072088 /nfs/dbraw/zinc/07/20/88/169072088.db2.gz ODAZGBXSTUTWCR-UHFFFAOYSA-N 0 0 180.129 1.327 10 0 ADAERN FC(F)(F)[C@@H]1NCCc2nc[nH]c21 32188269 169072233 /nfs/dbraw/zinc/07/22/33/169072233.db2.gz DQBNBIIKBRHTSA-ZCFIWIBFSA-N 0 0 191.156 1.159 10 0 ADAERN FC(F)(F)[C@H]1CC=CCN1 43464383 169072334 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/nfs/dbraw/zinc/07/74/89/169077489.db2.gz CXIHEJHFKBNGPF-SECBINFHSA-N 0 0 183.230 1.344 10 0 ADAERN FCSc1ncccn1 39052312 169077505 /nfs/dbraw/zinc/07/75/05/169077505.db2.gz PXPWKKOXLLFIBG-UHFFFAOYSA-N 0 0 144.174 1.496 10 0 ADAERN FCCONC1CCC1 90395225 169077549 /nfs/dbraw/zinc/07/75/49/169077549.db2.gz HPUFGOBOVKIIJN-UHFFFAOYSA-N 0 0 133.166 1.030 10 0 ADAERN FCCn1cnc(-c2ccccc2)n1 334376004 169077704 /nfs/dbraw/zinc/07/77/04/169077704.db2.gz DSGNUGWOQUYJHV-UHFFFAOYSA-N 0 0 191.209 1.915 10 0 ADAERN FC1CN(c2ccnc(C3CC3)n2)C1 335001931 169077792 /nfs/dbraw/zinc/07/77/92/169077792.db2.gz ZKEWZTMMPCIZRC-UHFFFAOYSA-N 0 0 193.225 1.512 10 0 ADAERN FC1CN(Cc2ccsc2)C1 307579891 169078054 /nfs/dbraw/zinc/07/80/54/169078054.db2.gz QKARXMPOLITMIM-UHFFFAOYSA-N 0 0 171.240 1.902 10 0 ADAERN FCCc1ccccn1 39050301 169078147 /nfs/dbraw/zinc/07/81/47/169078147.db2.gz LSZJRJNELBRADD-UHFFFAOYSA-N 0 0 125.146 1.594 10 0 ADAERN FCCc1ccncc1 39050297 169078155 /nfs/dbraw/zinc/07/81/55/169078155.db2.gz HVJPRNTWQRLZSW-UHFFFAOYSA-N 0 0 125.146 1.594 10 0 ADAERN FCCc1cccnc1 39050299 169078241 /nfs/dbraw/zinc/07/82/41/169078241.db2.gz XGOWXPPUKVFXJK-UHFFFAOYSA-N 0 0 125.146 1.594 10 0 ADAERN FCC1CN(Cc2cccnc2)C1 335247790 169078285 /nfs/dbraw/zinc/07/82/85/169078285.db2.gz KGQVGXYLOODBMN-UHFFFAOYSA-N 0 0 180.226 1.483 10 0 ADAERN FC[C@@H]1CCCN1Cc1ncc[nH]1 307216905 169078324 /nfs/dbraw/zinc/07/83/24/169078324.db2.gz FQEFXHXYFAFJHE-QMMMGPOBSA-N 0 0 183.230 1.344 10 0 ADAERN FCN(CF)C(F)F 39077898 169078352 /nfs/dbraw/zinc/07/83/52/169078352.db2.gz JKFXDNLAQWTXMN-UHFFFAOYSA-N 0 0 131.072 1.365 10 0 ADAERN FC[C@@H]1CCCN1CC(F)(F)F 307153467 169078380 /nfs/dbraw/zinc/07/83/80/169078380.db2.gz JYUAWVRHFMFFDL-LURJTMIESA-N 0 0 185.164 1.983 10 0 ADAERN FCCSc1nncs1 306813109 169078413 /nfs/dbraw/zinc/07/84/13/169078413.db2.gz BJBKQUFPXJVDGC-UHFFFAOYSA-N 0 0 164.230 1.600 10 0 ADAERN FCCNc1ccc(F)cn1 306223996 169078566 /nfs/dbraw/zinc/07/85/66/169078566.db2.gz CULIJNFCZDBKBL-UHFFFAOYSA-N 0 0 158.151 1.602 10 0 ADAERN FC1CN(Cc2cncs2)C1 307667038 169078609 /nfs/dbraw/zinc/07/86/09/169078609.db2.gz NXTGRARBTWEQRW-UHFFFAOYSA-N 0 0 172.228 1.297 10 0 ADAERN FC[C@@H]1CCCN1Cc1c[nH]cn1 307230065 169078679 /nfs/dbraw/zinc/07/86/79/169078679.db2.gz CXIHEJHFKBNGPF-VIFPVBQESA-N 0 0 183.230 1.344 10 0 ADAERN FCC1CN(Cc2ccco2)C1 335247620 169078705 /nfs/dbraw/zinc/07/87/05/169078705.db2.gz GCAVPWKNCKDEMO-UHFFFAOYSA-N 0 0 169.199 1.681 10 0 ADAERN FC[C@H]1CCCN1CC(F)(F)F 307153473 169078724 /nfs/dbraw/zinc/07/87/24/169078724.db2.gz JYUAWVRHFMFFDL-ZCFIWIBFSA-N 0 0 185.164 1.983 10 0 ADAERN FCC1CN(Cc2ccccn2)C1 335249534 169078729 /nfs/dbraw/zinc/07/87/29/169078729.db2.gz WCZIKHBFKNXRRK-UHFFFAOYSA-N 0 0 180.226 1.483 10 0 ADAERN FCN1CCCCC1 72231390 169078749 /nfs/dbraw/zinc/07/87/49/169078749.db2.gz IBORMJFVGXGMIR-UHFFFAOYSA-N 0 0 117.167 1.399 10 0 ADAERN FC[C@@H]1CCCN1Cc1ccon1 307248025 169078751 /nfs/dbraw/zinc/07/87/51/169078751.db2.gz AKAKVGJOVDNSGE-VIFPVBQESA-N 0 0 184.214 1.609 10 0 ADAERN FC1CN(Cc2ccncc2)C1 307408703 169078772 /nfs/dbraw/zinc/07/87/72/169078772.db2.gz DHRSHXRXGDDTDK-UHFFFAOYSA-N 0 0 166.199 1.235 10 0 ADAERN FCCSc1nc2cncnc2[nH]1 306408013 169078806 /nfs/dbraw/zinc/07/88/06/169078806.db2.gz HQBLKYJMEOPIMO-UHFFFAOYSA-N 0 0 198.226 1.415 10 0 ADAERN FCCNc1cnc2c(n1)CCCC2 306669618 169078812 /nfs/dbraw/zinc/07/88/12/169078812.db2.gz BMOBOUVPYHFSKB-UHFFFAOYSA-N 0 0 195.241 1.737 10 0 ADAERN FCOc1ccccc1 1765109 169078817 /nfs/dbraw/zinc/07/88/17/169078817.db2.gz HAXUFHXMBCWDPM-UHFFFAOYSA-N 0 0 126.130 1.992 10 0 ADAERN FCCNc1ncccc1F 306297537 169078822 /nfs/dbraw/zinc/07/88/22/169078822.db2.gz IURDSUBFJBTZCE-UHFFFAOYSA-N 0 0 158.151 1.602 10 0 ADAERN FCCn1cnc2c1CCCC2 124059751 169078874 /nfs/dbraw/zinc/07/88/74/169078874.db2.gz HHELDGSTSIPMDL-UHFFFAOYSA-N 0 0 168.215 1.731 10 0 ADAERN FCCNc1ncnc2[nH]ccc12 306246215 169078959 /nfs/dbraw/zinc/07/89/59/169078959.db2.gz NVYHNYRIRGGYRP-UHFFFAOYSA-N 0 0 180.186 1.339 10 0 ADAERN FC[C@@H]1CCCN1Cc1ccno1 307044529 169079003 /nfs/dbraw/zinc/07/90/03/169079003.db2.gz OGAJFTDAZVYRGL-QMMMGPOBSA-N 0 0 184.214 1.609 10 0 ADAERN FCCSc1cccnn1 306480839 169079046 /nfs/dbraw/zinc/07/90/46/169079046.db2.gz IQPCJDKOQVEEFY-UHFFFAOYSA-N 0 0 158.201 1.538 10 0 ADAERN FCCNc1ncc(Cl)cn1 307259733 169079062 /nfs/dbraw/zinc/07/90/62/169079062.db2.gz RKPRVJMAFFBAIW-UHFFFAOYSA-N 0 0 175.594 1.511 10 0 ADAERN FCCNc1ncnc2c1CCC2 306872419 169079079 /nfs/dbraw/zinc/07/90/79/169079079.db2.gz VCNQCTAPOCNVSE-UHFFFAOYSA-N 0 0 181.214 1.347 10 0 ADAERN FC1CN(Cc2cccs2)C1 307455569 169079103 /nfs/dbraw/zinc/07/91/03/169079103.db2.gz CPSDOODCHRSCEN-UHFFFAOYSA-N 0 0 171.240 1.902 10 0 ADAERN FC1CN(Cc2cscn2)C1 306340704 169079118 /nfs/dbraw/zinc/07/91/18/169079118.db2.gz WTMISTUFVVVRCX-UHFFFAOYSA-N 0 0 172.228 1.297 10 0 ADAERN FCCNc1cccnc1 39051673 169079124 /nfs/dbraw/zinc/07/91/24/169079124.db2.gz NOWHKHUYFNPHOW-UHFFFAOYSA-N 0 0 140.161 1.463 10 0 ADAERN FCCSC1CCOCC1 307188990 169079211 /nfs/dbraw/zinc/07/92/11/169079211.db2.gz CDDXVPUZMXJMAU-UHFFFAOYSA-N 0 0 164.245 1.868 10 0 ADAERN FCCCn1nnc2ccccc21 306345252 169079385 /nfs/dbraw/zinc/07/93/85/169079385.db2.gz DOYQRHVPDDIFGL-UHFFFAOYSA-N 0 0 179.198 1.791 10 0 ADAERN FCc1ccc2c(c1)OCO2 96327280 169079734 /nfs/dbraw/zinc/07/97/34/169079734.db2.gz BDLAAVAAUKQGBE-UHFFFAOYSA-N 0 0 154.140 1.885 10 0 ADAERN FC[C@H]1CCCN1Cc1ccon1 307248023 169079736 /nfs/dbraw/zinc/07/97/36/169079736.db2.gz AKAKVGJOVDNSGE-SECBINFHSA-N 0 0 184.214 1.609 10 0 ADAERN FC[C@H]1CCCN1Cc1ccno1 307044527 169079739 /nfs/dbraw/zinc/07/97/39/169079739.db2.gz OGAJFTDAZVYRGL-MRVPVSSYSA-N 0 0 184.214 1.609 10 0 ADAERN FC[C@H]1CCCN1c1cnccn1 306605656 169079746 /nfs/dbraw/zinc/07/97/46/169079746.db2.gz QFMCQEGYMQGTFC-MRVPVSSYSA-N 0 0 181.214 1.415 10 0 ADAERN FCc1ccn2ccnc2n1 39080266 169079764 /nfs/dbraw/zinc/07/97/64/169079764.db2.gz QEBLWFNRDUINQC-UHFFFAOYSA-N 0 0 151.144 1.199 10 0 ADAERN FN(F)c1ccncc1 39050605 169079767 /nfs/dbraw/zinc/07/97/67/169079767.db2.gz SDSOYFYVPMJCAE-UHFFFAOYSA-N 0 0 130.097 1.657 10 0 ADAERN FCc1ccnc(F)c1F 39088305 169079783 /nfs/dbraw/zinc/07/97/83/169079783.db2.gz FPQOHVXCQUNLGP-UHFFFAOYSA-N 0 0 147.099 1.829 10 0 ADAERN FCc1cccnc1 15042156 169079786 /nfs/dbraw/zinc/07/97/86/169079786.db2.gz WMCGGHPSLQFUDV-UHFFFAOYSA-N 0 0 111.119 1.551 10 0 ADAERN FCc1cn2ccccc2n1 34292298 169079820 /nfs/dbraw/zinc/07/98/20/169079820.db2.gz DFTIJGRMMLISCI-UHFFFAOYSA-N 0 0 150.156 1.804 10 0 ADAERN FCc1ccco1 107263110 169079847 /nfs/dbraw/zinc/07/98/47/169079847.db2.gz PWDLMCXYIKGCFU-UHFFFAOYSA-N 0 0 100.092 1.749 10 0 ADAERN FCc1ccccn1 15042159 169079850 /nfs/dbraw/zinc/07/98/50/169079850.db2.gz UJJMLGJZQGGQAZ-UHFFFAOYSA-N 0 0 111.119 1.551 10 0 ADAERN FN(F)N(F)F 256080717 169079948 /nfs/dbraw/zinc/07/99/48/169079948.db2.gz GFADZIUESKAXAK-UHFFFAOYSA-N 0 0 104.006 1.043 10 0 ADAERN FC[C@H]1CCCN1Cc1ncc[nH]1 307216902 169079951 /nfs/dbraw/zinc/07/99/51/169079951.db2.gz FQEFXHXYFAFJHE-MRVPVSSYSA-N 0 0 183.230 1.344 10 0 ADAERN FCc1cc[nH]c1 104611564 169079955 /nfs/dbraw/zinc/07/99/55/169079955.db2.gz XGDZIJZJTBJITG-UHFFFAOYSA-N 0 0 99.108 1.484 10 0 ADAERN FCc1cn(Cc2ccccc2)nn1 169333010 169080043 /nfs/dbraw/zinc/08/00/43/169080043.db2.gz YXKFHGWNNGSHNM-UHFFFAOYSA-N 0 0 191.209 1.796 10 0 ADAERN F[C@H]1C[C@@H]1[C@H]1C[C@H]1F 256114000 169080430 /nfs/dbraw/zinc/08/04/30/169080430.db2.gz DLWOFXLAGXKWBA-KAZBKCHUSA-N 0 0 118.126 1.702 10 0 ADAERN F[C@H]1CN(CCC2CC2)C[C@H]1F 336273463 169080511 /nfs/dbraw/zinc/08/05/11/169080511.db2.gz OGRARFRPSZXLIT-DTORHVGOSA-N 0 0 175.222 1.778 10 0 ADAERN F[C@H]1OCCC1(Cl)Cl 39088795 169080607 /nfs/dbraw/zinc/08/06/07/169080607.db2.gz SUSSAXNSBRLZAD-VKHMYHEASA-N 0 0 158.987 1.876 10 0 ADAERN F[C@H]1NCc2ccccc21 91302269 169080720 /nfs/dbraw/zinc/08/07/20/169080720.db2.gz QHHIRXCIZQLEDO-QMMMGPOBSA-N 0 0 137.157 1.758 10 0 ADAERN F[C@H]1OCC(F)(F)C1(F)F 39088965 169080777 /nfs/dbraw/zinc/08/07/77/169080777.db2.gz PZQWHSFXTUHHEO-REOHCLBHSA-N 0 0 162.057 1.583 10 0 ADAERN F[C@H]1COc2ccccc2C1 39088511 169080851 /nfs/dbraw/zinc/08/08/51/169080851.db2.gz MNNHSKKUQDWMJJ-MRVPVSSYSA-N 0 0 152.168 1.960 10 0 ADAERN Fc1cc2nc[nH]c2cn1 18544356 169081202 /nfs/dbraw/zinc/08/12/02/169081202.db2.gz JKNBSBFQFBFVPU-UHFFFAOYSA-N 0 0 137.117 1.097 10 0 ADAERN Fc1cc2nccnc2cc1F 503513 169081332 /nfs/dbraw/zinc/08/13/32/169081332.db2.gz XYNRHHBFPGAPHG-UHFFFAOYSA-N 0 0 166.130 1.908 10 0 ADAERN Fc1cc2c(cn1)NCCN2 299889192 169081549 /nfs/dbraw/zinc/08/15/49/169081549.db2.gz FTRMAXHTPHLPRR-UHFFFAOYSA-N 0 0 153.160 1.058 10 0 ADAERN Fc1cc2c(cc1F)NCCN2 57923168 169081719 /nfs/dbraw/zinc/08/17/19/169081719.db2.gz NBLHDBMJJAIACB-UHFFFAOYSA-N 0 0 170.162 1.802 10 0 ADAERN Fc1ccc(-c2c[nH]cn2)cn1 35854914 169081750 /nfs/dbraw/zinc/08/17/50/169081750.db2.gz DIQVDBYJNJZQGO-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Fc1ccc(-c2c[nH]cn2)nc1 39088984 169082130 /nfs/dbraw/zinc/08/21/30/169082130.db2.gz WMMNRRKCIRNPCZ-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Fc1ccc(-c2nccnn2)cc1 169324420 169082148 /nfs/dbraw/zinc/08/21/48/169082148.db2.gz WRTMHYDSPXVBIB-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Fc1ccc(N2CN=NC2=S)cc1 20583467 169082263 /nfs/dbraw/zinc/08/22/63/169082263.db2.gz HTVMWOBMXSEYDG-UHFFFAOYSA-N 0 0 195.222 1.695 10 0 ADAERN Fc1cc2[nH]cnc2c(F)c1F 45238609 169082288 /nfs/dbraw/zinc/08/22/88/169082288.db2.gz LGKLSNFXVBFVQN-UHFFFAOYSA-N 0 0 172.109 1.980 10 0 ADAERN Fc1ccc(NCc2cn[nH]c2)nc1 41045422 169083025 /nfs/dbraw/zinc/08/30/25/169083025.db2.gz YOIYXOQBXGXRCT-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN Fc1ccc(CNc2nc[nH]n2)cc1 17744318 169083028 /nfs/dbraw/zinc/08/30/28/169083028.db2.gz QUYHOCJOOTVQAZ-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN Fc1ccc(N2CCNC2=S)cc1 71606962 169083032 /nfs/dbraw/zinc/08/30/32/169083032.db2.gz ITDFBILQLXARKU-UHFFFAOYSA-N 0 0 196.250 1.520 10 0 ADAERN Fc1ccc(F)c([C@H]2COCCN2)c1 71507787 169083072 /nfs/dbraw/zinc/08/30/72/169083072.db2.gz RXJQMZXSNKPTSY-SNVBAGLBSA-N 0 0 199.200 1.626 10 0 ADAERN Fc1ccc(OC(F)F)c(F)n1 47203245 169083255 /nfs/dbraw/zinc/08/32/55/169083255.db2.gz FAONTRPVSWDHIO-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN Fc1ccc(NCc2ncc[nH]2)nc1 82737560 169083438 /nfs/dbraw/zinc/08/34/38/169083438.db2.gz YDQCSIMPDGNSEL-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN Fc1ccc(F)c([C@@H]2COCCN2)c1 71507786 169083576 /nfs/dbraw/zinc/08/35/76/169083576.db2.gz RXJQMZXSNKPTSY-JTQLQIEISA-N 0 0 199.200 1.626 10 0 ADAERN Fc1ccc(NC2COC2)cc1 16083063 169083673 /nfs/dbraw/zinc/08/36/73/169083673.db2.gz WCQKLZYQHNTOBA-UHFFFAOYSA-N 0 0 167.183 1.636 10 0 ADAERN Fc1ccc2c(c1)NCc1cncn1-2 82391097 169084030 /nfs/dbraw/zinc/08/40/30/169084030.db2.gz UFSYRACYWKVUES-UHFFFAOYSA-N 0 0 189.193 1.937 10 0 ADAERN Fc1ccc(=S)[nH]c1 41045255 169084135 /nfs/dbraw/zinc/08/41/35/169084135.db2.gz SIOJPOJBJKVYCE-UHFFFAOYSA-N 0 0 129.159 1.509 10 0 ADAERN Fc1ccc2c(c1)CCNC21COC1 95768106 169084146 /nfs/dbraw/zinc/08/41/46/169084146.db2.gz XROKPZFKMYZDJQ-UHFFFAOYSA-N 0 0 193.221 1.197 10 0 ADAERN Fc1ccc2c(c1)C=NCC2 34364062 169084212 /nfs/dbraw/zinc/08/42/12/169084212.db2.gz JGMIQDRFJNEVQG-UHFFFAOYSA-N 0 0 149.168 1.801 10 0 ADAERN Fc1ccc2nc(F)cnc2c1 39134290 169084235 /nfs/dbraw/zinc/08/42/35/169084235.db2.gz ROETUDGVWCNDQC-UHFFFAOYSA-N 0 0 166.130 1.908 10 0 ADAERN Fc1ccc([C@H]2C[NH2+]CO2)c(F)c1 78218125 169084461 /nfs/dbraw/zinc/08/44/61/169084461.db2.gz QCUHKMDFFVECKI-SECBINFHSA-N 0 0 185.173 1.583 10 0 ADAERN Fc1ccc2ncnc(Cl)c2n1 39116909 169084492 /nfs/dbraw/zinc/08/44/92/169084492.db2.gz WRBAPOUNYDTRKQ-UHFFFAOYSA-N 0 0 183.573 1.817 10 0 ADAERN Fc1ccc2c(c1)NCCN2 76887662 169084540 /nfs/dbraw/zinc/08/45/40/169084540.db2.gz VDTUEQGDUPSWKJ-UHFFFAOYSA-N 0 0 152.172 1.663 10 0 ADAERN Fc1ccc2n[nH]cc2c1F 89196426 169084560 /nfs/dbraw/zinc/08/45/60/169084560.db2.gz FDEWPDUOITWJSE-UHFFFAOYSA-N 0 0 154.119 1.841 10 0 ADAERN Fc1ccc([C@H]2C[NH2+]CO2)cc1F 82529870 169084629 /nfs/dbraw/zinc/08/46/29/169084629.db2.gz IMRKCZLYBCKVFO-SECBINFHSA-N 0 0 185.173 1.583 10 0 ADAERN Fc1ccc2c(c1)OCC(=S)N2 75883215 169084721 /nfs/dbraw/zinc/08/47/21/169084721.db2.gz NJGMQMRPERDGHH-UHFFFAOYSA-N 0 0 183.207 1.957 10 0 ADAERN Fc1ccc([C@@H]2COCCN2)cc1F 59675807 169084726 /nfs/dbraw/zinc/08/47/26/169084726.db2.gz YUIMDKKRMHNBOQ-JTQLQIEISA-N 0 0 199.200 1.626 10 0 ADAERN Fc1ccc([C@@H]2COCCN2)c(F)c1 71507795 169084807 /nfs/dbraw/zinc/08/48/07/169084807.db2.gz QUIDCXPVVSHCNT-JTQLQIEISA-N 0 0 199.200 1.626 10 0 ADAERN Fc1ccc2c(Cl)ncnc2n1 34500247 169084822 /nfs/dbraw/zinc/08/48/22/169084822.db2.gz TYHRDKWJKWRQJK-UHFFFAOYSA-N 0 0 183.573 1.817 10 0 ADAERN Fc1ccc([C@H]2C[NH2+]CO2)cc1 71496133 169084863 /nfs/dbraw/zinc/08/48/63/169084863.db2.gz NCCWOWNBTJAGRP-SECBINFHSA-N 0 0 167.183 1.444 10 0 ADAERN Fc1ccc2c(c1)NC(=S)CO2 75883218 169084915 /nfs/dbraw/zinc/08/49/15/169084915.db2.gz GOPYXWUQBADXOY-UHFFFAOYSA-N 0 0 183.207 1.957 10 0 ADAERN Fc1ccc([C@H]2[NH2+]CCO2)cc1 49804871 169085024 /nfs/dbraw/zinc/08/50/24/169085024.db2.gz UGHHQENBQQGGTK-VIFPVBQESA-N 0 0 167.183 1.444 10 0 ADAERN Fc1ccc([C@H]2[NH2+]CCCO2)cc1 49805685 169085238 /nfs/dbraw/zinc/08/52/38/169085238.db2.gz YGQWTLLDGFCHOY-JTQLQIEISA-N 0 0 181.210 1.834 10 0 ADAERN Fc1cccc(N2CN=NC2=S)c1 20583045 169085452 /nfs/dbraw/zinc/08/54/52/169085452.db2.gz ILHOEFJSQNFIBZ-UHFFFAOYSA-N 0 0 195.222 1.695 10 0 ADAERN Fc1cccc(CN2CCCO2)c1 306918922 169085553 /nfs/dbraw/zinc/08/55/53/169085553.db2.gz DHPQTMKNISICIG-UHFFFAOYSA-N 0 0 181.210 1.963 10 0 ADAERN Fc1cccc(Sc2nc[nH]n2)n1 40712367 169085646 /nfs/dbraw/zinc/08/56/46/169085646.db2.gz JWHWRPYWZFATAA-UHFFFAOYSA-N 0 0 196.210 1.490 10 0 ADAERN Fc1cccc(F)c1[C@@H]1COCCN1 82911706 169085660 /nfs/dbraw/zinc/08/56/60/169085660.db2.gz AARMRMMGFFIIKL-VIFPVBQESA-N 0 0 199.200 1.626 10 0 ADAERN Fc1cccc(NC2CC2)n1 40711862 169085675 /nfs/dbraw/zinc/08/56/75/169085675.db2.gz IAWNVYLIAYQDJZ-UHFFFAOYSA-N 0 0 152.172 1.795 10 0 ADAERN Fc1ccc2n[nH]c(=S)n2c1 36240817 169085754 /nfs/dbraw/zinc/08/57/54/169085754.db2.gz KTRPPIQJHWKVHM-UHFFFAOYSA-N 0 0 169.184 1.157 10 0 ADAERN Fc1cccc(OC[C@H]2CCOC2)n1 49689913 169085759 /nfs/dbraw/zinc/08/57/59/169085759.db2.gz FDFZJFBJVZHYBJ-QMMMGPOBSA-N 0 0 197.209 1.636 10 0 ADAERN Fc1cccc(-c2ncc[nH]2)n1 39089003 169085844 /nfs/dbraw/zinc/08/58/44/169085844.db2.gz RITANUMAGKGDNG-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Fc1cccc(OC[C@H]2CCCO2)n1 40711335 169085857 /nfs/dbraw/zinc/08/58/57/169085857.db2.gz CWCQOWCFZREKNS-MRVPVSSYSA-N 0 0 197.209 1.779 10 0 ADAERN Fc1cccc(C2OCCO2)n1 39017511 169085935 /nfs/dbraw/zinc/08/59/35/169085935.db2.gz OHYTXCKVXJMLOK-UHFFFAOYSA-N 0 0 169.155 1.266 10 0 ADAERN Fc1cccc(-c2c[nH]nn2)c1 95564261 169085959 /nfs/dbraw/zinc/08/59/59/169085959.db2.gz WNANQHRGHUEEFC-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Fc1cccc(OC2CCOCC2)n1 40992918 169086219 /nfs/dbraw/zinc/08/62/19/169086219.db2.gz NYLCONAOBFWPOP-UHFFFAOYSA-N 0 0 197.209 1.779 10 0 ADAERN Fc1cccc(OC[C@@H]2CCOC2)n1 49689912 169086295 /nfs/dbraw/zinc/08/62/95/169086295.db2.gz FDFZJFBJVZHYBJ-MRVPVSSYSA-N 0 0 197.209 1.636 10 0 ADAERN Fc1ccc[nH]1 35874345 169086579 /nfs/dbraw/zinc/08/65/79/169086579.db2.gz CVCDRFTUJQLDOH-UHFFFAOYSA-N 0 0 85.081 1.154 10 0 ADAERN Fc1cccc(-n2cccn2)n1 40712297 169086585 /nfs/dbraw/zinc/08/65/85/169086585.db2.gz KKVWBGJQUSMYCD-UHFFFAOYSA-N 0 0 163.155 1.406 10 0 ADAERN Fc1cccc(F)c1[C@H]1COCCN1 82911707 169086598 /nfs/dbraw/zinc/08/65/98/169086598.db2.gz AARMRMMGFFIIKL-SECBINFHSA-N 0 0 199.200 1.626 10 0 ADAERN Fc1cccc(N2CCNC2=S)c1 71606969 169086709 /nfs/dbraw/zinc/08/67/09/169086709.db2.gz YQAYVJSUNKBYIE-UHFFFAOYSA-N 0 0 196.250 1.520 10 0 ADAERN Fc1cccc(OC[C@@H]2CCCO2)n1 40711334 169086711 /nfs/dbraw/zinc/08/67/11/169086711.db2.gz CWCQOWCFZREKNS-QMMMGPOBSA-N 0 0 197.209 1.779 10 0 ADAERN Fc1cccc([C@@H]2C[NH2+]CCN2)c1F 84932340 169086771 /nfs/dbraw/zinc/08/67/71/169086771.db2.gz HZHDLLBBPWHJHS-VIFPVBQESA-N 0 0 198.216 1.199 10 0 ADAERN Fc1cccc(Cl)c1C1=NCCN1 71507758 169086841 /nfs/dbraw/zinc/08/68/41/169086841.db2.gz WJJKKOWOGRKYNA-UHFFFAOYSA-N 0 0 198.628 1.829 10 0 ADAERN Fc1cccc(CNc2nc[nH]n2)c1 83341733 169086883 /nfs/dbraw/zinc/08/68/83/169086883.db2.gz BPEYPQFPIOINSF-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN Fc1ccccc1CN1CC(F)C1 306625499 169087265 /nfs/dbraw/zinc/08/72/65/169087265.db2.gz GWAIUHCQORDOEO-UHFFFAOYSA-N 0 0 183.201 1.979 10 0 ADAERN Fc1cccc2c1CNC(=S)N2 142204 169087578 /nfs/dbraw/zinc/08/75/78/169087578.db2.gz LYFALBDFHYLCPE-UHFFFAOYSA-N 0 0 182.223 1.846 10 0 ADAERN Fc1ccccc1C1N2CCCN12 19171084 169087597 /nfs/dbraw/zinc/08/75/97/169087597.db2.gz CSVISVURIUJXBC-UHFFFAOYSA-N 0 0 178.210 1.761 10 0 ADAERN Fc1ccccc1-c1nccnn1 113761432 169087622 /nfs/dbraw/zinc/08/76/22/169087622.db2.gz KVTHICWPQRMIFA-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Fc1ccccc1C1=NNCC1 39089082 169087892 /nfs/dbraw/zinc/08/78/92/169087892.db2.gz BBRNLEKCHHZKCA-UHFFFAOYSA-N 0 0 164.183 1.523 10 0 ADAERN Fc1cccc2c1NCCN2 24625805 169087914 /nfs/dbraw/zinc/08/79/14/169087914.db2.gz KFECIVZXGGHZAJ-UHFFFAOYSA-N 0 0 152.172 1.663 10 0 ADAERN Fc1ccccc1CNC1=NCCO1 103193639 169087949 /nfs/dbraw/zinc/08/79/49/169087949.db2.gz XSBSGHCORWUWHP-UHFFFAOYSA-N 0 0 194.209 1.302 10 0 ADAERN Fc1cccc([C@@H]2COCCN2)c1F 76136549 169088081 /nfs/dbraw/zinc/08/80/81/169088081.db2.gz ZAPUYZCVRHRGBH-VIFPVBQESA-N 0 0 199.200 1.626 10 0 ADAERN Fc1cccc([C@H]2COCCN2)c1F 76136550 169088315 /nfs/dbraw/zinc/08/83/15/169088315.db2.gz ZAPUYZCVRHRGBH-SECBINFHSA-N 0 0 199.200 1.626 10 0 ADAERN Fc1cccc2c1CCOC2 24624347 169088382 /nfs/dbraw/zinc/08/83/82/169088382.db2.gz VTYYNXMEICYCDH-UHFFFAOYSA-N 0 0 152.168 1.898 10 0 ADAERN Fc1ccccc1-n1nnnc1Cl 40541626 169088406 /nfs/dbraw/zinc/08/84/06/169088406.db2.gz XCVPNZQRQFXICD-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN Fc1ccccc1NC1COC1 76595849 169088451 /nfs/dbraw/zinc/08/84/51/169088451.db2.gz LHJMFXNKSGWGAM-UHFFFAOYSA-N 0 0 167.183 1.636 10 0 ADAERN Fc1ccccc1CNc1nc[nH]n1 20879883 169088497 /nfs/dbraw/zinc/08/84/97/169088497.db2.gz JSTAMFGYBJLTIK-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN Fc1cncc2c1NCCN2 299890113 169088785 /nfs/dbraw/zinc/08/87/85/169088785.db2.gz ULRSZNPHGGOWNJ-UHFFFAOYSA-N 0 0 153.160 1.058 10 0 ADAERN Fc1cnn(C(F)F)c1 299889137 169088803 /nfs/dbraw/zinc/08/88/03/169088803.db2.gz DXZDUUDVEDWPOV-UHFFFAOYSA-N 0 0 136.076 1.417 10 0 ADAERN Fc1cnc2[nH]c(C3CC3)nc2c1 74326930 169088928 /nfs/dbraw/zinc/08/89/28/169088928.db2.gz DNHBAPXLGRWVDJ-UHFFFAOYSA-N 0 0 177.182 1.974 10 0 ADAERN Fc1ccccc1[C@@H]1NCCCO1 49805680 169088970 /nfs/dbraw/zinc/08/89/70/169088970.db2.gz UGBFDOPEPZQURK-SNVBAGLBSA-N 0 0 181.210 1.834 10 0 ADAERN Fc1cnc(N2CCC23CCC3)nc1 336338986 169089016 /nfs/dbraw/zinc/08/90/16/169089016.db2.gz CNHXEZRJEQWTCA-UHFFFAOYSA-N 0 0 193.225 1.749 10 0 ADAERN Fc1cnc(Cl)nc1F 113614282 169089051 /nfs/dbraw/zinc/08/90/51/169089051.db2.gz IFJJGURBXOAWDJ-UHFFFAOYSA-N 0 0 150.515 1.408 10 0 ADAERN Fc1cncc(F)c1OC(F)F 47203248 169089072 /nfs/dbraw/zinc/08/90/72/169089072.db2.gz LHMPPKDOYRIEQB-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN Fc1ccccc1[C@H]1NCCCO1 49805681 169089096 /nfs/dbraw/zinc/08/90/96/169089096.db2.gz UGBFDOPEPZQURK-JTQLQIEISA-N 0 0 181.210 1.834 10 0 ADAERN Fc1cnn(-c2ccccn2)c1 299890449 169089119 /nfs/dbraw/zinc/08/91/19/169089119.db2.gz ZWYWWUBMBUVZMO-UHFFFAOYSA-N 0 0 163.155 1.406 10 0 ADAERN Fc1cnc(OC(F)F)c(F)c1 47203246 169089121 /nfs/dbraw/zinc/08/91/21/169089121.db2.gz SVHZJZDDZXRCQM-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN Fc1cnc(Cl)nc1-n1cccn1 85786139 169089127 /nfs/dbraw/zinc/08/91/27/169089127.db2.gz GUDTVUGIYQVNOE-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN Fc1cnc2c(c1)COCC2 95761507 169089129 /nfs/dbraw/zinc/08/91/29/169089129.db2.gz OCPPFEJEMDXSPT-UHFFFAOYSA-N 0 0 153.156 1.293 10 0 ADAERN Fc1cnc(N2CC[C@@H]2C2CC2)nc1 336198855 169089133 /nfs/dbraw/zinc/08/91/33/169089133.db2.gz VBKAVOLIAHLZPD-SECBINFHSA-N 0 0 193.225 1.604 10 0 ADAERN Fc1cccnc1NCc1cn[nH]c1 54700657 169089194 /nfs/dbraw/zinc/08/91/94/169089194.db2.gz SMTDQPFUUUBCKY-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN Fc1cncnc1NC1CC1 95077142 169089201 /nfs/dbraw/zinc/08/92/01/169089201.db2.gz KWQDATWRVGQWJI-UHFFFAOYSA-N 0 0 153.160 1.190 10 0 ADAERN Fc1cnn(CC(F)(F)F)c1 95774396 169089234 /nfs/dbraw/zinc/08/92/34/169089234.db2.gz HUYGIRMJDXHYJB-UHFFFAOYSA-N 0 0 168.093 1.585 10 0 ADAERN Fc1cnc(N[C@H]2CC23CC3)nc1 335103534 169089318 /nfs/dbraw/zinc/08/93/18/169089318.db2.gz DFQPEWRXVBBXFH-ZETCQYMHSA-N 0 0 179.198 1.580 10 0 ADAERN Fc1cnn(-c2cccnc2)c1 299888946 169089320 /nfs/dbraw/zinc/08/93/20/169089320.db2.gz AZADTZGCNQPPGW-UHFFFAOYSA-N 0 0 163.155 1.406 10 0 ADAERN Fc1cnc(Cl)nc1-n1ccnc1 38916829 169089356 /nfs/dbraw/zinc/08/93/56/169089356.db2.gz XXVXUNXAFGVMEX-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN Fc1cnc2c(c1)CCCN2 299889895 169089388 /nfs/dbraw/zinc/08/93/88/169089388.db2.gz QMYPTONTWGXJDI-UHFFFAOYSA-N 0 0 152.172 1.579 10 0 ADAERN Fc1cnc(N[C@@H]2C[C@H]2C2CC2)nc1 306220741 169089397 /nfs/dbraw/zinc/08/93/97/169089397.db2.gz IIBKYYMPUOXYAI-DTWKUNHWSA-N 0 0 193.225 1.826 10 0 ADAERN Fc1cnc2cccnc2c1 169264607 169089463 /nfs/dbraw/zinc/08/94/63/169089463.db2.gz BZQSONYBXCNVHU-UHFFFAOYSA-N 0 0 148.140 1.769 10 0 ADAERN Fc1ccncc1OC1CC1 95724095 169089480 /nfs/dbraw/zinc/08/94/80/169089480.db2.gz HSNPJXHBMUQIPY-UHFFFAOYSA-N 0 0 153.156 1.762 10 0 ADAERN Fc1ccccc1[C@H]1NCCO1 49804869 169089574 /nfs/dbraw/zinc/08/95/74/169089574.db2.gz RHUPIINYMSGSEE-VIFPVBQESA-N 0 0 167.183 1.444 10 0 ADAERN Fc1cnc(N2CC[C@H]2C2CC2)nc1 336198857 169089613 /nfs/dbraw/zinc/08/96/13/169089613.db2.gz VBKAVOLIAHLZPD-VIFPVBQESA-N 0 0 193.225 1.604 10 0 ADAERN Fc1cscn1 39134455 169089626 /nfs/dbraw/zinc/08/96/26/169089626.db2.gz PKWRCSYBKGMADR-UHFFFAOYSA-N 0 0 103.121 1.282 10 0 ADAERN Fc1ccccc1[C@@H]1NCCO1 49804868 169089721 /nfs/dbraw/zinc/08/97/21/169089721.db2.gz RHUPIINYMSGSEE-SECBINFHSA-N 0 0 167.183 1.444 10 0 ADAERN Fc1ccnc(-c2ncc[nH]2)c1 96663763 169089783 /nfs/dbraw/zinc/08/97/83/169089783.db2.gz HWRJEOPGSXVGSH-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Fc1ccco1 34364477 169089786 /nfs/dbraw/zinc/08/97/86/169089786.db2.gz ZPUVAVPHTZUONL-UHFFFAOYSA-N 0 0 86.065 1.419 10 0 ADAERN Fc1cnc(N[C@@H]2CC23CC3)nc1 335103533 169089875 /nfs/dbraw/zinc/08/98/75/169089875.db2.gz DFQPEWRXVBBXFH-SSDOTTSWSA-N 0 0 179.198 1.580 10 0 ADAERN Fc1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1 306898997 169089909 /nfs/dbraw/zinc/08/99/09/169089909.db2.gz YTBJJIKCSBKDSW-SRSLHRDFSA-N 0 0 193.225 1.826 10 0 ADAERN Fc1cnc2ocnc2c1 18551829 169089915 /nfs/dbraw/zinc/08/99/15/169089915.db2.gz MWEKDRPSCNUNQQ-UHFFFAOYSA-N 0 0 138.101 1.362 10 0 ADAERN Fc1nc(Cl)nc(Cl)n1 2578788 169089930 /nfs/dbraw/zinc/08/99/30/169089930.db2.gz RHAIZNLUYMALOF-UHFFFAOYSA-N 0 0 167.958 1.318 10 0 ADAERN IC1=CCOC1 95774243 169090085 /nfs/dbraw/zinc/09/00/85/169090085.db2.gz IZHARWSDHCOXMN-UHFFFAOYSA-N 0 0 195.987 1.336 10 0 ADAERN Ic1cc[nH]n1 38534171 169090086 /nfs/dbraw/zinc/09/00/86/169090086.db2.gz LHJPTXBAXFXJMK-UHFFFAOYSA-N 0 0 193.975 1.729 10 0 ADAERN Fc1ncc(-c2cccnc2)cn1 47213748 169090110 /nfs/dbraw/zinc/09/01/10/169090110.db2.gz ROAQFYMCXLJMHH-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Fc1nccc2c(Cl)ncnc12 95762347 169090158 /nfs/dbraw/zinc/09/01/58/169090158.db2.gz YPBQBHZZJOYFDH-UHFFFAOYSA-N 0 0 183.573 1.817 10 0 ADAERN Fc1nccc(C(F)(F)F)n1 96394976 169090181 /nfs/dbraw/zinc/09/01/81/169090181.db2.gz JUNSLYVNEPJSIA-UHFFFAOYSA-N 0 0 166.077 1.635 10 0 ADAERN Fc1nccc2n[nH]cc12 95935602 169090227 /nfs/dbraw/zinc/09/02/27/169090227.db2.gz CUDTUWXPZSRGIU-UHFFFAOYSA-N 0 0 137.117 1.097 10 0 ADAERN Fc1ncnc2[nH]ccc12 221261450 169090233 /nfs/dbraw/zinc/09/02/33/169090233.db2.gz ORQHFSOUNIIZLA-UHFFFAOYSA-N 0 0 137.117 1.097 10 0 ADAERN Fc1cnc(F)c2[nH]cnc12 89203281 169090282 /nfs/dbraw/zinc/09/02/82/169090282.db2.gz QBPJSVISRPFKIQ-UHFFFAOYSA-N 0 0 155.107 1.236 10 0 ADAERN Fc1ncc(-c2ccncc2)c(F)n1 47212785 169090309 /nfs/dbraw/zinc/09/03/09/169090309.db2.gz HKEFOALBHJIZTC-UHFFFAOYSA-N 0 0 193.156 1.817 10 0 ADAERN Fc1ncc(-c2ccncc2)cn1 47213749 169090323 /nfs/dbraw/zinc/09/03/23/169090323.db2.gz MKSCOBFCIFBYJI-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN Fc1nc[nH]c1C(F)(F)F 32250011 169090353 /nfs/dbraw/zinc/09/03/53/169090353.db2.gz JHXPPUWUZGMSQG-UHFFFAOYSA-N 0 0 154.066 1.568 10 0 ADAERN Fc1ncnc(F)c1Cl 34343457 169090358 /nfs/dbraw/zinc/09/03/58/169090358.db2.gz DQNOKARDYNQFLN-UHFFFAOYSA-N 0 0 150.515 1.408 10 0 ADAERN Fc1ncc(C(F)(F)F)c(F)n1 38266207 169090404 /nfs/dbraw/zinc/09/04/04/169090404.db2.gz YXYCPKOAGWDZKX-UHFFFAOYSA-N 0 0 184.067 1.774 10 0 ADAERN Fc1ncc2ccccc2n1 6118690 169090507 /nfs/dbraw/zinc/09/05/07/169090507.db2.gz CJGKNWNOOUZIDB-UHFFFAOYSA-N 0 0 148.140 1.769 10 0 ADAERN Fc1ncc(-c2cccnc2)c(F)n1 47212783 169090509 /nfs/dbraw/zinc/09/05/09/169090509.db2.gz FHFAMJYVCQUMJC-UHFFFAOYSA-N 0 0 193.156 1.817 10 0 ADAERN Cc1nc(-c2sc(N)cc2C)n[nH]1 104184194 168930313 /nfs/dbraw/zinc/93/03/13/168930313.db2.gz INFDJNPVFJIPAI-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1nc(-c2nnc(N)o2)c(C)s1 13365354 168930630 /nfs/dbraw/zinc/93/06/30/168930630.db2.gz RCGJDTPQHNEPNX-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN Cc1nc(Br)sc1N 82388555 168930637 /nfs/dbraw/zinc/93/06/37/168930637.db2.gz RZBZCNZQGWNLGF-UHFFFAOYSA-N 0 0 193.069 1.796 10 0 ADAERN Cc1nc(-c2ccco2)nc(C)c1N 77274576 168930657 /nfs/dbraw/zinc/93/06/57/168930657.db2.gz IOKCEXHZKBHKSU-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1nc(-c2nncn2C)cs1 2540483 168931012 /nfs/dbraw/zinc/93/10/12/168931012.db2.gz ONHGBDPMMFCHJO-UHFFFAOYSA-N 0 0 180.236 1.247 10 0 ADAERN Cc1nc(-c2cnc(N)cn2)cs1 44117601 168931018 /nfs/dbraw/zinc/93/10/18/168931018.db2.gz SQBBAQKWOWILMP-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1nc(C(=O)N[C@@H]2C[C@H]2C)c(C)o1 334152783 168931769 /nfs/dbraw/zinc/93/17/69/168931769.db2.gz MVMREDGJLJGJDO-SVGQVSJJSA-N 0 0 194.234 1.430 10 0 ADAERN Cc1nc(N)c(C(=O)OC(C)(C)C)[nH]1 39084445 168931874 /nfs/dbraw/zinc/93/18/74/168931874.db2.gz RNDYSAKJSIZOQC-UHFFFAOYSA-N 0 0 197.238 1.256 10 0 ADAERN Cc1nc(C(=O)N2[C@H](C)C[C@H]2C)no1 336083263 168932150 /nfs/dbraw/zinc/93/21/50/168932150.db2.gz FPHUAYFNKBJMBZ-PHDIDXHHSA-N 0 0 195.222 1.001 10 0 ADAERN Cc1nc(C(=O)N2[C@@H](C)C[C@H]2C)no1 336083252 168932916 /nfs/dbraw/zinc/93/29/16/168932916.db2.gz FPHUAYFNKBJMBZ-OLQVQODUSA-N 0 0 195.222 1.001 10 0 ADAERN Cc1nc(C)c(C2OCCO2)s1 44231478 168933139 /nfs/dbraw/zinc/93/31/39/168933139.db2.gz RLJHHWMKEYMGNM-UHFFFAOYSA-N 0 0 185.248 1.805 10 0 ADAERN N#CN1CC(OCC2CCCCC2)C1 13529456 169105115 /nfs/dbraw/zinc/10/51/15/169105115.db2.gz YQKMEJDAMLDEFV-UHFFFAOYSA-N 0 0 194.278 1.749 10 0 ADAERN N#CN1CC(OCc2ccccc2)C1 13861435 169105447 /nfs/dbraw/zinc/10/54/47/169105447.db2.gz FYNJJNPBLZGHGM-UHFFFAOYSA-N 0 0 188.230 1.368 10 0 ADAERN N#CN(CCO)c1ccccc1Cl 306344162 169106118 /nfs/dbraw/zinc/10/61/18/169106118.db2.gz CFKLSGHLCJQWBL-UHFFFAOYSA-N 0 0 196.637 1.620 10 0 ADAERN N#CN1CCn2c1nc1ccccc12 95923132 169106605 /nfs/dbraw/zinc/10/66/05/169106605.db2.gz HDWXNOUAEIPEAS-UHFFFAOYSA-N 0 0 184.202 1.337 10 0 ADAERN N#CN1CCc2ccccc2C1 4771411 169106614 /nfs/dbraw/zinc/10/66/14/169106614.db2.gz JDANZQPMEFJIRO-UHFFFAOYSA-N 0 0 158.204 1.526 10 0 ADAERN N#CNc1ncc(Br)cn1 253570014 169106850 /nfs/dbraw/zinc/10/68/50/169106850.db2.gz NAYYFDBBYMEBAL-UHFFFAOYSA-N 0 0 199.011 1.132 10 0 ADAERN N#CNc1ccc(O)cc1 62715276 169106887 /nfs/dbraw/zinc/10/68/87/169106887.db2.gz LAXJJCOCYPMUEU-UHFFFAOYSA-N 0 0 134.138 1.285 10 0 ADAERN N#CNc1cc(NC#N)cc(NC#N)c1 15938132 169106909 /nfs/dbraw/zinc/10/69/09/169106909.db2.gz JUZWHJSQGXTZAP-UHFFFAOYSA-N 0 0 198.189 1.366 10 0 ADAERN N#CNc1cccc2c1NCC2 89210402 169106912 /nfs/dbraw/zinc/10/69/12/169106912.db2.gz PPYCDZFQRSHLRK-UHFFFAOYSA-N 0 0 159.192 1.548 10 0 ADAERN N#CNc1n[nH]c2ccccc12 39134097 169106986 /nfs/dbraw/zinc/10/69/86/169106986.db2.gz HMVRBLZHUSWZAS-UHFFFAOYSA-N 0 0 158.164 1.456 10 0 ADAERN N#CNc1cncc(Cl)n1 253576891 169106991 /nfs/dbraw/zinc/10/69/91/169106991.db2.gz WKCMARLALMGEOG-UHFFFAOYSA-N 0 0 154.560 1.023 10 0 ADAERN N#CNCCc1ccccc1 38282081 169107036 /nfs/dbraw/zinc/10/70/36/169107036.db2.gz ILURHDNYPWZLFB-UHFFFAOYSA-N 0 0 146.193 1.300 10 0 ADAERN N#CNc1cccc(CO)c1 39061709 169107062 /nfs/dbraw/zinc/10/70/62/169107062.db2.gz ZVPQDYXUCIZPPH-UHFFFAOYSA-N 0 0 148.165 1.072 10 0 ADAERN N#CNC1CCCCC1 33798728 169107078 /nfs/dbraw/zinc/10/70/78/169107078.db2.gz ZGRLGFKOEKVVCC-UHFFFAOYSA-N 0 0 124.187 1.390 10 0 ADAERN N#CNc1nc2cc(F)ccc2[nH]1 95922909 169107108 /nfs/dbraw/zinc/10/71/08/169107108.db2.gz HMRITOJKYUMKJJ-UHFFFAOYSA-N 0 0 176.154 1.595 10 0 ADAERN N#CNc1nccnc1Cl 253567198 169107119 /nfs/dbraw/zinc/10/71/19/169107119.db2.gz JVPXFMMONCXDCF-UHFFFAOYSA-N 0 0 154.560 1.023 10 0 ADAERN [NH3+]C[C@H]1CCC[C@@H](CC(=O)[O-])C1 34156957 169216605 /nfs/dbraw/zinc/21/66/05/169216605.db2.gz MESNBSCCFMELNF-SFYZADRCSA-N 0 0 171.240 1.226 10 0 ADAERN NC(N=O)=C1C=C(Cl)N=CC1 103804576 169132895 /nfs/dbraw/zinc/13/28/95/169132895.db2.gz QPDJACOJOPRGHN-GQCTYLIASA-N 0 0 171.587 1.120 10 0 in-vitro ADAERN N/C=C\c1ccccn1 100304624 169133845 /nfs/dbraw/zinc/13/38/45/169133845.db2.gz KGYRAFNGGFEXGS-PLNGDYQASA-N 0 0 120.155 1.011 10 0 ADAERN N/C=C1/CCCc2[nH]ccc21 104909405 169133910 /nfs/dbraw/zinc/13/39/10/169133910.db2.gz OCEHDUSRAUBIHK-SREVYHEPSA-N 0 0 148.209 1.651 10 0 ADAERN N/C=C\c1ccncc1 100186799 169134178 /nfs/dbraw/zinc/13/41/78/169134178.db2.gz YJDNKMUZKQRGCY-RJRFIUFISA-N 0 0 120.155 1.011 10 0 ADAERN N/C=C/c1cncs1 211756748 169134478 /nfs/dbraw/zinc/13/44/78/169134478.db2.gz KGFSJDWFRHLFNP-OWOJBTEDSA-N 0 0 126.184 1.073 10 0 ADAERN N/C=C/c1ccncc1 100137259 169134856 /nfs/dbraw/zinc/13/48/56/169134856.db2.gz YJDNKMUZKQRGCY-DAFODLJHSA-N 0 0 120.155 1.011 10 0 ADAERN N/C=C\C=C/c1ccncc1 39054486 169135046 /nfs/dbraw/zinc/13/50/46/169135046.db2.gz PYFWPIRDKIGUSD-SJDXMKNESA-N 0 0 146.193 1.567 10 0 ADAERN N/C=C\c1cccnc1 100304625 169135166 /nfs/dbraw/zinc/13/51/66/169135166.db2.gz LCTZAVXIVLCKMH-ARJAWSKDSA-N 0 0 120.155 1.011 10 0 ADAERN N/C=C/c1nccs1 211756671 169135446 /nfs/dbraw/zinc/13/54/46/169135446.db2.gz JHFWRROZVDMANI-OWOJBTEDSA-N 0 0 126.184 1.073 10 0 ADAERN N=C(Cl)[C@H](O)c1ccccc1 100194732 169135727 /nfs/dbraw/zinc/13/57/27/169135727.db2.gz OAVCSTVEAHLXPI-SSDOTTSWSA-N 0 0 169.611 1.936 10 0 ADAERN N=C(Cl)[C@@H](O)c1ccccc1 100194727 169135856 /nfs/dbraw/zinc/13/58/56/169135856.db2.gz OAVCSTVEAHLXPI-ZETCQYMHSA-N 0 0 169.611 1.936 10 0 ADAERN N=C(CF)Nc1cccc(CO)c1 13780456 169136476 /nfs/dbraw/zinc/13/64/76/169136476.db2.gz PPQWWAOFZKVUOS-UHFFFAOYSA-N 0 0 182.198 1.538 10 0 ADAERN [NH2+]=C(CCC(=O)[O-])Nc1ccccc1 39291953 169136861 /nfs/dbraw/zinc/13/68/61/169136861.db2.gz YNSJRVZLXJGLPO-UHFFFAOYSA-N 0 0 192.218 1.941 10 0 ADAERN N=C(Cl)c1ccccn1 95931789 169136867 /nfs/dbraw/zinc/13/68/67/169136867.db2.gz QPHNCXIHRZHLNZ-UHFFFAOYSA-N 0 0 140.573 1.646 10 0 ADAERN N=C(N)c1c(F)ccc(F)c1F 75847643 169139537 /nfs/dbraw/zinc/13/95/37/169139537.db2.gz YGAFQIUAGDQWEK-UHFFFAOYSA-N 0 0 174.125 1.388 10 0 ADAERN NC(=[NH2+])c1n[nH]cc1-c1ccccc1 75847952 169139968 /nfs/dbraw/zinc/13/99/68/169139968.db2.gz SCVNTNKQQMCJLM-UHFFFAOYSA-N 0 0 186.218 1.361 10 0 ADAERN N=C(N)c1cnc(-c2ccco2)s1 82417760 169140575 /nfs/dbraw/zinc/14/05/75/169140575.db2.gz QQLJUSQDLPCKBG-UHFFFAOYSA-N 0 0 193.231 1.687 10 0 ADAERN N=C(N)c1nnc(-c2ccccc2)o1 75847953 169140635 /nfs/dbraw/zinc/14/06/35/169140635.db2.gz NNNWDJAXYGMSBT-UHFFFAOYSA-N 0 0 188.190 1.021 10 0 ADAERN NC(=[NH2+])c1ccc([O-])c(Cl)c1 42410880 169140676 /nfs/dbraw/zinc/14/06/76/169140676.db2.gz WDTKJQXTAFPVKX-UHFFFAOYSA-N 0 0 170.599 1.330 10 0 ADAERN N=C(N)c1nc2ccccc2o1 75847704 169140752 /nfs/dbraw/zinc/14/07/52/169140752.db2.gz UZPKQDZITYXLCU-UHFFFAOYSA-N 0 0 161.164 1.112 10 0 ADAERN N=C(N)c1nc2cc(Cl)ccc2o1 75847965 169140898 /nfs/dbraw/zinc/14/08/98/169140898.db2.gz KETPCFRVMXBOLD-UHFFFAOYSA-N 0 0 195.609 1.765 10 0 ADAERN N=C(N)c1ncc(-c2ccncc2)o1 75847962 169140932 /nfs/dbraw/zinc/14/09/32/169140932.db2.gz JWAOTFOBESTLJS-UHFFFAOYSA-N 0 0 188.190 1.021 10 0 ADAERN N=C(N)c1nc2ccc(O)cc2s1 45236314 169141206 /nfs/dbraw/zinc/14/12/06/169141206.db2.gz XPEKDCDAFUBDHJ-UHFFFAOYSA-N 0 0 193.231 1.286 10 0 ADAERN N=C(N)c1nc2ccc(Cl)cc2o1 75847969 169141241 /nfs/dbraw/zinc/14/12/41/169141241.db2.gz DJLYWKRESKDRLR-UHFFFAOYSA-N 0 0 195.609 1.765 10 0 ADAERN N=C(N)c1nc2cc(F)ccc2s1 75847718 169141468 /nfs/dbraw/zinc/14/14/68/169141468.db2.gz GBGWKGUFJZBKGY-UHFFFAOYSA-N 0 0 195.222 1.719 10 0 ADAERN N=C(N)c1noc2ccccc12 84290582 169141631 /nfs/dbraw/zinc/14/16/31/169141631.db2.gz PPWGJDNKTUZLHO-UHFFFAOYSA-N 0 0 161.164 1.112 10 0 ADAERN N=C(N)c1nc2c(s1)CSCC2 75847723 169141635 /nfs/dbraw/zinc/14/16/35/169141635.db2.gz CREHMDJZHVKTSI-UHFFFAOYSA-N 0 0 199.304 1.216 10 0 ADAERN N=C(N)c1nc2c(s1)CCCC2 75847714 169141703 /nfs/dbraw/zinc/14/17/03/169141703.db2.gz CICQPTBRUYQCQH-UHFFFAOYSA-N 0 0 181.264 1.306 10 0 ADAERN N=C(N)c1nc2ccc(F)cc2s1 75847717 169141719 /nfs/dbraw/zinc/14/17/19/169141719.db2.gz RZNISCWYSOLQAY-UHFFFAOYSA-N 0 0 195.222 1.719 10 0 ADAERN N=C(N)c1nc2ccc(N)cc2s1 75847715 169141893 /nfs/dbraw/zinc/14/18/93/169141893.db2.gz UHONPLWBEFEOPR-UHFFFAOYSA-N 0 0 192.247 1.163 10 0 ADAERN N=C(N)c1ncc(-c2ccccc2)o1 75847958 169142027 /nfs/dbraw/zinc/14/20/27/169142027.db2.gz RZDUJCWHBLKKAX-UHFFFAOYSA-N 0 0 187.202 1.626 10 0 ADAERN NC(=O)CC(=O)Nc1ccccc1O 335737996 169142345 /nfs/dbraw/zinc/14/23/45/169142345.db2.gz VIGRNGONRWYGKH-UHFFFAOYSA-N 0 0 194.190 1.256 10 0 ADAERN NC(=O)CC(=O)Nc1cncc(F)c1 336476201 169142385 /nfs/dbraw/zinc/14/23/85/169142385.db2.gz PUGLTHGOQBPFTG-UHFFFAOYSA-N 0 0 197.169 1.085 10 0 ADAERN NC(=O)c1c[nH]nc1-c1ccncc1 335875229 169142395 /nfs/dbraw/zinc/14/23/95/169142395.db2.gz CNTBRJYDTHUCGK-UHFFFAOYSA-N 0 0 188.190 1.355 10 0 ADAERN N=C(Oc1ccccc1)n1ccnc1 39090325 169142396 /nfs/dbraw/zinc/14/23/96/169142396.db2.gz HKLZLKLGEKECTD-UHFFFAOYSA-N 0 0 187.202 1.745 10 0 ADAERN N=C1CC(c2ccccc2)=NO1 100279536 169142417 /nfs/dbraw/zinc/14/24/17/169142417.db2.gz CQNLZEPTUMMAHE-UHFFFAOYSA-N 0 0 160.176 1.788 10 0 ADAERN NC(=O)c1cc2ccccc2c(=O)o1 335858159 169142429 /nfs/dbraw/zinc/14/24/29/169142429.db2.gz CUXILBAOCAMJIM-UHFFFAOYSA-N 0 0 189.170 1.676 10 0 ADAERN [NH2+]=C(NO)c1ccc2ncccc2c1 62801448 169142482 /nfs/dbraw/zinc/14/24/82/169142482.db2.gz MLCHRNMXZYCJGE-UHFFFAOYSA-N 0 0 187.202 1.539 10 0 ADAERN N=C(NO)c1c(F)cc(F)cc1F 75848033 169142514 /nfs/dbraw/zinc/14/25/14/169142514.db2.gz VRWCDGGYGCJXNK-UHFFFAOYSA-N 0 0 190.124 1.408 10 0 ADAERN N=C(NO)c1nc2ccccc2o1 75848114 169142532 /nfs/dbraw/zinc/14/25/32/169142532.db2.gz PLAMEVJBIRRUEU-UHFFFAOYSA-N 0 0 177.163 1.132 10 0 ADAERN NC(=O)c1cccc2ccc(=O)[nH]c12 335136319 169142553 /nfs/dbraw/zinc/14/25/53/169142553.db2.gz UOJIWZWHOOMTBH-UHFFFAOYSA-N 0 0 188.186 1.824 10 0 ADAERN N=C(NO)c1nc2ccccc2s1 75848108 169142647 /nfs/dbraw/zinc/14/26/47/169142647.db2.gz AABQDBQESXHFBX-UHFFFAOYSA-N 0 0 193.231 1.600 10 0 ADAERN NC(=O)CC(=O)N1CC[C@H](C2CC2)C1 334483697 169142658 /nfs/dbraw/zinc/14/26/58/169142658.db2.gz YQEBCEIPVHQHRB-QMMMGPOBSA-N 0 0 196.250 1.170 10 0 ADAERN NC(=O)c1cc2nccnc2cc1F 336569437 169142689 /nfs/dbraw/zinc/14/26/89/169142689.db2.gz BACAMVLFKUEOQK-UHFFFAOYSA-N 0 0 191.165 1.652 10 0 ADAERN N=C(c1cnccn1)N1CCCCC1 62995475 169142735 /nfs/dbraw/zinc/14/27/35/169142735.db2.gz QASFYDNJNBNTLN-UHFFFAOYSA-N 0 0 190.250 1.288 10 0 ADAERN Nc1c(F)ccnc1F 299889146 169142780 /nfs/dbraw/zinc/14/27/80/169142780.db2.gz FDGVLDPYBBJGDU-GSVOUGTGSA-N 0 0 130.097 1.240 10 0 ADAERN N=C1CC2(CC2)CO1 33975115 169142859 /nfs/dbraw/zinc/14/28/59/169142859.db2.gz ZNTIIPIDAAYANL-UHFFFAOYSA-N 0 0 111.144 1.164 10 0 ADAERN NC(=O)CC(=O)N[C@@H]1CC12CCCC2 336117680 169142946 /nfs/dbraw/zinc/14/29/46/169142946.db2.gz WDYWQVDPDPLOBX-SSDOTTSWSA-N 0 0 196.250 1.361 10 0 ADAERN N=C(NO)c1c(F)ccc(F)c1F 75848034 169143013 /nfs/dbraw/zinc/14/30/13/169143013.db2.gz OPANKEUHFKJFRH-UHFFFAOYSA-N 0 0 190.124 1.408 10 0 ADAERN NC(=O)CC(=O)N1CC[C@@H](C2CC2)C1 334483696 169143127 /nfs/dbraw/zinc/14/31/27/169143127.db2.gz YQEBCEIPVHQHRB-MRVPVSSYSA-N 0 0 196.250 1.170 10 0 ADAERN NC(=O)c1cccc(-n2ccnn2)c1 335011681 169143188 /nfs/dbraw/zinc/14/31/88/169143188.db2.gz DCWBMPQWJLPSQN-UHFFFAOYSA-N 0 0 188.190 1.151 10 0 ADAERN NC(=O)CC(=O)Nc1ccc(F)cn1 334430722 169143193 /nfs/dbraw/zinc/14/31/93/169143193.db2.gz VMAJYVZXFRXPSF-UHFFFAOYSA-N 0 0 197.169 1.085 10 0 ADAERN N=C(NO)c1cc2cnccc2o1 143440400 169143227 /nfs/dbraw/zinc/14/32/27/169143227.db2.gz ULBHHJPCNKQIIB-UHFFFAOYSA-N 0 0 177.163 1.132 10 0 ADAERN NC(=O)c1cc(F)cc2nccnc12 336507709 169143238 /nfs/dbraw/zinc/14/32/38/169143238.db2.gz FCVIFWOOOXWXEY-UHFFFAOYSA-N 0 0 191.165 1.652 10 0 ADAERN NC(=O)CC(=O)N1CCCC12CCC2 336182621 169143252 /nfs/dbraw/zinc/14/32/52/169143252.db2.gz GLDPEOLJHHUWTD-UHFFFAOYSA-N 0 0 196.250 1.457 10 0 ADAERN Nc1cc(=O)oc2cc(O)ccc12 141602022 169143477 /nfs/dbraw/zinc/14/34/77/169143477.db2.gz AOVNRVGYOYJFKQ-UHFFFAOYSA-N 0 0 177.159 1.069 10 0 ADAERN NC(=O)CC(=O)NC1CCCCCC1 334490716 169143550 /nfs/dbraw/zinc/14/35/50/169143550.db2.gz UQYKGDXGSXIMFW-UHFFFAOYSA-N 0 0 198.266 1.751 10 0 ADAERN [NH2+]=C(NO)c1cccc2ncsc12 89195271 169143643 /nfs/dbraw/zinc/14/36/43/169143643.db2.gz CSZRLUNLMVVDIX-UHFFFAOYSA-N 0 0 193.231 1.600 10 0 ADAERN Nc1c(F)ccnc1F 299889147 169143681 /nfs/dbraw/zinc/14/36/81/169143681.db2.gz FDGVLDPYBBJGDU-VKHMYHEASA-N 0 0 130.097 1.240 10 0 ADAERN NC(=O)CC(=O)N[C@H]1CC12CCCC2 336117681 169143788 /nfs/dbraw/zinc/14/37/88/169143788.db2.gz WDYWQVDPDPLOBX-ZETCQYMHSA-N 0 0 196.250 1.361 10 0 ADAERN [NH2+]=C(NO)c1cccc2cccnc12 69050789 169143845 /nfs/dbraw/zinc/14/38/45/169143845.db2.gz OXAKTYWXPXDZEG-UHFFFAOYSA-N 0 0 187.202 1.539 10 0 ADAERN N=C=COc1ccc(F)cc1 39088430 169144111 /nfs/dbraw/zinc/14/41/11/169144111.db2.gz OUOABCPPPATPBB-UHFFFAOYSA-N 0 0 151.140 1.967 10 0 ADAERN [NH2+]=Cc1c([O-])c2ccccc2oc1=O 6557776 169144272 /nfs/dbraw/zinc/14/42/72/169144272.db2.gz LTQGJAZSKLWADU-UHFFFAOYSA-N 0 0 189.170 1.496 10 0 ADAERN Nc1cc(=O)nc(-c2ccccc2)o1 103700164 169144367 /nfs/dbraw/zinc/14/43/67/169144367.db2.gz VQBBCRAMGHWXSB-UHFFFAOYSA-N 0 0 188.186 1.527 10 0 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0 ADAERN [NH3+]CCc1cc(F)c(O)c(F)c1 32188419 169196191 /nfs/dbraw/zinc/19/61/91/169196191.db2.gz XUEXXOCTTTWZBS-UHFFFAOYSA-N 0 0 173.162 1.172 10 0 ADAERN [NH3+]CCc1cc(O)cc(Cl)c1 84443401 169196325 /nfs/dbraw/zinc/19/63/25/169196325.db2.gz SYMSRZKBNIGHBG-UHFFFAOYSA-N 0 0 171.627 1.547 10 0 ADAERN [NH3+]CCc1cc(F)cc(F)c1O 44397762 169196403 /nfs/dbraw/zinc/19/64/03/169196403.db2.gz LKEXESBSKMZVPB-UHFFFAOYSA-N 0 0 173.162 1.172 10 0 ADAERN [NH3+]CCc1cc(O)c(F)c(F)c1 44399246 169196451 /nfs/dbraw/zinc/19/64/51/169196451.db2.gz JGSTVVHSCINCDW-UHFFFAOYSA-N 0 0 173.162 1.172 10 0 ADAERN [NH3+]CCc1cc(O)c2ncsc2c1 45236343 169196458 /nfs/dbraw/zinc/19/64/58/169196458.db2.gz IAGOFFACUPHIIB-UHFFFAOYSA-N 0 0 194.259 1.503 10 0 ADAERN [NH3+]CCc1c[nH]c2cc(F)c(O)cc12 3648026 169196505 /nfs/dbraw/zinc/19/65/05/169196505.db2.gz IRQXJTNGYYCJOH-UHFFFAOYSA-N 0 0 194.209 1.514 10 0 ADAERN [NH3+]CCc1cc(F)cc(C(=O)[O-])c1 75845482 169196634 /nfs/dbraw/zinc/19/66/34/169196634.db2.gz XCBMFRDXJDZDBM-UHFFFAOYSA-N 0 0 183.182 1.025 10 0 ADAERN [NH3+]CCc1c(O)cccc1F 44397866 169196791 /nfs/dbraw/zinc/19/67/91/169196791.db2.gz QAPWRWOGTHCMPO-UHFFFAOYSA-N 0 0 155.172 1.033 10 0 ADAERN [NH3+]CC[S@@](=O)C1CCCCC1 40954950 169196822 /nfs/dbraw/zinc/19/68/22/169196822.db2.gz ZQHLUDTXNLVQFO-NSHDSACASA-N 0 0 175.297 1.027 10 0 ADAERN [NH3+]CCc1cc(F)cc(Cl)c1O 44397764 169196825 /nfs/dbraw/zinc/19/68/25/169196825.db2.gz YVFVRHWMTVNXJI-UHFFFAOYSA-N 0 0 189.617 1.686 10 0 ADAERN [NH3+]CCc1cc(C(=O)[O-])ccc1F 75845480 169196961 /nfs/dbraw/zinc/19/69/61/169196961.db2.gz VLTKCTGXDCVIAV-UHFFFAOYSA-N 0 0 183.182 1.025 10 0 ADAERN [NH3+]CCc1cc(C(=O)[O-])ccc1Cl 75845481 169196970 /nfs/dbraw/zinc/19/69/70/169196970.db2.gz SVTOCRFMWDFURI-UHFFFAOYSA-N 0 0 199.637 1.539 10 0 ADAERN [NH3+]CC[S@](=O)C1CCCCC1 40954948 169196990 /nfs/dbraw/zinc/19/69/90/169196990.db2.gz ZQHLUDTXNLVQFO-LLVKDONJSA-N 0 0 175.297 1.027 10 0 ADAERN [NH3+]CCc1c[nH]c2c(O)ccc(O)c12 2002799 169197067 /nfs/dbraw/zinc/19/70/67/169197067.db2.gz CDOZGDYHEGFFLX-UHFFFAOYSA-N 0 0 192.218 1.080 10 0 ADAERN [NH3+]CCc1cc(O)c(Cl)cc1O 27617537 169197232 /nfs/dbraw/zinc/19/72/32/169197232.db2.gz MQIBVCQBVGKYNC-UHFFFAOYSA-N 0 0 187.626 1.252 10 0 ADAERN [NH3+]CCc1ccc(/C=C/C(=O)[O-])cc1 44396488 169197605 /nfs/dbraw/zinc/19/76/05/169197605.db2.gz KIKYSOAHRNMLAD-AATRIKPKSA-N 0 0 191.230 1.286 10 0 ADAERN [NH3+]CCc1ccc(F)c(C(=O)[O-])c1 75845479 169198225 /nfs/dbraw/zinc/19/82/25/169198225.db2.gz XBFBWONRLNAXGN-UHFFFAOYSA-N 0 0 183.182 1.025 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])c1ccccc1Cl 44196493 169201240 /nfs/dbraw/zinc/20/12/40/169201240.db2.gz AOMWIMAJEGYOMI-SSDOTTSWSA-N 0 0 199.637 1.467 10 0 ADAERN [NH3+]C[C@@H](CC(=O)[O-])c1ccsc1 13823780 169201351 /nfs/dbraw/zinc/20/13/51/169201351.db2.gz FBIDJEVOFNFETB-SSDOTTSWSA-N 0 0 185.248 1.265 10 0 ADAERN [NH3+]C[C@@H](C(=O)[O-])c1cccc(Cl)c1 44196017 169202004 /nfs/dbraw/zinc/20/20/04/169202004.db2.gz VXNQOXWAVVSLBR-MRVPVSSYSA-N 0 0 199.637 1.467 10 0 ADAERN [NH3+]C[C@@H](CC(=O)[O-])Cc1cccs1 13918092 169202097 /nfs/dbraw/zinc/20/20/97/169202097.db2.gz BSTBHLRENZEVEM-SSDOTTSWSA-N 0 0 199.275 1.340 10 0 in-vivo ADAERN [NH3+]C[C@@H](CC(=O)[O-])Cc1ccsc1 13918091 169202132 /nfs/dbraw/zinc/20/21/32/169202132.db2.gz DZFWQAKTRWBNFX-MRVPVSSYSA-N 0 0 199.275 1.340 10 0 in-vivo ADAERN [NH3+]C[C@@H](CC1CCCCC1)C(=O)[O-] 44196636 169202138 /nfs/dbraw/zinc/20/21/38/169202138.db2.gz KNHXXZUAUQEJQC-SECBINFHSA-N 0 0 185.267 1.616 10 0 ADAERN [NH3+]C[C@@H](C[P@@H](=O)[O-])c1ccccc1 13742918 169202315 /nfs/dbraw/zinc/20/23/15/169202315.db2.gz UQSUKRWHUNWKRZ-VIFPVBQESA-N 0 0 199.190 1.196 10 0 ADAERN [NH3+]C[C@@H](O)c1cc(Cl)ccc1O 21949073 169204214 /nfs/dbraw/zinc/20/42/14/169204214.db2.gz UHBFQBYKMKECKP-MRVPVSSYSA-N 0 0 187.626 1.038 10 0 ADAERN [NH3+]C[C@@H](OCC1CC1)c1cccnc1 43350574 169204458 /nfs/dbraw/zinc/20/44/58/169204458.db2.gz HJOJOFAFKUYLLJ-LLVKDONJSA-N 0 0 192.262 1.508 10 0 ADAERN [NH3+]C[C@@H](O)c1cc2cccc(F)c2o1 82895374 169204537 /nfs/dbraw/zinc/20/45/37/169204537.db2.gz GAEGLXSPRCHJTD-MRVPVSSYSA-N 0 0 195.193 1.564 10 0 ADAERN [NH3+]C[C@@H](OCC1CC1)c1ccccn1 43343129 169204667 /nfs/dbraw/zinc/20/46/67/169204667.db2.gz OPUITHDFRRCUEU-LLVKDONJSA-N 0 0 192.262 1.508 10 0 ADAERN [NH3+]C[C@@H](O)c1c(F)cc(F)cc1F 76166372 169204682 /nfs/dbraw/zinc/20/46/82/169204682.db2.gz MTIUZSBTGIDYPJ-SSDOTTSWSA-N 0 0 191.152 1.096 10 0 ADAERN [NH3+]C[C@@H](O)c1cc2cc(F)ccc2o1 82895364 169204717 /nfs/dbraw/zinc/20/47/17/169204717.db2.gz KLOOPIRWSMECBS-MRVPVSSYSA-N 0 0 195.193 1.564 10 0 ADAERN [NH3+]C[C@@H](O)c1csc2ncccc12 39123439 169204822 /nfs/dbraw/zinc/20/48/22/169204822.db2.gz LOZBBMOXSOJYGH-MRVPVSSYSA-N 0 0 194.259 1.288 10 0 ADAERN [NH3+]C[C@@H](O)c1ccc(O)c(Cl)c1 13517496 169204877 /nfs/dbraw/zinc/20/48/77/169204877.db2.gz BLOGTXMZEHBMDJ-MRVPVSSYSA-N 0 0 187.626 1.038 10 0 ADAERN [NH3+]C[C@@H](O)c1ccsc1Cl 83272764 169204909 /nfs/dbraw/zinc/20/49/09/169204909.db2.gz IXXKSBXIBUUIMN-RXMQYKEDSA-N 0 0 177.656 1.394 10 0 ADAERN [NH3+]C[C@@H](O)c1ccc(F)c(F)c1F 82530374 169204917 /nfs/dbraw/zinc/20/49/17/169204917.db2.gz JITFCAVPJCGRNI-ZCFIWIBFSA-N 0 0 191.152 1.096 10 0 ADAERN [NH3+]C[C@@H](O)c1occ2ccccc12 80823675 169204967 /nfs/dbraw/zinc/20/49/67/169204967.db2.gz ALHXCAPOHCDMGX-SECBINFHSA-N 0 0 177.203 1.425 10 0 ADAERN [NH3+]C[C@@H](O)c1cc(C2CC2)cs1 82393793 169205057 /nfs/dbraw/zinc/20/50/57/169205057.db2.gz FRWVYJJOPQGBRG-MRVPVSSYSA-N 0 0 183.276 1.618 10 0 ADAERN [NH3+]C[C@@H](O)c1ccc2ccccc2n1 83094522 169205121 /nfs/dbraw/zinc/20/51/21/169205121.db2.gz RFLZEZFRSSLLST-LLVKDONJSA-N 0 0 188.230 1.227 10 0 ADAERN [NH3+]C[C@@H](O)c1c(F)ccc(F)c1F 76166374 169205175 /nfs/dbraw/zinc/20/51/75/169205175.db2.gz LKUYUJBYRHSVNL-ZCFIWIBFSA-N 0 0 191.152 1.096 10 0 ADAERN [NH3+]C[C@@H](O)c1ccc(Cl)c(O)c1 27866054 169205282 /nfs/dbraw/zinc/20/52/82/169205282.db2.gz CFAMHVXKOHMQHG-MRVPVSSYSA-N 0 0 187.626 1.038 10 0 ADAERN [NH3+]C[C@@H](O)c1cc(Cl)ccc1F 82588343 169205289 /nfs/dbraw/zinc/20/52/89/169205289.db2.gz PNRBFIKDGOOKMW-MRVPVSSYSA-N 0 0 189.617 1.471 10 0 ADAERN [NH3+]C[C@@H](O)c1nc2ccccc2s1 59429398 169205484 /nfs/dbraw/zinc/20/54/84/169205484.db2.gz XVNWHFQBCHEXOA-SSDOTTSWSA-N 0 0 194.259 1.288 10 0 ADAERN [NH3+]C[C@@H](O)c1nc2c(s1)CCCC2 76166548 169205508 /nfs/dbraw/zinc/20/55/08/169205508.db2.gz ZXAASZMCPZFGSY-SSDOTTSWSA-N 0 0 198.291 1.014 10 0 ADAERN [NH3+]C[C@@H](O)c1sccc1Cl 83272768 169205590 /nfs/dbraw/zinc/20/55/90/169205590.db2.gz PEWBDMYQIYHUAG-RXMQYKEDSA-N 0 0 177.656 1.394 10 0 ADAERN [NH3+]C[C@@H]1CCCC[C@@H]1CC(=O)[O-] 8830666 169206077 /nfs/dbraw/zinc/20/60/77/169206077.db2.gz VMTBKRPFIUIKPK-SFYZADRCSA-N 0 0 171.240 1.226 10 0 in-man ADAERN [NH3+]C[C@@H](Sc1ccccc1)C(=O)[O-] 75600006 169206383 /nfs/dbraw/zinc/20/63/83/169206383.db2.gz LHGNADNNDUQAFT-MRVPVSSYSA-N 0 0 197.259 1.191 10 0 ADAERN [NH3+]C[C@@H](c1nc(=O)o[n-]1)C1CCCC1 38523755 169206893 /nfs/dbraw/zinc/20/68/93/169206893.db2.gz ZFOBPTRNWBBDAJ-SSDOTTSWSA-N 0 0 197.238 1.008 10 0 ADAERN [NH3+]C[C@@H]1CCC[C@@H](CC(=O)[O-])C1 34156955 169207468 /nfs/dbraw/zinc/20/74/68/169207468.db2.gz MESNBSCCFMELNF-HTQZYQBOSA-N 0 0 171.240 1.226 10 0 ADAERN [NH3+]C[C@@H]1CCCC[C@H]1CC(=O)[O-] 8830664 169207747 /nfs/dbraw/zinc/20/77/47/169207747.db2.gz VMTBKRPFIUIKPK-YUMQZZPRSA-N 0 0 171.240 1.226 10 0 in-man ADAERN [NH3+]C[C@@H]1CCC[C@H](CNC(=O)[O-])C1 39129702 169207813 /nfs/dbraw/zinc/20/78/13/169207813.db2.gz ZRDRLCWQDMIXFB-SFYZADRCSA-N 0 0 186.255 1.019 10 0 ADAERN [NH3+]C[C@@H]1CCC[C@H](CC(=O)[O-])C1 34156954 169208006 /nfs/dbraw/zinc/20/80/06/169208006.db2.gz MESNBSCCFMELNF-JGVFFNPUSA-N 0 0 171.240 1.226 10 0 ADAERN [NH3+]C[C@@H]1CCC[C@@H](CNC(=O)[O-])C1 39129699 169208777 /nfs/dbraw/zinc/20/87/77/169208777.db2.gz ZRDRLCWQDMIXFB-HTQZYQBOSA-N 0 0 186.255 1.019 10 0 ADAERN [NH3+]C[C@H](CC(=O)[O-])Cc1ccsc1 26506 169211098 /nfs/dbraw/zinc/21/10/98/169211098.db2.gz DZFWQAKTRWBNFX-QMMMGPOBSA-N 0 0 199.275 1.340 10 0 in-vivo ADAERN [NH3+]C[C@H](C(=O)[O-])c1ccccc1Cl 44196497 169211328 /nfs/dbraw/zinc/21/13/28/169211328.db2.gz AOMWIMAJEGYOMI-ZETCQYMHSA-N 0 0 199.637 1.467 10 0 ADAERN [NH3+]C[C@H](CC1CCCCC1)C(=O)[O-] 44196632 169211437 /nfs/dbraw/zinc/21/14/37/169211437.db2.gz KNHXXZUAUQEJQC-VIFPVBQESA-N 0 0 185.267 1.616 10 0 ADAERN [NH3+]C[C@H](C[P@@H](=O)[O-])c1ccccc1 13742919 169211869 /nfs/dbraw/zinc/21/18/69/169211869.db2.gz UQSUKRWHUNWKRZ-SECBINFHSA-N 0 0 199.190 1.196 10 0 ADAERN [NH3+]C[C@H](CC(=O)[O-])Cc1cccs1 1549852 169212050 /nfs/dbraw/zinc/21/20/50/169212050.db2.gz BSTBHLRENZEVEM-ZETCQYMHSA-N 0 0 199.275 1.340 10 0 in-vivo ADAERN [NH3+]C[C@H](CC(=O)[O-])c1ccsc1 13823782 169212080 /nfs/dbraw/zinc/21/20/80/169212080.db2.gz FBIDJEVOFNFETB-ZETCQYMHSA-N 0 0 185.248 1.265 10 0 ADAERN [NH3+]C[C@H](Sc1ccccc1)C(=O)[O-] 75600005 169213876 /nfs/dbraw/zinc/21/38/76/169213876.db2.gz LHGNADNNDUQAFT-QMMMGPOBSA-N 0 0 197.259 1.191 10 0 ADAERN [NH3+]C[C@H]1CCCC[C@@H]1CC(=O)[O-] 8830665 169214557 /nfs/dbraw/zinc/21/45/57/169214557.db2.gz VMTBKRPFIUIKPK-HTQZYQBOSA-N 0 0 171.240 1.226 10 0 in-man ADAERN [NH3+]C[C@H]1CCCC[C@H]1CC(=O)[O-] 8830663 169214829 /nfs/dbraw/zinc/21/48/29/169214829.db2.gz VMTBKRPFIUIKPK-JGVFFNPUSA-N 0 0 171.240 1.226 10 0 in-man ADAERN [NH3+]C[C@H](c1nc(=O)o[n-]1)C1CCCC1 38523756 169214972 /nfs/dbraw/zinc/21/49/72/169214972.db2.gz ZFOBPTRNWBBDAJ-ZETCQYMHSA-N 0 0 197.238 1.008 10 0 ADAERN [NH3+]C[C@H]1CCC[C@@H](CNC(=O)[O-])C1 39126126 169216187 /nfs/dbraw/zinc/21/61/87/169216187.db2.gz ZRDRLCWQDMIXFB-JGVFFNPUSA-N 0 0 186.255 1.019 10 0 ADAERN [NH3+]C[C@H]1CCC[C@H](CC(=O)[O-])C1 34156956 169216355 /nfs/dbraw/zinc/21/63/55/169216355.db2.gz MESNBSCCFMELNF-YUMQZZPRSA-N 0 0 171.240 1.226 10 0 ADAERN [NH3+]C[C@H]1CCC[C@H](CNC(=O)[O-])C1 39129700 169216502 /nfs/dbraw/zinc/21/65/02/169216502.db2.gz ZRDRLCWQDMIXFB-YUMQZZPRSA-N 0 0 186.255 1.019 10 0 ADAERN [NH3+]Cc1cc(Cl)c([O-])cc1F 82868787 169218338 /nfs/dbraw/zinc/21/83/38/169218338.db2.gz JFAFIPOQTMZKCJ-UHFFFAOYSA-N 0 0 175.590 1.643 10 0 ADAERN [NH3+]Cc1c(F)cccc1[S-] 39088707 169219426 /nfs/dbraw/zinc/21/94/26/169219426.db2.gz HTDICBQZCYADDO-UHFFFAOYSA-N 0 0 157.213 1.573 10 0 ADAERN [NH3+]Cc1cc(C(=O)[O-])cc2[nH]ccc12 82888043 169219537 /nfs/dbraw/zinc/21/95/37/169219537.db2.gz CRDOSNWIJGWQBT-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN [NH3+]Cc1cc2ccc(C(=O)[O-])cc2o1 82888980 169220185 /nfs/dbraw/zinc/22/01/85/169220185.db2.gz DEUYNEOIMDANRN-UHFFFAOYSA-N 0 0 191.186 1.590 10 0 ADAERN [NH3+]Cc1cc(Cl)cc(C(=O)[O-])c1 35322907 169220188 /nfs/dbraw/zinc/22/01/88/169220188.db2.gz ITOAUMNHRWPAQN-UHFFFAOYSA-N 0 0 185.610 1.497 10 0 ADAERN [NH3+]Cc1cc2c(C(=O)[O-])cccc2[nH]1 82888045 169220540 /nfs/dbraw/zinc/22/05/40/169220540.db2.gz NYDVRWJBOJRBHX-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN [NH3+]Cc1cc2cc(C(=O)[O-])ccc2o1 82888982 169221206 /nfs/dbraw/zinc/22/12/06/169221206.db2.gz HVIMFPDVPTYNHA-UHFFFAOYSA-N 0 0 191.186 1.590 10 0 ADAERN [NH3+]Cc1cc2sc(C(=O)[O-])cc2[nH]1 82908911 169222189 /nfs/dbraw/zinc/22/21/89/169222189.db2.gz PBVYWRKKXMQMJF-UHFFFAOYSA-N 0 0 196.231 1.386 10 0 ADAERN [NH3+]Cc1ccc(F)c([O-])c1F 13556339 169222236 /nfs/dbraw/zinc/22/22/36/169222236.db2.gz ARLSXSJLCYMMDM-UHFFFAOYSA-N 0 0 159.135 1.129 10 0 ADAERN [NH3+]Cc1ccc(C2N=CC([O-])=N2)cc1 105866465 169222357 /nfs/dbraw/zinc/22/23/57/169222357.db2.gz PYYVRGJSAXTHQE-UHFFFAOYSA-N 0 0 189.218 1.241 10 0 ADAERN [NH3+]Cc1ccc(F)cc1[S-] 39088712 169223088 /nfs/dbraw/zinc/22/30/88/169223088.db2.gz NPCODDYTBZZKTE-UHFFFAOYSA-N 0 0 157.213 1.573 10 0 ADAERN [NH3+]Cc1ccc([O-])c2occc12 82850624 169223303 /nfs/dbraw/zinc/22/33/03/169223303.db2.gz WGDYDGSINNUCNJ-UHFFFAOYSA-N 0 0 163.176 1.597 10 0 ADAERN [NH3+]Cc1ccc([S-])c(F)c1 82632202 169223377 /nfs/dbraw/zinc/22/33/77/169223377.db2.gz FAGSRSSHPQETLT-UHFFFAOYSA-N 0 0 157.213 1.573 10 0 ADAERN [NH3+]Cc1ccc2[nH]c(C(=O)[O-])cc2c1 82882625 169223720 /nfs/dbraw/zinc/22/37/20/169223720.db2.gz DKYIKLPWHZJQRA-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN [NH3+]Cc1cccc([S-])c1 83119778 169224276 /nfs/dbraw/zinc/22/42/76/169224276.db2.gz MQRMWSYMUKSODL-UHFFFAOYSA-N 0 0 139.223 1.434 10 0 ADAERN [NH3+]Cc1cccc(F)c1[S-] 39088705 169224382 /nfs/dbraw/zinc/22/43/82/169224382.db2.gz LVXOIBIZYFAAPT-UHFFFAOYSA-N 0 0 157.213 1.573 10 0 ADAERN [NH3+]Cc1cccc2[nH]c(C(=O)[O-])cc12 82882627 169224619 /nfs/dbraw/zinc/22/46/19/169224619.db2.gz IBSXHBSTMZHXSO-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN [NH3+]Cc1cccc2cc(C(=O)[O-])[nH]c12 82882630 169224707 /nfs/dbraw/zinc/22/47/07/169224707.db2.gz ONGFIAHVFANTGQ-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN [NH3+]Cc1ccccc1[S-] 39194163 169224819 /nfs/dbraw/zinc/22/48/19/169224819.db2.gz KWYDGSCNANPBRG-UHFFFAOYSA-N 0 0 139.223 1.434 10 0 ADAERN [NH3+]Cc1ccccc1/C=C/C(=O)[O-] 6926898 169224840 /nfs/dbraw/zinc/22/48/40/169224840.db2.gz DWVWKIQQBRHWOW-AATRIKPKSA-N 0 0 177.203 1.243 10 0 ADAERN NCc1nc(-c2ccc(F)cc2)co1 71506050 169228272 /nfs/dbraw/zinc/22/82/72/169228272.db2.gz MVWIWLABLYIHDW-UHFFFAOYSA-N 0 0 192.193 1.939 10 0 ADAERN NCc1nc(-c2cccs2)co1 71498171 169228276 /nfs/dbraw/zinc/22/82/76/169228276.db2.gz MMHDEFDAYYBWGZ-UHFFFAOYSA-N 0 0 180.232 1.862 10 0 ADAERN NCc1nc(/C=C\c2ccco2)no1 73640812 169228682 /nfs/dbraw/zinc/22/86/82/169228682.db2.gz MIPMXROBZVYWBV-ARJAWSKDSA-N 0 0 191.190 1.292 10 0 ADAERN NCc1nc(-c2ccccc2)co1 71496786 169228746 /nfs/dbraw/zinc/22/87/46/169228746.db2.gz IINWRUPPTUJZQY-UHFFFAOYSA-N 0 0 174.203 1.800 10 0 ADAERN NCc1nc2cc3c(cc2o1)OCO3 74270946 169228757 /nfs/dbraw/zinc/22/87/57/169228757.db2.gz NUZZVWPLTUVLRA-UHFFFAOYSA-N 0 0 192.174 1.015 10 0 ADAERN NCc1nc(-c2cc[nH]c2)co1 71495702 169229006 /nfs/dbraw/zinc/22/90/06/169229006.db2.gz IUBVTTKVURRLCH-UHFFFAOYSA-N 0 0 163.180 1.128 10 0 ADAERN NCc1nc(CCC2CCCC2)no1 73640802 169229205 /nfs/dbraw/zinc/22/92/05/169229205.db2.gz WUSQOBPXAOEZJN-UHFFFAOYSA-N 0 0 195.266 1.651 10 0 ADAERN NCc1nc2cc(F)c(F)cc2o1 62520347 169229281 /nfs/dbraw/zinc/22/92/81/169229281.db2.gz DPTBXHIJMARJBY-UHFFFAOYSA-N 0 0 184.145 1.565 10 0 ADAERN NCc1nc2cc(F)cc(F)c2o1 62520339 169229525 /nfs/dbraw/zinc/22/95/25/169229525.db2.gz LALXERJVHCCQHD-UHFFFAOYSA-N 0 0 184.145 1.565 10 0 ADAERN NCc1nc(Oc2ccccc2)no1 83277762 169229545 /nfs/dbraw/zinc/22/95/45/169229545.db2.gz LBAUBUWZGZJKTR-UHFFFAOYSA-N 0 0 191.190 1.321 10 0 ADAERN NCc1nc(Cc2ccsc2)no1 73640905 169229838 /nfs/dbraw/zinc/22/98/38/169229838.db2.gz KAABCWYHIPCNNQ-UHFFFAOYSA-N 0 0 195.247 1.181 10 0 ADAERN NCc1ncn(C2CCCCC2)n1 61842959 169230264 /nfs/dbraw/zinc/23/02/64/169230264.db2.gz HZTHVHVVMZBFGE-UHFFFAOYSA-N 0 0 180.255 1.242 10 0 ADAERN NCc1ncc(-c2cccnc2)o1 75429810 169230337 /nfs/dbraw/zinc/23/03/37/169230337.db2.gz LOGNGDHWOBKLHP-UHFFFAOYSA-N 0 0 175.191 1.195 10 0 ADAERN NCc1ncc(-c2ccccn2)o1 75429814 169230539 /nfs/dbraw/zinc/23/05/39/169230539.db2.gz PSQMEKVJVWLRJP-UHFFFAOYSA-N 0 0 175.191 1.195 10 0 ADAERN NCc1nnc(-c2ccco2)s1 58519841 169230541 /nfs/dbraw/zinc/23/05/41/169230541.db2.gz MRNOCOGRBRGANP-UHFFFAOYSA-N 0 0 181.220 1.257 10 0 ADAERN NCc1nnc(-c2ccc(F)cc2)o1 11585619 169230563 /nfs/dbraw/zinc/23/05/63/169230563.db2.gz UKMYENMITRKTJD-UHFFFAOYSA-N 0 0 193.181 1.334 10 0 ADAERN NCc1nnc(-c2ccccc2F)o1 11585613 169230611 /nfs/dbraw/zinc/23/06/11/169230611.db2.gz WSIKPRIXZPYOPA-UHFFFAOYSA-N 0 0 193.181 1.334 10 0 ADAERN NCc1ncc(-c2ccc(F)cc2)o1 11586991 169230616 /nfs/dbraw/zinc/23/06/16/169230616.db2.gz RDDXGILPEWBXEP-UHFFFAOYSA-N 0 0 192.193 1.939 10 0 ADAERN NCc1nnc(-c2cscn2)s1 83282742 169230829 /nfs/dbraw/zinc/23/08/29/169230829.db2.gz WTTCBOUHZJEYHJ-UHFFFAOYSA-N 0 0 198.276 1.120 10 0 ADAERN NCc1ncc(-c2cc[nH]c2)o1 71495703 169230931 /nfs/dbraw/zinc/23/09/31/169230931.db2.gz JMENHOSTGKABJA-UHFFFAOYSA-N 0 0 163.180 1.128 10 0 ADAERN NCc1nnc(-c2ccsc2)o1 50273197 169231009 /nfs/dbraw/zinc/23/10/09/169231009.db2.gz BYKCPQXJHQDRQN-UHFFFAOYSA-N 0 0 181.220 1.257 10 0 ADAERN NCc1ncc(-c2ccncc2)o1 75429811 169231065 /nfs/dbraw/zinc/23/10/65/169231065.db2.gz CTLJTZVWICPZFH-UHFFFAOYSA-N 0 0 175.191 1.195 10 0 ADAERN NCc1nnc(C(F)(F)F)s1 83275188 169231280 /nfs/dbraw/zinc/23/12/80/169231280.db2.gz KWYLYFGZJUXFNL-UHFFFAOYSA-N 0 0 183.158 1.016 10 0 ADAERN NCc1nnc(-c2ccncc2)s1 57488549 169231326 /nfs/dbraw/zinc/23/13/26/169231326.db2.gz ACALCBRNTNAACI-UHFFFAOYSA-N 0 0 192.247 1.059 10 0 ADAERN NCc1nnc(-c2cccnc2)s1 57488548 169231532 /nfs/dbraw/zinc/23/15/32/169231532.db2.gz YMUGFNZZJAKBHS-UHFFFAOYSA-N 0 0 192.247 1.059 10 0 ADAERN NCc1nnc(-c2cccc(F)c2)o1 11585617 169231588 /nfs/dbraw/zinc/23/15/88/169231588.db2.gz RQGRKULZUXKNPP-UHFFFAOYSA-N 0 0 193.181 1.334 10 0 ADAERN NCc1nnc(-c2cccs2)s1 57490269 169231791 /nfs/dbraw/zinc/23/17/91/169231791.db2.gz XCCXWYUJZAPWCA-UHFFFAOYSA-N 0 0 197.288 1.725 10 0 ADAERN NCc1nnc(/C=C/c2ccco2)o1 83341611 169231877 /nfs/dbraw/zinc/23/18/77/169231877.db2.gz JRKOAIJEWUCWQT-ONEGZZNKSA-N 0 0 191.190 1.292 10 0 ADAERN NCc1nnc(C2CCCC2)o1 50283528 169232076 /nfs/dbraw/zinc/23/20/76/169232076.db2.gz CTFMDITZNDIRSZ-UHFFFAOYSA-N 0 0 167.212 1.186 10 0 ADAERN NCc1nnc(CC2=CCCCC2)o1 83341973 169232208 /nfs/dbraw/zinc/23/22/08/169232208.db2.gz ITZNOPRIJDJHIG-UHFFFAOYSA-N 0 0 193.250 1.571 10 0 ADAERN NCc1nnc([C@H]2C[C@@H]3C=C[C@H]2C3)o1 83341655 169232238 /nfs/dbraw/zinc/23/22/38/169232238.db2.gz STLWOPDOJLIZHJ-CSMHCCOUSA-N 0 0 191.234 1.208 10 0 ADAERN NCc1nnc(CC2CCCCC2)o1 50283490 169232345 /nfs/dbraw/zinc/23/23/45/169232345.db2.gz RXBKHQRBFVGRPZ-UHFFFAOYSA-N 0 0 195.266 1.651 10 0 ADAERN NCc1noc([C@H]2C[C@H]3CC[C@@H]2C3)n1 42175804 169232353 /nfs/dbraw/zinc/23/23/53/169232353.db2.gz XAMZTXFYQCZMSU-RNJXMRFFSA-N 0 0 193.250 1.432 10 0 ADAERN NCc1nnc([C@H]2C[C@H]3CC[C@@H]2C3)o1 50283512 169232421 /nfs/dbraw/zinc/23/24/21/169232421.db2.gz RSIBCBPNJVBXHT-RNJXMRFFSA-N 0 0 193.250 1.432 10 0 ADAERN NCc1nnc([C@@H]2C[C@@H]3C=C[C@H]2C3)o1 83341656 169232923 /nfs/dbraw/zinc/23/29/23/169232923.db2.gz STLWOPDOJLIZHJ-GJMOJQLCSA-N 0 0 191.234 1.208 10 0 ADAERN NCc1nnc([C@@H]2CC=CCC2)o1 83340397 169232939 /nfs/dbraw/zinc/23/29/39/169232939.db2.gz WRCCEQRDJXWMIE-SSDOTTSWSA-N 0 0 179.223 1.352 10 0 ADAERN NCc1nnc(CCC2CCCC2)o1 50283470 169232947 /nfs/dbraw/zinc/23/29/47/169232947.db2.gz IQHPBBOCSHJFRZ-UHFFFAOYSA-N 0 0 195.266 1.651 10 0 ADAERN NCc1nnc(C2CCCC2)s1 83275763 169233015 /nfs/dbraw/zinc/23/30/15/169233015.db2.gz RORWPRKRRDSGST-UHFFFAOYSA-N 0 0 183.280 1.654 10 0 ADAERN NCc1nnc(C2CCCCC2)o1 11585592 169233057 /nfs/dbraw/zinc/23/30/57/169233057.db2.gz LOSXGJLUIGCOPU-UHFFFAOYSA-N 0 0 181.239 1.576 10 0 ADAERN NCc1nnc(Cc2ccsc2)o1 50283495 169233111 /nfs/dbraw/zinc/23/31/11/169233111.db2.gz OBQMLJQUABAPBH-UHFFFAOYSA-N 0 0 195.247 1.181 10 0 ADAERN NCc1nnc([C@H]2CC=CCC2)o1 83340398 169233218 /nfs/dbraw/zinc/23/32/18/169233218.db2.gz WRCCEQRDJXWMIE-ZETCQYMHSA-N 0 0 179.223 1.352 10 0 ADAERN NCc1nnc(C2CCCCCC2)o1 53716352 169233361 /nfs/dbraw/zinc/23/33/61/169233361.db2.gz VGHUCODWYRRMFU-UHFFFAOYSA-N 0 0 195.266 1.966 10 0 ADAERN NCc1nnc(Cc2cccs2)o1 50283479 169233383 /nfs/dbraw/zinc/23/33/83/169233383.db2.gz DAWDXXGHLGWENL-UHFFFAOYSA-N 0 0 195.247 1.181 10 0 ADAERN NN1CCC(c2cccc(F)c2)CC1 77295413 169233442 /nfs/dbraw/zinc/23/34/42/169233442.db2.gz WUVLWEHUGDNGBJ-UHFFFAOYSA-N 0 0 194.253 1.879 10 0 ADAERN NN1CC[C@@H](C2CCCCC2)C1 77263077 169233513 /nfs/dbraw/zinc/23/35/13/169233513.db2.gz DALQPACYMOFZRW-SNVBAGLBSA-N 0 0 168.284 1.762 10 0 ADAERN NN1CCO[C@@H](c2ccc(F)cc2)C1 71507295 169233526 /nfs/dbraw/zinc/23/35/26/169233526.db2.gz TUVBJXULEQQJJE-SNVBAGLBSA-N 0 0 196.225 1.073 10 0 ADAERN NN1CCCC[C@@H]1c1cccnc1 19171605 169233531 /nfs/dbraw/zinc/23/35/31/169233531.db2.gz RBKLKVOOTGOALW-SNVBAGLBSA-N 0 0 177.251 1.482 10 0 ADAERN NN1CCC[C@H]1CCc1ccccc1 77275526 169233533 /nfs/dbraw/zinc/23/35/33/169233533.db2.gz SAZFDGCTPHZZEU-LBPRGKRZSA-N 0 0 190.290 1.957 10 0 ADAERN NN1CCC[C@H]1c1cccc(F)c1 77268302 169233538 /nfs/dbraw/zinc/23/35/38/169233538.db2.gz MRMOHIZZZZFOOG-JTQLQIEISA-N 0 0 180.226 1.836 10 0 ADAERN NN1CCC[C@@H](c2cccs2)C1 77270116 169233548 /nfs/dbraw/zinc/23/35/48/169233548.db2.gz JPZRGBWJLUMFOQ-MRVPVSSYSA-N 0 0 182.292 1.801 10 0 ADAERN NN1CCC[C@H]1c1ccc(F)c(F)c1 77296318 169233584 /nfs/dbraw/zinc/23/35/84/169233584.db2.gz UMOODMSGUXTQLT-JTQLQIEISA-N 0 0 198.216 1.975 10 0 ADAERN NN1CCC[C@H]1c1cc[nH]c1 77260632 169233587 /nfs/dbraw/zinc/23/35/87/169233587.db2.gz RJDCJXBKEKQVSS-QMMMGPOBSA-N 0 0 151.213 1.025 10 0 ADAERN NN1CC[C@@H](c2cccc(F)c2)C1 77268342 169233599 /nfs/dbraw/zinc/23/35/99/169233599.db2.gz VDLYZWNWGOAFBC-SECBINFHSA-N 0 0 180.226 1.489 10 0 ADAERN NN1CCC[C@H](c2ccco2)C1 77261950 169233602 /nfs/dbraw/zinc/23/36/02/169233602.db2.gz UTXUSAMHEZKJBL-QMMMGPOBSA-N 0 0 166.224 1.333 10 0 ADAERN NN1CCC[C@@H]1CCc1ccccc1 77275530 169233617 /nfs/dbraw/zinc/23/36/17/169233617.db2.gz SAZFDGCTPHZZEU-GFCCVEGCSA-N 0 0 190.290 1.957 10 0 ADAERN NN1CCC[C@H]1C1CCCC1 77260838 169233621 /nfs/dbraw/zinc/23/36/21/169233621.db2.gz SMHNRKRTBXAFET-VIFPVBQESA-N 0 0 154.257 1.515 10 0 ADAERN NN1CCC[C@@H]1C1CCCCC1 77263072 169233626 /nfs/dbraw/zinc/23/36/26/169233626.db2.gz RNCXBJGHWTXVBZ-SNVBAGLBSA-N 0 0 168.284 1.905 10 0 ADAERN NN1CCC[C@@H]1Cc1ccc(F)cc1 77295396 169233629 /nfs/dbraw/zinc/23/36/29/169233629.db2.gz OJZQYRMZVAPZCU-LLVKDONJSA-N 0 0 194.253 1.706 10 0 ADAERN NN1CCC[C@H]1COc1ccccc1 77276990 169233642 /nfs/dbraw/zinc/23/36/42/169233642.db2.gz PUUKZMLOMDWXOM-JTQLQIEISA-N 0 0 192.262 1.404 10 0 ADAERN NN1CCCC[C@@H]1c1ccc[nH]1 77261769 169233656 /nfs/dbraw/zinc/23/36/56/169233656.db2.gz BQDIGUMHMQWNMC-SECBINFHSA-N 0 0 165.240 1.415 10 0 ADAERN NN1CCC[C@H](c2ccncc2)C1 77266781 169233676 /nfs/dbraw/zinc/23/36/76/169233676.db2.gz VGSZWQBTXHOLCD-JTQLQIEISA-N 0 0 177.251 1.135 10 0 ADAERN NN1CCCC[C@@H]1c1cc[nH]c1 77261778 169233700 /nfs/dbraw/zinc/23/37/00/169233700.db2.gz HECCJKHOXCIALK-SECBINFHSA-N 0 0 165.240 1.415 10 0 ADAERN NN1CCC[C@@H](c2ccccc2)C1 77266346 169233704 /nfs/dbraw/zinc/23/37/04/169233704.db2.gz YTVPXEXOBVNUDY-LLVKDONJSA-N 0 0 176.263 1.740 10 0 ADAERN NN1CCC[C@@H]1c1cccnc1 77261454 169233707 /nfs/dbraw/zinc/23/37/07/169233707.db2.gz XMLJVWUSIAIJJZ-SECBINFHSA-N 0 0 163.224 1.092 10 0 ADAERN NN1CCC[C@H](c2ccccn2)C1 77266761 169233710 /nfs/dbraw/zinc/23/37/10/169233710.db2.gz VRTAXHKGGAMUKU-VIFPVBQESA-N 0 0 177.251 1.135 10 0 ADAERN NN1CCC[C@H]1c1ccccc1F 77268293 169233719 /nfs/dbraw/zinc/23/37/19/169233719.db2.gz ZWHKLIKFCVRXDE-JTQLQIEISA-N 0 0 180.226 1.836 10 0 ADAERN NN1CCC[C@@H]1CCc1ccco1 77268412 169233720 /nfs/dbraw/zinc/23/37/20/169233720.db2.gz LXQNAMRFDICUHB-SECBINFHSA-N 0 0 180.251 1.550 10 0 ADAERN NN1CCC[C@H]1C1CCCCC1 77263069 169233723 /nfs/dbraw/zinc/23/37/23/169233723.db2.gz RNCXBJGHWTXVBZ-JTQLQIEISA-N 0 0 168.284 1.905 10 0 ADAERN NN1CCC[C@H]1c1ccco1 77260653 169233737 /nfs/dbraw/zinc/23/37/37/169233737.db2.gz ZJKDVVPYFQLHOM-ZETCQYMHSA-N 0 0 152.197 1.290 10 0 ADAERN NN1CCCC[C@H]1c1cccnc1 19171602 169233761 /nfs/dbraw/zinc/23/37/61/169233761.db2.gz RBKLKVOOTGOALW-JTQLQIEISA-N 0 0 177.251 1.482 10 0 ADAERN NN1CCC[C@@H](c2ccccn2)C1 77266757 169233784 /nfs/dbraw/zinc/23/37/84/169233784.db2.gz VRTAXHKGGAMUKU-SECBINFHSA-N 0 0 177.251 1.135 10 0 ADAERN NN1CCC(c2ccccc2F)CC1 77295410 169233798 /nfs/dbraw/zinc/23/37/98/169233798.db2.gz CLVUDHGJCYWCMR-UHFFFAOYSA-N 0 0 194.253 1.879 10 0 ADAERN NN1CCC[C@@H]1c1ccc(F)cc1F 77296323 169233815 /nfs/dbraw/zinc/23/38/15/169233815.db2.gz ZTBGIBQOZYMSFP-SNVBAGLBSA-N 0 0 198.216 1.975 10 0 ADAERN NN1CC[C@H](c2cccs2)C1 77263064 169233827 /nfs/dbraw/zinc/23/38/27/169233827.db2.gz DNCBGEQQZUITIM-ZETCQYMHSA-N 0 0 168.265 1.411 10 0 ADAERN NN1CCCC[C@H]1c1ccc[nH]1 77261765 169233832 /nfs/dbraw/zinc/23/38/32/169233832.db2.gz BQDIGUMHMQWNMC-VIFPVBQESA-N 0 0 165.240 1.415 10 0 ADAERN NN1CCC[C@H]1c1ccc(F)cc1 77268317 169233834 /nfs/dbraw/zinc/23/38/34/169233834.db2.gz PFZMYFVPKHTVAW-JTQLQIEISA-N 0 0 180.226 1.836 10 0 ADAERN NN1CCO[C@H](c2ccccc2F)C1 71507292 169233838 /nfs/dbraw/zinc/23/38/38/169233838.db2.gz FBRBCPVWFYOHGG-JTQLQIEISA-N 0 0 196.225 1.073 10 0 ADAERN NN1CCC[C@H](c2cccs2)C1 77270121 169233894 /nfs/dbraw/zinc/23/38/94/169233894.db2.gz JPZRGBWJLUMFOQ-QMMMGPOBSA-N 0 0 182.292 1.801 10 0 ADAERN 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1.362 10 0 ADAERN NN[C@H]1CCCOc2ccccc21 62566828 169237565 /nfs/dbraw/zinc/23/75/65/169237565.db2.gz WWGWRIFTMIDFEN-VIFPVBQESA-N 0 0 178.235 1.364 10 0 ADAERN NNc1ccc(-c2ncc[nH]2)cc1 39132977 169237588 /nfs/dbraw/zinc/23/75/88/169237588.db2.gz AWKGDPSWXFOJBI-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN NNc1cc(Oc2ccco2)n[nH]1 39090014 169237595 /nfs/dbraw/zinc/23/75/95/169237595.db2.gz ZRDXVNHMDIQIBL-UHFFFAOYSA-N 0 0 180.167 1.081 10 0 ADAERN NNc1cc2[nH]c(=O)sc2cc1F 34362813 169237610 /nfs/dbraw/zinc/23/76/10/169237610.db2.gz KTLYINFOABVWON-UHFFFAOYSA-N 0 0 199.210 1.014 10 0 ADAERN NNc1ccc(-n2ccnc2)cc1 39116549 169237636 /nfs/dbraw/zinc/23/76/36/169237636.db2.gz PXRDZRWNKJLXCG-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN NN[C@@H]1CCCOc2ccccc21 62566826 169237641 /nfs/dbraw/zinc/23/76/41/169237641.db2.gz WWGWRIFTMIDFEN-SECBINFHSA-N 0 0 178.235 1.364 10 0 ADAERN NN[C@H]1CCCOc2cc(F)ccc21 62567866 169237661 /nfs/dbraw/zinc/23/76/61/169237661.db2.gz KDIHQFHHDRUKEY-VIFPVBQESA-N 0 0 196.225 1.503 10 0 ADAERN NNc1cc2cccccc-2n1 104548220 169237664 /nfs/dbraw/zinc/23/76/64/169237664.db2.gz ARPVNKJCMVRJKJ-UHFFFAOYSA-N 0 0 159.192 1.472 10 0 ADAERN NNc1cc2ccccc2cc1NN 34069033 169237669 /nfs/dbraw/zinc/23/76/69/169237669.db2.gz YIAJTHPUOIWKMT-UHFFFAOYSA-N 0 0 188.234 1.411 10 0 ADAERN NNc1ccc(Cn2ccnc2)cc1 34179970 169237688 /nfs/dbraw/zinc/23/76/88/169237688.db2.gz DHPBTACOBWAXJZ-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN NNc1c(F)cc(F)c(F)c1F 39348272 169237693 /nfs/dbraw/zinc/23/76/93/169237693.db2.gz JZXKQHRPXKKDDM-UHFFFAOYSA-N 0 0 180.104 1.529 10 0 ADAERN NNc1cc2ccccc2[nH]1 34240046 169237698 /nfs/dbraw/zinc/23/76/98/169237698.db2.gz BYMZRMOOJUPLTH-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN NNc1ccc(Cc2cccnc2)cc1 34421288 169237786 /nfs/dbraw/zinc/23/77/86/169237786.db2.gz LKJKRFXODZEFFU-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN NNc1cc(O)c(Cl)cc1Cl 6091095 169237809 /nfs/dbraw/zinc/23/78/09/169237809.db2.gz CENOYDOYVKFBTA-UHFFFAOYSA-N 0 0 193.033 1.985 10 0 ADAERN NNc1ccc(-c2ncco2)cc1 90613159 169237823 /nfs/dbraw/zinc/23/78/23/169237823.db2.gz AQOYJOWSGFSLPQ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN NNc1ccc(NC2CCCC2)nc1 36221243 169237958 /nfs/dbraw/zinc/23/79/58/169237958.db2.gz NHRPKYKQDZNJSL-UHFFFAOYSA-N 0 0 192.266 1.722 10 0 ADAERN NN[C@@H]1CCCOc2cc(F)ccc21 62567868 169237983 /nfs/dbraw/zinc/23/79/83/169237983.db2.gz KDIHQFHHDRUKEY-SECBINFHSA-N 0 0 196.225 1.503 10 0 ADAERN NNc1ccc(-c2ncccn2)cc1 39121275 169237989 /nfs/dbraw/zinc/23/79/89/169237989.db2.gz QUCRJLXDQQFKNR-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN NNc1cc(F)c(F)c(F)c1F 21304442 169238000 /nfs/dbraw/zinc/23/80/00/169238000.db2.gz AYXDCKLCDUIBGZ-UHFFFAOYSA-N 0 0 180.104 1.529 10 0 ADAERN NNc1cc(-c2ccccc2)[nH]n1 39370436 169238010 /nfs/dbraw/zinc/23/80/10/169238010.db2.gz ZRKTWOHXSNZDPR-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN NN[C@@H]1CCCC[C@@H]1c1cccnc1 62567612 169238036 /nfs/dbraw/zinc/23/80/36/169238036.db2.gz IEIKJFJTWWRLLL-GHMZBOCLSA-N 0 0 191.278 1.571 10 0 ADAERN NNc1cc(O)c(Cl)cc1F 6091102 169238037 /nfs/dbraw/zinc/23/80/37/169238037.db2.gz ANQYXSGAZZIKEO-UHFFFAOYSA-N 0 0 176.578 1.470 10 0 ADAERN NN[C@@H]1CCCOc2ccc(F)cc21 62567864 169238106 /nfs/dbraw/zinc/23/81/06/169238106.db2.gz GWPFYSJYAWRYCT-SECBINFHSA-N 0 0 196.225 1.503 10 0 ADAERN NNc1cc2c(s1)CCCC2 36224436 169238115 /nfs/dbraw/zinc/23/81/15/169238115.db2.gz QMPIQZIMWQOADR-UHFFFAOYSA-N 0 0 168.265 1.913 10 0 ADAERN NNc1cnc2cc(Cl)ccc2n1 75597283 169238249 /nfs/dbraw/zinc/23/82/49/169238249.db2.gz LPZLEECQQADSHY-UHFFFAOYSA-N 0 0 194.625 1.569 10 0 ADAERN NN=c1nc(-c2ccsc2)cc[nH]1 72417402 169238306 /nfs/dbraw/zinc/23/83/06/169238306.db2.gz NMFAOYABRVQXEB-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN NN=c1[nH]c2ccc(F)c(F)c2o1 75883646 169238322 /nfs/dbraw/zinc/23/83/22/169238322.db2.gz NFRJGLUZQISGGN-UHFFFAOYSA-N 0 0 185.133 1.392 10 0 ADAERN NN=c1[nH]c(-c2cc[nH]c2)cs1 71498176 169238381 /nfs/dbraw/zinc/23/83/81/169238381.db2.gz NQPRFVKPKWSHOL-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN NN=c1[nH]c2cccc3c2n1CCC3 11735007 169238402 /nfs/dbraw/zinc/23/84/02/169238402.db2.gz SODJHSONIQDRRG-UHFFFAOYSA-N 0 0 188.234 1.268 10 0 ADAERN NNc1nc(-c2ccc(O)cc2)c[nH]1 96675265 169238484 /nfs/dbraw/zinc/23/84/84/169238484.db2.gz CDJYQLFGLORUMA-UHFFFAOYSA-N 0 0 190.206 1.068 10 0 ADAERN NN=c1[nH]c2cc(F)cc(F)c2o1 62520378 169238509 /nfs/dbraw/zinc/23/85/09/169238509.db2.gz QJEMGDXSXJMYOL-UHFFFAOYSA-N 0 0 185.133 1.392 10 0 ADAERN NNc1ccccc1C1CC1 17937407 169238514 /nfs/dbraw/zinc/23/85/14/169238514.db2.gz XVGHDSWRWBFBAX-UHFFFAOYSA-N 0 0 148.209 1.850 10 0 ADAERN NN=c1[nH]c2ccc(F)c(F)c2[nH]1 75948856 169238521 /nfs/dbraw/zinc/23/85/21/169238521.db2.gz MLRKCOONGAXHDR-UHFFFAOYSA-N 0 0 184.149 1.127 10 0 ADAERN NN=c1[nH]c2ccccc2n1C1CC1 75948966 169238522 /nfs/dbraw/zinc/23/85/22/169238522.db2.gz DKUOJIWCFKCETA-UHFFFAOYSA-N 0 0 188.234 1.657 10 0 ADAERN NN=c1[nH]c2cc(F)c(F)cc2o1 62520383 169238618 /nfs/dbraw/zinc/23/86/18/169238618.db2.gz MLNZKFGXLVFTTE-UHFFFAOYSA-N 0 0 185.133 1.392 10 0 ADAERN NN=c1[nH]c2ccc(F)cc2o1 75883644 169238694 /nfs/dbraw/zinc/23/86/94/169238694.db2.gz FTTPVMRLXRSHFO-UHFFFAOYSA-N 0 0 167.143 1.253 10 0 ADAERN NNc1ccc2cc(NN)ccc2c1 75578710 169238754 /nfs/dbraw/zinc/23/87/54/169238754.db2.gz CNBBLWIYVKJDBY-UHFFFAOYSA-N 0 0 188.234 1.411 10 0 ADAERN NN=c1[nH]c2c(s1)CSCC2 43560057 169238767 /nfs/dbraw/zinc/23/87/67/169238767.db2.gz VJDDKYCKHUWXAT-UHFFFAOYSA-N 0 0 187.293 1.218 10 0 ADAERN NNc1cccc2c1CCC2 38804429 169238819 /nfs/dbraw/zinc/23/88/19/169238819.db2.gz VINLUGYZXQSLCH-UHFFFAOYSA-N 0 0 148.209 1.461 10 0 ADAERN NNc1cccc2sc(N)nc12 5161748 169238820 /nfs/dbraw/zinc/23/88/20/169238820.db2.gz VRMKCGYEAQPCHY-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN NNc1ccnc2c(F)ccc(F)c12 36075565 169238834 /nfs/dbraw/zinc/23/88/34/169238834.db2.gz WEWILKCJABSUIL-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN NN=c1ncc(-c2ccccc2)c[nH]1 34240047 169238844 /nfs/dbraw/zinc/23/88/44/169238844.db2.gz LMFJCTVBDCMPAI-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN NNc1cccc(Cc2cccnc2)c1 196791057 169238854 /nfs/dbraw/zinc/23/88/54/169238854.db2.gz OADMMMUDKPJCJZ-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN NN=c1[nH]c2c(s1)CCCCC2 43560038 169238862 /nfs/dbraw/zinc/23/88/62/169238862.db2.gz ZELBNZXYLSTJSB-UHFFFAOYSA-N 0 0 183.280 1.698 10 0 ADAERN NNc1cncc2ccccc12 39119732 169238873 /nfs/dbraw/zinc/23/88/73/169238873.db2.gz BGLPYJBGGLPOCJ-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN NNc1ccc2c(c1)OCCCO2 82587955 169238880 /nfs/dbraw/zinc/23/88/80/169238880.db2.gz ZCCJPPDDEXPNPU-UHFFFAOYSA-N 0 0 180.207 1.134 10 0 ADAERN NNc1cccc2[nH]ccc12 21015085 169238892 /nfs/dbraw/zinc/23/88/92/169238892.db2.gz GDNCLPSXIYOTLI-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN NNc1ccc2c(c1)CCCC2 39213415 169238903 /nfs/dbraw/zinc/23/89/03/169238903.db2.gz DDESOTPPLFAWEJ-UHFFFAOYSA-N 0 0 162.236 1.851 10 0 ADAERN NN=c1[nH]c2ccc(N)cc2s1 45237620 169238906 /nfs/dbraw/zinc/23/89/06/169238906.db2.gz HRZGOPLSVGXOHA-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN NN=c1[nH]c2cccnc2n1C1CC1 75948969 169238913 /nfs/dbraw/zinc/23/89/13/169238913.db2.gz IBXDWKHUDYREHH-UHFFFAOYSA-N 0 0 189.222 1.052 10 0 ADAERN NNc1n[nH]c2cc(Cl)ccc12 89196029 169238924 /nfs/dbraw/zinc/23/89/24/169238924.db2.gz GLGYQJYVIVFJHC-UHFFFAOYSA-N 0 0 182.614 1.502 10 0 ADAERN NNc1ccc2c(c1)NC(=O)CS2 82588889 169238949 /nfs/dbraw/zinc/23/89/49/169238949.db2.gz MBMVWUIIUQAXTA-UHFFFAOYSA-N 0 0 195.247 1.016 10 0 ADAERN NN=c1[nH]c2cccc(Cl)c2o1 62520289 169238950 /nfs/dbraw/zinc/23/89/50/169238950.db2.gz NBXAJZPRKGFZTM-UHFFFAOYSA-N 0 0 183.598 1.767 10 0 ADAERN NN=c1[nH]c2cc(F)ccc2o1 34240044 169238958 /nfs/dbraw/zinc/23/89/58/169238958.db2.gz XDNMMFLAVCPMHT-UHFFFAOYSA-N 0 0 167.143 1.253 10 0 ADAERN NNc1ccnc2c(F)c(F)ccc12 36075572 169238975 /nfs/dbraw/zinc/23/89/75/169238975.db2.gz OZXGVNIMUFZTFF-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN NN=c1[nH]c2cc(N)ccc2s1 45237201 169238980 /nfs/dbraw/zinc/23/89/80/169238980.db2.gz MNLZQXHVLIEVCQ-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN NN=c1[nH]c(-c2ccccc2)co1 39626185 169238995 /nfs/dbraw/zinc/23/89/95/169238995.db2.gz KMIYDIMMAZXFMI-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN NNc1ccnc2cc(F)c(F)cc12 51151975 169238998 /nfs/dbraw/zinc/23/89/98/169238998.db2.gz PFIZTSBPOCQNAQ-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN NNc1ccc2occc2c1 75538137 169239002 /nfs/dbraw/zinc/23/90/02/169239002.db2.gz HWTKBLIUPZABDS-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN NNc1ccc2ccc(NN)cc2c1 75578709 169239021 /nfs/dbraw/zinc/23/90/21/169239021.db2.gz MQTKZLVRVTYPNQ-UHFFFAOYSA-N 0 0 188.234 1.411 10 0 ADAERN NNc1cnc2cc(F)ccc2n1 75568197 169239097 /nfs/dbraw/zinc/23/90/97/169239097.db2.gz FUTGOEAFXOXKNE-UHFFFAOYSA-N 0 0 178.170 1.055 10 0 ADAERN NNc1cccc(OC(F)F)c1 4076940 169239104 /nfs/dbraw/zinc/23/91/04/169239104.db2.gz MSEQTPQCVUHAHA-UHFFFAOYSA-N 0 0 174.150 1.574 10 0 ADAERN NNc1nc(Cl)nc2c1CN=N2 89222865 169239107 /nfs/dbraw/zinc/23/91/07/169239107.db2.gz OIGLNLMDDIUGPZ-UHFFFAOYSA-N 0 0 184.590 1.013 10 0 ADAERN NNc1ccc2oc(=O)ccc2c1 38312373 169239112 /nfs/dbraw/zinc/23/91/12/169239112.db2.gz WCVALDZWPBJPPN-UHFFFAOYSA-N 0 0 176.175 1.079 10 0 ADAERN NNc1ccnc2c(F)cc(F)cc12 36075567 169239123 /nfs/dbraw/zinc/23/91/23/169239123.db2.gz JHHZSZVUCIFVSG-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN NNc1ccnc2cc(F)cc(F)c12 51151907 169239128 /nfs/dbraw/zinc/23/91/28/169239128.db2.gz AAWPJKFVRPTMOP-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN NN=c1[nH]c2cc(F)ccc2s1 39116903 169239129 /nfs/dbraw/zinc/23/91/29/169239129.db2.gz FDQUCJWEBNCOHJ-UHFFFAOYSA-N 0 0 183.211 1.721 10 0 ADAERN NNc1ccnc(-c2ccsc2)n1 51153526 169239139 /nfs/dbraw/zinc/23/91/39/169239139.db2.gz TVVXWKLTRACTDN-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN NNc1ccc2c(c1)CCCO2 82587597 169239154 /nfs/dbraw/zinc/23/91/54/169239154.db2.gz QEJFPXZIYACYBU-UHFFFAOYSA-N 0 0 164.208 1.297 10 0 ADAERN NNc1cnc(-c2ccccc2)cn1 39419607 169239194 /nfs/dbraw/zinc/23/91/94/169239194.db2.gz MHTNEGXFDFQNIX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN NN=c1[nH]c2cccc(F)c2o1 62498546 169239216 /nfs/dbraw/zinc/23/92/16/169239216.db2.gz QQAOGUXSPKDCKR-UHFFFAOYSA-N 0 0 167.143 1.253 10 0 ADAERN NN=c1[nH]c(C2CC2)cs1 43560059 169239220 /nfs/dbraw/zinc/23/92/20/169239220.db2.gz CGNOUCKQMGZGGU-UHFFFAOYSA-N 0 0 155.226 1.306 10 0 ADAERN NOCCc1ccccc1F 42750215 169239336 /nfs/dbraw/zinc/23/93/36/169239336.db2.gz DTVLEEJVQOIFTI-UHFFFAOYSA-N 0 0 155.172 1.259 10 0 ADAERN NOCc1cc(F)ccc1Cl 76601181 169239380 /nfs/dbraw/zinc/23/93/80/169239380.db2.gz UNXNSCLSEUKAGM-UHFFFAOYSA-N 0 0 175.590 1.869 10 0 ADAERN NOCc1ccc(Cl)c(F)c1 76601184 169239419 /nfs/dbraw/zinc/23/94/19/169239419.db2.gz YTMFTKIDJNCCGZ-UHFFFAOYSA-N 0 0 175.590 1.869 10 0 ADAERN NOCCSc1ccccc1 39325659 169239421 /nfs/dbraw/zinc/23/94/21/169239421.db2.gz SNOUISOFFNFLTM-UHFFFAOYSA-N 0 0 169.249 1.669 10 0 ADAERN NOCCc1ccc(F)cc1 42750219 169239424 /nfs/dbraw/zinc/23/94/24/169239424.db2.gz CLXOOUQKESJRRE-UHFFFAOYSA-N 0 0 155.172 1.259 10 0 ADAERN NOCCc1cccc(F)c1 42750217 169239446 /nfs/dbraw/zinc/23/94/46/169239446.db2.gz YPGYJTYKYFCFEO-UHFFFAOYSA-N 0 0 155.172 1.259 10 0 ADAERN NOCCOCc1ccccc1 38324913 169239468 /nfs/dbraw/zinc/23/94/68/169239468.db2.gz QCGLSKQHZHTJMW-UHFFFAOYSA-N 0 0 167.208 1.094 10 0 ADAERN NOCCOc1ccc(F)cc1 19727752 169239480 /nfs/dbraw/zinc/23/94/80/169239480.db2.gz YGHITBIINJCZHQ-UHFFFAOYSA-N 0 0 171.171 1.095 10 0 ADAERN NOCc1cc(F)ccc1F 76593248 169239496 /nfs/dbraw/zinc/23/94/96/169239496.db2.gz ZZOCGYKARLYOFY-UHFFFAOYSA-N 0 0 159.135 1.355 10 0 ADAERN NOCCc1ccccc1Cl 42750227 169239578 /nfs/dbraw/zinc/23/95/78/169239578.db2.gz NMEKKXAXZPYVJA-UHFFFAOYSA-N 0 0 171.627 1.773 10 0 ADAERN NOC[C@@H](O)c1ccc(Cl)cc1 49806214 169239599 /nfs/dbraw/zinc/23/95/99/169239599.db2.gz LKLNQVWKMVTSSX-MRVPVSSYSA-N 0 0 187.626 1.264 10 0 ADAERN NOCc1cccc2cccnc12 1692723 169239600 /nfs/dbraw/zinc/23/96/00/169239600.db2.gz LBCTWQBHIXYGHP-UHFFFAOYSA-N 0 0 174.203 1.625 10 0 ADAERN NOCc1ccc2nc(N)sc2c1 45235882 169239641 /nfs/dbraw/zinc/23/96/41/169239641.db2.gz GPGMONYWJAPGPN-UHFFFAOYSA-N 0 0 195.247 1.269 10 0 ADAERN NOCc1cccs1 34497542 169239668 /nfs/dbraw/zinc/23/96/68/169239668.db2.gz IBRFQKKMRBKIFY-UHFFFAOYSA-N 0 0 129.184 1.138 10 0 ADAERN NOCc1ccc(Cl)s1 34588933 169239678 /nfs/dbraw/zinc/23/96/78/169239678.db2.gz WZCRVUVNPHYCBG-UHFFFAOYSA-N 0 0 163.629 1.792 10 0 ADAERN NOC[C@H](O)c1ccc2c(c1)CCC2 49807112 169239738 /nfs/dbraw/zinc/23/97/38/169239738.db2.gz RRCHQZICOOVOFO-NSHDSACASA-N 0 0 193.246 1.099 10 0 ADAERN NOCc1cc2ccccc2[nH]1 76594210 169239745 /nfs/dbraw/zinc/23/97/45/169239745.db2.gz VTOPCOAYAVMMMR-UHFFFAOYSA-N 0 0 162.192 1.558 10 0 ADAERN NOCCc1ccsc1 38301447 169239753 /nfs/dbraw/zinc/23/97/53/169239753.db2.gz PCTOOBAVKKAKAB-UHFFFAOYSA-N 0 0 143.211 1.181 10 0 ADAERN NOC[C@H](O)c1ccc(Cl)cc1 49806215 169239767 /nfs/dbraw/zinc/23/97/67/169239767.db2.gz LKLNQVWKMVTSSX-QMMMGPOBSA-N 0 0 187.626 1.264 10 0 ADAERN NOCC/C=C/c1cc[nH]c1 71495440 169239776 /nfs/dbraw/zinc/23/97/76/169239776.db2.gz FEUAPJFOUUEFOL-HNQUOIGGSA-N 0 0 152.197 1.308 10 0 ADAERN NOCc1ccc(F)c(F)c1 39088783 169239794 /nfs/dbraw/zinc/23/97/94/169239794.db2.gz JMDMKAAYVUMVCB-UHFFFAOYSA-N 0 0 159.135 1.355 10 0 ADAERN NOCCc1c[nH]c2ccccc12 76601407 169239824 /nfs/dbraw/zinc/23/98/24/169239824.db2.gz AMQYNQWESFDFCL-UHFFFAOYSA-N 0 0 176.219 1.601 10 0 ADAERN NOCCCOc1ccccc1 19727819 169239849 /nfs/dbraw/zinc/23/98/49/169239849.db2.gz NTPURQWACGYLAO-UHFFFAOYSA-N 0 0 167.208 1.346 10 0 ADAERN NOC[C@@H](O)c1ccc(Cl)s1 49807284 169239871 /nfs/dbraw/zinc/23/98/71/169239871.db2.gz XBYZCXZLGDEQGI-SCSAIBSYSA-N 0 0 193.655 1.325 10 0 ADAERN NNc1nccnc1-c1ccccc1 39419608 169239962 /nfs/dbraw/zinc/23/99/62/169239962.db2.gz YRZZTHXOAMZZJG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN NOCCCc1cccs1 19729376 169240004 /nfs/dbraw/zinc/24/00/04/169240004.db2.gz CSEYVTQRTKSQGW-UHFFFAOYSA-N 0 0 157.238 1.571 10 0 ADAERN NOC[C@@H](O)c1ccc2c(c1)CCC2 49807111 169240012 /nfs/dbraw/zinc/24/00/12/169240012.db2.gz RRCHQZICOOVOFO-LLVKDONJSA-N 0 0 193.246 1.099 10 0 ADAERN NOCCC1CCCC1 76572366 169240019 /nfs/dbraw/zinc/24/00/19/169240019.db2.gz QFEVYMPXFYQUMR-UHFFFAOYSA-N 0 0 129.203 1.457 10 0 ADAERN NOCCCc1ccccc1 2024411 169240157 /nfs/dbraw/zinc/24/01/57/169240157.db2.gz PXZSPXCYXONDTD-UHFFFAOYSA-N 0 0 151.209 1.510 10 0 ADAERN NOCCc1ccc(Cl)cc1 42750231 169240162 /nfs/dbraw/zinc/24/01/62/169240162.db2.gz LUTQLPWTVZDKQP-UHFFFAOYSA-N 0 0 171.627 1.773 10 0 ADAERN NOCC(=O)c1ccc(Cl)cc1 77010291 169240168 /nfs/dbraw/zinc/24/01/68/169240168.db2.gz ARWMSSUOUUVEFY-UHFFFAOYSA-N 0 0 185.610 1.413 10 0 ADAERN NOCc1c[nH]c2ccccc12 76594236 169240206 /nfs/dbraw/zinc/24/02/06/169240206.db2.gz JALVFRPCYVJKPR-UHFFFAOYSA-N 0 0 162.192 1.558 10 0 ADAERN NOCc1ccc(Cl)cc1F 19733278 169240211 /nfs/dbraw/zinc/24/02/11/169240211.db2.gz MGKVAYOSYMCQKK-UHFFFAOYSA-N 0 0 175.590 1.869 10 0 ADAERN NOCCCCOc1ccccc1 45325173 169240218 /nfs/dbraw/zinc/24/02/18/169240218.db2.gz RXAJLUDOZWAUFF-UHFFFAOYSA-N 0 0 181.235 1.736 10 0 ADAERN NOCCc1cccs1 76575881 169240280 /nfs/dbraw/zinc/24/02/80/169240280.db2.gz GCOCJZCOXREVJL-UHFFFAOYSA-N 0 0 143.211 1.181 10 0 ADAERN NOCCC1CCCCC1 76576008 169240289 /nfs/dbraw/zinc/24/02/89/169240289.db2.gz UAFRSTLKXSGGCE-UHFFFAOYSA-N 0 0 143.230 1.847 10 0 ADAERN NOCCCc1ccc(F)cc1 19729384 169240295 /nfs/dbraw/zinc/24/02/95/169240295.db2.gz MREVYXPWRVJEPQ-UHFFFAOYSA-N 0 0 169.199 1.649 10 0 ADAERN NOC[C@H](O)c1ccc(Cl)s1 49807285 169240297 /nfs/dbraw/zinc/24/02/97/169240297.db2.gz XBYZCXZLGDEQGI-BYPYZUCNSA-N 0 0 193.655 1.325 10 0 ADAERN NOc1nc2ccccc2s1 45237022 169240450 /nfs/dbraw/zinc/24/04/50/169240450.db2.gz UINYDMAAOZDQFL-UHFFFAOYSA-N 0 0 166.205 1.549 10 0 ADAERN NOc1cccc(C(F)(F)F)c1 76601765 169240456 /nfs/dbraw/zinc/24/04/56/169240456.db2.gz GJXWOKYFWORCHY-UHFFFAOYSA-N 0 0 177.125 1.958 10 0 ADAERN NOc1cccc2cccnc12 76593665 169240460 /nfs/dbraw/zinc/24/04/60/169240460.db2.gz CMUYSZXJWRGFQF-UHFFFAOYSA-N 0 0 160.176 1.487 10 0 ADAERN NOc1ccc2c(c1)CCCC2 75545824 169240506 /nfs/dbraw/zinc/24/05/06/169240506.db2.gz DUTJYJJSSBOKHN-UHFFFAOYSA-N 0 0 163.220 1.818 10 0 ADAERN NOc1ccc(F)cc1F 76576758 169240633 /nfs/dbraw/zinc/24/06/33/169240633.db2.gz XNCOIYWNDIMGRD-UHFFFAOYSA-N 0 0 145.108 1.217 10 0 ADAERN NOc1cccc(Cl)c1 34016776 169240957 /nfs/dbraw/zinc/24/09/57/169240957.db2.gz AVUVUPKMLVZJOL-UHFFFAOYSA-N 0 0 143.573 1.593 10 0 ADAERN NS(=O)(=O)c1cc(Cl)cs1 39054570 169241011 /nfs/dbraw/zinc/24/10/11/169241011.db2.gz VNYMMFINWSHARA-UHFFFAOYSA-N 0 0 197.668 1.049 10 0 ADAERN NS(=O)(=O)c1ccc2occc2c1 34751461 169241216 /nfs/dbraw/zinc/24/12/16/169241216.db2.gz ITOAGDKJWLAULZ-UHFFFAOYSA-N 0 0 197.215 1.080 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1cccc2cc[nH]c12 82390579 169241372 /nfs/dbraw/zinc/24/13/72/169241372.db2.gz MNPCWMAXNFNSLE-MRVPVSSYSA-N 0 0 190.202 1.252 10 0 ADAERN [NH3+][C@@H](/C=C\c1ccccc1)C(=O)[O-] 31519413 169241439 /nfs/dbraw/zinc/24/14/39/169241439.db2.gz JDMFMPYPEPMAGS-NMTCXDENSA-N 0 0 177.203 1.112 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@@H](F)c1ccccc1 38605857 169241522 /nfs/dbraw/zinc/24/15/22/169241522.db2.gz HECUEIAXNNOLLY-JGVFFNPUSA-N 0 0 183.182 1.109 10 0 ADAERN NSCc1nc2ccccc2[nH]1 95923041 169241690 /nfs/dbraw/zinc/24/16/90/169241690.db2.gz HXBNOXUTJOPPII-UHFFFAOYSA-N 0 0 179.248 1.670 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1cc2ccccc2[nH]1 82882516 169241838 /nfs/dbraw/zinc/24/18/38/169241838.db2.gz IQTCOFUVYYKLIP-SECBINFHSA-N 0 0 190.202 1.252 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1cccc2ccoc12 82888961 169241862 /nfs/dbraw/zinc/24/18/62/169241862.db2.gz QTSKNZVXVHFQFL-MRVPVSSYSA-N 0 0 191.186 1.517 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1ccc2cc[nH]c2c1 82390578 169242081 /nfs/dbraw/zinc/24/20/81/169242081.db2.gz KMVFUFSWTGGBLA-SECBINFHSA-N 0 0 190.202 1.252 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1ccc2ccoc2c1 82389808 169242145 /nfs/dbraw/zinc/24/21/45/169242145.db2.gz GILYZCCEWSWAKM-SECBINFHSA-N 0 0 191.186 1.517 10 0 ADAERN N[C@@H](C(=O)NC1CC1)c1cccs1 77296039 169242161 /nfs/dbraw/zinc/24/21/61/169242161.db2.gz FWBYFBAPHWDQON-MRVPVSSYSA-N 0 0 196.275 1.027 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1ccc(N=O)cc1 4088495 169242164 /nfs/dbraw/zinc/24/21/64/169242164.db2.gz YYCNTMPHDDBZJR-SSDOTTSWSA-N 0 0 180.163 1.169 10 0 ADAERN NSc1ccncc1 71610486 169242265 /nfs/dbraw/zinc/24/22/65/169242265.db2.gz LRCISSCKFLMHJG-UHFFFAOYSA-N 0 0 126.184 1.047 10 0 ADAERN NSc1nc2ccccc2[nH]1 95923053 169242417 /nfs/dbraw/zinc/24/24/17/169242417.db2.gz ZDXCSDOLRSKTIP-UHFFFAOYSA-N 0 0 165.221 1.529 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1cccc2occc12 82389810 169242433 /nfs/dbraw/zinc/24/24/33/169242433.db2.gz TWTCWMQVQWRNOA-SECBINFHSA-N 0 0 191.186 1.517 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])C1=CCCCCCC1 5464010 169242520 /nfs/dbraw/zinc/24/25/20/169242520.db2.gz LRXGLWRNFLTEBN-SECBINFHSA-N 0 0 183.251 1.679 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1ccc2occc2c1 59190435 169242560 /nfs/dbraw/zinc/24/25/60/169242560.db2.gz DHVSDUWDPIWPOP-SECBINFHSA-N 0 0 191.186 1.517 10 0 ADAERN NS(=O)(=O)c1cccc2occc12 39054583 169242588 /nfs/dbraw/zinc/24/25/88/169242588.db2.gz JWSTWZQANGMBIR-UHFFFAOYSA-N 0 0 197.215 1.080 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@H](F)c1ccccc1 34596778 169242602 /nfs/dbraw/zinc/24/26/02/169242602.db2.gz HECUEIAXNNOLLY-HTQZYQBOSA-N 0 0 183.182 1.109 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1ccoc1Cl 83272414 169242624 /nfs/dbraw/zinc/24/26/24/169242624.db2.gz RMCZGMLQJWFVQV-SCSAIBSYSA-N 0 0 175.571 1.017 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1ccoc1Cl 83277393 169242870 /nfs/dbraw/zinc/24/28/70/169242870.db2.gz MKAPZDHVPFOENQ-YFKPBYRVSA-N 0 0 189.598 1.408 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1ccc(O)cc1F 82911693 169242881 /nfs/dbraw/zinc/24/28/81/169242881.db2.gz LNNUJLPVAQAXLA-QMMMGPOBSA-N 0 0 199.181 1.006 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1csc(C2CC2)n1 83282657 169242948 /nfs/dbraw/zinc/24/29/48/169242948.db2.gz ZUIGTZICDYIBEY-ZCFIWIBFSA-N 0 0 198.247 1.105 10 0 ADAERN [NH3+][C@@H](CC1=CCCCC1)C(=O)[O-] 34049684 169243053 /nfs/dbraw/zinc/24/30/53/169243053.db2.gz HENPBTOHCYVWAU-QMMMGPOBSA-N 0 0 169.224 1.289 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1coc(Cl)c1 83272416 169243081 /nfs/dbraw/zinc/24/30/81/169243081.db2.gz QTIOUHOQTOGCCT-RXMQYKEDSA-N 0 0 175.571 1.017 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])c1ccc(Cl)o1 44216995 169243299 /nfs/dbraw/zinc/24/32/99/169243299.db2.gz ZMCNXMAQNHUVCI-BYPYZUCNSA-N 0 0 189.598 1.408 10 0 ADAERN [NH3+][C@@H](CCC(=O)[O-])c1cccc(F)c1 82909943 169243415 /nfs/dbraw/zinc/24/34/15/169243415.db2.gz AFOGEIPHDANNJG-VIFPVBQESA-N 0 0 197.209 1.690 10 0 ADAERN N[C@@H](C1=COCC1)C(F)(F)F 79036652 169243535 /nfs/dbraw/zinc/24/35/35/169243535.db2.gz WSWIATCXDLLGHZ-YFKPBYRVSA-N 0 0 167.130 1.180 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])c1coc2ccccc12 82888956 169243546 /nfs/dbraw/zinc/24/35/46/169243546.db2.gz OYIDOLGSIGTJIL-SECBINFHSA-N 0 0 191.186 1.517 10 0 ADAERN [NH3+][C@@H](CCC(=O)[O-])c1cccs1 20217153 169243821 /nfs/dbraw/zinc/24/38/21/169243821.db2.gz MQXVPVVZSNSGRU-LURJTMIESA-N 0 0 185.248 1.613 10 0 ADAERN [NH3+][C@@H](CCc1ccccc1)[P@@H](=O)[O-] 29313428 169244273 /nfs/dbraw/zinc/24/42/73/169244273.db2.gz BFYOJKDRJIERJF-SECBINFHSA-N 0 0 199.190 1.371 10 0 in-vivo ADAERN N[C@@H](CCO)c1nc2ccccc2o1 40710815 169244809 /nfs/dbraw/zinc/24/48/09/169244809.db2.gz FRTKCCMPCJXPPR-ZETCQYMHSA-N 0 0 192.218 1.210 10 0 ADAERN N[C@@H](CO)c1nc2ccccc2s1 19435962 169246607 /nfs/dbraw/zinc/24/66/07/169246607.db2.gz KMQLZOLDUZDSFO-LURJTMIESA-N 0 0 194.259 1.288 10 0 ADAERN N[C@@H](Cc1cccs1)c1nnco1 83342277 169247111 /nfs/dbraw/zinc/24/71/11/169247111.db2.gz CRGNPIARYZYILS-ZETCQYMHSA-N 0 0 195.247 1.374 10 0 ADAERN [NH3+][C@@H](CSC1CCCC1)C(=O)[O-] 19436736 169247391 /nfs/dbraw/zinc/24/73/91/169247391.db2.gz LZFZTBCCYBIAMU-ZETCQYMHSA-N 0 0 189.280 1.074 10 0 ADAERN N[C@@H](Cc1ccco1)C(F)(F)F 51971811 169247651 /nfs/dbraw/zinc/24/76/51/169247651.db2.gz FVWAROBEPIKTFJ-LURJTMIESA-N 0 0 179.141 1.712 10 0 ADAERN N[C@@H]([C@@H]1CCCCC1=O)C(F)(F)F 21997871 169248104 /nfs/dbraw/zinc/24/81/04/169248104.db2.gz ANDMRDNGEUCPBL-VDTYLAMSSA-N 0 0 195.184 1.635 10 0 ADAERN N[C@@H]([C@H]1CCCCC1=O)C(F)(F)F 21997880 169248467 /nfs/dbraw/zinc/24/84/67/169248467.db2.gz ANDMRDNGEUCPBL-FSPLSTOPSA-N 0 0 195.184 1.635 10 0 ADAERN N[C@@H](Cc1ccccc1)c1nnco1 19676440 169248543 /nfs/dbraw/zinc/24/85/43/169248543.db2.gz ZKFXTVIQAWKNSD-VIFPVBQESA-N 0 0 189.218 1.312 10 0 ADAERN N[C@@H](c1ccco1)[C@@H](N)c1ccco1 34455240 169248764 /nfs/dbraw/zinc/24/87/64/169248764.db2.gz PMRJEHDCSFMKQJ-UWVGGRQHSA-N 0 0 192.218 1.572 10 0 ADAERN N[C@@H](c1nnco1)C1CCCC1 83339874 169248823 /nfs/dbraw/zinc/24/88/23/169248823.db2.gz FCRTXDSSSFSMDM-SSDOTTSWSA-N 0 0 167.212 1.260 10 0 ADAERN N[C@@H](c1ccoc1)c1ccco1 43606782 169248868 /nfs/dbraw/zinc/24/88/68/169248868.db2.gz SGSUKYYPBPGFKY-VIFPVBQESA-N 0 0 163.176 1.921 10 0 ADAERN N[C@@H](c1ccsc1)c1ncon1 36762031 169248892 /nfs/dbraw/zinc/24/88/92/169248892.db2.gz UAAXXDWGBCFCGJ-LURJTMIESA-N 0 0 181.220 1.179 10 0 ADAERN N[C@@H](c1ncon1)c1cccs1 41672975 169248955 /nfs/dbraw/zinc/24/89/55/169248955.db2.gz IZJBYDIUCBABFQ-ZCFIWIBFSA-N 0 0 181.220 1.179 10 0 ADAERN N[C@@H](c1ccc(F)cc1)c1nnco1 83341887 169249028 /nfs/dbraw/zinc/24/90/28/169249028.db2.gz YUTORFZCKGVTAY-QMMMGPOBSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@@H](c1cccnc1)c1ccco1 8699694 169249104 /nfs/dbraw/zinc/24/91/04/169249104.db2.gz WKSVYHARTZDFLJ-JTQLQIEISA-N 0 0 174.203 1.723 10 0 ADAERN [NH3+][C@@H](c1ccccc1)[P@@H](=O)[O-] 29326774 169249107 /nfs/dbraw/zinc/24/91/07/169249107.db2.gz JLTNHFQJNQZJTC-SSDOTTSWSA-N 0 0 171.136 1.111 10 0 ADAERN N[C@@H](c1cccnc1)c1nccs1 19929957 169249122 /nfs/dbraw/zinc/24/91/22/169249122.db2.gz PKWRSSCISGGXEO-QMMMGPOBSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@@H](c1nnco1)C1CCCCC1 83340629 169249128 /nfs/dbraw/zinc/24/91/28/169249128.db2.gz JTNXPEAEMADYQK-MRVPVSSYSA-N 0 0 181.239 1.650 10 0 ADAERN N[C@@H](c1cncnc1)c1ccco1 54446391 169249134 /nfs/dbraw/zinc/24/91/34/169249134.db2.gz OPDOULAOJAMZLA-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN N[C@@H](c1cscn1)c1ccco1 62356786 169249177 /nfs/dbraw/zinc/24/91/77/169249177.db2.gz VZGFJJIRUKUPRK-QMMMGPOBSA-N 0 0 180.232 1.784 10 0 ADAERN N[C@@H](c1ncno1)C1CCCCC1 40454134 169249224 /nfs/dbraw/zinc/24/92/24/169249224.db2.gz MMYOJTJCCQFTMO-MRVPVSSYSA-N 0 0 181.239 1.650 10 0 ADAERN N[C@@H](c1cn[nH]c1)c1ccco1 62777220 169249247 /nfs/dbraw/zinc/24/92/47/169249247.db2.gz NYTDJGYLRRWHEG-QMMMGPOBSA-N 0 0 163.180 1.051 10 0 ADAERN N[C@@H](c1ccccc1)c1nnco1 19676444 169249423 /nfs/dbraw/zinc/24/94/23/169249423.db2.gz AYUBTUXBTNQTHD-QMMMGPOBSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@@H](c1cc[nH]c1)C(F)(F)F 71495733 169249437 /nfs/dbraw/zinc/24/94/37/169249437.db2.gz LHTBNGDFLYZIQU-YFKPBYRVSA-N 0 0 164.130 1.577 10 0 ADAERN N[C@@H](c1cccc(O)c1)C(F)(F)F 38540730 169249438 /nfs/dbraw/zinc/24/94/38/169249438.db2.gz PPNJUQFYRVUHAM-ZETCQYMHSA-N 0 0 191.152 1.954 10 0 ADAERN N[C@@H](c1ncc[nH]1)c1ccccc1F 75872474 169249472 /nfs/dbraw/zinc/24/94/72/169249472.db2.gz BHXHHUKYKZDVMU-SECBINFHSA-N 0 0 191.209 1.597 10 0 ADAERN N[C@@H](c1ccc(F)cc1)c1ncon1 36762069 169249475 /nfs/dbraw/zinc/24/94/75/169249475.db2.gz YDOIWHNZPLLIFR-QMMMGPOBSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@@H](c1cccc(F)c1)c1nnco1 83341891 169249534 /nfs/dbraw/zinc/24/95/34/169249534.db2.gz KKOQRVNTODASGH-QMMMGPOBSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@@H](c1ccncc1)c1ccco1 8699678 169249555 /nfs/dbraw/zinc/24/95/55/169249555.db2.gz GLPAEIVGZGTOBM-JTQLQIEISA-N 0 0 174.203 1.723 10 0 ADAERN N[C@@H](c1ccc2c(c1)CCO2)C(F)F 20475387 169249604 /nfs/dbraw/zinc/24/96/04/169249604.db2.gz IEOCXEFLWNBXHF-VIFPVBQESA-N 0 0 199.200 1.886 10 0 ADAERN N[C@@H](c1ccccc1)c1ncco1 82529310 169249630 /nfs/dbraw/zinc/24/96/30/169249630.db2.gz PNTDTPUECVLIQT-VIFPVBQESA-N 0 0 174.203 1.723 10 0 ADAERN N[C@@H](c1ccc[nH]1)c1ccco1 11822514 169249634 /nfs/dbraw/zinc/24/96/34/169249634.db2.gz FBJXCCSONOBEOT-VIFPVBQESA-N 0 0 162.192 1.656 10 0 ADAERN N[C@@H](c1cncc(F)c1)c1ccco1 54455902 169249713 /nfs/dbraw/zinc/24/97/13/169249713.db2.gz FFNCNIXAKQFFJK-JTQLQIEISA-N 0 0 192.193 1.862 10 0 ADAERN N[C@@H](c1ccncc1)c1nccs1 19930072 169249770 /nfs/dbraw/zinc/24/97/70/169249770.db2.gz NDNQTJNAUDDMIY-QMMMGPOBSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@@H](c1ccncc1)c1ncco1 75871656 169249799 /nfs/dbraw/zinc/24/97/99/169249799.db2.gz ORLFOPKYGCXZKK-QMMMGPOBSA-N 0 0 175.191 1.118 10 0 ADAERN [NH3+][C@@H](c1ccccc1)C1N=CC([O-])=N1 105866470 169249824 /nfs/dbraw/zinc/24/98/24/169249824.db2.gz AVMZCIHPSWPREM-VIFPVBQESA-N 0 0 189.218 1.163 10 0 ADAERN N[C@@H](c1cncnc1)C(F)(F)F 82718530 169249875 /nfs/dbraw/zinc/24/98/75/169249875.db2.gz LDKFSYXALVOMNE-YFKPBYRVSA-N 0 0 177.129 1.039 10 0 ADAERN N[C@@H](c1ccccn1)c1nccs1 19930129 169249913 /nfs/dbraw/zinc/24/99/13/169249913.db2.gz SQUUHQDUFWRUGE-QMMMGPOBSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@@H](c1ncon1)c1ccccc1F 36762086 169249934 /nfs/dbraw/zinc/24/99/34/169249934.db2.gz ODDNELPNGOONFE-MRVPVSSYSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@@H](c1cnccn1)c1cccs1 19932692 169249958 /nfs/dbraw/zinc/24/99/58/169249958.db2.gz YFSZZGNOEQCRGC-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN N[C@@H](c1ccns1)C(F)(F)F 82395537 169250066 /nfs/dbraw/zinc/25/00/66/169250066.db2.gz BDIZUZCDQPBRRS-BYPYZUCNSA-N 0 0 182.170 1.705 10 0 ADAERN N[C@@H](c1cccc(F)c1)c1ncon1 36762036 169250084 /nfs/dbraw/zinc/25/00/84/169250084.db2.gz DWMGGOAYFNKDAF-QMMMGPOBSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@@H](c1ccccc1)c1ncno1 40454042 169250097 /nfs/dbraw/zinc/25/00/97/169250097.db2.gz ORORHGBCOQHHLC-QMMMGPOBSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@@H](c1ccco1)c1nccs1 11822551 169250111 /nfs/dbraw/zinc/25/01/11/169250111.db2.gz LLARDIMSZOYOHF-ZETCQYMHSA-N 0 0 180.232 1.784 10 0 ADAERN N[C@@H](c1nnco1)c1ccccc1F 83341890 169250141 /nfs/dbraw/zinc/25/01/41/169250141.db2.gz SRQNEBUTSLPQBV-MRVPVSSYSA-N 0 0 193.181 1.257 10 0 ADAERN [NH3+][C@@H]1C=C2CCCC[C@H]2C[C@@H]1C(=O)[O-] 39082851 169250366 /nfs/dbraw/zinc/25/03/66/169250366.db2.gz HZHBNTZILDILHM-UJNFCWOMSA-N 0 0 195.262 1.535 10 0 ADAERN [NH3+][C@@H]1C=C2CCCC[C@@H]2C[C@H]1C(=O)[O-] 256298060 169250598 /nfs/dbraw/zinc/25/05/98/169250598.db2.gz HZHBNTZILDILHM-SZEHBUNVSA-N 0 0 195.262 1.535 10 0 ADAERN [NH3+][C@@H]1CCC=CCC[C@H]1C(=O)[O-] 41701895 169250899 /nfs/dbraw/zinc/25/08/99/169250899.db2.gz UPJMACBYICUIDP-HTQZYQBOSA-N 0 0 169.224 1.145 10 0 ADAERN [NH3+][C@@H]1C=C2CCCC[C@H]2C[C@H]1C(=O)[O-] 39082847 169251305 /nfs/dbraw/zinc/25/13/05/169251305.db2.gz HZHBNTZILDILHM-FXBDTBDDSA-N 0 0 195.262 1.535 10 0 ADAERN [NH3+][C@@H]1CCCC[C@@H]1n1cc([O-])cn1 82395801 169251896 /nfs/dbraw/zinc/25/18/96/169251896.db2.gz JNCHMYDQKQMEKF-BDAKNGLRSA-N 0 0 181.239 1.031 10 0 ADAERN [NH3+][C@@H]1CCCC[C@H]1n1cc([O-])cn1 82395800 169252225 /nfs/dbraw/zinc/25/22/25/169252225.db2.gz JNCHMYDQKQMEKF-RKDXNWHRSA-N 0 0 181.239 1.031 10 0 ADAERN [NH3+][C@@H]1CCCCc2onc(C(=O)[O-])c21 82389936 169252586 /nfs/dbraw/zinc/25/25/86/169252586.db2.gz SFNGHMBMLGWMIX-RXMQYKEDSA-N 0 0 196.206 1.099 10 0 ADAERN [NH3+][C@@H]1CCCc2sc(C(=O)[O-])cc21 82326957 169252810 /nfs/dbraw/zinc/25/28/10/169252810.db2.gz CYSGLYBVCURHCO-ZCFIWIBFSA-N 0 0 197.259 1.782 10 0 ADAERN [NH3+][C@@H]1CCC[C@@H](n2cc([O-])cn2)C1 82395796 169253052 /nfs/dbraw/zinc/25/30/52/169253052.db2.gz VYLBXTQUYYTICY-HTQZYQBOSA-N 0 0 181.239 1.031 10 0 ADAERN [NH3+][C@@H]1CCCc2occ(C(=O)[O-])c21 82396110 169253233 /nfs/dbraw/zinc/25/32/33/169253233.db2.gz SFQHDXLUFRPYEN-ZCFIWIBFSA-N 0 0 181.191 1.314 10 0 ADAERN [NH3+][C@@H]1CCCc2oc(C(=O)[O-])cc21 82396168 169253267 /nfs/dbraw/zinc/25/32/67/169253267.db2.gz ZGPOLVOYNPODAP-ZCFIWIBFSA-N 0 0 181.191 1.314 10 0 ADAERN [NH3+][C@@H]1CCCc2scc(C(=O)[O-])c21 82385059 169253310 /nfs/dbraw/zinc/25/33/10/169253310.db2.gz ZTOLXRROFWPMJX-ZCFIWIBFSA-N 0 0 197.259 1.782 10 0 ADAERN [NH3+][C@@H]1CCCc2c1csc2C(=O)[O-] 82385056 169253561 /nfs/dbraw/zinc/25/35/61/169253561.db2.gz GFTGRXUJIVTGET-SSDOTTSWSA-N 0 0 197.259 1.782 10 0 ADAERN [NH3+][C@@H]1CCOc2c(C(=O)[O-])cccc21 104530366 169254272 /nfs/dbraw/zinc/25/42/72/169254272.db2.gz QRJZDAQMJZIVIE-MRVPVSSYSA-N 0 0 193.202 1.167 10 0 ADAERN [NH3+][C@@H]1CCc2c1csc2C(=O)[O-] 82394088 169255219 /nfs/dbraw/zinc/25/52/19/169255219.db2.gz HIEAKDIZPMRGTA-ZCFIWIBFSA-N 0 0 183.232 1.392 10 0 ADAERN [NH3+][C@@H]1CCc2c(csc2C(=O)[O-])C1 82385072 169255768 /nfs/dbraw/zinc/25/57/68/169255768.db2.gz XAURKAQVIGOBPN-ZCFIWIBFSA-N 0 0 197.259 1.262 10 0 ADAERN [NH3+][C@@H]1COCc2c(F)cccc21 115702489 169256354 /nfs/dbraw/zinc/25/63/54/169256354.db2.gz XRCYXCKAPZNPRD-SECBINFHSA-N 0 0 167.183 1.356 10 0 ADAERN [NH3+][C@@H]1COc2nc(Cl)ccc21 95761766 169256476 /nfs/dbraw/zinc/25/64/76/169256476.db2.gz SYHLOYSJDFKSRH-RXMQYKEDSA-N 0 0 170.599 1.127 10 0 ADAERN [NH3+][C@@H]1COc2c(Cl)cccc2[C@H]1O 84770019 169256581 /nfs/dbraw/zinc/25/65/81/169256581.db2.gz DZFZBIDZEFYQTN-HTQZYQBOSA-N 0 0 199.637 1.093 10 0 ADAERN [NH3+][C@@H]1COc2ccc(Cl)cc2[C@H]1O 84770034 169256644 /nfs/dbraw/zinc/25/66/44/169256644.db2.gz DIIJKXFRFQGBKC-VXNVDRBHSA-N 0 0 199.637 1.093 10 0 ADAERN [NH3+][C@@H]1COc2ccc(Cl)cc2[C@@H]1O 84770032 169256961 /nfs/dbraw/zinc/25/69/61/169256961.db2.gz DIIJKXFRFQGBKC-APPZFPTMSA-N 0 0 199.637 1.093 10 0 ADAERN [NH3+][C@@H]1COc2cc3c(cc21)CCCC3 42417472 169257549 /nfs/dbraw/zinc/25/75/49/169257549.db2.gz SZAGTRYGOPVKNV-LLVKDONJSA-N 0 0 189.258 1.958 10 0 ADAERN [NH3+][C@@H]1COc2c(Cl)cccc2[C@@H]1O 84770023 169257646 /nfs/dbraw/zinc/25/76/46/169257646.db2.gz DZFZBIDZEFYQTN-SFYZADRCSA-N 0 0 199.637 1.093 10 0 ADAERN [NH3+][C@@H]1CCc2sc(C(=O)[O-])cc2C1 82385065 169257800 /nfs/dbraw/zinc/25/78/00/169257800.db2.gz WNECTBVRUGBYKG-ZCFIWIBFSA-N 0 0 197.259 1.262 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])Cc2ccccc21 32167272 169257927 /nfs/dbraw/zinc/25/79/27/169257927.db2.gz RKIPVJTYSNOLJY-PSASIEDQSA-N 0 0 191.230 1.333 10 0 ADAERN [NH3+][C@@H]1C[C@@H](C(=O)[O-])c2c(F)cccc21 57937493 169258026 /nfs/dbraw/zinc/25/80/26/169258026.db2.gz DGEYOKBUBQXIOM-HTRCEHHLSA-N 0 0 195.193 1.397 10 0 ADAERN [NH3+][C@@H]1C[C@@H](C(=O)[O-])Cc2ccccc21 32167267 169258069 /nfs/dbraw/zinc/25/80/69/169258069.db2.gz RKIPVJTYSNOLJY-WCBMZHEXSA-N 0 0 191.230 1.333 10 0 ADAERN N[C@@H]1C[C@@H](c2ccc(F)cc2)OC1=O 57937477 169258261 /nfs/dbraw/zinc/25/82/61/169258261.db2.gz WXPRCCWKMPPBNE-BDAKNGLRSA-N 0 0 195.193 1.141 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])c2c(F)cccc21 57937496 169258293 /nfs/dbraw/zinc/25/82/93/169258293.db2.gz DGEYOKBUBQXIOM-POYBYMJQSA-N 0 0 195.193 1.397 10 0 ADAERN [NH3+][C@@H]1C[C@H](CC(=O)[O-])c2ccccc21 57937038 169258373 /nfs/dbraw/zinc/25/83/73/169258373.db2.gz GEEQQLMNMQDHDT-GMSGAONNSA-N 0 0 191.230 1.648 10 0 ADAERN N[C@@H]1C[C@@H](c2cccs2)OC1=O 57936425 169258460 /nfs/dbraw/zinc/25/84/60/169258460.db2.gz QANAPWFWMLKONA-RITPCOANSA-N 0 0 183.232 1.063 10 0 ADAERN [NH3+][C@@H]1C[C@@H](C(=O)[O-])c2ccc(F)cc21 57937484 169258482 /nfs/dbraw/zinc/25/84/82/169258482.db2.gz DKJAMBFOIXLNLD-RKDXNWHRSA-N 0 0 195.193 1.397 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])c2ccc(F)cc21 57937480 169258541 /nfs/dbraw/zinc/25/85/41/169258541.db2.gz DKJAMBFOIXLNLD-DTWKUNHWSA-N 0 0 195.193 1.397 10 0 ADAERN [NH3+][C@@H]1C[C@@H](C(=O)[O-])Cc2sccc21 39293992 169258550 /nfs/dbraw/zinc/25/85/50/169258550.db2.gz GGPHKGBPIYHFRJ-IYSWYEEDSA-N 0 0 197.259 1.395 10 0 ADAERN N[C@@H]1C[C@H](c2cccs2)OC1=O 57936427 169258565 /nfs/dbraw/zinc/25/85/65/169258565.db2.gz QANAPWFWMLKONA-PHDIDXHHSA-N 0 0 183.232 1.063 10 0 ADAERN [NH3+][C@@H]1C[C@@H](CC(=O)[O-])c2ccccc21 57937035 169258649 /nfs/dbraw/zinc/25/86/49/169258649.db2.gz GEEQQLMNMQDHDT-OIBJUYFYSA-N 0 0 191.230 1.648 10 0 ADAERN N[C@@H]1C[C@H](c2ccc(F)cc2)OC1=O 57937479 169258879 /nfs/dbraw/zinc/25/88/79/169258879.db2.gz WXPRCCWKMPPBNE-RKDXNWHRSA-N 0 0 195.193 1.141 10 0 ADAERN [NH3+][C@@H]1C[C@H](C(=O)[O-])Cc2sccc21 39293988 169258929 /nfs/dbraw/zinc/25/89/29/169258929.db2.gz GGPHKGBPIYHFRJ-CAHLUQPWSA-N 0 0 197.259 1.395 10 0 ADAERN N[C@@H]1Nc2ccccc2S1 34227264 169259259 /nfs/dbraw/zinc/25/92/59/169259259.db2.gz PVOBHWZVXBTENP-SSDOTTSWSA-N 0 0 152.222 1.447 10 0 ADAERN N[C@@H]1Cc2ccc(Cl)cc2C1=O 57936374 169259567 /nfs/dbraw/zinc/25/95/67/169259567.db2.gz KUCGNZDMJVUBIX-MRVPVSSYSA-N 0 0 181.622 1.406 10 0 ADAERN N[C@@H]1N=Nc2nc3ccccc3nc21 64490568 169259681 /nfs/dbraw/zinc/25/96/81/169259681.db2.gz HNQOBXLEAKVVES-MRVPVSSYSA-N 0 0 185.190 1.684 10 0 ADAERN N[C@@H]1OC2=C3CC=CC=C3C=C[C@H]2O1 45237487 169259982 /nfs/dbraw/zinc/25/99/82/169259982.db2.gz QHZZMEJFCAJCKS-KOLCDFICSA-N 0 0 189.214 1.354 10 0 ADAERN N[C@@H]1OC2=C3CC=CC=C3C=C[C@@H]2O1 45237489 169259986 /nfs/dbraw/zinc/25/99/86/169259986.db2.gz QHZZMEJFCAJCKS-ONGXEEELSA-N 0 0 189.214 1.354 10 0 ADAERN N[C@@H]1N=Nc2cccc(F)c21 91366094 169260116 /nfs/dbraw/zinc/26/01/16/169260116.db2.gz CDMSPXYBLMOSOV-SSDOTTSWSA-N 0 0 151.144 1.880 10 0 ADAERN N[C@@H]1N=Nc2cccnc21 39051583 169260219 /nfs/dbraw/zinc/26/02/19/169260219.db2.gz RZLALESOSDBMBJ-ZCFIWIBFSA-N 0 0 134.142 1.136 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CC[C@@H]2CCCC[C@@H]2C1 26894923 169260675 /nfs/dbraw/zinc/26/06/75/169260675.db2.gz FCWXRPOXFQYJOG-NGZCFLSTSA-N 0 0 197.278 1.759 10 0 ADAERN N[C@@H]1Oc2cc(F)ccc2S1 12375135 169261029 /nfs/dbraw/zinc/26/10/29/169261029.db2.gz BIUHNLBWMRFPCF-SSDOTTSWSA-N 0 0 171.196 1.553 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCC[C@@H]2CCCC[C@@H]21 1731041 169261460 /nfs/dbraw/zinc/26/14/60/169261460.db2.gz OYOLNPDLMYVECC-QXEWZRGKSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CC[C@H]2CCCC[C@@H]2C1 26894930 169261567 /nfs/dbraw/zinc/26/15/67/169261567.db2.gz FCWXRPOXFQYJOG-KKZNHRDASA-N 0 0 197.278 1.759 10 0 ADAERN N[C@H](C(=O)NC1CC1)c1cccs1 77296038 169261777 /nfs/dbraw/zinc/26/17/77/169261777.db2.gz FWBYFBAPHWDQON-QMMMGPOBSA-N 0 0 196.275 1.027 10 0 ADAERN N[C@@]1(Cl)CCc2ccccc21 98089791 169261803 /nfs/dbraw/zinc/26/18/03/169261803.db2.gz ARYUBFXXBCWOBP-VIFPVBQESA-N 0 0 167.639 1.983 10 0 ADAERN [NH3+][C@H](/C=C\c1ccccc1)C(=O)[O-] 31519417 169261937 /nfs/dbraw/zinc/26/19/37/169261937.db2.gz JDMFMPYPEPMAGS-ATJFRQLMSA-N 0 0 177.203 1.112 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1ccc(N=O)cc1 4088494 169261956 /nfs/dbraw/zinc/26/19/56/169261956.db2.gz YYCNTMPHDDBZJR-ZETCQYMHSA-N 0 0 180.163 1.169 10 0 ADAERN [NH3+][C@H](C(=O)[O-])C1=CCCCCCC1 5464009 169262254 /nfs/dbraw/zinc/26/22/54/169262254.db2.gz LRXGLWRNFLTEBN-VIFPVBQESA-N 0 0 183.251 1.679 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1ccc2occc2c1 59190434 169262269 /nfs/dbraw/zinc/26/22/69/169262269.db2.gz DHVSDUWDPIWPOP-VIFPVBQESA-N 0 0 191.186 1.517 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@H](F)c1ccccc1 38605855 169262305 /nfs/dbraw/zinc/26/23/05/169262305.db2.gz HECUEIAXNNOLLY-SFYZADRCSA-N 0 0 183.182 1.109 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1ccc2ccoc2c1 82389807 169262478 /nfs/dbraw/zinc/26/24/78/169262478.db2.gz GILYZCCEWSWAKM-VIFPVBQESA-N 0 0 191.186 1.517 10 0 ADAERN [NH3+][C@H](/C=C/c1ccccc1)C(=O)[O-] 3652308 169262704 /nfs/dbraw/zinc/26/27/04/169262704.db2.gz JDMFMPYPEPMAGS-XCODYQFDSA-N 0 0 177.203 1.112 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@@H](F)c1ccccc1 34622185 169262794 /nfs/dbraw/zinc/26/27/94/169262794.db2.gz HECUEIAXNNOLLY-YUMQZZPRSA-N 0 0 183.182 1.109 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1cc2ccccc2[nH]1 82882515 169262850 /nfs/dbraw/zinc/26/28/50/169262850.db2.gz IQTCOFUVYYKLIP-VIFPVBQESA-N 0 0 190.202 1.252 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1ccc2cc[nH]c2c1 72191077 169262882 /nfs/dbraw/zinc/26/28/82/169262882.db2.gz KMVFUFSWTGGBLA-VIFPVBQESA-N 0 0 190.202 1.252 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1cccc2cc[nH]c12 72191074 169263189 /nfs/dbraw/zinc/26/31/89/169263189.db2.gz MNPCWMAXNFNSLE-QMMMGPOBSA-N 0 0 190.202 1.252 10 0 ADAERN [NH3+][C@H](CC1=CCCCC1)C(=O)[O-] 34049685 169263332 /nfs/dbraw/zinc/26/33/32/169263332.db2.gz HENPBTOHCYVWAU-MRVPVSSYSA-N 0 0 169.224 1.289 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1cccc2occc12 82389809 169263405 /nfs/dbraw/zinc/26/34/05/169263405.db2.gz TWTCWMQVQWRNOA-VIFPVBQESA-N 0 0 191.186 1.517 10 0 ADAERN N[C@H](C1=COCC1)C(F)(F)F 79036646 169263537 /nfs/dbraw/zinc/26/35/37/169263537.db2.gz WSWIATCXDLLGHZ-RXMQYKEDSA-N 0 0 167.130 1.180 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1ccc(Cl)o1 44216992 169263798 /nfs/dbraw/zinc/26/37/98/169263798.db2.gz ZMCNXMAQNHUVCI-SCSAIBSYSA-N 0 0 189.598 1.408 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1coc2ccccc12 82888955 169264003 /nfs/dbraw/zinc/26/40/03/169264003.db2.gz OYIDOLGSIGTJIL-VIFPVBQESA-N 0 0 191.186 1.517 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1ccoc1Cl 83272413 169264029 /nfs/dbraw/zinc/26/40/29/169264029.db2.gz RMCZGMLQJWFVQV-BYPYZUCNSA-N 0 0 175.571 1.017 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1csc(C2CC2)n1 83282656 169264142 /nfs/dbraw/zinc/26/41/42/169264142.db2.gz ZUIGTZICDYIBEY-LURJTMIESA-N 0 0 198.247 1.105 10 0 ADAERN N[C@H](CC(F)(F)F)C(F)(F)F 17403654 169264144 /nfs/dbraw/zinc/26/41/44/169264144.db2.gz GULOIVMIPNLDLQ-UWTATZPHSA-N 0 0 181.079 1.828 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1ccoc1Cl 83277392 169264207 /nfs/dbraw/zinc/26/42/07/169264207.db2.gz MKAPZDHVPFOENQ-RXMQYKEDSA-N 0 0 189.598 1.408 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1cccc2ccoc12 82888960 169264269 /nfs/dbraw/zinc/26/42/69/169264269.db2.gz QTSKNZVXVHFQFL-QMMMGPOBSA-N 0 0 191.186 1.517 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1coc(Cl)c1 83272415 169264301 /nfs/dbraw/zinc/26/43/01/169264301.db2.gz QTIOUHOQTOGCCT-YFKPBYRVSA-N 0 0 175.571 1.017 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])c1ccc(O)cc1F 82911692 169264328 /nfs/dbraw/zinc/26/43/28/169264328.db2.gz LNNUJLPVAQAXLA-MRVPVSSYSA-N 0 0 199.181 1.006 10 0 ADAERN N[C@H](CCO)c1nc2ccccc2o1 40710814 169265119 /nfs/dbraw/zinc/26/51/19/169265119.db2.gz FRTKCCMPCJXPPR-SSDOTTSWSA-N 0 0 192.218 1.210 10 0 ADAERN [NH3+][C@H](CCc1ccccc1)[P@@H](=O)[O-] 29313434 169265273 /nfs/dbraw/zinc/26/52/73/169265273.db2.gz BFYOJKDRJIERJF-VIFPVBQESA-N 0 0 199.190 1.371 10 0 in-vivo ADAERN [NH3+][C@H](CCC(=O)[O-])C(F)=C(F)F 26646256 169265494 /nfs/dbraw/zinc/26/54/94/169265494.db2.gz GTQBDPMDXNFOPX-GSVOUGTGSA-N 0 0 183.129 1.256 10 0 ADAERN [NH3+][C@H](CCC(=O)[O-])c1cccc(F)c1 82909942 169265608 /nfs/dbraw/zinc/26/56/08/169265608.db2.gz AFOGEIPHDANNJG-SECBINFHSA-N 0 0 197.209 1.690 10 0 ADAERN [NH3+][C@H](CCC(=O)[O-])c1cccs1 20217154 169265744 /nfs/dbraw/zinc/26/57/44/169265744.db2.gz MQXVPVVZSNSGRU-ZCFIWIBFSA-N 0 0 185.248 1.613 10 0 ADAERN N[C@H](CO)c1nc2ccccc2s1 19435964 169266377 /nfs/dbraw/zinc/26/63/77/169266377.db2.gz KMQLZOLDUZDSFO-ZCFIWIBFSA-N 0 0 194.259 1.288 10 0 ADAERN N[C@H](Cc1ccco1)C(F)(F)F 51971813 169267597 /nfs/dbraw/zinc/26/75/97/169267597.db2.gz FVWAROBEPIKTFJ-ZCFIWIBFSA-N 0 0 179.141 1.712 10 0 ADAERN [NH3+][C@H](CSC1CCCC1)C(=O)[O-] 19436738 169267654 /nfs/dbraw/zinc/26/76/54/169267654.db2.gz LZFZTBCCYBIAMU-SSDOTTSWSA-N 0 0 189.280 1.074 10 0 ADAERN [NH3+][C@H](C[C@@H]1CCCO1)c1cnccn1 53819450 169268270 /nfs/dbraw/zinc/26/82/70/169268270.db2.gz MZCCGUTWAZLDHA-DTWKUNHWSA-N 0 0 193.250 1.046 10 0 ADAERN N[C@H](Cc1cccs1)c1nnco1 83342278 169268297 /nfs/dbraw/zinc/26/82/97/169268297.db2.gz CRGNPIARYZYILS-SSDOTTSWSA-N 0 0 195.247 1.374 10 0 ADAERN N[C@H](Cc1ccccc1)c1nnco1 19676442 169268406 /nfs/dbraw/zinc/26/84/06/169268406.db2.gz ZKFXTVIQAWKNSD-SECBINFHSA-N 0 0 189.218 1.312 10 0 ADAERN [NH3+][C@H](C[C@@H]1CCCO1)c1ccco1 54455854 169268713 /nfs/dbraw/zinc/26/87/13/169268713.db2.gz JVDAUVUIYPYVCR-DTWKUNHWSA-N 0 0 181.235 1.849 10 0 ADAERN [NH3+][C@H](C[C@@H]1CCCO1)c1cncnc1 52887011 169268838 /nfs/dbraw/zinc/26/88/38/169268838.db2.gz BNFWRDGATVTMMQ-VHSXEESVSA-N 0 0 193.250 1.046 10 0 ADAERN [NH3+][C@H](c1ccccc1)[P@@H](=O)[O-] 29326769 169269013 /nfs/dbraw/zinc/26/90/13/169269013.db2.gz JLTNHFQJNQZJTC-ZETCQYMHSA-N 0 0 171.136 1.111 10 0 ADAERN N[C@H](c1ccns1)C(F)(F)F 82395538 169269023 /nfs/dbraw/zinc/26/90/23/169269023.db2.gz BDIZUZCDQPBRRS-SCSAIBSYSA-N 0 0 182.170 1.705 10 0 ADAERN N[C@H](c1ccco1)[C@H](N)c1ccco1 34455239 169269029 /nfs/dbraw/zinc/26/90/29/169269029.db2.gz PMRJEHDCSFMKQJ-NXEZZACHSA-N 0 0 192.218 1.572 10 0 ADAERN [NH3+][C@H](c1ccccc1)C1N=CC([O-])=N1 105866471 169269043 /nfs/dbraw/zinc/26/90/43/169269043.db2.gz AVMZCIHPSWPREM-SECBINFHSA-N 0 0 189.218 1.163 10 0 ADAERN N[C@H](c1cscn1)c1ccco1 62356784 169269114 /nfs/dbraw/zinc/26/91/14/169269114.db2.gz VZGFJJIRUKUPRK-MRVPVSSYSA-N 0 0 180.232 1.784 10 0 ADAERN N[C@H](c1nnco1)C1CCCCC1 83340630 169269154 /nfs/dbraw/zinc/26/91/54/169269154.db2.gz JTNXPEAEMADYQK-QMMMGPOBSA-N 0 0 181.239 1.650 10 0 ADAERN N[C@H](c1cncnc1)c1ccco1 54446389 169269177 /nfs/dbraw/zinc/26/91/77/169269177.db2.gz OPDOULAOJAMZLA-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@H](c1ccccc1)c1nnco1 19676445 169269202 /nfs/dbraw/zinc/26/92/02/169269202.db2.gz AYUBTUXBTNQTHD-MRVPVSSYSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@H](c1ccco1)[C@@H](N)c1ccco1 34455238 169269264 /nfs/dbraw/zinc/26/92/64/169269264.db2.gz PMRJEHDCSFMKQJ-AOOOYVTPSA-N 0 0 192.218 1.572 10 0 ADAERN N[C@H](c1nnco1)C1CCCC1 83339875 169269334 /nfs/dbraw/zinc/26/93/34/169269334.db2.gz FCRTXDSSSFSMDM-ZETCQYMHSA-N 0 0 167.212 1.260 10 0 ADAERN N[C@H](c1cnccn1)c1cccs1 19932694 169269345 /nfs/dbraw/zinc/26/93/45/169269345.db2.gz YFSZZGNOEQCRGC-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@H](c1cncnc1)C(F)(F)F 82718531 169269354 /nfs/dbraw/zinc/26/93/54/169269354.db2.gz LDKFSYXALVOMNE-RXMQYKEDSA-N 0 0 177.129 1.039 10 0 ADAERN N[C@H](c1ccc(F)cc1)c1nnco1 83341888 169269358 /nfs/dbraw/zinc/26/93/58/169269358.db2.gz YUTORFZCKGVTAY-MRVPVSSYSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@H](c1cn[nH]c1)c1ccco1 62777219 169269361 /nfs/dbraw/zinc/26/93/61/169269361.db2.gz NYTDJGYLRRWHEG-MRVPVSSYSA-N 0 0 163.180 1.051 10 0 ADAERN N[C@H](c1cncc(F)c1)c1ccco1 54455901 169269364 /nfs/dbraw/zinc/26/93/64/169269364.db2.gz FFNCNIXAKQFFJK-SNVBAGLBSA-N 0 0 192.193 1.862 10 0 ADAERN N[C@H](c1cccnc1)c1ccco1 8699695 169269416 /nfs/dbraw/zinc/26/94/16/169269416.db2.gz WKSVYHARTZDFLJ-SNVBAGLBSA-N 0 0 174.203 1.723 10 0 ADAERN N[C@H](c1cccc(F)c1)c1nnco1 83341892 169269426 /nfs/dbraw/zinc/26/94/26/169269426.db2.gz KKOQRVNTODASGH-MRVPVSSYSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@H](c1nnc(C=O)o1)C1CCCC1 83342247 169269432 /nfs/dbraw/zinc/26/94/32/169269432.db2.gz IIOQNCVJWNNBRV-QMMMGPOBSA-N 0 0 195.222 1.072 10 0 ADAERN N[C@H](c1cc[nH]c1)C(F)(F)F 71495734 169269455 /nfs/dbraw/zinc/26/94/55/169269455.db2.gz LHTBNGDFLYZIQU-RXMQYKEDSA-N 0 0 164.130 1.577 10 0 ADAERN N[C@H](c1ccccn1)c1nccs1 19930131 169269515 /nfs/dbraw/zinc/26/95/15/169269515.db2.gz SQUUHQDUFWRUGE-MRVPVSSYSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@H](c1ccsc1)c1ncon1 36762032 169269521 /nfs/dbraw/zinc/26/95/21/169269521.db2.gz UAAXXDWGBCFCGJ-ZCFIWIBFSA-N 0 0 181.220 1.179 10 0 ADAERN N[C@H](c1ccncc1)c1nccs1 19930073 169269539 /nfs/dbraw/zinc/26/95/39/169269539.db2.gz NDNQTJNAUDDMIY-MRVPVSSYSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@H](c1ncon1)c1cccs1 41672972 169269570 /nfs/dbraw/zinc/26/95/70/169269570.db2.gz IZJBYDIUCBABFQ-LURJTMIESA-N 0 0 181.220 1.179 10 0 ADAERN N[C@H](c1ccco1)c1nccs1 11822555 169269573 /nfs/dbraw/zinc/26/95/73/169269573.db2.gz LLARDIMSZOYOHF-SSDOTTSWSA-N 0 0 180.232 1.784 10 0 ADAERN N[C@H](c1ncc[nH]1)c1ccccc1F 75872473 169269681 /nfs/dbraw/zinc/26/96/81/169269681.db2.gz BHXHHUKYKZDVMU-VIFPVBQESA-N 0 0 191.209 1.597 10 0 ADAERN N[C@H](c1ccccc1)c1ncno1 40454043 169269760 /nfs/dbraw/zinc/26/97/60/169269760.db2.gz ORORHGBCOQHHLC-MRVPVSSYSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@H](c1ncon1)c1ccccc1F 36762085 169269769 /nfs/dbraw/zinc/26/97/69/169269769.db2.gz ODDNELPNGOONFE-QMMMGPOBSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@H](c1ccoc1)c1ccco1 43606780 169269780 /nfs/dbraw/zinc/26/97/80/169269780.db2.gz SGSUKYYPBPGFKY-SECBINFHSA-N 0 0 163.176 1.921 10 0 ADAERN N[C@H](c1ccc[nH]1)c1ccco1 11822519 169269869 /nfs/dbraw/zinc/26/98/69/169269869.db2.gz FBJXCCSONOBEOT-SECBINFHSA-N 0 0 162.192 1.656 10 0 ADAERN N[C@H](c1ccncc1)c1ncco1 75871657 169269873 /nfs/dbraw/zinc/26/98/73/169269873.db2.gz ORLFOPKYGCXZKK-MRVPVSSYSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@H](c1nnco1)c1ccccc1F 83341889 169269888 /nfs/dbraw/zinc/26/98/88/169269888.db2.gz SRQNEBUTSLPQBV-QMMMGPOBSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@H]([C@@H]1CCCCC1=O)C(F)(F)F 21997875 169269923 /nfs/dbraw/zinc/26/99/23/169269923.db2.gz ANDMRDNGEUCPBL-IYSWYEEDSA-N 0 0 195.184 1.635 10 0 ADAERN N[C@H](c1ccc(F)cc1)c1ncon1 36762070 169270019 /nfs/dbraw/zinc/27/00/19/169270019.db2.gz YDOIWHNZPLLIFR-MRVPVSSYSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@H](c1cccc(O)c1)C(F)(F)F 38540733 169270051 /nfs/dbraw/zinc/27/00/51/169270051.db2.gz PPNJUQFYRVUHAM-SSDOTTSWSA-N 0 0 191.152 1.954 10 0 ADAERN N[C@H](c1ncno1)C1CCCCC1 40454135 169270104 /nfs/dbraw/zinc/27/01/04/169270104.db2.gz MMYOJTJCCQFTMO-QMMMGPOBSA-N 0 0 181.239 1.650 10 0 ADAERN N[C@H](c1ccncc1)c1ccco1 8699677 169270178 /nfs/dbraw/zinc/27/01/78/169270178.db2.gz GLPAEIVGZGTOBM-SNVBAGLBSA-N 0 0 174.203 1.723 10 0 ADAERN N[C@H]([C@H]1CCCCC1=O)C(F)(F)F 21997884 169270202 /nfs/dbraw/zinc/27/02/02/169270202.db2.gz ANDMRDNGEUCPBL-CAHLUQPWSA-N 0 0 195.184 1.635 10 0 ADAERN N[C@H](c1ccc2c(c1)CCO2)C(F)F 20475386 169270203 /nfs/dbraw/zinc/27/02/03/169270203.db2.gz IEOCXEFLWNBXHF-SECBINFHSA-N 0 0 199.200 1.886 10 0 ADAERN N[C@H](c1cccc(F)c1)c1ncon1 36762037 169270217 /nfs/dbraw/zinc/27/02/17/169270217.db2.gz DWMGGOAYFNKDAF-MRVPVSSYSA-N 0 0 193.181 1.257 10 0 ADAERN N[C@H](c1cccnc1)c1nccs1 19929960 169270220 /nfs/dbraw/zinc/27/02/20/169270220.db2.gz PKWRSSCISGGXEO-MRVPVSSYSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@H](c1ccccc1)c1ncco1 82529311 169270340 /nfs/dbraw/zinc/27/03/40/169270340.db2.gz PNTDTPUECVLIQT-SECBINFHSA-N 0 0 174.203 1.723 10 0 ADAERN [NH3+][C@H]1CCCCc2onc(C(=O)[O-])c21 82389935 169272045 /nfs/dbraw/zinc/27/20/45/169272045.db2.gz SFNGHMBMLGWMIX-YFKPBYRVSA-N 0 0 196.206 1.099 10 0 ADAERN [NH3+][C@H]1CCCC[C@H]1n1cc([O-])cn1 82395798 169272174 /nfs/dbraw/zinc/27/21/74/169272174.db2.gz JNCHMYDQKQMEKF-DTWKUNHWSA-N 0 0 181.239 1.031 10 0 ADAERN [NH3+][C@H]1CCCC[C@@H]1n1cc([O-])cn1 82395799 169272581 /nfs/dbraw/zinc/27/25/81/169272581.db2.gz JNCHMYDQKQMEKF-IUCAKERBSA-N 0 0 181.239 1.031 10 0 ADAERN [NH3+][C@H]1CCC[C@@H](n2cc([O-])cn2)C1 82395794 169273158 /nfs/dbraw/zinc/27/31/58/169273158.db2.gz VYLBXTQUYYTICY-JGVFFNPUSA-N 0 0 181.239 1.031 10 0 ADAERN [NH3+][C@H]1CCC[C@H](n2cc([O-])cn2)C1 82395795 169273274 /nfs/dbraw/zinc/27/32/74/169273274.db2.gz VYLBXTQUYYTICY-YUMQZZPRSA-N 0 0 181.239 1.031 10 0 ADAERN [NH3+][C@H]1CCC[S@](=O)c2ccccc21 40973390 169273359 /nfs/dbraw/zinc/27/33/59/169273359.db2.gz HVCOIYCQZFZBCC-TVQRCGJNSA-N 0 0 195.287 1.588 10 0 ADAERN [NH3+][C@H]1CCCc2ccccc2C1=O 43651347 169273457 /nfs/dbraw/zinc/27/34/57/169273457.db2.gz NEWVFTLSHKCAGF-JTQLQIEISA-N 0 0 175.231 1.533 10 0 ADAERN [NH3+][C@H]1CCC[S@@](=O)c2ccccc21 40973395 169273490 /nfs/dbraw/zinc/27/34/90/169273490.db2.gz HVCOIYCQZFZBCC-ZANVPECISA-N 0 0 195.287 1.588 10 0 ADAERN [NH3+][C@H]1CCCc2c1csc2C(=O)[O-] 82385055 169273602 /nfs/dbraw/zinc/27/36/02/169273602.db2.gz GFTGRXUJIVTGET-ZETCQYMHSA-N 0 0 197.259 1.782 10 0 ADAERN [NH3+][C@H]1CCCc2sc(C(=O)[O-])cc21 82326956 169274122 /nfs/dbraw/zinc/27/41/22/169274122.db2.gz CYSGLYBVCURHCO-LURJTMIESA-N 0 0 197.259 1.782 10 0 ADAERN [NH3+][C@H]1CCCc2scc(C(=O)[O-])c21 82385058 169274306 /nfs/dbraw/zinc/27/43/06/169274306.db2.gz ZTOLXRROFWPMJX-LURJTMIESA-N 0 0 197.259 1.782 10 0 ADAERN [NH3+][C@H]1CCOc2c(C(=O)[O-])cccc21 104677305 169274340 /nfs/dbraw/zinc/27/43/40/169274340.db2.gz QRJZDAQMJZIVIE-QMMMGPOBSA-N 0 0 193.202 1.167 10 0 ADAERN [NH3+][C@H]1CCCc2occ(C(=O)[O-])c21 82396109 169274364 /nfs/dbraw/zinc/27/43/64/169274364.db2.gz SFQHDXLUFRPYEN-LURJTMIESA-N 0 0 181.191 1.314 10 0 ADAERN [NH3+][C@H]1CCCc2oc(C(=O)[O-])cc21 82396167 169275151 /nfs/dbraw/zinc/27/51/51/169275151.db2.gz ZGPOLVOYNPODAP-LURJTMIESA-N 0 0 181.191 1.314 10 0 ADAERN [NH3+][C@H]1CCc2c1csc2C(=O)[O-] 82394085 169275909 /nfs/dbraw/zinc/27/59/09/169275909.db2.gz HIEAKDIZPMRGTA-LURJTMIESA-N 0 0 183.232 1.392 10 0 ADAERN [NH3+][C@H]1CCc2c(csc2C(=O)[O-])C1 82385071 169276269 /nfs/dbraw/zinc/27/62/69/169276269.db2.gz XAURKAQVIGOBPN-LURJTMIESA-N 0 0 197.259 1.262 10 0 ADAERN N[C@H]1COc2cc(Cl)ccc2C1=O 75068270 169276974 /nfs/dbraw/zinc/27/69/74/169276974.db2.gz DHQBREXGPYGWAA-ZETCQYMHSA-N 0 0 197.621 1.242 10 0 ADAERN [NH3+][C@H]1CCc2sc(C(=O)[O-])cc2C1 82385064 169277647 /nfs/dbraw/zinc/27/76/47/169277647.db2.gz WNECTBVRUGBYKG-LURJTMIESA-N 0 0 197.259 1.262 10 0 ADAERN [NH3+][C@H]1C[C@H](CC(=O)[O-])c2ccccc21 57937032 169277807 /nfs/dbraw/zinc/27/78/07/169277807.db2.gz GEEQQLMNMQDHDT-XCBNKYQSSA-N 0 0 191.230 1.648 10 0 ADAERN [NH3+][C@H]1C[C@H](C(=O)[O-])c2c(F)cccc21 57937491 169277859 /nfs/dbraw/zinc/27/78/59/169277859.db2.gz DGEYOKBUBQXIOM-XPUUQOCRSA-N 0 0 195.193 1.397 10 0 ADAERN N[C@H]1C[C@H](c2ccc(F)cc2)OC1=O 57937475 169277901 /nfs/dbraw/zinc/27/79/01/169277901.db2.gz WXPRCCWKMPPBNE-DTWKUNHWSA-N 0 0 195.193 1.141 10 0 ADAERN N[C@H]1C[C@@H](c2cccs2)OC1=O 57936420 169278013 /nfs/dbraw/zinc/27/80/13/169278013.db2.gz QANAPWFWMLKONA-WDSKDSINSA-N 0 0 183.232 1.063 10 0 ADAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])c2ccc(F)cc21 57937487 169278120 /nfs/dbraw/zinc/27/81/20/169278120.db2.gz DKJAMBFOIXLNLD-BDAKNGLRSA-N 0 0 195.193 1.397 10 0 ADAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])Cc2sccc21 39293994 169278151 /nfs/dbraw/zinc/27/81/51/169278151.db2.gz GGPHKGBPIYHFRJ-VDTYLAMSSA-N 0 0 197.259 1.395 10 0 ADAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])c2c(F)cccc21 57937489 169278204 /nfs/dbraw/zinc/27/82/04/169278204.db2.gz DGEYOKBUBQXIOM-SVRRBLITSA-N 0 0 195.193 1.397 10 0 ADAERN [NH3+][C@H]1C[C@H](C(=O)[O-])Cc2sccc21 39293990 169278362 /nfs/dbraw/zinc/27/83/62/169278362.db2.gz GGPHKGBPIYHFRJ-FSPLSTOPSA-N 0 0 197.259 1.395 10 0 ADAERN [NH3+][C@H]1C[C@@H](C(=O)[O-])Cc2ccccc21 32167269 169278434 /nfs/dbraw/zinc/27/84/34/169278434.db2.gz RKIPVJTYSNOLJY-WPRPVWTQSA-N 0 0 191.230 1.333 10 0 ADAERN N[C@H]1C[C@H](c2cccs2)OC1=O 57936422 169278438 /nfs/dbraw/zinc/27/84/38/169278438.db2.gz QANAPWFWMLKONA-NTSWFWBYSA-N 0 0 183.232 1.063 10 0 ADAERN [NH3+][C@H]1C[C@H](C(=O)[O-])Cc2ccccc21 32167275 169278533 /nfs/dbraw/zinc/27/85/33/169278533.db2.gz RKIPVJTYSNOLJY-SCZZXKLOSA-N 0 0 191.230 1.333 10 0 ADAERN [NH3+][C@H]1C[C@H](C(=O)[O-])c2ccc(F)cc21 57937482 169278576 /nfs/dbraw/zinc/27/85/76/169278576.db2.gz DKJAMBFOIXLNLD-IUCAKERBSA-N 0 0 195.193 1.397 10 0 ADAERN [NH3+][C@H]1C[C@@H](CC(=O)[O-])c2ccccc21 57937027 169278732 /nfs/dbraw/zinc/27/87/32/169278732.db2.gz GEEQQLMNMQDHDT-XVKPBYJWSA-N 0 0 191.230 1.648 10 0 ADAERN N[C@H]1C[C@@H](c2ccc(F)cc2)OC1=O 57937473 169278745 /nfs/dbraw/zinc/27/87/45/169278745.db2.gz WXPRCCWKMPPBNE-IUCAKERBSA-N 0 0 195.193 1.141 10 0 ADAERN N[C@H]1OC2=C3CC=CC=C3C=C[C@@H]2O1 45237492 169278908 /nfs/dbraw/zinc/27/89/08/169278908.db2.gz QHZZMEJFCAJCKS-GXSJLCMTSA-N 0 0 189.214 1.354 10 0 ADAERN N[C@H]1Cc2ccc(Cl)cc2C1=O 57936375 169279085 /nfs/dbraw/zinc/27/90/85/169279085.db2.gz KUCGNZDMJVUBIX-QMMMGPOBSA-N 0 0 181.622 1.406 10 0 ADAERN N[C@H]1OC2=C3CC=CC=C3C=C[C@H]2O1 45237490 169279156 /nfs/dbraw/zinc/27/91/56/169279156.db2.gz QHZZMEJFCAJCKS-MWLCHTKSSA-N 0 0 189.214 1.354 10 0 ADAERN N[C@H]1Nc2ccccc2S1 34227263 169279273 /nfs/dbraw/zinc/27/92/73/169279273.db2.gz PVOBHWZVXBTENP-ZETCQYMHSA-N 0 0 152.222 1.447 10 0 ADAERN N[C@H]1Oc2cc(F)ccc2S1 19943295 169279397 /nfs/dbraw/zinc/27/93/97/169279397.db2.gz BIUHNLBWMRFPCF-ZETCQYMHSA-N 0 0 171.196 1.553 10 0 ADAERN N[C@H]1N=Nc2nc3ccccc3nc21 64490567 169279666 /nfs/dbraw/zinc/27/96/66/169279666.db2.gz HNQOBXLEAKVVES-QMMMGPOBSA-N 0 0 185.190 1.684 10 0 ADAERN N[C@H]1N=Nc2cccc(F)c21 91366095 169279676 /nfs/dbraw/zinc/27/96/76/169279676.db2.gz CDMSPXYBLMOSOV-ZETCQYMHSA-N 0 0 151.144 1.880 10 0 ADAERN N[C@H]1N=Nc2cccnc21 39051585 169280049 /nfs/dbraw/zinc/28/00/49/169280049.db2.gz RZLALESOSDBMBJ-LURJTMIESA-N 0 0 134.142 1.136 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CC[C@H]2CCCC[C@H]2C1 247637351 169280387 /nfs/dbraw/zinc/28/03/87/169280387.db2.gz FCWXRPOXFQYJOG-WCABBAIRSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])C[C@H]2C[C@@H]1[C@@H]1CCC[C@@H]21 145090830 169280507 /nfs/dbraw/zinc/28/05/07/169280507.db2.gz UWCNBSOSTMTRND-WNPHYYBUSA-N 0 0 195.262 1.225 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCC[C@@H]2CCCC[C@@H]21 5202737 169280668 /nfs/dbraw/zinc/28/06/68/169280668.db2.gz OYOLNPDLMYVECC-ATZCPNFKSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12 100402504 169280771 /nfs/dbraw/zinc/28/07/71/169280771.db2.gz UWCNBSOSTMTRND-ZBGLXGBJSA-N 0 0 195.262 1.225 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CC[C@H]2CCCC[C@@H]2C1 26894933 169281297 /nfs/dbraw/zinc/28/12/97/169281297.db2.gz FCWXRPOXFQYJOG-FXPVBKGRSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCC[C@H]2CCCC[C@H]21 5202738 169281309 /nfs/dbraw/zinc/28/13/09/169281309.db2.gz OYOLNPDLMYVECC-FXPVBKGRSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CC[C@@H]2CCCC[C@H]2C1 37263066 169281314 /nfs/dbraw/zinc/28/13/14/169281314.db2.gz FCWXRPOXFQYJOG-ATZCPNFKSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CC[C@@H]2CCCC[C@@H]2C1 26894926 169281322 /nfs/dbraw/zinc/28/13/22/169281322.db2.gz FCWXRPOXFQYJOG-IQJOONFLSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCC[C@@H]2CCCC[C@H]21 5202736 169281353 /nfs/dbraw/zinc/28/13/53/169281353.db2.gz OYOLNPDLMYVECC-IQJOONFLSA-N 0 0 197.278 1.759 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCC[C@H]2CCCC[C@@H]21 5202739 169281745 /nfs/dbraw/zinc/28/17/45/169281745.db2.gz OYOLNPDLMYVECC-WCABBAIRSA-N 0 0 197.278 1.759 10 0 ADAERN N[C@]1(Cl)CCc2ccccc21 98089792 169282029 /nfs/dbraw/zinc/28/20/29/169282029.db2.gz ARYUBFXXBCWOBP-SECBINFHSA-N 0 0 167.639 1.983 10 0 ADAERN N[S@@](=O)c1ccc(Cl)s1 95081450 169282092 /nfs/dbraw/zinc/28/20/92/169282092.db2.gz KZFIDFNAAPDEPC-SECBINFHSA-N 0 0 181.669 1.383 10 0 ADAERN N[S@](=O)c1ccc(Cl)s1 95081449 169282101 /nfs/dbraw/zinc/28/21/01/169282101.db2.gz KZFIDFNAAPDEPC-VIFPVBQESA-N 0 0 181.669 1.383 10 0 ADAERN N[S@@](=O)C12CC3CC(CC(C3)C1)C2 38974131 169282104 /nfs/dbraw/zinc/28/21/04/169282104.db2.gz KTBSFNUZIBDNCL-PCPLELDZSA-N 0 0 199.319 1.578 10 0 ADAERN Nc1c(F)cncc1-c1ccncc1 47212361 169282332 /nfs/dbraw/zinc/28/23/32/169282332.db2.gz NRHMCSBCBYIJEY-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1c(O)ccc2ccc(O)cc12 62718711 169282350 /nfs/dbraw/zinc/28/23/50/169282350.db2.gz PCUYEKVNLXUILC-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1c(O)cccc1CC1CC1 95720489 169282368 /nfs/dbraw/zinc/28/23/68/169282368.db2.gz RXHJSXCCXNQUTM-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1c(F)cc(F)nc1Cl 299890448 169282374 /nfs/dbraw/zinc/28/23/74/169282374.db2.gz ZWOYQUPFDNPOOI-UHFFFAOYSA-N 0 0 164.542 1.595 10 0 ADAERN Nc1c(Cl)nc2ncccc2c1N 39292428 169282381 /nfs/dbraw/zinc/28/23/81/169282381.db2.gz HDGIGTIMNSIXIY-UHFFFAOYSA-N 0 0 194.625 1.448 10 0 ADAERN Nc1c(O)cncc1Cl 95773549 169282395 /nfs/dbraw/zinc/28/23/95/169282395.db2.gz XPGFZVAEYPVYAC-UHFFFAOYSA-N 0 0 144.561 1.023 10 0 ADAERN Nc1c(F)cc(F)c(O)c1F 145847152 169282400 /nfs/dbraw/zinc/28/24/00/169282400.db2.gz JRJOEUOVPLIHLU-UHFFFAOYSA-N 0 0 163.098 1.392 10 0 ADAERN Nc1c(-c2ccccc2)o[nH]c1=O 26264063 169282440 /nfs/dbraw/zinc/28/24/40/169282440.db2.gz UHQAFGSTVIJINQ-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Nc1c(Cl)cnn1Cc1ccco1 43665262 169282445 /nfs/dbraw/zinc/28/24/45/169282445.db2.gz SXJCDJUNYZVNLW-UHFFFAOYSA-N 0 0 197.625 1.760 10 0 ADAERN Nc1c(F)cncc1-c1cccnc1 47212359 169282448 /nfs/dbraw/zinc/28/24/48/169282448.db2.gz PNBGLPCIRGZAFJ-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1c(O)ccc2cc(O)ccc12 62718708 169282458 /nfs/dbraw/zinc/28/24/58/169282458.db2.gz RHLGJKIXMYTXIX-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1c(F)ccc(Cl)c1O 39128142 169282506 /nfs/dbraw/zinc/28/25/06/169282506.db2.gz XSTCIEBIZJDGAW-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN Nc1c(Cl)cncc1OC1CC1 95737434 169282510 /nfs/dbraw/zinc/28/25/10/169282510.db2.gz BWOFYGDIXJIQPF-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1c(F)cc(F)c2nc[nH]c12 1671382 169282516 /nfs/dbraw/zinc/28/25/16/169282516.db2.gz GNLVCEORRJUVOZ-UHFFFAOYSA-N 0 0 169.134 1.423 10 0 ADAERN Nc1c(O)ccc2scnc12 35344977 169282534 /nfs/dbraw/zinc/28/25/34/169282534.db2.gz JCXXHEPWNFGEAV-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN Nc1c(O)c(F)cc(F)c1F 39089027 169282541 /nfs/dbraw/zinc/28/25/41/169282541.db2.gz NNJHZWICFMKUOE-UHFFFAOYSA-N 0 0 163.098 1.392 10 0 ADAERN Nc1c(Cl)cnc2ncccc12 75569662 169282546 /nfs/dbraw/zinc/28/25/46/169282546.db2.gz WQKMEBVGBFBHNH-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1c(OC2CC2)ccnc1F 95737426 169282552 /nfs/dbraw/zinc/28/25/52/169282552.db2.gz VGKCFZWPCXBYNC-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1c2c(nc3ccccc13)CCC2=O 34192591 169282568 /nfs/dbraw/zinc/28/25/68/169282568.db2.gz LKWKQKKNFMIICA-UHFFFAOYSA-N 0 0 198.225 1.946 10 0 ADAERN Nc1c(F)cccc1SCCO 37420812 169282588 /nfs/dbraw/zinc/28/25/88/169282588.db2.gz FCOAQJXGORMMAG-UHFFFAOYSA-N 0 0 187.239 1.492 10 0 ADAERN Nc1c(F)cc(C=O)cc1F 39063097 169282602 /nfs/dbraw/zinc/28/26/02/169282602.db2.gz WSELIKSDSNNSTQ-UHFFFAOYSA-N 0 0 157.119 1.360 10 0 ADAERN Nc1c(Cl)nc(Cl)c(N)c1N 75581104 169282620 /nfs/dbraw/zinc/28/26/20/169282620.db2.gz WGVUOALKJAWAFE-UHFFFAOYSA-N 0 0 193.037 1.135 10 0 ADAERN Nc1c(F)ccc2ccncc12 82404894 169282647 /nfs/dbraw/zinc/28/26/47/169282647.db2.gz ZYSXSMNEQQKEKU-UHFFFAOYSA-N 0 0 162.167 1.956 10 0 ADAERN Nc1c(Cl)c[nH]c(=O)c1Cl 39435634 169282670 /nfs/dbraw/zinc/28/26/70/169282670.db2.gz BDUMSBSZPZADLU-UHFFFAOYSA-N 0 0 179.006 1.264 10 0 ADAERN Nc1c(Cl)ccnc1C=O 95773440 169282727 /nfs/dbraw/zinc/28/27/27/169282727.db2.gz RIRZWTOLIZKNQA-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1c(F)cccc1-n1ccnc1 37419912 169282752 /nfs/dbraw/zinc/28/27/52/169282752.db2.gz PNTGETHFKHVXNA-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1c(C2CCCCC2)[nH][nH]c1=O 8597 169282757 /nfs/dbraw/zinc/28/27/57/169282757.db2.gz WYBINTLEKOHCHN-UHFFFAOYSA-N 0 0 181.239 1.745 10 0 ADAERN Nc1c(O)ccc2occc12 82408705 169282761 /nfs/dbraw/zinc/28/27/61/169282761.db2.gz HJJKMSVINPQZJD-UHFFFAOYSA-N 0 0 149.149 1.721 10 0 ADAERN Nc1c(O)ccc2c(N)c(O)ccc12 62719818 169282815 /nfs/dbraw/zinc/28/28/15/169282815.db2.gz SOHGRTUCDJZJLB-UHFFFAOYSA-N 0 0 190.202 1.415 10 0 ADAERN Nc1c(O)cc2ccccc2c1N 62718601 169282831 /nfs/dbraw/zinc/28/28/31/169282831.db2.gz FHOYUXSZNZDURT-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1c(O)ccc2ccc(O)c(N)c12 62719821 169282833 /nfs/dbraw/zinc/28/28/33/169282833.db2.gz YAZXDBAVVLJDST-UHFFFAOYSA-N 0 0 190.202 1.415 10 0 ADAERN Nc1c2c(nc3ncccc13)CCC2 20217124 169282861 /nfs/dbraw/zinc/28/28/61/169282861.db2.gz UZPOVTYPAVYMGF-UHFFFAOYSA-N 0 0 185.230 1.701 10 0 ADAERN Nc1c(F)cccc1C(=O)NC1CC1 54205864 169282949 /nfs/dbraw/zinc/28/29/49/169282949.db2.gz KAPHXVBDHHFDAH-UHFFFAOYSA-N 0 0 194.209 1.300 10 0 ADAERN Nc1c(OC2CC2)ccnc1C=O 95741818 169282965 /nfs/dbraw/zinc/28/29/65/169282965.db2.gz JWFLMYIKRLMLJK-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1c(F)cncc1OC1CC1 95737424 169282977 /nfs/dbraw/zinc/28/29/77/169282977.db2.gz RVCIGHYZMYSVRI-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1c(O)ccc2c1CCC2 39048326 169282996 /nfs/dbraw/zinc/28/29/96/169282996.db2.gz XPVRISCNCGAMQR-UHFFFAOYSA-N 0 0 149.193 1.463 10 0 ADAERN Nc1c(F)cccc1OCCCO 37420367 169283039 /nfs/dbraw/zinc/28/30/39/169283039.db2.gz BOPBYQRWBMKGIE-UHFFFAOYSA-N 0 0 185.198 1.169 10 0 ADAERN Nc1c(O)c(N)c2ccccc2c1O 62719805 169283102 /nfs/dbraw/zinc/28/31/02/169283102.db2.gz HOHFTRFUFPDFFP-UHFFFAOYSA-N 0 0 190.202 1.415 10 0 ADAERN Nc1c(F)ccc2cnccc12 39088941 169283113 /nfs/dbraw/zinc/28/31/13/169283113.db2.gz XYUSNQJXESDQTO-UHFFFAOYSA-N 0 0 162.167 1.956 10 0 ADAERN Nc1c(O)ccc2c1CCCC2 39285056 169283124 /nfs/dbraw/zinc/28/31/24/169283124.db2.gz UTTGMGFDKHEFJY-UHFFFAOYSA-N 0 0 163.220 1.853 10 0 ADAERN Nc1c(Cl)cnn1CC1CC1 43665770 169283143 /nfs/dbraw/zinc/28/31/43/169283143.db2.gz BPBXXVJZDPSRHG-UHFFFAOYSA-N 0 0 171.631 1.529 10 0 ADAERN Nc1c(Br)[nH]ccc1=O 299890006 169283163 /nfs/dbraw/zinc/28/31/63/169283163.db2.gz SETDONGVMFHFNW-UHFFFAOYSA-N 0 0 189.012 1.132 10 0 ADAERN Nc1c2c(=O)[nH]cc-2[nH]c2ccccc12 89212330 169283168 /nfs/dbraw/zinc/28/31/68/169283168.db2.gz AKTJRRDENDVPEU-UHFFFAOYSA-N 0 0 199.213 1.060 10 0 ADAERN Nc1c(O)cccc1OCC1CC1 95727746 169283244 /nfs/dbraw/zinc/28/32/44/169283244.db2.gz PZZHYSDFUKXRNI-UHFFFAOYSA-N 0 0 179.219 1.763 10 0 ADAERN Nc1c(F)ccc2c1C(=O)OC2 39321165 169283250 /nfs/dbraw/zinc/28/32/50/169283250.db2.gz PEVWDDKTKQOEDL-UHFFFAOYSA-N 0 0 167.139 1.078 10 0 ADAERN Nc1c2c(c[nH]c1=S)CCC2 82402813 169283278 /nfs/dbraw/zinc/28/32/78/169283278.db2.gz JTMJCCUKLUSMQD-UHFFFAOYSA-N 0 0 166.249 1.815 10 0 ADAERN Nc1c(S)[nH]c(=S)[nH]c1=S 205054476 169283339 /nfs/dbraw/zinc/28/33/39/169283339.db2.gz PKPUMCRZCVIHLU-UHFFFAOYSA-N 0 0 191.306 1.673 10 0 ADAERN Nc1c(F)ccc2oc(=O)ccc12 75568970 169283346 /nfs/dbraw/zinc/28/33/46/169283346.db2.gz ATTJJDBGXWCBRN-UHFFFAOYSA-N 0 0 179.150 1.514 10 0 ADAERN Nc1c(Cl)ccnc1N1CCCC1 74378216 169283370 /nfs/dbraw/zinc/28/33/70/169283370.db2.gz XTDNSKAIKSATOY-UHFFFAOYSA-N 0 0 197.669 1.917 10 0 ADAERN Nc1c(Cl)ccc2nnsc12 39263162 169283383 /nfs/dbraw/zinc/28/33/83/169283383.db2.gz FAFBPBYNUILQMW-UHFFFAOYSA-N 0 0 185.639 1.927 10 0 ADAERN Nc1c(O)cc(O)c2ccccc12 62718683 169283453 /nfs/dbraw/zinc/28/34/53/169283453.db2.gz LHGYBZHGRIWDPP-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1c(N)c2ccccc2sc1=O 244326 169283455 /nfs/dbraw/zinc/28/34/55/169283455.db2.gz NNLVUNPVYAUDLH-UHFFFAOYSA-N 0 0 192.243 1.426 10 0 ADAERN Nc1c(Cl)ccc2nccn12 95929988 169283459 /nfs/dbraw/zinc/28/34/59/169283459.db2.gz SUROYTSTGJWUBL-UHFFFAOYSA-N 0 0 167.599 1.570 10 0 ADAERN Nc1c(O)ccc2[nH]ccc12 82408789 169283469 /nfs/dbraw/zinc/28/34/69/169283469.db2.gz QYXWBHNPVJWQEK-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN Nc1c(Cl)ncnc1NC1CCC1 62364438 169283473 /nfs/dbraw/zinc/28/34/73/169283473.db2.gz HFCMZRCKMLNSHT-UHFFFAOYSA-N 0 0 198.657 1.677 10 0 ADAERN Nc1c(F)cccc1NCCCO 37419528 169283499 /nfs/dbraw/zinc/28/34/99/169283499.db2.gz CMCAEFKLQWXSPA-UHFFFAOYSA-N 0 0 184.214 1.202 10 0 ADAERN Nc1cc(-c2ncno2)ccc1F 40454121 169283571 /nfs/dbraw/zinc/28/35/71/169283571.db2.gz YTFGOFSCQOFVCS-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Nc1cc(-c2ccc(Cl)nc2)[nH]n1 144707736 169283577 /nfs/dbraw/zinc/28/35/77/169283577.db2.gz GDHYWIABZMHIFQ-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1cc(-c2ccoc2)no1 20078678 169283638 /nfs/dbraw/zinc/28/36/38/169283638.db2.gz RXOUNOPGLKFTNV-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN Nc1c[nH]nc1-c1cc(F)ccc1F 42415073 169283670 /nfs/dbraw/zinc/28/36/70/169283670.db2.gz HORQCMXRNKGYTA-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN Nc1cc(-c2ncno2)c(F)cc1F 40454130 169283675 /nfs/dbraw/zinc/28/36/75/169283675.db2.gz LZAPYWWMWFBEMD-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1cc(-c2cc(F)ccc2N)[nH]n1 75880262 169283700 /nfs/dbraw/zinc/28/37/00/169283700.db2.gz DGFYXVITIYPBEG-UHFFFAOYSA-N 0 0 192.197 1.380 10 0 ADAERN Nc1cc(-c2cccs2)nc(N)n1 44263053 169283724 /nfs/dbraw/zinc/28/37/24/169283724.db2.gz ONGOFOASKBSIAI-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1cc(-c2csnn2)ccc1O 253568448 169283727 /nfs/dbraw/zinc/28/37/27/169283727.db2.gz LFTYMIPMIMLPMT-UHFFFAOYSA-N 0 0 193.231 1.493 10 0 ADAERN Nc1cc(-c2ccc(O)cc2F)[nH]n1 75879933 169283732 /nfs/dbraw/zinc/28/37/32/169283732.db2.gz HKWGBYXLTXAGJH-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN Nc1cc(-c2ccccc2)nc(=O)[nH]1 25491740 169283751 /nfs/dbraw/zinc/28/37/51/169283751.db2.gz ZBBJKFYIIRHYGM-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1c[nH]c(-c2ccccc2)n1 34412740 169283753 /nfs/dbraw/zinc/28/37/53/169283753.db2.gz MOJYDLJMKAMQDC-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 in-vitro ADAERN Nc1c[nH]nc1-c1cccc(F)c1 42415043 169283762 /nfs/dbraw/zinc/28/37/62/169283762.db2.gz AXRYYWFDMSTKRS-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Nc1cc(-c2ccccc2)cnc1N 95761182 169283763 /nfs/dbraw/zinc/28/37/63/169283763.db2.gz DLVXNVUHNUJYLC-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1cc(-c2ccco2)ccn1 44118891 169283768 /nfs/dbraw/zinc/28/37/68/169283768.db2.gz PWAJBHWIZUHTLG-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1cc(-c2ccncc2)cnc1F 47212357 169283782 /nfs/dbraw/zinc/28/37/82/169283782.db2.gz BQKJEIYOHLBXSD-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cc(=O)[nH]c(-c2cccs2)n1 20594171 169283803 /nfs/dbraw/zinc/28/38/03/169283803.db2.gz NGGRCRXDIRFBAS-UHFFFAOYSA-N 0 0 193.231 1.081 10 0 ADAERN Nc1cc(-c2nc[nH]n2)ccc1Cl 42040856 169283820 /nfs/dbraw/zinc/28/38/20/169283820.db2.gz BRLPVYAUPVMOQB-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1c[nH]c2ncc(Cl)c(F)c12 95936837 169283824 /nfs/dbraw/zinc/28/38/24/169283824.db2.gz AOTXEIQACILNKS-UHFFFAOYSA-N 0 0 185.589 1.938 10 0 ADAERN Nc1cc(-c2ccoc2)nc(Cl)n1 72193125 169283845 /nfs/dbraw/zinc/28/38/45/169283845.db2.gz HJQLSAWJJLSETF-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1cc(-c2ccoc2)ccn1 44120392 169283852 /nfs/dbraw/zinc/28/38/52/169283852.db2.gz AWTMICDNJMIDOL-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1cc(-n2cncn2)ccc1Cl 82655766 169283861 /nfs/dbraw/zinc/28/38/61/169283861.db2.gz LQAPTQKAUITGEP-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1c[nH]nc1-c1nc2ccccc2[nH]1 90588120 169283865 /nfs/dbraw/zinc/28/38/65/169283865.db2.gz CFJZRZITPXGWJK-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Nc1c[nH]c2cc3c(cc12)OCCO3 76634145 169283891 /nfs/dbraw/zinc/28/38/91/169283891.db2.gz CGYYVPDUPAAYKV-UHFFFAOYSA-N 0 0 190.202 1.521 10 0 ADAERN Nc1cc(-c2cccnc2)cnc1F 47212355 169283903 /nfs/dbraw/zinc/28/39/03/169283903.db2.gz FMAGCAQOWDTVKV-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cc(-c2c[nH]c(=S)[nH]2)ccn1 39407687 169283911 /nfs/dbraw/zinc/28/39/11/169283911.db2.gz HYLVCHUWYCTUIP-UHFFFAOYSA-N 0 0 192.247 1.716 10 0 ADAERN Nc1cc(-n2ccnc2)ccc1F 82398452 169283921 /nfs/dbraw/zinc/28/39/21/169283921.db2.gz UKWYHMAKEOUXDP-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1cc(-c2ccccc2N)[nH]n1 75879911 169283931 /nfs/dbraw/zinc/28/39/31/169283931.db2.gz SFGMFZHDMGBVFE-UHFFFAOYSA-N 0 0 174.207 1.241 10 0 ADAERN Nc1cc(-c2ccccc2)c(=O)[nH]n1 95602957 169283935 /nfs/dbraw/zinc/28/39/35/169283935.db2.gz YJGAKEQOUFXKBO-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1cc(-c2ccccc2O)on1 75566080 169283941 /nfs/dbraw/zinc/28/39/41/169283941.db2.gz CJAGUVMXORARSG-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Nc1cc(-c2ccco2)nc(Cl)n1 72193123 169283972 /nfs/dbraw/zinc/28/39/72/169283972.db2.gz WQXGOOKXSYNRNO-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1cc(=O)[nH]nc1-c1ccccc1 85436 169283992 /nfs/dbraw/zinc/28/39/92/169283992.db2.gz AFVPDOWETZELFZ-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1cc(-c2cncnc2)ccn1 44118762 169284036 /nfs/dbraw/zinc/28/40/36/169284036.db2.gz QYBZHDZJZMLYBA-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cc(-c2cc[nH]c2)on1 82522376 169284039 /nfs/dbraw/zinc/28/40/39/169284039.db2.gz FKFLCACSZFJHKV-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Nc1c[nH]c(C(=O)N2CCCCC2)c1 36861051 169284050 /nfs/dbraw/zinc/28/40/50/169284050.db2.gz DKPFFJKGIFYIQF-UHFFFAOYSA-N 0 0 193.250 1.223 10 0 ADAERN Nc1cc(-n2ccnn2)ccc1Cl 82655769 169284062 /nfs/dbraw/zinc/28/40/62/169284062.db2.gz QKIHAHMUIFWRLD-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cc(=O)[nH]c(C2CCCC2)n1 37996354 169284068 /nfs/dbraw/zinc/28/40/68/169284068.db2.gz NMEAZHHQTGKPNJ-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN Nc1cc(-c2nnco2)ccc1Cl 32009306 169284081 /nfs/dbraw/zinc/28/40/81/169284081.db2.gz MRULZHIHRYYDEJ-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1c[nH]c(=O)c(-c2ccccc2)c1 71499786 169284082 /nfs/dbraw/zinc/28/40/82/169284082.db2.gz UBNJWIUWTTWFAF-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1c[nH]c(C(=O)NCC2CCC2)c1 36862873 169284088 /nfs/dbraw/zinc/28/40/88/169284088.db2.gz UIBBBCVLTQNWSP-UHFFFAOYSA-N 0 0 193.250 1.127 10 0 ADAERN Nc1cc(-c2ccnc(N)c2)ccn1 39168702 169284090 /nfs/dbraw/zinc/28/40/90/169284090.db2.gz ZYRCSFAMFIQCHY-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1c[nH]c2ncc(F)c(F)c12 95936831 169284114 /nfs/dbraw/zinc/28/41/14/169284114.db2.gz UWFACSVBWAXADE-UHFFFAOYSA-N 0 0 169.134 1.423 10 0 ADAERN Nc1cc(-c2cccs2)nc(=O)[nH]1 41206186 169284127 /nfs/dbraw/zinc/28/41/27/169284127.db2.gz UJCMXLQFGWZJHR-UHFFFAOYSA-N 0 0 193.231 1.081 10 0 ADAERN Nc1cc(-c2cccnc2F)[nH]n1 75880020 169284131 /nfs/dbraw/zinc/28/41/31/169284131.db2.gz YSPRMYQQRUTJFL-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN Nc1c[nH]c2cc(O)ccc12 82408786 169284171 /nfs/dbraw/zinc/28/41/71/169284171.db2.gz UDFREACWEVWXBG-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN Nc1cc(-c2ccccn2)ccn1 44118731 169284172 /nfs/dbraw/zinc/28/41/72/169284172.db2.gz GEJUQAICLZPAQH-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN Nc1cc(-c2ncno2)ccc1Cl 40454008 169284190 /nfs/dbraw/zinc/28/41/90/169284190.db2.gz PGCZIMLFFASEKO-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1cc(-n2cccn2)ccc1F 82398456 169284191 /nfs/dbraw/zinc/28/41/91/169284191.db2.gz JWOOICVMGDIFNB-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1c2sscc-2[nH]c1=O 13351803 169284204 /nfs/dbraw/zinc/28/42/04/169284204.db2.gz JSZVYHFPIFBAHE-UHFFFAOYSA-N 0 0 172.234 1.185 10 0 ADAERN Nc1c[nH]c(C(=O)OC2CCC2)c1 52146487 169284226 /nfs/dbraw/zinc/28/42/26/169284226.db2.gz HFGUXYMHZJDSNK-UHFFFAOYSA-N 0 0 180.207 1.306 10 0 ADAERN Nc1cc(-c2c[nH]cn2)ccn1 39407691 169284237 /nfs/dbraw/zinc/28/42/37/169284237.db2.gz ZKOZWRBHSTYXHH-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1c[nH]nc1-c1ccc(F)c(F)c1 42415068 169284252 /nfs/dbraw/zinc/28/42/52/169284252.db2.gz SHKNKZTXZNVRJW-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN Nc1cc(-c2cnco2)cs1 107102640 169284263 /nfs/dbraw/zinc/28/42/63/169284263.db2.gz SRSXXWKKNMDFGX-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1c[nH]c(=O)c(-c2cccs2)c1 71506089 169284269 /nfs/dbraw/zinc/28/42/69/169284269.db2.gz ACJIUOYZWAYLDL-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN Nc1cc(-c2cc[nH]c2)ncn1 71495628 169284277 /nfs/dbraw/zinc/28/42/77/169284277.db2.gz KKROUUIJPUPGOD-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1cc(-c2cnco2)ccn1 82405154 169284283 /nfs/dbraw/zinc/28/42/83/169284283.db2.gz ZHTPUQGVKLKMPO-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cc(-c2ccncc2)cnc1N 39283842 169284311 /nfs/dbraw/zinc/28/43/11/169284311.db2.gz MGBFXCHIJVPISN-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1c[nH]c(C(=O)NC2CCCC2)c1 36860898 169284343 /nfs/dbraw/zinc/28/43/43/169284343.db2.gz RXFGABQSRQUPDZ-UHFFFAOYSA-N 0 0 193.250 1.269 10 0 ADAERN Nc1c[nH]nc1-c1cccc(F)c1F 75904606 169284358 /nfs/dbraw/zinc/28/43/58/169284358.db2.gz NERRPAWTKVHAFT-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN Nc1cc(-c2cc[nH]c2)no1 82522374 169284369 /nfs/dbraw/zinc/28/43/69/169284369.db2.gz KLHFWYZNVFEMBN-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Nc1cc(-c2ccc(O)c(F)c2)[nH]n1 75880260 169284374 /nfs/dbraw/zinc/28/43/74/169284374.db2.gz XSXLTMLMJWBPOW-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN Nc1c[nH]c(C(=O)OCC2CC2)c1 41046657 169284383 /nfs/dbraw/zinc/28/43/83/169284383.db2.gz VURJUWIGWCAJEC-UHFFFAOYSA-N 0 0 180.207 1.164 10 0 ADAERN Nc1cc(-c2nnc[nH]2)c(F)cc1F 42040786 169284387 /nfs/dbraw/zinc/28/43/87/169284387.db2.gz GVKFDKUSRNMELF-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN Nc1cc(=O)[nH]c(C2CCCCC2)n1 20594177 169284392 /nfs/dbraw/zinc/28/43/92/169284392.db2.gz UMEFTLSSOKWOPX-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN Nc1cc(-c2ccccc2)c[nH]c1=O 36379128 169284425 /nfs/dbraw/zinc/28/44/25/169284425.db2.gz JSSSQWQWNRHJCZ-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1cc(=O)[nH]c(-c2ccsc2)n1 37506562 169284476 /nfs/dbraw/zinc/28/44/76/169284476.db2.gz DYRUSKPGIKXGJV-UHFFFAOYSA-N 0 0 193.231 1.081 10 0 ADAERN Nc1c[nH]c2ccc(O)cc12 215768644 169284517 /nfs/dbraw/zinc/28/45/17/169284517.db2.gz JMMSWDMZPSUHJA-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN Nc1cc(-c2cccs2)c[nH]c1=O 41205868 169284568 /nfs/dbraw/zinc/28/45/68/169284568.db2.gz BKJJHNXZEGMTQI-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN Nc1c[nH]c2c(F)cccc12 19772508 169284596 /nfs/dbraw/zinc/28/45/96/169284596.db2.gz POJBJVADXWHBFR-UHFFFAOYSA-N 0 0 150.156 1.889 10 0 ADAERN Nc1c[nH]c(C(=O)OC2CCCC2)c1 41046694 169284599 /nfs/dbraw/zinc/28/45/99/169284599.db2.gz PALMXQADLKPLEK-UHFFFAOYSA-N 0 0 194.234 1.696 10 0 ADAERN Nc1cc(-c2ccco2)nc(=S)[nH]1 41206185 169284601 /nfs/dbraw/zinc/28/46/01/169284601.db2.gz JZYDGTRSIKNMGV-UHFFFAOYSA-N 0 0 193.231 1.981 10 0 ADAERN Nc1cc(C=O)c(Cl)cn1 95762148 169284625 /nfs/dbraw/zinc/28/46/25/169284625.db2.gz OWJCPTRYWPIAQF-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1cc(C(F)(F)F)[nH]c(=S)n1 8764205 169284670 /nfs/dbraw/zinc/28/46/70/169284670.db2.gz QFJODJRRUFIQDU-UHFFFAOYSA-N 0 0 195.169 1.366 10 0 ADAERN Nc1cc(C(F)(F)F)ns1 82402272 169284725 /nfs/dbraw/zinc/28/47/25/169284725.db2.gz ZCZHIQYIDNOURX-UHFFFAOYSA-N 0 0 168.143 1.744 10 0 ADAERN Nc1cc(C=O)ccc1OC1CC1 95741449 169284727 /nfs/dbraw/zinc/28/47/27/169284727.db2.gz LCNYXGYWACPWNJ-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1cc(Br)co1 107104137 169284746 /nfs/dbraw/zinc/28/47/46/169284746.db2.gz REVURKTUNCRVJP-UHFFFAOYSA-N 0 0 161.986 1.624 10 0 ADAERN Nc1cc(C2OCCO2)ccc1F 49805819 169284751 /nfs/dbraw/zinc/28/47/51/169284751.db2.gz PQLZTGCFWDYSKJ-UHFFFAOYSA-N 0 0 183.182 1.453 10 0 ADAERN Nc1cc(C2CC2)nc(Cl)n1 72193115 169284768 /nfs/dbraw/zinc/28/47/68/169284768.db2.gz SDFFEJKJGNGVTB-UHFFFAOYSA-N 0 0 169.615 1.590 10 0 ADAERN Nc1cc(CCc2cccs2)[nH]n1 41206284 169284792 /nfs/dbraw/zinc/28/47/92/169284792.db2.gz HRJKXZKEDBWBDV-UHFFFAOYSA-N 0 0 193.275 1.839 10 0 ADAERN Nc1cc(COc2ccccc2)[nH]n1 41204448 169284793 /nfs/dbraw/zinc/28/47/93/169284793.db2.gz CZOLQKMSWCMFCX-UHFFFAOYSA-N 0 0 189.218 1.571 10 0 ADAERN Nc1cc(C=O)ncc1OC1CC1 95741760 169284882 /nfs/dbraw/zinc/28/48/82/169284882.db2.gz DDBUZSFBSKAABJ-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cc(C2CCCC2)nc(CO)n1 62701318 169284914 /nfs/dbraw/zinc/28/49/14/169284914.db2.gz CNYXXRMVLDBUCU-UHFFFAOYSA-N 0 0 193.250 1.209 10 0 ADAERN Nc1cc(Cc2cnco2)ccc1F 83254699 169284959 /nfs/dbraw/zinc/28/49/59/169284959.db2.gz ZHAVRUSQUCJPNN-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1cc(C=O)ncc1Cl 95773556 169284999 /nfs/dbraw/zinc/28/49/99/169284999.db2.gz HMWKJGVKBQRELR-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1cc(C=O)ccc1OC(F)F 41203705 169285035 /nfs/dbraw/zinc/28/50/35/169285035.db2.gz AXFPTHMCJMVBQJ-UHFFFAOYSA-N 0 0 187.145 1.683 10 0 ADAERN Nc1cc(Cc2ccc(F)cc2)[nH]n1 41205161 169285037 /nfs/dbraw/zinc/28/50/37/169285037.db2.gz JFRADHLMZFBMHG-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN Nc1cc(CCc2cccnc2)no1 41204444 169285046 /nfs/dbraw/zinc/28/50/46/169285046.db2.gz LKWZSLUHKUUUIE-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN Nc1cc(Cc2ccc(F)cc2)no1 41205818 169285064 /nfs/dbraw/zinc/28/50/64/169285064.db2.gz FBQULORLAYWLFI-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1cc(=S)[nH][nH]c1=S 17426315 169285072 /nfs/dbraw/zinc/28/50/72/169285072.db2.gz OWEXCBHUXGFDSJ-UHFFFAOYSA-N 0 0 159.239 1.010 10 0 ADAERN Nc1cc(CC2CCCC2)on1 39113225 169285099 /nfs/dbraw/zinc/28/50/99/169285099.db2.gz LNMVKPKEWFRPRT-UHFFFAOYSA-N 0 0 166.224 1.990 10 0 ADAERN Nc1cc(CO)c(Cl)cc1F 34110323 169285100 /nfs/dbraw/zinc/28/51/00/169285100.db2.gz QEXZLRPDTPQYHC-UHFFFAOYSA-N 0 0 175.590 1.554 10 0 ADAERN Nc1cc(Br)c[nH]1 107104306 169285102 /nfs/dbraw/zinc/28/51/02/169285102.db2.gz SBLNWCNBFODXAF-UHFFFAOYSA-N 0 0 161.002 1.359 10 0 ADAERN Nc1cc(C=O)c(OC2CC2)cn1 95741350 169285104 /nfs/dbraw/zinc/28/51/04/169285104.db2.gz ZUOFXSAEQJCLMX-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cc(C(=O)c2ccccn2)c[nH]1 95616516 169285116 /nfs/dbraw/zinc/28/51/16/169285116.db2.gz GBMDEXUOFIQZBM-UHFFFAOYSA-N 0 0 187.202 1.223 10 0 ADAERN Nc1cc(C2(C(F)(F)F)CC2)on1 107264252 169285179 /nfs/dbraw/zinc/28/51/79/169285179.db2.gz TZEDIKKTUBFPMF-UHFFFAOYSA-N 0 0 192.140 1.851 10 0 in-vitro ADAERN Nc1cc(Cl)c(O)cn1 95773634 169285237 /nfs/dbraw/zinc/28/52/37/169285237.db2.gz KHDGLLSQHNZJOD-UHFFFAOYSA-N 0 0 144.561 1.023 10 0 ADAERN Nc1cc(C2OCCO2)ccc1Cl 49812082 169285275 /nfs/dbraw/zinc/28/52/75/169285275.db2.gz HVGUXQRQRUMVJF-UHFFFAOYSA-N 0 0 199.637 1.968 10 0 ADAERN Nc1cc(CCc2ccco2)[nH]n1 20385345 169285299 /nfs/dbraw/zinc/28/52/99/169285299.db2.gz GNFFJXCSDJQZGX-UHFFFAOYSA-N 0 0 177.207 1.370 10 0 ADAERN Nc1cc(C2OCCCO2)ccc1F 49811716 169285350 /nfs/dbraw/zinc/28/53/50/169285350.db2.gz IYVIYJVMFWVNSM-UHFFFAOYSA-N 0 0 197.209 1.843 10 0 ADAERN Nc1cc(CO)c2ccccc2n1 95627166 169285369 /nfs/dbraw/zinc/28/53/69/169285369.db2.gz JJIMUFJFSKVPES-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN Nc1cc(C(=O)C(F)(F)F)ccn1 95761289 169285374 /nfs/dbraw/zinc/28/53/74/169285374.db2.gz IWTVLAQSVHHMKI-UHFFFAOYSA-N 0 0 190.124 1.409 10 0 ADAERN Nc1cc(CF)ccc1NCCO 71791134 169285376 /nfs/dbraw/zinc/28/53/76/169285376.db2.gz CXWCNZPYORBLLQ-UHFFFAOYSA-N 0 0 184.214 1.143 10 0 ADAERN Nc1cc(CO)ccc1N1CCCC1 58825321 169285435 /nfs/dbraw/zinc/28/54/35/169285435.db2.gz YCQWBJBRZSODOL-UHFFFAOYSA-N 0 0 192.262 1.361 10 0 ADAERN Nc1cc(COCC2CC2)ccn1 52755226 169285447 /nfs/dbraw/zinc/28/54/47/169285447.db2.gz GHHKOEIZDHOGRZ-UHFFFAOYSA-N 0 0 178.235 1.590 10 0 ADAERN Nc1cc(Cl)c(OC2CC2)cn1 95737584 169285462 /nfs/dbraw/zinc/28/54/62/169285462.db2.gz SWWBLYUQCZDWMI-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cc(COC2CCC2)ccn1 52755583 169285466 /nfs/dbraw/zinc/28/54/66/169285466.db2.gz CXCDFLULTICUGA-UHFFFAOYSA-N 0 0 178.235 1.733 10 0 ADAERN Nc1cc(C2CCCCC2)[nH]c(=O)n1 41206241 169285526 /nfs/dbraw/zinc/28/55/26/169285526.db2.gz WDJOMQRZAQVYBL-UHFFFAOYSA-N 0 0 193.250 1.400 10 0 ADAERN Nc1cc(C2CC2)co1 103624522 169285531 /nfs/dbraw/zinc/28/55/31/169285531.db2.gz QNEHXHANTCHCNZ-UHFFFAOYSA-N 0 0 123.155 1.739 10 0 ADAERN Nc1cc(C=O)cc(OC2CC2)c1 95741348 169285551 /nfs/dbraw/zinc/28/55/51/169285551.db2.gz UAZJGAWYWQYHRI-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1cc(C=O)cnc1Cl 95642388 169285564 /nfs/dbraw/zinc/28/55/64/169285564.db2.gz IREQYSRKNPTADV-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1cc(Cl)c(O)cc1O 21303657 169285566 /nfs/dbraw/zinc/28/55/66/169285566.db2.gz JPPGGOHDJOHSAG-UHFFFAOYSA-N 0 0 159.572 1.333 10 0 ADAERN Nc1cc(C2CCC2)nc(Cl)n1 72193116 169285627 /nfs/dbraw/zinc/28/56/27/169285627.db2.gz IYLAJVPXPWRPMA-UHFFFAOYSA-N 0 0 183.642 1.980 10 0 ADAERN Nc1cc(Cc2ccccc2F)no1 41205817 169285643 /nfs/dbraw/zinc/28/56/43/169285643.db2.gz JQRCMSBICPAGTL-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1cc(CCc2cccnc2)[nH]n1 41204163 169285644 /nfs/dbraw/zinc/28/56/44/169285644.db2.gz FTZSGJUNSPDJRS-UHFFFAOYSA-N 0 0 188.234 1.172 10 0 ADAERN Nc1cc(C2CC2)[nH]c(=S)n1 41168146 169285646 /nfs/dbraw/zinc/28/56/46/169285646.db2.gz JRYXMEGDHREHAM-UHFFFAOYSA-N 0 0 167.237 1.599 10 0 ADAERN Nc1cc(Cc2ccccc2F)[nH]n1 41205160 169285678 /nfs/dbraw/zinc/28/56/78/169285678.db2.gz OBOVTZOXCOTMEX-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN Nc1cc(C=O)oc1Br 82390706 169285681 /nfs/dbraw/zinc/28/56/81/169285681.db2.gz GBIPNQIWOCNSEC-UHFFFAOYSA-N 0 0 189.996 1.437 10 0 ADAERN Nc1cc(CSCCO)ccc1O 36336003 169285691 /nfs/dbraw/zinc/28/56/91/169285691.db2.gz MAQYEIMLCDZAFE-UHFFFAOYSA-N 0 0 199.275 1.200 10 0 ADAERN Nc1cc(F)cc2c1OCCN2 62498566 169285733 /nfs/dbraw/zinc/28/57/33/169285733.db2.gz VOKKUMLFFNBSSR-UHFFFAOYSA-N 0 0 168.171 1.212 10 0 ADAERN Nc1cc(F)c2c(c1)CCN2 142408744 169285743 /nfs/dbraw/zinc/28/57/43/169285743.db2.gz LMFQOTDJHPERHZ-UHFFFAOYSA-N 0 0 152.172 1.376 10 0 ADAERN Nc1cc(Cl)cnc1N1CCCC1 82531149 169285772 /nfs/dbraw/zinc/28/57/72/169285772.db2.gz MBSJJKWZHDMHFG-UHFFFAOYSA-N 0 0 197.669 1.917 10 0 ADAERN Nc1cc(Cl)c2c(c1)C(=O)CCO2 82384759 169285782 /nfs/dbraw/zinc/28/57/82/169285782.db2.gz VIVQNAHCHXXWFU-UHFFFAOYSA-N 0 0 197.621 1.887 10 0 ADAERN Nc1cc(Cl)cc2[nH][nH]c(=O)c12 14983715 169285788 /nfs/dbraw/zinc/28/57/88/169285788.db2.gz IZUSNJDOSIPMLP-UHFFFAOYSA-N 0 0 183.598 1.504 10 0 ADAERN Nc1cc(F)cc2c1NCC2 39088503 169285792 /nfs/dbraw/zinc/28/57/92/169285792.db2.gz CFAGTKVTMVPZLC-UHFFFAOYSA-N 0 0 152.172 1.376 10 0 ADAERN Nc1cc(Cl)ccc1-c1ncno1 40454013 169285825 /nfs/dbraw/zinc/28/58/25/169285825.db2.gz ACJRULVBZABOGM-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1cc(F)c(F)cc1-c1nnco1 50036236 169285916 /nfs/dbraw/zinc/28/59/16/169285916.db2.gz WKSSAPMNVNTCPC-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1cc(Cl)c2n[nH]cc2c1 84326897 169285949 /nfs/dbraw/zinc/28/59/49/169285949.db2.gz GHGUYDCYHYGXJB-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Nc1cc(Cl)c2[nH]c(=O)ccc2c1 26499112 169285987 /nfs/dbraw/zinc/28/59/87/169285987.db2.gz GWRUKCZEKUAIBF-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN Nc1cc(Cl)cnc1NC1CC1 36226266 169286006 /nfs/dbraw/zinc/28/60/06/169286006.db2.gz LMVQBSPTBTZHQD-UHFFFAOYSA-N 0 0 183.642 1.892 10 0 ADAERN Nc1cc(Cl)c2c(c1)CC(=O)N2 75067807 169286008 /nfs/dbraw/zinc/28/60/08/169286008.db2.gz VMDAYPOMEFBRSJ-UHFFFAOYSA-N 0 0 182.610 1.417 10 0 ADAERN Nc1cc(Cl)nc2nc[nH]c12 20058563 169286042 /nfs/dbraw/zinc/28/60/42/169286042.db2.gz KOKAEQZKTBIBOQ-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN Nc1cc(Cl)cc2c1OCCC2=O 36142774 169286047 /nfs/dbraw/zinc/28/60/47/169286047.db2.gz METWIJNRXILAFO-UHFFFAOYSA-N 0 0 197.621 1.887 10 0 ADAERN Nc1cc(F)cc(NC2CC2)c1 37666662 169286057 /nfs/dbraw/zinc/28/60/57/169286057.db2.gz QYMZTIGFTJVMKE-UHFFFAOYSA-N 0 0 166.199 1.982 10 0 ADAERN Nc1cc(F)c2c(c1)C(=O)CCCO2 82386835 169286070 /nfs/dbraw/zinc/28/60/70/169286070.db2.gz KOUWCPNCCGGJIE-UHFFFAOYSA-N 0 0 195.193 1.763 10 0 ADAERN Nc1cc(F)cc2c1OCO2 39088623 169286073 /nfs/dbraw/zinc/28/60/73/169286073.db2.gz QACJVDIJYMNCMV-UHFFFAOYSA-N 0 0 155.128 1.137 10 0 ADAERN Nc1cc(F)c2c(C=O)n[nH]c2c1 14983881 169286075 /nfs/dbraw/zinc/28/60/75/169286075.db2.gz MYCRHMZZGACISB-UHFFFAOYSA-N 0 0 179.154 1.097 10 0 ADAERN Nc1cc(F)c(OC2CC2)cn1 95737573 169286081 /nfs/dbraw/zinc/28/60/81/169286081.db2.gz NRGTZBRTVMIDCE-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cc(Cl)cc2c1NCC2 82529159 169286112 /nfs/dbraw/zinc/28/61/12/169286112.db2.gz FYAXFTPGKUBPIZ-UHFFFAOYSA-N 0 0 168.627 1.890 10 0 ADAERN Nc1cc(F)cc2c1OCCC(=O)N2 62522116 169286127 /nfs/dbraw/zinc/28/61/27/169286127.db2.gz IERFDTLUJTXEMM-UHFFFAOYSA-N 0 0 196.181 1.129 10 0 ADAERN Nc1cc(F)ccc1N1CCOC1=O 20213190 169286129 /nfs/dbraw/zinc/28/61/29/169286129.db2.gz IDRBMXHQPZLONA-UHFFFAOYSA-N 0 0 196.181 1.365 10 0 ADAERN Nc1cc(Cl)ccc1-n1ccnn1 22148407 169286162 /nfs/dbraw/zinc/28/61/62/169286162.db2.gz DYEFPCOSEFFFLG-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cc(F)c(F)cc1-c1ncno1 61564018 169286192 /nfs/dbraw/zinc/28/61/92/169286192.db2.gz NULXSXZRWQODEF-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1cc(Cl)cc2c1OCCN2 62520360 169286203 /nfs/dbraw/zinc/28/62/03/169286203.db2.gz HFDIESNTJUNJHT-UHFFFAOYSA-N 0 0 184.626 1.727 10 0 ADAERN Nc1cc(Cl)c2c(C=O)n[nH]c2c1 14984251 169286208 /nfs/dbraw/zinc/28/62/08/169286208.db2.gz DNDIPGMXSBDMBU-UHFFFAOYSA-N 0 0 195.609 1.611 10 0 ADAERN Nc1cc(F)ccc1NCCCO 33607680 169286211 /nfs/dbraw/zinc/28/62/11/169286211.db2.gz WCBFEGBRVMJQBR-UHFFFAOYSA-N 0 0 184.214 1.202 10 0 ADAERN Nc1cc(Cl)ncc1OC1CC1 95737233 169286235 /nfs/dbraw/zinc/28/62/35/169286235.db2.gz CJYDPWQXJFHVRU-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cc(F)cc2ncoc12 41568753 169286243 /nfs/dbraw/zinc/28/62/43/169286243.db2.gz UJTNSFSWJXZMNV-UHFFFAOYSA-N 0 0 152.128 1.549 10 0 ADAERN Nc1cc(F)cc(NCCCO)c1 37667925 169286263 /nfs/dbraw/zinc/28/62/63/169286263.db2.gz UTEYOQVFNYGDPP-UHFFFAOYSA-N 0 0 184.214 1.202 10 0 ADAERN Nc1cc(Cl)cc2c1NC(=O)C2 71482933 169286285 /nfs/dbraw/zinc/28/62/85/169286285.db2.gz IQUDXSGAIKORKW-UHFFFAOYSA-N 0 0 182.610 1.417 10 0 ADAERN Nc1cc(F)c2c(c1)NC(=O)CCO2 62522122 169286297 /nfs/dbraw/zinc/28/62/97/169286297.db2.gz UOLZSNBNGXIZHF-UHFFFAOYSA-N 0 0 196.181 1.129 10 0 ADAERN Nc1cc(Cl)c2c(c1)C(=O)CCN2 82385437 169286304 /nfs/dbraw/zinc/28/63/04/169286304.db2.gz VBKCIQYSJKKOAZ-UHFFFAOYSA-N 0 0 196.637 1.921 10 0 ADAERN Nc1cc(F)ccc1OCCCO 34974053 169286310 /nfs/dbraw/zinc/28/63/10/169286310.db2.gz VIFRKVGTUFZJBB-UHFFFAOYSA-N 0 0 185.198 1.169 10 0 ADAERN Nc1cc(F)c(F)c(F)c1O 39089033 169286337 /nfs/dbraw/zinc/28/63/37/169286337.db2.gz VEPKZQHPDWUTBU-UHFFFAOYSA-N 0 0 163.098 1.392 10 0 ADAERN Nc1cc(F)ccc1-c1ncno1 40454057 169286354 /nfs/dbraw/zinc/28/63/54/169286354.db2.gz VDVWLVCKADSSRA-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Nc1cc(F)ccc1Cn1cccn1 82864592 169286374 /nfs/dbraw/zinc/28/63/74/169286374.db2.gz UBMAFBSWGYPYFM-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN Nc1cc(F)cc2[nH]nc(Cl)c12 14983896 169286384 /nfs/dbraw/zinc/28/63/84/169286384.db2.gz TZFDIZCCRQYRHS-UHFFFAOYSA-N 0 0 185.589 1.938 10 0 in-vitro ADAERN Nc1cc(Cl)ccc1NCCO 1726251 169286396 /nfs/dbraw/zinc/28/63/96/169286396.db2.gz KGHNFJKUGQWCLG-UHFFFAOYSA-N 0 0 186.642 1.326 10 0 ADAERN Nc1cc(Cl)ccc1-c1nc[nH]n1 42040871 169286399 /nfs/dbraw/zinc/28/63/99/169286399.db2.gz HPDBIRMLDZBPHV-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1cc(F)c2c(c1)C(=O)CCO2 82396177 169286409 /nfs/dbraw/zinc/28/64/09/169286409.db2.gz GDEUXGBXYKJAMZ-UHFFFAOYSA-N 0 0 181.166 1.373 10 0 ADAERN Nc1cc(Cl)c2oc(=O)[nH]c2c1 62520359 169286427 /nfs/dbraw/zinc/28/64/27/169286427.db2.gz GLNHLEPOIVXMQF-UHFFFAOYSA-N 0 0 184.582 1.357 10 0 ADAERN Nc1cc(F)c(-n2cncn2)c(F)c1 38040229 169286431 /nfs/dbraw/zinc/28/64/31/169286431.db2.gz WBCODSVSRJPXKB-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN Nc1cc(F)ccc1OCCCCO 52065071 169286460 /nfs/dbraw/zinc/28/64/60/169286460.db2.gz YKIGHFVBKCWWNN-UHFFFAOYSA-N 0 0 199.225 1.559 10 0 ADAERN Nc1cc(F)cc2c1OCCCC2=O 82386831 169286473 /nfs/dbraw/zinc/28/64/73/169286473.db2.gz PECYSOZLUHTXKZ-UHFFFAOYSA-N 0 0 195.193 1.763 10 0 ADAERN Nc1cc(Cl)ccc1CCO 36438059 169286487 /nfs/dbraw/zinc/28/64/87/169286487.db2.gz NDWMORLZPSRRKM-UHFFFAOYSA-N 0 0 171.627 1.457 10 0 in-vitro ADAERN Nc1cc(Cl)cc(CO)c1O 40545072 169286528 /nfs/dbraw/zinc/28/65/28/169286528.db2.gz BRNDMCVJOCSGDB-UHFFFAOYSA-N 0 0 173.599 1.120 10 0 ADAERN Nc1cc(Cl)[nH]c(=S)n1 38978289 169286534 /nfs/dbraw/zinc/28/65/34/169286534.db2.gz FXUDMQXADIQKFJ-UHFFFAOYSA-N 0 0 161.617 1.375 10 0 ADAERN Nc1cc(F)ccc1ON=O 211709175 169286540 /nfs/dbraw/zinc/28/65/40/169286540.db2.gz VRJKGJFRGPBKBL-UHFFFAOYSA-N 0 0 156.116 1.468 10 0 ADAERN Nc1cc(Cl)c2c(c1)NCCO2 62520365 169286543 /nfs/dbraw/zinc/28/65/43/169286543.db2.gz PESCJQQMUXFQKB-UHFFFAOYSA-N 0 0 184.626 1.727 10 0 ADAERN Nc1cc(F)c2n[nH]cc2c1 89196636 169286546 /nfs/dbraw/zinc/28/65/46/169286546.db2.gz UTMPXPRCSDSDOK-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Nc1cc(F)cc(Cl)n1 95768781 169286550 /nfs/dbraw/zinc/28/65/50/169286550.db2.gz CYBOTGMDBCGDMS-UHFFFAOYSA-N 0 0 146.552 1.456 10 0 ADAERN Nc1cc(Cl)c2c(c1)COCO2 59306754 169286553 /nfs/dbraw/zinc/28/65/53/169286553.db2.gz RCMSMHWLOKAUJJ-UHFFFAOYSA-N 0 0 185.610 1.789 10 0 ADAERN Nc1cc(F)cc(N)c1F 34190792 169286558 /nfs/dbraw/zinc/28/65/58/169286558.db2.gz OXQYQVUUXNUPOS-UHFFFAOYSA-N 0 0 144.124 1.129 10 0 ADAERN Nc1cc(F)c(F)cc1-c1nc[nH]n1 61564112 169286576 /nfs/dbraw/zinc/28/65/76/169286576.db2.gz ZQPOICDEQUBWNT-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN Nc1cc(F)c2ccccc2n1 39088969 169286578 /nfs/dbraw/zinc/28/65/78/169286578.db2.gz CHNLDRRBQFLLKR-UHFFFAOYSA-N 0 0 162.167 1.956 10 0 ADAERN Nc1cc(Cl)cnc1C=O 95773422 169286580 /nfs/dbraw/zinc/28/65/80/169286580.db2.gz LMHRTEXKRMMGDZ-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1cc(F)ccc1-c1nc[nH]n1 42041000 169286592 /nfs/dbraw/zinc/28/65/92/169286592.db2.gz AYKGTAIGRDXWDS-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN Nc1cc(F)c2c(c1)NCCO2 62498567 169286595 /nfs/dbraw/zinc/28/65/95/169286595.db2.gz QNKQXNBUBNSOTP-UHFFFAOYSA-N 0 0 168.171 1.212 10 0 ADAERN Nc1cc(Cl)ccc1-c1nnco1 19515283 169286621 /nfs/dbraw/zinc/28/66/21/169286621.db2.gz CEHDGLMWOCRSPD-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1cc(Cl)c2c(c1)C(=O)OC2 39321079 169286622 /nfs/dbraw/zinc/28/66/22/169286622.db2.gz NHDNNHBYTLUIJM-UHFFFAOYSA-N 0 0 183.594 1.593 10 0 ADAERN Nc1cc(F)cc(SCCO)c1 37668204 169286639 /nfs/dbraw/zinc/28/66/39/169286639.db2.gz ANTVCVWRFHGAFV-UHFFFAOYSA-N 0 0 187.239 1.492 10 0 ADAERN Nc1cc(F)c2c(c1)CCCO2 82402643 169286645 /nfs/dbraw/zinc/28/66/45/169286645.db2.gz NTTZTXDFIYNSBU-UHFFFAOYSA-N 0 0 167.183 1.733 10 0 ADAERN Nc1cc(F)cc2[nH]nc(C=O)c12 14983895 169286656 /nfs/dbraw/zinc/28/66/56/169286656.db2.gz KANGMDWNQBJCDF-UHFFFAOYSA-N 0 0 179.154 1.097 10 0 ADAERN Nc1cc(Cl)ccc1OCCO 19966566 169286657 /nfs/dbraw/zinc/28/66/57/169286657.db2.gz ZBRZYIHPBZPHJY-UHFFFAOYSA-N 0 0 187.626 1.293 10 0 ADAERN Nc1cc(F)c(-n2cccn2)c(F)c1 38040230 169286667 /nfs/dbraw/zinc/28/66/67/169286667.db2.gz SWPJOOGSEQGCTN-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1cc(F)cc2c1OCCC2=O 36142723 169286670 /nfs/dbraw/zinc/28/66/70/169286670.db2.gz LKQFQMPUUDYMIK-UHFFFAOYSA-N 0 0 181.166 1.373 10 0 ADAERN Nc1cc([C@@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 42175160 169286789 /nfs/dbraw/zinc/28/67/89/169286789.db2.gz PAMCIAXKZJPQRO-XLPZGREQSA-N 0 0 177.251 1.896 10 0 ADAERN Nc1cc(OC2CC2)cnc1C=O 95741779 169286793 /nfs/dbraw/zinc/28/67/93/169286793.db2.gz MMGKPPXCZMOGGP-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cc(N)c2c(N)cccc2c1O 62719741 169286817 /nfs/dbraw/zinc/28/68/17/169286817.db2.gz SDNCVVVCECHSKF-UHFFFAOYSA-N 0 0 189.218 1.292 10 0 ADAERN Nc1cc(N)c2c(c1)CCCC(=O)N2 72204041 169286878 /nfs/dbraw/zinc/28/68/78/169286878.db2.gz JNWZDWVWFCDQJN-UHFFFAOYSA-N 0 0 191.234 1.126 10 0 ADAERN Nc1cc(OC2CC2)cc(F)n1 95737372 169286897 /nfs/dbraw/zinc/28/68/97/169286897.db2.gz NINCCNGEZDBDPL-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cc(N)c2cc(N)cc(N)c2c1 34080142 169286956 /nfs/dbraw/zinc/28/69/56/169286956.db2.gz MMYAKEBPEHWRLY-UHFFFAOYSA-N 0 0 188.234 1.169 10 0 ADAERN Nc1cc(O)cc(OCC2CC2)c1 95723873 169286958 /nfs/dbraw/zinc/28/69/58/169286958.db2.gz MYMPSIKGZYLKGB-UHFFFAOYSA-N 0 0 179.219 1.763 10 0 ADAERN Nc1cc(N)c2ccccc2c1O 37637059 169286961 /nfs/dbraw/zinc/28/69/61/169286961.db2.gz SGEHDRMRHWBHLE-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1cc(F)cnc1-c1ccncc1 47212353 169287005 /nfs/dbraw/zinc/28/70/05/169287005.db2.gz RWPMWIQRGAYLBP-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cc(N)c2c(N)cccc2c1 62718504 169287013 /nfs/dbraw/zinc/28/70/13/169287013.db2.gz KSLVQJMOZOWIJG-UHFFFAOYSA-N 0 0 173.219 1.586 10 0 ADAERN Nc1cc(O)cc2c1OCCCC2 82397220 169287040 /nfs/dbraw/zinc/28/70/40/169287040.db2.gz VWZLAXSEGVSXMD-UHFFFAOYSA-N 0 0 179.219 1.690 10 0 ADAERN Nc1cc(O)c(N)c2ccccc12 62718591 169287068 /nfs/dbraw/zinc/28/70/68/169287068.db2.gz LHOJPPBMAVBPPB-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1cc(N)c2ccc[nH+]c2c1[S-] 90598103 169287100 /nfs/dbraw/zinc/28/71/00/169287100.db2.gz RUNSKQAQWHTJPH-UHFFFAOYSA-N 0 0 191.259 1.688 10 0 ADAERN Nc1cc(O)cc2[nH]ccc12 14983761 169287110 /nfs/dbraw/zinc/28/71/10/169287110.db2.gz AAPFMKZTCUJSJC-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN Nc1cc(=O)cc2[nH]cccc1-2 104822687 169287137 /nfs/dbraw/zinc/28/71/37/169287137.db2.gz VBEZOBVUOSTXHE-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 ADAERN Nc1cc(N)n(-c2cccc(F)c2)n1 49668405 169287193 /nfs/dbraw/zinc/28/71/93/169287193.db2.gz XZNFMECQDDUXEN-UHFFFAOYSA-N 0 0 192.197 1.176 10 0 ADAERN Nc1cc(F)ncc1OC1CC1 95737215 169287208 /nfs/dbraw/zinc/28/72/08/169287208.db2.gz VLCMBVUYSQEWLF-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cc(Oc2ccccc2)n[nH]1 75565223 169287215 /nfs/dbraw/zinc/28/72/15/169287215.db2.gz GRYKWCPGYXKUAC-UHFFFAOYSA-N 0 0 175.191 1.784 10 0 ADAERN Nc1cc(N)n(-c2ccccc2F)n1 40907127 169287287 /nfs/dbraw/zinc/28/72/87/169287287.db2.gz DNWWAKDGCVRURJ-UHFFFAOYSA-N 0 0 192.197 1.176 10 0 ADAERN Nc1cc(OC2CC2)ccc1C=O 95741477 169287335 /nfs/dbraw/zinc/28/73/35/169287335.db2.gz QOIGSAUTQGNUBM-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1cc(OC2CC2)ccc1F 95734230 169287338 /nfs/dbraw/zinc/28/73/38/169287338.db2.gz JAHSRHPXSSGBFL-UHFFFAOYSA-N 0 0 167.183 1.949 10 0 ADAERN Nc1cc(=O)n(-c2cccc(F)c2)[nH]1 105866792 169287359 /nfs/dbraw/zinc/28/73/59/169287359.db2.gz XEXKEDIRPOQHQK-UHFFFAOYSA-N 0 0 193.181 1.299 10 0 ADAERN Nc1cc(OC2CC2)c(Cl)cn1 95737409 169287392 /nfs/dbraw/zinc/28/73/92/169287392.db2.gz NTQIXTOFRURDSS-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cc(O)c2c(c1)C(=O)CCCO2 82388395 169287420 /nfs/dbraw/zinc/28/74/20/169287420.db2.gz IWEYJHFTNZFLSW-UHFFFAOYSA-N 0 0 193.202 1.330 10 0 ADAERN Nc1cc(O)cc2c1SCCC2=O 82386523 169287421 /nfs/dbraw/zinc/28/74/21/169287421.db2.gz YBZLCCBARILHHO-UHFFFAOYSA-N 0 0 195.243 1.653 10 0 ADAERN Nc1cc(N)c2cccc(O)c2c1O 62719810 169287424 /nfs/dbraw/zinc/28/74/24/169287424.db2.gz DLEMPSMCRLMJKH-UHFFFAOYSA-N 0 0 190.202 1.415 10 0 ADAERN Nc1cc(O)cc2ccoc12 62498460 169287444 /nfs/dbraw/zinc/28/74/44/169287444.db2.gz ZUKPQRDOSGNMHC-UHFFFAOYSA-N 0 0 149.149 1.721 10 0 ADAERN Nc1cc([C@@H]2CCCO2)ccn1 72193271 169287447 /nfs/dbraw/zinc/28/74/47/169287447.db2.gz CTIMBQWZPALUJI-QMMMGPOBSA-N 0 0 164.208 1.515 10 0 ADAERN Nc1cc(O)c(F)c(F)c1F 39128093 169287466 /nfs/dbraw/zinc/28/74/66/169287466.db2.gz YASSNYOFEPDUIM-UHFFFAOYSA-N 0 0 163.098 1.392 10 0 ADAERN Nc1cc(N)n(Cc2ccccc2)n1 40907126 169287496 /nfs/dbraw/zinc/28/74/96/169287496.db2.gz STKDGBFQMAXRSV-UHFFFAOYSA-N 0 0 188.234 1.096 10 0 ADAERN Nc1cc(=O)[nH]n1Cc1ccccc1 19877604 169287510 /nfs/dbraw/zinc/28/75/10/169287510.db2.gz SLCCUHHBFAKKAT-UHFFFAOYSA-N 0 0 189.218 1.219 10 0 ADAERN Nc1cc(N)n(C2CCCCCC2)n1 40928737 169287515 /nfs/dbraw/zinc/28/75/15/169287515.db2.gz KBUQGKNUYWVWDM-UHFFFAOYSA-N 0 0 194.282 1.943 10 0 ADAERN Nc1cc(N)n(C2CCCCC2)n1 40928388 169287533 /nfs/dbraw/zinc/28/75/33/169287533.db2.gz KAAHCFVOMJGQSC-UHFFFAOYSA-N 0 0 180.255 1.553 10 0 ADAERN Nc1cc([C@H]2CCCOC2)no1 62238155 169287584 /nfs/dbraw/zinc/28/75/84/169287584.db2.gz XJQHRIJPQDJSQW-LURJTMIESA-N 0 0 168.196 1.151 10 0 ADAERN Nc1cc([C@H]2CCCO2)ccn1 72193272 169287627 /nfs/dbraw/zinc/28/76/27/169287627.db2.gz CTIMBQWZPALUJI-MRVPVSSYSA-N 0 0 164.208 1.515 10 0 ADAERN Nc1cc(N)c(O)c(Cl)c1 39125605 169287632 /nfs/dbraw/zinc/28/76/32/169287632.db2.gz AQJBLNAGBSEMDU-UHFFFAOYSA-N 0 0 158.588 1.210 10 0 ADAERN Nc1cc(=O)n(-c2ccc(F)cc2)[nH]1 105866789 169287679 /nfs/dbraw/zinc/28/76/79/169287679.db2.gz HSNSRIRCFAUKQF-UHFFFAOYSA-N 0 0 193.181 1.299 10 0 ADAERN Nc1cc(O)cc2c1OCCCC2=O 82388417 169287681 /nfs/dbraw/zinc/28/76/81/169287681.db2.gz SZKVGBSTPPZMEI-UHFFFAOYSA-N 0 0 193.202 1.330 10 0 ADAERN Nc1cc(O)ccc1CC1CC1 95720532 169287684 /nfs/dbraw/zinc/28/76/84/169287684.db2.gz VMGBZAYZOOKPOK-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1cc(O)c2ccccc2c1N 62718573 169287688 /nfs/dbraw/zinc/28/76/88/169287688.db2.gz NKKWIXRCHJOZBF-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1cc(N)c2ccoc2c1 90598098 169287690 /nfs/dbraw/zinc/28/76/90/169287690.db2.gz HFVOMTWTNZIGRD-UHFFFAOYSA-N 0 0 148.165 1.597 10 0 ADAERN Nc1cc(F)cnc1-c1cccnc1 47212351 169287701 /nfs/dbraw/zinc/28/77/01/169287701.db2.gz OMLNWJGOLQNYPL-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cc([C@H]2C[C@H]3CC[C@@H]2C3)[nH]n1 42175162 169287714 /nfs/dbraw/zinc/28/77/14/169287714.db2.gz PAMCIAXKZJPQRO-RNJXMRFFSA-N 0 0 177.251 1.896 10 0 ADAERN Nc1cc(OC2CC2)cc(Cl)n1 95737381 169287722 /nfs/dbraw/zinc/28/77/22/169287722.db2.gz IKEDIWGSTMPGHH-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cc([C@@H]2CCCOC2)ccn1 44122083 169287730 /nfs/dbraw/zinc/28/77/30/169287730.db2.gz ZPMATWRNMQMPAU-SECBINFHSA-N 0 0 178.235 1.558 10 0 ADAERN Nc1cc(OCC2CC2)ccc1O 95724226 169287740 /nfs/dbraw/zinc/28/77/40/169287740.db2.gz HAQQDHNMZPYIQV-UHFFFAOYSA-N 0 0 179.219 1.763 10 0 ADAERN Nc1cc(O)c2cc[nH]c2c1 14983283 169287748 /nfs/dbraw/zinc/28/77/48/169287748.db2.gz QCQWXAVDEPECFJ-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN Nc1cc(F)ccc1SCCO 37194635 169287783 /nfs/dbraw/zinc/28/77/83/169287783.db2.gz GHLXFLXDKVUVMY-UHFFFAOYSA-N 0 0 187.239 1.492 10 0 ADAERN Nc1cc(O)ccc1OCC1CC1 95724252 169287784 /nfs/dbraw/zinc/28/77/84/169287784.db2.gz WMWNNHFBTODQPB-UHFFFAOYSA-N 0 0 179.219 1.763 10 0 ADAERN Nc1cc(N)c2c(N)ccc(N)c2c1 62719667 169287791 /nfs/dbraw/zinc/28/77/91/169287791.db2.gz NZVFZLARCLKBMQ-UHFFFAOYSA-N 0 0 188.234 1.169 10 0 ADAERN Nc1cc(O)cc2c1CCC2 39048386 169287796 /nfs/dbraw/zinc/28/77/96/169287796.db2.gz ABOKCEDAEDDQCD-UHFFFAOYSA-N 0 0 149.193 1.463 10 0 ADAERN Nc1cc(N)c2c(N)cc(N)cc2c1 62719664 169287801 /nfs/dbraw/zinc/28/78/01/169287801.db2.gz LKCCTRAXXYDAGD-UHFFFAOYSA-N 0 0 188.234 1.169 10 0 ADAERN Nc1cc([C@@H]2CCSC2)ccn1 72193289 169287823 /nfs/dbraw/zinc/28/78/23/169287823.db2.gz CHMOPFNEXPEZIM-MRVPVSSYSA-N 0 0 180.276 1.884 10 0 ADAERN Nc1cc(O)ccc1C(F)(F)F 34768523 169287827 /nfs/dbraw/zinc/28/78/27/169287827.db2.gz XHGNKLZHRNUBEV-UHFFFAOYSA-N 0 0 177.125 1.993 10 0 ADAERN Nc1cc(O)c2ccccc2c1O 34040875 169287829 /nfs/dbraw/zinc/28/78/29/169287829.db2.gz ZSSKPZAMFNKWIY-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1cc(OC2CC2)cc(C=O)n1 95741694 169287835 /nfs/dbraw/zinc/28/78/35/169287835.db2.gz DYSLFFLFAZZNPT-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cc(O)c2c(c1)C(=O)CCS2 82386522 169287844 /nfs/dbraw/zinc/28/78/44/169287844.db2.gz SMNAVTFFNKAKJX-UHFFFAOYSA-N 0 0 195.243 1.653 10 0 ADAERN Nc1cc(=O)n(-c2ccccc2F)[nH]1 105694807 169287860 /nfs/dbraw/zinc/28/78/60/169287860.db2.gz OGLDTVKTGNMCDF-UHFFFAOYSA-N 0 0 193.181 1.299 10 0 ADAERN Nc1cc(N)c2c(c1)OCCCCO2 34439209 169287896 /nfs/dbraw/zinc/28/78/96/169287896.db2.gz KBMNINMTJBXCEV-UHFFFAOYSA-N 0 0 194.234 1.402 10 0 ADAERN Nc1cc(OC2CC2)c(F)cn1 95737389 169287898 /nfs/dbraw/zinc/28/78/98/169287898.db2.gz MBZGNEIGNYYDQL-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cc(O)cc2c1OCCC2 82403561 169287910 /nfs/dbraw/zinc/28/79/10/169287910.db2.gz YMSVDFONAQIQGZ-UHFFFAOYSA-N 0 0 165.192 1.299 10 0 ADAERN Nc1cc([C@@H]2CCCOC2)no1 62238151 169287995 /nfs/dbraw/zinc/28/79/95/169287995.db2.gz XJQHRIJPQDJSQW-ZCFIWIBFSA-N 0 0 168.196 1.151 10 0 ADAERN Nc1cc(O)cc(CC2CC2)c1 95723100 169288002 /nfs/dbraw/zinc/28/80/02/169288002.db2.gz WAVCEXVVTCFVPZ-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1cc(OC2CC2)c(C=O)cn1 95741609 169288007 /nfs/dbraw/zinc/28/80/07/169288007.db2.gz IAPLYPPCLYEHNQ-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cc(O)c2c(c1)CCCO2 82404070 169288040 /nfs/dbraw/zinc/28/80/40/169288040.db2.gz JZDSFEBTNGJYQH-UHFFFAOYSA-N 0 0 165.192 1.299 10 0 ADAERN Nc1cc(N)c2occc2c1 90598088 169288043 /nfs/dbraw/zinc/28/80/43/169288043.db2.gz QCXXMAWFDWPJKG-UHFFFAOYSA-N 0 0 148.165 1.597 10 0 ADAERN Nc1cc(O)c2nc(N)sc2c1 45235810 169288122 /nfs/dbraw/zinc/28/81/22/169288122.db2.gz PBFBOFHTLTYOAZ-UHFFFAOYSA-N 0 0 181.220 1.166 10 0 ADAERN Nc1cc(N)c2ccccc2c1N 62718510 169288143 /nfs/dbraw/zinc/28/81/43/169288143.db2.gz JSWBUUPUOICKQC-UHFFFAOYSA-N 0 0 173.219 1.586 10 0 ADAERN Nc1cc(O)c2c(c1)CCCCO2 82397222 169288200 /nfs/dbraw/zinc/28/82/00/169288200.db2.gz LVLZISMFBPXIKI-UHFFFAOYSA-N 0 0 179.219 1.690 10 0 ADAERN Nc1cc2cccnc2[nH]1 72231189 169288341 /nfs/dbraw/zinc/28/83/41/169288341.db2.gz CUYRVEQRBOMISE-UHFFFAOYSA-N 0 0 133.154 1.145 10 0 ADAERN Nc1cc2c(cc1N)CCCC2 39136046 169288373 /nfs/dbraw/zinc/28/83/73/169288373.db2.gz IPPRONHQRPJMMI-UHFFFAOYSA-N 0 0 162.236 1.730 10 0 ADAERN Nc1cc2[nH]c(=O)sc2cc1F 34301770 169288389 /nfs/dbraw/zinc/28/83/89/169288389.db2.gz MPNALLJGZMRGLO-UHFFFAOYSA-N 0 0 184.195 1.311 10 0 ADAERN Nc1cc2cccccc-2n1 38292425 169288390 /nfs/dbraw/zinc/28/83/90/169288390.db2.gz TWGPVJJABHHVAJ-UHFFFAOYSA-N 0 0 144.177 1.769 10 0 ADAERN Nc1cc2ncc(C3CC3)cn2n1 82399398 169288392 /nfs/dbraw/zinc/28/83/92/169288392.db2.gz KJQRELYDDHGXHC-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN Nc1cc2c(F)cccc2oc1=O 75882793 169288412 /nfs/dbraw/zinc/28/84/12/169288412.db2.gz JDXLYOCMSGNPKJ-UHFFFAOYSA-N 0 0 179.150 1.514 10 0 ADAERN Nc1cc2nc[nH]c2c(=S)[nH]1 33487701 169288429 /nfs/dbraw/zinc/28/84/29/169288429.db2.gz JUAWPPZVIAZKEK-UHFFFAOYSA-N 0 0 166.209 1.203 10 0 ADAERN Nc1cc2c(s1)CCOC2 106961264 169288439 /nfs/dbraw/zinc/28/84/39/169288439.db2.gz ZFNDAQWDPIZFAZ-UHFFFAOYSA-N 0 0 155.222 1.403 10 0 ADAERN Nc1cc2cccc(F)c2oc1=O 75882781 169288441 /nfs/dbraw/zinc/28/84/41/169288441.db2.gz NFJDSQFWYOGGQU-UHFFFAOYSA-N 0 0 179.150 1.514 10 0 ADAERN Nc1cc2cc(Cl)ccc2c(=O)[nH]1 39252823 169288458 /nfs/dbraw/zinc/28/84/58/169288458.db2.gz QEJNFMUUYADAGM-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN Nc1cc2c(F)cc(F)cc2oc1=O 75882795 169288471 /nfs/dbraw/zinc/28/84/71/169288471.db2.gz BDYSPCOSBWLOFT-UHFFFAOYSA-N 0 0 197.140 1.653 10 0 ADAERN Nc1cc2ccsnc-2c1N 45238065 169288489 /nfs/dbraw/zinc/28/84/89/169288489.db2.gz OFXYHTSSFFJDKP-UHFFFAOYSA-N 0 0 165.221 1.412 10 0 ADAERN Nc1cc2c(cc1Cl)OCC(=O)N2 75252410 169288532 /nfs/dbraw/zinc/28/85/32/169288532.db2.gz SGRGUZYINVIWDP-UHFFFAOYSA-N 0 0 198.609 1.253 10 0 ADAERN Nc1cc2c(cc1Cl)NCC2 82401683 169288541 /nfs/dbraw/zinc/28/85/41/169288541.db2.gz NSYCECRZDFYDAV-UHFFFAOYSA-N 0 0 168.627 1.890 10 0 ADAERN Nc1cc2ccc(F)cc2oc1=O 75882794 169288549 /nfs/dbraw/zinc/28/85/49/169288549.db2.gz XJLZAEHZJGHILM-UHFFFAOYSA-N 0 0 179.150 1.514 10 0 ADAERN Nc1cc2ncccc2o1 82836801 169288554 /nfs/dbraw/zinc/28/85/54/169288554.db2.gz LTPYMDGHUGZUBZ-UHFFFAOYSA-N 0 0 134.138 1.410 10 0 ADAERN Nc1cc2c(cc1F)OCCC2=O 34463583 169288560 /nfs/dbraw/zinc/28/85/60/169288560.db2.gz FFQUMYMNCUMJIE-UHFFFAOYSA-N 0 0 181.166 1.373 10 0 ADAERN Nc1cc2c(F)ccc(F)c2oc1=O 75882792 169288601 /nfs/dbraw/zinc/28/86/01/169288601.db2.gz XBNXSVCXJFERTB-UHFFFAOYSA-N 0 0 197.140 1.653 10 0 ADAERN Nc1cc2ncccc2s1 82408376 169288605 /nfs/dbraw/zinc/28/86/05/169288605.db2.gz BLSWGDUCSOLUNT-UHFFFAOYSA-N 0 0 150.206 1.879 10 0 ADAERN Nc1cc2cc(F)cc(F)c2oc1=O 75882791 169288639 /nfs/dbraw/zinc/28/86/39/169288639.db2.gz LLLZILGVINTPMU-UHFFFAOYSA-N 0 0 197.140 1.653 10 0 ADAERN Nc1cc2c(cc1Cl)CCN2 82401682 169288652 /nfs/dbraw/zinc/28/86/52/169288652.db2.gz LHSPDEAQQLXJOE-UHFFFAOYSA-N 0 0 168.627 1.890 10 0 ADAERN Nc1cc2c(cc1F)OCCCO2 82394539 169288663 /nfs/dbraw/zinc/28/86/63/169288663.db2.gz SJMLORGDPAAVBQ-UHFFFAOYSA-N 0 0 183.182 1.569 10 0 ADAERN Nc1cc2c(oc1=O)CCCCCC2 38540072 169288664 /nfs/dbraw/zinc/28/86/64/169288664.db2.gz BQZWMXWNOLIYRC-UHFFFAOYSA-N 0 0 193.246 1.881 10 0 ADAERN Nc1cc2c(s1)NC(=O)NCC2 107093794 169288678 /nfs/dbraw/zinc/28/86/78/169288678.db2.gz KLQLKWGPHYXTRP-UHFFFAOYSA-N 0 0 183.236 1.008 10 0 ADAERN Nc1cc2ccc(Cl)nc2c(=O)[nH]1 40450115 169288690 /nfs/dbraw/zinc/28/86/90/169288690.db2.gz CBXHIQNWTBKUGX-UHFFFAOYSA-N 0 0 195.609 1.159 10 0 ADAERN Nc1cc2c([nH]c1=S)CCC2 82402814 169288724 /nfs/dbraw/zinc/28/87/24/169288724.db2.gz AQHDZVBBJGLSEG-UHFFFAOYSA-N 0 0 166.249 1.815 10 0 ADAERN Nc1cc2ccccc2c(N)c1O 62718586 169288725 /nfs/dbraw/zinc/28/87/25/169288725.db2.gz BLZVYHDBYLWXMN-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1cc2ccccc2[n+]([O-])c1 39119822 169288727 /nfs/dbraw/zinc/28/87/27/169288727.db2.gz AZRGIDVVKRNORH-UHFFFAOYSA-N 0 0 160.176 1.055 10 0 ADAERN Nc1cc2[nH]c[nH+]c2cc1[S-] 82728853 169288740 /nfs/dbraw/zinc/28/87/40/169288740.db2.gz KOYAPNCKFMLXFU-UHFFFAOYSA-N 0 0 165.221 1.434 10 0 ADAERN Nc1cc2c(cc1F)NCC2 82407786 169288768 /nfs/dbraw/zinc/28/87/68/169288768.db2.gz FPDMYEFUMKNHSX-UHFFFAOYSA-N 0 0 152.172 1.376 10 0 ADAERN Nc1cc2c(oc1=O)CCCCC2 38540070 169288772 /nfs/dbraw/zinc/28/87/72/169288772.db2.gz SHAQBXFJHDCZFQ-UHFFFAOYSA-N 0 0 179.219 1.491 10 0 ADAERN Nc1cc2ccn(O)c2cc1N 39137002 169288812 /nfs/dbraw/zinc/28/88/12/169288812.db2.gz PKPUIRUVTTWSSJ-UHFFFAOYSA-N 0 0 163.180 1.043 10 0 ADAERN Nc1cc2nccnc2cc1F 39134580 169288866 /nfs/dbraw/zinc/28/88/66/169288866.db2.gz GDSNXDWTKWAURG-UHFFFAOYSA-N 0 0 163.155 1.351 10 0 ADAERN Nc1cc2cc[nH]c(=O)c2cc1Cl 135890054 169288884 /nfs/dbraw/zinc/28/88/84/169288884.db2.gz JDIXLWFCIZZRTC-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN Nc1cc2c(cc1F)CCCN2 82403050 169288913 /nfs/dbraw/zinc/28/89/13/169288913.db2.gz RSWWEQHGBHDJNG-UHFFFAOYSA-N 0 0 166.199 1.766 10 0 ADAERN Nc1cc2cccnc2nc1Cl 196546003 169288915 /nfs/dbraw/zinc/28/89/15/169288915.db2.gz RWWDRVIAFXYEKM-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1cc2c(cc1[S-])NC(=O)CC2 35356293 169288922 /nfs/dbraw/zinc/28/89/22/169288922.db2.gz UQCBAUSHNPNSAS-UHFFFAOYSA-N 0 0 194.259 1.442 10 0 ADAERN Nc1cc2[nH]cnc2c2ncccc12 95922928 169288931 /nfs/dbraw/zinc/28/89/31/169288931.db2.gz PTVWBEBGSFGHHI-UHFFFAOYSA-N 0 0 184.202 1.693 10 0 ADAERN Nc1cc2c(nn1)CCCCC2 54930993 169288970 /nfs/dbraw/zinc/28/89/70/169288970.db2.gz GCCUBHSUGRKQGG-UHFFFAOYSA-N 0 0 163.224 1.328 10 0 ADAERN Nc1cc2ccccc2c(N)[nH+]1 39375320 169288988 /nfs/dbraw/zinc/28/89/88/169288988.db2.gz RJDNVPUMVQGSJU-UHFFFAOYSA-N 0 0 159.192 1.399 10 0 ADAERN Nc1cc2cnccc2o1 82410936 169289017 /nfs/dbraw/zinc/28/90/17/169289017.db2.gz YICQOHVMRMLJFF-UHFFFAOYSA-N 0 0 134.138 1.410 10 0 ADAERN Nc1cc2n(c(=O)c1)CCCCC2 82397775 169289072 /nfs/dbraw/zinc/28/90/72/169289072.db2.gz URWCBZJVLGDHRM-UHFFFAOYSA-N 0 0 178.235 1.157 10 0 ADAERN Nc1cc2cn[nH]c(=O)c2cc1Cl 75598508 169289077 /nfs/dbraw/zinc/28/90/77/169289077.db2.gz UPYYLDHFAVYAGV-UHFFFAOYSA-N 0 0 195.609 1.159 10 0 ADAERN Nc1cc2c(cc1Cl)CCC(=O)N2 36949938 169289123 /nfs/dbraw/zinc/28/91/23/169289123.db2.gz XIISIYFHBYEHKF-UHFFFAOYSA-N 0 0 196.637 1.807 10 0 ADAERN Nc1cc2cc[nH+]cc2cc1O 82405321 169289132 /nfs/dbraw/zinc/28/91/32/169289132.db2.gz PUDOHGGSNCTPDM-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 ADAERN Nc1cc2ccc(Cl)cc2c(=O)[nH]1 39252824 169289161 /nfs/dbraw/zinc/28/91/61/169289161.db2.gz NRKQNYGDWZUFPM-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN Nc1cc2ccccc2c(=O)o1 137477097 169289173 /nfs/dbraw/zinc/28/91/73/169289173.db2.gz QVOKUGPVUGJSAF-UHFFFAOYSA-N 0 0 161.160 1.375 10 0 ADAERN Nc1cc2ocnc2cc1F 74942305 169289203 /nfs/dbraw/zinc/28/92/03/169289203.db2.gz BXLZZZQNYGMOIZ-UHFFFAOYSA-N 0 0 152.128 1.549 10 0 in-vitro ADAERN Nc1cc2c(s1)OCO2 107107828 169289205 /nfs/dbraw/zinc/28/92/05/169289205.db2.gz BAAGDQOVUWDIJO-UHFFFAOYSA-N 0 0 143.167 1.059 10 0 ADAERN Nc1cc2c(cc1Cl)C(=O)OC2 82393523 169289222 /nfs/dbraw/zinc/28/92/22/169289222.db2.gz UVGOSWSDJZBBHM-UHFFFAOYSA-N 0 0 183.594 1.593 10 0 ADAERN Nc1cc2nc[nH]c2c(Cl)n1 89203206 169289228 /nfs/dbraw/zinc/28/92/28/169289228.db2.gz VJTFAMRUKQLUDG-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN Nc1cc2c(s1)C(=O)NCCC2 107094503 169289244 /nfs/dbraw/zinc/28/92/44/169289244.db2.gz LRLTZIKMGOFBJB-UHFFFAOYSA-N 0 0 182.248 1.006 10 0 ADAERN Nc1cc2c(N)cccc2cn1 39119704 169289262 /nfs/dbraw/zinc/28/92/62/169289262.db2.gz DDVAMHFREWJVRC-UHFFFAOYSA-N 0 0 159.192 1.399 10 0 ADAERN Nc1cc2cccc(N)c2o1 39048293 169289271 /nfs/dbraw/zinc/28/92/71/169289271.db2.gz GCQSROWXQJHAJC-UHFFFAOYSA-N 0 0 148.165 1.597 10 0 ADAERN Nc1cc2c(nn1)CCCCCC2 54930980 169289280 /nfs/dbraw/zinc/28/92/80/169289280.db2.gz PVMYKQAWBYDLJK-UHFFFAOYSA-N 0 0 177.251 1.718 10 0 ADAERN Nc1cc2oc(=O)ccc2cc1O 140020555 169289306 /nfs/dbraw/zinc/28/93/06/169289306.db2.gz SZGDTYVEETYUSN-UHFFFAOYSA-N 0 0 177.159 1.081 10 0 ADAERN Nc1cc2cnccc2s1 34361083 169289310 /nfs/dbraw/zinc/28/93/10/169289310.db2.gz PCIMHAYOMYAPPZ-UHFFFAOYSA-N 0 0 150.206 1.879 10 0 ADAERN Nc1cc2[nH]c(=O)ccc2cc1F 34464464 169289387 /nfs/dbraw/zinc/28/93/87/169289387.db2.gz AYDJMCMDDXQFDD-UHFFFAOYSA-N 0 0 178.166 1.249 10 0 ADAERN Nc1cc2[nH]ccc(=O)c2s1 82403030 169289401 /nfs/dbraw/zinc/28/94/01/169289401.db2.gz PLYFIQGGZFAFMY-UHFFFAOYSA-N 0 0 166.205 1.172 10 0 ADAERN Nc1cc2c3c(cccc3c1)NC2=O 1611827 169289421 /nfs/dbraw/zinc/28/94/21/169289421.db2.gz MCVDZIQTLRBPKP-UHFFFAOYSA-N 0 0 184.198 1.988 10 0 ADAERN Nc1cc2c(o1)CCC2 107109940 169289426 /nfs/dbraw/zinc/28/94/26/169289426.db2.gz FWAFCUNGQOMYET-UHFFFAOYSA-N 0 0 123.155 1.351 10 0 ADAERN Nc1cc2c(cc1N)C(=O)CCC2 75566591 169289429 /nfs/dbraw/zinc/28/94/29/169289429.db2.gz HCIQYPJEAAZVSR-UHFFFAOYSA-N 0 0 176.219 1.370 10 0 ADAERN Nc1cc2c(oc1=O)CCCC2 38540068 169289444 /nfs/dbraw/zinc/28/94/44/169289444.db2.gz HXFCIRFLJNUMAM-UHFFFAOYSA-N 0 0 165.192 1.101 10 0 ADAERN Nc1cc2oc(C=O)cc2cn1 82404959 169289467 /nfs/dbraw/zinc/28/94/67/169289467.db2.gz JXQUVADXWGNBKG-UHFFFAOYSA-N 0 0 162.148 1.223 10 0 ADAERN Nc1cc2c(cc1F)CCN2 82407787 169289516 /nfs/dbraw/zinc/28/95/16/169289516.db2.gz GKWWOFRQLKOLLW-UHFFFAOYSA-N 0 0 152.172 1.376 10 0 ADAERN Nc1cc2c(cc1[S-])CCC(=O)N2 34727157 169289520 /nfs/dbraw/zinc/28/95/20/169289520.db2.gz GJARKFZMVGVHEB-UHFFFAOYSA-N 0 0 194.259 1.442 10 0 ADAERN Nc1cc2c[nH][nH]c2c2ccnc12 96258217 169289532 /nfs/dbraw/zinc/28/95/32/169289532.db2.gz JVWTTWRBGWZCTC-UHFFFAOYSA-N 0 0 172.191 1.626 10 0 ADAERN Nc1cc2c(cc1[S-])NC(=O)C2 35345871 169289533 /nfs/dbraw/zinc/28/95/33/169289533.db2.gz NJFNPQVQKURNSO-UHFFFAOYSA-N 0 0 180.232 1.052 10 0 ADAERN Nc1cc2[nH]c3ccccc3n2n1 45238359 169289535 /nfs/dbraw/zinc/28/95/35/169289535.db2.gz WMYBLSDCOUPPHT-UHFFFAOYSA-N 0 0 172.191 1.398 10 0 ADAERN Nc1ccc(C(=O)C(F)(F)F)nc1 95761325 169289554 /nfs/dbraw/zinc/28/95/54/169289554.db2.gz YHEKVWAPZYTVDI-UHFFFAOYSA-N 0 0 190.124 1.409 10 0 ADAERN Nc1ccc(-c2ccc(N)nc2)cn1 44121302 169289556 /nfs/dbraw/zinc/28/95/56/169289556.db2.gz VPPPMFUBSHSHJN-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-c2ncno2)c(O)c1 40454071 169289560 /nfs/dbraw/zinc/28/95/60/169289560.db2.gz SINXQBWBYDUVMZ-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN Nc1ccc(-c2ccc(=O)[nH]c2)cn1 44121307 169289572 /nfs/dbraw/zinc/28/95/72/169289572.db2.gz JKPRGQRRKXKNTB-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc(-c2cscn2)nc1 44121385 169289578 /nfs/dbraw/zinc/28/95/78/169289578.db2.gz OOEOCNZJRCDCSO-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc(-c2cc(=O)[nH]cn2)cc1 82529989 169289585 /nfs/dbraw/zinc/28/95/85/169289585.db2.gz YMQIZXGQNGKIKT-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc(-c2ncncn2)cc1 82529247 169289602 /nfs/dbraw/zinc/28/96/02/169289602.db2.gz IJRFDRWIYWRRRM-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccc(-c2cnc(N)cn2)cc1 72191764 169289604 /nfs/dbraw/zinc/28/96/04/169289604.db2.gz PDEOPHPPMXWAGY-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-c2cccc(O)c2)nn1 54931000 169289616 /nfs/dbraw/zinc/28/96/16/169289616.db2.gz LPSPTGGZSLQZSS-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ccc(-c2cccs2)[nH]c1=O 41602904 169289621 /nfs/dbraw/zinc/28/96/21/169289621.db2.gz QQAZMCSYWQVGJW-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN Nc1ccc(-n2ccnc2)cc1F 33992227 169289633 /nfs/dbraw/zinc/28/96/33/169289633.db2.gz RWIQIDNLVXTSSY-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1ccc(-c2ncno2)s1 104836674 169289654 /nfs/dbraw/zinc/28/96/54/169289654.db2.gz GYWSJOUBIONVBB-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1cc[nH]c1C1CC1 107109959 169289667 /nfs/dbraw/zinc/28/96/67/169289667.db2.gz WAQPYFCQKKDZAD-UHFFFAOYSA-N 0 0 122.171 1.474 10 0 ADAERN Nc1ccc(-c2cccc(F)n2)nn1 72204667 169289688 /nfs/dbraw/zinc/28/96/88/169289688.db2.gz GFASJOXXHBMVFD-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1ccc(-c2cncnc2)cc1F 16947750 169289698 /nfs/dbraw/zinc/28/96/98/169289698.db2.gz HRKAQDYANAFIEG-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccc(-c2cc(N)ccn2)nc1 35569564 169289708 /nfs/dbraw/zinc/28/97/08/169289708.db2.gz NMDHNTARELAJBR-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-c2cncc(F)c2)cn1 52886388 169289782 /nfs/dbraw/zinc/28/97/82/169289782.db2.gz GSEIMAJVHDTUOD-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccc(-n2cnnc2)cc1Cl 82386925 169289795 /nfs/dbraw/zinc/28/97/95/169289795.db2.gz OHPDQWKWIYUHEE-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccc(-c2nc(CO)c[nH]2)cc1 58824286 169289815 /nfs/dbraw/zinc/28/98/15/169289815.db2.gz RBPGPYLOSTXIJC-UHFFFAOYSA-N 0 0 189.218 1.151 10 0 ADAERN Nc1ccc(-c2cccc(N)n2)cc1 82730010 169289831 /nfs/dbraw/zinc/28/98/31/169289831.db2.gz SNLDVYVHPIBZKQ-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1ccc(-c2ncccc2F)cn1 75878109 169289842 /nfs/dbraw/zinc/28/98/42/169289842.db2.gz QXOFIAIBOATIGN-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccc(-c2ccc(N)nn2)cc1 72204669 169289850 /nfs/dbraw/zinc/28/98/50/169289850.db2.gz GXBRVSRRQOBFIN-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-c2cn[nH]n2)cc1 9460595 169289853 /nfs/dbraw/zinc/28/98/53/169289853.db2.gz VMWYCRABJPLFCJ-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccc(-n2cccc2)c(O)c1 9239666 169289896 /nfs/dbraw/zinc/28/98/96/169289896.db2.gz FJEYNFFFYWPNIT-UHFFFAOYSA-N 0 0 174.203 1.765 10 0 ADAERN Nc1ccc(-c2csc(=O)[nH]2)cc1 33503311 169289922 /nfs/dbraw/zinc/28/99/22/169289922.db2.gz FVWIKRLHJXJVJR-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN Nc1ccc(-n2cc(Cl)cn2)cn1 38053162 169289937 /nfs/dbraw/zinc/28/99/37/169289937.db2.gz CJOYYUSYEHCZLM-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccc(-c2ccoc2)nn1 44118132 169289945 /nfs/dbraw/zinc/28/99/45/169289945.db2.gz NMPDMBFNVLQXDC-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1ccc(-c2nsc(=O)o2)cc1 95590743 169289956 /nfs/dbraw/zinc/28/99/56/169289956.db2.gz AQKIJBBUSJUMCS-UHFFFAOYSA-N 0 0 194.215 1.346 10 0 ADAERN Nc1ccc(-c2cc[nH]c(=O)c2)cc1 20446624 169289993 /nfs/dbraw/zinc/28/99/93/169289993.db2.gz RHZNUXXPEZOJIF-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1ccc(-c2cc[nH]c(=O)n2)cc1 41203747 169289995 /nfs/dbraw/zinc/28/99/95/169289995.db2.gz NBTULZWEOZGFOV-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc(-c2nc[nH]n2)s1 104502481 169289999 /nfs/dbraw/zinc/28/99/99/169289999.db2.gz CIPRWNBQKYRXPY-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN Nc1ccc(-c2ccncc2)nc1N 39343998 169290009 /nfs/dbraw/zinc/29/00/09/169290009.db2.gz LQJOETKMZNAYNK-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-n2ccnn2)c(Cl)c1 22146585 169290036 /nfs/dbraw/zinc/29/00/36/169290036.db2.gz WNMMJCNXCKQMJW-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccc(-c2cscn2)o1 6093571 169290043 /nfs/dbraw/zinc/29/00/43/169290043.db2.gz WSDPRKYJERUSSX-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1ccc(-c2cccnc2N)cc1 82729952 169290048 /nfs/dbraw/zinc/29/00/48/169290048.db2.gz OFCAZPDWONZCDL-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1ccc(-c2cscn2)cn1 44121091 169290077 /nfs/dbraw/zinc/29/00/77/169290077.db2.gz BLUVHNUKFHZAAH-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc(-c2ncc[nH]2)cc1N 78685338 169290090 /nfs/dbraw/zinc/29/00/90/169290090.db2.gz JNAWJWDZPDGUCJ-UHFFFAOYSA-N 0 0 174.207 1.241 10 0 ADAERN Nc1ccc(-c2ncccn2)cn1 75878123 169290103 /nfs/dbraw/zinc/29/01/03/169290103.db2.gz OYIZKNSBNUOXPU-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccc(-c2cnoc2)cc1 82522568 169290127 /nfs/dbraw/zinc/29/01/27/169290127.db2.gz JGGJAERYXAAEMZ-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1ccc(-c2ncc(N)cn2)cc1 39121249 169290135 /nfs/dbraw/zinc/29/01/35/169290135.db2.gz UUAXNIZLIORMNW-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(C2N=NC(=S)N2)cc1 3616339 169290141 /nfs/dbraw/zinc/29/01/41/169290141.db2.gz ZFPXYLWYSNUYNG-UHFFFAOYSA-N 0 0 192.247 1.343 10 0 ADAERN Nc1ccc(-c2ccccn2)cc1N 34179904 169290145 /nfs/dbraw/zinc/29/01/45/169290145.db2.gz CAMAADNLIGZSSD-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1ccc(-c2ccnc(N)n2)cc1 172559 169290186 /nfs/dbraw/zinc/29/01/86/169290186.db2.gz KVPMEDMXDHDONK-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-n2cncn2)cc1Cl 82655768 169290187 /nfs/dbraw/zinc/29/01/87/169290187.db2.gz DCXLTFUQSSRVAL-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccc(-c2ccc(F)cn2)nn1 72204666 169290202 /nfs/dbraw/zinc/29/02/02/169290202.db2.gz ZHMFUQATTHDBPM-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1ccc(-c2ccco2)nn1 34557185 169290207 /nfs/dbraw/zinc/29/02/07/169290207.db2.gz JWUIYTBBBRZUFC-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1ccc(-c2nccn2O)cc1 75877863 169290230 /nfs/dbraw/zinc/29/02/30/169290230.db2.gz GVGSMFYZJORFCF-UHFFFAOYSA-N 0 0 175.191 1.370 10 0 ADAERN Nc1ccc(-c2nccnn2)cc1 82529246 169290233 /nfs/dbraw/zinc/29/02/33/169290233.db2.gz IXNUMDKRHGIFAR-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccc(-c2c[nH]c(=O)s2)cc1 72204700 169290241 /nfs/dbraw/zinc/29/02/41/169290241.db2.gz HDZMRHMQXRXBEG-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN Nc1ccc(-c2cnc(=O)[nH]c2)cc1 39120977 169290249 /nfs/dbraw/zinc/29/02/49/169290249.db2.gz HQVNJXOXPMGXNN-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc(-c2cccs2)nn1 36438141 169290250 /nfs/dbraw/zinc/29/02/50/169290250.db2.gz XYMCIICHEPYEJZ-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc(-c2cccc(F)c2)nn1 50867788 169290251 /nfs/dbraw/zinc/29/02/51/169290251.db2.gz WZUWKWQWXGYLFE-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccc(-n2ccnn2)cc1Cl 82655771 169290255 /nfs/dbraw/zinc/29/02/55/169290255.db2.gz LYZFILIQTZYKIC-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccc(-c2cnco2)cn1 82405181 169290258 /nfs/dbraw/zinc/29/02/58/169290258.db2.gz XDURZVJKEXSOPK-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1ccc(-c2cc[n+]([O-])cc2)cc1 5331399 169290268 /nfs/dbraw/zinc/29/02/68/169290268.db2.gz AEKAXZSPEIFGEF-UHFFFAOYSA-N 0 0 186.214 1.569 10 0 ADAERN Nc1ccc(-c2ccoc2)nc1 44121475 169290269 /nfs/dbraw/zinc/29/02/69/169290269.db2.gz PDZQNQABUGCVPB-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1ccc(-c2ccoc2)cn1 44121181 169290273 /nfs/dbraw/zinc/29/02/73/169290273.db2.gz GFNPPRHIFLDJQG-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1ccc(-c2ccccn2)oc1=O 90662812 169290286 /nfs/dbraw/zinc/29/02/86/169290286.db2.gz ZAWGUKZTSMQZBH-UHFFFAOYSA-N 0 0 188.186 1.284 10 0 ADAERN Nc1ccc(-c2c[nH]c(=O)cn2)cc1 39213507 169290301 /nfs/dbraw/zinc/29/03/01/169290301.db2.gz DRRJTUYOTZTQNU-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc(-c2cc[nH]n2)cn1 90599907 169290303 /nfs/dbraw/zinc/29/03/03/169290303.db2.gz FWJHVMKDVZPNIW-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccc(-c2cc[nH]c2)nn1 82522570 169290321 /nfs/dbraw/zinc/29/03/21/169290321.db2.gz KFNSPENUGUSFTE-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccc(-c2cc[nH]n2)s1 106960470 169290327 /nfs/dbraw/zinc/29/03/27/169290327.db2.gz ABQLCUKMPNVQQU-UHFFFAOYSA-N 0 0 165.221 1.720 10 0 ADAERN Nc1ccc(-c2ccccn2)[nH]c1=O 41602912 169290328 /nfs/dbraw/zinc/29/03/28/169290328.db2.gz IZNJNPVUWPYSOK-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc(-c2cncnc2)nc1 72192990 169290332 /nfs/dbraw/zinc/29/03/32/169290332.db2.gz RCHBEQRBAQAVOK-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccc(/C=C2/CCOC2=O)cc1 17284817 169290336 /nfs/dbraw/zinc/29/03/36/169290336.db2.gz QHORWUVDDBIDJI-CLFYSBASSA-N 0 0 189.214 1.599 10 0 ADAERN Nc1ccc(-c2nnco2)c(Cl)c1 19514924 169290340 /nfs/dbraw/zinc/29/03/40/169290340.db2.gz RIBKYVCQKAUPBF-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1ccc(/C=C2\CCOC2=O)cc1 1602848 169290342 /nfs/dbraw/zinc/29/03/42/169290342.db2.gz QHORWUVDDBIDJI-VQHVLOKHSA-N 0 0 189.214 1.599 10 0 ADAERN Nc1ccc(-c2ccncn2)s1 106960466 169290346 /nfs/dbraw/zinc/29/03/46/169290346.db2.gz YVXTZPJXFFRFLT-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc(-c2ccncc2)nn1 44118179 169290354 /nfs/dbraw/zinc/29/03/54/169290354.db2.gz LHLWXCMIJRSWFY-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cc2ocnc2cc1O 39059152 169290355 /nfs/dbraw/zinc/29/03/55/169290355.db2.gz UFOLCEDMDHPYKE-UHFFFAOYSA-N 0 0 150.137 1.116 10 0 ADAERN Nc1ccc(-c2cn[nH]c2)cn1 75878023 169290359 /nfs/dbraw/zinc/29/03/59/169290359.db2.gz RQOSDWMCNAMIQM-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccc(-c2ncc[nH]2)c(F)c1 43571262 169290370 /nfs/dbraw/zinc/29/03/70/169290370.db2.gz FTDNGVDEYRDOFZ-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Nc1ccc(Br)[nH]1 107104304 169290387 /nfs/dbraw/zinc/29/03/87/169290387.db2.gz RJMCFWSQECINNW-UHFFFAOYSA-N 0 0 161.002 1.359 10 0 ADAERN Nc1ccc(-c2cccnc2F)cn1 75878110 169290407 /nfs/dbraw/zinc/29/04/07/169290407.db2.gz BJOKIROTHJLRKZ-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccc(-c2ncno2)c(Cl)c1 42417702 169290416 /nfs/dbraw/zinc/29/04/16/169290416.db2.gz XGYOEDKMJUQODV-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1ccc(-c2cncc(F)c2)nn1 84026440 169290472 /nfs/dbraw/zinc/29/04/72/169290472.db2.gz BFNDYWBCXVVRFM-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1ccc(-c2cccc(N)n2)nc1 35569562 169290476 /nfs/dbraw/zinc/29/04/76/169290476.db2.gz VLCRGVLINCZMLB-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-c2cccc[n+]2[O-])cc1 5331477 169290481 /nfs/dbraw/zinc/29/04/81/169290481.db2.gz GNEPNELQNJRQDG-UHFFFAOYSA-N 0 0 186.214 1.569 10 0 ADAERN Nc1ccc(-c2nccc(=O)[nH]2)cc1 71024845 169290482 /nfs/dbraw/zinc/29/04/82/169290482.db2.gz HFBDHLACCWCWEH-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc(-c2nc(N)cs2)cc1 103627236 169290489 /nfs/dbraw/zinc/29/04/89/169290489.db2.gz YHRHHEWBNBLCKK-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1ccc(/C=C/CO)cc1 39048382 169290493 /nfs/dbraw/zinc/29/04/93/169290493.db2.gz WQXGKIRAARPVJD-OWOJBTEDSA-N 0 0 149.193 1.274 10 0 ADAERN Nc1ccc(-c2ccccc2N)cn1 44121251 169290496 /nfs/dbraw/zinc/29/04/96/169290496.db2.gz QIUFQNWDLQMZLX-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1ccc(-c2ccccn2)nn1 44118190 169290514 /nfs/dbraw/zinc/29/05/14/169290514.db2.gz JEKCQEZCDAWMIR-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 in-vitro ADAERN Nc1ccc(-n2cccn2)cc1F 82655569 169290516 /nfs/dbraw/zinc/29/05/16/169290516.db2.gz GKCUQHZHHMDPMP-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1ccc(-c2ccccc2N)nn1 72204674 169290536 /nfs/dbraw/zinc/29/05/36/169290536.db2.gz DZSKWXDVMBQAJA-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-c2ccc(N)cn2)cc1 75576914 169290547 /nfs/dbraw/zinc/29/05/47/169290547.db2.gz PFWDSZBMGYUMPB-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1ccc(-c2c[nH][nH]c2=O)cc1 82399115 169290564 /nfs/dbraw/zinc/29/05/64/169290564.db2.gz UEKOGMUTWIUBOI-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN Nc1ccc(-c2ncc(N)s2)cc1 72191741 169290577 /nfs/dbraw/zinc/29/05/77/169290577.db2.gz ZAQNHQPVMODWIW-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1ccc(-c2ccnc(N)c2)cc1 82729971 169290587 /nfs/dbraw/zinc/29/05/87/169290587.db2.gz ZAPDKYBWAZWDDT-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1ccc(-c2ccc(O)cc2)nn1 54930991 169290600 /nfs/dbraw/zinc/29/06/00/169290600.db2.gz IKJWHPHRYHBUMD-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ccc(-c2ccc(=O)[nH]c2)cc1 44121242 169290607 /nfs/dbraw/zinc/29/06/07/169290607.db2.gz DZJVMCPHAYAQNF-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1ccc(-c2ncc[nH]2)cn1 75878192 169290611 /nfs/dbraw/zinc/29/06/11/169290611.db2.gz KGUKTFUOUATXSL-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccc(-c2ccccc2)oc1=O 38540076 169290614 /nfs/dbraw/zinc/29/06/14/169290614.db2.gz DVBWMVJZXPHKBW-UHFFFAOYSA-N 0 0 187.198 1.889 10 0 ADAERN Nc1ccc(-c2cnc(N)s2)cc1 32231662 169290633 /nfs/dbraw/zinc/29/06/33/169290633.db2.gz CGEBKMQTSUAAMN-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1ccc(-c2ncno2)cc1O 40454123 169290655 /nfs/dbraw/zinc/29/06/55/169290655.db2.gz GVYMSQGYRHCQMR-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN Nc1ccc(-c2nc[nH]n2)c(Cl)c1 42417717 169290669 /nfs/dbraw/zinc/29/06/69/169290669.db2.gz OCBAUUDKEDJPMF-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1ccc(-c2cncc(N)n2)cc1 72191760 169290679 /nfs/dbraw/zinc/29/06/79/169290679.db2.gz FQNJBQFQOGTTJF-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc(-c2ccccc2O)nn1 54930994 169290694 /nfs/dbraw/zinc/29/06/94/169290694.db2.gz AHRNDHTYSONZPP-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ccc(C=O)cc1OC1CC1 95741420 169291001 /nfs/dbraw/zinc/29/10/01/169291001.db2.gz OHMNNZDYWBGNCF-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1ccc(C2=CCOCC2)cn1 165926487 169291012 /nfs/dbraw/zinc/29/10/12/169291012.db2.gz OVHZBGRLQUSBNX-UHFFFAOYSA-N 0 0 176.219 1.468 10 0 ADAERN Nc1ccc(C2COC2)s1 107105302 169291123 /nfs/dbraw/zinc/29/11/23/169291123.db2.gz VGMRAKRZRBNZRI-UHFFFAOYSA-N 0 0 155.222 1.444 10 0 ADAERN Nc1ccc(CC(F)(F)F)nc1 82398942 169291134 /nfs/dbraw/zinc/29/11/34/169291134.db2.gz JEYJJPZKPYAUED-UHFFFAOYSA-N 0 0 176.141 1.769 10 0 ADAERN Nc1ccc(C2CC2)o1 103624531 169291154 /nfs/dbraw/zinc/29/11/54/169291154.db2.gz ZCPVFUDMWFCQJG-UHFFFAOYSA-N 0 0 123.155 1.739 10 0 ADAERN Nc1ccc(CC(F)(F)F)o1 106958868 169291161 /nfs/dbraw/zinc/29/11/61/169291161.db2.gz BCLMEXXNMGAENT-UHFFFAOYSA-N 0 0 165.114 1.967 10 0 ADAERN Nc1ccc(C(=O)NC2CCCC2)o1 105515437 169291173 /nfs/dbraw/zinc/29/11/73/169291173.db2.gz UQSBCDLEHWLYMB-UHFFFAOYSA-N 0 0 194.234 1.534 10 0 ADAERN Nc1ccc(C(=O)N2CCCC2)o1 105515837 169291231 /nfs/dbraw/zinc/29/12/31/169291231.db2.gz BMEVYOPWOQOOMF-UHFFFAOYSA-N 0 0 180.207 1.098 10 0 ADAERN Nc1ccc(COC2CCC2)cn1 50833284 169291275 /nfs/dbraw/zinc/29/12/75/169291275.db2.gz FUNKAGBYBUVRDW-UHFFFAOYSA-N 0 0 178.235 1.733 10 0 ADAERN Nc1ccc(C(=O)OC2CCC2)cc1 50929073 169291291 /nfs/dbraw/zinc/29/12/91/169291291.db2.gz NWJQIRVNPKHKBK-UHFFFAOYSA-N 0 0 191.230 1.978 10 0 ADAERN Nc1ccc(C=O)c(OC2CC2)c1 95741421 169291329 /nfs/dbraw/zinc/29/13/29/169291329.db2.gz PMYKWZCBSJVGSO-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1ccc(CC2CC2)cc1O 95719768 169291336 /nfs/dbraw/zinc/29/13/36/169291336.db2.gz UMQKXLYKVQXATA-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1ccc(C2CCC2)nn1 44118099 169291338 /nfs/dbraw/zinc/29/13/38/169291338.db2.gz IPXVBTFTQXFYBZ-UHFFFAOYSA-N 0 0 149.197 1.326 10 0 ADAERN Nc1ccc(C(=O)c2ccccc2)[nH]1 34288203 169291347 /nfs/dbraw/zinc/29/13/47/169291347.db2.gz BPTVNEVOEYMPBO-UHFFFAOYSA-N 0 0 186.214 1.828 10 0 ADAERN Nc1ccc(C(F)(F)Cl)[nH]c1=O 95097769 169291396 /nfs/dbraw/zinc/29/13/96/169291396.db2.gz XFHWEKUVVQTOPJ-UHFFFAOYSA-N 0 0 194.568 1.245 10 0 ADAERN Nc1ccc(CC2CC2)c(O)c1 95720814 169291414 /nfs/dbraw/zinc/29/14/14/169291414.db2.gz IQWIBFDGKPOFHF-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1ccc(C(=O)c2cccnc2)cc1 15781887 169291514 /nfs/dbraw/zinc/29/15/14/169291514.db2.gz WYAKUPXWXWLWDL-UHFFFAOYSA-N 0 0 198.225 1.895 10 0 ADAERN Nc1ccc(C2CCCC2)nn1 44118109 169291570 /nfs/dbraw/zinc/29/15/70/169291570.db2.gz QJCDTTYMWMKSSF-UHFFFAOYSA-N 0 0 163.224 1.716 10 0 ADAERN Nc1ccc(C(=O)OC(F)F)cc1 41047764 169291576 /nfs/dbraw/zinc/29/15/76/169291576.db2.gz TUWDQCAERZNUAL-UHFFFAOYSA-N 0 0 187.145 1.648 10 0 ADAERN Nc1ccc(C(=O)NC2CC2)c(F)c1 43570441 169291747 /nfs/dbraw/zinc/29/17/47/169291747.db2.gz PDWCXHRHCMBHRL-UHFFFAOYSA-N 0 0 194.209 1.300 10 0 ADAERN Nc1ccc(C=O)s1 38864320 169291796 /nfs/dbraw/zinc/29/17/96/169291796.db2.gz QFBSIUIFNVITOR-UHFFFAOYSA-N 0 0 127.168 1.143 10 0 ADAERN Nc1ccc(C(=O)NC2CC2)cc1F 54405108 169291841 /nfs/dbraw/zinc/29/18/41/169291841.db2.gz MGWRYHIYZJUAFA-UHFFFAOYSA-N 0 0 194.209 1.300 10 0 ADAERN Nc1ccc(C(=O)N2CCCCC2)o1 105515932 169291871 /nfs/dbraw/zinc/29/18/71/169291871.db2.gz KBZPZOIAJABIDX-UHFFFAOYSA-N 0 0 194.234 1.488 10 0 ADAERN Nc1ccc(CC(F)(F)F)cc1N 95774372 169291882 /nfs/dbraw/zinc/29/18/82/169291882.db2.gz BSBDJAUPEMHWGY-UHFFFAOYSA-N 0 0 190.168 1.956 10 0 ADAERN Nc1ccc(CO)c2ncccc12 37285434 169291929 /nfs/dbraw/zinc/29/19/29/169291929.db2.gz YMRXGKTUTVBFJK-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN Nc1ccc(F)cc1-c1cncnc1 52886554 169292116 /nfs/dbraw/zinc/29/21/16/169292116.db2.gz LRJBRHPVMNSSJF-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccc(F)s1 107110019 169292122 /nfs/dbraw/zinc/29/21/22/169292122.db2.gz KYGZPBSRRITCGT-UHFFFAOYSA-N 0 0 117.148 1.469 10 0 ADAERN Nc1ccc(F)cc1SCCO 52122441 169292143 /nfs/dbraw/zinc/29/21/43/169292143.db2.gz NRZFRQOQBYDRFP-UHFFFAOYSA-N 0 0 187.239 1.492 10 0 ADAERN Nc1ccc(NCCCO)c(F)c1 37383135 169292219 /nfs/dbraw/zinc/29/22/19/169292219.db2.gz ZVJUEDJZZRHKFZ-UHFFFAOYSA-N 0 0 184.214 1.202 10 0 ADAERN Nc1ccc(OC2CC2)c(N)c1 95737484 169292229 /nfs/dbraw/zinc/29/22/29/169292229.db2.gz MSWBAIVKSDGBHO-UHFFFAOYSA-N 0 0 164.208 1.392 10 0 ADAERN Nc1ccc(O)c2c(N)ccc(O)c12 62719807 169292273 /nfs/dbraw/zinc/29/22/73/169292273.db2.gz ARYOXAUEDPFVAT-UHFFFAOYSA-N 0 0 190.202 1.415 10 0 ADAERN Nc1ccc(NC(=O)C2CC2)cc1F 76855151 169292275 /nfs/dbraw/zinc/29/22/75/169292275.db2.gz MEGHMMBTVKYJKB-UHFFFAOYSA-N 0 0 194.209 1.756 10 0 ADAERN Nc1ccc(OCc2ccco2)nc1 19255750 169292277 /nfs/dbraw/zinc/29/22/77/169292277.db2.gz WWOUIDMJIGLXQS-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1ccc(NC2CCOCC2)nc1 36319173 169292283 /nfs/dbraw/zinc/29/22/83/169292283.db2.gz BJNPVLXBDBKFAF-UHFFFAOYSA-N 0 0 193.250 1.255 10 0 ADAERN Nc1ccc(O)cc1OCC1CC1 95724828 169292310 /nfs/dbraw/zinc/29/23/10/169292310.db2.gz SUCREVZXUXBXPU-UHFFFAOYSA-N 0 0 179.219 1.763 10 0 ADAERN Nc1ccc(OCCO)cc1Cl 50470900 169292329 /nfs/dbraw/zinc/29/23/29/169292329.db2.gz SFPLUGPDTCDDCA-UHFFFAOYSA-N 0 0 187.626 1.293 10 0 ADAERN Nc1ccc(OCCCCO)cc1F 43472653 169292346 /nfs/dbraw/zinc/29/23/46/169292346.db2.gz UEJJMTXPBIGPEL-UHFFFAOYSA-N 0 0 199.225 1.559 10 0 ADAERN Nc1ccc(OCC2CC2)cc1O 95719818 169292362 /nfs/dbraw/zinc/29/23/62/169292362.db2.gz CUKZJASBSGVNIP-UHFFFAOYSA-N 0 0 179.219 1.763 10 0 ADAERN Nc1ccc(N2C[C@H]3CC[C@@H]2C3)cn1 49716101 169292376 /nfs/dbraw/zinc/29/23/76/169292376.db2.gz PTLWGIUMOXVSTL-DTWKUNHWSA-N 0 0 189.262 1.653 10 0 ADAERN Nc1ccc(NC2CC2)c2nonc12 35675332 169292390 /nfs/dbraw/zinc/29/23/90/169292390.db2.gz IHQZWLVQVCQHJD-UHFFFAOYSA-N 0 0 190.206 1.379 10 0 ADAERN Nc1ccc(NC[C@H]2CCOC2)cn1 61146676 169292443 /nfs/dbraw/zinc/29/24/43/169292443.db2.gz YIYUXZCVZQTMDQ-MRVPVSSYSA-N 0 0 193.250 1.112 10 0 ADAERN Nc1ccc(OC[C@@H]2CCCO2)cn1 19869221 169292462 /nfs/dbraw/zinc/29/24/62/169292462.db2.gz AYQMRCQTSOCGLT-VIFPVBQESA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ccc(OCCCO)c(F)c1 34974051 169292514 /nfs/dbraw/zinc/29/25/14/169292514.db2.gz AUADMTRNTVGCDC-UHFFFAOYSA-N 0 0 185.198 1.169 10 0 ADAERN Nc1ccc(OCCCO)cc1F 43472651 169292518 /nfs/dbraw/zinc/29/25/18/169292518.db2.gz CCDJTXGTWIDDAS-UHFFFAOYSA-N 0 0 185.198 1.169 10 0 ADAERN Nc1ccc(NC[C@@H]2CCOC2)cn1 61146675 169292531 /nfs/dbraw/zinc/29/25/31/169292531.db2.gz YIYUXZCVZQTMDQ-QMMMGPOBSA-N 0 0 193.250 1.112 10 0 ADAERN Nc1ccc(NCC2CC2)nc1 20381802 169292543 /nfs/dbraw/zinc/29/25/43/169292543.db2.gz QCWKRKYVWOEWEP-UHFFFAOYSA-N 0 0 163.224 1.486 10 0 ADAERN Nc1ccc(OC[C@H]2CCOC2)nc1 49688339 169292547 /nfs/dbraw/zinc/29/25/47/169292547.db2.gz SYBSDPOCLKKDPP-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ccc(OCc2ccco2)cn1 19868926 169292562 /nfs/dbraw/zinc/29/25/62/169292562.db2.gz HVKXVOYZSYSVPB-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1ccc(OCCCCO)c(F)c1 43444942 169292576 /nfs/dbraw/zinc/29/25/76/169292576.db2.gz XTRFGQIFOMFTNA-UHFFFAOYSA-N 0 0 199.225 1.559 10 0 ADAERN Nc1ccc(OC2CC2)c(C=O)c1 95741349 169292626 /nfs/dbraw/zinc/29/26/26/169292626.db2.gz GUHINGQYIIFRSI-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1ccc(O)c(-c2cc[nH]n2)c1 82868436 169292628 /nfs/dbraw/zinc/29/26/28/169292628.db2.gz ALNLJGNVHDCGBD-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN Nc1ccc(NCCO)c(Cl)c1 20384340 169292650 /nfs/dbraw/zinc/29/26/50/169292650.db2.gz BOOLYNQNAAWCHL-UHFFFAOYSA-N 0 0 186.642 1.326 10 0 ADAERN Nc1ccc(OC[C@@H]2CCOC2)nc1 49688338 169292657 /nfs/dbraw/zinc/29/26/57/169292657.db2.gz SYBSDPOCLKKDPP-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ccc(O)c(CSCCO)c1 34317636 169292659 /nfs/dbraw/zinc/29/26/59/169292659.db2.gz JMHLCAWNABHIJS-UHFFFAOYSA-N 0 0 199.275 1.200 10 0 ADAERN Nc1ccc(NC(=O)C2CC2)c(O)c1 21003779 169292667 /nfs/dbraw/zinc/29/26/67/169292667.db2.gz IWRYOHIOSHTMAP-UHFFFAOYSA-N 0 0 192.218 1.323 10 0 ADAERN Nc1ccc(O)c2c(O)cccc12 62718700 169292670 /nfs/dbraw/zinc/29/26/70/169292670.db2.gz NKBBBEORVKTJGC-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1ccc(NC[C@H]2CCCO2)nc1 19961600 169292682 /nfs/dbraw/zinc/29/26/82/169292682.db2.gz IBZYESZELBIEJB-SECBINFHSA-N 0 0 193.250 1.255 10 0 ADAERN Nc1ccc(NC[C@@H]2CCCO2)nc1 19961596 169292711 /nfs/dbraw/zinc/29/27/11/169292711.db2.gz IBZYESZELBIEJB-VIFPVBQESA-N 0 0 193.250 1.255 10 0 ADAERN Nc1ccc(O)cc1CC1CC1 95723722 169292728 /nfs/dbraw/zinc/29/27/28/169292728.db2.gz UTJGOJUPJFYUFB-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1ccc(OC2CCCCC2)nn1 75581353 169292742 /nfs/dbraw/zinc/29/27/42/169292742.db2.gz XTDLRSXWZXABEX-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN Nc1ccc(NCc2ccco2)nc1 19952785 169292744 /nfs/dbraw/zinc/29/27/44/169292744.db2.gz QZRLQGPEEKMEKA-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN Nc1ccc(OC[C@H]2CCOC2)cn1 49688377 169292756 /nfs/dbraw/zinc/29/27/56/169292756.db2.gz RLFZVBVJFMEZPC-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ccc(NC[C@@H]2CCOC2)nc1 61146627 169292769 /nfs/dbraw/zinc/29/27/69/169292769.db2.gz JJTGFPXNZHAPPG-QMMMGPOBSA-N 0 0 193.250 1.112 10 0 ADAERN Nc1ccc(NC[C@H]2CCCO2)cn1 19952931 169292772 /nfs/dbraw/zinc/29/27/72/169292772.db2.gz NLGNDFCLAZLLEJ-SECBINFHSA-N 0 0 193.250 1.255 10 0 ADAERN Nc1ccc(OC2CC2)c(Cl)n1 95737498 169292786 /nfs/dbraw/zinc/29/27/86/169292786.db2.gz KRKHEQFMXXXIJV-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1ccc(N2CCCC2)o1 107106179 169292787 /nfs/dbraw/zinc/29/27/87/169292787.db2.gz LLHISNWNPVUBHJ-UHFFFAOYSA-N 0 0 152.197 1.462 10 0 ADAERN Nc1ccc(Oc2ccccc2)nn1 75577594 169292811 /nfs/dbraw/zinc/29/28/11/169292811.db2.gz IGTXIZACJFSMLX-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN Nc1ccc(O)c2c(N)cccc12 62718576 169292818 /nfs/dbraw/zinc/29/28/18/169292818.db2.gz VLFPCBKJLWELRN-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1ccc(N2CCOC2=O)c(F)c1 43474312 169292854 /nfs/dbraw/zinc/29/28/54/169292854.db2.gz ROKMVZVXAPMYDX-UHFFFAOYSA-N 0 0 196.181 1.365 10 0 ADAERN Nc1ccc(O)c2c(O)ccc(N)c12 62719813 169292891 /nfs/dbraw/zinc/29/28/91/169292891.db2.gz KQIVDKHWWGFGMR-UHFFFAOYSA-N 0 0 190.202 1.415 10 0 ADAERN Nc1ccc(NC(=O)C2CCC2)nc1 36904029 169292895 /nfs/dbraw/zinc/29/28/95/169292895.db2.gz ZRJBAWXDECHUQQ-UHFFFAOYSA-N 0 0 191.234 1.402 10 0 ADAERN Nc1ccc(OCCCF)cc1N 95094030 169292898 /nfs/dbraw/zinc/29/28/98/169292898.db2.gz PVGBGGXYBOCOHV-UHFFFAOYSA-N 0 0 184.214 1.589 10 0 ADAERN Nc1ccc(N2C[C@H]3CC[C@@H]2C3)nc1 49716148 169292917 /nfs/dbraw/zinc/29/29/17/169292917.db2.gz JXYKPBCQOMGVIA-WCBMZHEXSA-N 0 0 189.262 1.653 10 0 ADAERN Nc1ccc(NC2CC2)c(F)c1 20135602 169292937 /nfs/dbraw/zinc/29/29/37/169292937.db2.gz WCOJRPWANLOAMU-UHFFFAOYSA-N 0 0 166.199 1.982 10 0 ADAERN Nc1ccc(O)c2ccc(O)cc12 62718697 169292967 /nfs/dbraw/zinc/29/29/67/169292967.db2.gz QFWZPXIODBKTTF-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1ccc(NCC(F)(F)F)cn1 20383253 169292971 /nfs/dbraw/zinc/29/29/71/169292971.db2.gz XCACTEOIVDRVDJ-UHFFFAOYSA-N 0 0 191.156 1.638 10 0 ADAERN Nc1ccc(NCCO)c(CF)c1 71791136 169293003 /nfs/dbraw/zinc/29/30/03/169293003.db2.gz ANNOOXQNKMQYMS-UHFFFAOYSA-N 0 0 184.214 1.143 10 0 ADAERN Nc1ccc(NCC(F)(F)F)nc1 20383270 169293013 /nfs/dbraw/zinc/29/30/13/169293013.db2.gz FPFBOCHJJFVCDW-UHFFFAOYSA-N 0 0 191.156 1.638 10 0 ADAERN Nc1ccc(OC2CC2)c(C=O)n1 95741695 169293022 /nfs/dbraw/zinc/29/30/22/169293022.db2.gz QLBZZZSVXSPWGZ-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1ccc(O)c(CC2CC2)c1 95724121 169293047 /nfs/dbraw/zinc/29/30/47/169293047.db2.gz ALQBTOJVKBGCRS-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1ccc(OC[C@H]2CCCO2)cn1 19869223 169293054 /nfs/dbraw/zinc/29/30/54/169293054.db2.gz AYQMRCQTSOCGLT-SECBINFHSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ccc(OCC2CC2)cn1 19870506 169293084 /nfs/dbraw/zinc/29/30/84/169293084.db2.gz PGKPKGLXAPVTFI-UHFFFAOYSA-N 0 0 164.208 1.453 10 0 ADAERN Nc1ccc(NC2CC2)cn1 19952847 169293139 /nfs/dbraw/zinc/29/31/39/169293139.db2.gz WLANYAZPHMXYML-UHFFFAOYSA-N 0 0 149.197 1.238 10 0 ADAERN Nc1ccc(NCC2CCC2)nc1 37180444 169293161 /nfs/dbraw/zinc/29/31/61/169293161.db2.gz PWIKGMQJCRXRQJ-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN Nc1ccc(OC[C@H]2CCCO2)nc1 19404719 169293179 /nfs/dbraw/zinc/29/31/79/169293179.db2.gz COGDHVYISSBKHF-SECBINFHSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ccc(O)c2ccncc12 35333253 169293181 /nfs/dbraw/zinc/29/31/81/169293181.db2.gz BCIFJDGSMDSLLM-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 ADAERN Nc1ccc(OCC(F)(F)F)cn1 19868922 169293193 /nfs/dbraw/zinc/29/31/93/169293193.db2.gz KZPQLYYXBRUQRD-UHFFFAOYSA-N 0 0 192.140 1.605 10 0 ADAERN Nc1ccc(NC[C@@H]2CCCO2)cn1 19952927 169293198 /nfs/dbraw/zinc/29/31/98/169293198.db2.gz NLGNDFCLAZLLEJ-VIFPVBQESA-N 0 0 193.250 1.255 10 0 ADAERN Nc1ccc(NCC2CCC2)cn1 37180426 169293217 /nfs/dbraw/zinc/29/32/17/169293217.db2.gz ICWONPRXGSBIOX-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN Nc1ccc(NC[C@H]2CCOC2)nc1 61146628 169293219 /nfs/dbraw/zinc/29/32/19/169293219.db2.gz JJTGFPXNZHAPPG-MRVPVSSYSA-N 0 0 193.250 1.112 10 0 ADAERN Nc1ccc(OC2CCOCC2)cn1 40887163 169293222 /nfs/dbraw/zinc/29/32/22/169293222.db2.gz PSRLFNWTVAVWJM-UHFFFAOYSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ccc(NC(=O)CC2CC2)nc1 49728727 169293232 /nfs/dbraw/zinc/29/32/32/169293232.db2.gz XRQAWLCPOXQHEG-UHFFFAOYSA-N 0 0 191.234 1.402 10 0 ADAERN Nc1ccc(OC2CC2)cc1F 95737249 169293240 /nfs/dbraw/zinc/29/32/40/169293240.db2.gz IBQUDLHBHAPMLQ-UHFFFAOYSA-N 0 0 167.183 1.949 10 0 ADAERN Nc1ccc(O)c(Cl)n1 95773694 169293248 /nfs/dbraw/zinc/29/32/48/169293248.db2.gz BDKNFLHXTOVGPU-UHFFFAOYSA-N 0 0 144.561 1.023 10 0 ADAERN Nc1ccc(OC[C@@H]2CCCO2)nc1 19404714 169293256 /nfs/dbraw/zinc/29/32/56/169293256.db2.gz COGDHVYISSBKHF-VIFPVBQESA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ccc(OC2CC2)c(F)n1 95737476 169293258 /nfs/dbraw/zinc/29/32/58/169293258.db2.gz OEHQWPGSUDFGPO-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1ccc(N2CCOC2=O)cc1F 82655781 169293264 /nfs/dbraw/zinc/29/32/64/169293264.db2.gz FZEZNDOCNIXOLO-UHFFFAOYSA-N 0 0 196.181 1.365 10 0 ADAERN Nc1ccc(NCC2CC2)cn1 20381782 169293275 /nfs/dbraw/zinc/29/32/75/169293275.db2.gz CAJJZYINIFKQHL-UHFFFAOYSA-N 0 0 163.224 1.486 10 0 ADAERN Nc1ccc(NCc2ccco2)cn1 19953012 169293280 /nfs/dbraw/zinc/29/32/80/169293280.db2.gz XHHMZTTZBSBQJC-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN Nc1ccc(NC2CCC2)cn1 52207466 169293285 /nfs/dbraw/zinc/29/32/85/169293285.db2.gz GYGWUWKSKSQQNH-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN Nc1ccc(OC[C@@H]2CCOC2)cn1 49688376 169293287 /nfs/dbraw/zinc/29/32/87/169293287.db2.gz RLFZVBVJFMEZPC-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ccc(OC2CCC2)cn1 50519022 169293297 /nfs/dbraw/zinc/29/32/97/169293297.db2.gz KEEYWIYDPRFYAK-UHFFFAOYSA-N 0 0 164.208 1.595 10 0 ADAERN Nc1ccc(N=O)ccc1=O 39048648 169293343 /nfs/dbraw/zinc/29/33/43/169293343.db2.gz ODFZGLIAPTXNMZ-UHFFFAOYSA-N 0 0 150.137 1.027 10 0 ADAERN Nc1ccc(NC2CCOCC2)cn1 36319188 169293356 /nfs/dbraw/zinc/29/33/56/169293356.db2.gz HDROJZIWTZQQST-UHFFFAOYSA-N 0 0 193.250 1.255 10 0 ADAERN Nc1ccc([C@H]2CCCOC2)cn1 44122068 169293467 /nfs/dbraw/zinc/29/34/67/169293467.db2.gz LERXRGWLAZMUQE-VIFPVBQESA-N 0 0 178.235 1.558 10 0 ADAERN Nc1ccc([C@H]2CCOCCO2)cc1 71491531 169293489 /nfs/dbraw/zinc/29/34/89/169293489.db2.gz CGLPZIFYTXHSQJ-LLVKDONJSA-N 0 0 193.246 1.747 10 0 ADAERN Nc1ccc([C@@H]2CCCO2)cn1 72193299 169293522 /nfs/dbraw/zinc/29/35/22/169293522.db2.gz ATVRWGLXENBWCO-QMMMGPOBSA-N 0 0 164.208 1.515 10 0 ADAERN Nc1ccc([C@H]2CNC(=O)O2)cc1 75456255 169293627 /nfs/dbraw/zinc/29/36/27/169293627.db2.gz JYVVZMFFCLQRFC-MRVPVSSYSA-N 0 0 178.191 1.050 10 0 ADAERN Nc1ccc([S@](=O)NC2CC2)cc1 82531048 169293660 /nfs/dbraw/zinc/29/36/60/169293660.db2.gz MANVGDREYCYESK-CYBMUJFWSA-N 0 0 196.275 1.043 10 0 ADAERN Nc1ccc(SCCCO)cn1 37116119 169293675 /nfs/dbraw/zinc/29/36/75/169293675.db2.gz LZNSLVVUNOIOCY-UHFFFAOYSA-N 0 0 184.264 1.138 10 0 ADAERN Nc1ccc([C@H]2CNC(=O)OC2)cc1 82530567 169293679 /nfs/dbraw/zinc/29/36/79/169293679.db2.gz RHJFLEIOVFAEQJ-QMMMGPOBSA-N 0 0 192.218 1.092 10 0 ADAERN Nc1ccc([S@](=O)CC2CC2)cc1 42197463 169293689 /nfs/dbraw/zinc/29/36/89/169293689.db2.gz YPLOBLVGWYSENX-ZDUSSCGKSA-N 0 0 195.287 1.786 10 0 ADAERN Nc1ccc(S[C@H]2CC(=O)N2)cc1 73162950 169293704 /nfs/dbraw/zinc/29/37/04/169293704.db2.gz JEBJEIPJXWATLG-VIFPVBQESA-N 0 0 194.259 1.207 10 0 ADAERN Nc1ccc([C@@H]2CNC(=O)OC2)cc1 82530566 169293709 /nfs/dbraw/zinc/29/37/09/169293709.db2.gz RHJFLEIOVFAEQJ-MRVPVSSYSA-N 0 0 192.218 1.092 10 0 ADAERN Nc1ccc([C@H]2CCCO2)cn1 72193300 169293751 /nfs/dbraw/zinc/29/37/51/169293751.db2.gz ATVRWGLXENBWCO-MRVPVSSYSA-N 0 0 164.208 1.515 10 0 ADAERN Nc1ccc(SCCCO)nc1 37191328 169293765 /nfs/dbraw/zinc/29/37/65/169293765.db2.gz ZYYKRKOIXWVQQC-UHFFFAOYSA-N 0 0 184.264 1.138 10 0 ADAERN Nc1ccc(SC(F)F)cn1 37192488 169293772 /nfs/dbraw/zinc/29/37/72/169293772.db2.gz JBDOLRVHZPMZEU-UHFFFAOYSA-N 0 0 176.191 1.979 10 0 ADAERN Nc1ccc([C@@H](O)C(F)F)cc1 96308475 169293833 /nfs/dbraw/zinc/29/38/33/169293833.db2.gz YMNBIUFEVHXCNI-SSDOTTSWSA-N 0 0 173.162 1.567 10 0 ADAERN Nc1ccc(SCCCCO)nc1 43445795 169293867 /nfs/dbraw/zinc/29/38/67/169293867.db2.gz DASFOMGXSSSOGH-UHFFFAOYSA-N 0 0 198.291 1.528 10 0 ADAERN Nc1ccc(SC(F)(F)F)nn1 96308613 169293887 /nfs/dbraw/zinc/29/38/87/169293887.db2.gz MJNSWCCOBRJAJK-UHFFFAOYSA-N 0 0 195.169 1.671 10 0 ADAERN Nc1ccc(SCCO)c(F)c1 37117026 169293940 /nfs/dbraw/zinc/29/39/40/169293940.db2.gz QXRDZIJZYLELRK-UHFFFAOYSA-N 0 0 187.239 1.492 10 0 ADAERN Nc1ccc([C@H]2CCOC2)cn1 44121955 169293957 /nfs/dbraw/zinc/29/39/57/169293957.db2.gz VVBFZWHVVSVEKZ-QMMMGPOBSA-N 0 0 164.208 1.168 10 0 ADAERN Nc1ccc([C@@H]2CCC(=O)C2)o1 107103195 169293978 /nfs/dbraw/zinc/29/39/78/169293978.db2.gz RJEANGCYTIMHQG-ZCFIWIBFSA-N 0 0 165.192 1.698 10 0 ADAERN Nc1ccc([C@H]2CCC(=O)C2)o1 107103197 169294011 /nfs/dbraw/zinc/29/40/11/169294011.db2.gz RJEANGCYTIMHQG-LURJTMIESA-N 0 0 165.192 1.698 10 0 ADAERN Nc1ccc([C@@H]2CCOCCO2)cc1 71491530 169294013 /nfs/dbraw/zinc/29/40/13/169294013.db2.gz CGLPZIFYTXHSQJ-NSHDSACASA-N 0 0 193.246 1.747 10 0 ADAERN Nc1ccc(SCCCCO)cn1 43445796 169294075 /nfs/dbraw/zinc/29/40/75/169294075.db2.gz GZXOHNIDLHJNRC-UHFFFAOYSA-N 0 0 198.291 1.528 10 0 ADAERN Nc1ccc([C@@H]2CCOC2)cn1 44121950 169294091 /nfs/dbraw/zinc/29/40/91/169294091.db2.gz VVBFZWHVVSVEKZ-MRVPVSSYSA-N 0 0 164.208 1.168 10 0 ADAERN Nc1ccc([C@H](O)C(F)F)cc1 96308474 169294104 /nfs/dbraw/zinc/29/41/04/169294104.db2.gz YMNBIUFEVHXCNI-ZETCQYMHSA-N 0 0 173.162 1.567 10 0 ADAERN Nc1ccc([S@@](=O)CC2CC2)cc1 42197461 169294120 /nfs/dbraw/zinc/29/41/20/169294120.db2.gz YPLOBLVGWYSENX-CYBMUJFWSA-N 0 0 195.287 1.786 10 0 ADAERN Nc1ccc([C@@H]2CNC(=O)O2)cc1 75456250 169294122 /nfs/dbraw/zinc/29/41/22/169294122.db2.gz JYVVZMFFCLQRFC-QMMMGPOBSA-N 0 0 178.191 1.050 10 0 ADAERN Nc1ccc([S@@](=O)NC2CC2)cc1 82531047 169294135 /nfs/dbraw/zinc/29/41/35/169294135.db2.gz MANVGDREYCYESK-ZDUSSCGKSA-N 0 0 196.275 1.043 10 0 ADAERN Nc1ccc([C@@H]2CCCOC2)cn1 44122064 169294141 /nfs/dbraw/zinc/29/41/41/169294141.db2.gz LERXRGWLAZMUQE-SECBINFHSA-N 0 0 178.235 1.558 10 0 ADAERN Nc1ccc([C@@H]2CCOC2=O)cc1 75567250 169294172 /nfs/dbraw/zinc/29/41/72/169294172.db2.gz DFWDLXRELWZUOI-VIFPVBQESA-N 0 0 177.203 1.299 10 0 ADAERN Nc1ccc([C@H]2CCOC2=O)cc1 75567253 169294185 /nfs/dbraw/zinc/29/41/85/169294185.db2.gz DFWDLXRELWZUOI-SECBINFHSA-N 0 0 177.203 1.299 10 0 ADAERN Nc1ccc(S[C@@H]2CC(=O)N2)cc1 73162947 169294193 /nfs/dbraw/zinc/29/41/93/169294193.db2.gz JEBJEIPJXWATLG-SECBINFHSA-N 0 0 194.259 1.207 10 0 ADAERN Nc1ccc2cccnc2c1N 39119814 169294287 /nfs/dbraw/zinc/29/42/87/169294287.db2.gz UUCNOUOCQLCWFP-UHFFFAOYSA-N 0 0 159.192 1.399 10 0 ADAERN Nc1ccc2ccc(N)c(N)c2c1 62718505 169294313 /nfs/dbraw/zinc/29/43/13/169294313.db2.gz CNCIGUOYJQKMCN-UHFFFAOYSA-N 0 0 173.219 1.586 10 0 ADAERN Nc1ccc2c(c1)NCCC2=O 72188058 169294341 /nfs/dbraw/zinc/29/43/41/169294341.db2.gz WEZRETWSQFMEQQ-UHFFFAOYSA-N 0 0 162.192 1.267 10 0 ADAERN Nc1ccc2cccc(O)c2c1N 62718583 169294378 /nfs/dbraw/zinc/29/43/78/169294378.db2.gz AIWKIEDXXJDPLU-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1ccc2cccc(N)c2c1O 62718570 169294405 /nfs/dbraw/zinc/29/44/05/169294405.db2.gz HDTJMSLQGXZUEK-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1ccc2c(c1)C(=O)CCCO2 34475811 169294411 /nfs/dbraw/zinc/29/44/11/169294411.db2.gz JWFBPDRFXSFVAI-UHFFFAOYSA-N 0 0 177.203 1.624 10 0 ADAERN Nc1ccc2c(c1N)NCCC2 39136928 169294436 /nfs/dbraw/zinc/29/44/36/169294436.db2.gz UEWPTWVJUJOFRK-UHFFFAOYSA-N 0 0 163.224 1.209 10 0 ADAERN Nc1ccc2cc(O)ccc2c1O 62718695 169294440 /nfs/dbraw/zinc/29/44/40/169294440.db2.gz QQCBLSBGNNBMFZ-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1ccc2ccc(C=O)nc2n1 39123982 169294456 /nfs/dbraw/zinc/29/44/56/169294456.db2.gz QBIZUABIWCOSBM-UHFFFAOYSA-N 0 0 173.175 1.025 10 0 ADAERN Nc1ccc2c(c1)OCCCCO2 34338563 169294477 /nfs/dbraw/zinc/29/44/77/169294477.db2.gz NVQVAMMCIHEWJU-UHFFFAOYSA-N 0 0 179.219 1.820 10 0 ADAERN Nc1ccc2c(c1Cl)CCO2 82320407 169294485 /nfs/dbraw/zinc/29/44/85/169294485.db2.gz BNTZGHYONBNDKS-UHFFFAOYSA-N 0 0 169.611 1.857 10 0 ADAERN Nc1ccc2c(c1)N=CC2=O 211871908 169294488 /nfs/dbraw/zinc/29/44/88/169294488.db2.gz SZVZVHSHGJPYBE-UHFFFAOYSA-N 0 0 146.149 1.167 10 0 ADAERN Nc1ccc2c(c1N)CCCN2 39136118 169294489 /nfs/dbraw/zinc/29/44/89/169294489.db2.gz VITFOUZEIGGWMI-UHFFFAOYSA-N 0 0 163.224 1.209 10 0 ADAERN Nc1ccc2c(c1)NCCCO2 76973890 169294530 /nfs/dbraw/zinc/29/45/30/169294530.db2.gz ACQLBTYSFAKHAS-UHFFFAOYSA-N 0 0 164.208 1.463 10 0 ADAERN Nc1ccc2ccccn12 39078003 169294546 /nfs/dbraw/zinc/29/45/46/169294546.db2.gz ZKHXJOSLFPUSJY-UHFFFAOYSA-N 0 0 132.166 1.522 10 0 ADAERN Nc1ccc2c(c1)N(CCCO)CC2 43444328 169294548 /nfs/dbraw/zinc/29/45/48/169294548.db2.gz FWZMQKLPYVWETG-UHFFFAOYSA-N 0 0 192.262 1.014 10 0 ADAERN Nc1ccc2c(c1)CCN2CCCO 43444327 169294604 /nfs/dbraw/zinc/29/46/04/169294604.db2.gz LHDDKNWHBMGPEH-UHFFFAOYSA-N 0 0 192.262 1.014 10 0 ADAERN Nc1ccc2c(c1)CC=C2 18544225 169294648 /nfs/dbraw/zinc/29/46/48/169294648.db2.gz VUDZUYBRPVZLQY-UHFFFAOYSA-N 0 0 131.178 1.838 10 0 ADAERN Nc1ccc2cc(CO)ccc2c1 95755859 169294653 /nfs/dbraw/zinc/29/46/53/169294653.db2.gz CZPGEXFVAUMAID-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN Nc1ccc2cc[nH]c2c1N 89209130 169294667 /nfs/dbraw/zinc/29/46/67/169294667.db2.gz SACSJYCRGRHKEZ-UHFFFAOYSA-N 0 0 147.181 1.332 10 0 ADAERN Nc1ccc2c(c1)[nH]c(=O)n2C1CC1 83254063 169294682 /nfs/dbraw/zinc/29/46/82/169294682.db2.gz PQQYRRLDTFOATA-UHFFFAOYSA-N 0 0 189.218 1.247 10 0 ADAERN Nc1ccc2c(c1)C(=O)CCS2 82397012 169294687 /nfs/dbraw/zinc/29/46/87/169294687.db2.gz MQCVLBYIXAGLSX-UHFFFAOYSA-N 0 0 179.244 1.947 10 0 ADAERN Nc1ccc2c(c1)N=CCO2 95922915 169294699 /nfs/dbraw/zinc/29/46/99/169294699.db2.gz XMWLWTWAHMKWLV-UHFFFAOYSA-N 0 0 148.165 1.364 10 0 ADAERN Nc1ccc2c(c1)NCCS2 26509610 169294708 /nfs/dbraw/zinc/29/47/08/169294708.db2.gz MXOIDZBLYSMRGW-UHFFFAOYSA-N 0 0 166.249 1.786 10 0 ADAERN Nc1ccc2c(c1)C(=O)CCN2 44137484 169294718 /nfs/dbraw/zinc/29/47/18/169294718.db2.gz RBFLCZIHUAJKPG-UHFFFAOYSA-N 0 0 162.192 1.267 10 0 ADAERN Nc1ccc2cc(N)oc2c1 39048289 169294724 /nfs/dbraw/zinc/29/47/24/169294724.db2.gz SIIINSQKWDUJRI-UHFFFAOYSA-N 0 0 148.165 1.597 10 0 ADAERN Nc1ccc2c(c1)C(=O)N=N2 95922914 169294729 /nfs/dbraw/zinc/29/47/29/169294729.db2.gz KKWIDTABQVYSSL-UHFFFAOYSA-N 0 0 147.137 1.506 10 0 ADAERN Nc1ccc2c3c(cccc13)NC2=O 39244778 169294749 /nfs/dbraw/zinc/29/47/49/169294749.db2.gz IEFULBLJZWOTBA-UHFFFAOYSA-N 0 0 184.198 1.988 10 0 ADAERN Nc1ccc2cc(Cl)c(=O)[nH]c2n1 75598511 169294757 /nfs/dbraw/zinc/29/47/57/169294757.db2.gz MFXVEHXYUXLQCI-UHFFFAOYSA-N 0 0 195.609 1.159 10 0 ADAERN Nc1ccc2c(c1)nc1n2CCS1 75580221 169294779 /nfs/dbraw/zinc/29/47/79/169294779.db2.gz MJWMNMSANPKYCJ-UHFFFAOYSA-N 0 0 191.259 1.724 10 0 ADAERN Nc1ccc2c(c1)C(=O)c1cccn1-2 75576485 169294800 /nfs/dbraw/zinc/29/48/00/169294800.db2.gz DYZPQLPYVGBKCS-UHFFFAOYSA-N 0 0 184.198 1.604 10 0 ADAERN Nc1ccc2cc3c(nc2c1)OCC3 83253495 169294829 /nfs/dbraw/zinc/29/48/29/169294829.db2.gz HONSLDTZRRUYCT-UHFFFAOYSA-N 0 0 186.214 1.752 10 0 ADAERN Nc1ccc2c(c1)CCCCO2 40543825 169294830 /nfs/dbraw/zinc/29/48/30/169294830.db2.gz RRZMZDAHANSBQB-UHFFFAOYSA-N 0 0 163.220 1.984 10 0 ADAERN Nc1ccc2ccn(O)c2c1 39119639 169294844 /nfs/dbraw/zinc/29/48/44/169294844.db2.gz ABOXAPPMIRGCIO-UHFFFAOYSA-N 0 0 148.165 1.461 10 0 ADAERN Nc1ccc2c(c1)C1=NCCN1C=N2 105597509 169294882 /nfs/dbraw/zinc/29/48/82/169294882.db2.gz UQZKQARJNXPELA-UHFFFAOYSA-N 0 0 186.218 1.004 10 0 ADAERN Nc1ccc2c(c1)OCOC2 82840667 169294896 /nfs/dbraw/zinc/29/48/96/169294896.db2.gz AJJXWQPLJHUXGL-UHFFFAOYSA-N 0 0 151.165 1.135 10 0 ADAERN Nc1ccc2c(c1)C=CC2 18551704 169294903 /nfs/dbraw/zinc/29/49/03/169294903.db2.gz HXYTVQUCDXBNCR-UHFFFAOYSA-N 0 0 131.178 1.838 10 0 ADAERN Nc1ccc2c(c1)nnn2CC1CC1 95629118 169294937 /nfs/dbraw/zinc/29/49/37/169294937.db2.gz MCUFHNWYXIFUTC-UHFFFAOYSA-N 0 0 188.234 1.424 10 0 ADAERN Nc1ccc2c(cnn2C2CC2)c1 8699378 169294972 /nfs/dbraw/zinc/29/49/72/169294972.db2.gz BOVRXCNSBJYYDF-UHFFFAOYSA-N 0 0 173.219 1.953 10 0 ADAERN Nc1ccc2cc(O)ccc2n1 44185152 169295029 /nfs/dbraw/zinc/29/50/29/169295029.db2.gz SJKBCVLWQMQCOZ-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 in-vitro ADAERN Nc1ccc2ccc(O)cc2c1N 62718602 169295035 /nfs/dbraw/zinc/29/50/35/169295035.db2.gz GGERZRVNYKGFOT-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1ccc2cccc(O)c2c1O 62718702 169295038 /nfs/dbraw/zinc/29/50/38/169295038.db2.gz ZVTSBJLYZFJBGO-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1ccc2ccc(O)c(N)c2c1 32147659 169295068 /nfs/dbraw/zinc/29/50/68/169295068.db2.gz LWYNEQNVMPRDJP-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1ccc2c(c1)N(CC(F)F)CC2 37756111 169295109 /nfs/dbraw/zinc/29/51/09/169295109.db2.gz PMMQLUMBTDQUIN-UHFFFAOYSA-N 0 0 198.216 1.896 10 0 ADAERN Nc1ccc2c(c1)NC(=O)C2(F)F 95774144 169295110 /nfs/dbraw/zinc/29/51/10/169295110.db2.gz IXNXEUYBKZODDA-UHFFFAOYSA-N 0 0 184.145 1.313 10 0 ADAERN Nc1ccc2c(c1N)CCCC2=O 75566592 169295120 /nfs/dbraw/zinc/29/51/20/169295120.db2.gz WUXCSKBTEWOBBT-UHFFFAOYSA-N 0 0 176.219 1.370 10 0 ADAERN Nc1ccc2c(c1)CCS2 75539297 169295144 /nfs/dbraw/zinc/29/51/44/169295144.db2.gz IUUJHOHHSLZXIH-UHFFFAOYSA-N 0 0 151.234 1.917 10 0 ADAERN Nc1ccc2c(c1)CC(=O)CC2 33770200 169295152 /nfs/dbraw/zinc/29/51/52/169295152.db2.gz FHTVMTXPCSHMQY-UHFFFAOYSA-N 0 0 161.204 1.327 10 0 ADAERN Nc1ccc2c(c1)[nH]c1ccnn12 45238612 169295155 /nfs/dbraw/zinc/29/51/55/169295155.db2.gz ACOXSMSVAVKLFI-UHFFFAOYSA-N 0 0 172.191 1.398 10 0 ADAERN Nc1ccc2c(c1)C(=O)N=NC2=O 5933649 169295166 /nfs/dbraw/zinc/29/51/66/169295166.db2.gz KEMXZUFXVNATEV-UHFFFAOYSA-N 0 0 175.147 1.015 10 0 ADAERN Nc1ccc2c(c1)CCN2CC(F)F 37756110 169295175 /nfs/dbraw/zinc/29/51/75/169295175.db2.gz VKDRJGSILQJQDH-UHFFFAOYSA-N 0 0 198.216 1.896 10 0 ADAERN Nc1cccc(-c2cnc(N)cn2)c1 72191763 169295286 /nfs/dbraw/zinc/29/52/86/169295286.db2.gz CPMRTXMJJAJKRN-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc2sc(CO)nc2c1 75844632 169295298 /nfs/dbraw/zinc/29/52/98/169295298.db2.gz HQQIPRUDHZLBGN-UHFFFAOYSA-N 0 0 180.232 1.371 10 0 ADAERN Nc1cccc(-n2cccn2)c1F 75843660 169295314 /nfs/dbraw/zinc/29/53/14/169295314.db2.gz HPOUSUYFHZAZET-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1cccc(-c2nccc(=O)[nH]2)c1 71024843 169295328 /nfs/dbraw/zinc/29/53/28/169295328.db2.gz NBPQXUWXKFREPC-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1cccc(-c2ccoc2)n1 44118956 169295339 /nfs/dbraw/zinc/29/53/39/169295339.db2.gz WSIWFNXYWQANLD-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1cccc(-c2noc(CF)n2)c1 26466836 169295341 /nfs/dbraw/zinc/29/53/41/169295341.db2.gz MBXBPNWXFXRHRO-UHFFFAOYSA-N 0 0 193.181 1.788 10 0 ADAERN Nc1ccc2nc(CO)sc2c1 20417244 169295354 /nfs/dbraw/zinc/29/53/54/169295354.db2.gz LWIMHWMMFKUHEV-UHFFFAOYSA-N 0 0 180.232 1.371 10 0 ADAERN Nc1cccc(-c2cccnc2N)c1 82729951 169295355 /nfs/dbraw/zinc/29/53/55/169295355.db2.gz LBEKKGYQZRAUOI-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1ccc2nc3c(cc2c1)CCO3 32007890 169295359 /nfs/dbraw/zinc/29/53/59/169295359.db2.gz BGCARYYNHCAXRG-UHFFFAOYSA-N 0 0 186.214 1.752 10 0 ADAERN Nc1ccc2sc(=O)ccc2c1 82398288 169295390 /nfs/dbraw/zinc/29/53/90/169295390.db2.gz PAZYKMRHNOEJIU-UHFFFAOYSA-N 0 0 177.228 1.844 10 0 ADAERN Nc1cccc(-c2nnc(C=O)o2)c1 83341424 169295412 /nfs/dbraw/zinc/29/54/12/169295412.db2.gz QLFBLWOJIFFCDN-UHFFFAOYSA-N 0 0 189.174 1.131 10 0 ADAERN Nc1ccc2sc(C=O)nc2c1 82397848 169295420 /nfs/dbraw/zinc/29/54/20/169295420.db2.gz LRPRYTUAHAXVOD-UHFFFAOYSA-N 0 0 178.216 1.691 10 0 ADAERN Nc1cccc(-n2ccnc2)c1F 75843662 169295448 /nfs/dbraw/zinc/29/54/48/169295448.db2.gz MBAYCVVYTXKQKA-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1cccc(-c2nc(N)cs2)c1 72191748 169295462 /nfs/dbraw/zinc/29/54/62/169295462.db2.gz BMSGPXRIRMXNSE-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1cccc(-c2nccnn2)c1 32006646 169295475 /nfs/dbraw/zinc/29/54/75/169295475.db2.gz KADWZQXLHZHFJV-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccc2n1-c1ccccc1C2 107101022 169295482 /nfs/dbraw/zinc/29/54/82/169295482.db2.gz KJXAHXVCDBMHOV-UHFFFAOYSA-N 0 0 170.215 1.964 10 0 ADAERN Nc1cccc(-c2cc(=O)[nH]cn2)c1 82529988 169295484 /nfs/dbraw/zinc/29/54/84/169295484.db2.gz DHLMCCDHMMPQDK-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1cccc(-c2csc(=O)[nH]2)c1 31917788 169295487 /nfs/dbraw/zinc/29/54/87/169295487.db2.gz QTOCTAZFHNLTNA-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN Nc1cccc(C(=O)C(F)(F)F)n1 95642378 169295537 /nfs/dbraw/zinc/29/55/37/169295537.db2.gz LBTLMQKERRVMEI-UHFFFAOYSA-N 0 0 190.124 1.409 10 0 ADAERN Nc1ccc2occc2n1 18551784 169295556 /nfs/dbraw/zinc/29/55/56/169295556.db2.gz XIBMUFPRAWVVLC-UHFFFAOYSA-N 0 0 134.138 1.410 10 0 ADAERN Nc1cccc(-c2ccnc(N)c2)c1 82729970 169295559 /nfs/dbraw/zinc/29/55/59/169295559.db2.gz YAKAJBHWKMXMMQ-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1cccc(-c2ccc[nH]c2=O)c1 65337622 169295593 /nfs/dbraw/zinc/29/55/93/169295593.db2.gz WPMRVZXMHCMBCL-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1ccc2oc(C=O)cc2c1 82405202 169295608 /nfs/dbraw/zinc/29/56/08/169295608.db2.gz SNZVPNHKEKLGLE-UHFFFAOYSA-N 0 0 161.160 1.828 10 0 ADAERN Nc1cccc(-c2cc(N)n[nH]2)c1 75879909 169295634 /nfs/dbraw/zinc/29/56/34/169295634.db2.gz DAAYDDQBUJOYDY-UHFFFAOYSA-N 0 0 174.207 1.241 10 0 ADAERN Nc1ccc2occ(C=O)c2c1 82405213 169295677 /nfs/dbraw/zinc/29/56/77/169295677.db2.gz SOEBBUXGRBVHOJ-UHFFFAOYSA-N 0 0 161.160 1.828 10 0 ADAERN Nc1cccc(-c2ncc(N)s2)c1 72191742 169295694 /nfs/dbraw/zinc/29/56/94/169295694.db2.gz HGMKGSNZTSNVMJ-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1cccc(-c2ncno2)c1 40454056 169295705 /nfs/dbraw/zinc/29/57/05/169295705.db2.gz BRVLOGROXUQTIH-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cccc(-c2cnns2)c1 82398270 169295712 /nfs/dbraw/zinc/29/57/12/169295712.db2.gz PJVBVZWYSGVZQC-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc2ncsc2n1 39134463 169295739 /nfs/dbraw/zinc/29/57/39/169295739.db2.gz FYLFPXIWHIKBMY-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1cccc(-c2ccc(N)nn2)c1 72204673 169295749 /nfs/dbraw/zinc/29/57/49/169295749.db2.gz IJQNMSJPZISRKT-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc2sc(=O)[nH]c2c1 45236046 169295753 /nfs/dbraw/zinc/29/57/53/169295753.db2.gz RNIIVXCSQPGXAF-UHFFFAOYSA-N 0 0 166.205 1.172 10 0 ADAERN Nc1cccc(-c2c[nH]c(=O)s2)c1 72204701 169295771 /nfs/dbraw/zinc/29/57/71/169295771.db2.gz YAIQUAHVIBOLNJ-UHFFFAOYSA-N 0 0 192.243 1.686 10 0 ADAERN Nc1ccc2ncc(N)cc2c1 39117977 169295774 /nfs/dbraw/zinc/29/57/74/169295774.db2.gz NJOLJFORGJDQKW-UHFFFAOYSA-N 0 0 159.192 1.399 10 0 ADAERN Nc1ccc2cnccc2c1O 39119788 169295781 /nfs/dbraw/zinc/29/57/81/169295781.db2.gz QGBNLXMBXBKEEY-UHFFFAOYSA-N 0 0 160.176 1.523 10 0 ADAERN Nc1cccc(-c2cnc(N)s2)c1 72204642 169295787 /nfs/dbraw/zinc/29/57/87/169295787.db2.gz PYDSUYZBSSNOPN-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1ccc2cnn(C3CC3)c2c1 89197371 169295793 /nfs/dbraw/zinc/29/57/93/169295793.db2.gz JLDJPGFNUFZVGL-UHFFFAOYSA-N 0 0 173.219 1.953 10 0 ADAERN Nc1cccc(-c2cc(CO)[nH]n2)c1 35323190 169295799 /nfs/dbraw/zinc/29/57/99/169295799.db2.gz ZWMVMYGFOFOQHT-UHFFFAOYSA-N 0 0 189.218 1.151 10 0 ADAERN Nc1ccc2nc3n(c2c1)CCS3 75580222 169295814 /nfs/dbraw/zinc/29/58/14/169295814.db2.gz AKZRDPGMOPQGJO-UHFFFAOYSA-N 0 0 191.259 1.724 10 0 ADAERN Nc1ccc2sccc2n1 39048607 169295855 /nfs/dbraw/zinc/29/58/55/169295855.db2.gz KLVXXFGBNUEIES-UHFFFAOYSA-N 0 0 150.206 1.879 10 0 ADAERN Nc1ccc2nocc2c1 18561916 169295874 /nfs/dbraw/zinc/29/58/74/169295874.db2.gz BGVMAYCRZISBOC-UHFFFAOYSA-N 0 0 134.138 1.410 10 0 ADAERN Nc1cccc(-c2ccc(N)nc2)c1 44121265 169295884 /nfs/dbraw/zinc/29/58/84/169295884.db2.gz VFIDYXVNXZIHOL-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1cccc(-c2cnc(N)nc2)c1 96312476 169295904 /nfs/dbraw/zinc/29/59/04/169295904.db2.gz RGGDATRAQXMTDI-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1cccc(-c2cnoc2)c1 82522569 169295910 /nfs/dbraw/zinc/29/59/10/169295910.db2.gz JFTUHBPSVJNTEY-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1cccc(-c2nnc(N)s2)c1 82530583 169295915 /nfs/dbraw/zinc/29/59/15/169295915.db2.gz HXAIQIBDROSTKA-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1ccc2ccsc2n1 39048658 169295916 /nfs/dbraw/zinc/29/59/16/169295916.db2.gz FWAHAYWQMSIBEC-UHFFFAOYSA-N 0 0 150.206 1.879 10 0 ADAERN Nc1cccc(-c2cc(=O)[nH][nH]2)c1 15635526 169295948 /nfs/dbraw/zinc/29/59/48/169295948.db2.gz VWPAVOLOAHIWOD-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN Nc1ccc2[nH]c(-c3cc[nH]n3)nc2c1 38812194 169295959 /nfs/dbraw/zinc/29/59/59/169295959.db2.gz OBWXXKWZWFYDLB-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Nc1cccc(-c2nccc(N)n2)c1 70628894 169295976 /nfs/dbraw/zinc/29/59/76/169295976.db2.gz ZLRGVEXIOCJBFK-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1cccc(-c2cnc(=O)[nH]c2)c1 65344490 169295993 /nfs/dbraw/zinc/29/59/93/169295993.db2.gz JHRHEJAWJNCGJW-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccc2scc(CO)c2c1 95077284 169295995 /nfs/dbraw/zinc/29/59/95/169295995.db2.gz JJSIRUUVUPNMOH-UHFFFAOYSA-N 0 0 179.244 1.976 10 0 ADAERN Nc1cccc(-c2cscn2)n1 44120319 169296052 /nfs/dbraw/zinc/29/60/52/169296052.db2.gz BEQACFIWCBOGOM-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc2onc(C=O)c2c1 82404947 169296076 /nfs/dbraw/zinc/29/60/76/169296076.db2.gz FOVGQTDFLPCVGL-UHFFFAOYSA-N 0 0 162.148 1.223 10 0 ADAERN Nc1ccc2ncnc-2cc1 198647022 169296084 /nfs/dbraw/zinc/29/60/84/169296084.db2.gz OSVUAIOICBRLRF-UHFFFAOYSA-N 0 0 145.165 1.164 10 0 ADAERN Nc1cccc(-c2ncncn2)c1 82529245 169296087 /nfs/dbraw/zinc/29/60/87/169296087.db2.gz SPLJRKUUJIOUQJ-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cccc(-c2cc(=O)cc[nH]2)c1 65355589 169296128 /nfs/dbraw/zinc/29/61/28/169296128.db2.gz SPMICLDLHSVMIA-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1cccc(-n2cccc2)n1 72192466 169296151 /nfs/dbraw/zinc/29/61/51/169296151.db2.gz NVCPHSLDIGERER-UHFFFAOYSA-N 0 0 159.192 1.455 10 0 ADAERN Nc1ccc2scnc2c1O 85436286 169296159 /nfs/dbraw/zinc/29/61/59/169296159.db2.gz HVPOUBWYFMTOHE-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN Nc1cccc(-c2nc(CO)c[nH]2)c1 58824311 169296165 /nfs/dbraw/zinc/29/61/65/169296165.db2.gz XVGPLROOOFZRFS-UHFFFAOYSA-N 0 0 189.218 1.151 10 0 ADAERN Nc1cccc(-c2cncc(N)n2)c1 72191761 169296183 /nfs/dbraw/zinc/29/61/83/169296183.db2.gz COBZLPWXVAILJN-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccc2nc(C=O)oc2c1 75844316 169296201 /nfs/dbraw/zinc/29/62/01/169296201.db2.gz KATFJLBDVOZVDM-UHFFFAOYSA-N 0 0 162.148 1.223 10 0 ADAERN Nc1cccc(CCc2ncc[nH]2)c1 78128400 169296247 /nfs/dbraw/zinc/29/62/47/169296247.db2.gz BCAJYSQAAMKALM-UHFFFAOYSA-N 0 0 187.246 1.777 10 0 ADAERN Nc1cccc([C@@H](N)C(F)(F)F)c1 72191391 169296251 /nfs/dbraw/zinc/29/62/51/169296251.db2.gz GZGINCNYZAQOMU-SSDOTTSWSA-N 0 0 190.168 1.831 10 0 ADAERN Nc1cccc(OC[C@H]2CCCO2)n1 87731654 169296255 /nfs/dbraw/zinc/29/62/55/169296255.db2.gz XIWUJEBIXQPPMM-MRVPVSSYSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1cccc(OCc2ncc[nH]2)c1 82530213 169296257 /nfs/dbraw/zinc/29/62/57/169296257.db2.gz HZNTWRISYVXONJ-UHFFFAOYSA-N 0 0 189.218 1.571 10 0 ADAERN Nc1cccc(N2CCCOCC2)c1 61916857 169296262 /nfs/dbraw/zinc/29/62/62/169296262.db2.gz NXVNZFDLKOJWCD-UHFFFAOYSA-N 0 0 192.262 1.496 10 0 ADAERN Nc1cccc(CSCCCO)c1 77019320 169296279 /nfs/dbraw/zinc/29/62/79/169296279.db2.gz IUVJSHGOPAEYRT-UHFFFAOYSA-N 0 0 197.303 1.884 10 0 ADAERN Nc1cccc(CC(F)(F)F)c1N 95774374 169296297 /nfs/dbraw/zinc/29/62/97/169296297.db2.gz ITUMLDAFDQETIN-UHFFFAOYSA-N 0 0 190.168 1.956 10 0 ADAERN Nc1cccc(C[C@H]2CCC(=O)N2)c1 82390356 169296301 /nfs/dbraw/zinc/29/63/01/169296301.db2.gz WPNAFBZVMZVVOS-SNVBAGLBSA-N 0 0 190.246 1.090 10 0 ADAERN Nc1cccc(OC2CCCC2)n1 72192462 169296310 /nfs/dbraw/zinc/29/63/10/169296310.db2.gz XERHSLFKRRGSOI-UHFFFAOYSA-N 0 0 178.235 1.985 10 0 ADAERN Nc1cccc(OCc2ccno2)c1 38055311 169296361 /nfs/dbraw/zinc/29/63/61/169296361.db2.gz PFCUCXBWDQURMX-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1cccc(NC2CCOCC2)c1 36319220 169296370 /nfs/dbraw/zinc/29/63/70/169296370.db2.gz SMBACAOTDOCHKY-UHFFFAOYSA-N 0 0 192.262 1.860 10 0 ADAERN Nc1cccc(Cl)c1-n1ccnn1 22149842 169296383 /nfs/dbraw/zinc/29/63/83/169296383.db2.gz UXXZEJIZLUTAPV-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cccc(O[C@@H]2CCC[C@H]2O)c1 38055339 169296392 /nfs/dbraw/zinc/29/63/92/169296392.db2.gz ADHZMKHYZCEACG-GHMZBOCLSA-N 0 0 193.246 1.561 10 0 ADAERN Nc1cccc(C=O)c1Cl 91365372 169296394 /nfs/dbraw/zinc/29/63/94/169296394.db2.gz DDHJFVBHCHVRRS-UHFFFAOYSA-N 0 0 155.584 1.735 10 0 ADAERN Nc1cccc(SCCO)c1 37668203 169296430 /nfs/dbraw/zinc/29/64/30/169296430.db2.gz DGUUUMZJGDNBAC-UHFFFAOYSA-N 0 0 169.249 1.353 10 0 ADAERN Nc1cccc(Nc2cnccn2)c1 19802480 169296444 /nfs/dbraw/zinc/29/64/44/169296444.db2.gz XFLZEYFCBYVVMK-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1cccc(C2CCOCC2)n1 44122014 169296478 /nfs/dbraw/zinc/29/64/78/169296478.db2.gz SPORSFQEAPPLMF-UHFFFAOYSA-N 0 0 178.235 1.558 10 0 ADAERN Nc1cccc(OC[C@@H]2CCOC2)c1 41045903 169296485 /nfs/dbraw/zinc/29/64/85/169296485.db2.gz ZJFQAZQAQSMHET-SECBINFHSA-N 0 0 193.246 1.684 10 0 ADAERN Nc1cccc(O[C@@H]2CCC[C@@H]2O)c1 38055337 169296489 /nfs/dbraw/zinc/29/64/89/169296489.db2.gz ADHZMKHYZCEACG-WDEREUQCSA-N 0 0 193.246 1.561 10 0 ADAERN Nc1cccc(Cl)c1NCCO 19894603 169296507 /nfs/dbraw/zinc/29/65/07/169296507.db2.gz WCCDTLCLGOIWAR-UHFFFAOYSA-N 0 0 186.642 1.326 10 0 ADAERN Nc1cccc(C[C@H]2CCCO2)c1 82398267 169296509 /nfs/dbraw/zinc/29/65/09/169296509.db2.gz CXIMMNXNLKJUIM-LLVKDONJSA-N 0 0 177.247 1.990 10 0 ADAERN Nc1cccc(C(=O)OC2CCC2)c1 50928983 169296512 /nfs/dbraw/zinc/29/65/12/169296512.db2.gz AJKCQBDYSGRLNH-UHFFFAOYSA-N 0 0 191.230 1.978 10 0 ADAERN Nc1cccc(CC(F)(F)F)n1 95774367 169296527 /nfs/dbraw/zinc/29/65/27/169296527.db2.gz IGSZOJHZNMNIRM-UHFFFAOYSA-N 0 0 176.141 1.769 10 0 ADAERN Nc1cccc(OC[C@H]2CCOC2)n1 87731806 169296530 /nfs/dbraw/zinc/29/65/30/169296530.db2.gz CJDGSDDAPOSWIZ-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1cccc(Cc2cnco2)c1 83254687 169296532 /nfs/dbraw/zinc/29/65/32/169296532.db2.gz DFGGVIGFTJWMHO-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1cccc(OCc2ncco2)c1 82530313 169296538 /nfs/dbraw/zinc/29/65/38/169296538.db2.gz FXHZCSHHVAYWEI-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1cccc(F)c1-c1ncno1 40454085 169296542 /nfs/dbraw/zinc/29/65/42/169296542.db2.gz ZNWXVYSCBZVXNG-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Nc1cccc(CCc2nnc[nH]2)c1 82530160 169296548 /nfs/dbraw/zinc/29/65/48/169296548.db2.gz MXCOPUYFNBNNQN-UHFFFAOYSA-N 0 0 188.234 1.172 10 0 ADAERN Nc1cccc(CF)n1 72230952 169296554 /nfs/dbraw/zinc/29/65/54/169296554.db2.gz FNEFJYNCMVLXAK-UHFFFAOYSA-N 0 0 126.134 1.133 10 0 ADAERN Nc1cccc(Oc2cncnc2)c1 83252070 169296602 /nfs/dbraw/zinc/29/66/02/169296602.db2.gz NURJGCQYVWSNEW-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN Nc1cccc(N2C(=O)N=NC2=O)c1 40025264 169296614 /nfs/dbraw/zinc/29/66/14/169296614.db2.gz WXOLRUOEZQCVGW-UHFFFAOYSA-N 0 0 190.162 1.781 10 0 ADAERN Nc1cccc(OC[C@@H]2CO2)c1 39089559 169296649 /nfs/dbraw/zinc/29/66/49/169296649.db2.gz BZIKFXDSIMRAIL-SECBINFHSA-N 0 0 165.192 1.046 10 0 ADAERN Nc1cccc(C(=O)OCC2CC2)c1 48481811 169296672 /nfs/dbraw/zinc/29/66/72/169296672.db2.gz PFPXXCWLQJLXQR-UHFFFAOYSA-N 0 0 191.230 1.836 10 0 ADAERN Nc1cccc(OCCCCCO)c1 51019533 169296679 /nfs/dbraw/zinc/29/66/79/169296679.db2.gz IIRGSODTXOZATH-UHFFFAOYSA-N 0 0 195.262 1.810 10 0 ADAERN Nc1cccc(OCc2ncon2)c1 38055313 169296691 /nfs/dbraw/zinc/29/66/91/169296691.db2.gz DGTORWHPYCOSBO-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1cccc(OC[C@H]2CO2)c1 210199903 169296706 /nfs/dbraw/zinc/29/67/06/169296706.db2.gz BZIKFXDSIMRAIL-VIFPVBQESA-N 0 0 165.192 1.046 10 0 ADAERN Nc1cccc(OC2CC2)c1C=O 95738265 169296710 /nfs/dbraw/zinc/29/67/10/169296710.db2.gz JVEBTGGVMBEBMB-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1cccc(NCc2cn[nH]c2)c1 42358521 169296717 /nfs/dbraw/zinc/29/67/17/169296717.db2.gz QAZWMELLHCBITR-UHFFFAOYSA-N 0 0 188.234 1.604 10 0 ADAERN Nc1cccc(Sc2nc[nH]n2)c1 37668111 169296734 /nfs/dbraw/zinc/29/67/34/169296734.db2.gz KIROPRJVYFHOBH-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1cccc(O[C@H]2CCC[C@H]2O)c1 38055340 169296739 /nfs/dbraw/zinc/29/67/39/169296739.db2.gz ADHZMKHYZCEACG-MNOVXSKESA-N 0 0 193.246 1.561 10 0 ADAERN Nc1cccc(Cc2c[nH]cn2)c1 104397971 169296741 /nfs/dbraw/zinc/29/67/41/169296741.db2.gz UPHNYQZOJVXYOF-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN Nc1cccc(Cc2nccnn2)c1 82529941 169296745 /nfs/dbraw/zinc/29/67/45/169296745.db2.gz PLGBRNBUHPXQAV-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1cccc(C=O)c1OC1CC1 95741511 169296760 /nfs/dbraw/zinc/29/67/60/169296760.db2.gz IYJMAHZNAMDENJ-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Nc1cccc(OC2CC2)c1N 95737515 169296769 /nfs/dbraw/zinc/29/67/69/169296769.db2.gz JGFYVXFIMGXGHN-UHFFFAOYSA-N 0 0 164.208 1.392 10 0 ADAERN Nc1cccc(Cc2ncco2)c1 82529306 169296780 /nfs/dbraw/zinc/29/67/80/169296780.db2.gz UDDVHJWLCGTDOF-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1cccc(N)c1OC1CC1 95737278 169296784 /nfs/dbraw/zinc/29/67/84/169296784.db2.gz MDMUZNYJYHIKAC-UHFFFAOYSA-N 0 0 164.208 1.392 10 0 ADAERN Nc1cccc(O)c1OCC1CC1 95713878 169296862 /nfs/dbraw/zinc/29/68/62/169296862.db2.gz DLQGGJBFTXBJCC-UHFFFAOYSA-N 0 0 179.219 1.763 10 0 ADAERN Nc1cccc(C[C@@H]2CCC(=O)N2)c1 82390355 169296877 /nfs/dbraw/zinc/29/68/77/169296877.db2.gz WPNAFBZVMZVVOS-JTQLQIEISA-N 0 0 190.246 1.090 10 0 ADAERN Nc1cccc(NC[C@H]2CCOC2)c1 61146672 169296878 /nfs/dbraw/zinc/29/68/78/169296878.db2.gz YOAOEEFLIFQPRD-SECBINFHSA-N 0 0 192.262 1.717 10 0 ADAERN Nc1cccc(Nc2cccnn2)c1 52815778 169296886 /nfs/dbraw/zinc/29/68/86/169296886.db2.gz RWOORGLQQVLOSY-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1cccc(OCc2ncno2)c1 38055067 169296890 /nfs/dbraw/zinc/29/68/90/169296890.db2.gz YYQWHOARBJHDAJ-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1cccc(Nc2ccncn2)c1 40862849 169296904 /nfs/dbraw/zinc/29/69/04/169296904.db2.gz OYUNUHGPDDBYES-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1cccc(C(=O)c2cccnc2)c1 39342848 169296919 /nfs/dbraw/zinc/29/69/19/169296919.db2.gz FOHMCNMHVRYMAK-UHFFFAOYSA-N 0 0 198.225 1.895 10 0 ADAERN Nc1cccc(OC[C@@H]2CCOC2)n1 87731804 169296975 /nfs/dbraw/zinc/29/69/75/169296975.db2.gz CJDGSDDAPOSWIZ-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1cccc(Cc2ncccn2)c1 40542894 169296983 /nfs/dbraw/zinc/29/69/83/169296983.db2.gz ZVJVRMCSHFRGPM-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1cccc(NCc2cc[nH]n2)c1 41014287 169296987 /nfs/dbraw/zinc/29/69/87/169296987.db2.gz NFSMBJYUDBQBBH-UHFFFAOYSA-N 0 0 188.234 1.604 10 0 ADAERN Nc1cccc(F)c1O[C@@H]1CCOC1 90600633 169296999 /nfs/dbraw/zinc/29/69/99/169296999.db2.gz PSVWCVYTLCWPGC-SSDOTTSWSA-N 0 0 197.209 1.576 10 0 ADAERN Nc1cccc(N2CCC[C@H]2CO)c1 42433985 169297009 /nfs/dbraw/zinc/29/70/09/169297009.db2.gz HXSVLIXATBEDIR-NSHDSACASA-N 0 0 192.262 1.230 10 0 ADAERN Nc1cccc(Nc2ncccn2)c1 19425710 169297027 /nfs/dbraw/zinc/29/70/27/169297027.db2.gz VCVSIPCBPPDBFM-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1cccc(OCC2CC2)c1N 39953803 169297051 /nfs/dbraw/zinc/29/70/51/169297051.db2.gz RKUNSDFMDAXLFN-UHFFFAOYSA-N 0 0 178.235 1.640 10 0 ADAERN Nc1cccc(N(CCO)C2CC2)c1 42478974 169297055 /nfs/dbraw/zinc/29/70/55/169297055.db2.gz ZQKHXWIQPRCPDE-UHFFFAOYSA-N 0 0 192.262 1.230 10 0 ADAERN Nc1cccc(C2(CO)CC2)c1 71478649 169297092 /nfs/dbraw/zinc/29/70/92/169297092.db2.gz SCPGTXSWOPYILE-UHFFFAOYSA-N 0 0 163.220 1.293 10 0 ADAERN Nc1cccc(Cc2ncncn2)c1 82529942 169297118 /nfs/dbraw/zinc/29/71/18/169297118.db2.gz RWRGNENJCWZYHQ-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1cccc(Cc2ncc[nH]2)c1 82529277 169297125 /nfs/dbraw/zinc/29/71/25/169297125.db2.gz JAZDNULFTZOALN-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN Nc1cccc(Oc2ccncn2)c1 40542917 169297128 /nfs/dbraw/zinc/29/71/28/169297128.db2.gz VTLOQULRMBMPDF-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN Nc1cccc(F)c1O[C@H]1CCOC1 90600638 169297132 /nfs/dbraw/zinc/29/71/32/169297132.db2.gz PSVWCVYTLCWPGC-ZETCQYMHSA-N 0 0 197.209 1.576 10 0 ADAERN Nc1cccc(O[C@H]2CCC[C@@H]2O)c1 38055338 169297135 /nfs/dbraw/zinc/29/71/35/169297135.db2.gz ADHZMKHYZCEACG-QWRGUYRKSA-N 0 0 193.246 1.561 10 0 ADAERN Nc1cccc(C[C@@H]2CCCO2)c1 82398266 169297143 /nfs/dbraw/zinc/29/71/43/169297143.db2.gz CXIMMNXNLKJUIM-NSHDSACASA-N 0 0 177.247 1.990 10 0 ADAERN Nc1cccc(Cc2nc(O)c[nH]2)c1 105866454 169297166 /nfs/dbraw/zinc/29/71/66/169297166.db2.gz CZESKRXYOHAMTM-UHFFFAOYSA-N 0 0 189.218 1.288 10 0 ADAERN Nc1cccc(O)c1CC1CC1 95723990 169297181 /nfs/dbraw/zinc/29/71/81/169297181.db2.gz URCLHRIZSCFWNR-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1cccc(OC[C@H]2CCOC2)c1 41045904 169297198 /nfs/dbraw/zinc/29/71/98/169297198.db2.gz ZJFQAZQAQSMHET-VIFPVBQESA-N 0 0 193.246 1.684 10 0 ADAERN Nc1cccc(NC[C@@H]2CCOC2)c1 61146671 169297200 /nfs/dbraw/zinc/29/72/00/169297200.db2.gz YOAOEEFLIFQPRD-VIFPVBQESA-N 0 0 192.262 1.717 10 0 ADAERN Nc1cccc(CC2CC2)c1O 95713898 169297202 /nfs/dbraw/zinc/29/72/02/169297202.db2.gz UGBRSFSKGVFFOK-UHFFFAOYSA-N 0 0 163.220 1.927 10 0 ADAERN Nc1cccc(N2CCC[C@@H]2CO)c1 42433984 169297209 /nfs/dbraw/zinc/29/72/09/169297209.db2.gz HXSVLIXATBEDIR-LLVKDONJSA-N 0 0 192.262 1.230 10 0 ADAERN Nc1cccc(OC2CCC2)n1 72192463 169297224 /nfs/dbraw/zinc/29/72/24/169297224.db2.gz SXMORUZBQAJDEL-UHFFFAOYSA-N 0 0 164.208 1.595 10 0 ADAERN Nc1cccc(OCc2nnco2)c1 32008343 169297235 /nfs/dbraw/zinc/29/72/35/169297235.db2.gz BQWUZIPHIVKFMS-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1cccc(OC2CC2)c1F 95737509 169297248 /nfs/dbraw/zinc/29/72/48/169297248.db2.gz TZUQBULOLUZCCO-UHFFFAOYSA-N 0 0 167.183 1.949 10 0 ADAERN Nc1cccc(OC[C@@H]2CCCO2)n1 87731652 169297253 /nfs/dbraw/zinc/29/72/53/169297253.db2.gz XIWUJEBIXQPPMM-QMMMGPOBSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1cccc(O)c1C(F)(F)F 34768521 169297255 /nfs/dbraw/zinc/29/72/55/169297255.db2.gz RUNYOYJSBYNOMZ-UHFFFAOYSA-N 0 0 177.125 1.993 10 0 ADAERN Nc1cccc([C@@H]2CCC(=O)NC2)c1 82883170 169297267 /nfs/dbraw/zinc/29/72/67/169297267.db2.gz MBRVTFHNCKAYSG-SECBINFHSA-N 0 0 190.246 1.262 10 0 ADAERN Nc1cccc(C(=O)OC(F)F)c1 41047859 169297276 /nfs/dbraw/zinc/29/72/76/169297276.db2.gz BQHIUOQUUVBOKD-UHFFFAOYSA-N 0 0 187.145 1.648 10 0 ADAERN Nc1cccc(CSCCO)c1 36335936 169297282 /nfs/dbraw/zinc/29/72/82/169297282.db2.gz WDRNQFKBOWIAGL-UHFFFAOYSA-N 0 0 183.276 1.494 10 0 ADAERN Nc1cccc2c1NCC=C2 5933612 169297310 /nfs/dbraw/zinc/29/73/10/169297310.db2.gz PFXIHWMQWDUAGJ-UHFFFAOYSA-N 0 0 146.193 1.708 10 0 ADAERN Nc1cccc2nocc12 82410935 169297313 /nfs/dbraw/zinc/29/73/13/169297313.db2.gz XTAUXNLZQZSYMI-UHFFFAOYSA-N 0 0 134.138 1.410 10 0 ADAERN Nc1cccc2[nH]c(=S)[nH]c12 89195086 169297333 /nfs/dbraw/zinc/29/73/33/169297333.db2.gz SABUZSDYMGTMKT-UHFFFAOYSA-N 0 0 165.221 1.808 10 0 ADAERN Nc1cccc2c1OCOC2 24626243 169297347 /nfs/dbraw/zinc/29/73/47/169297347.db2.gz YQRAWDHNEAQVMV-UHFFFAOYSA-N 0 0 151.165 1.135 10 0 ADAERN Nc1cccc2c1NC(=O)CS2 75570029 169297352 /nfs/dbraw/zinc/29/73/52/169297352.db2.gz PLIKCUKJAAUGHJ-UHFFFAOYSA-N 0 0 180.232 1.313 10 0 ADAERN Nc1cccc2cnc(F)cc12 39088946 169297357 /nfs/dbraw/zinc/29/73/57/169297357.db2.gz LGVOSSHEFDYERT-UHFFFAOYSA-N 0 0 162.167 1.956 10 0 ADAERN Nc1ccccc1-c1cc(=O)[nH][nH]1 82399114 169297368 /nfs/dbraw/zinc/29/73/68/169297368.db2.gz AUKISCGYCMHKFU-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN Nc1cccc2[nH]cc(C=O)c12 35635689 169297373 /nfs/dbraw/zinc/29/73/73/169297373.db2.gz XJOFCIZUJHFJBA-UHFFFAOYSA-N 0 0 160.176 1.563 10 0 ADAERN Nc1cccc([C@@H]2NC(=O)CS2)c1 21160914 169297378 /nfs/dbraw/zinc/29/73/78/169297378.db2.gz VYGDGHCKJMIBAB-SECBINFHSA-N 0 0 194.259 1.130 10 0 ADAERN Nc1cccc2c1C[N@H+](CC1CC1)C2 36683609 169297395 /nfs/dbraw/zinc/29/73/95/169297395.db2.gz KWGOPNHMBFUVLF-UHFFFAOYSA-N 0 0 188.274 1.994 10 0 ADAERN Nc1cccc2c1COCO2 24624772 169297423 /nfs/dbraw/zinc/29/74/23/169297423.db2.gz CHCWUEVKQOVDIX-UHFFFAOYSA-N 0 0 151.165 1.135 10 0 ADAERN Nc1cccc([C@@H]2CCOC2)n1 44121931 169297439 /nfs/dbraw/zinc/29/74/39/169297439.db2.gz BPUQUJYWUWFZBK-SSDOTTSWSA-N 0 0 164.208 1.168 10 0 ADAERN Nc1cccc2c1OCCCC2=O 82398433 169297460 /nfs/dbraw/zinc/29/74/60/169297460.db2.gz IHHIQVXTVSTRPN-UHFFFAOYSA-N 0 0 177.203 1.624 10 0 ADAERN Nc1cccc2nnsc12 82408132 169297515 /nfs/dbraw/zinc/29/75/15/169297515.db2.gz XQCZRCITUIOCHI-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1cccc2c1SCC2 82407908 169297532 /nfs/dbraw/zinc/29/75/32/169297532.db2.gz JCVKIWWAMUGSNB-UHFFFAOYSA-N 0 0 151.234 1.917 10 0 ADAERN Nc1cccc2c(N)c(O)ccc12 62718593 169297534 /nfs/dbraw/zinc/29/75/34/169297534.db2.gz CGTQBMCKXASLOI-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1cccc([C@H]2CCCOC2)n1 44122050 169297542 /nfs/dbraw/zinc/29/75/42/169297542.db2.gz VTZXKLNAYQBPCO-QMMMGPOBSA-N 0 0 178.235 1.558 10 0 ADAERN Nc1cccc([C@@H]2CCCOC2)n1 44122046 169297550 /nfs/dbraw/zinc/29/75/50/169297550.db2.gz VTZXKLNAYQBPCO-MRVPVSSYSA-N 0 0 178.235 1.558 10 0 ADAERN Nc1cccc([C@H]2CCCO2)n1 72193310 169297570 /nfs/dbraw/zinc/29/75/70/169297570.db2.gz JKPYXIQTNZLBNE-MRVPVSSYSA-N 0 0 164.208 1.515 10 0 ADAERN Nc1cccc([C@H]2CNC(=O)O2)c1 75456280 169297576 /nfs/dbraw/zinc/29/75/76/169297576.db2.gz BIPKZDLYGSCORS-MRVPVSSYSA-N 0 0 178.191 1.050 10 0 ADAERN Nc1cccc2c1NCCN2 24625794 169297592 /nfs/dbraw/zinc/29/75/92/169297592.db2.gz JYPZEZKWBAEHJG-UHFFFAOYSA-N 0 0 149.197 1.106 10 0 ADAERN Nc1cccc2cncc(N)c12 34189545 169297618 /nfs/dbraw/zinc/29/76/18/169297618.db2.gz GTLMOPKLVYFYNR-UHFFFAOYSA-N 0 0 159.192 1.399 10 0 ADAERN Nc1cccc([C@H]2CCC(=O)NC2)c1 82883171 169297645 /nfs/dbraw/zinc/29/76/45/169297645.db2.gz MBRVTFHNCKAYSG-VIFPVBQESA-N 0 0 190.246 1.262 10 0 ADAERN Nc1cccc([C@H](N)C(F)(F)F)c1 72191392 169297648 /nfs/dbraw/zinc/29/76/48/169297648.db2.gz GZGINCNYZAQOMU-ZETCQYMHSA-N 0 0 190.168 1.831 10 0 ADAERN Nc1cccc([C@@H]2CNC(=O)O2)c1 75456279 169297652 /nfs/dbraw/zinc/29/76/52/169297652.db2.gz BIPKZDLYGSCORS-QMMMGPOBSA-N 0 0 178.191 1.050 10 0 ADAERN Nc1cccc([C@H]2NC(=O)CS2)c1 21160918 169297657 /nfs/dbraw/zinc/29/76/57/169297657.db2.gz VYGDGHCKJMIBAB-VIFPVBQESA-N 0 0 194.259 1.130 10 0 ADAERN Nc1cccc([C@@H]2CCCO2)n1 72193309 169297659 /nfs/dbraw/zinc/29/76/59/169297659.db2.gz JKPYXIQTNZLBNE-QMMMGPOBSA-N 0 0 164.208 1.515 10 0 ADAERN Nc1ccccc1-c1cc(=O)[nH]cn1 82529987 169297660 /nfs/dbraw/zinc/29/76/60/169297660.db2.gz XXNTYNGLWGYVIM-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1cccc([C@H]2CCOC2)n1 44121936 169297677 /nfs/dbraw/zinc/29/76/77/169297677.db2.gz BPUQUJYWUWFZBK-ZETCQYMHSA-N 0 0 164.208 1.168 10 0 ADAERN Nc1cccc2c1SCCC2=O 82397011 169297704 /nfs/dbraw/zinc/29/77/04/169297704.db2.gz IFBOYJUIFKARNE-UHFFFAOYSA-N 0 0 179.244 1.947 10 0 ADAERN Nc1cccc2cc(C=O)oc12 82405201 169297707 /nfs/dbraw/zinc/29/77/07/169297707.db2.gz RMDDVDTWERTNPW-UHFFFAOYSA-N 0 0 161.160 1.828 10 0 ADAERN Nc1cccc2[nH]c(=O)sc12 45236251 169297737 /nfs/dbraw/zinc/29/77/37/169297737.db2.gz KIYIRYVCBDHHKB-UHFFFAOYSA-N 0 0 166.205 1.172 10 0 ADAERN Nc1cccc2c(=O)ccoc12 75544841 169297756 /nfs/dbraw/zinc/29/77/56/169297756.db2.gz AYIVZQDPPVOFAL-UHFFFAOYSA-N 0 0 161.160 1.375 10 0 ADAERN Nc1cccc2c(-c3cn[nH]c3)[nH]nc12 31991915 169297802 /nfs/dbraw/zinc/29/78/02/169297802.db2.gz YVDQCXFXQMZZDY-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Nc1cccc([C@H]2CNC(=O)OC2)c1 82530569 169297813 /nfs/dbraw/zinc/29/78/13/169297813.db2.gz YFZFNJSHMNLZPL-QMMMGPOBSA-N 0 0 192.218 1.092 10 0 ADAERN Nc1cccc2c1CCN=N2 24621814 169297823 /nfs/dbraw/zinc/29/78/23/169297823.db2.gz PJESLNCTIWYNNU-UHFFFAOYSA-N 0 0 147.181 1.223 10 0 ADAERN Nc1cccc([C@H]2CCOC2)c1 72193167 169297833 /nfs/dbraw/zinc/29/78/33/169297833.db2.gz OJUSSNPWOSCGKM-VIFPVBQESA-N 0 0 163.220 1.773 10 0 ADAERN Nc1cccc2c1N1CCN=C1S2 39332415 169297853 /nfs/dbraw/zinc/29/78/53/169297853.db2.gz SPWWBEBNAPNKAL-UHFFFAOYSA-N 0 0 191.259 1.551 10 0 ADAERN Nc1cccc2conc12 82410937 169297893 /nfs/dbraw/zinc/29/78/93/169297893.db2.gz CUXLYNNHHVKBBL-UHFFFAOYSA-N 0 0 134.138 1.410 10 0 ADAERN Nc1cccc2c1NC=NC2 24627446 169297916 /nfs/dbraw/zinc/29/79/16/169297916.db2.gz LMEDRBUMEHITIN-UHFFFAOYSA-N 0 0 147.181 1.223 10 0 ADAERN Nc1cccc2c1CCn1cnnc1-2 75577192 169297920 /nfs/dbraw/zinc/29/79/20/169297920.db2.gz RUTFMFPDNGFQIY-UHFFFAOYSA-N 0 0 186.218 1.083 10 0 ADAERN Nc1cccc2c(O)ccc(N)c12 62718575 169297928 /nfs/dbraw/zinc/29/79/28/169297928.db2.gz XFWDIDUGMGLXTE-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1cccc2c(O)ccc(O)c12 62718689 169297943 /nfs/dbraw/zinc/29/79/43/169297943.db2.gz LPEAZCOKPRIYTD-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1cccc2c1N=CCO2 39048304 169297948 /nfs/dbraw/zinc/29/79/48/169297948.db2.gz WYXZFYVGOMVKEG-UHFFFAOYSA-N 0 0 148.165 1.364 10 0 ADAERN Nc1ccccc1-c1ccc(=O)[nH]c1 44121256 169297964 /nfs/dbraw/zinc/29/79/64/169297964.db2.gz OVYHWLDNHRGLRL-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN Nc1cccc2c1OCCS2 62498557 169297966 /nfs/dbraw/zinc/29/79/66/169297966.db2.gz LSRXEEPLRZWCCT-UHFFFAOYSA-N 0 0 167.233 1.753 10 0 ADAERN Nc1cccc([C@@H]2CNC(=O)OC2)c1 82530568 169297975 /nfs/dbraw/zinc/29/79/75/169297975.db2.gz YFZFNJSHMNLZPL-MRVPVSSYSA-N 0 0 192.218 1.092 10 0 ADAERN Nc1cccc([C@@H]2CCOC2)c1 72193166 169297985 /nfs/dbraw/zinc/29/79/85/169297985.db2.gz OJUSSNPWOSCGKM-SECBINFHSA-N 0 0 163.220 1.773 10 0 ADAERN Nc1cccc2c1OCCOC2 62498539 169298070 /nfs/dbraw/zinc/29/80/70/169298070.db2.gz OYICNDBITOCYGL-UHFFFAOYSA-N 0 0 165.192 1.178 10 0 ADAERN Nc1cccc2c(CO)occ12 205002939 169298074 /nfs/dbraw/zinc/29/80/74/169298074.db2.gz BZRJVRAZXJLHOE-UHFFFAOYSA-N 0 0 163.176 1.507 10 0 ADAERN Nc1cccc2c1OCC=C2 24629381 169298101 /nfs/dbraw/zinc/29/81/01/169298101.db2.gz JCWMXUWMJGCQRR-UHFFFAOYSA-N 0 0 147.177 1.674 10 0 ADAERN Nc1cccc2c(O)csc12 82403436 169298106 /nfs/dbraw/zinc/29/81/06/169298106.db2.gz PPYIURMIHRHLSN-UHFFFAOYSA-N 0 0 165.217 1.557 10 0 ADAERN Nc1cccc2[nH]c(-n3cccn3)nc12 95922821 169298108 /nfs/dbraw/zinc/29/81/08/169298108.db2.gz QGVWNWLQBDHQFR-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN Nc1cccc2c1OC=CO2 24627766 169298114 /nfs/dbraw/zinc/29/81/14/169298114.db2.gz PPNWHFMOMFNZCF-UHFFFAOYSA-N 0 0 149.149 1.511 10 0 ADAERN Nc1cccc2c1OCCCC2 82404541 169298118 /nfs/dbraw/zinc/29/81/18/169298118.db2.gz RHHIOMNOSLMWJN-UHFFFAOYSA-N 0 0 163.220 1.984 10 0 ADAERN Nc1ccccc1C1N=NC(=O)O1 39318490 169298184 /nfs/dbraw/zinc/29/81/84/169298184.db2.gz TXCJPLZFJGBEJM-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN Nc1ccccc1Cc1ncco1 82529305 169298190 /nfs/dbraw/zinc/29/81/90/169298190.db2.gz PXYKXMYWPUMYOH-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1ccccc1[S@](=O)C(F)F 42194613 169298203 /nfs/dbraw/zinc/29/82/03/169298203.db2.gz LDVOKJQCUFSAJV-GFCCVEGCSA-N 0 0 191.202 1.599 10 0 ADAERN Nc1ccccc1NCc1cn[nH]c1 44410910 169298204 /nfs/dbraw/zinc/29/82/04/169298204.db2.gz NOEBEQKOOSWQFO-UHFFFAOYSA-N 0 0 188.234 1.604 10 0 ADAERN Nc1ccccc1CSCCO 36335944 169298210 /nfs/dbraw/zinc/29/82/10/169298210.db2.gz XNZYHQYEIFQPBE-UHFFFAOYSA-N 0 0 183.276 1.494 10 0 ADAERN Nc1ccccc1-c1nccc(=O)[nH]1 82529986 169298223 /nfs/dbraw/zinc/29/82/23/169298223.db2.gz QZMYSXPRSRVHBT-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccccc1C[C@H]1CCCO1 82398265 169298253 /nfs/dbraw/zinc/29/82/53/169298253.db2.gz ALRKUEBABWXDOS-SNVBAGLBSA-N 0 0 177.247 1.990 10 0 ADAERN Nc1ccccc1SCCCO 37035175 169298280 /nfs/dbraw/zinc/29/82/80/169298280.db2.gz LBVXBVHDSICVLW-UHFFFAOYSA-N 0 0 183.276 1.743 10 0 ADAERN Nc1ccccc1/C=C\CO 39048407 169298292 /nfs/dbraw/zinc/29/82/92/169298292.db2.gz MNWRXKPXEPZBNB-HYXAFXHYSA-N 0 0 149.193 1.274 10 0 ADAERN Nc1ccccc1Nn1cccc1 22000637 169298305 /nfs/dbraw/zinc/29/83/05/169298305.db2.gz KOKBWRKMCOOEDN-UHFFFAOYSA-N 0 0 173.219 1.946 10 0 ADAERN Nc1ccccc1Cc1ncncn1 82529940 169298307 /nfs/dbraw/zinc/29/83/07/169298307.db2.gz CASNGFIEQIFTRE-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1ccccc1[C@H](O)c1ccco1 82925025 169298311 /nfs/dbraw/zinc/29/83/11/169298311.db2.gz LGPKNLNPLUBLKV-NSHDSACASA-N 0 0 189.214 1.944 10 0 ADAERN Nc1ccccc1Cc1ncccn1 82529882 169298315 /nfs/dbraw/zinc/29/83/15/169298315.db2.gz CHTRDZVCAHDRFA-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1ccccc1NCc1cc[nH]n1 41014512 169298327 /nfs/dbraw/zinc/29/83/27/169298327.db2.gz LCGWMZZASCNQAB-UHFFFAOYSA-N 0 0 188.234 1.604 10 0 ADAERN Nc1ccccc1OCc1ncon1 38056078 169298351 /nfs/dbraw/zinc/29/83/51/169298351.db2.gz AGRBCJQDAMVAAU-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1ccccc1N(CCO)C1CC1 44414744 169298366 /nfs/dbraw/zinc/29/83/66/169298366.db2.gz ZJPVRIGALKZFDX-UHFFFAOYSA-N 0 0 192.262 1.230 10 0 ADAERN Nc1ccccc1Oc1cccnn1 52831433 169298399 /nfs/dbraw/zinc/29/83/99/169298399.db2.gz NHUQLELWLHBQRA-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN Nc1ccccc1[S@@](=O)C(F)F 42194611 169298402 /nfs/dbraw/zinc/29/84/02/169298402.db2.gz LDVOKJQCUFSAJV-LBPRGKRZSA-N 0 0 191.202 1.599 10 0 ADAERN Nc1ccccc1Cc1cnco1 83254681 169298403 /nfs/dbraw/zinc/29/84/03/169298403.db2.gz WCGPMWCWQCPLCU-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1ccccc1[C@H]1CCC(=O)NC1 82883180 169298406 /nfs/dbraw/zinc/29/84/06/169298406.db2.gz YTRDZKROOMKUGY-QMMMGPOBSA-N 0 0 190.246 1.262 10 0 ADAERN Nc1ccccc1OCc1ncc[nH]1 82530214 169298419 /nfs/dbraw/zinc/29/84/19/169298419.db2.gz ZPHFHNYLTUZDQF-UHFFFAOYSA-N 0 0 189.218 1.571 10 0 ADAERN Nc1ccccc1[C@@H](N)C(F)(F)F 72191390 169298432 /nfs/dbraw/zinc/29/84/32/169298432.db2.gz NEPWAMPNCDPCCZ-SSDOTTSWSA-N 0 0 190.168 1.831 10 0 ADAERN Nc1ccccc1CF 71863598 169298451 /nfs/dbraw/zinc/29/84/51/169298451.db2.gz XUPCRFCPXDLPAW-UHFFFAOYSA-N 0 0 125.146 1.738 10 0 ADAERN Nc1ccccc1OCc1ncno1 38055976 169298476 /nfs/dbraw/zinc/29/84/76/169298476.db2.gz FUUVOEYRBVEUTH-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1ccccc1[C@H]1CCOC1 72193188 169298481 /nfs/dbraw/zinc/29/84/81/169298481.db2.gz OVVYKPUEINWMTK-QMMMGPOBSA-N 0 0 163.220 1.773 10 0 ADAERN Nc1ccccc1CCn1ccnc1 52918763 169298489 /nfs/dbraw/zinc/29/84/89/169298489.db2.gz LJNVKKLWGLYBFW-UHFFFAOYSA-N 0 0 187.246 1.708 10 0 ADAERN Nc1ccccc1OCCCCCO 51019532 169298494 /nfs/dbraw/zinc/29/84/94/169298494.db2.gz NTUCHWSVJCBJLN-UHFFFAOYSA-N 0 0 195.262 1.810 10 0 ADAERN Nc1ccccc1O[C@H]1CCC[C@H]1O 38056099 169298503 /nfs/dbraw/zinc/29/85/03/169298503.db2.gz OVFROHRCDLUBIV-KOLCDFICSA-N 0 0 193.246 1.561 10 0 ADAERN Nc1ccccc1[S@](=O)CC1CC1 42194601 169298510 /nfs/dbraw/zinc/29/85/10/169298510.db2.gz PTYMUNDJLLRWIB-ZDUSSCGKSA-N 0 0 195.287 1.786 10 0 ADAERN Nc1ccccc1OCc1ccno1 38056076 169298518 /nfs/dbraw/zinc/29/85/18/169298518.db2.gz BKUPYBNNYNZVFI-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1ccccc1Cc1nccnn1 82529939 169298524 /nfs/dbraw/zinc/29/85/24/169298524.db2.gz WYDNQJHOGASQTP-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1ccccc1Cc1cc(=O)[nH][nH]1 34288342 169298536 /nfs/dbraw/zinc/29/85/36/169298536.db2.gz PJAPXLXIEDUVSR-UHFFFAOYSA-N 0 0 189.218 1.288 10 0 ADAERN Nc1ccccc1Oc1cnccn1 22141877 169298542 /nfs/dbraw/zinc/29/85/42/169298542.db2.gz ZTOCSALPRDBXFK-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN Nc1ccccc1O[C@H]1CCC[C@@H]1O 38056097 169298552 /nfs/dbraw/zinc/29/85/52/169298552.db2.gz OVFROHRCDLUBIV-ONGXEEELSA-N 0 0 193.246 1.561 10 0 ADAERN Nc1ccccc1C1(CO)CC1 71478688 169298555 /nfs/dbraw/zinc/29/85/55/169298555.db2.gz OFTZVECGIUPAGR-UHFFFAOYSA-N 0 0 163.220 1.293 10 0 ADAERN Nc1ccccc1N1CCCOCC1 61916836 169298562 /nfs/dbraw/zinc/29/85/62/169298562.db2.gz POGAZWFQONNYTM-UHFFFAOYSA-N 0 0 192.262 1.496 10 0 ADAERN Nc1ccccc1NC(=O)NC1CC1 54456695 169298574 /nfs/dbraw/zinc/29/85/74/169298574.db2.gz FOJKPRLRFPNUOT-UHFFFAOYSA-N 0 0 191.234 1.553 10 0 ADAERN Nc1ccccc1C(=O)c1ccc[nH]1 28466163 169298612 /nfs/dbraw/zinc/29/86/12/169298612.db2.gz NNGROHIQOBMITE-UHFFFAOYSA-N 0 0 186.214 1.828 10 0 ADAERN Nc1ccccc1C1=NC(=O)CS1 256009544 169298623 /nfs/dbraw/zinc/29/86/23/169298623.db2.gz WQYUTHSJJQONID-UHFFFAOYSA-N 0 0 192.243 1.289 10 0 ADAERN Nc1ccccc1[C@H](N)C(F)(F)F 72191389 169298638 /nfs/dbraw/zinc/29/86/38/169298638.db2.gz NEPWAMPNCDPCCZ-ZETCQYMHSA-N 0 0 190.168 1.831 10 0 ADAERN Nc1ccccc1Cc1nc(O)c[nH]1 105866450 169298644 /nfs/dbraw/zinc/29/86/44/169298644.db2.gz MNECIMLXXVCLCO-UHFFFAOYSA-N 0 0 189.218 1.288 10 0 ADAERN Nc1ccccc1[S@@](=O)CC1CC1 42194599 169298647 /nfs/dbraw/zinc/29/86/47/169298647.db2.gz PTYMUNDJLLRWIB-CYBMUJFWSA-N 0 0 195.287 1.786 10 0 ADAERN Nc1cccccc1=S 33845150 169298649 /nfs/dbraw/zinc/29/86/49/169298649.db2.gz PPLLQJLYBBNMOD-UHFFFAOYSA-N 0 0 137.207 1.998 10 0 ADAERN Nc1ccccc1-c1nccnn1 82529243 169298650 /nfs/dbraw/zinc/29/86/50/169298650.db2.gz CUNOGIPSFFJQPB-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccccc1CN1CCOC1=O 19841156 169298658 /nfs/dbraw/zinc/29/86/58/169298658.db2.gz OUVWBMYYLYOKRI-UHFFFAOYSA-N 0 0 192.218 1.221 10 0 ADAERN Nc1ccccc1O[C@@H]1CCC[C@@H]1O 38056096 169298693 /nfs/dbraw/zinc/29/86/93/169298693.db2.gz OVFROHRCDLUBIV-GXSJLCMTSA-N 0 0 193.246 1.561 10 0 ADAERN Nc1ccccc1SCCO 1622154 169298705 /nfs/dbraw/zinc/29/87/05/169298705.db2.gz XAQMDICVVROORQ-UHFFFAOYSA-N 0 0 169.249 1.353 10 0 ADAERN Nc1ccccc1-c1ncon1 44317421 169298714 /nfs/dbraw/zinc/29/87/14/169298714.db2.gz QTDDOBUQYCYCCO-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1ccccc1-c1cn[nH]n1 95558762 169298717 /nfs/dbraw/zinc/29/87/17/169298717.db2.gz JPJQVQXZTYHISZ-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccccc1-c1ncncn1 82529244 169298735 /nfs/dbraw/zinc/29/87/35/169298735.db2.gz BAXRMTTWUIVFIS-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccccc1CCc1nnc[nH]1 82530159 169298738 /nfs/dbraw/zinc/29/87/38/169298738.db2.gz YDIIAKAPUZMQEE-UHFFFAOYSA-N 0 0 188.234 1.172 10 0 ADAERN Nc1ccccc1Cc1ncc[nH]1 39615534 169298745 /nfs/dbraw/zinc/29/87/45/169298745.db2.gz KSKKEMJYPOUZKJ-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN Nc1ccccc1[C@@H]1CCC(=O)NC1 82883178 169298785 /nfs/dbraw/zinc/29/87/85/169298785.db2.gz YTRDZKROOMKUGY-MRVPVSSYSA-N 0 0 190.246 1.262 10 0 ADAERN Nc1ccccc1OC[C@H]1CCOC1 41045902 169298845 /nfs/dbraw/zinc/29/88/45/169298845.db2.gz UAGYJBQFUMQSKQ-VIFPVBQESA-N 0 0 193.246 1.684 10 0 ADAERN Nc1ccccc1CCn1cccn1 52918759 169298866 /nfs/dbraw/zinc/29/88/66/169298866.db2.gz DMIBMTKIEUZJNC-UHFFFAOYSA-N 0 0 187.246 1.708 10 0 ADAERN Nc1ccccc1CNC(=O)C1CC1 50015109 169298874 /nfs/dbraw/zinc/29/88/74/169298874.db2.gz VNSSOVXAKGEZLF-UHFFFAOYSA-N 0 0 190.246 1.295 10 0 ADAERN Nc1ccccc1C[C@@H]1CCCO1 82398264 169298878 /nfs/dbraw/zinc/29/88/78/169298878.db2.gz ALRKUEBABWXDOS-JTQLQIEISA-N 0 0 177.247 1.990 10 0 ADAERN Nc1ccccc1NC[C@H]1CCOC1 61146630 169298901 /nfs/dbraw/zinc/29/89/01/169298901.db2.gz CHARWRWRCPDTFC-SECBINFHSA-N 0 0 192.262 1.717 10 0 ADAERN Nc1ccccc1CCc1ncc[nH]1 82530035 169298905 /nfs/dbraw/zinc/29/89/05/169298905.db2.gz KOBZVCBIRXUZJF-UHFFFAOYSA-N 0 0 187.246 1.777 10 0 ADAERN Nc1ccccc1[C@@H](O)c1ccco1 82925026 169298953 /nfs/dbraw/zinc/29/89/53/169298953.db2.gz LGPKNLNPLUBLKV-LLVKDONJSA-N 0 0 189.214 1.944 10 0 ADAERN Nc1ccccc1Cc1ncno1 53200667 169298957 /nfs/dbraw/zinc/29/89/57/169298957.db2.gz BHWUNLZVKUXGQZ-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN Nc1ccccc1OC[C@@H]1CCOC1 41045901 169298962 /nfs/dbraw/zinc/29/89/62/169298962.db2.gz UAGYJBQFUMQSKQ-SECBINFHSA-N 0 0 193.246 1.684 10 0 ADAERN Nc1ccccc1[C@@H]1CCOC1 72193187 169298971 /nfs/dbraw/zinc/29/89/71/169298971.db2.gz OVVYKPUEINWMTK-MRVPVSSYSA-N 0 0 163.220 1.773 10 0 ADAERN Nc1ccccc1O[C@@H]1CCC[C@H]1O 38056098 169298972 /nfs/dbraw/zinc/29/89/72/169298972.db2.gz OVFROHRCDLUBIV-MWLCHTKSSA-N 0 0 193.246 1.561 10 0 ADAERN Nc1ccccc1CCn1cncn1 52918761 169298976 /nfs/dbraw/zinc/29/89/76/169298976.db2.gz XBDMBCMLGHDGLF-UHFFFAOYSA-N 0 0 188.234 1.103 10 0 ADAERN Nc1ccccc1OCc1ncco1 82530314 169299019 /nfs/dbraw/zinc/29/90/19/169299019.db2.gz PCMZZNQMUZOZOS-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1ccccc1N1CCC1=O 39081640 169299034 /nfs/dbraw/zinc/29/90/34/169299034.db2.gz PVBIYRKDWMPTLU-UHFFFAOYSA-N 0 0 162.192 1.006 10 0 ADAERN Nc1ccccc2ncnc1-2 90600893 169299043 /nfs/dbraw/zinc/29/90/43/169299043.db2.gz WRCQJXIUALYTNZ-UHFFFAOYSA-N 0 0 145.165 1.164 10 0 ADAERN Nc1ccccc1Oc1ccncn1 40543023 169299047 /nfs/dbraw/zinc/29/90/47/169299047.db2.gz KZRIPHBVAHMCRJ-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN Nc1ccccc1C(=O)OC1CCC1 50928998 169299053 /nfs/dbraw/zinc/29/90/53/169299053.db2.gz MNHLRMDRRAIKSX-UHFFFAOYSA-N 0 0 191.230 1.978 10 0 ADAERN Nc1ccccc1NC[C@@H]1CCOC1 61146629 169299058 /nfs/dbraw/zinc/29/90/58/169299058.db2.gz CHARWRWRCPDTFC-VIFPVBQESA-N 0 0 192.262 1.717 10 0 ADAERN Nc1ccccc1C1OCCCO1 49805535 169299066 /nfs/dbraw/zinc/29/90/66/169299066.db2.gz XDCNWKYUSBYTAX-UHFFFAOYSA-N 0 0 179.219 1.704 10 0 ADAERN Nc1ccnc(N2CCCCCC2)n1 44263721 169299155 /nfs/dbraw/zinc/29/91/55/169299155.db2.gz FYQOKHDFNQJSDT-UHFFFAOYSA-N 0 0 192.266 1.439 10 0 ADAERN Nc1ccn(-c2ccc(Cl)cn2)n1 40516748 169299165 /nfs/dbraw/zinc/29/91/65/169299165.db2.gz BHYAVQIZIHMAJY-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccnc(CCc2ccccc2)n1 50847126 169299183 /nfs/dbraw/zinc/29/91/83/169299183.db2.gz CQYLUDVVOMWWCO-UHFFFAOYSA-N 0 0 199.257 1.844 10 0 ADAERN Nc1cccnc1-c1ncc[nH]1 75544499 169299219 /nfs/dbraw/zinc/29/92/19/169299219.db2.gz KDYLOHVDSNERFO-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccnc(-c2cnc(N)s2)c1 72204404 169299225 /nfs/dbraw/zinc/29/92/25/169299225.db2.gz BFRHQZORMHMLRE-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1ccn(-c2ccc(F)cc2F)n1 35957675 169299231 /nfs/dbraw/zinc/29/92/31/169299231.db2.gz VSSDDYOCTNAKSY-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1ccn(-c2cccc(F)c2)n1 54404772 169299232 /nfs/dbraw/zinc/29/92/32/169299232.db2.gz BIYOEWQCJLMPOR-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1cccnc1N=O 39050838 169299282 /nfs/dbraw/zinc/29/92/82/169299282.db2.gz YQEZQYKXRPBKBZ-UHFFFAOYSA-N 0 0 123.115 1.062 10 0 ADAERN Nc1ccnc(Cl)c1OC1CC1 95737312 169299287 /nfs/dbraw/zinc/29/92/87/169299287.db2.gz GUVJWHVMGZKCGJ-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cccnc1OCc1ccco1 19261998 169299308 /nfs/dbraw/zinc/29/93/08/169299308.db2.gz HFXDYYSOZHHGKO-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1ccnc(C=O)c1Cl 95773568 169299316 /nfs/dbraw/zinc/29/93/16/169299316.db2.gz WEWMDABHUWKNJB-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1ccn([C@@H]2CCCCC[C@@H]2O)n1 54600763 169299333 /nfs/dbraw/zinc/29/93/33/169299333.db2.gz HXBZHSARKRMNLM-BDAKNGLRSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1ccn([C@H]2CCCCC[C@@H]2O)n1 54600764 169299340 /nfs/dbraw/zinc/29/93/40/169299340.db2.gz HXBZHSARKRMNLM-IUCAKERBSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1ccnc(Cc2ccncc2)n1 53136865 169299349 /nfs/dbraw/zinc/29/93/49/169299349.db2.gz DJQTUBHARASMEO-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1cccnc1OC[C@@H]1CCCO1 19406423 169299383 /nfs/dbraw/zinc/29/93/83/169299383.db2.gz ZDTZNIQWQPJLIT-QMMMGPOBSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ccn(C2CCCCC2)c(=O)n1 3650690 169299405 /nfs/dbraw/zinc/29/94/05/169299405.db2.gz TWZFIOJEBDZSAQ-UHFFFAOYSA-N 0 0 193.250 1.331 10 0 ADAERN Nc1ccnc(F)c1OC1CC1 95737303 169299433 /nfs/dbraw/zinc/29/94/33/169299433.db2.gz TXJKFSWGDRNNFC-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cccnc1[S@](=O)CC1CC1 42198261 169299434 /nfs/dbraw/zinc/29/94/34/169299434.db2.gz AQPJNGCUZLYHMG-ZDUSSCGKSA-N 0 0 196.275 1.181 10 0 ADAERN Nc1cccn2c(C3CC3)nnc12 31862653 169299469 /nfs/dbraw/zinc/29/94/69/169299469.db2.gz YAODMFOPTHAVIL-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN Nc1cccnc1C(=O)C(F)(F)F 95761324 169299496 /nfs/dbraw/zinc/29/94/96/169299496.db2.gz VIVOQZYWDYUYQS-UHFFFAOYSA-N 0 0 190.124 1.409 10 0 ADAERN Nc1ccnc(C=O)c1OC1CC1 95741804 169299498 /nfs/dbraw/zinc/29/94/98/169299498.db2.gz SMIDFLXWANUOMY-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1ccnc(-c2cc[nH]c2)n1 71495629 169299502 /nfs/dbraw/zinc/29/95/02/169299502.db2.gz SRCORLFQFXNLIS-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1cccn2nc(C3CC3)nc12 65284127 169299506 /nfs/dbraw/zinc/29/95/06/169299506.db2.gz YFVNNEIRXWKLJI-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN Nc1ccn([C@@H]2CCCCC[C@H]2O)n1 54600765 169299550 /nfs/dbraw/zinc/29/95/50/169299550.db2.gz HXBZHSARKRMNLM-RKDXNWHRSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1cccn2c(Cl)cnc12 84331349 169299600 /nfs/dbraw/zinc/29/96/00/169299600.db2.gz JEUILNPGZPJHPQ-UHFFFAOYSA-N 0 0 167.599 1.570 10 0 ADAERN Nc1ccnc(-c2cccc(O)c2)n1 50867316 169299607 /nfs/dbraw/zinc/29/96/07/169299607.db2.gz IMSIUYUNNDHFIV-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1cccnc1SCCCO 37190529 169299654 /nfs/dbraw/zinc/29/96/54/169299654.db2.gz SPEHDZSFUYJRQY-UHFFFAOYSA-N 0 0 184.264 1.138 10 0 ADAERN Nc1cccnc1-c1ncccc1O 75577586 169299678 /nfs/dbraw/zinc/29/96/78/169299678.db2.gz XQNUATUIWJTEDG-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1cccnc1OC[C@H]1CCOC1 49688343 169299689 /nfs/dbraw/zinc/29/96/89/169299689.db2.gz SHNOPSXPLFWPKM-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1cccnc1-n1cc(Cl)cn1 20353344 169299725 /nfs/dbraw/zinc/29/97/25/169299725.db2.gz CVHHRBIPOVBTPE-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccn([C@H]2CCCCC[C@H]2O)n1 54600766 169299770 /nfs/dbraw/zinc/29/97/70/169299770.db2.gz HXBZHSARKRMNLM-DTWKUNHWSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1ccnc(-c2ncccc2O)c1 72204384 169299771 /nfs/dbraw/zinc/29/97/71/169299771.db2.gz LKEMSRNXDHEREB-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1cccnc1NCC1CCC1 37180436 169299788 /nfs/dbraw/zinc/29/97/88/169299788.db2.gz DHIORBJJERXPND-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN Nc1ccnc(-n2cc(Cl)cn2)c1 43569340 169299796 /nfs/dbraw/zinc/29/97/96/169299796.db2.gz WEAXSWCNIFNPAH-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccnc(-c2ccc(O)cc2)n1 104848514 169299798 /nfs/dbraw/zinc/29/97/98/169299798.db2.gz GCWNCSOZDYPQEN-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1cccnc1OC[C@H]1CCCO1 19406426 169299805 /nfs/dbraw/zinc/29/98/05/169299805.db2.gz ZDTZNIQWQPJLIT-MRVPVSSYSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1cccnc1NC[C@H]1CCOC1 61146652 169299830 /nfs/dbraw/zinc/29/98/30/169299830.db2.gz FMYHPOLQJDWIGW-MRVPVSSYSA-N 0 0 193.250 1.112 10 0 ADAERN Nc1cccnc1Nc1ccccn1 39630672 169299870 /nfs/dbraw/zinc/29/98/70/169299870.db2.gz KIZKSHAYLIOUNC-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1cccnc1SC(F)F 37190875 169299873 /nfs/dbraw/zinc/29/98/73/169299873.db2.gz HTQIEYFXPQCCLS-UHFFFAOYSA-N 0 0 176.191 1.979 10 0 ADAERN Nc1cccnc1NC[C@@H]1CCOC1 61146651 169299889 /nfs/dbraw/zinc/29/98/89/169299889.db2.gz FMYHPOLQJDWIGW-QMMMGPOBSA-N 0 0 193.250 1.112 10 0 ADAERN Nc1ccnc(-c2ncccc2N)c1 72204385 169299894 /nfs/dbraw/zinc/29/98/94/169299894.db2.gz YLUVTLOSUSIAEB-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccnc(-c2csc(N)n2)c1 72204403 169299921 /nfs/dbraw/zinc/29/99/21/169299921.db2.gz BLMZJGIWIBCRFE-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1ccnc(-c2cccc(N)n2)c1 35569560 169299934 /nfs/dbraw/zinc/29/99/34/169299934.db2.gz YUFDXOCNMBTQQM-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1cccnc1NC1CCOCC1 36319176 169299988 /nfs/dbraw/zinc/29/99/88/169299988.db2.gz CMVZXKGKSMOKNL-UHFFFAOYSA-N 0 0 193.250 1.255 10 0 ADAERN Nc1cccnc1-c1cncnc1 82400225 169300037 /nfs/dbraw/zinc/30/00/37/169300037.db2.gz RHWUTVJJTIRQIL-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ccnc(Cc2ccccn2)n1 50847009 169300086 /nfs/dbraw/zinc/30/00/86/169300086.db2.gz YYEMZSCOXLYURQ-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1cccnc1N1C[C@H]2CC[C@@H]1C2 49716139 169300092 /nfs/dbraw/zinc/30/00/92/169300092.db2.gz ZEHKKCCTUPPFAT-DTWKUNHWSA-N 0 0 189.262 1.653 10 0 ADAERN Nc1cccnc1OC[C@@H]1CCOC1 49688342 169300098 /nfs/dbraw/zinc/30/00/98/169300098.db2.gz SHNOPSXPLFWPKM-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ccnc(CC(F)(F)F)n1 50847161 169300106 /nfs/dbraw/zinc/30/01/06/169300106.db2.gz RKLWTEBQQMTGBF-UHFFFAOYSA-N 0 0 177.129 1.164 10 0 ADAERN Nc1cccnc1[S@@](=O)CC1CC1 42198259 169300135 /nfs/dbraw/zinc/30/01/35/169300135.db2.gz AQPJNGCUZLYHMG-CYBMUJFWSA-N 0 0 196.275 1.181 10 0 ADAERN Nc1ccnc(Cc2cccnc2)n1 53132793 169300144 /nfs/dbraw/zinc/30/01/44/169300144.db2.gz BEIWWHDKXBJAAI-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1ccnc(Cc2cccs2)n1 52901104 169300152 /nfs/dbraw/zinc/30/01/52/169300152.db2.gz DOFJKGLNNRCDHI-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN Nc1cccnc1C(=O)c1ccccc1 59999961 169300160 /nfs/dbraw/zinc/30/01/60/169300160.db2.gz MUXPIKKNIKZVHU-UHFFFAOYSA-N 0 0 198.225 1.895 10 0 ADAERN Nc1ccn(-c2ccc(F)c(F)c2)n1 77295617 169300187 /nfs/dbraw/zinc/30/01/87/169300187.db2.gz YWFWJVBVUIBGMU-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1ccnc(OC[C@H]2CCOC2)c1 49840479 169300261 /nfs/dbraw/zinc/30/02/61/169300261.db2.gz WAOGLLGCSTXKRY-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ccnc2ccc3[nH]cnc3c12 95922865 169300273 /nfs/dbraw/zinc/30/02/73/169300273.db2.gz NJPMKDUNTYYTNK-UHFFFAOYSA-N 0 0 184.202 1.693 10 0 ADAERN Nc1cn(-c2ccccc2F)cn1 72193539 169300293 /nfs/dbraw/zinc/30/02/93/169300293.db2.gz GCKATSLWPNHWBU-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1cn(-c2ccc(N)s2)cn1 72193526 169300341 /nfs/dbraw/zinc/30/03/41/169300341.db2.gz XFBWRQOOSSGCCD-UHFFFAOYSA-N 0 0 180.236 1.098 10 0 ADAERN Nc1cn(C2CCCCC2)cn1 72193488 169300353 /nfs/dbraw/zinc/30/03/53/169300353.db2.gz GBTGAEFZFUHHCY-UHFFFAOYSA-N 0 0 165.240 1.971 10 0 ADAERN Nc1cn(-c2ccsc2)cn1 72193499 169300407 /nfs/dbraw/zinc/30/04/07/169300407.db2.gz IAPBGGJZKMAHCQ-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1ccnn1[C@@H]1CCCCC[C@@H]1O 54600527 169300421 /nfs/dbraw/zinc/30/04/21/169300421.db2.gz MJTFFDKDVCQTAO-BDAKNGLRSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1cnc(-c2cccc(N)c2)nc1 39121289 169300434 /nfs/dbraw/zinc/30/04/34/169300434.db2.gz KLHSGENYMMOQFL-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1ccoc1CC(F)(F)F 107103308 169300457 /nfs/dbraw/zinc/30/04/57/169300457.db2.gz JPNNZRNUZAJYAP-UHFFFAOYSA-N 0 0 165.114 1.967 10 0 ADAERN Nc1ccsc1C(=O)NCC1CC1 40292821 169300491 /nfs/dbraw/zinc/30/04/91/169300491.db2.gz RKXJFRKZIHDZFI-UHFFFAOYSA-N 0 0 196.275 1.470 10 0 ADAERN Nc1cn(-c2ccnc(Cl)c2)cn1 72193552 169300493 /nfs/dbraw/zinc/30/04/93/169300493.db2.gz JJNMZWKGBANLHJ-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cn(-c2cccs2)cn1 72193495 169300498 /nfs/dbraw/zinc/30/04/98/169300498.db2.gz HJEZTCDYMBYVJD-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1ccnn1-c1ccc(F)c(F)c1 82530877 169300521 /nfs/dbraw/zinc/30/05/21/169300521.db2.gz DILCXVUIVGPGBC-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1cn(-c2cc(F)cc(F)c2)cn1 72193562 169300548 /nfs/dbraw/zinc/30/05/48/169300548.db2.gz AMVKCIOIKMQFSX-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1ccncc1-c1c[nH]ccc1=O 75577588 169300566 /nfs/dbraw/zinc/30/05/66/169300566.db2.gz GIVKFBHQAIAFDU-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccsc1C(=O)OC(F)F 41048156 169300604 /nfs/dbraw/zinc/30/06/04/169300604.db2.gz CWIRCNNFGWOXPK-UHFFFAOYSA-N 0 0 193.174 1.710 10 0 ADAERN Nc1cnc(-c2ccc(F)cc2)nn1 77274877 169300611 /nfs/dbraw/zinc/30/06/11/169300611.db2.gz WXPQBNVGIGLGDR-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1cn(-c2ccccc2Cl)nn1 82386924 169300626 /nfs/dbraw/zinc/30/06/26/169300626.db2.gz YGMQEOZRQNDDDS-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ccnn1[C@@H]1CCCSC1 61589752 169300632 /nfs/dbraw/zinc/30/06/32/169300632.db2.gz AGWITMSARXZHIO-SSDOTTSWSA-N 0 0 183.280 1.533 10 0 ADAERN Nc1cn2ccnc2c(C2CC2)n1 44120671 169300635 /nfs/dbraw/zinc/30/06/35/169300635.db2.gz FQHSKPOMXSBMCC-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN Nc1ccnn1[C@@H]1CCSC1 19689338 169300644 /nfs/dbraw/zinc/30/06/44/169300644.db2.gz HBQGHAUIDAZEQP-ZCFIWIBFSA-N 0 0 169.253 1.143 10 0 ADAERN Nc1cn2c(n1)CCCCC2 82407954 169300647 /nfs/dbraw/zinc/30/06/47/169300647.db2.gz BPGXNKVLHDMUJN-UHFFFAOYSA-N 0 0 151.213 1.192 10 0 ADAERN Nc1ccnn1[C@H]1CCCCC[C@@H]1O 54600528 169300676 /nfs/dbraw/zinc/30/06/76/169300676.db2.gz MJTFFDKDVCQTAO-IUCAKERBSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1cnc(-c2cccc(F)c2)cn1 44117478 169300709 /nfs/dbraw/zinc/30/07/09/169300709.db2.gz LFUDRFRHIQAAHQ-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccnc(OC2CCOCC2)c1 43569641 169300719 /nfs/dbraw/zinc/30/07/19/169300719.db2.gz AWTPQIZGOZCVAD-UHFFFAOYSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ccnc2c(Cl)nccc12 95763465 169300786 /nfs/dbraw/zinc/30/07/86/169300786.db2.gz DDXILDRVOBWVPH-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1ccsc1-c1nnc[nH]1 42040994 169300807 /nfs/dbraw/zinc/30/08/07/169300807.db2.gz NOFWGIBQPQMBJQ-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN Nc1cnc(-c2ccccc2)[nH]c1=O 20387854 169300820 /nfs/dbraw/zinc/30/08/20/169300820.db2.gz LYVFZVXRAUEWEQ-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ccnn1[C@H]1CCCSC1 61589753 169300829 /nfs/dbraw/zinc/30/08/29/169300829.db2.gz AGWITMSARXZHIO-ZETCQYMHSA-N 0 0 183.280 1.533 10 0 ADAERN Nc1cn(-c2ccco2)cn1 72193497 169300837 /nfs/dbraw/zinc/30/08/37/169300837.db2.gz JQGBUBAMQBSHOC-UHFFFAOYSA-N 0 0 149.153 1.048 10 0 ADAERN NC1C=CSC1=O 59667387 169300849 /nfs/dbraw/zinc/30/08/49/169300849.db2.gz YWYZWLDOSVDTRX-UHFFFAOYSA-N 0 0 115.157 1.036 10 0 ADAERN Nc1cc[nH+]c2cc(C(=O)[O-])ccc12 47912997 169300852 /nfs/dbraw/zinc/30/08/52/169300852.db2.gz UNCXCLCEVZPSAB-UHFFFAOYSA-N 0 0 188.186 1.515 10 0 ADAERN Nc1ccnc2ccc(Cl)nc12 71788761 169300859 /nfs/dbraw/zinc/30/08/59/169300859.db2.gz YKHBXNNCEAZQOV-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1ccnc(OC[C@@H]2CCOC2)c1 49840478 169300862 /nfs/dbraw/zinc/30/08/62/169300862.db2.gz WAOGLLGCSTXKRY-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ccsc1C(=O)NC1CCC1 52206602 169300865 /nfs/dbraw/zinc/30/08/65/169300865.db2.gz WHJFTEFTNYUOTM-UHFFFAOYSA-N 0 0 196.275 1.613 10 0 ADAERN Nc1cnc(-c2ccc(O)cc2)cn1 43022770 169300871 /nfs/dbraw/zinc/30/08/71/169300871.db2.gz YOXDGVOTULWSDO-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ccsc1-c1ncno1 40454054 169300877 /nfs/dbraw/zinc/30/08/77/169300877.db2.gz WLYULDRXGZJOLT-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1ccnn1-c1ccc(F)cc1F 37245379 169300909 /nfs/dbraw/zinc/30/09/09/169300909.db2.gz IAZCCMLJMQKKKO-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1ccoc1C(=O)NCC1CC1 306406515 169300933 /nfs/dbraw/zinc/30/09/33/169300933.db2.gz CWNBBTSKSKVLKC-UHFFFAOYSA-N 0 0 180.207 1.002 10 0 ADAERN Nc1ccsc1-n1ccnc1 39082160 169300937 /nfs/dbraw/zinc/30/09/37/169300937.db2.gz USRFMKWNPLCINM-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1ccnc2sccc12 39048715 169300949 /nfs/dbraw/zinc/30/09/49/169300949.db2.gz CVICSLLSENMNLB-UHFFFAOYSA-N 0 0 150.206 1.879 10 0 ADAERN Nc1c[nH]nc1-c1ccc(F)cc1 42415050 169300958 /nfs/dbraw/zinc/30/09/58/169300958.db2.gz QUVOLGJMWPXAAL-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Nc1ccnc(OCc2ccco2)c1 43569351 169300960 /nfs/dbraw/zinc/30/09/60/169300960.db2.gz CMLWCJOLOBHBPQ-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1ccnn1[C@H]1CCCCC[C@H]1O 54600530 169300970 /nfs/dbraw/zinc/30/09/70/169300970.db2.gz MJTFFDKDVCQTAO-DTWKUNHWSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1cn(-c2ccoc2)cn1 72193501 169300983 /nfs/dbraw/zinc/30/09/83/169300983.db2.gz DAUAKYHNROFLDP-UHFFFAOYSA-N 0 0 149.153 1.048 10 0 ADAERN Nc1cn(-c2ccc(F)c(F)c2)cn1 72193564 169300996 /nfs/dbraw/zinc/30/09/96/169300996.db2.gz FOKNIYKMQQCSGD-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1cn(-c2ccc(Cl)nc2)cn1 72193524 169301013 /nfs/dbraw/zinc/30/10/13/169301013.db2.gz SBXIOPDXKXIXKT-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cnc(-c2cccc(F)c2)nn1 77274889 169301027 /nfs/dbraw/zinc/30/10/27/169301027.db2.gz LLWWPUCIROMMFO-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1ccnn1-c1nc2ccccc2[nH]1 70603336 169301029 /nfs/dbraw/zinc/30/10/29/169301029.db2.gz MLVDWTVOGJRPCZ-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN Nc1cnc(-c2ccc(F)cc2)cn1 44117458 169301032 /nfs/dbraw/zinc/30/10/32/169301032.db2.gz CADGYZRAFIPXSM-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ccnn1[C@H]1CCSC1 19689340 169301045 /nfs/dbraw/zinc/30/10/45/169301045.db2.gz HBQGHAUIDAZEQP-LURJTMIESA-N 0 0 169.253 1.143 10 0 ADAERN Nc1ccsc1C(=O)OCC1CC1 41046667 169301067 /nfs/dbraw/zinc/30/10/67/169301067.db2.gz FZRHZDSRESUHGH-UHFFFAOYSA-N 0 0 197.259 1.897 10 0 ADAERN Nc1c[nH]nc1C1CCCC1 54079585 169301092 /nfs/dbraw/zinc/30/10/92/169301092.db2.gz NNWFRAWEDIWVBF-UHFFFAOYSA-N 0 0 151.213 1.650 10 0 ADAERN Nc1ccnc(Nc2ccccc2)n1 5939112 169301097 /nfs/dbraw/zinc/30/10/97/169301097.db2.gz UIPJIUQDINJHJK-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1ccsc1C(=O)N1CCCC1 40292057 169301101 /nfs/dbraw/zinc/30/11/01/169301101.db2.gz ARMDIYLOOJIHAF-UHFFFAOYSA-N 0 0 196.275 1.566 10 0 ADAERN Nc1cn2nc(C3CC3)sc2n1 82529617 169301105 /nfs/dbraw/zinc/30/11/05/169301105.db2.gz IQFQZOWOBQWIMO-UHFFFAOYSA-N 0 0 180.236 1.250 10 0 ADAERN Nc1ccoc1Br 103596670 169301112 /nfs/dbraw/zinc/30/11/12/169301112.db2.gz GAGYTQVCNXQMEQ-UHFFFAOYSA-N 0 0 161.986 1.624 10 0 ADAERN Nc1cnc(-c2cc[nH]c2)nc1 71495627 169301130 /nfs/dbraw/zinc/30/11/30/169301130.db2.gz JEHWTNPCZJJQLF-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ccnn1[C@@H]1CCCCC[C@H]1O 54600529 169301143 /nfs/dbraw/zinc/30/11/43/169301143.db2.gz MJTFFDKDVCQTAO-RKDXNWHRSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1ccsc1C(=O)NC1CC1 40292282 169301169 /nfs/dbraw/zinc/30/11/69/169301169.db2.gz DWZDPOXGLFLCPZ-UHFFFAOYSA-N 0 0 182.248 1.223 10 0 ADAERN Nc1ccnc(OC[C@@H]2CCCO2)c1 43569459 169301185 /nfs/dbraw/zinc/30/11/85/169301185.db2.gz XBFPJJWCTBMTRM-VIFPVBQESA-N 0 0 194.234 1.222 10 0 ADAERN Nc1cn(-c2cccc(F)c2)cn1 72193530 169301217 /nfs/dbraw/zinc/30/12/17/169301217.db2.gz YMIGOIRRHPXVAW-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Nc1ccnc(OC[C@H]2CCCO2)c1 43569461 169301224 /nfs/dbraw/zinc/30/12/24/169301224.db2.gz XBFPJJWCTBMTRM-SECBINFHSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1cn(-c2ccccc2)nc1N 146670144 169301231 /nfs/dbraw/zinc/30/12/31/169301231.db2.gz NAPYLWNTEWCCQN-UHFFFAOYSA-N 0 0 174.207 1.037 10 0 ADAERN Nc1cnc(-c2ccoc2)s1 44119807 169301320 /nfs/dbraw/zinc/30/13/20/169301320.db2.gz KACVZIUGHQXGIG-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1cnc(N2C[C@H]3CC[C@@H]2C3)nc1 49716157 169301326 /nfs/dbraw/zinc/30/13/26/169301326.db2.gz KZPHOFSRRYCDTR-IONNQARKSA-N 0 0 190.250 1.048 10 0 ADAERN Nc1cnc(CCc2ccco2)nc1 71500355 169301330 /nfs/dbraw/zinc/30/13/30/169301330.db2.gz NZTVAHLBCQNSSB-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN Nc1cnc(-c2ccoc2)cn1 44117367 169301338 /nfs/dbraw/zinc/30/13/38/169301338.db2.gz CKRJWKZZINIQQT-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cnc(N2CCCC2)c(Cl)c1 82531148 169301357 /nfs/dbraw/zinc/30/13/57/169301357.db2.gz ABLQBUYRZOOIEI-UHFFFAOYSA-N 0 0 197.669 1.917 10 0 ADAERN Nc1cnc2nc3ccccc3n2c1 82393370 169301367 /nfs/dbraw/zinc/30/13/67/169301367.db2.gz QRTDBUFKXRDARR-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN Nc1cnc(Cc2ccc(F)cc2)o1 71506045 169301373 /nfs/dbraw/zinc/30/13/73/169301373.db2.gz KBRLKVWHTZUGQU-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1cnc(-c2ccsc2)nc1 36895534 169301381 /nfs/dbraw/zinc/30/13/81/169301381.db2.gz PPERBYHEPXMKPM-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnc(C(F)(F)F)nc1Cl 95931447 169301394 /nfs/dbraw/zinc/30/13/94/169301394.db2.gz ULTDOBVREZPFMZ-UHFFFAOYSA-N 0 0 197.547 1.731 10 0 ADAERN Nc1cnc(F)cc1Cl 95763773 169301431 /nfs/dbraw/zinc/30/14/31/169301431.db2.gz CBSRFSHEGOBGIG-UHFFFAOYSA-N 0 0 146.552 1.456 10 0 ADAERN Nc1cnc(Cl)nc1NC1CC1 96311454 169301432 /nfs/dbraw/zinc/30/14/32/169301432.db2.gz QQXYWKWWYSPJKL-UHFFFAOYSA-N 0 0 184.630 1.287 10 0 ADAERN Nc1cnc2ccccc2c1CO 39251452 169301438 /nfs/dbraw/zinc/30/14/38/169301438.db2.gz USHXHSHYUFADRE-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN Nc1cnc(=O)n(C2CCCCC2)c1 33464463 169301443 /nfs/dbraw/zinc/30/14/43/169301443.db2.gz RTGMTLQWPWWONC-UHFFFAOYSA-N 0 0 193.250 1.331 10 0 ADAERN Nc1cnc(CC2CCOCC2)nc1 82388015 169301458 /nfs/dbraw/zinc/30/14/58/169301458.db2.gz CBXOWAUCLPWKJF-UHFFFAOYSA-N 0 0 193.250 1.028 10 0 ADAERN Nc1cnc2[nH]c(=S)[nH]c2c1 75547210 169301463 /nfs/dbraw/zinc/30/14/63/169301463.db2.gz QXNLHSUGPDCKTK-UHFFFAOYSA-N 0 0 166.209 1.203 10 0 ADAERN Nc1cnc2nc(C3CC3)oc2c1 74327672 169301475 /nfs/dbraw/zinc/30/14/75/169301475.db2.gz ILTOUTCSVKDGHS-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN Nc1cnc(OC2CCCCC2)nc1 40455894 169301477 /nfs/dbraw/zinc/30/14/77/169301477.db2.gz MNAGAJUAQAGBJK-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN Nc1cnc(-c2cscn2)cn1 44117589 169301481 /nfs/dbraw/zinc/30/14/81/169301481.db2.gz NFNIUYWSRJXPGZ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1cnc(-c2ccccn2)s1 44121535 169301483 /nfs/dbraw/zinc/30/14/83/169301483.db2.gz GPUHOLDSRXASDM-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnc(-c2ccco2)cn1 44117338 169301491 /nfs/dbraw/zinc/30/14/91/169301491.db2.gz ZAGVFBNMEVMTJU-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cnc(N2CCCC2)s1 72192554 169301492 /nfs/dbraw/zinc/30/14/92/169301492.db2.gz PSTDBGHFETUPLY-UHFFFAOYSA-N 0 0 169.253 1.326 10 0 ADAERN Nc1cnc(CC(F)(F)F)nc1 42413100 169301494 /nfs/dbraw/zinc/30/14/94/169301494.db2.gz BQVRLKRMNORRRI-UHFFFAOYSA-N 0 0 177.129 1.164 10 0 ADAERN Nc1cnc(-c2ccncc2)cn1 44117651 169301495 /nfs/dbraw/zinc/30/14/95/169301495.db2.gz IQRCZLFZTHTMEA-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cnc(Cc2ccncc2)nc1 53133814 169301498 /nfs/dbraw/zinc/30/14/98/169301498.db2.gz HSGGDCCVDOGPTL-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1cnc2cccc(N)c2c1 90601217 169301513 /nfs/dbraw/zinc/30/15/13/169301513.db2.gz XLBOKSBCSZFOSM-UHFFFAOYSA-N 0 0 159.192 1.399 10 0 ADAERN Nc1cnc(C2CCOCC2)s1 299889250 169301515 /nfs/dbraw/zinc/30/15/15/169301515.db2.gz GMMJUBSZVIAPDF-UHFFFAOYSA-N 0 0 184.264 1.619 10 0 ADAERN Nc1cnc(Cc2ccccc2)nc1 36895503 169301531 /nfs/dbraw/zinc/30/15/31/169301531.db2.gz SIODZEMETHAHOI-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1cnc(-c2cncnc2)s1 72191708 169301535 /nfs/dbraw/zinc/30/15/35/169301535.db2.gz JFWAFFWFBCPKCE-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1cnc(-c2ccco2)o1 71495376 169301576 /nfs/dbraw/zinc/30/15/76/169301576.db2.gz YLWXXYKVSNPCQX-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN Nc1cnc(CCc2ccccc2)nc1 42406859 169301588 /nfs/dbraw/zinc/30/15/88/169301588.db2.gz UQOUBFVTYISNOM-UHFFFAOYSA-N 0 0 199.257 1.844 10 0 ADAERN Nc1cnc(-c2cccs2)nn1 77266980 169301590 /nfs/dbraw/zinc/30/15/90/169301590.db2.gz SVLZYKGRVAWXPJ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1cnc(C=O)cc1OC1CC1 95741735 169301594 /nfs/dbraw/zinc/30/15/94/169301594.db2.gz RKQDLEUCXNBKIE-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cnc(C2CC2)o1 71495189 169301611 /nfs/dbraw/zinc/30/16/11/169301611.db2.gz YPMGDURYMZCOFL-UHFFFAOYSA-N 0 0 124.143 1.134 10 0 ADAERN Nc1cnc2ncc(C3CC3)cn12 82399397 169301625 /nfs/dbraw/zinc/30/16/25/169301625.db2.gz BKYCLCYOOLZREJ-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN Nc1cnc(-n2cccc2)s1 72192555 169301633 /nfs/dbraw/zinc/30/16/33/169301633.db2.gz JVYZDDNLNRHPOK-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1cnc(-c2ccccc2)nc1N 34510899 169301641 /nfs/dbraw/zinc/30/16/41/169301641.db2.gz OMUVXOQQNGVUJC-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1c[nH]c(=O)n1-c1ccccc1 106156681 169301643 /nfs/dbraw/zinc/30/16/43/169301643.db2.gz YYENWKVRRQSQPN-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN Nc1cnc(CCC(F)(F)F)nc1 82389838 169301645 /nfs/dbraw/zinc/30/16/45/169301645.db2.gz XPLFODUIHGRMKN-UHFFFAOYSA-N 0 0 191.156 1.554 10 0 ADAERN Nc1cnc(C2CCC2)cn1 44117299 169301658 /nfs/dbraw/zinc/30/16/58/169301658.db2.gz QCRWTVZRZKNKDP-UHFFFAOYSA-N 0 0 149.197 1.326 10 0 ADAERN Nc1cnc(NCC2CCCC2)nc1 40455632 169301702 /nfs/dbraw/zinc/30/17/02/169301702.db2.gz YLLQURQZXAUAQP-UHFFFAOYSA-N 0 0 192.266 1.661 10 0 ADAERN Nc1cnc2c(c1)CSC2 82407565 169301704 /nfs/dbraw/zinc/30/17/04/169301704.db2.gz UCMDBEQNIXWKDE-UHFFFAOYSA-N 0 0 152.222 1.411 10 0 ADAERN Nc1cnc(-c2ccco2)s1 44119786 169301719 /nfs/dbraw/zinc/30/17/19/169301719.db2.gz IZIDONGVZBISML-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1cnc(-c2ccccc2F)nn1 77274886 169301721 /nfs/dbraw/zinc/30/17/21/169301721.db2.gz XDRMXZWQRNRYKG-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1cnc2c(Cl)cc(F)cn12 82694283 169301748 /nfs/dbraw/zinc/30/17/48/169301748.db2.gz GNNNZYLEBHVYPR-UHFFFAOYSA-N 0 0 185.589 1.709 10 0 ADAERN Nc1cnc(-c2ccoc2)nc1 63046713 169301752 /nfs/dbraw/zinc/30/17/52/169301752.db2.gz JQORGYGDYNRTQZ-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cnc(-c2cccs2)cn1 35986301 169301759 /nfs/dbraw/zinc/30/17/59/169301759.db2.gz NRHPXDJQEQVYSM-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnc(NC2CCCCC2)nc1 40455213 169301765 /nfs/dbraw/zinc/30/17/65/169301765.db2.gz IBJGNTOZVUHLES-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN Nc1cnc(NCc2ccco2)nc1 40455219 169301767 /nfs/dbraw/zinc/30/17/67/169301767.db2.gz GTJPCQLFIQGYJD-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN Nc1cnc(-c2ncc(N)s2)s1 75600766 169301771 /nfs/dbraw/zinc/30/17/71/169301771.db2.gz BYCISDLXNOBZJB-UHFFFAOYSA-N 0 0 198.276 1.431 10 0 ADAERN Nc1cnc(Cc2ccco2)nc1 77265728 169301790 /nfs/dbraw/zinc/30/17/90/169301790.db2.gz LFIACOWMIOBZND-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN Nc1cnc(NC2CC2)c(Cl)c1 82529813 169301795 /nfs/dbraw/zinc/30/17/95/169301795.db2.gz XCVYADGLMLJENW-UHFFFAOYSA-N 0 0 183.642 1.892 10 0 ADAERN Nc1cnc(-c2ccncc2)s1 44121560 169301803 /nfs/dbraw/zinc/30/18/03/169301803.db2.gz XDSZLRLNLNJICE-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnc(-c2ccncc2)nc1 36895494 169301808 /nfs/dbraw/zinc/30/18/08/169301808.db2.gz VCMKBYCHJVBAFS-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cnc(-c2ccccn2)cn1 44117564 169301810 /nfs/dbraw/zinc/30/18/10/169301810.db2.gz BRNVAXLEQIMRJN-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cnc(-c2ccccn2)o1 71495658 169301816 /nfs/dbraw/zinc/30/18/16/169301816.db2.gz UFQFTESISKAUGD-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cnc2[nH]c(C3CCC3)nc2c1 82530154 169301853 /nfs/dbraw/zinc/30/18/53/169301853.db2.gz VYKSDXVRUMUHQK-UHFFFAOYSA-N 0 0 188.234 1.808 10 0 ADAERN Nc1cnc(CCC2CC2)nc1 82404510 169301867 /nfs/dbraw/zinc/30/18/67/169301867.db2.gz MJLFRNJLGVOATB-UHFFFAOYSA-N 0 0 163.224 1.401 10 0 ADAERN Nc1cnc(COc2ccccc2)o1 71500583 169301883 /nfs/dbraw/zinc/30/18/83/169301883.db2.gz YJRJENSYYJBASL-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1cnc(-c2cccnc2)o1 71495659 169301887 /nfs/dbraw/zinc/30/18/87/169301887.db2.gz ZATOPPHYQNZQBW-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cnc(Cc2ccccn2)nc1 36895497 169301916 /nfs/dbraw/zinc/30/19/16/169301916.db2.gz UZPFBJBBLPRTJF-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1cnc(Cc2cccnc2)nc1 53130007 169301920 /nfs/dbraw/zinc/30/19/20/169301920.db2.gz OLTKSEPFFHFFEH-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN Nc1cnc2c(Cl)ccnc2c1 200460543 169301930 /nfs/dbraw/zinc/30/19/30/169301930.db2.gz UWHRLLTYWSNELZ-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1cnc(Oc2cccnc2)nc1 40456116 169301937 /nfs/dbraw/zinc/30/19/37/169301937.db2.gz NKQCKRSSIZOZKR-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN Nc1cnc2c(c1)ncn2C1CC1 82529320 169301945 /nfs/dbraw/zinc/30/19/45/169301945.db2.gz KKZUHWPXHXJLKI-UHFFFAOYSA-N 0 0 174.207 1.348 10 0 ADAERN Nc1cnc2cc(Cl)ccc2n1 34080593 169301950 /nfs/dbraw/zinc/30/19/50/169301950.db2.gz OBVIIEVSLRCJSF-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1cnc(N2CCCCC2)s1 72192562 169301956 /nfs/dbraw/zinc/30/19/56/169301956.db2.gz XQOLOJRTSHPLCM-UHFFFAOYSA-N 0 0 183.280 1.716 10 0 ADAERN Nc1cnc(-c2ccco2)nc1 36805047 169301964 /nfs/dbraw/zinc/30/19/64/169301964.db2.gz OFUNRBZFUTWQKY-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1c[nH]c(=O)n1Cc1ccccc1 107090078 169301975 /nfs/dbraw/zinc/30/19/75/169301975.db2.gz OARYKNJZULBPME-UHFFFAOYSA-N 0 0 189.218 1.219 10 0 ADAERN Nc1cnc(F)c(OC2CC2)c1 95737327 169302016 /nfs/dbraw/zinc/30/20/16/169302016.db2.gz IQWCEZLCSRNIEI-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cnc(NCC2CCC2)nc1 40455621 169302048 /nfs/dbraw/zinc/30/20/48/169302048.db2.gz XXTMXIQECAZHJT-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN Nc1cnc(Cc2cccs2)nc1 52899972 169302059 /nfs/dbraw/zinc/30/20/59/169302059.db2.gz XTYHUDBSSSRVJN-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN Nc1cnc(OCc2ccco2)nc1 40455900 169302078 /nfs/dbraw/zinc/30/20/78/169302078.db2.gz SSTJGFBAZHODSB-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1cnc(Cl)c(OC2CC2)c1 95737348 169302085 /nfs/dbraw/zinc/30/20/85/169302085.db2.gz RWXTYNUMELLHCM-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cnc2ccnc(Cl)c2c1 95763475 169302107 /nfs/dbraw/zinc/30/21/07/169302107.db2.gz ITEKKOHZQORKGW-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1cnc(-c2ccncc2)o1 71495660 169302147 /nfs/dbraw/zinc/30/21/47/169302147.db2.gz JCDKTJBFJQHKFB-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cnc(-c2cccs2)o1 71495928 169302148 /nfs/dbraw/zinc/30/21/48/169302148.db2.gz COSGVPVHSWQWFU-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1cnc2ccccc2c1C=O 39212283 169302167 /nfs/dbraw/zinc/30/21/67/169302167.db2.gz IJJHEVJGFMSUFR-UHFFFAOYSA-N 0 0 172.187 1.630 10 0 ADAERN Nc1cnc(Cc2ccccc2)o1 71496782 169302174 /nfs/dbraw/zinc/30/21/74/169302174.db2.gz GIGZTCNUKDNXGO-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1cnc(N2CCCCCC2)nc1 42273419 169302176 /nfs/dbraw/zinc/30/21/76/169302176.db2.gz XMKFQUURRWGATA-UHFFFAOYSA-N 0 0 192.266 1.439 10 0 ADAERN Nc1cnc(-c2ccccc2F)nc1 58040258 169302181 /nfs/dbraw/zinc/30/21/81/169302181.db2.gz BNTGSPPSAUOLRX-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cnc(-c2cccs2)nc1 34961955 169302185 /nfs/dbraw/zinc/30/21/85/169302185.db2.gz KGLJAHSJVCZJTE-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnc(-c2ccccc2F)cn1 44117630 169302189 /nfs/dbraw/zinc/30/21/89/169302189.db2.gz ANDWOZPPZRLBTK-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cnc(C2CCCC2)cn1 44117312 169302230 /nfs/dbraw/zinc/30/22/30/169302230.db2.gz MEDYZWDIZVCKNF-UHFFFAOYSA-N 0 0 163.224 1.716 10 0 ADAERN Nc1cnc(Cl)cc1OC1CC1 95737350 169302232 /nfs/dbraw/zinc/30/22/32/169302232.db2.gz ZRVKMCAVEISURP-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cnc2[nH]c(C3CC3)nc2c1 74330145 169302241 /nfs/dbraw/zinc/30/22/41/169302241.db2.gz IHAQOFDDYHUXBT-UHFFFAOYSA-N 0 0 174.207 1.418 10 0 ADAERN Nc1cnc(C=O)cc1Cl 95761320 169302245 /nfs/dbraw/zinc/30/22/45/169302245.db2.gz VMXBACGDSDGSJD-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1cnc(C=O)c(OC2CC2)c1 95741736 169302246 /nfs/dbraw/zinc/30/22/46/169302246.db2.gz YTXZGCHAVDHHKP-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cnc2[nH]cc(-c3cn[nH]c3)c2c1 34983257 169302248 /nfs/dbraw/zinc/30/22/48/169302248.db2.gz DBMGDVQJFVOWDN-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Nc1cnc(F)cc1OC1CC1 95737329 169302254 /nfs/dbraw/zinc/30/22/54/169302254.db2.gz GFQOGPWTTWOULD-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cnc2cc(CO)ccc2c1 39119771 169302256 /nfs/dbraw/zinc/30/22/56/169302256.db2.gz RVRYKAOPVKOSDA-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN Nc1cnn(-c2ccc(N)s2)c1 72193417 169302322 /nfs/dbraw/zinc/30/23/22/169302322.db2.gz KTVRQUXZZLOZNH-UHFFFAOYSA-N 0 0 180.236 1.098 10 0 ADAERN Nc1cnccc1-c1ccccn1 82400589 169302326 /nfs/dbraw/zinc/30/23/26/169302326.db2.gz URNBVQCMSSRCRY-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN Nc1cnccc1NC(=O)C1CC1 62725670 169302333 /nfs/dbraw/zinc/30/23/33/169302333.db2.gz ZRYFWHOGPCGYJM-UHFFFAOYSA-N 0 0 177.207 1.012 10 0 ADAERN Nc1cncc(OC2CCCC2)n1 72192511 169302339 /nfs/dbraw/zinc/30/23/39/169302339.db2.gz QHQXKGZYLBXKRO-UHFFFAOYSA-N 0 0 179.223 1.380 10 0 ADAERN Nc1cnccc1SCCCCO 43445794 169302377 /nfs/dbraw/zinc/30/23/77/169302377.db2.gz WFZAQEZYTZAKKR-UHFFFAOYSA-N 0 0 198.291 1.528 10 0 ADAERN Nc1cncc(N)c1Br 45329578 169302389 /nfs/dbraw/zinc/30/23/89/169302389.db2.gz QVGZMMHAVISKPV-UHFFFAOYSA-N 0 0 188.028 1.009 10 0 ADAERN Nc1cnccc1[S@@](=O)CC1CC1 50478026 169302408 /nfs/dbraw/zinc/30/24/08/169302408.db2.gz WSHBUDKAGUSBGG-CYBMUJFWSA-N 0 0 196.275 1.181 10 0 ADAERN Nc1cnccc1OC[C@H]1CCCO1 20370722 169302426 /nfs/dbraw/zinc/30/24/26/169302426.db2.gz OUJPBJDEEYSNFJ-MRVPVSSYSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1cncc(-c2ccc(F)cc2)n1 44120076 169302439 /nfs/dbraw/zinc/30/24/39/169302439.db2.gz WZGXZRZOIFNQNI-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cncn2c1nc1ccccc12 82393369 169302465 /nfs/dbraw/zinc/30/24/65/169302465.db2.gz PVTQICKWFOWRMP-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN Nc1cncc(-c2cccs2)n1 44119979 169302486 /nfs/dbraw/zinc/30/24/86/169302486.db2.gz RGEWDBDSQDUQMC-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnccc1C(=O)C(F)(F)F 95761327 169302511 /nfs/dbraw/zinc/30/25/11/169302511.db2.gz NTWYLYWJCOVQRC-UHFFFAOYSA-N 0 0 190.124 1.409 10 0 ADAERN Nc1cncc(F)c1OC1CC1 95737361 169302537 /nfs/dbraw/zinc/30/25/37/169302537.db2.gz OTOZOYDLAZLTBI-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cncc(-c2ccoc2)n1 44120003 169302575 /nfs/dbraw/zinc/30/25/75/169302575.db2.gz FMNAAHSIBXFWIT-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cnccc1-c1ccco1 82405342 169302595 /nfs/dbraw/zinc/30/25/95/169302595.db2.gz YBVGSJTVBGHTKB-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1cnn(-c2ccc(F)cc2F)c1 35728305 169302616 /nfs/dbraw/zinc/30/26/16/169302616.db2.gz NKERICIVLXACKP-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1cncnc1NCC(F)(F)F 26475074 169302621 /nfs/dbraw/zinc/30/26/21/169302621.db2.gz PVOYUPPGECLLHF-UHFFFAOYSA-N 0 0 192.144 1.033 10 0 ADAERN Nc1cnn(-c2ccc(F)c(F)c2)c1 72193421 169302641 /nfs/dbraw/zinc/30/26/41/169302641.db2.gz ARLXLUSSSCHNKT-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1cncc(C=O)c1OC1CC1 95741641 169302651 /nfs/dbraw/zinc/30/26/51/169302651.db2.gz BANVDALTFKRXNV-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cnccc1OC[C@@H]1CCCO1 20370719 169302657 /nfs/dbraw/zinc/30/26/57/169302657.db2.gz OUJPBJDEEYSNFJ-QMMMGPOBSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1cncc(F)c1Cl 95768712 169302661 /nfs/dbraw/zinc/30/26/61/169302661.db2.gz JCVFOGHUMWGLDG-UHFFFAOYSA-N 0 0 146.552 1.456 10 0 ADAERN Nc1cnn(-c2ccsc2)c1 72193411 169302705 /nfs/dbraw/zinc/30/27/05/169302705.db2.gz LKWRWRUETMHCQS-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1cncc(C2=CCOCC2)c1 142016039 169302712 /nfs/dbraw/zinc/30/27/12/169302712.db2.gz NMSOTSRRHOIRCV-UHFFFAOYSA-N 0 0 176.219 1.468 10 0 ADAERN Nc1cncc(OC2CCCCC2)n1 72192512 169302715 /nfs/dbraw/zinc/30/27/15/169302715.db2.gz NKLPKARHRXDGLY-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN Nc1cnn(CCOC2CCCC2)c1 50615032 169302720 /nfs/dbraw/zinc/30/27/20/169302720.db2.gz XWAJITRVMPXKHI-UHFFFAOYSA-N 0 0 195.266 1.425 10 0 ADAERN Nc1cncc(C2CCC2)n1 44119938 169302721 /nfs/dbraw/zinc/30/27/21/169302721.db2.gz RUEOECZUFNZWFX-UHFFFAOYSA-N 0 0 149.197 1.326 10 0 ADAERN Nc1cnccc1[S@](=O)CC1CC1 50478028 169302765 /nfs/dbraw/zinc/30/27/65/169302765.db2.gz WSHBUDKAGUSBGG-ZDUSSCGKSA-N 0 0 196.275 1.181 10 0 ADAERN Nc1cnn(CCc2ccco2)c1 77266680 169302769 /nfs/dbraw/zinc/30/27/69/169302769.db2.gz IMGKMVNZBAJATF-UHFFFAOYSA-N 0 0 177.207 1.301 10 0 ADAERN Nc1cnn(-c2ccco2)c1 72193410 169302771 /nfs/dbraw/zinc/30/27/71/169302771.db2.gz VDBPHRHSKDBEGA-UHFFFAOYSA-N 0 0 149.153 1.048 10 0 ADAERN Nc1cncc(OC2CCC2)c1 72192781 169302796 /nfs/dbraw/zinc/30/27/96/169302796.db2.gz QGQFCXNQFODPNF-UHFFFAOYSA-N 0 0 164.208 1.595 10 0 ADAERN Nc1cncc(-c2ccsc2)n1 44119991 169302797 /nfs/dbraw/zinc/30/27/97/169302797.db2.gz YMRDFSSYPBQNIV-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cncc(-c2ccccc2F)n1 44120424 169302811 /nfs/dbraw/zinc/30/28/11/169302811.db2.gz IVVGPPDPJBBNKO-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cncc(C2CCOCC2)c1 107459234 169302821 /nfs/dbraw/zinc/30/28/21/169302821.db2.gz LGXJCCVYCUUCSV-UHFFFAOYSA-N 0 0 178.235 1.558 10 0 ADAERN Nc1cnc2ncsc2c1 82408128 169302833 /nfs/dbraw/zinc/30/28/33/169302833.db2.gz DBEZGCLYQLIXKA-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1cncc(-n2cccc2)c1 72192812 169302837 /nfs/dbraw/zinc/30/28/37/169302837.db2.gz KWMHSSVKJIOUDF-UHFFFAOYSA-N 0 0 159.192 1.455 10 0 ADAERN Nc1cnccc1Oc1cccnc1 36904244 169302839 /nfs/dbraw/zinc/30/28/39/169302839.db2.gz FULPVSAGMKDOIF-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN Nc1cncc(-c2cccnc2)n1 44121647 169302849 /nfs/dbraw/zinc/30/28/49/169302849.db2.gz QAXLYPQKJZAURD-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cncc(-c2ccc(=O)[nH]c2)c1 44121279 169302851 /nfs/dbraw/zinc/30/28/51/169302851.db2.gz WBSJDLQGUHAKPC-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1cncc(C(F)(F)F)c1C=O 95756653 169302853 /nfs/dbraw/zinc/30/28/53/169302853.db2.gz PAEFBZHFDMNHSC-UHFFFAOYSA-N 0 0 190.124 1.495 10 0 ADAERN Nc1cncc(C=O)c1Cl 95761321 169302864 /nfs/dbraw/zinc/30/28/64/169302864.db2.gz CUQGWIDAQCNWIF-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1cnccc1NC(=O)CC1CC1 62725640 169302865 /nfs/dbraw/zinc/30/28/65/169302865.db2.gz GMEVCEHHLMDVGD-UHFFFAOYSA-N 0 0 191.234 1.402 10 0 ADAERN Nc1cnccc1OC[C@@H]1CCOC1 49688378 169302871 /nfs/dbraw/zinc/30/28/71/169302871.db2.gz OGHHFHFVNDDATK-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1cnn(-c2cccs2)c1 72193409 169302905 /nfs/dbraw/zinc/30/29/05/169302905.db2.gz QTUXDWCUQCXHPX-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1cnn(-c2ccc(Cl)nc2)c1 72193416 169302909 /nfs/dbraw/zinc/30/29/09/169302909.db2.gz NXOLAMUNIWWEJV-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cncc(-c2cccc(F)c2)n1 44120086 169302912 /nfs/dbraw/zinc/30/29/12/169302912.db2.gz UNZWMPKAHMXZKW-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cncc(C(=O)C(F)(F)F)c1 95761326 169302918 /nfs/dbraw/zinc/30/29/18/169302918.db2.gz LXBUAPSUWRHEDP-UHFFFAOYSA-N 0 0 190.124 1.409 10 0 ADAERN Nc1cnn(-c2ccccc2)c1N 39147856 169302926 /nfs/dbraw/zinc/30/29/26/169302926.db2.gz NDWSQHPRNWYCAH-UHFFFAOYSA-N 0 0 174.207 1.037 10 0 ADAERN Nc1cnccc1SC(F)F 37190052 169302960 /nfs/dbraw/zinc/30/29/60/169302960.db2.gz WUKWCOMIIJIMNF-UHFFFAOYSA-N 0 0 176.191 1.979 10 0 ADAERN Nc1cncc(Cc2ccccc2)n1 90601220 169302970 /nfs/dbraw/zinc/30/29/70/169302970.db2.gz FLTCYUGQOQVMMR-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1cncnc1Nc1ccccc1 75577191 169302975 /nfs/dbraw/zinc/30/29/75/169302975.db2.gz JBOSDOMAVZWBQA-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1cnn(-c2ccoc2)c1 72193412 169302991 /nfs/dbraw/zinc/30/29/91/169302991.db2.gz WACVPOVVXZMGEU-UHFFFAOYSA-N 0 0 149.153 1.048 10 0 ADAERN Nc1cnccc1OC[C@H]1CCOC1 49688379 169302993 /nfs/dbraw/zinc/30/29/93/169302993.db2.gz OGHHFHFVNDDATK-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1cnn(-c2cc(F)cc(F)c2)c1 72193422 169303011 /nfs/dbraw/zinc/30/30/11/169303011.db2.gz OIIPUFNXGPIVCV-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1cncc(-c2ccco2)n1 44119969 169303016 /nfs/dbraw/zinc/30/30/16/169303016.db2.gz LNBZLGNOQHAWQV-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1cncc(C2CCCC2)n1 44119949 169303019 /nfs/dbraw/zinc/30/30/19/169303019.db2.gz QXKQNVSDSHINTI-UHFFFAOYSA-N 0 0 163.224 1.716 10 0 ADAERN Nc1cnn(CCc2ccc[nH]2)c1 77266233 169303029 /nfs/dbraw/zinc/30/30/29/169303029.db2.gz LRSUGVNBKKPVGM-UHFFFAOYSA-N 0 0 176.223 1.036 10 0 ADAERN Nc1cncc(OC2CC2)c1Cl 95737556 169303036 /nfs/dbraw/zinc/30/30/36/169303036.db2.gz UKZQJFWAWGJPSB-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1cnccc1NC(=O)C1CCC1 62725680 169303043 /nfs/dbraw/zinc/30/30/43/169303043.db2.gz TWNKVJRNAUFGRN-UHFFFAOYSA-N 0 0 191.234 1.402 10 0 ADAERN Nc1cncc(Cl)c1C=O 95769136 169303052 /nfs/dbraw/zinc/30/30/52/169303052.db2.gz VKVOQLUURJTSEU-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1cncc(OC2CC2)c1F 95737541 169303057 /nfs/dbraw/zinc/30/30/57/169303057.db2.gz VXTSZEQRRNWMNW-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1cncc(OC2CC2)c1C=O 95738266 169303065 /nfs/dbraw/zinc/30/30/65/169303065.db2.gz IHTUHVQXDDLACZ-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1cncc(-c2ccc(N)nc2)c1 44121274 169303077 /nfs/dbraw/zinc/30/30/77/169303077.db2.gz DARKJDOJOUZFCT-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1cnc2scnc2c1 82408129 169303081 /nfs/dbraw/zinc/30/30/81/169303081.db2.gz XZXNGMQCDZNJPU-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1cnn(CCc2cc[nH]c2)c1 77266236 169303085 /nfs/dbraw/zinc/30/30/85/169303085.db2.gz WYEVCDOEAQQNMT-UHFFFAOYSA-N 0 0 176.223 1.036 10 0 ADAERN Nc1cncc(-c2cscn2)n1 44120251 169303087 /nfs/dbraw/zinc/30/30/87/169303087.db2.gz NZBKKVJLJJXTLV-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1cnccc1OCc1ccco1 20370518 169303110 /nfs/dbraw/zinc/30/31/10/169303110.db2.gz DICYZBNIBYQVNU-UHFFFAOYSA-N 0 0 190.202 1.836 10 0 ADAERN Nc1cnc2oc(C3CC3)nc2c1 74328857 169303124 /nfs/dbraw/zinc/30/31/24/169303124.db2.gz CGVPFXISXQOAFR-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN Nc1cnn(CCOC2CCC2)c1 50615213 169303137 /nfs/dbraw/zinc/30/31/37/169303137.db2.gz FQNKITJRBFIPTQ-UHFFFAOYSA-N 0 0 181.239 1.034 10 0 ADAERN Nc1cnn(Cc2ccccc2)c1N 38303175 169303229 /nfs/dbraw/zinc/30/32/29/169303229.db2.gz URPJUMVYJFHGOR-UHFFFAOYSA-N 0 0 188.234 1.096 10 0 ADAERN Nc1cnn([C@@H]2CCCCC[C@@H]2O)c1 54600711 169303282 /nfs/dbraw/zinc/30/32/82/169303282.db2.gz KOKUZXHZGZXTNA-ZJUUUORDSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1cnn([C@H]2CCCCC[C@H]2O)c1 54600714 169303319 /nfs/dbraw/zinc/30/33/19/169303319.db2.gz KOKUZXHZGZXTNA-VHSXEESVSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1csc([C@H]2CCCOC2)n1 44122144 169303329 /nfs/dbraw/zinc/30/33/29/169303329.db2.gz CGBPGAGTENLXFA-LURJTMIESA-N 0 0 184.264 1.619 10 0 ADAERN Nc1n[nH]c(-c2ccccc2)c1N 39331377 169303364 /nfs/dbraw/zinc/30/33/64/169303364.db2.gz SGJNUIVHFDXMRC-UHFFFAOYSA-N 0 0 174.207 1.241 10 0 ADAERN Nc1cnsc1Cl 75524819 169303374 /nfs/dbraw/zinc/30/33/74/169303374.db2.gz PJGFGDJUEJJPAZ-UHFFFAOYSA-N 0 0 134.591 1.379 10 0 ADAERN Nc1csc([C@@H]2CCOC2)n1 44122102 169303378 /nfs/dbraw/zinc/30/33/78/169303378.db2.gz IIAVTHAVNCDYPS-RXMQYKEDSA-N 0 0 170.237 1.229 10 0 ADAERN Nc1n[nH]c(=O)cc1-c1ccccc1 84450336 169303408 /nfs/dbraw/zinc/30/34/08/169303408.db2.gz BAWMPJVXHFCXRL-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1cnnc(-c2ccccc2F)n1 77274868 169303424 /nfs/dbraw/zinc/30/34/24/169303424.db2.gz ZMGLEJOVDGWVNE-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1coc2ccc(O)cc12 82408704 169303499 /nfs/dbraw/zinc/30/34/99/169303499.db2.gz MOSSPDPSZKPDIJ-UHFFFAOYSA-N 0 0 149.149 1.721 10 0 ADAERN NC1=NNC(c2ccccc2)C1=S 39375409 169303523 /nfs/dbraw/zinc/30/35/23/169303523.db2.gz URUIPZGIYOXRQC-UHFFFAOYSA-N 0 0 191.259 1.948 10 0 ADAERN Nc1cnnc(-c2ccccc2)n1 34515095 169303540 /nfs/dbraw/zinc/30/35/40/169303540.db2.gz SJXIQUPKRXWFJC-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1coc2c1CCC2 105731329 169303557 /nfs/dbraw/zinc/30/35/57/169303557.db2.gz VTBGRYMSFZLQTN-UHFFFAOYSA-N 0 0 123.155 1.351 10 0 ADAERN Nc1cnnc(-c2cccs2)n1 77266974 169303596 /nfs/dbraw/zinc/30/35/96/169303596.db2.gz MHYKPOSIHRKWRF-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1csc2ccccc2c1=O 39644273 169303628 /nfs/dbraw/zinc/30/36/28/169303628.db2.gz WAEWVQCUWPFPPP-UHFFFAOYSA-N 0 0 177.228 1.844 10 0 ADAERN Nc1n[nH]c(N)c1Cc1cccs1 36139265 169303635 /nfs/dbraw/zinc/30/36/35/169303635.db2.gz PSRMIKZGKOLECR-UHFFFAOYSA-N 0 0 194.263 1.226 10 0 ADAERN Nc1n[nH]c2cc(F)c(F)cc12 43828206 169303722 /nfs/dbraw/zinc/30/37/22/169303722.db2.gz BMELMDGFYJJKOF-UHFFFAOYSA-N 0 0 169.134 1.423 10 0 ADAERN Nc1cnnc(-c2ccc(F)cc2)n1 77274864 169303727 /nfs/dbraw/zinc/30/37/27/169303727.db2.gz GFWYCBCMHINJQE-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1coc(Br)c1 105721807 169303733 /nfs/dbraw/zinc/30/37/33/169303733.db2.gz DPQYOQMDCLLAEO-UHFFFAOYSA-N 0 0 161.986 1.624 10 0 ADAERN Nc1n[nH]nc1-c1ccccc1 38880434 169303753 /nfs/dbraw/zinc/30/37/53/169303753.db2.gz VFRADINKOCDNSG-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1n[nH]c([C@H]2C[C@H]3CC[C@@H]2C3)n1 42174861 169303755 /nfs/dbraw/zinc/30/37/55/169303755.db2.gz DTFWQPPZYXKEDD-XVMARJQXSA-N 0 0 178.239 1.291 10 0 ADAERN Nc1csc(-c2ccoc2)n1 44118970 169303762 /nfs/dbraw/zinc/30/37/62/169303762.db2.gz HVULZAFEKISGGJ-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1cnn([C@H]2CCCCC[C@@H]2O)c1 54600712 169303765 /nfs/dbraw/zinc/30/37/65/169303765.db2.gz KOKUZXHZGZXTNA-UWVGGRQHSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1csc(-c2ccco2)n1 34363043 169303776 /nfs/dbraw/zinc/30/37/76/169303776.db2.gz ROLZUEHYXUBFKH-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1csc(-n2cccc2)n1 72192493 169303785 /nfs/dbraw/zinc/30/37/85/169303785.db2.gz FLKJJZLZBGTTMD-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1[nH]nc2c(F)c(F)c(F)cc12 75883919 169303803 /nfs/dbraw/zinc/30/38/03/169303803.db2.gz FMZVUBBMBGQMEQ-UHFFFAOYSA-N 0 0 187.124 1.562 10 0 ADAERN Nc1csc(C(F)F)n1 39134603 169303809 /nfs/dbraw/zinc/30/38/09/169303809.db2.gz HZVGAWJCOKUEEZ-UHFFFAOYSA-N 0 0 150.153 1.663 10 0 ADAERN Nc1cnn([C@@H]2CCCCC[C@H]2O)c1 54600713 169303816 /nfs/dbraw/zinc/30/38/16/169303816.db2.gz KOKUZXHZGZXTNA-NXEZZACHSA-N 0 0 195.266 1.331 10 0 ADAERN Nc1cnoc1C(F)(F)F 82407900 169303841 /nfs/dbraw/zinc/30/38/41/169303841.db2.gz QNBHSOIRDLHPAB-UHFFFAOYSA-N 0 0 152.075 1.276 10 0 ADAERN Nc1n[nH]c2cc(OC(F)F)ccc12 89195966 169303859 /nfs/dbraw/zinc/30/38/59/169303859.db2.gz YCZZFJVOICCTNP-UHFFFAOYSA-N 0 0 199.160 1.747 10 0 ADAERN Nc1n[nH]c(N)c1Cc1ccccc1 98174792 169303863 /nfs/dbraw/zinc/30/38/63/169303863.db2.gz LUAWTRLEWFZLEN-UHFFFAOYSA-N 0 0 188.234 1.165 10 0 ADAERN Nc1cnnc(-c2cccc(F)c2)n1 77274872 169303907 /nfs/dbraw/zinc/30/39/07/169303907.db2.gz NRHRLSABGZENTO-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Nc1csc([C@H]2CCOC2)n1 44122107 169303918 /nfs/dbraw/zinc/30/39/18/169303918.db2.gz IIAVTHAVNCDYPS-YFKPBYRVSA-N 0 0 170.237 1.229 10 0 ADAERN Nc1cnn(Cc2ccco2)c1 40538990 169303919 /nfs/dbraw/zinc/30/39/19/169303919.db2.gz GDDAUBJWTXQPAG-UHFFFAOYSA-N 0 0 163.180 1.107 10 0 ADAERN Nc1c[nH]n2c1nc1ccccc12 90601240 169303926 /nfs/dbraw/zinc/30/39/26/169303926.db2.gz QRGIIYNJVQKHBT-UHFFFAOYSA-N 0 0 172.191 1.398 10 0 ADAERN Nc1n[nH]cc1-c1nc2ccccc2[nH]1 19689416 169303992 /nfs/dbraw/zinc/30/39/92/169303992.db2.gz BNBKZIMPRGCPAO-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Nc1csc(-c2cncnc2)n1 44121757 169304015 /nfs/dbraw/zinc/30/40/15/169304015.db2.gz MACRCGUNUOYRFB-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1csc(OC2CCC2)n1 72192574 169304025 /nfs/dbraw/zinc/30/40/25/169304025.db2.gz XATWWQXAGALBDE-UHFFFAOYSA-N 0 0 170.237 1.657 10 0 ADAERN Nc1csc([C@@H]2CCCOC2)n1 44122139 169304041 /nfs/dbraw/zinc/30/40/41/169304041.db2.gz CGBPGAGTENLXFA-ZCFIWIBFSA-N 0 0 184.264 1.619 10 0 ADAERN Nc1csc2nc(C3CC3)nn12 82529618 169304066 /nfs/dbraw/zinc/30/40/66/169304066.db2.gz JXYAJDJMAFOPTG-UHFFFAOYSA-N 0 0 180.236 1.250 10 0 ADAERN Nc1n[nH]cc1-c1cccnc1Cl 114143974 169304069 /nfs/dbraw/zinc/30/40/69/169304069.db2.gz VWEBSLJLKPPROX-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1n[nH]c2ccc(=S)[nH]c12 89219762 169304073 /nfs/dbraw/zinc/30/40/73/169304073.db2.gz WUMYXXFRFISKJP-UHFFFAOYSA-N 0 0 166.209 1.203 10 0 ADAERN Nc1n[nH]c(N)c1-c1ccccc1 34589215 169304091 /nfs/dbraw/zinc/30/40/91/169304091.db2.gz BRZWFNGADUJWIE-UHFFFAOYSA-N 0 0 174.207 1.241 10 0 ADAERN Nc1nc(CC(F)(F)F)ns1 42413105 169304260 /nfs/dbraw/zinc/30/42/60/169304260.db2.gz GJEWNEJMZMSEJF-UHFFFAOYSA-N 0 0 183.158 1.225 10 0 ADAERN Nc1n[nH]c(CCC2CCCCC2)n1 3723272 169304275 /nfs/dbraw/zinc/30/42/75/169304275.db2.gz ISXWPFFMIAWWIU-UHFFFAOYSA-N 0 0 194.282 1.900 10 0 ADAERN Nc1nc(/C=C/c2ccccc2)no1 75577581 169304291 /nfs/dbraw/zinc/30/42/91/169304291.db2.gz PXDNLQHZFCUQEJ-VOTSOKGWSA-N 0 0 187.202 1.822 10 0 ADAERN Nc1nc(C2CC2)nc2c1CCC2 50844560 169304299 /nfs/dbraw/zinc/30/42/99/169304299.db2.gz SHDKTARLMDMKEN-UHFFFAOYSA-N 0 0 175.235 1.425 10 0 ADAERN Nc1n[nH]c(CC2CCCC2)n1 48630479 169304306 /nfs/dbraw/zinc/30/43/06/169304306.db2.gz AYENGYHIEARHCP-UHFFFAOYSA-N 0 0 166.228 1.120 10 0 ADAERN Nc1nc(-c2ccco2)ns1 36753265 169304330 /nfs/dbraw/zinc/30/43/30/169304330.db2.gz PTMHTJZFLJCDHN-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1nc(=O)[nH]cc1-c1ccsc1 984411 169304347 /nfs/dbraw/zinc/30/43/47/169304347.db2.gz JMPITAMRZJZDDP-UHFFFAOYSA-N 0 0 193.231 1.081 10 0 ADAERN Nc1nc(=O)cc(-c2ccccc2)o1 39626103 169304351 /nfs/dbraw/zinc/30/43/51/169304351.db2.gz LYPBBLWHWXCLDP-UHFFFAOYSA-N 0 0 188.186 1.284 10 0 ADAERN Nc1n[nH]c(-c2ccsc2)n1 19392328 169304353 /nfs/dbraw/zinc/30/43/53/169304353.db2.gz CASYQPXYIPBRPR-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN Nc1n[nH]c(-c2ccc(F)c(F)c2)n1 19283154 169304367 /nfs/dbraw/zinc/30/43/67/169304367.db2.gz SGMSOQLENABKBC-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN Nc1nc(-c2ccccc2)ncc1F 343365 169304416 /nfs/dbraw/zinc/30/44/16/169304416.db2.gz ZPWKNHOKRBABAP-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1nc(-c2cncnc2)cs1 72204640 169304473 /nfs/dbraw/zinc/30/44/73/169304473.db2.gz WAGSFKOQXLZKOJ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1nc(-c2ccccc2N)cs1 20341682 169304486 /nfs/dbraw/zinc/30/44/86/169304486.db2.gz SUSHSIYRYCQMFL-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1nc(-n2cccc2)cs1 72192576 169304495 /nfs/dbraw/zinc/30/44/95/169304495.db2.gz WSXZGGBFEJNUIX-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1n[nH]c(-c2cc(F)cc(F)c2)n1 19276938 169304501 /nfs/dbraw/zinc/30/45/01/169304501.db2.gz DHWUMJZKYBROGV-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN Nc1nc(-c2cccs2)no1 41168101 169304514 /nfs/dbraw/zinc/30/45/14/169304514.db2.gz JFUAMKKQRWIIJE-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1nc(-c2ccccc2)c[nH]c1=O 75577595 169304555 /nfs/dbraw/zinc/30/45/55/169304555.db2.gz BSUAAUOIMYXHGK-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1nc(-c2cncs2)cs1 82688927 169304562 /nfs/dbraw/zinc/30/45/62/169304562.db2.gz DFAORZZNBXBWAJ-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN Nc1nc(=O)[nH]cc1-c1ccccc1 392466 169304567 /nfs/dbraw/zinc/30/45/67/169304567.db2.gz OXNMCOVZKMZLHE-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1nc(CCc2ccccc2)no1 52708806 169304580 /nfs/dbraw/zinc/30/45/80/169304580.db2.gz VWHSHGOYTJCZMP-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN Nc1n[nH]c(C2CCCCCC2)n1 53714004 169304607 /nfs/dbraw/zinc/30/46/07/169304607.db2.gz JELCGJUVGNHIQD-UHFFFAOYSA-N 0 0 180.255 1.825 10 0 ADAERN Nc1n[nH]c(-c2ccnc(Cl)c2)n1 39331742 169304608 /nfs/dbraw/zinc/30/46/08/169304608.db2.gz NIIQWECJBWGDNJ-UHFFFAOYSA-N 0 0 195.613 1.102 10 0 ADAERN Nc1nc(-c2cccc(F)n2)ns1 67173660 169304613 /nfs/dbraw/zinc/30/46/13/169304613.db2.gz DYJOZGVRRKVCJI-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN Nc1nc(-c2cccs2)co1 50266301 169304619 /nfs/dbraw/zinc/30/46/19/169304619.db2.gz CMRDDSZASXQXOA-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1nc(-c2ccc(F)c(F)c2)no1 52708781 169304621 /nfs/dbraw/zinc/30/46/21/169304621.db2.gz WKUXRAROEPYIEM-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1nc(C2CC2)nc2c1CCCC2 50846735 169304666 /nfs/dbraw/zinc/30/46/66/169304666.db2.gz ZAFGXCRZSPDURP-UHFFFAOYSA-N 0 0 189.262 1.815 10 0 ADAERN Nc1nc(C(=O)NC2CCC2)cs1 55189283 169304674 /nfs/dbraw/zinc/30/46/74/169304674.db2.gz JQUDRNFFAVXJOF-UHFFFAOYSA-N 0 0 197.263 1.008 10 0 ADAERN Nc1nc(-c2ccccc2)ncc1O 167429812 169304677 /nfs/dbraw/zinc/30/46/77/169304677.db2.gz FEFGECOLZQMWMR-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1nc(C=O)ccc1Cl 95773591 169304684 /nfs/dbraw/zinc/30/46/84/169304684.db2.gz VKWPNUUZJDLSHK-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1nc(-c2ccccc2O)co1 75566093 169304687 /nfs/dbraw/zinc/30/46/87/169304687.db2.gz DEXDOCMWYVVRLJ-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Nc1nc(-c2ccc(O)cc2)co1 75566088 169304718 /nfs/dbraw/zinc/30/47/18/169304718.db2.gz PZHQJYYEMGYJRD-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Nc1nc(-c2cc(F)cc(F)c2)no1 52708844 169304755 /nfs/dbraw/zinc/30/47/55/169304755.db2.gz OYVVCLXVSGWKSD-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1nc(-c2ccsc2)cc(=O)[nH]1 72417271 169304804 /nfs/dbraw/zinc/30/48/04/169304804.db2.gz XIGSQRGFADIRJU-UHFFFAOYSA-N 0 0 193.231 1.081 10 0 ADAERN Nc1nc(C=O)c(Cl)s1 4198781 169304816 /nfs/dbraw/zinc/30/48/16/169304816.db2.gz MOZLQUAAOIOHJJ-UHFFFAOYSA-N 0 0 162.601 1.191 10 0 ADAERN Nc1n[nH]c(-c2cccc(F)c2F)n1 54189480 169304831 /nfs/dbraw/zinc/30/48/31/169304831.db2.gz AHWJTQZHRACYDF-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN Nc1nc(-c2ccccc2F)ns1 64871421 169304850 /nfs/dbraw/zinc/30/48/50/169304850.db2.gz SJZITORGBNPVQI-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Nc1nc(-c2c[nH]c(C=O)c2)cs1 27633516 169304855 /nfs/dbraw/zinc/30/48/55/169304855.db2.gz GZCAFFHKYWIHDF-UHFFFAOYSA-N 0 0 193.231 1.533 10 0 ADAERN Nc1[nH]c(=S)nc2ccccc12 25968713 169304866 /nfs/dbraw/zinc/30/48/66/169304866.db2.gz AVXPQUZMIHHBFP-UHFFFAOYSA-N 0 0 177.232 1.875 10 0 ADAERN Nc1nc(-c2ccco2)co1 50266272 169304873 /nfs/dbraw/zinc/30/48/73/169304873.db2.gz CDQULHCJTXSADC-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN Nc1nc(C=O)ccc1OC1CC1 95741450 169304886 /nfs/dbraw/zinc/30/48/86/169304886.db2.gz AQYMMHAUDRHNPI-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1nc(C2CCCC2)co1 54079788 169304893 /nfs/dbraw/zinc/30/48/93/169304893.db2.gz SXWVVHJXMOLHAR-UHFFFAOYSA-N 0 0 152.197 1.914 10 0 ADAERN Nc1nc(-c2cc[nH]c2)co1 71495368 169304898 /nfs/dbraw/zinc/30/48/98/169304898.db2.gz MVYKFGLMTYQSCE-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Nc1[nH+]c(=S)[n-]n1-c1ccccc1 75580841 169304914 /nfs/dbraw/zinc/30/49/14/169304914.db2.gz QJGMFDYYJKQUEW-UHFFFAOYSA-N 0 0 192.247 1.512 10 0 ADAERN Nc1n[nH]c(-c2ccc(F)cc2F)n1 19266615 169304931 /nfs/dbraw/zinc/30/49/31/169304931.db2.gz OTXZHWWLPHZGMU-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN Nc1nc(C2CCCC2)ncc1CO 104856089 169304935 /nfs/dbraw/zinc/30/49/35/169304935.db2.gz XJVYVSCIHPLDPR-UHFFFAOYSA-N 0 0 193.250 1.209 10 0 ADAERN Nc1nc(-c2ccc(F)cn2)ns1 67173663 169304956 /nfs/dbraw/zinc/30/49/56/169304956.db2.gz CTPBEKABEHSKOE-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN Nc1nc(C2CCCCC2)no1 52708757 169304969 /nfs/dbraw/zinc/30/49/69/169304969.db2.gz YTXAOGYGPABSBS-UHFFFAOYSA-N 0 0 167.212 1.700 10 0 ADAERN Nc1n[nH]c(-c2ccncc2Cl)n1 75598520 169304973 /nfs/dbraw/zinc/30/49/73/169304973.db2.gz DRDBUJPTJIVUDW-UHFFFAOYSA-N 0 0 195.613 1.102 10 0 ADAERN Nc1nc(-c2cc(F)ccn2)ns1 67173665 169304979 /nfs/dbraw/zinc/30/49/79/169304979.db2.gz DHQHAWYABQWVEU-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN Nc1nc2ccccc2c(=S)[nH]1 25970178 169305010 /nfs/dbraw/zinc/30/50/10/169305010.db2.gz ZJAKAAVAZAYRLO-UHFFFAOYSA-N 0 0 177.232 1.875 10 0 ADAERN Nc1nc(-c2cccc(F)c2)ns1 36753197 169305016 /nfs/dbraw/zinc/30/50/16/169305016.db2.gz IYHSZXRDZGAVKB-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Nc1nc(-c2ccccc2)c(N)s1 74371939 169305024 /nfs/dbraw/zinc/30/50/24/169305024.db2.gz YXXOENRFKBBZKL-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1nc(-c2ccsc2)no1 52708779 169305058 /nfs/dbraw/zinc/30/50/58/169305058.db2.gz BAFWDOFWLJPKEV-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1nc(-c2cc[nH]c2)c(N)s1 82529619 169305113 /nfs/dbraw/zinc/30/51/13/169305113.db2.gz AMXTVSWIVYYAPU-UHFFFAOYSA-N 0 0 180.236 1.303 10 0 ADAERN Nc1nc(-c2ccsc2)co1 50341089 169305114 /nfs/dbraw/zinc/30/51/14/169305114.db2.gz GQDDAQNCMFSRDN-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1nc(-c2ncccc2F)ns1 67173662 169305118 /nfs/dbraw/zinc/30/51/18/169305118.db2.gz HAZNBXXSMXDUBK-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN Nc1nc(C2CC2)cn2ccnc12 44120643 169305137 /nfs/dbraw/zinc/30/51/37/169305137.db2.gz GPDAGYMKZNEVMH-UHFFFAOYSA-N 0 0 174.207 1.189 10 0 ADAERN Nc1n[nH]c(Cc2cccs2)n1 33858292 169305239 /nfs/dbraw/zinc/30/52/39/169305239.db2.gz QCQOEECZTCFAEI-UHFFFAOYSA-N 0 0 180.236 1.039 10 0 ADAERN Nc1nc(Cl)cc(-c2ccco2)n1 72193097 169305261 /nfs/dbraw/zinc/30/52/61/169305261.db2.gz OXFBGUDYEFARNK-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1nc(Cl)nc(-c2ccco2)n1 72192348 169305276 /nfs/dbraw/zinc/30/52/76/169305276.db2.gz ZRPYEWVKKHGUJL-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN Nc1n[nH]c(Cc2ccsc2)n1 48630483 169305304 /nfs/dbraw/zinc/30/53/04/169305304.db2.gz IQXGLDOJJVCNNM-UHFFFAOYSA-N 0 0 180.236 1.039 10 0 ADAERN Nc1nc(COc2ccccc2)no1 54438317 169305322 /nfs/dbraw/zinc/30/53/22/169305322.db2.gz YMMLTQNAFRQZNZ-UHFFFAOYSA-N 0 0 191.190 1.231 10 0 ADAERN Nc1nc(N)c2ccc(Cl)cc2n1 1682790 169305348 /nfs/dbraw/zinc/30/53/48/169305348.db2.gz QKOTXKPWZCAXLB-UHFFFAOYSA-N 0 0 194.625 1.448 10 0 ADAERN Nc1nc(Nc2cccc(O)c2)no1 75580515 169305371 /nfs/dbraw/zinc/30/53/71/169305371.db2.gz NUQKTLMQRWEGGV-UHFFFAOYSA-N 0 0 192.178 1.101 10 0 ADAERN Nc1nc(COC2CCC2)cs1 50520595 169305443 /nfs/dbraw/zinc/30/54/43/169305443.db2.gz YFKZMWGXAPLAKG-UHFFFAOYSA-N 0 0 184.264 1.794 10 0 ADAERN Nc1nc(Cc2cccs2)ns1 52899982 169305447 /nfs/dbraw/zinc/30/54/47/169305447.db2.gz SBRDHHRBRJYRHW-UHFFFAOYSA-N 0 0 197.288 1.773 10 0 ADAERN Nc1nc(N2CCCC2)cs1 34530214 169305484 /nfs/dbraw/zinc/30/54/84/169305484.db2.gz AXEDQKBAYNSQDH-UHFFFAOYSA-N 0 0 169.253 1.326 10 0 ADAERN Nc1nc(Cc2cccc(F)c2)no1 52708798 169305502 /nfs/dbraw/zinc/30/55/02/169305502.db2.gz ZMVDYBAUMIRAEV-UHFFFAOYSA-N 0 0 193.181 1.382 10 0 ADAERN Nc1nc(N)nc(C2CCCCC2)n1 31333100 169305503 /nfs/dbraw/zinc/30/55/03/169305503.db2.gz HAPDXSYZMFVBBH-UHFFFAOYSA-N 0 0 193.254 1.084 10 0 ADAERN Nc1nc(Cl)ccc1OC1CC1 95742235 169305507 /nfs/dbraw/zinc/30/55/07/169305507.db2.gz WUPTWLHIXWOKDY-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1nc(Cc2ccccc2)co1 70601621 169305525 /nfs/dbraw/zinc/30/55/25/169305525.db2.gz XGZQZIGAOWQXBN-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1nc(COCC2CC2)cs1 34960605 169305560 /nfs/dbraw/zinc/30/55/60/169305560.db2.gz BHWAGBNTUIENDG-UHFFFAOYSA-N 0 0 184.264 1.652 10 0 ADAERN Nc1nc(NC=O)cc2ccccc12 75577582 169305586 /nfs/dbraw/zinc/30/55/86/169305586.db2.gz JUFQYHUPPMPEBL-UHFFFAOYSA-N 0 0 187.202 1.385 10 0 ADAERN Nc1nc(Cl)nc(-c2ccoc2)n1 72192350 169305606 /nfs/dbraw/zinc/30/56/06/169305606.db2.gz SYAISCXYGCTQCP-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN Nc1nc(Cl)cc(-c2ccoc2)n1 72193099 169305621 /nfs/dbraw/zinc/30/56/21/169305621.db2.gz YXYFDAAWDGROES-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1nc(N2CCCCCC2)ns1 20388091 169305648 /nfs/dbraw/zinc/30/56/48/169305648.db2.gz UBJKGHNQOZOKBQ-UHFFFAOYSA-N 0 0 198.295 1.501 10 0 ADAERN Nc1nc(Cl)nc2ncccc12 19770034 169305657 /nfs/dbraw/zinc/30/56/57/169305657.db2.gz KMPBBPCCUZMTFK-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN Nc1nc(Cl)nc(C2CCC2)n1 72192373 169305679 /nfs/dbraw/zinc/30/56/79/169305679.db2.gz ZKDQJQWIMCDQGL-UHFFFAOYSA-N 0 0 184.630 1.375 10 0 ADAERN Nc1nc(Nc2ccc(F)cc2)no1 39256713 169305698 /nfs/dbraw/zinc/30/56/98/169305698.db2.gz KPAYEDPQSPRQMD-UHFFFAOYSA-N 0 0 194.169 1.535 10 0 ADAERN Nc1nc(Cc2cccnc2)ns1 53130024 169305722 /nfs/dbraw/zinc/30/57/22/169305722.db2.gz BCORIQPEYJZKQC-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN Nc1n[nH]c(Nc2cccc(F)c2)n1 72416781 169305742 /nfs/dbraw/zinc/30/57/42/169305742.db2.gz ZFXRLLNSUBJYQU-UHFFFAOYSA-N 0 0 193.185 1.270 10 0 ADAERN Nc1nc(Cl)c2c(n1)CSC2 75578141 169305748 /nfs/dbraw/zinc/30/57/48/169305748.db2.gz VMJPZFHJUMIORK-UHFFFAOYSA-N 0 0 187.655 1.459 10 0 ADAERN Nc1nc(Cc2ccccn2)ns1 36753225 169305836 /nfs/dbraw/zinc/30/58/36/169305836.db2.gz ABNIRZJPLRCQPE-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN Nc1nc(Cl)c2c(n1)N=NC2 89222718 169305896 /nfs/dbraw/zinc/30/58/96/169305896.db2.gz ZSZVXHRMSUWSJR-UHFFFAOYSA-N 0 0 169.575 1.310 10 0 ADAERN Nc1nc(Cc2ccccc2F)no1 52708817 169305922 /nfs/dbraw/zinc/30/59/22/169305922.db2.gz KRDGDADEZUQRNK-UHFFFAOYSA-N 0 0 193.181 1.382 10 0 ADAERN NC1=NC(=O)C(c2ccccc2)O1 13831153 169305945 /nfs/dbraw/zinc/30/59/45/169305945.db2.gz HDOVLPFABNJQJO-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Nc1nc(Cl)nc2c1CCCC2 38672021 169305951 /nfs/dbraw/zinc/30/59/51/169305951.db2.gz FJKFSBRHRGKSGG-UHFFFAOYSA-N 0 0 183.642 1.591 10 0 ADAERN Nc1n[nH]c(Cc2ccccc2F)n1 3723283 169305964 /nfs/dbraw/zinc/30/59/64/169305964.db2.gz PQHLNKUKZLQZNF-UHFFFAOYSA-N 0 0 192.197 1.117 10 0 ADAERN Nc1nc(F)cc(F)c1F 39088354 169305989 /nfs/dbraw/zinc/30/59/89/169305989.db2.gz BWIPXQWHJMCRHC-UHFFFAOYSA-N 0 0 148.087 1.081 10 0 ADAERN Nc1nc(N)c2c(F)c(F)ccc2n1 34478661 169306033 /nfs/dbraw/zinc/30/60/33/169306033.db2.gz IYMDDXAEKXYKFI-UHFFFAOYSA-N 0 0 196.160 1.072 10 0 ADAERN Nc1nc(Nc2ccccc2)no1 39255603 169306038 /nfs/dbraw/zinc/30/60/38/169306038.db2.gz OAVQIQSUOGMLCU-UHFFFAOYSA-N 0 0 176.179 1.395 10 0 ADAERN Nc1nc(N)c2cccc(Cl)c2n1 39326126 169306039 /nfs/dbraw/zinc/30/60/39/169306039.db2.gz IFLLNPSMZSCYOH-UHFFFAOYSA-N 0 0 194.625 1.448 10 0 ADAERN Nc1nc(Nc2ccccc2)ns1 345287 169306073 /nfs/dbraw/zinc/30/60/73/169306073.db2.gz JHFYFWKYEQXASC-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN Nc1nc(F)ccc1OC1CC1 95734383 169306080 /nfs/dbraw/zinc/30/60/80/169306080.db2.gz JZGJBRUMBULSRA-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1nc(F)cc(Cl)c1F 205620564 169306105 /nfs/dbraw/zinc/30/61/05/169306105.db2.gz QVIPVFMEQJTSJV-UHFFFAOYSA-N 0 0 164.542 1.595 10 0 ADAERN Nc1nc(Cl)c2c(C=O)c[nH]c2n1 82385453 169306111 /nfs/dbraw/zinc/30/61/11/169306111.db2.gz XKSSMXZCXPHLTK-UHFFFAOYSA-N 0 0 196.597 1.006 10 0 ADAERN Nc1nc(N2CCCCC2)ns1 50436827 169306128 /nfs/dbraw/zinc/30/61/28/169306128.db2.gz SEGKMJNIEHLBTF-UHFFFAOYSA-N 0 0 184.268 1.111 10 0 ADAERN Nc1nc(Cl)c2cccnc2n1 85343184 169306146 /nfs/dbraw/zinc/30/61/46/169306146.db2.gz AXCWSHNOWYPZKH-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN Nc1nc(Cc2ccncc2)ns1 53133838 169306192 /nfs/dbraw/zinc/30/61/92/169306192.db2.gz PBQGMRNTWSOVDP-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN Nc1nc(Cc2cccs2)no1 52901226 169306218 /nfs/dbraw/zinc/30/62/18/169306218.db2.gz IYNYBYVMRIBZHK-UHFFFAOYSA-N 0 0 181.220 1.304 10 0 ADAERN Nc1nc(N)c2cc(F)c(F)cc2n1 34478663 169306236 /nfs/dbraw/zinc/30/62/36/169306236.db2.gz VOPAUWXAEJVWCH-UHFFFAOYSA-N 0 0 196.160 1.072 10 0 ADAERN Nc1nc(Cl)nc2ccncc12 299889319 169306251 /nfs/dbraw/zinc/30/62/51/169306251.db2.gz HOXFDRIZUXTRES-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN Nc1nc2cc3c(cc2s1)OCC3 40543173 169306344 /nfs/dbraw/zinc/30/63/44/169306344.db2.gz JSUATWXHSHBPJV-UHFFFAOYSA-N 0 0 192.243 1.813 10 0 ADAERN Nc1nc2c(s1)[C@H](O)CCC2 38541136 169306347 /nfs/dbraw/zinc/30/63/47/169306347.db2.gz KIBLHQQAHSKIRR-RXMQYKEDSA-N 0 0 170.237 1.095 10 0 ADAERN Nc1nc2cc(F)c(O)cc2s1 44857467 169306362 /nfs/dbraw/zinc/30/63/62/169306362.db2.gz GSCMRNPYEZCJQV-UHFFFAOYSA-N 0 0 184.195 1.723 10 0 ADAERN Nc1nc2c(s1)SCC2 83251423 169306427 /nfs/dbraw/zinc/30/64/27/169306427.db2.gz SABOSSVFGWHODV-UHFFFAOYSA-N 0 0 158.251 1.374 10 0 ADAERN Nc1nc2c(ccc3nccnc32)[nH]1 95922880 169306472 /nfs/dbraw/zinc/30/64/72/169306472.db2.gz SHVHOBBEPCHXQL-UHFFFAOYSA-N 0 0 185.190 1.088 10 0 ADAERN Nc1nc2c(Cl)cncc2s1 238606105 169306474 /nfs/dbraw/zinc/30/64/74/169306474.db2.gz OYBGJHWNVJRGKE-UHFFFAOYSA-N 0 0 185.639 1.927 10 0 ADAERN Nc1nc2cc3c(cc2o1)OCCO3 62521501 169306525 /nfs/dbraw/zinc/30/65/25/169306525.db2.gz DGKMEHPUFFGOJL-UHFFFAOYSA-N 0 0 192.174 1.181 10 0 ADAERN Nc1nc2c(s1)[C@@H](O)CCC2 38541138 169306548 /nfs/dbraw/zinc/30/65/48/169306548.db2.gz KIBLHQQAHSKIRR-YFKPBYRVSA-N 0 0 170.237 1.095 10 0 ADAERN Nc1nc2cc3ccccc3cc2n1N 95923181 169306625 /nfs/dbraw/zinc/30/66/25/169306625.db2.gz ODHWNIRIAXWQPY-UHFFFAOYSA-N 0 0 198.229 1.486 10 0 ADAERN Nc1nc2c(Cl)nccc2s1 89229204 169306764 /nfs/dbraw/zinc/30/67/64/169306764.db2.gz RFFVHCDQXKGXAX-UHFFFAOYSA-N 0 0 185.639 1.927 10 0 ADAERN Nc1nc2cc(O)ccc2o1 59814914 169306770 /nfs/dbraw/zinc/30/67/70/169306770.db2.gz NUZLSMVEPPRZMW-UHFFFAOYSA-N 0 0 150.137 1.116 10 0 ADAERN Nc1nc2cc(C=O)ccc2o1 97757401 169306828 /nfs/dbraw/zinc/30/68/28/169306828.db2.gz WMXJKPPSXBAGSI-UHFFFAOYSA-N 0 0 162.148 1.223 10 0 ADAERN Nc1nc2cc3n[nH]cc3cc2s1 95931524 169306863 /nfs/dbraw/zinc/30/68/63/169306863.db2.gz SURJGSWHTDOCDM-UHFFFAOYSA-N 0 0 190.231 1.755 10 0 ADAERN Nc1nc(Oc2ccccc2)no1 83272609 169306864 /nfs/dbraw/zinc/30/68/64/169306864.db2.gz PYAJBPINCGOGFT-UHFFFAOYSA-N 0 0 177.163 1.444 10 0 ADAERN Nc1nc2c(s1)SCCC2=O 112942079 169306915 /nfs/dbraw/zinc/30/69/15/169306915.db2.gz OORMIULDNWAPRV-UHFFFAOYSA-N 0 0 186.261 1.404 10 0 ADAERN Nc1nc2c(CCO)cccc2s1 45236684 169306977 /nfs/dbraw/zinc/30/69/77/169306977.db2.gz FXJXVIHURMNPDR-UHFFFAOYSA-N 0 0 194.259 1.413 10 0 ADAERN Nc1nc2cc(O)c(F)cc2s1 45236006 169307066 /nfs/dbraw/zinc/30/70/66/169307066.db2.gz TUIHEJZZELOMDZ-UHFFFAOYSA-N 0 0 184.195 1.723 10 0 ADAERN Nc1nc2ccc(Cl)cc2c(=O)o1 104396255 169307108 /nfs/dbraw/zinc/30/71/08/169307108.db2.gz LROCHXCRSLADHR-UHFFFAOYSA-N 0 0 196.593 1.424 10 0 ADAERN Nc1nc2ccnc(-c3ccc[nH]3)c2[nH]1 28705350 169307192 /nfs/dbraw/zinc/30/71/92/169307192.db2.gz BPADIXRUNSRDOT-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Nc1nc2c3ccccc3ccn2n1 59750970 169307251 /nfs/dbraw/zinc/30/72/51/169307251.db2.gz IKORGZZUWNEZMY-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN Nc1nc2[nH]ccc2c(=S)[nH]1 45253075 169307342 /nfs/dbraw/zinc/30/73/42/169307342.db2.gz JOGOXDMLVHWTMG-UHFFFAOYSA-N 0 0 166.209 1.203 10 0 ADAERN Nc1nc2ccc(Cl)cc2nc1N 39240825 169307391 /nfs/dbraw/zinc/30/73/91/169307391.db2.gz RQWVBQOUWJUMRS-UHFFFAOYSA-N 0 0 194.625 1.448 10 0 ADAERN Nc1nc(C(F)(F)F)cc(=S)[nH]1 33846820 169307430 /nfs/dbraw/zinc/30/74/30/169307430.db2.gz VPMSWQPUSXNXFR-UHFFFAOYSA-N 0 0 195.169 1.366 10 0 ADAERN Nc1ncc(-c2ccncc2)cc1F 47212349 169307459 /nfs/dbraw/zinc/30/74/59/169307459.db2.gz KDBPLHKNSFVLMY-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncc(C2CCC2)cn1 39052742 169307462 /nfs/dbraw/zinc/30/74/62/169307462.db2.gz HTGNOWBXQRCKDC-UHFFFAOYSA-N 0 0 149.197 1.326 10 0 ADAERN Nc1ncc(Cc2ccccc2)cn1 25491134 169307498 /nfs/dbraw/zinc/30/74/98/169307498.db2.gz SZKRQNMSZGSZOL-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1ncc(-c2ccoc2)cn1 72192107 169307516 /nfs/dbraw/zinc/30/75/16/169307516.db2.gz BIXRYWKMDUXALJ-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1ncc(-c2ccccc2O)o1 299889656 169307578 /nfs/dbraw/zinc/30/75/78/169307578.db2.gz MMZXLTMSAISZEQ-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Nc1nc[nH]c1C(F)(F)F 82408286 169307591 /nfs/dbraw/zinc/30/75/91/169307591.db2.gz BBGYGMVCSPXNLZ-UHFFFAOYSA-N 0 0 151.091 1.011 10 0 ADAERN Nc1nc2sc3c(n2n1)CCCC3 31891191 169307598 /nfs/dbraw/zinc/30/75/98/169307598.db2.gz RGXTXQRPXBIEDP-UHFFFAOYSA-N 0 0 194.263 1.252 10 0 ADAERN Nc1nc[nH]c(=O)c1-c1ccccc1 19877766 169307627 /nfs/dbraw/zinc/30/76/27/169307627.db2.gz IQZHOLZVCUGIKO-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN Nc1ncc(-n2cccc2)s1 72192590 169307662 /nfs/dbraw/zinc/30/76/62/169307662.db2.gz MSRBXVPIQJJLEA-UHFFFAOYSA-N 0 0 165.221 1.516 10 0 ADAERN Nc1ncc(Cc2ccccc2)o1 95761664 169307678 /nfs/dbraw/zinc/30/76/78/169307678.db2.gz CLOHIGYLDYVGPR-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1ncc(-c2ccoc2)s1 68978208 169307736 /nfs/dbraw/zinc/30/77/36/169307736.db2.gz IBNODQLVZVCONN-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1nc2ccc3c[nH]nc3c2s1 95931531 169307739 /nfs/dbraw/zinc/30/77/39/169307739.db2.gz FLPFCYCICHEOBA-UHFFFAOYSA-N 0 0 190.231 1.755 10 0 ADAERN Nc1nc2cccnc2n1C1CC1 83254258 169307745 /nfs/dbraw/zinc/30/77/45/169307745.db2.gz SWXMAVWUOZLOLX-UHFFFAOYSA-N 0 0 174.207 1.348 10 0 ADAERN Nc1ncc(Cl)c2cc[nH]c12 89212989 169307762 /nfs/dbraw/zinc/30/77/62/169307762.db2.gz GHVOSGMKLKOFGT-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 in-vitro ADAERN Nc1nc2ccc3[nH]cnc3c2s1 10338363 169307811 /nfs/dbraw/zinc/30/78/11/169307811.db2.gz ZXDGBAAVLSDTRD-UHFFFAOYSA-N 0 0 190.231 1.755 10 0 ADAERN Nc1nc2cccccc-2n1 33797213 169307818 /nfs/dbraw/zinc/30/78/18/169307818.db2.gz XZMXYKSOWURFMX-UHFFFAOYSA-N 0 0 145.165 1.164 10 0 ADAERN Nc1ncc(Cl)cc1OC1CC1 95737411 169307873 /nfs/dbraw/zinc/30/78/73/169307873.db2.gz CTZCEVBLGRXLDM-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1ncc(C(F)(F)F)nc1Cl 95762179 169307875 /nfs/dbraw/zinc/30/78/75/169307875.db2.gz RVCZCLSMQQUTHL-UHFFFAOYSA-N 0 0 197.547 1.731 10 0 ADAERN Nc1ncc(-c2ccco2)cn1 72192105 169307898 /nfs/dbraw/zinc/30/78/98/169307898.db2.gz LYRIRVVVMRHKOF-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1ncc(-c2ccc(F)cc2)cn1 47203686 169307900 /nfs/dbraw/zinc/30/79/00/169307900.db2.gz ZBVCVRDYFKWLKM-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1nc[nH]c1Oc1ccccc1 83272313 169307909 /nfs/dbraw/zinc/30/79/09/169307909.db2.gz DBHBBFCHCDAUKS-UHFFFAOYSA-N 0 0 175.191 1.784 10 0 ADAERN Nc1ncc(C=O)cc1OC1CC1 95741608 169307919 /nfs/dbraw/zinc/30/79/19/169307919.db2.gz PQWSCBMFSBDIDM-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1ncc(-c2cc[nH]c2)o1 71495367 169307982 /nfs/dbraw/zinc/30/79/82/169307982.db2.gz QJWTWYIFGHDFLG-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Nc1ncc(Cl)c(Cl)c1O 21981830 169307988 /nfs/dbraw/zinc/30/79/88/169307988.db2.gz OHLNVFMUFLEDHY-UHFFFAOYSA-N 0 0 179.006 1.676 10 0 ADAERN Nc1ncc(-c2cccnc2)cc1F 47212347 169308014 /nfs/dbraw/zinc/30/80/14/169308014.db2.gz UYRCUVJIRXINJH-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncc(-c2cccs2)cn1 35962286 169308016 /nfs/dbraw/zinc/30/80/16/169308016.db2.gz IAHCPJWHNJHMKY-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ncc(Cl)c2cccnc12 75569655 169308041 /nfs/dbraw/zinc/30/80/41/169308041.db2.gz GOXDLAAHCZLFDK-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1ncc(-c2cscn2)cn1 72204578 169308058 /nfs/dbraw/zinc/30/80/58/169308058.db2.gz BOBNESPWBOLSNV-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1ncc(-c2ccccc2)nc1N 75577193 169308117 /nfs/dbraw/zinc/30/81/17/169308117.db2.gz ZIIKKNNQZLDMFD-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN Nc1nc2sncc2s1 39134820 169308142 /nfs/dbraw/zinc/30/81/42/169308142.db2.gz ZZZUHCINCFZFAR-UHFFFAOYSA-N 0 0 157.223 1.335 10 0 ADAERN Nc1ncc(-c2cccc(O)c2)o1 299889124 169308148 /nfs/dbraw/zinc/30/81/48/169308148.db2.gz DTBHQNRGKVIALD-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN Nc1ncc(-c2cccnc2)cn1 47212431 169308204 /nfs/dbraw/zinc/30/82/04/169308204.db2.gz PFUBNHHFFFSNDV-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ncc(-c2ccco2)s1 68978246 169308233 /nfs/dbraw/zinc/30/82/33/169308233.db2.gz LIKVAWLXAGPXPU-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1nc(C(=O)c2ccccc2)c[nH]1 196196819 169308256 /nfs/dbraw/zinc/30/82/56/169308256.db2.gz SYEOBBUCDUZZNP-UHFFFAOYSA-N 0 0 187.202 1.223 10 0 ADAERN Nc1ncc(-c2cncnc2)s1 52886555 169308291 /nfs/dbraw/zinc/30/82/91/169308291.db2.gz WVYFZEXUZHVPED-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1ncc(-c2cccc(F)c2)cn1 47203684 169308311 /nfs/dbraw/zinc/30/83/11/169308311.db2.gz XEBVXECQPAEABB-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncc(-c2ccncc2)cn1 8436810 169308318 /nfs/dbraw/zinc/30/83/18/169308318.db2.gz FSHIOHCNOLTWBC-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ncc(-c2ccccc2F)cn1 47203683 169308327 /nfs/dbraw/zinc/30/83/27/169308327.db2.gz KNUXQTMCNJNKIK-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncc(-c2cncc(F)c2)s1 49576609 169308335 /nfs/dbraw/zinc/30/83/35/169308335.db2.gz MWMDDLFXAVEYIA-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Nc1ncc(-c2ccsc2)cn1 38258491 169308383 /nfs/dbraw/zinc/30/83/83/169308383.db2.gz OEBDKOSBMPRAMH-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ncc(C2CCCC2)cn1 72192094 169308406 /nfs/dbraw/zinc/30/84/06/169308406.db2.gz OCXDNNZPMPHTOX-UHFFFAOYSA-N 0 0 163.224 1.716 10 0 ADAERN Nc1nccc2c(Cl)nccc12 222911686 169308418 /nfs/dbraw/zinc/30/84/18/169308418.db2.gz GSIVMNXMHKSFRS-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Nc1ncc(N2CCCCC2)s1 72192597 169308427 /nfs/dbraw/zinc/30/84/27/169308427.db2.gz UJXHDWLZPVEBIH-UHFFFAOYSA-N 0 0 183.280 1.716 10 0 ADAERN Nc1ncc(OC2CC2)cc1Cl 95737596 169308441 /nfs/dbraw/zinc/30/84/41/169308441.db2.gz MEMLESRTGPJUFW-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1ncc2cc(Cl)cnc2n1 140614977 169308445 /nfs/dbraw/zinc/30/84/45/169308445.db2.gz VXPBGKZZGVEBHV-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN Nc1ncccc1C1(O)CCCC1 34144016 169308448 /nfs/dbraw/zinc/30/84/48/169308448.db2.gz KWHWMDZOJHMKQZ-UHFFFAOYSA-N 0 0 178.235 1.425 10 0 ADAERN Nc1ncc(F)cc1OC1CC1 95737390 169308453 /nfs/dbraw/zinc/30/84/53/169308453.db2.gz ZEQSZHFCEFVQCC-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1ncc2ccsc2n1 59106698 169308474 /nfs/dbraw/zinc/30/84/74/169308474.db2.gz NRAOLILGQIRZBT-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 in-vitro ADAERN Nc1nccc(/C=C/c2ccncc2)n1 58598770 169308481 /nfs/dbraw/zinc/30/84/81/169308481.db2.gz OTOIXBNUSIIMPD-OWOJBTEDSA-N 0 0 198.229 1.624 10 0 ADAERN Nc1ncccc1-c1cccnc1 38760489 169308502 /nfs/dbraw/zinc/30/85/02/169308502.db2.gz ZKDRHGPINCUARO-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN Nc1ncccc1C(=O)c1ccco1 21984037 169308535 /nfs/dbraw/zinc/30/85/35/169308535.db2.gz YDMJMNOOUFBFBJ-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN Nc1nccc(/C=C/c2cccnc2)n1 58487483 169308550 /nfs/dbraw/zinc/30/85/50/169308550.db2.gz RNIPAWUERMKGSL-ONEGZZNKSA-N 0 0 198.229 1.624 10 0 ADAERN Nc1nccc(-c2cccc(F)c2)n1 32223404 169308578 /nfs/dbraw/zinc/30/85/78/169308578.db2.gz QWEUTQRWNFQNKG-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1nccc(C=O)c1OC1CC1 95741571 169308586 /nfs/dbraw/zinc/30/85/86/169308586.db2.gz MFHNTBCCZAOOOY-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1nccc(C=O)c1Cl 95773574 169308603 /nfs/dbraw/zinc/30/86/03/169308603.db2.gz NWQGSELPHGAXSZ-UHFFFAOYSA-N 0 0 156.572 1.130 10 0 ADAERN Nc1ncccc1COC1CCC1 52755577 169308609 /nfs/dbraw/zinc/30/86/09/169308609.db2.gz BDXFDYOIYFVLRT-UHFFFAOYSA-N 0 0 178.235 1.733 10 0 ADAERN Nc1nccc2scnc12 39134797 169308648 /nfs/dbraw/zinc/30/86/48/169308648.db2.gz WBCDWWNPOVCQMK-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1ncccc1CNc1ccon1 83341532 169308652 /nfs/dbraw/zinc/30/86/52/169308652.db2.gz LFPIEFVOTIUSBM-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN Nc1ncccc1-c1ccccn1 75561029 169308666 /nfs/dbraw/zinc/30/86/66/169308666.db2.gz SNUBIAATHADXFP-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN Nc1ncc(F)cc1-c1cccnc1 47212343 169308692 /nfs/dbraw/zinc/30/86/92/169308692.db2.gz KATZQGQXLCXOOX-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncccc1-c1ccncc1 47212422 169308693 /nfs/dbraw/zinc/30/86/93/169308693.db2.gz DIBGIZONEQBKHF-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN Nc1ncc(Sc2ncc[nH]2)s1 13670 169308695 /nfs/dbraw/zinc/30/86/95/169308695.db2.gz XBDGDAQTSPPQAL-UHFFFAOYSA-N 0 0 198.276 1.600 10 0 ADAERN Nc1nccc2ncsc12 96663641 169308699 /nfs/dbraw/zinc/30/86/99/169308699.db2.gz DTORQMGJINOVCQ-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1nccc(OC2CC2)c1F 95737600 169308707 /nfs/dbraw/zinc/30/87/07/169308707.db2.gz JGBFCZXCPHRHOE-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1nccc(F)c1OC1CC1 95737415 169308714 /nfs/dbraw/zinc/30/87/14/169308714.db2.gz GWVNUXCMNJJPSM-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1ncc(OC(F)(F)F)cc1F 30677975 169308727 /nfs/dbraw/zinc/30/87/27/169308727.db2.gz MMYKYZWMPYRJNJ-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1ncccc1C1(O)CCCCC1 34144024 169308773 /nfs/dbraw/zinc/30/87/73/169308773.db2.gz UZXBGNDHAFDGLL-UHFFFAOYSA-N 0 0 192.262 1.816 10 0 ADAERN Nc1nccc(/C=C/c2ccco2)n1 58575561 169308781 /nfs/dbraw/zinc/30/87/81/169308781.db2.gz MPNIETIKINOPSG-ONEGZZNKSA-N 0 0 187.202 1.822 10 0 ADAERN Nc1nccc(-c2cc[nH]c2)n1 71495626 169308803 /nfs/dbraw/zinc/30/88/03/169308803.db2.gz OVERTTANIOQWCL-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1ncccc1-n1cccc1 39651784 169308817 /nfs/dbraw/zinc/30/88/17/169308817.db2.gz VGWJBPBZYIWWQH-UHFFFAOYSA-N 0 0 159.192 1.455 10 0 ADAERN Nc1nccc(OC2CC2)c1C=O 95738271 169308819 /nfs/dbraw/zinc/30/88/19/169308819.db2.gz OLHZXPAPHXUCDV-UHFFFAOYSA-N 0 0 178.191 1.018 10 0 ADAERN Nc1nccc(/C=C/c2ccccn2)n1 58494516 169308841 /nfs/dbraw/zinc/30/88/41/169308841.db2.gz YMGNNTVWSYKAPY-SNAWJCMRSA-N 0 0 198.229 1.624 10 0 ADAERN Nc1nccc2nc3ccccc3n12 72416731 169308844 /nfs/dbraw/zinc/30/88/44/169308844.db2.gz CXBMZGGHNQCYGI-UHFFFAOYSA-N 0 0 184.202 1.465 10 0 ADAERN Nc1nccc(OC2CC2)c1Cl 95737609 169308864 /nfs/dbraw/zinc/30/88/64/169308864.db2.gz XTOCLAROJINWID-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1nccc2ccc(C=O)cc12 145010562 169308877 /nfs/dbraw/zinc/30/88/77/169308877.db2.gz VOEIBIGIMNRHCF-UHFFFAOYSA-N 0 0 172.187 1.630 10 0 ADAERN Nc1nccc(Cl)c1F 95768701 169308887 /nfs/dbraw/zinc/30/88/87/169308887.db2.gz DMXUVBURYLPMDM-UHFFFAOYSA-N 0 0 146.552 1.456 10 0 ADAERN Nc1nccc2cccc(CO)c12 95616433 169308974 /nfs/dbraw/zinc/30/89/74/169308974.db2.gz HAMCZLDYFIVPAF-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN Nc1nccc2cc(F)ccc12 36258063 169309051 /nfs/dbraw/zinc/30/90/51/169309051.db2.gz ZFWXEHFBHZPGNG-UHFFFAOYSA-N 0 0 162.167 1.956 10 0 ADAERN Nc1ncc2[nH]cc(Cl)c2n1 299889966 169309106 /nfs/dbraw/zinc/30/91/06/169309106.db2.gz RQFLWVLXXCFHTN-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN Nc1[nH]ccc2nc(Cl)nc1-2 34582836 169309212 /nfs/dbraw/zinc/30/92/12/169309212.db2.gz GZTJCGPNJPLPLC-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN Nc1ncc(OC2CC2)cc1F 95737588 169309249 /nfs/dbraw/zinc/30/92/49/169309249.db2.gz OYYFUADIMMTLPM-UHFFFAOYSA-N 0 0 168.171 1.344 10 0 ADAERN Nc1ncc(F)c2cc[nH]c12 34853394 169309264 /nfs/dbraw/zinc/30/92/64/169309264.db2.gz UFXIGJLWVYTGAC-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Nc1ncc(N2CCCC2)s1 72192589 169309301 /nfs/dbraw/zinc/30/93/01/169309301.db2.gz ZSKBNLJSKBPHKX-UHFFFAOYSA-N 0 0 169.253 1.326 10 0 ADAERN Nc1ncc(F)cc1-c1ccncc1 47212345 169309365 /nfs/dbraw/zinc/30/93/65/169309365.db2.gz SBKVTXBWHYMNFY-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1nccc(Cl)c1OC1CC1 95737422 169309380 /nfs/dbraw/zinc/30/93/80/169309380.db2.gz HTQZGCQQNHZLJQ-UHFFFAOYSA-N 0 0 184.626 1.858 10 0 ADAERN Nc1ncccc1C(=O)CCCCO 21985756 169309392 /nfs/dbraw/zinc/30/93/92/169309392.db2.gz XAWFAGBWMKXGLL-UHFFFAOYSA-N 0 0 194.234 1.009 10 0 ADAERN Nc1ncccc1COCC1CC1 52755219 169309396 /nfs/dbraw/zinc/30/93/96/169309396.db2.gz TTWGYBMHARKJAZ-UHFFFAOYSA-N 0 0 178.235 1.590 10 0 ADAERN Nc1ncc2cc(Cl)[nH]c2n1 95931389 169309409 /nfs/dbraw/zinc/30/94/09/169309409.db2.gz CLJJXIOECKCZSZ-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN Nc1ncc2[nH]ccc2c1F 89212945 169309423 /nfs/dbraw/zinc/30/94/23/169309423.db2.gz ROAHHCLYRRGDLW-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Nc1ncncc1C1=CCCC1 75544972 169309528 /nfs/dbraw/zinc/30/95/28/169309528.db2.gz LMSJWKDVEQVTLG-UHFFFAOYSA-N 0 0 161.208 1.626 10 0 ADAERN Nc1ncnn1-c1cccc(Cl)c1 54404529 169309580 /nfs/dbraw/zinc/30/95/80/169309580.db2.gz GNIDMIQHNXZSHR-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ncncc1-c1cccc(F)c1 26465831 169309621 /nfs/dbraw/zinc/30/96/21/169309621.db2.gz HRSAPZHPMMMFKD-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncccc1OC[C@@H]1CCCO1 26516539 169309632 /nfs/dbraw/zinc/30/96/32/169309632.db2.gz ZXTFTEUHTYSMJW-QMMMGPOBSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ncccc1OC[C@H]1CCCO1 26516541 169309635 /nfs/dbraw/zinc/30/96/35/169309635.db2.gz ZXTFTEUHTYSMJW-MRVPVSSYSA-N 0 0 194.234 1.222 10 0 ADAERN Nc1ncnc2c1sc1nc[nH]c12 27552055 169309650 /nfs/dbraw/zinc/30/96/50/169309650.db2.gz JKUFKKPFBASYMG-UHFFFAOYSA-N 0 0 191.219 1.150 10 0 ADAERN Nc1ncccc1OCCCCCO 51019542 169309705 /nfs/dbraw/zinc/30/97/05/169309705.db2.gz SEJLIIGWZXRIEZ-UHFFFAOYSA-N 0 0 196.250 1.205 10 0 ADAERN Nc1ncccc1OC[C@@H]1CCOC1 41045919 169309791 /nfs/dbraw/zinc/30/97/91/169309791.db2.gz OLDQINCTIYPULZ-MRVPVSSYSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ncnc2occ(Cl)c12 39698233 169309801 /nfs/dbraw/zinc/30/98/01/169309801.db2.gz UWALQCCNQZORCN-UHFFFAOYSA-N 0 0 169.571 1.458 10 0 ADAERN Nc1ncccc1N=O 39050839 169309835 /nfs/dbraw/zinc/30/98/35/169309835.db2.gz PTDALWWXTFQEKL-UHFFFAOYSA-N 0 0 123.115 1.062 10 0 ADAERN Nc1nccnc1C(=O)c1ccccc1 20272867 169309842 /nfs/dbraw/zinc/30/98/42/169309842.db2.gz YYZWDPNDUBNFAG-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN Nc1ncccc1OC1CC1 95726651 169309846 /nfs/dbraw/zinc/30/98/46/169309846.db2.gz WZWZAVPNXQSNQK-UHFFFAOYSA-N 0 0 150.181 1.205 10 0 ADAERN Nc1ncnc2oc3c(c12)CCCC3 82390947 169309925 /nfs/dbraw/zinc/30/99/25/169309925.db2.gz SWPDSMGQXVPKRS-UHFFFAOYSA-N 0 0 189.218 1.684 10 0 ADAERN Nc1ncnc2nc3c(cc12)CCC3 82392306 169309940 /nfs/dbraw/zinc/30/99/40/169309940.db2.gz CVMPDGRWBMVALI-UHFFFAOYSA-N 0 0 186.218 1.096 10 0 ADAERN Nc1ncncc1Nc1ccccc1 75577196 169309941 /nfs/dbraw/zinc/30/99/41/169309941.db2.gz GGDAWSDCNBTHTK-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN Nc1ncnc2c1[nH]c1ccccc12 169321613 169309988 /nfs/dbraw/zinc/30/99/88/169309988.db2.gz SDECALZHPDNOHC-UHFFFAOYSA-N 0 0 184.202 1.693 10 0 ADAERN Nc1ncncc1-c1ccccc1F 26465871 169310031 /nfs/dbraw/zinc/31/00/31/169310031.db2.gz ZAUJTMJTRGHZNA-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncnc2c(Cl)c[nH]c12 299889374 169310034 /nfs/dbraw/zinc/31/00/34/169310034.db2.gz IJTNJKQGOBKJTC-UHFFFAOYSA-N 0 0 168.587 1.194 10 0 ADAERN Nc1ncnc2c1oc1cccnc12 103244369 169310082 /nfs/dbraw/zinc/31/00/82/169310082.db2.gz ACPUEMDAPYRCHV-UHFFFAOYSA-N 0 0 186.174 1.353 10 0 ADAERN Nc1ncn(CC2CCCC2)n1 42375037 169310224 /nfs/dbraw/zinc/31/02/24/169310224.db2.gz MZPNBCPMIPBZKK-UHFFFAOYSA-N 0 0 166.228 1.051 10 0 ADAERN Nc1ncncc1-c1ccsc1 75567559 169310225 /nfs/dbraw/zinc/31/02/25/169310225.db2.gz GWNGUNCNKIOMGX-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ncnc2ccc3[nH]cnc3c12 95922885 169310240 /nfs/dbraw/zinc/31/02/40/169310240.db2.gz WUOUXQVFDCMPNO-UHFFFAOYSA-N 0 0 185.190 1.088 10 0 ADAERN Nc1ncnc2c1CCCCC2 71002711 169310245 /nfs/dbraw/zinc/31/02/45/169310245.db2.gz HMACXTAZYUWUHK-UHFFFAOYSA-N 0 0 163.224 1.328 10 0 ADAERN Nc1ncnn1-c1ccccc1Cl 54404545 169310260 /nfs/dbraw/zinc/31/02/60/169310260.db2.gz KJCHYTLXVUANBC-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1ncnc2c1ccc1[nH]cnc12 95922872 169310306 /nfs/dbraw/zinc/31/03/06/169310306.db2.gz HOMMOKWAWYAMKN-UHFFFAOYSA-N 0 0 185.190 1.088 10 0 ADAERN Nc1ncnc2cc3nc[nH]c3cc12 95922779 169310314 /nfs/dbraw/zinc/31/03/14/169310314.db2.gz SBXGLRVKJCXOHQ-UHFFFAOYSA-N 0 0 185.190 1.088 10 0 ADAERN Nc1ncncc1-c1ccc(O)cc1 26466017 169310328 /nfs/dbraw/zinc/31/03/28/169310328.db2.gz CQOXLYHQYUAJEQ-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN Nc1ncccc1OCC(F)F 37755391 169310346 /nfs/dbraw/zinc/31/03/46/169310346.db2.gz VNFZFHQLJXAEQP-UHFFFAOYSA-N 0 0 174.150 1.308 10 0 ADAERN Nc1ncnc2c1Cc1ccccc1O2 49853531 169310350 /nfs/dbraw/zinc/31/03/50/169310350.db2.gz YZCIJPFCAJNSTP-UHFFFAOYSA-N 0 0 199.213 1.755 10 0 ADAERN Nc1ncccc1OC[C@H]1CCOC1 41045920 169310353 /nfs/dbraw/zinc/31/03/53/169310353.db2.gz OLDQINCTIYPULZ-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN Nc1ncccc1OCC1CC1 36765134 169310383 /nfs/dbraw/zinc/31/03/83/169310383.db2.gz SQHWSZVQROYRQT-UHFFFAOYSA-N 0 0 164.208 1.453 10 0 ADAERN Nc1ncnc2c1ncn2C1CCC1 5941315 169310398 /nfs/dbraw/zinc/31/03/98/169310398.db2.gz JGFAEEKLMAWINF-UHFFFAOYSA-N 0 0 189.222 1.134 10 0 in-vivo ADAERN Nc1ncnc2ccc(C=O)cc12 90669298 169310460 /nfs/dbraw/zinc/31/04/60/169310460.db2.gz FMMPPXMXTZFWNB-UHFFFAOYSA-N 0 0 173.175 1.025 10 0 ADAERN Nc1nnc(/C=C/c2cccs2)o1 28531678 169310554 /nfs/dbraw/zinc/31/05/54/169310554.db2.gz SPISAOOEXSZWRT-ONEGZZNKSA-N 0 0 193.231 1.884 10 0 ADAERN Nc1nncc2cscc12 75539153 169310608 /nfs/dbraw/zinc/31/06/08/169310608.db2.gz BLEQMLSVXANZBT-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1nncc2ccsc12 75539150 169310621 /nfs/dbraw/zinc/31/06/21/169310621.db2.gz ZYECVHNCKVTVSA-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1nnc(-c2c(F)cccc2F)o1 19386223 169310675 /nfs/dbraw/zinc/31/06/75/169310675.db2.gz BRYBYXACRUBTSG-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1nnc(C[C@H]2C[C@@H]3CC[C@H]2C3)o1 36994006 169310693 /nfs/dbraw/zinc/31/06/93/169310693.db2.gz WQABFGNXZZJCEF-GJMOJQLCSA-N 0 0 193.250 1.631 10 0 ADAERN Nc1nnc(Nc2ccccc2)s1 75580840 169310754 /nfs/dbraw/zinc/31/07/54/169310754.db2.gz GSRKEYPBUVRTCM-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN Nc1nnc(/C=C\c2ccco2)s1 34882866 169310755 /nfs/dbraw/zinc/31/07/55/169310755.db2.gz VQXCMIQLBKLRAB-ARJAWSKDSA-N 0 0 193.231 1.884 10 0 ADAERN Nc1nnc(NC2CCCC2)s1 33413702 169310767 /nfs/dbraw/zinc/31/07/67/169310767.db2.gz FGCINSNMIOPLLZ-UHFFFAOYSA-N 0 0 184.268 1.475 10 0 ADAERN Nc1nnc(-c2ccccc2N)s1 82530582 169310789 /nfs/dbraw/zinc/31/07/89/169310789.db2.gz XYQNYPDCOUWBFV-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1ncnn1C1CCCCCC1 54404584 169310813 /nfs/dbraw/zinc/31/08/13/169310813.db2.gz JARJVKBMPWGKLV-UHFFFAOYSA-N 0 0 180.255 1.756 10 0 ADAERN Nc1nnc2sc3c(n12)CCCC3 82530810 169310821 /nfs/dbraw/zinc/31/08/21/169310821.db2.gz GBMVEIAQCYRLTQ-UHFFFAOYSA-N 0 0 194.263 1.252 10 0 ADAERN Nc1nnc(C[C@@H]2C[C@H]3CC[C@@H]2C3)o1 19282611 169310832 /nfs/dbraw/zinc/31/08/32/169310832.db2.gz WQABFGNXZZJCEF-RNJXMRFFSA-N 0 0 193.250 1.631 10 0 ADAERN Nc1nnc(CCC(F)(F)F)o1 49478558 169310863 /nfs/dbraw/zinc/31/08/63/169310863.db2.gz YQBFNRUXOWXAJG-UHFFFAOYSA-N 0 0 181.117 1.147 10 0 ADAERN Nc1nnc(Cl)c2cccnc12 19854115 169310873 /nfs/dbraw/zinc/31/08/73/169310873.db2.gz GJXLABHIGBBJKD-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN Nc1nncc(-c2ccsc2)n1 50339870 169310895 /nfs/dbraw/zinc/31/08/95/169310895.db2.gz SHNGJVZZDAUFMZ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1nnc(Cc2ccncc2)s1 36870637 169310914 /nfs/dbraw/zinc/31/09/14/169310914.db2.gz YFBQMUZQJBTAEN-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN Nc1nnc2oc3ccccc3n12 75843737 169310935 /nfs/dbraw/zinc/31/09/35/169310935.db2.gz RCVFTVBBSGAVMX-UHFFFAOYSA-N 0 0 174.163 1.058 10 0 ADAERN Nc1nnc(-c2cc(F)ccc2F)o1 19507050 169310966 /nfs/dbraw/zinc/31/09/66/169310966.db2.gz YKOKTZOCLVDARK-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1ncsc1-c1ccncc1 82529437 169310975 /nfs/dbraw/zinc/31/09/75/169310975.db2.gz YVPPHDSLJCHQJT-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1nnc([C@@H]2CCCOC2)s1 62238066 169310988 /nfs/dbraw/zinc/31/09/88/169310988.db2.gz WRBRUNMRAOEYOT-RXMQYKEDSA-N 0 0 185.252 1.014 10 0 ADAERN Nc1ncsc1-c1ccco1 82522703 169311007 /nfs/dbraw/zinc/31/10/07/169311007.db2.gz NZEWMLIZIYJAOG-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1nnc2ccc(Cl)cc2n1 39207311 169311032 /nfs/dbraw/zinc/31/10/32/169311032.db2.gz QKNJSKWUNZWRLZ-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN Nc1nnc(Cc2ccccn2)s1 83825550 169311033 /nfs/dbraw/zinc/31/10/33/169311033.db2.gz LHQSUBRAERIAOM-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN Nc1nn2c(C3CCC3)nnc2s1 82320026 169311051 /nfs/dbraw/zinc/31/10/51/169311051.db2.gz GOFHODZOWMFMHQ-UHFFFAOYSA-N 0 0 195.251 1.036 10 0 ADAERN Nc1nnc(CCc2ccco2)s1 36870638 169311128 /nfs/dbraw/zinc/31/11/28/169311128.db2.gz YKRMPYGJHTZVCC-UHFFFAOYSA-N 0 0 195.247 1.499 10 0 ADAERN Nc1ncsc1-c1cccnc1 82529435 169311146 /nfs/dbraw/zinc/31/11/46/169311146.db2.gz AONVQHIBPUCDQX-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1nnc(CCc2cccs2)o1 28531697 169311151 /nfs/dbraw/zinc/31/11/51/169311151.db2.gz LSISHNUTZBSNHL-UHFFFAOYSA-N 0 0 195.247 1.499 10 0 ADAERN Nc1ncoc1-c1ccccc1 39135669 169311155 /nfs/dbraw/zinc/31/11/55/169311155.db2.gz CAHOGPPKWDJLNR-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1nnc(-c2ccoc2)s1 8727036 169311160 /nfs/dbraw/zinc/31/11/60/169311160.db2.gz GOQAPWJPXBXWMT-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1nnc([C@@H]2CCCCO2)s1 50964111 169311184 /nfs/dbraw/zinc/31/11/84/169311184.db2.gz VQNNABFORVKTGR-YFKPBYRVSA-N 0 0 185.252 1.362 10 0 ADAERN Nc1nnc(-c2cscn2)s1 62357730 169311205 /nfs/dbraw/zinc/31/12/05/169311205.db2.gz PZUKDMCLJCLACW-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Nc1nncn1C1CCCCC1 54526518 169311207 /nfs/dbraw/zinc/31/12/07/169311207.db2.gz VMGQBUGVDPAMPO-UHFFFAOYSA-N 0 0 166.228 1.366 10 0 ADAERN Nc1nnc([C@H]2CCCOC2)s1 62238064 169311208 /nfs/dbraw/zinc/31/12/08/169311208.db2.gz WRBRUNMRAOEYOT-YFKPBYRVSA-N 0 0 185.252 1.014 10 0 ADAERN Nc1nnccc1-c1ccccc1 59581324 169311240 /nfs/dbraw/zinc/31/12/40/169311240.db2.gz YWBHNUMTLZPNDY-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN Nc1nnc(CCc2ccco2)o1 20252038 169311260 /nfs/dbraw/zinc/31/12/60/169311260.db2.gz MLSVKAFHOFIJDI-UHFFFAOYSA-N 0 0 179.179 1.030 10 0 ADAERN Nc1nnc(SC(F)F)s1 37037152 169311282 /nfs/dbraw/zinc/31/12/82/169311282.db2.gz XELGRBLOKVEOMQ-UHFFFAOYSA-N 0 0 183.208 1.435 10 0 ADAERN Nc1ncsc1-c1ccccn1 82529434 169311324 /nfs/dbraw/zinc/31/13/24/169311324.db2.gz DSKAPWIZVIMVTK-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ncnnc1-c1ccccc1 1417649 169311338 /nfs/dbraw/zinc/31/13/38/169311338.db2.gz QZCZONHMEWOBGO-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1nnc(-c2cncs2)s1 82688917 169311339 /nfs/dbraw/zinc/31/13/39/169311339.db2.gz AKVBBVSZQVCUTA-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Nc1nnc(Cl)c2ncccc12 33747906 169311359 /nfs/dbraw/zinc/31/13/59/169311359.db2.gz PKZKNMHNOTTXMH-UHFFFAOYSA-N 0 0 180.598 1.260 10 0 ADAERN Nc1nnc([C@H]2C[C@H]3CC[C@@H]2C3)o1 42174866 169311372 /nfs/dbraw/zinc/31/13/72/169311372.db2.gz DGUUXOASTRECFK-XVMARJQXSA-N 0 0 179.223 1.555 10 0 ADAERN Nc1nnc([C@H]2CCCCO2)s1 50964113 169311381 /nfs/dbraw/zinc/31/13/81/169311381.db2.gz VQNNABFORVKTGR-RXMQYKEDSA-N 0 0 185.252 1.362 10 0 ADAERN Nc1nnc(C[C@H]2C[C@H]3CC[C@@H]2C3)o1 19282613 169311390 /nfs/dbraw/zinc/31/13/90/169311390.db2.gz WQABFGNXZZJCEF-XLPZGREQSA-N 0 0 193.250 1.631 10 0 ADAERN Nc1nn2c(c1Cl)CCCC2 197233713 169311414 /nfs/dbraw/zinc/31/14/14/169311414.db2.gz WIQXDVAOFYSVTR-UHFFFAOYSA-N 0 0 171.631 1.455 10 0 ADAERN Nc1nncc(-c2cccs2)n1 36722142 169311415 /nfs/dbraw/zinc/31/14/15/169311415.db2.gz BCEKULXKIMCEKB-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1nncc2sccc12 75539149 169311419 /nfs/dbraw/zinc/31/14/19/169311419.db2.gz SDZSYMDSAMUDHX-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN Nc1nnc(-c2cccc(F)c2F)o1 54189492 169311425 /nfs/dbraw/zinc/31/14/25/169311425.db2.gz WKKUTBYKCMRFIV-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1nsc2ccsc12 82406236 169311500 /nfs/dbraw/zinc/31/15/00/169311500.db2.gz LWGRWCAADKEMMA-UHFFFAOYSA-N 0 0 156.235 1.940 10 0 ADAERN Nc1oncc1-c1ccco1 75443210 169311504 /nfs/dbraw/zinc/31/15/04/169311504.db2.gz BZQHDWOGBQJMNR-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN Nc1noc(N)c1Cc1ccccc1 36139266 169311512 /nfs/dbraw/zinc/31/15/12/169311512.db2.gz ZMWLBLMHRCJADC-UHFFFAOYSA-N 0 0 189.218 1.430 10 0 ADAERN Nc1noc2ccc(O)cc12 299889747 169311538 /nfs/dbraw/zinc/31/15/38/169311538.db2.gz OCMXCHOQRGGSBY-UHFFFAOYSA-N 0 0 150.137 1.116 10 0 ADAERN Nc1oncc1-c1ccncc1 75443205 169311542 /nfs/dbraw/zinc/31/15/42/169311542.db2.gz JCXMFESJNCEQDM-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1occc1-c1ccccn1 106517829 169311559 /nfs/dbraw/zinc/31/15/59/169311559.db2.gz NZNIAZAGTGYZMH-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1sc2c(c1N)CCCC2 39123404 169311598 /nfs/dbraw/zinc/31/15/98/169311598.db2.gz IXMPJWBEBDXXCO-UHFFFAOYSA-N 0 0 168.265 1.791 10 0 ADAERN Nc1nonc1-c1ccc(F)c(F)c1 49811680 169311602 /nfs/dbraw/zinc/31/16/02/169311602.db2.gz BCQRHZUQLYOCHY-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1nsnc1-c1cccs1 38292852 169311640 /nfs/dbraw/zinc/31/16/40/169311640.db2.gz ATUBFDZCXOULDS-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN Nc1nonc1Cc1ccc(F)cc1 75412775 169311673 /nfs/dbraw/zinc/31/16/73/169311673.db2.gz OQWJGVWXJOBGSO-UHFFFAOYSA-N 0 0 193.181 1.382 10 0 ADAERN Nc1oncc1C(=O)OC1CCCC1 75422839 169311674 /nfs/dbraw/zinc/31/16/74/169311674.db2.gz CZLMEUKKKCULQA-UHFFFAOYSA-N 0 0 196.206 1.356 10 0 ADAERN Nc1nonc1Cc1ccccc1 75412770 169311676 /nfs/dbraw/zinc/31/16/76/169311676.db2.gz QNVKAXKKPOAIMJ-UHFFFAOYSA-N 0 0 175.191 1.243 10 0 ADAERN Nc1noc2nc3ccccc3cc12 20270853 169311691 /nfs/dbraw/zinc/31/16/91/169311691.db2.gz WTXNZXKXRNMDDT-UHFFFAOYSA-N 0 0 185.186 1.958 10 0 ADAERN Nc1onc(-c2ccccc2)c1N 82399163 169311720 /nfs/dbraw/zinc/31/17/20/169311720.db2.gz OZGWKGLRKYJTKK-UHFFFAOYSA-N 0 0 175.191 1.506 10 0 ADAERN Nc1nonc1Cc1ccccc1F 75412784 169311727 /nfs/dbraw/zinc/31/17/27/169311727.db2.gz BILBKWKHCTUPGL-UHFFFAOYSA-N 0 0 193.181 1.382 10 0 ADAERN Nc1noc2c1CSC2 82409690 169311734 /nfs/dbraw/zinc/31/17/34/169311734.db2.gz JNPJZHXZLBLNAX-UHFFFAOYSA-N 0 0 142.183 1.004 10 0 ADAERN Nc1oncc1Cc1ccco1 19785767 169311737 /nfs/dbraw/zinc/31/17/37/169311737.db2.gz POXSOQBVOJYUAP-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Nc1noc(CCc2ccccc2)n1 82539002 169311739 /nfs/dbraw/zinc/31/17/39/169311739.db2.gz ORSWMGXLUAVRQK-UHFFFAOYSA-N 0 0 189.218 1.437 10 0 ADAERN Nc1oncc1-c1ccc[nH]1 77260571 169311741 /nfs/dbraw/zinc/31/17/41/169311741.db2.gz HHDFOXLYZDTTDD-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Nc1nsc(-c2ccccc2F)n1 36294231 169311749 /nfs/dbraw/zinc/31/17/49/169311749.db2.gz DEALXXKKUYTUEA-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Nc1noc2c(F)cc(F)cc12 299889383 169311752 /nfs/dbraw/zinc/31/17/52/169311752.db2.gz IMXJMUNGNAZPRH-UHFFFAOYSA-N 0 0 170.118 1.688 10 0 ADAERN Nc1nocc1Cc1ccco1 19785797 169311762 /nfs/dbraw/zinc/31/17/62/169311762.db2.gz NGBHXQVAWJPWEV-UHFFFAOYSA-N 0 0 164.164 1.441 10 0 ADAERN Nc1nsc(C2CCCC2)n1 70839889 169311763 /nfs/dbraw/zinc/31/17/63/169311763.db2.gz AEMDLORZDITGEY-UHFFFAOYSA-N 0 0 169.253 1.778 10 0 ADAERN Nc1nocc1Cc1ccccc1F 19785803 169311783 /nfs/dbraw/zinc/31/17/83/169311783.db2.gz ZLYYMKCTWFSZOA-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1nsc2c1CCCC2 75541793 169311821 /nfs/dbraw/zinc/31/18/21/169311821.db2.gz OTXDEPIXESWJHZ-UHFFFAOYSA-N 0 0 154.238 1.604 10 0 ADAERN Nc1occc1-c1cccnc1 106517832 169311860 /nfs/dbraw/zinc/31/18/60/169311860.db2.gz RNYQVDUCOGBTGH-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1nsc(-c2cccnc2)n1 70838763 169311882 /nfs/dbraw/zinc/31/18/82/169311882.db2.gz ZZRUVPMKNHGXSK-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1onc2nc3ccccc3cc12 20270911 169311905 /nfs/dbraw/zinc/31/19/05/169311905.db2.gz HZOZDQGPDNEZCC-UHFFFAOYSA-N 0 0 185.186 1.958 10 0 ADAERN Nc1oncc1-c1cc[nH]c1 82522375 169311921 /nfs/dbraw/zinc/31/19/21/169311921.db2.gz KVGNFZVAVZPLNM-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN Nc1occc1-c1ccncc1 106517834 169311927 /nfs/dbraw/zinc/31/19/27/169311927.db2.gz SREJVZJMCGKLKW-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1nocc1Cc1cccs1 19785798 169311955 /nfs/dbraw/zinc/31/19/55/169311955.db2.gz ZWSTWJCXYRYVBP-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Nc1nsnc1-c1ccccc1 39214629 169311976 /nfs/dbraw/zinc/31/19/76/169311976.db2.gz QGEINUJSHAXTRZ-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1nonc1-c1cccc(F)c1 52901228 169312005 /nfs/dbraw/zinc/31/20/05/169312005.db2.gz DBEASHXMUKTORQ-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Nc1nonc1N1CCCCCC1 82395258 169312010 /nfs/dbraw/zinc/31/20/10/169312010.db2.gz OTTFCTLXFLOSDJ-UHFFFAOYSA-N 0 0 182.227 1.032 10 0 ADAERN Nc1noc2c1CCSCC2 82400958 169312016 /nfs/dbraw/zinc/31/20/16/169312016.db2.gz NVSGXQPHZGQLGE-UHFFFAOYSA-N 0 0 170.237 1.089 10 0 ADAERN Nc1nsc(-c2ccccn2)n1 70838928 169312067 /nfs/dbraw/zinc/31/20/67/169312067.db2.gz BOQQUDFKYXJRGO-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1onc2c1CCC=CCC2 100279824 169312077 /nfs/dbraw/zinc/31/20/77/169312077.db2.gz VYOVLIPTRLLMFI-UHFFFAOYSA-N 0 0 164.208 1.692 10 0 ADAERN Nc1oncc1Cc1cccs1 19785768 169312147 /nfs/dbraw/zinc/31/21/47/169312147.db2.gz MCHJSWZLBGKCGW-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Nc1sc2ccccc2c(=O)c1O 200866024 169312211 /nfs/dbraw/zinc/31/22/11/169312211.db2.gz HJGXTRNLVSAFRA-UHFFFAOYSA-N 0 0 193.227 1.549 10 0 ADAERN Nc1oncc1-c1ccccn1 142777 169312222 /nfs/dbraw/zinc/31/22/22/169312222.db2.gz XFNQXILRIIWXOW-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN Nc1nsc2c1CCC2 75527834 169312243 /nfs/dbraw/zinc/31/22/43/169312243.db2.gz MUZGTYNHUBSHRD-UHFFFAOYSA-N 0 0 140.211 1.214 10 0 ADAERN Nc1oncc1Cc1ccccc1 19785769 169312247 /nfs/dbraw/zinc/31/22/47/169312247.db2.gz JDKWCJKCNZXATL-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1noc(N)c1-c1ccccc1 75565222 169312253 /nfs/dbraw/zinc/31/22/53/169312253.db2.gz RFWSJZIPYKWHCX-UHFFFAOYSA-N 0 0 175.191 1.506 10 0 ADAERN Nc1nonc1-c1cc(F)ccc1F 49811679 169312275 /nfs/dbraw/zinc/31/22/75/169312275.db2.gz IUUOQQXZTFTZRM-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1nonc1-c1cc(F)cc(F)c1 52901229 169312296 /nfs/dbraw/zinc/31/22/96/169312296.db2.gz LUSLKFNLHRVRJA-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN Nc1noc(Nc2cccc(O)c2)n1 75580514 169312297 /nfs/dbraw/zinc/31/22/97/169312297.db2.gz SSVRQDXOICGDJF-UHFFFAOYSA-N 0 0 192.178 1.101 10 0 ADAERN Nc1occc1-c1nccs1 106517789 169312313 /nfs/dbraw/zinc/31/23/13/169312313.db2.gz UNPPEHIUEVKHAX-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1nonc1Cc1cccc(F)c1 75412980 169312315 /nfs/dbraw/zinc/31/23/15/169312315.db2.gz NAWDWBMBPYRGIO-UHFFFAOYSA-N 0 0 193.181 1.382 10 0 ADAERN Nc1oncc1Cc1ccc(F)cc1 19785774 169312337 /nfs/dbraw/zinc/31/23/37/169312337.db2.gz PBAXTHHMZPYZAX-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1nsc(-c2ccco2)n1 70839470 169312363 /nfs/dbraw/zinc/31/23/63/169312363.db2.gz RKDFABCFWPJSPX-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1nocc1Cc1ccccc1 19785799 169312378 /nfs/dbraw/zinc/31/23/78/169312378.db2.gz NHHCZBQQPKLPHE-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1noc(Nc2ccccc2)n1 39255609 169312438 /nfs/dbraw/zinc/31/24/38/169312438.db2.gz MUPBGCCXNAEARW-UHFFFAOYSA-N 0 0 176.179 1.395 10 0 ADAERN Nc1oncc1Cc1ccccc1F 19785773 169312483 /nfs/dbraw/zinc/31/24/83/169312483.db2.gz LWNDRZDJNVLZJK-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1nocc1Cc1ccc(F)cc1 19785804 169312493 /nfs/dbraw/zinc/31/24/93/169312493.db2.gz WRTGWZQWGWBGHF-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Nc1occc1C(=O)c1ccncc1 76191457 169312519 /nfs/dbraw/zinc/31/25/19/169312519.db2.gz PBQLOHONCDUVSR-UHFFFAOYSA-N 0 0 188.186 1.488 10 0 ADAERN Nc1ocnc1Cc1ccccc1 95077257 169312546 /nfs/dbraw/zinc/31/25/46/169312546.db2.gz KQQZQEQQVFHFBK-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1snnc1COC1CCC1 50833282 169312593 /nfs/dbraw/zinc/31/25/93/169312593.db2.gz QYDWXSOAVOGYSX-UHFFFAOYSA-N 0 0 185.252 1.189 10 0 ADAERN Nn1cnc2ccc(F)c(F)c21 75935083 169312597 /nfs/dbraw/zinc/31/25/97/169312597.db2.gz RMPBOZDQRVIRPS-UHFFFAOYSA-N 0 0 169.134 1.028 10 0 ADAERN Nc1scc2c1OCCO2 107104917 169312602 /nfs/dbraw/zinc/31/26/02/169312602.db2.gz AZEVKZAIEWLZIR-UHFFFAOYSA-N 0 0 157.194 1.102 10 0 ADAERN Nc1snc2sccc12 334082 169312663 /nfs/dbraw/zinc/31/26/63/169312663.db2.gz GHBQMSMWICDQMH-UHFFFAOYSA-N 0 0 156.235 1.940 10 0 ADAERN Nc1scnc1-c1ccco1 82522702 169312712 /nfs/dbraw/zinc/31/27/12/169312712.db2.gz WXYJVFDNOFGGIG-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN Nc1scnc1-c1cccnc1 50307963 169312755 /nfs/dbraw/zinc/31/27/55/169312755.db2.gz DSCXSCUFAZOTLM-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nn1c(=S)[nH]c2ccccc21 33562079 169312783 /nfs/dbraw/zinc/31/27/83/169312783.db2.gz IGHNFJUEYIHKMQ-UHFFFAOYSA-N 0 0 165.221 1.413 10 0 ADAERN Nc1snnc1COC1CCCC1 50830314 169312822 /nfs/dbraw/zinc/31/28/22/169312822.db2.gz AWOZKDWZUKZIAF-UHFFFAOYSA-N 0 0 199.279 1.580 10 0 ADAERN Nn1ncc2c(Cl)cccc21 95709580 169312829 /nfs/dbraw/zinc/31/28/29/169312829.db2.gz XHXIAGXESVZJAC-UHFFFAOYSA-N 0 0 167.599 1.404 10 0 ADAERN Nc1scnc1C1CCOCC1 52177046 169312850 /nfs/dbraw/zinc/31/28/50/169312850.db2.gz MOOJZLQBVFNXFF-UHFFFAOYSA-N 0 0 184.264 1.619 10 0 ADAERN Nn1c(C2CCCC2)n[nH]c1=S 26516164 169312883 /nfs/dbraw/zinc/31/28/83/169312883.db2.gz DZBDCWKJNGVXIO-UHFFFAOYSA-N 0 0 184.268 1.312 10 0 ADAERN Nn1ccc2ccc(F)cc21 35323059 169312908 /nfs/dbraw/zinc/31/29/08/169312908.db2.gz SYNMFYKFEDHCJP-UHFFFAOYSA-N 0 0 150.156 1.494 10 0 ADAERN Nc1scc2c1OCO2 107107833 169312956 /nfs/dbraw/zinc/31/29/56/169312956.db2.gz AYWCNULHUVBPFW-UHFFFAOYSA-N 0 0 143.167 1.059 10 0 ADAERN Nn1ncc2cc(Cl)ccc21 59156294 169312991 /nfs/dbraw/zinc/31/29/91/169312991.db2.gz LNQQYTJQEHZEAB-UHFFFAOYSA-N 0 0 167.599 1.404 10 0 ADAERN Nc1snc2ccsc12 334080 169312993 /nfs/dbraw/zinc/31/29/93/169312993.db2.gz GNJKPPFXTGAXRZ-UHFFFAOYSA-N 0 0 156.235 1.940 10 0 ADAERN Nn1cnc2ccc(Cl)cc21 95922896 169313029 /nfs/dbraw/zinc/31/30/29/169313029.db2.gz GVTGVUJHCWBHFW-UHFFFAOYSA-N 0 0 167.599 1.404 10 0 ADAERN Nn1c2c([nH]c1=S)CCCC2 76095214 169313100 /nfs/dbraw/zinc/31/31/00/169313100.db2.gz AXNKXXLRGCZGCI-UHFFFAOYSA-N 0 0 169.253 1.138 10 0 ADAERN Nc1snnc1CN1CCCCC1 50792631 169313141 /nfs/dbraw/zinc/31/31/41/169313141.db2.gz LSGCLYNBAHHUEP-UHFFFAOYSA-N 0 0 198.295 1.106 10 0 ADAERN Nn1cc2cc(Cl)ccc2n1 95709574 169313200 /nfs/dbraw/zinc/31/32/00/169313200.db2.gz DRVKJUUBTBDTEP-UHFFFAOYSA-N 0 0 167.599 1.404 10 0 ADAERN Nn1c(CC2CCCC2)n[nH]c1=S 26516728 169313202 /nfs/dbraw/zinc/31/32/02/169313202.db2.gz NOLMAVDCTGGTGN-UHFFFAOYSA-N 0 0 198.295 1.387 10 0 ADAERN Nn1c(C2CC2)nc2c1CCCC2 76095401 169313221 /nfs/dbraw/zinc/31/32/21/169313221.db2.gz MFOVOHVJRUJUHJ-UHFFFAOYSA-N 0 0 177.251 1.353 10 0 ADAERN Nc1sccc1-c1ncno1 104836636 169313239 /nfs/dbraw/zinc/31/32/39/169313239.db2.gz RTLGIAUIZYVTLI-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1scnc1-c1ccncc1 82398283 169313258 /nfs/dbraw/zinc/31/32/58/169313258.db2.gz DSLJXIYXYVWJNI-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nn1c(C2CC2)nc2cccnc21 75974243 169313273 /nfs/dbraw/zinc/31/32/73/169313273.db2.gz LBXCQXXYWGGYLM-UHFFFAOYSA-N 0 0 174.207 1.023 10 0 ADAERN Nn1ccc2cc(F)ccc21 82408476 169313320 /nfs/dbraw/zinc/31/33/20/169313320.db2.gz DXSJZEIJXDNIFN-UHFFFAOYSA-N 0 0 150.156 1.494 10 0 ADAERN Nc1scc2c1C(=O)NCCC2 107094460 169313322 /nfs/dbraw/zinc/31/33/22/169313322.db2.gz YCVXJGROYCMORY-UHFFFAOYSA-N 0 0 182.248 1.006 10 0 ADAERN Nc1scnc1-c1cc[nH]c1 82522675 169313327 /nfs/dbraw/zinc/31/33/27/169313327.db2.gz MHMHVZRVXNDTSO-UHFFFAOYSA-N 0 0 165.221 1.720 10 0 ADAERN Nc1scnc1-c1ccccn1 82529433 169313338 /nfs/dbraw/zinc/31/33/38/169313338.db2.gz CGQHLNIGARFVHK-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1sccc1-c1nc[nH]n1 104502262 169313371 /nfs/dbraw/zinc/31/33/71/169313371.db2.gz QDNJELZWBOGIRX-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN Nn1cc2c(Cl)cccc2n1 95709576 169313457 /nfs/dbraw/zinc/31/34/57/169313457.db2.gz MVBDIZKPXXPJLJ-UHFFFAOYSA-N 0 0 167.599 1.404 10 0 ADAERN Nc1scc2c1CCCNC2=O 107094463 169313460 /nfs/dbraw/zinc/31/34/60/169313460.db2.gz IIIDIROJXAWEEE-UHFFFAOYSA-N 0 0 182.248 1.006 10 0 ADAERN Nn1c(C2CC2)nc2ccccc21 75974242 169313495 /nfs/dbraw/zinc/31/34/95/169313495.db2.gz PYUGJAWALKLGIJ-UHFFFAOYSA-N 0 0 173.219 1.628 10 0 ADAERN O/N=c1\ccn(O)c2ccccc12 5934678 169314967 /nfs/dbraw/zinc/31/49/67/169314967.db2.gz KCGKBOFRVKLKOO-CSKARUKUSA-N 0 0 176.175 1.169 10 0 ADAERN O=C(C1CC1)[C@@H]1CCCCO1 17766637 169315754 /nfs/dbraw/zinc/31/57/54/169315754.db2.gz QBXGWSPIZGTVLC-QMMMGPOBSA-N 0 0 154.209 1.535 10 0 ADAERN O=C(C1=CSCCO1)N1CCCC1 64551690 169315871 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197.278 1.629 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+][C@H](c2ccco2)C1 82386692 169348258 /nfs/dbraw/zinc/34/82/58/169348258.db2.gz CZSMUXIKOLRGFD-SFYZADRCSA-N 0 0 195.218 1.405 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]([NH+]2CCCCC2)C1 74239456 169348305 /nfs/dbraw/zinc/34/83/05/169348305.db2.gz UFQKRQOARFSYSF-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@H]1C1CCCC1 82384969 169348416 /nfs/dbraw/zinc/34/84/16/169348416.db2.gz WBYFRJQKOBMPLL-VHSXEESVSA-N 0 0 197.278 1.487 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@@H]1C1CCCC1 82384970 169348518 /nfs/dbraw/zinc/34/85/18/169348518.db2.gz WBYFRJQKOBMPLL-NXEZZACHSA-N 0 0 197.278 1.487 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]Cc2sccc21 76607869 169349116 /nfs/dbraw/zinc/34/91/16/169349116.db2.gz JBLTUYKBBXNRGH-ZCFIWIBFSA-N 0 0 183.232 1.020 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]2CCCCC[C@H]2[NH2+]1 39601528 169349550 /nfs/dbraw/zinc/34/95/50/169349550.db2.gz IXEADCPBHZIBFX-HLTSFMKQSA-N 0 0 183.251 1.382 10 0 ADAERN 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183.251 1.239 10 0 ADAERN O=C([O-])c1c(C2CC2)[nH]c2c1C[NH2+]C2 82388870 169355971 /nfs/dbraw/zinc/35/59/71/169355971.db2.gz GVXWJYQAHBGVRK-UHFFFAOYSA-N 0 0 192.218 1.194 10 0 ADAERN O=C([O-])c1cc2c(s1)C[NH2+]C2 22201722 169356444 /nfs/dbraw/zinc/35/64/44/169356444.db2.gz LGDPBUOYRIUSJT-UHFFFAOYSA-N 0 0 169.205 1.050 10 0 ADAERN O=C([O-])c1ccc(C[NH2+]C2CC2)o1 41626036 169357788 /nfs/dbraw/zinc/35/77/88/169357788.db2.gz ZUKQYFDBQUBWJR-UHFFFAOYSA-N 0 0 181.191 1.230 10 0 ADAERN O=C([O-])c1cccc([C@H]2CC[NH2+]C2)c1 82889385 169358590 /nfs/dbraw/zinc/35/85/90/169358590.db2.gz VDWNGJYDHIGUNR-JTQLQIEISA-N 0 0 191.230 1.462 10 0 ADAERN O=C([O-])c1cccc([C@@H]2CC[NH2+]C2)c1 82889384 169358837 /nfs/dbraw/zinc/35/88/37/169358837.db2.gz VDWNGJYDHIGUNR-SNVBAGLBSA-N 0 0 191.230 1.462 10 0 ADAERN O=C([O-])c1cnc2c(c1)NCCC2 82397941 169359158 /nfs/dbraw/zinc/35/91/58/169359158.db2.gz NTNIJIWQYLFWTN-UHFFFAOYSA-N 0 0 178.191 1.138 10 0 ADAERN O=C([O-])c1cc[nH+]c2c1CCCN2 95764008 169359184 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334464624 169361829 /nfs/dbraw/zinc/36/18/29/169361829.db2.gz BSPUXRBCCWMVAZ-MYJAWHEDSA-N 0 0 197.253 1.603 10 0 ADAERN O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC1 306408370 169361835 /nfs/dbraw/zinc/36/18/35/169361835.db2.gz HZBHPXBVGJORFO-MYJAWHEDSA-N 0 0 179.263 1.655 10 0 ADAERN O=C(OCc1ccccc1)C1=NC1 38350428 169361838 /nfs/dbraw/zinc/36/18/38/169361838.db2.gz QRZIWHYUHRFRDA-UHFFFAOYSA-N 0 0 175.187 1.184 10 0 ADAERN O=C([C@@H]1CCC[C@H](F)C1)N1CCC1 335049364 169361850 /nfs/dbraw/zinc/36/18/50/169361850.db2.gz XIEJGAXPNABBKF-BDAKNGLRSA-N 0 0 185.242 1.747 10 0 ADAERN O=C(OC[C@H](O)CF)c1ccccc1 2032348 169361856 /nfs/dbraw/zinc/36/18/56/169361856.db2.gz JGVDQMMPENFZTL-SECBINFHSA-N 0 0 198.193 1.174 10 0 ADAERN O=C([C@@H]1CC=CCC1)N1CCCO1 306267006 169361865 /nfs/dbraw/zinc/36/18/65/169361865.db2.gz HBPLZZJCUYNZNT-SECBINFHSA-N 0 0 181.235 1.507 10 0 ADAERN O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCN1 306869953 169361867 /nfs/dbraw/zinc/36/18/67/169361867.db2.gz UMGVPZHOCZRHCZ-MYJAWHEDSA-N 0 0 194.278 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191.230 1.189 10 0 ADAERN O=c1[nH]c2cccnc2n2cccc12 39115107 169416291 /nfs/dbraw/zinc/41/62/91/169416291.db2.gz QHZLMPDWYWUECY-UHFFFAOYSA-N 0 0 185.186 1.176 10 0 ADAERN O=c1[nH]c2cccc(F)c2n1C1CC1 75946277 169416378 /nfs/dbraw/zinc/41/63/78/169416378.db2.gz JDNFWTUOUBBHBZ-UHFFFAOYSA-N 0 0 192.193 1.804 10 0 ADAERN O=c1[nH]c2cc3c(cc2s1)OCO3 33884263 169416519 /nfs/dbraw/zinc/41/65/19/169416519.db2.gz KSHPCWFBCVSBBV-UHFFFAOYSA-N 0 0 195.199 1.318 10 0 ADAERN O=c1[nH]c2c(s1)CSCC2 42335401 169416676 /nfs/dbraw/zinc/41/66/76/169416676.db2.gz WUSWZSQDKPMZMD-UHFFFAOYSA-N 0 0 173.262 1.226 10 0 ADAERN O=c1[nH]c2cc(F)ccc2n1C1CC1 75946279 169416802 /nfs/dbraw/zinc/41/68/02/169416802.db2.gz WECUHWJYOYSSBN-UHFFFAOYSA-N 0 0 192.193 1.804 10 0 ADAERN O=c1[nH]cc(F)cc1-c1ccncc1 47213246 169417142 /nfs/dbraw/zinc/41/71/42/169417142.db2.gz WUPHNXDWVMYFNR-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1[nH]ccc2[nH]cc(Cl)c12 44713094 169417200 /nfs/dbraw/zinc/41/72/00/169417200.db2.gz SELKAZKPXSSGEZ-UHFFFAOYSA-N 0 0 168.583 1.510 10 0 ADAERN O=c1[nH]cncc1-c1cccs1 33824139 169417279 /nfs/dbraw/zinc/41/72/79/169417279.db2.gz WFDUTZFILXSXNT-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1[nH]cc(-c2ccncc2)s1 72204704 169417295 /nfs/dbraw/zinc/41/72/95/169417295.db2.gz BRFFOTWIAUFBEV-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1[nH]cc(C2CC2)s1 72191707 169417408 /nfs/dbraw/zinc/41/74/08/169417408.db2.gz RDUNOPVQVVWFPG-UHFFFAOYSA-N 0 0 141.195 1.314 10 0 ADAERN O=c1[nH]cc(-c2ccco2)s1 72191691 169417530 /nfs/dbraw/zinc/41/75/30/169417530.db2.gz HLLTWRUVPUAJON-UHFFFAOYSA-N 0 0 167.189 1.696 10 0 ADAERN O=c1[nH]cncc1-c1cccc(F)c1 96312724 169417580 /nfs/dbraw/zinc/41/75/80/169417580.db2.gz JFLBXCDEXYVDDG-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1[nH]cc(-c2cccnc2)s1 72204706 169417643 /nfs/dbraw/zinc/41/76/43/169417643.db2.gz LFAFGWZFJQNYBN-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1[nH]ccc2cc(F)cc(F)c12 71482383 169417840 /nfs/dbraw/zinc/41/78/40/169417840.db2.gz OSGQVADKXGVJML-UHFFFAOYSA-N 0 0 181.141 1.806 10 0 ADAERN O=c1[nH]ccc2cc(CO)ccc12 32914924 169417873 /nfs/dbraw/zinc/41/78/73/169417873.db2.gz FKFXUWDUOXXNQC-UHFFFAOYSA-N 0 0 175.187 1.020 10 0 ADAERN O=c1[nH]ccc2c(F)ccc(F)c12 71482384 169417927 /nfs/dbraw/zinc/41/79/27/169417927.db2.gz OSFQTHTZYOQMFF-UHFFFAOYSA-N 0 0 181.141 1.806 10 0 ADAERN O=c1[nH]ccn1Cc1ccccc1 162276 169417928 /nfs/dbraw/zinc/41/79/28/169417928.db2.gz MDHGKJCKJNPZKA-UHFFFAOYSA-N 0 0 174.203 1.225 10 0 ADAERN O=c1cc[nH]c2cc3c(cc12)OCO3 35731108 169418295 /nfs/dbraw/zinc/41/82/95/169418295.db2.gz GJEILVUIMNTTNZ-UHFFFAOYSA-N 0 0 189.170 1.257 10 0 ADAERN O=c1cc(CCO)[nH]c2ccccc12 84689015 169418507 /nfs/dbraw/zinc/41/85/07/169418507.db2.gz BZPNPIIRWNYVJG-UHFFFAOYSA-N 0 0 189.214 1.063 10 0 ADAERN O=c1cc[nH]c(-c2ccccn2)c1 44118531 169418673 /nfs/dbraw/zinc/41/86/73/169418673.db2.gz PIQHJUNSCZAHAS-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1cc(CO)c2ccccc2[nH]1 78366567 169419003 /nfs/dbraw/zinc/41/90/03/169419003.db2.gz PIAAVJUTJZIVLQ-UHFFFAOYSA-N 0 0 175.187 1.020 10 0 ADAERN O=c1cc(Nc2ccccc2)nc[nH]1 25970998 169419045 /nfs/dbraw/zinc/41/90/45/169419045.db2.gz YJJYVPCMVIQLPX-UHFFFAOYSA-N 0 0 187.202 1.514 10 0 ADAERN O=c1cc[nH]c(-c2cccnc2)c1 44118527 169419201 /nfs/dbraw/zinc/41/92/01/169419201.db2.gz MKPHHAQLRKTNEL-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1cc[nH]c(-c2ccc(O)cc2)c1 65355601 169419203 /nfs/dbraw/zinc/41/92/03/169419203.db2.gz HTSYVUOHJOZOAR-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=c1ccccn1-c1ccccn1 331237 169419470 /nfs/dbraw/zinc/41/94/70/169419470.db2.gz TTYWSMWHPYKDEW-UHFFFAOYSA-N 0 0 172.187 1.233 10 0 ADAERN O=c1ccc(-c2ccccc2)no1 135051 169419507 /nfs/dbraw/zinc/41/95/07/169419507.db2.gz VULXWLLRIBKYHZ-UHFFFAOYSA-N 0 0 173.171 1.702 10 0 ADAERN O=c1ccc(C(F)(F)F)co1 34079956 169419525 /nfs/dbraw/zinc/41/95/25/169419525.db2.gz FNNWLFGGYITHAI-UHFFFAOYSA-N 0 0 164.082 1.659 10 0 ADAERN O=c1ccc(-c2ccoc2)n[nH]1 87290861 169419539 /nfs/dbraw/zinc/41/95/39/169419539.db2.gz OYOIGOMIQQPXMM-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=c1ccc2cc(CO)ccc2o1 44198895 169419592 /nfs/dbraw/zinc/41/95/92/169419592.db2.gz BPTGMUVORRVIEP-UHFFFAOYSA-N 0 0 176.171 1.285 10 0 in-vivo ADAERN O=c1cccc(-c2ccncc2)[nH]1 39343994 169419629 /nfs/dbraw/zinc/41/96/29/169419629.db2.gz NBXBAWUGMXCSAQ-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1ccc(-c2ccc(F)nc2)c[nH]1 96312074 169419898 /nfs/dbraw/zinc/41/98/98/169419898.db2.gz AYGBYDPGYQXVKX-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1cccc(CCCCCO)o1 34744318 169420152 /nfs/dbraw/zinc/42/01/52/169420152.db2.gz MIGMOZQMTSKLRV-UHFFFAOYSA-N 0 0 182.219 1.345 10 0 ADAERN O=c1ccc2sccc2o1 32191452 169420158 /nfs/dbraw/zinc/42/01/58/169420158.db2.gz DTCKWTYGYOJMAT-UHFFFAOYSA-N 0 0 152.174 1.855 10 0 ADAERN O=c1ccc(-c2ccco2)c[nH]1 40546570 169420191 /nfs/dbraw/zinc/42/01/91/169420191.db2.gz OMDKFYJKSJHOMM-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN O=c1cccc2ccccn12 1604678 169420294 /nfs/dbraw/zinc/42/02/94/169420294.db2.gz ZUVKZCTUVRLOAQ-UHFFFAOYSA-N 0 0 145.161 1.300 10 0 ADAERN O=c1ccc(-c2cccnc2)c[nH]1 44062977 169420391 /nfs/dbraw/zinc/42/03/91/169420391.db2.gz MHPQKDWIECPKES-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1cccc(-c2ccccc2O)[nH]1 65337631 169420396 /nfs/dbraw/zinc/42/03/96/169420396.db2.gz OBSDMCKXHTWFDE-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=c1ccc(-c2cscn2)c[nH]1 44121097 169420398 /nfs/dbraw/zinc/42/03/98/169420398.db2.gz XPOQMMPQFMYZPG-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1ccsc2c1CCCC2 72230707 169420616 /nfs/dbraw/zinc/42/06/16/169420616.db2.gz QKYOCWUOJQCNQE-UHFFFAOYSA-N 0 0 166.245 1.987 10 0 ADAERN O=c1ccon1CC1CCC1 307611549 169420650 /nfs/dbraw/zinc/42/06/50/169420650.db2.gz GNIVFHAHHLGUNW-UHFFFAOYSA-N 0 0 153.181 1.241 10 0 ADAERN O=c1cncc(-c2ccc(F)cc2)[nH]1 44120080 169420727 /nfs/dbraw/zinc/42/07/27/169420727.db2.gz YKTZWCCDIOOBAR-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1ccsn1-c1cccnc1 40952060 169420866 /nfs/dbraw/zinc/42/08/66/169420866.db2.gz NWCCFPKSXBGSMQ-UHFFFAOYSA-N 0 0 178.216 1.294 10 0 ADAERN O=c1cnc(C2CCC2)c[nH]1 44117303 169420879 /nfs/dbraw/zinc/42/08/79/169420879.db2.gz YROVCLRFMKDBQG-UHFFFAOYSA-N 0 0 150.181 1.037 10 0 ADAERN O=c1cncc(-c2ccccc2)[nH]1 44120016 169420928 /nfs/dbraw/zinc/42/09/28/169420928.db2.gz PNSPIJRIKXAGSE-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1cncc(C2CCC2)[nH]1 44119942 169421221 /nfs/dbraw/zinc/42/12/21/169421221.db2.gz ZBAQQQNLNOWSOD-UHFFFAOYSA-N 0 0 150.181 1.037 10 0 ADAERN O=c1cncc(-c2cccc(F)c2)[nH]1 44120090 169421252 /nfs/dbraw/zinc/42/12/52/169421252.db2.gz GCWSJWPIZHIWDU-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1ccon1CCC(F)(F)F 306492755 169421341 /nfs/dbraw/zinc/42/13/41/169421341.db2.gz RBYXWRDDXFLFMI-UHFFFAOYSA-N 0 0 181.113 1.394 10 0 ADAERN O=c1ccon1CCC1CC1 306408448 169421372 /nfs/dbraw/zinc/42/13/72/169421372.db2.gz YGBOWYMTBUZALX-UHFFFAOYSA-N 0 0 153.181 1.241 10 0 ADAERN O=c1ccon1CC[C@H]1CCCO1 306464200 169421475 /nfs/dbraw/zinc/42/14/75/169421475.db2.gz JAGVAWZGUWMPIJ-MRVPVSSYSA-N 0 0 183.207 1.010 10 0 ADAERN OC/C=C/C1CCCC1 38995330 169421679 /nfs/dbraw/zinc/42/16/79/169421679.db2.gz FYOMDMAJOTWCGR-ZZXKWVIFSA-N 0 0 126.199 1.725 10 0 ADAERN OC/C=C/Oc1ccccc1 39089111 169421694 /nfs/dbraw/zinc/42/16/94/169421694.db2.gz VKXIDQVDUOXVQT-XBXARRHUSA-N 0 0 150.177 1.571 10 0 ADAERN O=C1N[C@@H](C2CC2)N2CCC[C@@H]12 39115827 169421949 /nfs/dbraw/zinc/42/19/49/169421949.db2.gz CRFQIOYRHOTNFB-JGVFFNPUSA-N 0 0 166.224 1.157 10 0 ADAERN O=C1N[C@H](O)[C@H](c2ccccc2)CO1 30731196 169421981 /nfs/dbraw/zinc/42/19/81/169421981.db2.gz XZZMJRBYVRSAOS-DTWKUNHWSA-N 0 0 193.202 1.033 10 0 metabolite,world ADAERN OC1(c2nccs2)CCCC1 75846614 169422454 /nfs/dbraw/zinc/42/24/54/169422454.db2.gz DCTSSXURHBYSNI-UHFFFAOYSA-N 0 0 169.249 1.905 10 0 ADAERN O=C1N[C@@H](O)[C@H](c2ccccc2)CO1 30731193 169422503 /nfs/dbraw/zinc/42/25/03/169422503.db2.gz XZZMJRBYVRSAOS-IUCAKERBSA-N 0 0 193.202 1.033 10 0 metabolite,world ADAERN O=C1N[C@H](C2CC2)N2CCC[C@@H]12 39115824 169422662 /nfs/dbraw/zinc/42/26/62/169422662.db2.gz CRFQIOYRHOTNFB-YUMQZZPRSA-N 0 0 166.224 1.157 10 0 ADAERN OC1CCN(c2cccs2)CC1 76608213 169422810 /nfs/dbraw/zinc/42/28/10/169422810.db2.gz GEMINQKYYOEDSB-UHFFFAOYSA-N 0 0 183.276 1.709 10 0 ADAERN OC1CCC(Nc2nccs2)CC1 20566874 169422885 /nfs/dbraw/zinc/42/28/85/169422885.db2.gz FTBYXLCZJNPOIA-UHFFFAOYSA-N 0 0 198.291 1.859 10 0 ADAERN OCC(CO)c1cccc(Cl)c1 44198853 169423115 /nfs/dbraw/zinc/42/31/15/169423115.db2.gz MYABVQAPFGDIDV-UHFFFAOYSA-N 0 0 186.638 1.408 10 0 ADAERN OCC(F)(F)CC1CC1 75411853 169423273 /nfs/dbraw/zinc/42/32/73/169423273.db2.gz TUEROEBTAXNABC-UHFFFAOYSA-N 0 0 136.141 1.414 10 0 ADAERN OC1C[C@@H]2CC[C@H](C1)N=N2 39095647 169423344 /nfs/dbraw/zinc/42/33/44/169423344.db2.gz OOWIDYRSIMVROG-MEKDEQNOSA-N 0 0 140.186 1.124 10 0 ADAERN OCC12CCC(Br)(C1)C2 39112143 169423851 /nfs/dbraw/zinc/42/38/51/169423851.db2.gz KIKODQNGMLRQDQ-UHFFFAOYSA-N 0 0 191.068 1.686 10 0 ADAERN OCC=C1CCC2(CC1)OCCO2 135774179 169423911 /nfs/dbraw/zinc/42/39/11/169423911.db2.gz FZDKNEOUCWHORQ-UHFFFAOYSA-N 0 0 184.235 1.222 10 0 ADAERN OCC1(O)CCCCCC1 95533095 169424070 /nfs/dbraw/zinc/42/40/70/169424070.db2.gz MLWQSNXVTYZRLJ-UHFFFAOYSA-N 0 0 144.214 1.064 10 0 ADAERN OCC1CC(Oc2ccccc2)C1 66347904 169424227 /nfs/dbraw/zinc/42/42/27/169424227.db2.gz FGORXCKWCCCENF-UHFFFAOYSA-N 0 0 178.231 1.836 10 0 ADAERN OCC=C=CO[C@H]1CCCCO1 39089672 169424280 /nfs/dbraw/zinc/42/42/80/169424280.db2.gz NJSWMKNMSOJJEM-UCBSKDFCSA-N 0 0 170.208 1.191 10 0 ADAERN OCCC=C(Cl)Cl 62715444 169424533 /nfs/dbraw/zinc/42/45/33/169424533.db2.gz SWKSVRXPMSGZLW-UHFFFAOYSA-N 0 0 140.997 1.688 10 0 ADAERN OCCCCCn1cccn1 51020208 169424608 /nfs/dbraw/zinc/42/46/08/169424608.db2.gz LNVSNDNQUJTYBX-UHFFFAOYSA-N 0 0 154.213 1.046 10 0 ADAERN OCCCCn1cc(Cl)cn1 38053921 169424749 /nfs/dbraw/zinc/42/47/49/169424749.db2.gz DCIQNRXKBPEHKX-UHFFFAOYSA-N 0 0 174.631 1.309 10 0 ADAERN OCCCCCc1ccncc1 3953273 169424983 /nfs/dbraw/zinc/42/49/83/169424983.db2.gz FOEXZUQNDHODBJ-UHFFFAOYSA-N 0 0 165.236 1.787 10 0 ADAERN OCCC1SCCCS1 196295841 169425013 /nfs/dbraw/zinc/42/50/13/169425013.db2.gz YBACVTHKZMQAJF-UHFFFAOYSA-N 0 0 164.295 1.565 10 0 ADAERN OCCCCCn1cc(Cl)cn1 51020252 169425106 /nfs/dbraw/zinc/42/51/06/169425106.db2.gz MOPKOKACTAPWBR-UHFFFAOYSA-N 0 0 188.658 1.699 10 0 ADAERN OCCC1=Cc2ccccc21 44380052 169425122 /nfs/dbraw/zinc/42/51/22/169425122.db2.gz ZRRVVJPPUVDEIM-UHFFFAOYSA-N 0 0 146.189 1.923 10 0 ADAERN OCCCCn1ncc2ccccc21 50526953 169425235 /nfs/dbraw/zinc/42/52/35/169425235.db2.gz NQZMZVYALQAUOD-UHFFFAOYSA-N 0 0 190.246 1.809 10 0 ADAERN OCCCNc1ccc(F)cc1F 48694118 169425514 /nfs/dbraw/zinc/42/55/14/169425514.db2.gz SAXBKAQBVGHUIM-UHFFFAOYSA-N 0 0 187.189 1.759 10 0 ADAERN OCCCNc1cccc(F)c1 41571384 169425554 /nfs/dbraw/zinc/42/55/54/169425554.db2.gz MVZNFVBJWYDJOM-UHFFFAOYSA-N 0 0 169.199 1.620 10 0 ADAERN OCCCNc1ccc(F)cc1 41571291 169425594 /nfs/dbraw/zinc/42/55/94/169425594.db2.gz UEFGNAVSRHEYBD-UHFFFAOYSA-N 0 0 169.199 1.620 10 0 ADAERN OCCCc1ccc2nsnc2c1 44383558 169426105 /nfs/dbraw/zinc/42/61/05/169426105.db2.gz POXZMIYRRZMYQG-UHFFFAOYSA-N 0 0 194.259 1.616 10 0 ADAERN OCCCc1ccc2n1CCC2 220360245 169426190 /nfs/dbraw/zinc/42/61/90/169426190.db2.gz JZNSJQUKBXARAS-UHFFFAOYSA-N 0 0 165.236 1.359 10 0 ADAERN OCCCc1ccc(Cl)o1 44383303 169426205 /nfs/dbraw/zinc/42/62/05/169426205.db2.gz ANDBAGIJXJOAJC-UHFFFAOYSA-N 0 0 160.600 1.858 10 0 ADAERN OCCN1CCC=Cc2ccccc21 336525383 169426227 /nfs/dbraw/zinc/42/62/27/169426227.db2.gz GYSMVYZGVNFZFD-UHFFFAOYSA-N 0 0 189.258 1.902 10 0 ADAERN OCCN1CCO[C@@H]1c1ccccc1 39258975 169426700 /nfs/dbraw/zinc/42/67/00/169426700.db2.gz SOXALKOOANKAEB-LLVKDONJSA-N 0 0 193.246 1.010 10 0 ADAERN OCCCc1cccc2nsnc12 44396052 169426854 /nfs/dbraw/zinc/42/68/54/169426854.db2.gz DSAWELFQGRFFHW-UHFFFAOYSA-N 0 0 194.259 1.616 10 0 ADAERN OCCCc1ccc(CO)s1 44383505 169426881 /nfs/dbraw/zinc/42/68/81/169426881.db2.gz XVARJFROEFDHCL-UHFFFAOYSA-N 0 0 172.249 1.165 10 0 ADAERN OCCCc1ccc2c(c1)CCCO2 82530594 169426951 /nfs/dbraw/zinc/42/69/51/169426951.db2.gz KJMDFOTVOMAFGD-UHFFFAOYSA-N 0 0 192.258 1.937 10 0 ADAERN OCCCn1ncc2ccccc21 50526959 169426972 /nfs/dbraw/zinc/42/69/72/169426972.db2.gz SBMPTHJNZLLPFR-UHFFFAOYSA-N 0 0 176.219 1.419 10 0 ADAERN OCCN1CCc2c(F)ccc(F)c21 334262199 169428307 /nfs/dbraw/zinc/42/83/07/169428307.db2.gz UXSWPOIAVDRJJJ-UHFFFAOYSA-N 0 0 199.200 1.320 10 0 ADAERN OCCOCn1cnc2ccccc21 31575658 169428666 /nfs/dbraw/zinc/42/86/66/169428666.db2.gz CEPOBBMKTRLNKD-UHFFFAOYSA-N 0 0 192.218 1.003 10 0 ADAERN OCCOc1ccc2c(c1)CCCC2 19786118 169428792 /nfs/dbraw/zinc/42/87/92/169428792.db2.gz FUZXVNLZDGGRJN-UHFFFAOYSA-N 0 0 192.258 1.937 10 0 ADAERN OCCOc1cccc2cnccc12 39119765 169429013 /nfs/dbraw/zinc/42/90/13/169429013.db2.gz DRDPUEDOROQMQU-UHFFFAOYSA-N 0 0 189.214 1.606 10 0 ADAERN OCCNc1cccc2c1OCCC2 306453955 169429029 /nfs/dbraw/zinc/42/90/29/169429029.db2.gz OLLTYBVFJAZWOX-UHFFFAOYSA-N 0 0 193.246 1.416 10 0 ADAERN OCCOc1cccc2c1OCCC2 335345032 169429100 /nfs/dbraw/zinc/42/91/00/169429100.db2.gz GLHNJUXENGLWOK-UHFFFAOYSA-N 0 0 194.230 1.383 10 0 ADAERN OCCOCc1cccc2ocnc12 89195206 169429156 /nfs/dbraw/zinc/42/91/56/169429156.db2.gz VNIIKDNWMWFVPS-UHFFFAOYSA-N 0 0 193.202 1.337 10 0 ADAERN OCCNc1ccc2ncccc2c1 82710847 169429196 /nfs/dbraw/zinc/42/91/96/169429196.db2.gz WHLIKEKELPWXBW-UHFFFAOYSA-N 0 0 188.230 1.639 10 0 ADAERN OCC[C@H]1CCCn2cccc21 38301558 169429293 /nfs/dbraw/zinc/42/92/93/169429293.db2.gz YPCMYAYYUWEZLI-SECBINFHSA-N 0 0 165.236 1.748 10 0 ADAERN OCC[C@@H](O)c1c[nH]c2ccccc12 71500998 169429302 /nfs/dbraw/zinc/42/93/02/169429302.db2.gz QAUFSNKWNXVHDX-LLVKDONJSA-N 0 0 191.230 1.584 10 0 ADAERN OCC[C@H]1CNc2cc(F)ccc21 71486909 169429306 /nfs/dbraw/zinc/42/93/06/169429306.db2.gz CFTOIIPFINRRMS-ZETCQYMHSA-N 0 0 181.210 1.717 10 0 ADAERN OCC[C@H]1CCCC2(C1)OCCO2 114478585 169429312 /nfs/dbraw/zinc/42/93/12/169429312.db2.gz QQPLBWPJIGOXEA-SECBINFHSA-N 0 0 186.251 1.302 10 0 ADAERN OCC[C@@H](O)c1ccc(Cl)s1 71506229 169429323 /nfs/dbraw/zinc/42/93/23/169429323.db2.gz DQTMWHQLTIOFFC-RXMQYKEDSA-N 0 0 192.667 1.817 10 0 ADAERN OCC[C@@H]1CCC[C@@H](C(F)(F)F)N1 29473354 169429336 /nfs/dbraw/zinc/42/93/36/169429336.db2.gz NPJXKDXHPZSUAE-BQBZGAKWSA-N 0 0 197.200 1.442 10 0 ADAERN OCCc1cc(F)cc2cc[nH]c12 44381805 169429383 /nfs/dbraw/zinc/42/93/83/169429383.db2.gz REZGCYCCTXNPCV-UHFFFAOYSA-N 0 0 179.194 1.842 10 0 ADAERN OCC[C@@H](O)c1ccc(F)cc1F 71500104 169429446 /nfs/dbraw/zinc/42/94/46/169429446.db2.gz UHLNSIIVUPVMTP-SECBINFHSA-N 0 0 188.173 1.381 10 0 ADAERN OCC[C@@H]1CCCC[C@H]1F 44381747 169429447 /nfs/dbraw/zinc/42/94/47/169429447.db2.gz JYYCNMZHMPKCNC-JGVFFNPUSA-N 0 0 146.205 1.897 10 0 ADAERN OCCc1ccc(-c2cn[nH]c2)cc1 44381593 169429515 /nfs/dbraw/zinc/42/95/15/169429515.db2.gz LVRCRZQOBFZNFA-UHFFFAOYSA-N 0 0 188.230 1.612 10 0 ADAERN OCC[C@@H](O)c1ccc(F)cc1 35079920 169429533 /nfs/dbraw/zinc/42/95/33/169429533.db2.gz GEWDSLKGMMEOAZ-SECBINFHSA-N 0 0 170.183 1.242 10 0 ADAERN OCC[C@@H]1C=CCCC1 37625732 169429662 /nfs/dbraw/zinc/42/96/62/169429662.db2.gz NXKMMWGHYIZNSK-MRVPVSSYSA-N 0 0 126.199 1.725 10 0 ADAERN OCC[C@@H]1CCCSC1 82408927 169429778 /nfs/dbraw/zinc/42/97/78/169429778.db2.gz RNOJQMFTNLFFBI-ZETCQYMHSA-N 0 0 146.255 1.512 10 0 ADAERN OCCc1cc(F)c2[nH]ccc2c1 44381810 169429798 /nfs/dbraw/zinc/42/97/98/169429798.db2.gz WQTGPAJNQJGKPJ-UHFFFAOYSA-N 0 0 179.194 1.842 10 0 ADAERN OCC[C@H]1CCCSCC1 82405235 169429913 /nfs/dbraw/zinc/42/99/13/169429913.db2.gz LGPGBKGNSYYZFU-MRVPVSSYSA-N 0 0 160.282 1.902 10 0 ADAERN OCC[C@H]1CCCC[C@@H]1F 44381752 169429949 /nfs/dbraw/zinc/42/99/49/169429949.db2.gz JYYCNMZHMPKCNC-SFYZADRCSA-N 0 0 146.205 1.897 10 0 ADAERN OCC[C@H](O)c1ccc(F)cc1F 71500105 169430111 /nfs/dbraw/zinc/43/01/11/169430111.db2.gz UHLNSIIVUPVMTP-VIFPVBQESA-N 0 0 188.173 1.381 10 0 ADAERN OCC[C@H](O)c1ccccc1Cl 143561898 169430114 /nfs/dbraw/zinc/43/01/14/169430114.db2.gz FZDSULCYDIFJPE-VIFPVBQESA-N 0 0 186.638 1.756 10 0 ADAERN OCC[C@@H]1C[C@H]2CC[C@@H]1C2 18617658 169430178 /nfs/dbraw/zinc/43/01/78/169430178.db2.gz KCJSRRQHLVFCEM-DJLDLDEBSA-N 0 0 140.226 1.805 10 0 ADAERN OCCc1ccccc1C1OCCO1 44379964 169430207 /nfs/dbraw/zinc/43/02/07/169430207.db2.gz ZZHHWYQWOMLYSB-UHFFFAOYSA-N 0 0 194.230 1.267 10 0 ADAERN OCCc1ccc(C2OCCO2)cc1 44380658 169430247 /nfs/dbraw/zinc/43/02/47/169430247.db2.gz NFRBQGDJEXNNCU-UHFFFAOYSA-N 0 0 194.230 1.267 10 0 ADAERN OCOCc1ccccc1 5933554 169430262 /nfs/dbraw/zinc/43/02/62/169430262.db2.gz PETXWIMJICIQTQ-UHFFFAOYSA-N 0 0 138.166 1.153 10 0 ADAERN OCCn1ccnc1-c1cccs1 45048563 169430394 /nfs/dbraw/zinc/43/03/94/169430394.db2.gz YJOSQOYTNOTKIC-UHFFFAOYSA-N 0 0 194.259 1.604 10 0 ADAERN OCCn1ccccc1=S 39124522 169430501 /nfs/dbraw/zinc/43/05/01/169430501.db2.gz DLWIPKNAMQBFRO-UHFFFAOYSA-N 0 0 155.222 1.210 10 0 ADAERN OCCc1cnc2[nH]ccc2c1 44381048 169430628 /nfs/dbraw/zinc/43/06/28/169430628.db2.gz NIFYBGXCAVCSAN-UHFFFAOYSA-N 0 0 162.192 1.098 10 0 ADAERN OCCc1ccc2ccoc2c1 39038345 169430796 /nfs/dbraw/zinc/43/07/96/169430796.db2.gz SZBFSWCRRGSEPA-UHFFFAOYSA-N 0 0 162.188 1.968 10 0 ADAERN Cc1cc(C(F)(F)CN)c(C)o1 137041315 343983305 /nfs/dbraw/zinc/98/33/05/343983305.db2.gz YRHKZBOLXIBMII-UHFFFAOYSA-N 0 0 175.178 1.947 10 0 ADAERN OCCc1ccc(N2CCCC2)cc1 19780368 169430814 /nfs/dbraw/zinc/43/08/14/169430814.db2.gz SIWBRPYLIAGPCA-UHFFFAOYSA-N 0 0 191.274 1.822 10 0 ADAERN OCOCC=C1CCCCC1 39087944 169430928 /nfs/dbraw/zinc/43/09/28/169430928.db2.gz RYQJZSUZDQHDMW-UHFFFAOYSA-N 0 0 156.225 1.843 10 0 ADAERN OCCc1ccc2n[nH]cc2c1 44381195 169430970 /nfs/dbraw/zinc/43/09/70/169430970.db2.gz NYKWSDLROUDMEO-UHFFFAOYSA-N 0 0 162.192 1.098 10 0 ADAERN OC[C@@H](O)c1cc(Cl)ccc1F 83264887 169431507 /nfs/dbraw/zinc/43/15/07/169431507.db2.gz POPJYFVGDARTBK-MRVPVSSYSA-N 0 0 190.601 1.505 10 0 ADAERN OC[C@@H]1CCCN1c1cccc(F)n1 42435218 169431602 /nfs/dbraw/zinc/43/16/02/169431602.db2.gz YHSWKMZABKNBGT-QMMMGPOBSA-N 0 0 196.225 1.182 10 0 ADAERN OC[C@@H](O)c1ccc(F)c(Cl)c1 83264200 169431799 /nfs/dbraw/zinc/43/17/99/169431799.db2.gz XULROQXFUZRFPA-MRVPVSSYSA-N 0 0 190.601 1.505 10 0 ADAERN OC[C@@H](O)c1cc(F)c(F)c(F)c1 95532592 169431833 /nfs/dbraw/zinc/43/18/33/169431833.db2.gz UGOXHGNJILLWPV-SSDOTTSWSA-N 0 0 192.136 1.130 10 0 ADAERN OC[C@@H]1CCCCC[C@H]1CO 145054478 169431836 /nfs/dbraw/zinc/43/18/36/169431836.db2.gz MURSOCNFPSTUMN-IUCAKERBSA-N 0 0 158.241 1.168 10 0 ADAERN OC[C@@H](Nc1ccccc1)C1CC1 41047680 169431853 /nfs/dbraw/zinc/43/18/53/169431853.db2.gz PLYXATZWOWADNP-LLVKDONJSA-N 0 0 177.247 1.869 10 0 ADAERN OC[C@@H](O)/C=C/c1ccccc1 1557146 169431857 /nfs/dbraw/zinc/43/18/57/169431857.db2.gz NIKBSMYNKTUHIF-FGEFZZPRSA-N 0 0 164.204 1.053 10 0 ADAERN OC[C@@H]1CCCCN1c1nccs1 40433436 169431881 /nfs/dbraw/zinc/43/18/81/169431881.db2.gz CICFXYHGKWONOC-QMMMGPOBSA-N 0 0 198.291 1.494 10 0 ADAERN OC[C@@H]1CNc2c(Cl)cccc2C1 11984947 169432556 /nfs/dbraw/zinc/43/25/56/169432556.db2.gz MRBPGIQTZLFMGP-ZETCQYMHSA-N 0 0 197.665 1.917 10 0 ADAERN OC[C@@H]1CNc2cc(F)ccc21 71486811 169432706 /nfs/dbraw/zinc/43/27/06/169432706.db2.gz GARYYXTWSKJPEK-LURJTMIESA-N 0 0 167.183 1.327 10 0 ADAERN OC[C@@H]1CCN(c2cccc(O)c2)C1 49474408 169432792 /nfs/dbraw/zinc/43/27/92/169432792.db2.gz PGLWRONSUWDBKR-SECBINFHSA-N 0 0 193.246 1.211 10 0 ADAERN OC[C@@H]1CNc2ccc(F)cc21 71486748 169432862 /nfs/dbraw/zinc/43/28/62/169432862.db2.gz QEMUFNKDCFVBBD-LURJTMIESA-N 0 0 167.183 1.327 10 0 ADAERN OC[C@@H]1O[C@@H]1c1cccc(Cl)c1 166545452 169433155 /nfs/dbraw/zinc/43/31/55/169433155.db2.gz CBVIYQISIWXPFD-DTWKUNHWSA-N 0 0 184.622 1.772 10 0 ADAERN OC[C@@H]1Cc2ccc(F)cc2[C@H](O)C1 57937614 169433190 /nfs/dbraw/zinc/43/31/90/169433190.db2.gz IQXFJUZFUOUNHK-RDDDGLTNSA-N 0 0 196.221 1.414 10 0 ADAERN OC[C@@H]1C[C@H]1COc1ccc(F)cc1 238659662 169433383 /nfs/dbraw/zinc/43/33/83/169433383.db2.gz MIANIHSRIILDSY-IUCAKERBSA-N 0 0 196.221 1.833 10 0 ADAERN OC[C@@H]1C[C@H]1COc1ccccc1 238659809 169433410 /nfs/dbraw/zinc/43/34/10/169433410.db2.gz PWTSFUSMLRLWBB-UWVGGRQHSA-N 0 0 178.231 1.694 10 0 ADAERN OC[C@@H]1C[C@H](c2ccccc2)O1 196484710 169433491 /nfs/dbraw/zinc/43/34/91/169433491.db2.gz RHDWQQSYKQBDGI-VHSXEESVSA-N 0 0 164.204 1.509 10 0 ADAERN OC[C@@H]1C[C@H]2CCCC[C@@H]2O1 238854993 169433755 /nfs/dbraw/zinc/43/37/55/169433755.db2.gz QAKBGCPVNOIYAO-VGMNWLOBSA-N 0 0 156.225 1.326 10 0 ADAERN OC[C@H](O)c1ccc2c(c1)CCC2 71497441 169434112 /nfs/dbraw/zinc/43/41/12/169434112.db2.gz SYJJOWUKWHHZHG-NSHDSACASA-N 0 0 178.231 1.201 10 0 ADAERN OC[C@H]1CC2(CCCCC2)O1 196484554 169434123 /nfs/dbraw/zinc/43/41/23/169434123.db2.gz UFXTYIMKRAZXMV-MRVPVSSYSA-N 0 0 156.225 1.471 10 0 ADAERN OC[C@H]1CCCC12SCCS2 39112082 169434178 /nfs/dbraw/zinc/43/41/78/169434178.db2.gz DGKDZZZHZXDULC-SSDOTTSWSA-N 0 0 190.333 1.955 10 0 ADAERN OC[C@H](O)c1cc(F)c(F)c(F)c1 95532593 169434615 /nfs/dbraw/zinc/43/46/15/169434615.db2.gz UGOXHGNJILLWPV-ZETCQYMHSA-N 0 0 192.136 1.130 10 0 ADAERN OC[C@@]1(c2ccc(F)cc2F)CO1 34380841 169434691 /nfs/dbraw/zinc/43/46/91/169434691.db2.gz WUSWCTQDBNDGFD-VIFPVBQESA-N 0 0 186.157 1.183 10 0 ADAERN OC[C@H]1CCN(c2ccccc2O)C1 49474369 169434971 /nfs/dbraw/zinc/43/49/71/169434971.db2.gz CGZKVSNBGKWPRS-VIFPVBQESA-N 0 0 193.246 1.211 10 0 ADAERN OC[C@H]1CNc2ccc(Cl)cc21 71486753 169434985 /nfs/dbraw/zinc/43/49/85/169434985.db2.gz GKUMYQDUYHIWDU-ZCFIWIBFSA-N 0 0 183.638 1.841 10 0 ADAERN OC[C@H]1CCCN1c1ccc(F)cn1 42434745 169435022 /nfs/dbraw/zinc/43/50/22/169435022.db2.gz DCGUYSJULFMALT-SECBINFHSA-N 0 0 196.225 1.182 10 0 ADAERN OC[C@H]1CCN(c2cccc(O)c2)C1 49474407 169435031 /nfs/dbraw/zinc/43/50/31/169435031.db2.gz PGLWRONSUWDBKR-VIFPVBQESA-N 0 0 193.246 1.211 10 0 ADAERN OC[C@H]1CCCN1c1cccc(F)n1 42435217 169435090 /nfs/dbraw/zinc/43/50/90/169435090.db2.gz YHSWKMZABKNBGT-MRVPVSSYSA-N 0 0 196.225 1.182 10 0 ADAERN OC[C@H]1CNc2cc(Cl)ccc21 71486764 169435117 /nfs/dbraw/zinc/43/51/17/169435117.db2.gz ZTMCFSSHLHNIHD-ZCFIWIBFSA-N 0 0 183.638 1.841 10 0 ADAERN OC[C@H]1CNc2cc(F)ccc21 71486810 169435179 /nfs/dbraw/zinc/43/51/79/169435179.db2.gz GARYYXTWSKJPEK-ZCFIWIBFSA-N 0 0 167.183 1.327 10 0 ADAERN OC[C@H]1CCc2cc(F)ccc2C1 57936367 169435257 /nfs/dbraw/zinc/43/52/57/169435257.db2.gz WADVUJKYKZDQGG-QMMMGPOBSA-N 0 0 180.222 1.923 10 0 ADAERN OC[C@H]1CCCCN1c1nccs1 40433435 169435416 /nfs/dbraw/zinc/43/54/16/169435416.db2.gz CICFXYHGKWONOC-MRVPVSSYSA-N 0 0 198.291 1.494 10 0 ADAERN OC[C@H]1CNc2ccc(F)cc2C1 11984944 169435700 /nfs/dbraw/zinc/43/57/00/169435700.db2.gz HCAYTZSIHGKTDC-SSDOTTSWSA-N 0 0 181.210 1.402 10 0 ADAERN OC[C@H]1CCCCC[C@@H]1CO 145054287 169435729 /nfs/dbraw/zinc/43/57/29/169435729.db2.gz MURSOCNFPSTUMN-RKDXNWHRSA-N 0 0 158.241 1.168 10 0 ADAERN OC[C@H]1Cc2ccccc2[C@@H](O)C1 57936101 169436215 /nfs/dbraw/zinc/43/62/15/169436215.db2.gz HORBZNNRSXNJKD-KWQFWETISA-N 0 0 178.231 1.275 10 0 ADAERN OC[C@H]1C[C@@H](c2ccccc2)O1 196484679 169437019 /nfs/dbraw/zinc/43/70/19/169437019.db2.gz RHDWQQSYKQBDGI-ZJUUUORDSA-N 0 0 164.204 1.509 10 0 ADAERN OCc1cc(Cl)cc(CO)c1 14985603 169437210 /nfs/dbraw/zinc/43/72/10/169437210.db2.gz CNFMFSVMWFZGSC-UHFFFAOYSA-N 0 0 172.611 1.325 10 0 ADAERN OC[C@]1(c2ccc(F)cc2F)CO1 34560846 169437688 /nfs/dbraw/zinc/43/76/88/169437688.db2.gz WUSWCTQDBNDGFD-SECBINFHSA-N 0 0 186.157 1.183 10 0 ADAERN OCc1cc(Cc2ccccc2)no1 27520795 169437690 /nfs/dbraw/zinc/43/76/90/169437690.db2.gz SKCJRQAZVNRZHY-UHFFFAOYSA-N 0 0 189.214 1.758 10 0 ADAERN OCc1cc2n[nH]cc2s1 90729158 169437817 /nfs/dbraw/zinc/43/78/17/169437817.db2.gz HNLYSYKLOTUMJR-UHFFFAOYSA-N 0 0 154.194 1.117 10 0 ADAERN OCc1cc(F)cc2c1OCC2 95751889 169437833 /nfs/dbraw/zinc/43/78/33/169437833.db2.gz ZFCLOEWAULWEFO-UHFFFAOYSA-N 0 0 168.167 1.253 10 0 ADAERN OCc1cc(C2CCC2)no1 45813909 169437837 /nfs/dbraw/zinc/43/78/37/169437837.db2.gz ZGTHEZODTASENW-UHFFFAOYSA-N 0 0 153.181 1.434 10 0 ADAERN OCc1[nH]cnc1-c1ccccc1 59509688 169437910 /nfs/dbraw/zinc/43/79/10/169437910.db2.gz OFNSZWGDGFNFEA-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN OCc1cc(C2CCCC2)no1 39113263 169437970 /nfs/dbraw/zinc/43/79/70/169437970.db2.gz RLZFOQNNFFKDIM-UHFFFAOYSA-N 0 0 167.208 1.825 10 0 ADAERN OCc1cc(F)ccc1N1CCCC1 37234086 169438006 /nfs/dbraw/zinc/43/80/06/169438006.db2.gz BVSBWTWUFSHFPG-UHFFFAOYSA-N 0 0 195.237 1.918 10 0 ADAERN OCc1ccc([C@@H](O)C[C@H]2CO2)cc1 87493589 169438347 /nfs/dbraw/zinc/43/83/47/169438347.db2.gz ARDLQSJWSTVJNF-QWRGUYRKSA-N 0 0 194.230 1.001 10 0 ADAERN OCc1ccc(C2OCCO2)cc1 34496619 169438380 /nfs/dbraw/zinc/43/83/80/169438380.db2.gz OSSSEXIGKVKXPO-UHFFFAOYSA-N 0 0 180.203 1.224 10 0 ADAERN OCc1ccc(CF)cn1 39050114 169438385 /nfs/dbraw/zinc/43/83/85/169438385.db2.gz BIJPUEBJPVFNFK-UHFFFAOYSA-N 0 0 141.145 1.043 10 0 ADAERN OCc1ccc2cccc(F)c2n1 62566808 169438393 /nfs/dbraw/zinc/43/83/93/169438393.db2.gz GLERPMYECIHVFR-UHFFFAOYSA-N 0 0 177.178 1.866 10 0 ADAERN OCc1ccc2c(c1)ncn2C1CC1 82588193 169438467 /nfs/dbraw/zinc/43/84/67/169438467.db2.gz BKLLLEVOHBIFHV-UHFFFAOYSA-N 0 0 188.230 1.864 10 0 ADAERN OCc1ccc(Cl)c2n[nH]cc12 91368585 169438485 /nfs/dbraw/zinc/43/84/85/169438485.db2.gz XDTXHPPWWRPFIH-UHFFFAOYSA-N 0 0 182.610 1.709 10 0 in-vitro ADAERN OCc1ccc(OCC2CC2)nc1 40884023 169438762 /nfs/dbraw/zinc/43/87/62/169438762.db2.gz DIZSXKHXNOVHMR-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN OCc1ccc2c(F)cccc2n1 57348589 169438789 /nfs/dbraw/zinc/43/87/89/169438789.db2.gz HEHRKZAMDQTJAS-UHFFFAOYSA-N 0 0 177.178 1.866 10 0 ADAERN OCc1ccc2c(c1)NCCC2 114078038 169438834 /nfs/dbraw/zinc/43/88/34/169438834.db2.gz CTRBFJUGIGJMCH-UHFFFAOYSA-N 0 0 163.220 1.537 10 0 ADAERN OCc1ccc(OC2CCCC2)nn1 40882701 169438960 /nfs/dbraw/zinc/43/89/60/169438960.db2.gz IZBFCPCTUIYNFI-UHFFFAOYSA-N 0 0 194.234 1.290 10 0 ADAERN OCc1ccc(F)c(F)c1O 39125649 169438991 /nfs/dbraw/zinc/43/89/91/169438991.db2.gz HRGCLSMDNUIYJP-UHFFFAOYSA-N 0 0 160.119 1.163 10 0 ADAERN OCc1cnc2ccsc2c1 34211406 169439210 /nfs/dbraw/zinc/43/92/10/169439210.db2.gz OCGKXXZRXPLFMT-UHFFFAOYSA-N 0 0 165.217 1.789 10 0 ADAERN OCc1cnc(F)c(Cl)c1 96102662 169439213 /nfs/dbraw/zinc/43/92/13/169439213.db2.gz CNMRJFMSRQTIQI-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN OCc1cn2cccc(Cl)c2n1 82695842 169439218 /nfs/dbraw/zinc/43/92/18/169439218.db2.gz CINAJMWKLTZHPE-UHFFFAOYSA-N 0 0 182.610 1.480 10 0 ADAERN OCc1c[nH]c(-c2ccc(O)cc2)n1 34108807 169439252 /nfs/dbraw/zinc/43/92/52/169439252.db2.gz DQZYRKBSXXTUBK-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN OCc1ccnn1Cc1ccccc1 34076173 169439284 /nfs/dbraw/zinc/43/92/84/169439284.db2.gz RHUQYOOARRTBAN-UHFFFAOYSA-N 0 0 188.230 1.424 10 0 ADAERN OCc1ccnc(OCC2CC2)c1 40884027 169439291 /nfs/dbraw/zinc/43/92/91/169439291.db2.gz GBTADROZXCVEGA-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN OCc1ccn2ccccc12 24727458 169439448 /nfs/dbraw/zinc/43/94/48/169439448.db2.gz XFZRAHGBMMNSLB-UHFFFAOYSA-N 0 0 147.177 1.432 10 0 ADAERN OCc1cnc(-c2ccccn2)s1 62201180 169439487 /nfs/dbraw/zinc/43/94/87/169439487.db2.gz AEYWXGIKBNKFDE-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN OCc1cncc2ccoc12 39050143 169439588 /nfs/dbraw/zinc/43/95/88/169439588.db2.gz QDBRSUCMTUHRPH-UHFFFAOYSA-N 0 0 149.149 1.320 10 0 ADAERN OCc1cccc2cncnc12 95930347 169439691 /nfs/dbraw/zinc/43/96/91/169439691.db2.gz DVIHBKDASNGUPE-UHFFFAOYSA-N 0 0 160.176 1.122 10 0 ADAERN OCc1cccnc1OC1CCCC1 40882675 169439716 /nfs/dbraw/zinc/43/97/16/169439716.db2.gz BCZAIYKELAWVCH-UHFFFAOYSA-N 0 0 193.246 1.895 10 0 ADAERN OCc1cnc(-c2cccnc2)s1 62201183 169439807 /nfs/dbraw/zinc/43/98/07/169439807.db2.gz SPICLIDXLMIBEV-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN OCc1cncc(Cl)c1Cl 144741925 169439903 /nfs/dbraw/zinc/43/99/03/169439903.db2.gz MDPXYFSSVRVBQV-UHFFFAOYSA-N 0 0 178.018 1.881 10 0 ADAERN OCc1cnc2ccc(F)cc2c1 72206402 169439978 /nfs/dbraw/zinc/43/99/78/169439978.db2.gz HSMCDLSQMVXBLJ-UHFFFAOYSA-N 0 0 177.178 1.866 10 0 ADAERN OCc1nc2ccc(Cl)cc2o1 75844773 169440118 /nfs/dbraw/zinc/44/01/18/169440118.db2.gz QZJIPESWXVCZJY-UHFFFAOYSA-N 0 0 183.594 1.974 10 0 ADAERN OCc1noc(-c2ccsc2)n1 36757701 169440154 /nfs/dbraw/zinc/44/01/54/169440154.db2.gz UTSITCVXAXRIFQ-UHFFFAOYSA-N 0 0 182.204 1.290 10 0 ADAERN OCc1nc(-c2ccccc2)c[nH]1 35854950 169440164 /nfs/dbraw/zinc/44/01/64/169440164.db2.gz BZNNICSLFSDPRC-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN OCc1nc2cc(O)ccc2s1 75844625 169440225 /nfs/dbraw/zinc/44/02/25/169440225.db2.gz LDKMEXZKTNDBRR-UHFFFAOYSA-N 0 0 181.216 1.494 10 0 ADAERN OCc1nc2cccc3c2n1CCC3 37637672 169440268 /nfs/dbraw/zinc/44/02/68/169440268.db2.gz SQWICPXTAJTKMV-UHFFFAOYSA-N 0 0 188.230 1.475 10 0 ADAERN OCc1ncc(-c2ccc[nH]2)s1 83250386 169440393 /nfs/dbraw/zinc/44/03/93/169440393.db2.gz VLVOJGGOMZDVNG-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN OCc1ncc(-c2ccccn2)s1 83250390 169440553 /nfs/dbraw/zinc/44/05/53/169440553.db2.gz LVAKNYRGIQGAIE-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN OCc1nc2cc(O)ccc2o1 58007344 169440606 /nfs/dbraw/zinc/44/06/06/169440606.db2.gz RYCVFJBLPQQYHY-UHFFFAOYSA-N 0 0 165.148 1.026 10 0 ADAERN OCc1ncc(-c2cccnc2)s1 83250378 169440708 /nfs/dbraw/zinc/44/07/08/169440708.db2.gz YKNUWCOYPFTOJP-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN OCc1ncc(-c2ccco2)o1 40543328 169440836 /nfs/dbraw/zinc/44/08/36/169440836.db2.gz WHIAIWFEJACMFE-UHFFFAOYSA-N 0 0 165.148 1.427 10 0 ADAERN OCc1csc(-c2ccco2)n1 32007519 169440840 /nfs/dbraw/zinc/44/08/40/169440840.db2.gz IXETUGOEGNLJSN-UHFFFAOYSA-N 0 0 181.216 1.895 10 0 ADAERN OCc1nccc2c(F)cccc12 82778888 169440900 /nfs/dbraw/zinc/44/09/00/169440900.db2.gz YTTQNJCLEHNIDX-UHFFFAOYSA-N 0 0 177.178 1.866 10 0 ADAERN OCc1ncc(-c2ccncc2)s1 75844628 169440902 /nfs/dbraw/zinc/44/09/02/169440902.db2.gz BYPLBLURKNEPNN-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN ON1CCC(CCF)CC1 95932404 169440930 /nfs/dbraw/zinc/44/09/30/169440930.db2.gz GZMAENOESKSEKW-UHFFFAOYSA-N 0 0 147.193 1.447 10 0 ADAERN OCc1coc2ccc(O)cc12 34545708 169440949 /nfs/dbraw/zinc/44/09/49/169440949.db2.gz OOUGRUFOKJNNBT-UHFFFAOYSA-N 0 0 164.160 1.631 10 0 ADAERN OCc1nc2cnccc2s1 62716672 169440961 /nfs/dbraw/zinc/44/09/61/169440961.db2.gz SMBQNZCADOLJCR-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN OCc1nccn1CC1CCC1 39082302 169440972 /nfs/dbraw/zinc/44/09/72/169440972.db2.gz PPYQSDVNKHILSB-UHFFFAOYSA-N 0 0 166.224 1.176 10 0 ADAERN ONCc1cccc2[nH]ccc12 82850453 169441090 /nfs/dbraw/zinc/44/10/90/169441090.db2.gz NSAMDHIMCRXXOD-UHFFFAOYSA-N 0 0 162.192 1.647 10 0 ADAERN ONC[C@@H]1CCCSC1 96861987 169441103 /nfs/dbraw/zinc/44/11/03/169441103.db2.gz OLNZNZQPGXZZIA-LURJTMIESA-N 0 0 147.243 1.108 10 0 ADAERN ONC[C@H](O)c1ccc2c(c1)CCC2 49807110 169441133 /nfs/dbraw/zinc/44/11/33/169441133.db2.gz HOISLBMUZPNZGZ-NSHDSACASA-N 0 0 193.246 1.188 10 0 ADAERN ONCC1CCCCC1 34352225 169441235 /nfs/dbraw/zinc/44/12/35/169441235.db2.gz VGAMSZJHHLTUIB-UHFFFAOYSA-N 0 0 129.203 1.546 10 0 ADAERN ONCc1ccccc1N1CCCC1 82891467 169441302 /nfs/dbraw/zinc/44/13/02/169441302.db2.gz CBCNHQQZCUAQQE-UHFFFAOYSA-N 0 0 192.262 1.766 10 0 ADAERN ONCC1CCCC1 82835617 169441358 /nfs/dbraw/zinc/44/13/58/169441358.db2.gz RUKHNVIOKWDUGI-UHFFFAOYSA-N 0 0 115.176 1.155 10 0 ADAERN Cc1nn(C)c(C)c1C(F)(F)CN 137044008 343983308 /nfs/dbraw/zinc/98/33/08/343983308.db2.gz DXYUJZWYDPTRLA-UHFFFAOYSA-N 0 0 189.209 1.087 10 0 ADAERN ONC(=S)NC1CCCCC1 15783304 169441535 /nfs/dbraw/zinc/44/15/35/169441535.db2.gz ULJZFXHVACSLSM-UHFFFAOYSA-N 0 0 174.269 1.172 10 0 ADAERN ONCc1ccc(Cl)s1 83269592 169441541 /nfs/dbraw/zinc/44/15/41/169441541.db2.gz OKJDCDUSMUBIOR-UHFFFAOYSA-N 0 0 163.629 1.880 10 0 ADAERN ONCc1ccc(Br)o1 83278149 169441666 /nfs/dbraw/zinc/44/16/66/169441666.db2.gz BZWHJBYAACFQKR-UHFFFAOYSA-N 0 0 192.012 1.521 10 0 ADAERN ONCc1cc2ccccc2[nH]1 82850444 169441750 /nfs/dbraw/zinc/44/17/50/169441750.db2.gz WBDKQJQJWAFJIT-UHFFFAOYSA-N 0 0 162.192 1.647 10 0 ADAERN ONCc1ccc(Cl)o1 83268054 169441833 /nfs/dbraw/zinc/44/18/33/169441833.db2.gz QNUHBMBIKMKLME-UHFFFAOYSA-N 0 0 147.561 1.412 10 0 ADAERN ONCCc1ccccc1 6096194 169441910 /nfs/dbraw/zinc/44/19/10/169441910.db2.gz MXXMJJSIJDMYJZ-UHFFFAOYSA-N 0 0 137.182 1.208 10 0 in-vitro ADAERN ONc1c(F)cc(F)cc1F 39089035 169442248 /nfs/dbraw/zinc/44/22/48/169442248.db2.gz OSVZCOCKZWZBMM-UHFFFAOYSA-N 0 0 163.098 1.905 10 0 ADAERN ONCc1ccnc2ccccc12 83272239 169442259 /nfs/dbraw/zinc/44/22/59/169442259.db2.gz TZRVCEWZZZBWOA-UHFFFAOYSA-N 0 0 174.203 1.714 10 0 ADAERN O[C@@H]1C=C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]12 36419733 169442675 /nfs/dbraw/zinc/44/26/75/169442675.db2.gz HRWRJUVJOLBMST-VAPHQMJDSA-N 0 0 150.221 1.579 10 0 ADAERN O[C@@H](c1ccccc1)c1cocn1 34364487 169442698 /nfs/dbraw/zinc/44/26/98/169442698.db2.gz RDDXFKHBIQQVQW-JTQLQIEISA-N 0 0 175.187 1.756 10 0 ADAERN O[C@@H](c1ccccc1)[C@@H]1CCCO1 40243979 169442737 /nfs/dbraw/zinc/44/27/37/169442737.db2.gz SBPZYRHUASAHAV-QWRGUYRKSA-N 0 0 178.231 1.899 10 0 ADAERN O[C@@H]1CC=Cc2ncccc21 20983221 169442789 /nfs/dbraw/zinc/44/27/89/169442789.db2.gz AGKPPDZXRVKTLO-SECBINFHSA-N 0 0 147.177 1.532 10 0 ADAERN O[C@@H]1CC(F)(F)[C@]1(F)Cl 34324419 169442795 /nfs/dbraw/zinc/44/27/95/169442795.db2.gz DAKIJMUFJSCSMW-FONMRSAGSA-N 0 0 160.522 1.291 10 0 ADAERN O[C@@H]1C=C[C@@H]2C[C@@H]2[C@@H]2C[C@H]12 222346009 169443086 /nfs/dbraw/zinc/44/30/86/169443086.db2.gz TVFFAGPEAJNUND-ZTKNNBQKSA-N 0 0 136.194 1.189 10 0 ADAERN O[C@@H]1C=Cc2ncccc2C1 39051222 169443100 /nfs/dbraw/zinc/44/31/00/169443100.db2.gz PMXFLGPJLVIVHR-MRVPVSSYSA-N 0 0 147.177 1.012 10 0 ADAERN O[C@@H]1CC(c2ccccc2Cl)=NO1 196593194 169443120 /nfs/dbraw/zinc/44/31/20/169443120.db2.gz GLKIZULXEHCSNA-VIFPVBQESA-N 0 0 197.621 1.783 10 0 ADAERN O[C@@H]1CC=Cc2cccnc21 5162130 169443130 /nfs/dbraw/zinc/44/31/30/169443130.db2.gz SYCPFEHYIQHTLA-MRVPVSSYSA-N 0 0 147.177 1.532 10 0 ADAERN O[C@@H](c1ccccc1)[C@H]1CCCO1 40243981 169443276 /nfs/dbraw/zinc/44/32/76/169443276.db2.gz SBPZYRHUASAHAV-MNOVXSKESA-N 0 0 178.231 1.899 10 0 ADAERN O[C@@H]1CCCOC12CCCCC2 196226243 169443552 /nfs/dbraw/zinc/44/35/52/169443552.db2.gz XAALKIYRHOCGNW-SECBINFHSA-N 0 0 170.252 1.861 10 0 ADAERN O[C@@H]1CCC2(CCCCC2)O1 95699087 169443649 /nfs/dbraw/zinc/44/36/49/169443649.db2.gz ZLWBKXGIKUOAAK-QMMMGPOBSA-N 0 0 156.225 1.818 10 0 ADAERN O[C@@H]1CCCC[C@@H]1NCC(F)(F)F 37490872 169443650 /nfs/dbraw/zinc/44/36/50/169443650.db2.gz QXNZBIGIEQHXBH-NKWVEPMBSA-N 0 0 197.200 1.442 10 0 ADAERN O[C@@H]1CCCC[C@@H]1c1cncnc1 53751464 169443657 /nfs/dbraw/zinc/44/36/57/169443657.db2.gz IZQCRODVEALFSB-NXEZZACHSA-N 0 0 178.235 1.495 10 0 in-vitro ADAERN O[C@@H]1CCCC[C@H]1OCC1CC1 44231903 169443891 /nfs/dbraw/zinc/44/38/91/169443891.db2.gz NBPICMLVOYDWAQ-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nc1nccs1 52007180 169444005 /nfs/dbraw/zinc/44/40/05/169444005.db2.gz HUVCIYLRFWHNOK-JGVFFNPUSA-N 0 0 198.291 1.859 10 0 ADAERN O[C@@H]1CCCC[C@H]1NCC(F)F 52014959 169444007 /nfs/dbraw/zinc/44/40/07/169444007.db2.gz NLNUFGMGNQICLN-RNFRBKRXSA-N 0 0 179.210 1.145 10 0 ADAERN O[C@@H]1CCCC[C@@H]1n1cccc1 52008850 169444100 /nfs/dbraw/zinc/44/41/00/169444100.db2.gz UYHXANMUXVCQNI-VHSXEESVSA-N 0 0 165.236 1.964 10 0 ADAERN O[C@@H]1CCCCC[C@@H]2O[C@@H]21 33986091 169444121 /nfs/dbraw/zinc/44/41/21/169444121.db2.gz BPTGWPMLXFRPHK-GJMOJQLCSA-N 0 0 142.198 1.079 10 0 ADAERN O[C@@H]1CCCCCCCC[C@H]1O 5133757 169444358 /nfs/dbraw/zinc/44/43/58/169444358.db2.gz NVGYZORHPOIGFP-NXEZZACHSA-N 0 0 172.268 1.843 10 0 ADAERN O[C@@H]1CCCCCS1 2509777 169444368 /nfs/dbraw/zinc/44/43/68/169444368.db2.gz FFLWHOZWDMVLKE-LURJTMIESA-N 0 0 132.228 1.612 10 0 in-vitro ADAERN O[C@@H]1CCCc2ocnc21 82410548 169444775 /nfs/dbraw/zinc/44/47/75/169444775.db2.gz UWNVZSOCLHEQQK-RXMQYKEDSA-N 0 0 139.154 1.044 10 0 ADAERN FCCNOC1CCCC1 136994675 343983310 /nfs/dbraw/zinc/98/33/10/343983310.db2.gz ZXUGFMMVOOOYSW-UHFFFAOYSA-N 0 0 147.193 1.420 10 0 ADAERN O[C@@H]1CCSC2(CCOCC2)C1 82391175 169445735 /nfs/dbraw/zinc/44/57/35/169445735.db2.gz JLFJOOSRCBGWDH-MRVPVSSYSA-N 0 0 188.292 1.424 10 0 ADAERN O[C@@H]1CCOC2=C1CCCC2 24633011 169445761 /nfs/dbraw/zinc/44/57/61/169445761.db2.gz KSYPMCLKKLJOTL-MRVPVSSYSA-N 0 0 154.209 1.596 10 0 ADAERN O[C@@H]1CCO[C@H](Cc2ccccc2)C1 35051149 169445786 /nfs/dbraw/zinc/44/57/86/169445786.db2.gz BMKHAXBXHPGZPN-VXGBXAGGSA-N 0 0 192.258 1.769 10 0 ADAERN O[C@@H]1CCO[C@H]2CCCC[C@@H]21 82406302 169445821 /nfs/dbraw/zinc/44/58/21/169445821.db2.gz VSFYAFAAVATPMP-HLTSFMKQSA-N 0 0 156.225 1.326 10 0 ADAERN O[C@@H]1CC[C@@H]2CSC[C@@H]2C1 76593233 169445826 /nfs/dbraw/zinc/44/58/26/169445826.db2.gz NRPFGTDXKKZMHO-GJMOJQLCSA-N 0 0 158.266 1.510 10 0 ADAERN O[C@@H]1CC[C@@H]2CSC[C@H]2C1 76593240 169445876 /nfs/dbraw/zinc/44/58/76/169445876.db2.gz NRPFGTDXKKZMHO-BWZBUEFSSA-N 0 0 158.266 1.510 10 0 ADAERN O[C@@H]1CC[C@@H](c2cccnc2)O1 5162000 169445902 /nfs/dbraw/zinc/44/59/02/169445902.db2.gz LHGVLZHIYVKZBT-IUCAKERBSA-N 0 0 165.192 1.252 10 0 in-vitro ADAERN O[C@@H]1CC[C@H](c2ccncc2)O1 104845560 169445959 /nfs/dbraw/zinc/44/59/59/169445959.db2.gz BVBSFGJKEYKJFF-BDAKNGLRSA-N 0 0 165.192 1.252 10 0 ADAERN O[C@@H]1CC[C@]2(CCCCO2)OC1 15121626 169445986 /nfs/dbraw/zinc/44/59/86/169445986.db2.gz PSXHJXYOZUWYQY-BDAKNGLRSA-N 0 0 172.224 1.055 10 0 ADAERN O[C@@H]1CC[C@H]2[C@@H]1[C@@H]1CCC[C@H]12 248074848 169446038 /nfs/dbraw/zinc/44/60/38/169446038.db2.gz ZJXDTPDTKHSVBH-IGORNWKESA-N 0 0 152.237 1.803 10 0 ADAERN O[C@H]1CC[C@H](Nc2nccs2)CC1 100279868 169446109 /nfs/dbraw/zinc/44/61/09/169446109.db2.gz FTBYXLCZJNPOIA-OCAPTIKFSA-N 0 0 198.291 1.859 10 0 ADAERN O[C@@H]1CCO[C@H](c2ccncc2)C1 69850745 169446165 /nfs/dbraw/zinc/44/61/65/169446165.db2.gz ASLJYFNQEPPXRZ-ZJUUUORDSA-N 0 0 179.219 1.294 10 0 ADAERN O[C@@H]1CCSC2(CCC2)C1 82405604 169446299 /nfs/dbraw/zinc/44/62/99/169446299.db2.gz FWHKCUFSSUDTAA-SSDOTTSWSA-N 0 0 158.266 1.797 10 0 ADAERN O[C@@H]1CC[C@@H]2[C@H]3CC[C@H](C3)[C@@H]12 38614478 169446383 /nfs/dbraw/zinc/44/63/83/169446383.db2.gz QIBGUXADVFUERT-VAPHQMJDSA-N 0 0 152.237 1.803 10 0 ADAERN O[C@@H]1CC[C@H](c2cccnc2)O1 5162009 169446399 /nfs/dbraw/zinc/44/63/99/169446399.db2.gz LHGVLZHIYVKZBT-BDAKNGLRSA-N 0 0 165.192 1.252 10 0 in-vitro ADAERN O[C@@H]1C[C@@H](c2ccccc2)CCO1 165020659 169446988 /nfs/dbraw/zinc/44/69/88/169446988.db2.gz BEMGHXANWUIWGQ-QWRGUYRKSA-N 0 0 178.231 1.899 10 0 ADAERN O[C@@H]1C[C@@H]1Sc1ccccc1 1618038 169447321 /nfs/dbraw/zinc/44/73/21/169447321.db2.gz JTUPWHGXVRCHAG-BDAKNGLRSA-N 0 0 166.245 1.912 10 0 ADAERN O[C@@H]1C[C@H]2CC[C@@]13CCC[C@@H]23 247959008 169447788 /nfs/dbraw/zinc/44/77/88/169447788.db2.gz PAYNACPQMAUXHA-UTINFBMNSA-N 0 0 152.237 1.948 10 0 ADAERN O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21 5134745 169447806 /nfs/dbraw/zinc/44/78/06/169447806.db2.gz FKZJBAXKHJIQDU-LOLPMWEVSA-N 0 0 152.237 1.803 10 0 ADAERN O[C@@H]1C[C@H]2C=CCC[C@H]2O1 255986215 169447814 /nfs/dbraw/zinc/44/78/14/169447814.db2.gz LSWTTYBLTMRSJN-PRJMDXOYSA-N 0 0 140.182 1.060 10 0 ADAERN O[C@@H]1OCCCC1(Cl)Cl 4262176 169447887 /nfs/dbraw/zinc/44/78/87/169447887.db2.gz HOAZEZNLXSODIR-SCSAIBSYSA-N 0 0 171.023 1.289 10 0 ADAERN O[C@@H]1c2ccccc2NC12CC2 82405066 169447991 /nfs/dbraw/zinc/44/79/91/169447991.db2.gz JGOPMYIBHMNHOW-SECBINFHSA-N 0 0 161.204 1.678 10 0 ADAERN O[C@H](Cn1cccn1)c1cccs1 26510494 169448314 /nfs/dbraw/zinc/44/83/14/169448314.db2.gz KGPLPYGKOFNWAE-MRVPVSSYSA-N 0 0 194.259 1.678 10 0 ADAERN O[C@H](CCC1OCCO1)c1ccco1 32009624 169448334 /nfs/dbraw/zinc/44/83/34/169448334.db2.gz ZQKHVPJJXBUSIX-MRVPVSSYSA-N 0 0 198.218 1.466 10 0 ADAERN O[C@H](CF)c1cccnc1F 39088791 169448356 /nfs/dbraw/zinc/44/83/56/169448356.db2.gz LTPBAFGOGUNYDC-ZCFIWIBFSA-N 0 0 159.135 1.224 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)c1cccnc1 37761668 169448395 /nfs/dbraw/zinc/44/83/95/169448395.db2.gz MTVLCZNFGSIBTK-WDEREUQCSA-N 0 0 193.246 1.684 10 0 ADAERN O[C@H](CNc1ccccc1)C1CC1 55032285 169448716 /nfs/dbraw/zinc/44/87/16/169448716.db2.gz SNDQHYUQPSSIDD-LLVKDONJSA-N 0 0 177.247 1.869 10 0 ADAERN O[C@H](CC(F)(F)F)C1CC1 70735881 169448832 /nfs/dbraw/zinc/44/88/32/169448832.db2.gz MCDRQLJYLHPXBU-RXMQYKEDSA-N 0 0 154.131 1.710 10 0 ADAERN O[C@H](Cn1cccn1)c1ccco1 26510477 169448844 /nfs/dbraw/zinc/44/88/44/169448844.db2.gz KCTOHELJIBGKOY-MRVPVSSYSA-N 0 0 178.191 1.210 10 0 ADAERN O[C@H](C1CC1)[C@@H]1CCCOC1 17764441 169449050 /nfs/dbraw/zinc/44/90/50/169449050.db2.gz UCNMSVCROUNKOZ-RKDXNWHRSA-N 0 0 156.225 1.184 10 0 ADAERN O[C@H](C1=CCCC1)[C@@H]1CCOC1 50329082 169449060 /nfs/dbraw/zinc/44/90/60/169449060.db2.gz QIUWNBJSYCGIOQ-NXEZZACHSA-N 0 0 168.236 1.494 10 0 ADAERN O[C@H](Cc1ncc[nH]1)c1ccsc1 40261607 169449092 /nfs/dbraw/zinc/44/90/92/169449092.db2.gz HPZBQOBWABEYJO-MRVPVSSYSA-N 0 0 194.259 1.747 10 0 ADAERN O[C@H]1CC=Cc2cccnc21 5162136 169449296 /nfs/dbraw/zinc/44/92/96/169449296.db2.gz SYCPFEHYIQHTLA-QMMMGPOBSA-N 0 0 147.177 1.532 10 0 ADAERN O[C@H]1C=C(Cl)c2ccccc2O1 34076056 169449303 /nfs/dbraw/zinc/44/93/03/169449303.db2.gz RHDSFFCRQBEKRV-SECBINFHSA-N 0 0 182.606 1.977 10 0 ADAERN O[C@H](c1ccccc1)c1ccncn1 38810516 169449360 /nfs/dbraw/zinc/44/93/60/169449360.db2.gz JZXUAUQTYUKCHI-LLVKDONJSA-N 0 0 186.214 1.558 10 0 ADAERN O[C@H](c1ccccc1)c1ccnnc1 39422942 169449463 /nfs/dbraw/zinc/44/94/63/169449463.db2.gz VVELBHSXESOAMK-LLVKDONJSA-N 0 0 186.214 1.558 10 0 ADAERN O[C@H](c1ncco1)N1CCCCC1 222913899 169449485 /nfs/dbraw/zinc/44/94/85/169449485.db2.gz JJXBJSHGAFHFOC-SECBINFHSA-N 0 0 182.223 1.151 10 0 ADAERN O[C@H](c1cnccn1)C1CCCC1 37465688 169449546 /nfs/dbraw/zinc/44/95/46/169449546.db2.gz QYEBWJIVYKBAFO-JTQLQIEISA-N 0 0 178.235 1.700 10 0 ADAERN O[C@H](c1cccc(F)c1)[C@H]1CO1 223624714 169449745 /nfs/dbraw/zinc/44/97/45/169449745.db2.gz ZCEXQDNPEBPIIM-RKDXNWHRSA-N 0 0 168.167 1.258 10 0 ADAERN O[C@H]1C=CC=C(c2ccccc2)[C@@H]1O 403272 169449761 /nfs/dbraw/zinc/44/97/61/169449761.db2.gz UMAHGMFKBJHGME-RYUDHWBXSA-N 0 0 188.226 1.362 10 0 in-vitro ADAERN O[C@H]1C/C(=C/c2ccccc2)CO1 238723354 169449794 /nfs/dbraw/zinc/44/97/94/169449794.db2.gz ZWACNQAOQPARMB-SDKXAQGSSA-N 0 0 176.215 1.809 10 0 ADAERN O[C@H](c1ccccc1)[C@H]1CCCO1 40243982 169449817 /nfs/dbraw/zinc/44/98/17/169449817.db2.gz SBPZYRHUASAHAV-GHMZBOCLSA-N 0 0 178.231 1.899 10 0 ADAERN O[C@H]1CCCC12CCC[C@@H]2O 39931 169449853 /nfs/dbraw/zinc/44/98/53/169449853.db2.gz ACIVJWAOSTYYEP-JVIMKECRSA-N 0 0 156.225 1.062 10 0 ADAERN O[C@H]1C=Cc2ccc(Cl)nc2[C@@H]1O 95935179 169449876 /nfs/dbraw/zinc/44/98/76/169449876.db2.gz IFNXHWSNYLLEOV-IMTBSYHQSA-N 0 0 197.621 1.156 10 0 ADAERN O[C@H]1CC(F)(F)[C@]1(F)Cl 34324417 169449922 /nfs/dbraw/zinc/44/99/22/169449922.db2.gz DAKIJMUFJSCSMW-OKKQSCSOSA-N 0 0 160.522 1.291 10 0 ADAERN O[C@H](c1ccccc1)[C@H]1CO1 17788287 169449947 /nfs/dbraw/zinc/44/99/47/169449947.db2.gz QHUCJYPNJYZEOQ-RKDXNWHRSA-N 0 0 150.177 1.119 10 0 ADAERN O[C@H](c1ccco1)C1CC1 32005429 169449957 /nfs/dbraw/zinc/44/99/57/169449957.db2.gz TWKPYXOJZIRISI-QMMMGPOBSA-N 0 0 138.166 1.723 10 0 ADAERN O[C@H](c1ccccc1)c1cnco1 34449251 169449975 /nfs/dbraw/zinc/44/99/75/169449975.db2.gz VWTNQCGHPGAAED-SNVBAGLBSA-N 0 0 175.187 1.756 10 0 ADAERN O[C@H]1CC2(COC2)Oc2ccccc21 71766869 169449979 /nfs/dbraw/zinc/44/99/79/169449979.db2.gz JLURKHCRYKLNED-VIFPVBQESA-N 0 0 192.214 1.272 10 0 ADAERN O[C@H]1C=C[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 35822485 169450081 /nfs/dbraw/zinc/45/00/81/169450081.db2.gz SIRXYHBXRXZGJQ-MBGOZMDMSA-N 0 0 148.205 1.355 10 0 ADAERN O[C@H]1CCC2(CCCCC2)O1 95699086 169450091 /nfs/dbraw/zinc/45/00/91/169450091.db2.gz ZLWBKXGIKUOAAK-MRVPVSSYSA-N 0 0 156.225 1.818 10 0 ADAERN O[C@H](c1ccccc1)[C@@H]1CCCO1 40243980 169450097 /nfs/dbraw/zinc/45/00/97/169450097.db2.gz SBPZYRHUASAHAV-WDEREUQCSA-N 0 0 178.231 1.899 10 0 ADAERN O[C@H]1CCCCCCO1 34087526 169450216 /nfs/dbraw/zinc/45/02/16/169450216.db2.gz SMYREFDDLSTNKQ-SSDOTTSWSA-N 0 0 130.187 1.286 10 0 ADAERN O[C@H]1CCC[C@@H](F)C1 76570933 169450837 /nfs/dbraw/zinc/45/08/37/169450837.db2.gz XVHYGZFXBBUDTA-RITPCOANSA-N 0 0 118.151 1.259 10 0 ADAERN O[C@H]1CCCC[C@@H](O)CC1 5133908 169450945 /nfs/dbraw/zinc/45/09/45/169450945.db2.gz BIYRBPAUTLBNTB-OCAPTIKFSA-N 0 0 144.214 1.062 10 0 ADAERN O[C@H]1CCCC[C@H]1NCC(F)F 52014955 169451101 /nfs/dbraw/zinc/45/11/01/169451101.db2.gz NLNUFGMGNQICLN-RQJHMYQMSA-N 0 0 179.210 1.145 10 0 ADAERN O[C@H]1CCCC[C@H]1OCC(F)(F)F 44192181 169451190 /nfs/dbraw/zinc/45/11/90/169451190.db2.gz XCEQVLKFSOQVJS-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN O[C@H]1CCCC[C@@]1(O)c1ccccc1 403255 169451280 /nfs/dbraw/zinc/45/12/80/169451280.db2.gz QHNHEYDAIICUDL-NWDGAFQWSA-N 0 0 192.258 1.809 10 0 ADAERN O[C@H]1CCCO[C@@]12CCCCO2 100522461 169451309 /nfs/dbraw/zinc/45/13/09/169451309.db2.gz NCJNLIBWMBFVAI-IUCAKERBSA-N 0 0 172.224 1.055 10 0 ADAERN O[C@H]1CCCCCS1 6021932 169451337 /nfs/dbraw/zinc/45/13/37/169451337.db2.gz FFLWHOZWDMVLKE-ZCFIWIBFSA-N 0 0 132.228 1.612 10 0 in-vitro ADAERN O[C@H]1CCCC[C@H]1Nc1ncccn1 52007128 169451444 /nfs/dbraw/zinc/45/14/44/169451444.db2.gz KORPQDYNFLUIAU-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@H]1CCCC[C@@H]1OC1CCC1 50521213 169451486 /nfs/dbraw/zinc/45/14/86/169451486.db2.gz BBHYTTXGKCFXEQ-UWVGGRQHSA-N 0 0 170.252 1.859 10 0 ADAERN O[C@H]1CCCCCCCO1 165553816 169451511 /nfs/dbraw/zinc/45/15/11/169451511.db2.gz IRJSJMHKZSVVPT-MRVPVSSYSA-N 0 0 144.214 1.676 10 0 ADAERN O[C@H]1CCCC[C@H]2C[C@H]2C1 5566911 169451513 /nfs/dbraw/zinc/45/15/13/169451513.db2.gz QJMJBUPHCZLSSU-CIUDSAMLSA-N 0 0 140.226 1.948 10 0 ADAERN O[C@H]1CCC[C@@H]1Oc1ccccc1 37695676 169451621 /nfs/dbraw/zinc/45/16/21/169451621.db2.gz AXHUIGRWVHNKNK-QWRGUYRKSA-N 0 0 178.231 1.979 10 0 ADAERN O[C@H]1CCC[C@H]1OCC1CC1 44232211 169451745 /nfs/dbraw/zinc/45/17/45/169451745.db2.gz GJCKGOGQYROLQL-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN O[C@H]1CCN2c3ccccc3CC[C@@H]12 82390830 169451754 /nfs/dbraw/zinc/45/17/54/169451754.db2.gz XOECLAIZUVAIOA-RYUDHWBXSA-N 0 0 189.258 1.572 10 0 ADAERN O[C@H]1CCN(c2cccc(F)c2)C1 59786385 169451955 /nfs/dbraw/zinc/45/19/55/169451955.db2.gz YZSNQEGPANCTAL-JTQLQIEISA-N 0 0 181.210 1.397 10 0 ADAERN O[C@H]1CCN(Cc2ccccc2)O1 196189711 169452174 /nfs/dbraw/zinc/45/21/74/169452174.db2.gz GYZADQFNBOXZGD-SNVBAGLBSA-N 0 0 179.219 1.142 10 0 ADAERN O[C@H]1CCC[C@@H]1OCC(F)(F)F 44192416 169452291 /nfs/dbraw/zinc/45/22/91/169452291.db2.gz HTPCQGPDRKVYRK-WDSKDSINSA-N 0 0 184.157 1.479 10 0 ADAERN O[C@H]1CCC[C@@H]2CCC[C@H]12 147514933 169452399 /nfs/dbraw/zinc/45/23/99/169452399.db2.gz RMRXFRZQQUJSED-CIUDSAMLSA-N 0 0 140.226 1.948 10 0 ADAERN O[C@H]1CCCc2ncsc21 50330955 169452849 /nfs/dbraw/zinc/45/28/49/169452849.db2.gz RPPWDWJAMDYUHN-LURJTMIESA-N 0 0 155.222 1.513 10 0 ADAERN O[C@H]1CC[C@@H](c2ccncc2)O1 104845547 169452996 /nfs/dbraw/zinc/45/29/96/169452996.db2.gz BVBSFGJKEYKJFF-DTWKUNHWSA-N 0 0 165.192 1.252 10 0 ADAERN O[C@H]1CC[C@H]2[C@H]3CC[C@H](C3)[C@@H]12 31362380 169453201 /nfs/dbraw/zinc/45/32/01/169453201.db2.gz QIBGUXADVFUERT-CVPUBMOQSA-N 0 0 152.237 1.803 10 0 ADAERN O[C@H]1CCc2ccc3c(c21)CCO3 95080163 169453271 /nfs/dbraw/zinc/45/32/71/169453271.db2.gz ZLRZRPVAJJZTEI-VIFPVBQESA-N 0 0 176.215 1.601 10 0 ADAERN O[C@H]1CC[C@H](c2ccco2)C1 58517603 169453275 /nfs/dbraw/zinc/45/32/75/169453275.db2.gz HYNPJYBJWKTELD-YUMQZZPRSA-N 0 0 152.193 1.908 10 0 ADAERN O[C@H]1CCc2cscc21 82410198 169453499 /nfs/dbraw/zinc/45/34/99/169453499.db2.gz ARFCYEYYLJMFGZ-ZETCQYMHSA-N 0 0 140.207 1.728 10 0 ADAERN O[C@H]1CC[C@H]2CC[C@@H]2C1 76571420 169453657 /nfs/dbraw/zinc/45/36/57/169453657.db2.gz WKNYPGYKMKZIEY-PRJMDXOYSA-N 0 0 126.199 1.557 10 0 ADAERN O[C@H]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 26893979 169453757 /nfs/dbraw/zinc/45/37/57/169453757.db2.gz OIXGILBUABDWRY-IMSYWVGJSA-N 0 0 170.252 1.308 10 0 ADAERN O[C@H]1CC[C@@H](c2cccnc2)O1 5161998 169453860 /nfs/dbraw/zinc/45/38/60/169453860.db2.gz LHGVLZHIYVKZBT-DTWKUNHWSA-N 0 0 165.192 1.252 10 0 in-vitro ADAERN O[C@H]1CSCc2occc21 39202325 169454531 /nfs/dbraw/zinc/45/45/31/169454531.db2.gz VPHXJQVZWYEQIO-LURJTMIESA-N 0 0 156.206 1.560 10 0 ADAERN O[C@H]1Nc2ccccc2S1 45261339 169455185 /nfs/dbraw/zinc/45/51/85/169455185.db2.gz MVWOCGJKKHUIKM-SSDOTTSWSA-N 0 0 153.206 1.480 10 0 ADAERN O[C@H]1OCCCC1(Cl)Cl 4262177 169455203 /nfs/dbraw/zinc/45/52/03/169455203.db2.gz HOAZEZNLXSODIR-BYPYZUCNSA-N 0 0 171.023 1.289 10 0 ADAERN O[C@H]1C[C@H]2CC[C@@]13CCC[C@@H]23 247959011 169455204 /nfs/dbraw/zinc/45/52/04/169455204.db2.gz PAYNACPQMAUXHA-XFWSIPNHSA-N 0 0 152.237 1.948 10 0 ADAERN O[C@H]1c2cccc3cccc(c23)[C@H]1O 13548191 169455277 /nfs/dbraw/zinc/45/52/77/169455277.db2.gz ARGFAPRYULRPAN-TXEJJXNPSA-N 0 0 186.210 1.920 10 0 ADAERN O[C@H]1OCC[C@H](c2ccccc2)O1 39120295 169455424 /nfs/dbraw/zinc/45/54/24/169455424.db2.gz FTOUBDRVUUQBFH-ZJUUUORDSA-N 0 0 180.203 1.441 10 0 ADAERN O[C@H]1C[C@H]2CC[C@@]13CCC[C@H]23 247959006 169455425 /nfs/dbraw/zinc/45/54/25/169455425.db2.gz PAYNACPQMAUXHA-DOLQZWNJSA-N 0 0 152.237 1.948 10 0 ADAERN O[C@H]1[C@@H]2CC=C[C@H]1CCC2 17191528 169455433 /nfs/dbraw/zinc/45/54/33/169455433.db2.gz PGLXEGLAJQKZSQ-DJLDLDEBSA-N 0 0 138.210 1.724 10 0 ADAERN O[C@H]1c2ccsc2CC[C@H]1O 39293996 169455630 /nfs/dbraw/zinc/45/56/30/169455630.db2.gz MYHUEWMYTJJSGI-SVRRBLITSA-N 0 0 170.233 1.089 10 0 ADAERN Oc1ccc(-c2cncnc2)nc1 72192991 169456103 /nfs/dbraw/zinc/45/61/03/169456103.db2.gz JBRITQSGUZPFJX-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN O=c1cc([C@H]2CCCC[NH2+]2)o[n-]1 39113286 169456458 /nfs/dbraw/zinc/45/64/58/169456458.db2.gz QANDXUNRRBKHDU-ZCFIWIBFSA-N 0 0 168.196 1.195 10 0 ADAERN O=c1ccc(-c2ccc(F)cn2)n[nH]1 72204670 169456684 /nfs/dbraw/zinc/45/66/84/169456684.db2.gz YSMBPNWCTIDFOR-UHFFFAOYSA-N 0 0 191.165 1.383 10 0 ADAERN O=c1cc(Cc2ccccc2)[nH][nH]1 39116547 169456860 /nfs/dbraw/zinc/45/68/60/169456860.db2.gz VGFQQHSLHWYJFB-UHFFFAOYSA-N 0 0 174.203 1.706 10 0 ADAERN O=C1C=C(Cl)C(=O)CN1 95773633 169456903 /nfs/dbraw/zinc/45/69/03/169456903.db2.gz PRRBONVVWMVRNJ-UHFFFAOYSA-N 0 0 145.545 1.146 10 0 ADAERN Oc1ccc(-c2c[nH]cn2)cc1 39233424 169457075 /nfs/dbraw/zinc/45/70/75/169457075.db2.gz FUJXZMIUZAVJPP-UHFFFAOYSA-N 0 0 160.176 1.782 10 0 ADAERN Oc1ccc(-c2ccncc2)nc1 44121794 169457162 /nfs/dbraw/zinc/45/71/62/169457162.db2.gz XBRIRQQOXQOJLD-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN Oc1ccc(OCn2ccnn2)cc1 59363015 169457470 /nfs/dbraw/zinc/45/74/70/169457470.db2.gz GVMUHSDQHXXBME-UHFFFAOYSA-N 0 0 191.190 1.020 10 0 ADAERN Oc1ccc2c(O)cc(O)cc2c1 14612275 169457819 /nfs/dbraw/zinc/45/78/19/169457819.db2.gz YZEMVBNZFGKQIE-UHFFFAOYSA-N 0 0 176.171 1.957 10 0 in-vitro ADAERN O=C1Cc2cc(O)ccc2N1 2146679 169457844 /nfs/dbraw/zinc/45/78/44/169457844.db2.gz WCMNKJSRZUKXDL-UHFFFAOYSA-N 0 0 149.149 1.579 10 0 ADAERN Oc1ccc2c(c1)C=CCO2 39647763 169457875 /nfs/dbraw/zinc/45/78/75/169457875.db2.gz NAHHIXKSGGSPOL-UHFFFAOYSA-N 0 0 148.161 1.798 10 0 ADAERN Oc1ccc2c(c1)C=CCN2 34453135 169457938 /nfs/dbraw/zinc/45/79/38/169457938.db2.gz XIYBHRFMBIVRAM-UHFFFAOYSA-N 0 0 147.177 1.831 10 0 ADAERN O=C1Cc2ccc(O)cc2N1 101938105 169458047 /nfs/dbraw/zinc/45/80/47/169458047.db2.gz OTKXXJYYVZSYHT-UHFFFAOYSA-N 0 0 149.149 1.579 10 0 ADAERN Oc1ccc2c(c1)C=CC2 18551363 169458054 /nfs/dbraw/zinc/45/80/54/169458054.db2.gz BMRGTCJDJUHASV-UHFFFAOYSA-N 0 0 132.162 1.962 10 0 ADAERN Oc1ccc(OCc2ncon2)cc1 36896698 169458148 /nfs/dbraw/zinc/45/81/48/169458148.db2.gz RDINJMFBXDQBGZ-UHFFFAOYSA-N 0 0 192.174 1.354 10 0 ADAERN Oc1ccc(OC[C@H]2CCOC2)cc1 49689641 169458334 /nfs/dbraw/zinc/45/83/34/169458334.db2.gz SZDDNVCWMBNPNN-VIFPVBQESA-N 0 0 194.230 1.808 10 0 ADAERN Oc1ccc2c(c1)-c1n[nH]cc1CC2 28219057 169458383 /nfs/dbraw/zinc/45/83/83/169458383.db2.gz KKXWHQKRTLETNI-UHFFFAOYSA-N 0 0 186.214 1.881 10 0 ADAERN Oc1cccc(-c2ncon2)c1 41042311 169458480 /nfs/dbraw/zinc/45/84/80/169458480.db2.gz MBZQKPKUYCYQOQ-UHFFFAOYSA-N 0 0 162.148 1.442 10 0 ADAERN O=c1cccc(-c2cc[nH]c2)[nH]1 108246041 169458548 /nfs/dbraw/zinc/45/85/48/169458548.db2.gz RFNVLABWAWUMOI-UHFFFAOYSA-N 0 0 160.176 1.782 10 0 ADAERN Oc1cccc(-c2ccncn2)c1 75562215 169458619 /nfs/dbraw/zinc/45/86/19/169458619.db2.gz ZSISGOCYMLMSCT-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN Oc1ccccc1Nc1cncnc1 82714668 169458979 /nfs/dbraw/zinc/45/89/79/169458979.db2.gz RNFWVYJOHAYFDC-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN Oc1cccc2cc3c(nc12)OCC3 32223100 169459161 /nfs/dbraw/zinc/45/91/61/169459161.db2.gz DDBNAAWOZVHFSY-UHFFFAOYSA-N 0 0 187.198 1.875 10 0 ADAERN Oc1cccc2c1[C@H](O)CC[C@H]2O 62719046 169459269 /nfs/dbraw/zinc/45/92/69/169459269.db2.gz UCOGFVYGQNGFRD-VXNVDRBHSA-N 0 0 180.203 1.253 10 0 ADAERN Oc1cccc2c1[C@H](O)CC2 75538705 169459336 /nfs/dbraw/zinc/45/93/36/169459336.db2.gz LOAOFROQFAJMEY-MRVPVSSYSA-N 0 0 150.177 1.372 10 0 ADAERN Oc1cccc2c1SCC[C@@H]2O 34601331 169459413 /nfs/dbraw/zinc/45/94/13/169459413.db2.gz YUZVRWYSCAVAPY-ZETCQYMHSA-N 0 0 182.244 1.921 10 0 ADAERN Oc1ccccc1-c1c[nH]nn1 34027363 169459463 /nfs/dbraw/zinc/45/94/63/169459463.db2.gz CMKIPUDSZBGVQI-UHFFFAOYSA-N 0 0 161.164 1.177 10 0 ADAERN Oc1cccnc1-c1ccccn1 75562203 169459518 /nfs/dbraw/zinc/45/95/18/169459518.db2.gz MWPGSUYGVCNVKP-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN Oc1cccc2c1[C@@H](O)CCC2 34497005 169459661 /nfs/dbraw/zinc/45/96/61/169459661.db2.gz QVJBDLAPPUAWKW-VIFPVBQESA-N 0 0 164.204 1.762 10 0 ADAERN Oc1ccccc1Oc1cnccn1 37674559 169459676 /nfs/dbraw/zinc/45/96/76/169459676.db2.gz NPYVLUYPXFAYPV-UHFFFAOYSA-N 0 0 188.186 1.975 10 0 ADAERN Oc1cccnc1C1CC1 39051024 169459693 /nfs/dbraw/zinc/45/96/93/169459693.db2.gz KNHZZCUQEXIPFY-UHFFFAOYSA-N 0 0 135.166 1.665 10 0 ADAERN Oc1cccc2c1[C@H](O)CCC2 34497004 169459997 /nfs/dbraw/zinc/45/99/97/169459997.db2.gz QVJBDLAPPUAWKW-SECBINFHSA-N 0 0 164.204 1.762 10 0 ADAERN Oc1cccnc1-n1cccc1 1519953 169460012 /nfs/dbraw/zinc/46/00/12/169460012.db2.gz QSOYMKHARYDZGH-UHFFFAOYSA-N 0 0 160.176 1.578 10 0 ADAERN Oc1cncc(-c2ccncc2)c1 47213812 169460178 /nfs/dbraw/zinc/46/01/78/169460178.db2.gz ZLMHRFUAEOHHFO-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN O=C1CN=C2C=C(Cl)C=CN12 89202122 169460200 /nfs/dbraw/zinc/46/02/00/169460200.db2.gz ALTVCMBZIUIFCD-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN Oc1cnc(C2CCC2)nc1 72192041 169460437 /nfs/dbraw/zinc/46/04/37/169460437.db2.gz NMMIBAOJGFNHIF-UHFFFAOYSA-N 0 0 150.181 1.450 10 0 ADAERN O=C1CSC(c2cccnc2)=N1 44121340 169460519 /nfs/dbraw/zinc/46/05/19/169460519.db2.gz LOJZZQOFFDVKJR-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN O=c1c(O)c[nH]c2c(O)ccc(O)c12 14684905 169460690 /nfs/dbraw/zinc/46/06/90/169460690.db2.gz WXBCVQJUZIAXDB-UHFFFAOYSA-N 0 0 193.158 1.057 10 0 ADAERN O=c1cc[nH]c(NCc2ccc[nH]2)c1 83341436 169460905 /nfs/dbraw/zinc/46/09/05/169460905.db2.gz FGGAJCUXRCITFM-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN O=C1CSC(Br)=N1 103628235 169461250 /nfs/dbraw/zinc/46/12/50/169461250.db2.gz BOGYEQZVQWWOLF-UHFFFAOYSA-N 0 0 180.026 1.611 10 0 ADAERN Oc1cncc(N2CCCC2)c1 72192784 169461261 /nfs/dbraw/zinc/46/12/61/169461261.db2.gz HPGJREYLDNXSST-UHFFFAOYSA-N 0 0 164.208 1.387 10 0 ADAERN O=c1cncc2[nH]cccc1-2 6513184 169461403 /nfs/dbraw/zinc/46/14/03/169461403.db2.gz RYUOOMJLEWLHLO-UHFFFAOYSA-N 0 0 146.149 1.335 10 0 ADAERN S=C1SC[C@@H]2CSCCN12 3636384 169461864 /nfs/dbraw/zinc/46/18/64/169461864.db2.gz GKYPVZALDFNVAA-YFKPBYRVSA-N 0 0 191.346 1.436 10 0 ADAERN S=CNc1ccccn1 104582309 169462217 /nfs/dbraw/zinc/46/22/17/169462217.db2.gz DXPZJOOTAPNPFF-UHFFFAOYSA-N 0 0 138.195 1.451 10 0 ADAERN S=C(S)c1cc[nH]c1 90744704 169462295 /nfs/dbraw/zinc/46/22/95/169462295.db2.gz JPJUAPZYWLYBST-UHFFFAOYSA-N 0 0 143.236 1.620 10 0 ADAERN S=C(NCC1CC1)c1ccncc1 97673657 169462460 /nfs/dbraw/zinc/46/24/60/169462460.db2.gz SUHZAFYFXKNYQP-UHFFFAOYSA-N 0 0 192.287 1.757 10 0 ADAERN S=C1CCN(Cc2ccccc2)N1 15773411 169462490 /nfs/dbraw/zinc/46/24/90/169462490.db2.gz LQVOSVMNQINPKM-UHFFFAOYSA-N 0 0 192.287 1.724 10 0 ADAERN S=C1NCCCN1C1CCCCC1 4323654 169462570 /nfs/dbraw/zinc/46/25/70/169462570.db2.gz FESOMPBRLQGIDI-UHFFFAOYSA-N 0 0 198.335 1.899 10 0 ADAERN S=c1[nH]ncn1CCc1ccco1 42591691 169462837 /nfs/dbraw/zinc/46/28/37/169462837.db2.gz OOGQKHOVUIERQA-UHFFFAOYSA-N 0 0 195.247 1.776 10 0 ADAERN S=Nc1ccccn1 38433628 169462977 /nfs/dbraw/zinc/46/29/77/169462977.db2.gz DXSAKQUYDKJCGJ-UHFFFAOYSA-N 0 0 124.168 1.444 10 0 ADAERN S=c1ncnc2[nH]snc1-2 1677355 169463109 /nfs/dbraw/zinc/46/31/09/169463109.db2.gz AYQXBPKMHYDIKK-UHFFFAOYSA-N 0 0 170.222 1.095 10 0 ADAERN S=c1[nH]ccn1C[C@H]1CCCOC1 44982150 169463160 /nfs/dbraw/zinc/46/31/60/169463160.db2.gz YQQBHJDIUTUVAH-MRVPVSSYSA-N 0 0 198.291 1.972 10 0 ADAERN S=C1N=NC(c2ccsc2)N1 36948361 169463784 /nfs/dbraw/zinc/46/37/84/169463784.db2.gz BLJHFPBLROCHPT-UHFFFAOYSA-N 0 0 183.261 1.822 10 0 ADAERN S=C1N=NC(CC2CC2)N1 49731382 169463792 /nfs/dbraw/zinc/46/37/92/169463792.db2.gz MUEHDUAUOPFETB-UHFFFAOYSA-N 0 0 155.226 1.046 10 0 ADAERN S=C1N=NCN1Cc1ccccn1 20583493 169463891 /nfs/dbraw/zinc/46/38/91/169463891.db2.gz PMNDTLQFJGNCFV-UHFFFAOYSA-N 0 0 192.247 1.010 10 0 ADAERN COc1ccc(C)cc1 34827504 169468287 /nfs/dbraw/zinc/46/82/87/169468287.db2.gz VSBZJPJCXZPFIH-UHFFFAOYSA-N 0 0 121.159 1.877 10 0 ADAERN C#[N+]c1ccccc1CC(=O)[O-] 106566145 169468882 /nfs/dbraw/zinc/46/88/82/169468882.db2.gz ADCWMGBNWHUNRX-UHFFFAOYSA-N 0 0 161.160 1.864 10 0 ADAERN c1cc(-c2noc(C3CC3)n2)no1 307704440 169469816 /nfs/dbraw/zinc/46/98/16/169469816.db2.gz WTYBSDXZPRRCCS-UHFFFAOYSA-N 0 0 177.163 1.602 10 0 ADAERN c1cc(-c2ncon2)ccn1 28248095 169469826 /nfs/dbraw/zinc/46/98/26/169469826.db2.gz DQCRWOZLVDQXMX-UHFFFAOYSA-N 0 0 147.137 1.132 10 0 ADAERN c1cc(-c2cnoc2)ccn1 4228089 169469831 /nfs/dbraw/zinc/46/98/31/169469831.db2.gz ODACNUQYASNCRB-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN c1cc(-c2ncno2)ccn1 39051199 169469936 /nfs/dbraw/zinc/46/99/36/169469936.db2.gz YBZAPCTXZPUFPS-UHFFFAOYSA-N 0 0 147.137 1.132 10 0 ADAERN c1cnc2c(ccc3n[nH]cc32)n1 100217853 169470035 /nfs/dbraw/zinc/47/00/35/169470035.db2.gz JDTWRMODUKFHDU-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN c1cc(N2CCOCC2)cs1 196094087 169470204 /nfs/dbraw/zinc/47/02/04/169470204.db2.gz QHAAOZIDNCAVRO-UHFFFAOYSA-N 0 0 169.249 1.585 10 0 ADAERN c1cc(CSC2CCOCC2)n[nH]1 306342026 169470343 /nfs/dbraw/zinc/47/03/43/169470343.db2.gz YQOGBTLFILHTJZ-UHFFFAOYSA-N 0 0 198.291 1.822 10 0 ADAERN c1cc(NC2CCOCC2)ncn1 40863155 169470453 /nfs/dbraw/zinc/47/04/53/169470453.db2.gz QBJOAVCHBGGVRA-UHFFFAOYSA-N 0 0 179.223 1.068 10 0 ADAERN c1cc(NC2CCCC2)ncn1 40862885 169470506 /nfs/dbraw/zinc/47/05/06/169470506.db2.gz REOWQPTXUVUSEG-UHFFFAOYSA-N 0 0 163.224 1.831 10 0 ADAERN c1cc(CNc2cncnc2)ccn1 82711451 169470571 /nfs/dbraw/zinc/47/05/71/169470571.db2.gz SIDKQEAUEXYZFA-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN c1cc(NCC[C@@H]2CCCO2)ncn1 40863324 169470617 /nfs/dbraw/zinc/47/06/17/169470617.db2.gz MTVOQDJQIAMGRH-VIFPVBQESA-N 0 0 193.250 1.458 10 0 ADAERN c1cc(NCC2CC2)ncn1 40862895 169471042 /nfs/dbraw/zinc/47/10/42/169471042.db2.gz BWLDYYJNRQRYFH-UHFFFAOYSA-N 0 0 149.197 1.299 10 0 ADAERN c1cc2[nH]cc3c2nc1C3 100248009 169471798 /nfs/dbraw/zinc/47/17/98/169471798.db2.gz VZBGFOYKWHBXEF-UHFFFAOYSA-N 0 0 130.150 1.467 10 0 ADAERN c1cc2c(cc1-n1cnnc1)NCC2 82655656 169472014 /nfs/dbraw/zinc/47/20/14/169472014.db2.gz WGLBDOUAAQXPFD-UHFFFAOYSA-N 0 0 186.218 1.235 10 0 ADAERN c1cc2n[nH]cc2cc1NC1COC1 76633476 169472107 /nfs/dbraw/zinc/47/21/07/169472107.db2.gz MZJNJHXPSMFFCD-UHFFFAOYSA-N 0 0 189.218 1.374 10 0 ADAERN c1cc([C@@H]2COCO2)ccn1 196263307 169472414 /nfs/dbraw/zinc/47/24/14/169472414.db2.gz BIXQHIKKGBTASB-QMMMGPOBSA-N 0 0 151.165 1.127 10 0 ADAERN c1cc2c3ccnn3ccn2c1 90755324 169472817 /nfs/dbraw/zinc/47/28/17/169472817.db2.gz XKKBUOVBKHZJNZ-UHFFFAOYSA-N 0 0 157.176 1.587 10 0 ADAERN c1cc2c(cn1)CCOC2 24190120 169472981 /nfs/dbraw/zinc/47/29/81/169472981.db2.gz IBUQIRGOEBUDFB-UHFFFAOYSA-N 0 0 135.166 1.154 10 0 ADAERN c1cc2c(cc1[C@H]1CN1)OCO2 39206143 169472983 /nfs/dbraw/zinc/47/29/83/169472983.db2.gz WITVCABNNHHUPC-SSDOTTSWSA-N 0 0 163.176 1.060 10 0 ADAERN c1cc2c(cn1)cnc1c[nH]nc12 89219826 169473238 /nfs/dbraw/zinc/47/32/38/169473238.db2.gz NYWKFGRXXYPNIE-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN c1cc2c(s1)NCCCN2 76590242 169473240 /nfs/dbraw/zinc/47/32/40/169473240.db2.gz GIVHYXJXJNMUQP-UHFFFAOYSA-N 0 0 154.238 1.976 10 0 ADAERN c1cc2c3c[nH]c2c(n1)CC3 100188324 169473412 /nfs/dbraw/zinc/47/34/12/169473412.db2.gz NQNWJKWMKTZZLW-UHFFFAOYSA-N 0 0 144.177 1.662 10 0 ADAERN c1cc2c3c(ncn2c1)N=NC3 39081122 169473666 /nfs/dbraw/zinc/47/36/66/169473666.db2.gz ZLVVXRKBQTZJBV-UHFFFAOYSA-N 0 0 158.164 1.932 10 0 ADAERN c1cc2c3occ(c3n1)CC2 100136711 169473690 /nfs/dbraw/zinc/47/36/90/169473690.db2.gz LBRHPROOXJOYFF-UHFFFAOYSA-N 0 0 145.161 1.926 10 0 ADAERN c1cc2c(cn1)OCS2 90755521 169473770 /nfs/dbraw/zinc/47/37/70/169473770.db2.gz IAOOAWQGZFCKTR-UHFFFAOYSA-N 0 0 139.179 1.524 10 0 ADAERN c1cc2ncncc2cn1 39053863 169473901 /nfs/dbraw/zinc/47/39/01/169473901.db2.gz PLZDHJUUEGCXJH-UHFFFAOYSA-N 0 0 131.138 1.025 10 0 ADAERN c1cc2nonc2c2oncc12 39113083 169474149 /nfs/dbraw/zinc/47/41/49/169474149.db2.gz HXVCWWCPHCJBHF-UHFFFAOYSA-N 0 0 161.120 1.364 10 0 ADAERN c1cc2n(c1)CCS2 39095436 169474207 /nfs/dbraw/zinc/47/42/07/169474207.db2.gz ZSXJQVNQZXSAOV-UHFFFAOYSA-N 0 0 125.196 1.594 10 0 ADAERN c1cc2nnc(C3CCC3)nc2cn1 26501393 169474393 /nfs/dbraw/zinc/47/43/93/169474393.db2.gz XUCKWNNAOVGDHA-UHFFFAOYSA-N 0 0 186.218 1.687 10 0 ADAERN c1cc2ncc3c(n2n1)CCCC3 34303278 169474443 /nfs/dbraw/zinc/47/44/43/169474443.db2.gz KZWSEBDOANLJNM-UHFFFAOYSA-N 0 0 173.219 1.608 10 0 ADAERN c1cc2oncc2c2nonc12 39113084 169474448 /nfs/dbraw/zinc/47/44/48/169474448.db2.gz BAOCZPOTAQWLOL-UHFFFAOYSA-N 0 0 161.120 1.364 10 0 ADAERN c1cc2nn3cc[nH]cc3c2c1 95931727 169474479 /nfs/dbraw/zinc/47/44/79/169474479.db2.gz WKNAONZPHIDCPJ-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN c1cc2ccncn2c1 88189795 169474515 /nfs/dbraw/zinc/47/45/15/169474515.db2.gz RIEKLTCRUGDAPM-UHFFFAOYSA-N 0 0 118.139 1.334 10 0 ADAERN c1cc2c[nH]cnc-2c1 100192998 169474534 /nfs/dbraw/zinc/47/45/34/169474534.db2.gz LTFBFZBWUKWXID-UHFFFAOYSA-N 0 0 118.139 1.515 10 0 ADAERN c1cc2cocc2[nH]1 104627202 169474585 /nfs/dbraw/zinc/47/45/85/169474585.db2.gz QMRGYLXQIVLGHR-UHFFFAOYSA-N 0 0 107.112 1.761 10 0 ADAERN c1cc2n(c1)CCCC2 32143285 169474588 /nfs/dbraw/zinc/47/45/88/169474588.db2.gz QYASHELNMUPRKF-UHFFFAOYSA-N 0 0 121.183 1.824 10 0 ADAERN c1cc2cnoc2cn1 72230790 169474630 /nfs/dbraw/zinc/47/46/30/169474630.db2.gz WXTRHHSZKLAHHV-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN C1=NN=Cc2cc1ccn2 1606662 169474689 /nfs/dbraw/zinc/47/46/89/169474689.db2.gz BPKAYTUSWZNWIA-UHFFFAOYSA-N 0 0 131.138 0.848 10 0 ADAERN c1ccc(-c2nc3cncnc3[nH]2)nc1 13679499 169474794 /nfs/dbraw/zinc/47/47/94/169474794.db2.gz IKLBKJSFSNHGKO-UHFFFAOYSA-N 0 0 197.201 1.415 10 0 ADAERN c1ccc(-c2nncs2)nc1 34144107 169475027 /nfs/dbraw/zinc/47/50/27/169475027.db2.gz BDXAXPDNKJZLJS-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN c1ccc(-c2nnns2)cc1 6116824 169475033 /nfs/dbraw/zinc/47/50/33/169475033.db2.gz PXZQTGLTLYTSHC-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN c1ccc(Nc2cncnc2)nc1 82714469 169476384 /nfs/dbraw/zinc/47/63/84/169476384.db2.gz DFECJVBLIJSHJT-UHFFFAOYSA-N 0 0 172.191 1.615 10 0 ADAERN c1ccc(NN2CCOCC2)cc1 36448230 169476727 /nfs/dbraw/zinc/47/67/27/169476727.db2.gz CSFAYIHXWKUTHH-UHFFFAOYSA-N 0 0 178.235 1.346 10 0 ADAERN c1ccc(NCCn2ccnc2)cc1 53520576 169476991 /nfs/dbraw/zinc/47/69/91/169476991.db2.gz ZCDFPMXPSQGOBB-UHFFFAOYSA-N 0 0 187.246 1.995 10 0 ADAERN c1ccc(Nn2cncn2)cc1 59268744 169477272 /nfs/dbraw/zinc/47/72/72/169477272.db2.gz JGNUEHAWRGWWMP-UHFFFAOYSA-N 0 0 160.180 1.153 10 0 ADAERN c1ccc2c(-n3cncn3)nncc2c1 104295700 169477487 /nfs/dbraw/zinc/47/74/87/169477487.db2.gz ZYVUHOKOSFHNJI-UHFFFAOYSA-N 0 0 197.201 1.211 10 0 ADAERN c1ccc2[nH]occn-2cc1 90755293 169477500 /nfs/dbraw/zinc/47/75/00/169477500.db2.gz OAEIVPWVCZTUJH-UHFFFAOYSA-N 0 0 148.165 1.166 10 0 ADAERN c1ccc2[nH]c(-n3ccnc3)nc2c1 95923060 169477708 /nfs/dbraw/zinc/47/77/08/169477708.db2.gz RBPYXJCCKORRRN-UHFFFAOYSA-N 0 0 184.202 1.749 10 0 in-vitro ADAERN c1ccc2[nH]c(CN3CC3)nc2c1 1667155 169477816 /nfs/dbraw/zinc/47/78/16/169477816.db2.gz FILIWFQXMRFQJE-UHFFFAOYSA-N 0 0 173.219 1.379 10 0 ADAERN c1ccc([C@H]2COCO2)nc1 196263329 169477932 /nfs/dbraw/zinc/47/79/32/169477932.db2.gz GLRHXKULOJKUTA-MRVPVSSYSA-N 0 0 151.165 1.127 10 0 ADAERN c1ccc([C@H]2COCCO2)cc1 34200364 169477959 /nfs/dbraw/zinc/47/79/59/169477959.db2.gz WLNDDIWESXCXHM-SNVBAGLBSA-N 0 0 164.204 1.775 10 0 ADAERN c1ccc2c(-n3cccn3)cnnc2c1 104302709 169478078 /nfs/dbraw/zinc/47/80/78/169478078.db2.gz LNKCDFSVJQETHC-UHFFFAOYSA-N 0 0 196.213 1.816 10 0 ADAERN c1ccc([C@@H]2COCO2)cc1 2004451 169478344 /nfs/dbraw/zinc/47/83/44/169478344.db2.gz OVKDCYKVNYLEHK-VIFPVBQESA-N 0 0 150.177 1.732 10 0 ADAERN c1ccc([C@]2(c3ncc[nH]3)CO2)cc1 75870192 169478416 /nfs/dbraw/zinc/47/84/16/169478416.db2.gz JBDSKWDABJZVBU-NSHDSACASA-N 0 0 186.214 1.684 10 0 ADAERN c1ccc2c(c1)COCO2 5934832 169479248 /nfs/dbraw/zinc/47/92/48/169479248.db2.gz TWSIYGATPWEKBK-UHFFFAOYSA-N 0 0 136.150 1.553 10 0 ADAERN c1ccc2c(c1)Cc1n[nH]cc1CN2 34288351 169479306 /nfs/dbraw/zinc/47/93/06/169479306.db2.gz RVVRXMNYQIIJHI-UHFFFAOYSA-N 0 0 185.230 1.926 10 0 ADAERN c1ccc2c(c1)OC[C@H]1OCCN[C@@H]21 75580156 169479579 /nfs/dbraw/zinc/47/95/79/169479579.db2.gz OBKRGSXABDXYFB-MNOVXSKESA-N 0 0 191.230 1.109 10 0 ADAERN c1ccc2c(c1)N[C@@H]1OCC[C@H]1O2 19045505 169479636 /nfs/dbraw/zinc/47/96/36/169479636.db2.gz MWLWVBYNVQEXIL-NXEZZACHSA-N 0 0 177.203 1.606 10 0 ADAERN c1ccc2c(c1)N[C@H]1OCC[C@H]1O2 19045512 169479920 /nfs/dbraw/zinc/47/99/20/169479920.db2.gz MWLWVBYNVQEXIL-ZJUUUORDSA-N 0 0 177.203 1.606 10 0 ADAERN c1ccc2c(c1)ncc1ncnn12 38523150 169480144 /nfs/dbraw/zinc/48/01/44/169480144.db2.gz QSNLWWNCQMPGAY-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN c1ccc2c(c1)oc1n[nH]nc12 39136316 169480167 /nfs/dbraw/zinc/48/01/67/169480167.db2.gz RYCGEGQIRDSWQV-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1ccc2c(c1)OC[C@H]1CON=C21 34618248 169480199 /nfs/dbraw/zinc/48/01/99/169480199.db2.gz DFEQUXUBRQORKR-ZETCQYMHSA-N 0 0 175.187 1.430 10 0 ADAERN c1ccn(-c2ccon2)c1 1519955 169480730 /nfs/dbraw/zinc/48/07/30/169480730.db2.gz NGHGRLJDKPSECY-UHFFFAOYSA-N 0 0 134.138 1.465 10 0 ADAERN c1ccn(Cc2nccs2)c1 49534615 169480811 /nfs/dbraw/zinc/48/08/11/169480811.db2.gz HXOQKKUSJCNFBO-UHFFFAOYSA-N 0 0 164.233 1.993 10 0 ADAERN c1ccn(CC2CC2)c1 35651199 169481071 /nfs/dbraw/zinc/48/10/71/169481071.db2.gz IXRUUKBZHIGXFI-UHFFFAOYSA-N 0 0 121.183 1.898 10 0 ADAERN c1ccc2c3n(cc2c1)N3 39094955 169481142 /nfs/dbraw/zinc/48/11/42/169481142.db2.gz SXXOPDPVUIVRCE-UHFFFAOYSA-N 0 0 130.150 1.830 10 0 ADAERN c1ccn(C[C@H]2CCCO2)c1 35120065 169481221 /nfs/dbraw/zinc/48/12/21/169481221.db2.gz VBLLFXTXRYNABA-SECBINFHSA-N 0 0 151.209 1.667 10 0 ADAERN c1ccn(C[C@@H]2CCCO2)c1 35120063 169481242 /nfs/dbraw/zinc/48/12/42/169481242.db2.gz VBLLFXTXRYNABA-VIFPVBQESA-N 0 0 151.209 1.667 10 0 ADAERN c1ccc2nc3nsnc3nc2c1 39369569 169481645 /nfs/dbraw/zinc/48/16/45/169481645.db2.gz JUQZKHDCOKGNHZ-UHFFFAOYSA-N 0 0 188.215 1.635 10 0 ADAERN c1ccc2oc(N3CCCO3)nc2c1 336343295 169481647 /nfs/dbraw/zinc/48/16/47/169481647.db2.gz QSKRMNBQUSTTLG-UHFFFAOYSA-N 0 0 190.202 1.970 10 0 ADAERN c1ccn(-c2cnsc2)c1 73657751 169481683 /nfs/dbraw/zinc/48/16/83/169481683.db2.gz KOTVLCMYLUHMHO-UHFFFAOYSA-N 0 0 150.206 1.934 10 0 ADAERN c1cnc(-c2ccoc2)nc1 39053088 169482002 /nfs/dbraw/zinc/48/20/02/169482002.db2.gz HJYDEDBYVGBWIJ-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN c1cnc(N2CC[C@H]2C2CC2)nc1 336198289 169482430 /nfs/dbraw/zinc/48/24/30/169482430.db2.gz DYEWGXJLPXMWPA-VIFPVBQESA-N 0 0 175.235 1.465 10 0 ADAERN c1cnc(CSc2ncc[nH]2)nc1 307683418 169482525 /nfs/dbraw/zinc/48/25/25/169482525.db2.gz UKUGLUQYVMAQKF-UHFFFAOYSA-N 0 0 192.247 1.492 10 0 ADAERN c1cnc(N2C[C@@H]3CCC[C@H]32)nc1 306494672 169482833 /nfs/dbraw/zinc/48/28/33/169482833.db2.gz BCMJIUQYXCANSX-DTWKUNHWSA-N 0 0 175.235 1.465 10 0 ADAERN c1cnc(N2CC[C@@H]2C2CC2)nc1 336198288 169482869 /nfs/dbraw/zinc/48/28/69/169482869.db2.gz DYEWGXJLPXMWPA-SECBINFHSA-N 0 0 175.235 1.465 10 0 ADAERN c1cnc(N2CCC23CCC3)nc1 307661550 169483076 /nfs/dbraw/zinc/48/30/76/169483076.db2.gz GRYILFVZTZUSOP-UHFFFAOYSA-N 0 0 175.235 1.609 10 0 ADAERN c1cnc(N[C@@H]2CC23CC3)nc1 335105514 169483131 /nfs/dbraw/zinc/48/31/31/169483131.db2.gz QPHOGRONZAHRMC-SSDOTTSWSA-N 0 0 161.208 1.441 10 0 ADAERN c1cnc2c(c1)-c1n[nH]cc1CC2 169320677 169483134 /nfs/dbraw/zinc/48/31/34/169483134.db2.gz HURJMEVZJDQJJU-UHFFFAOYSA-N 0 0 171.203 1.570 10 0 ADAERN c1cnc2c(c1)cnc1[nH]cnc12 45820660 169483183 /nfs/dbraw/zinc/48/31/83/169483183.db2.gz NUVKMTXHGAPGJU-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN c1cnc2cc3c(cc2n1)CCN3 39134382 169483206 /nfs/dbraw/zinc/48/32/06/169483206.db2.gz FJTQNCVZTFZAOE-UHFFFAOYSA-N 0 0 171.203 1.598 10 0 ADAERN c1cnc2cc3c(cc2n1)OCO3 39134564 169483224 /nfs/dbraw/zinc/48/32/24/169483224.db2.gz SPCDYCMVQIHLHQ-UHFFFAOYSA-N 0 0 174.159 1.359 10 0 ADAERN c1cncc(-c2noc3c2CCN3)c1 2534063 169483376 /nfs/dbraw/zinc/48/33/76/169483376.db2.gz XHDCJRPDDMSNTN-UHFFFAOYSA-N 0 0 187.202 1.705 10 0 ADAERN c1cnc2ncncc2c1 24190940 169483421 /nfs/dbraw/zinc/48/34/21/169483421.db2.gz UDJFFSGCRRMVFH-UHFFFAOYSA-N 0 0 131.138 1.025 10 0 ADAERN c1cncc(-c2ncnc3[nH]cnc23)c1 90751844 169483690 /nfs/dbraw/zinc/48/36/90/169483690.db2.gz MDZZJZBXTUIGOI-UHFFFAOYSA-N 0 0 197.201 1.415 10 0 ADAERN c1cnc2nc3c(n2c1)CCCCC3 35015932 169483696 /nfs/dbraw/zinc/48/36/96/169483696.db2.gz KSMZWLQZZMOWGY-UHFFFAOYSA-N 0 0 187.246 1.998 10 0 ADAERN c1cnn2c(C3CCCC3)nnc2c1 75840903 169483808 /nfs/dbraw/zinc/48/38/08/169483808.db2.gz IPLVHKGRFCLXBY-UHFFFAOYSA-N 0 0 188.234 1.782 10 0 ADAERN c1cnnc(S[C@@H]2CCOC2)c1 306233880 169484107 /nfs/dbraw/zinc/48/41/07/169484107.db2.gz LCAUSBSFNJXRIL-SSDOTTSWSA-N 0 0 182.248 1.358 10 0 ADAERN c1cnn(Cc2ccncc2)c1 70162584 169484207 /nfs/dbraw/zinc/48/42/07/169484207.db2.gz RWZOGWBXJGNXIU-UHFFFAOYSA-N 0 0 159.192 1.326 10 0 ADAERN c1coc(-c2nnc3ccccn23)c1 35551941 169484257 /nfs/dbraw/zinc/48/42/57/169484257.db2.gz MHHLHKMUMIBULZ-UHFFFAOYSA-N 0 0 185.186 1.989 10 0 ADAERN c1cnnc(-c2cnco2)c1 299888997 169484383 /nfs/dbraw/zinc/48/43/83/169484383.db2.gz BSUUNCVKIPRVQP-UHFFFAOYSA-N 0 0 147.137 1.132 10 0 ADAERN c1coc(-c2cnc3n2CCNC3)c1 82390957 169484419 /nfs/dbraw/zinc/48/44/19/169484419.db2.gz SYSADHPHBDVFQI-UHFFFAOYSA-N 0 0 189.218 1.246 10 0 ADAERN c1cnnc(NC[C@@H]2CCCCO2)c1 52831256 169484451 /nfs/dbraw/zinc/48/44/51/169484451.db2.gz DRSWDTWBHMANCG-VIFPVBQESA-N 0 0 193.250 1.458 10 0 ADAERN c1coc(-c2nnc3ncccc3n2)c1 39117327 169484454 /nfs/dbraw/zinc/48/44/54/169484454.db2.gz PZWCBYWLTXRMCP-UHFFFAOYSA-N 0 0 198.185 1.680 10 0 ADAERN c1cnn(CC[C@@H]2CCCCO2)c1 306286147 169484499 /nfs/dbraw/zinc/48/44/99/169484499.db2.gz DFAHXWITCATEPW-JTQLQIEISA-N 0 0 180.251 1.842 10 0 ADAERN c1cnnc(SC[C@H]2CCCO2)c1 307247524 169484502 /nfs/dbraw/zinc/48/45/02/169484502.db2.gz MUUQUBKVGNDUMH-MRVPVSSYSA-N 0 0 196.275 1.748 10 0 ADAERN c1coc(-c2ccon2)c1 38301408 169484539 /nfs/dbraw/zinc/48/45/39/169484539.db2.gz CSWYVAJJSBNRHX-UHFFFAOYSA-N 0 0 135.122 1.935 10 0 ADAERN c1cnnc(NCC[C@H]2CCCO2)c1 52830990 169484756 /nfs/dbraw/zinc/48/47/56/169484756.db2.gz NPDQGWLRLQIVJV-SECBINFHSA-N 0 0 193.250 1.458 10 0 ADAERN c1cnnc(NCc2ccco2)c1 52815826 169484787 /nfs/dbraw/zinc/48/47/87/169484787.db2.gz HDHJOHFJDWRQQJ-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN c1coc(CNc2cn[nH]c2)c1 35764016 169485179 /nfs/dbraw/zinc/48/51/79/169485179.db2.gz OEDORTDCUBODLM-UHFFFAOYSA-N 0 0 163.180 1.615 10 0 ADAERN c1coc(NC[C@@H]2CCCO2)c1 33629784 169485215 /nfs/dbraw/zinc/48/52/15/169485215.db2.gz GQJMOBRBONEZLG-QMMMGPOBSA-N 0 0 167.208 1.871 10 0 ADAERN c1coc(CCNc2ccncn2)c1 40863294 169485251 /nfs/dbraw/zinc/48/52/51/169485251.db2.gz KMPLXRDGRLXRET-UHFFFAOYSA-N 0 0 189.218 1.724 10 0 ADAERN c1n[nH]cc1N[C@@H]1CCSC1 35764043 169486138 /nfs/dbraw/zinc/48/61/38/169486138.db2.gz ZTYUXIKYRXBVJG-ZCFIWIBFSA-N 0 0 169.253 1.327 10 0 ADAERN c1csc(NCc2cn[nH]c2)n1 38006603 169486212 /nfs/dbraw/zinc/48/62/12/169486212.db2.gz YEOLRWSQXMZZHQ-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN c1nc(-c2ccc3c(c2)CCN3)n[nH]1 42041060 169486222 /nfs/dbraw/zinc/48/62/22/169486222.db2.gz DRJSTUNHZUZLPY-UHFFFAOYSA-N 0 0 186.218 1.440 10 0 ADAERN c1n[nH]cc1NCC1CC1 36883868 169486618 /nfs/dbraw/zinc/48/66/18/169486618.db2.gz RYHGFIDCFOXTAD-UHFFFAOYSA-N 0 0 137.186 1.232 10 0 ADAERN c1n[nH]cc1NC1CCC1 44480661 169486694 /nfs/dbraw/zinc/48/66/94/169486694.db2.gz IMVCXVPVXNXCAH-UHFFFAOYSA-N 0 0 137.186 1.374 10 0 ADAERN c1n[nH]cc1NC1CCCC1 35764053 169486971 /nfs/dbraw/zinc/48/69/71/169486971.db2.gz POUUKMBAVCQZGG-UHFFFAOYSA-N 0 0 151.213 1.764 10 0 ADAERN c1nc2c(ccc3ncoc32)[nH]1 45820547 169487114 /nfs/dbraw/zinc/48/71/14/169487114.db2.gz WAVKBABFYWNQBU-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1nc2c(s1)CSCC2 75838423 169487423 /nfs/dbraw/zinc/48/74/23/169487423.db2.gz WXEAVNSXAPFUMZ-UHFFFAOYSA-N 0 0 157.263 1.932 10 0 ADAERN c1nc2c(ccc3nonc32)[nH]1 95922870 169487450 /nfs/dbraw/zinc/48/74/50/169487450.db2.gz LEAADAIQEBPGJV-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN c1nc([C@@H]2CCCO2)cs1 39134466 169487702 /nfs/dbraw/zinc/48/77/02/169487702.db2.gz VEAFCOIXHIVHEI-ZETCQYMHSA-N 0 0 155.222 1.995 10 0 ADAERN c1nc2c(s1)NCCC2 83267641 169487966 /nfs/dbraw/zinc/48/79/66/169487966.db2.gz DJYMQMCDSPBCGU-UHFFFAOYSA-N 0 0 140.211 1.501 10 0 ADAERN c1nc(N2CCC2)c2sccc2n1 306479822 169488402 /nfs/dbraw/zinc/48/84/02/169488402.db2.gz BPVULMTUYDGKLL-UHFFFAOYSA-N 0 0 191.259 1.901 10 0 ADAERN c1ncc(CNc2ccon2)cn1 83340244 169488796 /nfs/dbraw/zinc/48/87/96/169488796.db2.gz STJZJDNCQQCWQQ-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN c1nc2cnoc2s1 39134809 169488968 /nfs/dbraw/zinc/48/89/68/169488968.db2.gz CMGLNVXFZLHDBQ-UHFFFAOYSA-N 0 0 126.140 1.284 10 0 ADAERN c1nc2n[nH]cc2c2nocc12 45814167 169489524 /nfs/dbraw/zinc/48/95/24/169489524.db2.gz YAPAWFSWEDLVCV-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN c1nc2cc3nocc3cc2[nH]1 90755467 169489743 /nfs/dbraw/zinc/48/97/43/169489743.db2.gz QBKVCIMALVWOPI-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1nc2ncc3cc2cc1C3 100189149 169489790 /nfs/dbraw/zinc/48/97/90/169489790.db2.gz BJVHPVFLRWSILR-UHFFFAOYSA-N 0 0 142.161 1.534 10 0 ADAERN c1ncc2ncn(C3CCCC3)c2n1 96311349 169489803 /nfs/dbraw/zinc/48/98/03/169489803.db2.gz XDKPTYKTFBDFFM-UHFFFAOYSA-N 0 0 188.234 1.941 10 0 ADAERN c1ncc2cscc2n1 39053841 169489846 /nfs/dbraw/zinc/48/98/46/169489846.db2.gz KQWHKLZRDFJOCN-UHFFFAOYSA-N 0 0 136.179 1.691 10 0 ADAERN c1nc2ccc3n[nH]cc3c2o1 45820542 169489861 /nfs/dbraw/zinc/48/98/61/169489861.db2.gz WJPFNTJXQUJCNU-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1nc2ccc3c[nH]nc3c2o1 45820545 169489974 /nfs/dbraw/zinc/48/99/74/169489974.db2.gz RCBDEUSKSFNADN-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1nc2c(ccc3nsnc32)[nH]1 100178383 169489998 /nfs/dbraw/zinc/48/99/98/169489998.db2.gz LBQSEMANZDAAPL-UHFFFAOYSA-N 0 0 176.204 1.568 10 0 ADAERN c1nnc(N[C@H]2C[C@@H]3C[C@@H]3C2)s1 307212230 169490356 /nfs/dbraw/zinc/49/03/56/169490356.db2.gz OTCGZGCWGFKPBV-KVSKUHBBSA-N 0 0 181.264 1.749 10 0 ADAERN c1ncn2c1N=NSC2 39078627 169491146 /nfs/dbraw/zinc/49/11/46/169491146.db2.gz JZSUVIUGXNYEAU-UHFFFAOYSA-N 0 0 140.171 1.586 10 0 ADAERN C1=C2C=C3OCOC3=C(N2)O1 100102125 169491380 /nfs/dbraw/zinc/49/13/80/169491380.db2.gz LLURFFFZFNQWSU-UHFFFAOYSA-N 0 0 151.121 0.519 10 0 ADAERN c1noc2cc3cnoc3cc12 201358772 169491673 /nfs/dbraw/zinc/49/16/73/169491673.db2.gz OCAKCBRYUFCNLX-UHFFFAOYSA-N 0 0 160.132 1.969 10 0 ADAERN NCC(F)(F)c1ccco1 137042758 343983321 /nfs/dbraw/zinc/98/33/21/343983321.db2.gz NXFMVVNUMGQVFT-UHFFFAOYSA-N 0 0 147.124 1.330 10 0 ADAERN CC[C@H]1CC(=O)C[C@@H](CC)O1 137038321 343983326 /nfs/dbraw/zinc/98/33/26/343983326.db2.gz LFPMRCBPDAIVHN-DTORHVGOSA-N 0 0 156.225 1.923 10 0 ADAERN O[C@H]1CCC[C@H]1NOC1CCCC1 136995620 343983337 /nfs/dbraw/zinc/98/33/37/343983337.db2.gz XGIXBDCHERMASS-ZJUUUORDSA-N 0 0 185.267 1.364 10 0 ADAERN NCC(F)(F)c1ccoc1 137039684 343983362 /nfs/dbraw/zinc/98/33/62/343983362.db2.gz CSYWVQHHDVAJFM-UHFFFAOYSA-N 0 0 147.124 1.330 10 0 ADAERN O[C@@H]1CCC[C@@H]1NOC1CCCC1 136995744 343983367 /nfs/dbraw/zinc/98/33/67/343983367.db2.gz XGIXBDCHERMASS-VHSXEESVSA-N 0 0 185.267 1.364 10 0 ADAERN C1CNC(=NOC2CCCC2)C1 136988139 343983373 /nfs/dbraw/zinc/98/33/73/343983373.db2.gz FYEVPGBUWFCCKU-UHFFFAOYSA-N 0 0 168.240 1.643 10 0 ADAERN NCC(F)(F)c1nccs1 137039333 343983406 /nfs/dbraw/zinc/98/34/06/343983406.db2.gz UIGRYQMADMIOFC-UHFFFAOYSA-N 0 0 164.180 1.194 10 0 ADAERN O[C@H]1CCC[C@@H]1NOC1CCCC1 136995665 343983408 /nfs/dbraw/zinc/98/34/08/343983408.db2.gz XGIXBDCHERMASS-UWVGGRQHSA-N 0 0 185.267 1.364 10 0 ADAERN COC(=O)c1ccc(NC#N)cc1 137045281 343983807 /nfs/dbraw/zinc/98/38/07/343983807.db2.gz ISPSODPTYQOENZ-UHFFFAOYSA-N 0 0 176.175 1.366 10 0 ADAERN Cc1nc([C@H](C)O)c(C)o1 137098044 343983808 /nfs/dbraw/zinc/98/38/08/343983808.db2.gz SBNXKDRCIUBQCT-BYPYZUCNSA-N 0 0 141.170 1.345 10 0 ADAERN C[C@@H]1NC(=O)N(c2cccs2)C1=O 137150710 343983815 /nfs/dbraw/zinc/98/38/15/343983815.db2.gz PIDUVEQPZNMOAL-YFKPBYRVSA-N 0 0 196.231 1.193 10 0 ADAERN OC[C@@H]1C[C@H]1COCc1ccccc1 137054748 343983817 /nfs/dbraw/zinc/98/38/17/343983817.db2.gz QXASXPPLOQNMOY-RYUDHWBXSA-N 0 0 192.258 1.832 10 0 ADAERN C[C@@H]1c2cc(N)ccc2CC[N@H+]1C 137070146 343983819 /nfs/dbraw/zinc/98/38/19/343983819.db2.gz UCNUTVDLVFSOPG-MRVPVSSYSA-N 0 0 176.263 1.818 10 0 ADAERN NCC(F)(F)c1cncc(F)c1 137044732 343983822 /nfs/dbraw/zinc/98/38/22/343983822.db2.gz KDLDETAIJHWSRX-UHFFFAOYSA-N 0 0 176.141 1.271 10 0 ADAERN 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171018837 /nfs/dbraw/zinc/01/88/37/171018837.db2.gz JIOGJHYMEJMJOO-YFKPBYRVSA-N 0 0 163.176 1.500 10 0 ADAERN C[NH+]1CCCC(=O)CCC1 5966350 171018861 /nfs/dbraw/zinc/01/88/61/171018861.db2.gz HXKFJDKQJXBMEY-UHFFFAOYSA-N 0 0 141.214 1.061 10 0 ADAERN c1ccc([C@@H]2CC[NH2+]CO2)cc1 5934265 171018906 /nfs/dbraw/zinc/01/89/06/171018906.db2.gz NXRSRCLQERAMPF-JTQLQIEISA-N 0 0 163.220 1.695 10 0 ADAERN OC/C=C/c1ccccc1O 5945746 171019101 /nfs/dbraw/zinc/01/91/01/171019101.db2.gz FDIWLEOZUNUOCT-HWKANZROSA-N 0 0 150.177 1.398 10 0 ADAERN CC(=O)C[C@@H](C)C(C)=O 6036086 171019205 /nfs/dbraw/zinc/01/92/05/171019205.db2.gz NLLILAUVOOREKR-RXMQYKEDSA-N 0 0 128.171 1.191 10 0 ADAERN Cc1ccccc1OC[C@@](C)(O)CO 6071921 171019379 /nfs/dbraw/zinc/01/93/79/171019379.db2.gz CSVLJZZEXDDQJF-NSHDSACASA-N 0 0 196.246 1.117 10 0 ADAERN N#[N+]c1cccc(S(=O)(=O)[O-])c1 6092528 171019477 /nfs/dbraw/zinc/01/94/77/171019477.db2.gz MQAGWJGGLKPBSC-UHFFFAOYSA-O 0 0 185.184 1.418 10 0 in-vivo ADAERN On1ccc(=S)cc1 6119070 171019507 /nfs/dbraw/zinc/01/95/07/171019507.db2.gz PMKUJLHDVRBNSN-UHFFFAOYSA-N 0 0 127.168 1.455 10 0 ADAERN O=[N+]([O-])OCc1cccc(Cl)n1 6093450 171019517 /nfs/dbraw/zinc/01/95/17/171019517.db2.gz KLKMRHCMLLGCSZ-UHFFFAOYSA-N 0 0 188.570 1.443 10 0 ADAERN Cc1ccccc1OC[C@](C)(O)CO 6071914 171019730 /nfs/dbraw/zinc/01/97/30/171019730.db2.gz CSVLJZZEXDDQJF-LLVKDONJSA-N 0 0 196.246 1.117 10 0 ADAERN CCSC(=O)C(=O)SCC 6411418 171019755 /nfs/dbraw/zinc/01/97/55/171019755.db2.gz AOPOCMMRDUZGAS-UHFFFAOYSA-N 0 0 178.278 1.546 10 0 ADAERN Oc1ccc(Cn2cccn2)cc1 6119178 171019782 /nfs/dbraw/zinc/01/97/82/171019782.db2.gz SLCYYEKQDZIXOZ-UHFFFAOYSA-N 0 0 174.203 1.637 10 0 ADAERN O=c1oc(-c2ccncc2)ns1 6585033 171020441 /nfs/dbraw/zinc/02/04/41/171020441.db2.gz GBLGUALQMKIIMW-UHFFFAOYSA-N 0 0 180.188 1.158 10 0 ADAERN COc1ccc2c(CO)coc2c1 6490762 171020451 /nfs/dbraw/zinc/02/04/51/171020451.db2.gz RRJYVCDPICTODZ-UHFFFAOYSA-N 0 0 178.187 1.934 10 0 ADAERN O=c1oc(-c2cccnc2)ns1 6536527 171020547 /nfs/dbraw/zinc/02/05/47/171020547.db2.gz UBPOITHMKKOZFC-UHFFFAOYSA-N 0 0 180.188 1.158 10 0 ADAERN O=c1nc(-c2ccccc2)s[nH]1 6476012 171020615 /nfs/dbraw/zinc/02/06/15/171020615.db2.gz XWNLOUXOTUBXEA-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN COc1ccccc1NC(=O)CCO 6666276 171020747 /nfs/dbraw/zinc/02/07/47/171020747.db2.gz VJOGNIXHAMJGER-UHFFFAOYSA-N 0 0 195.218 1.016 10 0 ADAERN O=c1c(O)csc2ccccc12 6721274 171020766 /nfs/dbraw/zinc/02/07/66/171020766.db2.gz KHTGKJNGMHFHCW-UHFFFAOYSA-N 0 0 178.212 1.967 10 0 ADAERN FC(F)(F)c1nc2ccccn2n1 8382202 171021013 /nfs/dbraw/zinc/02/10/13/171021013.db2.gz CHZZGVOXBRLKIT-UHFFFAOYSA-N 0 0 187.124 1.748 10 0 ADAERN Cc1ccc2nc(C)[nH]c2n1 36220532 171021039 /nfs/dbraw/zinc/02/10/39/171021039.db2.gz DMJJJHIFADRWEF-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN O=c1occc2ccc(O)cc12 205615113 171021378 /nfs/dbraw/zinc/02/13/78/171021378.db2.gz GGGMIBRVCCSFNG-UHFFFAOYSA-N 0 0 162.144 1.499 10 0 ADAERN C[C@H]1CC(c2ccccc2)=NNC1=O 38312592 171021389 /nfs/dbraw/zinc/02/13/89/171021389.db2.gz MITLKHILFHLTRV-QMMMGPOBSA-N 0 0 188.230 1.547 10 0 ADAERN [NH3+]C1(C(=O)[O-])C2CCCC1CCC2 6904447 171021499 /nfs/dbraw/zinc/02/14/99/171021499.db2.gz FHJXLSAWYORMMX-UHFFFAOYSA-N 0 0 183.251 1.369 10 0 ADAERN Oc1ccc(O)c2c(O)cccc12 8582046 171021559 /nfs/dbraw/zinc/02/15/59/171021559.db2.gz NHEVNUARLCWEED-UHFFFAOYSA-N 0 0 176.171 1.957 10 0 endogenous,in-man ADAERN S=c1ncc(-c2ccncc2)c[nH]1 8436808 171021578 /nfs/dbraw/zinc/02/15/78/171021578.db2.gz HSFWHBXYTCWGOQ-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN CC(C)c1cn2ccc(CO)cc2n1 36274077 171021639 /nfs/dbraw/zinc/02/16/39/171021639.db2.gz YGTIRRGMAPAXCI-UHFFFAOYSA-N 0 0 190.246 1.950 10 0 ADAERN c1cncc(CNc2ncco2)c1 8699337 171021749 /nfs/dbraw/zinc/02/17/49/171021749.db2.gz UWNLUPXWFRMFPG-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CCC/C=C/[C@@H](C)O 8689873 171021995 /nfs/dbraw/zinc/02/19/95/171021995.db2.gz BOEWENCXVIMZRU-WEWAHIQMSA-N 0 0 114.188 1.724 10 0 ADAERN CCC/C=C/[C@H](C)O 8689874 171022292 /nfs/dbraw/zinc/02/22/92/171022292.db2.gz BOEWENCXVIMZRU-XPPMVYLVSA-N 0 0 114.188 1.724 10 0 ADAERN COc1ccc2c(C)[nH]c(=O)cc2c1 9556456 171023091 /nfs/dbraw/zinc/02/30/91/171023091.db2.gz AMZSRYGHWVAWNS-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN Cc1ccc2[nH]c(=O)cc(N)c2c1 9879510 171023248 /nfs/dbraw/zinc/02/32/48/171023248.db2.gz JGMKLRXIRFQUSH-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN CC1(C)COC[C@@H](c2ccco2)N1 11803386 171023579 /nfs/dbraw/zinc/02/35/79/171023579.db2.gz VYFTUAFOOTWYPY-QMMMGPOBSA-N 0 0 181.235 1.719 10 0 ADAERN CC1(C)[C@@H]2C[C@H](O)[C@@]1(C)C[C@@H]2O 11757604 171023790 /nfs/dbraw/zinc/02/37/90/171023790.db2.gz HLVIHBJQDKVEAL-CHIQAWFVSA-N 0 0 170.252 1.164 10 0 ADAERN CO[C@@H]1OCc2c1cnc(C)c2O 11737092 171023834 /nfs/dbraw/zinc/02/38/34/171023834.db2.gz VJLOSNVTUZXNCI-SECBINFHSA-N 0 0 181.191 1.271 10 0 ADAERN O=Cc1cccn1C(=O)n1cccc1 75578332 171023843 /nfs/dbraw/zinc/02/38/43/171023843.db2.gz QLEQFOJWSLSIKL-UHFFFAOYSA-N 0 0 188.186 1.619 10 0 ADAERN O=C([O-])c1ccccc1C[NH2+]C1CC1 10475301 171023889 /nfs/dbraw/zinc/02/38/89/171023889.db2.gz KGQZBWYMJYFXRF-UHFFFAOYSA-N 0 0 191.230 1.637 10 0 ADAERN CC1(C)COC[C@H](c2ccco2)N1 11803389 171023915 /nfs/dbraw/zinc/02/39/15/171023915.db2.gz VYFTUAFOOTWYPY-MRVPVSSYSA-N 0 0 181.235 1.719 10 0 ADAERN Cc1ccccc1N1CC[C@@H](CO)C1 11892753 171024375 /nfs/dbraw/zinc/02/43/75/171024375.db2.gz KUAHZSNTKHCXPM-LLVKDONJSA-N 0 0 191.274 1.814 10 0 ADAERN Cc1ccccc1N1CC[C@H](CO)C1 11892757 171024571 /nfs/dbraw/zinc/02/45/71/171024571.db2.gz KUAHZSNTKHCXPM-NSHDSACASA-N 0 0 191.274 1.814 10 0 ADAERN COc1ccc2[nH]c(=O)c(C)nc2c1 12249761 171024988 /nfs/dbraw/zinc/02/49/88/171024988.db2.gz ZXYAFSDFNOGZSM-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN O=Cc1ccc(C(=O)C(F)(F)F)o1 11887646 171025006 /nfs/dbraw/zinc/02/50/06/171025006.db2.gz OZMHCDQREVLAMP-UHFFFAOYSA-N 0 0 192.092 1.837 10 0 ADAERN CN(C)c1nc2ccccc2nc1N 12413996 171025802 /nfs/dbraw/zinc/02/58/02/171025802.db2.gz AUGGIWVOYFJQAX-UHFFFAOYSA-N 0 0 188.234 1.278 10 0 ADAERN COc1ccc(OC(C)C)c(C[NH3+])c1 37094217 171026447 /nfs/dbraw/zinc/02/64/47/171026447.db2.gz UCELQQPZBDWDEX-UHFFFAOYSA-N 0 0 195.262 1.941 10 0 ADAERN S=C1CN2C=CC=CC2=N1 13207463 171026618 /nfs/dbraw/zinc/02/66/18/171026618.db2.gz ORWVKTQCOTXXKE-UHFFFAOYSA-N 0 0 150.206 1.623 10 0 ADAERN C[C@@H]1CCOC(=O)CC1 13508118 171027060 /nfs/dbraw/zinc/02/70/60/171027060.db2.gz VNXMFQWTDCWMDQ-LURJTMIESA-N 0 0 128.171 1.350 10 0 ADAERN COc1ccc2c(=O)c(O)coc2c1 13481521 171027137 /nfs/dbraw/zinc/02/71/37/171027137.db2.gz RUHKWILQGBGFIK-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN Oc1ccc(O)c2[nH]ccc12 13513221 171027197 /nfs/dbraw/zinc/02/71/97/171027197.db2.gz CSFIMPKKNQAIBP-UHFFFAOYSA-N 0 0 149.149 1.579 10 0 ADAERN O=c1c(O)c[nH]c2ccccc12 13537638 171027205 /nfs/dbraw/zinc/02/72/05/171027205.db2.gz BHTNYVRPYQQOMJ-UHFFFAOYSA-N 0 0 161.160 1.234 10 0 in-vitro ADAERN [O-][n+]1csc2ccccc21 13376290 171027248 /nfs/dbraw/zinc/02/72/48/171027248.db2.gz LMIAGQODFKONRT-UHFFFAOYSA-N 0 0 151.190 1.535 10 0 ADAERN C[C@H]1CCOC(=O)CC1 13508120 171027345 /nfs/dbraw/zinc/02/73/45/171027345.db2.gz VNXMFQWTDCWMDQ-ZCFIWIBFSA-N 0 0 128.171 1.350 10 0 ADAERN C[C@H]1CC[C@@H](C(C)(C)O)[C@@H](O)C1 13520481 171027468 /nfs/dbraw/zinc/02/74/68/171027468.db2.gz LMXFTMYMHGYJEI-YIZRAAEISA-N 0 0 172.268 1.554 10 0 endogenous,in-man ADAERN c1ccc(CCc2c[nH]cn2)nc1 13560684 171028145 /nfs/dbraw/zinc/02/81/45/171028145.db2.gz KZRQLGIMXSUKBW-UHFFFAOYSA-N 0 0 173.219 1.590 10 0 ADAERN CN(C)c1ncc2c(n1)CCCC2=O 14000047 171028337 /nfs/dbraw/zinc/02/83/37/171028337.db2.gz CBJMOFUFGDWZAV-UHFFFAOYSA-N 0 0 191.234 1.062 10 0 ADAERN CCCc1nccc2[nH]c(=O)ccc12 13731300 171028381 /nfs/dbraw/zinc/02/83/81/171028381.db2.gz SKTJETBSFAHYMQ-UHFFFAOYSA-N 0 0 188.230 1.876 10 0 ADAERN c1cncc(Cc2c[nH]cn2)c1 13560683 171028390 /nfs/dbraw/zinc/02/83/90/171028390.db2.gz IQMRECYOUIKYGG-UHFFFAOYSA-N 0 0 159.192 1.396 10 0 in-vivo ADAERN c1cc(CCc2c[nH]cn2)ccn1 13560686 171028508 /nfs/dbraw/zinc/02/85/08/171028508.db2.gz JWBSRLPKZFKHSE-UHFFFAOYSA-N 0 0 173.219 1.590 10 0 ADAERN Nc1ccc2[nH]nc(Cl)c2c1F 14985867 171028876 /nfs/dbraw/zinc/02/88/76/171028876.db2.gz RTQQQRYQVGMXJF-UHFFFAOYSA-N 0 0 185.589 1.938 10 0 ADAERN CC/C=C/C=C/C(=O)OC 15270311 171029042 /nfs/dbraw/zinc/02/90/42/171029042.db2.gz GCYDJSKTCBITBG-YTXTXJHMSA-N 0 0 140.182 1.682 10 0 ADAERN O=Cc1cccc2[nH]nc(C=O)c12 14984562 171029143 /nfs/dbraw/zinc/02/91/43/171029143.db2.gz PAMRARKANQZYSJ-UHFFFAOYSA-N 0 0 174.159 1.188 10 0 ADAERN C=CSc1ncccn1 15043173 171029172 /nfs/dbraw/zinc/02/91/72/171029172.db2.gz NJRKPDOYRXMXAT-UHFFFAOYSA-N 0 0 138.195 1.712 10 0 ADAERN CC(=O)Nc1cc(C)c(C)cn1 14985914 171029198 /nfs/dbraw/zinc/02/91/98/171029198.db2.gz NWZZBYWZIIKZDT-UHFFFAOYSA-N 0 0 164.208 1.657 10 0 in-vitro ADAERN [O-][n+]1ccc(-c2cccnc2)cc1 15780528 171029427 /nfs/dbraw/zinc/02/94/27/171029427.db2.gz IKYMHZPIRGEEDR-UHFFFAOYSA-N 0 0 172.187 1.382 10 0 ADAERN C[n+]1cc(=O)c2cc(Cl)ccc2[n-]1 15767342 171029606 /nfs/dbraw/zinc/02/96/06/171029606.db2.gz RWWYWMJKKFUWCP-UHFFFAOYSA-O 0 0 195.629 1.418 10 0 ADAERN C=C=CCCC(=O)OC 15809774 171029672 /nfs/dbraw/zinc/02/96/72/171029672.db2.gz CUEIYTRWDOPVOE-UHFFFAOYSA-N 0 0 126.155 1.281 10 0 ADAERN CC(C)(C)Sc1ccc(NN)nn1 15829640 171029809 /nfs/dbraw/zinc/02/98/09/171029809.db2.gz QCBJDYVPJLUOGE-UHFFFAOYSA-N 0 0 198.295 1.653 10 0 ADAERN CC(=O)CSC(F)(F)F 15442362 171029941 /nfs/dbraw/zinc/02/99/41/171029941.db2.gz INWKNMFZRQVEOE-UHFFFAOYSA-N 0 0 158.144 1.828 10 0 ADAERN CC(C)OC(=O)CNC1CCCC1 37394063 171030320 /nfs/dbraw/zinc/03/03/20/171030320.db2.gz FDUONRCQZQIOEQ-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN C/C=C\C(=O)OC(C)C 16892842 171031029 /nfs/dbraw/zinc/03/10/29/171031029.db2.gz AABBHSMFGKYLKE-PLNGDYQASA-N 0 0 128.171 1.514 10 0 ADAERN O[C@@H](C1CC1)[C@H]1CCCCO1 17764658 171031749 /nfs/dbraw/zinc/03/17/49/171031749.db2.gz DRYIFZNRMJAXFS-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN CC(C)OC(=O)CC(F)(F)F 17409334 171032132 /nfs/dbraw/zinc/03/21/32/171032132.db2.gz 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/nfs/dbraw/zinc/04/17/77/171041777.db2.gz BEGRYGSHNSVWLM-UHFFFAOYSA-N 0 0 153.181 1.649 10 0 ADAERN COC(/C=C/C1CC1)OC 22016917 171041856 /nfs/dbraw/zinc/04/18/56/171041856.db2.gz NKTIKJLVFCWHIQ-AATRIKPKSA-N 0 0 142.198 1.572 10 0 ADAERN COc1ccc(O)c([C@@H](C)O)c1 22154737 171042036 /nfs/dbraw/zinc/04/20/36/171042036.db2.gz DQVCCABXVPOKSC-ZCFIWIBFSA-N 0 0 168.192 1.454 10 0 ADAERN CC(=O)OCC1CCC(=O)CC1 22112849 171042109 /nfs/dbraw/zinc/04/21/09/171042109.db2.gz CWENPVJPLKTIGU-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN Nc1n[nH]cc1C(=O)c1ccsc1 22010897 171042272 /nfs/dbraw/zinc/04/22/72/171042272.db2.gz ZKGVYFPXBJKOCR-UHFFFAOYSA-N 0 0 193.231 1.284 10 0 ADAERN c1cnc2c(c1)OCCCN2 23664562 171042468 /nfs/dbraw/zinc/04/24/68/171042468.db2.gz UAWDLDJIIINUTL-UHFFFAOYSA-N 0 0 150.181 1.276 10 0 ADAERN c1cnc2c(c1)COCC2 24190147 171042555 /nfs/dbraw/zinc/04/25/55/171042555.db2.gz OAOJNTGCUVEIEL-UHFFFAOYSA-N 0 0 135.166 1.154 10 0 ADAERN C[C@H]1CNC(=O)C[C@H]1c1ccccc1 23508936 171042572 /nfs/dbraw/zinc/04/25/72/171042572.db2.gz LADFFZSMMUHIFW-GXSJLCMTSA-N 0 0 189.258 1.926 10 0 ADAERN C[C@@H]1CNC(=O)C[C@@H]1c1ccccc1 23508930 171042694 /nfs/dbraw/zinc/04/26/94/171042694.db2.gz LADFFZSMMUHIFW-KOLCDFICSA-N 0 0 189.258 1.926 10 0 ADAERN c1ccc(C2COC2)nc1 23894279 171042750 /nfs/dbraw/zinc/04/27/50/171042750.db2.gz HPTHLAAZJKETBM-UHFFFAOYSA-N 0 0 135.166 1.195 10 0 ADAERN c1cnc2c(c1)CCOCC2 23670955 171042815 /nfs/dbraw/zinc/04/28/15/171042815.db2.gz BYTKHLGLNRAVGK-UHFFFAOYSA-N 0 0 149.193 1.197 10 0 ADAERN CC/C=C/C[C@@H]1O[C@@H]1CO 23666758 171043205 /nfs/dbraw/zinc/04/32/05/171043205.db2.gz VDIXFQKCYZMKAY-XMYQNILUSA-N 0 0 142.198 1.102 10 0 ADAERN CC/C=C/C[C@H]1O[C@@H]1CO 23666764 171043256 /nfs/dbraw/zinc/04/32/56/171043256.db2.gz VDIXFQKCYZMKAY-ATXJSMISSA-N 0 0 142.198 1.102 10 0 ADAERN c1cnc2c(c1)CCOC2 24190135 171043401 /nfs/dbraw/zinc/04/34/01/171043401.db2.gz YWIHMXWDEWRBLK-UHFFFAOYSA-N 0 0 135.166 1.154 10 0 ADAERN C[C@@H]1CNC(=O)C[C@H]1c1ccccc1 23508933 171043409 /nfs/dbraw/zinc/04/34/09/171043409.db2.gz LADFFZSMMUHIFW-MWLCHTKSSA-N 0 0 189.258 1.926 10 0 ADAERN CC/C=C1/C=C(/C=C/CO)C(=O)O1 38434265 171043884 /nfs/dbraw/zinc/04/38/84/171043884.db2.gz YGPGUEZTBZXORL-PVOUKABXSA-N 0 0 180.203 1.312 10 0 ADAERN OCCCc1c(O)ccc2c1CCO2 25973893 171043982 /nfs/dbraw/zinc/04/39/82/171043982.db2.gz DSLHVEAQPSIMIR-UHFFFAOYSA-N 0 0 194.230 1.252 10 0 ADAERN OCCCc1cc2c(cc1O)CCO2 25971667 171044020 /nfs/dbraw/zinc/04/40/20/171044020.db2.gz NBCPEELHRMPYFF-UHFFFAOYSA-N 0 0 194.230 1.252 10 0 ADAERN S=C1N=NC(c2cc[nH]n2)S1 26549557 171044645 /nfs/dbraw/zinc/04/46/45/171044645.db2.gz RVJQIIFJPKOQMO-UHFFFAOYSA-N 0 0 184.249 1.217 10 0 ADAERN C/C=C\C(=O)N1CCCCC1 38609715 171044828 /nfs/dbraw/zinc/04/48/28/171044828.db2.gz DEHSTVNSEJEWPR-KXFIGUGUSA-N 0 0 153.225 1.575 10 0 ADAERN CCNC(=O)Nc1ccc(O)c(C)c1 148613992 344056404 /nfs/dbraw/zinc/05/64/04/344056404.db2.gz JHBLMAQAUGWPHT-UHFFFAOYSA-N 0 0 194.234 1.842 10 0 ADAERN c1cncc(C2N=NN=N2)c1 26476133 171044839 /nfs/dbraw/zinc/04/48/39/171044839.db2.gz YONWVNQYFSZOBZ-UHFFFAOYSA-N 0 0 147.141 1.913 10 0 ADAERN N#[N+]c1cccc(C(=O)[O-])c1 26292095 171044907 /nfs/dbraw/zinc/04/49/07/171044907.db2.gz JGDVEGYTXVVWGW-UHFFFAOYSA-O 0 0 149.129 1.869 10 0 in-vitro ADAERN c1cc(C2N=NN=N2)ccn1 26492707 171044958 /nfs/dbraw/zinc/04/49/58/171044958.db2.gz XBPWPGJMPFBCTM-UHFFFAOYSA-N 0 0 147.141 1.913 10 0 ADAERN CCCc1nn(C)c(N)c1CCC 26511774 171045163 /nfs/dbraw/zinc/04/51/63/171045163.db2.gz DGOFLNGLYVPCON-UHFFFAOYSA-N 0 0 181.283 1.907 10 0 ADAERN O=Cc1ccccc1OC[C@@H]1CO1 38810355 171045884 /nfs/dbraw/zinc/04/58/84/171045884.db2.gz HZKXFLZMKWMMNG-VIFPVBQESA-N 0 0 178.187 1.277 10 0 ADAERN COc1ccccc1C[C@H](C)CO 39017744 171045905 /nfs/dbraw/zinc/04/59/05/171045905.db2.gz SIKJORVOXZHMHW-VIFPVBQESA-N 0 0 180.247 1.866 10 0 ADAERN CC/C=C1/C=C(CCCO)C(=O)O1 38760967 171045917 /nfs/dbraw/zinc/04/59/17/171045917.db2.gz YNRNIKRFIIHGPK-WTKPLQERSA-N 0 0 182.219 1.536 10 0 ADAERN COc1ccccc1C[C@@H](C)CO 39017745 171045987 /nfs/dbraw/zinc/04/59/87/171045987.db2.gz SIKJORVOXZHMHW-SECBINFHSA-N 0 0 180.247 1.866 10 0 ADAERN CC(C)(C)[C@@H](CC[NH3+])CCC(=O)[O-] 38810552 171046003 /nfs/dbraw/zinc/04/60/03/171046003.db2.gz IBBZTRIGWAFTDK-MRVPVSSYSA-N 0 0 187.283 1.862 10 0 ADAERN CC(=O)OC/C=C/c1ccc(O)cc1 26957897 171046012 /nfs/dbraw/zinc/04/60/12/171046012.db2.gz UUEPXFWSBUIUAZ-NSCUHMNNSA-N 0 0 192.214 1.969 10 0 in-vitro ADAERN COC(=O)/C=C/c1ccc(O)c(C)c1 148620789 344056407 /nfs/dbraw/zinc/05/64/07/344056407.db2.gz ZMZDKIVHUILHKA-GQCTYLIASA-N 0 0 192.214 1.887 10 0 ADAERN CC(C)c1ccnc(N(C)C)n1 27196533 171046135 /nfs/dbraw/zinc/04/61/35/171046135.db2.gz ZWNNPHVZQXVVBI-UHFFFAOYSA-N 0 0 165.240 1.666 10 0 ADAERN CN(C)c1nccc(C(C)(C)C)n1 27207139 171046154 /nfs/dbraw/zinc/04/61/54/171046154.db2.gz UISXHSMOCIILEC-UHFFFAOYSA-N 0 0 179.267 1.840 10 0 ADAERN O=Cc1ccccc1OC[C@H]1CO1 38810356 171046161 /nfs/dbraw/zinc/04/61/61/171046161.db2.gz HZKXFLZMKWMMNG-SECBINFHSA-N 0 0 178.187 1.277 10 0 ADAERN CN(C)c1nccc(C(F)(F)F)n1 27196898 171046190 /nfs/dbraw/zinc/04/61/90/171046190.db2.gz SMDIIJYWPOJVDM-UHFFFAOYSA-N 0 0 191.156 1.561 10 0 ADAERN COc1ccc(O)c2c(=O)cc[nH]c12 27867939 171046619 /nfs/dbraw/zinc/04/66/19/171046619.db2.gz USTABMZVFVMLPJ-UHFFFAOYSA-N 0 0 191.186 1.242 10 0 ADAERN O=Cc1cccn(-c2ccccc2)c1=O 39205968 171046699 /nfs/dbraw/zinc/04/66/99/171046699.db2.gz BGUJADYMKQFGJP-UHFFFAOYSA-N 0 0 199.209 1.650 10 0 ADAERN CCOC(=O)C[C@@H](O)CC(C)C 39428254 171046703 /nfs/dbraw/zinc/04/67/03/171046703.db2.gz ARMYFORCTHQXAS-QMMMGPOBSA-N 0 0 174.240 1.347 10 0 ADAERN CC(C)(C)C(=O)N1CCCC1=O 27713053 171046878 /nfs/dbraw/zinc/04/68/78/171046878.db2.gz JELCEBGOGRKJTF-UHFFFAOYSA-N 0 0 169.224 1.182 10 0 ADAERN S=c1cc[nH]c2ccnn12 27706233 171047025 /nfs/dbraw/zinc/04/70/25/171047025.db2.gz MGXRNJIOKRYZQT-UHFFFAOYSA-N 0 0 151.194 1.018 10 0 ADAERN COc1ccc2c(C)nccc2n1 27551541 171047062 /nfs/dbraw/zinc/04/70/62/171047062.db2.gz MHDPQAKJJGQKPI-UHFFFAOYSA-N 0 0 174.203 1.947 10 0 ADAERN O=[N+]([O-])OCc1ccccc1 28763218 171047332 /nfs/dbraw/zinc/04/73/32/171047332.db2.gz WOIVNLSVAKYSKX-UHFFFAOYSA-N 0 0 153.137 1.395 10 0 ADAERN NC(=S)CCn1ncccc1=S 28105327 171047378 /nfs/dbraw/zinc/04/73/78/171047378.db2.gz RCQKMRYWGWODEQ-UHFFFAOYSA-N 0 0 199.304 1.289 10 0 ADAERN CC(C)OC(=O)CN1CCCCC1 39988861 171047570 /nfs/dbraw/zinc/04/75/70/171047570.db2.gz FXSBEEBIOBNYLF-UHFFFAOYSA-N 0 0 185.267 1.424 10 0 ADAERN CC1(C)OCCS[C@@H]2CC(=O)N21 28540504 171047601 /nfs/dbraw/zinc/04/76/01/171047601.db2.gz ZRVYSURLZGXYBP-SSDOTTSWSA-N 0 0 187.264 1.044 10 0 ADAERN C=Cc1c(C)nn(C)c(=O)c1NCC 28710307 171047802 /nfs/dbraw/zinc/04/78/02/171047802.db2.gz HHKOSCYFWZRNRN-UHFFFAOYSA-N 0 0 193.250 1.164 10 0 ADAERN O=C(OC1CCC1)c1cccc(=O)[nH]1 28968919 171047894 /nfs/dbraw/zinc/04/78/94/171047894.db2.gz SBJBAOFNJMFNBY-UHFFFAOYSA-N 0 0 193.202 1.084 10 0 ADAERN O=c1nc2ccc(F)c(F)c2c[nH]1 29563352 171048347 /nfs/dbraw/zinc/04/83/47/171048347.db2.gz DDIMTVCMVQUGOC-UHFFFAOYSA-N 0 0 182.129 1.614 10 0 ADAERN O=c1c2c(nc3n1CCCC3)CCC2 29339225 171048508 /nfs/dbraw/zinc/04/85/08/171048508.db2.gz GMFURYYNPXBKGY-UHFFFAOYSA-N 0 0 190.246 1.068 10 0 ADAERN O=c1nc2n(c3c1CCCC3)CCC2 29329889 171048556 /nfs/dbraw/zinc/04/85/56/171048556.db2.gz UBGGZIUWFVQECW-UHFFFAOYSA-N 0 0 190.246 1.068 10 0 ADAERN CCCc1ncc2cn[nH]c(=S)n12 29463854 171048576 /nfs/dbraw/zinc/04/85/76/171048576.db2.gz CLAYGDBKHGPTDC-UHFFFAOYSA-N 0 0 194.263 1.366 10 0 ADAERN O=c1c2c(nc3ccccn13)CCC2 29328985 171048592 /nfs/dbraw/zinc/04/85/92/171048592.db2.gz DLEKPPJSDIKZAN-UHFFFAOYSA-N 0 0 186.214 1.183 10 0 ADAERN C[NH+](C)CCOc1cccc(F)c1N 40239843 171048597 /nfs/dbraw/zinc/04/85/97/171048597.db2.gz UNOICXFCOYCNPR-UHFFFAOYSA-N 0 0 198.241 1.348 10 0 ADAERN CC/C=C/CCOC1OCCO1 38645533 171048959 /nfs/dbraw/zinc/04/89/59/171048959.db2.gz OEGZLVQKMGBRDZ-ONEGZZNKSA-N 0 0 172.224 1.690 10 0 ADAERN COc1ccccc1NCC(C)(C)O 32009286 171049237 /nfs/dbraw/zinc/04/92/37/171049237.db2.gz KAYUXCBJHTTXLC-UHFFFAOYSA-N 0 0 195.262 1.878 10 0 ADAERN O[C@@H](CCC1OCCO1)c1ccco1 32009622 171049335 /nfs/dbraw/zinc/04/93/35/171049335.db2.gz ZQKHVPJJXBUSIX-QMMMGPOBSA-N 0 0 198.218 1.466 10 0 ADAERN CN(C)C(=O)/C=C/c1cccc(N)c1 32008238 171049398 /nfs/dbraw/zinc/04/93/98/171049398.db2.gz YVYCDIOTLUXYKQ-VOTSOKGWSA-N 0 0 190.246 1.370 10 0 ADAERN NC(=S)Cc1cnc2ccccn12 31933406 171049659 /nfs/dbraw/zinc/04/96/59/171049659.db2.gz KJLMPULYVRMLAW-UHFFFAOYSA-N 0 0 191.259 1.163 10 0 ADAERN ClC1(Cl)COCOC1 206372639 171049683 /nfs/dbraw/zinc/04/96/83/171049683.db2.gz BLQNXMDZYXNPCF-UHFFFAOYSA-N 0 0 156.996 1.165 10 0 ADAERN COc1ccc2c(CCO)noc2c1 31887609 171049764 /nfs/dbraw/zinc/04/97/64/171049764.db2.gz RTRYQSWSBFSCRD-UHFFFAOYSA-N 0 0 193.202 1.371 10 0 ADAERN COC(=O)c1c(C)ccnc1OC 31776928 171049822 /nfs/dbraw/zinc/04/98/22/171049822.db2.gz RAUVGUCBJUCSKI-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN NC(=S)CC(=O)Oc1ccccc1 33373362 171050418 /nfs/dbraw/zinc/05/04/18/171050418.db2.gz YNDJSEMRPFZRAJ-UHFFFAOYSA-N 0 0 195.243 1.268 10 0 ADAERN CS(C)=NC(=O)OC(C)(C)C 32302397 171050487 /nfs/dbraw/zinc/05/04/87/171050487.db2.gz XGKISZIBOYHNLA-UHFFFAOYSA-N 0 0 177.269 1.983 10 0 ADAERN CN(C)C(=O)/C=C/c1cccnc1 32296860 171050515 /nfs/dbraw/zinc/05/05/15/171050515.db2.gz FSNGYQKSFARNFS-AATRIKPKSA-N 0 0 176.219 1.183 10 0 ADAERN O=c1c(=O)c2cc3c(cc12)CCCC3 32299241 171050532 /nfs/dbraw/zinc/05/05/32/171050532.db2.gz DSASPUOMMKHTFP-UHFFFAOYSA-N 0 0 186.210 1.315 10 0 ADAERN CC(=O)CSc1ccccc1N 32698055 171050661 /nfs/dbraw/zinc/05/06/61/171050661.db2.gz MKOLAPNGEZVLJL-UHFFFAOYSA-N 0 0 181.260 1.950 10 0 ADAERN CN(C)c1nc2ccccc2n1C 32299752 171050673 /nfs/dbraw/zinc/05/06/73/171050673.db2.gz OUFVANMAOMFKCX-UHFFFAOYSA-N 0 0 175.235 1.639 10 0 ADAERN NC(=O)c1ccc(F)c(C2CC2)c1 32914704 171050968 /nfs/dbraw/zinc/05/09/68/171050968.db2.gz APDOBYXPOOSGDO-UHFFFAOYSA-N 0 0 179.194 1.802 10 0 ADAERN O=C(/C=C\c1ccco1)n1cccn1 33710625 171051197 /nfs/dbraw/zinc/05/11/97/171051197.db2.gz BHQDGWGLAIFBKL-PLNGDYQASA-N 0 0 188.186 1.830 10 0 ADAERN NC1=N[C@@]2(CCCCO2)CCS1 33755350 171051238 /nfs/dbraw/zinc/05/12/38/171051238.db2.gz OOOLPZPZYUNPSZ-MRVPVSSYSA-N 0 0 186.280 1.335 10 0 ADAERN CNc1ccc(C(C)=O)cc1O 33824863 171051564 /nfs/dbraw/zinc/05/15/64/171051564.db2.gz GYGQWBBAWJBKRW-UHFFFAOYSA-N 0 0 165.192 1.637 10 0 ADAERN CC(=O)c1ccc(C=O)o1 33509387 171051602 /nfs/dbraw/zinc/05/16/02/171051602.db2.gz COGVGDXHVCDEAN-UHFFFAOYSA-N 0 0 138.122 1.295 10 0 ADAERN Cc1ccccc1OC(C)(C)C(N)=O 33432862 171051628 /nfs/dbraw/zinc/05/16/28/171051628.db2.gz BTAVYJMHRSSIHP-UHFFFAOYSA-N 0 0 193.246 1.638 10 0 ADAERN CCCc1nn2c(C=O)cnc2s1 33419157 171051643 /nfs/dbraw/zinc/05/16/43/171051643.db2.gz KYWHQYDOGWVECP-UHFFFAOYSA-N 0 0 195.247 1.556 10 0 ADAERN NC(=S)[C@H]1CC=CCC1 33487808 171051661 /nfs/dbraw/zinc/05/16/61/171051661.db2.gz BCIPMXTUMHTZBE-LURJTMIESA-N 0 0 141.239 1.629 10 0 ADAERN NC1=N[C@]2(CCCCO2)CCS1 33755349 171051743 /nfs/dbraw/zinc/05/17/43/171051743.db2.gz OOOLPZPZYUNPSZ-QMMMGPOBSA-N 0 0 186.280 1.335 10 0 ADAERN CN1CC(C)(C)CN(C)C1=O 33506144 171051807 /nfs/dbraw/zinc/05/18/07/171051807.db2.gz OTEZPAVCBPPFLU-UHFFFAOYSA-N 0 0 156.229 1.010 10 0 ADAERN CC(=O)Nc1ccc(C(C)=O)cc1F 33608524 171051814 /nfs/dbraw/zinc/05/18/14/171051814.db2.gz VTSRUHHYVDPFBT-UHFFFAOYSA-N 0 0 195.193 1.987 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])CC[C@H]2CCC[C@H]21 34049842 171052047 /nfs/dbraw/zinc/05/20/47/171052047.db2.gz DGXOVQRMMMLUCG-FXPVBKGRSA-N 0 0 197.278 1.616 10 0 ADAERN O=Cc1cccc2c1C(=O)OC2 33835560 171052178 /nfs/dbraw/zinc/05/21/78/171052178.db2.gz RPYMKVVWTMETGV-UHFFFAOYSA-N 0 0 162.144 1.170 10 0 ADAERN Cc1ccccc1[C@@H]1OCCN1C 33856855 171052230 /nfs/dbraw/zinc/05/22/30/171052230.db2.gz HOLRMCUEVLMWIO-NSHDSACASA-N 0 0 177.247 1.956 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])C[C@@H]2CCC[C@H]21 34049736 171052351 /nfs/dbraw/zinc/05/23/51/171052351.db2.gz JXSBZOVCVUSLIO-QXFUBDJGSA-N 0 0 183.251 1.226 10 0 ADAERN CC/C=C\CC(OC)OC 33953562 171052359 /nfs/dbraw/zinc/05/23/59/171052359.db2.gz AIFDKYGVVMSLMZ-WAYWQWQTSA-N 0 0 144.214 1.962 10 0 ADAERN NC(=O)c1nc2ccc(O)cc2s1 33980408 171052367 /nfs/dbraw/zinc/05/23/67/171052367.db2.gz YVWKVSNJQPPMEE-UHFFFAOYSA-N 0 0 194.215 1.101 10 0 ADAERN CC(=O)OC/C=C(\C)COC(C)=O 33953382 171052379 /nfs/dbraw/zinc/05/23/79/171052379.db2.gz LJPNEMAMFITRSO-QPJJXVBHSA-N 0 0 186.207 1.059 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])C[C@H]2CCC[C@@H]21 34049737 171052431 /nfs/dbraw/zinc/05/24/31/171052431.db2.gz JXSBZOVCVUSLIO-KHQFGBGNSA-N 0 0 183.251 1.226 10 0 ADAERN CN(C)C(=O)/C=C/c1ccccc1O 33840613 171052433 /nfs/dbraw/zinc/05/24/33/171052433.db2.gz LUEVIFOBTPHNHU-BQYQJAHWSA-N 0 0 191.230 1.494 10 0 ADAERN NC(=O)c1ccc(N=O)cc1 34016788 171052475 /nfs/dbraw/zinc/05/24/75/171052475.db2.gz MTQVCSMMHKUIMU-UHFFFAOYSA-N 0 0 150.137 1.183 10 0 ADAERN O=c1[nH]nccc1-c1ccccc1 34069225 171052484 /nfs/dbraw/zinc/05/24/84/171052484.db2.gz TVKFDBOFBKXOQT-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN CC(C)C(=O)N(C)c1ccccc1N 34061193 171052512 /nfs/dbraw/zinc/05/25/12/171052512.db2.gz OIEHPMBRSFSTDO-UHFFFAOYSA-N 0 0 192.262 1.888 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])CC[C@@H]2CCC[C@H]21 34049843 171052526 /nfs/dbraw/zinc/05/25/26/171052526.db2.gz DGXOVQRMMMLUCG-IQJOONFLSA-N 0 0 197.278 1.616 10 0 ADAERN CCN1C(=O)Cc2cc(C=O)ccc21 34152114 171052721 /nfs/dbraw/zinc/05/27/21/171052721.db2.gz DDGPTMMETJCKBM-UHFFFAOYSA-N 0 0 189.214 1.408 10 0 ADAERN NC(=O)n1ccc2ccccc21 34165405 171052727 /nfs/dbraw/zinc/05/27/27/171052727.db2.gz CQILOHWHIWNQOE-UHFFFAOYSA-N 0 0 160.176 1.568 10 0 ADAERN CC(=O)c1ccc(C=O)c(O)c1 34122989 171052755 /nfs/dbraw/zinc/05/27/55/171052755.db2.gz HGNTWTJATJAGBB-UHFFFAOYSA-N 0 0 164.160 1.407 10 0 ADAERN [NH3+]C[C@@]1(CC(=O)[O-])C[C@@H]2CCCC[C@@H]21 34116103 171052882 /nfs/dbraw/zinc/05/28/82/171052882.db2.gz LZBLSYMXABKJKB-QXEWZRGKSA-N 0 0 197.278 1.616 10 0 ADAERN CC1(C)[C@@H]2C[C@H]1CC[C@]2(O)CO 34079546 171052924 /nfs/dbraw/zinc/05/29/24/171052924.db2.gz VXXAKGMRLUXFQH-WEDXCCLWSA-N 0 0 170.252 1.166 10 0 ADAERN C[S@@](=O)c1cccc(C=O)c1 34101846 171052979 /nfs/dbraw/zinc/05/29/79/171052979.db2.gz STTTUGHXWAHUPN-NSHDSACASA-N 0 0 168.217 1.237 10 0 ADAERN OCCC[C@H](O)c1ccco1 34161371 171052981 /nfs/dbraw/zinc/05/29/81/171052981.db2.gz MVOPIUAQVWWVLQ-ZETCQYMHSA-N 0 0 156.181 1.086 10 0 ADAERN NC(=O)c1cc(O)c2ccccc2c1 34134364 171052989 /nfs/dbraw/zinc/05/29/89/171052989.db2.gz DSKKHLPDEGDRDP-UHFFFAOYSA-N 0 0 187.198 1.644 10 0 ADAERN c1cnc2c(c1)COC2 34088431 171053060 /nfs/dbraw/zinc/05/30/60/171053060.db2.gz HVKAKDJOXWRYBB-UHFFFAOYSA-N 0 0 121.139 1.112 10 0 ADAERN OC(=S)n1cccc1 34122853 171053090 /nfs/dbraw/zinc/05/30/90/171053090.db2.gz WWJKIVQBQCQWDY-UHFFFAOYSA-N 0 0 127.168 1.179 10 0 ADAERN CCCc1ncc(O)cn1 34103670 171053110 /nfs/dbraw/zinc/05/31/10/171053110.db2.gz SQKCMNUCNFQVTR-UHFFFAOYSA-N 0 0 138.170 1.135 10 0 ADAERN c1cnc2c(c1)CCO2 34087071 171053175 /nfs/dbraw/zinc/05/31/75/171053175.db2.gz IFMHNXABCSMTFF-UHFFFAOYSA-N 0 0 121.139 1.017 10 0 ADAERN Oc1ccc(C2=NCCO2)cc1F 34133843 171053193 /nfs/dbraw/zinc/05/31/93/171053193.db2.gz UCEMBCQHDJTNNW-UHFFFAOYSA-N 0 0 181.166 1.308 10 0 ADAERN OCCC[C@@H](O)c1ccco1 34161370 171053239 /nfs/dbraw/zinc/05/32/39/171053239.db2.gz MVOPIUAQVWWVLQ-SSDOTTSWSA-N 0 0 156.181 1.086 10 0 ADAERN Cc1ccc2[nH]c(=O)c(N)c(C)c2c1 34104340 171053265 /nfs/dbraw/zinc/05/32/65/171053265.db2.gz OKTZPRWKGMLZRU-UHFFFAOYSA-N 0 0 188.230 1.727 10 0 ADAERN CO[C@@H]1OCCc2ccccc21 34103708 171053276 /nfs/dbraw/zinc/05/32/76/171053276.db2.gz WDJCAJQOXSPJJF-SNVBAGLBSA-N 0 0 164.204 1.904 10 0 ADAERN c1ccc(C2OCCCO2)nc1 34283219 171053587 /nfs/dbraw/zinc/05/35/87/171053587.db2.gz OEUABYXZYAAFBT-UHFFFAOYSA-N 0 0 165.192 1.517 10 0 ADAERN CC1(C)[C@@H]2[C@H]1CC[C@]2(C[NH3+])CC(=O)[O-] 34216760 171053602 /nfs/dbraw/zinc/05/36/02/171053602.db2.gz QDAFOWRBCRPETR-POZPLHJXSA-N 0 0 197.278 1.472 10 0 ADAERN C[S@@](=O)/C=C/c1ccccc1N 34260237 171053667 /nfs/dbraw/zinc/05/36/67/171053667.db2.gz CYJVNMVGSCEDFQ-SYTKJHMZSA-N 0 0 181.260 1.618 10 0 ADAERN C=CC(=O)N(C)CCC 34247092 171053700 /nfs/dbraw/zinc/05/37/00/171053700.db2.gz RGNKVBUBMHKKJP-UHFFFAOYSA-N 0 0 127.187 1.041 10 0 ADAERN [O-][n+]1ccc(Cl)cc1Cl 34216194 171053921 /nfs/dbraw/zinc/05/39/21/171053921.db2.gz YRHODESFUHUABO-UHFFFAOYSA-N 0 0 163.991 1.627 10 0 ADAERN Oc1cccc(Oc2cccnn2)c1 34204840 171053974 /nfs/dbraw/zinc/05/39/74/171053974.db2.gz HJDWRKGRJGNDCU-UHFFFAOYSA-N 0 0 188.186 1.975 10 0 ADAERN O=Cc1cccc2nocc12 34225536 171053995 /nfs/dbraw/zinc/05/39/95/171053995.db2.gz OABPRUYGJBZYOO-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN c1cncc(C2OCCCO2)c1 34283220 171054015 /nfs/dbraw/zinc/05/40/15/171054015.db2.gz YWQFVMWORVHCPP-UHFFFAOYSA-N 0 0 165.192 1.517 10 0 ADAERN CC(C)OC(=O)C(F)(F)Cl 34204784 171054058 /nfs/dbraw/zinc/05/40/58/171054058.db2.gz WGERDDCMSZFJRZ-UHFFFAOYSA-N 0 0 172.558 1.770 10 0 ADAERN Oc1ccc(Cn2ccnn2)cc1 34246055 171054061 /nfs/dbraw/zinc/05/40/61/171054061.db2.gz UIZKYFDYKHKXAN-UHFFFAOYSA-N 0 0 175.191 1.032 10 0 ADAERN CC1(C(=O)C2CC2)CC1 34346860 171054659 /nfs/dbraw/zinc/05/46/59/171054659.db2.gz YMMNIACJBNJTSU-UHFFFAOYSA-N 0 0 124.183 1.766 10 0 ADAERN C[S@@](=O)c1ccc2[nH]ccc2c1 34413794 171054722 /nfs/dbraw/zinc/05/47/22/171054722.db2.gz JGEXSEKEWXHZGB-LBPRGKRZSA-N 0 0 179.244 1.905 10 0 ADAERN O=Cc1cccc2nnsc12 34381465 171054724 /nfs/dbraw/zinc/05/47/24/171054724.db2.gz AKLLPUHUSIQTRA-UHFFFAOYSA-N 0 0 164.189 1.504 10 0 ADAERN CC(=O)CCCC1OCCO1 34408146 171054732 /nfs/dbraw/zinc/05/47/32/171054732.db2.gz NNCJQNRXPMMCMH-UHFFFAOYSA-N 0 0 158.197 1.119 10 0 ADAERN OC/C=C/c1ccc2c(c1)OCCO2 34381469 171054743 /nfs/dbraw/zinc/05/47/43/171054743.db2.gz UJDXCTIQYOIVMF-OWOJBTEDSA-N 0 0 192.214 1.463 10 0 ADAERN O=Cc1ccc(C=O)c(C=O)c1 34291505 171054754 /nfs/dbraw/zinc/05/47/54/171054754.db2.gz JMRQKWYIMBFUBZ-UHFFFAOYSA-N 0 0 162.144 1.124 10 0 ADAERN COc1ccc(O)c(/C=C/NC=O)c1 34369284 171054812 /nfs/dbraw/zinc/05/48/12/171054812.db2.gz SVVKWQHWJHUESV-SNAWJCMRSA-N 0 0 193.202 1.118 10 0 ADAERN CC(C)N(C(N)=S)C(C)C 34311027 171054892 /nfs/dbraw/zinc/05/48/92/171054892.db2.gz JLLFFHVWBDFRIZ-UHFFFAOYSA-N 0 0 160.286 1.349 10 0 ADAERN CO[C@@H](C)CC[C@H](C)O 34413084 171054908 /nfs/dbraw/zinc/05/49/08/171054908.db2.gz PFPKJPNLWZMSQY-BQBZGAKWSA-N 0 0 132.203 1.182 10 0 ADAERN Cc1ccccc1C1=CC(=O)OC1 34419388 171054936 /nfs/dbraw/zinc/05/49/36/171054936.db2.gz BQEJRXXEEJOABX-UHFFFAOYSA-N 0 0 174.199 1.935 10 0 ADAERN Oc1cccc2c1C=CC2 34411286 171054971 /nfs/dbraw/zinc/05/49/71/171054971.db2.gz TZEIAPXWECOJGT-UHFFFAOYSA-N 0 0 132.162 1.962 10 0 ADAERN CN(C)c1nc2c(O)cccc2n1C 34414590 171055017 /nfs/dbraw/zinc/05/50/17/171055017.db2.gz CAEWHSMQFFMXSM-UHFFFAOYSA-N 0 0 191.234 1.345 10 0 ADAERN CO[C@@H](C)CC[C@@H](C)O 34413085 171055039 /nfs/dbraw/zinc/05/50/39/171055039.db2.gz PFPKJPNLWZMSQY-RQJHMYQMSA-N 0 0 132.203 1.182 10 0 ADAERN OCCSc1cccc2nccn12 34301305 171055067 /nfs/dbraw/zinc/05/50/67/171055067.db2.gz KPLQRILLNOMEJM-UHFFFAOYSA-N 0 0 194.259 1.419 10 0 ADAERN C/C=C/CC(=O)NCCC 34371093 171055083 /nfs/dbraw/zinc/05/50/83/171055083.db2.gz HHDVYXULPBDYNY-HWKANZROSA-N 0 0 141.214 1.479 10 0 ADAERN COc1ccc2[nH]c(N)cc2n1 34413190 171055182 /nfs/dbraw/zinc/05/51/82/171055182.db2.gz PZILLUKFHQGDOY-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN CCc1[nH]c(C(=O)OC)cc1C 34448886 171055307 /nfs/dbraw/zinc/05/53/07/171055307.db2.gz SJSOCCHZOCIUQS-UHFFFAOYSA-N 0 0 167.208 1.672 10 0 ADAERN O=Cc1cccc2[nH]c(=O)sc12 34449419 171055340 /nfs/dbraw/zinc/05/53/40/171055340.db2.gz XJPDCGDZFLTLNM-UHFFFAOYSA-N 0 0 179.200 1.402 10 0 ADAERN C=Cc1cc(O)ccc1O 34539131 171055372 /nfs/dbraw/zinc/05/53/72/171055372.db2.gz GWYFZTJDIQALEB-UHFFFAOYSA-N 0 0 136.150 1.741 10 0 ADAERN N#COc1ccc(C=O)cc1 34426560 171055440 /nfs/dbraw/zinc/05/54/40/171055440.db2.gz BYMZMVNQWJIIDN-UHFFFAOYSA-N 0 0 147.133 1.359 10 0 ADAERN CCOC(=O)[C@H](O)CC1=CCCC1 147567957 344044441 /nfs/dbraw/zinc/04/44/41/344044441.db2.gz RDORVLGJOIOUCD-SECBINFHSA-N 0 0 184.235 1.411 10 0 ADAERN NC(=O)c1ncc(-c2ccccc2)o1 34473158 171055458 /nfs/dbraw/zinc/05/54/58/171055458.db2.gz WCTKUVRVFILAKE-UHFFFAOYSA-N 0 0 188.186 1.441 10 0 ADAERN CC(C)=CC(N)=S 34493483 171055571 /nfs/dbraw/zinc/05/55/71/171055571.db2.gz SVZLBNDZKHDHKL-UHFFFAOYSA-N 0 0 115.201 1.239 10 0 ADAERN CC(C)(C)C(=O)CN1CCCCC1=O 34439035 171055596 /nfs/dbraw/zinc/05/55/96/171055596.db2.gz UDEVPHNYEFEROQ-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN [NH3+]CC1=COc2ccccc2O1 34479024 171055681 /nfs/dbraw/zinc/05/56/81/171055681.db2.gz AODSQYZYAGVROA-UHFFFAOYSA-N 0 0 163.176 1.258 10 0 ADAERN C/C=C/C(=O)NC(=O)OC(C)(C)C 34455140 171055694 /nfs/dbraw/zinc/05/56/94/171055694.db2.gz ZFUADHQJRZHCTD-AATRIKPKSA-N 0 0 185.223 1.614 10 0 ADAERN S=c1[nH][nH]c2ccccc12 34494002 171055727 /nfs/dbraw/zinc/05/57/27/171055727.db2.gz QZQLBBPKPGSZBH-UHFFFAOYSA-N 0 0 150.206 1.852 10 0 ADAERN CC(=O)Nc1cc(N)c(F)cc1O 34433130 171055740 /nfs/dbraw/zinc/05/57/40/171055740.db2.gz OLAIURQIELNYCH-UHFFFAOYSA-N 0 0 184.170 1.072 10 0 ADAERN Cc1ccnc(-n2ccc(C)n2)n1 34449227 171055755 /nfs/dbraw/zinc/05/57/55/171055755.db2.gz PLAVPAAXFREPOG-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN NC(=S)/C=C/c1ccccc1 34540229 171055821 /nfs/dbraw/zinc/05/58/21/171055821.db2.gz HIJXCSPSAVIBMJ-VOTSOKGWSA-N 0 0 163.245 1.986 10 0 ADAERN Oc1cccc(OCCF)c1 34450108 171055878 /nfs/dbraw/zinc/05/58/78/171055878.db2.gz BHHHDKLYOOPAFQ-UHFFFAOYSA-N 0 0 156.156 1.741 10 0 ADAERN COC(=O)c1[nH]c(C)c(C)c1C=O 34449520 171055925 /nfs/dbraw/zinc/05/59/25/171055925.db2.gz JRSRSELFXJTQBX-UHFFFAOYSA-N 0 0 181.191 1.231 10 0 ADAERN C/C=C/C(=O)n1nc(C)cc1C 34617917 171056281 /nfs/dbraw/zinc/05/62/81/171056281.db2.gz RKFPPQJJCPXERZ-SNAWJCMRSA-N 0 0 164.208 1.716 10 0 ADAERN COC(=O)c1[nH]cc(C(C)=O)c1C 34557224 171056282 /nfs/dbraw/zinc/05/62/82/171056282.db2.gz FNPZWIXZESXCKU-UHFFFAOYSA-N 0 0 181.191 1.312 10 0 ADAERN OCCC[C@@H]1Cc2ccccc2[C@@H]1O 34562581 171056301 /nfs/dbraw/zinc/05/63/01/171056301.db2.gz MUDJHGONDUJUQZ-ZYHUDNBSSA-N 0 0 192.258 1.665 10 0 ADAERN CCCCCC(=O)C=O 34588649 171056369 /nfs/dbraw/zinc/05/63/69/171056369.db2.gz LGCRPSSTNIJLAY-UHFFFAOYSA-N 0 0 128.171 1.335 10 0 ADAERN CC(C)(C)C(=O)CCCO 34621671 171056398 /nfs/dbraw/zinc/05/63/98/171056398.db2.gz QFASWQGJJBPWNE-UHFFFAOYSA-N 0 0 144.214 1.374 10 0 ADAERN OC(=S)c1ccco1 34582293 171056431 /nfs/dbraw/zinc/05/64/31/171056431.db2.gz KXXALFSFISKXFX-UHFFFAOYSA-N 0 0 128.152 1.513 10 0 ADAERN NC(=S)CCc1ccc(O)cc1 34604378 171056461 /nfs/dbraw/zinc/05/64/61/171056461.db2.gz WTWRYCSVEGSXSY-UHFFFAOYSA-N 0 0 181.260 1.611 10 0 ADAERN CC1(C)[C@@H]2C[C@H]1[C@@H](O)[C@@](C)(O)C2 34599247 171056491 /nfs/dbraw/zinc/05/64/91/171056491.db2.gz JAEVDHIYEAGALC-JIOCBJNQSA-N 0 0 170.252 1.164 10 0 ADAERN CC1(C)O[C@H]2C=CC=C[C@H]2O1 34588667 171056557 /nfs/dbraw/zinc/05/65/57/171056557.db2.gz XLRDXQUMUWLWAY-OCAPTIKFSA-N 0 0 152.193 1.633 10 0 ADAERN Nc1ccc(N)c2c(N)cccc12 34571612 171056564 /nfs/dbraw/zinc/05/65/64/171056564.db2.gz VZHLGOZZXYNVPD-UHFFFAOYSA-N 0 0 173.219 1.586 10 0 ADAERN CC(=O)OC(OC(C)=O)c1ccoc1 34597060 171056710 /nfs/dbraw/zinc/05/67/10/171056710.db2.gz VNIJZYKMCYTIHB-UHFFFAOYSA-N 0 0 198.174 1.404 10 0 ADAERN C=CSc1nccn1C 34545602 171056735 /nfs/dbraw/zinc/05/67/35/171056735.db2.gz NPJGMEWBUPKOFD-UHFFFAOYSA-N 0 0 140.211 1.656 10 0 ADAERN O=S1(=O)N=Nc2ccccc21 34581487 171056822 /nfs/dbraw/zinc/05/68/22/171056822.db2.gz GKBSGPVVDOEWHL-UHFFFAOYSA-N 0 0 168.177 1.473 10 0 ADAERN Oc1cccc(OCc2ncon2)c1 34962436 171057077 /nfs/dbraw/zinc/05/70/77/171057077.db2.gz ZVDNRQIHLZLPHT-UHFFFAOYSA-N 0 0 192.174 1.354 10 0 ADAERN CC(C)CC(=O)CCCO 34770669 171057108 /nfs/dbraw/zinc/05/71/08/171057108.db2.gz OJOYISPNZFFDRI-UHFFFAOYSA-N 0 0 144.214 1.374 10 0 ADAERN Oc1cccc(OCc2ccno2)c1 34962438 171057176 /nfs/dbraw/zinc/05/71/76/171057176.db2.gz UNQRFFHNTADNSL-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN O=c1[nH]c(-c2ccco2)cs1 34669905 171057346 /nfs/dbraw/zinc/05/73/46/171057346.db2.gz UERSXEQUXCCJOV-UHFFFAOYSA-N 0 0 167.189 1.696 10 0 ADAERN O=c1[nH]c2cc(F)cc(F)c2o1 34626703 171057481 /nfs/dbraw/zinc/05/74/81/171057481.db2.gz TVLICOYVQWXFAP-UHFFFAOYSA-N 0 0 171.102 1.812 10 0 ADAERN CCc1[nH]c(=O)sc1C 34669826 171057682 /nfs/dbraw/zinc/05/76/82/171057682.db2.gz ICWPTIBZSSYWNH-UHFFFAOYSA-N 0 0 143.211 1.307 10 0 ADAERN CC(C)=CC(=O)NC1CCC(O)CC1 35101249 171058186 /nfs/dbraw/zinc/05/81/86/171058186.db2.gz DTZUGAVMTUKQCJ-UHFFFAOYSA-N 0 0 197.278 1.372 10 0 ADAERN NCC(=O)c1cnc2ccccc2c1 67734104 171058209 /nfs/dbraw/zinc/05/82/09/171058209.db2.gz MWJNRASRRMHGCF-UHFFFAOYSA-N 0 0 186.214 1.376 10 0 ADAERN O=[N+]([O-])/C(=C/c1cccs1)CO 35000754 171058229 /nfs/dbraw/zinc/05/82/29/171058229.db2.gz HKEHPCLBRABVNK-GQCTYLIASA-N 0 0 185.204 1.358 10 0 ADAERN CCCCCCN[C@@H](C)C(=O)OC 35041574 171058277 /nfs/dbraw/zinc/05/82/77/171058277.db2.gz JSZMNUNRBZQOIV-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN CC(=O)C(=O)Nc1c(C)cccc1C 35181228 171058321 /nfs/dbraw/zinc/05/83/21/171058321.db2.gz GIHBLKOUXQSLGX-UHFFFAOYSA-N 0 0 191.230 1.831 10 0 ADAERN CCNc1ccc(C(=O)NC)cc1 35036756 171058397 /nfs/dbraw/zinc/05/83/97/171058397.db2.gz FLMIOONHSXXIEV-UHFFFAOYSA-N 0 0 178.235 1.478 10 0 ADAERN C[C@@H]1CN=C(NCC(F)(F)F)S1 35294842 171058739 /nfs/dbraw/zinc/05/87/39/171058739.db2.gz RQLCNCSPLIIAQG-SCSAIBSYSA-N 0 0 198.213 1.630 10 0 ADAERN CC(=O)Nc1cccc(OCCO)c1 35650118 171058778 /nfs/dbraw/zinc/05/87/78/171058778.db2.gz KMWFVFAFDQYOTL-UHFFFAOYSA-N 0 0 195.218 1.016 10 0 ADAERN C[C@H]1CN=C(NCC(F)(F)F)S1 35294843 171058968 /nfs/dbraw/zinc/05/89/68/171058968.db2.gz RQLCNCSPLIIAQG-BYPYZUCNSA-N 0 0 198.213 1.630 10 0 ADAERN Nc1ccc(F)cc1Cn1cccn1 35308554 171059044 /nfs/dbraw/zinc/05/90/44/171059044.db2.gz MJFFQRPRKDSYLU-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN CNc1ccc(N)c2ncccc12 35340499 171059096 /nfs/dbraw/zinc/05/90/96/171059096.db2.gz WWPQFEQHPBSTNH-UHFFFAOYSA-N 0 0 173.219 1.859 10 0 ADAERN Nc1ccc(F)cc1Cn1cncn1 35308556 171059122 /nfs/dbraw/zinc/05/91/22/171059122.db2.gz JTYPJEHLDSXYBA-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN COn1cccc2c3ccccc3nc1-2 35644976 171059211 /nfs/dbraw/zinc/05/92/11/171059211.db2.gz JAWXJXLQGGPQSU-UHFFFAOYSA-O 0 0 199.233 1.667 10 0 in-vitro ADAERN Nc1ccc(F)cc1Cn1ccnc1 35308557 171059214 /nfs/dbraw/zinc/05/92/14/171059214.db2.gz KZUDHMGYKZJESJ-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN S=C1C=NCS1 35530609 171059230 /nfs/dbraw/zinc/05/92/30/171059230.db2.gz PKXGJLZKCTVTDR-UHFFFAOYSA-N 0 0 117.198 1.432 10 0 ADAERN C[C@@H]1CN=C(Nc2cnn(C)c2)S1 35738143 171059233 /nfs/dbraw/zinc/05/92/33/171059233.db2.gz SZPVUGDHTKOKIM-ZCFIWIBFSA-N 0 0 196.279 1.323 10 0 ADAERN [O-][n+]1cccc2c3ccccc3[nH]c21 35636681 171059243 /nfs/dbraw/zinc/05/92/43/171059243.db2.gz SKRPELZNUWSQRQ-UHFFFAOYSA-N 0 0 184.198 1.955 10 0 in-vitro ADAERN Cc1ccccc1CNC(N)=S 35565006 171059255 /nfs/dbraw/zinc/05/92/55/171059255.db2.gz YDAKEVOYUPFWFX-UHFFFAOYSA-N 0 0 180.276 1.328 10 0 ADAERN O=Cc1cccc2[nH]cc(C=O)c12 35635692 171059372 /nfs/dbraw/zinc/05/93/72/171059372.db2.gz SMQPUDRWQOCRRH-UHFFFAOYSA-N 0 0 173.171 1.793 10 0 ADAERN Oc1cccc(CNc2cn[nH]c2)c1 35763768 171059727 /nfs/dbraw/zinc/05/97/27/171059727.db2.gz RNYGONSWEZZSNW-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN C[C@H]1CN=C(Nc2cnn(C)c2)S1 35738144 171059734 /nfs/dbraw/zinc/05/97/34/171059734.db2.gz SZPVUGDHTKOKIM-LURJTMIESA-N 0 0 196.279 1.323 10 0 ADAERN O=Cc1cccn1C(=O)C1CC1 36255307 171059742 /nfs/dbraw/zinc/05/97/42/171059742.db2.gz KKCOJBBRFZHIIY-UHFFFAOYSA-N 0 0 163.176 1.351 10 0 ADAERN O=Cc1cccn1C(=O)[C@H]1CCCO1 36255314 171059890 /nfs/dbraw/zinc/05/98/90/171059890.db2.gz BOCVAZNWDRPXMU-SECBINFHSA-N 0 0 193.202 1.120 10 0 ADAERN O=Cc1cccn1C(=O)[C@@H]1CCCO1 36255312 171059963 /nfs/dbraw/zinc/05/99/63/171059963.db2.gz BOCVAZNWDRPXMU-VIFPVBQESA-N 0 0 193.202 1.120 10 0 ADAERN O=Cc1cccn1C(=O)C(F)(F)F 36255408 171059983 /nfs/dbraw/zinc/05/99/83/171059983.db2.gz OBEGBCSIKIRAAQ-UHFFFAOYSA-N 0 0 191.108 1.503 10 0 ADAERN NC(=S)C[C@@H]1CCCCO1 36231018 171060035 /nfs/dbraw/zinc/06/00/35/171060035.db2.gz LEQPMRVRLBTQIW-LURJTMIESA-N 0 0 159.254 1.232 10 0 ADAERN COc1ccc(=O)c2ccc[nH]c1-2 36198682 171060193 /nfs/dbraw/zinc/06/01/93/171060193.db2.gz ITOXYELULCZZSB-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN c1cncc(CNc2cn[nH]c2)c1 35764018 171060226 /nfs/dbraw/zinc/06/02/26/171060226.db2.gz MAFCVOABGRFSAA-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN CN(C)c1nc2ccc(N)cc2n1C 35822643 171060233 /nfs/dbraw/zinc/06/02/33/171060233.db2.gz CFLGSXQNLPVSMG-UHFFFAOYSA-N 0 0 190.250 1.222 10 0 ADAERN Oc1ccc(CNc2cn[nH]c2)cc1 35764095 171060236 /nfs/dbraw/zinc/06/02/36/171060236.db2.gz JNIPWRCOBPODRW-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN O=Cc1cccn1C(=O)c1ccco1 36255315 171060250 /nfs/dbraw/zinc/06/02/50/171060250.db2.gz PVSBZSBGSVITAY-UHFFFAOYSA-N 0 0 189.170 1.582 10 0 ADAERN NC(=S)C[C@H]1CCCCO1 36231019 171060266 /nfs/dbraw/zinc/06/02/66/171060266.db2.gz LEQPMRVRLBTQIW-ZCFIWIBFSA-N 0 0 159.254 1.232 10 0 ADAERN c1cncc(NC2CCOCC2)c1 36303745 171060547 /nfs/dbraw/zinc/06/05/47/171060547.db2.gz NXYDPZNZSCKQKA-UHFFFAOYSA-N 0 0 178.235 1.673 10 0 ADAERN O=S1(=O)CCC(n2cccc2)CC1 36332624 171060586 /nfs/dbraw/zinc/06/05/86/171060586.db2.gz CWYJOMBQSXTBQX-UHFFFAOYSA-N 0 0 199.275 1.238 10 0 ADAERN C/C=C/C(=O)Nc1cc(N)ccc1F 36278086 171060630 /nfs/dbraw/zinc/06/06/30/171060630.db2.gz VKANGLYJCUASFM-NSCUHMNNSA-N 0 0 194.209 1.923 10 0 ADAERN Oc1cccc(NC2CCOCC2)c1 36304494 171060648 /nfs/dbraw/zinc/06/06/48/171060648.db2.gz GMLZSXQUEAOKDO-UHFFFAOYSA-N 0 0 193.246 1.983 10 0 ADAERN C=CC(=O)N(C)C(C)C 36334096 171060690 /nfs/dbraw/zinc/06/06/90/171060690.db2.gz COYVWKMZTCAFHO-UHFFFAOYSA-N 0 0 127.187 1.039 10 0 ADAERN C=CC(=O)N(C)[C@H](C)CC 36334839 171060744 /nfs/dbraw/zinc/06/07/44/171060744.db2.gz WJZKJIRGNABOKB-SSDOTTSWSA-N 0 0 141.214 1.429 10 0 ADAERN Nc1c(-c2ccccc2)cc[nH]c1=O 36379125 171060800 /nfs/dbraw/zinc/06/08/00/171060800.db2.gz SHOWBJXXDVBOCB-UHFFFAOYSA-N 0 0 186.214 1.624 10 0 ADAERN C=CC(=O)N(C)[C@@H]1CCSC1 36334847 171060830 /nfs/dbraw/zinc/06/08/30/171060830.db2.gz IAWOVKJPFOEFFH-SSDOTTSWSA-N 0 0 171.265 1.136 10 0 ADAERN NC(=O)c1ccc(O)c2ncccc12 36381410 171060849 /nfs/dbraw/zinc/06/08/49/171060849.db2.gz ISAQXCNAMABTJT-UHFFFAOYSA-N 0 0 188.186 1.039 10 0 ADAERN O=c1oc2cccc(O)c2o1 36447909 171060864 /nfs/dbraw/zinc/06/08/64/171060864.db2.gz GUFBCFUTLOKYBX-UHFFFAOYSA-N 0 0 152.105 1.092 10 0 ADAERN C=CC(=O)N(C)C1CCCC1 36334834 171060896 /nfs/dbraw/zinc/06/08/96/171060896.db2.gz BISRKEFEBQIAEE-UHFFFAOYSA-N 0 0 153.225 1.573 10 0 ADAERN C=CC(=O)N(C)[C@@H](C)CC 36334840 171060913 /nfs/dbraw/zinc/06/09/13/171060913.db2.gz WJZKJIRGNABOKB-ZETCQYMHSA-N 0 0 141.214 1.429 10 0 ADAERN C/C=C/C(=O)Nc1ccccc1N 36277905 171060939 /nfs/dbraw/zinc/06/09/39/171060939.db2.gz PNKDRARHIZISRM-GORDUTHDSA-N 0 0 176.219 1.783 10 0 ADAERN C=C=CCCCCO 36437472 171060947 /nfs/dbraw/zinc/06/09/47/171060947.db2.gz CCVUUCPBJQLBRE-UHFFFAOYSA-N 0 0 112.172 1.490 10 0 ADAERN CC1(C)O[C@H]2C=CC=C[C@@H]2O1 36419745 171060953 /nfs/dbraw/zinc/06/09/53/171060953.db2.gz XLRDXQUMUWLWAY-YUMQZZPRSA-N 0 0 152.193 1.633 10 0 ADAERN C=CC(=O)N(C)[C@H]1CCSC1 36334848 171060973 /nfs/dbraw/zinc/06/09/73/171060973.db2.gz IAWOVKJPFOEFFH-ZETCQYMHSA-N 0 0 171.265 1.136 10 0 ADAERN CC1(C)O[C@@H]2C=CC=C[C@H]2O1 36419746 171060984 /nfs/dbraw/zinc/06/09/84/171060984.db2.gz XLRDXQUMUWLWAY-HTQZYQBOSA-N 0 0 152.193 1.633 10 0 ADAERN Nc1c(-c2ccncc2)cc[nH]c1=O 36379124 171060996 /nfs/dbraw/zinc/06/09/96/171060996.db2.gz FZLYJYHXBGWNRT-UHFFFAOYSA-N 0 0 187.202 1.019 10 0 ADAERN C=CC(=O)N(C)CC(C)C 36334838 171061026 /nfs/dbraw/zinc/06/10/26/171061026.db2.gz GSDIDNBBKVEFAZ-UHFFFAOYSA-N 0 0 141.214 1.287 10 0 ADAERN Cc1ccccc1[C@@H](N)c1ncon1 36761931 171061241 /nfs/dbraw/zinc/06/12/41/171061241.db2.gz SGEYEHSDKZWXOB-SECBINFHSA-N 0 0 189.218 1.426 10 0 ADAERN COCC(=O)C(C)(C)C 36455584 171061274 /nfs/dbraw/zinc/06/12/74/171061274.db2.gz YZSAZJVRYZKHLX-UHFFFAOYSA-N 0 0 130.187 1.248 10 0 ADAERN CC(=O)OC1(N=O)CCCCC1 36471452 171061344 /nfs/dbraw/zinc/06/13/44/171061344.db2.gz GOPUAEYNVWXBPR-UHFFFAOYSA-N 0 0 171.196 1.976 10 0 ADAERN OCCSCC1CC1 36765598 171061356 /nfs/dbraw/zinc/06/13/56/171061356.db2.gz HSUBZKLAJCEKLG-UHFFFAOYSA-N 0 0 132.228 1.122 10 0 ADAERN Cc1ccccc1[C@H](N)c1ncon1 36761930 171061363 /nfs/dbraw/zinc/06/13/63/171061363.db2.gz SGEYEHSDKZWXOB-VIFPVBQESA-N 0 0 189.218 1.426 10 0 ADAERN O=C1NC(=O)[C@@H](CC2CCCCC2)N1 36466941 171061368 /nfs/dbraw/zinc/06/13/68/171061368.db2.gz JLMOTEMRNVWPED-MRVPVSSYSA-N 0 0 196.250 1.165 10 0 ADAERN COC(=O)[C@H]1CC[C@H](C(C)=O)C1 36466480 171061426 /nfs/dbraw/zinc/06/14/26/171061426.db2.gz WPNZZNWTLVFRAC-YUMQZZPRSA-N 0 0 170.208 1.165 10 0 ADAERN O=C([O-])C[NH2+][C@H]1CCc2ccccc21 36723110 171061449 /nfs/dbraw/zinc/06/14/49/171061449.db2.gz MKFDYOISVJDNKS-JTQLQIEISA-N 0 0 191.230 1.348 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1C(N)=O 36458681 171061455 /nfs/dbraw/zinc/06/14/55/171061455.db2.gz XFTFZRUKVXDWEE-GJMOJQLCSA-N 0 0 155.241 1.544 10 0 ADAERN O=C([O-])C[NH2+][C@@H]1CCc2ccccc21 36723112 171061528 /nfs/dbraw/zinc/06/15/28/171061528.db2.gz MKFDYOISVJDNKS-SNVBAGLBSA-N 0 0 191.230 1.348 10 0 ADAERN CC=CC(=O)Nc1c(C)n[nH]c1C 36734060 171061553 /nfs/dbraw/zinc/06/15/53/171061553.db2.gz AIIUOQBWNPKWOP-SNAWJCMRSA-N 0 0 179.223 1.541 10 0 ADAERN COC(=O)c1[nH]c2c(c1C)CCC2 36459030 171061573 /nfs/dbraw/zinc/06/15/73/171061573.db2.gz QKSRZIZMIHKPEK-UHFFFAOYSA-N 0 0 179.219 1.598 10 0 ADAERN CC(=O)C(=O)N[C@H](C)c1ccccc1 36459307 171061581 /nfs/dbraw/zinc/06/15/81/171061581.db2.gz CLVUSQHCRYUHIP-MRVPVSSYSA-N 0 0 191.230 1.453 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H](C(C)=O)C1 36466481 171061585 /nfs/dbraw/zinc/06/15/85/171061585.db2.gz WPNZZNWTLVFRAC-HTQZYQBOSA-N 0 0 170.208 1.165 10 0 ADAERN CC(=O)C(=O)N[C@@H](C)c1ccccc1 36459306 171061661 /nfs/dbraw/zinc/06/16/61/171061661.db2.gz CLVUSQHCRYUHIP-QMMMGPOBSA-N 0 0 191.230 1.453 10 0 ADAERN COC(=O)[C@@H]1CC[C@H](C(C)=O)C1 36466482 171061662 /nfs/dbraw/zinc/06/16/62/171061662.db2.gz WPNZZNWTLVFRAC-JGVFFNPUSA-N 0 0 170.208 1.165 10 0 ADAERN C/C=C\NC(=O)c1ccccc1 36455821 171061710 /nfs/dbraw/zinc/06/17/10/171061710.db2.gz SWNCMTHLZLFVEB-WAPJZHGLSA-N 0 0 161.204 1.950 10 0 ADAERN COC(=O)[C@H]1CC[C@@H](C(C)=O)C1 36466479 171061727 /nfs/dbraw/zinc/06/17/27/171061727.db2.gz WPNZZNWTLVFRAC-SFYZADRCSA-N 0 0 170.208 1.165 10 0 ADAERN CC(=O)CCCC[C@@H](C)O 36466194 171061740 /nfs/dbraw/zinc/06/17/40/171061740.db2.gz RPPGNWNXIDPXHR-SSDOTTSWSA-N 0 0 144.214 1.517 10 0 ADAERN Nc1c(C=O)oc2ccccc12 36458760 171061750 /nfs/dbraw/zinc/06/17/50/171061750.db2.gz BTUVZABWGHCEMW-UHFFFAOYSA-N 0 0 161.160 1.828 10 0 ADAERN CC(=O)C[C@@H](O)CC(C)C 36477315 171061800 /nfs/dbraw/zinc/06/18/00/171061800.db2.gz ZVJYRWZHXCWWPC-QMMMGPOBSA-N 0 0 144.214 1.373 10 0 ADAERN Oc1cccc(NCc2cc[nH]n2)c1 36900252 171061925 /nfs/dbraw/zinc/06/19/25/171061925.db2.gz ZJMBSYMFXMDXHH-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN CC(C)(C)C(=O)Cc1ncc[nH]1 36946620 171061960 /nfs/dbraw/zinc/06/19/60/171061960.db2.gz ANXWYPGHERQJJA-UHFFFAOYSA-N 0 0 166.224 1.567 10 0 ADAERN NC(=S)N1CCC[C@H]2CCCC[C@@H]21 36826828 171061990 /nfs/dbraw/zinc/06/19/90/171061990.db2.gz YIIROTOMZHCGGQ-BDAKNGLRSA-N 0 0 198.335 1.885 10 0 ADAERN NC(=S)N1CCC[C@@H]2CCCC[C@@H]21 36826826 171062014 /nfs/dbraw/zinc/06/20/14/171062014.db2.gz YIIROTOMZHCGGQ-IUCAKERBSA-N 0 0 198.335 1.885 10 0 ADAERN CCNc1ccc(C(N)=S)cc1F 36887114 171062016 /nfs/dbraw/zinc/06/20/16/171062016.db2.gz URSGDAOPRZTWGS-UHFFFAOYSA-N 0 0 198.266 1.892 10 0 ADAERN Oc1cccc(OC[C@@H]2CCCO2)c1 36896941 171062093 /nfs/dbraw/zinc/06/20/93/171062093.db2.gz ISYXPOLREDRXPF-NSHDSACASA-N 0 0 194.230 1.950 10 0 ADAERN NC(=S)N1CC[C@@H]2CCCC[C@H]2C1 36809809 171062105 /nfs/dbraw/zinc/06/21/05/171062105.db2.gz GQZHLKMCLKGKRD-IUCAKERBSA-N 0 0 198.335 1.742 10 0 ADAERN CCCOC(=O)C(F)(F)Cl 36878487 171062145 /nfs/dbraw/zinc/06/21/45/171062145.db2.gz FHUCWLJIOJMZHA-UHFFFAOYSA-N 0 0 172.558 1.771 10 0 ADAERN CC(C)C(=O)Cc1ncc[nH]1 36946619 171062231 /nfs/dbraw/zinc/06/22/31/171062231.db2.gz MEERGUVOLYFMSF-UHFFFAOYSA-N 0 0 152.197 1.177 10 0 ADAERN CC(C)(C)C(=O)Cn1ccc(N)n1 67799308 171062319 /nfs/dbraw/zinc/06/23/19/171062319.db2.gz DVYRUBOCOCDKHU-UHFFFAOYSA-N 0 0 181.239 1.081 10 0 ADAERN NC(=S)N1CCC[C@H]2CCCC[C@H]21 36826827 171062325 /nfs/dbraw/zinc/06/23/25/171062325.db2.gz YIIROTOMZHCGGQ-RKDXNWHRSA-N 0 0 198.335 1.885 10 0 ADAERN NC(=S)N1CCC[C@@H]2CCCC[C@H]21 36826825 171062328 /nfs/dbraw/zinc/06/23/28/171062328.db2.gz YIIROTOMZHCGGQ-DTWKUNHWSA-N 0 0 198.335 1.885 10 0 ADAERN CCCc1nn(C)c(Cl)c1CO 36930189 171062330 /nfs/dbraw/zinc/06/23/30/171062330.db2.gz XOUKHKJCSXRYMH-UHFFFAOYSA-N 0 0 188.658 1.518 10 0 ADAERN CNc1ccc(C(N)=S)cc1F 36887112 171062338 /nfs/dbraw/zinc/06/23/38/171062338.db2.gz UOPIATHQPMOPKI-UHFFFAOYSA-N 0 0 184.239 1.502 10 0 ADAERN NC(=S)N1CC[C@@H]2CCCC[C@@H]2C1 36809808 171062414 /nfs/dbraw/zinc/06/24/14/171062414.db2.gz GQZHLKMCLKGKRD-DTWKUNHWSA-N 0 0 198.335 1.742 10 0 ADAERN NC(=S)c1ccc(N)c(F)c1 36887283 171062422 /nfs/dbraw/zinc/06/24/22/171062422.db2.gz MCOOFNSZNPOSNQ-UHFFFAOYSA-N 0 0 170.212 1.042 10 0 ADAERN Oc1cccc(OC[C@H]2CCCO2)c1 36896942 171062484 /nfs/dbraw/zinc/06/24/84/171062484.db2.gz ISYXPOLREDRXPF-LLVKDONJSA-N 0 0 194.230 1.950 10 0 ADAERN NC(=S)N1CC[C@H]2CCCC[C@@H]2C1 36809810 171062583 /nfs/dbraw/zinc/06/25/83/171062583.db2.gz GQZHLKMCLKGKRD-RKDXNWHRSA-N 0 0 198.335 1.742 10 0 ADAERN CCCCc1[nH]nc(N)c1CC 36916152 171062592 /nfs/dbraw/zinc/06/25/92/171062592.db2.gz YSQFPFQBLCQSCT-UHFFFAOYSA-N 0 0 167.256 1.897 10 0 ADAERN Oc1ccc(NC[C@@H]2CCOC2)cc1 37132149 171062851 /nfs/dbraw/zinc/06/28/51/171062851.db2.gz NNQLCKMVGPMXFI-VIFPVBQESA-N 0 0 193.246 1.841 10 0 ADAERN CCNc1ccc(CC(=O)NC)cc1 37047013 171062856 /nfs/dbraw/zinc/06/28/56/171062856.db2.gz ZYBWLLMNVDQKLO-UHFFFAOYSA-N 0 0 192.262 1.407 10 0 ADAERN CNc1ccc(N)c(OCC2CC2)n1 37066734 171062858 /nfs/dbraw/zinc/06/28/58/171062858.db2.gz HAQIIUIFHWODGV-UHFFFAOYSA-N 0 0 193.250 1.494 10 0 ADAERN CCNc1ccc(CC(N)=O)cc1 37075001 171062866 /nfs/dbraw/zinc/06/28/66/171062866.db2.gz JFDCWLLCHZEXKH-UHFFFAOYSA-N 0 0 178.235 1.146 10 0 ADAERN CC(C)(C)C(=O)Cn1cc(N)cn1 67801408 171062879 /nfs/dbraw/zinc/06/28/79/171062879.db2.gz XPPCGROYJOVVLY-UHFFFAOYSA-N 0 0 181.239 1.081 10 0 ADAERN Cc1ccccc1NC[C@H](C)C(N)=O 37227380 171062884 /nfs/dbraw/zinc/06/28/84/171062884.db2.gz BICMDLCVTBOFJS-VIFPVBQESA-N 0 0 192.262 1.528 10 0 ADAERN C[C@@H]1OC(C)(C)CC1=O 38888382 171062886 /nfs/dbraw/zinc/06/28/86/171062886.db2.gz IPVABZOEFKUFHY-YFKPBYRVSA-N 0 0 128.171 1.143 10 0 ADAERN O=C([O-])C1([NH2+]C2CC2)CCCC1 37183420 171062921 /nfs/dbraw/zinc/06/29/21/171062921.db2.gz XIXPECXFTTWDMO-UHFFFAOYSA-N 0 0 169.224 1.136 10 0 ADAERN Oc1ccc(NC2CCOCC2)cc1 37131783 171062924 /nfs/dbraw/zinc/06/29/24/171062924.db2.gz IYULUGLJHIRRAN-UHFFFAOYSA-N 0 0 193.246 1.983 10 0 ADAERN Oc1ccc(NC[C@H]2CCOC2)cc1 37132150 171062932 /nfs/dbraw/zinc/06/29/32/171062932.db2.gz NNQLCKMVGPMXFI-SECBINFHSA-N 0 0 193.246 1.841 10 0 ADAERN CNc1ccc(N)c(OCC(C)C)n1 37066733 171062958 /nfs/dbraw/zinc/06/29/58/171062958.db2.gz YQBDIGZSWCXLIO-UHFFFAOYSA-N 0 0 195.266 1.740 10 0 ADAERN CNc1ccc(N)c(OC(C)(C)C)n1 37066732 171062972 /nfs/dbraw/zinc/06/29/72/171062972.db2.gz IAKYODAZJSISQO-UHFFFAOYSA-N 0 0 195.266 1.883 10 0 ADAERN Oc1ccc(NCc2cc[nH]n2)cc1 37132200 171062987 /nfs/dbraw/zinc/06/29/87/171062987.db2.gz RYVZRMVZVCZCEE-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN Cc1ccccc1NC[C@@H](C)C(N)=O 37227379 171063114 /nfs/dbraw/zinc/06/31/14/171063114.db2.gz BICMDLCVTBOFJS-SECBINFHSA-N 0 0 192.262 1.528 10 0 ADAERN O=C([O-])C1([NH2+]C2CC2)CCCCC1 37183499 171063136 /nfs/dbraw/zinc/06/31/36/171063136.db2.gz GMXJXAKIMRACJQ-UHFFFAOYSA-N 0 0 183.251 1.526 10 0 ADAERN COc1[nH]c(=S)ccc1N 37181211 171063147 /nfs/dbraw/zinc/06/31/47/171063147.db2.gz YWYFNRLPBMOFSY-UHFFFAOYSA-N 0 0 156.210 1.335 10 0 ADAERN O=C([O-])C1([NH2+]C2CC2)CCCCCC1 37183407 171063152 /nfs/dbraw/zinc/06/31/52/171063152.db2.gz FOALHFHXRHRYGZ-UHFFFAOYSA-N 0 0 197.278 1.916 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])C(C)(C)C 70821830 171063306 /nfs/dbraw/zinc/06/33/06/171063306.db2.gz RLTVPCHBWNTSLS-ZETCQYMHSA-N 0 0 173.256 1.437 10 0 ADAERN CC(C)(C)[C@@H](CC(=O)[O-])[NH+]1CCCC1 70821511 171063398 /nfs/dbraw/zinc/06/33/98/171063398.db2.gz VAEUZESHDDXMLP-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Nc1ccc(N)c(OCC2CC2)n1 37068034 171063430 /nfs/dbraw/zinc/06/34/30/171063430.db2.gz USAITUSNUZBDAF-UHFFFAOYSA-N 0 0 179.223 1.035 10 0 ADAERN Cc1ccc2[nH]c(NC#N)nc2c1 38888546 171063449 /nfs/dbraw/zinc/06/34/49/171063449.db2.gz NRYMFEAVHMEJKW-UHFFFAOYSA-N 0 0 172.191 1.764 10 0 ADAERN O[C@@H](C1CCCC1)C1CC1 37465558 171063847 /nfs/dbraw/zinc/06/38/47/171063847.db2.gz JUWVNVDAEQLWJU-VIFPVBQESA-N 0 0 140.226 1.948 10 0 ADAERN OCCSc1nsnc1Cl 37372600 171063892 /nfs/dbraw/zinc/06/38/92/171063892.db2.gz LKGDTGGVZDHALQ-UHFFFAOYSA-N 0 0 196.684 1.276 10 0 ADAERN CC(=O)CCCOC(C)C 37329615 171063927 /nfs/dbraw/zinc/06/39/27/171063927.db2.gz QKGVQMNGERGISN-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN C[NH+](C)[C@@H](C(=O)[O-])C1CCCCC1 37358284 171063939 /nfs/dbraw/zinc/06/39/39/171063939.db2.gz JUSDIQNZNWSGSK-SECBINFHSA-N 0 0 185.267 1.582 10 0 ADAERN Oc1cccc2c1CC[C@@H]2O 37461713 171064069 /nfs/dbraw/zinc/06/40/69/171064069.db2.gz WMHPYZJGUKCADC-VIFPVBQESA-N 0 0 150.177 1.372 10 0 ADAERN CCSCC(=O)c1ccc[nH]1 37353163 171064074 /nfs/dbraw/zinc/06/40/74/171064074.db2.gz PLLDXQXZJAFGRY-UHFFFAOYSA-N 0 0 169.249 1.951 10 0 ADAERN C[NH+](C)[C@@H](C(=O)[O-])c1ccc(O)cc1 37358433 171064086 /nfs/dbraw/zinc/06/40/86/171064086.db2.gz IHBDSGZFZFGSGU-SECBINFHSA-N 0 0 195.218 1.080 10 0 ADAERN CCN1C(=O)CCN(C(C)C)C1=O 37386192 171064133 /nfs/dbraw/zinc/06/41/33/171064133.db2.gz AYUBXRVSJUWWLL-UHFFFAOYSA-N 0 0 184.239 1.069 10 0 ADAERN C[NH+](C)[C@@H](C(=O)[O-])c1cccc(O)c1 37358427 171064218 /nfs/dbraw/zinc/06/42/18/171064218.db2.gz CHJYHMOTGAUTEO-SECBINFHSA-N 0 0 195.218 1.080 10 0 ADAERN C[NH+](C)[C@@H](C(=O)[O-])[C@H]1CC=CCC1 37358505 171064283 /nfs/dbraw/zinc/06/42/83/171064283.db2.gz ZZUCHILXKDFFHA-DTWKUNHWSA-N 0 0 183.251 1.358 10 0 ADAERN Cc1ccccc1C(=O)CN(C)C 37333596 171064300 /nfs/dbraw/zinc/06/43/00/171064300.db2.gz LEBVQNSTZWNCLT-UHFFFAOYSA-N 0 0 177.247 1.739 10 0 ADAERN C[NH+](C)[C@@H](C(=O)[O-])[C@@H]1CC=CCC1 37358512 171064337 /nfs/dbraw/zinc/06/43/37/171064337.db2.gz ZZUCHILXKDFFHA-RKDXNWHRSA-N 0 0 183.251 1.358 10 0 ADAERN Oc1cccc2c1CC[C@H]2O 37461714 171064340 /nfs/dbraw/zinc/06/43/40/171064340.db2.gz WMHPYZJGUKCADC-SECBINFHSA-N 0 0 150.177 1.372 10 0 ADAERN COc1ccccc1C1CC(O)C1 37461715 171064360 /nfs/dbraw/zinc/06/43/60/171064360.db2.gz SYXRATGILBQEND-UHFFFAOYSA-N 0 0 178.231 1.934 10 0 ADAERN O=C([O-])C1([NH+]2CCCCC2)CCCC1 37361767 171064361 /nfs/dbraw/zinc/06/43/61/171064361.db2.gz UGWGJFMFJQLQPH-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN CC(C)c1ccnc(CNC2CC2)n1 70951980 171064392 /nfs/dbraw/zinc/06/43/92/171064392.db2.gz MPSMNNGOBJOEBN-UHFFFAOYSA-N 0 0 191.278 1.852 10 0 ADAERN C[C@@H]1CN=C(Nc2ccn(C)n2)S1 37471988 171064575 /nfs/dbraw/zinc/06/45/75/171064575.db2.gz OCKNNNGRXGQYNV-ZCFIWIBFSA-N 0 0 196.279 1.323 10 0 ADAERN CC(=O)Nc1c(N)ccc(C)c1C 37504163 171064605 /nfs/dbraw/zinc/06/46/05/171064605.db2.gz HQCSJRDLURUJHP-UHFFFAOYSA-N 0 0 178.235 1.844 10 0 ADAERN C=C=CC1=C(C)C(=O)O[C@H]1C 39049904 171064768 /nfs/dbraw/zinc/06/47/68/171064768.db2.gz HYDUXYWRIMFLJL-ZETCQYMHSA-N 0 0 150.177 1.589 10 0 ADAERN c1cnc2c(c1)O2 39051146 171064856 /nfs/dbraw/zinc/06/48/56/171064856.db2.gz CXVSULTXGLIXRN-UHFFFAOYSA-N 0 0 93.085 1.187 10 0 ADAERN [O-][n+]1cccc(-c2cccnc2)c1 37626006 171064903 /nfs/dbraw/zinc/06/49/03/171064903.db2.gz XYTGGOOIYSHNGQ-UHFFFAOYSA-N 0 0 172.187 1.382 10 0 ADAERN Cc1ccnc(/C=C/CO)c1 39051838 171064962 /nfs/dbraw/zinc/06/49/62/171064962.db2.gz CPYBTNSIXYWQDY-NSCUHMNNSA-N 0 0 149.193 1.396 10 0 ADAERN CC(C)(O)CC[C@@H]1CCCO1 37625462 171064989 /nfs/dbraw/zinc/06/49/89/171064989.db2.gz MYTFVZSILAQNAW-QMMMGPOBSA-N 0 0 158.241 1.717 10 0 ADAERN CC(C)(O)CC[C@H]1CCCO1 37625463 171065001 /nfs/dbraw/zinc/06/50/01/171065001.db2.gz MYTFVZSILAQNAW-MRVPVSSYSA-N 0 0 158.241 1.717 10 0 ADAERN CCN1C(=O)CCN(C(C)(C)C)C1=O 37475258 171065006 /nfs/dbraw/zinc/06/50/06/171065006.db2.gz DPNCXXIJGOCUNG-UHFFFAOYSA-N 0 0 198.266 1.459 10 0 ADAERN CCN1C(=O)CCCN(C(C)C)C1=O 37475240 171065095 /nfs/dbraw/zinc/06/50/95/171065095.db2.gz ADBVLJVFMJXKGK-UHFFFAOYSA-N 0 0 198.266 1.459 10 0 ADAERN Nc1ccc(F)cc1-c1nnco1 37669364 171065182 /nfs/dbraw/zinc/06/51/82/171065182.db2.gz IWPNTADBIFEFDH-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN CC(=O)C[C@@H]1O[C@H](C)CC(C)(C)O1 37633918 171065245 /nfs/dbraw/zinc/06/52/45/171065245.db2.gz PCISQLBZZRSLFQ-RKDXNWHRSA-N 0 0 186.251 1.896 10 0 ADAERN N#COCc1cccnc1 39050736 171065355 /nfs/dbraw/zinc/06/53/55/171065355.db2.gz FQTASAVEFVFJLR-UHFFFAOYSA-N 0 0 134.138 1.079 10 0 ADAERN NC(=S)NCCC1CCCC1 37741337 171065391 /nfs/dbraw/zinc/06/53/91/171065391.db2.gz FSWIYUKDTDRAHM-UHFFFAOYSA-N 0 0 172.297 1.400 10 0 ADAERN CCSCC(C)(C)O 37697118 171065595 /nfs/dbraw/zinc/06/55/95/171065595.db2.gz PONRUFZSKGVYLF-UHFFFAOYSA-N 0 0 134.244 1.510 10 0 ADAERN CC(=O)C[C@@H]1O[C@@H](C)CC(C)(C)O1 37633920 171065652 /nfs/dbraw/zinc/06/56/52/171065652.db2.gz PCISQLBZZRSLFQ-DTWKUNHWSA-N 0 0 186.251 1.896 10 0 ADAERN C=Cc1cc(O)cnc1F 39050832 171065770 /nfs/dbraw/zinc/06/57/70/171065770.db2.gz MPOSXFPVGBOHFE-UHFFFAOYSA-N 0 0 139.129 1.569 10 0 ADAERN CNc1ccc(C(N)=S)cc1C 37733497 171065843 /nfs/dbraw/zinc/06/58/43/171065843.db2.gz MTYGPPGBAGJVPH-UHFFFAOYSA-N 0 0 180.276 1.671 10 0 ADAERN C=Cc1cc(N)cnc1F 39050836 171065855 /nfs/dbraw/zinc/06/58/55/171065855.db2.gz LXQKWZGYVBBNMF-UHFFFAOYSA-N 0 0 138.145 1.446 10 0 ADAERN CC(C)(C)C(=O)C(N)=C(O)C(C)(C)C 73370349 171066203 /nfs/dbraw/zinc/06/62/03/171066203.db2.gz IXPNYTNGVLSTHW-UHFFFAOYSA-N 0 0 199.294 1.544 10 0 ADAERN CC/C=C/Cc1noc(CN)n1 73640766 171066285 /nfs/dbraw/zinc/06/62/85/171066285.db2.gz VMEPUXIPJKEBEL-ONEGZZNKSA-N 0 0 167.212 1.037 10 0 ADAERN O[C@@H](C[C@@H]1CCCO1)c1cccnc1 37761669 171066368 /nfs/dbraw/zinc/06/63/68/171066368.db2.gz MTVLCZNFGSIBTK-QWRGUYRKSA-N 0 0 193.246 1.684 10 0 ADAERN Clc1nc(-c2ccccn2)no1 37926775 171066377 /nfs/dbraw/zinc/06/63/77/171066377.db2.gz GKAMOWXCYRVXKZ-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN O=c1[nH]cc(Cl)c2ncncc12 73738986 171066416 /nfs/dbraw/zinc/06/64/16/171066416.db2.gz KIGGWEHIEGUSJI-UHFFFAOYSA-N 0 0 181.582 1.384 10 0 ADAERN Clc1nc(-c2ccncc2)no1 37926770 171066429 /nfs/dbraw/zinc/06/64/29/171066429.db2.gz UHNRJPBCYRFFQH-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN Clc1nc(-c2ccco2)no1 37926912 171066546 /nfs/dbraw/zinc/06/65/46/171066546.db2.gz BSWNREODKIUXTL-UHFFFAOYSA-N 0 0 170.555 1.983 10 0 ADAERN C=CC(=O)N(C)CC1CC1 37832327 171066573 /nfs/dbraw/zinc/06/65/73/171066573.db2.gz GGBSNNIKSFTTJI-UHFFFAOYSA-N 0 0 139.198 1.041 10 0 ADAERN Clc1nc(-c2cccnc2)no1 37926771 171066588 /nfs/dbraw/zinc/06/65/88/171066588.db2.gz GFJRADVGCSKCSD-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN CCSC(=S)NC1CC1 73733811 171066673 /nfs/dbraw/zinc/06/66/73/171066673.db2.gz FNTWNIMYXUSECB-UHFFFAOYSA-N 0 0 161.295 1.776 10 0 ADAERN Clc1nc(-c2ncccn2)no1 37926784 171066746 /nfs/dbraw/zinc/06/67/46/171066746.db2.gz GZRBWMVJSQDUAK-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN Clc1nc(-c2cnccn2)no1 37926790 171066780 /nfs/dbraw/zinc/06/67/80/171066780.db2.gz PWFPEHZALBXGBW-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN Cc1ccccc1NC(C)(C)C(N)=O 37942078 171066963 /nfs/dbraw/zinc/06/69/63/171066963.db2.gz INLRXVLNVLEMJY-UHFFFAOYSA-N 0 0 192.262 1.671 10 0 ADAERN CC1(C)CO[C@@H]1C(=O)C(F)(F)F 39054950 171067013 /nfs/dbraw/zinc/06/70/13/171067013.db2.gz GDBDPZPIVVFGCD-RXMQYKEDSA-N 0 0 182.141 1.543 10 0 ADAERN O=C([O-])C1([NH2+]C2CCCC2)CCCC1 37968768 171067125 /nfs/dbraw/zinc/06/71/25/171067125.db2.gz NAGNGGFPGNQAMN-UHFFFAOYSA-N 0 0 197.278 1.916 10 0 ADAERN CC1(C)CO[C@H]1C(=O)C(F)(F)F 39054951 171067179 /nfs/dbraw/zinc/06/71/79/171067179.db2.gz GDBDPZPIVVFGCD-YFKPBYRVSA-N 0 0 182.141 1.543 10 0 ADAERN CO[C@@H]1OCC[C@H]1C(=O)C(F)(F)F 39055226 171067235 /nfs/dbraw/zinc/06/72/35/171067235.db2.gz OCVBONPDRSJOQY-UJURSFKZSA-N 0 0 198.140 1.127 10 0 ADAERN O=Cc1cccc(C/C=C/CO)c1 75566496 171067280 /nfs/dbraw/zinc/06/72/80/171067280.db2.gz SUSKCLIXKLREJZ-OWOJBTEDSA-N 0 0 176.215 1.590 10 0 ADAERN CO[C@@H]1OCC[C@@H]1C(=O)C(F)(F)F 39055228 171067443 /nfs/dbraw/zinc/06/74/43/171067443.db2.gz OCVBONPDRSJOQY-INEUFUBQSA-N 0 0 198.140 1.127 10 0 ADAERN CCC/C=C1/CCCNC1=O 39059452 171067673 /nfs/dbraw/zinc/06/76/73/171067673.db2.gz TXXJRCFFNMBHND-YVMONPNESA-N 0 0 153.225 1.623 10 0 ADAERN C=Cc1c[nH]c(C(=O)OCC)n1 39058537 171067686 /nfs/dbraw/zinc/06/76/86/171067686.db2.gz XHCAXGFAOOXZAX-UHFFFAOYSA-N 0 0 166.180 1.229 10 0 ADAERN c1cnc(NCC[C@@H]2CCCO2)cn1 37987041 171067702 /nfs/dbraw/zinc/06/77/02/171067702.db2.gz COCCNCHBNJCHLP-VIFPVBQESA-N 0 0 193.250 1.458 10 0 ADAERN C=Cc1cc(C(=O)OC)n(C)c1 39058488 171067755 /nfs/dbraw/zinc/06/77/55/171067755.db2.gz SOMZYAUOXLOPIH-UHFFFAOYSA-N 0 0 165.192 1.455 10 0 ADAERN OC1([C@H]2CCCO2)CCCC1 39059797 171067799 /nfs/dbraw/zinc/06/77/99/171067799.db2.gz YRFBNNUJAYITGP-MRVPVSSYSA-N 0 0 156.225 1.471 10 0 ADAERN O=c1occ(Cl)nc1Cl 39058531 171067831 /nfs/dbraw/zinc/06/78/31/171067831.db2.gz UTUZKFRTJNBTJZ-UHFFFAOYSA-N 0 0 165.963 1.342 10 0 ADAERN c1cnc(NCC[C@H]2CCCO2)cn1 37987042 171067879 /nfs/dbraw/zinc/06/78/79/171067879.db2.gz COCCNCHBNJCHLP-SECBINFHSA-N 0 0 193.250 1.458 10 0 ADAERN c1cnc(NCC[C@@H]2CCCO2)nc1 37981296 171067914 /nfs/dbraw/zinc/06/79/14/171067914.db2.gz BOENLDFCVFWRQB-VIFPVBQESA-N 0 0 193.250 1.458 10 0 ADAERN Nc1ccc(Cc2cccnc2)cc1N 75601335 171068014 /nfs/dbraw/zinc/06/80/14/171068014.db2.gz ATAHVSGFRKXTFY-UHFFFAOYSA-N 0 0 199.257 1.837 10 0 ADAERN OC1([C@@H]2CCCO2)CCCC1 39059795 171068042 /nfs/dbraw/zinc/06/80/42/171068042.db2.gz YRFBNNUJAYITGP-QMMMGPOBSA-N 0 0 156.225 1.471 10 0 ADAERN COC/C=C1\OC(=O)C=C1C 39059530 171068061 /nfs/dbraw/zinc/06/80/61/171068061.db2.gz ZOXGLRXHQDWCBJ-CLTKARDFSA-N 0 0 154.165 1.020 10 0 ADAERN c1cnc(NCC[C@H]2CCCO2)nc1 37981297 171068077 /nfs/dbraw/zinc/06/80/77/171068077.db2.gz BOENLDFCVFWRQB-SECBINFHSA-N 0 0 193.250 1.458 10 0 ADAERN 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38233874 171068733 /nfs/dbraw/zinc/06/87/33/171068733.db2.gz XNUWSWGJOOHBNK-UHFFFAOYSA-N 0 0 135.166 1.481 10 0 ADAERN NC(=S)CCn1cc(Cl)cn1 38053547 171068736 /nfs/dbraw/zinc/06/87/36/171068736.db2.gz NWIRLQCLWHRTBT-UHFFFAOYSA-N 0 0 189.671 1.213 10 0 ADAERN COc1ccc(OC)c(/C=C/CO)c1 77295159 171068805 /nfs/dbraw/zinc/06/88/05/171068805.db2.gz KBNBPTXNQCVANU-ONEGZZNKSA-N 0 0 194.230 1.709 10 0 ADAERN COc1ccccc1N[C@H](C)CO 38118976 171068888 /nfs/dbraw/zinc/06/88/88/171068888.db2.gz ITESGWHKVXZADP-MRVPVSSYSA-N 0 0 181.235 1.488 10 0 ADAERN COc1ccccc1N[C@@H](C)CO 38118975 171068890 /nfs/dbraw/zinc/06/88/90/171068890.db2.gz ITESGWHKVXZADP-QMMMGPOBSA-N 0 0 181.235 1.488 10 0 ADAERN COC(/C=C\C1CC1)OC 38212570 171068896 /nfs/dbraw/zinc/06/88/96/171068896.db2.gz NKTIKJLVFCWHIQ-WAYWQWQTSA-N 0 0 142.198 1.572 10 0 ADAERN COc1ccc(N[C@H](C)CO)cc1 38112155 171068919 /nfs/dbraw/zinc/06/89/19/171068919.db2.gz DYJPUIQQBCIFLL-MRVPVSSYSA-N 0 0 181.235 1.488 10 0 ADAERN COC(=O)C1=C(O)[C@@H](C)CCC1 38350373 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/nfs/dbraw/zinc/07/00/54/171070054.db2.gz LXLKKJLCVZKKKX-UHFFFAOYSA-N 0 0 174.203 1.295 10 0 ADAERN O=Cc1ccc(CF)o1 38646897 171070104 /nfs/dbraw/zinc/07/01/04/171070104.db2.gz NWOKZDMHAXVEJJ-UHFFFAOYSA-N 0 0 128.102 1.562 10 0 ADAERN Cc1ccccc1OC(N)=O 38529492 171070114 /nfs/dbraw/zinc/07/01/14/171070114.db2.gz OFRDLTRRNSVEDK-UHFFFAOYSA-N 0 0 151.165 1.453 10 0 ADAERN O=c1nncc(-c2ccc(F)cc2)[nH]1 38541291 171070126 /nfs/dbraw/zinc/07/01/26/171070126.db2.gz FROJMNJWKVERNS-UHFFFAOYSA-N 0 0 191.165 1.383 10 0 ADAERN O=c1oc(CO)cc2ccccc12 38523244 171070173 /nfs/dbraw/zinc/07/01/73/171070173.db2.gz DZISGMCWORFTOS-UHFFFAOYSA-N 0 0 176.171 1.285 10 0 ADAERN CC(=O)Nc1cccc(N)c1F 38540045 171070192 /nfs/dbraw/zinc/07/01/92/171070192.db2.gz DENWSTSHWFIZMZ-UHFFFAOYSA-N 0 0 168.171 1.366 10 0 ADAERN [NH3+]CC1(CS(=O)[O-])CCCCC1 38600501 171070217 /nfs/dbraw/zinc/07/02/17/171070217.db2.gz HJOPITXJYDHFDF-UHFFFAOYSA-N 0 0 191.296 1.117 10 0 ADAERN CC(=O)C[C@@H]1CC[C@H]2O[C@@H]12 38948698 171070365 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171074974 /nfs/dbraw/zinc/07/49/74/171074974.db2.gz NXJGCBBUBBIDJU-PHDIDXHHSA-N 0 0 173.212 1.113 10 0 ADAERN COC1=CC[C@H](OC)N=C1SC 39090293 171074996 /nfs/dbraw/zinc/07/49/96/171074996.db2.gz NFDZJJUSZZVHDC-ZETCQYMHSA-N 0 0 187.264 1.654 10 0 ADAERN COC1=NC=CNc2ccccc21 196380453 171075021 /nfs/dbraw/zinc/07/50/21/171075021.db2.gz ALFIJEWPVDEIKE-UHFFFAOYSA-N 0 0 174.203 1.976 10 0 ADAERN COc1ccccc1C(=O)CCO 39090072 171075042 /nfs/dbraw/zinc/07/50/42/171075042.db2.gz XZDAAYHFCYVXNB-UHFFFAOYSA-N 0 0 180.203 1.260 10 0 ADAERN CC(C)c1ccn(C[C@@H](C)O)n1 39104234 171075054 /nfs/dbraw/zinc/07/50/54/171075054.db2.gz UELTVNXYOJIZBR-MRVPVSSYSA-N 0 0 168.240 1.387 10 0 ADAERN COC1=CCc2c(N)cccc2C1 39089917 171075072 /nfs/dbraw/zinc/07/50/72/171075072.db2.gz KCWDJYZWNMPXHQ-UHFFFAOYSA-N 0 0 175.231 1.898 10 0 ADAERN CC(C)c1ccccc(N)c1=O 39103889 171075102 /nfs/dbraw/zinc/07/51/02/171075102.db2.gz QLCPLKWWKVCCOZ-UHFFFAOYSA-N 0 0 163.220 1.752 10 0 ADAERN COC1=C[C@@H](C(C)C)OC1=O 39103451 171075117 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/nfs/dbraw/zinc/07/53/73/171075373.db2.gz JXZDQGDFKXEFOF-ZETCQYMHSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@@H]1CNC(=O)C12CCCC2 39111608 171075376 /nfs/dbraw/zinc/07/53/76/171075376.db2.gz JXZDQGDFKXEFOF-SSDOTTSWSA-N 0 0 153.225 1.313 10 0 ADAERN CC(=O)C[C@@H]1CCC(=O)[C@H]1C 39111647 171075504 /nfs/dbraw/zinc/07/55/04/171075504.db2.gz AYTBRGTVZZAACL-YUMQZZPRSA-N 0 0 154.209 1.581 10 0 ADAERN OCC1(CO)[C@@]23C=CC=C[C@@]12CCC3 39112265 171075518 /nfs/dbraw/zinc/07/55/18/171075518.db2.gz CMAZSIVASSVBHY-PHIMTYICSA-N 0 0 192.258 1.254 10 0 ADAERN CCOC(=O)CSc1cccnc1 39117072 171075529 /nfs/dbraw/zinc/07/55/29/171075529.db2.gz LZENCCPNGMCVCS-UHFFFAOYSA-N 0 0 197.259 1.737 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]1C 39117629 171075544 /nfs/dbraw/zinc/07/55/44/171075544.db2.gz IPLXTRMYBBOEKU-PHDIDXHHSA-N 0 0 128.171 1.206 10 0 ADAERN COC(=O)[C@H]1CC[C@H]1C 39117654 171075562 /nfs/dbraw/zinc/07/55/62/171075562.db2.gz IPLXTRMYBBOEKU-RITPCOANSA-N 0 0 128.171 1.206 10 0 ADAERN O=c1[nH]c(=S)[nH]nc1C1CCCC1 39112581 171075577 /nfs/dbraw/zinc/07/55/77/171075577.db2.gz KJDIICUPWKWNQE-UHFFFAOYSA-N 0 0 197.263 1.897 10 0 ADAERN CC(=O)c1ccc(C)n1C 39068799 171075615 /nfs/dbraw/zinc/07/56/15/171075615.db2.gz BOMRWYWTTXXRQX-UHFFFAOYSA-N 0 0 137.182 1.536 10 0 ADAERN CC(=O)CCCC1(C)N=N1 39069055 171075675 /nfs/dbraw/zinc/07/56/75/171075675.db2.gz QAXHITIBTRUUFZ-UHFFFAOYSA-N 0 0 140.186 1.928 10 0 ADAERN c1cnc2c(c1)NCc1cccn1-2 39113733 171075735 /nfs/dbraw/zinc/07/57/35/171075735.db2.gz GHCATZPIRFXKIS-UHFFFAOYSA-N 0 0 171.203 1.798 10 0 ADAERN OC1(C2=CCCO2)CCCCC1 39116331 171075742 /nfs/dbraw/zinc/07/57/42/171075742.db2.gz RBHZZJFXNUPLLB-UHFFFAOYSA-N 0 0 168.236 1.986 10 0 ADAERN n1oc2oc3noc4oc1c2c34 39113165 171075747 /nfs/dbraw/zinc/07/57/47/171075747.db2.gz RWILJXRIFDFVRI-UHFFFAOYSA-N 0 0 164.076 1.746 10 0 ADAERN O=c1[nH]oc2ncc(Cl)cc12 39113348 171075753 /nfs/dbraw/zinc/07/57/53/171075753.db2.gz WJOKFKUXLYTYPC-UHFFFAOYSA-N 0 0 170.555 1.582 10 0 ADAERN Oc1cc(=S)cc[nH]1 39116692 171075801 /nfs/dbraw/zinc/07/58/01/171075801.db2.gz WLHGWRDIQABYLV-UHFFFAOYSA-N 0 0 127.168 1.450 10 0 ADAERN COc1ccc2c(C)noc2n1 39113175 171075813 /nfs/dbraw/zinc/07/58/13/171075813.db2.gz ZUNMFBJOEFSWBU-UHFFFAOYSA-N 0 0 164.164 1.540 10 0 ADAERN COC1=CCCC[C@H]1O 39119311 171075947 /nfs/dbraw/zinc/07/59/47/171075947.db2.gz GYWJATJLCFDJBN-ZCFIWIBFSA-N 0 0 128.171 1.062 10 0 ADAERN COC(=O)[C@H]1CC[C@@H]1C 39117722 171075950 /nfs/dbraw/zinc/07/59/50/171075950.db2.gz IPLXTRMYBBOEKU-WDSKDSINSA-N 0 0 128.171 1.206 10 0 ADAERN CN(C)c1cnc2cc(N)ccc2n1 39117940 171075953 /nfs/dbraw/zinc/07/59/53/171075953.db2.gz MJUYCISLWSCLKL-UHFFFAOYSA-N 0 0 188.234 1.278 10 0 ADAERN C=Cc1cc(C=O)oc1C=O 39124102 171075963 /nfs/dbraw/zinc/07/59/63/171075963.db2.gz ZEVTXNAYSSLCHT-UHFFFAOYSA-N 0 0 150.133 1.548 10 0 ADAERN NC(=S)N(CC1CC1)C1CC1 39124669 171075995 /nfs/dbraw/zinc/07/59/95/171075995.db2.gz ILNYSTIMWCRPQI-UHFFFAOYSA-N 0 0 170.281 1.104 10 0 ADAERN CC(=O)Nc1c(F)cc(O)cc1F 39126358 171076014 /nfs/dbraw/zinc/07/60/14/171076014.db2.gz IOXMXXUGNMPSLL-UHFFFAOYSA-N 0 0 187.145 1.629 10 0 ADAERN NC(=O)c1csc2ccncc12 39123457 171076024 /nfs/dbraw/zinc/07/60/24/171076024.db2.gz DMIJTOZTVCGQDB-UHFFFAOYSA-N 0 0 178.216 1.395 10 0 ADAERN NNc1ccc(O)c(Cl)c1 39129687 171076040 /nfs/dbraw/zinc/07/60/40/171076040.db2.gz JVGPNAUCOPHMSN-UHFFFAOYSA-N 0 0 158.588 1.331 10 0 ADAERN COc1ccc(OC)c(F)c1F 148025305 344046739 /nfs/dbraw/zinc/04/67/39/344046739.db2.gz WLCXXDDOQPRUGH-UHFFFAOYSA-N 0 0 174.146 1.982 10 0 ADAERN Nc1c(CO)cn2ccccc12 39121312 171076075 /nfs/dbraw/zinc/07/60/75/171076075.db2.gz ZUEYSYBONHJUNR-UHFFFAOYSA-N 0 0 162.192 1.014 10 0 ADAERN C[C@@H]1CCC(=O)C1=N 39118423 171076128 /nfs/dbraw/zinc/07/61/28/171076128.db2.gz WTKNZPUUIWFLOS-SCSAIBSYSA-N 0 0 111.144 1.488 10 0 ADAERN CNc1ccc(CN2CCOCC2)o1 39126959 171076163 /nfs/dbraw/zinc/07/61/63/171076163.db2.gz XCPXVMAYMPKPDM-UHFFFAOYSA-N 0 0 196.250 1.154 10 0 ADAERN CN(C)c1nccc(=S)n1C 39124633 171076230 /nfs/dbraw/zinc/07/62/30/171076230.db2.gz KMXKJDVIHKFCAZ-UHFFFAOYSA-N 0 0 169.253 1.216 10 0 ADAERN N#Cn1ccc2ccccc2c1=O 39121487 171076236 /nfs/dbraw/zinc/07/62/36/171076236.db2.gz ODZZBFSRMZTTRM-UHFFFAOYSA-N 0 0 170.171 1.331 10 0 ADAERN CNc1ccc(C(=O)N(C)C)o1 39126866 171076253 /nfs/dbraw/zinc/07/62/53/171076253.db2.gz KCLVVFISCBEWHU-UHFFFAOYSA-N 0 0 168.196 1.023 10 0 ADAERN O=S=Nc1ccncc1 39120795 171076275 /nfs/dbraw/zinc/07/62/75/171076275.db2.gz AOVGEZSPWDCAKR-UHFFFAOYSA-N 0 0 140.167 1.110 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]1C 39117656 171076289 /nfs/dbraw/zinc/07/62/89/171076289.db2.gz IPLXTRMYBBOEKU-NTSWFWBYSA-N 0 0 128.171 1.206 10 0 ADAERN CC(=O)Nc1c(O)ccc(F)c1F 39126502 171076293 /nfs/dbraw/zinc/07/62/93/171076293.db2.gz LVEATMSNJWXHOW-UHFFFAOYSA-N 0 0 187.145 1.629 10 0 ADAERN S=c1cccc2[nH]ccnc1-2 39121571 171076342 /nfs/dbraw/zinc/07/63/42/171076342.db2.gz ADSNLQNMRSYBKC-UHFFFAOYSA-N 0 0 162.217 1.919 10 0 ADAERN c1cnc2c3c(cnc2c1)NCCC3 39124300 171076365 /nfs/dbraw/zinc/07/63/65/171076365.db2.gz GLLZBUARIYKPSA-UHFFFAOYSA-N 0 0 185.230 1.988 10 0 ADAERN C=Cc1cc(C(C)=O)cn1C 39069615 171076415 /nfs/dbraw/zinc/07/64/15/171076415.db2.gz FYUYGQCNLAZJJJ-UHFFFAOYSA-N 0 0 149.193 1.871 10 0 ADAERN CC(=O)Nc1c(N)ccnc1Cl 39125955 171076438 /nfs/dbraw/zinc/07/64/38/171076438.db2.gz SONCREUSDAINKU-UHFFFAOYSA-N 0 0 185.614 1.276 10 0 ADAERN COC1=CCCC[C@@H]1O 39119309 171076452 /nfs/dbraw/zinc/07/64/52/171076452.db2.gz GYWJATJLCFDJBN-LURJTMIESA-N 0 0 128.171 1.062 10 0 ADAERN CNc1ccc(N(C)C)nc1 39134907 171076591 /nfs/dbraw/zinc/07/65/91/171076591.db2.gz PZIKBYIERKNRFH-UHFFFAOYSA-N 0 0 151.213 1.189 10 0 ADAERN COc1ccc(=O)c2ncc[nH]c1-2 39134378 171076598 /nfs/dbraw/zinc/07/65/98/171076598.db2.gz MZUCMIZNDKERLY-UHFFFAOYSA-N 0 0 176.175 1.344 10 0 ADAERN [O-][n+]1ccc2occc2c1 39188925 171076671 /nfs/dbraw/zinc/07/66/71/171076671.db2.gz BMCVFPPTXPVXBG-UHFFFAOYSA-N 0 0 135.122 1.066 10 0 ADAERN OCCC[C@H]1CCCC[C@H]1O 39168183 171076694 /nfs/dbraw/zinc/07/66/94/171076694.db2.gz PBZREJKPWKGCSH-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN [O-][n+]1ccc(Cl)c2c1CCC2 39184894 171076698 /nfs/dbraw/zinc/07/66/98/171076698.db2.gz ZBQBGIUQGMTBHC-UHFFFAOYSA-N 0 0 169.611 1.462 10 0 ADAERN CCCCc1[nH][nH]c(=O)c1N 39133767 171076702 /nfs/dbraw/zinc/07/67/02/171076702.db2.gz BBXCRUBYJSERFB-UHFFFAOYSA-N 0 0 155.201 1.040 10 0 ADAERN OC1(Cc2nccs2)CC1 39134827 171076805 /nfs/dbraw/zinc/07/68/05/171076805.db2.gz YKRGQIQPFJUPLP-UHFFFAOYSA-N 0 0 155.222 1.211 10 0 ADAERN COC(=O)c1c(C)cc(C)cc1O 39188974 171076825 /nfs/dbraw/zinc/07/68/25/171076825.db2.gz YEZRPTMGIWPNBN-UHFFFAOYSA-N 0 0 180.203 1.796 10 0 ADAERN OC(=S)c1cscn1 39135014 171076844 /nfs/dbraw/zinc/07/68/44/171076844.db2.gz FHNQFSBZQGCURP-UHFFFAOYSA-N 0 0 145.208 1.377 10 0 ADAERN c1cnc2cc3c(cc2n1)CC3 39134267 171076868 /nfs/dbraw/zinc/07/68/68/171076868.db2.gz ZNUHPVMGYOHVDZ-UHFFFAOYSA-N 0 0 156.188 1.728 10 0 ADAERN CC(C)c1ccnn1C 39191063 171076878 /nfs/dbraw/zinc/07/68/78/171076878.db2.gz MGPFXAFIJQGPID-UHFFFAOYSA-N 0 0 124.187 1.544 10 0 ADAERN Nc1ccc2[nH]c(CO)cc2c1 39184774 171076882 /nfs/dbraw/zinc/07/68/82/171076882.db2.gz SMZDIZPCTUMGCS-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN CCCc1nc2cc[nH]n2n1 39133882 171076886 /nfs/dbraw/zinc/07/68/86/171076886.db2.gz WMLAULJZUMLWPL-UHFFFAOYSA-N 0 0 150.185 1.010 10 0 ADAERN COc1ccc2[nH]ccc2c1C=O 39184983 171076928 /nfs/dbraw/zinc/07/69/28/171076928.db2.gz MGCZOMUDBYCPMF-UHFFFAOYSA-N 0 0 175.187 1.989 10 0 ADAERN c1cnc2cc3nonc3cc2n1 39134301 171076933 /nfs/dbraw/zinc/07/69/33/171076933.db2.gz AFPAWAIGEVKKOI-UHFFFAOYSA-N 0 0 172.147 1.166 10 0 ADAERN c1cnc2cc3oncc3cc2n1 39134286 171076946 /nfs/dbraw/zinc/07/69/46/171076946.db2.gz GLAZOLVIJWFBRU-UHFFFAOYSA-N 0 0 171.159 1.771 10 0 ADAERN NC(=S)CCCc1c[nH]cn1 39133125 171076948 /nfs/dbraw/zinc/07/69/48/171076948.db2.gz YSOADVXYKGIAAC-UHFFFAOYSA-N 0 0 169.253 1.019 10 0 ADAERN NC(=S)CCCc1ncc[nH]1 39133050 171076963 /nfs/dbraw/zinc/07/69/63/171076963.db2.gz IZGMNLOJJQHJFL-UHFFFAOYSA-N 0 0 169.253 1.019 10 0 ADAERN Nc1ccc(Cl)cc1NCCO 39185267 171076980 /nfs/dbraw/zinc/07/69/80/171076980.db2.gz RFRIESPASFUREO-UHFFFAOYSA-N 0 0 186.642 1.326 10 0 ADAERN CS(C)=Nc1nccs1 39134709 171077013 /nfs/dbraw/zinc/07/70/13/171077013.db2.gz UPAZJYWZTRDBJF-UHFFFAOYSA-N 0 0 160.267 1.836 10 0 ADAERN COC(=N)CCCc1c[nH]cn1 39136854 171077037 /nfs/dbraw/zinc/07/70/37/171077037.db2.gz MMZDWHKDNQLWFG-UHFFFAOYSA-N 0 0 167.212 1.356 10 0 ADAERN [S-]c1ccc(C2=[NH+]CCN2)cc1 39132887 171077076 /nfs/dbraw/zinc/07/70/76/171077076.db2.gz SREFMTBBMBSAGZ-UHFFFAOYSA-N 0 0 178.260 1.325 10 0 ADAERN [S-]c1cccc(C2=[NH+]CCN2)c1 39132886 171077103 /nfs/dbraw/zinc/07/71/03/171077103.db2.gz LPLOQOOTZGQTML-UHFFFAOYSA-N 0 0 178.260 1.325 10 0 ADAERN FC(F)(F)c1nc2c([nH]1)CNC2 39132545 171077127 /nfs/dbraw/zinc/07/71/27/171077127.db2.gz NUMWDUZBMFQOGA-UHFFFAOYSA-N 0 0 177.129 1.032 10 0 ADAERN CC(C)C(=O)N(C)c1ccncc1 39139475 171077156 /nfs/dbraw/zinc/07/71/56/171077156.db2.gz BLEOXLQFQYMQBC-UHFFFAOYSA-N 0 0 178.235 1.700 10 0 ADAERN ClC(Cl)(Cl)C1=NCCN1 39238922 171077331 /nfs/dbraw/zinc/07/73/31/171077331.db2.gz OTOVEZWDWQHDCE-UHFFFAOYSA-N 0 0 187.457 1.358 10 0 ADAERN CCc1[nH]c(C)c(C(C)=O)c1N 39209203 171077352 /nfs/dbraw/zinc/07/73/52/171077352.db2.gz ZICVJSHUOKWNEP-UHFFFAOYSA-N 0 0 166.224 1.670 10 0 ADAERN O=c1cc(-c2ccccc2)cc(O)[nH]1 39221209 171077388 /nfs/dbraw/zinc/07/73/88/171077388.db2.gz YLKQGXVUXYUNBA-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN CC1(C)[C@H](CO)C1(Cl)Cl 39253202 171077421 /nfs/dbraw/zinc/07/74/21/171077421.db2.gz HYOFFFZOXWCQII-BYPYZUCNSA-N 0 0 169.051 1.809 10 0 ADAERN Cc1ccccc1Nc1noc(N)n1 39256712 171077444 /nfs/dbraw/zinc/07/74/44/171077444.db2.gz KRTFTBRNTUWXBQ-UHFFFAOYSA-N 0 0 190.206 1.704 10 0 ADAERN O=Cc1cccn1-n1cccc1C=O 39213504 171077479 /nfs/dbraw/zinc/07/74/79/171077479.db2.gz ODIAUXQLFSTZJC-UHFFFAOYSA-N 0 0 188.186 1.226 10 0 ADAERN S=c1cc[nH]c(S)c1 39237322 171077529 /nfs/dbraw/zinc/07/75/29/171077529.db2.gz KGQJOPJSIZEIDD-UHFFFAOYSA-N 0 0 143.236 1.659 10 0 ADAERN CC(C)c1ccon1 39242425 171077547 /nfs/dbraw/zinc/07/75/47/171077547.db2.gz YVOIIFNYZFCVHY-UHFFFAOYSA-N 0 0 111.144 1.798 10 0 ADAERN COc1ccc(O)c(C(C)=O)c1OC 39225557 171077579 /nfs/dbraw/zinc/07/75/79/171077579.db2.gz PYBAAGWYIHNIBZ-UHFFFAOYSA-N 0 0 196.202 1.612 10 0 ADAERN C[S@@](=O)c1ccccc1C=O 39212348 171077618 /nfs/dbraw/zinc/07/76/18/171077618.db2.gz GKNAAYXCSYJWCK-NSHDSACASA-N 0 0 168.217 1.237 10 0 ADAERN c1c2c(cc3c1OCO3)NCC2 39215425 171077619 /nfs/dbraw/zinc/07/76/19/171077619.db2.gz QXSXUCFIJKIEJX-UHFFFAOYSA-N 0 0 163.176 1.383 10 0 ADAERN Oc1c(Cl)ccc2c1OCCO2 39249438 171077626 /nfs/dbraw/zinc/07/76/26/171077626.db2.gz SKCSEZICZDRYDU-UHFFFAOYSA-N 0 0 186.594 1.817 10 0 ADAERN C=Cc1cc(OC)c(N)c(N)c1OC 39256427 171077665 /nfs/dbraw/zinc/07/76/65/171077665.db2.gz ZXIRNVJIBJKJFY-UHFFFAOYSA-N 0 0 194.234 1.511 10 0 ADAERN O=C1CN=C(c2ccccc2)NC1=O 39249753 171077735 /nfs/dbraw/zinc/07/77/35/171077735.db2.gz WGVLFVDTMUSMCX-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN Nc1c(C=O)cnc2ccccc12 39212305 171077738 /nfs/dbraw/zinc/07/77/38/171077738.db2.gz HPGFJXMUEPXRRI-UHFFFAOYSA-N 0 0 172.187 1.630 10 0 ADAERN CC/C=C/[C@H](C)O 39233743 171077761 /nfs/dbraw/zinc/07/77/61/171077761.db2.gz SMOVOSVEEFIBSP-OVCGOVNKSA-N 0 0 100.161 1.333 10 0 ADAERN COC(=O)[C@@H]1CCn2cc(Cl)cc21 39291810 171077913 /nfs/dbraw/zinc/07/79/13/171077913.db2.gz BNDHWVIIMWWLRB-SSDOTTSWSA-N 0 0 199.637 1.802 10 0 ADAERN O=c1c(CO)c[nH]c2ccc(F)cc12 39298183 171077994 /nfs/dbraw/zinc/07/79/94/171077994.db2.gz WZWHUBIVAMSGGX-UHFFFAOYSA-N 0 0 193.177 1.160 10 0 ADAERN O=c1c(CO)c[nH]c2c(F)cccc12 39298186 171078008 /nfs/dbraw/zinc/07/80/08/171078008.db2.gz PDEPFXZZWHVRDX-UHFFFAOYSA-N 0 0 193.177 1.160 10 0 ADAERN CC(=O)C(=O)NC1CCCCC1 39318788 171078015 /nfs/dbraw/zinc/07/80/15/171078015.db2.gz VGPBVFQLUQYKIE-UHFFFAOYSA-N 0 0 169.224 1.024 10 0 ADAERN OC/C=C/c1cccc(O)c1 39258110 171078083 /nfs/dbraw/zinc/07/80/83/171078083.db2.gz DLIYAKCMSBOEGO-DUXPYHPUSA-N 0 0 150.177 1.398 10 0 ADAERN O=Cc1ccccc1CCO 39274381 171078141 /nfs/dbraw/zinc/07/81/41/171078141.db2.gz YEAQCTYLLMRFGA-UHFFFAOYSA-N 0 0 150.177 1.034 10 0 ADAERN O=c1c(CO)c[nH]c2cc(F)ccc12 39298132 171078173 /nfs/dbraw/zinc/07/81/73/171078173.db2.gz DBTIAXSTNJXFCH-UHFFFAOYSA-N 0 0 193.177 1.160 10 0 ADAERN CCSC(N)=O 39262974 171078240 /nfs/dbraw/zinc/07/82/40/171078240.db2.gz YRNIQASZWVFCJP-UHFFFAOYSA-N 0 0 105.162 1.232 10 0 ADAERN O=c1[nH]snc1-c1ccccc1 39268993 171078242 /nfs/dbraw/zinc/07/82/42/171078242.db2.gz GLKNXXLWVDKKNI-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN CC(=O)C(=C(C)O)c1ccco1 39271863 171078264 /nfs/dbraw/zinc/07/82/64/171078264.db2.gz YLHHGNLPMSROAJ-UHFFFAOYSA-N 0 0 166.176 1.541 10 0 ADAERN C/C=C/C(=S)NC 39277738 171078278 /nfs/dbraw/zinc/07/82/78/171078278.db2.gz WKZZWAURBFBPRY-ONEGZZNKSA-N 0 0 115.201 1.109 10 0 ADAERN C/C=C/C(=O)NCCCC 39258310 171078280 /nfs/dbraw/zinc/07/82/80/171078280.db2.gz CZTNQUZELARNDX-GQCTYLIASA-N 0 0 141.214 1.479 10 0 ADAERN Nc1ccc2c(=S)[nH]cnc2c1 39294998 171078285 /nfs/dbraw/zinc/07/82/85/171078285.db2.gz HIEJUSOWTGSYAS-UHFFFAOYSA-N 0 0 177.232 1.875 10 0 ADAERN [O-][n+]1c2n(c3ccc(F)cc31)CCC2 39286994 171078303 /nfs/dbraw/zinc/07/83/03/171078303.db2.gz IMCLWGCJGLDNGX-UHFFFAOYSA-N 0 0 192.193 1.360 10 0 ADAERN NC(=S)Cc1noc2ccccc12 39283167 171078311 /nfs/dbraw/zinc/07/83/11/171078311.db2.gz OWLLJUREVIJMLJ-UHFFFAOYSA-N 0 0 192.243 1.656 10 0 ADAERN COC1=CS(=O)(=O)c2ccccc21 39295338 171078315 /nfs/dbraw/zinc/07/83/15/171078315.db2.gz RXKKGPRWKFXOER-UHFFFAOYSA-N 0 0 196.227 1.419 10 0 ADAERN Cc1ccc2[nH]c(=O)cc(C=O)c2c1 39280932 171078328 /nfs/dbraw/zinc/07/83/28/171078328.db2.gz KWHCVQRUSFOADM-UHFFFAOYSA-N 0 0 187.198 1.649 10 0 ADAERN CC1(C)COC(=O)C1=C(F)F 39270142 171078343 /nfs/dbraw/zinc/07/83/43/171078343.db2.gz YGHJCKULNINSFK-UHFFFAOYSA-N 0 0 162.135 1.720 10 0 ADAERN CC/C=C\C=C\C(=O)OC 39279247 171078388 /nfs/dbraw/zinc/07/83/88/171078388.db2.gz GCYDJSKTCBITBG-SCFJQAPRSA-N 0 0 140.182 1.682 10 0 ADAERN Cc1ccc2[nH]c(C=O)cc(=O)c2c1 39280920 171078399 /nfs/dbraw/zinc/07/83/99/171078399.db2.gz DAOBKFDRTMFWKS-UHFFFAOYSA-N 0 0 187.198 1.649 10 0 ADAERN Cc1ccccc1CNO 39418472 171078979 /nfs/dbraw/zinc/07/89/79/171078979.db2.gz SMCIBOKCYUCQGB-UHFFFAOYSA-N 0 0 137.182 1.474 10 0 ADAERN CCSC(=O)NC 39414249 171079081 /nfs/dbraw/zinc/07/90/81/171079081.db2.gz WSFBLXKOYASCAF-UHFFFAOYSA-N 0 0 119.189 1.079 10 0 ADAERN Cc1ccccc1[C@@H](C(N)=O)N(C)C 39408421 171079089 /nfs/dbraw/zinc/07/90/89/171079089.db2.gz VPDOSNJPTNTAGZ-JTQLQIEISA-N 0 0 192.262 1.083 10 0 ADAERN NOCc1ccsc1Cl 39438728 171079098 /nfs/dbraw/zinc/07/90/98/171079098.db2.gz RYCWBKFDCFJGAA-UHFFFAOYSA-N 0 0 163.629 1.792 10 0 ADAERN NC(=O)c1ccc2c(c1)CCCO2 39470953 171079385 /nfs/dbraw/zinc/07/93/85/171079385.db2.gz HJLYHXATZHROAL-UHFFFAOYSA-N 0 0 177.203 1.111 10 0 ADAERN CC[C@@H]1CC[N@H+](CC)[C@H](C(=O)[O-])C1 39953894 171079403 /nfs/dbraw/zinc/07/94/03/171079403.db2.gz LEMBAWJBWHZPLL-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1ccnc(C)c1C(=O)N(C)C 39602696 171079430 /nfs/dbraw/zinc/07/94/30/171079430.db2.gz CWAKJHVCRJWLOJ-UHFFFAOYSA-N 0 0 178.235 1.400 10 0 ADAERN NC(=S)c1cccc2n[nH]cc12 39947695 171079441 /nfs/dbraw/zinc/07/94/41/171079441.db2.gz NMEAWWAXCUFCAD-UHFFFAOYSA-N 0 0 177.232 1.197 10 0 ADAERN COc1ccc(O)cc1[S@@](C)=O 39477681 171079467 /nfs/dbraw/zinc/07/94/67/171079467.db2.gz LSWOWZIDOSZMQB-LBPRGKRZSA-N 0 0 186.232 1.138 10 0 ADAERN O=C1O[C@@H](NC2CC2)c2ccccc21 39897861 171079520 /nfs/dbraw/zinc/07/95/20/171079520.db2.gz KWZBUTHPFBNSRH-SNVBAGLBSA-N 0 0 189.214 1.608 10 0 ADAERN Nc1ccc(F)c(-c2ccncc2)n1 39593842 171079529 /nfs/dbraw/zinc/07/95/29/171079529.db2.gz IPKUSZUVFVVFCB-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN O=C1O[C@H](NC2CC2)c2ccccc21 39897862 171079614 /nfs/dbraw/zinc/07/96/14/171079614.db2.gz KWZBUTHPFBNSRH-JTQLQIEISA-N 0 0 189.214 1.608 10 0 ADAERN Nc1cc(C2CCC2)[nH]n1 39576136 171079726 /nfs/dbraw/zinc/07/97/26/171079726.db2.gz QAIBLOCTTFAYMF-ZCFIWIBFSA-N 0 0 137.186 1.421 10 0 ADAERN Nc1cc(C2CCC2)[nH]n1 39576135 171079765 /nfs/dbraw/zinc/07/97/65/171079765.db2.gz QAIBLOCTTFAYMF-LURJTMIESA-N 0 0 137.186 1.421 10 0 ADAERN C[C@H]1CC(N)=[NH+]N1c1cccc(F)c1 39594138 171079867 /nfs/dbraw/zinc/07/98/67/171079867.db2.gz WPARPVNIQKZUAB-ZETCQYMHSA-N 0 0 193.225 1.697 10 0 ADAERN C[C@@H]1CC(N)=[NH+]N1c1cccc(F)c1 39594135 171079895 /nfs/dbraw/zinc/07/98/95/171079895.db2.gz WPARPVNIQKZUAB-SSDOTTSWSA-N 0 0 193.225 1.697 10 0 ADAERN COc1ccc(O)cc1[S@](C)=O 39477679 171079927 /nfs/dbraw/zinc/07/99/27/171079927.db2.gz LSWOWZIDOSZMQB-GFCCVEGCSA-N 0 0 186.232 1.138 10 0 ADAERN CN(C)c1cocc1N(C)C 39080570 171080134 /nfs/dbraw/zinc/08/01/34/171080134.db2.gz BJLVTQGYFMVVMU-UHFFFAOYSA-N 0 0 154.213 1.412 10 0 ADAERN Cc1ccccc1N1C=NCC1 39081391 171080219 /nfs/dbraw/zinc/08/02/19/171080219.db2.gz RPNQVCXMPGHQPH-UHFFFAOYSA-N 0 0 160.220 1.843 10 0 ADAERN C/C=C\N1CCCCC1=O 39078533 171080572 /nfs/dbraw/zinc/08/05/72/171080572.db2.gz XSCPYDMKDZCNIO-KXFIGUGUSA-N 0 0 139.198 1.533 10 0 ADAERN CC(C)c1cn2c(C[NH3+])csc2n1 40441486 171080734 /nfs/dbraw/zinc/08/07/34/171080734.db2.gz KCTHKGLYXLMDGC-UHFFFAOYSA-N 0 0 195.291 1.978 10 0 ADAERN c1cncc(Cc2nnco2)c1 40350865 171080797 /nfs/dbraw/zinc/08/07/97/171080797.db2.gz FBSICYXDBYEVGP-UHFFFAOYSA-N 0 0 161.164 1.055 10 0 ADAERN FC(F)(F)c1nc2c([nH]1)C[NH2+]CC2 40434618 171080809 /nfs/dbraw/zinc/08/08/09/171080809.db2.gz GWCRRTXMLXAEDC-UHFFFAOYSA-N 0 0 191.156 1.074 10 0 ADAERN OCCSc1cc(Cl)ncn1 40422336 171080851 /nfs/dbraw/zinc/08/08/51/171080851.db2.gz MRVVFLZOQCSKBB-UHFFFAOYSA-N 0 0 190.655 1.214 10 0 ADAERN CN(C)c1nc(C(C)(C)C)cc(=O)[nH]1 40887690 171081343 /nfs/dbraw/zinc/08/13/43/171081343.db2.gz VBELCVXMXGOINB-UHFFFAOYSA-N 0 0 195.266 1.133 10 0 ADAERN CC(C)(C)Sc1c[nH]nc1N 40999504 171081411 /nfs/dbraw/zinc/08/14/11/171081411.db2.gz LKVXBFJVFSMWGJ-UHFFFAOYSA-N 0 0 171.269 1.883 10 0 ADAERN CCCCCC(=O)NC1=CCOC1=O 40918085 171081426 /nfs/dbraw/zinc/08/14/26/171081426.db2.gz YVYUNAFGBIMWBU-UHFFFAOYSA-N 0 0 197.234 1.124 10 0 ADAERN CC(C)=CC(=O)NC(C)C 40869058 171081522 /nfs/dbraw/zinc/08/15/22/171081522.db2.gz BXOVSSXXNBDBGY-UHFFFAOYSA-N 0 0 141.214 1.477 10 0 ADAERN NCC(=O)OC1CCCCCC1 40954518 171081538 /nfs/dbraw/zinc/08/15/38/171081538.db2.gz LYHJUOUWBNGNFU-UHFFFAOYSA-N 0 0 171.240 1.211 10 0 ADAERN Nc1n[nH]cc1Sc1ccccn1 40999486 171081573 /nfs/dbraw/zinc/08/15/73/171081573.db2.gz XYZJHYRDSWNKFH-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Oc1cccc(O)c1-c1c[nH]cn1 40981028 171081575 /nfs/dbraw/zinc/08/15/75/171081575.db2.gz VMNQZTQDHXFNPD-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 in-vivo ADAERN OC[C@H]1COc2ccc(Cl)cc2N1 40764030 171081636 /nfs/dbraw/zinc/08/16/36/171081636.db2.gz JDZVOBMANFJEFM-ZETCQYMHSA-N 0 0 199.637 1.505 10 0 ADAERN OC[C@@H]1COc2ccc(Cl)cc2N1 40764029 171081654 /nfs/dbraw/zinc/08/16/54/171081654.db2.gz JDZVOBMANFJEFM-SSDOTTSWSA-N 0 0 199.637 1.505 10 0 ADAERN c1cncc(CNc2ccncn2)c1 40863025 171081894 /nfs/dbraw/zinc/08/18/94/171081894.db2.gz DJXDGIFMJZZXJY-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN CCNc1ccc(CCO)cc1 40738360 171081901 /nfs/dbraw/zinc/08/19/01/171081901.db2.gz BGGXNDKNTRUZBG-UHFFFAOYSA-N 0 0 165.236 1.653 10 0 ADAERN c1c2c(cc3c1OCO3)CCC2 41167744 171082265 /nfs/dbraw/zinc/08/22/65/171082265.db2.gz FICDKNGIWMKZPY-UHFFFAOYSA-N 0 0 162.188 1.904 10 0 ADAERN Cc1ccccc1N(C)N 41166892 171082275 /nfs/dbraw/zinc/08/22/75/171082275.db2.gz BELNCLKWXROWAR-UHFFFAOYSA-N 0 0 136.198 1.305 10 0 ADAERN [NH3+]CC1=NN[C@@H](c2ccc(F)cc2)C1 41141939 171082292 /nfs/dbraw/zinc/08/22/92/171082292.db2.gz KYYOKJANNFLYMN-SNVBAGLBSA-N 0 0 193.225 1.175 10 0 ADAERN C[C@@H]1OCCC1(Cl)Cl 39088653 171082325 /nfs/dbraw/zinc/08/23/25/171082325.db2.gz MOAUAANYLSFEHR-BYPYZUCNSA-N 0 0 155.024 1.969 10 0 ADAERN CC(C)(C)[C@@H](C(=O)[O-])[NH+]1CCCCC1 41051930 171082328 /nfs/dbraw/zinc/08/23/28/171082328.db2.gz XIJWRSMNTLOFNM-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN NC(=S)CCc1ccco1 41167245 171082346 /nfs/dbraw/zinc/08/23/46/171082346.db2.gz AWNXYVUAXXHXQD-UHFFFAOYSA-N 0 0 155.222 1.498 10 0 ADAERN ClC1(Cl)CCC[NH2+]C1 39088568 171082360 /nfs/dbraw/zinc/08/23/60/171082360.db2.gz RSRMDDZPLKZCIK-UHFFFAOYSA-N 0 0 154.040 1.544 10 0 ADAERN O=c1ncc2cccc(F)c2o1 39088219 171082414 /nfs/dbraw/zinc/08/24/14/171082414.db2.gz SYULKMNNPGFMII-UHFFFAOYSA-N 0 0 165.123 1.327 10 0 ADAERN CNc1ccc(N)c(C(=O)OC)c1 41046130 171082432 /nfs/dbraw/zinc/08/24/32/171082432.db2.gz NPRMIIVRCXREEZ-UHFFFAOYSA-N 0 0 180.207 1.097 10 0 ADAERN CC1(C)OC=C(F)C(=O)O1 39088257 171082445 /nfs/dbraw/zinc/08/24/45/171082445.db2.gz JIIWHSACFRNLJV-UHFFFAOYSA-N 0 0 146.117 1.107 10 0 ADAERN F[C@@H]1OCCC1(Cl)Cl 39088796 171082449 /nfs/dbraw/zinc/08/24/49/171082449.db2.gz SUSSAXNSBRLZAD-GSVOUGTGSA-N 0 0 158.987 1.876 10 0 ADAERN F[C@@H]1OCC(F)(F)C1(F)F 39088964 171082499 /nfs/dbraw/zinc/08/24/99/171082499.db2.gz PZQWHSFXTUHHEO-UWTATZPHSA-N 0 0 162.057 1.583 10 0 ADAERN [NH3+]CC1=NN[C@H](c2ccccc2)C1 41140831 171082500 /nfs/dbraw/zinc/08/25/00/171082500.db2.gz ONIXMDDYPVQFCH-JTQLQIEISA-N 0 0 175.235 1.036 10 0 ADAERN O=C(OCF)c1ccco1 39087512 171082522 /nfs/dbraw/zinc/08/25/22/171082522.db2.gz DCFMJCVUINXXRL-UHFFFAOYSA-N 0 0 144.101 1.363 10 0 ADAERN [NH3+]CC1=NN[C@H](c2ccc(F)cc2)C1 41141938 171082524 /nfs/dbraw/zinc/08/25/24/171082524.db2.gz KYYOKJANNFLYMN-JTQLQIEISA-N 0 0 193.225 1.175 10 0 ADAERN F[C@@H]1COc2ccccc2C1 39088510 171082581 /nfs/dbraw/zinc/08/25/81/171082581.db2.gz MNNHSKKUQDWMJJ-QMMMGPOBSA-N 0 0 152.168 1.960 10 0 ADAERN CC(C)(C)[C@@H](C(=O)[O-])[NH+]1CCCC1 41051926 171082592 /nfs/dbraw/zinc/08/25/92/171082592.db2.gz SHOQDLREARRKDB-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN COc1ccccc1N(C)N 41167161 171082611 /nfs/dbraw/zinc/08/26/11/171082611.db2.gz RGNRKJMBGMMUFR-UHFFFAOYSA-N 0 0 152.197 1.005 10 0 ADAERN [NH3+]CC1=NN[C@@H](c2ccccc2F)C1 41143447 171082626 /nfs/dbraw/zinc/08/26/26/171082626.db2.gz WZZNTWHQJRIJCF-SNVBAGLBSA-N 0 0 193.225 1.175 10 0 ADAERN [NH3+]CC1=NN[C@@H](c2ccccc2)C1 41140833 171082641 /nfs/dbraw/zinc/08/26/41/171082641.db2.gz ONIXMDDYPVQFCH-SNVBAGLBSA-N 0 0 175.235 1.036 10 0 ADAERN [NH3+]CC1=NN[C@@H](c2cccs2)C1 41143956 171082658 /nfs/dbraw/zinc/08/26/58/171082658.db2.gz JUADIFCPNDWIAW-SSDOTTSWSA-N 0 0 181.264 1.097 10 0 ADAERN [NH3+]CC1=NN[C@H](c2cccs2)C1 41143955 171082662 /nfs/dbraw/zinc/08/26/62/171082662.db2.gz JUADIFCPNDWIAW-ZETCQYMHSA-N 0 0 181.264 1.097 10 0 ADAERN c1nn[nH]c1C[NH2+]C1CCCCCC1 41050769 171082690 /nfs/dbraw/zinc/08/26/90/171082690.db2.gz TVNYDLXODAITJQ-UHFFFAOYSA-N 0 0 194.282 1.617 10 0 ADAERN [NH3+]C1(c2nc3c(s2)CCC3)CCC1 41060157 171082720 /nfs/dbraw/zinc/08/27/20/171082720.db2.gz CDGYYKXSHIHHJI-UHFFFAOYSA-N 0 0 194.303 1.970 10 0 ADAERN [NH3+]CC1=NN[C@H](c2ccccc2F)C1 41143445 171082728 /nfs/dbraw/zinc/08/27/28/171082728.db2.gz WZZNTWHQJRIJCF-JTQLQIEISA-N 0 0 193.225 1.175 10 0 ADAERN ClC1(Cl)CCCOC1 39088614 171082737 /nfs/dbraw/zinc/08/27/37/171082737.db2.gz MTQRGSSFTCTVOL-UHFFFAOYSA-N 0 0 155.024 1.971 10 0 ADAERN OCCSc1ccc(F)cn1 41045475 171082743 /nfs/dbraw/zinc/08/27/43/171082743.db2.gz QSLINWQUMXKEOU-UHFFFAOYSA-N 0 0 173.212 1.305 10 0 ADAERN CC(C)C(=O)N(C)c1cccc(N)c1 41067579 171082751 /nfs/dbraw/zinc/08/27/51/171082751.db2.gz SUKYPUPJDSPBJM-UHFFFAOYSA-N 0 0 192.262 1.888 10 0 ADAERN [NH3+]C1(c2nccs2)CCOCC1 41059926 171082773 /nfs/dbraw/zinc/08/27/73/171082773.db2.gz WNIZZYWWSGQBKU-UHFFFAOYSA-N 0 0 184.264 1.108 10 0 ADAERN CC1(C)OC(=O)C(F)=C1F 39088353 171082807 /nfs/dbraw/zinc/08/28/07/171082807.db2.gz LZPSVTOJWCCNFZ-UHFFFAOYSA-N 0 0 148.108 1.472 10 0 ADAERN NC(=S)CCc1cccnc1 41168089 171082948 /nfs/dbraw/zinc/08/29/48/171082948.db2.gz QGHNHHUWMYCITM-UHFFFAOYSA-N 0 0 166.249 1.300 10 0 ADAERN Cc1ccccc1[C@@H]1CC(=O)CCN1 41204502 171082991 /nfs/dbraw/zinc/08/29/91/171082991.db2.gz XUUKDXJSGZQCPR-LBPRGKRZSA-N 0 0 189.258 1.989 10 0 ADAERN c1c[nH]c(-c2ccc3c(c2)OCO3)n1 41204071 171083038 /nfs/dbraw/zinc/08/30/38/171083038.db2.gz JQBHHJWDTFCUCG-UHFFFAOYSA-N 0 0 188.186 1.805 10 0 ADAERN Cc1ccccc1Cc1cc(N)n[nH]1 41203966 171083083 /nfs/dbraw/zinc/08/30/83/171083083.db2.gz HLGFBNXQJHSVDF-UHFFFAOYSA-N 0 0 187.246 1.891 10 0 ADAERN O=C1O[C@@H](c2ccco2)CN1C1CC1 41206130 171083190 /nfs/dbraw/zinc/08/31/90/171083190.db2.gz UDTIPOFCSJQGCX-SECBINFHSA-N 0 0 193.202 1.935 10 0 ADAERN Cc1ccccc1[C@H]1CC(=O)NC1=O 41204376 171083241 /nfs/dbraw/zinc/08/32/41/171083241.db2.gz XYKZYQZDDNDYOM-SECBINFHSA-N 0 0 189.214 1.125 10 0 ADAERN O=C1C[C@H](c2cccs2)C(=O)N1 41201590 171083244 /nfs/dbraw/zinc/08/32/44/171083244.db2.gz MBPFGBGIBOLTMA-RXMQYKEDSA-N 0 0 181.216 1.719 10 0 ADAERN NC(=S)CCNc1ccccc1 41201488 171083276 /nfs/dbraw/zinc/08/32/76/171083276.db2.gz LVUXUIUTKXEBPK-UHFFFAOYSA-N 0 0 180.276 1.775 10 0 ADAERN NC(=S)CCc1cccs1 41168483 171083294 /nfs/dbraw/zinc/08/32/94/171083294.db2.gz YMCSYBGVEPVGMQ-UHFFFAOYSA-N 0 0 171.290 1.967 10 0 ADAERN Cc1ccccc1N[C@H](C)CC(N)=O 41205983 171083333 /nfs/dbraw/zinc/08/33/33/171083333.db2.gz FILWKWSFEOEBNS-SECBINFHSA-N 0 0 192.262 1.671 10 0 ADAERN Cc1ccccc1[C@H]1CC(=O)CCN1 41204504 171083387 /nfs/dbraw/zinc/08/33/87/171083387.db2.gz XUUKDXJSGZQCPR-GFCCVEGCSA-N 0 0 189.258 1.989 10 0 ADAERN NC(=S)c1ccc2c(c1)CCC2 41199961 171083473 /nfs/dbraw/zinc/08/34/73/171083473.db2.gz UQJPBGPRWZJHEM-UHFFFAOYSA-N 0 0 177.272 1.810 10 0 ADAERN Cc1ccccc1[C@@H]1CNC(=O)O1 41199728 171083500 /nfs/dbraw/zinc/08/35/00/171083500.db2.gz MSIRYXHMZMSXEX-VIFPVBQESA-N 0 0 177.203 1.776 10 0 ADAERN Cc1ccccc1N[C@@H](C)CC(N)=O 41205982 171083501 /nfs/dbraw/zinc/08/35/01/171083501.db2.gz FILWKWSFEOEBNS-VIFPVBQESA-N 0 0 192.262 1.671 10 0 ADAERN NC(=S)CNc1ccccc1 41168091 171083502 /nfs/dbraw/zinc/08/35/02/171083502.db2.gz GHXSSINZISPOJN-UHFFFAOYSA-N 0 0 166.249 1.385 10 0 ADAERN COC1=Cc2cnoc2OC=C1 39113201 171083697 /nfs/dbraw/zinc/08/36/97/171083697.db2.gz RZCMXHSSLGQGPH-UHFFFAOYSA-N 0 0 165.148 1.568 10 0 ADAERN Cc1ccccc1NCCCO 41572042 171083710 /nfs/dbraw/zinc/08/37/10/171083710.db2.gz MSUBEYXGDSJIPS-UHFFFAOYSA-N 0 0 165.236 1.789 10 0 ADAERN O=c1ssnc1Cl 39115954 171083718 /nfs/dbraw/zinc/08/37/18/171083718.db2.gz GRKFJFMXGSWQGY-UHFFFAOYSA-N 0 0 153.615 1.218 10 0 ADAERN NC(=S)CCNc1ccccc1F 41209377 171083785 /nfs/dbraw/zinc/08/37/85/171083785.db2.gz IZWUYAREJVAOOS-UHFFFAOYSA-N 0 0 198.266 1.914 10 0 ADAERN COC1=NC=C(C)[C@@H]1C 39095447 171083845 /nfs/dbraw/zinc/08/38/45/171083845.db2.gz KYXQVKXLZLRPIO-LURJTMIESA-N 0 0 125.171 1.585 10 0 ADAERN COC1=CC=COc2oncc21 39113202 171083851 /nfs/dbraw/zinc/08/38/51/171083851.db2.gz LDGAWKWSRMGMIC-UHFFFAOYSA-N 0 0 165.148 1.568 10 0 ADAERN Nc1ccc2c(c1)NCC2=O 39119641 171083862 /nfs/dbraw/zinc/08/38/62/171083862.db2.gz NGOYRGRMAOWZRY-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN COC1=CC=Cc2cnoc2O1 39113199 171083889 /nfs/dbraw/zinc/08/38/89/171083889.db2.gz QJPPVRMNRPHSBG-UHFFFAOYSA-N 0 0 165.148 1.568 10 0 ADAERN CCSCCC(N)=S 41580250 171083934 /nfs/dbraw/zinc/08/39/34/171083934.db2.gz DTKCOJDILPYCIU-UHFFFAOYSA-N 0 0 149.284 1.416 10 0 ADAERN CCCc1nnc(NCC)s1 41650906 171083937 /nfs/dbraw/zinc/08/39/37/171083937.db2.gz KSBNIGWCGHLSOJ-UHFFFAOYSA-N 0 0 171.269 1.922 10 0 ADAERN [NH3+]C1(c2nnn[n-]2)CCCCCCC1 41663055 171083990 /nfs/dbraw/zinc/08/39/90/171083990.db2.gz DJZVTEYUKJNJBV-UHFFFAOYSA-N 0 0 195.270 1.098 10 0 ADAERN NC(=S)CCNc1ccc(F)cc1 41209378 171084103 /nfs/dbraw/zinc/08/41/03/171084103.db2.gz GJOJYWVDFTXGRK-UHFFFAOYSA-N 0 0 198.266 1.914 10 0 ADAERN COc1ccccc1NCC(N)=S 41207392 171084160 /nfs/dbraw/zinc/08/41/60/171084160.db2.gz KGFSHFONXIXTEW-UHFFFAOYSA-N 0 0 196.275 1.393 10 0 ADAERN O=C([O-])[C@]12C[C@H]1C[N@@H+](C1CCCC1)C2 39112469 171084162 /nfs/dbraw/zinc/08/41/62/171084162.db2.gz LRZMTQXRQCBWMH-KWQFWETISA-N 0 0 195.262 1.336 10 0 ADAERN CC(=O)CSc1ccc(N)nc1 41570364 171084183 /nfs/dbraw/zinc/08/41/83/171084183.db2.gz SVSOBXTZGLTYQB-UHFFFAOYSA-N 0 0 182.248 1.345 10 0 ADAERN COC1=COc2oncc2C=C1 39113200 171084193 /nfs/dbraw/zinc/08/41/93/171084193.db2.gz HPTJWDZKYRWZBD-UHFFFAOYSA-N 0 0 165.148 1.568 10 0 ADAERN CC1(C)COC(c2cnoc2)=N1 39113226 171084196 /nfs/dbraw/zinc/08/41/96/171084196.db2.gz SWUAHLDSKXDQGJ-UHFFFAOYSA-N 0 0 166.180 1.230 10 0 ADAERN c1ccc([C@@H]2CN3CCN2CC3)cc1 39115325 171084203 /nfs/dbraw/zinc/08/42/03/171084203.db2.gz FCCQUKLZAKFQEK-LBPRGKRZSA-N 0 0 188.274 1.359 10 0 ADAERN O=C1O[C@@H]2CCC[C@@H]2C1(Cl)Cl 39112472 171084213 /nfs/dbraw/zinc/08/42/13/171084213.db2.gz FDWNNSVBVBSXJX-CRCLSJGQSA-N 0 0 195.045 1.886 10 0 ADAERN CCCCc1cc(CO)on1 39112814 171084282 /nfs/dbraw/zinc/08/42/82/171084282.db2.gz WOHOWLLVBBPUCG-UHFFFAOYSA-N 0 0 155.197 1.510 10 0 ADAERN CCCc1nnc(NC)s1 41650621 171084369 /nfs/dbraw/zinc/08/43/69/171084369.db2.gz BRIAROWENYDUKU-UHFFFAOYSA-N 0 0 157.242 1.532 10 0 ADAERN O=C1O[C@@H]2CCC[C@H]2C1(Cl)Cl 39112473 171084422 /nfs/dbraw/zinc/08/44/22/171084422.db2.gz FDWNNSVBVBSXJX-RFZPGFLSSA-N 0 0 195.045 1.886 10 0 ADAERN NC(=S)CCNc1cccc(F)c1 41209380 171084452 /nfs/dbraw/zinc/08/44/52/171084452.db2.gz QKAYLLJCXIOWHS-UHFFFAOYSA-N 0 0 198.266 1.914 10 0 ADAERN FC(F)(F)c1nncs1 39140422 171084596 /nfs/dbraw/zinc/08/45/96/171084596.db2.gz HZDMNWYSHCWPLK-UHFFFAOYSA-N 0 0 154.116 1.557 10 0 ADAERN CCCc1nnc(C)s1 39140485 171084667 /nfs/dbraw/zinc/08/46/67/171084667.db2.gz FOSOLEIWMBQTHO-UHFFFAOYSA-N 0 0 142.227 1.799 10 0 ADAERN CC(C)C(=O)N1C(=O)C=CC1(C)C 39126427 171084705 /nfs/dbraw/zinc/08/47/05/171084705.db2.gz CFKROKLZPGUWBV-UHFFFAOYSA-N 0 0 181.235 1.346 10 0 ADAERN Nc1[nH][nH]c(=O)c1-c1ccc(F)cc1 39207997 171084722 /nfs/dbraw/zinc/08/47/22/171084722.db2.gz KFQYDSYXYAQLJP-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN CN1C(=N)C(=O)c2ccccc21 39240348 171084745 /nfs/dbraw/zinc/08/47/45/171084745.db2.gz CTKKTGBHHDEQHF-UHFFFAOYSA-N 0 0 160.176 1.296 10 0 ADAERN CC(C)(C)C(=O)N1CC(C)(C)C1=O 39128451 171084838 /nfs/dbraw/zinc/08/48/38/171084838.db2.gz MMPJJTSCSDLHBB-UHFFFAOYSA-N 0 0 183.251 1.428 10 0 ADAERN Nc1ccc(Cl)c(-c2nc[nH]n2)c1 42040789 171084850 /nfs/dbraw/zinc/08/48/50/171084850.db2.gz YTQCOIQESIWGGK-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1ccc(F)cc1-c1nc[nH]n1 42040859 171084869 /nfs/dbraw/zinc/08/48/69/171084869.db2.gz MVCZGAMTHVLYJZ-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN CNc1ccc(C)o1 39127464 171084879 /nfs/dbraw/zinc/08/48/79/171084879.db2.gz KLZFHHGEBNNIQO-UHFFFAOYSA-N 0 0 111.144 1.630 10 0 ADAERN CN1C(=O)C(=O)c2cc(F)cc(F)c21 42114236 171084937 /nfs/dbraw/zinc/08/49/37/171084937.db2.gz SRSGCHHBJWUWTE-UHFFFAOYSA-N 0 0 197.140 1.124 10 0 ADAERN Oc1ccc(NCc2nc[nH]n2)cc1 42040735 171084974 /nfs/dbraw/zinc/08/49/74/171084974.db2.gz MXIXLBNICHZKCU-UHFFFAOYSA-N 0 0 190.206 1.122 10 0 ADAERN c1ccc(C2=NNCCC2)cc1 39168207 171084991 /nfs/dbraw/zinc/08/49/91/171084991.db2.gz TVZSJNLEJDTEMC-UHFFFAOYSA-N 0 0 160.220 1.774 10 0 ADAERN CC(C)OC(=O)N1CCC(=O)CC1 39128487 171085004 /nfs/dbraw/zinc/08/50/04/171085004.db2.gz PQBPTUPEFJIEPC-UHFFFAOYSA-N 0 0 185.223 1.196 10 0 ADAERN Nc1ccc(Cl)cc1-c1nc[nH]n1 42040868 171085031 /nfs/dbraw/zinc/08/50/31/171085031.db2.gz YLZNCOGLABONRN-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN CC(C)=C1C=C[C@H]2O[C@@H]12 39131871 171085037 /nfs/dbraw/zinc/08/50/37/171085037.db2.gz URDUJUZQSWLGLH-SFYZADRCSA-N 0 0 122.167 1.660 10 0 ADAERN O=c1ccc(O)c2[nH]cccc1-2 39194291 171085065 /nfs/dbraw/zinc/08/50/65/171085065.db2.gz FBLZWWDWBRMCSE-UHFFFAOYSA-N 0 0 161.160 1.646 10 0 ADAERN O=C1N=NC(C2CC2)S1 39140536 171085068 /nfs/dbraw/zinc/08/50/68/171085068.db2.gz KEPDGEBJDUSUQZ-UHFFFAOYSA-N 0 0 142.183 1.121 10 0 ADAERN O=c1ccc(=O)c2[nH]cc[nH]c1=2 39248924 171085089 /nfs/dbraw/zinc/08/50/89/171085089.db2.gz PZOYXODCXVBGNQ-UHFFFAOYSA-N 0 0 162.148 1.041 10 0 ADAERN Nc1nc[nH]c1-c1ccncc1 39132790 171085100 /nfs/dbraw/zinc/08/51/00/171085100.db2.gz TXPMDXGLENQPIN-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN [O-][n+]1ccnc(Cl)c1Cl 39216041 171085202 /nfs/dbraw/zinc/08/52/02/171085202.db2.gz QDTKCUWERCZEIY-UHFFFAOYSA-N 0 0 164.979 1.022 10 0 ADAERN CC(C)=C1C=C[C@@H]2O[C@H]12 39131870 171085235 /nfs/dbraw/zinc/08/52/35/171085235.db2.gz URDUJUZQSWLGLH-JGVFFNPUSA-N 0 0 122.167 1.660 10 0 ADAERN [O-][n+]1c(Cl)cnc2ccccc21 39193164 171085241 /nfs/dbraw/zinc/08/52/41/171085241.db2.gz BLJRCNDVGFSQOX-UHFFFAOYSA-N 0 0 180.594 1.522 10 0 ADAERN CN1C(=O)C(=O)c2c(F)cc(F)cc21 42134926 171085261 /nfs/dbraw/zinc/08/52/61/171085261.db2.gz WZOBHXQCADVRLK-UHFFFAOYSA-N 0 0 197.140 1.124 10 0 ADAERN CC(C)C(=O)N(C)c1ccncc1N 42140243 171085485 /nfs/dbraw/zinc/08/54/85/171085485.db2.gz KXUDMBCLGUPJTB-UHFFFAOYSA-N 0 0 193.250 1.283 10 0 ADAERN COC(=N)CC(F)(F)F 42413456 171085526 /nfs/dbraw/zinc/08/55/26/171085526.db2.gz MUQYAVYAAIVKOV-UHFFFAOYSA-N 0 0 141.092 1.562 10 0 ADAERN Cc1ccccc1CN(C)C(N)=S 42436107 171085602 /nfs/dbraw/zinc/08/56/02/171085602.db2.gz AHTQVQFPEMIPIX-UHFFFAOYSA-N 0 0 194.303 1.670 10 0 ADAERN C[S@@](=O)c1c(F)cc(N)cc1F 42198563 171085679 /nfs/dbraw/zinc/08/56/79/171085679.db2.gz SYGYZGQVWNEYJE-LBPRGKRZSA-N 0 0 191.202 1.284 10 0 ADAERN CC(=O)CSc1cnn(C)c1 42406525 171085859 /nfs/dbraw/zinc/08/58/59/171085859.db2.gz VZTTXDHXXIAITJ-UHFFFAOYSA-N 0 0 170.237 1.101 10 0 ADAERN CC1(C)COCCN1[C@@H]1CCCC1=O 42462590 171085903 /nfs/dbraw/zinc/08/59/03/171085903.db2.gz NNMNSSHNLIMDRJ-SECBINFHSA-N 0 0 197.278 1.219 10 0 ADAERN CC1(C)COCCN1[C@H]1CCCC1=O 42462592 171085918 /nfs/dbraw/zinc/08/59/18/171085918.db2.gz NNMNSSHNLIMDRJ-VIFPVBQESA-N 0 0 197.278 1.219 10 0 ADAERN C[S@@](=O)c1nc2cc(N)ccc2o1 42196426 171085929 /nfs/dbraw/zinc/08/59/29/171085929.db2.gz MEYVLIQEXBYOBR-ZDUSSCGKSA-N 0 0 196.231 1.147 10 0 ADAERN C[S@@](=O)c1nc2ccc(N)cc2o1 42195403 171085944 /nfs/dbraw/zinc/08/59/44/171085944.db2.gz NTJLDKBIWOYJOP-ZDUSSCGKSA-N 0 0 196.231 1.147 10 0 ADAERN COC(=O)[C@@H]1CCn2cccc21 39291806 171086468 /nfs/dbraw/zinc/08/64/68/171086468.db2.gz RCYRFVQGTJTDQC-SSDOTTSWSA-N 0 0 165.192 1.148 10 0 ADAERN CC[NH+](CC)[C@@H](C)CCCC(=O)[O-] 82391628 171086638 /nfs/dbraw/zinc/08/66/38/171086638.db2.gz FBXWBGQUKJIBKI-VIFPVBQESA-N 0 0 187.283 1.972 10 0 ADAERN [NH3+]CC1(C[P@@H](=O)[O-])CCCCC1 42920082 171086763 /nfs/dbraw/zinc/08/67/63/171086763.db2.gz MCCYTXPRVBAPLY-UHFFFAOYSA-N 0 0 191.211 1.363 10 0 ADAERN COc1ccccc1CCON 42750225 171086773 /nfs/dbraw/zinc/08/67/73/171086773.db2.gz HDUZKBWZKNWXPV-UHFFFAOYSA-N 0 0 167.208 1.128 10 0 ADAERN COC(=O)[C@H]1CCn2cccc21 39291808 171086789 /nfs/dbraw/zinc/08/67/89/171086789.db2.gz RCYRFVQGTJTDQC-ZETCQYMHSA-N 0 0 165.192 1.148 10 0 ADAERN NC(=O)c1ccc2[nH]c(=S)[nH]c2c1 43160241 171087457 /nfs/dbraw/zinc/08/74/57/171087457.db2.gz MQSRCSVSMSOISM-UHFFFAOYSA-N 0 0 193.231 1.324 10 0 ADAERN O=[N+]([O-])O[C@H]1CCCCCC[C@@H]1O 43061526 171087594 /nfs/dbraw/zinc/08/75/94/171087594.db2.gz IWKAONCFSJZOOC-YUMQZZPRSA-N 0 0 189.211 1.278 10 0 in-vivo ADAERN O=[N+]([O-])O[C@H]1CCC=CCC[C@@H]1O 43068121 171087710 /nfs/dbraw/zinc/08/77/10/171087710.db2.gz REBYIDFAUZAPBV-YUMQZZPRSA-N 0 0 187.195 1.054 10 0 ADAERN O=Cc1ccccc1C1OCCO1 43502263 171087841 /nfs/dbraw/zinc/08/78/41/171087841.db2.gz YNWFBJINYXHJDW-UHFFFAOYSA-N 0 0 178.187 1.545 10 0 ADAERN CC(=O)CCCCC1OCCO1 43502087 171087871 /nfs/dbraw/zinc/08/78/71/171087871.db2.gz XRQVWVDGSDPTCL-UHFFFAOYSA-N 0 0 172.224 1.509 10 0 ADAERN COc1ccc(OC)c(C(=O)C=O)c1 83224419 171087919 /nfs/dbraw/zinc/08/79/19/171087919.db2.gz QGQCSAVNMDJXGP-UHFFFAOYSA-N 0 0 194.186 1.085 10 0 ADAERN Cc1ccnc(-n2ccc(N)n2)c1 43561861 171087950 /nfs/dbraw/zinc/08/79/50/171087950.db2.gz MXXGWMLOLJCHIL-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN FC(F)(F)[C@@H]1CC=CCN1 43464381 171087984 /nfs/dbraw/zinc/08/79/84/171087984.db2.gz FMZYNUZOTHIAJG-YFKPBYRVSA-N 0 0 151.131 1.467 10 0 ADAERN COc1ccccc1NCCCCO 43445288 171087996 /nfs/dbraw/zinc/08/79/96/171087996.db2.gz PTDVVQDFVRZRDG-UHFFFAOYSA-N 0 0 195.262 1.880 10 0 ADAERN Cc1ccnc(-n2cc(N)cn2)c1 43561858 171088037 /nfs/dbraw/zinc/08/80/37/171088037.db2.gz JKXWBFHQVCOPDU-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN OCCSc1nccnc1Cl 43538480 171088105 /nfs/dbraw/zinc/08/81/05/171088105.db2.gz NVXTXHLZIZOLQC-UHFFFAOYSA-N 0 0 190.655 1.214 10 0 ADAERN Cc1ccnc(N2CCC[C@H]2CO)c1 43561850 171088174 /nfs/dbraw/zinc/08/81/74/171088174.db2.gz ADYDYYONLOGMLE-JTQLQIEISA-N 0 0 192.262 1.351 10 0 ADAERN CC(=O)CCC1OCCCO1 43502086 171088193 /nfs/dbraw/zinc/08/81/93/171088193.db2.gz GLRNIFQTDVYVQR-UHFFFAOYSA-N 0 0 158.197 1.119 10 0 ADAERN Cc1ccnc(N2CCC[C@@H]2CO)c1 43561849 171088223 /nfs/dbraw/zinc/08/82/23/171088223.db2.gz ADYDYYONLOGMLE-SNVBAGLBSA-N 0 0 192.262 1.351 10 0 ADAERN NC(=S)Cc1cc(F)ccc1F 43458699 171088294 /nfs/dbraw/zinc/08/82/94/171088294.db2.gz WNNYRVSIIJETLP-UHFFFAOYSA-N 0 0 187.214 1.793 10 0 ADAERN CC(=O)C[C@@H]1COC(C)(C)O1 43502078 171088388 /nfs/dbraw/zinc/08/83/88/171088388.db2.gz NJLVCNIPMCMCCK-SSDOTTSWSA-N 0 0 158.197 1.117 10 0 ADAERN CC(C)=C1C=CC(=O)N1C 39407619 171088621 /nfs/dbraw/zinc/08/86/21/171088621.db2.gz QQMNKXGMSTZORC-UHFFFAOYSA-N 0 0 137.182 1.309 10 0 ADAERN O=c1cc(-c2ccncc2)cc[nH]1 44118754 171088706 /nfs/dbraw/zinc/08/87/06/171088706.db2.gz VLZWWMQBLLDTKV-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN CC(C)c1cn2ccnc2c(N)n1 44120722 171088710 /nfs/dbraw/zinc/08/87/10/171088710.db2.gz IEVXDXSCSTVDNZ-UHFFFAOYSA-N 0 0 176.223 1.435 10 0 ADAERN Cc1ccnc(-n2ncc(N)c2C)c1 43671701 171088723 /nfs/dbraw/zinc/08/87/23/171088723.db2.gz LUJGDNQIYXFKNA-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN O=c1nc(-c2cccc(F)c2)cc[nH]1 44117128 171088822 /nfs/dbraw/zinc/08/88/22/171088822.db2.gz UFUYRUBMLFIZGC-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN Cc1ccnc(-n2cccn2)c1 43671682 171088847 /nfs/dbraw/zinc/08/88/47/171088847.db2.gz UZTPXNCJCYPCGV-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN Cc1ccnc(-n2cc(C=O)cn2)c1 43671263 171088860 /nfs/dbraw/zinc/08/88/60/171088860.db2.gz XXFBGDSTNPLUGO-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN O=c1cc(-c2ccccn2)cc[nH]1 44118736 171088871 /nfs/dbraw/zinc/08/88/71/171088871.db2.gz RYLSCHMVVOKTJO-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1cc(-c2ccco2)cc[nH]1 44118895 171088874 /nfs/dbraw/zinc/08/88/74/171088874.db2.gz AOAVIXOIKIIEPG-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN O=c1cc(-c2cccnc2)cc[nH]1 44118745 171088882 /nfs/dbraw/zinc/08/88/82/171088882.db2.gz LLSBESZGGOYNKY-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN Cc1ccnc(-n2cc(C)cn2)c1 43671687 171088895 /nfs/dbraw/zinc/08/88/95/171088895.db2.gz XWRVITBYYPXAGN-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN O=c1nc(-c2ccccc2F)cc[nH]1 44117185 171088910 /nfs/dbraw/zinc/08/89/10/171088910.db2.gz CPQHXFHCSBNIHS-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1nc(-c2ccc(F)cc2)cc[nH]1 44117125 171089008 /nfs/dbraw/zinc/08/90/08/171089008.db2.gz FKGIAIKCLAWENR-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=C1[N-]C(=O)[C@@H](c2ccsc2)O1 39350274 171089019 /nfs/dbraw/zinc/08/90/19/171089019.db2.gz YNPAMTVSUKRXBH-RXMQYKEDSA-N 0 0 183.188 1.056 10 0 ADAERN CC(C)c1cccc[n+]1[O-] 39414304 171089070 /nfs/dbraw/zinc/08/90/70/171089070.db2.gz VJYVBCPJWGIGFV-UHFFFAOYSA-N 0 0 137.182 1.443 10 0 ADAERN O=c1cc(-c2ccoc2)cc[nH]1 44120396 171089153 /nfs/dbraw/zinc/08/91/53/171089153.db2.gz XGBPIZCARRQZCJ-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN CCCC1=NCC(=O)S1 44119616 171089175 /nfs/dbraw/zinc/08/91/75/171089175.db2.gz UEURSXVUHBDIHN-UHFFFAOYSA-N 0 0 143.211 1.801 10 0 ADAERN CC(C)c1cn2ccnc2c(=O)[nH]1 44120726 171089178 /nfs/dbraw/zinc/08/91/78/171089178.db2.gz YBKANMVGXNYLBA-UHFFFAOYSA-N 0 0 177.207 1.146 10 0 ADAERN Cc1ccnc(-n2nccc2C)c1 43671698 171089191 /nfs/dbraw/zinc/08/91/91/171089191.db2.gz XAICUJMFEYTVPB-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN OCC1(C2OCCO2)CCCCC1 39397615 171089242 /nfs/dbraw/zinc/08/92/42/171089242.db2.gz QRLSTKFUQDHLPV-UHFFFAOYSA-N 0 0 186.251 1.302 10 0 ADAERN COc1ccc(O)c2c1NC(=O)CC2 39382554 171089257 /nfs/dbraw/zinc/08/92/57/171089257.db2.gz GGLWKQKWRMCMSN-UHFFFAOYSA-N 0 0 193.202 1.286 10 0 ADAERN Cc1ccccc1[C@@H](C[NH3+])C(=O)[O-] 44196463 171089494 /nfs/dbraw/zinc/08/94/94/171089494.db2.gz IXLJDFGGCNJOGY-SECBINFHSA-N 0 0 179.219 1.122 10 0 ADAERN CC(/C=C/C(N)=O)=C\c1ccco1 44259199 171089504 /nfs/dbraw/zinc/08/95/04/171089504.db2.gz IJYHKPXROIYLID-AOSYACOCSA-N 0 0 177.203 1.724 10 0 ADAERN Cc1ccccc1[C@H](C[NH3+])C(=O)[O-] 44196467 171089509 /nfs/dbraw/zinc/08/95/09/171089509.db2.gz IXLJDFGGCNJOGY-VIFPVBQESA-N 0 0 179.219 1.122 10 0 ADAERN OCC/C=C/[C@@H]1CCCO1 206914819 171089538 /nfs/dbraw/zinc/08/95/38/171089538.db2.gz CTFVJILIRRWVNT-YKXFLQSUSA-N 0 0 142.198 1.104 10 0 ADAERN F[C@@H](C1OCCO1)C(F)(F)F 44231644 171089579 /nfs/dbraw/zinc/08/95/79/171089579.db2.gz XKJOWCXWQFTAOL-VKHMYHEASA-N 0 0 174.093 1.260 10 0 ADAERN CC[C@@H]1CCC[C@]12ON2CCO 206995642 171089663 /nfs/dbraw/zinc/08/96/63/171089663.db2.gz XMMFANVSKZWBSJ-ZDGBYWQASA-N 0 0 171.240 1.132 10 0 ADAERN CC(C)/C=C/C=C/C(N)=O 44261784 171089699 /nfs/dbraw/zinc/08/96/99/171089699.db2.gz ZUIDWQQHBOWXFL-GGWOSOGESA-N 0 0 139.198 1.240 10 0 ADAERN Oc1cccc(C2OCCO2)c1 39472251 171089774 /nfs/dbraw/zinc/08/97/74/171089774.db2.gz ORZIHESPONWBAJ-UHFFFAOYSA-N 0 0 166.176 1.438 10 0 ADAERN OCC/C=C/[C@H]1CCCO1 206914734 171089804 /nfs/dbraw/zinc/08/98/04/171089804.db2.gz CTFVJILIRRWVNT-WTJMVXMFSA-N 0 0 142.198 1.104 10 0 ADAERN O=[N+]([O-])C1=Cc2ccccc2OC1 39437781 171089853 /nfs/dbraw/zinc/08/98/53/171089853.db2.gz PNXCGUHRJZGVPT-UHFFFAOYSA-N 0 0 177.159 1.697 10 0 ADAERN Nc1ccc(Cl)cc1C1OCCO1 44231886 171089909 /nfs/dbraw/zinc/08/99/09/171089909.db2.gz AQRUCTQFLHBMPF-UHFFFAOYSA-N 0 0 199.637 1.968 10 0 ADAERN [NH3+]C/C(Cl)=C\Cl 44249287 171089961 /nfs/dbraw/zinc/08/99/61/171089961.db2.gz ZBQLNGPKALTYHE-HNQUOIGGSA-N 0 0 125.986 1.264 10 0 ADAERN CCCCCCC(=O)C[NH3+] 44249074 171089984 /nfs/dbraw/zinc/08/99/84/171089984.db2.gz NACDWFXPFSCTPL-UHFFFAOYSA-N 0 0 143.230 1.485 10 0 ADAERN F[C@H](C1OCCO1)C(F)(F)F 44231648 171090031 /nfs/dbraw/zinc/09/00/31/171090031.db2.gz XKJOWCXWQFTAOL-GSVOUGTGSA-N 0 0 174.093 1.260 10 0 ADAERN [NH3+]CC(C(=O)[O-])=C1CCCCC1 44250272 171090034 /nfs/dbraw/zinc/09/00/34/171090034.db2.gz VIQCJUKTVDEHFT-UHFFFAOYSA-N 0 0 169.224 1.290 10 0 ADAERN OCCCc1cc(F)cc(F)c1O 44396128 171090273 /nfs/dbraw/zinc/09/02/73/171090273.db2.gz KENVTWWLTQYLFH-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN [NH3+]CC/C(Cl)=C(\Cl)C(=O)[O-] 44396494 171090454 /nfs/dbraw/zinc/09/04/54/171090454.db2.gz NPEOOOGICRSOSQ-ONEGZZNKSA-N 0 0 184.022 1.109 10 0 ADAERN NC(=O)c1csc(-n2cccc2)n1 44448464 171090470 /nfs/dbraw/zinc/09/04/70/171090470.db2.gz ZFINXRQSLSVWJY-UHFFFAOYSA-N 0 0 193.231 1.033 10 0 ADAERN OCCCc1c(O)cccc1F 44396231 171090562 /nfs/dbraw/zinc/09/05/62/171090562.db2.gz QBPWMTXRFBIYKU-UHFFFAOYSA-N 0 0 170.183 1.456 10 0 ADAERN Nc1ccc2[nH]cc(CCCO)c2c1 44396070 171090585 /nfs/dbraw/zinc/09/05/85/171090585.db2.gz NVDMMCDKDHPAAU-UHFFFAOYSA-N 0 0 190.246 1.675 10 0 ADAERN OCCCc1c(O)cc(F)cc1F 44382822 171090642 /nfs/dbraw/zinc/09/06/42/171090642.db2.gz HFRSKLUJXISOFV-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN OCCCc1cc(F)ccc1O 44396232 171090702 /nfs/dbraw/zinc/09/07/02/171090702.db2.gz YICLHYNASBWWLJ-UHFFFAOYSA-N 0 0 170.183 1.456 10 0 ADAERN Nc1ccc2[nH]c(-n3cccn3)nc2c1 83824670 171090739 /nfs/dbraw/zinc/09/07/39/171090739.db2.gz RZFFUNZMOMFXTP-UHFFFAOYSA-N 0 0 199.217 1.331 10 0 ADAERN NC(=O)c1cccc(NC2CCC2)c1 44480280 171090744 /nfs/dbraw/zinc/09/07/44/171090744.db2.gz WQGQWZWXBRTMKT-UHFFFAOYSA-N 0 0 190.246 1.750 10 0 ADAERN Nc1ccc(Cl)cc1CCCO 44396160 171090755 /nfs/dbraw/zinc/09/07/55/171090755.db2.gz CGMWXQOKIRWQGC-UHFFFAOYSA-N 0 0 185.654 1.847 10 0 ADAERN OCCCc1cc(O)ccc1O 44396240 171090802 /nfs/dbraw/zinc/09/08/02/171090802.db2.gz RYBASNPKFUXSHE-UHFFFAOYSA-N 0 0 168.192 1.023 10 0 ADAERN NC(=S)N1CCC[C@H]1C1CCCC1 45086003 171090940 /nfs/dbraw/zinc/09/09/40/171090940.db2.gz BDEBFKCNGHETBZ-VIFPVBQESA-N 0 0 198.335 1.885 10 0 ADAERN C[C@H]1C[NH+]=C(N[C@@H]2CC2(C)C)S1 45136059 171091093 /nfs/dbraw/zinc/09/10/93/171091093.db2.gz VARVRSNTOHVRMO-NKWVEPMBSA-N 0 0 184.308 1.866 10 0 ADAERN C[C@@H]1C[NH+]=C(N[C@H]2CC2(C)C)S1 45136060 171091116 /nfs/dbraw/zinc/09/11/16/171091116.db2.gz VARVRSNTOHVRMO-RQJHMYQMSA-N 0 0 184.308 1.866 10 0 ADAERN C[C@H]1C[NH+]=C(N[C@H]2CC2(C)C)S1 45136061 171091123 /nfs/dbraw/zinc/09/11/23/171091123.db2.gz VARVRSNTOHVRMO-BQBZGAKWSA-N 0 0 184.308 1.866 10 0 ADAERN NC(=S)N[C@@H]1C[C@@H]1c1ccccc1 44677883 171091133 /nfs/dbraw/zinc/09/11/33/171091133.db2.gz SYKJUYTYZAWSHR-RKDXNWHRSA-N 0 0 192.287 1.376 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1cc(N)c[nH]1 45115058 171091192 /nfs/dbraw/zinc/09/11/92/171091192.db2.gz BHZUALUUPUWJMF-MRVPVSSYSA-N 0 0 193.250 1.125 10 0 ADAERN NC(=S)N1CCC[C@@H]1C1CCCC1 45086006 171091337 /nfs/dbraw/zinc/09/13/37/171091337.db2.gz BDEBFKCNGHETBZ-SECBINFHSA-N 0 0 198.335 1.885 10 0 ADAERN NC(=O)c1cccc2c1OCCC2 44676087 171091444 /nfs/dbraw/zinc/09/14/44/171091444.db2.gz LZLLJMVRSOKHIF-UHFFFAOYSA-N 0 0 177.203 1.111 10 0 ADAERN C[C@@H]1C[NH+]=C(N[C@@H]2CC2(C)C)S1 45136058 171091479 /nfs/dbraw/zinc/09/14/79/171091479.db2.gz VARVRSNTOHVRMO-RNFRBKRXSA-N 0 0 184.308 1.866 10 0 ADAERN C=CC(=O)N(C)CC(C)(C)C 45085303 171091587 /nfs/dbraw/zinc/09/15/87/171091587.db2.gz DEXLQGFCPHAZDB-UHFFFAOYSA-N 0 0 155.241 1.677 10 0 ADAERN CC1(C)C[C@H]1NC(=O)n1ccnc1 45136349 171091592 /nfs/dbraw/zinc/09/15/92/171091592.db2.gz WQAPBHUOOAKGTK-SSDOTTSWSA-N 0 0 179.223 1.239 10 0 ADAERN Cc1ccc2[nH]cc(C=O)c2n1 44712875 171091665 /nfs/dbraw/zinc/09/16/65/171091665.db2.gz AEKATDZBNMRHRK-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN C=CC(=O)N(C)Cc1csc(C)n1 44609657 171091692 /nfs/dbraw/zinc/09/16/92/171091692.db2.gz ZKAWRJXJIGMEMH-UHFFFAOYSA-N 0 0 196.275 1.596 10 0 ADAERN c1c2c(cc3[nH]nnc13)CCCN2 45317653 171092008 /nfs/dbraw/zinc/09/20/08/171092008.db2.gz UNEOSLNHTISOQG-UHFFFAOYSA-N 0 0 174.207 1.316 10 0 ADAERN NOCc1nc2ccccc2s1 45235804 171092057 /nfs/dbraw/zinc/09/20/57/171092057.db2.gz YGAWPVSHKADCLL-UHFFFAOYSA-N 0 0 180.232 1.687 10 0 ADAERN CN(C)c1nc2c(N)cccc2[nH]1 45238638 171092119 /nfs/dbraw/zinc/09/21/19/171092119.db2.gz LQBCXBVDPPCWDE-UHFFFAOYSA-N 0 0 176.223 1.211 10 0 ADAERN NCC(=O)c1nc2ccccc2s1 45236931 171092234 /nfs/dbraw/zinc/09/22/34/171092234.db2.gz PFVQXTXISSEQRT-UHFFFAOYSA-N 0 0 192.243 1.438 10 0 ADAERN COc1ccc(O)c2ncn(C)c12 45238261 171092269 /nfs/dbraw/zinc/09/22/69/171092269.db2.gz LUAXQFABZGIXBR-UHFFFAOYSA-N 0 0 178.191 1.288 10 0 ADAERN COc1ccc(O)c2[nH]cnc12 45238262 171092285 /nfs/dbraw/zinc/09/22/85/171092285.db2.gz HJNMOSLKFRAQKR-UHFFFAOYSA-N 0 0 164.164 1.277 10 0 ADAERN C=CC(=C)n1c(=O)[nH]c2ccccc21 45238386 171092318 /nfs/dbraw/zinc/09/23/18/171092318.db2.gz JRHBHWTYNMFRCO-UHFFFAOYSA-N 0 0 186.214 1.986 10 0 ADAERN CN1CCc2cc(C=O)sc2C1 45205998 171092344 /nfs/dbraw/zinc/09/23/44/171092344.db2.gz QSLYIONTCMQYPR-UHFFFAOYSA-N 0 0 181.260 1.549 10 0 ADAERN NC(=S)Cc1ccc2c(c1)OCO2 45203077 171092456 /nfs/dbraw/zinc/09/24/56/171092456.db2.gz GZFONQFKYDROGM-UHFFFAOYSA-N 0 0 195.243 1.244 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])C[C@H]2CCCC[C@@H]21 45340321 171092458 /nfs/dbraw/zinc/09/24/58/171092458.db2.gz LZBLSYMXABKJKB-WCABBAIRSA-N 0 0 197.278 1.616 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])C[C@@H]2CCCC[C@H]21 45340319 171092486 /nfs/dbraw/zinc/09/24/86/171092486.db2.gz LZBLSYMXABKJKB-IQJOONFLSA-N 0 0 197.278 1.616 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])CC[C@H]2CCC[C@@H]21 45340315 171092527 /nfs/dbraw/zinc/09/25/27/171092527.db2.gz DGXOVQRMMMLUCG-WCABBAIRSA-N 0 0 197.278 1.616 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])CC[C@@H]2CCC[C@@H]21 45340317 171092567 /nfs/dbraw/zinc/09/25/67/171092567.db2.gz DGXOVQRMMMLUCG-ATZCPNFKSA-N 0 0 197.278 1.616 10 0 ADAERN [O-]c1c(Cl)cc(O)c2[nH]c[nH+]c12 45238427 171092627 /nfs/dbraw/zinc/09/26/27/171092627.db2.gz QZHGTNUEJJZPEB-UHFFFAOYSA-N 0 0 184.582 1.628 10 0 ADAERN NC(=O)c1nc2c(O)cccc2s1 45235860 171092669 /nfs/dbraw/zinc/09/26/69/171092669.db2.gz FMFHBFZTESFEJK-UHFFFAOYSA-N 0 0 194.215 1.101 10 0 ADAERN OC[C@@H]1C[C@@H](c2ccccc2)O1 196484701 171092713 /nfs/dbraw/zinc/09/27/13/171092713.db2.gz RHDWQQSYKQBDGI-UWVGGRQHSA-N 0 0 164.204 1.509 10 0 ADAERN CN(C)c1nc(Cl)c(CO)s1 45206297 171092717 /nfs/dbraw/zinc/09/27/17/171092717.db2.gz VLNMFYNIMLGPJD-UHFFFAOYSA-N 0 0 192.671 1.355 10 0 ADAERN COC(=O)c1[nH]ccc1C(C)=O 45793052 171092959 /nfs/dbraw/zinc/09/29/59/171092959.db2.gz SMIRQTBGKLXLIU-UHFFFAOYSA-N 0 0 167.164 1.004 10 0 ADAERN NC(=O)c1ccn2ccccc12 45795808 171093008 /nfs/dbraw/zinc/09/30/08/171093008.db2.gz DHOQDVKLAJQFSP-UHFFFAOYSA-N 0 0 160.176 1.038 10 0 ADAERN Nc1[nH]c2ccccc2c1C=O 45823749 171093092 /nfs/dbraw/zinc/09/30/92/171093092.db2.gz KATBNCWXMVCJFA-UHFFFAOYSA-N 0 0 160.176 1.563 10 0 ADAERN Cc1ccc2[nH]c(C=O)nc2c1C 45820936 171093137 /nfs/dbraw/zinc/09/31/37/171093137.db2.gz KRUPFSGDOXDDHU-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN c1cnc2c(c1)ncc1nc[nH]c12 45821195 171093197 /nfs/dbraw/zinc/09/31/97/171093197.db2.gz IDUUCDZKSKUCOP-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN O=c1cc(C2CCCC2)[nH][nH]1 45809699 171093213 /nfs/dbraw/zinc/09/32/13/171093213.db2.gz JLGLTWNOEJRGGG-UHFFFAOYSA-N 0 0 152.197 1.773 10 0 ADAERN CC(=O)Nc1c(C)[nH]c(C=O)c1C 45814729 171093264 /nfs/dbraw/zinc/09/32/64/171093264.db2.gz YJAAYFFHAPTVOC-UHFFFAOYSA-N 0 0 180.207 1.402 10 0 ADAERN c1cnc2c(ccc3c[nH]nc32)n1 45823561 171093306 /nfs/dbraw/zinc/09/33/06/171093306.db2.gz BPXKEDVZMYDDTN-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN c1c[nH]c(-c2nc(C3CC3)no2)c1 45893715 171093393 /nfs/dbraw/zinc/09/33/93/171093393.db2.gz JHIVJLGNYIEGDX-UHFFFAOYSA-N 0 0 175.191 1.942 10 0 ADAERN CCc1[nH]c(=O)ccc1C 45787133 171093436 /nfs/dbraw/zinc/09/34/36/171093436.db2.gz VWBCYWNXJXZABS-UHFFFAOYSA-N 0 0 137.182 1.246 10 0 ADAERN C=Cc1c[nH]cc1C(=O)OC 45800824 171093437 /nfs/dbraw/zinc/09/34/37/171093437.db2.gz XAUVQUZQYJUCPF-UHFFFAOYSA-N 0 0 151.165 1.444 10 0 ADAERN c1cnc2cc3n[nH]cc3cc2n1 45823565 171093491 /nfs/dbraw/zinc/09/34/91/171093491.db2.gz HASUOSDQPRQNBS-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN Oc1cc(=S)[nH]c2[nH]c(=S)[nH]c12 45815028 171093520 /nfs/dbraw/zinc/09/35/20/171093520.db2.gz LJLQHJGURNLGNR-UHFFFAOYSA-N 0 0 199.260 1.989 10 0 ADAERN CC(=O)Nc1cccc2c1CCC2=O 45820449 171093547 /nfs/dbraw/zinc/09/35/47/171093547.db2.gz DEKMZWJFQSJULY-UHFFFAOYSA-N 0 0 189.214 1.774 10 0 ADAERN COC(=O)c1[nH]cc2c1CC(C)(C)C2 45813755 171093578 /nfs/dbraw/zinc/09/35/78/171093578.db2.gz QJGLHWNHCUOHEX-UHFFFAOYSA-N 0 0 193.246 1.926 10 0 ADAERN O=c1c(F)c[nH]cc1-c1cccnc1 47213249 171093672 /nfs/dbraw/zinc/09/36/72/171093672.db2.gz SBYFZOONGIJJFD-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN NC(=O)c1occ(Cl)c1Cl 85342975 171093748 /nfs/dbraw/zinc/09/37/48/171093748.db2.gz MQGXQEPKZQXNKM-UHFFFAOYSA-N 0 0 179.990 1.685 10 0 ADAERN OCCSc1ccnc(Cl)n1 48727874 171093810 /nfs/dbraw/zinc/09/38/10/171093810.db2.gz IAOBMGMGMBNMJX-UHFFFAOYSA-N 0 0 190.655 1.214 10 0 ADAERN Nc1n[nH]cc1-c1cc(F)cc(F)c1 49350548 171093950 /nfs/dbraw/zinc/09/39/50/171093950.db2.gz RUHIALAYOPRYFJ-UHFFFAOYSA-N 0 0 195.172 1.937 10 0 ADAERN Cc1ccccc1CN1CCC(=O)C1 48265865 171094078 /nfs/dbraw/zinc/09/40/78/171094078.db2.gz UAWSOKSSQBXSMZ-UHFFFAOYSA-N 0 0 189.258 1.770 10 0 ADAERN C/C=C/C(=O)Nc1ccccc1CO 49361810 171094136 /nfs/dbraw/zinc/09/41/36/171094136.db2.gz SEWAABXCMBQNFJ-GORDUTHDSA-N 0 0 191.230 1.694 10 0 ADAERN O=c1c(F)c[nH]cc1-c1ccncc1 47213252 171094181 /nfs/dbraw/zinc/09/41/81/171094181.db2.gz MNTKAZDIZNCQRH-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN NC(=O)c1cc(Cl)c(Cl)o1 85342974 171094219 /nfs/dbraw/zinc/09/42/19/171094219.db2.gz OFJJUVAENBOESN-UHFFFAOYSA-N 0 0 179.990 1.685 10 0 ADAERN NC(=S)NC(C1CC1)C1CC1 49236316 171094223 /nfs/dbraw/zinc/09/42/23/171094223.db2.gz CGUAYQWADYDNBU-UHFFFAOYSA-N 0 0 170.281 1.008 10 0 ADAERN O=C(OC1CCCC1)[C@@H]1CCCCN1 48632247 171094261 /nfs/dbraw/zinc/09/42/61/171094261.db2.gz YSVFBVMJVGRMIU-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN O=C(OC1CCCC1)[C@H]1CCCCN1 48632248 171094317 /nfs/dbraw/zinc/09/43/17/171094317.db2.gz YSVFBVMJVGRMIU-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN Cc1ccccc1[C@H](C)NC(N)=S 49526275 171094487 /nfs/dbraw/zinc/09/44/87/171094487.db2.gz OFPYKMNETJIXSY-QMMMGPOBSA-N 0 0 194.303 1.889 10 0 ADAERN COc1ccc(NC[C@@H](C)O)cc1C 49530104 171094538 /nfs/dbraw/zinc/09/45/38/171094538.db2.gz WLDDJUPNFFPTEU-SECBINFHSA-N 0 0 195.262 1.796 10 0 ADAERN COc1ccc(NC[C@H](C)O)cc1C 49530105 171094546 /nfs/dbraw/zinc/09/45/46/171094546.db2.gz WLDDJUPNFFPTEU-VIFPVBQESA-N 0 0 195.262 1.796 10 0 ADAERN NC(=S)COCc1cccs1 49585575 171094561 /nfs/dbraw/zinc/09/45/61/171094561.db2.gz RVDDTLCOIFXPJO-UHFFFAOYSA-N 0 0 187.289 1.551 10 0 ADAERN COc1ccc(NCCO)cc1C 49529984 171094564 /nfs/dbraw/zinc/09/45/64/171094564.db2.gz NYKNOXREHPKQRZ-UHFFFAOYSA-N 0 0 181.235 1.408 10 0 ADAERN Cc1ccccc1[C@@H](C)NC(N)=S 49526274 171094700 /nfs/dbraw/zinc/09/47/00/171094700.db2.gz OFPYKMNETJIXSY-MRVPVSSYSA-N 0 0 194.303 1.889 10 0 ADAERN CC1(C)CO[C@H](c2ccco2)N1 49804872 171094938 /nfs/dbraw/zinc/09/49/38/171094938.db2.gz HLYMZNAWVAKJJG-MRVPVSSYSA-N 0 0 167.208 1.677 10 0 ADAERN Cc1ccccc1[C@H](O)CNO 49804874 171094951 /nfs/dbraw/zinc/09/49/51/171094951.db2.gz XRQZAKVKKJEIFP-SECBINFHSA-N 0 0 167.208 1.007 10 0 ADAERN CC1(C)CO[C@H](c2ccccn2)N1 49805434 171094957 /nfs/dbraw/zinc/09/49/57/171094957.db2.gz ROYVIBKVLAJTBR-SECBINFHSA-N 0 0 178.235 1.479 10 0 ADAERN OC[C@@H]1CO[C@@H](c2ccc(F)cc2)O1 49811859 171094960 /nfs/dbraw/zinc/09/49/60/171094960.db2.gz YYEBGSFYZJMQQC-NXEZZACHSA-N 0 0 198.193 1.232 10 0 ADAERN OC[C@H]1CO[C@@H](c2ccc(F)cc2)O1 49811857 171094965 /nfs/dbraw/zinc/09/49/65/171094965.db2.gz YYEBGSFYZJMQQC-VHSXEESVSA-N 0 0 198.193 1.232 10 0 ADAERN CC1(C)CO[C@@H](c2ccccn2)N1 49805435 171095006 /nfs/dbraw/zinc/09/50/06/171095006.db2.gz ROYVIBKVLAJTBR-VIFPVBQESA-N 0 0 178.235 1.479 10 0 ADAERN Cc1ccccc1NC(=O)CCO 49805508 171095041 /nfs/dbraw/zinc/09/50/41/171095041.db2.gz DPEOLQYKCYBPJR-UHFFFAOYSA-N 0 0 179.219 1.316 10 0 ADAERN OC[C@@H]1CO[C@@H](c2ccccc2F)O1 49811855 171095045 /nfs/dbraw/zinc/09/50/45/171095045.db2.gz YUKLFJSJCJPJGE-GMSGAONNSA-N 0 0 198.193 1.232 10 0 ADAERN OC[C@@H]1CO[C@H](c2ccccc2F)O1 49811856 171095048 /nfs/dbraw/zinc/09/50/48/171095048.db2.gz YUKLFJSJCJPJGE-XCBNKYQSSA-N 0 0 198.193 1.232 10 0 ADAERN OC[C@H]1CO[C@@H](c2ccccc2F)O1 49811853 171095050 /nfs/dbraw/zinc/09/50/50/171095050.db2.gz YUKLFJSJCJPJGE-OIBJUYFYSA-N 0 0 198.193 1.232 10 0 ADAERN OC[C@H]1CO[C@H](c2cccs2)O1 49806052 171095052 /nfs/dbraw/zinc/09/50/52/171095052.db2.gz XFCJVUKPMOOGCU-XPUUQOCRSA-N 0 0 186.232 1.154 10 0 ADAERN OC[C@@H]1CO[C@@H](c2cccs2)O1 49806053 171095060 /nfs/dbraw/zinc/09/50/60/171095060.db2.gz XFCJVUKPMOOGCU-HTRCEHHLSA-N 0 0 186.232 1.154 10 0 ADAERN Oc1cccc([C@H]2NCCCO2)c1 49805504 171095117 /nfs/dbraw/zinc/09/51/17/171095117.db2.gz LUDUUDNXKBKCGA-JTQLQIEISA-N 0 0 179.219 1.401 10 0 ADAERN Cc1ccccc1OC(=O)[C@@H](C)N 49805516 171095120 /nfs/dbraw/zinc/09/51/20/171095120.db2.gz NNUDYEVELREZHI-MRVPVSSYSA-N 0 0 179.219 1.248 10 0 ADAERN CN(C)C(=O)C(=O)c1cccs1 49805850 171095127 /nfs/dbraw/zinc/09/51/27/171095127.db2.gz BPKSCYNCYMMQEL-UHFFFAOYSA-N 0 0 183.232 1.019 10 0 ADAERN Cc1ccccc1OC(=O)[C@H](C)N 49805517 171095137 /nfs/dbraw/zinc/09/51/37/171095137.db2.gz NNUDYEVELREZHI-QMMMGPOBSA-N 0 0 179.219 1.248 10 0 ADAERN Cc1ccccc1[C@@H](O)CNO 49804875 171095141 /nfs/dbraw/zinc/09/51/41/171095141.db2.gz XRQZAKVKKJEIFP-VIFPVBQESA-N 0 0 167.208 1.007 10 0 ADAERN OC[C@H]1CO[C@@H](c2cccs2)O1 49806051 171095179 /nfs/dbraw/zinc/09/51/79/171095179.db2.gz XFCJVUKPMOOGCU-POYBYMJQSA-N 0 0 186.232 1.154 10 0 ADAERN O=c1ncc(-c2ccccc2F)c[nH]1 49806540 171095234 /nfs/dbraw/zinc/09/52/34/171095234.db2.gz QXYJCGQWIVNTEP-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN OC[C@H]1CO[C@H](c2ccc(F)cc2)O1 49811858 171095246 /nfs/dbraw/zinc/09/52/46/171095246.db2.gz YYEBGSFYZJMQQC-UWVGGRQHSA-N 0 0 198.193 1.232 10 0 ADAERN Cc1ccccc1C(CO)CO 49804855 171095247 /nfs/dbraw/zinc/09/52/47/171095247.db2.gz MHFJMUSSHLONBW-UHFFFAOYSA-N 0 0 166.220 1.063 10 0 ADAERN OC[C@@H]1CO[C@H](c2ccc(F)cc2)O1 49811860 171095261 /nfs/dbraw/zinc/09/52/61/171095261.db2.gz YYEBGSFYZJMQQC-ZJUUUORDSA-N 0 0 198.193 1.232 10 0 ADAERN O=c1ncc(-c2ccc(F)cc2)c[nH]1 49806541 171095278 /nfs/dbraw/zinc/09/52/78/171095278.db2.gz DEIFSYDIAKJGKZ-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN CC1(C)CO[C@@H](c2ccco2)N1 49804873 171095292 /nfs/dbraw/zinc/09/52/92/171095292.db2.gz HLYMZNAWVAKJJG-QMMMGPOBSA-N 0 0 167.208 1.677 10 0 ADAERN OC[C@@H]1CO[C@H](c2cccs2)O1 49806054 171095310 /nfs/dbraw/zinc/09/53/10/171095310.db2.gz XFCJVUKPMOOGCU-SVRRBLITSA-N 0 0 186.232 1.154 10 0 ADAERN OC[C@H]1CO[C@H](c2ccccc2F)O1 49811854 171095317 /nfs/dbraw/zinc/09/53/17/171095317.db2.gz YUKLFJSJCJPJGE-XVKPBYJWSA-N 0 0 198.193 1.232 10 0 ADAERN Oc1cccc([C@@H]2NCCCO2)c1 49805503 171095324 /nfs/dbraw/zinc/09/53/24/171095324.db2.gz LUDUUDNXKBKCGA-SNVBAGLBSA-N 0 0 179.219 1.401 10 0 ADAERN CCCc1ncsc1N 50308033 171095675 /nfs/dbraw/zinc/09/56/75/171095675.db2.gz IJXQBNKIOLRPOR-UHFFFAOYSA-N 0 0 142.227 1.678 10 0 ADAERN O[C@@H](C1=CCCC1)C1CC1 50329079 171095683 /nfs/dbraw/zinc/09/56/83/171095683.db2.gz ZYUFYZMQILFEAT-VIFPVBQESA-N 0 0 138.210 1.868 10 0 ADAERN CC(C)(C)C(=O)CN(CCO)C1CC1 50158228 171095688 /nfs/dbraw/zinc/09/56/88/171095688.db2.gz ATGCKVQQOGCPTG-UHFFFAOYSA-N 0 0 199.294 1.058 10 0 ADAERN CCSCC(=O)CC 50181992 171095742 /nfs/dbraw/zinc/09/57/42/171095742.db2.gz IZSJOWPQFKYDJR-UHFFFAOYSA-N 0 0 132.228 1.719 10 0 ADAERN O[C@@H](C1=CCCCC1)[C@H]1CCOC1 50328774 171095758 /nfs/dbraw/zinc/09/57/58/171095758.db2.gz DBGCMTRDVULZOK-QWRGUYRKSA-N 0 0 182.263 1.884 10 0 ADAERN CC(C)(C)C(=O)CN1CCOC1=O 50129570 171095760 /nfs/dbraw/zinc/09/57/60/171095760.db2.gz WALXWMITUZTNMP-UHFFFAOYSA-N 0 0 185.223 1.054 10 0 ADAERN CC(C)(C)SCCC(N)=O 50279548 171095783 /nfs/dbraw/zinc/09/57/83/171095783.db2.gz VQUMZGICNVNDGS-UHFFFAOYSA-N 0 0 161.270 1.394 10 0 ADAERN CCCc1ncc2c(n1)CCCC2=O 50093822 171095787 /nfs/dbraw/zinc/09/57/87/171095787.db2.gz CIMBJCZRXIVHJH-UHFFFAOYSA-N 0 0 190.246 1.948 10 0 ADAERN C[NH+](C)[C@@H](C(=O)[O-])C1CCCC1 50272941 171095841 /nfs/dbraw/zinc/09/58/41/171095841.db2.gz YBJZAZNTNYNPSC-MRVPVSSYSA-N 0 0 171.240 1.191 10 0 ADAERN CC(=O)CCCCN1CCCC1=O 50127539 171095847 /nfs/dbraw/zinc/09/58/47/171095847.db2.gz VOOMBSXYXXORPB-UHFFFAOYSA-N 0 0 183.251 1.368 10 0 ADAERN CC(C)(C)C(=O)CN1CCCC1=O 50127642 171095898 /nfs/dbraw/zinc/09/58/98/171095898.db2.gz OXGKDGGSDUZSGS-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CC(=O)CCCCN1CCCCC1=O 50129679 171095904 /nfs/dbraw/zinc/09/59/04/171095904.db2.gz GWPLXBOUYXDIKX-UHFFFAOYSA-N 0 0 197.278 1.758 10 0 ADAERN O[C@@H](C1=CCCC1)[C@@H]1CCOC1 50329081 171095951 /nfs/dbraw/zinc/09/59/51/171095951.db2.gz QIUWNBJSYCGIOQ-ZJUUUORDSA-N 0 0 168.236 1.494 10 0 ADAERN O[C@@H](C1=CCCC1)[C@H]1CCOC1 50329083 171095959 /nfs/dbraw/zinc/09/59/59/171095959.db2.gz QIUWNBJSYCGIOQ-UWVGGRQHSA-N 0 0 168.236 1.494 10 0 ADAERN O[C@@H](C1=CCCCC1)[C@@H]1CCOC1 50328772 171096202 /nfs/dbraw/zinc/09/62/02/171096202.db2.gz DBGCMTRDVULZOK-MNOVXSKESA-N 0 0 182.263 1.884 10 0 ADAERN CC(C)C(=O)Cc1cnn(C)c1 50541835 171096509 /nfs/dbraw/zinc/09/65/09/171096509.db2.gz MECSYDNXPXPAAI-UHFFFAOYSA-N 0 0 166.224 1.188 10 0 ADAERN CCCc1nnc(CNC2CC2)o1 50616221 171096523 /nfs/dbraw/zinc/09/65/23/171096523.db2.gz SRBGMWCAPYRHPX-UHFFFAOYSA-N 0 0 181.239 1.274 10 0 ADAERN NC(=S)Cn1ncc2ccccc21 50525952 171096530 /nfs/dbraw/zinc/09/65/30/171096530.db2.gz FBFVLTGSALGQHJ-UHFFFAOYSA-N 0 0 191.259 1.322 10 0 ADAERN CC[NH+](CC)[C@@H](C)CCC(=O)[O-] 50956310 171096549 /nfs/dbraw/zinc/09/65/49/171096549.db2.gz NDUNYWODYWRJAV-QMMMGPOBSA-N 0 0 173.256 1.582 10 0 ADAERN CNc1ccc(Cn2ccnc2)cn1 50818576 171096565 /nfs/dbraw/zinc/09/65/65/171096565.db2.gz JVBQRDUTKJRKNI-UHFFFAOYSA-N 0 0 188.234 1.368 10 0 ADAERN CCCc1nccc(NCC)n1 50863810 171096638 /nfs/dbraw/zinc/09/66/38/171096638.db2.gz CKBJRDSHEAAMOW-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN CNc1ccc(C(C)C)nn1 50867956 171096674 /nfs/dbraw/zinc/09/66/74/171096674.db2.gz BWFCFTSIWXQRDN-UHFFFAOYSA-N 0 0 151.213 1.642 10 0 ADAERN CCCc1nccc(NC)n1 50852685 171096681 /nfs/dbraw/zinc/09/66/81/171096681.db2.gz BFLRHVQNXDSXAU-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN CNc1ccc(COC)cn1 50830457 171096701 /nfs/dbraw/zinc/09/67/01/171096701.db2.gz TUJLVJRTHININY-UHFFFAOYSA-N 0 0 152.197 1.270 10 0 ADAERN CNc1ccc(C(C)(C)C)nn1 50867890 171096704 /nfs/dbraw/zinc/09/67/04/171096704.db2.gz IYGUNYBNOKQBQT-UHFFFAOYSA-N 0 0 165.240 1.816 10 0 ADAERN CNc1ccc(Cn2cccn2)cn1 50818506 171096774 /nfs/dbraw/zinc/09/67/74/171096774.db2.gz KDNKVYRECKTPSN-UHFFFAOYSA-N 0 0 188.234 1.368 10 0 ADAERN O=C(OC1CCC1)[C@@H]1CCCCN1 50929044 171096795 /nfs/dbraw/zinc/09/67/95/171096795.db2.gz BUMOLDKXCRDWNH-VIFPVBQESA-N 0 0 183.251 1.224 10 0 ADAERN O=C(OC1CCC1)[C@H]1CCCCN1 50929046 171097006 /nfs/dbraw/zinc/09/70/06/171097006.db2.gz BUMOLDKXCRDWNH-SECBINFHSA-N 0 0 183.251 1.224 10 0 ADAERN CNc1ccc(CSC)cn1 50839177 171097103 /nfs/dbraw/zinc/09/71/03/171097103.db2.gz AXPPEOIQSUMNKD-UHFFFAOYSA-N 0 0 168.265 1.986 10 0 ADAERN O=[N+]([O-])/C=C/C1CCOCC1 52176216 171097435 /nfs/dbraw/zinc/09/74/35/171097435.db2.gz SFFWHTOVZPTFER-DAFODLJHSA-N 0 0 157.169 1.203 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1CCCC[C@@H]1O 51989240 171097488 /nfs/dbraw/zinc/09/74/88/171097488.db2.gz BFCSVYAEFJMGBA-ZJUUUORDSA-N 0 0 197.278 1.372 10 0 ADAERN CCOC(=N)C1CCOCC1 52176027 171097581 /nfs/dbraw/zinc/09/75/81/171097581.db2.gz BWDPTIYUGYJUAU-UHFFFAOYSA-N 0 0 157.213 1.427 10 0 ADAERN NC(=S)CC1CCOCC1 52172725 171097619 /nfs/dbraw/zinc/09/76/19/171097619.db2.gz BSEZMIUEVGPNNW-UHFFFAOYSA-N 0 0 159.254 1.089 10 0 ADAERN Nc1ccc(F)cc1NCCCO 52119955 171097726 /nfs/dbraw/zinc/09/77/26/171097726.db2.gz FSFIDRNUZBDWDO-UHFFFAOYSA-N 0 0 184.214 1.202 10 0 ADAERN COC(=N)C1CCOCC1 52176022 171097771 /nfs/dbraw/zinc/09/77/71/171097771.db2.gz MKIJGQSXJXJHNV-UHFFFAOYSA-N 0 0 143.186 1.037 10 0 ADAERN O=C([O-])C1([NH2+]C2CCCC2)CCC1 52140491 171097779 /nfs/dbraw/zinc/09/77/79/171097779.db2.gz DYTLCWQWUSPISM-UHFFFAOYSA-N 0 0 183.251 1.526 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CCCC[C@H]1O 51989245 171097786 /nfs/dbraw/zinc/09/77/86/171097786.db2.gz BFCSVYAEFJMGBA-VHSXEESVSA-N 0 0 197.278 1.372 10 0 ADAERN O=C([O-])C1([NH+]2CCCCC2)CCC1 52140564 171097891 /nfs/dbraw/zinc/09/78/91/171097891.db2.gz FAQROFDLBVOTSL-UHFFFAOYSA-N 0 0 183.251 1.480 10 0 ADAERN CC(=O)CCC1CCOCC1 52173676 171097937 /nfs/dbraw/zinc/09/79/37/171097937.db2.gz QTFXVXLLLFEZLT-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN NC(=O)c1cccnc1NC1CCC1 52211619 171098060 /nfs/dbraw/zinc/09/80/60/171098060.db2.gz UGEDBPRYXCHMGI-UHFFFAOYSA-N 0 0 191.234 1.145 10 0 ADAERN Nc1ccc(F)cc1-n1ccnc1 52122193 171098080 /nfs/dbraw/zinc/09/80/80/171098080.db2.gz IWPMNAZEICVIGH-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN O=C([O-])C1([NH+]2CCCCCC2)CCC1 52140567 171098103 /nfs/dbraw/zinc/09/81/03/171098103.db2.gz CRQNYPBXVMTNAM-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN Nc1ccc(F)cc1-n1cccn1 52122195 171098155 /nfs/dbraw/zinc/09/81/55/171098155.db2.gz JWFMVLBZNOSXQZ-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN CNc1ccc(C)cc1C(N)=O 53000694 171098301 /nfs/dbraw/zinc/09/83/01/171098301.db2.gz BABJSGWFSMONDM-UHFFFAOYSA-N 0 0 164.208 1.136 10 0 ADAERN Nc1ccc(F)c(F)c1-n1ccnc1 53167872 171098315 /nfs/dbraw/zinc/09/83/15/171098315.db2.gz VAIXPDCIWPZZID-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Cc1ccccc1Cc1noc(N)n1 52708839 171098388 /nfs/dbraw/zinc/09/83/88/171098388.db2.gz MENSOIGYMWGGNU-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN CNc1ccc(C)cc1C(=O)N(C)C 53000056 171098445 /nfs/dbraw/zinc/09/84/45/171098445.db2.gz LCLLDDCSVPFAGB-UHFFFAOYSA-N 0 0 192.262 1.739 10 0 ADAERN O=c1ssc2c1CCC2 53314439 171098604 /nfs/dbraw/zinc/09/86/04/171098604.db2.gz IRLSMNHMWKTPGT-UHFFFAOYSA-N 0 0 158.247 1.659 10 0 ADAERN Nc1c(C2CCCCC2)ncn1N 52838015 171098706 /nfs/dbraw/zinc/09/87/06/171098706.db2.gz OWDFVXSJXSODQK-UHFFFAOYSA-N 0 0 180.255 1.227 10 0 ADAERN Nc1ccc(F)c(F)c1-n1cccn1 53167880 171098780 /nfs/dbraw/zinc/09/87/80/171098780.db2.gz NLAGJZNNLDYNDW-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Nc1ccc(F)c(F)c1-n1cncn1 53167876 171098829 /nfs/dbraw/zinc/09/88/29/171098829.db2.gz JGXPHZQPXBSEEX-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN C[S@@](=O)CCc1ccccc1N 52919353 171098915 /nfs/dbraw/zinc/09/89/15/171098915.db2.gz WKMYRHYYGZOGFG-LBPRGKRZSA-N 0 0 183.276 1.190 10 0 ADAERN CCNc1ccc(C)cc1C(N)=O 53000696 171098943 /nfs/dbraw/zinc/09/89/43/171098943.db2.gz SXUSJZRFLLQMBB-UHFFFAOYSA-N 0 0 178.235 1.526 10 0 ADAERN CNc1ccc(C2CC2)nn1 54931024 171099080 /nfs/dbraw/zinc/09/90/80/171099080.db2.gz FBHDGDCWXPDAAY-UHFFFAOYSA-N 0 0 149.197 1.396 10 0 ADAERN Cc1ccnc(-n2nc(N)cc2C)c1 54404755 171099083 /nfs/dbraw/zinc/09/90/83/171099083.db2.gz CEYMALMGXFJUTN-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CN(C)c1nc2c(s1)[C@@H]([NH3+])CCC2 54864444 171099112 /nfs/dbraw/zinc/09/91/12/171099112.db2.gz RLFPZDOYZZPBTO-LURJTMIESA-N 0 0 197.307 1.545 10 0 ADAERN Cc1ccnc(-n2cc(C)c(N)n2)c1 54404880 171099119 /nfs/dbraw/zinc/09/91/19/171099119.db2.gz BCCKUSPNFFOLIL-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN c1cncc(NCc2ccncn2)c1 54788535 171099134 /nfs/dbraw/zinc/09/91/34/171099134.db2.gz QLAFZWZLTXOWPP-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN c1cncc(NCc2cnccn2)c1 54765386 171099216 /nfs/dbraw/zinc/09/92/16/171099216.db2.gz XKKOVCCYBAXIGR-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN CCCc1ncc([C@H](C)[NH3+])c(C)n1 54962525 171099236 /nfs/dbraw/zinc/09/92/36/171099236.db2.gz KFKHJSPNENHFES-ZETCQYMHSA-N 0 0 179.267 1.757 10 0 ADAERN CCCc1ncc([C@@H](C)[NH3+])c(C)n1 54962524 171099326 /nfs/dbraw/zinc/09/93/26/171099326.db2.gz KFKHJSPNENHFES-SSDOTTSWSA-N 0 0 179.267 1.757 10 0 ADAERN CCNc1ccc(C2CC2)nn1 54931113 171099409 /nfs/dbraw/zinc/09/94/09/171099409.db2.gz DQNFNEMKYRGTPJ-UHFFFAOYSA-N 0 0 163.224 1.786 10 0 ADAERN Oc1ccc(NCc2c[nH]cn2)cc1 54764892 171099447 /nfs/dbraw/zinc/09/94/47/171099447.db2.gz RFUIYGPPABRKOI-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN Oc1cccc(NCc2c[nH]cn2)c1 54763816 171099578 /nfs/dbraw/zinc/09/95/78/171099578.db2.gz LCRQMRNZUFJIBT-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN Nc1ccc(Cl)cc1-n1cnnc1 54405054 171099590 /nfs/dbraw/zinc/09/95/90/171099590.db2.gz WONZTLBNHKISBP-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CN(C)c1nc2c(s1)[C@H]([NH3+])CCC2 54864442 171099670 /nfs/dbraw/zinc/09/96/70/171099670.db2.gz RLFPZDOYZZPBTO-ZCFIWIBFSA-N 0 0 197.307 1.545 10 0 ADAERN CCCc1nnc(N)cc1CC 54930952 171099688 /nfs/dbraw/zinc/09/96/88/171099688.db2.gz HBBYKXNZTCPNOD-UHFFFAOYSA-N 0 0 165.240 1.574 10 0 ADAERN COc1ccccc1NC(=O)C(C)=O 57488737 171099818 /nfs/dbraw/zinc/09/98/18/171099818.db2.gz LWWNDEPHGGEHRB-UHFFFAOYSA-N 0 0 193.202 1.223 10 0 ADAERN CC(=O)C(=O)Nc1ccccc1Cl 57490292 171099870 /nfs/dbraw/zinc/09/98/70/171099870.db2.gz LMKXEGDJAVHBAJ-UHFFFAOYSA-N 0 0 197.621 1.868 10 0 ADAERN O[C@@H](CNc1ccccc1)C1CC1 55032282 171099929 /nfs/dbraw/zinc/09/99/29/171099929.db2.gz SNDQHYUQPSSIDD-NSHDSACASA-N 0 0 177.247 1.869 10 0 ADAERN CC(=O)C(=O)Nc1cccc(Cl)c1 57490293 171100094 /nfs/dbraw/zinc/10/00/94/171100094.db2.gz JBNPNOYLYIMZSV-UHFFFAOYSA-N 0 0 197.621 1.868 10 0 ADAERN Cc1ccccc1C[C@@](C)([NH3+])C(=O)[O-] 41206198 171100119 /nfs/dbraw/zinc/10/01/19/171100119.db2.gz HJTJPYAYGJHSIF-LLVKDONJSA-N 0 0 193.246 1.340 10 0 ADAERN COc1ccccc1C1(C)OCCO1 57489252 171100483 /nfs/dbraw/zinc/10/04/83/171100483.db2.gz HOJWTZGFPLFBGC-UHFFFAOYSA-N 0 0 194.230 1.915 10 0 ADAERN c1c2c(cc3c1OCO3)NCCN2 57923265 171100549 /nfs/dbraw/zinc/10/05/49/171100549.db2.gz MGAURNOCSKWYIF-UHFFFAOYSA-N 0 0 178.191 1.253 10 0 ADAERN Cc1ccccc1C[C@](C)([NH3+])C(=O)[O-] 41206197 171100556 /nfs/dbraw/zinc/10/05/56/171100556.db2.gz HJTJPYAYGJHSIF-NSHDSACASA-N 0 0 193.246 1.340 10 0 ADAERN Cc1ccccc1[C@@H]([NH3+])[C@@H](C)C(=O)[O-] 57937316 171100623 /nfs/dbraw/zinc/10/06/23/171100623.db2.gz YUEVUICPJUMJKD-SCZZXKLOSA-N 0 0 193.246 1.716 10 0 ADAERN C[C@@H]1CNC(=O)c2cc(F)ccc21 58519259 171100668 /nfs/dbraw/zinc/10/06/68/171100668.db2.gz WCCIUIKBUPGNSO-ZCFIWIBFSA-N 0 0 179.194 1.673 10 0 ADAERN NC(=S)Cn1ccc2ccccc21 58014628 171100758 /nfs/dbraw/zinc/10/07/58/171100758.db2.gz JUTZGHQNNVAEHQ-UHFFFAOYSA-N 0 0 190.271 1.927 10 0 ADAERN CC(=O)C(=O)Nc1cccc(C)c1 58519053 171100797 /nfs/dbraw/zinc/10/07/97/171100797.db2.gz UHUNFKRIXFFWLK-UHFFFAOYSA-N 0 0 177.203 1.523 10 0 ADAERN Cc1ccccc1[C@H]([NH3+])[C@@H](C)C(=O)[O-] 57937315 171100802 /nfs/dbraw/zinc/10/08/02/171100802.db2.gz YUEVUICPJUMJKD-PSASIEDQSA-N 0 0 193.246 1.716 10 0 ADAERN Cc1ccccc1[C@@H]([NH3+])[C@H](C)C(=O)[O-] 57937320 171100805 /nfs/dbraw/zinc/10/08/05/171100805.db2.gz YUEVUICPJUMJKD-WPRPVWTQSA-N 0 0 193.246 1.716 10 0 ADAERN Cc1ccccc1[C@H]([NH3+])[C@H](C)C(=O)[O-] 57937318 171100821 /nfs/dbraw/zinc/10/08/21/171100821.db2.gz YUEVUICPJUMJKD-WCBMZHEXSA-N 0 0 193.246 1.716 10 0 ADAERN COc1ccccc1[C@@H]1CCC(=O)N1 57936954 171100979 /nfs/dbraw/zinc/10/09/79/171100979.db2.gz HLRGBLFOPGRQEV-VIFPVBQESA-N 0 0 191.230 1.646 10 0 ADAERN CC(=O)C(=O)Nc1cc(C)cc(C)c1 58521428 171101327 /nfs/dbraw/zinc/10/13/27/171101327.db2.gz HKZZCPSRXXIQOX-UHFFFAOYSA-N 0 0 191.230 1.831 10 0 ADAERN O=c1[nH]ccc(Cl)c1O 59232883 171101330 /nfs/dbraw/zinc/10/13/30/171101330.db2.gz UCJLJSZCMMWOGH-UHFFFAOYSA-N 0 0 145.545 1.146 10 0 ADAERN COc1ccccc1[C@@H]1CCNC1=O 58521450 171101380 /nfs/dbraw/zinc/10/13/80/171101380.db2.gz PBJOVCLZDWRGDV-VIFPVBQESA-N 0 0 191.230 1.299 10 0 ADAERN Oc1cccc(Cn2ccnc2)c1 59520727 171101500 /nfs/dbraw/zinc/10/15/00/171101500.db2.gz WHEPCGLYYBIIDP-UHFFFAOYSA-N 0 0 174.203 1.637 10 0 ADAERN CC(=O)C(=O)N1CCc2ccccc21 58520825 171101511 /nfs/dbraw/zinc/10/15/11/171101511.db2.gz CBWWRPNHOBPDCQ-UHFFFAOYSA-N 0 0 189.214 1.165 10 0 ADAERN Cc1ccccc1[C@H]1CCCNC1=O 58520918 171101525 /nfs/dbraw/zinc/10/15/25/171101525.db2.gz IKQDYKSIQMGIII-LLVKDONJSA-N 0 0 189.258 1.989 10 0 ADAERN CC(=O)C(=O)Nc1ccc(C)cc1C 58521423 171101537 /nfs/dbraw/zinc/10/15/37/171101537.db2.gz IJBJHJYMXNVLPA-UHFFFAOYSA-N 0 0 191.230 1.831 10 0 ADAERN CC(=O)C(=O)Nc1cc(C)ccc1C 58521424 171101539 /nfs/dbraw/zinc/10/15/39/171101539.db2.gz GCCLWDPIKZMDDI-UHFFFAOYSA-N 0 0 191.230 1.831 10 0 ADAERN CC(=O)C(=O)Nc1cccc(C)c1C 58521432 171101556 /nfs/dbraw/zinc/10/15/56/171101556.db2.gz OAVHTBMIPKZVEX-UHFFFAOYSA-N 0 0 191.230 1.831 10 0 ADAERN Cc1ccccc1[C@@H]1CCCNC1=O 58520916 171101561 /nfs/dbraw/zinc/10/15/61/171101561.db2.gz IKQDYKSIQMGIII-NSHDSACASA-N 0 0 189.258 1.989 10 0 ADAERN CC(=O)C(=O)Nc1cccc(F)c1 58519760 171101663 /nfs/dbraw/zinc/10/16/63/171101663.db2.gz LYXNBYZTOABJLI-UHFFFAOYSA-N 0 0 181.166 1.353 10 0 ADAERN CC(=O)C(=O)NC1CCCCCC1 58520233 171101690 /nfs/dbraw/zinc/10/16/90/171101690.db2.gz HFAUPNMHJNFJHK-UHFFFAOYSA-N 0 0 183.251 1.414 10 0 ADAERN CC(=O)C(=O)Nc1ccc(F)cc1 58519757 171101700 /nfs/dbraw/zinc/10/17/00/171101700.db2.gz ZSNIPBVBFHHCNQ-UHFFFAOYSA-N 0 0 181.166 1.353 10 0 ADAERN CNc1ccc(C=O)cc1C 59541533 171101716 /nfs/dbraw/zinc/10/17/16/171101716.db2.gz UECXDZSFDGWNTH-UHFFFAOYSA-N 0 0 149.193 1.849 10 0 ADAERN CC(=O)C(=O)Nc1ccccc1F 58519754 171101736 /nfs/dbraw/zinc/10/17/36/171101736.db2.gz XFXKLBGEDSZEOP-UHFFFAOYSA-N 0 0 181.166 1.353 10 0 ADAERN COc1ccccc1C(C)(C)CO 58519601 171101773 /nfs/dbraw/zinc/10/17/73/171101773.db2.gz KIHVRUDWJLGVRU-UHFFFAOYSA-N 0 0 180.247 1.965 10 0 ADAERN Nc1c(C=O)sc2nccnc12 59152682 171101809 /nfs/dbraw/zinc/10/18/09/171101809.db2.gz DODAPIKZERXETF-UHFFFAOYSA-N 0 0 179.204 1.086 10 0 ADAERN COc1ccc2n[nH]cc2c1C=O 59691071 171101824 /nfs/dbraw/zinc/10/18/24/171101824.db2.gz KXBMOMPOFKJPGC-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN CC(=O)C(=O)NCc1ccc(C)cc1 58521418 171101839 /nfs/dbraw/zinc/10/18/39/171101839.db2.gz JIQDMSKYNPQIPT-UHFFFAOYSA-N 0 0 191.230 1.200 10 0 ADAERN CNc1ccc(O)c(N)c1 59495595 171101856 /nfs/dbraw/zinc/10/18/56/171101856.db2.gz OSWAUKJYXZYZBZ-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN CC(=O)C(=O)Nc1ccc(C)c(C)c1 58521426 171101893 /nfs/dbraw/zinc/10/18/93/171101893.db2.gz WHXBLVXBLDXSJO-UHFFFAOYSA-N 0 0 191.230 1.831 10 0 ADAERN CC(=O)C(=O)N(C)Cc1ccccc1 58521421 171101899 /nfs/dbraw/zinc/10/18/99/171101899.db2.gz CRAHYIGDCDUQKR-UHFFFAOYSA-N 0 0 191.230 1.234 10 0 ADAERN NC(=O)c1oc2cccc(F)c2c1N 59788424 171102039 /nfs/dbraw/zinc/10/20/39/171102039.db2.gz ATXDJAGKAAACHR-UHFFFAOYSA-N 0 0 194.165 1.253 10 0 ADAERN O=[N+]([O-])Nc1ccccc1Cl 60000845 171102112 /nfs/dbraw/zinc/10/21/12/171102112.db2.gz DEMFFWAHNABLQR-UHFFFAOYSA-N 0 0 172.571 1.944 10 0 ADAERN NC(=O)c1oc2ccc(F)cc2c1N 59788317 171102116 /nfs/dbraw/zinc/10/21/16/171102116.db2.gz WSKORCYNBVWNDO-UHFFFAOYSA-N 0 0 194.165 1.253 10 0 ADAERN CC(=O)CCCCCO 60166804 171102263 /nfs/dbraw/zinc/10/22/63/171102263.db2.gz GHBTZUIMOPVXAV-UHFFFAOYSA-N 0 0 130.187 1.128 10 0 ADAERN Fc1cc(F)c2n[nH]cc2c1 59914032 171102270 /nfs/dbraw/zinc/10/22/70/171102270.db2.gz XHXXSPZUKNLLRN-UHFFFAOYSA-N 0 0 154.119 1.841 10 0 ADAERN O=c1ncc(-c2cccc(F)c2)c[nH]1 59993436 171102272 /nfs/dbraw/zinc/10/22/72/171102272.db2.gz OMURGRVLPCSKNT-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN CCCc1ncc(CO)s1 62201164 171102500 /nfs/dbraw/zinc/10/25/00/171102500.db2.gz XNJMDXNZSIEYRE-UHFFFAOYSA-N 0 0 157.238 1.588 10 0 ADAERN COC(=O)c1c(C)oc(C)c1N 62350506 171102750 /nfs/dbraw/zinc/10/27/50/171102750.db2.gz IRCYWFFGMUYUCG-UHFFFAOYSA-N 0 0 169.180 1.265 10 0 ADAERN Nc1n[nH]cc1SC1CCOCC1 62053863 171103063 /nfs/dbraw/zinc/10/30/63/171103063.db2.gz KNSJCWXIZAJPHQ-UHFFFAOYSA-N 0 0 199.279 1.263 10 0 ADAERN c1c(NC2CC2)n[nH]c1C1CC1 62668762 171103192 /nfs/dbraw/zinc/10/31/92/171103192.db2.gz AEZFTUPVTUZXDS-UHFFFAOYSA-N 0 0 163.224 1.861 10 0 ADAERN COc1ccccc1[C@@H](O)[C@@H](C)O 62719177 171103519 /nfs/dbraw/zinc/10/35/19/171103519.db2.gz GXFIUMAKMVGWTF-XCBNKYQSSA-N 0 0 182.219 1.109 10 0 ADAERN O=C(OCC1CC1)[C@H]1CCCCN1 40396765 171103542 /nfs/dbraw/zinc/10/35/42/171103542.db2.gz KQYTWCJXFHOYJO-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN NC(=S)c1ccc(F)s1 62701940 171103555 /nfs/dbraw/zinc/10/35/55/171103555.db2.gz CSTGSTHUGFUPFY-UHFFFAOYSA-N 0 0 161.226 1.521 10 0 ADAERN CNc1ccc(Cn2cccn2)cc1 62796558 171103648 /nfs/dbraw/zinc/10/36/48/171103648.db2.gz OOYGUYIMNIFWPZ-UHFFFAOYSA-N 0 0 187.246 1.973 10 0 ADAERN CNc1ccc(NC(N)=O)cc1 62796861 171103680 /nfs/dbraw/zinc/10/36/80/171103680.db2.gz IQXUSRDYUQWMOG-UHFFFAOYSA-N 0 0 165.196 1.219 10 0 ADAERN NC(=S)c1ccc2ncccc2c1 62801456 171103684 /nfs/dbraw/zinc/10/36/84/171103684.db2.gz FTVGAVNRCNBNLU-UHFFFAOYSA-N 0 0 188.255 1.869 10 0 ADAERN CNc1ccc(N2CCNC2=O)cc1 62796841 171103694 /nfs/dbraw/zinc/10/36/94/171103694.db2.gz AWTGTHXVRUDOOT-UHFFFAOYSA-N 0 0 191.234 1.258 10 0 ADAERN CNc1ccc(NC(=O)OC)cc1 62796886 171103768 /nfs/dbraw/zinc/10/37/68/171103768.db2.gz PUDCLISNRDLDIZ-UHFFFAOYSA-N 0 0 180.207 1.907 10 0 ADAERN CNc1ccc(NC(C)=O)c(C)c1 62796721 171103870 /nfs/dbraw/zinc/10/38/70/171103870.db2.gz QWNYACCYZGXECJ-UHFFFAOYSA-N 0 0 178.235 1.995 10 0 ADAERN CNc1ccc(NC(C)=O)c(OC)c1 62796722 171103884 /nfs/dbraw/zinc/10/38/84/171103884.db2.gz ZYXYLJOECMPFKE-UHFFFAOYSA-N 0 0 194.234 1.695 10 0 ADAERN NC(=S)c1ccc(N)c(Cl)c1 62795182 171103888 /nfs/dbraw/zinc/10/38/88/171103888.db2.gz HSHNROJFUZOIQN-UHFFFAOYSA-N 0 0 186.667 1.556 10 0 ADAERN CNc1ccc(N2CCCC2)nc1 62796772 171103908 /nfs/dbraw/zinc/10/39/08/171103908.db2.gz QRDLOFNXIUCUTP-UHFFFAOYSA-N 0 0 177.251 1.724 10 0 ADAERN c1cncc(Cc2ccncn2)c1 64033910 171104034 /nfs/dbraw/zinc/10/40/34/171104034.db2.gz MQOOKYMQHVUHTH-UHFFFAOYSA-N 0 0 171.203 1.462 10 0 ADAERN O=c1cc(-c2cccc(O)c2)cc[nH]1 65337635 171104082 /nfs/dbraw/zinc/10/40/82/171104082.db2.gz KWUQMVYZCKACKX-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=Cc1ccccc1-c1ccc(=O)[nH]c1 65337679 171104169 /nfs/dbraw/zinc/10/41/69/171104169.db2.gz ZEYYUHOMSXVVPO-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O=c1cc(-c2ccccc2O)cc[nH]1 65337629 171104172 /nfs/dbraw/zinc/10/41/72/171104172.db2.gz HJMUAJLRURGZGJ-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN c1c[nH]c(N2CCCC2)n1 64033556 171104178 /nfs/dbraw/zinc/10/41/78/171104178.db2.gz CPTAEJISPBQEKA-UHFFFAOYSA-N 0 0 137.186 1.010 10 0 ADAERN O=Cc1ccccc1-c1cccc(=O)[nH]1 65337680 171104189 /nfs/dbraw/zinc/10/41/89/171104189.db2.gz SQKYFERLIAEJFT-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O=Cc1ccccc1-c1ccc[nH]c1=O 65337674 171104359 /nfs/dbraw/zinc/10/43/59/171104359.db2.gz HBPIRIZHLGIGTF-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O=Cc1ccccc1-c1cc(=O)cc[nH]1 65355623 171104370 /nfs/dbraw/zinc/10/43/70/171104370.db2.gz SQRXOWYTRAFQAY-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O=c1ncc(-c2ccco2)c[nH]1 65344484 171104438 /nfs/dbraw/zinc/10/44/38/171104438.db2.gz BITXOXRVTVTBNZ-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=c1cc(-c2ccc(O)cc2)cc[nH]1 65337641 171104547 /nfs/dbraw/zinc/10/45/47/171104547.db2.gz HKJXOJTZIRNAOW-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=Cc1ccccc1-c1cc[nH]c(=O)c1 65337677 171104614 /nfs/dbraw/zinc/10/46/14/171104614.db2.gz MCSJYQZOWJNORE-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN NC(=S)c1cccc2c1NCCC2 141646845 171104887 /nfs/dbraw/zinc/10/48/87/171104887.db2.gz YXHXNUQDELNVHY-UHFFFAOYSA-N 0 0 192.287 1.679 10 0 ADAERN CN1CCc2c(C=O)cccc2C1 66351433 171104892 /nfs/dbraw/zinc/10/48/92/171104892.db2.gz DKEILBFISPCUJZ-UHFFFAOYSA-N 0 0 175.231 1.487 10 0 ADAERN O=C1N=NC(Cc2ccc(F)cc2)O1 70030578 171105505 /nfs/dbraw/zinc/10/55/05/171105505.db2.gz DFXZSKUETHKVFL-UHFFFAOYSA-N 0 0 194.165 1.505 10 0 ADAERN OC/C=C\c1ccccc1F 91364373 171105543 /nfs/dbraw/zinc/10/55/43/171105543.db2.gz ZQROESOVOUHBGC-HYXAFXHYSA-N 0 0 152.168 1.831 10 0 ADAERN CC(=O)c1cc(C)cnc1N 69942907 171105639 /nfs/dbraw/zinc/10/56/39/171105639.db2.gz SQOLJLLTECHJGF-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN NC(=O)c1ccc(-c2ccncc2)nc1 90585529 171105681 /nfs/dbraw/zinc/10/56/81/171105681.db2.gz UAQSDICVORVFPV-UHFFFAOYSA-N 0 0 199.213 1.243 10 0 ADAERN CC(=O)Nc1cccc2n[nH]cc12 70227170 171105987 /nfs/dbraw/zinc/10/59/87/171105987.db2.gz SNCJCOINUYPZOV-UHFFFAOYSA-N 0 0 175.191 1.521 10 0 ADAERN O=Cc1ccccc1-c1cnccn1 69048771 171106023 /nfs/dbraw/zinc/10/60/23/171106023.db2.gz GXUCYDMIWVZAPL-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN NC(=S)CCc1ccsc1 69790602 171106050 /nfs/dbraw/zinc/10/60/50/171106050.db2.gz SXFILKYJWSTUDZ-UHFFFAOYSA-N 0 0 171.290 1.967 10 0 ADAERN c1cncc(N[C@@H]2CCOC2)c1 70962422 171106431 /nfs/dbraw/zinc/10/64/31/171106431.db2.gz YAHKQYZHKCQMHZ-SECBINFHSA-N 0 0 164.208 1.282 10 0 ADAERN O=c1c(=O)c2cc3ccccc3cc12 70632275 171106486 /nfs/dbraw/zinc/10/64/86/171106486.db2.gz HNXXOMDHBKFZFW-UHFFFAOYSA-N 0 0 182.178 1.589 10 0 ADAERN c1c[nH]c(CNc2nccs2)n1 70646530 171106496 /nfs/dbraw/zinc/10/64/96/171106496.db2.gz YGRFLOHBPRIFSG-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN O[C@@H](CC(F)(F)F)C1CC1 70735882 171106864 /nfs/dbraw/zinc/10/68/64/171106864.db2.gz MCDRQLJYLHPXBU-YFKPBYRVSA-N 0 0 154.131 1.710 10 0 ADAERN c1cncc(N[C@H]2CCOC2)c1 70962463 171106894 /nfs/dbraw/zinc/10/68/94/171106894.db2.gz YAHKQYZHKCQMHZ-VIFPVBQESA-N 0 0 164.208 1.282 10 0 ADAERN Cc1ccccc1CN(C)N 71495389 171107043 /nfs/dbraw/zinc/10/70/43/171107043.db2.gz TYYKISXDFJPZES-UHFFFAOYSA-N 0 0 150.225 1.301 10 0 ADAERN COc1ccc2[nH]cc(C)c(=O)c2c1 71489945 171107083 /nfs/dbraw/zinc/10/70/83/171107083.db2.gz HOVYQUNKBQAYJL-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN CN(C)C(=O)/C=C/c1ccccn1 71261658 171107091 /nfs/dbraw/zinc/10/70/91/171107091.db2.gz QUXHIIYCAMNTFJ-VOTSOKGWSA-N 0 0 176.219 1.183 10 0 ADAERN COC(=N)CCc1ccco1 71495479 171107177 /nfs/dbraw/zinc/10/71/77/171107177.db2.gz BULKOGKRKNCRPA-UHFFFAOYSA-N 0 0 153.181 1.836 10 0 ADAERN CN1CCOC[C@@H]1c1cccc(N)c1 71491545 171107276 /nfs/dbraw/zinc/10/72/76/171107276.db2.gz SIPQCIRRNPYTSA-LLVKDONJSA-N 0 0 192.262 1.272 10 0 ADAERN COc1ccc(O)c(C(=O)C2CC2)c1 71455056 171107320 /nfs/dbraw/zinc/10/73/20/171107320.db2.gz SQQZTSMKPNADLS-UHFFFAOYSA-N 0 0 192.214 1.994 10 0 ADAERN BrC1=NC=N[C@H]2N=CC=C12 71257049 171107344 /nfs/dbraw/zinc/10/73/44/171107344.db2.gz DLEXYPRTFRKHMM-ZCFIWIBFSA-N 0 0 198.023 1.159 10 0 ADAERN COc1ccc2nc(C)[nH]c2n1 71257674 171107362 /nfs/dbraw/zinc/10/73/62/171107362.db2.gz DYZLJVUHLQINGC-UHFFFAOYSA-N 0 0 163.180 1.275 10 0 ADAERN COc1ccc2c(=O)c(C)c[nH]c2c1 71489939 171107394 /nfs/dbraw/zinc/10/73/94/171107394.db2.gz ZRHMUIWPDULEBX-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN BrC1=NC=N[C@@H]2N=CC=C12 71257048 171107462 /nfs/dbraw/zinc/10/74/62/171107462.db2.gz DLEXYPRTFRKHMM-LURJTMIESA-N 0 0 198.023 1.159 10 0 ADAERN NC(=O)c1ccc2c(c1)NCCC2 71451757 171107480 /nfs/dbraw/zinc/10/74/80/171107480.db2.gz WWUYMUAOEDVLGW-UHFFFAOYSA-N 0 0 176.219 1.144 10 0 ADAERN CN1CCOC[C@@H]1c1ccc(N)cc1 71491541 171107507 /nfs/dbraw/zinc/10/75/07/171107507.db2.gz WGOKXQFXONGIMF-LLVKDONJSA-N 0 0 192.262 1.272 10 0 ADAERN CNc1ccc(O)c2ncccc12 71453881 171107539 /nfs/dbraw/zinc/10/75/39/171107539.db2.gz GCFQJEBOFZQPAH-UHFFFAOYSA-N 0 0 174.203 1.982 10 0 ADAERN CC1(C)COC[C@H](c2cccnc2)N1 71506123 171107765 /nfs/dbraw/zinc/10/77/65/171107765.db2.gz SSUVNFRGAFTEEX-SNVBAGLBSA-N 0 0 192.262 1.521 10 0 ADAERN Cc1ccccc1CCN(C)N 71495806 171107881 /nfs/dbraw/zinc/10/78/81/171107881.db2.gz BVIFYXMSSCNVAL-UHFFFAOYSA-N 0 0 164.252 1.343 10 0 ADAERN Cc1ccccc1[C@@H]1CN(N)CCO1 71506176 171107946 /nfs/dbraw/zinc/10/79/46/171107946.db2.gz IBQXXIYLORKHBH-NSHDSACASA-N 0 0 192.262 1.242 10 0 ADAERN CC1(C)COC[C@@H](c2ccccn2)N1 71506122 171108027 /nfs/dbraw/zinc/10/80/27/171108027.db2.gz ZSKRTIANGWZWEZ-JTQLQIEISA-N 0 0 192.262 1.521 10 0 ADAERN CC1(C)COC[C@H](c2ccccn2)N1 71506121 171108060 /nfs/dbraw/zinc/10/80/60/171108060.db2.gz ZSKRTIANGWZWEZ-SNVBAGLBSA-N 0 0 192.262 1.521 10 0 ADAERN CC1(C)COC[C@@H](c2cccnc2)N1 71506124 171108079 /nfs/dbraw/zinc/10/80/79/171108079.db2.gz SSUVNFRGAFTEEX-JTQLQIEISA-N 0 0 192.262 1.521 10 0 ADAERN NC(=O)c1cccc2[nH]c(=S)[nH]c12 71973172 171108341 /nfs/dbraw/zinc/10/83/41/171108341.db2.gz LUKMEALKPUFVQI-UHFFFAOYSA-N 0 0 193.231 1.324 10 0 ADAERN CC(C)=CC(=O)Nc1ccc(N)cn1 71742228 171108409 /nfs/dbraw/zinc/10/84/09/171108409.db2.gz QNIXHNMCQWXIFY-UHFFFAOYSA-N 0 0 191.234 1.569 10 0 ADAERN O=c1cc(C2CCC2)[nH]o1 71976597 171108431 /nfs/dbraw/zinc/10/84/31/171108431.db2.gz MBMRIHIMLITNMB-UHFFFAOYSA-N 0 0 139.154 1.648 10 0 ADAERN C/C=C\C(=O)N1C(=O)OC[C@@H]1C(C)C 71624524 171108437 /nfs/dbraw/zinc/10/84/37/171108437.db2.gz YZRHIMNEVFYTAJ-PULIVWKDSA-N 0 0 197.234 1.566 10 0 ADAERN CCCCc1cc(=O)o[nH]1 71976641 171108474 /nfs/dbraw/zinc/10/84/74/171108474.db2.gz XOFPQEJKGOHUSD-UHFFFAOYSA-N 0 0 141.170 1.723 10 0 ADAERN C/C=C\C(=O)N1C(=O)OC[C@H]1C(C)C 71624522 171108708 /nfs/dbraw/zinc/10/87/08/171108708.db2.gz YZRHIMNEVFYTAJ-LGYSABEFSA-N 0 0 197.234 1.566 10 0 ADAERN O=c1cc(C2CC2)[nH]o1 71976604 171108753 /nfs/dbraw/zinc/10/87/53/171108753.db2.gz CDKGCRJXZCECGO-UHFFFAOYSA-N 0 0 125.127 1.258 10 0 ADAERN CC1(C)[C@H]2CC[C@@](C)(O)[C@]1(O)C2 71790991 171108816 /nfs/dbraw/zinc/10/88/16/171108816.db2.gz XHDGJGJBAQDXON-SFGNSQDASA-N 0 0 170.252 1.308 10 0 ADAERN CCc1cc2c[nH]nc2cn1 148611539 344056440 /nfs/dbraw/zinc/05/64/40/344056440.db2.gz INCMKPKAQMUDKE-UHFFFAOYSA-N 0 0 147.181 1.520 10 0 ADAERN CC(C)c1ccccc1[C@H]([NH3+])C(=O)[O-] 72191093 171108970 /nfs/dbraw/zinc/10/89/70/171108970.db2.gz XRTLILVFDFHHSW-JTQLQIEISA-N 0 0 193.246 1.894 10 0 ADAERN O=C([O-])c1ccccc1[C@H]1CCC[NH2+]1 72201615 171109253 /nfs/dbraw/zinc/10/92/53/171109253.db2.gz MWVGTPFSXXXYMF-SNVBAGLBSA-N 0 0 191.230 1.809 10 0 ADAERN Oc1cccc([C@H]2CCOC2)c1 72193169 171109289 /nfs/dbraw/zinc/10/92/89/171109289.db2.gz QXWPCEZIKWZENS-VIFPVBQESA-N 0 0 164.204 1.896 10 0 ADAERN O=c1ncc(-c2ccoc2)c[nH]1 72192106 171109364 /nfs/dbraw/zinc/10/93/64/171109364.db2.gz SQWOKMVAISIYMN-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=c1[nH]c(-c2ccoc2)cs1 72191697 171109411 /nfs/dbraw/zinc/10/94/11/171109411.db2.gz ISZFLBJHPHSPRM-UHFFFAOYSA-N 0 0 167.189 1.696 10 0 ADAERN O=c1nccc(C2CCC2)[nH]1 72191756 171109446 /nfs/dbraw/zinc/10/94/46/171109446.db2.gz ZZRWPHJDDXLKGC-UHFFFAOYSA-N 0 0 150.181 1.037 10 0 ADAERN O=C([O-])c1ccccc1[C@@H]1CCC[NH2+]1 72201614 171109474 /nfs/dbraw/zinc/10/94/74/171109474.db2.gz MWVGTPFSXXXYMF-JTQLQIEISA-N 0 0 191.230 1.809 10 0 ADAERN Oc1cccc([C@@H]2CCOC2)c1 72193168 171109581 /nfs/dbraw/zinc/10/95/81/171109581.db2.gz QXWPCEZIKWZENS-SECBINFHSA-N 0 0 164.204 1.896 10 0 ADAERN O=c1ncc(C2CCC2)c[nH]1 72192097 171109718 /nfs/dbraw/zinc/10/97/18/171109718.db2.gz KCJWVZBWIYYMMA-UHFFFAOYSA-N 0 0 150.181 1.037 10 0 ADAERN O=c1nccc(C2CCCCC2)[nH]1 72191752 171109720 /nfs/dbraw/zinc/10/97/20/171109720.db2.gz SESZFKNCJOCABX-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN NNc1cccc(C(F)F)c1 148591415 344056444 /nfs/dbraw/zinc/05/64/44/344056444.db2.gz CCVANCDUTZXYGF-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN Cc1ccccc1[C@@H]1CNC(=O)CO1 72232718 171110708 /nfs/dbraw/zinc/11/07/08/171110708.db2.gz BDZXASNUBOMSMB-JTQLQIEISA-N 0 0 191.230 1.183 10 0 ADAERN C=C(Cl)/C=C/C(=O)OCC 72266084 171110763 /nfs/dbraw/zinc/11/07/63/171110763.db2.gz PIOMPUNIWAQCTF-SNAWJCMRSA-N 0 0 160.600 1.858 10 0 ADAERN CC(=O)OC1CC=CC1 72481838 171110813 /nfs/dbraw/zinc/11/08/13/171110813.db2.gz KTGITIRUQAYOGM-UHFFFAOYSA-N 0 0 126.155 1.268 10 0 ADAERN C=Cc1cc(C)cc[n+]1[O-] 72231376 171110835 /nfs/dbraw/zinc/11/08/35/171110835.db2.gz FPJOZAPPHBMVBV-UHFFFAOYSA-N 0 0 135.166 1.271 10 0 ADAERN [O-][n+]1ccccc1C1CC1 72231375 171110855 /nfs/dbraw/zinc/11/08/55/171110855.db2.gz TZJDCENTQNAPQG-UHFFFAOYSA-N 0 0 135.166 1.197 10 0 ADAERN Nc1c(Cl)c(=O)[nH]c2ccccc12 72416417 171110868 /nfs/dbraw/zinc/11/08/68/171110868.db2.gz WCKREMGBDBYDQA-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN Cc1ccnc(C=O)c1C 72231359 171111011 /nfs/dbraw/zinc/11/10/11/171111011.db2.gz MWOOSBQRFBGRDA-UHFFFAOYSA-N 0 0 135.166 1.511 10 0 ADAERN C=Cc1c(C)ccc[n+]1[O-] 72231457 171111178 /nfs/dbraw/zinc/11/11/78/171111178.db2.gz VYUZXKJVCFIUBI-UHFFFAOYSA-N 0 0 135.166 1.271 10 0 ADAERN O=c1nc2c(c[nH]1)Cc1ccccc1-2 72416088 171111204 /nfs/dbraw/zinc/11/12/04/171111204.db2.gz KJCMMMXBCOYTBG-UHFFFAOYSA-N 0 0 184.198 1.341 10 0 ADAERN O=c1ncc2c([nH]1)CCCCC2 72417107 171111271 /nfs/dbraw/zinc/11/12/71/171111271.db2.gz SWTLYDHVJOFEER-UHFFFAOYSA-N 0 0 164.208 1.039 10 0 ADAERN O=c1[nH]c2cc(F)cnc2o1 74330556 171111437 /nfs/dbraw/zinc/11/14/37/171111437.db2.gz CIRVLSKOKDBONA-UHFFFAOYSA-N 0 0 154.100 1.068 10 0 ADAERN NC(=O)c1n[nH]c2c1CCCCCC2 75337346 171111491 /nfs/dbraw/zinc/11/14/91/171111491.db2.gz AKEVGEUAHFBEFV-UHFFFAOYSA-N 0 0 193.250 1.168 10 0 ADAERN Nc1ccc(Cl)nc1N1CCCC1 74376097 171111516 /nfs/dbraw/zinc/11/15/16/171111516.db2.gz DYZGZFZPIAABHP-UHFFFAOYSA-N 0 0 197.669 1.917 10 0 ADAERN Cc1ccccc1Cc1nonc1N 75412785 171111588 /nfs/dbraw/zinc/11/15/88/171111588.db2.gz UOQAOMZGSOVJKO-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN Nc1n[nH]c(-c2cccs2)c1C=O 75430321 171111652 /nfs/dbraw/zinc/11/16/52/171111652.db2.gz MOVJMLDFYHLJAD-UHFFFAOYSA-N 0 0 193.231 1.533 10 0 ADAERN Nc1n[nH]c(-c2ccccc2)c1C=O 75430229 171111692 /nfs/dbraw/zinc/11/16/92/171111692.db2.gz QCQZKQNKNLIBHI-UHFFFAOYSA-N 0 0 187.202 1.471 10 0 ADAERN CC(C)c1cn2cccc(CO)c2n1 75409404 171111745 /nfs/dbraw/zinc/11/17/45/171111745.db2.gz KIPIISVZHNPPPR-UHFFFAOYSA-N 0 0 190.246 1.950 10 0 ADAERN CN(C)c1nccc(Cl)c1N 74378237 171111752 /nfs/dbraw/zinc/11/17/52/171111752.db2.gz TYXZPDWAQUKXBD-UHFFFAOYSA-N 0 0 171.631 1.383 10 0 ADAERN Nc1n[nH]c(-c2ccco2)c1C=O 75430347 171111917 /nfs/dbraw/zinc/11/19/17/171111917.db2.gz CZTOUPFWKWBWSO-UHFFFAOYSA-N 0 0 177.163 1.064 10 0 ADAERN COc1ccc2[nH]nc(C(C)=O)c2c1 75067952 171112020 /nfs/dbraw/zinc/11/20/20/171112020.db2.gz FHQPMSYQPUAWNV-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CC(C)c1cn2cc(CO)ccc2n1 74545631 171112066 /nfs/dbraw/zinc/11/20/66/171112066.db2.gz GPOZZUCDPOJEGN-UHFFFAOYSA-N 0 0 190.246 1.950 10 0 ADAERN CC(=O)Nc1ccc2nccn2c1 74859398 171112120 /nfs/dbraw/zinc/11/21/20/171112120.db2.gz JKJHBAJARQWCPN-UHFFFAOYSA-N 0 0 175.191 1.293 10 0 ADAERN OC/C=C\c1ccccc1O 75538710 171112268 /nfs/dbraw/zinc/11/22/68/171112268.db2.gz FDIWLEOZUNUOCT-HYXAFXHYSA-N 0 0 150.177 1.398 10 0 ADAERN C=Cc1cc(C=O)cn1C 75524903 171112721 /nfs/dbraw/zinc/11/27/21/171112721.db2.gz RTJOBORYZNSCCF-UHFFFAOYSA-N 0 0 135.166 1.481 10 0 ADAERN Oc1cccc2c1CC[C@H](O)C2 75546109 171112990 /nfs/dbraw/zinc/11/29/90/171112990.db2.gz RLPCSMSHLXZWNJ-QMMMGPOBSA-N 0 0 164.204 1.242 10 0 in-vitro ADAERN Oc1cccc2c1C[C@H](O)CC2 75546113 171112999 /nfs/dbraw/zinc/11/29/99/171112999.db2.gz LNLGJFLOBBEUPK-MRVPVSSYSA-N 0 0 164.204 1.242 10 0 ADAERN O=Cc1cccn1-n1cccc1 75544486 171113010 /nfs/dbraw/zinc/11/30/10/171113010.db2.gz IFCCHJOYNHLWJE-UHFFFAOYSA-N 0 0 160.176 1.414 10 0 ADAERN C[S@@](=O)c1ccc(C=O)s1 75564617 171113020 /nfs/dbraw/zinc/11/30/20/171113020.db2.gz MRHMYTTVDDDRIV-JTQLQIEISA-N 0 0 174.246 1.298 10 0 ADAERN Oc1cccc2c1CC[C@@H](O)C2 75546111 171113042 /nfs/dbraw/zinc/11/30/42/171113042.db2.gz RLPCSMSHLXZWNJ-MRVPVSSYSA-N 0 0 164.204 1.242 10 0 in-vitro ADAERN Nc1ccc2[nH]c(=S)[nH]c2n1 75547206 171113098 /nfs/dbraw/zinc/11/30/98/171113098.db2.gz VOXHGSHQLJQXNF-UHFFFAOYSA-N 0 0 166.209 1.203 10 0 ADAERN COc1ccc(O)c(C)c1OC 75555831 171113308 /nfs/dbraw/zinc/11/33/08/171113308.db2.gz MILRUUJPEZYDNN-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN C[C@H]1CN=C(c2ccccc2N)O1 75566586 171113485 /nfs/dbraw/zinc/11/34/85/171113485.db2.gz WCPGRWPEPNRLFD-ZETCQYMHSA-N 0 0 176.219 1.434 10 0 ADAERN NC(=O)c1cccc2cccc(O)c12 75577537 171113507 /nfs/dbraw/zinc/11/35/07/171113507.db2.gz BUNFGGNHCCNLOL-UHFFFAOYSA-N 0 0 187.198 1.644 10 0 ADAERN C=Cc1cc(N)c(OC)c(OC)c1 75569190 171113570 /nfs/dbraw/zinc/11/35/70/171113570.db2.gz HUELNUUQUADVHT-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN C=Cc1cc(OC)c(OC)cc1N 75569187 171113638 /nfs/dbraw/zinc/11/36/38/171113638.db2.gz KKCLOQDGZWRCKI-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN Nc1n[nH]cc1C(=O)c1ccccc1 75577580 171113653 /nfs/dbraw/zinc/11/36/53/171113653.db2.gz VZRRGPQFSVSHRE-UHFFFAOYSA-N 0 0 187.202 1.223 10 0 ADAERN COc1ccc(O)c(/C=C/CO)c1 75569880 171113656 /nfs/dbraw/zinc/11/36/56/171113656.db2.gz VAJOSZBHBVCHBU-NSCUHMNNSA-N 0 0 180.203 1.406 10 0 ADAERN O=C1N=NC(c2ccccc2O)O1 75568170 171113724 /nfs/dbraw/zinc/11/37/24/171113724.db2.gz GZEMTQWHVDJDBT-UHFFFAOYSA-N 0 0 178.147 1.148 10 0 ADAERN C=Cc1c(N)cccc1C(=O)OC 75567241 171113731 /nfs/dbraw/zinc/11/37/31/171113731.db2.gz IJRFIKOHCSERDT-UHFFFAOYSA-N 0 0 177.203 1.698 10 0 ADAERN O=c1nc(-c2ccccc2O)cc[nH]1 75578303 171113869 /nfs/dbraw/zinc/11/38/69/171113869.db2.gz UQHGUBHMZLFSFT-UHFFFAOYSA-N 0 0 188.186 1.555 10 0 ADAERN COc1ccc(O)c2ncncc12 75566127 171113873 /nfs/dbraw/zinc/11/38/73/171113873.db2.gz QLSKNFIUOOFDKG-UHFFFAOYSA-N 0 0 176.175 1.344 10 0 ADAERN CCc1[nH]c(=S)[nH]c(=O)c1CC 75576684 171113896 /nfs/dbraw/zinc/11/38/96/171113896.db2.gz WBWROCLSSUPQQS-UHFFFAOYSA-N 0 0 184.264 1.557 10 0 ADAERN C[C@@H]1CN=C(c2ccccc2N)O1 75566584 171113965 /nfs/dbraw/zinc/11/39/65/171113965.db2.gz WCPGRWPEPNRLFD-SSDOTTSWSA-N 0 0 176.219 1.434 10 0 ADAERN Oc1cccc(C2=NCCS2)c1 75569456 171113985 /nfs/dbraw/zinc/11/39/85/171113985.db2.gz KZCNFQZJBYZNGO-UHFFFAOYSA-N 0 0 179.244 1.886 10 0 ADAERN CO[C@@H]1c2cccc(O)c2CC[C@@H]1O 75596236 171114225 /nfs/dbraw/zinc/11/42/25/171114225.db2.gz HEPCVUPWIRAVPH-WDEREUQCSA-N 0 0 194.230 1.387 10 0 ADAERN O=C1N=NC(=O)N1c1ccc(O)cc1 75580011 171114258 /nfs/dbraw/zinc/11/42/58/171114258.db2.gz JUTKMAGGSDKXHP-UHFFFAOYSA-N 0 0 191.146 1.904 10 0 ADAERN O=S1(=O)CCCc2cc(O)ccc21 75600580 171114320 /nfs/dbraw/zinc/11/43/20/171114320.db2.gz CVNMJHIYEZLFEL-UHFFFAOYSA-N 0 0 198.243 1.112 10 0 ADAERN CC(C)N(C(N)=O)c1ccccc1O 75596549 171114364 /nfs/dbraw/zinc/11/43/64/171114364.db2.gz ULLIMJKSOKZVRM-UHFFFAOYSA-N 0 0 194.234 1.686 10 0 ADAERN CC1(C)COC(c2cccc(O)c2)=N1 75580120 171114433 /nfs/dbraw/zinc/11/44/33/171114433.db2.gz DITFWVRRERYEFZ-UHFFFAOYSA-N 0 0 191.230 1.948 10 0 ADAERN CO[C@@H]1c2c(O)cccc2CC[C@@H]1O 75596251 171114486 /nfs/dbraw/zinc/11/44/86/171114486.db2.gz QBRQAIMXHCCTLO-ONGXEEELSA-N 0 0 194.230 1.387 10 0 ADAERN CO[C@@H]1c2cccc(O)c2CC[C@H]1O 75596243 171114528 /nfs/dbraw/zinc/11/45/28/171114528.db2.gz HEPCVUPWIRAVPH-GHMZBOCLSA-N 0 0 194.230 1.387 10 0 ADAERN CC1(C)OC(=O)c2c(O)ccc(F)c21 75598714 171114555 /nfs/dbraw/zinc/11/45/55/171114555.db2.gz JSRKLZYCXJZFCY-UHFFFAOYSA-N 0 0 196.177 1.937 10 0 ADAERN CC(=O)OCC(=O)c1ccc(N)cc1 75581139 171114560 /nfs/dbraw/zinc/11/45/60/171114560.db2.gz QJTYRQLOPYKMJP-UHFFFAOYSA-N 0 0 193.202 1.015 10 0 ADAERN Oc1ccc(C2=NCCO2)c(Cl)c1 75600183 171114601 /nfs/dbraw/zinc/11/46/01/171114601.db2.gz WCFLKYWMIKNKRS-UHFFFAOYSA-N 0 0 197.621 1.822 10 0 ADAERN CC(=O)Nc1cc2c(cc1N)CCC2 75579841 171114620 /nfs/dbraw/zinc/11/46/20/171114620.db2.gz UEEMPJLXYRQCMS-UHFFFAOYSA-N 0 0 190.246 1.716 10 0 ADAERN CO[C@@H]1c2c(O)cccc2CC[C@H]1O 75596254 171114629 /nfs/dbraw/zinc/11/46/29/171114629.db2.gz QBRQAIMXHCCTLO-KOLCDFICSA-N 0 0 194.230 1.387 10 0 ADAERN CN1CCc2cc(C(C)(C)O)ccc21 75845900 171115094 /nfs/dbraw/zinc/11/50/94/171115094.db2.gz OLNYJGYGYIZJLZ-UHFFFAOYSA-N 0 0 191.274 1.906 10 0 ADAERN NC(=O)c1nc2cc(Cl)ccc2o1 75847585 171115119 /nfs/dbraw/zinc/11/51/19/171115119.db2.gz BAHPQIXUXZBHBC-UHFFFAOYSA-N 0 0 196.593 1.580 10 0 ADAERN NC(=O)c1nc2ccc(Cl)cc2o1 75847588 171115173 /nfs/dbraw/zinc/11/51/73/171115173.db2.gz CKNWBYIRGGXNKX-UHFFFAOYSA-N 0 0 196.593 1.580 10 0 ADAERN CNc1ccc(CO)cc1F 75844790 171115196 /nfs/dbraw/zinc/11/51/96/171115196.db2.gz XHPGQTSWEJISDE-UHFFFAOYSA-N 0 0 155.172 1.360 10 0 ADAERN NC(=S)c1nc2cnccc2s1 75851822 171115318 /nfs/dbraw/zinc/11/53/18/171115318.db2.gz MTRBAKDIXWZIQS-UHFFFAOYSA-N 0 0 195.272 1.326 10 0 ADAERN Fc1cc(F)c2c(c1)OCC2 75882939 171115722 /nfs/dbraw/zinc/11/57/22/171115722.db2.gz UTKSXTDOWQVAPB-UHFFFAOYSA-N 0 0 156.131 1.900 10 0 ADAERN Fc1cc(F)c2n[nH]cc2c1F 75903320 171115777 /nfs/dbraw/zinc/11/57/77/171115777.db2.gz MGFLBBHVFLVIBW-UHFFFAOYSA-N 0 0 172.109 1.980 10 0 ADAERN CN1CCCC[C@@H]1c1ncc[nH]1 75907145 171115895 /nfs/dbraw/zinc/11/58/95/171115895.db2.gz POJXJCXGNWQNEH-MRVPVSSYSA-N 0 0 165.240 1.567 10 0 ADAERN CN1CCCC[C@H]1c1ncc[nH]1 75907146 171115921 /nfs/dbraw/zinc/11/59/21/171115921.db2.gz POJXJCXGNWQNEH-QMMMGPOBSA-N 0 0 165.240 1.567 10 0 ADAERN NC(=S)Cc1ccc(N)cc1F 75932151 171115951 /nfs/dbraw/zinc/11/59/51/171115951.db2.gz IQWWUEUCBOVLRD-UHFFFAOYSA-N 0 0 184.239 1.237 10 0 ADAERN CC(=O)Nc1cccc2ncn(C)c12 76208420 171116296 /nfs/dbraw/zinc/11/62/96/171116296.db2.gz BLLJYUHYUJRPRO-UHFFFAOYSA-N 0 0 189.218 1.532 10 0 ADAERN Nc1ccc(F)cc1[C@H]1COCCN1 76137180 171116350 /nfs/dbraw/zinc/11/63/50/171116350.db2.gz ROIUNRIDOWNMSK-SNVBAGLBSA-N 0 0 196.225 1.069 10 0 ADAERN CC(=O)Nc1ccc2ncn(C)c2c1 76208343 171116361 /nfs/dbraw/zinc/11/63/61/171116361.db2.gz HKNPRYQPVWITCW-UHFFFAOYSA-N 0 0 189.218 1.532 10 0 ADAERN c1c[nH]c(-c2ccc3n[nH]cc3c2)n1 76188857 171116382 /nfs/dbraw/zinc/11/63/82/171116382.db2.gz HLHZPTIIBHRSOP-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN O=c1[nH]c2c(n1C1CC1)NCCC2 76131524 171116435 /nfs/dbraw/zinc/11/64/35/171116435.db2.gz ILCUMDDLIPLBMN-UHFFFAOYSA-N 0 0 179.223 1.282 10 0 ADAERN COC(=O)[C@H]1CCCc2c1ncn2C 76087339 171116447 /nfs/dbraw/zinc/11/64/47/171116447.db2.gz SHXAZMBFYFSMTO-ZETCQYMHSA-N 0 0 194.234 1.013 10 0 ADAERN Cc1ccccc1ON 76571034 171116452 /nfs/dbraw/zinc/11/64/52/171116452.db2.gz XVUUAHJGFJVHEG-UHFFFAOYSA-N 0 0 123.155 1.248 10 0 ADAERN COC(=O)[C@@H]1CCCc2c1ncn2C 76087343 171116477 /nfs/dbraw/zinc/11/64/77/171116477.db2.gz SHXAZMBFYFSMTO-SSDOTTSWSA-N 0 0 194.234 1.013 10 0 ADAERN c1c[nH]c(-c2ccc3c[nH]nc3c2)n1 76188858 171116510 /nfs/dbraw/zinc/11/65/10/171116510.db2.gz RMWTXKNYPBGCLX-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 ADAERN c1cnc2c(c1)ncn2C1CC1 75935099 171116521 /nfs/dbraw/zinc/11/65/21/171116521.db2.gz VDQXCRBENMFQHZ-UHFFFAOYSA-N 0 0 159.192 1.766 10 0 ADAERN COC(=O)[C@@H]1CCCc2ncn(C)c21 76087333 171116532 /nfs/dbraw/zinc/11/65/32/171116532.db2.gz MMUXQABXXMSDDS-SSDOTTSWSA-N 0 0 194.234 1.013 10 0 ADAERN COC(=O)[C@H]1CCCc2ncn(C)c21 76087336 171116613 /nfs/dbraw/zinc/11/66/13/171116613.db2.gz MMUXQABXXMSDDS-ZETCQYMHSA-N 0 0 194.234 1.013 10 0 ADAERN COC(=O)[C@H]1CCCc2nc(C)[nH]c21 76089191 171116727 /nfs/dbraw/zinc/11/67/27/171116727.db2.gz JVSGHMQSHDIPNY-ZETCQYMHSA-N 0 0 194.234 1.311 10 0 ADAERN COC(=O)[C@@H]1CCCc2nc(C)[nH]c21 76089195 171116738 /nfs/dbraw/zinc/11/67/38/171116738.db2.gz JVSGHMQSHDIPNY-SSDOTTSWSA-N 0 0 194.234 1.311 10 0 ADAERN NC(=S)c1ccc2n[nH]cc2c1 76188982 171116766 /nfs/dbraw/zinc/11/67/66/171116766.db2.gz LHNBATXYIDYAPA-UHFFFAOYSA-N 0 0 177.232 1.197 10 0 ADAERN FC(F)(F)c1nc2c([nH]1)CCCN2 76132474 171116769 /nfs/dbraw/zinc/11/67/69/171116769.db2.gz PDUBJODYXFNRBV-UHFFFAOYSA-N 0 0 191.156 1.787 10 0 ADAERN Nc1ccc(F)cc1[C@@H]1COCCN1 76137179 171116814 /nfs/dbraw/zinc/11/68/14/171116814.db2.gz ROIUNRIDOWNMSK-JTQLQIEISA-N 0 0 196.225 1.069 10 0 ADAERN CC(C)OC(=O)C(=O)C(C)C 76593044 171117253 /nfs/dbraw/zinc/11/72/53/171117253.db2.gz HIKOQAHHDJYUAJ-UHFFFAOYSA-N 0 0 158.197 1.163 10 0 ADAERN Cc1ccccc1CCON 76589215 171117419 /nfs/dbraw/zinc/11/74/19/171117419.db2.gz YBPONEMDENZVNQ-UHFFFAOYSA-N 0 0 151.209 1.428 10 0 ADAERN Cc1ccccc1NC1COC1 76594560 171117804 /nfs/dbraw/zinc/11/78/04/171117804.db2.gz CYDMUXRNTXZMPY-UHFFFAOYSA-N 0 0 163.220 1.806 10 0 ADAERN C[N@@H+]1CCCCC[C@H]1CC(=O)[O-] 76598624 171117818 /nfs/dbraw/zinc/11/78/18/171117818.db2.gz WURWMNPYHHRJEW-QMMMGPOBSA-N 0 0 171.240 1.336 10 0 ADAERN c1cncc(NC2CSC2)c1 76595619 171117844 /nfs/dbraw/zinc/11/78/44/171117844.db2.gz PAWPFFAEQFPNKD-UHFFFAOYSA-N 0 0 166.249 1.609 10 0 ADAERN C[N@@H+]1CCCCC[C@@H]1CC(=O)[O-] 76598623 171118045 /nfs/dbraw/zinc/11/80/45/171118045.db2.gz WURWMNPYHHRJEW-MRVPVSSYSA-N 0 0 171.240 1.336 10 0 ADAERN O=Cc1cccc2c1COCO2 76594667 171118214 /nfs/dbraw/zinc/11/82/14/171118214.db2.gz CZFCFAVQEWABHO-UHFFFAOYSA-N 0 0 164.160 1.366 10 0 ADAERN O=Cc1cccc2c1CCC(=O)N2 76600685 171118260 /nfs/dbraw/zinc/11/82/60/171118260.db2.gz CIVVBSNFJWXQPI-UHFFFAOYSA-N 0 0 175.187 1.384 10 0 ADAERN O=Cc1cccc2c1NC(=O)CC2 76600680 171118364 /nfs/dbraw/zinc/11/83/64/171118364.db2.gz SOCOYSRDNBKKNW-UHFFFAOYSA-N 0 0 175.187 1.384 10 0 ADAERN c1cnc2c(c1)N1CCC[C@@H]1CN2 76600821 171118612 /nfs/dbraw/zinc/11/86/12/171118612.db2.gz SHKNRFXVOSSFTN-MRVPVSSYSA-N 0 0 175.235 1.476 10 0 ADAERN CC1(C)[C@H](C(=O)[O-])C12CC[NH2+]CC2 76608060 171118649 /nfs/dbraw/zinc/11/86/49/171118649.db2.gz VOMYVCSILCRMIF-ZETCQYMHSA-N 0 0 183.251 1.097 10 0 ADAERN O=Cc1cccc(OC2COC2)c1 76602464 171118658 /nfs/dbraw/zinc/11/86/58/171118658.db2.gz JZKAZQZYZGBPFL-UHFFFAOYSA-N 0 0 178.187 1.277 10 0 ADAERN c1cnc2c(c1)N1CCC[C@H]1CN2 76600824 171119078 /nfs/dbraw/zinc/11/90/78/171119078.db2.gz SHKNRFXVOSSFTN-QMMMGPOBSA-N 0 0 175.235 1.476 10 0 ADAERN Cc1ccccc1C[C@@H]1COCC1=O 76634337 171119315 /nfs/dbraw/zinc/11/93/15/171119315.db2.gz CMMYPAGMZKNPHT-LLVKDONJSA-N 0 0 190.242 1.753 10 0 ADAERN Fc1ccc(CC[NH2+]C2COC2)cc1 76636447 171119415 /nfs/dbraw/zinc/11/94/15/171119415.db2.gz BWRUNRZHEGEVQD-UHFFFAOYSA-N 0 0 195.237 1.357 10 0 ADAERN O=C([O-])[C@]1(CC(F)(F)F)CCC[NH2+]1 76637119 171119477 /nfs/dbraw/zinc/11/94/77/171119477.db2.gz VZQYGZXOPRPNAY-ZCFIWIBFSA-N 0 0 197.156 1.146 10 0 ADAERN O=C([O-])[C@@]1(CC(F)(F)F)CCC[NH2+]1 76637121 171119479 /nfs/dbraw/zinc/11/94/79/171119479.db2.gz VZQYGZXOPRPNAY-LURJTMIESA-N 0 0 197.156 1.146 10 0 ADAERN O=Cc1ccccc1OC1CSC1 76636076 171119510 /nfs/dbraw/zinc/11/95/10/171119510.db2.gz ZYFDKZINXCCGIF-UHFFFAOYSA-N 0 0 194.255 1.993 10 0 ADAERN O=C([O-])C[C@H]1C[NH2+]Cc2sccc21 76637238 171119516 /nfs/dbraw/zinc/11/95/16/171119516.db2.gz RQEXMHUWBFNMMH-LURJTMIESA-N 0 0 197.259 1.410 10 0 ADAERN c1c2c(cc3c1OCCO3)NCCN2 76887661 171119631 /nfs/dbraw/zinc/11/96/31/171119631.db2.gz AWAUNQYKVNGCHW-UHFFFAOYSA-N 0 0 192.218 1.295 10 0 ADAERN Cc1ccccc1C[C@H]1COCC1=O 76634338 171119674 /nfs/dbraw/zinc/11/96/74/171119674.db2.gz CMMYPAGMZKNPHT-NSHDSACASA-N 0 0 190.242 1.753 10 0 ADAERN O=C([O-])C[C@@H]1C[NH2+]Cc2sccc21 76637236 171119770 /nfs/dbraw/zinc/11/97/70/171119770.db2.gz RQEXMHUWBFNMMH-ZCFIWIBFSA-N 0 0 197.259 1.410 10 0 ADAERN CC(C)/C=C/[C@@H](C)O 77260001 171120294 /nfs/dbraw/zinc/12/02/94/171120294.db2.gz CIBOIYZNTDDUCJ-SMMXGFFBSA-N 0 0 114.188 1.579 10 0 ADAERN COc1ccc2[nH]cnc2c1OC 78216929 171120344 /nfs/dbraw/zinc/12/03/44/171120344.db2.gz WIBFAFJXJRXRQK-UHFFFAOYSA-N 0 0 178.191 1.580 10 0 ADAERN CCCCc1c(N)[nH][nH]c1=O 77260862 171120421 /nfs/dbraw/zinc/12/04/21/171120421.db2.gz PSHBMQUBWCYRGP-UHFFFAOYSA-N 0 0 155.201 1.040 10 0 ADAERN NC(=O)c1ccc(-c2ncc[nH]2)cc1 78216912 171120520 /nfs/dbraw/zinc/12/05/20/171120520.db2.gz UOCZLIVCMWETBM-UHFFFAOYSA-N 0 0 187.202 1.176 10 0 ADAERN CC(C)/C=C/[C@H](C)O 77260002 171120706 /nfs/dbraw/zinc/12/07/06/171120706.db2.gz CIBOIYZNTDDUCJ-KPJROHGDSA-N 0 0 114.188 1.579 10 0 ADAERN O=[N+]([O-])/C(=C/c1ccsc1)CO 44547594 171120927 /nfs/dbraw/zinc/12/09/27/171120927.db2.gz KFRCZAFNQLWEMR-XVNBXDOJSA-N 0 0 185.204 1.358 10 0 ADAERN COc1ccc2[nH]cc(N)c2n1 44712857 171120958 /nfs/dbraw/zinc/12/09/58/171120958.db2.gz IXMBAPFNHNWCTG-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 in-vitro ADAERN c1cncc(Cc2ncc[nH]2)c1 82116705 171121005 /nfs/dbraw/zinc/12/10/05/171121005.db2.gz SMWGXGDAMQMEFH-UHFFFAOYSA-N 0 0 159.192 1.396 10 0 ADAERN O=Cc1ccccc1-c1c[nH]nn1 82089730 171121194 /nfs/dbraw/zinc/12/11/94/171121194.db2.gz NBGSUCHTOAMZQL-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN Oc1ccc(C2OCCO2)cc1 44227583 171121232 /nfs/dbraw/zinc/12/12/32/171121232.db2.gz PZRQGGWYPVFVCJ-UHFFFAOYSA-N 0 0 166.176 1.438 10 0 ADAERN c1cnc2c(c1)NCC[C@H]1CCCN21 82390790 171121613 /nfs/dbraw/zinc/12/16/13/171121613.db2.gz JOYCOAJASGUDEN-SECBINFHSA-N 0 0 189.262 1.866 10 0 ADAERN c1cnc2c(c1)NCC[C@@H]1CCCN21 82390791 171121741 /nfs/dbraw/zinc/12/17/41/171121741.db2.gz JOYCOAJASGUDEN-VIFPVBQESA-N 0 0 189.262 1.866 10 0 ADAERN O=Cc1ccc(CC(F)(F)F)nc1 82391142 171121779 /nfs/dbraw/zinc/12/17/79/171121779.db2.gz JIZAGTBZRXYFLB-UHFFFAOYSA-N 0 0 189.136 1.999 10 0 ADAERN [NH3+]C1CCC(n2cc([O-])cn2)CC1 82395793 171121925 /nfs/dbraw/zinc/12/19/25/171121925.db2.gz PVVNZGFZFAZUTA-UHFFFAOYSA-N 0 0 181.239 1.031 10 0 ADAERN Brc1cc2ncccn2n1 82384698 171122069 /nfs/dbraw/zinc/12/20/69/171122069.db2.gz VYQGFUFEQYLINB-UHFFFAOYSA-N 0 0 198.023 1.492 10 0 ADAERN NCC(=O)c1coc2ccccc12 82399214 171122300 /nfs/dbraw/zinc/12/23/00/171122300.db2.gz PHNPZIDRLWHJEU-UHFFFAOYSA-N 0 0 175.187 1.574 10 0 ADAERN Nc1c(C=O)ccc2cc[nH]c12 82405360 171122322 /nfs/dbraw/zinc/12/23/22/171122322.db2.gz FBJUVEHSNSALOM-UHFFFAOYSA-N 0 0 160.176 1.563 10 0 ADAERN NC1(c2nc3ccncc3o2)CC1 82399177 171122453 /nfs/dbraw/zinc/12/24/53/171122453.db2.gz PQQHFZUFZOLWSK-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN NC(=O)c1cc(N)c(Cl)s1 82398570 171122663 /nfs/dbraw/zinc/12/26/63/171122663.db2.gz MVBWSFDBRXTSCZ-UHFFFAOYSA-N 0 0 176.628 1.083 10 0 ADAERN CN1CCc2cc(C=O)oc2C1 82403566 171122759 /nfs/dbraw/zinc/12/27/59/171122759.db2.gz YRRATCLHWYEJAI-UHFFFAOYSA-N 0 0 165.192 1.080 10 0 ADAERN Nc1c(C=O)ccc2[nH]ccc12 82405359 171122788 /nfs/dbraw/zinc/12/27/88/171122788.db2.gz SPTYNAWEIVCOCG-UHFFFAOYSA-N 0 0 160.176 1.563 10 0 ADAERN CC(C)c1ccncc1N 82413774 171123095 /nfs/dbraw/zinc/12/30/95/171123095.db2.gz OJHNYMRENKHHMZ-UHFFFAOYSA-N 0 0 136.198 1.787 10 0 ADAERN Cc1c[nH]cc1C=O 82411867 171123147 /nfs/dbraw/zinc/12/31/47/171123147.db2.gz KCHDFGJRSBTOMS-UHFFFAOYSA-N 0 0 109.128 1.136 10 0 ADAERN Nc1ccc(F)c2[nH]ccc12 82408472 171123195 /nfs/dbraw/zinc/12/31/95/171123195.db2.gz MLFBYYSFUXPZFM-UHFFFAOYSA-N 0 0 150.156 1.889 10 0 ADAERN CCCc1ncncc1N 82410760 171123256 /nfs/dbraw/zinc/12/32/56/171123256.db2.gz FMLQBOUJIDPSMQ-UHFFFAOYSA-N 0 0 137.186 1.011 10 0 ADAERN O=Cc1cccc2conc12 82408912 171123308 /nfs/dbraw/zinc/12/33/08/171123308.db2.gz NNUFIVNLOSPUFW-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN Cc1ccnc(-n2nc(C)cc2C)n1 82615527 171123445 /nfs/dbraw/zinc/12/34/45/171123445.db2.gz AXYVVNGGPHICAI-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN CN(C)c1ncc(Cl)cc1N 82529234 171123527 /nfs/dbraw/zinc/12/35/27/171123527.db2.gz JHSHVDBAEBIKHT-UHFFFAOYSA-N 0 0 171.631 1.383 10 0 ADAERN c1cncc(CNc2cncnc2)c1 82711449 171124647 /nfs/dbraw/zinc/12/46/47/171124647.db2.gz LPPZIGDPXGXSRV-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN COCC(=O)CC(F)(F)F 82718629 171124850 /nfs/dbraw/zinc/12/48/50/171124850.db2.gz FEZGMEWKEWFTAK-UHFFFAOYSA-N 0 0 156.103 1.154 10 0 ADAERN CC(=O)CCCF 82828803 171124967 /nfs/dbraw/zinc/12/49/67/171124967.db2.gz NVLPUNYDSOXZES-UHFFFAOYSA-N 0 0 104.124 1.325 10 0 ADAERN [NH3+]Cc1ccc2cc(C(=O)[O-])[nH]c2c1 82882632 171127079 /nfs/dbraw/zinc/12/70/79/171127079.db2.gz PUSFHQIRZDCVEP-UHFFFAOYSA-N 0 0 190.202 1.325 10 0 ADAERN O=C1NC(=O)[C@H](C2CCCCCC2)N1 82909175 171127735 /nfs/dbraw/zinc/12/77/35/171127735.db2.gz WODDAYPUJKJOFJ-QMMMGPOBSA-N 0 0 196.250 1.165 10 0 ADAERN O=C1NC(=O)[C@@H](C2CCCCCC2)N1 82909174 171127971 /nfs/dbraw/zinc/12/79/71/171127971.db2.gz WODDAYPUJKJOFJ-MRVPVSSYSA-N 0 0 196.250 1.165 10 0 ADAERN COc1cc(C(N)=O)cc(C)c1C 148807496 344059017 /nfs/dbraw/zinc/05/90/17/344059017.db2.gz QFTBUAQXOQPSEI-UHFFFAOYSA-N 0 0 179.219 1.411 10 0 ADAERN COc1ccccc1[C@@H](O)C(F)F 83141950 171128791 /nfs/dbraw/zinc/12/87/91/171128791.db2.gz GUDWGQXDFKAHHL-MRVPVSSYSA-N 0 0 188.173 1.994 10 0 ADAERN NC(=S)Cc1cccc(O)c1 83339881 171130690 /nfs/dbraw/zinc/13/06/90/171130690.db2.gz VYXHFXUEJOWFDX-UHFFFAOYSA-N 0 0 167.233 1.221 10 0 ADAERN COC(=O)[C@H]1CC[C@@H]2CCCC[C@@H]2N1 83823802 171130766 /nfs/dbraw/zinc/13/07/66/171130766.db2.gz YIEVPUOESIONJD-LPEHRKFASA-N 0 0 197.278 1.470 10 0 ADAERN NC1(c2nnc(C3CCC3)o2)CC1 83340396 171130834 /nfs/dbraw/zinc/13/08/34/171130834.db2.gz GXXASICTVLHINO-UHFFFAOYSA-N 0 0 179.223 1.285 10 0 ADAERN c1c[nH]c(CNc2ccon2)c1 83339755 171130866 /nfs/dbraw/zinc/13/08/66/171130866.db2.gz OOSFQCLQQDDSNF-UHFFFAOYSA-N 0 0 163.180 1.615 10 0 ADAERN COC(=O)[C@H]1CC[C@H]2CCCC[C@@H]2N1 83823804 171131074 /nfs/dbraw/zinc/13/10/74/171131074.db2.gz YIEVPUOESIONJD-KXUCPTDWSA-N 0 0 197.278 1.470 10 0 ADAERN NC1(c2nnc(C3CC=CC3)o2)CC1 83341654 171131222 /nfs/dbraw/zinc/13/12/22/171131222.db2.gz RXWHDUAZLBHTRC-UHFFFAOYSA-N 0 0 191.234 1.451 10 0 ADAERN c1[nH]cc2c1CSC2 45803032 171131311 /nfs/dbraw/zinc/13/13/11/171131311.db2.gz PACRFWGPIBIQLV-UHFFFAOYSA-N 0 0 125.196 1.762 10 0 ADAERN C=Cc1c[nH]c(C(=O)OC)c1 45792874 171131325 /nfs/dbraw/zinc/13/13/25/171131325.db2.gz VCXXDJWJJSFYLL-UHFFFAOYSA-N 0 0 151.165 1.444 10 0 ADAERN COC(=O)c1[nH]cc(C)c1F 45800828 171131414 /nfs/dbraw/zinc/13/14/14/171131414.db2.gz JAFNGNSAVLEWNW-UHFFFAOYSA-N 0 0 157.144 1.249 10 0 ADAERN NC(=S)c1ccc2c[nH]nc2c1 84582126 171131443 /nfs/dbraw/zinc/13/14/43/171131443.db2.gz JFWRHLLNYHRPQE-UHFFFAOYSA-N 0 0 177.232 1.197 10 0 ADAERN CNc1ccc(C)cc1O 84426096 171131491 /nfs/dbraw/zinc/13/14/91/171131491.db2.gz ZPANULQQGNTITL-UHFFFAOYSA-N 0 0 137.182 1.742 10 0 in-vitro ADAERN CNc1ccc(F)c(O)c1 84426192 171131502 /nfs/dbraw/zinc/13/15/02/171131502.db2.gz PWNIAIMUDRMTSQ-UHFFFAOYSA-N 0 0 141.145 1.573 10 0 ADAERN NC(=S)c1cccc2c[nH]nc12 84582127 171131582 /nfs/dbraw/zinc/13/15/82/171131582.db2.gz HHWHQKFVHBJFPG-UHFFFAOYSA-N 0 0 177.232 1.197 10 0 ADAERN COCC(=O)C1CCC1 84327242 171131761 /nfs/dbraw/zinc/13/17/61/171131761.db2.gz KEGFLJGKLFWOHI-UHFFFAOYSA-N 0 0 128.171 1.002 10 0 ADAERN C=Cc1cc(C(=O)OC)c[nH]1 45800823 171131895 /nfs/dbraw/zinc/13/18/95/171131895.db2.gz YAMDUOULBMQPRI-UHFFFAOYSA-N 0 0 151.165 1.444 10 0 ADAERN O=Cc1cccc2c1C(=O)N=C2 85345508 171132231 /nfs/dbraw/zinc/13/22/31/171132231.db2.gz AVMCXUIIIYANHU-UHFFFAOYSA-N 0 0 159.144 1.072 10 0 ADAERN O=C([O-])C1(CC2CC2)CC[NH2+]CC1 86341272 171132259 /nfs/dbraw/zinc/13/22/59/171132259.db2.gz BXYPGJTZQDLQQX-UHFFFAOYSA-N 0 0 183.251 1.241 10 0 ADAERN OC/C=C/c1ccsc1 86209920 171132397 /nfs/dbraw/zinc/13/23/97/171132397.db2.gz JHBVVETVSPASKG-OWOJBTEDSA-N 0 0 140.207 1.754 10 0 ADAERN O=C1N=Cc2cccc(Cl)c21 85345492 171132401 /nfs/dbraw/zinc/13/24/01/171132401.db2.gz NABTVZYMIRDREV-UHFFFAOYSA-N 0 0 165.579 1.913 10 0 ADAERN CC(C)c1cccc2[nH]c(=O)[nH]c12 89195061 171132917 /nfs/dbraw/zinc/13/29/17/171132917.db2.gz AQSMGQMCZYALLB-UHFFFAOYSA-N 0 0 176.219 1.980 10 0 ADAERN COc1ccc2c(C(C)=O)n[nH]c2c1 89195979 171132984 /nfs/dbraw/zinc/13/29/84/171132984.db2.gz JYGKNKIBBSNYHB-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN Oc1cccc2[nH]nc(F)c12 89195835 171133080 /nfs/dbraw/zinc/13/30/80/171133080.db2.gz CVXNBDRIWIXVNK-UHFFFAOYSA-N 0 0 152.128 1.408 10 0 ADAERN CNc1ccc(N)cc1O 88189544 171133089 /nfs/dbraw/zinc/13/30/89/171133089.db2.gz FTUBFXRLNGANHN-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN COc1ccccc1[C@@H](C)NC(N)=O 86865097 171133192 /nfs/dbraw/zinc/13/31/92/171133192.db2.gz CGTVFIQMXAEKRV-SSDOTTSWSA-N 0 0 194.234 1.425 10 0 ADAERN C[C@H]1OC(=O)CC1(C)C 88285407 171133197 /nfs/dbraw/zinc/13/31/97/171133197.db2.gz LPLUNGXZFNJJBZ-RXMQYKEDSA-N 0 0 128.171 1.348 10 0 ADAERN c1c[nH]c(C[C@H]2CCCO2)n1 90155591 171133611 /nfs/dbraw/zinc/13/36/11/171133611.db2.gz GFJFZWDOPZOVBL-SSDOTTSWSA-N 0 0 152.197 1.131 10 0 ADAERN CN(C)c1n[nH]c2ncccc12 89224493 171133628 /nfs/dbraw/zinc/13/36/28/171133628.db2.gz GZQCEVLCOURHJB-UHFFFAOYSA-N 0 0 162.196 1.024 10 0 ADAERN CC(=O)Nc1cc(C=O)cc(C=O)c1 90129502 171133651 /nfs/dbraw/zinc/13/36/51/171133651.db2.gz GAVPLEKQQARLQC-UHFFFAOYSA-N 0 0 191.186 1.270 10 0 ADAERN CC(=O)Nc1ccc2ncsc2n1 89229877 171133713 /nfs/dbraw/zinc/13/37/13/171133713.db2.gz QXLUZYZWZWKONO-UHFFFAOYSA-N 0 0 193.231 1.650 10 0 ADAERN Nc1ccc2c(Cl)n[nH]c2c1N 89200414 171133753 /nfs/dbraw/zinc/13/37/53/171133753.db2.gz KFBHMVWBLMJDIU-UHFFFAOYSA-N 0 0 182.614 1.381 10 0 ADAERN Nc1ccc(N)c2[nH]ccc12 89204712 171133761 /nfs/dbraw/zinc/13/37/61/171133761.db2.gz IHUVUGGCPGQVIF-UHFFFAOYSA-N 0 0 147.181 1.332 10 0 ADAERN CC(=O)c1cc(C)cn2ccnc12 89202551 171133788 /nfs/dbraw/zinc/13/37/88/171133788.db2.gz CJXXJVKATXAIDN-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN CC(=O)c1ccc(C)n2ccnc12 89202401 171133817 /nfs/dbraw/zinc/13/38/17/171133817.db2.gz DLHCMEPHUXNSKD-UHFFFAOYSA-N 0 0 174.203 1.845 10 0 ADAERN Oc1ccc(Cl)c2n[nH]cc12 89196546 171133859 /nfs/dbraw/zinc/13/38/59/171133859.db2.gz SWFUJMZGOFIFCT-UHFFFAOYSA-N 0 0 168.583 1.922 10 0 ADAERN O=c1nc2c(Cl)c[nH]cc-2o1 89211746 171133912 /nfs/dbraw/zinc/13/39/12/171133912.db2.gz POVASVKEOYIREZ-UHFFFAOYSA-N 0 0 170.555 1.582 10 0 ADAERN CC(=O)Nc1ccc2c(c1)NCC2 89209857 171133913 /nfs/dbraw/zinc/13/39/13/171133913.db2.gz GERYCMLJVHWIJW-UHFFFAOYSA-N 0 0 176.219 1.613 10 0 ADAERN CC(=O)Nc1ccc2[nH]ccc2n1 89221233 171133929 /nfs/dbraw/zinc/13/39/29/171133929.db2.gz FCGKREFBCAZJMR-UHFFFAOYSA-N 0 0 175.191 1.521 10 0 ADAERN COc1ccc2n[nH]cc2c1C 89196474 171133943 /nfs/dbraw/zinc/13/39/43/171133943.db2.gz XBGFJNJKSTWMCF-UHFFFAOYSA-N 0 0 162.192 1.880 10 0 ADAERN OCCSc1ncnc2cc[nH]c12 89223742 171133964 /nfs/dbraw/zinc/13/39/64/171133964.db2.gz DXYRKSDIOJOQBE-UHFFFAOYSA-N 0 0 195.247 1.042 10 0 ADAERN c1c[nH]c(-c2nccc3nc[nH]c23)n1 89203008 171134000 /nfs/dbraw/zinc/13/40/00/171134000.db2.gz BTDOWUMBLKIPAD-UHFFFAOYSA-N 0 0 185.190 1.348 10 0 ADAERN FC(F)(F)c1nccc2nc[nH]c12 89203016 171134019 /nfs/dbraw/zinc/13/40/19/171134019.db2.gz IADUTHPCDKCKPO-UHFFFAOYSA-N 0 0 187.124 1.977 10 0 ADAERN FC(F)(F)c1ncc2c[nH]nc2n1 89222240 171134030 /nfs/dbraw/zinc/13/40/30/171134030.db2.gz YLHJICKMWMIRJE-UHFFFAOYSA-N 0 0 188.112 1.372 10 0 ADAERN O=c1[nH]c(Cl)cc2nc[nH]c12 89203248 171134046 /nfs/dbraw/zinc/13/40/46/171134046.db2.gz HIEGVVVCZYVIBQ-UHFFFAOYSA-N 0 0 169.571 1.317 10 0 ADAERN c1c[nH]c(C[C@@H]2CCCO2)n1 90155590 171134066 /nfs/dbraw/zinc/13/40/66/171134066.db2.gz GFJFZWDOPZOVBL-ZETCQYMHSA-N 0 0 152.197 1.131 10 0 ADAERN CN1CCOC12CCCC2 90505135 171134071 /nfs/dbraw/zinc/13/40/71/171134071.db2.gz CDICCDRECWORAZ-UHFFFAOYSA-N 0 0 141.214 1.219 10 0 ADAERN OCCSc1ccc2c(c1)CCN2 89209718 171134153 /nfs/dbraw/zinc/13/41/53/171134153.db2.gz XLYTVZHVQGLEAL-UHFFFAOYSA-N 0 0 195.287 1.739 10 0 ADAERN O=C1C=C(Nc2ccccc2)CCO1 91365921 171134431 /nfs/dbraw/zinc/13/44/31/171134431.db2.gz WCDJOQQHCGLNRL-UHFFFAOYSA-N 0 0 189.214 1.929 10 0 ADAERN CC(=O)CS[C@]1(C)CC=CO1 91351541 171134663 /nfs/dbraw/zinc/13/46/63/171134663.db2.gz AAOYBTHUIHRUGZ-MRVPVSSYSA-N 0 0 172.249 1.959 10 0 ADAERN N#COCc1ccc2c(c1)OCO2 90569051 171134718 /nfs/dbraw/zinc/13/47/18/171134718.db2.gz ICRZUTUARYZVMU-UHFFFAOYSA-N 0 0 177.159 1.413 10 0 ADAERN CC(=O)CS[C@@]1(C)CC=CO1 91351543 171134835 /nfs/dbraw/zinc/13/48/35/171134835.db2.gz AAOYBTHUIHRUGZ-QMMMGPOBSA-N 0 0 172.249 1.959 10 0 ADAERN F[C@@H]1NCc2ccccc21 91302270 171134869 /nfs/dbraw/zinc/13/48/69/171134869.db2.gz QHHIRXCIZQLEDO-MRVPVSSYSA-N 0 0 137.157 1.758 10 0 ADAERN CO[C@@H]1Oc2cccc(O)c2O1 137387268 171135023 /nfs/dbraw/zinc/13/50/23/171135023.db2.gz XKMGSTMOLPFHCU-MRVPVSSYSA-N 0 0 168.148 1.093 10 0 in-vitro ADAERN CC(=O)C[C@@H]1OC(=O)CC1(C)C 140106057 171135260 /nfs/dbraw/zinc/13/52/60/171135260.db2.gz DOACBFJRVJJDMN-ZETCQYMHSA-N 0 0 170.208 1.307 10 0 ADAERN [NH3+]C1CCC2(CC1)CCN(C(=O)[O-])C2 95077326 171135280 /nfs/dbraw/zinc/13/52/80/171135280.db2.gz WRHDUTLVFXNYSC-UHFFFAOYSA-N 0 0 198.266 1.258 10 0 ADAERN OCCC[C@@H]1Cc2ccccc2N1 135769505 171135313 /nfs/dbraw/zinc/13/53/13/171135313.db2.gz BWEDDFZLEAXGJD-SNVBAGLBSA-N 0 0 177.247 1.796 10 0 ADAERN 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O=S1(=O)C=Cc2cc(O)ccc2O1 95585235 171136291 /nfs/dbraw/zinc/13/62/91/171136291.db2.gz VAQVBXKIUYUXIY-UHFFFAOYSA-N 0 0 198.199 1.085 10 0 ADAERN CN(C)c1nc2ccc(N)cc2s1 58538459 171136321 /nfs/dbraw/zinc/13/63/21/171136321.db2.gz XBRPZCYYIMNUQG-UHFFFAOYSA-N 0 0 193.275 1.945 10 0 ADAERN C[NH+](C)CCSC(=S)[S-] 95092980 171136324 /nfs/dbraw/zinc/13/63/24/171136324.db2.gz UGEBUHPNYGWVKN-UHFFFAOYSA-N 0 0 181.351 1.496 10 0 ADAERN FC(F)(F)c1onc2c1CCNC2 95627224 171136512 /nfs/dbraw/zinc/13/65/12/171136512.db2.gz LVWLCCJZCDQLEZ-UHFFFAOYSA-N 0 0 192.140 1.339 10 0 ADAERN COc1ccc(O)c(Cl)n1 95630945 171136553 /nfs/dbraw/zinc/13/65/53/171136553.db2.gz AFDFZFATXKCOJH-UHFFFAOYSA-N 0 0 159.572 1.449 10 0 ADAERN C[C@@H]1CCO[C@@]12CCCC(=O)C2 144668104 171136633 /nfs/dbraw/zinc/13/66/33/171136633.db2.gz HCSBPVKILIKUKC-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@H]1CCO[C@@]12CCCC(=O)C2 144668314 171136749 /nfs/dbraw/zinc/13/67/49/171136749.db2.gz HCSBPVKILIKUKC-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN 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NC(=O)c1ccc(O)c(CC2CC2)c1 95720851 171137195 /nfs/dbraw/zinc/13/71/95/171137195.db2.gz ASKHOOBIYYYWAF-UHFFFAOYSA-N 0 0 191.230 1.444 10 0 ADAERN CN(C)c1cncc(F)c1OC1CC1 95723088 171137235 /nfs/dbraw/zinc/13/72/35/171137235.db2.gz SKEQXHHJXBLBDH-UHFFFAOYSA-N 0 0 196.225 1.828 10 0 ADAERN NC(=O)c1ccc(CC2CC2)cc1O 95713563 171137244 /nfs/dbraw/zinc/13/72/44/171137244.db2.gz MPJPTEOEVUAEMO-UHFFFAOYSA-N 0 0 191.230 1.444 10 0 ADAERN CNc1ccc(O)c(N(C)C)c1 95719631 171137258 /nfs/dbraw/zinc/13/72/58/171137258.db2.gz SMCMMFITINXICE-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN CN(C)c1nccc(F)c1OC1CC1 95712722 171137265 /nfs/dbraw/zinc/13/72/65/171137265.db2.gz UNPFGMHYPJJKKC-UHFFFAOYSA-N 0 0 196.225 1.828 10 0 ADAERN CNc1ccc(O)c(NC)c1 95721699 171137268 /nfs/dbraw/zinc/13/72/68/171137268.db2.gz WLBMTUCZMXIARC-UHFFFAOYSA-N 0 0 152.197 1.476 10 0 ADAERN CN(C)c1ncc(OC2CC2)cc1F 95723419 171137315 /nfs/dbraw/zinc/13/73/15/171137315.db2.gz DIUSQQGLZORCFI-UHFFFAOYSA-N 0 0 196.225 1.828 10 0 ADAERN 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O=Cc1ccc(C=O)c(OC2CC2)c1 95721204 171137424 /nfs/dbraw/zinc/13/74/24/171137424.db2.gz ZYVXMXJJXBHDEC-UHFFFAOYSA-N 0 0 190.198 1.853 10 0 ADAERN Cc1ccnc(N(C)C)c1OC1CC1 95723092 171137482 /nfs/dbraw/zinc/13/74/82/171137482.db2.gz FJGFSSVITWWAML-UHFFFAOYSA-N 0 0 192.262 1.997 10 0 ADAERN NC(=O)c1ccccc1OC1CC1 95723468 171137493 /nfs/dbraw/zinc/13/74/93/171137493.db2.gz FJPDPHPXQRVLPP-UHFFFAOYSA-N 0 0 177.203 1.327 10 0 ADAERN NC(=O)c1cccc(O)c1CC1CC1 95721256 171137523 /nfs/dbraw/zinc/13/75/23/171137523.db2.gz LUOWIEITHKKYCL-UHFFFAOYSA-N 0 0 191.230 1.444 10 0 ADAERN NC(=O)c1cccc(CC2CC2)c1O 95723732 171137544 /nfs/dbraw/zinc/13/75/44/171137544.db2.gz PKWXTAIMXRSFII-UHFFFAOYSA-N 0 0 191.230 1.444 10 0 ADAERN NC(=O)c1cccc(O)c1Cl 95719766 171137555 /nfs/dbraw/zinc/13/75/55/171137555.db2.gz IATMPNZNNBBKAZ-UHFFFAOYSA-N 0 0 171.583 1.145 10 0 ADAERN NC(=O)c1cc(O)cc(CC2CC2)c1 95721553 171137562 /nfs/dbraw/zinc/13/75/62/171137562.db2.gz OKMBECOCYXSLES-UHFFFAOYSA-N 0 0 191.230 1.444 10 0 ADAERN 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NC(=O)c1cccc(F)c1OC1CC1 95736897 171137862 /nfs/dbraw/zinc/13/78/62/171137862.db2.gz SPOUVXMEXHQXSC-UHFFFAOYSA-N 0 0 195.193 1.466 10 0 ADAERN O=Cc1cccc(C=O)c1OC1CC1 95724649 171137865 /nfs/dbraw/zinc/13/78/65/171137865.db2.gz PJRCZFQPTGRKQT-UHFFFAOYSA-N 0 0 190.198 1.853 10 0 ADAERN NC(=O)c1ccc(F)c(OC2CC2)c1 95736831 171137878 /nfs/dbraw/zinc/13/78/78/171137878.db2.gz UNDNISLMCXXAOO-UHFFFAOYSA-N 0 0 195.193 1.466 10 0 ADAERN NC(=O)c1cc(F)ccc1OC1CC1 95736776 171137889 /nfs/dbraw/zinc/13/78/89/171137889.db2.gz SNZNHYSCYIPKFN-UHFFFAOYSA-N 0 0 195.193 1.466 10 0 ADAERN CN(C)c1ncc(N)cc1OC1CC1 95723961 171137907 /nfs/dbraw/zinc/13/79/07/171137907.db2.gz AWPFZOHBMDQWAZ-UHFFFAOYSA-N 0 0 193.250 1.271 10 0 ADAERN CNc1ccc(N(C)C)cc1O 95724871 171137927 /nfs/dbraw/zinc/13/79/27/171137927.db2.gz ODCGBUMJJJMWBJ-UHFFFAOYSA-N 0 0 166.224 1.500 10 0 ADAERN NC(=O)c1cc(F)cc(OC2CC2)c1 95736774 171137933 /nfs/dbraw/zinc/13/79/33/171137933.db2.gz UPYGYZXAGZWPBI-UHFFFAOYSA-N 0 0 195.193 1.466 10 0 ADAERN CC(C)O[C@H]1CCC1=O 95725493 171137941 /nfs/dbraw/zinc/13/79/41/171137941.db2.gz IIYRCWHKGOQQGT-ZETCQYMHSA-N 0 0 128.171 1.143 10 0 ADAERN CNc1ccc(C(=O)N(C)C)cc1O 95723887 171137948 /nfs/dbraw/zinc/13/79/48/171137948.db2.gz PXTKXKLHELNWIU-UHFFFAOYSA-N 0 0 194.234 1.136 10 0 ADAERN NC(=O)c1ccc(OC2CC2)c(F)c1 95736855 171137979 /nfs/dbraw/zinc/13/79/79/171137979.db2.gz BWEZCNRCZVYFCJ-UHFFFAOYSA-N 0 0 195.193 1.466 10 0 ADAERN NC(=O)c1cc(OC2CC2)ccc1F 95736641 171137987 /nfs/dbraw/zinc/13/79/87/171137987.db2.gz AMPSUUMMNXPVKF-UHFFFAOYSA-N 0 0 195.193 1.466 10 0 ADAERN CC(C)O[C@@H]1CCC1=O 95725492 171138030 /nfs/dbraw/zinc/13/80/30/171138030.db2.gz IIYRCWHKGOQQGT-SSDOTTSWSA-N 0 0 128.171 1.143 10 0 ADAERN CN(C)c1cncc(N)c1OC1CC1 95724420 171138051 /nfs/dbraw/zinc/13/80/51/171138051.db2.gz CWWQXPHXDPIKIH-UHFFFAOYSA-N 0 0 193.250 1.271 10 0 ADAERN NC(=O)c1ccc(F)cc1OC1CC1 95736833 171138098 /nfs/dbraw/zinc/13/80/98/171138098.db2.gz RMVVSHZTUKXKIX-UHFFFAOYSA-N 0 0 195.193 1.466 10 0 ADAERN COc1ccc(O)cc1C(=O)N(C)C 95724670 171138100 /nfs/dbraw/zinc/13/81/00/171138100.db2.gz AVUGVIYDXCZXAN-UHFFFAOYSA-N 0 0 195.218 1.103 10 0 ADAERN Nc1ccc(F)c(OC2CC2)c1 95737256 171138106 /nfs/dbraw/zinc/13/81/06/171138106.db2.gz JOFSIPCLBQRETL-UHFFFAOYSA-N 0 0 167.183 1.949 10 0 ADAERN CC(C)=CCC1(O)COC1 95725549 171138157 /nfs/dbraw/zinc/13/81/57/171138157.db2.gz GCHQRMNBYNUHKG-UHFFFAOYSA-N 0 0 142.198 1.104 10 0 ADAERN CNc1ccc(N)cc1OC1CC1 95728988 171138191 /nfs/dbraw/zinc/13/81/91/171138191.db2.gz HQDYMJLXPKUIRR-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN Nc1ccc(N)c(OC2CC2)c1 95737261 171138200 /nfs/dbraw/zinc/13/82/00/171138200.db2.gz QMUZFXANDNUBDD-UHFFFAOYSA-N 0 0 164.208 1.392 10 0 ADAERN CN(C)c1cncc(OC2CC2)c1F 95727830 171138213 /nfs/dbraw/zinc/13/82/13/171138213.db2.gz YDYJZGGRTJDWQV-UHFFFAOYSA-N 0 0 196.225 1.828 10 0 ADAERN Cc1ccnc(C=O)c1OC1CC1 95741801 171138408 /nfs/dbraw/zinc/13/84/08/171138408.db2.gz STWHJOMFJSCIAT-UHFFFAOYSA-N 0 0 177.203 1.744 10 0 ADAERN O=Cc1cccc(OC2CC2)c1C=O 95741532 171138450 /nfs/dbraw/zinc/13/84/50/171138450.db2.gz XMCIEBCILYZOHM-UHFFFAOYSA-N 0 0 190.198 1.853 10 0 ADAERN CCOC(=O)Cc1cc(Cl)ccn1 95760857 171138493 /nfs/dbraw/zinc/13/84/93/171138493.db2.gz GRUNSNXHDJLWJE-UHFFFAOYSA-N 0 0 199.637 1.841 10 0 in-vitro ADAERN COC(=O)c1c(C(C)(C)C)noc1N 95756273 171138625 /nfs/dbraw/zinc/13/86/25/171138625.db2.gz SKYQSWWRHSRHBJ-UHFFFAOYSA-N 0 0 198.222 1.341 10 0 ADAERN Nc1c(C=O)cccc1OC1CC1 95741538 171138656 /nfs/dbraw/zinc/13/86/56/171138656.db2.gz XECHPNXSZVUFDC-UHFFFAOYSA-N 0 0 177.203 1.623 10 0 ADAERN Clc1nc2c(s1)CCNC2 95774449 171138854 /nfs/dbraw/zinc/13/88/54/171138854.db2.gz VZRSEORKOUEXTN-UHFFFAOYSA-N 0 0 174.656 1.442 10 0 ADAERN CCOC(=O)Cc1cc(C)ncc1C 95768149 171138868 /nfs/dbraw/zinc/13/88/68/171138868.db2.gz NPULUGPUVNYAJO-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CCOC(=O)Cc1c(F)ccnc1C 95768601 171138872 /nfs/dbraw/zinc/13/88/72/171138872.db2.gz DICSIADTZRMZII-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CCOC(=O)Cc1cc(F)cc(C)n1 95768619 171138874 /nfs/dbraw/zinc/13/88/74/171138874.db2.gz LZWSNGZGAYEMOB-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN O=Cc1cccc(CC(F)(F)F)n1 95764088 171138879 /nfs/dbraw/zinc/13/88/79/171138879.db2.gz TYDRTBVGOPQXCS-UHFFFAOYSA-N 0 0 189.136 1.999 10 0 ADAERN O=c1ccc(F)c(Cl)[nH]1 95761962 171138885 /nfs/dbraw/zinc/13/88/85/171138885.db2.gz BGLKJELWPIVXIH-UHFFFAOYSA-N 0 0 147.536 1.580 10 0 ADAERN CCOC(=O)Cc1c(C)cncc1F 95768501 171138889 /nfs/dbraw/zinc/13/88/89/171138889.db2.gz AOJIGNSMBYPSMM-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CC(=O)Nc1cc(C(C)=O)cc(C)n1 95766509 171138893 /nfs/dbraw/zinc/13/88/93/171138893.db2.gz PPJOLWHSUDCVPQ-UHFFFAOYSA-N 0 0 192.218 1.551 10 0 ADAERN Fc1ccc(C2OCCO2)cn1 95762289 171138921 /nfs/dbraw/zinc/13/89/21/171138921.db2.gz QRPNHFFCUZNQRD-UHFFFAOYSA-N 0 0 169.155 1.266 10 0 ADAERN CC(=O)Nc1cc(F)cc(C(C)=O)n1 95766313 171138932 /nfs/dbraw/zinc/13/89/32/171138932.db2.gz BKNAHBGCJKONPL-UHFFFAOYSA-N 0 0 196.181 1.382 10 0 ADAERN CCOC(=O)Cc1cc(C)cnc1C 95768161 171138935 /nfs/dbraw/zinc/13/89/35/171138935.db2.gz TVPZSFMUPPQASR-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CC(=O)Nc1cc(C)nc(C(C)=O)c1 95766242 171138940 /nfs/dbraw/zinc/13/89/40/171138940.db2.gz ZDLFHLKFXQBYSZ-UHFFFAOYSA-N 0 0 192.218 1.551 10 0 ADAERN CCOC(=O)Cc1ccnc(C)c1C 95768142 171138947 /nfs/dbraw/zinc/13/89/47/171138947.db2.gz UBZFTMMDWNTEMA-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CC(=O)Nc1cc(C=O)cc(Cl)n1 95765694 171138968 /nfs/dbraw/zinc/13/89/68/171138968.db2.gz WOYUTIRMPUGLBW-UHFFFAOYSA-N 0 0 198.609 1.506 10 0 ADAERN CC(=O)Nc1cc(C)cc(C=O)c1 95764439 171138994 /nfs/dbraw/zinc/13/89/94/171138994.db2.gz PWZOIWXSHCTWBV-UHFFFAOYSA-N 0 0 177.203 1.766 10 0 ADAERN Clc1nc2c(o1)CCOC2 95762471 171139007 /nfs/dbraw/zinc/13/90/07/171139007.db2.gz NTHBIMNJRYPVFF-UHFFFAOYSA-N 0 0 159.572 1.401 10 0 ADAERN FC(F)(F)c1noc(Cl)n1 95774163 171139033 /nfs/dbraw/zinc/13/90/33/171139033.db2.gz NHPLHLSRIOVVPM-UHFFFAOYSA-N 0 0 172.493 1.742 10 0 ADAERN CCOC(=O)Cc1cc(C)c(C)cn1 95768180 171139036 /nfs/dbraw/zinc/13/90/36/171139036.db2.gz CBEVYHQHPWOJSS-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN Fc1cc(C2OCCO2)ccn1 95762288 171139042 /nfs/dbraw/zinc/13/90/42/171139042.db2.gz FKAHYEPZLHWFFG-UHFFFAOYSA-N 0 0 169.155 1.266 10 0 ADAERN CC(C)c1cnc(C=O)cn1 95762370 171139044 /nfs/dbraw/zinc/13/90/44/171139044.db2.gz AGFZAEWRAZIMEZ-UHFFFAOYSA-N 0 0 150.181 1.413 10 0 ADAERN FC(F)(F)c1nc(Cl)no1 95774168 171139046 /nfs/dbraw/zinc/13/90/46/171139046.db2.gz LGXSCWNGBYHPFL-UHFFFAOYSA-N 0 0 172.493 1.742 10 0 ADAERN CCOC(=O)Cc1cc(F)ccn1 95762389 171139051 /nfs/dbraw/zinc/13/90/51/171139051.db2.gz UDNDQWWKXOSPOC-UHFFFAOYSA-N 0 0 183.182 1.326 10 0 ADAERN CCOC(=O)Cc1cc(F)ncc1C 95768462 171139062 /nfs/dbraw/zinc/13/90/62/171139062.db2.gz OMGSBZYJMSSVAO-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CC(=O)Nc1cc(F)cc(C(C)=O)c1 95764511 171139068 /nfs/dbraw/zinc/13/90/68/171139068.db2.gz ATRVQUYKLZJPRW-UHFFFAOYSA-N 0 0 195.193 1.987 10 0 ADAERN CC(=O)Nc1cc(C)cc(C(C)=O)n1 95766384 171139078 /nfs/dbraw/zinc/13/90/78/171139078.db2.gz WHCAZSNTLDZQSL-UHFFFAOYSA-N 0 0 192.218 1.551 10 0 ADAERN CCOC(=O)Cc1cc(F)c(C)cn1 95768541 171139084 /nfs/dbraw/zinc/13/90/84/171139084.db2.gz HOEJVRMKASRUNW-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CCOC(=O)Cc1cc(C)cc(F)n1 95768653 171139096 /nfs/dbraw/zinc/13/90/96/171139096.db2.gz KUUSNZUABZEFCQ-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CC(=O)Nc1cc(Cl)cc(C=O)n1 95765577 171139098 /nfs/dbraw/zinc/13/90/98/171139098.db2.gz ZHERYFRMEFDDJV-UHFFFAOYSA-N 0 0 198.609 1.506 10 0 ADAERN CC(=O)Nc1cc(C)cc(C=O)n1 95764009 171139100 /nfs/dbraw/zinc/13/91/00/171139100.db2.gz XIZGNTLNMWYILE-UHFFFAOYSA-N 0 0 178.191 1.161 10 0 ADAERN CCOC(=O)Cc1c(C)cncc1C 95768167 171139108 /nfs/dbraw/zinc/13/91/08/171139108.db2.gz UOONLINGVXPGPZ-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN Brc1noc2c1COC2 95774234 171139112 /nfs/dbraw/zinc/13/91/12/171139112.db2.gz YVWLRTUQMKRINP-UHFFFAOYSA-N 0 0 189.996 1.467 10 0 ADAERN CC(=O)Nc1cc(C)nc(C=O)c1 95765496 171139115 /nfs/dbraw/zinc/13/91/15/171139115.db2.gz MVVLXMWXHGEKPX-UHFFFAOYSA-N 0 0 178.191 1.161 10 0 ADAERN CC(=O)Nc1cc(C=O)cc(C)n1 95765752 171139128 /nfs/dbraw/zinc/13/91/28/171139128.db2.gz LQXZHNOYCNTHAK-UHFFFAOYSA-N 0 0 178.191 1.161 10 0 ADAERN CC(=O)Nc1cc(F)nc(C(C)=O)c1 95766169 171139159 /nfs/dbraw/zinc/13/91/59/171139159.db2.gz GCHQFYBTBIFPAM-UHFFFAOYSA-N 0 0 196.181 1.382 10 0 ADAERN Oc1ccc(CC(F)(F)F)nc1 95774349 171139175 /nfs/dbraw/zinc/13/91/75/171139175.db2.gz ROTDKNSQHNOSCY-UHFFFAOYSA-N 0 0 177.125 1.892 10 0 ADAERN CC(=O)c1cc(C)cnc1C 95768155 171139179 /nfs/dbraw/zinc/13/91/79/171139179.db2.gz PBBXMEACWXXOIZ-UHFFFAOYSA-N 0 0 149.193 1.901 10 0 ADAERN CC(=O)Nc1cc(Cl)nc(C=O)c1 95765438 171139222 /nfs/dbraw/zinc/13/92/22/171139222.db2.gz CYICVMKUJJWEOJ-UHFFFAOYSA-N 0 0 198.609 1.506 10 0 ADAERN CC(=O)c1ccc(C2OCCO2)nc1 95762310 171139226 /nfs/dbraw/zinc/13/92/26/171139226.db2.gz JBEOMDOIBBZXBN-UHFFFAOYSA-N 0 0 193.202 1.330 10 0 ADAERN CCOC(=O)Cc1c(C)ccnc1C 95768217 171139232 /nfs/dbraw/zinc/13/92/32/171139232.db2.gz QXCPLJXEAXOVRX-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CCOC(=O)Cc1ccc(C)c(C)n1 95763552 171139245 /nfs/dbraw/zinc/13/92/45/171139245.db2.gz ASTHNFQCXMISRL-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN CC(=O)Nc1cc(O)cc(C(C)=O)c1 95764588 171139253 /nfs/dbraw/zinc/13/92/53/171139253.db2.gz GKLBSXPVSPUOTJ-UHFFFAOYSA-N 0 0 193.202 1.553 10 0 ADAERN CCOC(=O)Cc1cc(C)cc(C)n1 95768193 171139259 /nfs/dbraw/zinc/13/92/59/171139259.db2.gz FDYRWKGRZNFFME-UHFFFAOYSA-N 0 0 193.246 1.804 10 0 ADAERN O=C1C=CC(=O)C(Cl)N1 95761960 171139284 /nfs/dbraw/zinc/13/92/84/171139284.db2.gz OBYLKZGUWIKONV-UHFFFAOYSA-N 0 0 145.545 1.146 10 0 ADAERN CCOC(=O)Cc1c(C)ccnc1F 95768638 171139289 /nfs/dbraw/zinc/13/92/89/171139289.db2.gz ZKLDHWOBNJTKPJ-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CCOC(=O)Cc1ccc(C)c(F)n1 95768660 171139297 /nfs/dbraw/zinc/13/92/97/171139297.db2.gz GKCDDNVSGJBQCL-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CC(=O)c1ccc(C2OCCO2)cn1 95762296 171139299 /nfs/dbraw/zinc/13/92/99/171139299.db2.gz UXQJQELUKBZNBZ-UHFFFAOYSA-N 0 0 193.202 1.330 10 0 ADAERN CC(=O)Nc1cc(F)cc(C=O)c1 95764424 171139304 /nfs/dbraw/zinc/13/93/04/171139304.db2.gz AHWYTOFNJLNUEK-UHFFFAOYSA-N 0 0 181.166 1.597 10 0 ADAERN CCOC(=O)Cc1ccc(F)c(C)n1 95768615 171139314 /nfs/dbraw/zinc/13/93/14/171139314.db2.gz CSGBQCQAVBVDDV-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN CCOC(=O)Cc1ccnc(F)c1C 95768450 171139323 /nfs/dbraw/zinc/13/93/23/171139323.db2.gz RVBQUDSASLVNTB-UHFFFAOYSA-N 0 0 197.209 1.635 10 0 ADAERN Clc1nc2c(nc1Cl)CNC2 95764367 171139337 /nfs/dbraw/zinc/13/93/37/171139337.db2.gz FFULYPVQOSXCKN-UHFFFAOYSA-N 0 0 190.033 1.387 10 0 ADAERN CC(=O)Nc1cc(O)cc(C=O)c1 95764466 171139342 /nfs/dbraw/zinc/13/93/42/171139342.db2.gz LFWJHQHESQGRNL-UHFFFAOYSA-N 0 0 179.175 1.163 10 0 ADAERN NC(=O)c1nc2cc(Cl)ccc2[nH]1 59699341 171139874 /nfs/dbraw/zinc/13/98/74/171139874.db2.gz ZLNNJSSPVHXYLA-UHFFFAOYSA-N 0 0 195.609 1.315 10 0 ADAERN Oc1ccc(CCn2ccnc2)cc1 59363007 171139899 /nfs/dbraw/zinc/13/98/99/171139899.db2.gz GNEGQWVZASEYDC-UHFFFAOYSA-N 0 0 188.230 1.831 10 0 ADAERN CCO/C=C/c1cnc(Cl)nc1N 95828685 171139935 /nfs/dbraw/zinc/13/99/35/171139935.db2.gz PZGLKKDFPIMFAL-ONEGZZNKSA-N 0 0 199.641 1.719 10 0 ADAERN Oc1ccc(CCn2cncn2)cc1 59363022 171139975 /nfs/dbraw/zinc/13/99/75/171139975.db2.gz MWDMJNPTVJKNGD-UHFFFAOYSA-N 0 0 189.218 1.226 10 0 ADAERN Fc1ccc(C2OCCO2)nc1 59574518 171140025 /nfs/dbraw/zinc/14/00/25/171140025.db2.gz ASAMXALDDAICTI-UHFFFAOYSA-N 0 0 169.155 1.266 10 0 ADAERN Oc1ccc(CCn2cccn2)cc1 59363028 171140105 /nfs/dbraw/zinc/14/01/05/171140105.db2.gz OHDHUONEWKWMET-UHFFFAOYSA-N 0 0 188.230 1.831 10 0 ADAERN O=c1[nH]nccc1Cc1ccccc1 95935533 171140190 /nfs/dbraw/zinc/14/01/90/171140190.db2.gz GZVJKNAPQDHVHH-UHFFFAOYSA-N 0 0 186.214 1.361 10 0 ADAERN O=c1c(F)coc2ccccc12 95932755 171140201 /nfs/dbraw/zinc/14/02/01/171140201.db2.gz VREYPFPMFVULJP-UHFFFAOYSA-N 0 0 164.135 1.932 10 0 ADAERN O=C1C=Cc2nc3ccccc3n21 95923099 171140222 /nfs/dbraw/zinc/14/02/22/171140222.db2.gz UWQVWPZBJCDVQM-UHFFFAOYSA-N 0 0 170.171 1.703 10 0 ADAERN O=C1O[C@@H]2CCCCC[C@H]2O1 95932758 171140233 /nfs/dbraw/zinc/14/02/33/171140233.db2.gz YSSUBUNEGWFVMY-RNFRBKRXSA-N 0 0 156.181 1.855 10 0 ADAERN COc1ccc(OC(F)(F)F)nc1 95932455 171140235 /nfs/dbraw/zinc/14/02/35/171140235.db2.gz RKTBFANKXORLKP-UHFFFAOYSA-N 0 0 193.124 1.989 10 0 ADAERN O=C1NC(=O)C2(CCCCC2)S1 95931427 171140355 /nfs/dbraw/zinc/14/03/55/171140355.db2.gz XYTROSYDWHFIJB-UHFFFAOYSA-N 0 0 185.248 1.672 10 0 ADAERN NC(=O)c1cccc2c1CCC2 95932812 171140396 /nfs/dbraw/zinc/14/03/96/171140396.db2.gz HXZZHYZJJLFSKL-UHFFFAOYSA-N 0 0 161.204 1.274 10 0 ADAERN c1c2c(cc3c1OCO3)OC2 95935979 171140422 /nfs/dbraw/zinc/14/04/22/171140422.db2.gz AKFLYUGOENFUNM-UHFFFAOYSA-N 0 0 150.133 1.308 10 0 ADAERN CCCCc1cc(N)ccc1C(N)=O 95935519 171140503 /nfs/dbraw/zinc/14/05/03/171140503.db2.gz KSTHAHDZTSKLEA-UHFFFAOYSA-N 0 0 192.262 1.710 10 0 ADAERN c1c2c(c3c4c(noc14)CO3)O2 95931736 171140680 /nfs/dbraw/zinc/14/06/80/171140680.db2.gz LOTSNCCSUNBFLR-UHFFFAOYSA-N 0 0 161.116 1.826 10 0 ADAERN Clc1nc(Cl)c2c(n1)OCC2 95931443 171140710 /nfs/dbraw/zinc/14/07/10/171140710.db2.gz TWUSNFOMZCUMDN-UHFFFAOYSA-N 0 0 191.017 1.718 10 0 ADAERN CC(=O)Nc1cc2n[nH]nc2cc1C 95930787 171140717 /nfs/dbraw/zinc/14/07/17/171140717.db2.gz KOVZBGZIZPMQCO-UHFFFAOYSA-N 0 0 190.206 1.225 10 0 ADAERN COc1ccc2[nH]c3ccnn3c2c1 95921966 171140723 /nfs/dbraw/zinc/14/07/23/171140723.db2.gz MGISBSNOXDEXSE-UHFFFAOYSA-N 0 0 187.202 1.824 10 0 ADAERN O=Cc1ccccc1NC(=O)C1CC1 95932905 171140745 /nfs/dbraw/zinc/14/07/45/171140745.db2.gz DNLJGRZILVBUHO-UHFFFAOYSA-N 0 0 189.214 1.848 10 0 ADAERN OC/C=C\c1cc(F)ccc1F 96320144 171140866 /nfs/dbraw/zinc/14/08/66/171140866.db2.gz NOZCEBQQKKTOIV-UPHRSURJSA-N 0 0 170.158 1.970 10 0 ADAERN CCCc1ncccc1CO 60214830 171140884 /nfs/dbraw/zinc/14/08/84/171140884.db2.gz KHBUGHDLLGIYJO-UHFFFAOYSA-N 0 0 151.209 1.526 10 0 ADAERN O=Cc1ccccc1-c1ncon1 96102625 171140966 /nfs/dbraw/zinc/14/09/66/171140966.db2.gz QAODYUFNSYVXSB-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN OC/C=C\c1ccc(F)c(F)c1 96295703 171141116 /nfs/dbraw/zinc/14/11/16/171141116.db2.gz NIFZHNLTSQUKIE-UPHRSURJSA-N 0 0 170.158 1.970 10 0 ADAERN c1cnc2c(-c3ccncc3)cnn2c1 96308333 171141200 /nfs/dbraw/zinc/14/12/00/171141200.db2.gz CVFLKTWQRUQSFY-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN NC(=O)c1cscc1Cl 96190588 171141289 /nfs/dbraw/zinc/14/12/89/171141289.db2.gz BMWVMRNRAVINLB-UHFFFAOYSA-N 0 0 161.613 1.500 10 0 ADAERN CCN1C(=O)Cc2cc(Cl)cnc21 95937522 171141339 /nfs/dbraw/zinc/14/13/39/171141339.db2.gz GRKDARYMDUEVOH-UHFFFAOYSA-N 0 0 196.637 1.644 10 0 ADAERN CN1C(=O)CC[C@H]1OC(C)(C)C 96675492 171142124 /nfs/dbraw/zinc/14/21/24/171142124.db2.gz ZEGLTSOKHCAHJT-MRVPVSSYSA-N 0 0 171.240 1.380 10 0 ADAERN NCC(F)(F)[C@@H]1CCCC(=O)C1 98095902 171142311 /nfs/dbraw/zinc/14/23/11/171142311.db2.gz HNOZIFYUDVPWIH-ZCFIWIBFSA-N 0 0 177.194 1.340 10 0 ADAERN Cn1nccc1C(=S)NCC1CC1 97694398 171142528 /nfs/dbraw/zinc/14/25/28/171142528.db2.gz QIJVNAZPWSNOND-UHFFFAOYSA-N 0 0 195.291 1.095 10 0 ADAERN CC/C=C/C(=S)OC 98090265 171142565 /nfs/dbraw/zinc/14/25/65/171142565.db2.gz SLUHNXWATOBIQM-SNAWJCMRSA-N 0 0 130.212 1.926 10 0 ADAERN Cc1ccc2[nH]c(=O)c(N)c(O)c2c1 143009836 171142654 /nfs/dbraw/zinc/14/26/54/171142654.db2.gz ZNSXUUJADIHWOJ-UHFFFAOYSA-N 0 0 190.202 1.124 10 0 ADAERN NCC(F)(F)[C@H]1CCCC(=O)C1 98095901 171142758 /nfs/dbraw/zinc/14/27/58/171142758.db2.gz HNOZIFYUDVPWIH-LURJTMIESA-N 0 0 177.194 1.340 10 0 ADAERN C/C=C/CC(=N)OC 100002536 171143053 /nfs/dbraw/zinc/14/30/53/171143053.db2.gz PGWDVNPBWDBEND-PKKPSLABSA-N 0 0 113.160 1.576 10 0 ADAERN CCOC(=O)Cc1cc(O)ccc1F 98203793 171143158 /nfs/dbraw/zinc/14/31/58/171143158.db2.gz JVFVOPIGUOHOAP-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN [O-][n+]1cc(Cl)cc2cc[nH]c21 100101488 171143662 /nfs/dbraw/zinc/14/36/62/171143662.db2.gz PHHWDHWGKYFFJW-UHFFFAOYSA-N 0 0 168.583 1.455 10 0 ADAERN Cc1ccccc1-c1cc(=O)[nH][nH]1 100127702 171143770 /nfs/dbraw/zinc/14/37/70/171143770.db2.gz GUQCIRDOEMVGAX-UHFFFAOYSA-N 0 0 174.203 1.219 10 0 ADAERN Nc1nc[nH]c1-c1ccccn1 100134981 171143842 /nfs/dbraw/zinc/14/38/42/171143842.db2.gz ARKYIQNRWFUNCT-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Oc1ccc(O)c2c(O)ccc(O)c12 100074136 171143864 /nfs/dbraw/zinc/14/38/64/171143864.db2.gz OVALYCIUDYJCCC-UHFFFAOYSA-N 0 0 192.170 1.662 10 0 ADAERN O=C1C=Nc2ccccc2C1 100185764 171144004 /nfs/dbraw/zinc/14/40/04/171144004.db2.gz GRRBXRZINPHFGD-UHFFFAOYSA-N 0 0 145.161 1.514 10 0 ADAERN N=C1Cc2cccc(F)c2N1 100180098 171144039 /nfs/dbraw/zinc/14/40/39/171144039.db2.gz HXFUXUSGLMHPRE-UHFFFAOYSA-N 0 0 150.156 1.371 10 0 ADAERN c1c2oc3c1O[C@@H](CCC2)O3 100211695 171144058 /nfs/dbraw/zinc/14/40/58/171144058.db2.gz KIYURWAFXUALEV-SSDOTTSWSA-N 0 0 152.149 1.713 10 0 ADAERN C/C=C(/C)CC(C)=O 100216402 171144195 /nfs/dbraw/zinc/14/41/95/171144195.db2.gz NXWQWCMUNWCDGL-XQRVVYSFSA-N 0 0 112.172 1.932 10 0 ADAERN CC1(C)OCC[C@@H]2CC(=O)N21 100206949 171144384 /nfs/dbraw/zinc/14/43/84/171144384.db2.gz CLHFQOPRTPVOAB-ZCFIWIBFSA-N 0 0 155.197 1.226 10 0 ADAERN CCC/C=C/[C@@H](O)C(C)=O 100219190 171144414 /nfs/dbraw/zinc/14/44/14/171144414.db2.gz VTTZYPRKOAQYNE-HQZHTGGTSA-N 0 0 142.198 1.293 10 0 ADAERN CCC/C=C/[C@H](O)C(C)=O 100219187 171144416 /nfs/dbraw/zinc/14/44/16/171144416.db2.gz VTTZYPRKOAQYNE-GJIOHYHPSA-N 0 0 142.198 1.293 10 0 ADAERN CCCCc1c(C)[nH]oc1=O 100279131 171144665 /nfs/dbraw/zinc/14/46/65/171144665.db2.gz OWLGHUMFHAXKDE-UHFFFAOYSA-N 0 0 155.197 1.619 10 0 ADAERN O=c1o[nH]cc1-c1ccccn1 100279688 171144685 /nfs/dbraw/zinc/14/46/85/171144685.db2.gz RRLOYSUZXAGALT-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN [O-][n+]1cc(F)cc2cc(C3CC3)[nH]c21 100457086 171144863 /nfs/dbraw/zinc/14/48/63/171144863.db2.gz JJMIMWJKYZURQC-UHFFFAOYSA-N 0 0 192.193 1.818 10 0 ADAERN C[S@@](=O)CCOc1ccccc1N 40972092 171145020 /nfs/dbraw/zinc/14/50/20/171145020.db2.gz WAGHVEKVFIFSNF-ZDUSSCGKSA-N 0 0 199.275 1.026 10 0 ADAERN C[S@@](=O)CCOc1cccc(N)c1 40972078 171145022 /nfs/dbraw/zinc/14/50/22/171145022.db2.gz CCPHBPUFQVCWPR-ZDUSSCGKSA-N 0 0 199.275 1.026 10 0 ADAERN CCCN[C@@H](C(=O)OCC)C(C)C 41049524 171145297 /nfs/dbraw/zinc/14/52/97/171145297.db2.gz KKVDHNXZJUHLPE-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN CCC[NH2+][C@@H](C(=O)[O-])[C@H](C)CC 41050204 171145442 /nfs/dbraw/zinc/14/54/42/171145442.db2.gz ISHKRNXLVREQBA-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN C1CCCC1 100748005 171145480 /nfs/dbraw/zinc/14/54/80/171145480.db2.gz RDLUGQMEKLVLDV-UHFFFAOYSA-N 0 0 65.095 1.406 10 0 ADAERN CCC[NH2+][C@@H](C(=O)[O-])C(CC)CC 41049784 171145490 /nfs/dbraw/zinc/14/54/90/171145490.db2.gz OTVJDEIZHIZMJO-SECBINFHSA-N 0 0 187.283 1.875 10 0 ADAERN CC(C)(C)[C@@H](CO)NCC(F)(F)F 41051948 171145499 /nfs/dbraw/zinc/14/54/99/171145499.db2.gz UFNVOAIRIWFLJA-ZCFIWIBFSA-N 0 0 199.216 1.545 10 0 ADAERN CCC[NH2+][C@@H](C(=O)[O-])[C@@H](C)CC 41050202 171145535 /nfs/dbraw/zinc/14/55/35/171145535.db2.gz ISHKRNXLVREQBA-JGVFFNPUSA-N 0 0 173.256 1.485 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])C[C@@H]2CCC[C@@H]2C1 101311086 171145676 /nfs/dbraw/zinc/14/56/76/171145676.db2.gz GSBZRDSCOPXLJJ-JZYVYDRUSA-N 0 0 197.278 1.616 10 0 ADAERN [NH3+]C[C@@]1(CC(=O)[O-])C[C@@H]2CCC[C@@H]2C1 101311085 171145747 /nfs/dbraw/zinc/14/57/47/171145747.db2.gz GSBZRDSCOPXLJJ-DOFRTFSJSA-N 0 0 197.278 1.616 10 0 ADAERN [NH3+]C[C@]1(CC(=O)[O-])C[C@@H]2CC[C@@H]2C1 101311070 171145793 /nfs/dbraw/zinc/14/57/93/171145793.db2.gz NDDZVQRQVFTNSN-MBTKJCJQSA-N 0 0 183.251 1.226 10 0 ADAERN On1cnnc1Cc1ccccc1 101369801 171145794 /nfs/dbraw/zinc/14/57/94/171145794.db2.gz SJAPIRXUMQINFZ-UHFFFAOYSA-N 0 0 175.191 1.106 10 0 ADAERN COc1ccccc1[C@@H](C)CC(N)=O 41206209 171145902 /nfs/dbraw/zinc/14/59/02/171145902.db2.gz GVTDGDPFBIERIB-QMMMGPOBSA-N 0 0 193.246 1.674 10 0 ADAERN Cc1ccccc1OC[C@@H](C)C(N)=O 41206224 171146215 /nfs/dbraw/zinc/14/62/15/171146215.db2.gz BUJLDFWBTBGZLP-SECBINFHSA-N 0 0 193.246 1.495 10 0 ADAERN CCC[NH2+][C@@H](C(=O)[O-])c1cccs1 41672127 171146327 /nfs/dbraw/zinc/14/63/27/171146327.db2.gz SJSHZJMCNRTXHB-MRVPVSSYSA-N 0 0 199.275 1.873 10 0 ADAERN Cc1ccccc1OC[C@H](C)C(N)=O 41206225 171146670 /nfs/dbraw/zinc/14/66/70/171146670.db2.gz BUJLDFWBTBGZLP-VIFPVBQESA-N 0 0 193.246 1.495 10 0 ADAERN CCCCCCN[C@H](C)C(=O)OC 42223193 171147370 /nfs/dbraw/zinc/14/73/70/171147370.db2.gz JSZMNUNRBZQOIV-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN O=C1CC=C(C2CC2)O1 103628017 171147512 /nfs/dbraw/zinc/14/75/12/171147512.db2.gz SVXNPNOFWNMWTF-UHFFFAOYSA-N 0 0 124.139 1.863 10 0 ADAERN FC(F)(F)c1c[nH]cn1 103648153 171147570 /nfs/dbraw/zinc/14/75/70/171147570.db2.gz OATHURRGZFNOBF-VKHMYHEASA-N 0 0 136.076 1.030 10 0 ADAERN CC(C)(C)C(=O)N1CCCCC1=O 104833317 171147910 /nfs/dbraw/zinc/14/79/10/171147910.db2.gz HAFPHCHYPYXRQV-UHFFFAOYSA-N 0 0 183.251 1.572 10 0 ADAERN c1cc(C2=NCCS2)co1 104834033 171148005 /nfs/dbraw/zinc/14/80/05/171148005.db2.gz ONYHKYNTYOKKED-UHFFFAOYSA-N 0 0 153.206 1.773 10 0 ADAERN O=[N+]([O-])/C=C/c1cc[nH]c1 104618665 171148022 /nfs/dbraw/zinc/14/80/22/171148022.db2.gz NZWUDXWOUPEZMR-DUXPYHPUSA-N 0 0 138.126 1.262 10 0 ADAERN CCC/C=C1/CCC(=O)NC1=O 104833742 171148043 /nfs/dbraw/zinc/14/80/43/171148043.db2.gz KNDKEZZLUBSTLK-DAXSKMNVSA-N 0 0 167.208 1.150 10 0 ADAERN CC(=O)C[C@@]1(c2ccccc2)CO1 104834512 171148124 /nfs/dbraw/zinc/14/81/24/171148124.db2.gz LQFVMVNTGBEYEB-NSHDSACASA-N 0 0 176.215 1.891 10 0 ADAERN CC(=O)C[C@@]1(C)CCCO1 104832134 171148214 /nfs/dbraw/zinc/14/82/14/171148214.db2.gz ISCNWLZAMSCTTI-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN Fc1c(F)c(F)c2c(c1F)CNC2 104485526 171148221 /nfs/dbraw/zinc/14/82/21/171148221.db2.gz KYTBTBDYUZVBJP-UHFFFAOYSA-N 0 0 191.127 1.846 10 0 ADAERN N/C(=C/c1cnccn1)c1ccco1 104836491 171148319 /nfs/dbraw/zinc/14/83/19/171148319.db2.gz LAESWCDUICKBOL-RMKNXTFCSA-N 0 0 187.202 1.526 10 0 ADAERN NC(=S)N(Cc1ccco1)C1CC1 42693229 171148508 /nfs/dbraw/zinc/14/85/08/171148508.db2.gz MMZMMQMCLAUTFY-UHFFFAOYSA-N 0 0 196.275 1.488 10 0 ADAERN CC(=O)C[C@@H]1CCC[C@H](C)C1=O 104842301 171148543 /nfs/dbraw/zinc/14/85/43/171148543.db2.gz OZUXXDJXWDMYAU-CBAPKCEASA-N 0 0 168.236 1.971 10 0 ADAERN CC(=O)C[C@@H]1C[C@H](C)CCC1=O 104841048 171148570 /nfs/dbraw/zinc/14/85/70/171148570.db2.gz LBSUQMCLHDLMPD-APPZFPTMSA-N 0 0 168.236 1.971 10 0 ADAERN CC1(C)COC(=O)/C1=C/F 104844438 171148642 /nfs/dbraw/zinc/14/86/42/171148642.db2.gz UYOOPBKGHPUBRS-HYXAFXHYSA-N 0 0 144.145 1.423 10 0 ADAERN CC(=O)C[C@@H]1CCCC(=O)C1 104841784 171148648 /nfs/dbraw/zinc/14/86/48/171148648.db2.gz RJMIBGCTYAZHJV-QMMMGPOBSA-N 0 0 154.209 1.725 10 0 ADAERN CC/C=C1/CO[C@@H]2OCC[C@@H]12 104844985 171148663 /nfs/dbraw/zinc/14/86/63/171148663.db2.gz YLJIJODSNRNPKP-MTMYIVCTSA-N 0 0 154.209 1.716 10 0 ADAERN CC1(C)COC(c2ccoc2)=N1 104838723 171148671 /nfs/dbraw/zinc/14/86/71/171148671.db2.gz PRLUDXJHPCTJQI-UHFFFAOYSA-N 0 0 165.192 1.835 10 0 ADAERN CC(=O)C(=C(C)O)c1c(C)n[nH]c1C 105336445 171148677 /nfs/dbraw/zinc/14/86/77/171148677.db2.gz UOWQKHGEUBVIBL-UHFFFAOYSA-N 0 0 194.234 1.288 10 0 ADAERN CC/C=C1/CO[C@@H]2OCC[C@H]12 104844976 171148698 /nfs/dbraw/zinc/14/86/98/171148698.db2.gz YLJIJODSNRNPKP-IZEHPQQOSA-N 0 0 154.209 1.716 10 0 ADAERN CC(=O)C[C@@H]1C[C@@H](C)CCC1=O 104841052 171148709 /nfs/dbraw/zinc/14/87/09/171148709.db2.gz LBSUQMCLHDLMPD-CBAPKCEASA-N 0 0 168.236 1.971 10 0 ADAERN OC1(C2OCCCO2)CCCCC1 104843121 171148710 /nfs/dbraw/zinc/14/87/10/171148710.db2.gz LPOMNIXJPUGHFR-UHFFFAOYSA-N 0 0 186.251 1.445 10 0 ADAERN CC(=O)C(=C(C)O)c1cccnc1 105389920 171148733 /nfs/dbraw/zinc/14/87/33/171148733.db2.gz BMONMIPDFFGZIZ-UHFFFAOYSA-N 0 0 177.203 1.343 10 0 ADAERN CC/C=C1/CO[C@H]2OCC[C@@H]12 104844981 171148786 /nfs/dbraw/zinc/14/87/86/171148786.db2.gz YLJIJODSNRNPKP-LBGXYMLMSA-N 0 0 154.209 1.716 10 0 ADAERN C=CC(=O)N(CC(F)(F)F)C1CC1 42766744 171148798 /nfs/dbraw/zinc/14/87/98/171148798.db2.gz FKMALURXJQTXES-UHFFFAOYSA-N 0 0 193.168 1.726 10 0 ADAERN CO[C@@H]1OCCC1=C(C)C 104846106 171148815 /nfs/dbraw/zinc/14/88/15/171148815.db2.gz LMPJLNXYHGGFDJ-MRVPVSSYSA-N 0 0 142.198 1.716 10 0 ADAERN N#[N+]c1[n-]nc2ncccc12 105435695 171148840 /nfs/dbraw/zinc/14/88/40/171148840.db2.gz HBTFPYKQIAKVMH-UHFFFAOYSA-N 0 0 146.133 1.442 10 0 ADAERN CC/C=C1/CO[C@H]2OCC[C@H]12 104844971 171148881 /nfs/dbraw/zinc/14/88/81/171148881.db2.gz YLJIJODSNRNPKP-ALCBPQMDSA-N 0 0 154.209 1.716 10 0 ADAERN CC(=O)C(=C(C)O)c1ccccn1 105389915 171148904 /nfs/dbraw/zinc/14/89/04/171148904.db2.gz KWTALCQADQXMCN-UHFFFAOYSA-N 0 0 177.203 1.343 10 0 ADAERN CC(=O)C[C@@H]1CCC[C@@H](C)C1=O 104842294 171148917 /nfs/dbraw/zinc/14/89/17/171148917.db2.gz OZUXXDJXWDMYAU-APPZFPTMSA-N 0 0 168.236 1.971 10 0 ADAERN NC(=S)N(CC(F)(F)F)C1CC1 42767516 171148918 /nfs/dbraw/zinc/14/89/18/171148918.db2.gz CLVDJCDEYMNJQQ-UHFFFAOYSA-N 0 0 198.213 1.257 10 0 ADAERN On1ccnc1C1CCCC1 106353872 171149210 /nfs/dbraw/zinc/14/92/10/171149210.db2.gz WGDDVEPTZRKCAF-UHFFFAOYSA-N 0 0 152.197 1.778 10 0 ADAERN COc1ccc2c(c1)CC(=O)N2 106120397 171149213 /nfs/dbraw/zinc/14/92/13/171149213.db2.gz VGQANENTPNRXEB-UHFFFAOYSA-N 0 0 163.176 1.882 10 0 ADAERN Nc1nc[nH]c1-c1ccccc1F 105865611 171149262 /nfs/dbraw/zinc/14/92/62/171149262.db2.gz WMQYGULGOYVZKL-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Nc1nc[nH]c1-c1ccc(F)cc1 105865616 171149338 /nfs/dbraw/zinc/14/93/38/171149338.db2.gz VJDLQHUCZQJQAK-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Nc1nc[nH]c1-c1ccccc1 105864998 171149538 /nfs/dbraw/zinc/14/95/38/171149538.db2.gz ZHOLMVHXNYWOSH-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 ADAERN O=C1NC=CC1Br 107104132 171149772 /nfs/dbraw/zinc/14/97/72/171149772.db2.gz GYFFSLBYIIAISE-UHFFFAOYSA-N 0 0 161.986 1.483 10 0 ADAERN Nc1[nH]ccc1Br 107104301 171149805 /nfs/dbraw/zinc/14/98/05/171149805.db2.gz XYKWHABDWODJOV-UHFFFAOYSA-N 0 0 161.002 1.359 10 0 ADAERN Nc1ccc(N2CCCC2)[nH]1 107106404 171149831 /nfs/dbraw/zinc/14/98/31/171149831.db2.gz DWLUCDHWXLMHEF-UHFFFAOYSA-N 0 0 151.213 1.197 10 0 ADAERN O=C1CC=C(Br)N1 107104141 171149893 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ADAERN CCOC(=O)C[C@@H](O)[C@@H](C)CC 52248813 171162384 /nfs/dbraw/zinc/16/23/84/171162384.db2.gz CZXCSMLBDWISAK-JGVFFNPUSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)C[C@@H](O)[C@H](C)CC 52248812 171162484 /nfs/dbraw/zinc/16/24/84/171162484.db2.gz CZXCSMLBDWISAK-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)C[C@@H](O)C(C)(C)C 52248819 171162490 /nfs/dbraw/zinc/16/24/90/171162490.db2.gz QVXYZSSTMJIRPF-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)C[C@@H](O)C(CC)CC 52248824 171162564 /nfs/dbraw/zinc/16/25/64/171162564.db2.gz OYUYRJGWZUJVAE-SECBINFHSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)Cc1cccn1C 1714698 171162914 /nfs/dbraw/zinc/16/29/14/171162914.db2.gz OORBYQVSQSXKRG-UHFFFAOYSA-N 0 0 167.208 1.131 10 0 ADAERN C/C=C/CCC(=O)C[C@H](O)CCO 1532991 171163132 /nfs/dbraw/zinc/16/31/32/171163132.db2.gz SHHVNLZCXWAKNG-VMZHVLLKSA-N 0 0 186.251 1.045 10 0 ADAERN CCCCCCC(=O)N1CCOCC1 1733491 171163212 /nfs/dbraw/zinc/16/32/12/171163212.db2.gz DJYHDMRTVQGFHF-UHFFFAOYSA-N 0 0 199.294 1.816 10 0 ADAERN O=C(OC[C@@H](O)CF)c1ccccc1 2032350 171163392 /nfs/dbraw/zinc/16/33/92/171163392.db2.gz JGVDQMMPENFZTL-VIFPVBQESA-N 0 0 198.193 1.174 10 0 ADAERN COCC(=O)N1CC2(CCC2)C[C@H]1C 334864678 171163399 /nfs/dbraw/zinc/16/33/99/171163399.db2.gz GHTHSUCRRUQZLP-SECBINFHSA-N 0 0 197.278 1.424 10 0 ADAERN O=c1[nH]nc2c3ccccc3[nH]cc1-2 103648869 171163712 /nfs/dbraw/zinc/16/37/12/171163712.db2.gz CVLNYXYECGERCC-UHFFFAOYSA-N 0 0 185.186 1.356 10 0 ADAERN CC(=O)CSc1nc(C)c(C)o1 8334438 171163939 /nfs/dbraw/zinc/16/39/39/171163939.db2.gz HANXKAMDHIOAKE-UHFFFAOYSA-N 0 0 185.248 1.973 10 0 ADAERN c1c[nH]c(CN2CCCCC2)n1 104386281 171163942 /nfs/dbraw/zinc/16/39/42/171163942.db2.gz DYHAIHOIOHQLGH-UHFFFAOYSA-N 0 0 165.240 1.396 10 0 ADAERN CCCCc1cc(C(N)=O)c(N)s1 104423079 171164456 /nfs/dbraw/zinc/16/44/56/171164456.db2.gz QJNYQBCGEAENAG-UHFFFAOYSA-N 0 0 198.291 1.772 10 0 ADAERN C[C@H]1CCSC1=O 13821474 171164459 /nfs/dbraw/zinc/16/44/59/171164459.db2.gz QPMYQKYOEKLGIF-BYPYZUCNSA-N 0 0 116.185 1.286 10 0 ADAERN Cc1ccccc1OC[C@H](O)[C@@H](C)O 6071912 171164572 /nfs/dbraw/zinc/16/45/72/171164572.db2.gz IPOLRLFQPJCFET-ZJUUUORDSA-N 0 0 196.246 1.116 10 0 ADAERN Cc1ccccc1OC[C@H](O)[C@H](C)O 6071913 171164815 /nfs/dbraw/zinc/16/48/15/171164815.db2.gz IPOLRLFQPJCFET-UWVGGRQHSA-N 0 0 196.246 1.116 10 0 ADAERN CC[C@@H](C)C(=O)NCCCOC 5593215 171164846 /nfs/dbraw/zinc/16/48/46/171164846.db2.gz BCIBRHKRPLQDKR-MRVPVSSYSA-N 0 0 173.256 1.185 10 0 ADAERN CNc1ccc(F)c(C=O)c1 165653189 171164910 /nfs/dbraw/zinc/16/49/10/171164910.db2.gz ZXMGARZRYVOIMD-UHFFFAOYSA-N 0 0 153.156 1.680 10 0 ADAERN C/C=C\C(=O)N1CCCC1 106010611 171164977 /nfs/dbraw/zinc/16/49/77/171164977.db2.gz MMSZAOIJVLACFN-DJWKRKHSSA-N 0 0 139.198 1.185 10 0 ADAERN Cc1ccccc1OC[C@@H](O)[C@@H](C)O 6071919 171164987 /nfs/dbraw/zinc/16/49/87/171164987.db2.gz IPOLRLFQPJCFET-NXEZZACHSA-N 0 0 196.246 1.116 10 0 ADAERN CCOC(=O)C[C@@H](N)c1ccc(C)o1 6046833 171165027 /nfs/dbraw/zinc/16/50/27/171165027.db2.gz SLYQYMAMDCZFTA-MRVPVSSYSA-N 0 0 197.234 1.541 10 0 ADAERN CCCCOC(=O)CC[C@H](C)O 5821378 171165068 /nfs/dbraw/zinc/16/50/68/171165068.db2.gz PLFNUXAEBDNRIT-QMMMGPOBSA-N 0 0 174.240 1.491 10 0 ADAERN CCOC(=O)Cc1cc(C)cn1C 5855992 171165122 /nfs/dbraw/zinc/16/51/22/171165122.db2.gz PISHKRUMARWBKY-UHFFFAOYSA-N 0 0 181.235 1.439 10 0 ADAERN Cc1ccccc1OC[C@@H](O)[C@H](C)O 6071920 171165134 /nfs/dbraw/zinc/16/51/34/171165134.db2.gz IPOLRLFQPJCFET-VHSXEESVSA-N 0 0 196.246 1.116 10 0 ADAERN Cc1ccnc(F)c1C 168317145 171165313 /nfs/dbraw/zinc/16/53/13/171165313.db2.gz BKUGOAHXWPXXGI-UHFFFAOYSA-N 0 0 125.146 1.838 10 0 ADAERN CNc1ccc(C(=O)OC)c(C)c1 38329025 171165545 /nfs/dbraw/zinc/16/55/45/171165545.db2.gz BCQPKPNFYCHMKL-UHFFFAOYSA-N 0 0 179.219 1.823 10 0 ADAERN CC(C)N(C)C(=O)C[C@@H]1CCCO1 308221394 171165927 /nfs/dbraw/zinc/16/59/27/171165927.db2.gz CGFNJJCXRSAZTR-VIFPVBQESA-N 0 0 185.267 1.422 10 0 ADAERN CC(C)CC(=O)N(C)c1nncs1 335585587 171165932 /nfs/dbraw/zinc/16/59/32/171165932.db2.gz DBMWSQOTQOWVBI-UHFFFAOYSA-N 0 0 199.279 1.547 10 0 ADAERN CC[C@@H]1CCN(C(=O)CSC)C1 336323173 171165939 /nfs/dbraw/zinc/16/59/39/171165939.db2.gz QMIGBJVXOGOVJD-MRVPVSSYSA-N 0 0 187.308 1.608 10 0 ADAERN C[Si](C)(C)[C@@]1(O)CCCC[C@H]1O 169950690 171165975 /nfs/dbraw/zinc/16/59/75/171165975.db2.gz JRLPOENERKAGHC-BDAKNGLRSA-N 0 0 188.343 1.530 10 0 ADAERN CC[C@@H](C)C(=O)N(C)c1nncs1 335587200 171166047 /nfs/dbraw/zinc/16/60/47/171166047.db2.gz HZXKOURUYBNTHA-ZCFIWIBFSA-N 0 0 199.279 1.547 10 0 ADAERN C[Si](C)(C)[C@@]1(O)CCCC[C@@H]1O 169950684 171166053 /nfs/dbraw/zinc/16/60/53/171166053.db2.gz JRLPOENERKAGHC-IUCAKERBSA-N 0 0 188.343 1.530 10 0 ADAERN Cc1ccc([Si](C)(C)C)nc1 169888487 171166244 /nfs/dbraw/zinc/16/62/44/171166244.db2.gz VPHLICUCTVMYLN-UHFFFAOYSA-N 0 0 165.312 1.935 10 0 ADAERN CC(C)(C)SCC[C@H]([NH3+])C(=O)[O-] 13537843 171166559 /nfs/dbraw/zinc/16/65/59/171166559.db2.gz RCRNXDJXXKPOTE-LURJTMIESA-N 0 0 191.296 1.320 10 0 ADAERN C[NH+](C)CCOc1cccnc1 13491703 171166680 /nfs/dbraw/zinc/16/66/80/171166680.db2.gz NNKLMOMWOOXRDH-UHFFFAOYSA-N 0 0 166.224 1.022 10 0 in-vivo ADAERN CO[C@@H](C(=O)N1CC(C)C1)C(C)C 308376111 171166800 /nfs/dbraw/zinc/16/68/00/171166800.db2.gz SFDSAPVZNAUYNI-SECBINFHSA-N 0 0 185.267 1.136 10 0 ADAERN S=c1[nH]cncc1Br 40546650 171166892 /nfs/dbraw/zinc/16/68/92/171166892.db2.gz POUIKNLENACUHO-UHFFFAOYSA-N 0 0 191.053 1.528 10 0 ADAERN c1c2c(cc3[nH]nnc13)CCCC2 40538884 171166941 /nfs/dbraw/zinc/16/69/41/171166941.db2.gz HZGAUJKKHSMTCO-UHFFFAOYSA-N 0 0 173.219 1.837 10 0 ADAERN c1cncc(OCC[NH+]2CCCC2)c1 13589051 171167042 /nfs/dbraw/zinc/16/70/42/171167042.db2.gz SOMFWHZONIFICL-UHFFFAOYSA-N 0 0 192.262 1.556 10 0 ADAERN c1c2c(cc3n[nH]nc13)OCCCO2 40538893 171167112 /nfs/dbraw/zinc/16/71/12/171167112.db2.gz BBGMRTDHMDFLFR-UHFFFAOYSA-N 0 0 191.190 1.119 10 0 ADAERN CC[C@@H](C)C(=O)N(C)[C@@H]1CCOC1 308291671 171167131 /nfs/dbraw/zinc/16/71/31/171167131.db2.gz HMLLXULVANPDLE-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN COCC(=O)N(C)C1(C)CCCC1 308299609 171167150 /nfs/dbraw/zinc/16/71/50/171167150.db2.gz JULSDBKTOLMGJO-UHFFFAOYSA-N 0 0 185.267 1.424 10 0 ADAERN CC(C)C(=O)N(C)Cc1cc[nH]n1 308273245 171167153 /nfs/dbraw/zinc/16/71/53/171167153.db2.gz TVSKBVOGGSWOEA-UHFFFAOYSA-N 0 0 181.239 1.024 10 0 ADAERN COC(=O)[C@@H]1CCC[C@H](F)C1 107265825 171167346 /nfs/dbraw/zinc/16/73/46/171167346.db2.gz CYCGVQZSMSLSFS-RQJHMYQMSA-N 0 0 160.188 1.688 10 0 ADAERN COC(=O)[C@H]1CCC[C@@H](F)C1 107265834 171167347 /nfs/dbraw/zinc/16/73/47/171167347.db2.gz CYCGVQZSMSLSFS-NKWVEPMBSA-N 0 0 160.188 1.688 10 0 ADAERN COC(=O)[C@H]1CCC[C@H](F)C1 107265828 171167375 /nfs/dbraw/zinc/16/73/75/171167375.db2.gz CYCGVQZSMSLSFS-BQBZGAKWSA-N 0 0 160.188 1.688 10 0 ADAERN COC(=O)[C@@H]1CCC[C@@H](F)C1 107265832 171167482 /nfs/dbraw/zinc/16/74/82/171167482.db2.gz CYCGVQZSMSLSFS-RNFRBKRXSA-N 0 0 160.188 1.688 10 0 ADAERN Cc1ccnc(N2CCC23CCC3)n1 335199352 171167510 /nfs/dbraw/zinc/16/75/10/171167510.db2.gz IGRUTQSODZOTIV-UHFFFAOYSA-N 0 0 189.262 1.918 10 0 ADAERN CC/C=C/C/C=C\CO 14616381 171167518 /nfs/dbraw/zinc/16/75/18/171167518.db2.gz INXWZSVGTHMNEU-FDTUMDBZSA-N 0 0 126.199 1.891 10 0 endogenous,in-man ADAERN CC(C)C(=O)N1CC(CC(F)F)C1 335384135 171167564 /nfs/dbraw/zinc/16/75/64/171167564.db2.gz DYOHAPANMLONNK-UHFFFAOYSA-N 0 0 191.221 1.756 10 0 ADAERN CC1(C(N)=O)CN(C(=O)C2(C)CC2)C1 335540391 171167641 /nfs/dbraw/zinc/16/76/41/171167641.db2.gz ALSDEFMEIBZBBR-UHFFFAOYSA-N 0 0 196.250 1.170 10 0 ADAERN NC(=S)CCOc1ccccc1F 19435122 171168034 /nfs/dbraw/zinc/16/80/34/171168034.db2.gz BDOHFWWSHGSMNF-UHFFFAOYSA-N 0 0 199.250 1.881 10 0 ADAERN NC(=S)CCCOCc1ccco1 19438325 171168066 /nfs/dbraw/zinc/16/80/66/171168066.db2.gz JXLWENKCGRTBKQ-UHFFFAOYSA-N 0 0 199.275 1.863 10 0 ADAERN NC(=S)CCOc1ccc(F)cc1 19504709 171168126 /nfs/dbraw/zinc/16/81/26/171168126.db2.gz ARZIZFCILXNHEI-UHFFFAOYSA-N 0 0 199.250 1.881 10 0 ADAERN COC1(C(=O)N[C@@H]2CC2(C)C)CCC1 335733551 171168140 /nfs/dbraw/zinc/16/81/40/171168140.db2.gz ZHBVZSVDNARIJS-MRVPVSSYSA-N 0 0 197.278 1.470 10 0 ADAERN NC(=S)CCOc1cccc(F)c1 19503576 171168160 /nfs/dbraw/zinc/16/81/60/171168160.db2.gz QANLTIMHQDSFKJ-UHFFFAOYSA-N 0 0 199.250 1.881 10 0 ADAERN C[C@H]1CC[C@@H](C(C)(C)O)CC1=O 82200825 171168212 /nfs/dbraw/zinc/16/82/12/171168212.db2.gz WZUYMVXZZRCRMY-JGVFFNPUSA-N 0 0 170.252 1.763 10 0 ADAERN NC(=S)CCOCC(F)(F)F 19476121 171168274 /nfs/dbraw/zinc/16/82/74/171168274.db2.gz WHHIUIOWOKGMMN-UHFFFAOYSA-N 0 0 187.186 1.242 10 0 ADAERN NC(=S)CCOCc1ccco1 19434266 171168335 /nfs/dbraw/zinc/16/83/35/171168335.db2.gz ATRSQFKZFJXGFM-UHFFFAOYSA-N 0 0 185.248 1.472 10 0 ADAERN c1c2c(nn1C1CCCCC1)CNC2 82389231 171168779 /nfs/dbraw/zinc/16/87/79/171168779.db2.gz LZQSISQZVUIHJX-UHFFFAOYSA-N 0 0 191.278 1.992 10 0 ADAERN CC(C)c1ccccc1[C@@H]([NH3+])C(=O)[O-] 82388204 171168856 /nfs/dbraw/zinc/16/88/56/171168856.db2.gz XRTLILVFDFHHSW-SNVBAGLBSA-N 0 0 193.246 1.894 10 0 ADAERN O=C([O-])C1(C2CC[NH2+]CC2)CCCC1 82384973 171168913 /nfs/dbraw/zinc/16/89/13/171168913.db2.gz VWPZQMYNFOVTSA-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN COC(=O)c1c(C)cc(C)c(N)c1O 82386704 171169089 /nfs/dbraw/zinc/16/90/89/171169089.db2.gz LAOJYOOVRJXNMR-UHFFFAOYSA-N 0 0 195.218 1.378 10 0 ADAERN Brc1cc2c(o1)C[NH2+]C2 82391527 171169275 /nfs/dbraw/zinc/16/92/75/171169275.db2.gz SAWWPYSWDCFPHK-UHFFFAOYSA-N 0 0 188.024 1.645 10 0 ADAERN FC(F)(F)c1ncc2c(n1)NCC2 82391138 171169282 /nfs/dbraw/zinc/16/92/82/171169282.db2.gz HRLWTZOUMFWDIH-UHFFFAOYSA-N 0 0 189.140 1.463 10 0 ADAERN CN1CCCC(=O)c2cccc(N)c21 82390362 171169361 /nfs/dbraw/zinc/16/93/61/171169361.db2.gz BNFKWLCSMGFRFC-UHFFFAOYSA-N 0 0 190.246 1.682 10 0 ADAERN Cc1ccccc1-n1[nH]c(N)cc1=O 82390972 171169375 /nfs/dbraw/zinc/16/93/75/171169375.db2.gz NVFQSJSNIYBHPW-UHFFFAOYSA-N 0 0 189.218 1.004 10 0 ADAERN C[N@@H+]1CCCCC[C@H]1CCC(=O)[O-] 82392620 171169406 /nfs/dbraw/zinc/16/94/06/171169406.db2.gz QZHILYWRUKEBPC-VIFPVBQESA-N 0 0 185.267 1.726 10 0 ADAERN CN(C)c1nc2nccc(C=O)c2o1 82389785 171169412 /nfs/dbraw/zinc/16/94/12/171169412.db2.gz MDPUPGVBFZFMDX-UHFFFAOYSA-N 0 0 191.190 1.101 10 0 ADAERN COc1ccc2c(C)noc2c1C=O 82389801 171169423 /nfs/dbraw/zinc/16/94/23/171169423.db2.gz OHDGONZJRTZBPQ-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN O=C1CCS[C@]2(CCSC2)C1 82391168 171169455 /nfs/dbraw/zinc/16/94/55/171169455.db2.gz DXVAFLZYXZUXMU-MRVPVSSYSA-N 0 0 188.317 1.958 10 0 ADAERN C[N@@H+]1CCCCC[C@@H]1CCC(=O)[O-] 82392619 171169566 /nfs/dbraw/zinc/16/95/66/171169566.db2.gz QZHILYWRUKEBPC-SECBINFHSA-N 0 0 185.267 1.726 10 0 ADAERN CN1CCC(=O)[C@@H]1Cc1ccccc1 82390854 171169609 /nfs/dbraw/zinc/16/96/09/171169609.db2.gz MXDSARDEIJNOMC-NSHDSACASA-N 0 0 189.258 1.502 10 0 ADAERN O=C1CCSC2(CCOCC2)C1 82392064 171169637 /nfs/dbraw/zinc/16/96/37/171169637.db2.gz AGKFJXXLXZMKBM-UHFFFAOYSA-N 0 0 186.276 1.632 10 0 ADAERN CN1CCCC(=O)c2cc(N)ccc21 82390360 171169730 /nfs/dbraw/zinc/16/97/30/171169730.db2.gz SXPJBANOTNOYHQ-UHFFFAOYSA-N 0 0 190.246 1.682 10 0 ADAERN O=C1CCS[C@@]2(CCSC2)C1 82391167 171169759 /nfs/dbraw/zinc/16/97/59/171169759.db2.gz DXVAFLZYXZUXMU-QMMMGPOBSA-N 0 0 188.317 1.958 10 0 ADAERN Cn1nccc1C[NH2+]Cc1ccc[nH]1 20351258 171169774 /nfs/dbraw/zinc/16/97/74/171169774.db2.gz ODUPILBBDCNBJE-UHFFFAOYSA-N 0 0 190.250 1.038 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1ccncn1 336334903 171170009 /nfs/dbraw/zinc/17/00/09/171170009.db2.gz IBYZZDRVEZVQBH-MRVPVSSYSA-N 0 0 191.234 1.005 10 0 ADAERN COC1(C(=O)N2C[C@@H](C)[C@@H]2C)CCC1 336164823 171170097 /nfs/dbraw/zinc/17/00/97/171170097.db2.gz JOTZKKXZSVJYIF-BDAKNGLRSA-N 0 0 197.278 1.422 10 0 ADAERN O=C([O-])c1scc2c1CC[NH2+]C2 82394109 171170119 /nfs/dbraw/zinc/17/01/19/171170119.db2.gz HQFPSWQPWFGXJS-UHFFFAOYSA-N 0 0 183.232 1.092 10 0 ADAERN O=C([O-])c1scc2c1C[NH2+]CC2 82394106 171170127 /nfs/dbraw/zinc/17/01/27/171170127.db2.gz HJKWIEYLCIRKNX-UHFFFAOYSA-N 0 0 183.232 1.092 10 0 ADAERN O=Cc1ccc(Cl)c2nonc12 82394734 171170382 /nfs/dbraw/zinc/17/03/82/171170382.db2.gz PEXZITJFPPUGTA-UHFFFAOYSA-N 0 0 182.566 1.689 10 0 ADAERN O=c1[n-]occ1[C@H]1CCCC[NH2+]1 82402098 171170736 /nfs/dbraw/zinc/17/07/36/171170736.db2.gz GNTULBRFDZLVQB-SSDOTTSWSA-N 0 0 168.196 1.195 10 0 ADAERN COc1ccc(O)c2c1COC2=O 82396810 171170742 /nfs/dbraw/zinc/17/07/42/171170742.db2.gz VBVSGUYGUBBWFG-UHFFFAOYSA-N 0 0 180.159 1.071 10 0 ADAERN O=Cc1cccc2oc(=O)sc12 82396752 171170751 /nfs/dbraw/zinc/17/07/51/171170751.db2.gz NUDWFESHYIMSTM-UHFFFAOYSA-N 0 0 180.184 1.667 10 0 ADAERN c1c(C2CCC2)[nH]c2c1CC[NH2+]C2 82398594 171170786 /nfs/dbraw/zinc/17/07/86/171170786.db2.gz GWNFIRITWUWNSS-UHFFFAOYSA-N 0 0 176.263 1.928 10 0 ADAERN [NH3+]C1(c2nc3ccccc3[nH]2)CC1 82399684 171170809 /nfs/dbraw/zinc/17/08/09/171170809.db2.gz YQDAHPYDMDIVNT-UHFFFAOYSA-N 0 0 173.219 1.511 10 0 ADAERN O=c1o[nH]cc1[C@H]1CCCC[NH2+]1 82402100 171170839 /nfs/dbraw/zinc/17/08/39/171170839.db2.gz VURUAOUDMLDJCD-SSDOTTSWSA-N 0 0 168.196 1.195 10 0 ADAERN O=c1o[nH]cc1[C@@H]1CCCC[NH2+]1 82402099 171170870 /nfs/dbraw/zinc/17/08/70/171170870.db2.gz VURUAOUDMLDJCD-ZETCQYMHSA-N 0 0 168.196 1.195 10 0 ADAERN COc1ccc2c(C=O)noc2c1 82398554 171170926 /nfs/dbraw/zinc/17/09/26/171170926.db2.gz CWVNITHTJHOCIA-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN O=c1[n-]occ1[C@@H]1CCCC[NH2+]1 82402097 171170951 /nfs/dbraw/zinc/17/09/51/171170951.db2.gz GNTULBRFDZLVQB-ZETCQYMHSA-N 0 0 168.196 1.195 10 0 ADAERN O=[N+]([O-])n1cc2cc(Cl)ccc2n1 196435718 171171084 /nfs/dbraw/zinc/17/10/84/171171084.db2.gz CIUKMFOCPGNIOD-UHFFFAOYSA-N 0 0 197.581 1.730 10 0 ADAERN Nc1ccc(F)c(-n2cccn2)c1 82398455 171171113 /nfs/dbraw/zinc/17/11/13/171171113.db2.gz JMAVHNUUWVVBII-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN COc1ccc([Si](C)(C)C)nc1 196253840 171171184 /nfs/dbraw/zinc/17/11/84/171171184.db2.gz SBMIKLWDMYSMSH-UHFFFAOYSA-N 0 0 181.311 1.635 10 0 ADAERN C[Si](C)(C)Cc1cnccn1 196210092 171171188 /nfs/dbraw/zinc/17/11/88/171171188.db2.gz GRTWRTLCJXOMSO-UHFFFAOYSA-N 0 0 166.300 1.897 10 0 ADAERN Cc1ccc2[nH]c(C)c(C=O)c2n1 82399437 171171199 /nfs/dbraw/zinc/17/11/99/171171199.db2.gz LIXLBBYOMLAKCW-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN CO[C@@H]1OCC(=O)c2ccccc21 196461077 171171216 /nfs/dbraw/zinc/17/12/16/171171216.db2.gz DTMSAHHURJRQKS-SNVBAGLBSA-N 0 0 178.187 1.545 10 0 ADAERN O=Cc1cccc2c1OCOC2 82404411 171171398 /nfs/dbraw/zinc/17/13/98/171171398.db2.gz BFVDDYWKRCCUPZ-UHFFFAOYSA-N 0 0 164.160 1.366 10 0 ADAERN COc1ccc2[nH]cc(N)c2c1 82404871 171171587 /nfs/dbraw/zinc/17/15/87/171171587.db2.gz MDTGYCYKBSJNGJ-UHFFFAOYSA-N 0 0 162.192 1.759 10 0 ADAERN Nc1c(C=O)ccc2ccoc12 82405217 171171664 /nfs/dbraw/zinc/17/16/64/171171664.db2.gz ARXAMFZWDRIJJY-UHFFFAOYSA-N 0 0 161.160 1.828 10 0 ADAERN c1cnc2[nH]c3c(c2c1)NCC3 82405524 171171681 /nfs/dbraw/zinc/17/16/81/171171681.db2.gz VIABEFLLMZYJBX-UHFFFAOYSA-N 0 0 159.192 1.531 10 0 ADAERN Cc1ccc2[nH]c(C)c(N)c2n1 82405044 171171720 /nfs/dbraw/zinc/17/17/20/171171720.db2.gz LAYBZQTVHKTERN-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN Nc1ccc(Cl)c(C=O)c1 82406495 171171779 /nfs/dbraw/zinc/17/17/79/171171779.db2.gz VFMNMBPTALFANA-UHFFFAOYSA-N 0 0 155.584 1.735 10 0 ADAERN CC(C)c1cn(C)c(C=O)n1 82407679 171171812 /nfs/dbraw/zinc/17/18/12/171171812.db2.gz XLSWJVYELDMDAA-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN COc1ccc2c(N)c[nH]c2c1 82404872 171171814 /nfs/dbraw/zinc/17/18/14/171171814.db2.gz QMFHNWWINLAZNC-UHFFFAOYSA-N 0 0 162.192 1.759 10 0 ADAERN Nc1c(C=O)ccc2occc12 82405216 171171871 /nfs/dbraw/zinc/17/18/71/171171871.db2.gz OQSMSPMQHITLIQ-UHFFFAOYSA-N 0 0 161.160 1.828 10 0 ADAERN O=c1cc(-c2cc[nH]c2)[n-][nH]1 82522377 171172211 /nfs/dbraw/zinc/17/22/11/171172211.db2.gz UAZNHNWIQYNEKV-UHFFFAOYSA-N 0 0 149.153 1.110 10 0 ADAERN COCC(N)=NC(=O)OC(C)(C)C 82530084 171172242 /nfs/dbraw/zinc/17/22/42/171172242.db2.gz QZPHFWXKSRXJNI-UHFFFAOYSA-N 0 0 188.227 1.135 10 0 ADAERN O=C1CCSC2(CC2)C1 82409631 171172372 /nfs/dbraw/zinc/17/23/72/171172372.db2.gz OIWCNBLBPOSXEP-UHFFFAOYSA-N 0 0 142.223 1.615 10 0 ADAERN CCNc1ccc(C(C)=O)cc1N 82529503 171172486 /nfs/dbraw/zinc/17/24/86/171172486.db2.gz OSUXGQDZMLGPEY-UHFFFAOYSA-N 0 0 178.235 1.903 10 0 ADAERN CN(C)c1ncc(N)cc1Cl 82529233 171172534 /nfs/dbraw/zinc/17/25/34/171172534.db2.gz JBNMDXMLCJBHLX-UHFFFAOYSA-N 0 0 171.631 1.383 10 0 ADAERN CC(C)(O)CCc1cc[nH]c1 82522467 171172541 /nfs/dbraw/zinc/17/25/41/171172541.db2.gz JZKDKPBOOHWNKB-UHFFFAOYSA-N 0 0 153.225 1.718 10 0 ADAERN CC(C)c1cnc(C=O)n1C 82407730 171172599 /nfs/dbraw/zinc/17/25/99/171172599.db2.gz AEXBQRXMSRRGKU-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN CC(C)C(=O)N(C(C)C)[C@H]1CCOC1 334397782 171172618 /nfs/dbraw/zinc/17/26/18/171172618.db2.gz WULPAQAJMMTXOP-JTQLQIEISA-N 0 0 199.294 1.668 10 0 ADAERN [NH3+]C1CCC(c2n[n-]c(=S)o2)CC1 82531285 171172838 /nfs/dbraw/zinc/17/28/38/171172838.db2.gz QXIMEFHQMLMOQX-UHFFFAOYSA-N 0 0 199.279 1.717 10 0 ADAERN COc1ccc(NN)c(C)c1C 82587637 171172958 /nfs/dbraw/zinc/17/29/58/171172958.db2.gz HDYKSYBYEWEPMP-UHFFFAOYSA-N 0 0 166.224 1.598 10 0 ADAERN CC1(C)OCC[C@@H]1NC(=O)CC1CC1 334497278 171172977 /nfs/dbraw/zinc/17/29/77/171172977.db2.gz BHJRLDIHKRNQHV-VIFPVBQESA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ccccc1[C@H](C)CC(N)=O 41199844 171173022 /nfs/dbraw/zinc/17/30/22/171173022.db2.gz HAHHMBNHCYKRPA-SECBINFHSA-N 0 0 177.247 1.974 10 0 ADAERN C[C@@H]1CC=C(C(=O)N(C)C)CC1 334509953 171173124 /nfs/dbraw/zinc/17/31/24/171173124.db2.gz GAMRZEGUYBNKHN-MRVPVSSYSA-N 0 0 167.252 1.821 10 0 ADAERN CCOC(=O)Cc1cc(C)cc(O)c1 201591243 171173250 /nfs/dbraw/zinc/17/32/50/171173250.db2.gz HSYHUXRMUOWCQG-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN C[Si](C)(C)c1ccc(CO)cc1 199580054 171173268 /nfs/dbraw/zinc/17/32/68/171173268.db2.gz ZZHORVNCQHVHTH-UHFFFAOYSA-N 0 0 180.323 1.724 10 0 ADAERN COc1ccc(NN)c(OC)c1C 82588035 171173329 /nfs/dbraw/zinc/17/33/29/171173329.db2.gz QOIXAGASPLAJAY-UHFFFAOYSA-N 0 0 182.223 1.298 10 0 ADAERN C[C@H]1CC=C(C(=O)N(C)C)CC1 334509958 171173370 /nfs/dbraw/zinc/17/33/70/171173370.db2.gz GAMRZEGUYBNKHN-QMMMGPOBSA-N 0 0 167.252 1.821 10 0 ADAERN NC(=O)c1oc2cc(F)ccc2c1N 200146547 171173407 /nfs/dbraw/zinc/17/34/07/171173407.db2.gz XNDNJLXAPCVKEN-UHFFFAOYSA-N 0 0 194.165 1.253 10 0 ADAERN COc1ccc(NCCO)c(C)c1C 82588898 171173574 /nfs/dbraw/zinc/17/35/74/171173574.db2.gz PVNWSOMVCVUOTN-UHFFFAOYSA-N 0 0 195.262 1.716 10 0 ADAERN CN1C(=O)CCOc2ccc(O)cc21 82588670 171173673 /nfs/dbraw/zinc/17/36/73/171173673.db2.gz PYXSNXPQGBTWFX-UHFFFAOYSA-N 0 0 193.202 1.138 10 0 ADAERN NC(=O)c1ccc(F)c2ccncc12 82769143 171174630 /nfs/dbraw/zinc/17/46/30/171174630.db2.gz SQPGPONICSLKJR-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN Nc1ccc(Cl)c(-n2cncn2)c1 82655767 171174634 /nfs/dbraw/zinc/17/46/34/171174634.db2.gz PTFIITCBLPJQED-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN COc1ccc(NC[C@@H](C)O)c(F)c1 82710933 171174651 /nfs/dbraw/zinc/17/46/51/171174651.db2.gz XRALGTMORSRRFV-SSDOTTSWSA-N 0 0 199.225 1.627 10 0 ADAERN NC(=O)c1ccc(F)c2cnccc12 82769151 171174658 /nfs/dbraw/zinc/17/46/58/171174658.db2.gz DTXCKCKFAPDHPH-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN O=C1N=NC(c2ccsc2)O1 38538390 171174763 /nfs/dbraw/zinc/17/47/63/171174763.db2.gz FCVKWBLJJMVYAY-UHFFFAOYSA-N 0 0 168.177 1.504 10 0 ADAERN O=C1N=NC(c2ccoc2)O1 38538387 171174764 /nfs/dbraw/zinc/17/47/64/171174764.db2.gz QONRBVCGRANUPS-UHFFFAOYSA-N 0 0 152.109 1.035 10 0 ADAERN NC(=O)c1cc(F)cc2cnccc12 82769149 171174789 /nfs/dbraw/zinc/17/47/89/171174789.db2.gz PAWTVQJIVCJWLV-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN NC(=O)c1nccc2cccc(F)c12 82769188 171174800 /nfs/dbraw/zinc/17/48/00/171174800.db2.gz NWGLUHLYNUSEEJ-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN Nc1ccc(Cl)c(-n2ccnn2)c1 82655770 171174811 /nfs/dbraw/zinc/17/48/11/171174811.db2.gz LWIOTUNVXOPDOB-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CCc1nncn1-c1cccc(N)c1 82655698 171174853 /nfs/dbraw/zinc/17/48/53/171174853.db2.gz IIAOKCCMGDXFHD-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN NC(=O)c1nccc2ccc(F)cc12 82769163 171174888 /nfs/dbraw/zinc/17/48/88/171174888.db2.gz YTNONVFXLVVWPD-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN COc1ccc(NC[C@H](C)O)c(F)c1 82710932 171174902 /nfs/dbraw/zinc/17/49/02/171174902.db2.gz XRALGTMORSRRFV-ZETCQYMHSA-N 0 0 199.225 1.627 10 0 ADAERN COc1ccc2[nH]c(N(C)C)nc2c1 82739838 171174961 /nfs/dbraw/zinc/17/49/61/171174961.db2.gz ZOXPQUKJSXDUTL-UHFFFAOYSA-N 0 0 191.234 1.638 10 0 ADAERN CCCc1nccc(C[NH2+]C)n1 54791162 171175031 /nfs/dbraw/zinc/17/50/31/171175031.db2.gz FRABRXMZVNSHME-UHFFFAOYSA-N 0 0 165.240 1.149 10 0 ADAERN CC(=O)Nc1ccc2ncncc2c1 205046090 171175039 /nfs/dbraw/zinc/17/50/39/171175039.db2.gz XYMNASZGRROPJS-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN NC(=O)c1cc(F)c2ncccc2c1 82769351 171175081 /nfs/dbraw/zinc/17/50/81/171175081.db2.gz JTFNITPKKACGPB-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN NC(=S)c1ccc2cnccc2c1 82769355 171175109 /nfs/dbraw/zinc/17/51/09/171175109.db2.gz ISVMCDQYUZNIEY-UHFFFAOYSA-N 0 0 188.255 1.869 10 0 ADAERN NC(=S)c1ccc2ccncc2c1 82769354 171175126 /nfs/dbraw/zinc/17/51/26/171175126.db2.gz QYWRGRMDETYNJX-UHFFFAOYSA-N 0 0 188.255 1.869 10 0 ADAERN COc1ccc2c(=O)[nH]ccc2c1O 82767317 171175131 /nfs/dbraw/zinc/17/51/31/171175131.db2.gz FCORCYSKCZMSQP-UHFFFAOYSA-N 0 0 191.186 1.242 10 0 ADAERN COc1ccc2c(C[NH3+])nccc2c1 82766559 171175136 /nfs/dbraw/zinc/17/51/36/171175136.db2.gz MCNSETCMAMTUCU-UHFFFAOYSA-N 0 0 188.230 1.702 10 0 ADAERN Nc1ccc2c(C(=O)[O-])nccc2c1 82766790 171175186 /nfs/dbraw/zinc/17/51/86/171175186.db2.gz DQTJKLBQPGGHJQ-UHFFFAOYSA-N 0 0 188.186 1.515 10 0 ADAERN Cc1ccccc1C(=O)n1ccnc1 49806045 171175438 /nfs/dbraw/zinc/17/54/38/171175438.db2.gz IWZWQYWYFAOUOZ-UHFFFAOYSA-N 0 0 186.214 1.880 10 0 ADAERN CC(C)C(=O)[C@H](N)C(F)(F)F 149152720 344062312 /nfs/dbraw/zinc/06/23/12/344062312.db2.gz GHFWAYIUBCIHCN-YFKPBYRVSA-N 0 0 169.146 1.101 10 0 ADAERN Oc1ccc(Cn2cnnc2)cc1 82868433 171176149 /nfs/dbraw/zinc/17/61/49/171176149.db2.gz YOEOSKUQRUMQCC-UHFFFAOYSA-N 0 0 175.191 1.032 10 0 ADAERN O=C([O-])Cc1c[nH]c2cc[nH+]cc12 82868835 171176179 /nfs/dbraw/zinc/17/61/79/171176179.db2.gz KXFDOESZSSQBSN-UHFFFAOYSA-N 0 0 176.175 1.190 10 0 ADAERN CC(C)c1ccccc1C(=O)CN 82869774 171176210 /nfs/dbraw/zinc/17/62/10/171176210.db2.gz ZKESKWNDYBCMMO-UHFFFAOYSA-N 0 0 177.247 1.951 10 0 ADAERN Oc1cccc([C@H]2COCCN2)c1 82871290 171176296 /nfs/dbraw/zinc/17/62/96/171176296.db2.gz YVEBKSBZUBRRIY-SNVBAGLBSA-N 0 0 179.219 1.053 10 0 ADAERN O=C([O-])C1([C@H]2CCC[NH2+]C2)CCC1 82875983 171176419 /nfs/dbraw/zinc/17/64/19/171176419.db2.gz PZCAWMBIHNCEFM-QMMMGPOBSA-N 0 0 183.251 1.241 10 0 ADAERN O=C([O-])C1([C@@H]2CCC[NH2+]C2)CCC1 82875986 171176755 /nfs/dbraw/zinc/17/67/55/171176755.db2.gz PZCAWMBIHNCEFM-MRVPVSSYSA-N 0 0 183.251 1.241 10 0 ADAERN CC/C=C/CNC(=O)N1CCC1 334695570 171176912 /nfs/dbraw/zinc/17/69/12/171176912.db2.gz BUCWIMIJGGBVEW-ONEGZZNKSA-N 0 0 168.240 1.368 10 0 ADAERN O=C([O-])C1([C@@H]2CCC[NH2+]C2)CCCC1 82910633 171176926 /nfs/dbraw/zinc/17/69/26/171176926.db2.gz IIJBXIPXDIUHCN-SECBINFHSA-N 0 0 197.278 1.631 10 0 ADAERN CCNc1ccc(C)cc1C(=O)NC 53000208 171176967 /nfs/dbraw/zinc/17/69/67/171176967.db2.gz XRBZDNSIVMLCQW-UHFFFAOYSA-N 0 0 192.262 1.786 10 0 ADAERN O=c1nc(-c2cccc(O)c2)cc[nH]1 82880048 171176979 /nfs/dbraw/zinc/17/69/79/171176979.db2.gz VSYNMSKVVWKWCN-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN NCC(=O)c1coc2ccc(O)cc12 82888991 171177108 /nfs/dbraw/zinc/17/71/08/171177108.db2.gz GSBUJPXDWLTXBL-UHFFFAOYSA-N 0 0 191.186 1.280 10 0 ADAERN O=c1cc(-c2ccccc2O)s[nH]1 82892291 171177116 /nfs/dbraw/zinc/17/71/16/171177116.db2.gz IHDQSUYYZHBXOE-UHFFFAOYSA-N 0 0 193.227 1.809 10 0 ADAERN CC1(C(=O)N2CCC23CCC3)COC1 334684519 171177184 /nfs/dbraw/zinc/17/71/84/171177184.db2.gz PXNUQKYBALRTEM-UHFFFAOYSA-N 0 0 195.262 1.178 10 0 ADAERN O=c1nc(-c2ccc(O)cc2)cc[nH]1 82880046 171177205 /nfs/dbraw/zinc/17/72/05/171177205.db2.gz RUCCPVIHOYKGTL-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN NC1(c2nc3cc(F)ccc3o2)CC1 82896241 171177249 /nfs/dbraw/zinc/17/72/49/171177249.db2.gz XEBFRDJOJWHBBG-UHFFFAOYSA-N 0 0 192.193 1.915 10 0 ADAERN O=C([O-])c1ccccc1[C@H]1CC[NH2+]C1 82889387 171177417 /nfs/dbraw/zinc/17/74/17/171177417.db2.gz LXGOTZLVNYRRSL-QMMMGPOBSA-N 0 0 191.230 1.462 10 0 ADAERN O=C([O-])c1ccccc1[C@@H]1CC[NH2+]C1 82889386 171177437 /nfs/dbraw/zinc/17/74/37/171177437.db2.gz LXGOTZLVNYRRSL-MRVPVSSYSA-N 0 0 191.230 1.462 10 0 ADAERN c1cc(CN2CCCO2)ccn1 306932058 171177607 /nfs/dbraw/zinc/17/76/07/171177607.db2.gz CIPLSSFYKWTYKO-UHFFFAOYSA-N 0 0 164.208 1.219 10 0 ADAERN F[C@@H]1CCCC[C@H]1NC1COC1 307112724 171177657 /nfs/dbraw/zinc/17/76/57/171177657.db2.gz QHGJZEWCNQLFDG-RKDXNWHRSA-N 0 0 173.231 1.256 10 0 ADAERN CC1(C)C[C@H]1NC(=O)C1CC=CC1 307018392 171177749 /nfs/dbraw/zinc/17/77/49/171177749.db2.gz QUOLZLUVYRVGMQ-SECBINFHSA-N 0 0 179.263 1.867 10 0 ADAERN NC(=O)c1scnc1C1CCCC1 307184206 171177812 /nfs/dbraw/zinc/17/78/12/171177812.db2.gz BAOHYKKXRQLPLI-UHFFFAOYSA-N 0 0 196.275 1.900 10 0 ADAERN c1c[nH]c(SCc2cnns2)n1 307212149 171177835 /nfs/dbraw/zinc/17/78/35/171177835.db2.gz VATSVCYWWIKGKR-UHFFFAOYSA-N 0 0 198.276 1.554 10 0 ADAERN c1cc(CN2CCCSCC2)n[nH]1 307155714 171177863 /nfs/dbraw/zinc/17/78/63/171177863.db2.gz VTVMDHPUSKIJKL-UHFFFAOYSA-N 0 0 197.307 1.349 10 0 ADAERN CNc1ccc(C)c(C(=O)OC)c1 306977861 171177869 /nfs/dbraw/zinc/17/78/69/171177869.db2.gz CSHZLNULUOWLOA-UHFFFAOYSA-N 0 0 179.219 1.823 10 0 ADAERN CNc1ccc(C(=O)N(C)C)s1 307131798 171177888 /nfs/dbraw/zinc/17/78/88/171177888.db2.gz LKSHZVHUBGUMLE-UHFFFAOYSA-N 0 0 184.264 1.492 10 0 ADAERN Cn1nccc1NC(=O)C1=CCC1 307212424 171177942 /nfs/dbraw/zinc/17/79/42/171177942.db2.gz VPYQQEXRMVFWIC-UHFFFAOYSA-N 0 0 177.207 1.079 10 0 ADAERN CC1(C)OCC[C@@H]1NC(=O)C1CC1 306953351 171177945 /nfs/dbraw/zinc/17/79/45/171177945.db2.gz MMQGDPBOKLWGOP-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN Fc1ccc(CN2CC(F)C2)cc1 307147045 171177963 /nfs/dbraw/zinc/17/79/63/171177963.db2.gz HQCDYRCGUVAYCD-UHFFFAOYSA-N 0 0 183.201 1.979 10 0 ADAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC1 307102783 171178085 /nfs/dbraw/zinc/17/80/85/171178085.db2.gz WFNYKWPIPPZCLC-IUCAKERBSA-N 0 0 183.251 1.034 10 0 ADAERN c1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)cn1 307186728 171178144 /nfs/dbraw/zinc/17/81/44/171178144.db2.gz VBDGOKHLCWWJNP-AYMMMOKOSA-N 0 0 175.235 1.687 10 0 ADAERN c1cncc(CN2CCCO2)c1 307002481 171178165 /nfs/dbraw/zinc/17/81/65/171178165.db2.gz CDTVYBQFECLDTP-UHFFFAOYSA-N 0 0 164.208 1.219 10 0 ADAERN CC1(C)COC[C@H]1Nc1ccccn1 307186251 171178206 /nfs/dbraw/zinc/17/82/06/171178206.db2.gz LRKZGUOPNTULNJ-SECBINFHSA-N 0 0 192.262 1.919 10 0 ADAERN CC1(C)COC[C@@H]1Nc1ccccn1 307186252 171178213 /nfs/dbraw/zinc/17/82/13/171178213.db2.gz LRKZGUOPNTULNJ-VIFPVBQESA-N 0 0 192.262 1.919 10 0 ADAERN Oc1cccc(CN2CC(F)C2)c1 306927827 171178231 /nfs/dbraw/zinc/17/82/31/171178231.db2.gz VYJMZDGZRYMRHM-UHFFFAOYSA-N 0 0 181.210 1.546 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)NC2CCC2)O1 307078456 171178248 /nfs/dbraw/zinc/17/82/48/171178248.db2.gz GUZUIBKLZLXTSA-CBAPKCEASA-N 0 0 183.251 1.223 10 0 ADAERN c1ccc(CN2CCCO2)nc1 307411432 171178508 /nfs/dbraw/zinc/17/85/08/171178508.db2.gz GCLITIDPSLQHGK-UHFFFAOYSA-N 0 0 164.208 1.219 10 0 ADAERN c1cc(CN2CCC23CCC3)no1 307206641 171178537 /nfs/dbraw/zinc/17/85/37/171178537.db2.gz LKMVEYQDKIPHOS-UHFFFAOYSA-N 0 0 178.235 1.803 10 0 ADAERN c1cc(CN2C[C@@H]3CCC[C@@H]32)n[nH]1 307267907 171178609 /nfs/dbraw/zinc/17/86/09/171178609.db2.gz FPNLXIPTNFDMRU-WPRPVWTQSA-N 0 0 177.251 1.394 10 0 ADAERN c1cc(C[N@@H+]2CCCSCC2)c[nH]1 307322463 171178723 /nfs/dbraw/zinc/17/87/23/171178723.db2.gz ZFFXPZMWENSQFD-UHFFFAOYSA-N 0 0 196.319 1.954 10 0 ADAERN c1cc(CN2C[C@H]3CCC[C@H]32)n[nH]1 307267904 171178891 /nfs/dbraw/zinc/17/88/91/171178891.db2.gz FPNLXIPTNFDMRU-PSASIEDQSA-N 0 0 177.251 1.394 10 0 ADAERN c1ccc(C2(NC3COC3)CC2)cc1 307262580 171179040 /nfs/dbraw/zinc/17/90/40/171179040.db2.gz SSFSIFWZDUVRKN-UHFFFAOYSA-N 0 0 189.258 1.664 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CC1 307259777 171179046 /nfs/dbraw/zinc/17/90/46/171179046.db2.gz RPEAGICYXRJEEF-APPZFPTMSA-N 0 0 183.251 1.032 10 0 ADAERN c1cc(CN2C[C@H]3CCC[C@@H]32)n[nH]1 307267905 171179137 /nfs/dbraw/zinc/17/91/37/171179137.db2.gz FPNLXIPTNFDMRU-SCZZXKLOSA-N 0 0 177.251 1.394 10 0 ADAERN CC(C)(O)CC(=O)N[C@@H]1CC1(C)C 307284773 171179203 /nfs/dbraw/zinc/17/92/03/171179203.db2.gz LLAFCQIAPNTBTF-SSDOTTSWSA-N 0 0 185.267 1.062 10 0 ADAERN c1cc(CN2C[C@@H]3CCC[C@H]32)n[nH]1 307267906 171179261 /nfs/dbraw/zinc/17/92/61/171179261.db2.gz FPNLXIPTNFDMRU-WCBMZHEXSA-N 0 0 177.251 1.394 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)N(C)C2CC2)O1 307289720 171179272 /nfs/dbraw/zinc/17/92/72/171179272.db2.gz HDCIFDNEMYIFMF-CBAPKCEASA-N 0 0 183.251 1.175 10 0 ADAERN CC1(C(=O)N2CCCCCO2)CC1 307667849 171179284 /nfs/dbraw/zinc/17/92/84/171179284.db2.gz PJSKNDVJEZAULC-UHFFFAOYSA-N 0 0 183.251 1.731 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1cc[nH]c1 307549007 171179292 /nfs/dbraw/zinc/17/92/92/171179292.db2.gz NAOIPIVKZZAYNK-MRVPVSSYSA-N 0 0 178.235 1.543 10 0 ADAERN COCC(=O)N1CCC(C)=C(C)C1 307674341 171179325 /nfs/dbraw/zinc/17/93/25/171179325.db2.gz DSUMIQPONGQHTQ-UHFFFAOYSA-N 0 0 183.251 1.202 10 0 ADAERN CN(C)C(=O)C(C)(C)C1CCC1 307609053 171179364 /nfs/dbraw/zinc/17/93/64/171179364.db2.gz HKACOBVXWJJUHK-UHFFFAOYSA-N 0 0 169.268 1.901 10 0 ADAERN COCC(=O)N1CCCC12CCC2 307689105 171179383 /nfs/dbraw/zinc/17/93/83/171179383.db2.gz GHLPVEWJCYVGLW-UHFFFAOYSA-N 0 0 183.251 1.178 10 0 ADAERN C/C=C(/C)c1nc(N(C)C)no1 307530604 171179415 /nfs/dbraw/zinc/17/94/15/171179415.db2.gz VVVMSTCDFJHLRD-WAYWQWQTSA-N 0 0 167.212 1.559 10 0 ADAERN CO[C@@H](C)C(=O)N[C@@H]1CC12CCCC2 307622230 171179425 /nfs/dbraw/zinc/17/94/25/171179425.db2.gz GRGMUYVGQIPDEI-DTWKUNHWSA-N 0 0 197.278 1.470 10 0 ADAERN Fc1ccc(CN2CCCO2)cc1 307553889 171179488 /nfs/dbraw/zinc/17/94/88/171179488.db2.gz RVIKXSMWBVNCII-UHFFFAOYSA-N 0 0 181.210 1.963 10 0 ADAERN CC(=O)Nc1cc(F)c(N)cc1C 211773607 171179492 /nfs/dbraw/zinc/17/94/92/171179492.db2.gz ATPIXNXCGWBOPI-UHFFFAOYSA-N 0 0 182.198 1.675 10 0 ADAERN COCC(=O)N1CC(C)=C[C@H](C)C1 307703759 171179508 /nfs/dbraw/zinc/17/95/08/171179508.db2.gz VXRGHPIEJHFURW-QMMMGPOBSA-N 0 0 183.251 1.057 10 0 ADAERN O=C1C=Nc2cc(F)ccc21 211871710 171179541 /nfs/dbraw/zinc/17/95/41/171179541.db2.gz HUTGBQOEFYFJIT-UHFFFAOYSA-N 0 0 149.124 1.724 10 0 ADAERN Oc1cccc2c1CC[C@@H]2[NH2+]CCF 307644419 171179554 /nfs/dbraw/zinc/17/95/54/171179554.db2.gz TYVWJHRACCBRJP-JTQLQIEISA-N 0 0 195.237 1.939 10 0 ADAERN CC(C)CC(=O)N1CCC[C@@H](O)[C@@H]1C 307613768 171179564 /nfs/dbraw/zinc/17/95/64/171179564.db2.gz MKYMGAHVXUQGIR-VHSXEESVSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)CC(=O)N1CCC[C@H](O)[C@@H]1C 307613767 171179596 /nfs/dbraw/zinc/17/95/96/171179596.db2.gz MKYMGAHVXUQGIR-UWVGGRQHSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)CC(=O)N1CCC[C@@H](O)[C@H]1C 307613766 171179598 /nfs/dbraw/zinc/17/95/98/171179598.db2.gz MKYMGAHVXUQGIR-NXEZZACHSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)CC(=O)N1CC(C)C1 307680115 171179669 /nfs/dbraw/zinc/17/96/69/171179669.db2.gz ODCNVMPFBBFRGR-UHFFFAOYSA-N 0 0 155.241 1.511 10 0 ADAERN CC(C)CC(=O)N1CCC[C@H](O)[C@H]1C 307613770 171179752 /nfs/dbraw/zinc/17/97/52/171179752.db2.gz MKYMGAHVXUQGIR-ZJUUUORDSA-N 0 0 199.294 1.404 10 0 ADAERN Cn1nccc1C[NH2+]C1CC(C)(C)C1 307569780 171179772 /nfs/dbraw/zinc/17/97/72/171179772.db2.gz WWIJWINKODRTAE-UHFFFAOYSA-N 0 0 193.294 1.698 10 0 ADAERN COCC(=O)N1CC(C)=C[C@@H](C)C1 307703758 171179829 /nfs/dbraw/zinc/17/98/29/171179829.db2.gz VXRGHPIEJHFURW-MRVPVSSYSA-N 0 0 183.251 1.057 10 0 ADAERN CCOC(=O)Cc1ccc(F)c(O)c1 211842371 171179852 /nfs/dbraw/zinc/17/98/52/171179852.db2.gz LPEFUOCOQTZITP-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN CC1(C)C[C@H]1NC(=O)NCCF 307538804 171179857 /nfs/dbraw/zinc/17/98/57/171179857.db2.gz KNHMPCZQFRWXIY-ZCFIWIBFSA-N 0 0 174.219 1.054 10 0 ADAERN CNc1ccc(C(=O)NC(C)C)s1 307687083 171179866 /nfs/dbraw/zinc/17/98/66/171179866.db2.gz DIMMTHRSXADPFV-UHFFFAOYSA-N 0 0 198.291 1.928 10 0 ADAERN Oc1cccc2c1CC[C@H]2[NH2+]CCF 307644420 171179868 /nfs/dbraw/zinc/17/98/68/171179868.db2.gz TYVWJHRACCBRJP-SNVBAGLBSA-N 0 0 195.237 1.939 10 0 ADAERN COC1(C(=O)N2CC(C)C2)CCC1 307705544 171179879 /nfs/dbraw/zinc/17/98/79/171179879.db2.gz YNVPQTOFVWAVPP-UHFFFAOYSA-N 0 0 183.251 1.034 10 0 ADAERN CNc1ccc(F)c(C(=O)OC)c1C 307510193 171179895 /nfs/dbraw/zinc/17/98/95/171179895.db2.gz CLBHOPUREAIMAI-UHFFFAOYSA-N 0 0 197.209 1.962 10 0 ADAERN CO[C@@H](C)C(=O)N[C@H]1CC12CCCC2 307622231 171179924 /nfs/dbraw/zinc/17/99/24/171179924.db2.gz GRGMUYVGQIPDEI-IUCAKERBSA-N 0 0 197.278 1.470 10 0 ADAERN c1cc(CN2CCCSCC2)no1 307718620 171180091 /nfs/dbraw/zinc/18/00/91/171180091.db2.gz LWECJUBNBHKQHL-UHFFFAOYSA-N 0 0 198.291 1.614 10 0 ADAERN CC[C@@H](C)C(=O)N1CC(C)C1 307729300 171180103 /nfs/dbraw/zinc/18/01/03/171180103.db2.gz FTSIKZYARMCUEA-MRVPVSSYSA-N 0 0 155.241 1.511 10 0 ADAERN NCC(=O)c1csc(Cl)c1 83272449 171180172 /nfs/dbraw/zinc/18/01/72/171180172.db2.gz PORXOQIUCVBHOW-UHFFFAOYSA-N 0 0 175.640 1.543 10 0 ADAERN CNc1ccc(N(C)C(C)=O)cc1 83255616 171180269 /nfs/dbraw/zinc/18/02/69/171180269.db2.gz QUAUIHDWZCPBSE-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN OC1(C2[C@H]3CCC[C@@H]23)CC1 20662205 171180289 /nfs/dbraw/zinc/18/02/89/171180289.db2.gz PJMFAGUHEZTLLB-DHBOJHSNSA-N 0 0 138.210 1.557 10 0 ADAERN c1[nH]nc2c1SCC2 83251418 171180321 /nfs/dbraw/zinc/18/03/21/171180321.db2.gz HJOQVLHOVNWGTA-UHFFFAOYSA-N 0 0 126.184 1.058 10 0 ADAERN Cc1c[nH]cc1C(=O)N[C@H]1C[C@@H]1C 307761276 171180351 /nfs/dbraw/zinc/18/03/51/171180351.db2.gz YSFUFHNLZZUTDG-RCOVLWMOSA-N 0 0 178.235 1.461 10 0 ADAERN Cc1c[nH]cc1C(=O)N[C@@H]1C[C@@H]1C 307761274 171180425 /nfs/dbraw/zinc/18/04/25/171180425.db2.gz YSFUFHNLZZUTDG-IMTBSYHQSA-N 0 0 178.235 1.461 10 0 ADAERN O=Cc1cccc(Oc2cn[nH]n2)c1 83277226 171180458 /nfs/dbraw/zinc/18/04/58/171180458.db2.gz ABYGWGWGSLMVEO-UHFFFAOYSA-N 0 0 189.174 1.410 10 0 ADAERN COC(=O)[C@@H]1CCCO[C@@H]1C(C)C 307726634 171180496 /nfs/dbraw/zinc/18/04/96/171180496.db2.gz CHURWRZGQBPHBU-RKDXNWHRSA-N 0 0 186.251 1.611 10 0 ADAERN COC(=O)c1c(C)oc(C)cc1=O 83274586 171180503 /nfs/dbraw/zinc/18/05/03/171180503.db2.gz KJTJMYANAGEANE-UHFFFAOYSA-N 0 0 182.175 1.043 10 0 ADAERN Cc1c[nH]cc1C(=O)N[C@H]1C[C@H]1C 307761275 171180577 /nfs/dbraw/zinc/18/05/77/171180577.db2.gz YSFUFHNLZZUTDG-MUWHJKNJSA-N 0 0 178.235 1.461 10 0 ADAERN Cc1c[nH]cc1C(=O)N[C@@H]1C[C@H]1C 307761262 171180591 /nfs/dbraw/zinc/18/05/91/171180591.db2.gz YSFUFHNLZZUTDG-HZGVNTEJSA-N 0 0 178.235 1.461 10 0 ADAERN NC1(c2nnc(-c3ccoc3)o2)CC1 83341609 171180777 /nfs/dbraw/zinc/18/07/77/171180777.db2.gz WCDDUFZPSHTWOP-UHFFFAOYSA-N 0 0 191.190 1.277 10 0 ADAERN NC(=S)C1SCCCS1 83340459 171180956 /nfs/dbraw/zinc/18/09/56/171180956.db2.gz HPHZCKQPMXOWSF-UHFFFAOYSA-N 0 0 179.335 1.469 10 0 ADAERN c1c[nH]c(CNc2cncnc2)c1 83340187 171180957 /nfs/dbraw/zinc/18/09/57/171180957.db2.gz WUMQUSJQEZVKSW-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN NC(=S)Cc1ccccc1O 83339882 171180971 /nfs/dbraw/zinc/18/09/71/171180971.db2.gz XPRISDJNWHRDQI-UHFFFAOYSA-N 0 0 167.233 1.221 10 0 ADAERN NC1(c2nnc(-c3cc[nH]c3)o2)CC1 83341544 171180973 /nfs/dbraw/zinc/18/09/73/171180973.db2.gz GWHPDFUDOLLCHR-UHFFFAOYSA-N 0 0 190.206 1.013 10 0 ADAERN c1c[nH]c(CNc2cnns2)c1 83340487 171181008 /nfs/dbraw/zinc/18/10/08/171181008.db2.gz YIYVDEBJTSYYKX-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN NC1(c2nnc(-c3ccco3)o2)CC1 83341608 171181018 /nfs/dbraw/zinc/18/10/18/171181018.db2.gz KDGOKGWDESTSMM-UHFFFAOYSA-N 0 0 191.190 1.277 10 0 ADAERN NC1(c2nnc(-c3ccc[nH]3)o2)CC1 83341540 171181035 /nfs/dbraw/zinc/18/10/35/171181035.db2.gz YJXDKXIIPUGWSH-UHFFFAOYSA-N 0 0 190.206 1.013 10 0 ADAERN NC(=S)c1ccc(F)cc1O 83340052 171181048 /nfs/dbraw/zinc/18/10/48/171181048.db2.gz XNCSCSVGUIAPNE-UHFFFAOYSA-N 0 0 171.196 1.166 10 0 ADAERN Oc1cccc(CNc2nc[nH]n2)c1 83341537 171181097 /nfs/dbraw/zinc/18/10/97/171181097.db2.gz LXHHGQBRTLRMPB-UHFFFAOYSA-N 0 0 190.206 1.122 10 0 ADAERN Oc1ccc(CNc2ccon2)cc1 83341518 171181099 /nfs/dbraw/zinc/18/10/99/171181099.db2.gz AJBFSAMDZJGEGF-UHFFFAOYSA-N 0 0 190.202 1.992 10 0 ADAERN COc1ccc(O)c(C(N)=S)c1 83340824 171181118 /nfs/dbraw/zinc/18/11/18/171181118.db2.gz AFOYDNQNJSWIGM-UHFFFAOYSA-N 0 0 183.232 1.035 10 0 ADAERN NC(=S)c1ccc(N2CCC2)o1 83340718 171181125 /nfs/dbraw/zinc/18/11/25/171181125.db2.gz HEFXNWFBIAFUCD-UHFFFAOYSA-N 0 0 182.248 1.124 10 0 ADAERN NC(=S)/C=C/c1ccc(O)cc1 83340416 171181131 /nfs/dbraw/zinc/18/11/31/171181131.db2.gz PQFKSRJQZUSSAF-ZZXKWVIFSA-N 0 0 179.244 1.692 10 0 ADAERN c1cnc(NCc2ccc[nH]2)nc1 83340188 171181195 /nfs/dbraw/zinc/18/11/95/171181195.db2.gz XPZMWSRSFPOLNJ-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN NC(=S)[C@@H]1Cc2ccccc2N1 83340350 171181197 /nfs/dbraw/zinc/18/11/97/171181197.db2.gz OPNVQYOMHXOORT-QMMMGPOBSA-N 0 0 178.260 1.309 10 0 ADAERN NC(=S)/C=C/c1cccc(O)c1 83340417 171181238 /nfs/dbraw/zinc/18/12/38/171181238.db2.gz CHWWUYCOROKKTJ-SNAWJCMRSA-N 0 0 179.244 1.692 10 0 ADAERN NC(=S)/C=C/c1ccncc1 83339773 171181242 /nfs/dbraw/zinc/18/12/42/171181242.db2.gz CQGFMNSNUBYLIU-OWOJBTEDSA-N 0 0 164.233 1.381 10 0 ADAERN NC(=S)[C@H](O)c1ccccc1F 83341019 171181251 /nfs/dbraw/zinc/18/12/51/171181251.db2.gz XJARQCRRIOCBEC-SSDOTTSWSA-N 0 0 185.223 1.145 10 0 ADAERN c1c[nH]c(CNc2nncs2)c1 83340488 171181260 /nfs/dbraw/zinc/18/12/60/171181260.db2.gz CVSWALLPOMOBKC-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN Oc1cccc(CNc2ccon2)c1 83341517 171181264 /nfs/dbraw/zinc/18/12/64/171181264.db2.gz JSOPVOOGTYILBH-UHFFFAOYSA-N 0 0 190.202 1.992 10 0 ADAERN Cc1ccccc1[C@@H](N)c1nnco1 83341446 171181366 /nfs/dbraw/zinc/18/13/66/171181366.db2.gz BFRKFTNZBCHBQA-SECBINFHSA-N 0 0 189.218 1.426 10 0 ADAERN c1ccc(CCNc2nc[nH]n2)cc1 83341368 171181510 /nfs/dbraw/zinc/18/15/10/171181510.db2.gz OXLBWWYKMRMILK-UHFFFAOYSA-N 0 0 188.234 1.459 10 0 ADAERN Cc1ccccc1[C@H](N)c1nnco1 83341445 171181656 /nfs/dbraw/zinc/18/16/56/171181656.db2.gz BFRKFTNZBCHBQA-VIFPVBQESA-N 0 0 189.218 1.426 10 0 ADAERN NC(=S)c1ccc(N2CCCC2)o1 83342577 171181660 /nfs/dbraw/zinc/18/16/60/171181660.db2.gz WPTLWONOKGNWKO-UHFFFAOYSA-N 0 0 196.275 1.514 10 0 ADAERN NC1(c2nnc(C3CCCC3)o2)CC1 83341963 171181689 /nfs/dbraw/zinc/18/16/89/171181689.db2.gz BIBQPIRUWROVDW-UHFFFAOYSA-N 0 0 193.250 1.675 10 0 ADAERN CC(C)(C)C(=O)C[C@H](N)C(F)(F)F 21997866 171181765 /nfs/dbraw/zinc/18/17/65/171181765.db2.gz RAWOHWRDIIOKTD-YFKPBYRVSA-N 0 0 197.200 1.881 10 0 ADAERN CC(C)(C)C(=O)C[C@@H](N)C(F)(F)F 21997861 171181767 /nfs/dbraw/zinc/18/17/67/171181767.db2.gz RAWOHWRDIIOKTD-RXMQYKEDSA-N 0 0 197.200 1.881 10 0 ADAERN c1cncc(CNc2cnns2)c1 83341777 171181802 /nfs/dbraw/zinc/18/18/02/171181802.db2.gz KSTQAXKTWCNHEA-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN NC(=S)Cc1c(F)cccc1F 83341275 171181951 /nfs/dbraw/zinc/18/19/51/171181951.db2.gz PQBITUWAUPZJKA-UHFFFAOYSA-N 0 0 187.214 1.793 10 0 ADAERN CC(=O)OCCC1CCC(=O)CC1 22112833 171182399 /nfs/dbraw/zinc/18/23/99/171182399.db2.gz HXJPCPKSYCNKKO-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])c1cccnc1 57489309 171182401 /nfs/dbraw/zinc/18/24/01/171182401.db2.gz ZFAJMJUHNRMPCA-VIFPVBQESA-N 0 0 194.234 1.159 10 0 ADAERN Cc1ccccc1[C@@H](C[NH3+])CC(=O)[O-] 57488893 171182469 /nfs/dbraw/zinc/18/24/69/171182469.db2.gz DWCVBFUDLAJMTO-SECBINFHSA-N 0 0 193.246 1.512 10 0 ADAERN C[NH+](C)[C@@H](CC(=O)[O-])c1cccs1 57490570 171182626 /nfs/dbraw/zinc/18/26/26/171182626.db2.gz BAAXSYXYBJYLSK-ZETCQYMHSA-N 0 0 199.275 1.826 10 0 ADAERN CC/C=C/[C@H](C[NH3+])CC(=O)[O-] 26579456 171182785 /nfs/dbraw/zinc/18/27/85/171182785.db2.gz NCZQNDSUIQSBAE-SDLBARTOSA-N 0 0 157.213 1.002 10 0 ADAERN CCC/C=C\[C@@H](C[NH3+])CC(=O)[O-] 26577852 171182935 /nfs/dbraw/zinc/18/29/35/171182935.db2.gz OFSNCCGLKFKQQK-PULIVWKDSA-N 0 0 171.240 1.392 10 0 ADAERN COC1(C(=O)N[C@@H]2CC23CC3)CCC1 335116314 171183041 /nfs/dbraw/zinc/18/30/41/171183041.db2.gz FARQIVBGFPGYCC-MRVPVSSYSA-N 0 0 195.262 1.224 10 0 ADAERN COC(=O)[C@@H]1CCc2ncccc21 222917547 171183088 /nfs/dbraw/zinc/18/30/88/171183088.db2.gz WHOZBRKGZYOMAY-MRVPVSSYSA-N 0 0 177.203 1.284 10 0 ADAERN CCC/C=C\[C@H](C[NH3+])CC(=O)[O-] 26577853 171183106 /nfs/dbraw/zinc/18/31/06/171183106.db2.gz OFSNCCGLKFKQQK-LGYSABEFSA-N 0 0 171.240 1.392 10 0 ADAERN CC(C)OC(=O)Cc1ccncc1 26820454 171183114 /nfs/dbraw/zinc/18/31/14/171183114.db2.gz UXVBBTZUKVHNGI-UHFFFAOYSA-N 0 0 179.219 1.576 10 0 ADAERN CC/C=C/[C@@H](C[NH3+])CC(=O)[O-] 26579455 171183138 /nfs/dbraw/zinc/18/31/38/171183138.db2.gz NCZQNDSUIQSBAE-KGGZQZJCSA-N 0 0 157.213 1.002 10 0 ADAERN CC(C)/C=C\[C@H](C[NH3+])CC(=O)[O-] 26577135 171183179 /nfs/dbraw/zinc/18/31/79/171183179.db2.gz BWIBLRVXACGSSA-VEMNSZJBSA-N 0 0 171.240 1.248 10 0 ADAERN CC(C)/C=C\[C@@H](C[NH3+])CC(=O)[O-] 26577134 171183206 /nfs/dbraw/zinc/18/32/06/171183206.db2.gz BWIBLRVXACGSSA-TUUFMJSCSA-N 0 0 171.240 1.248 10 0 ADAERN COC(=O)[C@H]1CCc2ncccc21 222917616 171183302 /nfs/dbraw/zinc/18/33/02/171183302.db2.gz WHOZBRKGZYOMAY-QMMMGPOBSA-N 0 0 177.203 1.284 10 0 ADAERN Nc1ccc2c(CO)occ2c1 222894728 171183317 /nfs/dbraw/zinc/18/33/17/171183317.db2.gz MDNWUJAECSCBCN-UHFFFAOYSA-N 0 0 163.176 1.507 10 0 ADAERN CO[C@@H](C)C(=O)N1CC(C)=C[C@@H](C)C1 335273728 171183484 /nfs/dbraw/zinc/18/34/84/171183484.db2.gz HHFHPIBFHSSINF-SCZZXKLOSA-N 0 0 197.278 1.446 10 0 ADAERN CCCCCCC(=O)NC(N)=O 28869821 171183643 /nfs/dbraw/zinc/18/36/43/171183643.db2.gz IYJFLAGEVXKIEP-UHFFFAOYSA-N 0 0 172.228 1.152 10 0 ADAERN CC(=O)c1ccc(C)nc1N(C)C 33312549 171184155 /nfs/dbraw/zinc/18/41/55/171184155.db2.gz ZWAGBJPRGDANBZ-UHFFFAOYSA-N 0 0 178.235 1.659 10 0 ADAERN CCCCCCC(=O)CCO 33839268 171184192 /nfs/dbraw/zinc/18/41/92/171184192.db2.gz KCTDZLVBGWXNSQ-UHFFFAOYSA-N 0 0 158.241 1.908 10 0 endogenous,in-man ADAERN CC(C)OC(=O)Cn1cccc1C=O 33508772 171184432 /nfs/dbraw/zinc/18/44/32/171184432.db2.gz DEWCAIWIWZLDKF-UHFFFAOYSA-N 0 0 195.218 1.252 10 0 ADAERN OCCCOCCOc1ccccc1 34116074 171184603 /nfs/dbraw/zinc/18/46/03/171184603.db2.gz UVXUILIZHWEGSZ-UHFFFAOYSA-N 0 0 196.246 1.464 10 0 ADAERN CCCCc1ccc(CO)nc1 34069961 171184908 /nfs/dbraw/zinc/18/49/08/171184908.db2.gz VRHGKMWVQDQNKD-UHFFFAOYSA-N 0 0 165.236 1.917 10 0 ADAERN CC(C)OC(=O)Cc1ccccn1 34335296 171185002 /nfs/dbraw/zinc/18/50/02/171185002.db2.gz WXIHFCXFTRTRCO-UHFFFAOYSA-N 0 0 179.219 1.576 10 0 ADAERN CC(C)(C)C(=O)CCn1cncn1 34580270 171185016 /nfs/dbraw/zinc/18/50/16/171185016.db2.gz FHXIPAZPDUTSIJ-UHFFFAOYSA-N 0 0 181.239 1.283 10 0 ADAERN Cc1ccccc1CC(CO)CO 58519569 171185196 /nfs/dbraw/zinc/18/51/96/171185196.db2.gz DCASLIILZFCSQK-UHFFFAOYSA-N 0 0 180.247 1.138 10 0 ADAERN C[NH+](C)[C@@H](CC(C)(C)C)C(=O)[O-] 61840616 171185428 /nfs/dbraw/zinc/18/54/28/171185428.db2.gz BICNNBKYJXGMQZ-ZETCQYMHSA-N 0 0 173.256 1.437 10 0 ADAERN CC(C)(O)CC(=O)N1CCCC1(C)C 336053489 171185609 /nfs/dbraw/zinc/18/56/09/171185609.db2.gz WBCMHQXYROIMHU-UHFFFAOYSA-N 0 0 199.294 1.548 10 0 ADAERN CC(C)C(=O)N(C)Cc1ccc[nH]1 308287020 171185743 /nfs/dbraw/zinc/18/57/43/171185743.db2.gz ZLPORAOFFPCLQQ-UHFFFAOYSA-N 0 0 180.251 1.629 10 0 ADAERN CC(=O)CCC(=O)N1C[C@@H](C)[C@@H]1C 335898110 171185811 /nfs/dbraw/zinc/18/58/11/171185811.db2.gz PPCBPBUFTAQYOV-APPZFPTMSA-N 0 0 183.251 1.222 10 0 ADAERN O=c1ncc(C2CCCCC2)c[nH]1 72192099 171185815 /nfs/dbraw/zinc/18/58/15/171185815.db2.gz VFVCQLXOAHBUAG-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN O=c1c2c(ncn1CCCF)CCC2 335883134 171185817 /nfs/dbraw/zinc/18/58/17/171185817.db2.gz HUWWZJOKSOAIMJ-UHFFFAOYSA-N 0 0 196.225 1.092 10 0 ADAERN O=c1ncc(C2CCCC2)c[nH]1 72192093 171185879 /nfs/dbraw/zinc/18/58/79/171185879.db2.gz QYJDYKQZTWUIEG-UHFFFAOYSA-N 0 0 164.208 1.428 10 0 ADAERN CC1(C)C[C@H]1NC(=O)C1=CCOCC1 335738168 171185913 /nfs/dbraw/zinc/18/59/13/171185913.db2.gz GMLBIEIYRMKORX-SECBINFHSA-N 0 0 195.262 1.248 10 0 ADAERN CCC/C=C\COC(=O)[C@@H](C)O 98088391 171185998 /nfs/dbraw/zinc/18/59/98/171185998.db2.gz CLRYHPFNHRAPPN-RPSMYOMKSA-N 0 0 172.224 1.267 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1cncnc1 336016866 171186082 /nfs/dbraw/zinc/18/60/82/171186082.db2.gz SKCMPFKCXZLZRH-MRVPVSSYSA-N 0 0 191.234 1.005 10 0 ADAERN CC[C@@H](C)C(=O)N(C)[C@H]1CCOC1 308291668 171186104 /nfs/dbraw/zinc/18/61/04/171186104.db2.gz HMLLXULVANPDLE-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN O=C(OCC1CC1)[C@@H]1CCCCN1 97575277 171186155 /nfs/dbraw/zinc/18/61/55/171186155.db2.gz KQYTWCJXFHOYJO-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN OC[C@@H]1C[C@@H]1COc1ccccc1F 238656841 171186330 /nfs/dbraw/zinc/18/63/30/171186330.db2.gz WLAXMQAVBVVHME-DTWKUNHWSA-N 0 0 196.221 1.833 10 0 ADAERN CCOC(=O)C[C@@H]1CCCC[C@@]12CO2 238853132 171186426 /nfs/dbraw/zinc/18/64/26/171186426.db2.gz ILCBTVIJUUZCBS-GXSJLCMTSA-N 0 0 198.262 1.899 10 0 ADAERN CCC/C=C\COC(=O)[C@H](C)O 98088392 171186465 /nfs/dbraw/zinc/18/64/65/171186465.db2.gz CLRYHPFNHRAPPN-SLGIHZDVSA-N 0 0 172.224 1.267 10 0 ADAERN OC[C@@H]1C[C@@H]1COc1cccc(F)c1 238656709 171186505 /nfs/dbraw/zinc/18/65/05/171186505.db2.gz MLUMOTJRSMXACK-DTWKUNHWSA-N 0 0 196.221 1.833 10 0 ADAERN CCOC(=O)C[C@@H]1CCCC[C@]12CO2 238853137 171186543 /nfs/dbraw/zinc/18/65/43/171186543.db2.gz ILCBTVIJUUZCBS-ONGXEEELSA-N 0 0 198.262 1.899 10 0 ADAERN OC[C@@H]1C[C@@H]1COc1ccccc1 238656736 171186567 /nfs/dbraw/zinc/18/65/67/171186567.db2.gz PWTSFUSMLRLWBB-VHSXEESVSA-N 0 0 178.231 1.694 10 0 ADAERN S=C1C=NSC1 73657765 171186606 /nfs/dbraw/zinc/18/66/06/171186606.db2.gz CIPDCFMYOHEWJD-UHFFFAOYSA-N 0 0 117.198 1.432 10 0 ADAERN OC[C@@H]1C[C@@H]2CCCC[C@@H]2O1 238854991 171186671 /nfs/dbraw/zinc/18/66/71/171186671.db2.gz QAKBGCPVNOIYAO-CIUDSAMLSA-N 0 0 156.225 1.326 10 0 ADAERN OC[C@@H]1C[C@@H]1COc1ccc(F)cc1 238656560 171186684 /nfs/dbraw/zinc/18/66/84/171186684.db2.gz MIANIHSRIILDSY-DTWKUNHWSA-N 0 0 196.221 1.833 10 0 ADAERN OC[C@@H]1C[C@@H]2CCCC[C@H]2O1 238854994 171186775 /nfs/dbraw/zinc/18/67/75/171186775.db2.gz QAKBGCPVNOIYAO-XHNCKOQMSA-N 0 0 156.225 1.326 10 0 ADAERN CN(C)c1cnsc1 73657742 171186819 /nfs/dbraw/zinc/18/68/19/171186819.db2.gz UGLNYMQDWOZXFD-UHFFFAOYSA-N 0 0 128.200 1.209 10 0 ADAERN CC(=O)CCC(=O)N1CC[C@H](C)[C@@H]1C 336439885 171187335 /nfs/dbraw/zinc/18/73/35/171187335.db2.gz CERJNYDPZZMXJL-WPRPVWTQSA-N 0 0 197.278 1.613 10 0 ADAERN CC(=O)C[C@@H]1CCCCCN1C=O 86500568 171187456 /nfs/dbraw/zinc/18/74/56/171187456.db2.gz ZTMKQVWANUAXMC-JTQLQIEISA-N 0 0 183.251 1.367 10 0 ADAERN CC1(C)[C@H](O)CCN1Cc1ccon1 336475461 171187481 /nfs/dbraw/zinc/18/74/81/171187481.db2.gz MIFZYOBQWVONAO-SECBINFHSA-N 0 0 196.250 1.020 10 0 ADAERN Clc1nc2ccnc(Cl)n2n1 253577742 171187537 /nfs/dbraw/zinc/18/75/37/171187537.db2.gz XKYCQUDTUSUXJN-UHFFFAOYSA-N 0 0 189.005 1.431 10 0 ADAERN CC(C)OC(=N)c1cnccn1 253574918 171187555 /nfs/dbraw/zinc/18/75/55/171187555.db2.gz UAEWBGADCOTQGC-UHFFFAOYSA-N 0 0 165.196 1.227 10 0 ADAERN NC(=O)c1ccc(-c2ccccn2)cn1 299889355 171187915 /nfs/dbraw/zinc/18/79/15/171187915.db2.gz IDGSLHYEGIYXAC-UHFFFAOYSA-N 0 0 199.213 1.243 10 0 ADAERN CC(=O)OC/C=C(/C)COC(C)=O 5132201 171187929 /nfs/dbraw/zinc/18/79/29/171187929.db2.gz LJPNEMAMFITRSO-DAXSKMNVSA-N 0 0 186.207 1.059 10 0 ADAERN C[C@H]1CCOc2cccnc21 20974555 171188012 /nfs/dbraw/zinc/18/80/12/171188012.db2.gz LPTKNKRCUZFOGS-ZETCQYMHSA-N 0 0 149.193 1.968 10 0 ADAERN F[C@@H]1C[NH2+]CC[C@H]1c1ccncc1 98091648 171188046 /nfs/dbraw/zinc/18/80/46/171188046.db2.gz GYUTWJGOAGLJSG-VHSXEESVSA-N 0 0 180.226 1.497 10 0 ADAERN F[C@@H]1C[NH2+]CC[C@@H]1c1ccncc1 98091649 171188096 /nfs/dbraw/zinc/18/80/96/171188096.db2.gz GYUTWJGOAGLJSG-NXEZZACHSA-N 0 0 180.226 1.497 10 0 ADAERN NC(=O)c1cc(C2CCCCC2)n[nH]1 336612053 171188111 /nfs/dbraw/zinc/18/81/11/171188111.db2.gz VJBCLCIANHCDPU-UHFFFAOYSA-N 0 0 193.250 1.556 10 0 ADAERN CNc1ccc(F)cc1C=O 299889428 171188112 /nfs/dbraw/zinc/18/81/12/171188112.db2.gz JHKMSLPFPADQPZ-UHFFFAOYSA-N 0 0 153.156 1.680 10 0 ADAERN CNc1ccc(CO)cc1Cl 299889164 171188135 /nfs/dbraw/zinc/18/81/35/171188135.db2.gz FIJSKPYNUYFLTC-UHFFFAOYSA-N 0 0 171.627 1.874 10 0 ADAERN O=C1O[C@H](CO)CN1c1cccs1 90728924 171188140 /nfs/dbraw/zinc/18/81/40/171188140.db2.gz JIWSWLHKZGMINZ-LURJTMIESA-N 0 0 199.231 1.066 10 0 ADAERN CCN1C(=O)CC[C@@H](CC(C)C)C1=O 336553298 171188146 /nfs/dbraw/zinc/18/81/46/171188146.db2.gz HJWOYWFXQBNTQA-VIFPVBQESA-N 0 0 197.278 1.818 10 0 ADAERN NC(=O)c1cnc(C2CCCC2)s1 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/nfs/dbraw/zinc/19/53/50/171195350.db2.gz FCNJTEACQHKHHK-UHFFFAOYSA-N 0 0 195.266 1.082 10 0 ADAERN CC(=O)C(C)(C)C(=O)c1cccn1C 77277788 171196026 /nfs/dbraw/zinc/19/60/26/171196026.db2.gz WGQTZSYBKFEPPI-UHFFFAOYSA-N 0 0 193.246 1.823 10 0 ADAERN CCCc1nn2cc(N)nc2s1 77254540 171196028 /nfs/dbraw/zinc/19/60/28/171196028.db2.gz VYMLRBSGSSIFBE-UHFFFAOYSA-N 0 0 182.252 1.326 10 0 ADAERN Cc1ccccc1[C@@H]1CNC(=O)N1C 77275215 171196155 /nfs/dbraw/zinc/19/61/55/171196155.db2.gz ZYPYQXOCGNLPRG-JTQLQIEISA-N 0 0 190.246 1.691 10 0 ADAERN COc1ccccc1[C@@H]1CCN(N)C1 77276999 171196177 /nfs/dbraw/zinc/19/61/77/171196177.db2.gz QZQFUZMIEOJNEN-SECBINFHSA-N 0 0 192.262 1.358 10 0 ADAERN S=C1[N-]NC(=C2C=C[NH+]=C2)O1 77262251 171196201 /nfs/dbraw/zinc/19/62/01/171196201.db2.gz CTRXETJPIIGKJK-UHFFFAOYSA-N 0 0 167.193 1.353 10 0 ADAERN CC(=O)C(C)(C)C(=O)c1cc[nH]c1 77267453 171196252 /nfs/dbraw/zinc/19/62/52/171196252.db2.gz YBSLCTHKOZWBJJ-UHFFFAOYSA-N 0 0 179.219 1.813 10 0 ADAERN Nc1[nH][nH]c(=O)c1Cc1ccccc1 77274552 171196269 /nfs/dbraw/zinc/19/62/69/171196269.db2.gz BOXHRBWOKIKYAJ-UHFFFAOYSA-N 0 0 189.218 1.288 10 0 ADAERN Cc1ccccc1C1CNC(=O)NC1 77275174 171196300 /nfs/dbraw/zinc/19/63/00/171196300.db2.gz PBOLMINPZHHKQN-UHFFFAOYSA-N 0 0 190.246 1.391 10 0 ADAERN Cc1ccccc1[C@@H]1CCN(N)C1 77266318 171196315 /nfs/dbraw/zinc/19/63/15/171196315.db2.gz JUSABZPLAKIJAG-SNVBAGLBSA-N 0 0 176.263 1.658 10 0 ADAERN COc1ccccc1[C@@H]1CCCN1N 77276969 171196332 /nfs/dbraw/zinc/19/63/32/171196332.db2.gz OEBGTZGOCPJTMU-JTQLQIEISA-N 0 0 192.262 1.706 10 0 ADAERN CC(=O)C(C)(C)C(=O)c1ccccn1 77276004 171196336 /nfs/dbraw/zinc/19/63/36/171196336.db2.gz MMVLNDOIRGXPJZ-UHFFFAOYSA-N 0 0 191.230 1.880 10 0 ADAERN Cc1ccccc1[C@@H]1CNC(=O)N1 77266082 171196338 /nfs/dbraw/zinc/19/63/38/171196338.db2.gz JTGFDLYLACCDIU-VIFPVBQESA-N 0 0 176.219 1.349 10 0 ADAERN Cc1ccccc1[C@@H]1CCNC(=O)N1 77275148 171196355 /nfs/dbraw/zinc/19/63/55/171196355.db2.gz RDJHTPDPRLGQOU-JTQLQIEISA-N 0 0 190.246 1.739 10 0 ADAERN Cc1ccccc1[C@@H](O)C(=O)N(C)C 77277855 171196405 /nfs/dbraw/zinc/19/64/05/171196405.db2.gz QLRUQIWEWSZQRQ-SNVBAGLBSA-N 0 0 193.246 1.117 10 0 ADAERN [O-][n+]1cc(F)cc(Cl)c1Cl 77254397 171196432 /nfs/dbraw/zinc/19/64/32/171196432.db2.gz YZKRPSOEVCUBQG-UHFFFAOYSA-N 0 0 181.981 1.766 10 0 ADAERN Nc1[nH][nH]c(=O)c1Cc1cccs1 77295773 171196449 /nfs/dbraw/zinc/19/64/49/171196449.db2.gz XHAJAPHXRWJUJW-UHFFFAOYSA-N 0 0 195.247 1.350 10 0 ADAERN Cc1ccccc1N1NCCC1=O 77266133 171196455 /nfs/dbraw/zinc/19/64/55/171196455.db2.gz CYPVKGOBOHQNPM-UHFFFAOYSA-N 0 0 176.219 1.236 10 0 ADAERN CCCc1nn(C)c(C)c1N 77260726 171196491 /nfs/dbraw/zinc/19/64/91/171196491.db2.gz YGUJZPUYEKKJLY-UHFFFAOYSA-N 0 0 153.229 1.263 10 0 ADAERN S=C1N=NC(c2cc[nH]c2)N1 77261942 171196496 /nfs/dbraw/zinc/19/64/96/171196496.db2.gz ACOVYJROAXWCBF-UHFFFAOYSA-N 0 0 166.209 1.089 10 0 ADAERN Cc1ccccc1[C@H](O)C(=O)N(C)C 77277852 171196545 /nfs/dbraw/zinc/19/65/45/171196545.db2.gz QLRUQIWEWSZQRQ-JTQLQIEISA-N 0 0 193.246 1.117 10 0 ADAERN CC(=O)C(C)(C)C(=O)c1ccc[nH]1 77267449 171196578 /nfs/dbraw/zinc/19/65/78/171196578.db2.gz AHUVCAWGANLDIM-UHFFFAOYSA-N 0 0 179.219 1.813 10 0 ADAERN CCc1[nH]c(=S)n(C)c1N 77261079 171196588 /nfs/dbraw/zinc/19/65/88/171196588.db2.gz XTMBMGLJMFMPJO-UHFFFAOYSA-N 0 0 157.242 1.227 10 0 ADAERN O=c1oc(CCO)cc2ccccc12 61701379 171196734 /nfs/dbraw/zinc/19/67/34/171196734.db2.gz FFXZXDXQOBDRHE-UHFFFAOYSA-N 0 0 190.198 1.328 10 0 ADAERN S=C1N=NC(c2ccc[nH]2)N1 60216681 171196771 /nfs/dbraw/zinc/19/67/71/171196771.db2.gz JOOUWWXLFHFUJT-UHFFFAOYSA-N 0 0 166.209 1.089 10 0 ADAERN CC(=O)OCC(C)(C)C 1587724 171196924 /nfs/dbraw/zinc/19/69/24/171196924.db2.gz QLNYTCSELYEEPV-UHFFFAOYSA-N 0 0 130.187 1.596 10 0 in-vitro ADAERN Cc1ccccc1CC(=O)CO 59234887 171196988 /nfs/dbraw/zinc/19/69/88/171196988.db2.gz WASHLTNQDZQDQP-UHFFFAOYSA-N 0 0 164.204 1.099 10 0 ADAERN Cc1ccc2[nH]c(=O)n(C)c2c1 60051113 171197110 /nfs/dbraw/zinc/19/71/10/171197110.db2.gz GTDHFKHSNKAMNW-UHFFFAOYSA-N 0 0 162.192 1.175 10 0 ADAERN CN1C(=O)CCOc2cc(N)ccc21 62521648 171197442 /nfs/dbraw/zinc/19/74/42/171197442.db2.gz KENABMTXMAYTQK-UHFFFAOYSA-N 0 0 192.218 1.014 10 0 ADAERN C[C@@H]1CC(C)(O)C[C@@H](C)C1=O 62715856 171197544 /nfs/dbraw/zinc/19/75/44/171197544.db2.gz FBISYBGULVJUGP-RNFRBKRXSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1ccc2[nH]c(=O)oc2c1C 62498505 171197566 /nfs/dbraw/zinc/19/75/66/171197566.db2.gz DTZFGXXLBYHBIY-UHFFFAOYSA-N 0 0 163.176 1.738 10 0 ADAERN CN1C(=O)CCOc2c(N)cccc21 62521672 171197613 /nfs/dbraw/zinc/19/76/13/171197613.db2.gz ZODCASLUGGBZHU-UHFFFAOYSA-N 0 0 192.218 1.014 10 0 ADAERN CN1C(=O)CCOc2ccc(N)cc21 62521627 171197639 /nfs/dbraw/zinc/19/76/39/171197639.db2.gz LRQPTAUBMQDYQC-UHFFFAOYSA-N 0 0 192.218 1.014 10 0 ADAERN O=Cc1ccccc1N=O 62715294 171197651 /nfs/dbraw/zinc/19/76/51/171197651.db2.gz YJIHPMSQOPZABY-UHFFFAOYSA-N 0 0 135.122 1.897 10 0 ADAERN CC1(C)CO[C@H](Cc2ccccc2)[NH2+]1 62152562 171197661 /nfs/dbraw/zinc/19/76/61/171197661.db2.gz MASREYRSSXGBPI-LLVKDONJSA-N 0 0 191.274 1.954 10 0 ADAERN O=c1oc(-c2ccc(F)cc2)ns1 95587865 171197675 /nfs/dbraw/zinc/19/76/75/171197675.db2.gz JKYAIMMIAFYURA-UHFFFAOYSA-N 0 0 197.190 1.902 10 0 ADAERN Fc1cc(-c2c[nH]nn2)ccn1 95561564 171197701 /nfs/dbraw/zinc/19/77/01/171197701.db2.gz COPWSNUMYYPDFZ-UHFFFAOYSA-N 0 0 164.143 1.006 10 0 ADAERN CC(C)c1cccc2c1[nH]c(=O)n2O 95576011 171197786 /nfs/dbraw/zinc/19/77/86/171197786.db2.gz YQOBAVYEIMLOBN-UHFFFAOYSA-N 0 0 192.218 1.690 10 0 ADAERN CC1(C)CO[C@@H](Cc2ccccc2)[NH2+]1 62152563 171197798 /nfs/dbraw/zinc/19/77/98/171197798.db2.gz MASREYRSSXGBPI-NSHDSACASA-N 0 0 191.274 1.954 10 0 ADAERN O=c1[nH]ncc(Cl)c1N1CCCC1 62339401 171197819 /nfs/dbraw/zinc/19/78/19/171197819.db2.gz AYDVDPMNOFTGMX-UHFFFAOYSA-N 0 0 199.641 1.436 10 0 ADAERN Nc1ccc(F)c2c1OCCO2 62498572 171197827 /nfs/dbraw/zinc/19/78/27/171197827.db2.gz BDFAITLYRBDTSE-UHFFFAOYSA-N 0 0 169.155 1.179 10 0 ADAERN CN(C)c1ncc(C(C)(C)[NH3+])s1 62201805 171197858 /nfs/dbraw/zinc/19/78/58/171197858.db2.gz KWZAMMWUALBHRN-UHFFFAOYSA-N 0 0 185.296 1.403 10 0 ADAERN CN1C(=O)CCOc2c(F)cccc21 62522007 171197919 /nfs/dbraw/zinc/19/79/19/171197919.db2.gz XJZDECWBEWSDAE-UHFFFAOYSA-N 0 0 195.193 1.571 10 0 ADAERN c1c2c(cc3c1OCCO3)OCCN2 62521897 171197948 /nfs/dbraw/zinc/19/79/48/171197948.db2.gz OTYUQVDECQCWKG-UHFFFAOYSA-N 0 0 193.202 1.262 10 0 ADAERN O=Cc1cccc(N=O)c1 62715292 171197976 /nfs/dbraw/zinc/19/79/76/171197976.db2.gz GEZMQGHOIAKYSL-UHFFFAOYSA-N 0 0 135.122 1.897 10 0 ADAERN C[C@H]1CC(C)(O)C[C@H](C)C1=O 62715854 171197982 /nfs/dbraw/zinc/19/79/82/171197982.db2.gz FBISYBGULVJUGP-BQBZGAKWSA-N 0 0 156.225 1.373 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1cscn1 62663605 171198015 /nfs/dbraw/zinc/19/80/15/171198015.db2.gz KAFPGTMVRCUVDE-SSDOTTSWSA-N 0 0 196.275 1.671 10 0 ADAERN CN1C(=O)CCOc2ccc(F)cc21 62522003 171198018 /nfs/dbraw/zinc/19/80/18/171198018.db2.gz NEAUWWABNGVAJL-UHFFFAOYSA-N 0 0 195.193 1.571 10 0 ADAERN Nc1ccc(N)c2c(O)cccc12 62718582 171198145 /nfs/dbraw/zinc/19/81/45/171198145.db2.gz BPFRUTMLXQKQKG-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN [O-][n+]1c2n(c3ccccc31)CCC2 95923081 171198178 /nfs/dbraw/zinc/19/81/78/171198178.db2.gz JLIPWSNAPYVNFJ-UHFFFAOYSA-N 0 0 174.203 1.221 10 0 ADAERN Nc1ccc(N)c2c(N)ccc(N)c12 62719661 171198185 /nfs/dbraw/zinc/19/81/85/171198185.db2.gz LJYJFKXQKHSSEB-UHFFFAOYSA-N 0 0 188.234 1.169 10 0 ADAERN Nc1ccc(Cl)nc1NC1CC1 95918569 171198230 /nfs/dbraw/zinc/19/82/30/171198230.db2.gz UTFWBXXKVGWUFC-UHFFFAOYSA-N 0 0 183.642 1.892 10 0 ADAERN Nc1ccc2c(N)c(N)ccc2c1 62718508 171198232 /nfs/dbraw/zinc/19/82/32/171198232.db2.gz QWBVAFIKCAAQRS-UHFFFAOYSA-N 0 0 173.219 1.586 10 0 ADAERN CC(=O)Nc1c(O)cc(C)cc1O 62719142 171198258 /nfs/dbraw/zinc/19/82/58/171198258.db2.gz SUTAXVZCDHQVLO-UHFFFAOYSA-N 0 0 181.191 1.365 10 0 ADAERN Nc1ccc2c(O)cccc2c1N 62718579 171198263 /nfs/dbraw/zinc/19/82/63/171198263.db2.gz JCBMUDKRBADEOQ-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN NC(=O)c1ccc2ccc(F)cc2n1 62567464 171198266 /nfs/dbraw/zinc/19/82/66/171198266.db2.gz JHDINXRWNHWTQA-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN Nc1ccc2c(N)c(O)ccc2c1 62718596 171198291 /nfs/dbraw/zinc/19/82/91/171198291.db2.gz BZTGPSLWAMFJFF-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN CC(=O)CCC1(C)C(=O)CCCC1=O 62720331 171198338 /nfs/dbraw/zinc/19/83/38/171198338.db2.gz ZNVNGGMKNCURSF-UHFFFAOYSA-N 0 0 196.246 1.684 10 0 ADAERN COc1ccccc1[C@@H](O)[C@H](C)O 62719174 171198340 /nfs/dbraw/zinc/19/83/40/171198340.db2.gz GXFIUMAKMVGWTF-XVKPBYJWSA-N 0 0 182.219 1.109 10 0 ADAERN NC(=O)c1cnc2cc(F)ccc2c1 62864123 171198352 /nfs/dbraw/zinc/19/83/52/171198352.db2.gz POZJVWORZRRPMB-UHFFFAOYSA-N 0 0 190.177 1.473 10 0 ADAERN Nc1ccc2c(O)c(N)ccc2c1 62718567 171198354 /nfs/dbraw/zinc/19/83/54/171198354.db2.gz NQBDCFODNCKJMV-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN CNc1ccc(N=O)cc1C(=O)OC 62720161 171198390 /nfs/dbraw/zinc/19/83/90/171198390.db2.gz NGZBAOSIOBJIEY-UHFFFAOYSA-N 0 0 194.190 1.913 10 0 ADAERN Nc1ccc2c(N)cccc2c1O 62718564 171198415 /nfs/dbraw/zinc/19/84/15/171198415.db2.gz XXVVHIKCPAKUPQ-UHFFFAOYSA-N 0 0 174.203 1.710 10 0 ADAERN Nc1ccc2c(O)cccc2c1O 62718692 171198492 /nfs/dbraw/zinc/19/84/92/171198492.db2.gz ARSHFEBGMPMHHZ-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1ccc2c(N)cc(N)c(O)c2c1 62719744 171198528 /nfs/dbraw/zinc/19/85/28/171198528.db2.gz JARKRCMPBKBOAM-UHFFFAOYSA-N 0 0 189.218 1.292 10 0 ADAERN C=Cc1c(N)ncnc1Cl 95828706 171198633 /nfs/dbraw/zinc/19/86/33/171198633.db2.gz UUBKOFYYBMGTCE-UHFFFAOYSA-N 0 0 155.588 1.355 10 0 ADAERN CC(C)C(=O)[C@@H](N)C(F)(F)F 149152496 344062441 /nfs/dbraw/zinc/06/24/41/344062441.db2.gz GHFWAYIUBCIHCN-RXMQYKEDSA-N 0 0 169.146 1.101 10 0 ADAERN C[Si](C)(C)C[C@@H](C[NH3+])CC(=O)[O-] 195381568 171198750 /nfs/dbraw/zinc/19/87/50/171198750.db2.gz WVXKDLMEWYLCPU-SSDOTTSWSA-N 0 0 189.331 1.374 10 0 ADAERN Cc1ccnc(CN2CCCCC2)n1 334519661 171198754 /nfs/dbraw/zinc/19/87/54/171198754.db2.gz HBYRVBJESSYODB-UHFFFAOYSA-N 0 0 191.278 1.771 10 0 ADAERN O=C([O-])C1(C2CCCC2)CC[NH2+]CC1 96866458 171198783 /nfs/dbraw/zinc/19/87/83/171198783.db2.gz LWAFIUFLLMCNDY-UHFFFAOYSA-N 0 0 197.278 1.631 10 0 ADAERN C[C@H]1CC[C@@H](C)CN1C(=O)NC1CC1 97010181 171198801 /nfs/dbraw/zinc/19/88/01/171198801.db2.gz LVFKKXNUOPUJSN-BDAKNGLRSA-N 0 0 196.294 1.979 10 0 ADAERN O=c1ncc(-c2cccc(O)c2)c[nH]1 65344498 171198979 /nfs/dbraw/zinc/19/89/79/171198979.db2.gz QBWDUUZJQCQWQA-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN CN1C(=O)CC[C@@H]1OC(C)(C)C 96675493 171199062 /nfs/dbraw/zinc/19/90/62/171199062.db2.gz ZEGLTSOKHCAHJT-QMMMGPOBSA-N 0 0 171.240 1.380 10 0 ADAERN FC(F)(F)c1nnc2ccccn12 96327901 171199069 /nfs/dbraw/zinc/19/90/69/171199069.db2.gz CPPGKUNXLJPVNO-UHFFFAOYSA-N 0 0 187.124 1.748 10 0 ADAERN O=C([O-])C1([C@H]2CCC[NH2+]C2)CCCC1 96866456 171199114 /nfs/dbraw/zinc/19/91/14/171199114.db2.gz IIJBXIPXDIUHCN-VIFPVBQESA-N 0 0 197.278 1.631 10 0 ADAERN CC(C)c1cnc(C2CC2)[nH]c1=O 96311259 171199208 /nfs/dbraw/zinc/19/92/08/171199208.db2.gz UMORNXUSJIHKRF-UHFFFAOYSA-N 0 0 178.235 1.771 10 0 ADAERN C[C@H]1CC[C@@H](C)N(C(=O)NC2CC2)C1 97010189 171199238 /nfs/dbraw/zinc/19/92/38/171199238.db2.gz LVFKKXNUOPUJSN-DTWKUNHWSA-N 0 0 196.294 1.979 10 0 ADAERN CC/C=C1/C[C@@H](C(=O)[O-])[N@H+](C)C1 65748527 171199284 /nfs/dbraw/zinc/19/92/84/171199284.db2.gz NJFNZOJRGQZHEK-NZGHECTNSA-N 0 0 169.224 1.112 10 0 in-vitro ADAERN NCC(F)(F)c1cccc(Cl)n1 96308567 171199315 /nfs/dbraw/zinc/19/93/15/171199315.db2.gz KNSRVAQUCJYJAF-UHFFFAOYSA-N 0 0 192.596 1.786 10 0 ADAERN O=c1ncc(-c2cccs2)c[nH]1 65344486 171199317 /nfs/dbraw/zinc/19/93/17/171199317.db2.gz JEBLANMOBRUEAJ-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1ncc(-c2ccsc2)c[nH]1 65344488 171199320 /nfs/dbraw/zinc/19/93/20/171199320.db2.gz LVSXKHUUGPIHCV-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1ncc(-c2ccccc2O)c[nH]1 65344493 171199362 /nfs/dbraw/zinc/19/93/62/171199362.db2.gz YSAMXITWYSFPSH-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN C[Si](C)(C)C[C@H](C[NH3+])CC(=O)[O-] 195378193 171199502 /nfs/dbraw/zinc/19/95/02/171199502.db2.gz WVXKDLMEWYLCPU-ZETCQYMHSA-N 0 0 189.331 1.374 10 0 ADAERN 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/nfs/dbraw/zinc/21/19/89/171211989.db2.gz SPSYMWKHDUJABD-UHFFFAOYSA-N 0 0 132.166 1.750 10 0 in-vitro ADAERN O=[N+]([O-])OCCCc1ccc(O)cc1 21994911 171211993 /nfs/dbraw/zinc/21/19/93/171211993.db2.gz SUAOVYIUYRHEBD-UHFFFAOYSA-N 0 0 197.190 1.533 10 0 ADAERN C/C=C\COC(C)=O 31308608 171212057 /nfs/dbraw/zinc/21/20/57/171212057.db2.gz WNHXJHGRIHUOTG-ARJAWSKDSA-N 0 0 114.144 1.126 10 0 ADAERN O=Cc1ccc(CCCO)cc1 39342177 171078556 /nfs/dbraw/zinc/07/85/56/171078556.db2.gz YDGXOVRNIKDKFX-UHFFFAOYSA-N 0 0 164.204 1.424 10 0 ADAERN FC(F)(F)n1ccnc1 39333847 171078591 /nfs/dbraw/zinc/07/85/91/171078591.db2.gz RLXUXICUOSILHE-UHFFFAOYSA-N 0 0 136.076 1.359 10 0 ADAERN C[C@@H]1OC(=O)c2ccccc2O1 39437561 171078643 /nfs/dbraw/zinc/07/86/43/171078643.db2.gz RRMBKCAIMIBFNJ-LURJTMIESA-N 0 0 164.160 1.582 10 0 ADAERN CC(=O)Nc1ccc2c(c1)C(=O)CC2 39381751 171078673 /nfs/dbraw/zinc/07/86/73/171078673.db2.gz AZXCAZDYBUNSRH-UHFFFAOYSA-N 0 0 189.214 1.774 10 0 ADAERN Cc1ccccc1N(C)C(N)=S 39348650 171078687 /nfs/dbraw/zinc/07/86/87/171078687.db2.gz CODDTYSNZOWSCU-UHFFFAOYSA-N 0 0 180.276 1.675 10 0 ADAERN Cc1ccccc1[C@H](C(N)=O)N(C)C 39408422 171078695 /nfs/dbraw/zinc/07/86/95/171078695.db2.gz VPDOSNJPTNTAGZ-SNVBAGLBSA-N 0 0 192.262 1.083 10 0 ADAERN Br/C=C/CN1CCC1 39326062 171078750 /nfs/dbraw/zinc/07/87/50/171078750.db2.gz VRVGODVCKCAHNJ-HNQUOIGGSA-N 0 0 176.057 1.601 10 0 ADAERN C[C@H]1OC(=O)c2ccccc2O1 39437559 171078768 /nfs/dbraw/zinc/07/87/68/171078768.db2.gz RRMBKCAIMIBFNJ-ZCFIWIBFSA-N 0 0 164.160 1.582 10 0 ADAERN Cc1ccnc(C(C)(C)O)c1 39326075 171078813 /nfs/dbraw/zinc/07/88/13/171078813.db2.gz JEMARLRZQMPEEW-UHFFFAOYSA-N 0 0 151.209 1.617 10 0 ADAERN NC1=NC(=O)C[C@@H]1c1ccccc1 169393808 171213864 /nfs/dbraw/zinc/21/38/64/171213864.db2.gz HZKUOJLGUBWJGY-MRVPVSSYSA-N 0 0 174.203 1.058 10 0 ADAERN NC(=O)c1scnc1C1CC1 306394484 171213866 /nfs/dbraw/zinc/21/38/66/171213866.db2.gz FFCXRGDQFBJZRS-UHFFFAOYSA-N 0 0 168.221 1.119 10 0 ADAERN CC1(C)C[C@H]1NC(=O)N1CC(F)C1 306227957 171213898 /nfs/dbraw/zinc/21/38/98/171213898.db2.gz XAXZQGVVMOQBDA-SSDOTTSWSA-N 0 0 186.230 1.148 10 0 ADAERN NC1=NC(=O)C[C@H]1c1ccccc1 169393811 171213911 /nfs/dbraw/zinc/21/39/11/171213911.db2.gz HZKUOJLGUBWJGY-QMMMGPOBSA-N 0 0 174.203 1.058 10 0 ADAERN C[C@H]1CC2(CCC2)CN1C(N)=O 306396708 171213913 /nfs/dbraw/zinc/21/39/13/171213913.db2.gz HHUGPPXDMCSCGH-ZETCQYMHSA-N 0 0 168.240 1.330 10 0 ADAERN CCC1(C(=O)N2CCCO2)CC1 306539665 171213933 /nfs/dbraw/zinc/21/39/33/171213933.db2.gz VKHRAFDJDFTDGW-UHFFFAOYSA-N 0 0 169.224 1.341 10 0 ADAERN Oc1cccc(C2=NCCO2)c1 168961532 171213953 /nfs/dbraw/zinc/21/39/53/171213953.db2.gz RIZOJFCPZDFNDF-UHFFFAOYSA-N 0 0 163.176 1.169 10 0 ADAERN Cc1ccccc1N[C@H]1CCNC1=O 306538933 171213990 /nfs/dbraw/zinc/21/39/90/171213990.db2.gz MPGNKRNVBXANCP-JTQLQIEISA-N 0 0 190.246 1.295 10 0 ADAERN CC1(C)OC(=O)N(C(C)(C)C)C1=O 169337343 171214013 /nfs/dbraw/zinc/21/40/13/171214013.db2.gz UVMKEAULVWMWQB-UHFFFAOYSA-N 0 0 185.223 1.542 10 0 ADAERN CC1(C)[C@H](O)CCN1C(=O)CC1CC1 306729680 171214018 /nfs/dbraw/zinc/21/40/18/171214018.db2.gz OTANYMKXBOXIRS-SECBINFHSA-N 0 0 197.278 1.158 10 0 ADAERN CNc1ccc(C(=O)NC2CC2)s1 306189973 171214021 /nfs/dbraw/zinc/21/40/21/171214021.db2.gz VXFOJQGYLLIVRN-UHFFFAOYSA-N 0 0 196.275 1.682 10 0 ADAERN Cc1ccccc1N[C@@H]1CCNC1=O 306538934 171214026 /nfs/dbraw/zinc/21/40/26/171214026.db2.gz MPGNKRNVBXANCP-SNVBAGLBSA-N 0 0 190.246 1.295 10 0 ADAERN O=c1cc(C(F)F)ncn1CCF 306228312 171214236 /nfs/dbraw/zinc/21/42/36/171214236.db2.gz HJXNXXWPRRGZTG-UHFFFAOYSA-N 0 0 192.140 1.150 10 0 ADAERN NC(=O)c1csc(NC2CCC2)n1 306876000 171214246 /nfs/dbraw/zinc/21/42/46/171214246.db2.gz HICNERFXJPUIFH-UHFFFAOYSA-N 0 0 197.263 1.206 10 0 ADAERN C[C@@H]1CC2(CCC2)CN1C(N)=O 306396707 171214247 /nfs/dbraw/zinc/21/42/47/171214247.db2.gz HHUGPPXDMCSCGH-SSDOTTSWSA-N 0 0 168.240 1.330 10 0 ADAERN CC(C)OC(=O)C1CCC(=O)CC1 306416729 171214349 /nfs/dbraw/zinc/21/43/49/171214349.db2.gz RAYYDQANHIZBAI-UHFFFAOYSA-N 0 0 184.235 1.697 10 0 ADAERN CC/C=C/C[C@H](C)O 4283840 171214932 /nfs/dbraw/zinc/21/49/32/171214932.db2.gz KZUFTCBJDQXWOJ-KPJROHGDSA-N 0 0 114.188 1.724 10 0 ADAERN COc1ccccc1N(C)C 5140683 171214971 /nfs/dbraw/zinc/21/49/71/171214971.db2.gz XQFJDFIHJKPUEL-UHFFFAOYSA-N 0 0 151.209 1.761 10 0 ADAERN CC(=O)Nc1cc(O)ccc1O 14819 171215054 /nfs/dbraw/zinc/21/50/54/171215054.db2.gz IKDULNHJECGNTK-UHFFFAOYSA-N 0 0 167.164 1.056 10 0 ADAERN NC(=S)COCCc1ccccc1 26516588 171215073 /nfs/dbraw/zinc/21/50/73/171215073.db2.gz SGWFNENBIOXTIE-UHFFFAOYSA-N 0 0 195.287 1.532 10 0 ADAERN O=C1N=Cc2ccccc21 3652737 171215246 /nfs/dbraw/zinc/21/52/46/171215246.db2.gz XTBAPWCYTNCZTO-UHFFFAOYSA-N 0 0 131.134 1.259 10 0 ADAERN CC/C=C/CC(C)=O 5761863 171215416 /nfs/dbraw/zinc/21/54/16/171215416.db2.gz VQKIKHHXFHNXJT-SNAWJCMRSA-N 0 0 112.172 1.932 10 0 endogenous,in-man ADAERN CC[C@]1(O)C=CCCC1 149170866 344062975 /nfs/dbraw/zinc/06/29/75/344062975.db2.gz IKLSSDGAWNFKDD-QMMMGPOBSA-N 0 0 126.199 1.868 10 0 ADAERN Cc1ccccc1C(=O)N1CCCN1 307097413 171215443 /nfs/dbraw/zinc/21/54/43/171215443.db2.gz VHSAGDHTCSKRGP-UHFFFAOYSA-N 0 0 190.246 1.346 10 0 ADAERN O=C1CC[C@@H](C(=O)c2ccccc2)O1 13462416 171215517 /nfs/dbraw/zinc/21/55/17/171215517.db2.gz NHIOAYPFYQRMFW-VIFPVBQESA-N 0 0 190.198 1.575 10 0 ADAERN c1cnc(S[C@H]2CCOC2)nc1 307201097 171215566 /nfs/dbraw/zinc/21/55/66/171215566.db2.gz DVQVSXXHYBFEKM-ZETCQYMHSA-N 0 0 182.248 1.358 10 0 ADAERN c1cnc(S[C@@H]2CCOC2)nc1 307201096 171215633 /nfs/dbraw/zinc/21/56/33/171215633.db2.gz DVQVSXXHYBFEKM-SSDOTTSWSA-N 0 0 182.248 1.358 10 0 ADAERN C[C@@H]1OCCCS1 14592620 171215700 /nfs/dbraw/zinc/21/57/00/171215700.db2.gz VKZBKCJAWXBYBF-RXMQYKEDSA-N 0 0 118.201 1.486 10 0 endogenous,in-man ADAERN O=C1C=Nc2ccccc21 14517271 171215710 /nfs/dbraw/zinc/21/57/10/171215710.db2.gz FGFUBBNNYLNVLJ-UHFFFAOYSA-N 0 0 131.134 1.585 10 0 in-vitro ADAERN CC1(C)C[C@H]1NC(=O)[C@H]1CCSC1 307551526 171215723 /nfs/dbraw/zinc/21/57/23/171215723.db2.gz PNYMVLJRPPFZDT-JGVFFNPUSA-N 0 0 199.319 1.654 10 0 ADAERN O=C1O[C@@H](CCCO)c2ccccc21 14507373 171215812 /nfs/dbraw/zinc/21/58/12/171215812.db2.gz LUYZTQQSXIRSJG-JTQLQIEISA-N 0 0 192.214 1.671 10 0 ADAERN O=c1nnc(-c2ccccc2)c[nH]1 26506641 171215938 /nfs/dbraw/zinc/21/59/38/171215938.db2.gz FVUIKOKQEZSEGP-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN CCC/C=C\C=C\CO 20230704 171215976 /nfs/dbraw/zinc/21/59/76/171215976.db2.gz LMBAOEUOOJDUBP-SCFJQAPRSA-N 0 0 126.199 1.891 10 0 ADAERN N[C@@H](c1nccs1)[C@@H]1CCCO1 149210241 344062976 /nfs/dbraw/zinc/06/29/76/344062976.db2.gz DIPVZQKFRSBROR-NKWVEPMBSA-N 0 0 184.264 1.322 10 0 ADAERN O=c1oc2cc(O)ccc2cc1O 13481513 171216116 /nfs/dbraw/zinc/21/61/16/171216116.db2.gz GLEMZFGSPKRSOO-UHFFFAOYSA-N 0 0 178.143 1.204 10 0 ADAERN OC/C=C\c1ccc(O)cc1 13520456 171216135 /nfs/dbraw/zinc/21/61/35/171216135.db2.gz PTNLHDGQWUGONS-UPHRSURJSA-N 0 0 150.177 1.398 10 0 ADAERN CC1(C)C[C@H]1NC(=O)[C@@H]1CCSC1 307551525 171216172 /nfs/dbraw/zinc/21/61/72/171216172.db2.gz PNYMVLJRPPFZDT-HTQZYQBOSA-N 0 0 199.319 1.654 10 0 ADAERN c1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1 306967701 171216173 /nfs/dbraw/zinc/21/61/73/171216173.db2.gz NKDVTNRWIKXHLO-AYMMMOKOSA-N 0 0 175.235 1.687 10 0 ADAERN NC(=O)c1cc(Cl)c2c(c1)OCO2 37388095 171216447 /nfs/dbraw/zinc/21/64/47/171216447.db2.gz CFNJTSOFCJZFNW-UHFFFAOYSA-N 0 0 199.593 1.168 10 0 ADAERN CNc1ccc(C=O)cc1O 33824862 171216584 /nfs/dbraw/zinc/21/65/84/171216584.db2.gz LTLFTIKWDTUHLQ-UHFFFAOYSA-N 0 0 151.165 1.246 10 0 ADAERN OCCSc1ncccc1Cl 35083800 171216645 /nfs/dbraw/zinc/21/66/45/171216645.db2.gz AOUOPJDGMYUGRA-UHFFFAOYSA-N 0 0 189.667 1.819 10 0 ADAERN NC(=O)c1cccc(OC(F)F)c1 37387427 171216673 /nfs/dbraw/zinc/21/66/73/171216673.db2.gz GHFOOAJUCFTABV-UHFFFAOYSA-N 0 0 187.145 1.387 10 0 ADAERN CN(C)C(=O)C1(CCF)CC1 307730077 171216694 /nfs/dbraw/zinc/21/66/94/171216694.db2.gz JYICAKYJWGGSRO-UHFFFAOYSA-N 0 0 159.204 1.214 10 0 ADAERN CC/C=C\C(=O)OCC 31350329 171216861 /nfs/dbraw/zinc/21/68/61/171216861.db2.gz AGMKVZDPATUSMS-WAYWQWQTSA-N 0 0 128.171 1.516 10 0 ADAERN CCOc1ccc(F)cc1C[NH3+] 37237069 171217040 /nfs/dbraw/zinc/21/70/40/171217040.db2.gz ICMJULWESRATDG-UHFFFAOYSA-N 0 0 169.199 1.683 10 0 ADAERN CC(=O)C[C@@H](O)c1ccc(F)cc1 35308744 171217081 /nfs/dbraw/zinc/21/70/81/171217081.db2.gz NBYRSOPKYRUHDE-SNVBAGLBSA-N 0 0 182.194 1.838 10 0 ADAERN CC/C=C\CC(C)=O 33952697 171217189 /nfs/dbraw/zinc/21/71/89/171217189.db2.gz VQKIKHHXFHNXJT-PLNGDYQASA-N 0 0 112.172 1.932 10 0 ADAERN Cc1ccccc1NC#N 38433659 171217192 /nfs/dbraw/zinc/21/71/92/171217192.db2.gz DRBLTDRGXNXHFZ-UHFFFAOYSA-N 0 0 132.166 1.888 10 0 ADAERN CC(=O)CCC(=O)N1CC[C@@H](C)[C@@H]1C 336439883 171217342 /nfs/dbraw/zinc/21/73/42/171217342.db2.gz CERJNYDPZZMXJL-SCZZXKLOSA-N 0 0 197.278 1.613 10 0 ADAERN S=c1[nH]ccc2ncccc12 40539551 171217370 /nfs/dbraw/zinc/21/73/70/171217370.db2.gz GQJFSHHYOCKMPH-UHFFFAOYSA-N 0 0 162.217 1.919 10 0 ADAERN CN(C)C(=O)CC1(C(F)(F)F)CC1 335571461 171217426 /nfs/dbraw/zinc/21/74/26/171217426.db2.gz URZJZHIXQUHCSO-UHFFFAOYSA-N 0 0 195.184 1.807 10 0 ADAERN CC(=O)CCC(=O)N1CC[C@H](C)[C@H]1C 336439884 171217475 /nfs/dbraw/zinc/21/74/75/171217475.db2.gz CERJNYDPZZMXJL-WCBMZHEXSA-N 0 0 197.278 1.613 10 0 ADAERN Cc1ccccc1[C@@H](C)CC(N)=O 41199841 171217569 /nfs/dbraw/zinc/21/75/69/171217569.db2.gz HAHHMBNHCYKRPA-VIFPVBQESA-N 0 0 177.247 1.974 10 0 ADAERN CN(C)c1nc(Cl)c2c(n1)CCC2 42400305 171217578 /nfs/dbraw/zinc/21/75/78/171217578.db2.gz YGJSMIPCXXGKJF-UHFFFAOYSA-N 0 0 197.669 1.685 10 0 ADAERN [O-][n+]1cc(F)cc2ccccc21 40539573 171217655 /nfs/dbraw/zinc/21/76/55/171217655.db2.gz SRRHECUIFSXYDH-UHFFFAOYSA-N 0 0 163.151 1.612 10 0 ADAERN ClC1=CC2=NCCCN2C=N1 334160122 171217873 /nfs/dbraw/zinc/21/78/73/171217873.db2.gz ANSGRTZUZOBOGS-UHFFFAOYSA-N 0 0 169.615 1.213 10 0 ADAERN O=c1sccn1Cc1ccccc1 125953973 171217881 /nfs/dbraw/zinc/21/78/81/171217881.db2.gz AJYLIRXMRPOXTL-UHFFFAOYSA-N 0 0 191.255 1.958 10 0 ADAERN CC(=O)CCC(=O)N1CC[C@@H](C)[C@H]1C 336439882 171218008 /nfs/dbraw/zinc/21/80/08/171218008.db2.gz CERJNYDPZZMXJL-PSASIEDQSA-N 0 0 197.278 1.613 10 0 ADAERN CN(C)C(=O)C1CCC(F)(F)CC1 127102186 171218223 /nfs/dbraw/zinc/21/82/23/171218223.db2.gz PJOCCGUBDHDWEU-UHFFFAOYSA-N 0 0 191.221 1.900 10 0 ADAERN S=c1cc(-c2ccncc2)nc[nH]1 45956074 171218383 /nfs/dbraw/zinc/21/83/83/171218383.db2.gz DXQNAEFSFNXQOV-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1cc(-c2cccnc2)nc[nH]1 45956076 171218416 /nfs/dbraw/zinc/21/84/16/171218416.db2.gz BTZFWEIDZPWOEQ-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1cc(-c2ccccn2)nc[nH]1 45956078 171218525 /nfs/dbraw/zinc/21/85/25/171218525.db2.gz MQMDZSGHYRXKSM-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN Nc1[nH]nc2sc(=S)sc12 196183099 171218756 /nfs/dbraw/zinc/21/87/56/171218756.db2.gz FEHOPJKPNNDMCK-UHFFFAOYSA-N 0 0 189.290 1.998 10 0 ADAERN CC1(C)OC(C)(C)C(C)(C)[C@H]1O 196484789 171218802 /nfs/dbraw/zinc/21/88/02/171218802.db2.gz RKKMLTFKINJNPO-SSDOTTSWSA-N 0 0 172.268 1.961 10 0 ADAERN [NH2+]=C1CC(c2ccccc2)=C([O-])N1 196544330 171218812 /nfs/dbraw/zinc/21/88/12/171218812.db2.gz RBECMEOOHWUNAR-MRVPVSSYSA-N 0 0 174.203 1.058 10 0 ADAERN O=c1ccc(Cl)c2[nH]ccnc1-2 238717011 171218829 /nfs/dbraw/zinc/21/88/29/171218829.db2.gz MPUFHQXEKQRONK-UHFFFAOYSA-N 0 0 180.594 1.989 10 0 ADAERN CCCc1ncc(COCC)c(N)n1 238230782 171218830 /nfs/dbraw/zinc/21/88/30/171218830.db2.gz KLAQCQOVDIYGGT-UHFFFAOYSA-N 0 0 195.266 1.548 10 0 ADAERN CC1(C)OC2(CO)CCC1CC2 196738110 171218835 /nfs/dbraw/zinc/21/88/35/171218835.db2.gz VQVMQGQKIHRZQF-UHFFFAOYSA-N 0 0 170.252 1.717 10 0 ADAERN CC1(C)OC(C)(C)C(C)(C)[C@@H]1O 196484780 171218877 /nfs/dbraw/zinc/21/88/77/171218877.db2.gz RKKMLTFKINJNPO-ZETCQYMHSA-N 0 0 172.268 1.961 10 0 ADAERN [NH2+]=C1CC(c2ccccc2)=C([O-])N1 196544319 171218879 /nfs/dbraw/zinc/21/88/79/171218879.db2.gz RBECMEOOHWUNAR-QMMMGPOBSA-N 0 0 174.203 1.058 10 0 ADAERN c1ccc(CC2COC2)cc1 196384547 171218884 /nfs/dbraw/zinc/21/88/84/171218884.db2.gz BRIGAQYFVDOAOD-UHFFFAOYSA-N 0 0 148.205 1.876 10 0 ADAERN O=c1oc2c(O)cccc2cc1O 196163032 171218907 /nfs/dbraw/zinc/21/89/07/171218907.db2.gz OGKVQGBROCXRTC-UHFFFAOYSA-N 0 0 178.143 1.204 10 0 ADAERN COc1ccccc1NCC(C)=O 73630045 171218950 /nfs/dbraw/zinc/21/89/50/171218950.db2.gz BLTOCKUZVXQTPH-UHFFFAOYSA-N 0 0 179.219 1.696 10 0 ADAERN CC1(C)O[C@@H](CO)C1(C)C 196484445 171218961 /nfs/dbraw/zinc/21/89/61/171218961.db2.gz JKDKOQSRGRRGQO-LURJTMIESA-N 0 0 144.214 1.182 10 0 ADAERN CN1CCC2(CCCC2)C1=O 196548509 171218972 /nfs/dbraw/zinc/21/89/72/171218972.db2.gz XOTVYDQCDBLVSD-UHFFFAOYSA-N 0 0 153.225 1.409 10 0 ADAERN CC1(C)COCCCCC1=O 196971268 171219043 /nfs/dbraw/zinc/21/90/43/171219043.db2.gz KSAWYCFDNQATED-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN c1c[nH]c(SCc2c[nH]cn2)n1 196572979 171219154 /nfs/dbraw/zinc/21/91/54/171219154.db2.gz TWKURXZUIQDNDK-UHFFFAOYSA-N 0 0 180.236 1.425 10 0 ADAERN c1c[nH]c(-c2nnc3ncccc3n2)c1 196055383 171219164 /nfs/dbraw/zinc/21/91/64/171219164.db2.gz QXLVTASZNGJKNU-UHFFFAOYSA-N 0 0 197.201 1.415 10 0 ADAERN c1ccc(CN2CCCCN2)cc1 238014926 171219170 /nfs/dbraw/zinc/21/91/70/171219170.db2.gz MSNXEVITRULEGV-UHFFFAOYSA-N 0 0 176.263 1.787 10 0 ADAERN CC1(C)O[C@H](CO)C1(C)C 196484456 171219178 /nfs/dbraw/zinc/21/91/78/171219178.db2.gz JKDKOQSRGRRGQO-ZCFIWIBFSA-N 0 0 144.214 1.182 10 0 ADAERN CC1(C)O[C@@H]2CCCC[C@H]2C1=O 196907763 171219228 /nfs/dbraw/zinc/21/92/28/171219228.db2.gz PMVWNCVWJRDTAQ-HTQZYQBOSA-N 0 0 168.236 1.923 10 0 ADAERN CC1(C)O[C@@H]2CCCC[C@@H]2C1=O 196907777 171219233 /nfs/dbraw/zinc/21/92/33/171219233.db2.gz PMVWNCVWJRDTAQ-JGVFFNPUSA-N 0 0 168.236 1.923 10 0 ADAERN CCOC(=O)Cc1ccn(C)c1 195997684 171219292 /nfs/dbraw/zinc/21/92/92/171219292.db2.gz BJGXENPUOCVMRY-UHFFFAOYSA-N 0 0 167.208 1.131 10 0 ADAERN O=c1c(Cl)ccc2[nH]ccnc1-2 238720178 171219320 /nfs/dbraw/zinc/21/93/20/171219320.db2.gz SOFISYHHTUDNOH-UHFFFAOYSA-N 0 0 180.594 1.989 10 0 ADAERN CO[C@@H]1OC(C)(C)[C@@H]2C[C@H](O)C[C@@H]12 255967039 171219548 /nfs/dbraw/zinc/21/95/48/171219548.db2.gz CKPGMTKVOZUBTH-FNCVBFRFSA-N 0 0 186.251 1.155 10 0 ADAERN COC(=O)c1c(C(C)(C)C)n[nH]c1C 247997402 171219710 /nfs/dbraw/zinc/21/97/10/171219710.db2.gz AOZHPLOVPUDRKN-UHFFFAOYSA-N 0 0 196.250 1.802 10 0 ADAERN CCc1[nH]c(=O)c(CC)nc1Cl 75577436 171219772 /nfs/dbraw/zinc/21/97/72/171219772.db2.gz IMCBHMVZIAQUML-UHFFFAOYSA-N 0 0 186.642 1.548 10 0 ADAERN COC(=O)[C@H]1CN=C(C(C)C)C1 255993407 171219974 /nfs/dbraw/zinc/21/99/74/171219974.db2.gz OWWBVCJYMUEZAR-SSDOTTSWSA-N 0 0 169.224 1.276 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2COCC[C@H]2C1 256011840 171220183 /nfs/dbraw/zinc/22/01/83/171220183.db2.gz XSNGRDIXTFOFBK-AEJSXWLSSA-N 0 0 198.262 1.612 10 0 ADAERN O=C([O-])C=C1[C@@H]2CCC[C@H]1C[NH2+]C2 261508359 171220410 /nfs/dbraw/zinc/22/04/10/171220410.db2.gz RQRBBYLMYIKYRQ-OCAPTIKFSA-N 0 0 181.235 1.017 10 0 ADAERN Oc1c(F)c(O)c(F)c(O)c1F 79019669 171220482 /nfs/dbraw/zinc/22/04/82/171220482.db2.gz YTXCSSAQDRVYRH-UHFFFAOYSA-N 0 0 180.081 1.221 10 0 ADAERN O=C1C=C(c2ccc(O)cc2)CO1 1756889 171220665 /nfs/dbraw/zinc/22/06/65/171220665.db2.gz DEVVUXDUAVMAPN-UHFFFAOYSA-N 0 0 176.171 1.332 10 0 ADAERN C/C=C/C(=O)N1C(=O)OC[C@H]1C(C)C 2545369 171220681 /nfs/dbraw/zinc/22/06/81/171220681.db2.gz YZRHIMNEVFYTAJ-ZJELKQJVSA-N 0 0 197.234 1.566 10 0 ADAERN CCN1C(=O)C(Cl)=C(Cl)C1=O 1756265 171220688 /nfs/dbraw/zinc/22/06/88/171220688.db2.gz UNOAAQSLIJPNKG-UHFFFAOYSA-N 0 0 194.017 1.064 10 0 ADAERN Nc1ccc2[nH]cc(C=O)c2c1 2243489 171220770 /nfs/dbraw/zinc/22/07/70/171220770.db2.gz YIOOFSXXAVASGF-UHFFFAOYSA-N 0 0 160.176 1.563 10 0 ADAERN CCOC(=O)Cc1ccncc1CC 1734554 171220812 /nfs/dbraw/zinc/22/08/12/171220812.db2.gz SMBIZJHRHOBAGC-UHFFFAOYSA-N 0 0 193.246 1.750 10 0 ADAERN O=S1Cc2ccccc2C1 1734534 171220928 /nfs/dbraw/zinc/22/09/28/171220928.db2.gz YYVPARHZEAEOHF-UHFFFAOYSA-N 0 0 152.218 1.449 10 0 ADAERN CC1(C)COC(=O)N1Br 4521281 171220941 /nfs/dbraw/zinc/22/09/41/171220941.db2.gz UGTLNHLTOZDVCT-UHFFFAOYSA-N 0 0 194.028 1.527 10 0 ADAERN C[C@H]1CCOC(C)(C)O1 1732974 171221017 /nfs/dbraw/zinc/22/10/17/171221017.db2.gz JINWMPBLUUKRSV-LURJTMIESA-N 0 0 130.187 1.548 10 0 ADAERN OC1(C2=COCCO2)CCCCC1 1611704 171221174 /nfs/dbraw/zinc/22/11/74/171221174.db2.gz HKRIFSZXSLZQIE-UHFFFAOYSA-N 0 0 184.235 1.570 10 0 ADAERN O=C1CCS[C@@H](c2ccccc2)N1 1605154 171221214 /nfs/dbraw/zinc/22/12/14/171221214.db2.gz VZWNUWCMQQDYER-JTQLQIEISA-N 0 0 193.271 1.938 10 0 ADAERN O=c1nccc(Nc2ccccc2)[nH]1 1664332 171221221 /nfs/dbraw/zinc/22/12/21/171221221.db2.gz AXGVTUWIUMYUBE-UHFFFAOYSA-N 0 0 187.202 1.514 10 0 ADAERN Cc1ccc2[nH]cc(C(=O)CO)c2c1 3602489 171221225 /nfs/dbraw/zinc/22/12/25/171221225.db2.gz NZMUNVLKWOUXCE-UHFFFAOYSA-N 0 0 189.214 1.651 10 0 ADAERN CO[C@@H]1NC(=O)N(C(C)C)C1(C)C 5640054 171221501 /nfs/dbraw/zinc/22/15/01/171221501.db2.gz RMQSKLWOSPRKSM-ZETCQYMHSA-N 0 0 186.255 1.171 10 0 ADAERN BrC1=C[C@H]2O[C@H]2C=C1 5133096 171221566 /nfs/dbraw/zinc/22/15/66/171221566.db2.gz FVTNDWDQRAAPCD-NTSWFWBYSA-N 0 0 173.009 1.602 10 0 in-man,metabolite ADAERN Oc1cccc(C2N=N2)c1 6092462 171221581 /nfs/dbraw/zinc/22/15/81/171221581.db2.gz MWZWCPZDSXFZKF-UHFFFAOYSA-N 0 0 134.138 1.857 10 0 ADAERN BrC1=C[C@@H]2O[C@@H]2C=C1 5133103 171221602 /nfs/dbraw/zinc/22/16/02/171221602.db2.gz FVTNDWDQRAAPCD-RITPCOANSA-N 0 0 173.009 1.602 10 0 in-man,metabolite ADAERN O=C1CCS[C@H](c2ccccc2)N1 5607378 171221608 /nfs/dbraw/zinc/22/16/08/171221608.db2.gz VZWNUWCMQQDYER-SNVBAGLBSA-N 0 0 193.271 1.938 10 0 ADAERN CN1CCCCC1=S 5966369 171221630 /nfs/dbraw/zinc/22/16/30/171221630.db2.gz XFIZSHPTOGBACZ-UHFFFAOYSA-N 0 0 129.228 1.430 10 0 ADAERN C[C@H]1CCOC(=O)C(C)(C)C1 6037605 171221643 /nfs/dbraw/zinc/22/16/43/171221643.db2.gz JRFFZQFBDMFGRM-ZETCQYMHSA-N 0 0 156.225 1.986 10 0 ADAERN S=C1CC=CO1 5843179 171221645 /nfs/dbraw/zinc/22/16/45/171221645.db2.gz CMDKYFGIJALPLS-UHFFFAOYSA-N 0 0 100.142 1.568 10 0 ADAERN O=c1c(O)coc2ccccc12 5948584 171221652 /nfs/dbraw/zinc/22/16/52/171221652.db2.gz DCMHKQKYWBSFKE-UHFFFAOYSA-N 0 0 162.144 1.499 10 0 ADAERN O=c1oc2ccccc2s1 6118747 171221675 /nfs/dbraw/zinc/22/16/75/171221675.db2.gz HDNWKCSXXBAGHD-UHFFFAOYSA-N 0 0 152.174 1.855 10 0 ADAERN CN1C(=O)CC2(CCCCC2)CC1=O 4896431 171221730 /nfs/dbraw/zinc/22/17/30/171221730.db2.gz FMYGNGVTFGEBKO-UHFFFAOYSA-N 0 0 195.262 1.716 10 0 ADAERN O=c1c2ccccc2sn1CCO 6583571 171221737 /nfs/dbraw/zinc/22/17/37/171221737.db2.gz BKCDKWJRHGJSRF-UHFFFAOYSA-N 0 0 195.243 1.055 10 0 ADAERN CC1(C)COC(=O)N1Cl 5762386 171221788 /nfs/dbraw/zinc/22/17/88/171221788.db2.gz HUPNLWZFGMGNKB-UHFFFAOYSA-N 0 0 149.577 1.371 10 0 ADAERN O=[N+]([O-])N=c1[nH]c2ccccc2[nH]1 5776682 171221791 /nfs/dbraw/zinc/22/17/91/171221791.db2.gz NWJTXBGGRVFWTE-UHFFFAOYSA-N 0 0 178.151 1.167 10 0 ADAERN CCOC(=O)C[C@@H](O)c1ccco1 8227905 171221846 /nfs/dbraw/zinc/22/18/46/171221846.db2.gz RGJQSVMOPGCGFV-SSDOTTSWSA-N 0 0 184.191 1.266 10 0 ADAERN C[C@@H]1OC(Nc2ccccc2)=NC1=O 5760236 171221856 /nfs/dbraw/zinc/22/18/56/171221856.db2.gz IXOLDBJDCWLEQH-ZETCQYMHSA-N 0 0 190.202 1.400 10 0 ADAERN CN1CCCCCCC1=O 5966370 171221876 /nfs/dbraw/zinc/22/18/76/171221876.db2.gz IJRHFDHZRCNEJZ-UHFFFAOYSA-N 0 0 141.214 1.409 10 0 ADAERN C[C@@H]1CCOC(C)(C)O1 5217739 171221880 /nfs/dbraw/zinc/22/18/80/171221880.db2.gz JINWMPBLUUKRSV-ZCFIWIBFSA-N 0 0 130.187 1.548 10 0 ADAERN C[C@H]1CC[C@@H](C)N1N=O 5735736 171221903 /nfs/dbraw/zinc/22/19/03/171221903.db2.gz FRMDNAKEXMEBOM-OLQVQODUSA-N 0 0 128.175 1.541 10 0 ADAERN C[C@H]1CC(Cl)(Cl)C(=O)O1 6037375 171221985 /nfs/dbraw/zinc/22/19/85/171221985.db2.gz SCMRBPZKZXBCSP-VKHMYHEASA-N 0 0 169.007 1.496 10 0 ADAERN CC(=O)CSc1ccco1 5159712 171222000 /nfs/dbraw/zinc/22/20/00/171222000.db2.gz VMOQMRASANYFMP-UHFFFAOYSA-N 0 0 156.206 1.961 10 0 ADAERN CCN1C(=O)CCNc2ccccc21 4621050 171222029 /nfs/dbraw/zinc/22/20/29/171222029.db2.gz HSZLNPJAFSBTOE-UHFFFAOYSA-N 0 0 190.246 1.855 10 0 ADAERN O=c1c2ccccc2sn1CO 6583575 171222040 /nfs/dbraw/zinc/22/20/40/171222040.db2.gz CUNHGCGTIAEQRA-UHFFFAOYSA-N 0 0 181.216 1.013 10 0 ADAERN C/C=C/C(=O)N1CCCCC1 5132739 171222047 /nfs/dbraw/zinc/22/20/47/171222047.db2.gz DEHSTVNSEJEWPR-QHHAFSJGSA-N 0 0 153.225 1.575 10 0 ADAERN CCCc1ncc(C(N)=S)s1 82415562 171222168 /nfs/dbraw/zinc/22/21/68/171222168.db2.gz LRRGWRCXCOZQRH-UHFFFAOYSA-N 0 0 186.305 1.730 10 0 ADAERN CCCc1ncsc1C[NH3+] 82426324 171222228 /nfs/dbraw/zinc/22/22/28/171222228.db2.gz GAMUHOIYFWWNMQ-UHFFFAOYSA-N 0 0 156.254 1.554 10 0 ADAERN OC[C@@H]1C[C@@H]2C=C[C@H]1CC2 15022397 171222271 /nfs/dbraw/zinc/22/22/71/171222271.db2.gz KOCJWKFHBTXNJS-VGMNWLOBSA-N 0 0 138.210 1.581 10 0 ADAERN Oc1ccc(Nc2cncnc2)cc1 82714766 171222349 /nfs/dbraw/zinc/22/23/49/171222349.db2.gz WLDREWIRQHBESW-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN Nc1ccc(Cl)c2c1CCO2 82320403 171222381 /nfs/dbraw/zinc/22/23/81/171222381.db2.gz IRLAXRIWIHCTGZ-UHFFFAOYSA-N 0 0 169.611 1.857 10 0 ADAERN O=C1O[C@H](O)c2cc(F)cc(F)c21 82703149 171222423 /nfs/dbraw/zinc/22/24/23/171222423.db2.gz SECYGBUPKZCNNR-ZETCQYMHSA-N 0 0 186.113 1.126 10 0 ADAERN CCCc1ncc(C(N)=[NH2+])s1 82415563 171222508 /nfs/dbraw/zinc/22/25/08/171222508.db2.gz STUQTRMIJZTKBN-UHFFFAOYSA-N 0 0 169.253 1.380 10 0 ADAERN c1cncc(Nc2cncnc2)c1 82714513 171222549 /nfs/dbraw/zinc/22/25/49/171222549.db2.gz IITHGHRJGACZIF-UHFFFAOYSA-N 0 0 172.191 1.615 10 0 ADAERN C[C@@H]1OC(=O)CC[C@H]1C 14723427 171222555 /nfs/dbraw/zinc/22/25/55/171222555.db2.gz HAXARIVGMMVELD-RITPCOANSA-N 0 0 128.171 1.348 10 0 endogenous,in-man ADAERN O=C1O[C@@H](O)c2c(F)cc(F)cc21 82703147 171222562 /nfs/dbraw/zinc/22/25/62/171222562.db2.gz XRURQIMSJNHABG-MRVPVSSYSA-N 0 0 186.113 1.126 10 0 ADAERN Oc1cccc(Nc2cncnc2)c1 82714715 171222598 /nfs/dbraw/zinc/22/25/98/171222598.db2.gz HGYJZZMBZRZFGD-UHFFFAOYSA-N 0 0 187.202 1.926 10 0 ADAERN CC1(C)O[C@@]2(C)CC[C@@H]1C(=O)C2 13543108 171222616 /nfs/dbraw/zinc/22/26/16/171222616.db2.gz RFXTXEOQEMTRHL-XCBNKYQSSA-N 0 0 168.236 1.923 10 0 ADAERN CC(=O)OCC[NH2+]Cc1ccccc1 82690059 171222618 /nfs/dbraw/zinc/22/26/18/171222618.db2.gz BVWFQDRDIOUDHP-UHFFFAOYSA-N 0 0 193.246 1.339 10 0 ADAERN NC(=S)c1ccc2cccnc2c1 82769546 171222671 /nfs/dbraw/zinc/22/26/71/171222671.db2.gz PUTVYHYJNBADNL-UHFFFAOYSA-N 0 0 188.255 1.869 10 0 ADAERN O=C1O[C@@H](O)c2cc(F)cc(F)c21 82703148 171222676 /nfs/dbraw/zinc/22/26/76/171222676.db2.gz SECYGBUPKZCNNR-SSDOTTSWSA-N 0 0 186.113 1.126 10 0 ADAERN O=C1O[C@H](O)c2c(F)cc(F)cc21 82703146 171222684 /nfs/dbraw/zinc/22/26/84/171222684.db2.gz XRURQIMSJNHABG-QMMMGPOBSA-N 0 0 186.113 1.126 10 0 ADAERN c1cncc(CCc2c[nH]cn2)c1 13560685 171222698 /nfs/dbraw/zinc/22/26/98/171222698.db2.gz AUCZZMVMIXBWEJ-UHFFFAOYSA-N 0 0 173.219 1.590 10 0 ADAERN CO[C@@H]1OC(=O)c2c(O)cccc21 15217463 171222743 /nfs/dbraw/zinc/22/27/43/171222743.db2.gz JDICZELAXBTHLX-SECBINFHSA-N 0 0 180.159 1.208 10 0 ADAERN BrC1=CCOCOC1 15042936 171222758 /nfs/dbraw/zinc/22/27/58/171222758.db2.gz PWWSSTBBAFVUNQ-UHFFFAOYSA-N 0 0 179.013 1.270 10 0 ADAERN C=Cc1c[nH]c(=S)o1 13542976 171222773 /nfs/dbraw/zinc/22/27/73/171222773.db2.gz TUUZNVBKGBDDJQ-UHFFFAOYSA-N 0 0 127.168 1.980 10 0 ADAERN CC1(C)COC(c2ccco2)=N1 15780128 171222915 /nfs/dbraw/zinc/22/29/15/171222915.db2.gz XYEWHLMAKXTZER-UHFFFAOYSA-N 0 0 165.192 1.835 10 0 ADAERN c1ccc(C(N2CC2)N2CC2)cc1 19322534 171223074 /nfs/dbraw/zinc/22/30/74/171223074.db2.gz YFSKMMDACCWCDA-UHFFFAOYSA-N 0 0 174.247 1.316 10 0 ADAERN S=c1[nH]cnc2ncccc12 16954106 171223139 /nfs/dbraw/zinc/22/31/39/171223139.db2.gz LQDZBRVMVSRDTC-UHFFFAOYSA-N 0 0 163.205 1.314 10 0 ADAERN NC(=S)/C=C/c1ccco1 83339586 171223154 /nfs/dbraw/zinc/22/31/54/171223154.db2.gz UYIWKECNJOTRJQ-ONEGZZNKSA-N 0 0 153.206 1.579 10 0 ADAERN O=c1c(CCO)c[nH]c2ccccc12 84741376 171223231 /nfs/dbraw/zinc/22/32/31/171223231.db2.gz LQALMBSSBPQMOY-UHFFFAOYSA-N 0 0 189.214 1.063 10 0 ADAERN O=C([O-])C1([NH+]2CCCCC2)CC1 83822748 171223352 /nfs/dbraw/zinc/22/33/52/171223352.db2.gz XFXHVSKGMHOVBR-UHFFFAOYSA-N 0 0 169.224 1.090 10 0 ADAERN NOCc1ccsc1 86335236 171223474 /nfs/dbraw/zinc/22/34/74/171223474.db2.gz NAIQVGKZSPBANV-UHFFFAOYSA-N 0 0 129.184 1.138 10 0 ADAERN OC1(C2=CCCCO2)CC1 90697965 171224013 /nfs/dbraw/zinc/22/40/13/171224013.db2.gz CTGJDQDLLKFJTB-UHFFFAOYSA-N 0 0 140.182 1.206 10 0 ADAERN OC/C=C/c1cncs1 90162580 171224031 /nfs/dbraw/zinc/22/40/31/171224031.db2.gz GJZOOVBWXNLVEP-OWOJBTEDSA-N 0 0 141.195 1.149 10 0 ADAERN COc1ccc2c(=O)cc[nH]c2c1C 90375686 171224081 /nfs/dbraw/zinc/22/40/81/171224081.db2.gz AQGGIDFODMQYMY-UHFFFAOYSA-N 0 0 189.214 1.845 10 0 ADAERN O=c1oc(=O)c2ccc(Cl)cc2o1 90493904 171224122 /nfs/dbraw/zinc/22/41/22/171224122.db2.gz FFMWWTOMHCOWJG-UHFFFAOYSA-N 0 0 198.561 1.400 10 0 ADAERN CC/C=C/[C@@H]1COC(=O)N1 90372581 171224186 /nfs/dbraw/zinc/22/41/86/171224186.db2.gz OATSGBKJUGFTBP-FCJGRKLLSA-N 0 0 141.170 1.061 10 0 ADAERN COc1ccc2c(=O)[nH]cnc2c1C 90375683 171224199 /nfs/dbraw/zinc/22/41/99/171224199.db2.gz PGRJUTLFMUYRKN-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN Nc1c(C=O)ccc2ncccc12 90669328 171224266 /nfs/dbraw/zinc/22/42/66/171224266.db2.gz YLWGDKIEBOANDX-UHFFFAOYSA-N 0 0 172.187 1.630 10 0 ADAERN CC/C=C/[C@H]1COC(=O)N1 90372583 171224270 /nfs/dbraw/zinc/22/42/70/171224270.db2.gz OATSGBKJUGFTBP-YUDCMIJISA-N 0 0 141.170 1.061 10 0 ADAERN O=C1C=N[C@@H](c2ccccc2)CO1 90662923 171224326 /nfs/dbraw/zinc/22/43/26/171224326.db2.gz DINGSFSTMYUIAU-SECBINFHSA-N 0 0 175.187 1.355 10 0 ADAERN OC[C@@H]1CO[C@H](C2CCCCC2)O1 90728355 171224556 /nfs/dbraw/zinc/22/45/56/171224556.db2.gz ACCUFFZLBSXRTL-ZJUUUORDSA-N 0 0 186.251 1.301 10 0 ADAERN C=Cc1cc(N(C)C)nc(SC)n1 90735190 171224606 /nfs/dbraw/zinc/22/46/06/171224606.db2.gz AAXJIMWLUUMSLD-UHFFFAOYSA-N 0 0 195.291 1.908 10 0 ADAERN COc1ccc2[nH]c(NC#N)nc2c1 95924500 171224613 /nfs/dbraw/zinc/22/46/13/171224613.db2.gz VKFHHTRYJKIPQX-UHFFFAOYSA-N 0 0 188.190 1.464 10 0 ADAERN OC[C@H]1CO[C@H](c2ccccc2)C1 90728327 171224648 /nfs/dbraw/zinc/22/46/48/171224648.db2.gz LYJVQHMJWKZFCK-ONGXEEELSA-N 0 0 178.231 1.757 10 0 ADAERN CC1(C)OC(=O)c2c(O)cccc2O1 21986939 171224650 /nfs/dbraw/zinc/22/46/50/171224650.db2.gz GCOZFWFNEBPOJF-UHFFFAOYSA-N 0 0 194.186 1.678 10 0 ADAERN 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149591596 344068161 /nfs/dbraw/zinc/06/81/61/344068161.db2.gz LUIZXYFGHDZTAS-YFKPBYRVSA-N 0 0 183.642 1.961 10 0 ADAERN CC(C)CC(=O)N(C)[C@@H]1CCOC1 149594108 344068165 /nfs/dbraw/zinc/06/81/65/344068165.db2.gz GSUMVPNBPMSVCL-SECBINFHSA-N 0 0 185.267 1.280 10 0 ADAERN Clc1cnc2c(c1)NCCCN2 149591260 344068168 /nfs/dbraw/zinc/06/81/68/344068168.db2.gz PNAVHTXUJPFLMI-UHFFFAOYSA-N 0 0 183.642 1.963 10 0 ADAERN Cc1cn(N2CCCCC2)c(=S)[nH]1 149583690 344068172 /nfs/dbraw/zinc/06/81/72/344068172.db2.gz HOZJSKUZXNHIDC-UHFFFAOYSA-N 0 0 197.307 1.602 10 0 ADAERN Cc1cnc(Cl)nc1NN(C)C 149617399 344068731 /nfs/dbraw/zinc/06/87/31/344068731.db2.gz HCYFDYLNZDYSFL-UHFFFAOYSA-N 0 0 186.646 1.327 10 0 ADAERN Cc1cc(NN(C)C)nc(Cl)n1 149622671 344068732 /nfs/dbraw/zinc/06/87/32/344068732.db2.gz VIULEZSEIFBTOA-UHFFFAOYSA-N 0 0 186.646 1.327 10 0 ADAERN CCC(=O)NCc1cccc(F)c1F 149624072 344068735 /nfs/dbraw/zinc/06/87/35/344068735.db2.gz HSIVHJIQFLOUHE-UHFFFAOYSA-N 0 0 199.200 1.991 10 0 ADAERN C[C@@H]1CNc2cc(Cl)cnc2N1C 149603023 344068736 /nfs/dbraw/zinc/06/87/36/344068736.db2.gz YSNBARKKYQXEHX-ZCFIWIBFSA-N 0 0 197.669 1.985 10 0 ADAERN C[C@H]1CNc2cc(Cl)cnc2N1C 149603248 344068737 /nfs/dbraw/zinc/06/87/37/344068737.db2.gz YSNBARKKYQXEHX-LURJTMIESA-N 0 0 197.669 1.985 10 0 ADAERN CN(C)Nc1nc(Cl)ncc1F 149618635 344068740 /nfs/dbraw/zinc/06/87/40/344068740.db2.gz ZFXQMAFRUPDTME-UHFFFAOYSA-N 0 0 190.609 1.158 10 0 ADAERN CN1CCCNc2cc(Cl)cnc21 149608029 344068744 /nfs/dbraw/zinc/06/87/44/344068744.db2.gz KYOMDCWRWRXQKF-UHFFFAOYSA-N 0 0 197.669 1.987 10 0 ADAERN CN(C#N)C1CCCCC1 149628995 344068746 /nfs/dbraw/zinc/06/87/46/344068746.db2.gz BQAZGOZHNTVXSD-UHFFFAOYSA-N 0 0 138.214 1.732 10 0 ADAERN CN(C)Nc1cccc(F)n1 149619839 344068752 /nfs/dbraw/zinc/06/87/52/344068752.db2.gz UKSHSORZYJUDFK-UHFFFAOYSA-N 0 0 155.176 1.109 10 0 ADAERN CCN1CCNc2cc(Cl)cnc21 149603446 344068769 /nfs/dbraw/zinc/06/87/69/344068769.db2.gz ZJPGWDRMPRQIIB-UHFFFAOYSA-N 0 0 197.669 1.987 10 0 ADAERN Cc1ccccc1C(=O)C(C)(C)O 149627091 344068777 /nfs/dbraw/zinc/06/87/77/344068777.db2.gz WOSSHYZFXAMNCT-UHFFFAOYSA-N 0 0 178.231 1.949 10 0 ADAERN Cc1cnn(C[C@@H]2CC[C@H](C)O2)c1N 149666794 344069466 /nfs/dbraw/zinc/06/94/66/344069466.db2.gz RVCHOOOLBJMFJM-IUCAKERBSA-N 0 0 195.266 1.341 10 0 ADAERN C[C@@H](O)c1cnc2cc(N)ccc2c1 149667884 344069472 /nfs/dbraw/zinc/06/94/72/344069472.db2.gz RNMHETKYZJVHRX-SSDOTTSWSA-N 0 0 188.230 1.870 10 0 ADAERN Cc1ccccc1CNc1nc[nH]n1 20879885 171213648 /nfs/dbraw/zinc/21/36/48/171213648.db2.gz VKNXKOCYHNLWMS-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN C[C@H]1CC[C@H](c2ncc(CO)s2)O1 150185370 344077808 /nfs/dbraw/zinc/07/78/08/344077808.db2.gz MFXIHYLVERBTLC-POYBYMJQSA-N 0 0 199.275 1.875 10 0 ADAERN C[C@H](O)c1cnc2cc(N)ccc2c1 149668005 344069630 /nfs/dbraw/zinc/06/96/30/344069630.db2.gz RNMHETKYZJVHRX-ZETCQYMHSA-N 0 0 188.230 1.870 10 0 ADAERN COc1cc(C)cc(C=O)c1[N+](=O)[O-] 149776002 344070792 /nfs/dbraw/zinc/07/07/92/344070792.db2.gz YQCUYMXGIVMKNZ-UHFFFAOYSA-N 0 0 195.174 1.724 10 0 ADAERN CC(=O)Nc1cccc2c1CN(C)C2 149768030 344070844 /nfs/dbraw/zinc/07/08/44/344070844.db2.gz BGTICVZDBAEZDZ-UHFFFAOYSA-N 0 0 190.246 1.590 10 0 ADAERN Fc1cc(OCc2ccco2)ncn1 149877697 344072807 /nfs/dbraw/zinc/07/28/07/344072807.db2.gz MXBNMPUUUWGXMM-UHFFFAOYSA-N 0 0 194.165 1.788 10 0 ADAERN Fc1cc(OCC2CC2)ncn1 149884113 344072884 /nfs/dbraw/zinc/07/28/84/344072884.db2.gz VWGRZNOHNOZYAS-UHFFFAOYSA-N 0 0 168.171 1.405 10 0 ADAERN CNc1cc(C)c(F)cc1N 149908522 344073133 /nfs/dbraw/zinc/07/31/33/344073133.db2.gz OQVKPZLYHWEJOB-UHFFFAOYSA-N 0 0 154.188 1.758 10 0 ADAERN C[C@@H](CO)[C@@H](O)/C=C/c1ccccc1 149915045 344073308 /nfs/dbraw/zinc/07/33/08/344073308.db2.gz JNFCGBNYOJIKHB-HUAGXHDJSA-N 0 0 192.258 1.689 10 0 ADAERN Cc1c(C#N)nc2ccc(Cl)nn12 149925569 344073754 /nfs/dbraw/zinc/07/37/54/344073754.db2.gz KAGJWTSVKDHCTI-UHFFFAOYSA-N 0 0 192.609 1.563 10 0 ADAERN O=c1[nH]c(NCc2ccon2)cs1 149932792 344073943 /nfs/dbraw/zinc/07/39/43/344073943.db2.gz LMTNNNMMQGNQQI-UHFFFAOYSA-N 0 0 197.219 1.030 10 0 ADAERN CCc1ncccc1OCOC 149969105 344074285 /nfs/dbraw/zinc/07/42/85/344074285.db2.gz MASXPTBPDFZXJK-UHFFFAOYSA-N 0 0 167.208 1.627 10 0 ADAERN CCN(c1cc(F)ncn1)C1CC1 149971932 344074293 /nfs/dbraw/zinc/07/42/93/344074293.db2.gz PLTJXMMOCVELPY-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN CCN(C)c1cc(F)ncn1 149971712 344074295 /nfs/dbraw/zinc/07/42/95/344074295.db2.gz ZSIIMYZERWUVAF-UHFFFAOYSA-N 0 0 155.176 1.072 10 0 ADAERN CCCCNc1cc(F)ncn1 149960682 344074415 /nfs/dbraw/zinc/07/44/15/344074415.db2.gz CZGKUCXWEJNQFQ-UHFFFAOYSA-N 0 0 169.203 1.828 10 0 ADAERN Cc1cc2c(n1N(C)C)CCCC2=O 150034351 344075603 /nfs/dbraw/zinc/07/56/03/344075603.db2.gz CKHSGGATZYWCKW-UHFFFAOYSA-N 0 0 192.262 1.513 10 0 ADAERN COCC(=O)c1cc(F)ccc1N 150032279 344075624 /nfs/dbraw/zinc/07/56/24/344075624.db2.gz BPMXJTKLCWKABN-UHFFFAOYSA-N 0 0 183.182 1.237 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cc(F)ncn1 150068313 344076126 /nfs/dbraw/zinc/07/61/26/344076126.db2.gz HUYGMOISGWVQFZ-WDSKDSINSA-N 0 0 167.187 1.436 10 0 ADAERN C[C@H]1CC[C@@H](c2nc(CO)c[nH]2)O1 150069614 344076240 /nfs/dbraw/zinc/07/62/40/344076240.db2.gz XHWPBOOKBZZPKT-XPUUQOCRSA-N 0 0 182.223 1.142 10 0 ADAERN C[C@H]1C(C(N)=O)=Cc2ccccc21 150113820 344076536 /nfs/dbraw/zinc/07/65/36/344076536.db2.gz DUBAVWUORMVTTO-SSDOTTSWSA-N 0 0 173.215 1.672 10 0 ADAERN COC[C@@](C)(O)c1ccc(F)cn1 150108532 344076566 /nfs/dbraw/zinc/07/65/66/344076566.db2.gz XHHHWLQBVOJILG-SECBINFHSA-N 0 0 185.198 1.075 10 0 ADAERN CC(C)Nc1ccc(CO)cc1 150329423 344080076 /nfs/dbraw/zinc/08/00/76/344080076.db2.gz KYNQLSCNLGCZKE-UHFFFAOYSA-N 0 0 165.236 1.999 10 0 ADAERN O=Cc1cc(-c2ccc(F)cn2)[nH]n1 150330040 344080373 /nfs/dbraw/zinc/08/03/73/344080373.db2.gz RBQOQGVESPHJQS-UHFFFAOYSA-N 0 0 191.165 1.423 10 0 ADAERN Cn1ccnc1C(=O)C(F)(F)Cl 156174982 344081071 /nfs/dbraw/zinc/08/10/71/344081071.db2.gz JBGYZFYFLDPJGS-UHFFFAOYSA-N 0 0 194.568 1.434 10 0 ADAERN FC1(c2ccco2)CNC1 156392928 344085142 /nfs/dbraw/zinc/08/51/42/344085142.db2.gz VNPHMQDFXXXUAF-UHFFFAOYSA-N 0 0 141.145 1.048 10 0 ADAERN C[C@@H](CO)c1ccc(F)cn1 156538684 344090414 /nfs/dbraw/zinc/09/04/14/344090414.db2.gz BLZAHLVLJLORKI-LURJTMIESA-N 0 0 155.172 1.317 10 0 ADAERN O[C@H](c1cncc(F)c1)C(F)F 156669030 344093475 /nfs/dbraw/zinc/09/34/75/344093475.db2.gz NKXJCLMFYXPUHF-ZCFIWIBFSA-N 0 0 177.125 1.519 10 0 ADAERN O[C@@H](Cc1nccs1)C(F)F 156658322 344093477 /nfs/dbraw/zinc/09/34/77/344093477.db2.gz LLSRWQUCAFPWKR-BYPYZUCNSA-N 0 0 179.191 1.312 10 0 ADAERN O[C@@H](c1cncc(F)c1)C(F)F 156668897 344093480 /nfs/dbraw/zinc/09/34/80/344093480.db2.gz NKXJCLMFYXPUHF-LURJTMIESA-N 0 0 177.125 1.519 10 0 ADAERN O[C@H](Cc1nccs1)C(F)F 156658418 344093482 /nfs/dbraw/zinc/09/34/82/344093482.db2.gz LLSRWQUCAFPWKR-SCSAIBSYSA-N 0 0 179.191 1.312 10 0 ADAERN Cn1nccc1[C@H](O)C(F)(F)Cl 156649639 344093489 /nfs/dbraw/zinc/09/34/89/344093489.db2.gz LAPQIIZABVVTKM-YFKPBYRVSA-N 0 0 196.584 1.285 10 0 ADAERN CCCn1ncc2c(NN)ccnc21 156676663 344093492 /nfs/dbraw/zinc/09/34/92/344093492.db2.gz JLPLGEIXRZAUHP-UHFFFAOYSA-N 0 0 191.238 1.127 10 0 ADAERN CCn1nccc1[C@H](O)C(F)F 156660787 344093493 /nfs/dbraw/zinc/09/34/93/344093493.db2.gz RUGNDDZNZYMGMT-LURJTMIESA-N 0 0 176.166 1.202 10 0 ADAERN Cn1cc([C@@H](O)C(F)(F)Cl)cn1 156655221 344093495 /nfs/dbraw/zinc/09/34/95/344093495.db2.gz XNMLZGGPGYSDFT-RXMQYKEDSA-N 0 0 196.584 1.285 10 0 ADAERN O[C@@H](Cc1ccco1)C(F)F 156667534 344093499 /nfs/dbraw/zinc/09/34/99/344093499.db2.gz IIARSMMPRGAODL-LURJTMIESA-N 0 0 162.135 1.448 10 0 ADAERN CCOC[C@@H](O)C(F)(F)Cl 156645436 344093500 /nfs/dbraw/zinc/09/35/00/344093500.db2.gz TUKITNIJWODESE-SCSAIBSYSA-N 0 0 174.574 1.215 10 0 ADAERN Cn1ccnc1Cc1ccc(O)cc1 156643759 344093505 /nfs/dbraw/zinc/09/35/05/344093505.db2.gz NUGJXEZQLMZZFG-UHFFFAOYSA-N 0 0 188.230 1.717 10 0 ADAERN Oc1cc(F)ccc1-c1cncnc1 156700175 344094008 /nfs/dbraw/zinc/09/40/08/344094008.db2.gz AHOIFXSKWSGYST-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Oc1cc(F)cc(-c2cncnc2)c1 156700016 344094057 /nfs/dbraw/zinc/09/40/57/344094057.db2.gz ZGLXJKVNZWAVSM-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN CC[C@H](NO)c1ccc(F)cn1 156682922 344094138 /nfs/dbraw/zinc/09/41/38/344094138.db2.gz YYZYUWFNIPJVRG-ZETCQYMHSA-N 0 0 170.187 1.651 10 0 ADAERN Cc1cc(-c2cnn(C)c2)c[nH]c1=O 156689440 344094145 /nfs/dbraw/zinc/09/41/45/344094145.db2.gz XIBAYEUVTWJTAJ-UHFFFAOYSA-N 0 0 189.218 1.084 10 0 ADAERN Cc1cc(-c2cncnc2)c[nH]c1=O 156701365 344094152 /nfs/dbraw/zinc/09/41/52/344094152.db2.gz XJBAREAQTHJGLU-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Oc1cccnc1-c1cncnc1 156701216 344094154 /nfs/dbraw/zinc/09/41/54/344094154.db2.gz XFTMUVLXGJTVQL-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN CCN1CCc2c(C=O)csc2C1 156704637 344094157 /nfs/dbraw/zinc/09/41/57/344094157.db2.gz GLFNTWRGBFCRQL-UHFFFAOYSA-N 0 0 195.287 1.939 10 0 ADAERN Cn1cc(-c2cc(O)cc(F)c2)cn1 156687980 344094170 /nfs/dbraw/zinc/09/41/70/344094170.db2.gz WZDUSAFDXDQZOB-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN OCc1nc(F)ccc1Cl 156746009 344094714 /nfs/dbraw/zinc/09/47/14/344094714.db2.gz BZMORHYFTCHVHD-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN Oc1cncc(-c2cnccn2)c1 156753908 344094731 /nfs/dbraw/zinc/09/47/31/344094731.db2.gz TXOLUDXZWTVPEO-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Cc1cc(-c2ccoc2)c[nH]c1=O 156736045 344094745 /nfs/dbraw/zinc/09/47/45/344094745.db2.gz SZJHAWRMCGACPQ-UHFFFAOYSA-N 0 0 175.187 1.943 10 0 ADAERN OCc1nc(F)c(F)cc1Cl 156751119 344094756 /nfs/dbraw/zinc/09/47/56/344094756.db2.gz VGFVMXTUJQVTDS-UHFFFAOYSA-N 0 0 179.553 1.506 10 0 ADAERN Cc1cc(-c2ccco2)c[nH]c1=O 156736880 344094759 /nfs/dbraw/zinc/09/47/59/344094759.db2.gz VMIQFCVCURSSLR-UHFFFAOYSA-N 0 0 175.187 1.943 10 0 ADAERN Cc1cc(CC(C)C)c[nH]c1=O 156761869 344095235 /nfs/dbraw/zinc/09/52/35/344095235.db2.gz GVEAPBQTAUPYFV-UHFFFAOYSA-N 0 0 165.236 1.882 10 0 ADAERN Cc1cc(-c2cnccn2)c[nH]c1=O 156754960 344095244 /nfs/dbraw/zinc/09/52/44/344095244.db2.gz UFYKZHDFDXIAQM-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CCCC(=O)Nc1cc(CC)[nH]n1 156981066 344098435 /nfs/dbraw/zinc/09/84/35/344098435.db2.gz FGLHSYMFUQNJDR-UHFFFAOYSA-N 0 0 181.239 1.711 10 0 ADAERN CC(C)(CO)Cc1cncs1 157050513 344099489 /nfs/dbraw/zinc/09/94/89/344099489.db2.gz VXWDMHNEBZYRGO-UHFFFAOYSA-N 0 0 171.265 1.704 10 0 ADAERN C[C@H](O)CCc1cncs1 157014532 344099493 /nfs/dbraw/zinc/09/94/93/344099493.db2.gz VNMBFLXEFAZKDE-LURJTMIESA-N 0 0 157.238 1.457 10 0 ADAERN O[C@@H]1CC[C@H](Cc2cncs2)C1 157040968 344099524 /nfs/dbraw/zinc/09/95/24/344099524.db2.gz GQOSBDXOUCWNPN-JGVFFNPUSA-N 0 0 183.276 1.847 10 0 ADAERN O[C@@H]1CC[C@@H](Cc2cncs2)C1 157040811 344099541 /nfs/dbraw/zinc/09/95/41/344099541.db2.gz GQOSBDXOUCWNPN-HTQZYQBOSA-N 0 0 183.276 1.847 10 0 ADAERN O[C@H]1CC[C@H](Cc2cncs2)C1 157040668 344099542 /nfs/dbraw/zinc/09/95/42/344099542.db2.gz GQOSBDXOUCWNPN-YUMQZZPRSA-N 0 0 183.276 1.847 10 0 ADAERN C[C@H](CO)Cc1cncs1 157050989 344099543 /nfs/dbraw/zinc/09/95/43/344099543.db2.gz YLQULQYYOXKNGT-LURJTMIESA-N 0 0 157.238 1.314 10 0 ADAERN Clc1noc(-c2csnn2)n1 156589028 344091463 /nfs/dbraw/zinc/09/14/63/344091463.db2.gz OXFSEOUCHASFCZ-UHFFFAOYSA-N 0 0 188.599 1.242 10 0 ADAERN FC(F)(F)Cc1nc(Cl)no1 156596642 344092303 /nfs/dbraw/zinc/09/23/03/344092303.db2.gz AMVCIOZLKOFERK-UHFFFAOYSA-N 0 0 186.520 1.828 10 0 ADAERN CCn1ccnc1-c1ccc(O)cn1 156622099 344092767 /nfs/dbraw/zinc/09/27/67/344092767.db2.gz RXNDZIAZQCNZLR-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN Oc1ccc(Cc2nccs2)nc1 156629071 344092850 /nfs/dbraw/zinc/09/28/50/344092850.db2.gz MPCVQACMSSCNON-UHFFFAOYSA-N 0 0 192.243 1.835 10 0 ADAERN Nc1ncccc1C(=O)C(F)F 156626494 344092860 /nfs/dbraw/zinc/09/28/60/344092860.db2.gz UIINXLSZFTVWFA-UHFFFAOYSA-N 0 0 172.134 1.112 10 0 ADAERN Cn1nccc1-c1ccc(O)cn1 156621687 344092863 /nfs/dbraw/zinc/09/28/63/344092863.db2.gz LNNOBWDQBVDPEE-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN O=C(c1cnccn1)C(F)(F)Cl 156636782 344092866 /nfs/dbraw/zinc/09/28/66/344092866.db2.gz YYSMENJFPHXVFT-UHFFFAOYSA-N 0 0 192.552 1.491 10 0 ADAERN COCC(=O)C(F)(F)Cl 156632028 344092879 /nfs/dbraw/zinc/09/28/79/344092879.db2.gz AXRQYJIQVHTARR-UHFFFAOYSA-N 0 0 158.531 1.034 10 0 ADAERN O=C(c1cncnc1)C(F)(F)Cl 156638269 344092881 /nfs/dbraw/zinc/09/28/81/344092881.db2.gz ZERLTIJBYYZFSR-UHFFFAOYSA-N 0 0 192.552 1.491 10 0 ADAERN CSc1c(N)cccc1C(N)=O 156670976 344093342 /nfs/dbraw/zinc/09/33/42/344093342.db2.gz WJUUXSBIZAEKLZ-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN Cn1ccnc1[C@@H](O)C(F)(F)Cl 156647584 344093418 /nfs/dbraw/zinc/09/34/18/344093418.db2.gz YRJHKLLBKZGQRO-SCSAIBSYSA-N 0 0 196.584 1.285 10 0 ADAERN Cn1nccc1[C@@H](O)C(F)(F)Cl 156649774 344093443 /nfs/dbraw/zinc/09/34/43/344093443.db2.gz LAPQIIZABVVTKM-RXMQYKEDSA-N 0 0 196.584 1.285 10 0 ADAERN Cc1cncc([C@H](O)C(F)F)c1 156656768 344093471 /nfs/dbraw/zinc/09/34/71/344093471.db2.gz OMHFLKHTLLJXPQ-ZETCQYMHSA-N 0 0 173.162 1.689 10 0 ADAERN COc1c(N)ccc2n[nH]cc12 157060705 344100041 /nfs/dbraw/zinc/10/00/41/344100041.db2.gz PIPUMFNBHPOXQV-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN CCOCc1cc(N)cc(F)c1 157066962 344100048 /nfs/dbraw/zinc/10/00/48/344100048.db2.gz RLLZEINASMZYTA-UHFFFAOYSA-N 0 0 169.199 1.944 10 0 ADAERN CCc1cc(NC(=O)[C@H](C)CC)n[nH]1 157070061 344100055 /nfs/dbraw/zinc/10/00/55/344100055.db2.gz ZJQLPQHRONUIIU-SSDOTTSWSA-N 0 0 195.266 1.957 10 0 ADAERN CCOc1c(N)ccc2n[nH]cc12 157060849 344100062 /nfs/dbraw/zinc/10/00/62/344100062.db2.gz CODRENZNOFUATM-UHFFFAOYSA-N 0 0 177.207 1.544 10 0 ADAERN Cc1c[nH]nc1NC(=O)C1CCC1 157173891 344101038 /nfs/dbraw/zinc/10/10/38/344101038.db2.gz JROKHYNTQYDBAS-UHFFFAOYSA-N 0 0 179.223 1.457 10 0 ADAERN Cc1c[nH]nc1NC(=O)[C@@H]1C[C@H]1C 157184428 344101057 /nfs/dbraw/zinc/10/10/57/344101057.db2.gz UFLMOZQEESGCJL-IYSWYEEDSA-N 0 0 179.223 1.313 10 0 ADAERN Cc1c[nH]nc1NC(=O)[C@@H]1C[C@@H]1C 157184150 344101064 /nfs/dbraw/zinc/10/10/64/344101064.db2.gz UFLMOZQEESGCJL-CAHLUQPWSA-N 0 0 179.223 1.313 10 0 ADAERN Cc1c[nH]nc1NC(=O)[C@H]1C[C@@H]1C 157184305 344101071 /nfs/dbraw/zinc/10/10/71/344101071.db2.gz UFLMOZQEESGCJL-FSPLSTOPSA-N 0 0 179.223 1.313 10 0 ADAERN O=C1CC[C@H](Cc2cccnc2)C1 157245991 344102142 /nfs/dbraw/zinc/10/21/42/344102142.db2.gz ABHWMBYLTRAAQB-SECBINFHSA-N 0 0 175.231 1.993 10 0 ADAERN CC[C@H]1CCCCCN1C(=O)COC 157237588 344102181 /nfs/dbraw/zinc/10/21/81/344102181.db2.gz KVDSIGRTKCXKLA-JTQLQIEISA-N 0 0 199.294 1.814 10 0 ADAERN C[C@@H](C[C@@H](C)O)N1CCCCC1=O 157236488 344102185 /nfs/dbraw/zinc/10/21/85/344102185.db2.gz SGINOTOMDYRWLS-DTWKUNHWSA-N 0 0 185.267 1.158 10 0 ADAERN CC[C@@H]1CCCCCN1C(=O)COC 157237440 344102199 /nfs/dbraw/zinc/10/21/99/344102199.db2.gz KVDSIGRTKCXKLA-SNVBAGLBSA-N 0 0 199.294 1.814 10 0 ADAERN OCCSc1ncc(F)cc1F 157254954 344102200 /nfs/dbraw/zinc/10/22/00/344102200.db2.gz ANSMVCUOFPUMGI-UHFFFAOYSA-N 0 0 191.202 1.444 10 0 ADAERN O=C1CC[C@@H](Cc2cccnc2)C1 157245845 344102203 /nfs/dbraw/zinc/10/22/03/344102203.db2.gz ABHWMBYLTRAAQB-VIFPVBQESA-N 0 0 175.231 1.993 10 0 ADAERN Cc1c[nH]nc1NC(=O)C1CC=CC1 157251035 344102211 /nfs/dbraw/zinc/10/22/11/344102211.db2.gz IVGXIMOLZWJXSE-UHFFFAOYSA-N 0 0 191.234 1.623 10 0 ADAERN CC(=O)c1ccc(N)cc1N 157286118 344102746 /nfs/dbraw/zinc/10/27/46/344102746.db2.gz LDEYHTYHAWGIFG-UHFFFAOYSA-N 0 0 150.181 1.054 10 0 ADAERN CCc1c[nH]nc1NC(=O)C(C)C 157657919 344111475 /nfs/dbraw/zinc/11/14/75/344111475.db2.gz HILUESTULSRBQV-UHFFFAOYSA-N 0 0 181.239 1.567 10 0 ADAERN Cc1nc(CC2CCSCC2)n[nH]1 157658514 344111478 /nfs/dbraw/zinc/11/14/78/344111478.db2.gz IATBFBRFYRRPEX-UHFFFAOYSA-N 0 0 197.307 1.799 10 0 ADAERN C[C@@](O)(Cc1cccnc1)C1CC1 157070739 344099949 /nfs/dbraw/zinc/09/99/49/344099949.db2.gz LUMXZIHIEZZUCB-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN CCc1c[nH]nc1NC(=O)C1CC1 157660346 344111497 /nfs/dbraw/zinc/11/14/97/344111497.db2.gz KIHGNIZPNJIGGC-UHFFFAOYSA-N 0 0 179.223 1.321 10 0 ADAERN C[C@](O)(Cc1cccnc1)C1CC1 157070876 344100017 /nfs/dbraw/zinc/10/00/17/344100017.db2.gz LUMXZIHIEZZUCB-NSHDSACASA-N 0 0 177.247 1.785 10 0 ADAERN Cc1cc(N)cc(SCCO)c1 157070192 344100029 /nfs/dbraw/zinc/10/00/29/344100029.db2.gz NAEAKDJOIOJYIM-UHFFFAOYSA-N 0 0 183.276 1.662 10 0 ADAERN CCCOc1c(N)ccc2n[nH]cc12 157061521 344100030 /nfs/dbraw/zinc/10/00/30/344100030.db2.gz BRVVGNBZRGSGMV-UHFFFAOYSA-N 0 0 191.234 1.934 10 0 ADAERN CNc1cc(C)cc(N)c1 157068099 344100033 /nfs/dbraw/zinc/10/00/33/344100033.db2.gz SPBBWNIUVPZYPV-UHFFFAOYSA-N 0 0 136.198 1.619 10 0 ADAERN CSCC(=O)Nc1n[nH]c(C)c1C 157076121 344100036 /nfs/dbraw/zinc/10/00/36/344100036.db2.gz YVDIIZBFZBUFHX-UHFFFAOYSA-N 0 0 199.279 1.328 10 0 ADAERN Clc1nnc([C@H]2CCSC2)o1 157762926 344113942 /nfs/dbraw/zinc/11/39/42/344113942.db2.gz RBBXLKUVCASUDC-BYPYZUCNSA-N 0 0 190.655 1.944 10 0 ADAERN Cc1cc(-c2nnc(Cl)o2)n(C)n1 157756452 344113948 /nfs/dbraw/zinc/11/39/48/344113948.db2.gz HGHHHXBSALYGJU-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN c1cncc(O[C@H]2CCOC2)c1 157798417 344114132 /nfs/dbraw/zinc/11/41/32/344114132.db2.gz PNJGCSQXSFIINW-VIFPVBQESA-N 0 0 165.192 1.249 10 0 ADAERN COc1nc2c(F)c(F)ccc2[nH]1 157785757 344114215 /nfs/dbraw/zinc/11/42/15/344114215.db2.gz DJPYPOFQODUUQS-UHFFFAOYSA-N 0 0 184.145 1.850 10 0 ADAERN CNc1nccnc1[C@@H]1CCCOC1 157811544 344114882 /nfs/dbraw/zinc/11/48/82/344114882.db2.gz FUUZCJIVQOMAAP-MRVPVSSYSA-N 0 0 193.250 1.412 10 0 ADAERN CC1C[NH+]([C@H](C)[C@@H](C)C(=O)[O-])C1 157854299 344115734 /nfs/dbraw/zinc/11/57/34/344115734.db2.gz YCTZWCBTIAPIOS-HTQZYQBOSA-N 0 0 171.240 1.047 10 0 ADAERN COc1ccc([C@@H](F)C[NH3+])c(C)c1 158083393 344117934 /nfs/dbraw/zinc/11/79/34/344117934.db2.gz UXWFMOFRTCCSNA-JTQLQIEISA-N 0 0 183.226 1.973 10 0 ADAERN CCOc1cccc(C2(F)CNC2)c1 158115199 344119274 /nfs/dbraw/zinc/11/92/74/344119274.db2.gz JEGSOXNCAKEIMF-UHFFFAOYSA-N 0 0 195.237 1.853 10 0 ADAERN CCc1c[nH]nc1NC(=O)C1CCC1 157655265 344111500 /nfs/dbraw/zinc/11/15/00/344111500.db2.gz HUHXPMAJPSUHRP-UHFFFAOYSA-N 0 0 193.250 1.711 10 0 ADAERN CCCc1nc2c(c(=O)[nH]1)CSC2 157745846 344113202 /nfs/dbraw/zinc/11/32/02/344113202.db2.gz JSWRLXIEULKVHU-UHFFFAOYSA-N 0 0 196.275 1.469 10 0 ADAERN CC(C)C[C@@H](O)c1cnsn1 158200424 344121449 /nfs/dbraw/zinc/12/14/49/344121449.db2.gz QIGVOEWYXSAJHF-SSDOTTSWSA-N 0 0 172.253 1.618 10 0 ADAERN CCc1nnsc1C(=O)C(C)C 158248251 344122743 /nfs/dbraw/zinc/12/27/43/344122743.db2.gz VHAZCEADYWNXGQ-UHFFFAOYSA-N 0 0 184.264 1.939 10 0 ADAERN CC(C)C(=O)c1csnn1 158247045 344122751 /nfs/dbraw/zinc/12/27/51/344122751.db2.gz OGAOISGQYCIDCM-UHFFFAOYSA-N 0 0 156.210 1.377 10 0 ADAERN CCC(=O)c1snnc1CC 158257943 344122765 /nfs/dbraw/zinc/12/27/65/344122765.db2.gz DZKXZCIKIBADLM-UHFFFAOYSA-N 0 0 170.237 1.693 10 0 ADAERN CCC(=O)c1cnns1 158250809 344122769 /nfs/dbraw/zinc/12/27/69/344122769.db2.gz SFNMLFBSAWDQFJ-UHFFFAOYSA-N 0 0 142.183 1.131 10 0 ADAERN O=C(CN1CCCC1=O)C1CCCC1 158292603 344123859 /nfs/dbraw/zinc/12/38/59/344123859.db2.gz CMBCCPMVPREAHN-UHFFFAOYSA-N 0 0 195.262 1.368 10 0 ADAERN Cc1ccn(CC(=O)C2CCCC2)n1 158307259 344123891 /nfs/dbraw/zinc/12/38/91/344123891.db2.gz SRSZZHYBWBYTRD-UHFFFAOYSA-N 0 0 192.262 1.951 10 0 ADAERN CC[C@@H](OC)c1nccc(NC)n1 158489137 344127511 /nfs/dbraw/zinc/12/75/11/344127511.db2.gz DJUHMLAJMMJHCQ-SSDOTTSWSA-N 0 0 181.239 1.616 10 0 ADAERN CC[C@H](OC)c1nccc(NC)n1 158488991 344127534 /nfs/dbraw/zinc/12/75/34/344127534.db2.gz DJUHMLAJMMJHCQ-ZETCQYMHSA-N 0 0 181.239 1.616 10 0 ADAERN O[C@H](Cn1ccnc1)C1CCCC1 158472451 344127543 /nfs/dbraw/zinc/12/75/43/344127543.db2.gz RZXOPPWDKWDQBQ-SNVBAGLBSA-N 0 0 180.251 1.434 10 0 ADAERN COC1(c2nccc(N)n2)CCC1 158478491 344127547 /nfs/dbraw/zinc/12/75/47/344127547.db2.gz CKWXUZUVSUHXHW-UHFFFAOYSA-N 0 0 179.223 1.084 10 0 ADAERN CNc1ccnc([C@@H](OC)C2CC2)n1 158487636 344127551 /nfs/dbraw/zinc/12/75/51/344127551.db2.gz ZDSHDIFRLMHEGC-VIFPVBQESA-N 0 0 193.250 1.616 10 0 ADAERN CC(C)Cc1nc(Cl)no1 158583305 344129239 /nfs/dbraw/zinc/12/92/39/344129239.db2.gz CBXHJIAIPFSTEM-UHFFFAOYSA-N 0 0 160.604 1.922 10 0 ADAERN O[C@H](c1cccs1)c1cnns1 158655381 344130137 /nfs/dbraw/zinc/13/01/37/344130137.db2.gz GWWYMNUPVJBBJS-SSDOTTSWSA-N 0 0 198.272 1.681 10 0 ADAERN C[C@H]([C@@H]1CCOC1)N1CN=NC1=S 158698419 344130997 /nfs/dbraw/zinc/13/09/97/344130997.db2.gz JIFOBYURYBGOFP-RNFRBKRXSA-N 0 0 199.279 1.164 10 0 ADAERN Cc1csc([C@H]2CCOC2)n1 158159160 344120652 /nfs/dbraw/zinc/12/06/52/344120652.db2.gz VMCOUOABGIADQO-ZETCQYMHSA-N 0 0 169.249 1.955 10 0 ADAERN CCC[C@@H](O)c1cc(C)nn1C 158967587 344135393 /nfs/dbraw/zinc/13/53/93/344135393.db2.gz XPFJSOXRPQDSAC-SECBINFHSA-N 0 0 168.240 1.562 10 0 ADAERN CC(C)(C)OCCn1cc(C=O)cn1 158924536 344135525 /nfs/dbraw/zinc/13/55/25/344135525.db2.gz XJVAHXWHWOXUMJ-UHFFFAOYSA-N 0 0 196.250 1.511 10 0 ADAERN CNc1nnc([C@@H](C)C(C)C)n1C 159008167 344136543 /nfs/dbraw/zinc/13/65/43/344136543.db2.gz NBZNROCWWOTJKH-ZETCQYMHSA-N 0 0 182.271 1.616 10 0 ADAERN CNc1nnc([C@@H](C)C2CC2)n1C 159015465 344137006 /nfs/dbraw/zinc/13/70/06/344137006.db2.gz PJFNWACWMXGRPV-LURJTMIESA-N 0 0 180.255 1.370 10 0 ADAERN CC(C)(C)OCC(=O)Nc1ncc[nH]1 159102173 344138714 /nfs/dbraw/zinc/13/87/14/344138714.db2.gz BMVJPVAJWLIDHR-UHFFFAOYSA-N 0 0 197.238 1.163 10 0 ADAERN O=C(c1cncnc1)[C@@H]1CCSC1 159111929 344138742 /nfs/dbraw/zinc/13/87/42/344138742.db2.gz FAPQYNRBZDFQBB-SSDOTTSWSA-N 0 0 194.259 1.412 10 0 ADAERN O=C(c1cncnc1)[C@H]1CCSC1 159112057 344138745 /nfs/dbraw/zinc/13/87/45/344138745.db2.gz FAPQYNRBZDFQBB-ZETCQYMHSA-N 0 0 194.259 1.412 10 0 ADAERN CNc1nnc(COC(C)(C)C)n1C 159089940 344138752 /nfs/dbraw/zinc/13/87/52/344138752.db2.gz KILBVUHNJNTSRC-UHFFFAOYSA-N 0 0 198.270 1.172 10 0 ADAERN CCc1nnc(C)cc1C=O 158717077 344131016 /nfs/dbraw/zinc/13/10/16/344131016.db2.gz HRTKNFQIOWTSCY-UHFFFAOYSA-N 0 0 150.181 1.160 10 0 ADAERN C[C@@H]([C@@H]1CCOC1)N1CN=NC1=S 158698347 344131018 /nfs/dbraw/zinc/13/10/18/344131018.db2.gz JIFOBYURYBGOFP-NKWVEPMBSA-N 0 0 199.279 1.164 10 0 ADAERN Cc1cc(C)c2c(c1)OCCNC2=O 158726118 344131024 /nfs/dbraw/zinc/13/10/24/344131024.db2.gz PDUSUVKKDLERBH-UHFFFAOYSA-N 0 0 191.230 1.426 10 0 ADAERN CC(C)=C[C@@H](NN)c1ccc(C)nc1 158721426 344131025 /nfs/dbraw/zinc/13/10/25/344131025.db2.gz QUWNQWIHBDZAAF-LLVKDONJSA-N 0 0 191.278 1.861 10 0 ADAERN C[C@@H](Nc1ncns1)[C@@H]1CCOC1 158692284 344131031 /nfs/dbraw/zinc/13/10/31/344131031.db2.gz VKWYHHITXHWTEG-RNFRBKRXSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@H](Nc1ncns1)[C@H]1CCOC1 158692424 344131032 /nfs/dbraw/zinc/13/10/32/344131032.db2.gz VKWYHHITXHWTEG-BQBZGAKWSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@H]([C@@H]1CCOC1)n1cc[nH]c1=S 158695121 344131043 /nfs/dbraw/zinc/13/10/43/344131043.db2.gz FUJFERLICUJRJI-HTQZYQBOSA-N 0 0 198.291 1.769 10 0 ADAERN CC(C)=C[C@H](NN)c1ccc(C)nc1 158721564 344131049 /nfs/dbraw/zinc/13/10/49/344131049.db2.gz QUWNQWIHBDZAAF-NSHDSACASA-N 0 0 191.278 1.861 10 0 ADAERN C[C@@H]([C@@H]1CCOC1)n1cc[nH]c1=S 158694976 344131053 /nfs/dbraw/zinc/13/10/53/344131053.db2.gz FUJFERLICUJRJI-JGVFFNPUSA-N 0 0 198.291 1.769 10 0 ADAERN CCCCn1ncc2c(N)ccnc21 158754192 344132261 /nfs/dbraw/zinc/13/22/61/344132261.db2.gz BNKHPMJLSQSMHP-UHFFFAOYSA-N 0 0 190.250 1.814 10 0 ADAERN COC(=O)c1nc2ccc(C)[nH]c-2n1 159216481 344140808 /nfs/dbraw/zinc/14/08/08/344140808.db2.gz JQCGFYSWOHMLBU-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN CN(C)C(=O)NOC1CCCC1 159233956 344140812 /nfs/dbraw/zinc/14/08/12/344140812.db2.gz HESCSNGRBPZHMA-UHFFFAOYSA-N 0 0 172.228 1.132 10 0 ADAERN COC(C)(C)CNc1nncs1 159263008 344141148 /nfs/dbraw/zinc/14/11/48/344141148.db2.gz ZBSBLWAVAPEYKJ-UHFFFAOYSA-N 0 0 187.268 1.375 10 0 ADAERN CC[C@@H](O)c1cccnc1OC 159280871 344142107 /nfs/dbraw/zinc/14/21/07/344142107.db2.gz LYRNGKWQKWBJSO-MRVPVSSYSA-N 0 0 167.208 1.534 10 0 ADAERN CC[C@H](O)c1cccnc1OC 159280736 344142109 /nfs/dbraw/zinc/14/21/09/344142109.db2.gz LYRNGKWQKWBJSO-QMMMGPOBSA-N 0 0 167.208 1.534 10 0 ADAERN Nc1cc(Cl)cc2[nH]c(CO)nc12 159425900 344144601 /nfs/dbraw/zinc/14/46/01/344144601.db2.gz HYNORHHYTOGXBN-UHFFFAOYSA-N 0 0 197.625 1.291 10 0 ADAERN C[C@H](O)C(C)(C)Nc1ccccc1N 159431271 344144730 /nfs/dbraw/zinc/14/47/30/344144730.db2.gz AFCZVZGTLPPWQC-QMMMGPOBSA-N 0 0 194.278 1.840 10 0 ADAERN C[C@H](O)COC1C[C@H](C)O[C@@H](C)C1 159604698 344149098 /nfs/dbraw/zinc/14/90/98/344149098.db2.gz NWXMMHDQCWXRRW-CIUDSAMLSA-N 0 0 188.267 1.340 10 0 ADAERN Cc1csc([C@H]2NCCS2)n1 159619899 344149536 /nfs/dbraw/zinc/14/95/36/344149536.db2.gz JKPFIGNCGYDWKO-LURJTMIESA-N 0 0 186.305 1.787 10 0 ADAERN Cc1csc(-c2nccc(N)n2)n1 159626773 344149648 /nfs/dbraw/zinc/14/96/48/344149648.db2.gz GZICOJWBOFXKDY-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN O[C@@]1(Cc2cncs2)CCCOC1 159668473 344149973 /nfs/dbraw/zinc/14/99/73/344149973.db2.gz HBTCSHQHAJXVPY-SECBINFHSA-N 0 0 199.275 1.227 10 0 ADAERN Cc1csc([C@H]2CC(=O)N2)n1 159683125 344150026 /nfs/dbraw/zinc/15/00/26/344150026.db2.gz CJROQRGSUFCVLL-RXMQYKEDSA-N 0 0 168.221 1.013 10 0 ADAERN Cc1csc([C@@H]2CC(=O)N[C@H]2C)n1 159692077 344150338 /nfs/dbraw/zinc/15/03/38/344150338.db2.gz ZNDXNCGCVFZKCA-NKWVEPMBSA-N 0 0 196.275 1.444 10 0 ADAERN C[C@@H](O)CCN1CCC[C@@H](C)C1=O 159821970 344152609 /nfs/dbraw/zinc/15/26/09/344152609.db2.gz PCMDAKIVXINXSC-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN Nc1ncc([C@@H](O)C2CCCC2)s1 159822158 344152790 /nfs/dbraw/zinc/15/27/90/344152790.db2.gz ANWXZQYIQDRXKJ-QMMMGPOBSA-N 0 0 198.291 1.949 10 0 ADAERN C[C@H]1CCC[C@]1(O)c1cnc(N)s1 159838760 344153004 /nfs/dbraw/zinc/15/30/04/344153004.db2.gz XCOGOOUIPKEHEA-IMTBSYHQSA-N 0 0 198.291 1.733 10 0 ADAERN C[C@H]1CCC[C@@]1(O)c1cnc(N)s1 159839018 344153033 /nfs/dbraw/zinc/15/30/33/344153033.db2.gz XCOGOOUIPKEHEA-RCOVLWMOSA-N 0 0 198.291 1.733 10 0 ADAERN CC[C@H](CO)Nc1cc(C)cc(N)c1 159854930 344153063 /nfs/dbraw/zinc/15/30/63/344153063.db2.gz IPGMKPNTWSZKQK-SNVBAGLBSA-N 0 0 194.278 1.760 10 0 ADAERN CC[C@@H](C)[C@H](C)Nc1ccc(N)nn1 159831742 344153117 /nfs/dbraw/zinc/15/31/17/344153117.db2.gz MVHGEDJCFQQXFO-SFYZADRCSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@@H]1CCC[C@@]1(O)c1cnc(N)s1 159838894 344153150 /nfs/dbraw/zinc/15/31/50/344153150.db2.gz XCOGOOUIPKEHEA-MUWHJKNJSA-N 0 0 198.291 1.733 10 0 ADAERN C[C@@H](O)/C=C/c1cc(O)cc(F)c1 159860329 344153444 /nfs/dbraw/zinc/15/34/44/344153444.db2.gz HRKRLZRVTNMQRP-TYWZFMJISA-N 0 0 182.194 1.925 10 0 ADAERN Cc1cc(N)cc(NCC(C)(C)O)c1 159862186 344153605 /nfs/dbraw/zinc/15/36/05/344153605.db2.gz OJPDTJZFOSYWET-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN CC[C@H]1CCCN1c1ccc(N)nn1 159902290 344154055 /nfs/dbraw/zinc/15/40/55/344154055.db2.gz LSMLVLPQWPDQAQ-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN OC1(C2=COCCC2)CCCC1 159926529 344154464 /nfs/dbraw/zinc/15/44/64/344154464.db2.gz PLOMMVHAUAABQZ-UHFFFAOYSA-N 0 0 168.236 1.986 10 0 ADAERN CC1(C)CCN(c2ccc(N)nn2)C1 159943906 344155145 /nfs/dbraw/zinc/15/51/45/344155145.db2.gz IAXGZHTUDMNHTB-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN O[C@@H](C1=COCCC1)c1cccnc1 159942969 344155151 /nfs/dbraw/zinc/15/51/51/344155151.db2.gz SYJFIHHWEPRLHC-LLVKDONJSA-N 0 0 191.230 1.809 10 0 ADAERN CO[C@H](C)[C@@H](C)C(C)=O 159950325 344155157 /nfs/dbraw/zinc/15/51/57/344155157.db2.gz ULLQJCPMKDOMMQ-CAHLUQPWSA-N 0 0 130.187 1.246 10 0 ADAERN O[C@H](C1=COCCC1)[C@H]1CCCOC1 159956079 344155161 /nfs/dbraw/zinc/15/51/61/344155161.db2.gz BCFQBVJCBJIODC-WDEREUQCSA-N 0 0 198.262 1.468 10 0 ADAERN Nc1ccc(Nc2ccsc2)nn1 159940090 344155162 /nfs/dbraw/zinc/15/51/62/344155162.db2.gz FHERGKUFXRESKW-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN C[C@H](Nc1ccc(N)nn1)C(C)(C)C 159966686 344155455 /nfs/dbraw/zinc/15/54/55/344155455.db2.gz PDLVTFPPRSRGEC-ZETCQYMHSA-N 0 0 194.282 1.905 10 0 ADAERN O[C@@H](c1cnccn1)[C@@H]1CCSC1 159972115 344155485 /nfs/dbraw/zinc/15/54/85/344155485.db2.gz SRTJNNLUXAWSKU-VXNVDRBHSA-N 0 0 196.275 1.263 10 0 ADAERN C[C@H](CNc1ccc(N)nn1)C1CC1 159969767 344155489 /nfs/dbraw/zinc/15/54/89/344155489.db2.gz ILLIBBKXYPSWGC-SSDOTTSWSA-N 0 0 192.266 1.517 10 0 ADAERN CC1CC(Nc2ccc(N)nn2)C1 159968660 344155496 /nfs/dbraw/zinc/15/54/96/344155496.db2.gz FBDACGREOZAZNT-UHFFFAOYSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H](Nc1ccc(N)nn1)C1CCC1 159981360 344155926 /nfs/dbraw/zinc/15/59/26/344155926.db2.gz BYEOYKGAIQQVHD-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN CC1(Nc2ccc(N)nn2)CC1 159973887 344155927 /nfs/dbraw/zinc/15/59/27/344155927.db2.gz ZPHCQQQQQNBTDV-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN O=C(c1csnn1)c1ccco1 159984729 344155930 /nfs/dbraw/zinc/15/59/30/344155930.db2.gz CEMLJMXDNWUUPF-UHFFFAOYSA-N 0 0 180.188 1.362 10 0 ADAERN O=C(c1cnsn1)c1ccco1 159973608 344155931 /nfs/dbraw/zinc/15/59/31/344155931.db2.gz ATDGRMZRBQCNFF-UHFFFAOYSA-N 0 0 180.188 1.362 10 0 ADAERN O[C@]1(C2=COCCC2)CCSC1 159982547 344155940 /nfs/dbraw/zinc/15/59/40/344155940.db2.gz BNDYNDJLIXKPHL-SECBINFHSA-N 0 0 186.276 1.549 10 0 ADAERN O[C@@]1(C2=COCCC2)CCCOCC1 159973770 344155941 /nfs/dbraw/zinc/15/59/41/344155941.db2.gz MWXPMNOYRHQHBX-NSHDSACASA-N 0 0 198.262 1.612 10 0 ADAERN CC1(Nc2ccc(N)nn2)CCC1 159974025 344155943 /nfs/dbraw/zinc/15/59/43/344155943.db2.gz XERBTFQCMQIYNJ-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN O[C@@H](C1=COCCC1)C1CCC1 159985752 344155995 /nfs/dbraw/zinc/15/59/95/344155995.db2.gz IABBBOVENSJVII-SNVBAGLBSA-N 0 0 168.236 1.842 10 0 ADAERN O[C@@H](C1=COCCC1)[C@@H]1CCCO1 159999770 344156547 /nfs/dbraw/zinc/15/65/47/344156547.db2.gz IEXMQQGGPNYSOI-UWVGGRQHSA-N 0 0 184.235 1.221 10 0 ADAERN O[C@@H](C1=COCCC1)[C@H]1CCCO1 159999641 344156597 /nfs/dbraw/zinc/15/65/97/344156597.db2.gz IEXMQQGGPNYSOI-ZJUUUORDSA-N 0 0 184.235 1.221 10 0 ADAERN N[C@H](c1cnsn1)c1cccs1 160084713 344158236 /nfs/dbraw/zinc/15/82/36/344158236.db2.gz SDMQZEPKZGUTLB-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN Nc1ncccc1Cc1cncs1 159780117 344152099 /nfs/dbraw/zinc/15/20/99/344152099.db2.gz JMSZINYYGICRCE-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1ccnn1C 160228741 344160692 /nfs/dbraw/zinc/16/06/92/344160692.db2.gz FZSNMEBPEQWKRU-HTQZYQBOSA-N 0 0 164.208 1.113 10 0 ADAERN CCc1nccn1CCSC 160238729 344160712 /nfs/dbraw/zinc/16/07/12/344160712.db2.gz RGCJKTRUGIHCNR-UHFFFAOYSA-N 0 0 170.281 1.809 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1ccnn1C 160228471 344160718 /nfs/dbraw/zinc/16/07/18/344160718.db2.gz FZSNMEBPEQWKRU-SFYZADRCSA-N 0 0 164.208 1.113 10 0 ADAERN CC(C)=C[C@H](O)c1ccnn1C 160233717 344160721 /nfs/dbraw/zinc/16/07/21/344160721.db2.gz NFURQUMIJOIZJC-VIFPVBQESA-N 0 0 166.224 1.420 10 0 ADAERN CCn1nccc1[C@H]1NCCS1 160253795 344161256 /nfs/dbraw/zinc/16/12/56/344161256.db2.gz ZTXXXGLNIKQYFU-QMMMGPOBSA-N 0 0 183.280 1.238 10 0 ADAERN CCc1nn(C)cc1[C@H]1NCCS1 160253626 344161261 /nfs/dbraw/zinc/16/12/61/344161261.db2.gz YXSQFRCFAAQOOW-VIFPVBQESA-N 0 0 197.307 1.318 10 0 ADAERN CCc1nn(C)cc1[C@@H]1NCCS1 160253492 344161271 /nfs/dbraw/zinc/16/12/71/344161271.db2.gz YXSQFRCFAAQOOW-SECBINFHSA-N 0 0 197.307 1.318 10 0 ADAERN CCc1nn(C)cc1[C@@H](O)C(C)C 160246789 344161273 /nfs/dbraw/zinc/16/12/73/344161273.db2.gz JAQWQTXAEILTDL-JTQLQIEISA-N 0 0 182.267 1.672 10 0 ADAERN O[C@@H](CC1CCC1)c1csnn1 160138942 344158740 /nfs/dbraw/zinc/15/87/40/344158740.db2.gz DWSNRCHNUZHXNE-QMMMGPOBSA-N 0 0 184.264 1.762 10 0 ADAERN Fc1cncc(-c2nc(Cl)no2)c1 160150935 344158760 /nfs/dbraw/zinc/15/87/60/344158760.db2.gz PSKGOFAXPHDOHT-UHFFFAOYSA-N 0 0 199.572 1.924 10 0 ADAERN C[C@@H]1C[C@]1(O)c1cncc(F)c1 160154504 344158768 /nfs/dbraw/zinc/15/87/68/344158768.db2.gz JQKLOPNXKLNJAB-HZGVNTEJSA-N 0 0 167.183 1.448 10 0 ADAERN CC(C)CC(=O)N1CCC(=O)[C@@H](C)C1 160121310 344158774 /nfs/dbraw/zinc/15/87/74/344158774.db2.gz UGSIEIGEVCGTHR-VIFPVBQESA-N 0 0 197.278 1.470 10 0 ADAERN CC1(C)CC[C@@H](N2CC(=O)CC2=O)C1 160174820 344159189 /nfs/dbraw/zinc/15/91/89/344159189.db2.gz RWCHLNNIBNTVRW-MRVPVSSYSA-N 0 0 195.262 1.367 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1cncc(F)c1 160155315 344159201 /nfs/dbraw/zinc/15/92/01/344159201.db2.gz ZQPXJELGBOXGTB-XCBNKYQSSA-N 0 0 181.210 1.838 10 0 ADAERN COc1cccnc1NC1CC1 160190500 344159707 /nfs/dbraw/zinc/15/97/07/344159707.db2.gz FDSIYFKXPLHQRY-UHFFFAOYSA-N 0 0 408.546 3.298 10 0 ADAERN Cc1nnsc1[C@H](O)CC1CC1 160195377 344159720 /nfs/dbraw/zinc/15/97/20/344159720.db2.gz LWSDSKMLLZTBAW-SSDOTTSWSA-N 0 0 184.264 1.680 10 0 ADAERN Cc1nnsc1[C@@H](O)CC1CC1 160195521 344159725 /nfs/dbraw/zinc/15/97/25/344159725.db2.gz LWSDSKMLLZTBAW-ZETCQYMHSA-N 0 0 184.264 1.680 10 0 ADAERN Cc1ncccc1[C@@H](O)C1CC1 160505637 344167495 /nfs/dbraw/zinc/16/74/95/344167495.db2.gz ROAHRNONLUFQIH-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN Cc1cc([C@@H](O)C2CC2)n(C)n1 160505379 344167524 /nfs/dbraw/zinc/16/75/24/344167524.db2.gz KXVOXTPZFRLVTF-VIFPVBQESA-N 0 0 166.224 1.172 10 0 ADAERN CO[C@@H](C)C(=O)N[C@@H](C)C(C)C 160507660 344168161 /nfs/dbraw/zinc/16/81/61/344168161.db2.gz BPKTUGZSCMNLAR-YUMQZZPRSA-N 0 0 173.256 1.182 10 0 ADAERN C[C@H](O)C(C)(C)Nc1cccnn1 160572494 344170300 /nfs/dbraw/zinc/17/03/00/344170300.db2.gz VZUPITYBUBVRMV-ZETCQYMHSA-N 0 0 181.239 1.048 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1cccnn1 160572630 344170370 /nfs/dbraw/zinc/17/03/70/344170370.db2.gz VZUPITYBUBVRMV-SSDOTTSWSA-N 0 0 181.239 1.048 10 0 ADAERN Cc1cccc(F)c1NC[C@@H](C)O 160315042 344162992 /nfs/dbraw/zinc/16/29/92/344162992.db2.gz ZWBYFQKXXGXKDF-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN CC(C)=C[C@H](O)c1cnc(C)cn1 160858436 344179490 /nfs/dbraw/zinc/17/94/90/344179490.db2.gz IGZFYFFIIBMPFI-JTQLQIEISA-N 0 0 178.235 1.785 10 0 ADAERN Cc1ccoc1[C@H](O)c1cnn(C)c1 160859472 344179493 /nfs/dbraw/zinc/17/94/93/344179493.db2.gz UQJNSGVLQZNJQC-SECBINFHSA-N 0 0 192.218 1.403 10 0 ADAERN CSC[C@@H](O)C=C(C)C 160866505 344179495 /nfs/dbraw/zinc/17/94/95/344179495.db2.gz VOMBLHCZOLBTKG-ZETCQYMHSA-N 0 0 146.255 1.677 10 0 ADAERN O[C@H](Cc1cncs1)[C@@H]1CCOC1 160940152 344181139 /nfs/dbraw/zinc/18/11/39/344181139.db2.gz YMSSDIQFUAWECS-VXNVDRBHSA-N 0 0 199.275 1.083 10 0 ADAERN Cc1nnc(S[C@H](C)CO)s1 160953635 344181725 /nfs/dbraw/zinc/18/17/25/344181725.db2.gz LNIMBMJBCLOFKH-SCSAIBSYSA-N 0 0 190.293 1.319 10 0 ADAERN O[C@]1(CC2CC2)CCSC1 161168901 344185980 /nfs/dbraw/zinc/18/59/80/344185980.db2.gz NXWUOEJTDPPDSG-QMMMGPOBSA-N 0 0 158.266 1.655 10 0 ADAERN Cc1ccoc1-c1ncc[nH]1 161178128 344186359 /nfs/dbraw/zinc/18/63/59/344186359.db2.gz CWFVSXWPMGKVQG-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN O[C@@H](CC1CC1)c1nccs1 161178725 344186801 /nfs/dbraw/zinc/18/68/01/344186801.db2.gz DMNWOLLYDOYCMN-ZETCQYMHSA-N 0 0 169.249 1.977 10 0 ADAERN O=C([O-])C1(C2CCC2)CC[NH2+]CC1 161203172 344186805 /nfs/dbraw/zinc/18/68/05/344186805.db2.gz HGFJNPIWWRFYLV-UHFFFAOYSA-N 0 0 183.251 1.241 10 0 ADAERN O=C([O-])[C@]1(C2CCC2)CCC[NH2+]C1 161203399 344186816 /nfs/dbraw/zinc/18/68/16/344186816.db2.gz VOSGGMXWXAJNMM-SNVBAGLBSA-N 0 0 183.251 1.241 10 0 ADAERN COCCc1nc2cc(O)ccc2[nH]1 161227919 344187302 /nfs/dbraw/zinc/18/73/02/344187302.db2.gz YLHVLRQCXGBAFR-UHFFFAOYSA-N 0 0 192.218 1.457 10 0 ADAERN CC[C@](C)(OC)c1nc(N)cs1 161026373 344183440 /nfs/dbraw/zinc/18/34/40/344183440.db2.gz DBMGHEXWADUENX-QMMMGPOBSA-N 0 0 186.280 1.997 10 0 ADAERN Cn1cncc1[C@@H](O)CC1CC1 161016224 344183452 /nfs/dbraw/zinc/18/34/52/344183452.db2.gz HBXKEJWNALHXMJ-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)C1CCC1 161271623 344188174 /nfs/dbraw/zinc/18/81/74/344188174.db2.gz CPYWWDOTUBDFBW-CBAPKCEASA-N 0 0 156.225 1.326 10 0 ADAERN C[C@H]1OCC[C@]1(O)C1CCC1 161271755 344188194 /nfs/dbraw/zinc/18/81/94/344188194.db2.gz CPYWWDOTUBDFBW-VXNVDRBHSA-N 0 0 156.225 1.326 10 0 ADAERN Cc1ccoc1-c1ncc(CO)cn1 161288804 344189050 /nfs/dbraw/zinc/18/90/50/344189050.db2.gz WELVZZIGCBRXLC-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cncs1 161484411 344192139 /nfs/dbraw/zinc/19/21/39/344192139.db2.gz WBHYPUMOSJHNKI-RQJHMYQMSA-N 0 0 167.233 1.836 10 0 ADAERN Cc1cc(-c2nn(C)c(=S)[nH]2)co1 161532917 344192956 /nfs/dbraw/zinc/19/29/56/344192956.db2.gz LHELIZWRBRUCOX-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN CCC(C)(C)Nc1nccc(N)n1 161542613 344193675 /nfs/dbraw/zinc/19/36/75/344193675.db2.gz LZDRCCLRELVJPE-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN O[C@@H](c1cncnc1)c1nccs1 161547882 344193677 /nfs/dbraw/zinc/19/36/77/344193677.db2.gz NUBHSPNQSFWKGH-ZETCQYMHSA-N 0 0 193.231 1.015 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H](C2CCC2)[NH2+]1 161564526 344193678 /nfs/dbraw/zinc/19/36/78/344193678.db2.gz NSCXONRJBZFELZ-IUCAKERBSA-N 0 0 183.251 1.382 10 0 ADAERN Cc1cc(N)nc(-c2nccs2)n1 161617436 344195351 /nfs/dbraw/zinc/19/53/51/344195351.db2.gz BFNAKSWIAZWQCA-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC(C)Sc1nccc(N)n1 161761641 344197336 /nfs/dbraw/zinc/19/73/36/344197336.db2.gz QRCLMYYUXFKFAL-UHFFFAOYSA-N 0 0 169.253 1.559 10 0 ADAERN C[C@@H]1C[C@@H](c2nc(N)ns2)CO1 161831947 344198789 /nfs/dbraw/zinc/19/87/89/344198789.db2.gz KHMXODBVUDZLEG-RFZPGFLSSA-N 0 0 185.252 1.013 10 0 ADAERN CCOCc1nc2cc(O)ccc2[nH]1 161222473 344187305 /nfs/dbraw/zinc/18/73/05/344187305.db2.gz OBRXPVRLKMBKPR-UHFFFAOYSA-N 0 0 192.218 1.805 10 0 ADAERN COCC(=O)[C@]1(C)CCCS1 161255983 344187775 /nfs/dbraw/zinc/18/77/75/344187775.db2.gz SINTWEXCGPNZIX-QMMMGPOBSA-N 0 0 174.265 1.488 10 0 ADAERN CC(C)[C@@H](CO)C1CC1 162178279 344204916 /nfs/dbraw/zinc/20/49/16/344204916.db2.gz BTOIYYMSSXSEPC-MRVPVSSYSA-N 0 0 128.215 1.661 10 0 ADAERN Cc1cc([C@H](O)C(C)C)c(C)nn1 162210674 344205382 /nfs/dbraw/zinc/20/53/82/344205382.db2.gz PBBQXNKOGOFZSW-SNVBAGLBSA-N 0 0 180.251 1.783 10 0 ADAERN C[C@@H]1C[C@@H](c2csc(N)n2)CO1 161901988 344200024 /nfs/dbraw/zinc/20/00/24/344200024.db2.gz QMHNGDJSZNNCMJ-PHDIDXHHSA-N 0 0 184.264 1.618 10 0 ADAERN CC(C)[C@H](C)Nc1ncc[nH]c1=O 161880903 344200055 /nfs/dbraw/zinc/20/00/55/344200055.db2.gz KXMNFBVUYQGAHE-ZETCQYMHSA-N 0 0 181.239 1.226 10 0 ADAERN C[C@H]1C[C@H](c2csc(N)n2)CO1 161901844 344200097 /nfs/dbraw/zinc/20/00/97/344200097.db2.gz QMHNGDJSZNNCMJ-WDSKDSINSA-N 0 0 184.264 1.618 10 0 ADAERN Cc1cccc(-c2cc(=O)[nH][nH]2)c1 161874307 344200102 /nfs/dbraw/zinc/20/01/02/344200102.db2.gz OLDCDHFRPFTACT-UHFFFAOYSA-N 0 0 174.203 1.219 10 0 ADAERN O=C(Cc1cccnc1)c1ccnnc1 161951898 344200913 /nfs/dbraw/zinc/20/09/13/344200913.db2.gz BWRKQQRVFIEDCO-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN OC[C@H](O)CS[C@H]1C=CCCC1 162063052 344202680 /nfs/dbraw/zinc/20/26/80/344202680.db2.gz PYMXTBBRECULDB-IUCAKERBSA-N 0 0 188.292 1.182 10 0 ADAERN CC(C)(C)C(=O)N1CC[C@@H](CCO)C1 162411794 344208021 /nfs/dbraw/zinc/20/80/21/344208021.db2.gz NKDPUOBGGUHRBO-VIFPVBQESA-N 0 0 199.294 1.263 10 0 ADAERN COc1ccc2c(n1)SCCCN2 162415194 344208031 /nfs/dbraw/zinc/20/80/31/344208031.db2.gz IQFWVYCDSXEPOF-UHFFFAOYSA-N 0 0 196.275 1.998 10 0 ADAERN Cc1ccc2c(n1)S[C@H](C)C(=O)N2 162418597 344208032 /nfs/dbraw/zinc/20/80/32/344208032.db2.gz YYMGPLOKIIQHKT-ZCFIWIBFSA-N 0 0 194.259 1.823 10 0 ADAERN Cc1ccc2c(n1)S[C@@H](C)C(=O)N2 162418727 344208042 /nfs/dbraw/zinc/20/80/42/344208042.db2.gz YYMGPLOKIIQHKT-LURJTMIESA-N 0 0 194.259 1.823 10 0 ADAERN Cc1ccc([C@@H](N)C(F)F)cn1 162411518 344208072 /nfs/dbraw/zinc/20/80/72/344208072.db2.gz QFJJEJMFQNMLEI-SSDOTTSWSA-N 0 0 172.178 1.655 10 0 ADAERN Cc1nn(C)c2c1NCCCS2 162415000 344208084 /nfs/dbraw/zinc/20/80/84/344208084.db2.gz CYAUYTZABWZMSE-UHFFFAOYSA-N 0 0 183.280 1.636 10 0 ADAERN CCc1nn(C)c2c1NC[C@@H](C)S2 162423275 344208119 /nfs/dbraw/zinc/20/81/19/344208119.db2.gz GSSFIVGACDZRHE-ZCFIWIBFSA-N 0 0 197.307 1.889 10 0 ADAERN Cc1cnc2c(c1)NC(=O)[C@@H](C)S2 162420285 344208123 /nfs/dbraw/zinc/20/81/23/344208123.db2.gz NHKDOVZVQZBKLJ-ZCFIWIBFSA-N 0 0 194.259 1.823 10 0 ADAERN CO[C@H](C)[C@H](C)Nc1cnn(C)c1 162457983 344208606 /nfs/dbraw/zinc/20/86/06/344208606.db2.gz MVKOWLIYSGLYNT-JGVFFNPUSA-N 0 0 183.255 1.255 10 0 ADAERN CCOC(=N)c1cnccc1C 162435098 344208622 /nfs/dbraw/zinc/20/86/22/344208622.db2.gz SXQPCKURTKPNKJ-UHFFFAOYSA-N 0 0 164.208 1.752 10 0 ADAERN Cc1ccc([C@H]2OCC[C@H]2CO)cn1 162466317 344209024 /nfs/dbraw/zinc/20/90/24/344209024.db2.gz ANJXKXOOOSMPNH-WDEREUQCSA-N 0 0 193.246 1.460 10 0 ADAERN C[C@H](CO)Sc1ccnc(F)c1 162481657 344209119 /nfs/dbraw/zinc/20/91/19/344209119.db2.gz HDDGBVZHSGXRML-ZCFIWIBFSA-N 0 0 187.239 1.694 10 0 ADAERN C[C@@H](CO)Sc1ccnc(F)c1 162481501 344209121 /nfs/dbraw/zinc/20/91/21/344209121.db2.gz HDDGBVZHSGXRML-LURJTMIESA-N 0 0 187.239 1.694 10 0 ADAERN Cc1cc(F)cc(-c2noc(N)n2)c1 162492666 344209137 /nfs/dbraw/zinc/20/91/37/344209137.db2.gz UQJJRUAQJYEXEJ-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CNC(=O)[C@]1(C)CCCS1 162508230 344209141 /nfs/dbraw/zinc/20/91/41/344209141.db2.gz ZTFSUCOBFADUSN-ZETCQYMHSA-N 0 0 159.254 1.018 10 0 ADAERN Cc1ccc([C@H]2OCC[C@@H]2CO)cn1 162466551 344209169 /nfs/dbraw/zinc/20/91/69/344209169.db2.gz ANJXKXOOOSMPNH-GHMZBOCLSA-N 0 0 193.246 1.460 10 0 ADAERN Cc1nccnc1S[C@@H](C)CO 162516772 344209552 /nfs/dbraw/zinc/20/95/52/344209552.db2.gz JPIVBYAHOQILRO-LURJTMIESA-N 0 0 184.264 1.258 10 0 ADAERN C[C@@]1(CO)CCCS1 162524172 344209561 /nfs/dbraw/zinc/20/95/61/344209561.db2.gz PTGGQMCXMMQUEZ-LURJTMIESA-N 0 0 132.228 1.264 10 0 ADAERN C[C@H](Cc1cccc(F)c1)NN 162589636 344210382 /nfs/dbraw/zinc/21/03/82/344210382.db2.gz QMUNERRMMJHDLL-SSDOTTSWSA-N 0 0 168.215 1.220 10 0 ADAERN CCCn1c(C(C)C)c[nH]c1=O 162582724 344210415 /nfs/dbraw/zinc/21/04/15/344210415.db2.gz QUCKDYFXHRXHQN-UHFFFAOYSA-N 0 0 168.240 1.710 10 0 ADAERN Cc1nnc([C@@]2(C)CCCS2)[nH]1 162603885 344210746 /nfs/dbraw/zinc/21/07/46/344210746.db2.gz USIDYWHKXISQCJ-MRVPVSSYSA-N 0 0 183.280 1.855 10 0 ADAERN C[C@]1(c2nc(N)n[nH]2)CCCS1 162598324 344210817 /nfs/dbraw/zinc/21/08/17/344210817.db2.gz OZHOYFQWBPAVSB-SSDOTTSWSA-N 0 0 184.268 1.129 10 0 ADAERN C[C@@H](CO)S[C@H]1CCC[C@@H]1O 162631470 344211329 /nfs/dbraw/zinc/21/13/29/344211329.db2.gz SRWUSRBMUPBCDS-FXQIFTODSA-N 0 0 176.281 1.014 10 0 ADAERN C[C@H](CO)SC(F)F 162629862 344211331 /nfs/dbraw/zinc/21/13/31/344211331.db2.gz OVEKPFMTLNHYFX-GSVOUGTGSA-N 0 0 142.170 1.323 10 0 ADAERN CC[C@H]1Sc2ccncc2NC1=O 162670016 344211680 /nfs/dbraw/zinc/21/16/80/344211680.db2.gz AMNNXZDCSYKGTF-SSDOTTSWSA-N 0 0 194.259 1.904 10 0 ADAERN CC[C@@H]1Sc2ccncc2NC1=O 162670102 344211695 /nfs/dbraw/zinc/21/16/95/344211695.db2.gz AMNNXZDCSYKGTF-ZETCQYMHSA-N 0 0 194.259 1.904 10 0 ADAERN C[C@H](CO)S[C@H]1CCCCC1=O 162661014 344211697 /nfs/dbraw/zinc/21/16/97/344211697.db2.gz GBARJGXLDYBLII-APPZFPTMSA-N 0 0 188.292 1.612 10 0 ADAERN C[C@@H](CO)SCc1ncccn1 162646312 344211706 /nfs/dbraw/zinc/21/17/06/344211706.db2.gz TVYNTFABCHVGGD-ZETCQYMHSA-N 0 0 184.264 1.091 10 0 ADAERN CC(=O)[C@@H](C)S[C@@H](C)CO 162674245 344212319 /nfs/dbraw/zinc/21/23/19/344212319.db2.gz WJZLJGQPXUNYAX-CAHLUQPWSA-N 0 0 162.254 1.078 10 0 ADAERN C[C@@H](CO)S[C@@H]1CCCC(=O)C1 162678383 344212320 /nfs/dbraw/zinc/21/23/20/344212320.db2.gz CKKNCUDVMLVUCX-IONNQARKSA-N 0 0 188.292 1.612 10 0 ADAERN C[C@H](CO)S[C@@H]1CCCC1=O 162682403 344212323 /nfs/dbraw/zinc/21/23/23/344212323.db2.gz XOKSAXHTOQVVCB-HTRCEHHLSA-N 0 0 174.265 1.222 10 0 ADAERN CC[C@H]1Sc2ncccc2NC1=O 162671782 344212325 /nfs/dbraw/zinc/21/23/25/344212325.db2.gz IYPDFLANKLPVBY-SSDOTTSWSA-N 0 0 194.259 1.904 10 0 ADAERN CC(=O)[C@@H](C)S[C@H](C)CO 162674349 344212326 /nfs/dbraw/zinc/21/23/26/344212326.db2.gz WJZLJGQPXUNYAX-IYSWYEEDSA-N 0 0 162.254 1.078 10 0 ADAERN C[C@@H](CO)S[C@H]1CCCC1=O 162682545 344212330 /nfs/dbraw/zinc/21/23/30/344212330.db2.gz XOKSAXHTOQVVCB-XPUUQOCRSA-N 0 0 174.265 1.222 10 0 ADAERN CC(C)c1c[nH]c(=O)n1[C@@H]1CCOC1 162724564 344212736 /nfs/dbraw/zinc/21/27/36/344212736.db2.gz PDLXLEBPUAWYPQ-MRVPVSSYSA-N 0 0 196.250 1.261 10 0 ADAERN CCc1c[nH]c(=O)n1C1CCCC1 162722210 344212747 /nfs/dbraw/zinc/21/27/47/344212747.db2.gz JROABTDISQUNIT-UHFFFAOYSA-N 0 0 180.251 1.854 10 0 ADAERN CC1(C)CNc2ccccc2[S@@]1=O 162724509 344212754 /nfs/dbraw/zinc/21/27/54/344212754.db2.gz JNCCDJHIJHJXBK-CYBMUJFWSA-N 0 0 195.287 1.998 10 0 ADAERN C=CC(=O)N[C@H](C)C(C)(C)C 162720398 344212756 /nfs/dbraw/zinc/21/27/56/344212756.db2.gz QXOBGVQDOCCSSI-SSDOTTSWSA-N 0 0 155.241 1.723 10 0 ADAERN CC(C)c1c[nH]c(=O)n1[C@H]1CCOC1 162724682 344212757 /nfs/dbraw/zinc/21/27/57/344212757.db2.gz PDLXLEBPUAWYPQ-QMMMGPOBSA-N 0 0 196.250 1.261 10 0 ADAERN C=CC(=O)N[C@@H](C)C(C)(C)C 162720275 344212767 /nfs/dbraw/zinc/21/27/67/344212767.db2.gz QXOBGVQDOCCSSI-ZETCQYMHSA-N 0 0 155.241 1.723 10 0 ADAERN Cc1ccc2c(c1)NC(=O)C[S@@]2=O 162861699 344215142 /nfs/dbraw/zinc/21/51/42/344215142.db2.gz AFAZALNYZQQFCW-CYBMUJFWSA-N 0 0 195.243 1.055 10 0 ADAERN C[C@@H](Nc1cncc(N)n1)C(C)(C)C 162943524 344216438 /nfs/dbraw/zinc/21/64/38/344216438.db2.gz LHCLVJSYYYIEAL-SSDOTTSWSA-N 0 0 194.282 1.905 10 0 ADAERN COc1cccc(/C=C(/[NH3+])C(=O)[O-])c1 162977791 344217008 /nfs/dbraw/zinc/21/70/08/344217008.db2.gz LCQZXVMMHFBPPE-RMKNXTFCSA-N 0 0 193.202 1.079 10 0 ADAERN C[C@H]1NCC(=O)N1[C@H](C)C(C)(C)C 162970711 344217269 /nfs/dbraw/zinc/21/72/69/344217269.db2.gz YVMYXSCCQLYSJJ-SFYZADRCSA-N 0 0 184.283 1.199 10 0 ADAERN C[C@@H](N1CCCNC1=O)C(C)(C)C 162961925 344217271 /nfs/dbraw/zinc/21/72/71/344217271.db2.gz BOSAOOWMYZPCGU-MRVPVSSYSA-N 0 0 184.283 1.836 10 0 ADAERN C[C@@H]1NCN([C@H](C)C(C)(C)C)C1=O 162969271 344217272 /nfs/dbraw/zinc/21/72/72/344217272.db2.gz FCNDBHYNXPAJTN-JGVFFNPUSA-N 0 0 184.283 1.199 10 0 ADAERN Cc1cccc(/C=C(/[NH3+])C(=O)[O-])c1 162977919 344217283 /nfs/dbraw/zinc/21/72/83/344217283.db2.gz WCPYJEWNGCGYHG-RMKNXTFCSA-N 0 0 177.203 1.379 10 0 ADAERN Cc1cc(COc2cccnc2)on1 163016682 344218433 /nfs/dbraw/zinc/21/84/33/344218433.db2.gz CBYOEOMEEVOSGS-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN O=C(N1CC=CCC1)n1ccnc1 163148588 344219840 /nfs/dbraw/zinc/21/98/40/344219840.db2.gz NUXAIDKSOODYOJ-UHFFFAOYSA-N 0 0 177.207 1.113 10 0 ADAERN [NH3+][C@@H](c1cnccn1)[C@H]1CCSC1 163150119 344219863 /nfs/dbraw/zinc/21/98/63/344219863.db2.gz OOTIQTUOCJYPLQ-IONNQARKSA-N 0 0 195.291 1.230 10 0 ADAERN COCC[C@H](C)CCCO 163121736 344219946 /nfs/dbraw/zinc/21/99/46/344219946.db2.gz OFLRMXZOBXVUQM-MRVPVSSYSA-N 0 0 146.230 1.432 10 0 ADAERN S=c1[n-]nc(-c2ccncn2)o1 163129752 344219947 /nfs/dbraw/zinc/21/99/47/344219947.db2.gz MGCQKOCQCKOYAQ-UHFFFAOYSA-N 0 0 180.192 1.189 10 0 ADAERN O=C(Cc1ccco1)C1CC1 163151428 344219949 /nfs/dbraw/zinc/21/99/49/344219949.db2.gz AUOLRLYFEFJIDZ-UHFFFAOYSA-N 0 0 150.177 1.801 10 0 ADAERN CN1CCC[C@@H](O)c2ccccc21 163126075 344219952 /nfs/dbraw/zinc/21/99/52/344219952.db2.gz QVBDKOPEJVMJMV-LLVKDONJSA-N 0 0 177.247 1.950 10 0 ADAERN CN1CCC[C@H](O)c2ccccc21 163125948 344219954 /nfs/dbraw/zinc/21/99/54/344219954.db2.gz QVBDKOPEJVMJMV-NSHDSACASA-N 0 0 177.247 1.950 10 0 ADAERN C/C=C/C(=O)N1CC=CCC1 163159592 344219970 /nfs/dbraw/zinc/21/99/70/344219970.db2.gz AJMIOKRYZMQSAN-QHHAFSJGSA-N 0 0 151.209 1.351 10 0 ADAERN C[C@@H](CN1C[C@H](O)CC1=O)C(C)(C)C 163131811 344219972 /nfs/dbraw/zinc/21/99/72/344219972.db2.gz IZZPBNDRARPGOC-DTWKUNHWSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1ccco1 163156715 344219979 /nfs/dbraw/zinc/21/99/79/344219979.db2.gz MYPMCSWGOKPTDT-FKTZTGRPSA-N 0 0 166.220 1.839 10 0 ADAERN CC[C@H](NN)c1ccc(F)cn1 163219283 344220930 /nfs/dbraw/zinc/22/09/30/344220930.db2.gz DUIJDGBBDFTMBV-ZETCQYMHSA-N 0 0 169.203 1.135 10 0 ADAERN [NH3+][C@H](CC1CC1)c1csnn1 163281929 344221483 /nfs/dbraw/zinc/22/14/83/344221483.db2.gz FAGVSPHGLOECQA-ZCFIWIBFSA-N 0 0 169.253 1.338 10 0 ADAERN [NH3+][C@H](CC1CC1)c1cnns1 163298895 344221586 /nfs/dbraw/zinc/22/15/86/344221586.db2.gz CSMXBWKQPCXAQT-ZCFIWIBFSA-N 0 0 169.253 1.338 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncncc1Cl 163608251 344225875 /nfs/dbraw/zinc/22/58/75/344225875.db2.gz IPWYJDZKUCHOQD-VDTYLAMSSA-N 0 0 183.642 1.950 10 0 ADAERN Cc1c(N)n[nH]c1[C@H](C)C1CC1 163618061 344225910 /nfs/dbraw/zinc/22/59/10/344225910.db2.gz QNNAGGOGVNBCJP-RXMQYKEDSA-N 0 0 165.240 1.814 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncncc1Cl 163608473 344225914 /nfs/dbraw/zinc/22/59/14/344225914.db2.gz IPWYJDZKUCHOQD-IYSWYEEDSA-N 0 0 183.642 1.950 10 0 ADAERN COc1nccnc1C(=O)[C@@H]1C[C@@H]1C 163621155 344225920 /nfs/dbraw/zinc/22/59/20/344225920.db2.gz SDFPXNBDFDXBQB-NKWVEPMBSA-N 0 0 192.218 1.324 10 0 ADAERN COC[C@@H](C)C1N=NC(=N)C[C@@H]1C 163794865 344230236 /nfs/dbraw/zinc/23/02/36/344230236.db2.gz XQDVDQNVIRROKX-NKWVEPMBSA-N 0 0 183.255 1.022 10 0 ADAERN COC[C@H](C)C1N=NC(=N)C[C@@H]1C 163794653 344230286 /nfs/dbraw/zinc/23/02/86/344230286.db2.gz XQDVDQNVIRROKX-BQBZGAKWSA-N 0 0 183.255 1.022 10 0 ADAERN COC[C@H](C)C1N=NC(=N)C[C@H]1C 163794536 344230299 /nfs/dbraw/zinc/23/02/99/344230299.db2.gz XQDVDQNVIRROKX-RQJHMYQMSA-N 0 0 183.255 1.022 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)NC(C)(C)C 163848594 344231167 /nfs/dbraw/zinc/23/11/67/344231167.db2.gz YIGMZGAJQPVFNZ-YUMQZZPRSA-N 0 0 185.267 1.326 10 0 ADAERN CO[C@@H](C)c1nc2cccnc2[nH]1 163857798 344231749 /nfs/dbraw/zinc/23/17/49/344231749.db2.gz GPTSVVAXASSPHA-LURJTMIESA-N 0 0 177.207 1.665 10 0 ADAERN CO[C@@H](C)c1nc2ccc(C)nc2[nH]1 163862838 344231826 /nfs/dbraw/zinc/23/18/26/344231826.db2.gz SNDLBPREYFPNDD-ZETCQYMHSA-N 0 0 191.234 1.974 10 0 ADAERN CO[C@@H](C)c1nc2cc(O)ccc2[nH]1 163862965 344231865 /nfs/dbraw/zinc/23/18/65/344231865.db2.gz OXUHYHLJKQIDBF-LURJTMIESA-N 0 0 192.218 1.976 10 0 ADAERN CO[C@H](C)c1nnc2ccc(N)cn12 163939797 344233673 /nfs/dbraw/zinc/23/36/73/344233673.db2.gz NOLDNZGUWLXETA-ZCFIWIBFSA-N 0 0 192.222 1.019 10 0 ADAERN CO[C@H](C)c1nnc([C@@H](C)N)s1 163970226 344234643 /nfs/dbraw/zinc/23/46/43/344234643.db2.gz HYZRXLRBMDEKED-RFZPGFLSSA-N 0 0 187.268 1.265 10 0 ADAERN CCC(=O)[C@@H]1CO[C@H](C)C1 164022876 344235067 /nfs/dbraw/zinc/23/50/67/344235067.db2.gz GZJDXTQXNCKHJD-RQJHMYQMSA-N 0 0 142.198 1.391 10 0 ADAERN CS[C@H](C)CNc1ncccc1N 164005038 344235092 /nfs/dbraw/zinc/23/50/92/344235092.db2.gz KHYNKTZMGXGFKD-SSDOTTSWSA-N 0 0 197.307 1.827 10 0 ADAERN C[C@H]([NH3+])c1noc([C@H](C)C2CC2)n1 164054436 344235766 /nfs/dbraw/zinc/23/57/66/344235766.db2.gz LWWYOERMVNTKHI-RITPCOANSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@H]([NH3+])c1noc([C@@H](C)C2CC2)n1 164054203 344235777 /nfs/dbraw/zinc/23/57/77/344235777.db2.gz LWWYOERMVNTKHI-WDSKDSINSA-N 0 0 181.239 1.603 10 0 ADAERN COCc1ccc([C@H](C)[NH3+])o1 164053327 344235884 /nfs/dbraw/zinc/23/58/84/344235884.db2.gz FJJQQDDXXUKAJU-LURJTMIESA-N 0 0 155.197 1.446 10 0 ADAERN COCc1ccc([C@@H](C)[NH3+])o1 164053443 344236009 /nfs/dbraw/zinc/23/60/09/344236009.db2.gz FJJQQDDXXUKAJU-ZCFIWIBFSA-N 0 0 155.197 1.446 10 0 ADAERN C[C@@](O)(C(F)F)[C@@H]1CCOC1 164062940 344236332 /nfs/dbraw/zinc/23/63/32/344236332.db2.gz QJUUQZYUWKBDFO-VDTYLAMSSA-N 0 0 166.167 1.039 10 0 ADAERN C[C@H](N)c1nnc([C@@H](C)C2CC2)o1 164069355 344236336 /nfs/dbraw/zinc/23/63/36/344236336.db2.gz ZJRHNRXPIMZXRP-WDSKDSINSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@](O)(C(F)F)[C@H]1CCOC1 164063062 344236374 /nfs/dbraw/zinc/23/63/74/344236374.db2.gz QJUUQZYUWKBDFO-CAHLUQPWSA-N 0 0 166.167 1.039 10 0 ADAERN C[C@@](O)(C(F)F)[C@H]1CCOC1 164063180 344236390 /nfs/dbraw/zinc/23/63/90/344236390.db2.gz QJUUQZYUWKBDFO-FSPLSTOPSA-N 0 0 166.167 1.039 10 0 ADAERN C[C@](O)(C(F)F)[C@@H]1CCOC1 164062819 344236403 /nfs/dbraw/zinc/23/64/03/344236403.db2.gz QJUUQZYUWKBDFO-IYSWYEEDSA-N 0 0 166.167 1.039 10 0 ADAERN Nc1ccc(-c2cccnc2)nc1N 164101025 344237029 /nfs/dbraw/zinc/23/70/29/344237029.db2.gz BMMWARDWVLLJKH-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN O=C1CCC(O[C@@H]2CCC[C@H]2O)CC1 164148151 344237891 /nfs/dbraw/zinc/23/78/91/344237891.db2.gz VEPDUBDKFHSSCM-GHMZBOCLSA-N 0 0 198.262 1.428 10 0 ADAERN O=C(c1ccc(O)cc1)N1CCCO1 164344734 344242493 /nfs/dbraw/zinc/24/24/93/344242493.db2.gz SUKIDCDZELGQGJ-UHFFFAOYSA-N 0 0 193.202 1.170 10 0 ADAERN O=C(c1cccc(O)c1)N1CCCO1 164350987 344242824 /nfs/dbraw/zinc/24/28/24/344242824.db2.gz YEZCEACSMFPXSQ-UHFFFAOYSA-N 0 0 193.202 1.170 10 0 ADAERN COC1CCC2(CC1)C[C@H]2CO 164366678 344243250 /nfs/dbraw/zinc/24/32/50/344243250.db2.gz PWIYREHIFXVXMG-IDKOKCKLSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@@H](C)Cc1[nH]nc(N)c1C 164396557 344244290 /nfs/dbraw/zinc/24/42/90/344244290.db2.gz YZAWIYUPJUFXIH-ZCFIWIBFSA-N 0 0 167.256 1.889 10 0 ADAERN O=C(Oc1ccccc1)N1CCCO1 164390199 344244307 /nfs/dbraw/zinc/24/43/07/344244307.db2.gz IWPJGCSGNIXGNN-UHFFFAOYSA-N 0 0 193.202 1.823 10 0 ADAERN C[C@@H](C[C@@H](C)O)Nc1ccc(N)cn1 164409027 344244735 /nfs/dbraw/zinc/24/47/35/344244735.db2.gz SNRXWIHYMSWSLL-JGVFFNPUSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@H](O)C[C@@H](C)Nc1ccc(N)nc1 164433968 344244846 /nfs/dbraw/zinc/24/48/46/344244846.db2.gz WXFKNAFDCIYHQZ-SFYZADRCSA-N 0 0 195.266 1.235 10 0 ADAERN CC[C@H](C)Cc1cc(N)on1 164407901 344244850 /nfs/dbraw/zinc/24/48/50/344244850.db2.gz IERBTZHCPDWSID-LURJTMIESA-N 0 0 154.213 1.845 10 0 ADAERN CC[C@@H](C)Cc1n[nH]c(C)n1 164423439 344244853 /nfs/dbraw/zinc/24/48/53/344244853.db2.gz UBZOUCNRHNKVFL-ZCFIWIBFSA-N 0 0 153.229 1.702 10 0 ADAERN Cc1cccc2nc(CO)n(C)c12 164505522 344245605 /nfs/dbraw/zinc/24/56/05/344245605.db2.gz GYSWJZUHXQBSGD-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN c1cc(CNN2CCCCC2)ccn1 164515236 344246435 /nfs/dbraw/zinc/24/64/35/344246435.db2.gz BGPPHDQOPXSQJM-UHFFFAOYSA-N 0 0 191.278 1.572 10 0 ADAERN CON(C)C(=O)N1CCC[C@@H](C)C1 164589057 344247198 /nfs/dbraw/zinc/24/71/98/344247198.db2.gz UOOZIULTSUNVIU-MRVPVSSYSA-N 0 0 186.255 1.332 10 0 ADAERN C[C@@H](c1nnc(CN)s1)C1CC1 164591499 344247201 /nfs/dbraw/zinc/24/72/01/344247201.db2.gz AJRNFLMAQAGXSG-RXMQYKEDSA-N 0 0 183.280 1.510 10 0 ADAERN CC[C@@H](C)[C@@H]([NH3+])c1cnns1 164610098 344247826 /nfs/dbraw/zinc/24/78/26/344247826.db2.gz HHUYTTAIPWSASR-IYSWYEEDSA-N 0 0 171.269 1.584 10 0 ADAERN CC[C@@H](C)[C@H]([NH3+])c1cnns1 164609861 344247838 /nfs/dbraw/zinc/24/78/38/344247838.db2.gz HHUYTTAIPWSASR-VDTYLAMSSA-N 0 0 171.269 1.584 10 0 ADAERN OC1CCC(OCCF)CC1 164206926 344239470 /nfs/dbraw/zinc/23/94/70/344239470.db2.gz ROVFKDDBFYIVPR-UHFFFAOYSA-N 0 0 162.204 1.276 10 0 ADAERN Cc1ccc(NCc2cnco2)cn1 164633686 344248151 /nfs/dbraw/zinc/24/81/51/344248151.db2.gz OLZLUDVJIKQHKR-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1ccc(N[C@@H]2CCCOC2)cn1 164732458 344251103 /nfs/dbraw/zinc/25/11/03/344251103.db2.gz ZTTNOUKRERMUAY-LLVKDONJSA-N 0 0 192.262 1.981 10 0 ADAERN Cc1cnc(-c2ncccn2)s1 164753575 344251403 /nfs/dbraw/zinc/25/14/03/344251403.db2.gz URRBTLVMIOXQMH-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN Cn1nccc1[C@H](O)C1=COCCC1 164756687 344251560 /nfs/dbraw/zinc/25/15/60/344251560.db2.gz NPYJQIYLFQCDSI-SNVBAGLBSA-N 0 0 194.234 1.148 10 0 ADAERN Cc1ccoc1C(N)=S 165056271 344257636 /nfs/dbraw/zinc/25/76/36/344257636.db2.gz JYWVTVUMPXDEQO-UHFFFAOYSA-N 0 0 141.195 1.222 10 0 ADAERN Cc1ccoc1[C@H](O)c1cnccn1 165085798 344258106 /nfs/dbraw/zinc/25/81/06/344258106.db2.gz MKAKSNGYECDLHK-SECBINFHSA-N 0 0 190.202 1.460 10 0 ADAERN CCNC(=O)c1cc(N)cc(F)c1 165101613 344258301 /nfs/dbraw/zinc/25/83/01/344258301.db2.gz GXSBQFDXNYFICA-UHFFFAOYSA-N 0 0 182.198 1.158 10 0 ADAERN CC(C)=CCn1ccnc(Cl)c1=O 165102618 344258564 /nfs/dbraw/zinc/25/85/64/344258564.db2.gz SHEOIKYHQMDDMW-UHFFFAOYSA-N 0 0 198.653 1.863 10 0 ADAERN CC(C)(C)OCC(=O)Nc1cnoc1 165119892 344258603 /nfs/dbraw/zinc/25/86/03/344258603.db2.gz DPWQXKJXNWJRCO-UHFFFAOYSA-N 0 0 198.222 1.428 10 0 ADAERN CNC(=O)c1cc(N)cc(Cl)c1 165100954 344258616 /nfs/dbraw/zinc/25/86/16/344258616.db2.gz NOSLVNSUYGRJEV-UHFFFAOYSA-N 0 0 184.626 1.282 10 0 ADAERN CCNC(=O)c1cc(N)cc(Cl)c1 165101464 344258623 /nfs/dbraw/zinc/25/86/23/344258623.db2.gz ZKMZEPUPFKWLAY-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN Cc1cnc(-c2ncc[nH]2)s1 164740914 344251577 /nfs/dbraw/zinc/25/15/77/344251577.db2.gz IESOOLZVEPNYAS-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN Cn1nccc1[C@@H]1NCCCS1 164767141 344251828 /nfs/dbraw/zinc/25/18/28/344251828.db2.gz JULIJJSZEBWEMS-MRVPVSSYSA-N 0 0 183.280 1.145 10 0 ADAERN C[C@@H]1CCS[C@@H](c2ccnn2C)N1 164767541 344251948 /nfs/dbraw/zinc/25/19/48/344251948.db2.gz POTXEGFBHUIBQA-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@@H]1CS[C@@H](c2ccnn2C)N1 164766896 344251982 /nfs/dbraw/zinc/25/19/82/344251982.db2.gz SLXZQYFZAQEGKB-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN CC(C)[C@H](C)Nc1cc(=O)[nH]cn1 165163344 344259030 /nfs/dbraw/zinc/25/90/30/344259030.db2.gz RCENZDCIOBOQSV-ZETCQYMHSA-N 0 0 181.239 1.226 10 0 ADAERN Cc1nc(NC2CC2)cc(=O)[nH]1 165166375 344259098 /nfs/dbraw/zinc/25/90/98/344259098.db2.gz UOHOOPDWEYREDV-UHFFFAOYSA-N 0 0 165.196 1.065 10 0 ADAERN CN(C)C(=O)c1cc(N)cc(F)c1 165148044 344259129 /nfs/dbraw/zinc/25/91/29/344259129.db2.gz IMGAVXJRJPEFQA-UHFFFAOYSA-N 0 0 182.198 1.110 10 0 ADAERN CC(C)c1cn2cccnc2n1 165200939 344260074 /nfs/dbraw/zinc/26/00/74/344260074.db2.gz PXPWNEQWVGTZED-UHFFFAOYSA-N 0 0 161.208 1.853 10 0 ADAERN CC1(Nc2ncc[nH]c2=O)CCCC1 165215052 344260075 /nfs/dbraw/zinc/26/00/75/344260075.db2.gz UFXHFUZHDNKBSO-UHFFFAOYSA-N 0 0 193.250 1.515 10 0 ADAERN Cc1nc(NCC(F)F)cc(=O)[nH]1 165315760 344261889 /nfs/dbraw/zinc/26/18/89/344261889.db2.gz MEFCYPUWWQEHLR-UHFFFAOYSA-N 0 0 189.165 1.168 10 0 ADAERN Nc1cccc(Cl)c1OC1COC1 165343836 344262169 /nfs/dbraw/zinc/26/21/69/344262169.db2.gz IAMHQAXJHDCEBR-UHFFFAOYSA-N 0 0 199.637 1.700 10 0 ADAERN Nc1cc(F)cc(OC2COC2)c1 165344865 344262173 /nfs/dbraw/zinc/26/21/73/344262173.db2.gz ZJBQJRSSUGJNIN-UHFFFAOYSA-N 0 0 183.182 1.186 10 0 ADAERN Cc1cc(N)cc(OC2COC2)c1 165340359 344262343 /nfs/dbraw/zinc/26/23/43/344262343.db2.gz VFSOQDFGDMSSQT-UHFFFAOYSA-N 0 0 179.219 1.355 10 0 ADAERN Nc1cc(F)cc(-c2nnco2)c1 165342207 344262379 /nfs/dbraw/zinc/26/23/79/344262379.db2.gz ZGTJAXDSYJWSSI-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN CC(C)(C)CNc1cn[nH]c(=O)c1 165370228 344262576 /nfs/dbraw/zinc/26/25/76/344262576.db2.gz JOLBUDHHOVOCCP-UHFFFAOYSA-N 0 0 181.239 1.228 10 0 ADAERN CC[C@H](C)CNc1cn[nH]c(=O)c1 165383889 344262983 /nfs/dbraw/zinc/26/29/83/344262983.db2.gz CMWMIHKRJJJCPF-ZETCQYMHSA-N 0 0 181.239 1.228 10 0 ADAERN COC(=O)c1nc2cc(C)c[nH]c-2n1 165426131 344263297 /nfs/dbraw/zinc/26/32/97/344263297.db2.gz RTSHSNULKAUWKR-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN Clc1cc(OC2COC2)ccn1 165472002 344264435 /nfs/dbraw/zinc/26/44/35/344264435.db2.gz FAUXLIHMUHCUPS-UHFFFAOYSA-N 0 0 185.610 1.513 10 0 ADAERN CC(=O)Nc1c(O)cccc1F 165603037 344267120 /nfs/dbraw/zinc/26/71/20/344267120.db2.gz WWQLYMAILGXGDX-UHFFFAOYSA-N 0 0 169.155 1.490 10 0 ADAERN C[C@@H]1NC(=O)O[C@H]1c1nccs1 165827073 344270616 /nfs/dbraw/zinc/27/06/16/344270616.db2.gz WUAJASLMYHDBPM-CRCLSJGQSA-N 0 0 184.220 1.313 10 0 ADAERN Cc1nn(C)c2c1NC[C@@H](C)[C@H](C)N2 165833488 344270626 /nfs/dbraw/zinc/27/06/26/344270626.db2.gz WGMYHVQTNDOWQI-RQJHMYQMSA-N 0 0 194.282 1.591 10 0 ADAERN NN[C@@H](c1cccs1)[C@H]1CCOC1 165819314 344270662 /nfs/dbraw/zinc/27/06/62/344270662.db2.gz ZUPRMJOTDPIMOK-IONNQARKSA-N 0 0 198.291 1.289 10 0 ADAERN C[C@H]1NC(=O)C[C@H]1C(C)(C)C 165848654 344271109 /nfs/dbraw/zinc/27/11/09/344271109.db2.gz WNEASMNLXVQGSZ-RNFRBKRXSA-N 0 0 155.241 1.557 10 0 ADAERN OCc1nc([C@@H]2CCC[NH2+]2)cs1 165849520 344271116 /nfs/dbraw/zinc/27/11/16/344271116.db2.gz YMQXZLGZAFZTJU-LURJTMIESA-N 0 0 184.264 1.060 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1C(C)(C)C 165848768 344271142 /nfs/dbraw/zinc/27/11/42/344271142.db2.gz WNEASMNLXVQGSZ-NKWVEPMBSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)(C)[C@H]1CC(=O)NC1(C)C 165849264 344271143 /nfs/dbraw/zinc/27/11/43/344271143.db2.gz AOGYRQSXIDOXPL-SSDOTTSWSA-N 0 0 169.268 1.947 10 0 ADAERN CC[C@@H]1NC(=O)C[C@H]1C(C)(C)C 165849517 344271157 /nfs/dbraw/zinc/27/11/57/344271157.db2.gz REJCGPQKCXVYOU-SFYZADRCSA-N 0 0 169.268 1.947 10 0 ADAERN OCc1cccc(Cl)c1CO 165846705 344271160 /nfs/dbraw/zinc/27/11/60/344271160.db2.gz NDQYVFKHPRRCSL-UHFFFAOYSA-N 0 0 172.611 1.325 10 0 ADAERN CC[C@@H](C)c1nc2cncnc2[nH]1 165875595 344271550 /nfs/dbraw/zinc/27/15/50/344271550.db2.gz HMHOUBUIOUZRIA-ZCFIWIBFSA-N 0 0 176.223 1.866 10 0 ADAERN CCCc1cnc(N)nc1C 165476502 344264659 /nfs/dbraw/zinc/26/46/59/344264659.db2.gz KVHFWPDZSJYZNF-UHFFFAOYSA-N 0 0 151.213 1.320 10 0 ADAERN C[C@@H]1CCCCN1c1nc(CO)co1 165949540 344272656 /nfs/dbraw/zinc/27/26/56/344272656.db2.gz HAHWKZNSINVBJO-MRVPVSSYSA-N 0 0 196.250 1.546 10 0 ADAERN CCN(C)C(=O)N1CC=C(C)CC1 165965177 344272664 /nfs/dbraw/zinc/27/26/64/344272664.db2.gz BPAASTPCDHDYNE-UHFFFAOYSA-N 0 0 182.267 1.710 10 0 ADAERN Cn1ccnc1C[C@]1(O)C=CCCC1 165943610 344272666 /nfs/dbraw/zinc/27/26/66/344272666.db2.gz UOWMSJXWYMBTIZ-NSHDSACASA-N 0 0 192.262 1.434 10 0 ADAERN CC[C@@H]1CCCN1c1nc(CO)co1 165947807 344272721 /nfs/dbraw/zinc/27/27/21/344272721.db2.gz JQBDVRRCPIQKRT-SECBINFHSA-N 0 0 196.250 1.546 10 0 ADAERN CC(C)[C@@H]1CCN(C(N)=S)C1 166029415 344273785 /nfs/dbraw/zinc/27/37/85/344273785.db2.gz KVKBDFJSVVWCNB-SSDOTTSWSA-N 0 0 172.297 1.208 10 0 ADAERN CC(C)(C)[C@H]1CCN(C(N)=S)C1 166029285 344273794 /nfs/dbraw/zinc/27/37/94/344273794.db2.gz YALCVJHTNDIIPJ-ZETCQYMHSA-N 0 0 186.324 1.598 10 0 ADAERN C=Cc1nc(OC)ccc1C(=O)OC 166051348 344273800 /nfs/dbraw/zinc/27/38/00/344273800.db2.gz XSBNILDVQXOHTA-UHFFFAOYSA-N 0 0 193.202 1.520 10 0 ADAERN CC(=O)CCC(=O)N1CC=C(C)CC1 166063859 344274323 /nfs/dbraw/zinc/27/43/23/344274323.db2.gz GPNMSQOPRZEUFP-UHFFFAOYSA-N 0 0 195.262 1.534 10 0 ADAERN CN(C)NC[C@H]1CCC(C)(C)O1 166138041 344275529 /nfs/dbraw/zinc/27/55/29/344275529.db2.gz YEQRMTQBOWNJQI-MRVPVSSYSA-N 0 0 172.272 1.010 10 0 ADAERN Nc1cc(F)ccc1-c1nnco1 166129903 344275534 /nfs/dbraw/zinc/27/55/34/344275534.db2.gz QKOQPLINJZDHQC-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Cn1nccc1NCc1cc[nH]c1 166123576 344275535 /nfs/dbraw/zinc/27/55/35/344275535.db2.gz VHXVAIJTEZSOAQ-UHFFFAOYSA-N 0 0 176.223 1.360 10 0 ADAERN CN(C)NC[C@@H]1CCC(C)(C)O1 166138146 344275545 /nfs/dbraw/zinc/27/55/45/344275545.db2.gz YEQRMTQBOWNJQI-QMMMGPOBSA-N 0 0 172.272 1.010 10 0 ADAERN CCn1cnnc1C(C)C 166146726 344275567 /nfs/dbraw/zinc/27/55/67/344275567.db2.gz ZDLFLYCWSQEQBQ-UHFFFAOYSA-N 0 0 139.202 1.421 10 0 ADAERN COCc1nncn1C(C)(C)C 166146581 344275580 /nfs/dbraw/zinc/27/55/80/344275580.db2.gz MUPLMJQOYWEMCB-UHFFFAOYSA-N 0 0 169.228 1.180 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc2cncnc2[nH]1 165872706 344271646 /nfs/dbraw/zinc/27/16/46/344271646.db2.gz DQZOIEZUSNWTPH-RITPCOANSA-N 0 0 174.207 1.476 10 0 ADAERN OCc1coc(N2CCCCC2)n1 165953119 344272652 /nfs/dbraw/zinc/27/26/52/344272652.db2.gz COFAMNXFFLDGLV-UHFFFAOYSA-N 0 0 182.223 1.157 10 0 ADAERN C[C@H]1CCCCN1c1nc(CO)co1 165949672 344272655 /nfs/dbraw/zinc/27/26/55/344272655.db2.gz HAHWKZNSINVBJO-QMMMGPOBSA-N 0 0 196.250 1.546 10 0 ADAERN CCNc1ccc(CO)c(C)n1 166275858 344277982 /nfs/dbraw/zinc/27/79/82/344277982.db2.gz SIVKWGJSHAKJEJ-UHFFFAOYSA-N 0 0 166.224 1.314 10 0 ADAERN CCNc1ncc(CO)cc1Cl 166275446 344277984 /nfs/dbraw/zinc/27/79/84/344277984.db2.gz IMFPZTIFMVDXCJ-UHFFFAOYSA-N 0 0 186.642 1.659 10 0 ADAERN CNc1ncc(CO)cc1Cl 166274050 344277992 /nfs/dbraw/zinc/27/79/92/344277992.db2.gz ZBDLXWOPMRACHC-UHFFFAOYSA-N 0 0 172.615 1.269 10 0 ADAERN CC(C)(C)Nc1ccc(CO)nn1 166282643 344277999 /nfs/dbraw/zinc/27/79/99/344277999.db2.gz UVGOIJUHYPGDIQ-UHFFFAOYSA-N 0 0 181.239 1.179 10 0 ADAERN CC(C)CNc1nc(CO)co1 166285922 344278472 /nfs/dbraw/zinc/27/84/72/344278472.db2.gz QKDYKIMLRHMZBN-UHFFFAOYSA-N 0 0 170.212 1.235 10 0 ADAERN CNc1cc(C)[nH+]cc1C[NH2+]C 166298821 344278474 /nfs/dbraw/zinc/27/84/74/344278474.db2.gz VKHQSYOBVHCKRP-UHFFFAOYSA-N 0 0 165.240 1.151 10 0 ADAERN CCn1cnc(Cl)c(Cl)c1=O 166299359 344278523 /nfs/dbraw/zinc/27/85/23/344278523.db2.gz UBKXXXQPUVLLOJ-UHFFFAOYSA-N 0 0 193.033 1.570 10 0 ADAERN CC(C)[C@@H](NN)c1ccncc1 166286593 344278524 /nfs/dbraw/zinc/27/85/24/344278524.db2.gz HATDNHRMIFODMU-SECBINFHSA-N 0 0 165.240 1.242 10 0 ADAERN CC(C)(C)[C@H]1CC[N@@H+](/C=C/C(=O)[O-])C1 166400680 344280627 /nfs/dbraw/zinc/28/06/27/344280627.db2.gz VMCQSJQBYPLFBB-IWGCBNPKSA-N 0 0 197.278 1.953 10 0 ADAERN CN(C)C(=O)c1cc(N)ncc1Cl 166537537 344283954 /nfs/dbraw/zinc/28/39/54/344283954.db2.gz WANTYFYEPZRDDP-UHFFFAOYSA-N 0 0 199.641 1.019 10 0 ADAERN CNc1cc(CO)cc(C(C)C)n1 166599260 344285527 /nfs/dbraw/zinc/28/55/27/344285527.db2.gz IBMGQQMYLYCUFX-UHFFFAOYSA-N 0 0 180.251 1.739 10 0 ADAERN Cc1nnc([C@@H](N)C(C)(C)C)o1 166693188 344287285 /nfs/dbraw/zinc/28/72/85/344287285.db2.gz BFJDESIQJJRCTH-ZCFIWIBFSA-N 0 0 169.228 1.424 10 0 ADAERN N=c1oc2ccc(O)cc2s1 166721009 344287784 /nfs/dbraw/zinc/28/77/84/344287784.db2.gz GXZZXIMTXDKQBZ-UHFFFAOYSA-N 0 0 167.189 1.679 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccc(N)cn1 166729134 344287788 /nfs/dbraw/zinc/28/77/88/344287788.db2.gz RUGSANUYCKSDCT-HTQZYQBOSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncc(N)cn1 166724876 344287795 /nfs/dbraw/zinc/28/77/95/344287795.db2.gz RCBUNGVUFWVCRY-RQJHMYQMSA-N 0 0 178.239 1.127 10 0 ADAERN O=Cc1cnc(N2CC=CCC2)nc1 166181351 344276017 /nfs/dbraw/zinc/27/60/17/344276017.db2.gz CICGYQVUBVLUBQ-UHFFFAOYSA-N 0 0 189.218 1.055 10 0 ADAERN O=Cc1ccc(N2CC=CCC2)o1 166182689 344276018 /nfs/dbraw/zinc/27/60/18/344276018.db2.gz BNECVWPKGIAIJD-UHFFFAOYSA-N 0 0 177.203 1.858 10 0 ADAERN CCC[C@@H]1CCN(C#N)C1 166190949 344276023 /nfs/dbraw/zinc/27/60/23/344276023.db2.gz GNCPGRQMPWRZAT-MRVPVSSYSA-N 0 0 138.214 1.589 10 0 ADAERN CC1(C)CC[C@H](CC(N)=S)O1 166166263 344276047 /nfs/dbraw/zinc/27/60/47/344276047.db2.gz AXBUEQIWWGMGFH-ZCFIWIBFSA-N 0 0 173.281 1.620 10 0 ADAERN O=c1cc(Cl)ncn1CC1CCC1 166248623 344277354 /nfs/dbraw/zinc/27/73/54/344277354.db2.gz PSERJXACQSQEBR-UHFFFAOYSA-N 0 0 198.653 1.697 10 0 ADAERN COc1cnc(NC(C)C)nc1 167021572 344295363 /nfs/dbraw/zinc/29/53/63/344295363.db2.gz VXXRRFMOHQCQAT-UHFFFAOYSA-N 0 0 167.212 1.306 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccncn1 167105517 344297162 /nfs/dbraw/zinc/29/71/62/344297162.db2.gz RWRZKEURVLSUTF-SFYZADRCSA-N 0 0 163.224 1.545 10 0 ADAERN C[C@H]1C[C@H]1CNc1nncs1 167100104 344297214 /nfs/dbraw/zinc/29/72/14/344297214.db2.gz BSVKEMQHIAGBGW-WDSKDSINSA-N 0 0 169.253 1.606 10 0 ADAERN COC(=O)Oc1cc(N)ccc1C 167140491 344298293 /nfs/dbraw/zinc/29/82/93/344298293.db2.gz OVXTURVIVNEADN-UHFFFAOYSA-N 0 0 181.191 1.722 10 0 ADAERN C[C@@H]1C[C@H]1Cn1cc[nH]c1=S 167154748 344298624 /nfs/dbraw/zinc/29/86/24/344298624.db2.gz JQQDHIAXEWONSJ-RQJHMYQMSA-N 0 0 168.265 1.828 10 0 ADAERN CC(C)[C@]1(CO)CCO[C@H]1C1CC1 167152698 344298774 /nfs/dbraw/zinc/29/87/74/344298774.db2.gz DSXCZRPAWHKWBT-WDEREUQCSA-N 0 0 184.279 1.820 10 0 ADAERN C[C@@H]1C[C@@H]1CN1CN=NC1=S 167158354 344298899 /nfs/dbraw/zinc/29/88/99/344298899.db2.gz IKKKUDNVYJCUJW-PHDIDXHHSA-N 0 0 169.253 1.223 10 0 ADAERN Cc1cc(F)cc([C@@H](C)NN)c1 167171634 344299249 /nfs/dbraw/zinc/29/92/49/344299249.db2.gz TWKHPOVTTMDQJZ-SSDOTTSWSA-N 0 0 168.215 1.658 10 0 ADAERN CC1N=NC(=S)N1C[C@@H]1C[C@H]1C 167159390 344299424 /nfs/dbraw/zinc/29/94/24/344299424.db2.gz GRWFHIKSRYTULB-VDTYLAMSSA-N 0 0 183.280 1.531 10 0 ADAERN NN[C@H](C1CCCCC1)[C@H]1CCOC1 167214647 344300165 /nfs/dbraw/zinc/30/01/65/344300165.db2.gz IUSRMCQKOZZBNC-WDEREUQCSA-N 0 0 198.310 1.435 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1nc(N)ns1 167360655 344303543 /nfs/dbraw/zinc/30/35/43/344303543.db2.gz IDWDNZZGJCGRPN-RFZPGFLSSA-N 0 0 184.268 1.188 10 0 ADAERN C[C@H]1C[C@H]1Cn1cncc1C=O 167354930 344303547 /nfs/dbraw/zinc/30/35/47/344303547.db2.gz KVYZXEMGVRTQRC-YUMQZZPRSA-N 0 0 164.208 1.352 10 0 ADAERN CCn1ccnc1-c1ccncc1N 166766754 344288963 /nfs/dbraw/zinc/28/89/63/344288963.db2.gz OJRXESYKXJLIQL-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN COCn1ccc2cccc(N)c21 166792285 344289414 /nfs/dbraw/zinc/28/94/14/344289414.db2.gz VXYMCGWPLUWQRG-UHFFFAOYSA-N 0 0 176.219 1.827 10 0 ADAERN CC[C@H]1CCN(c2cnc(N)cn2)C1 166843686 344290822 /nfs/dbraw/zinc/29/08/22/344290822.db2.gz MSSYBNBGQFWNLP-QMMMGPOBSA-N 0 0 192.266 1.295 10 0 ADAERN Cn1cc([C@@]2(C)CCC(=O)C2)cn1 166885065 344291893 /nfs/dbraw/zinc/29/18/93/344291893.db2.gz UBRBEVFJIKLDTP-JTQLQIEISA-N 0 0 178.235 1.431 10 0 ADAERN CC(C)(C)[C@H](NN)C1CCOCC1 167464172 344305916 /nfs/dbraw/zinc/30/59/16/344305916.db2.gz WENPXCNPZBCGLP-SECBINFHSA-N 0 0 186.299 1.291 10 0 ADAERN CC(C)(C)[C@@H](NN)c1ccoc1 167507065 344306667 /nfs/dbraw/zinc/30/66/67/344306667.db2.gz QZFOUIIMERNLOU-QMMMGPOBSA-N 0 0 168.240 1.830 10 0 ADAERN Cc1cccn2nccc12 167534914 344307324 /nfs/dbraw/zinc/30/73/24/344307324.db2.gz IUICQPBDXPOULD-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN COc1nccnc1[C@H]1CC[C@H](O)C1 167579265 344308886 /nfs/dbraw/zinc/30/88/86/344308886.db2.gz WHCFCNQCTRKCJX-YUMQZZPRSA-N 0 0 194.234 1.114 10 0 ADAERN C[C@H]1C[C@@H](O)C(=O)c2ccccc21 167606627 344309467 /nfs/dbraw/zinc/30/94/67/344309467.db2.gz KTQORUVDGQBZCH-OIBJUYFYSA-N 0 0 176.215 1.737 10 0 ADAERN C[C@@H]1C[C@@H](O)C(=O)c2ccccc21 167606531 344309474 /nfs/dbraw/zinc/30/94/74/344309474.db2.gz KTQORUVDGQBZCH-GMSGAONNSA-N 0 0 176.215 1.737 10 0 ADAERN CO[C@@H](C)C[C@H](C)CO 167686823 344311613 /nfs/dbraw/zinc/31/16/13/344311613.db2.gz ZFQGUPYRNLYXQR-BQBZGAKWSA-N 0 0 132.203 1.040 10 0 ADAERN NN[C@@H](c1cncnc1)C1CCCC1 167685836 344311619 /nfs/dbraw/zinc/31/16/19/344311619.db2.gz HDYDPLBZLSLIDQ-SNVBAGLBSA-N 0 0 192.266 1.171 10 0 ADAERN NN[C@@H](C1CCCC1)[C@H]1CCOC1 167685157 344311691 /nfs/dbraw/zinc/31/16/91/344311691.db2.gz PFFHMMDVUMPYKM-UWVGGRQHSA-N 0 0 184.283 1.045 10 0 ADAERN COc1cc(OC)c2nccnc2c1 167732167 344313024 /nfs/dbraw/zinc/31/30/24/344313024.db2.gz ZTWLGBTVSFLUMI-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN CC(C)C(=O)[C@@H]1CC[C@H](C)O1 167725844 344313079 /nfs/dbraw/zinc/31/30/79/344313079.db2.gz JXRVPBSMRMQKMZ-YUMQZZPRSA-N 0 0 156.225 1.779 10 0 ADAERN Cc1cc(N2CCCCO2)ncc1N 167355620 344303552 /nfs/dbraw/zinc/30/35/52/344303552.db2.gz UFEOTEWRKXWVLB-UHFFFAOYSA-N 0 0 193.250 1.504 10 0 ADAERN NN[C@H](c1ccccc1F)C1CC1 167360287 344303560 /nfs/dbraw/zinc/30/35/60/344303560.db2.gz WOFOOFMGFANHNO-JTQLQIEISA-N 0 0 180.226 1.740 10 0 ADAERN C[C@@H]1C[C@H]1CNc1cncc(N)n1 167370322 344304007 /nfs/dbraw/zinc/30/40/07/344304007.db2.gz RUUKLSPPMRVWSO-RQJHMYQMSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1nc(N)ncc1F 167399807 344304354 /nfs/dbraw/zinc/30/43/54/344304354.db2.gz PMXQLNNETLFBMM-PHDIDXHHSA-N 0 0 196.229 1.266 10 0 ADAERN O[C@@H](C1=CCCCO1)c1cccnc1 167440082 344305498 /nfs/dbraw/zinc/30/54/98/344305498.db2.gz IMPMNONNLODBAT-LLVKDONJSA-N 0 0 191.230 1.809 10 0 ADAERN Cc1cc(C(=O)c2cncnc2)co1 167925327 344317232 /nfs/dbraw/zinc/31/72/32/344317232.db2.gz YSCNYMAJGCLXGS-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN CCN1C(=O)NCC(CC)(CC)C1=O 168037603 344319612 /nfs/dbraw/zinc/31/96/12/344319612.db2.gz FPCYHSOQHWGYFG-UHFFFAOYSA-N 0 0 198.266 1.365 10 0 ADAERN O[C@H]1Cc2ccc(Cl)cc2C1 168101904 344320709 /nfs/dbraw/zinc/32/07/09/344320709.db2.gz GJASWIDTSFDSIH-VIFPVBQESA-N 0 0 168.623 1.800 10 0 ADAERN Cc1nccn1-c1ncc(Cl)cn1 168160687 344322164 /nfs/dbraw/zinc/32/21/64/344322164.db2.gz ZJNLEFICVWIDPM-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN C[C@H]1Cc2ccccc2N1C#N 168158102 344322244 /nfs/dbraw/zinc/32/22/44/344322244.db2.gz CULRNTOBKYNMFP-QMMMGPOBSA-N 0 0 158.204 1.919 10 0 ADAERN C[C@H]1CCCN(C#N)[C@@H]1C 168195898 344323919 /nfs/dbraw/zinc/32/39/19/344323919.db2.gz BPJMKLAZFXYMKZ-JGVFFNPUSA-N 0 0 138.214 1.588 10 0 ADAERN N[C@@H](C1=CCCO1)c1cncs1 168240538 344326209 /nfs/dbraw/zinc/32/62/09/344326209.db2.gz PQAIGNUUKFXEMW-QMMMGPOBSA-N 0 0 182.248 1.447 10 0 ADAERN Cc1ccc(C(=O)c2cnccn2)o1 168295304 344327352 /nfs/dbraw/zinc/32/73/52/344327352.db2.gz NHTHCJIXJRUZPB-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2cnccn2)CO1 168296741 344327402 /nfs/dbraw/zinc/32/74/02/344327402.db2.gz KITHVMJUOMDCCW-YUMQZZPRSA-N 0 0 192.218 1.084 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)C1=CCCCO1 167834957 344315261 /nfs/dbraw/zinc/31/52/61/344315261.db2.gz JYMMCTYVXWHOSN-MRTMQBJTSA-N 0 0 168.236 1.698 10 0 ADAERN NN[C@@H](C1=CCCCO1)c1ccco1 167886103 344316093 /nfs/dbraw/zinc/31/60/93/344316093.db2.gz MKGDIQQDYQCSNO-JTQLQIEISA-N 0 0 194.234 1.478 10 0 ADAERN O=C1NCC[C@@H]1[C@H]1C=CCCC1 167876468 344316144 /nfs/dbraw/zinc/31/61/44/344316144.db2.gz NNTCYAOTGBUERP-DTWKUNHWSA-N 0 0 165.236 1.479 10 0 ADAERN CCc1cccc([C@]2(O)CCOC2)c1 167904511 344316524 /nfs/dbraw/zinc/31/65/24/344316524.db2.gz AJMVFRAHHDBKBA-LBPRGKRZSA-N 0 0 192.258 1.857 10 0 ADAERN CC(C)[C@H](CO)C1(C)OCCO1 167891978 344316533 /nfs/dbraw/zinc/31/65/33/344316533.db2.gz CPEIESUGGQVTKU-QMMMGPOBSA-N 0 0 174.240 1.014 10 0 ADAERN CCc1cccc([C@@]2(O)CCOC2)c1 167904617 344316548 /nfs/dbraw/zinc/31/65/48/344316548.db2.gz AJMVFRAHHDBKBA-GFCCVEGCSA-N 0 0 192.258 1.857 10 0 ADAERN COCC(=O)c1ccc(C)c(N)c1 167918327 344317220 /nfs/dbraw/zinc/31/72/20/344317220.db2.gz IOSHNIZVPSMDDP-UHFFFAOYSA-N 0 0 179.219 1.406 10 0 ADAERN N[C@@H](C1=CCCO1)C(F)(F)F 168470521 344331418 /nfs/dbraw/zinc/33/14/18/344331418.db2.gz XCRXBFAAMCQULD-YFKPBYRVSA-N 0 0 167.130 1.180 10 0 ADAERN CCn1cnc2c(O)cccc2c1=O 168471076 344331426 /nfs/dbraw/zinc/33/14/26/344331426.db2.gz DAOVDFDUGQRUEE-UHFFFAOYSA-N 0 0 190.202 1.122 10 0 ADAERN N[C@H](C1=CCCO1)C(F)(F)F 168470610 344331458 /nfs/dbraw/zinc/33/14/58/344331458.db2.gz XCRXBFAAMCQULD-RXMQYKEDSA-N 0 0 167.130 1.180 10 0 ADAERN C[C@]1([C@H]([NH3+])C2=CCCO2)CCCS1 168493225 344332026 /nfs/dbraw/zinc/33/20/26/344332026.db2.gz WSEVOZVQGJKZDY-NXEZZACHSA-N 0 0 199.319 1.904 10 0 ADAERN Cc1cc([C@H](O)C2=CCCO2)n(C)n1 168527961 344332505 /nfs/dbraw/zinc/33/25/05/344332505.db2.gz GYEJFPKAHJSCQQ-JTQLQIEISA-N 0 0 194.234 1.066 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)C1CC1 168636802 344334086 /nfs/dbraw/zinc/33/40/86/344334086.db2.gz CYYGESDQFCUZJT-XPUUQOCRSA-N 0 0 154.209 1.391 10 0 ADAERN CC(C)([NH3+])C(=O)c1cncc(F)c1 168679813 344335106 /nfs/dbraw/zinc/33/51/06/344335106.db2.gz JFLFVTMDGQKGFJ-UHFFFAOYSA-N 0 0 182.198 1.141 10 0 ADAERN Cc1nn(C)c2c1NCC1(CC1)CN2 168683059 344335212 /nfs/dbraw/zinc/33/52/12/344335212.db2.gz UGGFCFOTCSSBEU-UHFFFAOYSA-N 0 0 192.266 1.346 10 0 ADAERN COc1cnc(C=O)cc1C 168800129 344337504 /nfs/dbraw/zinc/33/75/04/344337504.db2.gz CAIYSTFLJYBPRM-UHFFFAOYSA-N 0 0 151.165 1.211 10 0 ADAERN OCc1noc([C@H]2CCCS2)n1 168849335 344338610 /nfs/dbraw/zinc/33/86/10/344338610.db2.gz FYFHZHOTGMRGBA-RXMQYKEDSA-N 0 0 186.236 1.130 10 0 ADAERN Cc1ccc2nc(C)nc(N)c2c1 168922434 344339884 /nfs/dbraw/zinc/33/98/84/344339884.db2.gz ISATXQRDPGKPJD-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN CN[C@H](C1=CCCO1)c1csnn1 168380336 344329758 /nfs/dbraw/zinc/32/97/58/344329758.db2.gz YHLUFRNDMGQNIX-QMMMGPOBSA-N 0 0 197.263 1.103 10 0 ADAERN C[C@@H](c1ccco1)N1CCNC1=O 169081464 344343883 /nfs/dbraw/zinc/34/38/83/344343883.db2.gz TVYHISZRCQNSNK-ZETCQYMHSA-N 0 0 180.207 1.366 10 0 ADAERN C[C@@H](c1cccs1)N1CCNC1=O 169082318 344343904 /nfs/dbraw/zinc/34/39/04/344343904.db2.gz PRELRHNLGKDRHL-ZETCQYMHSA-N 0 0 196.275 1.834 10 0 ADAERN Cc1cc2ccc(=O)[nH]c2cc1F 169120876 344345941 /nfs/dbraw/zinc/34/59/41/344345941.db2.gz ZNIHIKAVRUMGET-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN C[C@@H](c1ccco1)N1CCCNC1=O 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TZICGDKVZAHVNO-IUCAKERBSA-N 0 0 185.267 1.075 10 0 ADAERN Cc1cnn(C[C@H]2CCSC2)c1N 224485459 344469701 /nfs/dbraw/zinc/46/97/01/344469701.db2.gz GBQHTNXLOZWUCL-MRVPVSSYSA-N 0 0 197.307 1.527 10 0 ADAERN CCC(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1 224479973 344469702 /nfs/dbraw/zinc/46/97/02/344469702.db2.gz OAEQRIVJCWJKRC-GUBZILKMSA-N 0 0 199.294 1.463 10 0 ADAERN Nc1ccnn1C[C@@H]1CCSC1 224485298 344469704 /nfs/dbraw/zinc/46/97/04/344469704.db2.gz CJHSMGHZYWIXJU-ZETCQYMHSA-N 0 0 183.280 1.218 10 0 ADAERN Nc1ccnn1C[C@H]1CCSC1 224485348 344469718 /nfs/dbraw/zinc/46/97/18/344469718.db2.gz CJHSMGHZYWIXJU-SSDOTTSWSA-N 0 0 183.280 1.218 10 0 ADAERN CC1(C)C(=O)Nc2cc(C=O)ccc21 224535516 344470212 /nfs/dbraw/zinc/47/02/12/344470212.db2.gz KUMPXUXGSZROBZ-UHFFFAOYSA-N 0 0 189.214 1.729 10 0 ADAERN COC(=O)C/C=C/C(C)C 224570364 344470774 /nfs/dbraw/zinc/47/07/74/344470774.db2.gz FRRWRABGCSNLCT-SNAWJCMRSA-N 0 0 142.198 1.762 10 0 ADAERN C[C@H]1[C@H](C)CCC[N@H+]1[C@H](C)C(=O)[O-] 224705722 344472531 /nfs/dbraw/zinc/47/25/31/344472531.db2.gz SPLLXNVYWMSCFY-HRDYMLBCSA-N 0 0 185.267 1.580 10 0 ADAERN NC(=S)N[C@@H]1CC2CCC1CC2 224848133 344474155 /nfs/dbraw/zinc/47/41/55/344474155.db2.gz OBFSAYHOKCGCDZ-KAVNDROISA-N 0 0 184.308 1.398 10 0 ADAERN CC(=O)[C@H](C)[C@H]1CCCOC1 224927643 344474851 /nfs/dbraw/zinc/47/48/51/344474851.db2.gz BCTKBIGXEPJABH-CBAPKCEASA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@]1(C)[C@H](O)C[C@@H]1c1cnn(C)c1 225047979 344475517 /nfs/dbraw/zinc/47/55/17/344475517.db2.gz WGBWFWNNILECBH-MXWKQRLJSA-N 0 0 194.278 1.685 10 0 ADAERN Cc1ccc(Nc2nnc(N)o2)cc1 225754546 344485909 /nfs/dbraw/zinc/48/59/09/344485909.db2.gz LSZFXAOIIPIWEX-UHFFFAOYSA-N 0 0 190.206 1.704 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 225462940 344481634 /nfs/dbraw/zinc/48/16/34/344481634.db2.gz LJTWXGYZDQZDBS-UTLUCORTSA-N 0 0 196.294 1.043 10 0 ADAERN COC[C@H](O)CN(C)c1ccccc1 225471186 344481649 /nfs/dbraw/zinc/48/16/49/344481649.db2.gz QUOTVOXSTAKUOB-LLVKDONJSA-N 0 0 195.262 1.130 10 0 ADAERN C[C@H](N)c1nc([C@H]2CC2(C)C)no1 225473050 344482142 /nfs/dbraw/zinc/48/21/42/344482142.db2.gz SBJFSYLOBZIABZ-NTSWFWBYSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@H]1C[C@H](C)CC[N@H+]1C[C@@H](C)C(=O)[O-] 225736218 344485206 /nfs/dbraw/zinc/48/52/06/344485206.db2.gz CPIOLWCURLESGA-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1ncnc(NCC2CC2)c1F 226315468 344498575 /nfs/dbraw/zinc/49/85/75/344498575.db2.gz SSYYKDVDOKMWAP-UHFFFAOYSA-N 0 0 181.214 1.746 10 0 ADAERN CC[C@]1(C2CC2)CCC(=O)NC1 226317605 344498578 /nfs/dbraw/zinc/49/85/78/344498578.db2.gz WZAGCYKGDSBBIQ-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN Cc1ncnc(NC[C@@H]2C[C@H]2C)c1F 226316279 344498583 /nfs/dbraw/zinc/49/85/83/344498583.db2.gz QWRGHLHPCDWGPP-SVRRBLITSA-N 0 0 195.241 1.992 10 0 ADAERN C[C@]1(CC2CC2)CCC(=O)NC1 226318213 344498586 /nfs/dbraw/zinc/49/85/86/344498586.db2.gz UFXFAUVWUZSQDB-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@@]1(CC2CC2)CCC(=O)NC1 226318206 344498587 /nfs/dbraw/zinc/49/85/87/344498587.db2.gz UFXFAUVWUZSQDB-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN CCC[C@]1(C)CCC(=O)NC1 226317916 344498589 /nfs/dbraw/zinc/49/85/89/344498589.db2.gz NJARYIGVDSRFQK-SECBINFHSA-N 0 0 155.241 1.703 10 0 ADAERN Cc1ncnc(NC[C@@H]2C[C@@H]2C)c1F 226316267 344498599 /nfs/dbraw/zinc/49/85/99/344498599.db2.gz QWRGHLHPCDWGPP-XPUUQOCRSA-N 0 0 195.241 1.992 10 0 ADAERN C[C@]1(C2CC2)CCC(=O)NC1 226318317 344498925 /nfs/dbraw/zinc/49/89/25/344498925.db2.gz ABWTZNTXVZYQIV-VIFPVBQESA-N 0 0 153.225 1.313 10 0 ADAERN CC(C)C[C@@]1(C)CCC(=O)NC1 226320398 344498927 /nfs/dbraw/zinc/49/89/27/344498927.db2.gz GTCHEQFOUWECGR-SNVBAGLBSA-N 0 0 169.268 1.949 10 0 ADAERN C[C@@H]1CC2(CCC(=O)NC2)C[C@@H](C)O1 226318643 344499018 /nfs/dbraw/zinc/49/90/18/344499018.db2.gz PIKWYGZPVFSXIN-RKDXNWHRSA-N 0 0 197.278 1.470 10 0 ADAERN COC1CCC2(CCC(=O)NC2)CC1 226319466 344499019 /nfs/dbraw/zinc/49/90/19/344499019.db2.gz XRZDHHBEUIFIKT-UHFFFAOYSA-N 0 0 197.278 1.472 10 0 ADAERN C[C@H]1CCC[C@]12CCC(=O)NC2 226318919 344499020 /nfs/dbraw/zinc/49/90/20/344499020.db2.gz HDPSLBWKYKNDNO-WCBMZHEXSA-N 0 0 167.252 1.703 10 0 ADAERN CC1([C@]2(C)CCC(=O)NC2)CC1 226319029 344499022 /nfs/dbraw/zinc/49/90/22/344499022.db2.gz TZUFHWNVLGHZFH-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@@]1(c2ccoc2)CCC(=O)NC1 226319752 344499024 /nfs/dbraw/zinc/49/90/24/344499024.db2.gz SXCFOWMHIGDKCZ-SNVBAGLBSA-N 0 0 179.219 1.447 10 0 ADAERN C[C@@H]1CCC[C@]12CCC(=O)NC2 226318914 344499026 /nfs/dbraw/zinc/49/90/26/344499026.db2.gz HDPSLBWKYKNDNO-PSASIEDQSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@@H]1C[C@@]2(CCO1)CCC(=O)NC2 226320438 344499027 /nfs/dbraw/zinc/49/90/27/344499027.db2.gz HSMGFDFRFVCUPG-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1CCC(C2CC2)(C2CC2)CN1 226319937 344499028 /nfs/dbraw/zinc/49/90/28/344499028.db2.gz RJOIXAKFHTWESA-UHFFFAOYSA-N 0 0 179.263 1.703 10 0 ADAERN CC(C)C[C@]1(C)CCC(=O)NC1 226320400 344499029 /nfs/dbraw/zinc/49/90/29/344499029.db2.gz GTCHEQFOUWECGR-JTQLQIEISA-N 0 0 169.268 1.949 10 0 ADAERN CC[C@H](C)[C@@]1(C)CCC(=O)NC1 226318686 344499031 /nfs/dbraw/zinc/49/90/31/344499031.db2.gz ZPYBSXKYBILHDF-WPRPVWTQSA-N 0 0 169.268 1.949 10 0 ADAERN O=C1CC[C@@]2(CCCOCC2)CN1 226318559 344499032 /nfs/dbraw/zinc/49/90/32/344499032.db2.gz PDKPQLHXSVQPCJ-SNVBAGLBSA-N 0 0 183.251 1.083 10 0 ADAERN CC(C)(C)[C@]1(C)CCC(=O)NC1 226318775 344499035 /nfs/dbraw/zinc/49/90/35/344499035.db2.gz AGCJBMAZURRFHG-SNVBAGLBSA-N 0 0 169.268 1.949 10 0 ADAERN CCC[C@H](C)SC[C@@H](O)CO 226357044 344500329 /nfs/dbraw/zinc/50/03/29/344500329.db2.gz RNYBLEHHATUJPQ-YUMQZZPRSA-N 0 0 178.297 1.261 10 0 ADAERN CCC[C@@H](C)SC[C@@H](O)CO 226357040 344500335 /nfs/dbraw/zinc/50/03/35/344500335.db2.gz RNYBLEHHATUJPQ-SFYZADRCSA-N 0 0 178.297 1.261 10 0 ADAERN CCC[C@@H](C)SC[C@H](O)CO 226357047 344500346 /nfs/dbraw/zinc/50/03/46/344500346.db2.gz RNYBLEHHATUJPQ-HTQZYQBOSA-N 0 0 178.297 1.261 10 0 ADAERN CCCOCC(=O)N1C[C@@H](C)C[C@@H]1C 226138616 344492730 /nfs/dbraw/zinc/49/27/30/344492730.db2.gz ATTANNRNHIQBBR-UWVGGRQHSA-N 0 0 199.294 1.670 10 0 ADAERN NC1(C(=O)c2cccc(F)c2)CC1 226435088 344503233 /nfs/dbraw/zinc/50/32/33/344503233.db2.gz GXMACPFKJVWNHA-UHFFFAOYSA-N 0 0 179.194 1.500 10 0 ADAERN CCc1cnc([C@H]2COCCN2)s1 226469850 344504168 /nfs/dbraw/zinc/50/41/68/344504168.db2.gz NXGGWJUDLRWIRY-MRVPVSSYSA-N 0 0 198.291 1.366 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@@H](O)c1ccc[nH]1 226522749 344505592 /nfs/dbraw/zinc/50/55/92/344505592.db2.gz FUMXJZJKXKJRPH-QXFUBDJGSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@@H](O)C1=CCCC1 226522315 344505595 /nfs/dbraw/zinc/50/55/95/344505595.db2.gz PPJYIVIQHPAXRE-LSJOCFKGSA-N 0 0 182.263 1.883 10 0 ADAERN O=C(C1CCC1)[C@H]1CCCCC[NH2+]1 226522961 344505603 /nfs/dbraw/zinc/50/56/03/344505603.db2.gz RVAWTJFWFLETDD-SNVBAGLBSA-N 0 0 181.279 1.888 10 0 ADAERN O=C(C1CC1)[C@@H]1CCCCC[NH2+]1 226522722 344505605 /nfs/dbraw/zinc/50/56/05/344505605.db2.gz AMORJTQHYKKOML-VIFPVBQESA-N 0 0 167.252 1.498 10 0 ADAERN CC1(C)C[C@@H]1CNc1cncc(N)n1 226531048 344505615 /nfs/dbraw/zinc/50/56/15/344505615.db2.gz DDYARBVFMDFAON-SSDOTTSWSA-N 0 0 192.266 1.517 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@@H](O)c1ccc[nH]1 226522736 344505620 /nfs/dbraw/zinc/50/56/20/344505620.db2.gz FUMXJZJKXKJRPH-OYNCUSHFSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@@H](O)c1cc[nH]c1 226522763 344505627 /nfs/dbraw/zinc/50/56/27/344505627.db2.gz LAMANONDGGVSBG-HGNGGELXSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@@H](O)C1=CCCC1 226522324 344505631 /nfs/dbraw/zinc/50/56/31/344505631.db2.gz PPJYIVIQHPAXRE-GDPRMGEGSA-N 0 0 182.263 1.883 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@@H](O)c1cc[nH]c1 226522780 344505649 /nfs/dbraw/zinc/50/56/49/344505649.db2.gz LAMANONDGGVSBG-SFGNSQDASA-N 0 0 181.235 1.473 10 0 ADAERN O=C(C1CCC1)[C@@H]1CCCCC[NH2+]1 226522956 344505650 /nfs/dbraw/zinc/50/56/50/344505650.db2.gz RVAWTJFWFLETDD-JTQLQIEISA-N 0 0 181.279 1.888 10 0 ADAERN O=C(C1CC1)[C@H]1CCCCC[NH2+]1 226522727 344505660 /nfs/dbraw/zinc/50/56/60/344505660.db2.gz AMORJTQHYKKOML-SECBINFHSA-N 0 0 167.252 1.498 10 0 ADAERN C[C@H](Nc1nccnc1N)C1CC1 226569225 344506860 /nfs/dbraw/zinc/50/68/60/344506860.db2.gz HGGQEHAYYPSRAR-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1CCC[C@@H]1C1N=NC(=S)N1N 226617272 344508485 /nfs/dbraw/zinc/50/84/85/344508485.db2.gz GQEDNDNSCSDLAQ-RITPCOANSA-N 0 0 198.295 1.184 10 0 ADAERN CCC(C)(CC)NS(C)(=O)=O 226643544 344509594 /nfs/dbraw/zinc/50/95/94/344509594.db2.gz ONKJWRZAEIWFKD-UHFFFAOYSA-N 0 0 179.285 1.114 10 0 ADAERN C[C@H]1CCC[C@H]1c1nnc(CN)o1 226698913 344510290 /nfs/dbraw/zinc/51/02/90/344510290.db2.gz ZECCXNCOVFJHQF-NKWVEPMBSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@@H]1CCC[C@H]1c1nc(N)no1 226694974 344510299 /nfs/dbraw/zinc/51/02/99/344510299.db2.gz FWQPJCHKVABPSW-PHDIDXHHSA-N 0 0 167.212 1.555 10 0 ADAERN CC1(C)CCC[C@H]1c1nc(N)no1 226695006 344510301 /nfs/dbraw/zinc/51/03/01/344510301.db2.gz DFFVRKXERWSXNZ-LURJTMIESA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1nc(CN)no1 226693337 344510303 /nfs/dbraw/zinc/51/03/03/344510303.db2.gz VLUCYOFHAWYEIU-RQJHMYQMSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1nnc(CN)o1 226698893 344510407 /nfs/dbraw/zinc/51/04/07/344510407.db2.gz ZECCXNCOVFJHQF-RQJHMYQMSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1nc(N)no1 226694964 344510416 /nfs/dbraw/zinc/51/04/16/344510416.db2.gz FWQPJCHKVABPSW-RITPCOANSA-N 0 0 167.212 1.555 10 0 ADAERN C[C@H]1CCC[C@H]1c1nc(CN)no1 226693357 344510419 /nfs/dbraw/zinc/51/04/19/344510419.db2.gz VLUCYOFHAWYEIU-NKWVEPMBSA-N 0 0 181.239 1.432 10 0 ADAERN CCC(C)(CC)NC(=O)N(C)C 226519099 344505675 /nfs/dbraw/zinc/50/56/75/344505675.db2.gz QJXWXJGMKGUKPW-UHFFFAOYSA-N 0 0 172.272 1.836 10 0 ADAERN CC1(C)C[C@H]1CNc1cncc(N)n1 226531052 344505677 /nfs/dbraw/zinc/50/56/77/344505677.db2.gz DDYARBVFMDFAON-ZETCQYMHSA-N 0 0 192.266 1.517 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1nnc(N)o1 226540579 344506407 /nfs/dbraw/zinc/50/64/07/344506407.db2.gz LEMLWDITAZRSMC-RITPCOANSA-N 0 0 167.212 1.555 10 0 ADAERN C[C@]1(Nc2ncc(N)s2)CCOC1 226752290 344512314 /nfs/dbraw/zinc/51/23/14/344512314.db2.gz HWZSHQBAZNBBQB-QMMMGPOBSA-N 0 0 199.279 1.316 10 0 ADAERN C[C@@H]1CN(c2ncc(N)s2)C[C@@H]1C 226747047 344512316 /nfs/dbraw/zinc/51/23/16/344512316.db2.gz QLHMGVFFLJFDKN-KNVOCYPGSA-N 0 0 197.307 1.818 10 0 ADAERN CC1(C)CCN(c2ncc(N)s2)C1 226747901 344512318 /nfs/dbraw/zinc/51/23/18/344512318.db2.gz LPDHZCMYROPMQS-UHFFFAOYSA-N 0 0 197.307 1.962 10 0 ADAERN Nc1cnc(N2CCCCO2)s1 226751122 344512325 /nfs/dbraw/zinc/51/23/25/344512325.db2.gz QWRWQXHBTOAIRR-UHFFFAOYSA-N 0 0 185.252 1.257 10 0 ADAERN CC[C@@H]1CCN(c2ncc(N)s2)C1 226751667 344512332 /nfs/dbraw/zinc/51/23/32/344512332.db2.gz KMHIXPPSCRGCPE-SSDOTTSWSA-N 0 0 197.307 1.962 10 0 ADAERN C[C@@H]1CN(c2ncc(N)s2)C[C@H]1C 226747064 344512333 /nfs/dbraw/zinc/51/23/33/344512333.db2.gz QLHMGVFFLJFDKN-RNFRBKRXSA-N 0 0 197.307 1.818 10 0 ADAERN Cn1cc(Nc2ncc(N)s2)cn1 226747598 344512334 /nfs/dbraw/zinc/51/23/34/344512334.db2.gz DJWDZSXXJJBAED-UHFFFAOYSA-N 0 0 195.251 1.202 10 0 ADAERN C[C@H]1OCC[C@H]1Nc1ncc(N)s1 226749818 344512336 /nfs/dbraw/zinc/51/23/36/344512336.db2.gz CHQSHGUKJDRFFJ-PHDIDXHHSA-N 0 0 199.279 1.315 10 0 ADAERN Nc1cnc(NC2(CO)CCC2)s1 226752909 344512344 /nfs/dbraw/zinc/51/23/44/344512344.db2.gz RXLLNTVREVPTIM-UHFFFAOYSA-N 0 0 199.279 1.052 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1ncc(N)s1 226753074 344512347 /nfs/dbraw/zinc/51/23/47/344512347.db2.gz FUBCVCWTCOZVDM-RQJHMYQMSA-N 0 0 197.307 1.960 10 0 ADAERN C[C@H]1CN(c2ncc(N)s2)C[C@@H]1C 226747056 344512349 /nfs/dbraw/zinc/51/23/49/344512349.db2.gz QLHMGVFFLJFDKN-BQBZGAKWSA-N 0 0 197.307 1.818 10 0 ADAERN Cn1ccc(Nc2ncc(N)s2)n1 226747625 344512360 /nfs/dbraw/zinc/51/23/60/344512360.db2.gz PDFFPVOHQVASEE-UHFFFAOYSA-N 0 0 195.251 1.202 10 0 ADAERN C[C@H]1OCC[C@@H]1Nc1ncc(N)s1 226749804 344512363 /nfs/dbraw/zinc/51/23/63/344512363.db2.gz CHQSHGUKJDRFFJ-RITPCOANSA-N 0 0 199.279 1.315 10 0 ADAERN Nc1cnc(NCc2ccon2)s1 226748835 344512368 /nfs/dbraw/zinc/51/23/68/344512368.db2.gz MHUZNBAMPOWNKP-UHFFFAOYSA-N 0 0 196.235 1.325 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncc(N)s1 226751882 344512369 /nfs/dbraw/zinc/51/23/69/344512369.db2.gz VDQFHYOGVWLBCE-RITPCOANSA-N 0 0 183.280 1.793 10 0 ADAERN CC[C@H]1CCN(c2ncc(N)s2)C1 226751672 344512370 /nfs/dbraw/zinc/51/23/70/344512370.db2.gz KMHIXPPSCRGCPE-ZETCQYMHSA-N 0 0 197.307 1.962 10 0 ADAERN COC(=O)[C@@H](C)NCC1(C)CCC1 226774270 344513292 /nfs/dbraw/zinc/51/32/92/344513292.db2.gz RFVMSBKUNZPOON-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CC1(C)CCC[C@H]1CS(N)(=O)=O 226776117 344513308 /nfs/dbraw/zinc/51/33/08/344513308.db2.gz ULHQBCFWJKVGPO-ZETCQYMHSA-N 0 0 191.296 1.101 10 0 ADAERN C[C@@H]1O[C@H](C)[C@@H](C2(O)CC2)[C@@H]1C 226765576 344513315 /nfs/dbraw/zinc/51/33/15/344513315.db2.gz CKJMLYJSKRUYCW-XAVMHZPKSA-N 0 0 170.252 1.571 10 0 ADAERN CNC(=S)NCC1(C)CCC1 226776053 344513316 /nfs/dbraw/zinc/51/33/16/344513316.db2.gz PWRWPYWEBMIFNW-UHFFFAOYSA-N 0 0 172.297 1.271 10 0 ADAERN CC(C)(C)C(=O)C1([NH3+])CCOCC1 226813249 344514373 /nfs/dbraw/zinc/51/43/73/344514373.db2.gz QVNJLBZWRTYJLO-UHFFFAOYSA-N 0 0 185.267 1.110 10 0 ADAERN Nc1ccc(C(=O)C2CCC2)nc1 226817676 344514758 /nfs/dbraw/zinc/51/47/58/344514758.db2.gz QUPIJEFOZPWVDD-UHFFFAOYSA-N 0 0 176.219 1.647 10 0 ADAERN CCC(=O)CN1CCO[C@H]2CCC[C@H]21 226906804 344516899 /nfs/dbraw/zinc/51/68/99/344516899.db2.gz DVNBGIRSABOJGN-MNOVXSKESA-N 0 0 197.278 1.219 10 0 ADAERN CC(C)[C@H](NN)[C@@H]1CCC[C@@H]1C 226939662 344517478 /nfs/dbraw/zinc/51/74/78/344517478.db2.gz DHCSQISGKHBHGE-AEJSXWLSSA-N 0 0 170.300 1.911 10 0 ADAERN CCCc1noc([C@H]2[NH2+]CC[C@H]2C)n1 227004294 344518769 /nfs/dbraw/zinc/51/87/69/344518769.db2.gz WYYFDRVSIYDIKR-APPZFPTMSA-N 0 0 195.266 1.693 10 0 ADAERN CC[C@H]1C[C@H]1Nc1nccc(OC)n1 227012584 344519364 /nfs/dbraw/zinc/51/93/64/344519364.db2.gz RKKXGLDJQATSPS-JGVFFNPUSA-N 0 0 193.250 1.696 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1nccc(OC)n1 227012572 344519392 /nfs/dbraw/zinc/51/93/92/344519392.db2.gz RKKXGLDJQATSPS-YUMQZZPRSA-N 0 0 193.250 1.696 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1ncccn1 227013259 344519395 /nfs/dbraw/zinc/51/93/95/344519395.db2.gz OOAIRWZOGRLLKH-YUMQZZPRSA-N 0 0 163.224 1.687 10 0 ADAERN Cc1ncnc(NCC[C@@H](C)O)c1F 227010466 344519398 /nfs/dbraw/zinc/51/93/98/344519398.db2.gz HMJXTOWLJIYPIP-ZCFIWIBFSA-N 0 0 199.229 1.107 10 0 ADAERN CC[C@H](C)[C@@H](C)N1CCC[C@@H]([NH3+])C1=O 227049500 344520436 /nfs/dbraw/zinc/52/04/36/344520436.db2.gz PMQDWNHAWJJMPX-IVZWLZJFSA-N 0 0 198.310 1.371 10 0 ADAERN Nc1cnc(NCC(F)(F)F)s1 226723866 344510781 /nfs/dbraw/zinc/51/07/81/344510781.db2.gz VJNNNPVZXAAJFF-UHFFFAOYSA-N 0 0 197.185 1.700 10 0 ADAERN Nc1cnc(NCC2CC2)s1 226722949 344510782 /nfs/dbraw/zinc/51/07/82/344510782.db2.gz KTEVMYOQHFNLHZ-UHFFFAOYSA-N 0 0 169.253 1.547 10 0 ADAERN CCCCNc1ncc(N)s1 226723388 344510788 /nfs/dbraw/zinc/51/07/88/344510788.db2.gz CIRCSJOLJGDJLU-UHFFFAOYSA-N 0 0 171.269 1.937 10 0 ADAERN Nc1cnc(NCc2ccco2)s1 226722640 344510850 /nfs/dbraw/zinc/51/08/50/344510850.db2.gz SSLLTFUFQMFWLE-UHFFFAOYSA-N 0 0 195.247 1.930 10 0 ADAERN CC1(C)CCC[C@H]1C(=O)NC(N)=O 226744091 344511868 /nfs/dbraw/zinc/51/18/68/344511868.db2.gz XSAMJOFFANQDOS-LURJTMIESA-N 0 0 184.239 1.008 10 0 ADAERN CC1(C)CCC[C@@H]1C(=O)NC(N)=O 226744080 344511878 /nfs/dbraw/zinc/51/18/78/344511878.db2.gz XSAMJOFFANQDOS-ZCFIWIBFSA-N 0 0 184.239 1.008 10 0 ADAERN Nc1cnc(NCc2c[nH]cn2)s1 226746130 344511933 /nfs/dbraw/zinc/51/19/33/344511933.db2.gz CKMBWAMAILBNPQ-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2ncc(N)s2)C1 226753069 344512300 /nfs/dbraw/zinc/51/23/00/344512300.db2.gz FUBCVCWTCOZVDM-NKWVEPMBSA-N 0 0 197.307 1.960 10 0 ADAERN Nc1cnc(NCc2ccoc2)s1 226752944 344512304 /nfs/dbraw/zinc/51/23/04/344512304.db2.gz OIFZHKCNPKBOKU-UHFFFAOYSA-N 0 0 195.247 1.930 10 0 ADAERN CC1(Nc2ncc(N)s2)CC1 226752357 344512307 /nfs/dbraw/zinc/51/23/07/344512307.db2.gz ZZRBGHMBDJNQLA-UHFFFAOYSA-N 0 0 169.253 1.690 10 0 ADAERN CO[C@H](C[NH3+])c1nc2ccccc2[nH]1 227289264 344527561 /nfs/dbraw/zinc/52/75/61/344527561.db2.gz QHCNPOAZZRIMOJ-SECBINFHSA-N 0 0 191.234 1.209 10 0 ADAERN C[C@H]1CCN(c2n[nH]c(N)n2)[C@@H](C)C1 227322770 344528688 /nfs/dbraw/zinc/52/86/88/344528688.db2.gz GWKMEKINZZQNHA-BQBZGAKWSA-N 0 0 195.270 1.012 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]1(C[NH3+])CC(=O)[O-] 227350788 344529355 /nfs/dbraw/zinc/52/93/55/344529355.db2.gz ZNKLVFOWZIURTI-YWVKMMECSA-N 0 0 199.294 1.862 10 0 ADAERN CC1(C)[C@H](O)[C@@H]2CCC[C@H]21 227346471 344529373 /nfs/dbraw/zinc/52/93/73/344529373.db2.gz HMZSJFGIRVMPSB-BWZBUEFSSA-N 0 0 140.226 1.803 10 0 ADAERN Cc1cncc(NC(=O)NC2CC2)c1 227104707 344523197 /nfs/dbraw/zinc/52/31/97/344523197.db2.gz ATAGWNYLMVHZMT-UHFFFAOYSA-N 0 0 191.234 1.674 10 0 ADAERN Cc1nn(C)cc1-c1nc(Cl)no1 227433248 344530511 /nfs/dbraw/zinc/53/05/11/344530511.db2.gz ITGDDYGRXIBSBB-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN CCc1nc(-c2cn(C)nc2C)n[nH]1 227426189 344530552 /nfs/dbraw/zinc/53/05/52/344530552.db2.gz FITFJOMWJADCLE-UHFFFAOYSA-N 0 0 191.238 1.076 10 0 ADAERN Cc1nn(C)cc1NC[C@@H]1CCCO1 227470338 344531016 /nfs/dbraw/zinc/53/10/16/344531016.db2.gz KTOMCFNMKOQLJT-VIFPVBQESA-N 0 0 195.266 1.319 10 0 ADAERN C[C@H](O)[C@H](C)[C@@H]1CCCCC1=O 227480332 344531592 /nfs/dbraw/zinc/53/15/92/344531592.db2.gz HFCANZWNMFEENF-CIUDSAMLSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1nn(C)cc1N[C@H]1CCC[C@@H]1O 227483279 344531697 /nfs/dbraw/zinc/53/16/97/344531697.db2.gz KYWGRVYJIGYGHQ-WPRPVWTQSA-N 0 0 195.266 1.054 10 0 ADAERN Cc1nn(C)cc1Nc1cnccn1 227498787 344532818 /nfs/dbraw/zinc/53/28/18/344532818.db2.gz VRXHJWLELQRJID-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN C1=CO[C@H](CNc2cnns2)CC1 227514172 344533138 /nfs/dbraw/zinc/53/31/38/344533138.db2.gz WGTWSBLRZHCZMD-ZETCQYMHSA-N 0 0 197.263 1.643 10 0 ADAERN Nc1ccccc1NC(=O)C(F)F 227560968 344534962 /nfs/dbraw/zinc/53/49/62/344534962.db2.gz UDNITSJSTQFOBJ-UHFFFAOYSA-N 0 0 186.161 1.472 10 0 ADAERN Cc1cccc(N)c1C(N)=S 227561771 344534968 /nfs/dbraw/zinc/53/49/68/344534968.db2.gz UUWYBXFNYHZZRR-UHFFFAOYSA-N 0 0 166.249 1.211 10 0 ADAERN Nc1nnc(NC2CCCCC2)o1 227562441 344534975 /nfs/dbraw/zinc/53/49/75/344534975.db2.gz RTDZUDFMKCSYFN-UHFFFAOYSA-N 0 0 182.227 1.396 10 0 ADAERN Cc1ccccc1Nc1nnc(N)o1 227560400 344534978 /nfs/dbraw/zinc/53/49/78/344534978.db2.gz QLKUDPCRTMIBMP-UHFFFAOYSA-N 0 0 190.206 1.704 10 0 ADAERN COCC(=O)c1ncc(C)cc1C 227560735 344534983 /nfs/dbraw/zinc/53/49/83/344534983.db2.gz UCDJQZDKGLUCQE-UHFFFAOYSA-N 0 0 179.219 1.528 10 0 ADAERN Cc1cnc(-c2noc(N)n2)c(C)c1 227559979 344535005 /nfs/dbraw/zinc/53/50/05/344535005.db2.gz KINNXIHCBXZXFT-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN O[C@@H]1C[C@@H]2c3ccccc3OC[C@@H]21 227345966 344529374 /nfs/dbraw/zinc/52/93/74/344529374.db2.gz ZSWXASWXFOPSOB-KXUCPTDWSA-N 0 0 176.215 1.543 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]1(C[NH3+])CC(=O)[O-] 227350800 344529378 /nfs/dbraw/zinc/52/93/78/344529378.db2.gz ZNKLVFOWZIURTI-WCABBAIRSA-N 0 0 199.294 1.862 10 0 ADAERN CC1(C)[C@H](O)[C@H]2CCC[C@H]21 227346478 344529392 /nfs/dbraw/zinc/52/93/92/344529392.db2.gz HMZSJFGIRVMPSB-XLPZGREQSA-N 0 0 140.226 1.803 10 0 ADAERN Cc1nn(C)cc1C(=O)OC(C)(C)C 227427159 344530464 /nfs/dbraw/zinc/53/04/64/344530464.db2.gz YXHMWSKFZPOOBJ-UHFFFAOYSA-N 0 0 196.250 1.684 10 0 ADAERN C[C@@H]1COCCN1c1ccnc(F)c1 227640669 344541359 /nfs/dbraw/zinc/54/13/59/344541359.db2.gz AACZWWPAMLRMJP-MRVPVSSYSA-N 0 0 196.225 1.446 10 0 ADAERN OC[C@@H]1CCN(c2ccnc(F)c2)C1 227646509 344541770 /nfs/dbraw/zinc/54/17/70/344541770.db2.gz CYUIIPAPBHCWIW-MRVPVSSYSA-N 0 0 196.225 1.039 10 0 ADAERN Fc1cc(N[C@@H]2CCOC2)ccn1 227645929 344541771 /nfs/dbraw/zinc/54/17/71/344541771.db2.gz ODDUSCYHHFDAHK-MRVPVSSYSA-N 0 0 182.198 1.422 10 0 ADAERN C[C@@H](CCO)Nc1ccnc(F)c1 227646467 344541932 /nfs/dbraw/zinc/54/19/32/344541932.db2.gz SFIACNMNOVKZDF-ZETCQYMHSA-N 0 0 184.214 1.404 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ncc(F)cn1 227757980 344546419 /nfs/dbraw/zinc/54/64/19/344546419.db2.gz QYQZZRLAUWMAAO-POYBYMJQSA-N 0 0 181.214 1.826 10 0 ADAERN COC(=O)[C@H](N[C@@H](C)C(C)C)C1CC1 227765621 344546446 /nfs/dbraw/zinc/54/64/46/344546446.db2.gz BCBVUDARFRAYDX-WCBMZHEXSA-N 0 0 199.294 1.572 10 0 ADAERN COc1ccc(N)c(NC(C)(C)C)n1 227773489 344547050 /nfs/dbraw/zinc/54/70/50/344547050.db2.gz CZIKTAIVGTYVMU-UHFFFAOYSA-N 0 0 195.266 1.883 10 0 ADAERN COc1ccc(N)c(N[C@H]2C[C@@H]2C)n1 227775338 344547137 /nfs/dbraw/zinc/54/71/37/344547137.db2.gz NJQCUZYZYKIBSM-XPUUQOCRSA-N 0 0 193.250 1.493 10 0 ADAERN COC(=O)[C@H](NC1CC=CC1)C1CC1 227771330 344547228 /nfs/dbraw/zinc/54/72/28/344547228.db2.gz JFBKMTHUYCXXIX-SNVBAGLBSA-N 0 0 195.262 1.246 10 0 ADAERN CC[C@@H](C)Nc1nc(OC)ccc1N 227773131 344547280 /nfs/dbraw/zinc/54/72/80/344547280.db2.gz NVUGTHAZNULXEW-SSDOTTSWSA-N 0 0 195.266 1.883 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@](C)(C(=O)[O-])C1 227823224 344548560 /nfs/dbraw/zinc/54/85/60/344548560.db2.gz QBEWUIYMUVRDJZ-ONGXEEELSA-N 0 0 199.294 1.828 10 0 ADAERN CCn1c(CO)nnc1C1CCCC1 227936945 344551058 /nfs/dbraw/zinc/55/10/58/344551058.db2.gz QAMXBCFHOUIIND-UHFFFAOYSA-N 0 0 195.266 1.448 10 0 ADAERN CCOc1cccc(=O)[nH]1 227935633 344551077 /nfs/dbraw/zinc/55/10/77/344551077.db2.gz UYNJBBUNDGJAJR-UHFFFAOYSA-N 0 0 139.154 1.186 10 0 ADAERN OCc1nnc(C(F)F)n1C1CC1 227934363 344551092 /nfs/dbraw/zinc/55/10/92/344551092.db2.gz BZMBJOIGBLRHHU-UHFFFAOYSA-N 0 0 189.165 1.043 10 0 ADAERN CC(C)(C)c1nnc(CO)n1C1CC1 227934461 344551112 /nfs/dbraw/zinc/55/11/12/344551112.db2.gz GBAFWDJUKMZNOT-UHFFFAOYSA-N 0 0 195.266 1.403 10 0 ADAERN Cc1cncc([C@@H](O)C2CC2)c1 227943867 344551706 /nfs/dbraw/zinc/55/17/06/344551706.db2.gz VZGWFJFYYVMTHT-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN CNc1cc(SC2COC2)ccn1 227674860 344543854 /nfs/dbraw/zinc/54/38/54/344543854.db2.gz SPIVFKNGGVMKHM-UHFFFAOYSA-N 0 0 196.275 1.614 10 0 ADAERN CCSc1ccnc(N)c1 227673264 344543857 /nfs/dbraw/zinc/54/38/57/344543857.db2.gz FBJHASZVUIHTJS-UHFFFAOYSA-N 0 0 154.238 1.776 10 0 ADAERN Fc1ccc2nc3c(n2c1)COCC3 228020720 344555500 /nfs/dbraw/zinc/55/55/00/344555500.db2.gz PCLHAZZJJJLINH-UHFFFAOYSA-N 0 0 192.193 1.546 10 0 ADAERN C[C@H]1CC[C@H](C2N=NC(=S)N2C)O1 228196271 344558951 /nfs/dbraw/zinc/55/89/51/344558951.db2.gz QBCOMRKHJZSENV-NTSWFWBYSA-N 0 0 199.279 1.344 10 0 ADAERN CC(C)n1cnnc1[C@@H]1C[C@H]1C 228226951 344559243 /nfs/dbraw/zinc/55/92/43/344559243.db2.gz MDCKNCKKXKCBOT-HTQZYQBOSA-N 0 0 165.240 1.982 10 0 ADAERN CC(C)n1cnnc1[C@H]1CCO[C@H]1C 228227424 344559245 /nfs/dbraw/zinc/55/92/45/344559245.db2.gz QDTUCRJWQCZPOL-IUCAKERBSA-N 0 0 195.266 1.751 10 0 ADAERN CC(C)n1cnnc1[C@@H]1CCCO1 228227228 344559246 /nfs/dbraw/zinc/55/92/46/344559246.db2.gz PJUUXENGCVREPI-QMMMGPOBSA-N 0 0 181.239 1.711 10 0 ADAERN CC(C)n1cnnc1[C@@H]1C[C@@H]1C 228226937 344559249 /nfs/dbraw/zinc/55/92/49/344559249.db2.gz MDCKNCKKXKCBOT-JGVFFNPUSA-N 0 0 165.240 1.982 10 0 ADAERN CC(C)n1cnnc1[C@@H]1CCO[C@@H]1C 228227398 344559255 /nfs/dbraw/zinc/55/92/55/344559255.db2.gz QDTUCRJWQCZPOL-RKDXNWHRSA-N 0 0 195.266 1.751 10 0 ADAERN CC(C)(O)C1N=NC(=S)N1C1CC1 228207725 344559256 /nfs/dbraw/zinc/55/92/56/344559256.db2.gz YXDWYSCWRIPOLZ-UHFFFAOYSA-N 0 0 199.279 1.129 10 0 ADAERN CC(C)n1cnnc1[C@H]1C[C@@H]1C 228226946 344559262 /nfs/dbraw/zinc/55/92/62/344559262.db2.gz MDCKNCKKXKCBOT-YUMQZZPRSA-N 0 0 165.240 1.982 10 0 ADAERN COc1nncn1-c1ccccc1 228225073 344559364 /nfs/dbraw/zinc/55/93/64/344559364.db2.gz XOTYHJSGDYCEHD-UHFFFAOYSA-N 0 0 175.191 1.276 10 0 ADAERN CCCn1cnnc1-c1cnccn1 228235713 344560143 /nfs/dbraw/zinc/56/01/43/344560143.db2.gz FQDLNXNFIRPJPP-UHFFFAOYSA-N 0 0 189.222 1.145 10 0 ADAERN CCCn1cnnc1-c1cc[nH]n1 228235196 344560245 /nfs/dbraw/zinc/56/02/45/344560245.db2.gz XZOSHZGNRNJBKN-UHFFFAOYSA-N 0 0 177.211 1.078 10 0 ADAERN Cn1cnnc1Cc1ccc(F)cc1 228236926 344560345 /nfs/dbraw/zinc/56/03/45/344560345.db2.gz HWCCGBKGINKAOT-UHFFFAOYSA-N 0 0 191.209 1.545 10 0 ADAERN Cc1ccc(F)c(-c2nncn2C)c1 228238925 344560583 /nfs/dbraw/zinc/56/05/83/344560583.db2.gz JBTQVOJCGPIOCF-UHFFFAOYSA-N 0 0 191.209 1.930 10 0 ADAERN Cc1cccc(-c2nncn2C)n1 228238659 344560584 /nfs/dbraw/zinc/56/05/84/344560584.db2.gz CYSXVCNKWLSNFM-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN Cn1cnnc1C1C(C)(C)C1(C)C 228237521 344560611 /nfs/dbraw/zinc/56/06/11/344560611.db2.gz MHWLXBYVWQDLDW-UHFFFAOYSA-N 0 0 179.267 1.965 10 0 ADAERN CN(C)N[C@@H]1C[C@H]2CC=C[C@H]21 228288486 344561200 /nfs/dbraw/zinc/56/12/00/344561200.db2.gz DSMDXYNKEDTWGE-IWSPIJDZSA-N 0 0 152.241 1.017 10 0 ADAERN CC(C)=C[C@H](O)[C@H]1CC[C@H](C)O1 228433938 344561813 /nfs/dbraw/zinc/56/18/13/344561813.db2.gz CBAZGMKYHZGTPJ-LPEHRKFASA-N 0 0 170.252 1.881 10 0 ADAERN O=[S@@](C[C@H]1CO1)C1CCCC1 228457756 344562460 /nfs/dbraw/zinc/56/24/60/344562460.db2.gz KTWARNZZWADSBO-HQJQHLMTSA-N 0 0 174.265 1.077 10 0 ADAERN O=[S@](C[C@@H]1CO1)C1CCCC1 228457750 344562462 /nfs/dbraw/zinc/56/24/62/344562462.db2.gz KTWARNZZWADSBO-WRWORJQWSA-N 0 0 174.265 1.077 10 0 ADAERN C[C@H](NC1CC1)C(F)F 228476916 344562464 /nfs/dbraw/zinc/56/24/64/344562464.db2.gz DFIZPWJRQQYPLH-BYPYZUCNSA-N 0 0 135.157 1.392 10 0 ADAERN O=[S@](C[C@H]1CO1)C1CCCC1 228457761 344562488 /nfs/dbraw/zinc/56/24/88/344562488.db2.gz KTWARNZZWADSBO-RDDDGLTNSA-N 0 0 174.265 1.077 10 0 ADAERN C[C@@H](NC1CC1)C(F)F 228476908 344562499 /nfs/dbraw/zinc/56/24/99/344562499.db2.gz DFIZPWJRQQYPLH-SCSAIBSYSA-N 0 0 135.157 1.392 10 0 ADAERN CCn1cc(N[C@H](C)C(F)F)cn1 228488314 344562508 /nfs/dbraw/zinc/56/25/08/344562508.db2.gz GQVVQZBTPYXMFG-ZCFIWIBFSA-N 0 0 189.209 1.969 10 0 ADAERN C[C@H](Nc1cnn(C)c1)C(F)F 228488235 344562599 /nfs/dbraw/zinc/56/25/99/344562599.db2.gz ZJAQREGHIZWBBK-YFKPBYRVSA-N 0 0 175.182 1.486 10 0 ADAERN C[C@H](Nc1ccn(C)n1)C(F)F 228504383 344563063 /nfs/dbraw/zinc/56/30/63/344563063.db2.gz IUYCTTIBFJJEFD-YFKPBYRVSA-N 0 0 175.182 1.486 10 0 ADAERN CC1(C)C[C@H]1C(=O)Nc1cn[nH]c1 228661444 344565954 /nfs/dbraw/zinc/56/59/54/344565954.db2.gz ZNQYONOJIAGSAF-ZETCQYMHSA-N 0 0 179.223 1.394 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1cncc(N)c1 228678972 344565960 /nfs/dbraw/zinc/56/59/60/344565960.db2.gz DAWMDSHGDDUEFV-JGVFFNPUSA-N 0 0 195.266 1.093 10 0 ADAERN COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(C)C)C1 228670176 344565974 /nfs/dbraw/zinc/56/59/74/344565974.db2.gz XXUKBVSXHRUJKG-NXEZZACHSA-N 0 0 199.294 1.526 10 0 ADAERN C[C@H](Nc1ccc(N)cn1)[C@@H](C)CO 228696019 344566537 /nfs/dbraw/zinc/56/65/37/344566537.db2.gz WAMVJNJEDPACHF-YUMQZZPRSA-N 0 0 195.266 1.093 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1ccc(N)cn1 228696009 344566822 /nfs/dbraw/zinc/56/68/22/344566822.db2.gz WAMVJNJEDPACHF-HTQZYQBOSA-N 0 0 195.266 1.093 10 0 ADAERN CC[C@@H](NCC1(C)CCC1)C(=O)OC 228728040 344567153 /nfs/dbraw/zinc/56/71/53/344567153.db2.gz ATGNYJRVYHCJNM-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1cc(F)ncn1 228744107 344567170 /nfs/dbraw/zinc/56/71/70/344567170.db2.gz WYKSXBQTAQVVNM-RNFRBKRXSA-N 0 0 199.229 1.045 10 0 ADAERN c1ccn2c3c(nc2c1)CCOC3 228002408 344554402 /nfs/dbraw/zinc/55/44/02/344554402.db2.gz RZYQSQLVHCILKC-UHFFFAOYSA-N 0 0 174.203 1.407 10 0 ADAERN CC1(C)C[C@H]1C(=O)Nc1ncc[nH]1 228774849 344567919 /nfs/dbraw/zinc/56/79/19/344567919.db2.gz WYLGGPNFVCZGBW-LURJTMIESA-N 0 0 179.223 1.394 10 0 ADAERN CC1(Nc2ncc(N)cn2)CCC1 228830326 344569517 /nfs/dbraw/zinc/56/95/17/344569517.db2.gz ZCWHVPUZJLVNAC-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN CC1(N2C(=S)N=NC2C2CC2)CC1 228892636 344573867 /nfs/dbraw/zinc/57/38/67/344573867.db2.gz INOWZDLJWHBROY-UHFFFAOYSA-N 0 0 195.291 1.953 10 0 ADAERN NNCc1cc2cc(F)ccc2o1 228901116 344574483 /nfs/dbraw/zinc/57/44/83/344574483.db2.gz XIIMXXZKXDNGMV-UHFFFAOYSA-N 0 0 180.182 1.535 10 0 ADAERN NNCc1cccc2cnccc12 228900094 344574513 /nfs/dbraw/zinc/57/45/13/344574513.db2.gz TYBUZPOECDSKPT-UHFFFAOYSA-N 0 0 173.219 1.198 10 0 ADAERN CC[C@@H]1CCCC[C@H]1CNN 228899461 344574598 /nfs/dbraw/zinc/57/45/98/344574598.db2.gz YTXQMCQIBVZLNN-BDAKNGLRSA-N 0 0 156.273 1.666 10 0 ADAERN CC(C)[C@H](NN)c1ccccc1N 228980017 344578501 /nfs/dbraw/zinc/57/85/01/344578501.db2.gz HEVYRVZLUZUGTD-JTQLQIEISA-N 0 0 179.267 1.429 10 0 ADAERN Cc1ccc(C)n1[C@H]1CNC(=O)C1 229042685 344580323 /nfs/dbraw/zinc/58/03/23/344580323.db2.gz MHHWXTXAIGKCSO-SECBINFHSA-N 0 0 178.235 1.166 10 0 ADAERN CSC(C)(C)CNC#N 229104681 344582012 /nfs/dbraw/zinc/58/20/12/344582012.db2.gz HLMUARPEZVIDAF-UHFFFAOYSA-N 0 0 144.243 1.199 10 0 ADAERN C[C@@H]1CCN(c2cnnc(Cl)c2)C1 229117588 344582622 /nfs/dbraw/zinc/58/26/22/344582622.db2.gz ZJBIUUMWGGEHOZ-SSDOTTSWSA-N 0 0 197.669 1.976 10 0 ADAERN CC[C@@](C)(O)Cn1cc(C)cn1 229398678 344593824 /nfs/dbraw/zinc/59/38/24/344593824.db2.gz AHEGRBRWYNMCMD-SECBINFHSA-N 0 0 168.240 1.353 10 0 ADAERN CC[C@](C)(O)CSC 229405824 344593825 /nfs/dbraw/zinc/59/38/25/344593825.db2.gz FEJBUFUMLJJZGO-LURJTMIESA-N 0 0 134.244 1.510 10 0 ADAERN Clc1cc(N[C@@H]2CCOC2)cnn1 229118560 344582683 /nfs/dbraw/zinc/58/26/83/344582683.db2.gz XXSOCLIFIJZOFG-ZCFIWIBFSA-N 0 0 199.641 1.331 10 0 ADAERN CNc1ccc(-c2cscn2)nn1 229154305 344583973 /nfs/dbraw/zinc/58/39/73/344583973.db2.gz VLIYSGFRCINDPC-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN NN=c1[nH]c(-c2cncs2)cs1 229154172 344584049 /nfs/dbraw/zinc/58/40/49/344584049.db2.gz HVURHWLPHWUPSI-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN CC[C@](C)(O)Cn1cc(C)cn1 229398692 344593850 /nfs/dbraw/zinc/59/38/50/344593850.db2.gz AHEGRBRWYNMCMD-VIFPVBQESA-N 0 0 168.240 1.353 10 0 ADAERN C[C@@H](NN)C1Cc2ccccc2C1 229249306 344587835 /nfs/dbraw/zinc/58/78/35/344587835.db2.gz ZWWBRBXFIBNYJB-MRVPVSSYSA-N 0 0 176.263 1.253 10 0 ADAERN NNC[C@H]1CCC2(CCCCC2)O1 229262765 344588402 /nfs/dbraw/zinc/58/84/02/344588402.db2.gz JUCXXBRYPBCJAY-SECBINFHSA-N 0 0 184.283 1.332 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(N)=S)C1 229382612 344593080 /nfs/dbraw/zinc/59/30/80/344593080.db2.gz GPQSBIFUKSGCHK-BWZBUEFSSA-N 0 0 186.324 1.596 10 0 ADAERN C[C@H]1C[C@@H](C)CN(C(N)=S)[C@@H]1C 229382634 344593081 /nfs/dbraw/zinc/59/30/81/344593081.db2.gz GPQSBIFUKSGCHK-GJMOJQLCSA-N 0 0 186.324 1.596 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(N)=O)C1 229383262 344593099 /nfs/dbraw/zinc/59/30/99/344593099.db2.gz QCGFOZOXTIADDR-BWZBUEFSSA-N 0 0 170.256 1.432 10 0 ADAERN CO[C@@H](C)[C@H](C)n1nc(C)cc1N 229386256 344593102 /nfs/dbraw/zinc/59/31/02/344593102.db2.gz NXJPUOXXNHRNLI-YUMQZZPRSA-N 0 0 183.255 1.370 10 0 ADAERN CO[C@@H](C)[C@@H](C)Nc1cn[nH]c1 229374778 344593108 /nfs/dbraw/zinc/59/31/08/344593108.db2.gz LWUCKLJCMBJEOJ-RQJHMYQMSA-N 0 0 169.228 1.245 10 0 ADAERN CO[C@@H](C)[C@@H](C)n1nc(C)cc1N 229386237 344593124 /nfs/dbraw/zinc/59/31/24/344593124.db2.gz NXJPUOXXNHRNLI-SFYZADRCSA-N 0 0 183.255 1.370 10 0 ADAERN CC(C)=CCNc1nccc(N)n1 229377111 344593134 /nfs/dbraw/zinc/59/31/34/344593134.db2.gz SYTYBKJTYPSION-UHFFFAOYSA-N 0 0 178.239 1.437 10 0 ADAERN CO[C@H](C)[C@H](C)Nc1cn[nH]c1 229374814 344593136 /nfs/dbraw/zinc/59/31/36/344593136.db2.gz LWUCKLJCMBJEOJ-NKWVEPMBSA-N 0 0 169.228 1.245 10 0 ADAERN CC[C@H]1CC[N@H+](C)[C@@H](C(=O)[O-])C1 229385481 344593138 /nfs/dbraw/zinc/59/31/38/344593138.db2.gz XHZMYHJYZWIQNX-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@@H]1CC[N@H+](C)[C@@H](C(=O)[O-])C1 229385472 344593143 /nfs/dbraw/zinc/59/31/43/344593143.db2.gz XHZMYHJYZWIQNX-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)=CCNc1ccc(N)nn1 229377050 344593149 /nfs/dbraw/zinc/59/31/49/344593149.db2.gz FXBSJSSAHUEQEH-UHFFFAOYSA-N 0 0 178.239 1.437 10 0 ADAERN CO[C@@H](C)[C@H](C)Nc1cn[nH]c1 229374800 344593150 /nfs/dbraw/zinc/59/31/50/344593150.db2.gz LWUCKLJCMBJEOJ-BQBZGAKWSA-N 0 0 169.228 1.245 10 0 ADAERN Cc1cc(O)c(C)c(C=O)c1O 229394241 344593760 /nfs/dbraw/zinc/59/37/60/344593760.db2.gz IUSIVBCWPRKKJM-UHFFFAOYSA-N 0 0 166.176 1.527 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@@H](O)C1CCCC1 229091616 344582034 /nfs/dbraw/zinc/58/20/34/344582034.db2.gz GTYKLWSROJTABJ-LSJOCFKGSA-N 0 0 184.279 1.963 10 0 ADAERN N#CNCCC1CCC1 229099571 344582090 /nfs/dbraw/zinc/58/20/90/344582090.db2.gz PEALMMSGZKPUQY-UHFFFAOYSA-N 0 0 124.187 1.247 10 0 ADAERN CC/C(=C/c1ccnn1C)CO 229089939 344582102 /nfs/dbraw/zinc/58/21/02/344582102.db2.gz BZXCFGYRHBCEJW-VURMDHGXSA-N 0 0 166.224 1.206 10 0 ADAERN NC(=S)NCCC1CCC1 229093965 344582105 /nfs/dbraw/zinc/58/21/05/344582105.db2.gz DVKRLXKTDLOZSF-UHFFFAOYSA-N 0 0 158.270 1.010 10 0 ADAERN C[C@H]1CCN(c2cnnc(Cl)c2)C1 229117599 344582556 /nfs/dbraw/zinc/58/25/56/344582556.db2.gz ZJBIUUMWGGEHOZ-ZETCQYMHSA-N 0 0 197.669 1.976 10 0 ADAERN Clc1cc(N[C@H]2CCOC2)cnn1 229118576 344582566 /nfs/dbraw/zinc/58/25/66/344582566.db2.gz XXSOCLIFIJZOFG-LURJTMIESA-N 0 0 199.641 1.331 10 0 ADAERN C[C@]1(Nc2ccccn2)CCOC1 229477946 344597425 /nfs/dbraw/zinc/59/74/25/344597425.db2.gz UUNQFVQYNULQOY-JTQLQIEISA-N 0 0 178.235 1.673 10 0 ADAERN C[C@]1(Nc2ncns2)CCOC1 229478838 344597428 /nfs/dbraw/zinc/59/74/28/344597428.db2.gz YZHYGTYIHWKJHU-ZETCQYMHSA-N 0 0 185.252 1.129 10 0 ADAERN C[C@@]1(n2cc[nH]c2=S)CCOC1 229479600 344597429 /nfs/dbraw/zinc/59/74/29/344597429.db2.gz HDYCIWHVUQYBKE-MRVPVSSYSA-N 0 0 184.264 1.307 10 0 ADAERN CC(C)(C)[C@H](O)[C@H]1CCCCO1 229476480 344597430 /nfs/dbraw/zinc/59/74/30/344597430.db2.gz GLFITTMFUHPZTF-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](O)C(=O)c1ccco1 229479100 344597431 /nfs/dbraw/zinc/59/74/31/344597431.db2.gz FDFVNRIENMTGLU-LURJTMIESA-N 0 0 154.165 1.233 10 0 ADAERN CC[C@@H](O)C(=O)c1ccco1 229479088 344597434 /nfs/dbraw/zinc/59/74/34/344597434.db2.gz FDFVNRIENMTGLU-ZCFIWIBFSA-N 0 0 154.165 1.233 10 0 ADAERN C[C@@]1(Nc2ncns2)CCOC1 229478846 344597435 /nfs/dbraw/zinc/59/74/35/344597435.db2.gz YZHYGTYIHWKJHU-SSDOTTSWSA-N 0 0 185.252 1.129 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H](O)C(C)(C)C 229477848 344597437 /nfs/dbraw/zinc/59/74/37/344597437.db2.gz XLATZKBXYMGGML-IWSPIJDZSA-N 0 0 172.268 1.818 10 0 ADAERN Cc1cccc(N[C@]2(C)CCOC2)n1 229478020 344597440 /nfs/dbraw/zinc/59/74/40/344597440.db2.gz AWGQCRBUPZEITE-LLVKDONJSA-N 0 0 192.262 1.981 10 0 ADAERN C[C@]1(Nc2nncs2)CCOC1 229477355 344597443 /nfs/dbraw/zinc/59/74/43/344597443.db2.gz JEJTXSJZRXTXBC-ZETCQYMHSA-N 0 0 185.252 1.129 10 0 ADAERN CCC1(NC(N)=S)CCC1 229483392 344597450 /nfs/dbraw/zinc/59/74/50/344597450.db2.gz WDFMKFSJWIHDDI-UHFFFAOYSA-N 0 0 158.270 1.152 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H](O)C(C)(C)C 229477829 344597458 /nfs/dbraw/zinc/59/74/58/344597458.db2.gz XLATZKBXYMGGML-HRDYMLBCSA-N 0 0 172.268 1.818 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H]1CCCCO1 229476455 344597465 /nfs/dbraw/zinc/59/74/65/344597465.db2.gz GLFITTMFUHPZTF-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@]1(Nc2ccccn2)CCOC1 229477957 344597470 /nfs/dbraw/zinc/59/74/70/344597470.db2.gz UUNQFVQYNULQOY-SNVBAGLBSA-N 0 0 178.235 1.673 10 0 ADAERN CC1N=NC(=S)N1[C@]1(C)CCOC1 229479797 344597480 /nfs/dbraw/zinc/59/74/80/344597480.db2.gz AKVHQZDHSBOPQB-MRVPVSSYSA-N 0 0 199.279 1.011 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H]1CCCCO1 229476474 344597489 /nfs/dbraw/zinc/59/74/89/344597489.db2.gz GLFITTMFUHPZTF-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1nnc(N[C@]2(C)CCOC2)s1 229476312 344597491 /nfs/dbraw/zinc/59/74/91/344597491.db2.gz RMLMEYYWDKCHPK-MRVPVSSYSA-N 0 0 199.279 1.437 10 0 ADAERN Cc1nnc(N[C@@]2(C)CCOC2)s1 229476302 344597492 /nfs/dbraw/zinc/59/74/92/344597492.db2.gz RMLMEYYWDKCHPK-QMMMGPOBSA-N 0 0 199.279 1.437 10 0 ADAERN CCC(=O)C[C@@H]1CCCOC1 229497765 344598188 /nfs/dbraw/zinc/59/81/88/344598188.db2.gz QGJHAXLLTAFZRH-QMMMGPOBSA-N 0 0 156.225 1.782 10 0 ADAERN CCC(=O)c1cnn2ccccc12 229497824 344598350 /nfs/dbraw/zinc/59/83/50/344598350.db2.gz DMRVYTUXNSCYKJ-UHFFFAOYSA-N 0 0 174.203 1.927 10 0 ADAERN Cc1cc(N)n(Cc2occc2C)n1 229520033 344600085 /nfs/dbraw/zinc/60/00/85/344600085.db2.gz BVYOWKHJKMFKJY-UHFFFAOYSA-N 0 0 191.234 1.723 10 0 ADAERN CSCC(=O)c1cncs1 229522636 344600112 /nfs/dbraw/zinc/60/01/12/344600112.db2.gz ODBOGTIWVCZCIM-UHFFFAOYSA-N 0 0 173.262 1.689 10 0 ADAERN CC(C)(C)[C@@H](NN)c1ccc(F)cn1 229533119 344600667 /nfs/dbraw/zinc/60/06/67/344600667.db2.gz SNACOSWGMGRSLY-VIFPVBQESA-N 0 0 197.257 1.771 10 0 ADAERN COC(=O)Nc1cc(N)cc(F)c1 229540697 344601492 /nfs/dbraw/zinc/60/14/92/344601492.db2.gz MNAZBMDZNSHEGY-UHFFFAOYSA-N 0 0 184.170 1.586 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@@H](C)N(N)C1 229547661 344602078 /nfs/dbraw/zinc/60/20/78/344602078.db2.gz FOBAADZNQGDFJY-BWZBUEFSSA-N 0 0 142.246 1.227 10 0 ADAERN Cc1ccoc1[C@@H]1CC(=O)N1 229550366 344602083 /nfs/dbraw/zinc/60/20/83/344602083.db2.gz QIHXTMHADIHCHB-LURJTMIESA-N 0 0 151.165 1.149 10 0 ADAERN CO[C@H](C)[C@@](C)(O)c1ccncc1F 229410864 344594401 /nfs/dbraw/zinc/59/44/01/344594401.db2.gz ZLMXLDOUHINWDA-GMSGAONNSA-N 0 0 199.225 1.463 10 0 ADAERN CO[C@@H](C)[C@](C)(O)C=C(C)C 229415883 344594458 /nfs/dbraw/zinc/59/44/58/344594458.db2.gz ZLGYCONZKSRTQI-DTWKUNHWSA-N 0 0 158.241 1.739 10 0 ADAERN Nc1cc(F)cc(N2CCCC2=O)c1 229559995 344603929 /nfs/dbraw/zinc/60/39/29/344603929.db2.gz DAQIXXCPVODXOQ-UHFFFAOYSA-N 0 0 194.209 1.535 10 0 ADAERN CC(C)(C)[C@H](NN)[C@@]1(C)CCCO1 229583016 344606324 /nfs/dbraw/zinc/60/63/24/344606324.db2.gz BAVKVPGKEOQSTE-WCBMZHEXSA-N 0 0 186.299 1.434 10 0 ADAERN Cc1cc(-c2nccnc2N)ccn1 229600503 344606929 /nfs/dbraw/zinc/60/69/29/344606929.db2.gz BGQSXCDNFKTCPD-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CON[C@@H]1CCc2cc(O)ccc21 229611749 344606982 /nfs/dbraw/zinc/60/69/82/344606982.db2.gz OCLVDQSFPSIVJW-SNVBAGLBSA-N 0 0 179.219 1.531 10 0 ADAERN Cn1nncc1CNc1ccsc1 229603688 344606991 /nfs/dbraw/zinc/60/69/91/344606991.db2.gz WFCFCIUXKIAHAW-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Cc1cscc1[C@@H](C)NN 229599743 344607070 /nfs/dbraw/zinc/60/70/70/344607070.db2.gz IOSRLFWLFMDSCB-ZCFIWIBFSA-N 0 0 156.254 1.581 10 0 ADAERN C[C@H]1C[C@@H](C)CN(N)[C@@H]1C 229547677 344602094 /nfs/dbraw/zinc/60/20/94/344602094.db2.gz FOBAADZNQGDFJY-GJMOJQLCSA-N 0 0 142.246 1.227 10 0 ADAERN Cc1ccoc1[C@H]1CC(=O)N1 229550375 344602100 /nfs/dbraw/zinc/60/21/00/344602100.db2.gz QIHXTMHADIHCHB-ZCFIWIBFSA-N 0 0 151.165 1.149 10 0 ADAERN CCC(=O)[C@@H](C)N1CCC(=O)[C@@H](C)C1 229542748 344602116 /nfs/dbraw/zinc/60/21/16/344602116.db2.gz GRAYRGYQWNFKCU-DTWKUNHWSA-N 0 0 197.278 1.265 10 0 ADAERN NN[C@@H](C1CC1)[C@H]1CCCS1 229662728 344609568 /nfs/dbraw/zinc/60/95/68/344609568.db2.gz KOILUNNUICITAU-SFYZADRCSA-N 0 0 172.297 1.124 10 0 ADAERN CC[C@@H]1CCc2cc(=O)[nH]nc21 229662978 344609575 /nfs/dbraw/zinc/60/95/75/344609575.db2.gz QWNBLOXQSDNIKW-ZCFIWIBFSA-N 0 0 164.208 1.210 10 0 ADAERN CC[C@H]1CCc2sc(=NN)[nH]c21 229665315 344609593 /nfs/dbraw/zinc/60/95/93/344609593.db2.gz PVMHSDWDCMPFNJ-YFKPBYRVSA-N 0 0 183.280 1.869 10 0 ADAERN Clc1c[nH]nc1[C@@H]1CCOC1 229665028 344609596 /nfs/dbraw/zinc/60/95/96/344609596.db2.gz POGIPYUEVMUQQS-RXMQYKEDSA-N 0 0 172.615 1.567 10 0 ADAERN NN[C@H](C1CC1)[C@@H]1CCCS1 229662721 344609601 /nfs/dbraw/zinc/60/96/01/344609601.db2.gz KOILUNNUICITAU-JGVFFNPUSA-N 0 0 172.297 1.124 10 0 ADAERN Clc1c[nH]nc1[C@H]1CCOC1 229665036 344609607 /nfs/dbraw/zinc/60/96/07/344609607.db2.gz POGIPYUEVMUQQS-YFKPBYRVSA-N 0 0 172.615 1.567 10 0 ADAERN CC[C@@H]1CCc2cc(NC)nnc21 229666242 344610101 /nfs/dbraw/zinc/61/01/01/344610101.db2.gz IIUGJHIESJWOQJ-SSDOTTSWSA-N 0 0 177.251 1.958 10 0 ADAERN CNc1ccc([C@@H]2CCOC2)nn1 229666253 344610104 /nfs/dbraw/zinc/61/01/04/344610104.db2.gz OJENEPOGDOXKDN-SSDOTTSWSA-N 0 0 179.223 1.022 10 0 ADAERN CC[C@@H]1CCc2cnc(N)nc21 229667243 344610118 /nfs/dbraw/zinc/61/01/18/344610118.db2.gz GYZJCSWQQZBETC-ZCFIWIBFSA-N 0 0 163.224 1.499 10 0 ADAERN C[C@@](N)([C@H]1CCOC1)C(F)(F)F 229667379 344610119 /nfs/dbraw/zinc/61/01/19/344610119.db2.gz IQNNDMGELHGHIQ-NTSWFWBYSA-N 0 0 183.173 1.303 10 0 ADAERN CC[C@H]1CCc2c(NC)n[nH]c21 229666885 344610120 /nfs/dbraw/zinc/61/01/20/344610120.db2.gz JSGUPJRAARJWOK-LURJTMIESA-N 0 0 165.240 1.891 10 0 ADAERN CNc1ccc([C@H]2CCOC2)nn1 229666259 344610121 /nfs/dbraw/zinc/61/01/21/344610121.db2.gz OJENEPOGDOXKDN-ZETCQYMHSA-N 0 0 179.223 1.022 10 0 ADAERN CC(C)[C@@H](NN)[C@@H]1CCCS1 229666857 344610123 /nfs/dbraw/zinc/61/01/23/344610123.db2.gz RMDZHYSBYYAKFS-JGVFFNPUSA-N 0 0 174.313 1.370 10 0 ADAERN CC[C@H]1CCc2cc(N)nnc21 229666213 344610126 /nfs/dbraw/zinc/61/01/26/344610126.db2.gz URYLLEQTFIZIQF-LURJTMIESA-N 0 0 163.224 1.499 10 0 ADAERN CNc1nccc([C@H]2CCOC2)n1 229667265 344610130 /nfs/dbraw/zinc/61/01/30/344610130.db2.gz IFBJOMKOVICNRA-ZETCQYMHSA-N 0 0 179.223 1.022 10 0 ADAERN Cc1cc(-c2nsnc2N)ccn1 229600532 344607175 /nfs/dbraw/zinc/60/71/75/344607175.db2.gz LPXABSVYBQEIDK-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cc(-c2ccc(N)nn2)ccn1 229599304 344607180 /nfs/dbraw/zinc/60/71/80/344607180.db2.gz YXGAEWUPQKSNMH-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN C[C@H](NN)c1ccc(Cl)cn1 229594029 344607194 /nfs/dbraw/zinc/60/71/94/344607194.db2.gz ATIJPCBJMJGFSN-YFKPBYRVSA-N 0 0 171.631 1.259 10 0 ADAERN CC1([C@H](NN)C2CC2)CC1 229623049 344607660 /nfs/dbraw/zinc/60/76/60/344607660.db2.gz LIWXLPQGERHZOO-SSDOTTSWSA-N 0 0 140.230 1.028 10 0 ADAERN C[C@H](NN)c1ccnc(Cl)c1 229616074 344607665 /nfs/dbraw/zinc/60/76/65/344607665.db2.gz ZQWKUEIFTNODST-YFKPBYRVSA-N 0 0 171.631 1.259 10 0 ADAERN CC[C@H](NN)c1ccnc(Cl)c1 229615123 344607685 /nfs/dbraw/zinc/60/76/85/344607685.db2.gz ZHXCYZNHCVTSBS-ZETCQYMHSA-N 0 0 185.658 1.649 10 0 ADAERN CC(C)[C@@H](NN)C1(C)CC1 229625823 344607700 /nfs/dbraw/zinc/60/77/00/344607700.db2.gz BANRHXUMVROTPC-SSDOTTSWSA-N 0 0 142.246 1.274 10 0 ADAERN ON[C@@H]1CCCc2ccc(O)cc21 229612058 344607709 /nfs/dbraw/zinc/60/77/09/344607709.db2.gz CZBOLULNDBBCMV-SNVBAGLBSA-N 0 0 179.219 1.748 10 0 ADAERN ON[C@H]1CCCc2ccc(O)cc21 229612065 344607720 /nfs/dbraw/zinc/60/77/20/344607720.db2.gz CZBOLULNDBBCMV-JTQLQIEISA-N 0 0 179.219 1.748 10 0 ADAERN Cc1cncc([C@@H](NN)C2(C)CC2)c1 229625303 344607728 /nfs/dbraw/zinc/60/77/28/344607728.db2.gz LIUAHMPVJKYRIO-SNVBAGLBSA-N 0 0 191.278 1.695 10 0 ADAERN Cc1cncc([C@H](NN)C2(C)CC2)c1 229625310 344607732 /nfs/dbraw/zinc/60/77/32/344607732.db2.gz LIUAHMPVJKYRIO-JTQLQIEISA-N 0 0 191.278 1.695 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)[C@H]1CCOC1 229622684 344607752 /nfs/dbraw/zinc/60/77/52/344607752.db2.gz KPLCXJXOMUPDOC-SFYZADRCSA-N 0 0 181.239 1.247 10 0 ADAERN C[C@H](Nc1cn[nH]c1)[C@@H]1CCOC1 229622675 344607762 /nfs/dbraw/zinc/60/77/62/344607762.db2.gz KPLCXJXOMUPDOC-JGVFFNPUSA-N 0 0 181.239 1.247 10 0 ADAERN CC[C@@H](NN)c1ccnc(Cl)c1 229615112 344607776 /nfs/dbraw/zinc/60/77/76/344607776.db2.gz ZHXCYZNHCVTSBS-SSDOTTSWSA-N 0 0 185.658 1.649 10 0 ADAERN CC(C)[C@H](NN)C1(C)CC1 229625832 344607782 /nfs/dbraw/zinc/60/77/82/344607782.db2.gz BANRHXUMVROTPC-ZETCQYMHSA-N 0 0 142.246 1.274 10 0 ADAERN CC(C)[C@H](NN)c1ccnc(Cl)c1 229614505 344607795 /nfs/dbraw/zinc/60/77/95/344607795.db2.gz YIORZZJQACCNRW-VIFPVBQESA-N 0 0 199.685 1.895 10 0 ADAERN CC(C)[C@H](NN)c1ccc(Cl)nc1 229619498 344607809 /nfs/dbraw/zinc/60/78/09/344607809.db2.gz SSCCGJUPDSHSET-VIFPVBQESA-N 0 0 199.685 1.895 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)[C@@H]1CCOC1 229622664 344607812 /nfs/dbraw/zinc/60/78/12/344607812.db2.gz KPLCXJXOMUPDOC-HTQZYQBOSA-N 0 0 181.239 1.247 10 0 ADAERN CC(C)[C@@H](NN)c1ccnc(Cl)c1 229614502 344607813 /nfs/dbraw/zinc/60/78/13/344607813.db2.gz YIORZZJQACCNRW-SECBINFHSA-N 0 0 199.685 1.895 10 0 ADAERN CC1([C@@H](NN)C2CC2)CC1 229623039 344607817 /nfs/dbraw/zinc/60/78/17/344607817.db2.gz LIWXLPQGERHZOO-ZETCQYMHSA-N 0 0 140.230 1.028 10 0 ADAERN C[C@@H](NN)c1ccnc(Cl)c1 229616064 344607821 /nfs/dbraw/zinc/60/78/21/344607821.db2.gz ZQWKUEIFTNODST-RXMQYKEDSA-N 0 0 171.631 1.259 10 0 ADAERN CC1([C@@H](NN)C2CCC2)CC1 229629272 344608267 /nfs/dbraw/zinc/60/82/67/344608267.db2.gz XYPFCPFSQACCNB-QMMMGPOBSA-N 0 0 154.257 1.419 10 0 ADAERN C[C@]1([C@@H]2CCOC2)CC(=O)CCO1 229668030 344610600 /nfs/dbraw/zinc/61/06/00/344610600.db2.gz OGFBSNKVWKBZRU-PSASIEDQSA-N 0 0 184.235 1.161 10 0 ADAERN CC[C@@H]1CCC[C@@]12NC(=O)N=C2N 229677775 344611253 /nfs/dbraw/zinc/61/12/53/344611253.db2.gz SCEXLNSNYAWDGP-HZGVNTEJSA-N 0 0 181.239 1.016 10 0 ADAERN S=c1[nH]cc([C@H]2CCOC2)[nH]1 229678343 344611282 /nfs/dbraw/zinc/61/12/82/344611282.db2.gz INBYPACMUJTSOV-YFKPBYRVSA-N 0 0 170.237 1.202 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]1(C)[C@@H]1CCOC1 229676668 344611284 /nfs/dbraw/zinc/61/12/84/344611284.db2.gz AYTRFCBIZOSOKU-YWVKMMECSA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@H]1CCC[C@@]1([NH2+]C)C(=O)[O-] 229691599 344611763 /nfs/dbraw/zinc/61/17/63/344611763.db2.gz CGJIMADXPQMBQU-CBAPKCEASA-N 0 0 171.240 1.239 10 0 ADAERN CC[C@@H]1CCC[C@@]1([NH2+]C)C(=O)[O-] 229691589 344611767 /nfs/dbraw/zinc/61/17/67/344611767.db2.gz CGJIMADXPQMBQU-APPZFPTMSA-N 0 0 171.240 1.239 10 0 ADAERN CC(C)=C[C@@H](NN)[C@]1(C)CCCCO1 229689553 344611769 /nfs/dbraw/zinc/61/17/69/344611769.db2.gz NSYVSXJCTYMWRB-MNOVXSKESA-N 0 0 198.310 1.744 10 0 ADAERN Nc1cc(F)cc(F)c1N1CCC1=O 229684288 344611811 /nfs/dbraw/zinc/61/18/11/344611811.db2.gz XEPMWJAAHAMYPB-UHFFFAOYSA-N 0 0 198.172 1.284 10 0 ADAERN C[C@@H](NN)c1cnc2ccsc2c1 229692203 344611822 /nfs/dbraw/zinc/61/18/22/344611822.db2.gz FTDKWFGWVQXYAD-ZCFIWIBFSA-N 0 0 193.275 1.821 10 0 ADAERN Nc1cccc(CN2CCC2=O)c1 229684194 344611829 /nfs/dbraw/zinc/61/18/29/344611829.db2.gz QSDBHLWASQRDCN-UHFFFAOYSA-N 0 0 176.219 1.001 10 0 ADAERN C[C@](O)(C1CCCC1)[C@@H]1CCOC1 229701236 344612252 /nfs/dbraw/zinc/61/22/52/344612252.db2.gz OIDWWGKLEXUMKD-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN C[C@](O)(c1ccco1)[C@@H]1CCOC1 229701868 344612263 /nfs/dbraw/zinc/61/22/63/344612263.db2.gz QTDCMFQBQNLSDM-PSASIEDQSA-N 0 0 182.219 1.524 10 0 ADAERN CC[C@H]1CCC[C@]12CC(=O)N2 229706888 344612293 /nfs/dbraw/zinc/61/22/93/344612293.db2.gz PFOQFCVQMULTFM-CBAPKCEASA-N 0 0 153.225 1.455 10 0 ADAERN CC[C@@H]1CCC[C@@]12CC(=O)N2 229706871 344612329 /nfs/dbraw/zinc/61/23/29/344612329.db2.gz PFOQFCVQMULTFM-VXNVDRBHSA-N 0 0 153.225 1.455 10 0 ADAERN CC[C@@H]1CCC[C@]1(O)COC 229696407 344612333 /nfs/dbraw/zinc/61/23/33/344612333.db2.gz NZKXTILJKUQSPJ-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CC[C@H]1CCC[C@]1(O)COC 229696412 344612338 /nfs/dbraw/zinc/61/23/38/344612338.db2.gz NZKXTILJKUQSPJ-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN N#CNC1(C(F)(F)F)CC1 229698538 344612342 /nfs/dbraw/zinc/61/23/42/344612342.db2.gz OANKRUTWSMYZQJ-UHFFFAOYSA-N 0 0 150.103 1.152 10 0 ADAERN C[C@@](O)(C1CCCC1)[C@H]1CCOC1 229701241 344612350 /nfs/dbraw/zinc/61/23/50/344612350.db2.gz OIDWWGKLEXUMKD-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H](Nc1nncs1)c1cn[nH]c1 229727624 344612968 /nfs/dbraw/zinc/61/29/68/344612968.db2.gz ZBIHTUVGSXABOD-YFKPBYRVSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@H](NN)[C@@H]1SCCS[C@@H]1C 229735258 344613006 /nfs/dbraw/zinc/61/30/06/344613006.db2.gz XDFZZEULYQGTEU-XVMARJQXSA-N 0 0 192.353 1.075 10 0 ADAERN Cc1nccc([C@@H](NN)C2CCC2)n1 229751810 344613888 /nfs/dbraw/zinc/61/38/88/344613888.db2.gz MUWVNFPGZKQFHE-JTQLQIEISA-N 0 0 192.266 1.090 10 0 ADAERN CCOc1cc(Cl)nc2ncnn12 229749930 344613889 /nfs/dbraw/zinc/61/38/89/344613889.db2.gz JZQQHUQDJKECNY-UHFFFAOYSA-N 0 0 198.613 1.176 10 0 ADAERN C[C@@]1(CC2CC2)C[NH2+]C[C@H]1C(=O)[O-] 229755398 344614431 /nfs/dbraw/zinc/61/44/31/344614431.db2.gz XTMKNMSZKAOWBZ-WCBMZHEXSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@]1(CC2CC2)C[NH2+]C[C@H]1C(=O)[O-] 229755405 344614713 /nfs/dbraw/zinc/61/47/13/344614713.db2.gz XTMKNMSZKAOWBZ-WPRPVWTQSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@H]1NC(=O)C[C@]1(C)CC1CC1 229765253 344614909 /nfs/dbraw/zinc/61/49/09/344614909.db2.gz QJIGETYWUUUXBP-XVKPBYJWSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@]1(CC2CCC2)CNC(=O)C1 229765229 344614921 /nfs/dbraw/zinc/61/49/21/344614921.db2.gz FTQMSBBMKKSJED-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@H]1NC(=O)C[C@@]1(C)CC1CC1 229765247 344614928 /nfs/dbraw/zinc/61/49/28/344614928.db2.gz QJIGETYWUUUXBP-GMSGAONNSA-N 0 0 167.252 1.701 10 0 ADAERN CCOCC(=O)Nc1onc(C)c1C 229763252 344614947 /nfs/dbraw/zinc/61/49/47/344614947.db2.gz UQXJHCSXAKCCCZ-UHFFFAOYSA-N 0 0 198.222 1.266 10 0 ADAERN CCNc1cc([C@@H]2CCOC2)[nH]n1 229666893 344610134 /nfs/dbraw/zinc/61/01/34/344610134.db2.gz BJNDBBDIUDYDHG-SSDOTTSWSA-N 0 0 181.239 1.345 10 0 ADAERN CNc1nccc([C@@H]2CCOC2)n1 229667259 344610135 /nfs/dbraw/zinc/61/01/35/344610135.db2.gz IFBJOMKOVICNRA-SSDOTTSWSA-N 0 0 179.223 1.022 10 0 ADAERN CCCNc1cc([C@H]2CCOC2)[nH]n1 229666935 344610142 /nfs/dbraw/zinc/61/01/42/344610142.db2.gz IIOSCAYMWZHGBN-QMMMGPOBSA-N 0 0 195.266 1.736 10 0 ADAERN CC[C@H]1CCc2cnc(NC)nc21 229667283 344610145 /nfs/dbraw/zinc/61/01/45/344610145.db2.gz DQFIOEWUSKNFRS-ZETCQYMHSA-N 0 0 177.251 1.958 10 0 ADAERN C[C@](N)([C@H]1CCOC1)C(F)(F)F 229667384 344610160 /nfs/dbraw/zinc/61/01/60/344610160.db2.gz IQNNDMGELHGHIQ-WDSKDSINSA-N 0 0 183.173 1.303 10 0 ADAERN CCNc1ccc([C@@H]2CCOC2)nn1 229666285 344610161 /nfs/dbraw/zinc/61/01/61/344610161.db2.gz HTCWEOITAPEMQQ-MRVPVSSYSA-N 0 0 193.250 1.412 10 0 ADAERN CCNc1cc([C@H]2CCOC2)[nH]n1 229666899 344610164 /nfs/dbraw/zinc/61/01/64/344610164.db2.gz BJNDBBDIUDYDHG-ZETCQYMHSA-N 0 0 181.239 1.345 10 0 ADAERN C[C@]1(CC2CCC2)COC(N)=N1 229762265 344614965 /nfs/dbraw/zinc/61/49/65/344614965.db2.gz HRLJAQYKZGHXEZ-VIFPVBQESA-N 0 0 168.240 1.280 10 0 ADAERN C[C@@]1(CC2CC2)CNC(=O)O1 229762387 344615024 /nfs/dbraw/zinc/61/50/24/344615024.db2.gz HAKCKZGIXZRVBU-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@]1(CC2CCC2)CNC(=O)O1 229762377 344615057 /nfs/dbraw/zinc/61/50/57/344615057.db2.gz WDTCCZUTYCAOOJ-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN C[C@@]1(CC2CCC2)COC(=O)N1 229762311 344615169 /nfs/dbraw/zinc/61/51/69/344615169.db2.gz ZAZCOPGHQGHSFR-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@@]1(C)CC1CC1 229769992 344615422 /nfs/dbraw/zinc/61/54/22/344615422.db2.gz GEWAXZBNWDCTBB-RDDDGLTNSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H](NN)[C@@H]1COc2ccccc21 229774301 344615424 /nfs/dbraw/zinc/61/54/24/344615424.db2.gz ITZMLWDRFDAGLJ-APPZFPTMSA-N 0 0 178.235 1.014 10 0 ADAERN C[C@]1(CC2CCC2)NC(=O)N=C1N 229772945 344615428 /nfs/dbraw/zinc/61/54/28/344615428.db2.gz SIJJZJCKSCNZAW-SECBINFHSA-N 0 0 181.239 1.016 10 0 ADAERN NN[C@@H](c1ccsc1)C(F)F 229799802 344615874 /nfs/dbraw/zinc/61/58/74/344615874.db2.gz OTYPKFLLADHIKF-YFKPBYRVSA-N 0 0 178.207 1.518 10 0 ADAERN CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1O 229799876 344615878 /nfs/dbraw/zinc/61/58/78/344615878.db2.gz ZORHSPPIEMLBRM-SCZZXKLOSA-N 0 0 197.278 1.016 10 0 ADAERN NN[C@H](C(F)F)C1CCCC1 229800049 344615881 /nfs/dbraw/zinc/61/58/81/344615881.db2.gz IYLSAZLQGHMYLT-LURJTMIESA-N 0 0 164.199 1.274 10 0 ADAERN NN[C@H](c1ccco1)C(F)F 229799499 344615898 /nfs/dbraw/zinc/61/58/98/344615898.db2.gz ZVGGUCWBJWUMBN-RXMQYKEDSA-N 0 0 162.139 1.049 10 0 ADAERN NN[C@@H](c1ccccc1F)C(F)F 229800755 344615964 /nfs/dbraw/zinc/61/59/64/344615964.db2.gz GVCIQLKWAJMQQV-ZETCQYMHSA-N 0 0 190.168 1.595 10 0 ADAERN CC(C)(C)[C@@H](NN)C(F)(F)Cl 229809965 344616341 /nfs/dbraw/zinc/61/63/41/344616341.db2.gz QINXPQUGRVKXLN-SCSAIBSYSA-N 0 0 186.633 1.696 10 0 ADAERN NN[C@H](C1CCC1)C(F)(F)Cl 229810127 344616346 /nfs/dbraw/zinc/61/63/46/344616346.db2.gz HRSUPPSOJYLHPB-RXMQYKEDSA-N 0 0 184.617 1.450 10 0 ADAERN CCCc1nnc(-c2cncnc2)[nH]1 229808447 344616358 /nfs/dbraw/zinc/61/63/58/344616358.db2.gz XTKOCHQGSPOWMU-UHFFFAOYSA-N 0 0 189.222 1.214 10 0 ADAERN Cc1c(-c2cncnc2)noc1N 229807830 344616363 /nfs/dbraw/zinc/61/63/63/344616363.db2.gz AYRYGKXVSVYOAQ-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN NN[C@H](c1ccc(F)cc1)C(F)F 229802421 344616394 /nfs/dbraw/zinc/61/63/94/344616394.db2.gz DYPHFTGEFINJOA-SSDOTTSWSA-N 0 0 190.168 1.595 10 0 ADAERN NN[C@H](c1ccoc1)C(F)(F)Cl 229810109 344616402 /nfs/dbraw/zinc/61/64/02/344616402.db2.gz ZAVJJXKAMKJCGX-RXMQYKEDSA-N 0 0 196.584 1.616 10 0 ADAERN CCc1c(N)n[nH]c1-c1cncnc1 229807182 344616492 /nfs/dbraw/zinc/61/64/92/344616492.db2.gz IPEJCTRBEWTURH-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN CC[C@H](NN)C(F)(F)Cl 229807847 344616496 /nfs/dbraw/zinc/61/64/96/344616496.db2.gz TYODTFAYILNOGR-VKHMYHEASA-N 0 0 158.579 1.060 10 0 ADAERN Cc1cccc([C@@H](NN)C(F)F)c1 229801327 344616499 /nfs/dbraw/zinc/61/64/99/344616499.db2.gz FNWGDDJEJVCASN-MRVPVSSYSA-N 0 0 186.205 1.765 10 0 ADAERN CC(C)[C@H](NN)C(F)(F)Cl 229807098 344616500 /nfs/dbraw/zinc/61/65/00/344616500.db2.gz OZBJXECXRCMJPN-BYPYZUCNSA-N 0 0 172.606 1.306 10 0 ADAERN NN[C@H](C(F)F)C1CCCCC1 229801317 344616501 /nfs/dbraw/zinc/61/65/01/344616501.db2.gz MYXCTHBDNWSEHP-ZETCQYMHSA-N 0 0 178.226 1.664 10 0 ADAERN CC(C)c1nnc(-c2cncnc2)[nH]1 229808437 344616504 /nfs/dbraw/zinc/61/65/04/344616504.db2.gz ZQFDPNAUXBMDFC-UHFFFAOYSA-N 0 0 189.222 1.385 10 0 ADAERN CC(C)(C)[C@@H](NN)C(F)F 229803884 344616508 /nfs/dbraw/zinc/61/65/08/344616508.db2.gz LTEOXARFKPRUGZ-BYPYZUCNSA-N 0 0 152.188 1.130 10 0 ADAERN CC(C)(C)[C@H](NN)C(F)F 229803891 344616509 /nfs/dbraw/zinc/61/65/09/344616509.db2.gz LTEOXARFKPRUGZ-SCSAIBSYSA-N 0 0 152.188 1.130 10 0 ADAERN CC1CCC([C@H](NN)C(F)F)CC1 229802777 344616510 /nfs/dbraw/zinc/61/65/10/344616510.db2.gz SXAXKYAMNLPCLN-RRQHEKLDSA-N 0 0 192.253 1.910 10 0 ADAERN NN[C@@H](c1ccco1)C(F)(F)Cl 229805428 344616518 /nfs/dbraw/zinc/61/65/18/344616518.db2.gz DFTZRYHMTPHHOF-YFKPBYRVSA-N 0 0 196.584 1.616 10 0 ADAERN Cc1cccc([C@H](NN)C(F)F)c1 229801335 344616525 /nfs/dbraw/zinc/61/65/25/344616525.db2.gz FNWGDDJEJVCASN-QMMMGPOBSA-N 0 0 186.205 1.765 10 0 ADAERN NN[C@@H](c1ccoc1)C(F)(F)Cl 229810100 344616526 /nfs/dbraw/zinc/61/65/26/344616526.db2.gz ZAVJJXKAMKJCGX-YFKPBYRVSA-N 0 0 196.584 1.616 10 0 ADAERN CC(C)=C[C@H](NN)C(F)F 229804630 344616530 /nfs/dbraw/zinc/61/65/30/344616530.db2.gz FOQDBYVSQGYLRR-YFKPBYRVSA-N 0 0 150.172 1.050 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cncnc1 229817324 344616944 /nfs/dbraw/zinc/61/69/44/344616944.db2.gz DLTIMNXECNQEKR-CBAPKCEASA-N 0 0 164.208 1.094 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cncnc1 229817332 344616945 /nfs/dbraw/zinc/61/69/45/344616945.db2.gz DLTIMNXECNQEKR-VXNVDRBHSA-N 0 0 164.208 1.094 10 0 ADAERN Clc1noc(-c2cncnc2)n1 229816401 344616954 /nfs/dbraw/zinc/61/69/54/344616954.db2.gz COOSIJOXZFBLHK-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cncnc1 229817338 344616958 /nfs/dbraw/zinc/61/69/58/344616958.db2.gz DLTIMNXECNQEKR-IONNQARKSA-N 0 0 164.208 1.094 10 0 ADAERN CC(C)=C[C@H](NN)C(F)(F)Cl 229810746 344616965 /nfs/dbraw/zinc/61/69/65/344616965.db2.gz XXKCBOLPZAUPEB-YFKPBYRVSA-N 0 0 184.617 1.616 10 0 ADAERN CC(C)=C[C@@H](NN)C(F)(F)Cl 229810737 344616985 /nfs/dbraw/zinc/61/69/85/344616985.db2.gz XXKCBOLPZAUPEB-RXMQYKEDSA-N 0 0 184.617 1.616 10 0 ADAERN C[C@]1(CC2CC2)CNC(=O)C1 229765215 344614954 /nfs/dbraw/zinc/61/49/54/344614954.db2.gz CKGFPEVOLDWUAM-SECBINFHSA-N 0 0 153.225 1.313 10 0 ADAERN CC1(NCC(F)F)CCOCC1 229896933 344619302 /nfs/dbraw/zinc/61/93/02/344619302.db2.gz TZTRMIAPAJSUPZ-UHFFFAOYSA-N 0 0 179.210 1.410 10 0 ADAERN N[C@H](Cc1cccs1)C(F)F 229942828 344621261 /nfs/dbraw/zinc/62/12/61/344621261.db2.gz UWLYRAOVCBLYLB-ZCFIWIBFSA-N 0 0 177.219 1.883 10 0 ADAERN CC[C@@H](O)CNc1cc(C)cc(N)c1 229958069 344621547 /nfs/dbraw/zinc/62/15/47/344621547.db2.gz HUILEQCOVHZDLW-LLVKDONJSA-N 0 0 194.278 1.760 10 0 ADAERN CC[C@H](O)CNc1ccccc1N 229958624 344621550 /nfs/dbraw/zinc/62/15/50/344621550.db2.gz NDRBNNOQWDLKBI-QMMMGPOBSA-N 0 0 180.251 1.452 10 0 ADAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cn[nH]c1 229952437 344621657 /nfs/dbraw/zinc/62/16/57/344621657.db2.gz CFHBSWQHDNKNCM-ZKWXMUAHSA-N 0 0 193.250 1.243 10 0 ADAERN Cc1cccnc1NC[C@H](O)C(C)C 229997128 344622315 /nfs/dbraw/zinc/62/23/15/344622315.db2.gz CBAKWLNYZCMUAY-JTQLQIEISA-N 0 0 194.278 1.819 10 0 ADAERN C[N@H+]1[C@H](C(=O)[O-])CC[C@@H]2CCCC[C@@H]21 230062031 344625241 /nfs/dbraw/zinc/62/52/41/344625241.db2.gz NYUUQXBEXPRMBL-GUBZILKMSA-N 0 0 197.278 1.724 10 0 ADAERN c1cnn([C@H]2CCCOC2)c1 230076565 344625786 /nfs/dbraw/zinc/62/57/86/344625786.db2.gz RGHLDQYGDSMUSD-QMMMGPOBSA-N 0 0 152.197 1.235 10 0 ADAERN CCCn1ccc2cc[nH]c(=O)c21 230099366 344626244 /nfs/dbraw/zinc/62/62/44/344626244.db2.gz RFZJZBHGPWVMIZ-UHFFFAOYSA-N 0 0 176.219 1.740 10 0 ADAERN Cc1cncc2c(=O)c(Cl)c[nH]c12 230094900 344626261 /nfs/dbraw/zinc/62/62/61/344626261.db2.gz KAXCGBABVRCDGP-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN O=c1[nH]ccc2ccn(CC(F)F)c12 230099689 344626264 /nfs/dbraw/zinc/62/62/64/344626264.db2.gz ZRNICSZNWZAAHA-UHFFFAOYSA-N 0 0 198.172 1.595 10 0 ADAERN O=c1[nH]ccc2ccn(C3CC3)c12 230099323 344626270 /nfs/dbraw/zinc/62/62/70/344626270.db2.gz BXLMKCXZNOAROH-UHFFFAOYSA-N 0 0 174.203 1.665 10 0 ADAERN [NH3+]Cc1ccc2ccc(F)c(F)c2n1 230093384 344626276 /nfs/dbraw/zinc/62/62/76/344626276.db2.gz BZLSACFOWYLNNZ-UHFFFAOYSA-N 0 0 194.184 1.972 10 0 ADAERN c1cnc(NCC[C@@H]2CCOC2)cn1 230102406 344626292 /nfs/dbraw/zinc/62/62/92/344626292.db2.gz PHSLOMSHRSYFRW-SECBINFHSA-N 0 0 193.250 1.315 10 0 ADAERN c1cnc(NCC[C@H]2CCOC2)cn1 230102409 344626300 /nfs/dbraw/zinc/62/63/00/344626300.db2.gz PHSLOMSHRSYFRW-VIFPVBQESA-N 0 0 193.250 1.315 10 0 ADAERN COC(=O)c1ccnc2ccncc12 230096453 344626301 /nfs/dbraw/zinc/62/63/01/344626301.db2.gz XFIYCGNNKYQLPQ-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN Cc1c[nH]cc2c(=O)ccnc1-2 230094912 344626303 /nfs/dbraw/zinc/62/63/03/344626303.db2.gz XGNAGGBWPVMWQA-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN CC(C)Cn1ccc2cc[nH]c(=O)c21 230099330 344626307 /nfs/dbraw/zinc/62/63/07/344626307.db2.gz RGOGNWBTOMHGKS-UHFFFAOYSA-N 0 0 190.246 1.986 10 0 ADAERN CCn1ccc2cc(C)[nH]c(=O)c21 230099959 344626309 /nfs/dbraw/zinc/62/63/09/344626309.db2.gz LDVPLYWGPCWEIY-UHFFFAOYSA-N 0 0 176.219 1.658 10 0 ADAERN Cc1cc2ccn(C3CC3)c2c(=O)[nH]1 230100001 344626315 /nfs/dbraw/zinc/62/63/15/344626315.db2.gz NQJSHVOJMHEWQI-UHFFFAOYSA-N 0 0 188.230 1.973 10 0 ADAERN Cc1cc2c(=O)cc[nH]c2c(C)n1 230094839 344626317 /nfs/dbraw/zinc/62/63/17/344626317.db2.gz WAZVJONXDVEVFB-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN O=c1ccnc2c(F)c[nH]cc1-2 230094989 344626320 /nfs/dbraw/zinc/62/63/20/344626320.db2.gz VHGGYDMEIPSJPM-UHFFFAOYSA-N 0 0 164.139 1.062 10 0 ADAERN CC(C)n1ccc2cc[nH]c(=O)c21 230098953 344626323 /nfs/dbraw/zinc/62/63/23/344626323.db2.gz HDQNZXVVXPTYEI-UHFFFAOYSA-N 0 0 176.219 1.911 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N1CCOCC1 230146973 344626871 /nfs/dbraw/zinc/62/68/71/344626871.db2.gz VZOMIKFUAFRMHL-UWVGGRQHSA-N 0 0 197.278 1.281 10 0 ADAERN CON(C)C(=O)[C@H]1CCC[C@H]1C 230169311 344627411 /nfs/dbraw/zinc/62/74/11/344627411.db2.gz ZZVDLPOODKYJRE-SFYZADRCSA-N 0 0 171.240 1.442 10 0 ADAERN CON(C)C(=O)[C@@H]1CCC[C@H]1C 230169309 344627712 /nfs/dbraw/zinc/62/77/12/344627712.db2.gz ZZVDLPOODKYJRE-HTQZYQBOSA-N 0 0 171.240 1.442 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)NC(C)(C)CO 230171476 344628015 /nfs/dbraw/zinc/62/80/15/344628015.db2.gz JDTNNFRQNCTFEK-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN O[C@H]1C=C(c2cnccn2)CCCC1 230171540 344628021 /nfs/dbraw/zinc/62/80/21/344628021.db2.gz UTECBODUMXHCKV-SNVBAGLBSA-N 0 0 190.246 1.795 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)NC1(CO)CC1 230175556 344628023 /nfs/dbraw/zinc/62/80/23/344628023.db2.gz VOVOOBPOALVTBP-IUCAKERBSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)NCC(C)(C)O 230173758 344628035 /nfs/dbraw/zinc/62/80/35/344628035.db2.gz NYJCYGCYYPRURD-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH]n1 230170796 344628040 /nfs/dbraw/zinc/62/80/40/344628040.db2.gz KRVLPSDWBCKRPH-YUMQZZPRSA-N 0 0 193.250 1.784 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)Nc1nc[nH]n1 230170140 344628053 /nfs/dbraw/zinc/62/80/53/344628053.db2.gz TWACGMUXOUJRPL-NKWVEPMBSA-N 0 0 194.238 1.179 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)Nc1nc[nH]n1 230170129 344628067 /nfs/dbraw/zinc/62/80/67/344628067.db2.gz TWACGMUXOUJRPL-BQBZGAKWSA-N 0 0 194.238 1.179 10 0 ADAERN Cn1nncc1C1=C[C@@H](O)CCCC1 230173698 344628073 /nfs/dbraw/zinc/62/80/73/344628073.db2.gz NXNODOPOVYKIIG-VIFPVBQESA-N 0 0 193.250 1.133 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)NC1(CO)CC1 230175563 344628077 /nfs/dbraw/zinc/62/80/77/344628077.db2.gz VOVOOBPOALVTBP-DTWKUNHWSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)NC(C)(C)CO 230171487 344628081 /nfs/dbraw/zinc/62/80/81/344628081.db2.gz JDTNNFRQNCTFEK-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](O)C1 230173871 344628093 /nfs/dbraw/zinc/62/80/93/344628093.db2.gz VLXOULHXXLOGOC-UTLUCORTSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)Nc1cc[nH]n1 230170803 344628107 /nfs/dbraw/zinc/62/81/07/344628107.db2.gz KRVLPSDWBCKRPH-JGVFFNPUSA-N 0 0 193.250 1.784 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH]n1 230170791 344628113 /nfs/dbraw/zinc/62/81/13/344628113.db2.gz KRVLPSDWBCKRPH-SFYZADRCSA-N 0 0 193.250 1.784 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)NCC(C)(C)O 230173742 344628119 /nfs/dbraw/zinc/62/81/19/344628119.db2.gz NYJCYGCYYPRURD-BDAKNGLRSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)Nc1cn[nH]c1 230169978 344628125 /nfs/dbraw/zinc/62/81/25/344628125.db2.gz ADBNKYOPKKZLMH-IONNQARKSA-N 0 0 193.250 1.784 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](O)C1 230173880 344628129 /nfs/dbraw/zinc/62/81/29/344628129.db2.gz VLXOULHXXLOGOC-KXUCPTDWSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)NC1(CO)CC1 230175551 344628135 /nfs/dbraw/zinc/62/81/35/344628135.db2.gz VOVOOBPOALVTBP-BDAKNGLRSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)NC(C)(C)CO 230171482 344628137 /nfs/dbraw/zinc/62/81/37/344628137.db2.gz JDTNNFRQNCTFEK-RKDXNWHRSA-N 0 0 199.294 1.310 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)NCC(C)(C)O 230173753 344628139 /nfs/dbraw/zinc/62/81/39/344628139.db2.gz NYJCYGCYYPRURD-RKDXNWHRSA-N 0 0 199.294 1.310 10 0 ADAERN Cc1cccc(C(N)=S)c1N 230278143 344630324 /nfs/dbraw/zinc/63/03/24/344630324.db2.gz JFVQGYSIDGDOKG-UHFFFAOYSA-N 0 0 166.249 1.211 10 0 ADAERN O=C1Nc2c(F)cc(F)cc2C12CC2 230278930 344630334 /nfs/dbraw/zinc/63/03/34/344630334.db2.gz PYQXKCBHTVJYJH-UHFFFAOYSA-N 0 0 195.168 1.949 10 0 ADAERN COc1c(C)cccc1C(N)=S 230278146 344630348 /nfs/dbraw/zinc/63/03/48/344630348.db2.gz MZAPNOKQYZJNMX-UHFFFAOYSA-N 0 0 181.260 1.638 10 0 ADAERN CCONC(=O)c1ccc(O)cc1C 230321431 344630790 /nfs/dbraw/zinc/63/07/90/344630790.db2.gz QILQZGZOGKXXGO-UHFFFAOYSA-N 0 0 195.218 1.382 10 0 ADAERN CC[N@H+](CC1CCC1)[C@@H](C)C(=O)OC 230322431 344630852 /nfs/dbraw/zinc/63/08/52/344630852.db2.gz HLLGOQVPUOCFKN-VIFPVBQESA-N 0 0 199.294 1.670 10 0 ADAERN CCC(C)(CC)NC(=O)NC 230317730 344630915 /nfs/dbraw/zinc/63/09/15/344630915.db2.gz RCACLHSMYCBERH-UHFFFAOYSA-N 0 0 158.245 1.494 10 0 ADAERN OC[C@@H]1CCC[C@H]1Nc1ncns1 230344490 344631307 /nfs/dbraw/zinc/63/13/07/344631307.db2.gz 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ADAERN Cn1ccc([C@@H]2CCC[C@@H](O)C2)n1 231981411 344668696 /nfs/dbraw/zinc/66/86/96/344668696.db2.gz WRBWRBVNXCKWOT-RKDXNWHRSA-N 0 0 180.251 1.439 10 0 ADAERN Cn1ccc([C@@]2(C)CC[C@@H](O)C2)n1 231981672 344668699 /nfs/dbraw/zinc/66/86/99/344668699.db2.gz HQOMTPGARSMAHK-SCZZXKLOSA-N 0 0 180.251 1.223 10 0 ADAERN Cn1ccc([C@H]2CCC[C@@H](O)C2)n1 231981413 344668705 /nfs/dbraw/zinc/66/87/05/344668705.db2.gz WRBWRBVNXCKWOT-DTWKUNHWSA-N 0 0 180.251 1.439 10 0 ADAERN Cn1ccc([C@@H]2CCC[C@H](O)C2)n1 231981415 344668709 /nfs/dbraw/zinc/66/87/09/344668709.db2.gz WRBWRBVNXCKWOT-BDAKNGLRSA-N 0 0 180.251 1.439 10 0 ADAERN Cn1ccc(-c2cncc(O)c2)n1 231989532 344668725 /nfs/dbraw/zinc/66/87/25/344668725.db2.gz KQKMNJHZTADVDK-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1ccn(C)n1 231998977 344669293 /nfs/dbraw/zinc/66/92/93/344669293.db2.gz SFYAVMODBMYGEW-GMSGAONNSA-N 0 0 194.234 1.028 10 0 ADAERN Cc1cc(C(=O)c2ccn(C)n2)co1 231998181 344669302 /nfs/dbraw/zinc/66/93/02/344669302.db2.gz SOZCAFXDVWBHJS-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN C/C(=C\Cl)CNC1COC1 232000379 344669311 /nfs/dbraw/zinc/66/93/11/344669311.db2.gz WOXQLVHPKAWOJZ-QHHAFSJGSA-N 0 0 161.632 1.117 10 0 ADAERN C[C@@H]1CC[C@H](Cn2ccc(N)n2)O1 232000636 344669313 /nfs/dbraw/zinc/66/93/13/344669313.db2.gz ORFFBIRUEWGNRO-HTQZYQBOSA-N 0 0 181.239 1.033 10 0 ADAERN C/C(=C\Cl)CNc1cnn(C)c1 232000351 344669316 /nfs/dbraw/zinc/66/93/16/344669316.db2.gz OQFPIBZPBDAPMN-XVNBXDOJSA-N 0 0 185.658 1.975 10 0 ADAERN C[C@H]1CCCC[C@H]1n1cc[nH]c1=O 231935660 344665709 /nfs/dbraw/zinc/66/57/09/344665709.db2.gz BEWSYZKLUUNGPN-DTWKUNHWSA-N 0 0 180.251 1.928 10 0 ADAERN CC1CCC(n2cc[nH]c2=O)CC1 231935696 344665712 /nfs/dbraw/zinc/66/57/12/344665712.db2.gz CFKXSIVVGGNFLJ-UHFFFAOYSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@H](c1cccs1)n1cc[nH]c1=O 231936567 344665742 /nfs/dbraw/zinc/66/57/42/344665742.db2.gz GRZKQODIZPIGHW-SSDOTTSWSA-N 0 0 194.259 1.847 10 0 ADAERN C[C@@H]1CCC[C@H](n2cc[nH]c2=O)C1 231936486 344665770 /nfs/dbraw/zinc/66/57/70/344665770.db2.gz CNVXIVDGFNEZRC-BDAKNGLRSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@H](c1ccco1)n1cc[nH]c1=O 231936541 344665776 /nfs/dbraw/zinc/66/57/76/344665776.db2.gz DRCKYRVBDYWFPO-SSDOTTSWSA-N 0 0 178.191 1.379 10 0 ADAERN Cc1cc([C@H](O)c2ccn(C)n2)co1 232040175 344670766 /nfs/dbraw/zinc/67/07/66/344670766.db2.gz OMTLGZUUTLTSGP-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN C[C@H]1CC[C@H](Cn2cccn2)O1 232048165 344670825 /nfs/dbraw/zinc/67/08/25/344670825.db2.gz BSNODJFCRXHYFF-DTWKUNHWSA-N 0 0 166.224 1.451 10 0 ADAERN c1ncc(NCc2ccoc2)cn1 232087355 344671684 /nfs/dbraw/zinc/67/16/84/344671684.db2.gz NNNPITOTMTWHGN-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN Nc1cc(CC2CCC2)on1 232175337 344672827 /nfs/dbraw/zinc/67/28/27/344672827.db2.gz KKHYSUAACVLPGM-UHFFFAOYSA-N 0 0 152.197 1.599 10 0 ADAERN Nc1nsc(CC2CCC2)n1 232173920 344672829 /nfs/dbraw/zinc/67/28/29/344672829.db2.gz GWKBGRNEELWWQH-UHFFFAOYSA-N 0 0 169.253 1.463 10 0 ADAERN Cc1cnc(C[S@@](C)=O)c(C)c1N 232233116 344673323 /nfs/dbraw/zinc/67/33/23/344673323.db2.gz VYBPODYUFTUVRE-CYBMUJFWSA-N 0 0 198.291 1.159 10 0 ADAERN Cc1ccc(Cl)c(NCC(N)=O)c1 232242333 344673341 /nfs/dbraw/zinc/67/33/41/344673341.db2.gz UOHDHPUZGHIVBK-UHFFFAOYSA-N 0 0 198.653 1.546 10 0 ADAERN CCc1nc2sc(C)nn2c1C=O 232281354 344673724 /nfs/dbraw/zinc/67/37/24/344673724.db2.gz VJLDGJBKZVSYPF-UHFFFAOYSA-N 0 0 195.247 1.474 10 0 ADAERN CCc1nn2cc(C)nc2s1 232278782 344673750 /nfs/dbraw/zinc/67/37/50/344673750.db2.gz RTBDZHBIHISDKC-UHFFFAOYSA-N 0 0 167.237 1.662 10 0 ADAERN CC(C)c1nc2scnn2c1C=O 232281362 344673755 /nfs/dbraw/zinc/67/37/55/344673755.db2.gz YVEOCPTZHHWJEY-UHFFFAOYSA-N 0 0 195.247 1.727 10 0 ADAERN CCc1nc2scnn2c1C=O 232281376 344673760 /nfs/dbraw/zinc/67/37/60/344673760.db2.gz GTSIUEDDENPJFP-UHFFFAOYSA-N 0 0 181.220 1.166 10 0 ADAERN Cc1nn2cc(C3CC3)nc2s1 232280526 344673769 /nfs/dbraw/zinc/67/37/69/344673769.db2.gz RHKWSDJFPAVXBD-UHFFFAOYSA-N 0 0 179.248 1.977 10 0 ADAERN O=Cc1c(C2CC2)nc2scnn12 232281369 344673771 /nfs/dbraw/zinc/67/37/71/344673771.db2.gz JQTYCLHQKASNFW-UHFFFAOYSA-N 0 0 193.231 1.481 10 0 ADAERN Cc1nnc(N[C@@H](C)C(F)F)s1 232286908 344673774 /nfs/dbraw/zinc/67/37/74/344673774.db2.gz QACVWASYSXZLFB-VKHMYHEASA-N 0 0 193.222 1.912 10 0 ADAERN CCc1nc2scnn2c1C 232280999 344673783 /nfs/dbraw/zinc/67/37/83/344673783.db2.gz UDKCHCSFTCWCDN-UHFFFAOYSA-N 0 0 167.237 1.662 10 0 ADAERN CCc1nnc(N[C@H]2CCOC2)s1 232285092 344673785 /nfs/dbraw/zinc/67/37/85/344673785.db2.gz VMZIDFJUWTZXHC-LURJTMIESA-N 0 0 199.279 1.301 10 0 ADAERN CCc1nn2cc(COC)nc2s1 232279748 344673787 /nfs/dbraw/zinc/67/37/87/344673787.db2.gz NSKXAFMMGXGNRH-UHFFFAOYSA-N 0 0 197.263 1.500 10 0 ADAERN C1=CO[C@@H](CNc2nncs2)CC1 232287371 344673794 /nfs/dbraw/zinc/67/37/94/344673794.db2.gz AQSNVQMJJJVADW-SSDOTTSWSA-N 0 0 197.263 1.643 10 0 ADAERN c1nnsc1NC[C@@H]1CCCO1 232290931 344674268 /nfs/dbraw/zinc/67/42/68/344674268.db2.gz BXNHBFUVBJANLG-LURJTMIESA-N 0 0 185.252 1.129 10 0 ADAERN C[C@@H](Nc1cnns1)c1cc[nH]n1 232289906 344674272 /nfs/dbraw/zinc/67/42/72/344674272.db2.gz BCKSXZFHXJOXIB-RXMQYKEDSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@H](Nc1cnns1)[C@H]1CCOC1 232290231 344674275 /nfs/dbraw/zinc/67/42/75/344674275.db2.gz OUILHNAGYHDTIJ-BQBZGAKWSA-N 0 0 199.279 1.375 10 0 ADAERN c1nnsc1NC[C@@H]1CCCOC1 232291061 344674277 /nfs/dbraw/zinc/67/42/77/344674277.db2.gz DTFSWOQKICPOLY-ZETCQYMHSA-N 0 0 199.279 1.377 10 0 ADAERN C[C@@H](Nc1nncs1)C(C)(C)O 232288884 344674283 /nfs/dbraw/zinc/67/42/83/344674283.db2.gz WBIXXUPFHBRPAW-RXMQYKEDSA-N 0 0 187.268 1.109 10 0 ADAERN C[C@H]1C[C@@H](Nc2nncs2)CCO1 232289124 344674285 /nfs/dbraw/zinc/67/42/85/344674285.db2.gz GIILSFYLKJTLDZ-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN Cc1nc[nH]c1CNc1cnns1 232290819 344674288 /nfs/dbraw/zinc/67/42/88/344674288.db2.gz XVYIARJMARNAPT-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1ccn(C)n1 231998978 344669317 /nfs/dbraw/zinc/66/93/17/344669317.db2.gz SFYAVMODBMYGEW-OIBJUYFYSA-N 0 0 194.234 1.028 10 0 ADAERN C/C(=C/Cl)CNc1ccn(C)n1 232000355 344669322 /nfs/dbraw/zinc/66/93/22/344669322.db2.gz YCSMABPUJPNZDR-ALCCZGGFSA-N 0 0 185.658 1.975 10 0 ADAERN Cn1ccc(C(=O)[C@@H]2CCSC2)n1 231998048 344669328 /nfs/dbraw/zinc/66/93/28/344669328.db2.gz HJTNHZSLDBHCSB-SSDOTTSWSA-N 0 0 196.275 1.356 10 0 ADAERN C/C(=C/Cl)Cn1cc(N)ccc1=O 232003002 344669670 /nfs/dbraw/zinc/66/96/70/344669670.db2.gz VTCKBJWEHDQJBV-DAXSKMNVSA-N 0 0 198.653 1.573 10 0 ADAERN c1ncc(-c2n[nH]c(C3CC3)n2)s1 232471276 344679445 /nfs/dbraw/zinc/67/94/45/344679445.db2.gz VAGKWLBFSDDQPO-UHFFFAOYSA-N 0 0 192.247 1.806 10 0 ADAERN C/C=C/COc1nccc(C)c1N 232477346 344680085 /nfs/dbraw/zinc/68/00/85/344680085.db2.gz OOCHJXRUHIMGED-ONEGZZNKSA-N 0 0 178.235 1.927 10 0 ADAERN CC(=O)c1nc2nccnc2s1 232488578 344680091 /nfs/dbraw/zinc/68/00/91/344680091.db2.gz FYVMQKUMGVVSQY-UHFFFAOYSA-N 0 0 179.204 1.289 10 0 ADAERN CC(C)(C)n1nnc(N)c1C1CC1 232526234 344680863 /nfs/dbraw/zinc/68/08/63/344680863.db2.gz RZUDRTUQXTXBIB-UHFFFAOYSA-N 0 0 180.255 1.493 10 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/nfs/dbraw/zinc/76/59/82/344765982.db2.gz FCTGAZYLSFAIPX-QMMMGPOBSA-N 0 0 199.637 1.167 10 0 ADAERN Cc1ccc(C)n1C[C@@H](O)C(F)F 235778235 344765993 /nfs/dbraw/zinc/76/59/93/344765993.db2.gz DWGMYLHQFPVTCX-MRVPVSSYSA-N 0 0 189.205 1.731 10 0 ADAERN Cc1ccncc1-c1nc(O)c[nH]1 235778075 344766032 /nfs/dbraw/zinc/76/60/32/344766032.db2.gz NFKVXZKWBPGZHZ-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN Cc1cc(NCCO)c(N)cc1F 235775572 344766033 /nfs/dbraw/zinc/76/60/33/344766033.db2.gz JVJVTQNQHCGDJL-UHFFFAOYSA-N 0 0 184.214 1.121 10 0 ADAERN C[C@]1(C(=O)[O-])CCC[N@@H+](C2CC2)C1 235768573 344766053 /nfs/dbraw/zinc/76/60/53/344766053.db2.gz HXCWMLRVNYIJGG-JTQLQIEISA-N 0 0 183.251 1.336 10 0 ADAERN C[C@]1(O)CCN(c2cccc(N)c2)C1 235778385 344766064 /nfs/dbraw/zinc/76/60/64/344766064.db2.gz HAGPEHZQYIAECK-NSHDSACASA-N 0 0 192.262 1.230 10 0 ADAERN Cc1cc(Cl)c(C(=O)NC#N)cn1 235773998 344766065 /nfs/dbraw/zinc/76/60/65/344766065.db2.gz BPCLCSGLHNCSOL-UHFFFAOYSA-N 0 0 195.609 1.254 10 0 ADAERN Cc1ccccc1NC1(CO)CC1 235771847 344766079 /nfs/dbraw/zinc/76/60/79/344766079.db2.gz ZBNFDNIYGDREEJ-UHFFFAOYSA-N 0 0 177.247 1.932 10 0 ADAERN Cc1ccncc1-c1n[nH]c(=O)s1 235777337 344766080 /nfs/dbraw/zinc/76/60/80/344766080.db2.gz IBPUUDSHGDTWBJ-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1c(N)n[nH]c1-c1cncs1 235765202 344766083 /nfs/dbraw/zinc/76/60/83/344766083.db2.gz KBXSFKSPYAWDCL-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Cc1ccc(F)c2c1CCNC2=O 235768519 344766094 /nfs/dbraw/zinc/76/60/94/344766094.db2.gz ZNKKPJCPYBIFGJ-UHFFFAOYSA-N 0 0 179.194 1.420 10 0 ADAERN Cc1cccc(CC(=O)C(C)(C)O)c1 235766780 344766100 /nfs/dbraw/zinc/76/61/00/344766100.db2.gz VXISYNCNKTXTLD-UHFFFAOYSA-N 0 0 192.258 1.878 10 0 ADAERN Cc1ccsc1-c1cc[nH]c(=O)n1 235778255 344766101 /nfs/dbraw/zinc/76/61/01/344766101.db2.gz KWZDHBLFBFATKA-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ccncc1NC1CC1 235786296 344766467 /nfs/dbraw/zinc/76/64/67/344766467.db2.gz BPLWIYLZZLLOHM-UHFFFAOYSA-N 0 0 148.209 1.964 10 0 ADAERN Cc1ccsc1-c1cn[nH]c(=O)c1 235779470 344766478 /nfs/dbraw/zinc/76/64/78/344766478.db2.gz NAGFCKAOXVZMCH-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN C[C@]1(O)CCN(c2ccccc2N)C1 235778922 344766510 /nfs/dbraw/zinc/76/65/10/344766510.db2.gz FGVOKFRNXRXQOA-NSHDSACASA-N 0 0 192.262 1.230 10 0 ADAERN Cc1ccsc1[C@@H](O)[C@@H](O)C1CC1 235795948 344766835 /nfs/dbraw/zinc/76/68/35/344766835.db2.gz FCCILIZSVWADIQ-IUCAKERBSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1csc(CNN)c1Cl 235787412 344766841 /nfs/dbraw/zinc/76/68/41/344766841.db2.gz QRRXNFXZXXZQQK-UHFFFAOYSA-N 0 0 176.672 1.673 10 0 ADAERN Cc1nc(OC(C)(C)C)cc(=O)[nH]1 235791680 344766845 /nfs/dbraw/zinc/76/68/45/344766845.db2.gz FBDPRDLKYKJTED-UHFFFAOYSA-N 0 0 182.223 1.668 10 0 ADAERN Cc1ccc(F)cc1[C@@H]1CC(=O)N1 235787299 344766847 /nfs/dbraw/zinc/76/68/47/344766847.db2.gz OVDLZDKKQGBUDH-VIFPVBQESA-N 0 0 179.194 1.695 10 0 ADAERN Cc1nc(OCC(F)F)cc(=O)[nH]1 235791786 344766855 /nfs/dbraw/zinc/76/68/55/344766855.db2.gz UAYQNXGFWGTFIP-UHFFFAOYSA-N 0 0 190.149 1.135 10 0 ADAERN Cc1ccc(F)cc1[C@H](O)C(C)(C)O 235805293 344767359 /nfs/dbraw/zinc/76/73/59/344767359.db2.gz UPMGRLOXJCMCHD-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN Cc1cnc(Cl)c(NC=O)c1 235812687 344767836 /nfs/dbraw/zinc/76/78/36/344767836.db2.gz XWSYXAFKUMPXLK-UHFFFAOYSA-N 0 0 170.599 1.612 10 0 ADAERN Cc1nccnc1[C@@]1(C)C[C@@H]1CO 235826425 344768224 /nfs/dbraw/zinc/76/82/24/344768224.db2.gz HRBBSDWUXZLPEV-SCZZXKLOSA-N 0 0 178.235 1.055 10 0 ADAERN Cc1nc(N)ccc1-c1ccc[nH]1 235831736 344768567 /nfs/dbraw/zinc/76/85/67/344768567.db2.gz LKPZGCFDEYTYFC-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1nccnc1-c1c[nH]c(=S)[nH]1 235834710 344768571 /nfs/dbraw/zinc/76/85/71/344768571.db2.gz IZNCHRAAUYVUQP-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN Cc1nccnc1-c1csc(=O)[nH]1 235834853 344768575 /nfs/dbraw/zinc/76/85/75/344768575.db2.gz NXCODTUXIRSQDP-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1cc(CO)nc([C@@H]2CC2(C)C)n1 235831033 344768589 /nfs/dbraw/zinc/76/85/89/344768589.db2.gz VSOLILUKABNYAL-VIFPVBQESA-N 0 0 192.262 1.791 10 0 ADAERN Cc1cccc(C)c1-c1nnc(N)o1 235830380 344768591 /nfs/dbraw/zinc/76/85/91/344768591.db2.gz OYOSEZZWPJLIGC-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1[nH]c(-c2cscn2)nc1O 235837738 344768592 /nfs/dbraw/zinc/76/85/92/344768592.db2.gz JBSUDOBKFHVMOY-UHFFFAOYSA-N 0 0 181.220 1.547 10 0 ADAERN Cc1cc(=S)[nH]c([C@@H]2CCOC2)n1 235831089 344768594 /nfs/dbraw/zinc/76/85/94/344768594.db2.gz SYWLMNRSCGRCTI-SSDOTTSWSA-N 0 0 196.275 1.578 10 0 ADAERN Cc1cc(Cl)n[nH]c1=S 235846021 344768887 /nfs/dbraw/zinc/76/88/87/344768887.db2.gz YBBTYVXCMZMMDC-UHFFFAOYSA-N 0 0 160.629 1.727 10 0 ADAERN Cc1c(-c2cccnc2)nc[nH]c1=O 235842881 344768889 /nfs/dbraw/zinc/76/88/89/344768889.db2.gz BRASVNJVWCVEDT-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1cc2c(cc1F)NCCO2 235843080 344768900 /nfs/dbraw/zinc/76/89/00/344768900.db2.gz UXXZCIMNNAUFRC-UHFFFAOYSA-N 0 0 167.183 1.938 10 0 ADAERN Cc1cc2c(cc1F)NC(=O)CO2 235842499 344768909 /nfs/dbraw/zinc/76/89/09/344768909.db2.gz NPEFATAXHHPYJA-UHFFFAOYSA-N 0 0 181.166 1.465 10 0 ADAERN Cc1c(NC2CC2)cccc1C(N)=O 235839322 344768941 /nfs/dbraw/zinc/76/89/41/344768941.db2.gz OVQMZINBOCUILP-UHFFFAOYSA-N 0 0 190.246 1.668 10 0 ADAERN Cc1cc2c(cc1F)NC(=O)CCN2 235841326 344768943 /nfs/dbraw/zinc/76/89/43/344768943.db2.gz GKURUUSRJOZLQT-UHFFFAOYSA-N 0 0 194.209 1.888 10 0 ADAERN Cc1c(-c2cccs2)nc[nH]c1=O 235843113 344768949 /nfs/dbraw/zinc/76/89/49/344768949.db2.gz HEPJKCXVSFAZID-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(-c2cn[nH]c(=O)c2)cs1 235868472 344769105 /nfs/dbraw/zinc/76/91/05/344769105.db2.gz JWJHMEBPMCMTNB-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2CC2(C)C)n1 235859358 344769308 /nfs/dbraw/zinc/76/93/08/344769308.db2.gz IGSGMOKFSQLUEZ-ZETCQYMHSA-N 0 0 178.235 1.592 10 0 ADAERN Cc1cc(-c2n[nH]c(=O)s2)ccn1 235870840 344769317 /nfs/dbraw/zinc/76/93/17/344769317.db2.gz YERRRJMIXHIIMQ-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1cc(-c2cnc[nH]c2=O)cs1 235869065 344769324 /nfs/dbraw/zinc/76/93/24/344769324.db2.gz RBSWTPRABKGYIY-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(C2CC2)[nH]c(=S)n1 235853196 344769329 /nfs/dbraw/zinc/76/93/29/344769329.db2.gz IYQRLTHEBRXSAS-UHFFFAOYSA-N 0 0 166.249 1.951 10 0 ADAERN Cc1cnnc(NCc2ncc[nH]2)c1 235923417 344769616 /nfs/dbraw/zinc/76/96/16/344769616.db2.gz ZDGOEPDSQDHGPD-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1cnc(-c2ccc[nH]2)c(N)c1 235925946 344769650 /nfs/dbraw/zinc/76/96/50/344769650.db2.gz DPZCACXZRKPFHC-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1cnc(-c2cnccn2)c(N)c1 235926335 344769653 /nfs/dbraw/zinc/76/96/53/344769653.db2.gz GVSUXSBKMHILCH-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccc(-c2cn[nH]c(=O)c2)s1 235900806 344769662 /nfs/dbraw/zinc/76/96/62/344769662.db2.gz DOTZJCYMHRJOBL-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ccc(-c2n[nH]c(=O)s2)cc1 235904318 344769693 /nfs/dbraw/zinc/76/96/93/344769693.db2.gz DXKNXWSQTLUWDF-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ccnc(-c2ccc[nH]2)c1N 235926991 344769697 /nfs/dbraw/zinc/76/96/97/344769697.db2.gz SPWDNJYHLKFXON-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1cnnc(N[C@H]2CCSC2)c1 235924773 344769699 /nfs/dbraw/zinc/76/96/99/344769699.db2.gz BBHFIAJEVYBGPL-QMMMGPOBSA-N 0 0 195.291 1.702 10 0 ADAERN Cc1ccc(F)c(CNC2COC2)c1 235904329 344769703 /nfs/dbraw/zinc/76/97/03/344769703.db2.gz GATUPRBYPIFWAA-UHFFFAOYSA-N 0 0 195.237 1.623 10 0 ADAERN Cc1cnnc(N[C@@]2(C)CCOC2)c1 235924420 344769708 /nfs/dbraw/zinc/76/97/08/344769708.db2.gz DIFOOUYFQJRYSU-JTQLQIEISA-N 0 0 193.250 1.376 10 0 ADAERN Cc1nc([C@H]2CC2(C)C)n[nH]1 235931574 344770030 /nfs/dbraw/zinc/77/00/30/344770030.db2.gz QVMDIMLCOUQZAP-ZCFIWIBFSA-N 0 0 151.213 1.627 10 0 ADAERN Cc1cncc(-c2cn[nH]c(=O)c2)c1 235931763 344770035 /nfs/dbraw/zinc/77/00/35/344770035.db2.gz BNADQWBTUJEQAP-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1cnc(CN2CCC(=O)C2)s1 235930923 344770047 /nfs/dbraw/zinc/77/00/47/344770047.db2.gz JFJXHYMTAXWTJV-UHFFFAOYSA-N 0 0 196.275 1.226 10 0 ADAERN Cc1cccc(NC2(CO)CC2)c1 235930149 344770060 /nfs/dbraw/zinc/77/00/60/344770060.db2.gz KQHYKOPSKPJZGC-UHFFFAOYSA-N 0 0 177.247 1.932 10 0 ADAERN Cc1nnc(-c2cnc(C)s2)[nH]1 235932305 344770062 /nfs/dbraw/zinc/77/00/62/344770062.db2.gz OPUWAKKWPAUSCY-UHFFFAOYSA-N 0 0 180.236 1.545 10 0 ADAERN Cc1cccc(NC2CC(O)C2)c1N 235930523 344770074 /nfs/dbraw/zinc/77/00/74/344770074.db2.gz QDLMPDZFMDNURP-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN Cc1cccc(N2CC[C@@H](O)C2)c1N 235928123 344770078 /nfs/dbraw/zinc/77/00/78/344770078.db2.gz HQKJPQJITCRVOZ-SECBINFHSA-N 0 0 192.262 1.148 10 0 ADAERN Cc1nc(OC2CCCC2)cc(=O)[nH]1 235934445 344770080 /nfs/dbraw/zinc/77/00/80/344770080.db2.gz JLLODOSXZZTERK-UHFFFAOYSA-N 0 0 194.234 1.812 10 0 ADAERN Cc1nnc(-c2cncs2)[nH]1 235932332 344770083 /nfs/dbraw/zinc/77/00/83/344770083.db2.gz PUSUEJKSOZBEEC-UHFFFAOYSA-N 0 0 166.209 1.237 10 0 ADAERN Cc1cccc([C@H](O)[C@@H](O)C2CC2)c1 235929692 344770085 /nfs/dbraw/zinc/77/00/85/344770085.db2.gz JNRDWGUGZFCKSP-RYUDHWBXSA-N 0 0 192.258 1.799 10 0 ADAERN Cc1cc(F)c2c(c1F)CC(=O)N2 235927831 344770101 /nfs/dbraw/zinc/77/01/01/344770101.db2.gz SYCWEAOWIOGAHS-UHFFFAOYSA-N 0 0 183.157 1.768 10 0 ADAERN Cc1nc([C@H]2CC2(C)C)[nH]c(=O)c1C 235936944 344770123 /nfs/dbraw/zinc/77/01/23/344770123.db2.gz SCLDSOWLADBHFD-MRVPVSSYSA-N 0 0 192.262 1.900 10 0 ADAERN Cc1nc(-c2ccc[nH]2)cc(=O)[nH]1 235953578 344770442 /nfs/dbraw/zinc/77/04/42/344770442.db2.gz PATXULBRDYNVPA-UHFFFAOYSA-N 0 0 175.191 1.073 10 0 ADAERN Cc1ncc(C2(O)CC2)s1 235949462 344770447 /nfs/dbraw/zinc/77/04/47/344770447.db2.gz IXOYAHCTMLQTFV-UHFFFAOYSA-N 0 0 155.222 1.433 10 0 ADAERN Cc1coc(S[C@H]2CCC[C@H]2O)n1 235942395 344770449 /nfs/dbraw/zinc/77/04/49/344770449.db2.gz MYFDNCLIHZTYFD-SFYZADRCSA-N 0 0 199.275 1.989 10 0 ADAERN Cc1nc2ccc(O)cc2c(=S)[nH]1 235954027 344770455 /nfs/dbraw/zinc/77/04/55/344770455.db2.gz AKUJLQJTYYABKY-UHFFFAOYSA-N 0 0 192.243 1.933 10 0 ADAERN Cc1ncc([C@@H](N)C2=CCCO2)s1 235948185 344770485 /nfs/dbraw/zinc/77/04/85/344770485.db2.gz JBUQBPLNDPARIU-VIFPVBQESA-N 0 0 196.275 1.756 10 0 ADAERN Cc1ncc([C@@H](NN)C2CC2)s1 235950909 344770488 /nfs/dbraw/zinc/77/04/88/344770488.db2.gz HRSGXBKWCARJLA-QMMMGPOBSA-N 0 0 183.280 1.366 10 0 ADAERN Cc1nc(C)c(-c2cc(N)n[nH]2)s1 235951959 344770490 /nfs/dbraw/zinc/77/04/90/344770490.db2.gz BRFXALQGYTYLDW-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1nc(C2CC2)cc(=S)[nH]1 235954269 344770494 /nfs/dbraw/zinc/77/04/94/344770494.db2.gz XVYYNKYGBMKPMQ-UHFFFAOYSA-N 0 0 166.249 1.951 10 0 ADAERN Cc1nc2cc(N)ccc2c(=S)[nH]1 235954184 344770495 /nfs/dbraw/zinc/77/04/95/344770495.db2.gz SKPDAZNUEBCWAE-UHFFFAOYSA-N 0 0 191.259 1.809 10 0 ADAERN Cc1nc2cccc(N)c2c(=S)[nH]1 235953815 344770497 /nfs/dbraw/zinc/77/04/97/344770497.db2.gz BBDFAQNQSPZBMQ-UHFFFAOYSA-N 0 0 191.259 1.809 10 0 ADAERN Cc1coc(S[C@H]2CCC[C@@H]2O)n1 235942310 344770502 /nfs/dbraw/zinc/77/05/02/344770502.db2.gz MYFDNCLIHZTYFD-YUMQZZPRSA-N 0 0 199.275 1.989 10 0 ADAERN Cc1nc(C)c(-c2nc(N)no2)s1 235952868 344770503 /nfs/dbraw/zinc/77/05/03/344770503.db2.gz OWGOPFXFJVBKMM-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN Cc1ncc([C@@H](O)C2CC2)s1 235952287 344770509 /nfs/dbraw/zinc/77/05/09/344770509.db2.gz AFCLZDLOCMRODP-QMMMGPOBSA-N 0 0 169.249 1.895 10 0 ADAERN Cc1nc2ccc(N)cc2c(=S)[nH]1 235954010 344770512 /nfs/dbraw/zinc/77/05/12/344770512.db2.gz TWLNZWBCISEIGV-UHFFFAOYSA-N 0 0 191.259 1.809 10 0 ADAERN Cc1nc2c(c(=S)[nH]1)COCC2 235953651 344770514 /nfs/dbraw/zinc/77/05/14/344770514.db2.gz ZLXYPGZQTLCJQF-UHFFFAOYSA-N 0 0 182.248 1.146 10 0 ADAERN Cc1cnnc(NC[C@@H]2CCOC2)c1 235977596 344771487 /nfs/dbraw/zinc/77/14/87/344771487.db2.gz CCMFLBJQHKYGGF-VIFPVBQESA-N 0 0 193.250 1.233 10 0 ADAERN N=C(NC1CC1)c1ncccc1Cl 236036242 344771786 /nfs/dbraw/zinc/77/17/86/344771786.db2.gz YWPMTOXXGMFDNP-UHFFFAOYSA-N 0 0 195.653 1.812 10 0 ADAERN O=CNc1cc(Cl)nc(Cl)n1 236053375 344771824 /nfs/dbraw/zinc/77/18/24/344771824.db2.gz UZTNOHOAOSYBGI-UHFFFAOYSA-N 0 0 192.005 1.352 10 0 ADAERN CN1CC(=O)N=C1CC(C)(C)C 236061651 344772173 /nfs/dbraw/zinc/77/21/73/344772173.db2.gz RPFJREXDNRYEMF-UHFFFAOYSA-N 0 0 168.240 1.714 10 0 ADAERN Cc1[nH]c(C[C@@H]2CCCCO2)nc1O 235831070 344768458 /nfs/dbraw/zinc/76/84/58/344768458.db2.gz GUXPBEIBWCXKAU-QMMMGPOBSA-N 0 0 196.250 1.535 10 0 ADAERN Cc1[nH]c([C@H]2CCCOC2)nc1O 235834734 344768549 /nfs/dbraw/zinc/76/85/49/344768549.db2.gz AJFAFKRMXJSXAI-ZETCQYMHSA-N 0 0 182.223 1.318 10 0 ADAERN Cc1nccnc1-c1coc(=S)[nH]1 235834820 344768553 /nfs/dbraw/zinc/76/85/53/344768553.db2.gz KJKRUPDGUCXHMW-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN Cc1nccnc1-c1csc(N)n1 235835654 344768562 /nfs/dbraw/zinc/76/85/62/344768562.db2.gz YOMOAHJUCSIUQS-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CN1C(=S)N=NC1[C@H]1CC1(C)C 236085811 344772960 /nfs/dbraw/zinc/77/29/60/344772960.db2.gz OFLZBLFZOOECSE-RXMQYKEDSA-N 0 0 183.280 1.617 10 0 ADAERN Cn1ncc(Cl)c1[C@H](N)C(F)F 236086108 344772964 /nfs/dbraw/zinc/77/29/64/344772964.db2.gz YWQCMECYRZSOLQ-BYPYZUCNSA-N 0 0 195.600 1.338 10 0 ADAERN Cn1ccc(C(=O)[C@H]2CC2(C)C)n1 236086946 344772983 /nfs/dbraw/zinc/77/29/83/344772983.db2.gz FTQFFKOUNVUXTB-SSDOTTSWSA-N 0 0 178.235 1.649 10 0 ADAERN Cn1ccc2c(C(N)=S)cccc21 236081206 344773014 /nfs/dbraw/zinc/77/30/14/344773014.db2.gz VMIXEAPWSSMRIK-UHFFFAOYSA-N 0 0 190.271 1.813 10 0 ADAERN Cn1nccc1C1=NC(=S)SC1 236092983 344773458 /nfs/dbraw/zinc/77/34/58/344773458.db2.gz RYKGMKKWVPGDIY-UHFFFAOYSA-N 0 0 197.288 1.832 10 0 ADAERN Cn1nc([C@H]2CC2(C)C)[nH]c1=S 236091806 344773461 /nfs/dbraw/zinc/77/34/61/344773461.db2.gz ASKFTUIBBKJEMV-RXMQYKEDSA-N 0 0 183.280 1.617 10 0 ADAERN Cn1cnc([C@@H](N)c2ccoc2)c1 236095390 344773526 /nfs/dbraw/zinc/77/35/26/344773526.db2.gz XNLGTYRUCRUYNH-VIFPVBQESA-N 0 0 177.207 1.061 10 0 ADAERN Cn1cnc([C@@H](N)c2ccco2)c1 236095299 344773536 /nfs/dbraw/zinc/77/35/36/344773536.db2.gz WKNGXRVJBPYDBD-SECBINFHSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1cc(-c2cnc[nH]c2=S)cn1 236101946 344773972 /nfs/dbraw/zinc/77/39/72/344773972.db2.gz BLXDEHMYLVQELR-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc(-c2ncc[nH]c2=S)cn1 236102651 344774031 /nfs/dbraw/zinc/77/40/31/344774031.db2.gz RMDUVUGPNRVPLN-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc(C(=O)[C@@H]2CC2(C)C)cn1 236100439 344774112 /nfs/dbraw/zinc/77/41/12/344774112.db2.gz RZJVXRFYKYHMMQ-QMMMGPOBSA-N 0 0 178.235 1.649 10 0 ADAERN Cn1cncc1-c1nccc(=S)[nH]1 236100065 344774144 /nfs/dbraw/zinc/77/41/44/344774144.db2.gz ZRIJWCVQQHMIIH-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1ccc(-c2nccc(=S)[nH]2)n1 236114949 344774328 /nfs/dbraw/zinc/77/43/28/344774328.db2.gz UGXNATUETPQLJA-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1ccc(-c2ccoc2C=O)n1 236114224 344774329 /nfs/dbraw/zinc/77/43/29/344774329.db2.gz FEPOICCRBLDILS-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN O=C1CCOC[C@@H]1CCC(F)(F)F 236117045 344774365 /nfs/dbraw/zinc/77/43/65/344774365.db2.gz FJXATHKUALBKQG-LURJTMIESA-N 0 0 196.168 1.935 10 0 ADAERN Cn1ccc(C(=O)[C@@H]2CC2(C)C)n1 236120134 344774731 /nfs/dbraw/zinc/77/47/31/344774731.db2.gz FTQFFKOUNVUXTB-ZETCQYMHSA-N 0 0 178.235 1.649 10 0 ADAERN O=Cc1cn(C(F)F)cn1 236140595 344775305 /nfs/dbraw/zinc/77/53/05/344775305.db2.gz DYSXYUNRVLJFPJ-UHFFFAOYSA-N 0 0 146.096 1.091 10 0 ADAERN O=C(c1cc[nH]c1)C(F)F 236146572 344775326 /nfs/dbraw/zinc/77/53/26/344775326.db2.gz KMPHWHGPBJJGJC-UHFFFAOYSA-N 0 0 145.108 1.463 10 0 ADAERN O=C(c1ccc[nH]1)C(F)F 236146761 344775346 /nfs/dbraw/zinc/77/53/46/344775346.db2.gz SDIJAUYXJIONAU-UHFFFAOYSA-N 0 0 145.108 1.463 10 0 ADAERN O=C(NCc1cncs1)C(F)F 236137171 344775349 /nfs/dbraw/zinc/77/53/49/344775349.db2.gz WAIWBWNAQIMDHS-UHFFFAOYSA-N 0 0 192.190 1.024 10 0 ADAERN N#CNC1Cc2ccccc2C1 236156091 344775891 /nfs/dbraw/zinc/77/58/91/344775891.db2.gz XXRQLLVOEMFGKD-UHFFFAOYSA-N 0 0 158.204 1.224 10 0 ADAERN NCc1nnc(-c2cncs2)s1 236174255 344776242 /nfs/dbraw/zinc/77/62/42/344776242.db2.gz FUGDITDBDJMXIZ-UHFFFAOYSA-N 0 0 198.276 1.120 10 0 ADAERN O=C1CCOC[C@@H]1CCCF 236171191 344776254 /nfs/dbraw/zinc/77/62/54/344776254.db2.gz DWNNTKUCOQCWTP-ZETCQYMHSA-N 0 0 160.188 1.342 10 0 ADAERN O=C1CCOC[C@H]1CCCF 236171052 344776259 /nfs/dbraw/zinc/77/62/59/344776259.db2.gz DWNNTKUCOQCWTP-SSDOTTSWSA-N 0 0 160.188 1.342 10 0 ADAERN NN[C@@H](C1=CCCCC1)[C@@H]1CCCO1 236171374 344776270 /nfs/dbraw/zinc/77/62/70/344776270.db2.gz LBJCJXAVVJOFSR-QWRGUYRKSA-N 0 0 196.294 1.498 10 0 ADAERN Cn1cnc(Oc2cccc(F)n2)n1 236172024 344776336 /nfs/dbraw/zinc/77/63/36/344776336.db2.gz ZEFZXXKINAZKHA-UHFFFAOYSA-N 0 0 194.169 1.142 10 0 ADAERN NCc1nnc(-c2ccc(Cl)o2)o1 236170947 344776365 /nfs/dbraw/zinc/77/63/65/344776365.db2.gz OOBJPWTUTYWFAJ-UHFFFAOYSA-N 0 0 199.597 1.442 10 0 ADAERN N#CNC(=O)c1ccc(Cl)c(F)c1 236176658 344776667 /nfs/dbraw/zinc/77/66/67/344776667.db2.gz DDBZFEXAAGLPPV-UHFFFAOYSA-N 0 0 198.584 1.690 10 0 ADAERN NCc1noc(-c2ccc(Cl)o2)n1 236177266 344776686 /nfs/dbraw/zinc/77/66/86/344776686.db2.gz PFAFBTXFTJXRGL-UHFFFAOYSA-N 0 0 199.597 1.442 10 0 ADAERN NNCC1=CCCCCCC1 236191974 344776998 /nfs/dbraw/zinc/77/69/98/344776998.db2.gz XNEXOCNRAMAOES-UHFFFAOYSA-N 0 0 154.257 1.730 10 0 ADAERN Cn1ccnc1-c1ccoc1C=O 236078762 344772557 /nfs/dbraw/zinc/77/25/57/344772557.db2.gz MWVLVNROXXGFGM-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN NN[C@H](c1ccc(Cl)o1)C1CC1 236268191 344778788 /nfs/dbraw/zinc/77/87/88/344778788.db2.gz ZGOFRLCDZXHSPD-QMMMGPOBSA-N 0 0 186.642 1.847 10 0 ADAERN NC(=O)C1(Nc2cccc(F)c2)CC1 236271148 344779274 /nfs/dbraw/zinc/77/92/74/344779274.db2.gz QQPUBLJKXMACMF-UHFFFAOYSA-N 0 0 194.209 1.256 10 0 ADAERN Nc1cc(NCC(F)(F)F)sn1 236341739 344781734 /nfs/dbraw/zinc/78/17/34/344781734.db2.gz CALWMJLKZGMPMS-UHFFFAOYSA-N 0 0 197.185 1.700 10 0 ADAERN Nc1cccnc1Sc1ncco1 236348920 344782270 /nfs/dbraw/zinc/78/22/70/344782270.db2.gz SYTIMKCCRFOCKE-UHFFFAOYSA-N 0 0 193.231 1.803 10 0 ADAERN Nc1cc(-c2ccsc2)nc(N)n1 236358466 344782635 /nfs/dbraw/zinc/78/26/35/344782635.db2.gz POPYYMYAYFHCCA-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1cc(NC[C@H]2CCCO2)sn1 236363386 344782760 /nfs/dbraw/zinc/78/27/60/344782760.db2.gz AIDQQAINKNBRDX-ZCFIWIBFSA-N 0 0 199.279 1.316 10 0 ADAERN Nc1ncnc(-c2ccc[nH]2)c1Cl 236367997 344783261 /nfs/dbraw/zinc/78/32/61/344783261.db2.gz DSSGGQCUERDXRB-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1ccc(-c2nc[nH]n2)c(F)c1 236377312 344783485 /nfs/dbraw/zinc/78/34/85/344783485.db2.gz PNZFLMJRAVVYCW-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN Nc1nccc(Sc2ncco2)n1 236386899 344783750 /nfs/dbraw/zinc/78/37/50/344783750.db2.gz LDKMLPDRNUYNRD-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN O=C1CCOC[C@H]1C[C@H]1CCCCO1 236414219 344785203 /nfs/dbraw/zinc/78/52/03/344785203.db2.gz ZAFCQVYNKMDIDW-NXEZZACHSA-N 0 0 198.262 1.551 10 0 ADAERN O=C1C=CC(=O)N1CC1(C2CC2)CC1 236419599 344785682 /nfs/dbraw/zinc/78/56/82/344785682.db2.gz WEVDRAREJNLWQP-UHFFFAOYSA-N 0 0 191.230 1.102 10 0 ADAERN NC(=O)Nc1ccc(NC2CC2)cc1 236196807 344777381 /nfs/dbraw/zinc/77/73/81/344777381.db2.gz KAHHKOBLJDCBHW-UHFFFAOYSA-N 0 0 191.234 1.752 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)c1cccc(F)c1 236523444 344787636 /nfs/dbraw/zinc/78/76/36/344787636.db2.gz QCIRNELJFOMSER-WDEREUQCSA-N 0 0 196.221 1.630 10 0 ADAERN O[C@H]1CC[C@@H](CNc2cc[nH+]cc2)C1 236567632 344789177 /nfs/dbraw/zinc/78/91/77/344789177.db2.gz JEUKGGZFJGUNEA-KOLCDFICSA-N 0 0 192.262 1.655 10 0 ADAERN S=c1[nH]ccnc1-c1cccnc1 236640525 344790443 /nfs/dbraw/zinc/79/04/43/344790443.db2.gz VRNXBJWTIXOLDW-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN C/C(=C\CO)OCC(C)(C)C 238053294 344792216 /nfs/dbraw/zinc/79/22/16/344792216.db2.gz AHEGDSQKVGDBHA-VMPITWQZSA-N 0 0 158.241 1.945 10 0 ADAERN Cc1nc(Cl)nc(NC(C)C)n1 238165748 344794702 /nfs/dbraw/zinc/79/47/02/344794702.db2.gz WTJLEHFWXMUASQ-UHFFFAOYSA-N 0 0 186.646 1.654 10 0 ADAERN Cc1cc(C=O)nn1CC(C)C 238193453 344795240 /nfs/dbraw/zinc/79/52/40/344795240.db2.gz HOYDPKKXLKXTDF-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1c1ccco1 238191418 344795321 /nfs/dbraw/zinc/79/53/21/344795321.db2.gz JDVFYBWPWPSWAJ-BDAKNGLRSA-N 0 0 179.219 1.723 10 0 ADAERN CCC1=Nc2ccccc2CC(=O)N1 238202889 344795773 /nfs/dbraw/zinc/79/57/73/344795773.db2.gz OORATMVLPXJNQJ-UHFFFAOYSA-N 0 0 188.230 1.799 10 0 ADAERN O=C([O-])[C@@]1(C/C=C/Cl)CC[NH2+]C1 236456357 344786219 /nfs/dbraw/zinc/78/62/19/344786219.db2.gz PUORETSOXMHTAI-WTJMVXMFSA-N 0 0 189.642 1.193 10 0 ADAERN OCc1ccc(NC2CC2)cc1 236502312 344787087 /nfs/dbraw/zinc/78/70/87/344787087.db2.gz HKXWCPWSKQHJKQ-UHFFFAOYSA-N 0 0 163.220 1.753 10 0 ADAERN CC[C@H](C)[C@@H]1NC(=O)C1(C)C 238300850 344799533 /nfs/dbraw/zinc/79/95/33/344799533.db2.gz OETRWZDWPSVDKG-BQBZGAKWSA-N 0 0 155.241 1.557 10 0 ADAERN CCO[C@H]1C[C@@H]1C(C)=O 238296807 344799541 /nfs/dbraw/zinc/79/95/41/344799541.db2.gz XOBNPFBPDSZRDM-RQJHMYQMSA-N 0 0 128.171 1.000 10 0 ADAERN CCOC(=O)c1c(C)[nH]c(C)c1O 238297846 344799545 /nfs/dbraw/zinc/79/95/45/344799545.db2.gz KLXGAGNTHMHBNF-UHFFFAOYSA-N 0 0 183.207 1.514 10 0 ADAERN CCOC(=O)c1c(C)ccc(N)c1O 238298937 344799548 /nfs/dbraw/zinc/79/95/48/344799548.db2.gz SATKFEAWSPRKTK-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CC[C@H](C)[C@@H]1NC(=O)[C@@H]1C(C)C 238301042 344799558 /nfs/dbraw/zinc/79/95/58/344799558.db2.gz ANKXEFYATKETGG-YIZRAAEISA-N 0 0 169.268 1.803 10 0 ADAERN CCC1=C(O)[C@H]([C@@H](C)CC)NC1=O 238300843 344799562 /nfs/dbraw/zinc/79/95/62/344799562.db2.gz ILNGOKMFQZEILU-XPUUQOCRSA-N 0 0 183.251 1.753 10 0 ADAERN CNC(=O)[C@H](C)c1ccc(N)cc1 238322784 344800611 /nfs/dbraw/zinc/80/06/11/344800611.db2.gz XXHVYJDPWDWEFB-SSDOTTSWSA-N 0 0 178.235 1.118 10 0 ADAERN CNc1ncc(-c2cnccn2)s1 238327724 344800872 /nfs/dbraw/zinc/80/08/72/344800872.db2.gz YKBHHUGYMMHKGV-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN COC(=O)c1c(F)cc(N)cc1OC 238326592 344800875 /nfs/dbraw/zinc/80/08/75/344800875.db2.gz AWNBQUZDHFUJRN-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN CN1C(=O)[C@H](O)c2ccc(Cl)cc21 238323950 344800880 /nfs/dbraw/zinc/80/08/80/344800880.db2.gz BAOVZPJULCKRJV-MRVPVSSYSA-N 0 0 197.621 1.350 10 0 ADAERN COC(=O)c1ccnc(F)c1OC 238323588 344800896 /nfs/dbraw/zinc/80/08/96/344800896.db2.gz IFWAHYNBXQVBMN-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COc1ccc2c(c1)[C@@](C)(CO)CN2 238351733 344802709 /nfs/dbraw/zinc/80/27/09/344802709.db2.gz SBIWLHOPTCTATQ-LLVKDONJSA-N 0 0 193.246 1.371 10 0 ADAERN COc1ccc(F)nc1C=O 238355020 344802711 /nfs/dbraw/zinc/80/27/11/344802711.db2.gz BWRHTTLKZHAWFJ-UHFFFAOYSA-N 0 0 155.128 1.042 10 0 ADAERN COC(=O)c1cc(C)c(N)cc1O 238349970 344802754 /nfs/dbraw/zinc/80/27/54/344802754.db2.gz OOQUEHIPFCMNPH-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COCCNc1cc(C)c(C)cc1N 238350818 344802816 /nfs/dbraw/zinc/80/28/16/344802816.db2.gz KXBIOJKWVMGVRB-UHFFFAOYSA-N 0 0 194.278 1.944 10 0 ADAERN COC(=O)c1ncc(C)cc1Cl 238358401 344803228 /nfs/dbraw/zinc/80/32/28/344803228.db2.gz XPGLUBNEWVJOHO-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN COc1cc(F)ncc1C=O 238360462 344803231 /nfs/dbraw/zinc/80/32/31/344803231.db2.gz AQHRKSZVNSEWSJ-UHFFFAOYSA-N 0 0 155.128 1.042 10 0 ADAERN COc1cc(F)nc(OC)c1 238360287 344803233 /nfs/dbraw/zinc/80/32/33/344803233.db2.gz DEWXNBPSXSXJKD-UHFFFAOYSA-N 0 0 157.144 1.238 10 0 ADAERN CCOC(=O)[C@H](O)c1ccc(C)o1 238259419 344797215 /nfs/dbraw/zinc/79/72/15/344797215.db2.gz DTVSUFNJGFBJRS-MRVPVSSYSA-N 0 0 184.191 1.185 10 0 ADAERN CCOC(=O)Cc1ccc(C)cc1O 238259282 344797296 /nfs/dbraw/zinc/79/72/96/344797296.db2.gz KVBAZHFYLFVVTA-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN CCOC(=O)c1cc(C)cnc1F 238254690 344797496 /nfs/dbraw/zinc/79/74/96/344797496.db2.gz GKKLICQMYAMQBY-UHFFFAOYSA-N 0 0 183.182 1.706 10 0 ADAERN CC[C@@H](C)OCSCCO 238259932 344797730 /nfs/dbraw/zinc/79/77/30/344797730.db2.gz JSURQUUAHGZZIN-SSDOTTSWSA-N 0 0 164.270 1.485 10 0 ADAERN CCOC(=O)Cc1cccc(C)c1N 238260624 344797732 /nfs/dbraw/zinc/79/77/32/344797732.db2.gz ZWWDXEFAJZPKLJ-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN CCOc1ccccc1-c1nc[nH]n1 238260038 344797735 /nfs/dbraw/zinc/79/77/35/344797735.db2.gz PVYPDKWQWNAGPP-UHFFFAOYSA-N 0 0 189.218 1.870 10 0 ADAERN CCOC(=O)c1cnc(C)c(OC)c1 238271878 344797963 /nfs/dbraw/zinc/79/79/63/344797963.db2.gz RGBIKTIRYSMQRF-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCOC(=O)c1cccc(O)c1OC 238266406 344798072 /nfs/dbraw/zinc/79/80/72/344798072.db2.gz NZMYDHMXPDOGJL-UHFFFAOYSA-N 0 0 196.202 1.578 10 0 ADAERN CCOc1cc(F)c(F)cc1CO 238266461 344798161 /nfs/dbraw/zinc/79/81/61/344798161.db2.gz RJRFSTWMYJHWGK-UHFFFAOYSA-N 0 0 188.173 1.856 10 0 ADAERN CCOC(=O)[C@@]1(C)C(=O)CCC[C@@H]1C 238285734 344799114 /nfs/dbraw/zinc/79/91/14/344799114.db2.gz JCUIWGIIRBLNAM-GZMMTYOYSA-N 0 0 198.262 1.945 10 0 ADAERN CC[C@@]1(CO)Cc2ccccc2C1=O 238292047 344799159 /nfs/dbraw/zinc/79/91/59/344799159.db2.gz ZVBVYWFVAGEBDI-LBPRGKRZSA-N 0 0 190.242 1.814 10 0 ADAERN CCOC(=O)c1n[nH]c2c1[C@@H](C)CC2 238297651 344799526 /nfs/dbraw/zinc/79/95/26/344799526.db2.gz ZEBXMQSMHXKAOP-LURJTMIESA-N 0 0 194.234 1.636 10 0 ADAERN CCOC(=O)c1c(C)ccnc1F 238299167 344799529 /nfs/dbraw/zinc/79/95/29/344799529.db2.gz UUSDURRZADVZDS-UHFFFAOYSA-N 0 0 183.182 1.706 10 0 ADAERN CSCc1cnns1 238378777 344803837 /nfs/dbraw/zinc/80/38/37/344803837.db2.gz ZFTCVNDMTFXXGA-UHFFFAOYSA-N 0 0 146.240 1.401 10 0 ADAERN COc1cccc(F)c1[C@H](N)CF 238375942 344803846 /nfs/dbraw/zinc/80/38/46/344803846.db2.gz ASJXHXHWXXMZQX-SSDOTTSWSA-N 0 0 187.189 1.804 10 0 ADAERN COC(=O)c1cc(OC)cc(F)n1 238375150 344803865 /nfs/dbraw/zinc/80/38/65/344803865.db2.gz HUMDUQNNHXWJHB-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COC(=O)c1cc(OC)c(C)cn1 238374467 344803868 /nfs/dbraw/zinc/80/38/68/344803868.db2.gz SYSYNCTXLYBABX-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN COc1cccc(F)c1[C@@H](N)CF 238375572 344803883 /nfs/dbraw/zinc/80/38/83/344803883.db2.gz ASJXHXHWXXMZQX-ZETCQYMHSA-N 0 0 187.189 1.804 10 0 ADAERN COc1nc(N)c2sccc2n1 238378643 344803886 /nfs/dbraw/zinc/80/38/86/344803886.db2.gz LZBYFYWYUWFNFR-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN COc1cnc2ncnc(Cl)c2c1 238375051 344803934 /nfs/dbraw/zinc/80/39/34/344803934.db2.gz JQDNGWPNYVBORB-UHFFFAOYSA-N 0 0 195.609 1.687 10 0 ADAERN COC(=O)c1cc(OC)cnc1F 238375761 344803990 /nfs/dbraw/zinc/80/39/90/344803990.db2.gz KQKAURSPIPOEJZ-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COc1ccc(OC(F)(F)F)cn1 238384745 344804221 /nfs/dbraw/zinc/80/42/21/344804221.db2.gz XHZPMCRXYSRVMD-UHFFFAOYSA-N 0 0 193.124 1.989 10 0 ADAERN COc1cccc(OC(F)(F)F)n1 238383452 344804222 /nfs/dbraw/zinc/80/42/22/344804222.db2.gz DRRXLDGTTNRYTQ-UHFFFAOYSA-N 0 0 193.124 1.989 10 0 ADAERN COc1ccnc(C=O)c1F 238383657 344804223 /nfs/dbraw/zinc/80/42/23/344804223.db2.gz URYVCBXAJUPSQU-UHFFFAOYSA-N 0 0 155.128 1.042 10 0 ADAERN COC(=O)Cc1c(C)cccc1OC 238381281 344804234 /nfs/dbraw/zinc/80/42/34/344804234.db2.gz KFXPQAMIGNZHLH-UHFFFAOYSA-N 0 0 194.230 1.719 10 0 ADAERN COC(=O)Cc1c(C)cncc1Cl 238381422 344804246 /nfs/dbraw/zinc/80/42/46/344804246.db2.gz FOPIPKXRPPFUAJ-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COc1ccnc(C=O)c1Cl 238383630 344804247 /nfs/dbraw/zinc/80/42/47/344804247.db2.gz MLSYTOHZBSKUTR-UHFFFAOYSA-N 0 0 171.583 1.556 10 0 ADAERN C[C@@H](CO)c1ccccc1CO 238382560 344804250 /nfs/dbraw/zinc/80/42/50/344804250.db2.gz IINHJCSMYPKHGS-QMMMGPOBSA-N 0 0 166.220 1.275 10 0 ADAERN COc1cccc(OC(F)F)c1N 238383636 344804252 /nfs/dbraw/zinc/80/42/52/344804252.db2.gz MCWANJFBQDBLTH-UHFFFAOYSA-N 0 0 189.161 1.879 10 0 ADAERN COC(=O)Cc1c(O)cccc1F 238382995 344804271 /nfs/dbraw/zinc/80/42/71/344804271.db2.gz UAQRIUTYDSLSLU-UHFFFAOYSA-N 0 0 184.166 1.247 10 0 ADAERN COc1ccc(=O)[nH]c1Cl 238383483 344804274 /nfs/dbraw/zinc/80/42/74/344804274.db2.gz CIPKUSOMQDZINY-UHFFFAOYSA-N 0 0 159.572 1.449 10 0 ADAERN COC(=O)Cc1cccc2cc[nH]c12 238395919 344805148 /nfs/dbraw/zinc/80/51/48/344805148.db2.gz HNUXYUHPCYNOJS-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN COc1cc(O)cc(C(C)=O)c1N 238393892 344805151 /nfs/dbraw/zinc/80/51/51/344805151.db2.gz DJPQNSGIWBMLIB-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1cnc(C(F)(F)F)c(O)c1 238392248 344805153 /nfs/dbraw/zinc/80/51/53/344805153.db2.gz KBNBVLULJZKTNW-UHFFFAOYSA-N 0 0 193.124 1.815 10 0 ADAERN COC(=O)c1ccc(N)c(C)c1OC 238392371 344805156 /nfs/dbraw/zinc/80/51/56/344805156.db2.gz QIXFOHPTKFMTSM-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COC(=O)c1ccc(O)c(OC)c1C 238395327 344805157 /nfs/dbraw/zinc/80/51/57/344805157.db2.gz KHZSLAIEYNRNQS-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN CO[C@H]1CCc2ccccc2NC1=O 238396893 344805479 /nfs/dbraw/zinc/80/54/79/344805479.db2.gz BUSDAVCWWWECEE-JTQLQIEISA-N 0 0 191.230 1.586 10 0 ADAERN COC(=O)Cc1ccnc(Cl)c1C 238396757 344805485 /nfs/dbraw/zinc/80/54/85/344805485.db2.gz AXZCAQXBCUUKSR-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COc1cc(Cl)cc(N)c1N 238418097 344806162 /nfs/dbraw/zinc/80/61/62/344806162.db2.gz LMUFPRWQINDUQI-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN C[C@H](O)CC1(C)CC1 238426911 344806199 /nfs/dbraw/zinc/80/61/99/344806199.db2.gz BOHVBXCXLRBDSD-LURJTMIESA-N 0 0 114.188 1.557 10 0 ADAERN COc1nccc(F)c1C 238425661 344806202 /nfs/dbraw/zinc/80/62/02/344806202.db2.gz VHFPZIYKASQKCZ-UHFFFAOYSA-N 0 0 141.145 1.538 10 0 ADAERN CC(=O)C[C@H]1C(=O)CCC[C@H]1C 238443823 344807183 /nfs/dbraw/zinc/80/71/83/344807183.db2.gz KRYMSUNICBBKIJ-VXNVDRBHSA-N 0 0 168.236 1.971 10 0 ADAERN C[C@H](O)c1n[nH]c2ccccc12 238444835 344807195 /nfs/dbraw/zinc/80/71/95/344807195.db2.gz FINUIWMDVXUDSX-LURJTMIESA-N 0 0 162.192 1.616 10 0 ADAERN Cc1cc(N)cc(C(F)F)n1 238446869 344807204 /nfs/dbraw/zinc/80/72/04/344807204.db2.gz XLDLVJDEYASLNN-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN Cc1cc(N)cc(OC(F)(F)F)n1 238447994 344807211 /nfs/dbraw/zinc/80/72/11/344807211.db2.gz NYJMCLGPSRTCTK-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1cc(N)ncc1OC(F)(F)F 238457242 344807578 /nfs/dbraw/zinc/80/75/78/344807578.db2.gz BMSPGOXVNWVBPT-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN C[C@H]1c2ccccc2C(=O)[C@H]1[NH3+] 238459595 344807595 /nfs/dbraw/zinc/80/75/95/344807595.db2.gz UDUPLCVHYOVVFU-RCOVLWMOSA-N 0 0 161.204 1.314 10 0 ADAERN C[C@H]1CN(Cl)[C@@H](C)CN1Cl 238465838 344807748 /nfs/dbraw/zinc/80/77/48/344807748.db2.gz IVRLPPGKJJZQJZ-WDSKDSINSA-N 0 0 183.082 1.689 10 0 ADAERN C[C@@H]1CCCC[C@@]12CC(=O)CO2 238462141 344807940 /nfs/dbraw/zinc/80/79/40/344807940.db2.gz DLLKNVCNCWSDAA-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1ccc(OC(F)(F)F)[nH]c1=O 238463937 344807973 /nfs/dbraw/zinc/80/79/73/344807973.db2.gz MKSWJTPILUIDLS-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1ccsc1[C@@H]1COCC(=O)N1 238486750 344808896 /nfs/dbraw/zinc/80/88/96/344808896.db2.gz XVOUOVXICFHIKA-ZETCQYMHSA-N 0 0 197.259 1.244 10 0 ADAERN Cc1ccccc1[C@@H]1CC(=O)N1CO 238489724 344808898 /nfs/dbraw/zinc/80/88/98/344808898.db2.gz FOSXYFYMZWMECD-JTQLQIEISA-N 0 0 191.230 1.218 10 0 ADAERN Cc1ccc2c(c1)[C@@](C)(CO)CN2 238498857 344809717 /nfs/dbraw/zinc/80/97/17/344809717.db2.gz LOQSISFZEYIBKJ-LLVKDONJSA-N 0 0 177.247 1.671 10 0 ADAERN Cc1cc(OC(F)(F)F)ncc1O 238497064 344809722 /nfs/dbraw/zinc/80/97/22/344809722.db2.gz XLPGCLDQSFXQCA-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN C[C@@]1(c2ccccc2)CC(=O)CO1 238501175 344809759 /nfs/dbraw/zinc/80/97/59/344809759.db2.gz FCIPHTYBQUCTSM-NSHDSACASA-N 0 0 176.215 1.891 10 0 ADAERN Clc1noc(-c2cnccn2)n1 238499805 344809761 /nfs/dbraw/zinc/80/97/61/344809761.db2.gz KZOXDZVVAGQQAM-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN Cc1cc(OC(F)(F)F)ncc1N 238497025 344809797 /nfs/dbraw/zinc/80/97/97/344809797.db2.gz MFOVCWAYZIZZTK-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN O=C1C[C@@H](c2ccncc2Cl)CN1 238513253 344810211 /nfs/dbraw/zinc/81/02/11/344810211.db2.gz SBUZPMIKAVRFSD-ZCFIWIBFSA-N 0 0 196.637 1.339 10 0 ADAERN Clc1ccc([C@H]2CO2)nc1 238522490 344810575 /nfs/dbraw/zinc/81/05/75/344810575.db2.gz HSTAMYJAAYLYER-SSDOTTSWSA-N 0 0 155.584 1.806 10 0 ADAERN Cc1cccc(C=C=C(CO)CO)c1 238516555 344810576 /nfs/dbraw/zinc/81/05/76/344810576.db2.gz YYEXJQWSMLXDIA-UHFFFAOYSA-N 0 0 190.242 1.518 10 0 ADAERN C[C@H]1C[C@H](C)C(=O)CCCC1=O 238520957 344810595 /nfs/dbraw/zinc/81/05/95/344810595.db2.gz OYWYQDBFTYNACS-YUMQZZPRSA-N 0 0 168.236 1.971 10 0 ADAERN O=C1CC[C@@H]2[C@H]1C2(Cl)Cl 238515759 344810599 /nfs/dbraw/zinc/81/05/99/344810599.db2.gz FZPNZXJETAMAEC-NQXXGFSBSA-N 0 0 165.019 1.769 10 0 ADAERN Clc1ccc([C@@H]2CO2)nc1 238518562 344810621 /nfs/dbraw/zinc/81/06/21/344810621.db2.gz HSTAMYJAAYLYER-ZETCQYMHSA-N 0 0 155.584 1.806 10 0 ADAERN Cn1ccnc1-c1csc(C=O)n1 238523678 344810782 /nfs/dbraw/zinc/81/07/82/344810782.db2.gz HKBORTUDRVJIIF-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1cnc(F)cc1CO 238526600 344811004 /nfs/dbraw/zinc/81/10/04/344811004.db2.gz GTJYEKURZBGBDS-UHFFFAOYSA-N 0 0 141.145 1.021 10 0 ADAERN Clc1ncnc(Br)n1 238525695 344811010 /nfs/dbraw/zinc/81/10/10/344811010.db2.gz WFBUGAHZGLBJEC-UHFFFAOYSA-N 0 0 194.419 1.288 10 0 ADAERN O=Cc1cnccc1OC(F)(F)F 238538988 344811454 /nfs/dbraw/zinc/81/14/54/344811454.db2.gz QGZABMJPBMDJLO-UHFFFAOYSA-N 0 0 191.108 1.793 10 0 ADAERN Cc1c[nH]c(=O)cc1OC(F)(F)F 238534814 344811458 /nfs/dbraw/zinc/81/14/58/344811458.db2.gz BLQSSTBSNRCSJN-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cc(F)ncc1F 238539571 344811735 /nfs/dbraw/zinc/81/17/35/344811735.db2.gz IDSNCHCWQNVIJJ-UHFFFAOYSA-N 0 0 129.109 1.668 10 0 ADAERN Cc1cncc(O)c1OC(F)(F)F 238542407 344811924 /nfs/dbraw/zinc/81/19/24/344811924.db2.gz UPOMEWKFBRYMFP-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1c(O)cncc1OC(F)(F)F 238545338 344812142 /nfs/dbraw/zinc/81/21/42/344812142.db2.gz ZSBFUDRAKAPFNC-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1nc2c(c(C)c1O)CCC(=O)N2 238540955 344812162 /nfs/dbraw/zinc/81/21/62/344812162.db2.gz BCBUXMQKSAEESR-UHFFFAOYSA-N 0 0 192.218 1.289 10 0 ADAERN Fc1cnc2c(c1)NCCO2 238550420 344812502 /nfs/dbraw/zinc/81/25/02/344812502.db2.gz WZEDOJDXFVJZBR-UHFFFAOYSA-N 0 0 154.144 1.025 10 0 ADAERN Nc1c(F)ccnc1C(F)F 238570343 344813307 /nfs/dbraw/zinc/81/33/07/344813307.db2.gz CZCGJALGWQRKFE-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1c(F)cncc1C(F)F 238571333 344813314 /nfs/dbraw/zinc/81/33/14/344813314.db2.gz CDMMXNIRXNIDQK-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1c(F)ccc2[nH]cnc12 238568317 344813317 /nfs/dbraw/zinc/81/33/17/344813317.db2.gz LRQNJBBSPSAFHM-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Cc1nc([C@@H](O)C(F)(F)F)[nH]c1C 238566928 344813332 /nfs/dbraw/zinc/81/33/32/344813332.db2.gz VPUDJNSHDWNQFS-RXMQYKEDSA-N 0 0 194.156 1.622 10 0 ADAERN Nc1c(F)ccnc1Br 238570299 344813406 /nfs/dbraw/zinc/81/34/06/344813406.db2.gz AAMDVDGIZJJOFO-UHFFFAOYSA-N 0 0 191.003 1.565 10 0 ADAERN Clc1nccc(OC2CC2)n1 238572954 344813808 /nfs/dbraw/zinc/81/38/08/344813808.db2.gz OTKWOGTWNBVDMN-UHFFFAOYSA-N 0 0 170.599 1.671 10 0 ADAERN [NH3+][C@@H](CF)c1ccccc1C(=O)[O-] 238575236 344813814 /nfs/dbraw/zinc/81/38/14/344813814.db2.gz BVSYADDXDLRRLY-QMMMGPOBSA-N 0 0 183.182 1.354 10 0 ADAERN Fc1ccnc2ncnc(Cl)c12 238574602 344813942 /nfs/dbraw/zinc/81/39/42/344813942.db2.gz WODCLHHRTXMGAE-UHFFFAOYSA-N 0 0 183.573 1.817 10 0 ADAERN Nc1ccc2sc3nncn3c2c1 238584442 344814331 /nfs/dbraw/zinc/81/43/31/344814331.db2.gz MCTJQQHICMZFQI-UHFFFAOYSA-N 0 0 190.231 1.526 10 0 ADAERN Nc1cnc(C(F)F)cc1F 238582952 344814351 /nfs/dbraw/zinc/81/43/51/344814351.db2.gz HPMALGXXOBLRJU-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN NC(=S)Nc1ccc(F)c(O)c1 238577907 344814374 /nfs/dbraw/zinc/81/43/74/344814374.db2.gz PDPHPWSVXXJFNI-UHFFFAOYSA-N 0 0 186.211 1.187 10 0 ADAERN Nc1ccc(C(F)F)c(F)n1 238581979 344814379 /nfs/dbraw/zinc/81/43/79/344814379.db2.gz VTFFXAWIBOEKBS-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Cc1cc(OC(F)(F)F)[nH]c(=O)c1 238488217 344809030 /nfs/dbraw/zinc/80/90/30/344809030.db2.gz ODXAFBHOUFNIQK-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cc(=O)[nH]cc1OC(F)(F)F 238489183 344809032 /nfs/dbraw/zinc/80/90/32/344809032.db2.gz GODHIMDXSMIOBL-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1ccc([C@](C)(O)CCCO)o1 238493670 344809277 /nfs/dbraw/zinc/80/92/77/344809277.db2.gz UHTWIAWHVYTYFS-SNVBAGLBSA-N 0 0 184.235 1.568 10 0 ADAERN Nc1cc(CO)c2ccccc2c1 238593036 344814838 /nfs/dbraw/zinc/81/48/38/344814838.db2.gz LKABHNFTIKVHMR-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN Nc1c[nH]cc(OC(F)(F)F)c1=O 238607007 344815296 /nfs/dbraw/zinc/81/52/96/344815296.db2.gz RWWYHTNJTBYBPO-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1cncc(F)c1OC(F)(F)F 238605973 344815313 /nfs/dbraw/zinc/81/53/13/344815313.db2.gz KIDCDPTWUHDZGQ-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1ccc(O)c2cc(O)ccc12 238606434 344815314 /nfs/dbraw/zinc/81/53/14/344815314.db2.gz ONKFQMBRGZCYRY-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN Nc1ccc(OC(F)(F)F)[nH]c1=O 238610356 344815696 /nfs/dbraw/zinc/81/56/96/344815696.db2.gz YWJSJXSMUSRMSA-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O=C1Cc2c(Cl)cccc2CN1 238611532 344815697 /nfs/dbraw/zinc/81/56/97/344815697.db2.gz BHHNISKBYVVCQL-UHFFFAOYSA-N 0 0 181.622 1.512 10 0 ADAERN Nc1ccc(OC(F)(F)F)c(=O)[nH]1 238609508 344815698 /nfs/dbraw/zinc/81/56/98/344815698.db2.gz ROMUKMQUEOFQTB-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1ccc(OC(F)(F)F)nc1N 238610297 344815699 /nfs/dbraw/zinc/81/56/99/344815699.db2.gz KXXAJKAVTYLXLJ-UHFFFAOYSA-N 0 0 193.128 1.145 10 0 ADAERN Nc1ccc(OC(F)(F)F)nc1F 238610237 344815721 /nfs/dbraw/zinc/81/57/21/344815721.db2.gz QLSSBRKWNDVZPV-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1nc2c(F)c(Cl)ccc2[nH]1 238609716 344815722 /nfs/dbraw/zinc/81/57/22/344815722.db2.gz ZFVOLAMYAUBSDY-UHFFFAOYSA-N 0 0 185.589 1.938 10 0 ADAERN Nc1cccc([C@H]2CCC(=O)C2)n1 238633738 344816699 /nfs/dbraw/zinc/81/66/99/344816699.db2.gz AHKSSUYVMFMSNP-ZETCQYMHSA-N 0 0 176.219 1.500 10 0 ADAERN Nc1nc(C(F)F)ccc1F 238639152 344816703 /nfs/dbraw/zinc/81/67/03/344816703.db2.gz HJTDBMNVYJHGFW-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1cc(C(F)F)cnc1F 238635783 344816706 /nfs/dbraw/zinc/81/67/06/344816706.db2.gz MFTWZLRCBKMCRD-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1cccc2c(CO)cccc12 238633751 344816709 /nfs/dbraw/zinc/81/67/09/344816709.db2.gz PVGYHBMPTLQEIV-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN O=C1C[C@H](CC2CCCC2)CN1 238641169 344816729 /nfs/dbraw/zinc/81/67/29/344816729.db2.gz CLVFRARUASPALB-VIFPVBQESA-N 0 0 167.252 1.703 10 0 ADAERN O=C1CCC(=O)c2ccccc2N1 238641854 344816730 /nfs/dbraw/zinc/81/67/30/344816730.db2.gz HJMXCRTVXNMUIR-UHFFFAOYSA-N 0 0 175.187 1.928 10 0 ADAERN Nc1cccc2cccc(CO)c12 238635829 344816731 /nfs/dbraw/zinc/81/67/31/344816731.db2.gz KRSIKTZBNDFBDF-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN Nc1cnc([C@H]2CCCCO2)nc1 238654350 344817053 /nfs/dbraw/zinc/81/70/53/344817053.db2.gz RROZYWUHXKWYJM-MRVPVSSYSA-N 0 0 179.223 1.300 10 0 ADAERN Nc1ccc(N2CCC(F)(F)C2)nc1 238647638 344817073 /nfs/dbraw/zinc/81/70/73/344817073.db2.gz PCWFETVJHMQGLO-UHFFFAOYSA-N 0 0 199.204 1.509 10 0 ADAERN OCc1nc(OC(F)F)ccc1F 238654700 344817086 /nfs/dbraw/zinc/81/70/86/344817086.db2.gz JUHXNJZSYLCWFX-UHFFFAOYSA-N 0 0 193.124 1.314 10 0 ADAERN Nc1ccnc([C@H]2CCCCO2)n1 238647955 344817094 /nfs/dbraw/zinc/81/70/94/344817094.db2.gz XFKGWDFWQFMAQI-SSDOTTSWSA-N 0 0 179.223 1.300 10 0 ADAERN O=C(CCCCO)c1ccccn1 238652639 344817108 /nfs/dbraw/zinc/81/71/08/344817108.db2.gz PNQGALDBALLFCP-UHFFFAOYSA-N 0 0 179.219 1.427 10 0 ADAERN O=C1C/C=C\CC(=O)CCC1 238654637 344817111 /nfs/dbraw/zinc/81/71/11/344817111.db2.gz XHWCDQXNEYQXEP-UPHRSURJSA-N 0 0 152.193 1.645 10 0 ADAERN Nc1ccnc(-c2cncs2)c1 238648941 344817123 /nfs/dbraw/zinc/81/71/23/344817123.db2.gz HNBFHZDCVCRJDB-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN O=c1cc(OC(F)(F)F)[nH]cc1O 238671219 344818079 /nfs/dbraw/zinc/81/80/79/344818079.db2.gz UASXFPOHSVWTSP-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN Nc1cc(Cl)cc2c1OCC2=O 238672315 344818080 /nfs/dbraw/zinc/81/80/80/344818080.db2.gz KTGFRLLOLFNPJN-UHFFFAOYSA-N 0 0 183.594 1.497 10 0 ADAERN [O-]c1coc(Br)n1 238675939 344818085 /nfs/dbraw/zinc/81/80/85/344818085.db2.gz UETIDMTWCSOGBT-UHFFFAOYSA-N 0 0 163.958 1.143 10 0 ADAERN OC[C@H]1CCC(c2ccccc2)=N1 238670393 344818098 /nfs/dbraw/zinc/81/80/98/344818098.db2.gz MRAOXYZYRMYEPV-SNVBAGLBSA-N 0 0 175.231 1.630 10 0 ADAERN Nc1cncc(-c2cncs2)c1 238582126 344814393 /nfs/dbraw/zinc/81/43/93/344814393.db2.gz YPODLJVSDPOUGF-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cc(F)c(C(F)F)cn1 238680282 344818613 /nfs/dbraw/zinc/81/86/13/344818613.db2.gz DRAZUGNZRAVALP-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN [NH3+][C@H]1CCCc2c1ccc(F)c2O 238583380 344814395 /nfs/dbraw/zinc/81/43/95/344814395.db2.gz OPYMLTBWQMXHAB-VIFPVBQESA-N 0 0 181.210 1.867 10 0 ADAERN Fc1cnc(OC(F)(F)F)cn1 238584454 344814398 /nfs/dbraw/zinc/81/43/98/344814398.db2.gz HYSFHSXSDCSKLM-UHFFFAOYSA-N 0 0 182.076 1.514 10 0 ADAERN NOCc1ccc(C(F)(F)F)nc1 238595239 344814836 /nfs/dbraw/zinc/81/48/36/344814836.db2.gz DLXZOAIEYVNWSP-UHFFFAOYSA-N 0 0 192.140 1.491 10 0 ADAERN Oc1cc(OC(F)(F)F)cnc1F 238707816 344820690 /nfs/dbraw/zinc/82/06/90/344820690.db2.gz KKCSYLWPRKINPJ-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O[C@@H]1CCCC12CCC2 238713871 344821196 /nfs/dbraw/zinc/82/11/96/344821196.db2.gz KWQHTHKUFJTZLP-SSDOTTSWSA-N 0 0 126.199 1.702 10 0 ADAERN O=c1ccc(F)c(OC(F)(F)F)[nH]1 238718087 344821678 /nfs/dbraw/zinc/82/16/78/344821678.db2.gz WFRDCJKQORMYRO-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN OCc1cc(F)cnc1OC(F)F 238721863 344821705 /nfs/dbraw/zinc/82/17/05/344821705.db2.gz HKFRAQBEVXTDDK-UHFFFAOYSA-N 0 0 193.124 1.314 10 0 ADAERN OCc1ccc(F)c(OC(F)F)n1 238726291 344822205 /nfs/dbraw/zinc/82/22/05/344822205.db2.gz JIUFOOQSRMWJOD-UHFFFAOYSA-N 0 0 193.124 1.314 10 0 ADAERN OCc1cc2cc(O)ccc2cn1 238681050 344818616 /nfs/dbraw/zinc/81/86/16/344818616.db2.gz FCPSHFPIXOJIBN-UHFFFAOYSA-N 0 0 175.187 1.433 10 0 ADAERN CSCCC(=O)Nc1ccccn1 244457104 344825892 /nfs/dbraw/zinc/82/58/92/344825892.db2.gz ZETNPPHAYYBXLZ-UHFFFAOYSA-N 0 0 196.275 1.773 10 0 ADAERN O[C@@H](CF)CCc1ccccc1 238678206 344818623 /nfs/dbraw/zinc/81/86/23/344818623.db2.gz KZOXZLWVXLXNED-SNVBAGLBSA-N 0 0 168.211 1.950 10 0 ADAERN Nc1cc(F)c(F)nc1F 238682637 344818624 /nfs/dbraw/zinc/81/86/24/344818624.db2.gz PBALSOOLJZIDMM-UHFFFAOYSA-N 0 0 148.087 1.081 10 0 ADAERN Nc1cc(F)c(OC(F)(F)F)cn1 238683067 344818627 /nfs/dbraw/zinc/81/86/27/344818627.db2.gz HAZFZHWHFUTQKF-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN N#CNc1cccc(C=O)c1 238679232 344818628 /nfs/dbraw/zinc/81/86/28/344818628.db2.gz QTSFVVBUBISSOG-UHFFFAOYSA-N 0 0 146.149 1.392 10 0 ADAERN Nc1cc(F)cc(C(F)F)n1 238683793 344818639 /nfs/dbraw/zinc/81/86/39/344818639.db2.gz BGRXMTPFBJZOOV-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN O=Cc1ccc(C=O)c2nsnc12 238678278 344818649 /nfs/dbraw/zinc/81/86/49/344818649.db2.gz JCBXHVFFGPEWAT-UHFFFAOYSA-N 0 0 192.199 1.316 10 0 ADAERN OCc1cc(-c2ccccc2)ncn1 238678815 344818687 /nfs/dbraw/zinc/81/86/87/344818687.db2.gz QZSJVFGVZGOYHT-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN Nc1cc(F)cnc1C(F)(F)F 238687847 344818991 /nfs/dbraw/zinc/81/89/91/344818991.db2.gz YVFWSHPEJHWTSR-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN Nc1cc(F)cnc1C(F)F 238687868 344818997 /nfs/dbraw/zinc/81/89/97/344818997.db2.gz JVPNXYRPUXFRCY-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN OCCc1conc1-c1ccccc1 238684637 344818998 /nfs/dbraw/zinc/81/89/98/344818998.db2.gz DGHYOFUABMQMEB-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN Nc1cc(F)cc(OC(F)(F)F)n1 238684308 344819049 /nfs/dbraw/zinc/81/90/49/344819049.db2.gz BIQPDJHIIRLFKE-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN OCCCc1ccc2c(c1)OCC2 238686615 344819050 /nfs/dbraw/zinc/81/90/50/344819050.db2.gz FIPLXEQCBPXPBE-UHFFFAOYSA-N 0 0 178.231 1.546 10 0 ADAERN O=C(CO)CCC(=O)c1cccs1 238683870 344819054 /nfs/dbraw/zinc/81/90/54/344819054.db2.gz SPTOXAJBOSEXJS-UHFFFAOYSA-N 0 0 198.243 1.272 10 0 ADAERN c1c[nH]c(-c2ccnc3ncnn23)c1 238684393 344819055 /nfs/dbraw/zinc/81/90/55/344819055.db2.gz JNCHTHJFOMYLJR-UHFFFAOYSA-N 0 0 185.190 1.119 10 0 ADAERN Nc1ccc(Cl)cc1[C@H]([NH3+])CF 238684006 344819073 /nfs/dbraw/zinc/81/90/73/344819073.db2.gz VJFFNAGREXVHJI-MRVPVSSYSA-N 0 0 188.633 1.892 10 0 ADAERN CC[N@H+](C)[C@H]1CCCCC[C@H]1C(=O)[O-] 250093468 344829971 /nfs/dbraw/zinc/82/99/71/344829971.db2.gz XHUSMKJDZNOIFB-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN CC[N@H+](C)[C@@H]1CCCC[C@H]1C(=O)[O-] 250093801 344829976 /nfs/dbraw/zinc/82/99/76/344829976.db2.gz XKAALDLTBIFZMU-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN CCc1n[nH]c([C@@H]2[C@H]3CCC[C@H]32)n1 250274653 344831680 /nfs/dbraw/zinc/83/16/80/344831680.db2.gz VNWVSAFTWRDIRQ-QMSLJYSESA-N 0 0 177.251 1.881 10 0 ADAERN COC(=O)[C@]1(Cl)[C@H]2CCCC[C@H]21 250301325 344831720 /nfs/dbraw/zinc/83/17/20/344831720.db2.gz CHHRWOSRJAEHSC-SRSLHRDFSA-N 0 0 188.654 1.957 10 0 ADAERN CCc1nc([C@H]2C[C@@H]3C[C@@H]3C2)n[nH]1 250274754 344831748 /nfs/dbraw/zinc/83/17/48/344831748.db2.gz WGLAPXLDXFJYFC-RNLVFQAGSA-N 0 0 177.251 1.881 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1C(=O)[O-] 250484941 344834557 /nfs/dbraw/zinc/83/45/57/344834557.db2.gz DPCGEFHTJZHFQZ-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CC[C@H]1C(=O)[O-] 250479929 344834628 /nfs/dbraw/zinc/83/46/28/344834628.db2.gz BPWGVKGBPMEQRZ-HTQZYQBOSA-N 0 0 171.240 1.190 10 0 ADAERN CCO[C@@H]1C[C@@H](C)CC[C@H]1O 250578721 344836588 /nfs/dbraw/zinc/83/65/88/344836588.db2.gz XXPBCRONGRFHOC-DJLDLDEBSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@@H]1CCC[C@@H]1OC[C@H]1CCCO1 250650310 344838371 /nfs/dbraw/zinc/83/83/71/344838371.db2.gz LVESPQNHHNMQQG-BBBLOLIVSA-N 0 0 186.251 1.095 10 0 ADAERN Nc1nsc([C@H]2C[C@@H]3C[C@@H]3C2)n1 250651141 344838394 /nfs/dbraw/zinc/83/83/94/344838394.db2.gz MEEUYEZAVYARIM-FPFOFBBKSA-N 0 0 181.264 1.634 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])C[C@H](C)CC[C@H]1C 250648737 344838400 /nfs/dbraw/zinc/83/84/00/344838400.db2.gz OOANYWFKEKKRAO-FXPVBKGRSA-N 0 0 199.294 1.875 10 0 ADAERN O=C1CSC[C@@H]1[C@H]1CCC[C@H]1O 250645532 344838402 /nfs/dbraw/zinc/83/84/02/344838402.db2.gz JTJYAUJSPICHKK-BWZBUEFSSA-N 0 0 186.276 1.080 10 0 ADAERN O=C1CSC[C@@H]1[C@@H]1CCC[C@H]1O 250645533 344838409 /nfs/dbraw/zinc/83/84/09/344838409.db2.gz JTJYAUJSPICHKK-XLPZGREQSA-N 0 0 186.276 1.080 10 0 ADAERN S=C1N=NC([C@H]2C[C@@H]3C[C@@H]3C2)N1 250657062 344838979 /nfs/dbraw/zinc/83/89/79/344838979.db2.gz OHMUSMVBVMDSEK-FPFOFBBKSA-N 0 0 181.264 1.607 10 0 ADAERN CC1(C)CCC[N@@H+]1[C@@H]1CC[C@H]1C(=O)[O-] 250819707 344841988 /nfs/dbraw/zinc/84/19/88/344841988.db2.gz YYXCFTNOCQHSRG-RKDXNWHRSA-N 0 0 197.278 1.724 10 0 ADAERN Cc1nc([C@H]2C[C@@H]3C[C@@H]3C2)n[nH]1 250890771 344842980 /nfs/dbraw/zinc/84/29/80/344842980.db2.gz BRJZZGOHVRWGQR-RNLVFQAGSA-N 0 0 163.224 1.627 10 0 ADAERN CC1(C)CC[N@@H+]([C@H]2CC[C@H]2C(=O)[O-])C1 250818313 344841906 /nfs/dbraw/zinc/84/19/06/344841906.db2.gz YIPDGESOWPITHH-BDAKNGLRSA-N 0 0 197.278 1.582 10 0 ADAERN CCC[C@@H]1C[C@]2(CCO1)C[C@H]2CO 251154363 344848139 /nfs/dbraw/zinc/84/81/39/344848139.db2.gz NKSIDJPFDMXZNO-AXFHLTTASA-N 0 0 184.279 1.964 10 0 ADAERN CCC[C@@H]1C[C@H]([C@H](C)O)CCO1 251155099 344848140 /nfs/dbraw/zinc/84/81/40/344848140.db2.gz NNGHXVMMCTVICM-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C)[C@H]1C 251250098 344850395 /nfs/dbraw/zinc/85/03/95/344850395.db2.gz VPPDLRPPXBUHDF-IVZWLZJFSA-N 0 0 199.294 1.970 10 0 ADAERN CCO[C@@H]1C[C@@H](O)[C@]1(C)CC 251293644 344851506 /nfs/dbraw/zinc/85/15/06/344851506.db2.gz SBGUVPSNHOBLNK-HLTSFMKQSA-N 0 0 158.241 1.572 10 0 ADAERN O[C@@H]1CCCC[C@@H]1[C@H]1CCOC1 251280827 344851529 /nfs/dbraw/zinc/85/15/29/344851529.db2.gz MQWDEADNWXQDPQ-IVZWLZJFSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@@H]1N[C@H](C)C(=O)N1[C@H](C)C(C)C 251379929 344853324 /nfs/dbraw/zinc/85/33/24/344853324.db2.gz VXYKFFSFJUMHMZ-OPRDCNLKSA-N 0 0 198.310 1.587 10 0 ADAERN Nc1noc([C@@H]2[C@H]3CCC[C@H]32)n1 251472133 344854575 /nfs/dbraw/zinc/85/45/75/344854575.db2.gz VXMKQSVEJWEQAC-FMCRUOTFSA-N 0 0 165.196 1.165 10 0 ADAERN CC[C@@H]1[C@H](C)C[C@H]1O 251471360 344854578 /nfs/dbraw/zinc/85/45/78/344854578.db2.gz BMLMQOJZQCUDCL-FSDSQADBSA-N 0 0 114.188 1.413 10 0 ADAERN C[C@@H](C1CC1)[N@@H+]1CCC[C@]1(C)C(=O)[O-] 251479481 344855244 /nfs/dbraw/zinc/85/52/44/344855244.db2.gz FMLJBIBCNIXODG-GZMMTYOYSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@H]1CCC[C@@H]1C(=O)[O-] 251526652 344855799 /nfs/dbraw/zinc/85/57/99/344855799.db2.gz ALSKXNQJTHUKQH-VGMNWLOBSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H]1C(=O)[O-] 251615310 344861532 /nfs/dbraw/zinc/86/15/32/344861532.db2.gz CHUPEVFNNRHKEX-HLTSFMKQSA-N 0 0 183.251 1.334 10 0 ADAERN CC(C)[C@@H](C)[N@@H+]1CCC(=O)[C@H](C)C1 251624212 344862004 /nfs/dbraw/zinc/86/20/04/344862004.db2.gz FBFKMPVOVAYRRS-NXEZZACHSA-N 0 0 183.295 1.942 10 0 ADAERN C[C@@H]1CC[C@@H](OCCO)C[C@H]1C 251767538 344872247 /nfs/dbraw/zinc/87/22/47/344872247.db2.gz KMRHNDSQSYPVJC-OPRDCNLKSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@H]1CC[C@H](C(=O)[O-])C1 251820383 344875269 /nfs/dbraw/zinc/87/52/69/344875269.db2.gz ZRHPEDGHNFHQSL-VGMNWLOBSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H]1CN([C@H]2CC2(C)C)CCC1=O 251860729 344877352 /nfs/dbraw/zinc/87/73/52/344877352.db2.gz SKSOOAAXHSRMTO-WPRPVWTQSA-N 0 0 181.279 1.696 10 0 ADAERN C[C@@H](NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1)C1CC1 251505957 344855236 /nfs/dbraw/zinc/85/52/36/344855236.db2.gz HZWSLMRHOVUYBO-CZULRBLNSA-N 0 0 193.290 1.947 10 0 ADAERN C[C@H](C1CC1)[N@@H+]1CCC[C@]1(C)C(=O)[O-] 251479486 344855239 /nfs/dbraw/zinc/85/52/39/344855239.db2.gz FMLJBIBCNIXODG-LDYMZIIASA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@H](C)[C@@](C)(O)[C@H]1CCOC1 252019302 344883239 /nfs/dbraw/zinc/88/32/39/344883239.db2.gz XCPFCLVNUPUITN-LPEHRKFASA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H]1CCC[N@@H+](C[C@@H](C)C(=O)[O-])[C@H]1C 252088639 344883929 /nfs/dbraw/zinc/88/39/29/344883929.db2.gz DFYREXUQCSFAOS-AEJSXWLSSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] 252086552 344884004 /nfs/dbraw/zinc/88/40/04/344884004.db2.gz CWYYDJMOXYRFSY-UTLUCORTSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H]1[C@H](C)CC[C@H]1N1CCC(=O)C1 252088144 344884096 /nfs/dbraw/zinc/88/40/96/344884096.db2.gz GTTNCUVCCFJFIL-WCABBAIRSA-N 0 0 181.279 1.696 10 0 ADAERN COC[C@]1(O)C[C@@H](C)C[C@@H](C)C1 252191039 344891241 /nfs/dbraw/zinc/89/12/41/344891241.db2.gz UXZJGOPJHIKNBQ-ILWJIGKKSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H]([NH2+]CC(=O)[O-])C1 252199299 344891248 /nfs/dbraw/zinc/89/12/48/344891248.db2.gz VZMROJKUXPBMSU-BRPSZJMVSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@@H]1[C@@H](NC(=O)C2CC2)CC[C@H]1C 252215301 344893270 /nfs/dbraw/zinc/89/32/70/344893270.db2.gz ZBAXMMBQBSMTRL-WEDXCCLWSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H](N)C(=O)O[C@@H]1CC[C@@H](C)[C@H](C)C1 252473781 344899410 /nfs/dbraw/zinc/89/94/10/344899410.db2.gz XDASFLZIDNKEFW-ZYUZMQFOSA-N 0 0 199.294 1.702 10 0 ADAERN Cn1cc([C@]2(O)[C@H]3CCCC[C@H]32)cn1 252576459 344902714 /nfs/dbraw/zinc/90/27/14/344902714.db2.gz IDGQEPXYKMYOMN-JGPRNRPPSA-N 0 0 192.262 1.428 10 0 ADAERN CC[C@@H]1COCCN1[C@H]1CCCC1=O 252424145 344895408 /nfs/dbraw/zinc/89/54/08/344895408.db2.gz FIQYSYMBCRZLAN-ZJUUUORDSA-N 0 0 197.278 1.219 10 0 ADAERN CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC 252693936 344908807 /nfs/dbraw/zinc/90/88/07/344908807.db2.gz UDZILQKXCYPCMP-NEPJUHHUSA-N 0 0 196.338 1.955 10 0 ADAERN O[C@H]1CC[C@H](Nc2cccnn2)CC1 252708108 344909786 /nfs/dbraw/zinc/90/97/86/344909786.db2.gz ZEQGGSORZFTCRD-KYZUINATSA-N 0 0 193.250 1.192 10 0 ADAERN CCn1cnnc1[C@@H]1[C@H]2CCC[C@H]21 252719259 344910077 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345011269 /nfs/dbraw/zinc/01/12/69/345011269.db2.gz WOQRUOBXHICFFB-KXUCPTDWSA-N 0 0 199.294 1.574 10 0 ADAERN CCCNC(=O)[C@@H]1CCOC[C@H]1C 300907214 345011828 /nfs/dbraw/zinc/01/18/28/345011828.db2.gz XEBACJWQWAUXSC-RKDXNWHRSA-N 0 0 185.267 1.185 10 0 ADAERN CCCn1nncc1N[C@@H]1C[C@@H]1C 301017616 345027014 /nfs/dbraw/zinc/02/70/14/345027014.db2.gz ZARNBWMMNXEYNL-JGVFFNPUSA-N 0 0 180.255 1.508 10 0 ADAERN Cn1nncc1NC1CCCCC1 301020842 345027685 /nfs/dbraw/zinc/02/76/85/345027685.db2.gz ZVMFQYCJQAVCLR-UHFFFAOYSA-N 0 0 180.255 1.560 10 0 ADAERN NC1=NC(=O)O[C@@H]1c1ccccc1F 301020887 345027688 /nfs/dbraw/zinc/02/76/88/345027688.db2.gz NLVYHVXEVNNJJO-SSDOTTSWSA-N 0 0 194.165 1.374 10 0 ADAERN C[C@H]1COCC[C@@H]1C(=O)C1CC1 301033676 345030317 /nfs/dbraw/zinc/03/03/17/345030317.db2.gz SJXIYZBBHUEDQJ-CBAPKCEASA-N 0 0 168.236 1.638 10 0 ADAERN C[C@@H]1COCC[C@H]1c1cc(N)on1 301045860 345033690 /nfs/dbraw/zinc/03/36/90/345033690.db2.gz YFTONLHGIJXJTR-RNFRBKRXSA-N 0 0 182.223 1.397 10 0 ADAERN 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UVIAITJKBYGLCI-CAHLUQPWSA-N 0 0 180.207 1.121 10 0 ADAERN C[C@H](CF)NC(=O)Nc1ccco1 306166889 345057674 /nfs/dbraw/zinc/05/76/74/345057674.db2.gz USCKDEONEFUMMZ-ZCFIWIBFSA-N 0 0 186.186 1.759 10 0 ADAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)no1 306166941 345057682 /nfs/dbraw/zinc/05/76/82/345057682.db2.gz UVIAITJKBYGLCI-FSPLSTOPSA-N 0 0 180.207 1.121 10 0 ADAERN Fc1cnccc1-c1cc[nH]n1 306169915 345061114 /nfs/dbraw/zinc/06/11/14/345061114.db2.gz YKGWMVLRXGZVGP-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN CNC(=O)/C=C/c1nc(C)cs1 306171067 345062816 /nfs/dbraw/zinc/06/28/16/345062816.db2.gz SFRCDYXVCGMIKU-ONEGZZNKSA-N 0 0 182.248 1.211 10 0 ADAERN CC[C@]1([C@@H]2C[C@H]2C)OC(=O)N=C1N 306176463 345067259 /nfs/dbraw/zinc/06/72/59/345067259.db2.gz YKLRXIJUYNQKJN-HCVRKRLWSA-N 0 0 182.223 1.299 10 0 ADAERN O[C@H](c1ccc[nH]1)c1cncs1 306177888 345068263 /nfs/dbraw/zinc/06/82/63/345068263.db2.gz XTDRCGABWGXBSP-MRVPVSSYSA-N 0 0 180.232 1.553 10 0 ADAERN C[C@@H]1C[C@@H]1c1cc[nH]n1 306177439 345068293 /nfs/dbraw/zinc/06/82/93/345068293.db2.gz PRKHPPNMNDOXIR-RITPCOANSA-N 0 0 122.171 1.533 10 0 ADAERN C[C@H]1CC[C@H]1Nc1nn(C)cc1N 306177928 345068414 /nfs/dbraw/zinc/06/84/14/345068414.db2.gz YAPPJVIBRKHJMY-POYBYMJQSA-N 0 0 180.255 1.213 10 0 ADAERN C[C@H]1C[C@H]1c1cc[nH]n1 306177436 345068475 /nfs/dbraw/zinc/06/84/75/345068475.db2.gz PRKHPPNMNDOXIR-NTSWFWBYSA-N 0 0 122.171 1.533 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1nn(C)cc1N 306177927 345068478 /nfs/dbraw/zinc/06/84/78/345068478.db2.gz YAPPJVIBRKHJMY-HTRCEHHLSA-N 0 0 180.255 1.213 10 0 ADAERN C[C@@H]1C[C@H]1c1cc[nH]n1 306177438 345068487 /nfs/dbraw/zinc/06/84/87/345068487.db2.gz PRKHPPNMNDOXIR-PHDIDXHHSA-N 0 0 122.171 1.533 10 0 ADAERN Cc1cc([C@@]2(O)CCOC2)sn1 306177875 345068492 /nfs/dbraw/zinc/06/84/92/345068492.db2.gz GRQLXBMANUKWLX-MRVPVSSYSA-N 0 0 185.248 1.059 10 0 ADAERN c1ccc(CCNc2nnco2)nc1 306182053 345073503 /nfs/dbraw/zinc/07/35/03/345073503.db2.gz WHFSSWXJNYHMQN-UHFFFAOYSA-N 0 0 190.206 1.119 10 0 ADAERN CC(C)CNc1cncc2nncn12 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/nfs/dbraw/zinc/08/23/53/345082353.db2.gz IVEWNEVKJYQOIU-UHFFFAOYSA-N 0 0 193.222 1.302 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1cc(F)c[nH]1 306192634 345082394 /nfs/dbraw/zinc/08/23/94/345082394.db2.gz BUSCROMQADFWKN-CAHLUQPWSA-N 0 0 182.198 1.292 10 0 ADAERN CNC(=S)N1CCCC12CCCC2 306192534 345082396 /nfs/dbraw/zinc/08/23/96/345082396.db2.gz SBSSOVMQMCQTLO-UHFFFAOYSA-N 0 0 198.335 1.899 10 0 ADAERN N#CN[C@@H]1CCC(F)(F)C1 306192861 345082932 /nfs/dbraw/zinc/08/29/32/345082932.db2.gz SMEINEMHPRWIDU-RXMQYKEDSA-N 0 0 146.140 1.245 10 0 ADAERN Cc1cc(NOCC(=O)[O-])cc(C)[nH+]1 306193257 345082936 /nfs/dbraw/zinc/08/29/36/345082936.db2.gz UDCOXYKDVPDIQR-UHFFFAOYSA-N 0 0 196.206 1.127 10 0 ADAERN N#CN[C@H]1CCC(F)(F)C1 306192866 345082967 /nfs/dbraw/zinc/08/29/67/345082967.db2.gz SMEINEMHPRWIDU-YFKPBYRVSA-N 0 0 146.140 1.245 10 0 ADAERN Cc1cc(NC[C@H]2C[C@H]2C)nn1C 306193913 345083559 /nfs/dbraw/zinc/08/35/59/345083559.db2.gz SXRNRDUEKJVBEX-VXNVDRBHSA-N 0 0 179.267 1.796 10 0 ADAERN CC[C@H](C)c1cc(=O)[nH][nH]1 306193479 345083572 /nfs/dbraw/zinc/08/35/72/345083572.db2.gz LKBJEKGEVTVMPA-YFKPBYRVSA-N 0 0 140.186 1.629 10 0 ADAERN CCc1c(N)c(C(C)C)nn1C 306193433 345083592 /nfs/dbraw/zinc/08/35/92/345083592.db2.gz KZZYWHNOMVCDMA-UHFFFAOYSA-N 0 0 167.256 1.688 10 0 ADAERN NC1(c2nc(C3CC3)ns2)CC1 306193744 345083610 /nfs/dbraw/zinc/08/36/10/345083610.db2.gz DKLQYARINHSKHZ-UHFFFAOYSA-N 0 0 181.264 1.363 10 0 ADAERN NC(=S)c1ccc(N2CCC2)cc1 306196480 345085627 /nfs/dbraw/zinc/08/56/27/345085627.db2.gz KIPOVXMDACUFSJ-UHFFFAOYSA-N 0 0 192.287 1.531 10 0 ADAERN Nc1ncc(Cc2csnn2)s1 306197335 345086281 /nfs/dbraw/zinc/08/62/81/345086281.db2.gz MTFVMSVBRXWSJI-UHFFFAOYSA-N 0 0 198.276 1.168 10 0 ADAERN O=C(c1ccncn1)c1ccsn1 306200088 345088603 /nfs/dbraw/zinc/08/86/03/345088603.db2.gz JIWRHZBSXQHINR-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 306201708 345090322 /nfs/dbraw/zinc/09/03/22/345090322.db2.gz LEFBPXDJKMGAME-NZFPMDFQSA-N 0 0 193.290 1.947 10 0 ADAERN NNC[C@H]1CSc2ccccc2O1 306201371 345090374 /nfs/dbraw/zinc/09/03/74/345090374.db2.gz WQOFHFKUXOYDMK-ZETCQYMHSA-N 0 0 196.275 1.003 10 0 ADAERN CC(C)[C@@H]1COC(C)(C)[C@H]1O 306202045 345091218 /nfs/dbraw/zinc/09/12/18/345091218.db2.gz LBRXRPFEVZUYNF-YUMQZZPRSA-N 0 0 158.241 1.428 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CSC[C@H]2C 306201999 345091219 /nfs/dbraw/zinc/09/12/19/345091219.db2.gz XUPFFLUQSIJYBF-KHQFGBGNSA-N 0 0 199.319 1.654 10 0 ADAERN CC(C)[C@H]1COC(C)(C)[C@@H]1O 306202042 345091222 /nfs/dbraw/zinc/09/12/22/345091222.db2.gz LBRXRPFEVZUYNF-HTQZYQBOSA-N 0 0 158.241 1.428 10 0 ADAERN O=C1OC[C@H](Sc2ncccn2)O1 306201914 345091241 /nfs/dbraw/zinc/09/12/41/345091241.db2.gz VQQYFJXMAAVRNP-YFKPBYRVSA-N 0 0 198.203 1.062 10 0 ADAERN Brc1cnc2cc[nH]c2n1 306202385 345091242 /nfs/dbraw/zinc/09/12/42/345091242.db2.gz PXNQLSHOFIUARX-UHFFFAOYSA-N 0 0 198.023 1.672 10 0 ADAERN CC(C)[C@@H]1COC(C)(C)[C@@H]1O 306202043 345091244 /nfs/dbraw/zinc/09/12/44/345091244.db2.gz LBRXRPFEVZUYNF-JGVFFNPUSA-N 0 0 158.241 1.428 10 0 ADAERN CC1CC(O)(c2ccc[nH]2)C1 306202298 345091249 /nfs/dbraw/zinc/09/12/49/345091249.db2.gz PDVPHGKCCYICCS-UHFFFAOYSA-N 0 0 151.209 1.632 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CSC[C@@H]2C 306202001 345091250 /nfs/dbraw/zinc/09/12/50/345091250.db2.gz XUPFFLUQSIJYBF-OYNCUSHFSA-N 0 0 199.319 1.654 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]12CSC[C@H]2C 306202002 345091274 /nfs/dbraw/zinc/09/12/74/345091274.db2.gz XUPFFLUQSIJYBF-WEDXCCLWSA-N 0 0 199.319 1.654 10 0 ADAERN COc1cc(F)cc(C(=O)[C@@H](C)O)c1 306206176 345095296 /nfs/dbraw/zinc/09/52/96/345095296.db2.gz PTKXLGQPHCNOMP-ZCFIWIBFSA-N 0 0 198.193 1.398 10 0 ADAERN O=C(Nc1cn[nH]n1)c1ccsc1 306206529 345095866 /nfs/dbraw/zinc/09/58/66/345095866.db2.gz CDVOANPEPSWHBI-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN CCON[C@H]1COc2ccccc2C1 306208501 345097406 /nfs/dbraw/zinc/09/74/06/345097406.db2.gz RNSLWDDBIMIYTM-SNVBAGLBSA-N 0 0 193.246 1.531 10 0 ADAERN Cc1n[nH]cc1NC(=O)CC(C)C 306217091 345108798 /nfs/dbraw/zinc/10/87/98/345108798.db2.gz PZXXSIDSKBVTNK-UHFFFAOYSA-N 0 0 181.239 1.703 10 0 ADAERN CNC(=O)NC(=O)c1ccc(C)s1 306216988 345108823 /nfs/dbraw/zinc/10/88/23/345108823.db2.gz JRUMANUVHGVXTP-UHFFFAOYSA-N 0 0 198.247 1.126 10 0 ADAERN CCNC(=O)N[C@H]1C[C@@H]1C1CC1 306217839 345109484 /nfs/dbraw/zinc/10/94/84/345109484.db2.gz QYYQOGDFLWDKSN-SFYZADRCSA-N 0 0 168.240 1.104 10 0 ADAERN C[C@@]1(c2cnccn2)CCC[C@@]1(C)O 306217576 345109558 /nfs/dbraw/zinc/10/95/58/345109558.db2.gz DLDFGUYFRJDHNQ-WDEREUQCSA-N 0 0 192.262 1.669 10 0 ADAERN C[C@@H]1C[C@H](Nc2cnn(C)c2)[C@@H]1C 306219899 345112465 /nfs/dbraw/zinc/11/24/65/345112465.db2.gz NJCULYJCBUFZDW-MRTMQBJTSA-N 0 0 179.267 1.877 10 0 ADAERN C[C@H]1C[C@@H](C)N1c1ncc(F)cn1 306222003 345114876 /nfs/dbraw/zinc/11/48/76/345114876.db2.gz QGRPPHLHJXXVLW-KNVOCYPGSA-N 0 0 181.214 1.603 10 0 ADAERN Cc1cc(C)nc(N[C@H](C)[C@@H](C)O)n1 306222845 345115957 /nfs/dbraw/zinc/11/59/57/345115957.db2.gz KXYATTQQXGXMTC-RKDXNWHRSA-N 0 0 195.266 1.275 10 0 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/nfs/dbraw/zinc/15/49/25/345154925.db2.gz OTVOFRFZWNYMFB-ZETCQYMHSA-N 0 0 196.275 1.357 10 0 ADAERN Cc1c(N)nsc1NCCF 306265024 345154929 /nfs/dbraw/zinc/15/49/29/345154929.db2.gz CRJRJFGQFVAYLG-UHFFFAOYSA-N 0 0 175.232 1.415 10 0 ADAERN Fc1ccc(NCC2OCCO2)cc1 306265578 345155375 /nfs/dbraw/zinc/15/53/75/345155375.db2.gz DHNBCVLZYKSWIT-UHFFFAOYSA-N 0 0 197.209 1.611 10 0 ADAERN Cc1ccc(N[C@H]2CCNC2=O)cc1 306265567 345155404 /nfs/dbraw/zinc/15/54/04/345155404.db2.gz DGKJUEHPTVVNTL-JTQLQIEISA-N 0 0 190.246 1.295 10 0 ADAERN CNC(=O)[C@@H]1CCCO[C@@H]1C(C)C 306268994 345157778 /nfs/dbraw/zinc/15/77/78/345157778.db2.gz SEBPHECQODDAST-RKDXNWHRSA-N 0 0 185.267 1.184 10 0 ADAERN CNC(=O)[C@H]1CCCO[C@H]1C(C)C 306268993 345157782 /nfs/dbraw/zinc/15/77/82/345157782.db2.gz SEBPHECQODDAST-IUCAKERBSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@@H]1C[C@@H]1c1ccc(N)nn1 306270146 345158752 /nfs/dbraw/zinc/15/87/52/345158752.db2.gz OHZQADLRWIXXBV-RITPCOANSA-N 0 0 149.197 1.182 10 0 ADAERN 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/nfs/dbraw/zinc/16/48/16/345164816.db2.gz UWRQADPSMVFYCI-SECBINFHSA-N 0 0 190.246 1.511 10 0 ADAERN O=C(c1ccc[nH]1)[C@@H]1CCSC1 306284389 345168734 /nfs/dbraw/zinc/16/87/34/345168734.db2.gz RRZGLUNTTSLSFQ-SSDOTTSWSA-N 0 0 181.260 1.951 10 0 ADAERN Cc1cnn(C)c1C(=O)C(C)(C)F 306284889 345168741 /nfs/dbraw/zinc/16/87/41/345168741.db2.gz SRZSWVIPIFGRTM-UHFFFAOYSA-N 0 0 184.214 1.659 10 0 ADAERN CC(=O)c1cnn([C@H]2CCC[C@@H]2O)c1 306285183 345169397 /nfs/dbraw/zinc/16/93/97/345169397.db2.gz DWCNSNBROZVVGA-UWVGGRQHSA-N 0 0 194.234 1.172 10 0 ADAERN CCNC(=O)N1C[C@H]2CCCC[C@@H]21 306287272 345170691 /nfs/dbraw/zinc/17/06/91/345170691.db2.gz FKDNGWBGBWEVDU-BDAKNGLRSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1[nH]ccc1C(=O)N1CC(C)C1 306287338 345170708 /nfs/dbraw/zinc/17/07/08/345170708.db2.gz KYEGYTQIMFOZPP-UHFFFAOYSA-N 0 0 178.235 1.415 10 0 ADAERN CC1CN(C(=O)[C@@H]2C[C@H]2C)C1 306287954 345170711 /nfs/dbraw/zinc/17/07/11/345170711.db2.gz LVGHLONXRPMIBI-HTQZYQBOSA-N 0 0 153.225 1.121 10 0 ADAERN Cc1ncccc1-n1ccc(N)n1 306287599 345170725 /nfs/dbraw/zinc/17/07/25/345170725.db2.gz ZSPIXFNEUQQVDS-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCNC(=O)N1C[C@@H]2CCCC[C@H]21 306287273 345170747 /nfs/dbraw/zinc/17/07/47/345170747.db2.gz FKDNGWBGBWEVDU-DTWKUNHWSA-N 0 0 182.267 1.590 10 0 ADAERN CC(C)CNC(=O)C(F)(F)Cl 306294459 345176071 /nfs/dbraw/zinc/17/60/71/345176071.db2.gz VZSBTMAXGLYOQE-UHFFFAOYSA-N 0 0 185.601 1.590 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)n1ccnc1 306296434 345177543 /nfs/dbraw/zinc/17/75/43/345177543.db2.gz LYDKVGPVIUCMIA-SFYZADRCSA-N 0 0 179.223 1.239 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCCS1 306299758 345180509 /nfs/dbraw/zinc/18/05/09/345180509.db2.gz FDGQCFYSFZYUJB-HLTSFMKQSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@@H]1CC[C@@H](C)C1NC(=O)C(F)F 306299868 345180514 /nfs/dbraw/zinc/18/05/14/345180514.db2.gz YPKJZBOWCYDXFS-PHDIDXHHSA-N 0 0 191.221 1.802 10 0 ADAERN CC(=O)C[C@@]1(C)CCC[C@@]1(C)O 306300027 345180522 /nfs/dbraw/zinc/18/05/22/345180522.db2.gz GOYRKWSJNFIYRM-NXEZZACHSA-N 0 0 170.252 1.907 10 0 ADAERN O=c1ncc(C2=CCCC2)c[nH]1 306305920 345186279 /nfs/dbraw/zinc/18/62/79/345186279.db2.gz SKJIPACRZWMDHK-UHFFFAOYSA-N 0 0 162.192 1.750 10 0 ADAERN CC1(C)CC[C@@H]1NN1CCOCC1 306306427 345186283 /nfs/dbraw/zinc/18/62/83/345186283.db2.gz FCTBGKMVSXLDBT-VIFPVBQESA-N 0 0 184.283 1.012 10 0 ADAERN C[C@@H]1CC[N@@H+]1Cc1ccc(N)nc1 306318219 345196523 /nfs/dbraw/zinc/19/65/23/345196523.db2.gz FBYLICUQUSSCBM-MRVPVSSYSA-N 0 0 177.251 1.258 10 0 ADAERN C[C@H](CO)Nc1cncc(F)c1 306321173 345198873 /nfs/dbraw/zinc/19/88/73/345198873.db2.gz JLFUGWJFRQWLCL-ZCFIWIBFSA-N 0 0 170.187 1.013 10 0 ADAERN Cn1cc(NCc2ccoc2)nn1 306297581 345178705 /nfs/dbraw/zinc/17/87/05/345178705.db2.gz CROLAXWACAPXLS-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN CC1(C)COC[C@]1(O)c1ccc[nH]1 306334274 345210494 /nfs/dbraw/zinc/21/04/94/345210494.db2.gz UGJAQXWYKPAFRM-JTQLQIEISA-N 0 0 181.235 1.259 10 0 ADAERN CS[C@@H]1CC[C@H]1Nc1cccnn1 306336308 345212581 /nfs/dbraw/zinc/21/25/81/345212581.db2.gz STCDPOWMAJRMEQ-HTQZYQBOSA-N 0 0 195.291 1.783 10 0 ADAERN CS[C@H]1CC[C@H]1Nc1cccnn1 306336312 345212585 /nfs/dbraw/zinc/21/25/85/345212585.db2.gz STCDPOWMAJRMEQ-SFYZADRCSA-N 0 0 195.291 1.783 10 0 ADAERN O=C(c1ccsn1)[C@@H]1CCCOC1 306336787 345212587 /nfs/dbraw/zinc/21/25/87/345212587.db2.gz VXEYWCVFMBJISI-SSDOTTSWSA-N 0 0 197.259 1.752 10 0 ADAERN CC1(C(=O)c2ccc[nH]2)CC1 306338491 345213530 /nfs/dbraw/zinc/21/35/30/345213530.db2.gz INQLGFAXMAXQMC-UHFFFAOYSA-N 0 0 149.193 1.998 10 0 ADAERN C[C@@H](O)CNc1ccnc(C2CC2)n1 306339796 345214765 /nfs/dbraw/zinc/21/47/65/345214765.db2.gz ZWUSJEFPIFLTIB-SSDOTTSWSA-N 0 0 193.250 1.147 10 0 ADAERN Cc1[nH]nc(C(F)F)c1NC(N)=O 306339744 345214787 /nfs/dbraw/zinc/21/47/87/345214787.db2.gz ZKQNAZTVQBDKOO-UHFFFAOYSA-N 0 0 190.153 1.146 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 306339702 345214809 /nfs/dbraw/zinc/21/48/09/345214809.db2.gz VYFZWFMHCSXIHH-FHNUBNKASA-N 0 0 179.263 1.557 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[C@H]21 306339706 345214814 /nfs/dbraw/zinc/21/48/14/345214814.db2.gz VYFZWFMHCSXIHH-SOYHJAILSA-N 0 0 179.263 1.557 10 0 ADAERN O=C(N[C@@H]1CCC[C@@H]1O)OC1CCC1 306340209 345215609 /nfs/dbraw/zinc/21/56/09/345215609.db2.gz KWSLZGREJMFPSC-BDAKNGLRSA-N 0 0 199.250 1.179 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)on1 306340349 345215615 /nfs/dbraw/zinc/21/56/15/345215615.db2.gz WMDMHJCBNQZLCL-CAHLUQPWSA-N 0 0 180.207 1.121 10 0 ADAERN O=C(N[C@H]1CCC[C@H]1O)OC1CCC1 306340210 345215616 /nfs/dbraw/zinc/21/56/16/345215616.db2.gz KWSLZGREJMFPSC-DTWKUNHWSA-N 0 0 199.250 1.179 10 0 ADAERN Nc1cccc(F)c1-n1cccn1 306340836 345215635 /nfs/dbraw/zinc/21/56/35/345215635.db2.gz ZPAZJPKFARPBMO-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)on1 306340354 345215637 /nfs/dbraw/zinc/21/56/37/345215637.db2.gz WMDMHJCBNQZLCL-VDTYLAMSSA-N 0 0 180.207 1.121 10 0 ADAERN CNC(=S)Nc1ccccc1CO 306341190 345215638 /nfs/dbraw/zinc/21/56/38/345215638.db2.gz XGXWUIMJRULZBC-UHFFFAOYSA-N 0 0 196.275 1.095 10 0 ADAERN CC(C)ON[C@@H]1CSC[C@H]1C 306345129 345218965 /nfs/dbraw/zinc/21/89/65/345218965.db2.gz NYYOJNQADJTHAE-HTQZYQBOSA-N 0 0 175.297 1.668 10 0 ADAERN C[C@@H]1C[C@H]1[C@@](C)(O)c1ccc[nH]1 306325453 345202739 /nfs/dbraw/zinc/20/27/39/345202739.db2.gz HGAULFNCAOFNPG-NQMVMOMDSA-N 0 0 165.236 1.878 10 0 ADAERN C[C@H]1CSC[C@@]1(O)c1cnccn1 306328356 345205350 /nfs/dbraw/zinc/20/53/50/345205350.db2.gz ZMWTVIIVTYHLDU-CBAPKCEASA-N 0 0 196.275 1.047 10 0 ADAERN C[C@@H]1C[C@H]1c1ccnc(N)n1 306327956 345205406 /nfs/dbraw/zinc/20/54/06/345205406.db2.gz YFCWMNHDFGYVBP-PHDIDXHHSA-N 0 0 149.197 1.182 10 0 ADAERN C[C@H]1CSC(NCCF)=[NH+]1 306329263 345206767 /nfs/dbraw/zinc/20/67/67/345206767.db2.gz MOGBHHXAGPDCBY-YFKPBYRVSA-N 0 0 162.233 1.037 10 0 ADAERN COc1ccc2c(c1)OC[C@H]2CCO 306348797 345222459 /nfs/dbraw/zinc/22/24/59/345222459.db2.gz UDNFYACGXAKJAY-MRVPVSSYSA-N 0 0 194.230 1.554 10 0 ADAERN C[C@H](O)c1nc(-c2ccsc2)n[nH]1 306349071 345223074 /nfs/dbraw/zinc/22/30/74/345223074.db2.gz KRKGMZWCGNUQNQ-YFKPBYRVSA-N 0 0 195.247 1.587 10 0 ADAERN Cc1ncc(C(=O)C2CC2)n1C 306349125 345223075 /nfs/dbraw/zinc/22/30/75/345223075.db2.gz IUPIUWQXHAXTQT-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN C[C@H]1CC=CC[C@@H]1C(=O)NC1CC1 306349198 345223110 /nfs/dbraw/zinc/22/31/10/345223110.db2.gz UROCRQYDPBLBEI-WPRPVWTQSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@H]1CSC[C@H]1Nc1cncnc1 306350947 345224081 /nfs/dbraw/zinc/22/40/81/345224081.db2.gz NYXAZFAFMPXGOE-IONNQARKSA-N 0 0 195.291 1.640 10 0 ADAERN COc1c(C)nc(C2CC2)nc1N 306350891 345224109 /nfs/dbraw/zinc/22/41/09/345224109.db2.gz NJQWABFNIFRGRC-UHFFFAOYSA-N 0 0 179.223 1.253 10 0 ADAERN Cn1[nH]c(=O)nc1SC1CCCC1 306352935 345225411 /nfs/dbraw/zinc/22/54/11/345225411.db2.gz AGUQYWOKQDJHTJ-UHFFFAOYSA-N 0 0 199.279 1.143 10 0 ADAERN FC1(CNc2cccnn2)CC1 306354308 345226546 /nfs/dbraw/zinc/22/65/46/345226546.db2.gz IWZUMVOBIHXREJ-UHFFFAOYSA-N 0 0 167.187 1.391 10 0 ADAERN CC1(C)OC[C@H](CC2CC2)[C@@H]1O 306358243 345229241 /nfs/dbraw/zinc/22/92/41/345229241.db2.gz YLLZKMAPUPUNQT-IUCAKERBSA-N 0 0 170.252 1.572 10 0 ADAERN Cn1ccc(CNc2nnco2)c1 306358721 345229270 /nfs/dbraw/zinc/22/92/70/345229270.db2.gz AHYOXDUMKIZWII-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cnn(C)c1 306366267 345236294 /nfs/dbraw/zinc/23/62/94/345236294.db2.gz GUCYOBFMQNQSMS-CBAPKCEASA-N 0 0 165.240 1.631 10 0 ADAERN O=C(c1cscn1)C1(O)CCCC1 306366486 345236296 /nfs/dbraw/zinc/23/62/96/345236296.db2.gz CHITZNDXDATWBB-UHFFFAOYSA-N 0 0 197.259 1.631 10 0 ADAERN CCn1cnc2snc(C)c2c1=O 306370699 345239009 /nfs/dbraw/zinc/23/90/09/345239009.db2.gz NLTJNRWHVXSNOO-UHFFFAOYSA-N 0 0 195.247 1.181 10 0 ADAERN CN1CCNc2cncc(Cl)c21 306371705 345240543 /nfs/dbraw/zinc/24/05/43/345240543.db2.gz HKLNNTOHUAJSBA-UHFFFAOYSA-N 0 0 183.642 1.597 10 0 ADAERN CC(C)[C@H](C1CC1)N1CCNC1=O 306347113 345221398 /nfs/dbraw/zinc/22/13/98/345221398.db2.gz QPAXVRHLQNDJKB-SECBINFHSA-N 0 0 182.267 1.446 10 0 ADAERN Cc1n[nH]cc1CNc1cnsn1 306388554 345252685 /nfs/dbraw/zinc/25/26/85/345252685.db2.gz VOLYRXFVTSZCTD-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN COC(=O)[C@H](C)N1C[C@@H]2CCC[C@@H]21 306389118 345253061 /nfs/dbraw/zinc/25/30/61/345253061.db2.gz WIMWROYVSANMCK-CIUDSAMLSA-N 0 0 183.251 1.032 10 0 ADAERN O=C1CSC(C[C@H]2CCCCO2)=N1 306403947 345263799 /nfs/dbraw/zinc/26/37/99/345263799.db2.gz UEQPJCXRNCAWBJ-SSDOTTSWSA-N 0 0 199.275 1.960 10 0 ADAERN O=c1ccc(N[C@H]2CCSC2)c[nH]1 306407696 345267193 /nfs/dbraw/zinc/26/71/93/345267193.db2.gz XKRIXIZBESOJGV-QMMMGPOBSA-N 0 0 196.275 1.705 10 0 ADAERN Cn1cnc([C@@]2(C)CCC(=O)C2)c1 306411637 345270852 /nfs/dbraw/zinc/27/08/52/345270852.db2.gz KUWFJTRNNLFOCV-JTQLQIEISA-N 0 0 178.235 1.431 10 0 ADAERN O=C(c1cc(Cl)ccc1O)N1CC1 306411624 345270903 /nfs/dbraw/zinc/27/09/03/345270903.db2.gz KSYSXNFTKKKFHZ-UHFFFAOYSA-N 0 0 197.621 1.501 10 0 ADAERN CNC(=O)C[C@H]1CCOC(C)(C)C1 306419429 345276631 /nfs/dbraw/zinc/27/66/31/345276631.db2.gz XJGNNKISFCWWSB-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CCN(C)C(=O)C(F)(F)Cl 306418789 345276658 /nfs/dbraw/zinc/27/66/58/345276658.db2.gz VSZWJZVISJETMS-UHFFFAOYSA-N 0 0 171.574 1.296 10 0 ADAERN CN1CC[C@@H](SC(C)(C)C)C1=O 306420884 345277600 /nfs/dbraw/zinc/27/76/00/345277600.db2.gz GKLRPWOQIDLZNV-SSDOTTSWSA-N 0 0 187.308 1.749 10 0 ADAERN CC[C@@](C)([NH3+])c1cc(C)ncn1 306422775 345279736 /nfs/dbraw/zinc/27/97/36/345279736.db2.gz DVPKBRIBNUYJLE-SECBINFHSA-N 0 0 165.240 1.369 10 0 ADAERN Nc1nc(CC2CCCC2)ns1 306382759 345248534 /nfs/dbraw/zinc/24/85/34/345248534.db2.gz ULRFHJWSJBECOR-UHFFFAOYSA-N 0 0 183.280 1.853 10 0 ADAERN C[C@@H]1C[C@H]1[C@@](C)(O)c1cnc(N)s1 306383217 345248543 /nfs/dbraw/zinc/24/85/43/345248543.db2.gz UZVXCJOGVLQEFF-HCVRKRLWSA-N 0 0 198.291 1.589 10 0 ADAERN Cc1cc(C[NH+](C)C)cc(N)n1 306382813 345248546 /nfs/dbraw/zinc/24/85/46/345248546.db2.gz UTPJTPNHBZXPPI-UHFFFAOYSA-N 0 0 165.240 1.034 10 0 ADAERN CC[C@H](C)Nc1cncc(C)n1 306382955 345248553 /nfs/dbraw/zinc/24/85/53/345248553.db2.gz BLWCZRKNNRVEJJ-ZETCQYMHSA-N 0 0 165.240 1.995 10 0 ADAERN [O-]c1ccc[n+](C/C=C/Cl)c1 306382715 345248567 /nfs/dbraw/zinc/24/85/67/345248567.db2.gz PRWHRFHYXBVEQE-DUXPYHPUSA-O 0 0 170.619 1.432 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2ccsn2)O1 306426809 345284133 /nfs/dbraw/zinc/28/41/33/345284133.db2.gz XHKFKTFERNZELB-SVRRBLITSA-N 0 0 197.259 1.893 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2ccsn2)O1 306426808 345284260 /nfs/dbraw/zinc/28/42/60/345284260.db2.gz XHKFKTFERNZELB-POYBYMJQSA-N 0 0 197.259 1.893 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2ccsn2)O1 306427083 345284261 /nfs/dbraw/zinc/28/42/61/345284261.db2.gz XHKFKTFERNZELB-XPUUQOCRSA-N 0 0 197.259 1.893 10 0 ADAERN CC1CN(C(=O)[C@H]2CCSC2)C1 306429030 345286607 /nfs/dbraw/zinc/28/66/07/345286607.db2.gz NXVRYPWBCCQWGV-QMMMGPOBSA-N 0 0 185.292 1.218 10 0 ADAERN C[N@@H+](C1CCCCC1)C1COC1 306438101 345298206 /nfs/dbraw/zinc/29/82/06/345298206.db2.gz MIRHDNTWTWUTOH-UHFFFAOYSA-N 0 0 169.268 1.650 10 0 ADAERN Clc1ccn(Cc2ccno2)n1 306438155 345298212 /nfs/dbraw/zinc/29/82/12/345298212.db2.gz MOCAVBAIFKDDCU-UHFFFAOYSA-N 0 0 183.598 1.573 10 0 ADAERN CC(C)CC(=O)Nc1c[nH]cn1 306437600 345298234 /nfs/dbraw/zinc/29/82/34/345298234.db2.gz LXKUNGPDHZBZDZ-UHFFFAOYSA-N 0 0 167.212 1.394 10 0 ADAERN CSc1ncnc2cc(C)[nH]c12 306438178 345298239 /nfs/dbraw/zinc/29/82/39/345298239.db2.gz MQZQDLQUONYQAF-UHFFFAOYSA-N 0 0 179.248 1.988 10 0 ADAERN CCSc1n[nH]c([C@H]2CCCO2)n1 306438075 345298241 /nfs/dbraw/zinc/29/82/41/345298241.db2.gz MGFHXOADUGUOPX-ZCFIWIBFSA-N 0 0 199.279 1.768 10 0 ADAERN Cc1nc(CN2CCSCC2)c[nH]1 306423630 345280273 /nfs/dbraw/zinc/28/02/73/345280273.db2.gz FWMTWCCYBDVBBO-UHFFFAOYSA-N 0 0 197.307 1.267 10 0 ADAERN COc1cncc(N[C@@H](C)C2CC2)n1 306425978 345283020 /nfs/dbraw/zinc/28/30/20/345283020.db2.gz HWPGXRKYZLAMRW-ZETCQYMHSA-N 0 0 193.250 1.696 10 0 ADAERN O[C@H]1C=C(c2ccc[nH]2)CC1 306439843 345300709 /nfs/dbraw/zinc/30/07/09/345300709.db2.gz PHKGCCAJYJOFOQ-MRVPVSSYSA-N 0 0 149.193 1.553 10 0 ADAERN Cc1cc(C[C@H]2CCNC2=O)cs1 306446388 345306379 /nfs/dbraw/zinc/30/63/79/345306379.db2.gz UTNFYTSAOZBCTQ-SECBINFHSA-N 0 0 195.287 1.735 10 0 ADAERN CC[C@@H](C)NC(=O)N1CCC1(C)C 306449356 345309530 /nfs/dbraw/zinc/30/95/30/345309530.db2.gz YENFBFABGMJVNI-MRVPVSSYSA-N 0 0 184.283 1.979 10 0 ADAERN CC(C)(C)Nc1ncc(F)cn1 306451613 345312194 /nfs/dbraw/zinc/31/21/94/345312194.db2.gz DAXQXHGIPVAFMC-UHFFFAOYSA-N 0 0 169.203 1.826 10 0 ADAERN CO[C@@H](C)[C@@](C)(O)c1ccc[nH]1 306453228 345313200 /nfs/dbraw/zinc/31/32/00/345313200.db2.gz WVZGFYAXVCADPS-IONNQARKSA-N 0 0 169.224 1.257 10 0 ADAERN C[C@@H](C(=O)N(C)C)C1=CCCC1 306452687 345313215 /nfs/dbraw/zinc/31/32/15/345313215.db2.gz WBLQWGSWSGIACV-MRVPVSSYSA-N 0 0 167.252 1.821 10 0 ADAERN C[C@@H]1CC[C@@]1(C(=O)[O-])[NH+]1CCCC1 306453008 345313225 /nfs/dbraw/zinc/31/32/25/345313225.db2.gz ILHOSMGQXNOYQB-PSASIEDQSA-N 0 0 183.251 1.336 10 0 ADAERN F[C@@H]1CC[C@H](Nc2cccnn2)C1 306453307 345313691 /nfs/dbraw/zinc/31/36/91/345313691.db2.gz XWVJPZNBEIVGLT-SFYZADRCSA-N 0 0 181.214 1.779 10 0 ADAERN CNC(=O)N(C)c1cccc(C)n1 306454773 345314665 /nfs/dbraw/zinc/31/46/65/345314665.db2.gz PSSOJIRRFFCYKL-UHFFFAOYSA-N 0 0 179.223 1.166 10 0 ADAERN NC(=O)c1cnoc1-c1ccoc1 306455063 345314972 /nfs/dbraw/zinc/31/49/72/345314972.db2.gz ACHLUKICFIELTI-UHFFFAOYSA-N 0 0 178.147 1.034 10 0 ADAERN CCC1([C@H](O)c2cncnc2)CC1 306455255 345314973 /nfs/dbraw/zinc/31/49/73/345314973.db2.gz NQNNJSCQPXFNMT-SECBINFHSA-N 0 0 178.235 1.700 10 0 ADAERN C[C@@H](NC1CCC1)c1ncn(C)n1 306462645 345322252 /nfs/dbraw/zinc/32/22/52/345322252.db2.gz AIVTWNVUXXNVSE-SSDOTTSWSA-N 0 0 180.255 1.018 10 0 ADAERN Cc1ncoc1C(=O)N[C@H]1C[C@H]1C 306462563 345322255 /nfs/dbraw/zinc/32/22/55/345322255.db2.gz ABBCUXDLSCROOS-VDTYLAMSSA-N 0 0 180.207 1.121 10 0 ADAERN C[C@H](O)C(=O)N1CCC[C@@H](C)CC1 306462361 345322258 /nfs/dbraw/zinc/32/22/58/345322258.db2.gz GZGRJOOBDHSIRV-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN CSC1([C@@H](O)C(F)F)CCC1 306462624 345322263 /nfs/dbraw/zinc/32/22/63/345322263.db2.gz KJMCIOQIIXRKOA-YFKPBYRVSA-N 0 0 182.235 1.898 10 0 ADAERN Cc1occc1[C@H]1C[C@@H](O)CCO1 306462549 345322272 /nfs/dbraw/zinc/32/22/72/345322272.db2.gz AACSAAHSVZSRMO-WCBMZHEXSA-N 0 0 182.219 1.800 10 0 ADAERN Cc1occc1[C@H]1C[C@H](O)CCO1 306462527 345322273 /nfs/dbraw/zinc/32/22/73/345322273.db2.gz AACSAAHSVZSRMO-PSASIEDQSA-N 0 0 182.219 1.800 10 0 ADAERN CCCNC(=O)C1(F)CCC1 306462528 345322284 /nfs/dbraw/zinc/32/22/84/345322284.db2.gz KHTABYAXVMWQIT-UHFFFAOYSA-N 0 0 159.204 1.405 10 0 ADAERN CSC1([C@H](O)C(F)F)CCC1 306462618 345322296 /nfs/dbraw/zinc/32/22/96/345322296.db2.gz KJMCIOQIIXRKOA-RXMQYKEDSA-N 0 0 182.235 1.898 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=S)NC1CCC1 306463584 345323607 /nfs/dbraw/zinc/32/36/07/345323607.db2.gz HPZMQJKFGBILTM-CBAPKCEASA-N 0 0 198.335 1.802 10 0 ADAERN Cc1nc(C(=O)N(C)C(C)C)cs1 306463970 345324063 /nfs/dbraw/zinc/32/40/63/345324063.db2.gz ACJOKMSKEIIMBA-UHFFFAOYSA-N 0 0 198.291 1.932 10 0 ADAERN CCNC(=O)[C@@H]1C=CCCC1 306464713 345324827 /nfs/dbraw/zinc/32/48/27/345324827.db2.gz NJWJGIPOAOLOAO-MRVPVSSYSA-N 0 0 153.225 1.479 10 0 ADAERN Cn1cc(C(=O)C(C)(C)F)cn1 306464563 345324832 /nfs/dbraw/zinc/32/48/32/345324832.db2.gz IKGGGRVYFSBUQA-UHFFFAOYSA-N 0 0 170.187 1.351 10 0 ADAERN CCc1nnc([C@@H]2CCCN2C)o1 306464545 345324835 /nfs/dbraw/zinc/32/48/35/345324835.db2.gz IISFMEIMRDAIQD-ZETCQYMHSA-N 0 0 181.239 1.399 10 0 ADAERN Cc1[nH]nc2c(NCCF)ncnc12 306464633 345325067 /nfs/dbraw/zinc/32/50/67/345325067.db2.gz AVIBHSQMODJGLY-UHFFFAOYSA-N 0 0 195.201 1.043 10 0 ADAERN CC(C)[C@H](C)Nc1ncc(O)cn1 306464785 345325532 /nfs/dbraw/zinc/32/55/32/345325532.db2.gz CSKSAWNOISIGNW-ZETCQYMHSA-N 0 0 181.239 1.639 10 0 ADAERN C[C@@H]1N[C@H]([C@@H]2CCCC[C@H]2C)NC1=O 306465019 345325565 /nfs/dbraw/zinc/32/55/65/345325565.db2.gz JMWKIBGXQNJSNZ-RGOKHQFPSA-N 0 0 196.294 1.247 10 0 ADAERN O=C1CSC(c2cncs2)=N1 306465206 345325570 /nfs/dbraw/zinc/32/55/70/345325570.db2.gz NZANYTQKXXJMIY-UHFFFAOYSA-N 0 0 184.245 1.972 10 0 ADAERN CC(C)[C@H](C)NC(=O)c1cc[nH]c1 306465448 345326273 /nfs/dbraw/zinc/32/62/73/345326273.db2.gz JBTUBHJULRXFOE-QMMMGPOBSA-N 0 0 180.251 1.789 10 0 ADAERN c1nc(N[C@H]2CCSC2)c[nH]1 306466803 345328027 /nfs/dbraw/zinc/32/80/27/345328027.db2.gz JUVUKLQFGKQXFZ-LURJTMIESA-N 0 0 169.253 1.327 10 0 ADAERN Cc1c(N)nnn1CC1(C)CCC1 306466786 345328059 /nfs/dbraw/zinc/32/80/59/345328059.db2.gz JSEZFZMKDIJSHA-UHFFFAOYSA-N 0 0 180.255 1.359 10 0 ADAERN Clc1cnn(CC[C@H]2CO2)c1 306467136 345328066 /nfs/dbraw/zinc/32/80/66/345328066.db2.gz QHSHZHGUUYWVFB-ZETCQYMHSA-N 0 0 172.615 1.325 10 0 ADAERN Clc1cnn(CC[C@@H]2CO2)c1 306467135 345328090 /nfs/dbraw/zinc/32/80/90/345328090.db2.gz QHSHZHGUUYWVFB-SSDOTTSWSA-N 0 0 172.615 1.325 10 0 ADAERN CC(C)CCNc1c[nH]cn1 306469843 345332828 /nfs/dbraw/zinc/33/28/28/345332828.db2.gz PSOYBHZIXPACFR-UHFFFAOYSA-N 0 0 153.229 1.868 10 0 ADAERN C[C@H]1CN(Cc2ccn(C)n2)[C@H]1C 306470001 345332831 /nfs/dbraw/zinc/33/28/31/345332831.db2.gz PZWZAGQUZFSVGL-IUCAKERBSA-N 0 0 179.267 1.260 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177.251 1.537 10 0 ADAERN O=C(Nc1ccno1)C1CCC1 306478054 345344398 /nfs/dbraw/zinc/34/43/98/345344398.db2.gz KZNOKPKHNNSAJN-UHFFFAOYSA-N 0 0 166.180 1.413 10 0 ADAERN CC[C@]1(C)C[NH2+][C@@H]1c1ccncn1 306478045 345344399 /nfs/dbraw/zinc/34/43/99/345344399.db2.gz KZHRGBMEMQYFOR-NXEZZACHSA-N 0 0 177.251 1.537 10 0 ADAERN CC[C@@]1(C)C[NH2+][C@@H]1c1ccncn1 306478050 345344403 /nfs/dbraw/zinc/34/44/03/345344403.db2.gz KZHRGBMEMQYFOR-ZJUUUORDSA-N 0 0 177.251 1.537 10 0 ADAERN FC1(F)CCN(c2ncns2)C1 306478038 345344417 /nfs/dbraw/zinc/34/44/17/345344417.db2.gz KYOIDQSXZGKKAG-UHFFFAOYSA-N 0 0 191.206 1.384 10 0 ADAERN Cc1ccc(-c2nc(O)c[nH]2)nc1C 306470058 345332807 /nfs/dbraw/zinc/33/28/07/345332807.db2.gz QHXOXLKZBZUJDA-UHFFFAOYSA-N 0 0 189.218 1.794 10 0 ADAERN CCc1cc(N)nn1CC(F)(F)F 306469966 345332808 /nfs/dbraw/zinc/33/28/08/345332808.db2.gz WKWDAROJIXYPMX-UHFFFAOYSA-N 0 0 193.172 1.590 10 0 ADAERN Cc1cc(CNC(N)=O)c(C)s1 306479284 345346073 /nfs/dbraw/zinc/34/60/73/345346073.db2.gz 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/nfs/dbraw/zinc/37/21/66/345372166.db2.gz CQVVXIKSEUQYKJ-UHFFFAOYSA-N 0 0 195.247 1.306 10 0 ADAERN C[C@@H]1CCN(c2ncc(F)c(N)n2)C1 306500382 345373900 /nfs/dbraw/zinc/37/39/00/345373900.db2.gz NKDYIIWOSKJYMB-ZCFIWIBFSA-N 0 0 196.229 1.044 10 0 ADAERN CNC(=O)Nc1cc(C)cnc1Cl 306501544 345375793 /nfs/dbraw/zinc/37/57/93/345375793.db2.gz GURFUZZWNMWEQL-UHFFFAOYSA-N 0 0 199.641 1.795 10 0 ADAERN CN(C)C(=O)N1CCC12CCC2 306501884 345375851 /nfs/dbraw/zinc/37/58/51/345375851.db2.gz CQMVQRDNGNWQQF-UHFFFAOYSA-N 0 0 168.240 1.296 10 0 ADAERN C[C@@H]1c2[nH]c(=O)[nH]c2CC[C@H]1C 306501522 345375904 /nfs/dbraw/zinc/37/59/04/345375904.db2.gz ATJMJGRWNCSABH-RITPCOANSA-N 0 0 166.224 1.801 10 0 ADAERN C[C@H]1CCc2[nH]c(=O)[nH]c2[C@H]1C 306501530 345376058 /nfs/dbraw/zinc/37/60/58/345376058.db2.gz ATJMJGRWNCSABH-WDSKDSINSA-N 0 0 166.224 1.801 10 0 ADAERN CC1(C)CCC12CC(=O)NC(=O)C2 306503641 345377965 /nfs/dbraw/zinc/37/79/65/345377965.db2.gz PWZDYBPCDQTAFE-UHFFFAOYSA-N 0 0 181.235 1.229 10 0 ADAERN CC[C@@H](C1CC1)n1cnc(N)n1 306503866 345378050 /nfs/dbraw/zinc/37/80/50/345378050.db2.gz XEANYTPXECRLCH-ZETCQYMHSA-N 0 0 166.228 1.221 10 0 ADAERN Cc1cc(C)nc(C2=NCCN2)c1 306505365 345379186 /nfs/dbraw/zinc/37/91/86/345379186.db2.gz FIJPBMWTGZKAIS-UHFFFAOYSA-N 0 0 175.235 1.048 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccn(C)n1 306505655 345379189 /nfs/dbraw/zinc/37/91/89/345379189.db2.gz UDJNVXJBTLUXMC-HTQZYQBOSA-N 0 0 165.240 1.488 10 0 ADAERN Cc1coc(N2CCC(F)(F)C2)n1 306505730 345379225 /nfs/dbraw/zinc/37/92/25/345379225.db2.gz UIFCBIOTNMNLFY-UHFFFAOYSA-N 0 0 188.177 1.828 10 0 ADAERN NC(=O)c1cc2cc(Cl)ccn2n1 306505571 345379231 /nfs/dbraw/zinc/37/92/31/345379231.db2.gz FMQNWXOHAKZQMX-UHFFFAOYSA-N 0 0 195.609 1.087 10 0 ADAERN N[C@H](c1ccsn1)C(F)F 306507388 345380128 /nfs/dbraw/zinc/38/01/28/345380128.db2.gz XXDHESUNCIDSHC-SCSAIBSYSA-N 0 0 164.180 1.408 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1noc(C2CC2)n1 306507385 345380387 /nfs/dbraw/zinc/38/03/87/345380387.db2.gz XWYMWPFQEFOLTP-VDTYLAMSSA-N 0 0 179.223 1.767 10 0 ADAERN CCC(=O)N[C@H]1CCC[C@H](OC)C1 306508301 345381086 /nfs/dbraw/zinc/38/10/86/345381086.db2.gz AIOLQTDIYXSGOZ-IUCAKERBSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@@H]1CCC[C@]2(COCC(=O)N2)[C@@H]1C 306513917 345384720 /nfs/dbraw/zinc/38/47/20/345384720.db2.gz BCFZRSOPZWFEQR-KKZNHRDASA-N 0 0 197.278 1.328 10 0 ADAERN Nc1cc[nH]c(=O)c1C(F)(F)F 306516096 345386952 /nfs/dbraw/zinc/38/69/52/345386952.db2.gz ATXPRTQMFGDOLX-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN CNC(=S)N1CC[C@H]2CCC[C@@H]21 306515753 345386953 /nfs/dbraw/zinc/38/69/53/345386953.db2.gz WUOUHYHHTADFBU-SFYZADRCSA-N 0 0 184.308 1.365 10 0 ADAERN C[C@@H]1CCNC(=O)c2cc(Cl)cn21 306515876 345386954 /nfs/dbraw/zinc/38/69/54/345386954.db2.gz AICLHBPBDPEYJQ-ZCFIWIBFSA-N 0 0 198.653 1.836 10 0 ADAERN CC1(CC(=O)N2CCSC2)CC1 306516120 345387596 /nfs/dbraw/zinc/38/75/96/345387596.db2.gz AWODLQYXYHLUSS-UHFFFAOYSA-N 0 0 185.292 1.710 10 0 ADAERN O=c1sc(Cl)nn1CCCF 306518534 345389775 /nfs/dbraw/zinc/38/97/75/345389775.db2.gz BTEDGEKEULUNAO-UHFFFAOYSA-N 0 0 196.634 1.318 10 0 ADAERN Cc1cc(C(=O)NC[C@H](C)O)cs1 306519063 345390587 /nfs/dbraw/zinc/39/05/87/345390587.db2.gz HXTRYDRYMHANCS-LURJTMIESA-N 0 0 199.275 1.167 10 0 ADAERN CCCNC(=O)N[C@H]1CC[C@H]1C 306520734 345391750 /nfs/dbraw/zinc/39/17/50/345391750.db2.gz DZCOXOZUYFBKHL-SFYZADRCSA-N 0 0 170.256 1.494 10 0 ADAERN COc1c(F)cc(F)c(F)c1N 306521595 345393919 /nfs/dbraw/zinc/39/39/19/345393919.db2.gz NLFLNXSTRWTRRP-UHFFFAOYSA-N 0 0 177.125 1.695 10 0 ADAERN O=C(Cc1ccoc1)N1CCSC1 306522057 345394453 /nfs/dbraw/zinc/39/44/53/345394453.db2.gz OPGVBLSBQSQFDX-UHFFFAOYSA-N 0 0 197.259 1.355 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1c1nccs1 306522724 345395197 /nfs/dbraw/zinc/39/51/97/345395197.db2.gz QHKQXCSKQLWFDI-RNFRBKRXSA-N 0 0 196.275 1.586 10 0 ADAERN NN1CC[C@@H](OCc2ccccc2)C1 306523342 345395514 /nfs/dbraw/zinc/39/55/14/345395514.db2.gz SKILPCLLGYWSFY-LLVKDONJSA-N 0 0 192.262 1.151 10 0 ADAERN CSc1cnc(N2CC[C@@H]2C)nc1 306525974 345398237 /nfs/dbraw/zinc/39/82/37/345398237.db2.gz SFISNMZLUWVHND-ZETCQYMHSA-N 0 0 195.291 1.797 10 0 ADAERN S=C(Nc1cccnc1)N1CCC1 306526043 345398425 /nfs/dbraw/zinc/39/84/25/345398425.db2.gz SJIVYPAXZXRLJK-UHFFFAOYSA-N 0 0 193.275 1.484 10 0 ADAERN CNC(=O)N1C[C@@H]2CCCC[C@H]21 306529746 345400863 /nfs/dbraw/zinc/40/08/63/345400863.db2.gz FXYVAHREHHYGAY-JGVFFNPUSA-N 0 0 168.240 1.200 10 0 ADAERN COc1cc([C@@H]2CC[C@@H](O)C2)sn1 306529617 345400864 /nfs/dbraw/zinc/40/08/64/345400864.db2.gz CNCVDIHUYJSJRY-RNFRBKRXSA-N 0 0 199.275 1.780 10 0 ADAERN CC[C@H](C)[C@@H](C)[C@H]1CCNC1=O 306529600 345400869 /nfs/dbraw/zinc/40/08/69/345400869.db2.gz CLQRJKNIQBSIID-DJLDLDEBSA-N 0 0 169.268 1.805 10 0 ADAERN CNC(=O)N1C[C@H]2CCCC[C@H]21 306529745 345400927 /nfs/dbraw/zinc/40/09/27/345400927.db2.gz FXYVAHREHHYGAY-HTQZYQBOSA-N 0 0 168.240 1.200 10 0 ADAERN Cc1c[nH]nc1NC(=O)C(C)(C)F 306529551 345400928 /nfs/dbraw/zinc/40/09/28/345400928.db2.gz IIYYMNMCTAGJET-UHFFFAOYSA-N 0 0 185.202 1.405 10 0 ADAERN CC(C)(C)N1C(=O)CCCCC1=O 306512723 345383871 /nfs/dbraw/zinc/38/38/71/345383871.db2.gz QJBFVQIRDJIWLQ-UHFFFAOYSA-N 0 0 183.251 1.714 10 0 ADAERN Cc1coc(NC[C@@H]2CCOC2)n1 306531770 345403661 /nfs/dbraw/zinc/40/36/61/345403661.db2.gz IOVADGLLRQGMKF-QMMMGPOBSA-N 0 0 182.223 1.431 10 0 ADAERN C[C@H]1C[C@@H]1NC(=S)NC1(C)CC1 306531981 345403735 /nfs/dbraw/zinc/40/37/35/345403735.db2.gz LMFPSAVBAPWZFQ-BQBZGAKWSA-N 0 0 184.308 1.411 10 0 ADAERN C[C@@H]1NC(=O)C12CCCCCC2 306532402 345404310 /nfs/dbraw/zinc/40/43/10/345404310.db2.gz LXCAOQAPYBEMIE-QMMMGPOBSA-N 0 0 167.252 1.845 10 0 ADAERN CC[C@@H](C)N1CCCc2[nH]nnc21 306532545 345404388 /nfs/dbraw/zinc/40/43/88/345404388.db2.gz GSHFDRIOGXMTLV-SSDOTTSWSA-N 0 0 180.255 1.356 10 0 ADAERN COc1cc(N)cc(N2CCC2)c1 306532754 345404415 /nfs/dbraw/zinc/40/44/15/345404415.db2.gz MKLSMQVAFCOAFM-UHFFFAOYSA-N 0 0 178.235 1.488 10 0 ADAERN CC(C)[C@@H](C)[C@@H]1COCCC1=O 306533285 345405849 /nfs/dbraw/zinc/40/58/49/345405849.db2.gz HHJXKPXRCDWJDD-BDAKNGLRSA-N 0 0 170.252 1.884 10 0 ADAERN O=Cc1cc2ncc(Cl)cc2[nH]1 306534324 345406972 /nfs/dbraw/zinc/40/69/72/345406972.db2.gz OEEZHHJNNMOMNE-UHFFFAOYSA-N 0 0 180.594 1.980 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cnc(N)cn1 306535527 345408389 /nfs/dbraw/zinc/40/83/89/345408389.db2.gz POOKQKGJWPVEPI-NKWVEPMBSA-N 0 0 178.239 1.269 10 0 ADAERN COC(C)(C)[C@@H]1CC(=O)NC1(C)C 306537530 345410360 /nfs/dbraw/zinc/41/03/60/345410360.db2.gz LKSWDTRAXFKXSY-SSDOTTSWSA-N 0 0 185.267 1.326 10 0 ADAERN CC[S@@](=O)Nc1cccc(O)c1 306537855 345410896 /nfs/dbraw/zinc/41/08/96/345410896.db2.gz JCJCSDXLUMFIGV-GFCCVEGCSA-N 0 0 185.248 1.488 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)[C@H]1CC[C@@H](C)C1 306537963 345411717 /nfs/dbraw/zinc/41/17/17/345411717.db2.gz LUHLKRUUMAFXPQ-XFWSIPNHSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1cc(CO)ccc1N1CCC1 306540652 345414842 /nfs/dbraw/zinc/41/48/42/345414842.db2.gz WNFBNOKYYNLYPT-UHFFFAOYSA-N 0 0 177.247 1.697 10 0 ADAERN C[C@H](N)c1nc(CC2CCC2)no1 306540694 345414871 /nfs/dbraw/zinc/41/48/71/345414871.db2.gz WPRAJLHVAAXARD-LURJTMIESA-N 0 0 181.239 1.432 10 0 ADAERN CC1CN(C(=O)[C@H]2CCCS2)C1 306545214 345419424 /nfs/dbraw/zinc/41/94/24/345419424.db2.gz DEXOVBQYGRDGCE-MRVPVSSYSA-N 0 0 185.292 1.360 10 0 ADAERN CON(C)C(=O)c1cc(C)cc(C)n1 306530083 345401496 /nfs/dbraw/zinc/40/14/96/345401496.db2.gz CXXKLCVPUGUMMQ-UHFFFAOYSA-N 0 0 194.234 1.332 10 0 ADAERN C[C@@H]1C[C@H](N[C@H]2C[C@@H]2C2CC2)C(=O)O1 306546685 345421519 /nfs/dbraw/zinc/42/15/19/345421519.db2.gz BVACQVFTDMTVNT-PRQTWWFRSA-N 0 0 195.262 1.079 10 0 ADAERN Cc1coc(N[C@@H]2CCCC[C@@H]2O)n1 306548935 345423691 /nfs/dbraw/zinc/42/36/91/345423691.db2.gz YFTHBYQPXVNJPM-BDAKNGLRSA-N 0 0 196.250 1.698 10 0 ADAERN COC(C)(C)[C@@H]1C[NH2+]CC(C)(C)O1 306549405 345423968 /nfs/dbraw/zinc/42/39/68/345423968.db2.gz YJCKGIHIRPDSMB-QMMMGPOBSA-N 0 0 187.283 1.178 10 0 ADAERN Cc1cc(=O)[nH]c(C[NH2+]C(C)(C)C)n1 306549380 345424041 /nfs/dbraw/zinc/42/40/41/345424041.db2.gz YGUOPALKOWGRJF-UHFFFAOYSA-N 0 0 195.266 1.379 10 0 ADAERN CC1(C)CCC(=CC(N)=O)CC1 306551032 345426522 /nfs/dbraw/zinc/42/65/22/345426522.db2.gz VYAFXIIPIWZRLO-UHFFFAOYSA-N 0 0 167.252 1.998 10 0 ADAERN CCn1ncnc1-c1cccc(O)c1 306558449 345434233 /nfs/dbraw/zinc/43/42/33/345434233.db2.gz KHOOAWHBHIMVAT-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN O=c1ccc(N[C@H]2CC[C@@H]3C[C@H]23)c[nH]1 306558772 345434419 /nfs/dbraw/zinc/43/44/19/345434419.db2.gz PUTOKJXAYNDORK-JEZHCXPESA-N 0 0 190.246 1.998 10 0 ADAERN Cc1cn(CC[S@@](C)=O)c(C)c1C 306559517 345434931 /nfs/dbraw/zinc/43/49/31/345434931.db2.gz ANSOFTUSADJNKG-CYBMUJFWSA-N 0 0 199.319 1.792 10 0 ADAERN Cc1cn(CC[S@](C)=O)c(C)c1C 306559518 345435200 /nfs/dbraw/zinc/43/52/00/345435200.db2.gz ANSOFTUSADJNKG-ZDUSSCGKSA-N 0 0 199.319 1.792 10 0 ADAERN OC1(CCNc2ccncn2)CCC1 306561031 345437227 /nfs/dbraw/zinc/43/72/27/345437227.db2.gz BLPXVEHCCLWXEP-UHFFFAOYSA-N 0 0 193.250 1.194 10 0 ADAERN CCC[S@](=O)Nc1ccc(N)cn1 306561596 345437717 /nfs/dbraw/zinc/43/77/17/345437717.db2.gz SXRRSSBUQYLTPR-ZDUSSCGKSA-N 0 0 199.279 1.149 10 0 ADAERN CCC[S@@](=O)Nc1ccc(N)cn1 306561595 345437736 /nfs/dbraw/zinc/43/77/36/345437736.db2.gz SXRRSSBUQYLTPR-CYBMUJFWSA-N 0 0 199.279 1.149 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(C)n1 306562198 345438185 /nfs/dbraw/zinc/43/81/85/345438185.db2.gz OCHJLZVUOLBFOX-RNFRBKRXSA-N 0 0 194.238 1.098 10 0 ADAERN CCCC(=O)N1CCC12CCC2 306562555 345438191 /nfs/dbraw/zinc/43/81/91/345438191.db2.gz UHCJOMKBRIAJCO-UHFFFAOYSA-N 0 0 167.252 1.942 10 0 ADAERN CCC=CC(=O)Nc1cn[nH]c1 306567964 345444703 /nfs/dbraw/zinc/44/47/03/345444703.db2.gz IRFIRZVDQKFFQR-ONEGZZNKSA-N 0 0 165.196 1.314 10 0 ADAERN CCC1(Nc2cc(OC)ncn2)CC1 306567831 345444719 /nfs/dbraw/zinc/44/47/19/345444719.db2.gz SZYREBVJFBTUDD-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN Clc1nncn1[C@H]1C[C@@H]2C[C@@H]2C1 306571184 345448589 /nfs/dbraw/zinc/44/85/89/345448589.db2.gz GUTUSVBLQVZOFG-KVSKUHBBSA-N 0 0 183.642 1.903 10 0 ADAERN CCC(=O)Nc1nc(C)c(C)[nH]1 306571093 345448675 /nfs/dbraw/zinc/44/86/75/345448675.db2.gz NXPBQYDWDOIIHJ-UHFFFAOYSA-N 0 0 167.212 1.375 10 0 ADAERN COc1ncc(-n2cccc2)cn1 306571613 345449081 /nfs/dbraw/zinc/44/90/81/345449081.db2.gz GARPAZSRCRCWHN-UHFFFAOYSA-N 0 0 175.191 1.276 10 0 ADAERN Cc1nc([C@@H]2CCO[C@@H]2C)oc1CO 306572155 345449087 /nfs/dbraw/zinc/44/90/87/345449087.db2.gz HMUNDZPMGQPQCF-HTQZYQBOSA-N 0 0 197.234 1.368 10 0 ADAERN Cc1ncc(N[C@@H](C)C2CC2)cn1 306572076 345449102 /nfs/dbraw/zinc/44/91/02/345449102.db2.gz GOZZBXBEKAGKGQ-ZETCQYMHSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cc(NCc2cn[nH]c2)no1 306572125 345449111 /nfs/dbraw/zinc/44/91/11/345449111.db2.gz HKEHKPXORBWEPO-UHFFFAOYSA-N 0 0 178.195 1.318 10 0 ADAERN CNC(=O)N(C)[C@H](C)[C@H]1CC1(C)C 306572975 345450273 /nfs/dbraw/zinc/45/02/73/345450273.db2.gz HHWZVUCECKRNDY-HTQZYQBOSA-N 0 0 184.283 1.692 10 0 ADAERN O=C(c1ccns1)c1cnns1 306573316 345450294 /nfs/dbraw/zinc/45/02/94/345450294.db2.gz HKJRHKXQQKSHJH-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN CC[C@H]1C[C@H]1C(=O)Nc1n[nH]c(C)n1 306562196 345438203 /nfs/dbraw/zinc/43/82/03/345438203.db2.gz 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/nfs/dbraw/zinc/44/29/09/345442909.db2.gz YRZQKRFVVUDCJQ-UHFFFAOYSA-N 0 0 192.222 1.572 10 0 ADAERN CCC1(C(=O)N2CCCC(=O)C2)CC1 306566159 345442970 /nfs/dbraw/zinc/44/29/70/345442970.db2.gz YNPYJMFLKPGPME-UHFFFAOYSA-N 0 0 195.262 1.368 10 0 ADAERN Nc1cccc(CCN2CCC2=O)c1 306566223 345443008 /nfs/dbraw/zinc/44/30/08/345443008.db2.gz RWBWYNDFEYXBHO-UHFFFAOYSA-N 0 0 190.246 1.044 10 0 ADAERN CCCn1cc(C2(O)CSC2)cn1 306574726 345452075 /nfs/dbraw/zinc/45/20/75/345452075.db2.gz JAMGHQQWGKDKMA-UHFFFAOYSA-N 0 0 198.291 1.228 10 0 ADAERN NN[C@H](c1ccns1)C(F)(F)F 306576451 345453370 /nfs/dbraw/zinc/45/33/70/345453370.db2.gz KLMQTZSRALKWQF-SCSAIBSYSA-N 0 0 197.185 1.210 10 0 ADAERN C[C@H]1CN(C(=O)CC2CC2)CCS1 306577234 345454939 /nfs/dbraw/zinc/45/49/39/345454939.db2.gz UVNZSJXXKOETED-QMMMGPOBSA-N 0 0 199.319 1.750 10 0 ADAERN CC1(C)C[C@H]1c1cc(CO)no1 306580873 345457877 /nfs/dbraw/zinc/45/78/77/345457877.db2.gz PAWUEGOFUMMZDU-ZETCQYMHSA-N 0 0 167.208 1.680 10 0 ADAERN CNC(=O)N(C)c1ccc(Cl)cn1 306580970 345458381 /nfs/dbraw/zinc/45/83/81/345458381.db2.gz OFRGKVHXELNEEP-UHFFFAOYSA-N 0 0 199.641 1.511 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@H]1C1CCC1 306583208 345460576 /nfs/dbraw/zinc/46/05/76/345460576.db2.gz PNIPPHGYZGHVIH-JEZHCXPESA-N 0 0 181.279 1.947 10 0 ADAERN O=C1C[C@@H](O)CN1CC1=CCCCC1 306584864 345461522 /nfs/dbraw/zinc/46/15/22/345461522.db2.gz GTZYHLDIGKAJTI-SNVBAGLBSA-N 0 0 195.262 1.080 10 0 ADAERN Oc1cncc(-c2ccns2)c1 306585115 345461995 /nfs/dbraw/zinc/46/19/95/345461995.db2.gz SJLCGHBUVYGXAL-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN CC(C)(C)[C@H](NN)c1ccsn1 306585906 345462778 /nfs/dbraw/zinc/46/27/78/345462778.db2.gz STPMVJVXJLOTPH-SSDOTTSWSA-N 0 0 185.296 1.694 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C1(F)CCC1 306574845 345451746 /nfs/dbraw/zinc/45/17/46/345451746.db2.gz RRTOOFHWFQWBLA-RQJHMYQMSA-N 0 0 171.215 1.403 10 0 ADAERN CC1(C)CC(Nc2nnc(N)o2)C1 306591671 345468870 /nfs/dbraw/zinc/46/88/70/345468870.db2.gz VTTPOQCQTKJKRD-UHFFFAOYSA-N 0 0 182.227 1.252 10 0 ADAERN C1CCN(CC[C@@H]2CCOC2)NC1 306592585 345469729 /nfs/dbraw/zinc/46/97/29/345469729.db2.gz ZTKXUBBDOHMWCV-SNVBAGLBSA-N 0 0 184.283 1.013 10 0 ADAERN CCC1(Nc2ccc(N)nn2)CC1 306594575 345471485 /nfs/dbraw/zinc/47/14/85/345471485.db2.gz JLZKUWGRKKJEFA-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN CCOC(=O)N[C@H]1CCS[C@@H]1C 306595838 345472603 /nfs/dbraw/zinc/47/26/03/345472603.db2.gz LREFCYNODFMXPI-RQJHMYQMSA-N 0 0 189.280 1.627 10 0 ADAERN CCc1nc([C@@H]2C[C@H]2C)oc1CO 306596239 345473016 /nfs/dbraw/zinc/47/30/16/345473016.db2.gz YQZWBPXAELXHQL-RNFRBKRXSA-N 0 0 181.235 1.853 10 0 ADAERN Cc1cnc(C[C@@H]2CCC(=O)N2)s1 306599239 345475588 /nfs/dbraw/zinc/47/55/88/345475588.db2.gz QXPVOXQQOOTMIR-ZETCQYMHSA-N 0 0 196.275 1.273 10 0 ADAERN C[C@@H]1N[C@]2(CCCC[C@@H]2C)NC1=O 306599439 345475762 /nfs/dbraw/zinc/47/57/62/345475762.db2.gz HIOVXQSBMDSMNM-OYNCUSHFSA-N 0 0 182.267 1.001 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H](c2ccc[nH]2)[NH2+]1 306603485 345478976 /nfs/dbraw/zinc/47/89/76/345478976.db2.gz XLDSLOJJRUFRKR-IUCAKERBSA-N 0 0 194.234 1.283 10 0 ADAERN OC[C@@H](NO)c1cccc(Cl)c1 306604250 345479575 /nfs/dbraw/zinc/47/95/75/345479575.db2.gz YOKFCQZIPVLCPU-MRVPVSSYSA-N 0 0 187.626 1.352 10 0 ADAERN CCCC1(Nc2ncnc(N)n2)CC1 306604838 345480085 /nfs/dbraw/zinc/48/00/85/345480085.db2.gz ZOVJDJUPCDGXKI-UHFFFAOYSA-N 0 0 193.254 1.198 10 0 ADAERN CO[C@@H]1CCCCC[C@H]1NC(C)=O 306604487 345480388 /nfs/dbraw/zinc/48/03/88/345480388.db2.gz OHUBBMUBLJPHLL-NXEZZACHSA-N 0 0 185.267 1.470 10 0 ADAERN Cc1cc(F)c(CNN)c(F)c1 306607549 345482216 /nfs/dbraw/zinc/48/22/16/345482216.db2.gz IDVXIXLYOBFPLM-UHFFFAOYSA-N 0 0 172.178 1.237 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1CC[C@H]1C 306608853 345483234 /nfs/dbraw/zinc/48/32/34/345483234.db2.gz JPYBRBBQGYTLOU-VDTYLAMSSA-N 0 0 173.643 1.654 10 0 ADAERN CC(C)[S@](=O)Nc1ccncc1N 306608877 345483320 /nfs/dbraw/zinc/48/33/20/345483320.db2.gz JRMQLJJBNQAPOU-ZDUSSCGKSA-N 0 0 199.279 1.148 10 0 ADAERN O=c1cnc(Cc2cccnc2)c[nH]1 306610216 345484477 /nfs/dbraw/zinc/48/44/77/345484477.db2.gz DXEMKITVPYTHLS-UHFFFAOYSA-N 0 0 187.202 1.168 10 0 ADAERN C[C@H](NC(=O)C(C)(C)F)C(C)(C)O 306610780 345484482 /nfs/dbraw/zinc/48/44/82/345484482.db2.gz FLCKMWQRGJYRBG-LURJTMIESA-N 0 0 191.246 1.010 10 0 ADAERN CC(=O)c1c[nH]c([C@]2(C)CCCO2)n1 306611635 345485444 /nfs/dbraw/zinc/48/54/44/345485444.db2.gz GTIOJHZMAZDMPC-JTQLQIEISA-N 0 0 194.234 1.638 10 0 ADAERN CC(C)(F)C(=O)OC1CCC1 306611964 345486010 /nfs/dbraw/zinc/48/60/10/345486010.db2.gz HNGWTPQETHEZBS-UHFFFAOYSA-N 0 0 160.188 1.830 10 0 ADAERN Cc1c(N)noc1CC1(C)CC1 306612049 345486029 /nfs/dbraw/zinc/48/60/29/345486029.db2.gz MHGZLGAIUXVLMK-UHFFFAOYSA-N 0 0 166.224 1.908 10 0 ADAERN CN(C)Nc1c(N)cccc1F 306615305 345488619 /nfs/dbraw/zinc/48/86/19/345488619.db2.gz NACXOMHEGGEBKA-UHFFFAOYSA-N 0 0 169.203 1.296 10 0 ADAERN C=C(Cl)C(=O)Nc1cc(C)[nH]n1 306615724 345489243 /nfs/dbraw/zinc/48/92/43/345489243.db2.gz PLHBZDBKXTVMRQ-UHFFFAOYSA-N 0 0 185.614 1.409 10 0 ADAERN Cc1cn(C[C@@H](C)C(N)=O)cc1C 306615676 345489252 /nfs/dbraw/zinc/48/92/52/345489252.db2.gz NXOSKHGPLIOAQP-SECBINFHSA-N 0 0 180.251 1.226 10 0 ADAERN CC[C@H]1CS[C@@H](c2ccn(C)n2)N1 306615894 345489253 /nfs/dbraw/zinc/48/92/53/345489253.db2.gz OLGBYMRORIWXQI-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN CC(C)C1CC(O)(c2ncnn2C)C1 306615876 345489258 /nfs/dbraw/zinc/48/92/58/345489258.db2.gz OHRPOJUGMIZEMU-UHFFFAOYSA-N 0 0 195.266 1.069 10 0 ADAERN CONCc1cc(C)[nH]c1C 306615921 345489299 /nfs/dbraw/zinc/48/92/99/345489299.db2.gz BRYFMVKAHBYUOF-UHFFFAOYSA-N 0 0 154.213 1.283 10 0 ADAERN Cc1cnc([C@H](O)c2ccc[nH]2)s1 306616335 345489897 /nfs/dbraw/zinc/48/98/97/345489897.db2.gz BXVCMCJVUBMZJQ-MRVPVSSYSA-N 0 0 194.259 1.861 10 0 ADAERN CNC(=S)N[C@@H]1Cc2ccccc21 306618661 345491862 /nfs/dbraw/zinc/49/18/62/345491862.db2.gz SXCWYQDVHXBUDR-SECBINFHSA-N 0 0 192.287 1.378 10 0 ADAERN C[C@](O)(c1cncnc1)C1CCCC1 306623678 345495403 /nfs/dbraw/zinc/49/54/03/345495403.db2.gz DQUBAXSDXXSEPB-LLVKDONJSA-N 0 0 192.262 1.874 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ncccn2)[C@@H]1C 306626404 345498120 /nfs/dbraw/zinc/49/81/20/345498120.db2.gz HVOYTXHTMCZTPM-IWSPIJDZSA-N 0 0 177.251 1.933 10 0 ADAERN CC(C)[C@@H](C)n1ncnc1N 306630014 345500251 /nfs/dbraw/zinc/50/02/51/345500251.db2.gz FCZIRCKZVMCRHI-ZCFIWIBFSA-N 0 0 154.217 1.077 10 0 ADAERN C[C@@H]1CC2(CC(=O)NC(=O)C2)[C@@H]1C 306635563 345503610 /nfs/dbraw/zinc/50/36/10/345503610.db2.gz ADIFNFDZNYPDMN-RNFRBKRXSA-N 0 0 181.235 1.085 10 0 ADAERN CCCN1CC(=O)Nc2ccncc21 306635679 345503897 /nfs/dbraw/zinc/50/38/97/345503897.db2.gz AJZMKEFSYVIJGO-UHFFFAOYSA-N 0 0 191.234 1.250 10 0 ADAERN CO[C@@H](C)c1ncn(C(C)(C)C)c1N 306636476 345505144 /nfs/dbraw/zinc/50/51/44/345505144.db2.gz AQWWLRZQVLXSOQ-ZETCQYMHSA-N 0 0 197.282 1.928 10 0 ADAERN Cc1cscc1N1CCCNC1=O 306636932 345505146 /nfs/dbraw/zinc/50/51/46/345505146.db2.gz MAYGCZXOGZDSJI-UHFFFAOYSA-N 0 0 196.275 1.976 10 0 ADAERN O=C1NC[C@@H](C2CC2)n2cccc21 306637359 345505554 /nfs/dbraw/zinc/50/55/54/345505554.db2.gz BKYDZXMORGQFBX-VIFPVBQESA-N 0 0 176.219 1.183 10 0 ADAERN O=C1NC[C@H](C2CC2)n2cccc21 306637357 345505594 /nfs/dbraw/zinc/50/55/94/345505594.db2.gz BKYDZXMORGQFBX-SECBINFHSA-N 0 0 176.219 1.183 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C1=CCCC1 306625893 345497666 /nfs/dbraw/zinc/49/76/66/345497666.db2.gz HFXVIWRSIANCAB-IONNQARKSA-N 0 0 165.236 1.621 10 0 ADAERN O=C(Nc1ncco1)C1CCCC1 306637409 345505645 /nfs/dbraw/zinc/50/56/45/345505645.db2.gz BQIKVLKXKXIFNK-UHFFFAOYSA-N 0 0 180.207 1.803 10 0 ADAERN CC[C@@H]1CCN(C(=S)NC)[C@@H]1C 306638244 345505818 /nfs/dbraw/zinc/50/58/18/345505818.db2.gz MVTAYTHZCMEQOB-HTQZYQBOSA-N 0 0 186.324 1.611 10 0 ADAERN Cc1cccnc1N1C[C@H](C)[C@H](O)C1 306639388 345507172 /nfs/dbraw/zinc/50/71/72/345507172.db2.gz OACDJMQCGIKEHO-VHSXEESVSA-N 0 0 192.262 1.207 10 0 ADAERN C[C@@H]1[C@@H](n2cncc2C[NH3+])C[C@H]1C 306642689 345511033 /nfs/dbraw/zinc/51/10/33/345511033.db2.gz UKKSRVRQSMMMDY-WEDXCCLWSA-N 0 0 179.267 1.559 10 0 ADAERN CC[C@H](C)NC(=O)N1CC[C@@H](C)C1 306644600 345513448 /nfs/dbraw/zinc/51/34/48/345513448.db2.gz AXCWJHFPDDAPHY-BDAKNGLRSA-N 0 0 184.283 1.836 10 0 ADAERN c1ncc([C@H]2[NH2+]CC23CCC3)cn1 306652239 345519140 /nfs/dbraw/zinc/51/91/40/345519140.db2.gz CMGSJVXBOHTWFS-SECBINFHSA-N 0 0 175.235 1.291 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306657981 345523073 /nfs/dbraw/zinc/52/30/73/345523073.db2.gz KLBKHOBIWDVZQJ-GENCIFFESA-N 0 0 179.263 1.557 10 0 ADAERN CCO[C@@H](C)c1noc(C)n1 306658633 345523811 /nfs/dbraw/zinc/52/38/11/345523811.db2.gz IZHRHALSZLDUNI-YFKPBYRVSA-N 0 0 156.185 1.476 10 0 ADAERN CS(=O)(=O)[C@@H]1CCc2ccccc21 306658231 345524033 /nfs/dbraw/zinc/52/40/33/345524033.db2.gz IPHLKNASBKBUSH-SNVBAGLBSA-N 0 0 196.271 1.719 10 0 ADAERN COc1cc(C(N)=O)cc(F)c1F 306659397 345524730 /nfs/dbraw/zinc/52/47/30/345524730.db2.gz OXLQKHLTDUECBR-UHFFFAOYSA-N 0 0 187.145 1.072 10 0 ADAERN Cn1cc(N)c(NC2CC(C)(C)C2)n1 306637087 345505647 /nfs/dbraw/zinc/50/56/47/345505647.db2.gz BEXDSHKLYBHXQA-UHFFFAOYSA-N 0 0 194.282 1.603 10 0 ADAERN C[C@H](Nc1nnco1)[C@@H]1CCCO1 306637178 345505653 /nfs/dbraw/zinc/50/56/53/345505653.db2.gz FDNWGBXVPGSFFC-BQBZGAKWSA-N 0 0 183.211 1.049 10 0 ADAERN COc1cc(C)nc(NCCF)n1 306675624 345537683 /nfs/dbraw/zinc/53/76/83/345537683.db2.gz SYNQRCIPNUFBBY-UHFFFAOYSA-N 0 0 185.202 1.175 10 0 ADAERN CC[C@H](C)Cn1cnc(C)cc1=O 306676726 345539316 /nfs/dbraw/zinc/53/93/16/345539316.db2.gz WYJJORNZJHSJSQ-QMMMGPOBSA-N 0 0 180.251 1.598 10 0 ADAERN CCNC(=O)Oc1ccc(N)c(F)c1 306678127 345540619 /nfs/dbraw/zinc/54/06/19/345540619.db2.gz BBCIEUDRQARUIL-UHFFFAOYSA-N 0 0 198.197 1.516 10 0 ADAERN CC[C@H](O)[C@H](C)Nc1cccc(F)n1 306679011 345541092 /nfs/dbraw/zinc/54/10/92/345541092.db2.gz AUNJMQNMYPUJDB-YUMQZZPRSA-N 0 0 198.241 1.792 10 0 ADAERN Nc1ncc2c(n1)C1CCC2CC1 306681595 345543494 /nfs/dbraw/zinc/54/34/94/345543494.db2.gz OKQAEGKPSGVSAT-UHFFFAOYSA-N 0 0 175.235 1.814 10 0 ADAERN O=C(N[C@H]1CC[C@@H](F)C1)C1CCC1 306683603 345545159 /nfs/dbraw/zinc/54/51/59/345545159.db2.gz WNMVVRQHQKDCON-BDAKNGLRSA-N 0 0 185.242 1.793 10 0 ADAERN CC[C@H]1CCN1C(=O)NC(C)(C)C 306685348 345546202 /nfs/dbraw/zinc/54/62/02/345546202.db2.gz DTPWYJCEPULXCQ-QMMMGPOBSA-N 0 0 184.283 1.979 10 0 ADAERN CC1CC(C(=O)NC2(C)CC2)C1 306685358 345546549 /nfs/dbraw/zinc/54/65/49/345546549.db2.gz DVLUQMWJMVUBAD-UHFFFAOYSA-N 0 0 167.252 1.701 10 0 ADAERN CC(C)[C@@H](C)[C@@](C)(O)c1ccncn1 306668182 345531034 /nfs/dbraw/zinc/53/10/34/345531034.db2.gz KALBFKHTXWXDEM-MWLCHTKSSA-N 0 0 194.278 1.976 10 0 ADAERN NC(=O)Nc1ncc(Cl)s1 306697482 345553570 /nfs/dbraw/zinc/55/35/70/345553570.db2.gz ZMCWTDYROQYADB-UHFFFAOYSA-N 0 0 177.616 1.287 10 0 ADAERN CCNC(=O)Oc1cc(N)ccc1C 306704654 345558594 /nfs/dbraw/zinc/55/85/94/345558594.db2.gz JXTMXEGZWATLJC-UHFFFAOYSA-N 0 0 194.234 1.686 10 0 ADAERN CC[C@@H](NC(C)=O)C1CCC1 306704672 345558595 /nfs/dbraw/zinc/55/85/95/345558595.db2.gz JZDSBPZLANXQJG-SECBINFHSA-N 0 0 155.241 1.701 10 0 ADAERN CC(C)[C@@H](NC#N)C1CCC1 306709036 345562377 /nfs/dbraw/zinc/56/23/77/345562377.db2.gz OSTZLPYNXQRQSP-SECBINFHSA-N 0 0 152.241 1.882 10 0 ADAERN CNc1ccc(NC(=O)N(C)C)cn1 306709010 345562380 /nfs/dbraw/zinc/56/23/80/345562380.db2.gz OPVBQDAFEHTMQK-UHFFFAOYSA-N 0 0 194.238 1.217 10 0 ADAERN C[C@@H]1COC[C@@H](C)N1C(F)(F)F 306708719 345562383 /nfs/dbraw/zinc/56/23/83/345562383.db2.gz LEDVACUSFNDINH-PHDIDXHHSA-N 0 0 183.173 1.615 10 0 ADAERN O=c1ncc(-c2ccsn2)c[nH]1 306709266 345562422 /nfs/dbraw/zinc/56/24/22/345562422.db2.gz QLGOITFVFPVHIE-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN CSC(C)(C)c1nc(C)nc(N)n1 306709338 345562434 /nfs/dbraw/zinc/56/24/34/345562434.db2.gz PGSFJTXMFHMAQL-UHFFFAOYSA-N 0 0 198.295 1.360 10 0 ADAERN CC(C)[C@H](NC#N)C1CCC1 306709037 345562441 /nfs/dbraw/zinc/56/24/41/345562441.db2.gz OSTZLPYNXQRQSP-VIFPVBQESA-N 0 0 152.241 1.882 10 0 ADAERN CC(C)[C@H](C1CCC1)N1CCNC1=O 306710168 345563586 /nfs/dbraw/zinc/56/35/86/345563586.db2.gz QSJAHBRYIYQRRO-SNVBAGLBSA-N 0 0 196.294 1.836 10 0 ADAERN Cc1nn(C)cc1[C@H]1CCC(=O)C1 306712115 345565084 /nfs/dbraw/zinc/56/50/84/345565084.db2.gz TXIGPTQCIJUWLS-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN CCCC(=O)Nc1nc(C)c(C)[nH]1 306713262 345565868 /nfs/dbraw/zinc/56/58/68/345565868.db2.gz PHDKAVMBAIXOKD-UHFFFAOYSA-N 0 0 181.239 1.765 10 0 ADAERN C[C@@]1(C(N)=S)CCCS1 306715310 345567369 /nfs/dbraw/zinc/56/73/69/345567369.db2.gz YTWFSFPGRXEKNJ-LURJTMIESA-N 0 0 161.295 1.558 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cn[nH]c1 306716317 345568910 /nfs/dbraw/zinc/56/89/10/345568910.db2.gz TWWBDBHQLGHRFX-POYBYMJQSA-N 0 0 151.213 1.620 10 0 ADAERN Cc1coc(N[C@H]2C[C@@H]2C)n1 306694933 345552197 /nfs/dbraw/zinc/55/21/97/345552197.db2.gz UGRHRRYKIGSDDO-FSPLSTOPSA-N 0 0 152.197 1.803 10 0 ADAERN Cc1coc(N[C@@H]2C[C@@H]2C)n1 306694931 345552206 /nfs/dbraw/zinc/55/22/06/345552206.db2.gz UGRHRRYKIGSDDO-CAHLUQPWSA-N 0 0 152.197 1.803 10 0 ADAERN Cc1cnnc(N[C@@H]2CC[C@H]2C)c1 306731335 345580379 /nfs/dbraw/zinc/58/03/79/345580379.db2.gz LPFCXTSEDNPMJT-RKDXNWHRSA-N 0 0 177.251 1.995 10 0 ADAERN C[S@@](=O)Nc1cnccc1Cl 306731682 345580410 /nfs/dbraw/zinc/58/04/10/345580410.db2.gz LWAXZALGGVSYRA-LLVKDONJSA-N 0 0 190.655 1.440 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)c1cnn(C)n1 306731576 345580416 /nfs/dbraw/zinc/58/04/16/345580416.db2.gz QTZLJXBAZHZKGE-WPRPVWTQSA-N 0 0 195.266 1.213 10 0 ADAERN C[S@](=O)Nc1cnccc1Cl 306731683 345580424 /nfs/dbraw/zinc/58/04/24/345580424.db2.gz LWAXZALGGVSYRA-NSHDSACASA-N 0 0 190.655 1.440 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)c1cnn(C)n1 306731433 345580447 /nfs/dbraw/zinc/58/04/47/345580447.db2.gz QTZLJXBAZHZKGE-SCZZXKLOSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)c1cnn(C)n1 306731431 345580454 /nfs/dbraw/zinc/58/04/54/345580454.db2.gz QTZLJXBAZHZKGE-PSASIEDQSA-N 0 0 195.266 1.213 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@@H]1C[C@@H](C)[C@@H]1C 306731890 345580506 /nfs/dbraw/zinc/58/05/06/345580506.db2.gz LZCBVPBERGWWCR-UTINFBMNSA-N 0 0 196.294 1.199 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CO 306732430 345580900 /nfs/dbraw/zinc/58/09/00/345580900.db2.gz SAKMDAPUADXUKB-HRDYMLBCSA-N 0 0 186.251 1.347 10 0 ADAERN O[C@@H]1CCCC[C@H]1Sc1c[nH]nn1 306734829 345582600 /nfs/dbraw/zinc/58/26/00/345582600.db2.gz VHTJNXAXJJQVJR-RNFRBKRXSA-N 0 0 199.279 1.200 10 0 ADAERN C[NH2+]C1CCC2(CC1)C[C@@H]2C(=O)[O-] 306734795 345582608 /nfs/dbraw/zinc/58/26/08/345582608.db2.gz VENVQSWMKGZHHU-CCNFQMFXSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1scc(-c2nnc(N)o2)c1C 306734940 345582623 /nfs/dbraw/zinc/58/26/23/345582623.db2.gz OSKBMTYXPSRKSL-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN NC1(c2nc(CC3CCC3)no2)CC1 306735974 345583095 /nfs/dbraw/zinc/58/30/95/345583095.db2.gz WZTZJNNUJHPMII-UHFFFAOYSA-N 0 0 193.250 1.360 10 0 ADAERN CCn1ncnc1[C@@H]1CCCC(=O)C1 306735683 345583107 /nfs/dbraw/zinc/58/31/07/345583107.db2.gz WLYZOUSYCGELEB-MRVPVSSYSA-N 0 0 193.250 1.525 10 0 ADAERN CCC1(Cn2ccncc2=O)CCC1 306736581 345583836 /nfs/dbraw/zinc/58/38/36/345583836.db2.gz XRLHIHYBQAWGPJ-UHFFFAOYSA-N 0 0 192.262 1.824 10 0 ADAERN CC(=O)O[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 306738147 345585052 /nfs/dbraw/zinc/58/50/52/345585052.db2.gz AHTNHLGMJQGPDY-XHNCKOQMSA-N 0 0 184.235 1.363 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1C1CCC1 306741791 345586227 /nfs/dbraw/zinc/58/62/27/345586227.db2.gz DYYYZTPFPHKLMY-DTWKUNHWSA-N 0 0 167.252 1.557 10 0 ADAERN CC[C@@H]1C(=O)C[C@H]1c1ccncn1 306725457 345576000 /nfs/dbraw/zinc/57/60/00/345576000.db2.gz XMEKXMDFFSROIZ-JGVFFNPUSA-N 0 0 176.219 1.559 10 0 ADAERN C[C@@H]1SCC[C@]12CNC(=O)[C@H]2C 306727775 345577127 /nfs/dbraw/zinc/57/71/27/345577127.db2.gz AZCUDYYGIBMJHQ-BKPPORCPSA-N 0 0 185.292 1.264 10 0 ADAERN CC[C@@H]1C[C@H]1[C@@H](O)C1CCOCC1 306728029 345577726 /nfs/dbraw/zinc/57/77/26/345577726.db2.gz JPHODPNWZCSCNO-IEBDPFPHSA-N 0 0 184.279 1.820 10 0 ADAERN Oc1cncc(-c2cscn2)c1 306751175 345591760 /nfs/dbraw/zinc/59/17/60/345591760.db2.gz NFJYCXKUZRBZOV-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN CCc1nc2cc(C)[nH]c2c(=O)[nH]1 306754680 345592768 /nfs/dbraw/zinc/59/27/68/345592768.db2.gz KJWJRKBBYWMMTD-UHFFFAOYSA-N 0 0 177.207 1.534 10 0 ADAERN COc1ccc([C@@H](C)NN)s1 306756423 345593693 /nfs/dbraw/zinc/59/36/93/345593693.db2.gz RHZHUMFAAOZHLA-RXMQYKEDSA-N 0 0 172.253 1.281 10 0 ADAERN CC(C)[C@H]1NC(=O)[C@H]1C1CCCC1 306756675 345593726 /nfs/dbraw/zinc/59/37/26/345593726.db2.gz RSFZACIIQWLVCQ-VHSXEESVSA-N 0 0 181.279 1.947 10 0 ADAERN NC(=O)N1CCS[C@@H]2CCC[C@@H]21 306757213 345594041 /nfs/dbraw/zinc/59/40/41/345594041.db2.gz MZCOKEZBPWSBLD-NKWVEPMBSA-N 0 0 186.280 1.035 10 0 ADAERN Cc1cc(N)cc(NCCF)c1 306759802 345595950 /nfs/dbraw/zinc/59/59/50/345595950.db2.gz VWUPTSRLALLINS-UHFFFAOYSA-N 0 0 168.215 1.959 10 0 ADAERN C[C@H]1CCN(c2ncc[nH]2)[C@@H]1C 306759398 345596215 /nfs/dbraw/zinc/59/62/15/345596215.db2.gz VDJODNAVUZHBLJ-JGVFFNPUSA-N 0 0 165.240 1.644 10 0 ADAERN Cc1cc(F)cc(C(N)=O)c1Cl 306761638 345597335 /nfs/dbraw/zinc/59/73/35/345597335.db2.gz XFYWNTDDGKWQIX-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN CC(C)Cn1nccc1NC1COC1 306762675 345598528 /nfs/dbraw/zinc/59/85/28/345598528.db2.gz DVCIUZCSBBXTBE-UHFFFAOYSA-N 0 0 195.266 1.350 10 0 ADAERN CC[C@H](C)Nc1ccc2nccn2n1 306763925 345599841 /nfs/dbraw/zinc/59/98/41/345599841.db2.gz GSAKKWLWWKGPKQ-QMMMGPOBSA-N 0 0 190.250 1.940 10 0 ADAERN CC[C@@H]1Cn2cccc2C(=O)N1 306765804 345600360 /nfs/dbraw/zinc/60/03/60/345600360.db2.gz WBQVNZJKWBWJRS-SSDOTTSWSA-N 0 0 164.208 1.010 10 0 ADAERN C[C@@H](c1nc(N)n[nH]1)C(C)(C)C 306765898 345600419 /nfs/dbraw/zinc/60/04/19/345600419.db2.gz BEJHUHQRLCJPNB-YFKPBYRVSA-N 0 0 168.244 1.537 10 0 ADAERN COC(=O)Nc1cnccc1SC 306767581 345602336 /nfs/dbraw/zinc/60/23/36/345602336.db2.gz YGOGXOFWCKSRMK-UHFFFAOYSA-N 0 0 198.247 1.982 10 0 ADAERN C[C@@H]1CSC[C@@]12CC(=O)N[C@@H]2C 306771080 345604129 /nfs/dbraw/zinc/60/41/29/345604129.db2.gz GFHLMXKAQURVME-BHNWBGBOSA-N 0 0 185.292 1.264 10 0 ADAERN C[C@H]1C[C@@H](C)N1Cc1ncccn1 306779587 345609072 /nfs/dbraw/zinc/60/90/72/345609072.db2.gz XPJGLNBLWORXNS-DTORHVGOSA-N 0 0 177.251 1.459 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1cccn1C 306779848 345609174 /nfs/dbraw/zinc/60/91/74/345609174.db2.gz ZGVFZECSBWFWQP-YUMQZZPRSA-N 0 0 178.235 1.163 10 0 ADAERN c1c[nH]c(CN2C[C@H]3CCC[C@H]32)n1 306781637 345610011 /nfs/dbraw/zinc/61/00/11/345610011.db2.gz DZXKORGBCGRQEM-RKDXNWHRSA-N 0 0 177.251 1.394 10 0 ADAERN c1c[nH]c(CN2C[C@@H]3CCC[C@@H]32)n1 306781630 345610287 /nfs/dbraw/zinc/61/02/87/345610287.db2.gz DZXKORGBCGRQEM-IUCAKERBSA-N 0 0 177.251 1.394 10 0 ADAERN O=C(c1ccccn1)c1cscn1 306781857 345611036 /nfs/dbraw/zinc/61/10/36/345611036.db2.gz JRXCSNVTNCTWRY-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN CC1([C@H](N)c2ncon2)CCCC1 306783155 345611300 /nfs/dbraw/zinc/61/13/00/345611300.db2.gz LBCIXADHHKGHBM-SSDOTTSWSA-N 0 0 181.239 1.650 10 0 ADAERN Cc1cncc(NC2CSC2)c1 306783148 345611326 /nfs/dbraw/zinc/61/13/26/345611326.db2.gz GDLIXRBYWCTYOM-UHFFFAOYSA-N 0 0 180.276 1.917 10 0 ADAERN CC1([C@@H](N)c2ncon2)CCCC1 306783158 345611504 /nfs/dbraw/zinc/61/15/04/345611504.db2.gz LBCIXADHHKGHBM-ZETCQYMHSA-N 0 0 181.239 1.650 10 0 ADAERN CC(C)NC(=O)Nc1csnn1 306785709 345613338 /nfs/dbraw/zinc/61/33/38/345613338.db2.gz JZVGGNSEUIHFJC-UHFFFAOYSA-N 0 0 186.240 1.068 10 0 ADAERN O[C@H]1C=C(c2cscn2)CC1 306785531 345613351 /nfs/dbraw/zinc/61/33/51/345613351.db2.gz NRYUJUGPQRYSRH-SSDOTTSWSA-N 0 0 167.233 1.681 10 0 ADAERN CC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 306785723 345613352 /nfs/dbraw/zinc/61/33/52/345613352.db2.gz OEXDWDXHCUOIDQ-DJLDLDEBSA-N 0 0 153.225 1.311 10 0 ADAERN COC(=O)N1CCc2ncccc21 306785510 345613360 /nfs/dbraw/zinc/61/33/60/345613360.db2.gz JPUZIGCEMCCXOI-UHFFFAOYSA-N 0 0 178.191 1.211 10 0 ADAERN Cn1ccc(C[C@@](C)(O)C2CCC2)n1 306795087 345619742 /nfs/dbraw/zinc/61/97/42/345619742.db2.gz GHKCTUWAGODTFD-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1Cc1cnsn1 306800798 345623016 /nfs/dbraw/zinc/62/30/16/345623016.db2.gz PKOMQGKXAUNZOC-NKWVEPMBSA-N 0 0 196.275 1.696 10 0 ADAERN O=c1nc(-c2ccsn2)cc[nH]1 306805304 345626189 /nfs/dbraw/zinc/62/61/89/345626189.db2.gz ZXAAFSGPKYKTIO-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cc1cocc1C(=O)c1cnns1 306810599 345629816 /nfs/dbraw/zinc/62/98/16/345629816.db2.gz UUODEDREZGCKGN-UHFFFAOYSA-N 0 0 194.215 1.671 10 0 ADAERN Cc1cocc1C(=O)C1(N)CC1 306810279 345629916 /nfs/dbraw/zinc/62/99/16/345629916.db2.gz UDVJJGAQVXJMKA-UHFFFAOYSA-N 0 0 165.192 1.262 10 0 ADAERN C[S@@](=O)Nc1c(N)cccc1F 306811208 345630194 /nfs/dbraw/zinc/63/01/94/345630194.db2.gz WHIRIDFUXNWQCU-GFCCVEGCSA-N 0 0 188.227 1.113 10 0 ADAERN CC(C)[C@H]1NC(=O)[C@@H]1C(C)(C)C 306811231 345630197 /nfs/dbraw/zinc/63/01/97/345630197.db2.gz WJSNBPCNDHXKER-HTQZYQBOSA-N 0 0 169.268 1.803 10 0 ADAERN Cc1c(N)cccc1N[S@@](C)=O 306811909 345630929 /nfs/dbraw/zinc/63/09/29/345630929.db2.gz XUOCYBXYKQOQEW-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN C[S@@](=O)Nc1cc(Cl)ccn1 306812065 345630951 /nfs/dbraw/zinc/63/09/51/345630951.db2.gz YDJRYCXGANEPRU-LLVKDONJSA-N 0 0 190.655 1.440 10 0 ADAERN CCc1c[nH]c(N2CC[C@@H](OC)C2)n1 306812306 345630969 /nfs/dbraw/zinc/63/09/69/345630969.db2.gz YUPIWHQCCQCEBX-SECBINFHSA-N 0 0 195.266 1.197 10 0 ADAERN C[S@](=O)Nc1cc(Cl)ccn1 306812066 345630972 /nfs/dbraw/zinc/63/09/72/345630972.db2.gz YDJRYCXGANEPRU-NSHDSACASA-N 0 0 190.655 1.440 10 0 ADAERN Cc1c(N)cccc1N[S@](C)=O 306811910 345630975 /nfs/dbraw/zinc/63/09/75/345630975.db2.gz XUOCYBXYKQOQEW-LBPRGKRZSA-N 0 0 184.264 1.283 10 0 ADAERN C=CC1=C[C@H](O)C[C@](C)(O)C1 306812345 345630982 /nfs/dbraw/zinc/63/09/82/345630982.db2.gz YYVUSFIKLGPIHT-DTWKUNHWSA-N 0 0 154.209 1.005 10 0 ADAERN CSC[C@H](O)c1cocc1C 306812423 345630985 /nfs/dbraw/zinc/63/09/85/345630985.db2.gz ZDXBOKBYFLFTIA-QMMMGPOBSA-N 0 0 172.249 1.984 10 0 ADAERN Cc1ccc(NC2CN(C)C2)nc1 306812127 345630994 /nfs/dbraw/zinc/63/09/94/345630994.db2.gz YIVJDTAEHWIXOY-UHFFFAOYSA-N 0 0 177.251 1.116 10 0 ADAERN Cc1cc(N)nnc1[C@H]1CC1(C)C 306788149 345614922 /nfs/dbraw/zinc/61/49/22/345614922.db2.gz WULDBIQVHPRMPD-SSDOTTSWSA-N 0 0 177.251 1.881 10 0 ADAERN O[C@@H](C1=COCC1)c1ccccn1 306789006 345615754 /nfs/dbraw/zinc/61/57/54/345615754.db2.gz SRGCLPUMMDDKLJ-JTQLQIEISA-N 0 0 177.203 1.419 10 0 ADAERN Nc1cc(Cl)c(F)c(F)c1O 306830142 345644089 /nfs/dbraw/zinc/64/40/89/345644089.db2.gz IRWWGORDINSLNZ-UHFFFAOYSA-N 0 0 179.553 1.906 10 0 ADAERN Cc1nnc([C@@]2(C)C[C@H]2F)[nH]1 306833154 345645797 /nfs/dbraw/zinc/64/57/97/345645797.db2.gz NMDMAVKYYUJYQT-VDTYLAMSSA-N 0 0 155.176 1.113 10 0 ADAERN CC(=O)N[C@@H](C)c1ncccc1F 306833192 345645850 /nfs/dbraw/zinc/64/58/50/345645850.db2.gz PLQNNPZBPOTWDN-LURJTMIESA-N 0 0 182.198 1.418 10 0 ADAERN Cc1nnc([C@]2(C)C[C@@H]2F)[nH]1 306833151 345645869 /nfs/dbraw/zinc/64/58/69/345645869.db2.gz NMDMAVKYYUJYQT-CAHLUQPWSA-N 0 0 155.176 1.113 10 0 ADAERN Nc1ccc(C(F)(F)F)c(CO)n1 306815276 345632320 /nfs/dbraw/zinc/63/23/20/345632320.db2.gz BJOULUHPTHNCGJ-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN FC[C@@H](c1ccco1)N1CCOCC1 306815072 345632335 /nfs/dbraw/zinc/63/23/35/345632335.db2.gz COHSUQHUZYTDNG-VIFPVBQESA-N 0 0 199.225 1.622 10 0 ADAERN CCn1ncnc1-c1ccccc1O 306815687 345632349 /nfs/dbraw/zinc/63/23/49/345632349.db2.gz CZOQKLNZNSYHEE-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN O=c1cc(C2=CCCC2)nc[nH]1 306815662 345632354 /nfs/dbraw/zinc/63/23/54/345632354.db2.gz BNYZEZZMVULSIV-UHFFFAOYSA-N 0 0 162.192 1.750 10 0 ADAERN CCC1(CC)CNC(=O)[C@@H]1C 306816771 345632960 /nfs/dbraw/zinc/63/29/60/345632960.db2.gz BHSWEWVQVGEJOG-ZETCQYMHSA-N 0 0 155.241 1.559 10 0 ADAERN CS[C@H](C)C(=O)N1CC=CCC1 306816553 345632969 /nfs/dbraw/zinc/63/29/69/345632969.db2.gz CEEUMLYSWJCSBQ-MRVPVSSYSA-N 0 0 185.292 1.526 10 0 ADAERN CC1(C)CN(c2ncccc2N)C1 306816742 345632973 /nfs/dbraw/zinc/63/29/73/345632973.db2.gz CHVWTWXYRBHEMF-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@H]2C[C@H]21 306817496 345633582 /nfs/dbraw/zinc/63/35/82/345633582.db2.gz DVUJKDUBPILUHA-IQJOONFLSA-N 0 0 197.278 1.628 10 0 ADAERN Cc1ncc(-c2cccnc2N)n1C 306819682 345634847 /nfs/dbraw/zinc/63/48/47/345634847.db2.gz HJSFHOUCKSIMLJ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nc(CC2CCC2)ncc1N 306821316 345636425 /nfs/dbraw/zinc/63/64/25/345636425.db2.gz OHVLONCKVNKXLN-UHFFFAOYSA-N 0 0 177.251 1.710 10 0 ADAERN Cc1nc(C)c(NC2CC2)nc1C 306823508 345638443 /nfs/dbraw/zinc/63/84/43/345638443.db2.gz TXXUHXMQSDIMMF-UHFFFAOYSA-N 0 0 177.251 1.976 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)CNC(=O)CO2 306852800 345658657 /nfs/dbraw/zinc/65/86/57/345658657.db2.gz SIPIGCWPWKYAJL-YWVKMMECSA-N 0 0 197.278 1.328 10 0 ADAERN CC(C)(C)[C@@H]1C(=O)N[C@H]1C1CC1 306853534 345658663 /nfs/dbraw/zinc/65/86/63/345658663.db2.gz TXEWFNBPLFVITB-YUMQZZPRSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1CC[C@]2(CNC(=O)CO2)C[C@H]1C 306852797 345658681 /nfs/dbraw/zinc/65/86/81/345658681.db2.gz SIPIGCWPWKYAJL-FXPVBKGRSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@]1(c2cc(N)no2)C[C@@H]1F 306853665 345658694 /nfs/dbraw/zinc/65/86/94/345658694.db2.gz UOADMCXXEGZAMF-FFWSUHOLSA-N 0 0 156.160 1.256 10 0 ADAERN CC[C@H](O)[C@@H](C)Nc1cncc(N)c1 306859110 345663001 /nfs/dbraw/zinc/66/30/01/345663001.db2.gz CSUFGBPXROXBAG-XCBNKYQSSA-N 0 0 195.266 1.235 10 0 ADAERN Cc1ncc([C@H]2CCCC2=O)n1C 306860294 345663644 /nfs/dbraw/zinc/66/36/44/345663644.db2.gz DQFLSESVXNMKFM-MRVPVSSYSA-N 0 0 178.235 1.565 10 0 ADAERN C[C@@H](NN)C(C)(C)C(C)(C)C 306860563 345663978 /nfs/dbraw/zinc/66/39/78/345663978.db2.gz DYASANFHJLEOPV-SSDOTTSWSA-N 0 0 158.289 1.911 10 0 ADAERN N[C@@H](c1ccns1)c1cnns1 306864866 345666850 /nfs/dbraw/zinc/66/68/50/345666850.db2.gz LTXYNCIEFKDOFF-LURJTMIESA-N 0 0 198.276 1.043 10 0 ADAERN COc1cccnc1[C@]1(O)CC[C@H]1C 306864825 345666862 /nfs/dbraw/zinc/66/68/62/345666862.db2.gz LQHSKFTVIIHWHQ-KCJUWKMLSA-N 0 0 193.246 1.708 10 0 ADAERN Cc1c[nH]c(N2CCS[C@H](C)C2)n1 306864532 345666872 /nfs/dbraw/zinc/66/68/72/345666872.db2.gz LIGOSNQONYEPCB-MRVPVSSYSA-N 0 0 197.307 1.660 10 0 ADAERN COc1cccnc1[C@@]1(O)CC[C@@H]1C 306864824 345666874 /nfs/dbraw/zinc/66/68/74/345666874.db2.gz LQHSKFTVIIHWHQ-GZMMTYOYSA-N 0 0 193.246 1.708 10 0 ADAERN Cc1cc(CCNN)cs1 306864515 345666880 /nfs/dbraw/zinc/66/68/80/345666880.db2.gz KPYYIQOHGYKBCY-UHFFFAOYSA-N 0 0 156.254 1.062 10 0 ADAERN C[C@@H]1CN(C(N)=S)[C@@H](C)[C@@H]1C 306865788 345667432 /nfs/dbraw/zinc/66/74/32/345667432.db2.gz MNUVFYHMFZPRDN-QYNIQEEDSA-N 0 0 172.297 1.206 10 0 ADAERN C[C@H]1C[C@@H](C)N1Cc1nccn1C 306869234 345669489 /nfs/dbraw/zinc/66/94/89/345669489.db2.gz SLCINOWKSBFLJY-DTORHVGOSA-N 0 0 179.267 1.403 10 0 ADAERN C[C@H]1C[C@@H]1NCc1cnsn1 306869126 345669492 /nfs/dbraw/zinc/66/94/92/345669492.db2.gz ROOYBQVOMMNFMR-FSPLSTOPSA-N 0 0 169.253 1.036 10 0 ADAERN C=C(Cl)C(=O)NCC1CCC1 306869268 345669496 /nfs/dbraw/zinc/66/94/96/345669496.db2.gz SNLUCVSEGIJPGH-UHFFFAOYSA-N 0 0 173.643 1.655 10 0 ADAERN C[C@@H]1C[C@H]1NCc1cnsn1 306869127 345669504 /nfs/dbraw/zinc/66/95/04/345669504.db2.gz ROOYBQVOMMNFMR-IYSWYEEDSA-N 0 0 169.253 1.036 10 0 ADAERN C[C@H]1C[C@H](C)N1Cc1nccn1C 306869235 345669600 /nfs/dbraw/zinc/66/96/00/345669600.db2.gz SLCINOWKSBFLJY-IUCAKERBSA-N 0 0 179.267 1.403 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@]12CCSC2 306871256 345670567 /nfs/dbraw/zinc/67/05/67/345670567.db2.gz WVJAFMLTVDNKRU-BKPPORCPSA-N 0 0 185.292 1.264 10 0 ADAERN O=C(C[C@H]1CCOC1)c1ccsn1 306871460 345670619 /nfs/dbraw/zinc/67/06/19/345670619.db2.gz XHHPPMSSCKORGO-SSDOTTSWSA-N 0 0 197.259 1.752 10 0 ADAERN C[C@](O)(c1ccoc1)c1ccccn1 306874682 345672329 /nfs/dbraw/zinc/67/23/29/345672329.db2.gz GIWJTNVDPSVIBG-NSHDSACASA-N 0 0 189.214 1.930 10 0 ADAERN S=C(NC1CC1)N1CCC2(CC2)C1 306878655 345675554 /nfs/dbraw/zinc/67/55/54/345675554.db2.gz DBGNDXKBLBZPBH-UHFFFAOYSA-N 0 0 196.319 1.509 10 0 ADAERN C[C@]1(C(=O)Nc2ncc[nH]2)C[C@H]1F 306878799 345675562 /nfs/dbraw/zinc/67/55/62/345675562.db2.gz FRMYSCSWHNDALD-XRGYYRRGSA-N 0 0 183.186 1.096 10 0 ADAERN CC(C)(O)CCC1CCOCC1 306879666 345676132 /nfs/dbraw/zinc/67/61/32/345676132.db2.gz JYAGOFZYODVXNP-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN FCCNc1ccc2nccn2n1 306879358 345676141 /nfs/dbraw/zinc/67/61/41/345676141.db2.gz DVDPXUFQJKOKCV-UHFFFAOYSA-N 0 0 180.186 1.111 10 0 ADAERN O=C1CSc2ncc(F)cc2N1 306879747 345676142 /nfs/dbraw/zinc/67/61/42/345676142.db2.gz FFDSULZWNIJZNP-UHFFFAOYSA-N 0 0 184.195 1.265 10 0 ADAERN O=C(Nc1cc[nH]n1)C1(F)CCC1 306882137 345678979 /nfs/dbraw/zinc/67/89/79/345678979.db2.gz MWGIYIMHUPNMIJ-UHFFFAOYSA-N 0 0 183.186 1.240 10 0 ADAERN Cn1cnc(C(=O)[C@H]2CCCS2)c1 306881980 345678980 /nfs/dbraw/zinc/67/89/80/345678980.db2.gz IHNGCVXIZUYBGH-MRVPVSSYSA-N 0 0 196.275 1.498 10 0 ADAERN CC(C)[C@]1(C)[C@@H](C)NC(=O)[C@@H]1C 306882848 345679768 /nfs/dbraw/zinc/67/97/68/345679768.db2.gz JIUNFUVCSVTERM-XKSSXDPKSA-N 0 0 169.268 1.803 10 0 ADAERN Nc1cncc(NCCF)c1 306886363 345682438 /nfs/dbraw/zinc/68/24/38/345682438.db2.gz SLDIHCKKNHVIES-UHFFFAOYSA-N 0 0 155.176 1.045 10 0 ADAERN CC1(C)CN(c2cnc(Cl)cn2)C1 306891882 345688337 /nfs/dbraw/zinc/68/83/37/345688337.db2.gz HVQBNXUNEZCDRT-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN Nc1cc(CO)nc(C(F)(F)F)c1 306894049 345688899 /nfs/dbraw/zinc/68/88/99/345688899.db2.gz IYCLTJFDAXLNED-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN 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/nfs/dbraw/zinc/69/59/36/345695936.db2.gz UEPXPUGTYSURSO-XVKPBYJWSA-N 0 0 195.287 1.772 10 0 ADAERN C[C@H]1C(=O)NC[C@@]1(C)c1cccs1 306913792 345695939 /nfs/dbraw/zinc/69/59/39/345695939.db2.gz UEPXPUGTYSURSO-OIBJUYFYSA-N 0 0 195.287 1.772 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C1=CCCSC1 306925045 345701076 /nfs/dbraw/zinc/70/10/76/345701076.db2.gz LDCLUUIKNFWCBD-APPZFPTMSA-N 0 0 197.303 1.574 10 0 ADAERN CCNc1cc[n+]([O-])cc1C 306924692 345701077 /nfs/dbraw/zinc/70/10/77/345701077.db2.gz KFZSTBXHIOVJQS-UHFFFAOYSA-N 0 0 152.197 1.060 10 0 ADAERN CC(C)C[C@@H]1NC(=O)[C@H](C)[C@H]1C 306892715 345688320 /nfs/dbraw/zinc/68/83/20/345688320.db2.gz XNYMOSAJOBDNHA-HLTSFMKQSA-N 0 0 169.268 1.803 10 0 ADAERN O=C(N1C[C@@H]2CCC[C@H]21)C(F)(F)F 306927518 345702646 /nfs/dbraw/zinc/70/26/46/345702646.db2.gz UNGADNLRUXKDSS-NTSWFWBYSA-N 0 0 193.168 1.560 10 0 ADAERN CC(C)(C)C(C)(C)n1cc[nH]c1=O 306927410 345702647 /nfs/dbraw/zinc/70/26/47/345702647.db2.gz UEDLCZAKXVPCJM-UHFFFAOYSA-N 0 0 182.267 1.958 10 0 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C[C@@H]1C[C@@H]1c1csc(=NN)[nH]1 307035039 345768444 /nfs/dbraw/zinc/76/84/44/345768444.db2.gz UOMWXGNRFNMHMO-UHNVWZDZSA-N 0 0 169.253 1.552 10 0 ADAERN CC(C)(n1cnc(N)n1)C(F)(F)F 307035085 345768453 /nfs/dbraw/zinc/76/84/53/345768453.db2.gz UUKFKNNAPRJWFM-UHFFFAOYSA-N 0 0 194.160 1.158 10 0 ADAERN C[C@H]1C[C@H]1c1csc(=NN)[nH]1 307035037 345768510 /nfs/dbraw/zinc/76/85/10/345768510.db2.gz UOMWXGNRFNMHMO-CRCLSJGQSA-N 0 0 169.253 1.552 10 0 ADAERN CC(C)[C@@H](C)c1nccc(=O)[nH]1 307039007 345771115 /nfs/dbraw/zinc/77/11/15/345771115.db2.gz GSFWBKJDNMTXCA-SSDOTTSWSA-N 0 0 166.224 1.942 10 0 ADAERN CC(C)[C@H](C)c1nccc(=O)[nH]1 307039008 345771263 /nfs/dbraw/zinc/77/12/63/345771263.db2.gz GSFWBKJDNMTXCA-ZETCQYMHSA-N 0 0 166.224 1.942 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1cscn1 307039311 345771658 /nfs/dbraw/zinc/77/16/58/345771658.db2.gz QBXRNSWWIQNLRZ-HZGVNTEJSA-N 0 0 197.259 1.751 10 0 ADAERN CC(C)[S@](=O)Nc1ccc(O)cc1 307040074 345771757 /nfs/dbraw/zinc/77/17/57/345771757.db2.gz 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/nfs/dbraw/zinc/77/21/50/345772150.db2.gz MBUSVWMQTQQFIU-SECBINFHSA-N 0 0 195.262 1.097 10 0 ADAERN Cc1nn(C)cc1C(=O)C(C)(C)F 307042995 345774112 /nfs/dbraw/zinc/77/41/12/345774112.db2.gz TUDASFIJWZMNEH-UHFFFAOYSA-N 0 0 184.214 1.659 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Nc1cocn1 307051109 345779304 /nfs/dbraw/zinc/77/93/04/345779304.db2.gz ILAHQIZBVVAJTE-WDSKDSINSA-N 0 0 181.195 1.205 10 0 ADAERN C[C@H]1CCN(c2nc(N)ns2)[C@@H]1C 307053077 345780689 /nfs/dbraw/zinc/78/06/89/345780689.db2.gz VNTKPQQCMJLXJP-NTSWFWBYSA-N 0 0 198.295 1.355 10 0 ADAERN Cc1nc(-c2cn(C)cn2)ccc1N 307059602 345785006 /nfs/dbraw/zinc/78/50/06/345785006.db2.gz HYDJYAKGMAIIRL-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@H](c1cccn1C)N1CCOCC1 307060310 345785725 /nfs/dbraw/zinc/78/57/25/345785725.db2.gz JFNDRZJNAHQNTE-SNVBAGLBSA-N 0 0 194.278 1.418 10 0 ADAERN C[C@@H]([C@@H]1CNC(=O)CO1)C(C)(C)C 307060125 345785734 /nfs/dbraw/zinc/78/57/34/345785734.db2.gz DALPWMJJSJWHKH-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN CNC(=O)Oc1cc(F)ccc1N 307061504 345786285 /nfs/dbraw/zinc/78/62/85/345786285.db2.gz FJUIETVJHDPMJR-UHFFFAOYSA-N 0 0 184.170 1.126 10 0 ADAERN Cc1cccc(N[S@@](C)=O)c1O 307068031 345790431 /nfs/dbraw/zinc/79/04/31/345790431.db2.gz LYWFIMOTMPTWGF-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN CC[C@H]1NC(=O)[C@@H](C)C12CC(C)C2 307070790 345792253 /nfs/dbraw/zinc/79/22/53/345792253.db2.gz VVFVAZJJPFSXRS-VCZAYRLQSA-N 0 0 181.279 1.947 10 0 ADAERN C/C(=C\[C@@H]1CCC[NH2+]C1)C(=O)[O-] 307071238 345792875 /nfs/dbraw/zinc/79/28/75/345792875.db2.gz WVDFRTRJJDLEFB-IVGLGHLBSA-N 0 0 169.224 1.017 10 0 ADAERN C/C(=C\[C@H]1CCC[NH2+]C1)C(=O)[O-] 307071239 345792881 /nfs/dbraw/zinc/79/28/81/345792881.db2.gz WVDFRTRJJDLEFB-WVXIBAHESA-N 0 0 169.224 1.017 10 0 ADAERN CC(C)(F)[C@@H](O)c1ccc[nH]1 307071764 345792882 /nfs/dbraw/zinc/79/28/82/345792882.db2.gz XNTKPHYAGJHLFG-ZETCQYMHSA-N 0 0 157.188 1.796 10 0 ADAERN O[C@@H](c1ccsn1)c1nccs1 307072230 345793537 /nfs/dbraw/zinc/79/35/37/345793537.db2.gz YHFBLAJKGUGDFW-LURJTMIESA-N 0 0 198.272 1.681 10 0 ADAERN Nc1ncn(C[C@@H]2CCCCS2)n1 307072661 345793538 /nfs/dbraw/zinc/79/35/38/345793538.db2.gz IRVDUMYZNBRJNL-ZETCQYMHSA-N 0 0 198.295 1.146 10 0 ADAERN O=c1cc2c(n[nH]1)C1CCC2CC1 307073938 345794569 /nfs/dbraw/zinc/79/45/69/345794569.db2.gz MTFJIKCWSYSSRI-UHFFFAOYSA-N 0 0 176.219 1.525 10 0 ADAERN CC[C@@H]1CC[N@@H+]1Cc1ccnn1C 307075713 345795853 /nfs/dbraw/zinc/79/58/53/345795853.db2.gz FHEJXQXIDVNEEJ-SECBINFHSA-N 0 0 179.267 1.404 10 0 ADAERN CC(C)=C(F)C(=O)N1CCCCO1 307082841 345799956 /nfs/dbraw/zinc/79/99/56/345799956.db2.gz KDCJFLLGFZGLTF-UHFFFAOYSA-N 0 0 187.214 1.804 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1C(C)(C)C 307085260 345801283 /nfs/dbraw/zinc/80/12/83/345801283.db2.gz XIBAZDXMEDZIMX-HTQZYQBOSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1C(C)(C)C 307085264 345801298 /nfs/dbraw/zinc/80/12/98/345801298.db2.gz XIBAZDXMEDZIMX-SFYZADRCSA-N 0 0 169.268 1.803 10 0 ADAERN CN(C)c1noc(-c2cc[nH]c2)n1 307085149 345801314 /nfs/dbraw/zinc/80/13/14/345801314.db2.gz XBPDUWNZSGQHIU-UHFFFAOYSA-N 0 0 178.195 1.131 10 0 ADAERN C[C@H](Nc1cncc(N)c1)C(F)F 307108614 345814305 /nfs/dbraw/zinc/81/43/05/345814305.db2.gz GMBUKNQTQXYSSN-YFKPBYRVSA-N 0 0 187.193 1.729 10 0 ADAERN CC1(C)CC(N2CN=NC2=S)C1 307113774 345817459 /nfs/dbraw/zinc/81/74/59/345817459.db2.gz RYFBDKMYRVGULA-UHFFFAOYSA-N 0 0 183.280 1.928 10 0 ADAERN Cc1cc(CC(N)=S)cs1 307117489 345819482 /nfs/dbraw/zinc/81/94/82/345819482.db2.gz UOWNERBPJAHGBL-UHFFFAOYSA-N 0 0 171.290 1.885 10 0 ADAERN COC1CN(c2cc(N)ccc2C)C1 307122973 345822134 /nfs/dbraw/zinc/82/21/34/345822134.db2.gz NDECIPISDAJKIF-UHFFFAOYSA-N 0 0 192.262 1.412 10 0 ADAERN CN(C(=O)C1=CCC1)C1CCC1 307122630 345822369 /nfs/dbraw/zinc/82/23/69/345822369.db2.gz WICXVZRMOIMTTB-UHFFFAOYSA-N 0 0 165.236 1.718 10 0 ADAERN CC[C@H]1CCN(c2ncc[nH]2)C1 307138174 345832657 /nfs/dbraw/zinc/83/26/57/345832657.db2.gz ZAENXCYFPZWAOB-QMMMGPOBSA-N 0 0 165.240 1.646 10 0 ADAERN CC(C)(C)CNc1n[nH]c(=O)s1 307139571 345833881 /nfs/dbraw/zinc/83/38/81/345833881.db2.gz ARDDGURTSDYZLL-UHFFFAOYSA-N 0 0 187.268 1.289 10 0 ADAERN CCCn1cc([Si](C)(C)C)cn1 307085882 345801682 /nfs/dbraw/zinc/80/16/82/345801682.db2.gz XYPGITPZMKGRBI-UHFFFAOYSA-N 0 0 182.343 1.838 10 0 ADAERN O=C(CN1CCC1)c1ccsc1 307088389 345803013 /nfs/dbraw/zinc/80/30/13/345803013.db2.gz MTSQFFXHOOEFLB-UHFFFAOYSA-N 0 0 181.260 1.637 10 0 ADAERN CCC1(Nc2cccnn2)CC1 307089045 345803656 /nfs/dbraw/zinc/80/36/56/345803656.db2.gz UNQLSPPGFKVMMD-UHFFFAOYSA-N 0 0 163.224 1.831 10 0 ADAERN Cc1nc(-c2ncc[nH]c2=O)cs1 307092932 345805854 /nfs/dbraw/zinc/80/58/54/345805854.db2.gz ZMOLOQZCXNIVHW-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@]1(C(=O)c2cnccn2)C[C@H]1F 307092947 345805856 /nfs/dbraw/zinc/80/58/56/345805856.db2.gz SHQGGDSZVFCDKC-APPZFPTMSA-N 0 0 180.182 1.407 10 0 ADAERN Cc1cnn(C)c1[C@H]1CCC(=O)C1 307092763 345805867 /nfs/dbraw/zinc/80/58/67/345805867.db2.gz BTDQJDPYQLHPKT-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN Cc1ncc(N[C@@H](C)C(F)F)cn1 307097647 345808021 /nfs/dbraw/zinc/80/80/21/345808021.db2.gz DLNPMEYBUDZEJE-YFKPBYRVSA-N 0 0 187.193 1.851 10 0 ADAERN C[C@H]1OCC[C@H]1Sc1ccncn1 307100798 345809671 /nfs/dbraw/zinc/80/96/71/345809671.db2.gz UCWJCCFARKJZQC-HTQZYQBOSA-N 0 0 196.275 1.746 10 0 ADAERN C[C@H]1OCC[C@@H]1Sc1ccncn1 307100800 345809672 /nfs/dbraw/zinc/80/96/72/345809672.db2.gz UCWJCCFARKJZQC-SFYZADRCSA-N 0 0 196.275 1.746 10 0 ADAERN C[C@@H]1OCC[C@H]1Sc1ccncn1 307100799 345809677 /nfs/dbraw/zinc/80/96/77/345809677.db2.gz UCWJCCFARKJZQC-JGVFFNPUSA-N 0 0 196.275 1.746 10 0 ADAERN O=C(C=C1CCCC1)N1CCCO1 307106476 345813187 /nfs/dbraw/zinc/81/31/87/345813187.db2.gz YLYHMIMWBLUYKP-UHFFFAOYSA-N 0 0 181.235 1.651 10 0 ADAERN C[C@H]1CC[C@@H](C)N(C(=O)CC(N)=O)C1 335708348 204021389 /nfs/dbraw/zinc/02/13/89/204021389.db2.gz WLBJKZICMCKEGT-JGVFFNPUSA-N 0 0 198.266 1.559 10 0 ADAERN C[C@H]1CC[C@@H](C)CN1C(=O)CC(N)=O 335708349 204021398 /nfs/dbraw/zinc/02/13/98/204021398.db2.gz WLBJKZICMCKEGT-SFYZADRCSA-N 0 0 198.266 1.559 10 0 ADAERN CC1(C)COCCN1Cc1cc[nH]n1 335705039 204021512 /nfs/dbraw/zinc/02/15/12/204021512.db2.gz SGNYHSVVEGAWPX-UHFFFAOYSA-N 0 0 195.266 1.021 10 0 ADAERN CC[C@@H](C)c1cc(C(N)=O)on1 307165724 345857698 /nfs/dbraw/zinc/85/76/98/345857698.db2.gz NNGONYMONDSACF-RXMQYKEDSA-N 0 0 168.196 1.287 10 0 ADAERN Nc1ccc(F)nc1C(F)(F)F 307169422 345862390 /nfs/dbraw/zinc/86/23/90/345862390.db2.gz YEFBAUDDTYUMTF-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN Nc1c(F)cc(F)cc1NCCF 307175267 345866175 /nfs/dbraw/zinc/86/61/75/345866175.db2.gz VOBPKNUPWLVZLD-UHFFFAOYSA-N 0 0 190.168 1.928 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)Nc1ncc[nH]1 307177314 345867431 /nfs/dbraw/zinc/86/74/31/345867431.db2.gz HUCYHZDILAKIAH-RQJHMYQMSA-N 0 0 179.223 1.394 10 0 ADAERN C[C@H]1C[C@H](Nc2cnnn2C)CS1 307177909 345867960 /nfs/dbraw/zinc/86/79/60/345867960.db2.gz XTLQCQRXGGHKCF-BQBZGAKWSA-N 0 0 198.295 1.121 10 0 ADAERN Cc1c(F)cccc1[C@H](C)NN 307177973 345867966 /nfs/dbraw/zinc/86/79/66/345867966.db2.gz YBASOKNEZTWFTP-ZETCQYMHSA-N 0 0 168.215 1.658 10 0 ADAERN Cc1c(F)cccc1[C@@H](C)NN 307177972 345867968 /nfs/dbraw/zinc/86/79/68/345867968.db2.gz YBASOKNEZTWFTP-SSDOTTSWSA-N 0 0 168.215 1.658 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ccncn1 307177866 345867969 /nfs/dbraw/zinc/86/79/69/345867969.db2.gz XMWQIULXPITNCZ-YUMQZZPRSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cnnn2C)CS1 307177911 345867972 /nfs/dbraw/zinc/86/79/72/345867972.db2.gz XTLQCQRXGGHKCF-RNFRBKRXSA-N 0 0 198.295 1.121 10 0 ADAERN Cn1cccc1-c1cn[nH]c1 307180153 345869846 /nfs/dbraw/zinc/86/98/46/345869846.db2.gz JIUPJSFLYIHPAI-UHFFFAOYSA-N 0 0 147.181 1.415 10 0 ADAERN C[C@@H]1C[C@]2(CNC(=O)O2)[C@@H]1C 307179740 345869921 /nfs/dbraw/zinc/86/99/21/345869921.db2.gz ITMXLOWDHFZHBP-JKMUOGBPSA-N 0 0 155.197 1.141 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ccn(C)n1 307182107 345871029 /nfs/dbraw/zinc/87/10/29/345871029.db2.gz SYGKNYPCGWILHV-SFYZADRCSA-N 0 0 165.240 1.631 10 0 ADAERN C[C@H]1C[C@H](C)N1Cc1cc[nH]n1 307184213 345873081 /nfs/dbraw/zinc/87/30/81/345873081.db2.gz BAUZWHLELGKQFB-YUMQZZPRSA-N 0 0 165.240 1.392 10 0 ADAERN CCSCN1C(=O)CSC1=O 307142377 345835683 /nfs/dbraw/zinc/83/56/83/345835683.db2.gz DZWBPPOWAOMMPJ-UHFFFAOYSA-N 0 0 191.277 1.392 10 0 ADAERN C[C@H]1CC[C@H]1Nc1nccnc1N 307142518 345835841 /nfs/dbraw/zinc/83/58/41/345835841.db2.gz FGWMFCDSMSHZDV-NKWVEPMBSA-N 0 0 178.239 1.269 10 0 ADAERN C1CC1c1noc([C@@H]2C[C@@H]3C[C@@H]3[NH2+]2)n1 307147892 345840731 /nfs/dbraw/zinc/84/07/31/345840731.db2.gz IIFBWHGPNLIAJZ-FXQIFTODSA-N 0 0 191.234 1.370 10 0 ADAERN CCNc1cc(OC)c(F)cn1 307147610 345840786 /nfs/dbraw/zinc/84/07/86/345840786.db2.gz OOMLUGDKYWPFAE-UHFFFAOYSA-N 0 0 170.187 1.661 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)N[C@H]1C[C@H]1C 307197265 345882494 /nfs/dbraw/zinc/88/24/94/345882494.db2.gz VHYBYXJLHGSJEX-YWIQKCBGSA-N 0 0 168.240 1.102 10 0 ADAERN C[C@@]1(F)CCN(C(=O)NC2CC2)C1 307201542 345886271 /nfs/dbraw/zinc/88/62/71/345886271.db2.gz FDCZLFHQSAZUCP-SECBINFHSA-N 0 0 186.230 1.292 10 0 ADAERN CC[C@]1([C@@H]2C[C@H]2C)CNC(=O)[C@H]1C 307202379 345887336 /nfs/dbraw/zinc/88/73/36/345887336.db2.gz DTGOOUMYXRZMJH-CDLYGTGVSA-N 0 0 181.279 1.805 10 0 ADAERN OC[C@H]1C[C@H]1Nc1ncccc1Cl 307208108 345892005 /nfs/dbraw/zinc/89/20/05/345892005.db2.gz NSUQMVNJLLEDRM-HTRCEHHLSA-N 0 0 198.653 1.528 10 0 ADAERN C=CC(=O)N1C(=O)C[C@H]2CCCC[C@H]21 307209859 345893499 /nfs/dbraw/zinc/89/34/99/345893499.db2.gz PUGPKVAELNKGCJ-RKDXNWHRSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](C2CC2)C1 307211408 345894211 /nfs/dbraw/zinc/89/42/11/345894211.db2.gz NTDDEGIMICRCHU-HTQZYQBOSA-N 0 0 183.251 1.191 10 0 ADAERN CCc1nnc([C@]2(C)C[C@H]2F)[nH]1 307210930 345894232 /nfs/dbraw/zinc/89/42/32/345894232.db2.gz NFUOCRWWJHCBGK-SVGQVSJJSA-N 0 0 169.203 1.367 10 0 ADAERN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](C2CC2)C1 307211410 345894241 /nfs/dbraw/zinc/89/42/41/345894241.db2.gz NTDDEGIMICRCHU-SFYZADRCSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@]1(O)CCC[C@H]1SCCO 307211279 345894253 /nfs/dbraw/zinc/89/42/53/345894253.db2.gz SRBNGZIKLAAKEZ-SFYZADRCSA-N 0 0 176.281 1.015 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@H]1CC(=O)N1 307211426 345894259 /nfs/dbraw/zinc/89/42/59/345894259.db2.gz NTZXJNURJNDDBJ-HRDYMLBCSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H]1CC(=O)N1 307211428 345894261 /nfs/dbraw/zinc/89/42/61/345894261.db2.gz NTZXJNURJNDDBJ-VGMNWLOBSA-N 0 0 167.252 1.701 10 0 ADAERN CCc1nnc([C@@]2(C)C[C@@H]2F)[nH]1 307210931 345894290 /nfs/dbraw/zinc/89/42/90/345894290.db2.gz NFUOCRWWJHCBGK-XNCJUZBTSA-N 0 0 169.203 1.367 10 0 ADAERN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](C2CC2)C1 307211411 345894300 /nfs/dbraw/zinc/89/43/00/345894300.db2.gz NTDDEGIMICRCHU-YUMQZZPRSA-N 0 0 183.251 1.191 10 0 ADAERN CC[C@]1([C@@H]2CC2(C)C)CNC(=O)C1 307212063 345894926 /nfs/dbraw/zinc/89/49/26/345894926.db2.gz OKJLOVMATOCLBT-LDYMZIIASA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncnc2[nH]ccc12 307213999 345896253 /nfs/dbraw/zinc/89/62/53/345896253.db2.gz YYCWRLHDTZXBDZ-POYBYMJQSA-N 0 0 188.234 1.778 10 0 ADAERN CCCn1ncnc1[C@]1(C)CCC[NH2+]1 307185061 345873102 /nfs/dbraw/zinc/87/31/02/345873102.db2.gz GYULBPDLDMYJDQ-JTQLQIEISA-N 0 0 194.282 1.287 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)NC1(C)CC1 307187259 345875034 /nfs/dbraw/zinc/87/50/34/345875034.db2.gz VQVVYLDFFGUQKP-YUMQZZPRSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1CCN1C(=S)NC1CCC1 307189062 345876286 /nfs/dbraw/zinc/87/62/86/345876286.db2.gz CGPYNBIMFRNVBE-ZETCQYMHSA-N 0 0 184.308 1.508 10 0 ADAERN Cc1cocc1[C@@H](O)c1cnccn1 307191795 345877866 /nfs/dbraw/zinc/87/78/66/345877866.db2.gz BKSGQYKSMUXDJX-SNVBAGLBSA-N 0 0 190.202 1.460 10 0 ADAERN CCNc1nc(N)nc2ccsc12 307194525 345880520 /nfs/dbraw/zinc/88/05/20/345880520.db2.gz JEXOMUCGXJIREY-UHFFFAOYSA-N 0 0 194.263 1.705 10 0 ADAERN CSCCC(=O)Nc1cnoc1 307223900 345902366 /nfs/dbraw/zinc/90/23/66/345902366.db2.gz KKCRJOIVMPUWET-UHFFFAOYSA-N 0 0 186.236 1.366 10 0 ADAERN Cc1cc(C)c([C@@H](C)NN)cn1 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/nfs/dbraw/zinc/99/86/15/345998615.db2.gz MXOLTYVCOZSHER-UHFFFAOYSA-N 0 0 191.108 1.635 10 0 ADAERN Nc1nc(-c2ccoc2)ncc1F 307370673 346000058 /nfs/dbraw/zinc/00/00/58/346000058.db2.gz SKMUJOFMEPJHJN-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H]1C 307370617 346000256 /nfs/dbraw/zinc/00/02/56/346000256.db2.gz SFZGDKNAVVBNKK-PBXRRBTRSA-N 0 0 195.184 1.709 10 0 ADAERN Cc1cocc1-c1cnc[nH]c1=O 307378935 346004718 /nfs/dbraw/zinc/00/47/18/346004718.db2.gz YDKVNNUTWTVNKV-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN C[C@@H]1C[C@H](Nc2cnnn2C)[C@@H]1C 307379621 346005140 /nfs/dbraw/zinc/00/51/40/346005140.db2.gz ZCJIKQXZRDRJJT-PRJMDXOYSA-N 0 0 180.255 1.272 10 0 ADAERN CNc1nnc(SC(F)F)s1 307347519 345986147 /nfs/dbraw/zinc/98/61/47/345986147.db2.gz XSFNNAHUDMVCKN-UHFFFAOYSA-N 0 0 197.235 1.895 10 0 ADAERN CC[C@H](C)[C@H]1CNC(=O)[C@H]1C 307347478 345986148 /nfs/dbraw/zinc/98/61/48/345986148.db2.gz QDSKQDXVLJLOJZ-BIIVOSGPSA-N 0 0 155.241 1.415 10 0 ADAERN CC[C@H](C)SC1=[NH+]C[C@@H](C)N1 307348726 345986682 /nfs/dbraw/zinc/98/66/82/345986682.db2.gz YLBDNIKGEMTCRR-RQJHMYQMSA-N 0 0 172.297 1.866 10 0 ADAERN C[C@H]1NC(=O)C[C@]12CCC2(C)C 307351602 345988813 /nfs/dbraw/zinc/98/88/13/345988813.db2.gz BNXRTCBSZOVKLH-GMSGAONNSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1NC(=O)C[C@]12CCC2(C)C 307351604 345988818 /nfs/dbraw/zinc/98/88/18/345988818.db2.gz BNXRTCBSZOVKLH-OIBJUYFYSA-N 0 0 167.252 1.701 10 0 ADAERN COc1cc(F)cc(OC)c1O 307353625 345989939 /nfs/dbraw/zinc/98/99/39/345989939.db2.gz OMMBQZZEYOSTBO-UHFFFAOYSA-N 0 0 172.155 1.549 10 0 ADAERN C[C@H]1C[C@@H]1CNc1c[nH]cn1 307354395 345990417 /nfs/dbraw/zinc/99/04/17/345990417.db2.gz SGHCBCFTJNBFQH-NKWVEPMBSA-N 0 0 151.213 1.478 10 0 ADAERN CCNC(=O)NCc1csc(C)c1 307395268 346015080 /nfs/dbraw/zinc/01/50/80/346015080.db2.gz NDLYNLSDUYSCRX-UHFFFAOYSA-N 0 0 198.291 1.876 10 0 ADAERN C[C@@H]1SCC[C@H]1Nc1ccncn1 307398361 346017419 /nfs/dbraw/zinc/01/74/19/346017419.db2.gz XZTCDFMRJVPYSB-JGVFFNPUSA-N 0 0 195.291 1.783 10 0 ADAERN Cc1cc(-c2nc(N)n(C)n2)cs1 307399506 346017826 /nfs/dbraw/zinc/01/78/26/346017826.db2.gz WYRFXKDJRTZGTO-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN C[C@H]1C[C@H]1c1cc(=O)[nH]c(=O)[nH]1 307402964 346020673 /nfs/dbraw/zinc/02/06/73/346020673.db2.gz JSQBDYDNTUVDQN-CRCLSJGQSA-N 0 0 166.180 1.011 10 0 ADAERN c1nc(CNc2cnsn2)cs1 307403825 346021598 /nfs/dbraw/zinc/02/15/98/346021598.db2.gz IWMCASLFQQRHKF-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN Cc1nc([C@@H](O)c2ccc[nH]2)co1 307380269 346006047 /nfs/dbraw/zinc/00/60/47/346006047.db2.gz FNHHNBNXSPDMGO-VIFPVBQESA-N 0 0 178.191 1.393 10 0 ADAERN C[C@H]1CCC[C@@H]1n1cnc(N)n1 307386445 346008743 /nfs/dbraw/zinc/00/87/43/346008743.db2.gz KAZIJXKZSYVIJF-BQBZGAKWSA-N 0 0 166.228 1.221 10 0 ADAERN O=CNC[C@@H]1CCCC1(F)F 307390126 346011672 /nfs/dbraw/zinc/01/16/72/346011672.db2.gz RRBFJMUKCMHFOR-LURJTMIESA-N 0 0 163.167 1.168 10 0 ADAERN CCC(C)(C)[C@H]1CC(=O)N1 307390833 346011684 /nfs/dbraw/zinc/01/16/84/346011684.db2.gz UJTXFFAUASUCAA-ZCFIWIBFSA-N 0 0 141.214 1.311 10 0 ADAERN O=CNC[C@H]1CCCC1(F)F 307390129 346011727 /nfs/dbraw/zinc/01/17/27/346011727.db2.gz RRBFJMUKCMHFOR-ZCFIWIBFSA-N 0 0 163.167 1.168 10 0 ADAERN CCNC(=O)N1CC[C@H](C)[C@H](F)C1 307408291 346024967 /nfs/dbraw/zinc/02/49/67/346024967.db2.gz DYCMEUMTYVDBFM-JGVFFNPUSA-N 0 0 188.246 1.396 10 0 ADAERN CNc1ccc(OC(F)F)nn1 307409798 346026184 /nfs/dbraw/zinc/02/61/84/346026184.db2.gz NSRFVIIDRCXECK-UHFFFAOYSA-N 0 0 175.138 1.120 10 0 ADAERN CC1(C)OC[C@@H](CC2CC2)C1=O 307409676 346026185 /nfs/dbraw/zinc/02/61/85/346026185.db2.gz IMVGGSTWTYZMEU-MRVPVSSYSA-N 0 0 168.236 1.781 10 0 ADAERN CNC(=S)N[C@H]1CCCC1(F)F 307409565 346026276 /nfs/dbraw/zinc/02/62/76/346026276.db2.gz QBHSSWJKVBAVDE-YFKPBYRVSA-N 0 0 194.250 1.268 10 0 ADAERN Cc1nc(-c2n[nH]c(=O)s2)cs1 307413960 346028679 /nfs/dbraw/zinc/02/86/79/346028679.db2.gz JGMMQKHFZWVLBO-UHFFFAOYSA-N 0 0 199.260 1.263 10 0 ADAERN Cc1c[nH]c(N2CCC(C)(C)C2)n1 307421518 346031930 /nfs/dbraw/zinc/03/19/30/346031930.db2.gz HSIXRQRLFHVMEB-UHFFFAOYSA-N 0 0 179.267 1.954 10 0 ADAERN OCc1nc(F)ccc1C(F)(F)F 307422105 346032681 /nfs/dbraw/zinc/03/26/81/346032681.db2.gz BUUBSAAWQVQBQD-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN C[C@@H]1[C@@H](Nc2nc(N)ns2)C[C@H]1C 307423527 346032958 /nfs/dbraw/zinc/03/29/58/346032958.db2.gz PMKSYILXLJCANT-SRQIZXRXSA-N 0 0 198.295 1.577 10 0 ADAERN O=C1N[C@H](C2CCC2)[C@H]1C1CCC1 307435942 346039128 /nfs/dbraw/zinc/03/91/28/346039128.db2.gz OPUGPOJOXCJLKN-NXEZZACHSA-N 0 0 179.263 1.701 10 0 ADAERN CC(N=O)c1cc2c(cc1N)OCO2 307405234 346022294 /nfs/dbraw/zinc/02/22/94/346022294.db2.gz JVGWROGKQCFVRS-FEGZXCSJSA-N 0 0 194.190 1.045 10 0 ADAERN CCC(C)(C)[C@@H]1NC(=S)NC1=O 307405191 346022303 /nfs/dbraw/zinc/02/23/03/346022303.db2.gz DOUYQTKAQNWVEL-RXMQYKEDSA-N 0 0 186.280 1.207 10 0 ADAERN O=C1NCC[C@@H]1CC1CC(F)(F)C1 307405336 346022683 /nfs/dbraw/zinc/02/26/83/346022683.db2.gz DZNALOCNYHEMFN-SSDOTTSWSA-N 0 0 189.205 1.558 10 0 ADAERN Cn1cnc([C@H]2NC(C)(C)CS2)c1 307442547 346042769 /nfs/dbraw/zinc/04/27/69/346042769.db2.gz AKZTXOBOYUYYKQ-QMMMGPOBSA-N 0 0 197.307 1.534 10 0 ADAERN CC1(C)CN(c2ncc[nH]2)C1 307442561 346042776 /nfs/dbraw/zinc/04/27/76/346042776.db2.gz NTMOFDUIVVGMBR-UHFFFAOYSA-N 0 0 151.213 1.256 10 0 ADAERN O=Cc1occc1C1COC1 307444509 346043793 /nfs/dbraw/zinc/04/37/93/346043793.db2.gz CWBXHOONDHRGLD-UHFFFAOYSA-N 0 0 152.149 1.206 10 0 ADAERN CC[C@@H]1CCC[C@@]2(COCC[NH2+]2)C1 307446632 346045516 /nfs/dbraw/zinc/04/55/16/346045516.db2.gz PNWPTKUWXJGTIK-MNOVXSKESA-N 0 0 183.295 1.945 10 0 ADAERN O=C(c1ccns1)[C@H]1CCCCO1 307448839 346046477 /nfs/dbraw/zinc/04/64/77/346046477.db2.gz LMHCBGAFSLTEFF-SSDOTTSWSA-N 0 0 197.259 1.895 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)C12CCOCC2 307451003 346048180 /nfs/dbraw/zinc/04/81/80/346048180.db2.gz PMIQMBKOVOOXGH-IUCAKERBSA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@H]1NC(=O)[C@H](C)C12CCC2 307451866 346048870 /nfs/dbraw/zinc/04/88/70/346048870.db2.gz RFRVZSLCNNWKAE-JGVFFNPUSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1ncc([C@](C)(O)CC2CC2)n1C 307462098 346055102 /nfs/dbraw/zinc/05/51/02/346055102.db2.gz GDSPJDXVBFPBPW-LLVKDONJSA-N 0 0 194.278 1.736 10 0 ADAERN CCNC(=O)c1cc(C)cc(O)c1 307464593 346056446 /nfs/dbraw/zinc/05/64/46/346056446.db2.gz HAZNXNNOLWQXLI-UHFFFAOYSA-N 0 0 179.219 1.450 10 0 ADAERN CNc1ncc(-c2cncnc2)s1 307438228 346040235 /nfs/dbraw/zinc/04/02/35/346040235.db2.gz RPIHYSUYXJTCSV-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CCCC(=O)N1C[C@H](C)C[C@@H](O)C1 307439742 346041337 /nfs/dbraw/zinc/04/13/37/346041337.db2.gz VXFULPYWNMNQGV-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN Nc1cc(NCc2cocn2)sn1 307471043 346059814 /nfs/dbraw/zinc/05/98/14/346059814.db2.gz PBTOSYNYRRMMAE-UHFFFAOYSA-N 0 0 196.235 1.325 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)c1cscn1 307474852 346062570 /nfs/dbraw/zinc/06/25/70/346062570.db2.gz SVTOTISNEBDFAQ-BQBZGAKWSA-N 0 0 196.275 1.766 10 0 ADAERN CC1(C)SC[C@H]1Nc1cccnn1 307483250 346067374 /nfs/dbraw/zinc/06/73/74/346067374.db2.gz ABJOXPHBYKFMGV-SSDOTTSWSA-N 0 0 195.291 1.783 10 0 ADAERN C[C@H](c1n[nH]c(=O)o1)C(C)(C)C 307487343 346069646 /nfs/dbraw/zinc/06/96/46/346069646.db2.gz CEHADYVKPVQXRO-RXMQYKEDSA-N 0 0 170.212 1.513 10 0 ADAERN CC[N@@H+]1CCCC[C@@H](F)C1 307468655 346058908 /nfs/dbraw/zinc/05/89/08/346058908.db2.gz MLZYEYVMRMXZTB-MRVPVSSYSA-N 0 0 145.221 1.830 10 0 ADAERN C[C@@H]1CC[C@@]12C[C@@H](O)CCO2 307493629 346073265 /nfs/dbraw/zinc/07/32/65/346073265.db2.gz KUZXOZAUCLODHK-HRDYMLBCSA-N 0 0 156.225 1.326 10 0 ADAERN CCC1(Nc2ncnc(N)n2)CCC1 307494486 346074289 /nfs/dbraw/zinc/07/42/89/346074289.db2.gz HWOMOZDDGWQXFB-UHFFFAOYSA-N 0 0 193.254 1.198 10 0 ADAERN Cn1ccc(N[C@H]2CCC[C@]2(C)O)n1 307497583 346075571 /nfs/dbraw/zinc/07/55/71/346075571.db2.gz JTOISINPSAJRFD-WPRPVWTQSA-N 0 0 195.266 1.136 10 0 ADAERN C[C@@H]1C[C@]2(CS1)[C@@H](C)NC(=O)[C@@H]2C 307500991 346077512 /nfs/dbraw/zinc/07/75/12/346077512.db2.gz MXGBWLXRWPJWCH-IBCQBUCCSA-N 0 0 199.319 1.653 10 0 ADAERN CO[C@@H]1CCCC[C@]1(O)c1ccc[nH]1 307501479 346077553 /nfs/dbraw/zinc/07/75/53/346077553.db2.gz USDCTDUKGDEXDV-MNOVXSKESA-N 0 0 195.262 1.791 10 0 ADAERN Cc1cc(-c2ccc(=O)[nH]n2)sn1 307501858 346077874 /nfs/dbraw/zinc/07/78/74/346077874.db2.gz VGJJXKNQWFULOX-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN C[C@H]1C[C@H]1C(=O)NCc1cscn1 307503930 346078852 /nfs/dbraw/zinc/07/88/52/346078852.db2.gz OYANYZXKAPWPTB-POYBYMJQSA-N 0 0 196.275 1.415 10 0 ADAERN O=C(NC1CCCC1)C(F)(F)Cl 307503792 346078860 /nfs/dbraw/zinc/07/88/60/346078860.db2.gz JYKCRZMLRQIOCD-UHFFFAOYSA-N 0 0 197.612 1.877 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)NCc1cscn1 307503932 346078870 /nfs/dbraw/zinc/07/88/70/346078870.db2.gz OYANYZXKAPWPTB-SVRRBLITSA-N 0 0 196.275 1.415 10 0 ADAERN Cc1nccc(-c2nnc(Cl)o2)n1 307504097 346078873 /nfs/dbraw/zinc/07/88/73/346078873.db2.gz YEAAEDHYZFAARA-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN Cc1nccc(N[C@H](C)C(C)(C)O)n1 307504467 346078909 /nfs/dbraw/zinc/07/89/09/346078909.db2.gz WSGHKJCCAUORMC-SSDOTTSWSA-N 0 0 195.266 1.356 10 0 ADAERN N[C@@H](c1cscn1)c1csnn1 307505984 346079837 /nfs/dbraw/zinc/07/98/37/346079837.db2.gz XVKVFVRCFHIWLU-LURJTMIESA-N 0 0 198.276 1.043 10 0 ADAERN Cc1ncnc(N[C@H](C)CF)c1F 307489648 346071192 /nfs/dbraw/zinc/07/11/92/346071192.db2.gz DXAAEOOYLXGNDV-RXMQYKEDSA-N 0 0 187.193 1.694 10 0 ADAERN C[C@@H]1CN[C@H](c2nccn2C)SC1 307507886 346081007 /nfs/dbraw/zinc/08/10/07/346081007.db2.gz NGNBOOVAYJQSOM-APPZFPTMSA-N 0 0 197.307 1.391 10 0 ADAERN C[C@H]1CN[C@@H](c2nccn2C)SC1 307507908 346081018 /nfs/dbraw/zinc/08/10/18/346081018.db2.gz NGNBOOVAYJQSOM-IONNQARKSA-N 0 0 197.307 1.391 10 0 ADAERN CNC(=O)N1CCC[C@@H](SC)C1 307507426 346081023 /nfs/dbraw/zinc/08/10/23/346081023.db2.gz MTWYOQKOXMSNJY-SSDOTTSWSA-N 0 0 188.296 1.153 10 0 ADAERN COc1nc(C)c(CO)cc1Cl 307507952 346081024 /nfs/dbraw/zinc/08/10/24/346081024.db2.gz BSAIJROOYXARJI-UHFFFAOYSA-N 0 0 187.626 1.544 10 0 ADAERN C[C@@H]1C[C@@H](NC2CCCC2)C(=O)O1 307511613 346082992 /nfs/dbraw/zinc/08/29/92/346082992.db2.gz CGMRTLPKRJBPSE-VXNVDRBHSA-N 0 0 183.251 1.223 10 0 ADAERN C[C@H]1C[C@@H](NC2CCCC2)C(=O)O1 307511611 346083153 /nfs/dbraw/zinc/08/31/53/346083153.db2.gz CGMRTLPKRJBPSE-IONNQARKSA-N 0 0 183.251 1.223 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)[C@@H](C)CO1 307512029 346083522 /nfs/dbraw/zinc/08/35/22/346083522.db2.gz PHZIPJSPDSDDKP-YUMQZZPRSA-N 0 0 181.239 1.023 10 0 ADAERN CC[C@@H]1CNc2cc(F)cnc2N1C 307512208 346083585 /nfs/dbraw/zinc/08/35/85/346083585.db2.gz XSFLYSZTIXQWIB-MRVPVSSYSA-N 0 0 195.241 1.861 10 0 ADAERN CO[C@H]1CCC[C@@H]1C(N)=S 307514531 346084541 /nfs/dbraw/zinc/08/45/41/346084541.db2.gz CVRZVPWVNBUTQY-WDSKDSINSA-N 0 0 159.254 1.088 10 0 ADAERN CO[C@H]1CCC[C@H]1C(N)=S 307514528 346084542 /nfs/dbraw/zinc/08/45/42/346084542.db2.gz CVRZVPWVNBUTQY-RITPCOANSA-N 0 0 159.254 1.088 10 0 ADAERN CO[C@@H]1CCC[C@@H]1C(N)=S 307514508 346084543 /nfs/dbraw/zinc/08/45/43/346084543.db2.gz CVRZVPWVNBUTQY-NTSWFWBYSA-N 0 0 159.254 1.088 10 0 ADAERN Nc1ccnc(-c2ccns2)n1 307513799 346084562 /nfs/dbraw/zinc/08/45/62/346084562.db2.gz ZILSMNBYEUGSBS-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O=C(NCC1CC1)Nc1ncco1 307514608 346085158 /nfs/dbraw/zinc/08/51/58/346085158.db2.gz DBEZBURPKIZUMT-UHFFFAOYSA-N 0 0 181.195 1.206 10 0 ADAERN CC(=O)[C@H](C)[C@H]1CCCO1 307516635 346086084 /nfs/dbraw/zinc/08/60/84/346086084.db2.gz HEHPRNYNJWFYSJ-POYBYMJQSA-N 0 0 142.198 1.391 10 0 ADAERN Cc1cc(-c2nc(CO)c[nH]2)cs1 307516044 346086150 /nfs/dbraw/zinc/08/61/50/346086150.db2.gz SFWHXFKJCYAMCG-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN CC(=O)[C@H](C)[C@@H]1CCCO1 307516639 346086154 /nfs/dbraw/zinc/08/61/54/346086154.db2.gz HEHPRNYNJWFYSJ-XPUUQOCRSA-N 0 0 142.198 1.391 10 0 ADAERN CC1(C)COCCN1c1ncc[nH]1 307517357 346086849 /nfs/dbraw/zinc/08/68/49/346086849.db2.gz UAUBDHKAZDRAFP-UHFFFAOYSA-N 0 0 181.239 1.025 10 0 ADAERN C[C@@H](O)[C@@H](C)n1ccc(Cl)n1 307530453 346095069 /nfs/dbraw/zinc/09/50/69/346095069.db2.gz VMBLJRMRZKZWBF-PHDIDXHHSA-N 0 0 174.631 1.478 10 0 ADAERN CSCC(=O)Nc1ccc[nH]c1=O 307531545 346095145 /nfs/dbraw/zinc/09/51/45/346095145.db2.gz XOGBXBOETWVEHQ-UHFFFAOYSA-N 0 0 198.247 1.089 10 0 ADAERN CCC(C)(C)CCS(C)(=O)=O 307534004 346096523 /nfs/dbraw/zinc/09/65/23/346096523.db2.gz AKKMSSANPOBVOV-UHFFFAOYSA-N 0 0 178.297 1.857 10 0 ADAERN O=C1CCN(CC2=CCCCC2)C1=O 307536109 346098071 /nfs/dbraw/zinc/09/80/71/346098071.db2.gz PJENIIMHWCZLJP-UHFFFAOYSA-N 0 0 193.246 1.288 10 0 ADAERN Cc1ncc(-c2nccc(=O)[nH]2)s1 307536126 346098113 /nfs/dbraw/zinc/09/81/13/346098113.db2.gz PLIXITAEOXHWKP-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN Fc1cc(F)nc(Br)n1 307536833 346098816 /nfs/dbraw/zinc/09/88/16/346098816.db2.gz UCSCKISTDNUOBQ-UHFFFAOYSA-N 0 0 194.966 1.517 10 0 ADAERN Cc1nc([C@@H](N)c2ccsn2)co1 307517475 346087436 /nfs/dbraw/zinc/08/74/36/346087436.db2.gz JLORVQKKIYQUQY-QMMMGPOBSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1noc(N[C@@H]2CCS[C@H]2C)n1 307521297 346089686 /nfs/dbraw/zinc/08/96/86/346089686.db2.gz UUDLMNDLFYBCQK-CAHLUQPWSA-N 0 0 199.279 1.684 10 0 ADAERN C[C@H]1CCn2cc(Cl)cc2C(=O)N1 307521479 346089689 /nfs/dbraw/zinc/08/96/89/346089689.db2.gz VMJDSNFTKRSTTR-LURJTMIESA-N 0 0 198.653 1.664 10 0 ADAERN CCNC(=S)N1CCC[C@H]2C[C@H]21 307539571 346100358 /nfs/dbraw/zinc/10/03/58/346100358.db2.gz QIYAFJYKKZNEHJ-JGVFFNPUSA-N 0 0 184.308 1.365 10 0 ADAERN O=C(Cc1ccccn1)c1ccc[nH]1 307541413 346101228 /nfs/dbraw/zinc/10/12/28/346101228.db2.gz XUIHTZXBSGWFMZ-UHFFFAOYSA-N 0 0 186.214 1.835 10 0 ADAERN CCOc1nc(N2CCC2)ccc1N 307543508 346102893 /nfs/dbraw/zinc/10/28/93/346102893.db2.gz AFMPMQXIIIRZMO-UHFFFAOYSA-N 0 0 193.250 1.273 10 0 ADAERN CNC(=S)N[C@@H]1CC[C@@H]1C1CC1 307544768 346103356 /nfs/dbraw/zinc/10/33/56/346103356.db2.gz IGTIYDQJNMKUGU-HTQZYQBOSA-N 0 0 184.308 1.269 10 0 ADAERN C[C@H](Nc1nccc(N)n1)C(F)F 307550656 346107432 /nfs/dbraw/zinc/10/74/32/346107432.db2.gz RLVWAFYATOVOTJ-BYPYZUCNSA-N 0 0 188.181 1.124 10 0 ADAERN Cn1nc(-c2sccc2F)nc1N 307553786 346108876 /nfs/dbraw/zinc/10/88/76/346108876.db2.gz FNZNTULUJRQYPL-UHFFFAOYSA-N 0 0 198.226 1.265 10 0 ADAERN C[C@@H]1CC[C@H](Cn2cnc(N)n2)C1 307554749 346109689 /nfs/dbraw/zinc/10/96/89/346109689.db2.gz HCGYRGPJNJWVIO-SFYZADRCSA-N 0 0 180.255 1.297 10 0 ADAERN CNc1ccc(N2CC[C@H]2C)cn1 307555846 346110697 /nfs/dbraw/zinc/11/06/97/346110697.db2.gz TZSNTILUOCPYAL-MRVPVSSYSA-N 0 0 177.251 1.722 10 0 ADAERN CC1CN(C(=O)c2ccn(C)c2)C1 307556921 346111039 /nfs/dbraw/zinc/11/10/39/346111039.db2.gz UTZZSLKPYVCOPL-UHFFFAOYSA-N 0 0 178.235 1.117 10 0 ADAERN Cn1ncc([C@H]2CCCCCC2=O)n1 307559166 346112212 /nfs/dbraw/zinc/11/22/12/346112212.db2.gz NVKPJAKXVKIRFO-MRVPVSSYSA-N 0 0 193.250 1.432 10 0 ADAERN CCO[P@H](=O)[C@@H](N)C(F)(F)F 307558560 346112222 /nfs/dbraw/zinc/11/22/22/346112222.db2.gz BFBODRPBKLVAQU-GSVOUGTGSA-N 0 0 191.089 1.345 10 0 ADAERN C[C@H]1[C@H](C)C[C@]12CC(=O)N[C@@H]2C 307558678 346112312 /nfs/dbraw/zinc/11/23/12/346112312.db2.gz DMINNRMCHUMMSA-JIOCBJNQSA-N 0 0 167.252 1.557 10 0 ADAERN Cc1cc(NCC(F)F)nnc1C 307539220 346100007 /nfs/dbraw/zinc/10/00/07/346100007.db2.gz XWCADCCOGSRIGB-UHFFFAOYSA-N 0 0 187.193 1.770 10 0 ADAERN OCc1c(F)cccc1N1CCC1 307539482 346100131 /nfs/dbraw/zinc/10/01/31/346100131.db2.gz YGYNJRXQBBMHIG-UHFFFAOYSA-N 0 0 181.210 1.528 10 0 ADAERN CSCc1ccnc(NC(N)=O)c1 307572644 346121302 /nfs/dbraw/zinc/12/13/02/346121302.db2.gz DMBFDWBJKVHLNR-UHFFFAOYSA-N 0 0 197.263 1.435 10 0 ADAERN CS[C@@H](C)C(=O)N1CCC[C@@H]2C[C@@H]21 307575321 346123209 /nfs/dbraw/zinc/12/32/09/346123209.db2.gz JXRCXRPGFUJCEY-YIZRAAEISA-N 0 0 199.319 1.749 10 0 ADAERN CCNC(=S)N[C@@H]1CC[C@@H](F)C1 307581109 346126685 /nfs/dbraw/zinc/12/66/85/346126685.db2.gz BTFBRSPZBRNYNV-RNFRBKRXSA-N 0 0 190.287 1.361 10 0 ADAERN CCNC(=S)N[C@H]1CC[C@@H](F)C1 307581110 346126689 /nfs/dbraw/zinc/12/66/89/346126689.db2.gz BTFBRSPZBRNYNV-RQJHMYQMSA-N 0 0 190.287 1.361 10 0 ADAERN CC1(C)C[C@@H]1[C@@]1(C)COC(N)=N1 307580543 346126804 /nfs/dbraw/zinc/12/68/04/346126804.db2.gz XWQGKQBLJHZWBH-IMTBSYHQSA-N 0 0 168.240 1.136 10 0 ADAERN OCCc1csc(-c2cn[nH]c2)n1 307581458 346127262 /nfs/dbraw/zinc/12/72/62/346127262.db2.gz RHFXBSLDDDTBML-UHFFFAOYSA-N 0 0 195.247 1.068 10 0 ADAERN CC1CN(C(=O)CC(C)(C)C)C1 307581875 346127309 /nfs/dbraw/zinc/12/73/09/346127309.db2.gz SQGULVIMGJRPBS-UHFFFAOYSA-N 0 0 169.268 1.901 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)Nc1nncs1 307582997 346127752 /nfs/dbraw/zinc/12/77/52/346127752.db2.gz XEDHTRYIMATTLL-CRCLSJGQSA-N 0 0 198.251 1.068 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)c1cocn1 307583461 346128056 /nfs/dbraw/zinc/12/80/56/346128056.db2.gz YQACNAGTTYAXPZ-BQBZGAKWSA-N 0 0 180.207 1.060 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)c1cocn1 307583462 346128305 /nfs/dbraw/zinc/12/83/05/346128305.db2.gz YQACNAGTTYAXPZ-NKWVEPMBSA-N 0 0 180.207 1.060 10 0 ADAERN C[C@H]1C(=O)NC[C@H]1C1CCCC1 307564313 346115174 /nfs/dbraw/zinc/11/51/74/346115174.db2.gz DDNFQQBCTAIGOV-VXNVDRBHSA-N 0 0 167.252 1.559 10 0 ADAERN NC(=O)Oc1cc(F)c(N)cc1F 307588596 346131586 /nfs/dbraw/zinc/13/15/86/346131586.db2.gz XTVRNPQMKVCCEW-UHFFFAOYSA-N 0 0 188.133 1.005 10 0 ADAERN CNC(=O)Nc1ccc(C)nc1Cl 307591482 346133749 /nfs/dbraw/zinc/13/37/49/346133749.db2.gz CIKUPINMHYTKIV-UHFFFAOYSA-N 0 0 199.641 1.795 10 0 ADAERN Cc1cccc(N)c1N1CC=CC1 307594501 346135287 /nfs/dbraw/zinc/13/52/87/346135287.db2.gz KFOMVNYJBFDWBQ-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN N#CNC1CCC(F)(F)CC1 307593830 346135288 /nfs/dbraw/zinc/13/52/88/346135288.db2.gz HWGWSLZZAKZKEG-UHFFFAOYSA-N 0 0 160.167 1.635 10 0 ADAERN NC1=N[C@]2(CCCC23CCC3)CO1 307594309 346135291 /nfs/dbraw/zinc/13/52/91/346135291.db2.gz IOMYEZOIKXCDRT-SNVBAGLBSA-N 0 0 180.251 1.424 10 0 ADAERN CC1([C@@H]2COC(=O)N2)CCCC1 307594171 346135298 /nfs/dbraw/zinc/13/52/98/346135298.db2.gz JWVOFTWNVPZOCN-ZETCQYMHSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H]1NC(=O)CC[C@@H]1n1cccc1 307594889 346135841 /nfs/dbraw/zinc/13/58/41/346135841.db2.gz JNLYKUSAAOWRSR-BDAKNGLRSA-N 0 0 178.235 1.328 10 0 ADAERN CC(C)(C)[C@H]1C(=O)N[C@@H]1C1CCC1 307599541 346138579 /nfs/dbraw/zinc/13/85/79/346138579.db2.gz QDLAXVVNJPNWDA-RKDXNWHRSA-N 0 0 181.279 1.947 10 0 ADAERN CCNc1ncc2c(n1)[C@H]1C[C@H]1C2 307599195 346138580 /nfs/dbraw/zinc/13/85/80/346138580.db2.gz PTPXCRYCYCSPHV-SVRRBLITSA-N 0 0 175.235 1.568 10 0 ADAERN CC[C@@H]1CCC[C@H]1N1CCNC1=O 307599152 346138584 /nfs/dbraw/zinc/13/85/84/346138584.db2.gz QMNAEWBJPXAEFZ-RKDXNWHRSA-N 0 0 182.267 1.590 10 0 ADAERN CCC(=O)N[C@H](C)C(C)(F)F 307599190 346138699 /nfs/dbraw/zinc/13/86/99/346138699.db2.gz PTHIKELPSRPDTJ-RXMQYKEDSA-N 0 0 165.183 1.556 10 0 ADAERN Cc1cc2ncccc2[nH]1 307602043 346140215 /nfs/dbraw/zinc/14/02/15/346140215.db2.gz VVJCCYRBIBDUTL-UHFFFAOYSA-N 0 0 132.166 1.823 10 0 ADAERN C/C=C/CNc1nccnc1N 307602030 346140230 /nfs/dbraw/zinc/14/02/30/346140230.db2.gz VTSJLSOKDLHYRW-NSCUHMNNSA-N 0 0 164.212 1.047 10 0 ADAERN C[C@@H]1CCCC[C@@]1(C)n1cnc(N)n1 307603387 346141144 /nfs/dbraw/zinc/14/11/44/346141144.db2.gz ZSMMBISEKQBCFH-PSASIEDQSA-N 0 0 194.282 1.786 10 0 ADAERN C[C@@H]1CCCC[C@]1(C)n1cnc(N)n1 307603388 346141169 /nfs/dbraw/zinc/14/11/69/346141169.db2.gz ZSMMBISEKQBCFH-SCZZXKLOSA-N 0 0 194.282 1.786 10 0 ADAERN C[S@](=O)Nc1ccc(Cl)nc1 307604861 346141662 /nfs/dbraw/zinc/14/16/62/346141662.db2.gz XCKJFWZBMDVEDK-NSHDSACASA-N 0 0 190.655 1.440 10 0 ADAERN CC[C@@H]1CCC[C@@H]1n1cc[nH]c1=O 307611379 346146046 /nfs/dbraw/zinc/14/60/46/346146046.db2.gz JICTWUZPUHDFBR-BDAKNGLRSA-N 0 0 180.251 1.928 10 0 ADAERN CC[C@H]1CCC[C@@H]1n1cc[nH]c1=O 307611381 346146143 /nfs/dbraw/zinc/14/61/43/346146143.db2.gz JICTWUZPUHDFBR-IUCAKERBSA-N 0 0 180.251 1.928 10 0 ADAERN CC1CCC(C(=O)N2CCCN2)CC1 307612022 346146597 /nfs/dbraw/zinc/14/65/97/346146597.db2.gz KEAYMOVAJOIWCH-UHFFFAOYSA-N 0 0 196.294 1.550 10 0 ADAERN Cn1ccc(N[C@@H]2CCOC2(C)C)n1 307585717 346129899 /nfs/dbraw/zinc/12/98/99/346129899.db2.gz MWIGXKQDBQZTCJ-MRVPVSSYSA-N 0 0 195.266 1.400 10 0 ADAERN c1ccc(C2N=NN=N2)nc1 5395284 207350592 /nfs/dbraw/zinc/35/05/92/207350592.db2.gz PTVZBOAYOHAOPP-UHFFFAOYSA-N 0 0 147.141 1.913 10 0 ADAERN ClC1(Cl)[C@H]2CCO[C@H]21 5480431 207350603 /nfs/dbraw/zinc/35/06/03/207350603.db2.gz BPNWKQDJAQRDPI-IUYQGCFVSA-N 0 0 153.008 1.579 10 0 ADAERN ClC1(Cl)[C@H]2OCC[C@H]21 5480432 207351393 /nfs/dbraw/zinc/35/13/93/207351393.db2.gz BPNWKQDJAQRDPI-DMTCNVIQSA-N 0 0 153.008 1.579 10 0 ADAERN Oc1ccc(O)c2c1CCCC2 5439161 207351513 /nfs/dbraw/zinc/35/15/13/207351513.db2.gz GVTDRUXHMYZTFF-UHFFFAOYSA-N 0 0 164.204 1.977 10 0 ADAERN CC1(C)OCCS[C@H]2CC(=O)N21 28540507 207351978 /nfs/dbraw/zinc/35/19/78/207351978.db2.gz ZRVYSURLZGXYBP-ZETCQYMHSA-N 0 0 187.264 1.044 10 0 ADAERN CC=C=CCC(C)=O 45795839 207352446 /nfs/dbraw/zinc/35/24/46/207352446.db2.gz AAOZVMCWCVICGM-UHFFFAOYSA-N 0 0 110.156 1.697 10 0 ADAERN CCCc1nccc(C=O)n1 54790982 207353362 /nfs/dbraw/zinc/35/33/62/207353362.db2.gz NGVONPDBTJAIBM-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN O=C1Oc2ccccc2C1O 100046297 207354810 /nfs/dbraw/zinc/35/48/10/207354810.db2.gz DNDWXJDUTDZBNV-UHFFFAOYSA-N 0 0 150.133 1.844 10 0 ADAERN [NH3+]/C(=C/c1ccccc1)C(=O)[O-] 100043132 207354845 /nfs/dbraw/zinc/35/48/45/207354845.db2.gz YWIQQKOKNPPGDO-SOFGYWHQSA-N 0 0 163.176 1.071 10 0 ADAERN O=[N+]([O-])C=CNCc1ccccc1 100050896 207354866 /nfs/dbraw/zinc/35/48/66/207354866.db2.gz NMWVBMVHNATQNF-VOTSOKGWSA-N 0 0 178.191 1.524 10 0 ADAERN CCC(CC)Nc1ccn(C)c(=O)c1 307627463 346155694 /nfs/dbraw/zinc/15/56/94/346155694.db2.gz JCOFYVQNNQTLLC-UHFFFAOYSA-N 0 0 194.278 1.986 10 0 ADAERN C/C=C\I 103598397 207355867 /nfs/dbraw/zinc/35/58/67/207355867.db2.gz QYQQTZFOFMPYCA-IHWYPQMZSA-N 0 0 167.977 1.955 10 0 ADAERN O=C1N[C@H](c2cscn2)[C@H]1C1CC1 307627706 346156352 /nfs/dbraw/zinc/15/63/52/346156352.db2.gz LMBUOQVICRQCAD-HTQZYQBOSA-N 0 0 194.259 1.340 10 0 ADAERN CC1(C)COC[C@@]12CC(=O)CCO2 307628774 346156883 /nfs/dbraw/zinc/15/68/83/346156883.db2.gz UQOLJAHANVNFFM-JTQLQIEISA-N 0 0 184.235 1.161 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ncc(N)s1 307630019 346157286 /nfs/dbraw/zinc/15/72/86/346157286.db2.gz LZGJXFZXCUPUQM-PHDIDXHHSA-N 0 0 183.280 1.936 10 0 ADAERN CCn1ccnc1C[C@@]1(O)CC[C@H]1C 307632621 346159193 /nfs/dbraw/zinc/15/91/93/346159193.db2.gz QFCNSRMUWWUVJW-KOLCDFICSA-N 0 0 194.278 1.607 10 0 ADAERN C[C@H]1CCN(C(N)=S)CCS1 307634289 346160042 /nfs/dbraw/zinc/16/00/42/346160042.db2.gz PNPOIICETMAESM-LURJTMIESA-N 0 0 190.337 1.057 10 0 ADAERN CC(C)[C@@H](C)CC(=O)N1CC1 307639382 346162675 /nfs/dbraw/zinc/16/26/75/346162675.db2.gz ZYVKLYNVUJTTNL-QMMMGPOBSA-N 0 0 155.241 1.511 10 0 ADAERN CCCn1ncnc1[C@]1(O)CC[C@H]1C 307642309 346163726 /nfs/dbraw/zinc/16/37/26/346163726.db2.gz JSJMWOVZDOIIGI-SCZZXKLOSA-N 0 0 195.266 1.306 10 0 ADAERN CCCn1ncnc1[C@]1(O)CC[C@@H]1C 307642311 346163910 /nfs/dbraw/zinc/16/39/10/346163910.db2.gz JSJMWOVZDOIIGI-WPRPVWTQSA-N 0 0 195.266 1.306 10 0 ADAERN Nc1cnc(C(F)(F)F)c(O)c1 307643291 346164178 /nfs/dbraw/zinc/16/41/78/346164178.db2.gz OLKQQTGOFVKIDV-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN CO[C@H]1CCCC[C@H]1C(N)=S 307644869 346165199 /nfs/dbraw/zinc/16/51/99/346165199.db2.gz VXSUGVYJBNLOJK-RQJHMYQMSA-N 0 0 173.281 1.478 10 0 ADAERN 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Cc1cc([C@@H]2NC(=O)C2(C)C)sn1 404452043 346643199 /nfs/dbraw/zinc/64/31/99/346643199.db2.gz GZPABGLPVFRXOP-ZETCQYMHSA-N 0 0 196.275 1.649 10 0 ADAERN C[C@@H]1CN[C@H](c2ccns2)S1 404457770 346643987 /nfs/dbraw/zinc/64/39/87/346643987.db2.gz XMDAWLAVIZRJIH-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN Cc1cc(-c2nccc(=O)[nH]2)sn1 404476929 346644748 /nfs/dbraw/zinc/64/47/48/346644748.db2.gz XTNMGIQWICRQEB-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cn1cc(NCc2ccns2)cn1 404479221 346644753 /nfs/dbraw/zinc/64/47/53/346644753.db2.gz CWNFAGBFLDHPLR-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN C[C@@H]1NC(=O)C[C@@H]1c1ccns1 404482648 346645409 /nfs/dbraw/zinc/64/54/09/346645409.db2.gz HYPFIZSCYWJNOS-WDSKDSINSA-N 0 0 182.248 1.135 10 0 ADAERN Fc1nccnc1N1CCSCC1 402795391 346632354 /nfs/dbraw/zinc/63/23/54/346632354.db2.gz MSFULLYUCBKOLB-UHFFFAOYSA-N 0 0 199.254 1.169 10 0 ADAERN Oc1cn2c3c(sc2n1)CCC3 402841074 346632588 /nfs/dbraw/zinc/63/25/88/346632588.db2.gz ZGALZWCEVMMRCB-UHFFFAOYSA-N 0 0 180.232 1.590 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/nfs/dbraw/zinc/65/49/74/346654974.db2.gz ARWHQAFZCWQPAB-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN NNc1ccnc(-c2cnsc2)c1 404948275 346655017 /nfs/dbraw/zinc/65/50/17/346655017.db2.gz PPSOZTWWNRYOPY-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CNc1nccnc1-c1cnsc1 404960104 346655545 /nfs/dbraw/zinc/65/55/45/346655545.db2.gz VAUWRVSLWXOCTC-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN Nc1cnc([C@@H]2CCSC2)nc1 404985971 346655565 /nfs/dbraw/zinc/65/55/65/346655565.db2.gz ICLSFAOOVOBLSW-ZCFIWIBFSA-N 0 0 181.264 1.279 10 0 ADAERN O=C1CCC(O)(c2cnsc2)CC1 404962695 346655576 /nfs/dbraw/zinc/65/55/76/346655576.db2.gz WFLXYVHCHCJKAN-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN [NH3+][C@H](c1cscn1)C1CSC1 405000408 346655583 /nfs/dbraw/zinc/65/55/83/346655583.db2.gz MFSLWQOOSUFMJT-ZETCQYMHSA-N 0 0 186.305 1.506 10 0 ADAERN Nc1cncc(-c2cnsc2)n1 404963734 346655596 /nfs/dbraw/zinc/65/55/96/346655596.db2.gz WNSYIBDJMGRVQD-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN NC(=S)CN1CCCC(F)(F)C1 404970713 346655601 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405125389 346658289 /nfs/dbraw/zinc/65/82/89/346658289.db2.gz DHCBVYQUQCIJLJ-ZETCQYMHSA-N 0 0 196.275 1.833 10 0 ADAERN O=c1ccnc(C2CSC2)[nH]1 405131096 346658291 /nfs/dbraw/zinc/65/82/91/346658291.db2.gz DRDBOJXSYRTVHJ-UHFFFAOYSA-N 0 0 168.221 1.013 10 0 ADAERN Nc1csc(C2CSC2)n1 405133765 346658293 /nfs/dbraw/zinc/65/82/93/346658293.db2.gz OGNRWWPRZBSMQX-UHFFFAOYSA-N 0 0 172.278 1.556 10 0 ADAERN c1cc(CNCc2cc[nH]n2)sn1 404495488 346645961 /nfs/dbraw/zinc/64/59/61/346645961.db2.gz PSVRBUJIDPBULN-UHFFFAOYSA-N 0 0 194.263 1.156 10 0 ADAERN Cc1cc([C@H]2CC(=O)N[C@H]2C)sn1 404499475 346646052 /nfs/dbraw/zinc/64/60/52/346646052.db2.gz VYNRBAJMCPDUBH-BQBZGAKWSA-N 0 0 196.275 1.444 10 0 ADAERN Cc1cnc(C)c(NC(N)N=O)c1 404512740 346646057 /nfs/dbraw/zinc/64/60/57/346646057.db2.gz KWFQFNWEOROOHX-UHFFFAOYSA-N 0 0 180.211 1.024 10 0 ADAERN Cc1nn([C@H]2CCSC2)c(C)c1N 405264514 346662053 /nfs/dbraw/zinc/66/20/53/346662053.db2.gz KWIXXHKNJVUZGY-QMMMGPOBSA-N 0 0 197.307 1.760 10 0 ADAERN 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C[C@H]1C[C@H]1COCc1ncc[nH]1 629167002 347335827 /nfs/dbraw/zinc/33/58/27/347335827.db2.gz CTZGECALKFSLLG-YUMQZZPRSA-N 0 0 166.224 1.582 10 0 ADAERN C[C@H]1C[C@H]1CSc1c[nH]nn1 629160122 347335834 /nfs/dbraw/zinc/33/58/34/347335834.db2.gz NGGVLJQQVSQWDG-WDSKDSINSA-N 0 0 169.253 1.553 10 0 ADAERN COc1cc(NCC2CC=CC2)[nH]n1 629210089 347337676 /nfs/dbraw/zinc/33/76/76/347337676.db2.gz HKDXOOHQHVGJQJ-UHFFFAOYSA-N 0 0 193.250 1.796 10 0 ADAERN CCC1CN(C(=O)c2conc2C)C1 633383429 347402377 /nfs/dbraw/zinc/40/23/77/347402377.db2.gz GIJPOLYECRMEEH-UHFFFAOYSA-N 0 0 194.234 1.465 10 0 ADAERN CC(C)(O)C(=O)N[C@@H]1CCCC12CC2 633782229 347404973 /nfs/dbraw/zinc/40/49/73/347404973.db2.gz XLSWPHSXWMJUGH-MRVPVSSYSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@H](C(=O)NC1COC1)C1CCCC1 634255776 347410036 /nfs/dbraw/zinc/41/00/36/347410036.db2.gz POTRQCIXEDPOIR-QMMMGPOBSA-N 0 0 197.278 1.328 10 0 ADAERN Cc1coc(C)c1C(=O)NC1COC1 634257791 347410521 /nfs/dbraw/zinc/41/05/21/347410521.db2.gz DBLAVCBIIFZOKX-UHFFFAOYSA-N 0 0 195.218 1.025 10 0 ADAERN Cc1cc(C(=O)NC2COC2)oc1C 634256622 347410527 /nfs/dbraw/zinc/41/05/27/347410527.db2.gz HEDWBQUOLHLRPA-UHFFFAOYSA-N 0 0 195.218 1.025 10 0 ADAERN CCNC(=O)C1(C(F)F)CCC1 630408957 347364067 /nfs/dbraw/zinc/36/40/67/347364067.db2.gz ABJSMPMLQGLTMI-UHFFFAOYSA-N 0 0 177.194 1.558 10 0 ADAERN CCCNC(=O)[C@@H](C)c1ccncc1 630426818 347365560 /nfs/dbraw/zinc/36/55/60/347365560.db2.gz AGKCRJZZNLMVOK-VIFPVBQESA-N 0 0 192.262 1.711 10 0 ADAERN CC[C@H](C)[C@@H](C)C(=O)NC1COC1 634258208 347411167 /nfs/dbraw/zinc/41/11/67/347411167.db2.gz QHHSVQGTFZGZTI-JGVFFNPUSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@@H](C)[C@H](C)C(=O)NC1COC1 634258209 347411289 /nfs/dbraw/zinc/41/12/89/347411289.db2.gz QHHSVQGTFZGZTI-SFYZADRCSA-N 0 0 185.267 1.184 10 0 ADAERN Cc1cn(C[C@@H]2CCO[C@H]2C)nn1 634549889 347413750 /nfs/dbraw/zinc/41/37/50/347413750.db2.gz HUGOVKVQPVMNAD-IUCAKERBSA-N 0 0 181.239 1.012 10 0 ADAERN C/C=C\CS(=O)(=O)CC1CCC1 634534145 347413753 /nfs/dbraw/zinc/41/37/53/347413753.db2.gz 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/nfs/dbraw/zinc/42/05/90/347420590.db2.gz CIUKSHKIJZFPOR-MRVPVSSYSA-N 0 0 184.239 1.020 10 0 ADAERN COC[C@H](C)N1N=C2CCC[C@@H]2C1=O 634610971 347420605 /nfs/dbraw/zinc/42/06/05/347420605.db2.gz KTYQYRXMXUWVKS-YUMQZZPRSA-N 0 0 196.250 1.020 10 0 ADAERN C[C@@H]1CCC2=NN(C3CC3)C(=O)[C@@H]21 634618132 347421890 /nfs/dbraw/zinc/42/18/90/347421890.db2.gz HPVUMKWFVZJXRF-HZGVNTEJSA-N 0 0 178.235 1.393 10 0 ADAERN CC1=NN(C23CC(C2)C3)C(=O)[C@H](C)C1 634624817 347423903 /nfs/dbraw/zinc/42/39/03/347423903.db2.gz RJUGOMYKKPAEQA-DUWLDVDNSA-N 0 0 192.262 1.783 10 0 ADAERN CC(C)[C@]1(C)C[C@@H]1C(=O)NC1COC1 634257695 347410537 /nfs/dbraw/zinc/41/05/37/347410537.db2.gz IUROAGSRPDMWCG-KOLCDFICSA-N 0 0 197.278 1.184 10 0 ADAERN CC(C)C[C@@H](C)CC(=O)NC1COC1 634256771 347410542 /nfs/dbraw/zinc/41/05/42/347410542.db2.gz VHQVNCHRVIYONN-SECBINFHSA-N 0 0 199.294 1.574 10 0 ADAERN CC1=C(C(=O)NC2COC2)CCC1 634257367 347410547 /nfs/dbraw/zinc/41/05/47/347410547.db2.gz YHVGWNNKCDVDJH-UHFFFAOYSA-N 0 0 181.235 1.002 10 0 ADAERN CCC[C@@H](C(=O)NC1COC1)C(C)C 634257357 347410549 /nfs/dbraw/zinc/41/05/49/347410549.db2.gz YAVFARTYDWSRQS-SNVBAGLBSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)C[C@H](C)CC(=O)NC1COC1 634256775 347410566 /nfs/dbraw/zinc/41/05/66/347410566.db2.gz VHQVNCHRVIYONN-VIFPVBQESA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1COC1 634257697 347410579 /nfs/dbraw/zinc/41/05/79/347410579.db2.gz IUROAGSRPDMWCG-MWLCHTKSSA-N 0 0 197.278 1.184 10 0 ADAERN CCC[C@H](C(=O)NC1COC1)C(C)C 634257356 347410617 /nfs/dbraw/zinc/41/06/17/347410617.db2.gz YAVFARTYDWSRQS-JTQLQIEISA-N 0 0 199.294 1.574 10 0 ADAERN CC1(C)CC[C@@H](C(=O)NC2COC2)C1 634257548 347410618 /nfs/dbraw/zinc/41/06/18/347410618.db2.gz IGZYHXNMNUYXSU-MRVPVSSYSA-N 0 0 197.278 1.328 10 0 ADAERN CC(C)C[C@H](C)C(=O)NC1COC1 634257476 347410620 /nfs/dbraw/zinc/41/06/20/347410620.db2.gz GKTAPZQGSIGJPL-QMMMGPOBSA-N 0 0 185.267 1.184 10 0 ADAERN CC(=O)CN1CCC(F)(F)[C@H](C)C1 639644914 347529188 /nfs/dbraw/zinc/52/91/88/347529188.db2.gz ANOVLSISUDSJPM-SSDOTTSWSA-N 0 0 191.221 1.553 10 0 ADAERN F[C@@H]1CCN(CCc2cnccn2)C1 639661564 347531046 /nfs/dbraw/zinc/53/10/46/347531046.db2.gz AHWIVPKYDTXINO-SECBINFHSA-N 0 0 195.241 1.063 10 0 ADAERN CC(=O)CN1CCOc2ccccc21 639452105 347518614 /nfs/dbraw/zinc/51/86/14/347518614.db2.gz MJSXLTPWTIHKQP-UHFFFAOYSA-N 0 0 191.230 1.474 10 0 ADAERN C1CO[C@@H](CN2OC3CCC2CC3)C1 640238750 347550364 /nfs/dbraw/zinc/55/03/64/347550364.db2.gz FMHVBLOGHNBBSN-VQXHTEKXSA-N 0 0 197.278 1.724 10 0 ADAERN Cc1cncc(C(=O)N2CC[C@H]2C)c1 641240020 347563740 /nfs/dbraw/zinc/56/37/40/347563740.db2.gz FMOPTELWILJRLM-SECBINFHSA-N 0 0 190.246 1.624 10 0 ADAERN Cc1ccc(C(=O)N2CC[C@H]2C)nn1 641246085 347567887 /nfs/dbraw/zinc/56/78/87/347567887.db2.gz BWMDOKCDYOQTKZ-MRVPVSSYSA-N 0 0 191.234 1.019 10 0 ADAERN CC(C)[C@H](O)CNc1ccncc1F 641392014 347571598 /nfs/dbraw/zinc/57/15/98/347571598.db2.gz RQSJDYWNAGKCEE-SNVBAGLBSA-N 0 0 198.241 1.071 10 0 ADAERN CC(=O)CN1CCO[C@](C)(C2CC2)C1 639784474 347534474 /nfs/dbraw/zinc/53/44/74/347534474.db2.gz IBDIYSIKJRZOOL-NSHDSACASA-N 0 0 197.278 1.076 10 0 ADAERN CCCCC(=O)NCc1ccnn1C 642216768 347590874 /nfs/dbraw/zinc/59/08/74/347590874.db2.gz QBYBGNWFPAPBEL-UHFFFAOYSA-N 0 0 195.266 1.227 10 0 ADAERN CC[C@H](C)C(=O)NCc1ccnn1C 642216832 347590960 /nfs/dbraw/zinc/59/09/60/347590960.db2.gz ZSKJJNFQJARATP-QMMMGPOBSA-N 0 0 195.266 1.082 10 0 ADAERN C/C=C/CN1C(=O)N[C@@](C)(CC)C1=O 642606676 347595876 /nfs/dbraw/zinc/59/58/76/347595876.db2.gz FLBZAVGSUKORRN-RWCYGVJQSA-N 0 0 196.250 1.283 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)COC 641674645 347578792 /nfs/dbraw/zinc/57/87/92/347578792.db2.gz ADJFKTXMHLFENA-DJLDLDEBSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@H]1CC[C@@H](C)[C@@H](O)C1 14807054 219805238 /nfs/dbraw/zinc/80/52/38/219805238.db2.gz RUADGOLRFXTMCY-RNJXMRFFSA-N 0 0 128.215 1.803 10 0 ADAERN Fc1cccc2nc(Cl)nn12 306853413 224473828 /nfs/dbraw/zinc/47/38/28/224473828.db2.gz UATULIUUMWDUNU-UHFFFAOYSA-N 0 0 171.562 1.522 10 0 ADAERN COc1cccc(C)c1 503898700 224476829 /nfs/dbraw/zinc/47/68/29/224476829.db2.gz ZSBGXYYYOGLYBQ-UHFFFAOYSA-N 0 0 121.159 1.836 10 0 ADAERN c1ccc2c(c1)ncc1nccn12 2040911 351303244 /nfs/dbraw/zinc/30/32/44/351303244.db2.gz VTNBGTYLJIUATL-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN C[C@@H]1OC[C@H](c2ccccc2)NC1=O 5375726 351342697 /nfs/dbraw/zinc/34/26/97/351342697.db2.gz DMGWZHKSDAHSJK-WCBMZHEXSA-N 0 0 191.230 1.263 10 0 ADAERN CCSc1ncnc2c[nH]nc12 5502254 351344714 /nfs/dbraw/zinc/34/47/14/351344714.db2.gz LXEBJAYFNZVRQJ-UHFFFAOYSA-N 0 0 180.236 1.465 10 0 ADAERN CC(C)CNC(=S)N(C)C 5497925 351344717 /nfs/dbraw/zinc/34/47/17/351344717.db2.gz AYHJIWCHCRTNIW-UHFFFAOYSA-N 0 0 160.286 1.079 10 0 ADAERN O[C@@H](c1ccccc1)c1cnccn1 34115838 351434732 /nfs/dbraw/zinc/43/47/32/351434732.db2.gz QBLVEAMZWMWYHL-NSHDSACASA-N 0 0 186.214 1.558 10 0 ADAERN c1ccc2c(c1)[nH]c1nccn12 34530274 351442752 /nfs/dbraw/zinc/44/27/52/351442752.db2.gz IXPZYJRRDFZWHJ-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN O=Cc1cc(=O)oc2ccccc12 34596620 351444399 /nfs/dbraw/zinc/44/43/99/351444399.db2.gz FCUOBLMMCCBYKO-UHFFFAOYSA-N 0 0 174.155 1.606 10 0 ADAERN OCCOc1ccc2ncccc2c1 19786123 351395561 /nfs/dbraw/zinc/39/55/61/351395561.db2.gz BMJAOCJKQANPRY-UHFFFAOYSA-N 0 0 189.214 1.606 10 0 ADAERN CC[C@@H](C)N(C)c1ncccc1N 37109472 351463409 /nfs/dbraw/zinc/46/34/09/351463409.db2.gz CHSQJTVTRXSTCV-MRVPVSSYSA-N 0 0 179.267 1.899 10 0 ADAERN C[C@@H]1CCC[C@@H](N2C(=O)C=CC2=O)C1 37255930 351465720 /nfs/dbraw/zinc/46/57/20/351465720.db2.gz BEAZZTXOQAHNIM-RKDXNWHRSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@@H](c1ccc(O)cc1)N(C)C(N)=O 38090316 351479583 /nfs/dbraw/zinc/47/95/83/351479583.db2.gz QKGTVOFGOKTYNL-ZETCQYMHSA-N 0 0 194.234 1.464 10 0 ADAERN c1ccc2nc(N3CC3)cnc2c1 39134412 351496000 /nfs/dbraw/zinc/49/60/00/351496000.db2.gz RRAXEXOPJDHWGU-UHFFFAOYSA-N 0 0 171.203 1.450 10 0 ADAERN O[C@@H](Cc1ncc[nH]1)c1ccsc1 40261608 351505516 /nfs/dbraw/zinc/50/55/16/351505516.db2.gz HPZBQOBWABEYJO-QMMMGPOBSA-N 0 0 194.259 1.747 10 0 ADAERN O[C@H](Cc1ncc[nH]1)c1ccoc1 40261603 351505518 /nfs/dbraw/zinc/50/55/18/351505518.db2.gz ONQFDNDPQPBNPE-MRVPVSSYSA-N 0 0 178.191 1.279 10 0 ADAERN O[C@H](Cc1ncc[nH]1)c1cccs1 40261585 351505523 /nfs/dbraw/zinc/50/55/23/351505523.db2.gz DFIQOCPWPIHCIN-SSDOTTSWSA-N 0 0 194.259 1.747 10 0 ADAERN O[C@H](Cc1ncc[nH]1)C1CCCCC1 40261382 351505525 /nfs/dbraw/zinc/50/55/25/351505525.db2.gz ZNIPPCWBEWRMEP-SNVBAGLBSA-N 0 0 194.278 1.893 10 0 ADAERN O[C@@H](c1cccs1)[C@H]1CCCO1 40247513 351505529 /nfs/dbraw/zinc/50/55/29/351505529.db2.gz YXNVVNCIKKJRNH-VXNVDRBHSA-N 0 0 184.260 1.961 10 0 ADAERN c1cc2cc(-n3cnnc3)ccc2[nH]1 82200572 351635005 /nfs/dbraw/zinc/63/50/05/351635005.db2.gz IMEDVUXFLMWCMH-UHFFFAOYSA-N 0 0 184.202 1.749 10 0 ADAERN OCc1nc2ccccc2n1C1CC1 70162366 351601704 /nfs/dbraw/zinc/60/17/04/351601704.db2.gz SEPFSIPVZDIAKV-UHFFFAOYSA-N 0 0 188.230 1.864 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)CO2)s1 258176491 351860507 /nfs/dbraw/zinc/86/05/07/351860507.db2.gz FBVTYGJJSMWDJB-ZETCQYMHSA-N 0 0 197.259 1.244 10 0 ADAERN C[C@]1([C@H]2CCCCO2)CNC(=O)O1 258264254 351861324 /nfs/dbraw/zinc/86/13/24/351861324.db2.gz ICYFLOJJXSYXAT-VXNVDRBHSA-N 0 0 185.223 1.054 10 0 ADAERN O=C1N[C@@H]([C@H]2CCCSC2)CO1 258372337 351861329 /nfs/dbraw/zinc/86/13/29/351861329.db2.gz MJWPQJHIVYBLKN-NKWVEPMBSA-N 0 0 187.264 1.238 10 0 ADAERN CCOn1ncc2cccc(N)c21 89200790 351662794 /nfs/dbraw/zinc/66/27/94/351662794.db2.gz RVCBJGBXNLFCBJ-UHFFFAOYSA-N 0 0 177.207 1.067 10 0 ADAERN O=Cc1ccc2[nH]nc(C=O)c2c1 89195749 351662910 /nfs/dbraw/zinc/66/29/10/351662910.db2.gz NNFMMCGSZOZWCX-UHFFFAOYSA-N 0 0 174.159 1.188 10 0 ADAERN O=Cc1cnc([C@H]2CCCO2)o1 259533143 351876258 /nfs/dbraw/zinc/87/62/58/351876258.db2.gz BFCHEYVRRHYQMD-SSDOTTSWSA-N 0 0 167.164 1.339 10 0 ADAERN COC(=O)Cc1ccc(F)cc1C=O 260282330 351884885 /nfs/dbraw/zinc/88/48/85/351884885.db2.gz VYLIFPKZCIVDFU-UHFFFAOYSA-N 0 0 196.177 1.354 10 0 ADAERN COC(=O)c1cc(OC)c(F)cc1C 261111210 351889111 /nfs/dbraw/zinc/88/91/11/351889111.db2.gz FZUBSCBIFJDWFT-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C1(F)CCCC1 306156893 351901916 /nfs/dbraw/zinc/90/19/16/351901916.db2.gz LLWGDAYUVOHEOU-JGVFFNPUSA-N 0 0 185.242 1.793 10 0 ADAERN c1nc2cc3nsnc3cc2[nH]1 95922781 351675572 /nfs/dbraw/zinc/67/55/72/351675572.db2.gz GOFSAZUXDVACHA-UHFFFAOYSA-N 0 0 176.204 1.568 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1cnns1 306687782 351955680 /nfs/dbraw/zinc/95/56/80/351955680.db2.gz IBJHZABBKMBLQE-RITPCOANSA-N 0 0 197.263 1.066 10 0 ADAERN CC(C)C(=O)N1C[C@@H]2CCC[C@H]21 306699993 351956960 /nfs/dbraw/zinc/95/69/60/351956960.db2.gz YBLXPGQNNAQYTD-DTWKUNHWSA-N 0 0 167.252 1.653 10 0 ADAERN C/C=C/CNC(=O)N1CCCC1 306998196 351980191 /nfs/dbraw/zinc/98/01/91/351980191.db2.gz XWPRFHFRQBXNGL-NSCUHMNNSA-N 0 0 168.240 1.368 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N(C)CC(F)F 308287189 352047679 /nfs/dbraw/zinc/04/76/79/352047679.db2.gz FBEWTGHAGKMQOP-PHDIDXHHSA-N 0 0 192.209 1.301 10 0 ADAERN CC[C@H](C)NC(=O)NCCCCF 308290108 352047681 /nfs/dbraw/zinc/04/76/81/352047681.db2.gz GOPYYALXWKLSTG-QMMMGPOBSA-N 0 0 190.262 1.834 10 0 ADAERN COCCCC(=O)N[C@@H](C)C(C)C 308267610 352047697 /nfs/dbraw/zinc/04/76/97/352047697.db2.gz QGYREAGEYHEYMX-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN c1nnc(N2CC[C@H](C3CC3)C2)s1 335157529 352090601 /nfs/dbraw/zinc/09/06/01/352090601.db2.gz ZSJSWPNZQNEYJV-QMMMGPOBSA-N 0 0 195.291 1.774 10 0 ADAERN COc1ccc(F)cc1 503983660 229138679 /nfs/dbraw/zinc/13/86/79/229138679.db2.gz YMHVNFPIEMWYHA-UHFFFAOYSA-N 0 0 125.122 1.743 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C1CCC(=O)CC1 336044360 352123949 /nfs/dbraw/zinc/12/39/49/352123949.db2.gz ZWJAEGDAUMWPRM-XCBNKYQSSA-N 0 0 195.262 1.270 10 0 ADAERN CC(C)C[C@@]1(C)CC(=O)N(C)C1=O 336552306 352145576 /nfs/dbraw/zinc/14/55/76/352145576.db2.gz BVROFURMFNAKJZ-JTQLQIEISA-N 0 0 183.251 1.428 10 0 ADAERN C[C@@H](O)C(=O)NCC[C@H]1CC=CCC1 529870655 352184261 /nfs/dbraw/zinc/18/42/61/352184261.db2.gz VATZAXOQSPQBMJ-ZJUUUORDSA-N 0 0 197.278 1.230 10 0 ADAERN O=C1CCC[C@@H]1N1CC(C(F)F)C1 575449890 352209304 /nfs/dbraw/zinc/20/93/04/352209304.db2.gz VBWWKDDOBRLVJC-ZETCQYMHSA-N 0 0 189.205 1.305 10 0 ADAERN C[C@@H]1CCN1c1ncccc1N 575472026 352288888 /nfs/dbraw/zinc/28/88/88/352288888.db2.gz NEDWJEMEAPCBIL-SSDOTTSWSA-N 0 0 163.224 1.262 10 0 ADAERN Cn1ncnc1C1CCC(=O)CC1 575475512 352292469 /nfs/dbraw/zinc/29/24/69/352292469.db2.gz WIDRGHHTQDQZQU-UHFFFAOYSA-N 0 0 179.223 1.042 10 0 ADAERN C[N@@H+]1C[C@H]([C@H](F)C(=O)[O-])CC1(C)C 575478467 352295498 /nfs/dbraw/zinc/29/54/98/352295498.db2.gz GNRFLESPFOKKGS-RQJHMYQMSA-N 0 0 189.230 1.139 10 0 ADAERN C[N@@H+]1C/C(=C(\F)C(=O)[O-])CC1(C)C 575478442 352295511 /nfs/dbraw/zinc/29/55/11/352295511.db2.gz GARJWQYWMIAIBQ-SREVYHEPSA-N 0 0 187.214 1.409 10 0 ADAERN C[N@@H+]1C[C@H]([C@@H](F)C(=O)[O-])CC1(C)C 575478465 352295534 /nfs/dbraw/zinc/29/55/34/352295534.db2.gz GNRFLESPFOKKGS-RNFRBKRXSA-N 0 0 189.230 1.139 10 0 ADAERN C[N@@H+]1C[C@@H]([C@H](F)C(=O)[O-])CC1(C)C 575478462 352295563 /nfs/dbraw/zinc/29/55/63/352295563.db2.gz GNRFLESPFOKKGS-BQBZGAKWSA-N 0 0 189.230 1.139 10 0 ADAERN NC1=NC2(CCC(F)(F)CC2)CO1 575451253 352213401 /nfs/dbraw/zinc/21/34/01/352213401.db2.gz YXSKWAHXLOHVDN-UHFFFAOYSA-N 0 0 190.193 1.489 10 0 ADAERN Cc1c[nH]c(=S)n1[C@@H]1COC[C@@H]1C 575456733 352231170 /nfs/dbraw/zinc/23/11/70/352231170.db2.gz LBLIHPUMFYVTFE-POYBYMJQSA-N 0 0 198.291 1.688 10 0 ADAERN NC(=S)C[C@@H]1CC1(F)F 575456747 352231877 /nfs/dbraw/zinc/23/18/77/352231877.db2.gz LTHUFUWGYCSNOC-GSVOUGTGSA-N 0 0 151.181 1.318 10 0 ADAERN C1=C(CNc2cncnc2)CSC1 575458054 352235022 /nfs/dbraw/zinc/23/50/22/352235022.db2.gz XQCIMOICBFXJNK-UHFFFAOYSA-N 0 0 193.275 1.562 10 0 ADAERN S=c1[nH]ccn1Cc1ccsn1 575458544 352237257 /nfs/dbraw/zinc/23/72/57/352237257.db2.gz BBQMMKFRPYLXKK-UHFFFAOYSA-N 0 0 197.288 1.677 10 0 ADAERN Cc1c(N[C@H]2CCSC2)nnn1C 575461645 352248989 /nfs/dbraw/zinc/24/89/89/352248989.db2.gz SZWKRGQWCWOIEV-ZETCQYMHSA-N 0 0 198.295 1.041 10 0 ADAERN O=C1CO[C@@H](c2ccccc2F)C1 575462720 352253075 /nfs/dbraw/zinc/25/30/75/352253075.db2.gz DUUDAVJFUJABCG-SNVBAGLBSA-N 0 0 180.178 1.856 10 0 ADAERN O=C(Cc1ccns1)C1CC1 575463569 352255167 /nfs/dbraw/zinc/25/51/67/352255167.db2.gz VZGPFZXCOZYUHU-UHFFFAOYSA-N 0 0 167.233 1.665 10 0 ADAERN C[C@]1(Cc2ccsc2)CC(=O)NN1 575463696 352255912 /nfs/dbraw/zinc/25/59/12/352255912.db2.gz OVEFCDKLUWYFHT-VIFPVBQESA-N 0 0 196.275 1.074 10 0 ADAERN CC1CN(Cc2ccnc(Cl)n2)C1 575464372 352258474 /nfs/dbraw/zinc/25/84/74/352258474.db2.gz XOVDQPKTXMGQBJ-UHFFFAOYSA-N 0 0 197.669 1.582 10 0 ADAERN O=C1CCN(Cc2ccc(Cl)o2)C1 575464275 352258492 /nfs/dbraw/zinc/25/84/92/352258492.db2.gz IGYFHVSUJKHBBG-UHFFFAOYSA-N 0 0 199.637 1.708 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ccncc1F 575464669 352259701 /nfs/dbraw/zinc/25/97/01/352259701.db2.gz YTNMQIXAHIWYBU-XVKPBYJWSA-N 0 0 180.226 1.853 10 0 ADAERN COc1cnc(C2CC2)nc1F 575467271 352270276 /nfs/dbraw/zinc/27/02/76/352270276.db2.gz JDLCNWOHXQPVBT-UHFFFAOYSA-N 0 0 168.171 1.502 10 0 ADAERN C[C@@H]1COC[C@@]1([NH3+])c1ccsc1 575468822 352276332 /nfs/dbraw/zinc/27/63/32/352276332.db2.gz OHHFWTFTHGYMLP-APPZFPTMSA-N 0 0 183.276 1.568 10 0 ADAERN C[C@@H]1COC[C@]1([NH3+])c1ccsc1 575468825 352276450 /nfs/dbraw/zinc/27/64/50/352276450.db2.gz OHHFWTFTHGYMLP-VXNVDRBHSA-N 0 0 183.276 1.568 10 0 ADAERN Cc1cc([C@H]2CC(=O)CO2)sn1 575469036 352277865 /nfs/dbraw/zinc/27/78/65/352277865.db2.gz UQHJKSYIVSXRJR-SSDOTTSWSA-N 0 0 183.232 1.482 10 0 ADAERN C[N@@H+]1C/C(=C/C(=O)[O-])CC1(C)C 575478473 352295572 /nfs/dbraw/zinc/29/55/72/352295572.db2.gz GSCPQBSJIVDJOL-QPJJXVBHSA-N 0 0 169.224 1.112 10 0 ADAERN CCNC(=S)N[C@]12CCC[C@H]1C2 575480754 352306817 /nfs/dbraw/zinc/30/68/17/352306817.db2.gz ODTCQPFIYFLFHE-CBAPKCEASA-N 0 0 184.308 1.413 10 0 ADAERN Fc1cncc(NCC(F)F)n1 575482970 352318822 /nfs/dbraw/zinc/31/88/22/352318822.db2.gz MZVGVNOEZZYVDZ-UHFFFAOYSA-N 0 0 177.129 1.293 10 0 ADAERN CC1CC(c2nnc([C@H](C)N)o2)C1 575487130 352341322 /nfs/dbraw/zinc/34/13/22/352341322.db2.gz PJSSFHNUVPECFV-HUDPQJTASA-N 0 0 181.239 1.603 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]([NH+]2CCCCC2)C1 575491359 352361502 /nfs/dbraw/zinc/36/15/02/352361502.db2.gz IROOJEVPIJQBHE-DTORHVGOSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H]1C[C@H](Nc2cnsc2)CO1 575492482 352367717 /nfs/dbraw/zinc/36/77/17/352367717.db2.gz IGFLJEPMRFWQDH-BQBZGAKWSA-N 0 0 184.264 1.732 10 0 ADAERN C[C@H]1C[C@@H](Nc2cnsc2)CO1 575492483 352367743 /nfs/dbraw/zinc/36/77/43/352367743.db2.gz IGFLJEPMRFWQDH-NKWVEPMBSA-N 0 0 184.264 1.732 10 0 ADAERN CC1(C)[C@@H](Nc2cnsc2)C[C@H]1O 575493269 352371718 /nfs/dbraw/zinc/37/17/18/352371718.db2.gz DFSWFZNUJQCHFL-JGVFFNPUSA-N 0 0 198.291 1.714 10 0 ADAERN CC(=C/C(=O)[O-])/C=C1/CC[N@@H+](C)C1 575519413 352506850 /nfs/dbraw/zinc/50/68/50/352506850.db2.gz SBRSREXEPBFGFV-VZPCVYTNSA-N 0 0 181.235 1.279 10 0 ADAERN c1csc(NC[C@]23COC[C@H]2C3)n1 575519952 352510233 /nfs/dbraw/zinc/51/02/33/352510233.db2.gz AJKZEFAMOZZHPJ-VXNVDRBHSA-N 0 0 196.275 1.592 10 0 ADAERN C[C@@H]1CC(N(C)C(N)=O)C[C@@H](C)C1 575521639 352518172 /nfs/dbraw/zinc/51/81/72/352518172.db2.gz CSSZRQHCNPCUJS-YUMQZZPRSA-N 0 0 184.283 1.822 10 0 ADAERN Cc1nc(N2CC(C)C2)sc1C[NH3+] 575522206 352521423 /nfs/dbraw/zinc/52/14/23/352521423.db2.gz ZYUPLYVPSSSPDB-UHFFFAOYSA-N 0 0 197.307 1.366 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1cncn1C 575522171 352521428 /nfs/dbraw/zinc/52/14/28/352521428.db2.gz ZABBMWZFJUSJHH-RNFRBKRXSA-N 0 0 164.208 1.259 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1cncn1C 575522170 352521446 /nfs/dbraw/zinc/52/14/46/352521446.db2.gz ZABBMWZFJUSJHH-NKWVEPMBSA-N 0 0 164.208 1.259 10 0 ADAERN O=Cc1nc(C2(Cl)CC2)c[nH]1 575505984 352433235 /nfs/dbraw/zinc/43/32/35/352433235.db2.gz WJMMTMIPZRRSPY-UHFFFAOYSA-N 0 0 170.599 1.450 10 0 ADAERN Cc1c(F)ncnc1N[C@H]1C[C@@H]1C 575513357 352477088 /nfs/dbraw/zinc/47/70/88/352477088.db2.gz ABRDLHASGSJOEP-FSPLSTOPSA-N 0 0 181.214 1.744 10 0 ADAERN CC(C)(C)C[C@]1(C)NC(=O)CC1=O 575513987 352481192 /nfs/dbraw/zinc/48/11/92/352481192.db2.gz HIRHHPHEAZJRQI-JTQLQIEISA-N 0 0 183.251 1.270 10 0 ADAERN Nc1cc([C@H]2C[C@@H]2C2CC2)no1 575513921 352481540 /nfs/dbraw/zinc/48/15/40/352481540.db2.gz BVKFBKSLTHUNAE-RQJHMYQMSA-N 0 0 164.208 1.770 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@@H]1C[C@H]1C 575545710 352622718 /nfs/dbraw/zinc/62/27/18/352622718.db2.gz JEWPGZBOOXPRRY-DQUBFYRCSA-N 0 0 167.252 1.557 10 0 ADAERN Cc1nc(-c2c(N)cnn2C)cs1 575523096 352524063 /nfs/dbraw/zinc/52/40/63/352524063.db2.gz GJWSXDWNWIMEBH-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN O=C1CCC[C@@H]1Cc1cnccn1 575525079 352532937 /nfs/dbraw/zinc/53/29/37/352532937.db2.gz ZYSYNYGUUNRWGA-MRVPVSSYSA-N 0 0 176.219 1.388 10 0 ADAERN CC1CN(c2ncc(C=O)s2)C1 575528616 352548431 /nfs/dbraw/zinc/54/84/31/352548431.db2.gz NNIVJCRLCFUFDV-UHFFFAOYSA-N 0 0 182.248 1.412 10 0 ADAERN O=C1CCN(C2(C(F)F)CC2)CC1 575530699 352557333 /nfs/dbraw/zinc/55/73/33/352557333.db2.gz KUPOSIATPGUGHC-UHFFFAOYSA-N 0 0 189.205 1.449 10 0 ADAERN Cc1cocc1[C@H]1COCC1=O 575530819 352558142 /nfs/dbraw/zinc/55/81/42/352558142.db2.gz KMVPNXFJLDNYAP-MRVPVSSYSA-N 0 0 166.176 1.271 10 0 ADAERN CN1CC[C@H](C(=O)c2ccns2)C1 575531514 352561548 /nfs/dbraw/zinc/56/15/48/352561548.db2.gz PPSWYPCAVUJLQN-ZETCQYMHSA-N 0 0 196.275 1.278 10 0 ADAERN Cc1ncsc1[C@@H](O)c1ncc[nH]1 575533329 352570433 /nfs/dbraw/zinc/57/04/33/352570433.db2.gz FDSQRCGQYFTQDA-ZCFIWIBFSA-N 0 0 195.247 1.256 10 0 ADAERN CCc1nc([C@@]2(C)C[C@H]2C)n[nH]1 575533580 352571858 /nfs/dbraw/zinc/57/18/58/352571858.db2.gz SQCWTAIXYMQOSM-MUWHJKNJSA-N 0 0 165.240 1.665 10 0 ADAERN C[C@@H]1CC[C@H](N(C)C(N)=O)CS1 575534428 352574771 /nfs/dbraw/zinc/57/47/71/352574771.db2.gz JNFLRHBBIAGOFI-RQJHMYQMSA-N 0 0 188.296 1.281 10 0 ADAERN CC(C)[C@]1(C)C[NH2+]C[C@]1(F)C(=O)[O-] 575535254 352578592 /nfs/dbraw/zinc/57/85/92/352578592.db2.gz SGQQEDWKSVHORH-IUCAKERBSA-N 0 0 189.230 1.045 10 0 ADAERN C=CC(=O)N[C@H]1CC[C@H](C)SC1 575535603 352580546 /nfs/dbraw/zinc/58/05/46/352580546.db2.gz XVINDYXSXHNPTC-YUMQZZPRSA-N 0 0 185.292 1.573 10 0 ADAERN C[C@@H]1CC[C@]2(CNC(=O)[C@@H]2C)CS1 575535653 352580572 /nfs/dbraw/zinc/58/05/72/352580572.db2.gz ZCQSXXXFCGVJJC-WEDXCCLWSA-N 0 0 199.319 1.654 10 0 ADAERN Cc1nc([C@H]2CC23CC3)n[nH]1 575536884 352586988 /nfs/dbraw/zinc/58/69/88/352586988.db2.gz DYQUPDZFJUZWSH-ZCFIWIBFSA-N 0 0 149.197 1.381 10 0 ADAERN C[C@@]1(C[C@@H]2CCOC2)CO1 575536942 352586992 /nfs/dbraw/zinc/58/69/92/352586992.db2.gz HQJAWAKOHVGWJM-JGVFFNPUSA-N 0 0 142.198 1.202 10 0 ADAERN C/C=C/[C@H](O)c1c(C)n[nH]c1C 575537163 352588419 /nfs/dbraw/zinc/58/84/19/352588419.db2.gz RYFRNSQNAPQVGW-ZJELKQJVSA-N 0 0 166.224 1.636 10 0 ADAERN O=C1CC[C@@H](C(=O)[C@@H]2CC23CC3)C1 575538178 352593528 /nfs/dbraw/zinc/59/35/28/352593528.db2.gz LDQYRQONSSHCSA-APPZFPTMSA-N 0 0 178.231 1.725 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1CC(=O)CO1 575538273 352594409 /nfs/dbraw/zinc/59/44/09/352594409.db2.gz MASALJBYNPNKGV-DTLFHODZSA-N 0 0 140.182 1.000 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1ccco1 575538357 352594437 /nfs/dbraw/zinc/59/44/37/352594437.db2.gz PWONYSSPCSQQFS-SFYZADRCSA-N 0 0 180.203 1.745 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccc(F)cc1 575540995 352605677 /nfs/dbraw/zinc/60/56/77/352605677.db2.gz HWQFHXVNJJPXBE-UWVGGRQHSA-N 0 0 181.210 1.761 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1cncc(Cl)c1 575544172 352617670 /nfs/dbraw/zinc/61/76/70/352617670.db2.gz CHBDXCSKKKQFRL-DTWKUNHWSA-N 0 0 198.653 1.670 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1[C@H]1CC12CC2 575553548 352649052 /nfs/dbraw/zinc/64/90/52/352649052.db2.gz ZUIPEMKXXDPXSN-XAVMHZPKSA-N 0 0 179.263 1.557 10 0 ADAERN C[C@H](NC=O)c1ccc(N)cc1 575553644 352649065 /nfs/dbraw/zinc/64/90/65/352649065.db2.gz BWLXBJZEVRZJEE-ZETCQYMHSA-N 0 0 164.208 1.076 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H]2CC(=O)NN2)C1 575553530 352649072 /nfs/dbraw/zinc/64/90/72/352649072.db2.gz ZUDQNJKNDFKYAA-HLTSFMKQSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H](NC=O)c1ccc(N)cc1 575553643 352649076 /nfs/dbraw/zinc/64/90/76/352649076.db2.gz BWLXBJZEVRZJEE-SSDOTTSWSA-N 0 0 164.208 1.076 10 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/nfs/dbraw/zinc/64/45/84/352644584.db2.gz IYLZORQETBNVKI-YUMQZZPRSA-N 0 0 165.236 1.455 10 0 ADAERN CC[C@]1([C@@H]2CC2(C)C)CC(=O)NN1 575552234 352644866 /nfs/dbraw/zinc/64/48/66/352644866.db2.gz KOCSEFGPXLBQQF-GMSGAONNSA-N 0 0 182.267 1.206 10 0 ADAERN CCC1CCC2(CC1)CC(=O)NN2 575552287 352644914 /nfs/dbraw/zinc/64/49/14/352644914.db2.gz OOMXFVCBWVTOFL-UHFFFAOYSA-N 0 0 182.267 1.350 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1CNN 575553437 352648268 /nfs/dbraw/zinc/64/82/68/352648268.db2.gz ZOJDHHHEJLCONC-NKWVEPMBSA-N 0 0 142.246 1.132 10 0 ADAERN CC(C)C(C)(C)N1CN=NC1=S 575553487 352648269 /nfs/dbraw/zinc/64/82/69/352648269.db2.gz USVCFCVTZCFZNV-UHFFFAOYSA-N 0 0 185.296 1.958 10 0 ADAERN Fc1cncc(NC2CSC2)n1 575561630 352682147 /nfs/dbraw/zinc/68/21/47/352682147.db2.gz RBWFNSCWQWNSSZ-UHFFFAOYSA-N 0 0 185.227 1.143 10 0 ADAERN O[C@H](C[C@@H]1CO1)c1cccs1 575562400 352685956 /nfs/dbraw/zinc/68/59/56/352685956.db2.gz OTKIZANNBNVLRA-RNFRBKRXSA-N 0 0 170.233 1.570 10 0 ADAERN O=C1N[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)CO1 575562583 352687493 /nfs/dbraw/zinc/68/74/93/352687493.db2.gz JWPIJHXAEPLJFB-YWIQKCBGSA-N 0 0 167.208 1.141 10 0 ADAERN Cc1nc([C@H]([NH3+])[C@@H]2C[C@H]2C)cn1C 575563854 352692796 /nfs/dbraw/zinc/69/27/96/352692796.db2.gz VAXPVSLMBKJJQH-GTNGPMTGSA-N 0 0 179.267 1.384 10 0 ADAERN C[C@@]1(c2ncc(C=O)o2)C[C@@H]1F 575565529 352702160 /nfs/dbraw/zinc/70/21/60/352702160.db2.gz CAYASRCSTKUHKD-POYBYMJQSA-N 0 0 169.155 1.487 10 0 ADAERN Cc1nsc([C@@]2(N)CC2(C)C)n1 575565567 352702233 /nfs/dbraw/zinc/70/22/33/352702233.db2.gz LLYRWWSZTXZXRB-QMMMGPOBSA-N 0 0 183.280 1.430 10 0 ADAERN O=C1NC[C@@](C2CCC2)(C2CC2)O1 575567242 352710639 /nfs/dbraw/zinc/71/06/39/352710639.db2.gz ODSIQSUSDSKCMY-SNVBAGLBSA-N 0 0 181.235 1.675 10 0 ADAERN C[C@@H](F)CCN1CN=NC1=S 575567274 352710643 /nfs/dbraw/zinc/71/06/43/352710643.db2.gz YYLIEKDPUVPNGW-RXMQYKEDSA-N 0 0 175.232 1.315 10 0 ADAERN C[C@@H]1CCC[C@H]([C@H]([NH3+])C(=O)[O-])CC1 575568517 352717052 /nfs/dbraw/zinc/71/70/52/352717052.db2.gz DZLKTNIRUUMVGF-VGMNWLOBSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@H]([NH3+])C(=O)[O-])CC1 575568514 352717206 /nfs/dbraw/zinc/71/72/06/352717206.db2.gz DZLKTNIRUUMVGF-HLTSFMKQSA-N 0 0 185.267 1.615 10 0 ADAERN CC1(C)CCC[C@@H]1[C@@H]([NH3+])C(=O)[O-] 575570558 352726156 /nfs/dbraw/zinc/72/61/56/352726156.db2.gz UXVKXOMWZGKZBU-RNFRBKRXSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1ncnn1C 575572121 352734860 /nfs/dbraw/zinc/73/48/60/352734860.db2.gz MLDYWIUBDGZPOZ-MUWHJKNJSA-N 0 0 179.223 1.044 10 0 ADAERN COCC(=O)[C@]1(C)C[C@@H]1C 575573357 352740783 /nfs/dbraw/zinc/74/07/83/352740783.db2.gz UXQQCVWYPIVWJI-POYBYMJQSA-N 0 0 142.198 1.248 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cncn1C 575573759 352742926 /nfs/dbraw/zinc/74/29/26/352742926.db2.gz ZYCUEBMRCUFVTB-XCBNKYQSSA-N 0 0 178.235 1.649 10 0 ADAERN CCC(=O)Nc1cccc(F)c1O 575574103 352744649 /nfs/dbraw/zinc/74/46/49/352744649.db2.gz ICAJVVLEUVONQA-UHFFFAOYSA-N 0 0 183.182 1.880 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1ccsn1 575575912 352754190 /nfs/dbraw/zinc/75/41/90/352754190.db2.gz GJTWQNWHIKCYHP-NKWVEPMBSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@H]1CCC(=O)[C@H]([C@@H]2CC[C@@H]2O)C1 575577210 352760657 /nfs/dbraw/zinc/76/06/57/352760657.db2.gz JPSMAUWBXIANJG-KATARQTJSA-N 0 0 182.263 1.763 10 0 ADAERN C[C@H]1CCN1c1ncc(C=O)s1 575578638 352768447 /nfs/dbraw/zinc/76/84/47/352768447.db2.gz XISTWQDNUWQVRS-LURJTMIESA-N 0 0 182.248 1.554 10 0 ADAERN Cn1nc(-c2ccsn2)cc1N 575578654 352768450 /nfs/dbraw/zinc/76/84/50/352768450.db2.gz YCVHXEPHSQLSMS-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cc1ccsc1[C@H]1NNC(=O)[C@H]1C 575579981 352774912 /nfs/dbraw/zinc/77/49/12/352774912.db2.gz PZXNJSHZCYPGEX-BQBZGAKWSA-N 0 0 196.275 1.368 10 0 ADAERN C[C@H](N)c1ncc([C@@]2(C)C[C@@H]2C)o1 575582848 352790136 /nfs/dbraw/zinc/79/01/36/352790136.db2.gz IFWBARYQWWPWOY-BYULHYEWSA-N 0 0 180.251 1.992 10 0 ADAERN Nc1cnc2sncc2c1Cl 575587824 352814012 /nfs/dbraw/zinc/81/40/12/352814012.db2.gz NLQAUDZXXDYGCX-UHFFFAOYSA-N 0 0 185.639 1.927 10 0 ADAERN Nc1ccccc1O[C@@H]1CC[C@@H]1O 575593584 352844437 /nfs/dbraw/zinc/84/44/37/352844437.db2.gz JOGRPCOYDBTPLS-WCBMZHEXSA-N 0 0 179.219 1.171 10 0 ADAERN Nc1ccccc1O[C@@H]1CC[C@H]1O 575593582 352844547 /nfs/dbraw/zinc/84/45/47/352844547.db2.gz JOGRPCOYDBTPLS-PSASIEDQSA-N 0 0 179.219 1.171 10 0 ADAERN C[C@@H]1COC[C@H]1c1ncc(C=O)o1 575576238 352755745 /nfs/dbraw/zinc/75/57/45/352755745.db2.gz JEINFLLKXVMGNP-HTRCEHHLSA-N 0 0 181.191 1.237 10 0 ADAERN C[C@@H]1CC(=N)NN=C1[C@@H]1CCCO1 575576546 352756890 /nfs/dbraw/zinc/75/68/90/352756890.db2.gz TUTYXCNOQISGCA-RQJHMYQMSA-N 0 0 181.239 1.128 10 0 ADAERN Nc1cc([C@@H]2CC23CC3)no1 575594200 352848114 /nfs/dbraw/zinc/84/81/14/352848114.db2.gz DOVZCWBVRGZULX-YFKPBYRVSA-N 0 0 150.181 1.524 10 0 ADAERN Cc1c([C@H]2CC23CC3)noc1N 575594226 352848126 /nfs/dbraw/zinc/84/81/26/352848126.db2.gz FBSCRZSMHWNYPA-ZCFIWIBFSA-N 0 0 164.208 1.833 10 0 ADAERN Nc1cc([C@H]2CC23CC3)no1 575594199 352848131 /nfs/dbraw/zinc/84/81/31/352848131.db2.gz DOVZCWBVRGZULX-RXMQYKEDSA-N 0 0 150.181 1.524 10 0 ADAERN Cc1c([C@H]2CC23CC3)nn(C)c1N 575594772 352850790 /nfs/dbraw/zinc/85/07/90/352850790.db2.gz MYFREYVIBBEJSW-SSDOTTSWSA-N 0 0 177.251 1.578 10 0 ADAERN Cc1nnc(Cl)n1[C@H](C)CF 575595487 352855553 /nfs/dbraw/zinc/85/55/53/352855553.db2.gz LCPPOSOXOSENTL-SCSAIBSYSA-N 0 0 177.610 1.770 10 0 ADAERN Fc1cccc2ncnc(F)c12 575595890 352857726 /nfs/dbraw/zinc/85/77/26/352857726.db2.gz AMYCQFODLKNKEB-UHFFFAOYSA-N 0 0 166.130 1.908 10 0 ADAERN Cc1nnccc1-c1nnc(Cl)o1 575597950 352861042 /nfs/dbraw/zinc/86/10/42/352861042.db2.gz QLTICYSCRMAKOY-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN Clc1noc([C@]23COC[C@H]2C3)n1 575600324 352863387 /nfs/dbraw/zinc/86/33/87/352863387.db2.gz PNXKZTJXNWWSQW-CLZZGJSISA-N 0 0 186.598 1.011 10 0 ADAERN C[C@H]1CN(c2cncc(F)n2)[C@H]1C 575600485 352863487 /nfs/dbraw/zinc/86/34/87/352863487.db2.gz YXDOCFRTDFOGCF-BQBZGAKWSA-N 0 0 181.214 1.460 10 0 ADAERN CCOc1c(C#N)ccc(F)c1CO 575642768 352870843 /nfs/dbraw/zinc/87/08/43/352870843.db2.gz INBPZXVSPPRZOQ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(C#N)cc(CO)c1F 575642660 352870857 /nfs/dbraw/zinc/87/08/57/352870857.db2.gz GKSQHTIMWZERKZ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN N#Cc1cc(CO)c(O)cc1C(F)F 575642901 352870858 /nfs/dbraw/zinc/87/08/58/352870858.db2.gz KOFGWFYPXXJSCP-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1ccc(C#N)c(O)c1CO 575643039 352870863 /nfs/dbraw/zinc/87/08/63/352870863.db2.gz BZIFRMUVAWEJEM-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1c(C#N)ccc(C=O)c1F 575642467 352870865 /nfs/dbraw/zinc/87/08/65/352870865.db2.gz CYZWGHPYRKPCQQ-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1cc(C#N)c(F)c(CO)c1 575642718 352870866 /nfs/dbraw/zinc/87/08/66/352870866.db2.gz HQOHWXNZBABCNM-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1c(F)ccc(C#N)c1CO 575642530 352870886 /nfs/dbraw/zinc/87/08/86/352870886.db2.gz DYPRABAWTZLIKK-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(CO)c(C#N)cc1O 575642968 352870887 /nfs/dbraw/zinc/87/08/87/352870887.db2.gz BKKPJNVLZQLZST-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN N#Cc1ccc(CO)c(O)c1C(F)F 575643021 352870889 /nfs/dbraw/zinc/87/08/89/352870889.db2.gz LTFOEGHWEURHNR-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN N#Cc1cc(C(F)F)cc(O)c1CO 575642586 352870891 /nfs/dbraw/zinc/87/08/91/352870891.db2.gz DTHHDAVRDCQZBX-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(C#N)c(F)cc1CO 575642486 352870893 /nfs/dbraw/zinc/87/08/93/352870893.db2.gz DIRUQQMKGDWGTJ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(C#N)c(C=O)cc1F 575642651 352870998 /nfs/dbraw/zinc/87/09/98/352870998.db2.gz GHYCWEZMKILPPE-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN N#Cc1cc(O)c(C(F)F)c(CO)c1 575642668 352870999 /nfs/dbraw/zinc/87/09/99/352870999.db2.gz GRYYUBMODHVJGF-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(C#N)cc(O)c1CO 575643605 352871702 /nfs/dbraw/zinc/87/17/02/352871702.db2.gz HXPDRSGAXGBBHX-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1cc(O)c(OC)c(C#N)c1 575643252 352871729 /nfs/dbraw/zinc/87/17/29/352871729.db2.gz DVHNAGNPXTVUON-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN Cc1cc(C)c(C#N)c(C=O)c1 575643659 352871731 /nfs/dbraw/zinc/87/17/31/352871731.db2.gz SHVLQWMKKFLVNZ-UHFFFAOYSA-N 0 0 159.188 1.988 10 0 ADAERN CCOc1cc(C#N)cc(CO)c1O 575643579 352871735 /nfs/dbraw/zinc/87/17/35/352871735.db2.gz HQIHRPRNJSHQJJ-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCc1cc(CO)c(C#N)cc1OC 575643742 352871738 /nfs/dbraw/zinc/87/17/38/352871738.db2.gz BVEFSWVDFRWLJX-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCOc1ccc(F)c(CO)c1C#N 575643232 352871740 /nfs/dbraw/zinc/87/17/40/352871740.db2.gz OHYVOXZWDIGUHT-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1c(C#N)cc(F)cc1CO 575643527 352871745 /nfs/dbraw/zinc/87/17/45/352871745.db2.gz RLBBWHYWFXWRGN-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCc1cc(OC)cc(C#N)c1C=O 575643518 352871752 /nfs/dbraw/zinc/87/17/52/352871752.db2.gz BAVFMVARFSWKQB-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCOc1cc(C=O)cc(F)c1C#N 575643428 352871753 /nfs/dbraw/zinc/87/17/53/352871753.db2.gz QOQQRLGZMLCUMO-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1cc(O)cc(C=O)c1C#N 575643438 352871754 /nfs/dbraw/zinc/87/17/54/352871754.db2.gz GFSFDIJSJMISRX-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN CCOc1cc(C=O)c(F)cc1C#N 575643362 352871756 /nfs/dbraw/zinc/87/17/56/352871756.db2.gz PRYXMNHRUPIWGL-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1c(F)ccc(CO)c1C#N 575643533 352871759 /nfs/dbraw/zinc/87/17/59/352871759.db2.gz RMWHENVRPQFJMJ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(CO)c(C#N)cc1F 575643503 352871761 /nfs/dbraw/zinc/87/17/61/352871761.db2.gz RGZOHENEJNNHIE-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1c(C#N)cc(F)cc1C=O 575643238 352871764 /nfs/dbraw/zinc/87/17/64/352871764.db2.gz OILRFOIGLDKANV-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1cc(CO)c(O)cc1C#N 575643245 352871766 /nfs/dbraw/zinc/87/17/66/352871766.db2.gz DQGCBEAZVBUFQB-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1cc(F)cc(C#N)c1C=O 575643364 352871770 /nfs/dbraw/zinc/87/17/70/352871770.db2.gz PTOAFITUCUFKRL-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1cc(OC)cc(O)c1C#N 575643368 352871771 /nfs/dbraw/zinc/87/17/71/352871771.db2.gz FLLPFXRNVPZVRS-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCc1c(C=O)ccc(C#N)c1OC 575643542 352871777 /nfs/dbraw/zinc/87/17/77/352871777.db2.gz BCTHNCJALSZBJZ-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCOc1cc(C#N)c(C=O)cc1O 575643658 352871779 /nfs/dbraw/zinc/87/17/79/352871779.db2.gz IJIKIVFLGDEWGS-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN CCOc1ccc(F)c(C#N)c1CO 575643208 352871784 /nfs/dbraw/zinc/87/17/84/352871784.db2.gz OFVNYJULIKMVFQ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(C#N)cc(F)c1C=O 575643443 352871785 /nfs/dbraw/zinc/87/17/85/352871785.db2.gz QQXDHJCEHSKHSZ-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCc1cc(C)cc(C(N)=O)c1C#N 575643643 352871793 /nfs/dbraw/zinc/87/17/93/352871793.db2.gz BMERTWNHILZIDN-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCc1cc(C#N)c(OC)cc1C=O 575644115 352872131 /nfs/dbraw/zinc/87/21/31/352872131.db2.gz GAFSGEQAJOIKNG-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN COc1ccc(C=O)c(C)c1C#N 575644850 352872975 /nfs/dbraw/zinc/87/29/75/352872975.db2.gz BJMWCCANRMDXPN-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1ccc(C#N)c(CO)c1F 575646012 352875107 /nfs/dbraw/zinc/87/51/07/352875107.db2.gz DUXWLVOHSIMLAF-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1c(F)cc(C#N)cc1C(N)=O 575646661 352875797 /nfs/dbraw/zinc/87/57/97/352875797.db2.gz GUORFBTWZODNNH-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(C(N)=O)cc(C)c1C#N 575647205 352876529 /nfs/dbraw/zinc/87/65/29/352876529.db2.gz PXUSBYLNYDIXHN-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCOc1c(C#N)ccc(CO)c1C 575648152 352877939 /nfs/dbraw/zinc/87/79/39/352877939.db2.gz NWFZCVFAZAEIOH-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN Cc1cc(C#N)c(F)c(CO)c1 575647883 352877941 /nfs/dbraw/zinc/87/79/41/352877941.db2.gz PDSQASSRHYGJTG-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCOc1ccc(C#N)c(CO)c1C 575649256 352878882 /nfs/dbraw/zinc/87/88/82/352878882.db2.gz QGAZVVOUAMDJGV-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(CO)c(OC)cc1C#N 575648844 352878887 /nfs/dbraw/zinc/87/88/87/352878887.db2.gz YTONSFKKCHXCJN-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN COc1cc(C)cc(C=O)c1C#N 575649282 352878888 /nfs/dbraw/zinc/87/88/88/352878888.db2.gz QXCQCEZQIWTMAE-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1cc(CO)c(C#N)cc1F 575648923 352878966 /nfs/dbraw/zinc/87/89/66/352878966.db2.gz RBDHBNJJSDQFBF-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1c(F)ccc(CO)c1C#N 575649490 352879716 /nfs/dbraw/zinc/87/97/16/352879716.db2.gz VJJYCSYHRTWVLM-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN CCOc1cc(C#N)c(C)c(CO)c1 575650527 352881097 /nfs/dbraw/zinc/88/10/97/352881097.db2.gz VROAWYWAWQRZOD-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN COc1cc(O)c(OC)c(C(C)=O)c1 575671135 352885261 /nfs/dbraw/zinc/88/52/61/352885261.db2.gz HOLQEFMAQAXGAG-UHFFFAOYSA-N 0 0 196.202 1.612 10 0 ADAERN CCc1cc(F)c(F)c(C(N)=O)c1 575695769 352887587 /nfs/dbraw/zinc/88/75/87/352887587.db2.gz RAHXTGDLATWXQG-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCOc1cc(C(N)=O)c(O)cc1F 575697146 352889014 /nfs/dbraw/zinc/88/90/14/352889014.db2.gz VDPBJTUCGXXRMI-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN COC(=O)c1ccc(F)c(O)c1C 575713587 352892558 /nfs/dbraw/zinc/89/25/58/352892558.db2.gz DIHYUXVMUBNNIM-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CSc1c(C)cc(C(N)=O)cc1F 575710691 352892561 /nfs/dbraw/zinc/89/25/61/352892561.db2.gz SYROIWIKJRIVAZ-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN CSc1ccc(C(N)=O)c(F)c1C 575709065 352892562 /nfs/dbraw/zinc/89/25/62/352892562.db2.gz HIWJZLSRVROZKN-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COc1cc(N)cc(O)c1C(C)=O 575719194 352900163 /nfs/dbraw/zinc/90/01/63/352900163.db2.gz PAHIIOLBFPHHQF-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN Nc1ccc(F)c(Cl)c1O 575722906 352902614 /nfs/dbraw/zinc/90/26/14/352902614.db2.gz WJDGYOSVDSCUEJ-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN COc1cc(N)cc(C(C)=O)c1N 575722563 352902625 /nfs/dbraw/zinc/90/26/25/352902625.db2.gz GEYFYMMHKJIGDF-UHFFFAOYSA-N 0 0 180.207 1.062 10 0 ADAERN Nc1cc(OC(F)F)c(N)cc1O 575722547 352902626 /nfs/dbraw/zinc/90/26/26/352902626.db2.gz GBGBFLPCSFXGQC-UHFFFAOYSA-N 0 0 190.149 1.158 10 0 ADAERN Nc1cc(Cl)cc(O)c1F 575722770 352902629 /nfs/dbraw/zinc/90/26/29/352902629.db2.gz SZUGCVVRPAWNSC-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN Nc1cc(N)c(OC(F)F)c(O)c1 575723088 352902633 /nfs/dbraw/zinc/90/26/33/352902633.db2.gz OOJZLUPQSPOOQP-UHFFFAOYSA-N 0 0 190.149 1.158 10 0 ADAERN Cc1ccc(O)c(OC(F)F)c1N 575722433 352902635 /nfs/dbraw/zinc/90/26/35/352902635.db2.gz CBXBGSIRABUGCL-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Cc1c(O)ccc(N)c1OC(F)F 575722720 352902638 /nfs/dbraw/zinc/90/26/38/352902638.db2.gz DYNUDTWSTACHGD-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Cc1cc(O)c(OC(F)F)cc1N 575722724 352902641 /nfs/dbraw/zinc/90/26/41/352902641.db2.gz FDCXJHMQDGNJRS-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Nc1ccc(O)c(N)c1OC(F)F 575722649 352902642 /nfs/dbraw/zinc/90/26/42/352902642.db2.gz IDNIJYUZWWCURX-UHFFFAOYSA-N 0 0 190.149 1.158 10 0 ADAERN COc1cc(N)c(OC)c(Cl)c1 575722879 352902643 /nfs/dbraw/zinc/90/26/43/352902643.db2.gz VSADFAVXEJDZHF-UHFFFAOYSA-N 0 0 187.626 1.939 10 0 ADAERN Nc1ccc(C(F)F)c(N)c1O 575722700 352902649 /nfs/dbraw/zinc/90/26/49/352902649.db2.gz LDTGLTKFMRNRPW-UHFFFAOYSA-N 0 0 174.150 1.494 10 0 ADAERN CC(=O)c1cc(N)c(F)c(N)c1 575723104 352902650 /nfs/dbraw/zinc/90/26/50/352902650.db2.gz OTGFCCPQYUBKBV-UHFFFAOYSA-N 0 0 168.171 1.193 10 0 ADAERN CC[C@H](CO)N(C)C(=O)[C@@H]1CC12CC2 643353038 352949163 /nfs/dbraw/zinc/94/91/63/352949163.db2.gz ZBTLQTWNNKYAHJ-BDAKNGLRSA-N 0 0 197.278 1.016 10 0 ADAERN COc1cc(C)cc(C(N)=O)c1OC 575672871 352886131 /nfs/dbraw/zinc/88/61/31/352886131.db2.gz RJCAKBQXWWXPHQ-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN COc1cc(C(N)=O)cc(C)c1OC 575672733 352886135 /nfs/dbraw/zinc/88/61/35/352886135.db2.gz KXIOJKOPQUZVFK-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN CCOc1cc(O)c(F)cc1C(N)=O 575694595 352886993 /nfs/dbraw/zinc/88/69/93/352886993.db2.gz GMBMDQPOROQJAX-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCCCNC(=O)N[C@@H]1CC12CC2 643624390 353004922 /nfs/dbraw/zinc/00/49/22/353004922.db2.gz SHEOQIBAFGLBAV-MRVPVSSYSA-N 0 0 182.267 1.638 10 0 ADAERN CCCCNC(=O)N[C@H]1CC12CC2 643624391 353004923 /nfs/dbraw/zinc/00/49/23/353004923.db2.gz SHEOQIBAFGLBAV-QMMMGPOBSA-N 0 0 182.267 1.638 10 0 ADAERN C[C@@H](CC(C)(C)O)NC(=O)[C@H]1C[C@@H]1C 653779590 409377243 /nfs/dbraw/zinc/37/72/43/409377243.db2.gz HYCPSICBCGOJQH-CIUDSAMLSA-N 0 0 199.294 1.308 10 0 ADAERN CC[C@@H](O)CC(=O)NC[C@@H]1C[C@H]1CC 653812464 409380850 /nfs/dbraw/zinc/38/08/50/409380850.db2.gz NJIKZTCDLSXAOU-KXUCPTDWSA-N 0 0 199.294 1.310 10 0 ADAERN CC[C@](C)(CO)C(=O)N1C[C@@H](C)[C@@H]1C 655112827 409403457 /nfs/dbraw/zinc/40/34/57/409403457.db2.gz KWDORIIYMPVDDV-WCABBAIRSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@@](C)(CO)C(=O)N[C@H]1CC12CC2 655154311 409405254 /nfs/dbraw/zinc/40/52/54/409405254.db2.gz DSOUCURZFWKSKX-WPRPVWTQSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CS2 655463534 409411838 /nfs/dbraw/zinc/41/18/38/409411838.db2.gz YZNBQJWODMLDNA-RYPBNFRJSA-N 0 0 197.303 1.359 10 0 ADAERN Cc1nsc(C)c1Cn1ccnn1 655503790 409413772 /nfs/dbraw/zinc/41/37/72/409413772.db2.gz JIZUSTXROFJUIR-UHFFFAOYSA-N 0 0 194.263 1.400 10 0 ADAERN Cc1cn(CCOC(C)C)nn1 656471774 409436074 /nfs/dbraw/zinc/43/60/74/409436074.db2.gz DKDNOIZWLBANJU-UHFFFAOYSA-N 0 0 169.228 1.012 10 0 ADAERN CCC(C)(C)CCn1cnn(C)c1=O 657254504 409463054 /nfs/dbraw/zinc/46/30/54/409463054.db2.gz CZLNXYXPWAHGCK-UHFFFAOYSA-N 0 0 197.282 1.408 10 0 ADAERN CC1(C)C[C@@H](n2ccsc2=O)CO1 657249980 409463129 /nfs/dbraw/zinc/46/31/29/409463129.db2.gz HZPDDQXKFQOMPO-SSDOTTSWSA-N 0 0 199.275 1.650 10 0 ADAERN CC[C@H](NC(=O)N[C@@H]1C[C@H]1C)C1CC1 660555633 409605123 /nfs/dbraw/zinc/60/51/23/409605123.db2.gz DUDNRMAJDYMPIQ-FKTZTGRPSA-N 0 0 196.294 1.883 10 0 ADAERN C[C@@H](O)CN[C@@H]1CCCC1(F)F 307062087 409614231 /nfs/dbraw/zinc/61/42/31/409614231.db2.gz MDJRABJOJFJWSD-RNFRBKRXSA-N 0 0 179.210 1.145 10 0 ADAERN C[C@H]1CN(Cc2nccs2)[C@H]1C 307103166 409616577 /nfs/dbraw/zinc/61/65/77/409616577.db2.gz HBJNZFUHYXOCIO-YUMQZZPRSA-N 0 0 182.292 1.983 10 0 ADAERN C=Cc1cnccc1CCO 33831398 290735394 /nfs/dbraw/zinc/73/53/94/290735394.db2.gz NEMKMHUCTPZMSO-UHFFFAOYSA-N 0 0 149.193 1.259 10 0 biogenic,in-vitro ADAERN CC1=C(CO)C(C)(C)C[C@@H](O)C1 34223481 290736448 /nfs/dbraw/zinc/73/64/48/290736448.db2.gz JQMCHZCJLKMHFF-QMMMGPOBSA-N 0 0 170.252 1.476 10 0 biogenic,in-vitro ADAERN CCC1CCC(O)([C@H](C)O)CC1 84154564 290736954 /nfs/dbraw/zinc/73/69/54/290736954.db2.gz FNBDLUIIXJZFMB-IDKOKCKLSA-N 0 0 172.268 1.699 10 0 biogenic,in-vitro ADAERN CCCCC[C@H]1OC(=O)C[C@H]1O 3951273 290736967 /nfs/dbraw/zinc/73/69/67/290736967.db2.gz NVARDNCEKDHHJR-HTQZYQBOSA-N 0 0 172.224 1.243 10 0 biogenic,in-vitro ADAERN CCCCC[C@@H]1OC(=O)C[C@@H]1O 1545188 290736997 /nfs/dbraw/zinc/73/69/97/290736997.db2.gz NVARDNCEKDHHJR-YUMQZZPRSA-N 0 0 172.224 1.243 10 0 biogenic,in-vitro ADAERN CCCCC[C@@H]1OC(=O)C[C@H]1O 13462310 290737013 /nfs/dbraw/zinc/73/70/13/290737013.db2.gz NVARDNCEKDHHJR-SFYZADRCSA-N 0 0 172.224 1.243 10 0 biogenic,in-vitro ADAERN C[C@@H](O)C1CCC(=O)CC1 84154572 290738086 /nfs/dbraw/zinc/73/80/86/290738086.db2.gz HULMWORCWDJDCV-ZCFIWIBFSA-N 0 0 142.198 1.127 10 0 biogenic,in-vitro ADAERN COc1cc2[nH]c(=O)oc2cc1OC 33833272 290738092 /nfs/dbraw/zinc/73/80/92/290738092.db2.gz GSVPAQDMBSXJEG-UHFFFAOYSA-N 0 0 195.174 1.138 10 0 biogenic,in-vitro ADAERN CO[C@](C)(CO)c1ccc(C)cc1O 14588703 290738106 /nfs/dbraw/zinc/73/81/06/290738106.db2.gz UIFXVMBLXKQBOK-LLVKDONJSA-N 0 0 196.246 1.555 10 0 biogenic,in-vitro ADAERN C[C@@H]1C(=O)OC[C@@H]2[C@@H](C)CC[C@H]12 4098342 290738457 /nfs/dbraw/zinc/73/84/57/290738457.db2.gz LYEFRAMOOLOUKA-RBXMUDONSA-N 0 0 168.236 1.842 10 0 biogenic,in-vitro ADAERN C[C@@H]1CC[C@H]([C@@H](C)CO)[C@@H]1CO 6030995 290738461 /nfs/dbraw/zinc/73/84/61/290738461.db2.gz MZPIHWYCJUPOFB-UTINFBMNSA-N 0 0 172.268 1.269 10 0 biogenic,in-vitro ADAERN C[C@@H]1COC(=O)[C@H]2[C@@H](C)CC[C@@H]12 38312312 290738470 /nfs/dbraw/zinc/73/84/70/290738470.db2.gz LSRNBGXEEKNZHN-KZVJFYERSA-N 0 0 168.236 1.842 10 0 biogenic,in-vitro ADAERN C[C@@H]1CC(=O)c2c(O)cccc2[C@H]1O 13459886 290738476 /nfs/dbraw/zinc/73/84/76/290738476.db2.gz YUPNHTWYVBHLMG-KBUNVGBDSA-N 0 0 192.214 1.648 10 0 biogenic,in-vitro ADAERN C[C@@]1(CO)[C@H]2CC[C@@H](CO)[C@@H]1C2 14657342 290738796 /nfs/dbraw/zinc/73/87/96/290738796.db2.gz GVQNYSGSGPTXSI-AATLWQCWSA-N 0 0 170.252 1.023 10 0 biogenic,in-vitro ADAERN C[C@H]1C[C@@H](O)c2c(O)cccc2O1 13462817 290739173 /nfs/dbraw/zinc/73/91/73/290739173.db2.gz BXFIHDMPMGLIDF-POYBYMJQSA-N 0 0 180.203 1.597 10 0 biogenic,in-vitro ADAERN OCSCc1ccccc1 13376404 290739719 /nfs/dbraw/zinc/73/97/19/290739719.db2.gz RRGVORDGAOCWNZ-UHFFFAOYSA-N 0 0 154.234 1.870 10 0 biogenic,in-vitro ADAERN O=c1cc2oc(O)ccc-2cc1O 3876063 290739721 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164.208 1.350 10 0 ADAERN CC1(C)CC(Cn2cccnc2=O)C1 530160038 325664501 /nfs/dbraw/zinc/66/45/01/325664501.db2.gz OPTCJYNKJVPKJT-UHFFFAOYSA-N 0 0 192.262 1.680 10 0 ADAERN CC1(C)CC(Cn2cc(CO)nn2)C1 530170594 325665146 /nfs/dbraw/zinc/66/51/46/325665146.db2.gz UJPMFMHCIJZSAC-UHFFFAOYSA-N 0 0 195.266 1.207 10 0 ADAERN CCC[NH+]1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C 530180277 325665199 /nfs/dbraw/zinc/66/51/99/325665199.db2.gz WITOIHWCUCAUPD-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN Cn1ccc(=O)n1CC1CC(C)(C)C1 530167948 325665216 /nfs/dbraw/zinc/66/52/16/325665216.db2.gz BSQZNEUBPMRLSA-UHFFFAOYSA-N 0 0 194.278 1.623 10 0 ADAERN CCCCN(C)C(=O)c1nncs1 530182991 325665606 /nfs/dbraw/zinc/66/56/06/325665606.db2.gz HFRPJKFZHLCKOT-UHFFFAOYSA-N 0 0 199.279 1.410 10 0 ADAERN CN(OCC(F)(F)F)C(=O)C1CC1 530261984 325667053 /nfs/dbraw/zinc/66/70/53/325667053.db2.gz UDSPOYDOEYGKAQ-UHFFFAOYSA-N 0 0 197.156 1.349 10 0 ADAERN Fc1ccc(F)c2nccnc12 536952860 325668892 /nfs/dbraw/zinc/66/88/92/325668892.db2.gz 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/nfs/dbraw/zinc/92/38/14/342923814.db2.gz CXEHYXKSTFBNAV-UHFFFAOYSA-N 0 0 180.232 1.813 10 0 ADAERN Cc1cc([C@H]([NH3+])C(=O)[O-])c(C)s1 28296 342924039 /nfs/dbraw/zinc/92/40/39/342924039.db2.gz BNKQHLFXHVXCPS-ZETCQYMHSA-N 0 0 185.248 1.449 10 0 ADAERN Cc1nc2scc(C)n2c1CO 15471 342924065 /nfs/dbraw/zinc/92/40/65/342924065.db2.gz YMUHOJCOIZSOIR-UHFFFAOYSA-N 0 0 182.248 1.505 10 0 ADAERN Cc1ccccc1-c1cn[nH]n1 27316 342924164 /nfs/dbraw/zinc/92/41/64/342924164.db2.gz UCFUJBVZSWTHEG-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CCn1ncc2c1CCCC2=O 18552 342924291 /nfs/dbraw/zinc/92/42/91/342924291.db2.gz YZOKZEMLMLOGTL-UHFFFAOYSA-N 0 0 164.208 1.422 10 0 ADAERN Cc1cc([C@@H]([NH3+])C(=O)[O-])c(C)s1 28297 342924293 /nfs/dbraw/zinc/92/42/93/342924293.db2.gz BNKQHLFXHVXCPS-SSDOTTSWSA-N 0 0 185.248 1.449 10 0 ADAERN CCNc1n[nH]nc1-c1ccccc1 40123 342924608 /nfs/dbraw/zinc/92/46/08/342924608.db2.gz DALJJVCEOQHVOR-UHFFFAOYSA-N 0 0 188.234 1.904 10 0 ADAERN CN(C)C(=S)Nc1ccccn1 39721 342924691 /nfs/dbraw/zinc/92/46/91/342924691.db2.gz HOMNEJQXCNLPQQ-UHFFFAOYSA-N 0 0 181.264 1.340 10 0 ADAERN O=C1CCC[C@H](Cn2cncn2)C1 60931 342925441 /nfs/dbraw/zinc/92/54/41/342925441.db2.gz ZREKDCXPAFUSHL-QMMMGPOBSA-N 0 0 179.223 1.037 10 0 ADAERN C[C@H]1CC(=O)NN=C1c1cccs1 78722 342925782 /nfs/dbraw/zinc/92/57/82/342925782.db2.gz BOCCVGZLBZVNLV-LURJTMIESA-N 0 0 194.259 1.608 10 0 ADAERN Cc1cc(C)c(NC(N)N=N)cc1C 73402 342926036 /nfs/dbraw/zinc/92/60/36/342926036.db2.gz SVKODCATUGQCLR-UHFFFAOYSA-N 0 0 192.266 1.422 10 0 ADAERN Cc1ccc(-c2nn[nH]n2)cc1Cl 89812 342926412 /nfs/dbraw/zinc/92/64/12/342926412.db2.gz DGSPJIDNXYCCEN-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN Cc1[nH]nc2oc(=O)c(Cl)c(C)c12 91574 342926476 /nfs/dbraw/zinc/92/64/76/342926476.db2.gz IRJABBGEYVDHCQ-UHFFFAOYSA-N 0 0 198.609 1.786 10 0 ADAERN Cc1nc(C)c(-c2ccnc(N)n2)o1 107531 342926882 /nfs/dbraw/zinc/92/68/82/342926882.db2.gz RTZCCYRINZDPPB-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CN(C)C(=S)NCc1cccnc1 98633 342926927 /nfs/dbraw/zinc/92/69/27/342926927.db2.gz QQERVKDBLVWZQW-UHFFFAOYSA-N 0 0 195.291 1.018 10 0 ADAERN CCc1c(C)[nH]c(C)c1C(=O)OC 113329 342926950 /nfs/dbraw/zinc/92/69/50/342926950.db2.gz YPZRQKYFYFPRRL-UHFFFAOYSA-N 0 0 181.235 1.981 10 0 ADAERN S=C1N=NC(c2ccccn2)S1 102513 342926995 /nfs/dbraw/zinc/92/69/95/342926995.db2.gz NURSZUJTABWSTA-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN CC1(C)CC([O-])=CC(=O)S1 126159 342927358 /nfs/dbraw/zinc/92/73/58/342927358.db2.gz PIABRPZPRWSHMO-UHFFFAOYSA-N 0 0 158.222 1.388 10 0 ADAERN Cc1ccc2c(c1)NNc1nncn1-2 133542 342927670 /nfs/dbraw/zinc/92/76/70/342927670.db2.gz VHNUFKOWTNSFLG-UHFFFAOYSA-N 0 0 187.206 1.328 10 0 ADAERN Cc1cc(-c2ccsc2)n[nH]c1=O 133380 342927707 /nfs/dbraw/zinc/92/77/07/342927707.db2.gz GMOUDDNYVBZXOG-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CC(C)SC1N=NC(=S)N1C 131836 342927804 /nfs/dbraw/zinc/92/78/04/342927804.db2.gz MFGGCHGERZJVHG-UHFFFAOYSA-N 0 0 189.309 1.604 10 0 ADAERN Cc1nccnc1-c1cc[nH]n1 143044 342928132 /nfs/dbraw/zinc/92/81/32/342928132.db2.gz BHACACUWJSHSAY-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Cc1cc(C)c(CO)cc1CO 162782 342930100 /nfs/dbraw/zinc/93/01/00/342930100.db2.gz KDSNMBNNCZRNPP-UHFFFAOYSA-N 0 0 166.220 1.288 10 0 ADAERN CC(C)(C)OC(=O)n1ccoc1=O 161363 342930209 /nfs/dbraw/zinc/93/02/09/342930209.db2.gz SMFQUOISBHTCOR-UHFFFAOYSA-N 0 0 185.179 1.225 10 0 ADAERN CN1CCC(c2cccs2)=N1 172669 342931143 /nfs/dbraw/zinc/93/11/43/342931143.db2.gz WQVTZEXDSIHOHN-UHFFFAOYSA-N 0 0 166.249 1.788 10 0 ADAERN C/C=C1/N=C(c2ccccc2)OC1=O 173045 342931172 /nfs/dbraw/zinc/93/11/72/342931172.db2.gz HEGNHTODZSHTKS-XNWCZRBMSA-N 0 0 187.198 1.894 10 0 ADAERN O=C1O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]1C3 173581 342931286 /nfs/dbraw/zinc/93/12/86/342931286.db2.gz GSYWUNMJAMNGKW-FKSUSPILSA-N 0 0 152.193 1.348 10 0 ADAERN CCC12CC3C[C@](O)(C1)C[C@@](O)(C3)C2 248743 342932000 /nfs/dbraw/zinc/93/20/00/342932000.db2.gz UBZYZZAIOTYCAB-CAODYFQJSA-N 0 0 196.290 1.843 10 0 ADAERN C[NH+](C)Cc1occc1C(=O)[O-] 333387 342934094 /nfs/dbraw/zinc/93/40/94/342934094.db2.gz SIBKYRDYGPXMDL-UHFFFAOYSA-N 0 0 169.180 1.039 10 0 ADAERN Cc1ccc(C)c2c1CCNC2=O 337064 342934247 /nfs/dbraw/zinc/93/42/47/342934247.db2.gz POTITUGNPIHUQO-UHFFFAOYSA-N 0 0 175.231 1.589 10 0 ADAERN Cc1cc(C)c2c(c1O)C(=O)OC2 338164 342934406 /nfs/dbraw/zinc/93/44/06/342934406.db2.gz FCSPXCQJNMMNMO-UHFFFAOYSA-N 0 0 178.187 1.679 10 0 biogenic ADAERN COc1cnn(C)c(=S)c1Cl 346541 342934784 /nfs/dbraw/zinc/93/47/84/342934784.db2.gz IIHBAWUPHKRCBV-UHFFFAOYSA-N 0 0 190.655 1.812 10 0 ADAERN CC1=C(c2ccccc2)CS1(=O)=O 381727 342935123 /nfs/dbraw/zinc/93/51/23/342935123.db2.gz PHPKCVYPPLEYBD-UHFFFAOYSA-N 0 0 194.255 1.846 10 0 ADAERN CCc1nc2ccccc(=O)c2o1 384763 342935551 /nfs/dbraw/zinc/93/55/51/342935551.db2.gz NCCLVTGEILKVQR-UHFFFAOYSA-N 0 0 175.187 1.750 10 0 ADAERN CC(C)Oc1ncnc2[nH]cnc12 391707 342936332 /nfs/dbraw/zinc/93/63/32/342936332.db2.gz NXBUZBZGNABKHN-UHFFFAOYSA-N 0 0 178.195 1.140 10 0 ADAERN COc1cccc2c1ccc[n+]2[O-] 392750 342936751 /nfs/dbraw/zinc/93/67/51/342936751.db2.gz QNEUCNALOFASLA-UHFFFAOYSA-N 0 0 175.187 1.482 10 0 ADAERN Cc1c(O)cc(O)cc1[C@@H](C)[C@@H](C)O 409729 342939251 /nfs/dbraw/zinc/93/92/51/342939251.db2.gz ZYUVGYBAPZYKSA-POYBYMJQSA-N 0 0 196.246 1.891 10 0 ADAERN Cc1c(O)cc(O)cc1[C@H](C)[C@H](C)O 409732 342939281 /nfs/dbraw/zinc/93/92/81/342939281.db2.gz ZYUVGYBAPZYKSA-SVRRBLITSA-N 0 0 196.246 1.891 10 0 ADAERN Cc1c(O)cc(O)cc1[C@H](C)[C@@H](C)O 409730 342939288 /nfs/dbraw/zinc/93/92/88/342939288.db2.gz ZYUVGYBAPZYKSA-HTRCEHHLSA-N 0 0 196.246 1.891 10 0 ADAERN Cc1c(O)cc(O)cc1[C@@H](C)[C@H](C)O 409731 342939308 /nfs/dbraw/zinc/93/93/08/342939308.db2.gz ZYUVGYBAPZYKSA-XPUUQOCRSA-N 0 0 196.246 1.891 10 0 ADAERN CC(=O)Nc1cccc2c1C(=O)OC2 480623 342939547 /nfs/dbraw/zinc/93/95/47/342939547.db2.gz ADSQEQJNXVYOLT-UHFFFAOYSA-N 0 0 191.186 1.315 10 0 ADAERN CC(=O)Nc1ccc2cn(C)nc2c1 417969 342939711 /nfs/dbraw/zinc/93/97/11/342939711.db2.gz IJXYGLYWHCSJRO-UHFFFAOYSA-N 0 0 189.218 1.532 10 0 ADAERN Cc1ccc2c(C)nc(N)nc2c1 523381 342940802 /nfs/dbraw/zinc/94/08/02/342940802.db2.gz ZYCYRAAMTBMGSG-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN CCCN(C(C)=O)c1ccc(N)cn1 988222 342942818 /nfs/dbraw/zinc/94/28/18/342942818.db2.gz IKBHZZSLSWCWBJ-UHFFFAOYSA-N 0 0 193.250 1.427 10 0 ADAERN Cc1cnc2ccccc2c1C(N)=O 1020123 342942823 /nfs/dbraw/zinc/94/28/23/342942823.db2.gz ZVBDZSLKBFEZFL-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 ADAERN c1ccc2oc(-n3cncn3)nc2c1 972902 342942872 /nfs/dbraw/zinc/94/28/72/342942872.db2.gz MWVVLUGDCGDNRB-UHFFFAOYSA-N 0 0 186.174 1.409 10 0 ADAERN CC1=NO[C@@]2(O)C[C@H]3[C@@H]([C@@H]12)C3(C)C 1044113 342943048 /nfs/dbraw/zinc/94/30/48/342943048.db2.gz GZCUMBXVOIWKDO-ODHVRURNSA-N 0 0 181.235 1.373 10 0 ADAERN Cc1cc(=O)[nH]nc1-c1cccs1 1038925 342943131 /nfs/dbraw/zinc/94/31/31/342943131.db2.gz YENWMUBFGFIZJV-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 1028260 342943173 /nfs/dbraw/zinc/94/31/73/342943173.db2.gz RCPRDNHLNDSTGX-XLPZGREQSA-N 0 0 184.308 1.269 10 0 ADAERN CCc1ccc(OC(N)=O)cc1 1083820 342943532 /nfs/dbraw/zinc/94/35/32/342943532.db2.gz WBBJNNIOVSTUQP-UHFFFAOYSA-N 0 0 165.192 1.707 10 0 ADAERN CSc1ncnc2c1CCC2 1286633 342943947 /nfs/dbraw/zinc/94/39/47/342943947.db2.gz UJHSIJPARSMHBS-UHFFFAOYSA-N 0 0 166.249 1.687 10 0 ADAERN CC(=O)Nc1cc(C)c(N)c(C)c1 1280950 342944047 /nfs/dbraw/zinc/94/40/47/342944047.db2.gz VVIQZXTUSFRPAJ-UHFFFAOYSA-N 0 0 178.235 1.844 10 0 ADAERN O=Cc1cccn1-c1ccon1 1527323 342946152 /nfs/dbraw/zinc/94/61/52/342946152.db2.gz YWGTXJYSWRYDHO-UHFFFAOYSA-N 0 0 162.148 1.278 10 0 in-vitro ADAERN CN(C#N)CCc1ccccc1 1563804 342947408 /nfs/dbraw/zinc/94/74/08/342947408.db2.gz RXLVEAXQAPBGFG-UHFFFAOYSA-N 0 0 160.220 1.642 10 0 ADAERN Nc1ncnc2c1CCc1ccccc1-2 1567895 342947935 /nfs/dbraw/zinc/94/79/35/342947935.db2.gz LDWGGPUPRZZUMO-UHFFFAOYSA-N 0 0 197.241 1.824 10 0 ADAERN CC(C)[C@@H]1CC[C@@]2(C)O[C@H]2C1=O 1571660 342948202 /nfs/dbraw/zinc/94/82/02/342948202.db2.gz IAFONZHDZMCORS-UJNFCWOMSA-N 0 0 168.236 1.779 10 0 ADAERN CCC(=O)c1cc[nH]c1 1574408 342948505 /nfs/dbraw/zinc/94/85/05/342948505.db2.gz RSPXQTWHPQFCDQ-UHFFFAOYSA-N 0 0 123.155 1.607 10 0 ADAERN CNc1ncnc2scnc12 1581321 342948796 /nfs/dbraw/zinc/94/87/96/342948796.db2.gz STFGZAITFFZDBU-UHFFFAOYSA-N 0 0 166.209 1.128 10 0 ADAERN Nc1cc(C(F)(F)F)cc(N)c1N 1581732 342948800 /nfs/dbraw/zinc/94/88/00/342948800.db2.gz KXZORAYXGDXVRZ-UHFFFAOYSA-N 0 0 191.156 1.452 10 0 in-vitro ADAERN CCC(C)(CC)NC(C)=O 1583163 342949222 /nfs/dbraw/zinc/94/92/22/342949222.db2.gz CIQCHXJSXGFQKZ-UHFFFAOYSA-N 0 0 143.230 1.701 10 0 ADAERN CC[C@H](C)CNC(C)=O 1583157 342949313 /nfs/dbraw/zinc/94/93/13/342949313.db2.gz UBERLXYRZNEDEB-LURJTMIESA-N 0 0 129.203 1.169 10 0 ADAERN CCCNc1ccnc(F)n1 1585905 342949389 /nfs/dbraw/zinc/94/93/89/342949389.db2.gz IDQUSDOVZJGBOH-UHFFFAOYSA-N 0 0 155.176 1.438 10 0 ADAERN CC(C)=C(C(N)=O)c1ccccc1 1593031 342949815 /nfs/dbraw/zinc/94/98/15/342949815.db2.gz VBLLQIIORJNPCN-UHFFFAOYSA-N 0 0 175.231 1.965 10 0 ADAERN C[C@H]1OC(c2ccccc2)=N[C@@H]1CO 1594642 342949853 /nfs/dbraw/zinc/94/98/53/342949853.db2.gz BDENHVIMPPMEIY-PSASIEDQSA-N 0 0 191.230 1.213 10 0 ADAERN C[C@@H]1OC(c2ccccc2)=N[C@H]1CO 1594643 342949922 /nfs/dbraw/zinc/94/99/22/342949922.db2.gz BDENHVIMPPMEIY-WPRPVWTQSA-N 0 0 191.230 1.213 10 0 ADAERN C[C@H]1OC(c2ccccc2)=N[C@H]1CO 1594644 342949999 /nfs/dbraw/zinc/94/99/99/342949999.db2.gz BDENHVIMPPMEIY-SCZZXKLOSA-N 0 0 191.230 1.213 10 0 ADAERN COCOc1cccc2c1[C@@H](O)CC2 1591500 342950130 /nfs/dbraw/zinc/95/01/30/342950130.db2.gz BPNXXGPEJQIVQU-VIFPVBQESA-N 0 0 194.230 1.649 10 0 ADAERN C[C@H]1CC[C@H](O)[C@@H](C)C1 1598490 342950744 /nfs/dbraw/zinc/95/07/44/342950744.db2.gz CKPQAKDCQGMTSO-FXQIFTODSA-N 0 0 128.215 1.803 10 0 ADAERN O=C1O[C@H]2CC=CC[C@@H]2O1 1602028 342951173 /nfs/dbraw/zinc/95/11/73/342951173.db2.gz NLJDUSFLAAMLOL-WDSKDSINSA-N 0 0 140.138 1.240 10 0 ADAERN O=C1O[C@@H]2CC=CC[C@H]2O1 1602025 342951175 /nfs/dbraw/zinc/95/11/75/342951175.db2.gz NLJDUSFLAAMLOL-PHDIDXHHSA-N 0 0 140.138 1.240 10 0 ADAERN CN(C)c1ccccc1NC=O 1605113 342951589 /nfs/dbraw/zinc/95/15/89/342951589.db2.gz XNQUXHAOFKVGLD-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN FC(F)(F)c1ncnc2[nH]cnc12 1604358 342951727 /nfs/dbraw/zinc/95/17/27/342951727.db2.gz RPGVDXOVVBWOIH-UHFFFAOYSA-N 0 0 188.112 1.372 10 0 ADAERN O[C@@H](CF)Cc1ccccc1 1614538 342952262 /nfs/dbraw/zinc/95/22/62/342952262.db2.gz KSEJRDLIWBKTAI-SECBINFHSA-N 0 0 154.184 1.560 10 0 ADAERN CCCCC[C@]1(C)OC[C@H](CO)O1 1641399 342953760 /nfs/dbraw/zinc/95/37/60/342953760.db2.gz HJELPCHEJDULNR-VHSXEESVSA-N 0 0 188.267 1.691 10 0 ADAERN CCCCC[C@]1(C)OC[C@@H](CO)O1 1641397 342953815 /nfs/dbraw/zinc/95/38/15/342953815.db2.gz HJELPCHEJDULNR-NXEZZACHSA-N 0 0 188.267 1.691 10 0 ADAERN Cc1cc(=O)oc2cccc(O)c12 1639569 342953853 /nfs/dbraw/zinc/95/38/53/342953853.db2.gz KZTGTVVRGQELJS-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN CCC(CC)CNC(N)=O 1641411 342953857 /nfs/dbraw/zinc/95/38/57/342953857.db2.gz BWDUQSHHRCRWLO-UHFFFAOYSA-N 0 0 144.218 1.091 10 0 ADAERN CCCCC[C@@]1(C)OC[C@H](CO)O1 1641398 342953898 /nfs/dbraw/zinc/95/38/98/342953898.db2.gz HJELPCHEJDULNR-UWVGGRQHSA-N 0 0 188.267 1.691 10 0 ADAERN CCOC(=O)/C=C(\C)OC 1644986 342954141 /nfs/dbraw/zinc/95/41/41/342954141.db2.gz LAPXQIPANPGXCP-AATRIKPKSA-N 0 0 144.170 1.100 10 0 ADAERN Cc1nc2cc(F)c(F)cc2[nH]c1=O 1650220 342954545 /nfs/dbraw/zinc/95/45/45/342954545.db2.gz FMOBBPRFTMLFEM-UHFFFAOYSA-N 0 0 196.156 1.510 10 0 ADAERN Cc1nc2ccccc2[n+]([O-])c1C 1670798 342956399 /nfs/dbraw/zinc/95/63/99/342956399.db2.gz VQJVSKCJGNFQQV-UHFFFAOYSA-N 0 0 174.203 1.485 10 0 ADAERN C[C@H]1CO[C@H](c2ccco2)O1 1674311 342956752 /nfs/dbraw/zinc/95/67/52/342956752.db2.gz YYYNPYRBPLTQJC-XPUUQOCRSA-N 0 0 154.165 1.714 10 0 ADAERN Nc1ccc(O)c2cccc(O)c12 1676320 342957188 /nfs/dbraw/zinc/95/71/88/342957188.db2.gz HNWCBMKWKKEEDV-UHFFFAOYSA-N 0 0 175.187 1.833 10 0 ADAERN CCCCCC[C@H](CO)OC 1679537 342957608 /nfs/dbraw/zinc/95/76/08/342957608.db2.gz HBZQZTFAFVPPLO-SECBINFHSA-N 0 0 160.257 1.964 10 0 ADAERN CCc1ccc(CC(C)(C)O)nc1 1691553 342959058 /nfs/dbraw/zinc/95/90/58/342959058.db2.gz QIHXTUZOKJLWLO-UHFFFAOYSA-N 0 0 179.263 1.957 10 0 ADAERN Cc1cccc2n[nH]c(=S)n12 1699023 342960041 /nfs/dbraw/zinc/96/00/41/342960041.db2.gz FEJYRDUSTRIFGY-UHFFFAOYSA-N 0 0 165.221 1.700 10 0 ADAERN CC1CCC(C(N)=O)CC1 1713298 342961403 /nfs/dbraw/zinc/96/14/03/342961403.db2.gz BMEMSZNEGPFYMC-UHFFFAOYSA-N 0 0 141.214 1.298 10 0 ADAERN NNc1c(Cl)cnnc1Cl 1723538 342962311 /nfs/dbraw/zinc/96/23/11/342962311.db2.gz ZVBTYLFRSOWUEU-UHFFFAOYSA-N 0 0 179.010 1.069 10 0 ADAERN O=Cc1ccc(C=O)c(Cl)c1 1728419 342962774 /nfs/dbraw/zinc/96/27/74/342962774.db2.gz GWIWIPGOKVSQKR-UHFFFAOYSA-N 0 0 168.579 1.965 10 0 ADAERN OC12CCCCC1(O)CCCC2 1727330 342962856 /nfs/dbraw/zinc/96/28/56/342962856.db2.gz WHVGOCCZWVVJTC-UHFFFAOYSA-N 0 0 170.252 1.597 10 0 ADAERN Cc1ccc(OCCO)cc1C 1732294 342963030 /nfs/dbraw/zinc/96/30/30/342963030.db2.gz CUNKIUSAFDPIAA-UHFFFAOYSA-N 0 0 166.220 1.675 10 0 ADAERN CC(CO)(CO)C1CCCCC1 1732965 342963156 /nfs/dbraw/zinc/96/31/56/342963156.db2.gz XZUSMSQZIRXYGI-UHFFFAOYSA-N 0 0 172.268 1.558 10 0 ADAERN Cc1nc(N)cc(-c2ccccn2)n1 1736157 342963420 /nfs/dbraw/zinc/96/34/20/342963420.db2.gz QPDUILOWXPSNMT-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCc1nc(C)c(C)c(N)n1 1736156 342963524 /nfs/dbraw/zinc/96/35/24/342963524.db2.gz TVVBLCCMAVXQJK-UHFFFAOYSA-N 0 0 151.213 1.238 10 0 ADAERN CCCCOCCCO 1755956 342963775 /nfs/dbraw/zinc/96/37/75/342963775.db2.gz NTKBNCABAMQDIG-UHFFFAOYSA-N 0 0 132.203 1.186 10 0 ADAERN CCC(=O)N(C)c1cccc(O)c1 1756448 342963780 /nfs/dbraw/zinc/96/37/80/342963780.db2.gz YBEONLNHHSGOFZ-UHFFFAOYSA-N 0 0 179.219 1.765 10 0 ADAERN C[C@H]([C@H]([NH3+])C(=O)[O-])C(C)(C)C 1759515 342964169 /nfs/dbraw/zinc/96/41/69/342964169.db2.gz VSVANDHBXJEGCX-RITPCOANSA-N 0 0 159.229 1.081 10 0 ADAERN CC1=CSC2=NC(=O)CCN12 1759906 342964177 /nfs/dbraw/zinc/96/41/77/342964177.db2.gz ACDCOQBAVJXDON-UHFFFAOYSA-N 0 0 168.221 1.183 10 0 ADAERN C[C@H]([C@@H]([NH3+])C(=O)[O-])C(C)(C)C 1759517 342964180 /nfs/dbraw/zinc/96/41/80/342964180.db2.gz VSVANDHBXJEGCX-PHDIDXHHSA-N 0 0 159.229 1.081 10 0 ADAERN CCCC/C=C/C(=O)OC 1765597 342964490 /nfs/dbraw/zinc/96/44/90/342964490.db2.gz IQQDLHGWGKEQDS-VOTSOKGWSA-N 0 0 142.198 1.906 10 0 endogenous,in-man ADAERN Cc1ccc(C2OCC(O)CO2)cc1 1855082 342965051 /nfs/dbraw/zinc/96/50/51/342965051.db2.gz IIDQVIGMKXQUDM-UHFFFAOYSA-N 0 0 194.230 1.401 10 0 in-man ADAERN Nc1ccc(NC=O)c(Cl)c1 1871827 342965619 /nfs/dbraw/zinc/96/56/19/342965619.db2.gz QUBJHOJFFLAGPW-UHFFFAOYSA-N 0 0 170.599 1.491 10 0 ADAERN Cc1cc2cc(C)[nH]c(=O)n2c1 1924085 342965678 /nfs/dbraw/zinc/96/56/78/342965678.db2.gz VIIAWJAGTKHIOJ-UHFFFAOYSA-N 0 0 162.192 1.657 10 0 ADAERN CC1(C)CC1 1995253 342965938 /nfs/dbraw/zinc/96/59/38/342965938.db2.gz PBIJFSCPEFQXBB-UHFFFAOYSA-N 0 0 70.135 1.806 10 0 ADAERN C[C@H](O)/C=C/c1ccc2c(c1)OCO2 2002205 342965991 /nfs/dbraw/zinc/96/59/91/342965991.db2.gz BFKJEEFQRZRWBY-SGJFDWMWSA-N 0 0 192.214 1.809 10 0 ADAERN CC[C@@H](O)c1ccc2[nH]c(=O)oc2c1 2002993 342966130 /nfs/dbraw/zinc/96/61/30/342966130.db2.gz PBCZFSGREIJADI-MRVPVSSYSA-N 0 0 193.202 1.565 10 0 ADAERN Cc1cccc(COCCO)c1 2009865 342966171 /nfs/dbraw/zinc/96/61/71/342966171.db2.gz KFWMFWPJZPGWEC-UHFFFAOYSA-N 0 0 166.220 1.504 10 0 ADAERN CCCCNc1nc(C)nc(NC)n1 2012620 342966439 /nfs/dbraw/zinc/96/64/39/342966439.db2.gz UGSGABKDPSLJDC-UHFFFAOYSA-N 0 0 195.270 1.434 10 0 ADAERN Cc1cccc(OC(N)=O)c1 2010293 342966513 /nfs/dbraw/zinc/96/65/13/342966513.db2.gz VTONZKDPQTYHLV-UHFFFAOYSA-N 0 0 151.165 1.453 10 0 ADAERN C1=CCCCC=1 2011431 342966524 /nfs/dbraw/zinc/96/65/24/342966524.db2.gz NMGSDTSOSIPXTN-UHFFFAOYSA-N 0 0 80.130 1.882 10 0 in-vitro ADAERN C[C@]12CCC[C@](C)(CO1)O2 2011998 342966536 /nfs/dbraw/zinc/96/65/36/342966536.db2.gz AZWKCIZRVUVZPX-SFYZADRCSA-N 0 0 142.198 1.692 10 0 ADAERN CCCCn1c(C)c[nH]c1=O 2019361 342966832 /nfs/dbraw/zinc/96/68/32/342966832.db2.gz JHGZFEIBWMPSIE-UHFFFAOYSA-N 0 0 154.213 1.285 10 0 ADAERN CCc1cnc(C)c(CC)n1 2017409 342966819 /nfs/dbraw/zinc/96/68/19/342966819.db2.gz MRWLZECVHMHMGI-UHFFFAOYSA-N 0 0 150.225 1.910 10 0 endogenous,in-man ADAERN CNC(=O)Oc1ccc(N)c(C)c1 2023783 342967062 /nfs/dbraw/zinc/96/70/62/342967062.db2.gz OCYWBKLVMHFSSX-UHFFFAOYSA-N 0 0 180.207 1.295 10 0 ADAERN C[C@H](Cc1ccccc1)NO 2020043 342967196 /nfs/dbraw/zinc/96/71/96/342967196.db2.gz LPZRPPBVFGJUOJ-MRVPVSSYSA-N 0 0 151.209 1.596 10 0 ADAERN CCC(O)(Cl)Cl 2032046 342967682 /nfs/dbraw/zinc/96/76/82/342967682.db2.gz XEPXTKKIWBPAEG-UHFFFAOYSA-N 0 0 128.986 1.520 10 0 ADAERN CCCCn1cncn1 2034212 342967804 /nfs/dbraw/zinc/96/78/04/342967804.db2.gz NSGZEKTXHYHICN-UHFFFAOYSA-N 0 0 125.175 1.078 10 0 in-vitro ADAERN CCC/C(C)=C/CO 2034308 342967821 /nfs/dbraw/zinc/96/78/21/342967821.db2.gz CKWCTBJSFBLMOH-FNORWQNLSA-N 0 0 114.188 1.725 10 0 ADAERN CC[C@@]1(c2ccccc2)CNC1=O 2035718 342968015 /nfs/dbraw/zinc/96/80/15/342968015.db2.gz QKXTXXKOSUMTNX-NSHDSACASA-N 0 0 175.231 1.464 10 0 ADAERN CC1CCC1 2034510 342968024 /nfs/dbraw/zinc/96/80/24/342968024.db2.gz BDJAEZRIGNCQBZ-UHFFFAOYSA-N 0 0 70.135 1.806 10 0 ADAERN C[C@H]1CC(=O)C1(C)C 2039553 342968596 /nfs/dbraw/zinc/96/85/96/342968596.db2.gz XCNUTNIUANPMKW-YFKPBYRVSA-N 0 0 112.172 1.622 10 0 ADAERN CC1CC=CC1 2039264 342968597 /nfs/dbraw/zinc/96/85/97/342968597.db2.gz FWMRUAODTCVEQK-UHFFFAOYSA-N 0 0 82.146 1.973 10 0 ADAERN C1=CC2=C[C@@H]3OCOC3=CC2=N1 2040903 342968599 /nfs/dbraw/zinc/96/85/99/342968599.db2.gz BGUGGEACYAZDOQ-QMMMGPOBSA-N 0 0 161.160 1.152 10 0 ADAERN O=C(CF)Nc1ccc(F)cc1 2040648 342968609 /nfs/dbraw/zinc/96/86/09/342968609.db2.gz MKJKVKAZGNVUKW-UHFFFAOYSA-N 0 0 171.146 1.734 10 0 ADAERN C[C@@]1(c2ccccc2)CNC1=O 2039391 342968620 /nfs/dbraw/zinc/96/86/20/342968620.db2.gz FWRSXKVUCBPVLE-JTQLQIEISA-N 0 0 161.204 1.074 10 0 ADAERN CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 2038982 342968634 /nfs/dbraw/zinc/96/86/34/342968634.db2.gz BAPLXEYNVOWNPO-DTORHVGOSA-N 0 0 193.246 1.348 10 0 ADAERN CC12COP(=O)(OC1)OC2 2039552 342968691 /nfs/dbraw/zinc/96/86/91/342968691.db2.gz SEOXVQTUPVKLTH-UHFFFAOYSA-N 0 0 164.097 1.178 10 0 ADAERN CC[C@@]1(C2CCCC2)NC(=O)NC1=O 2042049 342968900 /nfs/dbraw/zinc/96/89/00/342968900.db2.gz IZEKSBWGLBFASZ-JTQLQIEISA-N 0 0 196.250 1.165 10 0 ADAERN O[C@H](CF)Cc1ccccc1 2045792 342969390 /nfs/dbraw/zinc/96/93/90/342969390.db2.gz KSEJRDLIWBKTAI-VIFPVBQESA-N 0 0 154.184 1.560 10 0 ADAERN CCCCCC[C@@H](CO)OC 2044933 342969455 /nfs/dbraw/zinc/96/94/55/342969455.db2.gz HBZQZTFAFVPPLO-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN COc1cc(-c2ccco2)nc(N)n1 2149136 342970051 /nfs/dbraw/zinc/97/00/51/342970051.db2.gz LYYBVOOQDHFYQZ-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN CC[C@H](O)C1CCCC1 2168879 342970434 /nfs/dbraw/zinc/97/04/34/342970434.db2.gz JXLATLGQNUUYCG-QMMMGPOBSA-N 0 0 128.215 1.948 10 0 ADAERN CC1=C[C@H](O)[C@@H]2C[C@H]1C2(C)C 2242636 342970780 /nfs/dbraw/zinc/97/07/80/342970780.db2.gz WONIGEXYPVIKFS-VGMNWLOBSA-N 0 0 152.237 1.970 10 0 biogenic,in-vitro ADAERN C[C@H]1C[C@@H](C)CC1=O 2242644 342970865 /nfs/dbraw/zinc/97/08/65/342970865.db2.gz UKJQTRVEZWBIRE-RITPCOANSA-N 0 0 112.172 1.622 10 0 in-vitro ADAERN C[C@H](O)[C@H]1COc2ccccc2O1 2294006 342971320 /nfs/dbraw/zinc/97/13/20/342971320.db2.gz BWBUOEGIFALLRE-OIBJUYFYSA-N 0 0 180.203 1.207 10 0 ADAERN CCC1(CC)CC(=O)C=NC1=O 2471321 342972264 /nfs/dbraw/zinc/97/22/64/342972264.db2.gz RFVAZMPRSWDBLH-UHFFFAOYSA-N 0 0 167.208 1.363 10 0 ADAERN Cc1cc(=O)oc2c(O)cccc12 2481965 342972686 /nfs/dbraw/zinc/97/26/86/342972686.db2.gz YTUZKZFGUFCWHJ-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 biogenic ADAERN Cc1cnc2c(n1)CC[C@@H]2C 2510282 342973210 /nfs/dbraw/zinc/97/32/10/342973210.db2.gz CTFGVWCFSGCLHZ-LURJTMIESA-N 0 0 148.209 1.835 10 0 endogenous,in-man ADAERN COc1cc(F)c(OC)c(F)c1 2512221 342973320 /nfs/dbraw/zinc/97/33/20/342973320.db2.gz ZXDQTQYRMDJIDZ-UHFFFAOYSA-N 0 0 174.146 1.982 10 0 ADAERN Cc1cc([C@@H]([NH3+])CC(=O)[O-])ccc1F 2511679 342973365 /nfs/dbraw/zinc/97/33/65/342973365.db2.gz WDFMIERNWSXRKU-VIFPVBQESA-N 0 0 197.209 1.609 10 0 ADAERN Cc1cc(C)nc(F)c1 2515931 342973746 /nfs/dbraw/zinc/97/37/46/342973746.db2.gz HHKCFAMUAFEXMM-UHFFFAOYSA-N 0 0 125.146 1.838 10 0 ADAERN CC(C)(C)[N@@H+]1CCC[C@@H]1C(=O)[O-] 2516920 342973768 /nfs/dbraw/zinc/97/37/68/342973768.db2.gz SFMPOAWDFHFSEN-SSDOTTSWSA-N 0 0 171.240 1.334 10 0 ADAERN Cc1ccccc1-n1cnc(=O)[nH]1 2523421 342974140 /nfs/dbraw/zinc/97/41/40/342974140.db2.gz ZSBUIWXHUUMSTL-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN CCCCOC(=O)C[C@@H](C)O 2525111 342974289 /nfs/dbraw/zinc/97/42/89/342974289.db2.gz LHDWRKCOQQHAMP-SSDOTTSWSA-N 0 0 160.213 1.101 10 0 ADAERN Cc1ccc(-n2cnc(=O)[nH]2)c(C)c1 2523426 342974365 /nfs/dbraw/zinc/97/43/65/342974365.db2.gz YSEAMQATWFHUBZ-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN C[C@H]1CCC(=O)[C@@H]1C 2528240 342974572 /nfs/dbraw/zinc/97/45/72/342974572.db2.gz NHHSVMBOTBXSFH-NTSWFWBYSA-N 0 0 112.172 1.622 10 0 ADAERN CC=C=CC 2528315 342974712 /nfs/dbraw/zinc/97/47/12/342974712.db2.gz PODAMDNJNMAKAZ-UHFFFAOYSA-N 0 0 68.119 1.738 10 0 ADAERN CN1C(=O)NC(=O)C12CCCCCC2 2535468 342974941 /nfs/dbraw/zinc/97/49/41/342974941.db2.gz CCXZQGZHCHPNBP-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN COc1cc(F)cc(F)c1OC 2545247 342975820 /nfs/dbraw/zinc/97/58/20/342975820.db2.gz APRAEXAMAZYZHD-UHFFFAOYSA-N 0 0 174.146 1.982 10 0 ADAERN Cc1ccc(/C=C/S(N)(=O)=O)cc1 2540677 342975911 /nfs/dbraw/zinc/97/59/11/342975911.db2.gz BATSYPGXFHOMJB-VOTSOKGWSA-N 0 0 197.259 1.254 10 0 ADAERN CCC(=O)OC[C@@H](O)c1ccccc1 2559088 342976388 /nfs/dbraw/zinc/97/63/88/342976388.db2.gz FFYYFERLDCVSLB-SNVBAGLBSA-N 0 0 194.230 1.673 10 0 ADAERN CC1=N[C@@H](C(C)(C)C)CO1 2557993 342976703 /nfs/dbraw/zinc/97/67/03/342976703.db2.gz HXVCLXDGKGJBRY-SSDOTTSWSA-N 0 0 141.214 1.850 10 0 ADAERN CCC(CC)(OC)OC 2560251 342976855 /nfs/dbraw/zinc/97/68/55/342976855.db2.gz FJQRXCXLFNBLDO-UHFFFAOYSA-N 0 0 132.203 1.796 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@@H]1O 2564192 342977147 /nfs/dbraw/zinc/97/71/47/342977147.db2.gz UIEZBRDQSWACQJ-VQVTYTSYSA-N 0 0 114.188 1.413 10 0 ADAERN CCCC(=O)Oc1c(C)occc1=O 2567758 342977584 /nfs/dbraw/zinc/97/75/84/342977584.db2.gz IBRABNUUJKNXOB-UHFFFAOYSA-N 0 0 196.202 1.654 10 0 ADAERN CCCCCOC[C@H](C)O 2569697 342977729 /nfs/dbraw/zinc/97/77/29/342977729.db2.gz MQVBKQCAXKLACB-QMMMGPOBSA-N 0 0 146.230 1.574 10 0 ADAERN C[C@@H](CC(F)(F)F)C(N)=O 2576825 342978467 /nfs/dbraw/zinc/97/84/67/342978467.db2.gz CSVKEFBFKJBWND-VKHMYHEASA-N 0 0 155.119 1.060 10 0 ADAERN COc1cc(OC)c(C(C)=O)cc1O 2581146 342978848 /nfs/dbraw/zinc/97/88/48/342978848.db2.gz XVZJZPXDEIPICB-UHFFFAOYSA-N 0 0 196.202 1.612 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]([NH3+])c1cccs1 2586095 342978961 /nfs/dbraw/zinc/97/89/61/342978961.db2.gz JAGKBUGHTNBALR-CAHLUQPWSA-N 0 0 185.248 1.469 10 0 ADAERN Cc1nc(C(=S)S)c[nH]1 2585475 342979036 /nfs/dbraw/zinc/97/90/36/342979036.db2.gz IZYGCWIXHKMALW-UHFFFAOYSA-N 0 0 158.251 1.323 10 0 ADAERN Cc1cccc(C)c1[C@H]([NH3+])CC(=O)[O-] 2586187 342979059 /nfs/dbraw/zinc/97/90/59/342979059.db2.gz HMNDOBLCGKUCFD-SECBINFHSA-N 0 0 193.246 1.778 10 0 ADAERN Cc1cc(NN)c2ccc(F)cc2n1 2583907 342979143 /nfs/dbraw/zinc/97/91/43/342979143.db2.gz PXKJEKOBBHBMLP-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN C[C@]([NH3+])(CC1CCCCC1)C(=O)[O-] 2585947 342979284 /nfs/dbraw/zinc/97/92/84/342979284.db2.gz RAUJVFYNXLFAKY-JTQLQIEISA-N 0 0 185.267 1.759 10 0 ADAERN Cc1ccc(C)n1-c1nncs1 2651778 342979297 /nfs/dbraw/zinc/97/92/97/342979297.db2.gz OVOJVYHWCNQZAI-UHFFFAOYSA-N 0 0 179.248 1.946 10 0 ADAERN Cc1ccc([C@H]2NC(=O)CS2)cc1 3098225 342980551 /nfs/dbraw/zinc/98/05/51/342980551.db2.gz ILGIJVWXWZYICA-JTQLQIEISA-N 0 0 193.271 1.857 10 0 ADAERN Cc1ccc([C@@H]2NC(=O)CS2)cc1 3098226 342980684 /nfs/dbraw/zinc/98/06/84/342980684.db2.gz ILGIJVWXWZYICA-SNVBAGLBSA-N 0 0 193.271 1.857 10 0 ADAERN CC1(C)[C@H]2C[C@H](O)[C@@](C)(O)C[C@H]21 3123972 342981004 /nfs/dbraw/zinc/98/10/04/342981004.db2.gz AHVKNBRJVKCGKJ-ODHVRURNSA-N 0 0 170.252 1.164 10 0 ADAERN Cc1ccc2c(c1)C(=O)C(=O)S2 3129183 342981191 /nfs/dbraw/zinc/98/11/91/342981191.db2.gz BJLJAGOXHBIAQR-UHFFFAOYSA-N 0 0 178.212 1.810 10 0 ADAERN CN(C)C(=O)n1cnc2ccccc21 3163294 342981356 /nfs/dbraw/zinc/98/13/56/342981356.db2.gz JMGJGTZZTCPQTR-UHFFFAOYSA-N 0 0 189.218 1.566 10 0 ADAERN CC1(C)Cc2snc(C(N)=O)c2C1 3203899 342981879 /nfs/dbraw/zinc/98/18/79/342981879.db2.gz WWCGOIGDLQQDAC-UHFFFAOYSA-N 0 0 196.275 1.367 10 0 ADAERN COc1ccc(O)c2c1OCO2 3201254 342981979 /nfs/dbraw/zinc/98/19/79/342981979.db2.gz LVUYUDXIBHCNTC-UHFFFAOYSA-N 0 0 168.148 1.130 10 0 ADAERN C[C@H]1C[C@H](C)CC2(C1)OC(N)=NC2=O 3617429 342982797 /nfs/dbraw/zinc/98/27/97/342982797.db2.gz OCLPDFZMHGEFPC-BQBZGAKWSA-N 0 0 196.250 1.053 10 0 ADAERN CC(C)OC(=O)c1ccc(N)cc1O 3638219 342983129 /nfs/dbraw/zinc/98/31/29/342983129.db2.gz YBUHABZMSNVUKQ-UHFFFAOYSA-N 0 0 195.218 1.540 10 0 ADAERN CCc1ccc([C@@](C)([NH3+])C(=O)[O-])cc1 3677062 342983144 /nfs/dbraw/zinc/98/31/44/342983144.db2.gz SDMDGDZPWMOOEH-LLVKDONJSA-N 0 0 193.246 1.508 10 0 ADAERN CCc1ccc([C@](C)([NH3+])C(=O)[O-])cc1 3677061 342983188 /nfs/dbraw/zinc/98/31/88/342983188.db2.gz SDMDGDZPWMOOEH-NSHDSACASA-N 0 0 193.246 1.508 10 0 ADAERN Cc1ccc([C@@](C)([NH3+])C(=O)[O-])c(C)c1 3677080 342983395 /nfs/dbraw/zinc/98/33/95/342983395.db2.gz HPPJNTFVYMJGCX-LLVKDONJSA-N 0 0 193.246 1.562 10 0 ADAERN Cc1ccc([C@](C)([NH3+])C(=O)[O-])c(C)c1 3677079 342983440 /nfs/dbraw/zinc/98/34/40/342983440.db2.gz HPPJNTFVYMJGCX-NSHDSACASA-N 0 0 193.246 1.562 10 0 ADAERN CC(C)c1nn(C)c2c1CCN2 3707648 342983635 /nfs/dbraw/zinc/98/36/35/342983635.db2.gz XIUKTVLOGMELND-UHFFFAOYSA-N 0 0 165.240 1.512 10 0 ADAERN Cc1cc(C)cc(-c2nc(N)n[nH]2)c1 3723229 342984039 /nfs/dbraw/zinc/98/40/39/342984039.db2.gz PSOZHQNCGLZUDF-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CCC(CC)c1nc(N)n[nH]1 3723181 342984202 /nfs/dbraw/zinc/98/42/02/342984202.db2.gz KGEBCMXWAXAJQH-UHFFFAOYSA-N 0 0 154.217 1.291 10 0 ADAERN Cc1ccc(C)c2c(=O)oc(=O)[nH]c12 3866542 342985296 /nfs/dbraw/zinc/98/52/96/342985296.db2.gz FJCCZLMMWNWDDU-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN Cc1c(Cl)cncc1C(N)=O 3881116 342985862 /nfs/dbraw/zinc/98/58/62/342985862.db2.gz ZHMNRIYYPPJAHA-UHFFFAOYSA-N 0 0 170.599 1.142 10 0 ADAERN CC1CCN(c2nnc(N)s2)CC1 3913674 342986020 /nfs/dbraw/zinc/98/60/20/342986020.db2.gz PFDMUJUXOAJIRU-UHFFFAOYSA-N 0 0 198.295 1.357 10 0 ADAERN CC(=N)c1c(O)cc(C)oc1=O 3944814 342986053 /nfs/dbraw/zinc/98/60/53/342986053.db2.gz NGBJXTBTFVALDW-UHFFFAOYSA-N 0 0 167.164 1.042 10 0 ADAERN C[C@H]1CCC[C@@H](NC(N)=O)[C@@H]1C 3887903 342986160 /nfs/dbraw/zinc/98/61/60/342986160.db2.gz WVDAOVXMPOTUJD-XLPZGREQSA-N 0 0 170.256 1.479 10 0 ADAERN C[C@H]1CCC[C@H](NC(N)=O)[C@@H]1C 3887901 342986162 /nfs/dbraw/zinc/98/61/62/342986162.db2.gz WVDAOVXMPOTUJD-RNJXMRFFSA-N 0 0 170.256 1.479 10 0 ADAERN Cc1[nH]c(=O)c(C)c(O)c1C 3944984 342986192 /nfs/dbraw/zinc/98/61/92/342986192.db2.gz DGFZETPZVVBGDX-UHFFFAOYSA-N 0 0 153.181 1.006 10 0 ADAERN O=C1CC(=O)OC2(CCCCC2)C1 3957010 342986449 /nfs/dbraw/zinc/98/64/49/342986449.db2.gz VAWIRJJPHNUVKD-UHFFFAOYSA-N 0 0 182.219 1.595 10 0 ADAERN Cc1c(O)cc2ccccn2c1=O 3957941 342986543 /nfs/dbraw/zinc/98/65/43/342986543.db2.gz WEUKZGJVRMOHOK-UHFFFAOYSA-N 0 0 175.187 1.314 10 0 ADAERN Cc1ccc(-n2nnnc2C)cc1 4013640 342986708 /nfs/dbraw/zinc/98/67/08/342986708.db2.gz YYJYXEFCSBGDIT-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN CC1(C)CCCC2=C1[C@@H](O)OC2=O 4114350 342987692 /nfs/dbraw/zinc/98/76/92/342987692.db2.gz BJGXPNPFLOAZGF-VIFPVBQESA-N 0 0 182.219 1.368 10 0 ADAERN C[C@@H]1CC[C@H]2C(=O)CCC[C@@H](O)[C@H]12 4114361 342987564 /nfs/dbraw/zinc/98/75/64/342987564.db2.gz DPNXGUFOBXNIDH-JZSSXWJLSA-N 0 0 182.263 1.763 10 0 ADAERN CC[C@H](O)c1ccc2c(c1)OCCO2 4141594 342987586 /nfs/dbraw/zinc/98/75/86/342987586.db2.gz SHBROFWMFUCONK-VIFPVBQESA-N 0 0 194.230 1.901 10 0 ADAERN CC1(C)CCCC2=C1[C@H](O)OC2=O 4114349 342987759 /nfs/dbraw/zinc/98/77/59/342987759.db2.gz BJGXPNPFLOAZGF-SECBINFHSA-N 0 0 182.219 1.368 10 0 ADAERN CC[C@@H](O)c1ccc2c(c1)OCCO2 4141595 342987769 /nfs/dbraw/zinc/98/77/69/342987769.db2.gz SHBROFWMFUCONK-SECBINFHSA-N 0 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5285930 343000702 /nfs/dbraw/zinc/00/07/02/343000702.db2.gz LKDJNYTWJBBDCW-JTQLQIEISA-N 0 0 188.230 1.800 10 0 ADAERN Cc1ccc([C@@H](O)c2ncc[nH]2)cc1 5285937 343000713 /nfs/dbraw/zinc/00/07/13/343000713.db2.gz LKDJNYTWJBBDCW-SNVBAGLBSA-N 0 0 188.230 1.800 10 0 ADAERN Cc1nc2c3c(ccc2[nH]1)COC3=O 5285763 343000766 /nfs/dbraw/zinc/00/07/66/343000766.db2.gz SPTJSGLHHYOZRB-UHFFFAOYSA-N 0 0 188.186 1.542 10 0 ADAERN Cc1nc2cccc(N)c2nc1C 5330524 343001011 /nfs/dbraw/zinc/00/10/11/343001011.db2.gz HPHATBFPSZWBQQ-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN CN1CCC[C@@H](c2cccnc2)O1 5318505 343001183 /nfs/dbraw/zinc/00/11/83/343001183.db2.gz RSFSUBQOZSKHFU-JTQLQIEISA-N 0 0 178.235 1.780 10 0 in-vitro ADAERN CC[C@H](C)n1cncn1 5337391 343001190 /nfs/dbraw/zinc/00/11/90/343001190.db2.gz HOZBBTBEEKCTTO-LURJTMIESA-N 0 0 125.175 1.249 10 0 ADAERN CCCCNc1ncccn1 5309295 343001302 /nfs/dbraw/zinc/00/13/02/343001302.db2.gz HSSUQMDTTMMOGQ-UHFFFAOYSA-N 0 0 151.213 1.689 10 0 ADAERN CC[C@@H](C)n1cncn1 5337024 343001378 /nfs/dbraw/zinc/00/13/78/343001378.db2.gz HOZBBTBEEKCTTO-ZCFIWIBFSA-N 0 0 125.175 1.249 10 0 ADAERN Cc1cc(O)ccc1[S@](C)=O 5362230 343001424 /nfs/dbraw/zinc/00/14/24/343001424.db2.gz YFQBELWMXKXATM-LLVKDONJSA-N 0 0 170.233 1.438 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1N=O 5735685 343007152 /nfs/dbraw/zinc/00/71/52/343007152.db2.gz MDOIIQGEWWYGKD-KNVOCYPGSA-N 0 0 142.202 1.931 10 0 ADAERN Cc1cc(O)ccc1[S@@](C)=O 5362233 343001550 /nfs/dbraw/zinc/00/15/50/343001550.db2.gz YFQBELWMXKXATM-NSHDSACASA-N 0 0 170.233 1.438 10 0 ADAERN Cc1coc(C)c1 5362481 343001720 /nfs/dbraw/zinc/00/17/20/343001720.db2.gz AABTWRKUKUPMJG-UHFFFAOYSA-N 0 0 96.129 1.896 10 0 endogenous,in-man ADAERN CCOC[C@@H](O)COC(C)(C)C 5859221 343009087 /nfs/dbraw/zinc/00/90/87/343009087.db2.gz MRRMNHYRTIBHOF-MRVPVSSYSA-N 0 0 176.256 1.199 10 0 ADAERN Cc1ccc([C@@H](O)c2nc[nH]n2)cc1 5416698 343002269 /nfs/dbraw/zinc/00/22/69/343002269.db2.gz XJESVXWQLSGHEJ-SECBINFHSA-N 0 0 189.218 1.195 10 0 ADAERN C1CC[C@H]2OCO[C@@H]2C1 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343002761 /nfs/dbraw/zinc/00/27/61/343002761.db2.gz CFVCMNWHQPJSCY-ZCFIWIBFSA-N 0 0 188.296 1.450 10 0 ADAERN CO[C@H]1CC(C)(C)N=C(SC)N1 5425203 343002802 /nfs/dbraw/zinc/00/28/02/343002802.db2.gz CFVCMNWHQPJSCY-LURJTMIESA-N 0 0 188.296 1.450 10 0 ADAERN C1CC[C@H]2OCO[C@H]2C1 5425944 343002809 /nfs/dbraw/zinc/00/28/09/343002809.db2.gz TYSYUUIDELSMQE-KNVOCYPGSA-N 0 0 128.171 1.302 10 0 ADAERN CC(=O)O[C@H](C)C(C)C 5457172 343002969 /nfs/dbraw/zinc/00/29/69/343002969.db2.gz ZLSXRPTWWRGMTJ-ZCFIWIBFSA-N 0 0 130.187 1.594 10 0 ADAERN CC1(C)Oc2c(O)cccc2[C@@H]1O 5456161 343003100 /nfs/dbraw/zinc/00/31/00/343003100.db2.gz CNFFSKAZCVPTPA-VIFPVBQESA-N 0 0 180.203 1.597 10 0 ADAERN CC1=NC(=S)N=N1 5497742 343003845 /nfs/dbraw/zinc/00/38/45/343003845.db2.gz KVZFUSOGIRITMN-UHFFFAOYSA-N 0 0 113.145 1.156 10 0 ADAERN CC[C@H](C)C(OC)OC 5924603 343009878 /nfs/dbraw/zinc/00/98/78/343009878.db2.gz JGOGDQQVGHYHOP-LURJTMIESA-N 0 0 132.203 1.651 10 0 ADAERN CSc1cc(C)nc2ncnn12 5541362 343004654 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343011487 /nfs/dbraw/zinc/01/14/87/343011487.db2.gz UKJQTRVEZWBIRE-PHDIDXHHSA-N 0 0 112.172 1.622 10 0 in-vitro ADAERN C[C@H](CO)OC(=O)c1ccccc1 6036616 343011506 /nfs/dbraw/zinc/01/15/06/343011506.db2.gz LBPLLQWWWCNJBE-MRVPVSSYSA-N 0 0 180.203 1.224 10 0 ADAERN C[C@H](O)c1ccc(O)cc1O 6030346 343011593 /nfs/dbraw/zinc/01/15/93/343011593.db2.gz DUNRSBLUMXLQPE-YFKPBYRVSA-N 0 0 154.165 1.151 10 0 ADAERN C[C@H]1CCCOC1 6037546 343011923 /nfs/dbraw/zinc/01/19/23/343011923.db2.gz UJQZTMFRMLEYQN-LURJTMIESA-N 0 0 100.161 1.433 10 0 ADAERN Cc1ccc([C@](C)(O)CO)cc1 6071087 343012206 /nfs/dbraw/zinc/01/22/06/343012206.db2.gz JVSJDMWWPVKLEI-SNVBAGLBSA-N 0 0 166.220 1.195 10 0 ADAERN Cc1c(N)ccc(Cl)c1N 6069024 343012213 /nfs/dbraw/zinc/01/22/13/343012213.db2.gz YVNQCASJZRKYQY-UHFFFAOYSA-N 0 0 156.616 1.813 10 0 ADAERN Cc1ccc([C@H](C[NH3+])CC(=O)[O-])s1 6071290 343012244 /nfs/dbraw/zinc/01/22/44/343012244.db2.gz RPNWEWXYTFWDTR-ZETCQYMHSA-N 0 0 199.275 1.574 10 0 in-vivo ADAERN Cc1ccc(NC(N)=O)c(O)c1 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/nfs/dbraw/zinc/01/69/39/343016939.db2.gz QOJCZWOJDIZTIK-UHFFFAOYSA-N 0 0 151.209 1.840 10 0 ADAERN CCC(=O)Nc1ccc(N)cc1O 7448023 343017189 /nfs/dbraw/zinc/01/71/89/343017189.db2.gz WRJGZZJDRXLPLH-UHFFFAOYSA-N 0 0 180.207 1.323 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H]1O 8100922 343017652 /nfs/dbraw/zinc/01/76/52/343017652.db2.gz UIEZBRDQSWACQJ-DSYKOEDSSA-N 0 0 114.188 1.413 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@H](O)C1 8100924 343017836 /nfs/dbraw/zinc/01/78/36/343017836.db2.gz UIEZBRDQSWACQJ-FSDSQADBSA-N 0 0 114.188 1.413 10 0 ADAERN Cc1c(O)ccc2c1OCO2 7992333 343017898 /nfs/dbraw/zinc/01/78/98/343017898.db2.gz ZBFVXNCYGRJZCR-UHFFFAOYSA-N 0 0 152.149 1.429 10 0 ADAERN CNC(=O)c1c(C)cc(C)nc1Cl 8491480 343018697 /nfs/dbraw/zinc/01/86/97/343018697.db2.gz YBDZFUFMKZTXSU-UHFFFAOYSA-N 0 0 198.653 1.711 10 0 ADAERN Cc1nc2cc(NC=O)ccc2[nH]1 8535817 343018707 /nfs/dbraw/zinc/01/87/07/343018707.db2.gz VMYIRBFPVVQQTA-UHFFFAOYSA-N 0 0 175.191 1.440 10 0 ADAERN Cc1cccc(C(=O)C=O)c1 8698433 343019659 /nfs/dbraw/zinc/01/96/59/343019659.db2.gz DTLVGIKUJXGMCQ-UHFFFAOYSA-N 0 0 148.161 1.377 10 0 ADAERN C[C@H](NO)c1ccncc1 8700241 343019939 /nfs/dbraw/zinc/01/99/39/343019939.db2.gz GNBLLVODPPXGNT-LURJTMIESA-N 0 0 138.170 1.121 10 0 ADAERN CCCCNc1ncco1 8699325 343019943 /nfs/dbraw/zinc/01/99/43/343019943.db2.gz DBBRHIRMYBSXNE-UHFFFAOYSA-N 0 0 140.186 1.887 10 0 ADAERN C[C@H](NO)c1ccccn1 8700249 343019987 /nfs/dbraw/zinc/01/99/87/343019987.db2.gz PRVMDFCARKTSAK-LURJTMIESA-N 0 0 138.170 1.121 10 0 ADAERN CC(C)Nc1ncco1 8699321 343020045 /nfs/dbraw/zinc/02/00/45/343020045.db2.gz ACBGWOGFDRAQLN-UHFFFAOYSA-N 0 0 126.159 1.495 10 0 ADAERN CCCCC1N=NC(=S)N1 8727448 343020351 /nfs/dbraw/zinc/02/03/51/343020351.db2.gz ILHGXDYIVFQLIO-UHFFFAOYSA-N 0 0 157.242 1.436 10 0 ADAERN Cn1cccc1Cc1nnc(N)s1 8727070 343020430 /nfs/dbraw/zinc/02/04/30/343020430.db2.gz CGFHIMXZGFMJOA-UHFFFAOYSA-N 0 0 194.263 1.050 10 0 ADAERN Cc1cccc2nc(CCO)cn12 9238538 343021027 /nfs/dbraw/zinc/02/10/27/343021027.db2.gz GABDZANIXAADSI-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN Cc1ccn2cc(CCO)nc2c1 9238549 343021173 /nfs/dbraw/zinc/02/11/73/343021173.db2.gz PIGBIDCMRJSGSS-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN CCn1c(CCO)nc2ccccc21 8786059 343021228 /nfs/dbraw/zinc/02/12/28/343021228.db2.gz RFEISYRXURZHLR-UHFFFAOYSA-N 0 0 190.246 1.591 10 0 ADAERN Cc1ccc2nc(CCO)cn2c1 9238543 343021239 /nfs/dbraw/zinc/02/12/39/343021239.db2.gz LDHWTTIGOBIDSW-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN Cc1cccn2cc(CCO)nc12 9238554 343021278 /nfs/dbraw/zinc/02/12/78/343021278.db2.gz VTLRHVULGBRTOS-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN Cc1c(CO)c2ccccc2n1C 9280657 343021458 /nfs/dbraw/zinc/02/14/58/343021458.db2.gz MCYVXCBPWVUKAR-UHFFFAOYSA-N 0 0 175.231 1.979 10 0 ADAERN C[C@H](N)c1nnc(-c2cccs2)o1 11586061 343022858 /nfs/dbraw/zinc/02/28/58/343022858.db2.gz ZHKGTXUPUYPCBR-YFKPBYRVSA-N 0 0 195.247 1.818 10 0 ADAERN C[C@H](N)c1nnc(-c2cccnc2)o1 11586070 343022918 /nfs/dbraw/zinc/02/29/18/343022918.db2.gz VDGDKZVGNCXXNT-LURJTMIESA-N 0 0 190.206 1.151 10 0 ADAERN Cc1cccc(-c2nnc(CN)o2)c1 11585610 343022952 /nfs/dbraw/zinc/02/29/52/343022952.db2.gz SBMFZABAGWXGLD-UHFFFAOYSA-N 0 0 189.218 1.504 10 0 ADAERN C[C@H]1CCCC[N@@H+]1CC(C)(C)C(=O)[O-] 11799536 343024540 /nfs/dbraw/zinc/02/45/40/343024540.db2.gz FBRTUAOXFXEUDH-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CCn1ccnc1[C@@H](N)c1ccco1 11735109 343024564 /nfs/dbraw/zinc/02/45/64/343024564.db2.gz GCWQMOHXFUYNPA-VIFPVBQESA-N 0 0 191.234 1.544 10 0 ADAERN CCn1ccnc1[C@H](N)c1ccco1 11735110 343024577 /nfs/dbraw/zinc/02/45/77/343024577.db2.gz GCWQMOHXFUYNPA-SECBINFHSA-N 0 0 191.234 1.544 10 0 ADAERN Cc1cc(C(F)(F)F)ncn1 11804111 343024978 /nfs/dbraw/zinc/02/49/78/343024978.db2.gz ZWXIXHAKODDHHY-UHFFFAOYSA-N 0 0 162.114 1.804 10 0 ADAERN CCn1c(Cl)c(C=O)sc1=O 11804312 343025101 /nfs/dbraw/zinc/02/51/01/343025101.db2.gz STDUJXFXLMWNHY-UHFFFAOYSA-N 0 0 191.639 1.396 10 0 ADAERN CCc1nnc(NC)s1 11920252 343026476 /nfs/dbraw/zinc/02/64/76/343026476.db2.gz FDTMSJCOZMGBFH-UHFFFAOYSA-N 0 0 143.215 1.142 10 0 ADAERN CC1CC[NH+](CC(C)(C)C(=O)[O-])CC1 11957353 343027829 /nfs/dbraw/zinc/02/78/29/343027829.db2.gz URICTWWAOSVHFJ-UHFFFAOYSA-N 0 0 199.294 1.829 10 0 ADAERN CCOC(=O)CCCCC(=O)OC 12153496 343028225 /nfs/dbraw/zinc/02/82/25/343028225.db2.gz CWOVOJUKEQPFBA-UHFFFAOYSA-N 0 0 188.223 1.283 10 0 ADAERN Cc1noc(-c2ccccc2CO)n1 12370397 343029171 /nfs/dbraw/zinc/02/91/71/343029171.db2.gz BYRLVHLJWIKABJ-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1noc(-c2ccc(C=O)cc2)n1 12370446 343029311 /nfs/dbraw/zinc/02/93/11/343029311.db2.gz AEMXYVCSLPLJOW-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 in-vitro ADAERN C[C@]1(O)OC(=O)c2ccccc21 12956598 343032538 /nfs/dbraw/zinc/03/25/38/343032538.db2.gz NXTNWTAZYOVOGN-VIFPVBQESA-N 0 0 164.160 1.022 10 0 ADAERN C[C@@]1(O)OC(=O)c2ccccc21 12956593 343032582 /nfs/dbraw/zinc/03/25/82/343032582.db2.gz NXTNWTAZYOVOGN-SECBINFHSA-N 0 0 164.160 1.022 10 0 ADAERN CCC1=NC(C)C(=O)S1 12959111 343032920 /nfs/dbraw/zinc/03/29/20/343032920.db2.gz MCHYEDYKGJENFY-UHFFFAOYSA-N 0 0 143.211 1.720 10 0 ADAERN Cc1ccc(C)n1C1N=NC(=S)N1 13110826 343033164 /nfs/dbraw/zinc/03/31/64/343033164.db2.gz GGAGLIHCEPXBQD-UHFFFAOYSA-N 0 0 194.263 1.501 10 0 ADAERN CCc1cc(C)ccn1 13232910 343033738 /nfs/dbraw/zinc/03/37/38/343033738.db2.gz WFGFGSWFQKXOAE-UHFFFAOYSA-N 0 0 121.183 1.952 10 0 ADAERN CC1(C)[C@H]2C[C@](C)(O)[C@H](O)C[C@H]21 13298477 343034092 /nfs/dbraw/zinc/03/40/92/343034092.db2.gz AHVKNBRJVKCGKJ-JIOCBJNQSA-N 0 0 170.252 1.164 10 0 ADAERN CN(C)CC(=O)c1ccc(O)cc1 13352580 343034147 /nfs/dbraw/zinc/03/41/47/343034147.db2.gz VUEDDMDOQVIYSD-UHFFFAOYSA-N 0 0 179.219 1.137 10 0 ADAERN COc1cc(O)cc(C)c1C=O 13334459 343034284 /nfs/dbraw/zinc/03/42/84/343034284.db2.gz FQOTZLQTVXWZQZ-UHFFFAOYSA-N 0 0 166.176 1.522 10 0 ADAERN Cc1nc2c(nc1C)CCC2 13460359 343034613 /nfs/dbraw/zinc/03/46/13/343034613.db2.gz AIKNQWWUQFXNAZ-UHFFFAOYSA-N 0 0 148.209 1.582 10 0 endogenous,in-man ADAERN Cc1nn(C)c(N)c1C1=CCCC1 13365377 343034717 /nfs/dbraw/zinc/03/47/17/343034717.db2.gz XTTFYDORIIBTNC-UHFFFAOYSA-N 0 0 177.251 1.878 10 0 ADAERN CCCC[C@@H]1C(=O)O[C@@H](C)[C@@H]1O 13380480 343034720 /nfs/dbraw/zinc/03/47/20/343034720.db2.gz LLALEXXCKCFLES-FXQIFTODSA-N 0 0 172.224 1.099 10 0 ADAERN C[C@H]1CC(=O)c2ccncc21 13404998 343034730 /nfs/dbraw/zinc/03/47/30/343034730.db2.gz FPGXBNAQBBCGLH-LURJTMIESA-N 0 0 147.177 1.772 10 0 biogenic,in-vitro ADAERN CC1=NO[C@]2(O)C[C@H]3[C@@H]([C@@H]12)C3(C)C 13468017 343035074 /nfs/dbraw/zinc/03/50/74/343035074.db2.gz GZCUMBXVOIWKDO-PYHGXSLLSA-N 0 0 181.235 1.373 10 0 ADAERN CCCN(CC)C(=O)NC 13493658 343035098 /nfs/dbraw/zinc/03/50/98/343035098.db2.gz CBAMUMBKXCRDIY-UHFFFAOYSA-N 0 0 144.218 1.058 10 0 ADAERN OC/C(Cl)=C\Cl 13509902 343035165 /nfs/dbraw/zinc/03/51/65/343035165.db2.gz RCVUBNYOVBXVBD-HNQUOIGGSA-N 0 0 126.970 1.298 10 0 ADAERN CCOc1cc(COC)ccc1O 13481851 343035230 /nfs/dbraw/zinc/03/52/30/343035230.db2.gz FNEWGEWRECZWQM-UHFFFAOYSA-N 0 0 182.219 1.937 10 0 endogenous,in-man ADAERN Cc1cc(O)c(C)c(O)c1C=O 13484856 343035323 /nfs/dbraw/zinc/03/53/23/343035323.db2.gz XOAAGSCMGLMPKG-UHFFFAOYSA-N 0 0 166.176 1.527 10 0 ADAERN CC(=O)/C=C/C[C@H]1CC=CC(=O)O1 13480139 343035328 /nfs/dbraw/zinc/03/53/28/343035328.db2.gz WTXFBCVFHRHFQD-LXOKAJLYSA-N 0 0 180.203 1.393 10 0 ADAERN COc1cc(C)c(C=O)c(O)c1C 13484858 343035356 /nfs/dbraw/zinc/03/53/56/343035356.db2.gz KDUUURSYZCGUBI-UHFFFAOYSA-N 0 0 180.203 1.830 10 0 ADAERN CCC(=O)Cc1ccc(O)cc1 13525026 343035579 /nfs/dbraw/zinc/03/55/79/343035579.db2.gz PARHMNZPOUVEIQ-UHFFFAOYSA-N 0 0 164.204 1.914 10 0 ADAERN C[C@H](O)C(=O)c1ccc(F)cc1 13534431 343035641 /nfs/dbraw/zinc/03/56/41/343035641.db2.gz WPGAERROKPAEPK-LURJTMIESA-N 0 0 168.167 1.389 10 0 ADAERN Cc1cccc(C(=O)[C@H](C)O)c1 13534357 343035685 /nfs/dbraw/zinc/03/56/85/343035685.db2.gz OMVQOLJSCKLZHL-QMMMGPOBSA-N 0 0 164.204 1.559 10 0 ADAERN CC(C)CSCC[C@H]([NH3+])C(=O)[O-] 13537792 343035723 /nfs/dbraw/zinc/03/57/23/343035723.db2.gz UTPXDYGJCCQQGX-ZETCQYMHSA-N 0 0 191.296 1.178 10 0 ADAERN C[S@](=O)C1CCCC1 13512713 343035759 /nfs/dbraw/zinc/03/57/59/343035759.db2.gz CXQKKULKIQXSBU-MRVPVSSYSA-N 0 0 132.228 1.308 10 0 ADAERN Cc1cccc(C(=O)[C@@H](C)O)c1 13534352 343035762 /nfs/dbraw/zinc/03/57/62/343035762.db2.gz OMVQOLJSCKLZHL-MRVPVSSYSA-N 0 0 164.204 1.559 10 0 ADAERN C[C@H](O)C(=O)c1ccccc1F 13534494 343035768 /nfs/dbraw/zinc/03/57/68/343035768.db2.gz ARCUIEFXWVXXPS-LURJTMIESA-N 0 0 168.167 1.389 10 0 ADAERN C[C@H](O)C(=O)c1cc(F)cc(F)c1 13534608 343035770 /nfs/dbraw/zinc/03/57/70/343035770.db2.gz GFYASXQNMSRWMP-YFKPBYRVSA-N 0 0 186.157 1.528 10 0 ADAERN C[C@@H](O)C(=O)c1cccc(F)c1 13534329 343035772 /nfs/dbraw/zinc/03/57/72/343035772.db2.gz IWFXDIHTNIZAKH-ZCFIWIBFSA-N 0 0 168.167 1.389 10 0 ADAERN C[S@@](=O)C1CCCC1 13512711 343035817 /nfs/dbraw/zinc/03/58/17/343035817.db2.gz CXQKKULKIQXSBU-QMMMGPOBSA-N 0 0 132.228 1.308 10 0 ADAERN Cc1ccccc1C(=O)[C@H](C)O 13534497 343035829 /nfs/dbraw/zinc/03/58/29/343035829.db2.gz JKWDUWGSBORZAT-QMMMGPOBSA-N 0 0 164.204 1.559 10 0 ADAERN C[C@@H](O)C(=O)c1ccc(F)cc1 13534427 343035831 /nfs/dbraw/zinc/03/58/31/343035831.db2.gz WPGAERROKPAEPK-ZCFIWIBFSA-N 0 0 168.167 1.389 10 0 ADAERN C/C=C\CC[C@@H](C)O 13547990 343036199 /nfs/dbraw/zinc/03/61/99/343036199.db2.gz IFSYJVQRVQMRKN-KFOINNEUSA-N 0 0 114.188 1.724 10 0 ADAERN C/C=C\CC[C@H](C)O 13547993 343036216 /nfs/dbraw/zinc/03/62/16/343036216.db2.gz IFSYJVQRVQMRKN-AVALRIAPSA-N 0 0 114.188 1.724 10 0 ADAERN CC1(C)O[C@]2(C)CC[C@H]1C(=O)C2 13543109 343036233 /nfs/dbraw/zinc/03/62/33/343036233.db2.gz RFXTXEOQEMTRHL-OIBJUYFYSA-N 0 0 168.236 1.923 10 0 ADAERN CCCCC[C@H](O)CC(C)=O 13542628 343036242 /nfs/dbraw/zinc/03/62/42/343036242.db2.gz GCVWMCYVKQCNCM-VIFPVBQESA-N 0 0 158.241 1.907 10 0 ADAERN Cc1ccc(-c2cn[nH]n2)nc1 13671903 343036642 /nfs/dbraw/zinc/03/66/42/343036642.db2.gz VGDKGGLEMCUKRK-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN CC(C)[C@@H]1N(C(N)=S)N=CC1(C)C 13656082 343036699 /nfs/dbraw/zinc/03/66/99/343036699.db2.gz ACLXSFDBMAOJCS-ZETCQYMHSA-N 0 0 199.323 1.582 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)CCO2 13683736 343036781 /nfs/dbraw/zinc/03/67/81/343036781.db2.gz IOWHBWAURDUJKJ-VIFPVBQESA-N 0 0 164.204 1.811 10 0 ADAERN Cc1nc(-c2cccnc2)c[nH]1 13607124 343036800 /nfs/dbraw/zinc/03/68/00/343036800.db2.gz CRTCNWBTASZQFC-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)CCO2 13683716 343036930 /nfs/dbraw/zinc/03/69/30/343036930.db2.gz IOWHBWAURDUJKJ-SECBINFHSA-N 0 0 164.204 1.811 10 0 ADAERN CC(C)[C@H]1N(C(N)=S)N=CC1(C)C 13656085 343037061 /nfs/dbraw/zinc/03/70/61/343037061.db2.gz ACLXSFDBMAOJCS-SSDOTTSWSA-N 0 0 199.323 1.582 10 0 ADAERN C[C@H]1CCN2C(=O)CC[C@H]12 18717270 343048848 /nfs/dbraw/zinc/04/88/48/343048848.db2.gz XQRIFSFMAVSCKK-NKWVEPMBSA-N 0 0 139.198 1.017 10 0 ADAERN CN(C=O)C1CCCCC1 13779485 343037354 /nfs/dbraw/zinc/03/73/54/343037354.db2.gz AWIIFLDEDWAYGJ-UHFFFAOYSA-N 0 0 141.214 1.407 10 0 ADAERN CCCC[C@H]1CCNC1=O 13755872 343037359 /nfs/dbraw/zinc/03/73/59/343037359.db2.gz DNCSAZOZOPMDOV-ZETCQYMHSA-N 0 0 141.214 1.313 10 0 ADAERN C[C@H]1CCCC[C@]1(C[NH3+])CC(=O)[O-] 13779559 343037387 /nfs/dbraw/zinc/03/73/87/343037387.db2.gz VRSDDSCAGYMHDB-WCBMZHEXSA-N 0 0 185.267 1.616 10 0 ADAERN CCCC[C@@H]1CCNC1=O 13755871 343037411 /nfs/dbraw/zinc/03/74/11/343037411.db2.gz DNCSAZOZOPMDOV-SSDOTTSWSA-N 0 0 141.214 1.313 10 0 ADAERN CC[C@H]1CCCCNC1=O 13760780 343037413 /nfs/dbraw/zinc/03/74/13/343037413.db2.gz XJKHICJWKIWYGC-ZETCQYMHSA-N 0 0 141.214 1.313 10 0 ADAERN CNC(=S)NC1CCC(C)CC1 13775044 343037463 /nfs/dbraw/zinc/03/74/63/343037463.db2.gz QQNCYNGDXYYWIG-UHFFFAOYSA-N 0 0 186.324 1.659 10 0 ADAERN CCNC(=S)Nc1cn(C)nc1C 13771549 343037510 /nfs/dbraw/zinc/03/75/10/343037510.db2.gz RDSYYWHKFUBVEN-UHFFFAOYSA-N 0 0 198.295 1.035 10 0 ADAERN C[C@H]1CCCC[C@@]1(C[NH3+])CC(=O)[O-] 13779557 343037514 /nfs/dbraw/zinc/03/75/14/343037514.db2.gz VRSDDSCAGYMHDB-WPRPVWTQSA-N 0 0 185.267 1.616 10 0 ADAERN CC[C@@H]1CCCCNC1=O 13760779 343037541 /nfs/dbraw/zinc/03/75/41/343037541.db2.gz XJKHICJWKIWYGC-SSDOTTSWSA-N 0 0 141.214 1.313 10 0 ADAERN CNC(=S)N1CCC[C@H](C)C1 13826327 343037760 /nfs/dbraw/zinc/03/77/60/343037760.db2.gz HJCVGUQKLOSSEF-ZETCQYMHSA-N 0 0 172.297 1.223 10 0 ADAERN CNC(=S)N1CCC[C@@H](C)C1 13826325 343037779 /nfs/dbraw/zinc/03/77/79/343037779.db2.gz HJCVGUQKLOSSEF-SSDOTTSWSA-N 0 0 172.297 1.223 10 0 ADAERN CNC(=S)N1CCCCCC1 13827816 343037931 /nfs/dbraw/zinc/03/79/31/343037931.db2.gz HPSHMHLSGNPXTG-UHFFFAOYSA-N 0 0 172.297 1.367 10 0 ADAERN CNC(=S)N[C@@H](C)C(C)(C)C 13933791 343038231 /nfs/dbraw/zinc/03/82/31/343038231.db2.gz MLSSULOLLLZMHE-LURJTMIESA-N 0 0 174.313 1.515 10 0 ADAERN C[C@H]1CCCC[C@@H]1NS(C)(=O)=O 13939388 343038182 /nfs/dbraw/zinc/03/81/82/343038182.db2.gz DDEWBVWAXUKTOC-YUMQZZPRSA-N 0 0 191.296 1.114 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1S(C)(=O)=O 13946936 343038305 /nfs/dbraw/zinc/03/83/05/343038305.db2.gz NDRNIFSBRLCSCZ-OCAPTIKFSA-N 0 0 191.296 1.209 10 0 in-vivo ADAERN CC(C)[C@@H]1CC[C@](C)(O)CC1=O 14487944 343038614 /nfs/dbraw/zinc/03/86/14/343038614.db2.gz MITMEWYOGQSHSC-WPRPVWTQSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1cc2cccc(O)c2c(=O)o1 14488863 343038617 /nfs/dbraw/zinc/03/86/17/343038617.db2.gz GJSMLKPYZPFTCG-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN CCC(=O)[C@@H](C)[C@@H](O)CC 14490285 343038633 /nfs/dbraw/zinc/03/86/33/343038633.db2.gz GEZUGFBWAPDBGZ-BQBZGAKWSA-N 0 0 144.214 1.373 10 0 ADAERN C[C@H](CO)CC(=O)OC(C)(C)C 14489038 343038664 /nfs/dbraw/zinc/03/86/64/343038664.db2.gz UQKNLZHJMFBPPR-ZETCQYMHSA-N 0 0 174.240 1.347 10 0 ADAERN CCC(=O)[C@H](C)[C@@H](O)CC 14490283 343038674 /nfs/dbraw/zinc/03/86/74/343038674.db2.gz GEZUGFBWAPDBGZ-RQJHMYQMSA-N 0 0 144.214 1.373 10 0 ADAERN C/C=C\CCCOC(C)=O 14438731 343038721 /nfs/dbraw/zinc/03/87/21/343038721.db2.gz SXIMDPDAXHQFFD-ARJAWSKDSA-N 0 0 142.198 1.906 10 0 in-vitro,metabolite ADAERN Cc1cc2ccc(O)cc2oc1=O 14488849 343038744 /nfs/dbraw/zinc/03/87/44/343038744.db2.gz ZLQJVGSVJRBUNL-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN CC(C)[C@H]1CC[C@@](C)(O)CC1=O 14487942 343038797 /nfs/dbraw/zinc/03/87/97/343038797.db2.gz MITMEWYOGQSHSC-PSASIEDQSA-N 0 0 170.252 1.763 10 0 ADAERN CC(=O)CC/C=C(\C)CO 14490302 343038864 /nfs/dbraw/zinc/03/88/64/343038864.db2.gz ADYUMOXBWMFCHT-QPJJXVBHSA-N 0 0 142.198 1.294 10 0 ADAERN CCC(=O)[C@H](C)[C@H](O)CC 14490282 343038872 /nfs/dbraw/zinc/03/88/72/343038872.db2.gz GEZUGFBWAPDBGZ-RNFRBKRXSA-N 0 0 144.214 1.373 10 0 ADAERN COC(=O)CCCCCCCO 14494997 343038986 /nfs/dbraw/zinc/03/89/86/343038986.db2.gz ADTIBIOIERBRIB-UHFFFAOYSA-N 0 0 174.240 1.492 10 0 ADAERN C[C@H](O)Cc1ccc(O)cc1 14504794 343039038 /nfs/dbraw/zinc/03/90/38/343039038.db2.gz RODZBUUMGRIALV-ZETCQYMHSA-N 0 0 152.193 1.316 10 0 ADAERN CNC(=O)CCc1ccc(O)cc1 14504782 343039055 /nfs/dbraw/zinc/03/90/55/343039055.db2.gz DNGBSIQDUVQFDP-UHFFFAOYSA-N 0 0 179.219 1.071 10 0 ADAERN Cc1cccc(O)c1[C@@H](C)O 14491192 343039102 /nfs/dbraw/zinc/03/91/02/343039102.db2.gz QEXSZZROSHSOPE-SSDOTTSWSA-N 0 0 152.193 1.754 10 0 ADAERN COc1cc(O)cc(C)c1OC 14590493 343039135 /nfs/dbraw/zinc/03/91/35/343039135.db2.gz PEXUNKRRNXIMST-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN COc1ccc(O)c(OC)c1C 14590484 343039160 /nfs/dbraw/zinc/03/91/60/343039160.db2.gz FMFMDOJFLHYBOM-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN CCCC[C@@H](O)CCC(=O)OCC 14494962 343039172 /nfs/dbraw/zinc/03/91/72/343039172.db2.gz CVRDXMOYGSJRGF-SECBINFHSA-N 0 0 188.267 1.881 10 0 ADAERN CC1=CC[C@@H](C(C)C)[C@@H](O)[C@@H]1O 14588774 343039220 /nfs/dbraw/zinc/03/92/20/343039220.db2.gz IZVTYOJWVVOBBO-IVZWLZJFSA-N 0 0 170.252 1.330 10 0 ADAERN CC(C)[C@@H]1CC[C@](C)(O)[C@@H](O)C1 14588461 343039263 /nfs/dbraw/zinc/03/92/63/343039263.db2.gz RYLFWQILVNWPEL-UTLUCORTSA-N 0 0 172.268 1.554 10 0 ADAERN COC(=O)CCCCSC 14589136 343039300 /nfs/dbraw/zinc/03/93/00/343039300.db2.gz FXHPFPBWTMLUDB-UHFFFAOYSA-N 0 0 162.254 1.693 10 0 ADAERN CC/C=C/C=C/[C@H](C)O 14616385 343039406 /nfs/dbraw/zinc/03/94/06/343039406.db2.gz RQQKJGCMOJSSOV-MBFKRBPYSA-N 0 0 126.199 1.890 10 0 ADAERN CC/C=C/C=C/[C@@H](C)O 14616384 343039519 /nfs/dbraw/zinc/03/95/19/343039519.db2.gz RQQKJGCMOJSSOV-VZJIETKXSA-N 0 0 126.199 1.890 10 0 ADAERN OC(=S)c1cccc(C(O)=S)n1 14684155 343039683 /nfs/dbraw/zinc/03/96/83/343039683.db2.gz SSRIAMRLMUFTNV-UHFFFAOYSA-N 0 0 199.256 1.549 10 0 in-vitro ADAERN CCC(=O)OC[C@H](O)c1ccccc1 14651604 343039775 /nfs/dbraw/zinc/03/97/75/343039775.db2.gz FFYYFERLDCVSLB-JTQLQIEISA-N 0 0 194.230 1.673 10 0 ADAERN CC(C)[C@@H](Nc1ccccc1)C(N)=O 14827262 343040103 /nfs/dbraw/zinc/04/01/03/343040103.db2.gz YICPUIZBHYKSPG-SNVBAGLBSA-N 0 0 192.262 1.608 10 0 ADAERN C=Cc1cncc(C(=O)OC)c1 14829609 343040266 /nfs/dbraw/zinc/04/02/66/343040266.db2.gz UAVVZJIMFHIEJV-UHFFFAOYSA-N 0 0 163.176 1.511 10 0 ADAERN Cc1cc(F)cc2n[nH]c(C=O)c12 14984653 343040511 /nfs/dbraw/zinc/04/05/11/343040511.db2.gz BWUIAGIQHNMDAB-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN Cc1cc(C)c2c(C=O)n[nH]c2c1 14984689 343040540 /nfs/dbraw/zinc/04/05/40/343040540.db2.gz VNDKSFRUCFGLFC-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 in-vitro ADAERN CCn1ccc(C(C)=O)c1 15014473 343040873 /nfs/dbraw/zinc/04/08/73/343040873.db2.gz NDOWBYCXJGDKTG-UHFFFAOYSA-N 0 0 137.182 1.711 10 0 ADAERN Cc1c[nH]cc2c(C=O)cnc1-2 14986189 343040922 /nfs/dbraw/zinc/04/09/22/343040922.db2.gz LHORUEFKJJLEMR-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN CCC(=O)OBr 14989404 343040945 /nfs/dbraw/zinc/04/09/45/343040945.db2.gz UCKZQZDVQVFOHP-UHFFFAOYSA-N 0 0 152.975 1.250 10 0 ADAERN Cc1ccc2c(C=O)n[nH]c2c1C 14985880 343041074 /nfs/dbraw/zinc/04/10/74/343041074.db2.gz LPEXVEWAEXGBLF-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 in-vitro ADAERN CCc1cccc2c1[C@@](C)(O)C(=O)N2 15042425 343041376 /nfs/dbraw/zinc/04/13/76/343041376.db2.gz BIEZABJQZMENGK-LLVKDONJSA-N 0 0 191.230 1.409 10 0 ADAERN C=C/C(C)=C\C[C@@H](O)C(C)(C)O 15120358 343041442 /nfs/dbraw/zinc/04/14/42/343041442.db2.gz BTHAWHOTHGQIKC-JGAIRUGNSA-N 0 0 170.252 1.641 10 0 ADAERN CC(C)CCC[C@@](C)(O)CCO 15120722 343041456 /nfs/dbraw/zinc/04/14/56/343041456.db2.gz LTCZAAUBVPCAHG-SNVBAGLBSA-N 0 0 174.284 1.946 10 0 ADAERN C=C/C(C)=C\C[C@H](O)C(C)(C)O 15120359 343041556 /nfs/dbraw/zinc/04/15/56/343041556.db2.gz BTHAWHOTHGQIKC-XZLDQRQTSA-N 0 0 170.252 1.641 10 0 ADAERN COC(=O)/C=C(\C)C(C)C 15120885 343041743 /nfs/dbraw/zinc/04/17/43/343041743.db2.gz YDASEMNTSWHURH-FNORWQNLSA-N 0 0 142.198 1.762 10 0 ADAERN CCc1cncc(C(=O)OC)c1 15205588 343041760 /nfs/dbraw/zinc/04/17/60/343041760.db2.gz SVJRFDLLBQTDOV-UHFFFAOYSA-N 0 0 165.192 1.431 10 0 ADAERN CC/C=C\C[C@@H](C)O 15272645 343041899 /nfs/dbraw/zinc/04/18/99/343041899.db2.gz KZUFTCBJDQXWOJ-IQXGSHKSSA-N 0 0 114.188 1.724 10 0 endogenous,in-man ADAERN Cc1cnn2ccnc2c1 18559917 343048853 /nfs/dbraw/zinc/04/88/53/343048853.db2.gz DTVNFCGXTGMYMM-UHFFFAOYSA-N 0 0 133.154 1.038 10 0 ADAERN Cc1c[nH]c(Cl)c(F)c1=O 15684443 343042552 /nfs/dbraw/zinc/04/25/52/343042552.db2.gz CCAQQIAYNHUSKZ-UHFFFAOYSA-N 0 0 161.563 1.888 10 0 ADAERN Cc1c(Cl)cnc(F)c1C=O 15684477 343042646 /nfs/dbraw/zinc/04/26/46/343042646.db2.gz AOUGYSRKWAVVKO-UHFFFAOYSA-N 0 0 173.574 1.995 10 0 ADAERN CC(C)Sc1ccc(NN)nn1 15829612 343042820 /nfs/dbraw/zinc/04/28/20/343042820.db2.gz RXTQLKSSFPFSGX-UHFFFAOYSA-N 0 0 184.268 1.263 10 0 ADAERN C[N@@H+]1CCC[C@](C)(C(=O)[O-])CC1 16697853 343044441 /nfs/dbraw/zinc/04/44/41/343044441.db2.gz NSVXOXZFDOXHOC-VIFPVBQESA-N 0 0 171.240 1.193 10 0 ADAERN CCc1cc2nc(N)nc(N)c2s1 16697747 343044558 /nfs/dbraw/zinc/04/45/58/343044558.db2.gz RUARECTWZFPDFK-UHFFFAOYSA-N 0 0 194.263 1.418 10 0 ADAERN C[N@@H+]1CCC[C@@](C)(C(=O)[O-])CC1 16697851 343044774 /nfs/dbraw/zinc/04/47/74/343044774.db2.gz NSVXOXZFDOXHOC-SECBINFHSA-N 0 0 171.240 1.193 10 0 ADAERN CC(C)(C)c1cc(=O)n2nc[nH]c2n1 16957827 343044982 /nfs/dbraw/zinc/04/49/82/343044982.db2.gz KAKGJIFXOGXAHM-UHFFFAOYSA-N 0 0 192.222 1.127 10 0 ADAERN CN1C(=O)OC[C@H]1c1ccccc1 16941430 343045017 /nfs/dbraw/zinc/04/50/17/343045017.db2.gz PUVRCZAAJCWOBV-VIFPVBQESA-N 0 0 177.203 1.810 10 0 ADAERN CCOC(=O)/C=C(/C)Cl 16953149 343045206 /nfs/dbraw/zinc/04/52/06/343045206.db2.gz NCVQPBQMFVGACR-PLNGDYQASA-N 0 0 148.589 1.692 10 0 ADAERN CC(C)N1COCO[C@@H]2CCC[C@H]21 16940953 343045211 /nfs/dbraw/zinc/04/52/11/343045211.db2.gz XQLWGNBBUDFALE-NXEZZACHSA-N 0 0 185.267 1.580 10 0 ADAERN O=C1O[C@H]2CC=CC[C@H]2O1 17163557 343045884 /nfs/dbraw/zinc/04/58/84/343045884.db2.gz NLJDUSFLAAMLOL-OLQVQODUSA-N 0 0 140.138 1.240 10 0 ADAERN O[C@@H]1CCCC[C@@H]2C[C@@H]12 17060114 343046019 /nfs/dbraw/zinc/04/60/19/343046019.db2.gz HDHAVKJPOAAKFE-BWZBUEFSSA-N 0 0 126.199 1.557 10 0 ADAERN CCC[C@H](C)[C@@H]1SC(=N)NC1=O 17354629 343046235 /nfs/dbraw/zinc/04/62/35/343046235.db2.gz QKSWNEDBQQTXAU-WDSKDSINSA-N 0 0 186.280 1.589 10 0 ADAERN Cc1cccc2cc[nH]c(=O)c12 17175347 343046315 /nfs/dbraw/zinc/04/63/15/343046315.db2.gz WXJVQHWAFBGNLS-UHFFFAOYSA-N 0 0 159.188 1.837 10 0 ADAERN OCC1[C@@H]2CCC3CC[C@@H]1C32 17343997 343046376 /nfs/dbraw/zinc/04/63/76/343046376.db2.gz MUEJREKAGYXFAN-NCVQKCBWSA-N 0 0 152.237 1.661 10 0 ADAERN CC(C)OC(=O)CC(C)(F)F 17409331 343046780 /nfs/dbraw/zinc/04/67/80/343046780.db2.gz HSXMGLOMNNBPGH-UHFFFAOYSA-N 0 0 166.167 1.983 10 0 ADAERN O[C@@H]1CC2[C@@H]3C=CC1C=C[C@H]23 17435068 343046840 /nfs/dbraw/zinc/04/68/40/343046840.db2.gz NSIOQACXTACLHU-URESZAIDSA-N 0 0 148.205 1.355 10 0 ADAERN CC(=O)NC(C)(C)C(F)(F)F 17414768 343046955 /nfs/dbraw/zinc/04/69/55/343046955.db2.gz FEUVOLCGHZADOX-UHFFFAOYSA-N 0 0 169.146 1.463 10 0 ADAERN CC(=O)[C@H]1O[C@@H]1CC(C)(C)C 18670343 343048841 /nfs/dbraw/zinc/04/88/41/343048841.db2.gz JNCAMLOCQYWIOT-HTQZYQBOSA-N 0 0 156.225 1.779 10 0 ADAERN CC(=O)NC(C)(C)C1CCC1 18677841 343048845 /nfs/dbraw/zinc/04/88/45/343048845.db2.gz ORYNBGORIIUWEN-UHFFFAOYSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H]1CCn2ccnc2C1 18558580 343048972 /nfs/dbraw/zinc/04/89/72/343048972.db2.gz GBYRDZITMISMEX-ZETCQYMHSA-N 0 0 136.198 1.465 10 0 ADAERN CCCCC[C@@H]1O[C@@H]1CO 19060492 343049228 /nfs/dbraw/zinc/04/92/28/343049228.db2.gz PFEZFCUFFWFUKS-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCCCC[C@@H]1O[C@H]1CO 19060496 343049302 /nfs/dbraw/zinc/04/93/02/343049302.db2.gz PFEZFCUFFWFUKS-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](NN)C2 19170447 343052024 /nfs/dbraw/zinc/05/20/24/343052024.db2.gz MSFJUXXAQDRETA-QXFUBDJGSA-N 0 0 168.284 1.665 10 0 ADAERN C1C2CC3CC1CC(C2)C31NN1 19168489 343052184 /nfs/dbraw/zinc/05/21/84/343052184.db2.gz JCQMOAOWVGICAE-UHFFFAOYSA-N 0 0 164.252 1.247 10 0 ADAERN Cc1ccc(C)n1-c1ncccn1 19414007 343054549 /nfs/dbraw/zinc/05/45/49/343054549.db2.gz UYDWEKDCEPVFHH-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CCCCCCNC(=O)CC(C)=O 19411676 343054586 /nfs/dbraw/zinc/05/45/86/343054586.db2.gz WKUJTXURFXTQIY-UHFFFAOYSA-N 0 0 185.267 1.662 10 0 ADAERN CNC(=O)C(C1CC1)C1CC1 19458228 343055679 /nfs/dbraw/zinc/05/56/79/343055679.db2.gz FNNYMPRGSPXLHQ-UHFFFAOYSA-N 0 0 153.225 1.169 10 0 ADAERN CC1=C(CO)CCC2(C1)OCCO2 19799534 343060806 /nfs/dbraw/zinc/06/08/06/343060806.db2.gz JFXPWIJAKDCJTJ-UHFFFAOYSA-N 0 0 184.235 1.222 10 0 ADAERN CC(C)N(C)C(=O)c1cccc(O)c1 19837631 343061768 /nfs/dbraw/zinc/06/17/68/343061768.db2.gz QOSZMOGYHZPIOU-UHFFFAOYSA-N 0 0 193.246 1.873 10 0 ADAERN Cc1nc2c(N)c(N)ccc2s1 19865876 343062391 /nfs/dbraw/zinc/06/23/91/343062391.db2.gz WTJUOJNWXXWUTG-UHFFFAOYSA-N 0 0 179.248 1.769 10 0 ADAERN O=C1[C@@H]2CC=C[C@@H]2C12SCCS2 19866010 343062501 /nfs/dbraw/zinc/06/25/01/343062501.db2.gz FRTDUFQUBKMOKG-RQJHMYQMSA-N 0 0 198.312 1.938 10 0 ADAERN O=C1[C@@H]2CC=C[C@H]2C12SCCS2 19866016 343062548 /nfs/dbraw/zinc/06/25/48/343062548.db2.gz FRTDUFQUBKMOKG-RNFRBKRXSA-N 0 0 198.312 1.938 10 0 ADAERN Cc1cc(-c2nnc(N)s2)c(C)o1 19874329 343062611 /nfs/dbraw/zinc/06/26/11/343062611.db2.gz XAEDMMHKKSMYSK-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN O=C1[C@H]2CC=C[C@H]2C12SCCS2 19866019 343062628 /nfs/dbraw/zinc/06/26/28/343062628.db2.gz FRTDUFQUBKMOKG-NKWVEPMBSA-N 0 0 198.312 1.938 10 0 ADAERN O=C1[C@H]2CC=C[C@@H]2C12SCCS2 19866013 343062678 /nfs/dbraw/zinc/06/26/78/343062678.db2.gz FRTDUFQUBKMOKG-BQBZGAKWSA-N 0 0 198.312 1.938 10 0 ADAERN Cc1nc(N)ncc1-c1ccccn1 19898388 343063603 /nfs/dbraw/zinc/06/36/03/343063603.db2.gz VFFDWCORMUDJAM-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1nc(N)ncc1-c1cccnc1 19898389 343063660 /nfs/dbraw/zinc/06/36/60/343063660.db2.gz LUUOUNFGKGSIJS-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCc1nc2n(n1)Cc1ccccc1-2 19910239 343064021 /nfs/dbraw/zinc/06/40/21/343064021.db2.gz VQMZKJOFIKBJMC-UHFFFAOYSA-N 0 0 185.230 1.869 10 0 ADAERN CCOC(=O)[C@@H]1SC(C)=N[C@H]1C 19908562 343064044 /nfs/dbraw/zinc/06/40/44/343064044.db2.gz KMBBEEHSAWBFRG-CAHLUQPWSA-N 0 0 187.264 1.472 10 0 ADAERN Cc1cccc2c(=O)cn[nH]c12 19909413 343064052 /nfs/dbraw/zinc/06/40/52/343064052.db2.gz HPVCIMPQPYHDPM-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN CCOC(=O)[C@H]1SC(C)=N[C@@H]1C 19908559 343064175 /nfs/dbraw/zinc/06/41/75/343064175.db2.gz KMBBEEHSAWBFRG-VDTYLAMSSA-N 0 0 187.264 1.472 10 0 ADAERN CCOC(=O)[C@@H]1SC(C)=N[C@@H]1C 19908557 343064240 /nfs/dbraw/zinc/06/42/40/343064240.db2.gz KMBBEEHSAWBFRG-IYSWYEEDSA-N 0 0 187.264 1.472 10 0 ADAERN CCOC(=O)[C@H]1SC(C)=N[C@H]1C 19908565 343064283 /nfs/dbraw/zinc/06/42/83/343064283.db2.gz KMBBEEHSAWBFRG-FSPLSTOPSA-N 0 0 187.264 1.472 10 0 ADAERN CC(C)Nc1ccc(N)nc1 19953017 343065068 /nfs/dbraw/zinc/06/50/68/343065068.db2.gz SYJKHNDHKWZDBY-UHFFFAOYSA-N 0 0 151.213 1.484 10 0 ADAERN CC[C@H](C)[C@H](N)c1nc(C)no1 20019228 343065798 /nfs/dbraw/zinc/06/57/98/343065798.db2.gz IBTFMUYKBNADIJ-FSPLSTOPSA-N 0 0 169.228 1.424 10 0 ADAERN Cc1ccc([C@H](C)O)o1 20030846 343066186 /nfs/dbraw/zinc/06/61/86/343066186.db2.gz NYWUEUASUFTGQW-LURJTMIESA-N 0 0 126.155 1.641 10 0 ADAERN CNC(=O)CNc1ccc(C)cc1C 20034908 343066250 /nfs/dbraw/zinc/06/62/50/343066250.db2.gz VLWRPJLAGDICFH-UHFFFAOYSA-N 0 0 192.262 1.461 10 0 ADAERN CNC(=O)CNc1cc(C)ccc1C 20056052 343066628 /nfs/dbraw/zinc/06/66/28/343066628.db2.gz FGZYBFFMIJWYFG-UHFFFAOYSA-N 0 0 192.262 1.461 10 0 ADAERN CNC(=O)CNc1cc(C)cc(C)c1 20053395 343066639 /nfs/dbraw/zinc/06/66/39/343066639.db2.gz XRDNNMZGZRGRKQ-UHFFFAOYSA-N 0 0 192.262 1.461 10 0 ADAERN Cc1nn(C)c(C)c1NC(C)C 20135127 343068227 /nfs/dbraw/zinc/06/82/27/343068227.db2.gz DIBIWMJUIIBMRD-UHFFFAOYSA-N 0 0 167.256 1.857 10 0 ADAERN CC(C)[C@H](C)Nc1ncccn1 20302679 343071102 /nfs/dbraw/zinc/07/11/02/343071102.db2.gz WAEMXFZLJVYUOQ-QMMMGPOBSA-N 0 0 165.240 1.933 10 0 ADAERN CC(C)[C@@H](C)Nc1cnccn1 20302692 343071194 /nfs/dbraw/zinc/07/11/94/343071194.db2.gz LWDYEJDVDONMJR-MRVPVSSYSA-N 0 0 165.240 1.933 10 0 ADAERN CC(C)[C@@H](C)Nc1ncccn1 20302677 343071285 /nfs/dbraw/zinc/07/12/85/343071285.db2.gz WAEMXFZLJVYUOQ-MRVPVSSYSA-N 0 0 165.240 1.933 10 0 ADAERN CNC(=O)CNc1cc(C)ccc1F 20361493 343072325 /nfs/dbraw/zinc/07/23/25/343072325.db2.gz JQDAABFBMJYWEP-UHFFFAOYSA-N 0 0 196.225 1.292 10 0 ADAERN C[N@@H+]1[C@H]2CC[C@@H]1CC(CC(=O)[O-])C2 20523929 343074245 /nfs/dbraw/zinc/07/42/45/343074245.db2.gz CFLMZWGSEVZEHU-CBLAIPOGSA-N 0 0 183.251 1.334 10 0 ADAERN Cc1ccc(NC2CC2)nc1 20566160 343074260 /nfs/dbraw/zinc/07/42/60/343074260.db2.gz SFUDJBCWXHEIAM-UHFFFAOYSA-N 0 0 148.209 1.964 10 0 ADAERN CCCCNc1ncccc1C(N)=O 20545098 343074363 /nfs/dbraw/zinc/07/43/63/343074363.db2.gz AZCGWAOXVSJGSJ-UHFFFAOYSA-N 0 0 193.250 1.393 10 0 ADAERN C[N@@H+]1[C@H]2CC[C@@H]1CC(=CC(=O)[O-])C2 20523923 343074367 /nfs/dbraw/zinc/07/43/67/343074367.db2.gz GQPQTOXAXDEEAO-DTORHVGOSA-N 0 0 181.235 1.254 10 0 ADAERN C[C@H]1NN=Cc2cnccc21 20983088 343075140 /nfs/dbraw/zinc/07/51/40/343075140.db2.gz PUCQEGANVPRNCA-ZCFIWIBFSA-N 0 0 147.181 1.080 10 0 ADAERN C[C@H]1NN=Cc2ccncc21 20983099 343075142 /nfs/dbraw/zinc/07/51/42/343075142.db2.gz SFZHUJWQGDQLEG-ZCFIWIBFSA-N 0 0 147.181 1.080 10 0 ADAERN CCCN(C)C(=O)C1CC1 21413529 343075533 /nfs/dbraw/zinc/07/55/33/343075533.db2.gz GHCZNSRTCQSHBE-UHFFFAOYSA-N 0 0 141.214 1.265 10 0 ADAERN CCc1noc2ncnc(Cl)c12 21779237 343075541 /nfs/dbraw/zinc/07/55/41/343075541.db2.gz YHSDXFZNFDMMFQ-UHFFFAOYSA-N 0 0 183.598 1.834 10 0 ADAERN CCn1c(N(C)C)n[nH]c1=S 21949279 343075578 /nfs/dbraw/zinc/07/55/78/343075578.db2.gz KWLWLLURFSHVFP-UHFFFAOYSA-N 0 0 172.257 1.027 10 0 ADAERN Cc1nn(CC(C)C)c2[nH]nc(N)c12 21948850 343075605 /nfs/dbraw/zinc/07/56/05/343075605.db2.gz VRCREJZMBTYVNE-UHFFFAOYSA-N 0 0 193.254 1.306 10 0 ADAERN CCc1csc2nc(C)cc(=O)n12 21663343 343075809 /nfs/dbraw/zinc/07/58/09/343075809.db2.gz BCSXCKWOMUNNPJ-UHFFFAOYSA-N 0 0 194.259 1.627 10 0 ADAERN Cc1nc(N)sc1[C@@H](C)O 21952223 343075977 /nfs/dbraw/zinc/07/59/77/343075977.db2.gz ZCIFMUFWEXYHSO-SCSAIBSYSA-N 0 0 158.226 1.087 10 0 ADAERN CC[C@H](O)c1ccccc1O 21952783 343075981 /nfs/dbraw/zinc/07/59/81/343075981.db2.gz QWZBWROUTWGTDT-QMMMGPOBSA-N 0 0 152.193 1.836 10 0 ADAERN Cc1cc(-c2nnc(CO)o2)c(C)o1 21952518 343075990 /nfs/dbraw/zinc/07/59/90/343075990.db2.gz WIDKMLSIHIYWBC-UHFFFAOYSA-N 0 0 194.190 1.439 10 0 ADAERN C[C@H](O)c1cc(O)ccc1O 21952516 343076043 /nfs/dbraw/zinc/07/60/43/343076043.db2.gz DXJSSTKBEDNPQB-YFKPBYRVSA-N 0 0 154.165 1.151 10 0 ADAERN C[C@H](O)C[C@H](O)c1ccccc1 21952161 343076054 /nfs/dbraw/zinc/07/60/54/343076054.db2.gz QTYZWFQTOYXFBL-WPRPVWTQSA-N 0 0 166.220 1.491 10 0 ADAERN CC[C@@H](O)c1ccccc1O 21952781 343076163 /nfs/dbraw/zinc/07/61/63/343076163.db2.gz QWZBWROUTWGTDT-MRVPVSSYSA-N 0 0 152.193 1.836 10 0 ADAERN CCn1c(N2CCCC2)n[nH]c1=S 21949913 343076173 /nfs/dbraw/zinc/07/61/73/343076173.db2.gz XEPDVXDWMKBJIH-UHFFFAOYSA-N 0 0 198.295 1.561 10 0 ADAERN CCCNC(=O)c1cccc(C)c1N 21962938 343076280 /nfs/dbraw/zinc/07/62/80/343076280.db2.gz IXSPIBHXCGBTAK-UHFFFAOYSA-N 0 0 192.262 1.717 10 0 ADAERN Cc1cc(N)ccc1NC(N)=O 21963781 343076285 /nfs/dbraw/zinc/07/62/85/343076285.db2.gz FPUYYCRDWJUHNO-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN Cc1c(N)cccc1NC(N)=O 21953849 343076581 /nfs/dbraw/zinc/07/65/81/343076581.db2.gz SBHKSGRHPJVTIZ-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN Cc1ccc(N)cc1NC(N)=O 21954886 343076662 /nfs/dbraw/zinc/07/66/62/343076662.db2.gz ULCDMPMXVYMHMK-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN CC[C@@H](O)c1cccnc1N 21985761 343076929 /nfs/dbraw/zinc/07/69/29/343076929.db2.gz RWGQOCKOYGTNMB-SSDOTTSWSA-N 0 0 152.197 1.107 10 0 ADAERN CC[C@H](O)c1cccnc1N 21985763 343076933 /nfs/dbraw/zinc/07/69/33/343076933.db2.gz RWGQOCKOYGTNMB-ZETCQYMHSA-N 0 0 152.197 1.107 10 0 ADAERN Cc1nc(C(C)C)c[nH]1 21984349 343076938 /nfs/dbraw/zinc/07/69/38/343076938.db2.gz FWNOUILZZKVNQJ-UHFFFAOYSA-N 0 0 124.187 1.842 10 0 ADAERN CN1Cc2ccccc2C=N1 21995258 343077216 /nfs/dbraw/zinc/07/72/16/343077216.db2.gz YISKQGXPHIESAR-UHFFFAOYSA-N 0 0 146.193 1.466 10 0 ADAERN CCC(CC)[C@@H]1CNC(=O)C1 21988601 343077224 /nfs/dbraw/zinc/07/72/24/343077224.db2.gz IRPATAPLXFGGCZ-QMMMGPOBSA-N 0 0 155.241 1.559 10 0 ADAERN Cc1cn(C=O)c2ccccc12 21990029 343077228 /nfs/dbraw/zinc/07/72/28/343077228.db2.gz DBKHQXREXKIITE-UHFFFAOYSA-N 0 0 159.188 1.988 10 0 ADAERN Cc1cc(=O)[nH]n1-c1ccccc1N 21988842 343077256 /nfs/dbraw/zinc/07/72/56/343077256.db2.gz ZYYFFDQAAXDVJF-UHFFFAOYSA-N 0 0 189.218 1.056 10 0 ADAERN CCc1cc(C)cc(=O)o1 22005002 343077660 /nfs/dbraw/zinc/07/76/60/343077660.db2.gz OOJGOOZLZPDSGU-UHFFFAOYSA-N 0 0 138.166 1.511 10 0 ADAERN CC1=C(C)NC(=O)CC1 22005410 343077676 /nfs/dbraw/zinc/07/76/76/343077676.db2.gz RPWVPILCFCWEBP-UHFFFAOYSA-N 0 0 125.171 1.190 10 0 ADAERN CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC=O 22006335 343077810 /nfs/dbraw/zinc/07/78/10/343077810.db2.gz LCCSEGCDUBRRFL-WCABBAIRSA-N 0 0 181.279 1.947 10 0 in-vitro ADAERN C/C=C/OCC1CC1 33840695 343107066 /nfs/dbraw/zinc/10/70/66/343107066.db2.gz QBTKUGNHTHTLOA-GORDUTHDSA-N 0 0 112.172 1.947 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1C(N)=O 22165951 343079658 /nfs/dbraw/zinc/07/96/58/343079658.db2.gz DEOJRJKNSVFSLX-KNVOCYPGSA-N 0 0 156.229 1.328 10 0 ADAERN C[C@H]1CCC[C@H](C)N1C(N)=O 22165956 343079848 /nfs/dbraw/zinc/07/98/48/343079848.db2.gz DEOJRJKNSVFSLX-BQBZGAKWSA-N 0 0 156.229 1.328 10 0 ADAERN Cc1cccc(N)c1C(=O)NC(C)C 22173282 343080384 /nfs/dbraw/zinc/08/03/84/343080384.db2.gz SMLUFIMAWSRALY-UHFFFAOYSA-N 0 0 192.262 1.715 10 0 ADAERN Cc1nc2ccccn2c1C(N)=S 22214673 343080558 /nfs/dbraw/zinc/08/05/58/343080558.db2.gz QQECBFHOBAECSJ-UHFFFAOYSA-N 0 0 191.259 1.277 10 0 ADAERN CC(C)N(C)c1ccc(N)cn1 22221656 343081194 /nfs/dbraw/zinc/08/11/94/343081194.db2.gz KKMQCVSDTIYINP-UHFFFAOYSA-N 0 0 165.240 1.508 10 0 ADAERN Cc1cccc(N)c1C(=O)N(C)C 22219125 343081200 /nfs/dbraw/zinc/08/12/00/343081200.db2.gz CRMZZOCWFNUCMZ-UHFFFAOYSA-N 0 0 178.235 1.279 10 0 ADAERN CC1CCC(NC(N)=O)CC1 22222455 343081326 /nfs/dbraw/zinc/08/13/26/343081326.db2.gz WOVKHESNZTTXME-UHFFFAOYSA-N 0 0 156.229 1.233 10 0 ADAERN CC(C)N(C)c1ncccc1N 22222346 343081418 /nfs/dbraw/zinc/08/14/18/343081418.db2.gz XKORTQXKRTURPJ-UHFFFAOYSA-N 0 0 165.240 1.508 10 0 ADAERN Cc1ccc(F)cc1NC(N)=O 22223700 343081421 /nfs/dbraw/zinc/08/14/21/343081421.db2.gz BTLVXYHFEUINSD-UHFFFAOYSA-N 0 0 168.171 1.625 10 0 ADAERN C[C@H]([NH3+])c1ccc(C(=O)[O-])s1 22862518 343082459 /nfs/dbraw/zinc/08/24/59/343082459.db2.gz PZSVHZMRCSAKTF-BYPYZUCNSA-N 0 0 171.221 1.466 10 0 ADAERN CCCCn1ccnc1CO 22861467 343082469 /nfs/dbraw/zinc/08/24/69/343082469.db2.gz AOPMHPFNYCNHJU-UHFFFAOYSA-N 0 0 154.213 1.176 10 0 ADAERN CC[C@@H](O)COC(C)(C)C 36466209 343146323 /nfs/dbraw/zinc/14/63/23/343146323.db2.gz QTXZTRIEQIRTAK-SSDOTTSWSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H]1CCC[C@@]1(O)C1CC1 23798236 343084051 /nfs/dbraw/zinc/08/40/51/343084051.db2.gz OLKDLZVVVKCNLT-CBAPKCEASA-N 0 0 140.226 1.948 10 0 ADAERN O=C1COC[C@@H]1C1CCC1 23902769 343084946 /nfs/dbraw/zinc/08/49/46/343084946.db2.gz IKFZRHXTDWLJKE-SSDOTTSWSA-N 0 0 140.182 1.002 10 0 ADAERN O=C1COC[C@H]1C1CCC1 23902771 343084954 /nfs/dbraw/zinc/08/49/54/343084954.db2.gz IKFZRHXTDWLJKE-ZETCQYMHSA-N 0 0 140.182 1.002 10 0 ADAERN OC[C@@H]1CO[C@H]2CCCC[C@H]21 24055733 343085352 /nfs/dbraw/zinc/08/53/52/343085352.db2.gz NPVLWPRTDLMYKW-VGMNWLOBSA-N 0 0 156.225 1.184 10 0 ADAERN OC[C@@H]1CO[C@@H]2CCCC[C@@H]12 24055729 343085355 /nfs/dbraw/zinc/08/53/55/343085355.db2.gz NPVLWPRTDLMYKW-HRDYMLBCSA-N 0 0 156.225 1.184 10 0 ADAERN C1=Cc2cccnc2OC1 24190832 343085511 /nfs/dbraw/zinc/08/55/11/343085511.db2.gz CTNGDWICKTYOND-UHFFFAOYSA-N 0 0 133.150 1.487 10 0 ADAERN CCn1ccn2nccc12 24342528 343085732 /nfs/dbraw/zinc/08/57/32/343085732.db2.gz CHCHCOFWQWRQLQ-UHFFFAOYSA-N 0 0 135.170 1.156 10 0 ADAERN CC[C@@H]1CCc2nccnc21 24317540 343085757 /nfs/dbraw/zinc/08/57/57/343085757.db2.gz YYNBADKNRLCDCG-SSDOTTSWSA-N 0 0 148.209 1.916 10 0 ADAERN CCn1cnc2cccnc21 24409667 343085769 /nfs/dbraw/zinc/08/57/69/343085769.db2.gz NTHXFRPJQJYKDF-UHFFFAOYSA-N 0 0 147.181 1.451 10 0 ADAERN Cc1nncc2cnccc12 24602339 343085802 /nfs/dbraw/zinc/08/58/02/343085802.db2.gz DBARNKZTBDJNMI-UHFFFAOYSA-N 0 0 145.165 1.333 10 0 ADAERN Fc1ccnc2c1NCCN2 24620028 343085813 /nfs/dbraw/zinc/08/58/13/343085813.db2.gz UMWTTXNNSJFCFT-UHFFFAOYSA-N 0 0 153.160 1.058 10 0 ADAERN Cc1ncnc2ncccc12 24602489 343085861 /nfs/dbraw/zinc/08/58/61/343085861.db2.gz YYQNPTVEZIUEDK-UHFFFAOYSA-N 0 0 145.165 1.333 10 0 ADAERN Cc1ncnc2cccnc12 24602648 343085888 /nfs/dbraw/zinc/08/58/88/343085888.db2.gz ZMENDMAMYVBZMD-UHFFFAOYSA-N 0 0 145.165 1.333 10 0 ADAERN CCc1cnc2ccccn12 24550510 343085919 /nfs/dbraw/zinc/08/59/19/343085919.db2.gz LPCQSZCHIZUBED-UHFFFAOYSA-N 0 0 146.193 1.897 10 0 ADAERN Cc1nncc2ccccc12 24602336 343085947 /nfs/dbraw/zinc/08/59/47/343085947.db2.gz VXDPPGNAYZJZPM-UHFFFAOYSA-N 0 0 144.177 1.938 10 0 in-vitro ADAERN Cc1ccnc2c1OCCN2 24620120 343085953 /nfs/dbraw/zinc/08/59/53/343085953.db2.gz NYIDKPULWNVNGP-UHFFFAOYSA-N 0 0 150.181 1.194 10 0 ADAERN NN=c1[nH]oc2ccccc12 24327942 343085976 /nfs/dbraw/zinc/08/59/76/343085976.db2.gz UEKBLJFFBJIMBT-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN CCn1cnc2cnccc21 24409625 343086000 /nfs/dbraw/zinc/08/60/00/343086000.db2.gz PHSCKURJDFJLNR-UHFFFAOYSA-N 0 0 147.181 1.451 10 0 ADAERN CC[C@H]1CCc2nccnc21 24317546 343086083 /nfs/dbraw/zinc/08/60/83/343086083.db2.gz YYNBADKNRLCDCG-ZETCQYMHSA-N 0 0 148.209 1.916 10 0 ADAERN CCc1cnc2cnccn12 24550525 343086125 /nfs/dbraw/zinc/08/61/25/343086125.db2.gz IUYDIXACKXBYAI-UHFFFAOYSA-N 0 0 147.181 1.292 10 0 ADAERN COc1ccc([C@@H](C)O)c(O)c1 24863343 343086252 /nfs/dbraw/zinc/08/62/52/343086252.db2.gz DDPVIZAUPGMSPP-ZCFIWIBFSA-N 0 0 168.192 1.454 10 0 ADAERN OCc1coc2c1CCCC2 24771563 343086254 /nfs/dbraw/zinc/08/62/54/343086254.db2.gz WCWOVAAIPUTECP-UHFFFAOYSA-N 0 0 152.193 1.651 10 0 ADAERN CCc1c[nH]c2ncncc12 24729935 343086340 /nfs/dbraw/zinc/08/63/40/343086340.db2.gz YNNMZEFRJKNDNH-UHFFFAOYSA-N 0 0 147.181 1.520 10 0 ADAERN Cc1cccc2c1NCCN2 24625789 343086362 /nfs/dbraw/zinc/08/63/62/343086362.db2.gz BASZRPQRVXBLEA-UHFFFAOYSA-N 0 0 148.209 1.832 10 0 ADAERN CCNc1ncnc(NC(C)C)n1 25488970 343086403 /nfs/dbraw/zinc/08/64/03/343086403.db2.gz DWWKJVDRGAIXJI-UHFFFAOYSA-N 0 0 181.243 1.124 10 0 ADAERN Fc1nncc2ccccc12 24631456 343086410 /nfs/dbraw/zinc/08/64/10/343086410.db2.gz CGXZZPNBRFWNNK-UHFFFAOYSA-N 0 0 148.140 1.769 10 0 ADAERN COc1ccc([C@H](C)O)c(O)c1 24863347 343086463 /nfs/dbraw/zinc/08/64/63/343086463.db2.gz DDPVIZAUPGMSPP-LURJTMIESA-N 0 0 168.192 1.454 10 0 ADAERN OCc1occ2c1CCCC2 24730892 343086518 /nfs/dbraw/zinc/08/65/18/343086518.db2.gz GTVVTBIRZFPIJG-UHFFFAOYSA-N 0 0 152.193 1.651 10 0 ADAERN COc1c[nH]c2ncccc12 24730248 343086539 /nfs/dbraw/zinc/08/65/39/343086539.db2.gz MVZPIMUUCGYVFU-UHFFFAOYSA-N 0 0 148.165 1.572 10 0 ADAERN Cc1ncnc2c1CCCC2 24625219 343086549 /nfs/dbraw/zinc/08/65/49/343086549.db2.gz BEMZWSZJDPWKBU-UHFFFAOYSA-N 0 0 148.209 1.664 10 0 ADAERN Fc1nccc2c1NCCN2 24625861 343086608 /nfs/dbraw/zinc/08/66/08/343086608.db2.gz ZSASMNMJRAZXJM-UHFFFAOYSA-N 0 0 153.160 1.058 10 0 ADAERN Cc1ccnc2c1NCCO2 24626111 343086639 /nfs/dbraw/zinc/08/66/39/343086639.db2.gz WKSOTFJUMBKIPY-UHFFFAOYSA-N 0 0 150.181 1.194 10 0 ADAERN Fc1ncnc2c1CCCC2 24625233 343086665 /nfs/dbraw/zinc/08/66/65/343086665.db2.gz YGNMYLCGNLXUPT-UHFFFAOYSA-N 0 0 152.172 1.495 10 0 ADAERN CCC[C@@H]1CC[C@H](O)[C@@H](O)C1 25695809 343086920 /nfs/dbraw/zinc/08/69/20/343086920.db2.gz JQUWFAAJCDOHAO-VGMNWLOBSA-N 0 0 158.241 1.308 10 0 ADAERN CCc1c(OC)nc(OC)nc1OC 25491457 343087068 /nfs/dbraw/zinc/08/70/68/343087068.db2.gz OCGWHRXCMGLYCL-UHFFFAOYSA-N 0 0 198.222 1.065 10 0 ADAERN CCC[C@@H]1CC[C@@H](O)[C@@H](O)C1 25695803 343087119 /nfs/dbraw/zinc/08/71/19/343087119.db2.gz JQUWFAAJCDOHAO-HLTSFMKQSA-N 0 0 158.241 1.308 10 0 ADAERN Cc1nc[nH]c(=S)c1C 25491531 343087175 /nfs/dbraw/zinc/08/71/75/343087175.db2.gz YKTMRGKTUGDAIE-UHFFFAOYSA-N 0 0 140.211 1.756 10 0 ADAERN Cc1ccn2ccncc12 26049135 343087269 /nfs/dbraw/zinc/08/72/69/343087269.db2.gz GIERUSFNRCQSBR-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN Fc1c[nH]c2cccnc12 26059943 343087317 /nfs/dbraw/zinc/08/73/17/343087317.db2.gz PSYGTSZQFYLWFJ-UHFFFAOYSA-N 0 0 136.129 1.702 10 0 ADAERN Cc1cnn2ccccc12 26049604 343087345 /nfs/dbraw/zinc/08/73/45/343087345.db2.gz KLSKDQANNFRWGT-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN C[C@H]1OCc2ccncc21 25921243 343087350 /nfs/dbraw/zinc/08/73/50/343087350.db2.gz RVMWPAFOLDUOTH-ZCFIWIBFSA-N 0 0 135.166 1.673 10 0 ADAERN Cc1ccc2ccncn12 26041958 343087410 /nfs/dbraw/zinc/08/74/10/343087410.db2.gz ZEZSJXSDEDEHFR-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN CN1CCc2cccnc21 25923078 343087411 /nfs/dbraw/zinc/08/74/11/343087411.db2.gz XYLVEBCGEOVYAE-UHFFFAOYSA-N 0 0 134.182 1.074 10 0 ADAERN Fc1cnc2cc[nH]cc1-2 26059915 343087578 /nfs/dbraw/zinc/08/75/78/343087578.db2.gz KUOOMFWUWYNGCW-UHFFFAOYSA-N 0 0 136.129 1.702 10 0 ADAERN CCC(CC)C1N=NC(=S)N1 26472900 343088758 /nfs/dbraw/zinc/08/87/58/343088758.db2.gz YHRZQXWCHVNDEJ-UHFFFAOYSA-N 0 0 171.269 1.997 10 0 ADAERN CCc1nc2cc[nH]cc-2n1 26439583 343087815 /nfs/dbraw/zinc/08/78/15/343087815.db2.gz OGAVLUMPEJJADN-UHFFFAOYSA-N 0 0 147.181 1.520 10 0 ADAERN Cc1cc(N)ncc1C(F)(F)F 26460004 343088273 /nfs/dbraw/zinc/08/82/73/343088273.db2.gz PSNRCHPRCQXPHC-UHFFFAOYSA-N 0 0 176.141 1.991 10 0 ADAERN Cc1ccnc2c(C=O)c[nH]c12 26460283 343088343 /nfs/dbraw/zinc/08/83/43/343088343.db2.gz LJEMMOFUJRZGCF-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN Cc1cc(C)c2nc(N)ccc2n1 26459268 343088435 /nfs/dbraw/zinc/08/84/35/343088435.db2.gz FIDMFQOGSLMKLN-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN CCCCCn1ccnc1C=O 26474004 343088635 /nfs/dbraw/zinc/08/86/35/343088635.db2.gz SRFVESVVALMLLF-UHFFFAOYSA-N 0 0 166.224 1.886 10 0 ADAERN CCc1c(-c2ccccn2)noc1N 26512659 343089129 /nfs/dbraw/zinc/08/91/29/343089129.db2.gz NJCFZNHIDYWUCJ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN Cc1nn(-c2ccccn2)c(N)c1C 26512208 343089247 /nfs/dbraw/zinc/08/92/47/343089247.db2.gz VGTWNBGWCKGNCS-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCc1c(-c2ccncc2)noc1N 26512702 343089262 /nfs/dbraw/zinc/08/92/62/343089262.db2.gz KCLHCARUWRAWLB-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN Cc1c(C(F)(F)F)noc1N 26512550 343089326 /nfs/dbraw/zinc/08/93/26/343089326.db2.gz DNKDKKIGFFDVEY-UHFFFAOYSA-N 0 0 166.102 1.584 10 0 ADAERN Cc1c(-c2ccco2)noc1N 26512606 343089359 /nfs/dbraw/zinc/08/93/59/343089359.db2.gz WOGPTZXCBIJIID-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cc1ccc(C2N=NC(=S)O2)o1 26516076 343089616 /nfs/dbraw/zinc/08/96/16/343089616.db2.gz LRLALUOBVNHBIT-UHFFFAOYSA-N 0 0 182.204 1.927 10 0 ADAERN CCn1cc(-c2cc(CO)no2)cn1 26545407 343089715 /nfs/dbraw/zinc/08/97/15/343089715.db2.gz AJEJYIIMSUGVHC-UHFFFAOYSA-N 0 0 193.206 1.050 10 0 ADAERN Cc1c(C2N=NC(=S)O2)cnn1C 26516621 343089782 /nfs/dbraw/zinc/08/97/82/343089782.db2.gz DQBNLBYAKYXYCX-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN Cc1cnn([C@H](C)C(C)C)c1N 26515709 343089792 /nfs/dbraw/zinc/08/97/92/343089792.db2.gz FOIMFQNLSPQCAO-MRVPVSSYSA-N 0 0 167.256 1.991 10 0 ADAERN CC(C)n1cc([C@H](C)O)cn1 26546758 343089859 /nfs/dbraw/zinc/08/98/59/343089859.db2.gz YBUMCXWPWYYQFA-ZETCQYMHSA-N 0 0 154.213 1.517 10 0 ADAERN CC(C)n1cc([C@@H](C)O)cn1 26546753 343089945 /nfs/dbraw/zinc/08/99/45/343089945.db2.gz YBUMCXWPWYYQFA-SSDOTTSWSA-N 0 0 154.213 1.517 10 0 ADAERN CC[C@@H](O)c1cnn(C(C)C)c1 26546901 343089953 /nfs/dbraw/zinc/08/99/53/343089953.db2.gz XZZAEDQWKDUROS-SECBINFHSA-N 0 0 168.240 1.907 10 0 ADAERN CCC(=O)c1cnn(C)c1CC 26545685 343089991 /nfs/dbraw/zinc/08/99/91/343089991.db2.gz QNKYYCJUQGIXKG-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN Cc1[nH]c2nc[nH]c(=O)c2c1C 26671743 343090339 /nfs/dbraw/zinc/09/03/39/343090339.db2.gz WDLIZNULNYTMOG-UHFFFAOYSA-N 0 0 163.180 1.280 10 0 ADAERN Cc1nc(N)c2c(C)c(C)[nH]c2n1 26719849 343090269 /nfs/dbraw/zinc/09/02/69/343090269.db2.gz ABYSHPMNLZCWGY-UHFFFAOYSA-N 0 0 176.223 1.465 10 0 ADAERN Cc1noc(C)c1[C@@H](C)O 26547935 343090302 /nfs/dbraw/zinc/09/03/02/343090302.db2.gz ZCMHAPJUDDYKOZ-RXMQYKEDSA-N 0 0 141.170 1.345 10 0 ADAERN Cc1cc(C2N=NC(=S)O2)no1 26548865 343090322 /nfs/dbraw/zinc/09/03/22/343090322.db2.gz QUKBDFDIMGLSME-UHFFFAOYSA-N 0 0 183.192 1.322 10 0 ADAERN Cc1cc(C2N=NC(=S)O2)n(C)n1 26548670 343090362 /nfs/dbraw/zinc/09/03/62/343090362.db2.gz BDHHEEDLHGTAKJ-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN Cc1cc(C)n2cc(C)nc2n1 27093578 343090895 /nfs/dbraw/zinc/09/08/95/343090895.db2.gz MRDBSIJSYBNWLE-UHFFFAOYSA-N 0 0 161.208 1.655 10 0 ADAERN Cc1cc(=O)c2c(O)ccc(O)c2o1 27216203 343091069 /nfs/dbraw/zinc/09/10/69/343091069.db2.gz DZNDULZELVTJGJ-UHFFFAOYSA-N 0 0 192.170 1.513 10 0 ADAERN Cc1[nH]nc2c1[C@H](O)CC(C)(C)C2 27666370 343091076 /nfs/dbraw/zinc/09/10/76/343091076.db2.gz GBXIUCRUYNBLER-MRVPVSSYSA-N 0 0 180.251 1.724 10 0 ADAERN Cc1[nH]nc2c1[C@@H](O)CC(C)(C)C2 27666372 343091101 /nfs/dbraw/zinc/09/11/01/343091101.db2.gz GBXIUCRUYNBLER-QMMMGPOBSA-N 0 0 180.251 1.724 10 0 ADAERN Cc1nc2c(C)cccc2c(=O)o1 27546463 343091172 /nfs/dbraw/zinc/09/11/72/343091172.db2.gz UPESZMKSJCDUGY-UHFFFAOYSA-N 0 0 175.187 1.805 10 0 ADAERN Cc1cn(Cc2ccccc2)c(=O)[nH]1 27706038 343091397 /nfs/dbraw/zinc/09/13/97/343091397.db2.gz CFMLNEMAKRUZHL-UHFFFAOYSA-N 0 0 188.230 1.533 10 0 ADAERN CCn1nc(C)cc1NC(=O)C1CC1 28573541 343091757 /nfs/dbraw/zinc/09/17/57/343091757.db2.gz PTTBDSJIGOZXOI-UHFFFAOYSA-N 0 0 193.250 1.560 10 0 ADAERN CCCCn1cccc(O)c1=O 29462819 343092353 /nfs/dbraw/zinc/09/23/53/343092353.db2.gz LQQCVHOXXXWSIC-UHFFFAOYSA-N 0 0 167.208 1.354 10 0 ADAERN CCCN(N)c1nc2ccccc2o1 29409991 343092376 /nfs/dbraw/zinc/09/23/76/343092376.db2.gz DGDUAVPQWGBDFW-UHFFFAOYSA-N 0 0 191.234 1.918 10 0 ADAERN CC(C)n1cccc(O)c1=O 29470745 343092389 /nfs/dbraw/zinc/09/23/89/343092389.db2.gz DFGCPRLUZRLIOL-UHFFFAOYSA-N 0 0 153.181 1.135 10 0 ADAERN Cc1cccc(N2CCC(=O)N2)c1 28765319 343092449 /nfs/dbraw/zinc/09/24/49/343092449.db2.gz BWVQIBKUGHYXLO-UHFFFAOYSA-N 0 0 176.219 1.236 10 0 ADAERN CC1=N[C@H](C)S[C@@H]1C 31500674 343093196 /nfs/dbraw/zinc/09/31/96/343093196.db2.gz AIVVNNYXOSPRCW-RITPCOANSA-N 0 0 129.228 1.929 10 0 endogenous,in-man ADAERN CC1=N[C@H](C)S[C@H]1C 31500668 343093226 /nfs/dbraw/zinc/09/32/26/343093226.db2.gz AIVVNNYXOSPRCW-WDSKDSINSA-N 0 0 129.228 1.929 10 0 endogenous,in-man ADAERN CC1=N[C@@H](C)S[C@H]1C 31500671 343093260 /nfs/dbraw/zinc/09/32/60/343093260.db2.gz AIVVNNYXOSPRCW-NTSWFWBYSA-N 0 0 129.228 1.929 10 0 endogenous,in-man ADAERN CC1=N[C@@H](C)S[C@@H]1C 31500678 343093300 /nfs/dbraw/zinc/09/33/00/343093300.db2.gz AIVVNNYXOSPRCW-PHDIDXHHSA-N 0 0 129.228 1.929 10 0 endogenous,in-man ADAERN C=CC(=O)OC/C=C\C 31332445 343093303 /nfs/dbraw/zinc/09/33/03/343093303.db2.gz COXYCFKHVQFUPA-HYXAFXHYSA-N 0 0 126.155 1.292 10 0 ADAERN O=C(OCCO)C1CCCCC1 31317790 343093406 /nfs/dbraw/zinc/09/34/06/343093406.db2.gz HNBNKZUJQWPLIO-UHFFFAOYSA-N 0 0 172.224 1.102 10 0 ADAERN OCCSCCc1ccccc1 31623261 343093666 /nfs/dbraw/zinc/09/36/66/343093666.db2.gz KGZHEXGRHGYQNI-UHFFFAOYSA-N 0 0 182.288 1.955 10 0 ADAERN CCC/C(C)=C\CO 31880056 343094143 /nfs/dbraw/zinc/09/41/43/343094143.db2.gz CKWCTBJSFBLMOH-ALCCZGGFSA-N 0 0 114.188 1.725 10 0 ADAERN CCCC/C=C\C(=O)OC 31739898 343094391 /nfs/dbraw/zinc/09/43/91/343094391.db2.gz IQQDLHGWGKEQDS-SREVYHEPSA-N 0 0 142.198 1.906 10 0 ADAERN CN(C)c1ccnc2n[nH]cc12 31729963 343094421 /nfs/dbraw/zinc/09/44/21/343094421.db2.gz JECLNPXVUZPJSJ-UHFFFAOYSA-N 0 0 162.196 1.024 10 0 ADAERN CC(C)[C@H](O)c1ccco1 32005440 343095115 /nfs/dbraw/zinc/09/51/15/343095115.db2.gz AMJAQOYPKCBMMP-QMMMGPOBSA-N 0 0 140.182 1.969 10 0 ADAERN CN(C)c1ccc(F)c(N)c1 32005752 343095258 /nfs/dbraw/zinc/09/52/58/343095258.db2.gz QJCJGFWDPGXSAF-UHFFFAOYSA-N 0 0 154.188 1.474 10 0 ADAERN Cc1ccc2c(c1C)NC(=O)C2 32006007 343095266 /nfs/dbraw/zinc/09/52/66/343095266.db2.gz GNGYZTBLXBPLAS-UHFFFAOYSA-N 0 0 161.204 1.798 10 0 ADAERN CC(C)[C@@H](O)c1ccco1 32005437 343095402 /nfs/dbraw/zinc/09/54/02/343095402.db2.gz AMJAQOYPKCBMMP-MRVPVSSYSA-N 0 0 140.182 1.969 10 0 ADAERN Cc1cc(-c2cccc(N)c2)n(C)n1 32007989 343096276 /nfs/dbraw/zinc/09/62/76/343096276.db2.gz FBCOVVNWIPHUDW-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1nnc(-c2cccc(N)c2C)o1 32008166 343096365 /nfs/dbraw/zinc/09/63/65/343096365.db2.gz ADKGIIBLLKNCCX-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1nnc(-c2ccc(N)c(C)c2)o1 32008168 343096487 /nfs/dbraw/zinc/09/64/87/343096487.db2.gz YPESMDZYPGZEEI-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CCC(=O)N[C@H](C)c1ccc(N)cc1 32008578 343096701 /nfs/dbraw/zinc/09/67/01/343096701.db2.gz FZSBXDUMDMTJMV-MRVPVSSYSA-N 0 0 192.262 1.856 10 0 ADAERN CCC(=O)N[C@@H](C)c1ccc(N)cc1 32008576 343096942 /nfs/dbraw/zinc/09/69/42/343096942.db2.gz FZSBXDUMDMTJMV-QMMMGPOBSA-N 0 0 192.262 1.856 10 0 ADAERN CC1=C[C@@H]2[C@H](C[C@@H]1O)C2(C)C 32153128 343098740 /nfs/dbraw/zinc/09/87/40/343098740.db2.gz XCIZLAMMPDJKRZ-VGMNWLOBSA-N 0 0 152.237 1.970 10 0 ADAERN C/C=C1\N=C(c2ccccc2)OC1=O 32011200 343097229 /nfs/dbraw/zinc/09/72/29/343097229.db2.gz HEGNHTODZSHTKS-MBXJOHMKSA-N 0 0 187.198 1.894 10 0 ADAERN OC/C=C\c1cc(F)cc(F)c1 32098755 343097274 /nfs/dbraw/zinc/09/72/74/343097274.db2.gz LTGHGWDPLZTILW-UPHRSURJSA-N 0 0 170.158 1.970 10 0 ADAERN CC(=O)N(Cc1ccccc1)C(C)=O 32133042 343097765 /nfs/dbraw/zinc/09/77/65/343097765.db2.gz QLJVKURELUECPZ-UHFFFAOYSA-N 0 0 191.230 1.582 10 0 in-vitro ADAERN CC1CN(C2CCCCC2)C(=O)C1=O 32106104 343097779 /nfs/dbraw/zinc/09/77/79/343097779.db2.gz LFUIIJHFTPIHHY-UHFFFAOYSA-N 0 0 195.262 1.993 10 0 ADAERN CN(N)c1ccc(Cl)cc1 32105957 343097784 /nfs/dbraw/zinc/09/77/84/343097784.db2.gz RRNWXJAWRPITPU-UHFFFAOYSA-N 0 0 156.616 1.650 10 0 ADAERN Cc1ccc2nccc(NN)c2c1 32099465 343097808 /nfs/dbraw/zinc/09/78/08/343097808.db2.gz KRFGSMKAZRUGKP-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN O[C@@H]1CC[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]12 32105372 343097832 /nfs/dbraw/zinc/09/78/32/343097832.db2.gz ZJXDTPDTKHSVBH-JDDHQFAOSA-N 0 0 152.237 1.803 10 0 ADAERN Cc1ccn(C)c2cc(=O)ccc1-2 32106852 343097878 /nfs/dbraw/zinc/09/78/78/343097878.db2.gz FDOYABNXSLNKBK-UHFFFAOYSA-N 0 0 173.215 1.799 10 0 ADAERN Cc1ccc(C=O)c(C=O)c1 32141512 343098150 /nfs/dbraw/zinc/09/81/50/343098150.db2.gz NPPHAHFPMPOLDX-UHFFFAOYSA-N 0 0 148.161 1.620 10 0 ADAERN CSc1cnn(C)c(=O)c1Cl 32142260 343098152 /nfs/dbraw/zinc/09/81/52/343098152.db2.gz RQJWWUQOORBANG-UHFFFAOYSA-N 0 0 190.655 1.156 10 0 ADAERN COc1cccc(CCCO)n1 32149013 343098169 /nfs/dbraw/zinc/09/81/69/343098169.db2.gz WVDIIUQXKOWSSO-UHFFFAOYSA-N 0 0 167.208 1.015 10 0 ADAERN Cc1nn(C)c(C)c1C 32148897 343098175 /nfs/dbraw/zinc/09/81/75/343098175.db2.gz DUAZFYUNWBILMU-UHFFFAOYSA-N 0 0 124.187 1.345 10 0 ADAERN COC(=O)[C@H]1N=CSC1(C)C 32136805 343098310 /nfs/dbraw/zinc/09/83/10/343098310.db2.gz VWQLRNGOMMVLHQ-RXMQYKEDSA-N 0 0 173.237 1.082 10 0 ADAERN Clc1c[nH]nc1Cl 32149927 343098560 /nfs/dbraw/zinc/09/85/60/343098560.db2.gz CHUPRLGXGZETTE-UHFFFAOYSA-N 0 0 136.969 1.717 10 0 ADAERN CC(C)Cc1cc(=O)[nH][nH]1 32152612 343098589 /nfs/dbraw/zinc/09/85/89/343098589.db2.gz WSAUOTVMPMIWCC-UHFFFAOYSA-N 0 0 140.186 1.314 10 0 ADAERN CC1CCC(N2CCNC2=O)CC1 32151803 343098622 /nfs/dbraw/zinc/09/86/22/343098622.db2.gz PBBDLNNESWHCGD-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN CC1=C[C@H]2[C@@H](C[C@@H]1O)C2(C)C 32153123 343098643 /nfs/dbraw/zinc/09/86/43/343098643.db2.gz XCIZLAMMPDJKRZ-YIZRAAEISA-N 0 0 152.237 1.970 10 0 ADAERN CCCCCCOC(=O)[C@H](C)O 32150892 343098653 /nfs/dbraw/zinc/09/86/53/343098653.db2.gz KDPXOGYCOOUWOS-QMMMGPOBSA-N 0 0 174.240 1.491 10 0 ADAERN Cc1ncsc1[C@H](C)O 32156106 343098977 /nfs/dbraw/zinc/09/89/77/343098977.db2.gz NKLZSLYZLRJWOY-YFKPBYRVSA-N 0 0 143.211 1.505 10 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CCOC(=O)CCC(C)(OC)OC 32229987 343101874 /nfs/dbraw/zinc/10/18/74/343101874.db2.gz ZCZPJGYGVFVPLY-UHFFFAOYSA-N 0 0 190.239 1.339 10 0 ADAERN CC(=C=O)c1ccccc1 32297042 343101913 /nfs/dbraw/zinc/10/19/13/343101913.db2.gz APFRIPBQCVUZNP-UHFFFAOYSA-N 0 0 132.162 1.922 10 0 ADAERN CC(=O)C[C@@H](O)c1ccco1 32297340 343101915 /nfs/dbraw/zinc/10/19/15/343101915.db2.gz HMWQAFHFWNPRTN-SSDOTTSWSA-N 0 0 154.165 1.292 10 0 ADAERN C1=CC2(CCC1)OCCO2 32230792 343101935 /nfs/dbraw/zinc/10/19/35/343101935.db2.gz BUDISQPHJKMXOY-UHFFFAOYSA-N 0 0 140.182 1.470 10 0 ADAERN Cc1cccc2c1[C@H](O)OC2=O 32298144 343101950 /nfs/dbraw/zinc/10/19/50/343101950.db2.gz VZQKIRKYBKMSAZ-SECBINFHSA-N 0 0 164.160 1.156 10 0 ADAERN CCc1ccnc(F)c1 32298493 343101997 /nfs/dbraw/zinc/10/19/97/343101997.db2.gz ADUKLIOGUJGWMP-UHFFFAOYSA-N 0 0 125.146 1.783 10 0 ADAERN CC(C)Oc1cccc(NN)c1 32252384 343102008 /nfs/dbraw/zinc/10/20/08/343102008.db2.gz JCEGLZWFTKCIGH-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN C1CC[C@]2(CCCO2)OC1 32297139 343102048 /nfs/dbraw/zinc/10/20/48/343102048.db2.gz HZWQUQZFYLDNPC-QMMMGPOBSA-N 0 0 142.198 1.694 10 0 ADAERN O=C1C[C@H](c2cccc(Cl)c2)NN1 32233601 343102051 /nfs/dbraw/zinc/10/20/51/343102051.db2.gz XNQCPOKVJLURAJ-MRVPVSSYSA-N 0 0 196.637 1.406 10 0 ADAERN CCCC(=O)c1ccc[nH]1 32299307 343102055 /nfs/dbraw/zinc/10/20/55/343102055.db2.gz MVNPFTKBEVWVTR-UHFFFAOYSA-N 0 0 137.182 1.998 10 0 ADAERN O=C1C[C@@H](c2cccc(Cl)c2)NN1 32233599 343102061 /nfs/dbraw/zinc/10/20/61/343102061.db2.gz XNQCPOKVJLURAJ-QMMMGPOBSA-N 0 0 196.637 1.406 10 0 ADAERN O=C1COC2(CCCCC2)C1 32302867 343102179 /nfs/dbraw/zinc/10/21/79/343102179.db2.gz QKJGCCXTPSARKO-UHFFFAOYSA-N 0 0 154.209 1.679 10 0 ADAERN Cc1cc(O)cc(N)c1C 32303111 343102308 /nfs/dbraw/zinc/10/23/08/343102308.db2.gz BOAJMGPOMJTXHH-UHFFFAOYSA-N 0 0 137.182 1.591 10 0 ADAERN CCc1cc(C)cc(=O)[nH]1 32302721 343102347 /nfs/dbraw/zinc/10/23/47/343102347.db2.gz IQMOKWFVAOQTQE-UHFFFAOYSA-N 0 0 137.182 1.246 10 0 ADAERN COC(=O)C[C@H](C)CC(OC)OC 32302551 343102387 /nfs/dbraw/zinc/10/23/87/343102387.db2.gz MAIYVLTWZMNLIZ-ZETCQYMHSA-N 0 0 190.239 1.195 10 0 ADAERN Cc1ccc(N)c(C)c1N(C)C 32603331 343102634 /nfs/dbraw/zinc/10/26/34/343102634.db2.gz IOCBPRQPGJXUTC-UHFFFAOYSA-N 0 0 164.252 1.952 10 0 ADAERN CCc1cc(C(N)=O)ccc1F 32914691 343103781 /nfs/dbraw/zinc/10/37/81/343103781.db2.gz HJCCFLULVUJAPL-UHFFFAOYSA-N 0 0 167.183 1.487 10 0 ADAERN CN(C)c1ccc(N)c(O)c1 34087869 343110287 /nfs/dbraw/zinc/11/02/87/343110287.db2.gz LGXONQNQFVDTOL-UHFFFAOYSA-N 0 0 152.197 1.040 10 0 ADAERN CC(C)n1c(=O)ccc2c1cnn2C 33359138 343104232 /nfs/dbraw/zinc/10/42/32/343104232.db2.gz BYAKACJHEFKYHA-UHFFFAOYSA-N 0 0 191.234 1.316 10 0 ADAERN CNC(=O)/C=C\c1ccc(C)cc1 33329421 343104357 /nfs/dbraw/zinc/10/43/57/343104357.db2.gz IHKAXKHYYPDPML-FPLPWBNLSA-N 0 0 175.231 1.754 10 0 ADAERN CCCCC(=O)OCC 33374490 343104568 /nfs/dbraw/zinc/10/45/68/343104568.db2.gz KEUIZOOPCJFVDB-UHFFFAOYSA-N 0 0 129.179 1.554 10 0 ADAERN N#[N+]c1c([O-])c2ccccc2oc1=O 33377112 343104689 /nfs/dbraw/zinc/10/46/89/343104689.db2.gz DLDFKYQABFBCDR-UHFFFAOYSA-O 0 0 189.150 1.983 10 0 ADAERN C[C@H](Cc1ccccn1)N=O 33414070 343104811 /nfs/dbraw/zinc/10/48/11/343104811.db2.gz CPPSETZNQJBRDQ-SSDOTTSWSA-N 0 0 150.181 1.779 10 0 ADAERN CCc1ccc(/C=C/C(N)=O)cc1 33432733 343104946 /nfs/dbraw/zinc/10/49/46/343104946.db2.gz KMIVNLSJICJGAW-BQYQJAHWSA-N 0 0 175.231 1.748 10 0 ADAERN CCO[C@H](CO)c1ccccc1 33506323 343104966 /nfs/dbraw/zinc/10/49/66/343104966.db2.gz QISVRAXIZYUGJB-SNVBAGLBSA-N 0 0 166.220 1.757 10 0 ADAERN Cc1cc(C)c(C(N)=S)cn1 33487770 343104990 /nfs/dbraw/zinc/10/49/90/343104990.db2.gz YRESOMFQUAWELG-UHFFFAOYSA-N 0 0 166.249 1.333 10 0 ADAERN C[C@H](C(=O)c1ccccc1)[S@](C)=O 33505877 343105012 /nfs/dbraw/zinc/10/50/12/343105012.db2.gz QWWMSEDTVFDZDR-AMIZOPFISA-N 0 0 196.271 1.636 10 0 ADAERN Cc1ccc([C@H](O)CO)cc1 33505927 343105033 /nfs/dbraw/zinc/10/50/33/343105033.db2.gz LRVUCXFUHLHEDF-SECBINFHSA-N 0 0 152.193 1.021 10 0 ADAERN C[C@H](C(=O)c1ccccc1)[S@@](C)=O 33505875 343105062 /nfs/dbraw/zinc/10/50/62/343105062.db2.gz QWWMSEDTVFDZDR-OQPBUACISA-N 0 0 196.271 1.636 10 0 ADAERN Cc1ccc(NC(N)=S)cc1N 33488737 343105080 /nfs/dbraw/zinc/10/50/80/343105080.db2.gz FTVOPDHBECLLNB-UHFFFAOYSA-N 0 0 181.264 1.233 10 0 ADAERN Cc1c[nH]c2ccc(F)cc2c1=O 33505628 343105173 /nfs/dbraw/zinc/10/51/73/343105173.db2.gz ONPXXNMNFDRPNV-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN Cc1ccc([C@@H](O)CO)cc1 33505926 343105217 /nfs/dbraw/zinc/10/52/17/343105217.db2.gz LRVUCXFUHLHEDF-VIFPVBQESA-N 0 0 152.193 1.021 10 0 ADAERN C[C@H](C(=O)[O-])C1CC[NH+](C)CC1 33487589 343105243 /nfs/dbraw/zinc/10/52/43/343105243.db2.gz ICCSVUNAPBXYLC-ZETCQYMHSA-N 0 0 171.240 1.049 10 0 ADAERN CCO[C@@H](CO)c1ccccc1 33506322 343105248 /nfs/dbraw/zinc/10/52/48/343105248.db2.gz QISVRAXIZYUGJB-JTQLQIEISA-N 0 0 166.220 1.757 10 0 ADAERN CC[S@@](=O)Cc1ccccc1O 33604903 343105371 /nfs/dbraw/zinc/10/53/71/343105371.db2.gz OFHHOTUNPVCFGS-LBPRGKRZSA-N 0 0 184.260 1.661 10 0 ADAERN Cc1cccc(NC(=O)N(C)C)c1O 33607436 343105420 /nfs/dbraw/zinc/10/54/20/343105420.db2.gz RRNUCYMPMFVIGK-UHFFFAOYSA-N 0 0 194.234 1.794 10 0 ADAERN Cc1nc(C(=S)S)c(C)[nH]1 33607798 343105445 /nfs/dbraw/zinc/10/54/45/343105445.db2.gz IYGWFIIGWCNJAR-UHFFFAOYSA-N 0 0 172.278 1.632 10 0 ADAERN C[C@H]1Cc2ccccc2N1C(N)=S 33508053 343105513 /nfs/dbraw/zinc/10/55/13/343105513.db2.gz OAPRLNLOMUODQR-ZETCQYMHSA-N 0 0 192.287 1.681 10 0 ADAERN Cc1cc(Cl)nc(C)c1C(N)=O 33570033 343105541 /nfs/dbraw/zinc/10/55/41/343105541.db2.gz QYXCBSGNFYPJSH-UHFFFAOYSA-N 0 0 184.626 1.451 10 0 ADAERN CC[S@](=O)Cc1ccccc1O 33604904 343105548 /nfs/dbraw/zinc/10/55/48/343105548.db2.gz OFHHOTUNPVCFGS-GFCCVEGCSA-N 0 0 184.260 1.661 10 0 ADAERN CN(C)C(=O)Nc1ccccc1O 33607434 343105603 /nfs/dbraw/zinc/10/56/03/343105603.db2.gz VYKYSTWKUAETPR-UHFFFAOYSA-N 0 0 180.207 1.486 10 0 ADAERN CC1=C(Cl)C(=O)OC1 33639432 343105658 /nfs/dbraw/zinc/10/56/58/343105658.db2.gz RZQNZDURDLIZRR-UHFFFAOYSA-N 0 0 132.546 1.056 10 0 ADAERN CC[C@@H]1C[C@H](OC)O[C@@H]1OC 33611155 343105687 /nfs/dbraw/zinc/10/56/87/343105687.db2.gz MHQJXBOSOJIRBZ-PRJMDXOYSA-N 0 0 160.213 1.378 10 0 ADAERN CCCCCCN1CC(=O)NC1=O 33608864 343105696 /nfs/dbraw/zinc/10/56/96/343105696.db2.gz HFSWPCFMUVLFTM-UHFFFAOYSA-N 0 0 184.239 1.119 10 0 ADAERN CCCCc1cnc[nH]c1=O 33639366 343105791 /nfs/dbraw/zinc/10/57/91/343105791.db2.gz XDCIBZVFAIWWIE-UHFFFAOYSA-N 0 0 152.197 1.113 10 0 ADAERN CC[C@@H]1C[C@@H](OC)O[C@@H]1OC 33611153 343105831 /nfs/dbraw/zinc/10/58/31/343105831.db2.gz MHQJXBOSOJIRBZ-CSMHCCOUSA-N 0 0 160.213 1.378 10 0 ADAERN CCc1cccc(OC(N)=O)c1 33640914 343105832 /nfs/dbraw/zinc/10/58/32/343105832.db2.gz RGPOXMDBILNSSS-UHFFFAOYSA-N 0 0 165.192 1.707 10 0 ADAERN CCC(=O)OCCc1ncsc1C 33611420 343105877 /nfs/dbraw/zinc/10/58/77/343105877.db2.gz HEVNJCHQOIKSBD-UHFFFAOYSA-N 0 0 199.275 1.947 10 0 ADAERN CCCCOCC(OC)OC 33608657 343105901 /nfs/dbraw/zinc/10/59/01/343105901.db2.gz NKPXTNPNZFWDCL-UHFFFAOYSA-N 0 0 162.229 1.422 10 0 ADAERN C[C@H](NC=O)C(C)(C)C 33638483 343105920 /nfs/dbraw/zinc/10/59/20/343105920.db2.gz NFBFERYHCPXWCC-LURJTMIESA-N 0 0 129.203 1.167 10 0 ADAERN C[C@H]1C[C@@H](Cc2ccccc2)NC1=O 33638668 343105924 /nfs/dbraw/zinc/10/59/24/343105924.db2.gz WPMFKCWRVDOCEC-ONGXEEELSA-N 0 0 189.258 1.754 10 0 ADAERN COc1ccccc1N(C)C(N)=O 33649007 343106057 /nfs/dbraw/zinc/10/60/57/343106057.db2.gz WHNUNCMMRMMWHP-UHFFFAOYSA-N 0 0 180.207 1.210 10 0 ADAERN Cc1ccc2nsnc2c1O 33756435 343106062 /nfs/dbraw/zinc/10/60/62/343106062.db2.gz FNNCFRCSZZTMFD-UHFFFAOYSA-N 0 0 166.205 1.705 10 0 ADAERN Nc1cccc2c1CCC(=O)C2 33751423 343106137 /nfs/dbraw/zinc/10/61/37/343106137.db2.gz VOVCQLKUCHAVLW-UHFFFAOYSA-N 0 0 161.204 1.327 10 0 ADAERN CC(C)N(C(N)=O)c1ccccc1 33648998 343106169 /nfs/dbraw/zinc/10/61/69/343106169.db2.gz IHTPIECSQCQMRZ-UHFFFAOYSA-N 0 0 178.235 1.980 10 0 ADAERN CCN(C(N)=O)c1ccc(C)cc1 33648959 343106230 /nfs/dbraw/zinc/10/62/30/343106230.db2.gz SSKUBAXBYMKKRG-UHFFFAOYSA-N 0 0 178.235 1.900 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccccc1 33648241 343106281 /nfs/dbraw/zinc/10/62/81/343106281.db2.gz PCBNXKFYNJHJKY-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CCNC(=S)OCC(C)C 33650257 343106283 /nfs/dbraw/zinc/10/62/83/343106283.db2.gz HMZPXZFXOANPHS-UHFFFAOYSA-N 0 0 161.270 1.553 10 0 ADAERN CCOC(=O)/C=C\CCCC=O 33789527 343106298 /nfs/dbraw/zinc/10/62/98/343106298.db2.gz PCWFTLPHDUBEJX-ALCCZGGFSA-N 0 0 170.208 1.475 10 0 ADAERN Nc1cc(Nc2ccccc2)ncn1 33648211 343106319 /nfs/dbraw/zinc/10/63/19/343106319.db2.gz QHMLYBPYRIVJDA-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN CCCCOc1ncc(N)cn1 33824032 343106412 /nfs/dbraw/zinc/10/64/12/343106412.db2.gz ZCYLUQUNKIIGEI-UHFFFAOYSA-N 0 0 167.212 1.238 10 0 ADAERN C[S@@](=O)C[C@H](O)c1ccccc1 33807580 343106668 /nfs/dbraw/zinc/10/66/68/343106668.db2.gz UXUPTVAMXKSGQI-CABZTGNLSA-N 0 0 184.260 1.099 10 0 ADAERN C[S@@](=O)C[C@@H](O)c1ccccc1 33807582 343106454 /nfs/dbraw/zinc/10/64/54/343106454.db2.gz UXUPTVAMXKSGQI-SKDRFNHKSA-N 0 0 184.260 1.099 10 0 ADAERN O=C1C[C@@H]2CC[C@@H]3[C@H]1[C@H]23 33822500 343106460 /nfs/dbraw/zinc/10/64/60/343106460.db2.gz LJNOXBUWLCUHMQ-DGCAKLBHSA-N 0 0 122.167 1.231 10 0 ADAERN COCC(=O)C1CC(C)C1 33823106 343106495 /nfs/dbraw/zinc/10/64/95/343106495.db2.gz FVVGLKJAWJISCR-UHFFFAOYSA-N 0 0 142.198 1.248 10 0 ADAERN Cc1cc(C)nc(C(N)=S)c1 33841366 343106822 /nfs/dbraw/zinc/10/68/22/343106822.db2.gz NFPNRPLYEPJKEF-UHFFFAOYSA-N 0 0 166.249 1.333 10 0 ADAERN C[S@](=O)C[C@H](O)c1ccccc1 33807581 343106620 /nfs/dbraw/zinc/10/66/20/343106620.db2.gz UXUPTVAMXKSGQI-JOYOIKCWSA-N 0 0 184.260 1.099 10 0 ADAERN C[S@](=O)C[C@@H](O)c1ccccc1 33807583 343106707 /nfs/dbraw/zinc/10/67/07/343106707.db2.gz UXUPTVAMXKSGQI-BXKDBHETSA-N 0 0 184.260 1.099 10 0 ADAERN CC(=O)/C=C/CC[C@H]1CCC(=O)N1 33839956 343106848 /nfs/dbraw/zinc/10/68/48/343106848.db2.gz UQEZKJBIFBIJIE-LXOKAJLYSA-N 0 0 181.235 1.190 10 0 ADAERN NC(=O)NC(=O)c1ccccc1Cl 33824601 343106863 /nfs/dbraw/zinc/10/68/63/343106863.db2.gz ZGOLQMOPAHHQCC-UHFFFAOYSA-N 0 0 198.609 1.149 10 0 ADAERN CN(C)c1ccc2nccnc2n1 33836216 343106872 /nfs/dbraw/zinc/10/68/72/343106872.db2.gz DPTRDVYNSVHWHG-UHFFFAOYSA-N 0 0 174.207 1.091 10 0 ADAERN Cc1cc(N)c(O)cc1[N+](=O)[O-] 33839077 343106876 /nfs/dbraw/zinc/10/68/76/343106876.db2.gz WZSBYBXNPKFJTA-UHFFFAOYSA-N 0 0 168.152 1.191 10 0 ADAERN C/C=C(\C)C(C)(C)O 33841296 343106887 /nfs/dbraw/zinc/10/68/87/343106887.db2.gz PGCNLWGJQKSWAP-AATRIKPKSA-N 0 0 114.188 1.724 10 0 ADAERN CN1C[C@@H](Cc2ccccc2)OC1=O 33829556 343106895 /nfs/dbraw/zinc/10/68/95/343106895.db2.gz UZJQTLVIRDTJTM-SNVBAGLBSA-N 0 0 191.230 1.680 10 0 ADAERN C[C@H](O)C/C=C/C(=O)OC(C)(C)C 33841099 343107054 /nfs/dbraw/zinc/10/70/54/343107054.db2.gz KSGLIGJJMLXKID-IVGLGHLBSA-N 0 0 186.251 1.655 10 0 ADAERN CN1C[C@H](Cc2ccccc2)OC1=O 33829555 343107068 /nfs/dbraw/zinc/10/70/68/343107068.db2.gz UZJQTLVIRDTJTM-JTQLQIEISA-N 0 0 191.230 1.680 10 0 ADAERN CC/C=C\COC(C)=O 33839815 343107079 /nfs/dbraw/zinc/10/70/79/343107079.db2.gz WGGJTPQHVFOGPN-PLNGDYQASA-N 0 0 128.171 1.516 10 0 ADAERN O=C1C=CC=CCCC1 33835470 343107107 /nfs/dbraw/zinc/10/71/07/343107107.db2.gz QRPIEZZXVJNFTA-UHFFFAOYSA-N 0 0 122.167 1.852 10 0 ADAERN CCSc1nc(C)nc(NC)n1 33827048 343107117 /nfs/dbraw/zinc/10/71/17/343107117.db2.gz UYUYHXZGBCQIBZ-UHFFFAOYSA-N 0 0 184.268 1.334 10 0 ADAERN C/C=C/COCCC 33840802 343107154 /nfs/dbraw/zinc/10/71/54/343107154.db2.gz IHZUHZICKKWHPH-HWKANZROSA-N 0 0 114.188 1.989 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)CC 33836330 343107158 /nfs/dbraw/zinc/10/71/58/343107158.db2.gz GJVULYAMMGGVSM-KNIZRNDPSA-N 0 0 141.214 1.477 10 0 ADAERN C=C/C=C\CCO 33841412 343107204 /nfs/dbraw/zinc/10/72/04/343107204.db2.gz SAXBDVYNGGCITG-ARJAWSKDSA-N 0 0 98.145 1.111 10 0 ADAERN CCc1cnccc1C(N)=S 33844985 343107260 /nfs/dbraw/zinc/10/72/60/343107260.db2.gz JZTXIMKFZRGUKQ-UHFFFAOYSA-N 0 0 166.249 1.278 10 0 in-vitro ADAERN C[C@H]1CCc2[nH]c(=S)[nH]c(=O)c2C1 33846856 343107262 /nfs/dbraw/zinc/10/72/62/343107262.db2.gz LFVRHWGTTCUCFJ-YFKPBYRVSA-N 0 0 196.275 1.557 10 0 ADAERN C/C(=C\CO)CCC1OCCO1 33841957 343107268 /nfs/dbraw/zinc/10/72/68/343107268.db2.gz WTSRONQBZHBNRE-XBXARRHUSA-N 0 0 172.224 1.078 10 0 ADAERN C=C/C=C/N1CCOCC1 33845230 343107271 /nfs/dbraw/zinc/10/72/71/343107271.db2.gz IWEIPICHXMWRJU-ONEGZZNKSA-N 0 0 139.198 1.018 10 0 ADAERN CCC/C=C/CC(=O)OC 33841998 343107276 /nfs/dbraw/zinc/10/72/76/343107276.db2.gz MELNJTLUIHVCHX-AATRIKPKSA-N 0 0 142.198 1.906 10 0 ADAERN Cc1nc2cccc3c2n1CC[C@@H]3O 33853976 343107288 /nfs/dbraw/zinc/10/72/88/343107288.db2.gz GDSVTYJNNNGCGU-JTQLQIEISA-N 0 0 188.230 1.782 10 0 ADAERN Cc1cnc(C(N)=S)c(C)c1 33846099 343107341 /nfs/dbraw/zinc/10/73/41/343107341.db2.gz TUHFLSDQWSRIIC-UHFFFAOYSA-N 0 0 166.249 1.333 10 0 ADAERN C/C=C(\C)COC 33842538 343107370 /nfs/dbraw/zinc/10/73/70/343107370.db2.gz WHATVSMTILGUIH-GQCTYLIASA-N 0 0 100.161 1.599 10 0 ADAERN C/C=C/CCC(=O)OC 33841512 343107381 /nfs/dbraw/zinc/10/73/81/343107381.db2.gz MEZYCNMPBPQTLK-ONEGZZNKSA-N 0 0 128.171 1.516 10 0 ADAERN CCC/C=C\COC 33841859 343107418 /nfs/dbraw/zinc/10/74/18/343107418.db2.gz KCUBTOJYCKJIDC-WAYWQWQTSA-N 0 0 114.188 1.989 10 0 ADAERN Cc1nc2cccc3c2n1CC[C@H]3O 33853977 343107422 /nfs/dbraw/zinc/10/74/22/343107422.db2.gz GDSVTYJNNNGCGU-SNVBAGLBSA-N 0 0 188.230 1.782 10 0 ADAERN C/C=C/CCCOC(C)=O 33841432 343107438 /nfs/dbraw/zinc/10/74/38/343107438.db2.gz SXIMDPDAXHQFFD-ONEGZZNKSA-N 0 0 142.198 1.906 10 0 in-vitro,metabolite ADAERN CCOC(=O)C/C(C)=C/C(=O)OC 33845286 343107447 /nfs/dbraw/zinc/10/74/47/343107447.db2.gz WPMUHHZROGJWCH-FNORWQNLSA-N 0 0 186.207 1.059 10 0 ADAERN Cc1cccc(N(C)C(N)=O)c1 33853042 343107450 /nfs/dbraw/zinc/10/74/50/343107450.db2.gz IRPUUOUNHVHZKX-UHFFFAOYSA-N 0 0 164.208 1.510 10 0 ADAERN Cc1cc(C(N)=S)cc(C)n1 33846098 343107452 /nfs/dbraw/zinc/10/74/52/343107452.db2.gz MRWBYEDZYCCCMU-UHFFFAOYSA-N 0 0 166.249 1.333 10 0 in-vitro ADAERN Cc1nc2cccc3c2n1CCC3=O 33853972 343107459 /nfs/dbraw/zinc/10/74/59/343107459.db2.gz ZIRIKAYFRDMNJX-UHFFFAOYSA-N 0 0 186.214 1.931 10 0 ADAERN S=c1[nH]nc2c(Cl)cccn12 33846571 343107463 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/nfs/dbraw/zinc/10/85/69/343108569.db2.gz DWVXFVWWARTDCQ-UHFFFAOYSA-N 0 0 138.166 1.660 10 0 ADAERN CCCCCNC(N)=S 33985750 343108505 /nfs/dbraw/zinc/10/85/05/343108505.db2.gz KIYXXKTUEPCNLC-UHFFFAOYSA-N 0 0 146.259 1.010 10 0 ADAERN CCc1cc(N)sn1 33975210 343108560 /nfs/dbraw/zinc/10/85/60/343108560.db2.gz AATDSBHJKWFLTQ-UHFFFAOYSA-N 0 0 128.200 1.288 10 0 ADAERN Cc1c(N)ccc2c1CC(=O)N2 33961458 343108600 /nfs/dbraw/zinc/10/86/00/343108600.db2.gz MEZSFNSUGSIPIZ-UHFFFAOYSA-N 0 0 162.192 1.072 10 0 ADAERN c1cc(-c2c[nH]nn2)cs1 33975169 343108615 /nfs/dbraw/zinc/10/86/15/343108615.db2.gz DWPHFTAAGNIEEL-UHFFFAOYSA-N 0 0 151.194 1.533 10 0 ADAERN CCc1nnc(CC)s1 33985924 343108622 /nfs/dbraw/zinc/10/86/22/343108622.db2.gz BXVZVOBTUSLCIO-UHFFFAOYSA-N 0 0 142.227 1.663 10 0 ADAERN C[C@H]1CCCC[C@@H]1[C@H]([NH3+])C(=O)[O-] 33966105 343108630 /nfs/dbraw/zinc/10/86/30/343108630.db2.gz QPSHSWLKGUXBDR-FXQIFTODSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@H]1CC[C@H]([C@@H](C)CO)[C@H](O)C1 33961509 343108632 /nfs/dbraw/zinc/10/86/32/343108632.db2.gz BINZTUGHCIRHLP-AXTSPUMRSA-N 0 0 172.268 1.412 10 0 ADAERN C[C@H]1CCCC[C@H]1[C@H]([NH3+])C(=O)[O-] 33966107 343108643 /nfs/dbraw/zinc/10/86/43/343108643.db2.gz QPSHSWLKGUXBDR-RNJXMRFFSA-N 0 0 171.240 1.225 10 0 ADAERN CC1(C)CCOC(=O)O1 33961374 343108644 /nfs/dbraw/zinc/10/86/44/343108644.db2.gz CBMUUDZXMOBDFC-UHFFFAOYSA-N 0 0 130.143 1.322 10 0 ADAERN CC1(C)CC[C@]1(C[NH3+])CC(=O)[O-] 34016858 343108783 /nfs/dbraw/zinc/10/87/83/343108783.db2.gz OPAXRDNEIABTQI-SECBINFHSA-N 0 0 171.240 1.226 10 0 ADAERN COc1ccc(N(C)C)cn1 34049628 343108818 /nfs/dbraw/zinc/10/88/18/343108818.db2.gz CREDJITUIHHIFL-UHFFFAOYSA-N 0 0 152.197 1.156 10 0 in-vitro ADAERN C[C@H]1CC[C@H](C)N1C#N 33992085 343108852 /nfs/dbraw/zinc/10/88/52/343108852.db2.gz GMDVXUCIZWAWPT-BQBZGAKWSA-N 0 0 124.187 1.340 10 0 ADAERN CCCCOC[C@H](O)COCC 34027410 343108866 /nfs/dbraw/zinc/10/88/66/343108866.db2.gz UXQUQIDOQQLAOV-SECBINFHSA-N 0 0 176.256 1.201 10 0 ADAERN NC(=O)C(=O)c1ccc2ccccc2c1 34017067 343108905 /nfs/dbraw/zinc/10/89/05/343108905.db2.gz LUAZLNKNDJICIO-UHFFFAOYSA-N 0 0 199.209 1.508 10 0 ADAERN Cc1cc(C)cc(N(C)C=O)c1 33992168 343108882 /nfs/dbraw/zinc/10/88/82/343108882.db2.gz DVFYVYBXRXSYNX-UHFFFAOYSA-N 0 0 163.220 1.896 10 0 ADAERN O=C1C[C@H](C2CCCCC2)O1 34049634 343108951 /nfs/dbraw/zinc/10/89/51/343108951.db2.gz YYBSHPWHDZVUPV-MRVPVSSYSA-N 0 0 154.209 1.882 10 0 ADAERN c1csc(-c2c[nH]nn2)c1 34049626 343108980 /nfs/dbraw/zinc/10/89/80/343108980.db2.gz QWZVHIYHAVSECN-UHFFFAOYSA-N 0 0 151.194 1.533 10 0 ADAERN CCc1cc(CO)ccn1 34049592 343109021 /nfs/dbraw/zinc/10/90/21/343109021.db2.gz KMRUOPWMFMXHMI-UHFFFAOYSA-N 0 0 137.182 1.136 10 0 ADAERN CCCCOC[C@@H](O)COCC 34027411 343109047 /nfs/dbraw/zinc/10/90/47/343109047.db2.gz UXQUQIDOQQLAOV-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN Nc1ccc(-c2cn[nH]n2)cc1Cl 34049829 343109052 /nfs/dbraw/zinc/10/90/52/343109052.db2.gz FETAEODXHKRKLJ-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN CC1(C)CC[C@@]1(C[NH3+])CC(=O)[O-] 34016859 343109095 /nfs/dbraw/zinc/10/90/95/343109095.db2.gz OPAXRDNEIABTQI-VIFPVBQESA-N 0 0 171.240 1.226 10 0 ADAERN CCOC(=O)C[C@H](O)c1ccncc1 34061277 343109268 /nfs/dbraw/zinc/10/92/68/343109268.db2.gz GRIVNSOESQXSLB-VIFPVBQESA-N 0 0 195.218 1.068 10 0 ADAERN C[C@](O)(CO)c1ccc(Cl)cc1 34061021 343109300 /nfs/dbraw/zinc/10/93/00/343109300.db2.gz GPAKZAKGROKTFS-VIFPVBQESA-N 0 0 186.638 1.540 10 0 ADAERN C=C(C)C[C@H](N)C(=O)OC(C)(C)C 34060984 343109340 /nfs/dbraw/zinc/10/93/40/343109340.db2.gz HQVGCJRZCBKNRI-QMMMGPOBSA-N 0 0 185.267 1.622 10 0 ADAERN C[C@]1(CO)CCC=CO1 34067737 343109344 /nfs/dbraw/zinc/10/93/44/343109344.db2.gz RAIAVFRYRUYJLL-SSDOTTSWSA-N 0 0 128.171 1.062 10 0 ADAERN Cc1ccc(N)c(C(N)=S)c1 34071149 343109356 /nfs/dbraw/zinc/10/93/56/343109356.db2.gz CUACFMXJPMIIRU-UHFFFAOYSA-N 0 0 166.249 1.211 10 0 ADAERN C=C(C)C[C@@H](N)C(=O)OC(C)(C)C 34060985 343109373 /nfs/dbraw/zinc/10/93/73/343109373.db2.gz HQVGCJRZCBKNRI-MRVPVSSYSA-N 0 0 185.267 1.622 10 0 ADAERN CCOC(=O)C[C@@H](O)c1ccncc1 34061278 343109485 /nfs/dbraw/zinc/10/94/85/343109485.db2.gz GRIVNSOESQXSLB-SECBINFHSA-N 0 0 195.218 1.068 10 0 ADAERN CC(C)/C=C/CCO 34070851 343109505 /nfs/dbraw/zinc/10/95/05/343109505.db2.gz AZEDRJOTTIHOIQ-HWKANZROSA-N 0 0 114.188 1.581 10 0 ADAERN CC1(C)C=CC(C)(C)N1O 34060400 343109510 /nfs/dbraw/zinc/10/95/10/343109510.db2.gz UYWXJSVIWUOWGG-UHFFFAOYSA-N 0 0 141.214 1.805 10 0 in-vitro ADAERN CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C1=O 34076416 343109709 /nfs/dbraw/zinc/10/97/09/343109709.db2.gz VBGQOUJGLIUFMW-BQBZGAKWSA-N 0 0 197.234 1.400 10 0 ADAERN O=C(Cn1nccn1)c1ccccc1 34083814 343109730 /nfs/dbraw/zinc/10/97/30/343109730.db2.gz USGQFWSEBWJWOJ-UHFFFAOYSA-N 0 0 187.202 1.161 10 0 ADAERN CCCC(=O)c1ncc[nH]1 34075432 343109747 /nfs/dbraw/zinc/10/97/47/343109747.db2.gz YTQDJKXKROYDFV-UHFFFAOYSA-N 0 0 138.170 1.393 10 0 ADAERN OCCC[C@@H](O)c1ccoc1 34079303 343109870 /nfs/dbraw/zinc/10/98/70/343109870.db2.gz OTLGPIBBVWUOAZ-MRVPVSSYSA-N 0 0 156.181 1.086 10 0 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343110264 /nfs/dbraw/zinc/11/02/64/343110264.db2.gz DLCPFGMZQDXZOD-SSDOTTSWSA-N 0 0 167.233 1.006 10 0 ADAERN Cc1nc(C)c(C)c(C)n1 34091466 343110350 /nfs/dbraw/zinc/11/03/50/343110350.db2.gz NBLWWYQPSUNZKP-UHFFFAOYSA-N 0 0 136.198 1.710 10 0 ADAERN CC(C)C(=O)[C@H]1C[C@@H]1C 34102086 343110463 /nfs/dbraw/zinc/11/04/63/343110463.db2.gz DJFUGDZKFZUZES-BQBZGAKWSA-N 0 0 126.199 1.868 10 0 ADAERN COc1cccc2c1[C@H](O)OC2 34108002 343110504 /nfs/dbraw/zinc/11/05/04/343110504.db2.gz QUFADQINMCGVHD-SECBINFHSA-N 0 0 166.176 1.216 10 0 ADAERN C[C@]1(O)CCCc2cccnc21 34108186 343110512 /nfs/dbraw/zinc/11/05/12/343110512.db2.gz SLAVYRWNTDDWGG-JTQLQIEISA-N 0 0 163.220 1.625 10 0 ADAERN CC(=O)c1cc(N)ccc1N 34100132 343110558 /nfs/dbraw/zinc/11/05/58/343110558.db2.gz KWURNIAJMJFQAL-UHFFFAOYSA-N 0 0 150.181 1.054 10 0 ADAERN COc1cccc2c1[C@@H](O)OC2 34108003 343110580 /nfs/dbraw/zinc/11/05/80/343110580.db2.gz QUFADQINMCGVHD-VIFPVBQESA-N 0 0 166.176 1.216 10 0 ADAERN COC(=O)[C@H]1Nc2ccccc2[C@H]1C 34102135 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C[C@H](O)C(=O)c1ccc(F)cc1F 34589624 343122837 /nfs/dbraw/zinc/12/28/37/343122837.db2.gz REHMWFXPLWURSF-YFKPBYRVSA-N 0 0 186.157 1.528 10 0 ADAERN COC(=O)CCc1ccc2n1CCC2 34593584 343122875 /nfs/dbraw/zinc/12/28/75/343122875.db2.gz ORTYVNOQVZYPFS-UHFFFAOYSA-N 0 0 193.246 1.540 10 0 ADAERN C[C@@]12CCC(=O)[C@@H]1CC2 34596173 343122951 /nfs/dbraw/zinc/12/29/51/343122951.db2.gz CENJLQWZLXMSIR-POYBYMJQSA-N 0 0 124.183 1.766 10 0 ADAERN C/C=C(\F)C(=O)OCC 34596040 343122977 /nfs/dbraw/zinc/12/29/77/343122977.db2.gz QLHGLYDXAPYODR-HYXAFXHYSA-N 0 0 132.134 1.423 10 0 ADAERN C[C@@]12CCC(=O)[C@H]1CC2 34596171 343122989 /nfs/dbraw/zinc/12/29/89/343122989.db2.gz CENJLQWZLXMSIR-HTRCEHHLSA-N 0 0 124.183 1.766 10 0 ADAERN CCC[C@@]1(C(C)=O)CCOC1=O 34596556 343123072 /nfs/dbraw/zinc/12/30/72/343123072.db2.gz ZAQBOGUDHIMRCG-VIFPVBQESA-N 0 0 170.208 1.309 10 0 ADAERN C=CCn1cnc2ncnc(Cl)c21 34599674 343123075 /nfs/dbraw/zinc/12/30/75/343123075.db2.gz QNLSHRLPSMKLSP-UHFFFAOYSA-N 0 0 194.625 1.666 10 0 ADAERN O=C1CCC2(CCCC2)O1 34598955 343123083 /nfs/dbraw/zinc/12/30/83/343123083.db2.gz JFVMNDINHUZJDN-UHFFFAOYSA-N 0 0 140.182 1.636 10 0 ADAERN COc1cccc(C)c1C(=O)N(C)C 34596987 343123087 /nfs/dbraw/zinc/12/30/87/343123087.db2.gz FCVXCHPIKRTORL-UHFFFAOYSA-N 0 0 193.246 1.705 10 0 ADAERN Cc1cc(CCO)cc(C)c1O 34596490 343123125 /nfs/dbraw/zinc/12/31/25/343123125.db2.gz BKHOVWQAQCXLBF-UHFFFAOYSA-N 0 0 166.220 1.544 10 0 ADAERN CC(=O)OC[C@@H](C)C[C@@H](C)C=O 34596592 343123144 /nfs/dbraw/zinc/12/31/44/343123144.db2.gz VPJGRXDHGORXSS-SFYZADRCSA-N 0 0 172.224 1.411 10 0 ADAERN C[C@@H](O)[C@@H](C)OC(=O)c1ccccc1 34596994 343123167 /nfs/dbraw/zinc/12/31/67/343123167.db2.gz ZVPKYSGRWDSAPT-RKDXNWHRSA-N 0 0 194.230 1.613 10 0 ADAERN Cc1cc(O)cc2c1OCC2 34599028 343123169 /nfs/dbraw/zinc/12/31/69/343123169.db2.gz HJBHHNMKQQPLFC-UHFFFAOYSA-N 0 0 150.177 1.636 10 0 ADAERN CO[C@@]12CC[C@@H](C=C[C@@]1(C)O)C2 34599203 343123188 /nfs/dbraw/zinc/12/31/88/343123188.db2.gz BLIZKWFWXGPNHO-OPRDCNLKSA-N 0 0 168.236 1.493 10 0 ADAERN CCC/C=C/C(=O)N1CCOC1=O 34596779 343123219 /nfs/dbraw/zinc/12/32/19/343123219.db2.gz JTJNYQJBLNODEB-SNAWJCMRSA-N 0 0 183.207 1.322 10 0 ADAERN CCC[C@]1(C(C)=O)CCOC1=O 34596554 343123237 /nfs/dbraw/zinc/12/32/37/343123237.db2.gz ZAQBOGUDHIMRCG-SECBINFHSA-N 0 0 170.208 1.309 10 0 ADAERN COC(=O)C[C@H](C)C(F)(F)F 34610341 343123361 /nfs/dbraw/zinc/12/33/61/343123361.db2.gz QEYOPOHPEORKOD-BYPYZUCNSA-N 0 0 170.130 1.748 10 0 ADAERN COC(=O)C[C@H](O)CC(C)(C)C 34604320 343123404 /nfs/dbraw/zinc/12/34/04/343123404.db2.gz LZZCQWFOHMSQHJ-ZETCQYMHSA-N 0 0 174.240 1.347 10 0 ADAERN C=COC(=O)N(CC)CC 34617661 343123420 /nfs/dbraw/zinc/12/34/20/343123420.db2.gz RCTMPBPPPDIMPF-UHFFFAOYSA-N 0 0 143.186 1.608 10 0 ADAERN Cc1cccc(C)c1C(=O)NC(N)=O 34610994 343123426 /nfs/dbraw/zinc/12/34/26/343123426.db2.gz DZXBCDJVBJJPAP-UHFFFAOYSA-N 0 0 192.218 1.112 10 0 ADAERN Cc1noc(C(C)(C)C)n1 34610352 343123434 /nfs/dbraw/zinc/12/34/34/343123434.db2.gz RIZZIZOOMFEJDM-UHFFFAOYSA-N 0 0 140.186 1.676 10 0 ADAERN Cc1[nH]c2nc(N)nc(Cl)c2c1C 34604483 343123448 /nfs/dbraw/zinc/12/34/48/343123448.db2.gz PQFBXIZSVKSBQZ-UHFFFAOYSA-N 0 0 196.641 1.810 10 0 ADAERN CN(C)C(=O)N(O)c1ccccc1 34612241 343123453 /nfs/dbraw/zinc/12/34/53/343123453.db2.gz KAUUBCICPFZMML-UHFFFAOYSA-N 0 0 180.207 1.564 10 0 ADAERN COC(=O)C[C@@H](C)C(F)(F)F 34610342 343123542 /nfs/dbraw/zinc/12/35/42/343123542.db2.gz QEYOPOHPEORKOD-SCSAIBSYSA-N 0 0 170.130 1.748 10 0 ADAERN O=[S@](c1ccccc1)C1CC1 34617964 343123549 /nfs/dbraw/zinc/12/35/49/343123549.db2.gz UCXWXPWJUXXCPX-NSHDSACASA-N 0 0 166.245 1.957 10 0 ADAERN Cc1c(N)noc1C(F)(F)F 34610353 343123610 /nfs/dbraw/zinc/12/36/10/343123610.db2.gz CJPRNGXVNAWSPF-UHFFFAOYSA-N 0 0 166.102 1.584 10 0 ADAERN CC(C)[C@H](O)C(=O)c1ccccc1 34622091 343123708 /nfs/dbraw/zinc/12/37/08/343123708.db2.gz SXBWYXYGEHOVPU-JTQLQIEISA-N 0 0 178.231 1.886 10 0 ADAERN O=C(CN1CCCCC1)C(F)(F)F 34618941 343123790 /nfs/dbraw/zinc/12/37/90/343123790.db2.gz WCOACMMHVIHULO-UHFFFAOYSA-N 0 0 195.184 1.604 10 0 ADAERN CCOC(=O)[C@@H](O)CC1=CCCCC1 34619069 343123807 /nfs/dbraw/zinc/12/38/07/343123807.db2.gz KZVKHHJQGJRREM-JTQLQIEISA-N 0 0 198.262 1.801 10 0 ADAERN CN1CCc2ccccc2[C@H]1O 34621847 343123812 /nfs/dbraw/zinc/12/38/12/343123812.db2.gz VAKVRQKVYWYGKK-SNVBAGLBSA-N 0 0 163.220 1.165 10 0 ADAERN CN1CCc2ccccc2[C@@H]1O 34621846 343123825 /nfs/dbraw/zinc/12/38/25/343123825.db2.gz VAKVRQKVYWYGKK-JTQLQIEISA-N 0 0 163.220 1.165 10 0 ADAERN Cc1ccc([C@@H]([NH3+])[C@@H](C)C(=O)[O-])cc1 34618877 343123883 /nfs/dbraw/zinc/12/38/83/343123883.db2.gz WSPHPDPIOQGWAI-SCZZXKLOSA-N 0 0 193.246 1.716 10 0 ADAERN CCOC(=O)/C(C)=C/CCCO 34638675 343124179 /nfs/dbraw/zinc/12/41/79/343124179.db2.gz QMVUDKISNDCPIJ-SOFGYWHQSA-N 0 0 172.224 1.268 10 0 ADAERN C[C@@H]1CC(=O)N2CCC[C@H]12 34632707 343124181 /nfs/dbraw/zinc/12/41/81/343124181.db2.gz XTFBZBQZGKHCEZ-RNFRBKRXSA-N 0 0 139.198 1.017 10 0 ADAERN Cc1nc2cc(F)ccc2[nH]c1=O 34638694 343124219 /nfs/dbraw/zinc/12/42/19/343124219.db2.gz XSHAHALIPDPMMT-UHFFFAOYSA-N 0 0 178.166 1.371 10 0 ADAERN CCc1cnccc1CO 34742262 343124385 /nfs/dbraw/zinc/12/43/85/343124385.db2.gz KRGIBFCGEGKHLR-UHFFFAOYSA-N 0 0 137.182 1.136 10 0 ADAERN CC(C)NC(=S)C(C)C 34742138 343124405 /nfs/dbraw/zinc/12/44/05/343124405.db2.gz CDWPAEFSYPZBQF-UHFFFAOYSA-N 0 0 145.271 1.968 10 0 ADAERN CN(C)c1cccc(NC(N)=O)c1 34746474 343124845 /nfs/dbraw/zinc/12/48/45/343124845.db2.gz OYDQPYUVQAHEJH-UHFFFAOYSA-N 0 0 179.223 1.243 10 0 ADAERN CCC[C@@H]1CCC1=O 34753392 343124851 /nfs/dbraw/zinc/12/48/51/343124851.db2.gz DUOYRZPCIKJHMH-ZCFIWIBFSA-N 0 0 112.172 1.766 10 0 ADAERN COc1cccc(C)c1OC 34750496 343124856 /nfs/dbraw/zinc/12/48/56/343124856.db2.gz HVTDRVYAVWDWOX-UHFFFAOYSA-N 0 0 151.185 1.886 10 0 ADAERN [NH3+]CCc1ccccc1[S-] 34761193 343124893 /nfs/dbraw/zinc/12/48/93/343124893.db2.gz KOUVUCNOXRRULI-UHFFFAOYSA-N 0 0 153.250 1.477 10 0 ADAERN Cc1c[nH]c2c1CCC2 34743515 343124904 /nfs/dbraw/zinc/12/49/04/343124904.db2.gz FLSUUBAQYWDGGG-UHFFFAOYSA-N 0 0 121.183 1.812 10 0 ADAERN C[C@@]1(c2ccccc2)CCOC1=O 34770754 343125016 /nfs/dbraw/zinc/12/50/16/343125016.db2.gz UZSHKLDKZNMORJ-NSHDSACASA-N 0 0 176.215 1.891 10 0 ADAERN C[C@]1(c2ccccc2)CCOC1=O 34770753 343125068 /nfs/dbraw/zinc/12/50/68/343125068.db2.gz UZSHKLDKZNMORJ-LLVKDONJSA-N 0 0 176.215 1.891 10 0 ADAERN CCOC(=O)/C(=C\[N+](=O)[O-])C(C)C 34809099 343125164 /nfs/dbraw/zinc/12/51/64/343125164.db2.gz PAEXEMXDWAQRSF-ALCCZGGFSA-N 0 0 187.195 1.366 10 0 ADAERN Cc1ccc(/C=C\C(=O)NC2CC2)o1 34848297 343125385 /nfs/dbraw/zinc/12/53/85/343125385.db2.gz NDZIJSDNPILNIB-SREVYHEPSA-N 0 0 191.230 1.880 10 0 ADAERN CCCO[C@H](C)OCC 34827362 343125453 /nfs/dbraw/zinc/12/54/53/343125453.db2.gz SFYFEHYGHYITPC-SSDOTTSWSA-N 0 0 131.195 1.610 10 0 ADAERN OCC[C@@H]1O[C@@H]1c1ccccc1 34867659 343125490 /nfs/dbraw/zinc/12/54/90/343125490.db2.gz ZCNFBAJNMACHSZ-VHSXEESVSA-N 0 0 164.204 1.509 10 0 ADAERN C[C@H](CO)C1SCCCS1 34875323 343125530 /nfs/dbraw/zinc/12/55/30/343125530.db2.gz IANVBMCYSWVZDJ-ZCFIWIBFSA-N 0 0 178.322 1.811 10 0 ADAERN Cc1ccc2c(c1)OCO2 34827401 343125649 /nfs/dbraw/zinc/12/56/49/343125649.db2.gz YGUWLWCONAOALU-UHFFFAOYSA-N 0 0 135.142 1.597 10 0 ADAERN CCCC(OC)OC 34827560 343125676 /nfs/dbraw/zinc/12/56/76/343125676.db2.gz UCAXEIVQDZGSTP-UHFFFAOYSA-N 0 0 117.168 1.220 10 0 ADAERN C[C@H]1CCCC[C@@H]1NC(N)=S 34938865 343126136 /nfs/dbraw/zinc/12/61/36/343126136.db2.gz CAOMLGGTPPGEFR-BQBZGAKWSA-N 0 0 172.297 1.398 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1ccccn1 34940308 343126400 /nfs/dbraw/zinc/12/64/00/343126400.db2.gz JIKJNUGKCWHCPV-WPRPVWTQSA-N 0 0 175.231 1.849 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1ccccn1 34940310 343126504 /nfs/dbraw/zinc/12/65/04/343126504.db2.gz JIKJNUGKCWHCPV-WCBMZHEXSA-N 0 0 175.231 1.849 10 0 ADAERN Cc1cnn(CCC(C)C)c1N 34964025 343126675 /nfs/dbraw/zinc/12/66/75/343126675.db2.gz ITMITOXXHRXVQB-UHFFFAOYSA-N 0 0 167.256 1.820 10 0 ADAERN Nc1ccc(Oc2cccnc2)cn1 34962969 343126726 /nfs/dbraw/zinc/12/67/26/343126726.db2.gz XLSZKJMSRGYEJC-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(N)cn1 34962885 343126741 /nfs/dbraw/zinc/12/67/41/343126741.db2.gz IFQVBFOHNSCRHX-XPUUQOCRSA-N 0 0 191.234 1.258 10 0 ADAERN C[C@H]1CCC[C@@H]([NH2+]CC(=O)[O-])C1 34959545 343126751 /nfs/dbraw/zinc/12/67/51/343126751.db2.gz FUQSZGPFANDDCW-JGVFFNPUSA-N 0 0 171.240 1.239 10 0 ADAERN Cc1ncsc1C1N=NC(=S)O1 34964332 343126754 /nfs/dbraw/zinc/12/67/54/343126754.db2.gz SUDNLXRFTRRDAO-UHFFFAOYSA-N 0 0 199.260 1.790 10 0 ADAERN CCCCc1noc(N)c1C 34976032 343127093 /nfs/dbraw/zinc/12/70/93/343127093.db2.gz SOZOQJZAKKFSGK-UHFFFAOYSA-N 0 0 154.213 1.908 10 0 ADAERN Cc1ccc(C(=O)CN(C)C)cc1 34989549 343127123 /nfs/dbraw/zinc/12/71/23/343127123.db2.gz RXEMUPLUYJHUSZ-UHFFFAOYSA-N 0 0 177.247 1.739 10 0 ADAERN Cc1nc(N)c2c(C)c(C)n(C)c2n1 34976282 343127164 /nfs/dbraw/zinc/12/71/64/343127164.db2.gz UKCGWZOELQRFFS-UHFFFAOYSA-N 0 0 190.250 1.476 10 0 ADAERN CN(C)CC(=O)c1cc(F)ccc1F 34989563 343127234 /nfs/dbraw/zinc/12/72/34/343127234.db2.gz CVZQEMATZWIXCL-UHFFFAOYSA-N 0 0 199.200 1.709 10 0 ADAERN Cc1nc(Cc2ccc(F)cc2)n[nH]1 34979024 343127246 /nfs/dbraw/zinc/12/72/46/343127246.db2.gz BTEWBKAZQVAPEE-UHFFFAOYSA-N 0 0 191.209 1.843 10 0 ADAERN Cc1nnc(Cc2cccs2)[nH]1 34979029 343127298 /nfs/dbraw/zinc/12/72/98/343127298.db2.gz JTPCHOLKXKESHI-UHFFFAOYSA-N 0 0 179.248 1.765 10 0 ADAERN Cc1ccoc1C1N=NC(=S)N1 34977895 343127303 /nfs/dbraw/zinc/12/73/03/343127303.db2.gz ZDVXTJSHVQTNEZ-UHFFFAOYSA-N 0 0 181.220 1.662 10 0 ADAERN COC(=O)N1CCC[C@@H](C(C)=O)C1 35065772 343127382 /nfs/dbraw/zinc/12/73/82/343127382.db2.gz CKOMNTSMGDAXPX-MRVPVSSYSA-N 0 0 185.223 1.054 10 0 ADAERN CCCC/C=C/N1C(=O)CCC1=O 35077301 343127470 /nfs/dbraw/zinc/12/74/70/343127470.db2.gz BTIJZKKTHPAADW-VMPITWQZSA-N 0 0 181.235 1.839 10 0 ADAERN CN(C)C(=S)NCc1ccco1 35082150 343127481 /nfs/dbraw/zinc/12/74/81/343127481.db2.gz GDQBZONJVMXJAZ-UHFFFAOYSA-N 0 0 184.264 1.216 10 0 ADAERN CC(C)NC(=O)C(F)(F)Cl 35063460 343127497 /nfs/dbraw/zinc/12/74/97/343127497.db2.gz YXFIKOGNLAPYKU-UHFFFAOYSA-N 0 0 171.574 1.343 10 0 ADAERN Cc1cc(C(=O)CN(C)C)c(C)[nH]1 35054797 343127594 /nfs/dbraw/zinc/12/75/94/343127594.db2.gz JCPSRYBDWAWWHT-UHFFFAOYSA-N 0 0 180.251 1.376 10 0 ADAERN CCCC1COC1 35029066 343127619 /nfs/dbraw/zinc/12/76/19/343127619.db2.gz JYHQCSPKLMSAOQ-UHFFFAOYSA-N 0 0 100.161 1.433 10 0 ADAERN CC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 35019976 343127650 /nfs/dbraw/zinc/12/76/50/343127650.db2.gz ZFRAIOXZOVFHKC-HLTSFMKQSA-N 0 0 185.267 1.073 10 0 ADAERN COC(=O)/C=C\c1cccc(OC)c1 35091575 343127681 /nfs/dbraw/zinc/12/76/81/343127681.db2.gz NDMAAKFMVKZYIV-SREVYHEPSA-N 0 0 192.214 1.881 10 0 ADAERN CCCn1cccc1 35027583 343127758 /nfs/dbraw/zinc/12/77/58/343127758.db2.gz CVKLZHSZIWHXNN-UHFFFAOYSA-N 0 0 108.164 1.712 10 0 ADAERN Cc1ccc(CN(C)C(N)=O)o1 35126366 343128377 /nfs/dbraw/zinc/12/83/77/343128377.db2.gz ZUOCYGLEAFSVHI-UHFFFAOYSA-N 0 0 168.196 1.099 10 0 ADAERN Cc1cc(CSCCO)on1 35117070 343128502 /nfs/dbraw/zinc/12/85/02/343128502.db2.gz BOTKMTPGNMRWOD-UHFFFAOYSA-N 0 0 173.237 1.209 10 0 ADAERN C[C@H](NC(N)=O)c1ccco1 35149369 343128690 /nfs/dbraw/zinc/12/86/90/343128690.db2.gz ZUFISCWCJGZGSE-YFKPBYRVSA-N 0 0 154.169 1.009 10 0 ADAERN CCCCN1C(=O)[C@H]2CCCN2C1=O 35149340 343128750 /nfs/dbraw/zinc/12/87/50/343128750.db2.gz IDQNSOQKYVXSPZ-MRVPVSSYSA-N 0 0 196.250 1.213 10 0 ADAERN C[C@H](Nc1ncccn1)C1CC1 35135041 343128909 /nfs/dbraw/zinc/12/89/09/343128909.db2.gz DAZPKUVOAIVNTI-ZETCQYMHSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@H](Nc1ncccc1Cl)C(N)=O 35149225 343128932 /nfs/dbraw/zinc/12/89/32/343128932.db2.gz WBRKERKBLQVHPN-YFKPBYRVSA-N 0 0 199.641 1.021 10 0 ADAERN Cc1ccc([C@H](C)N[C@H](C)C(N)=O)o1 35139321 343128975 /nfs/dbraw/zinc/12/89/75/343128975.db2.gz HRWFQSBKSUMKQC-JGVFFNPUSA-N 0 0 196.250 1.112 10 0 ADAERN Cc1ccc([C@@H](C)N[C@@H](C)C(N)=O)o1 35139316 343128991 /nfs/dbraw/zinc/12/89/91/343128991.db2.gz HRWFQSBKSUMKQC-SFYZADRCSA-N 0 0 196.250 1.112 10 0 ADAERN CCCCN1C(=O)[C@@H]2CCCN2C1=O 35149339 343128996 /nfs/dbraw/zinc/12/89/96/343128996.db2.gz IDQNSOQKYVXSPZ-QMMMGPOBSA-N 0 0 196.250 1.213 10 0 ADAERN Cc1ccc([C@H](C)N[C@@H](C)C(N)=O)o1 35139318 343129004 /nfs/dbraw/zinc/12/90/04/343129004.db2.gz HRWFQSBKSUMKQC-YUMQZZPRSA-N 0 0 196.250 1.112 10 0 ADAERN Cc1ccc([C@@H](C)N[C@H](C)C(N)=O)o1 35139319 343129009 /nfs/dbraw/zinc/12/90/09/343129009.db2.gz HRWFQSBKSUMKQC-HTQZYQBOSA-N 0 0 196.250 1.112 10 0 ADAERN C[C@H](NC(N)=O)c1cccs1 35149366 343129018 /nfs/dbraw/zinc/12/90/18/343129018.db2.gz GZCWIHYWSDDWHH-YFKPBYRVSA-N 0 0 170.237 1.477 10 0 ADAERN NC(=O)N1CCC[C@@H]2CCCC[C@H]21 35175440 343129186 /nfs/dbraw/zinc/12/91/86/343129186.db2.gz RNMJOOFMHKSWBN-DTWKUNHWSA-N 0 0 182.267 1.720 10 0 ADAERN NC(=O)N1CCC[C@H]2CCCC[C@H]21 35175445 343129229 /nfs/dbraw/zinc/12/92/29/343129229.db2.gz RNMJOOFMHKSWBN-RKDXNWHRSA-N 0 0 182.267 1.720 10 0 ADAERN NC(=O)N1CCC[C@H]2CCCC[C@@H]21 35175447 343129331 /nfs/dbraw/zinc/12/93/31/343129331.db2.gz RNMJOOFMHKSWBN-BDAKNGLRSA-N 0 0 182.267 1.720 10 0 ADAERN CN(C(N)=O)C1CCCCCC1 35175713 343129415 /nfs/dbraw/zinc/12/94/15/343129415.db2.gz BTJSUYUIPCAACT-UHFFFAOYSA-N 0 0 170.256 1.720 10 0 ADAERN NC(=O)N1CCC[C@@H]2CCCC[C@@H]21 35175442 343129536 /nfs/dbraw/zinc/12/95/36/343129536.db2.gz RNMJOOFMHKSWBN-IUCAKERBSA-N 0 0 182.267 1.720 10 0 ADAERN CC(C)N1C(=O)[C@H]2CCCCN2C1=O 35216725 343130290 /nfs/dbraw/zinc/13/02/90/343130290.db2.gz LWDAKEZSCDZCST-MRVPVSSYSA-N 0 0 196.250 1.212 10 0 ADAERN CN(C)CC(=O)c1ccc(F)cc1F 35224925 343130403 /nfs/dbraw/zinc/13/04/03/343130403.db2.gz JUNICBBFJYGHLV-UHFFFAOYSA-N 0 0 199.200 1.709 10 0 ADAERN C[C@H]1C[C@H]1c1nnc(N)s1 36870635 343151042 /nfs/dbraw/zinc/15/10/42/343151042.db2.gz DWTQGHHNMKPSNU-IUYQGCFVSA-N 0 0 155.226 1.244 10 0 ADAERN C[C@H](Nc1ncccn1)[C@H]1CCCO1 35216704 343130413 /nfs/dbraw/zinc/13/04/13/343130413.db2.gz CJHJQGFZRFKKNL-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H]1CC(=O)N2CCCC[C@H]2C1 35242018 343130455 /nfs/dbraw/zinc/13/04/55/343130455.db2.gz LXUBYJSNDHGKFV-IUCAKERBSA-N 0 0 167.252 1.797 10 0 ADAERN Cc1ccc2nc([C@H](N)CO)oc2c1 35279142 343131275 /nfs/dbraw/zinc/13/12/75/343131275.db2.gz APESMPNHGWQLHG-SSDOTTSWSA-N 0 0 192.218 1.128 10 0 ADAERN CCCCNC(=O)[C@H](C)SC 35307672 343131754 /nfs/dbraw/zinc/13/17/54/343131754.db2.gz FLPDFHGSUOLAAI-ZETCQYMHSA-N 0 0 175.297 1.654 10 0 ADAERN CCCCc1nc(C)c(C)c(=O)[nH]1 35287891 343131771 /nfs/dbraw/zinc/13/17/71/343131771.db2.gz MBWBVSYBENVYKI-UHFFFAOYSA-N 0 0 180.251 1.729 10 0 ADAERN CCCCNC(=O)[C@@H](C)SC 35307670 343131802 /nfs/dbraw/zinc/13/18/02/343131802.db2.gz FLPDFHGSUOLAAI-SSDOTTSWSA-N 0 0 175.297 1.654 10 0 ADAERN C[C@H]1CSC(NCC(F)(F)F)=N1 35294841 343131829 /nfs/dbraw/zinc/13/18/29/343131829.db2.gz WLIRIGVRTONCKV-BYPYZUCNSA-N 0 0 198.213 1.630 10 0 ADAERN CCCCc1nc(O)c(C)c(=O)[nH]1 35287871 343131881 /nfs/dbraw/zinc/13/18/81/343131881.db2.gz VEGAZKPNKFWIGN-UHFFFAOYSA-N 0 0 182.223 1.127 10 0 ADAERN Cc1noc(-c2c(N)cccc2F)n1 35306963 343131906 /nfs/dbraw/zinc/13/19/06/343131906.db2.gz PUJHVGLZIKHARX-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cc1ccccc1-c1cc(CO)[nH]n1 35323162 343132041 /nfs/dbraw/zinc/13/20/41/343132041.db2.gz JFCFZHQEWGFORF-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 in-vitro ADAERN Cc1ccc([C@H](N)c2cnn(C)c2)o1 35381517 343132107 /nfs/dbraw/zinc/13/21/07/343132107.db2.gz HMCNYGKPZSPWRW-SNVBAGLBSA-N 0 0 191.234 1.370 10 0 ADAERN Cc1nc2cc(O)c(N)cc2s1 35343005 343132152 /nfs/dbraw/zinc/13/21/52/343132152.db2.gz ZBOCNVCHRVGKIP-UHFFFAOYSA-N 0 0 180.232 1.893 10 0 ADAERN CCC(=O)N(C)Cc1ccccc1N 35360588 343132165 /nfs/dbraw/zinc/13/21/65/343132165.db2.gz ULRXGBIVPSYJQV-UHFFFAOYSA-N 0 0 192.262 1.637 10 0 ADAERN Cc1ccoc1[C@H](N)c1cnn(C)c1 35381544 343132217 /nfs/dbraw/zinc/13/22/17/343132217.db2.gz QKOYYSGOGRXWTK-SECBINFHSA-N 0 0 191.234 1.370 10 0 ADAERN CN(C)c1ccc2scnc2c1N 35344198 343132316 /nfs/dbraw/zinc/13/23/16/343132316.db2.gz HXFMLBFGGPZQIB-UHFFFAOYSA-N 0 0 193.275 1.945 10 0 ADAERN Cc1ccoc1[C@@H](N)c1cnn(C)c1 35381546 343132347 /nfs/dbraw/zinc/13/23/47/343132347.db2.gz QKOYYSGOGRXWTK-VIFPVBQESA-N 0 0 191.234 1.370 10 0 ADAERN CCc1noc([C@@H](N)CC)n1 35411463 343132905 /nfs/dbraw/zinc/13/29/05/343132905.db2.gz ONCZIONTZMXMMF-YFKPBYRVSA-N 0 0 155.201 1.042 10 0 ADAERN Cc1nc2cc(N)c(N)cc2s1 35342684 343132405 /nfs/dbraw/zinc/13/24/05/343132405.db2.gz MROFAQJYRDSJQO-UHFFFAOYSA-N 0 0 179.248 1.769 10 0 ADAERN Cc1ccc([C@@H](N)c2cnn(C)c2)o1 35381519 343132407 /nfs/dbraw/zinc/13/24/07/343132407.db2.gz HMCNYGKPZSPWRW-JTQLQIEISA-N 0 0 191.234 1.370 10 0 ADAERN CCc1noc([C@H](N)C(C)(C)C)n1 35411458 343132576 /nfs/dbraw/zinc/13/25/76/343132576.db2.gz KMPBVGRIXACBAU-ZETCQYMHSA-N 0 0 183.255 1.678 10 0 ADAERN CCCC[C@@H](N)c1nc(C)no1 35411467 343132684 /nfs/dbraw/zinc/13/26/84/343132684.db2.gz PKAQRQGODOVHJM-SSDOTTSWSA-N 0 0 169.228 1.568 10 0 ADAERN CCc1noc([C@@H](N)C(C)(C)C)n1 35411459 343132693 /nfs/dbraw/zinc/13/26/93/343132693.db2.gz KMPBVGRIXACBAU-SSDOTTSWSA-N 0 0 183.255 1.678 10 0 ADAERN CCCC[C@@H](N)c1nc(CC)no1 35411461 343132784 /nfs/dbraw/zinc/13/27/84/343132784.db2.gz XCMIPHXJJVWUSO-SSDOTTSWSA-N 0 0 183.255 1.822 10 0 ADAERN O=Cc1cccn1CC(F)(F)F 35431325 343132799 /nfs/dbraw/zinc/13/27/99/343132799.db2.gz PCMWENFCTAKTDD-UHFFFAOYSA-N 0 0 177.125 1.863 10 0 ADAERN CCCC[C@H](N)c1nc(C)no1 35411466 343132838 /nfs/dbraw/zinc/13/28/38/343132838.db2.gz PKAQRQGODOVHJM-ZETCQYMHSA-N 0 0 169.228 1.568 10 0 ADAERN CCCC[C@H](N)c1nc(CC)no1 35411460 343132875 /nfs/dbraw/zinc/13/28/75/343132875.db2.gz XCMIPHXJJVWUSO-ZETCQYMHSA-N 0 0 183.255 1.822 10 0 ADAERN CCc1noc([C@H](N)CC)n1 35411462 343132878 /nfs/dbraw/zinc/13/28/78/343132878.db2.gz ONCZIONTZMXMMF-RXMQYKEDSA-N 0 0 155.201 1.042 10 0 ADAERN C[C@H](O)C1(C)CC1 35598585 343132998 /nfs/dbraw/zinc/13/29/98/343132998.db2.gz DMQPCUMOKHCHSB-YFKPBYRVSA-N 0 0 100.161 1.167 10 0 ADAERN CCCCC/C=C\[C@@H](F)[C@H](O)CO 35575831 343133105 /nfs/dbraw/zinc/13/31/05/343133105.db2.gz BGKCEOULBYHZCO-ITMFEAPISA-N 0 0 190.258 1.814 10 0 ADAERN Cc1cc(N)nc(Cl)c1O 35569783 343133156 /nfs/dbraw/zinc/13/31/56/343133156.db2.gz XQNWIMRSXWNCCO-UHFFFAOYSA-N 0 0 158.588 1.331 10 0 ADAERN CC[C@@H](O)c1cccc(O)c1 35569975 343133184 /nfs/dbraw/zinc/13/31/84/343133184.db2.gz ZWEWBWNQZUJOIF-SECBINFHSA-N 0 0 152.193 1.836 10 0 ADAERN Cc1cc2ncc([C@@H](C)O)c(C)n2n1 35598602 343133237 /nfs/dbraw/zinc/13/32/37/343133237.db2.gz UZWQAQDOZRXXMO-MRVPVSSYSA-N 0 0 191.234 1.399 10 0 ADAERN CCC(=O)c1cc(C)ccn1 35569340 343133240 /nfs/dbraw/zinc/13/32/40/343133240.db2.gz OFTSDRMALRIGMV-UHFFFAOYSA-N 0 0 149.193 1.983 10 0 ADAERN CCCCC/C=C\[C@H](F)[C@H](O)CO 35575828 343133317 /nfs/dbraw/zinc/13/33/17/343133317.db2.gz BGKCEOULBYHZCO-SMWNKPDJSA-N 0 0 190.258 1.814 10 0 ADAERN Cc1ccc([C@H](C)O)c(O)c1 35598611 343133387 /nfs/dbraw/zinc/13/33/87/343133387.db2.gz DKQQKMKSPSBWJB-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN Cc1cc(N[C@H](C)CO)ccc1N 35600352 343133472 /nfs/dbraw/zinc/13/34/72/343133472.db2.gz PTPRUTBZNWGSRW-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN C[C@H](O)CNc1ccc(F)cc1N 35600272 343133514 /nfs/dbraw/zinc/13/35/14/343133514.db2.gz VGXUCSBGJSRCLI-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN Cc1cc(N[C@@H](C)CO)ccc1N 35600351 343133529 /nfs/dbraw/zinc/13/35/29/343133529.db2.gz PTPRUTBZNWGSRW-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN C[C@H](CO)Nc1ccccc1N 35600453 343133559 /nfs/dbraw/zinc/13/35/59/343133559.db2.gz AOVFCLOFCOOZCM-SSDOTTSWSA-N 0 0 166.224 1.062 10 0 ADAERN Cc1cc(N)ccc1NC[C@H](C)O 35600254 343133574 /nfs/dbraw/zinc/13/35/74/343133574.db2.gz VJDDXNATDMIIOT-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cc(N)ccc1N[C@@H](C)CO 35600380 343133584 /nfs/dbraw/zinc/13/35/84/343133584.db2.gz UHKAEAMZGRBDMX-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cc(NC[C@H](C)O)ccc1N 35600224 343133589 /nfs/dbraw/zinc/13/35/89/343133589.db2.gz CNQSMGJPBVWJLD-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN CC[C@H](CO)Nc1cccc(N)c1 35599960 343133604 /nfs/dbraw/zinc/13/36/04/343133604.db2.gz JBDVJUATINEDQG-SECBINFHSA-N 0 0 180.251 1.452 10 0 ADAERN CC[C@@H](CO)Nc1ccc(N)c(C)c1 35599912 343133646 /nfs/dbraw/zinc/13/36/46/343133646.db2.gz YSCKQCVEXXWNGG-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN Cc1ccc(N[C@@H](C)CO)c(N)c1 35600377 343133675 /nfs/dbraw/zinc/13/36/75/343133675.db2.gz HIGSWMLNYJQOEA-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN CC[C@@H](CO)Nc1ccc(N)cc1C 35599946 343133689 /nfs/dbraw/zinc/13/36/89/343133689.db2.gz DYBWUXCYQNOXRX-JTQLQIEISA-N 0 0 194.278 1.760 10 0 ADAERN CC[C@H](CO)Nc1ccc(N)c(C)c1 35599913 343133724 /nfs/dbraw/zinc/13/37/24/343133724.db2.gz YSCKQCVEXXWNGG-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1ccc(NC[C@H](C)O)c(N)c1 35600252 343133730 /nfs/dbraw/zinc/13/37/30/343133730.db2.gz GLPJXPGOFDPLDK-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cc(NC(C)(C)CO)ccc1N 35600026 343133737 /nfs/dbraw/zinc/13/37/37/343133737.db2.gz BYUZONXOPFLCQQ-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1cc(N)ccc1NC[C@@H](C)O 35600253 343133752 /nfs/dbraw/zinc/13/37/52/343133752.db2.gz VJDDXNATDMIIOT-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cc(NC[C@@H](C)O)ccc1N 35600222 343133799 /nfs/dbraw/zinc/13/37/99/343133799.db2.gz CNQSMGJPBVWJLD-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(NC[C@@H](C)O)c(N)c1 35600250 343133819 /nfs/dbraw/zinc/13/38/19/343133819.db2.gz GLPJXPGOFDPLDK-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN C[C@H](CO)Nc1ccc(N)cc1F 35600395 343133848 /nfs/dbraw/zinc/13/38/48/343133848.db2.gz IKTWEMXEWAZUKY-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN CC[C@@H](CO)Nc1cccc(N)c1 35599958 343133861 /nfs/dbraw/zinc/13/38/61/343133861.db2.gz JBDVJUATINEDQG-VIFPVBQESA-N 0 0 180.251 1.452 10 0 ADAERN CC[C@H](CO)Nc1ccc(C)cn1 35606437 343134470 /nfs/dbraw/zinc/13/44/70/343134470.db2.gz NJHRRDUKESZEOM-SECBINFHSA-N 0 0 180.251 1.573 10 0 ADAERN Cc1csc(N[C@@H](C)CO)n1 35606964 343134493 /nfs/dbraw/zinc/13/44/93/343134493.db2.gz UFEDHSZVYPBZPA-YFKPBYRVSA-N 0 0 172.253 1.244 10 0 ADAERN Cc1csc(NC[C@@H](C)O)n1 35606744 343134542 /nfs/dbraw/zinc/13/45/42/343134542.db2.gz IEYSEKPYVRFKHC-ZCFIWIBFSA-N 0 0 172.253 1.244 10 0 ADAERN Cc1ccc(N[C@@H](C)CO)nc1 35606945 343134675 /nfs/dbraw/zinc/13/46/75/343134675.db2.gz UYKUQOXGUNNULR-QMMMGPOBSA-N 0 0 166.224 1.183 10 0 ADAERN Cc1csc(NC[C@H](C)O)n1 35606745 343134711 /nfs/dbraw/zinc/13/47/11/343134711.db2.gz IEYSEKPYVRFKHC-LURJTMIESA-N 0 0 172.253 1.244 10 0 ADAERN Cc1ccc(NC[C@H](C)O)nc1 35606739 343134723 /nfs/dbraw/zinc/13/47/23/343134723.db2.gz TYUKWIIFEKCQHZ-QMMMGPOBSA-N 0 0 166.224 1.183 10 0 ADAERN Cc1csc(N[C@H](C)CO)n1 35606966 343134739 /nfs/dbraw/zinc/13/47/39/343134739.db2.gz UFEDHSZVYPBZPA-RXMQYKEDSA-N 0 0 172.253 1.244 10 0 ADAERN Cc1ccc(NC[C@@H](C)O)nc1 35606738 343134786 /nfs/dbraw/zinc/13/47/86/343134786.db2.gz TYUKWIIFEKCQHZ-MRVPVSSYSA-N 0 0 166.224 1.183 10 0 ADAERN C[C@H](O)c1ccc(NC(N)=O)cc1 35647121 343135123 /nfs/dbraw/zinc/13/51/23/343135123.db2.gz GMPMBOPZHAFGEO-LURJTMIESA-N 0 0 180.207 1.231 10 0 ADAERN Cc1c(N)cccc1Cn1cccn1 35649176 343135129 /nfs/dbraw/zinc/13/51/29/343135129.db2.gz UXBSRLOUUDFIQE-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN C[C@H](O)c1ccccc1NC(N)=O 35647280 343135133 /nfs/dbraw/zinc/13/51/33/343135133.db2.gz MTCCTKBKJZIQCG-LURJTMIESA-N 0 0 180.207 1.231 10 0 ADAERN Cc1c(N)cccc1Cn1ccnc1 35649180 343135167 /nfs/dbraw/zinc/13/51/67/343135167.db2.gz NYAOZWCGRTZXQN-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN CCCNC(=O)c1cc(N)ccc1F 35651220 343135558 /nfs/dbraw/zinc/13/55/58/343135558.db2.gz PBXKEMOOOCJYTQ-UHFFFAOYSA-N 0 0 196.225 1.548 10 0 ADAERN COc1ccccc1OCCCCO 35650251 343135630 /nfs/dbraw/zinc/13/56/30/343135630.db2.gz MXTJUZSYGIDRQL-UHFFFAOYSA-N 0 0 196.246 1.847 10 0 ADAERN CCc1cccc2c1OCC2=O 35652515 343135721 /nfs/dbraw/zinc/13/57/21/343135721.db2.gz ANAXUJNUSSFWNZ-UHFFFAOYSA-N 0 0 162.188 1.824 10 0 ADAERN Cc1cc(C=O)nc(C=O)c1 35653867 343136030 /nfs/dbraw/zinc/13/60/30/343136030.db2.gz IDHCSGVUFOFZJT-UHFFFAOYSA-N 0 0 149.149 1.015 10 0 ADAERN Cc1cc[n+]([O-])c(Br)c1 35653803 343136061 /nfs/dbraw/zinc/13/60/61/343136061.db2.gz BHSUPBRWFOHJDW-UHFFFAOYSA-N 0 0 188.024 1.391 10 0 ADAERN CN(C)C(=O)c1cc(=S)cc[nH]1 35672728 343136213 /nfs/dbraw/zinc/13/62/13/343136213.db2.gz MVUCESVCZJXRJF-UHFFFAOYSA-N 0 0 182.248 1.072 10 0 ADAERN CC(C)Oc1ccc(N)c2nonc12 35675924 343136675 /nfs/dbraw/zinc/13/66/75/343136675.db2.gz BWPNNMVQWFUJSW-UHFFFAOYSA-N 0 0 193.206 1.592 10 0 ADAERN CC(C)Nc1ccnc(C(N)=O)c1 35673241 343136753 /nfs/dbraw/zinc/13/67/53/343136753.db2.gz IDWPNIKHQDVLOV-UHFFFAOYSA-N 0 0 179.223 1.001 10 0 ADAERN CNC(=O)c1cc(=S)cc[nH]1 35673557 343136814 /nfs/dbraw/zinc/13/68/14/343136814.db2.gz ZWDRUDFIGCWJJN-UHFFFAOYSA-N 0 0 168.221 1.104 10 0 ADAERN CN(Cc1cccs1)C(N)=S 35717235 343137095 /nfs/dbraw/zinc/13/70/95/343137095.db2.gz IWWLIIWFFOOKRR-UHFFFAOYSA-N 0 0 186.305 1.424 10 0 ADAERN C[C@H](c1ccncc1)N1CCC(=O)C1 35693469 343137110 /nfs/dbraw/zinc/13/71/10/343137110.db2.gz VWVSXDVMZONJKT-SECBINFHSA-N 0 0 190.246 1.417 10 0 ADAERN Cc1ccccc1-n1cc(N)cn1 35728319 343137239 /nfs/dbraw/zinc/13/72/39/343137239.db2.gz GGBFEPYSTVPMGD-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN C[C@H](c1ccccn1)N1CCC(=O)C1 35694825 343137293 /nfs/dbraw/zinc/13/72/93/343137293.db2.gz ORVMUEGVJISVEA-SECBINFHSA-N 0 0 190.246 1.417 10 0 ADAERN CN(Cc1ccsc1)C(N)=S 35719176 343137379 /nfs/dbraw/zinc/13/73/79/343137379.db2.gz BCZVLNIQGBKXOR-UHFFFAOYSA-N 0 0 186.305 1.424 10 0 ADAERN C[C@H](Nc1ccc(N)nc1)C1CC1 35733446 343137412 /nfs/dbraw/zinc/13/74/12/343137412.db2.gz YPIXNJMAANQBHH-ZETCQYMHSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1ccc(F)c2[nH]ccc(=O)c12 35731126 343137425 /nfs/dbraw/zinc/13/74/25/343137425.db2.gz ZAXHWKATWTUIMW-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN C[C@H](Nc1ccc(N)cn1)C1CC1 35733464 343137430 /nfs/dbraw/zinc/13/74/30/343137430.db2.gz NXROCDKNILRSPF-ZETCQYMHSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1ccccc1/C=C/S(N)(=O)=O 35731506 343137656 /nfs/dbraw/zinc/13/76/56/343137656.db2.gz YJKHPVDVAXJMAH-VOTSOKGWSA-N 0 0 197.259 1.254 10 0 ADAERN CC1=CC(=O)N([C@H](C)C2CC2)C1=O 35733759 343137671 /nfs/dbraw/zinc/13/76/71/343137671.db2.gz PBPDWUMBSQXCDE-SSDOTTSWSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@H](C1CC1)N1CCC(=O)C1 35733631 343137675 /nfs/dbraw/zinc/13/76/75/343137675.db2.gz DQISULWWCQPMCT-SSDOTTSWSA-N 0 0 153.225 1.060 10 0 ADAERN C[C@H](C1CC1)n1cn[nH]c1=S 35733935 343137694 /nfs/dbraw/zinc/13/76/94/343137694.db2.gz VMSKDDLMJFRDRR-RXMQYKEDSA-N 0 0 169.253 1.912 10 0 ADAERN C[C@H](Nc1ncccc1N)C1CC1 35733456 343137736 /nfs/dbraw/zinc/13/77/36/343137736.db2.gz GDIHSSUTUPKFME-ZETCQYMHSA-N 0 0 177.251 1.874 10 0 ADAERN CC1=CC(=O)N([C@@H](C)C2CC2)C1=O 35733758 343137773 /nfs/dbraw/zinc/13/77/73/343137773.db2.gz PBPDWUMBSQXCDE-ZETCQYMHSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@H](NC(=O)n1ccnc1)C1CC1 35734152 343137749 /nfs/dbraw/zinc/13/77/49/343137749.db2.gz PNVDKIMQHVFJTD-ZETCQYMHSA-N 0 0 179.223 1.239 10 0 ADAERN C[C@H](c1ccco1)N1C(=O)C=CC1=O 35739433 343138180 /nfs/dbraw/zinc/13/81/80/343138180.db2.gz APRRLYJFOKWCJB-SSDOTTSWSA-N 0 0 191.186 1.266 10 0 ADAERN C[C@H](NC(N)=S)c1ccco1 35739368 343138183 /nfs/dbraw/zinc/13/81/83/343138183.db2.gz OTZZRFIISFWLOG-YFKPBYRVSA-N 0 0 170.237 1.174 10 0 ADAERN C[C@H]1C[C@@H](C)C[N@H+]([C@@H](C)CC(=O)[O-])C1 35750862 343138315 /nfs/dbraw/zinc/13/83/15/343138315.db2.gz MACGQFJGSBDWNS-AEJSXWLSSA-N 0 0 199.294 1.828 10 0 ADAERN COC(=O)[C@H](C)Cn1nc(C)cc1C 35756755 343138327 /nfs/dbraw/zinc/13/83/27/343138327.db2.gz DMJIEBNPPBQEMR-SSDOTTSWSA-N 0 0 196.250 1.309 10 0 ADAERN COC(=O)[C@@H](C)Cn1nc(C)cc1C 35756757 343138389 /nfs/dbraw/zinc/13/83/89/343138389.db2.gz DMJIEBNPPBQEMR-ZETCQYMHSA-N 0 0 196.250 1.309 10 0 ADAERN C[C@H](C[NH+]1CCCCCCC1)C(=O)[O-] 35759470 343138455 /nfs/dbraw/zinc/13/84/55/343138455.db2.gz HAECIPAPPDXTLV-SNVBAGLBSA-N 0 0 199.294 1.973 10 0 ADAERN C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)C(=O)[O-])C1 35759234 343138509 /nfs/dbraw/zinc/13/85/09/343138509.db2.gz KTBKCUFBAYJHQZ-KXUCPTDWSA-N 0 0 199.294 1.685 10 0 ADAERN COC(=O)[C@@H](C)COc1ccccc1 35754295 343138524 /nfs/dbraw/zinc/13/85/24/343138524.db2.gz YVILSYSFITYLEI-VIFPVBQESA-N 0 0 194.230 1.875 10 0 ADAERN COC(=O)[C@H](C)COc1ccccc1 35754296 343138577 /nfs/dbraw/zinc/13/85/77/343138577.db2.gz YVILSYSFITYLEI-SECBINFHSA-N 0 0 194.230 1.875 10 0 ADAERN CCCCNC(=O)Nc1cn[nH]c1 35764546 343138687 /nfs/dbraw/zinc/13/86/87/343138687.db2.gz WWGICZGMANNINW-UHFFFAOYSA-N 0 0 182.227 1.331 10 0 ADAERN CCCCNc1cn[nH]c1 35763765 343138709 /nfs/dbraw/zinc/13/87/09/343138709.db2.gz PJPAFKGPNAMBJM-UHFFFAOYSA-N 0 0 139.202 1.622 10 0 ADAERN CC[C@H](C)Nc1cn[nH]c1 35763750 343138774 /nfs/dbraw/zinc/13/87/74/343138774.db2.gz JGNJFANESLJARQ-LURJTMIESA-N 0 0 139.202 1.620 10 0 ADAERN CC(C)Nc1cn[nH]c1 35763876 343138780 /nfs/dbraw/zinc/13/87/80/343138780.db2.gz LWEOWGDGVBDVLE-UHFFFAOYSA-N 0 0 125.175 1.230 10 0 ADAERN CC(C)[C@H](C)Nc1cn[nH]c1 35763894 343138896 /nfs/dbraw/zinc/13/88/96/343138896.db2.gz FSZGWIMTKIIMHC-ZETCQYMHSA-N 0 0 153.229 1.866 10 0 ADAERN Cc1nc(CNc2cn[nH]c2)cs1 35763596 343138867 /nfs/dbraw/zinc/13/88/67/343138867.db2.gz OIKOWJPSTLPRQI-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN C[C@H](Nc1cn[nH]c1)C1CC1 35763919 343138870 /nfs/dbraw/zinc/13/88/70/343138870.db2.gz IWQWOZNDKQLCLM-LURJTMIESA-N 0 0 151.213 1.620 10 0 ADAERN C[C@H](Nc1cn[nH]c1)c1cccnc1 35763940 343138887 /nfs/dbraw/zinc/13/88/87/343138887.db2.gz ONVKEKXKQXXWMF-QMMMGPOBSA-N 0 0 188.234 1.978 10 0 ADAERN Cc1cc(C=O)c(C)n1-c1cn[nH]c1 35764183 343139048 /nfs/dbraw/zinc/13/90/48/343139048.db2.gz YWSKAPRWCAXWAZ-UHFFFAOYSA-N 0 0 189.218 1.630 10 0 ADAERN Cc1ccc(Nc2cnn(C)c2)nc1 35781678 343139286 /nfs/dbraw/zinc/13/92/86/343139286.db2.gz UFCKBCUUUZSNKC-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN CCn1cc(-n2cc[nH]c2=S)cn1 35781748 343139300 /nfs/dbraw/zinc/13/93/00/343139300.db2.gz DDCOIGVRPQMWBV-UHFFFAOYSA-N 0 0 194.263 1.751 10 0 ADAERN CCn1cc(N2CCC(=O)CC2)cn1 35781160 343139377 /nfs/dbraw/zinc/13/93/77/343139377.db2.gz RIHAYXGXCJGKCF-UHFFFAOYSA-N 0 0 193.250 1.072 10 0 ADAERN Cc1csc(Nc2cnn(C)c2)n1 35781688 343139397 /nfs/dbraw/zinc/13/93/97/343139397.db2.gz PPHNGKUIIRHYBB-UHFFFAOYSA-N 0 0 194.263 1.929 10 0 ADAERN CCn1cc(NC[C@H]2CCOC2)cn1 35780343 343139460 /nfs/dbraw/zinc/13/94/60/343139460.db2.gz BFKVCKKUFOLJRJ-SECBINFHSA-N 0 0 195.266 1.351 10 0 ADAERN CSCCC(=O)NCc1ccco1 35837354 343139579 /nfs/dbraw/zinc/13/95/79/343139579.db2.gz CLLRRVVHEKCFCC-UHFFFAOYSA-N 0 0 199.275 1.649 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](C)C(=O)N2 35837214 343139592 /nfs/dbraw/zinc/13/95/92/343139592.db2.gz WNRMUMDXZAMAGV-ZETCQYMHSA-N 0 0 176.219 1.748 10 0 ADAERN COCc1scnc1C 35837137 343139604 /nfs/dbraw/zinc/13/96/04/343139604.db2.gz MFEUJZJXIZFGPH-UHFFFAOYSA-N 0 0 143.211 1.598 10 0 ADAERN CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2C1=O 35803536 343139670 /nfs/dbraw/zinc/13/96/70/343139670.db2.gz VBGQOUJGLIUFMW-RNFRBKRXSA-N 0 0 197.234 1.400 10 0 ADAERN Cc1ccc(C)n1[C@@H](C)C(N)=O 35797161 343139716 /nfs/dbraw/zinc/13/97/16/343139716.db2.gz CUQGKAKTGOONAX-QMMMGPOBSA-N 0 0 166.224 1.151 10 0 ADAERN C[C@H](Nc1ccc(Cl)cn1)C(N)=O 35795786 343139759 /nfs/dbraw/zinc/13/97/59/343139759.db2.gz VRWFIJYXCCWDLY-YFKPBYRVSA-N 0 0 199.641 1.021 10 0 ADAERN Cc1ccc2c(c1)N[C@H](C)C(=O)N2 35837213 343139773 /nfs/dbraw/zinc/13/97/73/343139773.db2.gz WNRMUMDXZAMAGV-SSDOTTSWSA-N 0 0 176.219 1.748 10 0 ADAERN CC(C)c1nnc2ccc(C=O)cn12 35837297 343139846 /nfs/dbraw/zinc/13/98/46/343139846.db2.gz NSYUIEIIQDSMID-UHFFFAOYSA-N 0 0 189.218 1.665 10 0 ADAERN CCOC(=O)C=C=C(C)C 35837134 343139847 /nfs/dbraw/zinc/13/98/47/343139847.db2.gz GJMYIYGSKQNWBO-UHFFFAOYSA-N 0 0 140.182 1.671 10 0 ADAERN CC(=O)N1CC(C)(C)C[C@@H]1C 35986259 343139917 /nfs/dbraw/zinc/13/99/17/343139917.db2.gz LGPZECYQYNTRFG-ZETCQYMHSA-N 0 0 155.241 1.653 10 0 ADAERN CCN(C)C(=O)c1cc(C)nn1CC 35956217 343139943 /nfs/dbraw/zinc/13/99/43/343139943.db2.gz LPGROZXJKLDDLR-UHFFFAOYSA-N 0 0 195.266 1.303 10 0 ADAERN Cc1nnc(-c2ccncc2)n1C 35904593 343140076 /nfs/dbraw/zinc/14/00/76/343140076.db2.gz VLKHAWMBWUTNQU-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN CC(=O)N1CC(C)(C)C[C@H]1C 35986258 343140103 /nfs/dbraw/zinc/14/01/03/343140103.db2.gz LGPZECYQYNTRFG-SSDOTTSWSA-N 0 0 155.241 1.653 10 0 ADAERN CCCC(=O)CP(=O)(OC)OC 35962432 343140104 /nfs/dbraw/zinc/14/01/04/343140104.db2.gz OQXQVUGMNUESFL-UHFFFAOYSA-N 0 0 194.167 1.842 10 0 ADAERN C[C@H](CC(N)=O)Nc1ccccc1 35975715 343140150 /nfs/dbraw/zinc/14/01/50/343140150.db2.gz IJNBFMZSPCADQS-MRVPVSSYSA-N 0 0 178.235 1.362 10 0 ADAERN Oc1ccc(CF)cc1 35962162 343140158 /nfs/dbraw/zinc/14/01/58/343140158.db2.gz HTYDXVJLNUOSGR-UHFFFAOYSA-N 0 0 126.130 1.862 10 0 in-vitro ADAERN Cc1coc(C)c1C=O 36047151 343140299 /nfs/dbraw/zinc/14/02/99/343140299.db2.gz MGSAYHDYMMHZQE-UHFFFAOYSA-N 0 0 124.139 1.709 10 0 in-vitro ADAERN CCC(=O)N1C[C@@H](C)OCC1(C)C 36102278 343140524 /nfs/dbraw/zinc/14/05/24/343140524.db2.gz BRYQJROCLMYSIS-MRVPVSSYSA-N 0 0 185.267 1.422 10 0 ADAERN Cc1[nH]cnc1-c1ccc(N)cc1 36155395 343140664 /nfs/dbraw/zinc/14/06/64/343140664.db2.gz ZHOYVFPSBCXAGM-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CN1CCO[C@@H](c2ccc(N)cc2)C1 36154833 343140764 /nfs/dbraw/zinc/14/07/64/343140764.db2.gz CRABKEIJDAJEON-LLVKDONJSA-N 0 0 192.262 1.272 10 0 ADAERN Cc1cc(C)c(C(=O)CN)c(C)c1 36156311 343140791 /nfs/dbraw/zinc/14/07/91/343140791.db2.gz PFECWDZSQAACGJ-UHFFFAOYSA-N 0 0 177.247 1.753 10 0 ADAERN Cc1nc(-c2ccc(N)cc2)c[nH]1 36155390 343140883 /nfs/dbraw/zinc/14/08/83/343140883.db2.gz QMXJGQJISYVTAH-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN C[C@H](N)C(=O)c1ccc(Cl)s1 36156563 343140889 /nfs/dbraw/zinc/14/08/89/343140889.db2.gz KDPSTTFSFCKVEF-BYPYZUCNSA-N 0 0 189.667 1.931 10 0 ADAERN CN1CCO[C@H](c2ccc(N)cc2)C1 36154831 343140936 /nfs/dbraw/zinc/14/09/36/343140936.db2.gz CRABKEIJDAJEON-NSHDSACASA-N 0 0 192.262 1.272 10 0 ADAERN Cc1[nH]cnc1-c1cccc(N)c1 36155401 343140954 /nfs/dbraw/zinc/14/09/54/343140954.db2.gz GZBUOJPEUXCGKQ-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CC(C)[C@H](C)NC(=O)c1cn[nH]c1 36165717 343141140 /nfs/dbraw/zinc/14/11/40/343141140.db2.gz HFRDBGXFFSFLIV-ZETCQYMHSA-N 0 0 181.239 1.184 10 0 ADAERN CC[C@@H]1CCCN(C(N)=S)C1 36169384 343141215 /nfs/dbraw/zinc/14/12/15/343141215.db2.gz MGZVEOOIEXXZSZ-SSDOTTSWSA-N 0 0 172.297 1.352 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)N1CCCC1 36164730 343141242 /nfs/dbraw/zinc/14/12/42/343141242.db2.gz PABLTMFMSYIBIC-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CC[C@@H]1CCCN(C(N)=O)C1 36169408 343141280 /nfs/dbraw/zinc/14/12/80/343141280.db2.gz ASMFLXGMHSVKOX-SSDOTTSWSA-N 0 0 156.229 1.187 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)N(C)C1CC1 36166856 343141325 /nfs/dbraw/zinc/14/13/25/343141325.db2.gz CZLPOGWADRRUQZ-UHFFFAOYSA-N 0 0 193.250 1.261 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)NC(C)C 36164817 343141361 /nfs/dbraw/zinc/14/13/61/343141361.db2.gz RFSDYIXDOCSJHO-UHFFFAOYSA-N 0 0 181.239 1.165 10 0 ADAERN CC[C@H]1CCCN(C(N)=S)C1 36169385 343141437 /nfs/dbraw/zinc/14/14/37/343141437.db2.gz MGZVEOOIEXXZSZ-ZETCQYMHSA-N 0 0 172.297 1.352 10 0 ADAERN Cc1ccc(N)c2nccn12 36226500 343142030 /nfs/dbraw/zinc/14/20/30/343142030.db2.gz GNEOSMWYSNIOFF-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN C[C@H]1Nc2ccccc2OC1=O 36258975 343142680 /nfs/dbraw/zinc/14/26/80/343142680.db2.gz QKXXBIFQENFWPM-ZCFIWIBFSA-N 0 0 163.176 1.406 10 0 ADAERN Cc1cc(N)cnc1N1CCCC1 36241571 343142735 /nfs/dbraw/zinc/14/27/35/343142735.db2.gz HLLQRPYUSMHTND-UHFFFAOYSA-N 0 0 177.251 1.572 10 0 ADAERN Cc1nc2sc3c(n2c1N)CCC3 36290619 343143226 /nfs/dbraw/zinc/14/32/26/343143226.db2.gz BKODUYPYZBWCPD-UHFFFAOYSA-N 0 0 193.275 1.775 10 0 ADAERN CCc1cnc2cc(CO)ccn12 36274037 343143339 /nfs/dbraw/zinc/14/33/39/343143339.db2.gz LTTONKQVKWSSTJ-UHFFFAOYSA-N 0 0 176.219 1.389 10 0 ADAERN Cc1n[nH]c(=S)n1C1CCOCC1 36320102 343143859 /nfs/dbraw/zinc/14/38/59/343143859.db2.gz CJGNZIBWXJKDRR-UHFFFAOYSA-N 0 0 199.279 1.601 10 0 ADAERN CN(C)c1ccc(NCCO)cc1 36335516 343144435 /nfs/dbraw/zinc/14/44/35/343144435.db2.gz DUMYZASYTUXZPC-UHFFFAOYSA-N 0 0 180.251 1.157 10 0 ADAERN C=CC(=O)N(C)CCCCC 36334844 343144517 /nfs/dbraw/zinc/14/45/17/343144517.db2.gz IORDHMWTTSIBON-UHFFFAOYSA-N 0 0 155.241 1.821 10 0 ADAERN Cc1nnc(-c2c(C)cccc2N)o1 36335834 343144573 /nfs/dbraw/zinc/14/45/73/343144573.db2.gz DODPBONOYGNBEB-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1nnc(-c2cccc(C)c2N)o1 36335833 343144595 /nfs/dbraw/zinc/14/45/95/343144595.db2.gz SNXFTHFWLFHPNU-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN C=C(F)C[C@@H](N)C(=O)OC(C)(C)C 36404629 343144772 /nfs/dbraw/zinc/14/47/72/343144772.db2.gz CIKIRIDCKNPYQV-SSDOTTSWSA-N 0 0 189.230 1.529 10 0 ADAERN CN(C)[C@H](O)c1ccccc1 36399552 343144819 /nfs/dbraw/zinc/14/48/19/343144819.db2.gz GALLYJPJRSKTMN-SECBINFHSA-N 0 0 151.209 1.239 10 0 ADAERN CC(C)CCSCCOCCO 36404708 343144857 /nfs/dbraw/zinc/14/48/57/343144857.db2.gz DLAJYKDZIXRCKS-UHFFFAOYSA-N 0 0 192.324 1.775 10 0 ADAERN CC(=O)[C@H]1C[C@@H](CCO)C1(C)C 36404340 343144876 /nfs/dbraw/zinc/14/48/76/343144876.db2.gz APCHSCKWXSUOQE-RKDXNWHRSA-N 0 0 170.252 1.620 10 0 ADAERN CN(C)[C@@H](O)c1ccccc1 36399553 343144980 /nfs/dbraw/zinc/14/49/80/343144980.db2.gz GALLYJPJRSKTMN-VIFPVBQESA-N 0 0 151.209 1.239 10 0 ADAERN OC/C=C/Cc1ccccc1 36404084 343144997 /nfs/dbraw/zinc/14/49/97/343144997.db2.gz VNDHSAYSKPVHPA-SNAWJCMRSA-N 0 0 148.205 1.778 10 0 ADAERN Nc1c(F)c(F)c(C=O)c(F)c1F 36404710 343145015 /nfs/dbraw/zinc/14/50/15/343145015.db2.gz YZNRZCYDBHTQMN-UHFFFAOYSA-N 0 0 193.099 1.638 10 0 ADAERN CCOC(=O)C1=CCC[C@H]1OC(C)=O 36404823 343145031 /nfs/dbraw/zinc/14/50/31/343145031.db2.gz ZRBIIJNQSLHRAQ-SECBINFHSA-N 0 0 198.218 1.201 10 0 ADAERN C=C(OCCO)c1ccccc1 36436877 343145177 /nfs/dbraw/zinc/14/51/77/343145177.db2.gz YVCOQLMXGCLCMG-UHFFFAOYSA-N 0 0 164.204 1.666 10 0 ADAERN C1=C[C@H]2C[C@@H]1[C@@H]1S[C@@H]12 36419603 343145190 /nfs/dbraw/zinc/14/51/90/343145190.db2.gz CQKLFCPJZDLSFW-RNGGSSJXSA-N 0 0 124.208 1.676 10 0 ADAERN Cc1noc(OCc2ccccc2)n1 36420273 343145222 /nfs/dbraw/zinc/14/52/22/343145222.db2.gz OITWGDSLDHJHFD-UHFFFAOYSA-N 0 0 190.202 1.957 10 0 ADAERN COCc1ccccc1 36420108 343145238 /nfs/dbraw/zinc/14/52/38/343145238.db2.gz UXCRIRVJDCCZNT-UHFFFAOYSA-N 0 0 121.159 1.995 10 0 ADAERN CCCCNC(C)=CC(=O)OCC 36437062 343145244 /nfs/dbraw/zinc/14/52/44/343145244.db2.gz IFKSUXQHAOSFCH-HJWRWDBZSA-N 0 0 185.267 1.843 10 0 ADAERN COC(=O)[C@H](C)/N=C/c1ccco1 36420109 343145275 /nfs/dbraw/zinc/14/52/75/343145275.db2.gz DPFAIDQISXIAJD-FSEMZKDTSA-N 0 0 181.191 1.260 10 0 ADAERN C[C@H](CO)OC(C)(C)C 36419637 343145277 /nfs/dbraw/zinc/14/52/77/343145277.db2.gz GIWJLGYZXWVBDL-ZCFIWIBFSA-N 0 0 132.203 1.182 10 0 in-vitro ADAERN C[C@H](CO)[C@H](O)c1ccccc1 36419869 343145313 /nfs/dbraw/zinc/14/53/13/343145313.db2.gz HOZWNKKVYXPKSI-SCZZXKLOSA-N 0 0 166.220 1.348 10 0 ADAERN CCCCCOC[C@@H](C)O 36436784 343145327 /nfs/dbraw/zinc/14/53/27/343145327.db2.gz MQVBKQCAXKLACB-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN CC(C)O[C@H]1C=CC[C@H](CO)O1 36436946 343145344 /nfs/dbraw/zinc/14/53/44/343145344.db2.gz ATAXEOBATHQBJC-RKDXNWHRSA-N 0 0 172.224 1.075 10 0 ADAERN c1ccc([C@@H]2O[C@H]3CCO[C@H]32)cc1 36438117 343145435 /nfs/dbraw/zinc/14/54/35/343145435.db2.gz PAAWOMSOXYYIPD-GARJFASQSA-N 0 0 176.215 1.915 10 0 ADAERN OC[C@H]1C[C@H]1COCc1ccccc1 36448442 343145438 /nfs/dbraw/zinc/14/54/38/343145438.db2.gz QXASXPPLOQNMOY-NEPJUHHUSA-N 0 0 192.258 1.832 10 0 ADAERN COc1cc(C)c2c(c1)C(=O)OC2 36438150 343145498 /nfs/dbraw/zinc/14/54/98/343145498.db2.gz OPEXUEDTADQGTB-UHFFFAOYSA-N 0 0 178.187 1.674 10 0 ADAERN CC[C@@H](O)C(=O)c1ccccc1 36437814 343145566 /nfs/dbraw/zinc/14/55/66/343145566.db2.gz FQKYTBQZPFRTDH-SECBINFHSA-N 0 0 164.204 1.640 10 0 ADAERN C[C@@](F)(CO)c1ccccc1 36447930 343145568 /nfs/dbraw/zinc/14/55/68/343145568.db2.gz SNILNSRRYODOMT-SECBINFHSA-N 0 0 154.184 1.864 10 0 ADAERN Nc1ccc(C(F)F)cc1N 36437756 343145582 /nfs/dbraw/zinc/14/55/82/343145582.db2.gz WLMYQPYCBIWZJR-UHFFFAOYSA-N 0 0 158.151 1.789 10 0 ADAERN C[C@H]1CCC[C@@H](CCO)O1 36447864 343145584 /nfs/dbraw/zinc/14/55/84/343145584.db2.gz ZMOZONOJLNYKRJ-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H]1C(=O)OCC[C@H]1C 36447772 343145596 /nfs/dbraw/zinc/14/55/96/343145596.db2.gz ANCHTJLAENBUPA-RITPCOANSA-N 0 0 128.171 1.206 10 0 ADAERN O=C1CCC[C@H]2C=CCCN12 36437681 343145599 /nfs/dbraw/zinc/14/55/99/343145599.db2.gz SAXKZHQOBBJTEZ-MRVPVSSYSA-N 0 0 151.209 1.327 10 0 ADAERN C[C@@H]1CCOC(=O)[C@@H]1C 36447771 343145649 /nfs/dbraw/zinc/14/56/49/343145649.db2.gz ANCHTJLAENBUPA-PHDIDXHHSA-N 0 0 128.171 1.206 10 0 ADAERN O=C1CCC[C@@H]2C=CCCN12 36437680 343145736 /nfs/dbraw/zinc/14/57/36/343145736.db2.gz SAXKZHQOBBJTEZ-QMMMGPOBSA-N 0 0 151.209 1.327 10 0 ADAERN Cc1cc2ncnn2nc1Cl 36448083 343145767 /nfs/dbraw/zinc/14/57/67/343145767.db2.gz XYGZNPKIOSSWBT-UHFFFAOYSA-N 0 0 168.587 1.086 10 0 ADAERN O=C1C[C@H](O)[C@H](c2ccccc2)O1 36455997 343145865 /nfs/dbraw/zinc/14/58/65/343145865.db2.gz QGCFDYVSLKBHCO-WPRPVWTQSA-N 0 0 178.187 1.036 10 0 ADAERN CCC1([C@H](C)O)CC1 36455541 343145868 /nfs/dbraw/zinc/14/58/68/343145868.db2.gz DMCKVRVZMQEBFW-LURJTMIESA-N 0 0 114.188 1.557 10 0 ADAERN COC(=O)/C=C1\CCC[C@H]1C 36458654 343145895 /nfs/dbraw/zinc/14/58/95/343145895.db2.gz DIWFHTIVTZYNQC-UQBZRGDZSA-N 0 0 154.209 1.906 10 0 ADAERN CCc1cc(O)c(OC)nc1C 36458812 343145906 /nfs/dbraw/zinc/14/59/06/343145906.db2.gz ZFMVSPBJNRSOMX-UHFFFAOYSA-N 0 0 167.208 1.667 10 0 ADAERN O=Cc1ccc([N+](=O)[O-])c(C=O)c1 36456014 343145931 /nfs/dbraw/zinc/14/59/31/343145931.db2.gz VCMQRSMEUMZFNS-UHFFFAOYSA-N 0 0 179.131 1.220 10 0 ADAERN C[C@@H](CC(N)=O)C(F)(F)F 36458676 343145934 /nfs/dbraw/zinc/14/59/34/343145934.db2.gz RXWSANZGHLWOLA-VKHMYHEASA-N 0 0 155.119 1.060 10 0 ADAERN C[C@H](CC(N)=O)C(F)(F)F 36458677 343145980 /nfs/dbraw/zinc/14/59/80/343145980.db2.gz RXWSANZGHLWOLA-GSVOUGTGSA-N 0 0 155.119 1.060 10 0 ADAERN CC[C@]1(C)CC(=O)CCO1 36455655 343146011 /nfs/dbraw/zinc/14/60/11/343146011.db2.gz WQZUIVSRYFAMPV-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN Cc1cccc(/C=C/S(N)(=O)=O)c1 36448543 343146017 /nfs/dbraw/zinc/14/60/17/343146017.db2.gz SKCUJEIMNMTRGU-AATRIKPKSA-N 0 0 197.259 1.254 10 0 ADAERN CCC(=O)N(C)c1ccccc1N 36459017 343146031 /nfs/dbraw/zinc/14/60/31/343146031.db2.gz INHBHUYKJITFKQ-UHFFFAOYSA-N 0 0 178.235 1.642 10 0 ADAERN CCC1([C@@H](C)O)CC1 36455540 343146095 /nfs/dbraw/zinc/14/60/95/343146095.db2.gz DMCKVRVZMQEBFW-ZCFIWIBFSA-N 0 0 114.188 1.557 10 0 ADAERN Cc1cc2c([nH]1)CCC2 36458513 343146097 /nfs/dbraw/zinc/14/60/97/343146097.db2.gz FPTVEBZXBUYUOW-UHFFFAOYSA-N 0 0 121.183 1.812 10 0 ADAERN CC(=O)[C@H](O)c1ccccc1F 36466433 343146310 /nfs/dbraw/zinc/14/63/10/343146310.db2.gz ZKROBGNCEPVJCN-VIFPVBQESA-N 0 0 168.167 1.448 10 0 ADAERN CC(C)(C)/C=C/CCO 36466095 343146311 /nfs/dbraw/zinc/14/63/11/343146311.db2.gz DCULKBZETKTADO-GQCTYLIASA-N 0 0 128.215 1.971 10 0 ADAERN C/C=C/CNC(=O)CCC 36466176 343146316 /nfs/dbraw/zinc/14/63/16/343146316.db2.gz YUGDPYASPVICBB-HWKANZROSA-N 0 0 141.214 1.479 10 0 ADAERN OCCC/C=C/CCCO 36489749 343146667 /nfs/dbraw/zinc/14/66/67/343146667.db2.gz IPOOKKJSFZYCSH-OWOJBTEDSA-N 0 0 144.214 1.088 10 0 ADAERN CCCCc1n[nH]c(=S)n1C 36644151 343146703 /nfs/dbraw/zinc/14/67/03/343146703.db2.gz BRKSVQJOGRURDN-UHFFFAOYSA-N 0 0 171.269 1.820 10 0 ADAERN CC#CC[C@H](C)C(=O)N(C)OC 36489760 343146904 /nfs/dbraw/zinc/14/69/04/343146904.db2.gz XHZUMQNTTUYHNH-QMMMGPOBSA-N 0 0 169.224 1.056 10 0 ADAERN CCOC(=O)CCOCC1CC1 36671048 343147306 /nfs/dbraw/zinc/14/73/06/343147306.db2.gz GUSWKCFVHCWRTR-UHFFFAOYSA-N 0 0 172.224 1.366 10 0 ADAERN CCN(C=O)c1cc(O)ccc1C 36723322 343148101 /nfs/dbraw/zinc/14/81/01/343148101.db2.gz FSPJNUCRLWRSKF-UHFFFAOYSA-N 0 0 179.219 1.683 10 0 ADAERN Cc1nc2ccc(N)cn2c1Cl 36683684 343148218 /nfs/dbraw/zinc/14/82/18/343148218.db2.gz QNOOEPPGBSQONJ-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN C[C@H]1C[C@H]([NH2+]CC(=O)[O-])CC(C)(C)C1 36722911 343148268 /nfs/dbraw/zinc/14/82/68/343148268.db2.gz UGFKQVCWCFRGSJ-IUCAKERBSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1nn(C)c(N[C@@H](C)C2CC2)c1N 36749413 343148489 /nfs/dbraw/zinc/14/84/89/343148489.db2.gz DOROFVRPMAKYQG-LURJTMIESA-N 0 0 194.282 1.521 10 0 ADAERN Cc1nn(C)c(N[C@@H](C)C(C)C)c1N 36749107 343148490 /nfs/dbraw/zinc/14/84/90/343148490.db2.gz IGYFFUPLLWNATL-ZETCQYMHSA-N 0 0 196.298 1.767 10 0 ADAERN Cc1nn(C)c(NCC(C)C)c1N 36749022 343148491 /nfs/dbraw/zinc/14/84/91/343148491.db2.gz VXVOHLPSMWSBFX-UHFFFAOYSA-N 0 0 182.271 1.379 10 0 ADAERN Cc1nn(C)c(N2CCCCC2)c1N 36748922 343148699 /nfs/dbraw/zinc/14/86/99/343148699.db2.gz KEQHWHAOLISCLX-UHFFFAOYSA-N 0 0 194.282 1.301 10 0 ADAERN Cc1ccc(N)c(NC(N)=O)c1C 36744046 343148501 /nfs/dbraw/zinc/14/85/01/343148501.db2.gz BZNSSVNNBAVYBM-UHFFFAOYSA-N 0 0 179.223 1.376 10 0 ADAERN CCC(CC)Nc1c(N)c(C)nn1C 36749023 343148528 /nfs/dbraw/zinc/14/85/28/343148528.db2.gz LDBIVUQAXKZOLJ-UHFFFAOYSA-N 0 0 196.298 1.911 10 0 ADAERN Cc1nn(C)c(NC(C)(C)C)c1N 36749114 343148530 /nfs/dbraw/zinc/14/85/30/343148530.db2.gz DBOTYBHLQDHMLL-UHFFFAOYSA-N 0 0 182.271 1.521 10 0 ADAERN CC[C@H](C)N(C)c1c(N)c(C)nn1C 36749306 343148535 /nfs/dbraw/zinc/14/85/35/343148535.db2.gz UAXSXSVOXYOORD-ZETCQYMHSA-N 0 0 196.298 1.545 10 0 ADAERN CC[C@H](C)Nc1c(N)c(C)nn1C 36749020 343148618 /nfs/dbraw/zinc/14/86/18/343148618.db2.gz JCAOEGMBCVWEDU-LURJTMIESA-N 0 0 182.271 1.521 10 0 ADAERN C[C@H](c1cccc(N)c1)N(C)C(N)=O 36743797 343148620 /nfs/dbraw/zinc/14/86/20/343148620.db2.gz IBZSZOMIKLUKPK-SSDOTTSWSA-N 0 0 193.250 1.340 10 0 ADAERN Cc1n[nH]c(C)c1N[C@@H]1CCSC1 36736170 343148637 /nfs/dbraw/zinc/14/86/37/343148637.db2.gz CNWITAYDGKFKQJ-MRVPVSSYSA-N 0 0 197.307 1.944 10 0 ADAERN Cc1nn(C)c(N[C@H](C)C(C)C)c1N 36749108 343148717 /nfs/dbraw/zinc/14/87/17/343148717.db2.gz IGYFFUPLLWNATL-SSDOTTSWSA-N 0 0 196.298 1.767 10 0 ADAERN Cc1nn(C)c(NCC2CC2)c1N 36749027 343148742 /nfs/dbraw/zinc/14/87/42/343148742.db2.gz ZEMUTRBTVGSXPY-UHFFFAOYSA-N 0 0 180.255 1.133 10 0 ADAERN Cc1n[nH]c(C)c1-n1cccc1 36736611 343148760 /nfs/dbraw/zinc/14/87/60/343148760.db2.gz LJAIEDJQISRNQJ-UHFFFAOYSA-N 0 0 161.208 1.817 10 0 ADAERN Cc1nn(C)c(N[C@H](C)C2CC2)c1N 36749414 343148771 /nfs/dbraw/zinc/14/87/71/343148771.db2.gz DOROFVRPMAKYQG-ZCFIWIBFSA-N 0 0 194.282 1.521 10 0 ADAERN Cc1nn(C)c(NCCC(C)C)c1N 36749054 343148785 /nfs/dbraw/zinc/14/87/85/343148785.db2.gz QNJWQKXLOWCQSQ-UHFFFAOYSA-N 0 0 196.298 1.769 10 0 ADAERN CCc1ccc(NC(N)=O)cc1N 36744490 343148803 /nfs/dbraw/zinc/14/88/03/343148803.db2.gz OHTABCGCNJRWOZ-UHFFFAOYSA-N 0 0 179.223 1.322 10 0 ADAERN CCCNC(=O)Nc1c(C)n[nH]c1C 36734196 343148809 /nfs/dbraw/zinc/14/88/09/343148809.db2.gz IVMWYHMVKLGVMA-UHFFFAOYSA-N 0 0 196.254 1.558 10 0 ADAERN Cc1nccn1Cc1csc(N)n1 36732552 343148812 /nfs/dbraw/zinc/14/88/12/343148812.db2.gz CSIZSYGKCQAQOZ-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1nn(C)c(NC(C)C)c1N 36749016 343148836 /nfs/dbraw/zinc/14/88/36/343148836.db2.gz OAMWCZAIWJEBPT-UHFFFAOYSA-N 0 0 168.244 1.131 10 0 ADAERN CC[C@H]1NC(=O)N(C(C)(C)C)C1=O 36756565 343148933 /nfs/dbraw/zinc/14/89/33/343148933.db2.gz NUOZJDYIWBCFNS-ZCFIWIBFSA-N 0 0 184.239 1.115 10 0 ADAERN CCc1cc(=O)[nH]c(-c2ccco2)n1 36755291 343148950 /nfs/dbraw/zinc/14/89/50/343148950.db2.gz ITXWDNJYKSNZRK-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN Cc1noc(C)c1-c1nsc(N)n1 36753310 343148963 /nfs/dbraw/zinc/14/89/63/343148963.db2.gz HEOLZLGIHPQMFG-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN CCc1cc(=O)[nH]c(C(C)(C)C)n1 36755148 343149074 /nfs/dbraw/zinc/14/90/74/343149074.db2.gz DYPXCAYAYXVVED-UHFFFAOYSA-N 0 0 180.251 1.630 10 0 ADAERN CCCCN1C(=O)C[C@H](C)NC1=O 36756503 343149086 /nfs/dbraw/zinc/14/90/86/343149086.db2.gz CHVAPRDTGMGBNP-ZETCQYMHSA-N 0 0 184.239 1.117 10 0 ADAERN CCCCN1C(=O)C[C@@H](C)NC1=O 36756504 343149097 /nfs/dbraw/zinc/14/90/97/343149097.db2.gz CHVAPRDTGMGBNP-SSDOTTSWSA-N 0 0 184.239 1.117 10 0 ADAERN CC(C)[C@@H]1NC(=O)N(C(C)(C)C)C1=O 36756194 343149132 /nfs/dbraw/zinc/14/91/32/343149132.db2.gz XHKGXDKIRVLQFT-ZETCQYMHSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1cccc(-c2nc(CO)no2)c1 36757669 343149138 /nfs/dbraw/zinc/14/91/38/343149138.db2.gz SNMDVCGAXLFJGL-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN Cc1nc([C@H](N)c2ccsc2)no1 36762291 343149315 /nfs/dbraw/zinc/14/93/15/343149315.db2.gz OCAQZQGGQCJSBB-SSDOTTSWSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1nn(CC2CC2)c(C)c1N 36765348 343149367 /nfs/dbraw/zinc/14/93/67/343149367.db2.gz VECFJZRPYMDFTE-UHFFFAOYSA-N 0 0 165.240 1.492 10 0 ADAERN Cc1ccc(C)n1CC(=O)NC(C)C 36782068 343150341 /nfs/dbraw/zinc/15/03/41/343150341.db2.gz YOSIZXCEPMXGBL-UHFFFAOYSA-N 0 0 194.278 1.630 10 0 ADAERN C[C@H](C1CC1)N(C)c1ccc(N)nc1 36783288 343150411 /nfs/dbraw/zinc/15/04/11/343150411.db2.gz HRMAEAWWDDGEKK-MRVPVSSYSA-N 0 0 191.278 1.899 10 0 ADAERN C[C@H](C1CC1)N(C)c1ccc(N)cn1 36783266 343150440 /nfs/dbraw/zinc/15/04/40/343150440.db2.gz OUJBQTWLFFFZRN-MRVPVSSYSA-N 0 0 191.278 1.899 10 0 ADAERN CC(C)[C@@H](C)N(C)C(N)=S 36787405 343150525 /nfs/dbraw/zinc/15/05/25/343150525.db2.gz HWKZLNXOOLDPHY-ZCFIWIBFSA-N 0 0 160.286 1.206 10 0 ADAERN CC(C)[C@H](C)N(C)C(N)=S 36787406 343150683 /nfs/dbraw/zinc/15/06/83/343150683.db2.gz HWKZLNXOOLDPHY-LURJTMIESA-N 0 0 160.286 1.206 10 0 ADAERN N#CCc1nc(CCl)cs1 36805046 343150703 /nfs/dbraw/zinc/15/07/03/343150703.db2.gz BOYPGEMWQLEFHH-UHFFFAOYSA-N 0 0 172.640 1.948 10 0 in-vitro ADAERN CC(C)NC(=O)Cn1cccc1 36782069 343150712 /nfs/dbraw/zinc/15/07/12/343150712.db2.gz QXQKZXUHSMRNMK-UHFFFAOYSA-N 0 0 166.224 1.013 10 0 ADAERN CC(C)OC(=O)c1cc(N)ccc1O 36827679 343150744 /nfs/dbraw/zinc/15/07/44/343150744.db2.gz QQSWKDRPBHPAAL-UHFFFAOYSA-N 0 0 195.218 1.540 10 0 ADAERN CC(C)[C@@H](C)NC(=O)c1cc(N)c[nH]1 36862648 343150839 /nfs/dbraw/zinc/15/08/39/343150839.db2.gz PVIBFTZZPFSARZ-SSDOTTSWSA-N 0 0 195.266 1.371 10 0 ADAERN CCn1c(N(C)C2CC2)n[nH]c1=S 36865677 343150852 /nfs/dbraw/zinc/15/08/52/343150852.db2.gz DKYIEVAMAZEZQQ-UHFFFAOYSA-N 0 0 198.295 1.559 10 0 ADAERN CNC(=O)c1cc(N)cn1C(C)C 36860909 343150870 /nfs/dbraw/zinc/15/08/70/343150870.db2.gz ANCVDZUIMPZTKG-UHFFFAOYSA-N 0 0 181.239 1.011 10 0 ADAERN CN(C)C(=S)NC1CCCC1 36865104 343150885 /nfs/dbraw/zinc/15/08/85/343150885.db2.gz FJJZWQNRZPVXSW-UHFFFAOYSA-N 0 0 172.297 1.365 10 0 ADAERN CCCN(C)c1n[nH]c(=S)n1C 36865762 343150931 /nfs/dbraw/zinc/15/09/31/343150931.db2.gz YBFPJKLMBNMUHW-UHFFFAOYSA-N 0 0 186.284 1.324 10 0 ADAERN CCn1cc(N)cc1C(=O)NC(C)C 36860851 343150939 /nfs/dbraw/zinc/15/09/39/343150939.db2.gz JNXMYAQXZOQARG-UHFFFAOYSA-N 0 0 195.266 1.228 10 0 ADAERN CC(C)[C@H](C)NC(=O)c1cc(N)c[nH]1 36862649 343150997 /nfs/dbraw/zinc/15/09/97/343150997.db2.gz PVIBFTZZPFSARZ-ZETCQYMHSA-N 0 0 195.266 1.371 10 0 ADAERN CC[C@H](C)NC(=O)c1cc(N)cn1C 36860882 343151074 /nfs/dbraw/zinc/15/10/74/343151074.db2.gz GILSOJSDNMDNTQ-ZETCQYMHSA-N 0 0 195.266 1.136 10 0 ADAERN CC(C)n1cc(N)cc1C(=O)N(C)C 36861565 343151128 /nfs/dbraw/zinc/15/11/28/343151128.db2.gz YJSUKAQXIRLYKL-UHFFFAOYSA-N 0 0 195.266 1.353 10 0 ADAERN CC(C)N(C)c1n[nH]c(=S)n1C 36865479 343151246 /nfs/dbraw/zinc/15/12/46/343151246.db2.gz HWEVUTZXUVGRKV-UHFFFAOYSA-N 0 0 186.284 1.322 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc(N)s1 36870633 343151287 /nfs/dbraw/zinc/15/12/87/343151287.db2.gz DWTQGHHNMKPSNU-IMJSIDKUSA-N 0 0 155.226 1.244 10 0 ADAERN Cc1n[nH]c(C)c1NCC1CC1 36883870 343152621 /nfs/dbraw/zinc/15/26/21/343152621.db2.gz XTSININLVURJFR-UHFFFAOYSA-N 0 0 165.240 1.848 10 0 ADAERN Cc1nn(C)c(C)c1NCC1CC1 36882454 343152672 /nfs/dbraw/zinc/15/26/72/343152672.db2.gz IYRHRAMSLJIQJD-UHFFFAOYSA-N 0 0 179.267 1.859 10 0 ADAERN CN(C)c1ccc(C(N)=S)cc1F 36887293 343152752 /nfs/dbraw/zinc/15/27/52/343152752.db2.gz LYKYWTQBKGIKFD-UHFFFAOYSA-N 0 0 198.266 1.526 10 0 ADAERN Cc1ccc(-c2nccc(=O)[nH]2)s1 36882143 343152901 /nfs/dbraw/zinc/15/29/01/343152901.db2.gz KCIVLCXIXAWCCC-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1noc(C)c1-c1nccc(=O)[nH]1 36882112 343152925 /nfs/dbraw/zinc/15/29/25/343152925.db2.gz LCNPKHPHLRPSLN-UHFFFAOYSA-N 0 0 191.190 1.042 10 0 ADAERN CCCNC(=O)NC1CCC(=O)CC1 36880183 343152942 /nfs/dbraw/zinc/15/29/42/343152942.db2.gz DZKPAXRMLTWEHP-UHFFFAOYSA-N 0 0 198.266 1.207 10 0 ADAERN Cc1ccsc1-c1nccc(=O)[nH]1 36882121 343152950 /nfs/dbraw/zinc/15/29/50/343152950.db2.gz TXTRODKSGFRQNR-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CC(C)N1C(=O)CN(CC2CC2)C1=O 36884870 343152969 /nfs/dbraw/zinc/15/29/69/343152969.db2.gz KCBMTIGWWKLLSV-UHFFFAOYSA-N 0 0 196.250 1.069 10 0 ADAERN NC(=S)Cc1cccc(F)c1F 36888612 343152974 /nfs/dbraw/zinc/15/29/74/343152974.db2.gz JIJZZDOYBFYJPB-UHFFFAOYSA-N 0 0 187.214 1.793 10 0 ADAERN Cc1cc(C(N)=S)cc(C)c1O 36893206 343153103 /nfs/dbraw/zinc/15/31/03/343153103.db2.gz YTODUVREQYUYMU-UHFFFAOYSA-N 0 0 181.260 1.643 10 0 ADAERN Cc1c(O)cccc1OCCO 36896644 343153280 /nfs/dbraw/zinc/15/32/80/343153280.db2.gz NMSHKVNJDFAMRA-UHFFFAOYSA-N 0 0 168.192 1.072 10 0 ADAERN Cc1ccc(-c2ncc(N)cn2)o1 36895527 343153329 /nfs/dbraw/zinc/15/33/29/343153329.db2.gz STMNPZLQOCWKPM-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1n[nH]cc1CNc1cn[nH]c1 36901757 343153730 /nfs/dbraw/zinc/15/37/30/343153730.db2.gz WWQWFRFLRFXRSS-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN CCc1c([C@H]2C[C@H]2C)noc1N 36916526 343154264 /nfs/dbraw/zinc/15/42/64/343154264.db2.gz XPLCTIADVRYSPK-VDTYLAMSSA-N 0 0 166.224 1.943 10 0 ADAERN CCc1c(C(C)C)noc1N 36916592 343154300 /nfs/dbraw/zinc/15/43/00/343154300.db2.gz ODBQBEIVGOKJDV-UHFFFAOYSA-N 0 0 154.213 1.943 10 0 ADAERN CCc1c([C@@H]2C[C@H]2C)noc1N 36916525 343154315 /nfs/dbraw/zinc/15/43/15/343154315.db2.gz XPLCTIADVRYSPK-IYSWYEEDSA-N 0 0 166.224 1.943 10 0 ADAERN CCc1c(C2CC2)noc1N 36916594 343154362 /nfs/dbraw/zinc/15/43/62/343154362.db2.gz MHFNEQIPNVASOX-UHFFFAOYSA-N 0 0 152.197 1.697 10 0 ADAERN Cc1cccc(N)c1NC(N)=O 36925569 343154737 /nfs/dbraw/zinc/15/47/37/343154737.db2.gz IXNDLPJTNRLFBM-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN Cc1cccc(N)c1NC(=O)C1CC1 36925529 343154766 /nfs/dbraw/zinc/15/47/66/343154766.db2.gz HMDSEJKVFYGYPV-UHFFFAOYSA-N 0 0 190.246 1.926 10 0 ADAERN Cc1ccc(NCCC(N)=O)cc1F 36924295 343154803 /nfs/dbraw/zinc/15/48/03/343154803.db2.gz WLJDBTTYVQNOGZ-UHFFFAOYSA-N 0 0 196.225 1.421 10 0 ADAERN Cc1ccc(F)cc1NCCC(N)=O 36924326 343154820 /nfs/dbraw/zinc/15/48/20/343154820.db2.gz JYUGYCLQANHSIV-UHFFFAOYSA-N 0 0 196.225 1.421 10 0 ADAERN C[C@]1(c2cccs2)CC(=O)NC1=O 36929078 343155103 /nfs/dbraw/zinc/15/51/03/343155103.db2.gz FZRWXEMLQAJLHG-SECBINFHSA-N 0 0 195.243 1.893 10 0 ADAERN Cc1c(C2CCC2)noc1N 36937150 343154943 /nfs/dbraw/zinc/15/49/43/343154943.db2.gz GPHZPAUAJCFMDH-UHFFFAOYSA-N 0 0 152.197 1.833 10 0 ADAERN C[C@H]1CCCC[C@@]12CC(=O)NC2=O 36929094 343155043 /nfs/dbraw/zinc/15/50/43/343155043.db2.gz FKOGVDPQCXHAJP-OIBJUYFYSA-N 0 0 181.235 1.229 10 0 ADAERN Cc1c(N)n[nH]c1C1CCC1 36936008 343155076 /nfs/dbraw/zinc/15/50/76/343155076.db2.gz AKYUBBAYYNCILY-UHFFFAOYSA-N 0 0 151.213 1.568 10 0 ADAERN C[C@H]1CCCC[C@]12CC(=O)NC2=O 36929096 343155106 /nfs/dbraw/zinc/15/51/06/343155106.db2.gz FKOGVDPQCXHAJP-XVKPBYJWSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@H]1CCC[C@H](C)C12CC(=O)NC2=O 36929044 343155137 /nfs/dbraw/zinc/15/51/37/343155137.db2.gz YAOURXKSOZEHEQ-YUMQZZPRSA-N 0 0 195.262 1.475 10 0 ADAERN Cc1c(N)n[nH]c1C1CCCC1 36936006 343155178 /nfs/dbraw/zinc/15/51/78/343155178.db2.gz KFARXPQMYHRVEE-UHFFFAOYSA-N 0 0 165.240 1.958 10 0 ADAERN Cc1c([C@@H]2C[C@@H]2C)noc1N 36937152 343155184 /nfs/dbraw/zinc/15/51/84/343155184.db2.gz FMESODBTQXTXNV-UJURSFKZSA-N 0 0 152.197 1.689 10 0 ADAERN C[C@H]1CCC[C@]2(CC(=O)NC2=O)C1 36929090 343155208 /nfs/dbraw/zinc/15/52/08/343155208.db2.gz TVZJNFDVAGDSNJ-OIBJUYFYSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@]1(c2cccs2)CC(=O)NC1=O 36929079 343155223 /nfs/dbraw/zinc/15/52/23/343155223.db2.gz FZRWXEMLQAJLHG-VIFPVBQESA-N 0 0 195.243 1.893 10 0 ADAERN Cc1c(C)n(C)c2ncnc(N)c12 36939020 343155409 /nfs/dbraw/zinc/15/54/09/343155409.db2.gz UWYNRSNJGIGIMS-UHFFFAOYSA-N 0 0 176.223 1.167 10 0 ADAERN CCn1c(C)c(C)c2c(N)ncnc21 36939117 343155414 /nfs/dbraw/zinc/15/54/14/343155414.db2.gz OFPBDWLUSGOOSE-UHFFFAOYSA-N 0 0 190.250 1.650 10 0 ADAERN Cc1c(-c2ccoc2)noc1N 36937238 343155425 /nfs/dbraw/zinc/15/54/25/343155425.db2.gz UNENSKYNLIKPCK-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Cc1c(C2CC2)nn(C)c1N 36937998 343155433 /nfs/dbraw/zinc/15/54/33/343155433.db2.gz UQTFPYXZPRAVDH-UHFFFAOYSA-N 0 0 151.213 1.188 10 0 ADAERN Cc1c([C@@H]2C[C@H]2C)noc1N 36937156 343155450 /nfs/dbraw/zinc/15/54/50/343155450.db2.gz FMESODBTQXTXNV-INEUFUBQSA-N 0 0 152.197 1.689 10 0 ADAERN Cc1c([C@H]2C[C@H]2C)noc1N 36937158 343155489 /nfs/dbraw/zinc/15/54/89/343155489.db2.gz FMESODBTQXTXNV-XINAWCOVSA-N 0 0 152.197 1.689 10 0 ADAERN Cc1c([C@H]2C[C@@H]2C)noc1N 36937154 343155502 /nfs/dbraw/zinc/15/55/02/343155502.db2.gz FMESODBTQXTXNV-NJGYIYPDSA-N 0 0 152.197 1.689 10 0 ADAERN CCCC(=O)c1cnn(C)c1 36944318 343155567 /nfs/dbraw/zinc/15/55/67/343155567.db2.gz ZCOUPHIDYHEVOY-UHFFFAOYSA-N 0 0 152.197 1.403 10 0 ADAERN Cn1cc(C(=O)c2cccnc2)cn1 36944451 343155833 /nfs/dbraw/zinc/15/58/33/343155833.db2.gz JCHMTLXHTUBOPN-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN Cc1ncsc1-c1n[nH]c(=S)[nH]1 36948335 343155852 /nfs/dbraw/zinc/15/58/52/343155852.db2.gz RTWILLHMLKGGGR-UHFFFAOYSA-N 0 0 198.276 1.525 10 0 ADAERN Cc1ccc(C2N=NC(=S)N2)o1 36948317 343155888 /nfs/dbraw/zinc/15/58/88/343155888.db2.gz CVRHTBZXPSITKC-UHFFFAOYSA-N 0 0 181.220 1.662 10 0 ADAERN Cc1cccc(-c2n[nH]c(=S)[nH]2)n1 36948339 343155894 /nfs/dbraw/zinc/15/58/94/343155894.db2.gz YUBLPDDVEUTYRJ-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN CCCCC(=O)c1cnn(C)c1 36944320 343156000 /nfs/dbraw/zinc/15/60/00/343156000.db2.gz VNDRUMZLEMISCY-UHFFFAOYSA-N 0 0 166.224 1.793 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2C)n[nH]1 36960695 343156224 /nfs/dbraw/zinc/15/62/24/343156224.db2.gz AFUVRHHGHCDUOA-INEUFUBQSA-N 0 0 137.186 1.237 10 0 ADAERN Cc1nnc(CC(F)(F)F)[nH]1 36960687 343156235 /nfs/dbraw/zinc/15/62/35/343156235.db2.gz ZWNLCSWWHUOCIP-UHFFFAOYSA-N 0 0 165.118 1.218 10 0 ADAERN Cc1nc(-c2cccs2)n[nH]1 36960837 343156238 /nfs/dbraw/zinc/15/62/38/343156238.db2.gz VWZOSDWVKNLBEC-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN Cc1nnc(COc2ccccc2)[nH]1 36960851 343156261 /nfs/dbraw/zinc/15/62/61/343156261.db2.gz IMVYEGVQAFGSPR-UHFFFAOYSA-N 0 0 189.218 1.692 10 0 ADAERN Cc1nnc(Cc2ccccc2F)[nH]1 36960664 343156284 /nfs/dbraw/zinc/15/62/84/343156284.db2.gz AHYIOFXJJFVGMV-UHFFFAOYSA-N 0 0 191.209 1.843 10 0 ADAERN Cc1cc(N)ccc1-n1cccn1 36950222 343156293 /nfs/dbraw/zinc/15/62/93/343156293.db2.gz IXTOTYAVFXGDCN-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN Cc1nc(-c2c(C)nn(C)c2C)n[nH]1 36960871 343156315 /nfs/dbraw/zinc/15/63/15/343156315.db2.gz FBBRIWQKLVSBFZ-UHFFFAOYSA-N 0 0 191.238 1.130 10 0 ADAERN Cc1nnc(-c2scnc2C)[nH]1 36960778 343156321 /nfs/dbraw/zinc/15/63/21/343156321.db2.gz YYPHOAQHWLNOKI-UHFFFAOYSA-N 0 0 180.236 1.545 10 0 ADAERN Cc1nc(C2CCCC2)n[nH]1 36960679 343156329 /nfs/dbraw/zinc/15/63/29/343156329.db2.gz UDBHBVYMKLFRRC-UHFFFAOYSA-N 0 0 151.213 1.771 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C)n[nH]1 36960691 343156335 /nfs/dbraw/zinc/15/63/35/343156335.db2.gz AFUVRHHGHCDUOA-UJURSFKZSA-N 0 0 137.186 1.237 10 0 ADAERN Cc1nc(Cc2ccncc2)n[nH]1 36960685 343156346 /nfs/dbraw/zinc/15/63/46/343156346.db2.gz KIDDLOJIGVUHFO-UHFFFAOYSA-N 0 0 174.207 1.099 10 0 ADAERN Cc1nc(CC(C)(C)C)n[nH]1 36960800 343156362 /nfs/dbraw/zinc/15/63/62/343156362.db2.gz KXANSBSDXXQSLL-UHFFFAOYSA-N 0 0 153.229 1.702 10 0 ADAERN CC[C@H](C)c1n[nH]c(C)n1 36960793 343156365 /nfs/dbraw/zinc/15/63/65/343156365.db2.gz UNUZFPGANQHDRJ-YFKPBYRVSA-N 0 0 139.202 1.627 10 0 ADAERN Cc1nc(-c2ccsc2)n[nH]1 36960670 343156370 /nfs/dbraw/zinc/15/63/70/343156370.db2.gz KGNPXOPWCLZKFH-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN CCCCc1n[nH]c(C)n1 36960628 343156380 /nfs/dbraw/zinc/15/63/80/343156380.db2.gz OSFJMNXHCDDZMW-UHFFFAOYSA-N 0 0 139.202 1.456 10 0 ADAERN CC1=CC(=O)N([C@@H](C)C(C)C)C1=O 36962540 343156384 /nfs/dbraw/zinc/15/63/84/343156384.db2.gz MJICWBTVHFWQJL-QMMMGPOBSA-N 0 0 181.235 1.346 10 0 ADAERN CC1=CC(=O)N([C@H](C)C(C)C)C1=O 36962541 343156388 /nfs/dbraw/zinc/15/63/88/343156388.db2.gz MJICWBTVHFWQJL-MRVPVSSYSA-N 0 0 181.235 1.346 10 0 ADAERN Cc1nnc(-c2occc2C)[nH]1 36960795 343156390 /nfs/dbraw/zinc/15/63/90/343156390.db2.gz KICYCMMHTZDGTD-UHFFFAOYSA-N 0 0 163.180 1.682 10 0 ADAERN Cc1nc(-c2cc(C)oc2C)n[nH]1 36960796 343156395 /nfs/dbraw/zinc/15/63/95/343156395.db2.gz GMLYQSAZWFNBEL-UHFFFAOYSA-N 0 0 177.207 1.990 10 0 ADAERN Cc1nc(CCC(C)C)n[nH]1 36960654 343156407 /nfs/dbraw/zinc/15/64/07/343156407.db2.gz PEVQWYABUAZZMO-UHFFFAOYSA-N 0 0 153.229 1.702 10 0 ADAERN Cc1nc(C(C)(C)C)n[nH]1 36960626 343156415 /nfs/dbraw/zinc/15/64/15/343156415.db2.gz YJALPSSQOMTOMT-UHFFFAOYSA-N 0 0 139.202 1.411 10 0 ADAERN Cc1cccc(-c2n[nH]c(C)n2)n1 36960786 343156433 /nfs/dbraw/zinc/15/64/33/343156433.db2.gz OMNLGOSYZWXSHO-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1cc(N)ccc1-n1cncn1 36950221 343156464 /nfs/dbraw/zinc/15/64/64/343156464.db2.gz OVHJVOGIXHSJPK-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1nc(-c2ccoc2)n[nH]1 36960689 343156477 /nfs/dbraw/zinc/15/64/77/343156477.db2.gz JIMJHNFXVVADNW-UHFFFAOYSA-N 0 0 149.153 1.373 10 0 ADAERN Cc1nc([C@H]2C[C@@H]2C)n[nH]1 36960693 343156481 /nfs/dbraw/zinc/15/64/81/343156481.db2.gz AFUVRHHGHCDUOA-NJGYIYPDSA-N 0 0 137.186 1.237 10 0 ADAERN Cc1nc(CCc2ccccc2)n[nH]1 36960807 343156488 /nfs/dbraw/zinc/15/64/88/343156488.db2.gz WUVVELYTDNJBHD-UHFFFAOYSA-N 0 0 187.246 1.898 10 0 ADAERN Cc1nc([C@H]2C[C@H]2C)n[nH]1 36960697 343156543 /nfs/dbraw/zinc/15/65/43/343156543.db2.gz AFUVRHHGHCDUOA-XINAWCOVSA-N 0 0 137.186 1.237 10 0 ADAERN Cc1nnc(Cc2ccsc2)[nH]1 36960649 343156506 /nfs/dbraw/zinc/15/65/06/343156506.db2.gz MXKCATUMXJULFT-UHFFFAOYSA-N 0 0 179.248 1.765 10 0 ADAERN Cc1nc(-c2ccoc2C)n[nH]1 36960823 343156541 /nfs/dbraw/zinc/15/65/41/343156541.db2.gz RINYCTNDQZMXPC-UHFFFAOYSA-N 0 0 163.180 1.682 10 0 ADAERN CC(C)Nc1ccc(N(C)C)nc1 36989092 343157306 /nfs/dbraw/zinc/15/73/06/343157306.db2.gz CBADASAAYFVMGJ-UHFFFAOYSA-N 0 0 179.267 1.968 10 0 ADAERN Cc1nccn1C[C@@H](C)C(N)=S 36987062 343157394 /nfs/dbraw/zinc/15/73/94/343157394.db2.gz VJDPHDACDJHRHG-ZCFIWIBFSA-N 0 0 183.280 1.114 10 0 ADAERN Cc1nccn1C[C@H](C)C(N)=S 36987063 343157471 /nfs/dbraw/zinc/15/74/71/343157471.db2.gz VJDPHDACDJHRHG-LURJTMIESA-N 0 0 183.280 1.114 10 0 ADAERN CC(C)Nc1cc(C(N)=O)ccc1F 37013516 343157495 /nfs/dbraw/zinc/15/74/95/343157495.db2.gz JWUQEJZGEBSUAC-UHFFFAOYSA-N 0 0 196.225 1.745 10 0 ADAERN Cc1ccc(NC(N)=O)c(N)c1 37064724 343158018 /nfs/dbraw/zinc/15/80/18/343158018.db2.gz BHACANRTFLNATQ-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN Cc1ccc(N2CCOC2=O)c(N)c1 37064653 343158039 /nfs/dbraw/zinc/15/80/39/343158039.db2.gz SSQSVQMLUHEXHA-UHFFFAOYSA-N 0 0 192.218 1.534 10 0 ADAERN CNc1ccc(N)c(OC(C)C)n1 37066736 343158064 /nfs/dbraw/zinc/15/80/64/343158064.db2.gz KTUKBHLOBLXSSR-UHFFFAOYSA-N 0 0 181.239 1.493 10 0 ADAERN CC(C)Nc1cccnc1N(C)C 37028962 343158129 /nfs/dbraw/zinc/15/81/29/343158129.db2.gz DHQCSKXDUGTIEI-UHFFFAOYSA-N 0 0 179.267 1.968 10 0 ADAERN CN(C)c1ncccc1NCC1CC1 37029046 343158139 /nfs/dbraw/zinc/15/81/39/343158139.db2.gz JNRMKHUGBPSGJB-UHFFFAOYSA-N 0 0 191.278 1.970 10 0 ADAERN CN(c1ccc(N)cn1)C1CC1 37080603 343158266 /nfs/dbraw/zinc/15/82/66/343158266.db2.gz XKJFCURIOCZLKO-UHFFFAOYSA-N 0 0 163.224 1.262 10 0 ADAERN COC(=O)[C@H](C)N[C@@H](C)CC(C)C 37073991 343158318 /nfs/dbraw/zinc/15/83/18/343158318.db2.gz JBLCLZDGKMSJOJ-IUCAKERBSA-N 0 0 187.283 1.572 10 0 ADAERN CN(Cc1csc(N)n1)C1CC1 37081156 343158469 /nfs/dbraw/zinc/15/84/69/343158469.db2.gz AMSCTXBHGGMMDJ-UHFFFAOYSA-N 0 0 183.280 1.320 10 0 ADAERN CN(C(=O)c1ccc(O)cc1)C1CC1 37081399 343158512 /nfs/dbraw/zinc/15/85/12/343158512.db2.gz BONNUJPQTCFDTC-UHFFFAOYSA-N 0 0 191.230 1.627 10 0 ADAERN CN(c1ccc(Cl)nn1)C1CC1 37081469 343158549 /nfs/dbraw/zinc/15/85/49/343158549.db2.gz TWUGZEAXDLCPDW-UHFFFAOYSA-N 0 0 183.642 1.729 10 0 ADAERN CN(c1ncccc1N)C1CC1 37080599 343158615 /nfs/dbraw/zinc/15/86/15/343158615.db2.gz FVOGLPQKFJUQIG-UHFFFAOYSA-N 0 0 163.224 1.262 10 0 ADAERN CN(c1ccc(CO)cc1)C1CC1 37081369 343158641 /nfs/dbraw/zinc/15/86/41/343158641.db2.gz LUYALTWRPQCJDQ-UHFFFAOYSA-N 0 0 177.247 1.778 10 0 ADAERN CN(c1ccccc1N)C1CC1 37080604 343158667 /nfs/dbraw/zinc/15/86/67/343158667.db2.gz STLXTASSUCKLFC-UHFFFAOYSA-N 0 0 162.236 1.867 10 0 ADAERN CN(c1ccccc1CO)C1CC1 37081368 343158670 /nfs/dbraw/zinc/15/86/70/343158670.db2.gz XPUVSDFFOSOLJY-UHFFFAOYSA-N 0 0 177.247 1.778 10 0 ADAERN CN(c1ccc(N)nc1)C1CC1 37080594 343158728 /nfs/dbraw/zinc/15/87/28/343158728.db2.gz VHRWOKHMJDBKMP-UHFFFAOYSA-N 0 0 163.224 1.262 10 0 ADAERN CN(C(=O)c1cccc(O)c1)C1CC1 37081411 343158754 /nfs/dbraw/zinc/15/87/54/343158754.db2.gz JKGRSAFMDZRXRC-UHFFFAOYSA-N 0 0 191.230 1.627 10 0 ADAERN COC(=O)[C@H](C)N[C@H](C)CC(C)C 37073990 343158802 /nfs/dbraw/zinc/15/88/02/343158802.db2.gz JBLCLZDGKMSJOJ-BDAKNGLRSA-N 0 0 187.283 1.572 10 0 ADAERN CN(c1ccc(CO)cc1F)C1CC1 37081367 343158834 /nfs/dbraw/zinc/15/88/34/343158834.db2.gz CRYWNVGPXMNZGX-UHFFFAOYSA-N 0 0 195.237 1.917 10 0 ADAERN CN(C(N)=S)C1CCCC1 37092737 343159342 /nfs/dbraw/zinc/15/93/42/343159342.db2.gz REELTSVRQHQJHC-UHFFFAOYSA-N 0 0 158.270 1.104 10 0 ADAERN CCCN(C)c1ccc(N)nc1 37097949 343159554 /nfs/dbraw/zinc/15/95/54/343159554.db2.gz WENGOVDTNIEYFQ-UHFFFAOYSA-N 0 0 165.240 1.510 10 0 ADAERN CC[C@H](C)N(C)c1ncccc1N 37109473 343159705 /nfs/dbraw/zinc/15/97/05/343159705.db2.gz CHSQJTVTRXSTCV-QMMMGPOBSA-N 0 0 179.267 1.899 10 0 ADAERN Cc1cc(N)ccc1SCCO 37117023 343160678 /nfs/dbraw/zinc/16/06/78/343160678.db2.gz KIDKWPPYOIBEDD-UHFFFAOYSA-N 0 0 183.276 1.662 10 0 ADAERN CC(C)Nc1cccc(NC(N)=O)c1 37136008 343160841 /nfs/dbraw/zinc/16/08/41/343160841.db2.gz CSMUXGBLVQZYHW-UHFFFAOYSA-N 0 0 193.250 1.998 10 0 ADAERN CC(C)Nc1ccc2oc(=O)[nH]c2c1 37130168 343160888 /nfs/dbraw/zinc/16/08/88/343160888.db2.gz OPIJSRGXEIZDLH-UHFFFAOYSA-N 0 0 192.218 1.941 10 0 ADAERN CC(C)Nc1ccc(NC(N)=O)cc1 37136643 343161015 /nfs/dbraw/zinc/16/10/15/343161015.db2.gz MZDWBFYTZCEXPN-UHFFFAOYSA-N 0 0 193.250 1.998 10 0 ADAERN C[NH2+]C1(C(=O)[O-])CCC(C)CC1 37180594 343161912 /nfs/dbraw/zinc/16/19/12/343161912.db2.gz AXZJBHFZCNGKSD-UHFFFAOYSA-N 0 0 171.240 1.239 10 0 ADAERN C[NH2+]C1(C(=O)[O-])CCCCCCC1 37180751 343161996 /nfs/dbraw/zinc/16/19/96/343161996.db2.gz AVOWYSFTOBFZQY-UHFFFAOYSA-N 0 0 185.267 1.774 10 0 ADAERN CC1=CC(=O)N(CC2CCC2)C1=O 37180766 343162054 /nfs/dbraw/zinc/16/20/54/343162054.db2.gz XTFSXAPHYAONCC-UHFFFAOYSA-N 0 0 179.219 1.102 10 0 ADAERN Cc1ccc(-c2n[nH]cc2CO)o1 37180234 343162104 /nfs/dbraw/zinc/16/21/04/343162104.db2.gz AGGYUWCQBYQNLA-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN CCC1CCC([NH2+]C)(C(=O)[O-])CC1 37180755 343162164 /nfs/dbraw/zinc/16/21/64/343162164.db2.gz RCXKVINVUJZDSE-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H]1CCCC[C@@]1([NH2+]C1CC1)C(=O)[O-] 37183336 343162254 /nfs/dbraw/zinc/16/22/54/343162254.db2.gz CVLDKSJGDYFWMF-KWQFWETISA-N 0 0 197.278 1.772 10 0 ADAERN C[C@H]1CCC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 37183344 343162392 /nfs/dbraw/zinc/16/23/92/343162392.db2.gz HFCMXKXBTOYKCD-GZMMTYOYSA-N 0 0 197.278 1.772 10 0 ADAERN C[C@H]1CCC[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 37183346 343162456 /nfs/dbraw/zinc/16/24/56/343162456.db2.gz HFCMXKXBTOYKCD-KWQFWETISA-N 0 0 197.278 1.772 10 0 ADAERN Cc1ccc(CN2CCC(=O)C2)cc1 37239988 343163121 /nfs/dbraw/zinc/16/31/21/343163121.db2.gz LIMRZAYTHXBJGA-UHFFFAOYSA-N 0 0 189.258 1.770 10 0 ADAERN Cc1ccc(NC[C@H](C)C(N)=O)cc1 37227374 343163129 /nfs/dbraw/zinc/16/31/29/343163129.db2.gz GPFNJHVPJJYYRR-VIFPVBQESA-N 0 0 192.262 1.528 10 0 ADAERN Cc1cc(F)ccc1N1CCC(=O)C1 37239970 343163139 /nfs/dbraw/zinc/16/31/39/343163139.db2.gz MHJZIANLCPGNRH-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN Cc1ccc(NC[C@@H](C)C(N)=O)cc1 37227373 343163147 /nfs/dbraw/zinc/16/31/47/343163147.db2.gz GPFNJHVPJJYYRR-SECBINFHSA-N 0 0 192.262 1.528 10 0 ADAERN CCC(CC)N1CCC(=O)C1 37239996 343163149 /nfs/dbraw/zinc/16/31/49/343163149.db2.gz MCBWDHPFEITMKC-UHFFFAOYSA-N 0 0 155.241 1.450 10 0 ADAERN C[C@H](CNc1ccccc1F)C(N)=O 37227320 343163157 /nfs/dbraw/zinc/16/31/57/343163157.db2.gz KOXVTTUIWKTPJR-SSDOTTSWSA-N 0 0 196.225 1.359 10 0 ADAERN Cc1cccc(NC[C@@H](C)C(N)=O)c1 37227069 343163161 /nfs/dbraw/zinc/16/31/61/343163161.db2.gz KFWIMMGUXHHCSN-SECBINFHSA-N 0 0 192.262 1.528 10 0 ADAERN CN(c1ccc(F)cc1CO)C1CC1 37234567 343163165 /nfs/dbraw/zinc/16/31/65/343163165.db2.gz JHXFLGWEZZXABE-UHFFFAOYSA-N 0 0 195.237 1.917 10 0 ADAERN CC[C@H](C)N1CCC(=O)C1 37239966 343163259 /nfs/dbraw/zinc/16/32/59/343163259.db2.gz BJGJQPBVRYBBOX-ZETCQYMHSA-N 0 0 141.214 1.060 10 0 ADAERN C[C@H](CNc1cccc(F)c1)C(N)=O 37227298 343163297 /nfs/dbraw/zinc/16/32/97/343163297.db2.gz GAFOKRVKHABTAC-SSDOTTSWSA-N 0 0 196.225 1.359 10 0 ADAERN Cc1ccc(N2CCC(=O)C2)cc1F 37239987 343163306 /nfs/dbraw/zinc/16/33/06/343163306.db2.gz QISKOKBAFWQXLD-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN CCCCN1CCC(=O)C1 37239829 343163316 /nfs/dbraw/zinc/16/33/16/343163316.db2.gz KWFATJMDSMSKPA-UHFFFAOYSA-N 0 0 141.214 1.061 10 0 ADAERN CN(C)c1ccc(F)cc1CO 37234447 343163336 /nfs/dbraw/zinc/16/33/36/343163336.db2.gz VKZFNHFANNLWPE-UHFFFAOYSA-N 0 0 169.199 1.384 10 0 ADAERN C[C@]1(C(F)(F)F)NCCCO1 37245202 343163646 /nfs/dbraw/zinc/16/36/46/343163646.db2.gz DCLPZZBGHAIVQN-YFKPBYRVSA-N 0 0 169.146 1.275 10 0 ADAERN CCC(C)(C)N1CCC(=O)C1 37240000 343163659 /nfs/dbraw/zinc/16/36/59/343163659.db2.gz GHXHAIPRYKFAAR-UHFFFAOYSA-N 0 0 155.241 1.450 10 0 ADAERN C[C@H]1CCCC[C@H]1N1CCC(=O)C1 37240031 343163757 /nfs/dbraw/zinc/16/37/57/343163757.db2.gz HZAVWQLZSHIOTK-GXSJLCMTSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H]1CCC[C@H](NC(N)=S)C1 37255757 343164102 /nfs/dbraw/zinc/16/41/02/343164102.db2.gz PZNXLKBYAOYYAH-BQBZGAKWSA-N 0 0 172.297 1.398 10 0 ADAERN C[C@H]1CCC[C@@H](NC(N)=S)C1 37255761 343164343 /nfs/dbraw/zinc/16/43/43/343164343.db2.gz PZNXLKBYAOYYAH-NKWVEPMBSA-N 0 0 172.297 1.398 10 0 ADAERN C[C@H]1CCC[C@@H](N2CCC(=O)C2)C1 37255769 343164396 /nfs/dbraw/zinc/16/43/96/343164396.db2.gz BLSGWLYZISMOBV-VHSXEESVSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H]1CCC[C@H](N2CCC(=O)C2)C1 37255765 343164423 /nfs/dbraw/zinc/16/44/23/343164423.db2.gz BLSGWLYZISMOBV-UWVGGRQHSA-N 0 0 181.279 1.840 10 0 ADAERN CC1=CC(=O)N([C@@H](C)CC(C)C)C1=O 37265034 343164583 /nfs/dbraw/zinc/16/45/83/343164583.db2.gz ABCADSKZBGLQPT-VIFPVBQESA-N 0 0 195.262 1.736 10 0 ADAERN CC1=CC(=O)N([C@H](C)CC(C)C)C1=O 37265035 343164674 /nfs/dbraw/zinc/16/46/74/343164674.db2.gz ABCADSKZBGLQPT-SECBINFHSA-N 0 0 195.262 1.736 10 0 ADAERN C[C@H]1CN([C@@H]2CCCCC2=O)CCO1 37332756 343165051 /nfs/dbraw/zinc/16/50/51/343165051.db2.gz FUTDLKLMDKZEJA-VHSXEESVSA-N 0 0 197.278 1.219 10 0 ADAERN Cc1cccc(C(=O)CN(C)C)c1 37333602 343165133 /nfs/dbraw/zinc/16/51/33/343165133.db2.gz MIKKCLAVSJYZQO-UHFFFAOYSA-N 0 0 177.247 1.739 10 0 ADAERN CN(C)CC(=O)c1c(F)cccc1F 37333563 343165138 /nfs/dbraw/zinc/16/51/38/343165138.db2.gz ZHKJUXOASAVUKH-UHFFFAOYSA-N 0 0 199.200 1.709 10 0 ADAERN C[C@H]1CN(CC(=O)C(C)(C)C)CCO1 37332943 343165150 /nfs/dbraw/zinc/16/51/50/343165150.db2.gz SZBBSPFULAPIRB-VIFPVBQESA-N 0 0 199.294 1.322 10 0 ADAERN CN(C)CC(=O)c1cccs1 37333608 343165323 /nfs/dbraw/zinc/16/53/23/343165323.db2.gz PSBUTSIVLRLIRT-UHFFFAOYSA-N 0 0 169.249 1.492 10 0 ADAERN CN(C)CC(=O)c1ccco1 37333610 343165335 /nfs/dbraw/zinc/16/53/35/343165335.db2.gz KGNZBUVLHVOLGU-UHFFFAOYSA-N 0 0 153.181 1.024 10 0 ADAERN Cc1ccc(C(=O)CN(C)C)s1 37333620 343165416 /nfs/dbraw/zinc/16/54/16/343165416.db2.gz HMGSVUVENCLBQD-UHFFFAOYSA-N 0 0 183.276 1.801 10 0 ADAERN C[C@H]1CN([C@@H]2CCCC2=O)C[C@@H](C)O1 37332444 343165435 /nfs/dbraw/zinc/16/54/35/343165435.db2.gz CEUFBXYYEKCIMJ-KXUCPTDWSA-N 0 0 197.278 1.217 10 0 ADAERN CN(C)CC(=O)c1cccc(F)c1 37333626 343165527 /nfs/dbraw/zinc/16/55/27/343165527.db2.gz KDEFJTHPEJHPAL-UHFFFAOYSA-N 0 0 181.210 1.570 10 0 ADAERN COCC(=O)c1cc(F)ccc1OC 37346603 343165695 /nfs/dbraw/zinc/16/56/95/343165695.db2.gz OXNKTBJJYMCBNC-UHFFFAOYSA-N 0 0 198.193 1.663 10 0 ADAERN COCC(=O)c1cccc(OC)c1 37346614 343165725 /nfs/dbraw/zinc/16/57/25/343165725.db2.gz BCUYBRQTPLUIKN-UHFFFAOYSA-N 0 0 180.203 1.524 10 0 ADAERN CC(=O)[C@H](C)N1C[C@H](C)OC[C@H]1C 37338032 343165729 /nfs/dbraw/zinc/16/57/29/343165729.db2.gz UCYZETHZHCTOHL-VGMNWLOBSA-N 0 0 185.267 1.073 10 0 ADAERN C[C@H]1COCCN1CC(=O)C(C)(C)C 37337924 343165930 /nfs/dbraw/zinc/16/59/30/343165930.db2.gz PVHANLNMOJZVGU-VIFPVBQESA-N 0 0 199.294 1.322 10 0 ADAERN CC1(C)CN([C@H]2CCCC2=O)CCO1 37339865 343165945 /nfs/dbraw/zinc/16/59/45/343165945.db2.gz NRQUMHHDOKPOIE-VIFPVBQESA-N 0 0 197.278 1.219 10 0 ADAERN O=C1CCCC[C@H]1SCCO 37352882 343166015 /nfs/dbraw/zinc/16/60/15/343166015.db2.gz KOKHYKOMXZQFMR-MRVPVSSYSA-N 0 0 174.265 1.224 10 0 ADAERN CC[C@@H]1COCCN1[C@@H]1CCCC1=O 37340069 343166020 /nfs/dbraw/zinc/16/60/20/343166020.db2.gz FIQYSYMBCRZLAN-NXEZZACHSA-N 0 0 197.278 1.219 10 0 ADAERN CC[C@H]1COCCN1[C@@H]1CCCC1=O 37340070 343166047 /nfs/dbraw/zinc/16/60/47/343166047.db2.gz FIQYSYMBCRZLAN-VHSXEESVSA-N 0 0 197.278 1.219 10 0 ADAERN COCC(=O)c1ccc(OC)cc1 37346647 343166058 /nfs/dbraw/zinc/16/60/58/343166058.db2.gz CAORAKZMJBISBZ-UHFFFAOYSA-N 0 0 180.203 1.524 10 0 ADAERN C[C@H]1CCCC[C@]1(C(=O)[O-])[NH+](C)C 37357614 343166281 /nfs/dbraw/zinc/16/62/81/343166281.db2.gz PSVNLLGKPVGUDA-WPRPVWTQSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@]1(C2CCCCC2)CC(=O)NC1=O 37367410 343166332 /nfs/dbraw/zinc/16/63/32/343166332.db2.gz IVCKCLVOPILTNN-LLVKDONJSA-N 0 0 195.262 1.620 10 0 ADAERN C[NH+](C)[C@H](C(=O)[O-])[C@@H]1CC=CCC1 37358508 343166349 /nfs/dbraw/zinc/16/63/49/343166349.db2.gz ZZUCHILXKDFFHA-BDAKNGLRSA-N 0 0 183.251 1.358 10 0 ADAERN CC1CCC(C(=O)[O-])([NH+](C)C)CC1 37357825 343166386 /nfs/dbraw/zinc/16/63/86/343166386.db2.gz IHBNEWHBOJIJND-UHFFFAOYSA-N 0 0 185.267 1.582 10 0 ADAERN C[NH+](C)[C@H](C(=O)[O-])C1CCCCC1 37358281 343166389 /nfs/dbraw/zinc/16/63/89/343166389.db2.gz JUSDIQNZNWSGSK-VIFPVBQESA-N 0 0 185.267 1.582 10 0 ADAERN C[NH+](C)[C@H](C(=O)[O-])[C@H]1CC=CCC1 37358503 343166414 /nfs/dbraw/zinc/16/64/14/343166414.db2.gz ZZUCHILXKDFFHA-IUCAKERBSA-N 0 0 183.251 1.358 10 0 ADAERN C[NH+](C)[C@H](C(=O)[O-])c1ccc(O)cc1 37358430 343166455 /nfs/dbraw/zinc/16/64/55/343166455.db2.gz IHBDSGZFZFGSGU-VIFPVBQESA-N 0 0 195.218 1.080 10 0 ADAERN C[C@H]1CCC[C@](C(=O)[O-])([NH+](C)C)C1 37357647 343166545 /nfs/dbraw/zinc/16/65/45/343166545.db2.gz CTBOYNMVJAQEGI-WPRPVWTQSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@](C(=O)[O-])(C1CC1)[NH+]1CCCCC1 37361783 343166550 /nfs/dbraw/zinc/16/65/50/343166550.db2.gz DOWRTDVNVCSXMQ-LLVKDONJSA-N 0 0 197.278 1.726 10 0 ADAERN CCC1(O)Cc2ccccc2C1 37376191 343166597 /nfs/dbraw/zinc/16/65/97/343166597.db2.gz OWQFDLLIHOIIJD-UHFFFAOYSA-N 0 0 162.232 1.926 10 0 ADAERN C[NH+](C)[C@H](C(=O)[O-])c1cccc(O)c1 37358424 343166617 /nfs/dbraw/zinc/16/66/17/343166617.db2.gz CHJYHMOTGAUTEO-VIFPVBQESA-N 0 0 195.218 1.080 10 0 ADAERN Cc1ccsc1/C=C/C(N)=O 37387405 343167163 /nfs/dbraw/zinc/16/71/63/343167163.db2.gz VOCHIZLUCCIAPD-NSCUHMNNSA-N 0 0 167.233 1.555 10 0 ADAERN CC(C)N1CCC(=O)N(C(C)C)C1=O 37386174 343167180 /nfs/dbraw/zinc/16/71/80/343167180.db2.gz MQUFHDQXFDFDDI-UHFFFAOYSA-N 0 0 198.266 1.458 10 0 ADAERN Cc1cc(N)ccc1NCCCO 37383124 343167194 /nfs/dbraw/zinc/16/71/94/343167194.db2.gz IDBGJOGKLKFEGN-UHFFFAOYSA-N 0 0 180.251 1.372 10 0 ADAERN C[C@H](Oc1ccccc1F)C(N)=O 37387284 343167234 /nfs/dbraw/zinc/16/72/34/343167234.db2.gz CBHTTZVRMYZPPV-LURJTMIESA-N 0 0 183.182 1.078 10 0 ADAERN Cc1ccc(/C=C/C(N)=O)s1 37388097 343167238 /nfs/dbraw/zinc/16/72/38/343167238.db2.gz LRUXHHDESHRBMY-SNAWJCMRSA-N 0 0 167.233 1.555 10 0 ADAERN CC1=CC(=O)N(C(C)(C)C)C1=O 37387191 343167256 /nfs/dbraw/zinc/16/72/56/343167256.db2.gz IDBFJQRIYZTMSZ-UHFFFAOYSA-N 0 0 167.208 1.100 10 0 ADAERN Nc1cccc(NCCCO)c1 37383131 343167258 /nfs/dbraw/zinc/16/72/58/343167258.db2.gz CGSYHUHHSJWEKH-UHFFFAOYSA-N 0 0 166.224 1.063 10 0 ADAERN CC1=CC(=O)N(Cc2ccco2)C1=O 37387176 343167338 /nfs/dbraw/zinc/16/73/38/343167338.db2.gz QRGUQBNWUZYRKU-UHFFFAOYSA-N 0 0 191.186 1.095 10 0 ADAERN C[C@H](C(N)=O)n1cnc2ccccc21 37387280 343167343 /nfs/dbraw/zinc/16/73/43/343167343.db2.gz GVDZRTFFLONXRZ-SSDOTTSWSA-N 0 0 189.218 1.083 10 0 ADAERN Cc1noc(C(C)C)c1C(N)=O 37388326 343167362 /nfs/dbraw/zinc/16/73/62/343167362.db2.gz GJOQLLFHZAYIEX-UHFFFAOYSA-N 0 0 168.196 1.205 10 0 ADAERN C[C@H]1C[C@H]1C1N=NC(=S)N1 37404898 343167595 /nfs/dbraw/zinc/16/75/95/343167595.db2.gz VIUBRSFMMQTIJM-IUYQGCFVSA-N 0 0 155.226 1.217 10 0 ADAERN Cc1ccc(-n2cncn2)c(N)c1 37401478 343167788 /nfs/dbraw/zinc/16/77/88/343167788.db2.gz PSBSOPDLVSBDRI-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccc(-n2cccn2)c(N)c1 37401480 343167789 /nfs/dbraw/zinc/16/77/89/343167789.db2.gz OYPCJRADSXZJCG-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN C[C@H]1c2cccc(C(N)=O)c2O[C@@H]1C 37388940 343167826 /nfs/dbraw/zinc/16/78/26/343167826.db2.gz WLQDBLTZGYZAHT-RNFRBKRXSA-N 0 0 191.230 1.670 10 0 ADAERN Cc1ccc(-n2ccnc2)c(N)c1 37401476 343167870 /nfs/dbraw/zinc/16/78/70/343167870.db2.gz CRFZZCDCTMSVIF-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN Cc1nccn1-c1cccc(F)c1N 37419919 343168114 /nfs/dbraw/zinc/16/81/14/343168114.db2.gz YCXCWKCQGSRCMH-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN C[C@H](O)CNc1cccc(F)c1N 37419630 343168185 /nfs/dbraw/zinc/16/81/85/343168185.db2.gz OGHHCIKDWRXZPE-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C=CC(=O)Nc1c(C)n[nH]c1C 37408863 343168251 /nfs/dbraw/zinc/16/82/51/343168251.db2.gz HDRBNOLQCTYFDP-UHFFFAOYSA-N 0 0 165.196 1.151 10 0 ADAERN C[C@H](CO)Nc1cccc(F)c1N 37419635 343168278 /nfs/dbraw/zinc/16/82/78/343168278.db2.gz CPKLNTFQZXCGAY-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN CCn1c(N)nc2c(F)cccc21 37421189 343168321 /nfs/dbraw/zinc/16/83/21/343168321.db2.gz LXJWNQPNZUXFKN-UHFFFAOYSA-N 0 0 179.198 1.778 10 0 ADAERN Cc1cc(=O)[nH]c(CC(C)C)n1 37409012 343168332 /nfs/dbraw/zinc/16/83/32/343168332.db2.gz QNSWDVVJKFSHSE-UHFFFAOYSA-N 0 0 166.224 1.277 10 0 ADAERN CC[C@H](CO)Nc1cccc(F)c1N 37419623 343168393 /nfs/dbraw/zinc/16/83/93/343168393.db2.gz AMQAUZVEOIAVJU-SSDOTTSWSA-N 0 0 198.241 1.591 10 0 ADAERN CCCNC(C)(C)C(=O)OCC 37459299 343168561 /nfs/dbraw/zinc/16/85/61/343168561.db2.gz MFYGFUWKZPLOCM-UHFFFAOYSA-N 0 0 173.256 1.328 10 0 ADAERN CNC1(C(=O)OC)CCCCCCC1 37447913 343168751 /nfs/dbraw/zinc/16/87/51/343168751.db2.gz SYMPXADQLBNFFE-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CCC(CC)(NC1CC1)C(=O)OC 37459424 343168688 /nfs/dbraw/zinc/16/86/88/343168688.db2.gz ZBLFHRUPDGLBGH-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN CNC1(C(=O)OC)CCC(C)CC1 37447831 343168860 /nfs/dbraw/zinc/16/88/60/343168860.db2.gz MDAHHDQQYPOPIV-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN CCCC(=O)c1ncccn1 37464321 343169082 /nfs/dbraw/zinc/16/90/82/343169082.db2.gz VOCQXESYDQGANX-UHFFFAOYSA-N 0 0 150.181 1.459 10 0 ADAERN CC[C@@H](O)c1cccnc1 37464727 343169258 /nfs/dbraw/zinc/16/92/58/343169258.db2.gz FIGGGNADMGYZFG-MRVPVSSYSA-N 0 0 137.182 1.525 10 0 ADAERN CC[C@H](O)c1cccnc1 37464725 343169282 /nfs/dbraw/zinc/16/92/82/343169282.db2.gz FIGGGNADMGYZFG-QMMMGPOBSA-N 0 0 137.182 1.525 10 0 ADAERN CC(C)[C@H](O)c1ncccn1 37465787 343169547 /nfs/dbraw/zinc/16/95/47/343169547.db2.gz ZPQSDTZWQAFAIQ-ZETCQYMHSA-N 0 0 152.197 1.166 10 0 ADAERN CC(C)[C@H](O)c1cnccn1 37465674 343169552 /nfs/dbraw/zinc/16/95/52/343169552.db2.gz YIVOYKTZIMHQOU-QMMMGPOBSA-N 0 0 152.197 1.166 10 0 ADAERN CC(C)[C@@H](O)c1ncccn1 37465789 343169631 /nfs/dbraw/zinc/16/96/31/343169631.db2.gz ZPQSDTZWQAFAIQ-SSDOTTSWSA-N 0 0 152.197 1.166 10 0 ADAERN C[C@H]1CN=C(Nc2ccn(C)n2)S1 37471989 343169963 /nfs/dbraw/zinc/16/99/63/343169963.db2.gz OCKNNNGRXGQYNV-LURJTMIESA-N 0 0 196.279 1.323 10 0 ADAERN C[C@H](Nc1ccn(C)n1)C1CC1 37471902 343170006 /nfs/dbraw/zinc/17/00/06/343170006.db2.gz QVGAWIKPTDWQLN-ZETCQYMHSA-N 0 0 165.240 1.631 10 0 ADAERN CC[C@H](C)Nc1ccn(C)n1 37471872 343170079 /nfs/dbraw/zinc/17/00/79/343170079.db2.gz ZSVXZDFFWVDGCW-ZETCQYMHSA-N 0 0 153.229 1.631 10 0 ADAERN CC(C)[C@@H](C)Nc1ccn(C)n1 37471883 343170106 /nfs/dbraw/zinc/17/01/06/343170106.db2.gz GJHAKCFLGPTUIS-MRVPVSSYSA-N 0 0 167.256 1.877 10 0 ADAERN CC[C@H](C)N1CC(=O)N(CC)C1=O 37475291 343170303 /nfs/dbraw/zinc/17/03/03/343170303.db2.gz HNUDPIBPAMJFOF-ZETCQYMHSA-N 0 0 184.239 1.069 10 0 ADAERN CCCN1C(=O)CCN(C2CC2)C1=O 37475205 343170313 /nfs/dbraw/zinc/17/03/13/343170313.db2.gz UMTBEJACHOSIFW-UHFFFAOYSA-N 0 0 196.250 1.213 10 0 ADAERN CCCN1C(=O)CN(C(C)C)C1=O 37475228 343170525 /nfs/dbraw/zinc/17/05/25/343170525.db2.gz ORMPKFBPIKAWAA-UHFFFAOYSA-N 0 0 184.239 1.069 10 0 ADAERN CNC(=O)c1cc(N)c(C)c(F)c1 37483976 343171722 /nfs/dbraw/zinc/17/17/22/343171722.db2.gz VWLSPXKYNYADRN-UHFFFAOYSA-N 0 0 182.198 1.076 10 0 ADAERN Cc1c(N)cc(C(=O)N(C)C)cc1F 37483981 343171786 /nfs/dbraw/zinc/17/17/86/343171786.db2.gz SQZHIGOLFZTNAB-UHFFFAOYSA-N 0 0 196.225 1.418 10 0 ADAERN Cc1cc(=O)[nH]c(-c2ccc(C)o2)n1 37504331 343171941 /nfs/dbraw/zinc/17/19/41/343171941.db2.gz UWJKEJFRSFXGEH-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN O[C@@H]1CCCC[C@H]1NCC(F)(F)F 37490870 343172203 /nfs/dbraw/zinc/17/22/03/343172203.db2.gz QXNZBIGIEQHXBH-RNFRBKRXSA-N 0 0 197.200 1.442 10 0 ADAERN Cc1cc(Cl)nc(-c2nc[nH]n2)n1 37504359 343172210 /nfs/dbraw/zinc/17/22/10/343172210.db2.gz WXTBGFLMZGEJPF-UHFFFAOYSA-N 0 0 195.613 1.224 10 0 ADAERN Cc1c[nH]c(C)c1C=O 37624294 343172529 /nfs/dbraw/zinc/17/25/29/343172529.db2.gz NLEHTGOUPMZIMK-UHFFFAOYSA-N 0 0 123.155 1.444 10 0 ADAERN Cc1cc(Cl)cc(C(N)=O)c1N 37594058 343172546 /nfs/dbraw/zinc/17/25/46/343172546.db2.gz GJPVEWHLNAWLNW-UHFFFAOYSA-N 0 0 184.626 1.330 10 0 ADAERN Cc1ccc(/C=C/CO)o1 37625474 343172580 /nfs/dbraw/zinc/17/25/80/343172580.db2.gz OXVNQKUCCBGUMU-NSCUHMNNSA-N 0 0 138.166 1.594 10 0 ADAERN O=Nc1ccccc1O 37631736 343172698 /nfs/dbraw/zinc/17/26/98/343172698.db2.gz SEEZWGFVHCMHJF-UHFFFAOYSA-N 0 0 123.111 1.790 10 0 ADAERN COC(OC)(c1ccccc1)N(C)C 37628427 343172760 /nfs/dbraw/zinc/17/27/60/343172760.db2.gz DLYZPQGVPVAEME-UHFFFAOYSA-N 0 0 195.262 1.651 10 0 ADAERN Cc1ccccc1-n1cnc(N)n1 37638627 343172790 /nfs/dbraw/zinc/17/27/90/343172790.db2.gz SDDYJVOUQVIXRF-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCC(C)(CC)NC#N 37632012 343172875 /nfs/dbraw/zinc/17/28/75/343172875.db2.gz PZTILVCUCBXYBH-UHFFFAOYSA-N 0 0 126.203 1.636 10 0 ADAERN CC(=O)O[C@@H](C)c1ccccn1 37632973 343172882 /nfs/dbraw/zinc/17/28/82/343172882.db2.gz QLLUWUDOCNQQAH-ZETCQYMHSA-N 0 0 165.192 1.706 10 0 ADAERN CCc1nc(=O)[nH]n1-c1ccccc1 37638255 343172901 /nfs/dbraw/zinc/17/29/01/343172901.db2.gz DTNLWBHDGUDNBL-UHFFFAOYSA-N 0 0 189.218 1.535 10 0 ADAERN Cc1ccc(-n2cnc(N)n2)cc1 37638626 343172980 /nfs/dbraw/zinc/17/29/80/343172980.db2.gz BSGSXIVGXBSEME-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C[C@H](CO)Nc1cc(N)cc(F)c1 37667981 343173190 /nfs/dbraw/zinc/17/31/90/343173190.db2.gz PVXLTGMRUWZJLR-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@H](O)CNc1cc(N)cc(F)c1 37667978 343173209 /nfs/dbraw/zinc/17/32/09/343173209.db2.gz VGGPYMRVOAPKFK-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN CN(CCCCO)CC(F)(F)F 37665258 343173283 /nfs/dbraw/zinc/17/32/83/343173283.db2.gz NKRDGOOOEGPHLS-UHFFFAOYSA-N 0 0 185.189 1.253 10 0 ADAERN CC[C@@H](CO)Nc1cc(N)cc(F)c1 37667973 343173381 /nfs/dbraw/zinc/17/33/81/343173381.db2.gz PODKGYUBCHSQAA-VIFPVBQESA-N 0 0 198.241 1.591 10 0 ADAERN CN(CC(F)(F)F)[C@H]1CCCC1=O 37665147 343173383 /nfs/dbraw/zinc/17/33/83/343173383.db2.gz SFWNZHHEJJZKGP-LURJTMIESA-N 0 0 195.184 1.602 10 0 ADAERN CC[C@H](CO)Nc1cc(N)cc(F)c1 37667974 343173418 /nfs/dbraw/zinc/17/34/18/343173418.db2.gz PODKGYUBCHSQAA-SECBINFHSA-N 0 0 198.241 1.591 10 0 ADAERN Cc1cccc(SCCO)n1 37670796 343173734 /nfs/dbraw/zinc/17/37/34/343173734.db2.gz FASIHMKNAPDITE-UHFFFAOYSA-N 0 0 169.249 1.474 10 0 ADAERN Cc1cnn(Cc2csc(N)n2)c1 37677374 343173795 /nfs/dbraw/zinc/17/37/95/343173795.db2.gz LIWKOAXXJHONSX-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1nn(C)c(SC(C)C)c1N 37685021 343173797 /nfs/dbraw/zinc/17/37/97/343173797.db2.gz XAILCZYZHHVPIM-UHFFFAOYSA-N 0 0 185.296 1.811 10 0 ADAERN Cc1cccc(NC2CCOCC2)n1 37670740 343173806 /nfs/dbraw/zinc/17/38/06/343173806.db2.gz QAXMESRZRJEKRD-UHFFFAOYSA-N 0 0 192.262 1.981 10 0 ADAERN Cc1cnn(-c2ccccn2)c1 37676745 343173813 /nfs/dbraw/zinc/17/38/13/343173813.db2.gz CQQJSAWMJGLAMP-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN Cc1cnn(-c2ccccc2CO)c1 37677480 343173842 /nfs/dbraw/zinc/17/38/42/343173842.db2.gz STEAFWTWJDIQDN-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN Cc1cnn(-c2nc(C)cc(C)n2)c1 37676739 343173846 /nfs/dbraw/zinc/17/38/46/343173846.db2.gz MGHFDQVLGHOGEY-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN Cc1cnn(Cc2ccccc2N)c1 37676903 343173852 /nfs/dbraw/zinc/17/38/52/343173852.db2.gz LVAUHTPQTKCNQS-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN Cc1cnn(-c2cccc(F)c2N)c1 37676797 343173856 /nfs/dbraw/zinc/17/38/56/343173856.db2.gz ZAFJNRVGZUGBHB-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1cnn(CC(C)C)c1 37676734 343173862 /nfs/dbraw/zinc/17/38/62/343173862.db2.gz JQYNCYHDHRPQJX-UHFFFAOYSA-N 0 0 138.214 1.848 10 0 ADAERN Cc1cccc(Nc2cnn(C)c2)n1 37670716 343173887 /nfs/dbraw/zinc/17/38/87/343173887.db2.gz GFIIBJULMCDLHU-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Cc1cnn(-c2ccc(N)nc2)c1 37676764 343173895 /nfs/dbraw/zinc/17/38/95/343173895.db2.gz FZTXJGCIEXKBLI-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccc(NC[C@@H](C)O)cc1F 37687811 343174092 /nfs/dbraw/zinc/17/40/92/343174092.db2.gz JTPYJJXHTXADMV-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN C[C@H](O)CNc1cc(F)ccc1F 37687767 343174102 /nfs/dbraw/zinc/17/41/02/343174102.db2.gz WFJMDDKFYNUWGT-LURJTMIESA-N 0 0 187.189 1.758 10 0 ADAERN Cc1ccc(F)c(NC[C@@H](C)O)c1 37687847 343174120 /nfs/dbraw/zinc/17/41/20/343174120.db2.gz CZJUEHIRSWQNRX-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN C[C@H](O)CNc1ccc(N(C)C)cc1 37687917 343174210 /nfs/dbraw/zinc/17/42/10/343174210.db2.gz JRMWFZXEQILMKG-VIFPVBQESA-N 0 0 194.278 1.545 10 0 ADAERN C[C@H](O)CNc1cc(F)cc(F)c1 37687817 343174221 /nfs/dbraw/zinc/17/42/21/343174221.db2.gz ZNTZFPOHVAZDBC-LURJTMIESA-N 0 0 187.189 1.758 10 0 ADAERN C[C@H](O)CSc1ncccc1N 37688083 343174228 /nfs/dbraw/zinc/17/42/28/343174228.db2.gz WEOVUDNJGZOXBQ-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN C[C@H](O)CSc1ccc(N)nc1 37688087 343174236 /nfs/dbraw/zinc/17/42/36/343174236.db2.gz HSSLZVSAUKGQSE-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN C[C@H](O)CSc1ccc(N)cn1 37688085 343174256 /nfs/dbraw/zinc/17/42/56/343174256.db2.gz MROJCGGQXHTMFF-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN Cc1ccc(NC[C@H](C)O)c(F)c1 37687840 343174266 /nfs/dbraw/zinc/17/42/66/343174266.db2.gz GERXOIYLUNRSKM-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1ccc(F)c(NC[C@H](C)O)c1 37687848 343174286 /nfs/dbraw/zinc/17/42/86/343174286.db2.gz CZJUEHIRSWQNRX-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN C[C@H](O)CNc1ccc(F)cc1F 37687807 343174292 /nfs/dbraw/zinc/17/42/92/343174292.db2.gz YCQUEWFQSYXKFJ-LURJTMIESA-N 0 0 187.189 1.758 10 0 ADAERN C[C@H](O)CNc1c(F)cccc1F 37687853 343174296 /nfs/dbraw/zinc/17/42/96/343174296.db2.gz HQTNLIHRUSGEJR-LURJTMIESA-N 0 0 187.189 1.758 10 0 ADAERN Cc1ccc(F)cc1NC[C@H](C)O 37687810 343174313 /nfs/dbraw/zinc/17/43/13/343174313.db2.gz OUUAIGSYNYUPDN-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1ccc(NC[C@@H](C)O)c(F)c1 37687839 343174346 /nfs/dbraw/zinc/17/43/46/343174346.db2.gz GERXOIYLUNRSKM-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN CN(CC(F)(F)F)[C@@H]1CCC[C@@H]1O 37694193 343175947 /nfs/dbraw/zinc/17/59/47/343175947.db2.gz PXTKNGVRUBKORI-RQJHMYQMSA-N 0 0 197.200 1.394 10 0 ADAERN CC[C@H](O)COc1cccc(OC)c1 37695228 343176134 /nfs/dbraw/zinc/17/61/34/343176134.db2.gz GUFFNABZSODYQI-VIFPVBQESA-N 0 0 196.246 1.845 10 0 ADAERN CC[C@@H](O)COc1ccccc1 37695672 343176142 /nfs/dbraw/zinc/17/61/42/343176142.db2.gz ADCQEPDJMQFARS-SECBINFHSA-N 0 0 166.220 1.836 10 0 ADAERN CC[C@H](O)COc1ccccc1OC 37695798 343176164 /nfs/dbraw/zinc/17/61/64/343176164.db2.gz WYSCQDIKGHVGMR-VIFPVBQESA-N 0 0 196.246 1.845 10 0 ADAERN COc1cccc(OCC(C)(C)O)c1 37695247 343176183 /nfs/dbraw/zinc/17/61/83/343176183.db2.gz LPOGUXKAXSTVLC-UHFFFAOYSA-N 0 0 196.246 1.845 10 0 ADAERN CC[C@H](O)COc1ccc(OC)cc1 37695878 343176199 /nfs/dbraw/zinc/17/61/99/343176199.db2.gz ZGHPNOXZPCZHJF-VIFPVBQESA-N 0 0 196.246 1.845 10 0 ADAERN COc1ccccc1OCC(C)(C)O 37695815 343176221 /nfs/dbraw/zinc/17/62/21/343176221.db2.gz LSZNCERYCJVHHK-UHFFFAOYSA-N 0 0 196.246 1.845 10 0 ADAERN CC[C@H](O)COc1ccccc1 37695670 343176270 /nfs/dbraw/zinc/17/62/70/343176270.db2.gz ADCQEPDJMQFARS-VIFPVBQESA-N 0 0 166.220 1.836 10 0 ADAERN CC[C@@H](O)COc1ccc(OC)cc1 37695880 343176277 /nfs/dbraw/zinc/17/62/77/343176277.db2.gz ZGHPNOXZPCZHJF-SECBINFHSA-N 0 0 196.246 1.845 10 0 ADAERN CC[C@@H](O)COc1ccccc1OC 37695799 343176353 /nfs/dbraw/zinc/17/63/53/343176353.db2.gz WYSCQDIKGHVGMR-SECBINFHSA-N 0 0 196.246 1.845 10 0 ADAERN CC[C@@H](O)COc1cccc(OC)c1 37695230 343176380 /nfs/dbraw/zinc/17/63/80/343176380.db2.gz GUFFNABZSODYQI-SECBINFHSA-N 0 0 196.246 1.845 10 0 ADAERN C/C=C/CSCC[C@H]([NH3+])C(=O)[O-] 37735406 343177087 /nfs/dbraw/zinc/17/70/87/343177087.db2.gz OZOKEBBUXFJRSO-AIYRYJHASA-N 0 0 189.280 1.098 10 0 ADAERN CC[C@H](C)c1csc(=O)[nH]1 37745475 343177098 /nfs/dbraw/zinc/17/70/98/343177098.db2.gz PIZCVIBVLBASBU-YFKPBYRVSA-N 0 0 157.238 1.950 10 0 ADAERN CC(C)[C@H]1[NH2+][C@@H](C(=O)[O-])CCS1 37737186 343177113 /nfs/dbraw/zinc/17/71/13/343177113.db2.gz NALXZATTWZLJIH-RQJHMYQMSA-N 0 0 189.280 1.148 10 0 ADAERN CC(C)[C@@H]1[NH2+][C@@H](C(=O)[O-])CCS1 37737185 343177122 /nfs/dbraw/zinc/17/71/22/343177122.db2.gz NALXZATTWZLJIH-RNFRBKRXSA-N 0 0 189.280 1.148 10 0 ADAERN Cc1cc(C(N)=S)ccc1O 37733928 343177147 /nfs/dbraw/zinc/17/71/47/343177147.db2.gz MAYYHAKFBXVVBU-UHFFFAOYSA-N 0 0 167.233 1.335 10 0 ADAERN CC(C)[C@H]1[NH2+][C@H](C(=O)[O-])CCS1 37737184 343177166 /nfs/dbraw/zinc/17/71/66/343177166.db2.gz NALXZATTWZLJIH-BQBZGAKWSA-N 0 0 189.280 1.148 10 0 ADAERN CC(C)[C@@H]1[NH2+][C@H](C(=O)[O-])CCS1 37737183 343177186 /nfs/dbraw/zinc/17/71/86/343177186.db2.gz NALXZATTWZLJIH-NKWVEPMBSA-N 0 0 189.280 1.148 10 0 ADAERN Cc1cc(C(N)=S)ccc1N(C)C 37733654 343177313 /nfs/dbraw/zinc/17/73/13/343177313.db2.gz WVXVXNUWSCAVOM-UHFFFAOYSA-N 0 0 194.303 1.695 10 0 ADAERN CC[C@H](C)[C@@]1(C)CC(=O)NC1=O 37745471 343177362 /nfs/dbraw/zinc/17/73/62/343177362.db2.gz QQKLUMHLIGTVPP-IMTBSYHQSA-N 0 0 169.224 1.085 10 0 ADAERN CCn1cc(NCC(C)C)ccc1=O 37773843 343177949 /nfs/dbraw/zinc/17/79/49/343177949.db2.gz OGMOIWSNJARHPL-UHFFFAOYSA-N 0 0 194.278 1.936 10 0 ADAERN CCn1cc(NCC2CC2)ccc1=O 37774100 343178045 /nfs/dbraw/zinc/17/80/45/343178045.db2.gz DFEZVJMXONTMIC-UHFFFAOYSA-N 0 0 192.262 1.690 10 0 ADAERN CC(C)Nc1ccc(=O)n(C)c1 37785279 343178585 /nfs/dbraw/zinc/17/85/85/343178585.db2.gz YDTPRNZQWVXUQS-UHFFFAOYSA-N 0 0 166.224 1.206 10 0 ADAERN CC(C)[C@H](C)Nc1ccc(=O)n(C)c1 37785370 343178649 /nfs/dbraw/zinc/17/86/49/343178649.db2.gz MHDUWYIJJYATEJ-VIFPVBQESA-N 0 0 194.278 1.842 10 0 ADAERN CC[C@H](C)Nc1ccc(=O)n(C)c1 37785539 343178690 /nfs/dbraw/zinc/17/86/90/343178690.db2.gz AUMZTDMLXZQTAV-QMMMGPOBSA-N 0 0 180.251 1.596 10 0 ADAERN Cc1ccc(N[C@H]2COC[C@H]2O)cc1 37882361 343179665 /nfs/dbraw/zinc/17/96/65/343179665.db2.gz MSTJFGAOBIUFPF-WDEREUQCSA-N 0 0 193.246 1.167 10 0 ADAERN Cc1ccc(N[C@H]2COC[C@@H]2O)cc1 37882359 343179799 /nfs/dbraw/zinc/17/97/99/343179799.db2.gz MSTJFGAOBIUFPF-QWRGUYRKSA-N 0 0 193.246 1.167 10 0 ADAERN Cc1cc(C)cc(NC[C@H](O)CO)c1 37880703 343179895 /nfs/dbraw/zinc/17/98/95/343179895.db2.gz SDFRGVHLAXVEGG-NSHDSACASA-N 0 0 195.262 1.069 10 0 ADAERN Cc1cccc(NC[C@H](O)CO)c1C 37882145 343179957 /nfs/dbraw/zinc/17/99/57/343179957.db2.gz IYGWMANGYLRNSF-JTQLQIEISA-N 0 0 195.262 1.069 10 0 ADAERN Cc1nc(CNC2CC2)oc1C 37909152 343180115 /nfs/dbraw/zinc/18/01/15/343180115.db2.gz YZCJTCSAKKUXOL-UHFFFAOYSA-N 0 0 166.224 1.543 10 0 ADAERN C[C@H](Nc1cnn(C)c1)c1cc[nH]n1 37907123 343180135 /nfs/dbraw/zinc/18/01/35/343180135.db2.gz SYSSSMKQRXTKDT-ZETCQYMHSA-N 0 0 191.238 1.316 10 0 ADAERN C[C@H]1CCCN1c1ccc(N)nc1 37910004 343180166 /nfs/dbraw/zinc/18/01/66/343180166.db2.gz JZBDFFAYGDYTLH-QMMMGPOBSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@H]1CCC[N@H+]1C[C@@H](C)C(=O)[O-] 37911377 343180431 /nfs/dbraw/zinc/18/04/31/343180431.db2.gz QAHLMMMEPPTBPM-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@@H]1CCCN1C(N)=S 37914601 343180974 /nfs/dbraw/zinc/18/09/74/343180974.db2.gz IALUBEUGGYZWGU-ZCFIWIBFSA-N 0 0 158.270 1.104 10 0 ADAERN CC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)[O-] 37914295 343181107 /nfs/dbraw/zinc/18/11/07/343181107.db2.gz DJYAFGKRLIFUBC-JGVFFNPUSA-N 0 0 171.240 1.334 10 0 ADAERN CC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)[O-] 37914296 343181178 /nfs/dbraw/zinc/18/11/78/343181178.db2.gz DJYAFGKRLIFUBC-YUMQZZPRSA-N 0 0 171.240 1.334 10 0 ADAERN Cc1nn(C)c(N(C)CC2CC2)c1N 37925039 343181494 /nfs/dbraw/zinc/18/14/94/343181494.db2.gz NWRCMDBKFNMHFJ-UHFFFAOYSA-N 0 0 194.282 1.157 10 0 ADAERN Cc1ccc(NCc2nc[nH]n2)nc1 37920126 343181520 /nfs/dbraw/zinc/18/15/20/343181520.db2.gz TUFMLCLMVAUREF-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN CN(CC1CC1)c1ccc(N)cn1 37925053 343181739 /nfs/dbraw/zinc/18/17/39/343181739.db2.gz CTTSTSOUKZALQB-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN CN(CC1CC1)c1n[nH]c(=S)n1C 37926079 343182231 /nfs/dbraw/zinc/18/22/31/343182231.db2.gz ZJURJGUIPZEKDL-UHFFFAOYSA-N 0 0 198.295 1.324 10 0 ADAERN Cc1nc(CC(C)C)[nH]c(=O)c1C 37947657 343182479 /nfs/dbraw/zinc/18/24/79/343182479.db2.gz FMYUNQQNPKFYRK-UHFFFAOYSA-N 0 0 180.251 1.585 10 0 ADAERN CC[C@@](C)(Nc1ccccc1)C(N)=O 37941959 343182521 /nfs/dbraw/zinc/18/25/21/343182521.db2.gz GJAFBMBQUUBYKO-LLVKDONJSA-N 0 0 192.262 1.753 10 0 ADAERN CC[C@H](Nc1cccc(F)c1)C(N)=O 37945063 343182523 /nfs/dbraw/zinc/18/25/23/343182523.db2.gz PNWNHCBYZDOLTJ-VIFPVBQESA-N 0 0 196.225 1.502 10 0 ADAERN Cc1nc(-c2ccco2)[nH]c(=O)c1C 37947739 343182652 /nfs/dbraw/zinc/18/26/52/343182652.db2.gz XYALKVKNDPVMRK-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN CC[C@@H](Nc1cccc(F)c1)C(N)=O 37945064 343182705 /nfs/dbraw/zinc/18/27/05/343182705.db2.gz PNWNHCBYZDOLTJ-SECBINFHSA-N 0 0 196.225 1.502 10 0 ADAERN C[C@H]1CCCN1c1ncccc1N 38000066 343182967 /nfs/dbraw/zinc/18/29/67/343182967.db2.gz VTFMQQPMERFMHE-QMMMGPOBSA-N 0 0 177.251 1.653 10 0 ADAERN Cc1cc(C)c(C(=O)[O-])c(N(C)C)[nH+]1 37978220 343183077 /nfs/dbraw/zinc/18/30/77/343183077.db2.gz CMGJKDFRAMBXAH-UHFFFAOYSA-N 0 0 194.234 1.463 10 0 ADAERN CCc1c(C)nc(C(C)C)[nH]c1=O 38003905 343183108 /nfs/dbraw/zinc/18/31/08/343183108.db2.gz XRGUVFADPVCFSO-UHFFFAOYSA-N 0 0 180.251 1.764 10 0 ADAERN CCCCNC(=O)NCc1cn[nH]c1 37998805 343183119 /nfs/dbraw/zinc/18/31/19/343183119.db2.gz ABRYQIDYZDSUBM-UHFFFAOYSA-N 0 0 196.254 1.009 10 0 ADAERN CCc1c(C)nc(CC(C)C)[nH]c1=O 38003904 343183157 /nfs/dbraw/zinc/18/31/57/343183157.db2.gz DFEGMYQCYLWPAU-UHFFFAOYSA-N 0 0 194.278 1.839 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@H]1CC(=O)[O-] 38027547 343183405 /nfs/dbraw/zinc/18/34/05/343183405.db2.gz NMADTJOSENHSAX-VIFPVBQESA-N 0 0 185.267 1.724 10 0 ADAERN Cc1cccc2oc([C@H](N)CO)nc12 38052761 343183481 /nfs/dbraw/zinc/18/34/81/343183481.db2.gz GXECXQOVTMISFD-SSDOTTSWSA-N 0 0 192.218 1.128 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@@H]1CC(=O)[O-] 38027546 343183593 /nfs/dbraw/zinc/18/35/93/343183593.db2.gz NMADTJOSENHSAX-SECBINFHSA-N 0 0 185.267 1.724 10 0 ADAERN Cc1cc(-c2cnn(C)c2)ccc1N 38069390 343183887 /nfs/dbraw/zinc/18/38/87/343183887.db2.gz FBAGLNRMXAPBLQ-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1cccc2oc([C@@H](N)CO)nc12 38052762 343183932 /nfs/dbraw/zinc/18/39/32/343183932.db2.gz GXECXQOVTMISFD-ZETCQYMHSA-N 0 0 192.218 1.128 10 0 ADAERN Cc1ccc(C)n1C[C@@H]1COCCO1 38062971 343184052 /nfs/dbraw/zinc/18/40/52/343184052.db2.gz ORUFIPAORNNDMJ-LLVKDONJSA-N 0 0 195.262 1.520 10 0 ADAERN CC(=O)[C@@H](C)n1cc(Cl)cn1 38053772 343184068 /nfs/dbraw/zinc/18/40/68/343184068.db2.gz KXPAVVIFSVJOGS-RXMQYKEDSA-N 0 0 172.615 1.687 10 0 ADAERN CC[C@H](O)CSC 38063916 343184073 /nfs/dbraw/zinc/18/40/73/343184073.db2.gz XSBOTEFGNXKFPP-YFKPBYRVSA-N 0 0 120.217 1.120 10 0 ADAERN Cc1ccc(C)n1C[C@H]1COCCO1 38062972 343184081 /nfs/dbraw/zinc/18/40/81/343184081.db2.gz ORUFIPAORNNDMJ-NSHDSACASA-N 0 0 195.262 1.520 10 0 ADAERN C[C@H](c1ccc(O)cc1)N(C)C=O 38090273 343184441 /nfs/dbraw/zinc/18/44/41/343184441.db2.gz NEOLJQSNPKHSIC-MRVPVSSYSA-N 0 0 179.219 1.541 10 0 ADAERN Cc1cccc(N[C@@H](C)CO)c1 38115360 343184707 /nfs/dbraw/zinc/18/47/07/343184707.db2.gz GAZGHWPQAATWMR-VIFPVBQESA-N 0 0 165.236 1.788 10 0 ADAERN Cc1csc(NC[C@@H]2CCOC2)n1 38094761 343184820 /nfs/dbraw/zinc/18/48/20/343184820.db2.gz RDKLXQUEGFUPSW-QMMMGPOBSA-N 0 0 198.291 1.900 10 0 ADAERN Cc1ccc(N[C@@H](C)CO)cc1 38112478 343184828 /nfs/dbraw/zinc/18/48/28/343184828.db2.gz PQWSNOZKVZVXEQ-VIFPVBQESA-N 0 0 165.236 1.788 10 0 ADAERN Cc1ncc(N)cc1C(=O)NC(C)C 38094787 343184844 /nfs/dbraw/zinc/18/48/44/343184844.db2.gz NOIMMUXLOZJZFM-UHFFFAOYSA-N 0 0 193.250 1.110 10 0 ADAERN C[C@H](CO)Nc1cccc(F)c1 38119303 343184856 /nfs/dbraw/zinc/18/48/56/343184856.db2.gz KGUXXSQVGQJWJU-SSDOTTSWSA-N 0 0 169.199 1.618 10 0 ADAERN C[C@H](CO)Nc1ccc(F)cc1 38114229 343184880 /nfs/dbraw/zinc/18/48/80/343184880.db2.gz BLQGDQUZUPQNGR-SSDOTTSWSA-N 0 0 169.199 1.618 10 0 ADAERN CCCNC(=O)c1cc(N)cnc1C 38094779 343184882 /nfs/dbraw/zinc/18/48/82/343184882.db2.gz OWLDDRASILWXCT-UHFFFAOYSA-N 0 0 193.250 1.112 10 0 ADAERN Cc1ccc(N[C@H](C)CO)cc1 38112479 343184937 /nfs/dbraw/zinc/18/49/37/343184937.db2.gz PQWSNOZKVZVXEQ-SECBINFHSA-N 0 0 165.236 1.788 10 0 ADAERN C[C@H](CO)Nc1ccccc1 38112879 343184979 /nfs/dbraw/zinc/18/49/79/343184979.db2.gz YKDVNAIVOFRLQX-MRVPVSSYSA-N 0 0 151.209 1.479 10 0 ADAERN Cc1cccc(N[C@H](C)CO)c1 38115361 343184989 /nfs/dbraw/zinc/18/49/89/343184989.db2.gz GAZGHWPQAATWMR-SECBINFHSA-N 0 0 165.236 1.788 10 0 ADAERN CCCC(=O)Cc1cc(O)cc(=O)o1 38192133 343185438 /nfs/dbraw/zinc/18/54/38/343185438.db2.gz JZJCWQKETIWUAK-UHFFFAOYSA-N 0 0 196.202 1.257 10 0 ADAERN O[C@@H]1OC[C@H]2CCCC[C@H]21 38220215 343185626 /nfs/dbraw/zinc/18/56/26/343185626.db2.gz SBIFXVKAYSOREW-BWZBUEFSSA-N 0 0 142.198 1.141 10 0 ADAERN Cc1nc(CC2CCCC2)n[nH]1 38137728 343185630 /nfs/dbraw/zinc/18/56/30/343185630.db2.gz LMZSENMMFDTCMX-UHFFFAOYSA-N 0 0 165.240 1.846 10 0 ADAERN C1=N[C@@H](Cc2ccccc2)CO1 38234092 343185915 /nfs/dbraw/zinc/18/59/15/343185915.db2.gz RWGLROKEYRSHME-JTQLQIEISA-N 0 0 161.204 1.656 10 0 ADAERN CC1(C)CCCC[C@@]1(O)CO 38234059 343185919 /nfs/dbraw/zinc/18/59/19/343185919.db2.gz VCPOPMQZQGFWOR-SECBINFHSA-N 0 0 158.241 1.310 10 0 ADAERN NC(=O)CC1=CCCCC1 38233900 343185936 /nfs/dbraw/zinc/18/59/36/343185936.db2.gz ARPGOYVJVNNTCY-UHFFFAOYSA-N 0 0 139.198 1.362 10 0 ADAERN C[C@]12CC=C[C@H]1CC(=O)O2 38233885 343186035 /nfs/dbraw/zinc/18/60/35/343186035.db2.gz OJPWJNJFZWHJAQ-XPUUQOCRSA-N 0 0 138.166 1.268 10 0 ADAERN COC(=O)/C=C/CC/C=C/C(=O)OC 38251773 343186117 /nfs/dbraw/zinc/18/61/17/343186117.db2.gz AISQNSQBYXPSBT-KQQUZDAGSA-N 0 0 198.218 1.225 10 0 ADAERN COCOCCc1ccccc1 38265670 343186124 /nfs/dbraw/zinc/18/61/24/343186124.db2.gz OWZRJNVCWSJEAL-UHFFFAOYSA-N 0 0 166.220 1.850 10 0 ADAERN CC1=CC2(C=C(C)C1=O)OCCO2 38251388 343186149 /nfs/dbraw/zinc/18/61/49/343186149.db2.gz GFUWAABESLFPDB-UHFFFAOYSA-N 0 0 180.203 1.205 10 0 ADAERN COC(=O)[C@H](CC=C(C)C)NC(C)=O 38246946 343186159 /nfs/dbraw/zinc/18/61/59/343186159.db2.gz LSMWMXSKWYATEE-VIFPVBQESA-N 0 0 199.250 1.020 10 0 ADAERN C[C@H](O)[C@@H]1O[C@H]1c1ccccc1 38265620 343186161 /nfs/dbraw/zinc/18/61/61/343186161.db2.gz BBFNHPCLQITQGM-HGNGGELXSA-N 0 0 164.204 1.507 10 0 ADAERN Cc1cc(O)cc(N)c1Cl 38251059 343186172 /nfs/dbraw/zinc/18/61/72/343186172.db2.gz OHQVZCAXLCMUIS-UHFFFAOYSA-N 0 0 157.600 1.936 10 0 ADAERN Cc1cc(OC(C)C)cc(=O)o1 38251210 343186202 /nfs/dbraw/zinc/18/62/02/343186202.db2.gz HBWBDEDQQICEQE-UHFFFAOYSA-N 0 0 168.192 1.735 10 0 ADAERN C#CCCC[C@@H](C(C)=O)C(=O)OC 38266162 343186228 /nfs/dbraw/zinc/18/62/28/343186228.db2.gz FPOXDQXIVZYROY-VIFPVBQESA-N 0 0 182.219 1.168 10 0 ADAERN COc1cc(C=O)cc(C)c1OC 38251390 343186239 /nfs/dbraw/zinc/18/62/39/343186239.db2.gz JLTXBASHJPWWES-UHFFFAOYSA-N 0 0 180.203 1.825 10 0 ADAERN CCc1c(C=O)[nH]c(C=O)c1CC 38251375 343186241 /nfs/dbraw/zinc/18/62/41/343186241.db2.gz FLEUCSJFRKWMHG-UHFFFAOYSA-N 0 0 179.219 1.765 10 0 ADAERN CCC/C=C(\C)CO 38265114 343186252 /nfs/dbraw/zinc/18/62/52/343186252.db2.gz OINVDSYSIBMROP-FNORWQNLSA-N 0 0 114.188 1.725 10 0 ADAERN CC(C)c1nc(C(N)=S)cs1 38266319 343186259 /nfs/dbraw/zinc/18/62/59/343186259.db2.gz DRLJZMNWYCKXNI-UHFFFAOYSA-N 0 0 186.305 1.901 10 0 ADAERN CSC(=S)C=C(C)O 38250990 343186267 /nfs/dbraw/zinc/18/62/67/343186267.db2.gz HDDBIBXOQWQPNJ-UHFFFAOYSA-N 0 0 148.252 1.656 10 0 ADAERN CCOC(=O)/C=C(\C)CCCO 38265866 343186295 /nfs/dbraw/zinc/18/62/95/343186295.db2.gz AAVALQBMHPTCKX-BQYQJAHWSA-N 0 0 172.224 1.268 10 0 ADAERN Nc1nc2c(c3cccnc13)CCO2 38266343 343186310 /nfs/dbraw/zinc/18/63/10/343186310.db2.gz HFPRGDJEHLMSNO-UHFFFAOYSA-N 0 0 187.202 1.147 10 0 ADAERN CC(C)(C)[C@@H]1CCC(=O)[C@H](O)C1 38265807 343186347 /nfs/dbraw/zinc/18/63/47/343186347.db2.gz HSNQTWWDEDZSIH-VXNVDRBHSA-N 0 0 170.252 1.763 10 0 ADAERN C#CCCC[C@H](C(C)=O)C(=O)OC 38266160 343186351 /nfs/dbraw/zinc/18/63/51/343186351.db2.gz FPOXDQXIVZYROY-SECBINFHSA-N 0 0 182.219 1.168 10 0 ADAERN CC(C)(C)[C@H]1CCC(=O)[C@H](O)C1 38265809 343186381 /nfs/dbraw/zinc/18/63/81/343186381.db2.gz HSNQTWWDEDZSIH-IONNQARKSA-N 0 0 170.252 1.763 10 0 ADAERN Oc1ccccc1C1OCCCO1 38282432 343186566 /nfs/dbraw/zinc/18/65/66/343186566.db2.gz WAIBHMASQDAOFP-UHFFFAOYSA-N 0 0 180.203 1.828 10 0 ADAERN Fc1nc2ccccc2o1 38292370 343186605 /nfs/dbraw/zinc/18/66/05/343186605.db2.gz IZTDMTYRMBZHLJ-UHFFFAOYSA-N 0 0 137.113 1.967 10 0 ADAERN COC(=O)Cc1cc(O)cc(OC)c1 38283467 343186613 /nfs/dbraw/zinc/18/66/13/343186613.db2.gz OAGPMUBMXLBBBA-UHFFFAOYSA-N 0 0 196.202 1.116 10 0 ADAERN CCCC[C@H]1C[C@@H]1C(=O)OC 38292533 343186614 /nfs/dbraw/zinc/18/66/14/343186614.db2.gz LMLAOWLMYPQPKR-YUMQZZPRSA-N 0 0 156.225 1.986 10 0 ADAERN O=C(Cc1ccncc1)c1ccncc1 38271561 343186670 /nfs/dbraw/zinc/18/66/70/343186670.db2.gz LXGMDHBZAHEVLT-UHFFFAOYSA-N 0 0 198.225 1.902 10 0 ADAERN CC(=O)[C@@H]1CCCC[C@@H]1O 38338345 343187425 /nfs/dbraw/zinc/18/74/25/343187425.db2.gz GPYOABAXMVHVBU-YUMQZZPRSA-N 0 0 142.198 1.127 10 0 ADAERN CCOP(=O)(C[C@H](C)O)OCC 38312778 343186961 /nfs/dbraw/zinc/18/69/61/343186961.db2.gz KWNMQIWYIFTQKQ-ZETCQYMHSA-N 0 0 196.183 1.633 10 0 ADAERN O[C@@H]1C=CCCCC1 38324742 343187032 /nfs/dbraw/zinc/18/70/32/343187032.db2.gz LFKFDYCJMRQCMD-SSDOTTSWSA-N 0 0 112.172 1.478 10 0 ADAERN C=CC[C@H](C)C(=O)N(C)C 38312159 343187037 /nfs/dbraw/zinc/18/70/37/343187037.db2.gz QWQYDZKWTFNPJK-ZETCQYMHSA-N 0 0 141.214 1.287 10 0 ADAERN COC(=O)C(C)(C)[C@@H](O)C(C)C 38312361 343187039 /nfs/dbraw/zinc/18/70/39/343187039.db2.gz SDBXRSQBXAOFRK-ZETCQYMHSA-N 0 0 174.240 1.203 10 0 ADAERN C[C@]1(O)C[C@H]1c1ccccc1 38338368 343187321 /nfs/dbraw/zinc/18/73/21/343187321.db2.gz NCOYFSPJKUQSEK-UWVGGRQHSA-N 0 0 148.205 1.925 10 0 ADAERN O=C1C[C@H](COCc2ccccc2)O1 38325164 343187350 /nfs/dbraw/zinc/18/73/50/343187350.db2.gz FFZUPFGJEQVPCK-SNVBAGLBSA-N 0 0 192.214 1.519 10 0 ADAERN Cn1c(Br)cnc1Cl 38338926 343187358 /nfs/dbraw/zinc/18/73/58/343187358.db2.gz GMCFQXGDMGJXOU-UHFFFAOYSA-N 0 0 195.447 1.836 10 0 ADAERN C[C@@]1(O)C[C@H]1c1ccccc1 38338369 343187381 /nfs/dbraw/zinc/18/73/81/343187381.db2.gz NCOYFSPJKUQSEK-VHSXEESVSA-N 0 0 148.205 1.925 10 0 ADAERN O=C(OC/C=C/CO)c1ccccc1 38338872 343187402 /nfs/dbraw/zinc/18/74/02/343187402.db2.gz OHEOYILVQDDJIW-SNAWJCMRSA-N 0 0 192.214 1.392 10 0 ADAERN C[C@@]1(O)C[C@@H]1c1ccccc1 38338367 343187429 /nfs/dbraw/zinc/18/74/29/343187429.db2.gz NCOYFSPJKUQSEK-NXEZZACHSA-N 0 0 148.205 1.925 10 0 ADAERN C[C@H]1CC[C@H](C)[NH+]1[C@@H](C)C(=O)[O-] 38342271 343187432 /nfs/dbraw/zinc/18/74/32/343187432.db2.gz GQOWMXZFHLFMGN-FXQIFTODSA-N 0 0 171.240 1.332 10 0 ADAERN NNc1ccc(Cl)c(O)c1 38338410 343187440 /nfs/dbraw/zinc/18/74/40/343187440.db2.gz GTLCZMKAYVCSNJ-UHFFFAOYSA-N 0 0 158.588 1.331 10 0 in-vitro ADAERN C[C@]1(O)C[C@@H]1c1ccccc1 38338366 343187498 /nfs/dbraw/zinc/18/74/98/343187498.db2.gz NCOYFSPJKUQSEK-ZJUUUORDSA-N 0 0 148.205 1.925 10 0 ADAERN Cc1c[nH]c(CO)c1C 38350044 343187759 /nfs/dbraw/zinc/18/77/59/343187759.db2.gz OQDSEJGEJBQLAB-UHFFFAOYSA-N 0 0 125.171 1.124 10 0 ADAERN Cc1ccc(C[C@@H]2CCC(=O)N2)cc1 38363444 343187751 /nfs/dbraw/zinc/18/77/51/343187751.db2.gz YTDDWIMFILMJFM-NSHDSACASA-N 0 0 189.258 1.816 10 0 ADAERN C/C=C/C=N/O 38349991 343187936 /nfs/dbraw/zinc/18/79/36/343187936.db2.gz UKWWWNDNBRTZFR-MQQKCMAXSA-N 0 0 85.106 1.023 10 0 ADAERN COC(=O)C1=C(Cl)CCC1 38350277 343187962 /nfs/dbraw/zinc/18/79/62/343187962.db2.gz VENYKUCNYIQEBO-UHFFFAOYSA-N 0 0 160.600 1.836 10 0 in-vitro ADAERN Cc1cc(N)c(C)c(N)c1 38433670 343188111 /nfs/dbraw/zinc/18/81/11/343188111.db2.gz KRACQCKFIKMTTP-UHFFFAOYSA-N 0 0 136.198 1.468 10 0 ADAERN C=C/C=C\[C@H](C)CO 38433613 343188154 /nfs/dbraw/zinc/18/81/54/343188154.db2.gz HQRVGYKCNTZKGM-MJSGSUOKSA-N 0 0 112.172 1.357 10 0 ADAERN CNC(=O)[C@H](C)C(C)C 38409847 343188207 /nfs/dbraw/zinc/18/82/07/343188207.db2.gz BDVHVHJDMDYWPR-ZCFIWIBFSA-N 0 0 129.203 1.025 10 0 ADAERN CC(C)=CCC[C@@H](C)[C@H](O)CO 38416068 343188225 /nfs/dbraw/zinc/18/82/25/343188225.db2.gz YQXHFURSJJKJQK-NXEZZACHSA-N 0 0 172.268 1.722 10 0 ADAERN Fc1nnc(Br)s1 38386877 343188232 /nfs/dbraw/zinc/18/82/32/343188232.db2.gz HSHDQHVIBDKPRB-UHFFFAOYSA-N 0 0 183.005 1.440 10 0 ADAERN CC(C)NC(=S)c1cccnc1 38416196 343188281 /nfs/dbraw/zinc/18/82/81/343188281.db2.gz FGEXKYCGODMVLU-UHFFFAOYSA-N 0 0 180.276 1.755 10 0 ADAERN Cc1ncoc1-c1nnc(N)s1 38416229 343188289 /nfs/dbraw/zinc/18/82/89/343188289.db2.gz HBLKVPJMMZKZCV-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CCOC(=O)c1cc(O)cc(OC)c1 38416566 343188325 /nfs/dbraw/zinc/18/83/25/343188325.db2.gz BPANXHQPAMCWHS-UHFFFAOYSA-N 0 0 196.202 1.578 10 0 ADAERN CC(C)[C@@H]1CCCO1 39239358 343207522 /nfs/dbraw/zinc/20/75/22/343207522.db2.gz UPNGRUTUSDLBAG-ZETCQYMHSA-N 0 0 114.188 1.821 10 0 ADAERN O=c1cccc(C(F)(F)Cl)[nH]1 38434244 343188557 /nfs/dbraw/zinc/18/85/57/343188557.db2.gz GQSXTPMUMZHPDJ-UHFFFAOYSA-N 0 0 179.553 1.663 10 0 ADAERN Cc1ccc(N)c2c1NCCC2=O 38523255 343188655 /nfs/dbraw/zinc/18/86/55/343188655.db2.gz WAQXFHSRJLDXEH-UHFFFAOYSA-N 0 0 176.219 1.576 10 0 ADAERN Cc1ncoc1C1N=NC(=S)O1 38434411 343188656 /nfs/dbraw/zinc/18/86/56/343188656.db2.gz RFFWYOBGROOVML-UHFFFAOYSA-N 0 0 183.192 1.322 10 0 ADAERN COc1cccc(NC(=O)NO)c1 38523385 343188717 /nfs/dbraw/zinc/18/87/17/343188717.db2.gz SQTWOPXYZFUIIB-UHFFFAOYSA-N 0 0 182.179 1.206 10 0 ADAERN Cc1cc(C)c2c(N)ncnc2n1 38541170 343189213 /nfs/dbraw/zinc/18/92/13/343189213.db2.gz YLPBKMCXEPMALS-UHFFFAOYSA-N 0 0 174.207 1.224 10 0 ADAERN CC[C@@H](O)[C@H]1CCCCO1 38582402 343189277 /nfs/dbraw/zinc/18/92/77/343189277.db2.gz ZQMTXIYQBCMPOW-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@H](O)[C@@H]1CCCCO1 38582396 343189290 /nfs/dbraw/zinc/18/92/90/343189290.db2.gz ZQMTXIYQBCMPOW-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN CCCCCC(=O)OC 38545021 343189387 /nfs/dbraw/zinc/18/93/87/343189387.db2.gz ULAXOEOWYBBUBI-UHFFFAOYSA-N 0 0 129.179 1.554 10 0 ADAERN CC[C@H](O)[C@H]1CCCCO1 38582399 343189391 /nfs/dbraw/zinc/18/93/91/343189391.db2.gz ZQMTXIYQBCMPOW-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@@H](O)[C@@H]1CCCCO1 38582278 343189542 /nfs/dbraw/zinc/18/95/42/343189542.db2.gz ZQMTXIYQBCMPOW-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CC(=O)[C@@H](O)CCc1ccccc1 38583427 343189750 /nfs/dbraw/zinc/18/97/50/343189750.db2.gz KTOZWAALHAIKAM-NSHDSACASA-N 0 0 178.231 1.569 10 0 ADAERN CCc1nc(N)nc2ccccc12 38583232 343189766 /nfs/dbraw/zinc/18/97/66/343189766.db2.gz QRZGSJAFIKQJBR-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN CC(=O)[C@H](O)CCc1ccccc1 38583425 343189774 /nfs/dbraw/zinc/18/97/74/343189774.db2.gz KTOZWAALHAIKAM-LLVKDONJSA-N 0 0 178.231 1.569 10 0 ADAERN Cc1ccc2c(c1N)OCCC2=O 38583395 343189841 /nfs/dbraw/zinc/18/98/41/343189841.db2.gz QLQFQLBDKLJIOY-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN CC(C)[C@H]1CCC[C@@H](C(=O)[O-])[NH2+]1 38583158 343189847 /nfs/dbraw/zinc/18/98/47/343189847.db2.gz WOQRXEWLPJYRPZ-SFYZADRCSA-N 0 0 171.240 1.238 10 0 ADAERN Cc1nccn1-c1ccc(NN)cc1 38592422 343189879 /nfs/dbraw/zinc/18/98/79/343189879.db2.gz BRHBEKFKQWFAPH-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCc1cc(N)c(OC)nc1C 38665540 343190083 /nfs/dbraw/zinc/19/00/83/343190083.db2.gz GCXPYFSPWQHIFU-UHFFFAOYSA-N 0 0 166.224 1.543 10 0 ADAERN COc1ccc2c(c1)cc(N)n2C 38760664 343190128 /nfs/dbraw/zinc/19/01/28/343190128.db2.gz BABQUGZTENNQSB-UHFFFAOYSA-N 0 0 176.219 1.769 10 0 ADAERN CCC(=O)Nc1cnoc1 38665648 343190136 /nfs/dbraw/zinc/19/01/36/343190136.db2.gz ZHOWGXMZPRFDTR-UHFFFAOYSA-N 0 0 140.142 1.023 10 0 ADAERN C/C(=C\CO[C@@H]1CCCCO1)CO 38761274 343190164 /nfs/dbraw/zinc/19/01/64/343190164.db2.gz JXHVEFAOPDYCDN-NAZIUFLLSA-N 0 0 186.251 1.468 10 0 ADAERN CNC(=O)C1(c2ccc(F)cc2)CC1 38716643 343190186 /nfs/dbraw/zinc/19/01/86/343190186.db2.gz YUUCNYNRVCAXBX-UHFFFAOYSA-N 0 0 193.221 1.603 10 0 ADAERN CCC(=O)c1cc(OC)ccc1N 38671838 343190199 /nfs/dbraw/zinc/19/01/99/343190199.db2.gz NNMMVFLYTHFVGU-UHFFFAOYSA-N 0 0 179.219 1.870 10 0 ADAERN CC1(C)CCC[C@H]1C(N)=O 38665188 343190249 /nfs/dbraw/zinc/19/02/49/343190249.db2.gz GLVHZOKJMCMKCK-LURJTMIESA-N 0 0 141.214 1.298 10 0 ADAERN COC(=O)c1[nH]cc2c1CCCC2 38671832 343190251 /nfs/dbraw/zinc/19/02/51/343190251.db2.gz GLTISFHRQZRXPY-UHFFFAOYSA-N 0 0 179.219 1.680 10 0 ADAERN Cc1cc2c(cc1C)OC(=O)C2 38665483 343190253 /nfs/dbraw/zinc/19/02/53/343190253.db2.gz CXJDQCSBHZIGBV-UHFFFAOYSA-N 0 0 162.188 1.765 10 0 ADAERN CC1(C)CCC[C@@H]1C(N)=O 38665186 343190260 /nfs/dbraw/zinc/19/02/60/343190260.db2.gz GLVHZOKJMCMKCK-ZCFIWIBFSA-N 0 0 141.214 1.298 10 0 ADAERN C/C(=C\CO[C@H]1CCCCO1)CO 38761277 343190262 /nfs/dbraw/zinc/19/02/62/343190262.db2.gz JXHVEFAOPDYCDN-CYNRKNSPSA-N 0 0 186.251 1.468 10 0 ADAERN CCCC(=O)N1C(=O)OC[C@H]1C(C)C 38672673 343190318 /nfs/dbraw/zinc/19/03/18/343190318.db2.gz ROUBSHUEYGPLRH-QMMMGPOBSA-N 0 0 199.250 1.790 10 0 ADAERN C=C/C=C/CCCCO 38809850 343190507 /nfs/dbraw/zinc/19/05/07/343190507.db2.gz RALPSXDBLSIJOH-ONEGZZNKSA-N 0 0 126.199 1.891 10 0 ADAERN Cc1nc(C)c(NN)s1 38804411 343190600 /nfs/dbraw/zinc/19/06/00/343190600.db2.gz HACNTENZSAILSC-UHFFFAOYSA-N 0 0 143.215 1.046 10 0 ADAERN COC(=O)/C=C/C(=O)C(C)(C)C 38844416 343191042 /nfs/dbraw/zinc/19/10/42/343191042.db2.gz XPVDNBOOYLQNGW-AATRIKPKSA-N 0 0 170.208 1.331 10 0 ADAERN CCc1cnc(C)c(OC)n1 38842490 343191067 /nfs/dbraw/zinc/19/10/67/343191067.db2.gz GULDDMDHQCDNQX-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN O=C1[C@@H]2C=C[C@@H](C2)N1Cc1ccccc1 38812200 343191075 /nfs/dbraw/zinc/19/10/75/343191075.db2.gz XEFJEWOXUFCIDO-NEPJUHHUSA-N 0 0 199.253 1.974 10 0 ADAERN Cc1cn2c(n1)C(=O)CCC2 38846757 343191122 /nfs/dbraw/zinc/19/11/22/343191122.db2.gz BSOMHGMEAAOHHY-UHFFFAOYSA-N 0 0 150.181 1.168 10 0 ADAERN C/C=C(C)/C(C)=N/OC 38821116 343191157 /nfs/dbraw/zinc/19/11/57/343191157.db2.gz QKDVWZACEXDCRX-BSWSSELBSA-N 0 0 127.187 1.975 10 0 ADAERN Cc1ccc([C@@H](O)CCO)cc1 38865086 343191493 /nfs/dbraw/zinc/19/14/93/343191493.db2.gz PTXIOWUPCBAQBY-JTQLQIEISA-N 0 0 166.220 1.411 10 0 ADAERN Cc1cccc(C2(O)CCOCC2)c1 38866166 343191544 /nfs/dbraw/zinc/19/15/44/343191544.db2.gz FUEVYCNUMABXOJ-UHFFFAOYSA-N 0 0 192.258 1.993 10 0 ADAERN Cc1ccc([C@H](O)CCO)cc1 38865084 343191553 /nfs/dbraw/zinc/19/15/53/343191553.db2.gz PTXIOWUPCBAQBY-SNVBAGLBSA-N 0 0 166.220 1.411 10 0 ADAERN CN(C)C(=O)N[C@@H]1CC=CCC1 38881103 343191584 /nfs/dbraw/zinc/19/15/84/343191584.db2.gz HAXDZDCMLJVQIA-MRVPVSSYSA-N 0 0 168.240 1.366 10 0 ADAERN O=S1CCCCCCC1 38892293 343191953 /nfs/dbraw/zinc/19/19/53/343191953.db2.gz GGBSCFSQYZXHCM-UHFFFAOYSA-N 0 0 146.255 1.699 10 0 ADAERN O=C1CCCCC[C@@H]2O[C@H]12 38890317 343192080 /nfs/dbraw/zinc/19/20/80/343192080.db2.gz IHJVNTRKFXLABI-JGVFFNPUSA-N 0 0 140.182 1.287 10 0 ADAERN COCC(=O)COCc1ccccc1 38916696 343192212 /nfs/dbraw/zinc/19/22/12/343192212.db2.gz FBWFAZCDSCCEBY-UHFFFAOYSA-N 0 0 194.230 1.419 10 0 ADAERN COC(=O)C1CCC([C@H](C)O)CC1 38950270 343192221 /nfs/dbraw/zinc/19/22/21/343192221.db2.gz IJAVPHIPRDVSCA-UEJVZZJDSA-N 0 0 186.251 1.347 10 0 ADAERN Cc1cncc2c1CCC2=O 38915932 343192286 /nfs/dbraw/zinc/19/22/86/343192286.db2.gz DAJRPQGJOXMXSW-UHFFFAOYSA-N 0 0 147.177 1.519 10 0 ADAERN CC(C)Oc1c(C(C)C)c(=O)c1=O 38916398 343192309 /nfs/dbraw/zinc/19/23/09/343192309.db2.gz FBLBQHVIARGWAP-UHFFFAOYSA-N 0 0 182.219 1.193 10 0 ADAERN CCN(O)Cc1ccccc1 38995623 343192508 /nfs/dbraw/zinc/19/25/08/343192508.db2.gz ZYKDGVGFBFWNEC-UHFFFAOYSA-N 0 0 151.209 1.898 10 0 ADAERN CC1(CNC(=O)C(C)(C)C)COC1 38973653 343192651 /nfs/dbraw/zinc/19/26/51/343192651.db2.gz DXBFDJMFHVCHMU-UHFFFAOYSA-N 0 0 185.267 1.185 10 0 ADAERN Cc1ccc([C@H](O)C(C)(C)O)cc1 38996130 343192566 /nfs/dbraw/zinc/19/25/66/343192566.db2.gz RWEKKGXVYOYROM-JTQLQIEISA-N 0 0 180.247 1.799 10 0 ADAERN Cc1cc2c[n+]([O-])ccc2o1 38995605 343192618 /nfs/dbraw/zinc/19/26/18/343192618.db2.gz SICVFCLXWQEUSE-UHFFFAOYSA-N 0 0 149.149 1.375 10 0 ADAERN Cc1ccc([C@@H](O)C(C)(C)O)cc1 38996131 343192631 /nfs/dbraw/zinc/19/26/31/343192631.db2.gz RWEKKGXVYOYROM-SNVBAGLBSA-N 0 0 180.247 1.799 10 0 ADAERN Cc1ccc(CNO)o1 38972843 343192640 /nfs/dbraw/zinc/19/26/40/343192640.db2.gz YVYDUGZFUUHKKV-UHFFFAOYSA-N 0 0 127.143 1.067 10 0 ADAERN Cc1nc2[nH]c3ccccc3c2c(=O)[nH]1 38996730 343192873 /nfs/dbraw/zinc/19/28/73/343192873.db2.gz GJWKLOMVVVOJAJ-UHFFFAOYSA-N 0 0 199.213 1.713 10 0 ADAERN CCOC(=O)CCc1ncccc1O 39018204 343192876 /nfs/dbraw/zinc/19/28/76/343192876.db2.gz YYQIPQVKWQEMIY-UHFFFAOYSA-N 0 0 195.218 1.283 10 0 ADAERN O[C@H]1CCC=C(c2ccccc2)[C@H]1O 38996410 343192883 /nfs/dbraw/zinc/19/28/83/343192883.db2.gz HNPNKDHYYMPQFE-NWDGAFQWSA-N 0 0 190.242 1.586 10 0 ADAERN CCc1cc(C(=O)OC)[nH]c1C 39017478 343192959 /nfs/dbraw/zinc/19/29/59/343192959.db2.gz IAOQEEPAQCSUEB-UHFFFAOYSA-N 0 0 167.208 1.672 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](C)[C@H](O)[C@@H]1O 39017599 343193097 /nfs/dbraw/zinc/19/30/97/343193097.db2.gz WQFGPARDTSBVLU-XFWSIPNHSA-N 0 0 172.268 1.410 10 0 ADAERN Cc1c(N)ccc2c1OCC2 39048427 343193205 /nfs/dbraw/zinc/19/32/05/343193205.db2.gz GLKDIFFQNOVPHO-UHFFFAOYSA-N 0 0 149.193 1.512 10 0 ADAERN COC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C 39038869 343193333 /nfs/dbraw/zinc/19/33/33/343193333.db2.gz QRXXFLLOPHGEAR-JGVFFNPUSA-N 0 0 184.235 1.411 10 0 ADAERN CN1CCC(c2ccccc2)=N1 39038327 343193346 /nfs/dbraw/zinc/19/33/46/343193346.db2.gz CJZUAMFJUYJULQ-UHFFFAOYSA-N 0 0 160.220 1.726 10 0 ADAERN Nc1cc(-c2ccco2)on1 39048570 343193391 /nfs/dbraw/zinc/19/33/91/343193391.db2.gz CBHCIROMQKATKY-UHFFFAOYSA-N 0 0 150.137 1.517 10 0 ADAERN CO[C@H]1CCCC[C@]12CNC(=O)C2 39038842 343193402 /nfs/dbraw/zinc/19/34/02/343193402.db2.gz MQPNQTONBKYASX-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN Cc1ccc(N)cc1NC=O 39048738 343193413 /nfs/dbraw/zinc/19/34/13/343193413.db2.gz TZXNQOKMJUEVBI-UHFFFAOYSA-N 0 0 150.181 1.146 10 0 ADAERN Cc1cc(N)ccc1NC=O 39048594 343193430 /nfs/dbraw/zinc/19/34/30/343193430.db2.gz MFTSRYWZMFNUBH-UHFFFAOYSA-N 0 0 150.181 1.146 10 0 ADAERN Cc1ccnc2c1C(=O)CC2 39051142 343193576 /nfs/dbraw/zinc/19/35/76/343193576.db2.gz RKKGGEIIGDJKBM-UHFFFAOYSA-N 0 0 147.177 1.519 10 0 ADAERN Cc1ccc2c(n1)O[C@@H](C)C2 39050311 343193591 /nfs/dbraw/zinc/19/35/91/343193591.db2.gz KAHGDOPALIVEMS-ZETCQYMHSA-N 0 0 149.193 1.713 10 0 ADAERN C[C@H]1OC(=O)c2ncccc21 39050571 343193604 /nfs/dbraw/zinc/19/36/04/343193604.db2.gz PXXQYLRPLVYKTO-RXMQYKEDSA-N 0 0 149.149 1.313 10 0 ADAERN Cc1coc2cc[n+]([O-])cc12 39050794 343193649 /nfs/dbraw/zinc/19/36/49/343193649.db2.gz GMQJPIAONVJFKN-UHFFFAOYSA-N 0 0 149.149 1.375 10 0 ADAERN Cc1cccc(N=O)n1 39050053 343193651 /nfs/dbraw/zinc/19/36/51/343193651.db2.gz UGHCXFVGHWJJOG-UHFFFAOYSA-N 0 0 122.127 1.788 10 0 ADAERN C[C@H](CO)c1cccnc1 39050990 343193659 /nfs/dbraw/zinc/19/36/59/343193659.db2.gz UWGLUJFAHOUNKV-SSDOTTSWSA-N 0 0 137.182 1.177 10 0 ADAERN CCc1ccc(N)[nH+]c1C 39050849 343193693 /nfs/dbraw/zinc/19/36/93/343193693.db2.gz GIVMIMWEAUEZST-UHFFFAOYSA-N 0 0 136.198 1.535 10 0 ADAERN CCc1ccc(OC)cn1 39050742 343193697 /nfs/dbraw/zinc/19/36/97/343193697.db2.gz GWPCZOQHIBKZHD-UHFFFAOYSA-N 0 0 137.182 1.653 10 0 ADAERN Cc1ccc(C=C=O)cc1 39049064 343193701 /nfs/dbraw/zinc/19/37/01/343193701.db2.gz SDOGCQCEZASWLS-UHFFFAOYSA-N 0 0 132.162 1.840 10 0 ADAERN Cc1ccc2c(n1)CCC2=O 39051140 343193713 /nfs/dbraw/zinc/19/37/13/343193713.db2.gz ODQSLFUIWYKPTG-UHFFFAOYSA-N 0 0 147.177 1.519 10 0 ADAERN CCc1cc[n+]([O-])cc1F 39050738 343193745 /nfs/dbraw/zinc/19/37/45/343193745.db2.gz XIHIONJYTKISKN-UHFFFAOYSA-N 0 0 141.145 1.022 10 0 ADAERN CC1=NC2=CCC=NC2=C1 39050541 343193771 /nfs/dbraw/zinc/19/37/71/343193771.db2.gz WLRPLMGGEGCLEU-UHFFFAOYSA-N 0 0 132.166 1.703 10 0 ADAERN Cc1ccc(C[NH+](C)C)nc1 39050392 343193810 /nfs/dbraw/zinc/19/38/10/343193810.db2.gz KRWAHQIBXLDNAE-UHFFFAOYSA-N 0 0 150.225 1.452 10 0 ADAERN CCc1ccc(CO)cn1 39050346 343193834 /nfs/dbraw/zinc/19/38/34/343193834.db2.gz HQVCSYRWRQWQOV-UHFFFAOYSA-N 0 0 137.182 1.136 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccccn1 39051511 343193836 /nfs/dbraw/zinc/19/38/36/343193836.db2.gz RUOXJEYBRHDREV-IONNQARKSA-N 0 0 149.193 1.309 10 0 ADAERN Cc1c(O)nc[nH]c1=S 39052780 343193908 /nfs/dbraw/zinc/19/39/08/343193908.db2.gz LWQMEUQVVJYPHK-UHFFFAOYSA-N 0 0 142.183 1.153 10 0 ADAERN Cc1cc(C)[nH]c(=O)n1 39052853 343193929 /nfs/dbraw/zinc/19/39/29/343193929.db2.gz IJLPYCIXMNLXNJ-UHFFFAOYSA-N 0 0 124.143 1.432 10 0 ADAERN Cc1nccc(CC(C)C)n1 39052378 343193996 /nfs/dbraw/zinc/19/39/96/343193996.db2.gz YONXYGSIBALUAO-UHFFFAOYSA-N 0 0 150.225 1.984 10 0 ADAERN Cc1ncnc2sccc12 39052629 343194006 /nfs/dbraw/zinc/19/40/06/343194006.db2.gz DHQZOCRPDGMHRT-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN CCc1cnc(OC)nc1 39052449 343194017 /nfs/dbraw/zinc/19/40/17/343194017.db2.gz DBASJPDGFMOOBG-UHFFFAOYSA-N 0 0 138.170 1.048 10 0 ADAERN Cc1c2ccoc2cc[n+]1[O-] 39051802 343194039 /nfs/dbraw/zinc/19/40/39/343194039.db2.gz QEZVRCDXSJPZOC-UHFFFAOYSA-N 0 0 149.149 1.375 10 0 ADAERN C[C@H]1Oc2ncccc2C1=O 39051923 343194070 /nfs/dbraw/zinc/19/40/70/343194070.db2.gz JOWDJQPKMGBDOR-RXMQYKEDSA-N 0 0 149.149 1.045 10 0 ADAERN CN(C)/C=C/c1ccccn1 39051533 343194087 /nfs/dbraw/zinc/19/40/87/343194087.db2.gz RKBYFFZYJDNCQL-SOFGYWHQSA-N 0 0 148.209 1.614 10 0 ADAERN Cc1cc(F)c[n+]([O-])c1C 39051856 343194091 /nfs/dbraw/zinc/19/40/91/343194091.db2.gz GGMFFQOCDRQTKB-UHFFFAOYSA-N 0 0 141.145 1.076 10 0 ADAERN C[C@H]1Oc2cnccc2C1=O 39051968 343194093 /nfs/dbraw/zinc/19/40/93/343194093.db2.gz OZQXPHITVRUPFZ-RXMQYKEDSA-N 0 0 149.149 1.045 10 0 ADAERN Cc1ccnc2c1CCO2 39051689 343194121 /nfs/dbraw/zinc/19/41/21/343194121.db2.gz DDWMZYNZLCMJSO-UHFFFAOYSA-N 0 0 135.166 1.325 10 0 ADAERN CC1(c2ncc(O)cn2)CC1 39052866 343194127 /nfs/dbraw/zinc/19/41/27/343194127.db2.gz ZENRVVIKUGMLAT-UHFFFAOYSA-N 0 0 150.181 1.234 10 0 ADAERN Cc1ncc(Cl)c(F)n1 39052654 343194134 /nfs/dbraw/zinc/19/41/34/343194134.db2.gz KNQQFACZECKXSU-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN Cc1cc(C)nc(N=O)n1 39052555 343194148 /nfs/dbraw/zinc/19/41/48/343194148.db2.gz JFOBHDWODYIOAO-UHFFFAOYSA-N 0 0 137.142 1.491 10 0 ADAERN Cc1ncc2[nH]c(C)cc2n1 39052692 343194150 /nfs/dbraw/zinc/19/41/50/343194150.db2.gz MFYXPMUHZGGYBZ-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN Cc1nc(F)ncc1Cl 39052652 343194166 /nfs/dbraw/zinc/19/41/66/343194166.db2.gz GSFHLLCYYCQJSO-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN C/C=C\CNc1ncccn1 39052459 343194170 /nfs/dbraw/zinc/19/41/70/343194170.db2.gz FMVYXHVQJKXJRI-IHWYPQMZSA-N 0 0 149.197 1.465 10 0 ADAERN Cc1cc(NC=O)cc(C)n1 39051647 343194180 /nfs/dbraw/zinc/19/41/80/343194180.db2.gz UBLJZOIZCKOBIS-UHFFFAOYSA-N 0 0 150.181 1.267 10 0 ADAERN Cc1ncc2c(n1)[C@H](C)OC2 39053314 343194273 /nfs/dbraw/zinc/19/42/73/343194273.db2.gz NFFYLZWKFLCOPG-YFKPBYRVSA-N 0 0 150.181 1.376 10 0 ADAERN Cc1cc2cncnc2s1 39053093 343194278 /nfs/dbraw/zinc/19/42/78/343194278.db2.gz YRKLSHRTNVQVIQ-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN Cc1nc(F)nc(F)c1C 39053537 343194287 /nfs/dbraw/zinc/19/42/87/343194287.db2.gz FIXRGZVHBZOALM-UHFFFAOYSA-N 0 0 144.124 1.372 10 0 ADAERN Cc1nc(F)c(C)c(F)n1 39053535 343194298 /nfs/dbraw/zinc/19/42/98/343194298.db2.gz CSRMECUKFDYXJZ-UHFFFAOYSA-N 0 0 144.124 1.372 10 0 ADAERN CN(C)/C=C\c1ccncn1 39053469 343194299 /nfs/dbraw/zinc/19/42/99/343194299.db2.gz MZEMTDHEIXQJAS-XQRVVYSFSA-N 0 0 149.197 1.009 10 0 ADAERN Cc1ncc2ccn(C)c2n1 39053618 343194303 /nfs/dbraw/zinc/19/43/03/343194303.db2.gz CAPLIPOGPNGOGJ-UHFFFAOYSA-N 0 0 147.181 1.277 10 0 ADAERN CCC(=O)c1ccnc(C)n1 39052966 343194310 /nfs/dbraw/zinc/19/43/10/343194310.db2.gz FBXLHVPFXKEIKW-UHFFFAOYSA-N 0 0 150.181 1.378 10 0 ADAERN CCCCc1ncccn1 39053064 343194350 /nfs/dbraw/zinc/19/43/50/343194350.db2.gz ZXAIYDYMRWTSSV-UHFFFAOYSA-N 0 0 136.198 1.819 10 0 ADAERN CC(C)c1ncc(O)cn1 39052978 343194367 /nfs/dbraw/zinc/19/43/67/343194367.db2.gz XCEXBOISODMPOG-UHFFFAOYSA-N 0 0 138.170 1.306 10 0 ADAERN Cc1nc(C)c2ccoc2n1 39053449 343194379 /nfs/dbraw/zinc/19/43/79/343194379.db2.gz VQYHSDKUVWYIJI-UHFFFAOYSA-N 0 0 148.165 1.840 10 0 ADAERN CCCC(=O)c1cncnc1 39053136 343194389 /nfs/dbraw/zinc/19/43/89/343194389.db2.gz LGDDOTUJKRHQFH-UHFFFAOYSA-N 0 0 150.181 1.459 10 0 ADAERN CC(C)c1nccc(F)n1 39052959 343194414 /nfs/dbraw/zinc/19/44/14/343194414.db2.gz WMNXDQSYZXKECX-UHFFFAOYSA-N 0 0 140.161 1.739 10 0 ADAERN CCCC(=O)c1ccncn1 39053137 343194453 /nfs/dbraw/zinc/19/44/53/343194453.db2.gz HAAQMLCEVBHLIY-UHFFFAOYSA-N 0 0 150.181 1.459 10 0 ADAERN CCCCc1ccncn1 39053361 343194463 /nfs/dbraw/zinc/19/44/63/343194463.db2.gz LQWHJRRVAUXIST-UHFFFAOYSA-N 0 0 136.198 1.819 10 0 ADAERN Cc1[nH]c2ncncc2c1C 39053615 343194490 /nfs/dbraw/zinc/19/44/90/343194490.db2.gz BRNRTVRFCFLGHR-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN CCc1cc(C)ncn1 39052897 343194507 /nfs/dbraw/zinc/19/45/07/343194507.db2.gz FXQWSCWGPBMTHP-UHFFFAOYSA-N 0 0 122.171 1.347 10 0 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CC(C)c1nc2cncnc2[nH]1 39103845 343198916 /nfs/dbraw/zinc/19/89/16/343198916.db2.gz HMOAZVUOEBMMER-UHFFFAOYSA-N 0 0 162.196 1.476 10 0 ADAERN CCCC1=NC(=O)C(=C(C)C)N1 39104118 343198950 /nfs/dbraw/zinc/19/89/50/343198950.db2.gz WAEJWQUDYGVHDX-UHFFFAOYSA-N 0 0 166.224 1.609 10 0 ADAERN CC(C)c1nnc2ccccn12 39103772 343198953 /nfs/dbraw/zinc/19/89/53/343198953.db2.gz AFSHOBKMWHIQMF-UHFFFAOYSA-N 0 0 161.208 1.853 10 0 ADAERN CC(C)c1cnnc(N(C)C)c1 39104050 343199000 /nfs/dbraw/zinc/19/90/00/343199000.db2.gz AJJGLIYRBSQLSB-UHFFFAOYSA-N 0 0 165.240 1.666 10 0 ADAERN Cc1ncc(C(C)C)[n+]([O-])c1C 39104126 343199002 /nfs/dbraw/zinc/19/90/02/343199002.db2.gz ZISRRVLIYGWHTF-UHFFFAOYSA-N 0 0 166.224 1.455 10 0 ADAERN CC(C)[C@@]1(C)NC(=O)CS1 39103654 343199016 /nfs/dbraw/zinc/19/90/16/343199016.db2.gz BZLRFGOMOQEYIH-ZETCQYMHSA-N 0 0 159.254 1.222 10 0 ADAERN CC(C)[C@@H]1C=Nc2ccnn2C1 39103862 343199021 /nfs/dbraw/zinc/19/90/21/343199021.db2.gz KPFKHZHSBULGOI-MRVPVSSYSA-N 0 0 163.224 1.871 10 0 ADAERN CC(C)[C@@H]1OCC[C@@H]2CON=C21 39104373 343199185 /nfs/dbraw/zinc/19/91/85/343199185.db2.gz NTFKDXQGFYHDBA-APPZFPTMSA-N 0 0 169.224 1.434 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](C)[C@H](O)[C@H]1O 39104607 343199247 /nfs/dbraw/zinc/19/92/47/343199247.db2.gz WQFGPARDTSBVLU-KATARQTJSA-N 0 0 172.268 1.410 10 0 ADAERN CC(C)[C@H]1C[C@@H]2CON=C2CO1 39104372 343199269 /nfs/dbraw/zinc/19/92/69/343199269.db2.gz KUBPDTBXNSBLDV-VXNVDRBHSA-N 0 0 169.224 1.434 10 0 ADAERN CCC1=N[C@](O)(C(C)C)CS1 39104704 343199287 /nfs/dbraw/zinc/19/92/87/343199287.db2.gz AXXFYVNPLASJBE-MRVPVSSYSA-N 0 0 173.281 1.886 10 0 ADAERN CC(C)[C@H]1CCN2C(=O)CC[C@@H]12 39104217 343199304 /nfs/dbraw/zinc/19/93/04/343199304.db2.gz WYCHUDGORBIDIO-BDAKNGLRSA-N 0 0 167.252 1.653 10 0 ADAERN CC(C)[C@@]12OCCN1CCS2 39104622 343199327 /nfs/dbraw/zinc/19/93/27/343199327.db2.gz XPWFBYZDFFUUCY-QMMMGPOBSA-N 0 0 173.281 1.375 10 0 ADAERN CC(C)[C@@H]1CCC[C@@H](C(=O)[O-])[NH2+]1 39104490 343199342 /nfs/dbraw/zinc/19/93/42/343199342.db2.gz WOQRXEWLPJYRPZ-YUMQZZPRSA-N 0 0 171.240 1.238 10 0 ADAERN CC1=NC[C@@H](C(C)C)N=C1C 39113417 343199470 /nfs/dbraw/zinc/19/94/70/343199470.db2.gz NPCOMLMKCBZSIX-VIFPVBQESA-N 0 0 152.241 1.946 10 0 ADAERN CC[C@]1(O)C[C@@H](O)c2c1ccnc2F 39112598 343199478 /nfs/dbraw/zinc/19/94/78/343199478.db2.gz NTOYWHCALWQJAY-XCBNKYQSSA-N 0 0 197.209 1.255 10 0 ADAERN Cc1cc(-c2ccnnc2)on1 39113102 343199488 /nfs/dbraw/zinc/19/94/88/343199488.db2.gz HZDBCXVQINNBGO-UHFFFAOYSA-N 0 0 161.164 1.440 10 0 ADAERN Cc1cnc2c(n1)CSC2 39113399 343199515 /nfs/dbraw/zinc/19/95/15/343199515.db2.gz DRBDUVZKSXKWJE-UHFFFAOYSA-N 0 0 152.222 1.532 10 0 ADAERN Cc1cc(-c2cccn2C)on1 39113117 343199518 /nfs/dbraw/zinc/19/95/18/343199518.db2.gz LSAOUOBXXJJVOC-UHFFFAOYSA-N 0 0 162.192 1.989 10 0 ADAERN C[C@]12CCCC1=CC(=O)OC2 39111549 343199544 /nfs/dbraw/zinc/19/95/44/343199544.db2.gz YJTTZCPLZMUEAP-SECBINFHSA-N 0 0 152.193 1.660 10 0 ADAERN CNC(=O)c1cc(C(C)C)no1 39113292 343199566 /nfs/dbraw/zinc/19/95/66/343199566.db2.gz CNQYYZLBBOXCFY-UHFFFAOYSA-N 0 0 168.196 1.158 10 0 ADAERN CCc1cnc(N)c(CC)n1 39113414 343199596 /nfs/dbraw/zinc/19/95/96/343199596.db2.gz KSCOWLOGCYJWCN-UHFFFAOYSA-N 0 0 151.213 1.184 10 0 ADAERN CC1=N[C@H]2CCC[C@H]2N=C1C 39113421 343199607 /nfs/dbraw/zinc/19/96/07/343199607.db2.gz UEXCOFAQSFOTPJ-DTORHVGOSA-N 0 0 150.225 1.843 10 0 ADAERN CC(C)c1cc(NC=O)no1 39112943 343199623 /nfs/dbraw/zinc/19/96/23/343199623.db2.gz DSSFRJFQWIKEBB-UHFFFAOYSA-N 0 0 154.169 1.366 10 0 ADAERN C[C@H]1O[C@H](C)c2nccnc21 39113432 343199649 /nfs/dbraw/zinc/19/96/49/343199649.db2.gz YCFSXCYRDVVWBU-PHDIDXHHSA-N 0 0 150.181 1.629 10 0 ADAERN CC[C@@]1(O)C[C@@H](O)c2c1ccnc2F 39112599 343199657 /nfs/dbraw/zinc/19/96/57/343199657.db2.gz NTOYWHCALWQJAY-GMSGAONNSA-N 0 0 197.209 1.255 10 0 ADAERN CC1=NCCN=C1CC(C)C 39113429 343199658 /nfs/dbraw/zinc/19/96/58/343199658.db2.gz VQJLOJIVKFBJCA-UHFFFAOYSA-N 0 0 152.241 1.948 10 0 ADAERN CCc1cc(NC(C)=O)on1 39112925 343199660 /nfs/dbraw/zinc/19/96/60/343199660.db2.gz FRJAHEZFJVSFSP-UHFFFAOYSA-N 0 0 154.169 1.195 10 0 ADAERN CC1=NC[C@H](C(C)C)N=C1C 39113416 343199674 /nfs/dbraw/zinc/19/96/74/343199674.db2.gz NPCOMLMKCBZSIX-SECBINFHSA-N 0 0 152.241 1.946 10 0 ADAERN CC1=N[C@@H]2CCC[C@H]2N=C1C 39113423 343199680 /nfs/dbraw/zinc/19/96/80/343199680.db2.gz UEXCOFAQSFOTPJ-RKDXNWHRSA-N 0 0 150.225 1.843 10 0 ADAERN Cc1cc(C2=CCC[NH2+]C2)no1 39113159 343199689 /nfs/dbraw/zinc/19/96/89/343199689.db2.gz KUJXUWANVKXVGT-UHFFFAOYSA-N 0 0 164.208 1.360 10 0 ADAERN CC[C@]1(O)C[C@H](O)c2c1ccnc2F 39112596 343199691 /nfs/dbraw/zinc/19/96/91/343199691.db2.gz NTOYWHCALWQJAY-XVKPBYJWSA-N 0 0 197.209 1.255 10 0 ADAERN Cc1cc(C2=CCC[NH2+]C2)on1 39113160 343199718 /nfs/dbraw/zinc/19/97/18/343199718.db2.gz YIPFNKUAYXIITD-UHFFFAOYSA-N 0 0 164.208 1.360 10 0 ADAERN C[C@@]12CCCC1=CC(=O)OC2 39111548 343199731 /nfs/dbraw/zinc/19/97/31/343199731.db2.gz YJTTZCPLZMUEAP-VIFPVBQESA-N 0 0 152.193 1.660 10 0 ADAERN C[C@H]1Nc2ccc(N)cc2NC1=O 39114080 343200514 /nfs/dbraw/zinc/20/05/14/343200514.db2.gz IGXSHOLMHOPGEQ-RXMQYKEDSA-N 0 0 177.207 1.021 10 0 ADAERN C[C@H]1Nc2c(N)cccc2NC1=O 39114071 343200530 /nfs/dbraw/zinc/20/05/30/343200530.db2.gz GYUVGPGKWRYRNT-RXMQYKEDSA-N 0 0 177.207 1.021 10 0 ADAERN Cc1nc(CCC(C)C)c[nH]c1=O 39114278 343200537 /nfs/dbraw/zinc/20/05/37/343200537.db2.gz ZIBRTDDEGNHYLY-UHFFFAOYSA-N 0 0 180.251 1.667 10 0 ADAERN CCCN1CCn2cccc2C1=O 39114085 343200554 /nfs/dbraw/zinc/20/05/54/343200554.db2.gz RBMVDFYZBFHZGH-UHFFFAOYSA-N 0 0 178.235 1.354 10 0 ADAERN Cc1nc2cscc2[n+]([O-])c1C 39114277 343200565 /nfs/dbraw/zinc/20/05/65/343200565.db2.gz DLQNUUQLNLVDSY-UHFFFAOYSA-N 0 0 180.232 1.547 10 0 ADAERN CCc1nc2ccccc2nc1N 39113894 343200591 /nfs/dbraw/zinc/20/05/91/343200591.db2.gz WQUWPJYXIWIRPH-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN CC(C)N1CCn2cccc2C1=O 39114084 343200602 /nfs/dbraw/zinc/20/06/02/343200602.db2.gz TVEVYBCOSIWQES-UHFFFAOYSA-N 0 0 178.235 1.352 10 0 ADAERN Cc1cnc2cc(N)cc(C)c2n1 39113900 343200613 /nfs/dbraw/zinc/20/06/13/343200613.db2.gz UWBYOYFMHGAVDC-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN Cc1nc2c(nc1C)[C@@H](O)C[C@@H]2C 39114128 343200615 /nfs/dbraw/zinc/20/06/15/343200615.db2.gz UKOVFBANQMTRGT-XNCJUZBTSA-N 0 0 178.235 1.634 10 0 ADAERN Cc1nc2c(nc1C)[C@H](O)C[C@@H]2C 39114130 343200643 /nfs/dbraw/zinc/20/06/43/343200643.db2.gz UKOVFBANQMTRGT-YLWLKBPMSA-N 0 0 178.235 1.634 10 0 ADAERN Cc1nc2c(nc1C)[C@H](C)C[C@@H]2O 39114127 343200649 /nfs/dbraw/zinc/20/06/49/343200649.db2.gz UKOVFBANQMTRGT-XRGYYRRGSA-N 0 0 178.235 1.634 10 0 ADAERN Cc1cc2c(cc1F)NC(=O)CN2 39114225 343200670 /nfs/dbraw/zinc/20/06/70/343200670.db2.gz BPJHVOVVGNUGJK-UHFFFAOYSA-N 0 0 180.182 1.498 10 0 ADAERN Cc1nc2c(nc1CO)CC[C@H]2C 39114131 343200672 /nfs/dbraw/zinc/20/06/72/343200672.db2.gz FNGONYYVRPMOPJ-ZCFIWIBFSA-N 0 0 178.235 1.327 10 0 ADAERN Cc1cn2ncc(C=O)c2c(C)n1 39113967 343200676 /nfs/dbraw/zinc/20/06/76/343200676.db2.gz PDDKRJIMBWLFRX-UHFFFAOYSA-N 0 0 175.191 1.159 10 0 ADAERN Cc1nc(C)c2ccnn2c1C=O 39113962 343200682 /nfs/dbraw/zinc/20/06/82/343200682.db2.gz DYQBMGSLYNGYJT-UHFFFAOYSA-N 0 0 175.191 1.159 10 0 ADAERN CC[C@H](C)c1c[n+]([O-])c(C)c(C)n1 39114236 343200684 /nfs/dbraw/zinc/20/06/84/343200684.db2.gz HFMLNGVTDQWLQD-ZETCQYMHSA-N 0 0 180.251 1.845 10 0 ADAERN Cc1cnc2cc(C)c(N)cc2n1 39113898 343200693 /nfs/dbraw/zinc/20/06/93/343200693.db2.gz FCHSLXRJUGFKMY-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN Cc1cnc2c(C)cc(N)cc2n1 39113899 343200695 /nfs/dbraw/zinc/20/06/95/343200695.db2.gz VCSLOZYGPQLVCG-UHFFFAOYSA-N 0 0 173.219 1.829 10 0 ADAERN Cc1nc2c(nc1C)[C@H](O)C[C@H]2C 39114129 343200706 /nfs/dbraw/zinc/20/07/06/343200706.db2.gz UKOVFBANQMTRGT-SVGQVSJJSA-N 0 0 178.235 1.634 10 0 ADAERN Cc1nc2nc(C)n(C)c2nc1C 39114002 343200708 /nfs/dbraw/zinc/20/07/08/343200708.db2.gz JQIIWYGZSPYYOL-UHFFFAOYSA-N 0 0 176.223 1.289 10 0 ADAERN CC[C@H](C)c1cnc(C)c(C)[n+]1[O-] 39114234 343200715 /nfs/dbraw/zinc/20/07/15/343200715.db2.gz VWTQSTABRMZWLE-ZETCQYMHSA-N 0 0 180.251 1.845 10 0 ADAERN CC(C)Nc1cncnc1 39120963 343202230 /nfs/dbraw/zinc/20/22/30/343202230.db2.gz ARFGKTYTQMYPCY-UHFFFAOYSA-N 0 0 137.186 1.297 10 0 ADAERN Cc1nc2c(nc1C)SCCN2 39114302 343200866 /nfs/dbraw/zinc/20/08/66/343200866.db2.gz MAPJDIALKYBENZ-UHFFFAOYSA-N 0 0 181.264 1.611 10 0 ADAERN Cc1cc2nc(N)c(N)nc2cc1C 39115302 343201268 /nfs/dbraw/zinc/20/12/68/343201268.db2.gz KHIYQGLZPMKGGF-UHFFFAOYSA-N 0 0 188.234 1.411 10 0 ADAERN Cc1ccn2c(C=O)c(C)cc2n1 39116263 343201295 /nfs/dbraw/zinc/20/12/95/343201295.db2.gz JRYZYMPVVARZFC-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN Cc1[nH]c2c(c1C)C(=O)CC2=O 39115771 343201298 /nfs/dbraw/zinc/20/12/98/343201298.db2.gz JMKQZZHGDWXRQB-UHFFFAOYSA-N 0 0 163.176 1.401 10 0 ADAERN Cc1cc(C)c2nc(C)c(=O)[nH]c2n1 39115379 343201304 /nfs/dbraw/zinc/20/13/04/343201304.db2.gz VZCVIIQZVUMGQY-UHFFFAOYSA-N 0 0 189.218 1.243 10 0 ADAERN CC[C@@]1(C)NC(=O)[C@@H]2CCCN21 39115835 343201306 /nfs/dbraw/zinc/20/13/06/343201306.db2.gz UYAACKQSLQCTSM-CBAPKCEASA-N 0 0 168.240 1.547 10 0 ADAERN CC(C)(F)CCCCO 39115711 343201326 /nfs/dbraw/zinc/20/13/26/343201326.db2.gz XLHBOQBARWJRAK-UHFFFAOYSA-N 0 0 134.194 1.897 10 0 ADAERN CC(C)c1nc2ncccc2[nH]c1=O 39115378 343201353 /nfs/dbraw/zinc/20/13/53/343201353.db2.gz CPLRTZSWHQXLMU-UHFFFAOYSA-N 0 0 189.218 1.442 10 0 ADAERN CC(C)c1nc2cccnc2[nH]c1=O 39115377 343201379 /nfs/dbraw/zinc/20/13/79/343201379.db2.gz CVPGOWOKJNBKBZ-UHFFFAOYSA-N 0 0 189.218 1.854 10 0 ADAERN Cc1cc(CN(C)C)no1 39115784 343201422 /nfs/dbraw/zinc/20/14/22/343201422.db2.gz XUHIUDURJIWDGH-UHFFFAOYSA-N 0 0 140.186 1.045 10 0 ADAERN CC[C@]1(C)NC(=O)[C@H]2CCCN21 39115829 343201429 /nfs/dbraw/zinc/20/14/29/343201429.db2.gz UYAACKQSLQCTSM-VXNVDRBHSA-N 0 0 168.240 1.547 10 0 ADAERN C[C@H]1C(=O)Nc2c1ccccc2=O 39116279 343201452 /nfs/dbraw/zinc/20/14/52/343201452.db2.gz NJQAGYMAYSNVPE-ZCFIWIBFSA-N 0 0 175.187 1.102 10 0 ADAERN Cc1c[nH]c2c(=O)c(O)cccc12 39116273 343201468 /nfs/dbraw/zinc/20/14/68/343201468.db2.gz TUZNWBLANTXYLG-UHFFFAOYSA-N 0 0 175.187 1.542 10 0 ADAERN Cc1cn2nc(C)c(C=O)c2c(C)n1 39115384 343201476 /nfs/dbraw/zinc/20/14/76/343201476.db2.gz DVNMXDVEXBXNJR-UHFFFAOYSA-N 0 0 189.218 1.467 10 0 ADAERN CCOC(=O)C(CC)=C(C)N 39116054 343201524 /nfs/dbraw/zinc/20/15/24/343201524.db2.gz NYXCYAPPHIFZPQ-SREVYHEPSA-N 0 0 157.213 1.192 10 0 ADAERN CC[C@@]1(C)NC(=O)[C@H]2CCCN21 39115831 343201560 /nfs/dbraw/zinc/20/15/60/343201560.db2.gz UYAACKQSLQCTSM-APPZFPTMSA-N 0 0 168.240 1.547 10 0 ADAERN CC[C@]1(C)NC(=O)[C@@H]2CCCN21 39115833 343201590 /nfs/dbraw/zinc/20/15/90/343201590.db2.gz UYAACKQSLQCTSM-IONNQARKSA-N 0 0 168.240 1.547 10 0 ADAERN Cc1nc2cccc(CO)c2nc1C 39115300 343201600 /nfs/dbraw/zinc/20/16/00/343201600.db2.gz IOVLTBHDRNVDIF-UHFFFAOYSA-N 0 0 188.230 1.739 10 0 ADAERN Cc1ccc(CO)c(C)c1N 39118241 343201667 /nfs/dbraw/zinc/20/16/67/343201667.db2.gz YVCNCCWEYVQDAC-UHFFFAOYSA-N 0 0 151.209 1.378 10 0 ADAERN Cc1cc(F)c(C)cn1 39116653 343201669 /nfs/dbraw/zinc/20/16/69/343201669.db2.gz QGCXFQUIVDKGPU-UHFFFAOYSA-N 0 0 125.146 1.838 10 0 ADAERN COC(=O)c1cc(C)c(C)cc1O 39116825 343201686 /nfs/dbraw/zinc/20/16/86/343201686.db2.gz CWPOLMDFDRUVAS-UHFFFAOYSA-N 0 0 180.203 1.796 10 0 ADAERN CCOCc1ccccn1 39206207 343206062 /nfs/dbraw/zinc/20/60/62/343206062.db2.gz XPMYYZKNOYGNME-UHFFFAOYSA-N 0 0 137.182 1.618 10 0 ADAERN CCCCCCNC#N 39203408 343206063 /nfs/dbraw/zinc/20/60/63/343206063.db2.gz XSPWHWGZSFHIRQ-UHFFFAOYSA-N 0 0 126.203 1.637 10 0 ADAERN Cc1cncc(C)c1F 39116655 343201769 /nfs/dbraw/zinc/20/17/69/343201769.db2.gz IOADDBKYJGMVFR-UHFFFAOYSA-N 0 0 125.146 1.838 10 0 ADAERN COc1c(C=O)cc2c(c1C)OCO2 39117366 343201778 /nfs/dbraw/zinc/20/17/78/343201778.db2.gz QEJUJXZMXNCDME-UHFFFAOYSA-N 0 0 194.186 1.545 10 0 ADAERN OC/C=C\C[C@@H](O)c1ccccc1 39116742 343201789 /nfs/dbraw/zinc/20/17/89/343201789.db2.gz HWTBWVCFUXBXTB-DOGVGXBMSA-N 0 0 178.231 1.659 10 0 ADAERN Cc1cnc2cnccc2n1 39117967 343201866 /nfs/dbraw/zinc/20/18/66/343201866.db2.gz DJFZOUYWPTXXRP-UHFFFAOYSA-N 0 0 145.165 1.333 10 0 ADAERN OC/C=C\C[C@H](O)c1ccccc1 39116744 343201870 /nfs/dbraw/zinc/20/18/70/343201870.db2.gz HWTBWVCFUXBXTB-WYGGZMRJSA-N 0 0 178.231 1.659 10 0 ADAERN C[C@H]1CCCC[C@]12CNC(=O)C2 39116280 343201884 /nfs/dbraw/zinc/20/18/84/343201884.db2.gz HDZSOPSLVBZXFN-WPRPVWTQSA-N 0 0 167.252 1.703 10 0 ADAERN Cc1cc(C(C)C)c(N)nn1 39118227 343201981 /nfs/dbraw/zinc/20/19/81/343201981.db2.gz WOYZKVZZODHILN-UHFFFAOYSA-N 0 0 151.213 1.491 10 0 ADAERN CCc1ccnc(Br)n1 39121241 343202057 /nfs/dbraw/zinc/20/20/57/343202057.db2.gz COQIYFRDYZABHT-UHFFFAOYSA-N 0 0 187.040 1.802 10 0 ADAERN Cc1cn(C)c(=O)c2ccccc12 39121513 343202075 /nfs/dbraw/zinc/20/20/75/343202075.db2.gz QJXJBMFDTPYJQY-UHFFFAOYSA-N 0 0 173.215 1.847 10 0 ADAERN Cc1c(N)ccc(O)c1F 39118677 343202093 /nfs/dbraw/zinc/20/20/93/343202093.db2.gz FDQUEAPRNNBTRX-UHFFFAOYSA-N 0 0 141.145 1.422 10 0 ADAERN Cc1cc(=O)n(C=O)c2ccccc12 39121483 343202141 /nfs/dbraw/zinc/20/21/41/343202141.db2.gz NWDOMGVOIDOGOK-UHFFFAOYSA-N 0 0 187.198 1.348 10 0 ADAERN Cc1cc(=O)n(C)c2ccc(O)cc12 39121499 343202184 /nfs/dbraw/zinc/20/21/84/343202184.db2.gz TUSXLRWSPGPMHW-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN CC(C)[C@H](O)c1ccccc1CO 39120375 343202197 /nfs/dbraw/zinc/20/21/97/343202197.db2.gz FOSMCOZZFVEVEI-NSHDSACASA-N 0 0 180.247 1.868 10 0 ADAERN Cc1cc(=O)n(C)c2cc(N)ccc12 39121485 343202244 /nfs/dbraw/zinc/20/22/44/343202244.db2.gz OYMQZZRVTJPYGW-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN Cc1ccc2c(c1)C(=O)O[C@@H]2O 39120485 343202249 /nfs/dbraw/zinc/20/22/49/343202249.db2.gz MMBMVWIMZJFMIR-QMMMGPOBSA-N 0 0 164.160 1.156 10 0 ADAERN Cc1cc(=O)n(C)c2cc(O)ccc12 39121489 343202269 /nfs/dbraw/zinc/20/22/69/343202269.db2.gz ALFBCHRNOAVKOR-UHFFFAOYSA-N 0 0 189.214 1.553 10 0 ADAERN Cc1cccc2c1[C@@H](O)OC2=O 39120500 343202295 /nfs/dbraw/zinc/20/22/95/343202295.db2.gz VZQKIRKYBKMSAZ-VIFPVBQESA-N 0 0 164.160 1.156 10 0 ADAERN Cc1ccc2c(c1)C(=O)O[C@H]2O 39120487 343202300 /nfs/dbraw/zinc/20/23/00/343202300.db2.gz MMBMVWIMZJFMIR-MRVPVSSYSA-N 0 0 164.160 1.156 10 0 ADAERN Cc1cnc(C(F)(F)F)nc1 39121242 343202305 /nfs/dbraw/zinc/20/23/05/343202305.db2.gz ICIXWOILXWARKO-UHFFFAOYSA-N 0 0 162.114 1.804 10 0 ADAERN Cc1cc(CO)cc2nccnc12 39121577 343202376 /nfs/dbraw/zinc/20/23/76/343202376.db2.gz FMVPMNFOXQLQDI-UHFFFAOYSA-N 0 0 174.203 1.431 10 0 ADAERN CSCCC(=S)N(C)C 39124696 343202387 /nfs/dbraw/zinc/20/23/87/343202387.db2.gz YNJCJVYURZFFOH-UHFFFAOYSA-N 0 0 163.311 1.629 10 0 ADAERN CN1CC[C@H]1COc1cccnc1F 39122689 343202393 /nfs/dbraw/zinc/20/23/93/343202393.db2.gz YTWTVQHAWYQDBK-QMMMGPOBSA-N 0 0 196.225 1.304 10 0 ADAERN CN1c2ccccc2S[C@@H]1N 39122321 343202408 /nfs/dbraw/zinc/20/24/08/343202408.db2.gz XVPUUGMMFIGPMT-MRVPVSSYSA-N 0 0 166.249 1.471 10 0 ADAERN Cc1cnc2cc(N)ccc2n1 39121620 343202451 /nfs/dbraw/zinc/20/24/51/343202451.db2.gz YKFVEQQFGNMNCH-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN CCc1noc(NC=O)c1C 39123966 343202458 /nfs/dbraw/zinc/20/24/58/343202458.db2.gz SCFCESIZQLCRNZ-UHFFFAOYSA-N 0 0 154.169 1.114 10 0 ADAERN C[C@]1(Cl)SCCC1=O 39125417 343202467 /nfs/dbraw/zinc/20/24/67/343202467.db2.gz CWAKDEIGGKBWMC-YFKPBYRVSA-N 0 0 150.630 1.647 10 0 ADAERN Cc1cc2ccc(N)cc2n(C)c1=O 39121528 343202505 /nfs/dbraw/zinc/20/25/05/343202505.db2.gz IEKRBEZVWMNWAO-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN Cc1cc2c(N)cccc2n(C)c1=O 39121526 343202513 /nfs/dbraw/zinc/20/25/13/343202513.db2.gz CETZDRXQSQJJLR-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN CN1c2ccccc2S[C@H]1N 39122323 343202530 /nfs/dbraw/zinc/20/25/30/343202530.db2.gz XVPUUGMMFIGPMT-QMMMGPOBSA-N 0 0 166.249 1.471 10 0 ADAERN Cc1cnc2c(O)cccc2n1 39121591 343202543 /nfs/dbraw/zinc/20/25/43/343202543.db2.gz ISMGVCMJDUISJW-UHFFFAOYSA-N 0 0 160.176 1.644 10 0 ADAERN Cc1cc2c(s1)[C@@H](C(N)=O)CC2=O 39124145 343202549 /nfs/dbraw/zinc/20/25/49/343202549.db2.gz IOSHUYWLTYXANJ-LURJTMIESA-N 0 0 195.243 1.212 10 0 ADAERN Cc1ccnc(NC=O)c1C 39123522 343202616 /nfs/dbraw/zinc/20/26/16/343202616.db2.gz JXGBVPVUWNUKGJ-UHFFFAOYSA-N 0 0 150.181 1.267 10 0 ADAERN Cc1ccc2[nH]nc(Cl)c(=O)c2c1 39123930 343202624 /nfs/dbraw/zinc/20/26/24/343202624.db2.gz WJDBZSQSCQOVTP-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN CN(CC(C)(C)C)C(N)=S 39124518 343202650 /nfs/dbraw/zinc/20/26/50/343202650.db2.gz GEIDWIKQXFKUHZ-UHFFFAOYSA-N 0 0 160.286 1.208 10 0 ADAERN CN(C)C(=S)Cc1cccnc1 39124701 343202652 /nfs/dbraw/zinc/20/26/52/343202652.db2.gz HMEDPRHRGVQMGW-UHFFFAOYSA-N 0 0 180.276 1.513 10 0 ADAERN CC(C)Oc1ccc(N(O)C=N)cn1 39122102 343202662 /nfs/dbraw/zinc/20/26/62/343202662.db2.gz HTOUYMIIAIVWFK-UHFFFAOYSA-N 0 0 195.222 1.671 10 0 ADAERN Cc1cnc2ccncc2n1 39121626 343202666 /nfs/dbraw/zinc/20/26/66/343202666.db2.gz HJFAGCYGDRKURZ-UHFFFAOYSA-N 0 0 145.165 1.333 10 0 ADAERN Cc1cnc2ccc(N)cc2n1 39121618 343202669 /nfs/dbraw/zinc/20/26/69/343202669.db2.gz SQICFWDFYJDZFO-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN Cc1nc(N)c(-c2ncc[nH]2)nc1C 39122978 343202678 /nfs/dbraw/zinc/20/26/78/343202678.db2.gz JWDNTFZJZVIBAV-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN Cc1cnc(NC=O)c(C)c1 39123521 343202699 /nfs/dbraw/zinc/20/26/99/343202699.db2.gz AJTNXUUJCZSNCR-UHFFFAOYSA-N 0 0 150.181 1.267 10 0 ADAERN Cc1ccc(N(C)C(N)=S)cc1 39124614 343202726 /nfs/dbraw/zinc/20/27/26/343202726.db2.gz FFBDMFYUMUCCKJ-UHFFFAOYSA-N 0 0 180.276 1.675 10 0 ADAERN Cc1cc2c(s1)[C@H](C(N)=O)CC2=O 39124144 343202748 /nfs/dbraw/zinc/20/27/48/343202748.db2.gz IOSHUYWLTYXANJ-ZCFIWIBFSA-N 0 0 195.243 1.212 10 0 ADAERN Cc1c(N)ccc(Cl)c1O 39125691 343202852 /nfs/dbraw/zinc/20/28/52/343202852.db2.gz AXQBFCIPQJXBJR-UHFFFAOYSA-N 0 0 157.600 1.936 10 0 ADAERN O=c1ccccc(Cl)c1O 39125620 343202909 /nfs/dbraw/zinc/20/29/09/343202909.db2.gz MGIFHNUABWQJII-UHFFFAOYSA-N 0 0 156.568 1.406 10 0 ADAERN CCCN(C(C)=O)c1cnoc1C 39126153 343202940 /nfs/dbraw/zinc/20/29/40/343202940.db2.gz HUIOIMHEPWXDDZ-UHFFFAOYSA-N 0 0 182.223 1.746 10 0 ADAERN CCCCN(C(C)=O)C(=O)CCC 39128581 343202951 /nfs/dbraw/zinc/20/29/51/343202951.db2.gz DCAGEWNYUYOOHH-UHFFFAOYSA-N 0 0 185.267 1.962 10 0 ADAERN CCCC(=O)N[C@@H]1CCCCC1=O 39126158 343202968 /nfs/dbraw/zinc/20/29/68/343202968.db2.gz INWDWRVLQQIZGO-MRVPVSSYSA-N 0 0 183.251 1.414 10 0 ADAERN CCCCN(CCCCO)C(C)=O 39126410 343202983 /nfs/dbraw/zinc/20/29/83/343202983.db2.gz CNTGTTHYTDCDRJ-UHFFFAOYSA-N 0 0 187.283 1.408 10 0 ADAERN CCC(=O)C(F)(F)C(F)F 39125623 343202986 /nfs/dbraw/zinc/20/29/86/343202986.db2.gz GSJBJEHAZPULQT-UHFFFAOYSA-N 0 0 158.094 1.866 10 0 ADAERN CCCC(=O)Nc1n[nH]cc1CC 39126402 343203078 /nfs/dbraw/zinc/20/30/78/343203078.db2.gz GJWWJTZZBYBREC-UHFFFAOYSA-N 0 0 181.239 1.711 10 0 ADAERN CC(C)On1c(N)c(N)c2ccoc21 39126777 343203114 /nfs/dbraw/zinc/20/31/14/343203114.db2.gz WGOMYIYLIIHGDO-UHFFFAOYSA-N 0 0 195.222 1.236 10 0 ADAERN CN(C(=O)c1ccccc1)C(F)F 39125880 343203134 /nfs/dbraw/zinc/20/31/34/343203134.db2.gz KLBWQBNLTJLIAA-UHFFFAOYSA-N 0 0 185.173 1.981 10 0 ADAERN Cc1[nH]nc2c(=O)ccccc12 39134025 343203219 /nfs/dbraw/zinc/20/32/19/343203219.db2.gz NOWHOLAOUBLPEB-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN Cc1ccc(N(O)C=O)cc1C 39133631 343203259 /nfs/dbraw/zinc/20/32/59/343203259.db2.gz YPNIHQXKCNWAEO-UHFFFAOYSA-N 0 0 165.192 1.655 10 0 ADAERN Cc1cc(NC(C)(C)C)n[nH]1 39133921 343203271 /nfs/dbraw/zinc/20/32/71/343203271.db2.gz PRVUVAFPHHQFNP-UHFFFAOYSA-N 0 0 153.229 1.929 10 0 ADAERN Cc1[nH]cnc1-c1cccnc1 39132847 343203323 /nfs/dbraw/zinc/20/33/23/343203323.db2.gz MPXMIRLUYDXVTB-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN C[C@H]1C[C@H](c2ccco2)NN1 39134003 343203330 /nfs/dbraw/zinc/20/33/30/343203330.db2.gz MWVLKKPCFMKDPS-NKWVEPMBSA-N 0 0 152.197 1.207 10 0 ADAERN CC1=NN(C)C(=N)C1=C(C)C 39134046 343203346 /nfs/dbraw/zinc/20/33/46/343203346.db2.gz OCAFHXKZPSDANT-UHFFFAOYSA-N 0 0 151.213 1.621 10 0 ADAERN Cc1nn2ccsc2c1N 39133783 343203368 /nfs/dbraw/zinc/20/33/68/343203368.db2.gz YPBOBABUOKFUBX-UHFFFAOYSA-N 0 0 153.210 1.286 10 0 ADAERN C[C@H]1C[C@@H](c2ccco2)NN1 39134005 343203375 /nfs/dbraw/zinc/20/33/75/343203375.db2.gz MWVLKKPCFMKDPS-BQBZGAKWSA-N 0 0 152.197 1.207 10 0 ADAERN CCCCCc1cc(=O)[nH][nH]1 39134132 343203397 /nfs/dbraw/zinc/20/33/97/343203397.db2.gz NTYRFIMFFTYLPI-UHFFFAOYSA-N 0 0 154.213 1.848 10 0 ADAERN CC(C)c1[nH]nc(N)c1Cl 39133935 343203434 /nfs/dbraw/zinc/20/34/34/343203434.db2.gz SLPZTSHTSVHDAF-UHFFFAOYSA-N 0 0 159.620 1.769 10 0 ADAERN Cc1[nH]nc2c1[C@@H](O)CCC2 39133960 343203495 /nfs/dbraw/zinc/20/34/95/343203495.db2.gz YEWYCQJTJKGTEY-ZETCQYMHSA-N 0 0 152.197 1.088 10 0 ADAERN Cc1[nH]nc2c1[C@H](O)CCC2 39133961 343203505 /nfs/dbraw/zinc/20/35/05/343203505.db2.gz YEWYCQJTJKGTEY-SSDOTTSWSA-N 0 0 152.197 1.088 10 0 ADAERN CNC(=O)c1ccc(N=O)cc1 39133556 343203507 /nfs/dbraw/zinc/20/35/07/343203507.db2.gz WIKYJEJOMJQSFE-UHFFFAOYSA-N 0 0 164.164 1.444 10 0 ADAERN Cc1cccc2ncc(C)[n+]([O-])c12 39134380 343203696 /nfs/dbraw/zinc/20/36/96/343203696.db2.gz PRIWMFSDXIBTNB-UHFFFAOYSA-N 0 0 174.203 1.485 10 0 ADAERN Cc1ccc2c(ncc[n+]2[O-])c1C 39134287 343203723 /nfs/dbraw/zinc/20/37/23/343203723.db2.gz XENNOLPEVZKQMH-UHFFFAOYSA-N 0 0 174.203 1.485 10 0 ADAERN Cc1cc(=O)c2ncc[nH]c-2c1N 39134306 343203731 /nfs/dbraw/zinc/20/37/31/343203731.db2.gz YLDSUYZTFBDKMF-UHFFFAOYSA-N 0 0 175.191 1.226 10 0 ADAERN Cc1csc(C(C)C)[n+]1[O-] 39134523 343203750 /nfs/dbraw/zinc/20/37/50/343203750.db2.gz NCDCYOSYRHBSAN-UHFFFAOYSA-N 0 0 157.238 1.813 10 0 ADAERN Cc1cnc2c(N)c(N)ccc2n1 39134297 343203754 /nfs/dbraw/zinc/20/37/54/343203754.db2.gz DKWFSXZXEZZICZ-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN CCCc1nc(N)sc1C 39134789 343203756 /nfs/dbraw/zinc/20/37/56/343203756.db2.gz SZYDNYWSPDMHON-UHFFFAOYSA-N 0 0 156.254 1.986 10 0 ADAERN CCc1c[nH]c(=S)s1 39134667 343203758 /nfs/dbraw/zinc/20/37/58/343203758.db2.gz DVSVFZYHLJZODI-UHFFFAOYSA-N 0 0 145.252 1.994 10 0 ADAERN Cc1cnc2ccc(N)c(N)c2n1 39134285 343203760 /nfs/dbraw/zinc/20/37/60/343203760.db2.gz RKLRTHLWZGONKZ-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN Cc1nc2cccc(O)c2nc1C 39134331 343203770 /nfs/dbraw/zinc/20/37/70/343203770.db2.gz NHUNVOXWVPUSBS-UHFFFAOYSA-N 0 0 174.203 1.952 10 0 ADAERN CN(C)Cc1nccs1 39134442 343203781 /nfs/dbraw/zinc/20/37/81/343203781.db2.gz FGLIUIASFSKHPN-UHFFFAOYSA-N 0 0 142.227 1.205 10 0 ADAERN O=Cc1cnc2c(O)cccc2n1 39134263 343203788 /nfs/dbraw/zinc/20/37/88/343203788.db2.gz IFBZBGAPZLWTSE-UHFFFAOYSA-N 0 0 174.159 1.148 10 0 ADAERN CC1=NC(=O)CS1 39134767 343203876 /nfs/dbraw/zinc/20/38/76/343203876.db2.gz SCDXGNCKRFSGRM-UHFFFAOYSA-N 0 0 115.157 1.157 10 0 ADAERN Cc1cnc2cc(N)cc(N)c2n1 39134307 343203878 /nfs/dbraw/zinc/20/38/78/343203878.db2.gz FASMARQTEXAKBI-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN C[C@]1(O)C(=N)Nc2ccccc21 39136047 343203947 /nfs/dbraw/zinc/20/39/47/343203947.db2.gz QAEDJTUHVZEUFW-SECBINFHSA-N 0 0 162.192 1.297 10 0 ADAERN Cc1c(N)ccc2c1NCCC2 39136070 343203984 /nfs/dbraw/zinc/20/39/84/343203984.db2.gz REJWDNXUXZGIRR-UHFFFAOYSA-N 0 0 162.236 1.935 10 0 ADAERN CCc1cccc2c1C(=O)CO2 39136379 343203991 /nfs/dbraw/zinc/20/39/91/343203991.db2.gz DTNWPKGBTPWANV-UHFFFAOYSA-N 0 0 162.188 1.824 10 0 ADAERN Cc1cc(N)c(Cl)c(N)c1 39135245 343204006 /nfs/dbraw/zinc/20/40/06/343204006.db2.gz QANVSXSFEIMCHX-UHFFFAOYSA-N 0 0 156.616 1.813 10 0 ADAERN Cc1cc(C)c([C@@H](O)C(N)=O)c(C)c1 39134938 343204014 /nfs/dbraw/zinc/20/40/14/343204014.db2.gz LUVIBMIXBRRPTK-SNVBAGLBSA-N 0 0 193.246 1.131 10 0 ADAERN Cc1cc(C)c([C@H](O)C(N)=O)c(C)c1 39134937 343204034 /nfs/dbraw/zinc/20/40/34/343204034.db2.gz LUVIBMIXBRRPTK-JTQLQIEISA-N 0 0 193.246 1.131 10 0 ADAERN Cc1ncsc1CCF 39134875 343204072 /nfs/dbraw/zinc/20/40/72/343204072.db2.gz ZRWXVYNSPARWKQ-UHFFFAOYSA-N 0 0 145.202 1.964 10 0 ADAERN Cc1ccc2c(c1N)O[C@@H](C)C2 39136128 343204111 /nfs/dbraw/zinc/20/41/11/343204111.db2.gz FJTSFOXPCMGFID-ZETCQYMHSA-N 0 0 163.220 1.901 10 0 ADAERN Cc1c(N)ccc2c1C[C@H](C)O2 39136119 343204140 /nfs/dbraw/zinc/20/41/40/343204140.db2.gz JBGJYVWXPDNZJW-LURJTMIESA-N 0 0 163.220 1.901 10 0 ADAERN Cc1cc2c(c(C)c1N)CCO2 39135969 343204157 /nfs/dbraw/zinc/20/41/57/343204157.db2.gz RODJHXFDGRJCNO-UHFFFAOYSA-N 0 0 163.220 1.821 10 0 ADAERN Cc1ccc2c(c1N)O[C@H](C)C2 39136127 343204176 /nfs/dbraw/zinc/20/41/76/343204176.db2.gz FJTSFOXPCMGFID-SSDOTTSWSA-N 0 0 163.220 1.901 10 0 ADAERN CCc1cnc(OC)s1 39135015 343204193 /nfs/dbraw/zinc/20/41/93/343204193.db2.gz ZWPBRBFCZFWKNC-UHFFFAOYSA-N 0 0 143.211 1.714 10 0 ADAERN Cc1nc2c(cc1N)CCCC2 39136138 343204219 /nfs/dbraw/zinc/20/42/19/343204219.db2.gz GBFKXTGLOIVLPR-UHFFFAOYSA-N 0 0 162.236 1.851 10 0 ADAERN CC(C)[C@@H](O)c1nccs1 39134987 343204227 /nfs/dbraw/zinc/20/42/27/343204227.db2.gz RRWNEXWOJPWJAI-ZCFIWIBFSA-N 0 0 157.238 1.833 10 0 ADAERN Cc1nc(N(C)C)sc1C 39134998 343204242 /nfs/dbraw/zinc/20/42/42/343204242.db2.gz SCZMNJUYTYUOOV-UHFFFAOYSA-N 0 0 156.254 1.826 10 0 ADAERN CCC(=O)N(C)c1ccc(N)cn1 39139350 343204445 /nfs/dbraw/zinc/20/44/45/343204445.db2.gz WTCGPUUBXVJPTC-UHFFFAOYSA-N 0 0 179.223 1.037 10 0 ADAERN CC(C)[C@H](O)[C@H]1CCCC1=O 39268168 343209179 /nfs/dbraw/zinc/20/91/79/343209179.db2.gz GTYPOUODBBCXDG-CBAPKCEASA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@]1(O)C(=N)Nc2ccccc21 39136932 343204469 /nfs/dbraw/zinc/20/44/69/343204469.db2.gz QAEDJTUHVZEUFW-VIFPVBQESA-N 0 0 162.192 1.297 10 0 ADAERN Cc1nc(-c2ncc[nH]2)[nH]c1C 39136867 343204473 /nfs/dbraw/zinc/20/44/73/343204473.db2.gz FHCQHEKPGQIWHO-UHFFFAOYSA-N 0 0 162.196 1.417 10 0 ADAERN Cc1cc2c(N)cc(N)cc2o1 39136434 343204495 /nfs/dbraw/zinc/20/44/95/343204495.db2.gz VKZGHKJBJKROMG-UHFFFAOYSA-N 0 0 162.192 1.906 10 0 ADAERN C/C=C\CNC(=O)c1ccccc1 39139070 343204502 /nfs/dbraw/zinc/20/45/02/343204502.db2.gz DOYSDDRHZMOEMB-IHWYPQMZSA-N 0 0 175.231 1.993 10 0 ADAERN Cc1ccc(C)c2c1CC(=O)O2 39136417 343204510 /nfs/dbraw/zinc/20/45/10/343204510.db2.gz JVKJCFSMLUBGQT-UHFFFAOYSA-N 0 0 162.188 1.765 10 0 ADAERN CCCC(=O)N[C@H](CO)CCC 39139135 343204546 /nfs/dbraw/zinc/20/45/46/343204546.db2.gz NQGJMIHRQGPVPK-QMMMGPOBSA-N 0 0 173.256 1.064 10 0 ADAERN Cc1cc2cc(N)cc(N)c2o1 39136475 343204558 /nfs/dbraw/zinc/20/45/58/343204558.db2.gz ASZPHWHTLNZSOD-UHFFFAOYSA-N 0 0 162.192 1.906 10 0 ADAERN Cc1[nH]nc(-c2ccco2)c1N 39136937 343204563 /nfs/dbraw/zinc/20/45/63/343204563.db2.gz UGAHIYFQLRTMMW-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Cc1ccc2c(c1C)OC(=O)C2 39136450 343204578 /nfs/dbraw/zinc/20/45/78/343204578.db2.gz XRUBOOKWKBWWQX-UHFFFAOYSA-N 0 0 162.188 1.765 10 0 ADAERN CCCC(=O)N[C@@H](CO)CCC 39139137 343204585 /nfs/dbraw/zinc/20/45/85/343204585.db2.gz NQGJMIHRQGPVPK-MRVPVSSYSA-N 0 0 173.256 1.064 10 0 ADAERN O=C1CO[C@H](C2CCCCC2)C1 39147702 343204689 /nfs/dbraw/zinc/20/46/89/343204689.db2.gz KWKJNTUSCAOUBD-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CC1(c2nnc(N)s2)CC1 39140405 343204696 /nfs/dbraw/zinc/20/46/96/343204696.db2.gz YLCDVSLTWVMHOW-UHFFFAOYSA-N 0 0 155.226 1.172 10 0 ADAERN CC[C@@H]1C(=O)N(C)c2ncccc21 39147892 343204712 /nfs/dbraw/zinc/20/47/12/343204712.db2.gz HYUAEPOSOXHPKK-ZETCQYMHSA-N 0 0 176.219 1.552 10 0 ADAERN O=C1CO[C@@H](C2CCCCC2)C1 39147703 343204735 /nfs/dbraw/zinc/20/47/35/343204735.db2.gz KWKJNTUSCAOUBD-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1ccc([C@H](C)NO)o1 39147414 343204780 /nfs/dbraw/zinc/20/47/80/343204780.db2.gz OEUKYQKKBQMYLV-LURJTMIESA-N 0 0 141.170 1.628 10 0 ADAERN CC[C@H](C)Nc1nncs1 39140441 343204783 /nfs/dbraw/zinc/20/47/83/343204783.db2.gz OVSWMDSSXJQKAF-YFKPBYRVSA-N 0 0 157.242 1.749 10 0 ADAERN CCCCC1N=NC(=O)S1 39140539 343204963 /nfs/dbraw/zinc/20/49/63/343204963.db2.gz UOAFUOBLOCMBCJ-UHFFFAOYSA-N 0 0 158.226 1.586 10 0 ADAERN CCC(=O)N(C)[C@@H]1CCCCO1 39139441 343204972 /nfs/dbraw/zinc/20/49/72/343204972.db2.gz GNMQQMQWMJXBPK-VIFPVBQESA-N 0 0 171.240 1.381 10 0 ADAERN CCC(=O)c1cn(C)c(C)n1 39147492 343204978 /nfs/dbraw/zinc/20/49/78/343204978.db2.gz WACAKVNIPOQFJZ-UHFFFAOYSA-N 0 0 152.197 1.321 10 0 ADAERN OCc1cccc(-c2ccco2)n1 39184982 343205066 /nfs/dbraw/zinc/20/50/66/343205066.db2.gz GGFONAMAWBCVHS-UHFFFAOYSA-N 0 0 175.187 1.834 10 0 ADAERN CCC[C@]1(C)OC=N[C@H]1C(=O)OC 39185227 343205141 /nfs/dbraw/zinc/20/51/41/343205141.db2.gz ZODDQEJSAQTNKW-CBAPKCEASA-N 0 0 185.223 1.145 10 0 ADAERN C=CC(=C)OCC 39167953 343205161 /nfs/dbraw/zinc/20/51/61/343205161.db2.gz NKKSFXOEWMZVTO-UHFFFAOYSA-N 0 0 98.145 1.723 10 0 ADAERN C[C@@]12CCC(=O)C[C@H]1CCC2=O 39168287 343205176 /nfs/dbraw/zinc/20/51/76/343205176.db2.gz RMCJPUDBPFRSIF-GMSGAONNSA-N 0 0 166.220 1.725 10 0 ADAERN Nc1ccc(N2CCC2)c(F)c1 39168272 343205260 /nfs/dbraw/zinc/20/52/60/343205260.db2.gz GPVCPQYVOSMKAQ-UHFFFAOYSA-N 0 0 166.199 1.618 10 0 ADAERN CNC(=O)C(C)(C)C(C)(C)C 39190294 343205380 /nfs/dbraw/zinc/20/53/80/343205380.db2.gz AAHJMABTWAGPSG-UHFFFAOYSA-N 0 0 157.257 1.805 10 0 ADAERN Cc1cccc2[nH]c(=O)ccc12 39189169 343205434 /nfs/dbraw/zinc/20/54/34/343205434.db2.gz YPDAYWNKUYQDTJ-UHFFFAOYSA-N 0 0 159.188 1.837 10 0 ADAERN Cc1cnnn1Cc1ccccc1 39190287 343205468 /nfs/dbraw/zinc/20/54/68/343205468.db2.gz VKLFASBEVMNSQC-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN COc1ccc2c(c1Cl)OCC2=O 39185700 343205502 /nfs/dbraw/zinc/20/55/02/343205502.db2.gz YWGVFIZFFVGEBX-UHFFFAOYSA-N 0 0 198.605 1.924 10 0 ADAERN CCc1ncncc1C 39188962 343205518 /nfs/dbraw/zinc/20/55/18/343205518.db2.gz AFUNAWVZKQOGOO-UHFFFAOYSA-N 0 0 122.171 1.347 10 0 ADAERN CCC[C@H]1OC(C)(C)O[C@@H]1CO 39190007 343205520 /nfs/dbraw/zinc/20/55/20/343205520.db2.gz BIWWKAWWWUHFRE-HTQZYQBOSA-N 0 0 174.240 1.299 10 0 ADAERN Cc1cc2[nH]c(=O)oc(=O)c2cc1C 39185432 343205543 /nfs/dbraw/zinc/20/55/43/343205543.db2.gz DCHWHHMDRNGZBG-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN O=S1(=O)CCC[C@H]1c1ccccc1 39189484 343205556 /nfs/dbraw/zinc/20/55/56/343205556.db2.gz NDYAPPXHTKCHLG-JTQLQIEISA-N 0 0 196.271 1.936 10 0 ADAERN O=C1COc2cc3c(cc21)CCO3 39189094 343205587 /nfs/dbraw/zinc/20/55/87/343205587.db2.gz CCNOQNWIWPTNLX-UHFFFAOYSA-N 0 0 176.171 1.197 10 0 ADAERN Cc1c[nH]c(N)c1C(=O)OC(C)(C)C 39189866 343205657 /nfs/dbraw/zinc/20/56/57/343205657.db2.gz FWBPWFHQZAIVBA-UHFFFAOYSA-N 0 0 196.250 1.861 10 0 ADAERN O=c1nc2n(c3ccccc13)CCC2 39201013 343205742 /nfs/dbraw/zinc/20/57/42/343205742.db2.gz NUSJOHOXLJHJOM-UHFFFAOYSA-N 0 0 186.214 1.343 10 0 ADAERN Cc1nnc(-c2ccccc2F)nn1 39201681 343205794 /nfs/dbraw/zinc/20/57/94/343205794.db2.gz AIUZKUHPVPAYFQ-UHFFFAOYSA-N 0 0 190.181 1.381 10 0 ADAERN CCC(=O)[C@H](C)OC 39202342 343205848 /nfs/dbraw/zinc/20/58/48/343205848.db2.gz WLBNTABJGHRBQH-YFKPBYRVSA-N 0 0 116.160 1.000 10 0 ADAERN Cc1ccc(O)c(=O)cc1 39213481 343206356 /nfs/dbraw/zinc/20/63/56/343206356.db2.gz FQOCWKSOAXYSQY-UHFFFAOYSA-N 0 0 136.150 1.061 10 0 ADAERN CC[C@H](O)c1ccccc1N 39215793 343206364 /nfs/dbraw/zinc/20/63/64/343206364.db2.gz IFIDGPUHWCUADA-VIFPVBQESA-N 0 0 151.209 1.712 10 0 ADAERN Cc1ccc2c(c1)CC(=O)C2 39213755 343206373 /nfs/dbraw/zinc/20/63/73/343206373.db2.gz QLOAMIGYZXLFKF-UHFFFAOYSA-N 0 0 146.189 1.663 10 0 ADAERN CC(=O)N[C@H](c1ccccc1)[C@@H](C)O 39212919 343206399 /nfs/dbraw/zinc/20/63/99/343206399.db2.gz FUDNAMMJDQJOFM-KCJUWKMLSA-N 0 0 193.246 1.245 10 0 ADAERN Cc1cc2c([n+]([O-])c1)CCCC2 39213579 343206414 /nfs/dbraw/zinc/20/64/14/343206414.db2.gz OMTAZDWADKFLQU-UHFFFAOYSA-N 0 0 163.220 1.507 10 0 ADAERN CCc1c(C)nc(OC)nc1C 39216646 343206481 /nfs/dbraw/zinc/20/64/81/343206481.db2.gz WGCJMWRSSXMRDB-UHFFFAOYSA-N 0 0 166.224 1.664 10 0 ADAERN C[S@](=O)c1ccccc1C=O 39212349 343206483 /nfs/dbraw/zinc/20/64/83/343206483.db2.gz GKNAAYXCSYJWCK-LLVKDONJSA-N 0 0 168.217 1.237 10 0 ADAERN CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 39212920 343206488 /nfs/dbraw/zinc/20/64/88/343206488.db2.gz FUDNAMMJDQJOFM-GZMMTYOYSA-N 0 0 193.246 1.245 10 0 ADAERN CC(=O)N[C@@H](c1ccccc1)[C@@H](C)O 39212921 343206498 /nfs/dbraw/zinc/20/64/98/343206498.db2.gz FUDNAMMJDQJOFM-LDYMZIIASA-N 0 0 193.246 1.245 10 0 ADAERN CCc1cc(C)nc(C)n1 39220428 343206610 /nfs/dbraw/zinc/20/66/10/343206610.db2.gz XKXAPYUCUMLMRI-UHFFFAOYSA-N 0 0 136.198 1.656 10 0 ADAERN CC(C)(NC=O)c1ccccc1 39223953 343206638 /nfs/dbraw/zinc/20/66/38/343206638.db2.gz VBPPYMWKPBBJJU-UHFFFAOYSA-N 0 0 163.220 1.668 10 0 ADAERN CN1c2ccccc2CC[C@H]1CO 39224174 343206649 /nfs/dbraw/zinc/20/66/49/343206649.db2.gz RLRZFCLKFGBQJI-JTQLQIEISA-N 0 0 177.247 1.430 10 0 ADAERN Cc1cc(=S)n(C)[nH]1 39222389 343206654 /nfs/dbraw/zinc/20/66/54/343206654.db2.gz SUXBWJNWSGEVFD-UHFFFAOYSA-N 0 0 128.200 1.017 10 0 ADAERN CC[C@@H](O)c1ccoc1 39222973 343206683 /nfs/dbraw/zinc/20/66/83/343206683.db2.gz LREZIWUHSIQJSR-SSDOTTSWSA-N 0 0 126.155 1.723 10 0 ADAERN CCc1ccnc(C)n1 39220427 343206690 /nfs/dbraw/zinc/20/66/90/343206690.db2.gz FYXJYERDXXUGDP-UHFFFAOYSA-N 0 0 122.171 1.347 10 0 ADAERN Cc1c[nH]c(-c2ccncc2)n1 39221956 343206714 /nfs/dbraw/zinc/20/67/14/343206714.db2.gz CGTPFADHUXRAKD-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CC[C@H](O)c1ccoc1 39222971 343206746 /nfs/dbraw/zinc/20/67/46/343206746.db2.gz LREZIWUHSIQJSR-ZETCQYMHSA-N 0 0 126.155 1.723 10 0 ADAERN S=C1OCCS1 39223060 343206767 /nfs/dbraw/zinc/20/67/67/343206767.db2.gz HXOYEKUNPUDUPM-UHFFFAOYSA-N 0 0 120.198 1.035 10 0 ADAERN C=C/C=C/COC 39221904 343206775 /nfs/dbraw/zinc/20/67/75/343206775.db2.gz YFRMDUCSDQJTKP-SNAWJCMRSA-N 0 0 98.145 1.375 10 0 ADAERN Cc1ccc(NNC(N)=S)c(C)c1 39224867 343207046 /nfs/dbraw/zinc/20/70/46/343207046.db2.gz NJPANCIPRDFPEW-UHFFFAOYSA-N 0 0 195.291 1.464 10 0 ADAERN COCOc1ccccc1OCOC 39235414 343207061 /nfs/dbraw/zinc/20/70/61/343207061.db2.gz OOHFHWWIDAGLRC-UHFFFAOYSA-N 0 0 198.218 1.652 10 0 ADAERN CC(=O)CCC/C=C/CO 39233002 343207088 /nfs/dbraw/zinc/20/70/88/343207088.db2.gz ANKGQDQWYZFTDK-HWKANZROSA-N 0 0 142.198 1.294 10 0 ADAERN CCC(=O)[C@@H](C)CC(=O)OC 39233366 343207093 /nfs/dbraw/zinc/20/70/93/343207093.db2.gz GWNKIOSZEDSLJF-LURJTMIESA-N 0 0 158.197 1.165 10 0 ADAERN CCC(=O)[C@H](C)CC(=O)OC 39233367 343207135 /nfs/dbraw/zinc/20/71/35/343207135.db2.gz GWNKIOSZEDSLJF-ZCFIWIBFSA-N 0 0 158.197 1.165 10 0 ADAERN CNC(=O)c1cccnc1NC(C)C 39225858 343207174 /nfs/dbraw/zinc/20/71/74/343207174.db2.gz BNKOESDGDUWAAK-UHFFFAOYSA-N 0 0 193.250 1.262 10 0 ADAERN Cc1cc(C)c(CO)cn1 39225412 343207175 /nfs/dbraw/zinc/20/71/75/343207175.db2.gz XJOAHYSTSQWYQI-UHFFFAOYSA-N 0 0 137.182 1.191 10 0 ADAERN CC(C)C(=O)[C@@H](O)c1ccccc1 39238950 343207402 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39957271 343214545 /nfs/dbraw/zinc/21/45/45/343214545.db2.gz NHKKTDYVRHXSQB-SSDOTTSWSA-N 0 0 152.197 1.107 10 0 ADAERN Cc1nc(Cl)c2c(C)ncn2n1 39957319 343214553 /nfs/dbraw/zinc/21/45/53/343214553.db2.gz ZRSZVJNYXRMQOM-UHFFFAOYSA-N 0 0 182.614 1.395 10 0 ADAERN CC/C=C(/C)C(=O)N1CCO[C@@H](C)C1 40072661 343214776 /nfs/dbraw/zinc/21/47/76/343214776.db2.gz BIMNARPNRHOPHE-BSKOKIOFSA-N 0 0 197.278 1.590 10 0 ADAERN Cc1cc(=NN)[nH]c2c(F)cccc12 40175126 343215173 /nfs/dbraw/zinc/21/51/73/343215173.db2.gz IPCBZEUCWCJWLX-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN C[C@H](NC(N)=S)[C@H]1C[C@@H]2CC[C@H]1C2 40177201 343215629 /nfs/dbraw/zinc/21/56/29/343215629.db2.gz OSZQGNBFAXNHTO-UYXSQOIJSA-N 0 0 198.335 1.644 10 0 ADAERN C[C@H](NC(N)=S)[C@@H]1C[C@@H]2CC[C@H]1C2 40177199 343215718 /nfs/dbraw/zinc/21/57/18/343215718.db2.gz OSZQGNBFAXNHTO-KZVJFYERSA-N 0 0 198.335 1.644 10 0 ADAERN Cc1nn(C)c(OC(C)C)c1C=O 40177175 343215723 /nfs/dbraw/zinc/21/57/23/343215723.db2.gz LLQIRVMOPCTFNV-UHFFFAOYSA-N 0 0 182.223 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YXNPZILJGUEADR-UHFFFAOYSA-N 0 0 170.237 1.032 10 0 ADAERN CC[C@@H](C#N)NC(=O)[C@H](C)CC 40351389 343216712 /nfs/dbraw/zinc/21/67/12/343216712.db2.gz BTQSSWZLMHMKFH-SFYZADRCSA-N 0 0 168.240 1.451 10 0 ADAERN CC[C@@H](C#N)NC(=O)[C@@H](C)CC 40351391 343216719 /nfs/dbraw/zinc/21/67/19/343216719.db2.gz BTQSSWZLMHMKFH-YUMQZZPRSA-N 0 0 168.240 1.451 10 0 ADAERN CC[C@H](C#N)NC(=O)[C@H](C)CC 40351393 343216804 /nfs/dbraw/zinc/21/68/04/343216804.db2.gz BTQSSWZLMHMKFH-HTQZYQBOSA-N 0 0 168.240 1.451 10 0 ADAERN CC[C@H](C)C(=O)N[C@@H](C#N)CC 40351395 343216807 /nfs/dbraw/zinc/21/68/07/343216807.db2.gz BTQSSWZLMHMKFH-JGVFFNPUSA-N 0 0 168.240 1.451 10 0 ADAERN CCC[C@@H](C#N)NC(=O)C1CC1 40353072 343216848 /nfs/dbraw/zinc/21/68/48/343216848.db2.gz GEGJIQCVOWKPOA-QMMMGPOBSA-N 0 0 166.224 1.205 10 0 ADAERN CCC[C@H](C#N)NC(=O)C1CC1 40353074 343216934 /nfs/dbraw/zinc/21/69/34/343216934.db2.gz GEGJIQCVOWKPOA-MRVPVSSYSA-N 0 0 166.224 1.205 10 0 ADAERN Cc1csc(N2CCC[C@H](O)C2)n1 40431440 343217806 /nfs/dbraw/zinc/21/78/06/343217806.db2.gz WOIWOSMGTZKPDQ-QMMMGPOBSA-N 0 0 198.291 1.413 10 0 ADAERN c1noc(-c2ccc3c(c2)CCN3)n1 40454077 343218577 /nfs/dbraw/zinc/21/85/77/343218577.db2.gz BXGPHMPSCHOLON-UHFFFAOYSA-N 0 0 187.202 1.705 10 0 ADAERN Cc1cc(C)c(C(=O)CO)cc1C 40449626 343218586 /nfs/dbraw/zinc/21/85/86/343218586.db2.gz GQPGAZLRDOZMSF-UHFFFAOYSA-N 0 0 178.231 1.787 10 0 ADAERN Cc1cc(C)c(C(=O)CO)c(C)c1 40449622 343218590 /nfs/dbraw/zinc/21/85/90/343218590.db2.gz JRVHUVQJFRKKQZ-UHFFFAOYSA-N 0 0 178.231 1.787 10 0 ADAERN Nc1ccc(Cl)cc1-c1ncno1 40454012 343218599 /nfs/dbraw/zinc/21/85/99/343218599.db2.gz DHKXIGXCGKEYFI-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Cc1ccc(N)c(-c2ncno2)c1 40454010 343218611 /nfs/dbraw/zinc/21/86/11/343218611.db2.gz COZSKYACCTVUNG-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Nc1ccc(F)c(-c2ncno2)c1 40454122 343218637 /nfs/dbraw/zinc/21/86/37/343218637.db2.gz KSTQSOZAJROYDB-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Nc1ccc(F)cc1-c1ncno1 40454009 343218705 /nfs/dbraw/zinc/21/87/05/343218705.db2.gz ALDFLYHUZGSPMA-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN c1ccc2c(c1)C[C@H](c1ncno1)N2 40454003 343218732 /nfs/dbraw/zinc/21/87/32/343218732.db2.gz HICYRMILWYVVGZ-SECBINFHSA-N 0 0 187.202 1.779 10 0 ADAERN Nc1ccc(Cl)c(-c2ncno2)c1 40454131 343218756 /nfs/dbraw/zinc/21/87/56/343218756.db2.gz JDGJQWOSUGCDFV-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CCn1c(C)cc(C(=O)CO)c1C 40449569 343218777 /nfs/dbraw/zinc/21/87/77/343218777.db2.gz FNQNSSUZUMZUAT-UHFFFAOYSA-N 0 0 181.235 1.300 10 0 ADAERN c1ccc2c(c1)C[C@@H](c1ncno1)N2 40454004 343218779 /nfs/dbraw/zinc/21/87/79/343218779.db2.gz HICYRMILWYVVGZ-VIFPVBQESA-N 0 0 187.202 1.779 10 0 ADAERN C[C@H]1[NH2+]CCc2c(C(=O)[O-])cccc21 40448660 343218783 /nfs/dbraw/zinc/21/87/83/343218783.db2.gz QOVYTZJWLVMRLS-SSDOTTSWSA-N 0 0 191.230 1.592 10 0 ADAERN CC(C)[C@H](C)Nc1ncc(N)cn1 40455386 343218806 /nfs/dbraw/zinc/21/88/06/343218806.db2.gz GIMIHDJUJNTMDV-ZETCQYMHSA-N 0 0 180.255 1.515 10 0 ADAERN CC[C@H](C)[C@@H](N)c1ncno1 40454037 343218856 /nfs/dbraw/zinc/21/88/56/343218856.db2.gz BGWLJLNDWONGNX-NTSWFWBYSA-N 0 0 155.201 1.116 10 0 ADAERN CC[C@H](C)[C@H](N)c1ncno1 40454035 343218892 /nfs/dbraw/zinc/21/88/92/343218892.db2.gz BGWLJLNDWONGNX-WDSKDSINSA-N 0 0 155.201 1.116 10 0 ADAERN CCC(CC)Nc1ncc(N)cn1 40455233 343218904 /nfs/dbraw/zinc/21/89/04/343218904.db2.gz KTMDINWNCHTFLN-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN CCC(C)(C)Nc1ncc(N)cn1 40455397 343218910 /nfs/dbraw/zinc/21/89/10/343218910.db2.gz URXWCRRPCUSXKI-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN Cc1ccc(-c2ncno2)cc1N 40454068 343218928 /nfs/dbraw/zinc/21/89/28/343218928.db2.gz VMLQQKZXQJMXQG-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1cc(C(=O)CO)c(C)n1C(C)C 40449601 343218930 /nfs/dbraw/zinc/21/89/30/343218930.db2.gz HUOLXGABEOFEDR-UHFFFAOYSA-N 0 0 195.262 1.861 10 0 ADAERN CC(C)[C@H](C)N(C)c1ncc(N)cn1 40455742 343218992 /nfs/dbraw/zinc/21/89/92/343218992.db2.gz NELALPXCFSODPI-QMMMGPOBSA-N 0 0 194.282 1.540 10 0 ADAERN CC(C)[C@@H](C)N(C)c1ncc(N)cn1 40455741 343219050 /nfs/dbraw/zinc/21/90/50/343219050.db2.gz NELALPXCFSODPI-MRVPVSSYSA-N 0 0 194.282 1.540 10 0 ADAERN C[C@H](C1CC1)N(C)c1ncc(N)cn1 40455739 343219114 /nfs/dbraw/zinc/21/91/14/343219114.db2.gz QPCFVVLMYMPJTH-SSDOTTSWSA-N 0 0 192.266 1.294 10 0 ADAERN CC[C@H]1CCCN1c1ncc(N)cn1 40455871 343219159 /nfs/dbraw/zinc/21/91/59/343219159.db2.gz ZZPHCNBJOLSVCS-VIFPVBQESA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H](Nc1ncc(N)cn1)C1CC1 40455684 343219302 /nfs/dbraw/zinc/21/93/02/343219302.db2.gz OTCVXDKKXRGGBL-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN CC(C)(C)Sc1ncc(N)cn1 40456235 343219360 /nfs/dbraw/zinc/21/93/60/343219360.db2.gz LWVQPKUDAQUPAZ-UHFFFAOYSA-N 0 0 183.280 1.949 10 0 ADAERN OCc1cnn(C2CCCC2)c1 40538512 343219496 /nfs/dbraw/zinc/21/94/96/343219496.db2.gz PLFRWLXPHHFHAU-UHFFFAOYSA-N 0 0 166.224 1.491 10 0 ADAERN Cc1nc(=NN)c2c(C)csc2[nH]1 40538543 343219561 /nfs/dbraw/zinc/21/95/61/343219561.db2.gz YSZYRFYVTYUORE-UHFFFAOYSA-N 0 0 194.263 1.594 10 0 ADAERN Cc1nc(=NN)c2ccsc2[nH]1 40538548 343219676 /nfs/dbraw/zinc/21/96/76/343219676.db2.gz ILLBPDSEKKRBKI-UHFFFAOYSA-N 0 0 180.236 1.285 10 0 ADAERN CCCNc1ccc(CO)cn1 40538682 343219702 /nfs/dbraw/zinc/21/97/02/343219702.db2.gz WVNDKVUJYCXLFA-UHFFFAOYSA-N 0 0 166.224 1.396 10 0 ADAERN Cc1ccc(-n2cc(N)cn2)nc1 40516481 343219845 /nfs/dbraw/zinc/21/98/45/343219845.db2.gz JORFISLOZLCUGN-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1nc(N)c2c(C)csc2n1 40538542 343219866 /nfs/dbraw/zinc/21/98/66/343219866.db2.gz IXCGWMMDURTFNQ-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN Cc1nn(-c2nccs2)c(C)c1N 40516640 343219878 /nfs/dbraw/zinc/21/98/78/343219878.db2.gz AHOGSSZPIZDOAZ-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN CC(C)c1nncc(Cl)n1 40542714 343220263 /nfs/dbraw/zinc/22/02/63/343220263.db2.gz OOHWUTJTFYIZHP-UHFFFAOYSA-N 0 0 157.604 1.648 10 0 ADAERN CCOC(=O)N1[C@@H](C)COC[C@H]1C 40634819 343220454 /nfs/dbraw/zinc/22/04/54/343220454.db2.gz TYHUYYRXOJVDJF-OCAPTIKFSA-N 0 0 187.239 1.252 10 0 ADAERN CCC(=O)N1[C@@H](C)COC[C@H]1C 40634402 343220489 /nfs/dbraw/zinc/22/04/89/343220489.db2.gz IHSHFLSTGDWNCN-OCAPTIKFSA-N 0 0 171.240 1.032 10 0 ADAERN CCCCC(=O)N1[C@H](C)COC[C@H]1C 40634429 343220502 /nfs/dbraw/zinc/22/05/02/343220502.db2.gz FXMDSICGLKXQDE-NXEZZACHSA-N 0 0 199.294 1.812 10 0 ADAERN C[C@H]1COC[C@@H](C)N1C(=O)C1CC1 40634420 343220652 /nfs/dbraw/zinc/22/06/52/343220652.db2.gz NLXKFKZKZHJAGX-OCAPTIKFSA-N 0 0 183.251 1.032 10 0 ADAERN CCCC(=O)N1[C@@H](C)COC[C@H]1C 40634408 343220655 /nfs/dbraw/zinc/22/06/55/343220655.db2.gz IZFVERWELIHRBX-DTORHVGOSA-N 0 0 185.267 1.422 10 0 ADAERN CCCC(=O)N1[C@H](C)COC[C@H]1C 40634412 343220815 /nfs/dbraw/zinc/22/08/15/343220815.db2.gz IZFVERWELIHRBX-RKDXNWHRSA-N 0 0 185.267 1.422 10 0 ADAERN CCCCC(=O)N1[C@@H](C)COC[C@H]1C 40634426 343220819 /nfs/dbraw/zinc/22/08/19/343220819.db2.gz FXMDSICGLKXQDE-AOOOYVTPSA-N 0 0 199.294 1.812 10 0 ADAERN CCC(=O)N1[C@@H](C)COC[C@@H]1C 40634404 343220870 /nfs/dbraw/zinc/22/08/70/343220870.db2.gz IHSHFLSTGDWNCN-YUMQZZPRSA-N 0 0 171.240 1.032 10 0 ADAERN CCCC(=O)N1[C@@H](C)COC[C@@H]1C 40634410 343220872 /nfs/dbraw/zinc/22/08/72/343220872.db2.gz IZFVERWELIHRBX-IUCAKERBSA-N 0 0 185.267 1.422 10 0 ADAERN CN(c1cccc(F)n1)C1CC1 40712002 343220989 /nfs/dbraw/zinc/22/09/89/343220989.db2.gz QSADIAFVJXDLHG-UHFFFAOYSA-N 0 0 166.199 1.819 10 0 ADAERN COC(=O)Nc1ccc(CCO)cc1 40715608 343221085 /nfs/dbraw/zinc/22/10/85/343221085.db2.gz SRHAZBCNWLJATK-UHFFFAOYSA-N 0 0 195.218 1.400 10 0 ADAERN OCCSc1cccc(F)n1 40712455 343221199 /nfs/dbraw/zinc/22/11/99/343221199.db2.gz RSFSRIZNHHIUFV-UHFFFAOYSA-N 0 0 173.212 1.305 10 0 ADAERN Cc1csc(NC(C)(C)C(N)=O)n1 40675382 343221385 /nfs/dbraw/zinc/22/13/85/343221385.db2.gz LRCVRYTYTVONOA-UHFFFAOYSA-N 0 0 199.279 1.127 10 0 ADAERN C[C@H]1CC[N@@H+](C[C@@H](C)C(=O)[O-])C1 40718731 343221606 /nfs/dbraw/zinc/22/16/06/343221606.db2.gz WWADFMQUDKRNKW-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN Cc1nn(C)c(N2CC[C@H](C)C2)c1N 40717775 343221667 /nfs/dbraw/zinc/22/16/67/343221667.db2.gz MLHHNYZWYZRRGV-ZETCQYMHSA-N 0 0 194.282 1.157 10 0 ADAERN C[C@H]1CCN(c2n[nH]c(=S)n2C)C1 40724173 343221674 /nfs/dbraw/zinc/22/16/74/343221674.db2.gz JGMVGFWSFCJXSG-LURJTMIESA-N 0 0 198.295 1.324 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C)C1 40718635 343221759 /nfs/dbraw/zinc/22/17/59/343221759.db2.gz QKODGWHJBHEZPS-IUCAKERBSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H]1CCN(c2ccc(N)cn2)C1 40717810 343221803 /nfs/dbraw/zinc/22/18/03/343221803.db2.gz JJEJJLQOADDNBL-QMMMGPOBSA-N 0 0 177.251 1.510 10 0 ADAERN C[C@H]1CCN(c2ccc(N)nc2)C1 40717644 343221822 /nfs/dbraw/zinc/22/18/22/343221822.db2.gz OTTFCISJHHINCX-QMMMGPOBSA-N 0 0 177.251 1.510 10 0 ADAERN Cc1cc(NCc2cn[nH]c2)ncn1 40727322 343222277 /nfs/dbraw/zinc/22/22/77/343222277.db2.gz PBFZSFFDYGSRCM-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN CCc1c(C)nn(CC(C)=O)c1C 40733233 343222566 /nfs/dbraw/zinc/22/25/66/343222566.db2.gz XUIVPJVYCIHFBA-UHFFFAOYSA-N 0 0 180.251 1.651 10 0 ADAERN Cc1nn(CC(N)=S)c(C)c1C 40730195 343222661 /nfs/dbraw/zinc/22/26/61/343222661.db2.gz AXDNDRPGAPLLOQ-UHFFFAOYSA-N 0 0 183.280 1.094 10 0 ADAERN CCc1cc(=S)[nH]cn1 40764850 343222847 /nfs/dbraw/zinc/22/28/47/343222847.db2.gz MHXSKUDTNVAAMK-UHFFFAOYSA-N 0 0 140.211 1.702 10 0 ADAERN CCn1nc(C)cc1C(=O)NC(C)C 40770543 343222998 /nfs/dbraw/zinc/22/29/98/343222998.db2.gz RSSOOWJEGMFDPI-UHFFFAOYSA-N 0 0 195.266 1.350 10 0 ADAERN CC[C@H](C)Nc1ccncn1 40862881 343223673 /nfs/dbraw/zinc/22/36/73/343223673.db2.gz IIQVINFRZIRFJL-ZETCQYMHSA-N 0 0 151.213 1.687 10 0 ADAERN Cc1cnn(-c2cc(CO)ccn2)c1 40879723 343223680 /nfs/dbraw/zinc/22/36/80/343223680.db2.gz IYGBTPTUYIDHIM-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN Cc1nccn1-c1cc(CO)ccn1 40879617 343223702 /nfs/dbraw/zinc/22/37/02/343223702.db2.gz VNSPIXYYBZJOHX-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CCN(C)c1cc(CO)ccn1 40877160 343223713 /nfs/dbraw/zinc/22/37/13/343223713.db2.gz FROUXFNEVLVBQI-UHFFFAOYSA-N 0 0 166.224 1.030 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1C(=O)C(C)(C)[NH3+] 40920303 343224065 /nfs/dbraw/zinc/22/40/65/343224065.db2.gz OKINPUIAEKSRTA-DTORHVGOSA-N 0 0 198.310 1.513 10 0 ADAERN C[C@H]1CCC[C@H](C)N1C(=O)C(C)(C)[NH3+] 40920306 343224141 /nfs/dbraw/zinc/22/41/41/343224141.db2.gz OKINPUIAEKSRTA-IUCAKERBSA-N 0 0 198.310 1.513 10 0 ADAERN C[C@H](NC(=O)C(C)(C)[NH3+])c1ccco1 40920731 343224197 /nfs/dbraw/zinc/22/41/97/343224197.db2.gz MDKDQMOEJUMNNQ-ZETCQYMHSA-N 0 0 196.250 1.194 10 0 ADAERN CC(C)c1noc(C(C)(C)N)n1 40911382 343224407 /nfs/dbraw/zinc/22/44/07/343224407.db2.gz GWGVMAWTDACDAV-UHFFFAOYSA-N 0 0 169.228 1.387 10 0 ADAERN C[C@H](c1cccc(N)c1)n1cncn1 40908281 343224415 /nfs/dbraw/zinc/22/44/15/343224415.db2.gz DILSLJVHNUJKJQ-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN C[C@H]1C[C@H](OC(=O)CN)CC(C)(C)C1 40951414 343224481 /nfs/dbraw/zinc/22/44/81/343224481.db2.gz JXBXGICZFFKOLK-IUCAKERBSA-N 0 0 199.294 1.703 10 0 ADAERN Cc1c(N)c(=O)n(C2CCCC2)n1C 40927904 343224570 /nfs/dbraw/zinc/22/45/70/343224570.db2.gz JYNVCWSUSHUWQU-UHFFFAOYSA-N 0 0 195.266 1.193 10 0 ADAERN C[C@H](C1CC1)n1nc(N)cc1N 40932292 343224580 /nfs/dbraw/zinc/22/45/80/343224580.db2.gz AXEOBNBAZHTPOY-RXMQYKEDSA-N 0 0 166.228 1.019 10 0 ADAERN CC[C@H](C)n1c(=O)c(N)c(C)n1C 40931431 343224605 /nfs/dbraw/zinc/22/46/05/343224605.db2.gz OTZVNSSBLWUVFU-LURJTMIESA-N 0 0 183.255 1.048 10 0 ADAERN C[C@H]1CCC[C@H](OC(=O)CN)C1 40953429 343224716 /nfs/dbraw/zinc/22/47/16/343224716.db2.gz FDJCKCYLKANHQD-YUMQZZPRSA-N 0 0 171.240 1.067 10 0 ADAERN Cc1c(N)c(=O)n([C@H](C)C2CC2)n1C 40932218 343224773 /nfs/dbraw/zinc/22/47/73/343224773.db2.gz MTZNOTUNYIQGFP-ZCFIWIBFSA-N 0 0 195.266 1.048 10 0 ADAERN CCn1c(C)c(N)c(=O)n1C(C)(C)C 40933157 343224777 /nfs/dbraw/zinc/22/47/77/343224777.db2.gz SWBNTQFRDVCDGP-UHFFFAOYSA-N 0 0 197.282 1.315 10 0 ADAERN C[C@H]1C[C@@H](OC(=O)CN)CC(C)(C)C1 40951420 343224781 /nfs/dbraw/zinc/22/47/81/343224781.db2.gz JXBXGICZFFKOLK-DTWKUNHWSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@H]1CCC[C@@H](OC(=O)CN)C1 40953433 343224795 /nfs/dbraw/zinc/22/47/95/343224795.db2.gz FDJCKCYLKANHQD-JGVFFNPUSA-N 0 0 171.240 1.067 10 0 ADAERN CC[C@@H](C)n1nc(N)cc1N 40931562 343224848 /nfs/dbraw/zinc/22/48/48/343224848.db2.gz SENALHZHBCWLBU-RXMQYKEDSA-N 0 0 154.217 1.019 10 0 ADAERN CC[C@H](C)n1nc(N)cc1N 40931564 343224858 /nfs/dbraw/zinc/22/48/58/343224858.db2.gz SENALHZHBCWLBU-YFKPBYRVSA-N 0 0 154.217 1.019 10 0 ADAERN Nc1n[nH]c2ccc(-c3cc[nH]n3)cc12 40935360 343224865 /nfs/dbraw/zinc/22/48/65/343224865.db2.gz IGZUVSXJCYZCJZ-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN Cc1nn([C@H](C)C2CC2)cc1C=O 40932042 343224885 /nfs/dbraw/zinc/22/48/85/343224885.db2.gz MUXBUXKZYCHDSJ-MRVPVSSYSA-N 0 0 178.235 1.975 10 0 ADAERN Cc1ccc2cccc(C(N)=O)c2n1 40934498 343224895 /nfs/dbraw/zinc/22/48/95/343224895.db2.gz FKDAECIKJPVBCN-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 in-vivo ADAERN Cc1csc(NCc2cc[nH]n2)n1 41016069 343225121 /nfs/dbraw/zinc/22/51/21/343225121.db2.gz NBVFRTGUNUAFON-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CC(C)[S@](=O)Cc1cccc(N)c1 40971691 343225250 /nfs/dbraw/zinc/22/52/50/343225250.db2.gz GFDFRVZSLQYXLO-ZDUSSCGKSA-N 0 0 197.303 1.926 10 0 ADAERN CC[S@](=O)Cc1ccccc1N 40965733 343225276 /nfs/dbraw/zinc/22/52/76/343225276.db2.gz FPJQZEVBYGGVAY-GFCCVEGCSA-N 0 0 183.276 1.537 10 0 ADAERN CC[S@@](=O)Cc1ccccc1N 40965730 343225283 /nfs/dbraw/zinc/22/52/83/343225283.db2.gz FPJQZEVBYGGVAY-LBPRGKRZSA-N 0 0 183.276 1.537 10 0 ADAERN N#CCc1ncc(C=O)s1 40996404 343225285 /nfs/dbraw/zinc/22/52/85/343225285.db2.gz BMFIRIYCXBHXGV-UHFFFAOYSA-N 0 0 152.178 1.022 10 0 ADAERN Cc1cc(NC(=O)C2CC2)ncc1N 41040696 343225652 /nfs/dbraw/zinc/22/56/52/343225652.db2.gz ALDOTIRKFYLLRI-UHFFFAOYSA-N 0 0 191.234 1.321 10 0 ADAERN CN(C(=O)C1CC1)c1cccc(N)c1 41021883 343225701 /nfs/dbraw/zinc/22/57/01/343225701.db2.gz ZDLKATLLQOOTIT-UHFFFAOYSA-N 0 0 190.246 1.642 10 0 ADAERN CN(CC(F)F)c1cccc(N)c1 41022742 343225732 /nfs/dbraw/zinc/22/57/32/343225732.db2.gz RYNCXGAYPHBXQM-UHFFFAOYSA-N 0 0 186.205 1.970 10 0 ADAERN Cc1ccc(N)cc1-c1nnco1 41032562 343225759 /nfs/dbraw/zinc/22/57/59/343225759.db2.gz XGBFBQTYJUZMOF-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN C[C@H]1CCN(c2ncccc2N)C1 41043377 343225963 /nfs/dbraw/zinc/22/59/63/343225963.db2.gz XTORGWSJTHZUQW-QMMMGPOBSA-N 0 0 177.251 1.510 10 0 ADAERN Cc1nc(S[C@H]2CCC[C@H]2O)n[nH]1 41042202 343226127 /nfs/dbraw/zinc/22/61/27/343226127.db2.gz ILQQPOONBBQPKY-RQJHMYQMSA-N 0 0 199.279 1.119 10 0 ADAERN Cc1nc(S[C@H]2CCC[C@@H]2O)n[nH]1 41042200 343226213 /nfs/dbraw/zinc/22/62/13/343226213.db2.gz ILQQPOONBBQPKY-BQBZGAKWSA-N 0 0 199.279 1.119 10 0 ADAERN CC[C@H](C)n1c(=O)c(N)c(C)n1CC 41043687 343226344 /nfs/dbraw/zinc/22/63/44/343226344.db2.gz LFOQMMQSFHDBMM-ZETCQYMHSA-N 0 0 197.282 1.531 10 0 ADAERN Cc1nc(S[C@@H]2CCC[C@H]2O)n[nH]1 41042201 343226351 /nfs/dbraw/zinc/22/63/51/343226351.db2.gz ILQQPOONBBQPKY-RNFRBKRXSA-N 0 0 199.279 1.119 10 0 ADAERN Cc1nc(S[C@@H]2CCC[C@@H]2O)n[nH]1 41042199 343226430 /nfs/dbraw/zinc/22/64/30/343226430.db2.gz ILQQPOONBBQPKY-NKWVEPMBSA-N 0 0 199.279 1.119 10 0 ADAERN CCn1ccnc1[C@H](N)c1ccoc1 41048466 343226975 /nfs/dbraw/zinc/22/69/75/343226975.db2.gz ZKIRGGGFKZKCEV-SECBINFHSA-N 0 0 191.234 1.544 10 0 ADAERN CN(C)Cc1ncc(C=O)s1 41046542 343226980 /nfs/dbraw/zinc/22/69/80/343226980.db2.gz XJYVEAMQKWSLOW-UHFFFAOYSA-N 0 0 170.237 1.017 10 0 ADAERN Cc1ccc([C@H](N)c2nccn2C)o1 41048292 343226982 /nfs/dbraw/zinc/22/69/82/343226982.db2.gz YFSCPPUNQIMUTH-VIFPVBQESA-N 0 0 191.234 1.370 10 0 ADAERN Cc1ccoc1[C@H](O)c1nccn1C 41048320 343227054 /nfs/dbraw/zinc/22/70/54/343227054.db2.gz ZTSOUOQKHVMQJW-QMMMGPOBSA-N 0 0 192.218 1.403 10 0 ADAERN Cc1cccc(-c2cnnc(N)n2)c1 41046973 343227125 /nfs/dbraw/zinc/22/71/25/343227125.db2.gz FEYPGLXFZLPRMX-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCn1ccnc1C(=O)c1ccco1 41048405 343227163 /nfs/dbraw/zinc/22/71/63/343227163.db2.gz HDUBYTNPKCJGCP-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN Cc1ccoc1[C@@H](O)c1nccn1C 41048321 343227223 /nfs/dbraw/zinc/22/72/23/343227223.db2.gz ZTSOUOQKHVMQJW-MRVPVSSYSA-N 0 0 192.218 1.403 10 0 ADAERN Cc1ccc([C@@H](N)c2nccn2C)o1 41048293 343227226 /nfs/dbraw/zinc/22/72/26/343227226.db2.gz YFSCPPUNQIMUTH-SECBINFHSA-N 0 0 191.234 1.370 10 0 ADAERN CCn1ccnc1[C@@H](O)c1ccoc1 41048527 343227247 /nfs/dbraw/zinc/22/72/47/343227247.db2.gz XNTLEGDJAAGZCN-VIFPVBQESA-N 0 0 192.218 1.578 10 0 ADAERN CCn1ccnc1[C@@H](N)c1ccoc1 41048467 343227276 /nfs/dbraw/zinc/22/72/76/343227276.db2.gz ZKIRGGGFKZKCEV-VIFPVBQESA-N 0 0 191.234 1.544 10 0 ADAERN Cc1ccoc1[C@@H](N)c1nccn1C 41048281 343227280 /nfs/dbraw/zinc/22/72/80/343227280.db2.gz RHVJYBKYUPNURV-MRVPVSSYSA-N 0 0 191.234 1.370 10 0 ADAERN Cc1ccoc1[C@H](N)c1nccn1C 41048280 343227284 /nfs/dbraw/zinc/22/72/84/343227284.db2.gz RHVJYBKYUPNURV-QMMMGPOBSA-N 0 0 191.234 1.370 10 0 ADAERN Cc1cc(CNCC(F)(F)F)on1 41050756 343227479 /nfs/dbraw/zinc/22/74/79/343227479.db2.gz PWQQOJDKDLNHLA-UHFFFAOYSA-N 0 0 194.156 1.635 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[NH+](C)C 41050423 343227679 /nfs/dbraw/zinc/22/76/79/343227679.db2.gz OQJJVXKMPUJFJK-NKWVEPMBSA-N 0 0 159.229 1.047 10 0 ADAERN COC(=O)[C@H](NCC1CC1)C(C)(C)C 41051875 343227985 /nfs/dbraw/zinc/22/79/85/343227985.db2.gz VYIPZZGEWKIGFR-VIFPVBQESA-N 0 0 199.294 1.574 10 0 ADAERN Cc1cnn(CC(C)(C)C)c1N 41051491 343228055 /nfs/dbraw/zinc/22/80/55/343228055.db2.gz GKWOPEDLYXEMTK-UHFFFAOYSA-N 0 0 167.256 1.820 10 0 ADAERN CCN[C@@H](C(=O)OC)C(C)(C)C 41051790 343228117 /nfs/dbraw/zinc/22/81/17/343228117.db2.gz SJSFGIBSPNBSTM-ZETCQYMHSA-N 0 0 173.256 1.184 10 0 ADAERN CC(C)Cc1nc(C2CC2)n[nH]1 41057761 343229017 /nfs/dbraw/zinc/22/90/17/343229017.db2.gz OCUXEYDULSLUGD-UHFFFAOYSA-N 0 0 165.240 1.881 10 0 ADAERN CC(C)c1nnc([C@@H]2CCOC2)[nH]1 41057121 343229038 /nfs/dbraw/zinc/22/90/38/343229038.db2.gz MTNZVJGRWNUFNS-SSDOTTSWSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc(C2CC2)[nH]1 41057682 343229070 /nfs/dbraw/zinc/22/90/70/343229070.db2.gz BNORNEZIXUICDN-FSPLSTOPSA-N 0 0 163.224 1.806 10 0 ADAERN CC(C)c1n[nH]c(C2CC2)n1 41057265 343229126 /nfs/dbraw/zinc/22/91/26/343229126.db2.gz INPCCVZWQIQDJF-UHFFFAOYSA-N 0 0 151.213 1.806 10 0 ADAERN CC(C)c1nnc([C@H]2CCCO2)[nH]1 41057251 343229178 /nfs/dbraw/zinc/22/91/78/343229178.db2.gz YUOZAYGODNQXQP-SSDOTTSWSA-N 0 0 181.239 1.780 10 0 ADAERN CC(C)c1nnc([C@H]2CCOC2)[nH]1 41057123 343229253 /nfs/dbraw/zinc/22/92/53/343229253.db2.gz MTNZVJGRWNUFNS-ZETCQYMHSA-N 0 0 181.239 1.432 10 0 ADAERN CC(C)c1nnc([C@@H]2CCCO2)[nH]1 41057249 343229322 /nfs/dbraw/zinc/22/93/22/343229322.db2.gz YUOZAYGODNQXQP-ZETCQYMHSA-N 0 0 181.239 1.780 10 0 ADAERN C[C@H]1C[C@H]1c1nnc(C2CC2)[nH]1 41057686 343229447 /nfs/dbraw/zinc/22/94/47/343229447.db2.gz BNORNEZIXUICDN-CAHLUQPWSA-N 0 0 163.224 1.806 10 0 ADAERN Cc1nnc(N)nc1-c1cccs1 41062139 343229989 /nfs/dbraw/zinc/22/99/89/343229989.db2.gz PZHVKLLILZRJIT-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCc1ccc([C@@H](C)NN)s1 41062428 343229997 /nfs/dbraw/zinc/22/99/97/343229997.db2.gz CMTVRBVJICTXTA-ZCFIWIBFSA-N 0 0 170.281 1.835 10 0 ADAERN Cc1nc(S[C@@H]2CCCC2=O)n[nH]1 41062618 343230143 /nfs/dbraw/zinc/23/01/43/343230143.db2.gz QTBCSBNUWUNOCF-SSDOTTSWSA-N 0 0 197.263 1.327 10 0 ADAERN Cc1nc(S[C@H]2CCCC2=O)n[nH]1 41062619 343230238 /nfs/dbraw/zinc/23/02/38/343230238.db2.gz QTBCSBNUWUNOCF-ZETCQYMHSA-N 0 0 197.263 1.327 10 0 ADAERN Cc1cc(N)sc1-c1nc(N)n[nH]1 41118750 343230414 /nfs/dbraw/zinc/23/04/14/343230414.db2.gz PPSKTGDTIMQCBZ-UHFFFAOYSA-N 0 0 195.251 1.006 10 0 ADAERN CCCc1nc(CC)n[nH]1 41067339 343230506 /nfs/dbraw/zinc/23/05/06/343230506.db2.gz KCCZHWRDLZGABQ-UHFFFAOYSA-N 0 0 139.202 1.320 10 0 ADAERN CN(N)c1cccc(Cl)c1 41167329 343230532 /nfs/dbraw/zinc/23/05/32/343230532.db2.gz RZEDEAUECMJEBX-UHFFFAOYSA-N 0 0 156.616 1.650 10 0 ADAERN CN(N)c1cccc(F)c1 41166911 343230555 /nfs/dbraw/zinc/23/05/55/343230555.db2.gz DEKRSNWWBCCEJL-UHFFFAOYSA-N 0 0 140.161 1.136 10 0 ADAERN CCc1nc([C@H](N)C(C)(C)C)no1 41121471 343230584 /nfs/dbraw/zinc/23/05/84/343230584.db2.gz RPIUPDAQVKAIBO-ZETCQYMHSA-N 0 0 183.255 1.678 10 0 ADAERN Cc1c[nH]c(-c2ccco2)n1 41167076 343230664 /nfs/dbraw/zinc/23/06/64/343230664.db2.gz HSTJUBSCKVWPIR-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN CCc1nc([C@@H](N)C(C)(C)C)no1 41121474 343230673 /nfs/dbraw/zinc/23/06/73/343230673.db2.gz RPIUPDAQVKAIBO-SSDOTTSWSA-N 0 0 183.255 1.678 10 0 ADAERN CCc1nc(C(C)C)n[nH]1 41067341 343230697 /nfs/dbraw/zinc/23/06/97/343230697.db2.gz ZZALEJZHUBCQDC-UHFFFAOYSA-N 0 0 139.202 1.491 10 0 ADAERN Cc1ccc(Cl)cc1N(C)N 41168390 343230931 /nfs/dbraw/zinc/23/09/31/343230931.db2.gz PKZMEXJSCNGVIQ-UHFFFAOYSA-N 0 0 170.643 1.958 10 0 ADAERN CC(C)Nc1ncccc1CO 41168069 343231057 /nfs/dbraw/zinc/23/10/57/343231057.db2.gz XYBQLNGDTNOIPG-UHFFFAOYSA-N 0 0 166.224 1.394 10 0 ADAERN Cc1cccc([C@@H]2CNC(=O)O2)c1 41199734 343231369 /nfs/dbraw/zinc/23/13/69/343231369.db2.gz LMHZGACSBRCTMO-VIFPVBQESA-N 0 0 177.203 1.776 10 0 ADAERN Cc1cccc([C@H]2CNC(=O)O2)c1 41199737 343231538 /nfs/dbraw/zinc/23/15/38/343231538.db2.gz LMHZGACSBRCTMO-SECBINFHSA-N 0 0 177.203 1.776 10 0 ADAERN Cc1ccccc1-c1noc(N)n1 41199041 343231565 /nfs/dbraw/zinc/23/15/65/343231565.db2.gz XMQSNHIODWHMRN-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1ccccc1[C@H]1CNC(=O)O1 41199731 343231574 /nfs/dbraw/zinc/23/15/74/343231574.db2.gz MSIRYXHMZMSXEX-SECBINFHSA-N 0 0 177.203 1.776 10 0 ADAERN C[C@H](CC(N)=O)c1ccccc1F 41201563 343231762 /nfs/dbraw/zinc/23/17/62/343231762.db2.gz CZQZSTAODYUPID-SSDOTTSWSA-N 0 0 181.210 1.805 10 0 ADAERN C[C@H](CC(N)=O)c1ccc(F)cc1 41201551 343231834 /nfs/dbraw/zinc/23/18/34/343231834.db2.gz HJCNJFKANUPALG-SSDOTTSWSA-N 0 0 181.210 1.805 10 0 ADAERN CN1C[C@@H](c2cccs2)OC1=O 41202350 343231869 /nfs/dbraw/zinc/23/18/69/343231869.db2.gz ZXFWWKGYSNYETD-LURJTMIESA-N 0 0 183.232 1.871 10 0 ADAERN C[C@H](CO)Oc1ccc(F)c(F)c1 41204069 343231884 /nfs/dbraw/zinc/23/18/84/343231884.db2.gz RPLFHYWSKUWTGW-ZCFIWIBFSA-N 0 0 188.173 1.724 10 0 ADAERN CN1C[C@H](c2cccs2)OC1=O 41202347 343231929 /nfs/dbraw/zinc/23/19/29/343231929.db2.gz ZXFWWKGYSNYETD-ZCFIWIBFSA-N 0 0 183.232 1.871 10 0 ADAERN CNC(=O)C[C@H]1CCc2ccccc21 41204713 343232094 /nfs/dbraw/zinc/23/20/94/343232094.db2.gz BKSDJJWWPCGSGA-SNVBAGLBSA-N 0 0 189.258 1.853 10 0 ADAERN Cc1cccc(C)c1NCCC(N)=O 41205975 343232261 /nfs/dbraw/zinc/23/22/61/343232261.db2.gz UUAHEWIDJXRYFN-UHFFFAOYSA-N 0 0 192.262 1.591 10 0 ADAERN CCc1ccc(-c2noc(N)n2)cc1 41204446 343232340 /nfs/dbraw/zinc/23/23/40/343232340.db2.gz MZWJXWGEQILZPK-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CNC(=O)C[C@@H]1CCc2ccccc21 41204711 343232354 /nfs/dbraw/zinc/23/23/54/343232354.db2.gz BKSDJJWWPCGSGA-JTQLQIEISA-N 0 0 189.258 1.853 10 0 ADAERN C[C@H](Oc1ccc(F)cc1)C(N)=S 41209843 343232453 /nfs/dbraw/zinc/23/24/53/343232453.db2.gz JYCXCJKIAXOGPQ-LURJTMIESA-N 0 0 199.250 1.879 10 0 ADAERN CSCCNC(=O)CC(C)C 41302352 343232568 /nfs/dbraw/zinc/23/25/68/343232568.db2.gz AEWBECRBOFGCSW-UHFFFAOYSA-N 0 0 175.297 1.512 10 0 ADAERN CCCCC(=O)NCCSC 41302356 343232644 /nfs/dbraw/zinc/23/26/44/343232644.db2.gz AROKNDNDHJLYAB-UHFFFAOYSA-N 0 0 175.297 1.656 10 0 ADAERN Cc1cc(C(=O)CN(C)C)ccc1F 41206962 343232660 /nfs/dbraw/zinc/23/26/60/343232660.db2.gz GLOGPTZNEYGYHQ-UHFFFAOYSA-N 0 0 195.237 1.878 10 0 ADAERN CSc1nnc(C2CCC2)n1C 41359989 343233281 /nfs/dbraw/zinc/23/32/81/343233281.db2.gz FRUBLHDETRJDRZ-UHFFFAOYSA-N 0 0 183.280 1.805 10 0 ADAERN CNC(=O)[C@@H](C)SC(C)C 41364078 343234098 /nfs/dbraw/zinc/23/40/98/343234098.db2.gz DWIUZITWEBIXNW-ZCFIWIBFSA-N 0 0 161.270 1.263 10 0 ADAERN CNC(=O)[C@H](C)SC(C)C 41364076 343234085 /nfs/dbraw/zinc/23/40/85/343234085.db2.gz DWIUZITWEBIXNW-LURJTMIESA-N 0 0 161.270 1.263 10 0 ADAERN CCCSCC(=O)N(C)C 41364169 343234185 /nfs/dbraw/zinc/23/41/85/343234185.db2.gz CSSJLWGFTANHGJ-UHFFFAOYSA-N 0 0 161.270 1.218 10 0 ADAERN CCCSCC(=O)N1CCCC1 41364171 343234216 /nfs/dbraw/zinc/23/42/16/343234216.db2.gz HLHRBUTVYXUNLD-UHFFFAOYSA-N 0 0 187.308 1.752 10 0 ADAERN Cc1cc(C)n([C@@H](C)C(=O)N(C)C)n1 41367336 343234415 /nfs/dbraw/zinc/23/44/15/343234415.db2.gz HUOJZTDIOGATAL-VIFPVBQESA-N 0 0 195.266 1.149 10 0 ADAERN Cc1ccc2[nH]c(CN(C)C)nc2c1 41580061 343234850 /nfs/dbraw/zinc/23/48/50/343234850.db2.gz RQFHTNVFZNEMKG-UHFFFAOYSA-N 0 0 189.262 1.933 10 0 ADAERN Cc1ccc(NC[C@@H](O)CO)c(C)c1 41578734 343234908 /nfs/dbraw/zinc/23/49/08/343234908.db2.gz GYXKVICGOHPVND-SNVBAGLBSA-N 0 0 195.262 1.069 10 0 ADAERN CCCCS[C@H](C)C(N)=O 41392976 343235038 /nfs/dbraw/zinc/23/50/38/343235038.db2.gz HQUJSSMGJMUZEB-ZCFIWIBFSA-N 0 0 161.270 1.394 10 0 ADAERN Cc1cc(C)cc(NC[C@@H](O)CO)c1 41578791 343235079 /nfs/dbraw/zinc/23/50/79/343235079.db2.gz SDFRGVHLAXVEGG-LLVKDONJSA-N 0 0 195.262 1.069 10 0 ADAERN Cc1ccc(NC[C@@H](O)CO)cc1C 41571118 343235165 /nfs/dbraw/zinc/23/51/65/343235165.db2.gz IFVHXRNNLCSFGA-LLVKDONJSA-N 0 0 195.262 1.069 10 0 ADAERN CCCCS[C@@H](C)C(N)=O 41392974 343235204 /nfs/dbraw/zinc/23/52/04/343235204.db2.gz HQUJSSMGJMUZEB-LURJTMIESA-N 0 0 161.270 1.394 10 0 ADAERN CN(C)Cc1nc2cc(F)ccc2[nH]1 41580063 343235237 /nfs/dbraw/zinc/23/52/37/343235237.db2.gz PKCNHYKORYSFPO-UHFFFAOYSA-N 0 0 193.225 1.764 10 0 ADAERN Cc1ccsc1[C@@H](N)c1ncon1 41674645 343235426 /nfs/dbraw/zinc/23/54/26/343235426.db2.gz LXUOBSWNUHPCQU-ZCFIWIBFSA-N 0 0 195.247 1.488 10 0 ADAERN CCc1nc(C(C)(C)C)n[nH]1 41665295 343235495 /nfs/dbraw/zinc/23/54/95/343235495.db2.gz MJJSAGBSLKPEBS-UHFFFAOYSA-N 0 0 153.229 1.665 10 0 ADAERN Cc1nc([C@H](N)c2cccs2)no1 41672978 343235656 /nfs/dbraw/zinc/23/56/56/343235656.db2.gz VCDQMGRHMRQCDQ-SSDOTTSWSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1nc([C@@H](N)c2cccs2)no1 41672981 343235665 /nfs/dbraw/zinc/23/56/65/343235665.db2.gz VCDQMGRHMRQCDQ-ZETCQYMHSA-N 0 0 195.247 1.488 10 0 ADAERN CCc1nnc(NC(C)C)s1 41651039 343235718 /nfs/dbraw/zinc/23/57/18/343235718.db2.gz LPNUWBPOTSSIKO-UHFFFAOYSA-N 0 0 171.269 1.921 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[N@@H+]1CCC[C@@H]1C 41838442 343235849 /nfs/dbraw/zinc/23/58/49/343235849.db2.gz RMUIHAKRRXBOJY-WPRPVWTQSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H]1CCC[N@@H+]1C1(C(=O)[O-])CCCC1 41838747 343235903 /nfs/dbraw/zinc/23/59/03/343235903.db2.gz UIXCXFNVDGAWDP-VIFPVBQESA-N 0 0 197.278 1.868 10 0 ADAERN Cc1ccc([C@H](N)c2ncon2)s1 41676974 343235920 /nfs/dbraw/zinc/23/59/20/343235920.db2.gz QUQGRLRFKQMASZ-ZETCQYMHSA-N 0 0 195.247 1.488 10 0 ADAERN CNC(=O)Nc1cccc([C@H](C)O)c1 41705545 343235946 /nfs/dbraw/zinc/23/59/46/343235946.db2.gz NGHQSJFAUVILJQ-ZETCQYMHSA-N 0 0 194.234 1.491 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@](C)(C(=O)[O-])C1CC1 41838775 343235950 /nfs/dbraw/zinc/23/59/50/343235950.db2.gz KMEMYFBHFVDQJT-KWQFWETISA-N 0 0 197.278 1.724 10 0 ADAERN CNC(=O)Nc1cccc([C@@H](C)O)c1 41705549 343236006 /nfs/dbraw/zinc/23/60/06/343236006.db2.gz NGHQSJFAUVILJQ-SSDOTTSWSA-N 0 0 194.234 1.491 10 0 ADAERN Cc1ccc([C@@H](N)c2ncon2)s1 41676978 343236063 /nfs/dbraw/zinc/23/60/63/343236063.db2.gz QUQGRLRFKQMASZ-SSDOTTSWSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1cc2c(n1C)CCC[C@@H]2O 41713006 343236073 /nfs/dbraw/zinc/23/60/73/343236073.db2.gz PQSOEIGMXAVYFY-JTQLQIEISA-N 0 0 165.236 1.703 10 0 ADAERN CC[C@](C)(C(=O)[O-])[N@@H+]1CCC[C@@H]1C 41838445 343236104 /nfs/dbraw/zinc/23/61/04/343236104.db2.gz RMUIHAKRRXBOJY-WCBMZHEXSA-N 0 0 185.267 1.724 10 0 ADAERN Cc1cc2c(n1C)CCC[C@H]2O 41713010 343236109 /nfs/dbraw/zinc/23/61/09/343236109.db2.gz PQSOEIGMXAVYFY-SNVBAGLBSA-N 0 0 165.236 1.703 10 0 ADAERN C[N@H+](C1CC1)C1(C(=O)[O-])CCCC1 41856582 343236128 /nfs/dbraw/zinc/23/61/28/343236128.db2.gz UKFKZALLOXFIAY-UHFFFAOYSA-N 0 0 183.251 1.478 10 0 ADAERN C[C@H]1CCC[N@@H+]1C(C)(C)C(=O)[O-] 41838549 343236159 /nfs/dbraw/zinc/23/61/59/343236159.db2.gz ZUNYHAGHMCETDD-ZETCQYMHSA-N 0 0 171.240 1.334 10 0 ADAERN Cc1nnc(-c2ccc(N)cc2)n1C 42013775 343236594 /nfs/dbraw/zinc/23/65/94/343236594.db2.gz YWNNFZTVXDYNSG-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cc(Cl)cc2c1NC(=O)[C@H]2O 42041378 343237276 /nfs/dbraw/zinc/23/72/76/343237276.db2.gz FXAKTSNOQAFBOT-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN Cc1cc(Cl)c2c(c1)[C@H](O)C(=O)N2 42041252 343237280 /nfs/dbraw/zinc/23/72/80/343237280.db2.gz JKMATIBHHZOEBV-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN CN(C(=O)C1CC1)c1ccncc1N 42140286 343237327 /nfs/dbraw/zinc/23/73/27/343237327.db2.gz PAFVCORETNWFCI-UHFFFAOYSA-N 0 0 191.234 1.037 10 0 ADAERN Cc1ccc2c(c1C)N(C)C(=O)C2=O 42076627 343237370 /nfs/dbraw/zinc/23/73/70/343237370.db2.gz DJXCEFRVIDUVSR-UHFFFAOYSA-N 0 0 189.214 1.463 10 0 ADAERN Cc1ccc2c(c1C)NC(=O)[C@H]2O 42041321 343237384 /nfs/dbraw/zinc/23/73/84/343237384.db2.gz UYBVJIVLQNMPSP-VIFPVBQESA-N 0 0 177.203 1.289 10 0 ADAERN CCc1cccc2c1NC(=O)[C@H]2O 42041458 343237453 /nfs/dbraw/zinc/23/74/53/343237453.db2.gz GIEHXCPXAKDQEC-VIFPVBQESA-N 0 0 177.203 1.235 10 0 ADAERN Cc1cc(F)c2c(c1)[C@@H](O)C(=O)N2 42041298 343237450 /nfs/dbraw/zinc/23/74/50/343237450.db2.gz QJMJMJCKZLVNDS-MRVPVSSYSA-N 0 0 181.166 1.120 10 0 ADAERN Cc1cc(C)c2c(c1)N(C)C(=O)C2=O 42101229 343237556 /nfs/dbraw/zinc/23/75/56/343237556.db2.gz IXDQKRORQNEIKQ-UHFFFAOYSA-N 0 0 189.214 1.463 10 0 ADAERN Cc1cc(C)c2c(c1)C(=O)C(=O)N2C 42074816 343237580 /nfs/dbraw/zinc/23/75/80/343237580.db2.gz UKVQDVYHOSCQFJ-UHFFFAOYSA-N 0 0 189.214 1.463 10 0 ADAERN Cc1cc(-c2nc[nH]n2)ccc1N 42040996 343237588 /nfs/dbraw/zinc/23/75/88/343237588.db2.gz IGSJOAAIALFYFD-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1ccc(F)c2c1NC(=O)[C@H]2O 42041279 343237644 /nfs/dbraw/zinc/23/76/44/343237644.db2.gz AQCDTJGRNKUQNX-QMMMGPOBSA-N 0 0 181.166 1.120 10 0 ADAERN CCCC(=O)Nc1ccccc1CO 42208193 343237822 /nfs/dbraw/zinc/23/78/22/343237822.db2.gz NQYAKLYHFJDPIJ-UHFFFAOYSA-N 0 0 193.246 1.918 10 0 ADAERN C[S@](=O)c1nc2cc(N)ccc2o1 42196428 343237835 /nfs/dbraw/zinc/23/78/35/343237835.db2.gz MEYVLIQEXBYOBR-CYBMUJFWSA-N 0 0 196.231 1.147 10 0 ADAERN CC(C)[S@](=O)c1ccc(N)cc1 42196997 343237843 /nfs/dbraw/zinc/23/78/43/343237843.db2.gz YHTNRWIWDFQHNJ-GFCCVEGCSA-N 0 0 183.276 1.785 10 0 ADAERN CC(C)C[S@@](=O)c1ncccc1N 42197793 343237867 /nfs/dbraw/zinc/23/78/67/343237867.db2.gz IWWPHDHLOGCLOO-ZDUSSCGKSA-N 0 0 198.291 1.427 10 0 ADAERN CC(C)[S@](=O)c1ncccc1N 42197803 343237881 /nfs/dbraw/zinc/23/78/81/343237881.db2.gz WJOISIJBLFJFKA-GFCCVEGCSA-N 0 0 184.264 1.180 10 0 ADAERN CC(C)[S@](=O)c1ccccc1N 42194142 343237902 /nfs/dbraw/zinc/23/79/02/343237902.db2.gz PMLPVNJKQPSWAI-GFCCVEGCSA-N 0 0 183.276 1.785 10 0 ADAERN CC(C)[S@@](=O)c1ccccc1N 42194140 343237907 /nfs/dbraw/zinc/23/79/07/343237907.db2.gz PMLPVNJKQPSWAI-LBPRGKRZSA-N 0 0 183.276 1.785 10 0 ADAERN C[S@](=O)c1nc2ccc(N)cc2o1 42195405 343238029 /nfs/dbraw/zinc/23/80/29/343238029.db2.gz NTJLDKBIWOYJOP-CYBMUJFWSA-N 0 0 196.231 1.147 10 0 ADAERN C[S@](=O)c1c(F)cc(N)cc1F 42198565 343238135 /nfs/dbraw/zinc/23/81/35/343238135.db2.gz SYGYZGQVWNEYJE-GFCCVEGCSA-N 0 0 191.202 1.284 10 0 ADAERN CN(Cc1ccc(F)cc1)C(N)=O 42227878 343238308 /nfs/dbraw/zinc/23/83/08/343238308.db2.gz BCISIWYXWPLVKA-UHFFFAOYSA-N 0 0 182.198 1.336 10 0 ADAERN Cc1ccc([C@H](C)NC(N)=O)o1 42227951 343238335 /nfs/dbraw/zinc/23/83/35/343238335.db2.gz UQBFSOANXLBKHK-LURJTMIESA-N 0 0 168.196 1.317 10 0 ADAERN Cc1ccc([C@@H](C)NC(N)=O)o1 42227947 343238338 /nfs/dbraw/zinc/23/83/38/343238338.db2.gz UQBFSOANXLBKHK-ZCFIWIBFSA-N 0 0 168.196 1.317 10 0 ADAERN C[C@H](NC(N)=O)c1cccc(F)c1 42227921 343238343 /nfs/dbraw/zinc/23/83/43/343238343.db2.gz ZESXVGOMPNWKPY-LURJTMIESA-N 0 0 182.198 1.555 10 0 ADAERN CN(Cc1ccc(Cl)cc1)C(N)=O 42227867 343238362 /nfs/dbraw/zinc/23/83/62/343238362.db2.gz GTQVBZKRULAQRI-UHFFFAOYSA-N 0 0 198.653 1.851 10 0 ADAERN CC(C)OCCN1CCC(=O)CC1 42223178 343238365 /nfs/dbraw/zinc/23/83/65/343238365.db2.gz PEAHAJDJLFWMOZ-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN C[C@H](NC(N)=O)c1ccccc1F 42227913 343238451 /nfs/dbraw/zinc/23/84/51/343238451.db2.gz IZSUODVSKOSQQZ-LURJTMIESA-N 0 0 182.198 1.555 10 0 ADAERN CC[S@](=O)c1ccc(N)cc1 42295405 343239314 /nfs/dbraw/zinc/23/93/14/343239314.db2.gz JGESHDPUFLHZBA-LLVKDONJSA-N 0 0 169.249 1.396 10 0 ADAERN Cc1cnn(CC(=O)OC(C)C)c1 42267420 343239323 /nfs/dbraw/zinc/23/93/23/343239323.db2.gz HMSVDOAFHZTPMP-UHFFFAOYSA-N 0 0 182.223 1.143 10 0 ADAERN Cc1nc(C)n([C@H]2CCCC[C@@H]2O)n1 42290451 343239359 /nfs/dbraw/zinc/23/93/59/343239359.db2.gz FRTUBLPZSIXHJI-UWVGGRQHSA-N 0 0 195.266 1.371 10 0 ADAERN CC(C)[C@@H](O)c1cnn(C)c1 42268498 343239527 /nfs/dbraw/zinc/23/95/27/343239527.db2.gz MXAHLFXMZLBEOQ-MRVPVSSYSA-N 0 0 154.213 1.110 10 0 ADAERN Cc1nc(C)n([C@@H]2CCCC[C@@H]2O)n1 42290448 343239529 /nfs/dbraw/zinc/23/95/29/343239529.db2.gz FRTUBLPZSIXHJI-ZJUUUORDSA-N 0 0 195.266 1.371 10 0 ADAERN CC(C)[C@H](O)c1cnn(C)c1 42268495 343239547 /nfs/dbraw/zinc/23/95/47/343239547.db2.gz MXAHLFXMZLBEOQ-QMMMGPOBSA-N 0 0 154.213 1.110 10 0 ADAERN Cc1nc(C)n([C@H]2CCCC[C@H]2O)n1 42290457 343239580 /nfs/dbraw/zinc/23/95/80/343239580.db2.gz FRTUBLPZSIXHJI-VHSXEESVSA-N 0 0 195.266 1.371 10 0 ADAERN CC[S@@](=O)c1ccc(N)cc1 42295400 343239663 /nfs/dbraw/zinc/23/96/63/343239663.db2.gz JGESHDPUFLHZBA-NSHDSACASA-N 0 0 169.249 1.396 10 0 ADAERN COC(=O)[C@@H](C)N[C@@H](C)CC(C)C 42304275 343240026 /nfs/dbraw/zinc/24/00/26/343240026.db2.gz JBLCLZDGKMSJOJ-DTWKUNHWSA-N 0 0 187.283 1.572 10 0 ADAERN CCc1nccn1[C@H]1CCC[C@@H]1O 42304892 343240083 /nfs/dbraw/zinc/24/00/83/343240083.db2.gz AENRIQLDAYKMAS-IUCAKERBSA-N 0 0 180.251 1.531 10 0 ADAERN Cc1cnn(C2CCSCC2)c1N 42334886 343240207 /nfs/dbraw/zinc/24/02/07/343240207.db2.gz CAQZLLUOSCHHKL-UHFFFAOYSA-N 0 0 197.307 1.842 10 0 ADAERN CCC1CCC(NC(N)=O)CC1 42350398 343240408 /nfs/dbraw/zinc/24/04/08/343240408.db2.gz BWXNOASWVJVBJO-UHFFFAOYSA-N 0 0 170.256 1.624 10 0 ADAERN Cc1c(N)cnn1[C@@H](C)C1CC1 42356174 343240883 /nfs/dbraw/zinc/24/08/83/343240883.db2.gz AFZUYVUPMJKGOU-LURJTMIESA-N 0 0 165.240 1.745 10 0 ADAERN CC(C)c1nc(C(F)(F)F)n[nH]1 42373609 343240957 /nfs/dbraw/zinc/24/09/57/343240957.db2.gz JKSWHQUXEBJZEW-UHFFFAOYSA-N 0 0 179.145 1.947 10 0 ADAERN CC[S@](=O)Cc1cccc(N)c1 42372881 343241098 /nfs/dbraw/zinc/24/10/98/343241098.db2.gz XBRQYHRPXVEWHQ-GFCCVEGCSA-N 0 0 183.276 1.537 10 0 ADAERN CCC(=O)N(C)c1cccc(N)c1 42372979 343241147 /nfs/dbraw/zinc/24/11/47/343241147.db2.gz NTCAKXFSSSRZHV-UHFFFAOYSA-N 0 0 178.235 1.642 10 0 ADAERN CC(C)c1nc2c(c(=O)[nH]1)CCC2 42401121 343241338 /nfs/dbraw/zinc/24/13/38/343241338.db2.gz PISMQSQVECMQCB-UHFFFAOYSA-N 0 0 178.235 1.382 10 0 ADAERN CC(C)Cc1nc2c(c(=O)[nH]1)CCC2 42401118 343241411 /nfs/dbraw/zinc/24/14/11/343241411.db2.gz IBFYRGAAYOQFRA-UHFFFAOYSA-N 0 0 192.262 1.457 10 0 ADAERN CCC(=O)CC(F)(F)F 42413127 343241740 /nfs/dbraw/zinc/24/17/40/343241740.db2.gz YBTCBNQUROAZJL-UHFFFAOYSA-N 0 0 140.104 1.918 10 0 ADAERN C[C@H](N)c1nc(CC(F)(F)F)no1 42413022 343241745 /nfs/dbraw/zinc/24/17/45/343241745.db2.gz POHWJZMJNJXTSE-VKHMYHEASA-N 0 0 195.144 1.194 10 0 ADAERN CCc1nc2c(c(=O)[nH]1)CCCC2 42404053 343241955 /nfs/dbraw/zinc/24/19/55/343241955.db2.gz BNXDHHMRVWEFGH-UHFFFAOYSA-N 0 0 178.235 1.211 10 0 ADAERN Cc1cccc(N)c1-c1ncc[nH]1 42414903 343242003 /nfs/dbraw/zinc/24/20/03/343242003.db2.gz GWTYYHXEYIUTGY-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CN(C)C(=O)Cc1cccc(O)c1 42417991 343242133 /nfs/dbraw/zinc/24/21/33/343242133.db2.gz SKCQNBYJFLMYKZ-UHFFFAOYSA-N 0 0 179.219 1.023 10 0 ADAERN Cc1ccc(N)cc1-c1ncc[nH]1 42414902 343242172 /nfs/dbraw/zinc/24/21/72/343242172.db2.gz IOKKVAMUKPPQIN-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1c(N)cccc1-c1ncc[nH]1 42414899 343242198 /nfs/dbraw/zinc/24/21/98/343242198.db2.gz DLFCDNZWJJKPQO-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CCc1nccn1-c1ccc(N)nc1 42419562 343242319 /nfs/dbraw/zinc/24/23/19/343242319.db2.gz OGGZKOGSVBMGBF-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN Cc1cccc(N2CCC[C@H]2CO)n1 42434568 343242535 /nfs/dbraw/zinc/24/25/35/343242535.db2.gz ROJSKYFIYIYFAL-JTQLQIEISA-N 0 0 192.262 1.351 10 0 ADAERN Cc1ccc(N2CCC[C@H]2CO)nc1 42434710 343242679 /nfs/dbraw/zinc/24/26/79/343242679.db2.gz LBJWDYFOZDREMP-JTQLQIEISA-N 0 0 192.262 1.351 10 0 ADAERN Cc1cccc(CN(C)C(N)=S)c1 42435880 343242767 /nfs/dbraw/zinc/24/27/67/343242767.db2.gz NFPXDNCDHBLGRJ-UHFFFAOYSA-N 0 0 194.303 1.670 10 0 ADAERN CN(Cc1ccccc1F)C(N)=S 42436864 343242838 /nfs/dbraw/zinc/24/28/38/343242838.db2.gz MTXCMPYETNDKCG-UHFFFAOYSA-N 0 0 198.266 1.501 10 0 ADAERN CN(Cc1ccc(F)cc1)C(N)=S 42437102 343242864 /nfs/dbraw/zinc/24/28/64/343242864.db2.gz UAXIQUXAFJZCCU-UHFFFAOYSA-N 0 0 198.266 1.501 10 0 ADAERN CCC1CCN(C(N)=S)CC1 42447309 343243209 /nfs/dbraw/zinc/24/32/09/343243209.db2.gz QBVBXSJNZYZLNU-UHFFFAOYSA-N 0 0 172.297 1.352 10 0 ADAERN CC1CCC(OC(=O)[C@@H](C)N)CC1 42462846 343243704 /nfs/dbraw/zinc/24/37/04/343243704.db2.gz NCCWOZDXJKLBIX-QJAFJHJLSA-N 0 0 185.267 1.456 10 0 ADAERN CC1CCC([N@@H+](C)[C@H](C)C(=O)[O-])CC1 42487875 343244143 /nfs/dbraw/zinc/24/41/43/343244143.db2.gz YLHLYBKUTMMNQI-HWOCKDDLSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1CCC[C@H](N(C)C(N)=S)C1 42494088 343244929 /nfs/dbraw/zinc/24/49/29/343244929.db2.gz GYZNLNSTGXGJLF-YUMQZZPRSA-N 0 0 186.324 1.741 10 0 ADAERN C[C@@H]1CCC[C@H](N(C)C(N)=S)C1 42494086 343245012 /nfs/dbraw/zinc/24/50/12/343245012.db2.gz GYZNLNSTGXGJLF-SFYZADRCSA-N 0 0 186.324 1.741 10 0 ADAERN C[C@H]1CCC[C@@H](N(C)C(N)=S)C1 42494092 343245046 /nfs/dbraw/zinc/24/50/46/343245046.db2.gz GYZNLNSTGXGJLF-JGVFFNPUSA-N 0 0 186.324 1.741 10 0 ADAERN S=c1[nH]ccn1CCn1ccnc1 42541858 343245299 /nfs/dbraw/zinc/24/52/99/343245299.db2.gz DXMGGPFNRFNMGK-UHFFFAOYSA-N 0 0 194.263 1.442 10 0 ADAERN c1ccn(CCn2cccn2)c1 42542581 343245529 /nfs/dbraw/zinc/24/55/29/343245529.db2.gz NTARZWULTHTHLM-UHFFFAOYSA-N 0 0 161.208 1.385 10 0 ADAERN C[C@H](Cn1cccn1)n1cccc1 42542575 343245781 /nfs/dbraw/zinc/24/57/81/343245781.db2.gz VRXXZKWRFXHJIZ-SNVBAGLBSA-N 0 0 175.235 1.946 10 0 ADAERN CC[C@@H](C)[C@@H](C)N1CCC(=O)C1 42556545 343246720 /nfs/dbraw/zinc/24/67/20/343246720.db2.gz SQMPNKAXLJGIHW-RKDXNWHRSA-N 0 0 169.268 1.696 10 0 ADAERN CC[C@H](C)[C@@H](C)N1CCC(=O)C1 42556548 343246770 /nfs/dbraw/zinc/24/67/70/343246770.db2.gz SQMPNKAXLJGIHW-DTWKUNHWSA-N 0 0 169.268 1.696 10 0 ADAERN CC[C@@H](C)[C@H](C)N1C(=O)C=CC1=O 42556710 343246777 /nfs/dbraw/zinc/24/67/77/343246777.db2.gz QTNKPFIISIJJTJ-SFYZADRCSA-N 0 0 181.235 1.346 10 0 ADAERN CC[C@@H](C)[C@H](C)N1CCC(=O)C1 42556551 343246842 /nfs/dbraw/zinc/24/68/42/343246842.db2.gz SQMPNKAXLJGIHW-BDAKNGLRSA-N 0 0 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343249915 /nfs/dbraw/zinc/24/99/15/343249915.db2.gz AXHLUVGMLAIROZ-HTQZYQBOSA-N 0 0 186.324 1.646 10 0 ADAERN C[C@H]1N[C@@H](C2CCCCC2)NC1=O 42802634 343249921 /nfs/dbraw/zinc/24/99/21/343249921.db2.gz WMDLLHCTQPWEJS-VXNVDRBHSA-N 0 0 182.267 1.001 10 0 ADAERN C[C@H]1CCCC[C@@H]1CNC(N)=S 42866446 343249973 /nfs/dbraw/zinc/24/99/73/343249973.db2.gz AXHLUVGMLAIROZ-JGVFFNPUSA-N 0 0 186.324 1.646 10 0 ADAERN C[C@H]1N[C@H](C2CCCCC2)NC1=O 42802642 343250016 /nfs/dbraw/zinc/25/00/16/343250016.db2.gz WMDLLHCTQPWEJS-APPZFPTMSA-N 0 0 182.267 1.001 10 0 ADAERN C[C@H]1CCCC[C@H]1CNC(N)=S 42866452 343250051 /nfs/dbraw/zinc/25/00/51/343250051.db2.gz AXHLUVGMLAIROZ-YUMQZZPRSA-N 0 0 186.324 1.646 10 0 ADAERN C[C@@H]1N[C@H](C2CCCCC2)NC1=O 42802646 343250071 /nfs/dbraw/zinc/25/00/71/343250071.db2.gz WMDLLHCTQPWEJS-CBAPKCEASA-N 0 0 182.267 1.001 10 0 ADAERN CC1CCC2(CC1)NC(=O)[C@H](C)N2 42810146 343250090 /nfs/dbraw/zinc/25/00/90/343250090.db2.gz YUISUDPNLMPXJU-ZCUBBSJVSA-N 0 0 182.267 1.001 10 0 ADAERN 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1.455 10 0 ADAERN CC(C)Cc1c[nH]nc1N 43375445 343251656 /nfs/dbraw/zinc/25/16/56/343251656.db2.gz IJRZDFOKRLTYKO-UHFFFAOYSA-N 0 0 139.202 1.190 10 0 ADAERN CC(C)[C@](C)(O)C(F)(F)F 43367800 343251772 /nfs/dbraw/zinc/25/17/72/343251772.db2.gz JZIJINBKNFTNMA-YFKPBYRVSA-N 0 0 156.147 1.956 10 0 ADAERN CC[C@@H](C)[C@H](O)C(F)(F)F 43368004 343251780 /nfs/dbraw/zinc/25/17/80/343251780.db2.gz YFHSXTIFYOSFFE-UHNVWZDZSA-N 0 0 156.147 1.956 10 0 ADAERN CCCC(=O)[C@H](C)CC(=O)OC 43368833 343251792 /nfs/dbraw/zinc/25/17/92/343251792.db2.gz VDCYHRHVEVPEMC-SSDOTTSWSA-N 0 0 172.224 1.555 10 0 ADAERN CC(C)[C@@](C)(O)C(F)(F)F 43367801 343251841 /nfs/dbraw/zinc/25/18/41/343251841.db2.gz JZIJINBKNFTNMA-RXMQYKEDSA-N 0 0 156.147 1.956 10 0 ADAERN CC[C@H](C)[C@H](O)C(F)(F)F 43368005 343251850 /nfs/dbraw/zinc/25/18/50/343251850.db2.gz YFHSXTIFYOSFFE-WHFBIAKZSA-N 0 0 156.147 1.956 10 0 ADAERN Cc1ccc(NCCCO)c(F)c1 43444138 343251980 /nfs/dbraw/zinc/25/19/80/343251980.db2.gz VANLUALADGOABX-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN CC(=O)CN1CCO[C@H]2CCCC[C@@H]21 43426490 343251982 /nfs/dbraw/zinc/25/19/82/343251982.db2.gz CSCLDGDIODZQBP-QWRGUYRKSA-N 0 0 197.278 1.219 10 0 ADAERN CC(=O)CN1CCO[C@@H]2CCCC[C@@H]21 43426491 343252090 /nfs/dbraw/zinc/25/20/90/343252090.db2.gz CSCLDGDIODZQBP-WDEREUQCSA-N 0 0 197.278 1.219 10 0 ADAERN Cc1ccc(C(N)=S)c(N(C)C)n1 43396498 343252194 /nfs/dbraw/zinc/25/21/94/343252194.db2.gz XFMDHPVKFRFHBB-UHFFFAOYSA-N 0 0 195.291 1.090 10 0 ADAERN Cc1ccc(F)c(NCCCO)c1 43444141 343252234 /nfs/dbraw/zinc/25/22/34/343252234.db2.gz CJLSZEYYSVGQSA-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN Cn1cc(C(=O)C[C@@H]2CCCO2)cn1 43462061 343252353 /nfs/dbraw/zinc/25/23/53/343252353.db2.gz GOFIJAUJDLCUKR-VIFPVBQESA-N 0 0 194.234 1.172 10 0 ADAERN CC[C@](C)(O)c1cnn(C)c1 43461846 343252365 /nfs/dbraw/zinc/25/23/65/343252365.db2.gz OCIZMYXJFMFZDK-QMMMGPOBSA-N 0 0 154.213 1.038 10 0 ADAERN CCC(O)(CC)c1cnn(C)c1 43461849 343252376 /nfs/dbraw/zinc/25/23/76/343252376.db2.gz HLGFUEVIYSIOMG-UHFFFAOYSA-N 0 0 168.240 1.428 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1cnn(C)c1 43461879 343252387 /nfs/dbraw/zinc/25/23/87/343252387.db2.gz PVMDMXVMBGUFCL-PSASIEDQSA-N 0 0 182.267 1.674 10 0 ADAERN CC(C)[C@](C)(O)c1cnn(C)c1 43461851 343252410 /nfs/dbraw/zinc/25/24/10/343252410.db2.gz VEPUSWJEBZQFCQ-VIFPVBQESA-N 0 0 168.240 1.284 10 0 ADAERN CC[C@](O)(c1cnn(C)c1)C(C)C 43461884 343252426 /nfs/dbraw/zinc/25/24/26/343252426.db2.gz YDLUQGAIIBSEAL-SNVBAGLBSA-N 0 0 182.267 1.674 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1cnn(C)c1 43461881 343252443 /nfs/dbraw/zinc/25/24/43/343252443.db2.gz PVMDMXVMBGUFCL-WCBMZHEXSA-N 0 0 182.267 1.674 10 0 ADAERN S=c1[nH]ncn1N1CCCCC1 43463605 343252446 /nfs/dbraw/zinc/25/24/46/343252446.db2.gz OQZBPUIJIZQUQX-UHFFFAOYSA-N 0 0 184.268 1.063 10 0 ADAERN CCn1cc([C@@](C)(O)C(C)C)cn1 43467529 343252453 /nfs/dbraw/zinc/25/24/53/343252453.db2.gz NGXFAUZCYXLTKA-JTQLQIEISA-N 0 0 182.267 1.767 10 0 ADAERN Cc1n[nH]c(=S)n1N1CCCCC1 43463607 343252458 /nfs/dbraw/zinc/25/24/58/343252458.db2.gz XGRJCZYQBSXQTR-UHFFFAOYSA-N 0 0 198.295 1.371 10 0 ADAERN CCn1cc([C@@](C)(O)CC)cn1 43467515 343252464 /nfs/dbraw/zinc/25/24/64/343252464.db2.gz FWEGVGGDGFRRSO-VIFPVBQESA-N 0 0 168.240 1.521 10 0 ADAERN C[C@H](O)Cc1cc(F)ccc1F 43459473 343252484 /nfs/dbraw/zinc/25/24/84/343252484.db2.gz ASXTZRAHXMCZTN-LURJTMIESA-N 0 0 172.174 1.888 10 0 ADAERN Cn1cc(C(=O)C[C@H]2CCCO2)cn1 43462063 343252499 /nfs/dbraw/zinc/25/24/99/343252499.db2.gz GOFIJAUJDLCUKR-SECBINFHSA-N 0 0 194.234 1.172 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)c1cnn(C)c1 43461766 343252504 /nfs/dbraw/zinc/25/25/04/343252504.db2.gz AJWDIDLNPQIJBJ-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN Cn1cc([C@H](O)C[C@H]2CCCO2)cn1 43462114 343252521 /nfs/dbraw/zinc/25/25/21/343252521.db2.gz QPVDFWDRUALKJB-NXEZZACHSA-N 0 0 196.250 1.023 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1cnn(C)c1 43461877 343252531 /nfs/dbraw/zinc/25/25/31/343252531.db2.gz PVMDMXVMBGUFCL-WPRPVWTQSA-N 0 0 182.267 1.674 10 0 ADAERN C[C@H]1CCCC[C@]1(O)c1cnn(C)c1 43461762 343252535 /nfs/dbraw/zinc/25/25/35/343252535.db2.gz AJWDIDLNPQIJBJ-GXSJLCMTSA-N 0 0 194.278 1.818 10 0 ADAERN Cn1cc(C2(O)CCCCC2)cn1 43461714 343252540 /nfs/dbraw/zinc/25/25/40/343252540.db2.gz MIVLBJPUFWPHOK-UHFFFAOYSA-N 0 0 180.251 1.572 10 0 ADAERN Cn1cc(C2(O)CCCCCC2)cn1 43461788 343252543 /nfs/dbraw/zinc/25/25/43/343252543.db2.gz QUALLIFECYYKLY-UHFFFAOYSA-N 0 0 194.278 1.962 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1cnn(C)c1 43461876 343252567 /nfs/dbraw/zinc/25/25/67/343252567.db2.gz PVMDMXVMBGUFCL-SCZZXKLOSA-N 0 0 182.267 1.674 10 0 ADAERN CC[C@@](O)(c1cnn(C)c1)C(C)C 43461883 343252575 /nfs/dbraw/zinc/25/25/75/343252575.db2.gz YDLUQGAIIBSEAL-JTQLQIEISA-N 0 0 182.267 1.674 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)c1cnn(C)c1 43461764 343252582 /nfs/dbraw/zinc/25/25/82/343252582.db2.gz AJWDIDLNPQIJBJ-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN Cn1cc([C@@H](O)C[C@H]2CCCO2)cn1 43462116 343252590 /nfs/dbraw/zinc/25/25/90/343252590.db2.gz QPVDFWDRUALKJB-ZJUUUORDSA-N 0 0 196.250 1.023 10 0 ADAERN Cn1cc([C@H](O)C[C@@H]2CCCO2)cn1 43462110 343252609 /nfs/dbraw/zinc/25/26/09/343252609.db2.gz QPVDFWDRUALKJB-VHSXEESVSA-N 0 0 196.250 1.023 10 0 ADAERN CC(C)[C@@](C)(O)c1cnn(C)c1 43461853 343252647 /nfs/dbraw/zinc/25/26/47/343252647.db2.gz VEPUSWJEBZQFCQ-SECBINFHSA-N 0 0 168.240 1.284 10 0 ADAERN CC[C@@](C)(O)c1cnn(C)c1 43461848 343252649 /nfs/dbraw/zinc/25/26/49/343252649.db2.gz OCIZMYXJFMFZDK-MRVPVSSYSA-N 0 0 154.213 1.038 10 0 ADAERN CCn1cc(-c2cnc(N)s2)cn1 43462492 343252654 /nfs/dbraw/zinc/25/26/54/343252654.db2.gz WRFIXODVCUIPSL-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN COCC(=O)c1cccc(F)c1C 43504846 343252676 /nfs/dbraw/zinc/25/26/76/343252676.db2.gz WVTMSAHIIBULOD-UHFFFAOYSA-N 0 0 182.194 1.963 10 0 ADAERN COCC(=O)c1sccc1C 43504930 343252702 /nfs/dbraw/zinc/25/27/02/343252702.db2.gz GOEUBWLDFGNYPC-UHFFFAOYSA-N 0 0 170.233 1.886 10 0 ADAERN COCC(=O)c1ccc(OC)cc1C 43504882 343252727 /nfs/dbraw/zinc/25/27/27/343252727.db2.gz 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IIXMFSVEDLMWOQ-UHFFFAOYSA-N 0 0 194.230 1.662 10 0 ADAERN Cc1nn([C@@H](C)C(N)=S)c(C)c1C 43514861 343253507 /nfs/dbraw/zinc/25/35/07/343253507.db2.gz HWJPUMJZAFKRHP-QMMMGPOBSA-N 0 0 197.307 1.655 10 0 ADAERN Cc1nccn1[C@@H](C)C(N)=S 43514795 343253552 /nfs/dbraw/zinc/25/35/52/343253552.db2.gz INEVIKFVZVPWCW-YFKPBYRVSA-N 0 0 169.253 1.039 10 0 ADAERN C[C@H](C(N)=S)n1cc(Cl)cn1 43514848 343253563 /nfs/dbraw/zinc/25/35/63/343253563.db2.gz GDFWOLXSCCWODC-SCSAIBSYSA-N 0 0 189.671 1.384 10 0 ADAERN Cc1cc(C)n([C@@H](C)C(N)=S)n1 43514797 343253572 /nfs/dbraw/zinc/25/35/72/343253572.db2.gz NAITWNCZQCNMGJ-ZETCQYMHSA-N 0 0 183.280 1.347 10 0 ADAERN CCCN(C)c1nccnc1Cl 43537667 343254658 /nfs/dbraw/zinc/25/46/58/343254658.db2.gz CQBRFJWJTDNQPH-UHFFFAOYSA-N 0 0 185.658 1.976 10 0 ADAERN CC[C@H](C(N)=S)n1ccnc1 43540914 343254732 /nfs/dbraw/zinc/25/47/32/343254732.db2.gz VPPOTFGFUXWSRZ-ZCFIWIBFSA-N 0 0 169.253 1.120 10 0 ADAERN CN(c1nccnc1Cl)C1CC1 43537653 343254898 /nfs/dbraw/zinc/25/48/98/343254898.db2.gz HEWGNJNADIHVAG-UHFFFAOYSA-N 0 0 183.642 1.729 10 0 ADAERN CC[C@H](C(N)=S)n1cc(C)cn1 43541040 343254954 /nfs/dbraw/zinc/25/49/54/343254954.db2.gz RSFYGMVJEWHAFF-SSDOTTSWSA-N 0 0 183.280 1.429 10 0 ADAERN CC[C@@H]1CCc2[nH]c(=NN)sc2C1 43560027 343255504 /nfs/dbraw/zinc/25/55/04/343255504.db2.gz WQMQDWFLEATFPA-ZCFIWIBFSA-N 0 0 197.307 1.944 10 0 ADAERN Cc1ccc(-c2csc(=NN)[nH]2)o1 43560029 343255507 /nfs/dbraw/zinc/25/55/07/343255507.db2.gz OTLVFPTVAOZIHI-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CC[C@H](C)c1csc(=NN)[nH]1 43559996 343255537 /nfs/dbraw/zinc/25/55/37/343255537.db2.gz HUWOQXQOYDQZBE-YFKPBYRVSA-N 0 0 171.269 1.942 10 0 ADAERN Cc1ccnc(NCc2cc[nH]n2)c1 43561603 343255612 /nfs/dbraw/zinc/25/56/12/343255612.db2.gz LIHAKGOTEJGFSK-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN Cc1ccnc(Nc2cnn(C)c2)c1 43561477 343255638 /nfs/dbraw/zinc/25/56/38/343255638.db2.gz XABFTONPZRARJC-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Cc1ccnc(NCc2nc[nH]n2)c1 43561523 343255690 /nfs/dbraw/zinc/25/56/90/343255690.db2.gz ORAHFEXIGSCGSO-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN CC(C)c1csc(=NN)[nH]1 43560046 343255727 /nfs/dbraw/zinc/25/57/27/343255727.db2.gz YLODWLLACDWSGH-UHFFFAOYSA-N 0 0 157.242 1.552 10 0 ADAERN Cc1ccnc(NCc2cn[nH]c2)c1 43561525 343255734 /nfs/dbraw/zinc/25/57/34/343255734.db2.gz RWBIPMZOZWBPPS-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN CCc1[nH]c(=NN)sc1C 43560032 343255822 /nfs/dbraw/zinc/25/58/22/343255822.db2.gz WSYSUKMYBKLUGM-UHFFFAOYSA-N 0 0 157.242 1.300 10 0 ADAERN C[C@H]1CCCc2sc(=NN)[nH]c21 43560056 343255861 /nfs/dbraw/zinc/25/58/61/343255861.db2.gz XPQXJEZPIUWEPC-YFKPBYRVSA-N 0 0 183.280 1.869 10 0 ADAERN Cc1cnn(-c2cc(N)ccn2)c1 43569339 343256261 /nfs/dbraw/zinc/25/62/61/343256261.db2.gz BBNRTQPODAWQRN-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2CCCO2)o1 43609115 343256477 /nfs/dbraw/zinc/25/64/77/343256477.db2.gz LJDIXFAZFGBTLR-QMMMGPOBSA-N 0 0 180.203 1.950 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2CCOC2)o1 43608987 343256604 /nfs/dbraw/zinc/25/66/04/343256604.db2.gz CWOKDIRYIGOHTA-MRVPVSSYSA-N 0 0 180.203 1.807 10 0 ADAERN Cc1cccnc1-c1nccc(=O)[nH]1 43616241 343256880 /nfs/dbraw/zinc/25/68/80/343256880.db2.gz RALNHHCJXUPEMG-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN C[C@H]1C[C@@H](OCC(N)=O)CC(C)(C)C1 43639427 343257596 /nfs/dbraw/zinc/25/75/96/343257596.db2.gz MYRAMHXUUPCJBB-DTWKUNHWSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@H]1C[C@H](OCC(N)=O)CC(C)(C)C1 43639425 343257612 /nfs/dbraw/zinc/25/76/12/343257612.db2.gz MYRAMHXUUPCJBB-IUCAKERBSA-N 0 0 199.294 1.703 10 0 ADAERN CCc1ccc(-c2nc(N)n[nH]2)s1 43639731 343257614 /nfs/dbraw/zinc/25/76/14/343257614.db2.gz ZRAZAWUDFXBKBS-UHFFFAOYSA-N 0 0 194.263 1.678 10 0 ADAERN C[C@H](O)c1nnc(C2CCCC2)[nH]1 43647133 343257676 /nfs/dbraw/zinc/25/76/76/343257676.db2.gz ATECLOLOGXQKLT-LURJTMIESA-N 0 0 181.239 1.516 10 0 ADAERN C[C@H](O)c1nnc(C2CCCCC2)[nH]1 43647136 343257720 /nfs/dbraw/zinc/25/77/20/343257720.db2.gz 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/nfs/dbraw/zinc/25/87/36/343258736.db2.gz FJHZMVJYLNXLFG-ZETCQYMHSA-N 0 0 183.280 1.452 10 0 ADAERN COCC[C@@H]1C[C@H](C)CC[C@H]1O 43660237 343258783 /nfs/dbraw/zinc/25/87/83/343258783.db2.gz FVJXSVTUSDAITR-OPRDCNLKSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc(N)n(CC(C)(C)C)n1 43664835 343258785 /nfs/dbraw/zinc/25/87/85/343258785.db2.gz SGIGLVSJSVZFKY-UHFFFAOYSA-N 0 0 167.256 1.820 10 0 ADAERN Cc1cc(N)n([C@@H](C)C(C)C)n1 43664411 343258790 /nfs/dbraw/zinc/25/87/90/343258790.db2.gz GPTQFOZVYZFXNA-QMMMGPOBSA-N 0 0 167.256 1.991 10 0 ADAERN COCC[C@@H]1C[C@@H](C)CC[C@H]1O 43660239 343258853 /nfs/dbraw/zinc/25/88/53/343258853.db2.gz FVJXSVTUSDAITR-IVZWLZJFSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc(N)n([C@@H]2CCSC2)n1 43666828 343258891 /nfs/dbraw/zinc/25/88/91/343258891.db2.gz FJHZMVJYLNXLFG-SSDOTTSWSA-N 0 0 183.280 1.452 10 0 ADAERN CCn1ncc(Br)c1N 43666308 343258906 /nfs/dbraw/zinc/25/89/06/343258906.db2.gz JMOJNMNDLCYNOJ-UHFFFAOYSA-N 0 0 190.044 1.248 10 0 ADAERN CC(C)Cn1ncc(Cl)c1N 43665264 343258957 /nfs/dbraw/zinc/25/89/57/343258957.db2.gz LXZWSWHLTBSCFS-UHFFFAOYSA-N 0 0 173.647 1.775 10 0 ADAERN COCC[C@@H]1C[C@@H](C)CC[C@@H]1O 43660235 343258960 /nfs/dbraw/zinc/25/89/60/343258960.db2.gz FVJXSVTUSDAITR-AEJSXWLSSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc(N)n(C2CCSCC2)n1 43664859 343258986 /nfs/dbraw/zinc/25/89/86/343258986.db2.gz QHPAYMDTUWAGGT-UHFFFAOYSA-N 0 0 197.307 1.842 10 0 ADAERN Cc1cc(N)n([C@H](C)C(C)C)n1 43664414 343258995 /nfs/dbraw/zinc/25/89/95/343258995.db2.gz GPTQFOZVYZFXNA-MRVPVSSYSA-N 0 0 167.256 1.991 10 0 ADAERN C[C@H](O)CCN1CCc2ccccc21 44113613 343260261 /nfs/dbraw/zinc/26/02/61/343260261.db2.gz HCMUDCCVJZJLBK-JTQLQIEISA-N 0 0 191.274 1.820 10 0 ADAERN Cc1nc(-c2cscn2)cc(=O)[nH]1 44119175 343260294 /nfs/dbraw/zinc/26/02/94/343260294.db2.gz DKDWLUSTSWVXRF-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1cc(N)nc(-c2cccnc2)n1 44119424 343260299 /nfs/dbraw/zinc/26/02/99/343260299.db2.gz HGGPATLINMMOBC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ccc(-c2cnc(N)cn2)nc1 44117577 343260366 /nfs/dbraw/zinc/26/03/66/343260366.db2.gz IHTRWIFSSKXFRW-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1nc(-c2c[nH]c(=O)cn2)cs1 44117606 343260433 /nfs/dbraw/zinc/26/04/33/343260433.db2.gz RMPNNFNXNXUQGP-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1ccc(-c2c[nH]c(=O)cn2)nc1 44117581 343260508 /nfs/dbraw/zinc/26/05/08/343260508.db2.gz LEPZSADJJBCPRD-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CCC1=NC(=O)CS1 44118813 343260512 /nfs/dbraw/zinc/26/05/12/343260512.db2.gz LBHITKAIQSUNHB-UHFFFAOYSA-N 0 0 129.184 1.411 10 0 ADAERN Cc1cc(N)nc(-c2ccccn2)n1 44119420 343260514 /nfs/dbraw/zinc/26/05/14/343260514.db2.gz BCBBFKMSYARQQC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCc1nccc(Br)n1 44117028 343260529 /nfs/dbraw/zinc/26/05/29/343260529.db2.gz SNEAVUIQNCYGRC-UHFFFAOYSA-N 0 0 187.040 1.802 10 0 ADAERN Cc1nc(-c2cncs2)cc(=O)[nH]1 44119196 343260531 /nfs/dbraw/zinc/26/05/31/343260531.db2.gz OJCAUMGDETVEST-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1cnn(-c2nccc(Cl)n2)c1 44117944 343260579 /nfs/dbraw/zinc/26/05/79/343260579.db2.gz RIDHTGVMTRZIBH-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN CSC(=O)C(C)C 44082521 343260589 /nfs/dbraw/zinc/26/05/89/343260589.db2.gz JODNYDRGCYHKRC-UHFFFAOYSA-N 0 0 118.201 1.532 10 0 ADAERN CCc1cncc(Br)n1 44119892 343260761 /nfs/dbraw/zinc/26/07/61/343260761.db2.gz PXNAMPOICIOTHQ-UHFFFAOYSA-N 0 0 187.040 1.802 10 0 ADAERN Cc1ccccc1-c1cncc(=O)[nH]1 44120049 343260778 /nfs/dbraw/zinc/26/07/78/343260778.db2.gz YYOMHXOMDQLFLS-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1nc(-c2ccc(=O)[nH]c2)cs1 44121111 343260783 /nfs/dbraw/zinc/26/07/83/343260783.db2.gz KEFSMCFHPPNFFV-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1nc(-c2cncc(=O)[nH]2)cs1 44120266 343260911 /nfs/dbraw/zinc/26/09/11/343260911.db2.gz MHXSDSRRVJTVIA-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN CC(C)c1cncc(N)n1 44119908 343260935 /nfs/dbraw/zinc/26/09/35/343260935.db2.gz GOCCGYUXSRIIET-UHFFFAOYSA-N 0 0 137.186 1.182 10 0 ADAERN Cc1cc(=O)[nH]c(-c2ccoc2)n1 44119460 343260993 /nfs/dbraw/zinc/26/09/93/343260993.db2.gz HDZFOHAUPMJYHS-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN C[C@H](O)c1[nH]c(N)nc1C(F)(F)F 44137460 343261240 /nfs/dbraw/zinc/26/12/40/343261240.db2.gz YTARLTAYRCGLOA-REOHCLBHSA-N 0 0 195.144 1.064 10 0 ADAERN CC[C@@H]1C[C@H](NC(C)=O)CCO1 44137314 343261273 /nfs/dbraw/zinc/26/12/73/343261273.db2.gz RZIQQQGDBLABKM-RKDXNWHRSA-N 0 0 171.240 1.080 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@@H]2CCCC[C@H]2[NH2+]1 44138580 343261276 /nfs/dbraw/zinc/26/12/76/343261276.db2.gz WBAFZRWAQJBNFG-QXFUBDJGSA-N 0 0 183.251 1.382 10 0 ADAERN Cc1nc(N)[nH]c1C(=O)C(F)(F)F 44137442 343261294 /nfs/dbraw/zinc/26/12/94/343261294.db2.gz VLIQZYBIXJIVBV-UHFFFAOYSA-N 0 0 193.128 1.045 10 0 ADAERN CC(C)Nc1nc(O)cs1 44176262 343261311 /nfs/dbraw/zinc/26/13/11/343261311.db2.gz OCFLJDCVEBKBKU-UHFFFAOYSA-N 0 0 158.226 1.669 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@H]2CCCC[C@H]2[NH2+]1 44138583 343261340 /nfs/dbraw/zinc/26/13/40/343261340.db2.gz WBAFZRWAQJBNFG-NQMVMOMDSA-N 0 0 183.251 1.382 10 0 ADAERN CCNc1nc(O)cs1 44176288 343261490 /nfs/dbraw/zinc/26/14/90/343261490.db2.gz LIOKXHWCXIQADB-UHFFFAOYSA-N 0 0 144.199 1.281 10 0 ADAERN Cc1cc(C)n(CC[C@H](C)O)n1 44181156 343261707 /nfs/dbraw/zinc/26/17/07/343261707.db2.gz XRFYXSYUOKXHST-VIFPVBQESA-N 0 0 168.240 1.271 10 0 ADAERN O[C@H]1CCCCCC[C@@H]1n1cncn1 44183502 343261719 /nfs/dbraw/zinc/26/17/19/343261719.db2.gz DNWPJTFMLQXVBC-UWVGGRQHSA-N 0 0 195.266 1.534 10 0 ADAERN CC[C@H](O)[C@H](C)n1cccn1 44182721 343261722 /nfs/dbraw/zinc/26/17/22/343261722.db2.gz TUEQKKIUGWYVKS-YUMQZZPRSA-N 0 0 154.213 1.215 10 0 ADAERN CC(C)c1nccn1[C@H](C)[C@@H](C)O 44184788 343261728 /nfs/dbraw/zinc/26/17/28/343261728.db2.gz VUQBSZDUDWAAIO-RKDXNWHRSA-N 0 0 182.267 1.948 10 0 ADAERN Cc1cc(C)n([C@@H](C)[C@H](C)O)n1 44181186 343261736 /nfs/dbraw/zinc/26/17/36/343261736.db2.gz QSZQNOVVHPSBDJ-IUCAKERBSA-N 0 0 168.240 1.442 10 0 ADAERN C[C@H](O)CCN1CCCCCC1=O 44184113 343261740 /nfs/dbraw/zinc/26/17/40/343261740.db2.gz ZBHIMSINONMZQV-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN CC(C)(C)[C@@H](O)Cn1ccccc1=O 44182431 343261745 /nfs/dbraw/zinc/26/17/45/343261745.db2.gz LWNIJCHTEGKAQS-VIFPVBQESA-N 0 0 195.262 1.255 10 0 ADAERN Cc1cc(C)n([C@H](C)[C@@H](C)O)n1 44181184 343261751 /nfs/dbraw/zinc/26/17/51/343261751.db2.gz QSZQNOVVHPSBDJ-RKDXNWHRSA-N 0 0 168.240 1.442 10 0 ADAERN C[C@@H](O)CCN1CCCCCCC1=O 44183606 343261753 /nfs/dbraw/zinc/26/17/53/343261753.db2.gz BRWYHQRSSJGYEJ-SNVBAGLBSA-N 0 0 199.294 1.550 10 0 ADAERN Cc1nccn1[C@@H](C)[C@@H](C)O 44180876 343261755 /nfs/dbraw/zinc/26/17/55/343261755.db2.gz SBHLUTLEJMZQEU-NKWVEPMBSA-N 0 0 154.213 1.133 10 0 ADAERN COc1cc(O)cc2cc[nH]c12 44184743 343261758 /nfs/dbraw/zinc/26/17/58/343261758.db2.gz LLTKJHRWDANSHY-UHFFFAOYSA-N 0 0 163.176 1.882 10 0 ADAERN CC[C@@H](O)[C@H](C)n1cccn1 44182724 343261763 /nfs/dbraw/zinc/26/17/63/343261763.db2.gz TUEQKKIUGWYVKS-JGVFFNPUSA-N 0 0 154.213 1.215 10 0 ADAERN Cc1nccn1C[C@H](O)C(C)(C)C 44181086 343261765 /nfs/dbraw/zinc/26/17/65/343261765.db2.gz SRGUKDCBVXZLDV-VIFPVBQESA-N 0 0 182.267 1.599 10 0 ADAERN Cc1cc(C)n([C@H](C)[C@H](C)O)n1 44181188 343261773 /nfs/dbraw/zinc/26/17/73/343261773.db2.gz QSZQNOVVHPSBDJ-BDAKNGLRSA-N 0 0 168.240 1.442 10 0 ADAERN Cc1nccn1[C@H](C)[C@H](C)O 44180882 343261775 /nfs/dbraw/zinc/26/17/75/343261775.db2.gz SBHLUTLEJMZQEU-RQJHMYQMSA-N 0 0 154.213 1.133 10 0 ADAERN O[C@H]1CCCCCC[C@H]1n1cncn1 44183499 343261778 /nfs/dbraw/zinc/26/17/78/343261778.db2.gz DNWPJTFMLQXVBC-ZJUUUORDSA-N 0 0 195.266 1.534 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1nc(C)cc1C 44181255 343261779 /nfs/dbraw/zinc/26/17/79/343261779.db2.gz MBTUISIYFATIPZ-NXEZZACHSA-N 0 0 182.267 1.832 10 0 ADAERN O[C@@H]1CCCCC[C@H]1n1ccnc1 44180665 343261781 /nfs/dbraw/zinc/26/17/81/343261781.db2.gz VCNXVNBWXCZPBU-NXEZZACHSA-N 0 0 180.251 1.749 10 0 ADAERN Cc1nccn1[C@@H]1C[C@H](C)CC[C@@H]1O 44181066 343261792 /nfs/dbraw/zinc/26/17/92/343261792.db2.gz BBBKASRCJKVACZ-IEBDPFPHSA-N 0 0 194.278 1.914 10 0 ADAERN CC[C@H](O)[C@@H](C)n1cccn1 44182714 343261798 /nfs/dbraw/zinc/26/17/98/343261798.db2.gz TUEQKKIUGWYVKS-SFYZADRCSA-N 0 0 154.213 1.215 10 0 ADAERN CC(C)(C)[C@H](O)Cn1ccccc1=O 44182428 343261807 /nfs/dbraw/zinc/26/18/07/343261807.db2.gz LWNIJCHTEGKAQS-SECBINFHSA-N 0 0 195.262 1.255 10 0 ADAERN CC[C@H](O)[C@@H](C)n1nc(C)cc1C 44181253 343261826 /nfs/dbraw/zinc/26/18/26/343261826.db2.gz MBTUISIYFATIPZ-ZJUUUORDSA-N 0 0 182.267 1.832 10 0 ADAERN C[C@H](O)COC1CCCC1 44191341 343261930 /nfs/dbraw/zinc/26/19/30/343261930.db2.gz LREADFXFOJUVSS-ZETCQYMHSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@H](O)[C@H](C)Oc1ccccc1F 44197507 343261941 /nfs/dbraw/zinc/26/19/41/343261941.db2.gz CWHVRYKCXKUFCA-YUMQZZPRSA-N 0 0 184.210 1.974 10 0 ADAERN Cc1cccc(C)c1[C@@H]([NH3+])CC(=O)[O-] 44197173 343261978 /nfs/dbraw/zinc/26/19/78/343261978.db2.gz HMNDOBLCGKUCFD-VIFPVBQESA-N 0 0 193.246 1.778 10 0 ADAERN Cc1cnn(C[C@@H](O)C(C)(C)C)c1 44186680 343262003 /nfs/dbraw/zinc/26/20/03/343262003.db2.gz IPXJKUNDNZBPOU-SECBINFHSA-N 0 0 182.267 1.599 10 0 ADAERN CO[C@@H]1C[C@@H](C)CC[C@H]1O 44192855 343262005 /nfs/dbraw/zinc/26/20/05/343262005.db2.gz MJFODDFQZPOTGC-XLPZGREQSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@H](OC)C1 44192689 343262028 /nfs/dbraw/zinc/26/20/28/343262028.db2.gz BTTPIFNKUNMQDM-HRDYMLBCSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1nccc2c(C=O)c[nH]c12 44185360 343262058 /nfs/dbraw/zinc/26/20/58/343262058.db2.gz STEZYBAYTZXURM-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN Cc1cnn(C[C@H](O)C(C)(C)C)c1 44186678 343262074 /nfs/dbraw/zinc/26/20/74/343262074.db2.gz IPXJKUNDNZBPOU-VIFPVBQESA-N 0 0 182.267 1.599 10 0 ADAERN CO[C@@H]1C[C@H](C)CC[C@H]1O 44192852 343262102 /nfs/dbraw/zinc/26/21/02/343262102.db2.gz MJFODDFQZPOTGC-BWZBUEFSSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1cnn([C@@H](C)[C@H](C)O)c1 44186444 343262104 /nfs/dbraw/zinc/26/21/04/343262104.db2.gz ORNKSFHJMVMKEI-YUMQZZPRSA-N 0 0 154.213 1.133 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1ccccc1F 44197505 343262111 /nfs/dbraw/zinc/26/21/11/343262111.db2.gz CWHVRYKCXKUFCA-HTQZYQBOSA-N 0 0 184.210 1.974 10 0 ADAERN CC[C@@H](O)[C@H](C)n1nc(C)nc1C 44188743 343262114 /nfs/dbraw/zinc/26/21/14/343262114.db2.gz AAPQQTVJTCMDRU-IMTBSYHQSA-N 0 0 183.255 1.227 10 0 ADAERN CC[C@H](O)[C@@H](C)n1nc(C)nc1C 44188734 343262128 /nfs/dbraw/zinc/26/21/28/343262128.db2.gz AAPQQTVJTCMDRU-MUWHJKNJSA-N 0 0 183.255 1.227 10 0 ADAERN CC[C@@H](O)[C@H](C)n1cc(C)cn1 44186540 343262133 /nfs/dbraw/zinc/26/21/33/343262133.db2.gz FCILYXYBFIQLBW-DTWKUNHWSA-N 0 0 168.240 1.523 10 0 ADAERN CC[C@H](O)[C@@H](C)n1cc(C)cn1 44186533 343262144 /nfs/dbraw/zinc/26/21/44/343262144.db2.gz FCILYXYBFIQLBW-BDAKNGLRSA-N 0 0 168.240 1.523 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@H](OC)C1 44192695 343262145 /nfs/dbraw/zinc/26/21/45/343262145.db2.gz BTTPIFNKUNMQDM-IWSPIJDZSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@H](O)[C@H](C)n1nc(C)nc1C 44188740 343262154 /nfs/dbraw/zinc/26/21/54/343262154.db2.gz AAPQQTVJTCMDRU-RCOVLWMOSA-N 0 0 183.255 1.227 10 0 ADAERN Cc1cnn([C@H](C)[C@H](C)O)c1 44186446 343262160 /nfs/dbraw/zinc/26/21/60/343262160.db2.gz ORNKSFHJMVMKEI-SFYZADRCSA-N 0 0 154.213 1.133 10 0 ADAERN C[C@H](Oc1ccccc1F)[C@@H](C)O 44197509 343262171 /nfs/dbraw/zinc/26/21/71/343262171.db2.gz CWHVRYKCXKUFCA-SFYZADRCSA-N 0 0 184.210 1.974 10 0 ADAERN Cc1cnn([C@@H](C)[C@@H](C)O)c1 44186440 343262192 /nfs/dbraw/zinc/26/21/92/343262192.db2.gz ORNKSFHJMVMKEI-JGVFFNPUSA-N 0 0 154.213 1.133 10 0 ADAERN Cc1cc(C)c(CO)[nH]1 44198677 343262210 /nfs/dbraw/zinc/26/22/10/343262210.db2.gz SFYWURPKGZASRR-UHFFFAOYSA-N 0 0 125.171 1.124 10 0 ADAERN CCOC(=O)c1cc2cc[nH]cc-2n1 44185559 343262221 /nfs/dbraw/zinc/26/22/21/343262221.db2.gz OVRRQXXHIPHXNZ-UHFFFAOYSA-N 0 0 190.202 1.691 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1nc(C)nc1C 44188737 343262227 /nfs/dbraw/zinc/26/22/27/343262227.db2.gz AAPQQTVJTCMDRU-HZGVNTEJSA-N 0 0 183.255 1.227 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]([NH3+])c1cccs1 44196304 343262229 /nfs/dbraw/zinc/26/22/29/343262229.db2.gz JAGKBUGHTNBALR-FSPLSTOPSA-N 0 0 185.248 1.469 10 0 ADAERN CC[C@H](O)[C@H](C)n1cc(C)cn1 44186538 343262233 /nfs/dbraw/zinc/26/22/33/343262233.db2.gz FCILYXYBFIQLBW-IUCAKERBSA-N 0 0 168.240 1.523 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccccc1F 44197503 343262234 /nfs/dbraw/zinc/26/22/34/343262234.db2.gz CWHVRYKCXKUFCA-JGVFFNPUSA-N 0 0 184.210 1.974 10 0 ADAERN Cc1nc(C)n(C[C@@H](O)C(C)(C)C)n1 44188945 343262236 /nfs/dbraw/zinc/26/22/36/343262236.db2.gz KKNWMDWCZKIFAL-SECBINFHSA-N 0 0 197.282 1.302 10 0 ADAERN C[C@H](O)[C@H](C)Oc1cccc(F)c1 44213552 343262283 /nfs/dbraw/zinc/26/22/83/343262283.db2.gz ZULGXXCNVFLICS-YUMQZZPRSA-N 0 0 184.210 1.974 10 0 ADAERN C[C@H]1CCC[C@@H](OC[C@@H](C)O)C1 44230595 343262292 /nfs/dbraw/zinc/26/22/92/343262292.db2.gz UGRCKGWXTRUKSG-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CCC(C)(C)O[C@H]1COCC[C@H]1O 44228488 343262301 /nfs/dbraw/zinc/26/23/01/343262301.db2.gz UASXEUGDQOHTRU-BDAKNGLRSA-N 0 0 188.267 1.341 10 0 ADAERN C[C@H](OC(C)(C)C)[C@@H](C)O 44226448 343262314 /nfs/dbraw/zinc/26/23/14/343262314.db2.gz IHPLUBLGATVLLB-RQJHMYQMSA-N 0 0 146.230 1.571 10 0 ADAERN C[C@H](O)[C@@H](C)OCC1CC1 44231721 343262331 /nfs/dbraw/zinc/26/23/31/343262331.db2.gz FAXQJTZQEJONLO-NKWVEPMBSA-N 0 0 144.214 1.182 10 0 ADAERN C[C@H](O)[C@H](C)OC(C)(C)C 44226443 343262336 /nfs/dbraw/zinc/26/23/36/343262336.db2.gz IHPLUBLGATVLLB-BQBZGAKWSA-N 0 0 146.230 1.571 10 0 ADAERN CCC(C)(C)O[C@H]1COCC[C@@H]1O 44228480 343262346 /nfs/dbraw/zinc/26/23/46/343262346.db2.gz UASXEUGDQOHTRU-IUCAKERBSA-N 0 0 188.267 1.341 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1cccc(F)c1 44213544 343262363 /nfs/dbraw/zinc/26/23/63/343262363.db2.gz ZULGXXCNVFLICS-JGVFFNPUSA-N 0 0 184.210 1.974 10 0 ADAERN C[C@H]1CCCC[C@@H]1OC[C@@H](C)O 44217634 343262368 /nfs/dbraw/zinc/26/23/68/343262368.db2.gz RHMCTQLIDKMBED-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](O)[C@H](C)OCC1CC1 44231729 343262388 /nfs/dbraw/zinc/26/23/88/343262388.db2.gz FAXQJTZQEJONLO-BQBZGAKWSA-N 0 0 144.214 1.182 10 0 ADAERN CCCCc1nc(C(=O)OC)c[nH]1 44199961 343262389 /nfs/dbraw/zinc/26/23/89/343262389.db2.gz PBZULJMXQGZKFO-UHFFFAOYSA-N 0 0 182.223 1.539 10 0 ADAERN Oc1ccc(C2OCCO2)cc1F 44227939 343262393 /nfs/dbraw/zinc/26/23/93/343262393.db2.gz OKCUAEOZVYLCCZ-UHFFFAOYSA-N 0 0 184.166 1.577 10 0 ADAERN C[C@H](O)[C@H](C)Oc1ccc(F)cc1 44212454 343262405 /nfs/dbraw/zinc/26/24/05/343262405.db2.gz ARZOIFAPWWLRKA-YUMQZZPRSA-N 0 0 184.210 1.974 10 0 ADAERN Cc1cc(F)ccc1[C@@H]([NH3+])CC(=O)[O-] 44215880 343262434 /nfs/dbraw/zinc/26/24/34/343262434.db2.gz XTBLYKFKSQGQSY-VIFPVBQESA-N 0 0 197.209 1.609 10 0 ADAERN CCC(C)(C)O[C@@H]1COCC[C@@H]1O 44228476 343262447 /nfs/dbraw/zinc/26/24/47/343262447.db2.gz UASXEUGDQOHTRU-DTWKUNHWSA-N 0 0 188.267 1.341 10 0 ADAERN O[C@@H]1CCC[C@@H]1OC[C@@H]1CCCO1 44216290 343262459 /nfs/dbraw/zinc/26/24/59/343262459.db2.gz LVESPQNHHNMQQG-AEJSXWLSSA-N 0 0 186.251 1.095 10 0 ADAERN C[C@@H](O)[C@@H](C)OC(C)(C)C 44226438 343262465 /nfs/dbraw/zinc/26/24/65/343262465.db2.gz IHPLUBLGATVLLB-RNFRBKRXSA-N 0 0 146.230 1.571 10 0 ADAERN C[C@H]1CCC[C@H](OC[C@@H](C)O)C1 44230587 343262483 /nfs/dbraw/zinc/26/24/83/343262483.db2.gz UGRCKGWXTRUKSG-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](Oc1ccc(F)cc1)[C@@H](C)O 44212457 343262490 /nfs/dbraw/zinc/26/24/90/343262490.db2.gz ARZOIFAPWWLRKA-SFYZADRCSA-N 0 0 184.210 1.974 10 0 ADAERN C[C@H](O)[C@@H](C)Oc1ccc(F)cc1 44212449 343262499 /nfs/dbraw/zinc/26/24/99/343262499.db2.gz ARZOIFAPWWLRKA-JGVFFNPUSA-N 0 0 184.210 1.974 10 0 ADAERN C[C@H](O)[C@@H](C)OC(C)(C)C 44226433 343262505 /nfs/dbraw/zinc/26/25/05/343262505.db2.gz IHPLUBLGATVLLB-NKWVEPMBSA-N 0 0 146.230 1.571 10 0 ADAERN C[C@H]1CCC[C@@H](OCCO)C1 44230495 343262514 /nfs/dbraw/zinc/26/25/14/343262514.db2.gz YVUYYOKYSMSVPS-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN O[C@@H]1CCC[C@H]1OC[C@@H]1CCCO1 44216282 343262523 /nfs/dbraw/zinc/26/25/23/343262523.db2.gz LVESPQNHHNMQQG-IVZWLZJFSA-N 0 0 186.251 1.095 10 0 ADAERN CCC(C)(C)O[C@@H]1COCC[C@H]1O 44228484 343262526 /nfs/dbraw/zinc/26/25/26/343262526.db2.gz UASXEUGDQOHTRU-RKDXNWHRSA-N 0 0 188.267 1.341 10 0 ADAERN Cc1ccc([C@@H]([NH3+])CC(=O)[O-])c(F)c1 44219069 343262538 /nfs/dbraw/zinc/26/25/38/343262538.db2.gz WDGZSRPKUGTODA-VIFPVBQESA-N 0 0 197.209 1.609 10 0 ADAERN C[C@H](Oc1cccc(F)c1)[C@@H](C)O 44213557 343262554 /nfs/dbraw/zinc/26/25/54/343262554.db2.gz ZULGXXCNVFLICS-SFYZADRCSA-N 0 0 184.210 1.974 10 0 ADAERN CCC(C)(C)OC[C@H](C)O 44228615 343262556 /nfs/dbraw/zinc/26/25/56/343262556.db2.gz HEOZHCZUAKKCFK-ZETCQYMHSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H]1CCCC[C@H]1OC[C@@H](C)O 44217640 343262563 /nfs/dbraw/zinc/26/25/63/343262563.db2.gz RHMCTQLIDKMBED-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CCCN(C)C1N=NC(=S)S1 44241813 343262633 /nfs/dbraw/zinc/26/26/33/343262633.db2.gz BVUXJIVFJNPZLF-UHFFFAOYSA-N 0 0 189.309 1.673 10 0 ADAERN CC(C)OC(=O)Nc1cc[nH]n1 44240550 343262650 /nfs/dbraw/zinc/26/26/50/343262650.db2.gz DXXXRSHPTOSMDG-UHFFFAOYSA-N 0 0 169.184 1.367 10 0 ADAERN CN(C1CC1)C1N=NC(=S)S1 44241774 343262814 /nfs/dbraw/zinc/26/28/14/343262814.db2.gz GBTFHCOZLXCUIU-UHFFFAOYSA-N 0 0 187.293 1.425 10 0 ADAERN CC(C)N(C)C1N=NC(=S)S1 44241660 343262857 /nfs/dbraw/zinc/26/28/57/343262857.db2.gz NQKNVAVXKMWCGH-UHFFFAOYSA-N 0 0 189.309 1.671 10 0 ADAERN CCc1ccc([C@@H]2CC(=O)N2)o1 44256693 343263077 /nfs/dbraw/zinc/26/30/77/343263077.db2.gz NMPMREPPPJUBHR-ZETCQYMHSA-N 0 0 165.192 1.403 10 0 ADAERN Cc1cc(/C=C\C(N)=O)ccc1F 44260325 343263090 /nfs/dbraw/zinc/26/30/90/343263090.db2.gz FMYJFTPDIOAHGL-HYXAFXHYSA-N 0 0 179.194 1.633 10 0 ADAERN CCc1nc(N)cc(C(C)C)n1 44262583 343263092 /nfs/dbraw/zinc/26/30/92/343263092.db2.gz PZBTZNCXADXLHE-UHFFFAOYSA-N 0 0 165.240 1.745 10 0 ADAERN Cc1cc([C@@H]2CC(=O)N2)ccc1F 44257081 343263100 /nfs/dbraw/zinc/26/31/00/343263100.db2.gz FUANUUBUGGCOJK-VIFPVBQESA-N 0 0 179.194 1.695 10 0 ADAERN C[C@H]1NC(=O)[C@H]1c1ccccc1 44256861 343263157 /nfs/dbraw/zinc/26/31/57/343263157.db2.gz FSWXDADMAWBTEN-VXNVDRBHSA-N 0 0 161.204 1.289 10 0 ADAERN Cc1cc([C@H]2CC(=O)N2)ccc1F 44257085 343263165 /nfs/dbraw/zinc/26/31/65/343263165.db2.gz FUANUUBUGGCOJK-SECBINFHSA-N 0 0 179.194 1.695 10 0 ADAERN C[C@H]1NC(=O)[C@@H]1c1ccccc1 44256869 343263196 /nfs/dbraw/zinc/26/31/96/343263196.db2.gz FSWXDADMAWBTEN-APPZFPTMSA-N 0 0 161.204 1.289 10 0 ADAERN Cc1nc(N)cc(-c2ccoc2C)n1 44262522 343263279 /nfs/dbraw/zinc/26/32/79/343263279.db2.gz JIFLMZFWEMRPLZ-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CCc1ccc(/C=C/C(N)=O)o1 44258956 343263287 /nfs/dbraw/zinc/26/32/87/343263287.db2.gz ZOAAWSDFUGTHKM-AATRIKPKSA-N 0 0 165.192 1.341 10 0 ADAERN Cc1cc(CCO)cc2c[nH]nc12 44381149 343264510 /nfs/dbraw/zinc/26/45/10/343264510.db2.gz GFWRDHXXSRYGSS-UHFFFAOYSA-N 0 0 176.219 1.406 10 0 ADAERN Cc1nc([C@@H](N)C(C)(C)C)no1 44376433 343264656 /nfs/dbraw/zinc/26/46/56/343264656.db2.gz NWZVHJNMRCPPGH-ZCFIWIBFSA-N 0 0 169.228 1.424 10 0 ADAERN Cc1cc(C)c(CCCO)[nH]1 44383444 343264672 /nfs/dbraw/zinc/26/46/72/343264672.db2.gz CBPNHSGXSJLPQB-UHFFFAOYSA-N 0 0 153.225 1.556 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccc(O)cc1 44396319 343264730 /nfs/dbraw/zinc/26/47/30/343264730.db2.gz GQCOWMCRRVGKGS-IMTBSYHQSA-N 0 0 195.218 1.113 10 0 ADAERN Cc1nc([C@H](N)C(C)(C)C)no1 44376429 343264771 /nfs/dbraw/zinc/26/47/71/343264771.db2.gz NWZVHJNMRCPPGH-LURJTMIESA-N 0 0 169.228 1.424 10 0 ADAERN Cc1cc(=O)[nH]c(CCC(C)C)n1 44419176 343265337 /nfs/dbraw/zinc/26/53/37/343265337.db2.gz WFVOLXNANSRIHD-UHFFFAOYSA-N 0 0 180.251 1.667 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1CCCC[C@H]1C 44415278 343265528 /nfs/dbraw/zinc/26/55/28/343265528.db2.gz ZGBYDMRALRRGHO-UTLUCORTSA-N 0 0 199.294 1.970 10 0 ADAERN O=C1CCN(CC[C@@H]2CCCO2)CC1 44510293 343266937 /nfs/dbraw/zinc/26/69/37/343266937.db2.gz PMFYCTDARRUWBO-NSHDSACASA-N 0 0 197.278 1.220 10 0 ADAERN CCn1cc(-c2csc(=O)[nH]2)cn1 44496766 343267218 /nfs/dbraw/zinc/26/72/18/343267218.db2.gz QPRALXJASBDQMN-UHFFFAOYSA-N 0 0 195.247 1.320 10 0 ADAERN O=C1CCN(CC[C@H]2CCCO2)CC1 44510292 343267248 /nfs/dbraw/zinc/26/72/48/343267248.db2.gz PMFYCTDARRUWBO-LLVKDONJSA-N 0 0 197.278 1.220 10 0 ADAERN c1ccc(CN=Nc2cnccn2)cc1 44550293 343267626 /nfs/dbraw/zinc/26/76/26/343267626.db2.gz NLVNIGTVVXWOCR-RIYZIHGNSA-N 0 0 198.229 1.923 10 0 ADAERN O=[N+]([O-])/C(=C/c1ccccc1)CO 44547606 343267665 /nfs/dbraw/zinc/26/76/65/343267665.db2.gz KMBICUOTOWQGIN-RMKNXTFCSA-N 0 0 179.175 1.297 10 0 ADAERN CC[C@@H](O)c1cccc(C)n1 44709738 343267921 /nfs/dbraw/zinc/26/79/21/343267921.db2.gz PQGLRECMDMHWLA-SECBINFHSA-N 0 0 151.209 1.833 10 0 ADAERN O=c1ccc2cc(CO)ccc2[nH]1 44699986 343267923 /nfs/dbraw/zinc/26/79/23/343267923.db2.gz ZQNLOGHFFDZIDN-UHFFFAOYSA-N 0 0 175.187 1.020 10 0 ADAERN Cc1cc(Cl)c2c(n1)NC(=O)C2 44700208 343267939 /nfs/dbraw/zinc/26/79/39/343267939.db2.gz WVQPNTOUQCWYFI-UHFFFAOYSA-N 0 0 182.610 1.538 10 0 in-vitro ADAERN COc1cc(C)c(N)c(OC)c1 44699974 343267946 /nfs/dbraw/zinc/26/79/46/343267946.db2.gz VKEYDEMQZZZVFK-UHFFFAOYSA-N 0 0 167.208 1.594 10 0 ADAERN O=Cc1cnc2c(F)c[nH]cc1-2 44700056 343267988 /nfs/dbraw/zinc/26/79/88/343267988.db2.gz QFFWDKRWRBXGMK-UHFFFAOYSA-N 0 0 164.139 1.515 10 0 ADAERN Cc1c(O)cnc2[nH]cc(C=O)c12 44712657 343268010 /nfs/dbraw/zinc/26/80/10/343268010.db2.gz BROODWZMMHKVDA-UHFFFAOYSA-N 0 0 176.175 1.389 10 0 ADAERN COc1cnc2[nH]cc(C=O)c2c1C 44712662 343268044 /nfs/dbraw/zinc/26/80/44/343268044.db2.gz CFZGOBWINPJHMU-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN Cc1cc(F)c2c(n1)NC(=O)C2 44700210 343268105 /nfs/dbraw/zinc/26/81/05/343268105.db2.gz AZVWMOUDNZKEER-UHFFFAOYSA-N 0 0 166.155 1.024 10 0 ADAERN O=Cc1c[nH]c2c(F)nccc12 44700151 343268113 /nfs/dbraw/zinc/26/81/13/343268113.db2.gz BBNSIKSZGNIPHC-UHFFFAOYSA-N 0 0 164.139 1.515 10 0 ADAERN Cc1cc(O)cc2sc(=O)[nH]c12 44712744 343268374 /nfs/dbraw/zinc/26/83/74/343268374.db2.gz GJWZRNDOYJNQFF-UHFFFAOYSA-N 0 0 181.216 1.604 10 0 ADAERN Oc1cnc2c(Cl)c[nH]c2c1 44712961 343268224 /nfs/dbraw/zinc/26/82/24/343268224.db2.gz JEGKMXTZIDRFNF-UHFFFAOYSA-N 0 0 168.583 1.922 10 0 ADAERN Cc1cc2ncc(N)cc2[nH]1 44712980 343268244 /nfs/dbraw/zinc/26/82/44/343268244.db2.gz VGUPYAONLUZLPX-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN Fc1cc(F)c2cc[nH]c2n1 44712819 343268254 /nfs/dbraw/zinc/26/82/54/343268254.db2.gz LCEPIOOFFZSNRO-UHFFFAOYSA-N 0 0 154.119 1.841 10 0 ADAERN COC(=O)c1c[nH]c2cncc(F)c12 44712907 343268268 /nfs/dbraw/zinc/26/82/68/343268268.db2.gz DEJYQJPKHRIYLB-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN Cc1ccnc2c(N)c[nH]c12 44713008 343268276 /nfs/dbraw/zinc/26/82/76/343268276.db2.gz KCTHFIWDCMFYLK-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 in-vitro ADAERN O=c1cc[nH]c2c(Cl)c[nH]c12 44712994 343268299 /nfs/dbraw/zinc/26/82/99/343268299.db2.gz MFESVFMNEQKKRL-UHFFFAOYSA-N 0 0 168.583 1.510 10 0 ADAERN COc1cnc2[nH]cc(N)c2c1 44712757 343268343 /nfs/dbraw/zinc/26/83/43/343268343.db2.gz NHHBWDVLZBXAHT-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN Nc1ccc2[nH]cc(Cl)c2n1 44712902 343268361 /nfs/dbraw/zinc/26/83/61/343268361.db2.gz QZCUXLJMNWKSAC-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Cc1cc2ncc(O)cc2[nH]1 44712963 343268406 /nfs/dbraw/zinc/26/84/06/343268406.db2.gz HZLASSGSEVXPCE-UHFFFAOYSA-N 0 0 148.165 1.577 10 0 ADAERN COc1nccc2c(N)c[nH]c12 44713169 343268524 /nfs/dbraw/zinc/26/85/24/343268524.db2.gz VSZRJXQJWPRZTN-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN Cc1cncc2[nH]cc(C=O)c12 44713221 343268553 /nfs/dbraw/zinc/26/85/53/343268553.db2.gz CLIXSTVUBLRQOY-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN Cc1nccc2c(N)c[nH]c12 44713160 343268557 /nfs/dbraw/zinc/26/85/57/343268557.db2.gz GBRBKCWGORHVGT-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN Nc1nc2c(N)cc(F)cc2s1 44713333 343268575 /nfs/dbraw/zinc/26/85/75/343268575.db2.gz XSYUDBGJOLULRU-UHFFFAOYSA-N 0 0 183.211 1.600 10 0 ADAERN Nc1ccnc2c(Cl)c[nH]c12 44713051 343268602 /nfs/dbraw/zinc/26/86/02/343268602.db2.gz NBGNSRDAOOIGJS-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Nc1c[nH]c2cc(Cl)ncc12 44713141 343268613 /nfs/dbraw/zinc/26/86/13/343268613.db2.gz DPLYQVGPHWROMB-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Cc1cncc2[nH]cc(N)c12 44713220 343268638 /nfs/dbraw/zinc/26/86/38/343268638.db2.gz NSUCHJZBETZZKU-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN Cc1cc(Cl)[nH]c2cc(=O)[nH]c1-2 44713279 343268640 /nfs/dbraw/zinc/26/86/40/343268640.db2.gz DCECZADLCPJBCI-UHFFFAOYSA-N 0 0 182.610 1.538 10 0 ADAERN Nc1c[nH]c2cnc(Cl)cc12 44713270 343268655 /nfs/dbraw/zinc/26/86/55/343268655.db2.gz VIFNICDGFWEPFJ-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Nc1c[nH]c2ccnc(Cl)c12 44713143 343268660 /nfs/dbraw/zinc/26/86/60/343268660.db2.gz AQQYZVBSUPFRQC-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Nc1c[nH]c2cncc(F)c12 44713058 343268689 /nfs/dbraw/zinc/26/86/89/343268689.db2.gz OYFGXDQVJDRIFJ-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Nc1c[nH]c2cc(F)ncc12 44713116 343268692 /nfs/dbraw/zinc/26/86/92/343268692.db2.gz BREGIRIFLCIBJE-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Cc1cc2c(=O)[nH]ccc2[nH]1 44713097 343268700 /nfs/dbraw/zinc/26/87/00/343268700.db2.gz YFGZWIDRAIDWEU-UHFFFAOYSA-N 0 0 148.165 1.165 10 0 ADAERN COc1nccc2[nH]cc(N)c12 44713092 343268740 /nfs/dbraw/zinc/26/87/40/343268740.db2.gz JZGZGMAJPOQZJM-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN Cc1c[nH]c2cc(=O)[nH]c-2c1C 44713225 343268713 /nfs/dbraw/zinc/26/87/13/343268713.db2.gz GYPOPSAHRYDJPE-UHFFFAOYSA-N 0 0 162.192 1.193 10 0 ADAERN Nc1cc(O)cc2scnc12 44713379 343268854 /nfs/dbraw/zinc/26/88/54/343268854.db2.gz KRHHLUPAEWWLRV-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN Nc1c[nH]c2c(F)nccc12 44713403 343268875 /nfs/dbraw/zinc/26/88/75/343268875.db2.gz REAQZOILWPFYPT-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN COc1cnc2[nH]ccc2c1N 44713371 343268909 /nfs/dbraw/zinc/26/89/09/343268909.db2.gz ILFMPRCSQPJDFD-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 in-vitro ADAERN COc1cc(F)c2cc[nH]c2n1 44713349 343268990 /nfs/dbraw/zinc/26/89/90/343268990.db2.gz WPXOSPLQDHLVRF-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN Cc1c(N)cnc2cc[nH]c12 44713406 343269024 /nfs/dbraw/zinc/26/90/24/343269024.db2.gz PEWXKKSKCBPCGX-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN Cc1ccc(-c2cnnc(=O)[nH]2)cc1 44804377 343269249 /nfs/dbraw/zinc/26/92/49/343269249.db2.gz AJEPRWCZQTVDFN-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN C[C@H](N)c1nnc(C(F)F)o1 50284322 343281097 /nfs/dbraw/zinc/28/10/97/343281097.db2.gz ZNEJIXJVCXRNSC-REOHCLBHSA-N 0 0 163.127 1.027 10 0 ADAERN c1ccc(-c2nnc3cnccn23)cc1 44857509 343270187 /nfs/dbraw/zinc/27/01/87/343270187.db2.gz QMCVZELPVJXRER-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN C[C@H](O)CCOC1CCC1 50521365 343283443 /nfs/dbraw/zinc/28/34/43/343283443.db2.gz HBMXVRWIMOWLEX-ZETCQYMHSA-N 0 0 144.214 1.326 10 0 ADAERN CC1(NC(N)=S)CCCCC1 45046264 343270450 /nfs/dbraw/zinc/27/04/50/343270450.db2.gz JAVLZKCFFTZCKR-UHFFFAOYSA-N 0 0 172.297 1.542 10 0 ADAERN Cc1cc(N[C@@H]2CC2(C)C)ncn1 45135605 343271221 /nfs/dbraw/zinc/27/12/21/343271221.db2.gz OTTLNTNJZRQHIZ-MRVPVSSYSA-N 0 0 177.251 1.995 10 0 ADAERN CN(C=O)c1nc2ccccc2s1 45237623 343271578 /nfs/dbraw/zinc/27/15/78/343271578.db2.gz DDBPUFRDOGBXQK-UHFFFAOYSA-N 0 0 192.243 1.889 10 0 ADAERN Cc1cc(CO)c2nc(N)sc2c1 45236955 343271638 /nfs/dbraw/zinc/27/16/38/343271638.db2.gz NDUIWRZPUQSQSB-UHFFFAOYSA-N 0 0 194.259 1.679 10 0 ADAERN Cc1nc2c(N)c(O)ccc2s1 45237137 343271724 /nfs/dbraw/zinc/27/17/24/343271724.db2.gz MRNSXCQOUJKCJR-UHFFFAOYSA-N 0 0 180.232 1.893 10 0 ADAERN Cc1c(O)ccc2sc(N)nc12 45236012 343271737 /nfs/dbraw/zinc/27/17/37/343271737.db2.gz WFBHDCLHFSEQHS-UHFFFAOYSA-N 0 0 180.232 1.893 10 0 ADAERN Cc1ccc2nc(NCO)sc2c1 45237335 343271785 /nfs/dbraw/zinc/27/17/85/343271785.db2.gz JAYLZFDUYBVZAR-UHFFFAOYSA-N 0 0 194.259 1.966 10 0 ADAERN C[C@H](O)c1ccccc1C=O 45793481 343271855 /nfs/dbraw/zinc/27/18/55/343271855.db2.gz KIVKPURPJAORKA-ZETCQYMHSA-N 0 0 150.177 1.552 10 0 ADAERN CCn1cnc2c(O)ccc(O)c21 45238269 343271863 /nfs/dbraw/zinc/27/18/63/343271863.db2.gz SBOCZEAYNWOAJY-UHFFFAOYSA-N 0 0 178.191 1.467 10 0 ADAERN Cc1nn(C(C)(C)C)c(N)c1C 45628361 343271917 /nfs/dbraw/zinc/27/19/17/343271917.db2.gz AXJSQZLMANKOAA-UHFFFAOYSA-N 0 0 167.256 1.837 10 0 ADAERN CCn1cnc2c(N)cccc21 45238270 343271920 /nfs/dbraw/zinc/27/19/20/343271920.db2.gz LTDZWFXBUPOIGU-UHFFFAOYSA-N 0 0 161.208 1.638 10 0 ADAERN Cc1cc2c(nc1C)OCC2 45787073 343271947 /nfs/dbraw/zinc/27/19/47/343271947.db2.gz GQFZGDMGILYCRH-UHFFFAOYSA-N 0 0 149.193 1.633 10 0 ADAERN CCc1nc2c(O)ccc(O)c2[nH]1 45238266 343271954 /nfs/dbraw/zinc/27/19/54/343271954.db2.gz RENCHXTWURNDSF-UHFFFAOYSA-N 0 0 178.191 1.537 10 0 ADAERN Cc1cc2[nH]cnc2cc1CO 45238556 343272014 /nfs/dbraw/zinc/27/20/14/343272014.db2.gz CRRWJCDSJNOVLJ-UHFFFAOYSA-N 0 0 162.192 1.364 10 0 ADAERN CCc1cc(C)cc(C)[n+]1[O-] 45793173 343272034 /nfs/dbraw/zinc/27/20/34/343272034.db2.gz YKEXJZAKUVFAHG-UHFFFAOYSA-N 0 0 151.209 1.499 10 0 ADAERN Cc1cc2c(cc1Cl)=NC(=O)N=2 45238285 343272043 /nfs/dbraw/zinc/27/20/43/343272043.db2.gz YRPBRNDMTFUPRM-UHFFFAOYSA-N 0 0 180.594 1.021 10 0 ADAERN CC1=NC(=O)c2cccn2C1 45793137 343272053 /nfs/dbraw/zinc/27/20/53/343272053.db2.gz JHCZBRURBXJCTO-UHFFFAOYSA-N 0 0 148.165 1.103 10 0 ADAERN Cc1cc2cc(C=O)[nH]c2o1 45793461 343272055 /nfs/dbraw/zinc/27/20/55/343272055.db2.gz HYYKWWAXXFIZHM-UHFFFAOYSA-N 0 0 149.149 1.882 10 0 ADAERN CCc1nc2ccc(N)cc2n1C 45238526 343272063 /nfs/dbraw/zinc/27/20/63/343272063.db2.gz AGRBVLCRWVYMCE-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN CCc1ccc(C)c[n+]1[O-] 45787109 343272139 /nfs/dbraw/zinc/27/21/39/343272139.db2.gz LEISNYDHERLQAG-UHFFFAOYSA-N 0 0 137.182 1.191 10 0 ADAERN CN1C[C@@H]2CCC[C@H]2OC1=O 45809710 343272319 /nfs/dbraw/zinc/27/23/19/343272319.db2.gz QLVLLQSFNLQGHP-NKWVEPMBSA-N 0 0 155.197 1.237 10 0 ADAERN CN(C#N)C(=O)c1ccccc1 45795809 343272426 /nfs/dbraw/zinc/27/24/26/343272426.db2.gz OKBXASTWVGECGC-UHFFFAOYSA-N 0 0 160.176 1.240 10 0 ADAERN Cc1cc(-c2nc3cccnc3[nH]2)n[nH]1 45815020 343272430 /nfs/dbraw/zinc/27/24/30/343272430.db2.gz KZFCUDHJIZYPEC-UHFFFAOYSA-N 0 0 199.217 1.656 10 0 ADAERN Cc1cccc2ncc(=O)[nH]c12 45817446 343272438 /nfs/dbraw/zinc/27/24/38/343272438.db2.gz NZKPWVAKHWJDAX-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN Cc1nc(-c2ncc[nH]2)n(O)c1C 45820703 343272460 /nfs/dbraw/zinc/27/24/60/343272460.db2.gz UDTNNXJPIVEMOF-UHFFFAOYSA-N 0 0 178.195 1.127 10 0 ADAERN CC1(C)OCCc2conc21 45813907 343272483 /nfs/dbraw/zinc/27/24/83/343272483.db2.gz KYVYEKPXKLUKCR-UHFFFAOYSA-N 0 0 153.181 1.482 10 0 ADAERN CC(C)Cc1cnc(N)nc1 45817373 343272501 /nfs/dbraw/zinc/27/25/01/343272501.db2.gz YAKIJEZSDKOGGQ-UHFFFAOYSA-N 0 0 151.213 1.257 10 0 ADAERN CCc1nc2c(O)cccc2c(=O)[nH]1 45817670 343272508 /nfs/dbraw/zinc/27/25/08/343272508.db2.gz UAZPEPIFTCFRSL-UHFFFAOYSA-N 0 0 190.202 1.191 10 0 ADAERN Cc1cc2nc(N)c(=O)[nH]c2cc1C 45814587 343272513 /nfs/dbraw/zinc/27/25/13/343272513.db2.gz NKVLYTVJYVNSSE-UHFFFAOYSA-N 0 0 189.218 1.122 10 0 ADAERN Cc1[nH]cnc1-c1nc2cc[nH]cc-2n1 45815031 343272517 /nfs/dbraw/zinc/27/25/17/343272517.db2.gz LBHYWBSNVVGCFR-UHFFFAOYSA-N 0 0 199.217 1.656 10 0 ADAERN Cc1nc2ccc(F)cc2[nH]c1=O 45814439 343272561 /nfs/dbraw/zinc/27/25/61/343272561.db2.gz VMCMFKQRULNMJT-UHFFFAOYSA-N 0 0 178.166 1.371 10 0 ADAERN Cc1cc2nccnc2cc1N 45823613 343272725 /nfs/dbraw/zinc/27/27/25/343272725.db2.gz SCHXCJAURQWQNM-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN Cc1nc2c(C)cccc2[nH]c1=O 45823603 343272746 /nfs/dbraw/zinc/27/27/46/343272746.db2.gz OCDNQUMWKHDHKI-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN Cc1c(F)ccc2ncc(=O)[nH]c12 45823643 343272797 /nfs/dbraw/zinc/27/27/97/343272797.db2.gz ANMDFTBTLXSQGW-UHFFFAOYSA-N 0 0 178.166 1.371 10 0 ADAERN Cc1nc2c(ccc3nonc32)[nH]1 45820986 343272825 /nfs/dbraw/zinc/27/28/25/343272825.db2.gz JCAKAXAEFGFHTN-UHFFFAOYSA-N 0 0 174.163 1.408 10 0 ADAERN Cc1cc(N)cc2nccnc12 45823615 343272835 /nfs/dbraw/zinc/27/28/35/343272835.db2.gz RZHDPRJKURHDFX-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN Cc1ccc2nc(C)c(=O)[nH]c2c1 45823599 343272916 /nfs/dbraw/zinc/27/29/16/343272916.db2.gz YCLSJAXNBDCZCI-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN Cc1cc(N)c2nccnc2c1 45823611 343272943 /nfs/dbraw/zinc/27/29/43/343272943.db2.gz HHHCVAWXYCRRBP-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN CSCC(=O)OC(C)C 47874122 343273545 /nfs/dbraw/zinc/27/35/45/343273545.db2.gz GMHIEWKLBJLGRT-UHFFFAOYSA-N 0 0 148.227 1.301 10 0 ADAERN CC(=O)COc1ccc(C=O)cc1 48101954 343273633 /nfs/dbraw/zinc/27/36/33/343273633.db2.gz VPGDXRNEABOOGB-UHFFFAOYSA-N 0 0 178.187 1.467 10 0 ADAERN CNC(=O)c1c(C)noc1C(C)C 48325316 343274114 /nfs/dbraw/zinc/27/41/14/343274114.db2.gz DPOCWAYASNUSGX-UHFFFAOYSA-N 0 0 182.223 1.466 10 0 ADAERN S=c1[nH]c(=S)c2cc[nH]c2[nH]1 48523998 343274458 /nfs/dbraw/zinc/27/44/58/343274458.db2.gz UMILDPVQRSKHPB-UHFFFAOYSA-N 0 0 183.261 1.909 10 0 ADAERN CN(C(N)=O)c1ccc(F)cc1 48440595 343274565 /nfs/dbraw/zinc/27/45/65/343274565.db2.gz BGHWBPXPYVDZQD-UHFFFAOYSA-N 0 0 168.171 1.341 10 0 ADAERN CCOC(=O)Nc1nc(C)cc(C)n1 48523908 343274570 /nfs/dbraw/zinc/27/45/70/343274570.db2.gz MWJAYICDMXFMFJ-UHFFFAOYSA-N 0 0 195.222 1.662 10 0 ADAERN [O-][n+]1ccn(O)c1-c1ccccc1 48524277 343274634 /nfs/dbraw/zinc/27/46/34/343274634.db2.gz GRUKMGBYFWMAKS-UHFFFAOYSA-N 0 0 176.175 1.026 10 0 ADAERN CC(C)OC(=O)c1sccc1N 48671211 343275139 /nfs/dbraw/zinc/27/51/39/343275139.db2.gz KGJGUKLNUXWSHP-UHFFFAOYSA-N 0 0 185.248 1.896 10 0 ADAERN CC(=O)c1cc(C(C)=O)c(C)[nH]1 48643471 343275209 /nfs/dbraw/zinc/27/52/09/343275209.db2.gz RUICHJLWEDMZBH-UHFFFAOYSA-N 0 0 165.192 1.728 10 0 ADAERN Cc1nn(C)c(C)c1[C@H]1C=C[C@@H](O)C1 49587743 343276117 /nfs/dbraw/zinc/27/61/17/343276117.db2.gz HGXWGCQWJLRFNH-VHSXEESVSA-N 0 0 192.262 1.441 10 0 biogenic,in-vitro ADAERN Cc1cn2c(n1)CCCC2 49804434 343276642 /nfs/dbraw/zinc/27/66/42/343276642.db2.gz IHNKMJLDBGGAOD-UHFFFAOYSA-N 0 0 136.198 1.528 10 0 ADAERN Cc1ccc(C2OCCO2)cc1N 49805534 343276903 /nfs/dbraw/zinc/27/69/03/343276903.db2.gz LTTVQGOPUBMGFR-UHFFFAOYSA-N 0 0 179.219 1.623 10 0 ADAERN CN(CCO)c1ccc(Cl)cc1 49806040 343276982 /nfs/dbraw/zinc/27/69/82/343276982.db2.gz OSXGIWWXPSYILL-UHFFFAOYSA-N 0 0 185.654 1.769 10 0 ADAERN Cc1cc(C)n(CC(=O)OC(C)C)n1 49943100 343277212 /nfs/dbraw/zinc/27/72/12/343277212.db2.gz WXJTUTCBVPHXRX-UHFFFAOYSA-N 0 0 196.250 1.452 10 0 ADAERN CCC(=O)NCc1ccccc1N 50015106 343277621 /nfs/dbraw/zinc/27/76/21/343277621.db2.gz IKELBADPUFAYCO-UHFFFAOYSA-N 0 0 178.235 1.295 10 0 ADAERN CN(C(N)=S)c1ccccc1F 50006365 343277794 /nfs/dbraw/zinc/27/77/94/343277794.db2.gz IQVOJRLJKMFEHA-UHFFFAOYSA-N 0 0 184.239 1.506 10 0 ADAERN CC(C)c1nnc(C(C)(C)O)[nH]1 50039591 343277873 /nfs/dbraw/zinc/27/78/73/343277873.db2.gz BRFZRLLHSBGZGF-UHFFFAOYSA-N 0 0 169.228 1.156 10 0 ADAERN CN(C(N)=O)c1cccc(F)c1 50006498 343277905 /nfs/dbraw/zinc/27/79/05/343277905.db2.gz CJXOODNUTPFLLX-UHFFFAOYSA-N 0 0 168.171 1.341 10 0 ADAERN Cc1ccc(C)c(C(=O)[C@@H](C)O)c1 50161272 343278615 /nfs/dbraw/zinc/27/86/15/343278615.db2.gz HFJIHLGFCDJDTE-SECBINFHSA-N 0 0 178.231 1.867 10 0 ADAERN Cc1ccc(N)c(C)c1OCCO 50123235 343278639 /nfs/dbraw/zinc/27/86/39/343278639.db2.gz UIEHSYOMGVGRKM-UHFFFAOYSA-N 0 0 181.235 1.257 10 0 ADAERN CC(=O)[C@@H](C)N1CCSCC1 50133059 343278786 /nfs/dbraw/zinc/27/87/86/343278786.db2.gz RTSLQUIWXRQJSW-SSDOTTSWSA-N 0 0 173.281 1.013 10 0 ADAERN Cc1ccc(C(=O)[C@@H](C)O)cc1C 50161274 343278838 /nfs/dbraw/zinc/27/88/38/343278838.db2.gz XMOVXMONLMFXOD-SECBINFHSA-N 0 0 178.231 1.867 10 0 ADAERN CN(Cc1ccoc1)[C@H]1CCCC1=O 50151025 343278840 /nfs/dbraw/zinc/27/88/40/343278840.db2.gz YFCKANRHOTZHPB-JTQLQIEISA-N 0 0 193.246 1.833 10 0 ADAERN CN(Cc1ccco1)[C@H]1CCCC1=O 50133910 343278878 /nfs/dbraw/zinc/27/88/78/343278878.db2.gz ARFQJCZRPMHUOX-JTQLQIEISA-N 0 0 193.246 1.833 10 0 ADAERN CN(Cc1ccco1)[C@@H]1CCCC1=O 50133909 343278899 /nfs/dbraw/zinc/27/88/99/343278899.db2.gz ARFQJCZRPMHUOX-SNVBAGLBSA-N 0 0 193.246 1.833 10 0 ADAERN CN(Cc1ccoc1)[C@@H]1CCCC1=O 50151023 343278932 /nfs/dbraw/zinc/27/89/32/343278932.db2.gz YFCKANRHOTZHPB-SNVBAGLBSA-N 0 0 193.246 1.833 10 0 ADAERN CCC(=O)Cn1c(C)cccc1=O 50180976 343279126 /nfs/dbraw/zinc/27/91/26/343279126.db2.gz CLAKZVYIYITBQY-UHFFFAOYSA-N 0 0 179.219 1.136 10 0 ADAERN CCC(=O)CN1C[C@H](C)OC[C@@H]1C 50179801 343279170 /nfs/dbraw/zinc/27/91/70/343279170.db2.gz MWAUFPROJBOVME-IUCAKERBSA-N 0 0 185.267 1.075 10 0 ADAERN CCC(=O)CN1CCSC1=O 50180954 343279200 /nfs/dbraw/zinc/27/92/00/343279200.db2.gz ULVXUKRSFHGEQA-UHFFFAOYSA-N 0 0 173.237 1.134 10 0 ADAERN CCC(=O)Cn1cc(C)cn1 50180650 343279240 /nfs/dbraw/zinc/27/92/40/343279240.db2.gz CVCFRIKFLLSRHR-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN CCC(=O)CN1C[C@H](C)O[C@H](C)C1 50179677 343279250 /nfs/dbraw/zinc/27/92/50/343279250.db2.gz RSIGRMMNKNNOCY-DTORHVGOSA-N 0 0 185.267 1.075 10 0 ADAERN CCC(=O)CN1CCCCCC1=O 50180746 343279271 /nfs/dbraw/zinc/27/92/71/343279271.db2.gz JHLJYMWVCCSQFT-UHFFFAOYSA-N 0 0 183.251 1.368 10 0 ADAERN CCC(=O)CN1CCO[C@H]2CCC[C@@H]21 50180111 343279285 /nfs/dbraw/zinc/27/92/85/343279285.db2.gz DVNBGIRSABOJGN-QWRGUYRKSA-N 0 0 197.278 1.219 10 0 ADAERN CCC(=O)CN1CCOC(C)(C)C1 50179841 343279303 /nfs/dbraw/zinc/27/93/03/343279303.db2.gz GQTDFCNVKMTWDK-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN CCC(=O)CN1C[C@@H](C)OC[C@@H]1C 50179802 343279316 /nfs/dbraw/zinc/27/93/16/343279316.db2.gz MWAUFPROJBOVME-DTWKUNHWSA-N 0 0 185.267 1.075 10 0 ADAERN CCC(=O)CN1CCO[C@@H]2CCC[C@@H]21 50180112 343279345 /nfs/dbraw/zinc/27/93/45/343279345.db2.gz DVNBGIRSABOJGN-WDEREUQCSA-N 0 0 197.278 1.219 10 0 ADAERN CCC(=O)CN1CCOCC1(C)C 50179935 343279350 /nfs/dbraw/zinc/27/93/50/343279350.db2.gz BUGFXRLYUIISGJ-UHFFFAOYSA-N 0 0 185.267 1.076 10 0 ADAERN CCC(=O)Cn1cc(Cl)cn1 50180653 343279364 /nfs/dbraw/zinc/27/93/64/343279364.db2.gz AGXIJBNGSHHSCI-UHFFFAOYSA-N 0 0 172.615 1.516 10 0 ADAERN CCC(=O)Cn1nc(C)cc1C 50180631 343279367 /nfs/dbraw/zinc/27/93/67/343279367.db2.gz DNPSBNMJUFXRLL-UHFFFAOYSA-N 0 0 166.224 1.479 10 0 ADAERN CCC(=O)Cn1nc(C)c(C)c1C 50180662 343279388 /nfs/dbraw/zinc/27/93/88/343279388.db2.gz SYVWGBXETOAAJS-UHFFFAOYSA-N 0 0 180.251 1.787 10 0 ADAERN CCC(=O)CN1CCCCCCC1=O 50180720 343279425 /nfs/dbraw/zinc/27/94/25/343279425.db2.gz LBHLMQHOQHLNMH-UHFFFAOYSA-N 0 0 197.278 1.758 10 0 ADAERN COC(=O)CCCOc1cccnc1 50211379 343279555 /nfs/dbraw/zinc/27/95/55/343279555.db2.gz 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343283445 /nfs/dbraw/zinc/28/34/45/343283445.db2.gz XBXFSSVIMDRKDI-LURJTMIESA-N 0 0 196.275 1.746 10 0 ADAERN CC(=O)COC1CCC1 50520796 343283501 /nfs/dbraw/zinc/28/35/01/343283501.db2.gz BMOIKYQABRGXEN-UHFFFAOYSA-N 0 0 128.171 1.145 10 0 ADAERN OCc1ccnc(OC2CCC2)c1 50520863 343283504 /nfs/dbraw/zinc/28/35/04/343283504.db2.gz WEQQJKHJLSDILL-UHFFFAOYSA-N 0 0 179.219 1.505 10 0 ADAERN C[C@H](O)[C@@H](C)OC1CCC1 50521379 343283513 /nfs/dbraw/zinc/28/35/13/343283513.db2.gz BAXKLMRJRKTANX-NKWVEPMBSA-N 0 0 144.214 1.325 10 0 ADAERN C[C@H](O)[C@H](C)OC1CCC1 50521381 343283575 /nfs/dbraw/zinc/28/35/75/343283575.db2.gz BAXKLMRJRKTANX-BQBZGAKWSA-N 0 0 144.214 1.325 10 0 ADAERN CC(=O)[C@H](C)OC1CCC1 50520739 343283578 /nfs/dbraw/zinc/28/35/78/343283578.db2.gz HHEBCZQLSPFWHK-ZETCQYMHSA-N 0 0 142.198 1.533 10 0 ADAERN CC(=O)[C@@H](C)OC1CCC1 50520740 343283637 /nfs/dbraw/zinc/28/36/37/343283637.db2.gz HHEBCZQLSPFWHK-SSDOTTSWSA-N 0 0 142.198 1.533 10 0 ADAERN CCn1cc(C[C@@H]2CCCC2=O)cn1 50540482 343283755 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50526999 343283959 /nfs/dbraw/zinc/28/39/59/343283959.db2.gz OFSMXDFOHCTGCI-SNVBAGLBSA-N 0 0 190.246 1.807 10 0 ADAERN CCn1cc(CC(C)=O)cn1 50541848 343284020 /nfs/dbraw/zinc/28/40/20/343284020.db2.gz GNNRNSZXZHIBHT-UHFFFAOYSA-N 0 0 152.197 1.035 10 0 ADAERN C[C@H](O)[C@H](C)n1ncc2ccccc21 50527813 343284073 /nfs/dbraw/zinc/28/40/73/343284073.db2.gz CBEZQNQLBPOJJE-IUCAKERBSA-N 0 0 190.246 1.978 10 0 ADAERN C[C@H]1CCCN(C(N)=S)[C@H]1C 50564919 343284234 /nfs/dbraw/zinc/28/42/34/343284234.db2.gz WKHOHVXTXPYJAV-BQBZGAKWSA-N 0 0 172.297 1.350 10 0 ADAERN CCn1cc(C[C@@H]2CCC[C@@H]2O)cn1 50543669 343284277 /nfs/dbraw/zinc/28/42/77/343284277.db2.gz IHBZXACWCKXZGL-QWRGUYRKSA-N 0 0 194.278 1.607 10 0 ADAERN C[C@@H]1CCCN(C(N)=S)[C@@H]1C 50564916 343284301 /nfs/dbraw/zinc/28/43/01/343284301.db2.gz WKHOHVXTXPYJAV-RNFRBKRXSA-N 0 0 172.297 1.350 10 0 ADAERN Cc1cc(CO)ccc1-n1cccn1 50561471 343284314 /nfs/dbraw/zinc/28/43/14/343284314.db2.gz RGWMMFYDCUFSOI-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN CCn1cc(C[C@@H]2CCC[C@H]2O)cn1 50543671 343284356 /nfs/dbraw/zinc/28/43/56/343284356.db2.gz IHBZXACWCKXZGL-WDEREUQCSA-N 0 0 194.278 1.607 10 0 ADAERN Cc1cc(CO)ccc1-n1cncn1 50561472 343284358 /nfs/dbraw/zinc/28/43/58/343284358.db2.gz OXIQUGGLHSAHDZ-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CCn1cc(C[C@H]2CCC[C@@H]2O)cn1 50543670 343284383 /nfs/dbraw/zinc/28/43/83/343284383.db2.gz IHBZXACWCKXZGL-MNOVXSKESA-N 0 0 194.278 1.607 10 0 ADAERN Cc1cc(CO)ccc1-n1ccnc1 50561475 343284403 /nfs/dbraw/zinc/28/44/03/343284403.db2.gz WDSCLXWVWQIEAU-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN C[C@H]1[C@H](C)CCCN1C(N)=S 50564918 343284446 /nfs/dbraw/zinc/28/44/46/343284446.db2.gz WKHOHVXTXPYJAV-RQJHMYQMSA-N 0 0 172.297 1.350 10 0 ADAERN Cc1cc(CNN)ccc1F 50559009 343284454 /nfs/dbraw/zinc/28/44/54/343284454.db2.gz OHIYGTCXUUFQCK-UHFFFAOYSA-N 0 0 154.188 1.097 10 0 ADAERN C[C@H]1CCCN(C(N)=S)[C@@H]1C 50564917 343284531 /nfs/dbraw/zinc/28/45/31/343284531.db2.gz WKHOHVXTXPYJAV-NKWVEPMBSA-N 0 0 172.297 1.350 10 0 ADAERN Cc1cc(F)ccc1CNN 50579794 343284701 /nfs/dbraw/zinc/28/47/01/343284701.db2.gz ORGFOYZTZUCJSU-UHFFFAOYSA-N 0 0 154.188 1.097 10 0 ADAERN Cc1cc(-n2cncn2)ccc1CO 50583659 343284710 /nfs/dbraw/zinc/28/47/10/343284710.db2.gz ZOWRCZBREVEAON-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN C[C@H]1CCC[N@@H+](C[C@@H](C)C(=O)[O-])[C@@H]1C 50565528 343284750 /nfs/dbraw/zinc/28/47/50/343284750.db2.gz DFYREXUQCSFAOS-IVZWLZJFSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1C)C(=O)[O-] 50565527 343284859 /nfs/dbraw/zinc/28/48/59/343284859.db2.gz DFYREXUQCSFAOS-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C)[C@H]1C 50565445 343284955 /nfs/dbraw/zinc/28/49/55/343284955.db2.gz SPLLXNVYWMSCFY-HLTSFMKQSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCC[C@@H](C)[C@H]1C 50565505 343285005 /nfs/dbraw/zinc/28/50/05/343285005.db2.gz YJCNGNCXWKVZFR-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C)[C@@H]1C 50565544 343285021 /nfs/dbraw/zinc/28/50/21/343285021.db2.gz VPPDLRPPXBUHDF-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN Cc1nn(C[C@@H](C)O)c(C)c1Cl 50587476 343285216 /nfs/dbraw/zinc/28/52/16/343285216.db2.gz LHFCQGSSQHSCGV-RXMQYKEDSA-N 0 0 188.658 1.534 10 0 ADAERN Cc1nn(C[C@H]2CO2)c(C)c1Cl 50586565 343285236 /nfs/dbraw/zinc/28/52/36/343285236.db2.gz WVGYZTABVNCHDP-ZETCQYMHSA-N 0 0 186.642 1.552 10 0 ADAERN CCn1cc[nH+]c1NC(C)(C)C(=O)[O-] 50607744 343285239 /nfs/dbraw/zinc/28/52/39/343285239.db2.gz ABQZVVMXHJCUFK-UHFFFAOYSA-N 0 0 197.238 1.178 10 0 ADAERN CCn1ccnc1N1CCC(=O)CC1 50608051 343285283 /nfs/dbraw/zinc/28/52/83/343285283.db2.gz JIMKYEMNBFCSRY-UHFFFAOYSA-N 0 0 193.250 1.072 10 0 ADAERN C[C@H](O)c1ccccc1NC=O 50607526 343285293 /nfs/dbraw/zinc/28/52/93/343285293.db2.gz QLWWFKDXFNKDKF-ZETCQYMHSA-N 0 0 165.192 1.308 10 0 ADAERN Cn1ccnc1Oc1ccccc1O 50607056 343285296 /nfs/dbraw/zinc/28/52/96/343285296.db2.gz CWPICRULIMHXJP-UHFFFAOYSA-N 0 0 190.202 1.918 10 0 ADAERN Cn1ccnc1Oc1ccc(O)cc1 50607053 343285397 /nfs/dbraw/zinc/28/53/97/343285397.db2.gz MAQGIHKQUFDLRY-UHFFFAOYSA-N 0 0 190.202 1.918 10 0 ADAERN CCCNc1ccccc1C(=O)NC 50725821 343285617 /nfs/dbraw/zinc/28/56/17/343285617.db2.gz OSIYWZHGTCBLKM-UHFFFAOYSA-N 0 0 192.262 1.868 10 0 ADAERN CCNC(=O)c1ccc(NCC)nc1 50725991 343285749 /nfs/dbraw/zinc/28/57/49/343285749.db2.gz AOAWKOWRZGGBTE-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CN(C)C(=O)c1cnc(N)c(Cl)c1 50696753 343285650 /nfs/dbraw/zinc/28/56/50/343285650.db2.gz ZLUZVIFZNRBTLH-UHFFFAOYSA-N 0 0 199.641 1.019 10 0 ADAERN C[C@H]1CCCN1Cc1nnsc1N 50791639 343285657 /nfs/dbraw/zinc/28/56/57/343285657.db2.gz SJRVFYHEPOZZER-LURJTMIESA-N 0 0 198.295 1.105 10 0 ADAERN CCCNc1ncccc1C(=O)NC 50725826 343285755 /nfs/dbraw/zinc/28/57/55/343285755.db2.gz MOOZTJSQXBKEFI-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CN(C)C(=O)c1nc(N)ccc1Cl 50696736 343285817 /nfs/dbraw/zinc/28/58/17/343285817.db2.gz UUCAXYHSNGDLQC-UHFFFAOYSA-N 0 0 199.641 1.019 10 0 ADAERN CCNc1snnc1CN(C)C 50792935 343285829 /nfs/dbraw/zinc/28/58/29/343285829.db2.gz ZIJDFSNUULRYAJ-UHFFFAOYSA-N 0 0 186.284 1.032 10 0 ADAERN CCNC(=O)c1cccnc1NCC 50725986 343285913 /nfs/dbraw/zinc/28/59/13/343285913.db2.gz KLFWRLAGVNXEDA-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CCNC(=O)c1ccnc(NCC)c1 50726019 343285979 /nfs/dbraw/zinc/28/59/79/343285979.db2.gz LVHJCLZMTDEWJB-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN Cc1cc(N)nc(CCC(C)C)n1 50845243 343286077 /nfs/dbraw/zinc/28/60/77/343286077.db2.gz MCZHGSJKWZMLNC-UHFFFAOYSA-N 0 0 179.267 1.956 10 0 ADAERN CCc1cc(NC)nc(COC)n1 50851069 343286091 /nfs/dbraw/zinc/28/60/91/343286091.db2.gz GQRZVLFOUDVKIZ-UHFFFAOYSA-N 0 0 181.239 1.227 10 0 ADAERN Cc1nccn1Cc1ccc(N)nc1 50818391 343286097 /nfs/dbraw/zinc/28/60/97/343286097.db2.gz XMTUNGQKOAENEV-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1cc(N)nc(CC(F)(F)F)n1 50845235 343286134 /nfs/dbraw/zinc/28/61/34/343286134.db2.gz IVUJPZRIUQTCHC-UHFFFAOYSA-N 0 0 191.156 1.472 10 0 ADAERN CCc1nc(C)c(CC)c(NC)n1 50849241 343286171 /nfs/dbraw/zinc/28/61/71/343286171.db2.gz QLCJAIDPWJZLSZ-UHFFFAOYSA-N 0 0 179.267 1.952 10 0 ADAERN CC(C)OCc1nnsc1N 50831817 343286228 /nfs/dbraw/zinc/28/62/28/343286228.db2.gz ZLEHMSOKNYICKC-UHFFFAOYSA-N 0 0 173.241 1.045 10 0 ADAERN CC(C)c1nc(N)c2c(n1)CCC2 50844566 343286233 /nfs/dbraw/zinc/28/62/33/343286233.db2.gz OKRCWGLLBRDUJG-UHFFFAOYSA-N 0 0 177.251 1.671 10 0 ADAERN CCOCc1nnsc1NC 50830493 343286262 /nfs/dbraw/zinc/28/62/62/343286262.db2.gz DCDUXQHQRGDJAM-UHFFFAOYSA-N 0 0 173.241 1.116 10 0 ADAERN Cc1cccnc1-c1nccc(N)n1 50847185 343286283 /nfs/dbraw/zinc/28/62/83/343286283.db2.gz IUHRKAXUBXWEFC-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCc1nc(N)c2c(n1)CCCC2 50846692 343286286 /nfs/dbraw/zinc/28/62/86/343286286.db2.gz KTDBTJBHJSAMGJ-UHFFFAOYSA-N 0 0 177.251 1.500 10 0 ADAERN Cc1cc(N)nc(C[C@H]2CCCO2)n1 50845065 343286290 /nfs/dbraw/zinc/28/62/90/343286290.db2.gz WPQLKEFBUJKUCD-MRVPVSSYSA-N 0 0 193.250 1.089 10 0 ADAERN CCOCc1ccc(NC)nc1 50830499 343286314 /nfs/dbraw/zinc/28/63/14/343286314.db2.gz FABXIPZVOJZQPL-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN CNc1snnc1COC1CCC1 50833300 343286355 /nfs/dbraw/zinc/28/63/55/343286355.db2.gz XHRBZKCRJFEEEW-UHFFFAOYSA-N 0 0 199.279 1.649 10 0 ADAERN CCc1nc2c(c(NC)n1)CCC2 50847477 343286377 /nfs/dbraw/zinc/28/63/77/343286377.db2.gz AYBHUCNWIXMUSU-UHFFFAOYSA-N 0 0 177.251 1.569 10 0 ADAERN CCSCc1nnsc1NC 50833725 343286385 /nfs/dbraw/zinc/28/63/85/343286385.db2.gz TZHYFOILHFCTAG-UHFFFAOYSA-N 0 0 189.309 1.833 10 0 ADAERN CCc1c(C)nc(COC)nc1NC 50849482 343286393 /nfs/dbraw/zinc/28/63/93/343286393.db2.gz KEUGMSVWGMGBGR-UHFFFAOYSA-N 0 0 195.266 1.536 10 0 ADAERN Cc1cc(N)nc(C[C@@H]2CCCO2)n1 50845063 343286410 /nfs/dbraw/zinc/28/64/10/343286410.db2.gz WPQLKEFBUJKUCD-QMMMGPOBSA-N 0 0 193.250 1.089 10 0 ADAERN CCc1nc(C)c(CC)c(N)n1 50845298 343286422 /nfs/dbraw/zinc/28/64/22/343286422.db2.gz BTSUFAXPPOTFBQ-UHFFFAOYSA-N 0 0 165.240 1.492 10 0 ADAERN Cc1ccc(-c2ccc(N)nn2)o1 50867802 343286431 /nfs/dbraw/zinc/28/64/31/343286431.db2.gz YUFXGIBRDNUXMN-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCc1cc(N)nc(C(C)(C)C)n1 50846236 343286443 /nfs/dbraw/zinc/28/64/43/343286443.db2.gz ZKWGNRUAQPARTH-UHFFFAOYSA-N 0 0 179.267 1.919 10 0 ADAERN Cc1nc(N)c2c(n1)CCCC2 50846690 343286457 /nfs/dbraw/zinc/28/64/57/343286457.db2.gz MZQDWWJYKLNUKN-UHFFFAOYSA-N 0 0 163.224 1.246 10 0 ADAERN CC(C)SCc1nnsc1N 50839043 343286461 /nfs/dbraw/zinc/28/64/61/343286461.db2.gz ZJTCONIIDLVDND-UHFFFAOYSA-N 0 0 189.309 1.762 10 0 ADAERN CCc1cc(NC)nc(C2CC2)n1 50850870 343286463 /nfs/dbraw/zinc/28/64/63/343286463.db2.gz RFBUWBPWIHQEFZ-UHFFFAOYSA-N 0 0 177.251 1.958 10 0 ADAERN CCc1c(C)nc(C)nc1NC 50849238 343286496 /nfs/dbraw/zinc/28/64/96/343286496.db2.gz CHPIPGLJGPTSFZ-UHFFFAOYSA-N 0 0 165.240 1.698 10 0 ADAERN CCNc1snnc1COC 50830452 343286501 /nfs/dbraw/zinc/28/65/01/343286501.db2.gz JMUVLXRMJOGLHI-UHFFFAOYSA-N 0 0 173.241 1.116 10 0 ADAERN CCc1nc(N)c2c(n1)CCC2 50844523 343286503 /nfs/dbraw/zinc/28/65/03/343286503.db2.gz CXUMXLVMPQTKHY-UHFFFAOYSA-N 0 0 163.224 1.110 10 0 ADAERN CCc1cc(N)nc(CC(C)C)n1 50846196 343286508 /nfs/dbraw/zinc/28/65/08/343286508.db2.gz SAJQMYSLGKRIFQ-UHFFFAOYSA-N 0 0 179.267 1.820 10 0 ADAERN CCC(=O)CN1Cc2ccccc2C1 50911671 343286659 /nfs/dbraw/zinc/28/66/59/343286659.db2.gz ODNVBSJJUKICJJ-UHFFFAOYSA-N 0 0 189.258 1.981 10 0 ADAERN CCCC1CCN(C(N)=S)CC1 50906008 343286795 /nfs/dbraw/zinc/28/67/95/343286795.db2.gz XWUCKNAZUVKGIY-UHFFFAOYSA-N 0 0 186.324 1.742 10 0 ADAERN CC(=O)[C@H](C)N1Cc2ccccc2C1 50911685 343286847 /nfs/dbraw/zinc/28/68/47/343286847.db2.gz FWOVPOUIZHFRKC-VIFPVBQESA-N 0 0 189.258 1.980 10 0 ADAERN Cc1nnc([C@H]2CCCCO2)[nH]1 50970389 343286988 /nfs/dbraw/zinc/28/69/88/343286988.db2.gz VDEHGIMPKYBGOP-SSDOTTSWSA-N 0 0 167.212 1.355 10 0 ADAERN CC(=O)[C@@H](C)N1Cc2ccccc2C1 50911686 343287042 /nfs/dbraw/zinc/28/70/42/343287042.db2.gz FWOVPOUIZHFRKC-SECBINFHSA-N 0 0 189.258 1.980 10 0 ADAERN COC(=O)[C@@](C)(O)c1cccc(C)c1 50975083 343287093 /nfs/dbraw/zinc/28/70/93/343287093.db2.gz XCBFPVYUVHWYIT-NSHDSACASA-N 0 0 194.230 1.376 10 0 ADAERN S=C1N=NC([C@H]2CCCCO2)N1 50970432 343287106 /nfs/dbraw/zinc/28/71/06/343287106.db2.gz IEJYXNYAGRUIAG-RXMQYKEDSA-N 0 0 185.252 1.335 10 0 ADAERN CCc1nnc([C@H]2CCCCO2)[nH]1 50970393 343287144 /nfs/dbraw/zinc/28/71/44/343287144.db2.gz AYGCNNUATJQZOW-SSDOTTSWSA-N 0 0 181.239 1.609 10 0 ADAERN Cc1nnc([C@@H]2CCCCO2)[nH]1 50970387 343287147 /nfs/dbraw/zinc/28/71/47/343287147.db2.gz VDEHGIMPKYBGOP-ZETCQYMHSA-N 0 0 167.212 1.355 10 0 ADAERN C[C@H](N)c1nnc([C@@H]2CCCCO2)o1 50973772 343287153 /nfs/dbraw/zinc/28/71/53/343287153.db2.gz PONZINQVUMLMOJ-BQBZGAKWSA-N 0 0 197.238 1.331 10 0 ADAERN C[C@](O)(C(N)=O)c1ccccc1Cl 50976492 343287188 /nfs/dbraw/zinc/28/71/88/343287188.db2.gz AKWFJEVDQFMXHC-SECBINFHSA-N 0 0 199.637 1.033 10 0 ADAERN C[C@H](N)c1nnc([C@H]2CCCCO2)o1 50973779 343287194 /nfs/dbraw/zinc/28/71/94/343287194.db2.gz PONZINQVUMLMOJ-NKWVEPMBSA-N 0 0 197.238 1.331 10 0 ADAERN COC(=O)[C@](C)(O)c1cccc(C)c1 50975086 343287200 /nfs/dbraw/zinc/28/72/00/343287200.db2.gz XCBFPVYUVHWYIT-LLVKDONJSA-N 0 0 194.230 1.376 10 0 ADAERN C1CC[C@H](c2nnc(C3CC3)[nH]2)OC1 50970404 343287212 /nfs/dbraw/zinc/28/72/12/343287212.db2.gz QYKODULPWWRBMN-MRVPVSSYSA-N 0 0 193.250 1.924 10 0 ADAERN C[C@@](O)(C(N)=O)c1ccccc1Cl 50976495 343287474 /nfs/dbraw/zinc/28/74/74/343287474.db2.gz AKWFJEVDQFMXHC-VIFPVBQESA-N 0 0 199.637 1.033 10 0 ADAERN C[C@](O)(C(N)=O)c1cccc(Cl)c1 50976571 343287477 /nfs/dbraw/zinc/28/74/77/343287477.db2.gz MBVMXSQZMWSFBQ-SECBINFHSA-N 0 0 199.637 1.033 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@](O)(C(N)=O)C1 50976712 343287481 /nfs/dbraw/zinc/28/74/81/343287481.db2.gz ACXNSSNYIFHASX-XCBNKYQSSA-N 0 0 185.267 1.049 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@](O)(C(N)=O)C1 50976717 343287482 /nfs/dbraw/zinc/28/74/82/343287482.db2.gz ACXNSSNYIFHASX-GMSGAONNSA-N 0 0 185.267 1.049 10 0 ADAERN CC(C)c1ccc([C@@H](O)C(N)=O)cc1 50977073 343287487 /nfs/dbraw/zinc/28/74/87/343287487.db2.gz VGIVYVGYLULPKZ-SNVBAGLBSA-N 0 0 193.246 1.329 10 0 ADAERN CC(C)c1ccc([C@H](O)C(N)=O)cc1 50977070 343287488 /nfs/dbraw/zinc/28/74/88/343287488.db2.gz VGIVYVGYLULPKZ-JTQLQIEISA-N 0 0 193.246 1.329 10 0 ADAERN CC(C)=CCn1ccnc1C=O 51003501 343287699 /nfs/dbraw/zinc/28/76/99/343287699.db2.gz RPWLJIALSKCKJN-UHFFFAOYSA-N 0 0 164.208 1.662 10 0 ADAERN O=Cc1nccn1C/C=C/Cl 51003496 343287717 /nfs/dbraw/zinc/28/77/17/343287717.db2.gz YMXZEOKTZCUDLI-OWOJBTEDSA-N 0 0 170.599 1.448 10 0 ADAERN Cc1cc(Cn2ccnc2C=O)no1 51003309 343287732 /nfs/dbraw/zinc/28/77/32/343287732.db2.gz DJLPALPSROYBRN-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN CC(C)=CCn1ccnc1CO 51003926 343287829 /nfs/dbraw/zinc/28/78/29/343287829.db2.gz YDIUPHVXWUQDFP-UHFFFAOYSA-N 0 0 166.224 1.342 10 0 ADAERN C/C=C/Cn1ccnc1C=O 51003504 343287841 /nfs/dbraw/zinc/28/78/41/343287841.db2.gz FYHBHKMUDXSCCM-NSCUHMNNSA-N 0 0 150.181 1.272 10 0 ADAERN Cc1nccn1-c1cccc(CO)n1 51042544 343288144 /nfs/dbraw/zinc/28/81/44/343288144.db2.gz FNAGHRFMCFVSDE-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN Cc1cccnc1NC[C@H]1CCCO1 51040885 343288172 /nfs/dbraw/zinc/28/81/72/343288172.db2.gz FBWMFPHQNSSDHY-SNVBAGLBSA-N 0 0 192.262 1.981 10 0 ADAERN Cc1cccnc1NC[C@@H]1CCOC1 51041018 343288225 /nfs/dbraw/zinc/28/82/25/343288225.db2.gz RAISUMPMIXYOTL-JTQLQIEISA-N 0 0 192.262 1.838 10 0 ADAERN C[C@@H]1CCN(c2cccc(CO)n2)C1 51041918 343288242 /nfs/dbraw/zinc/28/82/42/343288242.db2.gz XLCBQFACSPQRAN-SECBINFHSA-N 0 0 192.262 1.420 10 0 ADAERN Cc1cccnc1NC[C@H]1CCOC1 51041019 343288281 /nfs/dbraw/zinc/28/82/81/343288281.db2.gz RAISUMPMIXYOTL-SNVBAGLBSA-N 0 0 192.262 1.838 10 0 ADAERN Cc1cccnc1N[C@@H](C)CO 51040911 343288286 /nfs/dbraw/zinc/28/82/86/343288286.db2.gz MBHYDUNOJSKORE-QMMMGPOBSA-N 0 0 166.224 1.183 10 0 ADAERN Cc1cccnc1Nc1cnn(C)c1 51040932 343288289 /nfs/dbraw/zinc/28/82/89/343288289.db2.gz UQXACCMYVPDETH-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN CCCNC(=O)c1cccc(NC)n1 51069057 343288292 /nfs/dbraw/zinc/28/82/92/343288292.db2.gz RXPLHTPOSNAGJB-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN Cc1cccnc1-n1ccc(N)n1 51041383 343288365 /nfs/dbraw/zinc/28/83/65/343288365.db2.gz QRMZSADZJSHTTL-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCCNc1cccc(C(N)=O)n1 51070125 343288369 /nfs/dbraw/zinc/28/83/69/343288369.db2.gz UTETVZJUMOXORT-UHFFFAOYSA-N 0 0 179.223 1.002 10 0 ADAERN Cc1cccnc1NC[C@@H](C)O 51040909 343288371 /nfs/dbraw/zinc/28/83/71/343288371.db2.gz UWUYNLHCHOIXTA-MRVPVSSYSA-N 0 0 166.224 1.183 10 0 ADAERN Cc1cccnc1NC1CC1 51040836 343288374 /nfs/dbraw/zinc/28/83/74/343288374.db2.gz FZBOCIMMCRVCPR-UHFFFAOYSA-N 0 0 148.209 1.964 10 0 ADAERN Cc1cccnc1NCc1cn[nH]c1 51040980 343288381 /nfs/dbraw/zinc/28/83/81/343288381.db2.gz KHTJLTBDFZRJHM-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN CC(C)N(C)c1cccc(CO)n1 51041742 343288391 /nfs/dbraw/zinc/28/83/91/343288391.db2.gz CFOKKLPBPAMLFI-UHFFFAOYSA-N 0 0 180.251 1.419 10 0 ADAERN Cc1cccnc1-n1cc(N)cn1 51041380 343288398 /nfs/dbraw/zinc/28/83/98/343288398.db2.gz GRJSJKDAYQVUNS-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCCNC(=O)c1ccccc1NN 51093774 343288927 /nfs/dbraw/zinc/28/89/27/343288927.db2.gz VPYHGARAQQGPAM-UHFFFAOYSA-N 0 0 193.250 1.112 10 0 ADAERN Cc1ccc(-c2nccc(NN)n2)o1 51169050 343289125 /nfs/dbraw/zinc/28/91/25/343289125.db2.gz VHXKFCLHHPQZRG-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN NNc1ccnc(-c2ccco2)n1 51169089 343289171 /nfs/dbraw/zinc/28/91/71/343289171.db2.gz LCUVMYADKZYLKX-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN COCc1nc(NN)cc(C(C)C)n1 51153258 343289207 /nfs/dbraw/zinc/28/92/07/343289207.db2.gz PCKSONRFDIXTTB-UHFFFAOYSA-N 0 0 196.254 1.032 10 0 ADAERN C[NH+](C)Cc1cc(C(=O)[O-])co1 51330303 343289375 /nfs/dbraw/zinc/28/93/75/343289375.db2.gz SNOQSJOXSBTNMU-UHFFFAOYSA-N 0 0 169.180 1.039 10 0 ADAERN Oc1ccc(CCn2cnnc2)cc1 51332738 343289396 /nfs/dbraw/zinc/28/93/96/343289396.db2.gz VLGCFHLMVRJILD-UHFFFAOYSA-N 0 0 189.218 1.226 10 0 ADAERN Oc1cccc(Cn2cnnc2)c1 51332739 343289683 /nfs/dbraw/zinc/28/96/83/343289683.db2.gz HKNJDJHAPHAGMS-UHFFFAOYSA-N 0 0 175.191 1.032 10 0 ADAERN Cc1ccnc(SCC(C)(C)O)n1 51331785 343289711 /nfs/dbraw/zinc/28/97/11/343289711.db2.gz UNLFLFQWOOGVLG-UHFFFAOYSA-N 0 0 198.291 1.648 10 0 ADAERN C[C@H]1CC[N@H+](CC(C)(C)C(=O)[O-])C1 51288749 343289750 /nfs/dbraw/zinc/28/97/50/343289750.db2.gz KARPTAHYIQPDNU-QMMMGPOBSA-N 0 0 185.267 1.439 10 0 ADAERN C[C@H](O)c1ccc2c(c1)oc(=O)n2C 51362506 343290032 /nfs/dbraw/zinc/29/00/32/343290032.db2.gz UOGSYNDFPSSGJD-LURJTMIESA-N 0 0 193.202 1.185 10 0 ADAERN Cc1cccc(CN2CCC(=O)C2)n1 51576573 343290104 /nfs/dbraw/zinc/29/01/04/343290104.db2.gz PPQGRZRWZQUMLA-UHFFFAOYSA-N 0 0 190.246 1.165 10 0 ADAERN Cc1ccc(C(N)=S)c(O)c1 51598021 343290230 /nfs/dbraw/zinc/29/02/30/343290230.db2.gz VGJFDQZQGRSKIG-UHFFFAOYSA-N 0 0 167.233 1.335 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)oc(=O)n2C 51362507 343290280 /nfs/dbraw/zinc/29/02/80/343290280.db2.gz UOGSYNDFPSSGJD-ZCFIWIBFSA-N 0 0 193.202 1.185 10 0 ADAERN Clc1nc([C@H]2CCOC2)no1 51691348 343291626 /nfs/dbraw/zinc/29/16/26/343291626.db2.gz GHYCVIHYZJYKDR-BYPYZUCNSA-N 0 0 174.587 1.227 10 0 ADAERN Clc1nc([C@@H]2CCOC2)no1 51691346 343291627 /nfs/dbraw/zinc/29/16/27/343291627.db2.gz GHYCVIHYZJYKDR-SCSAIBSYSA-N 0 0 174.587 1.227 10 0 ADAERN CC[C@H](C)c1nc(C)cc(N)n1 51690785 343291639 /nfs/dbraw/zinc/29/16/39/343291639.db2.gz BWRYXHDSKASIEE-LURJTMIESA-N 0 0 165.240 1.881 10 0 ADAERN CCc1cc(N)nc([C@H]2CCOC2)n1 51691696 343291728 /nfs/dbraw/zinc/29/17/28/343291728.db2.gz WHSZKSYWCDSWTE-ZETCQYMHSA-N 0 0 193.250 1.125 10 0 ADAERN CCc1ccc(C(N)=S)o1 51722186 343292169 /nfs/dbraw/zinc/29/21/69/343292169.db2.gz QEBHBDHZPWPXDG-UHFFFAOYSA-N 0 0 155.222 1.476 10 0 ADAERN Cc1cc(Cl)nc([C@@H]2CCOC2)n1 51691298 343291875 /nfs/dbraw/zinc/29/18/75/343291875.db2.gz XRZUGZVVCNXDHC-SSDOTTSWSA-N 0 0 198.653 1.942 10 0 ADAERN Cc1cc(Cl)nc([C@H]2CCOC2)n1 51691300 343291878 /nfs/dbraw/zinc/29/18/78/343291878.db2.gz XRZUGZVVCNXDHC-ZETCQYMHSA-N 0 0 198.653 1.942 10 0 ADAERN CCc1cc(N)nc([C@@H]2CCOC2)n1 51691694 343291886 /nfs/dbraw/zinc/29/18/86/343291886.db2.gz WHSZKSYWCDSWTE-SSDOTTSWSA-N 0 0 193.250 1.125 10 0 ADAERN CCc1ccc([C@@H](N)C(=O)OC)s1 51720122 343292107 /nfs/dbraw/zinc/29/21/07/343292107.db2.gz QSLZTHHBKMOWDK-MRVPVSSYSA-N 0 0 199.275 1.483 10 0 ADAERN CCc1ccc(-c2nccc(N)n2)o1 51723189 343292116 /nfs/dbraw/zinc/29/21/16/343292116.db2.gz UUYILLIYDWRTGS-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CCc1ccc(C(N)=S)s1 51716775 343292149 /nfs/dbraw/zinc/29/21/49/343292149.db2.gz LUQPUGKEICSQAU-UHFFFAOYSA-N 0 0 171.290 1.945 10 0 ADAERN CCc1ccc(Cn2nccc2N)o1 51725140 343292162 /nfs/dbraw/zinc/29/21/62/343292162.db2.gz PVFATAHASYWKJK-UHFFFAOYSA-N 0 0 191.234 1.669 10 0 ADAERN CCc1ccc(C(=N)OC)o1 51722576 343292167 /nfs/dbraw/zinc/29/21/67/343292167.db2.gz ZHCPSYIHHGCZAV-UHFFFAOYSA-N 0 0 153.181 1.814 10 0 ADAERN CCc1ccc(-c2nsc(N)n2)o1 51722346 343292239 /nfs/dbraw/zinc/29/22/39/343292239.db2.gz JQBHMNHTTJCOGF-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CCc1ccc([C@@H](N)CC(=O)OC)o1 51721987 343292285 /nfs/dbraw/zinc/29/22/85/343292285.db2.gz ZLEVAPSZCKRZOO-QMMMGPOBSA-N 0 0 197.234 1.405 10 0 ADAERN CCc1ccc([C@H](N)C(=O)OC)s1 51720120 343292301 /nfs/dbraw/zinc/29/23/01/343292301.db2.gz QSLZTHHBKMOWDK-QMMMGPOBSA-N 0 0 199.275 1.483 10 0 ADAERN CCc1ccc(-c2ncc(N)cn2)o1 51722269 343292326 /nfs/dbraw/zinc/29/23/26/343292326.db2.gz WITNACJNEQLHMR-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN C[C@H]1CC[N@H+](CC(=O)[O-])[C@H](C)C1 51733252 343292521 /nfs/dbraw/zinc/29/25/21/343292521.db2.gz FJHWBDSQJRKHRQ-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CCN(C(N)=S)[C@@H](C)C1 51731782 343292768 /nfs/dbraw/zinc/29/27/68/343292768.db2.gz NGEGCLOHGLABAM-BQBZGAKWSA-N 0 0 172.297 1.350 10 0 ADAERN C[C@H]1CCN(C(N)=S)[C@H](C)C1 51731779 343292770 /nfs/dbraw/zinc/29/27/70/343292770.db2.gz NGEGCLOHGLABAM-NKWVEPMBSA-N 0 0 172.297 1.350 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C[C@H]1C 51733258 343292794 /nfs/dbraw/zinc/29/27/94/343292794.db2.gz YZZJZSONDHHPAY-HLTSFMKQSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@H]1C[C@H](C)CCN1C(N)=S 51731780 343292834 /nfs/dbraw/zinc/29/28/34/343292834.db2.gz NGEGCLOHGLABAM-RQJHMYQMSA-N 0 0 172.297 1.350 10 0 ADAERN C[C@H]1CCN(C(N)=O)[C@@H](C)C1 51731858 343292890 /nfs/dbraw/zinc/29/28/90/343292890.db2.gz AZVXXEKGMVYRHR-BQBZGAKWSA-N 0 0 156.229 1.186 10 0 ADAERN C[C@@H]1CC[N@@H+](C[C@@H](C)C(=O)[O-])[C@H](C)C1 51733331 343292932 /nfs/dbraw/zinc/29/29/32/343292932.db2.gz CPIOLWCURLESGA-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN CNC(=O)CCNc1ccccc1F 51758229 343293038 /nfs/dbraw/zinc/29/30/38/343293038.db2.gz MACSEDWOWSLEPM-UHFFFAOYSA-N 0 0 196.225 1.374 10 0 ADAERN CNC(=O)CCNc1ccc(F)cc1 51758216 343293311 /nfs/dbraw/zinc/29/33/11/343293311.db2.gz LDYLAZZGSOZLFN-UHFFFAOYSA-N 0 0 196.225 1.374 10 0 ADAERN Cc1cccnc1-c1nnc(N)o1 51793803 343293407 /nfs/dbraw/zinc/29/34/07/343293407.db2.gz XPAMCSQQOYTQRE-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCN1CCC(=O)N(C(C)C)C1=O 51784586 343293478 /nfs/dbraw/zinc/29/34/78/343293478.db2.gz YVWAHRLTPJXDCL-UHFFFAOYSA-N 0 0 184.239 1.069 10 0 ADAERN CCCN1C(=O)CCN(CC)C1=O 51784571 343293515 /nfs/dbraw/zinc/29/35/15/343293515.db2.gz YVZSZRXVVXNZPS-UHFFFAOYSA-N 0 0 184.239 1.071 10 0 ADAERN Cc1cccnc1-c1n[nH]c(=S)[nH]1 51813413 343293564 /nfs/dbraw/zinc/29/35/64/343293564.db2.gz DKTNKSWFMTVZOK-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN c1c[nH]c(CNc2cn[nH]c2)c1 51788228 343293577 /nfs/dbraw/zinc/29/35/77/343293577.db2.gz NAIHNDOLNRCLPJ-UHFFFAOYSA-N 0 0 162.196 1.350 10 0 ADAERN Cc1n[nH]c(C)c1NCc1ccc[nH]1 51788230 343293597 /nfs/dbraw/zinc/29/35/97/343293597.db2.gz CLCQOSYHUDXRKQ-UHFFFAOYSA-N 0 0 190.250 1.967 10 0 ADAERN Cc1cccnc1C1N=NC(=S)O1 51813381 343293601 /nfs/dbraw/zinc/29/36/01/343293601.db2.gz SMHRJPZKJSWJHL-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN C[C@H](O)CN(C)c1ccc(N)cc1F 51819671 343293841 /nfs/dbraw/zinc/29/38/41/343293841.db2.gz KBQCLVQHWXDIQO-ZETCQYMHSA-N 0 0 198.241 1.225 10 0 ADAERN Cc1cc(N)ccc1N(C)C[C@@H](C)O 51819685 343294017 /nfs/dbraw/zinc/29/40/17/343294017.db2.gz RJTQKDNLGCEMHN-SECBINFHSA-N 0 0 194.278 1.394 10 0 ADAERN Cc1cc(N)ccc1N(C)C[C@H](C)O 51819686 343294110 /nfs/dbraw/zinc/29/41/10/343294110.db2.gz RJTQKDNLGCEMHN-VIFPVBQESA-N 0 0 194.278 1.394 10 0 ADAERN Cc1cccnc1N(C)C[C@H](C)O 51821138 343294185 /nfs/dbraw/zinc/29/41/85/343294185.db2.gz HVYNAYULIPVOBH-VIFPVBQESA-N 0 0 180.251 1.207 10 0 ADAERN CC(C)N(C)c1ccnc(Cl)n1 51849309 343294586 /nfs/dbraw/zinc/29/45/86/343294586.db2.gz KOEBWZJUCGSYAS-UHFFFAOYSA-N 0 0 185.658 1.975 10 0 ADAERN Cc1ncn([C@@H](C)C(N)=S)c1C 51927064 343295903 /nfs/dbraw/zinc/29/59/03/343295903.db2.gz DUDYVLDDOYTCSG-ZETCQYMHSA-N 0 0 183.280 1.347 10 0 ADAERN Cc1ncn([C@@H](C)CC(N)=S)c1C 51927062 343295919 /nfs/dbraw/zinc/29/59/19/343295919.db2.gz AWKDIWXVVPWNPO-LURJTMIESA-N 0 0 197.307 1.737 10 0 ADAERN CC(=O)[C@H](C)n1cnc(C)c1C 51927325 343296061 /nfs/dbraw/zinc/29/60/61/343296061.db2.gz ZOUGAKKAGBYPMV-QMMMGPOBSA-N 0 0 166.224 1.650 10 0 ADAERN Cc1ncn([C@H](C)C(N)=S)c1C 51927065 343296075 /nfs/dbraw/zinc/29/60/75/343296075.db2.gz DUDYVLDDOYTCSG-SSDOTTSWSA-N 0 0 183.280 1.347 10 0 ADAERN Cc1ncn(CCC(N)=S)c1C 51927035 343296129 /nfs/dbraw/zinc/29/61/29/343296129.db2.gz NWAINDFMHPMFQC-UHFFFAOYSA-N 0 0 183.280 1.176 10 0 ADAERN Cc1ncn(-c2ccc(N)nc2)c1C 51925489 343296164 /nfs/dbraw/zinc/29/61/64/343296164.db2.gz MHNKXGMUISKWGT-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ncn(-c2ncccc2N)c1C 51925448 343296185 /nfs/dbraw/zinc/29/61/85/343296185.db2.gz LLBVWBXAMNLOSG-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ncn([C@H](C)CC(N)=S)c1C 51927063 343296194 /nfs/dbraw/zinc/29/61/94/343296194.db2.gz AWKDIWXVVPWNPO-ZCFIWIBFSA-N 0 0 197.307 1.737 10 0 ADAERN Cc1nc(-c2ncc[nH]2)ccc1F 51951693 343296387 /nfs/dbraw/zinc/29/63/87/343296387.db2.gz POUGFEKGDNKGLH-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN CC[C@H](O)[C@H](C)n1cnc(C)c1C 51927861 343296622 /nfs/dbraw/zinc/29/66/22/343296622.db2.gz KFXVSVQUJKMYPA-UWVGGRQHSA-N 0 0 182.267 1.832 10 0 ADAERN CCC(=O)Cn1cnc(C)c1C 51927394 343296634 /nfs/dbraw/zinc/29/66/34/343296634.db2.gz GNRZMBCAPYOUGZ-UHFFFAOYSA-N 0 0 166.224 1.479 10 0 ADAERN CC[C@@H](O)[C@H](C)n1cnc(C)c1C 51927862 343296655 /nfs/dbraw/zinc/29/66/55/343296655.db2.gz KFXVSVQUJKMYPA-VHSXEESVSA-N 0 0 182.267 1.832 10 0 ADAERN CC[C@H](O)[C@@H](C)n1cnc(C)c1C 51927859 343296670 /nfs/dbraw/zinc/29/66/70/343296670.db2.gz KFXVSVQUJKMYPA-ZJUUUORDSA-N 0 0 182.267 1.832 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1cnc(C)c1C 51927860 343296676 /nfs/dbraw/zinc/29/66/76/343296676.db2.gz KFXVSVQUJKMYPA-NXEZZACHSA-N 0 0 182.267 1.832 10 0 ADAERN Cc1nc(Cl)c2onc(C)c2n1 51971781 343297186 /nfs/dbraw/zinc/29/71/86/343297186.db2.gz CSMZHHKCFJVYJS-UHFFFAOYSA-N 0 0 183.598 1.888 10 0 ADAERN CCCC(=O)N[C@@H]1CCCC[C@@H]1O 51989711 343297275 /nfs/dbraw/zinc/29/72/75/343297275.db2.gz HAKMNRXWOHHKOQ-BDAKNGLRSA-N 0 0 185.267 1.206 10 0 ADAERN Cc1nccn1-c1cc(F)ccc1N 52122196 343300254 /nfs/dbraw/zinc/30/02/54/343300254.db2.gz DJTMAIVZQPVYEV-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CCc1ccccc1CNN 52204254 343301789 /nfs/dbraw/zinc/30/17/89/343301789.db2.gz MMLGNRLSWLNXIS-UHFFFAOYSA-N 0 0 150.225 1.212 10 0 ADAERN CN(C)c1cc(F)ccc1N 52118889 343300333 /nfs/dbraw/zinc/30/03/33/343300333.db2.gz ZQHLYMHKVBNJNA-UHFFFAOYSA-N 0 0 154.188 1.474 10 0 ADAERN C[C@H](O)CNc1cc(F)ccc1N 52120204 343300349 /nfs/dbraw/zinc/30/03/49/343300349.db2.gz FDQAWDDVSHOQGN-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN CC[C@H](CO)Nc1cc(F)ccc1N 52120188 343300453 /nfs/dbraw/zinc/30/04/53/343300453.db2.gz IGBKWZNCZWLRLC-MRVPVSSYSA-N 0 0 198.241 1.591 10 0 ADAERN CC[C@@H](CO)Nc1cc(F)ccc1N 52120185 343300457 /nfs/dbraw/zinc/30/04/57/343300457.db2.gz IGBKWZNCZWLRLC-QMMMGPOBSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@H](O)CCC1CCOCC1 52175106 343301458 /nfs/dbraw/zinc/30/14/58/343301458.db2.gz QFOMESDCMIXYRJ-QMMMGPOBSA-N 0 0 158.241 1.574 10 0 ADAERN CCc1ccccc1[C@H]([NH3+])C(=O)[O-] 52204256 343301722 /nfs/dbraw/zinc/30/17/22/343301722.db2.gz SECDHIOTYCLRES-VIFPVBQESA-N 0 0 179.219 1.333 10 0 ADAERN Cc1cc(N)nc(C2CCOCC2)n1 52177303 343301847 /nfs/dbraw/zinc/30/18/47/343301847.db2.gz BOFJMGFNJAXWAE-UHFFFAOYSA-N 0 0 193.250 1.261 10 0 ADAERN CCc1ccccc1[C@@H]([NH3+])C(=O)[O-] 52204258 343301931 /nfs/dbraw/zinc/30/19/31/343301931.db2.gz SECDHIOTYCLRES-SECBINFHSA-N 0 0 179.219 1.333 10 0 ADAERN Cc1nn(C)c(NC2CCC2)c1N 52207660 343302113 /nfs/dbraw/zinc/30/21/13/343302113.db2.gz KBGIQMYGKJVOQL-UHFFFAOYSA-N 0 0 180.255 1.275 10 0 ADAERN Cc1n[nH]c(=S)n1C1CCC1 52211827 343302378 /nfs/dbraw/zinc/30/23/78/343302378.db2.gz LINOOCKJXAQBFE-UHFFFAOYSA-N 0 0 169.253 1.974 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1cccc(N)c1 52268217 343302936 /nfs/dbraw/zinc/30/29/36/343302936.db2.gz CCCBXPSPDLZCMZ-OIBJUYFYSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1ccc(N)cc1 52268166 343302997 /nfs/dbraw/zinc/30/29/97/343302997.db2.gz ZQHSBPBAZMTLFK-OIBJUYFYSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(N)cc1 52268162 343303106 /nfs/dbraw/zinc/30/31/06/343303106.db2.gz ZQHSBPBAZMTLFK-XVKPBYJWSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1sccc1N 52268724 343303116 /nfs/dbraw/zinc/30/31/16/343303116.db2.gz GXCPKHZBOALZKH-FSPLSTOPSA-N 0 0 196.275 1.469 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1ccccc1N 52268238 343303141 /nfs/dbraw/zinc/30/31/41/343303141.db2.gz MKBFXEJZNSWDQP-OIBJUYFYSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccc(N)cn1 52273647 343303430 /nfs/dbraw/zinc/30/34/30/343303430.db2.gz DYSQADGGNRNBAU-XPUUQOCRSA-N 0 0 163.224 1.484 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncccc1N 52273494 343303479 /nfs/dbraw/zinc/30/34/79/343303479.db2.gz PFWVDJUQEBIPFJ-XPUUQOCRSA-N 0 0 163.224 1.484 10 0 ADAERN Cc1nn(C)c(N[C@H]2C[C@@H]2C)c1N 52274297 343303841 /nfs/dbraw/zinc/30/38/41/343303841.db2.gz STZRONLKCKQDNF-FSPLSTOPSA-N 0 0 180.255 1.131 10 0 ADAERN C[C@H]1C[C@@H]1N1CCC(=O)CC1 52288661 343304211 /nfs/dbraw/zinc/30/42/11/343304211.db2.gz LGWBOCWSOJJSGQ-CBAPKCEASA-N 0 0 153.225 1.060 10 0 ADAERN C[C@H]1C[C@@H]1NCC(F)F 52288032 343304222 /nfs/dbraw/zinc/30/42/22/343304222.db2.gz SGOMASDZSVRKHK-WHFBIAKZSA-N 0 0 135.157 1.250 10 0 ADAERN C[C@H]1C[C@@H]1NCC(F)(F)F 52288219 343304255 /nfs/dbraw/zinc/30/42/55/343304255.db2.gz ZSBLFAGTVUTSPD-WHFBIAKZSA-N 0 0 153.147 1.547 10 0 ADAERN Cc1nc(CN[C@H]2C[C@@H]2C)oc1C 52288052 343304258 /nfs/dbraw/zinc/30/42/58/343304258.db2.gz FGMMTXQFKGNKQP-RCOVLWMOSA-N 0 0 180.251 1.789 10 0 ADAERN Cc1nc(CN[C@H]2C[C@H]2C)oc1C 52288057 343304272 /nfs/dbraw/zinc/30/42/72/343304272.db2.gz FGMMTXQFKGNKQP-MUWHJKNJSA-N 0 0 180.251 1.789 10 0 ADAERN Cc1cc(N[C@@H]2C[C@@H]2C)ncn1 52290534 343304514 /nfs/dbraw/zinc/30/45/14/343304514.db2.gz IJQKXSZXWGBFAN-POYBYMJQSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1cc(N[C@@H]2C[C@H]2C)nc(C)n1 52291588 343304502 /nfs/dbraw/zinc/30/45/02/343304502.db2.gz NDRSFXSZPONZLV-HZGVNTEJSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cc(N[C@H]2C[C@@H]2C)nc(C)n1 52291585 343304508 /nfs/dbraw/zinc/30/45/08/343304508.db2.gz NDRSFXSZPONZLV-RCOVLWMOSA-N 0 0 177.251 1.914 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccnc(C(N)=O)c1 52291321 343304512 /nfs/dbraw/zinc/30/45/12/343304512.db2.gz OWXKDVOQCQXVOG-XPUUQOCRSA-N 0 0 191.234 1.001 10 0 ADAERN CCc1cc(N[C@H]2C[C@@H]2C)ncn1 52290559 343304560 /nfs/dbraw/zinc/30/45/60/343304560.db2.gz RIYMRRPKHJTCJG-CBAPKCEASA-N 0 0 177.251 1.859 10 0 ADAERN CCc1cc(N[C@H]2C[C@H]2C)ncn1 52290563 343304567 /nfs/dbraw/zinc/30/45/67/343304567.db2.gz RIYMRRPKHJTCJG-APPZFPTMSA-N 0 0 177.251 1.859 10 0 ADAERN Cc1ccc(N[C@@H]2C[C@H]2C)nn1 52290661 343304577 /nfs/dbraw/zinc/30/45/77/343304577.db2.gz VYWGOWZWBHCPQZ-HTRCEHHLSA-N 0 0 163.224 1.605 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccccn1 52290836 343304590 /nfs/dbraw/zinc/30/45/90/343304590.db2.gz VTVXWKOETNTMIH-YUMQZZPRSA-N 0 0 148.209 1.902 10 0 ADAERN C[C@H]1C[C@H]1Nc1ccccn1 52290842 343304593 /nfs/dbraw/zinc/30/45/93/343304593.db2.gz VTVXWKOETNTMIH-JGVFFNPUSA-N 0 0 148.209 1.902 10 0 ADAERN Cc1cc(N[C@H]2C[C@H]2C)nc(C)n1 52291589 343304599 /nfs/dbraw/zinc/30/45/99/343304599.db2.gz NDRSFXSZPONZLV-MUWHJKNJSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1ccc(N[C@H]2C[C@@H]2C)nn1 52290658 343304622 /nfs/dbraw/zinc/30/46/22/343304622.db2.gz VYWGOWZWBHCPQZ-XPUUQOCRSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1cc(N[C@H]2C[C@H]2C)ncn1 52290542 343304624 /nfs/dbraw/zinc/30/46/24/343304624.db2.gz IJQKXSZXWGBFAN-SVRRBLITSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1cc(C)nc(N[C@@H]2C[C@H]2C)n1 52291333 343304635 /nfs/dbraw/zinc/30/46/35/343304635.db2.gz DOEJUQFBKUZCCL-HZGVNTEJSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cc(N[C@@H]2C[C@@H]2C)nc(C)n1 52291582 343304658 /nfs/dbraw/zinc/30/46/58/343304658.db2.gz NDRSFXSZPONZLV-IMTBSYHQSA-N 0 0 177.251 1.914 10 0 ADAERN CCc1cc(N[C@@H]2C[C@H]2C)ncn1 52290561 343304666 /nfs/dbraw/zinc/30/46/66/343304666.db2.gz RIYMRRPKHJTCJG-VXNVDRBHSA-N 0 0 177.251 1.859 10 0 ADAERN Cc1ccc(N[C@H]2C[C@H]2C)nn1 52290664 343304670 /nfs/dbraw/zinc/30/46/70/343304670.db2.gz VYWGOWZWBHCPQZ-SVRRBLITSA-N 0 0 163.224 1.605 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncnc2nc[nH]c12 52291619 343304819 /nfs/dbraw/zinc/30/48/19/343304819.db2.gz KKVNLONOIVUPAN-PHDIDXHHSA-N 0 0 189.222 1.173 10 0 ADAERN C[C@H]1C[C@@H]1Nc1nccs1 52291808 343304835 /nfs/dbraw/zinc/30/48/35/343304835.db2.gz SFVGUZNGKKBMQC-WDSKDSINSA-N 0 0 154.238 1.963 10 0 ADAERN Cc1n[nH]c(=S)n1[C@H]1C[C@H]1C 52292867 343304861 /nfs/dbraw/zinc/30/48/61/343304861.db2.gz BMVLMKKFAJEKLU-XINAWCOVSA-N 0 0 169.253 1.830 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncnc2nc[nH]c12 52291616 343304874 /nfs/dbraw/zinc/30/48/74/343304874.db2.gz KKVNLONOIVUPAN-WDSKDSINSA-N 0 0 189.222 1.173 10 0 ADAERN C[C@H]1C[C@H]1n1cn[nH]c1=S 52292934 343304888 /nfs/dbraw/zinc/30/48/88/343304888.db2.gz VCXWSOKTZPHYRT-CRCLSJGQSA-N 0 0 155.226 1.522 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cnccn1 52291745 343304912 /nfs/dbraw/zinc/30/49/12/343304912.db2.gz JCSRZSPPTVORSR-BQBZGAKWSA-N 0 0 149.197 1.297 10 0 ADAERN C[C@H]1C[C@@H]1NC1N=NC(=S)S1 52292506 343304922 /nfs/dbraw/zinc/30/49/22/343304922.db2.gz VBDCPKGIUOFJSB-IMJSIDKUSA-N 0 0 187.293 1.647 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncnc2nc[nH]c12 52291622 343304955 /nfs/dbraw/zinc/30/49/55/343304955.db2.gz KKVNLONOIVUPAN-NTSWFWBYSA-N 0 0 189.222 1.173 10 0 ADAERN Cc1n[nH]c(=S)n1[C@H]1C[C@@H]1C 52292862 343304962 /nfs/dbraw/zinc/30/49/62/343304962.db2.gz BMVLMKKFAJEKLU-NJGYIYPDSA-N 0 0 169.253 1.830 10 0 ADAERN C[C@H]1C[C@H]1Nc1nccs1 52291813 343304971 /nfs/dbraw/zinc/30/49/71/343304971.db2.gz SFVGUZNGKKBMQC-NTSWFWBYSA-N 0 0 154.238 1.963 10 0 ADAERN Cc1n[nH]c(=S)n1[C@@H]1C[C@H]1C 52292864 343304976 /nfs/dbraw/zinc/30/49/76/343304976.db2.gz BMVLMKKFAJEKLU-INEUFUBQSA-N 0 0 169.253 1.830 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncccc1C(N)=O 52291834 343305012 /nfs/dbraw/zinc/30/50/12/343305012.db2.gz FXTJKDVQEJCUAE-POYBYMJQSA-N 0 0 191.234 1.001 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncccn1 52291765 343305018 /nfs/dbraw/zinc/30/50/18/343305018.db2.gz YCRGTUDLSCVOTM-BQBZGAKWSA-N 0 0 149.197 1.297 10 0 ADAERN C[C@@H]1C[C@H]1n1cn[nH]c1=S 52292931 343305040 /nfs/dbraw/zinc/30/50/40/343305040.db2.gz VCXWSOKTZPHYRT-RFZPGFLSSA-N 0 0 155.226 1.522 10 0 ADAERN C[C@H]1C[C@H]1NC1N=NC(=S)S1 52292510 343305053 /nfs/dbraw/zinc/30/50/53/343305053.db2.gz VBDCPKGIUOFJSB-IUYQGCFVSA-N 0 0 187.293 1.647 10 0 ADAERN C[C@H]1C[C@@H]1n1cn[nH]c1=S 52292928 343305054 /nfs/dbraw/zinc/30/50/54/343305054.db2.gz VCXWSOKTZPHYRT-WHFBIAKZSA-N 0 0 155.226 1.522 10 0 ADAERN C[C@@H]1C[C@@H]1n1cn[nH]c1=S 52292925 343305056 /nfs/dbraw/zinc/30/50/56/343305056.db2.gz VCXWSOKTZPHYRT-UHNVWZDZSA-N 0 0 155.226 1.522 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cncc(Cl)n1 52297974 343305137 /nfs/dbraw/zinc/30/51/37/343305137.db2.gz BESVQNMVPRIXEM-WDSKDSINSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccnc(Cl)n1 52297909 343305139 /nfs/dbraw/zinc/30/51/39/343305139.db2.gz UVEDNEXEOIUZDK-WDSKDSINSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@H]1Nc1cncc(Cl)n1 52297979 343305141 /nfs/dbraw/zinc/30/51/41/343305141.db2.gz BESVQNMVPRIXEM-NTSWFWBYSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@H]1Nc1cc(Cl)ncn1 52297969 343305195 /nfs/dbraw/zinc/30/51/95/343305195.db2.gz MUIWHVMEQSJXME-NTSWFWBYSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@H]1Nc1nccnc1Cl 52297992 343305251 /nfs/dbraw/zinc/30/52/51/343305251.db2.gz MDISHIFOZZDFGU-NTSWFWBYSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@H]1n1cccc1C=O 52297793 343305269 /nfs/dbraw/zinc/30/52/69/343305269.db2.gz ATYZKTZGKQBLCX-VXNVDRBHSA-N 0 0 149.193 1.882 10 0 ADAERN C[C@@H]1C[C@@H]1n1cccc1C=O 52297789 343305328 /nfs/dbraw/zinc/30/53/28/343305328.db2.gz ATYZKTZGKQBLCX-APPZFPTMSA-N 0 0 149.193 1.882 10 0 ADAERN C[C@H]1C[C@@H]1n1cccc1C=O 52297791 343305353 /nfs/dbraw/zinc/30/53/53/343305353.db2.gz ATYZKTZGKQBLCX-CBAPKCEASA-N 0 0 149.193 1.882 10 0 ADAERN C[C@H]1C[C@H]1n1cccc1C=O 52297796 343305369 /nfs/dbraw/zinc/30/53/69/343305369.db2.gz ATYZKTZGKQBLCX-IONNQARKSA-N 0 0 149.193 1.882 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cc(Cl)ncn1 52297964 343305377 /nfs/dbraw/zinc/30/53/77/343305377.db2.gz MUIWHVMEQSJXME-WDSKDSINSA-N 0 0 183.642 1.950 10 0 ADAERN CC(C)CCn1ccc(=O)[nH]c1=S 52312529 343305623 /nfs/dbraw/zinc/30/56/23/343305623.db2.gz JWYUFQDIHDRRCR-UHFFFAOYSA-N 0 0 198.291 1.952 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@H]1C 52299194 343305552 /nfs/dbraw/zinc/30/55/52/343305552.db2.gz CWNNALUEUUDNTF-SVGQVSJJSA-N 0 0 193.250 1.165 10 0 ADAERN CC[C@@H](C)n1ccc(=O)[nH]c1=S 52312612 343305553 /nfs/dbraw/zinc/30/55/53/343305553.db2.gz BLAOVIBWWWVVBM-ZCFIWIBFSA-N 0 0 184.264 1.877 10 0 ADAERN O=c1ccn(CC2CC2)c(=S)[nH]1 52312486 343305573 /nfs/dbraw/zinc/30/55/73/343305573.db2.gz QDQURLCFNBAAMM-UHFFFAOYSA-N 0 0 182.248 1.316 10 0 ADAERN Cc1cc(=S)n(-c2ccncc2)[nH]1 52305419 343305580 /nfs/dbraw/zinc/30/55/80/343305580.db2.gz HBCIOCWINMPROO-UHFFFAOYSA-N 0 0 191.259 1.864 10 0 ADAERN CC1=NN(c2ncccn2)C(=S)C1 52305333 343305586 /nfs/dbraw/zinc/30/55/86/343305586.db2.gz ULTWTZQYNQRQMO-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN CC[C@H](C)n1ccc(=O)[nH]c1=S 52312614 343305609 /nfs/dbraw/zinc/30/56/09/343305609.db2.gz BLAOVIBWWWVVBM-LURJTMIESA-N 0 0 184.264 1.877 10 0 ADAERN O=c1ccn(CC2CCC2)c(=S)[nH]1 52312775 343305614 /nfs/dbraw/zinc/30/56/14/343305614.db2.gz PDGISXDMHVLEQD-UHFFFAOYSA-N 0 0 196.275 1.706 10 0 ADAERN CC(C)(C)n1ccc(=O)[nH]c1=S 52312488 343305632 /nfs/dbraw/zinc/30/56/32/343305632.db2.gz YABUFDVILQFNSU-UHFFFAOYSA-N 0 0 184.264 1.661 10 0 ADAERN CCn1[nH]c(COC)cc1=S 52305663 343305641 /nfs/dbraw/zinc/30/56/41/343305641.db2.gz XTQQCDYDPBJOMZ-UHFFFAOYSA-N 0 0 172.253 1.338 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@H]1C 52299197 343305648 /nfs/dbraw/zinc/30/56/48/343305648.db2.gz CWNNALUEUUDNTF-XRGYYRRGSA-N 0 0 193.250 1.165 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)N[C@@H]1C[C@@H]1C 52299189 343305664 /nfs/dbraw/zinc/30/56/64/343305664.db2.gz CWNNALUEUUDNTF-YLWLKBPMSA-N 0 0 193.250 1.165 10 0 ADAERN CC(C)Cn1ccc(=O)[nH]c1=S 52312647 343305665 /nfs/dbraw/zinc/30/56/65/343305665.db2.gz AGOZADGVHXMUKR-UHFFFAOYSA-N 0 0 184.264 1.562 10 0 ADAERN CCc1cc(=S)n(CC)[nH]1 52305658 343305676 /nfs/dbraw/zinc/30/56/76/343305676.db2.gz RDRRUHLTFIRFPO-UHFFFAOYSA-N 0 0 156.254 1.754 10 0 ADAERN CC(=O)CSc1cc(C)nn1C 52310906 343305762 /nfs/dbraw/zinc/30/57/62/343305762.db2.gz GYSCEXAXLAKABH-UHFFFAOYSA-N 0 0 184.264 1.410 10 0 ADAERN CCn1[nH]c(C)cc1=S 52305645 343305772 /nfs/dbraw/zinc/30/57/72/343305772.db2.gz XYYSENJAWZOJRS-UHFFFAOYSA-N 0 0 142.227 1.500 10 0 ADAERN CCCn1[nH]c(C)cc1=S 52305669 343305789 /nfs/dbraw/zinc/30/57/89/343305789.db2.gz SBKVJXMUZIBHBW-UHFFFAOYSA-N 0 0 156.254 1.890 10 0 ADAERN COCc1cc(=S)n(C(C)C)[nH]1 52305598 343305801 /nfs/dbraw/zinc/30/58/01/343305801.db2.gz PKLKEAKFPIMMPM-UHFFFAOYSA-N 0 0 186.280 1.899 10 0 ADAERN CCCc1cc(=S)n(C)[nH]1 52304940 343305814 /nfs/dbraw/zinc/30/58/14/343305814.db2.gz LTLRBXNYYAPXJO-UHFFFAOYSA-N 0 0 156.254 1.661 10 0 ADAERN CC(=O)[C@H](C)Sc1cc(C)nn1C 52310857 343305824 /nfs/dbraw/zinc/30/58/24/343305824.db2.gz HTPBEJGADUKOJT-QMMMGPOBSA-N 0 0 198.291 1.798 10 0 ADAERN CCc1cc(=S)n(C)[nH]1 52304946 343305825 /nfs/dbraw/zinc/30/58/25/343305825.db2.gz CFBGRXXCOPQHMP-UHFFFAOYSA-N 0 0 142.227 1.271 10 0 ADAERN C[C@@H](C1CC1)n1ccc(=O)[nH]c1=S 52312812 343305852 /nfs/dbraw/zinc/30/58/52/343305852.db2.gz UXWMKNYCQGKEGK-LURJTMIESA-N 0 0 196.275 1.877 10 0 ADAERN CC1=NN(c2ccccn2)C(=S)C1 52304975 343305871 /nfs/dbraw/zinc/30/58/71/343305871.db2.gz XSYLVNRNXIUEJH-UHFFFAOYSA-N 0 0 191.259 1.864 10 0 ADAERN CC(=O)[C@@H](C)Sc1cc(C)nn1C 52310860 343305876 /nfs/dbraw/zinc/30/58/76/343305876.db2.gz HTPBEJGADUKOJT-MRVPVSSYSA-N 0 0 198.291 1.798 10 0 ADAERN C[C@H](C1CC1)n1ccc(=O)[nH]c1=S 52312814 343305882 /nfs/dbraw/zinc/30/58/82/343305882.db2.gz UXWMKNYCQGKEGK-ZCFIWIBFSA-N 0 0 196.275 1.877 10 0 ADAERN O=c1ccn(C2CCC2)c(=S)[nH]1 52312981 343306114 /nfs/dbraw/zinc/30/61/14/343306114.db2.gz ILMBOVLZMCRLOV-UHFFFAOYSA-N 0 0 182.248 1.631 10 0 ADAERN N#CNCCc1cccs1 52832190 343307742 /nfs/dbraw/zinc/30/77/42/343307742.db2.gz BLWUDWYCXVFUJR-UHFFFAOYSA-N 0 0 152.222 1.361 10 0 ADAERN CC1(C)C[C@@H]1n1ccc(=O)[nH]c1=S 52313083 343306155 /nfs/dbraw/zinc/30/61/55/343306155.db2.gz DHGRXQIIXQFPKK-LURJTMIESA-N 0 0 196.275 1.877 10 0 ADAERN C[C@H]1C[C@@H]1n1ccc(=O)[nH]c1=S 52312988 343306179 /nfs/dbraw/zinc/30/61/79/343306179.db2.gz IHJQMSCVTYSEML-WDSKDSINSA-N 0 0 182.248 1.487 10 0 ADAERN C[C@@H](NC(N)=S)C1CCCCC1 52341095 343306210 /nfs/dbraw/zinc/30/62/10/343306210.db2.gz TYAWZWJDUJKQBB-SSDOTTSWSA-N 0 0 186.324 1.788 10 0 ADAERN C[C@@H]1C[C@H]1n1ccc(=O)[nH]c1=S 52312990 343306220 /nfs/dbraw/zinc/30/62/20/343306220.db2.gz IHJQMSCVTYSEML-PHDIDXHHSA-N 0 0 182.248 1.487 10 0 ADAERN Cc1cccc(Cc2noc(N)n2)c1 52708825 343306413 /nfs/dbraw/zinc/30/64/13/343306413.db2.gz JUCYEDDDTLJROT-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN Cc1cccnc1-c1noc(N)n1 52708837 343306537 /nfs/dbraw/zinc/30/65/37/343306537.db2.gz YVMOFOBZBRWZIK-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CN(C)Cc1cccnc1Cl 52709012 343306539 /nfs/dbraw/zinc/30/65/39/343306539.db2.gz AKENKXLJDJVWED-UHFFFAOYSA-N 0 0 170.643 1.797 10 0 ADAERN C[C@H]1CCC[C@@H](c2noc(N)n2)C1 52708815 343306571 /nfs/dbraw/zinc/30/65/71/343306571.db2.gz QBPPEAKAGIFUFS-NKWVEPMBSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@H]1CCC[C@H](c2noc(N)n2)C1 52708812 343306573 /nfs/dbraw/zinc/30/65/73/343306573.db2.gz QBPPEAKAGIFUFS-BQBZGAKWSA-N 0 0 181.239 1.946 10 0 ADAERN CC(C)OCc1ccnc(N)c1 52754867 343307158 /nfs/dbraw/zinc/30/71/58/343307158.db2.gz GBRRDCVFAYSXAZ-UHFFFAOYSA-N 0 0 166.224 1.589 10 0 ADAERN Cc1cnn(Cc2ccnc(N)c2)c1 52733540 343307162 /nfs/dbraw/zinc/30/71/62/343307162.db2.gz GAVZTOYMLLANAH-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CCN(C)c1cc(C)nc(Cl)n1 52814304 343307239 /nfs/dbraw/zinc/30/72/39/343307239.db2.gz KRLIPEBEVBSPAY-UHFFFAOYSA-N 0 0 185.658 1.895 10 0 ADAERN FC(F)(F)CNc1cccnn1 52815904 343307285 /nfs/dbraw/zinc/30/72/85/343307285.db2.gz PBOTZACDSLUWHG-UHFFFAOYSA-N 0 0 177.129 1.451 10 0 ADAERN Cc1cc(N)cnc1-n1ccnc1C 52813584 343307334 /nfs/dbraw/zinc/30/73/34/343307334.db2.gz JZUPZJBUSPUDHD-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cc(N)cnc1N(C)C(C)C 52812175 343307391 /nfs/dbraw/zinc/30/73/91/343307391.db2.gz SLQTXUYQCKNBQB-UHFFFAOYSA-N 0 0 179.267 1.817 10 0 ADAERN Cc1cc(N)cnc1N1CCC[C@H]1C 52812933 343307409 /nfs/dbraw/zinc/30/74/09/343307409.db2.gz LFGNPHQUGDHEMB-SECBINFHSA-N 0 0 191.278 1.961 10 0 ADAERN Cc1cc(-n2cncn2)nc(Cl)n1 52815114 343307421 /nfs/dbraw/zinc/30/74/21/343307421.db2.gz JQPUMEVMBSFKSG-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN CC(C)[C@H](C)Nc1cccnn1 52815971 343307427 /nfs/dbraw/zinc/30/74/27/343307427.db2.gz YTTMMNTUBDCJKG-QMMMGPOBSA-N 0 0 165.240 1.933 10 0 ADAERN CCCCNc1cccnn1 52815872 343307451 /nfs/dbraw/zinc/30/74/51/343307451.db2.gz VMFNEIXBVQXTDL-UHFFFAOYSA-N 0 0 151.213 1.689 10 0 ADAERN Cc1cc(N)c[nH]c1=S 52813814 343307457 /nfs/dbraw/zinc/30/74/57/343307457.db2.gz YPIICAVCVHTRPU-UHFFFAOYSA-N 0 0 140.211 1.635 10 0 ADAERN Cc1cc(N)cnc1-n1ccnc1 52813581 343307458 /nfs/dbraw/zinc/30/74/58/343307458.db2.gz JOAKCOZLFUNJOV-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cc(-c2ccnc(N)n2)c(C)o1 52811996 343307465 /nfs/dbraw/zinc/30/74/65/343307465.db2.gz RIKWJFVJWOGFSN-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN C[C@H](Nc1cccnn1)C1CC1 52816039 343307489 /nfs/dbraw/zinc/30/74/89/343307489.db2.gz GRHOIDFXHQAWJB-ZETCQYMHSA-N 0 0 163.224 1.687 10 0 ADAERN Cc1cc(N)cnc1N1CCC[C@@H]1C 52812932 343307527 /nfs/dbraw/zinc/30/75/27/343307527.db2.gz LFGNPHQUGDHEMB-VIFPVBQESA-N 0 0 191.278 1.961 10 0 ADAERN CC1CCC(NC#N)CC1 52832163 343307662 /nfs/dbraw/zinc/30/76/62/343307662.db2.gz AJZUYFFJGRSWEP-UHFFFAOYSA-N 0 0 138.214 1.636 10 0 ADAERN C[C@H]1C[C@H]1Nc1cccnn1 52831422 343307665 /nfs/dbraw/zinc/30/76/65/343307665.db2.gz RRXDSBBDTYAAHR-NKWVEPMBSA-N 0 0 149.197 1.297 10 0 ADAERN CCC[C@@H](C)NC#N 52832035 343307685 /nfs/dbraw/zinc/30/76/85/343307685.db2.gz PLORLRALFGNIJS-ZCFIWIBFSA-N 0 0 112.176 1.246 10 0 ADAERN COC[C@@H](C)CNc1cccnn1 52831341 343307686 /nfs/dbraw/zinc/30/76/86/343307686.db2.gz FMWHSQCPVVXMKV-QMMMGPOBSA-N 0 0 181.239 1.171 10 0 ADAERN COc1ccc(C)cc1NC#N 52832143 343307692 /nfs/dbraw/zinc/30/76/92/343307692.db2.gz KOCQJBCRVWCGFJ-UHFFFAOYSA-N 0 0 162.192 1.897 10 0 ADAERN CC(=O)Nc1ccc(NC#N)cc1 52832015 343307694 /nfs/dbraw/zinc/30/76/94/343307694.db2.gz MMPMOAKGIXYURV-UHFFFAOYSA-N 0 0 175.191 1.538 10 0 ADAERN CC(C)C[C@@H](CO)Nc1cccnn1 52831059 343307695 /nfs/dbraw/zinc/30/76/95/343307695.db2.gz YWIVYWZWJMCGMA-VIFPVBQESA-N 0 0 195.266 1.296 10 0 ADAERN Cc1cc(CNc2cccnn2)no1 52831306 343307703 /nfs/dbraw/zinc/30/77/03/343307703.db2.gz GWJGUDIYILTOAC-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN CCC(C)(C)NC#N 52832001 343307723 /nfs/dbraw/zinc/30/77/23/343307723.db2.gz FSQOKISBDZDJTH-UHFFFAOYSA-N 0 0 112.176 1.246 10 0 ADAERN CC(C)CCNC#N 52832119 343307726 /nfs/dbraw/zinc/30/77/26/343307726.db2.gz LPQMHKGPJOVPPR-UHFFFAOYSA-N 0 0 112.176 1.103 10 0 ADAERN C[C@H]1CCCC[C@@H]1NC#N 52832184 343307737 /nfs/dbraw/zinc/30/77/37/343307737.db2.gz UNTUVCYHTVHQPD-YUMQZZPRSA-N 0 0 138.214 1.636 10 0 ADAERN N#CNCc1ccccc1 52832017 343307763 /nfs/dbraw/zinc/30/77/63/343307763.db2.gz QIRSDXBXWUTMRE-UHFFFAOYSA-N 0 0 132.166 1.257 10 0 ADAERN COCCCCNc1cccnn1 52831288 343307768 /nfs/dbraw/zinc/30/77/68/343307768.db2.gz MPMSHTAJOGWURT-UHFFFAOYSA-N 0 0 181.239 1.315 10 0 ADAERN CCn1cc(Nc2cccnn2)cn1 52816059 343307772 /nfs/dbraw/zinc/30/77/72/343307772.db2.gz LQZQGCYARDDUKS-UHFFFAOYSA-N 0 0 189.222 1.437 10 0 ADAERN CCC[C@H](C)NC#N 52832037 343307776 /nfs/dbraw/zinc/30/77/76/343307776.db2.gz PLORLRALFGNIJS-LURJTMIESA-N 0 0 112.176 1.246 10 0 ADAERN CCC(CC)NC#N 52832010 343307780 /nfs/dbraw/zinc/30/77/80/343307780.db2.gz SODCETCTYKGJQA-UHFFFAOYSA-N 0 0 112.176 1.246 10 0 ADAERN C[C@@H]1CCCC[C@@H]1NC#N 52832183 343307797 /nfs/dbraw/zinc/30/77/97/343307797.db2.gz UNTUVCYHTVHQPD-SFYZADRCSA-N 0 0 138.214 1.636 10 0 ADAERN COc1ccc(NC#N)c(OC)c1 52832040 343307799 /nfs/dbraw/zinc/30/77/99/343307799.db2.gz QCUPEJHOGKEZNC-UHFFFAOYSA-N 0 0 178.191 1.597 10 0 ADAERN N#CNCCc1ccccc1F 52832125 343307816 /nfs/dbraw/zinc/30/78/16/343307816.db2.gz XBGYWECUVGZBPU-UHFFFAOYSA-N 0 0 164.183 1.439 10 0 ADAERN N#CNc1cc(F)cc(F)c1 52832217 343307824 /nfs/dbraw/zinc/30/78/24/343307824.db2.gz SCADSLATWRMKSK-UHFFFAOYSA-N 0 0 154.119 1.858 10 0 ADAERN C[C@@H]1CCCC[C@H]1NC#N 52832186 343307827 /nfs/dbraw/zinc/30/78/27/343307827.db2.gz UNTUVCYHTVHQPD-HTQZYQBOSA-N 0 0 138.214 1.636 10 0 ADAERN COC[C@H](C)CNc1cccnn1 52831343 343307829 /nfs/dbraw/zinc/30/78/29/343307829.db2.gz FMWHSQCPVVXMKV-MRVPVSSYSA-N 0 0 181.239 1.171 10 0 ADAERN CCCCOCCNc1cccnn1 52831016 343307844 /nfs/dbraw/zinc/30/78/44/343307844.db2.gz RDJOFALKJJTICU-UHFFFAOYSA-N 0 0 195.266 1.705 10 0 ADAERN COc1cc(NC#N)cc(OC)c1 52832105 343307846 /nfs/dbraw/zinc/30/78/46/343307846.db2.gz BDAPFELWUIJJQR-UHFFFAOYSA-N 0 0 178.191 1.597 10 0 ADAERN CC(=O)Nc1cccc(NC#N)c1 52832156 343307850 /nfs/dbraw/zinc/30/78/50/343307850.db2.gz FNESHIYBQWFWJN-UHFFFAOYSA-N 0 0 175.191 1.538 10 0 ADAERN C[C@H](Nc1cccnn1)[C@@H]1CCCO1 52816043 343307860 /nfs/dbraw/zinc/30/78/60/343307860.db2.gz BIIQTIZUXHFLNM-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN N#CNc1ccc2c(c1)OCCCO2 52832070 343307864 /nfs/dbraw/zinc/30/78/64/343307864.db2.gz SYGXQFBBFYDYRM-UHFFFAOYSA-N 0 0 190.202 1.741 10 0 ADAERN COc1ccccc1CNC#N 52832038 343307868 /nfs/dbraw/zinc/30/78/68/343307868.db2.gz AOLFMPGMCVTCJK-UHFFFAOYSA-N 0 0 162.192 1.266 10 0 ADAERN Oc1ccc(Oc2cccnn2)cc1 52831695 343307883 /nfs/dbraw/zinc/30/78/83/343307883.db2.gz UYKMCXBZRHEXAV-UHFFFAOYSA-N 0 0 188.186 1.975 10 0 ADAERN COc1ccc(CNC#N)cc1 52832104 343307887 /nfs/dbraw/zinc/30/78/87/343307887.db2.gz DNZRRVIGXWUQOO-UHFFFAOYSA-N 0 0 162.192 1.266 10 0 ADAERN C[C@H](Nc1cccnn1)[C@H]1CCCO1 52816047 343307892 /nfs/dbraw/zinc/30/78/92/343307892.db2.gz BIIQTIZUXHFLNM-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN N#CNc1ccc(F)cc1F 52832196 343307894 /nfs/dbraw/zinc/30/78/94/343307894.db2.gz OYKXODMCYDCOML-UHFFFAOYSA-N 0 0 154.119 1.858 10 0 ADAERN C[C@H]1CCCC[C@H]1NC#N 52832188 343307897 /nfs/dbraw/zinc/30/78/97/343307897.db2.gz UNTUVCYHTVHQPD-JGVFFNPUSA-N 0 0 138.214 1.636 10 0 ADAERN C[C@H](NC#N)c1ccco1 52832400 343308071 /nfs/dbraw/zinc/30/80/71/343308071.db2.gz LDROVIKWDXGCHT-LURJTMIESA-N 0 0 136.154 1.411 10 0 ADAERN N#CNCCC1CCCC1 52832482 343308077 /nfs/dbraw/zinc/30/80/77/343308077.db2.gz FQZXXRKWXSZTJY-UHFFFAOYSA-N 0 0 138.214 1.637 10 0 ADAERN N#CNCc1cccc(F)c1 52832278 343308080 /nfs/dbraw/zinc/30/80/80/343308080.db2.gz CJQICMNBYFPHBD-UHFFFAOYSA-N 0 0 150.156 1.396 10 0 ADAERN CN(C)c1ccc(NC#N)cc1 52832439 343308089 /nfs/dbraw/zinc/30/80/89/343308089.db2.gz HAEIJNMQQYVUAE-UHFFFAOYSA-N 0 0 161.208 1.646 10 0 ADAERN N#CNC[C@@H]1Cc2ccccc2O1 52832522 343308099 /nfs/dbraw/zinc/30/80/99/343308099.db2.gz COVSJKROUHQDSH-VIFPVBQESA-N 0 0 174.203 1.061 10 0 ADAERN C[C@@H]1CCC[C@H](NC#N)C1 52832326 343308105 /nfs/dbraw/zinc/30/81/05/343308105.db2.gz UTXBUTHKFRMZDH-SFYZADRCSA-N 0 0 138.214 1.636 10 0 ADAERN C[C@@H](NC#N)c1ccco1 52832402 343308107 /nfs/dbraw/zinc/30/81/07/343308107.db2.gz LDROVIKWDXGCHT-ZCFIWIBFSA-N 0 0 136.154 1.411 10 0 ADAERN N#CNCCc1cccc(F)c1 52832417 343308126 /nfs/dbraw/zinc/30/81/26/343308126.db2.gz SWTQCRPACRVSLE-UHFFFAOYSA-N 0 0 164.183 1.439 10 0 ADAERN N#CNC[C@H]1Cc2ccccc2O1 52832521 343308131 /nfs/dbraw/zinc/30/81/31/343308131.db2.gz COVSJKROUHQDSH-SECBINFHSA-N 0 0 174.203 1.061 10 0 ADAERN C[C@@H](NC#N)c1ccncc1 52832380 343308132 /nfs/dbraw/zinc/30/81/32/343308132.db2.gz PBFMXLLNLQGLLR-SSDOTTSWSA-N 0 0 147.181 1.213 10 0 ADAERN C[C@@H]1CCC[C@H](NC#N)[C@@H]1C 52832223 343308135 /nfs/dbraw/zinc/30/81/35/343308135.db2.gz ICKKSPUBQRVOHT-HLTSFMKQSA-N 0 0 152.241 1.882 10 0 ADAERN C[C@H](NC#N)c1cccnc1 52832375 343308136 /nfs/dbraw/zinc/30/81/36/343308136.db2.gz IHDQXKZPXNXSRU-ZETCQYMHSA-N 0 0 147.181 1.213 10 0 ADAERN C[C@@H](NC#N)c1cccs1 52832398 343308138 /nfs/dbraw/zinc/30/81/38/343308138.db2.gz DCHRVEQDYQDAFD-ZCFIWIBFSA-N 0 0 152.222 1.880 10 0 ADAERN CC(C)C[C@H](C)NC#N 52832339 343308139 /nfs/dbraw/zinc/30/81/39/343308139.db2.gz YFSLEFRDPVBXJA-ZETCQYMHSA-N 0 0 126.203 1.492 10 0 ADAERN CC(C)[C@@H](C)NC#N 52832297 343308141 /nfs/dbraw/zinc/30/81/41/343308141.db2.gz JZHZXTLACKKGKB-ZCFIWIBFSA-N 0 0 112.176 1.102 10 0 ADAERN Cc1cccc(CNC#N)c1 52832478 343308144 /nfs/dbraw/zinc/30/81/44/343308144.db2.gz JFXNCXVNQXFHDF-UHFFFAOYSA-N 0 0 146.193 1.566 10 0 ADAERN C[C@H](NC#N)c1ccncc1 52832378 343308146 /nfs/dbraw/zinc/30/81/46/343308146.db2.gz PBFMXLLNLQGLLR-ZETCQYMHSA-N 0 0 147.181 1.213 10 0 ADAERN C[C@@H](NC#N)c1ccccn1 52832384 343308150 /nfs/dbraw/zinc/30/81/50/343308150.db2.gz BKKSNMJXTAENGJ-SSDOTTSWSA-N 0 0 147.181 1.213 10 0 ADAERN C[C@@H]1CCC[C@@H](NC#N)C1 52832329 343308156 /nfs/dbraw/zinc/30/81/56/343308156.db2.gz UTXBUTHKFRMZDH-HTQZYQBOSA-N 0 0 138.214 1.636 10 0 ADAERN N#CNC1CCCCCC1 52832309 343308157 /nfs/dbraw/zinc/30/81/57/343308157.db2.gz QCALGOQMMKWMIJ-UHFFFAOYSA-N 0 0 138.214 1.780 10 0 ADAERN C[C@H](NC#N)c1cccs1 52832396 343308160 /nfs/dbraw/zinc/30/81/60/343308160.db2.gz DCHRVEQDYQDAFD-LURJTMIESA-N 0 0 152.222 1.880 10 0 ADAERN COc1ccc(NC#N)cc1C 52832791 343308396 /nfs/dbraw/zinc/30/83/96/343308396.db2.gz CWQYNXYOLLHGBW-UHFFFAOYSA-N 0 0 162.192 1.897 10 0 ADAERN CC[C@@H](NC#N)C(C)C 52832699 343308418 /nfs/dbraw/zinc/30/84/18/343308418.db2.gz FURPULIXJPNPSK-SSDOTTSWSA-N 0 0 126.203 1.492 10 0 ADAERN Cc1ncc(CNC#N)s1 52832628 343308421 /nfs/dbraw/zinc/30/84/21/343308421.db2.gz ABRYQXQVJMPZPH-UHFFFAOYSA-N 0 0 153.210 1.022 10 0 ADAERN Cc1csc(CNC#N)n1 52832560 343308424 /nfs/dbraw/zinc/30/84/24/343308424.db2.gz QXVBOPBTYPFOAG-UHFFFAOYSA-N 0 0 153.210 1.022 10 0 ADAERN C[C@H](NC#N)c1ccc(F)cc1 52832757 343308426 /nfs/dbraw/zinc/30/84/26/343308426.db2.gz HCFBXUJOWDBBQG-ZETCQYMHSA-N 0 0 164.183 1.957 10 0 ADAERN C[C@H](NC#N)c1ccccc1F 52832783 343308435 /nfs/dbraw/zinc/30/84/35/343308435.db2.gz ZZMCMZQKHVRTMV-ZETCQYMHSA-N 0 0 164.183 1.957 10 0 ADAERN C[C@@H](Cc1ccco1)NC#N 52832568 343308448 /nfs/dbraw/zinc/30/84/48/343308448.db2.gz FRIKAAOQSMTBTJ-ZETCQYMHSA-N 0 0 150.181 1.281 10 0 ADAERN C[C@H](NC#N)c1cccc(F)c1 52832787 343308451 /nfs/dbraw/zinc/30/84/51/343308451.db2.gz SJHKBGPUBVTUTA-ZETCQYMHSA-N 0 0 164.183 1.957 10 0 ADAERN Cc1ccc([C@H](C)NC#N)o1 52832583 343308452 /nfs/dbraw/zinc/30/84/52/343308452.db2.gz RLRJAYUBOYGYOQ-ZETCQYMHSA-N 0 0 150.181 1.720 10 0 ADAERN C[C@H](Cc1ccsc1)NC#N 52832716 343308482 /nfs/dbraw/zinc/30/84/82/343308482.db2.gz WPXVNBUEKVTJAJ-SSDOTTSWSA-N 0 0 166.249 1.750 10 0 ADAERN CC[C@H](C)[C@H](C)NC#N 52832669 343308484 /nfs/dbraw/zinc/30/84/84/343308484.db2.gz RPODLOOEVCTUOV-BQBZGAKWSA-N 0 0 126.203 1.492 10 0 ADAERN COCc1cccc(NC#N)c1 52832764 343308508 /nfs/dbraw/zinc/30/85/08/343308508.db2.gz HNDGFHCWKQKWSX-UHFFFAOYSA-N 0 0 162.192 1.726 10 0 ADAERN CC[C@H](NC#N)C(C)C 52832697 343308510 /nfs/dbraw/zinc/30/85/10/343308510.db2.gz FURPULIXJPNPSK-ZETCQYMHSA-N 0 0 126.203 1.492 10 0 ADAERN N#CNc1cccc(F)c1F 52832585 343308520 /nfs/dbraw/zinc/30/85/20/343308520.db2.gz YKLOKQOELVVYHC-UHFFFAOYSA-N 0 0 154.119 1.858 10 0 ADAERN C[C@@H](NC#N)c1ccc(F)cc1 52832758 343308522 /nfs/dbraw/zinc/30/85/22/343308522.db2.gz HCFBXUJOWDBBQG-SSDOTTSWSA-N 0 0 164.183 1.957 10 0 ADAERN CCC[C@@H](CC)NC#N 52832984 343308632 /nfs/dbraw/zinc/30/86/32/343308632.db2.gz LVILBWFFXPFGDE-SSDOTTSWSA-N 0 0 126.203 1.636 10 0 ADAERN N#CN[C@H]1C[C@H]1c1ccccc1 52832889 343308634 /nfs/dbraw/zinc/30/86/34/343308634.db2.gz METXUQPQIUAJLG-UWVGGRQHSA-N 0 0 158.204 1.613 10 0 ADAERN N#CN[C@H]1CCOc2ccccc21 52833033 343308650 /nfs/dbraw/zinc/30/86/50/343308650.db2.gz DVAGRGWGNFWEFQ-VIFPVBQESA-N 0 0 174.203 1.581 10 0 ADAERN N#CNCc1ccc(F)cc1F 52833004 343308657 /nfs/dbraw/zinc/30/86/57/343308657.db2.gz QBJNFFQDMHAXGX-UHFFFAOYSA-N 0 0 168.146 1.535 10 0 ADAERN C[C@H]1CCCC[C@@H]1CNC#N 52832851 343308660 /nfs/dbraw/zinc/30/86/60/343308660.db2.gz BPGWTBJMBPVWPD-DTWKUNHWSA-N 0 0 152.241 1.883 10 0 ADAERN CC1(NC#N)CCCCC1 52832928 343308689 /nfs/dbraw/zinc/30/86/89/343308689.db2.gz NJHQFFGIYBNNIF-UHFFFAOYSA-N 0 0 138.214 1.780 10 0 ADAERN N#CN[C@H]1CCc2ccccc2C1 52833017 343308709 /nfs/dbraw/zinc/30/87/09/343308709.db2.gz HFFQPSSCFREMJI-NSHDSACASA-N 0 0 172.231 1.615 10 0 ADAERN C[C@@H]1CCCC[C@@H]1CNC#N 52832849 343308711 /nfs/dbraw/zinc/30/87/11/343308711.db2.gz BPGWTBJMBPVWPD-RKDXNWHRSA-N 0 0 152.241 1.883 10 0 ADAERN Cc1ccc(CNC#N)s1 52832970 343308761 /nfs/dbraw/zinc/30/87/61/343308761.db2.gz PDADNLRVHPVNTG-UHFFFAOYSA-N 0 0 152.222 1.627 10 0 ADAERN N#CN[C@H]1C[C@@H]1c1ccccc1 52832891 343308771 /nfs/dbraw/zinc/30/87/71/343308771.db2.gz METXUQPQIUAJLG-ZJUUUORDSA-N 0 0 158.204 1.613 10 0 ADAERN Cc1cccc(CCNC#N)c1 52833022 343308789 /nfs/dbraw/zinc/30/87/89/343308789.db2.gz MEYOOBXXNWZLNX-UHFFFAOYSA-N 0 0 160.220 1.608 10 0 ADAERN C[C@@H]1CCCC[C@H]1CNC#N 52832853 343308817 /nfs/dbraw/zinc/30/88/17/343308817.db2.gz BPGWTBJMBPVWPD-BDAKNGLRSA-N 0 0 152.241 1.883 10 0 ADAERN COc1cc(F)ccc1NC#N 52832831 343308843 /nfs/dbraw/zinc/30/88/43/343308843.db2.gz OWKIZYVVWVBNDC-UHFFFAOYSA-N 0 0 166.155 1.727 10 0 ADAERN C[C@H]1CCCC[C@H]1CNC#N 52832855 343308887 /nfs/dbraw/zinc/30/88/87/343308887.db2.gz BPGWTBJMBPVWPD-IUCAKERBSA-N 0 0 152.241 1.883 10 0 ADAERN N#CNC[C@@H]1CC=CCC1 52832951 343308889 /nfs/dbraw/zinc/30/88/89/343308889.db2.gz QBFHRTFMNDOUAT-MRVPVSSYSA-N 0 0 136.198 1.413 10 0 ADAERN N#CN[C@@H]1CCOc2ccccc21 52833031 343308891 /nfs/dbraw/zinc/30/88/91/343308891.db2.gz DVAGRGWGNFWEFQ-SECBINFHSA-N 0 0 174.203 1.581 10 0 ADAERN N#CN[C@@H]1C[C@H]1c1ccccc1 52832893 343308894 /nfs/dbraw/zinc/30/88/94/343308894.db2.gz METXUQPQIUAJLG-VHSXEESVSA-N 0 0 158.204 1.613 10 0 ADAERN CCC[C@H](CC)NC#N 52832986 343308924 /nfs/dbraw/zinc/30/89/24/343308924.db2.gz LVILBWFFXPFGDE-ZETCQYMHSA-N 0 0 126.203 1.636 10 0 ADAERN N#CNCc1ccc(F)c(F)c1 52832843 343308929 /nfs/dbraw/zinc/30/89/29/343308929.db2.gz QTJJCKHWPLRFFU-UHFFFAOYSA-N 0 0 168.146 1.535 10 0 ADAERN Cc1cccc(-c2ncn(N)c2N)c1 52838193 343310658 /nfs/dbraw/zinc/31/06/58/343310658.db2.gz AEBBQDBHKUKRHF-UHFFFAOYSA-N 0 0 188.234 1.155 10 0 ADAERN Cc1cc(-c2ccc(C)o2)nc(N)n1 52837959 343310670 /nfs/dbraw/zinc/31/06/70/343310670.db2.gz YOLSVBQDMGORCF-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC[C@H](C)c1nc(C)n(N)c1N 52838343 343310688 /nfs/dbraw/zinc/31/06/88/343310688.db2.gz SDWDOAGSOPCGEE-YFKPBYRVSA-N 0 0 168.244 1.001 10 0 ADAERN Cc1ccccc1-c1ncn(N)c1N 52838177 343310714 /nfs/dbraw/zinc/31/07/14/343310714.db2.gz ILEXYIKBILUSPA-UHFFFAOYSA-N 0 0 188.234 1.155 10 0 ADAERN CCC(CC)c1nc(C)n(N)c1N 52838329 343310906 /nfs/dbraw/zinc/31/09/06/343310906.db2.gz HYRMPSWCEDFEQE-UHFFFAOYSA-N 0 0 182.271 1.391 10 0 ADAERN Cc1nc(C2CCCC2)c(N)n1N 52838358 343310810 /nfs/dbraw/zinc/31/08/10/343310810.db2.gz ZDZZRCQVPKCABH-UHFFFAOYSA-N 0 0 180.255 1.145 10 0 ADAERN COC(=N)Cc1cccnc1 53132338 343312837 /nfs/dbraw/zinc/31/28/37/343312837.db2.gz CCUJLPLTOAMCJT-UHFFFAOYSA-N 0 0 150.181 1.248 10 0 ADAERN CCc1nc(C(C)(C)C)c(N)n1N 52838672 343310884 /nfs/dbraw/zinc/31/08/84/343310884.db2.gz UJBFFHGBVUTKLV-UHFFFAOYSA-N 0 0 182.271 1.039 10 0 ADAERN Cc1cc(-c2ccco2)nc(N)n1 52837957 343310927 /nfs/dbraw/zinc/31/09/27/343310927.db2.gz BZDGUQXZLQUJHE-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC(C)[C@](C)(C(=O)[O-])[NH+](C)C 52883946 343311050 /nfs/dbraw/zinc/31/10/50/343311050.db2.gz MXSAOSIAJXVQCI-MRVPVSSYSA-N 0 0 159.229 1.047 10 0 ADAERN Cc1ccn(-c2cccc(F)n2)n1 52855946 343311059 /nfs/dbraw/zinc/31/10/59/343311059.db2.gz QQLGZBFZTYCIRQ-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN Cc1ccn(-c2cc(N)ccn2)n1 52855847 343311078 /nfs/dbraw/zinc/31/10/78/343311078.db2.gz MOZCOANCICHOSK-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC(C)c1nc(C(C)(C)C)c(N)n1N 52839886 343311091 /nfs/dbraw/zinc/31/10/91/343311091.db2.gz NZKBYSBZRFKURD-UHFFFAOYSA-N 0 0 196.298 1.600 10 0 ADAERN CC(C)[C@@](C)(C(=O)[O-])[NH+](C)C 52883945 343311097 /nfs/dbraw/zinc/31/10/97/343311097.db2.gz MXSAOSIAJXVQCI-QMMMGPOBSA-N 0 0 159.229 1.047 10 0 ADAERN CC(C)c1nc(C2CC2)c(N)n1N 52839889 343311100 /nfs/dbraw/zinc/31/11/00/343311100.db2.gz JZORMDVEGAEVJZ-UHFFFAOYSA-N 0 0 180.255 1.180 10 0 ADAERN Cc1ccn(-c2ccc(CO)cn2)n1 52885013 343311170 /nfs/dbraw/zinc/31/11/70/343311170.db2.gz CBYDPVHSSMULJR-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CC(C)[C@@](C)(C(=O)[O-])[NH+]1CCCCC1 52883953 343311198 /nfs/dbraw/zinc/31/11/98/343311198.db2.gz DGZSIOZNTLKHNP-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CC(C)c1nc(C2CC2)n(N)c1N 52838960 343311208 /nfs/dbraw/zinc/31/12/08/343311208.db2.gz ZPJSHBKWTQNHSR-UHFFFAOYSA-N 0 0 180.255 1.180 10 0 ADAERN Cc1ccn(-c2ccnc(CO)c2)n1 52885011 343311249 /nfs/dbraw/zinc/31/12/49/343311249.db2.gz WABNSVSJBIHFKQ-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN Cc1ccn(-c2ccc(N)nc2)n1 52855775 343311252 /nfs/dbraw/zinc/31/12/52/343311252.db2.gz HUTSNZUGPWIPON-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC[C@@H](C)c1nc(C2CC2)n(N)c1N 52838978 343311262 /nfs/dbraw/zinc/31/12/62/343311262.db2.gz DSPUKJJXZXVUJH-ZCFIWIBFSA-N 0 0 194.282 1.570 10 0 ADAERN CC(C)Cc1nc(C(C)C)n(N)c1N 52839854 343311273 /nfs/dbraw/zinc/31/12/73/343311273.db2.gz ZMTPYFIBFWCJSB-UHFFFAOYSA-N 0 0 196.298 1.501 10 0 ADAERN CC(C)[C@@](C)(C(=O)[O-])[NH+]1CCCC1 52883949 343311297 /nfs/dbraw/zinc/31/12/97/343311297.db2.gz PEGHRTYWTILZLL-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN CCc1nc(C2CCCC2)c(N)n1N 52838680 343311303 /nfs/dbraw/zinc/31/13/03/343311303.db2.gz CLRYAOANWUCPJK-UHFFFAOYSA-N 0 0 194.282 1.399 10 0 ADAERN Cc1ccn(-c2nccnc2Cl)n1 52855948 343311315 /nfs/dbraw/zinc/31/13/15/343311315.db2.gz HTVGBDIBKASMGY-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1nc(C2CCCC2)n(N)c1N 52839479 343311337 /nfs/dbraw/zinc/31/13/37/343311337.db2.gz ZPXXAQVADSMBGW-UHFFFAOYSA-N 0 0 180.255 1.145 10 0 ADAERN CCc1nc(C(C)(C)C)n(N)c1N 52839622 343311343 /nfs/dbraw/zinc/31/13/43/343311343.db2.gz TVMUYKXGIJHNOR-UHFFFAOYSA-N 0 0 182.271 1.039 10 0 ADAERN Cc1ccn(-c2ccnc(Cl)n2)n1 52855933 343311351 /nfs/dbraw/zinc/31/13/51/343311351.db2.gz SXMVCVWMLVOEBI-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1ccn(-c2ccc(CO)cc2)n1 52884594 343311360 /nfs/dbraw/zinc/31/13/60/343311360.db2.gz ZCFPJJBDNHYDCL-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN CC[C@H](C)c1nc(C2CC2)n(N)c1N 52838981 343311366 /nfs/dbraw/zinc/31/13/66/343311366.db2.gz DSPUKJJXZXVUJH-LURJTMIESA-N 0 0 194.282 1.570 10 0 ADAERN CC(C)c1nc(C(C)(C)C)n(N)c1N 52839624 343311374 /nfs/dbraw/zinc/31/13/74/343311374.db2.gz BEFCKBTWLHQVQW-UHFFFAOYSA-N 0 0 196.298 1.600 10 0 ADAERN O[C@@H](CC(F)(F)F)c1cncnc1 52886836 343311479 /nfs/dbraw/zinc/31/14/79/343311479.db2.gz UYIXMSOABCVXPU-LURJTMIESA-N 0 0 192.140 1.462 10 0 ADAERN CC[C@@](C)(O)c1cncnc1 52887579 343311455 /nfs/dbraw/zinc/31/14/55/343311455.db2.gz RFDVCYVSBWNSBX-MRVPVSSYSA-N 0 0 152.197 1.094 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)c1cncnc1 52887524 343311469 /nfs/dbraw/zinc/31/14/69/343311469.db2.gz WXCVBNGZQIZFSP-MWLCHTKSSA-N 0 0 192.262 1.874 10 0 ADAERN O[C@@H](C[C@@H]1CCCO1)c1cncnc1 52886788 343311472 /nfs/dbraw/zinc/31/14/72/343311472.db2.gz ZMEGBTNUAMJWJF-UWVGGRQHSA-N 0 0 194.234 1.079 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)c1cncnc1 52887526 343311474 /nfs/dbraw/zinc/31/14/74/343311474.db2.gz WXCVBNGZQIZFSP-KOLCDFICSA-N 0 0 192.262 1.874 10 0 ADAERN O=C(C[C@H]1CCCO1)c1cncnc1 52886693 343311499 /nfs/dbraw/zinc/31/14/99/343311499.db2.gz HOJFPZWJHJMOHZ-SECBINFHSA-N 0 0 192.218 1.228 10 0 ADAERN O[C@H](C[C@H]1CCCO1)c1cncnc1 52886789 343311502 /nfs/dbraw/zinc/31/15/02/343311502.db2.gz ZMEGBTNUAMJWJF-NXEZZACHSA-N 0 0 194.234 1.079 10 0 ADAERN O=C(c1cncnc1)C1CCCC1 52886705 343311511 /nfs/dbraw/zinc/31/15/11/343311511.db2.gz KJMLPMCTNZDDBQ-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN O=C(Cc1ccccn1)c1cncnc1 52886695 343311515 /nfs/dbraw/zinc/31/15/15/343311515.db2.gz YKVUMZPWZRIDAG-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN COC(=N)Cc1cccs1 52900858 343311538 /nfs/dbraw/zinc/31/15/38/343311538.db2.gz CUQJIYJEYVTOKK-UHFFFAOYSA-N 0 0 155.222 1.914 10 0 ADAERN C[C@H]1CCCC[C@]1(O)c1cncnc1 52887525 343311551 /nfs/dbraw/zinc/31/15/51/343311551.db2.gz WXCVBNGZQIZFSP-GXSJLCMTSA-N 0 0 192.262 1.874 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)c1cncnc1 52886787 343311579 /nfs/dbraw/zinc/31/15/79/343311579.db2.gz ZMEGBTNUAMJWJF-VHSXEESVSA-N 0 0 194.234 1.079 10 0 ADAERN CC[C@](C)(O)c1cncnc1 52887578 343311587 /nfs/dbraw/zinc/31/15/87/343311587.db2.gz RFDVCYVSBWNSBX-QMMMGPOBSA-N 0 0 152.197 1.094 10 0 ADAERN O=C(C[C@@H]1CCCO1)c1cncnc1 52886692 343311591 /nfs/dbraw/zinc/31/15/91/343311591.db2.gz HOJFPZWJHJMOHZ-VIFPVBQESA-N 0 0 192.218 1.228 10 0 ADAERN CC[C@](O)(c1cncnc1)C(C)C 52887602 343311602 /nfs/dbraw/zinc/31/16/02/343311602.db2.gz SRWPOYMOINVHRW-SNVBAGLBSA-N 0 0 180.251 1.730 10 0 ADAERN O=C(c1cncnc1)c1cccs1 52886682 343311609 /nfs/dbraw/zinc/31/16/09/343311609.db2.gz HGWXMPGMRQSTFD-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN CC[C@@](O)(c1cncnc1)C(C)C 52887601 343311614 /nfs/dbraw/zinc/31/16/14/343311614.db2.gz SRWPOYMOINVHRW-JTQLQIEISA-N 0 0 180.251 1.730 10 0 ADAERN O[C@@H](C[C@H]1CCCO1)c1cncnc1 52886790 343311639 /nfs/dbraw/zinc/31/16/39/343311639.db2.gz ZMEGBTNUAMJWJF-ZJUUUORDSA-N 0 0 194.234 1.079 10 0 ADAERN O=C(c1ccncc1)c1cncnc1 52886687 343311648 /nfs/dbraw/zinc/31/16/48/343311648.db2.gz PDIQQKDZINFUEM-UHFFFAOYSA-N 0 0 185.186 1.103 10 0 ADAERN O=C(CC(F)(F)F)c1cncnc1 52886712 343311674 /nfs/dbraw/zinc/31/16/74/343311674.db2.gz BSSVCQHPGKLIOT-UHFFFAOYSA-N 0 0 190.124 1.612 10 0 ADAERN O=c1ccnc(Cc2cccs2)[nH]1 52899994 343311678 /nfs/dbraw/zinc/31/16/78/343311678.db2.gz ONEAKQNXUSJJBT-UHFFFAOYSA-N 0 0 192.243 1.422 10 0 ADAERN O[C@H](CC(F)(F)F)c1cncnc1 52886835 343311682 /nfs/dbraw/zinc/31/16/82/343311682.db2.gz UYIXMSOABCVXPU-ZCFIWIBFSA-N 0 0 192.140 1.462 10 0 ADAERN CC(C)[C@](C)(O)c1cncnc1 52887581 343311691 /nfs/dbraw/zinc/31/16/91/343311691.db2.gz XPNBAFLYHGXBGO-VIFPVBQESA-N 0 0 166.224 1.340 10 0 ADAERN O[C@H](c1cncnc1)c1ccsc1 52886773 343311695 /nfs/dbraw/zinc/31/16/95/343311695.db2.gz NMGOURSDBHCEBL-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN Cc1cccnc1C(=O)c1cncnc1 52886720 343311698 /nfs/dbraw/zinc/31/16/98/343311698.db2.gz QPAYOLLTFICFSH-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN O=C(c1cncnc1)c1ccsc1 52886688 343311716 /nfs/dbraw/zinc/31/17/16/343311716.db2.gz KGLZKKCSZSICMO-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)c1cncnc1 52887527 343311722 /nfs/dbraw/zinc/31/17/22/343311722.db2.gz WXCVBNGZQIZFSP-ONGXEEELSA-N 0 0 192.262 1.874 10 0 ADAERN CC(=O)NC(=O)c1cc(C)ccc1F 53009325 343311838 /nfs/dbraw/zinc/31/18/38/343311838.db2.gz QSFIQOZEZZNAJR-UHFFFAOYSA-N 0 0 195.193 1.410 10 0 ADAERN Cc1ccc(NCC[NH3+])c(C(=O)[O-])c1 52983129 343311851 /nfs/dbraw/zinc/31/18/51/343311851.db2.gz BVGPTIYRWNWTMK-UHFFFAOYSA-N 0 0 194.234 1.064 10 0 ADAERN NC(=S)c1c(O)cccc1Cl 52908477 343311864 /nfs/dbraw/zinc/31/18/64/343311864.db2.gz IOBBSKUKQNAXBO-UHFFFAOYSA-N 0 0 187.651 1.680 10 0 ADAERN C[S@](=O)CCc1ccccc1N 52919354 343312158 /nfs/dbraw/zinc/31/21/58/343312158.db2.gz WKMYRHYYGZOGFG-GFCCVEGCSA-N 0 0 183.276 1.190 10 0 ADAERN Cc1ccc(CN2CCC(=O)C2)o1 53038191 343312366 /nfs/dbraw/zinc/31/23/66/343312366.db2.gz HRWXGACKYQZDAI-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN Cc1ccc(CN2CCC(=O)CC2)o1 53038186 343312388 /nfs/dbraw/zinc/31/23/88/343312388.db2.gz LWOVGNPOSVEDAQ-UHFFFAOYSA-N 0 0 193.246 1.753 10 0 ADAERN Cc1ccc(CNC#N)o1 53037323 343312416 /nfs/dbraw/zinc/31/24/16/343312416.db2.gz IOYHZVQYQTZFIN-UHFFFAOYSA-N 0 0 136.154 1.159 10 0 ADAERN Cc1ccc(CNc2cccnn2)o1 53039146 343312497 /nfs/dbraw/zinc/31/24/97/343312497.db2.gz NXYKHZGOTABCHD-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN COC(=O)NC1(CO)CCCCC1 53095706 343312606 /nfs/dbraw/zinc/31/26/06/343312606.db2.gz SQCGWEUMVMFZSU-UHFFFAOYSA-N 0 0 187.239 1.038 10 0 ADAERN Cc1ccc(CN2C(=O)C=CC2=O)o1 53038851 343312627 /nfs/dbraw/zinc/31/26/27/343312627.db2.gz UAHVAJYVMRSPND-UHFFFAOYSA-N 0 0 191.186 1.013 10 0 ADAERN Cc1ccc(CN2CN=NC2=S)o1 53040000 343312649 /nfs/dbraw/zinc/31/26/49/343312649.db2.gz WBTUWMXOJYVMIE-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN O=C(NC1(CO)CCCCC1)C1CC1 53073838 343312659 /nfs/dbraw/zinc/31/26/59/343312659.db2.gz AJCVSIAIIOEZIB-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN CCC(=O)NC1(CO)CCC(C)CC1 53101657 343312667 /nfs/dbraw/zinc/31/26/67/343312667.db2.gz RBURRILXHRXSIJ-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN N#CNCc1cccc(Cl)c1 53156107 343312830 /nfs/dbraw/zinc/31/28/30/343312830.db2.gz FSLLWUVMNXAYIA-UHFFFAOYSA-N 0 0 166.611 1.911 10 0 ADAERN C=CC(=O)N[C@]1(CO)CCC[C@@H](C)C1 53107199 343312853 /nfs/dbraw/zinc/31/28/53/343312853.db2.gz SCIMQHOUZXNNGN-MWLCHTKSSA-N 0 0 197.278 1.230 10 0 ADAERN CCC(=O)N[C@]1(CO)CCC[C@H](C)C1 53104306 343312855 /nfs/dbraw/zinc/31/28/55/343312855.db2.gz BMYRYLYJYFSRBG-GXSJLCMTSA-N 0 0 199.294 1.454 10 0 ADAERN CC(=O)N[C@]1(CO)CCC[C@@H](C)C1 53105080 343312861 /nfs/dbraw/zinc/31/28/61/343312861.db2.gz OHYPXAXLOBZYAC-PSASIEDQSA-N 0 0 185.267 1.064 10 0 ADAERN CCC(=O)N[C@@]1(CO)CCC[C@H](C)C1 53104308 343312863 /nfs/dbraw/zinc/31/28/63/343312863.db2.gz BMYRYLYJYFSRBG-ONGXEEELSA-N 0 0 199.294 1.454 10 0 ADAERN CC(=O)N[C@]1(CO)CCC[C@H](C)C1 53105082 343312867 /nfs/dbraw/zinc/31/28/67/343312867.db2.gz OHYPXAXLOBZYAC-WCBMZHEXSA-N 0 0 185.267 1.064 10 0 ADAERN CC1CCC(CO)(n2cnnc2)CC1 53111353 343312868 /nfs/dbraw/zinc/31/28/68/343312868.db2.gz OKCLJGOVCWLUFJ-UHFFFAOYSA-N 0 0 195.266 1.176 10 0 ADAERN C[C@H]1CCC[C@](CO)(n2cnnc2)C1 53111553 343312919 /nfs/dbraw/zinc/31/29/19/343312919.db2.gz SQFTZAIPLGIKKA-UWVGGRQHSA-N 0 0 195.266 1.176 10 0 ADAERN CCC(=O)N[C@@]1(CO)CCC[C@@H](C)C1 53104311 343312954 /nfs/dbraw/zinc/31/29/54/343312954.db2.gz BMYRYLYJYFSRBG-KOLCDFICSA-N 0 0 199.294 1.454 10 0 ADAERN O=C(Cc1ccncc1)c1cncnc1 53133959 343312981 /nfs/dbraw/zinc/31/29/81/343312981.db2.gz MWXJKIASEFDHAA-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN COC[C@](C)(O)C1CCCC1 53173320 343313116 /nfs/dbraw/zinc/31/31/16/343313116.db2.gz PFAROZIJNIZULN-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@](C)(O)C(C)C 53173316 343313138 /nfs/dbraw/zinc/31/31/38/343313138.db2.gz NVTWSAVVAUNPKP-ZETCQYMHSA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@@](C)(O)C1CCCCC1 53173317 343313160 /nfs/dbraw/zinc/31/31/60/343313160.db2.gz BMPUIGBOHOKHIM-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@@](C)(O)c1ccc(F)cc1 53173347 343313187 /nfs/dbraw/zinc/31/31/87/343313187.db2.gz JFEAZLCVLZAHDX-SNVBAGLBSA-N 0 0 184.210 1.680 10 0 ADAERN COC[C@](C)(O)c1ccccc1F 53173232 343313189 /nfs/dbraw/zinc/31/31/89/343313189.db2.gz UQHKATHGBPHBEX-JTQLQIEISA-N 0 0 184.210 1.680 10 0 ADAERN COC[C@](C)(O)c1cccc(C)c1 53173368 343313191 /nfs/dbraw/zinc/31/31/91/343313191.db2.gz DWQDXGBQVTXANA-NSHDSACASA-N 0 0 180.247 1.849 10 0 ADAERN COC[C@](C)(O)c1cccs1 53173244 343313212 /nfs/dbraw/zinc/31/32/12/343313212.db2.gz GSIBRZBAJOOQQJ-QMMMGPOBSA-N 0 0 172.249 1.602 10 0 ADAERN COC[C@@](C)(O)c1cccs1 53173243 343313252 /nfs/dbraw/zinc/31/32/52/343313252.db2.gz GSIBRZBAJOOQQJ-MRVPVSSYSA-N 0 0 172.249 1.602 10 0 ADAERN COC[C@H](O)c1cccc(C)c1C 53329138 343314249 /nfs/dbraw/zinc/31/42/49/343314249.db2.gz QWKAXFARIDJNSL-NSHDSACASA-N 0 0 180.247 1.983 10 0 ADAERN CC(=O)[C@H](C)C[C@H]1CCCO1 53336159 343314385 /nfs/dbraw/zinc/31/43/85/343314385.db2.gz BPUSFJWHBGQFJR-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN O=C1CCC[C@@H]1C[C@@H]1CCCO1 53336177 343314449 /nfs/dbraw/zinc/31/44/49/343314449.db2.gz GYVQHYDARCJAFI-BDAKNGLRSA-N 0 0 168.236 1.925 10 0 ADAERN CC(=O)[C@@H](C)C[C@H]1CCCO1 53336157 343314451 /nfs/dbraw/zinc/31/44/51/343314451.db2.gz BPUSFJWHBGQFJR-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN O=C1CCC[C@@H]1C[C@H]1CCCO1 53336182 343314501 /nfs/dbraw/zinc/31/45/01/343314501.db2.gz GYVQHYDARCJAFI-RKDXNWHRSA-N 0 0 168.236 1.925 10 0 ADAERN O=C1CCC[C@H]1C[C@@H]1CCCO1 53336180 343314503 /nfs/dbraw/zinc/31/45/03/343314503.db2.gz GYVQHYDARCJAFI-IUCAKERBSA-N 0 0 168.236 1.925 10 0 ADAERN O=C1CCC[C@H]1C[C@H]1CCCO1 53336186 343314511 /nfs/dbraw/zinc/31/45/11/343314511.db2.gz GYVQHYDARCJAFI-DTWKUNHWSA-N 0 0 168.236 1.925 10 0 ADAERN CC(=O)[C@@H](C)C[C@@H]1CCCO1 53336149 343314553 /nfs/dbraw/zinc/31/45/53/343314553.db2.gz BPUSFJWHBGQFJR-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN COC[C@@H](O)c1cccc(C)c1C 53329135 343314566 /nfs/dbraw/zinc/31/45/66/343314566.db2.gz QWKAXFARIDJNSL-LLVKDONJSA-N 0 0 180.247 1.983 10 0 ADAERN CC(=O)[C@H](C)C[C@@H]1CCCO1 53336153 343314596 /nfs/dbraw/zinc/31/45/96/343314596.db2.gz BPUSFJWHBGQFJR-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)Cc1nnc2n1CCN[C@@H]2C 53710134 343315147 /nfs/dbraw/zinc/31/51/47/343315147.db2.gz WUBONKTZIJYNMW-MRVPVSSYSA-N 0 0 194.282 1.141 10 0 ADAERN C[C@H]1NCCn2c(C3CCC3)nnc21 53710642 343315197 /nfs/dbraw/zinc/31/51/97/343315197.db2.gz CWNGTKZXJFPGEH-SSDOTTSWSA-N 0 0 192.266 1.210 10 0 ADAERN CCC(CC)c1nnc2n1CCNC2 53709543 343315224 /nfs/dbraw/zinc/31/52/24/343315224.db2.gz SEZJZNBAZDJNHF-UHFFFAOYSA-N 0 0 194.282 1.285 10 0 ADAERN C[C@@H]1NCCn2c(C3CCC3)nnc21 53710644 343315228 /nfs/dbraw/zinc/31/52/28/343315228.db2.gz CWNGTKZXJFPGEH-ZETCQYMHSA-N 0 0 192.266 1.210 10 0 ADAERN C[C@H]1NCCn2c1nnc2C(C)(C)C 53710667 343315241 /nfs/dbraw/zinc/31/52/41/343315241.db2.gz ABHFGZNKOBPANG-SSDOTTSWSA-N 0 0 194.282 1.240 10 0 ADAERN CC(C)Cc1nnc2n1CCN[C@H]2C 53710137 343315257 /nfs/dbraw/zinc/31/52/57/343315257.db2.gz WUBONKTZIJYNMW-QMMMGPOBSA-N 0 0 194.282 1.141 10 0 ADAERN CC[C@@H](CO)Nc1cc(N)ccc1C 53734937 343315689 /nfs/dbraw/zinc/31/56/89/343315689.db2.gz FISXBXQFUSATDR-JTQLQIEISA-N 0 0 194.278 1.760 10 0 ADAERN COCCc1nc2cccnc2[nH]1 53731531 343315707 /nfs/dbraw/zinc/31/57/07/343315707.db2.gz PQOWQAVQRUKOJD-UHFFFAOYSA-N 0 0 177.207 1.147 10 0 ADAERN Cc1ccc(N)cc1N(C)C[C@H](C)O 53735618 343315745 /nfs/dbraw/zinc/31/57/45/343315745.db2.gz AUARXBAMQMVDNZ-VIFPVBQESA-N 0 0 194.278 1.394 10 0 ADAERN CC[C@H](CO)Nc1cc(N)ccc1C 53734938 343315774 /nfs/dbraw/zinc/31/57/74/343315774.db2.gz FISXBXQFUSATDR-SNVBAGLBSA-N 0 0 194.278 1.760 10 0 ADAERN Clc1nc(Cc2ccccn2)no1 53749965 343315869 /nfs/dbraw/zinc/31/58/69/343315869.db2.gz RFKRQHIPGGVSCK-UHFFFAOYSA-N 0 0 195.609 1.709 10 0 ADAERN CCc1noc(Cl)n1 53749956 343315885 /nfs/dbraw/zinc/31/58/85/343315885.db2.gz ZOSBJVLBSHXWBT-UHFFFAOYSA-N 0 0 132.550 1.285 10 0 ADAERN FC(F)(F)Cc1noc(Cl)n1 53750019 343315904 /nfs/dbraw/zinc/31/59/04/343315904.db2.gz WRNYJGPKPNIDNJ-UHFFFAOYSA-N 0 0 186.520 1.828 10 0 ADAERN CCn1cc([C@@H]2CCCC[C@H]2O)cn1 53751513 343315907 /nfs/dbraw/zinc/31/59/07/343315907.db2.gz HBSYFHWALXHGJU-WDEREUQCSA-N 0 0 194.278 1.922 10 0 ADAERN CNc1nc(C(C)(C)C)no1 53750051 343315919 /nfs/dbraw/zinc/31/59/19/343315919.db2.gz WJSNYGOJVPSOOE-UHFFFAOYSA-N 0 0 155.201 1.409 10 0 ADAERN CCNc1nc(CC(F)(F)F)no1 53750268 343315926 /nfs/dbraw/zinc/31/59/26/343315926.db2.gz IXOGANBXGGLSML-UHFFFAOYSA-N 0 0 195.144 1.606 10 0 ADAERN Clc1nc(Cc2cccnc2)no1 53749993 343315952 /nfs/dbraw/zinc/31/59/52/343315952.db2.gz VKVQTXOPNBXDGS-UHFFFAOYSA-N 0 0 195.609 1.709 10 0 ADAERN Clc1nc(Cc2ccncc2)no1 53749989 343315956 /nfs/dbraw/zinc/31/59/56/343315956.db2.gz DOMUSAAPGNXWFQ-UHFFFAOYSA-N 0 0 195.609 1.709 10 0 ADAERN CCn1cc([C@H]2CCCC[C@H]2O)cn1 53751514 343315978 /nfs/dbraw/zinc/31/59/78/343315978.db2.gz HBSYFHWALXHGJU-GHMZBOCLSA-N 0 0 194.278 1.922 10 0 ADAERN Clc1nc(C[C@H]2CCCO2)no1 53749969 343315983 /nfs/dbraw/zinc/31/59/83/343315983.db2.gz XJBKOGGYTPMJOE-RXMQYKEDSA-N 0 0 188.614 1.445 10 0 ADAERN CCCc1noc(Cl)n1 53749983 343316003 /nfs/dbraw/zinc/31/60/03/343316003.db2.gz JNFQGEWEBZEVTI-UHFFFAOYSA-N 0 0 146.577 1.676 10 0 ADAERN CNc1nc(CC(F)(F)F)no1 53750111 343316021 /nfs/dbraw/zinc/31/60/21/343316021.db2.gz JYCUTMWFGKWENY-UHFFFAOYSA-N 0 0 181.117 1.216 10 0 ADAERN CCCn1cc([C@@H]2CCC[C@H]2O)cn1 53751848 343316168 /nfs/dbraw/zinc/31/61/68/343316168.db2.gz QQIOICJELPRDLR-WDEREUQCSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1c1cncnc1 53751636 343316217 /nfs/dbraw/zinc/31/62/17/343316217.db2.gz GJFIDQRUEONVQV-GHMZBOCLSA-N 0 0 192.262 1.885 10 0 ADAERN CCCn1cc([C@H]2CCC[C@H]2O)cn1 53751851 343316258 /nfs/dbraw/zinc/31/62/58/343316258.db2.gz QQIOICJELPRDLR-GHMZBOCLSA-N 0 0 194.278 1.922 10 0 ADAERN O=C(CC1CCOCC1)C1CC1 53766078 343316267 /nfs/dbraw/zinc/31/62/67/343316267.db2.gz CDEIHSABWUILSA-UHFFFAOYSA-N 0 0 168.236 1.782 10 0 ADAERN O=C(C[C@@H]1CCCO1)C1CC1 53766075 343316276 /nfs/dbraw/zinc/31/62/76/343316276.db2.gz VLNVHJRFYTWJNG-QMMMGPOBSA-N 0 0 154.209 1.535 10 0 ADAERN O[C@H]1CCCCC[C@H]1c1cncnc1 53751631 343316305 /nfs/dbraw/zinc/31/63/05/343316305.db2.gz GJFIDQRUEONVQV-QWRGUYRKSA-N 0 0 192.262 1.885 10 0 ADAERN CCC(=O)CCOC(C)C 53765712 343316319 /nfs/dbraw/zinc/31/63/19/343316319.db2.gz WTOQDNMCIKSMND-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN CCCn1cc([C@@H]2CCC[C@@H]2O)cn1 53751843 343316330 /nfs/dbraw/zinc/31/63/30/343316330.db2.gz QQIOICJELPRDLR-QWRGUYRKSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@H]1CCCCC[C@@H]1c1cncnc1 53751633 343316351 /nfs/dbraw/zinc/31/63/51/343316351.db2.gz GJFIDQRUEONVQV-MNOVXSKESA-N 0 0 192.262 1.885 10 0 ADAERN CCCn1cc([C@H]2CCC[C@@H]2O)cn1 53751847 343316389 /nfs/dbraw/zinc/31/63/89/343316389.db2.gz QQIOICJELPRDLR-MNOVXSKESA-N 0 0 194.278 1.922 10 0 ADAERN O=C(C[C@H]1CCCO1)C1CC1 53766072 343316397 /nfs/dbraw/zinc/31/63/97/343316397.db2.gz VLNVHJRFYTWJNG-MRVPVSSYSA-N 0 0 154.209 1.535 10 0 ADAERN O[C@@H]1CCCCC[C@H]1c1cncnc1 53751635 343316426 /nfs/dbraw/zinc/31/64/26/343316426.db2.gz GJFIDQRUEONVQV-WDEREUQCSA-N 0 0 192.262 1.885 10 0 ADAERN C[C@@H](O)Cc1cccc(F)c1F 53784418 343316531 /nfs/dbraw/zinc/31/65/31/343316531.db2.gz HJBOBLLOZJMSQN-ZCFIWIBFSA-N 0 0 172.174 1.888 10 0 ADAERN CCC[C@H](O)CCOCC 53784623 343316549 /nfs/dbraw/zinc/31/65/49/343316549.db2.gz XLVCDOVXBQMGJJ-QMMMGPOBSA-N 0 0 146.230 1.574 10 0 ADAERN C[C@H](O)Cc1cccc(F)c1F 53784417 343316573 /nfs/dbraw/zinc/31/65/73/343316573.db2.gz HJBOBLLOZJMSQN-LURJTMIESA-N 0 0 172.174 1.888 10 0 ADAERN CCC[C@@H](O)CCOCC 53784624 343316607 /nfs/dbraw/zinc/31/66/07/343316607.db2.gz XLVCDOVXBQMGJJ-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN O[C@H](CC1CCOCC1)C1CC1 53784731 343316608 /nfs/dbraw/zinc/31/66/08/343316608.db2.gz ZSBTWTKGZKRFRL-SNVBAGLBSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@H](O)CC1CCOCC1 53784365 343316610 /nfs/dbraw/zinc/31/66/10/343316610.db2.gz HPKOBHAJVCNADT-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN O[C@@H](CC1CCOCC1)C1CC1 53784732 343316647 /nfs/dbraw/zinc/31/66/47/343316647.db2.gz ZSBTWTKGZKRFRL-JTQLQIEISA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@@H](O)CC1CCOCC1 53784366 343316680 /nfs/dbraw/zinc/31/66/80/343316680.db2.gz HPKOBHAJVCNADT-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@H](O)CC1CCCC1 53784422 343316693 /nfs/dbraw/zinc/31/66/93/343316693.db2.gz KJIPGYIYUKEUJJ-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1nc(-c2cccc(O)c2)n[nH]1 53994976 343317315 /nfs/dbraw/zinc/31/73/15/343317315.db2.gz JSSLYVSMDPSNIH-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN O=Cc1c[nH]nc1C1CCCC1 54077957 343317328 /nfs/dbraw/zinc/31/73/28/343317328.db2.gz INGFYQBUCAZNKD-UHFFFAOYSA-N 0 0 164.208 1.880 10 0 ADAERN CCOC(=O)CN[C@@H](C)C1CCCC1 54080412 343317340 /nfs/dbraw/zinc/31/73/40/343317340.db2.gz YAPRYSRKQHFBNQ-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)CN[C@H](C)C1CCCC1 54077268 343317356 /nfs/dbraw/zinc/31/73/56/343317356.db2.gz SYCISHOYFHRWJM-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@@]1(C2CCCC2)CC(=O)NC1=O 54078673 343317391 /nfs/dbraw/zinc/31/73/91/343317391.db2.gz FPCIVCIOFCDUJD-JTQLQIEISA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@H]1C(=O)N(C(C)(C)C)C(=O)N1C 54069260 343317398 /nfs/dbraw/zinc/31/73/98/343317398.db2.gz HVENPQZFUHSHEZ-ZCFIWIBFSA-N 0 0 184.239 1.067 10 0 ADAERN CCc1nc(-c2cccc(O)c2)n[nH]1 53994977 343317405 /nfs/dbraw/zinc/31/74/05/343317405.db2.gz XFFJSJVEFDEJQR-UHFFFAOYSA-N 0 0 189.218 1.740 10 0 ADAERN COC(=O)CN[C@@H](C)C1CCCC1 54077267 343317424 /nfs/dbraw/zinc/31/74/24/343317424.db2.gz SYCISHOYFHRWJM-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN O=c1ccc(C2CCCC2)n[nH]1 54078770 343317473 /nfs/dbraw/zinc/31/74/73/343317473.db2.gz CBIPZDTXFAVEMZ-UHFFFAOYSA-N 0 0 164.208 1.428 10 0 ADAERN CCc1nc(-c2ccc(O)cc2)n[nH]1 53994974 343317490 /nfs/dbraw/zinc/31/74/90/343317490.db2.gz LCCWRJFUUIFITJ-UHFFFAOYSA-N 0 0 189.218 1.740 10 0 ADAERN C[C@]1(C2CCCC2)CC(=O)NC1=O 54078672 343317639 /nfs/dbraw/zinc/31/76/39/343317639.db2.gz FPCIVCIOFCDUJD-SNVBAGLBSA-N 0 0 181.235 1.229 10 0 ADAERN CCOC(=O)CN[C@H](C)C1CCCC1 54080414 343317550 /nfs/dbraw/zinc/31/75/50/343317550.db2.gz YAPRYSRKQHFBNQ-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H]1C(=O)N(C(C)(C)C)C(=O)N1C 54069262 343317629 /nfs/dbraw/zinc/31/76/29/343317629.db2.gz HVENPQZFUHSHEZ-LURJTMIESA-N 0 0 184.239 1.067 10 0 ADAERN COCc1ncc([C@H](C)O)s1 54160845 343318970 /nfs/dbraw/zinc/31/89/70/343318970.db2.gz NSMRQLPBDGAYIW-YFKPBYRVSA-N 0 0 173.237 1.343 10 0 ADAERN COCc1ncc(C(C)=O)s1 54159147 343318977 /nfs/dbraw/zinc/31/89/77/343318977.db2.gz GCMMBQGPTZCTGI-UHFFFAOYSA-N 0 0 171.221 1.492 10 0 ADAERN CCc1ncc(C(C)=O)s1 54159097 343319102 /nfs/dbraw/zinc/31/91/02/343319102.db2.gz ZHJZQYKVXRMGOC-UHFFFAOYSA-N 0 0 155.222 1.908 10 0 ADAERN Cc1ncc([C@@H](C)O)s1 54160694 343319114 /nfs/dbraw/zinc/31/91/14/343319114.db2.gz ZEQYCSSETKVJPJ-SCSAIBSYSA-N 0 0 143.211 1.505 10 0 ADAERN CC(=O)c1cnc([C@H]2CCOC2)s1 54159217 343319148 /nfs/dbraw/zinc/31/91/48/343319148.db2.gz SQMXCFACZQDKHQ-ZETCQYMHSA-N 0 0 197.259 1.850 10 0 ADAERN Cc1ncc([C@H](C)O)s1 54160695 343319168 /nfs/dbraw/zinc/31/91/68/343319168.db2.gz ZEQYCSSETKVJPJ-BYPYZUCNSA-N 0 0 143.211 1.505 10 0 ADAERN CNC(=O)c1cccc(F)c1NC 54205917 343319993 /nfs/dbraw/zinc/31/99/93/343319993.db2.gz OZGFPTGGZHZNRB-UHFFFAOYSA-N 0 0 182.198 1.227 10 0 ADAERN CCCNC(=O)c1cccc(F)c1N 54205717 343320036 /nfs/dbraw/zinc/32/00/36/343320036.db2.gz AMHQLOOHSDZMQN-UHFFFAOYSA-N 0 0 196.225 1.548 10 0 ADAERN CC(=O)NC(=O)c1cccc(F)c1F 54214363 343320098 /nfs/dbraw/zinc/32/00/98/343320098.db2.gz AZMIYDGTQBRLEW-UHFFFAOYSA-N 0 0 199.156 1.241 10 0 ADAERN OC1(c2cccnc2)CC1 54346661 343321597 /nfs/dbraw/zinc/32/15/97/343321597.db2.gz LIRJBYBLGJRTII-UHFFFAOYSA-N 0 0 135.166 1.063 10 0 ADAERN CCC[C@@H](C)C1(O)CC1 54346348 343321602 /nfs/dbraw/zinc/32/16/02/343321602.db2.gz CYAFNJNTPUIBAJ-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN OC1(c2ccc3c(c2)OCO3)CC1 54346762 343321604 /nfs/dbraw/zinc/32/16/04/343321604.db2.gz KLTXLZOZEANASI-UHFFFAOYSA-N 0 0 178.187 1.397 10 0 ADAERN COc1cccc(OC)c1C1(O)CC1 54346692 343321614 /nfs/dbraw/zinc/32/16/14/343321614.db2.gz RRLKKFNTACTIRV-UHFFFAOYSA-N 0 0 194.230 1.685 10 0 ADAERN CCC(CC)C1(O)CC1 54346710 343321618 /nfs/dbraw/zinc/32/16/18/343321618.db2.gz CXXHODOJVQAVES-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN OC1(c2cccc(F)c2)CC1 54346136 343321620 /nfs/dbraw/zinc/32/16/20/343321620.db2.gz PGGVKEGXQWAKGJ-UHFFFAOYSA-N 0 0 152.168 1.807 10 0 ADAERN CCCCC1(O)CC1 54346392 343321623 /nfs/dbraw/zinc/32/16/23/343321623.db2.gz ODGMSFYULMJQFQ-UHFFFAOYSA-N 0 0 114.188 1.702 10 0 ADAERN OC1(c2cc(F)cc(F)c2)CC1 54346222 343321628 /nfs/dbraw/zinc/32/16/28/343321628.db2.gz HTYCMQOPSNATPH-UHFFFAOYSA-N 0 0 170.158 1.946 10 0 ADAERN OC1(c2cccs2)CC1 54346831 343321632 /nfs/dbraw/zinc/32/16/32/343321632.db2.gz GFVAHNUXVLPLKX-UHFFFAOYSA-N 0 0 140.207 1.730 10 0 ADAERN OC1([C@H]2COc3ccccc3C2)CC1 54346426 343321642 /nfs/dbraw/zinc/32/16/42/343321642.db2.gz JTVBBQLKWHSZHJ-SNVBAGLBSA-N 0 0 190.242 1.763 10 0 ADAERN COc1cccc(CC2(O)CC2)c1 54346216 343321648 /nfs/dbraw/zinc/32/16/48/343321648.db2.gz YIDZHSUUSWLPGI-UHFFFAOYSA-N 0 0 178.231 1.763 10 0 ADAERN COc1cccc(C2(O)CC2)c1OC 54346319 343321657 /nfs/dbraw/zinc/32/16/57/343321657.db2.gz YJSJQULGWGBTGU-UHFFFAOYSA-N 0 0 194.230 1.685 10 0 ADAERN Cc1ncsc1C1(O)CC1 54346634 343321669 /nfs/dbraw/zinc/32/16/69/343321669.db2.gz ATFKCVAXKCYPOA-UHFFFAOYSA-N 0 0 155.222 1.433 10 0 ADAERN CCC[C@H](C)C1(O)CC1 54346350 343321684 /nfs/dbraw/zinc/32/16/84/343321684.db2.gz CYAFNJNTPUIBAJ-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1cccc(C2(O)CC2)n1 54346677 343321686 /nfs/dbraw/zinc/32/16/86/343321686.db2.gz LUTWOTBQGKMXGI-UHFFFAOYSA-N 0 0 149.193 1.371 10 0 ADAERN Cc1cc(C2(O)CC2)c(C)o1 54346195 343321689 /nfs/dbraw/zinc/32/16/89/343321689.db2.gz CPRMIQAOQOOIPS-UHFFFAOYSA-N 0 0 152.193 1.878 10 0 ADAERN C[C@@H]1Cc2cc(C3(O)CC3)ccc2O1 54346509 343321712 /nfs/dbraw/zinc/32/17/12/343321712.db2.gz WINHLADVDFRBGY-MRVPVSSYSA-N 0 0 190.242 1.991 10 0 ADAERN C[C@H]1Cc2cc(C3(O)CC3)ccc2O1 54346512 343321715 /nfs/dbraw/zinc/32/17/15/343321715.db2.gz WINHLADVDFRBGY-QMMMGPOBSA-N 0 0 190.242 1.991 10 0 ADAERN OC1([C@@H]2COc3ccccc3C2)CC1 54346423 343321728 /nfs/dbraw/zinc/32/17/28/343321728.db2.gz JTVBBQLKWHSZHJ-JTQLQIEISA-N 0 0 190.242 1.763 10 0 ADAERN O=CNc1ccc(-c2cc[nH]n2)cc1 54348171 343321736 /nfs/dbraw/zinc/32/17/36/343321736.db2.gz MSFINEPXLGHTOS-UHFFFAOYSA-N 0 0 187.202 1.645 10 0 ADAERN OC1(c2ccc3c(c2)OCCO3)CC1 54346370 343321759 /nfs/dbraw/zinc/32/17/59/343321759.db2.gz XNRFNSDTDNSDNU-UHFFFAOYSA-N 0 0 192.214 1.439 10 0 ADAERN COc1cc(OC)cc(C2(O)CC2)c1 54346133 343321762 /nfs/dbraw/zinc/32/17/62/343321762.db2.gz CZRGJHUHBNALFL-UHFFFAOYSA-N 0 0 194.230 1.685 10 0 ADAERN O=CNc1cccc(-c2cc[nH]n2)c1 54348169 343321764 /nfs/dbraw/zinc/32/17/64/343321764.db2.gz NZLILZZAQMYOIN-UHFFFAOYSA-N 0 0 187.202 1.645 10 0 ADAERN CN(C)c1ccc(C2(O)CC2)cc1 54346417 343321767 /nfs/dbraw/zinc/32/17/67/343321767.db2.gz SYRUYYWKDIIBSG-UHFFFAOYSA-N 0 0 177.247 1.734 10 0 ADAERN OC1(Cc2ccncc2)CC1 54346757 343321774 /nfs/dbraw/zinc/32/17/74/343321774.db2.gz SGMRSDPRZURANC-UHFFFAOYSA-N 0 0 149.193 1.149 10 0 ADAERN CC[C@@H](C)C1(O)CC1 54346199 343321780 /nfs/dbraw/zinc/32/17/80/343321780.db2.gz SRDOKRCFLKENLD-ZCFIWIBFSA-N 0 0 114.188 1.557 10 0 ADAERN OC1(c2cc(F)ccc2F)CC1 54346321 343321792 /nfs/dbraw/zinc/32/17/92/343321792.db2.gz MKWQBCOJLYOCEA-UHFFFAOYSA-N 0 0 170.158 1.946 10 0 ADAERN CC(C)(C)CC1(O)CC1 54346185 343321823 /nfs/dbraw/zinc/32/18/23/343321823.db2.gz KLWZPTZLBGKIER-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN OC1(Cc2ccccc2F)CC1 54346801 343321835 /nfs/dbraw/zinc/32/18/35/343321835.db2.gz SEWFYMLZNNTHNY-UHFFFAOYSA-N 0 0 166.195 1.893 10 0 ADAERN CN(C)c1cccc(C2(O)CC2)c1 54346415 343321840 /nfs/dbraw/zinc/32/18/40/343321840.db2.gz RDVCTYRSQPQKTN-UHFFFAOYSA-N 0 0 177.247 1.734 10 0 ADAERN OC1(Cc2cccs2)CC1 54346829 343321846 /nfs/dbraw/zinc/32/18/46/343321846.db2.gz OEBQUBWOYUHCLO-UHFFFAOYSA-N 0 0 154.234 1.816 10 0 ADAERN Cc1nn(C)c(C)c1C1(O)CC1 54346332 343321857 /nfs/dbraw/zinc/32/18/57/343321857.db2.gz BGBOFKPWVPOGKO-UHFFFAOYSA-N 0 0 166.224 1.018 10 0 ADAERN OC1(c2ccc(F)cc2F)CC1 54346188 343321859 /nfs/dbraw/zinc/32/18/59/343321859.db2.gz PLCOVICSZKZINQ-UHFFFAOYSA-N 0 0 170.158 1.946 10 0 ADAERN CC[C@H](C)C1(O)CC1 54346204 343321865 /nfs/dbraw/zinc/32/18/65/343321865.db2.gz SRDOKRCFLKENLD-LURJTMIESA-N 0 0 114.188 1.557 10 0 ADAERN OC1(c2c(F)cccc2F)CC1 54346207 343321868 /nfs/dbraw/zinc/32/18/68/343321868.db2.gz SRUNPIFYQNAODL-UHFFFAOYSA-N 0 0 170.158 1.946 10 0 ADAERN COc1cccc(C2(O)CC2)c1 54346169 343321871 /nfs/dbraw/zinc/32/18/71/343321871.db2.gz LASNYRBXMATPJP-UHFFFAOYSA-N 0 0 164.204 1.677 10 0 ADAERN CC(C)Sc1nccnc1C(=N)N 54381189 343322493 /nfs/dbraw/zinc/32/24/93/343322493.db2.gz HILDUQXHMBXWCZ-UHFFFAOYSA-N 0 0 196.279 1.261 10 0 ADAERN CCC(C)(C)c1n[nH]c(C)n1 54403654 343322960 /nfs/dbraw/zinc/32/29/60/343322960.db2.gz YZPYRHIHSLROQE-UHFFFAOYSA-N 0 0 153.229 1.801 10 0 ADAERN CCC(C)(C)C1N=NC(=S)N1 54403675 343322994 /nfs/dbraw/zinc/32/29/94/343322994.db2.gz FZSWEYORBBFANM-UHFFFAOYSA-N 0 0 171.269 1.781 10 0 ADAERN CC[C@@H](C)n1nc(C)nc1N 54404569 343323264 /nfs/dbraw/zinc/32/32/64/343323264.db2.gz KUBJDHRHHNMRJL-RXMQYKEDSA-N 0 0 154.217 1.140 10 0 ADAERN CCc1cc(N)nn1C(C)(C)C 54404796 343323267 /nfs/dbraw/zinc/32/32/67/343323267.db2.gz RAYXAEPCYXTKQP-UHFFFAOYSA-N 0 0 167.256 1.783 10 0 ADAERN CCC(C)(C)C1(O)CC1 54404483 343323296 /nfs/dbraw/zinc/32/32/96/343323296.db2.gz ZJOPRLJTZRRKNA-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN CCc1cc(N)nn1-c1ccccn1 54404789 343323324 /nfs/dbraw/zinc/32/33/24/343323324.db2.gz OFAIEVWXAADGAB-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN Cc1nc(N)n(C2CCCC2)n1 54404583 343323327 /nfs/dbraw/zinc/32/33/27/343323327.db2.gz AYVMVFMWXKJBBL-UHFFFAOYSA-N 0 0 166.228 1.284 10 0 ADAERN CCC(C)(C)c1nnc([C@@H](C)N)o1 54404442 343323335 /nfs/dbraw/zinc/32/33/35/343323335.db2.gz DZBAGDXOFCGLRS-ZCFIWIBFSA-N 0 0 183.255 1.777 10 0 ADAERN Cc1nc(N)n(-c2cccc(F)c2)n1 54404564 343323357 /nfs/dbraw/zinc/32/33/57/343323357.db2.gz RMHXBNLLMASVAR-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CCc1nc(N)n(C2CCCC2)n1 54404649 343323370 /nfs/dbraw/zinc/32/33/70/343323370.db2.gz QUTZABNEJLORPS-UHFFFAOYSA-N 0 0 180.255 1.538 10 0 ADAERN CC[C@H](C)n1nc(C)nc1N 54404570 343323373 /nfs/dbraw/zinc/32/33/73/343323373.db2.gz KUBJDHRHHNMRJL-YFKPBYRVSA-N 0 0 154.217 1.140 10 0 ADAERN Cc1nc(N)n(-c2ccccc2C)n1 54404524 343323376 /nfs/dbraw/zinc/32/33/76/343323376.db2.gz XQCSWUJTFRDTHG-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCc1cc(N)nn1C(C)C 54404818 343323381 /nfs/dbraw/zinc/32/33/81/343323381.db2.gz GAOGSVBQRILZKG-UHFFFAOYSA-N 0 0 153.229 1.609 10 0 ADAERN CCc1nc(N)n(C(C)(C)C)n1 54404617 343323415 /nfs/dbraw/zinc/32/34/15/343323415.db2.gz GRTFWIDCFNNMQD-UHFFFAOYSA-N 0 0 168.244 1.178 10 0 ADAERN CCc1nc(N)n(C2CCCCC2)n1 54404644 343323418 /nfs/dbraw/zinc/32/34/18/343323418.db2.gz DCLBFTYTHPYSLU-UHFFFAOYSA-N 0 0 194.282 1.928 10 0 ADAERN CCC(C)(C)c1nnc([C@H](C)N)o1 54404443 343323444 /nfs/dbraw/zinc/32/34/44/343323444.db2.gz DZBAGDXOFCGLRS-LURJTMIESA-N 0 0 183.255 1.777 10 0 ADAERN CCc1cc(N)nn1[C@H](C)C1CC1 54404822 343323450 /nfs/dbraw/zinc/32/34/50/343323450.db2.gz QZTFBYCYSRCHHX-SSDOTTSWSA-N 0 0 179.267 1.999 10 0 ADAERN CCC(CC)n1ncnc1N 54404572 343323459 /nfs/dbraw/zinc/32/34/59/343323459.db2.gz ZUOHZPOLTCKCJQ-UHFFFAOYSA-N 0 0 154.217 1.221 10 0 ADAERN CCc1cc(N)nn1[C@@H](C)C1CC1 54404821 343323467 /nfs/dbraw/zinc/32/34/67/343323467.db2.gz QZTFBYCYSRCHHX-ZETCQYMHSA-N 0 0 179.267 1.999 10 0 ADAERN C[C@H](C1CC1)n1ccc(N)n1 54404775 343323470 /nfs/dbraw/zinc/32/34/70/343323470.db2.gz AZZOUVOCRCMBAM-ZCFIWIBFSA-N 0 0 151.213 1.436 10 0 ADAERN CCC(C)(C)c1nnc(CN)o1 54404437 343323476 /nfs/dbraw/zinc/32/34/76/343323476.db2.gz YATXJHCFJABJCN-UHFFFAOYSA-N 0 0 169.228 1.216 10 0 ADAERN Cc1cccc(-n2ncnc2N)c1 54404525 343323479 /nfs/dbraw/zinc/32/34/79/343323479.db2.gz FGZNDFPDYXXFGR-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCc1cc(N)nn1CC(C)C 54404801 343323480 /nfs/dbraw/zinc/32/34/80/343323480.db2.gz ZDZNUACEAOXWAK-UHFFFAOYSA-N 0 0 167.256 1.684 10 0 ADAERN Cc1ccc(-n2ncnc2N)cc1 54404519 343323482 /nfs/dbraw/zinc/32/34/82/343323482.db2.gz OKQHXGCOUBSEPR-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCc1cc(N)nn1[C@H](C)CC 54404817 343323484 /nfs/dbraw/zinc/32/34/84/343323484.db2.gz OQKSVCWZJRKLIX-SSDOTTSWSA-N 0 0 167.256 1.999 10 0 ADAERN Cc1ccc(-n2ncnc2N)c(C)c1 54404543 343323485 /nfs/dbraw/zinc/32/34/85/343323485.db2.gz HJUFUDRWTVZESL-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCc1cc(N)nn1CC 54404823 343323488 /nfs/dbraw/zinc/32/34/88/343323488.db2.gz YSDFLVHDENTTLQ-UHFFFAOYSA-N 0 0 139.202 1.048 10 0 ADAERN Cc1ccccc1-n1ncnc1N 54404523 343323492 /nfs/dbraw/zinc/32/34/92/343323492.db2.gz AJJJYVBGBZGRPP-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C[C@H](c1ccc(N)cc1)n1cnnc1 54405065 343323665 /nfs/dbraw/zinc/32/36/65/343323665.db2.gz JJEJCZFWYDNREY-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN NC(=O)Nc1n[nH]c2ccccc12 54432964 343323711 /nfs/dbraw/zinc/32/37/11/343323711.db2.gz QLEWKHWFAPUGND-UHFFFAOYSA-N 0 0 176.179 1.054 10 0 ADAERN Cc1cn([C@H](C)C2CC2)nc1N 54404878 343323715 /nfs/dbraw/zinc/32/37/15/343323715.db2.gz FENCGWRGPLPNFN-SSDOTTSWSA-N 0 0 165.240 1.745 10 0 ADAERN C[C@H](c1ccccc1N)n1cnnc1 54405069 343323783 /nfs/dbraw/zinc/32/37/83/343323783.db2.gz SPSNRIQCSFCFCU-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN Cc1cn([C@@H](C)C2CC2)nc1N 54404877 343323785 /nfs/dbraw/zinc/32/37/85/343323785.db2.gz FENCGWRGPLPNFN-ZETCQYMHSA-N 0 0 165.240 1.745 10 0 ADAERN Cc1cn(-c2ccccc2F)nc1N 54404847 343323859 /nfs/dbraw/zinc/32/38/59/343323859.db2.gz MAYJTWLUTTZYOF-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN C[C@H](c1cccc(N)c1)n1cnnc1 54405067 343323909 /nfs/dbraw/zinc/32/39/09/343323909.db2.gz AIDKKRWAKKOWTA-MRVPVSSYSA-N 0 0 188.234 1.470 10 0 ADAERN CCCNC(=O)c1ccc(N)c(F)c1 54405094 343323913 /nfs/dbraw/zinc/32/39/13/343323913.db2.gz GQJGLAYFRLTHCI-UHFFFAOYSA-N 0 0 196.225 1.548 10 0 ADAERN O=CNc1n[nH]c2ccccc12 54432941 343323924 /nfs/dbraw/zinc/32/39/24/343323924.db2.gz DTGTVHOEAJUCNV-UHFFFAOYSA-N 0 0 161.164 1.131 10 0 ADAERN Cc1cn(C(C)(C)C)nc1N 54404851 343323926 /nfs/dbraw/zinc/32/39/26/343323926.db2.gz YQFQPAXKKZRNLV-UHFFFAOYSA-N 0 0 153.229 1.529 10 0 ADAERN CC(C)NC(=O)c1ccc(N)c(F)c1 54405102 343323954 /nfs/dbraw/zinc/32/39/54/343323954.db2.gz JYQNDDGULFRFKI-UHFFFAOYSA-N 0 0 196.225 1.546 10 0 ADAERN CCn1cc([C@@H](N)c2ccco2)cn1 54446458 343324085 /nfs/dbraw/zinc/32/40/85/343324085.db2.gz OQTSGEXZRNVBLH-SNVBAGLBSA-N 0 0 191.234 1.544 10 0 ADAERN CC(C)N1CCC(=O)N(C2CC2)C1=O 54457452 343324103 /nfs/dbraw/zinc/32/41/03/343324103.db2.gz BPLDWHWEMRHSIG-UHFFFAOYSA-N 0 0 196.250 1.212 10 0 ADAERN O=C1NC2(CCCC2)C(=O)N1C1CC1 54457481 343324105 /nfs/dbraw/zinc/32/41/05/343324105.db2.gz KRASHZFIVCCVEZ-UHFFFAOYSA-N 0 0 194.234 1.013 10 0 ADAERN O=C(c1cncnc1)c1ccco1 54445660 343324130 /nfs/dbraw/zinc/32/41/30/343324130.db2.gz VFHFBJCZUWYBKX-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN CCn1cc([C@H](N)c2ccco2)cn1 54446453 343324134 /nfs/dbraw/zinc/32/41/34/343324134.db2.gz OQTSGEXZRNVBLH-JTQLQIEISA-N 0 0 191.234 1.544 10 0 ADAERN Cn1cc(CC(=O)c2ccco2)cn1 54445646 343324146 /nfs/dbraw/zinc/32/41/46/343324146.db2.gz RHANFPAHMXIGBL-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN COC(OC)(OC)c1ccco1 54456596 343324180 /nfs/dbraw/zinc/32/41/80/343324180.db2.gz GVWRLUWVYXKONN-UHFFFAOYSA-N 0 0 172.180 1.329 10 0 ADAERN Cn1cc(C[C@H](O)c2ccco2)cn1 54445848 343324189 /nfs/dbraw/zinc/32/41/89/343324189.db2.gz SBSIOIINCDAAEC-VIFPVBQESA-N 0 0 192.218 1.289 10 0 ADAERN Cn1cc(C[C@@H](O)c2ccco2)cn1 54445852 343324197 /nfs/dbraw/zinc/32/41/97/343324197.db2.gz SBSIOIINCDAAEC-SECBINFHSA-N 0 0 192.218 1.289 10 0 ADAERN O[C@H](C[C@H]1CCCO1)c1ccco1 54446145 343324277 /nfs/dbraw/zinc/32/42/77/343324277.db2.gz LPQDQODDAHXHIQ-RKDXNWHRSA-N 0 0 182.219 1.882 10 0 ADAERN O=C(Nc1cccc(O)c1)NC1CC1 54457338 343324337 /nfs/dbraw/zinc/32/43/37/343324337.db2.gz NCVWQQQEHMNFKO-UHFFFAOYSA-N 0 0 192.218 1.676 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)c1ccco1 54446138 343324359 /nfs/dbraw/zinc/32/43/59/343324359.db2.gz LPQDQODDAHXHIQ-DTWKUNHWSA-N 0 0 182.219 1.882 10 0 ADAERN CC[C@H](C)CNc1cnccn1 54474546 343324450 /nfs/dbraw/zinc/32/44/50/343324450.db2.gz USNCLGUMSPDMAB-QMMMGPOBSA-N 0 0 165.240 1.935 10 0 ADAERN CC[C@H](C)CNc1c(N)c(C)nn1C 54466897 343324454 /nfs/dbraw/zinc/32/44/54/343324454.db2.gz NILIBPRUUCVJMT-ZETCQYMHSA-N 0 0 196.298 1.769 10 0 ADAERN CC[C@H](C)CN1C(=O)C=C(C)C1=O 54473579 343324471 /nfs/dbraw/zinc/32/44/71/343324471.db2.gz JYWWAYQLGIOGNY-ZETCQYMHSA-N 0 0 181.235 1.348 10 0 ADAERN CC[C@@H](C)Cn1cn[nH]c1=S 54475236 343324475 /nfs/dbraw/zinc/32/44/75/343324475.db2.gz PHZUKHALKUVJOV-ZCFIWIBFSA-N 0 0 171.269 1.987 10 0 ADAERN CC[C@H](C)Cn1cn[nH]c1=S 54475239 343324572 /nfs/dbraw/zinc/32/45/72/343324572.db2.gz PHZUKHALKUVJOV-LURJTMIESA-N 0 0 171.269 1.987 10 0 ADAERN CC[C@H](C)CNC#N 54470512 343324632 /nfs/dbraw/zinc/32/46/32/343324632.db2.gz GAGHDKJGTBEDHP-LURJTMIESA-N 0 0 112.176 1.103 10 0 ADAERN CC[C@@H](C)CNC#N 54470510 343324683 /nfs/dbraw/zinc/32/46/83/343324683.db2.gz GAGHDKJGTBEDHP-ZCFIWIBFSA-N 0 0 112.176 1.103 10 0 ADAERN CC[C@@H](C)CN1CCC(=O)C1 54472658 343324746 /nfs/dbraw/zinc/32/47/46/343324746.db2.gz DBYGJNWWLZEYNM-MRVPVSSYSA-N 0 0 155.241 1.307 10 0 ADAERN CC[C@H](C)CN1CCC(=O)C1 54472661 343324785 /nfs/dbraw/zinc/32/47/85/343324785.db2.gz DBYGJNWWLZEYNM-QMMMGPOBSA-N 0 0 155.241 1.307 10 0 ADAERN CC[C@@H](C)CN1C(=O)C=C(C)C1=O 54473577 343324873 /nfs/dbraw/zinc/32/48/73/343324873.db2.gz JYWWAYQLGIOGNY-SSDOTTSWSA-N 0 0 181.235 1.348 10 0 ADAERN CSCc1noc(Cl)n1 54496902 343324895 /nfs/dbraw/zinc/32/48/95/343324895.db2.gz CWWNNDBWSOHCCL-UHFFFAOYSA-N 0 0 164.617 1.586 10 0 ADAERN CSCC(=O)c1cncnc1 54494448 343324900 /nfs/dbraw/zinc/32/49/00/343324900.db2.gz CXPNIAGQMWGNPR-UHFFFAOYSA-N 0 0 168.221 1.022 10 0 ADAERN CSCc1nc(C)c(C)c(NN)n1 54497266 343324942 /nfs/dbraw/zinc/32/49/42/343324942.db2.gz OTBUQOLUIREXJW-UHFFFAOYSA-N 0 0 198.295 1.242 10 0 ADAERN CSC[C@H](O)C(C)C 54494589 343324947 /nfs/dbraw/zinc/32/49/47/343324947.db2.gz WBPBJDPQJMXOOQ-LURJTMIESA-N 0 0 134.244 1.366 10 0 ADAERN CCn1cnnc1-c1ccc(N)cc1 54497688 343324950 /nfs/dbraw/zinc/32/49/50/343324950.db2.gz WVUUVBUCNCNZDV-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CSCc1nc2c(c(=O)[nH]1)CCC2 54494271 343324972 /nfs/dbraw/zinc/32/49/72/343324972.db2.gz IWXLUDJVMNVXMW-UHFFFAOYSA-N 0 0 196.275 1.122 10 0 ADAERN CCc1c(C)nc(CSC)[nH]c1=O 54494268 343325009 /nfs/dbraw/zinc/32/50/09/343325009.db2.gz XLHHWLYQLIELLC-UHFFFAOYSA-N 0 0 198.291 1.504 10 0 ADAERN CCC[C@H](O)CSC 54494596 343325013 /nfs/dbraw/zinc/32/50/13/343325013.db2.gz PUEBMNMYEDUVST-LURJTMIESA-N 0 0 134.244 1.510 10 0 ADAERN Cc1cc(-c2nncn2C)ccc1N 54497542 343325059 /nfs/dbraw/zinc/32/50/59/343325059.db2.gz AAXPEASHSKPKJP-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CSCc1nc(C=O)cs1 54494245 343325083 /nfs/dbraw/zinc/32/50/83/343325083.db2.gz CWRMRKXWRPXASJ-UHFFFAOYSA-N 0 0 173.262 1.819 10 0 ADAERN CSC[C@H](O)c1cncc(F)c1 54494947 343325104 /nfs/dbraw/zinc/32/51/04/343325104.db2.gz RSCVYDPYTUUNHJ-QMMMGPOBSA-N 0 0 187.239 1.617 10 0 ADAERN CSC[C@H](O)c1cccnc1 54494572 343325134 /nfs/dbraw/zinc/32/51/34/343325134.db2.gz DFFJZXMXWGTBRS-QMMMGPOBSA-N 0 0 169.249 1.478 10 0 ADAERN CSC[C@@H](O)c1cncc(F)c1 54494949 343325139 /nfs/dbraw/zinc/32/51/39/343325139.db2.gz RSCVYDPYTUUNHJ-MRVPVSSYSA-N 0 0 187.239 1.617 10 0 ADAERN CSCc1ncc(C=O)s1 54496907 343325146 /nfs/dbraw/zinc/32/51/46/343325146.db2.gz LTZLMEXJQBVWKK-UHFFFAOYSA-N 0 0 173.262 1.819 10 0 ADAERN CCc1cc(NC)nc(CSC)n1 54497206 343325161 /nfs/dbraw/zinc/32/51/61/343325161.db2.gz DXINYXXDHPNRJH-UHFFFAOYSA-N 0 0 197.307 1.944 10 0 ADAERN CCc1cc(N)nc(CSC)n1 54497162 343325173 /nfs/dbraw/zinc/32/51/73/343325173.db2.gz KGLRLMMCEXSFEB-UHFFFAOYSA-N 0 0 183.280 1.484 10 0 ADAERN CSC[C@@H](O)c1cccnc1 54494574 343325202 /nfs/dbraw/zinc/32/52/02/343325202.db2.gz DFFJZXMXWGTBRS-MRVPVSSYSA-N 0 0 169.249 1.478 10 0 ADAERN CCc1c(C)nc(CSC)nc1N 54497156 343325203 /nfs/dbraw/zinc/32/52/03/343325203.db2.gz DVJQXQBSYGALTC-UHFFFAOYSA-N 0 0 197.307 1.793 10 0 ADAERN CSCC(=O)c1cncc(F)c1 54494401 343325207 /nfs/dbraw/zinc/32/52/07/343325207.db2.gz FEKTVIRNAAACFY-UHFFFAOYSA-N 0 0 185.223 1.766 10 0 ADAERN Cc1cccc(-c2nncn2C)c1N 54497477 343325213 /nfs/dbraw/zinc/32/52/13/343325213.db2.gz NJKLGBQINKPRFO-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCC[C@@H](O)CSC 54494598 343325217 /nfs/dbraw/zinc/32/52/17/343325217.db2.gz PUEBMNMYEDUVST-ZCFIWIBFSA-N 0 0 134.244 1.510 10 0 ADAERN CCn1ncnc1-c1cccc(N)c1 54498941 343325308 /nfs/dbraw/zinc/32/53/08/343325308.db2.gz PSTFKIUEDDZPJD-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC(C)(C)N1C(=O)N[C@H](C2CC2)C1=O 54503665 343325314 /nfs/dbraw/zinc/32/53/14/343325314.db2.gz XBVAEAUQEISGAC-SSDOTTSWSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1cc(-c2ncnn2C)ccc1N 54498657 343325391 /nfs/dbraw/zinc/32/53/91/343325391.db2.gz LQRYJAMSNQRYIZ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cc(N)ccc1-c1ncnn1C 54498705 343325395 /nfs/dbraw/zinc/32/53/95/343325395.db2.gz GEPCDKFGCUPIHR-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)(C)N1C(=O)N[C@@H](C2CC2)C1=O 54503662 343325412 /nfs/dbraw/zinc/32/54/12/343325412.db2.gz XBVAEAUQEISGAC-ZETCQYMHSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1nnc(N)n1C1CCCCC1 54499590 343325454 /nfs/dbraw/zinc/32/54/54/343325454.db2.gz CVPSFKAXYNTROB-UHFFFAOYSA-N 0 0 180.255 1.674 10 0 ADAERN Cc1ccc(N)c(-c2ncnn2C)c1 54498613 343325456 /nfs/dbraw/zinc/32/54/56/343325456.db2.gz JQALACZJTWMUIN-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCn1ncnc1-c1ccc(N)cc1 54498841 343325531 /nfs/dbraw/zinc/32/55/31/343325531.db2.gz ZEUNRPUGVWJRHI-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Cc1nnc(N)n1C1CCCC1 54499588 343325539 /nfs/dbraw/zinc/32/55/39/343325539.db2.gz DGOIYHBRIVVEFB-UHFFFAOYSA-N 0 0 166.228 1.284 10 0 ADAERN Cc1nnc(N)n1-c1ccccc1 54499591 343325614 /nfs/dbraw/zinc/32/56/14/343325614.db2.gz VTSDWTDXMXSXIJ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CO[C@@H]1C[C@H](C(C)C)CC[C@@H]1O 54558603 343325645 /nfs/dbraw/zinc/32/56/45/343325645.db2.gz UNNLEDNSBDYRGO-KXUCPTDWSA-N 0 0 172.268 1.818 10 0 ADAERN CO[C@@H]1C[C@H](C(C)C)CC[C@H]1O 54558605 343325792 /nfs/dbraw/zinc/32/57/92/343325792.db2.gz UNNLEDNSBDYRGO-OPRDCNLKSA-N 0 0 172.268 1.818 10 0 ADAERN CC(C)C1CCC(O)(C(N)=O)CC1 54557718 343325817 /nfs/dbraw/zinc/32/58/17/343325817.db2.gz ZJFRKYJZSLBOHW-UHFFFAOYSA-N 0 0 185.267 1.049 10 0 ADAERN CO[C@@H]1C[C@@H](C(C)C)CC[C@H]1O 54558606 343325916 /nfs/dbraw/zinc/32/59/16/343325916.db2.gz UNNLEDNSBDYRGO-IVZWLZJFSA-N 0 0 172.268 1.818 10 0 ADAERN CO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O 54558604 343325934 /nfs/dbraw/zinc/32/59/34/343325934.db2.gz UNNLEDNSBDYRGO-LPEHRKFASA-N 0 0 172.268 1.818 10 0 ADAERN Cc1ccnn1[C@@H]1CCC[C@H]1O 54599779 343326886 /nfs/dbraw/zinc/32/68/86/343326886.db2.gz ZTCNFNHVSPVNDO-RKDXNWHRSA-N 0 0 166.224 1.277 10 0 ADAERN CCc1cc(N)nn1[C@H]1CCC[C@H]1O 54599844 343326916 /nfs/dbraw/zinc/32/69/16/343326916.db2.gz DBHFUWHEZIXHOK-DTWKUNHWSA-N 0 0 195.266 1.114 10 0 ADAERN Cc1ccnn1[C@H]1CCC[C@H]1O 54599780 343326926 /nfs/dbraw/zinc/32/69/26/343326926.db2.gz ZTCNFNHVSPVNDO-DTWKUNHWSA-N 0 0 166.224 1.277 10 0 ADAERN Cc1ccnn1[C@@H]1CCCC[C@H]1O 54600255 343326929 /nfs/dbraw/zinc/32/69/29/343326929.db2.gz SICZVRUNTSORMK-NXEZZACHSA-N 0 0 180.251 1.668 10 0 ADAERN Cc1nn([C@H]2CCC[C@@H]2O)c(N)c1C 54599766 343326945 /nfs/dbraw/zinc/32/69/45/343326945.db2.gz SWIPUPBBGNRUFT-IUCAKERBSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1c(N)cnn1[C@@H]1CCCC[C@@H]1O 54600265 343326948 /nfs/dbraw/zinc/32/69/48/343326948.db2.gz OXHNCZACQIZRAT-ZJUUUORDSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1nn([C@@H]2CCC[C@H]2O)c(N)c1C 54599767 343326974 /nfs/dbraw/zinc/32/69/74/343326974.db2.gz SWIPUPBBGNRUFT-RKDXNWHRSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1ccnn1[C@H]1CCC[C@@H]1O 54599778 343326982 /nfs/dbraw/zinc/32/69/82/343326982.db2.gz ZTCNFNHVSPVNDO-IUCAKERBSA-N 0 0 166.224 1.277 10 0 ADAERN Cc1c(N)cnn1[C@@H]1CCCC[C@H]1O 54600267 343327026 /nfs/dbraw/zinc/32/70/26/343327026.db2.gz OXHNCZACQIZRAT-NXEZZACHSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1c(N)cnn1[C@H]1CCCC[C@@H]1O 54600266 343327038 /nfs/dbraw/zinc/32/70/38/343327038.db2.gz OXHNCZACQIZRAT-UWVGGRQHSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1ccnn1[C@@H]1CCC[C@@H]1O 54599777 343327047 /nfs/dbraw/zinc/32/70/47/343327047.db2.gz ZTCNFNHVSPVNDO-BDAKNGLRSA-N 0 0 166.224 1.277 10 0 ADAERN Cc1ccnn1[C@H]1CCCC[C@@H]1O 54600254 343327059 /nfs/dbraw/zinc/32/70/59/343327059.db2.gz SICZVRUNTSORMK-UWVGGRQHSA-N 0 0 180.251 1.668 10 0 ADAERN CCc1cc(N)nn1[C@H]1CCC[C@@H]1O 54599842 343327064 /nfs/dbraw/zinc/32/70/64/343327064.db2.gz DBHFUWHEZIXHOK-IUCAKERBSA-N 0 0 195.266 1.114 10 0 ADAERN Cc1nn([C@@H]2CCC[C@H]2O)c(C)c1N 54599783 343327067 /nfs/dbraw/zinc/32/70/67/343327067.db2.gz MQUAJEWTRXIXLT-RKDXNWHRSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1cn([C@@H]2CCCC[C@@H]2O)nc1N 54600321 343327072 /nfs/dbraw/zinc/32/70/72/343327072.db2.gz XELGZOZILHQLFJ-BDAKNGLRSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1nn([C@@H]2CCC[C@@H]2O)c(N)c1C 54599765 343327100 /nfs/dbraw/zinc/32/71/00/343327100.db2.gz SWIPUPBBGNRUFT-BDAKNGLRSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1c(C=O)cnn1[C@H]1CCC[C@H]1O 54599486 343327103 /nfs/dbraw/zinc/32/71/03/343327103.db2.gz AIHJJGUMWSTMEH-VHSXEESVSA-N 0 0 194.234 1.090 10 0 ADAERN Cc1c(C=O)cnn1[C@@H]1CCC[C@@H]1O 54599483 343327106 /nfs/dbraw/zinc/32/71/06/343327106.db2.gz AIHJJGUMWSTMEH-ZJUUUORDSA-N 0 0 194.234 1.090 10 0 ADAERN Cc1c(C=O)cnn1[C@H]1CCC[C@@H]1O 54599484 343327110 /nfs/dbraw/zinc/32/71/10/343327110.db2.gz AIHJJGUMWSTMEH-UWVGGRQHSA-N 0 0 194.234 1.090 10 0 ADAERN Cc1cn([C@@H]2CCCC[C@H]2O)nc1N 54600323 343327121 /nfs/dbraw/zinc/32/71/21/343327121.db2.gz XELGZOZILHQLFJ-RKDXNWHRSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1nn([C@H]2CCC[C@@H]2O)c(C)c1N 54599782 343327128 /nfs/dbraw/zinc/32/71/28/343327128.db2.gz MQUAJEWTRXIXLT-IUCAKERBSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1ccnn1[C@H]1CCCC[C@H]1O 54600256 343327153 /nfs/dbraw/zinc/32/71/53/343327153.db2.gz SICZVRUNTSORMK-VHSXEESVSA-N 0 0 180.251 1.668 10 0 ADAERN Cc1ccnn1[C@@H]1CCCC[C@@H]1O 54600253 343327164 /nfs/dbraw/zinc/32/71/64/343327164.db2.gz SICZVRUNTSORMK-ZJUUUORDSA-N 0 0 180.251 1.668 10 0 ADAERN CCc1cc(N)nn1[C@@H]1CCC[C@@H]1O 54599841 343327171 /nfs/dbraw/zinc/32/71/71/343327171.db2.gz DBHFUWHEZIXHOK-BDAKNGLRSA-N 0 0 195.266 1.114 10 0 ADAERN Cc1nn([C@@H]2CCC[C@@H]2O)c(C)c1N 54599781 343327179 /nfs/dbraw/zinc/32/71/79/343327179.db2.gz MQUAJEWTRXIXLT-BDAKNGLRSA-N 0 0 195.266 1.168 10 0 ADAERN Cc1cn([C@H]2CCCC[C@@H]2O)nc1N 54600322 343327188 /nfs/dbraw/zinc/32/71/88/343327188.db2.gz XELGZOZILHQLFJ-IUCAKERBSA-N 0 0 195.266 1.250 10 0 ADAERN Cc1c(N)cnn1[C@H]1CCCC[C@H]1O 54600268 343327194 /nfs/dbraw/zinc/32/71/94/343327194.db2.gz OXHNCZACQIZRAT-VHSXEESVSA-N 0 0 195.266 1.250 10 0 ADAERN CCc1cc(N)nn1[C@@H]1CCC[C@H]1O 54599843 343327195 /nfs/dbraw/zinc/32/71/95/343327195.db2.gz DBHFUWHEZIXHOK-RKDXNWHRSA-N 0 0 195.266 1.114 10 0 ADAERN NNC[C@@H]1CCCc2ccccc21 54668606 343327352 /nfs/dbraw/zinc/32/73/52/343327352.db2.gz KAWDKTPTZDOJPX-JTQLQIEISA-N 0 0 176.263 1.570 10 0 ADAERN NNC[C@H]1CCCc2ccccc21 54668605 343327408 /nfs/dbraw/zinc/32/74/08/343327408.db2.gz KAWDKTPTZDOJPX-SNVBAGLBSA-N 0 0 176.263 1.570 10 0 ADAERN Cn1cc(Nc2ncccc2F)cn1 54700599 343327745 /nfs/dbraw/zinc/32/77/45/343327745.db2.gz DDSVIXRBKISUIP-UHFFFAOYSA-N 0 0 192.197 1.698 10 0 ADAERN CC(C)c1nnc(C(C)(C)CO)[nH]1 54701354 343327757 /nfs/dbraw/zinc/32/77/57/343327757.db2.gz PMHQYKSEHINCST-UHFFFAOYSA-N 0 0 183.255 1.198 10 0 ADAERN C[C@@H](O)c1nc(-c2cccs2)n[nH]1 54700097 343327797 /nfs/dbraw/zinc/32/77/97/343327797.db2.gz VTHYJOQHHHLNLL-RXMQYKEDSA-N 0 0 195.247 1.587 10 0 ADAERN C=CS(=O)(=O)c1ncccc1F 54700986 343327798 /nfs/dbraw/zinc/32/77/98/343327798.db2.gz MTWZVQUXVDSKLE-UHFFFAOYSA-N 0 0 187.195 1.138 10 0 ADAERN C[C@H](O)c1nc(-c2cccs2)n[nH]1 54700096 343327803 /nfs/dbraw/zinc/32/78/03/343327803.db2.gz VTHYJOQHHHLNLL-YFKPBYRVSA-N 0 0 195.247 1.587 10 0 ADAERN CC(C)(CO)c1nc2cccnc2[nH]1 54701370 343327833 /nfs/dbraw/zinc/32/78/33/343327833.db2.gz HSCKXFPQYGTQNR-UHFFFAOYSA-N 0 0 191.234 1.228 10 0 ADAERN CC[C@@H](C)n1nc(C)c(CO)c1C 54722975 343328120 /nfs/dbraw/zinc/32/81/20/343328120.db2.gz NOYHUSQKBNZMMT-SSDOTTSWSA-N 0 0 182.267 1.963 10 0 ADAERN Cc1nn(CC2CC2)c(C)c1[C@H](C)O 54723285 343328121 /nfs/dbraw/zinc/32/81/21/343328121.db2.gz CCOBMPQBCZZBEC-VIFPVBQESA-N 0 0 194.278 1.963 10 0 ADAERN CC[C@H](O)c1c(C)n[nH]c1C 54741675 343328131 /nfs/dbraw/zinc/32/81/31/343328131.db2.gz OMLPTPZEKZDWPJ-ZETCQYMHSA-N 0 0 154.213 1.470 10 0 ADAERN CC[C@@H](C)n1cc(CO)cn1 54724036 343328164 /nfs/dbraw/zinc/32/81/64/343328164.db2.gz KZWMEPPABSOTMW-SSDOTTSWSA-N 0 0 154.213 1.346 10 0 ADAERN CC[C@@H](C)n1cc([C@H](C)O)cn1 54724476 343328174 /nfs/dbraw/zinc/32/81/74/343328174.db2.gz GKTZFPFCCRJIGU-SFYZADRCSA-N 0 0 168.240 1.907 10 0 ADAERN CC[C@H](C)n1cc([C@H](C)O)cn1 54724479 343328197 /nfs/dbraw/zinc/32/81/97/343328197.db2.gz GKTZFPFCCRJIGU-YUMQZZPRSA-N 0 0 168.240 1.907 10 0 ADAERN CC(C)Cn1cc([C@@H](C)O)cn1 54724206 343328222 /nfs/dbraw/zinc/32/82/22/343328222.db2.gz QFERGDYVKSLNCE-MRVPVSSYSA-N 0 0 168.240 1.592 10 0 ADAERN CC[C@H](C)n1nc(C)c(CO)c1C 54722978 343328227 /nfs/dbraw/zinc/32/82/27/343328227.db2.gz NOYHUSQKBNZMMT-ZETCQYMHSA-N 0 0 182.267 1.963 10 0 ADAERN Cc1nn(CC2CC2)c(C)c1[C@@H](C)O 54723283 343328231 /nfs/dbraw/zinc/32/82/31/343328231.db2.gz CCOBMPQBCZZBEC-SECBINFHSA-N 0 0 194.278 1.963 10 0 ADAERN CC[C@H](C)n1cc(CO)cn1 54724038 343328262 /nfs/dbraw/zinc/32/82/62/343328262.db2.gz KZWMEPPABSOTMW-ZETCQYMHSA-N 0 0 154.213 1.346 10 0 ADAERN Cc1nn(CC(F)F)c(C)c1CO 54722968 343328243 /nfs/dbraw/zinc/32/82/43/343328243.db2.gz OBXHYISHPFODSQ-UHFFFAOYSA-N 0 0 190.193 1.257 10 0 ADAERN OCc1cnn(CC2CCCCC2)c1 54724023 343328253 /nfs/dbraw/zinc/32/82/53/343328253.db2.gz PUPLZKCQBSFKSS-UHFFFAOYSA-N 0 0 194.278 1.956 10 0 ADAERN OCc1cnn(C2CCCCC2)c1 54724033 343328258 /nfs/dbraw/zinc/32/82/58/343328258.db2.gz IBLLNQHWRBVLKD-UHFFFAOYSA-N 0 0 180.251 1.881 10 0 in-vitro ADAERN CC[C@@H](O)c1c(C)n[nH]c1C 54741676 343328260 /nfs/dbraw/zinc/32/82/60/343328260.db2.gz OMLPTPZEKZDWPJ-SSDOTTSWSA-N 0 0 154.213 1.470 10 0 ADAERN CCC(=O)c1c(C)n[nH]c1C 54741710 343328279 /nfs/dbraw/zinc/32/82/79/343328279.db2.gz PHYOGGZZDVVPBS-UHFFFAOYSA-N 0 0 152.197 1.619 10 0 ADAERN Cc1n[nH]c(C)c1NCc1c[nH]cn1 54764094 343328785 /nfs/dbraw/zinc/32/87/85/343328785.db2.gz SMCWVOQOAXLUBR-UHFFFAOYSA-N 0 0 191.238 1.362 10 0 ADAERN O=Cc1ccnc(C[C@@H]2CCCO2)n1 54791004 343329089 /nfs/dbraw/zinc/32/90/89/343329089.db2.gz VNLSEDFDKGVABL-VIFPVBQESA-N 0 0 192.218 1.011 10 0 ADAERN O=Cc1ccnc(Cc2ccncc2)n1 54790956 343329093 /nfs/dbraw/zinc/32/90/93/343329093.db2.gz YHBXHLDQXBAXDT-UHFFFAOYSA-N 0 0 199.213 1.275 10 0 ADAERN Cc1nc[nH]c1CNc1cn[nH]c1 54794593 343329097 /nfs/dbraw/zinc/32/90/97/343329097.db2.gz HMFDWEXKDCVNIZ-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN O=Cc1ccnc(C2CCCC2)n1 54790989 343329107 /nfs/dbraw/zinc/32/91/07/343329107.db2.gz DQWYZVSYGSRUAN-UHFFFAOYSA-N 0 0 176.219 1.947 10 0 ADAERN Cc1nc(CNc2cn[nH]c2)c[nH]1 54821630 343329122 /nfs/dbraw/zinc/32/91/22/343329122.db2.gz GGZHGQUXWFYBIT-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN OCc1ccnc(-c2ccsc2)n1 54793106 343329131 /nfs/dbraw/zinc/32/91/31/343329131.db2.gz ZTYIPZNSEBNAEN-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN O=Cc1ccnc(CC(F)(F)F)n1 54790965 343329134 /nfs/dbraw/zinc/32/91/34/343329134.db2.gz BPYNOYDDPPKYSY-UHFFFAOYSA-N 0 0 190.124 1.394 10 0 ADAERN O=Cc1ccnc(-c2ccco2)n1 54790953 343329136 /nfs/dbraw/zinc/32/91/36/343329136.db2.gz XDMDXTYKJQGOPR-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CC(C)(C)c1nccc(CO)n1 54792872 343329143 /nfs/dbraw/zinc/32/91/43/343329143.db2.gz GWPGFJXJTAVWJU-UHFFFAOYSA-N 0 0 166.224 1.266 10 0 ADAERN CSCc1nccc(C=O)n1 54790955 343329150 /nfs/dbraw/zinc/32/91/50/343329150.db2.gz ZDEHKKOOZYBVDY-UHFFFAOYSA-N 0 0 168.221 1.152 10 0 ADAERN O=Cc1ccnc(C[C@H]2CCCO2)n1 54791005 343329174 /nfs/dbraw/zinc/32/91/74/343329174.db2.gz VNLSEDFDKGVABL-SECBINFHSA-N 0 0 192.218 1.011 10 0 ADAERN OCc1ccnc(C2CCCC2)n1 54792994 343329190 /nfs/dbraw/zinc/32/91/90/343329190.db2.gz UCPDFLDADZPOOE-UHFFFAOYSA-N 0 0 178.235 1.627 10 0 ADAERN Cc1nc[nH]c1CNc1cnn(C)c1 54794585 343329201 /nfs/dbraw/zinc/32/92/01/343329201.db2.gz UJJDKYHTKAGUJD-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN O=Cc1ccnc(-c2ccncc2)n1 54791002 343329210 /nfs/dbraw/zinc/32/92/10/343329210.db2.gz UCLZSKKNDRDSMK-UHFFFAOYSA-N 0 0 185.186 1.351 10 0 ADAERN CC(C)Cc1nccc(CO)n1 54793038 343329218 /nfs/dbraw/zinc/32/92/18/343329218.db2.gz XBFQUVFQECJGJN-UHFFFAOYSA-N 0 0 166.224 1.167 10 0 ADAERN Cc1nc(CNc2cccnc2)c[nH]1 54797723 343329274 /nfs/dbraw/zinc/32/92/74/343329274.db2.gz CLQLFZWHKOLGKP-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN O=Cc1ccnc(-c2cccnc2)n1 54790961 343329332 /nfs/dbraw/zinc/32/93/32/343329332.db2.gz CKAZJJHFCZQNKM-UHFFFAOYSA-N 0 0 185.186 1.351 10 0 ADAERN Cc1nc[nH]c1CNc1cccnc1 54793460 343329342 /nfs/dbraw/zinc/32/93/42/343329342.db2.gz MNHZJEDLQMIYCJ-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN O=Cc1ccnc(Cc2ccccn2)n1 54791000 343329443 /nfs/dbraw/zinc/32/94/43/343329443.db2.gz OQYFUBKWIANVJT-UHFFFAOYSA-N 0 0 199.213 1.275 10 0 ADAERN OCc1ccnc(-c2cccnc2)n1 54792912 343329449 /nfs/dbraw/zinc/32/94/49/343329449.db2.gz ZIXIUUBJOCYJPN-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN Cc1cc(C=O)nc(-c2cccnc2)n1 54830450 343330238 /nfs/dbraw/zinc/33/02/38/343330238.db2.gz BISCMODZLFQECF-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN Cc1cc(C=O)nc(CC(C)C)n1 54830441 343330241 /nfs/dbraw/zinc/33/02/41/343330241.db2.gz GCGTUMFTVBCXMX-UHFFFAOYSA-N 0 0 178.235 1.796 10 0 ADAERN Cc1cc(CO)nc(C(C)(C)C)n1 54830192 343330254 /nfs/dbraw/zinc/33/02/54/343330254.db2.gz MISXAWORVGWHBJ-UHFFFAOYSA-N 0 0 180.251 1.575 10 0 ADAERN Cc1cccnc1-c1ncc(C=O)cn1 54855230 343330333 /nfs/dbraw/zinc/33/03/33/343330333.db2.gz ZKFNMJHQKYUHNP-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN CC(C)Cc1ncc(C=O)cn1 54855215 343330359 /nfs/dbraw/zinc/33/03/59/343330359.db2.gz HERNTFGFOVSBSU-UHFFFAOYSA-N 0 0 164.208 1.488 10 0 ADAERN CCCc1nc(C)cc(CO)n1 54830252 343330367 /nfs/dbraw/zinc/33/03/67/343330367.db2.gz LHDSKPWFGVHDDQ-UHFFFAOYSA-N 0 0 166.224 1.230 10 0 ADAERN O=Cc1cnc(Cc2cccnc2)nc1 54855222 343330377 /nfs/dbraw/zinc/33/03/77/343330377.db2.gz VIEWKSYVWOXRBF-UHFFFAOYSA-N 0 0 199.213 1.275 10 0 ADAERN Cc1cc(C=O)nc(C2CC2)n1 54830439 343330386 /nfs/dbraw/zinc/33/03/86/343330386.db2.gz CSLVRDRMOPRVCX-UHFFFAOYSA-N 0 0 162.192 1.475 10 0 ADAERN CSCc1ncc(C=O)cn1 54855219 343330395 /nfs/dbraw/zinc/33/03/95/343330395.db2.gz BGWFKGQIIHPPCR-UHFFFAOYSA-N 0 0 168.221 1.152 10 0 ADAERN Cc1cc(C=O)nc(C(C)C)n1 54830443 343330410 /nfs/dbraw/zinc/33/04/10/343330410.db2.gz IOMGVJPSINIHPG-UHFFFAOYSA-N 0 0 164.208 1.721 10 0 ADAERN Cc1cc(C=O)nc(-c2ccccn2)n1 54830568 343330441 /nfs/dbraw/zinc/33/04/41/343330441.db2.gz VBZUMTUUBAYRHH-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN C[C@@H]1CCN(c2ncc(CO)s2)C1 54911602 343330594 /nfs/dbraw/zinc/33/05/94/343330594.db2.gz KHIZLGZPPVNSII-SSDOTTSWSA-N 0 0 198.291 1.482 10 0 ADAERN CC(=O)c1cnc(N2CCCC2)s1 54861446 343330642 /nfs/dbraw/zinc/33/06/42/343330642.db2.gz HSBVRKFFBXKQMY-UHFFFAOYSA-N 0 0 196.275 1.946 10 0 ADAERN C[C@@H]1CCCN1c1ncc(CO)s1 54910128 343330646 /nfs/dbraw/zinc/33/06/46/343330646.db2.gz FLZZUDRMVPAVMK-SSDOTTSWSA-N 0 0 198.291 1.624 10 0 ADAERN C[C@H]1CCN(c2ncc(C=O)s2)C1 54862625 343330652 /nfs/dbraw/zinc/33/06/52/343330652.db2.gz AWXCBAOIPLHWNZ-ZETCQYMHSA-N 0 0 196.275 1.802 10 0 ADAERN C[C@H](O)c1cnc(N2CCCC2)s1 54910305 343330679 /nfs/dbraw/zinc/33/06/79/343330679.db2.gz NAQNUAYSPQZNEY-ZETCQYMHSA-N 0 0 198.291 1.797 10 0 ADAERN OCc1cnc(C2CCCC2)nc1 54857043 343330689 /nfs/dbraw/zinc/33/06/89/343330689.db2.gz XYDMFGDWEFHJEC-UHFFFAOYSA-N 0 0 178.235 1.627 10 0 ADAERN CCN(C)c1ncc([C@@H](C)O)s1 54910780 343330693 /nfs/dbraw/zinc/33/06/93/343330693.db2.gz XHOHHBQVSMGGFV-ZCFIWIBFSA-N 0 0 186.280 1.653 10 0 ADAERN CC(C)Cc1ncc(CO)cn1 54857067 343330700 /nfs/dbraw/zinc/33/07/00/343330700.db2.gz IBZMRAZGEQKLSP-UHFFFAOYSA-N 0 0 166.224 1.167 10 0 ADAERN CN(C)c1nc2c(s1)[C@@H](O)CCC2 54910521 343330713 /nfs/dbraw/zinc/33/07/13/343330713.db2.gz PMRGWAKBILBXLG-ZETCQYMHSA-N 0 0 198.291 1.579 10 0 ADAERN C[C@H]1CCN(c2ncc(CO)s2)C1 54911603 343330734 /nfs/dbraw/zinc/33/07/34/343330734.db2.gz KHIZLGZPPVNSII-ZETCQYMHSA-N 0 0 198.291 1.482 10 0 ADAERN C[C@@H](O)c1cnc(N(C)C2CC2)s1 54910821 343330758 /nfs/dbraw/zinc/33/07/58/343330758.db2.gz RYJHEPUMLONECQ-ZCFIWIBFSA-N 0 0 198.291 1.795 10 0 ADAERN C[C@@H](O)c1cnc(N2CCCC2)s1 54910308 343330766 /nfs/dbraw/zinc/33/07/66/343330766.db2.gz NAQNUAYSPQZNEY-SSDOTTSWSA-N 0 0 198.291 1.797 10 0 ADAERN C[C@H]1CCCN1c1ncc(C=O)s1 54861295 343330820 /nfs/dbraw/zinc/33/08/20/343330820.db2.gz YEMZADNVSZODGA-ZETCQYMHSA-N 0 0 196.275 1.944 10 0 ADAERN CC(C)N(C)c1ncc(C=O)s1 54861597 343330830 /nfs/dbraw/zinc/33/08/30/343330830.db2.gz IDRLFVPGTOPKDD-UHFFFAOYSA-N 0 0 184.264 1.800 10 0 ADAERN C[C@@H]1CCN(c2ncc(C=O)s2)C1 54862623 343330858 /nfs/dbraw/zinc/33/08/58/343330858.db2.gz AWXCBAOIPLHWNZ-SSDOTTSWSA-N 0 0 196.275 1.802 10 0 ADAERN C[C@H]1CCCN1c1ncc(CO)s1 54910130 343330895 /nfs/dbraw/zinc/33/08/95/343330895.db2.gz FLZZUDRMVPAVMK-ZETCQYMHSA-N 0 0 198.291 1.624 10 0 ADAERN CCC[C@H]1CCc2n[nH]c(=O)cc2C1 54930805 343331053 /nfs/dbraw/zinc/33/10/53/343331053.db2.gz NFQCCSJRCJHDSX-QMMMGPOBSA-N 0 0 192.262 1.675 10 0 ADAERN Cc1cc(=O)[nH]nc1-c1ccco1 54930864 343331061 /nfs/dbraw/zinc/33/10/61/343331061.db2.gz KGJSFYUGJJHXFO-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN COCc1cc(Cl)nnc1C 54930890 343331068 /nfs/dbraw/zinc/33/10/68/343331068.db2.gz DUUAVWNWBFKWJW-UHFFFAOYSA-N 0 0 172.615 1.585 10 0 ADAERN Nc1cc2c(nn1)-c1ccccc1C2 54930965 343331116 /nfs/dbraw/zinc/33/11/16/343331116.db2.gz NJDODAXQMHBGST-UHFFFAOYSA-N 0 0 183.214 1.630 10 0 ADAERN CC[C@@H]1CCc2n[nH]c(=O)cc2C1 54930838 343331152 /nfs/dbraw/zinc/33/11/52/343331152.db2.gz LSJHKPSXXFJKIO-SSDOTTSWSA-N 0 0 178.235 1.285 10 0 ADAERN CC(C)[C@@H]1CCc2n[nH]c(=O)cc2C1 54930862 343331160 /nfs/dbraw/zinc/33/11/60/343331160.db2.gz HDZLWNZXZGIPJW-MRVPVSSYSA-N 0 0 192.262 1.531 10 0 ADAERN CC[C@H](C)c1ccc(=O)[nH]n1 54930808 343331169 /nfs/dbraw/zinc/33/11/69/343331169.db2.gz LBVSWVAEPBCTLP-LURJTMIESA-N 0 0 152.197 1.283 10 0 ADAERN O=c1cc2c(n[nH]1)CCCCCC2 54930837 343331175 /nfs/dbraw/zinc/33/11/75/343331175.db2.gz XHODFDXIACNTEQ-UHFFFAOYSA-N 0 0 178.235 1.429 10 0 ADAERN CC[C@@H]1CCc2nnc(N)cc2C1 54930981 343331188 /nfs/dbraw/zinc/33/11/88/343331188.db2.gz TYPAHLWZWJPNHR-SSDOTTSWSA-N 0 0 177.251 1.574 10 0 ADAERN C[C@H]1CCCc2cc(=O)[nH]nc21 54930841 343331198 /nfs/dbraw/zinc/33/11/98/343331198.db2.gz UEFVEEZFMMMHQC-LURJTMIESA-N 0 0 164.208 1.210 10 0 ADAERN C[C@H]1CCCc2cc(N)nnc21 54930984 343331204 /nfs/dbraw/zinc/33/12/04/343331204.db2.gz CUTSOCPWNHEPRL-LURJTMIESA-N 0 0 163.224 1.499 10 0 ADAERN CC(C)[C@H]1CCc2n[nH]c(=O)cc2C1 54930863 343331217 /nfs/dbraw/zinc/33/12/17/343331217.db2.gz HDZLWNZXZGIPJW-QMMMGPOBSA-N 0 0 192.262 1.531 10 0 ADAERN C[C@@H]1CCCc2cc(=O)[nH]nc21 54930840 343331218 /nfs/dbraw/zinc/33/12/18/343331218.db2.gz UEFVEEZFMMMHQC-ZCFIWIBFSA-N 0 0 164.208 1.210 10 0 ADAERN CC[C@@H](C)c1ccc(=O)[nH]n1 54930807 343331255 /nfs/dbraw/zinc/33/12/55/343331255.db2.gz LBVSWVAEPBCTLP-ZCFIWIBFSA-N 0 0 152.197 1.283 10 0 ADAERN CCC[C@@H]1CCc2n[nH]c(=O)cc2C1 54930804 343331263 /nfs/dbraw/zinc/33/12/63/343331263.db2.gz NFQCCSJRCJHDSX-MRVPVSSYSA-N 0 0 192.262 1.675 10 0 ADAERN CC[C@H]1CCc2n[nH]c(=O)cc2C1 54930839 343331303 /nfs/dbraw/zinc/33/13/03/343331303.db2.gz LSJHKPSXXFJKIO-ZETCQYMHSA-N 0 0 178.235 1.285 10 0 ADAERN CCc1nnc(NC)cc1C 54931073 343331322 /nfs/dbraw/zinc/33/13/22/343331322.db2.gz RXFRQQORADBZEQ-UHFFFAOYSA-N 0 0 151.213 1.389 10 0 ADAERN C[C@H]1CCc2nnc(N)cc2C1 54930956 343331327 /nfs/dbraw/zinc/33/13/27/343331327.db2.gz MCDVVKJHWWAJEK-LURJTMIESA-N 0 0 163.224 1.184 10 0 ADAERN CCCc1n[nH]c(=O)cc1CC 54930815 343331334 /nfs/dbraw/zinc/33/13/34/343331334.db2.gz DMESKPCPGXMZBS-UHFFFAOYSA-N 0 0 166.224 1.285 10 0 ADAERN CC(=O)COc1cc(F)cc(F)c1 54933376 343331896 /nfs/dbraw/zinc/33/18/96/343331896.db2.gz LRWODNWNBAIUNO-UHFFFAOYSA-N 0 0 186.157 1.933 10 0 ADAERN O=c1[nH]c2c(F)cc(F)cc2o1 54932555 343331949 /nfs/dbraw/zinc/33/19/49/343331949.db2.gz OZPHZGZNOKFGNC-UHFFFAOYSA-N 0 0 171.102 1.812 10 0 ADAERN Cc1nccc(NCc2cn[nH]c2)n1 54935968 343332071 /nfs/dbraw/zinc/33/20/71/343332071.db2.gz PHKZVAIGPBDILJ-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1nccc(N[C@@H]2C[C@@H]2C)n1 54936541 343332175 /nfs/dbraw/zinc/33/21/75/343332175.db2.gz JHOXLZNKPNXLSB-POYBYMJQSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1nccc(N[C@H]2C[C@H]2C)n1 54936551 343332183 /nfs/dbraw/zinc/33/21/83/343332183.db2.gz JHOXLZNKPNXLSB-SVRRBLITSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1nccc(N[C@H]2C[C@@H]2C)n1 54936543 343332192 /nfs/dbraw/zinc/33/21/92/343332192.db2.gz JHOXLZNKPNXLSB-XPUUQOCRSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1nccc(N[C@@H]2C[C@H]2C)n1 54936548 343332239 /nfs/dbraw/zinc/33/22/39/343332239.db2.gz JHOXLZNKPNXLSB-HTRCEHHLSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1nc(N(C)C2CC2)sc1C=O 54966779 343332528 /nfs/dbraw/zinc/33/25/28/343332528.db2.gz UGBFHQSYPLDCSX-UHFFFAOYSA-N 0 0 196.275 1.863 10 0 ADAERN CSCc1ncc([C@@H](C)O)c(C)n1 54963316 343332540 /nfs/dbraw/zinc/33/25/40/343332540.db2.gz WBYFLOPQVKEXOJ-SSDOTTSWSA-N 0 0 198.291 1.701 10 0 ADAERN CCc1nc(N(C)C)sc1CO 55002892 343332547 /nfs/dbraw/zinc/33/25/47/343332547.db2.gz FYPGWNPYZGYWPV-UHFFFAOYSA-N 0 0 186.280 1.264 10 0 ADAERN Cc1nc(C2CC2)ncc1[C@H](C)O 54963251 343332573 /nfs/dbraw/zinc/33/25/73/343332573.db2.gz HEJYXABRIBUVDG-ZETCQYMHSA-N 0 0 178.235 1.716 10 0 ADAERN CCc1nc(N(C)C)sc1C=O 54967177 343332637 /nfs/dbraw/zinc/33/26/37/343332637.db2.gz OSFLVRZYPXKPFJ-UHFFFAOYSA-N 0 0 184.264 1.584 10 0 ADAERN CCc1ncc([C@H](C)O)c(C)n1 54963247 343332646 /nfs/dbraw/zinc/33/26/46/343332646.db2.gz UHAFEDUACKIYEB-ZETCQYMHSA-N 0 0 166.224 1.401 10 0 ADAERN CCc1ncc(C(C)=O)c(C)n1 54962399 343332667 /nfs/dbraw/zinc/33/26/67/343332667.db2.gz AHWQCKYATKJJQP-UHFFFAOYSA-N 0 0 164.208 1.550 10 0 ADAERN CCCc1ncc([C@H](C)O)c(C)n1 54963253 343332675 /nfs/dbraw/zinc/33/26/75/343332675.db2.gz LEWYHOBAAJWBMV-QMMMGPOBSA-N 0 0 180.251 1.791 10 0 ADAERN CCc1ncc([C@@H](C)O)c(C)n1 54963246 343332686 /nfs/dbraw/zinc/33/26/86/343332686.db2.gz UHAFEDUACKIYEB-SSDOTTSWSA-N 0 0 166.224 1.401 10 0 ADAERN CCCc1ncc([C@@H](C)O)c(C)n1 54963252 343332735 /nfs/dbraw/zinc/33/27/35/343332735.db2.gz LEWYHOBAAJWBMV-MRVPVSSYSA-N 0 0 180.251 1.791 10 0 ADAERN CCCc1ncc(C(C)=O)c(C)n1 54962451 343332740 /nfs/dbraw/zinc/33/27/40/343332740.db2.gz DWNDNJGHPSXMRC-UHFFFAOYSA-N 0 0 178.235 1.940 10 0 ADAERN Cc1ccc(N)c([C@@H](C)O)c1 59651134 343346549 /nfs/dbraw/zinc/34/65/49/343346549.db2.gz VMEQXRIRKLPMSK-SSDOTTSWSA-N 0 0 151.209 1.631 10 0 ADAERN CCc1nnc(-c2csc(N)n2)[nH]1 55189589 343334495 /nfs/dbraw/zinc/33/44/95/343334495.db2.gz RFNHFVWTMBSWGD-UHFFFAOYSA-N 0 0 195.251 1.073 10 0 ADAERN COC[C@](C)(O)c1cc(C)ccc1F 55193299 343334498 /nfs/dbraw/zinc/33/44/98/343334498.db2.gz SIUIIQOTUIYZHY-NSHDSACASA-N 0 0 198.237 1.988 10 0 ADAERN COC[C@@](C)(O)c1cc(C)ccc1F 55193296 343334502 /nfs/dbraw/zinc/33/45/02/343334502.db2.gz SIUIIQOTUIYZHY-LLVKDONJSA-N 0 0 198.237 1.988 10 0 ADAERN COC[C@](C)(O)c1cc(F)ccc1C 55193276 343334503 /nfs/dbraw/zinc/33/45/03/343334503.db2.gz MXZHEHBLAXSWGM-NSHDSACASA-N 0 0 198.237 1.988 10 0 ADAERN Cc1nc(N)sc1-c1ncno1 55176501 343334515 /nfs/dbraw/zinc/33/45/15/343334515.db2.gz GFWUFMYYJMBEHF-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN CC[C@H](C)NC(=O)c1csc(N)n1 55176927 343334519 /nfs/dbraw/zinc/33/45/19/343334519.db2.gz VDTLAMQFWIXKJU-YFKPBYRVSA-N 0 0 199.279 1.254 10 0 ADAERN CC(C)N(C)C(=O)c1csc(N)n1 55177351 343334669 /nfs/dbraw/zinc/33/46/69/343334669.db2.gz LGIMJSZJXPDPIV-UHFFFAOYSA-N 0 0 199.279 1.206 10 0 ADAERN COC[C@H](O)c1cc(F)ccc1C 55203127 343334828 /nfs/dbraw/zinc/33/48/28/343334828.db2.gz WWTKEGDJFBUQGO-JTQLQIEISA-N 0 0 184.210 1.814 10 0 ADAERN COC[C@@H](O)c1cc(F)ccc1C 55203123 343334834 /nfs/dbraw/zinc/33/48/34/343334834.db2.gz WWTKEGDJFBUQGO-SNVBAGLBSA-N 0 0 184.210 1.814 10 0 ADAERN COC[C@H](O)c1ccc(F)c(C)c1 55203139 343334837 /nfs/dbraw/zinc/33/48/37/343334837.db2.gz LZTYKXJRMCEXLO-JTQLQIEISA-N 0 0 184.210 1.814 10 0 ADAERN COC[C@@H](O)c1ccc(F)c(C)c1 55203136 343334844 /nfs/dbraw/zinc/33/48/44/343334844.db2.gz LZTYKXJRMCEXLO-SNVBAGLBSA-N 0 0 184.210 1.814 10 0 ADAERN COC[C@@H](O)c1cc(F)cc(F)c1 55203114 343334849 /nfs/dbraw/zinc/33/48/49/343334849.db2.gz YJBFEWITUVCJOG-SECBINFHSA-N 0 0 188.173 1.645 10 0 ADAERN COC[C@H](O)c1ccc(F)cc1C 55203134 343334924 /nfs/dbraw/zinc/33/49/24/343334924.db2.gz GYCQKHVVZHXUPD-JTQLQIEISA-N 0 0 184.210 1.814 10 0 ADAERN COC[C@H](O)c1ccc(F)cc1F 55238675 343335133 /nfs/dbraw/zinc/33/51/33/343335133.db2.gz ZLFRZRVYLVWROM-VIFPVBQESA-N 0 0 188.173 1.645 10 0 ADAERN CCC(=O)Cc1nc(C)cs1 55266652 343335149 /nfs/dbraw/zinc/33/51/49/343335149.db2.gz OFOBFPTXCGZHKF-UHFFFAOYSA-N 0 0 169.249 1.973 10 0 ADAERN Cc1csc(Cc2noc(N)n2)n1 55269895 343335196 /nfs/dbraw/zinc/33/51/96/343335196.db2.gz SDPLNJKZSSNQDQ-UHFFFAOYSA-N 0 0 196.235 1.008 10 0 ADAERN COC[C@@H](O)c1ccc(F)cc1F 55238678 343335290 /nfs/dbraw/zinc/33/52/90/343335290.db2.gz ZLFRZRVYLVWROM-SECBINFHSA-N 0 0 188.173 1.645 10 0 ADAERN COC[C@H](O)c1cc(F)ccc1F 55242992 343335300 /nfs/dbraw/zinc/33/53/00/343335300.db2.gz JELXHTDNJYJREB-VIFPVBQESA-N 0 0 188.173 1.645 10 0 ADAERN COC[C@@H](O)c1cc(F)ccc1F 55242995 343335325 /nfs/dbraw/zinc/33/53/25/343335325.db2.gz JELXHTDNJYJREB-SECBINFHSA-N 0 0 188.173 1.645 10 0 ADAERN CCC(=O)Cc1csc(C)n1 55273758 343335352 /nfs/dbraw/zinc/33/53/52/343335352.db2.gz FYHZHYLIUUZBTL-UHFFFAOYSA-N 0 0 169.249 1.973 10 0 ADAERN O[C@H](C1=CCCCC1)[C@H]1COCCO1 55303632 343335589 /nfs/dbraw/zinc/33/55/89/343335589.db2.gz PFXSADKHKUGSCC-GHMZBOCLSA-N 0 0 198.262 1.263 10 0 ADAERN Cc1ccc(-c2n[nH]c(C)n2)c(C)n1 55330997 343335596 /nfs/dbraw/zinc/33/55/96/343335596.db2.gz XORCCPXVLTYXBJ-UHFFFAOYSA-N 0 0 188.234 1.792 10 0 ADAERN O[C@@H](C1=CCCCC1)[C@H]1COCCO1 55303631 343335620 /nfs/dbraw/zinc/33/56/20/343335620.db2.gz PFXSADKHKUGSCC-MNOVXSKESA-N 0 0 198.262 1.263 10 0 ADAERN COC(=N)Cc1csc(C)n1 55296377 343335626 /nfs/dbraw/zinc/33/56/26/343335626.db2.gz XUYVVYSDBVZRIK-UHFFFAOYSA-N 0 0 170.237 1.618 10 0 ADAERN Cc1nc(Cc2noc(N)n2)cs1 55296769 343335690 /nfs/dbraw/zinc/33/56/90/343335690.db2.gz KVPBUILSWJNSOV-UHFFFAOYSA-N 0 0 196.235 1.008 10 0 ADAERN CC[C@H](C)c1noc(CN)n1 57340934 343336605 /nfs/dbraw/zinc/33/66/05/343336605.db2.gz LQGXXPKWFKUPHI-YFKPBYRVSA-N 0 0 155.201 1.042 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)C[C@@H](CO)O2 57348773 343336938 /nfs/dbraw/zinc/33/69/38/343336938.db2.gz JUDVLFKJQCTXIM-WCBMZHEXSA-N 0 0 194.230 1.172 10 0 ADAERN CC(C)C(=O)Cc1nccn1C 57380535 343337235 /nfs/dbraw/zinc/33/72/35/343337235.db2.gz OPDLYJREQBFOAI-UHFFFAOYSA-N 0 0 166.224 1.188 10 0 ADAERN Cc1[nH]c(=NN)sc1-c1ccco1 57489679 343337691 /nfs/dbraw/zinc/33/76/91/343337691.db2.gz WOGGQEBPTUFKNH-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1ccc(CC(C)(CO)CO)cc1 57489412 343337774 /nfs/dbraw/zinc/33/77/74/343337774.db2.gz KXNZOBKXBYREMD-UHFFFAOYSA-N 0 0 194.274 1.528 10 0 ADAERN Cc1ccccc1CC(C)(CO)CO 57489406 343337790 /nfs/dbraw/zinc/33/77/90/343337790.db2.gz RPJLZPUQWFMJDB-UHFFFAOYSA-N 0 0 194.274 1.528 10 0 ADAERN Cc1ccc([C@H]([NH3+])[C@@H](C)C(=O)[O-])cc1 57937351 343338021 /nfs/dbraw/zinc/33/80/21/343338021.db2.gz WSPHPDPIOQGWAI-PSASIEDQSA-N 0 0 193.246 1.716 10 0 ADAERN C[C@@]([NH3+])(CC(=O)[O-])c1ccccc1 57936144 343338113 /nfs/dbraw/zinc/33/81/13/343338113.db2.gz JUBVPJBQVAGHHH-SNVBAGLBSA-N 0 0 179.219 1.335 10 0 ADAERN Cc1cccc([C@@H]([NH3+])[C@H](C)C(=O)[O-])c1 57937340 343338124 /nfs/dbraw/zinc/33/81/24/343338124.db2.gz XTLKBNKSPYROKM-WPRPVWTQSA-N 0 0 193.246 1.716 10 0 ADAERN Cc1cccc([C@@H]([NH3+])[C@@H](C)C(=O)[O-])c1 57937334 343338176 /nfs/dbraw/zinc/33/81/76/343338176.db2.gz XTLKBNKSPYROKM-SCZZXKLOSA-N 0 0 193.246 1.716 10 0 ADAERN Cc1cccc([C@H]([NH3+])[C@H](C)C(=O)[O-])c1 57937338 343338230 /nfs/dbraw/zinc/33/82/30/343338230.db2.gz XTLKBNKSPYROKM-WCBMZHEXSA-N 0 0 193.246 1.716 10 0 ADAERN FCCNc1ccccn1 60234258 343352138 /nfs/dbraw/zinc/35/21/38/343352138.db2.gz SIAJWOYHNIZLNQ-UHFFFAOYSA-N 0 0 140.161 1.463 10 0 ADAERN CC[C@@]1(C)NC(C)(C)COC1=O 58425251 343339581 /nfs/dbraw/zinc/33/95/81/343339581.db2.gz KGKBDJTUKBJFEU-SECBINFHSA-N 0 0 171.240 1.080 10 0 ADAERN Cc1cccc2c1C[C@@H](C)NC2=O 58518729 343339875 /nfs/dbraw/zinc/33/98/75/343339875.db2.gz FRAYCUIIEDODCY-MRVPVSSYSA-N 0 0 175.231 1.669 10 0 ADAERN Cc1ccc2c(c1)C(=O)N[C@H](C)C2 58518723 343339878 /nfs/dbraw/zinc/33/98/78/343339878.db2.gz ADMOTDXSFGUSKK-MRVPVSSYSA-N 0 0 175.231 1.669 10 0 ADAERN CC(C)Cc1ncc(C=O)o1 58517634 343339884 /nfs/dbraw/zinc/33/98/84/343339884.db2.gz UPJHALIHEOTPAC-UHFFFAOYSA-N 0 0 153.181 1.686 10 0 ADAERN Cc1ccc2c(c1)C(=O)N[C@@H](C)C2 58518725 343339895 /nfs/dbraw/zinc/33/98/95/343339895.db2.gz ADMOTDXSFGUSKK-QMMMGPOBSA-N 0 0 175.231 1.669 10 0 ADAERN CC(C)Cc1nnc(CN)s1 58518471 343340082 /nfs/dbraw/zinc/34/00/82/343340082.db2.gz BXOUGJIJVUQVDL-UHFFFAOYSA-N 0 0 171.269 1.195 10 0 ADAERN Cc1cccc2c1C[C@H](C)NC2=O 58518727 343340095 /nfs/dbraw/zinc/34/00/95/343340095.db2.gz FRAYCUIIEDODCY-QMMMGPOBSA-N 0 0 175.231 1.669 10 0 ADAERN CC(C)c1ncc(C=O)o1 58517507 343340180 /nfs/dbraw/zinc/34/01/80/343340180.db2.gz RUEGEMFTZYGXHX-UHFFFAOYSA-N 0 0 139.154 1.611 10 0 ADAERN CCc1ccc([C@@H]2CNC(=O)C2)cc1 58520910 343340225 /nfs/dbraw/zinc/34/02/25/343340225.db2.gz ZQMLMBXGRKPPBJ-NSHDSACASA-N 0 0 189.258 1.853 10 0 ADAERN Cc1cc(C)c(CCNN)c(C)c1 58519218 343340341 /nfs/dbraw/zinc/34/03/41/343340341.db2.gz MVVHDQLCIDISKW-UHFFFAOYSA-N 0 0 178.279 1.618 10 0 ADAERN C[C@H]1Cc2cc(N)ccc2NC1=O 58518938 343340395 /nfs/dbraw/zinc/34/03/95/343340395.db2.gz CJSTYDXHHITHAM-LURJTMIESA-N 0 0 176.219 1.400 10 0 ADAERN CCc1ccc2c(c1)C(=O)N[C@H](C)C2 58520869 343340455 /nfs/dbraw/zinc/34/04/55/343340455.db2.gz ZZUDIRJFQOVMPV-MRVPVSSYSA-N 0 0 189.258 1.923 10 0 ADAERN CCc1ccc2c(c1)C(=O)N[C@@H](C)C2 58520872 343340512 /nfs/dbraw/zinc/34/05/12/343340512.db2.gz ZZUDIRJFQOVMPV-QMMMGPOBSA-N 0 0 189.258 1.923 10 0 ADAERN C[C@H]1Cc2c(F)cccc2C(=O)N1 58519258 343340523 /nfs/dbraw/zinc/34/05/23/343340523.db2.gz CWPKIKHELPKFJS-LURJTMIESA-N 0 0 179.194 1.500 10 0 ADAERN CCCCOc1ccnc(NC)n1 58825477 343341405 /nfs/dbraw/zinc/34/14/05/343341405.db2.gz OSLJKYRFTXGSQO-UHFFFAOYSA-N 0 0 181.239 1.697 10 0 ADAERN CC(C)Nc1nc(C(C)C)cc(=O)[nH]1 58824117 343341456 /nfs/dbraw/zinc/34/14/56/343341456.db2.gz BLMXINAWAOPSGJ-UHFFFAOYSA-N 0 0 195.266 1.714 10 0 ADAERN OCCCNc1cccc(O)c1 58854194 343341535 /nfs/dbraw/zinc/34/15/35/343341535.db2.gz APSKHWUYUMHNFK-UHFFFAOYSA-N 0 0 167.208 1.187 10 0 ADAERN CC(C)Oc1ccnc(NC2CC2)n1 58825537 343341544 /nfs/dbraw/zinc/34/15/44/343341544.db2.gz GIBXLSYIKOGCKF-UHFFFAOYSA-N 0 0 193.250 1.838 10 0 ADAERN Cc1cccc2c1OC[C@@H](O)C2 59031117 343341720 /nfs/dbraw/zinc/34/17/20/343341720.db2.gz BLBYSXBDUZEYCW-VIFPVBQESA-N 0 0 164.204 1.291 10 0 ADAERN O=C1CSC(Cl)=N1 59047550 343341734 /nfs/dbraw/zinc/34/17/34/343341734.db2.gz KXLCSUVYWADQKY-UHFFFAOYSA-N 0 0 135.575 1.502 10 0 ADAERN CC[C@@H](C(C)=O)C(=O)OC(C)C 59044251 343341753 /nfs/dbraw/zinc/34/17/53/343341753.db2.gz LLDDILHGZUIXFS-QMMMGPOBSA-N 0 0 172.224 1.553 10 0 ADAERN CO[C@H]1CCCC[C@@H]1C(C)=O 59024400 343341778 /nfs/dbraw/zinc/34/17/78/343341778.db2.gz CMHGDJHYQLIQLY-BDAKNGLRSA-N 0 0 156.225 1.781 10 0 ADAERN CC(=O)CNc1nccnc1Cl 59059063 343341789 /nfs/dbraw/zinc/34/17/89/343341789.db2.gz MPXHDJBYJOJPEO-UHFFFAOYSA-N 0 0 185.614 1.131 10 0 ADAERN CC(=O)N(C)c1cccc(O)c1 59047812 343341831 /nfs/dbraw/zinc/34/18/31/343341831.db2.gz XGZGQQDTACZODX-UHFFFAOYSA-N 0 0 165.192 1.375 10 0 ADAERN CO[C@@H]1CCCC[C@@H]1C(C)=O 59024404 343341855 /nfs/dbraw/zinc/34/18/55/343341855.db2.gz CMHGDJHYQLIQLY-RKDXNWHRSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1cccc2c1OC[C@H](O)C2 59031114 343341898 /nfs/dbraw/zinc/34/18/98/343341898.db2.gz BLBYSXBDUZEYCW-SECBINFHSA-N 0 0 164.204 1.291 10 0 ADAERN CO[C@@H]1CCCC[C@H]1C(C)=O 59024401 343341907 /nfs/dbraw/zinc/34/19/07/343341907.db2.gz CMHGDJHYQLIQLY-DTWKUNHWSA-N 0 0 156.225 1.781 10 0 ADAERN CO[C@H]1CCCC[C@H]1C(C)=O 59024396 343341913 /nfs/dbraw/zinc/34/19/13/343341913.db2.gz CMHGDJHYQLIQLY-IUCAKERBSA-N 0 0 156.225 1.781 10 0 ADAERN CNc1c(C)cccc1O 59050172 343341930 /nfs/dbraw/zinc/34/19/30/343341930.db2.gz ZNBVVUZFBDUKOV-UHFFFAOYSA-N 0 0 137.182 1.742 10 0 in-vitro ADAERN Cc1ccc(-c2cnc[nH]c2=O)cc1 59071145 343341958 /nfs/dbraw/zinc/34/19/58/343341958.db2.gz SEIHGWIQBIUBGU-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CC[C@H](C(C)=O)C(=O)OC(C)C 59044255 343341962 /nfs/dbraw/zinc/34/19/62/343341962.db2.gz LLDDILHGZUIXFS-MRVPVSSYSA-N 0 0 172.224 1.553 10 0 ADAERN CCc1ncnc(SC)c1F 59047238 343341966 /nfs/dbraw/zinc/34/19/66/343341966.db2.gz IXKXQZVEVYSFOC-UHFFFAOYSA-N 0 0 172.228 1.900 10 0 ADAERN Cc1ccc(O)c(C=O)c1C 59049291 343341975 /nfs/dbraw/zinc/34/19/75/343341975.db2.gz QOPODVCTNOEUPT-UHFFFAOYSA-N 0 0 150.177 1.822 10 0 ADAERN CC[C@H](C)c1nc(C=O)c[nH]1 59071809 343341982 /nfs/dbraw/zinc/34/19/82/343341982.db2.gz PLWHDAMMBAERFI-LURJTMIESA-N 0 0 152.197 1.736 10 0 ADAERN C[C@@H](NC(N)=O)C(C)(C)C 59102585 343342068 /nfs/dbraw/zinc/34/20/68/343342068.db2.gz CANRFNSRGCDLCS-RXMQYKEDSA-N 0 0 144.218 1.089 10 0 ADAERN CC(=O)C[C@H]1CCC[C@H]1O 59106411 343342082 /nfs/dbraw/zinc/34/20/82/343342082.db2.gz LIGMLSZSITZQQY-HTQZYQBOSA-N 0 0 142.198 1.127 10 0 ADAERN CCC[C@@H]1CC(=O)CO1 59106741 343342089 /nfs/dbraw/zinc/34/20/89/343342089.db2.gz RSIDUYVOSCDRLC-SSDOTTSWSA-N 0 0 128.171 1.145 10 0 ADAERN CCc1ccc(O)cc1OC 60249561 343352629 /nfs/dbraw/zinc/35/26/29/343352629.db2.gz RFFGTTQECNEGAX-UHFFFAOYSA-N 0 0 152.193 1.963 10 0 ADAERN CC[C@H]1CC[C@@H](C(=O)OC)C1 60272950 343352704 /nfs/dbraw/zinc/35/27/04/343352704.db2.gz OPPQXFJWBOHJKL-JGVFFNPUSA-N 0 0 156.225 1.986 10 0 ADAERN CC(=O)c1nc(C(C)(C)C)no1 59134924 343342170 /nfs/dbraw/zinc/34/21/70/343342170.db2.gz VZZQEAUFPGPOFX-UHFFFAOYSA-N 0 0 168.196 1.570 10 0 ADAERN Cc1ccc2c(c1)nc([C@@H](C)O)n2C 59112402 343342185 /nfs/dbraw/zinc/34/21/85/343342185.db2.gz ZLALZBLHRALKFE-MRVPVSSYSA-N 0 0 190.246 1.935 10 0 ADAERN Nc1ccc(OCC2CC2)cc1N 59143592 343342197 /nfs/dbraw/zinc/34/21/97/343342197.db2.gz GARDGPUQQZDQEC-UHFFFAOYSA-N 0 0 178.235 1.640 10 0 ADAERN Nc1cc(F)c(OC(F)F)cc1N 59137473 343342200 /nfs/dbraw/zinc/34/22/00/343342200.db2.gz ZYMILFDFRXVXKN-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN Cc1ccc2c(c1)nc([C@H](C)O)n2C 59112405 343342246 /nfs/dbraw/zinc/34/22/46/343342246.db2.gz ZLALZBLHRALKFE-QMMMGPOBSA-N 0 0 190.246 1.935 10 0 ADAERN CC(=O)C[C@H]1CCC[C@@H]1O 59106409 343342270 /nfs/dbraw/zinc/34/22/70/343342270.db2.gz LIGMLSZSITZQQY-SFYZADRCSA-N 0 0 142.198 1.127 10 0 ADAERN CCc1n[nH]c2cccc(O)c12 59129077 343342284 /nfs/dbraw/zinc/34/22/84/343342284.db2.gz BNEMMPKNPPBTLV-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN C[C@H](NC(N)=O)C(C)(C)C 59102583 343342301 /nfs/dbraw/zinc/34/23/01/343342301.db2.gz CANRFNSRGCDLCS-YFKPBYRVSA-N 0 0 144.218 1.089 10 0 ADAERN CC(=O)C[C@@H]1CCC[C@@H]1O 59106408 343342329 /nfs/dbraw/zinc/34/23/29/343342329.db2.gz LIGMLSZSITZQQY-YUMQZZPRSA-N 0 0 142.198 1.127 10 0 ADAERN C=Cc1cc(C)nc(N)n1 59161372 343342406 /nfs/dbraw/zinc/34/24/06/343342406.db2.gz DYGUKBHQMPRIDO-UHFFFAOYSA-N 0 0 135.170 1.010 10 0 ADAERN O=Cc1ccc(-n2ccnc2)cn1 59164861 343342459 /nfs/dbraw/zinc/34/24/59/343342459.db2.gz CHYBLXFTAUHBHZ-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN CC1(C)CC=CC[C@@H]1O 59201216 343342876 /nfs/dbraw/zinc/34/28/76/343342876.db2.gz CDCOKTHMKZHPSY-ZETCQYMHSA-N 0 0 126.199 1.724 10 0 ADAERN COCOc1cc(C)c(C=O)c(O)c1 59203956 343342901 /nfs/dbraw/zinc/34/29/01/343342901.db2.gz GFPFKQAZEKHPKV-UHFFFAOYSA-N 0 0 196.202 1.496 10 0 ADAERN Cc1ccc(CCNC=O)cc1 59215142 343342904 /nfs/dbraw/zinc/34/29/04/343342904.db2.gz LJGHGUUKZJRPEJ-UHFFFAOYSA-N 0 0 163.220 1.284 10 0 ADAERN C1CCCC2(CC1)NN2 59206983 343343140 /nfs/dbraw/zinc/34/31/40/343343140.db2.gz BZOKJLIRULCMFE-UHFFFAOYSA-N 0 0 126.203 1.145 10 0 ADAERN C[C@H](O)C[C@@H]1CCCCC1=O 59200397 343343143 /nfs/dbraw/zinc/34/31/43/343343143.db2.gz VMWTXOSUKXSJAW-YUMQZZPRSA-N 0 0 156.225 1.517 10 0 ADAERN CCOCCC(=O)N1CCC(C)CC1 59245084 343343272 /nfs/dbraw/zinc/34/32/72/343343272.db2.gz GHHXIYYKDMDMIS-UHFFFAOYSA-N 0 0 199.294 1.672 10 0 ADAERN CCOCCC(=O)N[C@H](C)CC 59245098 343343307 /nfs/dbraw/zinc/34/33/07/343343307.db2.gz GXQGSEULEAVUSG-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CCOCCC(=O)N[C@@H](C)CC 59245099 343343332 /nfs/dbraw/zinc/34/33/32/343343332.db2.gz GXQGSEULEAVUSG-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN C[C@H]1CCCOC(=O)O1 59230777 343343339 /nfs/dbraw/zinc/34/33/39/343343339.db2.gz JKNNDGRRIOGKKO-YFKPBYRVSA-N 0 0 130.143 1.322 10 0 ADAERN CC(C)[C@H](NO)C(=O)OC(C)(C)C 59241877 343343363 /nfs/dbraw/zinc/34/33/63/343343363.db2.gz CEQHKWIXLZAWDX-ZETCQYMHSA-N 0 0 189.255 1.332 10 0 ADAERN CCc1cc(N)cc(O)c1C 59235177 343343398 /nfs/dbraw/zinc/34/33/98/343343398.db2.gz PZQABVRTAZAOCU-UHFFFAOYSA-N 0 0 151.209 1.845 10 0 ADAERN CN(C)C(=O)NC(C)(C)C 59244793 343343418 /nfs/dbraw/zinc/34/34/18/343343418.db2.gz QTQNNPUOOYLCIW-UHFFFAOYSA-N 0 0 144.218 1.056 10 0 ADAERN C[C@@H]1CCCOC(=O)O1 59230773 343343433 /nfs/dbraw/zinc/34/34/33/343343433.db2.gz JKNNDGRRIOGKKO-RXMQYKEDSA-N 0 0 130.143 1.322 10 0 ADAERN CN(C)n1c(=S)[nH]c2ccccc21 59291571 343343654 /nfs/dbraw/zinc/34/36/54/343343654.db2.gz DCNOXPPRWRJZST-UHFFFAOYSA-N 0 0 193.275 1.896 10 0 ADAERN CCN(CC)C(=O)NC(C)(C)C 59290852 343343711 /nfs/dbraw/zinc/34/37/11/343343711.db2.gz LLNOHSNEWPCREX-UHFFFAOYSA-N 0 0 172.272 1.836 10 0 ADAERN Nc1nc(Cl)cc(OC(F)F)n1 59295077 343343754 /nfs/dbraw/zinc/34/37/54/343343754.db2.gz HTSKOSDDIABZGR-UHFFFAOYSA-N 0 0 195.556 1.314 10 0 ADAERN NNc1ccc(Cl)s1 59299341 343343802 /nfs/dbraw/zinc/34/38/02/343343802.db2.gz VVRZVCONPALVMT-UHFFFAOYSA-N 0 0 148.618 1.687 10 0 ADAERN CCCN1C(=O)Cc2cc(O)ccc21 59288319 343343803 /nfs/dbraw/zinc/34/38/03/343343803.db2.gz WYSOSHSFSPALSB-UHFFFAOYSA-N 0 0 191.230 1.691 10 0 ADAERN CC(=O)CC(=O)OC1CCC1 59306030 343343809 /nfs/dbraw/zinc/34/38/09/343343809.db2.gz GCPXGAQMXOZLKH-UHFFFAOYSA-N 0 0 156.181 1.061 10 0 ADAERN CCC(C)(CC)NN 59345266 343344035 /nfs/dbraw/zinc/34/40/35/343344035.db2.gz VLNYBZHWMVSIFB-UHFFFAOYSA-N 0 0 116.208 1.028 10 0 ADAERN O=Cc1cccc(C=O)c1[N+](=O)[O-] 59330270 343344074 /nfs/dbraw/zinc/34/40/74/343344074.db2.gz IZVUHNYUUGSLRK-UHFFFAOYSA-N 0 0 179.131 1.220 10 0 ADAERN CCc1cnc(C)cc1C=O 59355839 343344103 /nfs/dbraw/zinc/34/41/03/343344103.db2.gz IUJLKTRYWYNFBP-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN C/C(=C\[C@H]1CCCC[NH2+]1)C(=O)[O-] 59339970 343344145 /nfs/dbraw/zinc/34/41/45/343344145.db2.gz GYJOIANPPCBWJC-HYDMIIDASA-N 0 0 169.224 1.159 10 0 ADAERN CC[C@@H](O)C1CCC(OC)CC1 59381193 343344305 /nfs/dbraw/zinc/34/43/05/343344305.db2.gz VCDDWVODARZQQX-UDNWOFFPSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](O)C1CCC(OC)CC1 59381192 343344504 /nfs/dbraw/zinc/34/45/04/343344504.db2.gz VCDDWVODARZQQX-RTBKNWGFSA-N 0 0 172.268 1.963 10 0 ADAERN NC(=O)c1cc2cc(O)ccc2o1 59390598 343344506 /nfs/dbraw/zinc/34/45/06/343344506.db2.gz ALOGVBZBLZYFFX-UHFFFAOYSA-N 0 0 177.159 1.237 10 0 ADAERN CCC(F)(F)F 59436694 343344586 /nfs/dbraw/zinc/34/45/86/343344586.db2.gz HAWOVPYFKHPIAZ-UHFFFAOYSA-N 0 0 97.059 1.773 10 0 ADAERN CC(C)Oc1ccc2c(c1)CC(=O)N2 59440948 343344608 /nfs/dbraw/zinc/34/46/08/343344608.db2.gz HRINDOHVNYBEQJ-UHFFFAOYSA-N 0 0 191.230 1.968 10 0 ADAERN Cc1cc(-c2ccccc2)n[n+]([O-])c1 59439852 343344610 /nfs/dbraw/zinc/34/46/10/343344610.db2.gz UGFLYPDXTHGASY-UHFFFAOYSA-N 0 0 186.214 1.690 10 0 ADAERN CC(C)Oc1ncnc(Cl)n1 59430975 343344652 /nfs/dbraw/zinc/34/46/52/343344652.db2.gz OMGBMVLKXPVLIN-UHFFFAOYSA-N 0 0 173.603 1.312 10 0 ADAERN Cc1cc2c(O)cccc2oc1=O 59445666 343344733 /nfs/dbraw/zinc/34/47/33/343344733.db2.gz ZJHYOHJMCSQXCT-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN Cc1nnc(-c2ccccc2O)o1 59443283 343344754 /nfs/dbraw/zinc/34/47/54/343344754.db2.gz GPRGHUPGKFOBKU-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN CC=C(C)C 59436525 343344822 /nfs/dbraw/zinc/34/48/22/343344822.db2.gz YIKSGTZUZLNUTJ-UHFFFAOYSA-N 0 0 69.127 1.787 10 0 ADAERN CN(C)c1ccc(C=O)cc1C=O 59495812 343345002 /nfs/dbraw/zinc/34/50/02/343345002.db2.gz JSNWDPCCEFNMRZ-UHFFFAOYSA-N 0 0 177.203 1.378 10 0 ADAERN O=CC(=O)CCCc1ccccc1 59481879 343344958 /nfs/dbraw/zinc/34/49/58/343344958.db2.gz JYXVDJSLCSZFEX-UHFFFAOYSA-N 0 0 176.215 1.777 10 0 ADAERN CC(C)C 59447690 343345032 /nfs/dbraw/zinc/34/50/32/343345032.db2.gz RFONJRMUUALMBA-UHFFFAOYSA-N 0 0 57.116 1.476 10 0 in-vitro ADAERN CCC(CC)N1CCNC1=O 59451652 343345055 /nfs/dbraw/zinc/34/50/55/343345055.db2.gz YLENLAQNPNJMBB-UHFFFAOYSA-N 0 0 156.229 1.200 10 0 ADAERN COC[C@H](C)C[C@@H](C)O 59495658 343345074 /nfs/dbraw/zinc/34/50/74/343345074.db2.gz KJGRQFRVQKIODS-RNFRBKRXSA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@@H](C)C[C@H](C)O 59495659 343345091 /nfs/dbraw/zinc/34/50/91/343345091.db2.gz KJGRQFRVQKIODS-BQBZGAKWSA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@H](C)C[C@H](C)O 59495660 343345098 /nfs/dbraw/zinc/34/50/98/343345098.db2.gz KJGRQFRVQKIODS-RQJHMYQMSA-N 0 0 132.203 1.040 10 0 ADAERN CCC[C@H](CC)NO 59479844 343345100 /nfs/dbraw/zinc/34/51/00/343345100.db2.gz NWICVCMFTBINCD-LURJTMIESA-N 0 0 117.192 1.544 10 0 ADAERN CCCC(=O)OC(C)(C)C 59448193 343345110 /nfs/dbraw/zinc/34/51/10/343345110.db2.gz RBALKMQFSPNKPY-UHFFFAOYSA-N 0 0 143.206 1.942 10 0 ADAERN Cc1cc(NCC[C@H](C)O)ccc1N 59538871 343345340 /nfs/dbraw/zinc/34/53/40/343345340.db2.gz NBQDRHNGFJGIEH-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN NNc1cccc2c1OCCC2 59512525 343345371 /nfs/dbraw/zinc/34/53/71/343345371.db2.gz PQNZINAUKJSLBB-UHFFFAOYSA-N 0 0 164.208 1.297 10 0 ADAERN COc1ccc(COC(N)=O)cc1 59522321 343345400 /nfs/dbraw/zinc/34/54/00/343345400.db2.gz SDEOSHAQCMPJIJ-UHFFFAOYSA-N 0 0 181.191 1.291 10 0 ADAERN OC/C=C/[C@H](O)Cc1ccccc1 59510737 343345409 /nfs/dbraw/zinc/34/54/09/343345409.db2.gz LDQBAAHUIOYSHA-ZPMKCOPCSA-N 0 0 178.231 1.139 10 0 ADAERN CCC(=O)CC1CC1 59566040 343345739 /nfs/dbraw/zinc/34/57/39/343345739.db2.gz CWBXRPMPOBUVMH-UHFFFAOYSA-N 0 0 112.172 1.766 10 0 ADAERN OC/C=C/[C@@H](O)Cc1ccccc1 59510736 343345459 /nfs/dbraw/zinc/34/54/59/343345459.db2.gz LDQBAAHUIOYSHA-TZOMUSMUSA-N 0 0 178.231 1.139 10 0 ADAERN Cc1cc(NCC[C@@H](C)O)ccc1N 59538869 343345461 /nfs/dbraw/zinc/34/54/61/343345461.db2.gz NBQDRHNGFJGIEH-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN Nc1ncccc1Cc1ccco1 59520697 343345525 /nfs/dbraw/zinc/34/55/25/343345525.db2.gz SNQNGKPFSDSYNN-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Cc1cc(C)c(N)c(O)c1C 59572177 343345740 /nfs/dbraw/zinc/34/57/40/343345740.db2.gz XVEBSDRFDKADEQ-UHFFFAOYSA-N 0 0 151.209 1.900 10 0 ADAERN CC(=O)OCc1cc(C)ncc1C=O 59544873 343345741 /nfs/dbraw/zinc/34/57/41/343345741.db2.gz HJOGSGKZJWRNJM-UHFFFAOYSA-N 0 0 193.202 1.266 10 0 ADAERN CNC(=O)c1cncc2ccccc12 59556663 343345731 /nfs/dbraw/zinc/34/57/31/343345731.db2.gz CREUPPLITGXVGB-UHFFFAOYSA-N 0 0 186.214 1.594 10 0 ADAERN Nc1ccc(C2=NCCS2)cc1 59551800 343345732 /nfs/dbraw/zinc/34/57/32/343345732.db2.gz FEAAKKFTSCOBQF-UHFFFAOYSA-N 0 0 178.260 1.762 10 0 ADAERN C=Cc1cnc(C)c(O)c1C(C)=O 59544929 343345813 /nfs/dbraw/zinc/34/58/13/343345813.db2.gz PZXKFCVBOUTNNM-UHFFFAOYSA-N 0 0 177.203 1.941 10 0 ADAERN O=C1CCNc2c(F)cccc2N1 59569360 343345879 /nfs/dbraw/zinc/34/58/79/343345879.db2.gz QMZUZHVLOIJTCQ-UHFFFAOYSA-N 0 0 180.182 1.580 10 0 ADAERN COC(=O)Cc1ccc2cc[nH]c2c1 59607005 343346021 /nfs/dbraw/zinc/34/60/21/343346021.db2.gz SCXOEYSFXAYJEG-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN C=Cc1ccc(NN)cc1 59619632 343346089 /nfs/dbraw/zinc/34/60/89/343346089.db2.gz DLDLTEWJHHPCET-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN COC(=O)Cc1ccc2[nH]ccc2c1 59607007 343346103 /nfs/dbraw/zinc/34/61/03/343346103.db2.gz ZWPPJBSFGQAVEQ-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN Nc1cnc(C2CCCC2)[nH]c1=O 59621071 343346110 /nfs/dbraw/zinc/34/61/10/343346110.db2.gz GBLBJCYXRLNCPY-UHFFFAOYSA-N 0 0 179.223 1.010 10 0 ADAERN C/C(=C/[C@@H]1CCCC[NH2+]1)C(=O)[O-] 59576181 343346225 /nfs/dbraw/zinc/34/62/25/343346225.db2.gz GYJOIANPPCBWJC-UAPHAKCISA-N 0 0 169.224 1.159 10 0 ADAERN C[C@H](CO)ONc1ccccc1 59624481 343346469 /nfs/dbraw/zinc/34/64/69/343346469.db2.gz LFIGVWCABSLPQY-MRVPVSSYSA-N 0 0 167.208 1.411 10 0 ADAERN CO/C=C/C(=O)OCc1ccccc1 59627000 343346478 /nfs/dbraw/zinc/34/64/78/343346478.db2.gz GHGVCRYWPTYSOZ-BQYQJAHWSA-N 0 0 192.214 1.890 10 0 ADAERN C=CC(=O)NCc1ccc(O)cc1 59645705 343346493 /nfs/dbraw/zinc/34/64/93/343346493.db2.gz MZJSYJDISDDXOH-UHFFFAOYSA-N 0 0 177.203 1.194 10 0 ADAERN COC(=O)Cc1cccc(O)c1F 59648249 343346571 /nfs/dbraw/zinc/34/65/71/343346571.db2.gz IYRGJHIDBMPDJF-UHFFFAOYSA-N 0 0 184.166 1.247 10 0 ADAERN O=C1C(=O)N(CCF)c2ccccc21 59697832 343346731 /nfs/dbraw/zinc/34/67/31/343346731.db2.gz NNASXOAIOIJBIL-UHFFFAOYSA-N 0 0 193.177 1.185 10 0 ADAERN CSCCNc1nc(C)co1 59669329 343346738 /nfs/dbraw/zinc/34/67/38/343346738.db2.gz UMZOZFCSFDEEBC-UHFFFAOYSA-N 0 0 172.253 1.758 10 0 ADAERN COCOCc1ccccc1 59696939 343346756 /nfs/dbraw/zinc/34/67/56/343346756.db2.gz PVWXHEMUPZXLKS-UHFFFAOYSA-N 0 0 152.193 1.807 10 0 ADAERN CC1=C[C@@H](CO)CCC1 59672592 343346765 /nfs/dbraw/zinc/34/67/65/343346765.db2.gz AOFMOQFRVAWTSX-QMMMGPOBSA-N 0 0 126.199 1.725 10 0 ADAERN CC1=C[C@H](CO)CCC1 59672591 343346841 /nfs/dbraw/zinc/34/68/41/343346841.db2.gz AOFMOQFRVAWTSX-MRVPVSSYSA-N 0 0 126.199 1.725 10 0 ADAERN COCC(=O)Nc1ccc(C=O)cc1 59683570 343346865 /nfs/dbraw/zinc/34/68/65/343346865.db2.gz PZPYKIXOPOPDHD-UHFFFAOYSA-N 0 0 193.202 1.084 10 0 ADAERN CC[C@@H](C)C(=O)NN1CCCC1 59696517 343346874 /nfs/dbraw/zinc/34/68/74/343346874.db2.gz ACNLWLKSSODAMK-MRVPVSSYSA-N 0 0 170.256 1.160 10 0 ADAERN COC(=O)C1=CCC[C@@H](C(=O)OC)C1 59685882 343346883 /nfs/dbraw/zinc/34/68/83/343346883.db2.gz IFYDSYCNOOVPGV-MRVPVSSYSA-N 0 0 198.218 1.059 10 0 ADAERN O=C1CCNc2cc(O)ccc21 59698851 343346933 /nfs/dbraw/zinc/34/69/33/343346933.db2.gz BGWAIZNKGILPKU-UHFFFAOYSA-N 0 0 163.176 1.391 10 0 ADAERN Nc1ccc(N2CCCCC2=O)cn1 59684970 343346961 /nfs/dbraw/zinc/34/69/61/343346961.db2.gz ZOPXSJUCIFFYMP-UHFFFAOYSA-N 0 0 191.234 1.181 10 0 ADAERN COC(=O)C1=CCC[C@H](C(=O)OC)C1 59685885 343346965 /nfs/dbraw/zinc/34/69/65/343346965.db2.gz IFYDSYCNOOVPGV-QMMMGPOBSA-N 0 0 198.218 1.059 10 0 ADAERN CC[C@H](C)C(=O)NN1CCCC1 59696518 343346977 /nfs/dbraw/zinc/34/69/77/343346977.db2.gz ACNLWLKSSODAMK-QMMMGPOBSA-N 0 0 170.256 1.160 10 0 ADAERN O=CN[C@@H]1CCc2ccccc21 59699786 343347078 /nfs/dbraw/zinc/34/70/78/343347078.db2.gz DBGKPDNKZZGWOM-SNVBAGLBSA-N 0 0 161.204 1.420 10 0 ADAERN C[C@@H](O)CSCCc1ccncc1 59711815 343347101 /nfs/dbraw/zinc/34/71/01/343347101.db2.gz RHXVXTSUQAWFLU-SECBINFHSA-N 0 0 197.303 1.738 10 0 ADAERN CCNC(=O)c1csc(Cl)n1 59703763 343347172 /nfs/dbraw/zinc/34/71/72/343347172.db2.gz GNSYOTSEBAJCHO-UHFFFAOYSA-N 0 0 190.655 1.546 10 0 ADAERN C[C@H](O)CSCCc1ccncc1 59711812 343347179 /nfs/dbraw/zinc/34/71/79/343347179.db2.gz RHXVXTSUQAWFLU-VIFPVBQESA-N 0 0 197.303 1.738 10 0 ADAERN CCc1nccc(=S)[nH]1 59737037 343347458 /nfs/dbraw/zinc/34/74/58/343347458.db2.gz MADDTZIFQHQRGO-UHFFFAOYSA-N 0 0 140.211 1.702 10 0 ADAERN CC(C)(C)C(=O)c1csnn1 59740231 343347471 /nfs/dbraw/zinc/34/74/71/343347471.db2.gz DZXVGNWOMWKBQV-UHFFFAOYSA-N 0 0 170.237 1.767 10 0 ADAERN Cc1nc(N)c(C)s1 59750408 343347530 /nfs/dbraw/zinc/34/75/30/343347530.db2.gz GNIHTIIIGIYYSJ-UHFFFAOYSA-N 0 0 128.200 1.342 10 0 ADAERN CNc1ccns1 59750468 343347577 /nfs/dbraw/zinc/34/75/77/343347577.db2.gz KTHRTQCNWJRUDH-UHFFFAOYSA-N 0 0 114.173 1.185 10 0 ADAERN CNc1ccc(NC#N)cc1 59825582 343347886 /nfs/dbraw/zinc/34/78/86/343347886.db2.gz XHTHWZQMDVKWAW-UHFFFAOYSA-N 0 0 147.181 1.621 10 0 ADAERN C=C/C=C(/C)CCO 59840863 343347952 /nfs/dbraw/zinc/34/79/52/343347952.db2.gz JQLHPZVSICDDQT-DAXSKMNVSA-N 0 0 112.172 1.501 10 0 ADAERN N#Cc1cncc(N)c1C(F)(F)F 59841094 343347984 /nfs/dbraw/zinc/34/79/84/343347984.db2.gz PKSPZSBOJMQKCS-UHFFFAOYSA-N 0 0 187.124 1.554 10 0 ADAERN CC[C@]1(CO)CCC=CO1 59846046 343348121 /nfs/dbraw/zinc/34/81/21/343348121.db2.gz POBSPWRKWGLNTQ-MRVPVSSYSA-N 0 0 142.198 1.452 10 0 ADAERN C[C@H]1CCN(C#N)[C@@H](C)C1 59879876 343348127 /nfs/dbraw/zinc/34/81/27/343348127.db2.gz QRHDVQOUGKGKHD-YUMQZZPRSA-N 0 0 138.214 1.588 10 0 ADAERN Cc1c(C)c(N)c2n[nH]cc2c1N 59848665 343348255 /nfs/dbraw/zinc/34/82/55/343348255.db2.gz IIZSKDUUMYETOJ-UHFFFAOYSA-N 0 0 176.223 1.344 10 0 ADAERN C[C@H]1C[C@H](C)CCN1C#N 59879873 343348285 /nfs/dbraw/zinc/34/82/85/343348285.db2.gz QRHDVQOUGKGKHD-SFYZADRCSA-N 0 0 138.214 1.588 10 0 ADAERN CC[C@@]1(CO)CCC=CO1 59846047 343348292 /nfs/dbraw/zinc/34/82/92/343348292.db2.gz POBSPWRKWGLNTQ-QMMMGPOBSA-N 0 0 142.198 1.452 10 0 ADAERN C[C@H]1CCN(C#N)[C@H](C)C1 59879871 343348302 /nfs/dbraw/zinc/34/83/02/343348302.db2.gz QRHDVQOUGKGKHD-JGVFFNPUSA-N 0 0 138.214 1.588 10 0 ADAERN Cc1cccc2[nH]nc(N)c12 59953754 343349258 /nfs/dbraw/zinc/34/92/58/343349258.db2.gz KXPCCBPXQYNNRI-UHFFFAOYSA-N 0 0 147.181 1.454 10 0 ADAERN NNCCC1CCCCCC1 60020458 343349595 /nfs/dbraw/zinc/34/95/95/343349595.db2.gz SENNPJPDXWSHOY-UHFFFAOYSA-N 0 0 156.273 1.810 10 0 ADAERN C[C@H]1C=CCC[C@@]1(C)CO 59996587 343349689 /nfs/dbraw/zinc/34/96/89/343349689.db2.gz BSCCVZOYGPZABE-IUCAKERBSA-N 0 0 140.226 1.971 10 0 ADAERN CCc1ccnc(NC(C)=O)c1 60023639 343349786 /nfs/dbraw/zinc/34/97/86/343349786.db2.gz MCYSZSCBLLYORE-UHFFFAOYSA-N 0 0 164.208 1.602 10 0 ADAERN O=C(Cc1ccccc1)N1CCC1 59980145 343349796 /nfs/dbraw/zinc/34/97/96/343349796.db2.gz HXFKEAUPENVJFI-UHFFFAOYSA-N 0 0 175.231 1.461 10 0 ADAERN NNCC1C2CC3CC(C2)CC1C3 60025172 343349818 /nfs/dbraw/zinc/34/98/18/343349818.db2.gz CKGAEWQIIXVSBQ-UHFFFAOYSA-N 0 0 180.295 1.522 10 0 ADAERN CNC(=O)c1cc2cccc(N)c2[nH]1 59973663 343349833 /nfs/dbraw/zinc/34/98/33/343349833.db2.gz XRIDDZOGLJLCDC-UHFFFAOYSA-N 0 0 189.218 1.110 10 0 ADAERN CCc1cccc(NC=O)c1 60010399 343349835 /nfs/dbraw/zinc/34/98/35/343349835.db2.gz AUFXAJHBWJQUMK-UHFFFAOYSA-N 0 0 149.193 1.817 10 0 ADAERN C=CC[C@@H]1C(=O)O[C@H]1C 60047617 343350113 /nfs/dbraw/zinc/35/01/13/343350113.db2.gz SJRXSLXDBQVGIP-WDSKDSINSA-N 0 0 126.155 1.124 10 0 ADAERN CC(C)c1cncnc1 60057524 343350222 /nfs/dbraw/zinc/35/02/22/343350222.db2.gz BAUXVVCVEDWRGY-UHFFFAOYSA-N 0 0 122.171 1.600 10 0 ADAERN OCCNc1ncc2sccc2n1 60054936 343350251 /nfs/dbraw/zinc/35/02/51/343350251.db2.gz ULKSTMILTLVANF-UHFFFAOYSA-N 0 0 195.247 1.096 10 0 ADAERN NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 60030990 343350259 /nfs/dbraw/zinc/35/02/59/343350259.db2.gz MQXMXUUWAQKLDF-UWVGGRQHSA-N 0 0 190.246 1.458 10 0 ADAERN C[C@@H](NC=O)c1cccs1 60073466 343350514 /nfs/dbraw/zinc/35/05/14/343350514.db2.gz GYFGSYZDTMHJSS-ZCFIWIBFSA-N 0 0 155.222 1.555 10 0 ADAERN C[C@@H]1CCc2cccnc2N1 60092718 343350533 /nfs/dbraw/zinc/35/05/33/343350533.db2.gz AMSPPJVQIKYSPE-SSDOTTSWSA-N 0 0 148.209 1.828 10 0 ADAERN C[C@H](NC=O)c1cccs1 60073464 343350546 /nfs/dbraw/zinc/35/05/46/343350546.db2.gz GYFGSYZDTMHJSS-LURJTMIESA-N 0 0 155.222 1.555 10 0 ADAERN C[C@H]1CCc2cccnc2N1 60092719 343350553 /nfs/dbraw/zinc/35/05/53/343350553.db2.gz AMSPPJVQIKYSPE-ZETCQYMHSA-N 0 0 148.209 1.828 10 0 ADAERN CCOc1ccc(OC)cc1C(N)=O 60138230 343350881 /nfs/dbraw/zinc/35/08/81/343350881.db2.gz BAFPIVSUZRAYKE-UHFFFAOYSA-N 0 0 195.218 1.193 10 0 ADAERN CCOC(=O)c1[nH]c(C)c(C)c1OC 60119110 343350896 /nfs/dbraw/zinc/35/08/96/343350896.db2.gz RFMXUHHQXJHAGG-UHFFFAOYSA-N 0 0 197.234 1.817 10 0 ADAERN Cc1cc(C)c2c(N)n[nH]c2c1 60136627 343350953 /nfs/dbraw/zinc/35/09/53/343350953.db2.gz IALVHISLILHVGZ-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN [O-][n+]1onc2ccc3ccccc3c21 60147537 343351001 /nfs/dbraw/zinc/35/10/01/343351001.db2.gz LCIOUNMNZGYQJO-UHFFFAOYSA-N 0 0 186.170 1.614 10 0 ADAERN CC(=O)[C@@H]1NCCc2ccccc21 60124842 343351058 /nfs/dbraw/zinc/35/10/58/343351058.db2.gz SZMQCAOWTUUKDG-NSHDSACASA-N 0 0 175.231 1.462 10 0 ADAERN O=C1CC(=O)N(c2ccsc2)C1 60141795 343351073 /nfs/dbraw/zinc/35/10/73/343351073.db2.gz AJZYQCGTSFXNHL-UHFFFAOYSA-N 0 0 181.216 1.054 10 0 ADAERN CC(C)[C@@H](C)CNC=O 60122155 343351095 /nfs/dbraw/zinc/35/10/95/343351095.db2.gz UNLMQBXDIAEOAI-ZETCQYMHSA-N 0 0 129.203 1.025 10 0 ADAERN CC(C)[C@H](C)CNC=O 60122158 343351132 /nfs/dbraw/zinc/35/11/32/343351132.db2.gz UNLMQBXDIAEOAI-SSDOTTSWSA-N 0 0 129.203 1.025 10 0 ADAERN CC(=O)[C@H]1NCCc2ccccc21 60124840 343351163 /nfs/dbraw/zinc/35/11/63/343351163.db2.gz SZMQCAOWTUUKDG-LLVKDONJSA-N 0 0 175.231 1.462 10 0 ADAERN CC(=O)[C@]1(C)C[C@H](O)CC1(C)C 60117639 343351199 /nfs/dbraw/zinc/35/11/99/343351199.db2.gz LXXAUFIHHGJZMV-SCZZXKLOSA-N 0 0 170.252 1.763 10 0 ADAERN CCc1nc2c(C)ccnc2[nH]1 60142023 343351202 /nfs/dbraw/zinc/35/12/02/343351202.db2.gz SCXGFWVSSJTXBF-UHFFFAOYSA-N 0 0 161.208 1.829 10 0 ADAERN CCOc1cc(N)c(Cl)cc1N 60140385 343351215 /nfs/dbraw/zinc/35/12/15/343351215.db2.gz YJBUTLRGAZYVNO-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN O=C1C/C(=C/c2ccccc2)C(=O)N1 60123814 343351224 /nfs/dbraw/zinc/35/12/24/343351224.db2.gz FLHBCOKNLNJEHU-TWGQIWQCSA-N 0 0 187.198 1.117 10 0 ADAERN C[C@@H](NC=O)c1ccccc1F 60176186 343351412 /nfs/dbraw/zinc/35/14/12/343351412.db2.gz BJOWJDYPUKHEBI-SSDOTTSWSA-N 0 0 167.183 1.633 10 0 ADAERN Nc1nc(Cl)c(Cl)[nH]c1=S 60190361 343351501 /nfs/dbraw/zinc/35/15/01/343351501.db2.gz VKBQPLCCWHFJEG-UHFFFAOYSA-N 0 0 196.062 1.654 10 0 ADAERN COc1cc(CNN)ccc1Cl 60187354 343351512 /nfs/dbraw/zinc/35/15/12/343351512.db2.gz HNSMCIGVJAAADX-UHFFFAOYSA-N 0 0 186.642 1.312 10 0 ADAERN COc1cc2ccn(C)c2cc1O 60176340 343351611 /nfs/dbraw/zinc/35/16/11/343351611.db2.gz FGOKATIHHQVOFL-UHFFFAOYSA-N 0 0 177.203 1.893 10 0 ADAERN COc1ccccc1[C@H](C)NC=O 60176183 343351614 /nfs/dbraw/zinc/35/16/14/343351614.db2.gz CZTBFSLUUZCVIO-QMMMGPOBSA-N 0 0 179.219 1.502 10 0 ADAERN CCOC(=O)COc1ccsc1 60170062 343351628 /nfs/dbraw/zinc/35/16/28/343351628.db2.gz POMYZIRBBVIADX-UHFFFAOYSA-N 0 0 186.232 1.690 10 0 ADAERN COc1cccc([C@@H](C)NC=O)c1 60176271 343351637 /nfs/dbraw/zinc/35/16/37/343351637.db2.gz XEPSBFBRLYCVIR-MRVPVSSYSA-N 0 0 179.219 1.502 10 0 ADAERN COc1cccc([C@H](C)NC=O)c1 60176270 343351653 /nfs/dbraw/zinc/35/16/53/343351653.db2.gz XEPSBFBRLYCVIR-QMMMGPOBSA-N 0 0 179.219 1.502 10 0 ADAERN C[C@H](NC=O)c1ccccc1F 60176185 343351739 /nfs/dbraw/zinc/35/17/39/343351739.db2.gz BJOWJDYPUKHEBI-ZETCQYMHSA-N 0 0 167.183 1.633 10 0 ADAERN Cc1sccc1CO 60237701 343351872 /nfs/dbraw/zinc/35/18/72/343351872.db2.gz RLNQWCWFDMCNKC-UHFFFAOYSA-N 0 0 128.196 1.549 10 0 ADAERN CC(C)OC1CCC(O)CC1 60225583 343351886 /nfs/dbraw/zinc/35/18/86/343351886.db2.gz RFFUHTURDFLWHE-UHFFFAOYSA-N 0 0 158.241 1.715 10 0 ADAERN CCN(C(N)=O)c1cccc(O)c1 60238794 343351915 /nfs/dbraw/zinc/35/19/15/343351915.db2.gz LEOFGSBNXDSADG-UHFFFAOYSA-N 0 0 180.207 1.297 10 0 ADAERN CCNC(=O)c1cccc(OCC)c1 60249511 343351973 /nfs/dbraw/zinc/35/19/73/343351973.db2.gz FRJONXWDKBPDFU-UHFFFAOYSA-N 0 0 193.246 1.835 10 0 ADAERN CSc1c(C=O)c(C)nn1C 60223364 343351975 /nfs/dbraw/zinc/35/19/75/343351975.db2.gz LJIBRZCONWGCNG-UHFFFAOYSA-N 0 0 170.237 1.263 10 0 ADAERN CC(=O)c1c(C)cc(O)c(C)c1O 60237656 343351983 /nfs/dbraw/zinc/35/19/83/343351983.db2.gz PPZOUYHHVJTHSR-UHFFFAOYSA-N 0 0 180.203 1.917 10 0 ADAERN CNc1nc(Cl)nc(NC2CC2)n1 60237706 343352027 /nfs/dbraw/zinc/35/20/27/343352027.db2.gz YNQOIUWYAFEDSZ-UHFFFAOYSA-N 0 0 199.645 1.141 10 0 ADAERN CSc1nc(Cl)ncc1N 60203074 343352095 /nfs/dbraw/zinc/35/20/95/343352095.db2.gz XVFGOHLDAOAJDK-UHFFFAOYSA-N 0 0 175.644 1.434 10 0 ADAERN COc1cc(N)cc(C)c1C 60237663 343352133 /nfs/dbraw/zinc/35/21/33/343352133.db2.gz MFITYIKFSYHAQN-UHFFFAOYSA-N 0 0 151.209 1.894 10 0 ADAERN CC(C)[C@H](C)NC(=O)c1ccc[nH]1 60249633 343352293 /nfs/dbraw/zinc/35/22/93/343352293.db2.gz VAGCITATIKOYGQ-QMMMGPOBSA-N 0 0 180.251 1.789 10 0 ADAERN CNc1ccc(C(C)=O)cn1 60258000 343352371 /nfs/dbraw/zinc/35/23/71/343352371.db2.gz HMNVZNFNDOIKCM-UHFFFAOYSA-N 0 0 150.181 1.326 10 0 ADAERN CCc1c(C)nn(C)c1Cl 60249588 343352416 /nfs/dbraw/zinc/35/24/16/343352416.db2.gz KWMHZDXEECSFLP-UHFFFAOYSA-N 0 0 158.632 1.944 10 0 ADAERN Cc1cccc(CN(C)C=O)c1 60259682 343352460 /nfs/dbraw/zinc/35/24/60/343352460.db2.gz JGLRUPWNSXYVQB-UHFFFAOYSA-N 0 0 163.220 1.583 10 0 ADAERN CC(C)[C@@H](C)NC(=O)c1ccc[nH]1 60249632 343352528 /nfs/dbraw/zinc/35/25/28/343352528.db2.gz VAGCITATIKOYGQ-MRVPVSSYSA-N 0 0 180.251 1.789 10 0 ADAERN CCNC(=O)C1CCC(C)CC1 60249923 343352585 /nfs/dbraw/zinc/35/25/85/343352585.db2.gz NTGKWYOYEVAPQB-UHFFFAOYSA-N 0 0 169.268 1.949 10 0 ADAERN OCc1nccn1CC1CCCC1 60280900 343352785 /nfs/dbraw/zinc/35/27/85/343352785.db2.gz GNVSAQJJYDRMRH-UHFFFAOYSA-N 0 0 180.251 1.566 10 0 ADAERN CC[C@@H]1CC[C@H](C(=O)OC)C1 60272942 343352881 /nfs/dbraw/zinc/35/28/81/343352881.db2.gz OPPQXFJWBOHJKL-SFYZADRCSA-N 0 0 156.225 1.986 10 0 ADAERN CC[C@@H]1CC[C@@H](C(=O)OC)C1 60272947 343352901 /nfs/dbraw/zinc/35/29/01/343352901.db2.gz OPPQXFJWBOHJKL-HTQZYQBOSA-N 0 0 156.225 1.986 10 0 ADAERN CC(C)=CC[C@@H](O)[C@@H](C)CO 60289458 343352905 /nfs/dbraw/zinc/35/29/05/343352905.db2.gz KRECCBPYTXXJED-DTWKUNHWSA-N 0 0 158.241 1.332 10 0 ADAERN O=Cc1nccn1CC1CCCC1 60280882 343352907 /nfs/dbraw/zinc/35/29/07/343352907.db2.gz QSPAWWHPAXMIRM-UHFFFAOYSA-N 0 0 178.235 1.886 10 0 ADAERN C[C@H]1C(=O)Nc2ccccc2N1C 60283169 343352922 /nfs/dbraw/zinc/35/29/22/343352922.db2.gz TWJAAIRBRASMGO-ZETCQYMHSA-N 0 0 176.219 1.463 10 0 ADAERN C[C@@H]1C(=O)Nc2ccccc2N1C 60283168 343352926 /nfs/dbraw/zinc/35/29/26/343352926.db2.gz TWJAAIRBRASMGO-SSDOTTSWSA-N 0 0 176.219 1.463 10 0 ADAERN Cc1ccc(CO)c(N(C)C)c1 60268185 343352943 /nfs/dbraw/zinc/35/29/43/343352943.db2.gz QMODECHJDIYWJY-UHFFFAOYSA-N 0 0 165.236 1.553 10 0 ADAERN CC[C@H]1CC[C@H](C(=O)OC)C1 60272944 343353054 /nfs/dbraw/zinc/35/30/54/343353054.db2.gz OPPQXFJWBOHJKL-YUMQZZPRSA-N 0 0 156.225 1.986 10 0 ADAERN COc1cccc(N(C)C)n1 60273196 343353093 /nfs/dbraw/zinc/35/30/93/343353093.db2.gz CZIXUTJRADYYON-UHFFFAOYSA-N 0 0 152.197 1.156 10 0 ADAERN CNC(=O)Nc1ccc(O)c(C)c1 60299606 343353257 /nfs/dbraw/zinc/35/32/57/343353257.db2.gz JGMQQKUHVWYVLL-UHFFFAOYSA-N 0 0 180.207 1.452 10 0 ADAERN CCc1nn(C)cc1Cl 60303487 343353366 /nfs/dbraw/zinc/35/33/66/343353366.db2.gz LDNSLSFDOZOWLB-UHFFFAOYSA-N 0 0 144.605 1.636 10 0 ADAERN C[C@@H](C(=O)[O-])c1cccc(C[NH3+])c1 60310671 343353462 /nfs/dbraw/zinc/35/34/62/343353462.db2.gz RSTILXQZRMWDAN-SSDOTTSWSA-N 0 0 179.219 1.333 10 0 ADAERN C[C@H](C(=O)[O-])c1cccc(C[NH3+])c1 60310669 343353476 /nfs/dbraw/zinc/35/34/76/343353476.db2.gz RSTILXQZRMWDAN-ZETCQYMHSA-N 0 0 179.219 1.333 10 0 ADAERN c1cc(CNCc2cn[nH]c2)co1 60394177 343353818 /nfs/dbraw/zinc/35/38/18/343353818.db2.gz LUHKTCGMOXVLFV-UHFFFAOYSA-N 0 0 177.207 1.293 10 0 ADAERN Cn1cc([C@@H]2CCCC2=O)cn1 60710918 343354175 /nfs/dbraw/zinc/35/41/75/343354175.db2.gz JETWMIFXABPILX-QMMMGPOBSA-N 0 0 164.208 1.257 10 0 ADAERN O=C1CCC[C@H]1c1cncnc1 60710782 343354173 /nfs/dbraw/zinc/35/41/73/343354173.db2.gz ABMOYRCHSQDFFE-QMMMGPOBSA-N 0 0 162.192 1.313 10 0 ADAERN O=C1CCC[C@@H]1c1cncnc1 60710811 343354284 /nfs/dbraw/zinc/35/42/84/343354284.db2.gz ABMOYRCHSQDFFE-MRVPVSSYSA-N 0 0 162.192 1.313 10 0 ADAERN CCn1cc([C@@H]2CCCC2=O)cn1 60710932 343354295 /nfs/dbraw/zinc/35/42/95/343354295.db2.gz FZSYLCQMRURUHP-VIFPVBQESA-N 0 0 178.235 1.740 10 0 ADAERN CCn1cc([C@H]2CCCC2=O)cn1 60710936 343354343 /nfs/dbraw/zinc/35/43/43/343354343.db2.gz FZSYLCQMRURUHP-SECBINFHSA-N 0 0 178.235 1.740 10 0 ADAERN Cn1cc([C@H]2CCCC2=O)cn1 60710921 343354345 /nfs/dbraw/zinc/35/43/45/343354345.db2.gz JETWMIFXABPILX-MRVPVSSYSA-N 0 0 164.208 1.257 10 0 ADAERN Cc1cc(NC[C@H](C)O)ccc1F 61097493 343354893 /nfs/dbraw/zinc/35/48/93/343354893.db2.gz NMCFNYVMJRBLEJ-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN N#CNc1cc(F)c(F)c(F)c1 61096562 343354900 /nfs/dbraw/zinc/35/49/00/343354900.db2.gz JEPORWRSQOUKPA-UHFFFAOYSA-N 0 0 172.109 1.997 10 0 ADAERN S=c1[nH]ccn1C[C@@H]1CCOC1 61146895 343355017 /nfs/dbraw/zinc/35/50/17/343355017.db2.gz IUVCDIFCFQNFQV-ZETCQYMHSA-N 0 0 184.264 1.582 10 0 ADAERN S=c1[nH]ccn1C[C@H]1CCOC1 61146896 343355089 /nfs/dbraw/zinc/35/50/89/343355089.db2.gz IUVCDIFCFQNFQV-SSDOTTSWSA-N 0 0 184.264 1.582 10 0 ADAERN Cc1cc(NC[C@@H](C)O)ccc1F 61097492 343355100 /nfs/dbraw/zinc/35/51/00/343355100.db2.gz NMCFNYVMJRBLEJ-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN CNC(=O)CNc1ccc(F)c(C)c1 61096838 343355110 /nfs/dbraw/zinc/35/51/10/343355110.db2.gz BVKFUSRBICQWSV-UHFFFAOYSA-N 0 0 196.225 1.292 10 0 ADAERN Cc1n[nH]c(=S)n1C[C@@H]1CCOC1 61146909 343355132 /nfs/dbraw/zinc/35/51/32/343355132.db2.gz AVWZKAXCPGGJDX-ZETCQYMHSA-N 0 0 199.279 1.286 10 0 ADAERN Cc1cc(N2CCC(=O)C2)ccc1F 61118170 343355182 /nfs/dbraw/zinc/35/51/82/343355182.db2.gz GCMSBQSKYNQWDG-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN NC(=O)Nc1cc(F)cc(F)c1F 61118180 343355185 /nfs/dbraw/zinc/35/51/85/343355185.db2.gz YWSXCBZRHQFAGC-UHFFFAOYSA-N 0 0 190.124 1.595 10 0 ADAERN Cc1cc(NCCCO)ccc1F 61097665 343355212 /nfs/dbraw/zinc/35/52/12/343355212.db2.gz KCXZSKBYDYOMHS-UHFFFAOYSA-N 0 0 183.226 1.928 10 0 ADAERN Cc1cc(NCCC(N)=O)ccc1F 61097084 343355234 /nfs/dbraw/zinc/35/52/34/343355234.db2.gz VXWMRUIISKIVMR-UHFFFAOYSA-N 0 0 196.225 1.421 10 0 ADAERN Cc1n[nH]c(=S)n1C[C@H]1CCOC1 61146910 343355241 /nfs/dbraw/zinc/35/52/41/343355241.db2.gz AVWZKAXCPGGJDX-SSDOTTSWSA-N 0 0 199.279 1.286 10 0 ADAERN CNC(C)(C)c1nc(C(C)C)no1 61151333 343355547 /nfs/dbraw/zinc/35/55/47/343355547.db2.gz NUSJHPZLJROGMM-UHFFFAOYSA-N 0 0 183.255 1.648 10 0 ADAERN CCCN1C(=O)C[C@H](C)N(CC)C1=O 61213446 343355537 /nfs/dbraw/zinc/35/55/37/343355537.db2.gz ODHWAVHTZVABNR-QMMMGPOBSA-N 0 0 198.266 1.459 10 0 ADAERN CCN1C(=O)N(C(C)C)C(=O)C1(C)C 61151815 343355542 /nfs/dbraw/zinc/35/55/42/343355542.db2.gz QXHFQKPMSCFGCN-UHFFFAOYSA-N 0 0 198.266 1.458 10 0 ADAERN CCN1C(=O)N(CC)C(C)(C)C1=O 61151784 343355581 /nfs/dbraw/zinc/35/55/81/343355581.db2.gz MNWMUWVJGQDYNQ-UHFFFAOYSA-N 0 0 184.239 1.069 10 0 ADAERN CCN1C[C@H](C)C(=O)N(C(C)C)C1=O 61221331 343355608 /nfs/dbraw/zinc/35/56/08/343355608.db2.gz VDPXKFKTYIZZNU-QMMMGPOBSA-N 0 0 198.266 1.315 10 0 ADAERN CCCN1C(=O)[C@@H](C)CN(CC)C1=O 61221249 343355623 /nfs/dbraw/zinc/35/56/23/343355623.db2.gz XLJKVXBDVNKMIW-QMMMGPOBSA-N 0 0 198.266 1.317 10 0 ADAERN O=Cc1cccn1C[C@H]1CCOC1 61147630 343355637 /nfs/dbraw/zinc/35/56/37/343355637.db2.gz NTTTXVLNQBNOGJ-SECBINFHSA-N 0 0 179.219 1.337 10 0 ADAERN CCCN1C(=O)[C@H](C)CN(CC)C1=O 61221247 343355643 /nfs/dbraw/zinc/35/56/43/343355643.db2.gz XLJKVXBDVNKMIW-MRVPVSSYSA-N 0 0 198.266 1.317 10 0 ADAERN CCN1C(=O)N(C2CC2)C(=O)C1(C)C 61151817 343355645 /nfs/dbraw/zinc/35/56/45/343355645.db2.gz GMUQKGWZERMSBI-UHFFFAOYSA-N 0 0 196.250 1.212 10 0 ADAERN CCCN1C(=O)C[C@@H](C)N(CC)C1=O 61213447 343355649 /nfs/dbraw/zinc/35/56/49/343355649.db2.gz ODHWAVHTZVABNR-MRVPVSSYSA-N 0 0 198.266 1.459 10 0 ADAERN CCN1C[C@@H](C)C(=O)N(C(C)C)C1=O 61221332 343355650 /nfs/dbraw/zinc/35/56/50/343355650.db2.gz VDPXKFKTYIZZNU-MRVPVSSYSA-N 0 0 198.266 1.315 10 0 ADAERN CN(c1cc[nH+]cc1)C(C)(C)C(=O)[O-] 61171289 343355678 /nfs/dbraw/zinc/35/56/78/343355678.db2.gz VOJZZWSJGKRXDR-UHFFFAOYSA-N 0 0 194.234 1.381 10 0 ADAERN CNC(C)(C)c1nc(C2CC2)no1 61151351 343355688 /nfs/dbraw/zinc/35/56/88/343355688.db2.gz KDCXUQKFLBBMOZ-UHFFFAOYSA-N 0 0 181.239 1.402 10 0 ADAERN CCCN1C(=O)N(CC)C(C)(C)C1=O 61151782 343355726 /nfs/dbraw/zinc/35/57/26/343355726.db2.gz ZFSQZNCWGVYJKD-UHFFFAOYSA-N 0 0 198.266 1.459 10 0 ADAERN C[C@H](NC(N)=S)c1ccsc1 61364155 343356021 /nfs/dbraw/zinc/35/60/21/343356021.db2.gz RDTPRGGMDGVBHD-YFKPBYRVSA-N 0 0 186.305 1.642 10 0 ADAERN NN[C@H]1CCCc2sccc21 61329978 343356112 /nfs/dbraw/zinc/35/61/12/343356112.db2.gz IBOLTOQHTADHRR-ZETCQYMHSA-N 0 0 168.265 1.589 10 0 ADAERN C[C@H](NC#N)c1ccsc1 61362762 343356187 /nfs/dbraw/zinc/35/61/87/343356187.db2.gz CQDAYOPYIZKNEF-LURJTMIESA-N 0 0 152.222 1.880 10 0 ADAERN C[C@@H](NC#N)c1ccsc1 61362763 343356226 /nfs/dbraw/zinc/35/62/26/343356226.db2.gz CQDAYOPYIZKNEF-ZCFIWIBFSA-N 0 0 152.222 1.880 10 0 ADAERN C[C@@H](NC(N)=S)c1ccsc1 61364159 343356232 /nfs/dbraw/zinc/35/62/32/343356232.db2.gz RDTPRGGMDGVBHD-RXMQYKEDSA-N 0 0 186.305 1.642 10 0 ADAERN NN[C@@H]1CCCc2sccc21 61329976 343356335 /nfs/dbraw/zinc/35/63/35/343356335.db2.gz IBOLTOQHTADHRR-SSDOTTSWSA-N 0 0 168.265 1.589 10 0 ADAERN CC[C@H](N)c1nnc(C(F)F)o1 61497299 343356679 /nfs/dbraw/zinc/35/66/79/343356679.db2.gz QLGJSEAORCAKLA-VKHMYHEASA-N 0 0 177.154 1.417 10 0 ADAERN CC[C@@H](N)c1nnc([C@H]2CCCO2)o1 61496877 343356700 /nfs/dbraw/zinc/35/67/00/343356700.db2.gz XFVGDPKENYLOHS-RNFRBKRXSA-N 0 0 197.238 1.331 10 0 ADAERN CC[C@@H](N)c1nnc([C@@H]2CCCO2)o1 61496872 343356709 /nfs/dbraw/zinc/35/67/09/343356709.db2.gz XFVGDPKENYLOHS-RQJHMYQMSA-N 0 0 197.238 1.331 10 0 ADAERN CN(CC1CCC1)c1ccc(N)nc1 61455765 343356767 /nfs/dbraw/zinc/35/67/67/343356767.db2.gz ILWZUSJLVKSZFT-UHFFFAOYSA-N 0 0 191.278 1.900 10 0 ADAERN CC[C@H](N)c1nnc([C@@H]2CCCO2)o1 61496871 343356779 /nfs/dbraw/zinc/35/67/79/343356779.db2.gz XFVGDPKENYLOHS-BQBZGAKWSA-N 0 0 197.238 1.331 10 0 ADAERN CC[C@@H](N)c1nnc(C(F)F)o1 61497301 343356857 /nfs/dbraw/zinc/35/68/57/343356857.db2.gz QLGJSEAORCAKLA-GSVOUGTGSA-N 0 0 177.154 1.417 10 0 ADAERN CC[C@H](N)c1nnc(-c2ccoc2)o1 61497774 343356927 /nfs/dbraw/zinc/35/69/27/343356927.db2.gz FJSNQKVFDMTJLM-ZETCQYMHSA-N 0 0 193.206 1.739 10 0 ADAERN CC[C@H](N)c1nnc([C@H]2CCCO2)o1 61496873 343356936 /nfs/dbraw/zinc/35/69/36/343356936.db2.gz XFVGDPKENYLOHS-NKWVEPMBSA-N 0 0 197.238 1.331 10 0 ADAERN NNCc1cccc2ncccc12 61413456 343356982 /nfs/dbraw/zinc/35/69/82/343356982.db2.gz PUQAOBBKYOQAFC-UHFFFAOYSA-N 0 0 173.219 1.198 10 0 ADAERN CC[C@H](N)c1nnc(C(C)(C)C)o1 61497309 343356996 /nfs/dbraw/zinc/35/69/96/343356996.db2.gz SFLMRSZHLYQFPU-LURJTMIESA-N 0 0 183.255 1.777 10 0 ADAERN CC[C@@H](N)c1nnc(-c2ccoc2)o1 61497778 343357032 /nfs/dbraw/zinc/35/70/32/343357032.db2.gz FJSNQKVFDMTJLM-SSDOTTSWSA-N 0 0 193.206 1.739 10 0 ADAERN CC[C@H](N)c1nnc(C2CC2)o1 61497794 343357347 /nfs/dbraw/zinc/35/73/47/343357347.db2.gz DKEGYMOIAYBSHW-LURJTMIESA-N 0 0 167.212 1.357 10 0 ADAERN Cc1cc(N)n([C@@H]2CCCSC2)n1 61589758 343357352 /nfs/dbraw/zinc/35/73/52/343357352.db2.gz ZPATVBHWPLNCTO-MRVPVSSYSA-N 0 0 197.307 1.842 10 0 ADAERN Cc1cnn([C@H]2CCCSC2)c1N 61589755 343357410 /nfs/dbraw/zinc/35/74/10/343357410.db2.gz DYGBRGAXMPEFJB-QMMMGPOBSA-N 0 0 197.307 1.842 10 0 ADAERN CC[C@@H](N)c1nnc(C2CC2)o1 61497797 343357434 /nfs/dbraw/zinc/35/74/34/343357434.db2.gz DKEGYMOIAYBSHW-ZCFIWIBFSA-N 0 0 167.212 1.357 10 0 ADAERN CC1(C)C[C@H]1n1c(=O)[nH][nH]c1=S 61591321 343357843 /nfs/dbraw/zinc/35/78/43/343357843.db2.gz OXIHJEKNRBJRFN-SCSAIBSYSA-N 0 0 185.252 1.205 10 0 ADAERN CCC(C)(C)n1c(=O)[nH][nH]c1=S 61591636 343357881 /nfs/dbraw/zinc/35/78/81/343357881.db2.gz JTDCHUAIUYRPGW-UHFFFAOYSA-N 0 0 187.268 1.379 10 0 ADAERN CC(C)CCn1c(=O)[nH][nH]c1=S 61591584 343357889 /nfs/dbraw/zinc/35/78/89/343357889.db2.gz JJCAUVRVAQWPER-UHFFFAOYSA-N 0 0 187.268 1.280 10 0 ADAERN CCC[C@H](C)n1c(=O)[nH][nH]c1=S 61591538 343357916 /nfs/dbraw/zinc/35/79/16/343357916.db2.gz KDUYDCHDIOBLCC-YFKPBYRVSA-N 0 0 187.268 1.595 10 0 ADAERN CC(C)(C)[C@@H](O)Cn1ccc(=O)cc1 61628467 343357920 /nfs/dbraw/zinc/35/79/20/343357920.db2.gz WLLQNKUKEDZSAQ-JTQLQIEISA-N 0 0 195.262 1.255 10 0 ADAERN O=c1[nH][nH]c(=S)n1CC1CCC1 61591168 343357932 /nfs/dbraw/zinc/35/79/32/343357932.db2.gz AEBULVVNABQOMP-UHFFFAOYSA-N 0 0 185.252 1.034 10 0 ADAERN CC(C)(C)Cn1c(=O)[nH][nH]c1=S 61591286 343357950 /nfs/dbraw/zinc/35/79/50/343357950.db2.gz YKIANUNBLBTYQM-UHFFFAOYSA-N 0 0 187.268 1.280 10 0 ADAERN CC(C)(C)[C@H](O)Cn1ccc(=O)cc1 61628466 343357957 /nfs/dbraw/zinc/35/79/57/343357957.db2.gz WLLQNKUKEDZSAQ-SNVBAGLBSA-N 0 0 195.262 1.255 10 0 ADAERN CC(C)[C@@H](C)n1c(=O)[nH][nH]c1=S 61591504 343357960 /nfs/dbraw/zinc/35/79/60/343357960.db2.gz QLSZDENXHIZLTA-RXMQYKEDSA-N 0 0 187.268 1.451 10 0 ADAERN O=c1[nH][nH]c(=S)n1CC1CCCC1 61591172 343357967 /nfs/dbraw/zinc/35/79/67/343357967.db2.gz FACQVCKOTRCFNH-UHFFFAOYSA-N 0 0 199.279 1.424 10 0 ADAERN CCC[C@@H](C)n1c(=O)[nH][nH]c1=S 61591537 343358025 /nfs/dbraw/zinc/35/80/25/343358025.db2.gz KDUYDCHDIOBLCC-RXMQYKEDSA-N 0 0 187.268 1.595 10 0 ADAERN Cn1nc(C(F)F)c(CO)c1Cl 61629101 343358029 /nfs/dbraw/zinc/35/80/29/343358029.db2.gz OWJSUNGDWUHQDU-UHFFFAOYSA-N 0 0 196.584 1.503 10 0 ADAERN CN(C)Cc1nc(N)ccc1Cl 61630793 343358038 /nfs/dbraw/zinc/35/80/38/343358038.db2.gz OMGPCVZFDNSBRV-UHFFFAOYSA-N 0 0 185.658 1.379 10 0 ADAERN Cc1nc(C2CCOCC2)n[nH]1 61673091 343358291 /nfs/dbraw/zinc/35/82/91/343358291.db2.gz DYLNRNUUWWHGQK-UHFFFAOYSA-N 0 0 167.212 1.007 10 0 ADAERN O[C@H](C1=CCCC1)C1CCOCC1 61673333 343358331 /nfs/dbraw/zinc/35/83/31/343358331.db2.gz GKNYYILGKGYQCG-LLVKDONJSA-N 0 0 182.263 1.884 10 0 ADAERN CC(C)c1nnc(C2CCOCC2)[nH]1 61673093 343358373 /nfs/dbraw/zinc/35/83/73/343358373.db2.gz RNYYZTGEBMOHPL-UHFFFAOYSA-N 0 0 195.266 1.822 10 0 ADAERN CNc1ccc(Cl)c(CO)n1 61640437 343358422 /nfs/dbraw/zinc/35/84/22/343358422.db2.gz LUMHNLXQWSAYFP-UHFFFAOYSA-N 0 0 172.615 1.269 10 0 ADAERN CCc1n[nH]c(C2CCOCC2)n1 61673092 343358428 /nfs/dbraw/zinc/35/84/28/343358428.db2.gz NDOXVCIQLZCTCC-UHFFFAOYSA-N 0 0 181.239 1.261 10 0 ADAERN CN(C)C(=O)c1ccc2c[nH]nc2c1 61670207 343358503 /nfs/dbraw/zinc/35/85/03/343358503.db2.gz PUKMALRJUQGYHL-UHFFFAOYSA-N 0 0 189.218 1.265 10 0 ADAERN O[C@@H](C1=CCCC1)C1CCOCC1 61673332 343358509 /nfs/dbraw/zinc/35/85/09/343358509.db2.gz GKNYYILGKGYQCG-NSHDSACASA-N 0 0 182.263 1.884 10 0 ADAERN O=C(c1ccco1)C1CCOCC1 61671282 343358514 /nfs/dbraw/zinc/35/85/14/343358514.db2.gz IKTIHJPSMZIGNS-UHFFFAOYSA-N 0 0 180.203 1.889 10 0 ADAERN CNc1ccc(Cl)c(COC)n1 61639887 343358516 /nfs/dbraw/zinc/35/85/16/343358516.db2.gz QKEAUSXXHBQJEZ-UHFFFAOYSA-N 0 0 186.642 1.923 10 0 ADAERN Cn1nccc1-c1n[nH]c(C2CC2)n1 61665596 343358530 /nfs/dbraw/zinc/35/85/30/343358530.db2.gz YJZJTFZQVPTBRB-UHFFFAOYSA-N 0 0 189.222 1.083 10 0 ADAERN CCCc1nc(-c2ccnn2C)n[nH]1 61665595 343358532 /nfs/dbraw/zinc/35/85/32/343358532.db2.gz GYTPGZDLCHMUAM-UHFFFAOYSA-N 0 0 191.238 1.158 10 0 ADAERN C1CC(c2nnc(C3CC3)[nH]2)CCO1 61673095 343358560 /nfs/dbraw/zinc/35/85/60/343358560.db2.gz WXNMYOLRBNQDGG-UHFFFAOYSA-N 0 0 193.250 1.576 10 0 ADAERN CCc1c(N)n[nH]c1C1CCOCC1 61672545 343358576 /nfs/dbraw/zinc/35/85/76/343358576.db2.gz DCHKOOOTFJCCQW-UHFFFAOYSA-N 0 0 195.266 1.448 10 0 ADAERN CC(C)c1nccn1[C@@H](C)C(N)=O 61679553 343359446 /nfs/dbraw/zinc/35/94/46/343359446.db2.gz ZCQRTSPHWCMGDE-ZETCQYMHSA-N 0 0 181.239 1.053 10 0 ADAERN C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(N)=O 61679845 343359477 /nfs/dbraw/zinc/35/94/77/343359477.db2.gz KZWDXYDZJCPRAL-HRDYMLBCSA-N 0 0 185.267 1.456 10 0 ADAERN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(N)=O 61679849 343359663 /nfs/dbraw/zinc/35/96/63/343359663.db2.gz GMXFKVPERNHMSG-GUBZILKMSA-N 0 0 199.294 1.846 10 0 ADAERN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(N)=O 61679847 343359735 /nfs/dbraw/zinc/35/97/35/343359735.db2.gz GMXFKVPERNHMSG-AEJSXWLSSA-N 0 0 199.294 1.846 10 0 ADAERN C[C@@H](C(N)=O)n1ncc2ccccc21 61679589 343359803 /nfs/dbraw/zinc/35/98/03/343359803.db2.gz IVHWUORNDQEMNC-ZETCQYMHSA-N 0 0 189.218 1.083 10 0 ADAERN c1ccn(-c2cnoc2)c1 61685686 343360074 /nfs/dbraw/zinc/36/00/74/343360074.db2.gz VZYUMWDGHPNGSK-UHFFFAOYSA-N 0 0 134.138 1.465 10 0 ADAERN CC(C)NC(=O)Nc1ccc(N)nc1 61680609 343360090 /nfs/dbraw/zinc/36/00/90/343360090.db2.gz CAZNBVVNEYHMTI-UHFFFAOYSA-N 0 0 194.238 1.194 10 0 ADAERN CC(C)n1cc(N2CCC(=O)C2)cn1 61683358 343360114 /nfs/dbraw/zinc/36/01/14/343360114.db2.gz NQCLXYSDCAUWJC-UHFFFAOYSA-N 0 0 193.250 1.243 10 0 ADAERN CC(C)n1cc(NC(N)=S)cn1 61683346 343360178 /nfs/dbraw/zinc/36/01/78/343360178.db2.gz IRJIQDXXQJTIQI-UHFFFAOYSA-N 0 0 184.268 1.120 10 0 ADAERN C/C=C/C(=O)Nc1ccc(N)nc1 61680444 343360216 /nfs/dbraw/zinc/36/02/16/343360216.db2.gz ZYICRXMIWYIWAJ-NSCUHMNNSA-N 0 0 177.207 1.178 10 0 ADAERN Cc1cc(C=O)c(C)n1-c1cnoc1 61685411 343360255 /nfs/dbraw/zinc/36/02/55/343360255.db2.gz ATAFSRKPNXONHE-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN CC(C)=CC(=O)Nc1ccc(N)nc1 61680314 343360310 /nfs/dbraw/zinc/36/03/10/343360310.db2.gz FERVCPZGDOIWHG-UHFFFAOYSA-N 0 0 191.234 1.569 10 0 ADAERN C=CC(=O)Nc1cnn(C(C)C)c1 61683321 343360341 /nfs/dbraw/zinc/36/03/41/343360341.db2.gz FGGHFNRLGBHGMO-UHFFFAOYSA-N 0 0 179.223 1.589 10 0 ADAERN CNc1ccc(C)c(N)c1 61700808 343360574 /nfs/dbraw/zinc/36/05/74/343360574.db2.gz SAXUEVVBGCDMCO-UHFFFAOYSA-N 0 0 136.198 1.619 10 0 ADAERN COCc1nc(C)c(C(C)C)c(=O)[nH]1 61688324 343360630 /nfs/dbraw/zinc/36/06/30/343360630.db2.gz JEHUGQOFADPOAP-UHFFFAOYSA-N 0 0 196.250 1.348 10 0 ADAERN Cc1nc(C)c(C(C)C)c(N)n1 61687252 343360725 /nfs/dbraw/zinc/36/07/25/343360725.db2.gz UMLACCRLWAYPHY-UHFFFAOYSA-N 0 0 165.240 1.799 10 0 ADAERN Cc1ccc(NC[C@H](C)O)cc1N 61701205 343360738 /nfs/dbraw/zinc/36/07/38/343360738.db2.gz LQOFXKLQMKEQAV-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1ccc(N(C)C[C@H](C)O)cc1N 61701977 343360798 /nfs/dbraw/zinc/36/07/98/343360798.db2.gz AZWOAWRZDDIOGW-VIFPVBQESA-N 0 0 194.278 1.394 10 0 ADAERN Cc1ccc(N(C)CCO)cc1N 61701123 343360822 /nfs/dbraw/zinc/36/08/22/343360822.db2.gz SQDOLEDXYZBIJM-UHFFFAOYSA-N 0 0 180.251 1.006 10 0 ADAERN Cc1ccc(NCCCO)cc1N 61701122 343360856 /nfs/dbraw/zinc/36/08/56/343360856.db2.gz NYKNGJZNUCHLAE-UHFFFAOYSA-N 0 0 180.251 1.372 10 0 ADAERN Cc1ccc(N[C@@H](C)CO)cc1N 61701206 343360860 /nfs/dbraw/zinc/36/08/60/343360860.db2.gz DLXQFSQQHLCJOO-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1nc(N(C)C)[nH]c(=O)c1C(C)C 61688305 343360903 /nfs/dbraw/zinc/36/09/03/343360903.db2.gz KFAPCIQLRHYABU-UHFFFAOYSA-N 0 0 195.266 1.268 10 0 ADAERN Cc1ccc(N)cc1N1CC[C@@H](O)C1 61709430 343361703 /nfs/dbraw/zinc/36/17/03/343361703.db2.gz WUZKSAFTUUFIJF-SNVBAGLBSA-N 0 0 192.262 1.148 10 0 ADAERN Cc1ccc(N2CC[C@@H](O)C2)cc1N 61709432 343361747 /nfs/dbraw/zinc/36/17/47/343361747.db2.gz PACDZQBVIOWGHX-SNVBAGLBSA-N 0 0 192.262 1.148 10 0 ADAERN C1Cc2nc(NC3CC3)sc2CO1 61714568 343362935 /nfs/dbraw/zinc/36/29/35/343362935.db2.gz YRVAUIBXQNDTOV-UHFFFAOYSA-N 0 0 196.275 1.790 10 0 ADAERN CC(C)n1ccnc(NC2CC2)c1=O 61761997 343362978 /nfs/dbraw/zinc/36/29/78/343362978.db2.gz UKTGANIXJRQZLQ-UHFFFAOYSA-N 0 0 193.250 1.399 10 0 ADAERN CC(C)Cn1cc[nH]c(=S)c1=O 61752735 343362982 /nfs/dbraw/zinc/36/29/82/343362982.db2.gz WOMQOCTZGDRVGS-UHFFFAOYSA-N 0 0 184.264 1.562 10 0 ADAERN CC[C@H](C)CNc1nccn(C)c1=O 61752292 343362986 /nfs/dbraw/zinc/36/29/86/343362986.db2.gz GYPFKURWEPPHMT-QMMMGPOBSA-N 0 0 195.266 1.238 10 0 ADAERN CN1CCc2nc(Cl)sc2C1 61714240 343363001 /nfs/dbraw/zinc/36/30/01/343363001.db2.gz BOCKAJIBGGUKCV-UHFFFAOYSA-N 0 0 188.683 1.784 10 0 ADAERN CC(C)[C@H](C)Nc1nccn(C)c1=O 61749412 343363011 /nfs/dbraw/zinc/36/30/11/343363011.db2.gz HJXWYLREQVVQJT-QMMMGPOBSA-N 0 0 195.266 1.237 10 0 ADAERN CC(C)[C@@H](C)Nc1nccn(C)c1=O 61749396 343363058 /nfs/dbraw/zinc/36/30/58/343363058.db2.gz HJXWYLREQVVQJT-MRVPVSSYSA-N 0 0 195.266 1.237 10 0 ADAERN CC(C)n1cc[nH]c(=S)c1=O 61752730 343363153 /nfs/dbraw/zinc/36/31/53/343363153.db2.gz HHWRRQYJCFFLDX-UHFFFAOYSA-N 0 0 170.237 1.487 10 0 ADAERN O=c1c(=S)[nH]ccn1C1CC1 61752731 343363197 /nfs/dbraw/zinc/36/31/97/343363197.db2.gz QZPACUOKJTYKGY-UHFFFAOYSA-N 0 0 168.221 1.241 10 0 ADAERN CC[C@H](C)Nc1nccn(CC)c1=O 61761990 343363205 /nfs/dbraw/zinc/36/32/05/343363205.db2.gz YHKZEWVLYOVCJS-QMMMGPOBSA-N 0 0 195.266 1.474 10 0 ADAERN CC(C)(C)n1cc[nH]c(=S)c1=O 61752734 343363210 /nfs/dbraw/zinc/36/32/10/343363210.db2.gz HMQPMRDIMPZAKI-UHFFFAOYSA-N 0 0 184.264 1.661 10 0 ADAERN CCCc1csc(CO)n1 61802297 343363386 /nfs/dbraw/zinc/36/33/86/343363386.db2.gz TWDUMJCVQIUWJM-UHFFFAOYSA-N 0 0 157.238 1.588 10 0 ADAERN CCN1CCc2nc(C=O)sc2C1 61798314 343363392 /nfs/dbraw/zinc/36/33/92/343363392.db2.gz VHCJHAZDCCXRMZ-UHFFFAOYSA-N 0 0 196.275 1.334 10 0 ADAERN CCn1ccnc(N[C@@H]2C[C@H]2C)c1=O 61766563 343363414 /nfs/dbraw/zinc/36/34/14/343363414.db2.gz NGGNMYBXJBYHJW-HTQZYQBOSA-N 0 0 193.250 1.084 10 0 ADAERN COCc1sc(CO)nc1C 61802526 343363422 /nfs/dbraw/zinc/36/34/22/343363422.db2.gz QEJZLTPCZPDLIA-UHFFFAOYSA-N 0 0 173.237 1.090 10 0 ADAERN COCc1sc(C=O)nc1C 61798611 343363424 /nfs/dbraw/zinc/36/34/24/343363424.db2.gz SLCPAABVJQMHLN-UHFFFAOYSA-N 0 0 171.221 1.410 10 0 ADAERN O=Cc1nc2c(s1)CSCC2 61798624 343363546 /nfs/dbraw/zinc/36/35/46/343363546.db2.gz VTOQNHPAZWUXQZ-UHFFFAOYSA-N 0 0 185.273 1.745 10 0 ADAERN CC(=O)CC(=O)N1CCC(C)(C)CC1 61821151 343364317 /nfs/dbraw/zinc/36/43/17/343364317.db2.gz TZZONWDZZQZNCC-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN CC1(C)CCN(C(N)=S)CC1 61820305 343364443 /nfs/dbraw/zinc/36/44/43/343364443.db2.gz KZRGGFHXTPHDKZ-UHFFFAOYSA-N 0 0 172.297 1.352 10 0 ADAERN CCOC(=O)C[C@H](O)CC(C)(C)C 61840756 343364751 /nfs/dbraw/zinc/36/47/51/343364751.db2.gz PVMKNDORHFROCY-QMMMGPOBSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)C[C@@H](O)CC(C)(C)C 61840757 343364939 /nfs/dbraw/zinc/36/49/39/343364939.db2.gz PVMKNDORHFROCY-MRVPVSSYSA-N 0 0 188.267 1.737 10 0 ADAERN C=CS(=O)(=O)[C@@H](C)CC 61844224 343365161 /nfs/dbraw/zinc/36/51/61/343365161.db2.gz KHHFGRSQMWJVPO-LURJTMIESA-N 0 0 148.227 1.343 10 0 ADAERN C=CS(=O)(=O)[C@H](C)CC 61844223 343365172 /nfs/dbraw/zinc/36/51/72/343365172.db2.gz KHHFGRSQMWJVPO-ZCFIWIBFSA-N 0 0 148.227 1.343 10 0 ADAERN C=CS(=O)(=O)c1cccs1 61844218 343365195 /nfs/dbraw/zinc/36/51/95/343365195.db2.gz GLKYILIHBRFERM-UHFFFAOYSA-N 0 0 174.246 1.665 10 0 ADAERN Cc1cnc(-c2nc[nH]n2)s1 61844374 343365254 /nfs/dbraw/zinc/36/52/54/343365254.db2.gz YBOSZSKLZSMHEZ-UHFFFAOYSA-N 0 0 166.209 1.237 10 0 ADAERN CCc1nc(-c2nc[nH]n2)sc1C 61844325 343365274 /nfs/dbraw/zinc/36/52/74/343365274.db2.gz PWWCCXLOPPGHBB-UHFFFAOYSA-N 0 0 194.263 1.799 10 0 ADAERN Cc1nc(-c2nc[nH]n2)sc1C 61844363 343365303 /nfs/dbraw/zinc/36/53/03/343365303.db2.gz SJLYPWSRFAAKDR-UHFFFAOYSA-N 0 0 180.236 1.545 10 0 ADAERN NC(=O)N1CCCc2cccc(O)c21 61843605 343365315 /nfs/dbraw/zinc/36/53/15/343365315.db2.gz FGHFRLQAPFDAHV-UHFFFAOYSA-N 0 0 192.218 1.224 10 0 ADAERN C=CS(=O)(=O)c1ccccc1F 61844215 343365369 /nfs/dbraw/zinc/36/53/69/343365369.db2.gz VPGWTYVZQRKPGC-UHFFFAOYSA-N 0 0 186.207 1.743 10 0 ADAERN CCc1cnc(-c2nc[nH]n2)s1 61844378 343365370 /nfs/dbraw/zinc/36/53/70/343365370.db2.gz BZHBQENYZXKXOX-UHFFFAOYSA-N 0 0 180.236 1.491 10 0 ADAERN CCc1csc(-c2nc[nH]n2)n1 61844373 343365371 /nfs/dbraw/zinc/36/53/71/343365371.db2.gz OPRQKCKXVGTCGM-UHFFFAOYSA-N 0 0 180.236 1.491 10 0 ADAERN CCCCNc1nccc(C)n1 61858835 343365605 /nfs/dbraw/zinc/36/56/05/343365605.db2.gz FIWBMWDSMYHWSU-UHFFFAOYSA-N 0 0 165.240 1.997 10 0 ADAERN Cc1ccnc(N[C@@H](C)C2CC2)n1 61858984 343365674 /nfs/dbraw/zinc/36/56/74/343365674.db2.gz DLNZLFPHXGZTBA-QMMMGPOBSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccnc(NCc2cn[nH]c2)n1 61859079 343365739 /nfs/dbraw/zinc/36/57/39/343365739.db2.gz RQTWHRPMSJETKI-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1ccnc(N[C@@H]2CC2(C)C)n1 61859407 343365749 /nfs/dbraw/zinc/36/57/49/343365749.db2.gz BBWJMXTXUXDHCK-MRVPVSSYSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccnc(N[C@H]2C[C@@H]2C)n1 61859487 343365753 /nfs/dbraw/zinc/36/57/53/343365753.db2.gz SZRNEFFTZYOPKR-XPUUQOCRSA-N 0 0 163.224 1.605 10 0 ADAERN Cc1c(N)cccc1-c1nc[nH]n1 61857417 343365793 /nfs/dbraw/zinc/36/57/93/343365793.db2.gz HPGACEKFPIRRKO-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1nc(-c2cccc(N)c2C)n[nH]1 61857399 343365795 /nfs/dbraw/zinc/36/57/95/343365795.db2.gz NLZYGMFMKMIASO-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CCc1csc(-n2cc(N)cn2)n1 61894998 343366587 /nfs/dbraw/zinc/36/65/87/343366587.db2.gz AXXHQVRURBZPCF-UHFFFAOYSA-N 0 0 194.263 1.473 10 0 ADAERN CCc1csc(-n2ccc(N)n2)n1 61895001 343366639 /nfs/dbraw/zinc/36/66/39/343366639.db2.gz WTNWDNWZIFGOSG-UHFFFAOYSA-N 0 0 194.263 1.473 10 0 ADAERN O[C@@H](CC1CCOCC1)C(F)(F)F 61893868 343366705 /nfs/dbraw/zinc/36/67/05/343366705.db2.gz DUXQTLYIHHXJLP-ZETCQYMHSA-N 0 0 198.184 1.726 10 0 ADAERN C[C@H](Cc1ccc(F)cc1)NC#N 62052610 343369999 /nfs/dbraw/zinc/36/99/99/343369999.db2.gz GBTGSHIAHSKLAW-MRVPVSSYSA-N 0 0 178.210 1.827 10 0 ADAERN Cc1ccc(CN2CCC(=O)C2)cn1 62053385 343370109 /nfs/dbraw/zinc/37/01/09/343370109.db2.gz UKYQAWGRLBYDHL-UHFFFAOYSA-N 0 0 190.246 1.165 10 0 ADAERN OCCCCSC1CCOCC1 62055039 343370189 /nfs/dbraw/zinc/37/01/89/343370189.db2.gz OXCXTGXTRVUSSS-UHFFFAOYSA-N 0 0 190.308 1.671 10 0 ADAERN CC(C)CNC(=O)N1CCCCC1 62064069 343370264 /nfs/dbraw/zinc/37/02/64/343370264.db2.gz FAKNDHYETOGYIH-UHFFFAOYSA-N 0 0 184.283 1.838 10 0 ADAERN COC(=O)CSC1CCOCC1 62053401 343370298 /nfs/dbraw/zinc/37/02/98/343370298.db2.gz ZFKAAECERVHMNT-UHFFFAOYSA-N 0 0 190.264 1.072 10 0 ADAERN C[C@@H](Cc1ccc(F)cc1)NC#N 62052609 343370324 /nfs/dbraw/zinc/37/03/24/343370324.db2.gz GBTGSHIAHSKLAW-QMMMGPOBSA-N 0 0 178.210 1.827 10 0 ADAERN OCCCSC1CCOCC1 62055041 343370411 /nfs/dbraw/zinc/37/04/11/343370411.db2.gz JLHXBLYFXHECDJ-UHFFFAOYSA-N 0 0 176.281 1.281 10 0 ADAERN COc1cc(Cn2cccc2)ccn1 62073829 343370716 /nfs/dbraw/zinc/37/07/16/343370716.db2.gz BLBMXLBAJGBXGL-UHFFFAOYSA-N 0 0 188.230 1.940 10 0 ADAERN Cn1cc(NCc2ccoc2)cn1 62103225 343370833 /nfs/dbraw/zinc/37/08/33/343370833.db2.gz QBQMPDPZOQKKOU-UHFFFAOYSA-N 0 0 177.207 1.625 10 0 ADAERN CCOC[C@@H]1CCCN(C(=O)CC)C1 62108238 343371152 /nfs/dbraw/zinc/37/11/52/343371152.db2.gz BZFWXQXECNECET-SNVBAGLBSA-N 0 0 199.294 1.672 10 0 ADAERN CCOC[C@H]1CCCN(C(=O)CC)C1 62108237 343371437 /nfs/dbraw/zinc/37/14/37/343371437.db2.gz BZFWXQXECNECET-JTQLQIEISA-N 0 0 199.294 1.672 10 0 ADAERN C[C@H](N)c1nnc(C(F)(F)F)o1 62152442 343371627 /nfs/dbraw/zinc/37/16/27/343371627.db2.gz LVHOUHBLHUTCGG-REOHCLBHSA-N 0 0 181.117 1.108 10 0 ADAERN O[C@@H](Cc1ccccc1)[C@@H]1CCOC1 62142674 343371638 /nfs/dbraw/zinc/37/16/38/343371638.db2.gz TUCROMSNWMWUGK-NEPJUHHUSA-N 0 0 192.258 1.627 10 0 ADAERN Cc1cc(C)c2[nH]c(=O)[nH]c2c1 62152719 343371699 /nfs/dbraw/zinc/37/16/99/343371699.db2.gz QQTGMHTWSCFCRJ-UHFFFAOYSA-N 0 0 162.192 1.473 10 0 ADAERN O[C@H](Cc1ccccc1)[C@@H]1CCOC1 62142676 343371750 /nfs/dbraw/zinc/37/17/50/343371750.db2.gz TUCROMSNWMWUGK-VXGBXAGGSA-N 0 0 192.258 1.627 10 0 ADAERN O[C@@H](Cc1ccccc1)[C@H]1CCOC1 62142679 343371793 /nfs/dbraw/zinc/37/17/93/343371793.db2.gz TUCROMSNWMWUGK-RYUDHWBXSA-N 0 0 192.258 1.627 10 0 ADAERN O[C@H](Cc1ccccc1)[C@H]1CCOC1 62142681 343371980 /nfs/dbraw/zinc/37/19/80/343371980.db2.gz TUCROMSNWMWUGK-NWDGAFQWSA-N 0 0 192.258 1.627 10 0 ADAERN CONC(=O)c1ccc(F)cc1 62139244 343372028 /nfs/dbraw/zinc/37/20/28/343372028.db2.gz CAOXVPFVHMYRLK-UHFFFAOYSA-N 0 0 169.155 1.117 10 0 ADAERN C[C@@H](Cc1ccccc1)NC#N 62186148 343372238 /nfs/dbraw/zinc/37/22/38/343372238.db2.gz FWMVMAKOXMAXNA-VIFPVBQESA-N 0 0 160.220 1.688 10 0 ADAERN CONC(=O)c1cccc(C)c1 62187925 343372404 /nfs/dbraw/zinc/37/24/04/343372404.db2.gz DJEJUDOJRWJJCF-UHFFFAOYSA-N 0 0 165.192 1.286 10 0 ADAERN C[C@H](Cc1ccccc1)NC#N 62186151 343372435 /nfs/dbraw/zinc/37/24/35/343372435.db2.gz FWMVMAKOXMAXNA-SECBINFHSA-N 0 0 160.220 1.688 10 0 ADAERN CONC(=O)c1ccccc1F 62187930 343372476 /nfs/dbraw/zinc/37/24/76/343372476.db2.gz ALRUHJZBMXZZKP-UHFFFAOYSA-N 0 0 169.155 1.117 10 0 ADAERN Cc1c([C@@H]2CCCOC2)noc1N 62238146 343372668 /nfs/dbraw/zinc/37/26/68/343372668.db2.gz PEXLSCMNPOHDAB-SSDOTTSWSA-N 0 0 182.223 1.459 10 0 ADAERN O[C@@H](C1=CCCC1)[C@@H]1CCCOC1 62240262 343372698 /nfs/dbraw/zinc/37/26/98/343372698.db2.gz WAGOVQBUAMSSIP-MNOVXSKESA-N 0 0 182.263 1.884 10 0 ADAERN CCc1nnc([C@@H]2CCCOC2)[nH]1 62238469 343372713 /nfs/dbraw/zinc/37/27/13/343372713.db2.gz RFYMQHCJVVCBMT-SSDOTTSWSA-N 0 0 181.239 1.261 10 0 ADAERN C1COC[C@H](c2nnc(C3CC3)[nH]2)C1 62238496 343372794 /nfs/dbraw/zinc/37/27/94/343372794.db2.gz XBXNECHLVPCEFQ-MRVPVSSYSA-N 0 0 193.250 1.576 10 0 ADAERN CCc1c([C@H]2CCCOC2)noc1N 62238190 343372840 /nfs/dbraw/zinc/37/28/40/343372840.db2.gz WAPGQGAQODCLOP-ZETCQYMHSA-N 0 0 196.250 1.713 10 0 ADAERN Cc1nnc([C@H]2CCCOC2)[nH]1 62238466 343372853 /nfs/dbraw/zinc/37/28/53/343372853.db2.gz BWCZTWVQIUUJFC-ZETCQYMHSA-N 0 0 167.212 1.007 10 0 ADAERN CCc1nnc([C@H]2CCCOC2)[nH]1 62238471 343372875 /nfs/dbraw/zinc/37/28/75/343372875.db2.gz RFYMQHCJVVCBMT-ZETCQYMHSA-N 0 0 181.239 1.261 10 0 ADAERN O=C(c1ccco1)[C@@H]1CCCOC1 62229707 343372977 /nfs/dbraw/zinc/37/29/77/343372977.db2.gz WOCGVZFLAIXUJA-MRVPVSSYSA-N 0 0 180.203 1.889 10 0 ADAERN O=C(c1ccco1)[C@H]1CCCOC1 62229708 343372897 /nfs/dbraw/zinc/37/28/97/343372897.db2.gz WOCGVZFLAIXUJA-QMMMGPOBSA-N 0 0 180.203 1.889 10 0 ADAERN C1COC[C@@H](c2nnc(C3CC3)[nH]2)C1 62238492 343372907 /nfs/dbraw/zinc/37/29/07/343372907.db2.gz XBXNECHLVPCEFQ-QMMMGPOBSA-N 0 0 193.250 1.576 10 0 ADAERN Cc1nnc([C@@H]2CCCOC2)[nH]1 62238463 343372925 /nfs/dbraw/zinc/37/29/25/343372925.db2.gz BWCZTWVQIUUJFC-SSDOTTSWSA-N 0 0 167.212 1.007 10 0 ADAERN CC(C)c1nnc([C@@H]2CCCOC2)[nH]1 62238475 343372939 /nfs/dbraw/zinc/37/29/39/343372939.db2.gz SNMHUCKQJLYPFI-MRVPVSSYSA-N 0 0 195.266 1.822 10 0 ADAERN O[C@H](C1=CCCC1)[C@@H]1CCCOC1 62240264 343372975 /nfs/dbraw/zinc/37/29/75/343372975.db2.gz WAGOVQBUAMSSIP-GHMZBOCLSA-N 0 0 182.263 1.884 10 0 ADAERN C[C@H](O)c1ccc2c(c1)COC2 62334797 343373288 /nfs/dbraw/zinc/37/32/88/343373288.db2.gz CJWDCKMVJZTUHG-ZETCQYMHSA-N 0 0 164.204 1.770 10 0 ADAERN CCn1nncc1-c1cccc(N)c1 62297892 343373449 /nfs/dbraw/zinc/37/34/49/343373449.db2.gz RHXGLEDYANJUHP-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)COC2 62334798 343373471 /nfs/dbraw/zinc/37/34/71/343373471.db2.gz CJWDCKMVJZTUHG-SSDOTTSWSA-N 0 0 164.204 1.770 10 0 ADAERN CCOc1ccc2[nH]c(=O)ccc2c1 62323057 343373484 /nfs/dbraw/zinc/37/34/84/343373484.db2.gz QFZJKDUIXHVXCD-UHFFFAOYSA-N 0 0 189.214 1.927 10 0 ADAERN CC(=O)c1nc2ccc(F)cc2n1C 62365680 343373691 /nfs/dbraw/zinc/37/36/91/343373691.db2.gz MPPNZOZEBFXXQB-UHFFFAOYSA-N 0 0 192.193 1.915 10 0 ADAERN C[C@@H](O)c1nc2c(F)cccc2n1C 62365820 343373713 /nfs/dbraw/zinc/37/37/13/343373713.db2.gz QZCUIZBPAVPCTK-ZCFIWIBFSA-N 0 0 194.209 1.766 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncnc(Cl)c1N 62364444 343373723 /nfs/dbraw/zinc/37/37/23/343373723.db2.gz CLFDZRJKUDQQAM-WHFBIAKZSA-N 0 0 198.657 1.533 10 0 ADAERN O=C(c1cscn1)c1ccco1 62354672 343373728 /nfs/dbraw/zinc/37/37/28/343373728.db2.gz OZUPKGHLNQAPQF-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN CC[C@H](C)n1ncc2c(N)ncnc21 62367242 343373733 /nfs/dbraw/zinc/37/37/33/343373733.db2.gz LFUUCJLUWGGIKX-LURJTMIESA-N 0 0 191.238 1.380 10 0 ADAERN C[C@@H](O)c1nc2ccc(F)cc2n1C 62365909 343373740 /nfs/dbraw/zinc/37/37/40/343373740.db2.gz FSKUVOKYYOIUMG-ZCFIWIBFSA-N 0 0 194.209 1.766 10 0 ADAERN OC1(c2cscn2)CC1 62362235 343373757 /nfs/dbraw/zinc/37/37/57/343373757.db2.gz OAPWZCKKMHOCLZ-UHFFFAOYSA-N 0 0 141.195 1.125 10 0 ADAERN Cc1nnc(-c2cscn2)[nH]1 62357928 343373769 /nfs/dbraw/zinc/37/37/69/343373769.db2.gz ZKRSKLFYVCNNGA-UHFFFAOYSA-N 0 0 166.209 1.237 10 0 ADAERN C[C@H](O)c1nc2ccc(F)cc2n1C 62365904 343373789 /nfs/dbraw/zinc/37/37/89/343373789.db2.gz FSKUVOKYYOIUMG-LURJTMIESA-N 0 0 194.209 1.766 10 0 ADAERN C[C@H](N)c1nnc(-c2cscn2)o1 62362085 343373858 /nfs/dbraw/zinc/37/38/58/343373858.db2.gz MVYHABWARJGELN-BYPYZUCNSA-N 0 0 196.235 1.213 10 0 ADAERN Cc1cc(N)cc(-c2ncno2)c1C 62349379 343373895 /nfs/dbraw/zinc/37/38/95/343373895.db2.gz VBECIUDXLARARE-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cn1ccnc1C(=O)c1cscn1 62361777 343373901 /nfs/dbraw/zinc/37/39/01/343373901.db2.gz YNZLSGGTPXFQBI-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CC(C)Cn1ncc2c(N)ncnc21 62366919 343373941 /nfs/dbraw/zinc/37/39/41/343373941.db2.gz YYGJXQRWWRQAGA-UHFFFAOYSA-N 0 0 191.238 1.065 10 0 ADAERN S=C1N=NC(c2cscn2)O1 62357792 343373945 /nfs/dbraw/zinc/37/39/45/343373945.db2.gz LBQBZJDAHCXURY-UHFFFAOYSA-N 0 0 185.233 1.482 10 0 ADAERN CN(c1ncnc(Cl)c1N)C1CC1 62362578 343373987 /nfs/dbraw/zinc/37/39/87/343373987.db2.gz PASFFKZZWPUVOD-UHFFFAOYSA-N 0 0 198.657 1.311 10 0 ADAERN CC(=O)c1nc2cc(F)ccc2n1C 62365623 343374017 /nfs/dbraw/zinc/37/40/17/343374017.db2.gz FUTRDAZAUFJESO-UHFFFAOYSA-N 0 0 192.193 1.915 10 0 ADAERN C[C@H](O)c1nc2c(F)cccc2[nH]1 62365721 343374018 /nfs/dbraw/zinc/37/40/18/343374018.db2.gz COJXCIJVKLXPLL-YFKPBYRVSA-N 0 0 180.182 1.755 10 0 ADAERN c1nc(-c2n[nH]c(C3CC3)n2)cs1 62357944 343374021 /nfs/dbraw/zinc/37/40/21/343374021.db2.gz PZZLFYIWOFKEBE-UHFFFAOYSA-N 0 0 192.247 1.806 10 0 ADAERN C[C@H](O)c1nc2c(F)cccc2n1C 62365816 343374026 /nfs/dbraw/zinc/37/40/26/343374026.db2.gz QZCUIZBPAVPCTK-LURJTMIESA-N 0 0 194.209 1.766 10 0 ADAERN S=c1[nH]nc(-c2cscn2)[nH]1 62357991 343374038 /nfs/dbraw/zinc/37/40/38/343374038.db2.gz CNEGDBOROWWSSC-UHFFFAOYSA-N 0 0 184.249 1.217 10 0 ADAERN CCc1nnc(-c2cscn2)[nH]1 62357930 343374070 /nfs/dbraw/zinc/37/40/70/343374070.db2.gz ZMGUPNXQBHNTDX-UHFFFAOYSA-N 0 0 180.236 1.491 10 0 ADAERN Cc1ccc2c(c1)NC(=O)CCO2 62519577 343374206 /nfs/dbraw/zinc/37/42/06/343374206.db2.gz JGMDSZNMPYOGAO-UHFFFAOYSA-N 0 0 177.203 1.716 10 0 ADAERN Cc1cc(Cl)cc2c1OCC(=O)N2 62522209 343374217 /nfs/dbraw/zinc/37/42/17/343374217.db2.gz IJLYDTGNZNGMAE-UHFFFAOYSA-N 0 0 197.621 1.979 10 0 ADAERN CCc1ccc2c(c1)NC(=O)CCO2 62520990 343374309 /nfs/dbraw/zinc/37/43/09/343374309.db2.gz YGJITMFOPNATIG-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN Cc1cc(N)cc2ncoc12 62498458 343374367 /nfs/dbraw/zinc/37/43/67/343374367.db2.gz PSTZGPZNRMJHFX-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN Cc1cc(C)c2oc(CN)nc2c1 62519459 343374412 /nfs/dbraw/zinc/37/44/12/343374412.db2.gz CMOJTDUWPJOXBA-UHFFFAOYSA-N 0 0 176.219 1.903 10 0 ADAERN CCc1ccc2oc(CN)nc2c1 62498615 343374420 /nfs/dbraw/zinc/37/44/20/343374420.db2.gz WPTJXMTVFKWQIM-UHFFFAOYSA-N 0 0 176.219 1.849 10 0 ADAERN Cc1c(C(C)C)nc2n1CCNC2 62605473 343376667 /nfs/dbraw/zinc/37/66/67/343376667.db2.gz YDXBTLVZZQSIKJ-UHFFFAOYSA-N 0 0 179.267 1.418 10 0 ADAERN Cc1nc(C(=O)NC2CC2)cs1 62617834 343376762 /nfs/dbraw/zinc/37/67/62/343376762.db2.gz ZISQOILYKZBNLJ-UHFFFAOYSA-N 0 0 182.248 1.344 10 0 ADAERN Cc1nc(C(=O)NC(C)(C)C)cs1 62634165 343376765 /nfs/dbraw/zinc/37/67/65/343376765.db2.gz UZZZENQEVPOHFX-UHFFFAOYSA-N 0 0 198.291 1.980 10 0 ADAERN Cc1nc(C(=O)N2CCCC2)cs1 62618422 343376843 /nfs/dbraw/zinc/37/68/43/343376843.db2.gz ZQRPVUQLLIOOFL-UHFFFAOYSA-N 0 0 196.275 1.688 10 0 ADAERN C1Cc2[nH]nc(NC3CC3)c2C1 62669028 343377250 /nfs/dbraw/zinc/37/72/50/343377250.db2.gz LQISJHKYYFZGAG-UHFFFAOYSA-N 0 0 163.224 1.473 10 0 ADAERN CC[C@@H](C)NC(=O)c1csc(C)n1 62618312 343376893 /nfs/dbraw/zinc/37/68/93/343376893.db2.gz QIIXNMPYHBHUKF-ZCFIWIBFSA-N 0 0 198.291 1.980 10 0 ADAERN Cc1nc(C(=O)NC(C)C)cs1 62617728 343376933 /nfs/dbraw/zinc/37/69/33/343376933.db2.gz CFLALNIODCZYNN-UHFFFAOYSA-N 0 0 184.264 1.590 10 0 ADAERN Cc1nc(C(=O)NCC(C)C)cs1 62618155 343377010 /nfs/dbraw/zinc/37/70/10/343377010.db2.gz INAHFPJVCRJBLK-UHFFFAOYSA-N 0 0 198.291 1.837 10 0 ADAERN CCCNC(=O)c1csc(C)n1 62617632 343377050 /nfs/dbraw/zinc/37/70/50/343377050.db2.gz BNKRRDLCEDXAFV-UHFFFAOYSA-N 0 0 184.264 1.591 10 0 ADAERN CC[C@H](C)NC(=O)c1csc(C)n1 62618315 343377053 /nfs/dbraw/zinc/37/70/53/343377053.db2.gz QIIXNMPYHBHUKF-LURJTMIESA-N 0 0 198.291 1.980 10 0 ADAERN Cc1ccc(F)cc1-c1nc(N)n[nH]1 62665176 343377186 /nfs/dbraw/zinc/37/71/86/343377186.db2.gz AMGWDKWPCUEPAU-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CC[C@H](C)c1cc(NC)n[nH]1 62667679 343377259 /nfs/dbraw/zinc/37/72/59/343377259.db2.gz XYVNHYZGWYZWEP-LURJTMIESA-N 0 0 153.229 1.965 10 0 ADAERN CCc1[nH]nc(NC)c1C 62667734 343377269 /nfs/dbraw/zinc/37/72/69/343377269.db2.gz ORTSYMIDMCCIEP-UHFFFAOYSA-N 0 0 139.202 1.322 10 0 ADAERN Cc1[nH]nc(NC(C)C)c1C 62668720 343377402 /nfs/dbraw/zinc/37/74/02/343377402.db2.gz UWBQUXLZJTUMOH-UHFFFAOYSA-N 0 0 153.229 1.847 10 0 ADAERN Cc1cc(NC2CC2)n[nH]1 62668793 343377305 /nfs/dbraw/zinc/37/73/05/343377305.db2.gz LZIJHDGHXLOYQP-UHFFFAOYSA-N 0 0 137.186 1.292 10 0 ADAERN C1CCc2c(NC3CC3)n[nH]c2C1 62668965 343377321 /nfs/dbraw/zinc/37/73/21/343377321.db2.gz PTNYMBVHRFJOTO-UHFFFAOYSA-N 0 0 177.251 1.863 10 0 ADAERN CC(C)Nc1n[nH]c2c1COCC2 62668710 343377326 /nfs/dbraw/zinc/37/73/26/343377326.db2.gz SJUZXPOUDSOHPW-UHFFFAOYSA-N 0 0 181.239 1.303 10 0 ADAERN CCc1[nH]nc(NC2CC2)c1C 62669018 343377337 /nfs/dbraw/zinc/37/73/37/343377337.db2.gz LIJRPNVNFRAEKL-UHFFFAOYSA-N 0 0 165.240 1.855 10 0 ADAERN Cc1cc(NCC(C)C)n[nH]1 62669399 343377365 /nfs/dbraw/zinc/37/73/65/343377365.db2.gz AQEHGPKZQOGNKS-UHFFFAOYSA-N 0 0 153.229 1.786 10 0 ADAERN C1Cc2[nH]nc(NC3CC3)c2CO1 62669046 343377388 /nfs/dbraw/zinc/37/73/88/343377388.db2.gz UMCWWWRDXPZPRI-UHFFFAOYSA-N 0 0 179.223 1.057 10 0 ADAERN CC[C@H]1CCc2[nH]nc(NC)c2C1 62667724 343377390 /nfs/dbraw/zinc/37/73/90/343377390.db2.gz AYDREQSUHWDJJL-ZETCQYMHSA-N 0 0 179.267 1.966 10 0 ADAERN Cc1cc(NC(C)C)n[nH]1 62668447 343377423 /nfs/dbraw/zinc/37/74/23/343377423.db2.gz DXSJKTDBJQRKIL-UHFFFAOYSA-N 0 0 139.202 1.538 10 0 ADAERN CN(C)c1c(F)cc(C=O)cc1F 62707051 343377730 /nfs/dbraw/zinc/37/77/30/343377730.db2.gz HLQASSOBGAJJPX-UHFFFAOYSA-N 0 0 185.173 1.843 10 0 ADAERN NNCc1cc(F)c(F)c(F)c1 62712861 343377856 /nfs/dbraw/zinc/37/78/56/343377856.db2.gz UEILFFYJCJOLDY-UHFFFAOYSA-N 0 0 176.141 1.067 10 0 ADAERN CN(C#N)c1ccc(O)cc1 62715590 343378263 /nfs/dbraw/zinc/37/82/63/343378263.db2.gz YNHYPVNROSWQTK-UHFFFAOYSA-N 0 0 148.165 1.309 10 0 ADAERN Cc1ccc(N(C)C)c(CO)c1 62718178 343378367 /nfs/dbraw/zinc/37/83/67/343378367.db2.gz JTLLWEMWTWRYEH-UHFFFAOYSA-N 0 0 165.236 1.553 10 0 ADAERN CCCC(=O)CC(OC)OC 62715951 343378437 /nfs/dbraw/zinc/37/84/37/343378437.db2.gz XYTVDWGJQJKKQG-UHFFFAOYSA-N 0 0 160.213 1.365 10 0 ADAERN CN(C)c1c(F)cc(CO)cc1F 62721884 343378693 /nfs/dbraw/zinc/37/86/93/343378693.db2.gz LEVDTQLHQJSTCN-UHFFFAOYSA-N 0 0 187.189 1.523 10 0 ADAERN Cc1c(N)cccc1NCCCO 62724559 343378670 /nfs/dbraw/zinc/37/86/70/343378670.db2.gz HTFHADMCTZQIIY-UHFFFAOYSA-N 0 0 180.251 1.372 10 0 ADAERN CCC(=O)Nc1ccncc1N 62725667 343378676 /nfs/dbraw/zinc/37/86/76/343378676.db2.gz UJQKJBDDZGDSIE-UHFFFAOYSA-N 0 0 165.196 1.012 10 0 ADAERN Cc1c(N)cccc1N(C)C[C@H](C)O 62725418 343378721 /nfs/dbraw/zinc/37/87/21/343378721.db2.gz YWAGPIPQTHIYBB-QMMMGPOBSA-N 0 0 194.278 1.394 10 0 ADAERN Cc1c(N)cccc1N[C@@H](C)CO 62724656 343378732 /nfs/dbraw/zinc/37/87/32/343378732.db2.gz OKPSCSJYAHGWGA-ZETCQYMHSA-N 0 0 180.251 1.370 10 0 ADAERN CC(C)CN1CC(=O)N(C(C)C)C1=O 62743612 343378735 /nfs/dbraw/zinc/37/87/35/343378735.db2.gz VZGRCPGWXIVHJX-UHFFFAOYSA-N 0 0 198.266 1.315 10 0 ADAERN CC(C)CN1CC(=O)N(C2CC2)C1=O 62743613 343378785 /nfs/dbraw/zinc/37/87/85/343378785.db2.gz WWZWMCVPAUQDMT-UHFFFAOYSA-N 0 0 196.250 1.069 10 0 ADAERN CCCNC(=O)Nc1ccncc1N 62726026 343378898 /nfs/dbraw/zinc/37/88/98/343378898.db2.gz FJYXFUICIPXHBA-UHFFFAOYSA-N 0 0 194.238 1.195 10 0 ADAERN Cc1c(N)cccc1N1CC[C@@H](O)C1 62725498 343378927 /nfs/dbraw/zinc/37/89/27/343378927.db2.gz NFYOVYQEPYCLPQ-SECBINFHSA-N 0 0 192.262 1.148 10 0 ADAERN Cc1c(N)cccc1N[C@H](C)CO 62724657 343378943 /nfs/dbraw/zinc/37/89/43/343378943.db2.gz OKPSCSJYAHGWGA-SSDOTTSWSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1c(N)cccc1N(C)CCO 62724560 343378946 /nfs/dbraw/zinc/37/89/46/343378946.db2.gz YSDMDZVXIMVJCR-UHFFFAOYSA-N 0 0 180.251 1.006 10 0 ADAERN Cc1c(N)cccc1NC(C)(C)CO 62724651 343378953 /nfs/dbraw/zinc/37/89/53/343378953.db2.gz LDOBHUOAZQFSDD-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1c(N)cccc1NC[C@H](C)O 62724655 343378956 /nfs/dbraw/zinc/37/89/56/343378956.db2.gz RJMYPPVARRXYOB-ZETCQYMHSA-N 0 0 180.251 1.370 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Nc1ccncc1N 62725691 343378960 /nfs/dbraw/zinc/37/89/60/343378960.db2.gz OJZSXBHCRRUBHV-BQBZGAKWSA-N 0 0 191.234 1.258 10 0 ADAERN C[C@@H](O)c1ccc(F)cc1O 62749050 343378970 /nfs/dbraw/zinc/37/89/70/343378970.db2.gz KPLOHARQMZCVAO-RXMQYKEDSA-N 0 0 156.156 1.585 10 0 ADAERN C[C@H](O)c1ccc(F)cc1O 62749049 343379004 /nfs/dbraw/zinc/37/90/04/343379004.db2.gz KPLOHARQMZCVAO-YFKPBYRVSA-N 0 0 156.156 1.585 10 0 ADAERN CC(C)NC(=O)Nc1ccncc1N 62726022 343379020 /nfs/dbraw/zinc/37/90/20/343379020.db2.gz DAYFCUDHYRGAFE-UHFFFAOYSA-N 0 0 194.238 1.194 10 0 ADAERN Cc1c(N)cccc1NC[C@@H](C)O 62724654 343379034 /nfs/dbraw/zinc/37/90/34/343379034.db2.gz RJMYPPVARRXYOB-SSDOTTSWSA-N 0 0 180.251 1.370 10 0 ADAERN CCCC(=O)Nc1ccncc1N 62725741 343379037 /nfs/dbraw/zinc/37/90/37/343379037.db2.gz WZNRZAXXUJROGB-UHFFFAOYSA-N 0 0 179.223 1.402 10 0 ADAERN CC[C@@H]1CC[C@H](C(=O)[O-])[C@H]([NH+](C)C)C1 62749855 343379169 /nfs/dbraw/zinc/37/91/69/343379169.db2.gz LYGXEAVSXJJDMF-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1C(=O)[O-] 62750813 343379181 /nfs/dbraw/zinc/37/91/81/343379181.db2.gz DPCGEFHTJZHFQZ-UWVGGRQHSA-N 0 0 199.294 1.970 10 0 ADAERN C[N@H+](C1CC1)[C@H]1CCCC[C@@H]1C(=O)[O-] 62751202 343379238 /nfs/dbraw/zinc/37/92/38/343379238.db2.gz FUSCOEGAORRETH-UWVGGRQHSA-N 0 0 197.278 1.724 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CCC[C@@H]1C(=O)[O-] 62750811 343379246 /nfs/dbraw/zinc/37/92/46/343379246.db2.gz NOXYWYQBEDPZPR-IUCAKERBSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@H](Cc1ccco1)n1nccc1N 62772184 343379318 /nfs/dbraw/zinc/37/93/18/343379318.db2.gz KLKSDLKJTBGPHW-MRVPVSSYSA-N 0 0 191.234 1.862 10 0 ADAERN C[NH+](C)[C@@H]1CCCCC[C@H]1C(=O)[O-] 62749849 343379339 /nfs/dbraw/zinc/37/93/39/343379339.db2.gz KGAHMZJDPMPLMU-RKDXNWHRSA-N 0 0 185.267 1.582 10 0 ADAERN C[NH+](C)[C@@H]1CCCCC[C@@H]1C(=O)[O-] 62749847 343379341 /nfs/dbraw/zinc/37/93/41/343379341.db2.gz KGAHMZJDPMPLMU-DTWKUNHWSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CCC[C@@H]1C(=O)[O-] 62750810 343379367 /nfs/dbraw/zinc/37/93/67/343379367.db2.gz NOXYWYQBEDPZPR-DTWKUNHWSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([NH+](C)C)C1 62749857 343379384 /nfs/dbraw/zinc/37/93/84/343379384.db2.gz LYGXEAVSXJJDMF-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN C[NH+](C)[C@H]1CCCCC[C@@H]1C(=O)[O-] 62749848 343379448 /nfs/dbraw/zinc/37/94/48/343379448.db2.gz KGAHMZJDPMPLMU-IUCAKERBSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)[O-])[C@H]([NH+](C)C)C1 62749851 343379465 /nfs/dbraw/zinc/37/94/65/343379465.db2.gz TXAZZNFSBMYONJ-HRDYMLBCSA-N 0 0 185.267 1.437 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1C(=O)[O-] 62750812 343379500 /nfs/dbraw/zinc/37/95/00/343379500.db2.gz DPCGEFHTJZHFQZ-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)[O-])[C@H]([NH+](C)C)C1 62749853 343379505 /nfs/dbraw/zinc/37/95/05/343379505.db2.gz TXAZZNFSBMYONJ-IWSPIJDZSA-N 0 0 185.267 1.437 10 0 ADAERN O[C@H](C1=CCCCC1)c1cn[nH]c1 62778736 343379607 /nfs/dbraw/zinc/37/96/07/343379607.db2.gz RUBNTABHGPVPOE-SNVBAGLBSA-N 0 0 178.235 1.944 10 0 ADAERN c1cnc2[nH]c(-c3cn[nH]c3)nc2c1 62778034 343379687 /nfs/dbraw/zinc/37/96/87/343379687.db2.gz CDMPTHUNADCOJN-UHFFFAOYSA-N 0 0 185.190 1.348 10 0 ADAERN c1cc(-c2n[nH]c(C3CC3)n2)n[nH]1 62778004 343379690 /nfs/dbraw/zinc/37/96/90/343379690.db2.gz SVQAQYAYLNZGKK-UHFFFAOYSA-N 0 0 175.195 1.072 10 0 ADAERN CC(C)c1nnc(-c2cn[nH]c2)[nH]1 62777999 343379735 /nfs/dbraw/zinc/37/97/35/343379735.db2.gz XWXRYOJTDGDYMN-UHFFFAOYSA-N 0 0 177.211 1.318 10 0 ADAERN O=C(c1cn[nH]c1)c1ccco1 62775706 343379767 /nfs/dbraw/zinc/37/97/67/343379767.db2.gz KBQXGXLCRHFDEW-UHFFFAOYSA-N 0 0 162.148 1.234 10 0 ADAERN O[C@@H](C1=CCCCC1)c1cn[nH]c1 62778737 343379778 /nfs/dbraw/zinc/37/97/78/343379778.db2.gz RUBNTABHGPVPOE-JTQLQIEISA-N 0 0 178.235 1.944 10 0 ADAERN CCc1c(-c2cn[nH]c2)noc1N 62777901 343379827 /nfs/dbraw/zinc/37/98/27/343379827.db2.gz HNLCGESLGCEIGH-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN CCCc1nc(-c2cn[nH]c2)n[nH]1 62778001 343379836 /nfs/dbraw/zinc/37/98/36/343379836.db2.gz OUOSQRJAWNDWIR-UHFFFAOYSA-N 0 0 177.211 1.147 10 0 ADAERN CC(C)c1nc(-c2cc[nH]n2)n[nH]1 62778000 343379840 /nfs/dbraw/zinc/37/98/40/343379840.db2.gz SZJDDWSHVOCHJZ-UHFFFAOYSA-N 0 0 177.211 1.318 10 0 ADAERN c1cnc2[nH]c(-c3cc[nH]n3)nc2c1 62778035 343379879 /nfs/dbraw/zinc/37/98/79/343379879.db2.gz KOAMPJFDZLQEHV-UHFFFAOYSA-N 0 0 185.190 1.348 10 0 ADAERN CCc1c(-c2cc[nH]n2)noc1N 62777902 343379904 /nfs/dbraw/zinc/37/99/04/343379904.db2.gz RLAXQWORZVZWKX-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN NC(=S)c1ccc(Cl)cc1O 62788693 343380085 /nfs/dbraw/zinc/38/00/85/343380085.db2.gz HTVDNLSBESFAFN-UHFFFAOYSA-N 0 0 187.651 1.680 10 0 ADAERN CNC(=O)c1ccc(C)c(NC)c1 62796872 343380120 /nfs/dbraw/zinc/38/01/20/343380120.db2.gz DPEKMAQNOILXPT-UHFFFAOYSA-N 0 0 178.235 1.396 10 0 ADAERN CCCn1cc(NC)ccc1=O 62796564 343380234 /nfs/dbraw/zinc/38/02/34/343380234.db2.gz SKXDHYIWRAHANY-UHFFFAOYSA-N 0 0 166.224 1.300 10 0 ADAERN CCOc1ccc2c(c1)OC[C@@H]2O 62805917 343380420 /nfs/dbraw/zinc/38/04/20/343380420.db2.gz UMPSJMIXAJNOEB-VIFPVBQESA-N 0 0 180.203 1.511 10 0 ADAERN CCOc1ccc2c(c1)OC[C@H]2O 62805918 343380571 /nfs/dbraw/zinc/38/05/71/343380571.db2.gz UMPSJMIXAJNOEB-SECBINFHSA-N 0 0 180.203 1.511 10 0 ADAERN OCCOc1cccc2c1CC[C@H]2O 62800629 343380576 /nfs/dbraw/zinc/38/05/76/343380576.db2.gz HEEDSBKCPMLPPT-SNVBAGLBSA-N 0 0 194.230 1.037 10 0 ADAERN OCCOc1cccc2c1CC[C@@H]2O 62800628 343380623 /nfs/dbraw/zinc/38/06/23/343380623.db2.gz HEEDSBKCPMLPPT-JTQLQIEISA-N 0 0 194.230 1.037 10 0 ADAERN C[C@@H]1CC(=O)N(CC(=O)C(C)(C)C)C1 62816887 343381994 /nfs/dbraw/zinc/38/19/94/343381994.db2.gz LGZDADYODAWFRE-MRVPVSSYSA-N 0 0 197.278 1.470 10 0 ADAERN OCc1c[nH]c(-c2ccsc2)n1 62820485 343381806 /nfs/dbraw/zinc/38/18/06/343381806.db2.gz GWRMUTQGVXMZRG-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN OCc1c[nH]c(C2CCCCC2)n1 62820460 343381860 /nfs/dbraw/zinc/38/18/60/343381860.db2.gz GXCUSWOFIBOJJA-UHFFFAOYSA-N 0 0 180.251 1.950 10 0 ADAERN C[C@H]1CC(=O)N(CC(=O)C(C)(C)C)C1 62816888 343381902 /nfs/dbraw/zinc/38/19/02/343381902.db2.gz LGZDADYODAWFRE-QMMMGPOBSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)Cc1nc(CO)c[nH]1 62820463 343381907 /nfs/dbraw/zinc/38/19/07/343381907.db2.gz BENRMTXTLRXKLN-UHFFFAOYSA-N 0 0 154.213 1.101 10 0 ADAERN OCc1c[nH]c(-c2cccs2)n1 62820466 343381948 /nfs/dbraw/zinc/38/19/48/343381948.db2.gz FGRPHVXDARXGTQ-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN CC(C)c1nc(CO)c[nH]1 62820464 343382018 /nfs/dbraw/zinc/38/20/18/343382018.db2.gz AEPFTHZCMJQKQN-UHFFFAOYSA-N 0 0 140.186 1.025 10 0 ADAERN OCc1c[nH]c(-c2ccco2)n1 62820491 343382087 /nfs/dbraw/zinc/38/20/87/343382087.db2.gz FLZJJVMUVCNWDI-UHFFFAOYSA-N 0 0 164.164 1.162 10 0 ADAERN Cc1ccsc1-c1nc(CO)c[nH]1 62820587 343382331 /nfs/dbraw/zinc/38/23/31/343382331.db2.gz BNJIFCALIXCHRS-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN Cc1cc(C)c2c(=O)oc(=O)[nH]c2c1 62821897 343382352 /nfs/dbraw/zinc/38/23/52/343382352.db2.gz KDTNQNHSMNVXOX-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN Cc1ccc(-c2nc(CO)c[nH]2)s1 62820570 343382389 /nfs/dbraw/zinc/38/23/89/343382389.db2.gz PUANJNPPAMNMEK-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN OCc1c[nH]c(-c2ccccc2O)n1 62820542 343382442 /nfs/dbraw/zinc/38/24/42/343382442.db2.gz GVZYUHNQNWLVKT-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN CON(C)C(=O)c1ccc(F)cc1N 62823219 343382462 /nfs/dbraw/zinc/38/24/62/343382462.db2.gz OZCLWRLQBYZTMS-UHFFFAOYSA-N 0 0 198.197 1.041 10 0 ADAERN CN(C)C(=O)c1ccc(F)cc1N 62822399 343382473 /nfs/dbraw/zinc/38/24/73/343382473.db2.gz PFUGBYFWOMQKLD-UHFFFAOYSA-N 0 0 182.198 1.110 10 0 ADAERN Cc1ccc(-c2nc(CO)c[nH]2)o1 62820582 343382515 /nfs/dbraw/zinc/38/25/15/343382515.db2.gz DFZTYHIISRXLQK-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN CCc1ccc(-c2nc(CO)c[nH]2)o1 62820622 343382519 /nfs/dbraw/zinc/38/25/19/343382519.db2.gz FIBVFSRRZAAOJQ-UHFFFAOYSA-N 0 0 192.218 1.724 10 0 ADAERN OCc1c[nH]c(CC(F)(F)F)n1 62820535 343382556 /nfs/dbraw/zinc/38/25/56/343382556.db2.gz XQHFAHBXSOTDKT-UHFFFAOYSA-N 0 0 180.129 1.007 10 0 ADAERN CC[C@H](C)c1nc(CO)c[nH]1 62820624 343382685 /nfs/dbraw/zinc/38/26/85/343382685.db2.gz CINRNUUEXPKGSC-LURJTMIESA-N 0 0 154.213 1.416 10 0 ADAERN CCc1cccc2c(=O)oc(=O)[nH]c12 62821919 343382717 /nfs/dbraw/zinc/38/27/17/343382717.db2.gz UVRRMTJQRJRNAR-UHFFFAOYSA-N 0 0 191.186 1.044 10 0 ADAERN CC[C@@H](C)c1nc(CO)c[nH]1 62820623 343382772 /nfs/dbraw/zinc/38/27/72/343382772.db2.gz CINRNUUEXPKGSC-ZCFIWIBFSA-N 0 0 154.213 1.416 10 0 ADAERN Cc1cc(C)c(N)c(-c2nc[nH]n2)c1 62825956 343382852 /nfs/dbraw/zinc/38/28/52/343382852.db2.gz PDLLVPFXQGRSBN-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CNC(=O)c1c[nH]c2ccc(N)cc12 62832252 343383048 /nfs/dbraw/zinc/38/30/48/343383048.db2.gz FIRIUSRYZZDNBW-UHFFFAOYSA-N 0 0 189.218 1.110 10 0 ADAERN C=CS(=O)(=O)CC1CCCC1 62835540 343383149 /nfs/dbraw/zinc/38/31/49/343383149.db2.gz AZWFCGMKKBQGBF-UHFFFAOYSA-N 0 0 174.265 1.735 10 0 ADAERN CCC1(C(=O)[O-])CC[NH+](C(C)C)CC1 62846584 343383545 /nfs/dbraw/zinc/38/35/45/343383545.db2.gz BGZGGVFRXGMROJ-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN CCC[C@@]1(C(=O)[O-])CCC[N@H+](C)C1 62878086 343383881 /nfs/dbraw/zinc/38/38/81/343383881.db2.gz PMZQTCVRIOWCMZ-SNVBAGLBSA-N 0 0 185.267 1.583 10 0 ADAERN CCC[C@]1(C(=O)[O-])CCC[N@H+](C)C1 62878085 343384180 /nfs/dbraw/zinc/38/41/80/343384180.db2.gz PMZQTCVRIOWCMZ-JTQLQIEISA-N 0 0 185.267 1.583 10 0 ADAERN CC[C@@]1(C(=O)[O-])CCC[N@H+](C)C1 62877542 343384232 /nfs/dbraw/zinc/38/42/32/343384232.db2.gz HUECFKQAVLTYJY-SECBINFHSA-N 0 0 171.240 1.193 10 0 ADAERN CC[C@]1(C(=O)[O-])CCC[N@H+](C)C1 62877541 343384254 /nfs/dbraw/zinc/38/42/54/343384254.db2.gz HUECFKQAVLTYJY-VIFPVBQESA-N 0 0 171.240 1.193 10 0 ADAERN Cn1nnnc1NCC1CCCCC1 62938944 343385541 /nfs/dbraw/zinc/38/55/41/343385541.db2.gz OQQKETQRODWEKP-UHFFFAOYSA-N 0 0 195.270 1.202 10 0 ADAERN CC[C@]1(C(=O)[O-])CC[N@@H+](C(C)C)C1 62937195 343385664 /nfs/dbraw/zinc/38/56/64/343385664.db2.gz CBQCYUBNACSPOB-JTQLQIEISA-N 0 0 185.267 1.582 10 0 ADAERN CC[C@@]1(C(=O)[O-])CC[N@@H+](C(C)C)C1 62937196 343385734 /nfs/dbraw/zinc/38/57/34/343385734.db2.gz CBQCYUBNACSPOB-SNVBAGLBSA-N 0 0 185.267 1.582 10 0 ADAERN CCC[C@]1(C(=O)[O-])CC[N@H+](C)C1 62937975 343385780 /nfs/dbraw/zinc/38/57/80/343385780.db2.gz YDTTXTGKPAGBPU-VIFPVBQESA-N 0 0 171.240 1.193 10 0 ADAERN CC[N@@H+]1CC[C@](CC)(C(=O)[O-])C1 62936752 343385811 /nfs/dbraw/zinc/38/58/11/343385811.db2.gz YIGHEWLQRIDPHK-VIFPVBQESA-N 0 0 171.240 1.193 10 0 ADAERN CCC[C@@]1(C(=O)[O-])CC[N@H+](C)C1 62937976 343385817 /nfs/dbraw/zinc/38/58/17/343385817.db2.gz YDTTXTGKPAGBPU-SECBINFHSA-N 0 0 171.240 1.193 10 0 ADAERN CC[N@@H+]1CC[C@@](CC)(C(=O)[O-])C1 62936753 343385825 /nfs/dbraw/zinc/38/58/25/343385825.db2.gz YIGHEWLQRIDPHK-SECBINFHSA-N 0 0 171.240 1.193 10 0 ADAERN Cn1nnnc1NCCC1CCCC1 62939006 343385981 /nfs/dbraw/zinc/38/59/81/343385981.db2.gz ZIMAGDMHNGYQBH-UHFFFAOYSA-N 0 0 195.270 1.202 10 0 ADAERN CC[C@H](Nc1nnnn1C)C(C)C 62939140 343386040 /nfs/dbraw/zinc/38/60/40/343386040.db2.gz BIDVJWXISXRBCY-ZETCQYMHSA-N 0 0 183.259 1.057 10 0 ADAERN CC[C@@H](Nc1nnnn1C)C(C)C 62939141 343386235 /nfs/dbraw/zinc/38/62/35/343386235.db2.gz BIDVJWXISXRBCY-SSDOTTSWSA-N 0 0 183.259 1.057 10 0 ADAERN Cc1noc(-c2cncc(N)c2)n1 62947290 343386557 /nfs/dbraw/zinc/38/65/57/343386557.db2.gz LZHMWZYEUYTKFN-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCc1noc(-c2cncc(N)c2)n1 62947289 343386665 /nfs/dbraw/zinc/38/66/65/343386665.db2.gz OFJVHCDRLCMIAA-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN Nc1cncc(C(=O)OC2CCC2)c1 62947506 343387092 /nfs/dbraw/zinc/38/70/92/343387092.db2.gz YSYSRRIMBFHDDF-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN CC(C)OC(=O)c1cncc(N)c1 62947440 343387323 /nfs/dbraw/zinc/38/73/23/343387323.db2.gz CVJQBHBOMBDXEU-UHFFFAOYSA-N 0 0 180.207 1.229 10 0 ADAERN COC[C@H](O)c1ccc(C)nc1 62949615 343387531 /nfs/dbraw/zinc/38/75/31/343387531.db2.gz LHCNFCRBBCGCNS-VIFPVBQESA-N 0 0 167.208 1.070 10 0 ADAERN O=C1CC(C2CCCCC2)CC(=O)N1 62950856 343387539 /nfs/dbraw/zinc/38/75/39/343387539.db2.gz GLSJXSVKZMYLQG-UHFFFAOYSA-N 0 0 195.262 1.620 10 0 ADAERN COC[C@@H](O)c1ccc(C)nc1 62949614 343387541 /nfs/dbraw/zinc/38/75/41/343387541.db2.gz LHCNFCRBBCGCNS-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN Cc1ccc(C(=O)c2cnccn2)cn1 62949437 343387586 /nfs/dbraw/zinc/38/75/86/343387586.db2.gz ASEXRCYEFCUNLP-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN Cc1ccc(C(=O)C2CC2)cn1 62949434 343387623 /nfs/dbraw/zinc/38/76/23/343387623.db2.gz QLEIJZJQUKNNDY-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN CC1CCC2(CC1)CC(=O)NC(=O)C2 62950803 343387684 /nfs/dbraw/zinc/38/76/84/343387684.db2.gz NETPZPRPZLRVGI-UHFFFAOYSA-N 0 0 195.262 1.620 10 0 ADAERN O=C1CC([C@@H]2CC=CCC2)CC(=O)N1 62950904 343387694 /nfs/dbraw/zinc/38/76/94/343387694.db2.gz JEMHYWUQYUWLAT-MRVPVSSYSA-N 0 0 193.246 1.396 10 0 ADAERN C[C@H]1CCCC2(CC(=O)NC(=O)C2)C1 62950782 343387730 /nfs/dbraw/zinc/38/77/30/343387730.db2.gz YPTWMMILLBFVNS-QMMMGPOBSA-N 0 0 195.262 1.620 10 0 ADAERN O=C1CC([C@H]2CC=CCC2)CC(=O)N1 62950905 343387737 /nfs/dbraw/zinc/38/77/37/343387737.db2.gz JEMHYWUQYUWLAT-QMMMGPOBSA-N 0 0 193.246 1.396 10 0 ADAERN COCC(=O)c1ccc(C)nc1 62949452 343387766 /nfs/dbraw/zinc/38/77/66/343387766.db2.gz GVOFAAWCRQAAJY-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN C[C@@H]1CCCC2(CC(=O)NC(=O)C2)C1 62950781 343387809 /nfs/dbraw/zinc/38/78/09/343387809.db2.gz YPTWMMILLBFVNS-MRVPVSSYSA-N 0 0 195.262 1.620 10 0 ADAERN CCC[C@@H](C)C1CC(=O)NC(=O)C1 62950959 343388109 /nfs/dbraw/zinc/38/81/09/343388109.db2.gz HEXONIYAALFZDH-SSDOTTSWSA-N 0 0 183.251 1.475 10 0 ADAERN CCC1(C)CCN(C(N)=S)CC1 62955288 343388165 /nfs/dbraw/zinc/38/81/65/343388165.db2.gz CRGZUDHYJXNJPW-UHFFFAOYSA-N 0 0 186.324 1.742 10 0 ADAERN CCC(CC)C1CC(=O)NC(=O)C1 62950952 343388194 /nfs/dbraw/zinc/38/81/94/343388194.db2.gz KHKTZUDQHTWMRF-UHFFFAOYSA-N 0 0 183.251 1.475 10 0 ADAERN CC[C@H](C)C1CC(=O)NC(=O)C1 62950945 343388199 /nfs/dbraw/zinc/38/81/99/343388199.db2.gz WUCRYSYHGKJINC-LURJTMIESA-N 0 0 169.224 1.085 10 0 ADAERN CC(C)(C)CC1CC(=O)NC(=O)C1 62950957 343388310 /nfs/dbraw/zinc/38/83/10/343388310.db2.gz RDQGINREECYFRB-UHFFFAOYSA-N 0 0 183.251 1.475 10 0 ADAERN CCCNC(=N)c1ccco1 62994620 343395289 /nfs/dbraw/zinc/39/52/89/343395289.db2.gz HEYSMFFBYUTVSU-UHFFFAOYSA-N 0 0 152.197 1.605 10 0 ADAERN CNC(=N)c1cc2ccccc2o1 62994509 343395352 /nfs/dbraw/zinc/39/53/52/343395352.db2.gz OXMVKUKOIJPJPK-UHFFFAOYSA-N 0 0 174.203 1.978 10 0 ADAERN CCNC(=N)c1ccco1 62994546 343395491 /nfs/dbraw/zinc/39/54/91/343395491.db2.gz DNGOUYHRVJJQIW-UHFFFAOYSA-N 0 0 138.170 1.214 10 0 ADAERN CC(C)(C)NC(=N)c1ncccn1 62994902 343395827 /nfs/dbraw/zinc/39/58/27/343395827.db2.gz LTRIYXQVTWAMAY-UHFFFAOYSA-N 0 0 178.239 1.190 10 0 ADAERN N=C(NC1CC1)c1ccco1 62994772 343395876 /nfs/dbraw/zinc/39/58/76/343395876.db2.gz GIBXBBZLSFMDTD-UHFFFAOYSA-N 0 0 150.181 1.357 10 0 ADAERN CC(C)NC(=N)c1ccco1 62994696 343395961 /nfs/dbraw/zinc/39/59/61/343395961.db2.gz QBPQNICXCCZRQL-UHFFFAOYSA-N 0 0 152.197 1.603 10 0 ADAERN CC(C)(C)NC(=N)c1cnccn1 62994908 343395969 /nfs/dbraw/zinc/39/59/69/343395969.db2.gz PPSSPSADKANEPZ-UHFFFAOYSA-N 0 0 178.239 1.190 10 0 ADAERN CC(C)CNC(=N)c1ncccn1 62994989 343396157 /nfs/dbraw/zinc/39/61/57/343396157.db2.gz MCNHUVMPXSVRKM-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN N=C(c1ncccn1)N1CCCCC1 62995470 343396263 /nfs/dbraw/zinc/39/62/63/343396263.db2.gz MKOPPRHEWPQIAF-UHFFFAOYSA-N 0 0 190.250 1.288 10 0 ADAERN Cn1cnnc1-c1ccc(N)c(F)c1 63010082 343396802 /nfs/dbraw/zinc/39/68/02/343396802.db2.gz PBHJMUDODFLBAY-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN CN(C)Cc1nnc(C2CCCC2)[nH]1 63012001 343396847 /nfs/dbraw/zinc/39/68/47/343396847.db2.gz LWAWFRHCVMJZLN-UHFFFAOYSA-N 0 0 194.282 1.524 10 0 ADAERN Cc1nc(-c2ccc(N)c(F)c2)n[nH]1 63010063 343396899 /nfs/dbraw/zinc/39/68/99/343396899.db2.gz QTOKQBGAOFZMCV-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CNc1c(F)cc(C(N)=O)cc1F 63004998 343396936 /nfs/dbraw/zinc/39/69/36/343396936.db2.gz CIWXSCVCHQHGBM-UHFFFAOYSA-N 0 0 186.161 1.105 10 0 ADAERN Cn1ncnc1-c1ccc(N)c(F)c1 63010087 343396947 /nfs/dbraw/zinc/39/69/47/343396947.db2.gz BOSIEOZWPATWBY-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Nc1ccc(-c2ncno2)cc1F 63010021 343397011 /nfs/dbraw/zinc/39/70/11/343397011.db2.gz SSUXSIKSHMEXCH-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Cn1ccnc1C[C@H](O)C(C)(C)C 63038845 343397255 /nfs/dbraw/zinc/39/72/55/343397255.db2.gz WRZWAGVMNLLGSA-QMMMGPOBSA-N 0 0 182.267 1.370 10 0 ADAERN CC(C)C(=O)Cc1nccs1 63023186 343397276 /nfs/dbraw/zinc/39/72/76/343397276.db2.gz QVINXZHAQDSIBO-UHFFFAOYSA-N 0 0 169.249 1.911 10 0 ADAERN Cn1ccnc1C[C@@H](O)C(C)(C)C 63038844 343397279 /nfs/dbraw/zinc/39/72/79/343397279.db2.gz WRZWAGVMNLLGSA-MRVPVSSYSA-N 0 0 182.267 1.370 10 0 ADAERN CC(=O)[C@H](C)c1ccc(F)cn1 63024252 343397300 /nfs/dbraw/zinc/39/73/00/343397300.db2.gz SWCDZZLCMGKXGR-LURJTMIESA-N 0 0 167.183 1.913 10 0 ADAERN CCn1ccnc1CC(C)=O 63023025 343397375 /nfs/dbraw/zinc/39/73/75/343397375.db2.gz SQHRHZKRGIMXOG-UHFFFAOYSA-N 0 0 152.197 1.035 10 0 ADAERN Cc1ccc(C[C@H](C)O)nc1 63037829 343397408 /nfs/dbraw/zinc/39/74/08/343397408.db2.gz DJFUVXRQHRQECE-QMMMGPOBSA-N 0 0 151.209 1.313 10 0 ADAERN CC(=O)[C@@H](C)c1ccc(F)cn1 63024251 343397431 /nfs/dbraw/zinc/39/74/31/343397431.db2.gz SWCDZZLCMGKXGR-ZCFIWIBFSA-N 0 0 167.183 1.913 10 0 ADAERN Cc1ccc(CNN)cc1Cl 63021624 343397462 /nfs/dbraw/zinc/39/74/62/343397462.db2.gz VOCCPRCLJDTWEH-UHFFFAOYSA-N 0 0 170.643 1.612 10 0 ADAERN Cc1ccc(C[C@@H](C)O)nc1 63037828 343397481 /nfs/dbraw/zinc/39/74/81/343397481.db2.gz DJFUVXRQHRQECE-MRVPVSSYSA-N 0 0 151.209 1.313 10 0 ADAERN CC[C@@H](O)Cc1ncccc1C 63039103 343397665 /nfs/dbraw/zinc/39/76/65/343397665.db2.gz TYWULILDRJQWEU-SECBINFHSA-N 0 0 165.236 1.703 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1ccoc1 63046693 343397632 /nfs/dbraw/zinc/39/76/32/343397632.db2.gz OYRZLCZQWVADGT-RKDXNWHRSA-N 0 0 150.177 1.972 10 0 ADAERN C[C@@H](O)[C@H](C)c1ccccn1 63039643 343397661 /nfs/dbraw/zinc/39/76/61/343397661.db2.gz OOMBFXRIXSEBRN-JGVFFNPUSA-N 0 0 151.209 1.566 10 0 ADAERN CCOC(=N)c1ccoc1 63046769 343397667 /nfs/dbraw/zinc/39/76/67/343397667.db2.gz VDAPSHGKSCDIJJ-UHFFFAOYSA-N 0 0 139.154 1.641 10 0 ADAERN CC[C@H](O)Cc1ncccc1C 63039102 343397670 /nfs/dbraw/zinc/39/76/70/343397670.db2.gz TYWULILDRJQWEU-VIFPVBQESA-N 0 0 165.236 1.703 10 0 ADAERN C[C@@H](c1ccncc1)[C@@H](C)O 63039794 343397677 /nfs/dbraw/zinc/39/76/77/343397677.db2.gz XXQNYBUVYOCNTK-HTQZYQBOSA-N 0 0 151.209 1.566 10 0 ADAERN C[C@H](O)[C@H](C)c1ccccn1 63039645 343397680 /nfs/dbraw/zinc/39/76/80/343397680.db2.gz OOMBFXRIXSEBRN-YUMQZZPRSA-N 0 0 151.209 1.566 10 0 ADAERN C[C@@H](c1ccccn1)[C@@H](C)O 63039642 343397683 /nfs/dbraw/zinc/39/76/83/343397683.db2.gz OOMBFXRIXSEBRN-HTQZYQBOSA-N 0 0 151.209 1.566 10 0 ADAERN CC[C@@H](O)Cc1nccs1 63039125 343397686 /nfs/dbraw/zinc/39/76/86/343397686.db2.gz MBSRURCGWGULFF-ZCFIWIBFSA-N 0 0 157.238 1.457 10 0 ADAERN NNc1ccnc(-c2ccoc2)n1 63046985 343397696 /nfs/dbraw/zinc/39/76/96/343397696.db2.gz NJDSTIDMCXCDIS-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(C)[C@@H](O)Cc1nccs1 63039379 343397721 /nfs/dbraw/zinc/39/77/21/343397721.db2.gz TYAOAIUUUIPAEJ-ZETCQYMHSA-N 0 0 171.265 1.703 10 0 ADAERN c1cc([C@H]2NCCS2)co1 63046901 343397865 /nfs/dbraw/zinc/39/78/65/343397865.db2.gz NEFSZCQGIQECGL-ZETCQYMHSA-N 0 0 155.222 1.615 10 0 ADAERN C[C@@H](O)[C@H](C)c1ccc(F)cn1 63039603 343397740 /nfs/dbraw/zinc/39/77/40/343397740.db2.gz ZDJZSRUBGLFUQQ-NKWVEPMBSA-N 0 0 169.199 1.705 10 0 ADAERN CCc1cc(N)nc(-c2ccoc2)n1 63046946 343397753 /nfs/dbraw/zinc/39/77/53/343397753.db2.gz DYWPMVYXISWASR-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN C[C@H](O)[C@@H](C)c1ccc(F)cn1 63039604 343397756 /nfs/dbraw/zinc/39/77/56/343397756.db2.gz ZDJZSRUBGLFUQQ-RQJHMYQMSA-N 0 0 169.199 1.705 10 0 ADAERN COC(=N)c1ccoc1 63046766 343397760 /nfs/dbraw/zinc/39/77/60/343397760.db2.gz MHGJLJNEGMJCEW-UHFFFAOYSA-N 0 0 125.127 1.251 10 0 ADAERN c1cc(CNc2cn[nH]c2)co1 63046918 343397772 /nfs/dbraw/zinc/39/77/72/343397772.db2.gz LRZYBWQBIUZAJE-UHFFFAOYSA-N 0 0 163.180 1.615 10 0 ADAERN Cc1nc(-c2ccoc2)[nH]c(=O)c1C 63046734 343397811 /nfs/dbraw/zinc/39/78/11/343397811.db2.gz SXIYCAPLHGMUKA-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN C[C@H](O)[C@@H](C)c1ccncc1 63039796 343397816 /nfs/dbraw/zinc/39/78/16/343397816.db2.gz XXQNYBUVYOCNTK-SFYZADRCSA-N 0 0 151.209 1.566 10 0 ADAERN CC[C@H](O)Cc1nccs1 63039124 343397823 /nfs/dbraw/zinc/39/78/23/343397823.db2.gz MBSRURCGWGULFF-LURJTMIESA-N 0 0 157.238 1.457 10 0 ADAERN CCc1cc(=O)[nH]c(-c2ccoc2)n1 63046727 343397855 /nfs/dbraw/zinc/39/78/55/343397855.db2.gz IFQWWQHVRBSVMD-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN C[C@@H](O)[C@H](C)c1ccncc1 63039795 343397861 /nfs/dbraw/zinc/39/78/61/343397861.db2.gz XXQNYBUVYOCNTK-JGVFFNPUSA-N 0 0 151.209 1.566 10 0 ADAERN O=c1[nH]c(-c2ccoc2)no1 63046764 343397869 /nfs/dbraw/zinc/39/78/69/343397869.db2.gz HLKGTYCWMDXPGD-UHFFFAOYSA-N 0 0 152.109 1.035 10 0 ADAERN C[C@H](O)[C@@H](C)c1ccccn1 63039644 343397871 /nfs/dbraw/zinc/39/78/71/343397871.db2.gz OOMBFXRIXSEBRN-SFYZADRCSA-N 0 0 151.209 1.566 10 0 ADAERN Cn1ccc(NCc2ccoc2)n1 63047348 343397876 /nfs/dbraw/zinc/39/78/76/343397876.db2.gz SCHJTAIEJGHWPM-UHFFFAOYSA-N 0 0 177.207 1.625 10 0 ADAERN C[C@@H](c1ccc(F)cn1)[C@@H](C)O 63039602 343397884 /nfs/dbraw/zinc/39/78/84/343397884.db2.gz ZDJZSRUBGLFUQQ-RNFRBKRXSA-N 0 0 169.199 1.705 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1ccoc1 63046695 343397886 /nfs/dbraw/zinc/39/78/86/343397886.db2.gz OYRZLCZQWVADGT-BDAKNGLRSA-N 0 0 150.177 1.972 10 0 ADAERN C[C@H](O)[C@H](C)c1ccncc1 63039797 343397889 /nfs/dbraw/zinc/39/78/89/343397889.db2.gz XXQNYBUVYOCNTK-YUMQZZPRSA-N 0 0 151.209 1.566 10 0 ADAERN Nc1nc(-c2ccoc2)ns1 63046724 343397894 /nfs/dbraw/zinc/39/78/94/343397894.db2.gz LBNMXUXMGMGLIS-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1ccoc1 63046694 343397896 /nfs/dbraw/zinc/39/78/96/343397896.db2.gz OYRZLCZQWVADGT-IUCAKERBSA-N 0 0 150.177 1.972 10 0 ADAERN c1cc([C@@H]2NCCS2)co1 63046900 343397900 /nfs/dbraw/zinc/39/79/00/343397900.db2.gz NEFSZCQGIQECGL-SSDOTTSWSA-N 0 0 155.222 1.615 10 0 ADAERN C[C@H](O)[C@H](C)c1ccc(F)cn1 63039605 343397904 /nfs/dbraw/zinc/39/79/04/343397904.db2.gz ZDJZSRUBGLFUQQ-BQBZGAKWSA-N 0 0 169.199 1.705 10 0 ADAERN Clc1nc(-c2ccoc2)no1 63046765 343397909 /nfs/dbraw/zinc/39/79/09/343397909.db2.gz QVAOJXQPSJDQMY-UHFFFAOYSA-N 0 0 170.555 1.983 10 0 ADAERN OCc1c[nH]c(-c2ccoc2)n1 63047013 343397912 /nfs/dbraw/zinc/39/79/12/343397912.db2.gz LNWMYKRYBRKJPP-UHFFFAOYSA-N 0 0 164.164 1.162 10 0 ADAERN CC(C)[C@H](O)Cc1nccs1 63039378 343397926 /nfs/dbraw/zinc/39/79/26/343397926.db2.gz TYAOAIUUUIPAEJ-SSDOTTSWSA-N 0 0 171.265 1.703 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1ccoc1 63046692 343397929 /nfs/dbraw/zinc/39/79/29/343397929.db2.gz OYRZLCZQWVADGT-DTWKUNHWSA-N 0 0 150.177 1.972 10 0 ADAERN Cc1cnn(Cc2ccoc2)c1N 63047542 343398136 /nfs/dbraw/zinc/39/81/36/343398136.db2.gz BVQQJRHMFBXIEI-UHFFFAOYSA-N 0 0 177.207 1.415 10 0 ADAERN Nc1ccnn1Cc1ccoc1 63047541 343398232 /nfs/dbraw/zinc/39/82/32/343398232.db2.gz RBXCBOXLIJSJCV-UHFFFAOYSA-N 0 0 163.180 1.107 10 0 ADAERN Nc1c(Cl)cnn1Cc1ccoc1 63047544 343398244 /nfs/dbraw/zinc/39/82/44/343398244.db2.gz VLPKYTJNIQIBOR-UHFFFAOYSA-N 0 0 197.625 1.760 10 0 ADAERN Cc1cc(N)n(Cc2ccoc2)n1 63047543 343398282 /nfs/dbraw/zinc/39/82/82/343398282.db2.gz YWWKSJYWFCBJIB-UHFFFAOYSA-N 0 0 177.207 1.415 10 0 ADAERN Cc1cc(CNCc2ccoc2)on1 63047472 343398295 /nfs/dbraw/zinc/39/82/95/343398295.db2.gz JGQKUUGIYHVCSU-UHFFFAOYSA-N 0 0 192.218 1.866 10 0 ADAERN O=CN1CCCc2cccc(O)c21 63063722 343399058 /nfs/dbraw/zinc/39/90/58/343399058.db2.gz JNFQVEKTYNCQEW-UHFFFAOYSA-N 0 0 177.203 1.301 10 0 ADAERN Cc1cc(-c2nnc(N)o2)ccc1F 63056202 343399084 /nfs/dbraw/zinc/39/90/84/343399084.db2.gz HPJDVJRTWFMXEC-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CCOC(=O)c1cc(C)c(F)c(N)c1 63055296 343399100 /nfs/dbraw/zinc/39/91/00/343399100.db2.gz RPCWKEBNYQKVSI-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN Cc1cc(-c2nc(N)n[nH]2)ccc1F 63056198 343399163 /nfs/dbraw/zinc/39/91/63/343399163.db2.gz FRKOOLVRXBJCMI-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CON(C)C(=O)c1ccc(F)c(C)c1 63060595 343399219 /nfs/dbraw/zinc/39/92/19/343399219.db2.gz CQQMWXZWVQTJRJ-UHFFFAOYSA-N 0 0 197.209 1.768 10 0 ADAERN CC1(C)CCCN1C(=O)c1cn[nH]c1 63063611 343399270 /nfs/dbraw/zinc/39/92/70/343399270.db2.gz DSSYXNXYEIMICC-UHFFFAOYSA-N 0 0 193.250 1.424 10 0 ADAERN COC(=O)c1cc(C)c(F)c(N)c1 63055295 343399303 /nfs/dbraw/zinc/39/93/03/343399303.db2.gz CTLFNAGCIRKRRO-UHFFFAOYSA-N 0 0 183.182 1.503 10 0 ADAERN CC1(C)CCCN1c1ncc(N)cn1 63066256 343399605 /nfs/dbraw/zinc/39/96/05/343399605.db2.gz DZOIXUHKHRBIGC-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN C=CC(=O)N1CCCC1(C)C 63067272 343399885 /nfs/dbraw/zinc/39/98/85/343399885.db2.gz WIVBFDGUOGJMPU-UHFFFAOYSA-N 0 0 153.225 1.573 10 0 ADAERN CC1(C)CCCN1C(N)=S 63067378 343400142 /nfs/dbraw/zinc/40/01/42/343400142.db2.gz NMQLDOGFWBHEKH-UHFFFAOYSA-N 0 0 158.270 1.104 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CCCC1(C)C 63067559 343400215 /nfs/dbraw/zinc/40/02/15/343400215.db2.gz OTTNEAWSEANDBN-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H](C[N@@H+]1CCCC1(C)C)C(=O)[O-] 63067594 343400302 /nfs/dbraw/zinc/40/03/02/343400302.db2.gz YHZPMWKYLMFLON-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@@H+]1CCCC1(C)C 63067558 343400446 /nfs/dbraw/zinc/40/04/46/343400446.db2.gz OTTNEAWSEANDBN-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H](C[N@@H+]1CCCC1(C)C)C(=O)[O-] 63067595 343400624 /nfs/dbraw/zinc/40/06/24/343400624.db2.gz YHZPMWKYLMFLON-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H](C(=O)[O-])[N@@H+]1CCCC1(C)C 63067568 343400708 /nfs/dbraw/zinc/40/07/08/343400708.db2.gz PRNCVHUCWQLUDQ-SSDOTTSWSA-N 0 0 171.240 1.334 10 0 ADAERN CC(C)(C[N@@H+]1CCCC1(C)C)C(=O)[O-] 63073532 343400891 /nfs/dbraw/zinc/40/08/91/343400891.db2.gz MQXLORBFHAEABS-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN OC1(c2cccs2)CCOCC1 63076866 343401426 /nfs/dbraw/zinc/40/14/26/343401426.db2.gz JZFSTUNZBXSEOC-UHFFFAOYSA-N 0 0 184.260 1.746 10 0 ADAERN OC1(c2ccccc2F)CCOCC1 63076846 343401493 /nfs/dbraw/zinc/40/14/93/343401493.db2.gz CMEPQYJTLZHZHM-UHFFFAOYSA-N 0 0 196.221 1.824 10 0 ADAERN Cc1ccc(C2(O)CCOCC2)cc1 63076834 343401499 /nfs/dbraw/zinc/40/14/99/343401499.db2.gz LPQOGEOMISXGHV-UHFFFAOYSA-N 0 0 192.258 1.993 10 0 ADAERN OC1(c2ccc(F)cc2)CCOCC1 63076826 343401503 /nfs/dbraw/zinc/40/15/03/343401503.db2.gz TWJKAYDWODALSN-UHFFFAOYSA-N 0 0 196.221 1.824 10 0 ADAERN OC1(c2cccc(F)c2)CCOCC1 63076835 343401523 /nfs/dbraw/zinc/40/15/23/343401523.db2.gz KHWIYACRJAHYJL-UHFFFAOYSA-N 0 0 196.221 1.824 10 0 ADAERN OC1(c2cncc(F)c2)CCOCC1 63076871 343401543 /nfs/dbraw/zinc/40/15/43/343401543.db2.gz CSCGFUFSGIAYQX-UHFFFAOYSA-N 0 0 197.209 1.219 10 0 ADAERN N#CNCCC(F)(F)F 63100022 343402259 /nfs/dbraw/zinc/40/22/59/343402259.db2.gz ALLYLHZOMSHPBD-UHFFFAOYSA-N 0 0 138.092 1.009 10 0 ADAERN FC(F)(F)CCNc1cccnn1 63100559 343402356 /nfs/dbraw/zinc/40/23/56/343402356.db2.gz QXNRMOUCSSLNIU-UHFFFAOYSA-N 0 0 191.156 1.841 10 0 ADAERN FC(F)(F)CCN1CN=NC1=S 63100739 343402418 /nfs/dbraw/zinc/40/24/18/343402418.db2.gz PCHNCUCGMXJXGK-UHFFFAOYSA-N 0 0 197.185 1.519 10 0 ADAERN FC(F)(F)CCNc1ccncn1 63100572 343402563 /nfs/dbraw/zinc/40/25/63/343402563.db2.gz OVDYTWYMRAODAK-UHFFFAOYSA-N 0 0 191.156 1.841 10 0 ADAERN O=C1CCN(Cc2ccsc2)C1 63152930 343402851 /nfs/dbraw/zinc/40/28/51/343402851.db2.gz DCHRXMPPAHKUQE-UHFFFAOYSA-N 0 0 181.260 1.523 10 0 ADAERN O=C1CCN(Cc2ccsc2)C1=O 63152933 343403044 /nfs/dbraw/zinc/40/30/44/343403044.db2.gz IRSQFTDEESKTNB-UHFFFAOYSA-N 0 0 195.243 1.050 10 0 ADAERN CC1CCC(CNC(N)=S)CC1 63145990 343403047 /nfs/dbraw/zinc/40/30/47/343403047.db2.gz UBDYKEHSMHHJCG-UHFFFAOYSA-N 0 0 186.324 1.646 10 0 ADAERN CCN(C(N)=O)c1cccc(N)c1 63107857 343403066 /nfs/dbraw/zinc/40/30/66/343403066.db2.gz UFJUBSCUWYZHGA-UHFFFAOYSA-N 0 0 179.223 1.174 10 0 ADAERN CCOC(=O)c1cc(F)c(C)cc1N 63134614 343403104 /nfs/dbraw/zinc/40/31/04/343403104.db2.gz GNWHXAGSTMMWKK-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN N#CNCc1ccsc1 63152823 343403115 /nfs/dbraw/zinc/40/31/15/343403115.db2.gz YHGBBONKHYRYQY-UHFFFAOYSA-N 0 0 138.195 1.319 10 0 ADAERN CC1CCC(CNC#N)CC1 63145404 343403136 /nfs/dbraw/zinc/40/31/36/343403136.db2.gz AJCDRQDSBBEIQV-UHFFFAOYSA-N 0 0 152.241 1.883 10 0 ADAERN C=CC(=O)NCc1ccsc1 63153205 343403624 /nfs/dbraw/zinc/40/36/24/343403624.db2.gz AJEYHJSJGGTHTK-UHFFFAOYSA-N 0 0 167.233 1.550 10 0 ADAERN NC(=S)NCc1ccsc1 63153211 343403695 /nfs/dbraw/zinc/40/36/95/343403695.db2.gz GUOAMYISUHKLRK-UHFFFAOYSA-N 0 0 172.278 1.081 10 0 ADAERN C=CC(=O)Nc1ccc2c(c1)CCN2 63187903 343405348 /nfs/dbraw/zinc/40/53/48/343405348.db2.gz QNGMILNDJHKQQC-UHFFFAOYSA-N 0 0 188.230 1.779 10 0 ADAERN COC(=O)Nc1ccc2c(c1)CCN2 63188134 343405363 /nfs/dbraw/zinc/40/53/63/343405363.db2.gz YFSFJEQFUPPCGH-UHFFFAOYSA-N 0 0 192.218 1.833 10 0 ADAERN NC(=O)Nc1ccc2c(c1)CCN2 63188128 343405386 /nfs/dbraw/zinc/40/53/86/343405386.db2.gz PVUOBHRPRWNUHZ-UHFFFAOYSA-N 0 0 177.207 1.145 10 0 ADAERN C=CC(=O)Nc1cc(F)ccc1N 63201851 343405925 /nfs/dbraw/zinc/40/59/25/343405925.db2.gz YXNHYCJPOISHSZ-UHFFFAOYSA-N 0 0 180.182 1.532 10 0 ADAERN CC(=O)Nc1cc(F)ccc1N 63201955 343405957 /nfs/dbraw/zinc/40/59/57/343405957.db2.gz DPTVHVRIENHKII-UHFFFAOYSA-N 0 0 168.171 1.366 10 0 ADAERN COC(=O)Nc1cc(F)ccc1N 63202518 343405982 /nfs/dbraw/zinc/40/59/82/343405982.db2.gz RMBJMVKAMDZYFJ-UHFFFAOYSA-N 0 0 184.170 1.586 10 0 ADAERN CCC(=O)Nc1cc(F)ccc1N 63202041 343406105 /nfs/dbraw/zinc/40/61/05/343406105.db2.gz GPGUKPRERLLVMH-UHFFFAOYSA-N 0 0 182.198 1.756 10 0 ADAERN C=CC(=O)Nc1cc(OC)ccc1N 63209660 343406016 /nfs/dbraw/zinc/40/60/16/343406016.db2.gz IRDMCAQKWYYASZ-UHFFFAOYSA-N 0 0 192.218 1.402 10 0 ADAERN COC(=O)Nc1cc(OC)ccc1N 63212538 343406090 /nfs/dbraw/zinc/40/60/90/343406090.db2.gz FAKATSKWWCWLBH-UHFFFAOYSA-N 0 0 196.206 1.456 10 0 ADAERN CCOC(=O)Nc1cc(F)ccc1N 63202544 343406113 /nfs/dbraw/zinc/40/61/13/343406113.db2.gz NJZJTXQSNCJKOB-UHFFFAOYSA-N 0 0 198.197 1.976 10 0 ADAERN C=CC(=O)Nc1ccc(F)c(N)c1 63202375 343406169 /nfs/dbraw/zinc/40/61/69/343406169.db2.gz JVLUJWWOIGXGOS-UHFFFAOYSA-N 0 0 180.182 1.532 10 0 ADAERN C[C@H](CO)n1cnc2cc(N)ccc21 63221108 343406485 /nfs/dbraw/zinc/40/64/85/343406485.db2.gz CGXMKIIYTBWSHP-SSDOTTSWSA-N 0 0 191.234 1.172 10 0 ADAERN Nc1ccc(C(=O)OC2CCC2)cn1 63216692 343406592 /nfs/dbraw/zinc/40/65/92/343406592.db2.gz LGJOIKWPNLWVCG-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN C[C@@H](CO)n1cnc2cc(N)ccc21 63221107 343406645 /nfs/dbraw/zinc/40/66/45/343406645.db2.gz CGXMKIIYTBWSHP-ZETCQYMHSA-N 0 0 191.234 1.172 10 0 ADAERN CC(C)(C)OC(=O)c1nccnc1N 63216590 343406661 /nfs/dbraw/zinc/40/66/61/343406661.db2.gz NWNGZMFRPOFODF-UHFFFAOYSA-N 0 0 195.222 1.014 10 0 ADAERN CC(C)OC(=O)c1ccc(N)nc1 63216584 343406816 /nfs/dbraw/zinc/40/68/16/343406816.db2.gz YCYCTWVHPGSEFU-UHFFFAOYSA-N 0 0 180.207 1.229 10 0 ADAERN CNc1cnc(Cl)s1 64033528 343406910 /nfs/dbraw/zinc/40/69/10/343406910.db2.gz GKKVXHWSMPCNOU-UHFFFAOYSA-N 0 0 148.618 1.838 10 0 ADAERN CC1(c2nnco2)CC1 64034201 343406968 /nfs/dbraw/zinc/40/69/68/343406968.db2.gz YWUFRMZKROSGOA-UHFFFAOYSA-N 0 0 124.143 1.121 10 0 ADAERN Cc1cccc(Cc2nnco2)c1 64034160 343407065 /nfs/dbraw/zinc/40/70/65/343407065.db2.gz TVHIAQSXFHMUMD-UHFFFAOYSA-N 0 0 174.203 1.969 10 0 ADAERN Cc1ccc2c(=O)[nH]ccc2c1N 64033951 343407106 /nfs/dbraw/zinc/40/71/06/343407106.db2.gz RFNOGEQEKXSGTD-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN [O-][n+]1cccc(C(F)(F)F)c1 63772320 343407297 /nfs/dbraw/zinc/40/72/97/343407297.db2.gz GBXKHNRJGRFFGG-UHFFFAOYSA-N 0 0 163.098 1.339 10 0 ADAERN CCCC(=O)N1CCC(OC)CC1 64553791 343407570 /nfs/dbraw/zinc/40/75/70/343407570.db2.gz CGIXTPHNWKHHET-UHFFFAOYSA-N 0 0 185.267 1.424 10 0 ADAERN Cc1nnc(N(C)C)c2cccn12 64541974 343407582 /nfs/dbraw/zinc/40/75/82/343407582.db2.gz QFGFSOWUNZKJAZ-UHFFFAOYSA-N 0 0 176.223 1.104 10 0 ADAERN Cc1nc(N(C)C)c2c(C)noc2n1 64543260 343407625 /nfs/dbraw/zinc/40/76/25/343407625.db2.gz NQXNMCCGHBPQCG-UHFFFAOYSA-N 0 0 192.222 1.301 10 0 ADAERN CCCCn1c(C=O)ccc1CO 64633866 343407640 /nfs/dbraw/zinc/40/76/40/343407640.db2.gz FNDGDKSOMNMMLY-UHFFFAOYSA-N 0 0 181.235 1.593 10 0 in-vitro ADAERN CCc1cc(C(=O)NC2CC2)on1 64555249 343407754 /nfs/dbraw/zinc/40/77/54/343407754.db2.gz JWKMERMOUHKNPM-UHFFFAOYSA-N 0 0 180.207 1.129 10 0 ADAERN CCc1noc(-c2cccn2C)n1 64551287 343407771 /nfs/dbraw/zinc/40/77/71/343407771.db2.gz KNGNCIJJVDMETI-UHFFFAOYSA-N 0 0 177.207 1.638 10 0 ADAERN Cc1cc2nsnc2c(N)c1C 64871482 343407803 /nfs/dbraw/zinc/40/78/03/343407803.db2.gz RDQJWJGZJZWMNS-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN CCc1cc(C(=O)NC(C)C)on1 64555254 343407880 /nfs/dbraw/zinc/40/78/80/343407880.db2.gz VPYRRHLHVORDHF-UHFFFAOYSA-N 0 0 182.223 1.375 10 0 ADAERN CCn1ncc2ccc(C(N)=O)cc21 64555114 343407883 /nfs/dbraw/zinc/40/78/83/343407883.db2.gz QZSXKUQMOPJVNM-UHFFFAOYSA-N 0 0 189.218 1.155 10 0 ADAERN Cc1nc(C)n2ccnc(Cl)c12 65240160 343408326 /nfs/dbraw/zinc/40/83/26/343408326.db2.gz YJMQNJPDERVWCA-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN CCc1onc(CO)c1C 66113150 343409458 /nfs/dbraw/zinc/40/94/58/343409458.db2.gz OHQMZHUQRFVFRP-UHFFFAOYSA-N 0 0 141.170 1.038 10 0 ADAERN CCNc1ccc(N)cc1N 66153322 343409465 /nfs/dbraw/zinc/40/94/65/343409465.db2.gz KFZRGUUHPPWUDK-UHFFFAOYSA-N 0 0 151.213 1.283 10 0 ADAERN CCCN1CCCCC1=O 66322419 343409488 /nfs/dbraw/zinc/40/94/88/343409488.db2.gz PYOFHCFMVFHGGF-UHFFFAOYSA-N 0 0 141.214 1.409 10 0 ADAERN CC(C)[C@H]1NC(=O)c2ccccc2N1 66119169 343409570 /nfs/dbraw/zinc/40/95/70/343409570.db2.gz JTNHEDHMPLZOEA-SNVBAGLBSA-N 0 0 190.246 1.824 10 0 ADAERN Cc1ccc(-c2nsc(N)n2)nc1 67173656 343410136 /nfs/dbraw/zinc/41/01/36/343410136.db2.gz IJFFBGQDHAGFBZ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1noc(-c2ccc(Cl)nn2)n1 66345900 343410228 /nfs/dbraw/zinc/41/02/28/343410228.db2.gz SOMKXRFFIQEERZ-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN Cc1cc(C(F)(F)F)n[nH]1 67175886 343410753 /nfs/dbraw/zinc/41/07/53/343410753.db2.gz LUQGPIMPFRHEAU-UHFFFAOYSA-N 0 0 150.103 1.769 10 0 ADAERN Cc1cc(N)nn1CC(=O)C(C)(C)C 67799161 343410931 /nfs/dbraw/zinc/41/09/31/343410931.db2.gz UIKWKHGKMMQRGO-UHFFFAOYSA-N 0 0 195.266 1.389 10 0 ADAERN Oc1ccc(C2CCOCC2)c(O)c1 68208013 343411379 /nfs/dbraw/zinc/41/13/79/343411379.db2.gz YVJHGULPEXKTIJ-UHFFFAOYSA-N 0 0 194.230 1.992 10 0 ADAERN Cc1ncc2c(=S)[nH]c(C)nc2n1 68575329 343411398 /nfs/dbraw/zinc/41/13/98/343411398.db2.gz WGANQZACWVHVOL-UHFFFAOYSA-N 0 0 192.247 1.325 10 0 ADAERN O=C(CSc1ncccn1)C1CC1 68890629 343412730 /nfs/dbraw/zinc/41/27/30/343412730.db2.gz ZJMRBEBZDCEKMV-UHFFFAOYSA-N 0 0 194.259 1.548 10 0 ADAERN Cn1ccnc1SCC(=O)C1CC1 68890633 343412839 /nfs/dbraw/zinc/41/28/39/343412839.db2.gz KMXFFUWMOQVOPK-UHFFFAOYSA-N 0 0 196.275 1.491 10 0 ADAERN CC(C)[C@H](O)C1CCOCC1 68890789 343413151 /nfs/dbraw/zinc/41/31/51/343413151.db2.gz LTYRSFWXJFMHSP-VIFPVBQESA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)C[C@@H](O)C1CCOCC1 68890776 343413273 /nfs/dbraw/zinc/41/32/73/343413273.db2.gz OURGYYPTHWBOHO-SNVBAGLBSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)C[C@H](O)C1CCOCC1 68890775 343413389 /nfs/dbraw/zinc/41/33/89/343413389.db2.gz OURGYYPTHWBOHO-JTQLQIEISA-N 0 0 172.268 1.820 10 0 ADAERN NC(=O)Nc1ccc2c(c1)NCCC2 68890825 343413442 /nfs/dbraw/zinc/41/34/42/343413442.db2.gz MZRZJPRHAZJYLN-UHFFFAOYSA-N 0 0 191.234 1.535 10 0 ADAERN Cc1nn(CC(=O)C2CC2)c(C)c1C 68897914 343413707 /nfs/dbraw/zinc/41/37/07/343413707.db2.gz KFDGAPUJJFJCET-UHFFFAOYSA-N 0 0 192.262 1.787 10 0 ADAERN Cc1cnn(CC(=O)C2CC2)c1 68897857 343413773 /nfs/dbraw/zinc/41/37/73/343413773.db2.gz LIVGTVCVBCRYDJ-UHFFFAOYSA-N 0 0 164.208 1.171 10 0 ADAERN C[C@@H]1CN(CC(=O)C2CC2)C[C@@H](C)O1 68894099 343414023 /nfs/dbraw/zinc/41/40/23/343414023.db2.gz PPCQHVIWEQTPBY-RKDXNWHRSA-N 0 0 197.278 1.075 10 0 ADAERN O=C(CN1CCSCC1)C1CC1 68895700 343414088 /nfs/dbraw/zinc/41/40/88/343414088.db2.gz HRGDTKKODJMGIH-UHFFFAOYSA-N 0 0 185.292 1.014 10 0 ADAERN C[C@H]1CN(CC(=O)C2CC2)C[C@H](C)O1 68894096 343414102 /nfs/dbraw/zinc/41/41/02/343414102.db2.gz PPCQHVIWEQTPBY-IUCAKERBSA-N 0 0 197.278 1.075 10 0 ADAERN CSCCn1c(C)n[nH]c1=S 69013610 343420892 /nfs/dbraw/zinc/42/08/92/343420892.db2.gz BBCCVBINWFFOKX-UHFFFAOYSA-N 0 0 189.309 1.612 10 0 ADAERN Cc1ncn(CC(=O)C2CC2)c1C 68900545 343414466 /nfs/dbraw/zinc/41/44/66/343414466.db2.gz YHVZPXUKQBAKAX-UHFFFAOYSA-N 0 0 178.235 1.479 10 0 ADAERN CCSCC(=O)C1CC1 68906111 343414483 /nfs/dbraw/zinc/41/44/83/343414483.db2.gz LVNMWKJLURNXPN-UHFFFAOYSA-N 0 0 144.239 1.719 10 0 ADAERN CSCC(=O)C1CC1 68906639 343414509 /nfs/dbraw/zinc/41/45/09/343414509.db2.gz ROGWNRWWHXXLJT-UHFFFAOYSA-N 0 0 130.212 1.329 10 0 ADAERN Cc1cc(C)n(C[C@H](O)C2CC2)n1 68909787 343414574 /nfs/dbraw/zinc/41/45/74/343414574.db2.gz XUZAWWZQRAJSJI-JTQLQIEISA-N 0 0 180.251 1.271 10 0 ADAERN Cc1cccc(=O)n1CC(=O)C1CC1 68899925 343414634 /nfs/dbraw/zinc/41/46/34/343414634.db2.gz VDYZIURDOZTKHX-UHFFFAOYSA-N 0 0 191.230 1.136 10 0 ADAERN Cc1cc(C)n(C[C@@H](O)C2CC2)n1 68909790 343414646 /nfs/dbraw/zinc/41/46/46/343414646.db2.gz XUZAWWZQRAJSJI-SNVBAGLBSA-N 0 0 180.251 1.271 10 0 ADAERN O=c1[nH]c(C2CC2)cs1 68906932 343414701 /nfs/dbraw/zinc/41/47/01/343414701.db2.gz ANGHZYIUKQPGAW-UHFFFAOYSA-N 0 0 141.195 1.314 10 0 ADAERN Cc1ccn(CC(=O)C2CC2)c(=O)c1 68900809 343414735 /nfs/dbraw/zinc/41/47/35/343414735.db2.gz CAWCXTYMWUOVAV-UHFFFAOYSA-N 0 0 191.230 1.136 10 0 ADAERN O=C1CCCCCN1C[C@H](O)C1CC1 68910001 343414972 /nfs/dbraw/zinc/41/49/72/343414972.db2.gz OVBLSTXNQZFRSY-JTQLQIEISA-N 0 0 197.278 1.160 10 0 ADAERN Cc1nn(C[C@@H](O)C2CC2)c(C)c1C 68910174 343414974 /nfs/dbraw/zinc/41/49/74/343414974.db2.gz RCODGKVFZUATGE-LLVKDONJSA-N 0 0 194.278 1.579 10 0 ADAERN O=C1CCCCCN1C[C@@H](O)C1CC1 68910005 343415059 /nfs/dbraw/zinc/41/50/59/343415059.db2.gz OVBLSTXNQZFRSY-SNVBAGLBSA-N 0 0 197.278 1.160 10 0 ADAERN Cc1ncn(C[C@@H](O)C2CC2)c1C 68910272 343415121 /nfs/dbraw/zinc/41/51/21/343415121.db2.gz WUHOXOMGDGBYRZ-SNVBAGLBSA-N 0 0 180.251 1.271 10 0 ADAERN CCCOC[C@@H](O)C1CC1 68911187 343415136 /nfs/dbraw/zinc/41/51/36/343415136.db2.gz ULVDNFWBLNGTBG-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1ncn(C[C@H](O)C2CC2)c1C 68910268 343415148 /nfs/dbraw/zinc/41/51/48/343415148.db2.gz WUHOXOMGDGBYRZ-JTQLQIEISA-N 0 0 180.251 1.271 10 0 ADAERN CN(C)c1nc(C2CC2)c(CO)s1 68942302 343415589 /nfs/dbraw/zinc/41/55/89/343415589.db2.gz FHDKPJQZYPEVPQ-UHFFFAOYSA-N 0 0 198.291 1.579 10 0 ADAERN CN(C)c1nc(C2CC2)c(C=O)s1 68942244 343415674 /nfs/dbraw/zinc/41/56/74/343415674.db2.gz BXXOFXWAHXYNCN-UHFFFAOYSA-N 0 0 196.275 1.899 10 0 ADAERN C[C@@H]1CCc2[nH]c(C=O)nc2C1 68945609 343415843 /nfs/dbraw/zinc/41/58/43/343415843.db2.gz OEBRHRBHFWXLFL-ZCFIWIBFSA-N 0 0 164.208 1.347 10 0 ADAERN CC[C@@H]1CCc2[nH]c(C=O)nc2C1 68945691 343415849 /nfs/dbraw/zinc/41/58/49/343415849.db2.gz QTZPINVBAGGLJR-SSDOTTSWSA-N 0 0 178.235 1.737 10 0 ADAERN Cc1[nH]c(CO)nc1-c1cccs1 68945863 343415862 /nfs/dbraw/zinc/41/58/62/343415862.db2.gz RLVSRPSWJWNCKY-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN C[C@H]1CCc2[nH]c(CO)nc2C1 68945837 343415868 /nfs/dbraw/zinc/41/58/68/343415868.db2.gz AWDDHBFSOWJMNW-LURJTMIESA-N 0 0 166.224 1.027 10 0 ADAERN O=Cc1nc2c([nH]1)CCCCCC2 68945607 343415894 /nfs/dbraw/zinc/41/58/94/343415894.db2.gz KWPRTPUJUMCKIL-UHFFFAOYSA-N 0 0 178.235 1.881 10 0 ADAERN O=Cc1nc(-c2ccncc2)c[nH]1 68945630 343415905 /nfs/dbraw/zinc/41/59/05/343415905.db2.gz DYTVEVMNRPOFGK-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN CC(C)[C@@H]1CCc2[nH]c(C=O)nc2C1 68945620 343415908 /nfs/dbraw/zinc/41/59/08/343415908.db2.gz XJXSLUMWYAAURJ-MRVPVSSYSA-N 0 0 192.262 1.983 10 0 ADAERN O=Cc1nc2c([nH]1)CCc1ccccc1-2 68945669 343415912 /nfs/dbraw/zinc/41/59/12/343415912.db2.gz HJJHEVUVZQILBT-UHFFFAOYSA-N 0 0 198.225 1.988 10 0 ADAERN CCC[C@@H]1CCc2[nH]c(CO)nc2C1 68945704 343415935 /nfs/dbraw/zinc/41/59/35/343415935.db2.gz IPDABDMREMOZAT-MRVPVSSYSA-N 0 0 194.278 1.807 10 0 ADAERN OCc1nc2c([nH]1)CCCCCC2 68945776 343415967 /nfs/dbraw/zinc/41/59/67/343415967.db2.gz PGLZBOIQPTXZOJ-UHFFFAOYSA-N 0 0 180.251 1.561 10 0 ADAERN Cc1ccc(-c2c[nH]c(CO)n2)s1 68945764 343416005 /nfs/dbraw/zinc/41/60/05/343416005.db2.gz CWGUOILQDCNZFR-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN OCc1nc(-c2ccc(F)cc2)c[nH]1 68945795 343416025 /nfs/dbraw/zinc/41/60/25/343416025.db2.gz OFTTWXAOTKVWSK-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN CC[C@@H]1CCc2[nH]c(CO)nc2C1 68945854 343416028 /nfs/dbraw/zinc/41/60/28/343416028.db2.gz VSEZAGNGVLXSKK-SSDOTTSWSA-N 0 0 180.251 1.417 10 0 ADAERN Cc1[nH]c([C@@H](C)O)c(C)c1C 68944405 343416038 /nfs/dbraw/zinc/41/60/38/343416038.db2.gz LPWFKYABSJDUGW-MRVPVSSYSA-N 0 0 153.225 1.993 10 0 ADAERN Cc1[nH]c(CO)nc1-c1ccccc1 68945830 343416041 /nfs/dbraw/zinc/41/60/41/343416041.db2.gz PVQCSVLCIVATRT-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN O=Cc1nc(-c2cccs2)c[nH]1 68945679 343416046 /nfs/dbraw/zinc/41/60/46/343416046.db2.gz NIOKYSRTGOPFHK-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN CCC[C@H]1CCc2[nH]c(CO)nc2C1 68945705 343416062 /nfs/dbraw/zinc/41/60/62/343416062.db2.gz IPDABDMREMOZAT-QMMMGPOBSA-N 0 0 194.278 1.807 10 0 ADAERN Cc1cccc(-c2c[nH]c(CO)n2)c1 68945789 343416071 /nfs/dbraw/zinc/41/60/71/343416071.db2.gz WKZZLFMSVPRLLX-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN O=Cc1nc2c([nH]1)CCCCC2 68945577 343416074 /nfs/dbraw/zinc/41/60/74/343416074.db2.gz KFTFFHRNHFVDKU-UHFFFAOYSA-N 0 0 164.208 1.491 10 0 ADAERN Cc1ccccc1-c1c[nH]c(CO)n1 68945741 343416098 /nfs/dbraw/zinc/41/60/98/343416098.db2.gz JOYNPBFTMNPODE-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN OCc1nc(-c2cccs2)c[nH]1 68945715 343416102 /nfs/dbraw/zinc/41/61/02/343416102.db2.gz RLZJSSXDBZMWOP-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN CCn1cc(-c2c[nH]c(C=O)n2)cn1 68945596 343416104 /nfs/dbraw/zinc/41/61/04/343416104.db2.gz USKOCRTUKQBAFC-UHFFFAOYSA-N 0 0 190.206 1.106 10 0 ADAERN CC[C@H]1CCc2[nH]c(C=O)nc2C1 68945693 343416106 /nfs/dbraw/zinc/41/61/06/343416106.db2.gz QTZPINVBAGGLJR-ZETCQYMHSA-N 0 0 178.235 1.737 10 0 ADAERN C[C@@H]1CCc2[nH]c(CO)nc2C1 68945835 343416122 /nfs/dbraw/zinc/41/61/22/343416122.db2.gz AWDDHBFSOWJMNW-ZCFIWIBFSA-N 0 0 166.224 1.027 10 0 ADAERN O=Cc1nc(-c2ccsc2)c[nH]1 68945588 343416132 /nfs/dbraw/zinc/41/61/32/343416132.db2.gz DEQJZZVBSVBTGJ-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN Cc1[nH]c([C@H](C)O)c(C)c1C 68944409 343416157 /nfs/dbraw/zinc/41/61/57/343416157.db2.gz LPWFKYABSJDUGW-QMMMGPOBSA-N 0 0 153.225 1.993 10 0 ADAERN OCc1nc(-c2ccsc2)c[nH]1 68945751 343416193 /nfs/dbraw/zinc/41/61/93/343416193.db2.gz RGSZEABMOTXARE-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN CNC(=O)Cn1cc(C)c(C)c1C 68944339 343416212 /nfs/dbraw/zinc/41/62/12/343416212.db2.gz BUCDZDAWCRSFKW-UHFFFAOYSA-N 0 0 180.251 1.159 10 0 ADAERN Cc1ccc(-c2c[nH]c(CO)n2)cc1 68945812 343416222 /nfs/dbraw/zinc/41/62/22/343416222.db2.gz KEPPNOQDIBIUPW-UHFFFAOYSA-N 0 0 188.230 1.877 10 0 ADAERN CC(C)[C@H]1CCc2[nH]c(C=O)nc2C1 68945622 343416228 /nfs/dbraw/zinc/41/62/28/343416228.db2.gz XJXSLUMWYAAURJ-QMMMGPOBSA-N 0 0 192.262 1.983 10 0 ADAERN CC[C@H]1CCc2[nH]c(CO)nc2C1 68945857 343416234 /nfs/dbraw/zinc/41/62/34/343416234.db2.gz VSEZAGNGVLXSKK-ZETCQYMHSA-N 0 0 180.251 1.417 10 0 ADAERN C[C@H]1CCc2[nH]c(C=O)nc2C1 68945611 343416242 /nfs/dbraw/zinc/41/62/42/343416242.db2.gz OEBRHRBHFWXLFL-LURJTMIESA-N 0 0 164.208 1.347 10 0 ADAERN OCc1nc2c([nH]1)CCCCC2 68945718 343416268 /nfs/dbraw/zinc/41/62/68/343416268.db2.gz IDBWAINTOXBJKC-UHFFFAOYSA-N 0 0 166.224 1.171 10 0 ADAERN CC(C)C[C@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 68949740 343416537 /nfs/dbraw/zinc/41/65/37/343416537.db2.gz BJDNSELERDQJQG-PSASIEDQSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)C[C@@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 68949742 343416539 /nfs/dbraw/zinc/41/65/39/343416539.db2.gz BJDNSELERDQJQG-SCZZXKLOSA-N 0 0 185.267 1.343 10 0 ADAERN CC[C@H](C)[C@@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 68949383 343416556 /nfs/dbraw/zinc/41/65/56/343416556.db2.gz LMOHARKXTQWQEE-QXFUBDJGSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)C[C@@]1(C)C[NH2+]C[C@H]1C(=O)[O-] 68949747 343416590 /nfs/dbraw/zinc/41/65/90/343416590.db2.gz BJDNSELERDQJQG-WPRPVWTQSA-N 0 0 185.267 1.343 10 0 ADAERN C[C@]1(C2CCCC2)C[NH2+]C[C@@H]1C(=O)[O-] 68949588 343416597 /nfs/dbraw/zinc/41/65/97/343416597.db2.gz NRHKWCGNUGAADK-MWLCHTKSSA-N 0 0 197.278 1.487 10 0 ADAERN CC[C@H](C)[C@]1(C)C[NH2+]C[C@@H]1C(=O)[O-] 68949380 343416621 /nfs/dbraw/zinc/41/66/21/343416621.db2.gz LMOHARKXTQWQEE-XKSSXDPKSA-N 0 0 185.267 1.343 10 0 ADAERN CC(C)C[C@]1(C)C[NH2+]C[C@H]1C(=O)[O-] 68949745 343416640 /nfs/dbraw/zinc/41/66/40/343416640.db2.gz BJDNSELERDQJQG-WCBMZHEXSA-N 0 0 185.267 1.343 10 0 ADAERN C[C@]1(C2CCCC2)C[NH2+]C[C@H]1C(=O)[O-] 68949593 343416656 /nfs/dbraw/zinc/41/66/56/343416656.db2.gz NRHKWCGNUGAADK-GXSJLCMTSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@@]1(C2CCCC2)C[NH2+]C[C@@H]1C(=O)[O-] 68949591 343416664 /nfs/dbraw/zinc/41/66/64/343416664.db2.gz NRHKWCGNUGAADK-KOLCDFICSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@@]1(C2CCCC2)C[NH2+]C[C@H]1C(=O)[O-] 68949594 343416678 /nfs/dbraw/zinc/41/66/78/343416678.db2.gz NRHKWCGNUGAADK-ONGXEEELSA-N 0 0 197.278 1.487 10 0 ADAERN CC(C)[C@@](C)(O)C1CCOCC1 68956072 343416982 /nfs/dbraw/zinc/41/69/82/343416982.db2.gz UFQOFAQIWDSWHD-SNVBAGLBSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)[C@](C)(O)C1CCOCC1 68956070 343417087 /nfs/dbraw/zinc/41/70/87/343417087.db2.gz UFQOFAQIWDSWHD-JTQLQIEISA-N 0 0 172.268 1.820 10 0 ADAERN Oc1cccc(OC2CCOCC2)c1 68955649 343417105 /nfs/dbraw/zinc/41/71/05/343417105.db2.gz PLQJJJNOHLKMLP-UHFFFAOYSA-N 0 0 194.230 1.950 10 0 ADAERN CC(C)(C)[C@@H](O)C1CCOCC1 68956385 343417472 /nfs/dbraw/zinc/41/74/72/343417472.db2.gz IFYKECFNJCZCPJ-VIFPVBQESA-N 0 0 172.268 1.820 10 0 ADAERN O=C(c1cnccn1)C1CCOCC1 68956616 343417475 /nfs/dbraw/zinc/41/74/75/343417475.db2.gz AHUIHKYAPASJHQ-UHFFFAOYSA-N 0 0 192.218 1.086 10 0 ADAERN CC[C@@H](C)[C@@H](O)C1CCOCC1 68956305 343417483 /nfs/dbraw/zinc/41/74/83/343417483.db2.gz NYSDTZNNUNXCBF-PSASIEDQSA-N 0 0 172.268 1.820 10 0 ADAERN O[C@@H](c1ccccn1)C1CCOCC1 68956252 343417511 /nfs/dbraw/zinc/41/75/11/343417511.db2.gz HTEQWWGJUCTGMJ-LLVKDONJSA-N 0 0 193.246 1.542 10 0 ADAERN O[C@@H](CC(F)(F)F)C1CCOCC1 68956788 343417519 /nfs/dbraw/zinc/41/75/19/343417519.db2.gz MBFYXQSPWNVSLY-ZETCQYMHSA-N 0 0 198.184 1.726 10 0 ADAERN O[C@H](CC(F)(F)F)C1CCOCC1 68956784 343417527 /nfs/dbraw/zinc/41/75/27/343417527.db2.gz MBFYXQSPWNVSLY-SSDOTTSWSA-N 0 0 198.184 1.726 10 0 ADAERN O=C(C[C@@H]1CCCO1)C1CCOCC1 68956579 343417530 /nfs/dbraw/zinc/41/75/30/343417530.db2.gz SQJOMYNCOYIVAJ-JTQLQIEISA-N 0 0 198.262 1.551 10 0 ADAERN O=C(c1ncccn1)C1CCOCC1 68956621 343417537 /nfs/dbraw/zinc/41/75/37/343417537.db2.gz BVEDVXAQPXWZGQ-UHFFFAOYSA-N 0 0 192.218 1.086 10 0 ADAERN CCCC(=O)C1CCOCC1 68956603 343417547 /nfs/dbraw/zinc/41/75/47/343417547.db2.gz RKWNIHYTAUEAHI-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN O=C(C[C@H]1CCCO1)C1CCOCC1 68956576 343417585 /nfs/dbraw/zinc/41/75/85/343417585.db2.gz SQJOMYNCOYIVAJ-SNVBAGLBSA-N 0 0 198.262 1.551 10 0 ADAERN CSC[C@@H](O)C1CCOCC1 68956852 343417587 /nfs/dbraw/zinc/41/75/87/343417587.db2.gz VXRYBHOKJRDMSA-MRVPVSSYSA-N 0 0 176.281 1.137 10 0 ADAERN CC(C)(C)[C@H](O)C1CCOCC1 68956383 343417601 /nfs/dbraw/zinc/41/76/01/343417601.db2.gz IFYKECFNJCZCPJ-SECBINFHSA-N 0 0 172.268 1.820 10 0 ADAERN O[C@@H](c1ccoc1)C1CCOCC1 68956316 343417610 /nfs/dbraw/zinc/41/76/10/343417610.db2.gz VAHDIOVBXZCEBQ-SNVBAGLBSA-N 0 0 182.219 1.740 10 0 ADAERN CC[C@H](C)[C@H](O)C1CCOCC1 68956304 343417613 /nfs/dbraw/zinc/41/76/13/343417613.db2.gz NYSDTZNNUNXCBF-WPRPVWTQSA-N 0 0 172.268 1.820 10 0 ADAERN O[C@H](c1ccoc1)C1CCOCC1 68956319 343417628 /nfs/dbraw/zinc/41/76/28/343417628.db2.gz VAHDIOVBXZCEBQ-JTQLQIEISA-N 0 0 182.219 1.740 10 0 ADAERN CC[C@H](C)[C@@H](O)C1CCOCC1 68956307 343417640 /nfs/dbraw/zinc/41/76/40/343417640.db2.gz NYSDTZNNUNXCBF-WCBMZHEXSA-N 0 0 172.268 1.820 10 0 ADAERN O[C@H](c1ccccn1)C1CCOCC1 68956255 343417647 /nfs/dbraw/zinc/41/76/47/343417647.db2.gz HTEQWWGJUCTGMJ-NSHDSACASA-N 0 0 193.246 1.542 10 0 ADAERN CC[C@@H](C)[C@H](O)C1CCOCC1 68956301 343417666 /nfs/dbraw/zinc/41/76/66/343417666.db2.gz NYSDTZNNUNXCBF-SCZZXKLOSA-N 0 0 172.268 1.820 10 0 ADAERN CSC[C@H](O)C1CCOCC1 68956848 343417688 /nfs/dbraw/zinc/41/76/88/343417688.db2.gz VXRYBHOKJRDMSA-QMMMGPOBSA-N 0 0 176.281 1.137 10 0 ADAERN CCc1nccn1C1CCOCC1 68958778 343417867 /nfs/dbraw/zinc/41/78/67/343417867.db2.gz HYNUPJLXGZYQPV-UHFFFAOYSA-N 0 0 180.251 1.797 10 0 ADAERN O=C1CCC[C@@H]1C1CCOCC1 68958296 343417914 /nfs/dbraw/zinc/41/79/14/343417914.db2.gz IWMFICZBBGATNQ-SECBINFHSA-N 0 0 168.236 1.782 10 0 ADAERN O=C1CCC[C@H]1C1CCOCC1 68958301 343417966 /nfs/dbraw/zinc/41/79/66/343417966.db2.gz IWMFICZBBGATNQ-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN c1cn(C2CCOCC2)cn1 68958769 343418038 /nfs/dbraw/zinc/41/80/38/343418038.db2.gz XIYXGNXFMBGEHT-UHFFFAOYSA-N 0 0 152.197 1.235 10 0 ADAERN Cc1nccn1C1CCOCC1 68958775 343418064 /nfs/dbraw/zinc/41/80/64/343418064.db2.gz OPESHVXVDUZHNK-UHFFFAOYSA-N 0 0 166.224 1.543 10 0 ADAERN C[C@H](O)c1cnn(C2CCOCC2)c1 68958654 343418075 /nfs/dbraw/zinc/41/80/75/343418075.db2.gz RQRFDEKLTWWIQG-QMMMGPOBSA-N 0 0 196.250 1.288 10 0 ADAERN C[C@@H](O)c1cnn(C2CCOCC2)c1 68958658 343418114 /nfs/dbraw/zinc/41/81/14/343418114.db2.gz RQRFDEKLTWWIQG-MRVPVSSYSA-N 0 0 196.250 1.288 10 0 ADAERN COC[C@](C)(O)c1ccoc1 68978946 343418226 /nfs/dbraw/zinc/41/82/26/343418226.db2.gz MFVXBKOBFLTXGG-QMMMGPOBSA-N 0 0 156.181 1.134 10 0 ADAERN OC1(c2ccco2)CCOCC1 68978983 343418248 /nfs/dbraw/zinc/41/82/48/343418248.db2.gz SYYPNIULYIXPJD-UHFFFAOYSA-N 0 0 168.192 1.278 10 0 ADAERN COC[C@@](C)(O)c1ccoc1 68978945 343418281 /nfs/dbraw/zinc/41/82/81/343418281.db2.gz MFVXBKOBFLTXGG-MRVPVSSYSA-N 0 0 156.181 1.134 10 0 ADAERN C[C@@](O)(c1ccco1)C1CC1 68978858 343418287 /nfs/dbraw/zinc/41/82/87/343418287.db2.gz IUXJSAAPYWAWQB-VIFPVBQESA-N 0 0 152.193 1.897 10 0 ADAERN O[C@H](c1ccco1)[C@H]1CCCOC1 68979285 343418296 /nfs/dbraw/zinc/41/82/96/343418296.db2.gz CIYAHPVWTNRMRH-WPRPVWTQSA-N 0 0 182.219 1.740 10 0 ADAERN C[C@](O)(c1ccoc1)C1CC1 68978856 343418300 /nfs/dbraw/zinc/41/83/00/343418300.db2.gz KFERAVNIWMTIHU-SECBINFHSA-N 0 0 152.193 1.897 10 0 ADAERN O[C@@H](c1ccoc1)c1ccccn1 68979091 343418326 /nfs/dbraw/zinc/41/83/26/343418326.db2.gz DDSMCIHLMYJKHM-JTQLQIEISA-N 0 0 175.187 1.756 10 0 ADAERN O[C@H](c1ccco1)[C@@H]1CCCOC1 68979280 343418387 /nfs/dbraw/zinc/41/83/87/343418387.db2.gz CIYAHPVWTNRMRH-SCZZXKLOSA-N 0 0 182.219 1.740 10 0 ADAERN OC1(c2ccoc2)CCOCC1 68978980 343418390 /nfs/dbraw/zinc/41/83/90/343418390.db2.gz SBTGMMQCSKCBMX-UHFFFAOYSA-N 0 0 168.192 1.278 10 0 ADAERN C[C@@](O)(c1ccoc1)C1CC1 68978854 343418422 /nfs/dbraw/zinc/41/84/22/343418422.db2.gz KFERAVNIWMTIHU-VIFPVBQESA-N 0 0 152.193 1.897 10 0 ADAERN O[C@@H](c1ccco1)[C@H]1CCCOC1 68979282 343418482 /nfs/dbraw/zinc/41/84/82/343418482.db2.gz CIYAHPVWTNRMRH-WCBMZHEXSA-N 0 0 182.219 1.740 10 0 ADAERN O[C@H](c1ccoc1)c1ccccn1 68979090 343418507 /nfs/dbraw/zinc/41/85/07/343418507.db2.gz DDSMCIHLMYJKHM-SNVBAGLBSA-N 0 0 175.187 1.756 10 0 ADAERN C[C@](O)(c1ccco1)C1CC1 68978861 343418511 /nfs/dbraw/zinc/41/85/11/343418511.db2.gz IUXJSAAPYWAWQB-SECBINFHSA-N 0 0 152.193 1.897 10 0 ADAERN O=C(c1ccoc1)c1ccccn1 68979375 343418640 /nfs/dbraw/zinc/41/86/40/343418640.db2.gz ZMRKBZOKPHZCIY-UHFFFAOYSA-N 0 0 173.171 1.906 10 0 ADAERN O=C(c1ccncc1)c1ccoc1 68979379 343418649 /nfs/dbraw/zinc/41/86/49/343418649.db2.gz CEAJMRSDVNYAOT-UHFFFAOYSA-N 0 0 173.171 1.906 10 0 ADAERN O[C@H](Cc1ccncc1)c1ccco1 68979533 343418667 /nfs/dbraw/zinc/41/86/67/343418667.db2.gz SNSYDDKJVUDPLM-SNVBAGLBSA-N 0 0 189.214 1.951 10 0 ADAERN N[C@@H](c1ncccn1)c1ccco1 68979679 343418668 /nfs/dbraw/zinc/41/86/68/343418668.db2.gz NGTKZAYWVMLBGO-MRVPVSSYSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@@H](c1cnccn1)c1ccco1 68979671 343418679 /nfs/dbraw/zinc/41/86/79/343418679.db2.gz SQRAJKCRKPFZCZ-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN CN[C@H](c1ccoc1)c1cnccn1 68979790 343418701 /nfs/dbraw/zinc/41/87/01/343418701.db2.gz QQFNRJVGIBFQEL-SNVBAGLBSA-N 0 0 189.218 1.378 10 0 ADAERN N[C@H](c1ncccn1)c1ccco1 68979677 343418707 /nfs/dbraw/zinc/41/87/07/343418707.db2.gz NGTKZAYWVMLBGO-QMMMGPOBSA-N 0 0 175.191 1.118 10 0 ADAERN CN[C@H](c1ccccn1)c1ccco1 68979687 343418712 /nfs/dbraw/zinc/41/87/12/343418712.db2.gz WZQQAXRZVHLBKU-LLVKDONJSA-N 0 0 188.230 1.983 10 0 ADAERN N[C@@H](c1ccoc1)c1ncccn1 68979676 343418723 /nfs/dbraw/zinc/41/87/23/343418723.db2.gz ZNEDXBZTLPSXDH-QMMMGPOBSA-N 0 0 175.191 1.118 10 0 ADAERN CN[C@@H](c1ccoc1)c1ncccn1 68979814 343418780 /nfs/dbraw/zinc/41/87/80/343418780.db2.gz ZSEDLMQCOOHIKO-VIFPVBQESA-N 0 0 189.218 1.378 10 0 ADAERN N[C@@H](c1ccoc1)c1ccccn1 68979632 343418803 /nfs/dbraw/zinc/41/88/03/343418803.db2.gz WGXJXPQQFKAWTR-JTQLQIEISA-N 0 0 174.203 1.723 10 0 ADAERN O[C@@H](Cc1ccncc1)c1ccco1 68979534 343418809 /nfs/dbraw/zinc/41/88/09/343418809.db2.gz SNSYDDKJVUDPLM-JTQLQIEISA-N 0 0 189.214 1.951 10 0 ADAERN COCC(=O)c1ccoc1 68979401 343418812 /nfs/dbraw/zinc/41/88/12/343418812.db2.gz FMRKPLQHARHCBI-UHFFFAOYSA-N 0 0 140.138 1.109 10 0 ADAERN N[C@@H](c1ccoc1)c1cnccn1 68979666 343418813 /nfs/dbraw/zinc/41/88/13/343418813.db2.gz SDRFJNGENSMUKA-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN O[C@@H](Cc1ccccn1)c1ccco1 68979461 343418819 /nfs/dbraw/zinc/41/88/19/343418819.db2.gz YXADQIZKBDOMEM-JTQLQIEISA-N 0 0 189.214 1.951 10 0 ADAERN CN[C@@H](c1ccoc1)c1cnccn1 68979789 343418826 /nfs/dbraw/zinc/41/88/26/343418826.db2.gz QQFNRJVGIBFQEL-JTQLQIEISA-N 0 0 189.218 1.378 10 0 ADAERN CN[C@@H](c1ncccn1)c1ccco1 68979822 343418852 /nfs/dbraw/zinc/41/88/52/343418852.db2.gz LTZNSSQQRMZIIX-SECBINFHSA-N 0 0 189.218 1.378 10 0 ADAERN O=C(c1ccoc1)c1cnccn1 68979388 343418866 /nfs/dbraw/zinc/41/88/66/343418866.db2.gz KYZSYUYIEMPCRG-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN O[C@H](c1ncccn1)c1ccco1 68979475 343418876 /nfs/dbraw/zinc/41/88/76/343418876.db2.gz UXAUGRSHJONESJ-QMMMGPOBSA-N 0 0 176.175 1.151 10 0 ADAERN N[C@H](c1ccoc1)c1cnccn1 68979667 343418890 /nfs/dbraw/zinc/41/88/90/343418890.db2.gz SDRFJNGENSMUKA-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@H](c1ccoc1)c1ncccn1 68979672 343418910 /nfs/dbraw/zinc/41/89/10/343418910.db2.gz ZNEDXBZTLPSXDH-MRVPVSSYSA-N 0 0 175.191 1.118 10 0 ADAERN O[C@H](c1ccoc1)c1cnccn1 68979465 343418927 /nfs/dbraw/zinc/41/89/27/343418927.db2.gz OARWKMGWTDSJNX-SECBINFHSA-N 0 0 176.175 1.151 10 0 ADAERN O[C@@H](c1ccoc1)c1cnccn1 68979464 343418931 /nfs/dbraw/zinc/41/89/31/343418931.db2.gz OARWKMGWTDSJNX-VIFPVBQESA-N 0 0 176.175 1.151 10 0 ADAERN O=C(c1ccoc1)c1ncccn1 68979391 343418946 /nfs/dbraw/zinc/41/89/46/343418946.db2.gz HTPMMICKWZHYMF-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN CN[C@H](c1ncccn1)c1ccco1 68979820 343418964 /nfs/dbraw/zinc/41/89/64/343418964.db2.gz LTZNSSQQRMZIIX-VIFPVBQESA-N 0 0 189.218 1.378 10 0 ADAERN O=C(c1cccnc1)c1ccoc1 68979377 343419013 /nfs/dbraw/zinc/41/90/13/343419013.db2.gz GVZCSEARVBAGDX-UHFFFAOYSA-N 0 0 173.171 1.906 10 0 ADAERN O[C@@H](c1ncccn1)c1ccco1 68979477 343419022 /nfs/dbraw/zinc/41/90/22/343419022.db2.gz UXAUGRSHJONESJ-MRVPVSSYSA-N 0 0 176.175 1.151 10 0 ADAERN N[C@H](c1cnccn1)c1ccco1 68979669 343419025 /nfs/dbraw/zinc/41/90/25/343419025.db2.gz SQRAJKCRKPFZCZ-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@H](c1ccoc1)c1ccccn1 68979630 343419037 /nfs/dbraw/zinc/41/90/37/343419037.db2.gz WGXJXPQQFKAWTR-SNVBAGLBSA-N 0 0 174.203 1.723 10 0 ADAERN CN[C@H](c1ccoc1)c1ncccn1 68979817 343419075 /nfs/dbraw/zinc/41/90/75/343419075.db2.gz ZSEDLMQCOOHIKO-SECBINFHSA-N 0 0 189.218 1.378 10 0 ADAERN O[C@H]1CCCC[C@H]1Oc1cccnc1 68983454 343419178 /nfs/dbraw/zinc/41/91/78/343419178.db2.gz SZQRPVDGOZGDKM-WDEREUQCSA-N 0 0 193.246 1.764 10 0 ADAERN O[C@H]1CCC[C@H]1Oc1cccnc1 68983468 343419182 /nfs/dbraw/zinc/41/91/82/343419182.db2.gz GYFKKSRQUXOKEO-VHSXEESVSA-N 0 0 179.219 1.374 10 0 ADAERN O[C@@H]1CCCC[C@H]1Oc1cccnc1 68983464 343419219 /nfs/dbraw/zinc/41/92/19/343419219.db2.gz SZQRPVDGOZGDKM-GHMZBOCLSA-N 0 0 193.246 1.764 10 0 ADAERN CC(C)(O)COc1cccnc1 68983510 343419262 /nfs/dbraw/zinc/41/92/62/343419262.db2.gz FNMMLEVOKKSAGE-UHFFFAOYSA-N 0 0 167.208 1.231 10 0 ADAERN O[C@H]1CCCC[C@@H]1Oc1cccnc1 68983459 343419267 /nfs/dbraw/zinc/41/92/67/343419267.db2.gz SZQRPVDGOZGDKM-QWRGUYRKSA-N 0 0 193.246 1.764 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Oc1cccnc1 68983465 343419305 /nfs/dbraw/zinc/41/93/05/343419305.db2.gz SZQRPVDGOZGDKM-MNOVXSKESA-N 0 0 193.246 1.764 10 0 ADAERN O[C@H]1CCC[C@@H]1Oc1cccnc1 68983472 343419332 /nfs/dbraw/zinc/41/93/32/343419332.db2.gz GYFKKSRQUXOKEO-UWVGGRQHSA-N 0 0 179.219 1.374 10 0 ADAERN O[C@@H]1CCC[C@H]1Oc1cccnc1 68983476 343419352 /nfs/dbraw/zinc/41/93/52/343419352.db2.gz GYFKKSRQUXOKEO-NXEZZACHSA-N 0 0 179.219 1.374 10 0 ADAERN O[C@@H]1CCC[C@@H]1Oc1cccnc1 68983479 343419376 /nfs/dbraw/zinc/41/93/76/343419376.db2.gz GYFKKSRQUXOKEO-ZJUUUORDSA-N 0 0 179.219 1.374 10 0 ADAERN COCc1c(C)nc2ccc(N)cn12 68985093 343419610 /nfs/dbraw/zinc/41/96/10/343419610.db2.gz WOUFQNNNYRPEPN-UHFFFAOYSA-N 0 0 191.234 1.371 10 0 ADAERN Nc1ccc2nc(C3CC3)cn2c1 68985104 343419683 /nfs/dbraw/zinc/41/96/83/343419683.db2.gz USWVPWKMZUKXSE-UHFFFAOYSA-N 0 0 173.219 1.794 10 0 ADAERN Cc1nc(CC[C@H]2CCCCO2)n[nH]1 68992049 343419986 /nfs/dbraw/zinc/41/99/86/343419986.db2.gz FEVYKQXXKOCNGJ-SECBINFHSA-N 0 0 195.266 1.615 10 0 ADAERN Nc1nnc(CC[C@H]2CCCCO2)o1 68991436 343420000 /nfs/dbraw/zinc/42/00/00/343420000.db2.gz ZSAMEEBOYKGZBA-SSDOTTSWSA-N 0 0 197.238 1.154 10 0 ADAERN Nc1noc(CC[C@H]2CCCCO2)n1 68992764 343420072 /nfs/dbraw/zinc/42/00/72/343420072.db2.gz MXIXDMQDHHPWTL-SSDOTTSWSA-N 0 0 197.238 1.154 10 0 ADAERN Nc1nnc(CC[C@@H]2CCCCO2)o1 68991432 343420084 /nfs/dbraw/zinc/42/00/84/343420084.db2.gz ZSAMEEBOYKGZBA-ZETCQYMHSA-N 0 0 197.238 1.154 10 0 ADAERN Nc1cc(CC[C@@H]2CCCCO2)no1 68991964 343420099 /nfs/dbraw/zinc/42/00/99/343420099.db2.gz BPLDSPHHZQJLRC-VIFPVBQESA-N 0 0 196.250 1.759 10 0 ADAERN Nc1cc(CC[C@H]2CCCCO2)no1 68991968 343420102 /nfs/dbraw/zinc/42/01/02/343420102.db2.gz BPLDSPHHZQJLRC-SECBINFHSA-N 0 0 196.250 1.759 10 0 ADAERN Nc1noc(CC[C@@H]2CCCCO2)n1 68992760 343420184 /nfs/dbraw/zinc/42/01/84/343420184.db2.gz MXIXDMQDHHPWTL-ZETCQYMHSA-N 0 0 197.238 1.154 10 0 ADAERN Cc1nc(CC[C@@H]2CCCCO2)n[nH]1 68992045 343420211 /nfs/dbraw/zinc/42/02/11/343420211.db2.gz FEVYKQXXKOCNGJ-VIFPVBQESA-N 0 0 195.266 1.615 10 0 ADAERN CSCCNc1ccc(N)nc1 68995912 343420218 /nfs/dbraw/zinc/42/02/18/343420218.db2.gz GTIONGKBNWCPPW-UHFFFAOYSA-N 0 0 183.280 1.439 10 0 ADAERN CSCCNc1ccc(N)cn1 68995799 343420256 /nfs/dbraw/zinc/42/02/56/343420256.db2.gz BFKZLRGJNHHKDJ-UHFFFAOYSA-N 0 0 183.280 1.439 10 0 ADAERN CSCCNc1cccnn1 69012466 343420515 /nfs/dbraw/zinc/42/05/15/343420515.db2.gz GVUJCROAXWNKHW-UHFFFAOYSA-N 0 0 169.253 1.252 10 0 ADAERN CCC(C)(C)N(C)C(N)=S 69000722 343420603 /nfs/dbraw/zinc/42/06/03/343420603.db2.gz ALDLQQZRBABRMO-UHFFFAOYSA-N 0 0 160.286 1.350 10 0 ADAERN CSCCn1cn[nH]c1=S 69013607 343420856 /nfs/dbraw/zinc/42/08/56/343420856.db2.gz XFMMYLYEYKPUPR-UHFFFAOYSA-N 0 0 175.282 1.304 10 0 ADAERN CSCCNc1ccncn1 69012605 343420908 /nfs/dbraw/zinc/42/09/08/343420908.db2.gz OTKAZTQNVKDDMA-UHFFFAOYSA-N 0 0 169.253 1.252 10 0 ADAERN CSCCCNCC(F)F 69001456 343420923 /nfs/dbraw/zinc/42/09/23/343420923.db2.gz XIKMETHDSLLHAC-UHFFFAOYSA-N 0 0 169.240 1.594 10 0 ADAERN CSCCn1cc[nH]c1=S 69013344 343420927 /nfs/dbraw/zinc/42/09/27/343420927.db2.gz PVSRVUASNUCHNU-UHFFFAOYSA-N 0 0 174.294 1.909 10 0 ADAERN Cn1nccc1C1(O)CCCC1 69018982 343421018 /nfs/dbraw/zinc/42/10/18/343421018.db2.gz VGWVFEAZSNSWRM-UHFFFAOYSA-N 0 0 166.224 1.182 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1ccnn1C 69019097 343421031 /nfs/dbraw/zinc/42/10/31/343421031.db2.gz JUMAMSAQPXBZJR-WCBMZHEXSA-N 0 0 182.267 1.674 10 0 ADAERN Cn1nccc1[C@H](O)C1CCCC1 69019489 343421041 /nfs/dbraw/zinc/42/10/41/343421041.db2.gz FNFTURSAMWAPGR-SNVBAGLBSA-N 0 0 180.251 1.644 10 0 ADAERN CSCCn1cnnc1Cl 69015175 343421049 /nfs/dbraw/zinc/42/10/49/343421049.db2.gz UWQXFAPGMRYDKH-UHFFFAOYSA-N 0 0 177.660 1.295 10 0 ADAERN CSCCn1c(C)nnc1Cl 69015179 343421065 /nfs/dbraw/zinc/42/10/65/343421065.db2.gz UVRRBHQDMFTYFO-UHFFFAOYSA-N 0 0 191.687 1.603 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)c1ccnn1C 69018977 343421069 /nfs/dbraw/zinc/42/10/69/343421069.db2.gz BPIUKLMETXAOMR-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN CCC(O)(CC)c1ccnn1C 69019060 343421074 /nfs/dbraw/zinc/42/10/74/343421074.db2.gz UHOLSARBDCGFII-UHFFFAOYSA-N 0 0 168.240 1.428 10 0 ADAERN C[C@H]1CCC[C@](O)(c2ccnn2C)C1 69018949 343421098 /nfs/dbraw/zinc/42/10/98/343421098.db2.gz UADDHENYBCGFPH-GXSJLCMTSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)c1ccnn1C 69018973 343421101 /nfs/dbraw/zinc/42/11/01/343421101.db2.gz BPIUKLMETXAOMR-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN Cn1nccc1[C@@H](O)C1CCCC1 69019492 343421119 /nfs/dbraw/zinc/42/11/19/343421119.db2.gz FNFTURSAMWAPGR-JTQLQIEISA-N 0 0 180.251 1.644 10 0 ADAERN Cn1nccc1C1(O)CCCCC1 69018944 343421123 /nfs/dbraw/zinc/42/11/23/343421123.db2.gz CZFBWOCAGHHASE-UHFFFAOYSA-N 0 0 180.251 1.572 10 0 ADAERN C[C@H]1CCC[C@@](O)(c2ccnn2C)C1 69018953 343421159 /nfs/dbraw/zinc/42/11/59/343421159.db2.gz UADDHENYBCGFPH-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN Cn1nccc1C1(O)CCCCCC1 69018984 343421203 /nfs/dbraw/zinc/42/12/03/343421203.db2.gz QCCATCXHZXUKOQ-UHFFFAOYSA-N 0 0 194.278 1.962 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1ccnn1C 69019087 343421206 /nfs/dbraw/zinc/42/12/06/343421206.db2.gz JUMAMSAQPXBZJR-WPRPVWTQSA-N 0 0 182.267 1.674 10 0 ADAERN C[C@@H]1CCC[C@](O)(c2ccnn2C)C1 69018946 343421209 /nfs/dbraw/zinc/42/12/09/343421209.db2.gz UADDHENYBCGFPH-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@](C)(O)c1ccnn1C 69019056 343421233 /nfs/dbraw/zinc/42/12/33/343421233.db2.gz QPPDOKKEFIFRTF-QMMMGPOBSA-N 0 0 154.213 1.038 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1ccnn1C 69019090 343421237 /nfs/dbraw/zinc/42/12/37/343421237.db2.gz JUMAMSAQPXBZJR-PSASIEDQSA-N 0 0 182.267 1.674 10 0 ADAERN C[C@@H]1CCC[C@@](O)(c2ccnn2C)C1 69018950 343421248 /nfs/dbraw/zinc/42/12/48/343421248.db2.gz UADDHENYBCGFPH-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1ccnn1C 69019084 343421259 /nfs/dbraw/zinc/42/12/59/343421259.db2.gz JUMAMSAQPXBZJR-SCZZXKLOSA-N 0 0 182.267 1.674 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)c1ccnn1C 69018980 343421262 /nfs/dbraw/zinc/42/12/62/343421262.db2.gz BPIUKLMETXAOMR-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@H]1CCCC[C@]1(O)c1ccnn1C 69018976 343421263 /nfs/dbraw/zinc/42/12/63/343421263.db2.gz BPIUKLMETXAOMR-GXSJLCMTSA-N 0 0 194.278 1.818 10 0 ADAERN CC(C)[C@](C)(O)c1ccnn1C 69019062 343421265 /nfs/dbraw/zinc/42/12/65/343421265.db2.gz PRCRVHLOZUZQDB-VIFPVBQESA-N 0 0 168.240 1.284 10 0 ADAERN CC1CCC(O)(c2ccnn2C)CC1 69018961 343421274 /nfs/dbraw/zinc/42/12/74/343421274.db2.gz DHAKVDIFYUQCLM-UHFFFAOYSA-N 0 0 194.278 1.818 10 0 ADAERN CC(C)[C@@](C)(O)c1ccnn1C 69019063 343421300 /nfs/dbraw/zinc/42/13/00/343421300.db2.gz PRCRVHLOZUZQDB-SECBINFHSA-N 0 0 168.240 1.284 10 0 ADAERN CC[C@@](C)(O)c1ccnn1C 69019058 343421323 /nfs/dbraw/zinc/42/13/23/343421323.db2.gz QPPDOKKEFIFRTF-MRVPVSSYSA-N 0 0 154.213 1.038 10 0 ADAERN Cn1nccc1[C@@H](O)C[C@H]1CCCO1 69019907 343421450 /nfs/dbraw/zinc/42/14/50/343421450.db2.gz NJYRYEXPHOMTJK-SCZZXKLOSA-N 0 0 196.250 1.023 10 0 ADAERN Cn1nccc1C(=O)C1CCCC1 69019706 343421462 /nfs/dbraw/zinc/42/14/62/343421462.db2.gz BUNNYNQXJVISEA-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN CC(C)CC(=O)c1ccnn1C 69019669 343421481 /nfs/dbraw/zinc/42/14/81/343421481.db2.gz XPJFUURCIONWRV-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN Cn1nccc1C(=O)c1cccs1 69019625 343421483 /nfs/dbraw/zinc/42/14/83/343421483.db2.gz XITIVGSAOYKURU-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1nccc1[C@H](O)C[C@H]1CCCO1 69019904 343421500 /nfs/dbraw/zinc/42/15/00/343421500.db2.gz NJYRYEXPHOMTJK-PSASIEDQSA-N 0 0 196.250 1.023 10 0 ADAERN Cn1nccc1C(=O)c1ccsc1 69019647 343421504 /nfs/dbraw/zinc/42/15/04/343421504.db2.gz OUZPHEIVHKFIQQ-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1nccc1[C@H](O)CC(C)(C)C 69019605 343421512 /nfs/dbraw/zinc/42/15/12/343421512.db2.gz QFBLERBBUDHBGU-SECBINFHSA-N 0 0 182.267 1.890 10 0 ADAERN CCC[C@@H](O)c1ccnn1C 69019511 343421517 /nfs/dbraw/zinc/42/15/17/343421517.db2.gz QXLIZWQPORTNLK-MRVPVSSYSA-N 0 0 154.213 1.254 10 0 ADAERN CC(C)C[C@H](O)c1ccnn1C 69019514 343421530 /nfs/dbraw/zinc/42/15/30/343421530.db2.gz WKIHEOBLDXYSHC-VIFPVBQESA-N 0 0 168.240 1.500 10 0 ADAERN CCC[C@H](O)c1ccnn1C 69019508 343421532 /nfs/dbraw/zinc/42/15/32/343421532.db2.gz QXLIZWQPORTNLK-QMMMGPOBSA-N 0 0 154.213 1.254 10 0 ADAERN Cn1nccc1C(=O)C1CC1 69019690 343421538 /nfs/dbraw/zinc/42/15/38/343421538.db2.gz MPPBXJHDPVBKSS-UHFFFAOYSA-N 0 0 150.181 1.013 10 0 ADAERN Cn1nccc1C(=O)C(F)(F)F 69019849 343421542 /nfs/dbraw/zinc/42/15/42/343421542.db2.gz ZFVQTHNABSLHKG-UHFFFAOYSA-N 0 0 178.113 1.165 10 0 ADAERN Cn1nccc1C(=O)c1ccncc1 69019644 343421556 /nfs/dbraw/zinc/42/15/56/343421556.db2.gz RJAURDHAIAGWLX-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN CC(C)C(=O)c1ccnn1C 69019672 343421561 /nfs/dbraw/zinc/42/15/61/343421561.db2.gz LUIQGYZWOHDPGA-UHFFFAOYSA-N 0 0 152.197 1.259 10 0 ADAERN Cn1nccc1[C@H](O)C[C@@H]1CCCO1 69019898 343421563 /nfs/dbraw/zinc/42/15/63/343421563.db2.gz NJYRYEXPHOMTJK-WCBMZHEXSA-N 0 0 196.250 1.023 10 0 ADAERN Cn1nccc1-c1ccc(N)c(F)c1 69019992 343421582 /nfs/dbraw/zinc/42/15/82/343421582.db2.gz OPCXGUGWWGLUHJ-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN CC(C)C[C@@H](O)c1ccnn1C 69019517 343421585 /nfs/dbraw/zinc/42/15/85/343421585.db2.gz WKIHEOBLDXYSHC-SECBINFHSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1nccc1-c1cnc(N)s1 69019958 343421587 /nfs/dbraw/zinc/42/15/87/343421587.db2.gz DMOUYOXDHZUOEQ-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cc1cc(-c2ccnn2C)ccc1N 69019948 343421621 /nfs/dbraw/zinc/42/16/21/343421621.db2.gz LFBUKQSOHDYSDQ-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC[C@H](C)C(=O)c1ccnn1C 69019869 343421643 /nfs/dbraw/zinc/42/16/43/343421643.db2.gz LOUFQFUCMDHDAT-ZETCQYMHSA-N 0 0 166.224 1.649 10 0 ADAERN Cc1ccc(N)c(-c2ccnn2C)c1 69019918 343421657 /nfs/dbraw/zinc/42/16/57/343421657.db2.gz QXDBUXSKSLISNF-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CCCC(=O)c1ccnn1C 69019687 343421658 /nfs/dbraw/zinc/42/16/58/343421658.db2.gz HKVRXEMLRBAGLP-UHFFFAOYSA-N 0 0 152.197 1.403 10 0 ADAERN CC[C@@H](C)C(=O)c1ccnn1C 69019866 343421668 /nfs/dbraw/zinc/42/16/68/343421668.db2.gz LOUFQFUCMDHDAT-SSDOTTSWSA-N 0 0 166.224 1.649 10 0 ADAERN Cn1nccc1C(=O)C(C)(C)C 69019695 343421702 /nfs/dbraw/zinc/42/17/02/343421702.db2.gz LGBJCRJUIFKNMQ-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN Cn1nccc1-c1cccc(N)n1 69019928 343421710 /nfs/dbraw/zinc/42/17/10/343421710.db2.gz YCCHYMYPPVULII-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1nccc1[C@@H](O)CC(C)(C)C 69019602 343421713 /nfs/dbraw/zinc/42/17/13/343421713.db2.gz QFBLERBBUDHBGU-VIFPVBQESA-N 0 0 182.267 1.890 10 0 ADAERN Cn1nccc1-c1cc(F)ccc1N 69019979 343421715 /nfs/dbraw/zinc/42/17/15/343421715.db2.gz LKDJDXJUGQJDJD-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cn1nccc1C(=O)c1ccccn1 69019641 343421718 /nfs/dbraw/zinc/42/17/18/343421718.db2.gz SFLHAVBPJJTFJE-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN Cn1nccc1-c1ccc(N)nc1 69019916 343421729 /nfs/dbraw/zinc/42/17/29/343421729.db2.gz QIVCHQNOMSEZGE-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cn1nccc1C(=O)c1cccnc1 69019642 343421736 /nfs/dbraw/zinc/42/17/36/343421736.db2.gz JNGPRTXOGYQHFE-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN CCn1nccc1C1(O)CCCC1 69022544 343421902 /nfs/dbraw/zinc/42/19/02/343421902.db2.gz JDICYYKNVFRSPA-UHFFFAOYSA-N 0 0 180.251 1.665 10 0 ADAERN Cn1nccc1[C@@H](N)c1ccco1 69021555 343421878 /nfs/dbraw/zinc/42/18/78/343421878.db2.gz XFHXKBIYHRNLRG-SECBINFHSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1nccc1[C@H](N)c1ccco1 69021552 343421894 /nfs/dbraw/zinc/42/18/94/343421894.db2.gz XFHXKBIYHRNLRG-VIFPVBQESA-N 0 0 177.207 1.061 10 0 ADAERN CCn1nccc1[C@H](O)c1ccoc1 69023366 343421917 /nfs/dbraw/zinc/42/19/17/343421917.db2.gz XELPFNRTBXTTFR-SNVBAGLBSA-N 0 0 192.218 1.578 10 0 ADAERN CCn1nccc1[C@@](C)(O)C(C)C 69022628 343421920 /nfs/dbraw/zinc/42/19/20/343421920.db2.gz JNBHFFPDLPQLJH-JTQLQIEISA-N 0 0 182.267 1.767 10 0 ADAERN Cn1nccc1[C@@H]1CCCCC[C@@H]1O 69021883 343421929 /nfs/dbraw/zinc/42/19/29/343421929.db2.gz VDFJLVDITYIVQX-ONGXEEELSA-N 0 0 194.278 1.829 10 0 ADAERN Cn1nccc1[C@H]1CCCC1=O 69021928 343421956 /nfs/dbraw/zinc/42/19/56/343421956.db2.gz KHWDEAVFOOURPH-SSDOTTSWSA-N 0 0 164.208 1.257 10 0 ADAERN CCn1nccc1C(C)(C)O 69022596 343421977 /nfs/dbraw/zinc/42/19/77/343421977.db2.gz SHVRITCRGJEPTI-UHFFFAOYSA-N 0 0 154.213 1.130 10 0 ADAERN CN[C@@H](c1ccco1)c1ccnn1C 69021563 343421982 /nfs/dbraw/zinc/42/19/82/343421982.db2.gz UZBGENLKGHAQJD-SNVBAGLBSA-N 0 0 191.234 1.322 10 0 ADAERN Cn1nccc1[C@H]1CCCCC[C@H]1O 69021894 343422004 /nfs/dbraw/zinc/42/20/04/343422004.db2.gz VDFJLVDITYIVQX-MWLCHTKSSA-N 0 0 194.278 1.829 10 0 ADAERN CCCn1nccc1C(C)(C)O 69022592 343422027 /nfs/dbraw/zinc/42/20/27/343422027.db2.gz OCZDGDLVOCEHSU-UHFFFAOYSA-N 0 0 168.240 1.521 10 0 ADAERN Cn1nccc1[C@@H]1CCCC1=O 69021925 343422043 /nfs/dbraw/zinc/42/20/43/343422043.db2.gz KHWDEAVFOOURPH-ZETCQYMHSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1nccc1[C@@H]1CCCCC[C@H]1O 69021892 343422046 /nfs/dbraw/zinc/42/20/46/343422046.db2.gz VDFJLVDITYIVQX-GXSJLCMTSA-N 0 0 194.278 1.829 10 0 ADAERN CCn1nccc1[C@@H](O)c1ccoc1 69023371 343422074 /nfs/dbraw/zinc/42/20/74/343422074.db2.gz XELPFNRTBXTTFR-JTQLQIEISA-N 0 0 192.218 1.578 10 0 ADAERN CCCn1nccc1[C@@H](C)O 69023561 343422077 /nfs/dbraw/zinc/42/20/77/343422077.db2.gz LAFQLKRWXNNVDK-SSDOTTSWSA-N 0 0 154.213 1.346 10 0 ADAERN CN[C@H](c1ccco1)c1ccnn1C 69021558 343422086 /nfs/dbraw/zinc/42/20/86/343422086.db2.gz UZBGENLKGHAQJD-JTQLQIEISA-N 0 0 191.234 1.322 10 0 ADAERN CCn1nccc1-c1cnc(N)s1 69022361 343422126 /nfs/dbraw/zinc/42/21/26/343422126.db2.gz KCDLGOWXFVRDND-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN CCn1nccc1-c1ccc(N)nc1 69022317 343422131 /nfs/dbraw/zinc/42/21/31/343422131.db2.gz AQBVDROGQJPBPS-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCn1nccc1[C@](C)(O)C(C)C 69022627 343422144 /nfs/dbraw/zinc/42/21/44/343422144.db2.gz JNBHFFPDLPQLJH-SNVBAGLBSA-N 0 0 182.267 1.767 10 0 ADAERN Cn1nccc1[C@H]1CCCCC[C@@H]1O 69021887 343422167 /nfs/dbraw/zinc/42/21/67/343422167.db2.gz VDFJLVDITYIVQX-KOLCDFICSA-N 0 0 194.278 1.829 10 0 ADAERN CCn1nccc1[C@@H]1CCCC[C@H]1O 69026656 343422310 /nfs/dbraw/zinc/42/23/10/343422310.db2.gz IROUDFGPLYOZCL-GXSJLCMTSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1nccc1[C@@H](O)C(F)(F)F 69024791 343422318 /nfs/dbraw/zinc/42/23/18/343422318.db2.gz XFRYJHQUYGRFDF-ZCFIWIBFSA-N 0 0 194.156 1.499 10 0 ADAERN CC1CCC(O)(c2nccn2C)CC1 69027563 343422321 /nfs/dbraw/zinc/42/23/21/343422321.db2.gz RCGGILYDOQWOBT-UHFFFAOYSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)c1nccn1C 69027619 343422336 /nfs/dbraw/zinc/42/23/36/343422336.db2.gz JKRRAROTQSVBDF-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN CCn1nccc1[C@H](O)C(C)(C)C 69023680 343422338 /nfs/dbraw/zinc/42/23/38/343422338.db2.gz SPHVVMWVUHONPG-VIFPVBQESA-N 0 0 182.267 1.983 10 0 ADAERN CCCn1nccc1[C@H]1CCC[C@@H]1O 69026707 343422345 /nfs/dbraw/zinc/42/23/45/343422345.db2.gz ZZRRXUCIVHUYIQ-KOLCDFICSA-N 0 0 194.278 1.922 10 0 ADAERN CCCn1nccc1[C@H](C)O 69023564 343422348 /nfs/dbraw/zinc/42/23/48/343422348.db2.gz LAFQLKRWXNNVDK-ZETCQYMHSA-N 0 0 154.213 1.346 10 0 ADAERN CCn1nccc1[C@H]1CCCC[C@H]1O 69026659 343422359 /nfs/dbraw/zinc/42/23/59/343422359.db2.gz IROUDFGPLYOZCL-MWLCHTKSSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1nccc1[C@@H]1CCCC[C@@H]1O 69026649 343422364 /nfs/dbraw/zinc/42/23/64/343422364.db2.gz IROUDFGPLYOZCL-ONGXEEELSA-N 0 0 194.278 1.922 10 0 ADAERN CCCn1nccc1[C@@H]1CCC[C@@H]1O 69026702 343422382 /nfs/dbraw/zinc/42/23/82/343422382.db2.gz ZZRRXUCIVHUYIQ-ONGXEEELSA-N 0 0 194.278 1.922 10 0 ADAERN CCCn1nccc1C(C)=O 69024093 343422388 /nfs/dbraw/zinc/42/23/88/343422388.db2.gz NOTIYGVWPLJQPN-UHFFFAOYSA-N 0 0 152.197 1.496 10 0 ADAERN C[C@@H]1CCC[C@](O)(c2nccn2C)C1 69027525 343422390 /nfs/dbraw/zinc/42/23/90/343422390.db2.gz SWTRARJMVRVGNV-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@H]1CCC[C@@](O)(c2nccn2C)C1 69027541 343422395 /nfs/dbraw/zinc/42/23/95/343422395.db2.gz SWTRARJMVRVGNV-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@H]1CCCC[C@]1(O)c1nccn1C 69027624 343422400 /nfs/dbraw/zinc/42/24/00/343422400.db2.gz JKRRAROTQSVBDF-GXSJLCMTSA-N 0 0 194.278 1.818 10 0 ADAERN CCCn1nccc1[C@H]1CCC[C@H]1O 69026712 343422418 /nfs/dbraw/zinc/42/24/18/343422418.db2.gz ZZRRXUCIVHUYIQ-MWLCHTKSSA-N 0 0 194.278 1.922 10 0 ADAERN Cn1ccnc1[C@](C)(O)C1CC1 69027854 343422425 /nfs/dbraw/zinc/42/24/25/343422425.db2.gz XKCGPCAYKAAILD-SECBINFHSA-N 0 0 166.224 1.038 10 0 ADAERN CCn1nccc1[C@@H](O)C(C)(C)C 69023685 343422427 /nfs/dbraw/zinc/42/24/27/343422427.db2.gz SPHVVMWVUHONPG-SECBINFHSA-N 0 0 182.267 1.983 10 0 ADAERN CCn1nccc1[C@H](O)C(F)(F)F 69024788 343422430 /nfs/dbraw/zinc/42/24/30/343422430.db2.gz XFRYJHQUYGRFDF-LURJTMIESA-N 0 0 194.156 1.499 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1nccn1C 69027888 343422440 /nfs/dbraw/zinc/42/24/40/343422440.db2.gz UTOLOUASLPOVRF-WPRPVWTQSA-N 0 0 182.267 1.674 10 0 ADAERN CCn1nccc1[C@H]1CCCC[C@@H]1O 69026652 343422443 /nfs/dbraw/zinc/42/24/43/343422443.db2.gz IROUDFGPLYOZCL-KOLCDFICSA-N 0 0 194.278 1.922 10 0 ADAERN CCC(=O)c1ccnn1CC 69024070 343422451 /nfs/dbraw/zinc/42/24/51/343422451.db2.gz CBTKFWABWOBIMR-UHFFFAOYSA-N 0 0 152.197 1.496 10 0 ADAERN CCn1nccc1[C@H]1CCCC1=O 69026763 343422454 /nfs/dbraw/zinc/42/24/54/343422454.db2.gz BYPALIXHOSBYRY-MRVPVSSYSA-N 0 0 178.235 1.740 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)c1nccn1C 69027638 343422456 /nfs/dbraw/zinc/42/24/56/343422456.db2.gz JKRRAROTQSVBDF-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN CCn1nccc1C(=O)c1ccco1 69024303 343422459 /nfs/dbraw/zinc/42/24/59/343422459.db2.gz AUUUUPYYDQBEHR-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)c1nccn1C 69027630 343422462 /nfs/dbraw/zinc/42/24/62/343422462.db2.gz JKRRAROTQSVBDF-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN Cc1ccc(-c2nccn2C)cc1N 69027520 343422469 /nfs/dbraw/zinc/42/24/69/343422469.db2.gz CKMWNAAECYZFLC-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ccnc1-c1ccc(N)nc1 69027472 343422475 /nfs/dbraw/zinc/42/24/75/343422475.db2.gz LFQZGPWRPMUPON-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN C[C@@H]1CCC[C@@](O)(c2nccn2C)C1 69027535 343422493 /nfs/dbraw/zinc/42/24/93/343422493.db2.gz SWTRARJMVRVGNV-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN Cc1ccc(N)c(-c2nccn2C)c1 69027476 343422496 /nfs/dbraw/zinc/42/24/96/343422496.db2.gz VWFWTFRQEHRGTM-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C[C@H]1CCC[C@](O)(c2nccn2C)C1 69027530 343422501 /nfs/dbraw/zinc/42/25/01/343422501.db2.gz SWTRARJMVRVGNV-GXSJLCMTSA-N 0 0 194.278 1.818 10 0 ADAERN CCn1nccc1C(=O)C1CC1 69024118 343422504 /nfs/dbraw/zinc/42/25/04/343422504.db2.gz MLQFTOHAFTVXDD-UHFFFAOYSA-N 0 0 164.208 1.496 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1nccn1C 69027891 343422513 /nfs/dbraw/zinc/42/25/13/343422513.db2.gz UTOLOUASLPOVRF-PSASIEDQSA-N 0 0 182.267 1.674 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1nccn1C 69027896 343422517 /nfs/dbraw/zinc/42/25/17/343422517.db2.gz UTOLOUASLPOVRF-WCBMZHEXSA-N 0 0 182.267 1.674 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1nccn1C 69027881 343422525 /nfs/dbraw/zinc/42/25/25/343422525.db2.gz UTOLOUASLPOVRF-SCZZXKLOSA-N 0 0 182.267 1.674 10 0 ADAERN Cn1ccnc1-c1cc(F)ccc1N 69027646 343422535 /nfs/dbraw/zinc/42/25/35/343422535.db2.gz NAFHDXBZUOAWFN-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cn1ccnc1C1(O)CCCCCC1 69027664 343422559 /nfs/dbraw/zinc/42/25/59/343422559.db2.gz CHFOQRLGZQSBRN-UHFFFAOYSA-N 0 0 194.278 1.962 10 0 ADAERN Cn1ccnc1-c1cnc(N)s1 69027557 343422568 /nfs/dbraw/zinc/42/25/68/343422568.db2.gz MZHOIFRLNJURMB-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN CCCn1nccc1[C@@H]1CCC[C@H]1O 69026709 343422579 /nfs/dbraw/zinc/42/25/79/343422579.db2.gz ZZRRXUCIVHUYIQ-GXSJLCMTSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1nccc1[C@@H]1CCCC1=O 69026760 343422583 /nfs/dbraw/zinc/42/25/83/343422583.db2.gz BYPALIXHOSBYRY-QMMMGPOBSA-N 0 0 178.235 1.740 10 0 ADAERN Cn1ccnc1[C@@](C)(O)C1CC1 69027849 343422600 /nfs/dbraw/zinc/42/26/00/343422600.db2.gz XKCGPCAYKAAILD-VIFPVBQESA-N 0 0 166.224 1.038 10 0 ADAERN Cn1ccnc1C(=O)C[C@@H]1CCCO1 69028516 343422872 /nfs/dbraw/zinc/42/28/72/343422872.db2.gz URUABXZOPSMMBZ-QMMMGPOBSA-N 0 0 194.234 1.172 10 0 ADAERN Cn1ccnc1[C@H]1CCCCC[C@H]1O 69030015 343422874 /nfs/dbraw/zinc/42/28/74/343422874.db2.gz OYYNEPCIHYZPBI-VHSXEESVSA-N 0 0 194.278 1.829 10 0 ADAERN Cn1ccnc1[C@@H]1CCCC1=O 69030046 343422886 /nfs/dbraw/zinc/42/28/86/343422886.db2.gz RIRSTEXXLLPZQY-SSDOTTSWSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1ccnc1[C@H]1CCCCC1=O 69030041 343422896 /nfs/dbraw/zinc/42/28/96/343422896.db2.gz MEAZSZPLXTUCID-QMMMGPOBSA-N 0 0 178.235 1.647 10 0 ADAERN Cn1ccnc1[C@H]1CCCC1=O 69030052 343422903 /nfs/dbraw/zinc/42/29/03/343422903.db2.gz RIRSTEXXLLPZQY-ZETCQYMHSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1ccnc1[C@H](O)C1CCCC1 69028318 343422927 /nfs/dbraw/zinc/42/29/27/343422927.db2.gz ZVAWZAQLKPJLQL-SECBINFHSA-N 0 0 180.251 1.644 10 0 ADAERN CC[C@@H](C)[C@H](O)c1nccn1C 69028209 343422965 /nfs/dbraw/zinc/42/29/65/343422965.db2.gz FLHCHXQDMGFZKA-SFYZADRCSA-N 0 0 168.240 1.500 10 0 ADAERN CC[C@H](C)[C@@H](O)c1nccn1C 69028217 343422972 /nfs/dbraw/zinc/42/29/72/343422972.db2.gz FLHCHXQDMGFZKA-JGVFFNPUSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1ccnc1[C@H](O)CC(C)(C)C 69028509 343422991 /nfs/dbraw/zinc/42/29/91/343422991.db2.gz BRUJYIVWECPEMU-MRVPVSSYSA-N 0 0 182.267 1.890 10 0 ADAERN Cn1ccnc1[C@@H](O)CC(C)(C)C 69028505 343423003 /nfs/dbraw/zinc/42/30/03/343423003.db2.gz BRUJYIVWECPEMU-QMMMGPOBSA-N 0 0 182.267 1.890 10 0 ADAERN CCC[C@H](O)c1nccn1C 69028369 343423005 /nfs/dbraw/zinc/42/30/05/343423005.db2.gz FBXPRTWYPYHICU-ZETCQYMHSA-N 0 0 154.213 1.254 10 0 ADAERN CC(C)C[C@H](O)c1nccn1C 69028381 343423008 /nfs/dbraw/zinc/42/30/08/343423008.db2.gz WZJIHFOUBZYHAS-QMMMGPOBSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1ccnc1C(=O)C[C@H]1CCCO1 69028521 343423016 /nfs/dbraw/zinc/42/30/16/343423016.db2.gz URUABXZOPSMMBZ-MRVPVSSYSA-N 0 0 194.234 1.172 10 0 ADAERN Cn1ccnc1C(=O)CC(F)(F)F 69028534 343423017 /nfs/dbraw/zinc/42/30/17/343423017.db2.gz PLDWCGKIZRNSTH-UHFFFAOYSA-N 0 0 192.140 1.555 10 0 ADAERN Cn1ccnc1[C@@H](O)C1CCCC1 69028336 343423019 /nfs/dbraw/zinc/42/30/19/343423019.db2.gz ZVAWZAQLKPJLQL-VIFPVBQESA-N 0 0 180.251 1.644 10 0 ADAERN Cn1ccnc1[C@@H]1CCCCC[C@@H]1O 69030002 343423032 /nfs/dbraw/zinc/42/30/32/343423032.db2.gz OYYNEPCIHYZPBI-ZJUUUORDSA-N 0 0 194.278 1.829 10 0 ADAERN CC[C@H](C)C(=O)c1nccn1C 69028651 343423040 /nfs/dbraw/zinc/42/30/40/343423040.db2.gz BEAOYJPXKUHHGK-ZETCQYMHSA-N 0 0 166.224 1.649 10 0 ADAERN CC[C@H](C)[C@H](O)c1nccn1C 69028211 343423042 /nfs/dbraw/zinc/42/30/42/343423042.db2.gz FLHCHXQDMGFZKA-YUMQZZPRSA-N 0 0 168.240 1.500 10 0 ADAERN Cn1ccnc1-c1ccccc1C=O 69028023 343423050 /nfs/dbraw/zinc/42/30/50/343423050.db2.gz DBXNKFWWAUOQSO-UHFFFAOYSA-N 0 0 186.214 1.900 10 0 ADAERN Cn1ccnc1[C@@H]1CCCCC1=O 69030037 343423053 /nfs/dbraw/zinc/42/30/53/343423053.db2.gz MEAZSZPLXTUCID-MRVPVSSYSA-N 0 0 178.235 1.647 10 0 ADAERN Cn1ccnc1[C@@H](O)C(C)(C)C 69028485 343423064 /nfs/dbraw/zinc/42/30/64/343423064.db2.gz YWGKGXOCVOOJPM-SSDOTTSWSA-N 0 0 168.240 1.500 10 0 ADAERN CCn1ccnc1[C@](C)(O)C1CC1 69030994 343423298 /nfs/dbraw/zinc/42/32/98/343423298.db2.gz REBJMFUEIWYHJR-SNVBAGLBSA-N 0 0 180.251 1.521 10 0 ADAERN CCn1ccnc1[C@@H](O)C(C)C 69031619 343423322 /nfs/dbraw/zinc/42/33/22/343423322.db2.gz YHCDEAZVXVNBSL-QMMMGPOBSA-N 0 0 168.240 1.592 10 0 ADAERN CCn1ccnc1C(=O)C1CC1 69032205 343423335 /nfs/dbraw/zinc/42/33/35/343423335.db2.gz SBDGDCQKJMSCSC-UHFFFAOYSA-N 0 0 164.208 1.496 10 0 ADAERN CCn1ccnc1C1(O)CCCC1 69030919 343423350 /nfs/dbraw/zinc/42/33/50/343423350.db2.gz WECUVGLZXGQHOD-UHFFFAOYSA-N 0 0 180.251 1.665 10 0 ADAERN CCn1ccnc1-c1ccc(N)nc1 69030532 343423382 /nfs/dbraw/zinc/42/33/82/343423382.db2.gz NQXLYRASPVJDDF-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCn1ccnc1[C@H]1CCCC1=O 69048540 343423404 /nfs/dbraw/zinc/42/34/04/343423404.db2.gz ZMUXRTGQEBAKAP-QMMMGPOBSA-N 0 0 178.235 1.740 10 0 ADAERN CCCn1ccnc1[C@@H]1CCC[C@H]1O 69048520 343423410 /nfs/dbraw/zinc/42/34/10/343423410.db2.gz KPQVKLUDGGHNLX-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1ccnc1[C@H](O)C(F)(F)F 69032713 343423451 /nfs/dbraw/zinc/42/34/51/343423451.db2.gz UUGCRMLPMASSPX-YFKPBYRVSA-N 0 0 194.156 1.499 10 0 ADAERN CCn1ccnc1[C@@](C)(O)C1CC1 69030996 343423460 /nfs/dbraw/zinc/42/34/60/343423460.db2.gz REBJMFUEIWYHJR-JTQLQIEISA-N 0 0 180.251 1.521 10 0 ADAERN CCCn1ccnc1[C@H]1CCC[C@H]1O 69048521 343423481 /nfs/dbraw/zinc/42/34/81/343423481.db2.gz KPQVKLUDGGHNLX-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1ccnc1[C@@H](O)C1CC1 69031770 343423486 /nfs/dbraw/zinc/42/34/86/343423486.db2.gz ASTXGKXSPZPVKG-QMMMGPOBSA-N 0 0 166.224 1.346 10 0 ADAERN CCCn1ccnc1[C@H]1CCC[C@@H]1O 69048519 343423528 /nfs/dbraw/zinc/42/35/28/343423528.db2.gz KPQVKLUDGGHNLX-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1ccnc1[C@@H](O)C(F)(F)F 69032716 343423537 /nfs/dbraw/zinc/42/35/37/343423537.db2.gz UUGCRMLPMASSPX-RXMQYKEDSA-N 0 0 194.156 1.499 10 0 ADAERN CCCn1ccnc1C(C)(C)O 69030931 343423556 /nfs/dbraw/zinc/42/35/56/343423556.db2.gz LELRSBLDBOOCKG-UHFFFAOYSA-N 0 0 168.240 1.521 10 0 ADAERN CCCn1ccnc1[C@@H]1CCC[C@@H]1O 69048518 343423559 /nfs/dbraw/zinc/42/35/59/343423559.db2.gz KPQVKLUDGGHNLX-ZJUUUORDSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1ccnc1C(=O)C(C)C 69032147 343423567 /nfs/dbraw/zinc/42/35/67/343423567.db2.gz IBJVKYCJJDBTLY-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN CCn1ccnc1-c1cnc(N)s1 69030598 343423574 /nfs/dbraw/zinc/42/35/74/343423574.db2.gz SLXFJLAQJMVCSB-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN CCn1ccnc1[C@H](O)C(C)C 69031613 343423591 /nfs/dbraw/zinc/42/35/91/343423591.db2.gz YHCDEAZVXVNBSL-MRVPVSSYSA-N 0 0 168.240 1.592 10 0 ADAERN CCC(=O)c1nccn1CC 69032182 343423593 /nfs/dbraw/zinc/42/35/93/343423593.db2.gz BXJCQHNHNMVASY-UHFFFAOYSA-N 0 0 152.197 1.496 10 0 ADAERN CCn1ccnc1[C@@H]1CCCC1=O 69048539 343423595 /nfs/dbraw/zinc/42/35/95/343423595.db2.gz ZMUXRTGQEBAKAP-MRVPVSSYSA-N 0 0 178.235 1.740 10 0 ADAERN CCn1ccnc1[C@H](O)C1CC1 69031769 343423624 /nfs/dbraw/zinc/42/36/24/343423624.db2.gz ASTXGKXSPZPVKG-MRVPVSSYSA-N 0 0 166.224 1.346 10 0 ADAERN C[C@H]1CCC[C@](O)(c2cnccn2)C1 69048805 343423747 /nfs/dbraw/zinc/42/37/47/343423747.db2.gz ZNWULWRITRELFK-GXSJLCMTSA-N 0 0 192.262 1.874 10 0 ADAERN O[C@H]1CCCCC[C@@H]1c1cnccn1 69049376 343423751 /nfs/dbraw/zinc/42/37/51/343423751.db2.gz XMKIJPMJGYCJNP-KOLCDFICSA-N 0 0 192.262 1.885 10 0 ADAERN O[C@H]1CCCCC[C@H]1c1cnccn1 69049375 343423758 /nfs/dbraw/zinc/42/37/58/343423758.db2.gz XMKIJPMJGYCJNP-ONGXEEELSA-N 0 0 192.262 1.885 10 0 ADAERN OC1(c2cnccn2)CCCC1 69048823 343423760 /nfs/dbraw/zinc/42/37/60/343423760.db2.gz GFUKALSOUARPEC-UHFFFAOYSA-N 0 0 164.208 1.238 10 0 ADAERN C[C@H]1CCC[C@@](O)(c2cnccn2)C1 69048807 343423764 /nfs/dbraw/zinc/42/37/64/343423764.db2.gz ZNWULWRITRELFK-ONGXEEELSA-N 0 0 192.262 1.874 10 0 ADAERN CC(C)(C)C[C@@H](O)c1cnccn1 69049053 343423788 /nfs/dbraw/zinc/42/37/88/343423788.db2.gz WPFMYKRIDVNRQT-SECBINFHSA-N 0 0 180.251 1.946 10 0 ADAERN CC[C@@H](C)C(=O)c1cnccn1 69049098 343423796 /nfs/dbraw/zinc/42/37/96/343423796.db2.gz WIFCOQFHIKCZPB-SSDOTTSWSA-N 0 0 164.208 1.705 10 0 ADAERN CC[C@H](C)C(=O)c1cnccn1 69049101 343423806 /nfs/dbraw/zinc/42/38/06/343423806.db2.gz WIFCOQFHIKCZPB-ZETCQYMHSA-N 0 0 164.208 1.705 10 0 ADAERN O[C@H](c1cnccn1)[C@@H]1CC=CCC1 69049034 343423809 /nfs/dbraw/zinc/42/38/09/343423809.db2.gz BETUEJFVKZBVNS-KOLCDFICSA-N 0 0 190.246 1.866 10 0 ADAERN CC[C@@](C)(O)c1cnccn1 69048869 343423811 /nfs/dbraw/zinc/42/38/11/343423811.db2.gz NLCWCWVUIPBVJM-MRVPVSSYSA-N 0 0 152.197 1.094 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)c1cnccn1 69048820 343423814 /nfs/dbraw/zinc/42/38/14/343423814.db2.gz GTPYJJZUOXWLRJ-KOLCDFICSA-N 0 0 192.262 1.874 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cnccn1 69049003 343423821 /nfs/dbraw/zinc/42/38/21/343423821.db2.gz VCHNHZJQWLFBJU-IONNQARKSA-N 0 0 166.224 1.556 10 0 ADAERN OC1(c2cnccn2)CCCCC1 69048801 343423825 /nfs/dbraw/zinc/42/38/25/343423825.db2.gz DJBZOMQZKNQZTR-UHFFFAOYSA-N 0 0 178.235 1.628 10 0 ADAERN CC(C)(C)C[C@H](O)c1cnccn1 69049052 343423831 /nfs/dbraw/zinc/42/38/31/343423831.db2.gz WPFMYKRIDVNRQT-VIFPVBQESA-N 0 0 180.251 1.946 10 0 ADAERN CC[C@](C)(O)c1cnccn1 69048868 343424054 /nfs/dbraw/zinc/42/40/54/343424054.db2.gz NLCWCWVUIPBVJM-QMMMGPOBSA-N 0 0 152.197 1.094 10 0 ADAERN CC[C@H](C)[C@H](O)c1cnccn1 69049000 343423860 /nfs/dbraw/zinc/42/38/60/343423860.db2.gz VCHNHZJQWLFBJU-CBAPKCEASA-N 0 0 166.224 1.556 10 0 ADAERN O=C(c1ccsc1)c1cnccn1 69049076 343423863 /nfs/dbraw/zinc/42/38/63/343423863.db2.gz CTUWLVHGOCVMEL-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cnccn1 69048999 343423877 /nfs/dbraw/zinc/42/38/77/343423877.db2.gz VCHNHZJQWLFBJU-APPZFPTMSA-N 0 0 166.224 1.556 10 0 ADAERN N[C@@H](c1ccsc1)c1cnccn1 69049169 343423880 /nfs/dbraw/zinc/42/38/80/343423880.db2.gz CBEMVZTXGVVWKB-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN Nc1cccc(-c2cnccn2)c1 69048738 343423886 /nfs/dbraw/zinc/42/38/86/343423886.db2.gz NYKQOESVNLGISR-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN O[C@@H](c1cnccn1)[C@H]1CC=CCC1 69049031 343423888 /nfs/dbraw/zinc/42/38/88/343423888.db2.gz BETUEJFVKZBVNS-GXSJLCMTSA-N 0 0 190.246 1.866 10 0 ADAERN O=C(Cc1cccnc1)c1cnccn1 69049088 343423891 /nfs/dbraw/zinc/42/38/91/343423891.db2.gz FIBVAYNQVTXEOY-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN O=C(CC(F)(F)F)c1cnccn1 69049082 343423895 /nfs/dbraw/zinc/42/38/95/343423895.db2.gz YJXYAOOTPGBKQP-UHFFFAOYSA-N 0 0 190.124 1.612 10 0 ADAERN C[C@H]1CCCC[C@@]1(O)c1cnccn1 69048821 343423899 /nfs/dbraw/zinc/42/38/99/343423899.db2.gz GTPYJJZUOXWLRJ-ONGXEEELSA-N 0 0 192.262 1.874 10 0 ADAERN Nc1ccccc1-c1cnccn1 69048747 343423903 /nfs/dbraw/zinc/42/39/03/343423903.db2.gz UFEZYIUCAHEPAC-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN O=C(c1ccccn1)c1cnccn1 69049073 343423909 /nfs/dbraw/zinc/42/39/09/343423909.db2.gz DQUKLYSGOASKRN-UHFFFAOYSA-N 0 0 185.186 1.103 10 0 ADAERN C[C@H]1CCCC[C@]1(O)c1cnccn1 69048818 343423927 /nfs/dbraw/zinc/42/39/27/343423927.db2.gz GTPYJJZUOXWLRJ-GXSJLCMTSA-N 0 0 192.262 1.874 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1c1cnccn1 69049380 343423928 /nfs/dbraw/zinc/42/39/28/343423928.db2.gz XMKIJPMJGYCJNP-MWLCHTKSSA-N 0 0 192.262 1.885 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cnccn1 69049001 343423930 /nfs/dbraw/zinc/42/39/30/343423930.db2.gz VCHNHZJQWLFBJU-VXNVDRBHSA-N 0 0 166.224 1.556 10 0 ADAERN CC1CCC(O)(c2cnccn2)CC1 69048809 343423949 /nfs/dbraw/zinc/42/39/49/343423949.db2.gz SDYLUOJCOVJCCQ-UHFFFAOYSA-N 0 0 192.262 1.874 10 0 ADAERN O=C(c1ccncc1)c1cnccn1 69049074 343423960 /nfs/dbraw/zinc/42/39/60/343423960.db2.gz YCSZXEZHVLAKRU-UHFFFAOYSA-N 0 0 185.186 1.103 10 0 ADAERN Cc1cccc(C(=O)c2cnccn2)n1 69049096 343423997 /nfs/dbraw/zinc/42/39/97/343423997.db2.gz VSFMDOZLDAZARR-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CCC(O)(CC)c1cnccn1 69048870 343424007 /nfs/dbraw/zinc/42/40/07/343424007.db2.gz JHKLRVHJDALAHR-UHFFFAOYSA-N 0 0 166.224 1.484 10 0 ADAERN C[C@@H]1CCC[C@](O)(c2cnccn2)C1 69048803 343424028 /nfs/dbraw/zinc/42/40/28/343424028.db2.gz ZNWULWRITRELFK-MWLCHTKSSA-N 0 0 192.262 1.874 10 0 ADAERN O[C@@H](c1cnccn1)[C@@H]1CC=CCC1 69049033 343424036 /nfs/dbraw/zinc/42/40/36/343424036.db2.gz BETUEJFVKZBVNS-MWLCHTKSSA-N 0 0 190.246 1.866 10 0 ADAERN N[C@H](c1ccsc1)c1cnccn1 69049171 343424050 /nfs/dbraw/zinc/42/40/50/343424050.db2.gz CBEMVZTXGVVWKB-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN C[C@@H]1CCCC[C@]1(O)c1cnccn1 69048816 343424067 /nfs/dbraw/zinc/42/40/67/343424067.db2.gz GTPYJJZUOXWLRJ-MWLCHTKSSA-N 0 0 192.262 1.874 10 0 ADAERN O[C@H](c1cnccn1)[C@H]1CC=CCC1 69049032 343424071 /nfs/dbraw/zinc/42/40/71/343424071.db2.gz BETUEJFVKZBVNS-ONGXEEELSA-N 0 0 190.246 1.866 10 0 ADAERN Nc1ccc(-c2cnccn2)cc1 69048756 343424087 /nfs/dbraw/zinc/42/40/87/343424087.db2.gz LVLMUZHINXVDSS-UHFFFAOYSA-N 0 0 171.203 1.726 10 0 ADAERN C[C@@H]1CCC[C@@](O)(c2cnccn2)C1 69048806 343424088 /nfs/dbraw/zinc/42/40/88/343424088.db2.gz ZNWULWRITRELFK-KOLCDFICSA-N 0 0 192.262 1.874 10 0 ADAERN O[C@@H]1CCCCC[C@H]1c1cnccn1 69049378 343424095 /nfs/dbraw/zinc/42/40/95/343424095.db2.gz XMKIJPMJGYCJNP-GXSJLCMTSA-N 0 0 192.262 1.885 10 0 ADAERN O=C1CCC[C@H]1c1cnccn1 69049394 343424320 /nfs/dbraw/zinc/42/43/20/343424320.db2.gz JDKBYTBQBXDTGD-ZETCQYMHSA-N 0 0 162.192 1.313 10 0 ADAERN O=C1CCCC[C@H]1c1cnccn1 69049392 343424335 /nfs/dbraw/zinc/42/43/35/343424335.db2.gz ZBQXRFIJAPUTQJ-QMMMGPOBSA-N 0 0 176.219 1.703 10 0 ADAERN O=C1CCC[C@@H]1c1cnccn1 69049395 343424417 /nfs/dbraw/zinc/42/44/17/343424417.db2.gz JDKBYTBQBXDTGD-SSDOTTSWSA-N 0 0 162.192 1.313 10 0 ADAERN O=C1CCCC[C@@H]1c1cnccn1 69049393 343424427 /nfs/dbraw/zinc/42/44/27/343424427.db2.gz ZBQXRFIJAPUTQJ-MRVPVSSYSA-N 0 0 176.219 1.703 10 0 ADAERN Cc1cn(CCO)c(C)c1C 69233778 343425452 /nfs/dbraw/zinc/42/54/52/343425452.db2.gz KIZXWWIOTCLKDI-UHFFFAOYSA-N 0 0 153.225 1.406 10 0 ADAERN Nc1ccc(F)cc1O[C@H]1CCOC1 69606689 343426249 /nfs/dbraw/zinc/42/62/49/343426249.db2.gz CIGZVQFJNZCJHF-QMMMGPOBSA-N 0 0 197.209 1.576 10 0 ADAERN Cc1c(N)cccc1O[C@H]1CCOC1 69606744 343426258 /nfs/dbraw/zinc/42/62/58/343426258.db2.gz SKHURENLOMROPB-VIFPVBQESA-N 0 0 193.246 1.745 10 0 ADAERN Nc1ccc(F)cc1O[C@@H]1CCOC1 69606687 343426282 /nfs/dbraw/zinc/42/62/82/343426282.db2.gz CIGZVQFJNZCJHF-MRVPVSSYSA-N 0 0 197.209 1.576 10 0 ADAERN Cc1ccc(N)c(O[C@@H]2CCOC2)c1 69606730 343426304 /nfs/dbraw/zinc/42/63/04/343426304.db2.gz YHBAMSFDJUHMLG-SECBINFHSA-N 0 0 193.246 1.745 10 0 ADAERN Cc1ccc(O[C@H]2CCOC2)c(N)n1 69606755 343426337 /nfs/dbraw/zinc/42/63/37/343426337.db2.gz NSEUSKXLIRXYRC-QMMMGPOBSA-N 0 0 194.234 1.140 10 0 ADAERN CSCc1nc2cccnc2[nH]1 69606245 343426384 /nfs/dbraw/zinc/42/63/84/343426384.db2.gz KGDWEZXTMXEARC-UHFFFAOYSA-N 0 0 179.248 1.821 10 0 ADAERN Cc1ccc(N)c(O[C@H]2CCOC2)c1 69606731 343426549 /nfs/dbraw/zinc/42/65/49/343426549.db2.gz YHBAMSFDJUHMLG-VIFPVBQESA-N 0 0 193.246 1.745 10 0 ADAERN Cc1ccc(O[C@@H]2CCOC2)c(N)n1 69606754 343426599 /nfs/dbraw/zinc/42/65/99/343426599.db2.gz NSEUSKXLIRXYRC-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN Oc1ccc(O[C@@H]2CCOC2)cc1 69623968 343426818 /nfs/dbraw/zinc/42/68/18/343426818.db2.gz MJOIXIDILZSKPK-SNVBAGLBSA-N 0 0 180.203 1.560 10 0 ADAERN Oc1ccccc1O[C@H]1CCOC1 69623982 343426836 /nfs/dbraw/zinc/42/68/36/343426836.db2.gz BXIYNQPGNAEWNN-QMMMGPOBSA-N 0 0 180.203 1.560 10 0 ADAERN Cc1c(O)cccc1O[C@H]1CCOC1 69623962 343426838 /nfs/dbraw/zinc/42/68/38/343426838.db2.gz ZBNWTJXLTKBSFQ-VIFPVBQESA-N 0 0 194.230 1.868 10 0 ADAERN Cc1nn([C@@H]2CCOC2)c(C)c1C=O 69624846 343426845 /nfs/dbraw/zinc/42/68/45/343426845.db2.gz SWWAQHQZDBNEJE-SECBINFHSA-N 0 0 194.234 1.274 10 0 ADAERN OCc1cccc(O[C@@H]2CCOC2)c1 69623374 343426872 /nfs/dbraw/zinc/42/68/72/343426872.db2.gz GMGFRVXJQKNMGH-LLVKDONJSA-N 0 0 194.230 1.347 10 0 ADAERN Oc1ccc(O[C@H]2CCOC2)cc1 69623970 343426882 /nfs/dbraw/zinc/42/68/82/343426882.db2.gz MJOIXIDILZSKPK-JTQLQIEISA-N 0 0 180.203 1.560 10 0 ADAERN Cc1c(O)cccc1O[C@@H]1CCOC1 69623959 343426903 /nfs/dbraw/zinc/42/69/03/343426903.db2.gz ZBNWTJXLTKBSFQ-SECBINFHSA-N 0 0 194.230 1.868 10 0 ADAERN OCc1cccc(O[C@H]2CCOC2)c1 69623377 343426950 /nfs/dbraw/zinc/42/69/50/343426950.db2.gz GMGFRVXJQKNMGH-NSHDSACASA-N 0 0 194.230 1.347 10 0 ADAERN CCC(=O)c1cnn([C@H]2CCOC2)c1 69624859 343426972 /nfs/dbraw/zinc/42/69/72/343426972.db2.gz DYTNQEPUFLGSCF-VIFPVBQESA-N 0 0 194.234 1.437 10 0 ADAERN CCC(=O)c1cnn([C@@H]2CCOC2)c1 69624858 343427010 /nfs/dbraw/zinc/42/70/10/343427010.db2.gz DYTNQEPUFLGSCF-SECBINFHSA-N 0 0 194.234 1.437 10 0 ADAERN CN(c1ccccc1N)[C@H]1CCOC1 69623359 343427024 /nfs/dbraw/zinc/42/70/24/343427024.db2.gz LHKSRMPKMBEYLK-VIFPVBQESA-N 0 0 192.262 1.494 10 0 ADAERN CN(c1ccccc1N)[C@@H]1CCOC1 69623355 343427082 /nfs/dbraw/zinc/42/70/82/343427082.db2.gz LHKSRMPKMBEYLK-SECBINFHSA-N 0 0 192.262 1.494 10 0 ADAERN Oc1cccc(O[C@@H]2CCOC2)c1 69623985 343427095 /nfs/dbraw/zinc/42/70/95/343427095.db2.gz YHZUAVIAUHAODH-SNVBAGLBSA-N 0 0 180.203 1.560 10 0 ADAERN OCc1ccccc1O[C@@H]1CCOC1 69623390 343427120 /nfs/dbraw/zinc/42/71/20/343427120.db2.gz CJMOIGJHDYJDFH-SNVBAGLBSA-N 0 0 194.230 1.347 10 0 ADAERN CC[C@@H](O)c1cnn([C@H]2CCOC2)c1 69625122 343427371 /nfs/dbraw/zinc/42/73/71/343427371.db2.gz ZNVFGUPCZQUPLG-VHSXEESVSA-N 0 0 196.250 1.288 10 0 ADAERN CC[C@@H](O)c1cnn([C@@H]2CCOC2)c1 69625118 343427391 /nfs/dbraw/zinc/42/73/91/343427391.db2.gz ZNVFGUPCZQUPLG-NXEZZACHSA-N 0 0 196.250 1.288 10 0 ADAERN CNC(=O)C[C@H](C)C(C)(C)C 69626693 343427463 /nfs/dbraw/zinc/42/74/63/343427463.db2.gz HXBQKIHPERBJGZ-ZETCQYMHSA-N 0 0 157.257 1.805 10 0 ADAERN CSCC(=O)c1ccoc1 69630650 343428428 /nfs/dbraw/zinc/42/84/28/343428428.db2.gz JQIQPYDQBHUGIS-UHFFFAOYSA-N 0 0 156.206 1.825 10 0 ADAERN OC(c1ccoc1)c1ccoc1 69630600 343428441 /nfs/dbraw/zinc/42/84/41/343428441.db2.gz BKOGYXXZDZJSQB-UHFFFAOYSA-N 0 0 164.160 1.954 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)c1ccoc1 69630660 343428475 /nfs/dbraw/zinc/42/84/75/343428475.db2.gz GKKIJCFDPWCZFE-VHSXEESVSA-N 0 0 182.219 1.882 10 0 ADAERN CSCC(=O)C1CCOCC1 69630583 343428499 /nfs/dbraw/zinc/42/84/99/343428499.db2.gz QPZZIAHUAQWICQ-UHFFFAOYSA-N 0 0 174.265 1.345 10 0 ADAERN O[C@@H](C[C@@H]1CCCO1)c1ccoc1 69630662 343428627 /nfs/dbraw/zinc/42/86/27/343428627.db2.gz GKKIJCFDPWCZFE-UWVGGRQHSA-N 0 0 182.219 1.882 10 0 ADAERN O[C@@H](C[C@H]1CCCO1)c1ccoc1 69630666 343428647 /nfs/dbraw/zinc/42/86/47/343428647.db2.gz GKKIJCFDPWCZFE-ZJUUUORDSA-N 0 0 182.219 1.882 10 0 ADAERN Cc1cc(=O)[nH]c(CC(C)(C)C)n1 69630060 343428774 /nfs/dbraw/zinc/42/87/74/343428774.db2.gz MIPDQILGYQLZIU-UHFFFAOYSA-N 0 0 180.251 1.667 10 0 ADAERN O[C@H](C[C@H]1CCCO1)c1ccoc1 69630664 343428799 /nfs/dbraw/zinc/42/87/99/343428799.db2.gz GKKIJCFDPWCZFE-NXEZZACHSA-N 0 0 182.219 1.882 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(F)nc1 69632908 343428871 /nfs/dbraw/zinc/42/88/71/343428871.db2.gz NCNVPRZJLFTLGS-HTRCEHHLSA-N 0 0 194.209 1.359 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)nc1 69632903 343428946 /nfs/dbraw/zinc/42/89/46/343428946.db2.gz NCNVPRZJLFTLGS-SVRRBLITSA-N 0 0 194.209 1.359 10 0 ADAERN Nc1ccc(Cl)c(OCCO)c1 69635113 343429287 /nfs/dbraw/zinc/42/92/87/343429287.db2.gz YAAOGYDKMFCZGD-UHFFFAOYSA-N 0 0 187.626 1.293 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(F)nc1 69632906 343429348 /nfs/dbraw/zinc/42/93/48/343429348.db2.gz NCNVPRZJLFTLGS-XPUUQOCRSA-N 0 0 194.209 1.359 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1ccc(F)nc1 69632910 343429397 /nfs/dbraw/zinc/42/93/97/343429397.db2.gz NCNVPRZJLFTLGS-POYBYMJQSA-N 0 0 194.209 1.359 10 0 ADAERN Cc1ccsc1-c1c[nH]c(CO)n1 69637363 343429710 /nfs/dbraw/zinc/42/97/10/343429710.db2.gz IWCDCSLBNSWTGB-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN O=Cc1c[nH]nc1-c1nccs1 69636206 343429768 /nfs/dbraw/zinc/42/97/68/343429768.db2.gz AHWBSKDSFIGPQT-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN Cn1cc(C=O)c(-c2nccs2)n1 69636316 343429827 /nfs/dbraw/zinc/42/98/27/343429827.db2.gz BTZZQXIBYHWIIJ-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1ccsc1-c1cnnc(N)n1 69636454 343430060 /nfs/dbraw/zinc/43/00/60/343430060.db2.gz RAAQOTPEDPIVSC-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN O=Cc1csc(-c2ccncn2)n1 69638354 343430121 /nfs/dbraw/zinc/43/01/21/343430121.db2.gz GLLPVVGIDUOVLA-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1ccncn1 69638194 343430179 /nfs/dbraw/zinc/43/01/79/343430179.db2.gz NAACDCPAZXXQOO-YUMQZZPRSA-N 0 0 162.192 1.169 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1ccncn1 69638198 343430198 /nfs/dbraw/zinc/43/01/98/343430198.db2.gz NAACDCPAZXXQOO-JGVFFNPUSA-N 0 0 162.192 1.169 10 0 ADAERN O[C@H](c1ccncn1)c1ccco1 69638707 343430245 /nfs/dbraw/zinc/43/02/45/343430245.db2.gz QOCVFPOWDBEORQ-SECBINFHSA-N 0 0 176.175 1.151 10 0 ADAERN CC(C)C[C@H](O)c1ccncn1 69638609 343430255 /nfs/dbraw/zinc/43/02/55/343430255.db2.gz SUVNWBKDULXPIO-VIFPVBQESA-N 0 0 166.224 1.556 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1ccncn1 69638200 343430262 /nfs/dbraw/zinc/43/02/62/343430262.db2.gz NAACDCPAZXXQOO-HTQZYQBOSA-N 0 0 162.192 1.169 10 0 ADAERN CC/C(=C\c1ccncn1)[N+](=O)[O-] 69638373 343430292 /nfs/dbraw/zinc/43/02/92/343430292.db2.gz XHLLRJIFDYJNOP-VMPITWQZSA-N 0 0 179.179 1.504 10 0 ADAERN O[C@H](c1ccncn1)C1CCCC1 69638584 343430329 /nfs/dbraw/zinc/43/03/29/343430329.db2.gz NSJVTPRPTLCUNO-JTQLQIEISA-N 0 0 178.235 1.700 10 0 ADAERN O[C@@H](c1ccncn1)C1CCCC1 69638583 343430336 /nfs/dbraw/zinc/43/03/36/343430336.db2.gz NSJVTPRPTLCUNO-SNVBAGLBSA-N 0 0 178.235 1.700 10 0 ADAERN O[C@@H](c1ccncn1)c1cccs1 69638605 343430350 /nfs/dbraw/zinc/43/03/50/343430350.db2.gz DVHLXTUHJZBMRM-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1ccncn1 69638196 343430376 /nfs/dbraw/zinc/43/03/76/343430376.db2.gz NAACDCPAZXXQOO-SFYZADRCSA-N 0 0 162.192 1.169 10 0 ADAERN CC(C)[C@@H](O)c1ccncn1 69638625 343430380 /nfs/dbraw/zinc/43/03/80/343430380.db2.gz NUQRONZLUISXAG-MRVPVSSYSA-N 0 0 152.197 1.166 10 0 ADAERN O[C@H](c1ccncn1)c1cccs1 69638603 343430392 /nfs/dbraw/zinc/43/03/92/343430392.db2.gz DVHLXTUHJZBMRM-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN O[C@@H](c1ccncn1)c1ccco1 69638709 343430408 /nfs/dbraw/zinc/43/04/08/343430408.db2.gz QOCVFPOWDBEORQ-VIFPVBQESA-N 0 0 176.175 1.151 10 0 ADAERN Clc1nc(-c2ccncn2)no1 69638298 343430410 /nfs/dbraw/zinc/43/04/10/343430410.db2.gz IQFYYINIRUXKAQ-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN COc1cccc(Cn2cccn2)n1 69637820 343430417 /nfs/dbraw/zinc/43/04/17/343430417.db2.gz BDOVREMHHULFER-UHFFFAOYSA-N 0 0 189.218 1.335 10 0 ADAERN CC(C)C(=O)c1ccncn1 69639023 343430695 /nfs/dbraw/zinc/43/06/95/343430695.db2.gz GSEGAKQUYGZXIO-UHFFFAOYSA-N 0 0 150.181 1.315 10 0 ADAERN CC(C)(C)C(=O)c1ccncn1 69638967 343430766 /nfs/dbraw/zinc/43/07/66/343430766.db2.gz CKXXJORPZUBUCC-UHFFFAOYSA-N 0 0 164.208 1.705 10 0 ADAERN O=C(c1ccncn1)C1CCOCC1 69638873 343430775 /nfs/dbraw/zinc/43/07/75/343430775.db2.gz NLVMCOMZXGZDHR-UHFFFAOYSA-N 0 0 192.218 1.086 10 0 ADAERN O=C(c1ccoc1)c1ccncn1 69639014 343430801 /nfs/dbraw/zinc/43/08/01/343430801.db2.gz XGJVVIWTTGVMKK-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN N[C@H](c1ccncn1)c1cccs1 69639411 343430839 /nfs/dbraw/zinc/43/08/39/343430839.db2.gz QNKAKMIDCLYQGA-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN CN[C@@H](c1ccncn1)c1ccco1 69639484 343430858 /nfs/dbraw/zinc/43/08/58/343430858.db2.gz BLLFZSRHIKCPPY-JTQLQIEISA-N 0 0 189.218 1.378 10 0 ADAERN O=C(Cc1ccccc1)c1ccncn1 69638860 343430895 /nfs/dbraw/zinc/43/08/95/343430895.db2.gz WCODGGCDMPRDAI-UHFFFAOYSA-N 0 0 198.225 1.902 10 0 ADAERN N[C@@H](c1ccoc1)c1ccncn1 69639410 343430903 /nfs/dbraw/zinc/43/09/03/343430903.db2.gz GIBSCTJIBBQOGN-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN N[C@H](c1ccoc1)c1ccncn1 69639407 343430927 /nfs/dbraw/zinc/43/09/27/343430927.db2.gz GIBSCTJIBBQOGN-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN O=C(c1ccncn1)c1ccco1 69638935 343430949 /nfs/dbraw/zinc/43/09/49/343430949.db2.gz AGYCJJFNGWNHMA-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN CN[C@H](c1ccncn1)c1ccco1 69639486 343430959 /nfs/dbraw/zinc/43/09/59/343430959.db2.gz BLLFZSRHIKCPPY-SNVBAGLBSA-N 0 0 189.218 1.378 10 0 ADAERN O=C(c1ccncn1)c1cccs1 69639018 343430992 /nfs/dbraw/zinc/43/09/92/343430992.db2.gz NMWJBVXVWNHCEI-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN O=C(c1ccncn1)C1CCCC1 69638994 343430995 /nfs/dbraw/zinc/43/09/95/343430995.db2.gz CSJAJYKOFRIBGR-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN N[C@H](c1ccncn1)c1ccco1 69639134 343431004 /nfs/dbraw/zinc/43/10/04/343431004.db2.gz WKVJHCRJGOGUGA-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN N[C@@H](c1ccncn1)c1cccs1 69639413 343431019 /nfs/dbraw/zinc/43/10/19/343431019.db2.gz QNKAKMIDCLYQGA-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN N[C@@H](c1ccncn1)c1ccco1 69639136 343431036 /nfs/dbraw/zinc/43/10/36/343431036.db2.gz WKVJHCRJGOGUGA-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN C[C@H](CC1CC1)NC(N)=S 69666367 343431191 /nfs/dbraw/zinc/43/11/91/343431191.db2.gz UBMXEBDOEVAFCX-RXMQYKEDSA-N 0 0 158.270 1.008 10 0 ADAERN C[C@@H](CC1CC1)NC(N)=S 69666363 343431194 /nfs/dbraw/zinc/43/11/94/343431194.db2.gz UBMXEBDOEVAFCX-YFKPBYRVSA-N 0 0 158.270 1.008 10 0 ADAERN C[C@@H](CC1CC1)NC#N 69665705 343431210 /nfs/dbraw/zinc/43/12/10/343431210.db2.gz YDDLBRKAFOXNAE-LURJTMIESA-N 0 0 124.187 1.246 10 0 ADAERN COCC(=O)c1cccc(F)c1F 69640573 343431408 /nfs/dbraw/zinc/43/14/08/343431408.db2.gz ITGBYTZSFPEMHB-UHFFFAOYSA-N 0 0 186.157 1.794 10 0 ADAERN CSC[C@H](O)COC(C)C 69661609 343431432 /nfs/dbraw/zinc/43/14/32/343431432.db2.gz OQJCPEMWVMXYGO-SSDOTTSWSA-N 0 0 164.270 1.135 10 0 ADAERN C[C@H](CC1CC1)NC#N 69665711 343431450 /nfs/dbraw/zinc/43/14/50/343431450.db2.gz YDDLBRKAFOXNAE-ZCFIWIBFSA-N 0 0 124.187 1.246 10 0 ADAERN CSC[C@@H](O)COC(C)C 69661606 343431508 /nfs/dbraw/zinc/43/15/08/343431508.db2.gz OQJCPEMWVMXYGO-ZETCQYMHSA-N 0 0 164.270 1.135 10 0 ADAERN COC[C@H](O)c1cccc(F)c1F 69640619 343431512 /nfs/dbraw/zinc/43/15/12/343431512.db2.gz QSFNJBLXHDQBEU-QMMMGPOBSA-N 0 0 188.173 1.645 10 0 ADAERN C[C@H](CC1CC1)Nc1ncc(N)cn1 69663217 343431576 /nfs/dbraw/zinc/43/15/76/343431576.db2.gz HLDAFZRMPUIXFN-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@@H](CC1CC1)Nc1ncc(N)cn1 69663214 343431583 /nfs/dbraw/zinc/43/15/83/343431583.db2.gz HLDAFZRMPUIXFN-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN COC[C@@H](O)c1cccc(F)c1F 69640621 343431586 /nfs/dbraw/zinc/43/15/86/343431586.db2.gz QSFNJBLXHDQBEU-MRVPVSSYSA-N 0 0 188.173 1.645 10 0 ADAERN C[C@@H]1CC[C@@H](NC#N)[C@H](C)C1 69675887 343431709 /nfs/dbraw/zinc/43/17/09/343431709.db2.gz ITFDIIMKHDRISS-IWSPIJDZSA-N 0 0 152.241 1.882 10 0 ADAERN C[C@@H]1CC[C@H](NC(N)=S)[C@H](C)C1 69676209 343431758 /nfs/dbraw/zinc/43/17/58/343431758.db2.gz VYYXQLFXVBRSTM-PRJMDXOYSA-N 0 0 186.324 1.644 10 0 ADAERN C[C@@H](CC1CC1)N1CCC(=O)C1 69666409 343431760 /nfs/dbraw/zinc/43/17/60/343431760.db2.gz SUFYZSMSRJKUBL-QMMMGPOBSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@H](CC1CC1)n1c(=O)[nH][nH]c1=S 69670197 343431766 /nfs/dbraw/zinc/43/17/66/343431766.db2.gz KTVGGXYHJGLEAV-RXMQYKEDSA-N 0 0 199.279 1.595 10 0 ADAERN C[C@@H]1CC[C@H](NC#N)[C@H](C)C1 69675879 343431779 /nfs/dbraw/zinc/43/17/79/343431779.db2.gz ITFDIIMKHDRISS-HLTSFMKQSA-N 0 0 152.241 1.882 10 0 ADAERN C[C@@H]1CC[C@@H](NC(N)=S)[C@H](C)C1 69676215 343431802 /nfs/dbraw/zinc/43/18/02/343431802.db2.gz VYYXQLFXVBRSTM-BWZBUEFSSA-N 0 0 186.324 1.644 10 0 ADAERN CC[C@H](CC1CC1)NC#N 69673075 343431808 /nfs/dbraw/zinc/43/18/08/343431808.db2.gz IZZXATKOOHJDOT-MRVPVSSYSA-N 0 0 138.214 1.636 10 0 ADAERN C[C@@H](CC1CC1)N1C(=O)C=CC1=O 69666693 343431815 /nfs/dbraw/zinc/43/18/15/343431815.db2.gz COOXWEILGUYBJK-ZETCQYMHSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@@H](CC1CC1)n1c(=O)[nH][nH]c1=S 69670193 343431841 /nfs/dbraw/zinc/43/18/41/343431841.db2.gz KTVGGXYHJGLEAV-YFKPBYRVSA-N 0 0 199.279 1.595 10 0 ADAERN C[C@H](CC1CC1)N1CCC(=O)C1 69666413 343431849 /nfs/dbraw/zinc/43/18/49/343431849.db2.gz SUFYZSMSRJKUBL-MRVPVSSYSA-N 0 0 167.252 1.450 10 0 ADAERN CC[C@@H](CC1CC1)NC#N 69673073 343431868 /nfs/dbraw/zinc/43/18/68/343431868.db2.gz IZZXATKOOHJDOT-QMMMGPOBSA-N 0 0 138.214 1.636 10 0 ADAERN CC1=CC(=O)N([C@@H](C)CC2CC2)C1=O 69666699 343431963 /nfs/dbraw/zinc/43/19/63/343431963.db2.gz QMGGFWPNYDWROT-QMMMGPOBSA-N 0 0 193.246 1.490 10 0 ADAERN CC1=CC(=O)N([C@H](C)CC2CC2)C1=O 69666702 343432003 /nfs/dbraw/zinc/43/20/03/343432003.db2.gz QMGGFWPNYDWROT-MRVPVSSYSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@H](CC1CC1)N1C(=O)C=CC1=O 69666695 343432004 /nfs/dbraw/zinc/43/20/04/343432004.db2.gz COOXWEILGUYBJK-SSDOTTSWSA-N 0 0 179.219 1.100 10 0 ADAERN CC(C)[C@@H](C)c1nnc(N)o1 69685810 343434207 /nfs/dbraw/zinc/43/42/07/343434207.db2.gz PNDDOBSXGYQWET-RXMQYKEDSA-N 0 0 155.201 1.411 10 0 ADAERN CC(C)[C@H](C)c1nc(N)n[nH]1 69685804 343434236 /nfs/dbraw/zinc/43/42/36/343434236.db2.gz GPIDVGVVZYXNGE-YFKPBYRVSA-N 0 0 154.217 1.146 10 0 ADAERN CC(C)[C@H](C)c1nnc(N)o1 69685814 343434288 /nfs/dbraw/zinc/43/42/88/343434288.db2.gz PNDDOBSXGYQWET-YFKPBYRVSA-N 0 0 155.201 1.411 10 0 ADAERN CC(C)[C@@H](C)c1nc(N)n[nH]1 69685802 343434343 /nfs/dbraw/zinc/43/43/43/343434343.db2.gz GPIDVGVVZYXNGE-RXMQYKEDSA-N 0 0 154.217 1.146 10 0 ADAERN CC(C)[C@H](C)C1N=NC(=S)N1 69688078 343434595 /nfs/dbraw/zinc/43/45/95/343434595.db2.gz KXOXKOWLKZGRNF-YFKPBYRVSA-N 0 0 171.269 1.853 10 0 ADAERN Cc1nc([C@@H](C)C(C)C)n[nH]1 69687999 343434603 /nfs/dbraw/zinc/43/46/03/343434603.db2.gz AHUZAVHUZMQEDE-LURJTMIESA-N 0 0 153.229 1.873 10 0 ADAERN Cc1nc([C@H](C)C(C)C)n[nH]1 69688002 343434618 /nfs/dbraw/zinc/43/46/18/343434618.db2.gz AHUZAVHUZMQEDE-ZCFIWIBFSA-N 0 0 153.229 1.873 10 0 ADAERN CC(C)[C@@H](C)c1nnc(N)s1 69687865 343434625 /nfs/dbraw/zinc/43/46/25/343434625.db2.gz KFTQICWIOARZQR-RXMQYKEDSA-N 0 0 171.269 1.880 10 0 ADAERN CC(C)[C@H](C)c1n[nH]c(=S)n1N 69687950 343434637 /nfs/dbraw/zinc/43/46/37/343434637.db2.gz FRBFVABGKMSUHW-YFKPBYRVSA-N 0 0 186.284 1.414 10 0 ADAERN CC(C)[C@@H](C)C1N=NC(=S)N1 69688075 343434678 /nfs/dbraw/zinc/43/46/78/343434678.db2.gz KXOXKOWLKZGRNF-RXMQYKEDSA-N 0 0 171.269 1.853 10 0 ADAERN CC(C)[C@H](C)c1nnc(N)s1 69687868 343434727 /nfs/dbraw/zinc/43/47/27/343434727.db2.gz KFTQICWIOARZQR-YFKPBYRVSA-N 0 0 171.269 1.880 10 0 ADAERN CC(C)[C@@H](C)C(=O)Nc1ncc[nH]1 69688628 343435038 /nfs/dbraw/zinc/43/50/38/343435038.db2.gz KZHWOMODVVXBER-SSDOTTSWSA-N 0 0 181.239 1.062 10 0 ADAERN CC(C)[C@H](C)C(=O)Nc1ncc[nH]1 69688629 343435078 /nfs/dbraw/zinc/43/50/78/343435078.db2.gz KZHWOMODVVXBER-ZETCQYMHSA-N 0 0 181.239 1.062 10 0 ADAERN CC(C)[C@H](C)c1nc(N)no1 69691100 343435084 /nfs/dbraw/zinc/43/50/84/343435084.db2.gz VGLVTLPQBYZLIS-YFKPBYRVSA-N 0 0 155.201 1.411 10 0 ADAERN CC(C)[C@@H](C)c1nnc(CN)o1 69691190 343435182 /nfs/dbraw/zinc/43/51/82/343435182.db2.gz QRENHBDBJRDZGX-ZCFIWIBFSA-N 0 0 169.228 1.288 10 0 ADAERN CC(C)[C@H](C)c1nnc(CN)o1 69691194 343435518 /nfs/dbraw/zinc/43/55/18/343435518.db2.gz QRENHBDBJRDZGX-LURJTMIESA-N 0 0 169.228 1.288 10 0 ADAERN CC(C)[C@@H](C)c1nnc2n1CCNC2 69691364 343435538 /nfs/dbraw/zinc/43/55/38/343435538.db2.gz IBEGGTKVHRTICX-MRVPVSSYSA-N 0 0 194.282 1.141 10 0 ADAERN CC(C)[C@H](C)C1(O)CC1 69691378 343435561 /nfs/dbraw/zinc/43/55/61/343435561.db2.gz CKHNYGFJVNBTHH-ZETCQYMHSA-N 0 0 128.215 1.803 10 0 ADAERN CC(C)[C@H](C)c1nnc([C@H](C)N)o1 69691212 343435610 /nfs/dbraw/zinc/43/56/10/343435610.db2.gz TTZOMCMZPIPKNR-BQBZGAKWSA-N 0 0 183.255 1.849 10 0 ADAERN CC(C)[C@@H](C)C1(O)CC1 69691375 343435728 /nfs/dbraw/zinc/43/57/28/343435728.db2.gz CKHNYGFJVNBTHH-SSDOTTSWSA-N 0 0 128.215 1.803 10 0 ADAERN CC(C)[C@H](C)c1nnc([C@@H](C)N)o1 69691208 343435765 /nfs/dbraw/zinc/43/57/65/343435765.db2.gz TTZOMCMZPIPKNR-NKWVEPMBSA-N 0 0 183.255 1.849 10 0 ADAERN CC(C)[C@@H](C)c1nnc([C@@H](C)N)o1 69691206 343435790 /nfs/dbraw/zinc/43/57/90/343435790.db2.gz TTZOMCMZPIPKNR-RNFRBKRXSA-N 0 0 183.255 1.849 10 0 ADAERN CC(C)[C@@H](C)c1nnc([C@H](C)N)o1 69691210 343435841 /nfs/dbraw/zinc/43/58/41/343435841.db2.gz TTZOMCMZPIPKNR-RQJHMYQMSA-N 0 0 183.255 1.849 10 0 ADAERN Nc1nn(-c2cccnc2)cc1Cl 69759879 343438952 /nfs/dbraw/zinc/43/89/52/343438952.db2.gz RNQPWQCDLWLNCY-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Cc1cccc(-n2cc(C)c(N)n2)n1 69760419 343439243 /nfs/dbraw/zinc/43/92/43/343439243.db2.gz BQEDSLRMGJDZSS-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1csc(-n2cc(C)c(N)n2)n1 69760391 343439296 /nfs/dbraw/zinc/43/92/96/343439296.db2.gz ZUUWUSDLOCZDAM-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN Cc1cn(-c2ncccc2C)nc1N 69760394 343439392 /nfs/dbraw/zinc/43/93/92/343439392.db2.gz VOBOCFHPOBLZDJ-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Nc1nn(-c2ccccn2)cc1Cl 69759904 343439411 /nfs/dbraw/zinc/43/94/11/343439411.db2.gz NZQOHRMFJWBVRC-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CC(C)(C)Oc1cccnc1N 69760531 343439442 /nfs/dbraw/zinc/43/94/42/343439442.db2.gz IXXFAABKKFFOHW-UHFFFAOYSA-N 0 0 166.224 1.841 10 0 ADAERN Cc1cn(-c2nccs2)nc1N 69760443 343439577 /nfs/dbraw/zinc/43/95/77/343439577.db2.gz NKEGYWZCWYHQJH-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CCC(=O)CN1CCSC[C@H]1C 69761243 343439800 /nfs/dbraw/zinc/43/98/00/343439800.db2.gz BRFWNCUFOYWJTK-MRVPVSSYSA-N 0 0 187.308 1.403 10 0 ADAERN CCC(=O)CN1CCSC[C@@H]1C 69761242 343439817 /nfs/dbraw/zinc/43/98/17/343439817.db2.gz BRFWNCUFOYWJTK-QMMMGPOBSA-N 0 0 187.308 1.403 10 0 ADAERN CC(=O)[C@H](C)N1CCSC[C@@H]1C 69761213 343439961 /nfs/dbraw/zinc/43/99/61/343439961.db2.gz LLSQGAGSRMMLCE-YUMQZZPRSA-N 0 0 187.308 1.401 10 0 ADAERN C[C@@H]1CSCCN1CC(=O)C1CC1 69761262 343439969 /nfs/dbraw/zinc/43/99/69/343439969.db2.gz UEFLGNSTTOBZCC-MRVPVSSYSA-N 0 0 199.319 1.403 10 0 ADAERN C[C@H]1CSCCN1CC(=O)C1CC1 69761263 343440091 /nfs/dbraw/zinc/44/00/91/343440091.db2.gz UEFLGNSTTOBZCC-QMMMGPOBSA-N 0 0 199.319 1.403 10 0 ADAERN C=CC(=O)N(C)c1cccnc1 69763987 343440339 /nfs/dbraw/zinc/44/03/39/343440339.db2.gz ANMXNDKUFOTQHZ-UHFFFAOYSA-N 0 0 162.192 1.230 10 0 ADAERN CC(C)Nc1cc(N)ccc1C(N)=O 69764341 343440368 /nfs/dbraw/zinc/44/03/68/343440368.db2.gz BCFIHONMYGWESN-UHFFFAOYSA-N 0 0 193.250 1.188 10 0 ADAERN c1ncn(CCc2ccsc2)n1 69767299 343440452 /nfs/dbraw/zinc/44/04/52/343440452.db2.gz SBLIJXCGSNHAMC-UHFFFAOYSA-N 0 0 179.248 1.582 10 0 ADAERN CNc1cc(N)ccc1C(=O)N(C)C 69764672 343440437 /nfs/dbraw/zinc/44/04/37/343440437.db2.gz LSZLAFWJCFTMRF-UHFFFAOYSA-N 0 0 193.250 1.012 10 0 ADAERN CCNC(=O)c1ccc(N)cc1NC 69764673 343440462 /nfs/dbraw/zinc/44/04/62/343440462.db2.gz RWPBVCWYWCOUDF-UHFFFAOYSA-N 0 0 193.250 1.060 10 0 ADAERN CNC(=O)c1ccc(N)cc1SC 69764840 343440494 /nfs/dbraw/zinc/44/04/94/343440494.db2.gz JXEMPDMRHZMYBA-UHFFFAOYSA-N 0 0 196.275 1.350 10 0 ADAERN CCOc1cc(N)ccc1C(=O)NC 69764760 343440645 /nfs/dbraw/zinc/44/06/45/343440645.db2.gz IMWLELISUILVHU-UHFFFAOYSA-N 0 0 194.234 1.027 10 0 ADAERN CCNc1cc(N)ccc1C(=O)NC 69764682 343440691 /nfs/dbraw/zinc/44/06/91/343440691.db2.gz KJJJHVGFHVJRHI-UHFFFAOYSA-N 0 0 193.250 1.060 10 0 ADAERN Cc1nonc1CN[C@@H]1CC1(C)C 69795113 343442272 /nfs/dbraw/zinc/44/22/72/343442272.db2.gz ZNEGHDIZGUJPMG-MRVPVSSYSA-N 0 0 181.239 1.266 10 0 ADAERN CC1(C)CCCN(C(N)=S)C1 69793558 343442319 /nfs/dbraw/zinc/44/23/19/343442319.db2.gz BPKRRGZZOVGQEJ-UHFFFAOYSA-N 0 0 172.297 1.352 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCCC(C)(C)C1 69793551 343442411 /nfs/dbraw/zinc/44/24/11/343442411.db2.gz OMBZSCJIXXXCFQ-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN Cc1nonc1CN[C@H]1CC1(C)C 69795115 343442452 /nfs/dbraw/zinc/44/24/52/343442452.db2.gz ZNEGHDIZGUJPMG-QMMMGPOBSA-N 0 0 181.239 1.266 10 0 ADAERN C[C@H](CC(=O)[O-])[N@@H+]1CCCC(C)(C)C1 69793552 343442572 /nfs/dbraw/zinc/44/25/72/343442572.db2.gz OMBZSCJIXXXCFQ-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](NC(N)=S)C1CCCC1 69805022 343443456 /nfs/dbraw/zinc/44/34/56/343443456.db2.gz PVQZYCJGNBGLGF-ZCFIWIBFSA-N 0 0 172.297 1.398 10 0 ADAERN C[C@@H](Nc1nnnn1C)C1CCCC1 69805376 343443521 /nfs/dbraw/zinc/44/35/21/343443521.db2.gz NGWOHSNASGIEIH-SSDOTTSWSA-N 0 0 195.270 1.201 10 0 ADAERN C[C@H](NC#N)C1CCCC1 69804995 343443539 /nfs/dbraw/zinc/44/35/39/343443539.db2.gz CISHJMKZMVMLCW-ZETCQYMHSA-N 0 0 138.214 1.636 10 0 ADAERN O=C1Cc2cc(CO)c(Cl)cc2N1 69803621 343443560 /nfs/dbraw/zinc/44/35/60/343443560.db2.gz PWTCNZFQXSJATA-UHFFFAOYSA-N 0 0 197.621 1.327 10 0 ADAERN C[C@@H](C1CCCC1)N1C(=O)C=CC1=O 69805270 343443567 /nfs/dbraw/zinc/44/35/67/343443567.db2.gz BXLPGIAKEWSKSK-QMMMGPOBSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@H](NC(N)=S)C1CCCC1 69805018 343443582 /nfs/dbraw/zinc/44/35/82/343443582.db2.gz PVQZYCJGNBGLGF-LURJTMIESA-N 0 0 172.297 1.398 10 0 ADAERN C=CC(=O)N[C@H](C)C1CCCC1 69804857 343443588 /nfs/dbraw/zinc/44/35/88/343443588.db2.gz RFHDVHSSOZVDKG-MRVPVSSYSA-N 0 0 167.252 1.867 10 0 ADAERN C[C@@H](NC#N)C1CCCC1 69804998 343443772 /nfs/dbraw/zinc/44/37/72/343443772.db2.gz CISHJMKZMVMLCW-SSDOTTSWSA-N 0 0 138.214 1.636 10 0 ADAERN C[C@H](Nc1nnnn1C)C1CCCC1 69805370 343443791 /nfs/dbraw/zinc/44/37/91/343443791.db2.gz NGWOHSNASGIEIH-ZETCQYMHSA-N 0 0 195.270 1.201 10 0 ADAERN C[C@@H](C1CCCC1)N1CCC(=O)C1 69805169 343443823 /nfs/dbraw/zinc/44/38/23/343443823.db2.gz NZFLFZHICDEDON-VIFPVBQESA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H](C1CCCC1)N1CCC(=O)C1 69805172 343443850 /nfs/dbraw/zinc/44/38/50/343443850.db2.gz NZFLFZHICDEDON-SECBINFHSA-N 0 0 181.279 1.840 10 0 ADAERN CCNC(=O)[C@@H](C)C(C)C 69841112 343443964 /nfs/dbraw/zinc/44/39/64/343443964.db2.gz CPBNMWCJKPJLOV-ZETCQYMHSA-N 0 0 143.230 1.415 10 0 ADAERN CCNC(=O)[C@H](C)C(C)C 69841114 343444054 /nfs/dbraw/zinc/44/40/54/343444054.db2.gz CPBNMWCJKPJLOV-SSDOTTSWSA-N 0 0 143.230 1.415 10 0 ADAERN Nc1ncccc1C[C@@H]1CCCO1 69841381 343444451 /nfs/dbraw/zinc/44/44/51/343444451.db2.gz FWFBNCFOCIBBFB-VIFPVBQESA-N 0 0 178.235 1.385 10 0 ADAERN CCn1ccnc1-c1cccnc1N 69841429 343444461 /nfs/dbraw/zinc/44/44/61/343444461.db2.gz DOZMQWBXTJDOSQ-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Nc1ncccc1-c1cnccn1 69841431 343444465 /nfs/dbraw/zinc/44/44/65/343444465.db2.gz HJFZGSPIAYRPPN-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ncccc1C1CCOCC1 69841350 343444496 /nfs/dbraw/zinc/44/44/96/343444496.db2.gz JFTMFSLFXUNFOV-UHFFFAOYSA-N 0 0 178.235 1.558 10 0 ADAERN Cn1nccc1-c1cccnc1N 69841529 343444535 /nfs/dbraw/zinc/44/45/35/343444535.db2.gz UEARALAFKRFGGI-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Nc1ncccc1-c1cncnc1 69841422 343444569 /nfs/dbraw/zinc/44/45/69/343444569.db2.gz ZMHAGUPZKAGUIZ-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1ncccc1C[C@H]1CCCO1 69841382 343444593 /nfs/dbraw/zinc/44/45/93/343444593.db2.gz FWFBNCFOCIBBFB-SECBINFHSA-N 0 0 178.235 1.385 10 0 ADAERN Cn1cc(-c2cccnc2N)cn1 69841503 343444609 /nfs/dbraw/zinc/44/46/09/343444609.db2.gz YENLMDXMAWVBAP-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Nc1ncccc1-c1cncc(F)c1 69841460 343444652 /nfs/dbraw/zinc/44/46/52/343444652.db2.gz QCBUWLFOSWLWEK-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1ncccc1[C@@H]1CCOC1 69841406 343444671 /nfs/dbraw/zinc/44/46/71/343444671.db2.gz VINZFTDDJJUDDM-SSDOTTSWSA-N 0 0 164.208 1.168 10 0 ADAERN CCn1cc(-c2cccnc2N)cn1 69841464 343444695 /nfs/dbraw/zinc/44/46/95/343444695.db2.gz BNQSEWRRELXAGE-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Nc1ncccc1[C@H]1CCOC1 69841408 343444707 /nfs/dbraw/zinc/44/47/07/343444707.db2.gz VINZFTDDJJUDDM-ZETCQYMHSA-N 0 0 164.208 1.168 10 0 ADAERN Nc1ncccc1-c1ccoc1 69841480 343444754 /nfs/dbraw/zinc/44/47/54/343444754.db2.gz ROXANKDUFJAGFG-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN Nc1ncccc1-c1ccco1 69841379 343444763 /nfs/dbraw/zinc/44/47/63/343444763.db2.gz RFJXXHNHORTLIY-UHFFFAOYSA-N 0 0 160.176 1.924 10 0 ADAERN CCn1nccc1-c1cccnc1N 69841410 343444768 /nfs/dbraw/zinc/44/47/68/343444768.db2.gz MPXNDWMYMRNCNJ-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC(C)Cc1cccnc1N 69841334 343444779 /nfs/dbraw/zinc/44/47/79/343444779.db2.gz MPKMRZDINVKRAX-UHFFFAOYSA-N 0 0 150.225 1.862 10 0 ADAERN Cn1ccnc1-c1cccnc1N 69841531 343444787 /nfs/dbraw/zinc/44/47/87/343444787.db2.gz IKIAAQBTPWXBJP-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CCC(O)(CC)c1cccnc1N 69842515 343445085 /nfs/dbraw/zinc/44/50/85/343445085.db2.gz YNUGUOYUYNOADK-UHFFFAOYSA-N 0 0 180.251 1.671 10 0 ADAERN CC[C@@](C)(O)c1cccnc1N 69842494 343445151 /nfs/dbraw/zinc/44/51/51/343445151.db2.gz IVQAKWQZWWJIME-SECBINFHSA-N 0 0 166.224 1.281 10 0 ADAERN C[C@](O)(c1cccnc1N)C1CC1 69842563 343445185 /nfs/dbraw/zinc/44/51/85/343445185.db2.gz WATDTMRBKUFLOL-SNVBAGLBSA-N 0 0 178.235 1.281 10 0 ADAERN CC[C@](C)(O)c1cccnc1N 69842493 343445197 /nfs/dbraw/zinc/44/51/97/343445197.db2.gz IVQAKWQZWWJIME-VIFPVBQESA-N 0 0 166.224 1.281 10 0 ADAERN CC(C)[C@@](C)(O)c1cccnc1N 69842533 343445279 /nfs/dbraw/zinc/44/52/79/343445279.db2.gz UWTLRZMZWBGFIV-SNVBAGLBSA-N 0 0 180.251 1.527 10 0 ADAERN CC(C)[C@](C)(O)c1cccnc1N 69842531 343445347 /nfs/dbraw/zinc/44/53/47/343445347.db2.gz UWTLRZMZWBGFIV-JTQLQIEISA-N 0 0 180.251 1.527 10 0 ADAERN C[C@@](O)(c1cccnc1N)C1CC1 69842562 343445406 /nfs/dbraw/zinc/44/54/06/343445406.db2.gz WATDTMRBKUFLOL-JTQLQIEISA-N 0 0 178.235 1.281 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1cccnc1N 69842666 343445591 /nfs/dbraw/zinc/44/55/91/343445591.db2.gz LEVGYRUWPWYSIF-KWQFWETISA-N 0 0 194.278 1.917 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1cccnc1N 69842669 343445611 /nfs/dbraw/zinc/44/56/11/343445611.db2.gz LEVGYRUWPWYSIF-GZMMTYOYSA-N 0 0 194.278 1.917 10 0 ADAERN CC[C@@](O)(c1cccnc1N)C(C)C 69842698 343445702 /nfs/dbraw/zinc/44/57/02/343445702.db2.gz QGYSGFZLXFRCHX-NSHDSACASA-N 0 0 194.278 1.917 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1cccnc1N 69842663 343445788 /nfs/dbraw/zinc/44/57/88/343445788.db2.gz LEVGYRUWPWYSIF-KCJUWKMLSA-N 0 0 194.278 1.917 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1cccnc1N 69842667 343445884 /nfs/dbraw/zinc/44/58/84/343445884.db2.gz LEVGYRUWPWYSIF-LDYMZIIASA-N 0 0 194.278 1.917 10 0 ADAERN CC[C@](O)(c1cccnc1N)C(C)C 69842699 343445921 /nfs/dbraw/zinc/44/59/21/343445921.db2.gz QGYSGFZLXFRCHX-LLVKDONJSA-N 0 0 194.278 1.917 10 0 ADAERN Nc1ncccc1[C@H](O)c1ccco1 69843178 343446370 /nfs/dbraw/zinc/44/63/70/343446370.db2.gz FXPREAWPJDZUPP-VIFPVBQESA-N 0 0 190.202 1.339 10 0 ADAERN Nc1ncccc1[C@@H](O)c1ccco1 69843180 343446416 /nfs/dbraw/zinc/44/64/16/343446416.db2.gz FXPREAWPJDZUPP-SECBINFHSA-N 0 0 190.202 1.339 10 0 ADAERN Nc1ncccc1[C@@H](O)C1CC1 69843878 343446424 /nfs/dbraw/zinc/44/64/24/343446424.db2.gz CVPFKPVGTYLNEF-QMMMGPOBSA-N 0 0 164.208 1.107 10 0 ADAERN Nc1ncccc1[C@H](O)C1CC1 69843877 343446432 /nfs/dbraw/zinc/44/64/32/343446432.db2.gz CVPFKPVGTYLNEF-MRVPVSSYSA-N 0 0 164.208 1.107 10 0 ADAERN CC(C)[C@@H](O)c1cccnc1N 69843433 343446480 /nfs/dbraw/zinc/44/64/80/343446480.db2.gz TUNDCSHGFGTHSZ-MRVPVSSYSA-N 0 0 166.224 1.353 10 0 ADAERN CC(C)[C@H](O)c1cccnc1N 69843431 343446496 /nfs/dbraw/zinc/44/64/96/343446496.db2.gz TUNDCSHGFGTHSZ-QMMMGPOBSA-N 0 0 166.224 1.353 10 0 ADAERN CCC[C@@H](O)c1cccnc1N 69844141 343446715 /nfs/dbraw/zinc/44/67/15/343446715.db2.gz BGXDDRUUJCOQND-MRVPVSSYSA-N 0 0 166.224 1.497 10 0 ADAERN CC(C)(C)[C@H](O)c1cccnc1N 69844395 343446759 /nfs/dbraw/zinc/44/67/59/343446759.db2.gz ROJNZTAXKVADOT-MRVPVSSYSA-N 0 0 180.251 1.743 10 0 ADAERN CC(C)(C)[C@@H](O)c1cccnc1N 69844396 343446793 /nfs/dbraw/zinc/44/67/93/343446793.db2.gz ROJNZTAXKVADOT-QMMMGPOBSA-N 0 0 180.251 1.743 10 0 ADAERN CSCC(=O)C1CCC1 69984489 343464317 /nfs/dbraw/zinc/46/43/17/343464317.db2.gz DBCPRNHVUPAMLH-UHFFFAOYSA-N 0 0 144.239 1.719 10 0 ADAERN CC(C)C[C@H](O)c1cccnc1N 69844163 343446826 /nfs/dbraw/zinc/44/68/26/343446826.db2.gz GHSOXPDESPTIMK-VIFPVBQESA-N 0 0 180.251 1.743 10 0 ADAERN Nc1ncccc1C(=O)c1ccccn1 69844546 343446932 /nfs/dbraw/zinc/44/69/32/343446932.db2.gz QQMHRKDHDGLGOL-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN Nc1ncccc1C(=O)c1cccnc1 69844550 343446891 /nfs/dbraw/zinc/44/68/91/343446891.db2.gz BEXCKYUKMYIBPH-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN Nc1ncccc1C(=O)c1ccncc1 69844554 343446948 /nfs/dbraw/zinc/44/69/48/343446948.db2.gz YLHIFSTUJJTFQH-UHFFFAOYSA-N 0 0 199.213 1.290 10 0 ADAERN Nc1ncccc1[C@@H](O)C(F)(F)F 69844873 343446988 /nfs/dbraw/zinc/44/69/88/343446988.db2.gz WXWAUAUHBUTBJJ-RXMQYKEDSA-N 0 0 192.140 1.260 10 0 ADAERN CC[C@@H](C)C(=O)c1cccnc1N 69844701 343446994 /nfs/dbraw/zinc/44/69/94/343446994.db2.gz KORDPVOOAQPTIA-SSDOTTSWSA-N 0 0 178.235 1.893 10 0 ADAERN CSCC(=O)c1cccnc1N 69844677 343447013 /nfs/dbraw/zinc/44/70/13/343447013.db2.gz GUYKCHRGDGFJKY-UHFFFAOYSA-N 0 0 182.248 1.210 10 0 ADAERN CC(C)(C)C(=O)c1cccnc1N 69844599 343447024 /nfs/dbraw/zinc/44/70/24/343447024.db2.gz SKTKYRNGBDPSEO-UHFFFAOYSA-N 0 0 178.235 1.893 10 0 ADAERN CO[C@H]1CCC[C@@H](C(N)=S)C1 69848373 343447373 /nfs/dbraw/zinc/44/73/73/343447373.db2.gz SDPNNPGLHJXMEJ-RQJHMYQMSA-N 0 0 173.281 1.478 10 0 ADAERN CO[C@@H]1CCC[C@@H](C(N)=S)C1 69848370 343447396 /nfs/dbraw/zinc/44/73/96/343447396.db2.gz SDPNNPGLHJXMEJ-RNFRBKRXSA-N 0 0 173.281 1.478 10 0 ADAERN CO[C@H]1CCC[C@H](C(N)=S)C1 69848369 343447541 /nfs/dbraw/zinc/44/75/41/343447541.db2.gz SDPNNPGLHJXMEJ-BQBZGAKWSA-N 0 0 173.281 1.478 10 0 ADAERN O=C(C1CC1)[C@@H]1CCSC1 69983734 343464420 /nfs/dbraw/zinc/46/44/20/343464420.db2.gz QNKQVSCKBZKGKK-SSDOTTSWSA-N 0 0 156.250 1.719 10 0 ADAERN CO[C@@H]1CCC[C@H](n2cncn2)C1 69850236 343447918 /nfs/dbraw/zinc/44/79/18/343447918.db2.gz MRGBOIBPAXNHMD-DTWKUNHWSA-N 0 0 181.239 1.408 10 0 ADAERN CO[C@H]1CCC[C@@H](n2cncn2)C1 69850241 343447957 /nfs/dbraw/zinc/44/79/57/343447957.db2.gz MRGBOIBPAXNHMD-BDAKNGLRSA-N 0 0 181.239 1.408 10 0 ADAERN CCC(CC)[C@@H]1C[C@@H](O)CCO1 69850562 343448253 /nfs/dbraw/zinc/44/82/53/343448253.db2.gz FFHNNRBENAVSFV-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN O=C1CCO[C@@H](C2CCOCC2)C1 69850930 343448233 /nfs/dbraw/zinc/44/82/33/343448233.db2.gz DJKMPVIVTDSHGN-SNVBAGLBSA-N 0 0 184.235 1.161 10 0 ADAERN O[C@H]1CCO[C@@H](c2ccoc2)C1 69850597 343448237 /nfs/dbraw/zinc/44/82/37/343448237.db2.gz BOUVFRLQRSBHTR-DTWKUNHWSA-N 0 0 168.192 1.492 10 0 ADAERN O[C@@H]1CCO[C@@H](c2ccoc2)C1 69850594 343448239 /nfs/dbraw/zinc/44/82/39/343448239.db2.gz BOUVFRLQRSBHTR-RKDXNWHRSA-N 0 0 168.192 1.492 10 0 ADAERN O[C@H]1CCO[C@H](c2ccoc2)C1 69850596 343448241 /nfs/dbraw/zinc/44/82/41/343448241.db2.gz BOUVFRLQRSBHTR-IUCAKERBSA-N 0 0 168.192 1.492 10 0 ADAERN O=C1CCO[C@@H](c2ccco2)C1 69850970 343448245 /nfs/dbraw/zinc/44/82/45/343448245.db2.gz JJBNYWHZQSSEBS-SECBINFHSA-N 0 0 166.176 1.700 10 0 ADAERN O=C1CCO[C@H]([C@H]2CCCOC2)C1 69850920 343448248 /nfs/dbraw/zinc/44/82/48/343448248.db2.gz FDZIGZSROZNWQK-WPRPVWTQSA-N 0 0 184.235 1.161 10 0 ADAERN CCC(CC)[C@H]1C[C@H](O)CCO1 69850561 343448251 /nfs/dbraw/zinc/44/82/51/343448251.db2.gz FFHNNRBENAVSFV-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN O[C@H]1CCO[C@@H](c2ccccn2)C1 69850606 343448258 /nfs/dbraw/zinc/44/82/58/343448258.db2.gz OEMDWMCVQOSFLI-WCBMZHEXSA-N 0 0 179.219 1.294 10 0 ADAERN O=C1CCO[C@H](c2ccco2)C1 69850969 343448275 /nfs/dbraw/zinc/44/82/75/343448275.db2.gz JJBNYWHZQSSEBS-VIFPVBQESA-N 0 0 166.176 1.700 10 0 ADAERN CCCC[C@H]1CC(=O)CCO1 69850937 343448279 /nfs/dbraw/zinc/44/82/79/343448279.db2.gz SKCKEZMFEBRJPD-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN O=C1CCO[C@@H](c2ccoc2)C1 69850940 343448294 /nfs/dbraw/zinc/44/82/94/343448294.db2.gz ZRDBGBKNAWWIDG-SECBINFHSA-N 0 0 166.176 1.700 10 0 ADAERN O=C1CCO[C@@H](Cc2ccccc2)C1 69850848 343448297 /nfs/dbraw/zinc/44/82/97/343448297.db2.gz IFQBLJWWGJQPAJ-LBPRGKRZSA-N 0 0 190.242 1.977 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H](O)CCO2)o1 69850545 343448306 /nfs/dbraw/zinc/44/83/06/343448306.db2.gz AHKZRFYCTISXME-WPRPVWTQSA-N 0 0 182.219 1.800 10 0 ADAERN O[C@@H]1CCO[C@@H](c2ccccn2)C1 69850604 343448338 /nfs/dbraw/zinc/44/83/38/343448338.db2.gz OEMDWMCVQOSFLI-PSASIEDQSA-N 0 0 179.219 1.294 10 0 ADAERN O=C1CCO[C@H](C2CCCC2)C1 69850961 343448353 /nfs/dbraw/zinc/44/83/53/343448353.db2.gz LONRHJFTTVNULF-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CCC(CC)[C@H]1C[C@@H](O)CCO1 69850564 343448380 /nfs/dbraw/zinc/44/83/80/343448380.db2.gz FFHNNRBENAVSFV-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@@H](C)[C@H]1CC(=O)CCO1 69850916 343448384 /nfs/dbraw/zinc/44/83/84/343448384.db2.gz BGAMNMZRZWOECC-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN O=C1CCO[C@@H]([C@H]2CCCOC2)C1 69850922 343448391 /nfs/dbraw/zinc/44/83/91/343448391.db2.gz FDZIGZSROZNWQK-WCBMZHEXSA-N 0 0 184.235 1.161 10 0 ADAERN O=C1CCO[C@@H](c2ccccn2)C1 69850942 343448394 /nfs/dbraw/zinc/44/83/94/343448394.db2.gz VKUNCTJNEMBEKX-SNVBAGLBSA-N 0 0 177.203 1.502 10 0 ADAERN O=C1CCO[C@@H]([C@@H]2CCCOC2)C1 69850924 343448396 /nfs/dbraw/zinc/44/83/96/343448396.db2.gz FDZIGZSROZNWQK-PSASIEDQSA-N 0 0 184.235 1.161 10 0 ADAERN O=C1CCO[C@H](Cc2ccccc2)C1 69850847 343448407 /nfs/dbraw/zinc/44/84/07/343448407.db2.gz IFQBLJWWGJQPAJ-GFCCVEGCSA-N 0 0 190.242 1.977 10 0 ADAERN CCC(CC)[C@@H]1C[C@H](O)CCO1 69850560 343448411 /nfs/dbraw/zinc/44/84/11/343448411.db2.gz FFHNNRBENAVSFV-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C)[C@H]1CC(=O)CCO1 69850918 343448424 /nfs/dbraw/zinc/44/84/24/343448424.db2.gz BGAMNMZRZWOECC-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1ccc([C@H]2C[C@H](O)CCO2)o1 69850544 343448430 /nfs/dbraw/zinc/44/84/30/343448430.db2.gz AHKZRFYCTISXME-PSASIEDQSA-N 0 0 182.219 1.800 10 0 ADAERN O=C1CCO[C@@H](C2CCCC2)C1 69850962 343448434 /nfs/dbraw/zinc/44/84/34/343448434.db2.gz LONRHJFTTVNULF-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN CC[C@@H](C)[C@@H]1CC(=O)CCO1 69850913 343448447 /nfs/dbraw/zinc/44/84/47/343448447.db2.gz BGAMNMZRZWOECC-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN CCCC[C@@H]1C[C@@H](O)CCO1 69850742 343448459 /nfs/dbraw/zinc/44/84/59/343448459.db2.gz OTJSOGHLYLROIK-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN Cc1ccc([C@H]2C[C@@H](O)CCO2)o1 69850546 343448462 /nfs/dbraw/zinc/44/84/62/343448462.db2.gz AHKZRFYCTISXME-WCBMZHEXSA-N 0 0 182.219 1.800 10 0 ADAERN CCCC[C@@H]1CC(=O)CCO1 69850935 343448468 /nfs/dbraw/zinc/44/84/68/343448468.db2.gz SKCKEZMFEBRJPD-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN O[C@H]1CCO[C@H](c2ccccn2)C1 69850605 343448475 /nfs/dbraw/zinc/44/84/75/343448475.db2.gz OEMDWMCVQOSFLI-WPRPVWTQSA-N 0 0 179.219 1.294 10 0 ADAERN CC[C@H](C)[C@@H]1CC(=O)CCO1 69850915 343448498 /nfs/dbraw/zinc/44/84/98/343448498.db2.gz BGAMNMZRZWOECC-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN O[C@@H]1CCO[C@H](c2ccoc2)C1 69850593 343448502 /nfs/dbraw/zinc/44/85/02/343448502.db2.gz BOUVFRLQRSBHTR-BDAKNGLRSA-N 0 0 168.192 1.492 10 0 ADAERN O=C1CCO[C@H](c2ccoc2)C1 69850939 343448507 /nfs/dbraw/zinc/44/85/07/343448507.db2.gz ZRDBGBKNAWWIDG-VIFPVBQESA-N 0 0 166.176 1.700 10 0 ADAERN CC(C)(C)C[C@H]1C[C@@H](O)CCO1 69850826 343448509 /nfs/dbraw/zinc/44/85/09/343448509.db2.gz JRPVTBRIXZMIOP-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)(C)C[C@H]1C[C@H](O)CCO1 69850823 343448519 /nfs/dbraw/zinc/44/85/19/343448519.db2.gz JRPVTBRIXZMIOP-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN O=C1CCO[C@H](c2ccccn2)C1 69850941 343448522 /nfs/dbraw/zinc/44/85/22/343448522.db2.gz VKUNCTJNEMBEKX-JTQLQIEISA-N 0 0 177.203 1.502 10 0 ADAERN O=C1CCO[C@H]([C@@H]2CCCOC2)C1 69850921 343448529 /nfs/dbraw/zinc/44/85/29/343448529.db2.gz FDZIGZSROZNWQK-SCZZXKLOSA-N 0 0 184.235 1.161 10 0 ADAERN CC(C)(C)C[C@@H]1C[C@@H](O)CCO1 69850825 343448537 /nfs/dbraw/zinc/44/85/37/343448537.db2.gz JRPVTBRIXZMIOP-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN CCCC[C@H]1C[C@H](O)CCO1 69850741 343448541 /nfs/dbraw/zinc/44/85/41/343448541.db2.gz OTJSOGHLYLROIK-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CCCC[C@@H]1C[C@H](O)CCO1 69850740 343448553 /nfs/dbraw/zinc/44/85/53/343448553.db2.gz OTJSOGHLYLROIK-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CCCC[C@H]1C[C@@H](O)CCO1 69850743 343448556 /nfs/dbraw/zinc/44/85/56/343448556.db2.gz OTJSOGHLYLROIK-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN O=C1CCO[C@H](C2CCOCC2)C1 69850929 343448567 /nfs/dbraw/zinc/44/85/67/343448567.db2.gz DJKMPVIVTDSHGN-JTQLQIEISA-N 0 0 184.235 1.161 10 0 ADAERN C[C@@]1(C2CC2)C[C@H](O)CCO1 69852715 343449125 /nfs/dbraw/zinc/44/91/25/343449125.db2.gz OTJZEVXHCFXTMW-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@]1(c2cccnc2)C[C@@H](O)CCO1 69852706 343449122 /nfs/dbraw/zinc/44/91/22/343449122.db2.gz NKCYBDHUOIKDTI-WDEREUQCSA-N 0 0 193.246 1.468 10 0 ADAERN CC[C@H](C)[C@@]1(C)C[C@H](O)CCO1 69852502 343449123 /nfs/dbraw/zinc/44/91/23/343449123.db2.gz UDLSEKJLXUWWMZ-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ccc([C@]2(C)C[C@@H](O)CCO2)o1 69852797 343449219 /nfs/dbraw/zinc/44/92/19/343449219.db2.gz UKBGVKDHMAAEOW-ONGXEEELSA-N 0 0 196.246 1.975 10 0 ADAERN CC(C)[C@]1(C)CC(=O)CCO1 69853188 343449299 /nfs/dbraw/zinc/44/92/99/343449299.db2.gz RLNVAJHMPHWPCZ-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN CC[C@@]1(C(C)C)C[C@@H](O)CCO1 69852962 343449316 /nfs/dbraw/zinc/44/93/16/343449316.db2.gz DTBFSVZZTAQAHA-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@]1(c2ccncc2)C[C@H](O)CCO1 69852822 343449337 /nfs/dbraw/zinc/44/93/37/343449337.db2.gz TYYNJUJYMIXMIV-MNOVXSKESA-N 0 0 193.246 1.468 10 0 ADAERN C[C@@]1(Cc2ccco2)CC(=O)CCO1 69853231 343449373 /nfs/dbraw/zinc/44/93/73/343449373.db2.gz SVPRMUIXDLURQO-NSHDSACASA-N 0 0 194.230 1.960 10 0 ADAERN C[C@]1(c2cccnc2)CC(=O)CCO1 69853273 343449383 /nfs/dbraw/zinc/44/93/83/343449383.db2.gz PCGUWAPZNNWWSA-LLVKDONJSA-N 0 0 191.230 1.676 10 0 ADAERN CC(C)[C@@]1(C)CC(=O)CCO1 69853193 343449391 /nfs/dbraw/zinc/44/93/91/343449391.db2.gz RLNVAJHMPHWPCZ-SECBINFHSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@@]1(c2ccccn2)CC(=O)CCO1 69853170 343449395 /nfs/dbraw/zinc/44/93/95/343449395.db2.gz XZFFBXLAWYSSNK-NSHDSACASA-N 0 0 191.230 1.676 10 0 ADAERN C[C@]1(c2ccncc2)C[C@@H](O)CCO1 69852824 343449401 /nfs/dbraw/zinc/44/94/01/343449401.db2.gz TYYNJUJYMIXMIV-WDEREUQCSA-N 0 0 193.246 1.468 10 0 ADAERN CC[C@]1(C(C)C)C[C@H](O)CCO1 69852956 343449480 /nfs/dbraw/zinc/44/94/80/343449480.db2.gz DTBFSVZZTAQAHA-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@]1(c2ccncc2)C[C@H](O)CCO1 69852821 343449483 /nfs/dbraw/zinc/44/94/83/343449483.db2.gz TYYNJUJYMIXMIV-GHMZBOCLSA-N 0 0 193.246 1.468 10 0 ADAERN C[C@]1(Cc2ccco2)CC(=O)CCO1 69853229 343449499 /nfs/dbraw/zinc/44/94/99/343449499.db2.gz SVPRMUIXDLURQO-LLVKDONJSA-N 0 0 194.230 1.960 10 0 ADAERN CC[C@]1(C(C)C)C[C@@H](O)CCO1 69852961 343449526 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CC[C@H]1C[C@@](O)(C(C)C)CCO1 69895957 343452763 /nfs/dbraw/zinc/45/27/63/343452763.db2.gz QDAUVQRMPWIRKI-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CCC[C@]1(O)CCO[C@H](C)C1 69895271 343452787 /nfs/dbraw/zinc/45/27/87/343452787.db2.gz KNXOZLXYAXZXGW-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CC(C)[C@]1(O)CCO[C@H](C)C1 69895406 343452811 /nfs/dbraw/zinc/45/28/11/343452811.db2.gz GGDHUDMTOHRCTN-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)[C@]1(O)CCO[C@@H](C)C1 69895408 343452832 /nfs/dbraw/zinc/45/28/32/343452832.db2.gz GGDHUDMTOHRCTN-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H]1C[C@](O)(c2ccoc2)CCO1 69895481 343452839 /nfs/dbraw/zinc/45/28/39/343452839.db2.gz LDDOLXUPWDJCTC-SCZZXKLOSA-N 0 0 182.219 1.666 10 0 ADAERN CC[C@]1(O)CCO[C@H](C)C1 69895598 343452841 /nfs/dbraw/zinc/45/28/41/343452841.db2.gz QBOMMFDXNWEVPH-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@H]1C[C@](O)(C(C)C)CCO1 69895952 343452847 /nfs/dbraw/zinc/45/28/47/343452847.db2.gz QDAUVQRMPWIRKI-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)[C@@]1(O)CCO[C@H](C)C1 69895410 343452852 /nfs/dbraw/zinc/45/28/52/343452852.db2.gz GGDHUDMTOHRCTN-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccoc2)CCO1 69895484 343452860 /nfs/dbraw/zinc/45/28/60/343452860.db2.gz LDDOLXUPWDJCTC-PSASIEDQSA-N 0 0 182.219 1.666 10 0 ADAERN CC[C@@]1(O)CCO[C@@H](C)C1 69895606 343452884 /nfs/dbraw/zinc/45/28/84/343452884.db2.gz QBOMMFDXNWEVPH-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCC[C@@]1(O)CCO[C@H](C)C1 69895274 343452909 /nfs/dbraw/zinc/45/29/09/343452909.db2.gz KNXOZLXYAXZXGW-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@H]1C[C@](O)(c2cccnc2)CCO1 69895706 343452914 /nfs/dbraw/zinc/45/29/14/343452914.db2.gz VCWJOBPCOXYTCL-ONGXEEELSA-N 0 0 193.246 1.468 10 0 ADAERN CC(C)[C@@]1(O)CCO[C@@H](C)C1 69895412 343452924 /nfs/dbraw/zinc/45/29/24/343452924.db2.gz GGDHUDMTOHRCTN-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@@H]1C[C@@](O)(C(C)C)CCO1 69895954 343452926 /nfs/dbraw/zinc/45/29/26/343452926.db2.gz 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/nfs/dbraw/zinc/45/30/16/343453016.db2.gz BHZCOVHKSAOSEH-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@H]1C[C@@](O)(c2cccnc2)CCO1 69895711 343453018 /nfs/dbraw/zinc/45/30/18/343453018.db2.gz VCWJOBPCOXYTCL-GXSJLCMTSA-N 0 0 193.246 1.468 10 0 ADAERN C[C@@H]1C[C@](O)(c2cccnc2)CCO1 69895705 343453102 /nfs/dbraw/zinc/45/31/02/343453102.db2.gz VCWJOBPCOXYTCL-KOLCDFICSA-N 0 0 193.246 1.468 10 0 ADAERN C[C@@H]1C[C@@](O)(c2cccnc2)CCO1 69895708 343453134 /nfs/dbraw/zinc/45/31/34/343453134.db2.gz VCWJOBPCOXYTCL-MWLCHTKSSA-N 0 0 193.246 1.468 10 0 ADAERN CCC[C@@]1(O)CCO[C@@H](C)C1 69895279 343453137 /nfs/dbraw/zinc/45/31/37/343453137.db2.gz KNXOZLXYAXZXGW-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@@H]1C[C@](C)(O)CCO1 69896111 343453314 /nfs/dbraw/zinc/45/33/14/343453314.db2.gz RURSUJFUFRBOEV-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN CC(C)[C@@H]1C[C@@](C)(O)CCO1 69896600 343453337 /nfs/dbraw/zinc/45/33/37/343453337.db2.gz SQAIFXJOLHLSCQ-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN 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158.241 1.572 10 0 ADAERN CC[C@]1(C)C[C@@](C)(O)CCO1 69897045 343453452 /nfs/dbraw/zinc/45/34/52/343453452.db2.gz PWFNTGGGUKDEOB-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN CC(C)[C@]1(O)CCOC(C)(C)C1 69896735 343453470 /nfs/dbraw/zinc/45/34/70/343453470.db2.gz LXLSGPJTHPEGCA-JTQLQIEISA-N 0 0 172.268 1.963 10 0 ADAERN CC1(C)C[C@@](C)(O)CCO1 69896832 343453523 /nfs/dbraw/zinc/45/35/23/343453523.db2.gz IWXWZPOCJPWVAD-QMMMGPOBSA-N 0 0 144.214 1.326 10 0 ADAERN CC1(C)C[C@](C)(O)CCO1 69896834 343453561 /nfs/dbraw/zinc/45/35/61/343453561.db2.gz IWXWZPOCJPWVAD-MRVPVSSYSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@H]1C[C@@](C)(O)CCO1 69896108 343453576 /nfs/dbraw/zinc/45/35/76/343453576.db2.gz RURSUJFUFRBOEV-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@@H]1C[C@@](C)(O)CCO1 69896107 343453586 /nfs/dbraw/zinc/45/35/86/343453586.db2.gz RURSUJFUFRBOEV-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CC(C)[C@@H]1C[C@](C)(O)CCO1 69896604 343453589 /nfs/dbraw/zinc/45/35/89/343453589.db2.gz 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/nfs/dbraw/zinc/45/39/62/343453962.db2.gz ROUQFIOZNRQKTQ-WDSKDSINSA-N 0 0 184.157 1.479 10 0 ADAERN CC[C@H]1C[C@@](O)(C(F)(F)F)CCO1 69898475 343454013 /nfs/dbraw/zinc/45/40/13/343454013.db2.gz JIMTVJRYUXSKRR-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN CC1(C)C[C@](O)(C(F)(F)F)CCO1 69898434 343454016 /nfs/dbraw/zinc/45/40/16/343454016.db2.gz QPCCHGYYCMDJBY-ZETCQYMHSA-N 0 0 198.184 1.869 10 0 ADAERN CC[C@H]1C[C@](O)(C(F)(F)F)CCO1 69898470 343454079 /nfs/dbraw/zinc/45/40/79/343454079.db2.gz JIMTVJRYUXSKRR-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN C[C@@H]1C[C@](O)(C(F)(F)F)CCO1 69898477 343454128 /nfs/dbraw/zinc/45/41/28/343454128.db2.gz ROUQFIOZNRQKTQ-RITPCOANSA-N 0 0 184.157 1.479 10 0 ADAERN C[C@@H]1C[C@@](O)(C(F)(F)F)CCO1 69898485 343454191 /nfs/dbraw/zinc/45/41/91/343454191.db2.gz ROUQFIOZNRQKTQ-PHDIDXHHSA-N 0 0 184.157 1.479 10 0 ADAERN C[C@H]1C[C@](N)(C(F)(F)F)CCO1 69899931 343454322 /nfs/dbraw/zinc/45/43/22/343454322.db2.gz TZJROXBPZDTCEO-WDSKDSINSA-N 0 0 183.173 1.445 10 0 ADAERN CC[C@H]1C[C@@](N)(C(F)(F)F)CCO1 69899911 343454344 /nfs/dbraw/zinc/45/43/44/343454344.db2.gz YDDGIHYSBSKNPF-NKWVEPMBSA-N 0 0 197.200 1.835 10 0 ADAERN CC1(C)C[C@](N)(C(F)(F)F)CCO1 69899941 343454357 /nfs/dbraw/zinc/45/43/57/343454357.db2.gz SOJHSDFAAQYHEE-ZETCQYMHSA-N 0 0 197.200 1.835 10 0 ADAERN CC[C@@H]1C[C@@](N)(C(F)(F)F)CCO1 69899907 343454421 /nfs/dbraw/zinc/45/44/21/343454421.db2.gz YDDGIHYSBSKNPF-RNFRBKRXSA-N 0 0 197.200 1.835 10 0 ADAERN C[C@@H]1C[C@](N)(C(F)(F)F)CCO1 69899926 343454436 /nfs/dbraw/zinc/45/44/36/343454436.db2.gz TZJROXBPZDTCEO-RITPCOANSA-N 0 0 183.173 1.445 10 0 ADAERN CC[C@H]1C[C@](N)(C(F)(F)F)CCO1 69899904 343454437 /nfs/dbraw/zinc/45/44/37/343454437.db2.gz YDDGIHYSBSKNPF-BQBZGAKWSA-N 0 0 197.200 1.835 10 0 ADAERN CC1(C)C[C@@](N)(C(F)(F)F)CCO1 69899945 343454511 /nfs/dbraw/zinc/45/45/11/343454511.db2.gz SOJHSDFAAQYHEE-SSDOTTSWSA-N 0 0 197.200 1.835 10 0 ADAERN CC[C@@H]1C[C@](N)(C(F)(F)F)CCO1 69899901 343454528 /nfs/dbraw/zinc/45/45/28/343454528.db2.gz YDDGIHYSBSKNPF-RQJHMYQMSA-N 0 0 197.200 1.835 10 0 ADAERN C[C@H]1C[C@@]2(CCO1)CC(=O)CCO2 69900302 343454792 /nfs/dbraw/zinc/45/47/92/343454792.db2.gz YUWIMKGVXLGSOS-WPRPVWTQSA-N 0 0 184.235 1.304 10 0 ADAERN CC[C@H]1C[C@@]2(CCO1)CC(=O)CCO2 69900311 343454877 /nfs/dbraw/zinc/45/48/77/343454877.db2.gz WXOKIQAVEIGLCB-WDEREUQCSA-N 0 0 198.262 1.694 10 0 ADAERN CC1(C)C[C@@]2(CCO1)CC(=O)CCO2 69900278 343454898 /nfs/dbraw/zinc/45/48/98/343454898.db2.gz FITWWSJDEYDCPI-LLVKDONJSA-N 0 0 198.262 1.694 10 0 ADAERN C[C@H]1C[C@]2(CCO1)CC(=O)CCO2 69900307 343454944 /nfs/dbraw/zinc/45/49/44/343454944.db2.gz YUWIMKGVXLGSOS-WCBMZHEXSA-N 0 0 184.235 1.304 10 0 ADAERN C[C@@H]1C[C@]2(CCO1)CC(=O)CCO2 69900305 343454952 /nfs/dbraw/zinc/45/49/52/343454952.db2.gz YUWIMKGVXLGSOS-PSASIEDQSA-N 0 0 184.235 1.304 10 0 ADAERN C[C@@H]1C[C@@]2(CCO1)CC(=O)CCO2 69900298 343454982 /nfs/dbraw/zinc/45/49/82/343454982.db2.gz YUWIMKGVXLGSOS-SCZZXKLOSA-N 0 0 184.235 1.304 10 0 ADAERN CC[C@H]1C[C@]2(CCO1)CC(=O)CCO2 69900318 343455031 /nfs/dbraw/zinc/45/50/31/343455031.db2.gz WXOKIQAVEIGLCB-QWRGUYRKSA-N 0 0 198.262 1.694 10 0 ADAERN CC[C@@H]1C[C@@]2(CCO1)CC(=O)CCO2 69900310 343455035 /nfs/dbraw/zinc/45/50/35/343455035.db2.gz WXOKIQAVEIGLCB-GHMZBOCLSA-N 0 0 198.262 1.694 10 0 ADAERN CC1(C)C[C@]2(CCO1)CC(=O)CCO2 69900281 343455042 /nfs/dbraw/zinc/45/50/42/343455042.db2.gz FITWWSJDEYDCPI-NSHDSACASA-N 0 0 198.262 1.694 10 0 ADAERN COC[C@H](C)[C@H]1CCCC1=O 69906168 343455252 /nfs/dbraw/zinc/45/52/52/343455252.db2.gz VJQGYTWGCLFCTJ-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN O=Cc1c[nH]c(Cc2cccs2)n1 69906773 343455234 /nfs/dbraw/zinc/45/52/34/343455234.db2.gz CPFMOCJAKDVXLD-UHFFFAOYSA-N 0 0 192.243 1.875 10 0 ADAERN Cc1cccnc1-c1nc(C=O)c[nH]1 69906724 343455238 /nfs/dbraw/zinc/45/52/38/343455238.db2.gz MDOADPPGXXNICR-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN O=Cc1c[nH]c(Cc2cccnc2)n1 69906711 343455240 /nfs/dbraw/zinc/45/52/40/343455240.db2.gz HGKQFRXXHHBHFZ-UHFFFAOYSA-N 0 0 187.202 1.208 10 0 ADAERN COC[C@@H](C)[C@@H]1CCCC1=O 69906166 343455244 /nfs/dbraw/zinc/45/52/44/343455244.db2.gz VJQGYTWGCLFCTJ-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN COC[C@@H](C)c1cccnc1N 69906477 343455249 /nfs/dbraw/zinc/45/52/49/343455249.db2.gz NFTBTDUXVWXDEV-SSDOTTSWSA-N 0 0 166.224 1.414 10 0 ADAERN COC[C@H](C)n1ccnc1C 69906442 343455271 /nfs/dbraw/zinc/45/52/71/343455271.db2.gz WFBNFJPCCAANIJ-ZETCQYMHSA-N 0 0 154.213 1.399 10 0 ADAERN COC[C@@H](C)n1ccnc1C 69906443 343455274 /nfs/dbraw/zinc/45/52/74/343455274.db2.gz WFBNFJPCCAANIJ-SSDOTTSWSA-N 0 0 154.213 1.399 10 0 ADAERN COC[C@@H](C)[C@H]1CCCC1=O 69906169 343455307 /nfs/dbraw/zinc/45/53/07/343455307.db2.gz VJQGYTWGCLFCTJ-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN COC[C@@H](C)n1cccn1 69906437 343455333 /nfs/dbraw/zinc/45/53/33/343455333.db2.gz QLMWKXZGJOAASH-SSDOTTSWSA-N 0 0 140.186 1.091 10 0 ADAERN COC[C@H](C)[C@@H]1CCCC1=O 69906165 343455337 /nfs/dbraw/zinc/45/53/37/343455337.db2.gz VJQGYTWGCLFCTJ-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN CC(C)Cc1nc(C=O)c[nH]1 69906752 343455343 /nfs/dbraw/zinc/45/53/43/343455343.db2.gz GLFULFPNENOSTK-UHFFFAOYSA-N 0 0 152.197 1.421 10 0 ADAERN O=Cc1c[nH]c(N2CCCCC2)n1 69906732 343455345 /nfs/dbraw/zinc/45/53/45/343455345.db2.gz SAGYRTMMSNNYMU-UHFFFAOYSA-N 0 0 179.223 1.213 10 0 ADAERN O=Cc1c[nH]c(C2CCCC2)n1 69906763 343455358 /nfs/dbraw/zinc/45/53/58/343455358.db2.gz KBOYGCBUBYCILE-UHFFFAOYSA-N 0 0 164.208 1.880 10 0 ADAERN Cc1cccc(-c2nc(C=O)c[nH]2)n1 69906735 343455366 /nfs/dbraw/zinc/45/53/66/343455366.db2.gz RZYCQXQYRKRNPF-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN CC(C)(C)Cc1nc(C=O)c[nH]1 69906785 343455379 /nfs/dbraw/zinc/45/53/79/343455379.db2.gz BLCBKPQQVLHNAO-UHFFFAOYSA-N 0 0 166.224 1.811 10 0 ADAERN O=Cc1c[nH]c(CC(F)(F)F)n1 69906786 343455436 /nfs/dbraw/zinc/45/54/36/343455436.db2.gz FBBFEKRVULJSQP-UHFFFAOYSA-N 0 0 178.113 1.327 10 0 ADAERN O=Cc1c[nH]c(-c2cccs2)n1 69906741 343455440 /nfs/dbraw/zinc/45/54/40/343455440.db2.gz NYHVTYZXBCIVKJ-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN COC[C@H](C)n1cccn1 69906436 343455444 /nfs/dbraw/zinc/45/54/44/343455444.db2.gz QLMWKXZGJOAASH-ZETCQYMHSA-N 0 0 140.186 1.091 10 0 ADAERN COC[C@H](C)c1cccnc1N 69906476 343455446 /nfs/dbraw/zinc/45/54/46/343455446.db2.gz NFTBTDUXVWXDEV-ZETCQYMHSA-N 0 0 166.224 1.414 10 0 ADAERN CSCc1nc(C=O)c[nH]1 69906723 343455460 /nfs/dbraw/zinc/45/54/60/343455460.db2.gz LJGUVMFGXBFOSU-UHFFFAOYSA-N 0 0 156.210 1.085 10 0 ADAERN C[C@H]1CN(C(N)=S)C[C@H](C)S1 69908944 343455722 /nfs/dbraw/zinc/45/57/22/343455722.db2.gz MVSWPQUUGPYIKA-WDSKDSINSA-N 0 0 190.337 1.056 10 0 ADAERN C[C@@H]1CN(C(N)=S)C[C@@H](C)S1 69908945 343455776 /nfs/dbraw/zinc/45/57/76/343455776.db2.gz MVSWPQUUGPYIKA-PHDIDXHHSA-N 0 0 190.337 1.056 10 0 ADAERN OC1([C@H]2COc3ccccc32)CC1 69938455 343455805 /nfs/dbraw/zinc/45/58/05/343455805.db2.gz RUWVUSBPANVCQE-VIFPVBQESA-N 0 0 176.215 1.688 10 0 ADAERN C[C@H]1CN(C(N)=S)C[C@@H](C)S1 69908942 343455848 /nfs/dbraw/zinc/45/58/48/343455848.db2.gz MVSWPQUUGPYIKA-OLQVQODUSA-N 0 0 190.337 1.056 10 0 ADAERN OC1([C@@H]2COc3ccccc32)CC1 69938454 343456068 /nfs/dbraw/zinc/45/60/68/343456068.db2.gz RUWVUSBPANVCQE-SECBINFHSA-N 0 0 176.215 1.688 10 0 ADAERN CC[C@H](O)c1c(C)ccnc1N 69941952 343457372 /nfs/dbraw/zinc/45/73/72/343457372.db2.gz NQDLQDKYZXKEAK-ZETCQYMHSA-N 0 0 166.224 1.416 10 0 ADAERN CC[C@@H](O)c1c(C)ccnc1N 69941953 343457410 /nfs/dbraw/zinc/45/74/10/343457410.db2.gz NQDLQDKYZXKEAK-SSDOTTSWSA-N 0 0 166.224 1.416 10 0 ADAERN Cc1ccnc(N)c1[C@@H](C)O 69941948 343457427 /nfs/dbraw/zinc/45/74/27/343457427.db2.gz SYPDYUXBORFRNG-ZCFIWIBFSA-N 0 0 152.197 1.026 10 0 ADAERN CC[C@@](C)(O)c1c(C)ccnc1N 69941720 343457438 /nfs/dbraw/zinc/45/74/38/343457438.db2.gz SESGKUHOXCBVAK-SNVBAGLBSA-N 0 0 180.251 1.590 10 0 ADAERN CC[C@](C)(O)c1c(C)ccnc1N 69941719 343457467 /nfs/dbraw/zinc/45/74/67/343457467.db2.gz SESGKUHOXCBVAK-JTQLQIEISA-N 0 0 180.251 1.590 10 0 ADAERN CC(C)[C@H](O)Cc1ccnc(N)c1 69941859 343457471 /nfs/dbraw/zinc/45/74/71/343457471.db2.gz VCHBXDVMIFQCQF-SECBINFHSA-N 0 0 180.251 1.223 10 0 ADAERN Cc1ccnc(N)c1[C@@H](O)C1CC1 69941906 343457476 /nfs/dbraw/zinc/45/74/76/343457476.db2.gz NWCYSIMQBMYODO-VIFPVBQESA-N 0 0 178.235 1.416 10 0 ADAERN CC(C)(C)[C@H](O)Cc1ccnc(N)c1 69941981 343457494 /nfs/dbraw/zinc/45/74/94/343457494.db2.gz BBWHMYQRFDKQGB-SECBINFHSA-N 0 0 194.278 1.613 10 0 ADAERN C[C@](O)(Cc1ccnc(N)c1)C1CC1 69941735 343457534 /nfs/dbraw/zinc/45/75/34/343457534.db2.gz FLVVMCKGMRZHSP-NSHDSACASA-N 0 0 192.262 1.367 10 0 ADAERN Cc1ccnc(N)c1[C@H](C)O 69941949 343457566 /nfs/dbraw/zinc/45/75/66/343457566.db2.gz SYPDYUXBORFRNG-LURJTMIESA-N 0 0 152.197 1.026 10 0 ADAERN C[C@@](O)(Cc1ccnc(N)c1)C1CC1 69941734 343457573 /nfs/dbraw/zinc/45/75/73/343457573.db2.gz FLVVMCKGMRZHSP-LLVKDONJSA-N 0 0 192.262 1.367 10 0 ADAERN Cc1ccnc(N)c1[C@H](O)C1CC1 69941905 343457582 /nfs/dbraw/zinc/45/75/82/343457582.db2.gz NWCYSIMQBMYODO-SECBINFHSA-N 0 0 178.235 1.416 10 0 ADAERN CC(C)[C@@H](O)Cc1ccnc(N)c1 69941861 343457594 /nfs/dbraw/zinc/45/75/94/343457594.db2.gz VCHBXDVMIFQCQF-VIFPVBQESA-N 0 0 180.251 1.223 10 0 ADAERN CC(C)[C@](C)(O)Cc1ccnc(N)c1 69941729 343457599 /nfs/dbraw/zinc/45/75/99/343457599.db2.gz SVGFPPXAHWNBME-LLVKDONJSA-N 0 0 194.278 1.613 10 0 ADAERN Cc1ccnc(N)c1[C@@H](O)C(C)C 69941858 343457640 /nfs/dbraw/zinc/45/76/40/343457640.db2.gz XNTROSWZTGIKMB-VIFPVBQESA-N 0 0 180.251 1.662 10 0 ADAERN CC(C)[C@@](C)(O)Cc1ccnc(N)c1 69941730 343457649 /nfs/dbraw/zinc/45/76/49/343457649.db2.gz SVGFPPXAHWNBME-NSHDSACASA-N 0 0 194.278 1.613 10 0 ADAERN Cc1ccnc(N)c1[C@H](O)C(C)C 69941857 343457661 /nfs/dbraw/zinc/45/76/61/343457661.db2.gz XNTROSWZTGIKMB-SECBINFHSA-N 0 0 180.251 1.662 10 0 ADAERN Cc1ccnc(N)c1C(C)(C)O 69941717 343457676 /nfs/dbraw/zinc/45/76/76/343457676.db2.gz BJCPRUNOYHGAFM-UHFFFAOYSA-N 0 0 166.224 1.200 10 0 ADAERN Cc1cnc(N)c([C@H](O)C2CC2)c1 69942839 343457849 /nfs/dbraw/zinc/45/78/49/343457849.db2.gz WMBYNRCYMWBHAS-SECBINFHSA-N 0 0 178.235 1.416 10 0 ADAERN Nc1cc(Cc2cccnc2)ccn1 69942553 343457879 /nfs/dbraw/zinc/45/78/79/343457879.db2.gz MKATUANVHBCZLJ-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN CCC(=O)c1c(C)ccnc1N 69942029 343457897 /nfs/dbraw/zinc/45/78/97/343457897.db2.gz ZEXLTSWNZHJPFX-UHFFFAOYSA-N 0 0 164.208 1.565 10 0 ADAERN Cc1ccnc(N)c1C(=O)C(C)C 69942027 343457907 /nfs/dbraw/zinc/45/79/07/343457907.db2.gz ZRHQTOPGJRTUQR-UHFFFAOYSA-N 0 0 178.235 1.811 10 0 ADAERN CSCC(=O)c1c(C)ccnc1N 69942064 343457917 /nfs/dbraw/zinc/45/79/17/343457917.db2.gz QJUWCPLHMMQIBT-UHFFFAOYSA-N 0 0 196.275 1.518 10 0 ADAERN Cc1cnc(N)c([C@H](O)C(C)C)c1 69942815 343457925 /nfs/dbraw/zinc/45/79/25/343457925.db2.gz UQQNUNBHYUXOOI-SECBINFHSA-N 0 0 180.251 1.662 10 0 ADAERN CC(C)(C)[C@@H](O)Cc1ccnc(N)c1 69941982 343457929 /nfs/dbraw/zinc/45/79/29/343457929.db2.gz BBWHMYQRFDKQGB-VIFPVBQESA-N 0 0 194.278 1.613 10 0 ADAERN Cc1ccnc(N)c1-c1ccnn1C 69942734 343457943 /nfs/dbraw/zinc/45/79/43/343457943.db2.gz SKGJBUTUVVRMRI-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCCC(=O)c1c(C)ccnc1N 69942035 343457956 /nfs/dbraw/zinc/45/79/56/343457956.db2.gz JCFWFWNLBADXCQ-UHFFFAOYSA-N 0 0 178.235 1.955 10 0 ADAERN Cc1cnc(N)c(C2(O)CCCC2)c1 69942748 343458010 /nfs/dbraw/zinc/45/80/10/343458010.db2.gz UYVAHLZHPNPUNY-UHFFFAOYSA-N 0 0 192.262 1.734 10 0 ADAERN Cc1cnc(N)c([C@@H](C)O)c1 69942862 343458059 /nfs/dbraw/zinc/45/80/59/343458059.db2.gz MOMNSRGVKVNHNX-ZCFIWIBFSA-N 0 0 152.197 1.026 10 0 ADAERN CCC(=O)Cc1ccnc(N)c1 69942030 343458136 /nfs/dbraw/zinc/45/81/36/343458136.db2.gz CNGRXKPSUWZMSJ-UHFFFAOYSA-N 0 0 164.208 1.185 10 0 ADAERN Cc1ccnc(N)c1-c1cnccn1 69942668 343458164 /nfs/dbraw/zinc/45/81/64/343458164.db2.gz LWRNWDRAYJNTAZ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cnc(N)c([C@@H](O)C2CC2)c1 69942840 343458185 /nfs/dbraw/zinc/45/81/85/343458185.db2.gz WMBYNRCYMWBHAS-VIFPVBQESA-N 0 0 178.235 1.416 10 0 ADAERN Nc1cc(Cc2ccco2)ccn1 69942593 343458207 /nfs/dbraw/zinc/45/82/07/343458207.db2.gz UUNCVVJKSCGVDP-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Cc1cnc(N)c([C@@](C)(O)C(C)C)c1 69942757 343458232 /nfs/dbraw/zinc/45/82/32/343458232.db2.gz LCJYHXJLJZDKBF-NSHDSACASA-N 0 0 194.278 1.836 10 0 ADAERN Cc1ccnc(N)c1C(=O)C1CC1 69942037 343458249 /nfs/dbraw/zinc/45/82/49/343458249.db2.gz MVOCKLOKAMMHPO-UHFFFAOYSA-N 0 0 176.219 1.565 10 0 ADAERN CC[C@@](C)(O)c1cc(C)cnc1N 69942753 343458255 /nfs/dbraw/zinc/45/82/55/343458255.db2.gz NGMGYVDNDPSJSU-SNVBAGLBSA-N 0 0 180.251 1.590 10 0 ADAERN Cc1ccnc(N)c1-c1cncnc1 69942613 343458266 /nfs/dbraw/zinc/45/82/66/343458266.db2.gz NWHHHZDLDCNLBZ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC(=O)c1c(C)ccnc1N 69942031 343458271 /nfs/dbraw/zinc/45/82/71/343458271.db2.gz XUEVDKMMDKDUKD-UHFFFAOYSA-N 0 0 150.181 1.175 10 0 ADAERN CC[C@](C)(O)c1cc(C)cnc1N 69942751 343458283 /nfs/dbraw/zinc/45/82/83/343458283.db2.gz NGMGYVDNDPSJSU-JTQLQIEISA-N 0 0 180.251 1.590 10 0 ADAERN Cc1cnc(N)c([C@@H](O)C(C)C)c1 69942816 343458287 /nfs/dbraw/zinc/45/82/87/343458287.db2.gz UQQNUNBHYUXOOI-VIFPVBQESA-N 0 0 180.251 1.662 10 0 ADAERN Cc1cnc(N)c(-c2cncnc2)c1 69943139 343458522 /nfs/dbraw/zinc/45/85/22/343458522.db2.gz LYSGDADSJRVPRW-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CSC[C@H](O)c1cc(C)cnc1N 69942956 343458571 /nfs/dbraw/zinc/45/85/71/343458571.db2.gz JNMYNJDSTHZIRU-QMMMGPOBSA-N 0 0 198.291 1.369 10 0 ADAERN Cc1cnc(N)c(C(=O)C2CC2)c1 69942910 343458583 /nfs/dbraw/zinc/45/85/83/343458583.db2.gz QJWSQJYOYYJIPD-UHFFFAOYSA-N 0 0 176.219 1.565 10 0 ADAERN Cc1cnc(N)c(-c2ccnn2C)c1 69943260 343458593 /nfs/dbraw/zinc/45/85/93/343458593.db2.gz WIDSBJPNTRAYBG-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN COCCc1cc(Cl)cnc1N 69943745 343458615 /nfs/dbraw/zinc/45/86/15/343458615.db2.gz MKQNRYJIHJEYNY-UHFFFAOYSA-N 0 0 186.642 1.506 10 0 ADAERN CCC(=O)c1cc(Cl)cnc1N 69943430 343458618 /nfs/dbraw/zinc/45/86/18/343458618.db2.gz QUQTWVWTLXLIIU-UHFFFAOYSA-N 0 0 184.626 1.910 10 0 ADAERN Nc1ncc(Cl)cc1[C@H](O)C1CC1 69943364 343458627 /nfs/dbraw/zinc/45/86/27/343458627.db2.gz WTDQHOFUOJOADS-MRVPVSSYSA-N 0 0 198.653 1.761 10 0 ADAERN CC(C)[C@](C)(O)Cc1cccnc1N 69943811 343458636 /nfs/dbraw/zinc/45/86/36/343458636.db2.gz USVOITORQOUBNR-LLVKDONJSA-N 0 0 194.278 1.613 10 0 ADAERN CC[C@H](O)c1cc(C)cnc1N 69942864 343458639 /nfs/dbraw/zinc/45/86/39/343458639.db2.gz XIXLODQFXQNECT-QMMMGPOBSA-N 0 0 166.224 1.416 10 0 ADAERN C[C@@H](O)c1cc(Cl)cnc1N 69943388 343458672 /nfs/dbraw/zinc/45/86/72/343458672.db2.gz XBYMCDCCSHPJFG-SCSAIBSYSA-N 0 0 172.615 1.371 10 0 ADAERN CCC(=O)c1cc(C)cnc1N 69942906 343458682 /nfs/dbraw/zinc/45/86/82/343458682.db2.gz JLGKFPFTEUUYGM-UHFFFAOYSA-N 0 0 164.208 1.565 10 0 ADAERN Cc1cnc(N)c(-c2cnccn2)c1 69943194 343458686 /nfs/dbraw/zinc/45/86/86/343458686.db2.gz QQVRWGSHHIMMRP-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1ncc(Cl)cc1[C@@H]1CCOC1 69943717 343458700 /nfs/dbraw/zinc/45/87/00/343458700.db2.gz CDWWDFJIVPEHRR-ZCFIWIBFSA-N 0 0 198.653 1.821 10 0 ADAERN Cc1cnc(N)c(-c2cnn(C)c2)c1 69943168 343458712 /nfs/dbraw/zinc/45/87/12/343458712.db2.gz JTTQFDXVEDTQNB-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Nc1ncc(Cl)cc1C(=O)C1CC1 69943435 343458725 /nfs/dbraw/zinc/45/87/25/343458725.db2.gz IFTRUDZNLRTJMY-UHFFFAOYSA-N 0 0 196.637 1.910 10 0 ADAERN Cc1cnc(N)c([C@H](C)O)c1 69942863 343458742 /nfs/dbraw/zinc/45/87/42/343458742.db2.gz MOMNSRGVKVNHNX-LURJTMIESA-N 0 0 152.197 1.026 10 0 ADAERN CC(C)(O)c1cc(Cl)cnc1N 69943276 343458759 /nfs/dbraw/zinc/45/87/59/343458759.db2.gz AJNNZXOSKHZOTC-UHFFFAOYSA-N 0 0 186.642 1.545 10 0 ADAERN CC[C@@H](O)c1cc(C)cnc1N 69942865 343458763 /nfs/dbraw/zinc/45/87/63/343458763.db2.gz XIXLODQFXQNECT-MRVPVSSYSA-N 0 0 166.224 1.416 10 0 ADAERN Nc1ncc(Cl)cc1[C@@H](O)C1CC1 69943365 343458769 /nfs/dbraw/zinc/45/87/69/343458769.db2.gz WTDQHOFUOJOADS-QMMMGPOBSA-N 0 0 198.653 1.761 10 0 ADAERN CC[C@H](O)c1cc(Cl)cnc1N 69943389 343458776 /nfs/dbraw/zinc/45/87/76/343458776.db2.gz GCTFKQHNSMFEAN-ZETCQYMHSA-N 0 0 186.642 1.761 10 0 ADAERN Cc1cnc(N)c(C(=O)C(C)C)c1 69942905 343458782 /nfs/dbraw/zinc/45/87/82/343458782.db2.gz AQLCYZAPHPKACT-UHFFFAOYSA-N 0 0 178.235 1.811 10 0 ADAERN Nc1ncc(Cl)cc1[C@H]1CCOC1 69943718 343458817 /nfs/dbraw/zinc/45/88/17/343458817.db2.gz CDWWDFJIVPEHRR-LURJTMIESA-N 0 0 198.653 1.821 10 0 ADAERN C[C@H](O)c1cc(Cl)cnc1N 69943387 343458825 /nfs/dbraw/zinc/45/88/25/343458825.db2.gz XBYMCDCCSHPJFG-BYPYZUCNSA-N 0 0 172.615 1.371 10 0 ADAERN CSC[C@@H](O)c1cc(C)cnc1N 69942955 343458844 /nfs/dbraw/zinc/45/88/44/343458844.db2.gz JNMYNJDSTHZIRU-MRVPVSSYSA-N 0 0 198.291 1.369 10 0 ADAERN CSCC(=O)c1cc(C)cnc1N 69942923 343458856 /nfs/dbraw/zinc/45/88/56/343458856.db2.gz IHWFMIHVIMWKMM-UHFFFAOYSA-N 0 0 196.275 1.518 10 0 ADAERN Nc1ncccc1CC1(O)CCCC1 69943804 343458886 /nfs/dbraw/zinc/45/88/86/343458886.db2.gz IXLLUEXAMQWLIW-UHFFFAOYSA-N 0 0 192.262 1.511 10 0 ADAERN CC(=O)CC(=O)N1CCCCC[C@@H]1C 69945127 343459053 /nfs/dbraw/zinc/45/90/53/343459053.db2.gz GBPRIFROTBHCSM-VIFPVBQESA-N 0 0 197.278 1.757 10 0 ADAERN C[C@H]1CCCCCN1C(N)=S 69944681 343459069 /nfs/dbraw/zinc/45/90/69/343459069.db2.gz AWBLJBBTSUUCRC-ZETCQYMHSA-N 0 0 172.297 1.495 10 0 ADAERN Nc1ncccc1CC[C@H]1CCCO1 69944222 343459078 /nfs/dbraw/zinc/45/90/78/343459078.db2.gz PDDNIIZABYAVLJ-SNVBAGLBSA-N 0 0 192.262 1.775 10 0 ADAERN CC(C)(C)[C@@H](O)Cc1cccnc1N 69943945 343459084 /nfs/dbraw/zinc/45/90/84/343459084.db2.gz TXABNZFLXPPRPH-VIFPVBQESA-N 0 0 194.278 1.613 10 0 ADAERN C[C@@H]1CCCCCN1C(N)=S 69944680 343459179 /nfs/dbraw/zinc/45/91/79/343459179.db2.gz AWBLJBBTSUUCRC-SSDOTTSWSA-N 0 0 172.297 1.495 10 0 ADAERN C=CC(=O)N1CCCCC[C@@H]1C 69944607 343459205 /nfs/dbraw/zinc/45/92/05/343459205.db2.gz FWGONUOVXHYEFO-VIFPVBQESA-N 0 0 167.252 1.964 10 0 ADAERN CC(C)[C@H](O)Cc1cccnc1N 69943876 343459215 /nfs/dbraw/zinc/45/92/15/343459215.db2.gz NWUFHMNGZDHFIR-SECBINFHSA-N 0 0 180.251 1.223 10 0 ADAERN Nc1ncccc1C[C@@H]1CCOC1 69944245 343459295 /nfs/dbraw/zinc/45/92/95/343459295.db2.gz XFFPABUJJFTCRT-QMMMGPOBSA-N 0 0 178.235 1.243 10 0 ADAERN CC(C)(C)[C@H](O)Cc1cccnc1N 69943944 343459329 /nfs/dbraw/zinc/45/93/29/343459329.db2.gz TXABNZFLXPPRPH-SECBINFHSA-N 0 0 194.278 1.613 10 0 ADAERN CC(=O)CC(=O)N1CCCCC[C@H]1C 69945126 343459419 /nfs/dbraw/zinc/45/94/19/343459419.db2.gz GBPRIFROTBHCSM-SECBINFHSA-N 0 0 197.278 1.757 10 0 ADAERN Nc1ncccc1Cc1ccoc1 69944225 343459483 /nfs/dbraw/zinc/45/94/83/343459483.db2.gz QTOJOVNAGNNZSG-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN Nc1ncccc1CC[C@@H]1CCCO1 69944221 343459529 /nfs/dbraw/zinc/45/95/29/343459529.db2.gz PDDNIIZABYAVLJ-JTQLQIEISA-N 0 0 192.262 1.775 10 0 ADAERN CC(C)C(=O)Cc1cccnc1N 69943969 343459534 /nfs/dbraw/zinc/45/95/34/343459534.db2.gz VASBAFUMLOEHEC-UHFFFAOYSA-N 0 0 178.235 1.431 10 0 ADAERN Nc1ncccc1Cc1cnccn1 69944259 343459543 /nfs/dbraw/zinc/45/95/43/343459543.db2.gz BIMBMDCIUJMYKZ-UHFFFAOYSA-N 0 0 186.218 1.045 10 0 ADAERN CC(C)[C@@H](O)Cc1cccnc1N 69943877 343459623 /nfs/dbraw/zinc/45/96/23/343459623.db2.gz NWUFHMNGZDHFIR-VIFPVBQESA-N 0 0 180.251 1.223 10 0 ADAERN C=CC(=O)N1CCCCC[C@H]1C 69944605 343459629 /nfs/dbraw/zinc/45/96/29/343459629.db2.gz FWGONUOVXHYEFO-SECBINFHSA-N 0 0 167.252 1.964 10 0 ADAERN CC(C)[C@@](C)(O)Cc1cccnc1N 69943812 343459639 /nfs/dbraw/zinc/45/96/39/343459639.db2.gz USVOITORQOUBNR-NSHDSACASA-N 0 0 194.278 1.613 10 0 ADAERN Nc1ncccc1CC(=O)C1CC1 69943975 343459661 /nfs/dbraw/zinc/45/96/61/343459661.db2.gz PRCPDUNGWGVQJA-UHFFFAOYSA-N 0 0 176.219 1.185 10 0 ADAERN CC(C)(C)C(=O)Cc1cccnc1N 69943976 343459674 /nfs/dbraw/zinc/45/96/74/343459674.db2.gz NSBVIFIWNSJYLU-UHFFFAOYSA-N 0 0 192.262 1.822 10 0 ADAERN O=C(c1ccoc1)C1CCOCC1 69946115 343459824 /nfs/dbraw/zinc/45/98/24/343459824.db2.gz VCMOJEVDUUSLLM-UHFFFAOYSA-N 0 0 180.203 1.889 10 0 ADAERN O=C(c1ccoc1)[C@H]1CCOC1 69946109 343459903 /nfs/dbraw/zinc/45/99/03/343459903.db2.gz LGNLANXIZWSPTE-QMMMGPOBSA-N 0 0 166.176 1.499 10 0 ADAERN CCn1cc(C(=O)c2ccoc2)cn1 69946179 343459946 /nfs/dbraw/zinc/45/99/46/343459946.db2.gz XLNJDYOZFUTXFY-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN CCn1nccc1C(=O)c1ccoc1 69946176 343459981 /nfs/dbraw/zinc/45/99/81/343459981.db2.gz NELBBNFCZDTQMN-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN O=C(c1cncnc1)c1ccoc1 69946154 343460111 /nfs/dbraw/zinc/46/01/11/343460111.db2.gz JFPAMDMFYBZZSW-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN Cn1nccc1C(=O)c1ccoc1 69946160 343460148 /nfs/dbraw/zinc/46/01/48/343460148.db2.gz JASYMKSTDYRKNU-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN O=C(c1ccoc1)[C@@H]1CCOC1 69946108 343460197 /nfs/dbraw/zinc/46/01/97/343460197.db2.gz LGNLANXIZWSPTE-MRVPVSSYSA-N 0 0 166.176 1.499 10 0 ADAERN CC(=O)c1nc(-c2ccoc2)no1 69947313 343460420 /nfs/dbraw/zinc/46/04/20/343460420.db2.gz UDXZHMUUDYTCFB-UHFFFAOYSA-N 0 0 178.147 1.532 10 0 ADAERN c1c[nH]c(-c2ccoc2)n1 69947045 343460424 /nfs/dbraw/zinc/46/04/24/343460424.db2.gz PREPCGQKKOUGIA-UHFFFAOYSA-N 0 0 134.138 1.670 10 0 ADAERN Cc1cc(C=O)nc(-c2ccoc2)n1 69947126 343460455 /nfs/dbraw/zinc/46/04/55/343460455.db2.gz ZIVWEOAFOULOED-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN O=Cc1nc(-c2ccoc2)no1 69947308 343460492 /nfs/dbraw/zinc/46/04/92/343460492.db2.gz KCWANFMQPQIURE-UHFFFAOYSA-N 0 0 164.120 1.142 10 0 ADAERN C[C@@H](O)Cc1nc(-c2ccoc2)no1 69947326 343460536 /nfs/dbraw/zinc/46/05/36/343460536.db2.gz QPWQEIUJQBYFJJ-ZCFIWIBFSA-N 0 0 194.190 1.253 10 0 ADAERN OCc1cnc(-c2ccoc2)nc1 69947179 343460554 /nfs/dbraw/zinc/46/05/54/343460554.db2.gz CDVQIGRNXBSARH-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN C[C@H](O)Cc1nc(-c2ccoc2)no1 69947324 343460557 /nfs/dbraw/zinc/46/05/57/343460557.db2.gz QPWQEIUJQBYFJJ-LURJTMIESA-N 0 0 194.190 1.253 10 0 ADAERN c1cc(-c2noc(NC3CC3)n2)co1 69947114 343460559 /nfs/dbraw/zinc/46/05/59/343460559.db2.gz KHQGHBXCDVHJLN-UHFFFAOYSA-N 0 0 191.190 1.904 10 0 ADAERN CNc1nc(-c2ccoc2)no1 69947109 343460571 /nfs/dbraw/zinc/46/05/71/343460571.db2.gz BIIKACCWJZBWKQ-UHFFFAOYSA-N 0 0 165.152 1.371 10 0 ADAERN CC(=O)Cc1nc(-c2ccoc2)no1 69947299 343460591 /nfs/dbraw/zinc/46/05/91/343460591.db2.gz FIWUEOPYGDSWNO-UHFFFAOYSA-N 0 0 192.174 1.461 10 0 ADAERN OCc1ccnc(-c2ccoc2)n1 69947177 343460624 /nfs/dbraw/zinc/46/06/24/343460624.db2.gz BYZFJDJPFSWTQH-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN CCNc1nc(-c2ccoc2)no1 69947110 343460634 /nfs/dbraw/zinc/46/06/34/343460634.db2.gz QCMCTDODGJXTHU-UHFFFAOYSA-N 0 0 179.179 1.761 10 0 ADAERN C[C@@H](O)c1nc(-c2ccoc2)no1 69947322 343460647 /nfs/dbraw/zinc/46/06/47/343460647.db2.gz JAGDKWDTNRNMKS-RXMQYKEDSA-N 0 0 180.163 1.383 10 0 ADAERN Cc1nc(N)nc(-c2ccoc2)n1 69947461 343460677 /nfs/dbraw/zinc/46/06/77/343460677.db2.gz IYJWXWILUBFJKI-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=Cc1ccnc(-c2ccoc2)n1 69947124 343460732 /nfs/dbraw/zinc/46/07/32/343460732.db2.gz FFJYKPJVEIXWHC-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN C[C@H](O)c1nc(-c2ccoc2)no1 69947320 343460752 /nfs/dbraw/zinc/46/07/52/343460752.db2.gz JAGDKWDTNRNMKS-YFKPBYRVSA-N 0 0 180.163 1.383 10 0 ADAERN CCCc1nccn1-c1ccncn1 69964954 343460930 /nfs/dbraw/zinc/46/09/30/343460930.db2.gz XTTFYUGDRBATIU-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN C[C@H](Nc1nncs1)[C@H]1CCCO1 69965874 343460936 /nfs/dbraw/zinc/46/09/36/343460936.db2.gz DTUHKZUVNTUWRU-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN CCn1cc(Nc2nncs2)cn1 69965888 343460937 /nfs/dbraw/zinc/46/09/37/343460937.db2.gz PIZLAHDXRUVULL-UHFFFAOYSA-N 0 0 195.251 1.498 10 0 ADAERN CCCc1nccn1-c1cccnn1 69964959 343460941 /nfs/dbraw/zinc/46/09/41/343460941.db2.gz LRMJYPQYPINDJX-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN c1coc(CCNc2nncs2)c1 69966100 343460948 /nfs/dbraw/zinc/46/09/48/343460948.db2.gz RGLFEQCLVLEXMI-UHFFFAOYSA-N 0 0 195.247 1.786 10 0 ADAERN C[C@H](Nc1nncs1)[C@@H]1CCCO1 69965870 343460974 /nfs/dbraw/zinc/46/09/74/343460974.db2.gz DTUHKZUVNTUWRU-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN c1cc(CNc2nncs2)ccn1 69965779 343460990 /nfs/dbraw/zinc/46/09/90/343460990.db2.gz IEOUEEGCOVXDRE-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN c1nnc(NC2CC2)s1 69965637 343461010 /nfs/dbraw/zinc/46/10/10/343461010.db2.gz JPLCRGMGAHCLOB-UHFFFAOYSA-N 0 0 141.199 1.112 10 0 ADAERN CCCc1nccn1-c1ncccn1 69964946 343461055 /nfs/dbraw/zinc/46/10/55/343461055.db2.gz VNYXSNZLVUGMKL-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN C[C@@H](Nc1nncs1)[C@@H]1CCCO1 69965873 343461065 /nfs/dbraw/zinc/46/10/65/343461065.db2.gz DTUHKZUVNTUWRU-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN c1nnc(NC2CCOCC2)s1 69965917 343461078 /nfs/dbraw/zinc/46/10/78/343461078.db2.gz KJRIFSWJXFFYEK-UHFFFAOYSA-N 0 0 185.252 1.129 10 0 ADAERN c1ccc(CNc2nncs2)nc1 69965752 343461105 /nfs/dbraw/zinc/46/11/05/343461105.db2.gz YYMFZVYQWDBQON-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN Nc1cccc(Nc2nncs2)c1 69965561 343461112 /nfs/dbraw/zinc/46/11/12/343461112.db2.gz RTHLOTQLMYGGNL-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN FC(F)(F)CNc1nncs1 69965712 343461123 /nfs/dbraw/zinc/46/11/23/343461123.db2.gz HVIQJHGNFBJBIN-UHFFFAOYSA-N 0 0 183.158 1.512 10 0 ADAERN CCCc1nccn1-c1cnccn1 69964943 343461141 /nfs/dbraw/zinc/46/11/41/343461141.db2.gz DUEUZNUOZKSQNU-UHFFFAOYSA-N 0 0 188.234 1.615 10 0 ADAERN Cn1cc(Nc2nncs2)cn1 69965890 343461145 /nfs/dbraw/zinc/46/11/45/343461145.db2.gz BSICDLRFHQKTPI-UHFFFAOYSA-N 0 0 181.224 1.015 10 0 ADAERN 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343467240 /nfs/dbraw/zinc/46/72/40/343467240.db2.gz YDHKHPLVJFLCFP-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN O=Cc1nc(-c2cnccn2)cs1 70025244 343467292 /nfs/dbraw/zinc/46/72/92/343467292.db2.gz FIPCMZNKVCTYOB-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN CC(=O)Cn1cc(C(F)(F)F)cn1 70019123 343467314 /nfs/dbraw/zinc/46/73/14/343467314.db2.gz YMHAVMQIDUGADP-UHFFFAOYSA-N 0 0 192.140 1.491 10 0 ADAERN N[C@@]1(C(F)(F)F)CCCOC1 70018345 343467618 /nfs/dbraw/zinc/46/76/18/343467618.db2.gz VPSBKIHMGVWBLP-YFKPBYRVSA-N 0 0 169.146 1.057 10 0 ADAERN C[C@H](Nc1cn[nH]c1)c1cnccn1 70025025 343467389 /nfs/dbraw/zinc/46/73/89/343467389.db2.gz MZRXHTXNTUMYLH-ZETCQYMHSA-N 0 0 189.222 1.373 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)c1cnccn1 70025027 343467451 /nfs/dbraw/zinc/46/74/51/343467451.db2.gz MZRXHTXNTUMYLH-SSDOTTSWSA-N 0 0 189.222 1.373 10 0 ADAERN N[C@]1(C(F)(F)F)CCCOC1 70018341 343467632 /nfs/dbraw/zinc/46/76/32/343467632.db2.gz VPSBKIHMGVWBLP-RXMQYKEDSA-N 0 0 169.146 1.057 10 0 ADAERN CCC(C)(C)c1n[nH]c(=O)o1 70030634 343467726 /nfs/dbraw/zinc/46/77/26/343467726.db2.gz MAIDYPMUNMIKGX-UHFFFAOYSA-N 0 0 156.185 1.051 10 0 ADAERN Cc1ccc(F)c(C2N=NC(=O)O2)c1 70030588 343467729 /nfs/dbraw/zinc/46/77/29/343467729.db2.gz TWWVTEBPPDFWMQ-UHFFFAOYSA-N 0 0 194.165 1.890 10 0 ADAERN Cc1ncsc1C1N=NC(=O)O1 70030619 343467740 /nfs/dbraw/zinc/46/77/40/343467740.db2.gz XZKKTYWIOHKGFT-UHFFFAOYSA-N 0 0 183.192 1.207 10 0 ADAERN Cc1ccc(C2N=NC(=O)O2)s1 70030364 343467750 /nfs/dbraw/zinc/46/77/50/343467750.db2.gz SQLBYBUVOLQUGI-UHFFFAOYSA-N 0 0 182.204 1.812 10 0 ADAERN O=c1[nH]nc(Cc2cccc(O)c2)o1 70030495 343467756 /nfs/dbraw/zinc/46/77/56/343467756.db2.gz RHWZINSVTQEDRN-UHFFFAOYSA-N 0 0 192.174 1.072 10 0 ADAERN Cc1cc(C2N=NC(=O)O2)c(C)o1 70030502 343467764 /nfs/dbraw/zinc/46/77/64/343467764.db2.gz GBFSPQMXMATCPL-UHFFFAOYSA-N 0 0 180.163 1.652 10 0 ADAERN Cc1ccoc1C1N=NC(=O)O1 70030569 343467766 /nfs/dbraw/zinc/46/77/66/343467766.db2.gz UZGIEVMVQLJERF-UHFFFAOYSA-N 0 0 166.136 1.344 10 0 ADAERN C[C@@]1(c2cnccn2)CC(=O)CCO1 70026642 343467783 /nfs/dbraw/zinc/46/77/83/343467783.db2.gz IPABWVXORHAVGD-JTQLQIEISA-N 0 0 192.218 1.071 10 0 ADAERN Cc1ccc(C2N=NC(=O)O2)c(C)n1 70030563 343467795 /nfs/dbraw/zinc/46/77/95/343467795.db2.gz PZYWBWPINOTHHR-UHFFFAOYSA-N 0 0 191.190 1.454 10 0 ADAERN Cc1ccsc1C1N=NC(=O)O1 70030572 343467809 /nfs/dbraw/zinc/46/78/09/343467809.db2.gz JTNCAMJVWCCLLO-UHFFFAOYSA-N 0 0 182.204 1.812 10 0 ADAERN O=C1N=NC(CC[C@@H]2CCCCO2)O1 70030641 343467811 /nfs/dbraw/zinc/46/78/11/343467811.db2.gz HLEPVCGOKLPGKL-ZETCQYMHSA-N 0 0 198.222 1.277 10 0 ADAERN CCC(CC)c1n[nH]c(=O)o1 70030527 343467850 /nfs/dbraw/zinc/46/78/50/343467850.db2.gz YPGLQGAXVRQMGP-UHFFFAOYSA-N 0 0 156.185 1.267 10 0 ADAERN Cc1ccc(C2N=NC(=O)O2)cn1 70030437 343467863 /nfs/dbraw/zinc/46/78/63/343467863.db2.gz QDPPUJVGIVBMNZ-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN O=C1N=NC(c2cc(F)cc(F)c2)O1 70030616 343467878 /nfs/dbraw/zinc/46/78/78/343467878.db2.gz ABIIEZKCLULECZ-UHFFFAOYSA-N 0 0 198.128 1.720 10 0 ADAERN Cc1ccc(C2N=NC(=O)O2)o1 70030451 343467888 /nfs/dbraw/zinc/46/78/88/343467888.db2.gz HJODTCWUBFHFPG-UHFFFAOYSA-N 0 0 166.136 1.344 10 0 ADAERN C[C@]1(c2cnccn2)CC(=O)CCO1 70026640 343467909 /nfs/dbraw/zinc/46/79/09/343467909.db2.gz IPABWVXORHAVGD-SNVBAGLBSA-N 0 0 192.218 1.071 10 0 ADAERN Cc1ccc(CC2N=NC(=O)O2)cc1 70030584 343467968 /nfs/dbraw/zinc/46/79/68/343467968.db2.gz ZMHLUXOKSMWTBQ-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN C[C@](N)(c1cnccn1)C(F)(F)F 70026607 343467977 /nfs/dbraw/zinc/46/79/77/343467977.db2.gz PYWYOUXIAKTVMS-LURJTMIESA-N 0 0 191.156 1.213 10 0 ADAERN O=C1N=NC(CC[C@H]2CCCCO2)O1 70030642 343468032 /nfs/dbraw/zinc/46/80/32/343468032.db2.gz HLEPVCGOKLPGKL-SSDOTTSWSA-N 0 0 198.222 1.277 10 0 ADAERN Cc1cc(C2N=NC(=O)O2)ccc1F 70030593 343468087 /nfs/dbraw/zinc/46/80/87/343468087.db2.gz ZNJUEPOIWQDUPZ-UHFFFAOYSA-N 0 0 194.165 1.890 10 0 ADAERN Cc1ccccc1CC1N=NC(=O)O1 70030529 343468094 /nfs/dbraw/zinc/46/80/94/343468094.db2.gz CDFOAALTFJLYEY-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN C[C@@](N)(c1cnccn1)C(F)(F)F 70026604 343468107 /nfs/dbraw/zinc/46/81/07/343468107.db2.gz PYWYOUXIAKTVMS-ZCFIWIBFSA-N 0 0 191.156 1.213 10 0 ADAERN O=C1N=NC(c2cc(F)ccc2F)O1 70030447 343468112 /nfs/dbraw/zinc/46/81/12/343468112.db2.gz CKENUFSVUCKJNR-UHFFFAOYSA-N 0 0 198.128 1.720 10 0 ADAERN O=C1N=NC(c2ccc(F)c(F)c2)O1 70030661 343468128 /nfs/dbraw/zinc/46/81/28/343468128.db2.gz JQQABUSYZWRMJR-UHFFFAOYSA-N 0 0 198.128 1.720 10 0 ADAERN O=C1N=NC(CC2CCCCC2)O1 70030798 343468326 /nfs/dbraw/zinc/46/83/26/343468326.db2.gz VVHFYMLMFVJGSS-UHFFFAOYSA-N 0 0 182.223 1.898 10 0 ADAERN O=C1N=NC(c2c(F)cccc2F)O1 70030716 343468353 /nfs/dbraw/zinc/46/83/53/343468353.db2.gz ZKUABUYKYYXYKT-UHFFFAOYSA-N 0 0 198.128 1.720 10 0 ADAERN CCC[C@@H](C)c1n[nH]c(=O)o1 70030736 343468375 /nfs/dbraw/zinc/46/83/75/343468375.db2.gz AZNUEVFUQOVVEB-RXMQYKEDSA-N 0 0 156.185 1.267 10 0 ADAERN O=C1N=NC(Cc2cccc(F)c2)O1 70030679 343468380 /nfs/dbraw/zinc/46/83/80/343468380.db2.gz DCYBNKLEEAFSGY-UHFFFAOYSA-N 0 0 194.165 1.505 10 0 ADAERN Cc1ccc(C(=O)NC(N)=O)c(C)c1 70044706 343468388 /nfs/dbraw/zinc/46/83/88/343468388.db2.gz KZAGRGCVCYPCBQ-UHFFFAOYSA-N 0 0 192.218 1.112 10 0 ADAERN CCCCC1N=NC(=O)O1 70030789 343468391 /nfs/dbraw/zinc/46/83/91/343468391.db2.gz IQVHWMIPAZFLMX-UHFFFAOYSA-N 0 0 142.158 1.118 10 0 ADAERN Cc1cccc(CC2N=NC(=O)O2)c1 70041720 343468399 /nfs/dbraw/zinc/46/83/99/343468399.db2.gz UTELQONHYQXEED-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN Nc1ccc(C(=O)[C@@H]2CCCO2)cc1 70041835 343468426 /nfs/dbraw/zinc/46/84/26/343468426.db2.gz LRCVVMIOPRWWRQ-JTQLQIEISA-N 0 0 191.230 1.631 10 0 ADAERN CCC[C@H](C)c1n[nH]c(=O)o1 70030739 343468570 /nfs/dbraw/zinc/46/85/70/343468570.db2.gz AZNUEVFUQOVVEB-YFKPBYRVSA-N 0 0 156.185 1.267 10 0 ADAERN CC(C)[C@H](C)c1n[nH]c(=O)o1 70030696 343468590 /nfs/dbraw/zinc/46/85/90/343468590.db2.gz APBBMFXPUXVKFO-YFKPBYRVSA-N 0 0 156.185 1.122 10 0 ADAERN Cc1ccc(C2N=NC(=O)O2)cc1O 70030764 343468619 /nfs/dbraw/zinc/46/86/19/343468619.db2.gz YGMMKDJMKHGOTL-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN Cc1ccc(F)cc1C1N=NC(=O)O1 70030756 343468632 /nfs/dbraw/zinc/46/86/32/343468632.db2.gz OTZKPBHFTQUOPI-UHFFFAOYSA-N 0 0 194.165 1.890 10 0 ADAERN Nc1ccc(C(=O)[C@H]2CCOC2)cc1 70041834 343468636 /nfs/dbraw/zinc/46/86/36/343468636.db2.gz UAFJYOFDDYFKKY-VIFPVBQESA-N 0 0 191.230 1.488 10 0 ADAERN Nc1ccc(C(=O)[C@@H]2CCOC2)cc1 70041831 343468640 /nfs/dbraw/zinc/46/86/40/343468640.db2.gz UAFJYOFDDYFKKY-SECBINFHSA-N 0 0 191.230 1.488 10 0 ADAERN Nc1ccc(C=O)cc1F 70041996 343468648 /nfs/dbraw/zinc/46/86/48/343468648.db2.gz FHQLDUVZIQIJHK-UHFFFAOYSA-N 0 0 139.129 1.220 10 0 ADAERN Cc1cccc(C2N=NC(=O)O2)n1 70030714 343468663 /nfs/dbraw/zinc/46/86/63/343468663.db2.gz ORSIYDHGTAHOIO-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN CC(C)[C@@H](C)c1n[nH]c(=O)o1 70030694 343468684 /nfs/dbraw/zinc/46/86/84/343468684.db2.gz APBBMFXPUXVKFO-RXMQYKEDSA-N 0 0 156.185 1.122 10 0 ADAERN Nc1ccc(C(=O)[C@H]2CCCO2)cc1 70041837 343468690 /nfs/dbraw/zinc/46/86/90/343468690.db2.gz LRCVVMIOPRWWRQ-SNVBAGLBSA-N 0 0 191.230 1.631 10 0 ADAERN Cc1c[nH+]ccc1N[C@H](C)C(=O)[O-] 70045284 343468974 /nfs/dbraw/zinc/46/89/74/343468974.db2.gz PHIDDKQQGJVPNK-SSDOTTSWSA-N 0 0 180.207 1.275 10 0 ADAERN NC(=O)NC(=O)C1CCCCCC1 70045092 343469002 /nfs/dbraw/zinc/46/90/02/343469002.db2.gz QACRBTSNPSBTMB-UHFFFAOYSA-N 0 0 184.239 1.152 10 0 ADAERN NC(=O)NC(=O)CCC1CCCCC1 70045113 343469036 /nfs/dbraw/zinc/46/90/36/343469036.db2.gz HDXQNJSTHVPBJN-UHFFFAOYSA-N 0 0 198.266 1.542 10 0 ADAERN CCc1ccc(C(=O)NC(N)=O)cc1 70045127 343469040 /nfs/dbraw/zinc/46/90/40/343469040.db2.gz BTIGCGLYUAJMHB-UHFFFAOYSA-N 0 0 192.218 1.058 10 0 ADAERN Cc1c[nH+]ccc1NC(C)(C)C(=O)[O-] 70045329 343469140 /nfs/dbraw/zinc/46/91/40/343469140.db2.gz DGEMSSGJYRNYIK-UHFFFAOYSA-N 0 0 194.234 1.665 10 0 ADAERN Cc1cc(C)cc(C(=O)NC(N)=O)c1 70045036 343469159 /nfs/dbraw/zinc/46/91/59/343469159.db2.gz NWIFRFSTZRWNJL-UHFFFAOYSA-N 0 0 192.218 1.112 10 0 ADAERN Cc1c[nH+]ccc1N[C@@H](C)C(=O)[O-] 70045281 343469312 /nfs/dbraw/zinc/46/93/12/343469312.db2.gz PHIDDKQQGJVPNK-ZETCQYMHSA-N 0 0 180.207 1.275 10 0 ADAERN CCc1ccc(C(=O)NC(N)=O)s1 70045016 343469323 /nfs/dbraw/zinc/46/93/23/343469323.db2.gz ILSCVBMRJFHACE-UHFFFAOYSA-N 0 0 198.247 1.119 10 0 ADAERN O=c1ccc2cc(F)c(F)c(F)c2[nH]1 70054920 343470575 /nfs/dbraw/zinc/47/05/75/343470575.db2.gz VZNNMTNTTIQWLL-UHFFFAOYSA-N 0 0 199.131 1.945 10 0 ADAERN O=c1ccc2c(F)ccc(F)c2[nH]1 70054926 343470596 /nfs/dbraw/zinc/47/05/96/343470596.db2.gz STJOVFZCTNSGHO-UHFFFAOYSA-N 0 0 181.141 1.806 10 0 in-vitro ADAERN Cc1ccc(F)c2ccc(=O)[nH]c12 70054938 343470598 /nfs/dbraw/zinc/47/05/98/343470598.db2.gz OHXVAACMUMIFMI-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN COc1cc(F)cc2ccc(N)nc12 70055335 343471081 /nfs/dbraw/zinc/47/10/81/343471081.db2.gz CCDNRXXIAHVIJF-UHFFFAOYSA-N 0 0 192.193 1.965 10 0 ADAERN O=c1ccc2ccc(F)c(F)c2[nH]1 70054969 343471116 /nfs/dbraw/zinc/47/11/16/343471116.db2.gz NBQYPKURKQJHNF-UHFFFAOYSA-N 0 0 181.141 1.806 10 0 ADAERN O=c1ccc2c(F)cc(F)c(F)c2[nH]1 70054959 343471205 /nfs/dbraw/zinc/47/12/05/343471205.db2.gz NKQUAYGJILMIHJ-UHFFFAOYSA-N 0 0 199.131 1.945 10 0 ADAERN Cc1ccnc(OC(C)C)c1N 70063144 343472000 /nfs/dbraw/zinc/47/20/00/343472000.db2.gz BQKWRZWXFBFRCB-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN Cc1ccnc(-n2cccn2)c1N 70063052 343472239 /nfs/dbraw/zinc/47/22/39/343472239.db2.gz VVEHZOBXCNPFTG-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1ccnc(O[C@@H]2CCOC2)c1N 70063238 343472246 /nfs/dbraw/zinc/47/22/46/343472246.db2.gz FALMUQWXRRKOLM-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN Cc1ccnc(OC2CCC2)c1N 70063235 343472274 /nfs/dbraw/zinc/47/22/74/343472274.db2.gz AYTYLCHNNCVDFK-UHFFFAOYSA-N 0 0 178.235 1.904 10 0 ADAERN Cc1ccn(-c2nccc(C)c2N)n1 70063066 343472294 /nfs/dbraw/zinc/47/22/94/343472294.db2.gz MWYIVOOFOBCQTK-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ccnc(SCCO)c1N 70063273 343472662 /nfs/dbraw/zinc/47/26/62/343472662.db2.gz UBPLORXGTLFFOE-UHFFFAOYSA-N 0 0 184.264 1.057 10 0 ADAERN Cc1cc[nH]c(=S)c1N 70063270 343472683 /nfs/dbraw/zinc/47/26/83/343472683.db2.gz KJGVRIRFPGTPAC-UHFFFAOYSA-N 0 0 140.211 1.635 10 0 ADAERN Cc1ccnc(O[C@H]2CCOC2)c1N 70063239 343472863 /nfs/dbraw/zinc/47/28/63/343472863.db2.gz FALMUQWXRRKOLM-QMMMGPOBSA-N 0 0 194.234 1.140 10 0 ADAERN Cc1ccc(F)c2ccc(=NN)[nH]c12 70063950 343473043 /nfs/dbraw/zinc/47/30/43/343473043.db2.gz CBZYDSKELIZZDO-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN C[C@@H]1COc2ccc(N)cc2OC1 70064909 343473052 /nfs/dbraw/zinc/47/30/52/343473052.db2.gz WKUHUIOAPFRPPJ-SSDOTTSWSA-N 0 0 179.219 1.676 10 0 ADAERN C[C@H]1CCC[C@@]2(C1)C(=O)NC(=O)N2C 70064876 343473062 /nfs/dbraw/zinc/47/30/62/343473062.db2.gz QACDYWSMQBYQNZ-OIBJUYFYSA-N 0 0 196.250 1.117 10 0 ADAERN Cc1cc(F)cc2ccc(=NN)[nH]c12 70064005 343473075 /nfs/dbraw/zinc/47/30/75/343473075.db2.gz CCMXNJGZXRECHU-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN NN=c1ccc2ccc(F)c(F)c2[nH]1 70063968 343473092 /nfs/dbraw/zinc/47/30/92/343473092.db2.gz ANKJUZHYCUKZBN-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN Cc1cc(F)c2[nH]c(=NN)ccc2c1 70063952 343473101 /nfs/dbraw/zinc/47/31/01/343473101.db2.gz PESUFKKSWLLCDN-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN C[C@H]1COc2ccc(N)cc2OC1 70064910 343473121 /nfs/dbraw/zinc/47/31/21/343473121.db2.gz WKUHUIOAPFRPPJ-ZETCQYMHSA-N 0 0 179.219 1.676 10 0 ADAERN NN=c1ccc2cc(F)c(F)cc2[nH]1 70063946 343473124 /nfs/dbraw/zinc/47/31/24/343473124.db2.gz PTWHXPCSLGMTNY-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN CC(C)CCN1C(=O)NC(=O)C1(C)C 70064741 343473127 /nfs/dbraw/zinc/47/31/27/343473127.db2.gz IATNALQZMPIFTM-UHFFFAOYSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)C(=O)NC(=O)N2C 70064877 343473136 /nfs/dbraw/zinc/47/31/36/343473136.db2.gz QACDYWSMQBYQNZ-XCBNKYQSSA-N 0 0 196.250 1.117 10 0 ADAERN NN=c1ccc2cc(F)ccc2[nH]1 70064016 343473149 /nfs/dbraw/zinc/47/31/49/343473149.db2.gz YZNJJJVSDSXYHI-UHFFFAOYSA-N 0 0 177.182 1.660 10 0 ADAERN NN=c1ccc2cc(F)cc(F)c2[nH]1 70064023 343473153 /nfs/dbraw/zinc/47/31/53/343473153.db2.gz OMMJJBMOBUBQHE-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN NN=c1ccc2c(F)ccc(F)c2[nH]1 70064025 343473169 /nfs/dbraw/zinc/47/31/69/343473169.db2.gz NZNSGILKEGEZMZ-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)C(=O)NC(=O)N2C 70064875 343473205 /nfs/dbraw/zinc/47/32/05/343473205.db2.gz QACDYWSMQBYQNZ-GMSGAONNSA-N 0 0 196.250 1.117 10 0 ADAERN NN=c1ccc2cccc(F)c2[nH]1 70064012 343473221 /nfs/dbraw/zinc/47/32/21/343473221.db2.gz AXHVTMXQVBVEFM-UHFFFAOYSA-N 0 0 177.182 1.660 10 0 ADAERN C[C@@H]1COc2ccc(CO)cc2OC1 70064953 343473256 /nfs/dbraw/zinc/47/32/56/343473256.db2.gz KDTJXSZPGWOINC-MRVPVSSYSA-N 0 0 194.230 1.586 10 0 ADAERN C[C@H]1COc2ccc(CO)cc2OC1 70064954 343473259 /nfs/dbraw/zinc/47/32/59/343473259.db2.gz KDTJXSZPGWOINC-QMMMGPOBSA-N 0 0 194.230 1.586 10 0 ADAERN CCN1C(=O)NC(=O)C1(CC)CC 70064829 343473278 /nfs/dbraw/zinc/47/32/78/343473278.db2.gz FZECOCTYSNKDMQ-UHFFFAOYSA-N 0 0 184.239 1.117 10 0 ADAERN CCCN1C(=O)NC(=O)C12CCCC2 70064842 343473300 /nfs/dbraw/zinc/47/33/00/343473300.db2.gz IQDNOPGWUBSLJP-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN C[C@@H]1COc2ccc(C=O)cc2OC1 70064919 343473323 /nfs/dbraw/zinc/47/33/23/343473323.db2.gz QSKAASUQYPCSJL-MRVPVSSYSA-N 0 0 192.214 1.906 10 0 ADAERN C[C@H]1COc2ccc(C=O)cc2OC1 70064920 343473327 /nfs/dbraw/zinc/47/33/27/343473327.db2.gz QSKAASUQYPCSJL-QMMMGPOBSA-N 0 0 192.214 1.906 10 0 ADAERN C[C@H]1CCC[C@]2(C1)C(=O)NC(=O)N2C 70064878 343473330 /nfs/dbraw/zinc/47/33/30/343473330.db2.gz QACDYWSMQBYQNZ-XVKPBYJWSA-N 0 0 196.250 1.117 10 0 ADAERN Cn1cc(C[C@@H](O)c2ccoc2)cn1 70079067 343473721 /nfs/dbraw/zinc/47/37/21/343473721.db2.gz WMNABCDOIDDPBK-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN FC(F)CN[C@@H]1COc2ccccc21 70068989 343473743 /nfs/dbraw/zinc/47/37/43/343473743.db2.gz IDNVQPAROCZULK-MRVPVSSYSA-N 0 0 199.200 1.975 10 0 ADAERN CCn1cc([C@@H](O)c2ccoc2)cn1 70079045 343473756 /nfs/dbraw/zinc/47/37/56/343473756.db2.gz VSCDDNCSMCXIAN-JTQLQIEISA-N 0 0 192.218 1.578 10 0 ADAERN O[C@H](c1cncnc1)c1ccoc1 70079042 343473765 /nfs/dbraw/zinc/47/37/65/343473765.db2.gz NNSJNBNOWGEZTB-VIFPVBQESA-N 0 0 176.175 1.151 10 0 ADAERN FC(F)CN[C@H]1COc2ccccc21 70068990 343473767 /nfs/dbraw/zinc/47/37/67/343473767.db2.gz IDNVQPAROCZULK-QMMMGPOBSA-N 0 0 199.200 1.975 10 0 ADAERN Nc1ccc(S[C@@H]2CCOC2)cn1 70072234 343473796 /nfs/dbraw/zinc/47/37/96/343473796.db2.gz NKEQJFMZMZWLMY-MRVPVSSYSA-N 0 0 196.275 1.545 10 0 ADAERN O[C@@H](c1cncnc1)c1ccoc1 70079043 343473837 /nfs/dbraw/zinc/47/38/37/343473837.db2.gz NNSJNBNOWGEZTB-SECBINFHSA-N 0 0 176.175 1.151 10 0 ADAERN c1ccc2c(c1)OC[C@@H]2NC1COC1 70068976 343473884 /nfs/dbraw/zinc/47/38/84/343473884.db2.gz KBGOIYVCSWWNTH-JTQLQIEISA-N 0 0 191.230 1.109 10 0 ADAERN C=CC(=O)N[C@H]1COc2ccccc21 70069024 343473906 /nfs/dbraw/zinc/47/39/06/343473906.db2.gz PJADZJGRWRMRBU-VIFPVBQESA-N 0 0 189.214 1.422 10 0 ADAERN N#CN[C@H]1COc2ccccc21 70068996 343473917 /nfs/dbraw/zinc/47/39/17/343473917.db2.gz WYLFGPIWGYGGGS-QMMMGPOBSA-N 0 0 160.176 1.191 10 0 ADAERN Cn1cc(C[C@H](O)c2ccoc2)cn1 70079066 343473931 /nfs/dbraw/zinc/47/39/31/343473931.db2.gz WMNABCDOIDDPBK-JTQLQIEISA-N 0 0 192.218 1.289 10 0 ADAERN O[C@@H](c1ccoc1)c1cncc(F)c1 70079074 343473985 /nfs/dbraw/zinc/47/39/85/343473985.db2.gz KWTGFOBUZMOEAT-JTQLQIEISA-N 0 0 193.177 1.895 10 0 ADAERN c1ccc2c(c1)OC[C@H]2NC1COC1 70068975 343474002 /nfs/dbraw/zinc/47/40/02/343474002.db2.gz KBGOIYVCSWWNTH-SNVBAGLBSA-N 0 0 191.230 1.109 10 0 ADAERN Nc1ccc(S[C@H]2CCOC2)cn1 70072235 343474033 /nfs/dbraw/zinc/47/40/33/343474033.db2.gz NKEQJFMZMZWLMY-QMMMGPOBSA-N 0 0 196.275 1.545 10 0 ADAERN CC(=O)[C@H](C)Sc1nnc(C)n1C 70130609 343474408 /nfs/dbraw/zinc/47/44/08/343474408.db2.gz JBFZLXVCKOWVNX-LURJTMIESA-N 0 0 199.279 1.193 10 0 ADAERN CCC[C@H](O)c1ccncn1 70096938 343474449 /nfs/dbraw/zinc/47/44/49/343474449.db2.gz WZEGFDUXGMXWOP-QMMMGPOBSA-N 0 0 152.197 1.310 10 0 ADAERN Cc1noc(C)c1-c1nccc(N)n1 70125787 343474470 /nfs/dbraw/zinc/47/44/70/343474470.db2.gz QUVZXFYRIWCLNK-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CN(C)C(=S)Nc1cccnc1 70124838 343474516 /nfs/dbraw/zinc/47/45/16/343474516.db2.gz PIBKWKYNYAFBSM-UHFFFAOYSA-N 0 0 181.264 1.340 10 0 ADAERN Cn1nccc1CNc1nccs1 70125039 343474522 /nfs/dbraw/zinc/47/45/22/343474522.db2.gz HCHJOMXSNRFZPZ-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN O=C(C[C@H]1C=CCC1)Nc1ncc[nH]1 70152772 343475140 /nfs/dbraw/zinc/47/51/40/343475140.db2.gz HSTJPTULFFQTSM-QMMMGPOBSA-N 0 0 191.234 1.126 10 0 ADAERN O=C(Nc1ncc[nH]1)C1CCCCC1 70152639 343474932 /nfs/dbraw/zinc/47/49/32/343474932.db2.gz XLAWJEVFVYQMKA-UHFFFAOYSA-N 0 0 193.250 1.350 10 0 ADAERN O=C(Nc1ncc[nH]1)c1cccs1 70152687 343474994 /nfs/dbraw/zinc/47/49/94/343474994.db2.gz VSLGNJUHCNNPET-UHFFFAOYSA-N 0 0 193.231 1.145 10 0 ADAERN CC(C)(C)CC(=O)Nc1ncc[nH]1 70152694 343475038 /nfs/dbraw/zinc/47/50/38/343475038.db2.gz JWAHIDHEFAZOOX-UHFFFAOYSA-N 0 0 181.239 1.206 10 0 ADAERN O=C(C[C@@H]1C=CCC1)Nc1ncc[nH]1 70152774 343475060 /nfs/dbraw/zinc/47/50/60/343475060.db2.gz HSTJPTULFFQTSM-MRVPVSSYSA-N 0 0 191.234 1.126 10 0 ADAERN CON(C)C(=O)c1ccc(C)nc1C 70155183 343475113 /nfs/dbraw/zinc/47/51/13/343475113.db2.gz PPHQLFVUEHSUEO-UHFFFAOYSA-N 0 0 194.234 1.332 10 0 ADAERN CC(C)CCC(=O)Nc1ncc[nH]1 70152870 343475163 /nfs/dbraw/zinc/47/51/63/343475163.db2.gz CEUXRSYZDOGOOO-UHFFFAOYSA-N 0 0 181.239 1.206 10 0 ADAERN O=C(Nc1ncc[nH]1)c1ccsc1 70152766 343475165 /nfs/dbraw/zinc/47/51/65/343475165.db2.gz PAGMRDGYRNPNMV-UHFFFAOYSA-N 0 0 193.231 1.145 10 0 ADAERN Cc1nc(N)c2cc(C)sc2n1 70159699 343475503 /nfs/dbraw/zinc/47/55/03/343475503.db2.gz GQYIXMIBWBMDGH-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN c1csc(CNCc2cn[nH]c2)n1 70159681 343475606 /nfs/dbraw/zinc/47/56/06/343475606.db2.gz DWWIHCNHLWWPFU-UHFFFAOYSA-N 0 0 194.263 1.156 10 0 ADAERN CC(=O)CCN1CCCCCC1=O 70162263 343476354 /nfs/dbraw/zinc/47/63/54/343476354.db2.gz HFMWJDLQJACOOE-UHFFFAOYSA-N 0 0 183.251 1.368 10 0 ADAERN CC(=O)CCn1c(C)csc1=O 70162278 343476360 /nfs/dbraw/zinc/47/63/60/343476360.db2.gz PKGGTMLMOIBYAT-UHFFFAOYSA-N 0 0 185.248 1.197 10 0 ADAERN CC(=O)CCN1CCCCCCC1=O 70162260 343476389 /nfs/dbraw/zinc/47/63/89/343476389.db2.gz IYGXPEDNSREKAT-UHFFFAOYSA-N 0 0 197.278 1.758 10 0 ADAERN CC(C)=CCn1ccnc1 70162524 343476415 /nfs/dbraw/zinc/47/64/15/343476415.db2.gz UYIIMFAYIHCQGY-UHFFFAOYSA-N 0 0 136.198 1.849 10 0 ADAERN CC(=O)CCn1c(C)cccc1=O 70162286 343476461 /nfs/dbraw/zinc/47/64/61/343476461.db2.gz CLGJOLZOJYXNII-UHFFFAOYSA-N 0 0 179.219 1.136 10 0 ADAERN CC(=O)CCN1CCSC1=O 70162284 343476470 /nfs/dbraw/zinc/47/64/70/343476470.db2.gz MOMXDJKTXGNFJA-UHFFFAOYSA-N 0 0 173.237 1.134 10 0 ADAERN COCCCS[C@H](C)C(=O)OC 70166855 343476571 /nfs/dbraw/zinc/47/65/71/343476571.db2.gz GDKASHYBHUXYPC-SSDOTTSWSA-N 0 0 192.280 1.318 10 0 ADAERN CSCCC(=O)Nc1cc(C)[nH]n1 70164696 343476579 /nfs/dbraw/zinc/47/65/79/343476579.db2.gz GVDNJIQZBLJSPD-UHFFFAOYSA-N 0 0 199.279 1.410 10 0 ADAERN c1cnc(NCc2cscn2)nc1 70167421 343476612 /nfs/dbraw/zinc/47/66/12/343476612.db2.gz RMPFCJFXOOMAPS-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN Cn1cc([C@@H](O)CC(C)(C)C)cn1 70168957 343476658 /nfs/dbraw/zinc/47/66/58/343476658.db2.gz CHARBWURADJUJB-VIFPVBQESA-N 0 0 182.267 1.890 10 0 ADAERN Cc1ccc([C@H](O)c2cnn(C)c2)o1 70169001 343476674 /nfs/dbraw/zinc/47/66/74/343476674.db2.gz OWDFFSDDPGCBBL-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN c1cnc(NCc2cscn2)cn1 70167422 343476736 /nfs/dbraw/zinc/47/67/36/343476736.db2.gz GYVNJQIBQNDZQO-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CSCC(=O)Nc1cc(C)[nH]n1 70164685 343476751 /nfs/dbraw/zinc/47/67/51/343476751.db2.gz CRUFYWRHBGCFEH-UHFFFAOYSA-N 0 0 185.252 1.020 10 0 ADAERN Cc1ccc([C@@H](O)c2cnn(C)c2)o1 70169002 343476770 /nfs/dbraw/zinc/47/67/70/343476770.db2.gz OWDFFSDDPGCBBL-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN COCCCS[C@@H](C)C(=O)OC 70166854 343476774 /nfs/dbraw/zinc/47/67/74/343476774.db2.gz GDKASHYBHUXYPC-ZETCQYMHSA-N 0 0 192.280 1.318 10 0 ADAERN Cn1cc([C@H](O)CC(C)(C)C)cn1 70168958 343476854 /nfs/dbraw/zinc/47/68/54/343476854.db2.gz CHARBWURADJUJB-SECBINFHSA-N 0 0 182.267 1.890 10 0 ADAERN Cc1cc(C)n(-c2nccs2)n1 70162767 343476898 /nfs/dbraw/zinc/47/68/98/343476898.db2.gz BNPSIRGWLXIVFL-UHFFFAOYSA-N 0 0 179.248 1.946 10 0 ADAERN CNC(=O)/C=C/c1sccc1C 70186700 343477091 /nfs/dbraw/zinc/47/70/91/343477091.db2.gz GINQKJWKXDRFBR-ONEGZZNKSA-N 0 0 181.260 1.816 10 0 ADAERN CSCCN1CCC(=O)CC1 70184474 343477171 /nfs/dbraw/zinc/47/71/71/343477171.db2.gz HQVUOLTYTVQSSK-UHFFFAOYSA-N 0 0 173.281 1.014 10 0 ADAERN Cn1cc([C@@H](O)c2ccoc2)cn1 70184932 343477276 /nfs/dbraw/zinc/47/72/76/343477276.db2.gz HWTLWKNGABZKEN-VIFPVBQESA-N 0 0 178.191 1.095 10 0 ADAERN Cn1cc([C@H](O)c2ccoc2)cn1 70184931 343477361 /nfs/dbraw/zinc/47/73/61/343477361.db2.gz HWTLWKNGABZKEN-SECBINFHSA-N 0 0 178.191 1.095 10 0 ADAERN CNC(=O)/C=C/c1ccccc1C 70186696 343477377 /nfs/dbraw/zinc/47/73/77/343477377.db2.gz ILRBGBBXHCZXMO-BQYQJAHWSA-N 0 0 175.231 1.754 10 0 ADAERN CNC(=O)c1cc(C)ccc1OC 70186928 343477641 /nfs/dbraw/zinc/47/76/41/343477641.db2.gz ZACJKYRLWMNMIC-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN CNC(=O)/C=C/c1ccc(C)s1 70186854 343477672 /nfs/dbraw/zinc/47/76/72/343477672.db2.gz LCWDKOMFXMQNFX-AATRIKPKSA-N 0 0 181.260 1.816 10 0 ADAERN CCNC(=O)c1ccc(COC)cc1 70186833 343477679 /nfs/dbraw/zinc/47/76/79/343477679.db2.gz DUZMXSHLGRTHPO-UHFFFAOYSA-N 0 0 193.246 1.583 10 0 ADAERN CNC(=O)/C=C/c1ccc(C)o1 70186734 343477713 /nfs/dbraw/zinc/47/77/13/343477713.db2.gz DUHQJQCTTXMDBL-AATRIKPKSA-N 0 0 165.192 1.347 10 0 ADAERN CCCNC(=O)CCSC 70186774 343477715 /nfs/dbraw/zinc/47/77/15/343477715.db2.gz ZGBLMOVXRIDIMH-UHFFFAOYSA-N 0 0 161.270 1.266 10 0 ADAERN CCNC(=O)CCc1c(C)noc1C 70186834 343477726 /nfs/dbraw/zinc/47/77/26/343477726.db2.gz GJANFDYOPDFIQC-UHFFFAOYSA-N 0 0 196.250 1.360 10 0 ADAERN CCNC(=O)c1cc(C)ccc1OC 70186920 343477768 /nfs/dbraw/zinc/47/77/68/343477768.db2.gz XUTDWXJVZWTDSK-UHFFFAOYSA-N 0 0 193.246 1.753 10 0 ADAERN CCc1ccc(C(=O)NC)o1 70187304 343478107 /nfs/dbraw/zinc/47/81/07/343478107.db2.gz UAMCHHLABUVPHB-UHFFFAOYSA-N 0 0 153.181 1.202 10 0 ADAERN O=C1CCCc2cc(CO)ccc2N1 70187384 343478238 /nfs/dbraw/zinc/47/82/38/343478238.db2.gz BKNURIQXPQPCIR-UHFFFAOYSA-N 0 0 191.230 1.454 10 0 ADAERN CNC(=O)CCc1ccc(F)c(F)c1 70187286 343478355 /nfs/dbraw/zinc/47/83/55/343478355.db2.gz GMHWLVOHMWYPAC-UHFFFAOYSA-N 0 0 199.200 1.643 10 0 ADAERN CCNC(=O)c1ccc(CC)o1 70187306 343478385 /nfs/dbraw/zinc/47/83/85/343478385.db2.gz OPQSSHVOJFAHGV-UHFFFAOYSA-N 0 0 167.208 1.592 10 0 ADAERN CCC[C@H]1CCCN(C(N)=O)CC1 70203991 343478693 /nfs/dbraw/zinc/47/86/93/343478693.db2.gz VOWKEQNEUJEZCL-VIFPVBQESA-N 0 0 184.283 1.967 10 0 ADAERN CCC[C@@H]1CCCN(C(N)=O)CC1 70203989 343478764 /nfs/dbraw/zinc/47/87/64/343478764.db2.gz VOWKEQNEUJEZCL-SECBINFHSA-N 0 0 184.283 1.967 10 0 ADAERN CC[C@@H]1CC[C@](O)(C(=O)OC)C1 70212422 343478884 /nfs/dbraw/zinc/47/88/84/343478884.db2.gz FPLMBWIHWJMSSG-VXNVDRBHSA-N 0 0 172.224 1.101 10 0 ADAERN CC[C@@H]1CC[C@@](O)(C(=O)OC)C1 70212424 343479221 /nfs/dbraw/zinc/47/92/21/343479221.db2.gz FPLMBWIHWJMSSG-APPZFPTMSA-N 0 0 172.224 1.101 10 0 ADAERN CC(=O)N[C@@H](C)c1ccncc1 70218370 343479238 /nfs/dbraw/zinc/47/92/38/343479238.db2.gz VFTNPTDMTRDXJY-ZETCQYMHSA-N 0 0 164.208 1.279 10 0 ADAERN CC[C@H]1CC[C@@](O)(C(=O)OC)C1 70212425 343479249 /nfs/dbraw/zinc/47/92/49/343479249.db2.gz FPLMBWIHWJMSSG-CBAPKCEASA-N 0 0 172.224 1.101 10 0 ADAERN CCOC(=O)N1C[C@@H](C)O[C@H](C)C1 70222888 343479266 /nfs/dbraw/zinc/47/92/66/343479266.db2.gz REZIQWMTGJNWTR-HTQZYQBOSA-N 0 0 187.239 1.252 10 0 ADAERN CC[C@H]1CC[C@](O)(C(=O)OC)C1 70212423 343479318 /nfs/dbraw/zinc/47/93/18/343479318.db2.gz FPLMBWIHWJMSSG-IONNQARKSA-N 0 0 172.224 1.101 10 0 ADAERN CC(=O)N1CCn2c(C)ccc2[C@@H]1C 70218298 343479321 /nfs/dbraw/zinc/47/93/21/343479321.db2.gz SEFDCXZUBYXYFU-VIFPVBQESA-N 0 0 192.262 1.720 10 0 ADAERN CC(=O)N1CCn2c(C)ccc2[C@H]1C 70218296 343479326 /nfs/dbraw/zinc/47/93/26/343479326.db2.gz SEFDCXZUBYXYFU-SECBINFHSA-N 0 0 192.262 1.720 10 0 ADAERN CSCCC(=O)NC(C)C 70218498 343479331 /nfs/dbraw/zinc/47/93/31/343479331.db2.gz PEGCSSKGUMKGCD-UHFFFAOYSA-N 0 0 161.270 1.264 10 0 ADAERN CCOC(=O)N1C[C@H](C)O[C@@H](C)C1 70222890 343479334 /nfs/dbraw/zinc/47/93/34/343479334.db2.gz REZIQWMTGJNWTR-YUMQZZPRSA-N 0 0 187.239 1.252 10 0 ADAERN CC[C@H](C)NC(=O)CCSC 70222825 343479349 /nfs/dbraw/zinc/47/93/49/343479349.db2.gz YAHDZGTYCHFBLK-ZETCQYMHSA-N 0 0 175.297 1.654 10 0 ADAERN CCC(=O)N[C@H](C)c1ccncc1 70218381 343479372 /nfs/dbraw/zinc/47/93/72/343479372.db2.gz BRUHFXVOCXSWER-MRVPVSSYSA-N 0 0 178.235 1.669 10 0 ADAERN CCOC(=O)N1C[C@H](C)O[C@H](C)C1 70222887 343479438 /nfs/dbraw/zinc/47/94/38/343479438.db2.gz REZIQWMTGJNWTR-OCAPTIKFSA-N 0 0 187.239 1.252 10 0 ADAERN Cc1cn(CC2CCCC2)nc1N 70218215 343479478 /nfs/dbraw/zinc/47/94/78/343479478.db2.gz PAIALGAKUYGZPO-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN CC[C@@H](C)NC(=O)CCSC 70222823 343479502 /nfs/dbraw/zinc/47/95/02/343479502.db2.gz YAHDZGTYCHFBLK-SSDOTTSWSA-N 0 0 175.297 1.654 10 0 ADAERN CCC(=O)N[C@@H](C)c1ccncc1 70218379 343479529 /nfs/dbraw/zinc/47/95/29/343479529.db2.gz BRUHFXVOCXSWER-QMMMGPOBSA-N 0 0 178.235 1.669 10 0 ADAERN CCN(CC)C(=O)CCSC 70222967 343479866 /nfs/dbraw/zinc/47/98/66/343479866.db2.gz BFPGFGYKDPQINC-UHFFFAOYSA-N 0 0 175.297 1.608 10 0 ADAERN CSCCC(=O)NCC(C)C 70223290 343479951 /nfs/dbraw/zinc/47/99/51/343479951.db2.gz WQGQGJWBFVZYDB-UHFFFAOYSA-N 0 0 175.297 1.512 10 0 ADAERN CSCCC(=O)NC1CC1 70223247 343479965 /nfs/dbraw/zinc/47/99/65/343479965.db2.gz JCZFTFSWAUUBPW-UHFFFAOYSA-N 0 0 159.254 1.018 10 0 ADAERN CC(=O)N[C@@H](C)c1ccc(C)o1 70224320 343480243 /nfs/dbraw/zinc/48/02/43/343480243.db2.gz UQUIDZJPBGTNNO-ZETCQYMHSA-N 0 0 167.208 1.785 10 0 ADAERN CCOC(=O)Nc1c(C)nn(C)c1C 70224346 343480298 /nfs/dbraw/zinc/48/02/98/343480298.db2.gz BUVCUDGEYLBMNR-UHFFFAOYSA-N 0 0 197.238 1.605 10 0 ADAERN CC(=O)N[C@@H](C)c1ccco1 70224637 343480414 /nfs/dbraw/zinc/48/04/14/343480414.db2.gz TWHBOGHKPTZHDG-LURJTMIESA-N 0 0 153.181 1.477 10 0 ADAERN 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CONCc1cccc(F)c1F 70267757 343485552 /nfs/dbraw/zinc/48/55/52/343485552.db2.gz WYLFLWQYTSTQIA-UHFFFAOYSA-N 0 0 173.162 1.616 10 0 ADAERN CONCC(=O)Nc1ccccc1C 70267441 343485554 /nfs/dbraw/zinc/48/55/54/343485554.db2.gz GCSYSXNJGXTHOF-UHFFFAOYSA-N 0 0 194.234 1.085 10 0 ADAERN CON[C@@H](C)C(=O)Nc1ccccc1 70267473 343485618 /nfs/dbraw/zinc/48/56/18/343485618.db2.gz BOXZMPHBDXXPIG-QMMMGPOBSA-N 0 0 194.234 1.165 10 0 ADAERN CCONC(=O)c1occc1C 70267288 343485623 /nfs/dbraw/zinc/48/56/23/343485623.db2.gz FIHHFCMTDAOZFI-UHFFFAOYSA-N 0 0 169.180 1.269 10 0 ADAERN CONCc1cc(C)cc(C)c1 70267744 343485657 /nfs/dbraw/zinc/48/56/57/343485657.db2.gz TWEGVXMNRSDSDU-UHFFFAOYSA-N 0 0 165.236 1.954 10 0 ADAERN CONC(=O)c1cccnc1SC 70267303 343485669 /nfs/dbraw/zinc/48/56/69/343485669.db2.gz KSQBNMOYTWMXQJ-UHFFFAOYSA-N 0 0 198.247 1.095 10 0 ADAERN CC(C)S(=O)(=O)N1CCCCC1 70236015 343485680 /nfs/dbraw/zinc/48/56/80/343485680.db2.gz BMRHKOJWCCHOEC-UHFFFAOYSA-N 0 0 191.296 1.211 10 0 ADAERN CONC(=O)/C=C/c1sccc1C 70268083 343486049 /nfs/dbraw/zinc/48/60/49/343486049.db2.gz OWNRQHHMNTXBBJ-ONEGZZNKSA-N 0 0 197.259 1.747 10 0 ADAERN CONC(=O)/C=C/c1ccc(C)cc1 70268071 343485971 /nfs/dbraw/zinc/48/59/71/343485971.db2.gz PYEMOHLLTCAIPL-BQYQJAHWSA-N 0 0 191.230 1.686 10 0 ADAERN CSCCC(=O)OC(C)C 70286889 343486746 /nfs/dbraw/zinc/48/67/46/343486746.db2.gz NQUVISDRGCHRRN-UHFFFAOYSA-N 0 0 162.254 1.691 10 0 ADAERN CONC(=O)c1cccc(C)c1C 70268063 343485994 /nfs/dbraw/zinc/48/59/94/343485994.db2.gz GTFCWDNUFLRTDE-UHFFFAOYSA-N 0 0 179.219 1.595 10 0 ADAERN CONC(=O)/C=C/c1csc(C)n1 70267991 343486006 /nfs/dbraw/zinc/48/60/06/343486006.db2.gz FQWJXAOZXSPEMN-ONEGZZNKSA-N 0 0 198.247 1.142 10 0 ADAERN CCONC(=O)C(C)(C)C 70268091 343486020 /nfs/dbraw/zinc/48/60/20/343486020.db2.gz BUHWTEKQLOECCN-UHFFFAOYSA-N 0 0 145.202 1.100 10 0 ADAERN CONC(=O)/C=C/c1ccc(C)o1 70268072 343486043 /nfs/dbraw/zinc/48/60/43/343486043.db2.gz HRDNFKZYEYPXKX-AATRIKPKSA-N 0 0 181.191 1.279 10 0 ADAERN CCONC(=O)c1ccoc1C 70268135 343486118 /nfs/dbraw/zinc/48/61/18/343486118.db2.gz FZYIYDLYDXBDHK-UHFFFAOYSA-N 0 0 169.180 1.269 10 0 ADAERN CC(C)OC(=O)c1ncccc1O 70286946 343486461 /nfs/dbraw/zinc/48/64/61/343486461.db2.gz PUSJMOKELJCHAF-UHFFFAOYSA-N 0 0 181.191 1.352 10 0 ADAERN COC[C@H](C)N(C)C(=O)C(F)(F)F 70286944 343486498 /nfs/dbraw/zinc/48/64/98/343486498.db2.gz HAUHYQMACFUVCI-YFKPBYRVSA-N 0 0 199.172 1.042 10 0 ADAERN CCONC(=O)c1ccc(C)nc1C 70268516 343486529 /nfs/dbraw/zinc/48/65/29/343486529.db2.gz PWMSZUDTXHUJEC-UHFFFAOYSA-N 0 0 194.234 1.380 10 0 ADAERN COC[C@@H](C)N(C)C(=O)C(F)(F)F 70286945 343486568 /nfs/dbraw/zinc/48/65/68/343486568.db2.gz HAUHYQMACFUVCI-RXMQYKEDSA-N 0 0 199.172 1.042 10 0 ADAERN Cn1cc([C@H](O)C2CCC2)cn1 70286929 343486622 /nfs/dbraw/zinc/48/66/22/343486622.db2.gz RKRDSKXUSXAQDZ-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN CNc1ncnc2cc(F)ccc12 70286911 343486712 /nfs/dbraw/zinc/48/67/12/343486712.db2.gz DKEQNRTYOHJOOZ-UHFFFAOYSA-N 0 0 177.182 1.811 10 0 ADAERN Cn1cc([C@@H](O)C2CCC2)cn1 70286930 343486715 /nfs/dbraw/zinc/48/67/15/343486715.db2.gz RKRDSKXUSXAQDZ-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN CONCc1cnc(C)s1 70270139 343486734 /nfs/dbraw/zinc/48/67/34/343486734.db2.gz WKKRIUBERPDZMW-UHFFFAOYSA-N 0 0 158.226 1.103 10 0 ADAERN Cc1oncc1C(=O)OC(C)C 70286907 343486754 /nfs/dbraw/zinc/48/67/54/343486754.db2.gz LDIARCZNSBDGIP-UHFFFAOYSA-N 0 0 169.180 1.548 10 0 ADAERN C[C@H](C[N@@H+]1CCCCC[C@H]1C)C(=O)[O-] 70410284 343486844 /nfs/dbraw/zinc/48/68/44/343486844.db2.gz ZRLZJVOTBIFAQC-NXEZZACHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H]1CCCCC[N@H+]1C[C@@H](C)C(=O)[O-] 70410285 343486917 /nfs/dbraw/zinc/48/69/17/343486917.db2.gz ZRLZJVOTBIFAQC-ZJUUUORDSA-N 0 0 199.294 1.972 10 0 ADAERN O=C1CC[C@H](CC2CCCC2)C(=O)N1 70427482 343486954 /nfs/dbraw/zinc/48/69/54/343486954.db2.gz VQQQXPHYYFTCOZ-SECBINFHSA-N 0 0 195.262 1.620 10 0 ADAERN O=C1CC[C@@H](CC2CCCC2)C(=O)N1 70427481 343487049 /nfs/dbraw/zinc/48/70/49/343487049.db2.gz VQQQXPHYYFTCOZ-VIFPVBQESA-N 0 0 195.262 1.620 10 0 ADAERN C[C@@H](O)Cn1cc(C(F)(F)F)cn1 70467114 343487887 /nfs/dbraw/zinc/48/78/87/343487887.db2.gz KFBQWZQYAFODDN-RXMQYKEDSA-N 0 0 194.156 1.283 10 0 ADAERN C[C@@H]1CO[C@@H]2c3ccccc3C(=O)N12 70453678 343487926 /nfs/dbraw/zinc/48/79/26/343487926.db2.gz ZPWSFMCLMRAJHF-RDDDGLTNSA-N 0 0 189.214 1.560 10 0 ADAERN Cc1cc(N)n([C@@H]2CCCOC2)n1 70464932 343487953 /nfs/dbraw/zinc/48/79/53/343487953.db2.gz PYCRHXITLULHDQ-MRVPVSSYSA-N 0 0 181.239 1.125 10 0 ADAERN Cc1cc(N)n([C@H]2CCCOC2)n1 70464933 343487987 /nfs/dbraw/zinc/48/79/87/343487987.db2.gz PYCRHXITLULHDQ-QMMMGPOBSA-N 0 0 181.239 1.125 10 0 ADAERN C[C@H]1CO[C@H]2c3ccccc3C(=O)N12 70453677 343488012 /nfs/dbraw/zinc/48/80/12/343488012.db2.gz ZPWSFMCLMRAJHF-CPCISQLKSA-N 0 0 189.214 1.560 10 0 ADAERN COC(=O)[C@H](C)Nc1ccncc1C 70489521 343488132 /nfs/dbraw/zinc/48/81/32/343488132.db2.gz QFHBWGFILVLCEG-QMMMGPOBSA-N 0 0 194.234 1.363 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccncc1C 70489522 343488167 /nfs/dbraw/zinc/48/81/67/343488167.db2.gz QFHBWGFILVLCEG-MRVPVSSYSA-N 0 0 194.234 1.363 10 0 ADAERN C[C@H](O)Cn1cc(C(F)(F)F)cn1 70467113 343488222 /nfs/dbraw/zinc/48/82/22/343488222.db2.gz KFBQWZQYAFODDN-YFKPBYRVSA-N 0 0 194.156 1.283 10 0 ADAERN CC(C)[NH2+][C@@H]1CCC[C@@H](C(=O)[O-])C1 70502235 343488551 /nfs/dbraw/zinc/48/85/51/343488551.db2.gz NLLGMXLHDKDVLF-RKDXNWHRSA-N 0 0 185.267 1.628 10 0 ADAERN CC(C)[NH2+][C@H]1CCC[C@H](C(=O)[O-])C1 70502233 343488557 /nfs/dbraw/zinc/48/85/57/343488557.db2.gz NLLGMXLHDKDVLF-IUCAKERBSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@H](O)c1ccc2c(c1)C(=O)NCC2 70531875 343488967 /nfs/dbraw/zinc/48/89/67/343488967.db2.gz DKQIQMAITABTKD-ZETCQYMHSA-N 0 0 191.230 1.026 10 0 ADAERN C[C@H]1CCCCC[N@H+]1[C@@H](C)C(=O)[O-] 70531700 343489007 /nfs/dbraw/zinc/48/90/07/343489007.db2.gz IVPWSMUUOBLOHM-IUCAKERBSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1CCCCC[C@H]1C 70531699 343489193 /nfs/dbraw/zinc/48/91/93/343489193.db2.gz IVPWSMUUOBLOHM-BDAKNGLRSA-N 0 0 185.267 1.724 10 0 ADAERN Nc1ncccc1[C@@H](O)c1ccoc1 70535041 343489586 /nfs/dbraw/zinc/48/95/86/343489586.db2.gz MZRBGYYNOMLUDA-VIFPVBQESA-N 0 0 190.202 1.339 10 0 ADAERN Nc1ncccc1[C@H](O)c1ccoc1 70535040 343489605 /nfs/dbraw/zinc/48/96/05/343489605.db2.gz MZRBGYYNOMLUDA-SECBINFHSA-N 0 0 190.202 1.339 10 0 ADAERN C[C@H](C[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] 70543674 343489611 /nfs/dbraw/zinc/48/96/11/343489611.db2.gz INDTZTDSAPZOOY-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@@H](C[N@@H+]1CCCC(C)(C)C1)C(=O)[O-] 70543673 343489796 /nfs/dbraw/zinc/48/97/96/343489796.db2.gz INDTZTDSAPZOOY-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN CC[C@@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 70563281 343491779 /nfs/dbraw/zinc/49/17/79/343491779.db2.gz VZDPDRWUZDDHRM-APPZFPTMSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 70563279 343491782 /nfs/dbraw/zinc/49/17/82/343491782.db2.gz VZDPDRWUZDDHRM-VXNVDRBHSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@H]1CCC[C@@]([NH3+])(C(=O)[O-])C1 70563282 343491790 /nfs/dbraw/zinc/49/17/90/343491790.db2.gz VZDPDRWUZDDHRM-CBAPKCEASA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 70563280 343491929 /nfs/dbraw/zinc/49/19/29/343491929.db2.gz VZDPDRWUZDDHRM-IONNQARKSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@@H]1CCC[C@@](C(=O)[O-])([NH+](C)C)C1 70563662 343492335 /nfs/dbraw/zinc/49/23/35/343492335.db2.gz IRWLRSZMEFDELO-MWLCHTKSSA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H]1CCC[C@@](C(=O)[O-])([NH+](C)C)C1 70563663 343492391 /nfs/dbraw/zinc/49/23/91/343492391.db2.gz IRWLRSZMEFDELO-GXSJLCMTSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CCC[C@@H](n2cnc(CN)n2)C1 70567700 343493211 /nfs/dbraw/zinc/49/32/11/343493211.db2.gz RQIPRMDMKKNHAG-RKDXNWHRSA-N 0 0 194.282 1.488 10 0 ADAERN C[C@@H]1CCC[C@@H](n2cc(CO)nn2)C1 70567288 343493289 /nfs/dbraw/zinc/49/32/89/343493289.db2.gz DYHUSGQSJIYPHI-PSASIEDQSA-N 0 0 195.266 1.522 10 0 ADAERN C[C@H]1CCC[C@@H](n2cc(CO)nn2)C1 70567289 343493299 /nfs/dbraw/zinc/49/32/99/343493299.db2.gz DYHUSGQSJIYPHI-WCBMZHEXSA-N 0 0 195.266 1.522 10 0 ADAERN C[C@H]1CCC[C@H](n2cnc(CN)n2)C1 70567699 343493301 /nfs/dbraw/zinc/49/33/01/343493301.db2.gz RQIPRMDMKKNHAG-IUCAKERBSA-N 0 0 194.282 1.488 10 0 ADAERN C[C@H]1CCC[C@@H](n2cnc(CN)n2)C1 70567701 343493386 /nfs/dbraw/zinc/49/33/86/343493386.db2.gz RQIPRMDMKKNHAG-DTWKUNHWSA-N 0 0 194.282 1.488 10 0 ADAERN C[C@@H]1CCC[C@H](n2cc(CO)nn2)C1 70567286 343493403 /nfs/dbraw/zinc/49/34/03/343493403.db2.gz DYHUSGQSJIYPHI-SCZZXKLOSA-N 0 0 195.266 1.522 10 0 ADAERN C[C@H]1CCC[C@H](n2cc(CO)nn2)C1 70567287 343493455 /nfs/dbraw/zinc/49/34/55/343493455.db2.gz DYHUSGQSJIYPHI-WPRPVWTQSA-N 0 0 195.266 1.522 10 0 ADAERN C[C@@H]1CCC[C@H](n2cnc(CN)n2)C1 70567698 343493467 /nfs/dbraw/zinc/49/34/67/343493467.db2.gz RQIPRMDMKKNHAG-BDAKNGLRSA-N 0 0 194.282 1.488 10 0 ADAERN CC[C@@H]1CCCC[C@]12NC(=O)NC2=O 70568326 343493704 /nfs/dbraw/zinc/49/37/04/343493704.db2.gz GYJUDBGHQRRAMX-XCBNKYQSSA-N 0 0 196.250 1.165 10 0 ADAERN CC[C@@H]1CCCc2cc(N)nnc21 70568216 343493736 /nfs/dbraw/zinc/49/37/36/343493736.db2.gz CZVWLMLNGCCNLX-SSDOTTSWSA-N 0 0 177.251 1.889 10 0 ADAERN CC[C@@H]1CCCC[C@]12CC(=O)NC2=O 70567980 343493739 /nfs/dbraw/zinc/49/37/39/343493739.db2.gz SKZZZOANSZQVSN-KCJUWKMLSA-N 0 0 195.262 1.620 10 0 ADAERN CC[C@@H]1CCCC[C@@]12CC(=O)NC2=O 70567978 343493752 /nfs/dbraw/zinc/49/37/52/343493752.db2.gz SKZZZOANSZQVSN-LDYMZIIASA-N 0 0 195.262 1.620 10 0 ADAERN CC[C@@H]1CCCC[C@]1([NH3+])C(=O)[O-] 70568536 343493761 /nfs/dbraw/zinc/49/37/61/343493761.db2.gz ZIDZMUGATQQTFR-VXNVDRBHSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@H]1CCCc2cnc(N)nc21 70568257 343493762 /nfs/dbraw/zinc/49/37/62/343493762.db2.gz UVSZMMOBEMXWIG-ZETCQYMHSA-N 0 0 177.251 1.889 10 0 ADAERN CC[C@H]1CCCC[C@@]12NC(=O)NC2=O 70568329 343493764 /nfs/dbraw/zinc/49/37/64/343493764.db2.gz GYJUDBGHQRRAMX-OIBJUYFYSA-N 0 0 196.250 1.165 10 0 ADAERN CC[C@@H]1CCCc2cnc(N)nc21 70568256 343493766 /nfs/dbraw/zinc/49/37/66/343493766.db2.gz UVSZMMOBEMXWIG-SSDOTTSWSA-N 0 0 177.251 1.889 10 0 ADAERN CC[C@H]1CCCC[C@]1([NH3+])C(=O)[O-] 70568537 343493796 /nfs/dbraw/zinc/49/37/96/343493796.db2.gz ZIDZMUGATQQTFR-IONNQARKSA-N 0 0 171.240 1.369 10 0 ADAERN CC[C@H]1CCCC[C@]12NC(=O)NC2=O 70568327 343493811 /nfs/dbraw/zinc/49/38/11/343493811.db2.gz GYJUDBGHQRRAMX-XVKPBYJWSA-N 0 0 196.250 1.165 10 0 ADAERN CC[C@H]1CCCC[C@]12CC(=O)NC2=O 70567981 343493818 /nfs/dbraw/zinc/49/38/18/343493818.db2.gz SKZZZOANSZQVSN-KWQFWETISA-N 0 0 195.262 1.620 10 0 ADAERN CC[C@@H]1CCCC[C@@]12NC(=O)NC2=O 70568328 343493833 /nfs/dbraw/zinc/49/38/33/343493833.db2.gz GYJUDBGHQRRAMX-GMSGAONNSA-N 0 0 196.250 1.165 10 0 ADAERN CC[C@H]1CCCc2cc(N)nnc21 70568217 343493834 /nfs/dbraw/zinc/49/38/34/343493834.db2.gz CZVWLMLNGCCNLX-ZETCQYMHSA-N 0 0 177.251 1.889 10 0 ADAERN CC[C@H]1CCCC[C@@]12CC(=O)NC2=O 70567979 343493878 /nfs/dbraw/zinc/49/38/78/343493878.db2.gz SKZZZOANSZQVSN-GZMMTYOYSA-N 0 0 195.262 1.620 10 0 ADAERN Cc1noc(-c2c(C)cccc2N)n1 70569188 343493992 /nfs/dbraw/zinc/49/39/92/343493992.db2.gz QEPSKVSKDASTMW-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC[C@H]1CCCC[C@@]1([NH2+]C)C(=O)[O-] 70568543 343494074 /nfs/dbraw/zinc/49/40/74/343494074.db2.gz NDNJPSAAKQFHJV-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1nc(-c2c(C)cccc2N)n[nH]1 70569193 343494138 /nfs/dbraw/zinc/49/41/38/343494138.db2.gz YEGHEQXPBQVBIU-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CC[C@@H]1CCCC[C@]1([NH2+]C)C(=O)[O-] 70568540 343494147 /nfs/dbraw/zinc/49/41/47/343494147.db2.gz NDNJPSAAKQFHJV-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CC[C@H]1CCCC[C@@]1([NH3+])C(=O)[O-] 70568539 343494164 /nfs/dbraw/zinc/49/41/64/343494164.db2.gz ZIDZMUGATQQTFR-CBAPKCEASA-N 0 0 171.240 1.369 10 0 ADAERN Cc1cccc(N)c1-c1nc[nH]n1 70569202 343494177 /nfs/dbraw/zinc/49/41/77/343494177.db2.gz RIKXHMLUWJVLMC-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CC[C@H]1CCCC[C@]1([NH2+]C)C(=O)[O-] 70568541 343494220 /nfs/dbraw/zinc/49/42/20/343494220.db2.gz NDNJPSAAKQFHJV-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1cccc(N)c1-c1nncn1C 70569203 343494252 /nfs/dbraw/zinc/49/42/52/343494252.db2.gz MHKDKNOKJOWYJR-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC[C@@H]1CCCC[C@@]1([NH3+])C(=O)[O-] 70568538 343494262 /nfs/dbraw/zinc/49/42/62/343494262.db2.gz ZIDZMUGATQQTFR-APPZFPTMSA-N 0 0 171.240 1.369 10 0 ADAERN Nc1cccc2c1ccn2CCO 70569155 343494264 /nfs/dbraw/zinc/49/42/64/343494264.db2.gz HSHSWQCMPASSBN-UHFFFAOYSA-N 0 0 176.219 1.216 10 0 ADAERN C=Cc1nc(-c2ccco2)no1 70581061 343494375 /nfs/dbraw/zinc/49/43/75/343494375.db2.gz HTEJPOAQQLUWRP-UHFFFAOYSA-N 0 0 162.148 1.973 10 0 ADAERN C=Cc1nc(CC(F)(F)F)no1 70580983 343494352 /nfs/dbraw/zinc/49/43/52/343494352.db2.gz NMVVDANMLWHGAN-UHFFFAOYSA-N 0 0 178.113 1.817 10 0 ADAERN C=Cc1nc(C(C)C)no1 70580977 343494379 /nfs/dbraw/zinc/49/43/79/343494379.db2.gz GPOWZLXYEOXLIT-UHFFFAOYSA-N 0 0 138.170 1.836 10 0 ADAERN C=Cc1nc(C2CC2)no1 70581011 343494403 /nfs/dbraw/zinc/49/44/03/343494403.db2.gz HCRLPVDJPQPUBO-UHFFFAOYSA-N 0 0 136.154 1.590 10 0 ADAERN C=Cc1nc(CC)no1 70581000 343494418 /nfs/dbraw/zinc/49/44/18/343494418.db2.gz WJRDYDGJKAJVNI-UHFFFAOYSA-N 0 0 124.143 1.275 10 0 ADAERN C=Cc1nc(-c2ccccn2)no1 70580976 343494449 /nfs/dbraw/zinc/49/44/49/343494449.db2.gz NJMOWLCOEWEEBD-UHFFFAOYSA-N 0 0 173.175 1.775 10 0 ADAERN C=Cc1nc(C[C@@H]2CCCO2)no1 70581046 343494526 /nfs/dbraw/zinc/49/45/26/343494526.db2.gz AUWYFAOVHYNITG-ZETCQYMHSA-N 0 0 180.207 1.434 10 0 ADAERN C=Cc1nc(C[C@H]2CCCO2)no1 70581047 343494571 /nfs/dbraw/zinc/49/45/71/343494571.db2.gz AUWYFAOVHYNITG-SSDOTTSWSA-N 0 0 180.207 1.434 10 0 ADAERN Clc1n[nH]c(Cc2cccnc2)n1 70584172 343496368 /nfs/dbraw/zinc/49/63/68/343496368.db2.gz YDEBXQGWOBGPNC-UHFFFAOYSA-N 0 0 194.625 1.444 10 0 ADAERN CC[C@@H](C)c1nc(Cl)n[nH]1 70584195 343496382 /nfs/dbraw/zinc/49/63/82/343496382.db2.gz ZTPIWIKYBWVVFZ-SCSAIBSYSA-N 0 0 159.620 1.972 10 0 ADAERN CSCc1nc(Cl)n[nH]1 70584141 343496410 /nfs/dbraw/zinc/49/64/10/343496410.db2.gz ZZZBVBFXZBMSLB-UHFFFAOYSA-N 0 0 163.633 1.321 10 0 ADAERN Clc1n[nH]c(C[C@@H]2CCCO2)n1 70584155 343496427 /nfs/dbraw/zinc/49/64/27/343496427.db2.gz UNJFKLFCUDFPLY-YFKPBYRVSA-N 0 0 187.630 1.180 10 0 ADAERN CC[C@H](C)c1nc(Cl)n[nH]1 70584196 343496489 /nfs/dbraw/zinc/49/64/89/343496489.db2.gz ZTPIWIKYBWVVFZ-BYPYZUCNSA-N 0 0 159.620 1.972 10 0 ADAERN Cc1cccc(-c2nc(Cl)n[nH]2)n1 70584150 343496495 /nfs/dbraw/zinc/49/64/95/343496495.db2.gz VXDYXJUIFYBYNT-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN Clc1n[nH]c(Cc2ccncc2)n1 70584187 343496595 /nfs/dbraw/zinc/49/65/95/343496595.db2.gz JQITVLJKSOFJNQ-UHFFFAOYSA-N 0 0 194.625 1.444 10 0 ADAERN CC(C)(C)c1nc(Cl)n[nH]1 70584122 343496614 /nfs/dbraw/zinc/49/66/14/343496614.db2.gz KPTAZOWVDNWABX-UHFFFAOYSA-N 0 0 159.620 1.756 10 0 ADAERN Clc1n[nH]c(-c2ccoc2)n1 70584174 343496640 /nfs/dbraw/zinc/49/66/40/343496640.db2.gz XEYKTWATYLZAOJ-UHFFFAOYSA-N 0 0 169.571 1.718 10 0 ADAERN Clc1n[nH]c(C[C@H]2CCCO2)n1 70584154 343496658 /nfs/dbraw/zinc/49/66/58/343496658.db2.gz UNJFKLFCUDFPLY-RXMQYKEDSA-N 0 0 187.630 1.180 10 0 ADAERN Cc1ccnc(-c2nc(Cl)n[nH]2)c1 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343502442 /nfs/dbraw/zinc/50/24/42/343502442.db2.gz MDKVWRGCMOTQTF-SNVBAGLBSA-N 0 0 197.278 1.614 10 0 ADAERN CCC(=O)CN1CC[C@@H](C)CCC1=O 70612336 343502444 /nfs/dbraw/zinc/50/24/44/343502444.db2.gz OYGIBWJOXFXQPF-VIFPVBQESA-N 0 0 197.278 1.614 10 0 ADAERN CC[C@@H](O)CN1CC[C@H](C)CCC1=O 70612352 343502448 /nfs/dbraw/zinc/50/24/48/343502448.db2.gz CEVXVRFTAFLMIU-NXEZZACHSA-N 0 0 199.294 1.406 10 0 ADAERN CC(=O)CCN1CC[C@H](C)CCC1=O 70612345 343502456 /nfs/dbraw/zinc/50/24/56/343502456.db2.gz RPLIMLSLCIJBFT-SECBINFHSA-N 0 0 197.278 1.614 10 0 ADAERN CCC(=O)CN1CC[C@H](C)CCC1=O 70612335 343502487 /nfs/dbraw/zinc/50/24/87/343502487.db2.gz OYGIBWJOXFXQPF-SECBINFHSA-N 0 0 197.278 1.614 10 0 ADAERN C[C@H]1CCC(=O)N(C[C@@H]2CO2)CC1 70612288 343502494 /nfs/dbraw/zinc/50/24/94/343502494.db2.gz MZBJMYHJMZTFNF-DTWKUNHWSA-N 0 0 183.251 1.034 10 0 ADAERN CC[C@H]1CCC(=O)N(CC(C)=O)CC1 70611744 343502499 /nfs/dbraw/zinc/50/24/99/343502499.db2.gz MDKVWRGCMOTQTF-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN CC[C@H](O)CN1CC[C@H](C)CCC1=O 70612351 343502505 /nfs/dbraw/zinc/50/25/05/343502505.db2.gz CEVXVRFTAFLMIU-ZJUUUORDSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H](O)CCN1CC[C@@H](C)CCC1=O 70612392 343502544 /nfs/dbraw/zinc/50/25/44/343502544.db2.gz CPDNPZBNGKXOSR-UWVGGRQHSA-N 0 0 199.294 1.406 10 0 ADAERN CC(=O)CN1CC[C@H](C)CCC1=O 70612333 343502558 /nfs/dbraw/zinc/50/25/58/343502558.db2.gz BSBBNESKHSILDF-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@H]1CCC(=O)N(C[C@H]2CO2)CC1 70612290 343502586 /nfs/dbraw/zinc/50/25/86/343502586.db2.gz MZBJMYHJMZTFNF-IUCAKERBSA-N 0 0 183.251 1.034 10 0 ADAERN CC[C@@H]1CCCN(C(N)=S)CC1 70613155 343502876 /nfs/dbraw/zinc/50/28/76/343502876.db2.gz MRQQBHWYVDJJBJ-MRVPVSSYSA-N 0 0 186.324 1.742 10 0 ADAERN Nc1cccc2c1CCN2CC(F)F 70614481 343502941 /nfs/dbraw/zinc/50/29/41/343502941.db2.gz ZKVBRQICVIZWOG-UHFFFAOYSA-N 0 0 198.216 1.896 10 0 ADAERN CC[C@H]1CCCN(C(N)=S)CC1 70613156 343502969 /nfs/dbraw/zinc/50/29/69/343502969.db2.gz MRQQBHWYVDJJBJ-QMMMGPOBSA-N 0 0 186.324 1.742 10 0 ADAERN CCCc1nnc2c(Cl)nccn12 70616305 343503048 /nfs/dbraw/zinc/50/30/48/343503048.db2.gz FDUXFAKVPICPBP-UHFFFAOYSA-N 0 0 196.641 1.730 10 0 ADAERN CCCNc1nccn2c(C)nnc12 70616425 343503709 /nfs/dbraw/zinc/50/37/09/343503709.db2.gz DMZVGSNPGNHITR-UHFFFAOYSA-N 0 0 191.238 1.255 10 0 ADAERN C[C@@]1(C(=O)[O-])CCC[N@@H+]1C1CCCC1 70618273 343503970 /nfs/dbraw/zinc/50/39/70/343503970.db2.gz WQJFTSJCRIUVJD-NSHDSACASA-N 0 0 197.278 1.868 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 70618068 343503978 /nfs/dbraw/zinc/50/39/78/343503978.db2.gz AEOFUYMKDQODLH-VIFPVBQESA-N 0 0 171.240 1.334 10 0 ADAERN CC[C@H](C)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 70618159 343504017 /nfs/dbraw/zinc/50/40/17/343504017.db2.gz SAUVYOQQZOFKBK-WPRPVWTQSA-N 0 0 185.267 1.724 10 0 ADAERN CC(C)[N@@H+]1CCC[C@]1(C)C(=O)[O-] 70618069 343504031 /nfs/dbraw/zinc/50/40/31/343504031.db2.gz AEOFUYMKDQODLH-SECBINFHSA-N 0 0 171.240 1.334 10 0 ADAERN C[C@]1(C(=O)[O-])CCC[N@@H+]1C1CCCC1 70618272 343504096 /nfs/dbraw/zinc/50/40/96/343504096.db2.gz WQJFTSJCRIUVJD-LLVKDONJSA-N 0 0 197.278 1.868 10 0 ADAERN CC[C@@H](C)[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 70618158 343504162 /nfs/dbraw/zinc/50/41/62/343504162.db2.gz SAUVYOQQZOFKBK-SCZZXKLOSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H]([NH3+])c1ccc([S-])cc1 70620922 343504568 /nfs/dbraw/zinc/50/45/68/343504568.db2.gz BYBGCPRKIOIVDZ-LURJTMIESA-N 0 0 153.250 1.995 10 0 ADAERN C[C@@H](N=C=O)c1nccs1 70621301 343504798 /nfs/dbraw/zinc/50/47/98/343504798.db2.gz NXSSCXBTINNPIZ-RXMQYKEDSA-N 0 0 154.194 1.540 10 0 ADAERN C[C@H](N=C=O)c1nccs1 70621300 343504840 /nfs/dbraw/zinc/50/48/40/343504840.db2.gz NXSSCXBTINNPIZ-YFKPBYRVSA-N 0 0 154.194 1.540 10 0 ADAERN c1c[nH]c(CNCc2ccoc2)n1 70621339 343504850 /nfs/dbraw/zinc/50/48/50/343504850.db2.gz WAUBGWVCRQWAMD-UHFFFAOYSA-N 0 0 177.207 1.293 10 0 ADAERN CCc1nc(NC2CC2)[nH]c(=O)c1C 70622021 343505077 /nfs/dbraw/zinc/50/50/77/343505077.db2.gz VZWKBWIFRCFOHO-UHFFFAOYSA-N 0 0 193.250 1.215 10 0 ADAERN CCc1c(C)nc(NC2CC2)[nH]c1=O 70622020 343505140 /nfs/dbraw/zinc/50/51/40/343505140.db2.gz HWOROWSHGLFXKF-UHFFFAOYSA-N 0 0 193.250 1.215 10 0 ADAERN CC1(C)CCC([NH2+]CC(=O)[O-])CC1 70623001 343505736 /nfs/dbraw/zinc/50/57/36/343505736.db2.gz PLXXIZFEYCKRFG-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN CCc1nc(-c2ccncc2N)n[nH]1 70623468 343506080 /nfs/dbraw/zinc/50/60/80/343506080.db2.gz HFWYIERLAJHBRB-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN Cc1noc(-c2ccnc(N)c2)n1 70623531 343506199 /nfs/dbraw/zinc/50/61/99/343506199.db2.gz ITYGSKYPMFJXOI-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCc1nc(-c2ccnc(N)c2)n[nH]1 70623541 343506298 /nfs/dbraw/zinc/50/62/98/343506298.db2.gz QEPZAVNVOKOQEU-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN CNc1n[nH]c2c1CC(C)(C)CC2 70623316 343506490 /nfs/dbraw/zinc/50/64/90/343506490.db2.gz WYDHJCJKFYXFRW-UHFFFAOYSA-N 0 0 179.267 1.966 10 0 ADAERN Nc1cnccc1C(=O)OC1CCC1 70623512 343506514 /nfs/dbraw/zinc/50/65/14/343506514.db2.gz JIWBWGWFMGXUHC-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN CC[C@@H](COC)Nc1cccnn1 70626018 343506713 /nfs/dbraw/zinc/50/67/13/343506713.db2.gz OKPIHCUXSAYDLQ-QMMMGPOBSA-N 0 0 181.239 1.314 10 0 ADAERN Nc1nnc(-c2ccc(Cl)cn2)o1 70624932 343506728 /nfs/dbraw/zinc/50/67/28/343506728.db2.gz RNGILEAOXIMPFK-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN CC(C)OC(=O)c1ccnc(N)c1 70623567 343506755 /nfs/dbraw/zinc/50/67/55/343506755.db2.gz JFPBVRPLIITXLX-UHFFFAOYSA-N 0 0 180.207 1.229 10 0 ADAERN Nc1noc(-c2ccc(Cl)cn2)n1 70624969 343506869 /nfs/dbraw/zinc/50/68/69/343506869.db2.gz QQKLUPJYOIUMRP-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN Nc1cc(C(=O)OC2CCC2)ccn1 70623587 343506900 /nfs/dbraw/zinc/50/69/00/343506900.db2.gz GBPPHBGIILRWEK-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN CC[C@H](COC)Nc1cccnn1 70626019 343506948 /nfs/dbraw/zinc/50/69/48/343506948.db2.gz OKPIHCUXSAYDLQ-MRVPVSSYSA-N 0 0 181.239 1.314 10 0 ADAERN Nc1cc(-n2cnnc2)c(F)cc1F 70626532 343507071 /nfs/dbraw/zinc/50/70/71/343507071.db2.gz SXZMRIXNGBIAGS-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CNC(=O)[C@H]1CNc2ccccc2C1 70627127 343507249 /nfs/dbraw/zinc/50/72/49/343507249.db2.gz LDROAXVUGZZYDL-SECBINFHSA-N 0 0 190.246 1.017 10 0 ADAERN CNC(=O)[C@@H]1CNc2ccccc2C1 70627128 343507299 /nfs/dbraw/zinc/50/72/99/343507299.db2.gz LDROAXVUGZZYDL-VIFPVBQESA-N 0 0 190.246 1.017 10 0 ADAERN C[C@@H]1[C@@H](c2ccco2)NCC[S@@]1=O 70627501 343507327 /nfs/dbraw/zinc/50/73/27/343507327.db2.gz PUJCPONOKUTBLF-BZTNIEFMSA-N 0 0 199.275 1.061 10 0 ADAERN C[C@@H]1[C@H](c2ccco2)NCC[S@@]1=O 70627499 343507401 /nfs/dbraw/zinc/50/74/01/343507401.db2.gz PUJCPONOKUTBLF-HUQFOHBGSA-N 0 0 199.275 1.061 10 0 ADAERN CC1(C)CCC[C@@H]([NH2+]CC(=O)[O-])C1 70628929 343508668 /nfs/dbraw/zinc/50/86/68/343508668.db2.gz PHQYKZFSYOBZBG-MRVPVSSYSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1ccn(Cc2cccc(N)c2)n1 70629221 343508772 /nfs/dbraw/zinc/50/87/72/343508772.db2.gz BRZIKRGKGRAUNN-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN Cc1ccnn1Cc1csc(N)n1 70629781 343509368 /nfs/dbraw/zinc/50/93/68/343509368.db2.gz CBZDJQKFLMHIQZ-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1ccn(Cc2csc(N)n2)n1 70629779 343509370 /nfs/dbraw/zinc/50/93/70/343509370.db2.gz YQFMVQYPULOTEI-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1ccnn1Cc1cccnc1N 70629976 343509690 /nfs/dbraw/zinc/50/96/90/343509690.db2.gz VFOVQHJTEFFOIC-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1n[nH]cc1-c1noc(N)c1C 70630662 343509799 /nfs/dbraw/zinc/50/97/99/343509799.db2.gz LRIJTFUXKRJJLR-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN Cc1ccnn1Cc1ccnc(N)c1 70629967 343509803 /nfs/dbraw/zinc/50/98/03/343509803.db2.gz WVBPAHJRVJDSCX-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1ccn(Cc2ccc(N)nc2)n1 70629948 343510007 /nfs/dbraw/zinc/51/00/07/343510007.db2.gz ANNKMJXEIJRLTK-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1ccn(Cc2cccnc2N)n1 70629961 343510047 /nfs/dbraw/zinc/51/00/47/343510047.db2.gz DBSQNFDMRSFSKC-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1csc([C@@H](C)NC#N)n1 70634658 343511430 /nfs/dbraw/zinc/51/14/30/343511430.db2.gz HKRZYIDNHNWLBY-ZCFIWIBFSA-N 0 0 167.237 1.583 10 0 ADAERN Cc1csc([C@H](C)NC#N)n1 70634659 343511182 /nfs/dbraw/zinc/51/11/82/343511182.db2.gz HKRZYIDNHNWLBY-LURJTMIESA-N 0 0 167.237 1.583 10 0 ADAERN C[C@H](NC#N)c1nccs1 70634435 343511184 /nfs/dbraw/zinc/51/11/84/343511184.db2.gz DPVCVPHHUMQVEP-YFKPBYRVSA-N 0 0 153.210 1.275 10 0 ADAERN C[C@@H](NC#N)c1nccs1 70634436 343511245 /nfs/dbraw/zinc/51/12/45/343511245.db2.gz DPVCVPHHUMQVEP-RXMQYKEDSA-N 0 0 153.210 1.275 10 0 ADAERN CC[C@H](NC#N)c1nccs1 70634301 343511303 /nfs/dbraw/zinc/51/13/03/343511303.db2.gz XTUCOCYGCDQZDT-LURJTMIESA-N 0 0 167.237 1.665 10 0 ADAERN C[C@@H](NC1COC1)c1nccs1 70634406 343511316 /nfs/dbraw/zinc/51/13/16/343511316.db2.gz RLKDNSCTJNRLSC-ZCFIWIBFSA-N 0 0 184.264 1.193 10 0 ADAERN CC[C@@H](NC#N)c1nccs1 70634302 343511414 /nfs/dbraw/zinc/51/14/14/343511414.db2.gz XTUCOCYGCDQZDT-ZCFIWIBFSA-N 0 0 167.237 1.665 10 0 ADAERN C[C@H](NC1COC1)c1nccs1 70634405 343511537 /nfs/dbraw/zinc/51/15/37/343511537.db2.gz RLKDNSCTJNRLSC-LURJTMIESA-N 0 0 184.264 1.193 10 0 ADAERN Nc1ncccc1CC1CC1 70635221 343511878 /nfs/dbraw/zinc/51/18/78/343511878.db2.gz ZPTFDWFJOSZMDF-UHFFFAOYSA-N 0 0 148.209 1.616 10 0 ADAERN Cc1cc(NCc2ncc[nH]2)ncn1 70646544 343517308 /nfs/dbraw/zinc/51/73/08/343517308.db2.gz UQPWRBNUONQCFF-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Cc1ccnc(NCc2ncc[nH]2)n1 70646504 343517402 /nfs/dbraw/zinc/51/74/02/343517402.db2.gz PVZIEISNMKWBHJ-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN Fc1cccnc1NCc1ncc[nH]1 70646555 343517412 /nfs/dbraw/zinc/51/74/12/343517412.db2.gz RHHFIOKVLDSXTM-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN Nc1ccccc1NCc1ncc[nH]1 70645974 343517432 /nfs/dbraw/zinc/51/74/32/343517432.db2.gz YJKOGXQNAKRVET-UHFFFAOYSA-N 0 0 188.234 1.604 10 0 ADAERN Cn1cccc1CNCc1ncc[nH]1 70646335 343517506 /nfs/dbraw/zinc/51/75/06/343517506.db2.gz DWMINJFOURYCBH-UHFFFAOYSA-N 0 0 190.250 1.038 10 0 ADAERN Cc1csc(NCc2ncc[nH]2)n1 70646539 343517537 /nfs/dbraw/zinc/51/75/37/343517537.db2.gz BZYQPIXPMZEABA-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CCO[C@H](C)c1nsc(N)n1 70648490 343517811 /nfs/dbraw/zinc/51/78/11/343517811.db2.gz VOHBCQYAJRUASP-SCSAIBSYSA-N 0 0 173.241 1.218 10 0 ADAERN CCO[C@@H](C)c1nsc(N)n1 70648489 343517882 /nfs/dbraw/zinc/51/78/82/343517882.db2.gz VOHBCQYAJRUASP-BYPYZUCNSA-N 0 0 173.241 1.218 10 0 ADAERN CCO[C@H](C)c1nccc(N)n1 70649368 343517933 /nfs/dbraw/zinc/51/79/33/343517933.db2.gz ICGNYSJBHZYSEC-ZCFIWIBFSA-N 0 0 167.212 1.156 10 0 ADAERN CCO[C@H](C)c1nccc(NC)n1 70649388 343517989 /nfs/dbraw/zinc/51/79/89/343517989.db2.gz AJMYGRFZKCZCQO-SSDOTTSWSA-N 0 0 181.239 1.616 10 0 ADAERN CCO[C@@H](C)c1nccc(N)n1 70649367 343518051 /nfs/dbraw/zinc/51/80/51/343518051.db2.gz ICGNYSJBHZYSEC-LURJTMIESA-N 0 0 167.212 1.156 10 0 ADAERN CCO[C@H](C)c1noc(NC)n1 70649416 343518080 /nfs/dbraw/zinc/51/80/80/343518080.db2.gz QCDQSWCWRPTSIB-RXMQYKEDSA-N 0 0 171.200 1.209 10 0 ADAERN CCO[C@@H](C)c1nc(C)cc(NC)n1 70649373 343518084 /nfs/dbraw/zinc/51/80/84/343518084.db2.gz FDYALCKTJKLGOE-QMMMGPOBSA-N 0 0 195.266 1.924 10 0 ADAERN CCO[C@H](C)c1nc(C)cc(NC)n1 70649374 343518086 /nfs/dbraw/zinc/51/80/86/343518086.db2.gz FDYALCKTJKLGOE-MRVPVSSYSA-N 0 0 195.266 1.924 10 0 ADAERN CCO[C@@H](C)c1nccc(NC)n1 70649387 343518107 /nfs/dbraw/zinc/51/81/07/343518107.db2.gz AJMYGRFZKCZCQO-ZETCQYMHSA-N 0 0 181.239 1.616 10 0 ADAERN CCO[C@@H](C)c1noc(NC)n1 70649415 343518115 /nfs/dbraw/zinc/51/81/15/343518115.db2.gz QCDQSWCWRPTSIB-YFKPBYRVSA-N 0 0 171.200 1.209 10 0 ADAERN O=C(c1ccoc1)C1CC1 70650892 343518858 /nfs/dbraw/zinc/51/88/58/343518858.db2.gz GOHIZDAFCBHLGJ-UHFFFAOYSA-N 0 0 136.150 1.872 10 0 ADAERN CCCc1nc(N)ns1 70651519 343519135 /nfs/dbraw/zinc/51/91/35/343519135.db2.gz BYXQQKKGDJXYTI-UHFFFAOYSA-N 0 0 143.215 1.073 10 0 ADAERN Cc1c[nH]c(-c2ccccn2)n1 70651356 343519327 /nfs/dbraw/zinc/51/93/27/343519327.db2.gz PXGVEDIZOANSJK-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN Cc1c[nH]c(-c2ncccn2)n1 70651370 343519434 /nfs/dbraw/zinc/51/94/34/343519434.db2.gz 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/nfs/dbraw/zinc/51/99/41/343519941.db2.gz PLNJNPANGHRDKT-ZETCQYMHSA-N 0 0 178.235 1.600 10 0 ADAERN C[C@H](O)CN1CC[C@@H](C)CCC1=O 70652696 343519948 /nfs/dbraw/zinc/51/99/48/343519948.db2.gz YEHMUWWXVIYWMT-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN Cc1c[nH]c(-c2ccoc2)n1 70653278 343519956 /nfs/dbraw/zinc/51/99/56/343519956.db2.gz NDEYGYWWVCRWET-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN C[NH+](C)C1(C(=O)[O-])CCC(C)(C)CC1 70654625 343520248 /nfs/dbraw/zinc/52/02/48/343520248.db2.gz RRSHLMRHBTXCBR-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN CC1(C)CCC2(CC1)CC(=O)NC2=O 70654469 343520294 /nfs/dbraw/zinc/52/02/94/343520294.db2.gz SPRPQXLVRMRJGR-UHFFFAOYSA-N 0 0 195.262 1.620 10 0 ADAERN CO[C@@H]1CC(C)(C)CC[C@@H]1O 70654893 343520310 /nfs/dbraw/zinc/52/03/10/343520310.db2.gz SUWDDLKCUSUHHR-JGVFFNPUSA-N 0 0 158.241 1.572 10 0 ADAERN CC1(C)CCC2(CC1)NC(=O)NC2=O 70654408 343520317 /nfs/dbraw/zinc/52/03/17/343520317.db2.gz MAUZYZKIEHMQNH-UHFFFAOYSA-N 0 0 196.250 1.165 10 0 ADAERN CC1(C)CC[C@H](O)[C@H](n2ccnc2)C1 70654845 343520319 /nfs/dbraw/zinc/52/03/19/343520319.db2.gz ZUEXKZSKUIOZRR-ZJUUUORDSA-N 0 0 194.278 1.995 10 0 ADAERN C[NH2+]C1(C(=O)[O-])CCC(C)(C)CC1 70654455 343520323 /nfs/dbraw/zinc/52/03/23/343520323.db2.gz GDBITFAGQUWFAO-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN CNC1(C(=O)OC)CCC(C)(C)CC1 70654463 343520336 /nfs/dbraw/zinc/52/03/36/343520336.db2.gz VJXAQLYRNVUHKW-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CO[C@@H]1CC(C)(C)CC[C@H]1O 70654894 343520346 /nfs/dbraw/zinc/52/03/46/343520346.db2.gz SUWDDLKCUSUHHR-HTQZYQBOSA-N 0 0 158.241 1.572 10 0 ADAERN CC1(C)CC[C@@H](O)[C@H](n2ccnc2)C1 70654846 343520377 /nfs/dbraw/zinc/52/03/77/343520377.db2.gz ZUEXKZSKUIOZRR-NXEZZACHSA-N 0 0 194.278 1.995 10 0 ADAERN CO[C@H]1CC(C)(C)CC[C@@H]1O 70654895 343520389 /nfs/dbraw/zinc/52/03/89/343520389.db2.gz SUWDDLKCUSUHHR-YUMQZZPRSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1noc(-c2ccncc2N)n1 70655508 343520694 /nfs/dbraw/zinc/52/06/94/343520694.db2.gz PEJJJINWQIESJV-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC[C@@](O)(COC)C(C)C 70657206 343520762 /nfs/dbraw/zinc/52/07/62/343520762.db2.gz NDEKVULSDOMMRB-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN CC1(C)CCc2nc(C=O)[nH]c2C1 70655033 343520800 /nfs/dbraw/zinc/52/08/00/343520800.db2.gz IRKGVWNYHWPRBC-UHFFFAOYSA-N 0 0 178.235 1.737 10 0 ADAERN Cc1nc(-c2ccc(Cl)cn2)n[nH]1 70657630 343520826 /nfs/dbraw/zinc/52/08/26/343520826.db2.gz GDGKPJNWPSSKMB-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN CC1(C)CCc2[nH]c(CO)nc2C1 70655034 343520943 /nfs/dbraw/zinc/52/09/43/343520943.db2.gz DCMULOLKNAAXBM-UHFFFAOYSA-N 0 0 180.251 1.417 10 0 ADAERN CC1(C)CCC(NC(N)=S)CC1 70655312 343521022 /nfs/dbraw/zinc/52/10/22/343521022.db2.gz LMYKWLSCBLZNEA-UHFFFAOYSA-N 0 0 186.324 1.788 10 0 ADAERN CC[C@](O)(COC)C(C)C 70657207 343521038 /nfs/dbraw/zinc/52/10/38/343521038.db2.gz NDEKVULSDOMMRB-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN NC(=S)[C@@H]1CCCN1CC(F)F 70662009 343521416 /nfs/dbraw/zinc/52/14/16/343521416.db2.gz OHYPHIWDQCLDER-YFKPBYRVSA-N 0 0 194.250 1.002 10 0 ADAERN CC/C(=C1/CC(=O)NC1=O)C(C)C 70675582 343523267 /nfs/dbraw/zinc/52/32/67/343523267.db2.gz MTCOCZYKIQDHRP-BQYQJAHWSA-N 0 0 181.235 1.396 10 0 ADAERN C/C(=C1\CC(=O)NC1=O)C(C)C 70675528 343523271 /nfs/dbraw/zinc/52/32/71/343523271.db2.gz DLMJZXQXEKJQMI-SREVYHEPSA-N 0 0 167.208 1.005 10 0 ADAERN Cc1nccn1-c1cccc(O)c1 70675371 343523275 /nfs/dbraw/zinc/52/32/75/343523275.db2.gz IGXFKKXJQUMKFH-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CCC/C(C)=C1/CC(=O)NC1=O 70675694 343523283 /nfs/dbraw/zinc/52/32/83/343523283.db2.gz QJSNAHYEHJISEA-SREVYHEPSA-N 0 0 167.208 1.150 10 0 ADAERN CC1CCC([C@@H]2CC(=O)NC2=O)CC1 70675959 343523313 /nfs/dbraw/zinc/52/33/13/343523313.db2.gz ZXZOYQJNIQUUBP-HACHORDNSA-N 0 0 195.262 1.475 10 0 ADAERN CC1CCC(=C2CC(=O)NC2=O)CC1 70675654 343523318 /nfs/dbraw/zinc/52/33/18/343523318.db2.gz BENVWMWQNOEWKK-UHFFFAOYSA-N 0 0 193.246 1.540 10 0 ADAERN C/C(=C1/CC(=O)NC1=O)C(C)(C)C 70675651 343523340 /nfs/dbraw/zinc/52/33/40/343523340.db2.gz PETDVUCYFGZBGX-VOTSOKGWSA-N 0 0 181.235 1.396 10 0 ADAERN C[C@H]([C@@H]1CC(=O)NC1=O)C(C)(C)C 70675964 343523342 /nfs/dbraw/zinc/52/33/42/343523342.db2.gz PVPZCVGBWXPUNI-RQJHMYQMSA-N 0 0 183.251 1.331 10 0 ADAERN CC[C@@H](C)/C=C1/CC(=O)NC1=O 70675717 343523369 /nfs/dbraw/zinc/52/33/69/343523369.db2.gz KODOQYVVSDJPDE-CDXJMXTPSA-N 0 0 167.208 1.005 10 0 ADAERN Cc1nc(C)n(-c2cccc(O)c2)n1 70675457 343523396 /nfs/dbraw/zinc/52/33/96/343523396.db2.gz SKMLLPVNSSIFTF-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN CC(C)(C)/C=C1/CC(=O)NC1=O 70675938 343523404 /nfs/dbraw/zinc/52/34/04/343523404.db2.gz JWVZLONLFHGACR-WAYWQWQTSA-N 0 0 167.208 1.005 10 0 ADAERN Cc1ccn(-c2cccc(O)c2)n1 70675396 343523408 /nfs/dbraw/zinc/52/34/08/343523408.db2.gz BBGAJRJJUHBTNI-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN C[C@@H]([C@@H]1CC(=O)NC1=O)C(C)(C)C 70675962 343523435 /nfs/dbraw/zinc/52/34/35/343523435.db2.gz PVPZCVGBWXPUNI-BQBZGAKWSA-N 0 0 183.251 1.331 10 0 ADAERN Cc1nc(C)n(-c2ccccc2O)n1 70675453 343523464 /nfs/dbraw/zinc/52/34/64/343523464.db2.gz PIKNDTFHBAYBHI-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN CCC(CC)=C1CC(=O)NC1=O 70675591 343523473 /nfs/dbraw/zinc/52/34/73/343523473.db2.gz SUVVQHOREZIVNM-UHFFFAOYSA-N 0 0 167.208 1.150 10 0 ADAERN CC[C@H](C)/C=C1/CC(=O)NC1=O 70675721 343523498 /nfs/dbraw/zinc/52/34/98/343523498.db2.gz KODOQYVVSDJPDE-BBEKVSQQSA-N 0 0 167.208 1.005 10 0 ADAERN Cc1ccn(-c2ccccc2O)n1 70675391 343523500 /nfs/dbraw/zinc/52/35/00/343523500.db2.gz YSAACJNGJBVKKY-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CC[C@H](C)/C(C)=C1/CC(=O)NC1=O 70675736 343523505 /nfs/dbraw/zinc/52/35/05/343523505.db2.gz PGNDZFITUBQLDE-WXIAHEHCSA-N 0 0 181.235 1.396 10 0 ADAERN C/C(CC(C)C)=C1\CC(=O)NC1=O 70675524 343523509 /nfs/dbraw/zinc/52/35/09/343523509.db2.gz YQSWMGKAMUBGSS-FPLPWBNLSA-N 0 0 181.235 1.396 10 0 ADAERN O=C1C[C@@H](CC2CCCC2)C(=O)N1 70676019 343523514 /nfs/dbraw/zinc/52/35/14/343523514.db2.gz JUZGEUNBRMYVDG-MRVPVSSYSA-N 0 0 181.235 1.229 10 0 ADAERN O=C1C/C(=C/c2ccsc2)C(=O)N1 70675711 343523519 /nfs/dbraw/zinc/52/35/19/343523519.db2.gz ZUJBZNUQLAOOLW-CLTKARDFSA-N 0 0 193.227 1.178 10 0 ADAERN Cc1nccn1-c1ccccc1O 70675368 343523532 /nfs/dbraw/zinc/52/35/32/343523532.db2.gz RRMQHCRSYHHNKG-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CC[C@@H](C)/C(C)=C1/CC(=O)NC1=O 70675733 343523548 /nfs/dbraw/zinc/52/35/48/343523548.db2.gz PGNDZFITUBQLDE-VALLEEFXSA-N 0 0 181.235 1.396 10 0 ADAERN O=C1CC(=C2CCCCCC2)C(=O)N1 70675642 343523559 /nfs/dbraw/zinc/52/35/59/343523559.db2.gz WNSQDRGHBHWXEZ-UHFFFAOYSA-N 0 0 193.246 1.684 10 0 ADAERN O=C1CC(=C2CCCCC2)C(=O)N1 70675644 343523581 /nfs/dbraw/zinc/52/35/81/343523581.db2.gz FFYVILHUZSAABU-UHFFFAOYSA-N 0 0 179.219 1.294 10 0 ADAERN O=C1C/C(=C/C2CCCC2)C(=O)N1 70675925 343523584 /nfs/dbraw/zinc/52/35/84/343523584.db2.gz GUXYJMCCLVSOCY-YVMONPNESA-N 0 0 179.219 1.150 10 0 ADAERN CC[C@H](C(C)C)[C@@H]1CC(=O)NC1=O 70676510 343523733 /nfs/dbraw/zinc/52/37/33/343523733.db2.gz QJKZEDKWSBJISN-SFYZADRCSA-N 0 0 183.251 1.331 10 0 ADAERN O=C1C[C@@H](C2CCCCCC2)C(=O)N1 70676515 343523768 /nfs/dbraw/zinc/52/37/68/343523768.db2.gz KPOWJCFZTVJXKQ-VIFPVBQESA-N 0 0 195.262 1.620 10 0 ADAERN CC(C)C[C@@H](C)[C@@H]1CC(=O)NC1=O 70676524 343523773 /nfs/dbraw/zinc/52/37/73/343523773.db2.gz VGWXUMLTPSTMKK-SFYZADRCSA-N 0 0 183.251 1.331 10 0 ADAERN CC[C@H](C)[C@@H](C)[C@@H]1CC(=O)NC1=O 70676204 343523825 /nfs/dbraw/zinc/52/38/25/343523825.db2.gz KAJSDBSVFGCTQO-RNJXMRFFSA-N 0 0 183.251 1.331 10 0 ADAERN CC[C@H](C)C[C@@H]1CC(=O)NC1=O 70676096 343523832 /nfs/dbraw/zinc/52/38/32/343523832.db2.gz YAVUEJOHGUMQFJ-NKWVEPMBSA-N 0 0 169.224 1.085 10 0 ADAERN CC[C@@H](C(C)C)[C@@H]1CC(=O)NC1=O 70676512 343523881 /nfs/dbraw/zinc/52/38/81/343523881.db2.gz QJKZEDKWSBJISN-YUMQZZPRSA-N 0 0 183.251 1.331 10 0 ADAERN CC[C@H](C)[C@H](C)[C@@H]1CC(=O)NC1=O 70676209 343524005 /nfs/dbraw/zinc/52/40/05/343524005.db2.gz KAJSDBSVFGCTQO-FXQIFTODSA-N 0 0 183.251 1.331 10 0 ADAERN CC1(C)CCC[C@@]2(CC(=O)NC2=O)C1 70682705 343524394 /nfs/dbraw/zinc/52/43/94/343524394.db2.gz CHEJHVFMIAXTPK-LLVKDONJSA-N 0 0 195.262 1.620 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCCC(C)(C)C1 70683843 343524428 /nfs/dbraw/zinc/52/44/28/343524428.db2.gz ITIQORPMLKSULM-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN CC1(C)CCC[C@]2(CC(=O)NC2=O)C1 70682703 343524437 /nfs/dbraw/zinc/52/44/37/343524437.db2.gz CHEJHVFMIAXTPK-NSHDSACASA-N 0 0 195.262 1.620 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCCC(C)(C)C1 70683846 343524469 /nfs/dbraw/zinc/52/44/69/343524469.db2.gz ITIQORPMLKSULM-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN Cc1ccn(CC(=O)c2ccco2)n1 70685677 343524616 /nfs/dbraw/zinc/52/46/16/343524616.db2.gz ZXNPUASMXQFJQN-UHFFFAOYSA-N 0 0 190.202 1.667 10 0 ADAERN CCC(=O)Cn1ccc(C)n1 70685697 343524569 /nfs/dbraw/zinc/52/45/69/343524569.db2.gz TUAUUKDJVQMBKE-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN Cc1ccn([C@H](C)C(N)=S)n1 70685366 343524584 /nfs/dbraw/zinc/52/45/84/343524584.db2.gz PHPFMBLSUBGNBS-ZCFIWIBFSA-N 0 0 169.253 1.039 10 0 ADAERN Cc1ccn(C[C@@H](O)C(F)(F)F)n1 70685868 343524586 /nfs/dbraw/zinc/52/45/86/343524586.db2.gz JIWUSAWTLRHYRA-ZCFIWIBFSA-N 0 0 194.156 1.115 10 0 ADAERN CC(=O)CCn1ccc(C)n1 70685581 343524604 /nfs/dbraw/zinc/52/46/04/343524604.db2.gz FOCUOGMHGLYIGX-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN Cc1ccn(C[C@H](O)C(F)(F)F)n1 70685866 343524612 /nfs/dbraw/zinc/52/46/12/343524612.db2.gz JIWUSAWTLRHYRA-LURJTMIESA-N 0 0 194.156 1.115 10 0 ADAERN CC[C@@H](C(N)=S)n1ccc(C)n1 70685358 343524624 /nfs/dbraw/zinc/52/46/24/343524624.db2.gz GMTCLRBIZDCSQZ-ZETCQYMHSA-N 0 0 183.280 1.429 10 0 ADAERN Cc1ccnn1CC(=O)C1CC1 70685766 343524629 /nfs/dbraw/zinc/52/46/29/343524629.db2.gz MYFJAXROGGTUKJ-UHFFFAOYSA-N 0 0 164.208 1.171 10 0 ADAERN Cc1ccn([C@H](C)CC(N)=S)n1 70685372 343524644 /nfs/dbraw/zinc/52/46/44/343524644.db2.gz VMORWMVEFGJVPE-SSDOTTSWSA-N 0 0 183.280 1.429 10 0 ADAERN Cc1ccn(CC(=O)C(C)(C)C)n1 70685646 343524651 /nfs/dbraw/zinc/52/46/51/343524651.db2.gz VZHGLOCXBKLXLT-UHFFFAOYSA-N 0 0 180.251 1.807 10 0 ADAERN CC(=O)[C@H](C)n1ccc(C)n1 70685611 343524655 /nfs/dbraw/zinc/52/46/55/343524655.db2.gz LZYUTOGXVRUBPU-ZETCQYMHSA-N 0 0 152.197 1.342 10 0 ADAERN CC(=O)CCn1nccc1C 70685711 343524670 /nfs/dbraw/zinc/52/46/70/343524670.db2.gz BLVDAIJSGAJPNA-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN Cc1ccn([C@@H](C)CC(N)=S)n1 70685369 343524674 /nfs/dbraw/zinc/52/46/74/343524674.db2.gz VMORWMVEFGJVPE-ZETCQYMHSA-N 0 0 183.280 1.429 10 0 ADAERN COC(=O)C[C@H](C)n1ccc(C)n1 70684988 343524683 /nfs/dbraw/zinc/52/46/83/343524683.db2.gz PKTFEGARNYQPBD-QMMMGPOBSA-N 0 0 182.223 1.316 10 0 ADAERN CC[C@H](C(N)=S)n1ccc(C)n1 70685361 343524696 /nfs/dbraw/zinc/52/46/96/343524696.db2.gz GMTCLRBIZDCSQZ-SSDOTTSWSA-N 0 0 183.280 1.429 10 0 ADAERN Cc1ccnn1CC(=O)C(C)(C)C 70685761 343524699 /nfs/dbraw/zinc/52/46/99/343524699.db2.gz UPPXDKKBAMKHEB-UHFFFAOYSA-N 0 0 180.251 1.807 10 0 ADAERN CCOC(=O)C[C@@H](C)n1ccc(C)n1 70685051 343524716 /nfs/dbraw/zinc/52/47/16/343524716.db2.gz XBFXUWPBWLUVDA-SECBINFHSA-N 0 0 196.250 1.706 10 0 ADAERN COC(=O)C[C@@H](C)n1ccc(C)n1 70684993 343524723 /nfs/dbraw/zinc/52/47/23/343524723.db2.gz PKTFEGARNYQPBD-MRVPVSSYSA-N 0 0 182.223 1.316 10 0 ADAERN Cc1ccn([C@@H](C)C(N)=S)n1 70685363 343524756 /nfs/dbraw/zinc/52/47/56/343524756.db2.gz PHPFMBLSUBGNBS-LURJTMIESA-N 0 0 169.253 1.039 10 0 ADAERN CC(=O)[C@@H](C)n1ccc(C)n1 70685614 343524780 /nfs/dbraw/zinc/52/47/80/343524780.db2.gz LZYUTOGXVRUBPU-SSDOTTSWSA-N 0 0 152.197 1.342 10 0 ADAERN Cc1ccnn1CC(=O)c1ccco1 70685782 343524809 /nfs/dbraw/zinc/52/48/09/343524809.db2.gz RWEHXCKQJNTYIH-UHFFFAOYSA-N 0 0 190.202 1.667 10 0 ADAERN CCC(=O)Cn1nccc1C 70685797 343524817 /nfs/dbraw/zinc/52/48/17/343524817.db2.gz ZFKLBBFAOOMRNE-UHFFFAOYSA-N 0 0 152.197 1.171 10 0 ADAERN Cc1ccn([C@H]2CCCC[C@@H]2O)n1 70685882 343524828 /nfs/dbraw/zinc/52/48/28/343524828.db2.gz ISTSBVHVABFBAK-UWVGGRQHSA-N 0 0 180.251 1.668 10 0 ADAERN CCOC(=O)C[C@H](C)n1ccc(C)n1 70685054 343524837 /nfs/dbraw/zinc/52/48/37/343524837.db2.gz XBFXUWPBWLUVDA-VIFPVBQESA-N 0 0 196.250 1.706 10 0 ADAERN Cc1ccn(C[C@@H](O)C(C)(C)C)n1 70686156 343525083 /nfs/dbraw/zinc/52/50/83/343525083.db2.gz SOQNQJSSQJSRGC-SECBINFHSA-N 0 0 182.267 1.599 10 0 ADAERN Cc1ccn(CCn2cccn2)n1 70687834 343525074 /nfs/dbraw/zinc/52/50/74/343525074.db2.gz PUEQCNXUWYTOAT-UHFFFAOYSA-N 0 0 176.223 1.088 10 0 ADAERN Cc1ccn(Cc2cc(C)on2)n1 70688076 343525077 /nfs/dbraw/zinc/52/50/77/343525077.db2.gz NBFJVFLIWWMBFN-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN CC[C@@H](O)[C@H](C)n1ccc(C)n1 70686220 343525117 /nfs/dbraw/zinc/52/51/17/343525117.db2.gz YAZBVKGJRWAZTL-DTWKUNHWSA-N 0 0 168.240 1.523 10 0 ADAERN CC[C@H](O)[C@@H](C)n1ccc(C)n1 70686213 343525122 /nfs/dbraw/zinc/52/51/22/343525122.db2.gz YAZBVKGJRWAZTL-BDAKNGLRSA-N 0 0 168.240 1.523 10 0 ADAERN Cc1ccn([C@H]2CCCCNC2=O)n1 70687625 343525126 /nfs/dbraw/zinc/52/51/26/343525126.db2.gz MHAWTEHBNGJADF-VIFPVBQESA-N 0 0 193.250 1.033 10 0 ADAERN Cc1ccn([C@H]2CCOC2)n1 70687853 343525135 /nfs/dbraw/zinc/52/51/35/343525135.db2.gz KWYBRPGZPGGOCM-QMMMGPOBSA-N 0 0 152.197 1.153 10 0 ADAERN Cc1ccn(C[C@H](O)C(C)(C)C)n1 70686152 343525142 /nfs/dbraw/zinc/52/51/42/343525142.db2.gz SOQNQJSSQJSRGC-VIFPVBQESA-N 0 0 182.267 1.599 10 0 ADAERN Cc1ccn([C@@H]2CCOC2)n1 70687849 343525162 /nfs/dbraw/zinc/52/51/62/343525162.db2.gz KWYBRPGZPGGOCM-MRVPVSSYSA-N 0 0 152.197 1.153 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1ccc(C)n1 70686215 343525164 /nfs/dbraw/zinc/52/51/64/343525164.db2.gz YAZBVKGJRWAZTL-RKDXNWHRSA-N 0 0 168.240 1.523 10 0 ADAERN Cc1ccn(Cc2ccno2)n1 70687870 343525172 /nfs/dbraw/zinc/52/51/72/343525172.db2.gz FICOJOLBUUXSKV-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN Cc1cc(Cn2ccc(C)n2)on1 70688086 343525175 /nfs/dbraw/zinc/52/51/75/343525175.db2.gz UQCMDHSQXWAFLG-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN CCn1ccnc1Cn1ccc(C)n1 70687830 343525178 /nfs/dbraw/zinc/52/51/78/343525178.db2.gz RHSZUTKBKBGQPY-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN Cc1ccn(C[C@H]2CCCCO2)n1 70687923 343525185 /nfs/dbraw/zinc/52/51/85/343525185.db2.gz WNHQNBRAIFHIML-SNVBAGLBSA-N 0 0 180.251 1.761 10 0 ADAERN Cc1ccn(C[C@H]2CCOC2)n1 70687916 343525204 /nfs/dbraw/zinc/52/52/04/343525204.db2.gz DOCPXADRZOBWSL-SECBINFHSA-N 0 0 166.224 1.228 10 0 ADAERN Cc1ccnn1C[C@H](O)C(C)(C)C 70686257 343525207 /nfs/dbraw/zinc/52/52/07/343525207.db2.gz LEJDTHMRWXHSHX-VIFPVBQESA-N 0 0 182.267 1.599 10 0 ADAERN Cc1ccn(Cc2ccco2)n1 70687762 343525209 /nfs/dbraw/zinc/52/52/09/343525209.db2.gz NWSRWAAPJSWMQB-UHFFFAOYSA-N 0 0 162.192 1.833 10 0 ADAERN Cc1ccn(C[C@H]2CCCO2)n1 70687641 343525215 /nfs/dbraw/zinc/52/52/15/343525215.db2.gz CQVVNTCYLNBMET-SECBINFHSA-N 0 0 166.224 1.371 10 0 ADAERN Cc1ccn([C@@H]2CCCCNC2=O)n1 70687623 343525230 /nfs/dbraw/zinc/52/52/30/343525230.db2.gz MHAWTEHBNGJADF-SECBINFHSA-N 0 0 193.250 1.033 10 0 ADAERN Cc1ccn(Cc2ccncc2)n1 70687954 343525252 /nfs/dbraw/zinc/52/52/52/343525252.db2.gz BZUTZJWRJHWADN-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN COC[C@H](C)n1ccc(C)n1 70687717 343525260 /nfs/dbraw/zinc/52/52/60/343525260.db2.gz BAYPJBIKNMHFSJ-QMMMGPOBSA-N 0 0 154.213 1.399 10 0 ADAERN Cc1ccn(C[C@@H]2CCCO2)n1 70687639 343525264 /nfs/dbraw/zinc/52/52/64/343525264.db2.gz CQVVNTCYLNBMET-VIFPVBQESA-N 0 0 166.224 1.371 10 0 ADAERN Cc1ccn(CCn2ccnc2C)n1 70687844 343525276 /nfs/dbraw/zinc/52/52/76/343525276.db2.gz HAWLFXPUQFUFED-UHFFFAOYSA-N 0 0 190.250 1.397 10 0 ADAERN Cc1ccn(CC2CCOCC2)n1 70687898 343525287 /nfs/dbraw/zinc/52/52/87/343525287.db2.gz AMSNDPJTPBPFHO-UHFFFAOYSA-N 0 0 180.251 1.618 10 0 ADAERN Cc1ccn(C[C@@H]2CCOC2)n1 70687913 343525302 /nfs/dbraw/zinc/52/53/02/343525302.db2.gz DOCPXADRZOBWSL-VIFPVBQESA-N 0 0 166.224 1.228 10 0 ADAERN Cc1ccn(Cc2cccnc2)n1 70687734 343525322 /nfs/dbraw/zinc/52/53/22/343525322.db2.gz CLKXCMFAXCXRMM-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN Cc1ccn(CCc2ccncc2)n1 70687763 343525338 /nfs/dbraw/zinc/52/53/38/343525338.db2.gz JGDGTPFAZOPGOD-UHFFFAOYSA-N 0 0 187.246 1.829 10 0 ADAERN Cc1ccn(-c2ccnc(C)n2)n1 70688522 343525543 /nfs/dbraw/zinc/52/55/43/343525543.db2.gz ZCFTWXSLAJPNLG-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN Cc1nn(C[C@@H]2CO2)cc1Cl 70689241 343525560 /nfs/dbraw/zinc/52/55/60/343525560.db2.gz SEPPXCCEJMJMPQ-ZCFIWIBFSA-N 0 0 172.615 1.244 10 0 ADAERN Cc1ccn(CCc2cccnc2)n1 70688095 343525561 /nfs/dbraw/zinc/52/55/61/343525561.db2.gz NIHWYCNBPKCKRK-UHFFFAOYSA-N 0 0 187.246 1.829 10 0 ADAERN CCn1ccnc1-n1ccc(C)n1 70688487 343525564 /nfs/dbraw/zinc/52/55/64/343525564.db2.gz ZZVPJRRMTNCRGD-UHFFFAOYSA-N 0 0 176.223 1.397 10 0 ADAERN Cc1nn(C[C@H]2CO2)cc1Cl 70689243 343525569 /nfs/dbraw/zinc/52/55/69/343525569.db2.gz SEPPXCCEJMJMPQ-LURJTMIESA-N 0 0 172.615 1.244 10 0 ADAERN Cc1nc(Cn2nccc2C)oc1C 70688342 343525572 /nfs/dbraw/zinc/52/55/72/343525572.db2.gz USRGAYLFEQURMN-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN Cc1ccnn1C[C@@H]1CCCCO1 70688305 343525573 /nfs/dbraw/zinc/52/55/73/343525573.db2.gz HMXJSILEVLSRNQ-JTQLQIEISA-N 0 0 180.251 1.761 10 0 ADAERN Cc1ccn(-c2nccs2)n1 70688507 343525576 /nfs/dbraw/zinc/52/55/76/343525576.db2.gz DMDPIHFHSKFJKG-UHFFFAOYSA-N 0 0 165.221 1.637 10 0 ADAERN Cc1ccnn1Cc1cscn1 70688327 343525587 /nfs/dbraw/zinc/52/55/87/343525587.db2.gz JLQAAZRZSBTLCY-UHFFFAOYSA-N 0 0 179.248 1.696 10 0 ADAERN Cc1ccnc(-n2ccc(C)n2)c1 70688465 343525594 /nfs/dbraw/zinc/52/55/94/343525594.db2.gz HCPMAASXWAVVQS-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN COC(=O)Cn1cc(Cl)c(C)n1 70688876 343525597 /nfs/dbraw/zinc/52/55/97/343525597.db2.gz HXVUJSOSVPKEPT-UHFFFAOYSA-N 0 0 188.614 1.018 10 0 ADAERN Cc1ccnn1CCc1ccccn1 70688402 343525599 /nfs/dbraw/zinc/52/55/99/343525599.db2.gz RXOGZAXSNSXVGV-UHFFFAOYSA-N 0 0 187.246 1.829 10 0 ADAERN CCc1nc(Cn2nccc2C)no1 70688441 343525602 /nfs/dbraw/zinc/52/56/02/343525602.db2.gz VUVWOSLZZICBQX-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN Cc1nn(CC(N)=S)cc1Cl 70689391 343525606 /nfs/dbraw/zinc/52/56/06/343525606.db2.gz XSUNKCLTUBBWME-UHFFFAOYSA-N 0 0 189.671 1.131 10 0 ADAERN Cc1ccnn1C[C@H]1CCCCO1 70688309 343525614 /nfs/dbraw/zinc/52/56/14/343525614.db2.gz HMXJSILEVLSRNQ-SNVBAGLBSA-N 0 0 180.251 1.761 10 0 ADAERN Cc1ccc(-n2ccc(C)n2)nc1 70688516 343525616 /nfs/dbraw/zinc/52/56/16/343525616.db2.gz BWWIHEDTIVHLDS-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CCn1cc(Cn2nccc2C)cn1 70688225 343525619 /nfs/dbraw/zinc/52/56/19/343525619.db2.gz RQRVQSMUFMGVPA-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN CCc1nc(Cn2ccc(C)n2)no1 70688184 343525622 /nfs/dbraw/zinc/52/56/22/343525622.db2.gz JCMXBHUJXGSGAL-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN COC(=O)Cn1ncc(Cl)c1C 70688985 343525624 /nfs/dbraw/zinc/52/56/24/343525624.db2.gz WNVMMDSPHDINJN-UHFFFAOYSA-N 0 0 188.614 1.018 10 0 ADAERN Cc1ccn(-c2ncccc2C)n1 70688461 343525629 /nfs/dbraw/zinc/52/56/29/343525629.db2.gz JIAZFNJIKYWCRI-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN Cc1ccn(-c2ccccn2)n1 70688485 343525632 /nfs/dbraw/zinc/52/56/32/343525632.db2.gz IFUCYZDWJZBOPB-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN Cc1cc(Cn2nccc2C)on1 70688400 343525640 /nfs/dbraw/zinc/52/56/40/343525640.db2.gz FLQJLLUPAJINQP-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN Cc1ccc(-n2ccc(C)n2)nn1 70688500 343525642 /nfs/dbraw/zinc/52/56/42/343525642.db2.gz BRXIGPDZJWCGIO-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN Cc1noc(C)c1Cn1nccc1C 70688322 343525654 /nfs/dbraw/zinc/52/56/54/343525654.db2.gz SCJROOMUGPDIGR-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN Cc1c(Cl)cnn1C[C@H]1CO1 70689248 343525665 /nfs/dbraw/zinc/52/56/65/343525665.db2.gz RZUWVMDJUSHFOF-LURJTMIESA-N 0 0 172.615 1.244 10 0 ADAERN CCc1cc(-n2ccc(C)n2)ncn1 70688463 343525671 /nfs/dbraw/zinc/52/56/71/343525671.db2.gz WPUZANBEVPIXEJ-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN Cc1cc(Cn2nccc2C)no1 70688393 343525684 /nfs/dbraw/zinc/52/56/84/343525684.db2.gz QEOPLCBBBCEOIL-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN Cc1ccn(Cc2ncccn2)n1 70688182 343525691 /nfs/dbraw/zinc/52/56/91/343525691.db2.gz YAQWZYQWHCSDKZ-UHFFFAOYSA-N 0 0 174.207 1.030 10 0 ADAERN Cc1cc(-n2ccc(C)n2)nc(C)n1 70688467 343525695 /nfs/dbraw/zinc/52/56/95/343525695.db2.gz HCDSLMHBNXBNLG-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN Cc1c(Cl)cnn1C[C@@H]1CO1 70689245 343525699 /nfs/dbraw/zinc/52/56/99/343525699.db2.gz RZUWVMDJUSHFOF-ZCFIWIBFSA-N 0 0 172.615 1.244 10 0 ADAERN Cc1ccnn1Cc1ccno1 70688296 343525712 /nfs/dbraw/zinc/52/57/12/343525712.db2.gz HGGADBIEULXRKH-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN Cc1ccn(CCc2ccccn2)n1 70688091 343525717 /nfs/dbraw/zinc/52/57/17/343525717.db2.gz ULTSERLDJNOOOM-UHFFFAOYSA-N 0 0 187.246 1.829 10 0 ADAERN Cc1cc(-n2ccc(C)n2)ncn1 70688474 343525721 /nfs/dbraw/zinc/52/57/21/343525721.db2.gz YOLFNDNWHAPKJL-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN Cc1ccn(-c2nncs2)n1 70688469 343525728 /nfs/dbraw/zinc/52/57/28/343525728.db2.gz ZILMNNBGBWWGHS-UHFFFAOYSA-N 0 0 166.209 1.032 10 0 ADAERN Cc1csc(-n2ccc(C)n2)n1 70688456 343525734 /nfs/dbraw/zinc/52/57/34/343525734.db2.gz FDIJTJDLBXLQMV-UHFFFAOYSA-N 0 0 179.248 1.946 10 0 ADAERN Cc1ccn(-c2ccc(F)cn2)n1 70688496 343525736 /nfs/dbraw/zinc/52/57/36/343525736.db2.gz OSRRIEMATLWIDH-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN Cc1nn(C[C@@H](C)O)cc1Cl 70704055 343525964 /nfs/dbraw/zinc/52/59/64/343525964.db2.gz UYDKMJJSXOGWHO-RXMQYKEDSA-N 0 0 174.631 1.226 10 0 ADAERN Cc1nn(C[C@H](C)O)cc1Cl 70704056 343525988 /nfs/dbraw/zinc/52/59/88/343525988.db2.gz UYDKMJJSXOGWHO-YFKPBYRVSA-N 0 0 174.631 1.226 10 0 ADAERN CC(=O)Cn1cc(Cl)c(C)n1 70703929 343525993 /nfs/dbraw/zinc/52/59/93/343525993.db2.gz MTUMFYKIRPHBLB-UHFFFAOYSA-N 0 0 172.615 1.434 10 0 ADAERN CC[C@H](O)Cn1cc(Cl)c(C)n1 70704015 343525994 /nfs/dbraw/zinc/52/59/94/343525994.db2.gz YGGZFYBKGFQRMV-ZETCQYMHSA-N 0 0 188.658 1.616 10 0 ADAERN O[C@@]1(CCC(F)(F)F)CCOC1 70917034 343541796 /nfs/dbraw/zinc/54/17/96/343541796.db2.gz ZNDSZPMXDDMPAK-LURJTMIESA-N 0 0 184.157 1.480 10 0 ADAERN Cc1c(Cl)cnn1CC(N)=S 70689412 343526048 /nfs/dbraw/zinc/52/60/48/343526048.db2.gz MLQUBOYYDPFHKK-UHFFFAOYSA-N 0 0 189.671 1.131 10 0 ADAERN Cc1n[nH]cc1-c1nnc(C2CC2)[nH]1 70705884 343526055 /nfs/dbraw/zinc/52/60/55/343526055.db2.gz DSWQKGOWTBPUTI-UHFFFAOYSA-N 0 0 189.222 1.381 10 0 ADAERN Cc1c(Cl)cnn1C[C@@H](C)O 70704067 343526088 /nfs/dbraw/zinc/52/60/88/343526088.db2.gz TYCXVVXACJXYDT-RXMQYKEDSA-N 0 0 174.631 1.226 10 0 ADAERN Cc1nn(CC(C)(C)O)cc1Cl 70704019 343526094 /nfs/dbraw/zinc/52/60/94/343526094.db2.gz KHBJIAXRIBZVFF-UHFFFAOYSA-N 0 0 188.658 1.616 10 0 ADAERN CC(=O)CCn1cc(Cl)c(C)n1 70703901 343526119 /nfs/dbraw/zinc/52/61/19/343526119.db2.gz ZZAXURNPCCQANL-UHFFFAOYSA-N 0 0 186.642 1.824 10 0 ADAERN CC(=O)[C@@H](C)n1cc(Cl)c(C)n1 70703917 343526126 /nfs/dbraw/zinc/52/61/26/343526126.db2.gz ASZHBCIPDIBETP-ZCFIWIBFSA-N 0 0 186.642 1.995 10 0 ADAERN CC(=O)Cn1ncc(Cl)c1C 70703962 343526133 /nfs/dbraw/zinc/52/61/33/343526133.db2.gz GBPXLUKTIWRWTA-UHFFFAOYSA-N 0 0 172.615 1.434 10 0 ADAERN CC[C@@H](O)Cn1cc(Cl)c(C)n1 70704016 343526136 /nfs/dbraw/zinc/52/61/36/343526136.db2.gz YGGZFYBKGFQRMV-SSDOTTSWSA-N 0 0 188.658 1.616 10 0 ADAERN CCc1nc(-c2c[nH]nc2C)n[nH]1 70705877 343526155 /nfs/dbraw/zinc/52/61/55/343526155.db2.gz PESSIDJUROQPFP-UHFFFAOYSA-N 0 0 177.211 1.066 10 0 ADAERN CCCc1nc(-c2c[nH]nc2C)n[nH]1 70705880 343526161 /nfs/dbraw/zinc/52/61/61/343526161.db2.gz HNJWBMMYGSRLOX-UHFFFAOYSA-N 0 0 191.238 1.456 10 0 ADAERN CC(=O)[C@H](C)n1cc(Cl)c(C)n1 70703915 343526179 /nfs/dbraw/zinc/52/61/79/343526179.db2.gz ASZHBCIPDIBETP-LURJTMIESA-N 0 0 186.642 1.995 10 0 ADAERN Cc1nn(CC(=O)C2CC2)cc1Cl 70703925 343526235 /nfs/dbraw/zinc/52/62/35/343526235.db2.gz HLROXNLNEIPHJF-UHFFFAOYSA-N 0 0 198.653 1.824 10 0 ADAERN Cc1ccnc([C@H](O)C2CC2)c1 70735974 343527114 /nfs/dbraw/zinc/52/71/14/343527114.db2.gz JLBRRXOYUGIARO-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN Nc1ncccc1[C@H]1CCCC(=O)C1 70737787 343527122 /nfs/dbraw/zinc/52/71/22/343527122.db2.gz JJNFTUCNMAGCLL-QMMMGPOBSA-N 0 0 190.246 1.891 10 0 ADAERN Cc1cccc(C(=O)C2CC2)n1 70735830 343527133 /nfs/dbraw/zinc/52/71/33/343527133.db2.gz WDFOMMNHPADPFC-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN Nc1ncccc1[C@@H]1CCCC(=O)C1 70737783 343527135 /nfs/dbraw/zinc/52/71/35/343527135.db2.gz JJNFTUCNMAGCLL-MRVPVSSYSA-N 0 0 190.246 1.891 10 0 ADAERN Cn1cc(C[C@H]2CCCC(=O)C2)cn1 70737804 343527143 /nfs/dbraw/zinc/52/71/43/343527143.db2.gz QFGDAYCXIBEMLP-SECBINFHSA-N 0 0 192.262 1.722 10 0 ADAERN CC[C@H](C)[C@@H](O)C1CC1 70735972 343527150 /nfs/dbraw/zinc/52/71/50/343527150.db2.gz HWSBYHZZLHJWQH-POYBYMJQSA-N 0 0 128.215 1.803 10 0 ADAERN O=C1CCC[C@@H](c2cncnc2)C1 70737522 343527153 /nfs/dbraw/zinc/52/71/53/343527153.db2.gz JBPNGOOPFVXSJF-MRVPVSSYSA-N 0 0 176.219 1.703 10 0 ADAERN O[C@@H](Cc1cccnc1)C1CC1 70735900 343527162 /nfs/dbraw/zinc/52/71/62/343527162.db2.gz HFXGMFOLEGFFCI-JTQLQIEISA-N 0 0 163.220 1.395 10 0 ADAERN O[C@H](Cc1cccnc1)C1CC1 70735901 343527177 /nfs/dbraw/zinc/52/71/77/343527177.db2.gz HFXGMFOLEGFFCI-SNVBAGLBSA-N 0 0 163.220 1.395 10 0 ADAERN CC[C@H](C)[C@H](O)C1CC1 70735969 343527180 /nfs/dbraw/zinc/52/71/80/343527180.db2.gz HWSBYHZZLHJWQH-XPUUQOCRSA-N 0 0 128.215 1.803 10 0 ADAERN O=C1CCC[C@@H](c2cnccn2)C1 70737986 343527195 /nfs/dbraw/zinc/52/71/95/343527195.db2.gz LJWDNHRQWZZDNO-MRVPVSSYSA-N 0 0 176.219 1.703 10 0 ADAERN Cn1cc(C[C@@H]2CCCC(=O)C2)cn1 70737803 343527210 /nfs/dbraw/zinc/52/72/10/343527210.db2.gz QFGDAYCXIBEMLP-VIFPVBQESA-N 0 0 192.262 1.722 10 0 ADAERN Cc1cccc([C@@H](O)C2CC2)n1 70735965 343527238 /nfs/dbraw/zinc/52/72/38/343527238.db2.gz RLYWNJYDKRYWNZ-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN Cc1nc(C[C@H](O)C2CC2)cs1 70735916 343527248 /nfs/dbraw/zinc/52/72/48/343527248.db2.gz UPPXIAGJUZIAJQ-VIFPVBQESA-N 0 0 183.276 1.765 10 0 ADAERN Cc1nc(C[C@@H](O)C2CC2)cs1 70735918 343527278 /nfs/dbraw/zinc/52/72/78/343527278.db2.gz UPPXIAGJUZIAJQ-SECBINFHSA-N 0 0 183.276 1.765 10 0 ADAERN Cc1ccnc([C@@H](O)C2CC2)c1 70735975 343527292 /nfs/dbraw/zinc/52/72/92/343527292.db2.gz JLBRRXOYUGIARO-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN Cc1cccnc1[C@@H](O)C1CC1 70735899 343527357 /nfs/dbraw/zinc/52/73/57/343527357.db2.gz SHUPOZXYUIOLJP-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN CC[C@@H](C)[C@H](O)C1CC1 70735967 343527393 /nfs/dbraw/zinc/52/73/93/343527393.db2.gz HWSBYHZZLHJWQH-SVRRBLITSA-N 0 0 128.215 1.803 10 0 ADAERN CSC[C@H](O)C1CC1 70735909 343527396 /nfs/dbraw/zinc/52/73/96/343527396.db2.gz VAOXJTVKEFMDJQ-LURJTMIESA-N 0 0 132.228 1.120 10 0 ADAERN Cc1cccnc1[C@H](O)C1CC1 70735897 343527413 /nfs/dbraw/zinc/52/74/13/343527413.db2.gz SHUPOZXYUIOLJP-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN O=C1CCC[C@H](c2cncnc2)C1 70737524 343527422 /nfs/dbraw/zinc/52/74/22/343527422.db2.gz JBPNGOOPFVXSJF-QMMMGPOBSA-N 0 0 176.219 1.703 10 0 ADAERN Cc1cccc([C@H](O)C2CC2)n1 70735964 343527425 /nfs/dbraw/zinc/52/74/25/343527425.db2.gz RLYWNJYDKRYWNZ-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN Cn1cc([C@H]2CCCC(=O)C2)cn1 70737851 343527429 /nfs/dbraw/zinc/52/74/29/343527429.db2.gz YVQXMPAKRGFJMQ-QMMMGPOBSA-N 0 0 178.235 1.647 10 0 ADAERN CSC[C@@H](O)C1CC1 70735911 343527436 /nfs/dbraw/zinc/52/74/36/343527436.db2.gz VAOXJTVKEFMDJQ-ZCFIWIBFSA-N 0 0 132.228 1.120 10 0 ADAERN Cc1ccnc(C(=O)C2CC2)c1 70735837 343527448 /nfs/dbraw/zinc/52/74/48/343527448.db2.gz ZHOHRZXEGKRRMU-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN CC[C@@H](C)[C@@H](O)C1CC1 70735970 343527450 /nfs/dbraw/zinc/52/74/50/343527450.db2.gz HWSBYHZZLHJWQH-HTRCEHHLSA-N 0 0 128.215 1.803 10 0 ADAERN O=C1CCC[C@H](c2cnccn2)C1 70737988 343527526 /nfs/dbraw/zinc/52/75/26/343527526.db2.gz LJWDNHRQWZZDNO-QMMMGPOBSA-N 0 0 176.219 1.703 10 0 ADAERN Cn1cc(C[C@@H]2CCC(=O)C2)cn1 70738282 343527529 /nfs/dbraw/zinc/52/75/29/343527529.db2.gz XHQJKFIUVITZPW-QMMMGPOBSA-N 0 0 178.235 1.332 10 0 ADAERN Nc1ncccc1[C@H]1CCC(=O)C1 70738446 343527578 /nfs/dbraw/zinc/52/75/78/343527578.db2.gz MQEHYUHZXGOSRZ-ZETCQYMHSA-N 0 0 176.219 1.500 10 0 ADAERN O=C1CC[C@H](C2CCOCC2)C1 70738500 343527582 /nfs/dbraw/zinc/52/75/82/343527582.db2.gz WKJGIGZMZWYZLV-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN Nc1ncccc1C[C@@H]1CCC(=O)C1 70738091 343527598 /nfs/dbraw/zinc/52/75/98/343527598.db2.gz YEAAVEIHQKBOLP-QMMMGPOBSA-N 0 0 190.246 1.576 10 0 ADAERN Nc1ncccc1C[C@H]1CCC(=O)C1 70738094 343527603 /nfs/dbraw/zinc/52/76/03/343527603.db2.gz YEAAVEIHQKBOLP-MRVPVSSYSA-N 0 0 190.246 1.576 10 0 ADAERN CCn1cc([C@H]2CCC(=O)C2)cn1 70738525 343527618 /nfs/dbraw/zinc/52/76/18/343527618.db2.gz XNFWKGIXGUZOCN-QMMMGPOBSA-N 0 0 178.235 1.740 10 0 ADAERN O=C1CC[C@@H](c2cnccn2)C1 70738429 343527627 /nfs/dbraw/zinc/52/76/27/343527627.db2.gz BJAJBFAJENBLAA-SSDOTTSWSA-N 0 0 162.192 1.313 10 0 ADAERN CC(=O)CCc1ccoc1 70738834 343527644 /nfs/dbraw/zinc/52/76/44/343527644.db2.gz HRNSWROQIADGLJ-UHFFFAOYSA-N 0 0 138.166 1.801 10 0 ADAERN CC(=O)CCc1cc(C)cnc1N 70738799 343527650 /nfs/dbraw/zinc/52/76/50/343527650.db2.gz NCDRVLZLFHLCFI-UHFFFAOYSA-N 0 0 178.235 1.494 10 0 ADAERN CC(=O)CCc1cncc(F)c1 70738665 343527655 /nfs/dbraw/zinc/52/76/55/343527655.db2.gz AZKNGQDYRTXBSR-UHFFFAOYSA-N 0 0 167.183 1.742 10 0 ADAERN CCn1cc([C@@H]2CCC(=O)C2)cn1 70738524 343527669 /nfs/dbraw/zinc/52/76/69/343527669.db2.gz XNFWKGIXGUZOCN-MRVPVSSYSA-N 0 0 178.235 1.740 10 0 ADAERN CC(=O)CC[C@@H]1CCOC1 70738716 343527682 /nfs/dbraw/zinc/52/76/82/343527682.db2.gz YBFSZRYVLQBMAM-MRVPVSSYSA-N 0 0 142.198 1.392 10 0 ADAERN O=C1CC[C@@H](C2CCOCC2)C1 70738498 343527698 /nfs/dbraw/zinc/52/76/98/343527698.db2.gz WKJGIGZMZWYZLV-SECBINFHSA-N 0 0 168.236 1.782 10 0 ADAERN CC(=O)CC[C@H]1CCOC1 70738718 343527712 /nfs/dbraw/zinc/52/77/12/343527712.db2.gz YBFSZRYVLQBMAM-QMMMGPOBSA-N 0 0 142.198 1.392 10 0 ADAERN O=C1CC[C@H](c2cnccn2)C1 70738430 343527764 /nfs/dbraw/zinc/52/77/64/343527764.db2.gz BJAJBFAJENBLAA-ZETCQYMHSA-N 0 0 162.192 1.313 10 0 ADAERN CCn1cc(C[C@@H]2CCC(=O)C2)cn1 70738028 343527773 /nfs/dbraw/zinc/52/77/73/343527773.db2.gz BFTNLYVMGPKYTJ-VIFPVBQESA-N 0 0 192.262 1.815 10 0 ADAERN Nc1ncccc1[C@@H]1CCC(=O)C1 70738443 343527791 /nfs/dbraw/zinc/52/77/91/343527791.db2.gz MQEHYUHZXGOSRZ-SSDOTTSWSA-N 0 0 176.219 1.500 10 0 ADAERN CC(=O)CCc1cccnc1N 70738798 343527821 /nfs/dbraw/zinc/52/78/21/343527821.db2.gz ILDVCDNTRQCJSZ-UHFFFAOYSA-N 0 0 164.208 1.185 10 0 ADAERN CCn1cc(C[C@H]2CCC(=O)C2)cn1 70738031 343527827 /nfs/dbraw/zinc/52/78/27/343527827.db2.gz BFTNLYVMGPKYTJ-SECBINFHSA-N 0 0 192.262 1.815 10 0 ADAERN O=C1CC[C@H](c2cncnc2)C1 70738045 343527840 /nfs/dbraw/zinc/52/78/40/343527840.db2.gz KOJWZOVCHMZACQ-ZETCQYMHSA-N 0 0 162.192 1.313 10 0 ADAERN O=C1CC[C@@H](c2cncnc2)C1 70738042 343527856 /nfs/dbraw/zinc/52/78/56/343527856.db2.gz KOJWZOVCHMZACQ-SSDOTTSWSA-N 0 0 162.192 1.313 10 0 ADAERN Cn1cc(C[C@H]2CCC(=O)C2)cn1 70738283 343527864 /nfs/dbraw/zinc/52/78/64/343527864.db2.gz XHQJKFIUVITZPW-MRVPVSSYSA-N 0 0 178.235 1.332 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CC[C@H](C)C1 70763823 343529047 /nfs/dbraw/zinc/52/90/47/343529047.db2.gz NLMBPFYSAIRSGV-CBAPKCEASA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H]1CC[C@](O)(c2nccn2C)C1 70764419 343529056 /nfs/dbraw/zinc/52/90/56/343529056.db2.gz OSXJOUNVSBNLDT-WCBMZHEXSA-N 0 0 180.251 1.428 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@H](C)C1 70763822 343529099 /nfs/dbraw/zinc/52/90/99/343529099.db2.gz NLMBPFYSAIRSGV-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@H]1CC[C@@](O)(c2nccn2C)C1 70764420 343529124 /nfs/dbraw/zinc/52/91/24/343529124.db2.gz OSXJOUNVSBNLDT-SCZZXKLOSA-N 0 0 180.251 1.428 10 0 ADAERN CCn1ccnc1[C@]1(O)CC[C@H](C)C1 70764422 343529190 /nfs/dbraw/zinc/52/91/90/343529190.db2.gz YQMOPOWSXQEQJZ-ONGXEEELSA-N 0 0 194.278 1.911 10 0 ADAERN CCn1ccnc1[C@]1(O)CC[C@@H](C)C1 70764424 343529223 /nfs/dbraw/zinc/52/92/23/343529223.db2.gz YQMOPOWSXQEQJZ-KOLCDFICSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@H]1CC[C@@](O)(c2nccn2C)C1 70764421 343529254 /nfs/dbraw/zinc/52/92/54/343529254.db2.gz OSXJOUNVSBNLDT-WPRPVWTQSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H]1CC[C@](O)(c2nccn2C)C1 70764418 343529273 /nfs/dbraw/zinc/52/92/73/343529273.db2.gz OSXJOUNVSBNLDT-PSASIEDQSA-N 0 0 180.251 1.428 10 0 ADAERN CCn1ccnc1[C@@]1(O)CC[C@@H](C)C1 70764425 343529275 /nfs/dbraw/zinc/52/92/75/343529275.db2.gz YQMOPOWSXQEQJZ-MWLCHTKSSA-N 0 0 194.278 1.911 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)C1 70763824 343529276 /nfs/dbraw/zinc/52/92/76/343529276.db2.gz NLMBPFYSAIRSGV-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@H]1CC[C@](O)(c2cccnc2N)C1 70764483 343529400 /nfs/dbraw/zinc/52/94/00/343529400.db2.gz DRYMLXZTUQSFER-GZMMTYOYSA-N 0 0 192.262 1.671 10 0 ADAERN CCn1cc([C@@]2(O)CC[C@@H](C)C2)cn1 70764941 343529415 /nfs/dbraw/zinc/52/94/15/343529415.db2.gz AIRIVLYZPSLAHP-MWLCHTKSSA-N 0 0 194.278 1.911 10 0 ADAERN CCn1cc([C@@]2(O)CC[C@H](C)C2)cn1 70764937 343529419 /nfs/dbraw/zinc/52/94/19/343529419.db2.gz AIRIVLYZPSLAHP-GXSJLCMTSA-N 0 0 194.278 1.911 10 0 ADAERN CCn1nccc1[C@@]1(O)CC[C@H](C)C1 70764686 343529427 /nfs/dbraw/zinc/52/94/27/343529427.db2.gz GVMZKFLNXIYDIR-GXSJLCMTSA-N 0 0 194.278 1.911 10 0 ADAERN CCn1nccc1[C@]1(O)CC[C@@H](C)C1 70764689 343529432 /nfs/dbraw/zinc/52/94/32/343529432.db2.gz GVMZKFLNXIYDIR-KOLCDFICSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@H]1CC[C@](C(=O)[O-])([NH+](C)C)C1 70766062 343529434 /nfs/dbraw/zinc/52/94/34/343529434.db2.gz XWLZYONQCZLTAD-CBAPKCEASA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CC[C@](O)(c2cnccn2)C1 70764882 343529446 /nfs/dbraw/zinc/52/94/46/343529446.db2.gz HNJPPCBQVMFKLJ-WCBMZHEXSA-N 0 0 178.235 1.484 10 0 ADAERN CC[C@H]1CC[C@](O)(c2cncnc2)C1 70765497 343529458 /nfs/dbraw/zinc/52/94/58/343529458.db2.gz NDGMGHGBGNQBMA-GXSJLCMTSA-N 0 0 192.262 1.874 10 0 ADAERN C[C@H]1CC[C@@](O)(Cc2cnn(C)c2)C1 70764652 343529462 /nfs/dbraw/zinc/52/94/62/343529462.db2.gz HZOTZMLCTMLHKW-ONGXEEELSA-N 0 0 194.278 1.514 10 0 ADAERN C[C@@H]1CC[C@@](O)(Cc2cnn(C)c2)C1 70764650 343529467 /nfs/dbraw/zinc/52/94/67/343529467.db2.gz HZOTZMLCTMLHKW-KOLCDFICSA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@@H]1CC[C@@](O)(c2cncnc2)C1 70765499 343529497 /nfs/dbraw/zinc/52/94/97/343529497.db2.gz NDGMGHGBGNQBMA-KOLCDFICSA-N 0 0 192.262 1.874 10 0 ADAERN C[C@H]1CC[C@](O)(Cc2cnn(C)c2)C1 70764648 343529518 /nfs/dbraw/zinc/52/95/18/343529518.db2.gz HZOTZMLCTMLHKW-GXSJLCMTSA-N 0 0 194.278 1.514 10 0 ADAERN C[C@@H]1CC[C@](O)(Cc2cnn(C)c2)C1 70764647 343529522 /nfs/dbraw/zinc/52/95/22/343529522.db2.gz HZOTZMLCTMLHKW-MWLCHTKSSA-N 0 0 194.278 1.514 10 0 ADAERN CC[C@H]1CC[C@](O)(c2cnccn2)C1 70765654 343529551 /nfs/dbraw/zinc/52/95/51/343529551.db2.gz FZISIRMASXBLAA-GXSJLCMTSA-N 0 0 192.262 1.874 10 0 ADAERN C[C@@H]1CC[C@](O)(c2cnccn2)C1 70764880 343529529 /nfs/dbraw/zinc/52/95/29/343529529.db2.gz HNJPPCBQVMFKLJ-PSASIEDQSA-N 0 0 178.235 1.484 10 0 ADAERN CC[C@H]1CC[C@@](O)(c2cnccn2)C1 70765659 343529534 /nfs/dbraw/zinc/52/95/34/343529534.db2.gz FZISIRMASXBLAA-ONGXEEELSA-N 0 0 192.262 1.874 10 0 ADAERN CC[C@H]1CC[C@@](O)(c2cncnc2)C1 70765502 343529539 /nfs/dbraw/zinc/52/95/39/343529539.db2.gz NDGMGHGBGNQBMA-ONGXEEELSA-N 0 0 192.262 1.874 10 0 ADAERN C[C@@H]1CC[C@](C(=O)[O-])([NH+](C)C)C1 70766058 343529548 /nfs/dbraw/zinc/52/95/48/343529548.db2.gz XWLZYONQCZLTAD-APPZFPTMSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CC[C@@](O)(c2cccnc2N)C1 70764486 343529564 /nfs/dbraw/zinc/52/95/64/343529564.db2.gz DRYMLXZTUQSFER-KWQFWETISA-N 0 0 192.262 1.671 10 0 ADAERN C[C@@H]1CC[C@@](O)(c2ccnn2C)C1 70765120 343529575 /nfs/dbraw/zinc/52/95/75/343529575.db2.gz QFQGYVFPSMPLOE-SCZZXKLOSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@H]1CC[C@@](O)(c2ccnn2C)C1 70765122 343529601 /nfs/dbraw/zinc/52/96/01/343529601.db2.gz QFQGYVFPSMPLOE-WPRPVWTQSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H]1CC[C@](O)(c2ccnn2C)C1 70765117 343529627 /nfs/dbraw/zinc/52/96/27/343529627.db2.gz QFQGYVFPSMPLOE-PSASIEDQSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H]1CC[C@](O)(c2cccnc2N)C1 70764482 343529609 /nfs/dbraw/zinc/52/96/09/343529609.db2.gz DRYMLXZTUQSFER-LDYMZIIASA-N 0 0 192.262 1.671 10 0 ADAERN C[C@@H]1CC[C@@](O)(c2cnccn2)C1 70764886 343529621 /nfs/dbraw/zinc/52/96/21/343529621.db2.gz HNJPPCBQVMFKLJ-SCZZXKLOSA-N 0 0 178.235 1.484 10 0 ADAERN CC[C@@H]1CC[C@](O)(c2cnccn2)C1 70765651 343529623 /nfs/dbraw/zinc/52/96/23/343529623.db2.gz FZISIRMASXBLAA-MWLCHTKSSA-N 0 0 192.262 1.874 10 0 ADAERN CCn1nccc1[C@]1(O)CC[C@H](C)C1 70764684 343529636 /nfs/dbraw/zinc/52/96/36/343529636.db2.gz GVMZKFLNXIYDIR-ONGXEEELSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@H]1CC[C@@](C(=O)[O-])([NH+](C)C)C1 70766054 343529639 /nfs/dbraw/zinc/52/96/39/343529639.db2.gz XWLZYONQCZLTAD-IONNQARKSA-N 0 0 171.240 1.191 10 0 ADAERN CCn1nccc1[C@@]1(O)CC[C@@H](C)C1 70764692 343529650 /nfs/dbraw/zinc/52/96/50/343529650.db2.gz GVMZKFLNXIYDIR-MWLCHTKSSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@H]1CC[C@@](O)(c2cnccn2)C1 70764887 343529659 /nfs/dbraw/zinc/52/96/59/343529659.db2.gz HNJPPCBQVMFKLJ-WPRPVWTQSA-N 0 0 178.235 1.484 10 0 ADAERN CCn1cc([C@]2(O)CC[C@@H](C)C2)cn1 70764939 343529663 /nfs/dbraw/zinc/52/96/63/343529663.db2.gz AIRIVLYZPSLAHP-KOLCDFICSA-N 0 0 194.278 1.911 10 0 ADAERN CC[C@@H]1CC[C@](O)(c2cncnc2)C1 70765496 343529679 /nfs/dbraw/zinc/52/96/79/343529679.db2.gz NDGMGHGBGNQBMA-MWLCHTKSSA-N 0 0 192.262 1.874 10 0 ADAERN CC[C@@H]1CC[C@@](O)(c2cnccn2)C1 70765656 343529705 /nfs/dbraw/zinc/52/97/05/343529705.db2.gz FZISIRMASXBLAA-KOLCDFICSA-N 0 0 192.262 1.874 10 0 ADAERN C[C@H]1CC[C@](O)(c2ccnn2C)C1 70765119 343529719 /nfs/dbraw/zinc/52/97/19/343529719.db2.gz QFQGYVFPSMPLOE-WCBMZHEXSA-N 0 0 180.251 1.428 10 0 ADAERN CCn1cc([C@]2(O)CC[C@H](C)C2)cn1 70764935 343529722 /nfs/dbraw/zinc/52/97/22/343529722.db2.gz AIRIVLYZPSLAHP-ONGXEEELSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@@H]1CC[C@@](C(=O)[O-])([NH+](C)C)C1 70766051 343529735 /nfs/dbraw/zinc/52/97/35/343529735.db2.gz XWLZYONQCZLTAD-VXNVDRBHSA-N 0 0 171.240 1.191 10 0 ADAERN CC[C@@H]1CC[C@@]2(CC(=O)NC2=O)C1 70767466 343529804 /nfs/dbraw/zinc/52/98/04/343529804.db2.gz MIDBPEFGJWMOEK-XCBNKYQSSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@H]1CC[C@]2(CC(=O)CCO2)C1 70767273 343529826 /nfs/dbraw/zinc/52/98/26/343529826.db2.gz JKGRBMGRSDWQPN-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@H]1CCC2(CC(=O)NC(=O)C2)C1 70767168 343529846 /nfs/dbraw/zinc/52/98/46/343529846.db2.gz HCEIDGASHDSQEZ-ZETCQYMHSA-N 0 0 181.235 1.229 10 0 ADAERN CC[C@@H]1CC[C@@]2(C[NH2+]C[C@@H]2C(=O)[O-])C1 70767200 343529852 /nfs/dbraw/zinc/52/98/52/343529852.db2.gz VUTMCZNQKDHZAW-KKZNHRDASA-N 0 0 197.278 1.487 10 0 ADAERN C[C@H]1CC[C@@]2(CC(=O)CCO2)C1 70767280 343529884 /nfs/dbraw/zinc/52/98/84/343529884.db2.gz JKGRBMGRSDWQPN-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN CC[C@H]1CC[C@@]2(CC(=O)NC2=O)C1 70767469 343529905 /nfs/dbraw/zinc/52/99/05/343529905.db2.gz MIDBPEFGJWMOEK-XVKPBYJWSA-N 0 0 181.235 1.229 10 0 ADAERN CC[C@@H]1CC[C@H]([C@@H]2CC(=O)NC2=O)C1 70767403 343529914 /nfs/dbraw/zinc/52/99/14/343529914.db2.gz OQLYDFRUBQANGH-VGMNWLOBSA-N 0 0 195.262 1.475 10 0 ADAERN CC[C@H]1CCC2(CC(=O)NC(=O)C2)C1 70767174 343529917 /nfs/dbraw/zinc/52/99/17/343529917.db2.gz YKECTNOBQYNERR-QMMMGPOBSA-N 0 0 195.262 1.620 10 0 ADAERN CC[C@H]1CC[C@]2(CC(=O)NC2=O)C1 70767464 343529924 /nfs/dbraw/zinc/52/99/24/343529924.db2.gz MIDBPEFGJWMOEK-OIBJUYFYSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@H]1CC/C(=C2\CC(=O)NC2=O)C1 70767387 343529931 /nfs/dbraw/zinc/52/99/31/343529931.db2.gz QEIPPNFAMLLLEN-VALLEEFXSA-N 0 0 179.219 1.150 10 0 ADAERN C[C@@H]1CCC2(CC(=O)NC(=O)C2)C1 70767165 343529965 /nfs/dbraw/zinc/52/99/65/343529965.db2.gz HCEIDGASHDSQEZ-SSDOTTSWSA-N 0 0 181.235 1.229 10 0 ADAERN CC[C@@H]1CCC2(CC(=O)NC(=O)C2)C1 70767170 343529969 /nfs/dbraw/zinc/52/99/69/343529969.db2.gz YKECTNOBQYNERR-MRVPVSSYSA-N 0 0 195.262 1.620 10 0 ADAERN C[C@H]1CC/C(=C2\CC(=O)NC2=O)C1 70767389 343529973 /nfs/dbraw/zinc/52/99/73/343529973.db2.gz QEIPPNFAMLLLEN-WXIAHEHCSA-N 0 0 179.219 1.150 10 0 ADAERN CC[C@@H]1CC[C@]2(C[NH2+]C[C@@H]2C(=O)[O-])C1 70767195 343530006 /nfs/dbraw/zinc/53/00/06/343530006.db2.gz VUTMCZNQKDHZAW-FXPVBKGRSA-N 0 0 197.278 1.487 10 0 ADAERN C[C@@H]1CC[C@@]2(CC(=O)CCO2)C1 70767276 343530012 /nfs/dbraw/zinc/53/00/12/343530012.db2.gz JKGRBMGRSDWQPN-SCZZXKLOSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2CC(=O)NC2=O)C1 70767395 343530015 /nfs/dbraw/zinc/53/00/15/343530015.db2.gz YZASDSSQWUMNSS-CSMHCCOUSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H]2CC(=O)NC2=O)C1 70767399 343530079 /nfs/dbraw/zinc/53/00/79/343530079.db2.gz YZASDSSQWUMNSS-PRJMDXOYSA-N 0 0 181.235 1.085 10 0 ADAERN CC[C@@H]1CC[C@]2(CC(=O)NC2=O)C1 70767461 343530041 /nfs/dbraw/zinc/53/00/41/343530041.db2.gz MIDBPEFGJWMOEK-GMSGAONNSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@H](O)CC[C@@H]1CCOC1 70770322 343530313 /nfs/dbraw/zinc/53/03/13/343530313.db2.gz SVHLIJWRAJGSQX-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@@H](O)CC[C@H]1CCOC1 70770332 343530339 /nfs/dbraw/zinc/53/03/39/343530339.db2.gz SVHLIJWRAJGSQX-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@@H](O)CC[C@@H]1CCOC1 70770325 343530399 /nfs/dbraw/zinc/53/03/99/343530399.db2.gz SVHLIJWRAJGSQX-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H](O)CC[C@H]1CCOC1 70770327 343530465 /nfs/dbraw/zinc/53/04/65/343530465.db2.gz SVHLIJWRAJGSQX-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@H](O)CCc1ccoc1 70770713 343530619 /nfs/dbraw/zinc/53/06/19/343530619.db2.gz QEOXKTBMWSMNDM-ZETCQYMHSA-N 0 0 140.182 1.593 10 0 ADAERN Cn1ccnc1[C@@H]1CC[C@H](O)C1 70771159 343530621 /nfs/dbraw/zinc/53/06/21/343530621.db2.gz WAZYNLMRCCPTAT-SFYZADRCSA-N 0 0 166.224 1.049 10 0 ADAERN Cn1ccnc1[C@H]1CC[C@@H](O)C1 70771169 343530625 /nfs/dbraw/zinc/53/06/25/343530625.db2.gz WAZYNLMRCCPTAT-JGVFFNPUSA-N 0 0 166.224 1.049 10 0 ADAERN Cn1cc(C[C@@H]2CC[C@H](O)C2)cn1 70770964 343530631 /nfs/dbraw/zinc/53/06/31/343530631.db2.gz QJVTWAMJNVJQKG-WPRPVWTQSA-N 0 0 180.251 1.124 10 0 ADAERN Cn1cc(C[C@H]2CC[C@@H](O)C2)cn1 70770975 343530657 /nfs/dbraw/zinc/53/06/57/343530657.db2.gz QJVTWAMJNVJQKG-PSASIEDQSA-N 0 0 180.251 1.124 10 0 ADAERN CCCn1cc([C@@H]2CC[C@@H](O)C2)cn1 70771694 343530660 /nfs/dbraw/zinc/53/06/60/343530660.db2.gz CTLBADSGIXUGMR-MWLCHTKSSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@H]1CC[C@@H](C2CC2)C1 70771233 343530664 /nfs/dbraw/zinc/53/06/64/343530664.db2.gz SRTLPZBZDDLSAW-SFYZADRCSA-N 0 0 126.199 1.557 10 0 ADAERN CCCn1nccc1[C@H]1CC[C@@H](O)C1 70771687 343530674 /nfs/dbraw/zinc/53/06/74/343530674.db2.gz CSXGMIXMBNEAPQ-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@@H]1CC[C@@H](C2CC2)C1 70771239 343530680 /nfs/dbraw/zinc/53/06/80/343530680.db2.gz SRTLPZBZDDLSAW-HTQZYQBOSA-N 0 0 126.199 1.557 10 0 ADAERN CCn1cc(C[C@H]2CC[C@H](O)C2)cn1 70770981 343530682 /nfs/dbraw/zinc/53/06/82/343530682.db2.gz PMOPPWRRKLVFOE-KOLCDFICSA-N 0 0 194.278 1.607 10 0 ADAERN CCCn1cc([C@H]2CC[C@H](O)C2)cn1 70771690 343530691 /nfs/dbraw/zinc/53/06/91/343530691.db2.gz CTLBADSGIXUGMR-ONGXEEELSA-N 0 0 194.278 1.922 10 0 ADAERN Cn1cc(C[C@H]2CC[C@H](O)C2)cn1 70770969 343530709 /nfs/dbraw/zinc/53/07/09/343530709.db2.gz QJVTWAMJNVJQKG-SCZZXKLOSA-N 0 0 180.251 1.124 10 0 ADAERN Cn1ccnc1[C@@H]1CC[C@@H](O)C1 70771165 343530716 /nfs/dbraw/zinc/53/07/16/343530716.db2.gz WAZYNLMRCCPTAT-HTQZYQBOSA-N 0 0 166.224 1.049 10 0 ADAERN Cn1ccnc1[C@H]1CC[C@H](O)C1 70771162 343530725 /nfs/dbraw/zinc/53/07/25/343530725.db2.gz WAZYNLMRCCPTAT-YUMQZZPRSA-N 0 0 166.224 1.049 10 0 ADAERN CCCn1cc([C@H]2CC[C@@H](O)C2)cn1 70771696 343530740 /nfs/dbraw/zinc/53/07/40/343530740.db2.gz CTLBADSGIXUGMR-GXSJLCMTSA-N 0 0 194.278 1.922 10 0 ADAERN CCCn1nccc1[C@@H]1CC[C@H](O)C1 70771678 343530746 /nfs/dbraw/zinc/53/07/46/343530746.db2.gz CSXGMIXMBNEAPQ-ZJUUUORDSA-N 0 0 194.278 1.922 10 0 ADAERN CCCn1cc([C@@H]2CC[C@H](O)C2)cn1 70771689 343530783 /nfs/dbraw/zinc/53/07/83/343530783.db2.gz CTLBADSGIXUGMR-KOLCDFICSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@@H]1CC[C@H](C2CC2)C1 70771241 343530789 /nfs/dbraw/zinc/53/07/89/343530789.db2.gz SRTLPZBZDDLSAW-JGVFFNPUSA-N 0 0 126.199 1.557 10 0 ADAERN Cn1cc(C[C@@H]2CC[C@@H](O)C2)cn1 70770973 343530795 /nfs/dbraw/zinc/53/07/95/343530795.db2.gz QJVTWAMJNVJQKG-WCBMZHEXSA-N 0 0 180.251 1.124 10 0 ADAERN CCn1cc(C[C@H]2CC[C@@H](O)C2)cn1 70770987 343530799 /nfs/dbraw/zinc/53/07/99/343530799.db2.gz PMOPPWRRKLVFOE-MWLCHTKSSA-N 0 0 194.278 1.607 10 0 ADAERN CCn1cc(C[C@@H]2CC[C@H](O)C2)cn1 70770978 343530809 /nfs/dbraw/zinc/53/08/09/343530809.db2.gz PMOPPWRRKLVFOE-ONGXEEELSA-N 0 0 194.278 1.607 10 0 ADAERN O[C@H]1CC[C@H](C2CC2)C1 70771236 343530823 /nfs/dbraw/zinc/53/08/23/343530823.db2.gz SRTLPZBZDDLSAW-YUMQZZPRSA-N 0 0 126.199 1.557 10 0 ADAERN CCCn1nccc1[C@@H]1CC[C@@H](O)C1 70771683 343530839 /nfs/dbraw/zinc/53/08/39/343530839.db2.gz CSXGMIXMBNEAPQ-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN C[C@@H](O)CCc1ccoc1 70770714 343530854 /nfs/dbraw/zinc/53/08/54/343530854.db2.gz QEOXKTBMWSMNDM-SSDOTTSWSA-N 0 0 140.182 1.593 10 0 ADAERN CCCn1nccc1[C@H]1CC[C@H](O)C1 70771681 343530855 /nfs/dbraw/zinc/53/08/55/343530855.db2.gz CSXGMIXMBNEAPQ-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@H]1CC[C@H](C2CCOCC2)C1 70772322 343531162 /nfs/dbraw/zinc/53/11/62/343531162.db2.gz DBABYKMWANLLAD-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN CCn1cc([C@H]2CC[C@@H](O)C2)cn1 70772756 343531126 /nfs/dbraw/zinc/53/11/26/343531126.db2.gz RDDPVRBKWCUESB-WCBMZHEXSA-N 0 0 180.251 1.531 10 0 ADAERN Cn1cc([C@@H]2CC[C@H](O)C2)cn1 70772706 343531131 /nfs/dbraw/zinc/53/11/31/343531131.db2.gz MEEJZRPSNLVCMT-APPZFPTMSA-N 0 0 166.224 1.049 10 0 ADAERN O[C@H]1CC[C@H](c2cncnc2)C1 70772782 343531136 /nfs/dbraw/zinc/53/11/36/343531136.db2.gz TXTMKCSECNLOCI-CBAPKCEASA-N 0 0 164.208 1.105 10 0 ADAERN Nc1ncccc1[C@H]1CC[C@H](O)C1 70772028 343531138 /nfs/dbraw/zinc/53/11/38/343531138.db2.gz OAPKFUXSNCEFNE-YUMQZZPRSA-N 0 0 178.235 1.292 10 0 ADAERN Nc1ncccc1C[C@@H]1CC[C@H](O)C1 70772365 343531140 /nfs/dbraw/zinc/53/11/40/343531140.db2.gz QNJHQMCBBAGJNC-WPRPVWTQSA-N 0 0 192.262 1.367 10 0 ADAERN O[C@@H]1CC[C@H](c2cncnc2)C1 70772786 343531143 /nfs/dbraw/zinc/53/11/43/343531143.db2.gz TXTMKCSECNLOCI-IONNQARKSA-N 0 0 164.208 1.105 10 0 ADAERN O[C@H]1CC[C@@H](c2ccoc2)C1 70772301 343531146 /nfs/dbraw/zinc/53/11/46/343531146.db2.gz NVSHVVVLHLWCMS-APPZFPTMSA-N 0 0 152.193 1.908 10 0 ADAERN O[C@H]1CC[C@@H](c2cncnc2)C1 70772779 343531148 /nfs/dbraw/zinc/53/11/48/343531148.db2.gz TXTMKCSECNLOCI-APPZFPTMSA-N 0 0 164.208 1.105 10 0 ADAERN CCn1cc([C@@H]2CC[C@H](O)C2)cn1 70772739 343531149 /nfs/dbraw/zinc/53/11/49/343531149.db2.gz RDDPVRBKWCUESB-SCZZXKLOSA-N 0 0 180.251 1.531 10 0 ADAERN O[C@H]1CC[C@H](c2ccoc2)C1 70772306 343531152 /nfs/dbraw/zinc/53/11/52/343531152.db2.gz NVSHVVVLHLWCMS-CBAPKCEASA-N 0 0 152.193 1.908 10 0 ADAERN O[C@@H]1CC[C@H](C2CCOCC2)C1 70772325 343531154 /nfs/dbraw/zinc/53/11/54/343531154.db2.gz DBABYKMWANLLAD-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@@H]1CC[C@@H](c2cnccn2)C1 70772842 343531159 /nfs/dbraw/zinc/53/11/59/343531159.db2.gz BOUYFLXXHQUDSY-HTQZYQBOSA-N 0 0 164.208 1.105 10 0 ADAERN O[C@@H]1CC[C@@H](c2cncnc2)C1 70772785 343531184 /nfs/dbraw/zinc/53/11/84/343531184.db2.gz TXTMKCSECNLOCI-VXNVDRBHSA-N 0 0 164.208 1.105 10 0 ADAERN O[C@@H]1CC[C@@H](c2ccoc2)C1 70772308 343531197 /nfs/dbraw/zinc/53/11/97/343531197.db2.gz NVSHVVVLHLWCMS-VXNVDRBHSA-N 0 0 152.193 1.908 10 0 ADAERN CCn1ccnc1[C@@H]1CCC[C@@H](O)C1 70774083 343531199 /nfs/dbraw/zinc/53/11/99/343531199.db2.gz VTXPKAMZJHLOBM-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN Nc1ncccc1[C@@H]1CC[C@@H](O)C1 70772031 343531204 /nfs/dbraw/zinc/53/12/04/343531204.db2.gz OAPKFUXSNCEFNE-HTQZYQBOSA-N 0 0 178.235 1.292 10 0 ADAERN O[C@@H]1CC[C@@H](c2cncc(F)c2)C1 70772411 343531211 /nfs/dbraw/zinc/53/12/11/343531211.db2.gz XPILIOREUKPYSL-GMSGAONNSA-N 0 0 181.210 1.849 10 0 ADAERN O[C@@H]1CC[C@H](c2cnccn2)C1 70772845 343531216 /nfs/dbraw/zinc/53/12/16/343531216.db2.gz BOUYFLXXHQUDSY-JGVFFNPUSA-N 0 0 164.208 1.105 10 0 ADAERN Cn1cc([C@@H]2CC[C@@H](O)C2)cn1 70772714 343531221 /nfs/dbraw/zinc/53/12/21/343531221.db2.gz MEEJZRPSNLVCMT-VXNVDRBHSA-N 0 0 166.224 1.049 10 0 ADAERN Cn1cc([C@H]2CC[C@H](O)C2)cn1 70772711 343531229 /nfs/dbraw/zinc/53/12/29/343531229.db2.gz MEEJZRPSNLVCMT-CBAPKCEASA-N 0 0 166.224 1.049 10 0 ADAERN CCn1ccnc1[C@H]1CCC[C@H](O)C1 70774080 343531237 /nfs/dbraw/zinc/53/12/37/343531237.db2.gz VTXPKAMZJHLOBM-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN Nc1ncccc1[C@H]1CC[C@@H](O)C1 70772034 343531248 /nfs/dbraw/zinc/53/12/48/343531248.db2.gz OAPKFUXSNCEFNE-JGVFFNPUSA-N 0 0 178.235 1.292 10 0 ADAERN O[C@@H]1CC[C@@H](C2CCOCC2)C1 70772321 343531256 /nfs/dbraw/zinc/53/12/56/343531256.db2.gz DBABYKMWANLLAD-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@H]1CC[C@H](c2cnccn2)C1 70772838 343531261 /nfs/dbraw/zinc/53/12/61/343531261.db2.gz BOUYFLXXHQUDSY-YUMQZZPRSA-N 0 0 164.208 1.105 10 0 ADAERN O[C@H]1CC[C@@H](c2cncc(F)c2)C1 70772401 343531263 /nfs/dbraw/zinc/53/12/63/343531263.db2.gz XPILIOREUKPYSL-XCBNKYQSSA-N 0 0 181.210 1.849 10 0 ADAERN O[C@H]1CC[C@H](c2cncc(F)c2)C1 70772406 343531269 /nfs/dbraw/zinc/53/12/69/343531269.db2.gz XPILIOREUKPYSL-XVKPBYJWSA-N 0 0 181.210 1.849 10 0 ADAERN O[C@H]1CC[C@@H](c2cnccn2)C1 70772834 343531274 /nfs/dbraw/zinc/53/12/74/343531274.db2.gz BOUYFLXXHQUDSY-SFYZADRCSA-N 0 0 164.208 1.105 10 0 ADAERN O[C@H]1CC[C@@H](C2CCOCC2)C1 70772317 343531288 /nfs/dbraw/zinc/53/12/88/343531288.db2.gz DBABYKMWANLLAD-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN CCn1ccnc1[C@H]1CCC[C@@H](O)C1 70774086 343531301 /nfs/dbraw/zinc/53/13/01/343531301.db2.gz VTXPKAMZJHLOBM-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN Cn1cc([C@H]2CC[C@@H](O)C2)cn1 70772718 343531305 /nfs/dbraw/zinc/53/13/05/343531305.db2.gz MEEJZRPSNLVCMT-IONNQARKSA-N 0 0 166.224 1.049 10 0 ADAERN Nc1ncccc1[C@@H]1CC[C@H](O)C1 70772025 343531310 /nfs/dbraw/zinc/53/13/10/343531310.db2.gz OAPKFUXSNCEFNE-SFYZADRCSA-N 0 0 178.235 1.292 10 0 ADAERN CCn1cc([C@H]2CC[C@H](O)C2)cn1 70772743 343531324 /nfs/dbraw/zinc/53/13/24/343531324.db2.gz RDDPVRBKWCUESB-WPRPVWTQSA-N 0 0 180.251 1.531 10 0 ADAERN Nc1ncccc1C[C@@H]1CC[C@@H](O)C1 70772377 343531330 /nfs/dbraw/zinc/53/13/30/343531330.db2.gz QNJHQMCBBAGJNC-WCBMZHEXSA-N 0 0 192.262 1.367 10 0 ADAERN Cn1nccc1[C@@H]1CCC[C@H](O)C1 70774302 343531639 /nfs/dbraw/zinc/53/16/39/343531639.db2.gz UZABYTAOPLYFFC-BDAKNGLRSA-N 0 0 180.251 1.439 10 0 ADAERN CCn1cc([C@@H]2CCC[C@@H](O)C2)cn1 70774576 343531611 /nfs/dbraw/zinc/53/16/11/343531611.db2.gz FLCSGKNJGAFFGP-MWLCHTKSSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@@H]1CCC[C@@H](c2cnccn2)C1 70774693 343531632 /nfs/dbraw/zinc/53/16/32/343531632.db2.gz MMOJWLBTNKMDCK-RKDXNWHRSA-N 0 0 178.235 1.495 10 0 ADAERN CCn1cc([C@@H]2CCC[C@H](O)C2)cn1 70774572 343531633 /nfs/dbraw/zinc/53/16/33/343531633.db2.gz FLCSGKNJGAFFGP-KOLCDFICSA-N 0 0 194.278 1.922 10 0 ADAERN CCn1nccc1[C@H]1CCC[C@@H](O)C1 70774298 343531635 /nfs/dbraw/zinc/53/16/35/343531635.db2.gz MONUMYMFIRWECQ-VHSXEESVSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@H]1CCCC[C@H](c2cnccn2)C1 70776829 343531638 /nfs/dbraw/zinc/53/16/38/343531638.db2.gz UZIYZSJQNUJJAZ-UWVGGRQHSA-N 0 0 192.262 1.885 10 0 ADAERN Cn1nccc1[C@@H]1CCC[C@@H](O)C1 70774310 343531675 /nfs/dbraw/zinc/53/16/75/343531675.db2.gz UZABYTAOPLYFFC-RKDXNWHRSA-N 0 0 180.251 1.439 10 0 ADAERN O[C@@H]1CCC[C@H](c2cnccn2)C1 70774694 343531678 /nfs/dbraw/zinc/53/16/78/343531678.db2.gz MMOJWLBTNKMDCK-DTWKUNHWSA-N 0 0 178.235 1.495 10 0 ADAERN CCn1nccc1[C@H]1CCC[C@H](O)C1 70774292 343531685 /nfs/dbraw/zinc/53/16/85/343531685.db2.gz MONUMYMFIRWECQ-UWVGGRQHSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@H]1CCC[C@H](c2cnccn2)C1 70774690 343531706 /nfs/dbraw/zinc/53/17/06/343531706.db2.gz MMOJWLBTNKMDCK-IUCAKERBSA-N 0 0 178.235 1.495 10 0 ADAERN Cn1nccc1[C@H]1CCCC[C@H](O)C1 70776531 343531710 /nfs/dbraw/zinc/53/17/10/343531710.db2.gz HHFGZGFJCWNTKB-UWVGGRQHSA-N 0 0 194.278 1.829 10 0 ADAERN Cn1ccnc1[C@@H]1CCCC[C@H](O)C1 70775651 343531714 /nfs/dbraw/zinc/53/17/14/343531714.db2.gz ASSONYVSYXKCPK-ZJUUUORDSA-N 0 0 194.278 1.829 10 0 ADAERN O[C@@H]1CCC[C@@H](c2cncnc2)C1 70774618 343531724 /nfs/dbraw/zinc/53/17/24/343531724.db2.gz IXMVBJGWPVGZAZ-PSASIEDQSA-N 0 0 178.235 1.495 10 0 ADAERN CCn1nccc1[C@@H]1CCC[C@@H](O)C1 70774296 343531728 /nfs/dbraw/zinc/53/17/28/343531728.db2.gz MONUMYMFIRWECQ-NXEZZACHSA-N 0 0 194.278 1.922 10 0 ADAERN Cn1nccc1[C@@H]1CCCC[C@@H](O)C1 70776534 343531733 /nfs/dbraw/zinc/53/17/33/343531733.db2.gz HHFGZGFJCWNTKB-NXEZZACHSA-N 0 0 194.278 1.829 10 0 ADAERN Cn1ccnc1[C@H]1CCCC[C@@H](O)C1 70775659 343531748 /nfs/dbraw/zinc/53/17/48/343531748.db2.gz ASSONYVSYXKCPK-VHSXEESVSA-N 0 0 194.278 1.829 10 0 ADAERN O[C@H]1CCCC[C@@H](c2cnccn2)C1 70776827 343531757 /nfs/dbraw/zinc/53/17/57/343531757.db2.gz UZIYZSJQNUJJAZ-ZJUUUORDSA-N 0 0 192.262 1.885 10 0 ADAERN Cn1ccnc1[C@H]1CCCC[C@H](O)C1 70775653 343531761 /nfs/dbraw/zinc/53/17/61/343531761.db2.gz ASSONYVSYXKCPK-UWVGGRQHSA-N 0 0 194.278 1.829 10 0 ADAERN O[C@H]1CCC[C@@H](c2cncnc2)C1 70774612 343531765 /nfs/dbraw/zinc/53/17/65/343531765.db2.gz IXMVBJGWPVGZAZ-SCZZXKLOSA-N 0 0 178.235 1.495 10 0 ADAERN O[C@H]1CCC[C@@H](c2cnccn2)C1 70774689 343531769 /nfs/dbraw/zinc/53/17/69/343531769.db2.gz MMOJWLBTNKMDCK-BDAKNGLRSA-N 0 0 178.235 1.495 10 0 ADAERN Cn1nccc1[C@@H]1CCCC[C@H](O)C1 70776528 343531773 /nfs/dbraw/zinc/53/17/73/343531773.db2.gz HHFGZGFJCWNTKB-ZJUUUORDSA-N 0 0 194.278 1.829 10 0 ADAERN CCn1cc([C@H]2CCC[C@@H](O)C2)cn1 70774582 343531809 /nfs/dbraw/zinc/53/18/09/343531809.db2.gz FLCSGKNJGAFFGP-GXSJLCMTSA-N 0 0 194.278 1.922 10 0 ADAERN O[C@@H]1CCC[C@H](c2cncnc2)C1 70774621 343531820 /nfs/dbraw/zinc/53/18/20/343531820.db2.gz IXMVBJGWPVGZAZ-WCBMZHEXSA-N 0 0 178.235 1.495 10 0 ADAERN Cn1nccc1[C@H]1CCCC[C@@H](O)C1 70776540 343531835 /nfs/dbraw/zinc/53/18/35/343531835.db2.gz HHFGZGFJCWNTKB-VHSXEESVSA-N 0 0 194.278 1.829 10 0 ADAERN Cn1nccc1[C@H]1CCC[C@H](O)C1 70774305 343531857 /nfs/dbraw/zinc/53/18/57/343531857.db2.gz UZABYTAOPLYFFC-IUCAKERBSA-N 0 0 180.251 1.439 10 0 ADAERN CCn1nccc1[C@@H]1CCC[C@H](O)C1 70774289 343531863 /nfs/dbraw/zinc/53/18/63/343531863.db2.gz MONUMYMFIRWECQ-ZJUUUORDSA-N 0 0 194.278 1.922 10 0 ADAERN Cn1ccnc1CNCc1ccoc1 70797642 343532139 /nfs/dbraw/zinc/53/21/39/343532139.db2.gz VHCKRYPWTPURIP-UHFFFAOYSA-N 0 0 191.234 1.303 10 0 ADAERN Cc1noc(C)c1-c1nc(CO)c[nH]1 70798210 343532353 /nfs/dbraw/zinc/53/23/53/343532353.db2.gz PHCOLLOOVXSZBW-UHFFFAOYSA-N 0 0 193.206 1.174 10 0 ADAERN CC1(C)Cc2cccc(CNN)c2O1 70800081 343532381 /nfs/dbraw/zinc/53/23/81/343532381.db2.gz RGAJAOHZSFDQKB-UHFFFAOYSA-N 0 0 192.262 1.363 10 0 ADAERN FC(F)c1nc2cc[nH]cc-2n1 70801576 343532799 /nfs/dbraw/zinc/53/27/99/343532799.db2.gz IYDGMGPYZMNOKQ-UHFFFAOYSA-N 0 0 169.134 1.896 10 0 ADAERN C[C@H](O)c1nc2cc[nH]cc-2n1 70819532 343532808 /nfs/dbraw/zinc/53/28/08/343532808.db2.gz PTPQNGSMOHXIPX-YFKPBYRVSA-N 0 0 163.180 1.011 10 0 ADAERN CC(C)(O)c1nc2cc[nH]cc-2n1 70819536 343532903 /nfs/dbraw/zinc/53/29/03/343532903.db2.gz JWYARCHWHJMRJZ-UHFFFAOYSA-N 0 0 177.207 1.185 10 0 ADAERN CN(C)Cc1nc2cc[nH]cc-2n1 70819524 343532929 /nfs/dbraw/zinc/53/29/29/343532929.db2.gz CAIVRNXSRQOPIL-UHFFFAOYSA-N 0 0 176.223 1.020 10 0 ADAERN C[C@@H](O)c1nc2cc[nH]cc-2n1 70819533 343533039 /nfs/dbraw/zinc/53/30/39/343533039.db2.gz PTPQNGSMOHXIPX-RXMQYKEDSA-N 0 0 163.180 1.011 10 0 ADAERN Cc1c(Cl)nnc(N(C)C)c1C 70820720 343533210 /nfs/dbraw/zinc/53/32/10/343533210.db2.gz XNBBUAFZQNWPQI-UHFFFAOYSA-N 0 0 185.658 1.813 10 0 ADAERN Cc1ccc(C)n1Cc1ncc[nH]1 70820249 343533318 /nfs/dbraw/zinc/53/33/18/343533318.db2.gz CTDLPVXYDWESLT-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN Cc1c(Cl)n[nH]c(=O)c1C 70820639 343533395 /nfs/dbraw/zinc/53/33/95/343533395.db2.gz HXZVLKYXAJTOAO-UHFFFAOYSA-N 0 0 158.588 1.452 10 0 ADAERN c1ccn(Cc2ncc[nH]2)c1 70820252 343533433 /nfs/dbraw/zinc/53/34/33/343533433.db2.gz IDKWUPPMIZSCFE-UHFFFAOYSA-N 0 0 147.181 1.260 10 0 ADAERN Nc1ncnn1Cc1ccc(F)cc1 70824064 343533679 /nfs/dbraw/zinc/53/36/79/343533679.db2.gz UTKIIQLGNJPEOM-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN C[C@@H]1CCCC[C@@]1(CC(=O)[O-])[NH+](C)C 70822299 343533720 /nfs/dbraw/zinc/53/37/20/343533720.db2.gz HLVMXTUQFQUZNO-KOLCDFICSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CC[C@](CC(=O)[O-])([NH+](C)C)C1 70822271 343533766 /nfs/dbraw/zinc/53/37/66/343533766.db2.gz OIZVKEBOCICOPJ-SCZZXKLOSA-N 0 0 185.267 1.582 10 0 ADAERN CCc1cnc(C(C)=O)s1 71026803 343549363 /nfs/dbraw/zinc/54/93/63/343549363.db2.gz GJVFGRGWBXDULK-UHFFFAOYSA-N 0 0 155.222 1.908 10 0 ADAERN C[C@H]1CC[C@@](CC(=O)[O-])([NH+](C)C)C1 70822268 343533867 /nfs/dbraw/zinc/53/38/67/343533867.db2.gz OIZVKEBOCICOPJ-WCBMZHEXSA-N 0 0 185.267 1.582 10 0 ADAERN Cc1cccc(Cn2ncnc2N)c1 70823893 343533870 /nfs/dbraw/zinc/53/38/70/343533870.db2.gz LMEALDATCHEDOQ-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN C[C@H]1CC[C@](CC(=O)[O-])([NH+](C)C)C1 70822274 343533875 /nfs/dbraw/zinc/53/38/75/343533875.db2.gz OIZVKEBOCICOPJ-WPRPVWTQSA-N 0 0 185.267 1.582 10 0 ADAERN Nc1ncnn1Cc1cccc(F)c1 70824143 343533898 /nfs/dbraw/zinc/53/38/98/343533898.db2.gz WKUYHGMLXNIPDX-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN C[C@H]1CCCC[C@@]1(CC(=O)[O-])[NH+](C)C 70822301 343533911 /nfs/dbraw/zinc/53/39/11/343533911.db2.gz HLVMXTUQFQUZNO-ONGXEEELSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@H]1CCCC[C@]1(CC(=O)[O-])[NH+](C)C 70822307 343533913 /nfs/dbraw/zinc/53/39/13/343533913.db2.gz HLVMXTUQFQUZNO-GXSJLCMTSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CC[C@@](CC(=O)[O-])([NH+](C)C)C1 70822263 343533952 /nfs/dbraw/zinc/53/39/52/343533952.db2.gz OIZVKEBOCICOPJ-PSASIEDQSA-N 0 0 185.267 1.582 10 0 ADAERN O=C([O-])CC1([NH+]2CCCC2)CCCC1 70821539 343533987 /nfs/dbraw/zinc/53/39/87/343533987.db2.gz QYNFQZJGXVCVHX-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN C[C@@H]1CCCC[C@]1(CC(=O)[O-])[NH+](C)C 70822305 343534065 /nfs/dbraw/zinc/53/40/65/343534065.db2.gz HLVMXTUQFQUZNO-MWLCHTKSSA-N 0 0 199.294 1.972 10 0 ADAERN O=C([O-])CC1([NH+]2CCCC2)CCC1 70821753 343534086 /nfs/dbraw/zinc/53/40/86/343534086.db2.gz LJBXNFMZKSHXEM-UHFFFAOYSA-N 0 0 183.251 1.480 10 0 ADAERN CCO[C@H](C)c1nc(C)c(C)c(=O)[nH]1 70827166 343534254 /nfs/dbraw/zinc/53/42/54/343534254.db2.gz OZDMFSJSRAMWIO-MRVPVSSYSA-N 0 0 196.250 1.484 10 0 ADAERN CCO[C@@H](C)c1nc(C)c(C)c(=O)[nH]1 70827160 343534292 /nfs/dbraw/zinc/53/42/92/343534292.db2.gz OZDMFSJSRAMWIO-QMMMGPOBSA-N 0 0 196.250 1.484 10 0 ADAERN CC1=CC(=O)N([C@@H]2CCC[C@@H]2C)C1=O 70832395 343534671 /nfs/dbraw/zinc/53/46/71/343534671.db2.gz BFLRPPGJCKZIPE-IONNQARKSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@H]1CCC[C@H]1N1C(=O)C=CC1=O 70832387 343534679 /nfs/dbraw/zinc/53/46/79/343534679.db2.gz WAKOHNSUVHSJPF-JGVFFNPUSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@H]1CCC[C@@H]1NC#N 70830454 343534681 /nfs/dbraw/zinc/53/46/81/343534681.db2.gz MFWVJHFNRBEAMH-BQBZGAKWSA-N 0 0 124.187 1.246 10 0 ADAERN C[C@H]1CCC[C@@H]1N1CCC(=O)C1 70831886 343534695 /nfs/dbraw/zinc/53/46/95/343534695.db2.gz SWTJWAQCSHSNQX-WPRPVWTQSA-N 0 0 167.252 1.450 10 0 ADAERN C=CC(=O)N[C@H]1CCC[C@@H]1C 70832255 343534702 /nfs/dbraw/zinc/53/47/02/343534702.db2.gz HSNPRNGIDDKOCI-YUMQZZPRSA-N 0 0 153.225 1.477 10 0 ADAERN CC1=CC(=O)N([C@H]2CCC[C@H]2C)C1=O 70832390 343534728 /nfs/dbraw/zinc/53/47/28/343534728.db2.gz BFLRPPGJCKZIPE-APPZFPTMSA-N 0 0 193.246 1.490 10 0 ADAERN C=CC(=O)N[C@H]1CCC[C@H]1C 70832252 343534735 /nfs/dbraw/zinc/53/47/35/343534735.db2.gz HSNPRNGIDDKOCI-SFYZADRCSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O 70832374 343534740 /nfs/dbraw/zinc/53/47/40/343534740.db2.gz WAKOHNSUVHSJPF-YUMQZZPRSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@H]1CCC[C@@H]1NC(N)=S 70832438 343534757 /nfs/dbraw/zinc/53/47/57/343534757.db2.gz PBXUAMAMLOXKBL-WDSKDSINSA-N 0 0 158.270 1.008 10 0 ADAERN C[C@@H]1CCC[C@H]1N1CCC(=O)C1 70831892 343534759 /nfs/dbraw/zinc/53/47/59/343534759.db2.gz SWTJWAQCSHSNQX-PSASIEDQSA-N 0 0 167.252 1.450 10 0 ADAERN CC1=CC(=O)N([C@@H]2CCC[C@H]2C)C1=O 70832393 343534782 /nfs/dbraw/zinc/53/47/82/343534782.db2.gz BFLRPPGJCKZIPE-VXNVDRBHSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@@H]1CCC[C@H]1NC#N 70830458 343534826 /nfs/dbraw/zinc/53/48/26/343534826.db2.gz MFWVJHFNRBEAMH-RNFRBKRXSA-N 0 0 124.187 1.246 10 0 ADAERN C[C@@H]1CCC[C@@H]1NC(N)=S 70832436 343534830 /nfs/dbraw/zinc/53/48/30/343534830.db2.gz PBXUAMAMLOXKBL-RITPCOANSA-N 0 0 158.270 1.008 10 0 ADAERN C[C@H]1CCC[C@H]1NC(N)=S 70832445 343534863 /nfs/dbraw/zinc/53/48/63/343534863.db2.gz PBXUAMAMLOXKBL-NTSWFWBYSA-N 0 0 158.270 1.008 10 0 ADAERN C=CC(=O)N[C@@H]1CCC[C@@H]1C 70832262 343534864 /nfs/dbraw/zinc/53/48/64/343534864.db2.gz HSNPRNGIDDKOCI-JGVFFNPUSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@@H]1CCC[C@@H]1N1CCC(=O)C1 70831882 343534866 /nfs/dbraw/zinc/53/48/66/343534866.db2.gz SWTJWAQCSHSNQX-SCZZXKLOSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@@H]1CCC[C@H]1N1C(=O)C=CC1=O 70832377 343534871 /nfs/dbraw/zinc/53/48/71/343534871.db2.gz WAKOHNSUVHSJPF-HTQZYQBOSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@@H]1CCC[C@H]1NC(N)=S 70832442 343534887 /nfs/dbraw/zinc/53/48/87/343534887.db2.gz PBXUAMAMLOXKBL-PHDIDXHHSA-N 0 0 158.270 1.008 10 0 ADAERN C[C@@H]1CCC[C@@H]1N1C(=O)C=CC1=O 70832370 343534889 /nfs/dbraw/zinc/53/48/89/343534889.db2.gz WAKOHNSUVHSJPF-SFYZADRCSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@H]1CCC[C@H]1NC#N 70830464 343534924 /nfs/dbraw/zinc/53/49/24/343534924.db2.gz MFWVJHFNRBEAMH-NKWVEPMBSA-N 0 0 124.187 1.246 10 0 ADAERN CC1=CC(=O)N([C@H]2CCC[C@@H]2C)C1=O 70832391 343534932 /nfs/dbraw/zinc/53/49/32/343534932.db2.gz BFLRPPGJCKZIPE-CBAPKCEASA-N 0 0 193.246 1.490 10 0 ADAERN C[C@@H]1CCC[C@@H]1NC#N 70830450 343534952 /nfs/dbraw/zinc/53/49/52/343534952.db2.gz MFWVJHFNRBEAMH-RQJHMYQMSA-N 0 0 124.187 1.246 10 0 ADAERN CCO[C@H](C)c1nc(Cl)n[nH]1 70833801 343535130 /nfs/dbraw/zinc/53/51/30/343535130.db2.gz AHDKHAIUVIZKBU-SCSAIBSYSA-N 0 0 175.619 1.556 10 0 ADAERN C[C@@H]1CCC[C@@H]1NC(=O)n1ccnc1 70833840 343535240 /nfs/dbraw/zinc/53/52/40/343535240.db2.gz SXSUIOHMVFZNSY-BDAKNGLRSA-N 0 0 193.250 1.629 10 0 ADAERN CCO[C@@H](C)c1noc(Cl)n1 70832782 343535243 /nfs/dbraw/zinc/53/52/43/343535243.db2.gz ZDOYWLHCNREBQI-BYPYZUCNSA-N 0 0 176.603 1.821 10 0 ADAERN C[C@@H]1CCC[C@H]1n1c(=O)[nH][nH]c1=S 70835001 343535577 /nfs/dbraw/zinc/53/55/77/343535577.db2.gz FGGMRFGGZNJPIQ-PHDIDXHHSA-N 0 0 199.279 1.595 10 0 ADAERN C[C@@H]1CCC[C@@H]1n1c(=O)[nH][nH]c1=S 70834996 343535583 /nfs/dbraw/zinc/53/55/83/343535583.db2.gz FGGMRFGGZNJPIQ-RITPCOANSA-N 0 0 199.279 1.595 10 0 ADAERN C[C@H]1CCC[C@@H]1n1c(=O)[nH][nH]c1=S 70834998 343535671 /nfs/dbraw/zinc/53/56/71/343535671.db2.gz FGGMRFGGZNJPIQ-WDSKDSINSA-N 0 0 199.279 1.595 10 0 ADAERN C[C@H]1CCC[C@H]1n1c(=O)[nH][nH]c1=S 70835004 343535676 /nfs/dbraw/zinc/53/56/76/343535676.db2.gz FGGMRFGGZNJPIQ-NTSWFWBYSA-N 0 0 199.279 1.595 10 0 ADAERN CC(C)(C)n1cnnc1Cl 71052624 343550171 /nfs/dbraw/zinc/55/01/71/343550171.db2.gz DMEGZZDHZOKZQL-UHFFFAOYSA-N 0 0 159.620 1.687 10 0 ADAERN Nc1nsc(Cc2cccs2)n1 70838815 343536327 /nfs/dbraw/zinc/53/63/27/343536327.db2.gz WLOKTHZYOBMXLM-UHFFFAOYSA-N 0 0 197.288 1.773 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(N)ns1 70838988 343536329 /nfs/dbraw/zinc/53/63/29/343536329.db2.gz SGUBJUNDIRWULG-DMTCNVIQSA-N 0 0 155.226 1.244 10 0 ADAERN Cc1ncsc1CN1CCC(=O)C1 70837057 343536363 /nfs/dbraw/zinc/53/63/63/343536363.db2.gz KNZBXAKZNXGUAF-UHFFFAOYSA-N 0 0 196.275 1.226 10 0 ADAERN Nc1nsc(Cc2ccncc2)n1 70838848 343536410 /nfs/dbraw/zinc/53/64/10/343536410.db2.gz FHZSOKIRDUGIQO-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN Cc1ccoc1-c1nc(N)ns1 70838754 343536453 /nfs/dbraw/zinc/53/64/53/343536453.db2.gz DSFPRDLZPVBVDC-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC(C)[C@H](C)c1nc(N)ns1 70838892 343536463 /nfs/dbraw/zinc/53/64/63/343536463.db2.gz VLIMZRIXWMQTGS-YFKPBYRVSA-N 0 0 171.269 1.880 10 0 ADAERN CC(C)[C@@H](C)c1nc(N)ns1 70838889 343536466 /nfs/dbraw/zinc/53/64/66/343536466.db2.gz VLIMZRIXWMQTGS-RXMQYKEDSA-N 0 0 171.269 1.880 10 0 ADAERN CCCCc1nc(N)ns1 70838953 343536559 /nfs/dbraw/zinc/53/65/59/343536559.db2.gz ORFBMGZCWXKCRP-UHFFFAOYSA-N 0 0 157.242 1.463 10 0 ADAERN CC[C@H](C)c1nc(N)ns1 70839505 343536686 /nfs/dbraw/zinc/53/66/86/343536686.db2.gz BVPJPYQLWIAFJF-BYPYZUCNSA-N 0 0 157.242 1.634 10 0 ADAERN Nc1nsc(Cc2ccccc2)n1 70839219 343536689 /nfs/dbraw/zinc/53/66/89/343536689.db2.gz ROSSFYBKRXRSDC-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN Nc1nsc([C@@H]2CCCOC2)n1 70839780 343536691 /nfs/dbraw/zinc/53/66/91/343536691.db2.gz UEHQNLQKLHZIFZ-RXMQYKEDSA-N 0 0 185.252 1.014 10 0 ADAERN Nc1nsc(CCc2ccco2)n1 70839334 343536696 /nfs/dbraw/zinc/53/66/96/343536696.db2.gz SXWMCQCNKWHFBT-UHFFFAOYSA-N 0 0 195.247 1.499 10 0 ADAERN CC[C@@H](C)c1nc(N)ns1 70839500 343536700 /nfs/dbraw/zinc/53/67/00/343536700.db2.gz BVPJPYQLWIAFJF-SCSAIBSYSA-N 0 0 157.242 1.634 10 0 ADAERN C[C@H]1C[C@H]1c1nc(N)ns1 70839001 343536712 /nfs/dbraw/zinc/53/67/12/343536712.db2.gz SGUBJUNDIRWULG-IUYQGCFVSA-N 0 0 155.226 1.244 10 0 ADAERN Nc1nsc(-c2ccncc2)n1 70839432 343536715 /nfs/dbraw/zinc/53/67/15/343536715.db2.gz WKLQQJVUBJFEGT-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(N)ns1 70838997 343536719 /nfs/dbraw/zinc/53/67/19/343536719.db2.gz SGUBJUNDIRWULG-QWWZWVQMSA-N 0 0 155.226 1.244 10 0 ADAERN Nc1nsc([C@@H]2CCCCO2)n1 70839350 343536721 /nfs/dbraw/zinc/53/67/21/343536721.db2.gz TUCHNESTHKDSRL-YFKPBYRVSA-N 0 0 185.252 1.362 10 0 ADAERN Nc1nsc(-c2ccoc2)n1 70839465 343536760 /nfs/dbraw/zinc/53/67/60/343536760.db2.gz XNXBOKOVWBMASJ-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1nsc(-c2cccs2)n1 70839728 343536770 /nfs/dbraw/zinc/53/67/70/343536770.db2.gz FCQIVHISBREYEH-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN CC(C)(C)Cc1nc(N)ns1 70839857 343536777 /nfs/dbraw/zinc/53/67/77/343536777.db2.gz QMHMEEGKMMMDHS-UHFFFAOYSA-N 0 0 171.269 1.709 10 0 ADAERN Nc1nsc([C@H]2CCCOC2)n1 70839776 343536787 /nfs/dbraw/zinc/53/67/87/343536787.db2.gz UEHQNLQKLHZIFZ-YFKPBYRVSA-N 0 0 185.252 1.014 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(N)ns1 70838993 343536800 /nfs/dbraw/zinc/53/68/00/343536800.db2.gz SGUBJUNDIRWULG-IMJSIDKUSA-N 0 0 155.226 1.244 10 0 ADAERN Cc1occc1-c1nc(N)ns1 70839647 343536817 /nfs/dbraw/zinc/53/68/17/343536817.db2.gz STGDMLDJVXLTEY-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1ccc(-c2nc(N)ns2)o1 70839722 343536825 /nfs/dbraw/zinc/53/68/25/343536825.db2.gz UENSGSBYNSLONI-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Nc1nsc(-c2ccsc2)n1 70839475 343536829 /nfs/dbraw/zinc/53/68/29/343536829.db2.gz RWAXLDCZKOSKCQ-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN Nc1nsc(C2CCC2)n1 70839884 343536848 /nfs/dbraw/zinc/53/68/48/343536848.db2.gz GQJYNVOCNUPDNC-UHFFFAOYSA-N 0 0 155.226 1.388 10 0 ADAERN Nc1nsc(CC2CCCC2)n1 70839180 343536857 /nfs/dbraw/zinc/53/68/57/343536857.db2.gz FBTDZGZYFNIGPK-UHFFFAOYSA-N 0 0 183.280 1.853 10 0 ADAERN Cc1cccnc1-c1nc(N)ns1 70839548 343536860 /nfs/dbraw/zinc/53/68/60/343536860.db2.gz QVFLDZORAVBRFX-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ccc(-c2nc(N)ns2)cn1 70839298 343536891 /nfs/dbraw/zinc/53/68/91/343536891.db2.gz APEPVFRFPMMOAZ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1nsc(Cc2ccsc2)n1 70839008 343536925 /nfs/dbraw/zinc/53/69/25/343536925.db2.gz ZLTWGXMLGGIVMV-UHFFFAOYSA-N 0 0 197.288 1.773 10 0 ADAERN Nc1nsc(CC2CC2)n1 70839608 343536926 /nfs/dbraw/zinc/53/69/26/343536926.db2.gz BJZHMLNOCABWSA-UHFFFAOYSA-N 0 0 155.226 1.073 10 0 ADAERN Nc1nsc([C@H]2CCCCO2)n1 70839356 343536946 /nfs/dbraw/zinc/53/69/46/343536946.db2.gz TUCHNESTHKDSRL-RXMQYKEDSA-N 0 0 185.252 1.362 10 0 ADAERN Cc1cccc(-c2nc(N)ns2)n1 70839807 343536948 /nfs/dbraw/zinc/53/69/48/343536948.db2.gz AIMUXFWAYOLCOW-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCC(C)(C)c1nc(N)ns1 70839741 343536951 /nfs/dbraw/zinc/53/69/51/343536951.db2.gz JAIWWASBCTYZQR-UHFFFAOYSA-N 0 0 171.269 1.808 10 0 ADAERN CC(C)CCc1nc(N)ns1 70839331 343536956 /nfs/dbraw/zinc/53/69/56/343536956.db2.gz PEQUSUYOGJUMRS-UHFFFAOYSA-N 0 0 171.269 1.709 10 0 ADAERN Cc1ncsc1-c1nc(N)ns1 70839436 343536965 /nfs/dbraw/zinc/53/69/65/343536965.db2.gz CBHDOHWZJJKBGV-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN CC(C)Cc1nc(N)ns1 70839384 343536972 /nfs/dbraw/zinc/53/69/72/343536972.db2.gz KCVZDHZHAMGXRK-UHFFFAOYSA-N 0 0 157.242 1.319 10 0 ADAERN CCc1nc([C@@H](C)O)cs1 70843418 343537192 /nfs/dbraw/zinc/53/71/92/343537192.db2.gz BNGAILJVAGBTEX-RXMQYKEDSA-N 0 0 157.238 1.759 10 0 ADAERN CCc1nc([C@H](C)O)cs1 70843425 343537448 /nfs/dbraw/zinc/53/74/48/343537448.db2.gz BNGAILJVAGBTEX-YFKPBYRVSA-N 0 0 157.238 1.759 10 0 ADAERN COCc1nc([C@H](C)O)cs1 70843911 343537731 /nfs/dbraw/zinc/53/77/31/343537731.db2.gz OJUFWVGHNSWNQP-YFKPBYRVSA-N 0 0 173.237 1.343 10 0 ADAERN COCc1nc([C@@H](C)O)cs1 70843915 343537781 /nfs/dbraw/zinc/53/77/81/343537781.db2.gz OJUFWVGHNSWNQP-RXMQYKEDSA-N 0 0 173.237 1.343 10 0 ADAERN Nc1ccccc1NC[C@@H](O)C1CC1 70881982 343537982 /nfs/dbraw/zinc/53/79/82/343537982.db2.gz WTQKAGYXHKQQSB-LLVKDONJSA-N 0 0 192.262 1.452 10 0 ADAERN C[C@@H]1C[C@@H]1n1c(N)n[nH]c1=S 70882066 343538004 /nfs/dbraw/zinc/53/80/04/343538004.db2.gz KPZUUPQPSAHZGJ-DMTCNVIQSA-N 0 0 170.241 1.104 10 0 ADAERN Nc1ccccc1NC[C@H](O)C1CC1 70881975 343538077 /nfs/dbraw/zinc/53/80/77/343538077.db2.gz WTQKAGYXHKQQSB-NSHDSACASA-N 0 0 192.262 1.452 10 0 ADAERN C[C@H](C1CC1)n1c(N)n[nH]c1=S 70881566 343538083 /nfs/dbraw/zinc/53/80/83/343538083.db2.gz KSIITPVYQIFSQP-SCSAIBSYSA-N 0 0 184.268 1.494 10 0 ADAERN Nc1n[nH]c(=S)n1CC1CCC1 70881478 343538093 /nfs/dbraw/zinc/53/80/93/343538093.db2.gz WXYXDVCQMIYVIS-UHFFFAOYSA-N 0 0 184.268 1.323 10 0 ADAERN C[C@@H](C1CC1)n1c(N)n[nH]c1=S 70881560 343538101 /nfs/dbraw/zinc/53/81/01/343538101.db2.gz KSIITPVYQIFSQP-BYPYZUCNSA-N 0 0 184.268 1.494 10 0 ADAERN CC[C@H](C)n1c(N)n[nH]c1=S 70881178 343538137 /nfs/dbraw/zinc/53/81/37/343538137.db2.gz ADRVZISYGIMEDK-BYPYZUCNSA-N 0 0 172.257 1.494 10 0 ADAERN CC(C)[C@@H](C)n1c(N)n[nH]c1=S 70880767 343538184 /nfs/dbraw/zinc/53/81/84/343538184.db2.gz BYNDGLQNCJCLMH-RXMQYKEDSA-N 0 0 186.284 1.740 10 0 ADAERN Nc1n[nH]c(=S)n1Cc1ccco1 70881166 343538226 /nfs/dbraw/zinc/53/82/26/343538226.db2.gz YBCIJHUBORGMDF-UHFFFAOYSA-N 0 0 196.235 1.164 10 0 ADAERN Nc1n[nH]c(=S)n1C1CCCC1 70881248 343538238 /nfs/dbraw/zinc/53/82/38/343538238.db2.gz ZQIDSLKJMPTJMD-UHFFFAOYSA-N 0 0 184.268 1.638 10 0 ADAERN C[C@H]1C[C@H]1n1c(N)n[nH]c1=S 70882089 343538264 /nfs/dbraw/zinc/53/82/64/343538264.db2.gz KPZUUPQPSAHZGJ-IUYQGCFVSA-N 0 0 170.241 1.104 10 0 ADAERN CC(C)CCn1c(N)n[nH]c1=S 70881052 343538311 /nfs/dbraw/zinc/53/83/11/343538311.db2.gz FJNWOMBVKNTNSJ-UHFFFAOYSA-N 0 0 186.284 1.569 10 0 ADAERN CC(C)(C)n1c(N)n[nH]c1=S 70880991 343538330 /nfs/dbraw/zinc/53/83/30/343538330.db2.gz RWYKTDBOYRZAAV-UHFFFAOYSA-N 0 0 172.257 1.278 10 0 ADAERN Nc1n[nH]c(=S)n1C1CCC1 70882060 343538337 /nfs/dbraw/zinc/53/83/37/343538337.db2.gz DNTKAWSLKOSMNV-UHFFFAOYSA-N 0 0 170.241 1.248 10 0 ADAERN CCC(CC)n1c(N)n[nH]c1=S 70881253 343538346 /nfs/dbraw/zinc/53/83/46/343538346.db2.gz VZZKXEOYHHJSAJ-UHFFFAOYSA-N 0 0 186.284 1.884 10 0 ADAERN CCC(C)(C)n1c(N)n[nH]c1=S 70881274 343538370 /nfs/dbraw/zinc/53/83/70/343538370.db2.gz CZENBKDUHUTJKR-UHFFFAOYSA-N 0 0 186.284 1.668 10 0 ADAERN CC[C@@H](C)n1c(N)n[nH]c1=S 70881173 343538380 /nfs/dbraw/zinc/53/83/80/343538380.db2.gz ADRVZISYGIMEDK-SCSAIBSYSA-N 0 0 172.257 1.494 10 0 ADAERN Nc1n[nH]c(=S)n1CC(F)(F)F 70881140 343538413 /nfs/dbraw/zinc/53/84/13/343538413.db2.gz ZCDRAAFWCLUNCA-UHFFFAOYSA-N 0 0 198.173 1.085 10 0 ADAERN C[C@H]1C[C@@H]1n1c(N)n[nH]c1=S 70882076 343538430 /nfs/dbraw/zinc/53/84/30/343538430.db2.gz KPZUUPQPSAHZGJ-IMJSIDKUSA-N 0 0 170.241 1.104 10 0 ADAERN CC(C)[C@H](C)n1c(N)n[nH]c1=S 70880776 343538433 /nfs/dbraw/zinc/53/84/33/343538433.db2.gz BYNDGLQNCJCLMH-YFKPBYRVSA-N 0 0 186.284 1.740 10 0 ADAERN C[C@@H]1C[C@H]1n1c(N)n[nH]c1=S 70882082 343538440 /nfs/dbraw/zinc/53/84/40/343538440.db2.gz KPZUUPQPSAHZGJ-QWWZWVQMSA-N 0 0 170.241 1.104 10 0 ADAERN Nc1n[nH]c(=S)n1CC1CCCC1 70881492 343538446 /nfs/dbraw/zinc/53/84/46/343538446.db2.gz OBZUKXHXQLUODY-UHFFFAOYSA-N 0 0 198.295 1.713 10 0 ADAERN CC1(C)C[C@@H]1n1c(N)n[nH]c1=S 70882749 343538579 /nfs/dbraw/zinc/53/85/79/343538579.db2.gz OEDOSTZSPNLJQR-BYPYZUCNSA-N 0 0 184.268 1.494 10 0 ADAERN C[C@@H](CC1CC1)n1c(N)n[nH]c1=S 70882207 343538740 /nfs/dbraw/zinc/53/87/40/343538740.db2.gz GVCCRONEZQLXGK-YFKPBYRVSA-N 0 0 198.295 1.884 10 0 ADAERN CC1(C)C[C@H]1n1c(N)n[nH]c1=S 70882753 343538759 /nfs/dbraw/zinc/53/87/59/343538759.db2.gz OEDOSTZSPNLJQR-SCSAIBSYSA-N 0 0 184.268 1.494 10 0 ADAERN C[C@H](CC1CC1)n1c(N)n[nH]c1=S 70882210 343538765 /nfs/dbraw/zinc/53/87/65/343538765.db2.gz GVCCRONEZQLXGK-RXMQYKEDSA-N 0 0 198.295 1.884 10 0 ADAERN C[C@@H]1CCC[C@H]1n1c(N)n[nH]c1=S 70882232 343538825 /nfs/dbraw/zinc/53/88/25/343538825.db2.gz ODQBAIIGILAJKV-PHDIDXHHSA-N 0 0 198.295 1.884 10 0 ADAERN C[C@H]1CCC[C@H]1n1c(N)n[nH]c1=S 70882238 343538844 /nfs/dbraw/zinc/53/88/44/343538844.db2.gz ODQBAIIGILAJKV-NTSWFWBYSA-N 0 0 198.295 1.884 10 0 ADAERN C[C@H]1CCC[C@@H]1n1c(N)n[nH]c1=S 70882229 343538903 /nfs/dbraw/zinc/53/89/03/343538903.db2.gz ODQBAIIGILAJKV-WDSKDSINSA-N 0 0 198.295 1.884 10 0 ADAERN C=CC(=O)Nc1nc(C(C)=O)cs1 70885416 343538943 /nfs/dbraw/zinc/53/89/43/343538943.db2.gz FJCMHMMZWMZPSK-UHFFFAOYSA-N 0 0 196.231 1.470 10 0 ADAERN CC(C)(C)Cn1c(N)n[nH]c1=S 70882462 343538952 /nfs/dbraw/zinc/53/89/52/343538952.db2.gz QMGZIPQYRZZQGJ-UHFFFAOYSA-N 0 0 186.284 1.569 10 0 ADAERN CC[C@](C)(CO)Nc1cccc(C)n1 70889102 343539284 /nfs/dbraw/zinc/53/92/84/343539284.db2.gz JKXPUPGASGOEGW-LLVKDONJSA-N 0 0 194.278 1.963 10 0 ADAERN CC[C@@](C)(CO)Nc1cccc(C)n1 70889098 343539336 /nfs/dbraw/zinc/53/93/36/343539336.db2.gz JKXPUPGASGOEGW-NSHDSACASA-N 0 0 194.278 1.963 10 0 ADAERN CC[C@@](C)(CO)Nc1ncccc1F 70889222 343539393 /nfs/dbraw/zinc/53/93/93/343539393.db2.gz MKHMXUXXSXPHDY-JTQLQIEISA-N 0 0 198.241 1.794 10 0 ADAERN CC[C@](C)(CO)Nc1ncccc1F 70889229 343539404 /nfs/dbraw/zinc/53/94/04/343539404.db2.gz MKHMXUXXSXPHDY-SNVBAGLBSA-N 0 0 198.241 1.794 10 0 ADAERN CC[C@@](C)(CO)Nc1ncccc1C 70889385 343539471 /nfs/dbraw/zinc/53/94/71/343539471.db2.gz YNFGWPOZTKRTDF-NSHDSACASA-N 0 0 194.278 1.963 10 0 ADAERN CC[C@@](C)(CO)Nc1ccc(N)cn1 70895549 343539873 /nfs/dbraw/zinc/53/98/73/343539873.db2.gz RXYMCABPJRTELD-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN CC[C@@](C)(CO)Nc1ncccc1N 70895458 343539971 /nfs/dbraw/zinc/53/99/71/343539971.db2.gz LAVWNQHRVTTZPH-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN CC[C@](C)(CO)Nc1cccc(N)c1 70895685 343540017 /nfs/dbraw/zinc/54/00/17/343540017.db2.gz MSRVMOMSXFSQIG-LLVKDONJSA-N 0 0 194.278 1.842 10 0 ADAERN CC[C@](C)(CO)Nc1ccc(N)cn1 70895554 343540023 /nfs/dbraw/zinc/54/00/23/343540023.db2.gz RXYMCABPJRTELD-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN CC[C@@](C)(CO)Nc1cccc(N)c1 70895682 343540050 /nfs/dbraw/zinc/54/00/50/343540050.db2.gz MSRVMOMSXFSQIG-NSHDSACASA-N 0 0 194.278 1.842 10 0 ADAERN CC[C@](C)(CO)Nc1ncccc1N 70895467 343540136 /nfs/dbraw/zinc/54/01/36/343540136.db2.gz LAVWNQHRVTTZPH-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN CC[C@@](C)(CO)Nc1cccc(F)n1 70898100 343540578 /nfs/dbraw/zinc/54/05/78/343540578.db2.gz ZRFWLPDAVBTMDM-JTQLQIEISA-N 0 0 198.241 1.794 10 0 ADAERN CC[C@](C)(CO)Nc1cccc(F)n1 70898107 343540639 /nfs/dbraw/zinc/54/06/39/343540639.db2.gz ZRFWLPDAVBTMDM-SNVBAGLBSA-N 0 0 198.241 1.794 10 0 ADAERN Cn1nccc1Cn1cccc1C=O 70905966 343540762 /nfs/dbraw/zinc/54/07/62/343540762.db2.gz YIAVORKWRBRQTD-UHFFFAOYSA-N 0 0 189.218 1.082 10 0 ADAERN Cn1nccc1Cn1cc[nH]c1=S 70905472 343541068 /nfs/dbraw/zinc/54/10/68/343541068.db2.gz YMJJPKDTHQRFJA-UHFFFAOYSA-N 0 0 194.263 1.327 10 0 ADAERN Cc1ccc(C)n1Cc1ccnn1C 70905977 343541213 /nfs/dbraw/zinc/54/12/13/343541213.db2.gz NKACIMHSQBVACT-UHFFFAOYSA-N 0 0 189.262 1.887 10 0 ADAERN C=CC(=O)NCc1ncccc1C 70909116 343541639 /nfs/dbraw/zinc/54/16/39/343541639.db2.gz ZCGGFKFRMBVOPN-UHFFFAOYSA-N 0 0 176.219 1.192 10 0 ADAERN Cc1csc(NC[C@H](O)C2CC2)n1 70917352 343541725 /nfs/dbraw/zinc/54/17/25/343541725.db2.gz GMRCWPRXDFTHQO-QMMMGPOBSA-N 0 0 198.291 1.634 10 0 ADAERN Cc1csc(NC[C@@H](O)C2CC2)n1 70917355 343541742 /nfs/dbraw/zinc/54/17/42/343541742.db2.gz GMRCWPRXDFTHQO-MRVPVSSYSA-N 0 0 198.291 1.634 10 0 ADAERN CCC(=O)Cn1c(C)c(C)sc1=O 70915320 343541887 /nfs/dbraw/zinc/54/18/87/343541887.db2.gz XHEMQGYTFOHMLD-UHFFFAOYSA-N 0 0 199.275 1.506 10 0 ADAERN OC1(CCC(F)(F)F)CCOCC1 70917023 343541935 /nfs/dbraw/zinc/54/19/35/343541935.db2.gz AQTUMEDFVNKLPW-UHFFFAOYSA-N 0 0 198.184 1.870 10 0 ADAERN O[C@]1(CCC(F)(F)F)CCOC1 70917036 343542018 /nfs/dbraw/zinc/54/20/18/343542018.db2.gz ZNDSZPMXDDMPAK-ZCFIWIBFSA-N 0 0 184.157 1.480 10 0 ADAERN CC(=O)Cn1c(C)c(C)sc1=O 70915303 343542054 /nfs/dbraw/zinc/54/20/54/343542054.db2.gz FNPDWPJHMZEZBM-UHFFFAOYSA-N 0 0 185.248 1.116 10 0 ADAERN CC1(N2CCNCC2=O)CCCCC1 70937259 343542566 /nfs/dbraw/zinc/54/25/66/343542566.db2.gz WGNSGOHUWURDML-UHFFFAOYSA-N 0 0 196.294 1.141 10 0 ADAERN Cc1nc(CNC2CC2)nc(C)c1C 70949097 343543558 /nfs/dbraw/zinc/54/35/58/343543558.db2.gz OARMTUIHJNOCLE-UHFFFAOYSA-N 0 0 191.278 1.654 10 0 ADAERN CNc1nc(C)cc(C2CC2)n1 70950644 343543618 /nfs/dbraw/zinc/54/36/18/343543618.db2.gz HXFQDCDVTOBBAH-UHFFFAOYSA-N 0 0 163.224 1.704 10 0 ADAERN C[NH2+][C@](C)(C(=O)[O-])C1CCCCC1 70953436 343543806 /nfs/dbraw/zinc/54/38/06/343543806.db2.gz BLDWNMNXGWJGLR-JTQLQIEISA-N 0 0 185.267 1.629 10 0 ADAERN C[NH2+][C@@](C)(C(=O)[O-])C1CCCCC1 70953431 343543864 /nfs/dbraw/zinc/54/38/64/343543864.db2.gz BLDWNMNXGWJGLR-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN CCc1cc(C2CC2)nc(NC)n1 70952375 343543913 /nfs/dbraw/zinc/54/39/13/343543913.db2.gz FUOFEAJACXMGIJ-UHFFFAOYSA-N 0 0 177.251 1.958 10 0 ADAERN Nc1nc(C2CC2)cc(C2CC2)n1 70952358 343543985 /nfs/dbraw/zinc/54/39/85/343543985.db2.gz VTNGJLKUAKXBRK-UHFFFAOYSA-N 0 0 175.235 1.814 10 0 ADAERN C[S@@](=O)Cc1c(N)cccc1F 70962025 343544771 /nfs/dbraw/zinc/54/47/71/343544771.db2.gz XNSRQICSUZCCCJ-LBPRGKRZSA-N 0 0 187.239 1.286 10 0 ADAERN C[S@](=O)Cc1c(N)cccc1F 70962028 343544810 /nfs/dbraw/zinc/54/48/10/343544810.db2.gz XNSRQICSUZCCCJ-GFCCVEGCSA-N 0 0 187.239 1.286 10 0 ADAERN O[C@]1(c2cccc(F)c2)CCOC1 70963105 343544815 /nfs/dbraw/zinc/54/48/15/343544815.db2.gz GWXWHPJPZLWRIO-SNVBAGLBSA-N 0 0 182.194 1.434 10 0 ADAERN Cc1cccc([C@]2(O)CCOC2)c1 70963053 343544867 /nfs/dbraw/zinc/54/48/67/343544867.db2.gz WVXVRTJUNZDBHM-NSHDSACASA-N 0 0 178.231 1.603 10 0 ADAERN Cc1ccncc1N1CN=NC1=S 70958983 343544870 /nfs/dbraw/zinc/54/48/70/343544870.db2.gz IGXPVCHTZBSEPJ-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN Cc1ccncc1-n1cccc1C=O 70959055 343544880 /nfs/dbraw/zinc/54/48/80/343544880.db2.gz YRFIYKCASHYDPX-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN COc1ccc([C@]2(O)CCOC2)cc1 70963134 343545174 /nfs/dbraw/zinc/54/51/74/343545174.db2.gz SBZMNRZAIBCWAB-NSHDSACASA-N 0 0 194.230 1.303 10 0 ADAERN Cc1ccc(F)c([C@@]2(O)CCOC2)c1 70963667 343545179 /nfs/dbraw/zinc/54/51/79/343545179.db2.gz AUZJDYPWKWDKBI-LLVKDONJSA-N 0 0 196.221 1.742 10 0 ADAERN O[C@]1(c2ccc(Cl)cc2)CCOC1 70963521 343545182 /nfs/dbraw/zinc/54/51/82/343545182.db2.gz IUJXWQNBALXSAV-SNVBAGLBSA-N 0 0 198.649 1.948 10 0 ADAERN COc1cccc([C@]2(O)CCOC2)c1 70963629 343545188 /nfs/dbraw/zinc/54/51/88/343545188.db2.gz QUIHOCYYMJYSSP-NSHDSACASA-N 0 0 194.230 1.303 10 0 ADAERN Clc1ncccc1N[C@H]1CCOC1 70966186 343545191 /nfs/dbraw/zinc/54/51/91/343545191.db2.gz ORLNIDLUTCTDLF-ZETCQYMHSA-N 0 0 198.653 1.936 10 0 ADAERN Cc1ccc(F)cc1[C@]1(O)CCOC1 70963432 343545194 /nfs/dbraw/zinc/54/51/94/343545194.db2.gz HVIYZDHVIZOCQD-NSHDSACASA-N 0 0 196.221 1.742 10 0 ADAERN COc1cccc([C@@]2(O)CCOC2)c1 70963633 343545205 /nfs/dbraw/zinc/54/52/05/343545205.db2.gz QUIHOCYYMJYSSP-LLVKDONJSA-N 0 0 194.230 1.303 10 0 ADAERN Cc1cc([C@]2(O)CCOC2)ccc1F 70963464 343545208 /nfs/dbraw/zinc/54/52/08/343545208.db2.gz ZBWBIWXJJQTHCX-NSHDSACASA-N 0 0 196.221 1.742 10 0 ADAERN Cc1ccc(F)cc1[C@@]1(O)CCOC1 70963435 343545214 /nfs/dbraw/zinc/54/52/14/343545214.db2.gz HVIYZDHVIZOCQD-LLVKDONJSA-N 0 0 196.221 1.742 10 0 ADAERN O[C@@]1(c2ccc(F)cc2)CCOC1 70963643 343545415 /nfs/dbraw/zinc/54/54/15/343545415.db2.gz PBJDLZVUZJXYPY-JTQLQIEISA-N 0 0 182.194 1.434 10 0 ADAERN O[C@@]1(Cc2cccc(F)c2)CCOC1 70963150 343545265 /nfs/dbraw/zinc/54/52/65/343545265.db2.gz KAJBWILWPAFQHE-LLVKDONJSA-N 0 0 196.221 1.520 10 0 ADAERN Cc1cc(F)ccc1[C@@]1(O)CCOC1 70963455 343545269 /nfs/dbraw/zinc/54/52/69/343545269.db2.gz DEPUBVZRNCTOQY-LLVKDONJSA-N 0 0 196.221 1.742 10 0 ADAERN O[C@@]1(Cc2ccccc2)CCOC1 70963592 343545271 /nfs/dbraw/zinc/54/52/71/343545271.db2.gz CWRPWMAOPSGTQU-LLVKDONJSA-N 0 0 178.231 1.381 10 0 ADAERN Oc1cccc(N[C@@H]2CCOC2)c1 70965006 343545281 /nfs/dbraw/zinc/54/52/81/343545281.db2.gz OGUVSDMQCGWVDW-SECBINFHSA-N 0 0 179.219 1.593 10 0 ADAERN CCc1ccc([C@@]2(O)CCOC2)cc1 70963281 343545296 /nfs/dbraw/zinc/54/52/96/343545296.db2.gz VPWIFFYUHNZXOI-GFCCVEGCSA-N 0 0 192.258 1.857 10 0 ADAERN O[C@@]1(c2ccc(Cl)cc2)CCOC1 70963517 343545310 /nfs/dbraw/zinc/54/53/10/343545310.db2.gz IUJXWQNBALXSAV-JTQLQIEISA-N 0 0 198.649 1.948 10 0 ADAERN COc1ccc([C@@]2(O)CCOC2)cc1 70963138 343545356 /nfs/dbraw/zinc/54/53/56/343545356.db2.gz SBZMNRZAIBCWAB-LLVKDONJSA-N 0 0 194.230 1.303 10 0 ADAERN O[C@]1(Cc2cccc(F)c2)CCOC1 70963152 343545358 /nfs/dbraw/zinc/54/53/58/343545358.db2.gz KAJBWILWPAFQHE-NSHDSACASA-N 0 0 196.221 1.520 10 0 ADAERN Oc1cccc(N[C@H]2CCOC2)c1 70965010 343545378 /nfs/dbraw/zinc/54/53/78/343545378.db2.gz OGUVSDMQCGWVDW-VIFPVBQESA-N 0 0 179.219 1.593 10 0 ADAERN CCc1ccc([C@]2(O)CCOC2)cc1 70963278 343545385 /nfs/dbraw/zinc/54/53/85/343545385.db2.gz VPWIFFYUHNZXOI-LBPRGKRZSA-N 0 0 192.258 1.857 10 0 ADAERN Cc1ccc(C)c([C@]2(O)CCOC2)c1 70963259 343545397 /nfs/dbraw/zinc/54/53/97/343545397.db2.gz RGXQDZHVQJNAAH-LBPRGKRZSA-N 0 0 192.258 1.911 10 0 ADAERN Cc1ccc(F)c([C@]2(O)CCOC2)c1 70963664 343545399 /nfs/dbraw/zinc/54/53/99/343545399.db2.gz AUZJDYPWKWDKBI-NSHDSACASA-N 0 0 196.221 1.742 10 0 ADAERN Cc1cc([C@@]2(O)CCOC2)ccc1F 70963471 343545401 /nfs/dbraw/zinc/54/54/01/343545401.db2.gz ZBWBIWXJJQTHCX-LLVKDONJSA-N 0 0 196.221 1.742 10 0 ADAERN Cc1cc(F)ccc1[C@]1(O)CCOC1 70963448 343545405 /nfs/dbraw/zinc/54/54/05/343545405.db2.gz DEPUBVZRNCTOQY-NSHDSACASA-N 0 0 196.221 1.742 10 0 ADAERN O[C@]1(c2ccc(F)cc2)CCOC1 70963647 343545407 /nfs/dbraw/zinc/54/54/07/343545407.db2.gz PBJDLZVUZJXYPY-SNVBAGLBSA-N 0 0 182.194 1.434 10 0 ADAERN O[C@]1(Cc2ccccc2)CCOC1 70963599 343545409 /nfs/dbraw/zinc/54/54/09/343545409.db2.gz CWRPWMAOPSGTQU-NSHDSACASA-N 0 0 178.231 1.381 10 0 ADAERN Clc1ncccc1N[C@@H]1CCOC1 70966184 343545417 /nfs/dbraw/zinc/54/54/17/343545417.db2.gz ORLNIDLUTCTDLF-SSDOTTSWSA-N 0 0 198.653 1.936 10 0 ADAERN Cc1ccc(C)c([C@@]2(O)CCOC2)c1 70963266 343545419 /nfs/dbraw/zinc/54/54/19/343545419.db2.gz RGXQDZHVQJNAAH-GFCCVEGCSA-N 0 0 192.258 1.911 10 0 ADAERN Oc1ccc(N[C@H]2CCOC2)cc1 70967079 343545785 /nfs/dbraw/zinc/54/57/85/343545785.db2.gz KDEBDBYLMFPTDI-VIFPVBQESA-N 0 0 179.219 1.593 10 0 ADAERN OCc1ccccc1N[C@@H]1CCOC1 70967084 343545882 /nfs/dbraw/zinc/54/58/82/343545882.db2.gz PYOYMKVJYHEOLN-SNVBAGLBSA-N 0 0 193.246 1.380 10 0 ADAERN OCc1ccccc1N[C@H]1CCOC1 70967088 343545898 /nfs/dbraw/zinc/54/58/98/343545898.db2.gz PYOYMKVJYHEOLN-JTQLQIEISA-N 0 0 193.246 1.380 10 0 ADAERN Oc1ccc(N[C@@H]2CCOC2)cc1 70967076 343545941 /nfs/dbraw/zinc/54/59/41/343545941.db2.gz KDEBDBYLMFPTDI-SECBINFHSA-N 0 0 179.219 1.593 10 0 ADAERN Nc1c(Cl)cnn1[C@@H]1CCOC1 70969765 343546203 /nfs/dbraw/zinc/54/62/03/343546203.db2.gz LUWSEAAYINMNOC-RXMQYKEDSA-N 0 0 187.630 1.080 10 0 ADAERN Nc1c(Cl)cnn1[C@H]1CCOC1 70969769 343546335 /nfs/dbraw/zinc/54/63/35/343546335.db2.gz LUWSEAAYINMNOC-YFKPBYRVSA-N 0 0 187.630 1.080 10 0 ADAERN CC(=O)NCc1cc(C)oc1C 70969672 343546410 /nfs/dbraw/zinc/54/64/10/343546410.db2.gz BHTKZLKRVSHMBL-UHFFFAOYSA-N 0 0 167.208 1.533 10 0 ADAERN CC(C)c1noc([C@@H](C)[C@H](C)O)n1 70998261 343547183 /nfs/dbraw/zinc/54/71/83/343547183.db2.gz JPTSITHXZKBQRC-BQBZGAKWSA-N 0 0 184.239 1.677 10 0 ADAERN CCc1noc([C@@H](C)[C@H](C)O)n1 70998511 343547203 /nfs/dbraw/zinc/54/72/03/343547203.db2.gz XUYJBBUVEFWBQI-WDSKDSINSA-N 0 0 170.212 1.116 10 0 ADAERN CC(C)c1noc([C@H](C)[C@@H](C)O)n1 70998257 343547205 /nfs/dbraw/zinc/54/72/05/343547205.db2.gz JPTSITHXZKBQRC-RNFRBKRXSA-N 0 0 184.239 1.677 10 0 ADAERN CCc1noc([C@@H]2CCC[C@@H]2O)n1 70998418 343547210 /nfs/dbraw/zinc/54/72/10/343547210.db2.gz ZTGXLYUFOBXLBX-RQJHMYQMSA-N 0 0 182.223 1.260 10 0 ADAERN O[C@H]1CCC[C@@H]1c1nc(C2CC2)no1 70998305 343547214 /nfs/dbraw/zinc/54/72/14/343547214.db2.gz ZSJCLTJXTPQSCE-YUMQZZPRSA-N 0 0 194.234 1.575 10 0 ADAERN CCc1nc(N)c2c(n1)CCCCC2 71002705 343547217 /nfs/dbraw/zinc/54/72/17/343547217.db2.gz DQGNXPADXCPUFD-UHFFFAOYSA-N 0 0 191.278 1.890 10 0 ADAERN CCc1noc([C@@H](C)[C@@H](C)O)n1 70998505 343547224 /nfs/dbraw/zinc/54/72/24/343547224.db2.gz XUYJBBUVEFWBQI-NTSWFWBYSA-N 0 0 170.212 1.116 10 0 ADAERN O[C@H]1CCC[C@H]1c1nc(C2CC2)no1 70998309 343547229 /nfs/dbraw/zinc/54/72/29/343547229.db2.gz ZSJCLTJXTPQSCE-SFYZADRCSA-N 0 0 194.234 1.575 10 0 ADAERN CNc1nc2c(c(=O)[nH]1)CCCCC2 71002664 343547235 /nfs/dbraw/zinc/54/72/35/343547235.db2.gz YAXFHRXXFZJECI-UHFFFAOYSA-N 0 0 193.250 1.081 10 0 ADAERN O[C@@H]1CCC[C@@H]1c1nc(C2CC2)no1 70998300 343547243 /nfs/dbraw/zinc/54/72/43/343547243.db2.gz ZSJCLTJXTPQSCE-JGVFFNPUSA-N 0 0 194.234 1.575 10 0 ADAERN CCc1noc([C@@H]2CCCC[C@H]2O)n1 70998484 343547259 /nfs/dbraw/zinc/54/72/59/343547259.db2.gz ZYYGETSFJUBSCQ-HTQZYQBOSA-N 0 0 196.250 1.651 10 0 ADAERN CC(C)c1noc([C@@H](C)[C@@H](C)O)n1 70998256 343547275 /nfs/dbraw/zinc/54/72/75/343547275.db2.gz JPTSITHXZKBQRC-NKWVEPMBSA-N 0 0 184.239 1.677 10 0 ADAERN CCc1noc([C@H](C)[C@@H](C)O)n1 70998508 343547295 /nfs/dbraw/zinc/54/72/95/343547295.db2.gz XUYJBBUVEFWBQI-PHDIDXHHSA-N 0 0 170.212 1.116 10 0 ADAERN CCc1noc([C@H]2CCC[C@@H]2O)n1 70998421 343547309 /nfs/dbraw/zinc/54/73/09/343547309.db2.gz ZTGXLYUFOBXLBX-BQBZGAKWSA-N 0 0 182.223 1.260 10 0 ADAERN CC(C)c1noc([C@H](C)[C@H](C)O)n1 70998263 343547313 /nfs/dbraw/zinc/54/73/13/343547313.db2.gz JPTSITHXZKBQRC-RQJHMYQMSA-N 0 0 184.239 1.677 10 0 ADAERN CCc1noc([C@H]2CCCC[C@H]2O)n1 70998486 343547320 /nfs/dbraw/zinc/54/73/20/343547320.db2.gz ZYYGETSFJUBSCQ-JGVFFNPUSA-N 0 0 196.250 1.651 10 0 ADAERN CCc1noc([C@@H]2CCC[C@H]2O)n1 70998423 343547324 /nfs/dbraw/zinc/54/73/24/343547324.db2.gz ZTGXLYUFOBXLBX-RNFRBKRXSA-N 0 0 182.223 1.260 10 0 ADAERN CCc1noc([C@@H]2CCCC[C@@H]2O)n1 70998477 343547350 /nfs/dbraw/zinc/54/73/50/343547350.db2.gz ZYYGETSFJUBSCQ-SFYZADRCSA-N 0 0 196.250 1.651 10 0 ADAERN CCc1noc([C@H]2CCC[C@H]2O)n1 70998424 343547354 /nfs/dbraw/zinc/54/73/54/343547354.db2.gz ZTGXLYUFOBXLBX-NKWVEPMBSA-N 0 0 182.223 1.260 10 0 ADAERN Cc1nc(N)c2c(n1)CCCCC2 71002703 343547381 /nfs/dbraw/zinc/54/73/81/343547381.db2.gz AQXVGIIRZFZCIQ-UHFFFAOYSA-N 0 0 177.251 1.636 10 0 ADAERN CCc1noc(C2CCC(O)CC2)n1 70998503 343547386 /nfs/dbraw/zinc/54/73/86/343547386.db2.gz HTXVKIOTXJVFFX-UHFFFAOYSA-N 0 0 196.250 1.651 10 0 ADAERN CCc1noc([C@H]2CCCC[C@@H]2O)n1 70998481 343547390 /nfs/dbraw/zinc/54/73/90/343547390.db2.gz ZYYGETSFJUBSCQ-YUMQZZPRSA-N 0 0 196.250 1.651 10 0 ADAERN CCc1noc([C@H](C)[C@H](C)O)n1 70998513 343547398 /nfs/dbraw/zinc/54/73/98/343547398.db2.gz XUYJBBUVEFWBQI-RITPCOANSA-N 0 0 170.212 1.116 10 0 ADAERN O=C(Cc1nccs1)C1CC1 71002945 343547654 /nfs/dbraw/zinc/54/76/54/343547654.db2.gz UWAVOAHEGZYTKU-UHFFFAOYSA-N 0 0 167.233 1.665 10 0 ADAERN Cc1ccc(C[C@@H](O)C2CC2)nc1 71005202 343547658 /nfs/dbraw/zinc/54/76/58/343547658.db2.gz NJYQBCQZFNYGTM-LLVKDONJSA-N 0 0 177.247 1.703 10 0 ADAERN CNC(=O)c1ccc(N)c(SC)c1 71010272 343547698 /nfs/dbraw/zinc/54/76/98/343547698.db2.gz ADPCORZXRKIVFD-UHFFFAOYSA-N 0 0 196.275 1.350 10 0 ADAERN O[C@@H](Cc1ccncc1)C1CC1 71005217 343547703 /nfs/dbraw/zinc/54/77/03/343547703.db2.gz QVHCPRAAVAQTAB-JTQLQIEISA-N 0 0 163.220 1.395 10 0 ADAERN Cc1ccc(C[C@H](O)C2CC2)nc1 71005199 343547705 /nfs/dbraw/zinc/54/77/05/343547705.db2.gz NJYQBCQZFNYGTM-NSHDSACASA-N 0 0 177.247 1.703 10 0 ADAERN CNc1cc(C(=O)N(C)C)ccc1N 71010294 343547742 /nfs/dbraw/zinc/54/77/42/343547742.db2.gz AFZZFDHPRGZWMX-UHFFFAOYSA-N 0 0 193.250 1.012 10 0 ADAERN Cc1csc(CC(=O)C2CC2)n1 71002947 343547756 /nfs/dbraw/zinc/54/77/56/343547756.db2.gz FUBZEVVGAXAZCR-UHFFFAOYSA-N 0 0 181.260 1.973 10 0 ADAERN CCNc1cc(C(=O)NC)ccc1N 71010129 343547761 /nfs/dbraw/zinc/54/77/61/343547761.db2.gz TTYPUAABUWZBOB-UHFFFAOYSA-N 0 0 193.250 1.060 10 0 ADAERN Cn1[nH]c(C2CC2)cc1=S 71006860 343547797 /nfs/dbraw/zinc/54/77/97/343547797.db2.gz MRUOQBFXJVNDGF-UHFFFAOYSA-N 0 0 154.238 1.586 10 0 ADAERN CC(C)Cc1nc(C2CC2)cc(=O)[nH]1 71003227 343547823 /nfs/dbraw/zinc/54/78/23/343547823.db2.gz XULXLLFXRSRKQJ-UHFFFAOYSA-N 0 0 192.262 1.846 10 0 ADAERN CCn1c(C2CC2)c(N)c(=O)n1CC 71006802 343547826 /nfs/dbraw/zinc/54/78/26/343547826.db2.gz PPLYKGAKZTZRPD-UHFFFAOYSA-N 0 0 195.266 1.149 10 0 ADAERN Cc1cccnc1C[C@H](O)C1CC1 71004922 343547836 /nfs/dbraw/zinc/54/78/36/343547836.db2.gz HKGYXLKZGKFPKD-NSHDSACASA-N 0 0 177.247 1.703 10 0 ADAERN CCCn1c(C2CC2)c(N)c(=O)n1C 71006821 343547847 /nfs/dbraw/zinc/54/78/47/343547847.db2.gz JKFHXGKPTYLSLV-UHFFFAOYSA-N 0 0 195.266 1.056 10 0 ADAERN O[C@H](Cc1ccncc1)C1CC1 71005218 343547885 /nfs/dbraw/zinc/54/78/85/343547885.db2.gz QVHCPRAAVAQTAB-SNVBAGLBSA-N 0 0 163.220 1.395 10 0 ADAERN CNc1ncnc2c1CCCCC2 71002729 343547905 /nfs/dbraw/zinc/54/79/05/343547905.db2.gz LYUYUHPJNAKEKQ-UHFFFAOYSA-N 0 0 177.251 1.787 10 0 ADAERN Cc1ccc(CC(=O)C2CC2)nc1 71002944 343547914 /nfs/dbraw/zinc/54/79/14/343547914.db2.gz GAZIGSNCSSJHFH-UHFFFAOYSA-N 0 0 175.231 1.912 10 0 ADAERN CC(C)Nc1cc(C(N)=O)ccc1N 71009605 343547916 /nfs/dbraw/zinc/54/79/16/343547916.db2.gz CVYZIPLPPVQMAL-UHFFFAOYSA-N 0 0 193.250 1.188 10 0 ADAERN CCCc1nc(C2CC2)cc(=O)[nH]1 71003338 343547923 /nfs/dbraw/zinc/54/79/23/343547923.db2.gz SLYMXLAYTWQXAG-UHFFFAOYSA-N 0 0 178.235 1.600 10 0 ADAERN CSc1cc(C(N)=O)ccc1N 71010049 343547955 /nfs/dbraw/zinc/54/79/55/343547955.db2.gz BKCRXMGLVSCEJJ-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN Cc1cccnc1C[C@@H](O)C1CC1 71004925 343547957 /nfs/dbraw/zinc/54/79/57/343547957.db2.gz HKGYXLKZGKFPKD-LLVKDONJSA-N 0 0 177.247 1.703 10 0 ADAERN CCCc1noc(C(=O)OCC)n1 71009328 343547960 /nfs/dbraw/zinc/54/79/60/343547960.db2.gz CDAASYWTBRYRNY-UHFFFAOYSA-N 0 0 184.195 1.199 10 0 ADAERN Nc1ccc(N[C@H]2CCCOC2)nc1 71012053 343548250 /nfs/dbraw/zinc/54/82/50/343548250.db2.gz CVFXILNIPNBGNV-VIFPVBQESA-N 0 0 193.250 1.255 10 0 ADAERN C[C@@H]1CC(=O)CCN1[C@@H]1CCCOC1 71014059 343548386 /nfs/dbraw/zinc/54/83/86/343548386.db2.gz HDYGJZBLDVMQHG-NXEZZACHSA-N 0 0 197.278 1.219 10 0 ADAERN Nc1ccc(N[C@@H]2CCCOC2)nc1 71012051 343548407 /nfs/dbraw/zinc/54/84/07/343548407.db2.gz CVFXILNIPNBGNV-SECBINFHSA-N 0 0 193.250 1.255 10 0 ADAERN C[C@H]1CC(=O)CCN1[C@@H]1CCCOC1 71014060 343548411 /nfs/dbraw/zinc/54/84/11/343548411.db2.gz HDYGJZBLDVMQHG-VHSXEESVSA-N 0 0 197.278 1.219 10 0 ADAERN Nc1ccc(N[C@H]2CCCOC2)cn1 71012147 343548516 /nfs/dbraw/zinc/54/85/16/343548516.db2.gz HKDOCAIXMZHBBH-VIFPVBQESA-N 0 0 193.250 1.255 10 0 ADAERN c1cnnc(N[C@@H]2CCCOC2)c1 71014298 343548675 /nfs/dbraw/zinc/54/86/75/343548675.db2.gz RYJBSSWKHWSRLG-MRVPVSSYSA-N 0 0 179.223 1.068 10 0 ADAERN c1cnc(N[C@H]2CCCOC2)nc1 71014473 343548680 /nfs/dbraw/zinc/54/86/80/343548680.db2.gz NNABXGCSLCWOQE-QMMMGPOBSA-N 0 0 179.223 1.068 10 0 ADAERN c1cnc(N[C@@H]2CCCOC2)nc1 71014472 343548686 /nfs/dbraw/zinc/54/86/86/343548686.db2.gz NNABXGCSLCWOQE-MRVPVSSYSA-N 0 0 179.223 1.068 10 0 ADAERN O=Cc1cccn1[C@@H]1CCCOC1 71023941 343548716 /nfs/dbraw/zinc/54/87/16/343548716.db2.gz BDCDGMUZHDSDGA-SNVBAGLBSA-N 0 0 179.219 1.652 10 0 ADAERN c1cnc(N[C@H]2CCCOC2)cn1 71014470 343548758 /nfs/dbraw/zinc/54/87/58/343548758.db2.gz HJCZNGICYKWGOH-QMMMGPOBSA-N 0 0 179.223 1.068 10 0 ADAERN Cc1nccc(N[C@H]2CCCOC2)n1 71014296 343548781 /nfs/dbraw/zinc/54/87/81/343548781.db2.gz ATZXOHYECZXZHO-VIFPVBQESA-N 0 0 193.250 1.376 10 0 ADAERN Cc1cnc(N[C@H]2CCCOC2)nc1 71014188 343548790 /nfs/dbraw/zinc/54/87/90/343548790.db2.gz WKDWVHYTGKSAAC-VIFPVBQESA-N 0 0 193.250 1.376 10 0 ADAERN Cc1nccc(N[C@@H]2CCCOC2)n1 71014294 343548794 /nfs/dbraw/zinc/54/87/94/343548794.db2.gz ATZXOHYECZXZHO-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN c1cc(N[C@@H]2CCCOC2)ncn1 71014347 343548799 /nfs/dbraw/zinc/54/87/99/343548799.db2.gz MVHVYCYKONWVGM-MRVPVSSYSA-N 0 0 179.223 1.068 10 0 ADAERN S=c1[nH]ccn1[C@@H]1CCCOC1 71014535 343548808 /nfs/dbraw/zinc/54/88/08/343548808.db2.gz DDLZLODGJADNML-SSDOTTSWSA-N 0 0 184.264 1.897 10 0 ADAERN S=c1[nH]ccn1[C@H]1CCCOC1 71014538 343548839 /nfs/dbraw/zinc/54/88/39/343548839.db2.gz DDLZLODGJADNML-ZETCQYMHSA-N 0 0 184.264 1.897 10 0 ADAERN S=c1[nH]ncn1[C@H]1CCCOC1 71023252 343548878 /nfs/dbraw/zinc/54/88/78/343548878.db2.gz VDXBFDSWIJFTEZ-LURJTMIESA-N 0 0 185.252 1.292 10 0 ADAERN Cc1cnc(N[C@@H]2CCCOC2)nc1 71014187 343548932 /nfs/dbraw/zinc/54/89/32/343548932.db2.gz WKDWVHYTGKSAAC-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN c1cc(N[C@H]2CCCOC2)ncn1 71014350 343548946 /nfs/dbraw/zinc/54/89/46/343548946.db2.gz MVHVYCYKONWVGM-QMMMGPOBSA-N 0 0 179.223 1.068 10 0 ADAERN Fc1cccc(N[C@@H]2CCCOC2)n1 71024633 343548966 /nfs/dbraw/zinc/54/89/66/343548966.db2.gz DZASNJYWUGOPSK-MRVPVSSYSA-N 0 0 196.225 1.812 10 0 ADAERN Cc1n[nH]c(=S)n1[C@@H]1CCCOC1 71023235 343548976 /nfs/dbraw/zinc/54/89/76/343548976.db2.gz ARPVDIJQUPFHOG-SSDOTTSWSA-N 0 0 199.279 1.601 10 0 ADAERN Cc1cc(N[C@H]2CCCOC2)ncn1 71014320 343549006 /nfs/dbraw/zinc/54/90/06/343549006.db2.gz KYXRFGCDKGOECK-VIFPVBQESA-N 0 0 193.250 1.376 10 0 ADAERN Cc1ccnc(N[C@@H]2CCCOC2)n1 71014203 343549009 /nfs/dbraw/zinc/54/90/09/343549009.db2.gz VYAAUYYSGLVEFY-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN O=Cc1cccn1[C@H]1CCCOC1 71023944 343549028 /nfs/dbraw/zinc/54/90/28/343549028.db2.gz BDCDGMUZHDSDGA-JTQLQIEISA-N 0 0 179.219 1.652 10 0 ADAERN Cc1cc(N[C@@H]2CCCOC2)ncn1 71014319 343549034 /nfs/dbraw/zinc/54/90/34/343549034.db2.gz KYXRFGCDKGOECK-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN c1csc(N[C@@H]2CCCOC2)n1 71014487 343549054 /nfs/dbraw/zinc/54/90/54/343549054.db2.gz XIDJGUAMBPJIBL-SSDOTTSWSA-N 0 0 184.264 1.734 10 0 ADAERN c1csc(N[C@H]2CCCOC2)n1 71014490 343549069 /nfs/dbraw/zinc/54/90/69/343549069.db2.gz XIDJGUAMBPJIBL-ZETCQYMHSA-N 0 0 184.264 1.734 10 0 ADAERN c1cnnc(N[C@H]2CCCOC2)c1 71014301 343549074 /nfs/dbraw/zinc/54/90/74/343549074.db2.gz RYJBSSWKHWSRLG-QMMMGPOBSA-N 0 0 179.223 1.068 10 0 ADAERN c1cnc(N[C@@H]2CCCOC2)cn1 71014468 343549087 /nfs/dbraw/zinc/54/90/87/343549087.db2.gz HJCZNGICYKWGOH-MRVPVSSYSA-N 0 0 179.223 1.068 10 0 ADAERN Fc1cccc(N[C@H]2CCCOC2)n1 71024635 343549147 /nfs/dbraw/zinc/54/91/47/343549147.db2.gz DZASNJYWUGOPSK-QMMMGPOBSA-N 0 0 196.225 1.812 10 0 ADAERN CCc1cnc([C@H](C)O)s1 71026702 343549254 /nfs/dbraw/zinc/54/92/54/343549254.db2.gz RERGKMGVANRIRL-YFKPBYRVSA-N 0 0 157.238 1.759 10 0 ADAERN COc1cc(CO)nc2ccccc12 71025544 343549297 /nfs/dbraw/zinc/54/92/97/343549297.db2.gz XXWJSGLSCJRCSW-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN CCc1cnc([C@@H](C)O)s1 71026701 343549302 /nfs/dbraw/zinc/54/93/02/343549302.db2.gz RERGKMGVANRIRL-RXMQYKEDSA-N 0 0 157.238 1.759 10 0 ADAERN C[C@H](O)c1nc2c(s1)CN(C)CC2 71026472 343549315 /nfs/dbraw/zinc/54/93/15/343549315.db2.gz VYUBZBSGBYFPQT-LURJTMIESA-N 0 0 198.291 1.184 10 0 ADAERN CCOc1ccc2c(c1)NC(=O)[C@H]2N 71025181 343549371 /nfs/dbraw/zinc/54/93/71/343549371.db2.gz VQBYPXLAGLBAIY-VIFPVBQESA-N 0 0 192.218 1.037 10 0 ADAERN CCc1csc([C@@H](C)O)n1 71026684 343549382 /nfs/dbraw/zinc/54/93/82/343549382.db2.gz CTPKBSYLECGAKI-RXMQYKEDSA-N 0 0 157.238 1.759 10 0 ADAERN CCc1csc([C@H](C)O)n1 71026686 343549395 /nfs/dbraw/zinc/54/93/95/343549395.db2.gz CTPKBSYLECGAKI-YFKPBYRVSA-N 0 0 157.238 1.759 10 0 ADAERN CCc1nnc(Cl)n1CC1CC1 71052609 343549600 /nfs/dbraw/zinc/54/96/00/343549600.db2.gz DPYFDBYBUPKCCX-UHFFFAOYSA-N 0 0 185.658 1.904 10 0 ADAERN Clc1nncn1C[C@H]1CCCO1 71052567 343549653 /nfs/dbraw/zinc/54/96/53/343549653.db2.gz FHBBHDXXBQJJOD-ZCFIWIBFSA-N 0 0 187.630 1.111 10 0 ADAERN COCCc1nnc(Cl)s1 71050940 343549694 /nfs/dbraw/zinc/54/96/94/343549694.db2.gz YQWDVUSHZPDCSO-UHFFFAOYSA-N 0 0 178.644 1.380 10 0 ADAERN Clc1nnc([C@@H]2CCOC2)s1 71051016 343549703 /nfs/dbraw/zinc/54/97/03/343549703.db2.gz QMMKRRLDDKZRHK-SCSAIBSYSA-N 0 0 190.655 1.695 10 0 ADAERN Clc1nnc([C@H]2CCOC2)s1 71051019 343549717 /nfs/dbraw/zinc/54/97/17/343549717.db2.gz QMMKRRLDDKZRHK-BYPYZUCNSA-N 0 0 190.655 1.695 10 0 ADAERN Clc1nncn1CC1CC1 71052607 343549744 /nfs/dbraw/zinc/54/97/44/343549744.db2.gz FNJMDUWCCIEGDK-UHFFFAOYSA-N 0 0 157.604 1.342 10 0 ADAERN CN(C)Cc1nnc(Cl)s1 71051044 343549855 /nfs/dbraw/zinc/54/98/55/343549855.db2.gz AGXGUZHUTHMWEI-UHFFFAOYSA-N 0 0 177.660 1.253 10 0 ADAERN CCOCc1nnc(Cl)s1 71050841 343549782 /nfs/dbraw/zinc/54/97/82/343549782.db2.gz LBRLYGAWCKQSQJ-UHFFFAOYSA-N 0 0 178.644 1.728 10 0 ADAERN C[C@H](O)c1nnc(Cl)s1 71051077 343549845 /nfs/dbraw/zinc/54/98/45/343549845.db2.gz LPWRTYMVMBYBPI-REOHCLBHSA-N 0 0 164.617 1.245 10 0 ADAERN Clc1nnc(-c2cn[nH]c2)s1 71051022 343549886 /nfs/dbraw/zinc/54/98/86/343549886.db2.gz CYNWFWDWFARNDY-UHFFFAOYSA-N 0 0 186.627 1.582 10 0 ADAERN C[C@@H](O)c1nnc(Cl)s1 71051080 343549900 /nfs/dbraw/zinc/54/99/00/343549900.db2.gz LPWRTYMVMBYBPI-UWTATZPHSA-N 0 0 164.617 1.245 10 0 ADAERN Cc1nnc(Cl)n1CC1CC1 71052602 343549950 /nfs/dbraw/zinc/54/99/50/343549950.db2.gz ZENKRCXZDPTSJZ-UHFFFAOYSA-N 0 0 171.631 1.650 10 0 ADAERN Clc1nncn1C[C@@H]1CCCO1 71052564 343549962 /nfs/dbraw/zinc/54/99/62/343549962.db2.gz FHBBHDXXBQJJOD-LURJTMIESA-N 0 0 187.630 1.111 10 0 ADAERN Clc1nnc(-c2cc[nH]n2)s1 71051029 343549986 /nfs/dbraw/zinc/54/99/86/343549986.db2.gz PRAPQBRBZQUPLH-UHFFFAOYSA-N 0 0 186.627 1.582 10 0 ADAERN CC(C)(CO)c1nnc(Cl)s1 71050988 343550029 /nfs/dbraw/zinc/55/00/29/343550029.db2.gz JUSNSYKQSVGXLA-UHFFFAOYSA-N 0 0 192.671 1.461 10 0 ADAERN CCCc1nnc(Cl)n1CC 71053088 343550116 /nfs/dbraw/zinc/55/01/16/343550116.db2.gz WWBOBQORPAUQOU-UHFFFAOYSA-N 0 0 173.647 1.904 10 0 ADAERN Clc1nncn1-c1cccnc1 71052637 343550133 /nfs/dbraw/zinc/55/01/33/343550133.db2.gz YPJXRKHMMOEIGA-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN CC[C@@H](C)n1cnnc1Cl 71052964 343550145 /nfs/dbraw/zinc/55/01/45/343550145.db2.gz FJOMHBOPWKNNGX-RXMQYKEDSA-N 0 0 159.620 1.903 10 0 ADAERN CCc1nnc(Cl)n1C1CC1 71053099 343550148 /nfs/dbraw/zinc/55/01/48/343550148.db2.gz FYWBJMMFUQAHQQ-UHFFFAOYSA-N 0 0 171.631 1.829 10 0 ADAERN CC(C)CCn1cnnc1Cl 71052719 343550152 /nfs/dbraw/zinc/55/01/52/343550152.db2.gz UMGYHVOHFAFIPY-UHFFFAOYSA-N 0 0 173.647 1.978 10 0 ADAERN CCCn1c(Cl)nnc1CC 71053169 343550154 /nfs/dbraw/zinc/55/01/54/343550154.db2.gz DSAPBOMKHLRUSU-UHFFFAOYSA-N 0 0 173.647 1.904 10 0 ADAERN CC[C@H](C)n1cnnc1Cl 71052965 343550164 /nfs/dbraw/zinc/55/01/64/343550164.db2.gz FJOMHBOPWKNNGX-YFKPBYRVSA-N 0 0 159.620 1.903 10 0 ADAERN Cn1c(Cl)nnc1C1CC1 71052656 343550186 /nfs/dbraw/zinc/55/01/86/343550186.db2.gz RWEIIBRMVWSDKP-UHFFFAOYSA-N 0 0 157.604 1.346 10 0 ADAERN C[C@H](C1CC1)n1cnnc1Cl 71053678 343550191 /nfs/dbraw/zinc/55/01/91/343550191.db2.gz RGIWVCQIBZUHRM-RXMQYKEDSA-N 0 0 171.631 1.903 10 0 ADAERN COC[C@@H](C)n1c(C)nnc1Cl 71052793 343550194 /nfs/dbraw/zinc/55/01/94/343550194.db2.gz CUFPNJINEYJHES-RXMQYKEDSA-N 0 0 189.646 1.447 10 0 ADAERN COC[C@H](C)n1c(C)nnc1Cl 71052791 343550202 /nfs/dbraw/zinc/55/02/02/343550202.db2.gz CUFPNJINEYJHES-YFKPBYRVSA-N 0 0 189.646 1.447 10 0 ADAERN COC[C@H](C)n1cnnc1Cl 71052795 343550206 /nfs/dbraw/zinc/55/02/06/343550206.db2.gz RBPMNQQFAUVEHD-YFKPBYRVSA-N 0 0 175.619 1.139 10 0 ADAERN Clc1nncn1CC1CCC1 71053530 343550210 /nfs/dbraw/zinc/55/02/10/343550210.db2.gz FMQMURKAEWIOEN-UHFFFAOYSA-N 0 0 171.631 1.732 10 0 ADAERN Cc1nnc(Cl)n1-c1cccnc1 71052636 343550212 /nfs/dbraw/zinc/55/02/12/343550212.db2.gz OVAKXKXRFHSOPP-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN CC(C)c1nnc(Cl)n1C 71052654 343550226 /nfs/dbraw/zinc/55/02/26/343550226.db2.gz GBOLAGPNSDAGAR-UHFFFAOYSA-N 0 0 159.620 1.592 10 0 ADAERN Cc1nnc(Cl)n1C1CC1 71053095 343550244 /nfs/dbraw/zinc/55/02/44/343550244.db2.gz ODNDLPPOVASNOB-UHFFFAOYSA-N 0 0 157.604 1.575 10 0 ADAERN CCc1nnc(Cl)n1CC 71053086 343550251 /nfs/dbraw/zinc/55/02/51/343550251.db2.gz MGSMNCJUHVGJKI-UHFFFAOYSA-N 0 0 159.620 1.514 10 0 ADAERN COC[C@@H](C)n1cnnc1Cl 71052797 343550254 /nfs/dbraw/zinc/55/02/54/343550254.db2.gz RBPMNQQFAUVEHD-RXMQYKEDSA-N 0 0 175.619 1.139 10 0 ADAERN Cc1nnc(Cl)n1CC(F)(F)F 71052930 343550304 /nfs/dbraw/zinc/55/03/04/343550304.db2.gz LSOTVTAYRQLEQV-UHFFFAOYSA-N 0 0 199.563 1.802 10 0 ADAERN CCn1c(C)nnc1Cl 71053082 343550310 /nfs/dbraw/zinc/55/03/10/343550310.db2.gz OZUCRRJRESCPKZ-UHFFFAOYSA-N 0 0 145.593 1.260 10 0 ADAERN Clc1nncn1C1CC1 71053098 343550322 /nfs/dbraw/zinc/55/03/22/343550322.db2.gz RTJQTFUOZJEVHQ-UHFFFAOYSA-N 0 0 143.577 1.266 10 0 ADAERN CCCn1cnnc1Cl 71053167 343550325 /nfs/dbraw/zinc/55/03/25/343550325.db2.gz ADNDWXWTLANTNT-UHFFFAOYSA-N 0 0 145.593 1.342 10 0 ADAERN FC(F)(F)Cn1cnnc1Cl 71052933 343550338 /nfs/dbraw/zinc/55/03/38/343550338.db2.gz VXBPYCGYMUMRCG-UHFFFAOYSA-N 0 0 185.536 1.494 10 0 ADAERN CCc1nnc(Cl)n1C 71052650 343550354 /nfs/dbraw/zinc/55/03/54/343550354.db2.gz CHEVXKGDJGDQRV-UHFFFAOYSA-N 0 0 145.593 1.031 10 0 ADAERN CCn1c(Cl)nnc1C1CC1 71053091 343550385 /nfs/dbraw/zinc/55/03/85/343550385.db2.gz PHXMJLBARNHWDV-UHFFFAOYSA-N 0 0 171.631 1.829 10 0 ADAERN CC(C)n1cnnc1Cl 71052664 343550391 /nfs/dbraw/zinc/55/03/91/343550391.db2.gz RAJGKUCNGXSSAM-UHFFFAOYSA-N 0 0 145.593 1.512 10 0 ADAERN Cc1nnc(Cl)n1CC(C)C 71053111 343550395 /nfs/dbraw/zinc/55/03/95/343550395.db2.gz HFKIHVMJVFKGTH-UHFFFAOYSA-N 0 0 173.647 1.896 10 0 ADAERN CCCCn1cnnc1Cl 71052700 343550402 /nfs/dbraw/zinc/55/04/02/343550402.db2.gz WFZBDSXBZUPIDH-UHFFFAOYSA-N 0 0 159.620 1.732 10 0 ADAERN CCCn1c(C)nnc1Cl 71053166 343550408 /nfs/dbraw/zinc/55/04/08/343550408.db2.gz RJKTVCCUMASQGV-UHFFFAOYSA-N 0 0 159.620 1.650 10 0 ADAERN C[C@@H](C1CC1)n1cnnc1Cl 71053677 343550412 /nfs/dbraw/zinc/55/04/12/343550412.db2.gz RGIWVCQIBZUHRM-YFKPBYRVSA-N 0 0 171.631 1.903 10 0 ADAERN Cc1nnc(Cl)n1C(C)C 71052660 343550422 /nfs/dbraw/zinc/55/04/22/343550422.db2.gz GIEKPDWQAPRALI-UHFFFAOYSA-N 0 0 159.620 1.821 10 0 ADAERN Cc1nnc(Cl)n1[C@@H]1C[C@H]1C 71055399 343550631 /nfs/dbraw/zinc/55/06/31/343550631.db2.gz UHHMCRNCOZWCMW-INEUFUBQSA-N 0 0 171.631 1.821 10 0 ADAERN Cc1nnc(Cl)n1C1CCC1 71055354 343550635 /nfs/dbraw/zinc/55/06/35/343550635.db2.gz QEVCZIQIWUGSAE-UHFFFAOYSA-N 0 0 171.631 1.965 10 0 ADAERN CC(C)(C)Cn1cnnc1Cl 71055840 343550664 /nfs/dbraw/zinc/55/06/64/343550664.db2.gz MFJBFVIPBGRPMA-UHFFFAOYSA-N 0 0 173.647 1.978 10 0 ADAERN Clc1nncn1Cc1cccnc1 71054088 343550704 /nfs/dbraw/zinc/55/07/04/343550704.db2.gz YPAYLLQAUATRSE-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN C[C@H]1C[C@@H]1n1cnnc1Cl 71055411 343550737 /nfs/dbraw/zinc/55/07/37/343550737.db2.gz FRLFKXCPGDRDGQ-WHFBIAKZSA-N 0 0 157.604 1.512 10 0 ADAERN Cc1nnc(Cl)n1[C@H]1C[C@H]1C 71055403 343550796 /nfs/dbraw/zinc/55/07/96/343550796.db2.gz UHHMCRNCOZWCMW-XINAWCOVSA-N 0 0 171.631 1.821 10 0 ADAERN Clc1nncn1Cc1ccncc1 71054100 343550803 /nfs/dbraw/zinc/55/08/03/343550803.db2.gz WDBYXDRQGFYPCK-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN CCn1cc(-n2cnnc2Cl)cn1 71053774 343550812 /nfs/dbraw/zinc/55/08/12/343550812.db2.gz HBUITEOJBVPUKK-UHFFFAOYSA-N 0 0 197.629 1.137 10 0 ADAERN FC(F)(F)CCn1cnnc1Cl 71055873 343550817 /nfs/dbraw/zinc/55/08/17/343550817.db2.gz RZDCIAXAVLTALS-UHFFFAOYSA-N 0 0 199.563 1.884 10 0 ADAERN Cc1nnc(Cl)n1[C@@H]1C[C@@H]1C 71055393 343550828 /nfs/dbraw/zinc/55/08/28/343550828.db2.gz UHHMCRNCOZWCMW-UJURSFKZSA-N 0 0 171.631 1.821 10 0 ADAERN C[C@@H]1C[C@H]1n1cnnc1Cl 71055417 343550833 /nfs/dbraw/zinc/55/08/33/343550833.db2.gz FRLFKXCPGDRDGQ-RFZPGFLSSA-N 0 0 157.604 1.512 10 0 ADAERN Cc1cc(Cn2cnnc2Cl)no1 71056177 343550863 /nfs/dbraw/zinc/55/08/63/343550863.db2.gz KXZCOTQHQYXJSS-UHFFFAOYSA-N 0 0 198.613 1.276 10 0 ADAERN CC[C@@H](C)Cn1cnnc1Cl 71055128 343550886 /nfs/dbraw/zinc/55/08/86/343550886.db2.gz SQRXLCZBZGYALR-ZCFIWIBFSA-N 0 0 173.647 1.978 10 0 ADAERN Cc1cc(Cn2cnnc2Cl)on1 71057129 343550896 /nfs/dbraw/zinc/55/08/96/343550896.db2.gz VFQOLUNHUUFUPW-UHFFFAOYSA-N 0 0 198.613 1.276 10 0 ADAERN C[C@H]1C[C@H]1n1cnnc1Cl 71055418 343550900 /nfs/dbraw/zinc/55/09/00/343550900.db2.gz FRLFKXCPGDRDGQ-CRCLSJGQSA-N 0 0 157.604 1.512 10 0 ADAERN Clc1nncn1C1CCOCC1 71053813 343550904 /nfs/dbraw/zinc/55/09/04/343550904.db2.gz SHZDABNZOXYWSH-UHFFFAOYSA-N 0 0 187.630 1.283 10 0 ADAERN Clc1nncn1[C@H]1CCCOC1 71055706 343550962 /nfs/dbraw/zinc/55/09/62/343550962.db2.gz VSLXKTGASHDSFW-LURJTMIESA-N 0 0 187.630 1.283 10 0 ADAERN Cc1nnc(Cl)n1[C@H]1C[C@@H]1C 71055395 343550927 /nfs/dbraw/zinc/55/09/27/343550927.db2.gz UHHMCRNCOZWCMW-NJGYIYPDSA-N 0 0 171.631 1.821 10 0 ADAERN Clc1nncn1Cc1ccccn1 71053990 343550930 /nfs/dbraw/zinc/55/09/30/343550930.db2.gz VMYMMBNIRDTEGG-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN CC1(C)C[C@H]1n1cnnc1Cl 71056437 343550938 /nfs/dbraw/zinc/55/09/38/343550938.db2.gz SCGNLNCNTCECCP-RXMQYKEDSA-N 0 0 171.631 1.903 10 0 ADAERN Clc1nncn1[C@@H]1CCCOC1 71055702 343550971 /nfs/dbraw/zinc/55/09/71/343550971.db2.gz VSLXKTGASHDSFW-ZCFIWIBFSA-N 0 0 187.630 1.283 10 0 ADAERN CC1(C)C[C@@H]1n1cnnc1Cl 71056434 343550982 /nfs/dbraw/zinc/55/09/82/343550982.db2.gz SCGNLNCNTCECCP-YFKPBYRVSA-N 0 0 171.631 1.903 10 0 ADAERN Clc1nncn1C1CCC1 71055358 343551003 /nfs/dbraw/zinc/55/10/03/343551003.db2.gz CKVJYSRZDOHUGJ-UHFFFAOYSA-N 0 0 157.604 1.657 10 0 ADAERN Cc1ccncc1-n1cnnc1Cl 71055550 343551005 /nfs/dbraw/zinc/55/10/05/343551005.db2.gz MNPCAYZBQJJXAV-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN C[C@@H]1C[C@@H]1n1cnnc1Cl 71055409 343551011 /nfs/dbraw/zinc/55/10/11/343551011.db2.gz FRLFKXCPGDRDGQ-UHNVWZDZSA-N 0 0 157.604 1.512 10 0 ADAERN CC[C@H](C)Cn1cnnc1Cl 71055132 343551013 /nfs/dbraw/zinc/55/10/13/343551013.db2.gz SQRXLCZBZGYALR-LURJTMIESA-N 0 0 173.647 1.978 10 0 ADAERN CCOC/C(=C/OC)C(=O)OCC 71261222 343551612 /nfs/dbraw/zinc/55/16/12/343551612.db2.gz NCEXFFIQEINAEO-VURMDHGXSA-N 0 0 188.223 1.116 10 0 ADAERN C[S@](=N)(=O)c1nccs1 71261598 343551808 /nfs/dbraw/zinc/55/18/08/343551808.db2.gz BWCGDRSRLDZOHY-VIFPVBQESA-N 0 0 162.239 1.179 10 0 ADAERN Cc1nc2cc(F)cnc2[nH]1 71257659 343551850 /nfs/dbraw/zinc/55/18/50/343551850.db2.gz ZRDHOPNOYVURHF-UHFFFAOYSA-N 0 0 151.144 1.405 10 0 ADAERN Cc1cc(C)c(O)c(C(N)=O)c1 71463563 343552612 /nfs/dbraw/zinc/55/26/12/343552612.db2.gz QDVWFBRPHCXKEB-UHFFFAOYSA-N 0 0 165.192 1.108 10 0 ADAERN Cc1ccc(C)c(C(N)=O)c1O 71462806 343552622 /nfs/dbraw/zinc/55/26/22/343552622.db2.gz IRLRXPWMGNVSHD-UHFFFAOYSA-N 0 0 165.192 1.108 10 0 ADAERN CC(C)Oc1ccc(F)cc1C(N)=O 71464809 343552877 /nfs/dbraw/zinc/55/28/77/343552877.db2.gz JHNYAKIVQGBRLB-UHFFFAOYSA-N 0 0 197.209 1.712 10 0 ADAERN Cc1cc(O)c(C(N)=O)cc1Cl 71454596 343552965 /nfs/dbraw/zinc/55/29/65/343552965.db2.gz VRPGUETXZBPCHN-UHFFFAOYSA-N 0 0 185.610 1.453 10 0 ADAERN CN1CCO[C@H](c2cccc(N)c2)C1 71477764 343552974 /nfs/dbraw/zinc/55/29/74/343552974.db2.gz WYVDLEGZFNPTEG-NSHDSACASA-N 0 0 192.262 1.272 10 0 ADAERN Cc1c(O)ccc(C(N)=O)c1C 71456770 343552984 /nfs/dbraw/zinc/55/29/84/343552984.db2.gz UREWDFSPQSEPQJ-UHFFFAOYSA-N 0 0 165.192 1.108 10 0 ADAERN CC(C)CSc1nccc(=O)[nH]1 71420385 343553018 /nfs/dbraw/zinc/55/30/18/343553018.db2.gz GCGPPXFOGSYIOB-UHFFFAOYSA-N 0 0 184.264 1.518 10 0 ADAERN CN1CCO[C@@H](c2cccc(N)c2)C1 71477766 343553068 /nfs/dbraw/zinc/55/30/68/343553068.db2.gz WYVDLEGZFNPTEG-LLVKDONJSA-N 0 0 192.262 1.272 10 0 ADAERN CCc1cnn2c(O)c(C)c(=O)[nH]c12 71474345 343553085 /nfs/dbraw/zinc/55/30/85/343553085.db2.gz UTCDILOOWHLZTF-UHFFFAOYSA-N 0 0 193.206 1.011 10 0 ADAERN Cc1cc(O)cc(C)c1C(N)=O 71456816 343553093 /nfs/dbraw/zinc/55/30/93/343553093.db2.gz JUVCHIZWUPGERR-UHFFFAOYSA-N 0 0 165.192 1.108 10 0 ADAERN Cc1nc2cc(N)cnc2o1 71485537 343553340 /nfs/dbraw/zinc/55/33/40/343553340.db2.gz RJVUHWJRHDMMEY-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN CCCCc1ncc(N)cn1 71485125 343553551 /nfs/dbraw/zinc/55/35/51/343553551.db2.gz NMBLYFKQOACXAL-UHFFFAOYSA-N 0 0 151.213 1.401 10 0 ADAERN Cc1cc2c(=O)[nH]ccc2cc1F 71482385 343553610 /nfs/dbraw/zinc/55/36/10/343553610.db2.gz RONWECUKJSDBAT-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN Cc1ccc(CN(C)N)cc1 71495391 343553962 /nfs/dbraw/zinc/55/39/62/343553962.db2.gz KWJKREVNTWQBMT-UHFFFAOYSA-N 0 0 150.225 1.301 10 0 ADAERN CN1CCOC[C@H]1c1ccc(N)cc1 71491543 343554034 /nfs/dbraw/zinc/55/40/34/343554034.db2.gz WGOKXQFXONGIMF-NSHDSACASA-N 0 0 192.262 1.272 10 0 ADAERN O=C(c1cc[nH]c1)C1CCC1 71495372 343554087 /nfs/dbraw/zinc/55/40/87/343554087.db2.gz NKDBGMFVCZHRBO-UHFFFAOYSA-N 0 0 149.193 1.998 10 0 ADAERN CC(C)C(=O)c1cc[nH]c1 71495248 343554153 /nfs/dbraw/zinc/55/41/53/343554153.db2.gz CISISIHSPFXNGV-UHFFFAOYSA-N 0 0 137.182 1.853 10 0 ADAERN O=C(c1cc[nH]c1)C1CC1 71495227 343554196 /nfs/dbraw/zinc/55/41/96/343554196.db2.gz RBQRZTDKSDNPGN-UHFFFAOYSA-N 0 0 135.166 1.607 10 0 ADAERN CN1CCOC[C@H]1c1cccc(N)c1 71491547 343554256 /nfs/dbraw/zinc/55/42/56/343554256.db2.gz SIPQCIRRNPYTSA-NSHDSACASA-N 0 0 192.262 1.272 10 0 ADAERN CC1(C(=O)c2cc[nH]c2)CC1 71495373 343554282 /nfs/dbraw/zinc/55/42/82/343554282.db2.gz YBWYRHNQPNDTQD-UHFFFAOYSA-N 0 0 149.193 1.998 10 0 ADAERN O=C(c1cc[nH]c1)c1ccco1 71495657 343554434 /nfs/dbraw/zinc/55/44/34/343554434.db2.gz ZOFCXXCRMANCAS-UHFFFAOYSA-N 0 0 161.160 1.839 10 0 ADAERN CCc1nnc(Br)o1 71497111 343554464 /nfs/dbraw/zinc/55/44/64/343554464.db2.gz ZJBPVXIGKVNGKC-UHFFFAOYSA-N 0 0 177.001 1.395 10 0 ADAERN C[C@H]1COC[C@H](c2ccco2)N1 71496146 343554502 /nfs/dbraw/zinc/55/45/02/343554502.db2.gz WEPWAWKFJWHWMX-JGVFFNPUSA-N 0 0 167.208 1.329 10 0 ADAERN Cc1ccc(C)c(CN(C)N)c1 71495810 343554598 /nfs/dbraw/zinc/55/45/98/343554598.db2.gz IWUBDOSQNZNTOA-UHFFFAOYSA-N 0 0 164.252 1.609 10 0 ADAERN CC(C)Cc1nnc(Cl)o1 71495654 343554654 /nfs/dbraw/zinc/55/46/54/343554654.db2.gz FQLZSTDWSFASMP-UHFFFAOYSA-N 0 0 160.604 1.922 10 0 ADAERN Cc1cc(C)c(CN(C)N)c(C)c1 71497624 343554665 /nfs/dbraw/zinc/55/46/65/343554665.db2.gz CFXPKWKMKAMILA-UHFFFAOYSA-N 0 0 178.279 1.917 10 0 ADAERN C[C@H]1COC[C@@H](c2ccco2)N1 71496150 343554671 /nfs/dbraw/zinc/55/46/71/343554671.db2.gz WEPWAWKFJWHWMX-YUMQZZPRSA-N 0 0 167.208 1.329 10 0 ADAERN Cc1cc([C@H](O)CO)ccc1F 71496495 343554688 /nfs/dbraw/zinc/55/46/88/343554688.db2.gz YXDZNTLAXLXMED-SECBINFHSA-N 0 0 170.183 1.160 10 0 ADAERN CCc1ccc(CN(C)N)cc1 71495809 343554702 /nfs/dbraw/zinc/55/47/02/343554702.db2.gz KQQWLAXMYCVUHF-UHFFFAOYSA-N 0 0 164.252 1.555 10 0 ADAERN CN(N)Cc1c(F)cccc1Cl 71500315 343555030 /nfs/dbraw/zinc/55/50/30/343555030.db2.gz AUPKWSOEMMCKSG-UHFFFAOYSA-N 0 0 188.633 1.785 10 0 ADAERN Clc1nnc(-c2ccccn2)o1 71498953 343555200 /nfs/dbraw/zinc/55/52/00/343555200.db2.gz TYDRBAZDKJHNOI-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN CCc1nc(C(C)=O)cs1 80834253 343592408 /nfs/dbraw/zinc/59/24/08/343592408.db2.gz MDZTWMSIZWJIJB-UHFFFAOYSA-N 0 0 155.222 1.908 10 0 ADAERN CC(=O)CCn1ccc(C)cc1=O 71513742 343555597 /nfs/dbraw/zinc/55/55/97/343555597.db2.gz HWCKVWNPAFRBLC-UHFFFAOYSA-N 0 0 179.219 1.136 10 0 ADAERN CCNC(=O)CCCSC 71541557 343556225 /nfs/dbraw/zinc/55/62/25/343556225.db2.gz OCSCTEPGPCWCRX-UHFFFAOYSA-N 0 0 161.270 1.266 10 0 ADAERN CC(=O)CCn1cccc(C)c1=O 71516949 343556265 /nfs/dbraw/zinc/55/62/65/343556265.db2.gz VEHZEPRKSUONSC-UHFFFAOYSA-N 0 0 179.219 1.136 10 0 ADAERN CCN(CC)C(=O)CCCSC 71552673 343556292 /nfs/dbraw/zinc/55/62/92/343556292.db2.gz KBORDGXHPPPYIC-UHFFFAOYSA-N 0 0 189.324 1.998 10 0 ADAERN CCCNC(=O)CCCSC 71541549 343556322 /nfs/dbraw/zinc/55/63/22/343556322.db2.gz DJIVBNQNMDGZOL-UHFFFAOYSA-N 0 0 175.297 1.656 10 0 ADAERN O=C(NC(F)(F)F)c1ccccc1 71609114 343556395 /nfs/dbraw/zinc/55/63/95/343556395.db2.gz PAMCRRDMORMCSM-UHFFFAOYSA-N 0 0 189.136 1.936 10 0 ADAERN CSCCCC(=O)NC(C)C 71541555 343556483 /nfs/dbraw/zinc/55/64/83/343556483.db2.gz FVDZJIONGNFFPN-UHFFFAOYSA-N 0 0 175.297 1.654 10 0 ADAERN CCCn1cc(C)ccc1=O 71515541 343556511 /nfs/dbraw/zinc/55/65/11/343556511.db2.gz SJBQZEIWTKSBON-UHFFFAOYSA-N 0 0 151.209 1.567 10 0 ADAERN CSCCCC(=O)N1CCCC1 71552655 343556565 /nfs/dbraw/zinc/55/65/65/343556565.db2.gz ZZVZMXINDNBVCB-UHFFFAOYSA-N 0 0 187.308 1.752 10 0 ADAERN CSCCCC(=O)NCC(C)C 71541551 343556648 /nfs/dbraw/zinc/55/66/48/343556648.db2.gz NAJAZXDOVYNCOY-UHFFFAOYSA-N 0 0 189.324 1.902 10 0 ADAERN CSCCCC(=O)NC1CC1 71541647 343556654 /nfs/dbraw/zinc/55/66/54/343556654.db2.gz ZQZNJAZSNPQTRX-UHFFFAOYSA-N 0 0 173.281 1.408 10 0 ADAERN O=[N+]([O-])c1c[nH]c(-c2ccccc2)n1 71617655 343556962 /nfs/dbraw/zinc/55/69/62/343556962.db2.gz OIIFBUDLPDQPRC-UHFFFAOYSA-N 0 0 189.174 1.985 10 0 ADAERN CCC(=O)c1ccc(F)nc1F 71624268 343556941 /nfs/dbraw/zinc/55/69/41/343556941.db2.gz LEUYZJPYRBLIRT-UHFFFAOYSA-N 0 0 171.146 1.953 10 0 ADAERN CC[C@H](O)c1ccc(F)nc1F 71625093 343556998 /nfs/dbraw/zinc/55/69/98/343556998.db2.gz YVCDPMPCZQWJFV-LURJTMIESA-N 0 0 173.162 1.803 10 0 ADAERN CCc1cc(C(C)=O)c(O)cc1O 71617754 343557104 /nfs/dbraw/zinc/55/71/04/343557104.db2.gz XXDREGOVCGEMBJ-UHFFFAOYSA-N 0 0 180.203 1.863 10 0 ADAERN Cc1cccc(N2CCNC2=S)c1 71611232 343557150 /nfs/dbraw/zinc/55/71/50/343557150.db2.gz IQAOWRZBNSAXAA-UHFFFAOYSA-N 0 0 192.287 1.690 10 0 ADAERN Cc1nccc(Br)c1O 71864096 343559616 /nfs/dbraw/zinc/55/96/16/343559616.db2.gz JBGRGPFJPIZXIJ-UHFFFAOYSA-N 0 0 188.024 1.858 10 0 ADAERN C[C@H](CC(N)=O)c1ccco1 82105901 343595380 /nfs/dbraw/zinc/59/53/80/343595380.db2.gz DXKWPMVSGTWQED-ZCFIWIBFSA-N 0 0 153.181 1.259 10 0 ADAERN Cc1cn(-c2nc(N)cs2)cn1 72192496 343559909 /nfs/dbraw/zinc/55/99/09/343559909.db2.gz QECOSHJYDRUZBT-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CCc1nc(Cl)nc(OC)n1 72192367 343559933 /nfs/dbraw/zinc/55/99/33/343559933.db2.gz GHXDZGPRHIZEMY-UHFFFAOYSA-N 0 0 173.603 1.096 10 0 ADAERN Cc1cnn(-c2cnc(N)s2)c1 72192593 343559953 /nfs/dbraw/zinc/55/99/53/343559953.db2.gz DNPAMFVBIPINAH-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1ncc(-c2nc(N)cs2)cn1 72191734 343559967 /nfs/dbraw/zinc/55/99/67/343559967.db2.gz ZZEGMFGTZWRYRK-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cn(-c2ncc(N)s2)cn1 72192561 343559969 /nfs/dbraw/zinc/55/99/69/343559969.db2.gz XJXBKUSJHILJIW-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cn(-c2cnc(N)s2)cn1 72192596 343559973 /nfs/dbraw/zinc/55/99/73/343559973.db2.gz SXHUBGGPBBAQTQ-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cnn(-c2cccc(N)n2)c1 72192470 343559989 /nfs/dbraw/zinc/55/99/89/343559989.db2.gz MJRBJQOECPMAAD-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cnn(-c2nc(N)cs2)c1 72192499 343559993 /nfs/dbraw/zinc/55/99/93/343559993.db2.gz CZYCHPUMZJIDFR-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CC1CCN(c2ncc(N)s2)CC1 72192568 343559994 /nfs/dbraw/zinc/55/99/94/343559994.db2.gz KUUOEXCGIAGEAQ-UHFFFAOYSA-N 0 0 197.307 1.962 10 0 ADAERN Cc1cc(Cl)cc([C@H]([NH3+])C(=O)[O-])c1 72191165 343560008 /nfs/dbraw/zinc/56/00/08/343560008.db2.gz WIFAUYOHTRCICA-QMMMGPOBSA-N 0 0 199.637 1.733 10 0 ADAERN Cc1ccn(-c2cnc(N)s2)n1 72192592 343560016 /nfs/dbraw/zinc/56/00/16/343560016.db2.gz FXTHUGJKUZPQTK-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1nccn1-c1csc(N)n1 72192581 343560023 /nfs/dbraw/zinc/56/00/23/343560023.db2.gz HAZLVKXFUPLCFZ-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1ccc([C@H]([NH3+])C(=O)[O-])cc1Cl 72191162 343560026 /nfs/dbraw/zinc/56/00/26/343560026.db2.gz FOLAWNHKMAFBKP-QMMMGPOBSA-N 0 0 199.637 1.733 10 0 ADAERN CC(C)Oc1cccc(N)n1 72192464 343560039 /nfs/dbraw/zinc/56/00/39/343560039.db2.gz KKKHQVICGBEEQC-UHFFFAOYSA-N 0 0 152.197 1.451 10 0 ADAERN C[C@H]1CCCN(c2cnc(N)s2)C1 72192601 343560046 /nfs/dbraw/zinc/56/00/46/343560046.db2.gz NNIMOKACLMGKTO-ZETCQYMHSA-N 0 0 197.307 1.962 10 0 ADAERN Cc1nccn1-c1cnc(N)s1 72192595 343560050 /nfs/dbraw/zinc/56/00/50/343560050.db2.gz NWSFDQXDNJBRNA-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cc(Cl)ccc1[C@H]([NH3+])C(=O)[O-] 72191164 343560054 /nfs/dbraw/zinc/56/00/54/343560054.db2.gz ICOCVWCRIQFZGZ-QMMMGPOBSA-N 0 0 199.637 1.733 10 0 ADAERN Cc1ccn(-c2ncc(N)s2)n1 72192557 343560058 /nfs/dbraw/zinc/56/00/58/343560058.db2.gz YTJKCBNQHZGEKL-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1nccn1-c1nc(N)cs1 72192495 343560064 /nfs/dbraw/zinc/56/00/64/343560064.db2.gz WSWQAWFSMGUDSV-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cnn(-c2csc(N)n2)c1 72192579 343560079 /nfs/dbraw/zinc/56/00/79/343560079.db2.gz DWLAVNNUWKLQBH-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1ncc(-c2ncc(N)s2)cn1 72191709 343560104 /nfs/dbraw/zinc/56/01/04/343560104.db2.gz PBRUOJZLZUKQRT-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ccn(-c2csc(N)n2)n1 72192578 343560126 /nfs/dbraw/zinc/56/01/26/343560126.db2.gz KFRGRFUSVBLNLO-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CC(C)c1c[nH]c(=O)s1 72191705 343560141 /nfs/dbraw/zinc/56/01/41/343560141.db2.gz MUHVDYYKRKFAKW-UHFFFAOYSA-N 0 0 143.211 1.560 10 0 ADAERN Cc1c(F)ccc(F)c1O 72190262 343560151 /nfs/dbraw/zinc/56/01/51/343560151.db2.gz BXXLPQAJSYWNDV-UHFFFAOYSA-N 0 0 144.120 1.979 10 0 ADAERN Cc1nccn1-c1ncc(N)s1 72192560 343560193 /nfs/dbraw/zinc/56/01/93/343560193.db2.gz ZPUHVZBPLDMKQI-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN Cc1cn(-c2cccc(N)n2)cn1 72192467 343560225 /nfs/dbraw/zinc/56/02/25/343560225.db2.gz VPWMLWIJFIQKQP-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cnn(-c2cncc(N)c2)c1 72192789 343560752 /nfs/dbraw/zinc/56/07/52/343560752.db2.gz ABCBYUFFHVMWEU-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1nccn1-c1cncc(N)c1 72192800 343560765 /nfs/dbraw/zinc/56/07/65/343560765.db2.gz YGCRMNLKBHZKAE-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Cc1cc(F)ccc1-n1cc(N)cn1 72193423 343560818 /nfs/dbraw/zinc/56/08/18/343560818.db2.gz MOEVGLQGSSZUHS-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CCc1cc(N)nc(Cl)n1 72193113 343560858 /nfs/dbraw/zinc/56/08/58/343560858.db2.gz BNYZPBUEDCNIQZ-UHFFFAOYSA-N 0 0 157.604 1.275 10 0 ADAERN Cc1cn(-c2cncc(N)c2)cn1 72192809 343560930 /nfs/dbraw/zinc/56/09/30/343560930.db2.gz LQWWQVMRVDRSBJ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC(C)(C)C1=NC(=O)CS1 72193432 343560957 /nfs/dbraw/zinc/56/09/57/343560957.db2.gz XWOCCQROIXIXKO-UHFFFAOYSA-N 0 0 157.238 1.704 10 0 ADAERN CCc1nsnc1Cl 72204505 343561916 /nfs/dbraw/zinc/56/19/16/343561916.db2.gz HCDFDLWINHIMFQ-UHFFFAOYSA-N 0 0 148.618 1.754 10 0 ADAERN O=[N+]([O-])/C=C/[C@H]1CCCOC1 82580715 343607018 /nfs/dbraw/zinc/60/70/18/343607018.db2.gz RCLORZRUGMDITM-KGGZQZJCSA-N 0 0 157.169 1.203 10 0 ADAERN Cc1cncc(N)c1F 72230945 343566829 /nfs/dbraw/zinc/56/68/29/343566829.db2.gz HDBLHGDIKJONMP-UHFFFAOYSA-N 0 0 126.134 1.111 10 0 ADAERN Cc1c[nH]cc2ncnc1-2 72231233 343566854 /nfs/dbraw/zinc/56/68/54/343566854.db2.gz KOQQEILSRFHKPB-UHFFFAOYSA-N 0 0 133.154 1.266 10 0 ADAERN Cc1ccc(F)c(C)n1 72230868 343566878 /nfs/dbraw/zinc/56/68/78/343566878.db2.gz SSYHSUNUQGJTDK-UHFFFAOYSA-N 0 0 125.146 1.838 10 0 ADAERN Cc1ccnc2c1CCC2 72231206 343567028 /nfs/dbraw/zinc/56/70/28/343567028.db2.gz LVMGMMDWCBWSCH-UHFFFAOYSA-N 0 0 133.194 1.879 10 0 ADAERN CCc1ccc(F)nc1 72230897 343567072 /nfs/dbraw/zinc/56/70/72/343567072.db2.gz LEEJCKGABMHXDD-UHFFFAOYSA-N 0 0 125.146 1.783 10 0 ADAERN Cc1[nH]ccc2ncnc1-2 72231229 343567156 /nfs/dbraw/zinc/56/71/56/343567156.db2.gz HEISWZKHISNNDA-UHFFFAOYSA-N 0 0 133.154 1.266 10 0 ADAERN COCC(=O)Oc1ccccc1OC 72232698 343567286 /nfs/dbraw/zinc/56/72/86/343567286.db2.gz AEIIRLYSOCUVKH-UHFFFAOYSA-N 0 0 196.202 1.247 10 0 ADAERN F[C@@H]1CCCCN1 72231441 343567314 /nfs/dbraw/zinc/56/73/14/343567314.db2.gz UYGRGONQGJGYDY-YFKPBYRVSA-N 0 0 103.140 1.056 10 0 ADAERN Cc1ccccc1[C@H]1CNC(=O)CO1 72232719 343567342 /nfs/dbraw/zinc/56/73/42/343567342.db2.gz BDZXASNUBOMSMB-SNVBAGLBSA-N 0 0 191.230 1.183 10 0 ADAERN Cc1nc(-c2cc(N)ccc2O)n[nH]1 72237577 343567444 /nfs/dbraw/zinc/56/74/44/343567444.db2.gz FTGWFLVVHCMQNA-UHFFFAOYSA-N 0 0 190.206 1.068 10 0 ADAERN CC(C)Cc1nnc([C@@H]2CCCO2)[nH]1 72236845 343567475 /nfs/dbraw/zinc/56/74/75/343567475.db2.gz DMUWUJMLQBACOL-QMMMGPOBSA-N 0 0 195.266 1.855 10 0 ADAERN F[C@H]1CCCCN1 72231442 343567538 /nfs/dbraw/zinc/56/75/38/343567538.db2.gz UYGRGONQGJGYDY-RXMQYKEDSA-N 0 0 103.140 1.056 10 0 ADAERN CC(C)Cc1nnc([C@H]2CCCO2)[nH]1 72236846 343567660 /nfs/dbraw/zinc/56/76/60/343567660.db2.gz DMUWUJMLQBACOL-MRVPVSSYSA-N 0 0 195.266 1.855 10 0 ADAERN Cc1nc(-c2ccc(O)c(N)c2)n[nH]1 72237545 343567668 /nfs/dbraw/zinc/56/76/68/343567668.db2.gz KRAOZMUFWONNER-UHFFFAOYSA-N 0 0 190.206 1.068 10 0 ADAERN C[C@H]1CCc2[nH][nH]c(=O)c21 72266755 343568811 /nfs/dbraw/zinc/56/88/11/343568811.db2.gz MPTFLCLKEBBFEQ-BYPYZUCNSA-N 0 0 138.170 1.165 10 0 ADAERN Cc1[nH]nc2c1[C@H](O)C[C@@H](C)C2 72415838 343569510 /nfs/dbraw/zinc/56/95/10/343569510.db2.gz PWBPSJIMILMSNA-YLWLKBPMSA-N 0 0 166.224 1.334 10 0 ADAERN Cc1[nH]nc2c1[C@H](O)C[C@H](C)C2 72415839 343569739 /nfs/dbraw/zinc/56/97/39/343569739.db2.gz PWBPSJIMILMSNA-SVGQVSJJSA-N 0 0 166.224 1.334 10 0 ADAERN Cc1[nH]nc2c1[C@@H](O)C[C@H](C)C2 72415837 343569780 /nfs/dbraw/zinc/56/97/80/343569780.db2.gz PWBPSJIMILMSNA-XRGYYRRGSA-N 0 0 166.224 1.334 10 0 ADAERN C[C@H]1CC(=O)c2cnc(=S)[nH]c2C1 72415113 343569936 /nfs/dbraw/zinc/56/99/36/343569936.db2.gz NFPGFEBOIVQDRL-RXMQYKEDSA-N 0 0 194.259 1.530 10 0 ADAERN Cc1ccc(-c2nc(NN)n[nH]2)cc1 72416754 343570292 /nfs/dbraw/zinc/57/02/92/343570292.db2.gz IWHIRVTYDCVCAX-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN Cc1nn(C)c2c1[C@@H](O)CC(C)(C)C2 72415902 343570336 /nfs/dbraw/zinc/57/03/36/343570336.db2.gz ISINRQXVIXUWGF-VIFPVBQESA-N 0 0 194.278 1.734 10 0 ADAERN Cc1[nH]c(C)c2c1C(=O)N=NC2=O 72416654 343570437 /nfs/dbraw/zinc/57/04/37/343570437.db2.gz DESXQPKBJPICMP-UHFFFAOYSA-N 0 0 177.163 1.378 10 0 ADAERN CC1=CC[C@@H]2C(=O)CCCC2=NN1 72416436 343570438 /nfs/dbraw/zinc/57/04/38/343570438.db2.gz AFJRFKGZRPSXNC-QMMMGPOBSA-N 0 0 178.235 1.609 10 0 ADAERN Cc1nn(C)c2c1[C@@H](O)C[C@H](C)C2 72415899 343570455 /nfs/dbraw/zinc/57/04/55/343570455.db2.gz KBHFBRLFDKGRHQ-MUWHJKNJSA-N 0 0 180.251 1.344 10 0 ADAERN CCCc1[nH]nc(N)c1C(=O)OCC 72416397 343570475 /nfs/dbraw/zinc/57/04/75/343570475.db2.gz PRRAVYBOTGDGMH-UHFFFAOYSA-N 0 0 197.238 1.121 10 0 ADAERN CN(C)C=C1SC(=S)NC1=O 72416147 343570477 /nfs/dbraw/zinc/57/04/77/343570477.db2.gz JCCSYPGGODSMLT-ONEGZZNKSA-N 0 0 188.277 1.378 10 0 ADAERN C[C@H]1Cc2cc(CO)ccc2N1C 72417504 343570490 /nfs/dbraw/zinc/57/04/90/343570490.db2.gz OQYIYPDBDHINLF-QMMMGPOBSA-N 0 0 177.247 1.560 10 0 ADAERN CC1(C)Cc2nc(N)ncc2[C@@H](O)C1 72416459 343570498 /nfs/dbraw/zinc/57/04/98/343570498.db2.gz DDLNBPHDJXDDBB-QMMMGPOBSA-N 0 0 193.250 1.065 10 0 ADAERN CC1(C)Cc2nc(N)ncc2[C@H](O)C1 72416458 343570501 /nfs/dbraw/zinc/57/05/01/343570501.db2.gz DDLNBPHDJXDDBB-MRVPVSSYSA-N 0 0 193.250 1.065 10 0 ADAERN CCCC[C@H]1CC(=O)N1 72481862 343571030 /nfs/dbraw/zinc/57/10/30/343571030.db2.gz XQZKCDJWJWYELI-LURJTMIESA-N 0 0 127.187 1.065 10 0 ADAERN Cc1cc(N)cc2nc(N)oc12 73639284 343571095 /nfs/dbraw/zinc/57/10/95/343571095.db2.gz LNYUPTPDKAWJSL-UHFFFAOYSA-N 0 0 163.180 1.301 10 0 ADAERN Nc1ccc(-c2nccs2)cn1 74307156 343572116 /nfs/dbraw/zinc/57/21/16/343572116.db2.gz XVBMWWFKZCBVPR-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cn1cc(C=O)c2cc(O)ccc21 74308944 343572189 /nfs/dbraw/zinc/57/21/89/343572189.db2.gz UWUDPEJAJDVWTL-UHFFFAOYSA-N 0 0 175.187 1.696 10 0 ADAERN Nc1ccc(Cc2ccccc2)nn1 74281480 343572317 /nfs/dbraw/zinc/57/23/17/343572317.db2.gz UFUBQPZTPSJGMW-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1ccc(-c2cncs2)cn1 74307154 343572328 /nfs/dbraw/zinc/57/23/28/343572328.db2.gz UZVCDAHLQBTUSU-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1nc2cc(N)c(F)cc2o1 74338383 343572367 /nfs/dbraw/zinc/57/23/67/343572367.db2.gz ANKNFVMLLVBEEN-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN CC(C)C[C@@H](N)c1ncco1 74342894 343572568 /nfs/dbraw/zinc/57/25/68/343572568.db2.gz SWWSZTLTMPOZOT-SSDOTTSWSA-N 0 0 154.213 1.721 10 0 ADAERN Cc1nc2c(C=O)cccc2[nH]1 74341914 343572701 /nfs/dbraw/zinc/57/27/01/343572701.db2.gz RRUXUSZQBIKFAP-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN Cc1cn2cc(CO)ccc2n1 74545630 343572789 /nfs/dbraw/zinc/57/27/89/343572789.db2.gz DLPGUWYZHRBYNH-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cc1cnc2cc(C=O)ccn12 74341900 343572905 /nfs/dbraw/zinc/57/29/05/343572905.db2.gz DRGJJGIUTPEPKH-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CC(C)CC(=O)NCc1cscn1 74800725 343573735 /nfs/dbraw/zinc/57/37/35/343573735.db2.gz IBTHHSQLQAZGSM-UHFFFAOYSA-N 0 0 198.291 1.805 10 0 ADAERN O=C(NCc1cscn1)C1CCC1 74800738 343573752 /nfs/dbraw/zinc/57/37/52/343573752.db2.gz IYVMKKPEYIJVHL-UHFFFAOYSA-N 0 0 196.275 1.559 10 0 ADAERN CCCCC(=O)NCc1cscn1 74800724 343573920 /nfs/dbraw/zinc/57/39/20/343573920.db2.gz ZPHHMXPHVFOOOR-UHFFFAOYSA-N 0 0 198.291 1.950 10 0 ADAERN CCC(=O)Nc1ccc2nccn2c1 74859399 343574273 /nfs/dbraw/zinc/57/42/73/343574273.db2.gz VWGYDBLKEYGMRL-UHFFFAOYSA-N 0 0 189.218 1.683 10 0 ADAERN CN(C[C@@H]1CCCO1)C(=O)C1CCC1 74855087 343574336 /nfs/dbraw/zinc/57/43/36/343574336.db2.gz KIDBRGYUVUVUBN-JTQLQIEISA-N 0 0 197.278 1.424 10 0 ADAERN CCCCC(=O)N(C)C[C@H]1CCCO1 74854911 343574412 /nfs/dbraw/zinc/57/44/12/343574412.db2.gz YEGUQCUELJPDMD-SNVBAGLBSA-N 0 0 199.294 1.814 10 0 ADAERN CCCCC(=O)N(C)C[C@@H]1CCCO1 74854910 343574515 /nfs/dbraw/zinc/57/45/15/343574515.db2.gz YEGUQCUELJPDMD-JTQLQIEISA-N 0 0 199.294 1.814 10 0 ADAERN CN(C[C@H]1CCCO1)C(=O)C1CCC1 74855088 343574550 /nfs/dbraw/zinc/57/45/50/343574550.db2.gz KIDBRGYUVUVUBN-SNVBAGLBSA-N 0 0 197.278 1.424 10 0 ADAERN CC(C)CC(=O)N(C)C[C@@H]1CCCO1 74854913 343574566 /nfs/dbraw/zinc/57/45/66/343574566.db2.gz KPZQZBTZCWAKPF-JTQLQIEISA-N 0 0 199.294 1.670 10 0 ADAERN CCCNC(=O)NCc1cscn1 74902983 343574901 /nfs/dbraw/zinc/57/49/01/343574901.db2.gz NTPPJTVZBSWEOE-UHFFFAOYSA-N 0 0 199.279 1.352 10 0 ADAERN O=C(N[C@H]1CCC[C@H](O)C1)C1CCC1 75156774 343575933 /nfs/dbraw/zinc/57/59/33/343575933.db2.gz TZWJCDBJQJQNON-UWVGGRQHSA-N 0 0 197.278 1.206 10 0 ADAERN O=C(N[C@@H]1CCC[C@@H](O)C1)C1CCC1 75156775 343575950 /nfs/dbraw/zinc/57/59/50/343575950.db2.gz TZWJCDBJQJQNON-NXEZZACHSA-N 0 0 197.278 1.206 10 0 ADAERN O=C(N[C@@H]1CCC[C@H](O)C1)C1CCC1 75156773 343576150 /nfs/dbraw/zinc/57/61/50/343576150.db2.gz TZWJCDBJQJQNON-ZJUUUORDSA-N 0 0 197.278 1.206 10 0 ADAERN CCOC(=O)c1[nH]cnc1SC 75252967 343576171 /nfs/dbraw/zinc/57/61/71/343576171.db2.gz ITUZHYJGARQIOX-UHFFFAOYSA-N 0 0 186.236 1.308 10 0 ADAERN O=C(N[C@H]1CCC[C@@H](O)C1)C1CCC1 75156776 343576200 /nfs/dbraw/zinc/57/62/00/343576200.db2.gz TZWJCDBJQJQNON-VHSXEESVSA-N 0 0 197.278 1.206 10 0 ADAERN CC(C)Nn1c(N)nc2ccccc21 75283044 343576804 /nfs/dbraw/zinc/57/68/04/343576804.db2.gz VFMJFSXEXUXDFB-UHFFFAOYSA-N 0 0 190.250 1.570 10 0 ADAERN C[C@H](O)Cc1ccccc1O 75539408 343577099 /nfs/dbraw/zinc/57/70/99/343577099.db2.gz HQIVJIVEUGNTQM-ZETCQYMHSA-N 0 0 152.193 1.316 10 0 ADAERN C[C@H]1CNc2cccc(O)c21 75538393 343577174 /nfs/dbraw/zinc/57/71/74/343577174.db2.gz VWKHFAKBJPIQGI-LURJTMIESA-N 0 0 149.193 1.921 10 0 ADAERN CCc1nc(N)c(C(=O)OC)s1 75577228 343577549 /nfs/dbraw/zinc/57/75/49/343577549.db2.gz UZEGDNGSRZILQN-UHFFFAOYSA-N 0 0 186.236 1.074 10 0 ADAERN Cc1cn(-c2ccc(O)cc2)cn1 75564507 343577716 /nfs/dbraw/zinc/57/77/16/343577716.db2.gz HXTJXXYPMRYMNG-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CCc1nc2ncccn2c1C=O 75565247 343577888 /nfs/dbraw/zinc/57/78/88/343577888.db2.gz XRKXKPCJLKZDEC-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CO[C@@H](C=O)CCc1ccccc1 75568559 343577854 /nfs/dbraw/zinc/57/78/54/343577854.db2.gz MUOWFULMNBAIIY-LLVKDONJSA-N 0 0 178.231 1.833 10 0 ADAERN CCc1nc2ccccn2c1C=O 75564523 343577954 /nfs/dbraw/zinc/57/79/54/343577954.db2.gz VBUGWAVMTICRFW-UHFFFAOYSA-N 0 0 174.203 1.709 10 0 ADAERN Cc1nccn1-c1ccccn1 75838632 343578067 /nfs/dbraw/zinc/57/80/67/343578067.db2.gz MWFPEJFADVANDJ-UHFFFAOYSA-N 0 0 159.192 1.576 10 0 ADAERN C[C@@H](C=O)C(=O)OCC1CCCCC1 75600703 343578098 /nfs/dbraw/zinc/57/80/98/343578098.db2.gz RDCBHUWOOVKWFN-VIFPVBQESA-N 0 0 198.262 1.945 10 0 ADAERN Cc1ccnn1C1CC1 75838750 343578138 /nfs/dbraw/zinc/57/81/38/343578138.db2.gz PDQIHHDEBPSJCE-UHFFFAOYSA-N 0 0 122.171 1.526 10 0 ADAERN Cc1cc(NC(C)C)no1 75825469 343578156 /nfs/dbraw/zinc/57/81/56/343578156.db2.gz DMKNIKJDHSNKAJ-UHFFFAOYSA-N 0 0 140.186 1.803 10 0 ADAERN C[C@H](C=O)C(=O)OCC1CCCCC1 75600705 343578238 /nfs/dbraw/zinc/57/82/38/343578238.db2.gz RDCBHUWOOVKWFN-SECBINFHSA-N 0 0 198.262 1.945 10 0 ADAERN Cc1nccn1C(C)(C)C 75838597 343578317 /nfs/dbraw/zinc/57/83/17/343578317.db2.gz GQXYWNIQPPUOEU-UHFFFAOYSA-N 0 0 138.214 1.947 10 0 ADAERN CN(C)c1ccc2cn[nH]c2c1 75903324 343578569 /nfs/dbraw/zinc/57/85/69/343578569.db2.gz OGUFBRCDGKSMNR-UHFFFAOYSA-N 0 0 161.208 1.629 10 0 ADAERN CC(C)n1ccnc1C(C)(C)O 75846032 343578574 /nfs/dbraw/zinc/57/85/74/343578574.db2.gz CWNUWGXMWLISSL-UHFFFAOYSA-N 0 0 168.240 1.691 10 0 ADAERN Cc1n[nH]cc1-c1ccc(N)nc1 75878025 343578683 /nfs/dbraw/zinc/57/86/83/343578683.db2.gz VCEYEWSOTGOHBA-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN CNC(=O)c1cccc(OC)c1F 75852437 343578746 /nfs/dbraw/zinc/57/87/46/343578746.db2.gz HJPYMQANYMILEV-UHFFFAOYSA-N 0 0 183.182 1.194 10 0 ADAERN CNC(=O)c1ccc(F)c(Cl)c1 75852469 343578756 /nfs/dbraw/zinc/57/87/56/343578756.db2.gz FHYOKHBHKIRBNR-UHFFFAOYSA-N 0 0 187.601 1.839 10 0 ADAERN C[C@](O)(c1cn[nH]c1)C(F)(F)F 75846222 343578804 /nfs/dbraw/zinc/57/88/04/343578804.db2.gz HLMMRQPOLBEXKJ-YFKPBYRVSA-N 0 0 180.129 1.180 10 0 ADAERN CNC(=O)c1nc2cccnc2s1 75852534 343578823 /nfs/dbraw/zinc/57/88/23/343578823.db2.gz DKMRMRWTAXQSNS-UHFFFAOYSA-N 0 0 193.231 1.051 10 0 ADAERN CNC(=O)c1cccc(C)c1F 75852435 343578956 /nfs/dbraw/zinc/57/89/56/343578956.db2.gz FFEFALSCWABSQJ-UHFFFAOYSA-N 0 0 167.183 1.494 10 0 ADAERN CNC(=S)c1ccc(O)cc1 75856509 343578964 /nfs/dbraw/zinc/57/89/64/343578964.db2.gz XPTDMEIVYUVPPI-UHFFFAOYSA-N 0 0 167.233 1.287 10 0 ADAERN C[C@@](O)(c1cn[nH]c1)C(F)(F)F 75846221 343578996 /nfs/dbraw/zinc/57/89/96/343578996.db2.gz HLMMRQPOLBEXKJ-RXMQYKEDSA-N 0 0 180.129 1.180 10 0 ADAERN Cc1nc2ccc(CO)cc2n1C 76209911 343579275 /nfs/dbraw/zinc/57/92/75/343579275.db2.gz KTAKEFLDQMBCPL-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN CNC(=O)c1cccc2c1NCC2 76189710 343579353 /nfs/dbraw/zinc/57/93/53/343579353.db2.gz VGZFKNRURKBMQJ-UHFFFAOYSA-N 0 0 176.219 1.014 10 0 ADAERN CCc1nc(C)ncc1C=O 76578008 343579630 /nfs/dbraw/zinc/57/96/30/343579630.db2.gz LANUMGAGGSGPMY-UHFFFAOYSA-N 0 0 150.181 1.160 10 0 ADAERN CC[C@@H]1Nc2cc(F)ccc2NC1=O 76887641 343579826 /nfs/dbraw/zinc/57/98/26/343579826.db2.gz CTEUZUNLVCGQSW-ZETCQYMHSA-N 0 0 194.209 1.968 10 0 ADAERN CCn1c(=O)ccc2cc(N)ccc21 77007085 343579841 /nfs/dbraw/zinc/57/98/41/343579841.db2.gz SCJKXIZTWVPWIZ-UHFFFAOYSA-N 0 0 188.230 1.604 10 0 ADAERN CCc1ccc(NC(C)=O)c(N)c1 76860024 343579942 /nfs/dbraw/zinc/57/99/42/343579942.db2.gz LHGOCOFEFKAPSB-UHFFFAOYSA-N 0 0 178.235 1.790 10 0 ADAERN Cc1[nH]c2cccc(O)c2c1C=O 76600688 343580195 /nfs/dbraw/zinc/58/01/95/343580195.db2.gz LVAXUQDBFUKUIX-UHFFFAOYSA-N 0 0 175.187 1.994 10 0 ADAERN CCCCC(=O)N[C@H]1CCC[C@H](O)C1 77102438 343580469 /nfs/dbraw/zinc/58/04/69/343580469.db2.gz HRVDYFQATYUEDT-UWVGGRQHSA-N 0 0 199.294 1.596 10 0 ADAERN CC(C)CC(=O)N[C@H]1CCC[C@@H](O)C1 77102444 343580528 /nfs/dbraw/zinc/58/05/28/343580528.db2.gz CWXGJAVHVVWQPN-VHSXEESVSA-N 0 0 199.294 1.452 10 0 ADAERN CC[C@@H](NC(C)C)C(=O)OC(C)C 77045801 343580558 /nfs/dbraw/zinc/58/05/58/343580558.db2.gz RCXWKOCCBCHRJR-SECBINFHSA-N 0 0 187.283 1.715 10 0 ADAERN CCCCC(=O)N[C@@H]1CCC[C@H](O)C1 77102437 343580592 /nfs/dbraw/zinc/58/05/92/343580592.db2.gz HRVDYFQATYUEDT-ZJUUUORDSA-N 0 0 199.294 1.596 10 0 ADAERN CCCCC(=O)N[C@@H]1CCC[C@@H](O)C1 77102439 343580650 /nfs/dbraw/zinc/58/06/50/343580650.db2.gz HRVDYFQATYUEDT-NXEZZACHSA-N 0 0 199.294 1.596 10 0 ADAERN CC(C)CC(=O)N[C@@H]1CCC[C@H](O)C1 77102441 343580666 /nfs/dbraw/zinc/58/06/66/343580666.db2.gz CWXGJAVHVVWQPN-ZJUUUORDSA-N 0 0 199.294 1.452 10 0 ADAERN CCCCC(=O)N[C@H]1CCC[C@@H](O)C1 77102440 343580667 /nfs/dbraw/zinc/58/06/67/343580667.db2.gz HRVDYFQATYUEDT-VHSXEESVSA-N 0 0 199.294 1.596 10 0 ADAERN CC(C)CC(=O)N[C@H]1CCC[C@H](O)C1 77102442 343580752 /nfs/dbraw/zinc/58/07/52/343580752.db2.gz CWXGJAVHVVWQPN-UWVGGRQHSA-N 0 0 199.294 1.452 10 0 ADAERN CC(C)CC(=O)N[C@@H]1CCC[C@@H](O)C1 77102443 343580847 /nfs/dbraw/zinc/58/08/47/343580847.db2.gz CWXGJAVHVVWQPN-NXEZZACHSA-N 0 0 199.294 1.452 10 0 ADAERN CCOC(=O)CCc1cccnc1N 77868730 343581299 /nfs/dbraw/zinc/58/12/99/343581299.db2.gz GSWUMIGXXXSVEV-UHFFFAOYSA-N 0 0 194.234 1.160 10 0 ADAERN COC(=O)C(C)(C)CCC(C)=O 78041113 343581556 /nfs/dbraw/zinc/58/15/56/343581556.db2.gz SVPIFZUBEVBZOZ-UHFFFAOYSA-N 0 0 172.224 1.555 10 0 ADAERN CCOC(=O)[C@H]1CCC(C)=N1 77943805 343581825 /nfs/dbraw/zinc/58/18/25/343581825.db2.gz FMTWCIPDRLFSMV-SSDOTTSWSA-N 0 0 155.197 1.173 10 0 ADAERN c1ccc2c(c1)sc1ncnn12 78033336 343581871 /nfs/dbraw/zinc/58/18/71/343581871.db2.gz KXTBPEZJLWXNEV-UHFFFAOYSA-N 0 0 175.216 1.944 10 0 ADAERN O=COc1cccc2cccnc12 78243888 343582135 /nfs/dbraw/zinc/58/21/35/343582135.db2.gz DYSHIYVBYZVDHU-UHFFFAOYSA-N 0 0 173.171 1.770 10 0 ADAERN CC[C@@H](O)CC(=O)N1CCCCC1 78364855 343582214 /nfs/dbraw/zinc/58/22/14/343582214.db2.gz UEOWXCVCUXUVPW-SECBINFHSA-N 0 0 185.267 1.160 10 0 ADAERN CC[C@H](O)CC(=O)N1CCCCC1 78364852 343582312 /nfs/dbraw/zinc/58/23/12/343582312.db2.gz UEOWXCVCUXUVPW-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN CCc1nccc(C)n1 78238253 343582366 /nfs/dbraw/zinc/58/23/66/343582366.db2.gz XNWDWIGATDEYAZ-UHFFFAOYSA-N 0 0 122.171 1.347 10 0 ADAERN Cc1cc(N)ccc1N1CCC1 78675901 343583782 /nfs/dbraw/zinc/58/37/82/343583782.db2.gz IPDBDZJRQKUCII-UHFFFAOYSA-N 0 0 162.236 1.787 10 0 ADAERN COCC(=O)N[C@H](C)C1CCCC1 78676853 343583762 /nfs/dbraw/zinc/58/37/62/343583762.db2.gz RIBKHWHVAZZXLF-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CCOCC(=O)N[C@@H](C)C1CCCC1 78676828 343583853 /nfs/dbraw/zinc/58/38/53/343583853.db2.gz OECSZJMGUWWDLC-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN COCC(=O)N[C@@H](C)C1CCCC1 78676849 343583931 /nfs/dbraw/zinc/58/39/31/343583931.db2.gz RIBKHWHVAZZXLF-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CCOCC(=O)N[C@H](C)C1CCCC1 78676832 343583958 /nfs/dbraw/zinc/58/39/58/343583958.db2.gz OECSZJMGUWWDLC-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CC(C)C[C@@H](C)NC=O 78731034 343584322 /nfs/dbraw/zinc/58/43/22/343584322.db2.gz FRKARDZLHRRZMJ-SSDOTTSWSA-N 0 0 129.203 1.167 10 0 ADAERN CC1CCC(NC=O)CC1 78737951 343584359 /nfs/dbraw/zinc/58/43/59/343584359.db2.gz DMRMSLGQEOSSHG-UHFFFAOYSA-N 0 0 141.214 1.311 10 0 ADAERN OCc1nc(-c2ccccc2)co1 78683977 343584411 /nfs/dbraw/zinc/58/44/11/343584411.db2.gz OSCQWZMTHOQKLU-UHFFFAOYSA-N 0 0 175.187 1.834 10 0 ADAERN CC(C)C[C@H](C)NC=O 78731040 343584440 /nfs/dbraw/zinc/58/44/40/343584440.db2.gz FRKARDZLHRRZMJ-ZETCQYMHSA-N 0 0 129.203 1.167 10 0 ADAERN CC[C@H](C)NS(=O)(=O)CC1CC1 78739201 343584582 /nfs/dbraw/zinc/58/45/82/343584582.db2.gz NCFAGGCHFFHFHK-ZETCQYMHSA-N 0 0 191.296 1.114 10 0 ADAERN CC(=O)NC[C@H](C)C(C)C 78737944 343584602 /nfs/dbraw/zinc/58/46/02/343584602.db2.gz JDTMBHXEBVXJRF-ZETCQYMHSA-N 0 0 143.230 1.415 10 0 ADAERN CC[C@@H](C)NS(=O)(=O)CC1CC1 78739197 343584611 /nfs/dbraw/zinc/58/46/11/343584611.db2.gz NCFAGGCHFFHFHK-SSDOTTSWSA-N 0 0 191.296 1.114 10 0 ADAERN CC(=O)NC[C@@H](C)C(C)C 78737947 343584630 /nfs/dbraw/zinc/58/46/30/343584630.db2.gz JDTMBHXEBVXJRF-SSDOTTSWSA-N 0 0 143.230 1.415 10 0 ADAERN O=CC1=NN(c2ccccc2)CC1 78761231 343584949 /nfs/dbraw/zinc/58/49/49/343584949.db2.gz IKFIOWYFHYFZBU-UHFFFAOYSA-N 0 0 174.203 1.452 10 0 ADAERN COCC1(C(N)=O)CCCCC1 78749695 343584996 /nfs/dbraw/zinc/58/49/96/343584996.db2.gz JDCHJVYPOKPTRM-UHFFFAOYSA-N 0 0 171.240 1.069 10 0 ADAERN Cc1cc(C)nc(NCC[C@@H](C)O)n1 78771415 343585165 /nfs/dbraw/zinc/58/51/65/343585165.db2.gz MCQFFYAGBKEVHO-SECBINFHSA-N 0 0 195.266 1.276 10 0 ADAERN CCc1cc(NCC[C@@H](C)O)ncn1 78771340 343585166 /nfs/dbraw/zinc/58/51/66/343585166.db2.gz YFMKETUQBPLYCB-MRVPVSSYSA-N 0 0 195.266 1.222 10 0 ADAERN C[C@@H](O)CCNc1ccccn1 78777180 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343606982 /nfs/dbraw/zinc/60/69/82/343606982.db2.gz RCLORZRUGMDITM-SDLBARTOSA-N 0 0 157.169 1.203 10 0 ADAERN OC1C[C@@H]2CC[C@H](C1)N2CC(F)F 82598175 343607143 /nfs/dbraw/zinc/60/71/43/343607143.db2.gz RDGSJYIINCXDEI-DHBOJHSNSA-N 0 0 191.221 1.239 10 0 ADAERN Cc1nc2cc(NC(N)=O)ccc2[nH]1 82588360 343607187 /nfs/dbraw/zinc/60/71/87/343607187.db2.gz NQZSFLUYIKRXSH-UHFFFAOYSA-N 0 0 190.206 1.362 10 0 ADAERN Cc1ccc2c(c1)N(C)C(=O)C2=O 82587768 343607231 /nfs/dbraw/zinc/60/72/31/343607231.db2.gz AEOQFQOBJVUSDK-UHFFFAOYSA-N 0 0 175.187 1.154 10 0 ADAERN Cc1cccc2c(CC(N)=O)c[nH]c12 82588194 343607277 /nfs/dbraw/zinc/60/72/77/343607277.db2.gz CXPYFWJRWFGIIQ-UHFFFAOYSA-N 0 0 188.230 1.504 10 0 ADAERN Cc1nccn1C(F)F 82615274 343607787 /nfs/dbraw/zinc/60/77/87/343607787.db2.gz JFINHELVHVKPMZ-UHFFFAOYSA-N 0 0 132.113 1.587 10 0 ADAERN Cc1cc(C)n(Cc2ccno2)n1 82615116 343607944 /nfs/dbraw/zinc/60/79/44/343607944.db2.gz QQZYBJUTJAAKNV-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN CC(C)CCNC(=O)Cn1ccnc1 82615255 343607995 /nfs/dbraw/zinc/60/79/95/343607995.db2.gz PLQOWAUKAYGPMQ-UHFFFAOYSA-N 0 0 195.266 1.045 10 0 ADAERN c1cnn(C[C@H]2CCCCO2)c1 82614997 343608014 /nfs/dbraw/zinc/60/80/14/343608014.db2.gz QWYOGQDKSNAOMX-SECBINFHSA-N 0 0 166.224 1.452 10 0 ADAERN Cc1cc(C)n(Cc2nccn2C)n1 82615093 343608107 /nfs/dbraw/zinc/60/81/07/343608107.db2.gz AGMPBHOVVHJSGG-UHFFFAOYSA-N 0 0 190.250 1.282 10 0 ADAERN COCCCS[C@@H](C)C(C)=O 82629825 343608419 /nfs/dbraw/zinc/60/84/19/343608419.db2.gz DUVJNZBEAGZQFS-QMMMGPOBSA-N 0 0 176.281 1.734 10 0 ADAERN COCCCSCC(C)=O 82629865 343608424 /nfs/dbraw/zinc/60/84/24/343608424.db2.gz HBNAVCKJFUAPRQ-UHFFFAOYSA-N 0 0 162.254 1.345 10 0 ADAERN COCCCS[C@H](C)C(C)=O 82629826 343608649 /nfs/dbraw/zinc/60/86/49/343608649.db2.gz DUVJNZBEAGZQFS-MRVPVSSYSA-N 0 0 176.281 1.734 10 0 ADAERN CSC[C@@H](O)C(F)(F)F 82680531 343609635 /nfs/dbraw/zinc/60/96/35/343609635.db2.gz ZFDWQRRKAYHNMR-GSVOUGTGSA-N 0 0 160.160 1.273 10 0 ADAERN CSC[C@H](O)C(F)(F)F 82680530 343609684 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343610829 /nfs/dbraw/zinc/61/08/29/343610829.db2.gz UPDANDJGXOZIQV-UHFFFAOYSA-N 0 0 199.294 1.575 10 0 ADAERN CCC[C@H](C)C(=O)NCC1(C)COC1 82693889 343610856 /nfs/dbraw/zinc/61/08/56/343610856.db2.gz WASASTLSTXBUFC-VIFPVBQESA-N 0 0 199.294 1.575 10 0 ADAERN CCC[C@@H](C)C(=O)NCC1(C)COC1 82693888 343610908 /nfs/dbraw/zinc/61/09/08/343610908.db2.gz WASASTLSTXBUFC-SECBINFHSA-N 0 0 199.294 1.575 10 0 ADAERN CCCCC(=O)NCC1(C)COC1 82693913 343610912 /nfs/dbraw/zinc/61/09/12/343610912.db2.gz IVOXTFKBPJYZFG-UHFFFAOYSA-N 0 0 185.267 1.329 10 0 ADAERN CCCCCC(=O)NCC1(C)COC1 82693927 343610921 /nfs/dbraw/zinc/61/09/21/343610921.db2.gz MFKOTCSJUVSJLC-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CC(C)(C)CC(=O)NCC1(C)COC1 82693897 343610939 /nfs/dbraw/zinc/61/09/39/343610939.db2.gz ZWHFGFSJQHXGBB-UHFFFAOYSA-N 0 0 199.294 1.575 10 0 ADAERN CCC(CC)C(=O)NCC1(C)COC1 82693886 343610942 /nfs/dbraw/zinc/61/09/42/343610942.db2.gz GCIYTWQMONYTJS-UHFFFAOYSA-N 0 0 199.294 1.575 10 0 ADAERN CC(C)CC(=O)NCC1(C)COC1 82693921 343611050 /nfs/dbraw/zinc/61/10/50/343611050.db2.gz VLPPPICCFLKOAP-UHFFFAOYSA-N 0 0 185.267 1.185 10 0 ADAERN CC(C)[C@@H](C)C(=O)NCC1(C)COC1 82699103 343611073 /nfs/dbraw/zinc/61/10/73/343611073.db2.gz DLGCPHBCLREUAZ-SECBINFHSA-N 0 0 199.294 1.431 10 0 ADAERN C[C@@H](O)CCNC(=O)C[C@@H]1C=CCC1 82730508 343611206 /nfs/dbraw/zinc/61/12/06/343611206.db2.gz SCAUJYPMSSKPMA-NXEZZACHSA-N 0 0 197.278 1.230 10 0 ADAERN CC(C)OC(=O)CCn1cccn1 82719751 343611277 /nfs/dbraw/zinc/61/12/77/343611277.db2.gz KRTSAEHKARUGAO-UHFFFAOYSA-N 0 0 182.223 1.225 10 0 ADAERN C[C@@H](O)CCNC(=O)C[C@H]1C=CCC1 82730506 343611313 /nfs/dbraw/zinc/61/13/13/343611313.db2.gz SCAUJYPMSSKPMA-ZJUUUORDSA-N 0 0 197.278 1.230 10 0 ADAERN CCC1(CC)CC(=O)N1 82762446 343611967 /nfs/dbraw/zinc/61/19/67/343611967.db2.gz DUYXBAULRMVUTC-UHFFFAOYSA-N 0 0 127.187 1.065 10 0 ADAERN C=Cc1c(C)nn(C)c1C 82762128 343612096 /nfs/dbraw/zinc/61/20/96/343612096.db2.gz NPOJBFOONLZFLA-UHFFFAOYSA-N 0 0 136.198 1.680 10 0 ADAERN 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343619742 /nfs/dbraw/zinc/61/97/42/343619742.db2.gz AYMOIUZENOLGFF-UHFFFAOYSA-N 0 0 197.238 1.255 10 0 ADAERN O=C([O-])C1C[NH+](C2CCCCCC2)C1 83416331 343620056 /nfs/dbraw/zinc/62/00/56/343620056.db2.gz CNZWJXNQPJEBPC-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@](C)(O)CNc1cccnn1 83466616 343620209 /nfs/dbraw/zinc/62/02/09/343620209.db2.gz LQEJMQNNXIPPSH-VIFPVBQESA-N 0 0 181.239 1.050 10 0 ADAERN CC[C@@](C)(O)CNc1cccnn1 83466617 343620251 /nfs/dbraw/zinc/62/02/51/343620251.db2.gz LQEJMQNNXIPPSH-SECBINFHSA-N 0 0 181.239 1.050 10 0 ADAERN CCC(O)(CC)CNc1cccnn1 83466678 343620340 /nfs/dbraw/zinc/62/03/40/343620340.db2.gz SDKKTXBNPBDXKP-UHFFFAOYSA-N 0 0 195.266 1.440 10 0 ADAERN CCCCC1(O)CCOCC1 83504128 343620928 /nfs/dbraw/zinc/62/09/28/343620928.db2.gz DUJHTSYFVUIFBP-UHFFFAOYSA-N 0 0 158.241 1.718 10 0 ADAERN CCOCCCn1nc(C)cc1C 83553307 343621425 /nfs/dbraw/zinc/62/14/25/343621425.db2.gz CCILXRHWEIFEFZ-UHFFFAOYSA-N 0 0 182.267 1.927 10 0 ADAERN CCOCCCSCCO 83552461 343621442 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/nfs/dbraw/zinc/63/26/09/343632609.db2.gz QMVDWHMCJYQVAT-BDAKNGLRSA-N 0 0 193.250 1.050 10 0 ADAERN COC(=O)[C@@H]1CCCC[C@@H]1OC 84230313 343632625 /nfs/dbraw/zinc/63/26/25/343632625.db2.gz QMSODJYZWRHGBL-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN O[C@@H]1CCC[C@H]1CNc1ccccn1 84232827 343632640 /nfs/dbraw/zinc/63/26/40/343632640.db2.gz ARZXQMREAOTXRP-VHSXEESVSA-N 0 0 192.262 1.655 10 0 ADAERN O[C@@H]1CCC[C@H]1CNc1cnccn1 84233267 343632656 /nfs/dbraw/zinc/63/26/56/343632656.db2.gz POGZKTWYCHFKFH-DTWKUNHWSA-N 0 0 193.250 1.050 10 0 ADAERN O[C@@H]1CCC[C@@H]1CNc1ncccn1 84233452 343632678 /nfs/dbraw/zinc/63/26/78/343632678.db2.gz HCYWZAZDESQGEM-RKDXNWHRSA-N 0 0 193.250 1.050 10 0 ADAERN COC(=O)[C@H]1CCCC[C@@H]1OC 84230306 343632710 /nfs/dbraw/zinc/63/27/10/343632710.db2.gz QMSODJYZWRHGBL-YUMQZZPRSA-N 0 0 172.224 1.365 10 0 ADAERN COC(=O)[C@H]1CCCC[C@H]1OC 84230302 343632748 /nfs/dbraw/zinc/63/27/48/343632748.db2.gz QMSODJYZWRHGBL-JGVFFNPUSA-N 0 0 172.224 1.365 10 0 ADAERN 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86897465 343657493 /nfs/dbraw/zinc/65/74/93/343657493.db2.gz RUXDZYKPXMQICT-VOTSOKGWSA-N 0 0 157.213 1.015 10 0 ADAERN C[C@H](CO)CS[C@H](C)[C@@H](C)O 87137248 343657670 /nfs/dbraw/zinc/65/76/70/343657670.db2.gz DHFMSCAIQGZPNP-BWZBUEFSSA-N 0 0 178.297 1.117 10 0 ADAERN CCC1(C)CCN(N)CC1 87100684 343657716 /nfs/dbraw/zinc/65/77/16/343657716.db2.gz QKTLECUCXRSDHE-UHFFFAOYSA-N 0 0 142.246 1.372 10 0 ADAERN COc1nc2ccc(N)cc2o1 87116927 343657753 /nfs/dbraw/zinc/65/77/53/343657753.db2.gz BTWRVSGKDXABOJ-UHFFFAOYSA-N 0 0 164.164 1.419 10 0 ADAERN C[C@H](SC[C@H](C)CO)[C@@H](C)O 87137241 343657944 /nfs/dbraw/zinc/65/79/44/343657944.db2.gz DHFMSCAIQGZPNP-PRJMDXOYSA-N 0 0 178.297 1.117 10 0 ADAERN CNC(=O)Cc1cccc(F)c1F 87196468 343658164 /nfs/dbraw/zinc/65/81/64/343658164.db2.gz CZTADUUAYUJENA-UHFFFAOYSA-N 0 0 185.173 1.253 10 0 ADAERN CCN(CC)C(=O)[C@@]1(C)CCCO1 87230367 343658175 /nfs/dbraw/zinc/65/81/75/343658175.db2.gz RUZMBTOUJXLQBB-SNVBAGLBSA-N 0 0 185.267 1.424 10 0 ADAERN CC(C)[C@@]1(CO)CCOC1 87155593 343658188 /nfs/dbraw/zinc/65/81/88/343658188.db2.gz HTOIXIDAPFWFJA-MRVPVSSYSA-N 0 0 144.214 1.041 10 0 ADAERN CC(C)OC(=O)CCc1cccnc1 87222937 343658202 /nfs/dbraw/zinc/65/82/02/343658202.db2.gz QUPDZAOULBOCBX-UHFFFAOYSA-N 0 0 193.246 1.966 10 0 ADAERN COC(=O)c1ccc(CSC)nc1 87223265 343658205 /nfs/dbraw/zinc/65/82/05/343658205.db2.gz ABXUDDLUJFQWEU-UHFFFAOYSA-N 0 0 197.259 1.731 10 0 ADAERN C[C@]1(C(=O)N2CCCC2)CCCO1 87230368 343658300 /nfs/dbraw/zinc/65/83/00/343658300.db2.gz NXSLYEVYDDYYFW-SNVBAGLBSA-N 0 0 183.251 1.178 10 0 ADAERN C[C@@]1(C(=O)N2CCCCC2)CCCO1 87230371 343658342 /nfs/dbraw/zinc/65/83/42/343658342.db2.gz STLXLFHPKXRYTK-NSHDSACASA-N 0 0 197.278 1.568 10 0 ADAERN C[C@@]1(C(=O)N2CCCC2)CCCO1 87230369 343658399 /nfs/dbraw/zinc/65/83/99/343658399.db2.gz NXSLYEVYDDYYFW-JTQLQIEISA-N 0 0 183.251 1.178 10 0 ADAERN C=Cc1cccc(-n2cnnn2)c1 87198213 343658420 /nfs/dbraw/zinc/65/84/20/343658420.db2.gz KAFILPNMNXQTDL-UHFFFAOYSA-N 0 0 172.191 1.305 10 0 ADAERN CCN(CC)C(=O)[C@]1(C)CCCO1 87230366 343658516 /nfs/dbraw/zinc/65/85/16/343658516.db2.gz RUZMBTOUJXLQBB-JTQLQIEISA-N 0 0 185.267 1.424 10 0 ADAERN C=Cc1cn(C)nc1C 87198241 343658524 /nfs/dbraw/zinc/65/85/24/343658524.db2.gz LNMCFPSTJULCAS-UHFFFAOYSA-N 0 0 122.171 1.372 10 0 ADAERN CC(C)NC(=O)[C@@]1(C)CCCO1 87230357 343658537 /nfs/dbraw/zinc/65/85/37/343658537.db2.gz XDZRUWPFOIGOAM-SECBINFHSA-N 0 0 171.240 1.080 10 0 ADAERN CCCNC(=O)[C@]1(C)CCCO1 87230354 343658550 /nfs/dbraw/zinc/65/85/50/343658550.db2.gz DUOUTFOSSPDMDM-VIFPVBQESA-N 0 0 171.240 1.082 10 0 ADAERN CC(C)CNC(=O)[C@@]1(C)CCCO1 87230383 343658983 /nfs/dbraw/zinc/65/89/83/343658983.db2.gz QUTLWFFOMQEVFI-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)OC(=O)[C@@]1(C)CCCO1 87230403 343658992 /nfs/dbraw/zinc/65/89/92/343658992.db2.gz DPWUFCMAIYFLBF-SECBINFHSA-N 0 0 172.224 1.507 10 0 ADAERN CC[C@H](C)NC(=O)[C@]1(C)CCCO1 87230375 343659059 /nfs/dbraw/zinc/65/90/59/343659059.db2.gz FDPCLCTXIDXLTE-WPRPVWTQSA-N 0 0 185.267 1.470 10 0 ADAERN CC1(c2nnc(N)s2)CCCC1 87317177 343659944 /nfs/dbraw/zinc/65/99/44/343659944.db2.gz YURIVJRTKPILOP-UHFFFAOYSA-N 0 0 183.280 1.952 10 0 ADAERN CC1(C(=O)N2CC(CO)C2)CCCC1 87317769 343659962 /nfs/dbraw/zinc/65/99/62/343659962.db2.gz MKASWOLURGWLFL-UHFFFAOYSA-N 0 0 197.278 1.017 10 0 ADAERN C[C@H](O)c1cccc2c1cnn2C 87493353 343661678 /nfs/dbraw/zinc/66/16/78/343661678.db2.gz FLGUHGLQYCNEFN-ZETCQYMHSA-N 0 0 176.219 1.627 10 0 ADAERN C[C@H](O)c1ccc2c(cnn2C)c1 87493355 343661686 /nfs/dbraw/zinc/66/16/86/343661686.db2.gz KPQZSKBOLKCQHS-ZETCQYMHSA-N 0 0 176.219 1.627 10 0 ADAERN C[C@H](O)c1cccc2c[nH]nc12 87493328 343661693 /nfs/dbraw/zinc/66/16/93/343661693.db2.gz IYBAOWXRLUWOMF-LURJTMIESA-N 0 0 162.192 1.616 10 0 ADAERN CC1=CS[C@@](C)(OC(=O)[O-])[C@@H]1[NH3+] 87491375 343661788 /nfs/dbraw/zinc/66/17/88/343661788.db2.gz IGYYKRCYUJWQSV-IYSWYEEDSA-N 0 0 189.236 1.375 10 0 ADAERN Cc1ccc2c(cnn2C)c1C=O 87493377 343661897 /nfs/dbraw/zinc/66/18/97/343661897.db2.gz DMBJZNKQSFPAQB-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/66/22/82/343662282.db2.gz ZSUKSBMTSIHEFO-SECBINFHSA-N 0 0 168.240 1.208 10 0 ADAERN Cc1ncn(C[C@H](O)C(C)C)c1C 87539126 343662309 /nfs/dbraw/zinc/66/23/09/343662309.db2.gz XIPNMOHNYKYWAH-JTQLQIEISA-N 0 0 182.267 1.517 10 0 ADAERN Cc1ncn(C[C@@H](O)C(C)C)c1C 87539127 343662318 /nfs/dbraw/zinc/66/23/18/343662318.db2.gz XIPNMOHNYKYWAH-SNVBAGLBSA-N 0 0 182.267 1.517 10 0 ADAERN CNC(=O)c1sccc1Cl 87721514 343663416 /nfs/dbraw/zinc/66/34/16/343663416.db2.gz GVWGNNKMURRQHN-UHFFFAOYSA-N 0 0 175.640 1.761 10 0 ADAERN CCc1nccn1CCF 87777379 343664101 /nfs/dbraw/zinc/66/41/01/343664101.db2.gz DXZOZVDHQBFZSX-UHFFFAOYSA-N 0 0 142.177 1.415 10 0 ADAERN COc1cc(N)cc(SCCO)c1 87797267 343664861 /nfs/dbraw/zinc/66/48/61/343664861.db2.gz ABGSSSIHDYWBBY-UHFFFAOYSA-N 0 0 199.275 1.362 10 0 ADAERN CC(C)NC(=O)[C@@H]1CC[C@H](C)O1 87908335 343665463 /nfs/dbraw/zinc/66/54/63/343665463.db2.gz RMTWXNNNJAYTAQ-YUMQZZPRSA-N 0 0 171.240 1.079 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)NC2CCCC2)O1 87908464 343665473 /nfs/dbraw/zinc/66/54/73/343665473.db2.gz MVCISXXNVYXZII-SCZZXKLOSA-N 0 0 197.278 1.613 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)NC(C)(C)C)O1 87917228 343665503 /nfs/dbraw/zinc/66/55/03/343665503.db2.gz SZGYQEGPDHOKKM-YUMQZZPRSA-N 0 0 185.267 1.469 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 87908347 343665526 /nfs/dbraw/zinc/66/55/26/343665526.db2.gz URTVYCNFGMRHIW-RKDXNWHRSA-N 0 0 183.251 1.176 10 0 ADAERN CC(C)OC(=O)[C@H]1CC[C@H](C)O1 87924245 343665540 /nfs/dbraw/zinc/66/55/40/343665540.db2.gz LDVLHSXUPOEYRF-JGVFFNPUSA-N 0 0 172.224 1.506 10 0 ADAERN CC(C)OC(=O)[C@H]1CC[C@@H](C)O1 87924244 343665544 /nfs/dbraw/zinc/66/55/44/343665544.db2.gz LDVLHSXUPOEYRF-HTQZYQBOSA-N 0 0 172.224 1.506 10 0 ADAERN C[C@H]1CC[C@H](C(=O)NC2CCCC2)O1 87908463 343665549 /nfs/dbraw/zinc/66/55/49/343665549.db2.gz MVCISXXNVYXZII-WCBMZHEXSA-N 0 0 197.278 1.613 10 0 ADAERN CC(C)CNC(=O)[C@@H]1CC[C@H](C)O1 87908459 343665559 /nfs/dbraw/zinc/66/55/59/343665559.db2.gz NTCBZRMOYNDAHZ-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)NC(=O)[C@H]1CC[C@@H](C)O1 87908332 343665587 /nfs/dbraw/zinc/66/55/87/343665587.db2.gz RMTWXNNNJAYTAQ-HTQZYQBOSA-N 0 0 171.240 1.079 10 0 ADAERN CC(C)CNC(=O)[C@@H]1CC[C@@H](C)O1 87908458 343665596 /nfs/dbraw/zinc/66/55/96/343665596.db2.gz NTCBZRMOYNDAHZ-BDAKNGLRSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)N2CCCCC2)O1 87908342 343665625 /nfs/dbraw/zinc/66/56/25/343665625.db2.gz YNOWGBZRVSVVLU-UWVGGRQHSA-N 0 0 197.278 1.566 10 0 ADAERN CC(C)OC(=O)[C@@H]1CC[C@@H](C)O1 87924246 343665631 /nfs/dbraw/zinc/66/56/31/343665631.db2.gz LDVLHSXUPOEYRF-SFYZADRCSA-N 0 0 172.224 1.506 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)NC(C)(C)C)O1 87917225 343665642 /nfs/dbraw/zinc/66/56/42/343665642.db2.gz SZGYQEGPDHOKKM-HTQZYQBOSA-N 0 0 185.267 1.469 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)N2CCCC2)O1 87908350 343665654 /nfs/dbraw/zinc/66/56/54/343665654.db2.gz URTVYCNFGMRHIW-IUCAKERBSA-N 0 0 183.251 1.176 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC2)O1 87908349 343665659 /nfs/dbraw/zinc/66/56/59/343665659.db2.gz URTVYCNFGMRHIW-BDAKNGLRSA-N 0 0 183.251 1.176 10 0 ADAERN CCCNC(=O)[C@@H]1CC[C@@H](C)O1 87908589 343665665 /nfs/dbraw/zinc/66/56/65/343665665.db2.gz ZRVDWXQVMGRIIZ-SFYZADRCSA-N 0 0 171.240 1.080 10 0 ADAERN C[C@H]1CC[C@H](C(=O)NC(C)(C)C)O1 87917226 343665687 /nfs/dbraw/zinc/66/56/87/343665687.db2.gz SZGYQEGPDHOKKM-JGVFFNPUSA-N 0 0 185.267 1.469 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)NC2CCCC2)O1 87908465 343665696 /nfs/dbraw/zinc/66/56/96/343665696.db2.gz MVCISXXNVYXZII-WPRPVWTQSA-N 0 0 197.278 1.613 10 0 ADAERN C[C@H]1CC[C@H](C(=O)N2CCCCC2)O1 87908340 343665706 /nfs/dbraw/zinc/66/57/06/343665706.db2.gz YNOWGBZRVSVVLU-VHSXEESVSA-N 0 0 197.278 1.566 10 0 ADAERN CC(C)CNC(=O)[C@H]1CC[C@@H](C)O1 87908456 343665712 /nfs/dbraw/zinc/66/57/12/343665712.db2.gz NTCBZRMOYNDAHZ-RKDXNWHRSA-N 0 0 185.267 1.326 10 0 ADAERN CCCNC(=O)[C@H]1CC[C@@H](C)O1 87908590 343665716 /nfs/dbraw/zinc/66/57/16/343665716.db2.gz ZRVDWXQVMGRIIZ-HTQZYQBOSA-N 0 0 171.240 1.080 10 0 ADAERN CC(C)NC(=O)[C@@H]1CC[C@@H](C)O1 87908334 343665719 /nfs/dbraw/zinc/66/57/19/343665719.db2.gz RMTWXNNNJAYTAQ-SFYZADRCSA-N 0 0 171.240 1.079 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)N2CCCCC2)O1 87908339 343665723 /nfs/dbraw/zinc/66/57/23/343665723.db2.gz YNOWGBZRVSVVLU-NXEZZACHSA-N 0 0 197.278 1.566 10 0 ADAERN CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 88022374 343665996 /nfs/dbraw/zinc/66/59/96/343665996.db2.gz ORYRGBWRQHQBGB-WDEREUQCSA-N 0 0 197.278 1.160 10 0 ADAERN CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 88022373 343666179 /nfs/dbraw/zinc/66/61/79/343666179.db2.gz ORYRGBWRQHQBGB-MNOVXSKESA-N 0 0 197.278 1.160 10 0 ADAERN CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 88022372 343666183 /nfs/dbraw/zinc/66/61/83/343666183.db2.gz ORYRGBWRQHQBGB-GHMZBOCLSA-N 0 0 197.278 1.160 10 0 ADAERN CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 88022375 343666304 /nfs/dbraw/zinc/66/63/04/343666304.db2.gz ORYRGBWRQHQBGB-QWRGUYRKSA-N 0 0 197.278 1.160 10 0 ADAERN CCOCCCC(=O)OC(C)C 88046523 343666557 /nfs/dbraw/zinc/66/65/57/343666557.db2.gz DHZYEPVZXKHYDC-UHFFFAOYSA-N 0 0 174.240 1.755 10 0 ADAERN C[C@H]1CN(Cc2ccon2)CCC1=O 88054082 343667061 /nfs/dbraw/zinc/66/70/61/343667061.db2.gz RRFNUPXHHYFAIG-QMMMGPOBSA-N 0 0 194.234 1.086 10 0 ADAERN CCc1ccc(N)cc1C(=O)OC 88077696 343667106 /nfs/dbraw/zinc/66/71/06/343667106.db2.gz GREUJKUNTASZMM-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN C[C@@H]1CN(Cc2ccon2)CCC1=O 88054079 343667266 /nfs/dbraw/zinc/66/72/66/343667266.db2.gz RRFNUPXHHYFAIG-MRVPVSSYSA-N 0 0 194.234 1.086 10 0 ADAERN CC(C)NC(=O)c1cnccc1Cl 88109157 343667821 /nfs/dbraw/zinc/66/78/21/343667821.db2.gz ZMFKIRMODNGXAS-UHFFFAOYSA-N 0 0 198.653 1.873 10 0 ADAERN CCC[C@@H]1C[C@H]1CO 88158242 343668324 /nfs/dbraw/zinc/66/83/24/343668324.db2.gz HWSZRFHMKHWNEP-RQJHMYQMSA-N 0 0 114.188 1.415 10 0 ADAERN COc1ccc([C@@H]2C[C@H]2CO)cc1F 88159017 343668353 /nfs/dbraw/zinc/66/83/53/343668353.db2.gz HPEYMULQTRXRJB-IUCAKERBSA-N 0 0 196.221 1.930 10 0 ADAERN COc1ccc([C@@H]2C[C@@H]2CO)cc1F 88159015 343668378 /nfs/dbraw/zinc/66/83/78/343668378.db2.gz HPEYMULQTRXRJB-BDAKNGLRSA-N 0 0 196.221 1.930 10 0 ADAERN COc1ccc([C@H]2C[C@H]2CO)cc1F 88159018 343668454 /nfs/dbraw/zinc/66/84/54/343668454.db2.gz HPEYMULQTRXRJB-DTWKUNHWSA-N 0 0 196.221 1.930 10 0 ADAERN COc1ccc([C@H]2C[C@@H]2CO)cc1F 88159016 343668490 /nfs/dbraw/zinc/66/84/90/343668490.db2.gz HPEYMULQTRXRJB-RKDXNWHRSA-N 0 0 196.221 1.930 10 0 ADAERN C[C@@H]1C(=O)[C@H]2CCC[C@H]12 88183130 343668753 /nfs/dbraw/zinc/66/87/53/343668753.db2.gz NVHFIURKJYRESS-XVMARJQXSA-N 0 0 124.183 1.622 10 0 ADAERN C[C@@H]1C(=O)[C@H]2CCC[C@@H]12 88183127 343668888 /nfs/dbraw/zinc/66/88/88/343668888.db2.gz NVHFIURKJYRESS-ACZMJKKPSA-N 0 0 124.183 1.622 10 0 ADAERN COCC(C)(C)c1cc(N)on1 88190057 343669052 /nfs/dbraw/zinc/66/90/52/343669052.db2.gz DUFPZFMBYIOZAR-UHFFFAOYSA-N 0 0 170.212 1.181 10 0 ADAERN Oc1ccc2c(c1)[C@H](O)CC2 88244174 343669391 /nfs/dbraw/zinc/66/93/91/343669391.db2.gz GCBVTWNEWLJIDO-SECBINFHSA-N 0 0 150.177 1.372 10 0 ADAERN Oc1ccc2c(c1)[C@@H](O)CC2 88244175 343669576 /nfs/dbraw/zinc/66/95/76/343669576.db2.gz GCBVTWNEWLJIDO-VIFPVBQESA-N 0 0 150.177 1.372 10 0 ADAERN CC1C(=O)OC2(CCCCC2)OC1=O 88284650 343669800 /nfs/dbraw/zinc/66/98/00/343669800.db2.gz SAJPCENIDIEASK-UHFFFAOYSA-N 0 0 198.218 1.383 10 0 ADAERN Cc1ncc(C=O)cc1Cl 88315010 343670360 /nfs/dbraw/zinc/67/03/60/343670360.db2.gz UKSUNUMFAOLDMK-UHFFFAOYSA-N 0 0 155.584 1.856 10 0 ADAERN CC1(C(=O)NC2CC2)CCCC1 88318216 343670393 /nfs/dbraw/zinc/67/03/93/343670393.db2.gz AFRJGEIIIVFQKF-UHFFFAOYSA-N 0 0 167.252 1.845 10 0 ADAERN COCCc1ncc(C=O)cc1Cl 88314961 343670395 /nfs/dbraw/zinc/67/03/95/343670395.db2.gz ZTEKHJGDVHCBEM-UHFFFAOYSA-N 0 0 199.637 1.736 10 0 ADAERN CC(C)(O)c1ncc(C=O)cc1Cl 88315048 343670461 /nfs/dbraw/zinc/67/04/61/343670461.db2.gz RDNPGIZMDIZFDH-UHFFFAOYSA-N 0 0 199.637 1.775 10 0 ADAERN COCCCC(=O)OC(C)C 88304296 343670471 /nfs/dbraw/zinc/67/04/71/343670471.db2.gz CYKLQKMEPJHOTF-UHFFFAOYSA-N 0 0 160.213 1.365 10 0 ADAERN C[C@H](O)c1ncc(C=O)cc1Cl 88314936 343670500 /nfs/dbraw/zinc/67/05/00/343670500.db2.gz ZOWDALAXIOBTGG-YFKPBYRVSA-N 0 0 185.610 1.601 10 0 ADAERN Cc1cc(C=O)nnc1Cl 88315020 343670544 /nfs/dbraw/zinc/67/05/44/343670544.db2.gz HNPIUEQVXGZYFT-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN O=Cc1cnc(CO)c(Cl)c1 88315059 343670564 /nfs/dbraw/zinc/67/05/64/343670564.db2.gz IUJPCWGKHFMVQQ-UHFFFAOYSA-N 0 0 171.583 1.040 10 0 ADAERN C[C@@H](O)c1ncc(C=O)cc1Cl 88314938 343670588 /nfs/dbraw/zinc/67/05/88/343670588.db2.gz ZOWDALAXIOBTGG-RXMQYKEDSA-N 0 0 185.610 1.601 10 0 ADAERN Cc1cc(C(=O)OC(C)C)n[nH]1 88359139 343671086 /nfs/dbraw/zinc/67/10/86/343671086.db2.gz GEJAWUQBFNPPKB-UHFFFAOYSA-N 0 0 168.196 1.283 10 0 ADAERN Cc1cc(C(=O)OC(C)C)n(C)n1 88359141 343671246 /nfs/dbraw/zinc/67/12/46/343671246.db2.gz DTIRPMIDOPVXCW-UHFFFAOYSA-N 0 0 182.223 1.294 10 0 ADAERN CN1C(=O)OCc2cc(N)ccc21 88383704 343671840 /nfs/dbraw/zinc/67/18/40/343671840.db2.gz PGSYPWODHSGGBG-UHFFFAOYSA-N 0 0 178.191 1.355 10 0 ADAERN Cc1[nH]nc(C(F)F)c1N 88613747 343671880 /nfs/dbraw/zinc/67/18/80/343671880.db2.gz ZZANPIHOSDZFKY-UHFFFAOYSA-N 0 0 147.128 1.238 10 0 ADAERN O=C1NCC=CN1c1ccccc1 88384950 343671895 /nfs/dbraw/zinc/67/18/95/343671895.db2.gz JFLJYEIXHVHRRO-UHFFFAOYSA-N 0 0 174.203 1.730 10 0 ADAERN Cc1ccc(O)c2n[nH]cc12 89196559 343672139 /nfs/dbraw/zinc/67/21/39/343672139.db2.gz RDBSXLKYVMLUCO-UHFFFAOYSA-N 0 0 148.165 1.577 10 0 ADAERN Cc1ncc2c(N(C)C)nccn12 89195422 343672261 /nfs/dbraw/zinc/67/22/61/343672261.db2.gz VJVFQFFAEBEQNM-UHFFFAOYSA-N 0 0 176.223 1.104 10 0 ADAERN Cc1cccc2c(CO)[nH]nc12 89196110 343672280 /nfs/dbraw/zinc/67/22/80/343672280.db2.gz ILZDBQVYWXIAEA-UHFFFAOYSA-N 0 0 162.192 1.364 10 0 in-vitro ADAERN Cc1cnc(Cl)c2cnc(C)n12 89195443 343672291 /nfs/dbraw/zinc/67/22/91/343672291.db2.gz AFVYEYIOSPNAOV-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN Cc1cn2cncc2c(Cl)n1 89195420 343672313 /nfs/dbraw/zinc/67/23/13/343672313.db2.gz GGXSVPAKLNWNMR-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN CCc1ccc2[nH]nc(N)c2c1 89195903 343672322 /nfs/dbraw/zinc/67/23/22/343672322.db2.gz RYPQOSKIEDCABK-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN CCc1ccc2[nH]nc(CO)c2c1 89195875 343672394 /nfs/dbraw/zinc/67/23/94/343672394.db2.gz OERJZMXQQGMTHZ-UHFFFAOYSA-N 0 0 176.219 1.618 10 0 ADAERN Cc1cn2cnc(CO)c2c(Cl)n1 89195486 343672405 /nfs/dbraw/zinc/67/24/05/343672405.db2.gz SUTMUWKZWSJVGK-UHFFFAOYSA-N 0 0 197.625 1.183 10 0 ADAERN CCc1n[nH]c2cccc(N)c12 89195771 343672406 /nfs/dbraw/zinc/67/24/06/343672406.db2.gz AHZDGTSEJPPEPM-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN CCc1cc(OC)c2nccn2c1 89202589 343672639 /nfs/dbraw/zinc/67/26/39/343672639.db2.gz TWSLPFCWAJKJSG-UHFFFAOYSA-N 0 0 176.219 1.905 10 0 ADAERN CCC(=O)Nc1c[nH]cc2ncnc1-2 89203371 343672650 /nfs/dbraw/zinc/67/26/50/343672650.db2.gz OXLDRDUZKKPMKM-UHFFFAOYSA-N 0 0 190.206 1.306 10 0 ADAERN CCc1cn2ccnc2cc1OC 89202427 343672661 /nfs/dbraw/zinc/67/26/61/343672661.db2.gz QDBUQUIITIAZDS-UHFFFAOYSA-N 0 0 176.219 1.905 10 0 ADAERN CC(C)On1ncc2ccc(N)cc21 89197757 343672679 /nfs/dbraw/zinc/67/26/79/343672679.db2.gz RKUNXOIFTPZUQU-UHFFFAOYSA-N 0 0 191.234 1.456 10 0 ADAERN Cc1ccc2cnn(C)c2c1N 89200822 343672688 /nfs/dbraw/zinc/67/26/88/343672688.db2.gz DGIBVGXRHDYQJY-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN CC1=CC=CN2C(=O)CN=C12 89202266 343672693 /nfs/dbraw/zinc/67/26/93/343672693.db2.gz JPVUGBDYFGFPRR-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN Cc1cc(C)c2nccn2c1 89202574 343672719 /nfs/dbraw/zinc/67/27/19/343672719.db2.gz WPZVVJYMRJUKNZ-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN CCc1cc(C=O)cc2c[nH]nc12 89197271 343672788 /nfs/dbraw/zinc/67/27/88/343672788.db2.gz UYMUWQCTLCQKPW-UHFFFAOYSA-N 0 0 174.203 1.938 10 0 ADAERN Cc1cc(N)c2c(cnn2C)c1 89200588 343672793 /nfs/dbraw/zinc/67/27/93/343672793.db2.gz KIWIUCGAHQSEHT-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN Cc1cnc2cccc(CO)n12 89201777 343672801 /nfs/dbraw/zinc/67/28/01/343672801.db2.gz WCCUQFRSKOGNKU-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cc1cc2nccn2cc1C 89202424 343672804 /nfs/dbraw/zinc/67/28/04/343672804.db2.gz IXGJIOHPNOBZQT-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN Cc1cc(N)cc2c1cnn2C 89197430 343672809 /nfs/dbraw/zinc/67/28/09/343672809.db2.gz KUKARBLSBTZYKD-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN CCc1cccc2nccn12 89201314 343672815 /nfs/dbraw/zinc/67/28/15/343672815.db2.gz DSYZDRFZYMSIEF-UHFFFAOYSA-N 0 0 146.193 1.897 10 0 ADAERN CCn1ncc2cccc(N)c21 89200596 343672819 /nfs/dbraw/zinc/67/28/19/343672819.db2.gz ZQJJCAPXBMCCJN-UHFFFAOYSA-N 0 0 161.208 1.638 10 0 ADAERN CC(C)On1ncc2cccc(N)c21 89200795 343672825 /nfs/dbraw/zinc/67/28/25/343672825.db2.gz YVUOJEUALYTEBS-UHFFFAOYSA-N 0 0 191.234 1.456 10 0 ADAERN CCc1cn2cccc(O)c2n1 89201718 343672826 /nfs/dbraw/zinc/67/28/26/343672826.db2.gz VCAXGMLVROLCSQ-UHFFFAOYSA-N 0 0 162.192 1.602 10 0 ADAERN Cc1cc2nc[nH]c2c(C)n1 89203257 343672850 /nfs/dbraw/zinc/67/28/50/343672850.db2.gz FCYCDEVQRMMMGW-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN Cc1cn2c(CO)cccc2n1 89201617 343672864 /nfs/dbraw/zinc/67/28/64/343672864.db2.gz WRZQFLBUOODMKG-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cc1cnc2ccc(CO)cn12 89201885 343672891 /nfs/dbraw/zinc/67/28/91/343672891.db2.gz AGVLDCOOHSOHBF-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN CC[C@](C)(O)c1cnc2ccccn12 89200959 343672900 /nfs/dbraw/zinc/67/29/00/343672900.db2.gz WIOQHJXTMMBZKL-NSHDSACASA-N 0 0 190.246 1.952 10 0 ADAERN CC1=CN2C(=O)CN=C2C=C1 89201963 343672906 /nfs/dbraw/zinc/67/29/06/343672906.db2.gz LOCJCQSZJRCDSC-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN CCc1cn2ccccc2n1 89200919 343672910 /nfs/dbraw/zinc/67/29/10/343672910.db2.gz NKGQMTMAJFEXID-UHFFFAOYSA-N 0 0 146.193 1.897 10 0 ADAERN CC(C)Nc1n[nH]c2cc(N)ccc12 89200362 343672919 /nfs/dbraw/zinc/67/29/19/343672919.db2.gz YCNQREOAWXCUGB-UHFFFAOYSA-N 0 0 190.250 1.965 10 0 ADAERN Cc1cc(F)c2nccn2c1 89202582 343672921 /nfs/dbraw/zinc/67/29/21/343672921.db2.gz QNZZQYIIYBMHJP-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN CCC(=O)c1nccc2[nH]cnc12 89203022 343672923 /nfs/dbraw/zinc/67/29/23/343672923.db2.gz VEIGMIHBDAHTMM-UHFFFAOYSA-N 0 0 175.191 1.551 10 0 ADAERN Cc1ccc2nccn2c1C 89202320 343672927 /nfs/dbraw/zinc/67/29/27/343672927.db2.gz GKGCVBZAMXSKIF-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN CCC(=O)Cc1ccc2nccn2c1 89201403 343672949 /nfs/dbraw/zinc/67/29/49/343672949.db2.gz UHLDTCIXXFDETR-UHFFFAOYSA-N 0 0 188.230 1.856 10 0 ADAERN Cc1cc2nc[nH]c2c(Cl)n1 89203183 343672961 /nfs/dbraw/zinc/67/29/61/343672961.db2.gz RYVMVGXLKCQJKO-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN Cc1cn2cc(O)ccc2n1 89201641 343672963 /nfs/dbraw/zinc/67/29/63/343672963.db2.gz CJIUANMOMJPPPH-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN Cc1c(C=O)ccc2nccn12 89202327 343672979 /nfs/dbraw/zinc/67/29/79/343672979.db2.gz PNJOENRYPWAGPU-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CC1=CC2=NCC(=O)N2C=C1 89202126 343672992 /nfs/dbraw/zinc/67/29/92/343672992.db2.gz HJHFOWDIBYCGAN-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN Cc1ccc2[nH]ccc2c1CO 89204301 343673199 /nfs/dbraw/zinc/67/31/99/343673199.db2.gz COLMNRLCYUUTAN-UHFFFAOYSA-N 0 0 161.204 1.969 10 0 ADAERN CC(C)Oc1cc2c(cn1)CCN2 89212421 343673254 /nfs/dbraw/zinc/67/32/54/343673254.db2.gz QHCKUVWFBPIVKG-UHFFFAOYSA-N 0 0 178.235 1.837 10 0 ADAERN CCc1ccc(N)c2c1CNC2=O 89211313 343673266 /nfs/dbraw/zinc/67/32/66/343673266.db2.gz VIPYPLJOPSLNLO-UHFFFAOYSA-N 0 0 176.219 1.075 10 0 ADAERN Cc1[nH]nc2cc(Cl)[nH]c(=O)c12 89220079 343673293 /nfs/dbraw/zinc/67/32/93/343673293.db2.gz VHGGHOCJZPQZCV-UHFFFAOYSA-N 0 0 183.598 1.625 10 0 ADAERN Cc1cc2c(c(N)nn2C)c(Cl)n1 89220097 343673301 /nfs/dbraw/zinc/67/33/01/343673301.db2.gz YVEKFSNUAOXGSI-UHFFFAOYSA-N 0 0 196.641 1.512 10 0 ADAERN CCc1nccc2n[nH]cc12 89220013 343673317 /nfs/dbraw/zinc/67/33/17/343673317.db2.gz LEPWSGAAYMHDKJ-UHFFFAOYSA-N 0 0 147.181 1.520 10 0 ADAERN Cc1cc(Cl)[nH]c2c[nH]c(=O)c1-2 89212332 343673356 /nfs/dbraw/zinc/67/33/56/343673356.db2.gz KLAFWJJZODIYSY-UHFFFAOYSA-N 0 0 182.610 1.287 10 0 ADAERN Cc1ccc2[nH]ccc2c1OCCO 89204440 343673404 /nfs/dbraw/zinc/67/34/04/343673404.db2.gz KERYFYYRTHWAFL-UHFFFAOYSA-N 0 0 191.230 1.847 10 0 ADAERN Cc1[nH]ccc2nc(=S)oc1-2 89211735 343673407 /nfs/dbraw/zinc/67/34/07/343673407.db2.gz SQARKRGHAPZNQE-UHFFFAOYSA-N 0 0 166.205 1.820 10 0 ADAERN Cc1cc(=O)[nH]c2cnc(C)n12 89210786 343673415 /nfs/dbraw/zinc/67/34/15/343673415.db2.gz PBKCTXHKOXIXNB-UHFFFAOYSA-N 0 0 163.180 1.052 10 0 ADAERN Cc1nc2c(C(C)C)[nH]nc2c(=O)[nH]1 89211996 343673420 /nfs/dbraw/zinc/67/34/20/343673420.db2.gz INQIATCKZLLVQG-UHFFFAOYSA-N 0 0 192.222 1.078 10 0 ADAERN CCc1cc2c(c(C)n1)C(=O)NC2 89212198 343673433 /nfs/dbraw/zinc/67/34/33/343673433.db2.gz LRAJKZPDQJFWJV-UHFFFAOYSA-N 0 0 176.219 1.196 10 0 ADAERN Cc1cc2c(c(=S)[nH]1)C(=O)NC2 89212195 343673434 /nfs/dbraw/zinc/67/34/34/343673434.db2.gz ZDUOMNWPCIQTIV-UHFFFAOYSA-N 0 0 180.232 1.296 10 0 ADAERN Cc1nc(NC(C)C)nc2c[nH]nc12 89211853 343673440 /nfs/dbraw/zinc/67/34/40/343673440.db2.gz GUVHYLPQIMYOFO-UHFFFAOYSA-N 0 0 191.238 1.482 10 0 ADAERN Cc1cc(=O)[nH]c2cc[nH]c12 89221377 343673621 /nfs/dbraw/zinc/67/36/21/343673621.db2.gz AHGMBTOWSAHHDW-UHFFFAOYSA-N 0 0 148.165 1.165 10 0 ADAERN CCc1nc(CC)c2c(N)[nH]nc2n1 89222699 343673713 /nfs/dbraw/zinc/67/37/13/343673713.db2.gz VPVHNRLDKJDKPJ-UHFFFAOYSA-N 0 0 191.238 1.060 10 0 ADAERN Cc1nc2nc(N)ccc2s1 89229293 343673722 /nfs/dbraw/zinc/67/37/22/343673722.db2.gz MCRITLNYKQACLJ-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN Cc1n[nH]c2[nH]c(=S)[nH]c(=O)c12 89222425 343673761 /nfs/dbraw/zinc/67/37/61/343673761.db2.gz BXSOLAWCAFEXBA-UHFFFAOYSA-N 0 0 182.208 1.030 10 0 ADAERN Cc1cc2n[nH]c(C)c2c(C)n1 89220394 343673769 /nfs/dbraw/zinc/67/37/69/343673769.db2.gz UCBGTDYKSFSWPE-UHFFFAOYSA-N 0 0 161.208 1.883 10 0 ADAERN Cc1nc2[nH]c(=O)ccc2s1 89229295 343673785 /nfs/dbraw/zinc/67/37/85/343673785.db2.gz FVJYWHVIAYYHMJ-UHFFFAOYSA-N 0 0 166.205 1.293 10 0 ADAERN Cc1[nH]c(=O)cc2scnc12 89229121 343673788 /nfs/dbraw/zinc/67/37/88/343673788.db2.gz KMXFHLUWNGLTRG-UHFFFAOYSA-N 0 0 166.205 1.293 10 0 ADAERN CCc1[nH]nc2c(OC)nccc12 89223176 343673791 /nfs/dbraw/zinc/67/37/91/343673791.db2.gz VPZQEVGZQODOSP-UHFFFAOYSA-N 0 0 177.207 1.529 10 0 ADAERN Cc1nc(NC(C)C)c2c[nH]nc2n1 89222318 343673824 /nfs/dbraw/zinc/67/38/24/343673824.db2.gz GZRBQKUPKLJTKE-UHFFFAOYSA-N 0 0 191.238 1.482 10 0 ADAERN Cc1cnc2scnc2c1 89229900 343673836 /nfs/dbraw/zinc/67/38/36/343673836.db2.gz YVWAHALRNMIQBR-UHFFFAOYSA-N 0 0 150.206 2.000 10 0 ADAERN Cc1n[nH]c2[nH]c(=S)[nH]c(=S)c12 89222416 343673851 /nfs/dbraw/zinc/67/38/51/343673851.db2.gz GAKDHAHADSNAOD-UHFFFAOYSA-N 0 0 198.276 1.613 10 0 ADAERN Cc1[nH]c2nc(=O)sc-2c(C)c1N 89229664 343673923 /nfs/dbraw/zinc/67/39/23/343673923.db2.gz HLLIXZJFTTZMEQ-UHFFFAOYSA-N 0 0 195.247 1.184 10 0 ADAERN C[C@H]1N=Nc2nc(N)nc(Cl)c21 89223061 343673927 /nfs/dbraw/zinc/67/39/27/343673927.db2.gz VTRSYEBCVYXABP-UWTATZPHSA-N 0 0 183.602 1.871 10 0 ADAERN Cc1cc2sc(N)nc2nc1N 89229477 343673935 /nfs/dbraw/zinc/67/39/35/343673935.db2.gz CHHBHEDZVYPXIM-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN C[C@H](O)c1nc(Cl)nc2n[nH]cc12 89222516 343673952 /nfs/dbraw/zinc/67/39/52/343673952.db2.gz PFOARRXJJCZYIU-VKHMYHEASA-N 0 0 198.613 1.060 10 0 ADAERN CC(C)c1nc(N)c2c[nH]nc2n1 89222228 343673995 /nfs/dbraw/zinc/67/39/95/343673995.db2.gz OSJVJXAPANHYKG-UHFFFAOYSA-N 0 0 177.211 1.059 10 0 ADAERN Cc1nc2c(=O)[nH]ccc2s1 89229120 343673997 /nfs/dbraw/zinc/67/39/97/343673997.db2.gz NHKFEEVRTHJINI-UHFFFAOYSA-N 0 0 166.205 1.293 10 0 ADAERN Cc1nc(C)c2c(C)[nH]nc2n1 89222227 343674044 /nfs/dbraw/zinc/67/40/44/343674044.db2.gz BUBGUDMJEVUACD-UHFFFAOYSA-N 0 0 162.196 1.278 10 0 ADAERN Cc1nn(C)c2cc[nH]c(=S)c12 89220301 343674051 /nfs/dbraw/zinc/67/40/51/343674051.db2.gz ZSKIVWMVBQDDLJ-UHFFFAOYSA-N 0 0 179.248 1.939 10 0 ADAERN Cc1cc2[nH]ccc2c[n+]1[O-] 89220841 343674086 /nfs/dbraw/zinc/67/40/86/343674086.db2.gz PUOPMPDLVXVIKI-UHFFFAOYSA-N 0 0 148.165 1.110 10 0 ADAERN CC(=O)Oc1cc(C)ccc1C=O 90212311 343674620 /nfs/dbraw/zinc/67/46/20/343674620.db2.gz GQHJQJIQJMIMSO-UHFFFAOYSA-N 0 0 178.187 1.733 10 0 ADAERN CCn1nc(C)c(C)c1C(C)=O 90410984 343675042 /nfs/dbraw/zinc/67/50/42/343675042.db2.gz VSZARLHAMNQOPS-UHFFFAOYSA-N 0 0 166.224 1.722 10 0 ADAERN CCc1c[nH]c2nc(N)nc(Cl)c12 90415737 343675704 /nfs/dbraw/zinc/67/57/04/343675704.db2.gz KEBNQLYXYKIXPV-UHFFFAOYSA-N 0 0 196.641 1.756 10 0 ADAERN CCCCCC[C@@](C)(O)CO 90430262 343675711 /nfs/dbraw/zinc/67/57/11/343675711.db2.gz MJGRMZVPQKMBKC-SECBINFHSA-N 0 0 160.257 1.700 10 0 ADAERN C[C@H]1Cc2ccc(N)cc2C1=O 90411660 343675716 /nfs/dbraw/zinc/67/57/16/343675716.db2.gz HXBVZNNVHBXSDD-LURJTMIESA-N 0 0 161.204 1.644 10 0 ADAERN CC(C)c1n[nH]c2c1NCCC2 90411129 343675726 /nfs/dbraw/zinc/67/57/26/343675726.db2.gz TYUIZZDQPGAWBI-UHFFFAOYSA-N 0 0 165.240 1.891 10 0 ADAERN CCC(=O)[C@@H](C)[C@@H](O)C(C)C 90412410 343675737 /nfs/dbraw/zinc/67/57/37/343675737.db2.gz BIEQEQORPVLGMS-APPZFPTMSA-N 0 0 158.241 1.619 10 0 ADAERN CCC/C=C\C(=O)N1CCOC1=O 90416813 343675742 /nfs/dbraw/zinc/67/57/42/343675742.db2.gz JTJNYQJBLNODEB-PLNGDYQASA-N 0 0 183.207 1.322 10 0 ADAERN CN1CCO[C@@H](c2ccc(F)cc2)C1 90505124 343676059 /nfs/dbraw/zinc/67/60/59/343676059.db2.gz MLCKFDUWYLGQKE-LLVKDONJSA-N 0 0 195.237 1.829 10 0 ADAERN COC(=O)[C@H]1C[C@H]1c1ccc(O)cc1 90513295 343676213 /nfs/dbraw/zinc/67/62/13/343676213.db2.gz LVLOTHPBAVEMMA-UWVGGRQHSA-N 0 0 192.214 1.669 10 0 ADAERN CN1CCO[C@@H](c2cccc(F)c2)C1 90505126 343676287 /nfs/dbraw/zinc/67/62/87/343676287.db2.gz FMPASAAJMPOASQ-LLVKDONJSA-N 0 0 195.237 1.829 10 0 ADAERN COC(=O)/C=C/c1cc(N)cc(F)c1 90512666 343676369 /nfs/dbraw/zinc/67/63/69/343676369.db2.gz VUDCQMSMGLGRSN-NSCUHMNNSA-N 0 0 195.193 1.594 10 0 ADAERN COC(=O)[C@@H]1C[C@H]1c1ccc(O)cc1 90513294 343676377 /nfs/dbraw/zinc/67/63/77/343676377.db2.gz LVLOTHPBAVEMMA-VHSXEESVSA-N 0 0 192.214 1.669 10 0 ADAERN CN1CCn2c(cc3ccncc32)C1 90505108 343676381 /nfs/dbraw/zinc/67/63/81/343676381.db2.gz MORFQXPFEXJSNQ-UHFFFAOYSA-N 0 0 187.246 1.482 10 0 ADAERN COC(=O)[C@H]1C[C@@H]1c1ccc(O)cc1 90513293 343676383 /nfs/dbraw/zinc/67/63/83/343676383.db2.gz LVLOTHPBAVEMMA-ZJUUUORDSA-N 0 0 192.214 1.669 10 0 ADAERN CN1CCO[C@H](c2cccc(F)c2)C1 90505122 343676390 /nfs/dbraw/zinc/67/63/90/343676390.db2.gz FMPASAAJMPOASQ-NSHDSACASA-N 0 0 195.237 1.829 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]1c1ccc(O)cc1 90513292 343676402 /nfs/dbraw/zinc/67/64/02/343676402.db2.gz LVLOTHPBAVEMMA-NXEZZACHSA-N 0 0 192.214 1.669 10 0 ADAERN CN1CCO[C@H](c2ccc(F)cc2)C1 90505120 343676438 /nfs/dbraw/zinc/67/64/38/343676438.db2.gz MLCKFDUWYLGQKE-NSHDSACASA-N 0 0 195.237 1.829 10 0 ADAERN COCOc1cc(OC)ccc1N 90556385 343676489 /nfs/dbraw/zinc/67/64/89/343676489.db2.gz TYAZSOQWDGRLFP-UHFFFAOYSA-N 0 0 183.207 1.260 10 0 ADAERN Cc1cc(CCO)ccc1N 90729536 343676876 /nfs/dbraw/zinc/67/68/76/343676876.db2.gz TVXWDVHRJSISGT-UHFFFAOYSA-N 0 0 151.209 1.112 10 0 ADAERN OCCCC/C=C\CCCCO 90759889 343676885 /nfs/dbraw/zinc/67/68/85/343676885.db2.gz CEUQFOBZFQQQRF-UPHRSURJSA-N 0 0 172.268 1.868 10 0 ADAERN OCCCC/C=C/CCCCO 90759890 343676974 /nfs/dbraw/zinc/67/69/74/343676974.db2.gz CEUQFOBZFQQQRF-OWOJBTEDSA-N 0 0 172.268 1.868 10 0 ADAERN C1C2CC1C2 90751086 343677107 /nfs/dbraw/zinc/67/71/07/343677107.db2.gz MKCBRYIXFFGIKN-UHFFFAOYSA-N 0 0 68.119 1.416 10 0 ADAERN CCC1(CC)C[C@@H](CCO)OC1=O 90729628 343677112 /nfs/dbraw/zinc/67/71/12/343677112.db2.gz UCFDWEUAFWORJF-MRVPVSSYSA-N 0 0 186.251 1.491 10 0 ADAERN Cc1cncn1C(=O)c1ccccc1 91351685 343677494 /nfs/dbraw/zinc/67/74/94/343677494.db2.gz VVUCFXQNFMGWAG-UHFFFAOYSA-N 0 0 186.214 1.880 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C(N)=O)C2 91351515 343677530 /nfs/dbraw/zinc/67/75/30/343677530.db2.gz CMYIGTUDKVWKEU-XLDPMVHQSA-N 0 0 181.279 1.934 10 0 ADAERN Cc1nccc(C(O)=S)n1 91364341 343677535 /nfs/dbraw/zinc/67/75/35/343677535.db2.gz XLPSHMJHYMPIQD-UHFFFAOYSA-N 0 0 154.194 1.019 10 0 ADAERN CCc1[nH]c(=S)nc2nc[nH]c12 91368495 343677959 /nfs/dbraw/zinc/67/79/59/343677959.db2.gz KDGASSFFSBFGTP-UHFFFAOYSA-N 0 0 180.236 1.204 10 0 ADAERN CCn1cnc(Cl)c1 91366016 343678010 /nfs/dbraw/zinc/67/80/10/343678010.db2.gz RXIYDNOPMLTHTI-UHFFFAOYSA-N 0 0 130.578 1.556 10 0 ADAERN Cc1nccc(-c2cncc(F)c2)n1 91365876 343678086 /nfs/dbraw/zinc/67/80/86/343678086.db2.gz SURFWRFJURZGAN-UHFFFAOYSA-N 0 0 189.193 1.986 10 0 ADAERN CC[C@H](C)COc1cn[nH]c(=O)c1 91366199 343678191 /nfs/dbraw/zinc/67/81/91/343678191.db2.gz MORORIXRCZOOCX-ZETCQYMHSA-N 0 0 182.223 1.195 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncc(Cl)cn1 93537919 343678565 /nfs/dbraw/zinc/67/85/65/343678565.db2.gz OFPRYSQEUVZYCN-CAHLUQPWSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncc(Cl)cn1 93537910 343678650 /nfs/dbraw/zinc/67/86/50/343678650.db2.gz OFPRYSQEUVZYCN-FSPLSTOPSA-N 0 0 183.642 1.950 10 0 ADAERN CCSCCn1cc(C)nn1 94206617 343678711 /nfs/dbraw/zinc/67/87/11/343678711.db2.gz FQTLCVRAZJXZHL-UHFFFAOYSA-N 0 0 171.269 1.340 10 0 ADAERN CC1=NN(c2ccc(C=O)cc2)CO1 95080295 343679443 /nfs/dbraw/zinc/67/94/43/343679443.db2.gz TYMNOPSNDQPNHZ-UHFFFAOYSA-N 0 0 190.202 1.627 10 0 ADAERN CCc1cc(=O)cc(CC)o1 95080167 343679491 /nfs/dbraw/zinc/67/94/91/343679491.db2.gz YEPFWAOQDKOPRG-UHFFFAOYSA-N 0 0 152.193 1.765 10 0 ADAERN CC[C@H](C[NH3+])N(C(=O)[O-])C(C)(C)C 95079063 343679577 /nfs/dbraw/zinc/67/95/77/343679577.db2.gz XXWOWPMGZQOQEV-SSDOTTSWSA-N 0 0 188.271 1.502 10 0 ADAERN C[C@H](c1nccs1)N1CC(CO)C1 95088951 343679920 /nfs/dbraw/zinc/67/99/20/343679920.db2.gz SZDUWUYEJCSDAM-SSDOTTSWSA-N 0 0 198.291 1.128 10 0 ADAERN CCCCS(=O)(=O)OF 95080608 343680257 /nfs/dbraw/zinc/68/02/57/343680257.db2.gz BBBXVLCJTNBOIV-UHFFFAOYSA-N 0 0 156.178 1.017 10 0 ADAERN CCc1cc(NC2CC2)no1 95091059 343680548 /nfs/dbraw/zinc/68/05/48/343680548.db2.gz KWNWTAABTJZSDQ-UHFFFAOYSA-N 0 0 152.197 1.811 10 0 ADAERN CCc1cc(NC)no1 95091058 343680589 /nfs/dbraw/zinc/68/05/89/343680589.db2.gz GXXNVJDKSMGITP-UHFFFAOYSA-N 0 0 126.159 1.279 10 0 ADAERN Cc1ccsc1[C@H](O)CCO 95089755 343680660 /nfs/dbraw/zinc/68/06/60/343680660.db2.gz JMJAKLLQZFSSEG-SSDOTTSWSA-N 0 0 172.249 1.472 10 0 ADAERN Cc1ccsc1[C@@H](O)CCO 95089756 343680672 /nfs/dbraw/zinc/68/06/72/343680672.db2.gz JMJAKLLQZFSSEG-ZETCQYMHSA-N 0 0 172.249 1.472 10 0 ADAERN Cc1nc[nH]c1C1CC1 95089733 343680838 /nfs/dbraw/zinc/68/08/38/343680838.db2.gz SMBXFILRYIQMOZ-UHFFFAOYSA-N 0 0 122.171 1.596 10 0 ADAERN Cc1noc(C)c1-c1ccc(N)nc1 95495462 343683660 /nfs/dbraw/zinc/68/36/60/343683660.db2.gz FNFJTNAFWQGMES-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN CC1(c2ccc(C=O)s2)OCCO1 95496270 343683819 /nfs/dbraw/zinc/68/38/19/343683819.db2.gz QHXSOLBYQUNSJY-UHFFFAOYSA-N 0 0 198.243 1.780 10 0 ADAERN COC(=O)[C@@H]1CC(=O)C12CCCCC2 95628377 343684362 /nfs/dbraw/zinc/68/43/62/343684362.db2.gz CMTGCVQRDAVKFF-QMMMGPOBSA-N 0 0 196.246 1.699 10 0 ADAERN COC(=O)[C@H]1CC(=O)C12CCCCC2 95628378 343684413 /nfs/dbraw/zinc/68/44/13/343684413.db2.gz CMTGCVQRDAVKFF-MRVPVSSYSA-N 0 0 196.246 1.699 10 0 ADAERN C=Cc1cnc2n[nH]cc2c1 95628701 343684444 /nfs/dbraw/zinc/68/44/44/343684444.db2.gz NXBMVRZRELQUPD-UHFFFAOYSA-N 0 0 145.165 1.601 10 0 ADAERN Cc1ccc([C@@H](O)CF)cc1 95637047 343684935 /nfs/dbraw/zinc/68/49/35/343684935.db2.gz HHHXPHCEZLSAIY-VIFPVBQESA-N 0 0 154.184 1.998 10 0 ADAERN O[C@H](CF)c1cccc(F)c1 95636982 343684898 /nfs/dbraw/zinc/68/48/98/343684898.db2.gz VLFVJGXNABYRLB-MRVPVSSYSA-N 0 0 158.147 1.829 10 0 ADAERN O[C@@H](CF)c1cccc(F)c1 95637054 343684907 /nfs/dbraw/zinc/68/49/07/343684907.db2.gz VLFVJGXNABYRLB-QMMMGPOBSA-N 0 0 158.147 1.829 10 0 ADAERN OCC[C@@H](O)c1ccccc1F 95636959 343684923 /nfs/dbraw/zinc/68/49/23/343684923.db2.gz ABMQTSSUMOCJQL-SECBINFHSA-N 0 0 170.183 1.242 10 0 ADAERN COC(=O)N1CC[C@H]2C(=O)CCC[C@H]21 95629134 343685008 /nfs/dbraw/zinc/68/50/08/343685008.db2.gz NZYYBAHLELETLF-HTQZYQBOSA-N 0 0 197.234 1.196 10 0 ADAERN Cc1ccc([C@H](O)CF)cc1 95636975 343685019 /nfs/dbraw/zinc/68/50/19/343685019.db2.gz HHHXPHCEZLSAIY-SECBINFHSA-N 0 0 154.184 1.998 10 0 ADAERN Cc1cc([C@H]2COC(=O)N2)ccc1O 95689343 343685535 /nfs/dbraw/zinc/68/55/35/343685535.db2.gz RMQSSSIZUZQZBC-MRVPVSSYSA-N 0 0 193.202 1.482 10 0 ADAERN Cc1nc(C)c(C(N)=S)nc1C 95829544 343688208 /nfs/dbraw/zinc/68/82/08/343688208.db2.gz QWSVBLUKNRNKCK-UHFFFAOYSA-N 0 0 181.264 1.036 10 0 ADAERN C1=CC=CCC=C1 95857677 343688532 /nfs/dbraw/zinc/68/85/32/343688532.db2.gz ZEYWWQPRSGXNSM-UHFFFAOYSA-N 0 0 91.133 1.873 10 0 ADAERN COC(=O)c1c[nH]c2ccc(C)nc12 95845503 343688670 /nfs/dbraw/zinc/68/86/70/343688670.db2.gz FAVZZWRMDILSBY-UHFFFAOYSA-N 0 0 190.202 1.658 10 0 ADAERN Cc1ccc2c(c1)c(NO)cc[n+]2[O-] 95882215 343688676 /nfs/dbraw/zinc/68/86/76/343688676.db2.gz KZHGMVYHLWDWHG-UHFFFAOYSA-N 0 0 190.202 1.583 10 0 ADAERN Cc1cccc2c(NO)cc[n+]([O-])c12 95882213 343688745 /nfs/dbraw/zinc/68/87/45/343688745.db2.gz BGBYPLLTVQWJGE-UHFFFAOYSA-N 0 0 190.202 1.583 10 0 ADAERN COc1ccc2c(C(C)=O)c[nH]c2n1 95919876 343689564 /nfs/dbraw/zinc/68/95/64/343689564.db2.gz GKBIUWUFZYBZRI-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CC(=O)c1c[nH]c2cc(O)cnc12 95919892 343689570 /nfs/dbraw/zinc/68/95/70/343689570.db2.gz FVMJVGMBNJRXIV-UHFFFAOYSA-N 0 0 176.175 1.471 10 0 ADAERN CC(=O)c1c[nH]c2nc(F)ccc12 95919879 343689605 /nfs/dbraw/zinc/68/96/05/343689605.db2.gz YITVLQCQGHDGBO-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN COc1ccnc2[nH]cc(C(C)=O)c12 95919866 343689615 /nfs/dbraw/zinc/68/96/15/343689615.db2.gz QNIZRNPMEIPUHB-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CC(=O)c1c[nH]c2ncc(F)cc12 95919874 343689635 /nfs/dbraw/zinc/68/96/35/343689635.db2.gz CQZRZPRRAKTGQG-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN CC(=O)c1c[nH]c2cc(F)cnc12 95919890 343689653 /nfs/dbraw/zinc/68/96/53/343689653.db2.gz OYZNAFXIIAJMBU-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN CC(=O)c1c[nH]c2[nH]c(=O)ccc12 95919877 343689658 /nfs/dbraw/zinc/68/96/58/343689658.db2.gz FZRGCNSHQSNCFJ-UHFFFAOYSA-N 0 0 176.175 1.059 10 0 ADAERN CC(=O)c1c[nH]c2ncc(O)cc12 95919871 343689678 /nfs/dbraw/zinc/68/96/78/343689678.db2.gz HNGWDOFDNMWMNY-UHFFFAOYSA-N 0 0 176.175 1.471 10 0 ADAERN COc1cnc2[nH]cc(C(C)=O)c2c1 95919870 343689692 /nfs/dbraw/zinc/68/96/92/343689692.db2.gz JOTQMBNZTLTIPL-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN COc1ccc2[nH]cc(C(C)=O)c2n1 95919885 343689696 /nfs/dbraw/zinc/68/96/96/343689696.db2.gz VUXMZUZZCGBRGE-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 in-vitro ADAERN CC(=O)c1c[nH]c2ccc(F)nc12 95919884 343689710 /nfs/dbraw/zinc/68/97/10/343689710.db2.gz FCULPMMPQKYGAW-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN Oc1cc2cc[nH]c2nc1Cl 95919847 343689712 /nfs/dbraw/zinc/68/97/12/343689712.db2.gz MBIGQKXTKVDMPN-UHFFFAOYSA-N 0 0 168.583 1.922 10 0 ADAERN COc1ccnc2c(C(C)=O)c[nH]c12 95919903 343689718 /nfs/dbraw/zinc/68/97/18/343689718.db2.gz AGXXCCCRYAATSQ-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN Fc1cc2cc[nH]c2nc1F 95919791 343689726 /nfs/dbraw/zinc/68/97/26/343689726.db2.gz BKZFOLLWINQHFP-UHFFFAOYSA-N 0 0 154.119 1.841 10 0 ADAERN CC(=O)c1c[nH]c2c(=O)cc[nH]c12 95919904 343689728 /nfs/dbraw/zinc/68/97/28/343689728.db2.gz UMSXMZCHUCVUGL-UHFFFAOYSA-N 0 0 176.175 1.059 10 0 ADAERN CC(=O)c1c[nH]c2ccc(=O)[nH]c12 95919886 343689739 /nfs/dbraw/zinc/68/97/39/343689739.db2.gz UADZBPZKUKILBF-UHFFFAOYSA-N 0 0 176.175 1.059 10 0 in-vitro ADAERN COc1cc2cc[nH]c2nc1N 95919845 343689746 /nfs/dbraw/zinc/68/97/46/343689746.db2.gz AAOSSBWGJSOOGF-UHFFFAOYSA-N 0 0 163.180 1.154 10 0 ADAERN Cc1cc2c(C=O)c[nH]c2c(C)n1 95919858 343689756 /nfs/dbraw/zinc/68/97/56/343689756.db2.gz LNDNWMOUSWYLCT-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN CC(=O)c1c[nH]c2[nH]ccc(=O)c12 95919868 343689807 /nfs/dbraw/zinc/68/98/07/343689807.db2.gz QPWXQBCOHBJCAF-UHFFFAOYSA-N 0 0 176.175 1.059 10 0 ADAERN Cc1cc(C)c2[nH][nH]c(=O)c2c1 95919786 343689767 /nfs/dbraw/zinc/68/97/67/343689767.db2.gz AGNFJOBXASUJPK-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN COc1cnc2c(C(C)=O)c[nH]c2c1 95919891 343689769 /nfs/dbraw/zinc/68/97/69/343689769.db2.gz LBUUDWIXXKKXAK-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CC(=O)c1c[nH]c2nccc(F)c12 95919864 343689771 /nfs/dbraw/zinc/68/97/71/343689771.db2.gz VJNLVBMFPXIOOT-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN COC(=O)c1nc2[nH]ccc2cc1F 95919789 343689794 /nfs/dbraw/zinc/68/97/94/343689794.db2.gz NMJJOFUWJAIFRF-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN Cc1cc2c(N)c[nH]c2c(C)n1 95919861 343689817 /nfs/dbraw/zinc/68/98/17/343689817.db2.gz VTSWZRYXEGVFNW-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN Cc1ncc2[nH]c3ccccc3n12 95921963 343689982 /nfs/dbraw/zinc/68/99/82/343689982.db2.gz IQVUSMKKNQZERP-UHFFFAOYSA-N 0 0 171.203 1.816 10 0 ADAERN CC1N=C(N)SC1=S 95922417 343690005 /nfs/dbraw/zinc/69/00/05/343690005.db2.gz PLDGBUOHERPGID-UHFFFAOYSA-N 0 0 146.240 1.322 10 0 ADAERN Cc1[nH]c(=S)sc1N 95922416 343690027 /nfs/dbraw/zinc/69/00/27/343690027.db2.gz UNFVCQQWVJZHHQ-UHFFFAOYSA-N 0 0 146.240 1.696 10 0 ADAERN Cc1nc2ccccc2n1CNC=O 95922622 343690048 /nfs/dbraw/zinc/69/00/48/343690048.db2.gz CCUBWHIWPGHJCT-UHFFFAOYSA-N 0 0 189.218 1.048 10 0 ADAERN Cc1nc2cc3nonc3cc2n1C 95922600 343690062 /nfs/dbraw/zinc/69/00/62/343690062.db2.gz AEBUDQOOSXVBDL-UHFFFAOYSA-N 0 0 188.190 1.418 10 0 ADAERN O[C@@H]1CCCn2c1nc1ccccc12 95923130 343690085 /nfs/dbraw/zinc/69/00/85/343690085.db2.gz GFHWQUFAAVIVNQ-SNVBAGLBSA-N 0 0 188.230 1.864 10 0 ADAERN Cc1cc(C)[nH]c(=S)n1 95923786 343690147 /nfs/dbraw/zinc/69/01/47/343690147.db2.gz AQFCXCRQMRKOSF-UHFFFAOYSA-N 0 0 140.211 1.597 10 0 ADAERN Cc1cccc(=S)[nH]1 95923784 343690160 /nfs/dbraw/zinc/69/01/60/343690160.db2.gz AKEQLRAHXSRHSF-UHFFFAOYSA-N 0 0 125.196 1.735 10 0 ADAERN CC1=NC(=O)CC[C@H]1C 95923917 343690198 /nfs/dbraw/zinc/69/01/98/343690198.db2.gz CVWWOYFORJITKE-RXMQYKEDSA-N 0 0 125.171 1.404 10 0 ADAERN CC1(C)C=CN(C#N)C=C1 95923645 343690223 /nfs/dbraw/zinc/69/02/23/343690223.db2.gz QWIQGMVOIYCHGS-UHFFFAOYSA-N 0 0 134.182 1.309 10 0 ADAERN COc1cc2cc[nH]c2nc1OC 95920051 343690228 /nfs/dbraw/zinc/69/02/28/343690228.db2.gz BHISQMPGJQHROG-UHFFFAOYSA-N 0 0 178.191 1.580 10 0 in-vitro ADAERN Cc1cccc(=S)[nH]1 95923785 343690237 /nfs/dbraw/zinc/69/02/37/343690237.db2.gz BXYZFPUNZBJGEZ-UHFFFAOYSA-N 0 0 125.196 1.735 10 0 ADAERN Cc1cnc2c(ccc3c2ncn3C)n1 95922587 343690249 /nfs/dbraw/zinc/69/02/49/343690249.db2.gz RFRHXQWRESQIIJ-UHFFFAOYSA-N 0 0 198.229 1.825 10 0 ADAERN Cc1nc2cccc3c2n1CC(=O)N3 95922605 343690272 /nfs/dbraw/zinc/69/02/72/343690272.db2.gz QYQJFRPSUZDWEK-UHFFFAOYSA-N 0 0 187.202 1.297 10 0 ADAERN O[C@H]1CCCn2c1nc1ccccc12 95923129 343690278 /nfs/dbraw/zinc/69/02/78/343690278.db2.gz GFHWQUFAAVIVNQ-JTQLQIEISA-N 0 0 188.230 1.864 10 0 ADAERN Cc1cc2nccnc2c2ncn(C)c12 95922447 343690291 /nfs/dbraw/zinc/69/02/91/343690291.db2.gz AIVZGAFWTJXPMX-UHFFFAOYSA-N 0 0 198.229 1.825 10 0 ADAERN Cc1ncc2c(c1N)COC2 95924629 343690519 /nfs/dbraw/zinc/69/05/19/343690519.db2.gz OKNOBVWPUCQTMB-UHFFFAOYSA-N 0 0 150.181 1.002 10 0 ADAERN CN(C#N)c1cccc(N)c1 95924287 343690521 /nfs/dbraw/zinc/69/05/21/343690521.db2.gz ZVAYQOGJOFBGSS-UHFFFAOYSA-N 0 0 147.181 1.186 10 0 ADAERN Cc1[nH]c2c(O)ccc([O-])c2[nH+]1 95924592 343690536 /nfs/dbraw/zinc/69/05/36/343690536.db2.gz NROLWYXCNABYFL-UHFFFAOYSA-N 0 0 164.164 1.283 10 0 ADAERN Cc1cc2ccnc(N)c2cn1 95931167 343690596 /nfs/dbraw/zinc/69/05/96/343690596.db2.gz QYNYXLOAAIXNHD-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN Cc1nn2c([nH]c3ccccc32)c1N 95924628 343690626 /nfs/dbraw/zinc/69/06/26/343690626.db2.gz JCHGHKJWCVJDNX-UHFFFAOYSA-N 0 0 186.218 1.706 10 0 ADAERN CC1=NC(=O)CC[C@@H]1C 95923918 343690711 /nfs/dbraw/zinc/69/07/11/343690711.db2.gz CVWWOYFORJITKE-YFKPBYRVSA-N 0 0 125.171 1.404 10 0 ADAERN CN1Cc2ccc3[nH]cnc3c2C1 95924379 343690727 /nfs/dbraw/zinc/69/07/27/343690727.db2.gz DWWZDSYHAURKEW-UHFFFAOYSA-N 0 0 173.219 1.508 10 0 ADAERN Cc1nc2cc(F)c(NC=O)cc2[nH]1 95924603 343690815 /nfs/dbraw/zinc/69/08/15/343690815.db2.gz MRINYJWBZBUNGE-UHFFFAOYSA-N 0 0 193.181 1.579 10 0 ADAERN Cc1cc(N)c(C)c(N)c1N 95930793 343690855 /nfs/dbraw/zinc/69/08/55/343690855.db2.gz UOYCMUSFAOZGOK-UHFFFAOYSA-N 0 0 151.213 1.050 10 0 ADAERN CCc1nc2ccccc2n1NC=O 95924251 343690861 /nfs/dbraw/zinc/69/08/61/343690861.db2.gz KBCKSVFMDLNAPA-UHFFFAOYSA-N 0 0 189.218 1.299 10 0 ADAERN CCc1cc(O)ccc1OC(C)=O 95934182 343691021 /nfs/dbraw/zinc/69/10/21/343691021.db2.gz HBLKXMOUMUTFTE-UHFFFAOYSA-N 0 0 180.203 1.880 10 0 ADAERN CCCC[C@@H]1C[C@H]1C(=O)OC 95931692 343691022 /nfs/dbraw/zinc/69/10/22/343691022.db2.gz LMLAOWLMYPQPKR-HTQZYQBOSA-N 0 0 156.225 1.986 10 0 ADAERN CC[C@@H](O)O[C@H](CC)OC 95934209 343691087 /nfs/dbraw/zinc/69/10/87/343691087.db2.gz OTBAIPDRWPLCQD-NKWVEPMBSA-N 0 0 148.202 1.114 10 0 ADAERN CCc1nc2c(O)cccc2[nH]1 95932654 343691120 /nfs/dbraw/zinc/69/11/20/343691120.db2.gz OYKJWTVFOJZDOC-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN Cc1cccc2nc(=O)[nH]c(Cl)c12 95932730 343691140 /nfs/dbraw/zinc/69/11/40/343691140.db2.gz NCDOZVQCLYFDEQ-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN CCCC[C@@H]1C[C@@H]1C(=O)OC 95931691 343691230 /nfs/dbraw/zinc/69/12/30/343691230.db2.gz LMLAOWLMYPQPKR-SFYZADRCSA-N 0 0 156.225 1.986 10 0 ADAERN Cc1ccc(NC(N)=S)c(N)c1 95934545 343691266 /nfs/dbraw/zinc/69/12/66/343691266.db2.gz WPVCXFQOPYTZJX-UHFFFAOYSA-N 0 0 181.264 1.233 10 0 ADAERN Cc1nn2c(c1[C@@H](C)O)CCCCC2 95937990 343691527 /nfs/dbraw/zinc/69/15/27/343691527.db2.gz DFSLWSJAEDBHSC-SECBINFHSA-N 0 0 194.278 1.971 10 0 ADAERN CC1=NC2=CC=C[C@](O)(F)C2=C1 95935216 343691584 /nfs/dbraw/zinc/69/15/84/343691584.db2.gz LSSPHBHAJWUSLA-SECBINFHSA-N 0 0 165.167 1.499 10 0 ADAERN CCc1[nH]c2ncccc2c1N 95936830 343691642 /nfs/dbraw/zinc/69/16/42/343691642.db2.gz FRZUOAXKXWIBBS-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN CC1(C)CC(=O)c2ncc(N)nc2C1 95935079 343691648 /nfs/dbraw/zinc/69/16/48/343691648.db2.gz UBNOWQIRNQOPHQ-UHFFFAOYSA-N 0 0 191.234 1.214 10 0 ADAERN Cc1cc(-c2cccn2C)nc(N)n1 95935631 343691665 /nfs/dbraw/zinc/69/16/65/343691665.db2.gz ZXAFKHNOPBDDAY-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nc2cncc(N)c2nc1C 95934966 343691680 /nfs/dbraw/zinc/69/16/80/343691680.db2.gz JXGOOAPKCDAMRK-UHFFFAOYSA-N 0 0 174.207 1.224 10 0 ADAERN CCc1cc2cc(N)cnc2[nH]1 95936847 343691687 /nfs/dbraw/zinc/69/16/87/343691687.db2.gz ITVAXDVCIVTRLG-UHFFFAOYSA-N 0 0 161.208 1.708 10 0 ADAERN Cc1nn2c(c1[C@H](C)O)CCCCC2 95937991 343691714 /nfs/dbraw/zinc/69/17/14/343691714.db2.gz DFSLWSJAEDBHSC-VIFPVBQESA-N 0 0 194.278 1.971 10 0 ADAERN Cc1nnc(-c2cnc(Cl)cn2)o1 95934918 343691754 /nfs/dbraw/zinc/69/17/54/343691754.db2.gz OAJUICBUNHKUOF-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN CN(C)c1c[nH]c2ncc(N)cc12 95937186 343691770 /nfs/dbraw/zinc/69/17/70/343691770.db2.gz UXEHXSPBNOJGHG-UHFFFAOYSA-N 0 0 176.223 1.211 10 0 ADAERN CC1=NC2=CC=C[C@@](O)(F)C2=C1 95935215 343691780 /nfs/dbraw/zinc/69/17/80/343691780.db2.gz LSSPHBHAJWUSLA-VIFPVBQESA-N 0 0 165.167 1.499 10 0 ADAERN Cc1cncn1-c1ccc(O)cc1 95935477 343691786 /nfs/dbraw/zinc/69/17/86/343691786.db2.gz STZDOOANZJZCRW-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CCc1cn(N)c2ncc(F)cc12 95936827 343691822 /nfs/dbraw/zinc/69/18/22/343691822.db2.gz CZPVPCGKRNIGSM-UHFFFAOYSA-N 0 0 179.198 1.452 10 0 ADAERN Cc1cc2n(n1)CCCCC2 95938366 343692377 /nfs/dbraw/zinc/69/23/77/343692377.db2.gz UFLKLORARZXURE-UHFFFAOYSA-N 0 0 150.225 1.918 10 0 ADAERN C[C@H]1CC(=O)Nc2nc(N)sc21 96032680 343693300 /nfs/dbraw/zinc/69/33/00/343693300.db2.gz GHKWZIHDTVUGLG-VKHMYHEASA-N 0 0 183.236 1.171 10 0 ADAERN C/C=C\C(F)(F)C(=O)OCC 96268956 343695130 /nfs/dbraw/zinc/69/51/30/343695130.db2.gz CICASEUXYYNYQE-HYXAFXHYSA-N 0 0 164.151 1.761 10 0 ADAERN Cc1ccc(-c2ncon2)cc1C=O 96102613 343694903 /nfs/dbraw/zinc/69/49/03/343694903.db2.gz PFFMRRAQAFTYNM-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CN(C)C1SCCS1 96124702 343694963 /nfs/dbraw/zinc/69/49/63/343694963.db2.gz KHDIBJDASGAGSU-UHFFFAOYSA-N 0 0 149.284 1.312 10 0 ADAERN Cc1cc(C=O)ccc1-c1ncon1 96102621 343694981 /nfs/dbraw/zinc/69/49/81/343694981.db2.gz ZCZDLWFWYZOUMU-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN CC(C)Oc1cnc(Cl)nc1 96135244 343695065 /nfs/dbraw/zinc/69/50/65/343695065.db2.gz ZINCSSQSZVBPDS-UHFFFAOYSA-N 0 0 172.615 1.917 10 0 ADAERN Cc1ccc(-c2cnc[nH]c2=O)nc1 96301422 343695308 /nfs/dbraw/zinc/69/53/08/343695308.db2.gz XYCJFYLFDVFKMG-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1ncc(C(C)C)c(=O)[nH]1 96311256 343695317 /nfs/dbraw/zinc/69/53/17/343695317.db2.gz FEAFOTYWJJFEQS-UHFFFAOYSA-N 0 0 152.197 1.202 10 0 ADAERN Cc1cnc(-c2ccccn2)[nH]c1=O 96311375 343695352 /nfs/dbraw/zinc/69/53/52/343695352.db2.gz RXYGSJVRNMQPDH-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CCn1cnc2cnc(C)nc21 96311356 343695369 /nfs/dbraw/zinc/69/53/69/343695369.db2.gz IJBAQPPHKOVUIT-UHFFFAOYSA-N 0 0 162.196 1.155 10 0 ADAERN CCc1cnc(C(C)C)[nH]c1=O 96311381 343695408 /nfs/dbraw/zinc/69/54/08/343695408.db2.gz SECNHGBNCVRQIS-UHFFFAOYSA-N 0 0 166.224 1.456 10 0 ADAERN Cc1nc2cnc(Cl)nc2n1C 96311445 343695453 /nfs/dbraw/zinc/69/54/53/343695453.db2.gz NZWRRQSRVVLLFA-UHFFFAOYSA-N 0 0 182.614 1.325 10 0 ADAERN Cc1ccsc1-c1cnc[nH]c1=O 96301867 343695471 /nfs/dbraw/zinc/69/54/71/343695471.db2.gz OWGRGYJQGOEMAI-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ncc2ncn(C3CC3)c2n1 96311361 343695519 /nfs/dbraw/zinc/69/55/19/343695519.db2.gz TYLQMSHMMDHEHT-UHFFFAOYSA-N 0 0 174.207 1.470 10 0 ADAERN Cc1cccc(-c2cnc[nH]c2=O)c1 96301871 343695531 /nfs/dbraw/zinc/69/55/31/343695531.db2.gz ZLGBWKIIIQBAGQ-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN CCn1c(C)nc2cnc(Cl)nc21 96311447 343695540 /nfs/dbraw/zinc/69/55/40/343695540.db2.gz GZSHFEJAIWJYNY-UHFFFAOYSA-N 0 0 196.641 1.808 10 0 ADAERN Cc1nc(Cl)c2oc(C)nc2n1 96311231 343695619 /nfs/dbraw/zinc/69/56/19/343695619.db2.gz BVKGIKAAUBGIDY-UHFFFAOYSA-N 0 0 183.598 1.888 10 0 ADAERN CCc1cnc(C2CC2)[nH]c1=O 96311383 343695640 /nfs/dbraw/zinc/69/56/40/343695640.db2.gz CTGJVVJOLHMCST-UHFFFAOYSA-N 0 0 164.208 1.210 10 0 ADAERN CCc1cnc(=S)[nH]c1Cl 96311380 343695642 /nfs/dbraw/zinc/69/56/42/343695642.db2.gz NLSYAROFFHBGFC-UHFFFAOYSA-N 0 0 174.656 1.981 10 0 ADAERN Cc1cnc(C(C)(C)C)[nH]c1=O 96311371 343695645 /nfs/dbraw/zinc/69/56/45/343695645.db2.gz IKSHPNRTDHRILD-UHFFFAOYSA-N 0 0 166.224 1.376 10 0 ADAERN Cc1cnc(-c2cccnc2)[nH]c1=O 96311376 343695672 /nfs/dbraw/zinc/69/56/72/343695672.db2.gz OSTQAHKFNGKPHC-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CCc1cnc(C(C)(C)C)[nH]c1=O 96311385 343695698 /nfs/dbraw/zinc/69/56/98/343695698.db2.gz NMPJFQHKZUQHBQ-UHFFFAOYSA-N 0 0 180.251 1.630 10 0 ADAERN CC[C@H](C)/C=C(\C)CO 96320336 343695817 /nfs/dbraw/zinc/69/58/17/343695817.db2.gz WPJVSAFPWVVPTB-QAZRXNLGSA-N 0 0 128.215 1.971 10 0 ADAERN CC[C@@H](C)/C=C(\C)CO 96320335 343695824 /nfs/dbraw/zinc/69/58/24/343695824.db2.gz WPJVSAFPWVVPTB-KBUNYLKBSA-N 0 0 128.215 1.971 10 0 ADAERN COc1ccc2[nH]cc(F)c2n1 96320855 343695841 /nfs/dbraw/zinc/69/58/41/343695841.db2.gz AOIQEXBYFQRBNG-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN CC[C@H](C)c1cccc(=O)[nH]1 96311961 343695843 /nfs/dbraw/zinc/69/58/43/343695843.db2.gz JDYIJYCPVDIGHD-ZETCQYMHSA-N 0 0 151.209 1.888 10 0 ADAERN Oc1c[nH]cc2c(F)cnc1-2 96320881 343695845 /nfs/dbraw/zinc/69/58/45/343695845.db2.gz FUTXWTOVHSCKHM-UHFFFAOYSA-N 0 0 152.128 1.408 10 0 ADAERN Cc1cc2c(c(C)n1)NC(=O)C2 96320730 343695853 /nfs/dbraw/zinc/69/58/53/343695853.db2.gz GJXLUPBDNSBVRT-UHFFFAOYSA-N 0 0 162.192 1.193 10 0 ADAERN COc1ccc2c(F)c[nH]c2n1 96320843 343695860 /nfs/dbraw/zinc/69/58/60/343695860.db2.gz FBHBJLMHYVTIGS-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN CCCCc1cccc(=O)[nH]1 96311875 343695872 /nfs/dbraw/zinc/69/58/72/343695872.db2.gz KPOKLVPNESGKHT-UHFFFAOYSA-N 0 0 151.209 1.718 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@H](C)O2 96319933 343695889 /nfs/dbraw/zinc/69/58/89/343695889.db2.gz DQPPICLXWCIFKG-ZETCQYMHSA-N 0 0 162.188 1.959 10 0 ADAERN COC(=O)c1cnc2c(F)c[nH]c2c1 96320845 343695899 /nfs/dbraw/zinc/69/58/99/343695899.db2.gz DXTPJTHVBFDXDZ-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN COc1ccnc2[nH]cc(F)c12 96320827 343695907 /nfs/dbraw/zinc/69/59/07/343695907.db2.gz FNJZSUSXLULMDX-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN COc1c[nH]cc2c(F)cnc1-2 96320880 343695921 /nfs/dbraw/zinc/69/59/21/343695921.db2.gz SCCNLCIUIIOCBX-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN Nc1cc(O)c2ncsc2c1 96320680 343695936 /nfs/dbraw/zinc/69/59/36/343695936.db2.gz XHOAWCUAVLPGOR-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN COc1cc(C)cc2sc(=O)[nH]c12 96320663 343695940 /nfs/dbraw/zinc/69/59/40/343695940.db2.gz JMANJGSZOHCDQT-UHFFFAOYSA-N 0 0 195.243 1.907 10 0 ADAERN COc1cc(N)cc2scnc12 96320676 343695945 /nfs/dbraw/zinc/69/59/45/343695945.db2.gz PQWNDYZBHVRLTM-UHFFFAOYSA-N 0 0 180.232 1.887 10 0 ADAERN COc1cc2[nH]cc(F)c2cn1 96320875 343695948 /nfs/dbraw/zinc/69/59/48/343695948.db2.gz LTFRMTDCJAKAOT-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN COc1cnc2c(F)c[nH]c2c1 96320851 343695974 /nfs/dbraw/zinc/69/59/74/343695974.db2.gz QWLXMEPDEYPIQF-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN C/C(=C\C(C)C)CO 96320333 343695996 /nfs/dbraw/zinc/69/59/96/343695996.db2.gz FRNHNENZDWMNBU-QPJJXVBHSA-N 0 0 114.188 1.581 10 0 ADAERN COc1cnc2[nH]cc(F)c2c1 96320826 343696002 /nfs/dbraw/zinc/69/60/02/343696002.db2.gz HVAHFQXXFIFIOJ-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN NN=c1[nH]c2c(O)cccc2s1 96320681 343696007 /nfs/dbraw/zinc/69/60/07/343696007.db2.gz CUYKHKKHELGXOH-UHFFFAOYSA-N 0 0 181.220 1.288 10 0 ADAERN COC(=O)c1cnc2[nH]cc(F)c2c1 96320834 343696021 /nfs/dbraw/zinc/69/60/21/343696021.db2.gz AYGNUZZQZNIAHB-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN COc1nccc2[nH]cc(F)c12 96320866 343696037 /nfs/dbraw/zinc/69/60/37/343696037.db2.gz WLCOMHJDITWEPG-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 in-vitro ADAERN Cc1ccc(-c2cccc(=O)[nH]2)nc1 96311861 343696038 /nfs/dbraw/zinc/69/60/38/343696038.db2.gz XRUCKIUMCXBTDQ-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN COC(=O)c1ccnc2[nH]cc(F)c12 96320829 343696040 /nfs/dbraw/zinc/69/60/40/343696040.db2.gz AAJBWYYLGYWUDP-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN CC(=O)c1cnc2[nH]ccc(N)c1-2 96320739 343696047 /nfs/dbraw/zinc/69/60/47/343696047.db2.gz NVWUCURTDZWQBC-UHFFFAOYSA-N 0 0 175.191 1.348 10 0 ADAERN Fc1cnc2c(F)c[nH]c2c1 96320844 343696057 /nfs/dbraw/zinc/69/60/57/343696057.db2.gz ZOAQOKDRLUVWJG-UHFFFAOYSA-N 0 0 154.119 1.841 10 0 ADAERN COc1cncc2[nH]cc(F)c12 96320899 343696489 /nfs/dbraw/zinc/69/64/89/343696489.db2.gz IIAQSGCIIZFIJW-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN COc1cc(N)cc2sc(=O)[nH]c12 96321315 343696273 /nfs/dbraw/zinc/69/62/73/343696273.db2.gz VFKHONZFSBSVLA-UHFFFAOYSA-N 0 0 196.231 1.180 10 0 ADAERN CC(C)(C)c1cc2c(cn1)CC(=O)N2 96321293 343696284 /nfs/dbraw/zinc/69/62/84/343696284.db2.gz KWPUMLABDXWQGM-UHFFFAOYSA-N 0 0 190.246 1.874 10 0 ADAERN O=c1[nH]nc2[nH]cc(Cl)cc1-2 96321028 343696287 /nfs/dbraw/zinc/69/62/87/343696287.db2.gz SNJCHTKFGPYKOH-UHFFFAOYSA-N 0 0 169.571 1.317 10 0 ADAERN CCOC(=O)Cc1ncc(C)cc1N 96321227 343696291 /nfs/dbraw/zinc/69/62/91/343696291.db2.gz NAEFXQDRZPALBU-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 in-vitro ADAERN COc1cnc2[nH]ccc2c1F 96321300 343696307 /nfs/dbraw/zinc/69/63/07/343696307.db2.gz HIODJZBVHNCROX-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN Cc1cc2c(Cl)cc(=O)[nH]c2[nH]1 96321091 343696352 /nfs/dbraw/zinc/69/63/52/343696352.db2.gz IOBOUSWRRHGMKD-UHFFFAOYSA-N 0 0 182.610 1.818 10 0 ADAERN COC(=O)c1cc2[nH]ccc2cc1O 96321149 343696366 /nfs/dbraw/zinc/69/63/66/343696366.db2.gz QQCGSJQDXBTDDO-UHFFFAOYSA-N 0 0 191.186 1.660 10 0 ADAERN Cc1ccc2c(C)[nH]nc2n1 96321032 343696374 /nfs/dbraw/zinc/69/63/74/343696374.db2.gz ZJHSMSLMRUWWRW-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN Cc1cc2c(F)c(C=O)cnc2[nH]1 96321061 343696386 /nfs/dbraw/zinc/69/63/86/343696386.db2.gz SILATQILRRRYNZ-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN COc1nccc2c(F)c[nH]c12 96320888 343696394 /nfs/dbraw/zinc/69/63/94/343696394.db2.gz HSYKDJXJVOIZOF-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN CCc1cc2c(cn1)CC(=O)N2 96321292 343696419 /nfs/dbraw/zinc/69/64/19/343696419.db2.gz XGTJAWDYRQLHJK-UHFFFAOYSA-N 0 0 162.192 1.139 10 0 ADAERN Nc1cc(F)c2n[nH]c(Cl)c2c1 96320983 343696424 /nfs/dbraw/zinc/69/64/24/343696424.db2.gz IIKCVBZSOJZXPL-UHFFFAOYSA-N 0 0 185.589 1.938 10 0 ADAERN OCCc1cn2c(F)cccc2n1 96321272 343696428 /nfs/dbraw/zinc/69/64/28/343696428.db2.gz SYNABXVKURIPRD-UHFFFAOYSA-N 0 0 180.182 1.008 10 0 ADAERN Cc1cc2cc(Cl)c(=O)[nH]c2[nH]1 96321103 343696445 /nfs/dbraw/zinc/69/64/45/343696445.db2.gz ZSRKOUDZJYSYHZ-UHFFFAOYSA-N 0 0 182.610 1.818 10 0 ADAERN Cc1cc2ccc(=O)[nH]c2[nH]1 96321078 343696451 /nfs/dbraw/zinc/69/64/51/343696451.db2.gz UDPSBIYXWSRUAB-UHFFFAOYSA-N 0 0 148.165 1.165 10 0 ADAERN Oc1cncc2[nH]cc(F)c12 96320902 343696453 /nfs/dbraw/zinc/69/64/53/343696453.db2.gz WXKBHMCZDISAEY-UHFFFAOYSA-N 0 0 152.128 1.408 10 0 ADAERN OCCc1cn2c(Cl)cccc2n1 96321252 343696455 /nfs/dbraw/zinc/69/64/55/343696455.db2.gz DIHCWHYXWJKCKH-UHFFFAOYSA-N 0 0 196.637 1.523 10 0 ADAERN Cc1c(C(=O)[O-])[nH+]c2ccc(F)cn12 96320926 343696460 /nfs/dbraw/zinc/69/64/60/343696460.db2.gz GFUSQPLUQJDKKT-UHFFFAOYSA-N 0 0 194.165 1.480 10 0 ADAERN Nc1c[nH]c2ccc(Cl)nc12 96321389 343696480 /nfs/dbraw/zinc/69/64/80/343696480.db2.gz QELGLDVZNJRIIP-UHFFFAOYSA-N 0 0 167.599 1.799 10 0 ADAERN Cc1cc2c(N)c(F)cnc2[nH]1 96321065 343696484 /nfs/dbraw/zinc/69/64/84/343696484.db2.gz OXVLINQTHCTOFV-UHFFFAOYSA-N 0 0 165.171 1.593 10 0 ADAERN COc1cc2c(F)c[nH]c2cn1 96320893 343696485 /nfs/dbraw/zinc/69/64/85/343696485.db2.gz XIZJDSDGFDNONL-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN COC(=O)c1cc(N)c2[nH]ccc2c1 96321416 343696803 /nfs/dbraw/zinc/69/68/03/343696803.db2.gz KFCVYWFWRFHJTP-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 in-vitro ADAERN O=C1NCCc2ccc(Cl)c(F)c21 96321431 343696888 /nfs/dbraw/zinc/69/68/88/343696888.db2.gz YZIWUJSUHOBGGD-UHFFFAOYSA-N 0 0 199.612 1.765 10 0 ADAERN C=C/C=C\Cl 96331830 343696894 /nfs/dbraw/zinc/69/68/94/343696894.db2.gz PCPYTNCQOSFKGG-ARJAWSKDSA-N 0 0 88.537 1.925 10 0 ADAERN CCC(=O)NCC(CC)CC 96698484 343700363 /nfs/dbraw/zinc/70/03/63/343700363.db2.gz HDCGTFVCPRKSIP-UHFFFAOYSA-N 0 0 157.257 1.949 10 0 ADAERN Cc1cccc(N2CCCNC2=O)c1 96868718 343701143 /nfs/dbraw/zinc/70/11/43/343701143.db2.gz JNPLOWKIGQKQRP-UHFFFAOYSA-N 0 0 190.246 1.915 10 0 ADAERN COC(=O)COc1ccc(F)cc1C 96868779 343701247 /nfs/dbraw/zinc/70/12/47/343701247.db2.gz YQVBYZVNRUTARY-UHFFFAOYSA-N 0 0 198.193 1.686 10 0 ADAERN CCNc1ccnc(OC)c1 96868483 343701575 /nfs/dbraw/zinc/70/15/75/343701575.db2.gz JZZSXVMMDOUJLN-UHFFFAOYSA-N 0 0 152.197 1.522 10 0 ADAERN C[C@H]1CC[C@H](C)N(C(=O)NC2CC2)C1 97010183 343701917 /nfs/dbraw/zinc/70/19/17/343701917.db2.gz LVFKKXNUOPUJSN-IUCAKERBSA-N 0 0 196.294 1.979 10 0 ADAERN CC[C@H](NN)c1ccsc1 97486436 343702138 /nfs/dbraw/zinc/70/21/38/343702138.db2.gz QAJIOTMAQHPBND-ZETCQYMHSA-N 0 0 156.254 1.663 10 0 ADAERN CC[C@@H](NN)c1ccsc1 97486437 343702178 /nfs/dbraw/zinc/70/21/78/343702178.db2.gz QAJIOTMAQHPBND-SSDOTTSWSA-N 0 0 156.254 1.663 10 0 ADAERN CC[C@@H](NN)[C@@H]1COc2ccccc21 97627384 343702419 /nfs/dbraw/zinc/70/24/19/343702419.db2.gz VAQHPFIANUXCAY-NXEZZACHSA-N 0 0 192.262 1.405 10 0 ADAERN CC[C@H](NN)[C@]1(C)CCCCO1 97612958 343702474 /nfs/dbraw/zinc/70/24/74/343702474.db2.gz JFFPXINJXWBULK-IUCAKERBSA-N 0 0 172.272 1.188 10 0 ADAERN NN[C@H](C1CC1)[C@@H]1Cc2ccccc21 97537988 343702457 /nfs/dbraw/zinc/70/24/57/343702457.db2.gz DJQCMNMUNAFYCB-VXGBXAGGSA-N 0 0 188.274 1.568 10 0 ADAERN NN[C@H](c1ccccc1N)C1CC1 97537077 343702496 /nfs/dbraw/zinc/70/24/96/343702496.db2.gz ZAONNDQCACSMEE-JTQLQIEISA-N 0 0 177.251 1.183 10 0 ADAERN CC[C@@H](NN)c1cc(F)ccc1N 97629043 343702537 /nfs/dbraw/zinc/70/25/37/343702537.db2.gz KIUZTVRJOZQUFI-SECBINFHSA-N 0 0 183.230 1.322 10 0 ADAERN CC[C@@H](NN)[C@@]1(C)CCCCO1 97612961 343702540 /nfs/dbraw/zinc/70/25/40/343702540.db2.gz JFFPXINJXWBULK-RKDXNWHRSA-N 0 0 172.272 1.188 10 0 ADAERN NN[C@@H](c1ccccc1N)C1CC1 97537076 343702542 /nfs/dbraw/zinc/70/25/42/343702542.db2.gz ZAONNDQCACSMEE-SNVBAGLBSA-N 0 0 177.251 1.183 10 0 ADAERN CC[C@H](NN)c1cc(F)ccc1N 97629042 343702546 /nfs/dbraw/zinc/70/25/46/343702546.db2.gz KIUZTVRJOZQUFI-VIFPVBQESA-N 0 0 183.230 1.322 10 0 ADAERN CC[C@H](NN)c1cccc(C)n1 97533086 343702550 /nfs/dbraw/zinc/70/25/50/343702550.db2.gz FMVSTFUOJJXALM-QMMMGPOBSA-N 0 0 165.240 1.304 10 0 ADAERN CC[C@H](NN)c1ccccc1N 97537244 343702554 /nfs/dbraw/zinc/70/25/54/343702554.db2.gz UAIFSSVTIWEUJI-VIFPVBQESA-N 0 0 165.240 1.183 10 0 ADAERN CC[C@@H](NN)c1ccccc1N 97537245 343702563 /nfs/dbraw/zinc/70/25/63/343702563.db2.gz UAIFSSVTIWEUJI-SECBINFHSA-N 0 0 165.240 1.183 10 0 ADAERN CC[C@H](NN)c1ncccc1F 97615902 343702565 /nfs/dbraw/zinc/70/25/65/343702565.db2.gz URAVPDPZGJFVOV-ZETCQYMHSA-N 0 0 169.203 1.135 10 0 ADAERN NN[C@H](C1CC1)[C@H]1Cc2ccccc21 97537987 343702571 /nfs/dbraw/zinc/70/25/71/343702571.db2.gz DJQCMNMUNAFYCB-NWDGAFQWSA-N 0 0 188.274 1.568 10 0 ADAERN CC[C@H](NN)c1ncccc1C 97511425 343702593 /nfs/dbraw/zinc/70/25/93/343702593.db2.gz PZHLQZMJBBNITC-QMMMGPOBSA-N 0 0 165.240 1.304 10 0 ADAERN CC[C@@H](NN)c1ncccc1F 97615903 343702605 /nfs/dbraw/zinc/70/26/05/343702605.db2.gz URAVPDPZGJFVOV-SSDOTTSWSA-N 0 0 169.203 1.135 10 0 ADAERN NN[C@@H](C1CC1)[C@H]1Cc2ccccc21 97537989 343702633 /nfs/dbraw/zinc/70/26/33/343702633.db2.gz DJQCMNMUNAFYCB-RYUDHWBXSA-N 0 0 188.274 1.568 10 0 ADAERN NN[C@@H](C1CC1)[C@@H]1Cc2ccccc21 97537990 343702647 /nfs/dbraw/zinc/70/26/47/343702647.db2.gz DJQCMNMUNAFYCB-NEPJUHHUSA-N 0 0 188.274 1.568 10 0 ADAERN CC[C@@H](NN)[C@]1(C)CCCCO1 97612959 343702653 /nfs/dbraw/zinc/70/26/53/343702653.db2.gz JFFPXINJXWBULK-BDAKNGLRSA-N 0 0 172.272 1.188 10 0 ADAERN CC[C@@H](NN)c1ncccc1C 97511426 343702677 /nfs/dbraw/zinc/70/26/77/343702677.db2.gz PZHLQZMJBBNITC-MRVPVSSYSA-N 0 0 165.240 1.304 10 0 ADAERN CC[C@H](NN)[C@@]1(C)CCCCO1 97612960 343702701 /nfs/dbraw/zinc/70/27/01/343702701.db2.gz JFFPXINJXWBULK-DTWKUNHWSA-N 0 0 172.272 1.188 10 0 ADAERN CC[C@@H](NN)[C@H]1COc2ccccc21 97627388 343702712 /nfs/dbraw/zinc/70/27/12/343702712.db2.gz VAQHPFIANUXCAY-VHSXEESVSA-N 0 0 192.262 1.405 10 0 ADAERN CC[C@H](NN)[C@@H]1COc2ccccc21 97627382 343702715 /nfs/dbraw/zinc/70/27/15/343702715.db2.gz VAQHPFIANUXCAY-ZJUUUORDSA-N 0 0 192.262 1.405 10 0 ADAERN NN[C@H](c1ccccc1)C(F)F 97641061 343702879 /nfs/dbraw/zinc/70/28/79/343702879.db2.gz ZRJVUKKPVAZAKJ-SSDOTTSWSA-N 0 0 172.178 1.456 10 0 ADAERN CC[C@@H](NN)c1occc1C 97645935 343702895 /nfs/dbraw/zinc/70/28/95/343702895.db2.gz PLVZRLXRTPJARA-SSDOTTSWSA-N 0 0 154.213 1.502 10 0 ADAERN NN[C@@H](C1CC1)C(F)(F)Cl 97641088 343702930 /nfs/dbraw/zinc/70/29/30/343702930.db2.gz MEOQWTXQKWSBSR-BYPYZUCNSA-N 0 0 170.590 1.060 10 0 ADAERN CC[C@H](NN)c1occc1C 97645934 343702939 /nfs/dbraw/zinc/70/29/39/343702939.db2.gz PLVZRLXRTPJARA-ZETCQYMHSA-N 0 0 154.213 1.502 10 0 ADAERN Cc1cc([C@H](NN)C2CC2)c(C)nn1 97747969 343702951 /nfs/dbraw/zinc/70/29/51/343702951.db2.gz XWLIDOFYFMNESY-SNVBAGLBSA-N 0 0 192.266 1.008 10 0 ADAERN NN[C@H](C1CC1)C(F)(F)Cl 97641089 343702964 /nfs/dbraw/zinc/70/29/64/343702964.db2.gz MEOQWTXQKWSBSR-SCSAIBSYSA-N 0 0 170.590 1.060 10 0 ADAERN NN[C@@H](c1ccccc1)C(F)F 97641060 343702989 /nfs/dbraw/zinc/70/29/89/343702989.db2.gz ZRJVUKKPVAZAKJ-ZETCQYMHSA-N 0 0 172.178 1.456 10 0 ADAERN CC[C@H](NN)[C@@]1(C)CCCS1 97684506 343702990 /nfs/dbraw/zinc/70/29/90/343702990.db2.gz DFNGQMWICSIFLY-JGVFFNPUSA-N 0 0 174.313 1.514 10 0 ADAERN CC1(C)C([C@H](NN)C2CC2)C1(C)C 97747972 343703010 /nfs/dbraw/zinc/70/30/10/343703010.db2.gz RNGRYAJXMHBHML-MRVPVSSYSA-N 0 0 182.311 1.911 10 0 ADAERN Cc1cc([C@@H](NN)C2CC2)c(C)nn1 97747970 343703021 /nfs/dbraw/zinc/70/30/21/343703021.db2.gz XWLIDOFYFMNESY-JTQLQIEISA-N 0 0 192.266 1.008 10 0 ADAERN Cc1cc([C@@H](NN)C2CC2)c(C)o1 97747874 343703049 /nfs/dbraw/zinc/70/30/49/343703049.db2.gz ITXHFRNYPGEEOB-JTQLQIEISA-N 0 0 180.251 1.811 10 0 ADAERN CC[C@H](NN)C1C(C)(C)C1(C)C 97684502 343703058 /nfs/dbraw/zinc/70/30/58/343703058.db2.gz IWTMQWGLWBIJAN-ZETCQYMHSA-N 0 0 170.300 1.911 10 0 ADAERN CC1(C)C([C@@H](NN)C2CC2)C1(C)C 97747973 343703064 /nfs/dbraw/zinc/70/30/64/343703064.db2.gz RNGRYAJXMHBHML-QMMMGPOBSA-N 0 0 182.311 1.911 10 0 ADAERN CC[C@@H](NN)C1C(C)(C)C1(C)C 97684503 343703073 /nfs/dbraw/zinc/70/30/73/343703073.db2.gz IWTMQWGLWBIJAN-SSDOTTSWSA-N 0 0 170.300 1.911 10 0 ADAERN Cc1cc([C@H](NN)C2CC2)c(C)o1 97747873 343703076 /nfs/dbraw/zinc/70/30/76/343703076.db2.gz ITXHFRNYPGEEOB-SNVBAGLBSA-N 0 0 180.251 1.811 10 0 ADAERN Cc1nsc(N[C@H](C)CCO)n1 97635671 343703078 /nfs/dbraw/zinc/70/30/78/343703078.db2.gz YNZHUNNSIZSYKI-RXMQYKEDSA-N 0 0 187.268 1.029 10 0 ADAERN Cc1nsc(N[C@@H](C)CCO)n1 97635670 343703103 /nfs/dbraw/zinc/70/31/03/343703103.db2.gz YNZHUNNSIZSYKI-YFKPBYRVSA-N 0 0 187.268 1.029 10 0 ADAERN CC[C@@H](NN)c1coc(C)c1 97684437 343703133 /nfs/dbraw/zinc/70/31/33/343703133.db2.gz JUOAOQRNJOARBN-MRVPVSSYSA-N 0 0 154.213 1.502 10 0 ADAERN CC[C@H](NN)c1coc(C)c1 97684436 343703141 /nfs/dbraw/zinc/70/31/41/343703141.db2.gz JUOAOQRNJOARBN-QMMMGPOBSA-N 0 0 154.213 1.502 10 0 ADAERN CC[C@@H](NN)[C@@]1(C)CCCS1 97684507 343703177 /nfs/dbraw/zinc/70/31/77/343703177.db2.gz DFNGQMWICSIFLY-HTQZYQBOSA-N 0 0 174.313 1.514 10 0 ADAERN CC[C@H](NN)[C@]1(C)CCCS1 97684504 343703190 /nfs/dbraw/zinc/70/31/90/343703190.db2.gz DFNGQMWICSIFLY-YUMQZZPRSA-N 0 0 174.313 1.514 10 0 ADAERN CC[C@@H](NN)[C@]1(C)CCCS1 97684505 343703208 /nfs/dbraw/zinc/70/32/08/343703208.db2.gz DFNGQMWICSIFLY-SFYZADRCSA-N 0 0 174.313 1.514 10 0 ADAERN CCn1cc(/C(C)=C\C(=O)OC)cn1 97758969 343703455 /nfs/dbraw/zinc/70/34/55/343703455.db2.gz CANIVZWVMJIYES-YVMONPNESA-N 0 0 194.234 1.479 10 0 ADAERN Cc1nnc(NCC(F)F)s1 98000807 343704077 /nfs/dbraw/zinc/70/40/77/343704077.db2.gz PYVPCDJLDYNTMF-UHFFFAOYSA-N 0 0 179.195 1.524 10 0 ADAERN CN1CCC[C@H]1c1cccc[n+]1[O-] 97975539 343704101 /nfs/dbraw/zinc/70/41/01/343704101.db2.gz DDXNCCMCQQALHD-VIFPVBQESA-N 0 0 178.235 1.087 10 0 ADAERN FC(F)CNc1ncnc2nc[nH]c12 98000817 343704679 /nfs/dbraw/zinc/70/46/79/343704679.db2.gz KPMDMRXIKIEBDT-UHFFFAOYSA-N 0 0 199.164 1.030 10 0 ADAERN Cc1nsc(NCC(F)F)n1 98000824 343704759 /nfs/dbraw/zinc/70/47/59/343704759.db2.gz KEALNZFIMWELOW-UHFFFAOYSA-N 0 0 179.195 1.524 10 0 ADAERN FC(F)CNc1cccnn1 98000837 343704802 /nfs/dbraw/zinc/70/48/02/343704802.db2.gz PLGKLUYKPUQDSM-UHFFFAOYSA-N 0 0 159.139 1.154 10 0 ADAERN Cc1c(N)ccc2[nH]c(=O)ccc12 98095511 343704961 /nfs/dbraw/zinc/70/49/61/343704961.db2.gz CDBOFKBEJVHKPR-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN CC/C=C\COC(=O)c1ncccn1 98056333 343704997 /nfs/dbraw/zinc/70/49/97/343704997.db2.gz NWFLOMTUVKNQSO-ARJAWSKDSA-N 0 0 192.218 1.600 10 0 ADAERN CCc1occc1C=O 98108562 343705454 /nfs/dbraw/zinc/70/54/54/343705454.db2.gz MWHHCNAQVHFLNC-UHFFFAOYSA-N 0 0 124.139 1.655 10 0 ADAERN c1cc(-c2ccon2)co1 98177331 343706121 /nfs/dbraw/zinc/70/61/21/343706121.db2.gz RZAPLMVADBRJHA-UHFFFAOYSA-N 0 0 135.122 1.935 10 0 ADAERN CNC(=O)C1CCC(C)CC1 98197519 343707186 /nfs/dbraw/zinc/70/71/86/343707186.db2.gz NKBAXJABCMVBIS-UHFFFAOYSA-N 0 0 155.241 1.559 10 0 ADAERN CCc1noc(N)c1Cl 98210144 343707721 /nfs/dbraw/zinc/70/77/21/343707721.db2.gz NLOOZTNYOGKANM-UHFFFAOYSA-N 0 0 146.577 1.473 10 0 ADAERN Cc1cc(=O)[nH]c2c3ccccc3nn12 100059804 343710153 /nfs/dbraw/zinc/71/01/53/343710153.db2.gz QLQKQNYUEPJYHD-UHFFFAOYSA-N 0 0 199.213 1.484 10 0 ADAERN CC1=CNC(c2ccccc2)C(=O)N1 100086078 343710837 /nfs/dbraw/zinc/71/08/37/343710837.db2.gz KDMIBPNGNDWICH-UHFFFAOYSA-N 0 0 188.230 1.925 10 0 ADAERN CC(C)CC=O 100097588 343710897 /nfs/dbraw/zinc/71/08/97/343710897.db2.gz QVDTXNVYSHVCGW-ONEGZZNKSA-N 0 0 86.134 1.714 10 0 in-vitro ADAERN CCCCCc1c(C)[nH][nH]c1=O 100127729 343711420 /nfs/dbraw/zinc/71/14/20/343711420.db2.gz ZPUSDMNVLZKCGZ-MRVPVSSYSA-N 0 0 168.240 1.689 10 0 ADAERN Cc1cn2c(O)cccc2n1 100130497 343711504 /nfs/dbraw/zinc/71/15/04/343711504.db2.gz QYOKQMBHYUJZML-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN CCCCCc1c(C)[nH][nH]c1=O 100127737 343711575 /nfs/dbraw/zinc/71/15/75/343711575.db2.gz ZPUSDMNVLZKCGZ-QMMMGPOBSA-N 0 0 168.240 1.689 10 0 ADAERN Cc1ccc(-c2cc(=O)[nH][nH]2)cc1 100127696 343711603 /nfs/dbraw/zinc/71/16/03/343711603.db2.gz DDFWVWUTJUSDMK-UHFFFAOYSA-N 0 0 174.203 1.219 10 0 ADAERN Cc1nc2c(O)ccc(O)c2n1C 100176405 343712135 /nfs/dbraw/zinc/71/21/35/343712135.db2.gz QVQFRWCSOXDKBA-UHFFFAOYSA-N 0 0 178.191 1.293 10 0 ADAERN Cc1cc(=O)n(-c2cccc(N)c2)[nH]1 100197400 343712338 /nfs/dbraw/zinc/71/23/38/343712338.db2.gz FGMUVFZKVONOFQ-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CCOC(=O)C(C)C(C)=O 100219477 343712932 /nfs/dbraw/zinc/71/29/32/343712932.db2.gz DBWOGUVMJLALME-WAYWQWQTSA-N 0 0 144.170 1.401 10 0 ADAERN C[S@@](=N)(=O)c1nccs1 100241793 343713623 /nfs/dbraw/zinc/71/36/23/343713623.db2.gz BWCGDRSRLDZOHY-SECBINFHSA-N 0 0 162.239 1.179 10 0 ADAERN CC1=CN(C)C(=O)C1C 100248478 343713748 /nfs/dbraw/zinc/71/37/48/343713748.db2.gz ZEUWUONUTPSVLH-UHFFFAOYSA-N 0 0 125.171 1.348 10 0 ADAERN Cc1c[nH]c(C)c1C=O 100247417 343713760 /nfs/dbraw/zinc/71/37/60/343713760.db2.gz FQKSNXNFUUVGNA-QPJJXVBHSA-N 0 0 123.155 1.807 10 0 ADAERN CCC1C=COC1=O 100279495 343714474 /nfs/dbraw/zinc/71/44/74/343714474.db2.gz RLPQPHISCURSNX-UHFFFAOYSA-N 0 0 112.128 1.548 10 0 ADAERN Cc1cc(C)c2c(=O)onc-2[nH]1 100279753 343714476 /nfs/dbraw/zinc/71/44/76/343714476.db2.gz LGHPZIRJUAUCSP-UHFFFAOYSA-N 0 0 164.164 1.133 10 0 ADAERN C[C@@]1(O)C=C2SC=CNC2C1=O 100299125 343715126 /nfs/dbraw/zinc/71/51/26/343715126.db2.gz LHJJHNPFDMGTGH-MRVPVSSYSA-N 0 0 183.232 1.212 10 0 ADAERN CO[C@@H]1Oc2ccccc2C1=O 100301156 343715181 /nfs/dbraw/zinc/71/51/81/343715181.db2.gz JINNLOYWFKCIDH-SECBINFHSA-N 0 0 164.160 1.234 10 0 ADAERN C[C@H]1CC[C@H](O)C[C@H]1C 100303337 343715205 /nfs/dbraw/zinc/71/52/05/343715205.db2.gz ZBAXJUPCYVIBSP-RNJXMRFFSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@]1(O)C=C2SC=CNC2C1=O 100299121 343715214 /nfs/dbraw/zinc/71/52/14/343715214.db2.gz LHJJHNPFDMGTGH-QMMMGPOBSA-N 0 0 183.232 1.212 10 0 ADAERN CCCCNC(=O)Cc1ccccn1 100316929 343715350 /nfs/dbraw/zinc/71/53/50/343715350.db2.gz LTVQBQWNOXXFQH-UHFFFAOYSA-N 0 0 192.262 1.540 10 0 ADAERN CCCCCc1cc(=O)[nH][nH]1 100308455 343715372 /nfs/dbraw/zinc/71/53/72/343715372.db2.gz ZCGPRFGCTOBVSW-UHFFFAOYSA-N 0 0 154.213 1.443 10 0 ADAERN CC1=NC(c2ccccc2)=NC1 100318375 343715460 /nfs/dbraw/zinc/71/54/60/343715460.db2.gz CHCPMMYAFDPVHS-UHFFFAOYSA-N 0 0 158.204 1.908 10 0 ADAERN CC=CCCc1cc(=O)[nH][nH]1 100308445 343715462 /nfs/dbraw/zinc/71/54/62/343715462.db2.gz KAAYOPFHNAIKAQ-NSCUHMNNSA-N 0 0 152.197 1.219 10 0 ADAERN CC1=NC(C)(C)N(O)C1(C)C 100411160 343716441 /nfs/dbraw/zinc/71/64/41/343716441.db2.gz ZICZZIRIRHGROF-UHFFFAOYSA-N 0 0 155.221 1.623 10 0 ADAERN Cc1nc(N)c2c(=S)cccc-2[nH]1 100427574 343716665 /nfs/dbraw/zinc/71/66/65/343716665.db2.gz OMJSJKNHSXPZSC-UHFFFAOYSA-N 0 0 191.259 1.809 10 0 ADAERN Cc1c[nH]c2c1c(Cl)cc[n+]2[O-] 100457270 343717079 /nfs/dbraw/zinc/71/70/79/343717079.db2.gz KLEXZSJIFQQAFT-UHFFFAOYSA-N 0 0 182.610 1.763 10 0 ADAERN COc1cc(N)c2c(c1)CCCN2 100722892 343720041 /nfs/dbraw/zinc/72/00/41/343720041.db2.gz SMXAHIVKSAQNPL-UHFFFAOYSA-N 0 0 178.235 1.636 10 0 ADAERN S=C1CN2CCCC2=N1 101115031 343722563 /nfs/dbraw/zinc/72/25/63/343722563.db2.gz PQPFQDNMAGEJKB-UHFFFAOYSA-N 0 0 140.211 1.118 10 0 ADAERN C[C@H]1CC[C@H](C)[NH+]1[C@H](C)C(=O)[O-] 101211006 343723253 /nfs/dbraw/zinc/72/32/53/343723253.db2.gz GQOWMXZFHLFMGN-BIIVOSGPSA-N 0 0 171.240 1.332 10 0 ADAERN CCCCCNC(=O)[C@@H]1CCCC1=O 101450067 343723529 /nfs/dbraw/zinc/72/35/29/343723529.db2.gz ULLKRVXXOUUYEE-SECBINFHSA-N 0 0 197.278 1.662 10 0 ADAERN C/C=C\NC(=O)Cc1ccccc1 101890861 343725227 /nfs/dbraw/zinc/72/52/27/343725227.db2.gz MOVSJTIDMTVIND-WAPJZHGLSA-N 0 0 175.231 1.879 10 0 ADAERN CC1(C)CCC(C)(C)N1O 102056607 343725277 /nfs/dbraw/zinc/72/52/77/343725277.db2.gz RPDUDBYMNGAHEM-UHFFFAOYSA-N 0 0 142.222 1.985 10 0 ADAERN Cc1nnc([C@H](O)[C@@H]2CC=CCC2)[nH]1 103193176 343726829 /nfs/dbraw/zinc/72/68/29/343726829.db2.gz PZSKNRGOJRKXFP-RKDXNWHRSA-N 0 0 193.250 1.503 10 0 ADAERN Cc1nnc([C@@H](O)[C@H]2CC=CCC2)[nH]1 103193174 343726862 /nfs/dbraw/zinc/72/68/62/343726862.db2.gz PZSKNRGOJRKXFP-IUCAKERBSA-N 0 0 193.250 1.503 10 0 ADAERN Cc1nnc([C@H](O)[C@H]2CC=CCC2)[nH]1 103193172 343726892 /nfs/dbraw/zinc/72/68/92/343726892.db2.gz PZSKNRGOJRKXFP-DTWKUNHWSA-N 0 0 193.250 1.503 10 0 ADAERN Cc1nnc([C@@H](O)[C@@H]2CC=CCC2)[nH]1 103193178 343726935 /nfs/dbraw/zinc/72/69/35/343726935.db2.gz PZSKNRGOJRKXFP-BDAKNGLRSA-N 0 0 193.250 1.503 10 0 ADAERN CC[C@H]1C(=O)N(C)c2ccc(O)cc21 103628595 343727471 /nfs/dbraw/zinc/72/74/71/343727471.db2.gz ZDPJGRNBWBUKAT-MRVPVSSYSA-N 0 0 191.230 1.862 10 0 ADAERN Cc1ccc(N)o1 103624562 343727481 /nfs/dbraw/zinc/72/74/81/343727481.db2.gz CEYZMDTUSWMVCO-UHFFFAOYSA-N 0 0 97.117 1.170 10 0 ADAERN COC(=O)C(=O)Cc1cccs1 104166304 343729297 /nfs/dbraw/zinc/72/92/97/343729297.db2.gz ZHHGVIMCXWHRDI-UHFFFAOYSA-N 0 0 184.216 1.033 10 0 ADAERN CCC(=O)CN1CC1 104375350 343730964 /nfs/dbraw/zinc/73/09/64/343730964.db2.gz ZGIGJCNPZCKNSK-AATRIKPKSA-N 0 0 113.160 1.111 10 0 ADAERN CC[C@H](C)c1cncc(OC)n1 104367829 343731003 /nfs/dbraw/zinc/73/10/03/343731003.db2.gz CRSGGIZVNCNYRT-ZETCQYMHSA-N 0 0 166.224 1.999 10 0 ADAERN O=Cc1ccccc1-c1ncccn1 104453249 343731420 /nfs/dbraw/zinc/73/14/20/343731420.db2.gz JRLUKOVCDNSLJA-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN [NH3+][C@@H](c1cccc(C(=O)[O-])c1)C1CC1 104400115 343731436 /nfs/dbraw/zinc/73/14/36/343731436.db2.gz LHHGUYVCFZPYJH-SNVBAGLBSA-N 0 0 191.230 1.795 10 0 ADAERN CCN1C(=O)CC[C@H]1c1ccccn1 104376524 343731483 /nfs/dbraw/zinc/73/14/83/343731483.db2.gz QGYFDYYUUAANGA-JTQLQIEISA-N 0 0 190.246 1.765 10 0 ADAERN C[C@@H]1OC(=O)CC1(C)C 104395986 343731567 /nfs/dbraw/zinc/73/15/67/343731567.db2.gz LPLUNGXZFNJJBZ-YFKPBYRVSA-N 0 0 128.171 1.348 10 0 ADAERN COC(=O)c1ccnc2ncccc12 104461497 343731774 /nfs/dbraw/zinc/73/17/74/343731774.db2.gz OLCRSKVYJXNGLF-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN COC(=O)C[C@H](O)Cc1ccccc1 104460641 343731936 /nfs/dbraw/zinc/73/19/36/343731936.db2.gz KUWWVYHNMGLJKE-SNVBAGLBSA-N 0 0 194.230 1.153 10 0 ADAERN CCCCNC(=O)[C@@H]1[C@H]2C(=O)CC[C@H]21 104474731 343731955 /nfs/dbraw/zinc/73/19/55/343731955.db2.gz GIJSXPXXUHYRQZ-QNSHHTMESA-N 0 0 195.262 1.128 10 0 ADAERN CCOC(=O)C(CC)C(=O)OCC 104462634 343732134 /nfs/dbraw/zinc/73/21/34/343732134.db2.gz JBRFPUOICIFMPU-BQYQJAHWSA-N 0 0 188.223 1.766 10 0 ADAERN C[C@H]1CC[C@@H](CC(N)=O)C1 104554660 343732386 /nfs/dbraw/zinc/73/23/86/343732386.db2.gz GJOQFDKFTONJHH-NKWVEPMBSA-N 0 0 141.214 1.298 10 0 ADAERN CO[C@H]1CCC[C@@H](OC)C1 104531552 343732470 /nfs/dbraw/zinc/73/24/70/343732470.db2.gz MQTLTQMOALIWRO-OCAPTIKFSA-N 0 0 144.214 1.590 10 0 ADAERN CCc1cccc(C(C)=O)n1 104528854 343732547 /nfs/dbraw/zinc/73/25/47/343732547.db2.gz VNJXVAZKFUDZAZ-UHFFFAOYSA-N 0 0 149.193 1.847 10 0 ADAERN C[C@H]1CC[C@H](CC(N)=O)C1 104554647 343732563 /nfs/dbraw/zinc/73/25/63/343732563.db2.gz GJOQFDKFTONJHH-BQBZGAKWSA-N 0 0 141.214 1.298 10 0 ADAERN CO[C@H]1CCC[C@H](OC)C1 104531559 343732566 /nfs/dbraw/zinc/73/25/66/343732566.db2.gz MQTLTQMOALIWRO-YUMQZZPRSA-N 0 0 144.214 1.590 10 0 ADAERN CO[C@@H]1CCC[C@@H](OC)C1 104531562 343732675 /nfs/dbraw/zinc/73/26/75/343732675.db2.gz MQTLTQMOALIWRO-HTQZYQBOSA-N 0 0 144.214 1.590 10 0 ADAERN NC(=O)C[C@H]1CC=CCC1 104571647 343733022 /nfs/dbraw/zinc/73/30/22/343733022.db2.gz CJTUPGKKDVXUSS-ZETCQYMHSA-N 0 0 139.198 1.218 10 0 ADAERN NC(=O)C[C@@H]1CC=CCC1 104571645 343733042 /nfs/dbraw/zinc/73/30/42/343733042.db2.gz CJTUPGKKDVXUSS-SSDOTTSWSA-N 0 0 139.198 1.218 10 0 ADAERN Cc1c(N)ccc2c1COC2 104582882 343733433 /nfs/dbraw/zinc/73/34/33/343733433.db2.gz QMUNGVHKZHNRLG-UHFFFAOYSA-N 0 0 149.193 1.607 10 0 ADAERN CNc1c[nH+]c(N)c(C)c1 104587344 343733463 /nfs/dbraw/zinc/73/34/63/343733463.db2.gz YTAKUOKPQZPHCT-UHFFFAOYSA-N 0 0 137.186 1.014 10 0 ADAERN C/C=C/CNC(=O)OCC 104621120 343734028 /nfs/dbraw/zinc/73/40/28/343734028.db2.gz QPWJSCUXAMFIDG-HWKANZROSA-N 0 0 143.186 1.309 10 0 ADAERN CC(C)[C@@H]1NC(=O)O[C@@H]1C 104631799 343734096 /nfs/dbraw/zinc/73/40/96/343734096.db2.gz DXKWZMBVJVXZPZ-RITPCOANSA-N 0 0 143.186 1.139 10 0 ADAERN CCCC/C=C/NC(C)=O 104630087 343734128 /nfs/dbraw/zinc/73/41/28/343734128.db2.gz FKPDSVXLAARYIA-VOTSOKGWSA-N 0 0 141.214 1.826 10 0 ADAERN CC(C)[C@@H]1NC(=O)O[C@H]1C 104631796 343734215 /nfs/dbraw/zinc/73/42/15/343734215.db2.gz DXKWZMBVJVXZPZ-WDSKDSINSA-N 0 0 143.186 1.139 10 0 ADAERN C=Cc1ccccc1NC=O 104627452 343734227 /nfs/dbraw/zinc/73/42/27/343734227.db2.gz CQAWXQPIQGVGLI-UHFFFAOYSA-N 0 0 147.177 1.898 10 0 ADAERN CCc1cc(C)cnc1C=O 104675147 343734495 /nfs/dbraw/zinc/73/44/95/343734495.db2.gz KRNQWFWNDRGVHH-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN Nc1ccccc1CP 104654063 343734649 /nfs/dbraw/zinc/73/46/49/343734649.db2.gz CCLCGVGMUYQVGQ-UHFFFAOYSA-N 0 0 139.138 1.644 10 0 ADAERN Nc1ccc2c(c1F)CCC2=O 104682589 343734653 /nfs/dbraw/zinc/73/46/53/343734653.db2.gz PLPIJYDWHZWPLC-UHFFFAOYSA-N 0 0 165.167 1.537 10 0 ADAERN CC(C)C/C=C/C(N)=O 104658224 343734669 /nfs/dbraw/zinc/73/46/69/343734669.db2.gz GTPGJHZHLTWXKH-HWKANZROSA-N 0 0 127.187 1.074 10 0 ADAERN C1=CCc2c[nH]cc2C1 104690357 343735118 /nfs/dbraw/zinc/73/51/18/343735118.db2.gz DTLYTLITBQNWIL-UHFFFAOYSA-N 0 0 119.167 1.670 10 0 ADAERN C/C=C/NC(=O)C(C)(C)C 104698404 343735327 /nfs/dbraw/zinc/73/53/27/343735327.db2.gz URAAXPJKLGRLJC-AATRIKPKSA-N 0 0 141.214 1.682 10 0 ADAERN C=C(NC=O)c1ccccc1 104715385 343735905 /nfs/dbraw/zinc/73/59/05/343735905.db2.gz KIBWTFQIGUTSKE-UHFFFAOYSA-N 0 0 147.177 1.403 10 0 ADAERN Cc1c[nH]c(C2CC2)n1 104707957 343735914 /nfs/dbraw/zinc/73/59/14/343735914.db2.gz MLNFYQLXIZUERK-UHFFFAOYSA-N 0 0 122.171 1.596 10 0 ADAERN CCCNC(=O)c1ccc(N)o1 105515380 343736503 /nfs/dbraw/zinc/73/65/03/343736503.db2.gz BRKMXNBJPSEJHE-UHFFFAOYSA-N 0 0 168.196 1.002 10 0 ADAERN C[C@H]1Oc2cc3c(cc2C1=O)OCO3 105738287 343737300 /nfs/dbraw/zinc/73/73/00/343737300.db2.gz KKBSEUNVZKPUGD-RXMQYKEDSA-N 0 0 192.170 1.379 10 0 ADAERN C#CCN1CCCC[C@@H]1C(=O)OCC 105947304 343737547 /nfs/dbraw/zinc/73/75/47/343737547.db2.gz GKCIGTQSIAOSSJ-SNVBAGLBSA-N 0 0 195.262 1.037 10 0 ADAERN CC[C@H](N[C@@H](C)C(C)C)C(=O)OC 106032240 343737588 /nfs/dbraw/zinc/73/75/88/343737588.db2.gz HUSVFZGPHMGJBS-IUCAKERBSA-N 0 0 187.283 1.572 10 0 ADAERN Nc1ccc(-c2ccc[nH]2)nn1 105979734 343737601 /nfs/dbraw/zinc/73/76/01/343737601.db2.gz ZHIGHSWMGARWTB-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN CC[C@H](N[C@H](C)C(C)C)C(=O)OC 106032245 343737678 /nfs/dbraw/zinc/73/76/78/343737678.db2.gz HUSVFZGPHMGJBS-BDAKNGLRSA-N 0 0 187.283 1.572 10 0 ADAERN CC[C@@H](N[C@@H](C)C(C)C)C(=O)OC 106032243 343737696 /nfs/dbraw/zinc/73/76/96/343737696.db2.gz HUSVFZGPHMGJBS-DTWKUNHWSA-N 0 0 187.283 1.572 10 0 ADAERN CC[C@@H](N[C@H](C)C(C)C)C(=O)OC 106032248 343737699 /nfs/dbraw/zinc/73/76/99/343737699.db2.gz HUSVFZGPHMGJBS-RKDXNWHRSA-N 0 0 187.283 1.572 10 0 ADAERN CCNC(=O)/C=C\c1ccc(C)o1 106368641 343737785 /nfs/dbraw/zinc/73/77/85/343737785.db2.gz MXIQXIFKFNAVGR-SREVYHEPSA-N 0 0 179.219 1.737 10 0 ADAERN C#CCN1CCCC[C@H]1C(=O)OCC 105947300 343737801 /nfs/dbraw/zinc/73/78/01/343737801.db2.gz GKCIGTQSIAOSSJ-JTQLQIEISA-N 0 0 195.262 1.037 10 0 ADAERN Nc1nc(NC2CCCC2)ncc1F 106873191 343738968 /nfs/dbraw/zinc/73/89/68/343738968.db2.gz PXOVMAKGKYZCDR-UHFFFAOYSA-N 0 0 196.229 1.552 10 0 ADAERN C[C@H](O)C(=O)c1coc2ccccc12 106871126 343738980 /nfs/dbraw/zinc/73/89/80/343738980.db2.gz ZXNRSWFJUCRLGW-ZETCQYMHSA-N 0 0 190.198 1.996 10 0 ADAERN COc1ccc(C)cc1C(=O)[C@@H](C)O 106871920 343739086 /nfs/dbraw/zinc/73/90/86/343739086.db2.gz KJGGUGJYABGOGI-MRVPVSSYSA-N 0 0 194.230 1.567 10 0 ADAERN CSc1ccc(C(=O)[C@H](C)O)cc1 106873362 343739100 /nfs/dbraw/zinc/73/91/00/343739100.db2.gz PCIHXNMKKFTUNP-ZETCQYMHSA-N 0 0 196.271 1.972 10 0 ADAERN CCCCNC(=O)C1CCC(=O)CC1 106874580 343739137 /nfs/dbraw/zinc/73/91/37/343739137.db2.gz YYTXZIKJEWSNMZ-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN C[C@H](O)C(=O)c1cc(F)ccc1F 106870434 343739154 /nfs/dbraw/zinc/73/91/54/343739154.db2.gz PHXFXRWOWIIKAH-YFKPBYRVSA-N 0 0 186.157 1.528 10 0 ADAERN C[C@H]1NCC(=O)N1C1CCCCCC1 106873724 343739165 /nfs/dbraw/zinc/73/91/65/343739165.db2.gz IYZYELWBYDKAEG-VIFPVBQESA-N 0 0 196.294 1.487 10 0 ADAERN C[C@H]1NCN(C2CCCCCC2)C1=O 106873727 343739195 /nfs/dbraw/zinc/73/91/95/343739195.db2.gz JCYHJZYZLKRZOQ-SECBINFHSA-N 0 0 196.294 1.487 10 0 ADAERN Cc1cc(C(=O)[C@@H](C)O)ccc1F 106869455 343739213 /nfs/dbraw/zinc/73/92/13/343739213.db2.gz WTRVSROFSYJNJT-SSDOTTSWSA-N 0 0 182.194 1.698 10 0 ADAERN C[C@H](O)C(=O)c1ccc2c(c1)CCC2 106871172 343739260 /nfs/dbraw/zinc/73/92/60/343739260.db2.gz GIIBNVQGJVZKDV-QMMMGPOBSA-N 0 0 190.242 1.739 10 0 ADAERN C[C@@H]1NCN(C2CCCCCC2)C1=O 106873729 343739265 /nfs/dbraw/zinc/73/92/65/343739265.db2.gz JCYHJZYZLKRZOQ-VIFPVBQESA-N 0 0 196.294 1.487 10 0 ADAERN Cc1ccc(C(=O)[C@@H](C)O)c(C)c1 106868528 343739273 /nfs/dbraw/zinc/73/92/73/343739273.db2.gz UWGHJIFJIHDHEP-SECBINFHSA-N 0 0 178.231 1.867 10 0 ADAERN CSc1ccc(C(=O)[C@@H](C)O)cc1 106873365 343739284 /nfs/dbraw/zinc/73/92/84/343739284.db2.gz PCIHXNMKKFTUNP-SSDOTTSWSA-N 0 0 196.271 1.972 10 0 ADAERN C[C@@H]1NC(=O)C12CCCCC2 107076610 343739463 /nfs/dbraw/zinc/73/94/63/343739463.db2.gz LWZJNAJGMOYDIN-ZETCQYMHSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@H]1NC(=O)C12CCCCC2 107076607 343739505 /nfs/dbraw/zinc/73/95/05/343739505.db2.gz LWZJNAJGMOYDIN-SSDOTTSWSA-N 0 0 153.225 1.455 10 0 ADAERN CC(C)(C)C(C)(C)N1CCNCC1=O 106875820 343739536 /nfs/dbraw/zinc/73/95/36/343739536.db2.gz VGURNEYQMXBLMO-UHFFFAOYSA-N 0 0 198.310 1.243 10 0 ADAERN C[C@@H]1NC(=O)C12CCCC2 107076629 343739548 /nfs/dbraw/zinc/73/95/48/343739548.db2.gz UDPYSBFVOPHVPT-LURJTMIESA-N 0 0 139.198 1.065 10 0 ADAERN CC1=NN(C(C)C)C(=O)C12CC2 107075322 343739550 /nfs/dbraw/zinc/73/95/50/343739550.db2.gz RMFJJYBEMGXGLO-UHFFFAOYSA-N 0 0 166.224 1.393 10 0 ADAERN N[C@H](C(=O)C1CC1)c1ccccc1 107087018 343739631 /nfs/dbraw/zinc/73/96/31/343739631.db2.gz DSQNFLVDFBRYPQ-JTQLQIEISA-N 0 0 175.231 1.666 10 0 ADAERN CCn1[nH]c2ccccc2c1=O 107084575 343739641 /nfs/dbraw/zinc/73/96/41/343739641.db2.gz MZCCRJKEIULRGD-UHFFFAOYSA-N 0 0 162.192 1.350 10 0 ADAERN COC(=O)c1nc(C2CC2)sc1N 106875303 343739646 /nfs/dbraw/zinc/73/96/46/343739646.db2.gz YDVYDCYBKTWCDG-UHFFFAOYSA-N 0 0 198.247 1.389 10 0 ADAERN CC(C)NC(=O)Nc1nncs1 107087368 343739663 /nfs/dbraw/zinc/73/96/63/343739663.db2.gz GCAPBKBWZDIKPP-UHFFFAOYSA-N 0 0 186.240 1.068 10 0 ADAERN CNC(=O)Nc1ccc(Cl)c(N)c1 106877398 343739673 /nfs/dbraw/zinc/73/96/73/343739673.db2.gz NMILNKDKVMYQJC-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN N[C@@H](C(=O)C1CC1)c1ccccc1 107087023 343739725 /nfs/dbraw/zinc/73/97/25/343739725.db2.gz DSQNFLVDFBRYPQ-SNVBAGLBSA-N 0 0 175.231 1.666 10 0 ADAERN C[C@H]1NC(=O)C12CCCC2 107076627 343739730 /nfs/dbraw/zinc/73/97/30/343739730.db2.gz UDPYSBFVOPHVPT-ZCFIWIBFSA-N 0 0 139.198 1.065 10 0 ADAERN Nc1ccc(-c2cc(N)on2)cc1 107072921 343739737 /nfs/dbraw/zinc/73/97/37/343739737.db2.gz IWAMUKYOABSUDT-UHFFFAOYSA-N 0 0 175.191 1.506 10 0 ADAERN CC(C)c1cc(=NN)o[nH]1 107076796 343739738 /nfs/dbraw/zinc/73/97/38/343739738.db2.gz JGAFSIWXQXGQNE-UHFFFAOYSA-N 0 0 141.174 1.084 10 0 ADAERN Cc1coc(C=O)c1C 107114610 343740044 /nfs/dbraw/zinc/74/00/44/343740044.db2.gz LBNGKDIXNBJVFT-UHFFFAOYSA-N 0 0 124.139 1.709 10 0 ADAERN CCc1nc(C)oc1C=O 107115472 343740103 /nfs/dbraw/zinc/74/01/03/343740103.db2.gz FGXQYMNEKSUAAU-UHFFFAOYSA-N 0 0 139.154 1.358 10 0 ADAERN O=Cc1occc1C1CC1 107115312 343740133 /nfs/dbraw/zinc/74/01/33/343740133.db2.gz MYBLGCCHOIGILX-UHFFFAOYSA-N 0 0 136.150 1.970 10 0 ADAERN CC[C@]1(O)CCS[C@@H]1C 107116807 343740422 /nfs/dbraw/zinc/74/04/22/343740422.db2.gz XOJZPMRVUVONKL-RQJHMYQMSA-N 0 0 146.255 1.653 10 0 ADAERN CC[C@]1(O)CCS[C@H]1C 107116813 343740454 /nfs/dbraw/zinc/74/04/54/343740454.db2.gz XOJZPMRVUVONKL-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN CCc1ncnc(Cl)n1 107116227 343740520 /nfs/dbraw/zinc/74/05/20/343740520.db2.gz KFQDAKDXNJLACI-UHFFFAOYSA-N 0 0 143.577 1.087 10 0 ADAERN CC[C@@]1(O)CCS[C@H]1C 107116815 343740543 /nfs/dbraw/zinc/74/05/43/343740543.db2.gz XOJZPMRVUVONKL-NKWVEPMBSA-N 0 0 146.255 1.653 10 0 ADAERN Cc1cc2onc(N)c2cn1 107117025 343740605 /nfs/dbraw/zinc/74/06/05/343740605.db2.gz YEZVWOCXWIAIMA-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN CC(C)C[C@H]1CCOC(=O)C1 107118296 343740793 /nfs/dbraw/zinc/74/07/93/343740793.db2.gz RXKXDGUCPYKTQH-MRVPVSSYSA-N 0 0 156.225 1.986 10 0 ADAERN CC(C)c1ncnc(Cl)n1 107118919 343740842 /nfs/dbraw/zinc/74/08/42/343740842.db2.gz IKLTZBZUZJAZNQ-UHFFFAOYSA-N 0 0 157.604 1.648 10 0 ADAERN CC(C)C[C@@H]1CCOC(=O)C1 107118294 343740945 /nfs/dbraw/zinc/74/09/45/343740945.db2.gz RXKXDGUCPYKTQH-QMMMGPOBSA-N 0 0 156.225 1.986 10 0 ADAERN CC(C)CN1CCCC(=O)C1 107118143 343741099 /nfs/dbraw/zinc/74/10/99/343741099.db2.gz BMEVMIBBSJABDC-UHFFFAOYSA-N 0 0 155.241 1.307 10 0 ADAERN c1cc2c(cn1)NCCCS2 107120942 343741381 /nfs/dbraw/zinc/74/13/81/343741381.db2.gz ZYLBIFKCDMGFFN-UHFFFAOYSA-N 0 0 166.249 1.989 10 0 ADAERN Cc1ccn2nc(Cl)nc2c1 107121466 343741396 /nfs/dbraw/zinc/74/13/96/343741396.db2.gz VOKAJIJDEJHPMH-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN Cc1c(CO)[nH]c2ccccc12 107119995 343741412 /nfs/dbraw/zinc/74/14/12/343741412.db2.gz BYNYWOCKJMPYRJ-UHFFFAOYSA-N 0 0 161.204 1.969 10 0 ADAERN COc1cnc(C(C)C)nc1N 107121216 343741452 /nfs/dbraw/zinc/74/14/52/343741452.db2.gz SPGDCMHPUMWPSB-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN CN1CCOc2cc(O)ccc21 107120473 343741455 /nfs/dbraw/zinc/74/14/55/343741455.db2.gz HQPAKPUZWRXNQS-UHFFFAOYSA-N 0 0 165.192 1.221 10 0 ADAERN CN1CCNc2cccc(F)c21 107120778 343741473 /nfs/dbraw/zinc/74/14/73/343741473.db2.gz SKGLLPFGHLCWRU-UHFFFAOYSA-N 0 0 166.199 1.687 10 0 ADAERN c1cnc2c(c1)NCCCS2 107120944 343741527 /nfs/dbraw/zinc/74/15/27/343741527.db2.gz XSMOMYMHVUFYLR-UHFFFAOYSA-N 0 0 166.249 1.989 10 0 ADAERN O=C1CNc2c(F)cccc2N1 107120682 343741541 /nfs/dbraw/zinc/74/15/41/343741541.db2.gz FVOHWPJRIZOVFW-UHFFFAOYSA-N 0 0 166.155 1.190 10 0 ADAERN Cn1cc(-c2ccccc2O)cn1 107124777 343741862 /nfs/dbraw/zinc/74/18/62/343741862.db2.gz HIKBSDNUSODUPW-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN Nc1ccccc1N1C[C@H]2C[C@H]2C1 107124929 343741907 /nfs/dbraw/zinc/74/19/07/343741907.db2.gz BBFMCLQCQYYDLR-DTORHVGOSA-N 0 0 174.247 1.725 10 0 ADAERN O=C1CCSc2ccncc2N1 107127522 343742278 /nfs/dbraw/zinc/74/22/78/343742278.db2.gz YYEUBKDDDBWVQN-UHFFFAOYSA-N 0 0 180.232 1.516 10 0 ADAERN Nc1cccc(-c2nncs2)c1 107125865 343742281 /nfs/dbraw/zinc/74/22/81/343742281.db2.gz TYIGMTWCSTZPHP-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN C[C@H](CO)N1CCc2ccccc21 107125916 343742335 /nfs/dbraw/zinc/74/23/35/343742335.db2.gz AGWOEXYRGSAILS-SECBINFHSA-N 0 0 177.247 1.430 10 0 ADAERN C[C@H]1CC(=O)Nc2ccncc2N1 107125820 343742425 /nfs/dbraw/zinc/74/24/25/343742425.db2.gz JFZWOPGDZURMGE-LURJTMIESA-N 0 0 177.207 1.224 10 0 ADAERN O=C1CCSc2cnccc2N1 107127518 343742451 /nfs/dbraw/zinc/74/24/51/343742451.db2.gz PXCMWOHXDGYYCD-UHFFFAOYSA-N 0 0 180.232 1.516 10 0 ADAERN Cc1cccc2c1NCCNC2=O 107125399 343742453 /nfs/dbraw/zinc/74/24/53/343742453.db2.gz XHSVHZLPRZMUDJ-UHFFFAOYSA-N 0 0 176.219 1.150 10 0 ADAERN C[C@@H](CO)N1CCc2ccccc21 107125915 343742463 /nfs/dbraw/zinc/74/24/63/343742463.db2.gz AGWOEXYRGSAILS-VIFPVBQESA-N 0 0 177.247 1.430 10 0 ADAERN Oc1cccc(-c2nncs2)c1 107126213 343742477 /nfs/dbraw/zinc/74/24/77/343742477.db2.gz WLJMHMLZTYJKQN-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN C[C@@H]1CC(=O)Nc2ccncc2N1 107125817 343742488 /nfs/dbraw/zinc/74/24/88/343742488.db2.gz JFZWOPGDZURMGE-ZCFIWIBFSA-N 0 0 177.207 1.224 10 0 ADAERN O=C1CCSc2ncccc2N1 107127525 343742513 /nfs/dbraw/zinc/74/25/13/343742513.db2.gz TWEPKAJPHQUUHY-UHFFFAOYSA-N 0 0 180.232 1.516 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@H+]1C[C@H]2C[C@H]2C1 107129649 343742651 /nfs/dbraw/zinc/74/26/51/343742651.db2.gz BOKKDMNWUUMCEE-YIZRAAEISA-N 0 0 183.251 1.047 10 0 ADAERN O=C1CCCN(c2nccs2)C1 107128915 343742702 /nfs/dbraw/zinc/74/27/02/343742702.db2.gz IGUBFITUGRVWMH-UHFFFAOYSA-N 0 0 182.248 1.312 10 0 ADAERN COc1cnc(C(C)(C)C)nc1N 107128394 343742823 /nfs/dbraw/zinc/74/28/23/343742823.db2.gz NBCMDKJQZAVTAR-UHFFFAOYSA-N 0 0 181.239 1.365 10 0 ADAERN O=C1CSc2c(F)cccc2N1 107129201 343742869 /nfs/dbraw/zinc/74/28/69/343742869.db2.gz BGMFYGDNRGYRGS-UHFFFAOYSA-N 0 0 183.207 1.870 10 0 ADAERN C[C@H]1SCC[C@@]1(O)c1ccco1 107130368 343743192 /nfs/dbraw/zinc/74/31/92/343743192.db2.gz AFDVLFAVDRIVSV-APPZFPTMSA-N 0 0 184.260 1.993 10 0 ADAERN C[C@@H]1SCC[C@]1(O)c1ccco1 107130375 343743320 /nfs/dbraw/zinc/74/33/20/343743320.db2.gz AFDVLFAVDRIVSV-IONNQARKSA-N 0 0 184.260 1.993 10 0 ADAERN C[C@H]1SCC[C@]1(O)c1ccco1 107130373 343743332 /nfs/dbraw/zinc/74/33/32/343743332.db2.gz AFDVLFAVDRIVSV-VXNVDRBHSA-N 0 0 184.260 1.993 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)c1ccco1 107130370 343743452 /nfs/dbraw/zinc/74/34/52/343743452.db2.gz AFDVLFAVDRIVSV-CBAPKCEASA-N 0 0 184.260 1.993 10 0 ADAERN CN1CCN(c2ccccc2N)C1=O 107135013 343743664 /nfs/dbraw/zinc/74/36/64/343743664.db2.gz PWLPSKCUNDSRHT-UHFFFAOYSA-N 0 0 191.234 1.141 10 0 ADAERN CCc1cccc2c1NCCNC2=O 107134444 343743704 /nfs/dbraw/zinc/74/37/04/343743704.db2.gz AEBBKZVPZVTLPP-UHFFFAOYSA-N 0 0 190.246 1.404 10 0 ADAERN O=C1CCCN(Cc2cccnc2)C1 107134470 343743729 /nfs/dbraw/zinc/74/37/29/343743729.db2.gz CEBJODSWWLZIMB-UHFFFAOYSA-N 0 0 190.246 1.247 10 0 ADAERN O=C1CCCN(CCC(F)(F)F)C1 107137994 343743830 /nfs/dbraw/zinc/74/38/30/343743830.db2.gz JUZIWYQCFFBJFE-UHFFFAOYSA-N 0 0 195.184 1.604 10 0 ADAERN C[C@@H]1SCC[C@]1(O)c1cncnc1 107139572 343744131 /nfs/dbraw/zinc/74/41/31/343744131.db2.gz RYZJHPHBCVXCOW-IONNQARKSA-N 0 0 196.275 1.190 10 0 ADAERN C[C@@H]1SCC[C@]1(O)c1ccn(C)n1 107141552 343744134 /nfs/dbraw/zinc/74/41/34/343744134.db2.gz XUTTYQSSJRBCST-IONNQARKSA-N 0 0 198.291 1.133 10 0 ADAERN C[C@H]1SCC[C@@]1(O)c1cncnc1 107139564 343744153 /nfs/dbraw/zinc/74/41/53/343744153.db2.gz RYZJHPHBCVXCOW-APPZFPTMSA-N 0 0 196.275 1.190 10 0 ADAERN O=C1CCSc2cc(O)ccc2N1 107138464 343744156 /nfs/dbraw/zinc/74/41/56/343744156.db2.gz WOZFOUOWRNLSPN-UHFFFAOYSA-N 0 0 195.243 1.827 10 0 ADAERN C[C@H]1SCC[C@]1(O)c1ccn(C)n1 107141548 343744167 /nfs/dbraw/zinc/74/41/67/343744167.db2.gz XUTTYQSSJRBCST-VXNVDRBHSA-N 0 0 198.291 1.133 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)c1cncnc1 107139567 343744187 /nfs/dbraw/zinc/74/41/87/343744187.db2.gz RYZJHPHBCVXCOW-CBAPKCEASA-N 0 0 196.275 1.190 10 0 ADAERN C[C@H]1SCC[C@]1(O)c1cncnc1 107139569 343744194 /nfs/dbraw/zinc/74/41/94/343744194.db2.gz RYZJHPHBCVXCOW-VXNVDRBHSA-N 0 0 196.275 1.190 10 0 ADAERN Cc1nc(N2CCC(=O)C2)sc1C 107139550 343744285 /nfs/dbraw/zinc/74/42/85/343744285.db2.gz MWWXCFZGQIWAGC-UHFFFAOYSA-N 0 0 196.275 1.539 10 0 ADAERN CC[C@@]1(C)C(=O)CCN1C 107156792 343744941 /nfs/dbraw/zinc/74/49/41/343744941.db2.gz LNKXXWDMRWVBDL-QMMMGPOBSA-N 0 0 141.214 1.060 10 0 ADAERN CC[C@]1(C)C(=O)CCN1C 107156788 343745116 /nfs/dbraw/zinc/74/51/16/343745116.db2.gz LNKXXWDMRWVBDL-MRVPVSSYSA-N 0 0 141.214 1.060 10 0 ADAERN Clc1cc2oncc2cn1 107158274 343745134 /nfs/dbraw/zinc/74/51/34/343745134.db2.gz VDKUALVKESALLD-UHFFFAOYSA-N 0 0 154.556 1.876 10 0 ADAERN O=Cc1cccc(C2COC2)c1 107159693 343745375 /nfs/dbraw/zinc/74/53/75/343745375.db2.gz VBBXZJXUNXWVTD-UHFFFAOYSA-N 0 0 162.188 1.613 10 0 ADAERN O=Cc1ccccc1C1COC1 107159689 343745391 /nfs/dbraw/zinc/74/53/91/343745391.db2.gz HFFCAEOPGVJKNP-UHFFFAOYSA-N 0 0 162.188 1.613 10 0 ADAERN Cn1c(Cl)nc2ncccc21 107161907 343745406 /nfs/dbraw/zinc/74/54/06/343745406.db2.gz YGCJLTGKBGOELV-UHFFFAOYSA-N 0 0 167.599 1.622 10 0 ADAERN Cc1sccc1[C@@H]([NH3+])C(=O)[O-] 107163367 343745507 /nfs/dbraw/zinc/74/55/07/343745507.db2.gz QMOUBEDGDUNAAG-ZCFIWIBFSA-N 0 0 171.221 1.141 10 0 ADAERN Cc1sccc1[C@H]([NH3+])C(=O)[O-] 107163364 343745591 /nfs/dbraw/zinc/74/55/91/343745591.db2.gz QMOUBEDGDUNAAG-LURJTMIESA-N 0 0 171.221 1.141 10 0 ADAERN Clc1cc2c(cn1)COCC2 107162788 343745616 /nfs/dbraw/zinc/74/56/16/343745616.db2.gz QOIBJOXGHPEWGW-UHFFFAOYSA-N 0 0 169.611 1.808 10 0 ADAERN Cc1cccc2c(C=O)nc(C)n12 107164154 343745783 /nfs/dbraw/zinc/74/57/83/343745783.db2.gz XTXWUWRKSNFVSP-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN Cc1nc(C=O)c2n1CC[C@H](C)C2 107166702 343745894 /nfs/dbraw/zinc/74/58/94/343745894.db2.gz NWTSJCKOZFKBQC-ZETCQYMHSA-N 0 0 178.235 1.586 10 0 ADAERN Cc1nc(C=O)c2n1CC[C@@H](C)C2 107166704 343745879 /nfs/dbraw/zinc/74/58/79/343745879.db2.gz NWTSJCKOZFKBQC-SSDOTTSWSA-N 0 0 178.235 1.586 10 0 ADAERN CN1CCOc2cc(O)ccc2C1 107167165 343745901 /nfs/dbraw/zinc/74/59/01/343745901.db2.gz BKIKZUJOUGHLEI-UHFFFAOYSA-N 0 0 179.219 1.216 10 0 ADAERN Cc1ccn2c(C)nc(C=O)c2c1 107164148 343745907 /nfs/dbraw/zinc/74/59/07/343745907.db2.gz ZRQSXECFDIINBM-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN Cc1nc(C=O)c2n1[C@H](C)CCC2 107166695 343745925 /nfs/dbraw/zinc/74/59/25/343745925.db2.gz VPYLPBUNHMGRDK-SSDOTTSWSA-N 0 0 178.235 1.901 10 0 ADAERN CN1CCOc2c(O)cccc2C1 107167168 343745931 /nfs/dbraw/zinc/74/59/31/343745931.db2.gz CGAXJVLIOXXJPF-UHFFFAOYSA-N 0 0 179.219 1.216 10 0 ADAERN Cc1nc(C=O)c2n1CCC[C@H]2C 107166694 343745953 /nfs/dbraw/zinc/74/59/53/343745953.db2.gz LYQBRRYNNGRAHN-SSDOTTSWSA-N 0 0 178.235 1.901 10 0 ADAERN Cc1nc(C=O)c2n1[C@@H](C)CCC2 107166697 343745988 /nfs/dbraw/zinc/74/59/88/343745988.db2.gz VPYLPBUNHMGRDK-ZETCQYMHSA-N 0 0 178.235 1.901 10 0 ADAERN Cc1nc(C=O)c2n1CCC[C@@H]2C 107166692 343746019 /nfs/dbraw/zinc/74/60/19/343746019.db2.gz LYQBRRYNNGRAHN-ZETCQYMHSA-N 0 0 178.235 1.901 10 0 ADAERN Cc1cccn2c(C)nc(C=O)c12 107164146 343746126 /nfs/dbraw/zinc/74/61/26/343746126.db2.gz MYXZHZVWRZWOLV-UHFFFAOYSA-N 0 0 174.203 1.764 10 0 ADAERN CN(C)C(=O)N1CCCC1(C)C 122403428 343779416 /nfs/dbraw/zinc/77/94/16/343779416.db2.gz JTICVTQOUMYJJA-UHFFFAOYSA-N 0 0 170.256 1.542 10 0 ADAERN CCc1cc(NCC(=O)[O-])cc[nH+]1 107168262 343746424 /nfs/dbraw/zinc/74/64/24/343746424.db2.gz IMQYXNCWTVKXOC-UHFFFAOYSA-N 0 0 180.207 1.141 10 0 ADAERN CCc1nc(C=O)c2n1CC[C@H](C)C2 107179697 343746675 /nfs/dbraw/zinc/74/66/75/343746675.db2.gz PQMASKKYFXCKLR-QMMMGPOBSA-N 0 0 192.262 1.840 10 0 ADAERN Cc1cccc2c(C(=O)[O-])[nH+]c(C)n12 107175204 343746700 /nfs/dbraw/zinc/74/67/00/343746700.db2.gz INJCEUHVYXYNNX-UHFFFAOYSA-N 0 0 190.202 1.649 10 0 ADAERN O=C1CCN([C@@H]2CCSC2)CC1 107172748 343746712 /nfs/dbraw/zinc/74/67/12/343746712.db2.gz WYTFYYBIYFUYMH-MRVPVSSYSA-N 0 0 185.292 1.157 10 0 ADAERN Cc1cccn2c(C)[nH+]c(C(=O)[O-])c12 107175198 343746746 /nfs/dbraw/zinc/74/67/46/343746746.db2.gz SGGVYARQBFJEHQ-UHFFFAOYSA-N 0 0 190.202 1.649 10 0 ADAERN Cc1ccn2c(C)[nH+]c(C(=O)[O-])c2c1 107175200 343746910 /nfs/dbraw/zinc/74/69/10/343746910.db2.gz GJTQYLJKYDXKQZ-UHFFFAOYSA-N 0 0 190.202 1.649 10 0 ADAERN CCc1nc(C=O)c2n1CC[C@@H](C)C2 107179699 343746935 /nfs/dbraw/zinc/74/69/35/343746935.db2.gz PQMASKKYFXCKLR-MRVPVSSYSA-N 0 0 192.262 1.840 10 0 ADAERN O=C1CCN([C@H]2CCSC2)CC1 107172750 343746941 /nfs/dbraw/zinc/74/69/41/343746941.db2.gz WYTFYYBIYFUYMH-QMMMGPOBSA-N 0 0 185.292 1.157 10 0 ADAERN O=C1CCN([C@@H]2CCCSC2)CC1 107189493 343747299 /nfs/dbraw/zinc/74/72/99/343747299.db2.gz YDIXBRMOTFTZSR-SECBINFHSA-N 0 0 199.319 1.547 10 0 ADAERN O=C([O-])C1(C[NH+]2CCCCC2)CCC1 107187730 343747339 /nfs/dbraw/zinc/74/73/39/343747339.db2.gz BWMMUXSPPOZHMO-UHFFFAOYSA-N 0 0 197.278 1.727 10 0 ADAERN O=C1CCN([C@H]2CCCSC2)CC1 107189490 343747496 /nfs/dbraw/zinc/74/74/96/343747496.db2.gz YDIXBRMOTFTZSR-VIFPVBQESA-N 0 0 199.319 1.547 10 0 ADAERN Cc1nc(N)cc(C2CCC2)n1 107221327 343747843 /nfs/dbraw/zinc/74/78/43/343747843.db2.gz ZXCQTMVDEQUFIE-UHFFFAOYSA-N 0 0 163.224 1.635 10 0 ADAERN Nc1cc(C2CCC2)ncn1 107218584 343747545 /nfs/dbraw/zinc/74/75/45/343747545.db2.gz KTTNHZLUPQZAEW-UHFFFAOYSA-N 0 0 149.197 1.326 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 107231644 343747874 /nfs/dbraw/zinc/74/78/74/343747874.db2.gz VYNUERKMJQJCHF-IUCAKERBSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H]1C[N@@H+](C2CC2)CC[C@@H]1C(=O)[O-] 107230594 343747882 /nfs/dbraw/zinc/74/78/82/343747882.db2.gz QQLJFBPGDUDDGY-CBAPKCEASA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 107231641 343748029 /nfs/dbraw/zinc/74/80/29/343748029.db2.gz VYNUERKMJQJCHF-BDAKNGLRSA-N 0 0 185.267 1.437 10 0 ADAERN Nc1cc(C2(C(F)(F)F)CC2)no1 107264247 343748549 /nfs/dbraw/zinc/74/85/49/343748549.db2.gz LGQULZKGOXFUGG-UHFFFAOYSA-N 0 0 192.140 1.851 10 0 ADAERN Nc1nc(C2CC2)nc2c1COCC2 107300109 343749254 /nfs/dbraw/zinc/74/92/54/343749254.db2.gz FNQUUYJOFFLNFP-UHFFFAOYSA-N 0 0 191.234 1.009 10 0 ADAERN C[C@H]1Cc2cccnc2C1=O 107397404 343749418 /nfs/dbraw/zinc/74/94/18/343749418.db2.gz UFPUBRGJKNJKCI-LURJTMIESA-N 0 0 147.177 1.457 10 0 ADAERN COC[C@H]1CNc2ccccc2C1 107336482 343749452 /nfs/dbraw/zinc/74/94/52/343749452.db2.gz BJRKFXBYUOBAEO-SECBINFHSA-N 0 0 177.247 1.917 10 0 ADAERN C[C@@H]1Cc2cccnc2C1=O 107397400 343749499 /nfs/dbraw/zinc/74/94/99/343749499.db2.gz UFPUBRGJKNJKCI-ZCFIWIBFSA-N 0 0 147.177 1.457 10 0 ADAERN Cc1c2c(nn1C)CC(C)(C)CC2=O 107423778 343749517 /nfs/dbraw/zinc/74/95/17/343749517.db2.gz XJAMTTVKIWPDEB-UHFFFAOYSA-N 0 0 192.262 1.884 10 0 ADAERN Cn1nc(C2CC2)c(Cl)c1N 107406521 343749668 /nfs/dbraw/zinc/74/96/68/343749668.db2.gz DBPNQRFUVIKOAV-UHFFFAOYSA-N 0 0 171.631 1.533 10 0 ADAERN CC1(C)Cc2cccnc2C1=O 107400678 343749755 /nfs/dbraw/zinc/74/97/55/343749755.db2.gz IGBFOYVWJKOFBT-UHFFFAOYSA-N 0 0 161.204 1.847 10 0 ADAERN COC[C@@H]1CNc2ccccc2C1 107336485 343749770 /nfs/dbraw/zinc/74/97/70/343749770.db2.gz BJRKFXBYUOBAEO-VIFPVBQESA-N 0 0 177.247 1.917 10 0 ADAERN CC(=O)c1ccnn1CC(F)(F)F 107353848 343749855 /nfs/dbraw/zinc/74/98/55/343749855.db2.gz OZJRFVRLVXKKIP-UHFFFAOYSA-N 0 0 192.140 1.648 10 0 ADAERN CCN(CC)c1cnc(N)c(C)c1 107846377 343749948 /nfs/dbraw/zinc/74/99/48/343749948.db2.gz AGRROYNUYSIYAT-UHFFFAOYSA-N 0 0 179.267 1.818 10 0 ADAERN C=C(C)[C@@H](C(=O)N(C)C)[C@@H](O)CCC 107502366 343749989 /nfs/dbraw/zinc/74/99/89/343749989.db2.gz WHTDIJRMZHQIKZ-VHSXEESVSA-N 0 0 199.294 1.428 10 0 ADAERN Cc1cccc2ccn(CCO)c12 107838078 343750051 /nfs/dbraw/zinc/75/00/51/343750051.db2.gz QSOQSYXPWAKOEU-UHFFFAOYSA-N 0 0 175.231 1.942 10 0 ADAERN CC1(C)CC(=O)Cc2ncncc21 107458842 343750095 /nfs/dbraw/zinc/75/00/95/343750095.db2.gz CIZBJAXQZQEHBY-UHFFFAOYSA-N 0 0 176.219 1.270 10 0 ADAERN CCN(CC)C(=O)Oc1ccccn1 107501167 343750120 /nfs/dbraw/zinc/75/01/20/343750120.db2.gz MHRXCBLPIQVVRE-UHFFFAOYSA-N 0 0 194.234 1.922 10 0 ADAERN Cc1cc(N(C)C)cnc1N 107846396 343750156 /nfs/dbraw/zinc/75/01/56/343750156.db2.gz FIKWNVBOWLSZHY-UHFFFAOYSA-N 0 0 151.213 1.038 10 0 ADAERN C=C(C)[C@H](C(=O)N(C)C)[C@@H](O)CCC 107502375 343750187 /nfs/dbraw/zinc/75/01/87/343750187.db2.gz WHTDIJRMZHQIKZ-UWVGGRQHSA-N 0 0 199.294 1.428 10 0 ADAERN Nc1cc(Cc2ccccc2)ncn1 107461090 343750238 /nfs/dbraw/zinc/75/02/38/343750238.db2.gz POLYZTNGEQHUBZ-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1cc(CCc2ccccc2)ncn1 107465558 343750273 /nfs/dbraw/zinc/75/02/73/343750273.db2.gz DXDRSPWCCJGNIC-UHFFFAOYSA-N 0 0 199.257 1.844 10 0 ADAERN Cc1cccc(Cc2cc(N)ncn2)c1 107465539 343750321 /nfs/dbraw/zinc/75/03/21/343750321.db2.gz CYGOMPMOVIEYBI-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN C=C(C)[C@@H](C(=O)N(C)C)[C@H](O)CCC 107502371 343750327 /nfs/dbraw/zinc/75/03/27/343750327.db2.gz WHTDIJRMZHQIKZ-NXEZZACHSA-N 0 0 199.294 1.428 10 0 ADAERN NC(=S)Cc1ccc(F)c(F)c1 107842092 343750356 /nfs/dbraw/zinc/75/03/56/343750356.db2.gz NTVXCBADJCEZED-UHFFFAOYSA-N 0 0 187.214 1.793 10 0 ADAERN C=C(C)[C@H](C(=O)N(C)C)[C@H](O)CCC 107502378 343750359 /nfs/dbraw/zinc/75/03/59/343750359.db2.gz WHTDIJRMZHQIKZ-ZJUUUORDSA-N 0 0 199.294 1.428 10 0 ADAERN NC1=CCN(C2CCCCC2)C1=O 108129157 343750706 /nfs/dbraw/zinc/75/07/06/343750706.db2.gz QQWJXIHNHBZKBX-UHFFFAOYSA-N 0 0 180.251 1.004 10 0 ADAERN OC[C@@H](F)C1CCCC1 108280490 343750953 /nfs/dbraw/zinc/75/09/53/343750953.db2.gz FMVBBOWOYABPMF-SSDOTTSWSA-N 0 0 132.178 1.507 10 0 ADAERN OC[C@H](F)C1CCCC1 108280494 343751112 /nfs/dbraw/zinc/75/11/12/343751112.db2.gz FMVBBOWOYABPMF-ZETCQYMHSA-N 0 0 132.178 1.507 10 0 ADAERN OC[C@@H](F)CC1CC1 108279941 343751062 /nfs/dbraw/zinc/75/10/62/343751062.db2.gz YCDNLJRQJNVUJB-LURJTMIESA-N 0 0 118.151 1.117 10 0 ADAERN OC[C@H](F)CC1CCC1 108280487 343751093 /nfs/dbraw/zinc/75/10/93/343751093.db2.gz JWNVESDADMENRY-SSDOTTSWSA-N 0 0 132.178 1.507 10 0 ADAERN OC[C@@H](F)CC1CCC1 108280483 343751104 /nfs/dbraw/zinc/75/11/04/343751104.db2.gz JWNVESDADMENRY-ZETCQYMHSA-N 0 0 132.178 1.507 10 0 ADAERN OC[C@H](F)CC1CCCC1 108281773 343751120 /nfs/dbraw/zinc/75/11/20/343751120.db2.gz AJBUQPXYIBSTLH-MRVPVSSYSA-N 0 0 146.205 1.897 10 0 ADAERN O=Cc1csc2c1CCOC2 108276071 343751126 /nfs/dbraw/zinc/75/11/26/343751126.db2.gz SXXOVAQLFXPFFC-UHFFFAOYSA-N 0 0 168.217 1.633 10 0 ADAERN OC[C@@H](F)CC1CCOCC1 108285028 343751171 /nfs/dbraw/zinc/75/11/71/343751171.db2.gz CCUMDYGOBYYFIP-QMMMGPOBSA-N 0 0 162.204 1.134 10 0 ADAERN OC[C@@H](F)CC1CCCC1 108281770 343751174 /nfs/dbraw/zinc/75/11/74/343751174.db2.gz AJBUQPXYIBSTLH-QMMMGPOBSA-N 0 0 146.205 1.897 10 0 ADAERN CC(C)C[C@H](F)CO 108279994 343751179 /nfs/dbraw/zinc/75/11/79/343751179.db2.gz ZFNTVJZUVCUSNP-LURJTMIESA-N 0 0 120.167 1.363 10 0 ADAERN OC[C@H](F)CC1CCOCC1 108285030 343751180 /nfs/dbraw/zinc/75/11/80/343751180.db2.gz CCUMDYGOBYYFIP-MRVPVSSYSA-N 0 0 162.204 1.134 10 0 ADAERN CC(C)C[C@@H](F)CO 108279997 343751267 /nfs/dbraw/zinc/75/12/67/343751267.db2.gz ZFNTVJZUVCUSNP-ZCFIWIBFSA-N 0 0 120.167 1.363 10 0 ADAERN OC[C@H](F)CC1CC1 108279943 343751321 /nfs/dbraw/zinc/75/13/21/343751321.db2.gz YCDNLJRQJNVUJB-ZCFIWIBFSA-N 0 0 118.151 1.117 10 0 ADAERN OC[C@@H](F)Cc1ccccc1 108282664 343751332 /nfs/dbraw/zinc/75/13/32/343751332.db2.gz UAAFQTVQTMUUNE-VIFPVBQESA-N 0 0 154.184 1.560 10 0 ADAERN OC[C@@H](F)C1CCCCC1 108281775 343751350 /nfs/dbraw/zinc/75/13/50/343751350.db2.gz COHAYBDUSGUGIO-MRVPVSSYSA-N 0 0 146.205 1.897 10 0 ADAERN C[C@H](O)CCn1cc(Cl)cn1 108290918 343751537 /nfs/dbraw/zinc/75/15/37/343751537.db2.gz BQSYBCSCIWHUOE-LURJTMIESA-N 0 0 174.631 1.307 10 0 ADAERN Nc1n[nH]c2ncc3c(c12)CCC3 108290783 343751896 /nfs/dbraw/zinc/75/18/96/343751896.db2.gz MUBICTLYQXUKAZ-UHFFFAOYSA-N 0 0 174.207 1.029 10 0 ADAERN CC(C)n1c(=O)[nH]c2ccc(N)cc21 108301310 343751937 /nfs/dbraw/zinc/75/19/37/343751937.db2.gz ASNGNRRRYHTGLW-UHFFFAOYSA-N 0 0 191.234 1.905 10 0 ADAERN O=c1cc(C2CCC2)[nH]c(=O)[nH]1 108332136 343752129 /nfs/dbraw/zinc/75/21/29/343752129.db2.gz PWMYYKWWKIBHBD-UHFFFAOYSA-N 0 0 166.180 1.155 10 0 ADAERN O=Cc1cccc2sc(=O)oc12 108369473 343752815 /nfs/dbraw/zinc/75/28/15/343752815.db2.gz BIVBJMDCIBRKBU-UHFFFAOYSA-N 0 0 180.184 1.667 10 0 ADAERN COc1cc2c(cc1C(C)=O)OCO2 108373681 343752869 /nfs/dbraw/zinc/75/28/69/343752869.db2.gz ZFKHDTVOBCKVHU-UHFFFAOYSA-N 0 0 194.186 1.627 10 0 ADAERN CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1 109057451 343753275 /nfs/dbraw/zinc/75/32/75/343753275.db2.gz CLCNMFCXSBNWMZ-GHMZBOCLSA-N 0 0 189.258 1.878 10 0 ADAERN CC(C)(C)C1CC(=O)CC(=O)C1 110287338 343753301 /nfs/dbraw/zinc/75/33/01/343753301.db2.gz UODQIYOHASHZDQ-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 109057453 343753311 /nfs/dbraw/zinc/75/33/11/343753311.db2.gz CLCNMFCXSBNWMZ-MNOVXSKESA-N 0 0 189.258 1.878 10 0 ADAERN CN(C)C(=O)[C@H]1C[C@H]1c1ccccc1 109057457 343753326 /nfs/dbraw/zinc/75/33/26/343753326.db2.gz CLCNMFCXSBNWMZ-QWRGUYRKSA-N 0 0 189.258 1.878 10 0 ADAERN CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 109057455 343753333 /nfs/dbraw/zinc/75/33/33/343753333.db2.gz CLCNMFCXSBNWMZ-WDEREUQCSA-N 0 0 189.258 1.878 10 0 ADAERN Cc1cc(-c2c(C)[nH]oc2=O)on1 110507365 343753769 /nfs/dbraw/zinc/75/37/69/343753769.db2.gz XVQDGVDNOXDOME-UHFFFAOYSA-N 0 0 180.163 1.240 10 0 ADAERN C/C=C/C1CC1 111335342 343754235 /nfs/dbraw/zinc/75/42/35/343754235.db2.gz TWAJIXJFYMNJJO-NSCUHMNNSA-N 0 0 82.146 1.973 10 0 ADAERN C/C=C(\CC)OC 111343531 343754347 /nfs/dbraw/zinc/75/43/47/343754347.db2.gz SDCXDHFQQVVBEN-GQCTYLIASA-N 0 0 100.161 1.947 10 0 ADAERN O=C1COC(=O)N1C1CCCCC1 111933790 343754785 /nfs/dbraw/zinc/75/47/85/343754785.db2.gz VWLDAFXUYLBYIS-UHFFFAOYSA-N 0 0 183.207 1.298 10 0 ADAERN CC(C)[C@H]1CCCC[C@H]1NC(N)=O 112677448 343755502 /nfs/dbraw/zinc/75/55/02/343755502.db2.gz TVUVIIGKEHFDHC-RKDXNWHRSA-N 0 0 184.283 1.870 10 0 ADAERN CC(C)[C@@H]1CCCC[C@H]1NC(N)=O 112677446 343755607 /nfs/dbraw/zinc/75/56/07/343755607.db2.gz TVUVIIGKEHFDHC-DTWKUNHWSA-N 0 0 184.283 1.870 10 0 ADAERN CO[C@H](C)C(=O)NCC1CCCCC1 112933964 343755924 /nfs/dbraw/zinc/75/59/24/343755924.db2.gz DOKOSSAKNMBMLU-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN C1=CN=NN=NN=C1 112924546 343756005 /nfs/dbraw/zinc/75/60/05/343756005.db2.gz URWXJEHYXOTXBD-UHFFFAOYSA-N 0 0 109.092 1.319 10 0 ADAERN O=C1CCCN1CC[NH+]1CCCCC1 112942613 343756156 /nfs/dbraw/zinc/75/61/56/343756156.db2.gz HAXAJOCTGBYOKG-UHFFFAOYSA-N 0 0 196.294 1.095 10 0 ADAERN [CH2]C[NH+](CC)CC 112977393 343756166 /nfs/dbraw/zinc/75/61/66/343756166.db2.gz MZVQCMJNVPIDEA-UHFFFAOYSA-N 0 0 100.185 1.162 10 0 ADAERN CCOCC1(C(=O)OC)CCCC1 112953279 343756195 /nfs/dbraw/zinc/75/61/95/343756195.db2.gz JSRNSFSWNYFESM-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CC(=O)OC1=CCC1 112966094 343756198 /nfs/dbraw/zinc/75/61/98/343756198.db2.gz VOLSCWDWGMWXGO-UHFFFAOYSA-N 0 0 112.128 1.227 10 0 ADAERN [CH2]C[NH+]1CCCCC1 112927624 343756201 /nfs/dbraw/zinc/75/62/01/343756201.db2.gz LIOXJNMGGLHAJC-UHFFFAOYSA-N 0 0 112.196 1.306 10 0 ADAERN CO[C@@H](C)C(=O)NCC1CCCCC1 112933963 343756215 /nfs/dbraw/zinc/75/62/15/343756215.db2.gz DOKOSSAKNMBMLU-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CCc1cccc(/C=C\C(N)=O)c1 112989340 343756519 /nfs/dbraw/zinc/75/65/19/343756519.db2.gz XDYPQTVSXOGPOD-SREVYHEPSA-N 0 0 175.231 1.748 10 0 ADAERN CCc1cccc(/C=C/C(N)=O)c1 112989338 343756578 /nfs/dbraw/zinc/75/65/78/343756578.db2.gz XDYPQTVSXOGPOD-VOTSOKGWSA-N 0 0 175.231 1.748 10 0 ADAERN NC(=O)C1(c2cccnc2)CCCC1 113096327 343756591 /nfs/dbraw/zinc/75/65/91/343756591.db2.gz DCYNQSBZVCLFSE-UHFFFAOYSA-N 0 0 190.246 1.379 10 0 ADAERN CCOC(=O)C1=CCC1 112988455 343756605 /nfs/dbraw/zinc/75/66/05/343756605.db2.gz DKKIUDLHMPRWBE-UHFFFAOYSA-N 0 0 126.155 1.270 10 0 ADAERN CC(C)(C)c1nnc(C(C)(C)C)nn1 112995295 343756664 /nfs/dbraw/zinc/75/66/64/343756664.db2.gz BVARMSJELYFCRL-UHFFFAOYSA-N 0 0 194.282 1.862 10 0 ADAERN CCc1noc(C(C)(C)C)n1 113102364 343756698 /nfs/dbraw/zinc/75/66/98/343756698.db2.gz CZRJXSZTCQGVTC-UHFFFAOYSA-N 0 0 154.213 1.930 10 0 ADAERN NC1=CCCC1 112997523 343756733 /nfs/dbraw/zinc/75/67/33/343756733.db2.gz OQGVPWWLCUMRCI-UHFFFAOYSA-N 0 0 83.134 1.013 10 0 ADAERN CCc1cnc2c(c1)CCN2 113101868 343756747 /nfs/dbraw/zinc/75/67/47/343756747.db2.gz ALURSZZBJGOVBI-UHFFFAOYSA-N 0 0 148.209 1.612 10 0 ADAERN CNc1cccc(N2CCOCC2)c1 113142172 343757143 /nfs/dbraw/zinc/75/71/43/343757143.db2.gz MMXWMHKUMGONPM-UHFFFAOYSA-N 0 0 192.262 1.565 10 0 ADAERN COC(=O)[C@H]1CC[C@H](OC)CC1 113142613 343757181 /nfs/dbraw/zinc/75/71/81/343757181.db2.gz GPABZOTWBDPXNZ-OCAPTIKFSA-N 0 0 172.224 1.365 10 0 ADAERN c1ccc(-c2cnc3cnccn23)nc1 113142341 343757193 /nfs/dbraw/zinc/75/71/93/343757193.db2.gz CEPBYDDOLAPNJU-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN COC(=O)c1ccc(OC(C)C)cn1 113237163 343757517 /nfs/dbraw/zinc/75/75/17/343757517.db2.gz KPYPEDYOFOKHIG-UHFFFAOYSA-N 0 0 195.218 1.655 10 0 ADAERN Cc1cc([C@H](C)O)ccc1O 113249595 343757577 /nfs/dbraw/zinc/75/75/77/343757577.db2.gz AVIMWAGZIFMDBT-ZETCQYMHSA-N 0 0 152.193 1.754 10 0 ADAERN CCc1nc(C)cn1[C@H](C)C#N 113215661 343757591 /nfs/dbraw/zinc/75/75/91/343757591.db2.gz JJJIHUKWJSHBFD-MRVPVSSYSA-N 0 0 163.224 1.839 10 0 ADAERN CCc1nc(C)cn1[C@@H](C)C#N 113215658 343757631 /nfs/dbraw/zinc/75/76/31/343757631.db2.gz JJJIHUKWJSHBFD-QMMMGPOBSA-N 0 0 163.224 1.839 10 0 ADAERN C(SC[C@@H]1CS1)[C@@H]1CS1 113249277 343757642 /nfs/dbraw/zinc/75/76/42/343757642.db2.gz MLGITEWCALEOOJ-PHDIDXHHSA-N 0 0 178.347 1.950 10 0 ADAERN C(SC[C@@H]1CS1)[C@H]1CS1 113249278 343757656 /nfs/dbraw/zinc/75/76/56/343757656.db2.gz MLGITEWCALEOOJ-OLQVQODUSA-N 0 0 178.347 1.950 10 0 ADAERN Cc1cc([C@@H](C)O)ccc1O 113249593 343757670 /nfs/dbraw/zinc/75/76/70/343757670.db2.gz AVIMWAGZIFMDBT-SSDOTTSWSA-N 0 0 152.193 1.754 10 0 ADAERN C(SC[C@H]1CS1)[C@H]1CS1 113249281 343757705 /nfs/dbraw/zinc/75/77/05/343757705.db2.gz MLGITEWCALEOOJ-WDSKDSINSA-N 0 0 178.347 1.950 10 0 ADAERN COc1cc(CO)ccc1CCCO 113209277 343757716 /nfs/dbraw/zinc/75/77/16/343757716.db2.gz DBXKTZPDVHPWBX-UHFFFAOYSA-N 0 0 196.246 1.112 10 0 ADAERN CCc1cc(N)ccc1N(C)C 113214483 343757718 /nfs/dbraw/zinc/75/77/18/343757718.db2.gz JNAQHPVJCUVTED-UHFFFAOYSA-N 0 0 164.252 1.897 10 0 ADAERN CCOC(=O)C1(CSC)CC1 113231504 343757789 /nfs/dbraw/zinc/75/77/89/343757789.db2.gz BEIKQPGSFJAROZ-UHFFFAOYSA-N 0 0 174.265 1.693 10 0 ADAERN CCCOCCCCCCO 113290541 343758094 /nfs/dbraw/zinc/75/80/94/343758094.db2.gz CXOHZQDMLUIQEE-UHFFFAOYSA-N 0 0 160.257 1.966 10 0 ADAERN CCCC(=O)N(C)[C@H]1CCOC1 113315088 343758167 /nfs/dbraw/zinc/75/81/67/343758167.db2.gz QPLKEMJPRKDFRO-QMMMGPOBSA-N 0 0 171.240 1.034 10 0 ADAERN CN(C(=O)c1ccco1)[C@H]1CCOC1 113314925 343758189 /nfs/dbraw/zinc/75/81/89/343758189.db2.gz LZBAQOJJSUFDBD-QMMMGPOBSA-N 0 0 195.218 1.141 10 0 ADAERN CC[N@H+](Cc1ccoc1)CC(C)(C)O 113267172 343758203 /nfs/dbraw/zinc/75/82/03/343758203.db2.gz AYDDAWUKKREUOX-UHFFFAOYSA-N 0 0 197.278 1.872 10 0 ADAERN COc1ncccc1OC(F)F 113277690 343758235 /nfs/dbraw/zinc/75/82/35/343758235.db2.gz RTVNNDXQNVVSRF-UHFFFAOYSA-N 0 0 175.134 1.692 10 0 ADAERN O=c1[nH]cccc1OC(F)F 113278918 343758242 /nfs/dbraw/zinc/75/82/42/343758242.db2.gz UHICRVMXDURUGI-UHFFFAOYSA-N 0 0 161.107 1.389 10 0 ADAERN CN(C(=O)c1ccco1)[C@@H]1CCOC1 113314922 343758257 /nfs/dbraw/zinc/75/82/57/343758257.db2.gz LZBAQOJJSUFDBD-MRVPVSSYSA-N 0 0 195.218 1.141 10 0 ADAERN c1nc2[nH]ncc2s1 113324111 343758279 /nfs/dbraw/zinc/75/82/79/343758279.db2.gz LLKAAPMRHULVSQ-UHFFFAOYSA-N 0 0 125.156 1.019 10 0 ADAERN CCCC(=O)N(C)[C@@H]1CCOC1 113315086 343758356 /nfs/dbraw/zinc/75/83/56/343758356.db2.gz QPLKEMJPRKDFRO-MRVPVSSYSA-N 0 0 171.240 1.034 10 0 ADAERN CCCCO[C@H](C)OC[C@@H](C)O 113357018 343758728 /nfs/dbraw/zinc/75/87/28/343758728.db2.gz RVDGRBNREJFKHO-BDAKNGLRSA-N 0 0 176.256 1.547 10 0 ADAERN C[C@H](O)[C@@H](O)c1ccccc1F 113397351 343758612 /nfs/dbraw/zinc/75/86/12/343758612.db2.gz ZBCGRRLGXMTHGN-IMTBSYHQSA-N 0 0 170.183 1.240 10 0 ADAERN C[C@@H](O)[C@H](O)c1ccccc1Cl 113401647 343758614 /nfs/dbraw/zinc/75/86/14/343758614.db2.gz VMBILFRHBQVTOS-MUWHJKNJSA-N 0 0 186.638 1.754 10 0 ADAERN C[C@H](O)[C@@H](O)c1ccccc1Cl 113401643 343758643 /nfs/dbraw/zinc/75/86/43/343758643.db2.gz VMBILFRHBQVTOS-IMTBSYHQSA-N 0 0 186.638 1.754 10 0 ADAERN CCCCO[C@@H](C)OC[C@@H](C)O 113357016 343758661 /nfs/dbraw/zinc/75/86/61/343758661.db2.gz RVDGRBNREJFKHO-RKDXNWHRSA-N 0 0 176.256 1.547 10 0 ADAERN C[C@@H](O)[C@H](O)c1ccccc1F 113397344 343758671 /nfs/dbraw/zinc/75/86/71/343758671.db2.gz ZBCGRRLGXMTHGN-MUWHJKNJSA-N 0 0 170.183 1.240 10 0 ADAERN CC(C)OC(=O)N[C@H]1C[C@H]1C 127272030 343809199 /nfs/dbraw/zinc/80/91/99/343809199.db2.gz JCLHFSVWSJOMII-RQJHMYQMSA-N 0 0 157.213 1.529 10 0 ADAERN [O-][n+]1ccc2c(Cl)ccnc2c1 113382651 343758695 /nfs/dbraw/zinc/75/86/95/343758695.db2.gz YUBUAYUCIODBAT-UHFFFAOYSA-N 0 0 180.594 1.522 10 0 ADAERN O=S(=O)(CC(F)F)C(F)(F)F 113409762 343758720 /nfs/dbraw/zinc/75/87/20/343758720.db2.gz ZKGWMAJXTYJWJR-UHFFFAOYSA-N 0 0 198.112 1.186 10 0 ADAERN C[C@@H](O)[C@@H](O)c1ccccc1Cl 113401639 343758773 /nfs/dbraw/zinc/75/87/73/343758773.db2.gz VMBILFRHBQVTOS-HZGVNTEJSA-N 0 0 186.638 1.754 10 0 ADAERN CCCCO[C@H](C)OC[C@H](C)O 113357021 343758803 /nfs/dbraw/zinc/75/88/03/343758803.db2.gz RVDGRBNREJFKHO-IUCAKERBSA-N 0 0 176.256 1.547 10 0 ADAERN Cc1cccc2c1nnn2C 113411166 343758810 /nfs/dbraw/zinc/75/88/10/343758810.db2.gz KBECZMHXXBSRML-UHFFFAOYSA-N 0 0 147.181 1.277 10 0 ADAERN [O-][n+]1ccc2c(Cl)nccc2c1 113381057 343758847 /nfs/dbraw/zinc/75/88/47/343758847.db2.gz TXUSTHPMDQZZLQ-UHFFFAOYSA-N 0 0 180.594 1.522 10 0 ADAERN NC(=O)Nc1cccc2[nH]ccc12 113415591 343758914 /nfs/dbraw/zinc/75/89/14/343758914.db2.gz BTUIPRZDGBSTRV-UHFFFAOYSA-N 0 0 175.191 1.659 10 0 ADAERN OCCc1c(Cl)cncc1Cl 113491621 343759148 /nfs/dbraw/zinc/75/91/48/343759148.db2.gz DJHKYHVQWUQOQH-UHFFFAOYSA-N 0 0 192.045 1.923 10 0 ADAERN OCc1cccc2c1CC[C@@H]2CO 113514989 343759139 /nfs/dbraw/zinc/75/91/39/343759139.db2.gz CNMMWOVWXCHBHJ-SECBINFHSA-N 0 0 178.231 1.201 10 0 ADAERN COc1ccc(C(C)=O)c(N)c1F 113546115 343759156 /nfs/dbraw/zinc/75/91/56/343759156.db2.gz XGTXVYMITPKDGB-UHFFFAOYSA-N 0 0 183.182 1.619 10 0 ADAERN COC(=O)C[C@@H]1CC[C@@H](OC)C1 113568086 343759236 /nfs/dbraw/zinc/75/92/36/343759236.db2.gz SDQHOPPJCZBQRF-HTQZYQBOSA-N 0 0 172.224 1.365 10 0 ADAERN CNC(=O)c1csc(Cl)n1 113519136 343759331 /nfs/dbraw/zinc/75/93/31/343759331.db2.gz FVGMXXANGSYKHD-UHFFFAOYSA-N 0 0 176.628 1.156 10 0 ADAERN CC(C)CP 113525274 343759340 /nfs/dbraw/zinc/75/93/40/343759340.db2.gz TXBIZRLVIDXDGB-UHFFFAOYSA-N 0 0 90.106 1.518 10 0 ADAERN OCc1cccc2c1CC[C@H]2CO 113514988 343759400 /nfs/dbraw/zinc/75/94/00/343759400.db2.gz CNMMWOVWXCHBHJ-VIFPVBQESA-N 0 0 178.231 1.201 10 0 ADAERN OC1(CCO[C@@H]2CCCCO2)CC1 113687838 343759657 /nfs/dbraw/zinc/75/96/57/343759657.db2.gz HKQNJAGCCRDEPA-SECBINFHSA-N 0 0 186.251 1.445 10 0 ADAERN CCc1ncc(CO)cc1Cl 113607603 343759730 /nfs/dbraw/zinc/75/97/30/343759730.db2.gz RZUDQAVWPJLVBE-UHFFFAOYSA-N 0 0 171.627 1.790 10 0 ADAERN CC(C)([NH3+])CCCCC(=O)[O-] 113634867 343759847 /nfs/dbraw/zinc/75/98/47/343759847.db2.gz OAOBXFAAGZNFOD-UHFFFAOYSA-N 0 0 159.229 1.369 10 0 ADAERN NC(=O)c1ccc2c(c1O)CCCC2 113674561 343759917 /nfs/dbraw/zinc/75/99/17/343759917.db2.gz HGIACFSIHQEXKZ-UHFFFAOYSA-N 0 0 191.230 1.370 10 0 ADAERN O=Cc1ccc2[nH]c(CCO)cc2c1 113693467 343759942 /nfs/dbraw/zinc/75/99/42/343759942.db2.gz MFXHYBWNAALUSJ-UHFFFAOYSA-N 0 0 189.214 1.515 10 0 ADAERN OC1(CCO[C@H]2CCCCO2)CC1 113687841 343759969 /nfs/dbraw/zinc/75/99/69/343759969.db2.gz HKQNJAGCCRDEPA-VIFPVBQESA-N 0 0 186.251 1.445 10 0 ADAERN COCc1cc(F)ccc1C(=O)OC 113663308 343760021 /nfs/dbraw/zinc/76/00/21/343760021.db2.gz JAUDYYXLZJUKOU-UHFFFAOYSA-N 0 0 198.193 1.759 10 0 ADAERN Cc1cc(=NN)[nH]c2ncccc12 113685764 343760040 /nfs/dbraw/zinc/76/00/40/343760040.db2.gz ZXLSQNBMZRSRJC-UHFFFAOYSA-N 0 0 174.207 1.224 10 0 ADAERN Cc1nnn(Cc2ccccc2)c1C 113827620 343760259 /nfs/dbraw/zinc/76/02/59/343760259.db2.gz NZXLQEOIQOAASS-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN CSc1cnc(Cl)cn1 113800135 343760264 /nfs/dbraw/zinc/76/02/64/343760264.db2.gz SKJOCDFMYYOPQI-UHFFFAOYSA-N 0 0 160.629 1.852 10 0 ADAERN Nc1ccc(Nc2ccccc2)nn1 113825581 343760324 /nfs/dbraw/zinc/76/03/24/343760324.db2.gz LDPYGFJKSVASMG-UHFFFAOYSA-N 0 0 186.218 1.802 10 0 ADAERN O=C1COC[C@@H](C2CCCCC2)N1 113817429 343760409 /nfs/dbraw/zinc/76/04/09/343760409.db2.gz DAJWSYDQLKSMNK-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN Cc1ccc(N)c(N)c1F 113756013 343760436 /nfs/dbraw/zinc/76/04/36/343760436.db2.gz NNGOCAOFHLEGDW-UHFFFAOYSA-N 0 0 140.161 1.299 10 0 ADAERN COC(=O)c1cncc(C(C)(C)O)c1 113821056 343760510 /nfs/dbraw/zinc/76/05/10/343760510.db2.gz UPVZUVYISQEBGY-UHFFFAOYSA-N 0 0 195.218 1.096 10 0 ADAERN Cc1cn(-c2ncc(C=O)s2)cn1 113819889 343760575 /nfs/dbraw/zinc/76/05/75/343760575.db2.gz POVRJUDHQUIBST-UHFFFAOYSA-N 0 0 193.231 1.450 10 0 ADAERN Cc1cc(N)cc2oc(=O)[nH]c12 114010328 343760740 /nfs/dbraw/zinc/76/07/40/343760740.db2.gz QJBYZRAMNCZGLK-UHFFFAOYSA-N 0 0 164.164 1.012 10 0 ADAERN CC[C@H](c1ccccc1)[C@@H]([NH3+])C(=O)[O-] 113966638 343760801 /nfs/dbraw/zinc/76/08/01/343760801.db2.gz VGHSTKSUXOSXQU-NXEZZACHSA-N 0 0 193.246 1.592 10 0 ADAERN C=CCc1nccs1 113883389 343760813 /nfs/dbraw/zinc/76/08/13/343760813.db2.gz WJYMYWOMVFAAOD-UHFFFAOYSA-N 0 0 125.196 1.872 10 0 ADAERN C[C@H]1CCCOC(=O)C1 114017294 343760830 /nfs/dbraw/zinc/76/08/30/343760830.db2.gz CHXLFXLPKLZALY-LURJTMIESA-N 0 0 128.171 1.350 10 0 ADAERN CC[C@@H](c1ccccc1)[C@@H]([NH3+])C(=O)[O-] 113966640 343760905 /nfs/dbraw/zinc/76/09/05/343760905.db2.gz VGHSTKSUXOSXQU-VHSXEESVSA-N 0 0 193.246 1.592 10 0 ADAERN CC[C@@H](c1ccccc1)[C@H]([NH3+])C(=O)[O-] 113966643 343760919 /nfs/dbraw/zinc/76/09/19/343760919.db2.gz VGHSTKSUXOSXQU-UWVGGRQHSA-N 0 0 193.246 1.592 10 0 ADAERN OCC[C@H]1C=CCC1 113901874 343760935 /nfs/dbraw/zinc/76/09/35/343760935.db2.gz DNITZIKVBPIDEY-ZETCQYMHSA-N 0 0 112.172 1.335 10 0 ADAERN C[C@@H]1CCCOC(=O)C1 114017292 343760947 /nfs/dbraw/zinc/76/09/47/343760947.db2.gz CHXLFXLPKLZALY-ZCFIWIBFSA-N 0 0 128.171 1.350 10 0 ADAERN Cc1cc(Cl)c(N)c(CO)c1 127598068 343814574 /nfs/dbraw/zinc/81/45/74/343814574.db2.gz ZQIKWDGVYKSMAD-UHFFFAOYSA-N 0 0 171.627 1.723 10 0 ADAERN CC(C)(C)OC(=O)N1C(=O)C[C@@H]2C[C@@H]21 114054816 343761267 /nfs/dbraw/zinc/76/12/67/343761267.db2.gz APRHZCZIWPERLL-BQBZGAKWSA-N 0 0 197.234 1.542 10 0 ADAERN CCOC(=O)/C=C\c1cncnc1 114096062 343761414 /nfs/dbraw/zinc/76/14/14/343761414.db2.gz XOGWCENJCSUMFM-ARJAWSKDSA-N 0 0 178.191 1.053 10 0 ADAERN CC1(C)OC[C@@H](C/C=C/CO)O1 114168695 343761436 /nfs/dbraw/zinc/76/14/36/343761436.db2.gz QYHPKPLMNVPMTJ-MPJRPATESA-N 0 0 172.224 1.077 10 0 ADAERN CC[C@@H]1C[C@H](C)C(=O)O1 114133187 343761442 /nfs/dbraw/zinc/76/14/42/343761442.db2.gz YTALMPUNNICJOM-NTSWFWBYSA-N 0 0 128.171 1.348 10 0 ADAERN CCC(N=O)(C(C)=O)C(C)=O 114076896 343761460 /nfs/dbraw/zinc/76/14/60/343761460.db2.gz KNEMXDWPFUOAME-UHFFFAOYSA-N 0 0 157.169 1.080 10 0 ADAERN CC1(C)OC[C@H](C/C=C/CO)O1 114168700 343761515 /nfs/dbraw/zinc/76/15/15/343761515.db2.gz QYHPKPLMNVPMTJ-RTMURIBGSA-N 0 0 172.224 1.077 10 0 ADAERN Cc1ccc2c(n1)C(=O)CCC2 114026004 343761538 /nfs/dbraw/zinc/76/15/38/343761538.db2.gz OUTVYOSBTJSILH-UHFFFAOYSA-N 0 0 161.204 1.909 10 0 ADAERN Cc1cc2cc(CO)ccc2n1C 114078197 343761547 /nfs/dbraw/zinc/76/15/47/343761547.db2.gz FZZLLKXVKDNIMA-UHFFFAOYSA-N 0 0 175.231 1.979 10 0 ADAERN O=Cc1nn(C(F)F)cc1Cl 114109769 343761602 /nfs/dbraw/zinc/76/16/02/343761602.db2.gz OEBLVCRTUVCJQX-UHFFFAOYSA-N 0 0 180.541 1.744 10 0 ADAERN C/C=C(\CC)OC(C)=O 114039553 343761630 /nfs/dbraw/zinc/76/16/30/343761630.db2.gz GCZZMHHPTUKDQE-QPJJXVBHSA-N 0 0 128.171 1.863 10 0 ADAERN OCc1cnnc2ccccc12 114288413 343761851 /nfs/dbraw/zinc/76/18/51/343761851.db2.gz XATQUSHJEVFFLF-UHFFFAOYSA-N 0 0 160.176 1.122 10 0 ADAERN Oc1ccc([C@H]2CCOC2)c(O)c1 114229346 343761920 /nfs/dbraw/zinc/76/19/20/343761920.db2.gz FUKQOJUXJRTDBH-ZETCQYMHSA-N 0 0 180.203 1.602 10 0 ADAERN C=Cc1nc(C)ccc1C(=O)OC 114206827 343761936 /nfs/dbraw/zinc/76/19/36/343761936.db2.gz YTSYUHLCGQFHCC-UHFFFAOYSA-N 0 0 177.203 1.820 10 0 ADAERN O=C1CCC(Oc2ccccn2)CC1 114273647 343761939 /nfs/dbraw/zinc/76/19/39/343761939.db2.gz OSFDJZOEXBIMLZ-UHFFFAOYSA-N 0 0 191.230 1.972 10 0 ADAERN Oc1ccc([C@@H]2CCCOC2)c(O)c1 114226581 343762123 /nfs/dbraw/zinc/76/21/23/343762123.db2.gz LNUWONFHSWUIFQ-MRVPVSSYSA-N 0 0 194.230 1.992 10 0 ADAERN COC(=O)c1cc(-c2ccoc2)[nH]n1 114302254 343762164 /nfs/dbraw/zinc/76/21/64/343762164.db2.gz MBEARPMOTXDBLF-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN Oc1ccc([C@H]2CCCOC2)c(O)c1 114226583 343762176 /nfs/dbraw/zinc/76/21/76/343762176.db2.gz LNUWONFHSWUIFQ-QMMMGPOBSA-N 0 0 194.230 1.992 10 0 ADAERN O=C1CCC(Oc2cccnn2)CC1 114274888 343762180 /nfs/dbraw/zinc/76/21/80/343762180.db2.gz ORLCRMQWXUXDJV-UHFFFAOYSA-N 0 0 192.218 1.367 10 0 ADAERN Oc1ccc([C@@H]2CCOC2)c(O)c1 114229345 343762270 /nfs/dbraw/zinc/76/22/70/343762270.db2.gz FUKQOJUXJRTDBH-SSDOTTSWSA-N 0 0 180.203 1.602 10 0 ADAERN CC1(C)COc2ccc(N)cc2N1 114323624 343762585 /nfs/dbraw/zinc/76/25/85/343762585.db2.gz PXUWQIVHJPWURJ-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN C=Cc1ccc(O)c(C(=O)OC)c1 114395419 343762658 /nfs/dbraw/zinc/76/26/58/343762658.db2.gz RXYCHMKJZDTXEM-UHFFFAOYSA-N 0 0 178.187 1.822 10 0 ADAERN CCOCc1cc(N)n(C(C)C)n1 114406852 343762712 /nfs/dbraw/zinc/76/27/12/343762712.db2.gz YFTRKJJDFADKDJ-UHFFFAOYSA-N 0 0 183.255 1.583 10 0 ADAERN Cc1cc[n+]([O-])c(C)c1C 114349197 343762716 /nfs/dbraw/zinc/76/27/16/343762716.db2.gz PEHKTOCKDMQSSS-UHFFFAOYSA-N 0 0 137.182 1.245 10 0 ADAERN CCOCc1cc(N)n(CC)n1 114407122 343762870 /nfs/dbraw/zinc/76/28/70/343762870.db2.gz GUQIBZZCRUXCRX-UHFFFAOYSA-N 0 0 169.228 1.022 10 0 ADAERN NC(=O)c1ccc(Cl)c(N)c1F 114357876 343762886 /nfs/dbraw/zinc/76/28/86/343762886.db2.gz PMMPBWBZKISTRS-UHFFFAOYSA-N 0 0 188.589 1.160 10 0 ADAERN CCc1ccnc(OC)c1 114626785 343763609 /nfs/dbraw/zinc/76/36/09/343763609.db2.gz WRCXUEGUIBZSPM-UHFFFAOYSA-N 0 0 137.182 1.653 10 0 ADAERN CCNC(=O)[C@H]1C[C@H]1C(C)C 114614788 343763680 /nfs/dbraw/zinc/76/36/80/343763680.db2.gz XKOVXTSSWMAOPG-YUMQZZPRSA-N 0 0 155.241 1.415 10 0 ADAERN Cc1cc(Cl)cnn1 114620279 343763689 /nfs/dbraw/zinc/76/36/89/343763689.db2.gz AJXZXNHHPNJZFO-UHFFFAOYSA-N 0 0 128.562 1.438 10 0 ADAERN CCNC(=O)[C@@H]1C[C@@H]1C(C)C 114614783 343763720 /nfs/dbraw/zinc/76/37/20/343763720.db2.gz XKOVXTSSWMAOPG-HTQZYQBOSA-N 0 0 155.241 1.415 10 0 ADAERN CCNC(=O)[C@H]1C[C@@H]1C(C)C 114614785 343763780 /nfs/dbraw/zinc/76/37/80/343763780.db2.gz XKOVXTSSWMAOPG-SFYZADRCSA-N 0 0 155.241 1.415 10 0 ADAERN CC(=O)N[C@@H](C(C)C)C(F)(F)F 114619034 343763852 /nfs/dbraw/zinc/76/38/52/343763852.db2.gz KSYXQURBBIJCGO-LURJTMIESA-N 0 0 183.173 1.709 10 0 ADAERN CCNC(=O)[C@@H]1C[C@H]1C(C)C 114614786 343763856 /nfs/dbraw/zinc/76/38/56/343763856.db2.gz XKOVXTSSWMAOPG-JGVFFNPUSA-N 0 0 155.241 1.415 10 0 ADAERN CCc1nccc(Cl)c1CO 114696517 343764021 /nfs/dbraw/zinc/76/40/21/343764021.db2.gz QPHGLQRTNIGQME-UHFFFAOYSA-N 0 0 171.627 1.790 10 0 ADAERN CC(C)C(=O)[C@H](O)c1ccccc1 114786462 343764046 /nfs/dbraw/zinc/76/40/46/343764046.db2.gz WYTPKWXHHZJJPY-LLVKDONJSA-N 0 0 178.231 1.945 10 0 ADAERN OCCC[C@@H](O)Cc1ccccc1 114749797 343764403 /nfs/dbraw/zinc/76/44/03/343764403.db2.gz SVZPBLXSRVVZCW-LLVKDONJSA-N 0 0 180.247 1.363 10 0 ADAERN COC(=O)C(F)(F)[C@@H](O)CC(C)C 114793913 343764244 /nfs/dbraw/zinc/76/42/44/343764244.db2.gz WVMSTHSMQCWYGV-LURJTMIESA-N 0 0 196.193 1.202 10 0 ADAERN NC(=O)c1ccoc1C(F)(F)F 114794459 343764342 /nfs/dbraw/zinc/76/43/42/343764342.db2.gz GLHCZBPCDXQXPY-UHFFFAOYSA-N 0 0 179.097 1.397 10 0 ADAERN O[C@@H]1OC[C@@H]2CCCC[C@H]21 114761932 343764349 /nfs/dbraw/zinc/76/43/49/343764349.db2.gz SBIFXVKAYSOREW-XLPZGREQSA-N 0 0 142.198 1.141 10 0 ADAERN COC(=O)C(F)(F)[C@H](O)CC(C)C 114793915 343764423 /nfs/dbraw/zinc/76/44/23/343764423.db2.gz WVMSTHSMQCWYGV-ZCFIWIBFSA-N 0 0 196.193 1.202 10 0 ADAERN C=Cc1ccc(C(=O)OC)cn1 114699214 343764439 /nfs/dbraw/zinc/76/44/39/343764439.db2.gz VQJJMPPJQLKXFJ-UHFFFAOYSA-N 0 0 163.176 1.511 10 0 ADAERN Oc1ccc(-c2ccncc2F)nc1 114815116 343764775 /nfs/dbraw/zinc/76/47/75/343764775.db2.gz LBGNAGATQGHENE-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN CCCOC(=O)C(=O)CCC 114827147 343764858 /nfs/dbraw/zinc/76/48/58/343764858.db2.gz SEUHUJGEDLHUJU-UHFFFAOYSA-N 0 0 158.197 1.309 10 0 ADAERN CNC(=O)N(C)C1CCCCC1 114933614 343764966 /nfs/dbraw/zinc/76/49/66/343764966.db2.gz DWWWACSNPYTPQY-UHFFFAOYSA-N 0 0 170.256 1.590 10 0 ADAERN CC1(C)Cn2c(nc(Cl)cc2=O)N1 114867987 343764991 /nfs/dbraw/zinc/76/49/91/343764991.db2.gz FJRIDNLLEXWYAU-UHFFFAOYSA-N 0 0 199.641 1.101 10 0 ADAERN CCn1cc2cc(CO)ccc2n1 114816581 343765004 /nfs/dbraw/zinc/76/50/04/343765004.db2.gz CXYUCLJDIXVTAQ-UHFFFAOYSA-N 0 0 176.219 1.549 10 0 ADAERN CN(C)c1cc(Cl)ncc1C=O 114804364 343765018 /nfs/dbraw/zinc/76/50/18/343765018.db2.gz OHEXYGKQGSUNQM-UHFFFAOYSA-N 0 0 184.626 1.614 10 0 in-vitro ADAERN CNC(=O)c1cc(C)c(N)c(C)c1 115012913 343765401 /nfs/dbraw/zinc/76/54/01/343765401.db2.gz KIQXSRKPXDNMRQ-UHFFFAOYSA-N 0 0 178.235 1.245 10 0 ADAERN Cc1cc2c(cc1N)CCC(=O)N2C 115054495 343765403 /nfs/dbraw/zinc/76/54/03/343765403.db2.gz VWWJWHQOODEWSN-UHFFFAOYSA-N 0 0 190.246 1.486 10 0 ADAERN O=c1occc2cc(O)ccc12 115054985 343765410 /nfs/dbraw/zinc/76/54/10/343765410.db2.gz BVBAVYGOXUZJJD-UHFFFAOYSA-N 0 0 162.144 1.499 10 0 ADAERN COPc1ccccc1 114963454 343765421 /nfs/dbraw/zinc/76/54/21/343765421.db2.gz ILZUMOMDNFYVSY-UHFFFAOYSA-N 0 0 140.122 1.552 10 0 ADAERN CCN1Cc2cc(C)c(N)cc2C1=O 115060064 343765433 /nfs/dbraw/zinc/76/54/33/343765433.db2.gz PPEKZNJFOIUHEK-UHFFFAOYSA-N 0 0 190.246 1.553 10 0 ADAERN COC(=O)c1cc2c([nH]1)C[C@@H](C)C2=O 115008096 343765449 /nfs/dbraw/zinc/76/54/49/343765449.db2.gz PNAARDJSHKNXQV-RXMQYKEDSA-N 0 0 193.202 1.176 10 0 ADAERN c1cnc2cc(-c3ccncc3)nn2c1 115038408 343765479 /nfs/dbraw/zinc/76/54/79/343765479.db2.gz JOHJLWCTEGQDQB-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CCN1Cc2cc(C)ccc2C1=O 115060508 343765499 /nfs/dbraw/zinc/76/54/99/343765499.db2.gz IEMAAXVDDRMTBV-UHFFFAOYSA-N 0 0 175.231 1.971 10 0 ADAERN Cc1ccc(C2(C)OCCO2)cc1N 115066954 343765527 /nfs/dbraw/zinc/76/55/27/343765527.db2.gz BTLJMQRYKWIPRR-UHFFFAOYSA-N 0 0 193.246 1.797 10 0 ADAERN Cc1cc(C(=O)N(C)C)cc(C)c1N 115014609 343765532 /nfs/dbraw/zinc/76/55/32/343765532.db2.gz DTACCDZGYGHYQZ-UHFFFAOYSA-N 0 0 192.262 1.587 10 0 ADAERN COC(=O)c1cc2c([nH]1)C[C@H](C)C2=O 115008098 343765613 /nfs/dbraw/zinc/76/56/13/343765613.db2.gz PNAARDJSHKNXQV-YFKPBYRVSA-N 0 0 193.202 1.176 10 0 ADAERN CCSCCOCCOC 114946348 343765678 /nfs/dbraw/zinc/76/56/78/343765678.db2.gz GVZVLBHIBOAEGL-UHFFFAOYSA-N 0 0 164.270 1.403 10 0 ADAERN CCN(C(=O)NC)C(C)C 114936762 343765691 /nfs/dbraw/zinc/76/56/91/343765691.db2.gz FVPUDQIXLNRVDJ-UHFFFAOYSA-N 0 0 144.218 1.056 10 0 ADAERN OCC[C@@H](CO)C1CCCCC1 115259768 343765880 /nfs/dbraw/zinc/76/58/80/343765880.db2.gz LBPGZEMBZZWGEZ-JTQLQIEISA-N 0 0 172.268 1.558 10 0 ADAERN CCOC(=O)c1ccnc(C2CC2)n1 115276021 343765892 /nfs/dbraw/zinc/76/58/92/343765892.db2.gz BQTXTRAAPDCYSK-UHFFFAOYSA-N 0 0 192.218 1.531 10 0 ADAERN OCC[C@H](CO)C1CCCCC1 115259770 343765919 /nfs/dbraw/zinc/76/59/19/343765919.db2.gz LBPGZEMBZZWGEZ-SNVBAGLBSA-N 0 0 172.268 1.558 10 0 ADAERN CCC(Cl)(Cl)[C@H]1CC(=O)O1 115268951 343766033 /nfs/dbraw/zinc/76/60/33/343766033.db2.gz WSGOEFTUSDBIPX-SCSAIBSYSA-N 0 0 183.034 1.886 10 0 ADAERN CNc1ccccc1COC(C)=O 115148249 343766110 /nfs/dbraw/zinc/76/61/10/343766110.db2.gz KLLCSLDXPYEAEI-UHFFFAOYSA-N 0 0 179.219 1.791 10 0 ADAERN COCOc1ccc(C(C)=O)nc1 115123071 343766122 /nfs/dbraw/zinc/76/61/22/343766122.db2.gz UOXULNLXONPQDF-UHFFFAOYSA-N 0 0 181.191 1.267 10 0 ADAERN CCOC(CC(=O)C(F)F)OCC 115199397 343766159 /nfs/dbraw/zinc/76/61/59/343766159.db2.gz GWPSWLSDKBLIFV-UHFFFAOYSA-N 0 0 196.193 1.610 10 0 ADAERN CCC(Cl)(Cl)[C@@H]1CC(=O)O1 115268949 343766219 /nfs/dbraw/zinc/76/62/19/343766219.db2.gz WSGOEFTUSDBIPX-BYPYZUCNSA-N 0 0 183.034 1.886 10 0 ADAERN CNc1c(N)cccc1C#N 115366398 343766483 /nfs/dbraw/zinc/76/64/83/343766483.db2.gz BRDMPKPWAVVSHF-UHFFFAOYSA-N 0 0 147.181 1.182 10 0 ADAERN COc1ccc(SC)cc1CO 115335050 343766500 /nfs/dbraw/zinc/76/65/00/343766500.db2.gz JYQKBQBPXDLYIE-UHFFFAOYSA-N 0 0 184.260 1.909 10 0 ADAERN CCOC(=O)c1n[nH]c2c1C[C@@H](C)C2 115342063 343766566 /nfs/dbraw/zinc/76/65/66/343766566.db2.gz RQPLOCUTAZTNMA-ZCFIWIBFSA-N 0 0 194.234 1.321 10 0 ADAERN CCNc1c(C=O)cnc2[nH]ccc12 115311635 343766590 /nfs/dbraw/zinc/76/65/90/343766590.db2.gz CWKOUGPJRVVYQX-UHFFFAOYSA-N 0 0 189.218 1.807 10 0 ADAERN CCc1cncnc1C 115306667 343766753 /nfs/dbraw/zinc/76/67/53/343766753.db2.gz VBYNWDSUFLFBCG-UHFFFAOYSA-N 0 0 122.171 1.347 10 0 ADAERN CNc1c(C=O)cnc2[nH]ccc12 115311498 343766604 /nfs/dbraw/zinc/76/66/04/343766604.db2.gz BPCYVNDKZVHIDH-UHFFFAOYSA-N 0 0 175.191 1.417 10 0 ADAERN CCOC(=O)c1n[nH]c2c1C[C@H](C)C2 115342064 343766691 /nfs/dbraw/zinc/76/66/91/343766691.db2.gz RQPLOCUTAZTNMA-LURJTMIESA-N 0 0 194.234 1.321 10 0 ADAERN Cc1nnc(-c2ccc(O)cc2F)o1 115441139 343766732 /nfs/dbraw/zinc/76/67/32/343766732.db2.gz WUQBURQEJKECOY-UHFFFAOYSA-N 0 0 194.165 1.890 10 0 ADAERN COCOc1ccc(O)c(C=O)c1 115436283 343766742 /nfs/dbraw/zinc/76/67/42/343766742.db2.gz MKAFWXKNSQNSPX-UHFFFAOYSA-N 0 0 182.175 1.187 10 0 ADAERN CCOCOc1cnc(Cl)nc1 115611963 343767075 /nfs/dbraw/zinc/76/70/75/343767075.db2.gz ARWQNRRWGWOKSZ-UHFFFAOYSA-N 0 0 188.614 1.503 10 0 ADAERN O=c1ncsc2ccccc12 115461273 343767157 /nfs/dbraw/zinc/76/71/57/343767157.db2.gz GBEMNSRGSOIQIX-UHFFFAOYSA-N 0 0 163.201 1.657 10 0 ADAERN Cc1noc(C)c1Cn1cnc(N)c1 115731919 343767178 /nfs/dbraw/zinc/76/71/78/343767178.db2.gz VRZSUKBKMJABIB-UHFFFAOYSA-N 0 0 192.222 1.118 10 0 ADAERN Cc1c[nH]c2cccc(CO)c12 115598029 343767245 /nfs/dbraw/zinc/76/72/45/343767245.db2.gz NWEJLHVRVFPSNK-UHFFFAOYSA-N 0 0 161.204 1.969 10 0 ADAERN Brc1nc2cn[nH]cc-2n1 115589775 343767344 /nfs/dbraw/zinc/76/73/44/343767344.db2.gz TZTCUUQEKMMPIL-UHFFFAOYSA-N 0 0 199.011 1.067 10 0 ADAERN Cn1ccc2cc(O)ccc2c1=O 115632333 343767399 /nfs/dbraw/zinc/76/73/99/343767399.db2.gz SLHQPFQVVOCOIW-UHFFFAOYSA-N 0 0 175.187 1.244 10 0 ADAERN OCC[C@H](O)CCC(F)=C(F)F 115749626 343767645 /nfs/dbraw/zinc/76/76/45/343767645.db2.gz NLGQJHQDUWHEMX-RXMQYKEDSA-N 0 0 184.157 1.588 10 0 ADAERN COc1ccc2c(n1)NC(=O)C[C@H]2C 115829422 343767689 /nfs/dbraw/zinc/76/76/89/343767689.db2.gz VCCXCLPHBWYPCD-ZCFIWIBFSA-N 0 0 192.218 1.536 10 0 ADAERN OCC[C@@H](O)CCC(F)=C(F)F 115749624 343767700 /nfs/dbraw/zinc/76/77/00/343767700.db2.gz NLGQJHQDUWHEMX-YFKPBYRVSA-N 0 0 184.157 1.588 10 0 ADAERN OCc1ccc(OCC2CC2)nc1F 116049568 343767745 /nfs/dbraw/zinc/76/77/45/343767745.db2.gz UATTUSIUOSGWNS-UHFFFAOYSA-N 0 0 197.209 1.502 10 0 ADAERN OCc1ncc(OCC2CC2)cc1F 116049398 343767769 /nfs/dbraw/zinc/76/77/69/343767769.db2.gz CQLMAIWNIRXPIM-UHFFFAOYSA-N 0 0 197.209 1.502 10 0 ADAERN O=S1(=O)CCCCCCC1 116022016 343767774 /nfs/dbraw/zinc/76/77/74/343767774.db2.gz WWDVSDDDSOGBOK-UHFFFAOYSA-N 0 0 162.254 1.365 10 0 ADAERN COc1ccc2c(n1)NC(=O)C[C@@H]2C 115829420 343767790 /nfs/dbraw/zinc/76/77/90/343767790.db2.gz VCCXCLPHBWYPCD-LURJTMIESA-N 0 0 192.218 1.536 10 0 ADAERN O=Cc1ccc(OCC2CC2)nc1F 116048510 343767874 /nfs/dbraw/zinc/76/78/74/343767874.db2.gz RATJEKVIHVUQFB-UHFFFAOYSA-N 0 0 195.193 1.822 10 0 ADAERN CC(N)=CC(=O)OC(C)(C)C 115846362 343767894 /nfs/dbraw/zinc/76/78/94/343767894.db2.gz FDCJOQNCHBIAOV-WAYWQWQTSA-N 0 0 157.213 1.191 10 0 ADAERN Cc1c[n+]([O-])c(C)cc1Cl 115833516 343767917 /nfs/dbraw/zinc/76/79/17/343767917.db2.gz WKOZZJRWYNIQJB-UHFFFAOYSA-N 0 0 157.600 1.590 10 0 ADAERN CON(C)C(=O)CCC(F)=C(F)F 115749350 343767923 /nfs/dbraw/zinc/76/79/23/343767923.db2.gz QMVOXMODKOISML-UHFFFAOYSA-N 0 0 197.156 1.864 10 0 ADAERN CCCN(C)C(=O)CCOCC 115998245 343767943 /nfs/dbraw/zinc/76/79/43/343767943.db2.gz GJHZPEMLEDODPQ-UHFFFAOYSA-N 0 0 173.256 1.281 10 0 ADAERN OCc1cnc(OCC2CC2)cc1F 116049791 343767955 /nfs/dbraw/zinc/76/79/55/343767955.db2.gz IQMGHKBRYMLFBN-UHFFFAOYSA-N 0 0 197.209 1.502 10 0 ADAERN O=C1NCCc2cc(C3CC3)ccc21 116159901 343768262 /nfs/dbraw/zinc/76/82/62/343768262.db2.gz OWINDRYHDVMGFO-UHFFFAOYSA-N 0 0 187.242 1.850 10 0 ADAERN O=C1C2C[C@@H]3C[C@H](C2)CC1(O)C3 116067316 343768448 /nfs/dbraw/zinc/76/84/48/343768448.db2.gz XRDNWHRYHHULRF-NLZKFAMNSA-N 0 0 166.220 1.127 10 0 ADAERN COC(=O)CCc1cccc(CO)c1 116104405 343768456 /nfs/dbraw/zinc/76/84/56/343768456.db2.gz ROOBRIVWRSZZNR-UHFFFAOYSA-N 0 0 194.230 1.285 10 0 ADAERN CCOC(=O)c1nnn(C(C)C)c1C 116107946 343768545 /nfs/dbraw/zinc/76/85/45/343768545.db2.gz LQFHNPLRXBVURG-UHFFFAOYSA-N 0 0 197.238 1.344 10 0 ADAERN Cc1cc(OCC2CC2)ncc1CO 116049934 343768578 /nfs/dbraw/zinc/76/85/78/343768578.db2.gz OVDPXDPPLWBQPK-UHFFFAOYSA-N 0 0 193.246 1.671 10 0 ADAERN C[C@@H](CO)c1cc2cc(N)ccc2[nH]1 116250809 343768783 /nfs/dbraw/zinc/76/87/83/343768783.db2.gz SERABXOHFUBJIX-ZETCQYMHSA-N 0 0 190.246 1.846 10 0 ADAERN Nc1n[nH]c2ccc(-c3c[nH]cn3)cc12 116368420 343768849 /nfs/dbraw/zinc/76/88/49/343768849.db2.gz AAWDCFDAOCEJNS-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN CCCCN[C@@H](CC)C(=O)OC 116321102 343768928 /nfs/dbraw/zinc/76/89/28/343768928.db2.gz DIUDKSKQKSXOBZ-QMMMGPOBSA-N 0 0 173.256 1.328 10 0 ADAERN CC(=O)c1ccc2c(c1)COC2=O 116255689 343769025 /nfs/dbraw/zinc/76/90/25/343769025.db2.gz JWNCIWSDIPXYMQ-UHFFFAOYSA-N 0 0 176.171 1.560 10 0 ADAERN Cc1cccc(N)c1N1CCOCC1 116324783 343769111 /nfs/dbraw/zinc/76/91/11/343769111.db2.gz CIRFKYGQEXNBBW-UHFFFAOYSA-N 0 0 192.262 1.414 10 0 ADAERN C[C@H](CO)c1cc2cc(N)ccc2[nH]1 116250811 343769113 /nfs/dbraw/zinc/76/91/13/343769113.db2.gz SERABXOHFUBJIX-SSDOTTSWSA-N 0 0 190.246 1.846 10 0 ADAERN C[C@H](O)[C@H]1COC2(CCCCC2)O1 116321890 343769177 /nfs/dbraw/zinc/76/91/77/343769177.db2.gz SASZOMPJCVAWQU-DTWKUNHWSA-N 0 0 186.251 1.443 10 0 ADAERN COC(=O)c1c(C)ccc(O)c1F 116346180 343769188 /nfs/dbraw/zinc/76/91/88/343769188.db2.gz REBUTGVDTWZVDV-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CNC(=O)c1ncccc1Cl 116385341 343769235 /nfs/dbraw/zinc/76/92/35/343769235.db2.gz CXPCUCKVWQEKOK-UHFFFAOYSA-N 0 0 170.599 1.095 10 0 ADAERN CCCCN[C@H](CC)C(=O)OC 116321104 343769248 /nfs/dbraw/zinc/76/92/48/343769248.db2.gz DIUDKSKQKSXOBZ-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN COc1ccc(C2(O)CCC2)nc1 116400945 343769629 /nfs/dbraw/zinc/76/96/29/343769629.db2.gz LTDSIWCUJTWUCC-UHFFFAOYSA-N 0 0 179.219 1.462 10 0 ADAERN C=Cc1ccc(C(=O)OC)o1 116448940 343769440 /nfs/dbraw/zinc/76/94/40/343769440.db2.gz VTKRAYXEEIIHDT-UHFFFAOYSA-N 0 0 152.149 1.709 10 0 ADAERN O=C1OCC[C@H]1c1ccc(F)cc1 116454336 343769571 /nfs/dbraw/zinc/76/95/71/343769571.db2.gz DJZPNDGDGKJNEO-VIFPVBQESA-N 0 0 180.178 1.856 10 0 ADAERN CC1(c2ccc(O)cn2)CC1 116401565 343769654 /nfs/dbraw/zinc/76/96/54/343769654.db2.gz RUJBBECXKALYQL-UHFFFAOYSA-N 0 0 149.193 1.839 10 0 ADAERN O=c1[nH]ccc2c3c(ccc12)CCO3 116461921 343769799 /nfs/dbraw/zinc/76/97/99/343769799.db2.gz MEPNEIYJSRZVTE-UHFFFAOYSA-N 0 0 187.198 1.463 10 0 ADAERN C[C@H]1CNC(=O)c2c(N)cccc21 116665117 343770028 /nfs/dbraw/zinc/77/00/28/343770028.db2.gz FKFQEXZHVDNWPL-LURJTMIESA-N 0 0 176.219 1.116 10 0 ADAERN CC1(C)NC(=O)c2c(N)cccc21 116665106 343770259 /nfs/dbraw/zinc/77/02/59/343770259.db2.gz IBGAIGMXVCQOTA-UHFFFAOYSA-N 0 0 176.219 1.247 10 0 ADAERN CO[C@H]1CC[C@@H](CO)CC1 116531779 343770307 /nfs/dbraw/zinc/77/03/07/343770307.db2.gz NCHJRCMIGDFPBX-ZKCHVHJHSA-N 0 0 144.214 1.184 10 0 ADAERN CCC[C@@H](F)CO 116678136 343770335 /nfs/dbraw/zinc/77/03/35/343770335.db2.gz OMAFODCGMXDASL-RXMQYKEDSA-N 0 0 106.140 1.117 10 0 ADAERN CCC[C@H](F)CO 116678139 343770339 /nfs/dbraw/zinc/77/03/39/343770339.db2.gz OMAFODCGMXDASL-YFKPBYRVSA-N 0 0 106.140 1.117 10 0 ADAERN C[C@@H]1CNC(=O)c2c(N)cccc21 116665114 343770424 /nfs/dbraw/zinc/77/04/24/343770424.db2.gz FKFQEXZHVDNWPL-ZCFIWIBFSA-N 0 0 176.219 1.116 10 0 ADAERN CC(C)c1cccc(CC(N)=O)c1 116863509 343770601 /nfs/dbraw/zinc/77/06/01/343770601.db2.gz JXFBZALFOTVSFH-UHFFFAOYSA-N 0 0 177.247 1.838 10 0 ADAERN C=CC(=O)OC[C@@H](O)c1ccccc1 116853121 343770664 /nfs/dbraw/zinc/77/06/64/343770664.db2.gz NSIHCJDYMGWYKW-SNVBAGLBSA-N 0 0 192.214 1.449 10 0 ADAERN Cc1cc(CS(C)(=O)=O)ccc1N 116780183 343770755 /nfs/dbraw/zinc/77/07/55/343770755.db2.gz SVIBMYDQORCHNN-UHFFFAOYSA-N 0 0 199.275 1.122 10 0 ADAERN CCc1c(OC)ccc(C=O)c1O 116780131 343770802 /nfs/dbraw/zinc/77/08/02/343770802.db2.gz SEMRSJLYFXOYBG-UHFFFAOYSA-N 0 0 180.203 1.776 10 0 ADAERN CN(C)C(=S)c1cccnc1 116855145 343770874 /nfs/dbraw/zinc/77/08/74/343770874.db2.gz GBRSFAJLOIVQLY-UHFFFAOYSA-N 0 0 166.249 1.319 10 0 ADAERN Brc1ccnc2n[nH]nc12 116752470 343770935 /nfs/dbraw/zinc/77/09/35/343770935.db2.gz OVQVIOPGKYJLFN-UHFFFAOYSA-N 0 0 199.011 1.115 10 0 ADAERN C=CC(=O)OC[C@H](O)c1ccccc1 116853119 343771051 /nfs/dbraw/zinc/77/10/51/343771051.db2.gz NSIHCJDYMGWYKW-JTQLQIEISA-N 0 0 192.214 1.449 10 0 ADAERN OCCc1cccc(C2COC2)c1 117183372 343772445 /nfs/dbraw/zinc/77/24/45/343772445.db2.gz QGGOFLISMFDJCJ-UHFFFAOYSA-N 0 0 178.231 1.335 10 0 ADAERN OCC1(Cc2ccccc2)COC1 116915344 343771357 /nfs/dbraw/zinc/77/13/57/343771357.db2.gz ALMCKLJXRMOPIN-UHFFFAOYSA-N 0 0 178.231 1.238 10 0 ADAERN OCc1ccc(C2CC2)nc1 116948684 343771428 /nfs/dbraw/zinc/77/14/28/343771428.db2.gz WJXGWBDAVOZCPR-UHFFFAOYSA-N 0 0 149.193 1.451 10 0 ADAERN N#CC1(NC(=O)C2CCCC2)CC1 116894328 343771523 /nfs/dbraw/zinc/77/15/23/343771523.db2.gz CNEIHBWJOPDJHZ-UHFFFAOYSA-N 0 0 178.235 1.349 10 0 ADAERN CCCCO[P@H](C)=O 116907213 343771537 /nfs/dbraw/zinc/77/15/37/343771537.db2.gz KTLVBRGYKPPKFL-UHFFFAOYSA-N 0 0 136.131 1.908 10 0 ADAERN Oc1ccc2c(c1)CC[C@H](O)C2 116886112 343771586 /nfs/dbraw/zinc/77/15/86/343771586.db2.gz BVPAOUXLSMJEPL-JTQLQIEISA-N 0 0 164.204 1.242 10 0 ADAERN Cc1cc2c(cc1N)N(C)C(=O)CC2 116987779 343771850 /nfs/dbraw/zinc/77/18/50/343771850.db2.gz WLPKSJCRFSDGOC-UHFFFAOYSA-N 0 0 190.246 1.486 10 0 ADAERN Oc1ccc2c(c1)CC[C@@H](O)C2 116886110 343771874 /nfs/dbraw/zinc/77/18/74/343771874.db2.gz BVPAOUXLSMJEPL-SNVBAGLBSA-N 0 0 164.204 1.242 10 0 ADAERN CC(C)CC1(C(N)=O)CCC1 117046653 343772049 /nfs/dbraw/zinc/77/20/49/343772049.db2.gz HWYSGFFIOLCWNG-UHFFFAOYSA-N 0 0 155.241 1.688 10 0 ADAERN C[C@H](C(N)=O)c1ccccc1F 117216812 343772112 /nfs/dbraw/zinc/77/21/12/343772112.db2.gz BVYYQSJZFVLYNI-LURJTMIESA-N 0 0 167.183 1.415 10 0 ADAERN C[C@@H](C(N)=O)c1ccccc1F 117216810 343772147 /nfs/dbraw/zinc/77/21/47/343772147.db2.gz BVYYQSJZFVLYNI-ZCFIWIBFSA-N 0 0 167.183 1.415 10 0 ADAERN Cn1cc(-c2ccc3nccn3c2)cn1 117254472 343772252 /nfs/dbraw/zinc/77/22/52/343772252.db2.gz PBHYPDOTWKRCRX-UHFFFAOYSA-N 0 0 198.229 1.735 10 0 ADAERN CCc1cc(CC)ncn1 117046036 343772304 /nfs/dbraw/zinc/77/23/04/343772304.db2.gz SNIXZMWZFNMADT-UHFFFAOYSA-N 0 0 136.198 1.601 10 0 ADAERN COC(=O)N1CC[C@H]2C(=O)CCC[C@@H]21 117221021 343772310 /nfs/dbraw/zinc/77/23/10/343772310.db2.gz NZYYBAHLELETLF-SFYZADRCSA-N 0 0 197.234 1.196 10 0 ADAERN COC(=O)N1CC[C@@H]2C(=O)CCC[C@H]21 117221026 343772366 /nfs/dbraw/zinc/77/23/66/343772366.db2.gz NZYYBAHLELETLF-JGVFFNPUSA-N 0 0 197.234 1.196 10 0 ADAERN Clc1cccc(N2CCC2)n1 117184158 343772370 /nfs/dbraw/zinc/77/23/70/343772370.db2.gz GCXXXVXQWIKEGP-UHFFFAOYSA-N 0 0 168.627 1.945 10 0 ADAERN COC(=O)N1CC[C@@H]2C(=O)CCC[C@@H]21 117221022 343772405 /nfs/dbraw/zinc/77/24/05/343772405.db2.gz NZYYBAHLELETLF-YUMQZZPRSA-N 0 0 197.234 1.196 10 0 ADAERN O=c1[nH]nc(C2CC2)c2ccccc12 117120021 343772412 /nfs/dbraw/zinc/77/24/12/343772412.db2.gz GWAFDJVCJPMKTK-UHFFFAOYSA-N 0 0 186.214 1.801 10 0 ADAERN CC(C)SO 117198077 343772421 /nfs/dbraw/zinc/77/24/21/343772421.db2.gz XNAUEGBMUTZONI-UHFFFAOYSA-N 0 0 91.155 1.474 10 0 ADAERN CCc1n[nH]c(CC)c1CCO 117082109 343772441 /nfs/dbraw/zinc/77/24/41/343772441.db2.gz ALTYQZDIOUHGSR-UHFFFAOYSA-N 0 0 168.240 1.069 10 0 ADAERN CCOC(=O)c1cnc(CC)o1 117503468 343772682 /nfs/dbraw/zinc/77/26/82/343772682.db2.gz CIWFKCUZQXHNKW-UHFFFAOYSA-N 0 0 169.180 1.414 10 0 ADAERN O=c1[nH]cccc1Cc1ccccc1 117503570 343772720 /nfs/dbraw/zinc/77/27/20/343772720.db2.gz RKIOBDYNFLHVQZ-UHFFFAOYSA-N 0 0 185.226 1.966 10 0 ADAERN OCC1(O[C@H]2CCCCO2)CC1 117331588 343772724 /nfs/dbraw/zinc/77/27/24/343772724.db2.gz WUITVYNYMCDYDK-QMMMGPOBSA-N 0 0 172.224 1.055 10 0 ADAERN C=C[C@H]1OC(CC)(CC)O[C@H]1C=O 117576732 343772744 /nfs/dbraw/zinc/77/27/44/343772744.db2.gz HYDKBTNHACKWLR-BDAKNGLRSA-N 0 0 184.235 1.672 10 0 ADAERN OCC1(O[C@@H]2CCCCO2)CC1 117331586 343772864 /nfs/dbraw/zinc/77/28/64/343772864.db2.gz WUITVYNYMCDYDK-MRVPVSSYSA-N 0 0 172.224 1.055 10 0 ADAERN Cc1ccc2oc(C(N)=O)c(N)c2c1 117317409 343772878 /nfs/dbraw/zinc/77/28/78/343772878.db2.gz SBQZPDRLPARGMG-UHFFFAOYSA-N 0 0 190.202 1.422 10 0 ADAERN O[C@H]1CCC[C@@]12CCC[C@H]2O 117478304 343772910 /nfs/dbraw/zinc/77/29/10/343772910.db2.gz ACIVJWAOSTYYEP-HRDYMLBCSA-N 0 0 156.225 1.062 10 0 ADAERN Nc1cccc(-c2cccnc2)c1N 117637853 343773141 /nfs/dbraw/zinc/77/31/41/343773141.db2.gz JLESUFOUYVCKQG-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN CC1(C)OC[C@@H](C(C)(C)CO)O1 117653239 343773219 /nfs/dbraw/zinc/77/32/19/343773219.db2.gz URTBPPCZPJXWTK-ZETCQYMHSA-N 0 0 174.240 1.156 10 0 ADAERN Cc1cc2n[nH]cc2cc1C(=[NH2+])NO 117765333 343773274 /nfs/dbraw/zinc/77/32/74/343773274.db2.gz YSNRIUKXWWIISW-UHFFFAOYSA-N 0 0 190.206 1.175 10 0 ADAERN c1ccc2c(c1)nc1n2NSC1 117672930 343773302 /nfs/dbraw/zinc/77/33/02/343773302.db2.gz IFMOKFXJKQPIEH-UHFFFAOYSA-N 0 0 177.232 1.884 10 0 ADAERN CCCNC(C)=CC(=O)OCC 117674782 343773339 /nfs/dbraw/zinc/77/33/39/343773339.db2.gz PAZDNVYVODMRHV-BQYQJAHWSA-N 0 0 171.240 1.453 10 0 ADAERN C[C@@H](c1ccc(N)cc1)S(C)(=O)=O 117891686 343774032 /nfs/dbraw/zinc/77/40/32/343774032.db2.gz JUTRKLQKWPZWKZ-ZETCQYMHSA-N 0 0 199.275 1.374 10 0 ADAERN CCC1(CC)O[C@@H]2C=CC(=O)[C@@H]2O1 117577859 343773451 /nfs/dbraw/zinc/77/34/51/343773451.db2.gz ZWTFAGHMEQBVCD-BDAKNGLRSA-N 0 0 182.219 1.426 10 0 ADAERN C[C@]1(C(N)=O)CCc2ccccc2C1 117903190 343773739 /nfs/dbraw/zinc/77/37/39/343773739.db2.gz BMALEMKJTTVUJO-LBPRGKRZSA-N 0 0 189.258 1.667 10 0 ADAERN C[C@@]1(C(N)=O)CCc2ccccc2C1 117903193 343773808 /nfs/dbraw/zinc/77/38/08/343773808.db2.gz BMALEMKJTTVUJO-GFCCVEGCSA-N 0 0 189.258 1.667 10 0 ADAERN COCO[C@@H](CO)c1ccccc1 117930480 343773829 /nfs/dbraw/zinc/77/38/29/343773829.db2.gz PIJVJGLIVUPFFF-JTQLQIEISA-N 0 0 182.219 1.341 10 0 ADAERN CCOc1cc(C)ncc1C(=O)NC 117989660 343774008 /nfs/dbraw/zinc/77/40/08/343774008.db2.gz AZMWPAKXWWTJMH-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 ADAERN CN(C)c1ccnc2[nH]ccc12 117992025 343774018 /nfs/dbraw/zinc/77/40/18/343774018.db2.gz OBXZNRPLIWKLRO-UHFFFAOYSA-N 0 0 161.208 1.629 10 0 ADAERN C=C/C=C/C=C/[C@@H](C)O 117814958 343774037 /nfs/dbraw/zinc/77/40/37/343774037.db2.gz RBGOLLSUSZOVON-VZJIETKXSA-N 0 0 124.183 1.666 10 0 ADAERN C[C@H](c1ccc(N)cc1)S(C)(=O)=O 117891689 343774054 /nfs/dbraw/zinc/77/40/54/343774054.db2.gz JUTRKLQKWPZWKZ-SSDOTTSWSA-N 0 0 199.275 1.374 10 0 ADAERN Cc1ccc2c(N)cc(=O)oc2c1 117898270 343774057 /nfs/dbraw/zinc/77/40/57/343774057.db2.gz BUXCBQPRZHFIOK-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN COC(=O)c1c[nH]c2c(=O)[nH]ccc12 117890010 343774100 /nfs/dbraw/zinc/77/41/00/343774100.db2.gz VPXDDHVKFOKJTK-UHFFFAOYSA-N 0 0 192.174 1.055 10 0 ADAERN COCO[C@H](CO)c1ccccc1 117930486 343774107 /nfs/dbraw/zinc/77/41/07/343774107.db2.gz PIJVJGLIVUPFFF-SNVBAGLBSA-N 0 0 182.219 1.341 10 0 ADAERN CCc1nc(C)ncc1O 118073638 343774249 /nfs/dbraw/zinc/77/42/49/343774249.db2.gz JZVXHFDQHDCCNR-UHFFFAOYSA-N 0 0 138.170 1.053 10 0 ADAERN COCOc1ccc(F)cc1CO 118071807 343774270 /nfs/dbraw/zinc/77/42/70/343774270.db2.gz CMRQQMCVYFYWGL-UHFFFAOYSA-N 0 0 186.182 1.301 10 0 ADAERN CCc1ncc(O)c(C)n1 118071407 343774356 /nfs/dbraw/zinc/77/43/56/343774356.db2.gz QQMCAUZRVDUNIQ-UHFFFAOYSA-N 0 0 138.170 1.053 10 0 ADAERN O=C1OC[C@@H]2C[C@]12c1cccc(F)c1 118071694 343774379 /nfs/dbraw/zinc/77/43/79/343774379.db2.gz ZIGLZWUYYGXYOO-GZMMTYOYSA-N 0 0 192.189 1.640 10 0 ADAERN O=c1[nH]cccc1N1CCCCC1 118020277 343774401 /nfs/dbraw/zinc/77/44/01/343774401.db2.gz PSUDWWOSBUZAAQ-UHFFFAOYSA-N 0 0 178.235 1.778 10 0 ADAERN OC[C@@H]1C[C@@]1(CO)c1cccc(F)c1 118075278 343774440 /nfs/dbraw/zinc/77/44/40/343774440.db2.gz LYRQPKNAZSUDKZ-GXSJLCMTSA-N 0 0 196.221 1.068 10 0 ADAERN CCc1nc(C)ncc1OC 118073786 343774579 /nfs/dbraw/zinc/77/45/79/343774579.db2.gz DAROYORXUQFFOH-UHFFFAOYSA-N 0 0 152.197 1.356 10 0 ADAERN CCc1nc(Cl)ncc1OC 118079124 343774626 /nfs/dbraw/zinc/77/46/26/343774626.db2.gz ZYOAWHBDVAFHAY-UHFFFAOYSA-N 0 0 172.615 1.701 10 0 ADAERN COC(=O)c1cc(C)cc(CO)c1 118196816 343774752 /nfs/dbraw/zinc/77/47/52/343774752.db2.gz MCZNYOXYIJCDQV-UHFFFAOYSA-N 0 0 180.203 1.274 10 0 ADAERN OCc1ccc2ncccc2n1 118230683 343774756 /nfs/dbraw/zinc/77/47/56/343774756.db2.gz OADRKOXQOYSNDT-UHFFFAOYSA-N 0 0 160.176 1.122 10 0 ADAERN O=C(Cl)[C@@H]1CC[C@@H](C(=O)Cl)C1 118178642 343774759 /nfs/dbraw/zinc/77/47/59/343774759.db2.gz JWNAMEREUVNQAD-RFZPGFLSSA-N 0 0 195.045 1.934 10 0 ADAERN [NH3+]Cc1ccc2ncccc2c1F 118237006 343774814 /nfs/dbraw/zinc/77/48/14/343774814.db2.gz YKGBOHZPTJFCFE-UHFFFAOYSA-N 0 0 176.194 1.833 10 0 ADAERN O=C(Cl)[C@H]1CC[C@H](C(=O)Cl)C1 118178639 343774835 /nfs/dbraw/zinc/77/48/35/343774835.db2.gz JWNAMEREUVNQAD-WHFBIAKZSA-N 0 0 195.045 1.934 10 0 ADAERN CCOC(=O)Nc1ncccc1C=O 118308468 343774857 /nfs/dbraw/zinc/77/48/57/343774857.db2.gz HXDDLSOJLAVVJI-UHFFFAOYSA-N 0 0 194.190 1.463 10 0 ADAERN CCn1cc2sc(C[NH3+])cc2n1 118239321 343775025 /nfs/dbraw/zinc/77/50/25/343775025.db2.gz ZAEWHBOFIZNFHK-UHFFFAOYSA-N 0 0 181.264 1.576 10 0 ADAERN CC1(C)C[C@@H](CCO)CCO1 118281323 343775047 /nfs/dbraw/zinc/77/50/47/343775047.db2.gz FXLLSPORYNKBOX-QMMMGPOBSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@H]([NH3+])c1cc2n[nH]cc2s1 118235885 343775054 /nfs/dbraw/zinc/77/50/54/343775054.db2.gz RCEUZTMIQWIRHY-BYPYZUCNSA-N 0 0 167.237 1.644 10 0 ADAERN O=C(Cl)[C@H]1CC[C@@H](C(=O)Cl)C1 118178636 343775060 /nfs/dbraw/zinc/77/50/60/343775060.db2.gz JWNAMEREUVNQAD-SYDPRGILSA-N 0 0 195.045 1.934 10 0 ADAERN O=C1C[C@@H](OCc2ccccc2)CN1 118225806 343775106 /nfs/dbraw/zinc/77/51/06/343775106.db2.gz QRSLXQGZVSHEQI-SNVBAGLBSA-N 0 0 191.230 1.092 10 0 ADAERN CCn1ncc2sc(C[NH3+])cc21 118237160 343775136 /nfs/dbraw/zinc/77/51/36/343775136.db2.gz IHTQGJZITFFJOK-UHFFFAOYSA-N 0 0 181.264 1.576 10 0 ADAERN CC1(C)C[C@H](CCO)CCO1 118281324 343775144 /nfs/dbraw/zinc/77/51/44/343775144.db2.gz FXLLSPORYNKBOX-MRVPVSSYSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@@H]([NH3+])c1cc2n[nH]cc2s1 118235884 343775159 /nfs/dbraw/zinc/77/51/59/343775159.db2.gz RCEUZTMIQWIRHY-SCSAIBSYSA-N 0 0 167.237 1.644 10 0 ADAERN Cc1ccc2c(=O)[nH]ccc2c1O 118477531 343775406 /nfs/dbraw/zinc/77/54/06/343775406.db2.gz BNHHFOKILAPBHT-UHFFFAOYSA-N 0 0 175.187 1.542 10 0 ADAERN CC[C@H]1OC(C)(C)O[C@@H]1C(=O)OC 118355424 343775420 /nfs/dbraw/zinc/77/54/20/343775420.db2.gz JRANVQLZOWUIJV-RQJHMYQMSA-N 0 0 188.223 1.090 10 0 ADAERN c1coc(-c2c[nH]cn2)n1 118452869 343775512 /nfs/dbraw/zinc/77/55/12/343775512.db2.gz RYKOYUTUBHLVOT-UHFFFAOYSA-N 0 0 135.126 1.065 10 0 ADAERN CC(=O)N1C(=O)Cc2cc(F)ccc21 118461071 343775558 /nfs/dbraw/zinc/77/55/58/343775558.db2.gz XGLSPKGTTUVKHX-UHFFFAOYSA-N 0 0 193.177 1.261 10 0 ADAERN CC(C)(C)OC(=O)c1cc(C=O)[nH]n1 118314560 343775605 /nfs/dbraw/zinc/77/56/05/343775605.db2.gz DVBJWZRNBWIPCH-UHFFFAOYSA-N 0 0 196.206 1.178 10 0 ADAERN C=Cc1csc2c(N)ncnc12 118383680 343775678 /nfs/dbraw/zinc/77/56/78/343775678.db2.gz ZOBRQUFQDWQGLP-UHFFFAOYSA-N 0 0 177.232 1.917 10 0 ADAERN Cc1c(Cl)ncnc1C(=O)Cl 118461010 343775685 /nfs/dbraw/zinc/77/56/85/343775685.db2.gz CCOBAYWMTYQMNL-UHFFFAOYSA-N 0 0 191.017 1.817 10 0 ADAERN COc1c(C(N)=O)[nH]c2ccccc12 118695205 343775945 /nfs/dbraw/zinc/77/59/45/343775945.db2.gz HUXUOVNRRKYXIA-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN C1=NNCC12CCCC2 118615475 343776188 /nfs/dbraw/zinc/77/61/88/343776188.db2.gz XXRBLXQKAWICQN-UHFFFAOYSA-N 0 0 124.187 1.136 10 0 ADAERN CCc1ccc(O)cc1C(=O)OC 118628935 343776234 /nfs/dbraw/zinc/77/62/34/343776234.db2.gz DDRYSANPJIXAQG-UHFFFAOYSA-N 0 0 180.203 1.741 10 0 ADAERN CCc1ccc(F)cn1 118669556 343776254 /nfs/dbraw/zinc/77/62/54/343776254.db2.gz KIMHOHJJIOGBEO-UHFFFAOYSA-N 0 0 125.146 1.783 10 0 ADAERN CC(C)(F)[C@@H](O)c1cccnc1 118860898 343776528 /nfs/dbraw/zinc/77/65/28/343776528.db2.gz DFDAFCYIPFKJRP-QMMMGPOBSA-N 0 0 169.199 1.863 10 0 ADAERN CNC(=O)c1ccc(C(C)=O)cc1 118868657 343776608 /nfs/dbraw/zinc/77/66/08/343776608.db2.gz GNTMZXBUCCUICV-UHFFFAOYSA-N 0 0 177.203 1.249 10 0 ADAERN COC(=O)c1ccnc2cccnc12 118743410 343776624 /nfs/dbraw/zinc/77/66/24/343776624.db2.gz LSRBNVUQILLCDO-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN COc1nc(C=O)ccc1C1CC1 118844165 343776632 /nfs/dbraw/zinc/77/66/32/343776632.db2.gz BUXMGIUSFIVYHE-UHFFFAOYSA-N 0 0 177.203 1.780 10 0 ADAERN COC[C@@H]1CC=CCC1 118822220 343776668 /nfs/dbraw/zinc/77/66/68/343776668.db2.gz BFEFPVJJJCFYPU-MRVPVSSYSA-N 0 0 126.199 1.989 10 0 ADAERN CCCc1ccc(C=O)nc1OC 118836276 343776671 /nfs/dbraw/zinc/77/66/71/343776671.db2.gz PDSFPPNKWDOFQE-UHFFFAOYSA-N 0 0 179.219 1.855 10 0 ADAERN CC(C)(F)[C@H](O)c1cccnc1 118860900 343776680 /nfs/dbraw/zinc/77/66/80/343776680.db2.gz DFDAFCYIPFKJRP-MRVPVSSYSA-N 0 0 169.199 1.863 10 0 ADAERN COC(=O)c1ccc([C@H](C)[NH3+])s1 118827194 343776685 /nfs/dbraw/zinc/77/66/85/343776685.db2.gz HUXJXBNTRLZNFA-YFKPBYRVSA-N 0 0 185.248 1.554 10 0 ADAERN COC[C@H]1CC=CCC1 118822218 343776689 /nfs/dbraw/zinc/77/66/89/343776689.db2.gz BFEFPVJJJCFYPU-QMMMGPOBSA-N 0 0 126.199 1.989 10 0 ADAERN O=Cc1cn(CC2CC2)cn1 118872043 343776787 /nfs/dbraw/zinc/77/67/87/343776787.db2.gz CZJCWLDOLYFAKL-UHFFFAOYSA-N 0 0 150.181 1.106 10 0 ADAERN NOCCCc1ccsc1 118824820 343776801 /nfs/dbraw/zinc/77/68/01/343776801.db2.gz DHXZCYYFLGULFI-UHFFFAOYSA-N 0 0 157.238 1.571 10 0 ADAERN COc1nc(CO)ccc1C1CC1 118833617 343776849 /nfs/dbraw/zinc/77/68/49/343776849.db2.gz IPVGQZZHVINXGS-UHFFFAOYSA-N 0 0 179.219 1.460 10 0 ADAERN O=Cc1ccc(C2=NCCO2)cc1 118892907 343777155 /nfs/dbraw/zinc/77/71/55/343777155.db2.gz CCVOSXARWNHXHC-UHFFFAOYSA-N 0 0 175.187 1.276 10 0 ADAERN O=C(c1ccncc1F)[C@@H]1CCOC1 118899248 343777354 /nfs/dbraw/zinc/77/73/54/343777354.db2.gz GHOMTVOXWOWEPW-SSDOTTSWSA-N 0 0 195.193 1.440 10 0 ADAERN Cc1cc(N)cc(S(C)(=O)=O)c1C 118894353 343777388 /nfs/dbraw/zinc/77/73/88/343777388.db2.gz DHWLJIUNOOLIIZ-UHFFFAOYSA-N 0 0 199.275 1.289 10 0 ADAERN CCN(C)C(=O)N[C@@H](C)C(C)C 121949735 343777404 /nfs/dbraw/zinc/77/74/04/343777404.db2.gz BUMSQIXJPNMGLL-QMMMGPOBSA-N 0 0 172.272 1.692 10 0 ADAERN CCN(C)C(=O)N[C@H](C)C(C)C 121949888 343777464 /nfs/dbraw/zinc/77/74/64/343777464.db2.gz BUMSQIXJPNMGLL-MRVPVSSYSA-N 0 0 172.272 1.692 10 0 ADAERN O=C(c1ccncc1F)[C@H]1CCOC1 118899250 343777523 /nfs/dbraw/zinc/77/75/23/343777523.db2.gz GHOMTVOXWOWEPW-ZETCQYMHSA-N 0 0 195.193 1.440 10 0 ADAERN Cc1nccc(N[C@H](C)[C@@H](C)CO)n1 122027527 343777977 /nfs/dbraw/zinc/77/79/77/343777977.db2.gz QBWHFLLPAGZASP-JGVFFNPUSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1nccc(N[C@@H](C)[C@@H](C)CO)n1 122027342 343777998 /nfs/dbraw/zinc/77/79/98/343777998.db2.gz QBWHFLLPAGZASP-YUMQZZPRSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1nccc(N[C@@H](C)[C@H](C)CO)n1 122027778 343778239 /nfs/dbraw/zinc/77/82/39/343778239.db2.gz QBWHFLLPAGZASP-SFYZADRCSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1nccc(N[C@H](C)[C@H](C)CO)n1 122028018 343778248 /nfs/dbraw/zinc/77/82/48/343778248.db2.gz QBWHFLLPAGZASP-HTQZYQBOSA-N 0 0 195.266 1.214 10 0 ADAERN CCCCNC(=O)N[C@H]1C[C@@H]1C 122330984 343779202 /nfs/dbraw/zinc/77/92/02/343779202.db2.gz SSGYBUKGBOUPCC-YUMQZZPRSA-N 0 0 170.256 1.494 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)c1cscn1 122415982 343779163 /nfs/dbraw/zinc/77/91/63/343779163.db2.gz JWKYNRUDHNCYEM-NKWVEPMBSA-N 0 0 196.275 1.529 10 0 ADAERN CCCCNC(=O)N[C@@H]1C[C@@H]1C 122330711 343779189 /nfs/dbraw/zinc/77/91/89/343779189.db2.gz SSGYBUKGBOUPCC-JGVFFNPUSA-N 0 0 170.256 1.494 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)c1cscn1 122416365 343779191 /nfs/dbraw/zinc/77/91/91/343779191.db2.gz JWKYNRUDHNCYEM-BQBZGAKWSA-N 0 0 196.275 1.529 10 0 ADAERN CNC(=O)N1CCCC1(C)C 122404692 343779248 /nfs/dbraw/zinc/77/92/48/343779248.db2.gz AEULAYHUHKXYCX-UHFFFAOYSA-N 0 0 156.229 1.200 10 0 ADAERN CC(C)NC(=O)N[C@H]1C[C@H]1C 122332570 343779256 /nfs/dbraw/zinc/77/92/56/343779256.db2.gz QLHCORSMTQUANI-RQJHMYQMSA-N 0 0 156.229 1.102 10 0 ADAERN CCCCNC(=O)N[C@@H]1C[C@H]1C 122331233 343779264 /nfs/dbraw/zinc/77/92/64/343779264.db2.gz SSGYBUKGBOUPCC-HTQZYQBOSA-N 0 0 170.256 1.494 10 0 ADAERN CNC(=O)N[C@@H](C)c1nc(C)cs1 122327641 343779324 /nfs/dbraw/zinc/77/93/24/343779324.db2.gz SIJKBVTTWYBFLR-LURJTMIESA-N 0 0 199.279 1.442 10 0 ADAERN CCCCNC(=O)N[C@H]1C[C@H]1C 122331422 343779376 /nfs/dbraw/zinc/77/93/76/343779376.db2.gz SSGYBUKGBOUPCC-SFYZADRCSA-N 0 0 170.256 1.494 10 0 ADAERN Cc1cccn(Cc2ccno2)c1=O 122419634 343779425 /nfs/dbraw/zinc/77/94/25/343779425.db2.gz YOHBMPWQTKQQMM-UHFFFAOYSA-N 0 0 190.202 1.193 10 0 ADAERN C[C@H]1CN(C(=O)N(C)C)CCS1 122531701 343779897 /nfs/dbraw/zinc/77/98/97/343779897.db2.gz FMPIERDORVDZOA-ZETCQYMHSA-N 0 0 188.296 1.105 10 0 ADAERN CCC(=O)N1CCS[C@@H](C)C1 122495732 343779937 /nfs/dbraw/zinc/77/99/37/343779937.db2.gz KQIKGAXBTBAFBS-ZETCQYMHSA-N 0 0 173.281 1.360 10 0 ADAERN C[C@H]1CN(C(=O)C2CC2)CCS1 122496207 343779970 /nfs/dbraw/zinc/77/99/70/343779970.db2.gz LJZQATULDZNIFR-ZETCQYMHSA-N 0 0 185.292 1.360 10 0 ADAERN CCC(CC)CNC(=O)COC 122593889 343780516 /nfs/dbraw/zinc/78/05/16/343780516.db2.gz HZJUJUJASLLNLF-UHFFFAOYSA-N 0 0 173.256 1.185 10 0 ADAERN CCC(CC)CNC(=O)CSC 122595644 343780638 /nfs/dbraw/zinc/78/06/38/343780638.db2.gz XLJIJBHKEZRBNV-UHFFFAOYSA-N 0 0 189.324 1.902 10 0 ADAERN CN(CC1CC1)C(=O)NC1CCC1 122876383 343780929 /nfs/dbraw/zinc/78/09/29/343780929.db2.gz HKJHVNRSKVSGIS-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN CC(C)[C@@H](C)NC(=O)NC1CCC1 122870076 343780930 /nfs/dbraw/zinc/78/09/30/343780930.db2.gz PXGQZNAOZJSVFJ-MRVPVSSYSA-N 0 0 184.283 1.883 10 0 ADAERN Cc1ccn(Cc2ccno2)c(=O)c1 122692948 343781128 /nfs/dbraw/zinc/78/11/28/343781128.db2.gz UMVTWNLPAHUAEW-UHFFFAOYSA-N 0 0 190.202 1.193 10 0 ADAERN CC(C)[C@H](C)NC(=O)NC1CCC1 122870277 343781263 /nfs/dbraw/zinc/78/12/63/343781263.db2.gz PXGQZNAOZJSVFJ-QMMMGPOBSA-N 0 0 184.283 1.883 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)NC1CCC1 122884240 343781286 /nfs/dbraw/zinc/78/12/86/343781286.db2.gz XQLRJAPAKIVNQO-YUMQZZPRSA-N 0 0 182.267 1.494 10 0 ADAERN CCCN(C)C(=O)NC1CCC1 122900659 343781785 /nfs/dbraw/zinc/78/17/85/343781785.db2.gz BOUBMWLJQCWOPX-UHFFFAOYSA-N 0 0 170.256 1.590 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncccn1 123063554 343782034 /nfs/dbraw/zinc/78/20/34/343782034.db2.gz BAAQOSFDSXUWFT-JGVFFNPUSA-N 0 0 163.224 1.545 10 0 ADAERN Cc1nc(O[C@@H]2CCOC2)ccc1N 123249905 343782343 /nfs/dbraw/zinc/78/23/43/343782343.db2.gz SKVFGYXUDMOEOQ-MRVPVSSYSA-N 0 0 194.234 1.140 10 0 ADAERN Cc1nc(O[C@H]2CCOC2)ccc1N 123250146 343782435 /nfs/dbraw/zinc/78/24/35/343782435.db2.gz SKVFGYXUDMOEOQ-QMMMGPOBSA-N 0 0 194.234 1.140 10 0 ADAERN CC[C@H](C)CN(C)C(=O)NC 123215790 343782441 /nfs/dbraw/zinc/78/24/41/343782441.db2.gz CREFGYBFTZIKRY-ZETCQYMHSA-N 0 0 158.245 1.304 10 0 ADAERN CC[C@@H](C)CN(C)C(=O)NC 123215581 343782513 /nfs/dbraw/zinc/78/25/13/343782513.db2.gz CREFGYBFTZIKRY-SSDOTTSWSA-N 0 0 158.245 1.304 10 0 ADAERN CCN(CC1CC1)C(=O)NC(C)C 123237161 343782596 /nfs/dbraw/zinc/78/25/96/343782596.db2.gz JZUOJBAAFXVCCJ-UHFFFAOYSA-N 0 0 184.283 1.836 10 0 ADAERN Cc1cc(NC[C@H]2C[C@H]2C)ncn1 123339127 343783007 /nfs/dbraw/zinc/78/30/07/343783007.db2.gz KUFDWIYOMNIRMI-VXNVDRBHSA-N 0 0 177.251 1.853 10 0 ADAERN Cc1cc(NC[C@@H]2C[C@H]2C)ncn1 123338873 343783012 /nfs/dbraw/zinc/78/30/12/343783012.db2.gz KUFDWIYOMNIRMI-APPZFPTMSA-N 0 0 177.251 1.853 10 0 ADAERN OCC1(n2cccc2)CCCC1 123342885 343783159 /nfs/dbraw/zinc/78/31/59/343783159.db2.gz IQJCHTXBBGTFNE-UHFFFAOYSA-N 0 0 165.236 1.750 10 0 ADAERN Cc1cc(NC[C@H]2C[C@@H]2C)ncn1 123338619 343783161 /nfs/dbraw/zinc/78/31/61/343783161.db2.gz KUFDWIYOMNIRMI-IONNQARKSA-N 0 0 177.251 1.853 10 0 ADAERN Cc1cc(NC[C@@H]2C[C@@H]2C)ncn1 123338384 343783259 /nfs/dbraw/zinc/78/32/59/343783259.db2.gz KUFDWIYOMNIRMI-CBAPKCEASA-N 0 0 177.251 1.853 10 0 ADAERN COCCCn1cnc(C)c1C 123476410 343783892 /nfs/dbraw/zinc/78/38/92/343783892.db2.gz HHPBFMFPPSIAGL-UHFFFAOYSA-N 0 0 168.240 1.536 10 0 ADAERN CNC(=O)N[C@@H](C)C1CCCC1 123640917 343784173 /nfs/dbraw/zinc/78/41/73/343784173.db2.gz XIBKJBCIHHXDDL-ZETCQYMHSA-N 0 0 170.256 1.494 10 0 ADAERN CC(C)(C)OC(=O)[C@@H](N)CCF 123671203 343784194 /nfs/dbraw/zinc/78/41/94/343784194.db2.gz OUMNWHCMKSTYMF-LURJTMIESA-N 0 0 177.219 1.015 10 0 ADAERN C[C@H](NC(=O)N(C)C)C1CCCC1 123629946 343784418 /nfs/dbraw/zinc/78/44/18/343784418.db2.gz VOQIWQSDRYQCPP-QMMMGPOBSA-N 0 0 184.283 1.836 10 0 ADAERN C[C@H]1CCCCCN1C(=O)N(C)C 123721178 343784495 /nfs/dbraw/zinc/78/44/95/343784495.db2.gz NALPFVLNNRLCMV-VIFPVBQESA-N 0 0 184.283 1.933 10 0 ADAERN CNC(=O)N1CCCCC[C@H]1C 123736946 343784522 /nfs/dbraw/zinc/78/45/22/343784522.db2.gz AMMOEJCWHNUUHN-MRVPVSSYSA-N 0 0 170.256 1.590 10 0 ADAERN CNC(=O)N[C@H](C)C1CCCC1 123641129 343784587 /nfs/dbraw/zinc/78/45/87/343784587.db2.gz XIBKJBCIHHXDDL-SSDOTTSWSA-N 0 0 170.256 1.494 10 0 ADAERN CC(C)[C@@H](CO)n1cccc1 123737380 343784620 /nfs/dbraw/zinc/78/46/20/343784620.db2.gz KOVKGSWADMWKSX-SECBINFHSA-N 0 0 153.225 1.678 10 0 ADAERN OCCn1ccc2ccc(F)cc21 123873142 343784827 /nfs/dbraw/zinc/78/48/27/343784827.db2.gz FQQWWYPTLLKPQL-UHFFFAOYSA-N 0 0 179.194 1.773 10 0 ADAERN Cc1ccn(C[C@@H]2CCCO2)c(=O)c1 123944745 343784933 /nfs/dbraw/zinc/78/49/33/343784933.db2.gz CYSFTIBLHNYULG-JTQLQIEISA-N 0 0 193.246 1.336 10 0 ADAERN Cc1ncn(Cc2ncccn2)c1C 123907107 343785047 /nfs/dbraw/zinc/78/50/47/343785047.db2.gz YFQDXQMLQIHYDU-UHFFFAOYSA-N 0 0 188.234 1.338 10 0 ADAERN Cc1ccn(C[C@H]2CCCO2)c(=O)c1 123944921 343785057 /nfs/dbraw/zinc/78/50/57/343785057.db2.gz CYSFTIBLHNYULG-SNVBAGLBSA-N 0 0 193.246 1.336 10 0 ADAERN CCOCC(=O)NCCCC1CC1 124549989 343786803 /nfs/dbraw/zinc/78/68/03/343786803.db2.gz NIFLPQMXVPIQNG-UHFFFAOYSA-N 0 0 185.267 1.329 10 0 ADAERN CSCCCCNC(=O)C(C)C 124536679 343786820 /nfs/dbraw/zinc/78/68/20/343786820.db2.gz BRHNOEVYNLQBRY-UHFFFAOYSA-N 0 0 189.324 1.902 10 0 ADAERN CO[C@@H](C)C(=O)NCCCC1CC1 124549523 343786863 /nfs/dbraw/zinc/78/68/63/343786863.db2.gz XPULLZNEHJFLDH-QMMMGPOBSA-N 0 0 185.267 1.328 10 0 ADAERN CSCCCCNC(C)=O 124537901 343786917 /nfs/dbraw/zinc/78/69/17/343786917.db2.gz QUVNFCXGIMCQNO-UHFFFAOYSA-N 0 0 161.270 1.266 10 0 ADAERN CSCCCCNC(=O)C1CC1 124539673 343786956 /nfs/dbraw/zinc/78/69/56/343786956.db2.gz VWDMSDPTJVTAII-UHFFFAOYSA-N 0 0 187.308 1.656 10 0 ADAERN CCC(=O)NCCCCSC 124538162 343787026 /nfs/dbraw/zinc/78/70/26/343787026.db2.gz KUEYKXFDSIBWSD-UHFFFAOYSA-N 0 0 175.297 1.656 10 0 ADAERN CO[C@H](C)C(=O)NCCCC1CC1 124549746 343787084 /nfs/dbraw/zinc/78/70/84/343787084.db2.gz XPULLZNEHJFLDH-MRVPVSSYSA-N 0 0 185.267 1.328 10 0 ADAERN CCC(=O)NCCCC1CC1 124545715 343787158 /nfs/dbraw/zinc/78/71/58/343787158.db2.gz CZCRUSGZGVKKQV-UHFFFAOYSA-N 0 0 155.241 1.703 10 0 ADAERN CC(C)OCC(=O)NCCCC1CC1 124543526 343787163 /nfs/dbraw/zinc/78/71/63/343787163.db2.gz GXDIEBTWPCDOEJ-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN O=C(NCCCC1CC1)C1CC1 124547060 343787171 /nfs/dbraw/zinc/78/71/71/343787171.db2.gz BVGVIBDOJGNSEB-UHFFFAOYSA-N 0 0 167.252 1.703 10 0 ADAERN CC(C)C(=O)NCCCC1CC1 124544470 343787189 /nfs/dbraw/zinc/78/71/89/343787189.db2.gz IYWPZGZKTAKYGO-UHFFFAOYSA-N 0 0 169.268 1.949 10 0 ADAERN Cc1ccnc(NC[C@H]2C[C@H]2C)n1 124665083 343787327 /nfs/dbraw/zinc/78/73/27/343787327.db2.gz IVMZODGTGLEGMJ-VXNVDRBHSA-N 0 0 177.251 1.853 10 0 ADAERN O=C(NCCCC1CC1)c1cn[nH]c1 124650048 343787380 /nfs/dbraw/zinc/78/73/80/343787380.db2.gz ROBMJNJURIHNJI-UHFFFAOYSA-N 0 0 193.250 1.330 10 0 ADAERN CN(C)C(=O)NCCCC1CC1 124649251 343787397 /nfs/dbraw/zinc/78/73/97/343787397.db2.gz NZWFBEMNGUDHTP-UHFFFAOYSA-N 0 0 170.256 1.448 10 0 ADAERN CSCCCNC(=O)N(C)C 124597000 343787448 /nfs/dbraw/zinc/78/74/48/343787448.db2.gz DVECRBHJVMXATJ-UHFFFAOYSA-N 0 0 176.285 1.011 10 0 ADAERN Cc1ccnc(NC[C@H]2C[C@@H]2C)n1 124664674 343787653 /nfs/dbraw/zinc/78/76/53/343787653.db2.gz IVMZODGTGLEGMJ-IONNQARKSA-N 0 0 177.251 1.853 10 0 ADAERN CSCCCCNC(=O)N(C)C 124647290 343787682 /nfs/dbraw/zinc/78/76/82/343787682.db2.gz IESDAHMLSRZIHO-UHFFFAOYSA-N 0 0 190.312 1.401 10 0 ADAERN COCCOc1ccc(C(C)=O)cn1 124694841 343787822 /nfs/dbraw/zinc/78/78/22/343787822.db2.gz FWGHJWRFZTVKOB-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN Cc1ccnc(NC[C@@H]2C[C@@H]2C)n1 124664390 343787853 /nfs/dbraw/zinc/78/78/53/343787853.db2.gz IVMZODGTGLEGMJ-CBAPKCEASA-N 0 0 177.251 1.853 10 0 ADAERN CCS(=O)(=O)NCCCC1CC1 124839005 343788370 /nfs/dbraw/zinc/78/83/70/343788370.db2.gz RDDZVSPPRATKHD-UHFFFAOYSA-N 0 0 191.296 1.116 10 0 ADAERN CC(C)NC(=O)NCCCC1CC1 125072230 343788839 /nfs/dbraw/zinc/78/88/39/343788839.db2.gz JWZCWENWPIREJB-UHFFFAOYSA-N 0 0 184.283 1.884 10 0 ADAERN O=C(NCCCC1CC1)NC1CC1 125062521 343788841 /nfs/dbraw/zinc/78/88/41/343788841.db2.gz QVTZPOJWCFIHGU-UHFFFAOYSA-N 0 0 182.267 1.638 10 0 ADAERN CCNC(=O)N[C@@H](C)CSC 125073798 343788889 /nfs/dbraw/zinc/78/88/89/343788889.db2.gz BBSLRWLUWDDHRP-LURJTMIESA-N 0 0 176.285 1.057 10 0 ADAERN CCNC(=O)N[C@H](C)CSC 125073987 343788903 /nfs/dbraw/zinc/78/89/03/343788903.db2.gz BBSLRWLUWDDHRP-ZCFIWIBFSA-N 0 0 176.285 1.057 10 0 ADAERN COc1ccc2c(c1)NC[C@H](C)N2 125082372 343789109 /nfs/dbraw/zinc/78/91/09/343789109.db2.gz ABWRTJOSJMFSFD-ZETCQYMHSA-N 0 0 178.235 1.921 10 0 ADAERN CCNC(=O)NCCCSC 125112867 343789124 /nfs/dbraw/zinc/78/91/24/343789124.db2.gz HXTODDXLSCRAJB-UHFFFAOYSA-N 0 0 176.285 1.059 10 0 ADAERN CCNC(=O)NCCCC1CC1 125074619 343789194 /nfs/dbraw/zinc/78/91/94/343789194.db2.gz RMMSLDAWJDUNIB-UHFFFAOYSA-N 0 0 170.256 1.496 10 0 ADAERN CNC(=O)c1cc(C)cc(F)c1 125147697 343789460 /nfs/dbraw/zinc/78/94/60/343789460.db2.gz DEBSHDCDLUZJHR-UHFFFAOYSA-N 0 0 167.183 1.494 10 0 ADAERN CNC(=O)NCCCC1CC1 125156359 343789658 /nfs/dbraw/zinc/78/96/58/343789658.db2.gz WVTBJNILPUMZDO-UHFFFAOYSA-N 0 0 156.229 1.106 10 0 ADAERN CCN(C)C(=O)NCCCC1CC1 125166977 343789660 /nfs/dbraw/zinc/78/96/60/343789660.db2.gz DKTMUWAVNSMLFU-UHFFFAOYSA-N 0 0 184.283 1.838 10 0 ADAERN CC(=O)CCC(=O)NCCCC1CC1 125137456 343789719 /nfs/dbraw/zinc/78/97/19/343789719.db2.gz QVGOJWXAUPBWMU-UHFFFAOYSA-N 0 0 197.278 1.662 10 0 ADAERN CNC(=O)NCCCCSC 125155619 343789748 /nfs/dbraw/zinc/78/97/48/343789748.db2.gz LUNGKOCVNMCOEP-UHFFFAOYSA-N 0 0 176.285 1.059 10 0 ADAERN CC[C@@H](NC(=O)NC)c1nccs1 125300324 343790052 /nfs/dbraw/zinc/79/00/52/343790052.db2.gz DKFCEMAKJFKADZ-ZCFIWIBFSA-N 0 0 199.279 1.523 10 0 ADAERN CC(C)[C@H](C)CNC(=O)N(C)C 125381826 343790095 /nfs/dbraw/zinc/79/00/95/343790095.db2.gz MDMWNTLGIFPWOU-MRVPVSSYSA-N 0 0 172.272 1.550 10 0 ADAERN C[C@H]1CCN(C(=O)NC2CCC2)C1 125309954 343790382 /nfs/dbraw/zinc/79/03/82/343790382.db2.gz MOJRBYKKCYLEGI-QMMMGPOBSA-N 0 0 182.267 1.590 10 0 ADAERN CC[C@H](NC(=O)NC)c1nccs1 125300141 343790403 /nfs/dbraw/zinc/79/04/03/343790403.db2.gz DKFCEMAKJFKADZ-LURJTMIESA-N 0 0 199.279 1.523 10 0 ADAERN CC(C)[C@@H](C)CNC(=O)N(C)C 125381666 343790424 /nfs/dbraw/zinc/79/04/24/343790424.db2.gz MDMWNTLGIFPWOU-QMMMGPOBSA-N 0 0 172.272 1.550 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)NC1CCC1 125289109 343790448 /nfs/dbraw/zinc/79/04/48/343790448.db2.gz WSGBFXLUJZXEOJ-XPUUQOCRSA-N 0 0 168.240 1.247 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)NC1CCC1 125289570 343790477 /nfs/dbraw/zinc/79/04/77/343790477.db2.gz WSGBFXLUJZXEOJ-POYBYMJQSA-N 0 0 168.240 1.247 10 0 ADAERN CNC(=O)NC[C@@H](C)C(C)C 125429411 343790618 /nfs/dbraw/zinc/79/06/18/343790618.db2.gz FCSWVVYYYCLPEX-SSDOTTSWSA-N 0 0 158.245 1.208 10 0 ADAERN CC[C@H]1CCCCCN1C(=O)NC 125428029 343790668 /nfs/dbraw/zinc/79/06/68/343790668.db2.gz YJKFIVFAECLLJR-VIFPVBQESA-N 0 0 184.283 1.980 10 0 ADAERN CC(C)[C@H](C)CNC(=O)NC1CC1 125415524 343790721 /nfs/dbraw/zinc/79/07/21/343790721.db2.gz DPNWMWPOGOTTJD-MRVPVSSYSA-N 0 0 184.283 1.740 10 0 ADAERN CC(C)NC(=O)NC[C@@H](C)C(C)C 125417905 343790734 /nfs/dbraw/zinc/79/07/34/343790734.db2.gz QSJFDHIFRNJHNK-SECBINFHSA-N 0 0 186.299 1.986 10 0 ADAERN CC(C)[C@@H](C)CNC(=O)NC1CC1 125415303 343790778 /nfs/dbraw/zinc/79/07/78/343790778.db2.gz DPNWMWPOGOTTJD-QMMMGPOBSA-N 0 0 184.283 1.740 10 0 ADAERN CCN(C)C(=O)NC[C@H](C)C(C)C 125433950 343790825 /nfs/dbraw/zinc/79/08/25/343790825.db2.gz SSDMTDGEZJRWKJ-VIFPVBQESA-N 0 0 186.299 1.940 10 0 ADAERN CCCNC(=O)NC[C@H](C)C(C)C 125420133 343790844 /nfs/dbraw/zinc/79/08/44/343790844.db2.gz FISVXIHEIYJHPD-VIFPVBQESA-N 0 0 186.299 1.988 10 0 ADAERN CNC(=O)NC[C@H](C)C(C)C 125429202 343790899 /nfs/dbraw/zinc/79/08/99/343790899.db2.gz FCSWVVYYYCLPEX-ZETCQYMHSA-N 0 0 158.245 1.208 10 0 ADAERN CCCNC(=O)NC[C@@H](C)C(C)C 125419945 343790933 /nfs/dbraw/zinc/79/09/33/343790933.db2.gz FISVXIHEIYJHPD-SECBINFHSA-N 0 0 186.299 1.988 10 0 ADAERN CCNC(=O)NC[C@@H](C)C(C)C 125421048 343790954 /nfs/dbraw/zinc/79/09/54/343790954.db2.gz YOCCPIAOGYIUAR-MRVPVSSYSA-N 0 0 172.272 1.598 10 0 ADAERN CCN(C)C(=O)NC[C@@H](C)C(C)C 125433708 343791004 /nfs/dbraw/zinc/79/10/04/343791004.db2.gz SSDMTDGEZJRWKJ-SECBINFHSA-N 0 0 186.299 1.940 10 0 ADAERN CC(C)NC(=O)NC[C@H](C)C(C)C 125417674 343791030 /nfs/dbraw/zinc/79/10/30/343791030.db2.gz QSJFDHIFRNJHNK-VIFPVBQESA-N 0 0 186.299 1.986 10 0 ADAERN CCNC(=O)NC[C@H](C)C(C)C 125421296 343791036 /nfs/dbraw/zinc/79/10/36/343791036.db2.gz YOCCPIAOGYIUAR-QMMMGPOBSA-N 0 0 172.272 1.598 10 0 ADAERN Cc1ccc(C[NH2+][C@H](C)[C@H](C)CO)o1 125760343 343791827 /nfs/dbraw/zinc/79/18/27/343791827.db2.gz KNHBICIGOOUTGD-PSASIEDQSA-N 0 0 197.278 1.695 10 0 ADAERN Cc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)o1 125760087 343791868 /nfs/dbraw/zinc/79/18/68/343791868.db2.gz KNHBICIGOOUTGD-SCZZXKLOSA-N 0 0 197.278 1.695 10 0 ADAERN Cc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)o1 125759895 343792062 /nfs/dbraw/zinc/79/20/62/343792062.db2.gz KNHBICIGOOUTGD-WCBMZHEXSA-N 0 0 197.278 1.695 10 0 ADAERN Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)o1 125759663 343792198 /nfs/dbraw/zinc/79/21/98/343792198.db2.gz KNHBICIGOOUTGD-WPRPVWTQSA-N 0 0 197.278 1.695 10 0 ADAERN Nc1ccc(OC2CCCC2)nn1 126203896 343792764 /nfs/dbraw/zinc/79/27/64/343792764.db2.gz LMRBLHZUMBHBPG-UHFFFAOYSA-N 0 0 179.223 1.380 10 0 ADAERN CCN1CC[C@H](O)c2ccccc21 125901244 343792814 /nfs/dbraw/zinc/79/28/14/343792814.db2.gz FCNJFFGEBJPVPK-NSHDSACASA-N 0 0 177.247 1.950 10 0 ADAERN Cn1cncc1C(=O)c1cccnc1 126065251 343792971 /nfs/dbraw/zinc/79/29/71/343792971.db2.gz DRLVCZMNVXYBIP-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN CCN1CC[C@@H](O)c2ccccc21 125901469 343793010 /nfs/dbraw/zinc/79/30/10/343793010.db2.gz FCNJFFGEBJPVPK-LLVKDONJSA-N 0 0 177.247 1.950 10 0 ADAERN CN(C)C(=O)N(C)C1CCC1 126367277 343793526 /nfs/dbraw/zinc/79/35/26/343793526.db2.gz OEPIMWRHCPJMIC-UHFFFAOYSA-N 0 0 156.229 1.152 10 0 ADAERN CCc1nc2cnccn2c1C 126538568 343793831 /nfs/dbraw/zinc/79/38/31/343793831.db2.gz ZEPJMARLUPQGAU-UHFFFAOYSA-N 0 0 161.208 1.600 10 0 ADAERN c1cn2c3c(nc2cn1)CCC3 126540711 343793870 /nfs/dbraw/zinc/79/38/70/343793870.db2.gz QXGXBBPWZYWZII-UHFFFAOYSA-N 0 0 159.192 1.218 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cscn1 126553372 343793872 /nfs/dbraw/zinc/79/38/72/343793872.db2.gz WMHWMBHBWUFFIE-RQJHMYQMSA-N 0 0 167.233 1.836 10 0 ADAERN CC(C)n1ncc(Cl)c1NN 126542841 343793874 /nfs/dbraw/zinc/79/38/74/343793874.db2.gz WUUAGRPHOGMWOF-UHFFFAOYSA-N 0 0 174.635 1.403 10 0 ADAERN Cc1nc2cnccn2c1C 126543090 343793907 /nfs/dbraw/zinc/79/39/07/343793907.db2.gz YMZOLMVGQYTQQV-UHFFFAOYSA-N 0 0 147.181 1.346 10 0 ADAERN C[C@@H]1CCc2nc3cnccn3c2C1 126546373 343793913 /nfs/dbraw/zinc/79/39/13/343793913.db2.gz XWDUORNVBNJGLR-MRVPVSSYSA-N 0 0 187.246 1.854 10 0 ADAERN C[C@H]1CCc2nc3cnccn3c2C1 126546668 343793917 /nfs/dbraw/zinc/79/39/17/343793917.db2.gz XWDUORNVBNJGLR-QMMMGPOBSA-N 0 0 187.246 1.854 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cscn1 126553789 343793933 /nfs/dbraw/zinc/79/39/33/343793933.db2.gz WMHWMBHBWUFFIE-RNFRBKRXSA-N 0 0 167.233 1.836 10 0 ADAERN CCCn1ncc(Cl)c1NN 126541658 343793942 /nfs/dbraw/zinc/79/39/42/343793942.db2.gz SDFXLPPYRDBADM-UHFFFAOYSA-N 0 0 174.635 1.232 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cscn1 126553590 343793956 /nfs/dbraw/zinc/79/39/56/343793956.db2.gz WMHWMBHBWUFFIE-NKWVEPMBSA-N 0 0 167.233 1.836 10 0 ADAERN CCc1nc2cnccn2c1C=O 126549518 343793973 /nfs/dbraw/zinc/79/39/73/343793973.db2.gz TVEMCRAQNHOXEV-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cscn1 126553115 343794024 /nfs/dbraw/zinc/79/40/24/343794024.db2.gz WMHWMBHBWUFFIE-BQBZGAKWSA-N 0 0 167.233 1.836 10 0 ADAERN OCC1(Nc2nccs2)CC1 126581146 343794212 /nfs/dbraw/zinc/79/42/12/343794212.db2.gz OFQJXDPJADLMTB-UHFFFAOYSA-N 0 0 170.237 1.080 10 0 ADAERN Cc1nc(NC2(CO)CC2)sc1C 126583342 343794288 /nfs/dbraw/zinc/79/42/88/343794288.db2.gz ZVKHRGMIVPCWMT-UHFFFAOYSA-N 0 0 198.291 1.697 10 0 ADAERN Cc1ccc([C@@H]2NC(=O)N=C2N)s1 126581691 343794309 /nfs/dbraw/zinc/79/43/09/343794309.db2.gz FAXKBIKDKPISLR-LURJTMIESA-N 0 0 195.247 1.178 10 0 ADAERN CSCCCn1ccccc1=O 126581502 343794322 /nfs/dbraw/zinc/79/43/22/343794322.db2.gz DYFXLZIPYDPXOZ-UHFFFAOYSA-N 0 0 183.276 1.601 10 0 ADAERN Cc1ccsc1[C@@H]1NC(=O)N=C1N 126574859 343794345 /nfs/dbraw/zinc/79/43/45/343794345.db2.gz HKESKOJGXAUFGN-YFKPBYRVSA-N 0 0 195.247 1.178 10 0 ADAERN OCC1(Nc2ccc(F)cn2)CC1 126592031 343794358 /nfs/dbraw/zinc/79/43/58/343794358.db2.gz PTMPBPONVRLWTN-UHFFFAOYSA-N 0 0 182.198 1.158 10 0 ADAERN Cc1ccnc(NC2(CO)CC2)c1 126581617 343794389 /nfs/dbraw/zinc/79/43/89/343794389.db2.gz NJFLCQCFSMMKPS-UHFFFAOYSA-N 0 0 178.235 1.327 10 0 ADAERN CSCCCSCCO 126592371 343794402 /nfs/dbraw/zinc/79/44/02/343794402.db2.gz CNPHUNWKUSCKAN-UHFFFAOYSA-N 0 0 166.311 1.465 10 0 ADAERN CSCCCn1cncn1 126598292 343794454 /nfs/dbraw/zinc/79/44/54/343794454.db2.gz SICNXYFDJNOOOD-UHFFFAOYSA-N 0 0 157.242 1.031 10 0 ADAERN OCC1(Nc2ccc(Cl)cn2)CC1 126592290 343794483 /nfs/dbraw/zinc/79/44/83/343794483.db2.gz XDMOOQGIVUWJQW-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN N[C@@H](c1cscn1)c1nccs1 126575494 343794501 /nfs/dbraw/zinc/79/45/01/343794501.db2.gz IHXXXSJBWHGRNM-LURJTMIESA-N 0 0 197.288 1.648 10 0 ADAERN Cc1nc(-c2nccc(=O)[nH]2)cs1 126564465 343794508 /nfs/dbraw/zinc/79/45/08/343794508.db2.gz VFUNAAZPFOJNNR-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN OCC1(Nc2ccc(Cl)nn2)CC1 126596205 343794526 /nfs/dbraw/zinc/79/45/26/343794526.db2.gz SFHXCKJIJRVPPA-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN OCC1(Nc2ncccc2F)CC1 126591142 343794531 /nfs/dbraw/zinc/79/45/31/343794531.db2.gz FMIHXWKBIHPGIL-UHFFFAOYSA-N 0 0 182.198 1.158 10 0 ADAERN Cc1nc(-c2ncc(N)cn2)cs1 126560719 343794567 /nfs/dbraw/zinc/79/45/67/343794567.db2.gz NWNBQGWJBXPTOP-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN OCC1(Nc2ncccc2Cl)CC1 126594971 343794575 /nfs/dbraw/zinc/79/45/75/343794575.db2.gz VRUNZOOXPNBFAT-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN OCC1(Nc2ccccn2)CC1 126590430 343794584 /nfs/dbraw/zinc/79/45/84/343794584.db2.gz ZRWHQRKXVXTJMZ-UHFFFAOYSA-N 0 0 164.208 1.018 10 0 ADAERN Cc1cccc(C)c1[C@@H]1CC(=O)N1 126639812 343794754 /nfs/dbraw/zinc/79/47/54/343794754.db2.gz SCFGKINXVAGDIW-VIFPVBQESA-N 0 0 175.231 1.864 10 0 ADAERN CN1C(=O)N=C(N)[C@@H]1c1ccsc1 126611671 343794831 /nfs/dbraw/zinc/79/48/31/343794831.db2.gz JRWMIFYDCIQKQB-LURJTMIESA-N 0 0 195.247 1.212 10 0 ADAERN OCC1(Nc2cccc(F)n2)CC1 126614532 343794872 /nfs/dbraw/zinc/79/48/72/343794872.db2.gz NTHBTQWROKKXDA-UHFFFAOYSA-N 0 0 182.198 1.158 10 0 ADAERN OCC1(Nc2cccc(Cl)n2)CC1 126609530 343794898 /nfs/dbraw/zinc/79/48/98/343794898.db2.gz LRQQZOOWGOTVDD-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN OCC1(Nc2nccnc2Cl)CC1 126614259 343794930 /nfs/dbraw/zinc/79/49/30/343794930.db2.gz ZHXWUGGRXNBOJR-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN OCC1(Nc2ccnc(F)c2)CC1 126611465 343794995 /nfs/dbraw/zinc/79/49/95/343794995.db2.gz WAGRXEBPPMSYRI-UHFFFAOYSA-N 0 0 182.198 1.158 10 0 ADAERN OCC1(Nc2cc(Cl)ncn2)CC1 126617234 343795005 /nfs/dbraw/zinc/79/50/05/343795005.db2.gz NQEIZYGJWWXIEA-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN Cc1csc(NC2(CO)CC2)n1 126603192 343795088 /nfs/dbraw/zinc/79/50/88/343795088.db2.gz AQCLRSFIMXQFIW-UHFFFAOYSA-N 0 0 184.264 1.388 10 0 ADAERN CN1C(=O)N=C(N)[C@@H]1c1cccs1 126603621 343795099 /nfs/dbraw/zinc/79/50/99/343795099.db2.gz XFPVPHYADKDGSW-LURJTMIESA-N 0 0 195.247 1.212 10 0 ADAERN CSCCCn1cccn1 126599819 343795129 /nfs/dbraw/zinc/79/51/29/343795129.db2.gz ADUJYPYYJLRXPE-UHFFFAOYSA-N 0 0 156.254 1.636 10 0 ADAERN OCC1(Nc2cncc(Cl)n2)CC1 126614012 343795144 /nfs/dbraw/zinc/79/51/44/343795144.db2.gz MXKWLOYFUFOXCM-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN Cc1cccc(C)c1[C@H]1CC(=O)N1 126640034 343795441 /nfs/dbraw/zinc/79/54/41/343795441.db2.gz SCFGKINXVAGDIW-SECBINFHSA-N 0 0 175.231 1.864 10 0 ADAERN CC[C@@H](C)n1ccc(C=O)n1 126698430 343795857 /nfs/dbraw/zinc/79/58/57/343795857.db2.gz ORKXWHSSEQEIMK-SSDOTTSWSA-N 0 0 152.197 1.667 10 0 ADAERN CC[C@H](C)n1ccc(C=O)n1 126698672 343795980 /nfs/dbraw/zinc/79/59/80/343795980.db2.gz ORKXWHSSEQEIMK-ZETCQYMHSA-N 0 0 152.197 1.667 10 0 ADAERN Cc1noc(-c2cccc(N)n2)n1 126728677 343796105 /nfs/dbraw/zinc/79/61/05/343796105.db2.gz OAEOBAKWVCRKNV-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1cc(Cl)nc(C=O)n1 126697424 343796204 /nfs/dbraw/zinc/79/62/04/343796204.db2.gz WOUFDCKPZXUHEY-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN C[C@@H]1CC[C@@H](c2nccc(NN)n2)O1 126750827 343796365 /nfs/dbraw/zinc/79/63/65/343796365.db2.gz LIUVMQUZWNGSTH-RQJHMYQMSA-N 0 0 194.238 1.002 10 0 ADAERN C[C@@H]1CC[C@H](c2nccc(NN)n2)O1 126750352 343796462 /nfs/dbraw/zinc/79/64/62/343796462.db2.gz LIUVMQUZWNGSTH-RNFRBKRXSA-N 0 0 194.238 1.002 10 0 ADAERN O=C([O-])/C=C1/CC[N@@H+]2CCC[C@@H]2C1 126736116 343796634 /nfs/dbraw/zinc/79/66/34/343796634.db2.gz JDIQTDOMBYIYBJ-UFGYOYAJSA-N 0 0 181.235 1.256 10 0 ADAERN C[C@H]1CC[C@H](c2nccc(NN)n2)O1 126750594 343796742 /nfs/dbraw/zinc/79/67/42/343796742.db2.gz LIUVMQUZWNGSTH-NKWVEPMBSA-N 0 0 194.238 1.002 10 0 ADAERN C[C@H]1CC[C@@H](c2nccc(NN)n2)O1 126751076 343796846 /nfs/dbraw/zinc/79/68/46/343796846.db2.gz LIUVMQUZWNGSTH-BQBZGAKWSA-N 0 0 194.238 1.002 10 0 ADAERN O=C([O-])/C=C1/CC[N@@H+]2CCC[C@H]2C1 126736359 343796873 /nfs/dbraw/zinc/79/68/73/343796873.db2.gz JDIQTDOMBYIYBJ-FUOZMLNRSA-N 0 0 181.235 1.256 10 0 ADAERN C[C@@H]1CN[C@H](c2cscn2)S1 126782617 343797074 /nfs/dbraw/zinc/79/70/74/343797074.db2.gz GYLRCGLKSIWWHN-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@@H]1CS[C@H](c2cscn2)N1 126785387 343797095 /nfs/dbraw/zinc/79/70/95/343797095.db2.gz VDNGOOOYBURXOI-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN CSCC[C@H](NN)C(C)C 126796817 343797124 /nfs/dbraw/zinc/79/71/24/343797124.db2.gz BEPLTBCGNDKCBV-ZETCQYMHSA-N 0 0 162.302 1.227 10 0 ADAERN c1nc([C@H]2NCCCS2)cs1 126788028 343797139 /nfs/dbraw/zinc/79/71/39/343797139.db2.gz ODCDGEQTLDCWMJ-ZETCQYMHSA-N 0 0 186.305 1.868 10 0 ADAERN C[C@H]1CN[C@H](c2cscn2)S1 126782846 343797145 /nfs/dbraw/zinc/79/71/45/343797145.db2.gz GYLRCGLKSIWWHN-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN Cc1nn(C)c(C)c1[C@@H](NN)C(C)C 126779121 343797195 /nfs/dbraw/zinc/79/71/95/343797195.db2.gz QMVKPSLKVIRKMO-JTQLQIEISA-N 0 0 196.298 1.197 10 0 ADAERN C[C@H]1CS[C@@H](c2cscn2)N1 126786106 343797212 /nfs/dbraw/zinc/79/72/12/343797212.db2.gz VDNGOOOYBURXOI-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CS[C@H](c2cscn2)N1 126785646 343797259 /nfs/dbraw/zinc/79/72/59/343797259.db2.gz VDNGOOOYBURXOI-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN Cc1nc([C@H]2NCCS2)cs1 126780547 343797278 /nfs/dbraw/zinc/79/72/78/343797278.db2.gz WHGSSMUZOGPCPK-ZETCQYMHSA-N 0 0 186.305 1.787 10 0 ADAERN c1nc([C@@H]2NCCS2)cs1 126780808 343797292 /nfs/dbraw/zinc/79/72/92/343797292.db2.gz WUPSMUNPYOOIQG-ZCFIWIBFSA-N 0 0 172.278 1.478 10 0 ADAERN CSCC[C@@H](NN)C(C)C 126796569 343797310 /nfs/dbraw/zinc/79/73/10/343797310.db2.gz BEPLTBCGNDKCBV-SSDOTTSWSA-N 0 0 162.302 1.227 10 0 ADAERN Cc1cc([C@H](NN)C(C)C)co1 126806951 343797350 /nfs/dbraw/zinc/79/73/50/343797350.db2.gz QCZFSMRKRRQSLS-SECBINFHSA-N 0 0 168.240 1.748 10 0 ADAERN C[C@H]1CN[C@@H](c2cscn2)S1 126783334 343797381 /nfs/dbraw/zinc/79/73/81/343797381.db2.gz GYLRCGLKSIWWHN-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN Cc1nc([C@@H]2NCCS2)cs1 126780358 343797393 /nfs/dbraw/zinc/79/73/93/343797393.db2.gz WHGSSMUZOGPCPK-SSDOTTSWSA-N 0 0 186.305 1.787 10 0 ADAERN c1nc([C@@H]2NCCCS2)cs1 126787797 343797398 /nfs/dbraw/zinc/79/73/98/343797398.db2.gz ODCDGEQTLDCWMJ-SSDOTTSWSA-N 0 0 186.305 1.868 10 0 ADAERN c1nc([C@H]2NCCS2)cs1 126781041 343797427 /nfs/dbraw/zinc/79/74/27/343797427.db2.gz WUPSMUNPYOOIQG-LURJTMIESA-N 0 0 172.278 1.478 10 0 ADAERN C[C@@H]1CS[C@@H](c2cscn2)N1 126785890 343797468 /nfs/dbraw/zinc/79/74/68/343797468.db2.gz VDNGOOOYBURXOI-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN Cc1nn(C)c(C)c1[C@H](NN)C(C)C 126778873 343797484 /nfs/dbraw/zinc/79/74/84/343797484.db2.gz QMVKPSLKVIRKMO-SNVBAGLBSA-N 0 0 196.298 1.197 10 0 ADAERN C[C@@H]1CN[C@@H](c2cscn2)S1 126783078 343797538 /nfs/dbraw/zinc/79/75/38/343797538.db2.gz GYLRCGLKSIWWHN-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN Cn1cnnc1C(C)(C)C 126817764 343798155 /nfs/dbraw/zinc/79/81/55/343798155.db2.gz CAGCXAKEJGNJRJ-UHFFFAOYSA-N 0 0 139.202 1.113 10 0 ADAERN CC(C)C[C@@H](C)NO 126854961 343798384 /nfs/dbraw/zinc/79/83/84/343798384.db2.gz IMSGJFSECOPMQA-ZCFIWIBFSA-N 0 0 117.192 1.400 10 0 ADAERN CC(C)C[C@H](C)NO 126855168 343798433 /nfs/dbraw/zinc/79/84/33/343798433.db2.gz IMSGJFSECOPMQA-LURJTMIESA-N 0 0 117.192 1.400 10 0 ADAERN CC(C)[C@H](NN)[C@@H]1CCSC1 126850256 343798567 /nfs/dbraw/zinc/79/85/67/343798567.db2.gz LSNWKRCNPHQHJJ-SFYZADRCSA-N 0 0 174.313 1.227 10 0 ADAERN CC(C)[C@H](NN)[C@H]1CCSC1 126850649 343798586 /nfs/dbraw/zinc/79/85/86/343798586.db2.gz LSNWKRCNPHQHJJ-YUMQZZPRSA-N 0 0 174.313 1.227 10 0 ADAERN Cc1nc(-c2nc(CO)c[nH]2)cs1 126860950 343798668 /nfs/dbraw/zinc/79/86/68/343798668.db2.gz PSNSDBLPMIASFS-UHFFFAOYSA-N 0 0 195.247 1.334 10 0 ADAERN CC(C)[C@@H](NN)[C@H]1CCSC1 126850850 343798694 /nfs/dbraw/zinc/79/86/94/343798694.db2.gz LSNWKRCNPHQHJJ-JGVFFNPUSA-N 0 0 174.313 1.227 10 0 ADAERN CC(C)[C@@H](NN)[C@@H]1CCSC1 126850455 343798700 /nfs/dbraw/zinc/79/87/00/343798700.db2.gz LSNWKRCNPHQHJJ-HTQZYQBOSA-N 0 0 174.313 1.227 10 0 ADAERN CC[C@H](NN)c1csc(C)n1 126885582 343798976 /nfs/dbraw/zinc/79/89/76/343798976.db2.gz NPNSHDMDOHLWOL-LURJTMIESA-N 0 0 171.269 1.366 10 0 ADAERN COc1cccc(N(C)C)c1C(C)=O 126877622 343798981 /nfs/dbraw/zinc/79/89/81/343798981.db2.gz XZQZZDPWRRJESD-UHFFFAOYSA-N 0 0 193.246 1.964 10 0 ADAERN CC[C@H](NN)C1(C)CCCC1 126868603 343799048 /nfs/dbraw/zinc/79/90/48/343799048.db2.gz MMKFAHABTJKBIH-QMMMGPOBSA-N 0 0 156.273 1.809 10 0 ADAERN CC[C@@H](NN)C1(C)CCCC1 126868850 343799081 /nfs/dbraw/zinc/79/90/81/343799081.db2.gz MMKFAHABTJKBIH-MRVPVSSYSA-N 0 0 156.273 1.809 10 0 ADAERN CC[C@@H](NN)c1csc(C)n1 126885809 343799136 /nfs/dbraw/zinc/79/91/36/343799136.db2.gz NPNSHDMDOHLWOL-ZCFIWIBFSA-N 0 0 171.269 1.366 10 0 ADAERN COc1cccc(F)c1[C@@H](C)NO 126872157 343799208 /nfs/dbraw/zinc/79/92/08/343799208.db2.gz CNAWWKNOOBSTCK-ZCFIWIBFSA-N 0 0 185.198 1.874 10 0 ADAERN C[C@@H](NO)c1ccc(O)cc1 126876671 343799222 /nfs/dbraw/zinc/79/92/22/343799222.db2.gz UZMPMNPHRXBCLS-ZCFIWIBFSA-N 0 0 153.181 1.432 10 0 ADAERN COc1cccc(F)c1[C@H](C)NO 126871931 343799252 /nfs/dbraw/zinc/79/92/52/343799252.db2.gz CNAWWKNOOBSTCK-LURJTMIESA-N 0 0 185.198 1.874 10 0 ADAERN C[C@H](NO)c1ccc(O)cc1 126876465 343799255 /nfs/dbraw/zinc/79/92/55/343799255.db2.gz UZMPMNPHRXBCLS-LURJTMIESA-N 0 0 153.181 1.432 10 0 ADAERN CC[C@H](NN)c1scnc1C 126867639 343799268 /nfs/dbraw/zinc/79/92/68/343799268.db2.gz ZNUPKJAUHPZUCW-LURJTMIESA-N 0 0 171.269 1.366 10 0 ADAERN CC[C@@H](NN)c1scnc1C 126867820 343799296 /nfs/dbraw/zinc/79/92/96/343799296.db2.gz ZNUPKJAUHPZUCW-ZCFIWIBFSA-N 0 0 171.269 1.366 10 0 ADAERN CC[C@H](NN)C(C)(C)CC 126910794 343799515 /nfs/dbraw/zinc/79/95/15/343799515.db2.gz SBZONOVEFZOZBF-ZETCQYMHSA-N 0 0 144.262 1.665 10 0 ADAERN CC[C@H](NN)c1ccc(C)o1 126891756 343799773 /nfs/dbraw/zinc/79/97/73/343799773.db2.gz OBZXPULXWNTKFH-ZETCQYMHSA-N 0 0 154.213 1.502 10 0 ADAERN CC[C@@H](NN)c1ccc(C)o1 126891975 343799827 /nfs/dbraw/zinc/79/98/27/343799827.db2.gz OBZXPULXWNTKFH-SSDOTTSWSA-N 0 0 154.213 1.502 10 0 ADAERN COc1cccc(N(C)C)c1[C@H](C)O 126922919 343800234 /nfs/dbraw/zinc/80/02/34/343800234.db2.gz PZKSHNALLOJOJP-QMMMGPOBSA-N 0 0 195.262 1.815 10 0 ADAERN CCCc1nc2c([nH]1)[C@@H]([NH3+])CCC2 126923448 343800299 /nfs/dbraw/zinc/80/02/99/343800299.db2.gz RBKKZXRGEPSATJ-ZETCQYMHSA-N 0 0 179.267 1.698 10 0 ADAERN COc1cccc(N(C)C)c1[C@@H](C)O 126923190 343800334 /nfs/dbraw/zinc/80/03/34/343800334.db2.gz PZKSHNALLOJOJP-MRVPVSSYSA-N 0 0 195.262 1.815 10 0 ADAERN CSc1nc(N)nc([C@H]2C[C@@H]2C)n1 126949506 343800791 /nfs/dbraw/zinc/80/07/91/343800791.db2.gz HXNGRCVNQSHHCB-WHFBIAKZSA-N 0 0 196.279 1.299 10 0 ADAERN Cc1nc([C@@H]2CO2)cs1 126943825 343800879 /nfs/dbraw/zinc/80/08/79/343800879.db2.gz RQQHZQQTHMRTNG-LURJTMIESA-N 0 0 141.195 1.523 10 0 ADAERN C[C@H]1CCCN(C(=O)N(C)C2CC2)C1 126945535 343800882 /nfs/dbraw/zinc/80/08/82/343800882.db2.gz XOJGVPKNYMTSST-VIFPVBQESA-N 0 0 196.294 1.933 10 0 ADAERN Cc1nc([C@H]2CO2)cs1 126944036 343800892 /nfs/dbraw/zinc/80/08/92/343800892.db2.gz RQQHZQQTHMRTNG-ZCFIWIBFSA-N 0 0 141.195 1.523 10 0 ADAERN CSc1nc(N)nc([C@H]2C[C@H]2C)n1 126949346 343800894 /nfs/dbraw/zinc/80/08/94/343800894.db2.gz HXNGRCVNQSHHCB-UHNVWZDZSA-N 0 0 196.279 1.299 10 0 ADAERN CSc1nc(N)nc([C@@H]2C[C@@H]2C)n1 126949882 343800917 /nfs/dbraw/zinc/80/09/17/343800917.db2.gz HXNGRCVNQSHHCB-CRCLSJGQSA-N 0 0 196.279 1.299 10 0 ADAERN C[C@@H]1CCCN(C(=O)N(C)C2CC2)C1 126945303 343800954 /nfs/dbraw/zinc/80/09/54/343800954.db2.gz XOJGVPKNYMTSST-SECBINFHSA-N 0 0 196.294 1.933 10 0 ADAERN CSc1nc(N)nc([C@@H]2C[C@H]2C)n1 126949690 343800960 /nfs/dbraw/zinc/80/09/60/343800960.db2.gz HXNGRCVNQSHHCB-RFZPGFLSSA-N 0 0 196.279 1.299 10 0 ADAERN Cc1nc([C@H]2CC(=O)N2)cs1 126971416 343801328 /nfs/dbraw/zinc/80/13/28/343801328.db2.gz FHMCJVDKDITJOD-RXMQYKEDSA-N 0 0 168.221 1.013 10 0 ADAERN CC[C@H](C)c1nc(N)nc(SC)n1 126962861 343801333 /nfs/dbraw/zinc/80/13/33/343801333.db2.gz LLRQLNWQQDLCED-YFKPBYRVSA-N 0 0 198.295 1.689 10 0 ADAERN CC[C@@H](C)c1nc(N)nc(SC)n1 126962625 343801393 /nfs/dbraw/zinc/80/13/93/343801393.db2.gz LLRQLNWQQDLCED-RXMQYKEDSA-N 0 0 198.295 1.689 10 0 ADAERN Cc1nc([C@@H]2CC(=O)N2)cs1 126971197 343801425 /nfs/dbraw/zinc/80/14/25/343801425.db2.gz FHMCJVDKDITJOD-YFKPBYRVSA-N 0 0 168.221 1.013 10 0 ADAERN Cc1nc([C@H]2CNC(=O)C2)cs1 127000205 343801847 /nfs/dbraw/zinc/80/18/47/343801847.db2.gz KIHDVLZQTPDJKW-ZCFIWIBFSA-N 0 0 182.248 1.055 10 0 ADAERN CSc1nc(N)nc(C2CCC2)n1 126989423 343802250 /nfs/dbraw/zinc/80/22/50/343802250.db2.gz QEFJUKWQBASGCG-UHFFFAOYSA-N 0 0 196.279 1.443 10 0 ADAERN CC[C@H]1NC(=O)C[C@H]1c1cscn1 127006144 343802471 /nfs/dbraw/zinc/80/24/71/343802471.db2.gz SFKMEVZVYZRTGW-RNFRBKRXSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1c1cscn1 127003586 343802510 /nfs/dbraw/zinc/80/25/10/343802510.db2.gz QGJYJWXBDWFSJQ-NTSWFWBYSA-N 0 0 182.248 1.135 10 0 ADAERN CC1(C)NC(=O)C[C@H]1c1cscn1 127004731 343802543 /nfs/dbraw/zinc/80/25/43/343802543.db2.gz JGXZLLSVFBEUKU-LURJTMIESA-N 0 0 196.275 1.525 10 0 ADAERN COc1cccc(F)c1C(=O)CO 127022008 343802562 /nfs/dbraw/zinc/80/25/62/343802562.db2.gz GPNRLMNRRHYWOQ-UHFFFAOYSA-N 0 0 184.166 1.009 10 0 ADAERN Cc1nc([C@@H]2CC(=O)N[C@H]2C)cs1 127002033 343802584 /nfs/dbraw/zinc/80/25/84/343802584.db2.gz LQXJPARSIOBCBM-CAHLUQPWSA-N 0 0 196.275 1.444 10 0 ADAERN CC[C@@H]1NC(=O)C[C@H]1c1cscn1 127006407 343802602 /nfs/dbraw/zinc/80/26/02/343802602.db2.gz SFKMEVZVYZRTGW-RQJHMYQMSA-N 0 0 196.275 1.525 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@H]1c1cscn1 127006940 343802606 /nfs/dbraw/zinc/80/26/06/343802606.db2.gz SFKMEVZVYZRTGW-BQBZGAKWSA-N 0 0 196.275 1.525 10 0 ADAERN Cc1nc([C@@H]2CNC(=O)C2)cs1 127000420 343802629 /nfs/dbraw/zinc/80/26/29/343802629.db2.gz KIHDVLZQTPDJKW-LURJTMIESA-N 0 0 182.248 1.055 10 0 ADAERN C[C@@H]1NC(=O)C[C@@H]1c1cscn1 127004023 343802641 /nfs/dbraw/zinc/80/26/41/343802641.db2.gz QGJYJWXBDWFSJQ-WDSKDSINSA-N 0 0 182.248 1.135 10 0 ADAERN C[C@H]1NC(=O)C[C@H]1c1cscn1 127003378 343802706 /nfs/dbraw/zinc/80/27/06/343802706.db2.gz QGJYJWXBDWFSJQ-PHDIDXHHSA-N 0 0 182.248 1.135 10 0 ADAERN Cc1c(-c2c[nH+]ccc2N)cnn1C 127009170 343802751 /nfs/dbraw/zinc/80/27/51/343802751.db2.gz RMLOBGTVCQIWRD-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nc([C@@H]2CC(=O)N[C@@H]2C)cs1 127001574 343802762 /nfs/dbraw/zinc/80/27/62/343802762.db2.gz LQXJPARSIOBCBM-IYSWYEEDSA-N 0 0 196.275 1.444 10 0 ADAERN CC[C@H]1NC(=O)C[C@@H]1c1cscn1 127006664 343802768 /nfs/dbraw/zinc/80/27/68/343802768.db2.gz SFKMEVZVYZRTGW-NKWVEPMBSA-N 0 0 196.275 1.525 10 0 ADAERN CC1(C)NC(=O)C[C@@H]1c1cscn1 127004956 343802786 /nfs/dbraw/zinc/80/27/86/343802786.db2.gz JGXZLLSVFBEUKU-ZCFIWIBFSA-N 0 0 196.275 1.525 10 0 ADAERN Cc1nc([C@H]2CC(=O)N[C@@H]2C)cs1 127001798 343802788 /nfs/dbraw/zinc/80/27/88/343802788.db2.gz LQXJPARSIOBCBM-VDTYLAMSSA-N 0 0 196.275 1.444 10 0 ADAERN Cc1nc([C@H]2CC(=O)N[C@H]2C)cs1 127002268 343802789 /nfs/dbraw/zinc/80/27/89/343802789.db2.gz LQXJPARSIOBCBM-FSPLSTOPSA-N 0 0 196.275 1.444 10 0 ADAERN C[C@H]1NC(=O)C[C@@H]1c1cscn1 127003791 343802806 /nfs/dbraw/zinc/80/28/06/343802806.db2.gz QGJYJWXBDWFSJQ-RITPCOANSA-N 0 0 182.248 1.135 10 0 ADAERN COc1cccc(F)c1C(=O)C=O 127022225 343803373 /nfs/dbraw/zinc/80/33/73/343803373.db2.gz CFFHIPHJJZMACX-UHFFFAOYSA-N 0 0 182.150 1.216 10 0 ADAERN NN[C@H](C1CCCC1)[C@H]1CCCCO1 127079185 343803682 /nfs/dbraw/zinc/80/36/82/343803682.db2.gz UWJRMQUCZIXYCN-GHMZBOCLSA-N 0 0 198.310 1.578 10 0 ADAERN NN[C@H](c1cnsn1)C1CCCC1 127072204 343803593 /nfs/dbraw/zinc/80/35/93/343803593.db2.gz AOLXFFOJNPGGPQ-QMMMGPOBSA-N 0 0 198.295 1.233 10 0 ADAERN NNC[C@@H]1CCC[C@@H](C(F)(F)F)C1 127061485 343803656 /nfs/dbraw/zinc/80/36/56/343803656.db2.gz SQTYYQPXCLVZFO-RNFRBKRXSA-N 0 0 196.216 1.818 10 0 ADAERN NNCC1CCC(C(F)(F)F)CC1 127061021 343803607 /nfs/dbraw/zinc/80/36/07/343803607.db2.gz SUJCUICSCYYJCG-UHFFFAOYSA-N 0 0 196.216 1.818 10 0 ADAERN C[C@@H](CNC#N)c1ccccc1 127076246 343803734 /nfs/dbraw/zinc/80/37/34/343803734.db2.gz HPPLRSJRXYHKJQ-VIFPVBQESA-N 0 0 160.220 1.861 10 0 ADAERN NN[C@@H](c1cnsn1)C1CCCC1 127071999 343803785 /nfs/dbraw/zinc/80/37/85/343803785.db2.gz AOLXFFOJNPGGPQ-MRVPVSSYSA-N 0 0 198.295 1.233 10 0 ADAERN C[C@H](CNC#N)c1ccccc1 127076449 343803803 /nfs/dbraw/zinc/80/38/03/343803803.db2.gz HPPLRSJRXYHKJQ-SECBINFHSA-N 0 0 160.220 1.861 10 0 ADAERN NN[C@H](C1CCCC1)[C@@H]1CCCCO1 127078720 343803855 /nfs/dbraw/zinc/80/38/55/343803855.db2.gz UWJRMQUCZIXYCN-WDEREUQCSA-N 0 0 198.310 1.578 10 0 ADAERN NNC[C@H]1CCC[C@H](C(F)(F)F)C1 127061706 343803857 /nfs/dbraw/zinc/80/38/57/343803857.db2.gz SQTYYQPXCLVZFO-BQBZGAKWSA-N 0 0 196.216 1.818 10 0 ADAERN NN[C@@H](C1CCCC1)[C@@H]1CCCCO1 127078514 343803891 /nfs/dbraw/zinc/80/38/91/343803891.db2.gz UWJRMQUCZIXYCN-QWRGUYRKSA-N 0 0 198.310 1.578 10 0 ADAERN COC(=O)Nc1ccc(N)c(F)c1 127064380 343803900 /nfs/dbraw/zinc/80/39/00/343803900.db2.gz CPQCLLSOXGMBRD-UHFFFAOYSA-N 0 0 184.170 1.586 10 0 ADAERN CC1CN(c2ccc(N)c(F)c2)C1 127085269 343804273 /nfs/dbraw/zinc/80/42/73/343804273.db2.gz CPUGNINKOJVZJV-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN CN(c1ncccc1N)C1CCC1 127116996 343804312 /nfs/dbraw/zinc/80/43/12/343804312.db2.gz VNUORFZCIVJUQP-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN Nc1ccc(N2CC=CC2)cc1F 127088132 343804325 /nfs/dbraw/zinc/80/43/25/343804325.db2.gz WYKMOBNZRRGTBT-UHFFFAOYSA-N 0 0 178.210 1.784 10 0 ADAERN C[C@@H]1NCC(=O)N1[C@H](C)C1CCCC1 127093422 343804356 /nfs/dbraw/zinc/80/43/56/343804356.db2.gz AHRLNUXWFWQVQA-RKDXNWHRSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H](C1CCCC1)N1C(=O)CN[C@H]1C 127092916 343804379 /nfs/dbraw/zinc/80/43/79/343804379.db2.gz AHRLNUXWFWQVQA-DTWKUNHWSA-N 0 0 196.294 1.343 10 0 ADAERN CN(c1ncc(N)cn1)C1CCC1 127113687 343804394 /nfs/dbraw/zinc/80/43/94/343804394.db2.gz BVGLQMCTPALEEQ-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN C[C@H]1NCC(=O)N1[C@H](C)C1CCCC1 127093663 343804490 /nfs/dbraw/zinc/80/44/90/343804490.db2.gz AHRLNUXWFWQVQA-BDAKNGLRSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@H]1NCC(=O)N1[C@@H](C)C1CCCC1 127093167 343804495 /nfs/dbraw/zinc/80/44/95/343804495.db2.gz AHRLNUXWFWQVQA-IUCAKERBSA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@@H](C)Nc1nn(C)cc1C[NH3+] 127138468 343804783 /nfs/dbraw/zinc/80/47/83/343804783.db2.gz SLWJTADUYWYXCB-SSDOTTSWSA-N 0 0 182.271 1.089 10 0 ADAERN CC[C@H](C)Nc1nn(C)cc1C[NH3+] 127138678 343804928 /nfs/dbraw/zinc/80/49/28/343804928.db2.gz SLWJTADUYWYXCB-ZETCQYMHSA-N 0 0 182.271 1.089 10 0 ADAERN Cc1cc(N(C)C2CCC2)[nH+]cc1N 127128788 343804951 /nfs/dbraw/zinc/80/49/51/343804951.db2.gz HDEGZABTUJFRNO-UHFFFAOYSA-N 0 0 191.278 1.961 10 0 ADAERN CN(c1ncccc1C[NH3+])C1CCC1 127139060 343805035 /nfs/dbraw/zinc/80/50/35/343805035.db2.gz DNKMSDBGNJGNRS-UHFFFAOYSA-N 0 0 191.278 1.529 10 0 ADAERN CN(c1ncncc1N)C1CCC1 127133361 343805124 /nfs/dbraw/zinc/80/51/24/343805124.db2.gz VVZQGVONCWWVAM-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN CN(c1ccc(N)c(N)[nH+]1)C1CCC1 127135335 343805148 /nfs/dbraw/zinc/80/51/48/343805148.db2.gz AEBOANDOUBAHHA-UHFFFAOYSA-N 0 0 192.266 1.235 10 0 ADAERN OC[C@H]1C[C@@H]1c1cscn1 127157141 343805365 /nfs/dbraw/zinc/80/53/65/343805365.db2.gz IZINLOXIEVBHSX-RITPCOANSA-N 0 0 155.222 1.239 10 0 ADAERN Cc1ccc([C@H](C)NN)c(C)n1 127162696 343805368 /nfs/dbraw/zinc/80/53/68/343805368.db2.gz LZASSMNJEVMFSC-QMMMGPOBSA-N 0 0 165.240 1.223 10 0 ADAERN Cc1cc([C@@H](C)NN)sc1C 127161075 343805376 /nfs/dbraw/zinc/80/53/76/343805376.db2.gz KQQAFSRMFPEAOX-ZCFIWIBFSA-N 0 0 170.281 1.889 10 0 ADAERN C[C@H]1C[C@@H]1CNc1cccnn1 127164787 343805378 /nfs/dbraw/zinc/80/53/78/343805378.db2.gz KLJUICPBCOIVED-JGVFFNPUSA-N 0 0 163.224 1.545 10 0 ADAERN C[C@@H](NN)c1ccnc2ccccc12 127155125 343805381 /nfs/dbraw/zinc/80/53/81/343805381.db2.gz ZRIKPUCGNPEIQI-MRVPVSSYSA-N 0 0 187.246 1.759 10 0 ADAERN O=C1CC(=O)CC(c2cscn2)C1 127155741 343805394 /nfs/dbraw/zinc/80/53/94/343805394.db2.gz VPSBIRQPAYIEAA-UHFFFAOYSA-N 0 0 195.243 1.549 10 0 ADAERN CCC(C)(C)Nc1nccn(C)c1=O 127160793 343805476 /nfs/dbraw/zinc/80/54/76/343805476.db2.gz CQPRGFIYFWXOHL-UHFFFAOYSA-N 0 0 195.266 1.381 10 0 ADAERN COc1cc([C@H](C)NN)ccc1C 127151343 343805538 /nfs/dbraw/zinc/80/55/38/343805538.db2.gz XXODGZQKVGPTMX-QMMMGPOBSA-N 0 0 180.251 1.528 10 0 ADAERN Cc1nccc(NC[C@@H]2C[C@@H]2C)n1 127165457 343805530 /nfs/dbraw/zinc/80/55/30/343805530.db2.gz BEVNMGMDMHOQEL-CBAPKCEASA-N 0 0 177.251 1.853 10 0 ADAERN CCc1ccsc1[C@H](C)NN 127158065 343805580 /nfs/dbraw/zinc/80/55/80/343805580.db2.gz HBKAFBKGLXGJJP-LURJTMIESA-N 0 0 170.281 1.835 10 0 ADAERN Cc1ccc([C@@H](C)NN)c(C)n1 127162473 343805582 /nfs/dbraw/zinc/80/55/82/343805582.db2.gz LZASSMNJEVMFSC-MRVPVSSYSA-N 0 0 165.240 1.223 10 0 ADAERN C[C@@H]1C[C@H]1CNc1cccnn1 127165015 343805611 /nfs/dbraw/zinc/80/56/11/343805611.db2.gz KLJUICPBCOIVED-SFYZADRCSA-N 0 0 163.224 1.545 10 0 ADAERN Cc1cc([C@H](C)NN)sc1C 127161272 343805636 /nfs/dbraw/zinc/80/56/36/343805636.db2.gz KQQAFSRMFPEAOX-LURJTMIESA-N 0 0 170.281 1.889 10 0 ADAERN OC[C@@H]1C[C@@H]1c1cscn1 127157559 343805643 /nfs/dbraw/zinc/80/56/43/343805643.db2.gz IZINLOXIEVBHSX-WDSKDSINSA-N 0 0 155.222 1.239 10 0 ADAERN C[C@H](NN)c1ccnc2ccccc12 127154897 343805657 /nfs/dbraw/zinc/80/56/57/343805657.db2.gz ZRIKPUCGNPEIQI-QMMMGPOBSA-N 0 0 187.246 1.759 10 0 ADAERN CCc1ccsc1[C@@H](C)NN 127157777 343805664 /nfs/dbraw/zinc/80/56/64/343805664.db2.gz HBKAFBKGLXGJJP-ZCFIWIBFSA-N 0 0 170.281 1.835 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1cccnn1 127164530 343805699 /nfs/dbraw/zinc/80/56/99/343805699.db2.gz KLJUICPBCOIVED-HTQZYQBOSA-N 0 0 163.224 1.545 10 0 ADAERN OC[C@H]1C[C@H]1c1cscn1 127156903 343805718 /nfs/dbraw/zinc/80/57/18/343805718.db2.gz IZINLOXIEVBHSX-PHDIDXHHSA-N 0 0 155.222 1.239 10 0 ADAERN OC[C@@H]1C[C@H]1c1cscn1 127157384 343805740 /nfs/dbraw/zinc/80/57/40/343805740.db2.gz IZINLOXIEVBHSX-NTSWFWBYSA-N 0 0 155.222 1.239 10 0 ADAERN COc1cc([C@@H](C)NN)ccc1C 127151147 343805745 /nfs/dbraw/zinc/80/57/45/343805745.db2.gz XXODGZQKVGPTMX-MRVPVSSYSA-N 0 0 180.251 1.528 10 0 ADAERN C[C@H]1C[C@H]1CNc1cccnn1 127165257 343805755 /nfs/dbraw/zinc/80/57/55/343805755.db2.gz KLJUICPBCOIVED-YUMQZZPRSA-N 0 0 163.224 1.545 10 0 ADAERN c1cnnc(NCc2ccoc2)c1 127171076 343805967 /nfs/dbraw/zinc/80/59/67/343805967.db2.gz BJEYBPPHQNOFIP-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN Cc1nccc(NC[C@H]2C[C@@H]2C)n1 127165693 343806030 /nfs/dbraw/zinc/80/60/30/343806030.db2.gz BEVNMGMDMHOQEL-IONNQARKSA-N 0 0 177.251 1.853 10 0 ADAERN C[C@@H](NN)c1cc2c(s1)CCC2 127173342 343806043 /nfs/dbraw/zinc/80/60/43/343806043.db2.gz VCQISUKUWIZDBS-ZCFIWIBFSA-N 0 0 182.292 1.761 10 0 ADAERN C[C@H](NN)c1ccc2c(c1)COC2 127168200 343806058 /nfs/dbraw/zinc/80/60/58/343806058.db2.gz QIAXKFLQPWNTEG-ZETCQYMHSA-N 0 0 178.235 1.241 10 0 ADAERN C[C@@H](NN)c1ccc2c(c1)COC2 127168398 343806128 /nfs/dbraw/zinc/80/61/28/343806128.db2.gz QIAXKFLQPWNTEG-SSDOTTSWSA-N 0 0 178.235 1.241 10 0 ADAERN C[C@H](NN)[C@H]1CSc2ccccc21 127180482 343806130 /nfs/dbraw/zinc/80/61/30/343806130.db2.gz CHWCPAUGCXQZSZ-IONNQARKSA-N 0 0 194.303 1.728 10 0 ADAERN Cc1oc(C)c([C@@H](C)NN)c1C 127166031 343806139 /nfs/dbraw/zinc/80/61/39/343806139.db2.gz IKSMYYKGGIUXFV-ZCFIWIBFSA-N 0 0 168.240 1.729 10 0 ADAERN C[C@H](NN)[C@H]1Cc2ccccc2S1 127174982 343806179 /nfs/dbraw/zinc/80/61/79/343806179.db2.gz XPRRXWXXPNWFLY-OIBJUYFYSA-N 0 0 194.303 1.555 10 0 ADAERN C[C@H](CNc1cccnn1)C1CC1 127169460 343806182 /nfs/dbraw/zinc/80/61/82/343806182.db2.gz FCJWUOWTJXXUET-MRVPVSSYSA-N 0 0 177.251 1.935 10 0 ADAERN COCC(C)(C)Nc1ccnc(C)n1 127179658 343806187 /nfs/dbraw/zinc/80/61/87/343806187.db2.gz WUMLITBUGNUOOX-UHFFFAOYSA-N 0 0 195.266 1.622 10 0 ADAERN C[C@@H](NN)C1(C)CCCC1 127165834 343806195 /nfs/dbraw/zinc/80/61/95/343806195.db2.gz AOKRDZMRUAULRM-SSDOTTSWSA-N 0 0 142.246 1.419 10 0 ADAERN C[C@@H](CNc1cccnn1)C1CC1 127169295 343806199 /nfs/dbraw/zinc/80/61/99/343806199.db2.gz FCJWUOWTJXXUET-QMMMGPOBSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1oc(C)c([C@H](C)NN)c1C 127166241 343806202 /nfs/dbraw/zinc/80/62/02/343806202.db2.gz IKSMYYKGGIUXFV-LURJTMIESA-N 0 0 168.240 1.729 10 0 ADAERN Cc1nccc(NC[C@@H]2C[C@H]2C)n1 127165861 343806236 /nfs/dbraw/zinc/80/62/36/343806236.db2.gz BEVNMGMDMHOQEL-APPZFPTMSA-N 0 0 177.251 1.853 10 0 ADAERN C[C@@H](NN)[C@@H]1Cc2ccccc2S1 127174717 343806251 /nfs/dbraw/zinc/80/62/51/343806251.db2.gz XPRRXWXXPNWFLY-XCBNKYQSSA-N 0 0 194.303 1.555 10 0 ADAERN C[C@H](NN)[C@@H]1Cc2ccccc2S1 127174506 343806254 /nfs/dbraw/zinc/80/62/54/343806254.db2.gz XPRRXWXXPNWFLY-XVKPBYJWSA-N 0 0 194.303 1.555 10 0 ADAERN C[C@H](NN)c1cc2c(s1)CCC2 127173129 343806269 /nfs/dbraw/zinc/80/62/69/343806269.db2.gz VCQISUKUWIZDBS-LURJTMIESA-N 0 0 182.292 1.761 10 0 ADAERN c1cnnc(NC2CCSCC2)c1 127177429 343806279 /nfs/dbraw/zinc/80/62/79/343806279.db2.gz SCYOFVNQUAGWAR-UHFFFAOYSA-N 0 0 195.291 1.784 10 0 ADAERN Cc1noc(CC(=O)C2CCCC2)n1 127166149 343806317 /nfs/dbraw/zinc/80/63/17/343806317.db2.gz UVCVSJDCDUQRRN-UHFFFAOYSA-N 0 0 194.234 1.680 10 0 ADAERN C[C@H](NN)[C@@H]1CSc2ccccc21 127180040 343806322 /nfs/dbraw/zinc/80/63/22/343806322.db2.gz CHWCPAUGCXQZSZ-CBAPKCEASA-N 0 0 194.303 1.728 10 0 ADAERN C[C@@H](NN)[C@H]1Cc2ccccc2S1 127175203 343806329 /nfs/dbraw/zinc/80/63/29/343806329.db2.gz XPRRXWXXPNWFLY-GMSGAONNSA-N 0 0 194.303 1.555 10 0 ADAERN Cc1nccc(NC[C@H]2C[C@H]2C)n1 127166001 343806331 /nfs/dbraw/zinc/80/63/31/343806331.db2.gz BEVNMGMDMHOQEL-VXNVDRBHSA-N 0 0 177.251 1.853 10 0 ADAERN C[C@@H](NN)[C@@H]1CSc2ccccc21 127180279 343806353 /nfs/dbraw/zinc/80/63/53/343806353.db2.gz CHWCPAUGCXQZSZ-APPZFPTMSA-N 0 0 194.303 1.728 10 0 ADAERN C[C@H](NN)C1(C)CCCC1 127165647 343806365 /nfs/dbraw/zinc/80/63/65/343806365.db2.gz AOKRDZMRUAULRM-ZETCQYMHSA-N 0 0 142.246 1.419 10 0 ADAERN C[C@@H](NN)[C@H]1CSc2ccccc21 127180728 343806376 /nfs/dbraw/zinc/80/63/76/343806376.db2.gz CHWCPAUGCXQZSZ-VXNVDRBHSA-N 0 0 194.303 1.728 10 0 ADAERN C[C@@]1(Cc2cscn2)CCC(=O)N1 127189585 343806697 /nfs/dbraw/zinc/80/66/97/343806697.db2.gz DZJCWLUPJHGDCT-VIFPVBQESA-N 0 0 196.275 1.354 10 0 ADAERN C[C@@H](O)/C=C/c1cscn1 127185591 343806702 /nfs/dbraw/zinc/80/67/02/343806702.db2.gz MXNQSLOONMGSNT-YRFDSLTASA-N 0 0 155.222 1.537 10 0 ADAERN C[C@H](NN)c1c(F)cc(F)cc1F 127197885 343806707 /nfs/dbraw/zinc/80/67/07/343806707.db2.gz OYRCIPFHEICAAW-BYPYZUCNSA-N 0 0 190.168 1.628 10 0 ADAERN Cc1cc([C@H](C)NN)co1 127194309 343806724 /nfs/dbraw/zinc/80/67/24/343806724.db2.gz IQFAZMFBAQMMJU-LURJTMIESA-N 0 0 140.186 1.112 10 0 ADAERN O=C1CCCc2nc(CO)sc21 127193287 343806732 /nfs/dbraw/zinc/80/67/32/343806732.db2.gz QHQXOPXKBIYSME-UHFFFAOYSA-N 0 0 183.232 1.154 10 0 ADAERN CSC[C@H](C)Nc1cccnn1 127201520 343806753 /nfs/dbraw/zinc/80/67/53/343806753.db2.gz GLASXBBIQGDEHI-ZETCQYMHSA-N 0 0 183.280 1.640 10 0 ADAERN CCC1([C@@H](C)NN)CCCC1 127192579 343806756 /nfs/dbraw/zinc/80/67/56/343806756.db2.gz ZNDOOJPAQYCXDG-MRVPVSSYSA-N 0 0 156.273 1.809 10 0 ADAERN C[C@]1(Cc2cscn2)CCC(=O)N1 127189362 343806777 /nfs/dbraw/zinc/80/67/77/343806777.db2.gz DZJCWLUPJHGDCT-SECBINFHSA-N 0 0 196.275 1.354 10 0 ADAERN CSC[C@@H](C)Nc1cccnn1 127201757 343806786 /nfs/dbraw/zinc/80/67/86/343806786.db2.gz GLASXBBIQGDEHI-SSDOTTSWSA-N 0 0 183.280 1.640 10 0 ADAERN C[C@@H](NN)c1ccncc1Cl 127202320 343806791 /nfs/dbraw/zinc/80/67/91/343806791.db2.gz XQKOYSQUWKEYSY-RXMQYKEDSA-N 0 0 171.631 1.259 10 0 ADAERN O=C1CCCc2sc(CO)nc21 127195235 343806816 /nfs/dbraw/zinc/80/68/16/343806816.db2.gz UZQZUUPSBNWMHQ-UHFFFAOYSA-N 0 0 183.232 1.154 10 0 ADAERN Cc1ccc(NCC[S@](C)=O)nc1 127192524 343806820 /nfs/dbraw/zinc/80/68/20/343806820.db2.gz RRSUSAZBFNTYPH-CYBMUJFWSA-N 0 0 198.291 1.180 10 0 ADAERN C[C@H](NN)C1CCC(F)(F)CC1 127202563 343806837 /nfs/dbraw/zinc/80/68/37/343806837.db2.gz UMWGGUJAITWJTA-LURJTMIESA-N 0 0 178.226 1.664 10 0 ADAERN C/C=C/CCNc1cccnn1 127191099 343806848 /nfs/dbraw/zinc/80/68/48/343806848.db2.gz YFEWRJVWVZYIFP-NSCUHMNNSA-N 0 0 163.224 1.855 10 0 ADAERN CSc1ccccc1[C@H](C)NN 127184644 343806881 /nfs/dbraw/zinc/80/68/81/343806881.db2.gz CINWIDHLMGTZNR-ZETCQYMHSA-N 0 0 182.292 1.933 10 0 ADAERN Cc1ccc(NCC[S@@](C)=O)nc1 127192753 343806890 /nfs/dbraw/zinc/80/68/90/343806890.db2.gz RRSUSAZBFNTYPH-ZDUSSCGKSA-N 0 0 198.291 1.180 10 0 ADAERN CSc1ccccc1[C@@H](C)NN 127184844 343806926 /nfs/dbraw/zinc/80/69/26/343806926.db2.gz CINWIDHLMGTZNR-SSDOTTSWSA-N 0 0 182.292 1.933 10 0 ADAERN C[C@H](O)/C=C/c1cscn1 127185373 343806944 /nfs/dbraw/zinc/80/69/44/343806944.db2.gz MXNQSLOONMGSNT-SZKDQXIBSA-N 0 0 155.222 1.537 10 0 ADAERN CC(C)[C@@H](C)[C@@H](C)NN 127208532 343807395 /nfs/dbraw/zinc/80/73/95/343807395.db2.gz PUAORXKETSAYFK-RNFRBKRXSA-N 0 0 130.235 1.130 10 0 ADAERN C[C@H](NN)[C@@]1(C)CCCS1 127219650 343807400 /nfs/dbraw/zinc/80/74/00/343807400.db2.gz QHNWCOQVOWNGOV-NKWVEPMBSA-N 0 0 160.286 1.124 10 0 ADAERN Cc1cc([C@@H](C)NN)c(F)cc1F 127206232 343807419 /nfs/dbraw/zinc/80/74/19/343807419.db2.gz TYCSOEYPMRRGRF-ZCFIWIBFSA-N 0 0 186.205 1.798 10 0 ADAERN C[C@@H](NN)C1CCC(F)(F)CC1 127202794 343807430 /nfs/dbraw/zinc/80/74/30/343807430.db2.gz UMWGGUJAITWJTA-ZCFIWIBFSA-N 0 0 178.226 1.664 10 0 ADAERN C[C@@H](NN)[C@@]1(C)CCCS1 127219876 343807454 /nfs/dbraw/zinc/80/74/54/343807454.db2.gz QHNWCOQVOWNGOV-RNFRBKRXSA-N 0 0 160.286 1.124 10 0 ADAERN C[C@@H](Nc1cccnn1)[C@@H]1CCOC1 127236533 343807813 /nfs/dbraw/zinc/80/78/13/343807813.db2.gz VPKJSMBNEYPZMO-RKDXNWHRSA-N 0 0 193.250 1.314 10 0 ADAERN CSC[C@@H](C)Nc1ccc(N)cn1 127227649 343807843 /nfs/dbraw/zinc/80/78/43/343807843.db2.gz IPYLJVCTUKVNQG-SSDOTTSWSA-N 0 0 197.307 1.827 10 0 ADAERN C[C@@H](CC1CCSCC1)NN 127236652 343807926 /nfs/dbraw/zinc/80/79/26/343807926.db2.gz CCIAUGHHTSJIDP-ZETCQYMHSA-N 0 0 174.313 1.372 10 0 ADAERN OCc1nc2c(s1)CCC[C@@H]2O 127223094 343807934 /nfs/dbraw/zinc/80/79/34/343807934.db2.gz GKPLSOCIDPMFDH-YFKPBYRVSA-N 0 0 185.248 1.005 10 0 ADAERN OCc1nc2c(s1)CCC[C@H]2O 127222883 343807940 /nfs/dbraw/zinc/80/79/40/343807940.db2.gz GKPLSOCIDPMFDH-RXMQYKEDSA-N 0 0 185.248 1.005 10 0 ADAERN C[C@H](Nc1cccnn1)[C@@H]1CCOC1 127236318 343807942 /nfs/dbraw/zinc/80/79/42/343807942.db2.gz VPKJSMBNEYPZMO-DTWKUNHWSA-N 0 0 193.250 1.314 10 0 ADAERN C[C@@H](Nc1cccnn1)[C@H]1CCOC1 127236976 343807967 /nfs/dbraw/zinc/80/79/67/343807967.db2.gz VPKJSMBNEYPZMO-BDAKNGLRSA-N 0 0 193.250 1.314 10 0 ADAERN CNC(=O)N(C)c1cccc(F)c1 127248005 343808322 /nfs/dbraw/zinc/80/83/22/343808322.db2.gz CFWMGAPWEHULFP-UHFFFAOYSA-N 0 0 182.198 1.601 10 0 ADAERN COc1csc([C@@H](C)NN)c1 127237769 343808333 /nfs/dbraw/zinc/80/83/33/343808333.db2.gz RHYMUVROJVGLLV-RXMQYKEDSA-N 0 0 172.253 1.281 10 0 ADAERN CNC(=O)N(C)c1ccccc1C 127240656 343808427 /nfs/dbraw/zinc/80/84/27/343808427.db2.gz SGXQPTCGTJXMME-UHFFFAOYSA-N 0 0 178.235 1.771 10 0 ADAERN Nc1ncc(Cc2nccs2)cn1 127242353 343808569 /nfs/dbraw/zinc/80/85/69/343808569.db2.gz IVLQUMWIICBTRS-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN CSC[C@H](C)Nc1cccnc1N 127262624 343808631 /nfs/dbraw/zinc/80/86/31/343808631.db2.gz XLLNUWLHYFWCKA-ZETCQYMHSA-N 0 0 197.307 1.827 10 0 ADAERN CSC[C@@H](C)Nc1cccnc1N 127262848 343808660 /nfs/dbraw/zinc/80/86/60/343808660.db2.gz XLLNUWLHYFWCKA-SSDOTTSWSA-N 0 0 197.307 1.827 10 0 ADAERN CC(C)OC(=O)N[C@@H]1C[C@@H]1C 127272768 343808893 /nfs/dbraw/zinc/80/88/93/343808893.db2.gz JCLHFSVWSJOMII-NKWVEPMBSA-N 0 0 157.213 1.529 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)N1CCCCCC1 127274681 343808894 /nfs/dbraw/zinc/80/88/94/343808894.db2.gz PKZHDGUFRFBOFF-VHSXEESVSA-N 0 0 196.294 1.980 10 0 ADAERN Cn1ccc(CNc2ccnn2C)c1 127289515 343808937 /nfs/dbraw/zinc/80/89/37/343808937.db2.gz IKUKDMCFFBQJOS-UHFFFAOYSA-N 0 0 190.250 1.371 10 0 ADAERN CC(C)OC(=O)N[C@H]1C[C@@H]1C 127272285 343809074 /nfs/dbraw/zinc/80/90/74/343809074.db2.gz JCLHFSVWSJOMII-BQBZGAKWSA-N 0 0 157.213 1.529 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)N1CCCCCC1 127273992 343809078 /nfs/dbraw/zinc/80/90/78/343809078.db2.gz PKZHDGUFRFBOFF-ZJUUUORDSA-N 0 0 196.294 1.980 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)N1CCCCCC1 127274207 343809099 /nfs/dbraw/zinc/80/90/99/343809099.db2.gz PKZHDGUFRFBOFF-UWVGGRQHSA-N 0 0 196.294 1.980 10 0 ADAERN CC(C)OC(=O)NC1CCC1 127271766 343809216 /nfs/dbraw/zinc/80/92/16/343809216.db2.gz OOTKNLICHZEUBG-UHFFFAOYSA-N 0 0 157.213 1.674 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N1CCCCCC1 127274437 343809305 /nfs/dbraw/zinc/80/93/05/343809305.db2.gz PKZHDGUFRFBOFF-NXEZZACHSA-N 0 0 196.294 1.980 10 0 ADAERN CC(C)OC(=O)N[C@@H]1C[C@H]1C 127272521 343809361 /nfs/dbraw/zinc/80/93/61/343809361.db2.gz JCLHFSVWSJOMII-RNFRBKRXSA-N 0 0 157.213 1.529 10 0 ADAERN CC(C)(C)NC(=O)Nc1cnoc1 127324903 343809617 /nfs/dbraw/zinc/80/96/17/343809617.db2.gz LGBVPFNCZAEBSA-UHFFFAOYSA-N 0 0 183.211 1.595 10 0 ADAERN CC(C)NC(=O)Nc1cnoc1 127323542 343809695 /nfs/dbraw/zinc/80/96/95/343809695.db2.gz XLFVOUXHLQNROW-UHFFFAOYSA-N 0 0 169.184 1.205 10 0 ADAERN CCc1nc(C2CCCC2)cc(=O)[nH]1 127328029 343809737 /nfs/dbraw/zinc/80/97/37/343809737.db2.gz OGEOELIVFIALQS-UHFFFAOYSA-N 0 0 192.262 1.990 10 0 ADAERN CCN(CC)C(=O)Nc1cnoc1 127324189 343809772 /nfs/dbraw/zinc/80/97/72/343809772.db2.gz UGSHISFAZHAIFZ-UHFFFAOYSA-N 0 0 183.211 1.548 10 0 ADAERN O=C(Nc1cnoc1)NC1CCC1 127327988 343809811 /nfs/dbraw/zinc/80/98/11/343809811.db2.gz JYIVKUPXTFWEEC-UHFFFAOYSA-N 0 0 181.195 1.349 10 0 ADAERN NC(=S)Cn1cnc2c1CCCC2 127323096 343809891 /nfs/dbraw/zinc/80/98/91/343809891.db2.gz LYUUGAXHNIFYJO-UHFFFAOYSA-N 0 0 195.291 1.048 10 0 ADAERN CCCNC(=O)Nc1cnoc1 127323286 343809969 /nfs/dbraw/zinc/80/99/69/343809969.db2.gz UIEJEHJQFBJEAD-UHFFFAOYSA-N 0 0 169.184 1.206 10 0 ADAERN C[C@@H]1OCC[C@]1(CO)C1CCCC1 127329165 343810238 /nfs/dbraw/zinc/81/02/38/343810238.db2.gz OSQIXIPEHAYEAX-GXSJLCMTSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H]1OCC[C@@]1(CO)C1CC1 127341379 343810286 /nfs/dbraw/zinc/81/02/86/343810286.db2.gz HKTJHSTVWJEAOV-APPZFPTMSA-N 0 0 156.225 1.184 10 0 ADAERN CC(=O)[C@H](C)n1cnc2c1CCCC2 127347237 343810318 /nfs/dbraw/zinc/81/03/18/343810318.db2.gz UDGNNETZFWOJDE-QMMMGPOBSA-N 0 0 192.262 1.912 10 0 ADAERN C[C@@H]1OCC[C@]1(CO)C1CC1 127341191 343810336 /nfs/dbraw/zinc/81/03/36/343810336.db2.gz HKTJHSTVWJEAOV-IONNQARKSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@@H]1OCC[C@@]1(CO)C1CCCC1 127329621 343810370 /nfs/dbraw/zinc/81/03/70/343810370.db2.gz OSQIXIPEHAYEAX-ONGXEEELSA-N 0 0 184.279 1.964 10 0 ADAERN CC(=O)[C@@H](C)n1cnc2c1CCCC2 127347471 343810388 /nfs/dbraw/zinc/81/03/88/343810388.db2.gz UDGNNETZFWOJDE-MRVPVSSYSA-N 0 0 192.262 1.912 10 0 ADAERN C[C@H]1OCC[C@]1(CO)C1CC1 127340953 343810410 /nfs/dbraw/zinc/81/04/10/343810410.db2.gz HKTJHSTVWJEAOV-VXNVDRBHSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@H]1OCC[C@@]1(CO)C1CCCC1 127329399 343810411 /nfs/dbraw/zinc/81/04/11/343810411.db2.gz OSQIXIPEHAYEAX-KOLCDFICSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@@H]1OCC[C@@]1(CO)C1CC1 127341613 343810488 /nfs/dbraw/zinc/81/04/88/343810488.db2.gz HKTJHSTVWJEAOV-CBAPKCEASA-N 0 0 156.225 1.184 10 0 ADAERN CCOCCCn1ccsc1=O 127377882 343810918 /nfs/dbraw/zinc/81/09/18/343810918.db2.gz AGPYOZQICWDAHZ-UHFFFAOYSA-N 0 0 187.264 1.336 10 0 ADAERN C[C@H](O)CCn1cnc2c1CCCC2 127381462 343811130 /nfs/dbraw/zinc/81/11/30/343811130.db2.gz SSQREULSWJDRRX-VIFPVBQESA-N 0 0 194.278 1.533 10 0 ADAERN CSCCCn1ccsc1=O 127369193 343811196 /nfs/dbraw/zinc/81/11/96/343811196.db2.gz HLPJAQWFPCGPGQ-UHFFFAOYSA-N 0 0 189.305 1.663 10 0 ADAERN CCSCCn1ccsc1=O 127373450 343811369 /nfs/dbraw/zinc/81/13/69/343811369.db2.gz HGTSWJXNOMVELX-UHFFFAOYSA-N 0 0 189.305 1.663 10 0 ADAERN COCc1nc2c([nH]1)CCCC2 127445983 343811498 /nfs/dbraw/zinc/81/14/98/343811498.db2.gz RJCNHZPWUZJGQQ-UHFFFAOYSA-N 0 0 166.224 1.435 10 0 ADAERN CN(C)Cc1nc2c([nH]1)CCCC2 127453665 343811563 /nfs/dbraw/zinc/81/15/63/343811563.db2.gz BTXWVUQNLHUQAI-UHFFFAOYSA-N 0 0 179.267 1.350 10 0 ADAERN CCOc1nc2c([nH]1)CCCC2 127456980 343811905 /nfs/dbraw/zinc/81/19/05/343811905.db2.gz BUXADEYIEXYELW-UHFFFAOYSA-N 0 0 166.224 1.687 10 0 ADAERN COC(=O)N[C@@H]1CC[C@@H](C)[C@H]1C 127486287 343812191 /nfs/dbraw/zinc/81/21/91/343812191.db2.gz SONHGGJCWFTYFY-BWZBUEFSSA-N 0 0 171.240 1.777 10 0 ADAERN C[C@@H]1Cc2[nH]c(=O)[nH]c2C[C@H]1C 127496804 343812226 /nfs/dbraw/zinc/81/22/26/343812226.db2.gz GLCKRUFIZZJUQD-PHDIDXHHSA-N 0 0 166.224 1.486 10 0 ADAERN COc1nc2c([nH]1)C[C@@H](C)[C@@H](C)C2 127506939 343812580 /nfs/dbraw/zinc/81/25/80/343812580.db2.gz JEOYEFJVPIPJKB-KNVOCYPGSA-N 0 0 180.251 1.789 10 0 ADAERN CC[C@@H]1CC[C@@H](NC(=O)NC)[C@@H]1C 127504097 343812244 /nfs/dbraw/zinc/81/22/44/343812244.db2.gz YMCZPRCEWHVXRB-IWSPIJDZSA-N 0 0 184.283 1.740 10 0 ADAERN COCc1nc2c([nH]1)CCC[C@H]2C 127473708 343812261 /nfs/dbraw/zinc/81/22/61/343812261.db2.gz BMSHFIXQSIAXCM-SSDOTTSWSA-N 0 0 180.251 1.996 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)[nH]c2C[C@H]1C 127496317 343812277 /nfs/dbraw/zinc/81/22/77/343812277.db2.gz GLCKRUFIZZJUQD-OLQVQODUSA-N 0 0 166.224 1.486 10 0 ADAERN C[C@@H]1CCCc2[nH]cnc21 127465330 343812388 /nfs/dbraw/zinc/81/23/88/343812388.db2.gz XZXBCQVPLQCINV-ZCFIWIBFSA-N 0 0 136.198 1.850 10 0 ADAERN COc1nc2c([nH]1)[C@@H](C)CCC2 127481579 343812409 /nfs/dbraw/zinc/81/24/09/343812409.db2.gz ZXGVKEXSQZFKMV-LURJTMIESA-N 0 0 166.224 1.858 10 0 ADAERN CC[C@@H]1CC[C@H](NC(=O)NC)[C@@H]1C 127503629 343812416 /nfs/dbraw/zinc/81/24/16/343812416.db2.gz YMCZPRCEWHVXRB-HLTSFMKQSA-N 0 0 184.283 1.740 10 0 ADAERN C[C@@H]1CC[C@H](NC(=O)N(C)C)[C@@H]1C 127481988 343812433 /nfs/dbraw/zinc/81/24/33/343812433.db2.gz NAYXMCUOWOFDAW-HLTSFMKQSA-N 0 0 184.283 1.692 10 0 ADAERN C[C@H]1CCCc2[nH]c(=O)[nH]c21 127466967 343812436 /nfs/dbraw/zinc/81/24/36/343812436.db2.gz GJANEWBGYDFNFT-YFKPBYRVSA-N 0 0 152.197 1.555 10 0 ADAERN COC(=O)N[C@@H]1CC[C@H](C)[C@H]1C 127486541 343812439 /nfs/dbraw/zinc/81/24/39/343812439.db2.gz SONHGGJCWFTYFY-XLPZGREQSA-N 0 0 171.240 1.777 10 0 ADAERN CCNC(=O)N[C@@H]1CC[C@H](C)[C@@H]1C 127480136 343812465 /nfs/dbraw/zinc/81/24/65/343812465.db2.gz RFGUSSZWJNOGAF-XHNCKOQMSA-N 0 0 184.283 1.740 10 0 ADAERN COCc1nc2c([nH]1)C[C@@H](C)[C@@H](C)C2 127502333 343812483 /nfs/dbraw/zinc/81/24/83/343812483.db2.gz SACZINBYETXBHD-OCAPTIKFSA-N 0 0 194.278 1.927 10 0 ADAERN C[C@H]1CCCc2[nH]cnc21 127465586 343812523 /nfs/dbraw/zinc/81/25/23/343812523.db2.gz XZXBCQVPLQCINV-LURJTMIESA-N 0 0 136.198 1.850 10 0 ADAERN C[C@@H]1CC[C@@H](NC(=O)N(C)C)[C@@H]1C 127482482 343812536 /nfs/dbraw/zinc/81/25/36/343812536.db2.gz NAYXMCUOWOFDAW-IWSPIJDZSA-N 0 0 184.283 1.692 10 0 ADAERN CNC(=O)N[C@@H]1CC[C@H](C)[C@H]1C 127491234 343812542 /nfs/dbraw/zinc/81/25/42/343812542.db2.gz UKXQMJPLEWQRIC-XLPZGREQSA-N 0 0 170.256 1.350 10 0 ADAERN COc1nc2c([nH]1)C[C@@H](C)[C@H](C)C2 127507405 343812562 /nfs/dbraw/zinc/81/25/62/343812562.db2.gz JEOYEFJVPIPJKB-RNFRBKRXSA-N 0 0 180.251 1.789 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)[nH]c2C[C@@H]1C 127496559 343812579 /nfs/dbraw/zinc/81/25/79/343812579.db2.gz GLCKRUFIZZJUQD-WDSKDSINSA-N 0 0 166.224 1.486 10 0 ADAERN COCc1nc2c([nH]1)CCC[C@@H]2C 127473935 343812598 /nfs/dbraw/zinc/81/25/98/343812598.db2.gz BMSHFIXQSIAXCM-ZETCQYMHSA-N 0 0 180.251 1.996 10 0 ADAERN CCNC(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 127480540 343812610 /nfs/dbraw/zinc/81/26/10/343812610.db2.gz RFGUSSZWJNOGAF-HRDYMLBCSA-N 0 0 184.283 1.740 10 0 ADAERN C[C@H]1CCCc2[nH]c(CN(C)C)nc21 127483021 343812612 /nfs/dbraw/zinc/81/26/12/343812612.db2.gz GMAVFRPAZZITQX-QMMMGPOBSA-N 0 0 193.294 1.911 10 0 ADAERN C[C@@H]1CCCc2[nH]c(=O)[nH]c21 127466771 343812637 /nfs/dbraw/zinc/81/26/37/343812637.db2.gz GJANEWBGYDFNFT-RXMQYKEDSA-N 0 0 152.197 1.555 10 0 ADAERN COCc1nc2c([nH]1)C[C@@H](C)[C@H](C)C2 127502820 343812660 /nfs/dbraw/zinc/81/26/60/343812660.db2.gz SACZINBYETXBHD-HTQZYQBOSA-N 0 0 194.278 1.927 10 0 ADAERN COc1nc2c([nH]1)C[C@H](C)[C@@H](C)C2 127507182 343812676 /nfs/dbraw/zinc/81/26/76/343812676.db2.gz JEOYEFJVPIPJKB-BQBZGAKWSA-N 0 0 180.251 1.789 10 0 ADAERN CNC(=O)N[C@@H]1CC[C@@H](C)[C@H]1C 127490997 343812698 /nfs/dbraw/zinc/81/26/98/343812698.db2.gz UKXQMJPLEWQRIC-BWZBUEFSSA-N 0 0 170.256 1.350 10 0 ADAERN COCc1nc2c([nH]1)C[C@H](C)[C@@H](C)C2 127502585 343812745 /nfs/dbraw/zinc/81/27/45/343812745.db2.gz SACZINBYETXBHD-YUMQZZPRSA-N 0 0 194.278 1.927 10 0 ADAERN COc1nc2c([nH]1)[C@H](C)CCC2 127481377 343812769 /nfs/dbraw/zinc/81/27/69/343812769.db2.gz ZXGVKEXSQZFKMV-ZCFIWIBFSA-N 0 0 166.224 1.858 10 0 ADAERN C[C@@H]1CCCc2[nH]c(CN(C)C)nc21 127482801 343812782 /nfs/dbraw/zinc/81/27/82/343812782.db2.gz GMAVFRPAZZITQX-MRVPVSSYSA-N 0 0 193.294 1.911 10 0 ADAERN COc1nc2c([nH]1)CC[C@H](C)C2 127536723 343812999 /nfs/dbraw/zinc/81/29/99/343812999.db2.gz JTZWRLQBYADYRU-LURJTMIESA-N 0 0 166.224 1.543 10 0 ADAERN COCc1nc2c([nH]1)CC[C@H](C)C2 127528970 343813078 /nfs/dbraw/zinc/81/30/78/343813078.db2.gz FOJJFPVNJTWLMX-ZETCQYMHSA-N 0 0 180.251 1.681 10 0 ADAERN COCc1nc2c([nH]1)CC[C@@H](C)C2 127528738 343813140 /nfs/dbraw/zinc/81/31/40/343813140.db2.gz FOJJFPVNJTWLMX-SSDOTTSWSA-N 0 0 180.251 1.681 10 0 ADAERN COc1nc2c([nH]1)CC[C@@H](C)C2 127536503 343813183 /nfs/dbraw/zinc/81/31/83/343813183.db2.gz JTZWRLQBYADYRU-ZCFIWIBFSA-N 0 0 166.224 1.543 10 0 ADAERN CCOc1nc2c([nH]1)CC[C@H](C)C2 127543052 343813229 /nfs/dbraw/zinc/81/32/29/343813229.db2.gz SKJUEKDPSZPJBD-ZETCQYMHSA-N 0 0 180.251 1.933 10 0 ADAERN C[C@H]1CCc2[nH]c(CN(C)C)nc2C1 127538219 343813306 /nfs/dbraw/zinc/81/33/06/343813306.db2.gz WPCOPRAHBTUFFT-QMMMGPOBSA-N 0 0 193.294 1.596 10 0 ADAERN COCCc1nc2c([nH]1)CC[C@H](C)C2 127540132 343813341 /nfs/dbraw/zinc/81/33/41/343813341.db2.gz VHJIMOSAXMCXSA-QMMMGPOBSA-N 0 0 194.278 1.723 10 0 ADAERN C[C@@H]1CCc2[nH]c(=O)[nH]c2C1 127521956 343813385 /nfs/dbraw/zinc/81/33/85/343813385.db2.gz XUGJVKDOBIIETP-RXMQYKEDSA-N 0 0 152.197 1.240 10 0 ADAERN CCOc1nc2c([nH]1)CC[C@@H](C)C2 127542774 343813387 /nfs/dbraw/zinc/81/33/87/343813387.db2.gz SKJUEKDPSZPJBD-SSDOTTSWSA-N 0 0 180.251 1.933 10 0 ADAERN C[C@@H]1CCc2[nH]c(CN(C)C)nc2C1 127537981 343813445 /nfs/dbraw/zinc/81/34/45/343813445.db2.gz WPCOPRAHBTUFFT-MRVPVSSYSA-N 0 0 193.294 1.596 10 0 ADAERN CN1N=C(C2CCCC2)C(N)C1=O 127559345 343813807 /nfs/dbraw/zinc/81/38/07/343813807.db2.gz WZZMILRZDHBIQX-UHFFFAOYSA-N 0 0 181.239 1.366 10 0 ADAERN NC1C(=O)NN=C1C1CCCC1 127559556 343813921 /nfs/dbraw/zinc/81/39/21/343813921.db2.gz WBEJOQWFHCFVTC-UHFFFAOYSA-N 0 0 167.212 1.355 10 0 ADAERN CC[C@@H]1CCc2[nH]c(OC)nc2C1 127557812 343813992 /nfs/dbraw/zinc/81/39/92/343813992.db2.gz UMPICIUVHHXIPM-SSDOTTSWSA-N 0 0 180.251 1.933 10 0 ADAERN S=c1ccc2c([nH]1)CCC2 127563937 343814025 /nfs/dbraw/zinc/81/40/25/343814025.db2.gz ABHGPKSJRPAVHS-UHFFFAOYSA-N 0 0 151.234 1.859 10 0 ADAERN CC[C@H]1CCc2[nH]c(OC)nc2C1 127557936 343814030 /nfs/dbraw/zinc/81/40/30/343814030.db2.gz UMPICIUVHHXIPM-ZETCQYMHSA-N 0 0 180.251 1.933 10 0 ADAERN CC[C@@H]1CCc2[nH]cnc2C1 127549368 343814126 /nfs/dbraw/zinc/81/41/26/343814126.db2.gz KYALHPMHSXPJEY-SSDOTTSWSA-N 0 0 150.225 1.925 10 0 ADAERN Cc1ccc(F)c(CO)c1N 127595513 343814464 /nfs/dbraw/zinc/81/44/64/343814464.db2.gz QFPGDRINUGWRSD-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN CNC(=O)N[C@H]1CCCCC[C@@H]1C 127592427 343814525 /nfs/dbraw/zinc/81/45/25/343814525.db2.gz QTMVZQAISDFWLN-IUCAKERBSA-N 0 0 184.283 1.884 10 0 ADAERN COc1ccc(C)c(CO)c1N 127595782 343814527 /nfs/dbraw/zinc/81/45/27/343814527.db2.gz HPDAQWGTIIODPZ-UHFFFAOYSA-N 0 0 167.208 1.078 10 0 ADAERN Cc1ccc(F)c(N)c1CO 127596039 343814595 /nfs/dbraw/zinc/81/45/95/343814595.db2.gz NZRDYLSXQITWIQ-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN Cc1c(Cl)ccc(CO)c1N 127594225 343814600 /nfs/dbraw/zinc/81/46/00/343814600.db2.gz GEUHYPWNEYEHBE-UHFFFAOYSA-N 0 0 171.627 1.723 10 0 ADAERN CC(C)OC(=O)[C@@]1(C)CCCCN1 127586284 343814616 /nfs/dbraw/zinc/81/46/16/343814616.db2.gz JZSMIKWIKGARQV-SNVBAGLBSA-N 0 0 185.267 1.470 10 0 ADAERN CNC(=O)N[C@@H]1CCCCC[C@H]1C 127592672 343814637 /nfs/dbraw/zinc/81/46/37/343814637.db2.gz QTMVZQAISDFWLN-RKDXNWHRSA-N 0 0 184.283 1.884 10 0 ADAERN CCc1ccc(N)c(CO)c1 127597394 343814640 /nfs/dbraw/zinc/81/46/40/343814640.db2.gz HJNUZYKORIFDIG-UHFFFAOYSA-N 0 0 151.209 1.324 10 0 ADAERN CNC(=O)N[C@@H]1CCCCC[C@@H]1C 127592894 343814644 /nfs/dbraw/zinc/81/46/44/343814644.db2.gz QTMVZQAISDFWLN-DTWKUNHWSA-N 0 0 184.283 1.884 10 0 ADAERN CNC(=O)N[C@H]1CCCCC[C@H]1C 127592189 343814649 /nfs/dbraw/zinc/81/46/49/343814649.db2.gz QTMVZQAISDFWLN-BDAKNGLRSA-N 0 0 184.283 1.884 10 0 ADAERN CC(C)OC(=O)[C@]1(C)CCCCN1 127586083 343814691 /nfs/dbraw/zinc/81/46/91/343814691.db2.gz JZSMIKWIKGARQV-JTQLQIEISA-N 0 0 185.267 1.470 10 0 ADAERN CCc1cccc(CO)c1N 127598821 343815007 /nfs/dbraw/zinc/81/50/07/343815007.db2.gz GTXRRCNREJBIBH-UHFFFAOYSA-N 0 0 151.209 1.324 10 0 ADAERN CC1(C)CCN(C(=O)NC2CC2)C1 127599897 343815022 /nfs/dbraw/zinc/81/50/22/343815022.db2.gz XCKHKBZEXOHDEL-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN CNC(=O)N1CCC(C)(C)C1 127599686 343815027 /nfs/dbraw/zinc/81/50/27/343815027.db2.gz GXMYLHZCBDNLDW-UHFFFAOYSA-N 0 0 156.229 1.058 10 0 ADAERN COc1cc(C)c(N)c(CO)c1 127602204 343815059 /nfs/dbraw/zinc/81/50/59/343815059.db2.gz KSHGZZVOCLKTBD-UHFFFAOYSA-N 0 0 167.208 1.078 10 0 ADAERN CC(C)C[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] 127613537 343815078 /nfs/dbraw/zinc/81/50/78/343815078.db2.gz CQPFECWMUCLNMR-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CNC(=O)Nc1cccc(N(C)C)c1 127604721 343815089 /nfs/dbraw/zinc/81/50/89/343815089.db2.gz NJZGOOJGBTULRD-UHFFFAOYSA-N 0 0 193.250 1.504 10 0 ADAERN Nc1c(CO)ccc2cccnc12 127599546 343815123 /nfs/dbraw/zinc/81/51/23/343815123.db2.gz LFGRTFMSXJDTRX-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN CC(C)C[N@@H+]1CCCC[C@]1(C)C(=O)[O-] 127613781 343815160 /nfs/dbraw/zinc/81/51/60/343815160.db2.gz CQPFECWMUCLNMR-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1cc(CO)c(N)cc1F 127603582 343815164 /nfs/dbraw/zinc/81/51/64/343815164.db2.gz NUYPKOOZROZCHS-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN CC[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] 127612546 343815172 /nfs/dbraw/zinc/81/51/72/343815172.db2.gz JIQIVTVWJVBEIV-VIFPVBQESA-N 0 0 171.240 1.336 10 0 ADAERN OCCSc1ccc2c(n1)CCC2 127614005 343815181 /nfs/dbraw/zinc/81/51/81/343815181.db2.gz RCCMYRHFTJBIDZ-UHFFFAOYSA-N 0 0 195.287 1.655 10 0 ADAERN CC[N@@H+]1CCCC[C@]1(C)C(=O)[O-] 127612762 343815234 /nfs/dbraw/zinc/81/52/34/343815234.db2.gz JIQIVTVWJVBEIV-SECBINFHSA-N 0 0 171.240 1.336 10 0 ADAERN Cc1cc(F)cc(CO)c1N 127599060 343815249 /nfs/dbraw/zinc/81/52/49/343815249.db2.gz OJRJRSNAZRQSIB-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN CCOc1ccc(F)c(CO)c1N 127602888 343815254 /nfs/dbraw/zinc/81/52/54/343815254.db2.gz ATYQKYQASVWPIP-UHFFFAOYSA-N 0 0 185.198 1.299 10 0 ADAERN Cc1c(F)ccc(CO)c1N 127601963 343815311 /nfs/dbraw/zinc/81/53/11/343815311.db2.gz XCRPCAGIJNGLNP-UHFFFAOYSA-N 0 0 155.172 1.209 10 0 ADAERN Cc1cc(Cl)cc(N)c1CO 127604043 343815331 /nfs/dbraw/zinc/81/53/31/343815331.db2.gz SSTPAZSSXBTJTE-UHFFFAOYSA-N 0 0 171.627 1.723 10 0 ADAERN Cc1ccc(Cl)c(N)c1CO 127603822 343815341 /nfs/dbraw/zinc/81/53/41/343815341.db2.gz PRSPSSJIOCCELY-UHFFFAOYSA-N 0 0 171.627 1.723 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] 127620784 343815500 /nfs/dbraw/zinc/81/55/00/343815500.db2.gz UVWPVKGMZWRJSX-JTQLQIEISA-N 0 0 185.267 1.724 10 0 ADAERN C[C@@]1(C(=O)[O-])CCCC[N@@H+]1CCF 127635754 343815519 /nfs/dbraw/zinc/81/55/19/343815519.db2.gz NFWSHOKFXVUVGR-VIFPVBQESA-N 0 0 189.230 1.285 10 0 ADAERN CC(C)[N@@H+]1CCCC[C@]1(C)C(=O)[O-] 127621043 343815707 /nfs/dbraw/zinc/81/57/07/343815707.db2.gz UVWPVKGMZWRJSX-SNVBAGLBSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@]1(C(=O)[O-])CCCC[N@@H+]1CCF 127635605 343815762 /nfs/dbraw/zinc/81/57/62/343815762.db2.gz NFWSHOKFXVUVGR-SECBINFHSA-N 0 0 189.230 1.285 10 0 ADAERN CCC[N@@H+]1CCCC[C@]1(C)C(=O)[O-] 127634379 343815872 /nfs/dbraw/zinc/81/58/72/343815872.db2.gz YMCHMWGTUDWUPY-SNVBAGLBSA-N 0 0 185.267 1.726 10 0 ADAERN CCc1cccnc1CNC(=O)NC 127652524 343816182 /nfs/dbraw/zinc/81/61/82/343816182.db2.gz CNUBWEYVPPIUTM-UHFFFAOYSA-N 0 0 193.250 1.073 10 0 ADAERN c1cnn(-c2ccc3c(n2)CCC3)c1 127673753 343816248 /nfs/dbraw/zinc/81/62/48/343816248.db2.gz UDMHBJKMQVXFEZ-UHFFFAOYSA-N 0 0 185.230 1.756 10 0 ADAERN C/C=C/C[N@@H+]1CCCC[C@]1(C)C(=O)[O-] 127648980 343816353 /nfs/dbraw/zinc/81/63/53/343816353.db2.gz SICRBZVQWNCEHI-PGLGOXFNSA-N 0 0 197.278 1.892 10 0 ADAERN C/C=C/C[N@@H+]1CCCC[C@@]1(C)C(=O)[O-] 127648738 343816478 /nfs/dbraw/zinc/81/64/78/343816478.db2.gz SICRBZVQWNCEHI-UFFNRZRYSA-N 0 0 197.278 1.892 10 0 ADAERN CN1C(=S)N=NC1N(C)C1CCC1 127684141 343816904 /nfs/dbraw/zinc/81/69/04/343816904.db2.gz JBCAXPTYEYOLET-UHFFFAOYSA-N 0 0 198.295 1.093 10 0 ADAERN CSC[C@@H](C)N1CCC(=O)C1 127688864 343816963 /nfs/dbraw/zinc/81/69/63/343816963.db2.gz PIXDYHIIABJPKH-SSDOTTSWSA-N 0 0 173.281 1.013 10 0 ADAERN Cn1cc(-c2nccs2)cn1 127683386 343817053 /nfs/dbraw/zinc/81/70/53/343817053.db2.gz GDAZRTVAWSKINN-UHFFFAOYSA-N 0 0 165.221 1.544 10 0 ADAERN CC(C)CCN1CCCN(N)C1=O 127685679 343817127 /nfs/dbraw/zinc/81/71/27/343817127.db2.gz HXCUJICVEIYYCH-UHFFFAOYSA-N 0 0 185.271 1.034 10 0 ADAERN Cn1nc([C@H]2CCCCO2)[nH]c1=S 127727631 343817448 /nfs/dbraw/zinc/81/74/48/343817448.db2.gz RVBFQFWRMVPDGL-ZCFIWIBFSA-N 0 0 199.279 1.345 10 0 ADAERN NN1CCCN(CC2CCCC2)C1=O 127699541 343817488 /nfs/dbraw/zinc/81/74/88/343817488.db2.gz XFVADCJBSWLHBL-UHFFFAOYSA-N 0 0 197.282 1.178 10 0 ADAERN CC(C)Cc1nn(C)c(=S)[nH]1 127736216 343817518 /nfs/dbraw/zinc/81/75/18/343817518.db2.gz BJKGDSJYSXERLQ-UHFFFAOYSA-N 0 0 171.269 1.302 10 0 ADAERN C=Cc1nc(C[C@H]2CCCCO2)no1 127727520 343817612 /nfs/dbraw/zinc/81/76/12/343817612.db2.gz OIOVSMZEEDUVHH-MRVPVSSYSA-N 0 0 194.234 1.824 10 0 ADAERN Cn1nc(-c2ccoc2)[nH]c1=S 127733154 343817651 /nfs/dbraw/zinc/81/76/51/343817651.db2.gz ZASPNIRHQMGKCZ-UHFFFAOYSA-N 0 0 181.220 1.364 10 0 ADAERN Cn1nc(CC2CCCC2)[nH]c1=S 127724834 343817706 /nfs/dbraw/zinc/81/77/06/343817706.db2.gz PBMIRPQCTZKCQX-UHFFFAOYSA-N 0 0 197.307 1.837 10 0 ADAERN C=Cc1nc(C[C@@H]2CCCCO2)no1 127727264 343817846 /nfs/dbraw/zinc/81/78/46/343817846.db2.gz OIOVSMZEEDUVHH-QMMMGPOBSA-N 0 0 194.234 1.824 10 0 ADAERN Cn1nc([C@@H]2CCCCO2)[nH]c1=S 127727430 343817887 /nfs/dbraw/zinc/81/78/87/343817887.db2.gz RVBFQFWRMVPDGL-LURJTMIESA-N 0 0 199.279 1.345 10 0 ADAERN Cn1nc(C2CCCC2)[nH]c1=S 127736981 343817906 /nfs/dbraw/zinc/81/79/06/343817906.db2.gz DNCYNXXNVQCYBU-UHFFFAOYSA-N 0 0 183.280 1.761 10 0 ADAERN Cn1nc(-c2cccnc2)[nH]c1=S 127734843 343817913 /nfs/dbraw/zinc/81/79/13/343817913.db2.gz VIQFWHZSNWOQPY-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1nc(C2(C)CCCC2)[nH]c1=S 127730959 343817919 /nfs/dbraw/zinc/81/79/19/343817919.db2.gz JTVMOIRZYMHPLG-UHFFFAOYSA-N 0 0 197.307 1.936 10 0 ADAERN Cn1nc(-c2cscn2)[nH]c1=S 127740583 343818316 /nfs/dbraw/zinc/81/83/16/343818316.db2.gz HKTNGRMOVXMFOT-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN CCC(C)(C)c1nn(C)c(=S)[nH]1 127764025 343818171 /nfs/dbraw/zinc/81/81/71/343818171.db2.gz OCDAWTHDXZMLGZ-UHFFFAOYSA-N 0 0 185.296 1.791 10 0 ADAERN Cn1nc(CC2CC2)[nH]c1=S 127751488 343818203 /nfs/dbraw/zinc/81/82/03/343818203.db2.gz FNKLGEBOZSYYIW-UHFFFAOYSA-N 0 0 169.253 1.056 10 0 ADAERN CC(C)[C@@H](C)c1nn(C)c(=S)[nH]1 127752687 343818211 /nfs/dbraw/zinc/81/82/11/343818211.db2.gz WDCSHSGLVPMVCD-ZCFIWIBFSA-N 0 0 185.296 1.863 10 0 ADAERN CSC[C@@H](C)Nc1nccnc1C 127760453 343818246 /nfs/dbraw/zinc/81/82/46/343818246.db2.gz PCUKJQVCKHEZBL-SSDOTTSWSA-N 0 0 197.307 1.948 10 0 ADAERN CSC[C@H](C)Nc1nccnc1C 127760234 343818377 /nfs/dbraw/zinc/81/83/77/343818377.db2.gz PCUKJQVCKHEZBL-ZETCQYMHSA-N 0 0 197.307 1.948 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nn(C)c(=S)[nH]1 127744807 343818382 /nfs/dbraw/zinc/81/83/82/343818382.db2.gz JJBDHNUTFDBBBR-PHDIDXHHSA-N 0 0 199.279 1.201 10 0 ADAERN CSCCc1nn(C)c(=S)[nH]1 127741072 343818390 /nfs/dbraw/zinc/81/83/90/343818390.db2.gz QWINWHUKHXYOJY-UHFFFAOYSA-N 0 0 189.309 1.009 10 0 ADAERN CC(C)[C@H](C)c1nn(C)c(=S)[nH]1 127752902 343818411 /nfs/dbraw/zinc/81/84/11/343818411.db2.gz WDCSHSGLVPMVCD-LURJTMIESA-N 0 0 185.296 1.863 10 0 ADAERN CSC[C@@H](C)Nc1nncs1 127747776 343818426 /nfs/dbraw/zinc/81/84/26/343818426.db2.gz NNNFYPUKRLUNMR-RXMQYKEDSA-N 0 0 189.309 1.702 10 0 ADAERN C[C@H]1CCO[C@@H]1c1nn(C)c(=S)[nH]1 127744551 343818429 /nfs/dbraw/zinc/81/84/29/343818429.db2.gz JJBDHNUTFDBBBR-WDSKDSINSA-N 0 0 199.279 1.201 10 0 ADAERN Cn1nc(CC(F)(F)F)[nH]c1=S 127761979 343818434 /nfs/dbraw/zinc/81/84/34/343818434.db2.gz WVPIPZVKCPIUKN-UHFFFAOYSA-N 0 0 197.185 1.209 10 0 ADAERN CCCCc1nn(C)c(=S)[nH]1 127760494 343818467 /nfs/dbraw/zinc/81/84/67/343818467.db2.gz DFDSZJRQYGYMSN-UHFFFAOYSA-N 0 0 171.269 1.446 10 0 ADAERN C[C@H]1CCO[C@H]1c1nn(C)c(=S)[nH]1 127745018 343818536 /nfs/dbraw/zinc/81/85/36/343818536.db2.gz JJBDHNUTFDBBBR-NTSWFWBYSA-N 0 0 199.279 1.201 10 0 ADAERN CSC[C@H](C)Nc1nncs1 127747563 343818549 /nfs/dbraw/zinc/81/85/49/343818549.db2.gz NNNFYPUKRLUNMR-YFKPBYRVSA-N 0 0 189.309 1.702 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nn(C)c(=S)[nH]1 127744318 343818578 /nfs/dbraw/zinc/81/85/78/343818578.db2.gz JJBDHNUTFDBBBR-RITPCOANSA-N 0 0 199.279 1.201 10 0 ADAERN Cn1nc(-c2ccsc2)[nH]c1=S 127748486 343818610 /nfs/dbraw/zinc/81/86/10/343818610.db2.gz YKVMSMKWQJJJIJ-UHFFFAOYSA-N 0 0 197.288 1.832 10 0 ADAERN Cc1cc(-c2nn(C)c(=S)[nH]2)no1 127766846 343818638 /nfs/dbraw/zinc/81/86/38/343818638.db2.gz GDKMBMYVFHRVBK-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN CCCc1nn(C)c(=S)[nH]1 127749936 343818642 /nfs/dbraw/zinc/81/86/42/343818642.db2.gz OTMBIJBJPLXJIK-UHFFFAOYSA-N 0 0 157.242 1.056 10 0 ADAERN C[C@H]1C[C@@H]1c1nn(C)c(=S)[nH]1 127774371 343818903 /nfs/dbraw/zinc/81/89/03/343818903.db2.gz DJTQZHPUOWCIBW-WHFBIAKZSA-N 0 0 169.253 1.227 10 0 ADAERN O=C(CC1CC1)C(F)F 130957524 343877812 /nfs/dbraw/zinc/87/78/12/343877812.db2.gz IUAGUADDIZLZOQ-UHFFFAOYSA-N 0 0 134.125 1.621 10 0 ADAERN Cn1nc([C@@]2(C)CCCO2)[nH]c1=S 127794864 343818974 /nfs/dbraw/zinc/81/89/74/343818974.db2.gz MMBPHSZOBXDPLJ-MRVPVSSYSA-N 0 0 199.279 1.129 10 0 ADAERN C[C@H]1CC[C@@H](c2nn(C)c(=S)[nH]2)O1 127769948 343818979 /nfs/dbraw/zinc/81/89/79/343818979.db2.gz NPQZICYBCNYPNZ-WDSKDSINSA-N 0 0 199.279 1.344 10 0 ADAERN Cn1nc([C@]2(C)CCCO2)[nH]c1=S 127795077 343818992 /nfs/dbraw/zinc/81/89/92/343818992.db2.gz MMBPHSZOBXDPLJ-QMMMGPOBSA-N 0 0 199.279 1.129 10 0 ADAERN C[C@@H]1C[C@@H]1c1nn(C)c(=S)[nH]1 127774135 343819026 /nfs/dbraw/zinc/81/90/26/343819026.db2.gz DJTQZHPUOWCIBW-UHNVWZDZSA-N 0 0 169.253 1.227 10 0 ADAERN C[C@H]1CC[C@H](c2nn(C)c(=S)[nH]2)O1 127769494 343819074 /nfs/dbraw/zinc/81/90/74/343819074.db2.gz NPQZICYBCNYPNZ-NTSWFWBYSA-N 0 0 199.279 1.344 10 0 ADAERN Cc1ncoc1-c1nn(C)c(=S)[nH]1 127796747 343819078 /nfs/dbraw/zinc/81/90/78/343819078.db2.gz DGUJZJORTACCMP-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN Cc1oncc1-c1nn(C)c(=S)[nH]1 127772898 343819108 /nfs/dbraw/zinc/81/91/08/343819108.db2.gz MZWLCJYRINPTLQ-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN C[C@@H]1CC[C@@H](c2nn(C)c(=S)[nH]2)O1 127769728 343819144 /nfs/dbraw/zinc/81/91/44/343819144.db2.gz NPQZICYBCNYPNZ-RITPCOANSA-N 0 0 199.279 1.344 10 0 ADAERN C[C@@H]1CC[C@H](c2nn(C)c(=S)[nH]2)O1 127769286 343819223 /nfs/dbraw/zinc/81/92/23/343819223.db2.gz NPQZICYBCNYPNZ-PHDIDXHHSA-N 0 0 199.279 1.344 10 0 ADAERN Cc1ccoc1-c1nn(C)c(=S)[nH]1 127772380 343819260 /nfs/dbraw/zinc/81/92/60/343819260.db2.gz SPSOXPVWPNAIHJ-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN Cc1ccc(-c2nn(C)c(=S)[nH]2)o1 127812458 343819554 /nfs/dbraw/zinc/81/95/54/343819554.db2.gz YUOYQWONBPOVCF-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN CC[C@@H](C)c1nn(C)c(=S)[nH]1 127813176 343819569 /nfs/dbraw/zinc/81/95/69/343819569.db2.gz YBLFRTFAHGCJJL-RXMQYKEDSA-N 0 0 171.269 1.617 10 0 ADAERN Nc1cnc(C[C@@H]2CCCCO2)nc1 127823540 343819584 /nfs/dbraw/zinc/81/95/84/343819584.db2.gz MPJTUEKPVNEVDV-VIFPVBQESA-N 0 0 193.250 1.170 10 0 ADAERN C[C@@H](c1nn(C)c(=S)[nH]1)C1CC1 127819530 343819606 /nfs/dbraw/zinc/81/96/06/343819606.db2.gz NYVBCOXBNXKRQR-RXMQYKEDSA-N 0 0 183.280 1.617 10 0 ADAERN CC(C)OCc1nn(C)c(=S)[nH]1 127808613 343819620 /nfs/dbraw/zinc/81/96/20/343819620.db2.gz MRJKYLWWDWGNMC-UHFFFAOYSA-N 0 0 187.268 1.029 10 0 ADAERN Cc1cc(-c2nn(C)c(=S)[nH]2)on1 127802405 343819636 /nfs/dbraw/zinc/81/96/36/343819636.db2.gz IQCXVUQWMOWGET-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN C[C@H]1CCCN(C(=O)NC2(C)CC2)C1 127813471 343819652 /nfs/dbraw/zinc/81/96/52/343819652.db2.gz CIGSMJISMKYDJF-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN CC(C)CCc1nn(C)c(=S)[nH]1 127801152 343819666 /nfs/dbraw/zinc/81/96/66/343819666.db2.gz NVQWNMHNUZLLDZ-UHFFFAOYSA-N 0 0 185.296 1.692 10 0 ADAERN CSC[C@H](C)N1CN=NC1=S 127807690 343819669 /nfs/dbraw/zinc/81/96/69/343819669.db2.gz RTPDELUDUSDCCJ-YFKPBYRVSA-N 0 0 189.309 1.491 10 0 ADAERN CSC[C@@H](C)N1CN=NC1=S 127807919 343819700 /nfs/dbraw/zinc/81/97/00/343819700.db2.gz RTPDELUDUSDCCJ-RXMQYKEDSA-N 0 0 189.309 1.491 10 0 ADAERN CC(C)OC(=O)NC1(C)CC1 127813068 343819744 /nfs/dbraw/zinc/81/97/44/343819744.db2.gz ICQGRUGUYQJAEQ-UHFFFAOYSA-N 0 0 157.213 1.674 10 0 ADAERN Cc1occc1-c1nn(C)c(=S)[nH]1 127810599 343819859 /nfs/dbraw/zinc/81/98/59/343819859.db2.gz VWIFNMLZZWHMQV-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN Cn1nc(CC(C)(C)C)[nH]c1=S 127799978 343819873 /nfs/dbraw/zinc/81/98/73/343819873.db2.gz JAYWXYBPYPJMDV-UHFFFAOYSA-N 0 0 185.296 1.692 10 0 ADAERN C[C@H](c1nn(C)c(=S)[nH]1)C1CC1 127819739 343819883 /nfs/dbraw/zinc/81/98/83/343819883.db2.gz NYVBCOXBNXKRQR-YFKPBYRVSA-N 0 0 183.280 1.617 10 0 ADAERN CC[C@H](C)c1nn(C)c(=S)[nH]1 127813392 343819893 /nfs/dbraw/zinc/81/98/93/343819893.db2.gz YBLFRTFAHGCJJL-YFKPBYRVSA-N 0 0 171.269 1.617 10 0 ADAERN CC(C)OC(=O)N[C@@]1(C)CCOC1 127809576 343819896 /nfs/dbraw/zinc/81/98/96/343819896.db2.gz TZVSCOTZFDHVKP-VIFPVBQESA-N 0 0 187.239 1.300 10 0 ADAERN CC(C)OC(=O)N[C@]1(C)CCOC1 127809366 343819921 /nfs/dbraw/zinc/81/99/21/343819921.db2.gz TZVSCOTZFDHVKP-SECBINFHSA-N 0 0 187.239 1.300 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1cnnn1C 127868503 343820133 /nfs/dbraw/zinc/82/01/33/343820133.db2.gz FOFHKVVWPHWQFG-CBAPKCEASA-N 0 0 183.255 1.069 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1cnnn1C 127868945 343820140 /nfs/dbraw/zinc/82/01/40/343820140.db2.gz FOFHKVVWPHWQFG-IONNQARKSA-N 0 0 183.255 1.069 10 0 ADAERN CNC(=S)N1C[C@H](C)[C@@H](C)C1 127869817 343820151 /nfs/dbraw/zinc/82/01/51/343820151.db2.gz FCYCNVWKDUZUEZ-BQBZGAKWSA-N 0 0 172.297 1.079 10 0 ADAERN Cc1nn(C)cc1CNc1cn[nH]c1 127850674 343820206 /nfs/dbraw/zinc/82/02/06/343820206.db2.gz RKBRDMZCQRPUFH-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN C[C@@H]1CCC[C@@](O)(c2cnnn2C)C1 127851757 343820209 /nfs/dbraw/zinc/82/02/09/343820209.db2.gz CFFCMSCEBKLSOF-SCZZXKLOSA-N 0 0 195.266 1.213 10 0 ADAERN Nc1nc(C[C@@H]2CCCCO2)ns1 127835341 343820214 /nfs/dbraw/zinc/82/02/14/343820214.db2.gz JZMBPUHWUMIWOO-LURJTMIESA-N 0 0 199.279 1.232 10 0 ADAERN Cc1nnc(NC(=O)OCC(C)C)[nH]1 127844291 343820231 /nfs/dbraw/zinc/82/02/31/343820231.db2.gz QISJDRXMDSWIDS-UHFFFAOYSA-N 0 0 198.226 1.318 10 0 ADAERN C[C@H]1CCC[C@@](O)(c2cnnn2C)C1 127851987 343820272 /nfs/dbraw/zinc/82/02/72/343820272.db2.gz CFFCMSCEBKLSOF-WPRPVWTQSA-N 0 0 195.266 1.213 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1cnnn1C 127868713 343820277 /nfs/dbraw/zinc/82/02/77/343820277.db2.gz FOFHKVVWPHWQFG-VXNVDRBHSA-N 0 0 183.255 1.069 10 0 ADAERN Nc1nc(C[C@H]2CCCCO2)ns1 127835563 343820560 /nfs/dbraw/zinc/82/05/60/343820560.db2.gz JZMBPUHWUMIWOO-ZCFIWIBFSA-N 0 0 199.279 1.232 10 0 ADAERN C[C@@H](O)CN1C[C@@H](C(C)(C)C)CC1=O 127847034 343820286 /nfs/dbraw/zinc/82/02/86/343820286.db2.gz MZFMKPAEDIPHAB-BDAKNGLRSA-N 0 0 199.294 1.262 10 0 ADAERN CC1CCC(O)(c2cnnn2C)CC1 127853331 343820291 /nfs/dbraw/zinc/82/02/91/343820291.db2.gz IZQWOMQNDKJRTF-UHFFFAOYSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@H](O)CN1C[C@H](C(C)(C)C)CC1=O 127846324 343820308 /nfs/dbraw/zinc/82/03/08/343820308.db2.gz MZFMKPAEDIPHAB-DTWKUNHWSA-N 0 0 199.294 1.262 10 0 ADAERN Cc1nnc(NC(=O)OC(C)C)[nH]1 127847522 343820345 /nfs/dbraw/zinc/82/03/45/343820345.db2.gz TYXCTHFOJQLRBO-UHFFFAOYSA-N 0 0 184.199 1.070 10 0 ADAERN CNC(=S)N1C[C@@H](C)[C@H](C)C1 127870083 343820417 /nfs/dbraw/zinc/82/04/17/343820417.db2.gz FCYCNVWKDUZUEZ-RNFRBKRXSA-N 0 0 172.297 1.079 10 0 ADAERN CNC(=S)N1CCC(C)(C)C1 127852256 343820472 /nfs/dbraw/zinc/82/04/72/343820472.db2.gz FYVDEQUUTWROHU-UHFFFAOYSA-N 0 0 172.297 1.223 10 0 ADAERN C[C@@H](O)CN1C[C@H](C(C)(C)C)CC1=O 127846583 343820508 /nfs/dbraw/zinc/82/05/08/343820508.db2.gz MZFMKPAEDIPHAB-RKDXNWHRSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@H](O)CN1C[C@@H](C(C)(C)C)CC1=O 127846801 343820513 /nfs/dbraw/zinc/82/05/13/343820513.db2.gz MZFMKPAEDIPHAB-IUCAKERBSA-N 0 0 199.294 1.262 10 0 ADAERN CNC(=S)N1C[C@@H](C)[C@@H](C)C1 127869589 343820551 /nfs/dbraw/zinc/82/05/51/343820551.db2.gz FCYCNVWKDUZUEZ-KNVOCYPGSA-N 0 0 172.297 1.079 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1cnnn1C 127868310 343820564 /nfs/dbraw/zinc/82/05/64/343820564.db2.gz FOFHKVVWPHWQFG-APPZFPTMSA-N 0 0 183.255 1.069 10 0 ADAERN Cc1nsc(NC(=O)NC2CC2)n1 127860154 343820597 /nfs/dbraw/zinc/82/05/97/343820597.db2.gz RRLYQSFOEBQUBS-UHFFFAOYSA-N 0 0 198.251 1.130 10 0 ADAERN Cc1nc2nc(C)c(C)c(Cl)n2n1 127919953 343820986 /nfs/dbraw/zinc/82/09/86/343820986.db2.gz WUIMLVASIRVOGX-UHFFFAOYSA-N 0 0 196.641 1.703 10 0 ADAERN CCc1cc(Cl)n2nc(C)nc2n1 127916618 343821101 /nfs/dbraw/zinc/82/11/01/343821101.db2.gz RYMMMFNEFMSGRK-UHFFFAOYSA-N 0 0 196.641 1.649 10 0 ADAERN CC[C@@]1(C)NC(=O)N(C2CCC2)C1=O 127956596 343821648 /nfs/dbraw/zinc/82/16/48/343821648.db2.gz LPEYNQJIMKXQSW-SNVBAGLBSA-N 0 0 196.250 1.259 10 0 ADAERN CNC(=S)N1C[C@H](C)CC[C@H]1C 127943848 343821656 /nfs/dbraw/zinc/82/16/56/343821656.db2.gz DEBXLEPVFSBJIN-HTQZYQBOSA-N 0 0 186.324 1.611 10 0 ADAERN CC1(C)CC(=O)N(C2CCC2)C(=O)N1 127948144 343821721 /nfs/dbraw/zinc/82/17/21/343821721.db2.gz IXHGLNAEAPNUOV-UHFFFAOYSA-N 0 0 196.250 1.259 10 0 ADAERN CC[C@]1(C)NC(=O)N(C2CCC2)C1=O 127956773 343821774 /nfs/dbraw/zinc/82/17/74/343821774.db2.gz LPEYNQJIMKXQSW-JTQLQIEISA-N 0 0 196.250 1.259 10 0 ADAERN CC(C)N1CC(=O)N(C2CCC2)C1=O 127940642 343821783 /nfs/dbraw/zinc/82/17/83/343821783.db2.gz CYOVACBPWVGWKS-UHFFFAOYSA-N 0 0 196.250 1.212 10 0 ADAERN CN1C(=O)N(C2CCC2)C(=O)C1(C)C 127946063 343821789 /nfs/dbraw/zinc/82/17/89/343821789.db2.gz WOLQGTRPXXHQFP-UHFFFAOYSA-N 0 0 196.250 1.212 10 0 ADAERN Cn1ncnc1S[C@H]1CCC(=O)C1 127966493 343821795 /nfs/dbraw/zinc/82/17/95/343821795.db2.gz PLEURBVLFWHTAT-ZETCQYMHSA-N 0 0 197.263 1.029 10 0 ADAERN CCCN1CC(=O)N(C2CCC2)C1=O 127943137 343821869 /nfs/dbraw/zinc/82/18/69/343821869.db2.gz LHECCCGDFRXBRW-UHFFFAOYSA-N 0 0 196.250 1.213 10 0 ADAERN CC(C)c1nn(C)c(=S)[nH]1 127943826 343821895 /nfs/dbraw/zinc/82/18/95/343821895.db2.gz YFLZGHAYALULJF-UHFFFAOYSA-N 0 0 157.242 1.227 10 0 ADAERN CNC(=S)N1C[C@H](C)CC[C@@H]1C 127943336 343821917 /nfs/dbraw/zinc/82/19/17/343821917.db2.gz DEBXLEPVFSBJIN-SFYZADRCSA-N 0 0 186.324 1.611 10 0 ADAERN CNC(=S)N1C[C@@H](C)CC[C@H]1C 127944076 343821983 /nfs/dbraw/zinc/82/19/83/343821983.db2.gz DEBXLEPVFSBJIN-JGVFFNPUSA-N 0 0 186.324 1.611 10 0 ADAERN CNC(=S)N1C[C@@H](C)CC[C@@H]1C 127943589 343822042 /nfs/dbraw/zinc/82/20/42/343822042.db2.gz DEBXLEPVFSBJIN-YUMQZZPRSA-N 0 0 186.324 1.611 10 0 ADAERN Cn1ncnc1S[C@H]1CCCC1=O 127968812 343822371 /nfs/dbraw/zinc/82/23/71/343822371.db2.gz RBAULFUHMUYEDC-ZETCQYMHSA-N 0 0 197.263 1.029 10 0 ADAERN CCc1nc(NC(=O)NC)sc1C 127971345 343822377 /nfs/dbraw/zinc/82/23/77/343822377.db2.gz CJOCWAPNKXQBGR-UHFFFAOYSA-N 0 0 199.279 1.765 10 0 ADAERN O=C(Nc1ncc[nH]1)NC1CCC1 127981373 343822410 /nfs/dbraw/zinc/82/24/10/343822410.db2.gz KOFJGFURDYVVIJ-UHFFFAOYSA-N 0 0 180.211 1.084 10 0 ADAERN CNC(=O)N1C[C@H](C)CC[C@@H]1C 127975841 343822426 /nfs/dbraw/zinc/82/24/26/343822426.db2.gz XCUQSHLHFMCCGV-SFYZADRCSA-N 0 0 170.256 1.446 10 0 ADAERN CNC(=O)N1C[C@@H](C)CC[C@H]1C 127976509 343822438 /nfs/dbraw/zinc/82/24/38/343822438.db2.gz XCUQSHLHFMCCGV-JGVFFNPUSA-N 0 0 170.256 1.446 10 0 ADAERN Cn1ncnc1S[C@@H]1CCCC1=O 127968593 343822643 /nfs/dbraw/zinc/82/26/43/343822643.db2.gz RBAULFUHMUYEDC-SSDOTTSWSA-N 0 0 197.263 1.029 10 0 ADAERN CNC(=O)N1C[C@H](C)CC[C@H]1C 127976301 343822653 /nfs/dbraw/zinc/82/26/53/343822653.db2.gz XCUQSHLHFMCCGV-HTQZYQBOSA-N 0 0 170.256 1.446 10 0 ADAERN O=C(Nc1cc[nH]n1)NC1CCC1 127980884 343822656 /nfs/dbraw/zinc/82/26/56/343822656.db2.gz ASSANDBLBDNFPT-UHFFFAOYSA-N 0 0 180.211 1.084 10 0 ADAERN CNC(=O)N1C[C@@H](C)CC[C@@H]1C 127976086 343822675 /nfs/dbraw/zinc/82/26/75/343822675.db2.gz XCUQSHLHFMCCGV-YUMQZZPRSA-N 0 0 170.256 1.446 10 0 ADAERN C[C@@H]1CC[C@@H](n2c(=O)[nH][nH]c2=S)C1 128008767 343822796 /nfs/dbraw/zinc/82/27/96/343822796.db2.gz XDVMPSOVJNXJCP-PHDIDXHHSA-N 0 0 199.279 1.221 10 0 ADAERN O=C(C[C@H]1CCCCO1)C1CC1 128013571 343822871 /nfs/dbraw/zinc/82/28/71/343822871.db2.gz OLYKBDSAFMYMQH-SECBINFHSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@H]1CC[C@@H](n2c(=O)[nH][nH]c2=S)C1 128008990 343822874 /nfs/dbraw/zinc/82/28/74/343822874.db2.gz XDVMPSOVJNXJCP-NTSWFWBYSA-N 0 0 199.279 1.221 10 0 ADAERN O=C1NCC[C@H]1CC(F)(F)F 128008542 343822917 /nfs/dbraw/zinc/82/29/17/343822917.db2.gz KHRAEGJQEANCMC-BYPYZUCNSA-N 0 0 167.130 1.075 10 0 ADAERN CC(C)CC[C@@H]1CCNC1=O 128008957 343823070 /nfs/dbraw/zinc/82/30/70/343823070.db2.gz QNUMRAIMWIOTJC-MRVPVSSYSA-N 0 0 155.241 1.559 10 0 ADAERN O=C1NCC[C@@H]1CC(F)(F)F 128008728 343823181 /nfs/dbraw/zinc/82/31/81/343823181.db2.gz KHRAEGJQEANCMC-SCSAIBSYSA-N 0 0 167.130 1.075 10 0 ADAERN C[C@H]1CC[C@H](n2c(=O)[nH][nH]c2=S)C1 128008517 343823235 /nfs/dbraw/zinc/82/32/35/343823235.db2.gz XDVMPSOVJNXJCP-WDSKDSINSA-N 0 0 199.279 1.221 10 0 ADAERN O=C(C[C@@H]1CCCCO1)C1CC1 128013359 343823193 /nfs/dbraw/zinc/82/31/93/343823193.db2.gz OLYKBDSAFMYMQH-VIFPVBQESA-N 0 0 168.236 1.925 10 0 ADAERN CC(C)CC[C@H]1CCNC1=O 128009140 343823254 /nfs/dbraw/zinc/82/32/54/343823254.db2.gz QNUMRAIMWIOTJC-QMMMGPOBSA-N 0 0 155.241 1.559 10 0 ADAERN C[C@@H]1CC[C@H](n2c(=O)[nH][nH]c2=S)C1 128008272 343823281 /nfs/dbraw/zinc/82/32/81/343823281.db2.gz XDVMPSOVJNXJCP-RITPCOANSA-N 0 0 199.279 1.221 10 0 ADAERN CN(C(=O)n1ccnc1)C1CCC1 127996258 343823287 /nfs/dbraw/zinc/82/32/87/343823287.db2.gz DNPVFVVGECQILS-UHFFFAOYSA-N 0 0 179.223 1.336 10 0 ADAERN CN(c1nc(N)ns1)C1CCC1 128038084 343823411 /nfs/dbraw/zinc/82/34/11/343823411.db2.gz BVDIFAQBCCDGTA-UHFFFAOYSA-N 0 0 184.268 1.109 10 0 ADAERN C[C@@H]1CC[C@@H](N2C[C@H](CO)CC2=O)C1 128031874 343823432 /nfs/dbraw/zinc/82/34/32/343823432.db2.gz YXAKTTVJKOEYND-OPRDCNLKSA-N 0 0 197.278 1.016 10 0 ADAERN CC[C@@H]1CC(=O)N(C(C)(C)C)C(=O)N1 128025512 343823465 /nfs/dbraw/zinc/82/34/65/343823465.db2.gz WNSIAARQWIREGV-SSDOTTSWSA-N 0 0 198.266 1.505 10 0 ADAERN CC1(C)CC[C@@H](N2C[C@@H](O)CC2=O)C1 128028613 343823485 /nfs/dbraw/zinc/82/34/85/343823485.db2.gz VNWPGWXZOFVCIN-BDAKNGLRSA-N 0 0 197.278 1.158 10 0 ADAERN CC1(C)CC[C@@H](N2C[C@H](O)CC2=O)C1 128028150 343823623 /nfs/dbraw/zinc/82/36/23/343823623.db2.gz VNWPGWXZOFVCIN-RKDXNWHRSA-N 0 0 197.278 1.158 10 0 ADAERN CC1(C)CC[C@H](N2C[C@H](O)CC2=O)C1 128027922 343823707 /nfs/dbraw/zinc/82/37/07/343823707.db2.gz VNWPGWXZOFVCIN-DTWKUNHWSA-N 0 0 197.278 1.158 10 0 ADAERN CC[C@@H]1CC(=O)N(C(C)C)C(=O)N1 128025052 343823721 /nfs/dbraw/zinc/82/37/21/343823721.db2.gz SYISXSYRWBKLBC-SSDOTTSWSA-N 0 0 184.239 1.115 10 0 ADAERN C[C@@H]1CC[C@H](N2C[C@H](CO)CC2=O)C1 128031462 343823755 /nfs/dbraw/zinc/82/37/55/343823755.db2.gz YXAKTTVJKOEYND-BBBLOLIVSA-N 0 0 197.278 1.016 10 0 ADAERN CC1(C)CC[C@H](N2C[C@@H](O)CC2=O)C1 128028372 343823784 /nfs/dbraw/zinc/82/37/84/343823784.db2.gz VNWPGWXZOFVCIN-IUCAKERBSA-N 0 0 197.278 1.158 10 0 ADAERN Cn1nncc1[C@](C)(O)CC1CCC1 128064353 343823872 /nfs/dbraw/zinc/82/38/72/343823872.db2.gz AZCRXYOWBBGQFL-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN Cc1c(N)ncnc1N(C)C1CCC1 128058212 343823979 /nfs/dbraw/zinc/82/39/79/343823979.db2.gz QDZVXXHGUMVSMH-UHFFFAOYSA-N 0 0 192.266 1.356 10 0 ADAERN Cn1nncc1C(=O)c1cccs1 128079115 343824012 /nfs/dbraw/zinc/82/40/12/343824012.db2.gz YTTMSLDRBQLWBX-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN Cn1nncc1[C@@](C)(O)CC1CCC1 128064572 343824023 /nfs/dbraw/zinc/82/40/23/343824023.db2.gz AZCRXYOWBBGQFL-JTQLQIEISA-N 0 0 195.266 1.213 10 0 ADAERN CN(c1cncc(N)c1)C1CCC1 128059400 343824055 /nfs/dbraw/zinc/82/40/55/343824055.db2.gz IFSQSJXMKKCDGD-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN CSC[C@H](C)n1cnnc1Cl 128045861 343824082 /nfs/dbraw/zinc/82/40/82/343824082.db2.gz ZCDIHQVIRHAJNT-YFKPBYRVSA-N 0 0 191.687 1.856 10 0 ADAERN C[C@@H]1CC[C@@H](N2C(=S)N=NC2N)C1 128055161 343824126 /nfs/dbraw/zinc/82/41/26/343824126.db2.gz WWVBRTBHIACSLE-PHDIDXHHSA-N 0 0 198.295 1.510 10 0 ADAERN C[C@H]1CC[C@H](N2C(=S)N=NC2N)C1 128054901 343824130 /nfs/dbraw/zinc/82/41/30/343824130.db2.gz WWVBRTBHIACSLE-WDSKDSINSA-N 0 0 198.295 1.510 10 0 ADAERN CC[C@H]1CCNc2c(C)nn(C)c2N1 128079431 343824133 /nfs/dbraw/zinc/82/41/33/343824133.db2.gz CTFKNNYVWAGTQQ-QMMMGPOBSA-N 0 0 194.282 1.735 10 0 ADAERN CC[C@@H]1CCNc2c(C)nn(C)c2N1 128079233 343824147 /nfs/dbraw/zinc/82/41/47/343824147.db2.gz CTFKNNYVWAGTQQ-MRVPVSSYSA-N 0 0 194.282 1.735 10 0 ADAERN CSC[C@@H](C)n1cnnc1Cl 128046060 343824234 /nfs/dbraw/zinc/82/42/34/343824234.db2.gz ZCDIHQVIRHAJNT-RXMQYKEDSA-N 0 0 191.687 1.856 10 0 ADAERN C[C@@H]1CC[C@H](N2C(=S)N=NC2N)C1 128054705 343824263 /nfs/dbraw/zinc/82/42/63/343824263.db2.gz WWVBRTBHIACSLE-RITPCOANSA-N 0 0 198.295 1.510 10 0 ADAERN Cn1nncc1C(=O)c1ccsc1 128082189 343824280 /nfs/dbraw/zinc/82/42/80/343824280.db2.gz WKYYHSDKNFSUFL-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CN(c1cnc(N)cn1)C1CCC1 128052203 343824286 /nfs/dbraw/zinc/82/42/86/343824286.db2.gz UISFBSBIRVFSEF-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN C[C@H]1CC[C@@H](N2C(=S)N=NC2N)C1 128055391 343824291 /nfs/dbraw/zinc/82/42/91/343824291.db2.gz WWVBRTBHIACSLE-NTSWFWBYSA-N 0 0 198.295 1.510 10 0 ADAERN C[C@@H]1CC[C@@H](Nc2nc(N)ns2)C1 128098935 343824491 /nfs/dbraw/zinc/82/44/91/343824491.db2.gz VQGQWVDCWMVOKE-PHDIDXHHSA-N 0 0 198.295 1.721 10 0 ADAERN Cc1c[nH]c(=O)n1C1CCC1 128093399 343824486 /nfs/dbraw/zinc/82/44/86/343824486.db2.gz CDSZXEXZTYYNGL-UHFFFAOYSA-N 0 0 152.197 1.210 10 0 ADAERN C[C@H]1CC[C@@H](Nc2nc(N)ns2)C1 128099157 343824545 /nfs/dbraw/zinc/82/45/45/343824545.db2.gz VQGQWVDCWMVOKE-NTSWFWBYSA-N 0 0 198.295 1.721 10 0 ADAERN CC1(C)CC[C@@H](n2nnnc2N)C1 128104353 343824717 /nfs/dbraw/zinc/82/47/17/343824717.db2.gz MOIVKJSFTVJYOZ-ZCFIWIBFSA-N 0 0 181.243 1.007 10 0 ADAERN CCc1c[nH]c(=O)n1C1CCC1 128093004 343824720 /nfs/dbraw/zinc/82/47/20/343824720.db2.gz NAEYXBYZURBUHF-UHFFFAOYSA-N 0 0 166.224 1.464 10 0 ADAERN Cn1nncc1C(=O)C1CCCCC1 128088108 343824726 /nfs/dbraw/zinc/82/47/26/343824726.db2.gz DZUSFPLNUYFGRP-UHFFFAOYSA-N 0 0 193.250 1.578 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1cccc(N)c1 128112397 343824741 /nfs/dbraw/zinc/82/47/41/343824741.db2.gz ULCKREXEWOGQIP-MRVPVSSYSA-N 0 0 194.278 1.840 10 0 ADAERN Cn1nncc1C(=O)CC(C)(C)C 128104959 343824759 /nfs/dbraw/zinc/82/47/59/343824759.db2.gz VVQIRPOAILXMFQ-UHFFFAOYSA-N 0 0 181.239 1.434 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1cccnc1N 128115967 343825147 /nfs/dbraw/zinc/82/51/47/343825147.db2.gz SEHNWFKNAMFKIF-SSDOTTSWSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2cnnn2C)C1 128122611 343825171 /nfs/dbraw/zinc/82/51/71/343825171.db2.gz MIZBHWYHTMQDSK-YUMQZZPRSA-N 0 0 193.250 1.434 10 0 ADAERN C[C@@H]1CC[C@H](Nc2ccc(N)nn2)C1 128116754 343825234 /nfs/dbraw/zinc/82/52/34/343825234.db2.gz NYCNVAQIHLKTQQ-SFYZADRCSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2cnnn2C)C1 128122859 343825252 /nfs/dbraw/zinc/82/52/52/343825252.db2.gz MIZBHWYHTMQDSK-HTQZYQBOSA-N 0 0 193.250 1.434 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2cnnn2C)C1 128122368 343825302 /nfs/dbraw/zinc/82/53/02/343825302.db2.gz MIZBHWYHTMQDSK-SFYZADRCSA-N 0 0 193.250 1.434 10 0 ADAERN Cc1cccc(-c2nc(N)n(C)n2)c1 128182169 343825845 /nfs/dbraw/zinc/82/58/45/343825845.db2.gz KHXRLCDOFLRVCJ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cn1nc(CCC2CCCC2)nc1N 128185783 343825894 /nfs/dbraw/zinc/82/58/94/343825894.db2.gz UQPHFIOHZUAYQS-UHFFFAOYSA-N 0 0 194.282 1.520 10 0 ADAERN Cn1nc(-c2cccc(F)c2)nc1N 128182648 343825964 /nfs/dbraw/zinc/82/59/64/343825964.db2.gz UDRYCRXFVVMIMM-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1nc([C@]2(C)CCCS2)nc1N 128203644 343826326 /nfs/dbraw/zinc/82/63/26/343826326.db2.gz XBRIDEKLUJQDKN-QMMMGPOBSA-N 0 0 198.295 1.140 10 0 ADAERN CC1(C)CC[C@H](N2CCNC2=O)C1 128222754 343826341 /nfs/dbraw/zinc/82/63/41/343826341.db2.gz OFKFVXVADFXPKH-QMMMGPOBSA-N 0 0 182.267 1.590 10 0 ADAERN Cn1nc([C@@]2(C)CCCS2)nc1N 128203403 343826368 /nfs/dbraw/zinc/82/63/68/343826368.db2.gz XBRIDEKLUJQDKN-MRVPVSSYSA-N 0 0 198.295 1.140 10 0 ADAERN C[C@@H]1CC[C@H](n2cnnc2CO)C1 128217898 343826375 /nfs/dbraw/zinc/82/63/75/343826375.db2.gz OIXMMRHPNFTWRC-SFYZADRCSA-N 0 0 181.239 1.132 10 0 ADAERN Cn1nc(CC2CCCCC2)nc1N 128222866 343826379 /nfs/dbraw/zinc/82/63/79/343826379.db2.gz JQOGHQHLMRQAGV-UHFFFAOYSA-N 0 0 194.282 1.520 10 0 ADAERN C[C@H]1CC[C@@H](N2CCNC2=O)C1 128221574 343826393 /nfs/dbraw/zinc/82/63/93/343826393.db2.gz PDFXQOHTENBQQH-JGVFFNPUSA-N 0 0 168.240 1.200 10 0 ADAERN C[C@H]1CC[C@@H](N2CCCNC2=O)C1 128222516 343826399 /nfs/dbraw/zinc/82/63/99/343826399.db2.gz YCQLTNDAXHSGJI-DTWKUNHWSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1ccc(-c2nc(N)n(C)n2)cc1 128218338 343826401 /nfs/dbraw/zinc/82/64/01/343826401.db2.gz RZNTZPNRUHCERF-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC1(C)CC[C@@H](N2CCCNC2=O)C1 128223500 343826404 /nfs/dbraw/zinc/82/64/04/343826404.db2.gz PMECXWNLXJASEK-SECBINFHSA-N 0 0 196.294 1.980 10 0 ADAERN C[C@@H]1CC[C@@H](N2CCCNC2=O)C1 128222294 343826416 /nfs/dbraw/zinc/82/64/16/343826416.db2.gz YCQLTNDAXHSGJI-RKDXNWHRSA-N 0 0 182.267 1.590 10 0 ADAERN Cn1nc(C2CCCCCC2)nc1N 128198390 343826418 /nfs/dbraw/zinc/82/64/18/343826418.db2.gz CJTRQJHVBRSTJG-UHFFFAOYSA-N 0 0 194.282 1.835 10 0 ADAERN C[C@@H]1CC[C@H](N2CCNC2=O)C1 128220905 343826421 /nfs/dbraw/zinc/82/64/21/343826421.db2.gz PDFXQOHTENBQQH-SFYZADRCSA-N 0 0 168.240 1.200 10 0 ADAERN C[C@H]1CC[C@H](n2cnnc2CO)C1 128218115 343826444 /nfs/dbraw/zinc/82/64/44/343826444.db2.gz OIXMMRHPNFTWRC-YUMQZZPRSA-N 0 0 181.239 1.132 10 0 ADAERN C[C@@H]1CC[C@H](N2CCCNC2=O)C1 128221817 343826445 /nfs/dbraw/zinc/82/64/45/343826445.db2.gz YCQLTNDAXHSGJI-BDAKNGLRSA-N 0 0 182.267 1.590 10 0 ADAERN CCC(C)(C)c1nc(N)n(C)n1 128211152 343826446 /nfs/dbraw/zinc/82/64/46/343826446.db2.gz ZQVJIBMJIFGBMX-UHFFFAOYSA-N 0 0 168.244 1.085 10 0 ADAERN CC1(C)CC[C@@H](N2CCNC2=O)C1 128222994 343826526 /nfs/dbraw/zinc/82/65/26/343826526.db2.gz OFKFVXVADFXPKH-MRVPVSSYSA-N 0 0 182.267 1.590 10 0 ADAERN Cn1nc(CC2CCCC2)nc1N 128196349 343826532 /nfs/dbraw/zinc/82/65/32/343826532.db2.gz SISHGOHPJUTZNZ-UHFFFAOYSA-N 0 0 180.255 1.130 10 0 ADAERN Cc1cscc1-c1nc(N)n(C)n1 128214284 343826535 /nfs/dbraw/zinc/82/65/35/343826535.db2.gz YQLBCPKYSLWCHW-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN C[C@H]1CC[C@H](N2CCNC2=O)C1 128221115 343826539 /nfs/dbraw/zinc/82/65/39/343826539.db2.gz PDFXQOHTENBQQH-YUMQZZPRSA-N 0 0 168.240 1.200 10 0 ADAERN Cn1nc(-c2ccc(F)cc2)nc1N 128205468 343826550 /nfs/dbraw/zinc/82/65/50/343826550.db2.gz NBPAPVAHUSSQPU-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN C[C@H]1CC[C@@H](n2cnnc2CO)C1 128218569 343826551 /nfs/dbraw/zinc/82/65/51/343826551.db2.gz OIXMMRHPNFTWRC-JGVFFNPUSA-N 0 0 181.239 1.132 10 0 ADAERN C[C@H]1CC[C@H](N2CCCNC2=O)C1 128222057 343826562 /nfs/dbraw/zinc/82/65/62/343826562.db2.gz YCQLTNDAXHSGJI-IUCAKERBSA-N 0 0 182.267 1.590 10 0 ADAERN Cn1nc(-c2ccccc2F)nc1N 128219768 343826564 /nfs/dbraw/zinc/82/65/64/343826564.db2.gz UTIZQOLMNZZAME-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN C[C@@H]1CC[C@@H](N2CCNC2=O)C1 128221325 343826597 /nfs/dbraw/zinc/82/65/97/343826597.db2.gz PDFXQOHTENBQQH-HTQZYQBOSA-N 0 0 168.240 1.200 10 0 ADAERN O[C@@H](C[C@@H]1CCCCO1)C1CC1 128246477 343826856 /nfs/dbraw/zinc/82/68/56/343826856.db2.gz HHUIJFKFMBVKFL-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN O[C@@H](C[C@H]1CCCCO1)C1CC1 128246724 343826883 /nfs/dbraw/zinc/82/68/83/343826883.db2.gz HHUIJFKFMBVKFL-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1ccsc1-c1nc(N)n(C)n1 128243619 343826934 /nfs/dbraw/zinc/82/69/34/343826934.db2.gz LRMZRQKPSXQYHL-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN C[C@@H](Cc1nc(N)n(C)n1)C(C)(C)C 128234746 343826984 /nfs/dbraw/zinc/82/69/84/343826984.db2.gz MDXZQMOMLKEVFP-ZETCQYMHSA-N 0 0 196.298 1.622 10 0 ADAERN Cn1nc(C2C(C)(C)C2(C)C)nc1N 128249679 343826994 /nfs/dbraw/zinc/82/69/94/343826994.db2.gz MUUADHDIIZGSDB-UHFFFAOYSA-N 0 0 194.282 1.547 10 0 ADAERN Cn1nc(Cc2ccsc2)nc1N 128245179 343827000 /nfs/dbraw/zinc/82/70/00/343827000.db2.gz OQVYEUOTPYUXSL-UHFFFAOYSA-N 0 0 194.263 1.050 10 0 ADAERN C[C@H](Cc1nc(N)n(C)n1)C(C)(C)C 128234960 343827008 /nfs/dbraw/zinc/82/70/08/343827008.db2.gz MDXZQMOMLKEVFP-SSDOTTSWSA-N 0 0 196.298 1.622 10 0 ADAERN C[C@H]1CC[C@H](NCc2ncn(C)n2)C1 128238129 343827090 /nfs/dbraw/zinc/82/70/90/343827090.db2.gz YXYAAMJGTGBXNO-IUCAKERBSA-N 0 0 194.282 1.093 10 0 ADAERN C[C@H]1CC[C@@H](NCc2ncn(C)n2)C1 128238581 343827192 /nfs/dbraw/zinc/82/71/92/343827192.db2.gz YXYAAMJGTGBXNO-DTWKUNHWSA-N 0 0 194.282 1.093 10 0 ADAERN O[C@H](C[C@H]1CCCCO1)C1CC1 128247148 343827159 /nfs/dbraw/zinc/82/71/59/343827159.db2.gz HHUIJFKFMBVKFL-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN O[C@H](C[C@@H]1CCCCO1)C1CC1 128246937 343827177 /nfs/dbraw/zinc/82/71/77/343827177.db2.gz HHUIJFKFMBVKFL-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN Cn1nc(Cc2cccs2)nc1N 128232139 343827306 /nfs/dbraw/zinc/82/73/06/343827306.db2.gz NZGTWGGSLXMFMQ-UHFFFAOYSA-N 0 0 194.263 1.050 10 0 ADAERN Cn1nc([C@@H]2CCCCS2)nc1N 128251761 343827431 /nfs/dbraw/zinc/82/74/31/343827431.db2.gz ICDJZXYEKWHVMH-LURJTMIESA-N 0 0 198.295 1.356 10 0 ADAERN CC(C)[C@H](C)c1nc(N)n(C)n1 128260980 343827469 /nfs/dbraw/zinc/82/74/69/343827469.db2.gz CVIDMRWQBJMXEA-LURJTMIESA-N 0 0 168.244 1.157 10 0 ADAERN Cc1ccccc1-c1nc(N)n(C)n1 128254317 343827508 /nfs/dbraw/zinc/82/75/08/343827508.db2.gz JISSHUABRPIVQK-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCc1ccc(-c2nc(N)n(C)n2)o1 128271368 343827546 /nfs/dbraw/zinc/82/75/46/343827546.db2.gz BSFIMKPZBFMHJS-UHFFFAOYSA-N 0 0 192.222 1.220 10 0 ADAERN CCC[C@@H](C)c1nc(N)n(C)n1 128259595 343827596 /nfs/dbraw/zinc/82/75/96/343827596.db2.gz XTEZZSNMDYWRJB-ZCFIWIBFSA-N 0 0 168.244 1.301 10 0 ADAERN Cc1ccc(-c2nc(N)n(C)n2)s1 128266572 343827690 /nfs/dbraw/zinc/82/76/90/343827690.db2.gz KNNAKXDJCNUQMH-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCC[C@H](C)c1nc(N)n(C)n1 128259846 343827707 /nfs/dbraw/zinc/82/77/07/343827707.db2.gz XTEZZSNMDYWRJB-LURJTMIESA-N 0 0 168.244 1.301 10 0 ADAERN CC1CCC(c2nc(N)n(C)n2)CC1 128263140 343827728 /nfs/dbraw/zinc/82/77/28/343827728.db2.gz YALJUYFZBWYQOU-UHFFFAOYSA-N 0 0 194.282 1.691 10 0 ADAERN Cn1nc([C@H]2CCCCS2)nc1N 128251990 343827812 /nfs/dbraw/zinc/82/78/12/343827812.db2.gz ICDJZXYEKWHVMH-ZCFIWIBFSA-N 0 0 198.295 1.356 10 0 ADAERN CC(C)[C@@H](C)c1nc(N)n(C)n1 128260729 343827824 /nfs/dbraw/zinc/82/78/24/343827824.db2.gz CVIDMRWQBJMXEA-ZCFIWIBFSA-N 0 0 168.244 1.157 10 0 ADAERN CSCC[C@H](C)[C@H](C)O 130273187 343865775 /nfs/dbraw/zinc/86/57/75/343865775.db2.gz ZSJHOGYRODBXBR-BQBZGAKWSA-N 0 0 148.271 1.756 10 0 ADAERN CCC(CC)c1nc(N)n(C)n1 128258440 343827870 /nfs/dbraw/zinc/82/78/70/343827870.db2.gz GQPHEYRARXBPEQ-UHFFFAOYSA-N 0 0 168.244 1.301 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cn(C)nc1C 128301807 343828163 /nfs/dbraw/zinc/82/81/63/343828163.db2.gz YTWGWBHAUQMUKN-BDAKNGLRSA-N 0 0 178.235 1.421 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cn(C)nc1C 128302251 343828247 /nfs/dbraw/zinc/82/82/47/343828247.db2.gz YTWGWBHAUQMUKN-IUCAKERBSA-N 0 0 178.235 1.421 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cn(C)nc1C 128302025 343828357 /nfs/dbraw/zinc/82/83/57/343828357.db2.gz YTWGWBHAUQMUKN-DTWKUNHWSA-N 0 0 178.235 1.421 10 0 ADAERN C[C@@H]1CN(C(=O)N2CCCC2)C[C@@H]1C 128324038 343828610 /nfs/dbraw/zinc/82/86/10/343828610.db2.gz HBPCDHGPKLMJMV-AOOOYVTPSA-N 0 0 196.294 1.790 10 0 ADAERN C[C@H]1CN(C(=O)N2CCCC2)C[C@@H]1C 128324230 343828864 /nfs/dbraw/zinc/82/88/64/343828864.db2.gz HBPCDHGPKLMJMV-UWVGGRQHSA-N 0 0 196.294 1.790 10 0 ADAERN C[C@@H]1CN(C(=O)N2CCCC2)C[C@H]1C 128324469 343828871 /nfs/dbraw/zinc/82/88/71/343828871.db2.gz HBPCDHGPKLMJMV-NXEZZACHSA-N 0 0 196.294 1.790 10 0 ADAERN Cn1cc(C(N)=S)c(C(C)(C)C)n1 128304838 343828882 /nfs/dbraw/zinc/82/88/82/343828882.db2.gz GHEBXQCMTHJIJA-UHFFFAOYSA-N 0 0 197.307 1.352 10 0 ADAERN Cc1sc(CC2CC2)nc1N 131894006 343890693 /nfs/dbraw/zinc/89/06/93/343890693.db2.gz HMPAWDHHECYYQB-UHFFFAOYSA-N 0 0 168.265 1.986 10 0 ADAERN Cc1cccc(C)c1CNO 131966192 343891833 /nfs/dbraw/zinc/89/18/33/343891833.db2.gz CDRBBLSGPSZZQC-UHFFFAOYSA-N 0 0 151.209 1.782 10 0 ADAERN CC[C@@]1(C)CNC(=O)N(C(C)C)C1=O 128427248 343831075 /nfs/dbraw/zinc/83/10/75/343831075.db2.gz IFVBJCPAQOYNBV-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN CC[C@@]1(C)CNC(=O)N(C2CC2)C1=O 128423556 343831130 /nfs/dbraw/zinc/83/11/30/343831130.db2.gz LYRUZCIXUCSSBK-JTQLQIEISA-N 0 0 196.250 1.117 10 0 ADAERN Cc1nn(C)cc1[C@H](O)C(C)(C)C 128439544 343831133 /nfs/dbraw/zinc/83/11/33/343831133.db2.gz SPVJMLYDIHPWRP-VIFPVBQESA-N 0 0 182.267 1.808 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1nccs1 128434160 343831154 /nfs/dbraw/zinc/83/11/54/343831154.db2.gz CDNSEDNXVPBCTH-ZCFIWIBFSA-N 0 0 186.280 1.714 10 0 ADAERN CCCN1C(=O)NC[C@](C)(CC)C1=O 128426573 343831173 /nfs/dbraw/zinc/83/11/73/343831173.db2.gz HMRRFSWPHJKEPC-JTQLQIEISA-N 0 0 198.266 1.365 10 0 ADAERN C[C@H](O)C(C)(C)Nc1ccccn1 128429654 343831184 /nfs/dbraw/zinc/83/11/84/343831184.db2.gz GKUJSVIHRIUEMJ-QMMMGPOBSA-N 0 0 180.251 1.653 10 0 ADAERN CC[C@]1(C)CNC(=O)N(C(C)C)C1=O 128427071 343831198 /nfs/dbraw/zinc/83/11/98/343831198.db2.gz IFVBJCPAQOYNBV-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN C[C@H](O)C(C)(C)Nc1ccc(F)cn1 128442709 343831201 /nfs/dbraw/zinc/83/12/01/343831201.db2.gz PLFXMDGDTUFEQR-ZETCQYMHSA-N 0 0 198.241 1.792 10 0 ADAERN CCCN1C(=O)NC[C@@](C)(CC)C1=O 128426828 343831226 /nfs/dbraw/zinc/83/12/26/343831226.db2.gz HMRRFSWPHJKEPC-SNVBAGLBSA-N 0 0 198.266 1.365 10 0 ADAERN ON[C@H]1CCC[C@@H](C2CC2)C1 132075421 343893721 /nfs/dbraw/zinc/89/37/21/343893721.db2.gz PIXRDBFBEKOZGO-BDAKNGLRSA-N 0 0 155.241 1.934 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1nncs1 128433642 343831417 /nfs/dbraw/zinc/83/14/17/343831417.db2.gz VFTJHTYCPVBXHX-RXMQYKEDSA-N 0 0 187.268 1.109 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1ccccn1 128429881 343831420 /nfs/dbraw/zinc/83/14/20/343831420.db2.gz GKUJSVIHRIUEMJ-MRVPVSSYSA-N 0 0 180.251 1.653 10 0 ADAERN Cc1nn(C)cc1[C@H](O)C(C)C 128439049 343831435 /nfs/dbraw/zinc/83/14/35/343831435.db2.gz JHKZOBZRBYRKAR-SECBINFHSA-N 0 0 168.240 1.418 10 0 ADAERN Cc1nn(C)cc1[C@@H](O)C(C)(C)C 128439745 343831460 /nfs/dbraw/zinc/83/14/60/343831460.db2.gz SPVJMLYDIHPWRP-SECBINFHSA-N 0 0 182.267 1.808 10 0 ADAERN C[C@H](O)C(C)(C)Nc1nncs1 128433401 343831484 /nfs/dbraw/zinc/83/14/84/343831484.db2.gz VFTJHTYCPVBXHX-YFKPBYRVSA-N 0 0 187.268 1.109 10 0 ADAERN Cc1nn(C)cc1[C@@H](O)C(C)C 128439287 343831545 /nfs/dbraw/zinc/83/15/45/343831545.db2.gz JHKZOBZRBYRKAR-VIFPVBQESA-N 0 0 168.240 1.418 10 0 ADAERN CC[C@]1(C)CNC(=O)N(C2CC2)C1=O 128423298 343831559 /nfs/dbraw/zinc/83/15/59/343831559.db2.gz LYRUZCIXUCSSBK-SNVBAGLBSA-N 0 0 196.250 1.117 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cn(C)nc1C 128466770 343831750 /nfs/dbraw/zinc/83/17/50/343831750.db2.gz KHCDXAGSVPAYCR-OIBJUYFYSA-N 0 0 182.267 1.808 10 0 ADAERN Cc1nn(C)cc1[C@@H](O)c1ccco1 128450682 343831817 /nfs/dbraw/zinc/83/18/17/343831817.db2.gz JQAKKJNJMPVQEF-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN CCCNc1ncc(F)cn1 128456835 343831877 /nfs/dbraw/zinc/83/18/77/343831877.db2.gz LKSSUIAKXJVEES-UHFFFAOYSA-N 0 0 155.176 1.438 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cn(C)nc1C 128466115 343831887 /nfs/dbraw/zinc/83/18/87/343831887.db2.gz KHCDXAGSVPAYCR-XCBNKYQSSA-N 0 0 182.267 1.808 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1ccc(F)cn1 128442916 343831939 /nfs/dbraw/zinc/83/19/39/343831939.db2.gz PLFXMDGDTUFEQR-SSDOTTSWSA-N 0 0 198.241 1.792 10 0 ADAERN C[C@H](O)C(C)(C)Nc1ncns1 128451883 343831989 /nfs/dbraw/zinc/83/19/89/343831989.db2.gz AZOTXRKNGOBTLY-YFKPBYRVSA-N 0 0 187.268 1.109 10 0 ADAERN Cc1nn(C)cc1[C@H](O)c1ccco1 128450480 343832177 /nfs/dbraw/zinc/83/21/77/343832177.db2.gz JQAKKJNJMPVQEF-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN Cc1nccnc1NC(C)(C)[C@H](C)O 128444478 343832173 /nfs/dbraw/zinc/83/21/73/343832173.db2.gz WCTHUCCKCIWYKT-QMMMGPOBSA-N 0 0 195.266 1.356 10 0 ADAERN Cc1nccnc1NC(C)(C)[C@@H](C)O 128444238 343832357 /nfs/dbraw/zinc/83/23/57/343832357.db2.gz WCTHUCCKCIWYKT-MRVPVSSYSA-N 0 0 195.266 1.356 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cn(C)nc1C 128466551 343832366 /nfs/dbraw/zinc/83/23/66/343832366.db2.gz KHCDXAGSVPAYCR-GMSGAONNSA-N 0 0 182.267 1.808 10 0 ADAERN OCc1ncnn1C1CCCCCC1 128481702 343832666 /nfs/dbraw/zinc/83/26/66/343832666.db2.gz UTLZNNTXPVDKER-UHFFFAOYSA-N 0 0 195.266 1.666 10 0 ADAERN CC(C)=C[C@@H](O)c1cn(C)nc1C 128542135 343833249 /nfs/dbraw/zinc/83/32/49/343833249.db2.gz VVEMOHFGIPEEFX-SNVBAGLBSA-N 0 0 180.251 1.728 10 0 ADAERN Cc1nn(C)cc1[C@H](O)c1ccoc1 128547470 343833280 /nfs/dbraw/zinc/83/32/80/343833280.db2.gz SCIOAMPHIIRANI-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN NNCc1cncc2ccccc12 128546269 343833302 /nfs/dbraw/zinc/83/33/02/343833302.db2.gz LPAFRBHFXCOWNI-UHFFFAOYSA-N 0 0 173.219 1.198 10 0 ADAERN Cc1nn(C)cc1[C@@H](O)c1ccoc1 128547712 343833353 /nfs/dbraw/zinc/83/33/53/343833353.db2.gz SCIOAMPHIIRANI-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN CCC(=O)[C@@](C)(CC)OC 128550502 343833453 /nfs/dbraw/zinc/83/34/53/343833453.db2.gz OTHRPUMKSXUENI-MRVPVSSYSA-N 0 0 144.214 1.781 10 0 ADAERN CC(C)=C[C@H](O)c1cn(C)nc1C 128542370 343833457 /nfs/dbraw/zinc/83/34/57/343833457.db2.gz VVEMOHFGIPEEFX-JTQLQIEISA-N 0 0 180.251 1.728 10 0 ADAERN CCC(=O)[C@](C)(CC)OC 128550726 343833465 /nfs/dbraw/zinc/83/34/65/343833465.db2.gz OTHRPUMKSXUENI-QMMMGPOBSA-N 0 0 144.214 1.781 10 0 ADAERN C[C@H](O)C(C)(C)n1cccc1 128537936 343833496 /nfs/dbraw/zinc/83/34/96/343833496.db2.gz SHEKJFGOCZIFPQ-QMMMGPOBSA-N 0 0 153.225 1.604 10 0 ADAERN C[C@@H](O)C(C)(C)n1cccc1 128538141 343833515 /nfs/dbraw/zinc/83/35/15/343833515.db2.gz SHEKJFGOCZIFPQ-MRVPVSSYSA-N 0 0 153.225 1.604 10 0 ADAERN CC(C)[C@@H](C)CN1C(=O)CN[C@@H]1C 128554963 343833978 /nfs/dbraw/zinc/83/39/78/343833978.db2.gz CLIMVVQISVZADY-IUCAKERBSA-N 0 0 184.283 1.056 10 0 ADAERN Cc1nn(C)cc1-c1noc(Cl)n1 128569517 343834120 /nfs/dbraw/zinc/83/41/20/343834120.db2.gz GAPQJZUMYVXBOI-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN CC(C)[C@H](C)CN1C(=O)CN[C@H]1C 128554325 343834158 /nfs/dbraw/zinc/83/41/58/343834158.db2.gz CLIMVVQISVZADY-RKDXNWHRSA-N 0 0 184.283 1.056 10 0 ADAERN CCNc1cncc(N[C@H](C)CO)c1 128570210 343834184 /nfs/dbraw/zinc/83/41/84/343834184.db2.gz PRORMJCXVVDBKK-MRVPVSSYSA-N 0 0 195.266 1.306 10 0 ADAERN CCOC(=N)c1cn(C)nc1C 128570711 343834196 /nfs/dbraw/zinc/83/41/96/343834196.db2.gz RKLKIJQHKKCLSH-UHFFFAOYSA-N 0 0 167.212 1.090 10 0 ADAERN COC(=O)Nc1cccnc1C 128573991 343834223 /nfs/dbraw/zinc/83/42/23/343834223.db2.gz ZALDUESCIDMCEZ-UHFFFAOYSA-N 0 0 166.180 1.568 10 0 ADAERN CC(C)[C@H](C)CN1C(=O)CN[C@@H]1C 128554575 343834263 /nfs/dbraw/zinc/83/42/63/343834263.db2.gz CLIMVVQISVZADY-BDAKNGLRSA-N 0 0 184.283 1.056 10 0 ADAERN COC(=N)c1cn(C)nc1C(C)(C)C 128570014 343834271 /nfs/dbraw/zinc/83/42/71/343834271.db2.gz KNVNPEISJTVIQF-UHFFFAOYSA-N 0 0 195.266 1.689 10 0 ADAERN CC(C)[C@@H](C)CN1C(=O)CN[C@H]1C 128554785 343834281 /nfs/dbraw/zinc/83/42/81/343834281.db2.gz CLIMVVQISVZADY-DTWKUNHWSA-N 0 0 184.283 1.056 10 0 ADAERN CCc1nccn1-c1ncc(F)cn1 128616177 343834685 /nfs/dbraw/zinc/83/46/85/343834685.db2.gz PTIIYJMSLQLWHY-UHFFFAOYSA-N 0 0 192.197 1.364 10 0 ADAERN Cc1nccn1-c1ncc(F)cn1 128615935 343834859 /nfs/dbraw/zinc/83/48/59/343834859.db2.gz KVLIQCAUTGMSRD-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN Cc1ccn(-c2ncc(F)cn2)n1 128616657 343834969 /nfs/dbraw/zinc/83/49/69/343834969.db2.gz NLLDJZIGUCHADR-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN COC[C@H](C)n1cnc2c1CCCC2 128647381 343835133 /nfs/dbraw/zinc/83/51/33/343835133.db2.gz CDPMTMCLSCCILI-VIFPVBQESA-N 0 0 194.278 1.969 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@H](C)C1 128625315 343835162 /nfs/dbraw/zinc/83/51/62/343835162.db2.gz HUCWTERMHMMIKO-DXMIZCBPSA-N 0 0 167.252 1.867 10 0 ADAERN CC[C@@H](NN)[C@H]1CSCCS1 128640605 343835169 /nfs/dbraw/zinc/83/51/69/343835169.db2.gz MGJVYSZCXYIYEZ-RNFRBKRXSA-N 0 0 192.353 1.077 10 0 ADAERN CC[C@H](NN)[C@@H]1CSCCS1 128639938 343835174 /nfs/dbraw/zinc/83/51/74/343835174.db2.gz MGJVYSZCXYIYEZ-BQBZGAKWSA-N 0 0 192.353 1.077 10 0 ADAERN CNC(=O)Nc1cccnc1C 128652636 343835219 /nfs/dbraw/zinc/83/52/19/343835219.db2.gz LXADCPNWZTYSCP-UHFFFAOYSA-N 0 0 165.196 1.141 10 0 ADAERN CCNC(=O)Nc1cccnc1C 128651359 343835431 /nfs/dbraw/zinc/83/54/31/343835431.db2.gz SZVRTCXHTBYQDQ-UHFFFAOYSA-N 0 0 179.223 1.531 10 0 ADAERN CC[C@@H](NN)[C@@H]1CSCCS1 128640168 343835465 /nfs/dbraw/zinc/83/54/65/343835465.db2.gz MGJVYSZCXYIYEZ-RQJHMYQMSA-N 0 0 192.353 1.077 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@@H](C)C1 128625733 343835532 /nfs/dbraw/zinc/83/55/32/343835532.db2.gz HUCWTERMHMMIKO-HUGTUPKYSA-N 0 0 167.252 1.867 10 0 ADAERN C/C=C/C(=O)N[C@H]1CC[C@@H](C)C1 128625948 343835543 /nfs/dbraw/zinc/83/55/43/343835543.db2.gz HUCWTERMHMMIKO-BKIAHZASSA-N 0 0 167.252 1.867 10 0 ADAERN C/C=C/C(=O)N[C@H]1CC[C@H](C)C1 128625539 343835559 /nfs/dbraw/zinc/83/55/59/343835559.db2.gz HUCWTERMHMMIKO-FBFNWGNUSA-N 0 0 167.252 1.867 10 0 ADAERN COC[C@@H](C)n1cnc2c1CCCC2 128647590 343835584 /nfs/dbraw/zinc/83/55/84/343835584.db2.gz CDPMTMCLSCCILI-SECBINFHSA-N 0 0 194.278 1.969 10 0 ADAERN Cc1nn(C)cc1-c1ncsc1N 128679353 343835609 /nfs/dbraw/zinc/83/56/09/343835609.db2.gz HTHCQNUTFMHSTD-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC[C@H](NN)[C@H]1CSCCS1 128640338 343835669 /nfs/dbraw/zinc/83/56/69/343835669.db2.gz MGJVYSZCXYIYEZ-NKWVEPMBSA-N 0 0 192.353 1.077 10 0 ADAERN Cc1nn(C)cc1[C@@H]1NCCCS1 128688428 343836198 /nfs/dbraw/zinc/83/61/98/343836198.db2.gz UXTLLTWVVCIOIJ-SECBINFHSA-N 0 0 197.307 1.454 10 0 ADAERN Cc1nn(C)cc1[C@H]1NC[C@H](C)S1 128685565 343835836 /nfs/dbraw/zinc/83/58/36/343835836.db2.gz LKBDOHKWOKRODM-RCOVLWMOSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1nn(C)cc1[C@H]1N[C@H](C)CS1 128687305 343835847 /nfs/dbraw/zinc/83/58/47/343835847.db2.gz HQQKMRAGBVRDOX-MUWHJKNJSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1nn(C)cc1[C@H]1NCCS1 128684306 343835894 /nfs/dbraw/zinc/83/58/94/343835894.db2.gz FMXXRJVJODFSEL-QMMMGPOBSA-N 0 0 183.280 1.064 10 0 ADAERN Cc1nn(C)cc1[C@H]1NC[C@@H](C)S1 128686043 343835923 /nfs/dbraw/zinc/83/59/23/343835923.db2.gz LKBDOHKWOKRODM-MUWHJKNJSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1ccc(N)cc1-c1cnnn1C 128685235 343835941 /nfs/dbraw/zinc/83/59/41/343835941.db2.gz ZALYFIRRLLWCDD-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nn(C)cc1[C@H]1NCCCS1 128688646 343835971 /nfs/dbraw/zinc/83/59/71/343835971.db2.gz UXTLLTWVVCIOIJ-VIFPVBQESA-N 0 0 197.307 1.454 10 0 ADAERN Cc1nn(C)cc1[C@@H]1N[C@@H](C)CS1 128687478 343836001 /nfs/dbraw/zinc/83/60/01/343836001.db2.gz HQQKMRAGBVRDOX-IMTBSYHQSA-N 0 0 197.307 1.452 10 0 ADAERN CCC[C@@H]1CC(=O)N(CC)C(=O)N1 128720703 343836044 /nfs/dbraw/zinc/83/60/44/343836044.db2.gz LCFZKKWXBVHMGO-SSDOTTSWSA-N 0 0 184.239 1.117 10 0 ADAERN Cc1nn(C)cc1[C@@H]1N[C@H](C)CS1 128687084 343836067 /nfs/dbraw/zinc/83/60/67/343836067.db2.gz HQQKMRAGBVRDOX-HZGVNTEJSA-N 0 0 197.307 1.452 10 0 ADAERN CCC[C@@H]1CC(=O)N(C2CC2)C(=O)N1 128721186 343836093 /nfs/dbraw/zinc/83/60/93/343836093.db2.gz PVMLBJCSJANQON-SSDOTTSWSA-N 0 0 196.250 1.259 10 0 ADAERN Cc1nn(C)cc1[C@H]1N[C@@H](C)CS1 128687693 343836172 /nfs/dbraw/zinc/83/61/72/343836172.db2.gz HQQKMRAGBVRDOX-RCOVLWMOSA-N 0 0 197.307 1.452 10 0 ADAERN CC[C@@H]1CCC[C@@](O)(CO)C1 132829273 343905309 /nfs/dbraw/zinc/90/53/09/343905309.db2.gz GBISMVMAVIXITG-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1nn(C)cc1[C@@H]1NCCS1 128684058 343836395 /nfs/dbraw/zinc/83/63/95/343836395.db2.gz FMXXRJVJODFSEL-MRVPVSSYSA-N 0 0 183.280 1.064 10 0 ADAERN CCC[C@H]1CC(=O)N(CC)C(=O)N1 128720938 343836399 /nfs/dbraw/zinc/83/63/99/343836399.db2.gz LCFZKKWXBVHMGO-ZETCQYMHSA-N 0 0 184.239 1.117 10 0 ADAERN Cc1nn(C)cc1[C@@H]1NC[C@@H](C)S1 128685782 343836400 /nfs/dbraw/zinc/83/64/00/343836400.db2.gz LKBDOHKWOKRODM-HZGVNTEJSA-N 0 0 197.307 1.452 10 0 ADAERN NC(=S)[C@H]1Cc2ccccc2O1 128741004 343836547 /nfs/dbraw/zinc/83/65/47/343836547.db2.gz ROSGKELESFMVHN-MRVPVSSYSA-N 0 0 179.244 1.276 10 0 ADAERN Cn1nncc1[C@H]1CCCCC1=O 128757148 343836558 /nfs/dbraw/zinc/83/65/58/343836558.db2.gz XUGSEYFJTHSELB-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN Cc1ccc(NCC2(O)CCC2)nc1 128760277 343836598 /nfs/dbraw/zinc/83/65/98/343836598.db2.gz VWGXUQLKJJOUQX-UHFFFAOYSA-N 0 0 192.262 1.717 10 0 ADAERN Cn1nncc1[C@@H]1CCCCC1=O 128756934 343836913 /nfs/dbraw/zinc/83/69/13/343836913.db2.gz XUGSEYFJTHSELB-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN COC1(c2noc(N)n2)CCCC1 128727113 343836703 /nfs/dbraw/zinc/83/67/03/343836703.db2.gz RLIJONPPMUYJRG-UHFFFAOYSA-N 0 0 183.211 1.068 10 0 ADAERN CCC[C@H]1CC(=O)N(C2CC2)C(=O)N1 128721406 343836712 /nfs/dbraw/zinc/83/67/12/343836712.db2.gz PVMLBJCSJANQON-ZETCQYMHSA-N 0 0 196.250 1.259 10 0 ADAERN NC(=S)[C@H]1COc2ccccc21 128741667 343836821 /nfs/dbraw/zinc/83/68/21/343836821.db2.gz ULFFGJKWHJJYFQ-ZETCQYMHSA-N 0 0 179.244 1.449 10 0 ADAERN NC(=S)[C@@H]1COc2ccccc21 128741440 343836842 /nfs/dbraw/zinc/83/68/42/343836842.db2.gz ULFFGJKWHJJYFQ-SSDOTTSWSA-N 0 0 179.244 1.449 10 0 ADAERN COC1(c2nsc(N)n2)CCCC1 128733563 343836888 /nfs/dbraw/zinc/83/68/88/343836888.db2.gz ZVVWKJGZAKXEDL-UHFFFAOYSA-N 0 0 199.279 1.536 10 0 ADAERN COC1(C(=O)C2CC2)CCCC1 128759142 343836906 /nfs/dbraw/zinc/83/69/06/343836906.db2.gz BUKHZOBDGKYDTG-UHFFFAOYSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@H]1CC(N2CNCC2=O)C[C@@H](C)C1 128730316 343836923 /nfs/dbraw/zinc/83/69/23/343836923.db2.gz IOVKYFRPOIRXJV-IUCAKERBSA-N 0 0 196.294 1.200 10 0 ADAERN NC(=S)[C@@H]1Cc2ccccc2O1 128741193 343837015 /nfs/dbraw/zinc/83/70/15/343837015.db2.gz ROSGKELESFMVHN-QMMMGPOBSA-N 0 0 179.244 1.276 10 0 ADAERN C[C@H]1CC(N2CNCC2=O)C[C@H](C)C1 128730524 343837020 /nfs/dbraw/zinc/83/70/20/343837020.db2.gz IOVKYFRPOIRXJV-RKDXNWHRSA-N 0 0 196.294 1.200 10 0 ADAERN Cc1oc2ccccc2c1CNN 128729728 343837051 /nfs/dbraw/zinc/83/70/51/343837051.db2.gz OUQBVGZJXKHQTM-UHFFFAOYSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@H]1CC[C@@H](NC(N)=S)C1 128799739 343837210 /nfs/dbraw/zinc/83/72/10/343837210.db2.gz USDBLAGEPHJUHZ-NTSWFWBYSA-N 0 0 158.270 1.008 10 0 ADAERN COc1cccc2c1ccn2CCO 128769576 343837232 /nfs/dbraw/zinc/83/72/32/343837232.db2.gz LAVBTCJRHAYBCM-UHFFFAOYSA-N 0 0 191.230 1.642 10 0 ADAERN CC[C@H](O)C1(OC)CCCC1 128782637 343837280 /nfs/dbraw/zinc/83/72/80/343837280.db2.gz FWGXPJVQGJSEMZ-QMMMGPOBSA-N 0 0 158.241 1.717 10 0 ADAERN CN[C@@H](c1cn(C)nc1C)C(F)F 128792661 343837324 /nfs/dbraw/zinc/83/73/24/343837324.db2.gz UAXOOTSZIOQLIQ-ZETCQYMHSA-N 0 0 189.209 1.254 10 0 ADAERN C[C@H]1CC[C@H](NC(N)=S)C1 128799282 343837401 /nfs/dbraw/zinc/83/74/01/343837401.db2.gz USDBLAGEPHJUHZ-WDSKDSINSA-N 0 0 158.270 1.008 10 0 ADAERN C[C@@H]1CC[C@@H](NC(N)=S)C1 128799497 343837407 /nfs/dbraw/zinc/83/74/07/343837407.db2.gz USDBLAGEPHJUHZ-PHDIDXHHSA-N 0 0 158.270 1.008 10 0 ADAERN C[C@@H]1CC[C@H](NC(N)=S)C1 128799084 343837459 /nfs/dbraw/zinc/83/74/59/343837459.db2.gz USDBLAGEPHJUHZ-RITPCOANSA-N 0 0 158.270 1.008 10 0 ADAERN CC[C@@H](O)C1(OC)CCCC1 128782867 343837564 /nfs/dbraw/zinc/83/75/64/343837564.db2.gz FWGXPJVQGJSEMZ-MRVPVSSYSA-N 0 0 158.241 1.717 10 0 ADAERN CN[C@H](c1cn(C)nc1C)C(F)F 128792866 343837583 /nfs/dbraw/zinc/83/75/83/343837583.db2.gz UAXOOTSZIOQLIQ-SSDOTTSWSA-N 0 0 189.209 1.254 10 0 ADAERN COCC(=O)[C@H]1COc2ccccc21 128797137 343837599 /nfs/dbraw/zinc/83/75/99/343837599.db2.gz IGSOXTAFTNSYFM-VIFPVBQESA-N 0 0 192.214 1.378 10 0 ADAERN COCC(=O)[C@@H]1COc2ccccc21 128796887 343837642 /nfs/dbraw/zinc/83/76/42/343837642.db2.gz IGSOXTAFTNSYFM-SECBINFHSA-N 0 0 192.214 1.378 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CC[C@H](C)C1 128810161 343837823 /nfs/dbraw/zinc/83/78/23/343837823.db2.gz GBZZPFKRBKDMMG-DTWKUNHWSA-N 0 0 184.283 1.883 10 0 ADAERN CC1(C)CC[C@@H](NC(N)=S)C1 128807535 343837867 /nfs/dbraw/zinc/83/78/67/343837867.db2.gz AZNFKAGCUMQQSJ-ZCFIWIBFSA-N 0 0 172.297 1.398 10 0 ADAERN CC1(C)CC[C@H](NC(N)=S)C1 128807300 343837890 /nfs/dbraw/zinc/83/78/90/343837890.db2.gz AZNFKAGCUMQQSJ-LURJTMIESA-N 0 0 172.297 1.398 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CC[C@@H](C)C1 128809944 343838023 /nfs/dbraw/zinc/83/80/23/343838023.db2.gz GBZZPFKRBKDMMG-RKDXNWHRSA-N 0 0 184.283 1.883 10 0 ADAERN CC(C)NC(=O)N[C@H]1CC[C@@H](C)C1 128809563 343838073 /nfs/dbraw/zinc/83/80/73/343838073.db2.gz GBZZPFKRBKDMMG-BDAKNGLRSA-N 0 0 184.283 1.883 10 0 ADAERN O=C(c1ncccc1F)C1CC1 128828879 343838202 /nfs/dbraw/zinc/83/82/02/343838202.db2.gz AVFWACNFZRRMAE-UHFFFAOYSA-N 0 0 165.167 1.813 10 0 ADAERN COC1([C@H](C)O)CCCC1 128805392 343838207 /nfs/dbraw/zinc/83/82/07/343838207.db2.gz NIENRKYQXXNOLM-ZETCQYMHSA-N 0 0 144.214 1.326 10 0 ADAERN COC1([C@@H](C)O)CCCC1 128805643 343838245 /nfs/dbraw/zinc/83/82/45/343838245.db2.gz NIENRKYQXXNOLM-SSDOTTSWSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1coc(NC(=O)N(C)C)n1 128843678 343838762 /nfs/dbraw/zinc/83/87/62/343838762.db2.gz BVGQGUHRQQHFEG-UHFFFAOYSA-N 0 0 169.184 1.077 10 0 ADAERN Cn1nncc1[C@H]1CCCC(=O)C1 128829960 343838766 /nfs/dbraw/zinc/83/87/66/343838766.db2.gz AJGFGXVLTDYMPV-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN CCOC(=O)NC1CC(C)C1 128833100 343838870 /nfs/dbraw/zinc/83/88/70/343838870.db2.gz VCAAZCFRYTVNDU-UHFFFAOYSA-N 0 0 157.213 1.531 10 0 ADAERN Cc1coc(NC(=O)NC(C)C)n1 128842771 343838896 /nfs/dbraw/zinc/83/88/96/343838896.db2.gz FRWYQLZPQVBUMU-UHFFFAOYSA-N 0 0 183.211 1.513 10 0 ADAERN C[C@@H](O)[C@H]1COc2ccccc21 128863961 343839252 /nfs/dbraw/zinc/83/92/52/343839252.db2.gz LWTVPVWUMHXGKI-VXNVDRBHSA-N 0 0 164.204 1.543 10 0 ADAERN C[C@@H](O)[C@@H]1COc2ccccc21 128863505 343839328 /nfs/dbraw/zinc/83/93/28/343839328.db2.gz LWTVPVWUMHXGKI-APPZFPTMSA-N 0 0 164.204 1.543 10 0 ADAERN C[C@H](O)[C@@H]1COc2ccccc21 128863314 343839390 /nfs/dbraw/zinc/83/93/90/343839390.db2.gz LWTVPVWUMHXGKI-CBAPKCEASA-N 0 0 164.204 1.543 10 0 ADAERN C[C@H](O)[C@H]1COc2ccccc21 128863716 343839430 /nfs/dbraw/zinc/83/94/30/343839430.db2.gz LWTVPVWUMHXGKI-IONNQARKSA-N 0 0 164.204 1.543 10 0 ADAERN CC1CC(Nc2cccnn2)C1 128903380 343840063 /nfs/dbraw/zinc/84/00/63/343840063.db2.gz MDDOBQMOXUEOEM-UHFFFAOYSA-N 0 0 163.224 1.687 10 0 ADAERN CC1CC(NS(=O)(=O)C(C)C)C1 128910077 343840163 /nfs/dbraw/zinc/84/01/63/343840163.db2.gz HDAKFZXDBXAOGM-UHFFFAOYSA-N 0 0 191.296 1.113 10 0 ADAERN CCNC(=O)Nc1onc(C)c1C 128923520 343840194 /nfs/dbraw/zinc/84/01/94/343840194.db2.gz WXUUGLPDPIJTJB-UHFFFAOYSA-N 0 0 183.211 1.433 10 0 ADAERN C[C@H]1CC[C@H](NC#N)C1 128942294 343840604 /nfs/dbraw/zinc/84/06/04/343840604.db2.gz MNTGWSDSCWNOSZ-BQBZGAKWSA-N 0 0 124.187 1.246 10 0 ADAERN CCNC(=O)Nc1nc(C)co1 128924898 343840608 /nfs/dbraw/zinc/84/06/08/343840608.db2.gz AFLVQKDIRNZFSM-UHFFFAOYSA-N 0 0 169.184 1.124 10 0 ADAERN CNC(=O)Nc1cnn(C(C)C)c1 128928356 343840643 /nfs/dbraw/zinc/84/06/43/343840643.db2.gz AQOBGMGOIMFKCP-UHFFFAOYSA-N 0 0 182.227 1.215 10 0 ADAERN c1ccc2c(c1)OC[C@H]2c1ncc[nH]1 128927825 343840692 /nfs/dbraw/zinc/84/06/92/343840692.db2.gz MJDHXAVHMBOWHE-SECBINFHSA-N 0 0 186.214 1.934 10 0 ADAERN COC(=N)C1(OC)CCCC1 128927007 343840745 /nfs/dbraw/zinc/84/07/45/343840745.db2.gz CFWVPKUNQJGLSH-UHFFFAOYSA-N 0 0 157.213 1.569 10 0 ADAERN CNC(=O)Nc1onc(C)c1C 128924669 343840752 /nfs/dbraw/zinc/84/07/52/343840752.db2.gz YFCYQTDKUMLXIW-UHFFFAOYSA-N 0 0 169.184 1.043 10 0 ADAERN CCCNC(=O)Nc1onc(C)c1C 128924436 343840800 /nfs/dbraw/zinc/84/08/00/343840800.db2.gz VKQGKSOENAVPPY-UHFFFAOYSA-N 0 0 197.238 1.823 10 0 ADAERN c1ccc2c(c1)OC[C@@H]2c1ncc[nH]1 128928055 343840804 /nfs/dbraw/zinc/84/08/04/343840804.db2.gz MJDHXAVHMBOWHE-VIFPVBQESA-N 0 0 186.214 1.934 10 0 ADAERN COC1(c2nc(CO)c[nH]2)CCCC1 128950418 343840824 /nfs/dbraw/zinc/84/08/24/343840824.db2.gz TVDAYGCXISXLFC-UHFFFAOYSA-N 0 0 196.250 1.318 10 0 ADAERN CCCNC(=O)Nc1nc(C)co1 128926765 343840871 /nfs/dbraw/zinc/84/08/71/343840871.db2.gz TTZLQGATMDLVKC-UHFFFAOYSA-N 0 0 183.211 1.515 10 0 ADAERN C[C@H]1CC[C@@H](NC#N)C1 128942712 343840926 /nfs/dbraw/zinc/84/09/26/343840926.db2.gz MNTGWSDSCWNOSZ-NKWVEPMBSA-N 0 0 124.187 1.246 10 0 ADAERN C[C@@H]1CC[C@H](NC#N)C1 128942098 343840957 /nfs/dbraw/zinc/84/09/57/343840957.db2.gz MNTGWSDSCWNOSZ-RQJHMYQMSA-N 0 0 124.187 1.246 10 0 ADAERN COC1(c2noc(C=O)n2)CCCC1 128954809 343841178 /nfs/dbraw/zinc/84/11/78/343841178.db2.gz VQCIPZDZAVCJIO-UHFFFAOYSA-N 0 0 196.206 1.298 10 0 ADAERN C[C@@H](O)[C@H]1Cc2ccccc2O1 128960194 343841198 /nfs/dbraw/zinc/84/11/98/343841198.db2.gz QHMJSLRJAHUWEE-GMSGAONNSA-N 0 0 164.204 1.371 10 0 ADAERN CCNc1ccc(N)c(C(C)=O)c1 128966700 343841204 /nfs/dbraw/zinc/84/12/04/343841204.db2.gz VKGQAWAMHKPWJL-UHFFFAOYSA-N 0 0 178.235 1.903 10 0 ADAERN COC1(c2nc(C=O)c[nH]2)CCCC1 128957425 343841237 /nfs/dbraw/zinc/84/12/37/343841237.db2.gz QYWHMRFZJPRWPD-UHFFFAOYSA-N 0 0 194.234 1.638 10 0 ADAERN C[C@H](O)[C@@H]1Cc2ccccc2O1 128959730 343841299 /nfs/dbraw/zinc/84/12/99/343841299.db2.gz QHMJSLRJAHUWEE-XVKPBYJWSA-N 0 0 164.204 1.371 10 0 ADAERN C[C@H](O)[C@H]1Cc2ccccc2O1 128959956 343841348 /nfs/dbraw/zinc/84/13/48/343841348.db2.gz QHMJSLRJAHUWEE-OIBJUYFYSA-N 0 0 164.204 1.371 10 0 ADAERN Cn1cc(CCO)c(C(C)(C)C)n1 128962205 343841413 /nfs/dbraw/zinc/84/14/13/343841413.db2.gz ABRUBQPZOHEDHA-UHFFFAOYSA-N 0 0 182.267 1.252 10 0 ADAERN CNc1ccc(N)c(C(C)=O)c1 128966228 343841536 /nfs/dbraw/zinc/84/15/36/343841536.db2.gz WLRBZWHQKUDQLA-UHFFFAOYSA-N 0 0 164.208 1.513 10 0 ADAERN CCC(=O)NC1(CC)CCC1 128974780 343841760 /nfs/dbraw/zinc/84/17/60/343841760.db2.gz PKFFCHYLNOSFJM-UHFFFAOYSA-N 0 0 155.241 1.845 10 0 ADAERN CC1(C)CC[C@H](NC#N)C1 128992442 343841771 /nfs/dbraw/zinc/84/17/71/343841771.db2.gz AHPNLGPFKMMZDS-ZETCQYMHSA-N 0 0 138.214 1.636 10 0 ADAERN CCC1(NC(=O)OC)CCC1 128985259 343841912 /nfs/dbraw/zinc/84/19/12/343841912.db2.gz KCGAJKIWOHLVOU-UHFFFAOYSA-N 0 0 157.213 1.675 10 0 ADAERN CCC1(NC(=O)NC)CCC1 128987850 343841914 /nfs/dbraw/zinc/84/19/14/343841914.db2.gz YHFNIBMXLHYJOD-UHFFFAOYSA-N 0 0 156.229 1.248 10 0 ADAERN CON(C)c1ccc(N)c(C(C)=O)c1 128976915 343841966 /nfs/dbraw/zinc/84/19/66/343841966.db2.gz YVBQLMZZRNWKBF-UHFFFAOYSA-N 0 0 194.234 1.469 10 0 ADAERN CCC1(NC(=O)N(C)C)CCC1 128968933 343841975 /nfs/dbraw/zinc/84/19/75/343841975.db2.gz KJYALQKMFKYLIJ-UHFFFAOYSA-N 0 0 170.256 1.590 10 0 ADAERN CCC1(NC(=O)C2CC2)CCC1 128979637 343842007 /nfs/dbraw/zinc/84/20/07/343842007.db2.gz WMQHJKGDUPEFRX-UHFFFAOYSA-N 0 0 167.252 1.845 10 0 ADAERN CCC1(NC(=O)c2cn[nH]c2)CCC1 128984092 343842025 /nfs/dbraw/zinc/84/20/25/343842025.db2.gz CEZBZVRPYZOYSP-UHFFFAOYSA-N 0 0 193.250 1.472 10 0 ADAERN CC1(C)CC[C@@H](NC#N)C1 128992657 343842063 /nfs/dbraw/zinc/84/20/63/343842063.db2.gz AHPNLGPFKMMZDS-SSDOTTSWSA-N 0 0 138.214 1.636 10 0 ADAERN CCC1(NC(C)=O)CCC1 128978506 343842072 /nfs/dbraw/zinc/84/20/72/343842072.db2.gz GLNXJEYULOQJDG-UHFFFAOYSA-N 0 0 141.214 1.455 10 0 ADAERN CCSCCNc1ccn(C)n1 129028324 343842616 /nfs/dbraw/zinc/84/26/16/343842616.db2.gz CRPKXFPPQJFGSZ-UHFFFAOYSA-N 0 0 185.296 1.585 10 0 ADAERN CSCCNc1ccn(C)n1 129028101 343842617 /nfs/dbraw/zinc/84/26/17/343842617.db2.gz DHDTVXOZBZSGBB-UHFFFAOYSA-N 0 0 171.269 1.195 10 0 ADAERN OC1(c2cccc3nccnc23)CC1 129021272 343842853 /nfs/dbraw/zinc/84/28/53/343842853.db2.gz WEUHOXYFXQNBDL-UHFFFAOYSA-N 0 0 186.214 1.611 10 0 ADAERN CSCCNc1cnn(C)c1 129027812 343842857 /nfs/dbraw/zinc/84/28/57/343842857.db2.gz FNQRGHCZNURVEN-UHFFFAOYSA-N 0 0 171.269 1.195 10 0 ADAERN CCC1(NS(=O)(=O)CC)CCC1 129045498 343843154 /nfs/dbraw/zinc/84/31/54/343843154.db2.gz NMTIXCSVOKYUEZ-UHFFFAOYSA-N 0 0 191.296 1.258 10 0 ADAERN CO[C@@H](C)Cc1noc(Cl)n1 129040850 343843196 /nfs/dbraw/zinc/84/31/96/343843196.db2.gz UDAOQSCXANKMTL-BYPYZUCNSA-N 0 0 176.603 1.300 10 0 ADAERN COC(=N)C[C@H]1CCCCO1 129041905 343843212 /nfs/dbraw/zinc/84/32/12/343843212.db2.gz FZLDQZPDLZYHFN-SSDOTTSWSA-N 0 0 157.213 1.569 10 0 ADAERN CO[C@H](C)Cc1noc(Cl)n1 129041074 343843304 /nfs/dbraw/zinc/84/33/04/343843304.db2.gz UDAOQSCXANKMTL-SCSAIBSYSA-N 0 0 176.603 1.300 10 0 ADAERN CCOC(=N)C[C@@H](C)OC 129042145 343843330 /nfs/dbraw/zinc/84/33/30/343843330.db2.gz SJPHDJWZJPUUPP-ZCFIWIBFSA-N 0 0 145.202 1.425 10 0 ADAERN CC=CC(=O)Nc1cc(CC)[nH]n1 129078856 343843619 /nfs/dbraw/zinc/84/36/19/343843619.db2.gz JSRBSJVYQMCJGK-HWKANZROSA-N 0 0 179.223 1.487 10 0 ADAERN C=CC(=O)Nc1n[nH]c(C)c1C 129088689 343843648 /nfs/dbraw/zinc/84/36/48/343843648.db2.gz JVVRXAZDFAPGFU-UHFFFAOYSA-N 0 0 165.196 1.151 10 0 ADAERN C=CC(=O)Nc1n[nH]cc1CC 129095523 343843658 /nfs/dbraw/zinc/84/36/58/343843658.db2.gz LJQHAVAXKUYGIV-UHFFFAOYSA-N 0 0 165.196 1.097 10 0 ADAERN Cc1cccc(CNN)c1Cl 129075023 343843676 /nfs/dbraw/zinc/84/36/76/343843676.db2.gz NSYOAYYDUOOUHZ-UHFFFAOYSA-N 0 0 170.643 1.612 10 0 ADAERN Cc1cc(O)ccc1-c1cnnn1C 129103408 343843733 /nfs/dbraw/zinc/84/37/33/343843733.db2.gz QUMLNFPDDPWGMF-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN Nc1ccnc(C[C@@H]2CCCCO2)n1 129104309 343843779 /nfs/dbraw/zinc/84/37/79/343843779.db2.gz VBMNPDBWFIJDRZ-QMMMGPOBSA-N 0 0 193.250 1.170 10 0 ADAERN C=CC(=O)Nc1cc(C(C)(C)C)[nH]n1 129086665 343843788 /nfs/dbraw/zinc/84/37/88/343843788.db2.gz NZIQFSJGDKGQAH-UHFFFAOYSA-N 0 0 193.250 1.832 10 0 ADAERN Cn1nncc1-c1ccc(O)cc1 129102458 343843878 /nfs/dbraw/zinc/84/38/78/343843878.db2.gz WHUSZHSAYPMEKV-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN CCSCCNCC(F)F 129063161 343843908 /nfs/dbraw/zinc/84/39/08/343843908.db2.gz GXUZJPMWIURIMX-UHFFFAOYSA-N 0 0 169.240 1.594 10 0 ADAERN C=CC(=O)Nc1cc(CC)[nH]n1 129078219 343843920 /nfs/dbraw/zinc/84/39/20/343843920.db2.gz NTOHEPNDQHYRBU-UHFFFAOYSA-N 0 0 165.196 1.097 10 0 ADAERN C=CC(=O)Nc1cc(CCC)[nH]n1 129081431 343844060 /nfs/dbraw/zinc/84/40/60/343844060.db2.gz JXTRKWUNYAUDDG-UHFFFAOYSA-N 0 0 179.223 1.487 10 0 ADAERN C=CC(=O)Nc1cc(C(C)C)[nH]n1 129084269 343844072 /nfs/dbraw/zinc/84/40/72/343844072.db2.gz UAOCUAHPYNWJOL-UHFFFAOYSA-N 0 0 179.223 1.658 10 0 ADAERN C/C(=C\c1cn(C)nc1C)CO 129107690 343844270 /nfs/dbraw/zinc/84/42/70/343844270.db2.gz NAYNITOXKMOEMG-QPJJXVBHSA-N 0 0 166.224 1.124 10 0 ADAERN CO[C@H](C)Cc1nc(C)c(F)c(N)n1 129115378 343844306 /nfs/dbraw/zinc/84/43/06/343844306.db2.gz DUDOYHVVEASPSC-RXMQYKEDSA-N 0 0 199.229 1.084 10 0 ADAERN CO[C@@H](C)Cc1nc(C)c(F)c(N)n1 129115619 343844320 /nfs/dbraw/zinc/84/43/20/343844320.db2.gz DUDOYHVVEASPSC-YFKPBYRVSA-N 0 0 199.229 1.084 10 0 ADAERN CO[C@@H](C)Cc1nc(C)c(C)c(N)n1 129104948 343844392 /nfs/dbraw/zinc/84/43/92/343844392.db2.gz HLIMLJVWEJHNLT-LURJTMIESA-N 0 0 195.266 1.253 10 0 ADAERN Cc1cncc(NC[C@@H]2CCOC2)c1 129111438 343844412 /nfs/dbraw/zinc/84/44/12/343844412.db2.gz UJYKFDYRAZSWPN-JTQLQIEISA-N 0 0 192.262 1.838 10 0 ADAERN Cc1cncc(NC[C@H]2CCOC2)c1 129111634 343844514 /nfs/dbraw/zinc/84/45/14/343844514.db2.gz UJYKFDYRAZSWPN-SNVBAGLBSA-N 0 0 192.262 1.838 10 0 ADAERN CO[C@H](C)Cc1nc(C)c(C)c(N)n1 129104743 343844529 /nfs/dbraw/zinc/84/45/29/343844529.db2.gz HLIMLJVWEJHNLT-ZCFIWIBFSA-N 0 0 195.266 1.253 10 0 ADAERN CSCCCn1nc(C)c(N)c1C 129107463 343844549 /nfs/dbraw/zinc/84/45/49/343844549.db2.gz BARMERGOTMYDOL-UHFFFAOYSA-N 0 0 199.323 1.835 10 0 ADAERN Cn1nncc1-c1ccccc1O 129105072 343844680 /nfs/dbraw/zinc/84/46/80/343844680.db2.gz PJMJDLPLDUBJPE-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN CCSCCn1nc(C)c(N)c1C 129107235 343844688 /nfs/dbraw/zinc/84/46/88/343844688.db2.gz IJMXOHKJIZAMPT-UHFFFAOYSA-N 0 0 199.323 1.835 10 0 ADAERN Nc1ccnc(C[C@H]2CCCCO2)n1 129104529 343844691 /nfs/dbraw/zinc/84/46/91/343844691.db2.gz VBMNPDBWFIJDRZ-MRVPVSSYSA-N 0 0 193.250 1.170 10 0 ADAERN Cn1nncc1-c1cc(F)ccc1O 129105761 343844707 /nfs/dbraw/zinc/84/47/07/343844707.db2.gz ZKKQMJQILMKGHQ-UHFFFAOYSA-N 0 0 193.181 1.327 10 0 ADAERN Cn1nncc1-c1ccc(O)cc1F 129105970 343844718 /nfs/dbraw/zinc/84/47/18/343844718.db2.gz BYEJWQQNRMYRBX-UHFFFAOYSA-N 0 0 193.181 1.327 10 0 ADAERN CCOC(=O)N[C@H]1CCCSC1 129139421 343844976 /nfs/dbraw/zinc/84/49/76/343844976.db2.gz AAVPWORAMMXGFJ-ZETCQYMHSA-N 0 0 189.280 1.628 10 0 ADAERN CNc1nc(C[C@@H]2CCCCO2)no1 129154460 343845218 /nfs/dbraw/zinc/84/52/18/343845218.db2.gz JHCCGVCDSZNVND-ZETCQYMHSA-N 0 0 197.238 1.223 10 0 ADAERN CCOC(=O)N[C@@H]1CCCSC1 129139158 343845256 /nfs/dbraw/zinc/84/52/56/343845256.db2.gz AAVPWORAMMXGFJ-SSDOTTSWSA-N 0 0 189.280 1.628 10 0 ADAERN CNc1nc(C[C@H]2CCCCO2)no1 129154686 343845283 /nfs/dbraw/zinc/84/52/83/343845283.db2.gz JHCCGVCDSZNVND-SSDOTTSWSA-N 0 0 197.238 1.223 10 0 ADAERN c1cnnc(N[C@@H]2CCCSC2)c1 129201160 343845639 /nfs/dbraw/zinc/84/56/39/343845639.db2.gz SFZIDDQDFXRKSH-MRVPVSSYSA-N 0 0 195.291 1.784 10 0 ADAERN c1cnnc(N[C@H]2CCCSC2)c1 129201385 343845697 /nfs/dbraw/zinc/84/56/97/343845697.db2.gz SFZIDDQDFXRKSH-QMMMGPOBSA-N 0 0 195.291 1.784 10 0 ADAERN C[C@@H]1CC[C@@H](N2CCC(=O)C2)C1 129244831 343846918 /nfs/dbraw/zinc/84/69/18/343846918.db2.gz KAXUWJJUSFBZNW-RKDXNWHRSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@H]1CC[C@@H](N2CCC(=O)C2)C1 129245017 343846957 /nfs/dbraw/zinc/84/69/57/343846957.db2.gz KAXUWJJUSFBZNW-DTWKUNHWSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@H]1CC[C@H](N2CCC(=O)C2)C1 129244622 343846967 /nfs/dbraw/zinc/84/69/67/343846967.db2.gz KAXUWJJUSFBZNW-IUCAKERBSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@H]1CC[C@H](N2CCC(=O)CC2=O)C1 129242027 343846991 /nfs/dbraw/zinc/84/69/91/343846991.db2.gz REKVOENDVKDOFT-IUCAKERBSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@H]1CC[C@@H](N2CCC(=O)CC2=O)C1 129242450 343847033 /nfs/dbraw/zinc/84/70/33/343847033.db2.gz REKVOENDVKDOFT-DTWKUNHWSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H]1CC[C@H](N2CCC(=O)C2)C1 129244408 343847091 /nfs/dbraw/zinc/84/70/91/343847091.db2.gz KAXUWJJUSFBZNW-BDAKNGLRSA-N 0 0 167.252 1.450 10 0 ADAERN CC1(C)CC[C@@H](N2CCC(=O)C2)C1 129247154 343847108 /nfs/dbraw/zinc/84/71/08/343847108.db2.gz OSUGLEHLLDJSEC-SECBINFHSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@@H]1CC[C@@H](N2CCC(=O)CC2=O)C1 129242242 343847165 /nfs/dbraw/zinc/84/71/65/343847165.db2.gz REKVOENDVKDOFT-RKDXNWHRSA-N 0 0 195.262 1.367 10 0 ADAERN CC1(C)CC[C@H](N2CCC(=O)C2)C1 129246955 343847176 /nfs/dbraw/zinc/84/71/76/343847176.db2.gz OSUGLEHLLDJSEC-VIFPVBQESA-N 0 0 181.279 1.840 10 0 ADAERN CO[C@@H](C)Cc1nc(N)cs1 129289051 343847497 /nfs/dbraw/zinc/84/74/97/343847497.db2.gz PJMQZFRSFXGIQZ-YFKPBYRVSA-N 0 0 172.253 1.303 10 0 ADAERN O=Cc1c[nH]c(C[C@@H]2CCCCO2)n1 129271550 343847427 /nfs/dbraw/zinc/84/74/27/343847427.db2.gz PHJNJMLHTQXLKO-VIFPVBQESA-N 0 0 194.234 1.334 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Nc1ncccc1N 129297269 343847464 /nfs/dbraw/zinc/84/74/64/343847464.db2.gz JJVSOIFOXGIBBR-RNFRBKRXSA-N 0 0 191.234 1.258 10 0 ADAERN CC[C@@H](C)C(=O)Nc1ncccc1N 129300248 343847549 /nfs/dbraw/zinc/84/75/49/343847549.db2.gz QSAKZOZJWJRQHT-SSDOTTSWSA-N 0 0 193.250 1.648 10 0 ADAERN Cc1cc(F)ccc1OCCO 129278507 343847582 /nfs/dbraw/zinc/84/75/82/343847582.db2.gz IAIOPBXUOCCKAJ-UHFFFAOYSA-N 0 0 170.183 1.505 10 0 ADAERN CO[C@H](C)Cc1nc(Cl)n[nH]1 129274560 343847636 /nfs/dbraw/zinc/84/76/36/343847636.db2.gz PAFBLSRWMCVAPD-SCSAIBSYSA-N 0 0 175.619 1.036 10 0 ADAERN CCC(CC)CSC[C@H](O)CO 129269603 343847653 /nfs/dbraw/zinc/84/76/53/343847653.db2.gz OHLNEKAPEZNDQR-SECBINFHSA-N 0 0 192.324 1.509 10 0 ADAERN CC(=O)CCC(=O)Nc1n[nH]cc1C 129301185 343847682 /nfs/dbraw/zinc/84/76/82/343847682.db2.gz UJWQSRZDILLXKB-UHFFFAOYSA-N 0 0 195.222 1.026 10 0 ADAERN Nc1ccc2c(=O)[nH]c(Cl)nc2c1 129290245 343847685 /nfs/dbraw/zinc/84/76/85/343847685.db2.gz XOJWQKFOLHEBHV-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN CO[C@H](C)Cc1nsc(Cl)n1 129278211 343847696 /nfs/dbraw/zinc/84/76/96/343847696.db2.gz WHWQXAYJCUVGKI-SCSAIBSYSA-N 0 0 192.671 1.769 10 0 ADAERN Nc1csc(C[C@@H]2CCCCO2)n1 129288616 343847712 /nfs/dbraw/zinc/84/77/12/343847712.db2.gz KOCWPODMNBOWBB-ZETCQYMHSA-N 0 0 198.291 1.837 10 0 ADAERN CO[C@@H](C)Cc1nsc(Cl)n1 129277991 343847718 /nfs/dbraw/zinc/84/77/18/343847718.db2.gz WHWQXAYJCUVGKI-BYPYZUCNSA-N 0 0 192.671 1.769 10 0 ADAERN CO[C@H](C)Cc1nc(N)cs1 129289268 343847733 /nfs/dbraw/zinc/84/77/33/343847733.db2.gz PJMQZFRSFXGIQZ-RXMQYKEDSA-N 0 0 172.253 1.303 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Nc1ncccc1N 129297483 343847744 /nfs/dbraw/zinc/84/77/44/343847744.db2.gz JJVSOIFOXGIBBR-NKWVEPMBSA-N 0 0 191.234 1.258 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Nc1ncccc1N 129296859 343847759 /nfs/dbraw/zinc/84/77/59/343847759.db2.gz JJVSOIFOXGIBBR-RQJHMYQMSA-N 0 0 191.234 1.258 10 0 ADAERN Nc1csc(C[C@H]2CCCCO2)n1 129288813 343847761 /nfs/dbraw/zinc/84/77/61/343847761.db2.gz KOCWPODMNBOWBB-SSDOTTSWSA-N 0 0 198.291 1.837 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Nc1ncccc1N 129297085 343847774 /nfs/dbraw/zinc/84/77/74/343847774.db2.gz JJVSOIFOXGIBBR-BQBZGAKWSA-N 0 0 191.234 1.258 10 0 ADAERN CCC(CC)CSC[C@@H](O)CO 129269783 343847780 /nfs/dbraw/zinc/84/77/80/343847780.db2.gz OHLNEKAPEZNDQR-VIFPVBQESA-N 0 0 192.324 1.509 10 0 ADAERN CC[C@H](C)C(=O)Nc1ncccc1N 129300414 343847785 /nfs/dbraw/zinc/84/77/85/343847785.db2.gz QSAKZOZJWJRQHT-ZETCQYMHSA-N 0 0 193.250 1.648 10 0 ADAERN O=Cc1c[nH]c(C[C@H]2CCCCO2)n1 129271828 343847789 /nfs/dbraw/zinc/84/77/89/343847789.db2.gz PHJNJMLHTQXLKO-SECBINFHSA-N 0 0 194.234 1.334 10 0 ADAERN CO[C@@H](C)Cc1nc(Cl)n[nH]1 129274335 343847803 /nfs/dbraw/zinc/84/78/03/343847803.db2.gz PAFBLSRWMCVAPD-BYPYZUCNSA-N 0 0 175.619 1.036 10 0 ADAERN CCc1cc(NC(=O)OC)n[nH]1 129328664 343847945 /nfs/dbraw/zinc/84/79/45/343847945.db2.gz QKKXKQOWPGNDKW-UHFFFAOYSA-N 0 0 169.184 1.150 10 0 ADAERN CCCNC(=O)Nc1ncccc1N 129330210 343847997 /nfs/dbraw/zinc/84/79/97/343847997.db2.gz IAVHNXJJDXEEFE-UHFFFAOYSA-N 0 0 194.238 1.195 10 0 ADAERN Nc1cccnc1NC(=O)C1CC1 129312755 343848042 /nfs/dbraw/zinc/84/80/42/343848042.db2.gz KQSFJJBMYZNPLS-UHFFFAOYSA-N 0 0 177.207 1.012 10 0 ADAERN COC(=O)Nc1cc(C(C)C)[nH]n1 129335528 343848065 /nfs/dbraw/zinc/84/80/65/343848065.db2.gz BTPJXILCOONBSB-UHFFFAOYSA-N 0 0 183.211 1.711 10 0 ADAERN CNC(=O)Nc1cc(C(C)(C)C)[nH]n1 129336249 343848084 /nfs/dbraw/zinc/84/80/84/343848084.db2.gz CQFPIMFZZXCEAZ-UHFFFAOYSA-N 0 0 196.254 1.459 10 0 ADAERN CCc1cc(NC(=O)NC(C)C)n[nH]1 129327267 343848093 /nfs/dbraw/zinc/84/80/93/343848093.db2.gz FTACUWJQKVCGTD-UHFFFAOYSA-N 0 0 196.254 1.502 10 0 ADAERN Nc1ccc2nc(Cl)[nH]c(=O)c2c1 129308283 343848114 /nfs/dbraw/zinc/84/81/14/343848114.db2.gz OQXBNQDEIXUIGQ-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN CCCc1cc(NC(=O)NC)n[nH]1 129333232 343848128 /nfs/dbraw/zinc/84/81/28/343848128.db2.gz HJIFIFDCAXPRIB-UHFFFAOYSA-N 0 0 182.227 1.114 10 0 ADAERN CCNC(=O)Nc1cc(CC)[nH]n1 129329946 343848131 /nfs/dbraw/zinc/84/81/31/343848131.db2.gz WCMFOJHLRCGLEC-UHFFFAOYSA-N 0 0 182.227 1.114 10 0 ADAERN CCCc1cc(NC(=O)NCC)n[nH]1 129333931 343848137 /nfs/dbraw/zinc/84/81/37/343848137.db2.gz WDHHSNKLCICKAG-UHFFFAOYSA-N 0 0 196.254 1.504 10 0 ADAERN Nc1cccnc1NC(=O)CC1CC1 129305204 343848149 /nfs/dbraw/zinc/84/81/49/343848149.db2.gz NXUCRLFYPXYQJY-UHFFFAOYSA-N 0 0 191.234 1.402 10 0 ADAERN CCc1cc(NC(=O)N(C)C)n[nH]1 129329506 343848151 /nfs/dbraw/zinc/84/81/51/343848151.db2.gz PPTKZTCZIRASJK-UHFFFAOYSA-N 0 0 182.227 1.066 10 0 ADAERN CC(C)NC(=O)Nc1ncccc1N 129329272 343848153 /nfs/dbraw/zinc/84/81/53/343848153.db2.gz CTIVVLIHAUVWGL-UHFFFAOYSA-N 0 0 194.238 1.194 10 0 ADAERN Nc1cccnc1NC(=O)C1CCC1 129307114 343848167 /nfs/dbraw/zinc/84/81/67/343848167.db2.gz QMPGYKTYNOJTCY-UHFFFAOYSA-N 0 0 191.234 1.402 10 0 ADAERN CCCC(=O)Nc1ncccc1N 129304755 343848203 /nfs/dbraw/zinc/84/82/03/343848203.db2.gz PRJYEERJHGCIOR-UHFFFAOYSA-N 0 0 179.223 1.402 10 0 ADAERN CCOC(=O)Nc1cc(CC)[nH]n1 129328008 343848219 /nfs/dbraw/zinc/84/82/19/343848219.db2.gz VBRMPLOTQLKBRA-UHFFFAOYSA-N 0 0 183.211 1.541 10 0 ADAERN CCc1cc(NC(=O)N(C)CC)n[nH]1 129328229 343848224 /nfs/dbraw/zinc/84/82/24/343848224.db2.gz GLZSPZNHJLUPRE-UHFFFAOYSA-N 0 0 196.254 1.456 10 0 ADAERN CC(C)OC(=O)Nc1ncccc1N 129326866 343848228 /nfs/dbraw/zinc/84/82/28/343848228.db2.gz DULDDYKPFKDLGG-UHFFFAOYSA-N 0 0 195.222 1.621 10 0 ADAERN CC(C)(C)c1cc(NC(N)=O)n[nH]1 129336478 343848252 /nfs/dbraw/zinc/84/82/52/343848252.db2.gz XWWBDRHELUSAMX-UHFFFAOYSA-N 0 0 182.227 1.198 10 0 ADAERN CCc1cc(NC(=O)OC(C)C)n[nH]1 129328441 343848274 /nfs/dbraw/zinc/84/82/74/343848274.db2.gz HHGCMUPSSYYOKU-UHFFFAOYSA-N 0 0 197.238 1.929 10 0 ADAERN CC(C)c1cc(NC=O)n[nH]1 129314107 343848295 /nfs/dbraw/zinc/84/82/95/343848295.db2.gz NPHRCNUPORGRTD-UHFFFAOYSA-N 0 0 153.185 1.101 10 0 ADAERN Cc1cc(F)cc2c1OCC[C@H]2O 129341631 343848533 /nfs/dbraw/zinc/84/85/33/343848533.db2.gz GUVNMDYDYONGLU-SECBINFHSA-N 0 0 182.194 1.950 10 0 ADAERN CCCc1c(N)n[nH]c1[C@@H]1CCCO1 129353318 343848556 /nfs/dbraw/zinc/84/85/56/343848556.db2.gz LAAJTOMNIGTPTO-QMMMGPOBSA-N 0 0 195.266 1.796 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H]1CCCO1 129349715 343848559 /nfs/dbraw/zinc/84/85/59/343848559.db2.gz OTNIIFNZFDZNEX-LURJTMIESA-N 0 0 167.212 1.152 10 0 ADAERN CCCNC(=O)Nc1n[nH]c(C)c1C 129338018 343848579 /nfs/dbraw/zinc/84/85/79/343848579.db2.gz FUQKWJHPYOTJJX-UHFFFAOYSA-N 0 0 196.254 1.558 10 0 ADAERN CCCc1c(N)n[nH]c1[C@H]1CCCO1 129353556 343848583 /nfs/dbraw/zinc/84/85/83/343848583.db2.gz LAAJTOMNIGTPTO-MRVPVSSYSA-N 0 0 195.266 1.796 10 0 ADAERN CCc1c(N)n[nH]c1[C@H]1CCCO1 129351320 343848587 /nfs/dbraw/zinc/84/85/87/343848587.db2.gz NONHOXGZHFUSCO-SSDOTTSWSA-N 0 0 181.239 1.406 10 0 ADAERN Cc1[nH]nc(NC(=O)N(C)C)c1C 129338752 343848598 /nfs/dbraw/zinc/84/85/98/343848598.db2.gz SLOKNHYQDJHHLO-UHFFFAOYSA-N 0 0 182.227 1.120 10 0 ADAERN CC(C)[C@@H]1CC(=O)N(C2CC2)C(=O)N1 129344142 343848600 /nfs/dbraw/zinc/84/86/00/343848600.db2.gz GQTOXEQNYLAAMG-QMMMGPOBSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1cc(F)cc2c1O[C@@H](C)[C@@H]2O 129342462 343848605 /nfs/dbraw/zinc/84/86/05/343848605.db2.gz IBUNOOPRNMTBHP-RCOVLWMOSA-N 0 0 182.194 1.948 10 0 ADAERN CC(C)[C@H]1CC(=O)N(C2CC2)C(=O)N1 129344354 343848607 /nfs/dbraw/zinc/84/86/07/343848607.db2.gz GQTOXEQNYLAAMG-MRVPVSSYSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1cc(F)cc2c1O[C@H](C)[C@@H]2O 129342262 343848611 /nfs/dbraw/zinc/84/86/11/343848611.db2.gz IBUNOOPRNMTBHP-MUWHJKNJSA-N 0 0 182.194 1.948 10 0 ADAERN CCCNC(=O)Nc1n[nH]cc1C 129343063 343848619 /nfs/dbraw/zinc/84/86/19/343848619.db2.gz DWPKWVMEYXSFCX-UHFFFAOYSA-N 0 0 182.227 1.250 10 0 ADAERN CCc1c([C@@H]2CCCO2)noc1N 129354694 343848637 /nfs/dbraw/zinc/84/86/37/343848637.db2.gz ZGIUJQIYTMBUKG-ZETCQYMHSA-N 0 0 182.223 1.671 10 0 ADAERN Nc1cccc2nc(Cl)[nH]c(=O)c12 129354374 343848643 /nfs/dbraw/zinc/84/86/43/343848643.db2.gz HRCOTVYHYCRXHQ-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 in-vitro ADAERN C[C@@H]1NC2(CC2)C(=O)N1CCC1CC1 129357270 343848668 /nfs/dbraw/zinc/84/86/68/343848668.db2.gz IZNAKVOHTXRLPV-MRVPVSSYSA-N 0 0 194.278 1.097 10 0 ADAERN C[C@H]1NC2(CC2)C(=O)N1CCC1CC1 129357455 343848689 /nfs/dbraw/zinc/84/86/89/343848689.db2.gz IZNAKVOHTXRLPV-QMMMGPOBSA-N 0 0 194.278 1.097 10 0 ADAERN Cc1cc(F)cc2c1O[C@H](C)[C@H]2O 129342689 343848692 /nfs/dbraw/zinc/84/86/92/343848692.db2.gz IBUNOOPRNMTBHP-HZGVNTEJSA-N 0 0 182.194 1.948 10 0 ADAERN CCCCNC(=O)Nc1n[nH]cc1C 129341986 343848700 /nfs/dbraw/zinc/84/87/00/343848700.db2.gz HELUENYEANBWKW-UHFFFAOYSA-N 0 0 196.254 1.640 10 0 ADAERN CCNC(=O)Nc1n[nH]cc1CC 129347889 343848724 /nfs/dbraw/zinc/84/87/24/343848724.db2.gz KLIUCAJJIHHWGY-UHFFFAOYSA-N 0 0 182.227 1.114 10 0 ADAERN Cc1c([C@H]2CCCO2)noc1N 129354449 343848733 /nfs/dbraw/zinc/84/87/33/343848733.db2.gz FKMNOMKVLIRMRU-ZCFIWIBFSA-N 0 0 168.196 1.417 10 0 ADAERN Cc1c[nH]nc1NC(=O)NC(C)(C)C 129344796 343848737 /nfs/dbraw/zinc/84/87/37/343848737.db2.gz UNFMEXMNRJKCAI-UHFFFAOYSA-N 0 0 196.254 1.638 10 0 ADAERN Cc1cc(F)cc2c1OC[C@H]2O 129339890 343848753 /nfs/dbraw/zinc/84/87/53/343848753.db2.gz IZMSJPBWPULPEJ-MRVPVSSYSA-N 0 0 168.167 1.560 10 0 ADAERN CCc1c([C@H]2CCCO2)noc1N 129354918 343848760 /nfs/dbraw/zinc/84/87/60/343848760.db2.gz ZGIUJQIYTMBUKG-SSDOTTSWSA-N 0 0 182.223 1.671 10 0 ADAERN Cc1c([C@@H]2CCCO2)noc1N 129354236 343848812 /nfs/dbraw/zinc/84/88/12/343848812.db2.gz FKMNOMKVLIRMRU-LURJTMIESA-N 0 0 168.196 1.417 10 0 ADAERN Cc1cc(F)cc2c1OC[C@@H]2O 129339693 343848823 /nfs/dbraw/zinc/84/88/23/343848823.db2.gz IZMSJPBWPULPEJ-QMMMGPOBSA-N 0 0 168.167 1.560 10 0 ADAERN CCNC(=O)Nc1n[nH]c(C)c1C 129339140 343848856 /nfs/dbraw/zinc/84/88/56/343848856.db2.gz PCHUDGKPBRQSEZ-UHFFFAOYSA-N 0 0 182.227 1.168 10 0 ADAERN Cc1c[nH]nc1NC(=O)NC(C)C 129341379 343848870 /nfs/dbraw/zinc/84/88/70/343848870.db2.gz BWJOVPGYFLZXLF-UHFFFAOYSA-N 0 0 182.227 1.248 10 0 ADAERN CCc1c(N)n[nH]c1[C@@H]1CCCO1 129351117 343848885 /nfs/dbraw/zinc/84/88/85/343848885.db2.gz NONHOXGZHFUSCO-ZETCQYMHSA-N 0 0 181.239 1.406 10 0 ADAERN CCN(C)C(=O)Nc1n[nH]cc1C 129342623 343848892 /nfs/dbraw/zinc/84/88/92/343848892.db2.gz IAZDQQYBIPSLSE-UHFFFAOYSA-N 0 0 182.227 1.202 10 0 ADAERN CCc1c[nH]nc1NC(=O)N(C)CC 129346575 343848897 /nfs/dbraw/zinc/84/88/97/343848897.db2.gz DNNYIJLTZRWKTE-UHFFFAOYSA-N 0 0 196.254 1.456 10 0 ADAERN CC(C)[C@@H]1CC(=O)N(C(C)C)C(=O)N1 129346914 343848903 /nfs/dbraw/zinc/84/89/03/343848903.db2.gz JDTUVDCTVJFYRO-QMMMGPOBSA-N 0 0 198.266 1.361 10 0 ADAERN Cc1c[nH]nc1NC(=O)OC(C)C 129342822 343848920 /nfs/dbraw/zinc/84/89/20/343848920.db2.gz OFUREVLUXBBKPL-UHFFFAOYSA-N 0 0 183.211 1.675 10 0 ADAERN CC(C)[C@H]1CC(=O)N(C(C)C)C(=O)N1 129347143 343848923 /nfs/dbraw/zinc/84/89/23/343848923.db2.gz JDTUVDCTVJFYRO-MRVPVSSYSA-N 0 0 198.266 1.361 10 0 ADAERN CCc1c[nH]nc1NC(=O)NC(C)C 129345942 343848939 /nfs/dbraw/zinc/84/89/39/343848939.db2.gz DQTWGNUWYCBGPR-UHFFFAOYSA-N 0 0 196.254 1.502 10 0 ADAERN N[C@H](c1ccccc1)c1cnco1 129375507 343849096 /nfs/dbraw/zinc/84/90/96/343849096.db2.gz KNSHXRALPAKWDT-SNVBAGLBSA-N 0 0 174.203 1.723 10 0 ADAERN CCc1cc(=O)n2[n-]c(C)c(C)c2n1 129417871 343849268 /nfs/dbraw/zinc/84/92/68/343849268.db2.gz REKKCDREAGROQD-UHFFFAOYSA-N 0 0 191.234 1.202 10 0 ADAERN N[C@@H](c1ccccc1)c1cnco1 129376029 343849366 /nfs/dbraw/zinc/84/93/66/343849366.db2.gz KNSHXRALPAKWDT-JTQLQIEISA-N 0 0 174.203 1.723 10 0 ADAERN CCn1ncc2c(N)cccc21 129451923 343850470 /nfs/dbraw/zinc/85/04/70/343850470.db2.gz LTMWETWKJHMVKS-UHFFFAOYSA-N 0 0 161.208 1.638 10 0 ADAERN Cc1ccc2c(c1)[C@]1(CC2)CC(=O)N1 129462505 343850504 /nfs/dbraw/zinc/85/05/04/343850504.db2.gz DKIGEUJXIFBIIG-LBPRGKRZSA-N 0 0 187.242 1.656 10 0 ADAERN CCNc1cc(CC)[nH]n1 129466691 343850579 /nfs/dbraw/zinc/85/05/79/343850579.db2.gz ZYXJIPUYVUURAV-UHFFFAOYSA-N 0 0 139.202 1.404 10 0 ADAERN CCNc1n[nH]cc1C 129467685 343851234 /nfs/dbraw/zinc/85/12/34/343851234.db2.gz GMHCTLZQGPJTKZ-UHFFFAOYSA-N 0 0 125.175 1.150 10 0 ADAERN Cc1ccc2c(c1)[C@@]1(CC2)CC(=O)N1 129462311 343850666 /nfs/dbraw/zinc/85/06/66/343850666.db2.gz DKIGEUJXIFBIIG-GFCCVEGCSA-N 0 0 187.242 1.656 10 0 ADAERN CCn1cc2cccc(N)c2n1 129457845 343850800 /nfs/dbraw/zinc/85/08/00/343850800.db2.gz GNKHLCZRDNATJR-UHFFFAOYSA-N 0 0 161.208 1.638 10 0 ADAERN CCc1cnn2cc(C=O)cnc12 129469790 343851009 /nfs/dbraw/zinc/85/10/09/343851009.db2.gz CKGOZWLTWNCVGK-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CCCNc1n[nH]cc1C 129467903 343851045 /nfs/dbraw/zinc/85/10/45/343851045.db2.gz QNAGFQVBSJLGPU-UHFFFAOYSA-N 0 0 139.202 1.540 10 0 ADAERN O[C@@H](c1nc[nH]n1)C1CCCCCC1 129483306 343851074 /nfs/dbraw/zinc/85/10/74/343851074.db2.gz QNNDVMUGUOSITF-SECBINFHSA-N 0 0 195.266 1.809 10 0 ADAERN Cc1nn2cc(C=O)cnc2c1C 129469320 343851175 /nfs/dbraw/zinc/85/11/75/343851175.db2.gz VWXXVXGQWACDTL-UHFFFAOYSA-N 0 0 175.191 1.159 10 0 ADAERN O[C@H](c1nc[nH]n1)C1CCCCCC1 129483527 343851202 /nfs/dbraw/zinc/85/12/02/343851202.db2.gz QNNDVMUGUOSITF-VIFPVBQESA-N 0 0 195.266 1.809 10 0 ADAERN CCCNc1cc(CC)[nH]n1 129466953 343851280 /nfs/dbraw/zinc/85/12/80/343851280.db2.gz PJZRBMBAPCBUST-UHFFFAOYSA-N 0 0 153.229 1.794 10 0 ADAERN CCNc1n[nH]cc1CC 129468153 343851296 /nfs/dbraw/zinc/85/12/96/343851296.db2.gz FJDXTLCOYSVINH-UHFFFAOYSA-N 0 0 139.202 1.404 10 0 ADAERN CCCNc1n[nH]cc1CC 129468593 343851342 /nfs/dbraw/zinc/85/13/42/343851342.db2.gz ZLJKKBURPSYAGI-UHFFFAOYSA-N 0 0 153.229 1.794 10 0 ADAERN CCc1cc2ncc(C=O)cn2n1 129468834 343851458 /nfs/dbraw/zinc/85/14/58/343851458.db2.gz QJGGWMPWIVIIGD-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN CCCc1cc(NCC)n[nH]1 129467176 343851471 /nfs/dbraw/zinc/85/14/71/343851471.db2.gz FOZKINGGOQBBJH-UHFFFAOYSA-N 0 0 153.229 1.794 10 0 ADAERN CCc1c[nH]nc1NC 129468379 343851484 /nfs/dbraw/zinc/85/14/84/343851484.db2.gz DQGCSLNUXVZWRG-UHFFFAOYSA-N 0 0 125.175 1.014 10 0 ADAERN CCc1sc(N)c(C(=O)NC)c1C 129506653 343851684 /nfs/dbraw/zinc/85/16/84/343851684.db2.gz CGSSCUGCOHAZMK-UHFFFAOYSA-N 0 0 198.291 1.561 10 0 ADAERN Cc1ccc2oc(N)nc2n1 129519042 343851791 /nfs/dbraw/zinc/85/17/91/343851791.db2.gz LODZQFCTBRDEHC-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN CCc1c(NC2CC2)n[nH]c1C 129520252 343851822 /nfs/dbraw/zinc/85/18/22/343851822.db2.gz YUAXLOMKTSJWNF-UHFFFAOYSA-N 0 0 165.240 1.855 10 0 ADAERN CCc1cnc(NC)nc1C 129522037 343851827 /nfs/dbraw/zinc/85/18/27/343851827.db2.gz URRCAFBNVFJVAD-UHFFFAOYSA-N 0 0 151.213 1.389 10 0 ADAERN CCc1sc(=NN)[nH]c1C 129514261 343851851 /nfs/dbraw/zinc/85/18/51/343851851.db2.gz YEFFPOBOSSRDPD-UHFFFAOYSA-N 0 0 157.242 1.300 10 0 ADAERN CCc1sc(-c2nc[nH]n2)nc1C 129519112 343851979 /nfs/dbraw/zinc/85/19/79/343851979.db2.gz CKEHEVVVWRNYHX-UHFFFAOYSA-N 0 0 194.263 1.799 10 0 ADAERN CCc1sc(C=O)nc1C 129516039 343852020 /nfs/dbraw/zinc/85/20/20/343852020.db2.gz PCDPDHFICUHTNZ-UHFFFAOYSA-N 0 0 155.222 1.826 10 0 ADAERN CCc1cnc(NC2CC2)nc1C 129522248 343852057 /nfs/dbraw/zinc/85/20/57/343852057.db2.gz DHHGEIMSZOQKSF-UHFFFAOYSA-N 0 0 177.251 1.922 10 0 ADAERN CCNc1n[nH]c(C)c1CC 129519552 343852098 /nfs/dbraw/zinc/85/20/98/343852098.db2.gz XSAKUXMPOAPCMW-UHFFFAOYSA-N 0 0 153.229 1.712 10 0 ADAERN CCNc1cc(CC)c(C)nn1 129514746 343852100 /nfs/dbraw/zinc/85/21/00/343852100.db2.gz XSAQTRYQMLTTFB-UHFFFAOYSA-N 0 0 165.240 1.779 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@H](O)C2 129508355 343852117 /nfs/dbraw/zinc/85/21/17/343852117.db2.gz BQXAATIHXDIWIL-SECBINFHSA-N 0 0 162.188 1.095 10 0 ADAERN CCc1c(NC)n[nH]c1C 129519322 343852142 /nfs/dbraw/zinc/85/21/42/343852142.db2.gz BHPBFANNDAWPGG-UHFFFAOYSA-N 0 0 139.202 1.322 10 0 ADAERN Cc1ccc2c(c1)C(=O)[C@@H](O)C2 129508581 343852152 /nfs/dbraw/zinc/85/21/52/343852152.db2.gz BQXAATIHXDIWIL-VIFPVBQESA-N 0 0 162.188 1.095 10 0 ADAERN Cc1ccc2c(n1)NC(=O)CCO2 129550629 343852539 /nfs/dbraw/zinc/85/25/39/343852539.db2.gz AGJKJHPEBBGTJY-UHFFFAOYSA-N 0 0 178.191 1.111 10 0 ADAERN Cc1ccc2oc(C3(N)CC3)nc2n1 129521683 343852193 /nfs/dbraw/zinc/85/21/93/343852193.db2.gz WGWQRXRENCZFAE-UHFFFAOYSA-N 0 0 189.218 1.479 10 0 ADAERN Cc1ccc2c(n1)NCCCO2 129550360 343852377 /nfs/dbraw/zinc/85/23/77/343852377.db2.gz CMESAAGBVFDAEX-UHFFFAOYSA-N 0 0 164.208 1.584 10 0 ADAERN CCOc1cccc(N(C)C)c1N 129555486 343852447 /nfs/dbraw/zinc/85/24/47/343852447.db2.gz BVNAANWLPNYKLK-UHFFFAOYSA-N 0 0 180.251 1.734 10 0 ADAERN Cc1ccc2oc([C@@H](C)N)nc2n1 129530710 343852507 /nfs/dbraw/zinc/85/25/07/343852507.db2.gz DXJSLVBKLBFVMQ-ZCFIWIBFSA-N 0 0 177.207 1.551 10 0 ADAERN CCOC(=O)c1cc(C)nnc1CC 129540818 343852513 /nfs/dbraw/zinc/85/25/13/343852513.db2.gz FXQUTPBNXVQPGG-UHFFFAOYSA-N 0 0 194.234 1.524 10 0 ADAERN Cc1ccc2oc([C@H](C)N)nc2n1 129530923 343852615 /nfs/dbraw/zinc/85/26/15/343852615.db2.gz DXJSLVBKLBFVMQ-LURJTMIESA-N 0 0 177.207 1.551 10 0 ADAERN COc1cccc(NC[C@@H](C)O)c1N 129583615 343852900 /nfs/dbraw/zinc/85/29/00/343852900.db2.gz NLHMVONQZAZAMQ-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN CCOc1cccc(NC)c1N 129562163 343852977 /nfs/dbraw/zinc/85/29/77/343852977.db2.gz QUIFYBOPBZMVIT-UHFFFAOYSA-N 0 0 166.224 1.709 10 0 ADAERN COc1cccc(N[C@@H](C)CO)c1N 129584322 343852981 /nfs/dbraw/zinc/85/29/81/343852981.db2.gz YGVPWFMAXUMWJD-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN COc1cccc(NC[C@H](C)O)c1N 129583425 343853169 /nfs/dbraw/zinc/85/31/69/343853169.db2.gz NLHMVONQZAZAMQ-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN CC[C@@H](NN)c1cscc1C 129557949 343853190 /nfs/dbraw/zinc/85/31/90/343853190.db2.gz KWFMJNNNJWAXJJ-MRVPVSSYSA-N 0 0 170.281 1.971 10 0 ADAERN CCN(C)c1cccc(OC)c1N 129572986 343853211 /nfs/dbraw/zinc/85/32/11/343853211.db2.gz PDBLMZCHMCGZRJ-UHFFFAOYSA-N 0 0 180.251 1.734 10 0 ADAERN COc1cccc(NC2CC2)c1N 129560315 343853215 /nfs/dbraw/zinc/85/32/15/343853215.db2.gz HRCHCWGRITVUHY-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN CCNc1cccc(OC)c1N 129562844 343853222 /nfs/dbraw/zinc/85/32/22/343853222.db2.gz XHSGIKQEFHQOQF-UHFFFAOYSA-N 0 0 166.224 1.709 10 0 ADAERN COc1cccc(N[C@H](C)CO)c1N 129584560 343853225 /nfs/dbraw/zinc/85/32/25/343853225.db2.gz YGVPWFMAXUMWJD-SSDOTTSWSA-N 0 0 196.250 1.070 10 0 ADAERN CC[C@H](NN)c1cscc1C 129557707 343853229 /nfs/dbraw/zinc/85/32/29/343853229.db2.gz KWFMJNNNJWAXJJ-QMMMGPOBSA-N 0 0 170.281 1.971 10 0 ADAERN FC(F)c1nc(Cl)no1 129599800 343853720 /nfs/dbraw/zinc/85/37/20/343853720.db2.gz AZIADQLKUADJPG-UHFFFAOYSA-N 0 0 154.503 1.661 10 0 ADAERN Cc1ccc(C)n1C1(CO)CCC1 129609828 343853809 /nfs/dbraw/zinc/85/38/09/343853809.db2.gz VBSYASKVOCOLDT-UHFFFAOYSA-N 0 0 179.263 1.976 10 0 ADAERN FC(F)c1nc(Br)no1 129599566 343853827 /nfs/dbraw/zinc/85/38/27/343853827.db2.gz OGOIIWMNXGCOMS-UHFFFAOYSA-N 0 0 198.954 1.770 10 0 ADAERN COc1cccc(-n2cccn2)c1N 129649144 343854156 /nfs/dbraw/zinc/85/41/56/343854156.db2.gz ISAIKRAYFJXPTD-UHFFFAOYSA-N 0 0 189.218 1.463 10 0 ADAERN CCN1C(=O)C[C@@H](C(C)(C)C)NC1=O 129652161 343854198 /nfs/dbraw/zinc/85/41/98/343854198.db2.gz IZJKGWMOYXVDGX-ZETCQYMHSA-N 0 0 198.266 1.363 10 0 ADAERN O[C@H](c1ccc[nH]1)C(F)F 129622869 343854214 /nfs/dbraw/zinc/85/42/14/343854214.db2.gz SLTDZZNZLHCHEQ-RXMQYKEDSA-N 0 0 147.124 1.313 10 0 ADAERN CSCC[C@H]1CSCC1=O 129622106 343854236 /nfs/dbraw/zinc/85/42/36/343854236.db2.gz UVNCFTLVAOGGFU-LURJTMIESA-N 0 0 176.306 1.672 10 0 ADAERN O[C@@H](c1cc[nH]c1)C(F)F 129623119 343854254 /nfs/dbraw/zinc/85/42/54/343854254.db2.gz XHTRIMRUKDFQCX-YFKPBYRVSA-N 0 0 147.124 1.313 10 0 ADAERN CCOc1cccc(NN(C)C)c1N 129642700 343854308 /nfs/dbraw/zinc/85/43/08/343854308.db2.gz NQEAUEHDFHOFBG-UHFFFAOYSA-N 0 0 195.266 1.556 10 0 ADAERN CCN1C(=O)C[C@H](C(C)(C)C)NC1=O 129651980 343854310 /nfs/dbraw/zinc/85/43/10/343854310.db2.gz IZJKGWMOYXVDGX-SSDOTTSWSA-N 0 0 198.266 1.363 10 0 ADAERN Nc1noc(C(F)(F)C(F)F)n1 129638929 343854345 /nfs/dbraw/zinc/85/43/45/343854345.db2.gz QLTCNQICQVFQDO-UHFFFAOYSA-N 0 0 185.080 1.009 10 0 ADAERN OCC1(n2cccc2)CCC1 129619626 343854349 /nfs/dbraw/zinc/85/43/49/343854349.db2.gz FOIPUEWVRHALNO-UHFFFAOYSA-N 0 0 151.209 1.360 10 0 ADAERN CN[C@@H](C)c1nnc(C(F)(F)F)o1 129649699 343854355 /nfs/dbraw/zinc/85/43/55/343854355.db2.gz BTIYYCYHMDMKLV-VKHMYHEASA-N 0 0 195.144 1.369 10 0 ADAERN COc1cccc2c1NC(=O)CCN2 129721451 343855235 /nfs/dbraw/zinc/85/52/35/343855235.db2.gz RREDWPVIKIGZKI-UHFFFAOYSA-N 0 0 192.218 1.449 10 0 ADAERN COc1cccc2c1[nH]c(=S)n2C 129697595 343855382 /nfs/dbraw/zinc/85/53/82/343855382.db2.gz QKTXXVSUYMELHC-UHFFFAOYSA-N 0 0 194.259 1.871 10 0 ADAERN COc1cccc2c1NC(=O)[C@@H](C)N2 129721886 343855462 /nfs/dbraw/zinc/85/54/62/343855462.db2.gz PGJPYWVXGAWOOJ-ZCFIWIBFSA-N 0 0 192.218 1.448 10 0 ADAERN CCOc1cccc2c1NCCN2 129735949 343855879 /nfs/dbraw/zinc/85/58/79/343855879.db2.gz RFRBZHYAEXRZCD-UHFFFAOYSA-N 0 0 178.235 1.923 10 0 ADAERN C[C@@H]1CC[C@H](N2CN=NC2=S)C1 129717724 343855586 /nfs/dbraw/zinc/85/55/86/343855586.db2.gz PXCMXVXOPRHFMA-RQJHMYQMSA-N 0 0 183.280 1.928 10 0 ADAERN CCOc1cccc2c1nc(N)n2C 129704099 343855597 /nfs/dbraw/zinc/85/55/97/343855597.db2.gz ZLHJMRFQUSXCAD-UHFFFAOYSA-N 0 0 191.234 1.554 10 0 ADAERN COc1cccc2c1NC[C@H](C)N2C 129749758 343855871 /nfs/dbraw/zinc/85/58/71/343855871.db2.gz BEXWKIXPEKTXGB-QMMMGPOBSA-N 0 0 192.262 1.945 10 0 ADAERN Cc1cc(-c2ccnn2C)cnc1N 129734421 343855895 /nfs/dbraw/zinc/85/58/95/343855895.db2.gz LBWGRRHOLZLPSV-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1cc(-c2nccn2C)cnc1N 129735096 343855931 /nfs/dbraw/zinc/85/59/31/343855931.db2.gz HEKYLAKTXGRHIV-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN COc1cccc2c1NCCCN2 129734619 343855939 /nfs/dbraw/zinc/85/59/39/343855939.db2.gz RLGILSAJFWGIMQ-UHFFFAOYSA-N 0 0 178.235 1.923 10 0 ADAERN COc1cccc2c1NC[C@@H](C)N2 129735033 343855993 /nfs/dbraw/zinc/85/59/93/343855993.db2.gz QYNVVOAKIJZAFS-SSDOTTSWSA-N 0 0 178.235 1.921 10 0 ADAERN CCN1CCNc2c(OC)cccc21 129750478 343856076 /nfs/dbraw/zinc/85/60/76/343856076.db2.gz PUKLYJWDDCKDPV-UHFFFAOYSA-N 0 0 192.262 1.947 10 0 ADAERN COc1cccc2c1NCCN2C 129736169 343856146 /nfs/dbraw/zinc/85/61/46/343856146.db2.gz QSTSTQKHYCQOPS-UHFFFAOYSA-N 0 0 178.235 1.557 10 0 ADAERN COc1cccc2c1NC[C@@H](C)N2C 129749538 343856205 /nfs/dbraw/zinc/85/62/05/343856205.db2.gz BEXWKIXPEKTXGB-MRVPVSSYSA-N 0 0 192.262 1.945 10 0 ADAERN CC1(C)CC[C@H](NC=O)C1 129730436 343856252 /nfs/dbraw/zinc/85/62/52/343856252.db2.gz UGYHPOAXEBLZBI-ZETCQYMHSA-N 0 0 141.214 1.311 10 0 ADAERN CC1(C)CC[C@@H](NC=O)C1 129730640 343856268 /nfs/dbraw/zinc/85/62/68/343856268.db2.gz UGYHPOAXEBLZBI-SSDOTTSWSA-N 0 0 141.214 1.311 10 0 ADAERN CCOc1cccc2c1NCCN2C 129736422 343856278 /nfs/dbraw/zinc/85/62/78/343856278.db2.gz QMEIIJSMTOLKDO-UHFFFAOYSA-N 0 0 192.262 1.947 10 0 ADAERN CC1(C)CC[C@@H]([C@@H]2CC(=O)NC2=O)C1 129851088 343857203 /nfs/dbraw/zinc/85/72/03/343857203.db2.gz RIHAJVJDEFTPPV-SFYZADRCSA-N 0 0 195.262 1.475 10 0 ADAERN CCNC(=O)N(C)c1ccccn1 129804696 343856520 /nfs/dbraw/zinc/85/65/20/343856520.db2.gz BGBKNNRHGJJMPC-UHFFFAOYSA-N 0 0 179.223 1.247 10 0 ADAERN CNC(=O)N(C)c1ccccc1F 129803334 343856697 /nfs/dbraw/zinc/85/66/97/343856697.db2.gz IHFWRWYFTXTGJF-UHFFFAOYSA-N 0 0 182.198 1.601 10 0 ADAERN C[C@H]1NCN(C2C(C)(C)C2(C)C)C1=O 129800635 343856774 /nfs/dbraw/zinc/85/67/74/343856774.db2.gz ORPIVLVXZXKBBV-SSDOTTSWSA-N 0 0 196.294 1.199 10 0 ADAERN CNC(=O)N(C)c1cccc(C)c1 129803805 343856877 /nfs/dbraw/zinc/85/68/77/343856877.db2.gz LCVSPBWJZVETEN-UHFFFAOYSA-N 0 0 178.235 1.771 10 0 ADAERN C[C@@H]1NCN(C2C(C)(C)C2(C)C)C1=O 129800838 343856915 /nfs/dbraw/zinc/85/69/15/343856915.db2.gz ORPIVLVXZXKBBV-ZETCQYMHSA-N 0 0 196.294 1.199 10 0 ADAERN CSCC(=O)N[C@H]1CC[C@H](C)C1 129849906 343857260 /nfs/dbraw/zinc/85/72/60/343857260.db2.gz JHWJAQIVOPMIOD-YUMQZZPRSA-N 0 0 187.308 1.654 10 0 ADAERN CSCC(=O)N[C@H]1CC[C@@H](C)C1 129849674 343857274 /nfs/dbraw/zinc/85/72/74/343857274.db2.gz JHWJAQIVOPMIOD-SFYZADRCSA-N 0 0 187.308 1.654 10 0 ADAERN CSCC(=O)N[C@@H]1CC[C@H](C)C1 129850327 343857435 /nfs/dbraw/zinc/85/74/35/343857435.db2.gz JHWJAQIVOPMIOD-JGVFFNPUSA-N 0 0 187.308 1.654 10 0 ADAERN CC1(C)CC[C@H]([C@@H]2CC(=O)NC2=O)C1 129850870 343857539 /nfs/dbraw/zinc/85/75/39/343857539.db2.gz RIHAJVJDEFTPPV-YUMQZZPRSA-N 0 0 195.262 1.475 10 0 ADAERN CSCC(=O)N[C@@H]1CC[C@@H](C)C1 129850130 343857607 /nfs/dbraw/zinc/85/76/07/343857607.db2.gz JHWJAQIVOPMIOD-HTQZYQBOSA-N 0 0 187.308 1.654 10 0 ADAERN C[C@@H]1NCC(=O)N1C1C(C)(C)C1(C)C 129865459 343858044 /nfs/dbraw/zinc/85/80/44/343858044.db2.gz UYLLJKRIBPYIDE-SSDOTTSWSA-N 0 0 196.294 1.199 10 0 ADAERN C[C@H]1NCC(=O)N1C1C(C)(C)C1(C)C 129865686 343858189 /nfs/dbraw/zinc/85/81/89/343858189.db2.gz UYLLJKRIBPYIDE-ZETCQYMHSA-N 0 0 196.294 1.199 10 0 ADAERN CC[C@@H](NN)c1cncs1 129909319 343858986 /nfs/dbraw/zinc/85/89/86/343858986.db2.gz PQHDOKXSRWVEQP-RXMQYKEDSA-N 0 0 157.242 1.058 10 0 ADAERN CC[C@H](NN)c1cncs1 129909087 343858678 /nfs/dbraw/zinc/85/86/78/343858678.db2.gz PQHDOKXSRWVEQP-YFKPBYRVSA-N 0 0 157.242 1.058 10 0 ADAERN CC[C@@H](NN)C1(C)CC1 129891729 343858684 /nfs/dbraw/zinc/85/86/84/343858684.db2.gz ICPVFHZGRKQODL-ZCFIWIBFSA-N 0 0 128.219 1.028 10 0 ADAERN C[C@@H]1NCN([C@@H]2CCCC2(C)C)C1=O 129886734 343858782 /nfs/dbraw/zinc/85/87/82/343858782.db2.gz KFRQONWFHFPALG-DTWKUNHWSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@H]1NCN([C@@H]2CCCC2(C)C)C1=O 129886521 343858824 /nfs/dbraw/zinc/85/88/24/343858824.db2.gz KFRQONWFHFPALG-RKDXNWHRSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1NCN([C@H]2CCCC2(C)C)C1=O 129887160 343858833 /nfs/dbraw/zinc/85/88/33/343858833.db2.gz KFRQONWFHFPALG-IUCAKERBSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@H]1NCN([C@H]2CCCC2(C)C)C1=O 129886948 343858947 /nfs/dbraw/zinc/85/89/47/343858947.db2.gz KFRQONWFHFPALG-BDAKNGLRSA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@H](NN)C1(C)CC1 129891491 343858968 /nfs/dbraw/zinc/85/89/68/343858968.db2.gz ICPVFHZGRKQODL-LURJTMIESA-N 0 0 128.219 1.028 10 0 ADAERN C[C@@H]1NCC(=O)N1[C@H]1CCCC1(C)C 129965276 343859319 /nfs/dbraw/zinc/85/93/19/343859319.db2.gz ZITLCHNNRMXNSM-BDAKNGLRSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1NCC(=O)N1[C@@H]1CCCC1(C)C 129964845 343859354 /nfs/dbraw/zinc/85/93/54/343859354.db2.gz ZITLCHNNRMXNSM-RKDXNWHRSA-N 0 0 196.294 1.343 10 0 ADAERN CCN(C)C(=O)N1CCCCC1 129976447 343859379 /nfs/dbraw/zinc/85/93/79/343859379.db2.gz AHHBTHZQLFAZLO-UHFFFAOYSA-N 0 0 170.256 1.544 10 0 ADAERN C[C@H]1NCC(=O)N1[C@H]1CCCC1(C)C 129965510 343859410 /nfs/dbraw/zinc/85/94/10/343859410.db2.gz ZITLCHNNRMXNSM-IUCAKERBSA-N 0 0 196.294 1.343 10 0 ADAERN CC(C)(C)CCNc1ncncc1N 129940924 343859504 /nfs/dbraw/zinc/85/95/04/343859504.db2.gz VXDWYDYXSUUZHP-UHFFFAOYSA-N 0 0 194.282 1.907 10 0 ADAERN Cc1c(N)n[nH]c1-c1ccc(F)cn1 129973753 343859510 /nfs/dbraw/zinc/85/95/10/343859510.db2.gz IYVZSQNTYJXDOL-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN C[C@H]1NCC(=O)N1[C@@H]1CCCC1(C)C 129965045 343859513 /nfs/dbraw/zinc/85/95/13/343859513.db2.gz ZITLCHNNRMXNSM-DTWKUNHWSA-N 0 0 196.294 1.343 10 0 ADAERN Nc1cc(-c2ccc(F)cn2)[nH]n1 129973506 343859567 /nfs/dbraw/zinc/85/95/67/343859567.db2.gz BJMNRUDLYARHMD-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN Nc1cc(-c2ccc(F)cn2)no1 129992090 343859858 /nfs/dbraw/zinc/85/98/58/343859858.db2.gz MYENFPFZXQWLSC-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Cc1c(-c2ccc(F)cn2)noc1N 129991887 343859959 /nfs/dbraw/zinc/85/99/59/343859959.db2.gz BEZAZIZVOUBRJD-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Fc1ccc(C2N=NC(=S)O2)nc1 129992718 343859997 /nfs/dbraw/zinc/85/99/97/343859997.db2.gz RNWULBYVHGNPAZ-UHFFFAOYSA-N 0 0 197.194 1.559 10 0 ADAERN Cc1nc(-c2ccc(F)cn2)n[nH]1 129995341 343860002 /nfs/dbraw/zinc/86/00/02/343860002.db2.gz MGCKOAJITQEMMU-UHFFFAOYSA-N 0 0 178.170 1.314 10 0 ADAERN OC[C@@]1(C2CCCCC2)CCOC1 130000486 343860175 /nfs/dbraw/zinc/86/01/75/343860175.db2.gz NJIATUWUVBJSLM-NSHDSACASA-N 0 0 184.279 1.966 10 0 ADAERN CCc1nc(-c2ccc(F)cn2)n[nH]1 129995547 343860075 /nfs/dbraw/zinc/86/00/75/343860075.db2.gz JJYNOMKBDLXDOB-UHFFFAOYSA-N 0 0 192.197 1.568 10 0 ADAERN OC[C@]1(C2CCCCC2)CCOC1 130000694 343860145 /nfs/dbraw/zinc/86/01/45/343860145.db2.gz NJIATUWUVBJSLM-LLVKDONJSA-N 0 0 184.279 1.966 10 0 ADAERN Nc1nnc(-c2ccc(F)cn2)s1 129991703 343860159 /nfs/dbraw/zinc/86/01/59/343860159.db2.gz GFJUURVKAKFOOB-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN OCC1(C2CCCC2)CCOCC1 129987154 343860190 /nfs/dbraw/zinc/86/01/90/343860190.db2.gz FXUDZCJRBACDAH-UHFFFAOYSA-N 0 0 184.279 1.966 10 0 ADAERN Fc1ccc(C2N=NC(=S)N2)nc1 129996419 343860209 /nfs/dbraw/zinc/86/02/09/343860209.db2.gz JSCCLYOQSBNHFW-UHFFFAOYSA-N 0 0 196.210 1.295 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@H]1CC[C@H](C)C1 130021243 343860338 /nfs/dbraw/zinc/86/03/38/343860338.db2.gz YMJAFVUDLNTDSC-LPEHRKFASA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1NCC(=O)N1[C@H]1CCC(C)(C)C1 130034312 343860358 /nfs/dbraw/zinc/86/03/58/343860358.db2.gz SSJXSKLEWRNZCG-BDAKNGLRSA-N 0 0 196.294 1.343 10 0 ADAERN CCNC(=O)c1ccc(NCC)cn1 130040228 343860368 /nfs/dbraw/zinc/86/03/68/343860368.db2.gz WESYGAKMGHBRKS-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CC(C)(C)CCNC#N 130027051 343860392 /nfs/dbraw/zinc/86/03/92/343860392.db2.gz CGAMOLRSKFKMGN-UHFFFAOYSA-N 0 0 126.203 1.493 10 0 ADAERN C[C@@H]1NCC(=O)N1[C@@H]1CCC(C)(C)C1 130033875 343860613 /nfs/dbraw/zinc/86/06/13/343860613.db2.gz SSJXSKLEWRNZCG-RKDXNWHRSA-N 0 0 196.294 1.343 10 0 ADAERN CNc1ccc(C(=O)NC(C)C)nc1 130035803 343860623 /nfs/dbraw/zinc/86/06/23/343860623.db2.gz VZEICYWUDMWYQD-UHFFFAOYSA-N 0 0 193.250 1.262 10 0 ADAERN CNc1ccc(C(=O)NC2CC2)nc1 130037675 343860655 /nfs/dbraw/zinc/86/06/55/343860655.db2.gz LRZXTJLIAFQYPQ-UHFFFAOYSA-N 0 0 191.234 1.016 10 0 ADAERN C[C@H]1NCC(=O)N1[C@H]1CCC(C)(C)C1 130034541 343860661 /nfs/dbraw/zinc/86/06/61/343860661.db2.gz SSJXSKLEWRNZCG-IUCAKERBSA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@@H]1CC[C@H](C)C1 130020788 343860674 /nfs/dbraw/zinc/86/06/74/343860674.db2.gz YMJAFVUDLNTDSC-IVZWLZJFSA-N 0 0 196.294 1.343 10 0 ADAERN Fc1ccc(-c2nc(Cl)no2)nc1 130024361 343860920 /nfs/dbraw/zinc/86/09/20/343860920.db2.gz KZOQABOSUWIVOI-UHFFFAOYSA-N 0 0 199.572 1.924 10 0 ADAERN COC(=O)N(C)CCSC 130058952 343861009 /nfs/dbraw/zinc/86/10/09/343861009.db2.gz CRNUNAVLDWUNIT-UHFFFAOYSA-N 0 0 163.242 1.048 10 0 ADAERN COC(=O)N1CC[C@@H](C(C)C)C1 130053550 343861022 /nfs/dbraw/zinc/86/10/22/343861022.db2.gz ZLXMCBNKYPCFJQ-MRVPVSSYSA-N 0 0 171.240 1.731 10 0 ADAERN CNC(=S)N1CC[C@H](C(C)C)C1 130076704 343861033 /nfs/dbraw/zinc/86/10/33/343861033.db2.gz NRCQUFODAXIDKT-QMMMGPOBSA-N 0 0 186.324 1.469 10 0 ADAERN CCN(C)C(=O)c1ccc(NC)cn1 130044265 343861142 /nfs/dbraw/zinc/86/11/42/343861142.db2.gz VQKSHPLZRVHGJG-UHFFFAOYSA-N 0 0 193.250 1.215 10 0 ADAERN O=C(c1ncccn1)[C@H]1CCCS1 130058983 343861181 /nfs/dbraw/zinc/86/11/81/343861181.db2.gz NQSYKZZWZZXBLM-SSDOTTSWSA-N 0 0 194.259 1.555 10 0 ADAERN Cc1c(-c2ncccn2)noc1N 130060640 343861316 /nfs/dbraw/zinc/86/13/16/343861316.db2.gz ZYBYLMUQAHQSIJ-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCc1c(-c2ncccn2)noc1N 130061028 343861320 /nfs/dbraw/zinc/86/13/20/343861320.db2.gz PPXJLECRJWNMMB-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CNC(=S)N1CC[C@@H](C(C)C)C1 130076521 343861438 /nfs/dbraw/zinc/86/14/38/343861438.db2.gz NRCQUFODAXIDKT-MRVPVSSYSA-N 0 0 186.324 1.469 10 0 ADAERN CC(C)(C)CCN1CC(=O)CC1=O 130066548 343861446 /nfs/dbraw/zinc/86/14/46/343861446.db2.gz MREGWFVSIRGZQQ-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN O=C(c1ncccn1)[C@@H]1CCCS1 130058767 343861487 /nfs/dbraw/zinc/86/14/87/343861487.db2.gz NQSYKZZWZZXBLM-ZETCQYMHSA-N 0 0 194.259 1.555 10 0 ADAERN CSCC(=O)c1ncccn1 130058559 343861513 /nfs/dbraw/zinc/86/15/13/343861513.db2.gz BUVDPDSADYBLGS-UHFFFAOYSA-N 0 0 168.221 1.022 10 0 ADAERN CC[C@H](NN)[C@H]1CCCS1 130102571 343861843 /nfs/dbraw/zinc/86/18/43/343861843.db2.gz DCTVPMYSFODFEA-NKWVEPMBSA-N 0 0 160.286 1.124 10 0 ADAERN Nc1n[nH]c(SCc2ccoc2)n1 130079652 343861892 /nfs/dbraw/zinc/86/18/92/343861892.db2.gz JLSUYORGHZHNEY-UHFFFAOYSA-N 0 0 196.235 1.272 10 0 ADAERN Nc1noc(-c2ncccn2)c1Cl 130087837 343861900 /nfs/dbraw/zinc/86/19/00/343861900.db2.gz SXOVRYUOOCRQEU-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN CC[C@@H](NN)[C@H]1CCCS1 130102793 343861949 /nfs/dbraw/zinc/86/19/49/343861949.db2.gz DCTVPMYSFODFEA-RNFRBKRXSA-N 0 0 160.286 1.124 10 0 ADAERN CC[C@@H](NN)[C@@H]1CCCS1 130102323 343862060 /nfs/dbraw/zinc/86/20/60/343862060.db2.gz DCTVPMYSFODFEA-RQJHMYQMSA-N 0 0 160.286 1.124 10 0 ADAERN CC[C@H](NN)[C@@H]1CCCS1 130102106 343862084 /nfs/dbraw/zinc/86/20/84/343862084.db2.gz DCTVPMYSFODFEA-BQBZGAKWSA-N 0 0 160.286 1.124 10 0 ADAERN Cc1c(N)noc1-c1ncccn1 130086765 343862089 /nfs/dbraw/zinc/86/20/89/343862089.db2.gz MMMCWMNJYPFIDT-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CNC(=O)Nc1cc(OC)ccc1F 130112852 343862457 /nfs/dbraw/zinc/86/24/57/343862457.db2.gz NJFMNGIEOYDPDH-UHFFFAOYSA-N 0 0 198.197 1.586 10 0 ADAERN CNC(=O)Nc1ccc(C)nc1C 130114339 343862678 /nfs/dbraw/zinc/86/26/78/343862678.db2.gz HGWWPVNPYRAAIK-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN NC(=S)c1ncccc1NC1CC1 130168209 343863105 /nfs/dbraw/zinc/86/31/05/343863105.db2.gz LQEOLHWPVVJSOX-UHFFFAOYSA-N 0 0 193.275 1.290 10 0 ADAERN CC[C@H](NN)[C@@H]1CCCCS1 130169415 343863325 /nfs/dbraw/zinc/86/33/25/343863325.db2.gz XYYGXAUNDOSVQI-YUMQZZPRSA-N 0 0 174.313 1.514 10 0 ADAERN CC(C)Nc1cccnc1C(N)=S 130166898 343863340 /nfs/dbraw/zinc/86/33/40/343863340.db2.gz UYZKDPFIPGSBBX-UHFFFAOYSA-N 0 0 195.291 1.536 10 0 ADAERN CC(C)(C)CCN1CCC(=O)NC1=O 130162733 343863359 /nfs/dbraw/zinc/86/33/59/343863359.db2.gz LYVWOTPCYAXGSL-UHFFFAOYSA-N 0 0 198.266 1.365 10 0 ADAERN CC[C@H](NN)[C@H]1CCCCS1 130169835 343863604 /nfs/dbraw/zinc/86/36/04/343863604.db2.gz XYYGXAUNDOSVQI-JGVFFNPUSA-N 0 0 174.313 1.514 10 0 ADAERN C[C@@H]1NCC(=O)N1CCC(C)(C)C 130184840 343863616 /nfs/dbraw/zinc/86/36/16/343863616.db2.gz NWCMYHQYLMNFHC-MRVPVSSYSA-N 0 0 184.283 1.200 10 0 ADAERN CCNc1cccnc1C(N)=S 130169628 343863873 /nfs/dbraw/zinc/86/38/73/343863873.db2.gz FDTGFCAVQKGHJM-UHFFFAOYSA-N 0 0 181.264 1.148 10 0 ADAERN CC[C@@H](NN)[C@H]1CCCCS1 130170076 343863950 /nfs/dbraw/zinc/86/39/50/343863950.db2.gz XYYGXAUNDOSVQI-HTQZYQBOSA-N 0 0 174.313 1.514 10 0 ADAERN CC[C@@H](NN)[C@@H]1CCCCS1 130169615 343864072 /nfs/dbraw/zinc/86/40/72/343864072.db2.gz XYYGXAUNDOSVQI-SFYZADRCSA-N 0 0 174.313 1.514 10 0 ADAERN COc1cc(C)c(N)c(C=O)c1 130194066 343864325 /nfs/dbraw/zinc/86/43/25/343864325.db2.gz PMAIWFDJKIGKOM-UHFFFAOYSA-N 0 0 165.192 1.398 10 0 ADAERN Cc1cc(C)c(C=O)c(N)c1 130194505 343864206 /nfs/dbraw/zinc/86/42/06/343864206.db2.gz HHEJOVBESNBJKW-UHFFFAOYSA-N 0 0 149.193 1.698 10 0 ADAERN COc1cc(F)cc(C=O)c1N 130192740 343864227 /nfs/dbraw/zinc/86/42/27/343864227.db2.gz YZANGYLDJVTTNG-UHFFFAOYSA-N 0 0 169.155 1.229 10 0 ADAERN COc1ccc(F)c(N)c1C=O 130193876 343864238 /nfs/dbraw/zinc/86/42/38/343864238.db2.gz VBSBNHXLAQPNNF-UHFFFAOYSA-N 0 0 169.155 1.229 10 0 ADAERN OC1(c2ccc(F)cn2)CC1 130194792 343864247 /nfs/dbraw/zinc/86/42/47/343864247.db2.gz CWRGMTQGAOPATL-UHFFFAOYSA-N 0 0 153.156 1.202 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccc(F)cn1 130195008 343864269 /nfs/dbraw/zinc/86/42/69/343864269.db2.gz BWJXZQAPCWOQEA-HZGVNTEJSA-N 0 0 167.183 1.448 10 0 ADAERN Nc1c(F)cc(Cl)cc1C=O 130196249 343864313 /nfs/dbraw/zinc/86/43/13/343864313.db2.gz BTEZTOQAYNLQPO-UHFFFAOYSA-N 0 0 173.574 1.874 10 0 ADAERN Nc1c(C=O)ccc(Cl)c1F 130198023 343864322 /nfs/dbraw/zinc/86/43/22/343864322.db2.gz GKLNIMAPSUBHCA-UHFFFAOYSA-N 0 0 173.574 1.874 10 0 ADAERN C[C@H]1NCC(=O)N1CCC(C)(C)C 130185029 343864360 /nfs/dbraw/zinc/86/43/60/343864360.db2.gz NWCMYHQYLMNFHC-QMMMGPOBSA-N 0 0 184.283 1.200 10 0 ADAERN Cc1cc(F)cc(C=O)c1N 130197375 343864423 /nfs/dbraw/zinc/86/44/23/343864423.db2.gz QKSSUDBKHLPMCQ-UHFFFAOYSA-N 0 0 153.156 1.529 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccc(F)cn1 130195427 343864542 /nfs/dbraw/zinc/86/45/42/343864542.db2.gz BWJXZQAPCWOQEA-MUWHJKNJSA-N 0 0 167.183 1.448 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccc(F)cn1 130195194 343864562 /nfs/dbraw/zinc/86/45/62/343864562.db2.gz BWJXZQAPCWOQEA-IMTBSYHQSA-N 0 0 167.183 1.448 10 0 ADAERN Cc1c(F)ccc(C=O)c1N 130198891 343864578 /nfs/dbraw/zinc/86/45/78/343864578.db2.gz GUDPOCXGEQBOGN-UHFFFAOYSA-N 0 0 153.156 1.529 10 0 ADAERN CCc1ccc(N)c(C=O)c1 130195144 343864589 /nfs/dbraw/zinc/86/45/89/343864589.db2.gz IFGFKKCPJTVQIZ-UHFFFAOYSA-N 0 0 149.193 1.644 10 0 ADAERN Cc1cc(F)c(N)c(C=O)c1 130196692 343864592 /nfs/dbraw/zinc/86/45/92/343864592.db2.gz MGXZIOCUGJXLCP-UHFFFAOYSA-N 0 0 153.156 1.529 10 0 ADAERN Cc1ccc(F)c(C=O)c1N 130196480 343864603 /nfs/dbraw/zinc/86/46/03/343864603.db2.gz CDCGPIMXQOBWKZ-UHFFFAOYSA-N 0 0 153.156 1.529 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccc(F)cn1 130195643 343864604 /nfs/dbraw/zinc/86/46/04/343864604.db2.gz BWJXZQAPCWOQEA-RCOVLWMOSA-N 0 0 167.183 1.448 10 0 ADAERN Cc1ccc(F)c(N)c1C=O 130196919 343864608 /nfs/dbraw/zinc/86/46/08/343864608.db2.gz AKNLDUMNXZULEY-UHFFFAOYSA-N 0 0 153.156 1.529 10 0 ADAERN Nc1c(F)ccc(F)c1C=O 130195866 343864616 /nfs/dbraw/zinc/86/46/16/343864616.db2.gz IUSDSMNZVPDTMB-UHFFFAOYSA-N 0 0 157.119 1.360 10 0 ADAERN Cc1cc(C=O)c(N)cc1F 130193391 343864640 /nfs/dbraw/zinc/86/46/40/343864640.db2.gz WCTNLLJIGQXNTP-UHFFFAOYSA-N 0 0 153.156 1.529 10 0 ADAERN Cn1cnnc1-c1ccc(F)cn1 130233553 343864814 /nfs/dbraw/zinc/86/48/14/343864814.db2.gz LBNOFNGOAJROBD-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN Nc1cc(-c2ccc(F)cn2)on1 130231813 343864842 /nfs/dbraw/zinc/86/48/42/343864842.db2.gz ACVIRKBPCAEHMN-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN CCn1cnnc1-c1ccc(F)cn1 130233312 343864935 /nfs/dbraw/zinc/86/49/35/343864935.db2.gz CHNZGMONRFCFMF-UHFFFAOYSA-N 0 0 192.197 1.499 10 0 ADAERN C[C@@H](C(=O)[O-])C1C[NH+](C2CCC2)C1 130229262 343865031 /nfs/dbraw/zinc/86/50/31/343865031.db2.gz IXPBDCNDDUUYNB-SSDOTTSWSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H](C(=O)[O-])C1C[NH+](C2CCC2)C1 130229047 343865163 /nfs/dbraw/zinc/86/51/63/343865163.db2.gz IXPBDCNDDUUYNB-ZETCQYMHSA-N 0 0 183.251 1.191 10 0 ADAERN Nc1nsc(-c2ccc(F)cn2)n1 130226626 343865211 /nfs/dbraw/zinc/86/52/11/343865211.db2.gz DWJFMWDIJUKVKT-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN C=Cc1nc(C(F)(F)F)no1 130251146 343865460 /nfs/dbraw/zinc/86/54/60/343865460.db2.gz ZAHUKKLDWATNHD-UHFFFAOYSA-N 0 0 164.086 1.731 10 0 ADAERN NC1(c2nc(C(F)(F)F)no2)CC1 130257059 343865615 /nfs/dbraw/zinc/86/56/15/343865615.db2.gz QFWVTNRNJYZEDJ-UHFFFAOYSA-N 0 0 193.128 1.036 10 0 ADAERN C[C@@](O)(Cc1ccoc1)C1CC1 130251719 343865625 /nfs/dbraw/zinc/86/56/25/343865625.db2.gz KBKHEDDUQNHYGI-SNVBAGLBSA-N 0 0 166.220 1.983 10 0 ADAERN CC[C@](C)(O)Cc1ccoc1 130249949 343865675 /nfs/dbraw/zinc/86/56/75/343865675.db2.gz CTYSHBLWPYGAQR-VIFPVBQESA-N 0 0 154.209 1.983 10 0 ADAERN CSCC[C@@H](C)[C@H](C)O 130273399 343865700 /nfs/dbraw/zinc/86/57/00/343865700.db2.gz ZSJHOGYRODBXBR-RQJHMYQMSA-N 0 0 148.271 1.756 10 0 ADAERN CSCC[C@@H](C)[C@@H](C)O 130272963 343865707 /nfs/dbraw/zinc/86/57/07/343865707.db2.gz ZSJHOGYRODBXBR-RNFRBKRXSA-N 0 0 148.271 1.756 10 0 ADAERN CSCC[C@H](C)[C@@H](C)O 130272783 343865751 /nfs/dbraw/zinc/86/57/51/343865751.db2.gz ZSJHOGYRODBXBR-NKWVEPMBSA-N 0 0 148.271 1.756 10 0 ADAERN CC[C@@](C)(O)Cc1ccoc1 130250171 343865824 /nfs/dbraw/zinc/86/58/24/343865824.db2.gz CTYSHBLWPYGAQR-SECBINFHSA-N 0 0 154.209 1.983 10 0 ADAERN C[C@](O)(Cc1ccoc1)C1CC1 130251912 343865847 /nfs/dbraw/zinc/86/58/47/343865847.db2.gz KBKHEDDUQNHYGI-JTQLQIEISA-N 0 0 166.220 1.983 10 0 ADAERN O[C@H](Cc1ccco1)c1ccncc1 130301393 343866181 /nfs/dbraw/zinc/86/61/81/343866181.db2.gz DVKBTKSNUAJBHU-LLVKDONJSA-N 0 0 189.214 1.951 10 0 ADAERN O[C@@H](Cc1ccco1)c1ccccn1 130315301 343866188 /nfs/dbraw/zinc/86/61/88/343866188.db2.gz WTVYGGYWEWAUAI-NSHDSACASA-N 0 0 189.214 1.951 10 0 ADAERN O[C@@H](Cc1ccco1)c1ccncc1 130301186 343866247 /nfs/dbraw/zinc/86/62/47/343866247.db2.gz DVKBTKSNUAJBHU-NSHDSACASA-N 0 0 189.214 1.951 10 0 ADAERN O[C@H](Cc1ccoc1)c1cccnc1 130313719 343866249 /nfs/dbraw/zinc/86/62/49/343866249.db2.gz YJTPSBWULYBVTN-LLVKDONJSA-N 0 0 189.214 1.951 10 0 ADAERN Cn1cc([C@@H](O)Cc2ccoc2)cn1 130312157 343866292 /nfs/dbraw/zinc/86/62/92/343866292.db2.gz MVQAITRJQZEHJI-JTQLQIEISA-N 0 0 192.218 1.289 10 0 ADAERN O[C@H](Cc1ccoc1)c1ccncc1 130300775 343866300 /nfs/dbraw/zinc/86/63/00/343866300.db2.gz NYDTZAKOXZJIOF-LLVKDONJSA-N 0 0 189.214 1.951 10 0 ADAERN Cn1cc([C@H](O)Cc2ccco2)cn1 130312379 343866302 /nfs/dbraw/zinc/86/63/02/343866302.db2.gz ZTUGBMWVLROUDF-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN C[C@@H](O)c1nc(C(F)(F)F)no1 130314635 343866309 /nfs/dbraw/zinc/86/63/09/343866309.db2.gz HBOYSPFPSAPVHA-UWTATZPHSA-N 0 0 182.101 1.142 10 0 ADAERN Cc1csc2nc3c(n12)C[NH2+]CC3 130325137 343866758 /nfs/dbraw/zinc/86/67/58/343866758.db2.gz AJNRXICAINTAFP-UHFFFAOYSA-N 0 0 193.275 1.350 10 0 ADAERN COC1CCC(O)(C(F)F)CC1 130329784 343866894 /nfs/dbraw/zinc/86/68/94/343866894.db2.gz MQXJYKOSRSISKO-UHFFFAOYSA-N 0 0 180.194 1.572 10 0 ADAERN O[C@H](Cc1ccoc1)C1CCOCC1 130382760 343867344 /nfs/dbraw/zinc/86/73/44/343867344.db2.gz PLMRUEUHKANAFM-LLVKDONJSA-N 0 0 196.246 1.610 10 0 ADAERN O[C@@H](Cc1ccco1)[C@H]1CCOC1 130359385 343867367 /nfs/dbraw/zinc/86/73/67/343867367.db2.gz PLYUJWZNLDTMPS-WPRPVWTQSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@H](Cc1ccoc1)C1CC1 130367026 343867370 /nfs/dbraw/zinc/86/73/70/343867370.db2.gz IRUBTDHAJRRHJG-SECBINFHSA-N 0 0 152.193 1.593 10 0 ADAERN O[C@H](Cc1ccoc1)[C@@H]1CCCOC1 130383692 343867377 /nfs/dbraw/zinc/86/73/77/343867377.db2.gz RVKRVFZYZSCIQR-GHMZBOCLSA-N 0 0 196.246 1.610 10 0 ADAERN O[C@H](Cc1ccco1)[C@@H]1CCOC1 130359183 343867387 /nfs/dbraw/zinc/86/73/87/343867387.db2.gz PLYUJWZNLDTMPS-PSASIEDQSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@H](Cc1ccoc1)[C@@H]1CCOC1 130358376 343867409 /nfs/dbraw/zinc/86/74/09/343867409.db2.gz FUDUQKXNJQEPRH-NXEZZACHSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@@H](Cc1ccoc1)[C@H]1CCOC1 130358585 343867429 /nfs/dbraw/zinc/86/74/29/343867429.db2.gz FUDUQKXNJQEPRH-UWVGGRQHSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@@H](Cc1ccco1)C1CCOCC1 130382998 343867484 /nfs/dbraw/zinc/86/74/84/343867484.db2.gz BBDWQNVIBBXHMV-NSHDSACASA-N 0 0 196.246 1.610 10 0 ADAERN O[C@H](Cc1ccco1)[C@H]1CCOC1 130359630 343867520 /nfs/dbraw/zinc/86/75/20/343867520.db2.gz PLYUJWZNLDTMPS-WCBMZHEXSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@@H](Cc1ccoc1)[C@@H]1CCOC1 130358140 343867528 /nfs/dbraw/zinc/86/75/28/343867528.db2.gz FUDUQKXNJQEPRH-ZJUUUORDSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@@H](Cc1ccoc1)C1CC1 130366820 343867532 /nfs/dbraw/zinc/86/75/32/343867532.db2.gz IRUBTDHAJRRHJG-VIFPVBQESA-N 0 0 152.193 1.593 10 0 ADAERN O[C@@H](Cc1ccco1)[C@@H]1CCOC1 130358980 343867561 /nfs/dbraw/zinc/86/75/61/343867561.db2.gz PLYUJWZNLDTMPS-SCZZXKLOSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@@H](Cc1ccoc1)C1CCOCC1 130382553 343867564 /nfs/dbraw/zinc/86/75/64/343867564.db2.gz PLMRUEUHKANAFM-NSHDSACASA-N 0 0 196.246 1.610 10 0 ADAERN O[C@H](Cc1ccoc1)[C@H]1CCOC1 130358788 343867613 /nfs/dbraw/zinc/86/76/13/343867613.db2.gz FUDUQKXNJQEPRH-VHSXEESVSA-N 0 0 182.219 1.220 10 0 ADAERN O[C@H](Cc1ccco1)C1CCOCC1 130383228 343867617 /nfs/dbraw/zinc/86/76/17/343867617.db2.gz BBDWQNVIBBXHMV-LLVKDONJSA-N 0 0 196.246 1.610 10 0 ADAERN O[C@@H](Cc1ccoc1)[C@@H]1CCCOC1 130383464 343867653 /nfs/dbraw/zinc/86/76/53/343867653.db2.gz RVKRVFZYZSCIQR-MNOVXSKESA-N 0 0 196.246 1.610 10 0 ADAERN Nc1ccnc(OCC(F)F)c1 130417601 343867874 /nfs/dbraw/zinc/86/78/74/343867874.db2.gz ZPVDQWXLAVEMPM-UHFFFAOYSA-N 0 0 174.150 1.308 10 0 ADAERN O[C@H](Cc1ccoc1)[C@H]1CCCOC1 130384120 343867888 /nfs/dbraw/zinc/86/78/88/343867888.db2.gz RVKRVFZYZSCIQR-WDEREUQCSA-N 0 0 196.246 1.610 10 0 ADAERN CC[C@@H](O)Cc1ccoc1 130392634 343867896 /nfs/dbraw/zinc/86/78/96/343867896.db2.gz GOXNMFJEBYUJIR-MRVPVSSYSA-N 0 0 140.182 1.593 10 0 ADAERN C[C@H]1C[C@](O)(Cc2ccoc2)CCO1 130405937 343867943 /nfs/dbraw/zinc/86/79/43/343867943.db2.gz QBNAQVCDCFDFIC-ONGXEEELSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@@H]1C[C@](O)(Cc2ccoc2)CCO1 130405731 343867958 /nfs/dbraw/zinc/86/79/58/343867958.db2.gz QBNAQVCDCFDFIC-KOLCDFICSA-N 0 0 196.246 1.752 10 0 ADAERN CC[C@H](O)Cc1ccoc1 130392415 343867971 /nfs/dbraw/zinc/86/79/71/343867971.db2.gz GOXNMFJEBYUJIR-QMMMGPOBSA-N 0 0 140.182 1.593 10 0 ADAERN CCNC(=S)N1C[C@H]2CCC[C@@H]2C1 130395593 343867991 /nfs/dbraw/zinc/86/79/91/343867991.db2.gz SFUPKFHTIXINPS-RKDXNWHRSA-N 0 0 198.335 1.613 10 0 ADAERN CNC(=S)N1C[C@H]2CCC[C@@H]2C1 130392120 343868015 /nfs/dbraw/zinc/86/80/15/343868015.db2.gz CMDNDLKZPFUABV-HTQZYQBOSA-N 0 0 184.308 1.223 10 0 ADAERN CC(C)OC(=O)COCC(F)F 130408762 343868067 /nfs/dbraw/zinc/86/80/67/343868067.db2.gz NFBULRHZESNPDA-UHFFFAOYSA-N 0 0 182.166 1.220 10 0 ADAERN O[C@H](Cc1ccoc1)c1ccncn1 130404797 343868106 /nfs/dbraw/zinc/86/81/06/343868106.db2.gz PLRXPDHKAWULBP-SNVBAGLBSA-N 0 0 190.202 1.346 10 0 ADAERN O[C@@H](Cc1ccoc1)c1ccncn1 130405042 343868115 /nfs/dbraw/zinc/86/81/15/343868115.db2.gz PLRXPDHKAWULBP-JTQLQIEISA-N 0 0 190.202 1.346 10 0 ADAERN O[C@@H](Cc1ccoc1)[C@H]1CCCOC1 130383910 343868120 /nfs/dbraw/zinc/86/81/20/343868120.db2.gz RVKRVFZYZSCIQR-QWRGUYRKSA-N 0 0 196.246 1.610 10 0 ADAERN CCNC(=S)N1C[C@@H]2CCC[C@H]2C1 130395808 343868188 /nfs/dbraw/zinc/86/81/88/343868188.db2.gz SFUPKFHTIXINPS-IUCAKERBSA-N 0 0 198.335 1.613 10 0 ADAERN CCOC(=O)CCOCC(F)F 130405460 343868261 /nfs/dbraw/zinc/86/82/61/343868261.db2.gz HEXFHRIOGCCMKT-UHFFFAOYSA-N 0 0 182.166 1.221 10 0 ADAERN COC(=O)C(C)(C)COCC(F)F 130411657 343868274 /nfs/dbraw/zinc/86/82/74/343868274.db2.gz OVMJJCOTZPXVNY-UHFFFAOYSA-N 0 0 196.193 1.467 10 0 ADAERN C[C@@H]1C[C@@](O)(Cc2ccoc2)CCO1 130406127 343868288 /nfs/dbraw/zinc/86/82/88/343868288.db2.gz QBNAQVCDCFDFIC-MWLCHTKSSA-N 0 0 196.246 1.752 10 0 ADAERN CNC(=S)N1C[C@@H]2CCC[C@H]2C1 130392348 343868289 /nfs/dbraw/zinc/86/82/89/343868289.db2.gz CMDNDLKZPFUABV-YUMQZZPRSA-N 0 0 184.308 1.223 10 0 ADAERN O[C@H](Cc1ccco1)c1ccncn1 130405482 343868294 /nfs/dbraw/zinc/86/82/94/343868294.db2.gz RDHLCUXMHAJBAA-SNVBAGLBSA-N 0 0 190.202 1.346 10 0 ADAERN O[C@@H](Cc1ccco1)c1ccncn1 130405276 343868296 /nfs/dbraw/zinc/86/82/96/343868296.db2.gz RDHLCUXMHAJBAA-JTQLQIEISA-N 0 0 190.202 1.346 10 0 ADAERN O[C@@]1(Cc2ccco2)CCCOCC1 130447097 343868562 /nfs/dbraw/zinc/86/85/62/343868562.db2.gz YVTOXOZKNKWJCY-NSHDSACASA-N 0 0 196.246 1.754 10 0 ADAERN Cc1cc(N)cnc1OCC(F)F 130430344 343868630 /nfs/dbraw/zinc/86/86/30/343868630.db2.gz VOGDOBRDBHRPJU-UHFFFAOYSA-N 0 0 188.177 1.616 10 0 ADAERN O=C1CCC(O)(Cc2ccco2)CC1 130462441 343868721 /nfs/dbraw/zinc/86/87/21/343868721.db2.gz UXBFXPJGCJTJJQ-UHFFFAOYSA-N 0 0 194.230 1.696 10 0 ADAERN Cc1ccnc(OCC(F)F)c1N 130428583 343868779 /nfs/dbraw/zinc/86/87/79/343868779.db2.gz REJUPGLEOCJQFK-UHFFFAOYSA-N 0 0 188.177 1.616 10 0 ADAERN O[C@@]1(Cc2ccoc2)CCCOCC1 130446654 343868797 /nfs/dbraw/zinc/86/87/97/343868797.db2.gz NXZIJNOZKJYEIN-NSHDSACASA-N 0 0 196.246 1.754 10 0 ADAERN O[C@]1(Cc2ccco2)CCCOCC1 130447304 343868805 /nfs/dbraw/zinc/86/88/05/343868805.db2.gz YVTOXOZKNKWJCY-LLVKDONJSA-N 0 0 196.246 1.754 10 0 ADAERN O[C@]1(Cc2ccoc2)CCCOCC1 130446874 343868815 /nfs/dbraw/zinc/86/88/15/343868815.db2.gz NXZIJNOZKJYEIN-LLVKDONJSA-N 0 0 196.246 1.754 10 0 ADAERN O[C@H](Cc1ccoc1)C1CCC1 130503359 343869021 /nfs/dbraw/zinc/86/90/21/343869021.db2.gz GBOFONBMRNRUAT-SNVBAGLBSA-N 0 0 166.220 1.983 10 0 ADAERN CCOc1cccnc1C(N)=S 130485615 343869089 /nfs/dbraw/zinc/86/90/89/343869089.db2.gz FVSZRNDEHWJDAV-UHFFFAOYSA-N 0 0 182.248 1.115 10 0 ADAERN Cn1cncc1[C@@H](O)Cc1ccoc1 130473018 343869334 /nfs/dbraw/zinc/86/93/34/343869334.db2.gz UPLHKMOFFDOUMK-JTQLQIEISA-N 0 0 192.218 1.289 10 0 ADAERN O[C@@H](Cc1ccoc1)C1CCC1 130503143 343869360 /nfs/dbraw/zinc/86/93/60/343869360.db2.gz GBOFONBMRNRUAT-JTQLQIEISA-N 0 0 166.220 1.983 10 0 ADAERN Cn1cncc1[C@H](O)Cc1ccco1 130473237 343869400 /nfs/dbraw/zinc/86/94/00/343869400.db2.gz QHHNXTCSIXLERJ-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN Cn1cncc1[C@@H](O)Cc1ccco1 130473392 343869439 /nfs/dbraw/zinc/86/94/39/343869439.db2.gz QHHNXTCSIXLERJ-JTQLQIEISA-N 0 0 192.218 1.289 10 0 ADAERN Cn1cncc1[C@H](O)Cc1ccoc1 130472836 343869455 /nfs/dbraw/zinc/86/94/55/343869455.db2.gz UPLHKMOFFDOUMK-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN O[C@@H](Cc1ccoc1)[C@H]1CCCO1 130562165 343870407 /nfs/dbraw/zinc/87/04/07/343870407.db2.gz JGOKIYWZYRMGQU-VHSXEESVSA-N 0 0 182.219 1.362 10 0 ADAERN O[C@@H](Cc1ccco1)[C@@H]1CCCO1 130562560 343870409 /nfs/dbraw/zinc/87/04/09/343870409.db2.gz XKUKXHQJFDASQQ-UWVGGRQHSA-N 0 0 182.219 1.362 10 0 ADAERN O[C@@H](Cc1ccoc1)[C@@H]1CCCO1 130561712 343870203 /nfs/dbraw/zinc/87/02/03/343870203.db2.gz JGOKIYWZYRMGQU-UWVGGRQHSA-N 0 0 182.219 1.362 10 0 ADAERN O=C(Cc1ccoc1)c1ncccn1 130589081 343870259 /nfs/dbraw/zinc/87/02/59/343870259.db2.gz FOZZUFWTDBMEHX-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN COC[C@H](O)c1cccc2c1NCC2 130567532 343870306 /nfs/dbraw/zinc/87/03/06/343870306.db2.gz VADKPTWGOZJTSH-JTQLQIEISA-N 0 0 193.246 1.334 10 0 ADAERN COC[C@@H](O)c1cccc2c1NCC2 130567748 343870321 /nfs/dbraw/zinc/87/03/21/343870321.db2.gz VADKPTWGOZJTSH-SNVBAGLBSA-N 0 0 193.246 1.334 10 0 ADAERN CCC(=O)Cc1ccoc1 130586474 343870332 /nfs/dbraw/zinc/87/03/32/343870332.db2.gz YXOYXTGXJKPEEW-UHFFFAOYSA-N 0 0 138.166 1.801 10 0 ADAERN O[C@H](Cc1ccoc1)[C@@H]1CCCO1 130561930 343870338 /nfs/dbraw/zinc/87/03/38/343870338.db2.gz JGOKIYWZYRMGQU-ZJUUUORDSA-N 0 0 182.219 1.362 10 0 ADAERN O[C@H](Cc1ccoc1)[C@H]1CCCO1 130562376 343870361 /nfs/dbraw/zinc/87/03/61/343870361.db2.gz JGOKIYWZYRMGQU-NXEZZACHSA-N 0 0 182.219 1.362 10 0 ADAERN O[C@@H](c1cccc2c1NCC2)C(F)F 130573259 343870393 /nfs/dbraw/zinc/87/03/93/343870393.db2.gz INNVZDIYOPZCPO-VIFPVBQESA-N 0 0 199.200 1.953 10 0 ADAERN O[C@@H](Cc1ccco1)[C@H]1CCCO1 130562946 343870441 /nfs/dbraw/zinc/87/04/41/343870441.db2.gz XKUKXHQJFDASQQ-VHSXEESVSA-N 0 0 182.219 1.362 10 0 ADAERN O=C(Cc1ccoc1)c1cnccn1 130588640 343870471 /nfs/dbraw/zinc/87/04/71/343870471.db2.gz FFFTZSACVMGYIY-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN O[C@H](Cc1ccco1)[C@H]1CCCO1 130563156 343870481 /nfs/dbraw/zinc/87/04/81/343870481.db2.gz XKUKXHQJFDASQQ-NXEZZACHSA-N 0 0 182.219 1.362 10 0 ADAERN O[C@H](Cc1ccco1)[C@@H]1CCCO1 130562734 343870494 /nfs/dbraw/zinc/87/04/94/343870494.db2.gz XKUKXHQJFDASQQ-ZJUUUORDSA-N 0 0 182.219 1.362 10 0 ADAERN O[C@H](c1cccc2c1NCC2)C(F)F 130573438 343870498 /nfs/dbraw/zinc/87/04/98/343870498.db2.gz INNVZDIYOPZCPO-SECBINFHSA-N 0 0 199.200 1.953 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1cncc(N)n1 130605866 343870756 /nfs/dbraw/zinc/87/07/56/343870756.db2.gz UPKYJNWVGKGBLO-SFYZADRCSA-N 0 0 192.266 1.294 10 0 ADAERN Nc1ncccc1NCc1ccoc1 130609565 343870927 /nfs/dbraw/zinc/87/09/27/343870927.db2.gz IGCFNQKWKIEXKD-UHFFFAOYSA-N 0 0 189.218 1.869 10 0 ADAERN O=C(Cc1ccoc1)c1ccncn1 130616443 343871013 /nfs/dbraw/zinc/87/10/13/343871013.db2.gz ABKRZQNRXVHHBB-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2cncc(N)n2)C1 130606455 343871034 /nfs/dbraw/zinc/87/10/34/343871034.db2.gz UPKYJNWVGKGBLO-JGVFFNPUSA-N 0 0 192.266 1.294 10 0 ADAERN FC(F)COc1cncc(Cl)n1 130617913 343871075 /nfs/dbraw/zinc/87/10/75/343871075.db2.gz SQFHEOICBOUHDT-UHFFFAOYSA-N 0 0 194.568 1.774 10 0 ADAERN O=C(Cc1ccco1)c1ccncn1 130616642 343871106 /nfs/dbraw/zinc/87/11/06/343871106.db2.gz HQHKTZACOFRXKP-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN O=C(Cc1ccco1)c1ncccn1 130589303 343871109 /nfs/dbraw/zinc/87/11/09/343871109.db2.gz HWNFGHMMKMJNEH-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN O=C(Cc1ccoc1)[C@H]1CCOC1 130631064 343871660 /nfs/dbraw/zinc/87/16/60/343871660.db2.gz OWXCVMHERCQZJH-VIFPVBQESA-N 0 0 180.203 1.428 10 0 ADAERN O=C(Cc1ccco1)[C@H]1CCCO1 130630587 343871353 /nfs/dbraw/zinc/87/13/53/343871353.db2.gz ZTBZKRWDSZXFNI-SNVBAGLBSA-N 0 0 180.203 1.570 10 0 ADAERN FC(F)COc1ccnc(Cl)n1 130624011 343871381 /nfs/dbraw/zinc/87/13/81/343871381.db2.gz GAFGFKLUCRSQOF-UHFFFAOYSA-N 0 0 194.568 1.774 10 0 ADAERN Fc1cccc(OCC(F)F)n1 130622650 343871405 /nfs/dbraw/zinc/87/14/05/343871405.db2.gz XOZUEZZYOVOLEF-UHFFFAOYSA-N 0 0 177.125 1.865 10 0 ADAERN Nc1n[nH]cc1C(=O)Cc1ccco1 130635014 343871432 /nfs/dbraw/zinc/87/14/32/343871432.db2.gz VGODPADSYMRNEE-UHFFFAOYSA-N 0 0 191.190 1.010 10 0 ADAERN Cc1ccncc1[C@@H](O)C(F)F 130630955 343871589 /nfs/dbraw/zinc/87/15/89/343871589.db2.gz IRKIMVKQDUKQBM-SSDOTTSWSA-N 0 0 173.162 1.689 10 0 ADAERN Cn1cc(C(=O)Cc2ccoc2)cn1 130629078 343871612 /nfs/dbraw/zinc/87/16/12/343871612.db2.gz OPXBKKPEZJYETO-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN Cc1ccncc1[C@H](O)C(F)F 130630760 343871626 /nfs/dbraw/zinc/87/16/26/343871626.db2.gz IRKIMVKQDUKQBM-ZETCQYMHSA-N 0 0 173.162 1.689 10 0 ADAERN C[C@H](C[NH+](C)C)Nc1nccs1 130636013 343871641 /nfs/dbraw/zinc/87/16/41/343871641.db2.gz FTYNGYLWPLPDJY-SSDOTTSWSA-N 0 0 185.296 1.505 10 0 ADAERN Nc1n[nH]cc1C(=O)Cc1ccoc1 130634793 343871650 /nfs/dbraw/zinc/87/16/50/343871650.db2.gz WJWSZYVHZRTZLF-UHFFFAOYSA-N 0 0 191.190 1.010 10 0 ADAERN O=C(Cc1ccco1)[C@@H]1CCOC1 130631277 343871653 /nfs/dbraw/zinc/87/16/53/343871653.db2.gz GLSBMYSINLWMEC-MRVPVSSYSA-N 0 0 180.203 1.428 10 0 ADAERN C[C@@]1(C(=O)Cc2ccco2)CCCO1 130681928 343872657 /nfs/dbraw/zinc/87/26/57/343872657.db2.gz VGHXBLOLJMJPTK-NSHDSACASA-N 0 0 194.230 1.960 10 0 ADAERN Cc1cn([C@H](C)C[NH+](C)C)c(=S)[nH]1 130690758 343872663 /nfs/dbraw/zinc/87/26/63/343872663.db2.gz DHCYBIOKGAEAPC-MRVPVSSYSA-N 0 0 199.323 1.603 10 0 ADAERN O=C(Cc1ccoc1)c1ncc[nH]1 130683459 343872666 /nfs/dbraw/zinc/87/26/66/343872666.db2.gz VPVNSAFXQLMUCQ-UHFFFAOYSA-N 0 0 176.175 1.428 10 0 ADAERN O=C1CCC[C@H](OCC(F)F)C1 130679982 343872693 /nfs/dbraw/zinc/87/26/93/343872693.db2.gz WTTPHGITFKHZIP-ZETCQYMHSA-N 0 0 178.178 1.780 10 0 ADAERN C[C@]1(C(=O)Cc2ccco2)CCCO1 130681753 343872728 /nfs/dbraw/zinc/87/27/28/343872728.db2.gz VGHXBLOLJMJPTK-LLVKDONJSA-N 0 0 194.230 1.960 10 0 ADAERN O=C(Cc1ccco1)c1ncc[nH]1 130683701 343872774 /nfs/dbraw/zinc/87/27/74/343872774.db2.gz PYYWOIPCMCUONI-UHFFFAOYSA-N 0 0 176.175 1.428 10 0 ADAERN C[C@@]1(C(=O)Cc2ccoc2)CCCO1 130681564 343872804 /nfs/dbraw/zinc/87/28/04/343872804.db2.gz URHFPDSILDZEKV-NSHDSACASA-N 0 0 194.230 1.960 10 0 ADAERN CN1CCC[C@H]1C(=O)OC(C)(C)C 130707693 343873236 /nfs/dbraw/zinc/87/32/36/343873236.db2.gz ZSIBQHJMGLGWKG-QMMMGPOBSA-N 0 0 185.267 1.422 10 0 ADAERN C[C@@H](O)c1ccn(CC(F)F)c1 130707212 343873211 /nfs/dbraw/zinc/87/32/11/343873211.db2.gz JFEVBBZWJJCEKI-ZCFIWIBFSA-N 0 0 175.178 1.807 10 0 ADAERN O[C@H](Cc1ccco1)c1cnccn1 130718437 343873260 /nfs/dbraw/zinc/87/32/60/343873260.db2.gz GCOUVSWLLAQNJW-SNVBAGLBSA-N 0 0 190.202 1.346 10 0 ADAERN O=C1CC[C@H](OCC(F)F)C1 130695478 343873288 /nfs/dbraw/zinc/87/32/88/343873288.db2.gz KBDUXJSNLSRFLT-LURJTMIESA-N 0 0 164.151 1.390 10 0 ADAERN Cn1cncc1C(=O)Cc1ccoc1 130706987 343873325 /nfs/dbraw/zinc/87/33/25/343873325.db2.gz JGPKUGXWMWGPOR-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN CN1CCC[C@@H]1C(=O)OC(C)(C)C 130700188 343873396 /nfs/dbraw/zinc/87/33/96/343873396.db2.gz ZSIBQHJMGLGWKG-MRVPVSSYSA-N 0 0 185.267 1.422 10 0 ADAERN Cn1cncc1C(=O)Cc1ccco1 130707213 343873410 /nfs/dbraw/zinc/87/34/10/343873410.db2.gz JXTMWBNDVBMHGD-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN O=Cc1ccn(CC(F)F)c1 130703178 343873420 /nfs/dbraw/zinc/87/34/20/343873420.db2.gz LAIRUAANTBTUOY-UHFFFAOYSA-N 0 0 159.135 1.566 10 0 ADAERN C[C@H](O)c1ccn(CC(F)F)c1 130707033 343873427 /nfs/dbraw/zinc/87/34/27/343873427.db2.gz JFEVBBZWJJCEKI-LURJTMIESA-N 0 0 175.178 1.807 10 0 ADAERN OCc1ccn(CC(F)F)c1 130706141 343873474 /nfs/dbraw/zinc/87/34/74/343873474.db2.gz IPSBHJYTZXFNHE-UHFFFAOYSA-N 0 0 161.151 1.246 10 0 ADAERN Cn1ccnc1C(=O)Cc1ccco1 130694168 343873482 /nfs/dbraw/zinc/87/34/82/343873482.db2.gz VAZFHKOZGGYQBL-UHFFFAOYSA-N 0 0 190.202 1.439 10 0 ADAERN O=C1CC[C@@H](OCC(F)F)C1 130695258 343873483 /nfs/dbraw/zinc/87/34/83/343873483.db2.gz KBDUXJSNLSRFLT-ZCFIWIBFSA-N 0 0 164.151 1.390 10 0 ADAERN CCSCCn1cccn1 130711219 343873495 /nfs/dbraw/zinc/87/34/95/343873495.db2.gz DKPDMNIXELUUAP-UHFFFAOYSA-N 0 0 156.254 1.636 10 0 ADAERN OCc1cccn1CC(F)F 130705924 343873498 /nfs/dbraw/zinc/87/34/98/343873498.db2.gz HYGDDNJQELZPSL-UHFFFAOYSA-N 0 0 161.151 1.246 10 0 ADAERN O[C@@H](Cc1ccco1)c1cnccn1 130718207 343873542 /nfs/dbraw/zinc/87/35/42/343873542.db2.gz GCOUVSWLLAQNJW-JTQLQIEISA-N 0 0 190.202 1.346 10 0 ADAERN O[C@H](Cc1ccco1)c1ncccn1 130719325 343873931 /nfs/dbraw/zinc/87/39/31/343873931.db2.gz KXYGAIIAKFZURF-SECBINFHSA-N 0 0 190.202 1.346 10 0 ADAERN O[C@@H](Cc1ccco1)c1ncccn1 130719080 343873981 /nfs/dbraw/zinc/87/39/81/343873981.db2.gz KXYGAIIAKFZURF-VIFPVBQESA-N 0 0 190.202 1.346 10 0 ADAERN O=C1CCN(Cc2ccoc2)C1 130736773 343873989 /nfs/dbraw/zinc/87/39/89/343873989.db2.gz WMTBNSJSDNBOHI-UHFFFAOYSA-N 0 0 165.192 1.054 10 0 ADAERN O=C1CCN(Cc2ccoc2)CC1 130737013 343874060 /nfs/dbraw/zinc/87/40/60/343874060.db2.gz MGEIMXWSWHSCTD-UHFFFAOYSA-N 0 0 179.219 1.445 10 0 ADAERN O[C@@H](Cc1ccoc1)C(F)(F)F 130747999 343874434 /nfs/dbraw/zinc/87/44/34/343874434.db2.gz IHDLUVOJFKMFKL-LURJTMIESA-N 0 0 180.125 1.745 10 0 ADAERN O[C@H]1CCCCC[C@H]1OCC(F)F 130762108 343874554 /nfs/dbraw/zinc/87/45/54/343874554.db2.gz HHHXHFRULULJHL-JGVFFNPUSA-N 0 0 194.221 1.962 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H](OCC(F)F)C1 130754858 343874522 /nfs/dbraw/zinc/87/45/22/343874522.db2.gz FTXSHTSSWUHJFS-GJMOJQLCSA-N 0 0 194.221 1.818 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1OCC(F)F 130762721 343874527 /nfs/dbraw/zinc/87/45/27/343874527.db2.gz HHHXHFRULULJHL-SFYZADRCSA-N 0 0 194.221 1.962 10 0 ADAERN O[C@H]1CCCCC[C@@H]1OCC(F)F 130762483 343874530 /nfs/dbraw/zinc/87/45/30/343874530.db2.gz HHHXHFRULULJHL-YUMQZZPRSA-N 0 0 194.221 1.962 10 0 ADAERN O[C@@H]1CCC[C@@H](OCC(F)F)C1 130756824 343874546 /nfs/dbraw/zinc/87/45/46/343874546.db2.gz PCYQRHMMDAOACR-RNFRBKRXSA-N 0 0 180.194 1.572 10 0 ADAERN O[C@@H]1CCC[C@@H]1OCC(F)F 130751721 343874643 /nfs/dbraw/zinc/87/46/43/343874643.db2.gz KHNOKLMDTJMXNA-RITPCOANSA-N 0 0 166.167 1.182 10 0 ADAERN C[C@H](O)[C@H](C)OCC(F)F 130749214 343874681 /nfs/dbraw/zinc/87/46/81/343874681.db2.gz DTTKUMOWMOEOTL-WHFBIAKZSA-N 0 0 154.156 1.037 10 0 ADAERN O[C@H](Cc1ccoc1)C(F)(F)F 130748193 343874684 /nfs/dbraw/zinc/87/46/84/343874684.db2.gz IHDLUVOJFKMFKL-ZCFIWIBFSA-N 0 0 180.125 1.745 10 0 ADAERN O[C@@H]1CC[C@@H](OCC(F)F)C1 130763160 343874694 /nfs/dbraw/zinc/87/46/94/343874694.db2.gz ZJEKRYLWPHAWTE-PHDIDXHHSA-N 0 0 166.167 1.182 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@H](OCC(F)F)C1 130755276 343874696 /nfs/dbraw/zinc/87/46/96/343874696.db2.gz FTXSHTSSWUHJFS-BWZBUEFSSA-N 0 0 194.221 1.818 10 0 ADAERN O[C@@H]1CC[C@H](OCC(F)F)C1 130762954 343874703 /nfs/dbraw/zinc/87/47/03/343874703.db2.gz ZJEKRYLWPHAWTE-RITPCOANSA-N 0 0 166.167 1.182 10 0 ADAERN O[C@@H]1CCCC[C@@H]1OCC(F)F 130773922 343875006 /nfs/dbraw/zinc/87/50/06/343875006.db2.gz ZPKKCDTUZYCIRJ-RQJHMYQMSA-N 0 0 180.194 1.572 10 0 ADAERN CC1=NN(C(C)(C)C)C(=O)C1N 130773045 343875056 /nfs/dbraw/zinc/87/50/56/343875056.db2.gz HLSRAVXLIAKAOA-UHFFFAOYSA-N 0 0 169.228 1.234 10 0 ADAERN O[C@@H]1CCCC[C@H]1OCC(F)F 130774109 343875069 /nfs/dbraw/zinc/87/50/69/343875069.db2.gz ZPKKCDTUZYCIRJ-RNFRBKRXSA-N 0 0 180.194 1.572 10 0 ADAERN O[C@H]1CCCC[C@H]1OCC(F)F 130774506 343875088 /nfs/dbraw/zinc/87/50/88/343875088.db2.gz ZPKKCDTUZYCIRJ-NKWVEPMBSA-N 0 0 180.194 1.572 10 0 ADAERN Cn1ccc([C@H](O)Cc2ccco2)n1 130777182 343875107 /nfs/dbraw/zinc/87/51/07/343875107.db2.gz MOFRETNOQBEVNY-SNVBAGLBSA-N 0 0 192.218 1.289 10 0 ADAERN Cn1ccc([C@@H](O)Cc2ccco2)n1 130777391 343875175 /nfs/dbraw/zinc/87/51/75/343875175.db2.gz MOFRETNOQBEVNY-JTQLQIEISA-N 0 0 192.218 1.289 10 0 ADAERN S=C1N=NCN1Cc1ccoc1 130833951 343875344 /nfs/dbraw/zinc/87/53/44/343875344.db2.gz MDHGTDBSAFLXAM-UHFFFAOYSA-N 0 0 181.220 1.208 10 0 ADAERN CC1N=NC(=S)N1Cc1ccoc1 130834369 343875353 /nfs/dbraw/zinc/87/53/53/343875353.db2.gz GCWUOSNHIXIFBR-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN CCC(CC)N1N=C(C)C(N)C1=O 130796615 343875380 /nfs/dbraw/zinc/87/53/80/343875380.db2.gz SFFRSZYRQIUOGB-UHFFFAOYSA-N 0 0 183.255 1.840 10 0 ADAERN c1cc(NCc2ccoc2)ncn1 130827072 343875609 /nfs/dbraw/zinc/87/56/09/343875609.db2.gz TXOYMCFCLHXUCZ-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CCCCN1N=C(C)C(N)C1=O 130795184 343875976 /nfs/dbraw/zinc/87/59/76/343875976.db2.gz HFNLWZLZFXVFQN-UHFFFAOYSA-N 0 0 169.228 1.279 10 0 ADAERN O[C@@H](Cc1ccoc1)c1ncc[nH]1 130861982 343876188 /nfs/dbraw/zinc/87/61/88/343876188.db2.gz HWRTYTAACBUVIN-QMMMGPOBSA-N 0 0 178.191 1.279 10 0 ADAERN CC(C)C(=O)N[C@@H]1CCCCC[C@@H]1O 130852195 343876195 /nfs/dbraw/zinc/87/61/95/343876195.db2.gz SKWYDYZSYVMVGU-ZJUUUORDSA-N 0 0 199.294 1.452 10 0 ADAERN C[C@]1([C@H](O)Cc2ccoc2)CCCO1 130857666 343876236 /nfs/dbraw/zinc/87/62/36/343876236.db2.gz FUPVGMMFDORNFG-GHMZBOCLSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@]1([C@H](O)Cc2ccco2)CCCO1 130858593 343876337 /nfs/dbraw/zinc/87/63/37/343876337.db2.gz KHHIZMYIPQVGBR-GHMZBOCLSA-N 0 0 196.246 1.752 10 0 ADAERN CC1([C@H](O)Cc2ccco2)CC1 130865839 343876365 /nfs/dbraw/zinc/87/63/65/343876365.db2.gz MXHQNBDYXZPZHA-SECBINFHSA-N 0 0 166.220 1.983 10 0 ADAERN C[C@]1([C@@H](O)Cc2ccoc2)CCCO1 130858123 343876373 /nfs/dbraw/zinc/87/63/73/343876373.db2.gz FUPVGMMFDORNFG-WDEREUQCSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@@]1([C@@H](O)Cc2ccco2)CCCO1 130859217 343876381 /nfs/dbraw/zinc/87/63/81/343876381.db2.gz KHHIZMYIPQVGBR-QWRGUYRKSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@@]1([C@H](O)Cc2ccoc2)CCCO1 130857918 343876513 /nfs/dbraw/zinc/87/65/13/343876513.db2.gz FUPVGMMFDORNFG-MNOVXSKESA-N 0 0 196.246 1.752 10 0 ADAERN O[C@H](Cc1ccco1)c1ncc[nH]1 130862651 343876579 /nfs/dbraw/zinc/87/65/79/343876579.db2.gz RMVZWMHPFHYUDN-MRVPVSSYSA-N 0 0 178.191 1.279 10 0 ADAERN CC(C)C(=O)N[C@H]1CCCCC[C@@H]1O 130852440 343876590 /nfs/dbraw/zinc/87/65/90/343876590.db2.gz SKWYDYZSYVMVGU-UWVGGRQHSA-N 0 0 199.294 1.452 10 0 ADAERN CC1(C)CCC[C@@H](N2CNCC2=O)C1 130858681 343876603 /nfs/dbraw/zinc/87/66/03/343876603.db2.gz FISQKPPYGWLSOZ-SECBINFHSA-N 0 0 196.294 1.345 10 0 ADAERN CC(C)C(=O)N[C@H]1CCCCC[C@H]1O 130852867 343876606 /nfs/dbraw/zinc/87/66/06/343876606.db2.gz SKWYDYZSYVMVGU-VHSXEESVSA-N 0 0 199.294 1.452 10 0 ADAERN C[C@]1([C@@H](O)Cc2ccco2)CCCO1 130858984 343876618 /nfs/dbraw/zinc/87/66/18/343876618.db2.gz KHHIZMYIPQVGBR-WDEREUQCSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@@]1([C@@H](O)Cc2ccoc2)CCCO1 130858350 343876634 /nfs/dbraw/zinc/87/66/34/343876634.db2.gz FUPVGMMFDORNFG-QWRGUYRKSA-N 0 0 196.246 1.752 10 0 ADAERN O[C@H](Cc1ccoc1)c1ncc[nH]1 130862176 343876656 /nfs/dbraw/zinc/87/66/56/343876656.db2.gz HWRTYTAACBUVIN-MRVPVSSYSA-N 0 0 178.191 1.279 10 0 ADAERN O[C@@H](Cc1ccco1)c1ncc[nH]1 130862403 343876660 /nfs/dbraw/zinc/87/66/60/343876660.db2.gz RMVZWMHPFHYUDN-QMMMGPOBSA-N 0 0 178.191 1.279 10 0 ADAERN CC(C)C(=O)N[C@@H]1CCCCC[C@H]1O 130852659 343876675 /nfs/dbraw/zinc/87/66/75/343876675.db2.gz SKWYDYZSYVMVGU-NXEZZACHSA-N 0 0 199.294 1.452 10 0 ADAERN CC1(C)CCC[C@H](N2CNCC2=O)C1 130858445 343876717 /nfs/dbraw/zinc/87/67/17/343876717.db2.gz FISQKPPYGWLSOZ-VIFPVBQESA-N 0 0 196.294 1.345 10 0 ADAERN CCC(=O)N[C@H]1CCCCC[C@@H]1O 130867750 343876962 /nfs/dbraw/zinc/87/69/62/343876962.db2.gz HVSQTRVPABQDGE-IUCAKERBSA-N 0 0 185.267 1.206 10 0 ADAERN CCCSc1nccc(N)n1 130874237 343877014 /nfs/dbraw/zinc/87/70/14/343877014.db2.gz PQKDBKAIFCKPFM-UHFFFAOYSA-N 0 0 169.253 1.561 10 0 ADAERN CCC(=O)N[C@@H]1CCCCC[C@@H]1O 130867573 343877019 /nfs/dbraw/zinc/87/70/19/343877019.db2.gz HVSQTRVPABQDGE-BDAKNGLRSA-N 0 0 185.267 1.206 10 0 ADAERN Nc1nsc(NCc2ccoc2)n1 130907489 343877022 /nfs/dbraw/zinc/87/70/22/343877022.db2.gz YAJOEQBBWVMLRO-UHFFFAOYSA-N 0 0 196.235 1.325 10 0 ADAERN CC1([C@@H](O)Cc2ccco2)CC1 130866051 343877040 /nfs/dbraw/zinc/87/70/40/343877040.db2.gz MXHQNBDYXZPZHA-VIFPVBQESA-N 0 0 166.220 1.983 10 0 ADAERN O=C(N[C@@H]1CCCCC[C@H]1O)C1CC1 130889838 343877103 /nfs/dbraw/zinc/87/71/03/343877103.db2.gz LYFWVLCMCCIOPI-NXEZZACHSA-N 0 0 197.278 1.206 10 0 ADAERN CCC(=O)N[C@H]1CCCCC[C@H]1O 130868114 343877110 /nfs/dbraw/zinc/87/71/10/343877110.db2.gz HVSQTRVPABQDGE-DTWKUNHWSA-N 0 0 185.267 1.206 10 0 ADAERN Cn1ccnc1[C@H](O)Cc1ccco1 130879515 343877237 /nfs/dbraw/zinc/87/72/37/343877237.db2.gz ZNBQGWIOIVHCBF-SECBINFHSA-N 0 0 192.218 1.289 10 0 ADAERN Cn1ccnc1[C@@H](O)Cc1ccoc1 130879274 343877260 /nfs/dbraw/zinc/87/72/60/343877260.db2.gz AVRVHUXYDRUJMC-VIFPVBQESA-N 0 0 192.218 1.289 10 0 ADAERN Cn1ccnc1[C@@H](O)Cc1ccco1 130879744 343877275 /nfs/dbraw/zinc/87/72/75/343877275.db2.gz ZNBQGWIOIVHCBF-VIFPVBQESA-N 0 0 192.218 1.289 10 0 ADAERN Cn1ccnc1[C@H](O)Cc1ccoc1 130879049 343877314 /nfs/dbraw/zinc/87/73/14/343877314.db2.gz AVRVHUXYDRUJMC-SECBINFHSA-N 0 0 192.218 1.289 10 0 ADAERN O[C@H](CC1CC1)C(F)F 130958763 343877585 /nfs/dbraw/zinc/87/75/85/343877585.db2.gz WPRULBYUJXEBBY-RXMQYKEDSA-N 0 0 136.141 1.413 10 0 ADAERN O=C1NCCCN1Cc1ccoc1 130926201 343877620 /nfs/dbraw/zinc/87/76/20/343877620.db2.gz ULLNXRCPKCOHKW-UHFFFAOYSA-N 0 0 180.207 1.195 10 0 ADAERN COC(=O)N[C@H]1CCCCC[C@H]1O 130916001 343877710 /nfs/dbraw/zinc/87/77/10/343877710.db2.gz DEOGENXVYKQMFT-JGVFFNPUSA-N 0 0 187.239 1.036 10 0 ADAERN COC(=O)N[C@H]1CCCCC[C@@H]1O 130915639 343877730 /nfs/dbraw/zinc/87/77/30/343877730.db2.gz DEOGENXVYKQMFT-YUMQZZPRSA-N 0 0 187.239 1.036 10 0 ADAERN CC(C)N1C(=S)N=NC1[C@H](C)O 130920285 343877771 /nfs/dbraw/zinc/87/77/71/343877771.db2.gz GPJZGHBTXWNGAP-YFKPBYRVSA-N 0 0 187.268 1.201 10 0 ADAERN COC(=O)N[C@@H]1CCCCC[C@@H]1O 130915411 343877792 /nfs/dbraw/zinc/87/77/92/343877792.db2.gz DEOGENXVYKQMFT-SFYZADRCSA-N 0 0 187.239 1.036 10 0 ADAERN O[C@@H](CC1CC1)C(F)F 130958563 343877796 /nfs/dbraw/zinc/87/77/96/343877796.db2.gz WPRULBYUJXEBBY-YFKPBYRVSA-N 0 0 136.141 1.413 10 0 ADAERN O=C(C(F)F)C1CCC1 130957311 343877810 /nfs/dbraw/zinc/87/78/10/343877810.db2.gz BYFJCTVXGUYEJC-UHFFFAOYSA-N 0 0 134.125 1.621 10 0 ADAERN NN[C@H]1C[C@H]1c1ccccc1 130964547 343878058 /nfs/dbraw/zinc/87/80/58/343878058.db2.gz JAEAPWLWSZTGAD-IUCAKERBSA-N 0 0 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COc1ccc2c(c1)O[C@H](C)C[C@H]2O 131001416 343878761 /nfs/dbraw/zinc/87/87/61/343878761.db2.gz BPNKHCYDQBHFET-GMSGAONNSA-N 0 0 194.230 1.900 10 0 ADAERN CN(CC1CC1)C(=O)NC(C)(C)C 130989116 343878770 /nfs/dbraw/zinc/87/87/70/343878770.db2.gz QLLHYXJCNWUMNL-UHFFFAOYSA-N 0 0 184.283 1.836 10 0 ADAERN C=Cc1nc(C2(OC)CCC2)no1 131012340 343878792 /nfs/dbraw/zinc/87/87/92/343878792.db2.gz FLQHVGMYLQJSPX-UHFFFAOYSA-N 0 0 180.207 1.738 10 0 ADAERN COc1ccc2c(c1)O[C@H](C)C[C@@H]2O 131000995 343878829 /nfs/dbraw/zinc/87/88/29/343878829.db2.gz BPNKHCYDQBHFET-XCBNKYQSSA-N 0 0 194.230 1.900 10 0 ADAERN COc1ccc2c(c1)O[C@@H](C)C[C@H]2O 131001644 343878840 /nfs/dbraw/zinc/87/88/40/343878840.db2.gz BPNKHCYDQBHFET-OIBJUYFYSA-N 0 0 194.230 1.900 10 0 ADAERN COCCCCSCCCO 131054645 343879264 /nfs/dbraw/zinc/87/92/64/343879264.db2.gz FSFOTRSHUFZKCV-UHFFFAOYSA-N 0 0 178.297 1.529 10 0 ADAERN COC1(c2noc([C@H](C)N)n2)CCC1 131035286 343879272 /nfs/dbraw/zinc/87/92/72/343879272.db2.gz NMQWQXQIYIRLAD-LURJTMIESA-N 0 0 197.238 1.115 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1OCC(F)F 131068076 343879330 /nfs/dbraw/zinc/87/93/30/343879330.db2.gz ORAWCYBXLIJRFK-PHDIDXHHSA-N 0 0 180.194 1.428 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1OCC(F)F 131067852 343879372 /nfs/dbraw/zinc/87/93/72/343879372.db2.gz ORAWCYBXLIJRFK-WDSKDSINSA-N 0 0 180.194 1.428 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1OCC(F)F 131068247 343879449 /nfs/dbraw/zinc/87/94/49/343879449.db2.gz ORAWCYBXLIJRFK-NTSWFWBYSA-N 0 0 180.194 1.428 10 0 ADAERN CC1(C)[C@@H](OCC(F)F)C[C@H]1O 131067598 343879481 /nfs/dbraw/zinc/87/94/81/343879481.db2.gz ORAWCYBXLIJRFK-RITPCOANSA-N 0 0 180.194 1.428 10 0 ADAERN Cc1nc(N)cc(OCC(F)F)n1 131120150 343879751 /nfs/dbraw/zinc/87/97/51/343879751.db2.gz RCCRXXDNEOHPTL-UHFFFAOYSA-N 0 0 189.165 1.011 10 0 ADAERN Cc1ccnc(NC2CC=CC2)n1 131109217 343879762 /nfs/dbraw/zinc/87/97/62/343879762.db2.gz DRGJMWAAOPBZHU-UHFFFAOYSA-N 0 0 175.235 1.916 10 0 ADAERN CNc1cc(OCC(F)F)ncn1 131108944 343879771 /nfs/dbraw/zinc/87/97/71/343879771.db2.gz QXIVPAAJWVMRPE-UHFFFAOYSA-N 0 0 189.165 1.162 10 0 ADAERN Nc1cncc(NC2CC=CC2)n1 131098637 343879796 /nfs/dbraw/zinc/87/97/96/343879796.db2.gz RANRDVDGXIYQLE-UHFFFAOYSA-N 0 0 176.223 1.189 10 0 ADAERN Cc1cc(NC2CC=CC2)ncn1 131094853 343879843 /nfs/dbraw/zinc/87/98/43/343879843.db2.gz GNLUGXKJWDFTKH-UHFFFAOYSA-N 0 0 175.235 1.916 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)C[C@@H](C)O2 131077184 343879853 /nfs/dbraw/zinc/87/98/53/343879853.db2.gz IFALBIFMBSGHLS-XCBNKYQSSA-N 0 0 194.230 1.900 10 0 ADAERN Cc1c(N)ncnc1OCC(F)F 131117411 343879877 /nfs/dbraw/zinc/87/98/77/343879877.db2.gz XPZKBYXOUVGFLV-UHFFFAOYSA-N 0 0 189.165 1.011 10 0 ADAERN CNc1cccc(OCC(F)F)n1 131106284 343879914 /nfs/dbraw/zinc/87/99/14/343879914.db2.gz ZESZRKRNKXITBU-UHFFFAOYSA-N 0 0 188.177 1.767 10 0 ADAERN CNc1cncc(OCC(F)F)n1 131115203 343879956 /nfs/dbraw/zinc/87/99/56/343879956.db2.gz XAKXYWBHUGEDNJ-UHFFFAOYSA-N 0 0 189.165 1.162 10 0 ADAERN CNc1nccc(OCC(F)F)n1 131112666 343880014 /nfs/dbraw/zinc/88/00/14/343880014.db2.gz LUABNVBHNKWLOE-UHFFFAOYSA-N 0 0 189.165 1.162 10 0 ADAERN COc1ccc2c(c1)[C@H](O)C[C@H](C)O2 131077778 343880054 /nfs/dbraw/zinc/88/00/54/343880054.db2.gz IFALBIFMBSGHLS-OIBJUYFYSA-N 0 0 194.230 1.900 10 0 ADAERN Cc1cc(C)c2nc(C=O)[nH]c2c1 131120738 343880061 /nfs/dbraw/zinc/88/00/61/343880061.db2.gz BIQYAPNJRPBZAZ-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN C1=CCC(Nc2cnccn2)C1 131109986 343880089 /nfs/dbraw/zinc/88/00/89/343880089.db2.gz FBUVDWYGCCBZEG-UHFFFAOYSA-N 0 0 161.208 1.607 10 0 ADAERN COc1ccc2c(c1)[C@H](O)C[C@@H](C)O2 131077588 343880093 /nfs/dbraw/zinc/88/00/93/343880093.db2.gz IFALBIFMBSGHLS-GMSGAONNSA-N 0 0 194.230 1.900 10 0 ADAERN C1=CCC(Nc2cccnn2)C1 131102138 343880117 /nfs/dbraw/zinc/88/01/17/343880117.db2.gz QIOVLVJJMBLVAT-UHFFFAOYSA-N 0 0 161.208 1.607 10 0 ADAERN COCC(=O)c1ncccc1F 131119070 343880164 /nfs/dbraw/zinc/88/01/64/343880164.db2.gz TYVRBECPXUVSGD-UHFFFAOYSA-N 0 0 169.155 1.050 10 0 ADAERN Nc1ncccc1-c1cnco1 131130212 343880332 /nfs/dbraw/zinc/88/03/32/343880332.db2.gz XMXXPJKAGODUPR-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)[nH]c2[C@H](C)C1 131127880 343880666 /nfs/dbraw/zinc/88/06/66/343880666.db2.gz YGIPJNIINXEERV-PHDIDXHHSA-N 0 0 166.224 1.801 10 0 ADAERN C[C@H]1C[C@@H](C)Cc2[nH]c(=O)[nH]c21 131128327 343880557 /nfs/dbraw/zinc/88/05/57/343880557.db2.gz YGIPJNIINXEERV-RITPCOANSA-N 0 0 166.224 1.801 10 0 ADAERN Cc1cnc(N)nc1OCC(F)F 131124965 343880578 /nfs/dbraw/zinc/88/05/78/343880578.db2.gz SROAOPRURWFLCK-UHFFFAOYSA-N 0 0 189.165 1.011 10 0 ADAERN C[C@@H]1Cc2[nH]c(=O)[nH]c2[C@@H](C)C1 131128125 343880604 /nfs/dbraw/zinc/88/06/04/343880604.db2.gz YGIPJNIINXEERV-WDSKDSINSA-N 0 0 166.224 1.801 10 0 ADAERN CSCCc1cccnc1N 131127392 343880652 /nfs/dbraw/zinc/88/06/52/343880652.db2.gz GBGYTLYFJIGTED-UHFFFAOYSA-N 0 0 168.265 1.569 10 0 ADAERN C[C@@H]1Cc2[nH]c(=O)[nH]c2[C@H](C)C1 131127683 343880724 /nfs/dbraw/zinc/88/07/24/343880724.db2.gz YGIPJNIINXEERV-NTSWFWBYSA-N 0 0 166.224 1.801 10 0 ADAERN CN1Cc2cc(CO)ccc2NC1=O 131139326 343880753 /nfs/dbraw/zinc/88/07/53/343880753.db2.gz LGICNDNWCKMLJP-UHFFFAOYSA-N 0 0 192.218 1.156 10 0 ADAERN CSCCc1cnc(N)s1 131146176 343880773 /nfs/dbraw/zinc/88/07/73/343880773.db2.gz OLOSBPVJZGLBEO-UHFFFAOYSA-N 0 0 174.294 1.631 10 0 ADAERN C[C@H](O)CO[C@@H]1CCCC[C@@H]1C 131189169 343881135 /nfs/dbraw/zinc/88/11/35/343881135.db2.gz RHMCTQLIDKMBED-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CCn1cncc1-c1cccnc1N 131187270 343881171 /nfs/dbraw/zinc/88/11/71/343881171.db2.gz HEYOEVCJPCFNMT-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN C[C@H](O)CO[C@H]1CCCC[C@@H]1C 131188742 343881182 /nfs/dbraw/zinc/88/11/82/343881182.db2.gz RHMCTQLIDKMBED-GUBZILKMSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](O)CO[C@@H]1CCCC[C@H]1C 131188948 343881196 /nfs/dbraw/zinc/88/11/96/343881196.db2.gz RHMCTQLIDKMBED-KXUCPTDWSA-N 0 0 172.268 1.963 10 0 ADAERN CCc1cnccc1[C@H](C)O 131174330 343881202 /nfs/dbraw/zinc/88/12/02/343881202.db2.gz CWTMMWNIJKYMFB-ZETCQYMHSA-N 0 0 151.209 1.697 10 0 ADAERN C[C@H](O)CO[C@H]1CCCC[C@H]1C 131188556 343881207 /nfs/dbraw/zinc/88/12/07/343881207.db2.gz RHMCTQLIDKMBED-UTLUCORTSA-N 0 0 172.268 1.963 10 0 ADAERN O[C@H](c1ncccc1F)C1CC1 131175305 343881241 /nfs/dbraw/zinc/88/12/41/343881241.db2.gz NBSTWYWXNBDHQF-VIFPVBQESA-N 0 0 167.183 1.664 10 0 ADAERN O[C@@H](c1ccoc1)c1ncccc1F 131183676 343881254 /nfs/dbraw/zinc/88/12/54/343881254.db2.gz NNOOSPWDVDAUDC-JTQLQIEISA-N 0 0 193.177 1.895 10 0 ADAERN O[C@@H](c1ncccc1F)C1CC1 131175089 343881265 /nfs/dbraw/zinc/88/12/65/343881265.db2.gz NBSTWYWXNBDHQF-SECBINFHSA-N 0 0 167.183 1.664 10 0 ADAERN CCn1cncc1-c1ccc(N)nc1 131188595 343881270 /nfs/dbraw/zinc/88/12/70/343881270.db2.gz KMNPMEHBXCNBGY-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCc1cnccc1[C@@H](C)O 131174568 343881289 /nfs/dbraw/zinc/88/12/89/343881289.db2.gz CWTMMWNIJKYMFB-SSDOTTSWSA-N 0 0 151.209 1.697 10 0 ADAERN O[C@H](c1ccoc1)c1ncccc1F 131183470 343881315 /nfs/dbraw/zinc/88/13/15/343881315.db2.gz NNOOSPWDVDAUDC-SNVBAGLBSA-N 0 0 193.177 1.895 10 0 ADAERN CCn1cncc1-c1ccnc(N)c1 131190721 343881667 /nfs/dbraw/zinc/88/16/67/343881667.db2.gz WKYLBEBTQFWUPY-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC(C)C(=O)NC1CC=CC1 131210400 343881938 /nfs/dbraw/zinc/88/19/38/343881938.db2.gz GKJPVEQFEZULMT-UHFFFAOYSA-N 0 0 153.225 1.477 10 0 ADAERN O[C@H](c1ccco1)c1ncccc1F 131226390 343882000 /nfs/dbraw/zinc/88/20/00/343882000.db2.gz UXXPIIHUMQSNSJ-SNVBAGLBSA-N 0 0 193.177 1.895 10 0 ADAERN CCC(=O)NC1CC=CC1 131213458 343882019 /nfs/dbraw/zinc/88/20/19/343882019.db2.gz RAOBOKAVOBOKKO-UHFFFAOYSA-N 0 0 139.198 1.231 10 0 ADAERN Nc1ncccc1-c1c[nH]cn1 131215404 343882071 /nfs/dbraw/zinc/88/20/71/343882071.db2.gz GZQABWPQDRHNDA-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN [NH3+][C@@H](Cc1ccco1)c1ccncn1 131227995 343882210 /nfs/dbraw/zinc/88/22/10/343882210.db2.gz IEYVNIXGLNQJQZ-VIFPVBQESA-N 0 0 189.218 1.312 10 0 ADAERN C[C@@H]1CCC[C@H](c2cncn2C)[NH2+]1 131234115 343882315 /nfs/dbraw/zinc/88/23/15/343882315.db2.gz NFISNQHMMIOIRP-RKDXNWHRSA-N 0 0 179.267 1.623 10 0 ADAERN O=c1ccncn1CCC(F)(F)F 131233150 343882324 /nfs/dbraw/zinc/88/23/24/343882324.db2.gz HGKZVXUIESDUIQ-UHFFFAOYSA-N 0 0 192.140 1.196 10 0 ADAERN O[C@@H](c1ccco1)c1ncccc1F 131226634 343882331 /nfs/dbraw/zinc/88/23/31/343882331.db2.gz UXXPIIHUMQSNSJ-JTQLQIEISA-N 0 0 193.177 1.895 10 0 ADAERN CCOC(=O)NC1CC=CC1 131214586 343882335 /nfs/dbraw/zinc/88/23/35/343882335.db2.gz HADAWACOCGSLKN-UHFFFAOYSA-N 0 0 155.197 1.451 10 0 ADAERN Nc1cc[nH+]cc1-c1c[nH]cn1 131218129 343882351 /nfs/dbraw/zinc/88/23/51/343882351.db2.gz DTPWCCCCJKASLN-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN [NH3+][C@H](Cc1ccco1)c1ccncn1 131228210 343882396 /nfs/dbraw/zinc/88/23/96/343882396.db2.gz IEYVNIXGLNQJQZ-SECBINFHSA-N 0 0 189.218 1.312 10 0 ADAERN Nc1ccc(-c2c[nH]cn2)cn1 131216624 343882411 /nfs/dbraw/zinc/88/24/11/343882411.db2.gz MRVMLHUNYKLXMS-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN CON[C@H]1COc2ccc(OC)cc21 131268318 343882603 /nfs/dbraw/zinc/88/26/03/343882603.db2.gz SGTJRWUTMVGAFI-VIFPVBQESA-N 0 0 195.218 1.280 10 0 ADAERN CON[C@H]1CCOc2ccc(C)cc21 131255201 343882606 /nfs/dbraw/zinc/88/26/06/343882606.db2.gz KBSGUZZYNHJEHG-JTQLQIEISA-N 0 0 193.246 1.970 10 0 ADAERN CON[C@@H]1c2cccc(C)c2O[C@@H]1C 131255839 343882620 /nfs/dbraw/zinc/88/26/20/343882620.db2.gz CJZYKGJEEZIKEO-SCZZXKLOSA-N 0 0 193.246 1.968 10 0 ADAERN CON[C@H]1CCOc2c(F)cccc21 131249430 343882643 /nfs/dbraw/zinc/88/26/43/343882643.db2.gz OVSIPWAHGGKQKQ-VIFPVBQESA-N 0 0 197.209 1.800 10 0 ADAERN CON[C@H]1CCOc2ccccc21 131261023 343882695 /nfs/dbraw/zinc/88/26/95/343882695.db2.gz UACAWNUPNMZYDP-VIFPVBQESA-N 0 0 179.219 1.661 10 0 ADAERN CON[C@H]1COc2c(C)cccc21 131255405 343882712 /nfs/dbraw/zinc/88/27/12/343882712.db2.gz RLFMFQULMDBBCC-VIFPVBQESA-N 0 0 179.219 1.580 10 0 ADAERN CON[C@H]1COc2ccc(Cl)cc21 131249874 343882739 /nfs/dbraw/zinc/88/27/39/343882739.db2.gz ZKWZWHPVCXLDKM-QMMMGPOBSA-N 0 0 199.637 1.925 10 0 ADAERN CON[C@@H]1COc2c(F)cccc21 131246229 343882755 /nfs/dbraw/zinc/88/27/55/343882755.db2.gz PLJIAUAIRXPXCM-MRVPVSSYSA-N 0 0 183.182 1.410 10 0 ADAERN CON[C@@H]1c2cccc(F)c2O[C@H]1C 131246889 343882762 /nfs/dbraw/zinc/88/27/62/343882762.db2.gz QUHYFRWZYQFVNI-RCOVLWMOSA-N 0 0 197.209 1.799 10 0 ADAERN CON[C@@H]1CCOc2ccc(C)cc21 131254986 343882789 /nfs/dbraw/zinc/88/27/89/343882789.db2.gz KBSGUZZYNHJEHG-SNVBAGLBSA-N 0 0 193.246 1.970 10 0 ADAERN CON[C@@H]1CCOc2ccccc21 131260805 343882846 /nfs/dbraw/zinc/88/28/46/343882846.db2.gz UACAWNUPNMZYDP-SECBINFHSA-N 0 0 179.219 1.661 10 0 ADAERN CON[C@H]1COc2c(F)cccc21 131246441 343882882 /nfs/dbraw/zinc/88/28/82/343882882.db2.gz PLJIAUAIRXPXCM-QMMMGPOBSA-N 0 0 183.182 1.410 10 0 ADAERN CON[C@@H]1c2cccc(C)c2O[C@H]1C 131256037 343882895 /nfs/dbraw/zinc/88/28/95/343882895.db2.gz CJZYKGJEEZIKEO-WPRPVWTQSA-N 0 0 193.246 1.968 10 0 ADAERN CON[C@H]1c2cccc(C)c2O[C@H]1C 131256417 343882909 /nfs/dbraw/zinc/88/29/09/343882909.db2.gz CJZYKGJEEZIKEO-WCBMZHEXSA-N 0 0 193.246 1.968 10 0 ADAERN CON[C@@H]1COc2ccc(Cl)cc21 131249653 343882934 /nfs/dbraw/zinc/88/29/34/343882934.db2.gz ZKWZWHPVCXLDKM-MRVPVSSYSA-N 0 0 199.637 1.925 10 0 ADAERN CON[C@H]1c2cccc(F)c2O[C@@H]1C 131247062 343882940 /nfs/dbraw/zinc/88/29/40/343882940.db2.gz QUHYFRWZYQFVNI-HZGVNTEJSA-N 0 0 197.209 1.799 10 0 ADAERN CON[C@@H]1COc2ccc(OC)cc21 131268112 343882963 /nfs/dbraw/zinc/88/29/63/343882963.db2.gz SGTJRWUTMVGAFI-SECBINFHSA-N 0 0 195.218 1.280 10 0 ADAERN CON[C@H]1c2cccc(F)c2O[C@H]1C 131247273 343882967 /nfs/dbraw/zinc/88/29/67/343882967.db2.gz QUHYFRWZYQFVNI-IMTBSYHQSA-N 0 0 197.209 1.799 10 0 ADAERN CON[C@H]1c2cccc(C)c2O[C@@H]1C 131256214 343882976 /nfs/dbraw/zinc/88/29/76/343882976.db2.gz CJZYKGJEEZIKEO-PSASIEDQSA-N 0 0 193.246 1.968 10 0 ADAERN CON[C@@H]1COc2c(C)cccc21 131255609 343882991 /nfs/dbraw/zinc/88/29/91/343882991.db2.gz RLFMFQULMDBBCC-SECBINFHSA-N 0 0 179.219 1.580 10 0 ADAERN CON[C@@H]1c2cccc(F)c2O[C@@H]1C 131246659 343883025 /nfs/dbraw/zinc/88/30/25/343883025.db2.gz QUHYFRWZYQFVNI-MUWHJKNJSA-N 0 0 197.209 1.799 10 0 ADAERN Cn1cncc1-c1ccnc(N)c1 131235635 343883037 /nfs/dbraw/zinc/88/30/37/343883037.db2.gz HPELYDMHWIGJPM-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CON[C@H]1COc2cc(C)cc(C)c21 131280460 343883371 /nfs/dbraw/zinc/88/33/71/343883371.db2.gz DGKNFSMKXLYFRR-VIFPVBQESA-N 0 0 193.246 1.888 10 0 ADAERN CO[C@@H](c1noc(N)n1)C(C)(C)C 131280681 343883384 /nfs/dbraw/zinc/88/33/84/343883384.db2.gz KBQYLODBGSINMB-YFKPBYRVSA-N 0 0 185.227 1.385 10 0 ADAERN CON[C@@H]1COc2ccc(F)cc21 131277440 343883400 /nfs/dbraw/zinc/88/34/00/343883400.db2.gz YKLBZEWQBBNOBN-MRVPVSSYSA-N 0 0 183.182 1.410 10 0 ADAERN CON[C@H]1c2cc(F)ccc2O[C@@H]1C 131278285 343883415 /nfs/dbraw/zinc/88/34/15/343883415.db2.gz IJPONFWITZYWQJ-LHLIQPBNSA-N 0 0 197.209 1.799 10 0 ADAERN CON[C@@H]1CCOc2ccc(F)cc21 131280049 343883435 /nfs/dbraw/zinc/88/34/35/343883435.db2.gz TWDWACFHQNMDOJ-SECBINFHSA-N 0 0 197.209 1.800 10 0 ADAERN CON[C@H]1c2cc(F)ccc2O[C@H]1C 131278489 343883451 /nfs/dbraw/zinc/88/34/51/343883451.db2.gz IJPONFWITZYWQJ-QUBYGPBYSA-N 0 0 197.209 1.799 10 0 ADAERN CON[C@H]1COc2ccc(F)cc21 131277661 343883492 /nfs/dbraw/zinc/88/34/92/343883492.db2.gz YKLBZEWQBBNOBN-QMMMGPOBSA-N 0 0 183.182 1.410 10 0 ADAERN CON[C@@H]1c2cc(F)ccc2O[C@H]1C 131278080 343883499 /nfs/dbraw/zinc/88/34/99/343883499.db2.gz IJPONFWITZYWQJ-WKEGUHRASA-N 0 0 197.209 1.799 10 0 ADAERN CON[C@H]1CCOc2ccc(F)cc21 131280284 343883504 /nfs/dbraw/zinc/88/35/04/343883504.db2.gz TWDWACFHQNMDOJ-VIFPVBQESA-N 0 0 197.209 1.800 10 0 ADAERN CO[C@H](c1noc(N)n1)C(C)(C)C 131280480 343883532 /nfs/dbraw/zinc/88/35/32/343883532.db2.gz KBQYLODBGSINMB-RXMQYKEDSA-N 0 0 185.227 1.385 10 0 ADAERN CON[C@@H]1c2cc(F)ccc2O[C@@H]1C 131277855 343883539 /nfs/dbraw/zinc/88/35/39/343883539.db2.gz IJPONFWITZYWQJ-LDWIPMOCSA-N 0 0 197.209 1.799 10 0 ADAERN CON[C@@H]1COc2cc(C)cc(C)c21 131280729 343883566 /nfs/dbraw/zinc/88/35/66/343883566.db2.gz DGKNFSMKXLYFRR-SECBINFHSA-N 0 0 193.246 1.888 10 0 ADAERN CON[C@@H]1COc2c1ccc(C)c2C 131321841 343883903 /nfs/dbraw/zinc/88/39/03/343883903.db2.gz LXZQJVOHPZZQIP-SNVBAGLBSA-N 0 0 193.246 1.888 10 0 ADAERN Cc1csc(NCC2(O)CCC2)n1 131332327 343883929 /nfs/dbraw/zinc/88/39/29/343883929.db2.gz GPNSHZKYCVWNNZ-UHFFFAOYSA-N 0 0 198.291 1.778 10 0 ADAERN N[C@H](c1ccoc1)c1ncccc1F 131324695 343884037 /nfs/dbraw/zinc/88/40/37/343884037.db2.gz CUNWULLNABSRAZ-SECBINFHSA-N 0 0 192.193 1.862 10 0 ADAERN CON[C@H]1COc2c1ccc(C)c2C 131321632 343884041 /nfs/dbraw/zinc/88/40/41/343884041.db2.gz LXZQJVOHPZZQIP-JTQLQIEISA-N 0 0 193.246 1.888 10 0 ADAERN CON[C@H]1COc2cc(C)c(C)cc21 131312425 343884104 /nfs/dbraw/zinc/88/41/04/343884104.db2.gz XIKVZBRMTPFGTC-JTQLQIEISA-N 0 0 193.246 1.888 10 0 ADAERN CON[C@@H]1COc2cc(C)c(C)cc21 131312624 343884143 /nfs/dbraw/zinc/88/41/43/343884143.db2.gz XIKVZBRMTPFGTC-SNVBAGLBSA-N 0 0 193.246 1.888 10 0 ADAERN N[C@@H](c1ccco1)c1ncccc1F 131343217 343884146 /nfs/dbraw/zinc/88/41/46/343884146.db2.gz VRKAMYJPHUMBAQ-VIFPVBQESA-N 0 0 192.193 1.862 10 0 ADAERN CCc1ccc2c(c1)[C@H](NOC)CO2 131376921 343884445 /nfs/dbraw/zinc/88/44/45/343884445.db2.gz FKGNNBPNOOGXIC-SNVBAGLBSA-N 0 0 193.246 1.834 10 0 ADAERN CCc1ccc2c(c1)[C@@H](NOC)CO2 131377116 343884460 /nfs/dbraw/zinc/88/44/60/343884460.db2.gz FKGNNBPNOOGXIC-JTQLQIEISA-N 0 0 193.246 1.834 10 0 ADAERN CCCc1nncn1C(C)(C)C 131354390 343884751 /nfs/dbraw/zinc/88/47/51/343884751.db2.gz GXSNQBYBLGQCQV-UHFFFAOYSA-N 0 0 167.256 1.986 10 0 ADAERN COC1(c2ncc(N)cn2)CCC1 131345424 343884822 /nfs/dbraw/zinc/88/48/22/343884822.db2.gz FHRHEPGLBMCQJH-UHFFFAOYSA-N 0 0 179.223 1.084 10 0 ADAERN C[NH2+][C@@H](c1ncccc1F)C1CC1 131423818 343885052 /nfs/dbraw/zinc/88/50/52/343885052.db2.gz YZLSZIDDPNJKNJ-SECBINFHSA-N 0 0 180.226 1.891 10 0 ADAERN C[NH2+][C@@H](C)c1ncccc1F 131426020 343885081 /nfs/dbraw/zinc/88/50/81/343885081.db2.gz RHRQCKKPEABHSD-LURJTMIESA-N 0 0 154.188 1.501 10 0 ADAERN CC[C@@H](OC)c1nsc(N)n1 131405686 343885125 /nfs/dbraw/zinc/88/51/25/343885125.db2.gz JXXGSJNVRKQTBY-SCSAIBSYSA-N 0 0 173.241 1.218 10 0 ADAERN CC[C@H](OC)c1nsc(N)n1 131405435 343885176 /nfs/dbraw/zinc/88/51/76/343885176.db2.gz JXXGSJNVRKQTBY-BYPYZUCNSA-N 0 0 173.241 1.218 10 0 ADAERN CO[C@@H](c1nsc(N)n1)C1CC1 131404762 343885236 /nfs/dbraw/zinc/88/52/36/343885236.db2.gz OGHNAYJQZMTSBT-RXMQYKEDSA-N 0 0 185.252 1.218 10 0 ADAERN C[NH2+][C@H](c1ncccc1F)C1CC1 131424021 343885260 /nfs/dbraw/zinc/88/52/60/343885260.db2.gz YZLSZIDDPNJKNJ-VIFPVBQESA-N 0 0 180.226 1.891 10 0 ADAERN CCc1cccc2c1OC[C@H]2NOC 131422754 343885384 /nfs/dbraw/zinc/88/53/84/343885384.db2.gz QFYORLWQKBCPOM-SNVBAGLBSA-N 0 0 193.246 1.834 10 0 ADAERN C[NH2+][C@H](C)c1ncccc1F 131426254 343885417 /nfs/dbraw/zinc/88/54/17/343885417.db2.gz RHRQCKKPEABHSD-ZCFIWIBFSA-N 0 0 154.188 1.501 10 0 ADAERN CO[C@H](c1nsc(N)n1)C1CC1 131404967 343885482 /nfs/dbraw/zinc/88/54/82/343885482.db2.gz OGHNAYJQZMTSBT-YFKPBYRVSA-N 0 0 185.252 1.218 10 0 ADAERN CCc1cccc2c1OC[C@@H]2NOC 131422534 343885490 /nfs/dbraw/zinc/88/54/90/343885490.db2.gz QFYORLWQKBCPOM-JTQLQIEISA-N 0 0 193.246 1.834 10 0 ADAERN CON[C@@H]1COc2cc(Cl)ccc21 131504438 343885715 /nfs/dbraw/zinc/88/57/15/343885715.db2.gz OPXSJIQTYRTCCZ-MRVPVSSYSA-N 0 0 199.637 1.925 10 0 ADAERN CON[C@@H]1COc2cc(OC)ccc21 131491420 343885727 /nfs/dbraw/zinc/88/57/27/343885727.db2.gz MMZBPHNONANAKY-SECBINFHSA-N 0 0 195.218 1.280 10 0 ADAERN CON[C@H]1COc2cc(OC)ccc21 131491201 343885790 /nfs/dbraw/zinc/88/57/90/343885790.db2.gz MMZBPHNONANAKY-VIFPVBQESA-N 0 0 195.218 1.280 10 0 ADAERN CON[C@H]1COc2c(F)ccc(C)c21 131488214 343885873 /nfs/dbraw/zinc/88/58/73/343885873.db2.gz OPDYLGGLGRKALX-QMMMGPOBSA-N 0 0 197.209 1.719 10 0 ADAERN CON[C@@H]1COc2cc(F)ccc21 131507815 343885930 /nfs/dbraw/zinc/88/59/30/343885930.db2.gz QPEMCRXJEDSQGU-MRVPVSSYSA-N 0 0 183.182 1.410 10 0 ADAERN CON[C@H]1COc2cc(F)ccc21 131508036 343885942 /nfs/dbraw/zinc/88/59/42/343885942.db2.gz QPEMCRXJEDSQGU-QMMMGPOBSA-N 0 0 183.182 1.410 10 0 ADAERN COC1(C(=O)c2cnccn2)CCC1 131591999 343886568 /nfs/dbraw/zinc/88/65/68/343886568.db2.gz IPWAGUGWDXVBED-UHFFFAOYSA-N 0 0 192.218 1.228 10 0 ADAERN Cc1cc2c(cc1Cl)NC(=O)[C@H]2O 131580444 343886591 /nfs/dbraw/zinc/88/65/91/343886591.db2.gz KLZNILHHFNHNNR-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN CON[C@@H]1CCOc2cc(F)ccc21 131510714 343886598 /nfs/dbraw/zinc/88/65/98/343886598.db2.gz XRIVGKMUXFXGRJ-SECBINFHSA-N 0 0 197.209 1.800 10 0 ADAERN CCN(C)c1ccc(C(C)=O)o1 131533347 343886608 /nfs/dbraw/zinc/88/66/08/343886608.db2.gz DWSLWQFKJLQKMH-UHFFFAOYSA-N 0 0 167.208 1.938 10 0 ADAERN CON[C@H]1CCOc2cc(C)ccc21 131513597 343886648 /nfs/dbraw/zinc/88/66/48/343886648.db2.gz VCTWMMVDQCVYCQ-JTQLQIEISA-N 0 0 193.246 1.970 10 0 ADAERN CON[C@H]1CCOc2cc(F)ccc21 131510931 343886662 /nfs/dbraw/zinc/88/66/62/343886662.db2.gz XRIVGKMUXFXGRJ-VIFPVBQESA-N 0 0 197.209 1.800 10 0 ADAERN CNC(=S)N(C)c1cccc(F)c1 131586930 343886698 /nfs/dbraw/zinc/88/66/98/343886698.db2.gz VDGCBMYVNZCVDA-UHFFFAOYSA-N 0 0 198.266 1.766 10 0 ADAERN COC1(C(=O)C2CCOCC2)CCC1 131598152 343887051 /nfs/dbraw/zinc/88/70/51/343887051.db2.gz AKODHVLMBLKACC-UHFFFAOYSA-N 0 0 198.262 1.551 10 0 ADAERN CCOC(=O)c1cc(N)cc(C)c1F 131638254 343887083 /nfs/dbraw/zinc/88/70/83/343887083.db2.gz PDTRGKUMANHORR-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN CC(=O)c1ccc(SC2COC2)o1 131597886 343887129 /nfs/dbraw/zinc/88/71/29/343887129.db2.gz UZFNYVFBEUOKOG-UHFFFAOYSA-N 0 0 198.243 1.973 10 0 ADAERN S=C1N=NCN1Cc1cncs1 131647454 343887150 /nfs/dbraw/zinc/88/71/50/343887150.db2.gz ZTGJDGJMCCISPE-UHFFFAOYSA-N 0 0 198.276 1.072 10 0 ADAERN c1cc(NCc2cncs2)ncn1 131637762 343887203 /nfs/dbraw/zinc/88/72/03/343887203.db2.gz AULBZWYUDHUAAH-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CN(C)C(=O)N(C)c1cccc(F)c1 131730801 343887713 /nfs/dbraw/zinc/88/77/13/343887713.db2.gz OYFTYTATQCQMGC-UHFFFAOYSA-N 0 0 196.225 1.944 10 0 ADAERN Cc1nsc(-n2cccc2)n1 131682216 343887729 /nfs/dbraw/zinc/88/77/29/343887729.db2.gz CFEYEZGLXVHAIC-UHFFFAOYSA-N 0 0 165.221 1.637 10 0 ADAERN CCSC(F)(F)CN 131746816 343888229 /nfs/dbraw/zinc/88/82/29/343888229.db2.gz JRUCOSNVYXGHRJ-UHFFFAOYSA-N 0 0 141.186 1.291 10 0 ADAERN CC(C)SC(F)(F)CN 131747209 343888285 /nfs/dbraw/zinc/88/82/85/343888285.db2.gz JPPWEUDQGMDSAF-UHFFFAOYSA-N 0 0 155.213 1.680 10 0 ADAERN COc1ccccc1C(F)(F)CN 131742407 343888342 /nfs/dbraw/zinc/88/83/42/343888342.db2.gz WZABREWFHCCBIQ-UHFFFAOYSA-N 0 0 187.189 1.746 10 0 ADAERN NCC(F)(F)c1cccs1 131745481 343888468 /nfs/dbraw/zinc/88/84/68/343888468.db2.gz KMJVIXOIXVHJJS-UHFFFAOYSA-N 0 0 163.192 1.799 10 0 ADAERN O=C1NCCCN1Cc1cncs1 131752533 343888480 /nfs/dbraw/zinc/88/84/80/343888480.db2.gz SHQZHSSVHVUUDP-UHFFFAOYSA-N 0 0 197.263 1.058 10 0 ADAERN Nc1csc(-c2cncs2)n1 131822726 343888614 /nfs/dbraw/zinc/88/86/14/343888614.db2.gz SGSRITGPCAXWMF-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN CC[C@@H](CO)CCSC 131815211 343888876 /nfs/dbraw/zinc/88/88/76/343888876.db2.gz YUOJWYYQCHZLNK-SSDOTTSWSA-N 0 0 148.271 1.758 10 0 ADAERN Nc1csc(-c2cnccn2)n1 131819388 343888909 /nfs/dbraw/zinc/88/89/09/343888909.db2.gz DVLFTEQKDFRDEY-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CC[C@H](CO)CCSC 131815030 343888954 /nfs/dbraw/zinc/88/89/54/343888954.db2.gz YUOJWYYQCHZLNK-ZETCQYMHSA-N 0 0 148.271 1.758 10 0 ADAERN CCNC(=O)c1cc(F)ccc1O 131791877 343888986 /nfs/dbraw/zinc/88/89/86/343888986.db2.gz BEJRXHUXCWQRKZ-UHFFFAOYSA-N 0 0 183.182 1.281 10 0 ADAERN Nc1csc(CC(F)(F)F)n1 131833371 343889201 /nfs/dbraw/zinc/88/92/01/343889201.db2.gz KZCAVRUBYVWQLP-UHFFFAOYSA-N 0 0 182.170 1.830 10 0 ADAERN CCO[C@@H](C)c1nc(N)cs1 131840891 343889273 /nfs/dbraw/zinc/88/92/73/343889273.db2.gz CXBYELRWPHBELF-YFKPBYRVSA-N 0 0 172.253 1.823 10 0 ADAERN Cn1ccnc1-c1nc(N)cs1 131836313 343889280 /nfs/dbraw/zinc/88/92/80/343889280.db2.gz QUIZOFVXFCSZQR-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Nc1csc(-c2ncccn2)n1 131845947 343889289 /nfs/dbraw/zinc/88/92/89/343889289.db2.gz CLRNFYJGBDZMTO-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCO[C@H](C)c1nc(N)cs1 131841094 343889292 /nfs/dbraw/zinc/88/92/92/343889292.db2.gz CXBYELRWPHBELF-RXMQYKEDSA-N 0 0 172.253 1.823 10 0 ADAERN Cn1ccc(-c2nc(N)cs2)n1 131837000 343889297 /nfs/dbraw/zinc/88/92/97/343889297.db2.gz NYNFOVFPMCPVDH-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN CCSCc1nc(N)cs1 131848077 343889300 /nfs/dbraw/zinc/88/93/00/343889300.db2.gz XGRWLNPWBLHWJJ-UHFFFAOYSA-N 0 0 174.294 1.978 10 0 ADAERN Cc1cnc(-c2nc(N)cs2)nc1 131830169 343889301 /nfs/dbraw/zinc/88/93/01/343889301.db2.gz HXEAQWKCOPEREA-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1csc([C@H]2CCCO2)n1 131841726 343889325 /nfs/dbraw/zinc/88/93/25/343889325.db2.gz GJAXWFJOEHYJNC-RXMQYKEDSA-N 0 0 170.237 1.577 10 0 ADAERN Nc1csc(-c2ccncn2)n1 131847871 343889334 /nfs/dbraw/zinc/88/93/34/343889334.db2.gz CNVPXYPPSBZFLE-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CC(C)Cc1nc(N)cs1 131830839 343889342 /nfs/dbraw/zinc/88/93/42/343889342.db2.gz YKZGVHRYEQNBMZ-UHFFFAOYSA-N 0 0 156.254 1.924 10 0 ADAERN CC1(c2nc(N)cs2)CC1 131836088 343889349 /nfs/dbraw/zinc/88/93/49/343889349.db2.gz WOFAXYZQEUOWJU-UHFFFAOYSA-N 0 0 154.238 1.777 10 0 ADAERN Nc1csc(C[C@@H]2CCCO2)n1 131832965 343889358 /nfs/dbraw/zinc/88/93/58/343889358.db2.gz KGTZKPUIHXWKQO-LURJTMIESA-N 0 0 184.264 1.447 10 0 ADAERN Nc1csc([C@@H]2CCCO2)n1 131841544 343889400 /nfs/dbraw/zinc/88/94/00/343889400.db2.gz GJAXWFJOEHYJNC-YFKPBYRVSA-N 0 0 170.237 1.577 10 0 ADAERN Nc1csc(CC2CC2)n1 131837483 343889411 /nfs/dbraw/zinc/88/94/11/343889411.db2.gz QCLCENPSXIPCRY-UHFFFAOYSA-N 0 0 154.238 1.678 10 0 ADAERN Nc1csc(-c2ccc(F)cn2)n1 131842957 343889449 /nfs/dbraw/zinc/88/94/49/343889449.db2.gz LSADTUVFYNFMEU-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Nc1csc(C[C@H]2CCCO2)n1 131833166 343889469 /nfs/dbraw/zinc/88/94/69/343889469.db2.gz KGTZKPUIHXWKQO-ZCFIWIBFSA-N 0 0 184.264 1.447 10 0 ADAERN C[C@H]1C[C@H]1c1nc(N)cs1 131869996 343889683 /nfs/dbraw/zinc/88/96/83/343889683.db2.gz JIWOVIKTYZWDFT-CRCLSJGQSA-N 0 0 154.238 1.849 10 0 ADAERN C[C@]1(c2nc(N)cs2)CCCO1 131868313 343889739 /nfs/dbraw/zinc/88/97/39/343889739.db2.gz DKPBKTKTVKLFGF-MRVPVSSYSA-N 0 0 184.264 1.751 10 0 ADAERN C[C@@]1(c2nc(N)cs2)CCCO1 131868547 343889781 /nfs/dbraw/zinc/88/97/81/343889781.db2.gz DKPBKTKTVKLFGF-QMMMGPOBSA-N 0 0 184.264 1.751 10 0 ADAERN c1csc(C[C@@H]2CCCO2)n1 131871435 343889790 /nfs/dbraw/zinc/88/97/90/343889790.db2.gz KLOZXERJRVYBDK-ZETCQYMHSA-N 0 0 169.249 1.865 10 0 ADAERN Nc1csc(Cc2ccccn2)n1 131851407 343889793 /nfs/dbraw/zinc/88/97/93/343889793.db2.gz VXIQPCPKZBUAMK-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CSCc1nc(N)cs1 131852546 343889811 /nfs/dbraw/zinc/88/98/11/343889811.db2.gz JJXLFLYAKJZFCF-UHFFFAOYSA-N 0 0 160.267 1.588 10 0 ADAERN CO[C@@H](C)c1nc(N)cs1 131856391 343889813 /nfs/dbraw/zinc/88/98/13/343889813.db2.gz QXADBQRHEGGJRN-BYPYZUCNSA-N 0 0 158.226 1.433 10 0 ADAERN Cc1cc(F)cc(-c2nc(N)n[nH]2)c1 131855783 343889843 /nfs/dbraw/zinc/88/98/43/343889843.db2.gz GWQQFGOTALEMJS-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CO[C@H](C)c1nc(N)cs1 131856584 343889853 /nfs/dbraw/zinc/88/98/53/343889853.db2.gz QXADBQRHEGGJRN-SCSAIBSYSA-N 0 0 158.226 1.433 10 0 ADAERN CCOCc1nc(N)cs1 131854447 343889862 /nfs/dbraw/zinc/88/98/62/343889862.db2.gz HEBGDIJKEDCNBO-UHFFFAOYSA-N 0 0 158.226 1.262 10 0 ADAERN Cn1cncc1-c1nc(N)cs1 131865894 343889863 /nfs/dbraw/zinc/88/98/63/343889863.db2.gz AGAXYXLXTCQIBK-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Nc1csc(Cc2ccncc2)n1 131860938 343889885 /nfs/dbraw/zinc/88/98/85/343889885.db2.gz SSPZVWUBTHBOFL-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(N)cs1 131869826 343889887 /nfs/dbraw/zinc/88/98/87/343889887.db2.gz JIWOVIKTYZWDFT-RFZPGFLSSA-N 0 0 154.238 1.849 10 0 ADAERN Nc1csc(-c2ccncc2F)n1 131864916 343889927 /nfs/dbraw/zinc/88/99/27/343889927.db2.gz ZBIWHWIOBMEQFN-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN COC(C)(C)c1nc(N)cs1 131856758 343889948 /nfs/dbraw/zinc/88/99/48/343889948.db2.gz HZXGASMUIAUGDW-UHFFFAOYSA-N 0 0 172.253 1.607 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(N)cs1 131869406 343889958 /nfs/dbraw/zinc/88/99/58/343889958.db2.gz JIWOVIKTYZWDFT-UHNVWZDZSA-N 0 0 154.238 1.849 10 0 ADAERN Cc1sc(C[C@H]2CCCO2)nc1N 131888958 343890305 /nfs/dbraw/zinc/89/03/05/343890305.db2.gz KEFUMOXSZNMDFC-SSDOTTSWSA-N 0 0 198.291 1.755 10 0 ADAERN Cc1sc(-c2cnccn2)nc1N 131872848 343890315 /nfs/dbraw/zinc/89/03/15/343890315.db2.gz LDGQSPRJPPTNDY-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCOCc1nccs1 131877156 343890349 /nfs/dbraw/zinc/89/03/49/343890349.db2.gz KUVNLQNSAOBXGR-UHFFFAOYSA-N 0 0 143.211 1.680 10 0 ADAERN c1csc([C@H]2CCOC2)n1 131875640 343890354 /nfs/dbraw/zinc/89/03/54/343890354.db2.gz LDTXEESKBVEUIG-LURJTMIESA-N 0 0 155.222 1.647 10 0 ADAERN Cc1sc(N(C)C)nc1N 131885694 343890384 /nfs/dbraw/zinc/89/03/84/343890384.db2.gz DRFZXPYEPXROLZ-UHFFFAOYSA-N 0 0 157.242 1.100 10 0 ADAERN Cc1sc([C@H]2CCCOC2)nc1N 131876698 343890406 /nfs/dbraw/zinc/89/04/06/343890406.db2.gz JHVGBOJRLSEGIT-ZETCQYMHSA-N 0 0 198.291 1.928 10 0 ADAERN CCc1nc(N)c(C)s1 131873250 343890420 /nfs/dbraw/zinc/89/04/20/343890420.db2.gz AWYGUBWUXISVGF-UHFFFAOYSA-N 0 0 142.227 1.596 10 0 ADAERN Cc1sc(-c2ccncn2)nc1N 131905218 343890637 /nfs/dbraw/zinc/89/06/37/343890637.db2.gz CXSSTOPBDDAKSW-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1sc(-c2ccn(C)n2)nc1N 131893260 343890831 /nfs/dbraw/zinc/89/08/31/343890831.db2.gz PHGSISMRTAZSBR-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1sc([C@H]2CCCO2)nc1N 131898168 343890840 /nfs/dbraw/zinc/89/08/40/343890840.db2.gz PSERNDXGMFIGTI-ZCFIWIBFSA-N 0 0 184.264 1.885 10 0 ADAERN Cc1sc(-c2ncccn2)nc1N 131903050 343890845 /nfs/dbraw/zinc/89/08/45/343890845.db2.gz RGOGNXFRSUZMTG-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1sc(C2CCOCC2)nc1N 131904963 343890872 /nfs/dbraw/zinc/89/08/72/343890872.db2.gz IGAPIBZYXINBGN-UHFFFAOYSA-N 0 0 198.291 1.928 10 0 ADAERN Cc1sc([C@@H]2CCCO2)nc1N 131897978 343890879 /nfs/dbraw/zinc/89/08/79/343890879.db2.gz PSERNDXGMFIGTI-LURJTMIESA-N 0 0 184.264 1.885 10 0 ADAERN COCc1nc(N)c(C)s1 131894623 343890885 /nfs/dbraw/zinc/89/08/85/343890885.db2.gz VWXWYYSSOCYLDD-UHFFFAOYSA-N 0 0 158.226 1.180 10 0 ADAERN Cc1cc(N)cc(C(=O)NC2CC2)c1 131925307 343890992 /nfs/dbraw/zinc/89/09/92/343890992.db2.gz KZJBTZRYQLFSNY-UHFFFAOYSA-N 0 0 190.246 1.469 10 0 ADAERN NNCc1cccc(C(F)F)c1 131953928 343891006 /nfs/dbraw/zinc/89/10/06/343891006.db2.gz QXRCFPRSNPOMIF-UHFFFAOYSA-N 0 0 172.178 1.588 10 0 ADAERN COc1ccc2c(c1)[C@H](NO)CC2 131954143 343891022 /nfs/dbraw/zinc/89/10/22/343891022.db2.gz WGPGCQCNHDODQS-SNVBAGLBSA-N 0 0 179.219 1.661 10 0 ADAERN Cc1ccc2c(c1)[C@@H](NO)CC2 131960923 343891035 /nfs/dbraw/zinc/89/10/35/343891035.db2.gz WSXCQGZTPBOPQG-JTQLQIEISA-N 0 0 163.220 1.961 10 0 ADAERN COc1ccc2c(c1)[C@@H](NO)CC2 131954334 343891049 /nfs/dbraw/zinc/89/10/49/343891049.db2.gz WGPGCQCNHDODQS-JTQLQIEISA-N 0 0 179.219 1.661 10 0 ADAERN Cc1ccc2c(c1)[C@H](NO)CC2 131960691 343891092 /nfs/dbraw/zinc/89/10/92/343891092.db2.gz WSXCQGZTPBOPQG-SNVBAGLBSA-N 0 0 163.220 1.961 10 0 ADAERN C[C@H]1C[C@@H](NO)CC[C@H]1C 131959889 343891095 /nfs/dbraw/zinc/89/10/95/343891095.db2.gz FNNIJVAXIAZOIG-CSMHCCOUSA-N 0 0 143.230 1.790 10 0 ADAERN Nc1ccc(F)cc1[C@@H](O)C1CC1 131935519 343891117 /nfs/dbraw/zinc/89/11/17/343891117.db2.gz SFLCHXYRMIDCOW-JTQLQIEISA-N 0 0 181.210 1.851 10 0 ADAERN Cc1sc(-c2cncn2C)nc1N 131925605 343891184 /nfs/dbraw/zinc/89/11/84/343891184.db2.gz BOWXLHGNOUKQMF-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCNC(=O)c1cc(C)cc(N)c1 131926502 343891213 /nfs/dbraw/zinc/89/12/13/343891213.db2.gz JDDAYRFNHWDSJO-UHFFFAOYSA-N 0 0 178.235 1.327 10 0 ADAERN C[C@H]1C[C@H](NO)CC[C@H]1C 131960283 343891244 /nfs/dbraw/zinc/89/12/44/343891244.db2.gz FNNIJVAXIAZOIG-GJMOJQLCSA-N 0 0 143.230 1.790 10 0 ADAERN Cc1cc(N)cc(-c2nnco2)c1 131951052 343891258 /nfs/dbraw/zinc/89/12/58/343891258.db2.gz HGVQRNCPQBYUFX-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCCNC(=O)c1cc(C)cc(N)c1 131923072 343891265 /nfs/dbraw/zinc/89/12/65/343891265.db2.gz DYCMSAPWCNHYRR-UHFFFAOYSA-N 0 0 192.262 1.717 10 0 ADAERN Nc1ccc(F)cc1[C@H](O)C1CC1 131935300 343891272 /nfs/dbraw/zinc/89/12/72/343891272.db2.gz SFLCHXYRMIDCOW-SNVBAGLBSA-N 0 0 181.210 1.851 10 0 ADAERN CC(=O)Nc1ccc(CNO)cc1 131955190 343891306 /nfs/dbraw/zinc/89/13/06/343891306.db2.gz FJOFNLPAGQIQPO-UHFFFAOYSA-N 0 0 180.207 1.124 10 0 ADAERN COC[C@@H](O)c1cc(F)ccc1N 131930280 343891340 /nfs/dbraw/zinc/89/13/40/343891340.db2.gz LFVPWEXJGYSXER-SECBINFHSA-N 0 0 185.198 1.088 10 0 ADAERN COC[C@H](O)c1cc(F)ccc1N 131930073 343891375 /nfs/dbraw/zinc/89/13/75/343891375.db2.gz LFVPWEXJGYSXER-VIFPVBQESA-N 0 0 185.198 1.088 10 0 ADAERN COCCc1nc(N)c(C)s1 131926054 343891380 /nfs/dbraw/zinc/89/13/80/343891380.db2.gz ONAZOBCXYFOLAD-UHFFFAOYSA-N 0 0 172.253 1.223 10 0 ADAERN Cc1cc(N)cc(-c2nnc(C)o2)c1 131951282 343891390 /nfs/dbraw/zinc/89/13/90/343891390.db2.gz FMOQPNCAKQNVGJ-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1cc(N)cc(C(=O)NC(C)C)c1 131924448 343891415 /nfs/dbraw/zinc/89/14/15/343891415.db2.gz QZAWCBGXKWYDFE-UHFFFAOYSA-N 0 0 192.262 1.715 10 0 ADAERN ONCc1cc(F)c(O)c(F)c1 131972288 343891490 /nfs/dbraw/zinc/89/14/90/343891490.db2.gz RAMFQVSZTMICSO-UHFFFAOYSA-N 0 0 175.134 1.149 10 0 ADAERN COc1ccc([C@H](C)NO)c(OC)c1 131982721 343891496 /nfs/dbraw/zinc/89/14/96/343891496.db2.gz JNLBPNBDPDKADX-ZETCQYMHSA-N 0 0 197.234 1.744 10 0 ADAERN CC1(C)CCSC[C@@H]1NO 131975224 343891507 /nfs/dbraw/zinc/89/15/07/343891507.db2.gz MHVRMAAXZOQZSS-LURJTMIESA-N 0 0 161.270 1.497 10 0 ADAERN CC1(C)Cc2cc(CNO)ccc2O1 131976315 343891530 /nfs/dbraw/zinc/89/15/30/343891530.db2.gz ZBKPCMAQOOEOCE-UHFFFAOYSA-N 0 0 193.246 1.879 10 0 ADAERN CCC[C@H]1C[C@@H](NO)CCO1 131973820 343891588 /nfs/dbraw/zinc/89/15/88/343891588.db2.gz PIRBRBMKAZAQMZ-YUMQZZPRSA-N 0 0 159.229 1.313 10 0 ADAERN CN1C(=O)C[C@@H](NO)c2ccccc21 131967496 343891597 /nfs/dbraw/zinc/89/15/97/343891597.db2.gz LOVJJBKGKOCFKP-MRVPVSSYSA-N 0 0 192.218 1.073 10 0 ADAERN ONCc1cnn(-c2ccccc2)c1 131964734 343891614 /nfs/dbraw/zinc/89/16/14/343891614.db2.gz TYLFANSGORAANQ-UHFFFAOYSA-N 0 0 189.218 1.351 10 0 ADAERN CCC[C@H]1C[C@H](NO)CCO1 131973413 343891636 /nfs/dbraw/zinc/89/16/36/343891636.db2.gz PIRBRBMKAZAQMZ-SFYZADRCSA-N 0 0 159.229 1.313 10 0 ADAERN CC1(C)Cc2cccc(CNO)c2O1 131973986 343891664 /nfs/dbraw/zinc/89/16/64/343891664.db2.gz IVURZEXOIVJKQC-UHFFFAOYSA-N 0 0 193.246 1.879 10 0 ADAERN COc1ccc(C2CC(NO)C2)cc1 131969767 343891679 /nfs/dbraw/zinc/89/16/79/343891679.db2.gz VUXRJNDWPUOOKQ-UHFFFAOYSA-N 0 0 193.246 1.920 10 0 ADAERN ONCc1cccc2c1NCC2 131976887 343891702 /nfs/dbraw/zinc/89/17/02/343891702.db2.gz QEDGKDCJZZZUCO-UHFFFAOYSA-N 0 0 164.208 1.133 10 0 ADAERN Nc1ccc2c(c1)CC[C@H]2NO 131974804 343891751 /nfs/dbraw/zinc/89/17/51/343891751.db2.gz ZUEGCAAXIPETDC-SECBINFHSA-N 0 0 164.208 1.235 10 0 ADAERN COc1ccc2c(c1)[C@@H](NO)CCO2 131962887 343891770 /nfs/dbraw/zinc/89/17/70/343891770.db2.gz DYUXUSLAMDRZCF-VIFPVBQESA-N 0 0 195.218 1.498 10 0 ADAERN CCC[C@@H]1C[C@@H](NO)CCO1 131973604 343891789 /nfs/dbraw/zinc/89/17/89/343891789.db2.gz PIRBRBMKAZAQMZ-JGVFFNPUSA-N 0 0 159.229 1.313 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1NO 131963472 343891796 /nfs/dbraw/zinc/89/17/96/343891796.db2.gz NIEXNMRTYCLIEP-GJMOJQLCSA-N 0 0 143.230 1.790 10 0 ADAERN CC1(C)CCSC[C@H]1NO 131975444 343891801 /nfs/dbraw/zinc/89/18/01/343891801.db2.gz MHVRMAAXZOQZSS-ZCFIWIBFSA-N 0 0 161.270 1.497 10 0 ADAERN COc1ccc2c(c1)[C@H](NO)CCO2 131962680 343891855 /nfs/dbraw/zinc/89/18/55/343891855.db2.gz DYUXUSLAMDRZCF-SECBINFHSA-N 0 0 195.218 1.498 10 0 ADAERN Nc1ccc2c(c1)CC[C@@H]2NO 131974614 343891866 /nfs/dbraw/zinc/89/18/66/343891866.db2.gz ZUEGCAAXIPETDC-VIFPVBQESA-N 0 0 164.208 1.235 10 0 ADAERN COc1ccc([C@@H](C)NO)c(OC)c1 131982923 343891872 /nfs/dbraw/zinc/89/18/72/343891872.db2.gz JNLBPNBDPDKADX-SSDOTTSWSA-N 0 0 197.234 1.744 10 0 ADAERN Cc1cc(N)cc(-c2ncc[nH]2)c1 131972438 343891883 /nfs/dbraw/zinc/89/18/83/343891883.db2.gz GLMXAEPSGMMSHP-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN C[C@H](NO)C1(C)CC1 131988133 343891892 /nfs/dbraw/zinc/89/18/92/343891892.db2.gz OPKWTSQAJHMTCL-YFKPBYRVSA-N 0 0 115.176 1.154 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@H](NO)C1 131963871 343891902 /nfs/dbraw/zinc/89/19/02/343891902.db2.gz NIEXNMRTYCLIEP-BWZBUEFSSA-N 0 0 143.230 1.790 10 0 ADAERN C[C@@H](NO)C1(C)CC1 131988347 343891919 /nfs/dbraw/zinc/89/19/19/343891919.db2.gz OPKWTSQAJHMTCL-RXMQYKEDSA-N 0 0 115.176 1.154 10 0 ADAERN C[C@H](Cc1ccco1)NO 131991280 343891920 /nfs/dbraw/zinc/89/19/20/343891920.db2.gz UIKKTSDMDDHMCS-ZCFIWIBFSA-N 0 0 141.170 1.189 10 0 ADAERN C[C@@H](Cc1ccco1)NO 131991079 343891922 /nfs/dbraw/zinc/89/19/22/343891922.db2.gz UIKKTSDMDDHMCS-LURJTMIESA-N 0 0 141.170 1.189 10 0 ADAERN CN1C(=O)C[C@H](NO)c2ccccc21 131967727 343891923 /nfs/dbraw/zinc/89/19/23/343891923.db2.gz LOVJJBKGKOCFKP-QMMMGPOBSA-N 0 0 192.218 1.073 10 0 ADAERN CCCCC[C@H](C)NO 131993474 343892125 /nfs/dbraw/zinc/89/21/25/343892125.db2.gz KTQPBZVXBSMPEK-ZETCQYMHSA-N 0 0 131.219 1.934 10 0 ADAERN CCCCC[C@@H](C)NO 131993260 343892152 /nfs/dbraw/zinc/89/21/52/343892152.db2.gz KTQPBZVXBSMPEK-SSDOTTSWSA-N 0 0 131.219 1.934 10 0 ADAERN C[C@H](NO)c1nccs1 132020075 343892167 /nfs/dbraw/zinc/89/21/67/343892167.db2.gz PPFVGISPXLMTFH-BYPYZUCNSA-N 0 0 144.199 1.183 10 0 ADAERN Cc1cc(F)ccc1CNO 132000760 343892182 /nfs/dbraw/zinc/89/21/82/343892182.db2.gz DIQVLHYYZZJQIT-UHFFFAOYSA-N 0 0 155.172 1.613 10 0 ADAERN C[C@@H](NO)c1nccs1 132020273 343892234 /nfs/dbraw/zinc/89/22/34/343892234.db2.gz PPFVGISPXLMTFH-SCSAIBSYSA-N 0 0 144.199 1.183 10 0 ADAERN CCn1c(C)cc(CNO)c1C 132005498 343892245 /nfs/dbraw/zinc/89/22/45/343892245.db2.gz RGBAVLZBSIZETD-UHFFFAOYSA-N 0 0 168.240 1.604 10 0 ADAERN COc1cc([C@@H](C)NO)ccc1O 132003629 343892248 /nfs/dbraw/zinc/89/22/48/343892248.db2.gz VPDLQSHJMNLTIE-ZCFIWIBFSA-N 0 0 183.207 1.441 10 0 ADAERN CC1(C)CSC[C@@H](NO)C1 132007673 343892277 /nfs/dbraw/zinc/89/22/77/343892277.db2.gz MWJTXNRLEUXXKR-LURJTMIESA-N 0 0 161.270 1.497 10 0 ADAERN CC1(C)CSC[C@H](NO)C1 132007863 343892300 /nfs/dbraw/zinc/89/23/00/343892300.db2.gz MWJTXNRLEUXXKR-ZCFIWIBFSA-N 0 0 161.270 1.497 10 0 ADAERN C[C@@H](NO)c1ccsc1 132002289 343892335 /nfs/dbraw/zinc/89/23/35/343892335.db2.gz HIILNKQDFUUBAF-RXMQYKEDSA-N 0 0 143.211 1.788 10 0 ADAERN C[C@H](NO)c1ccsc1 132002090 343892385 /nfs/dbraw/zinc/89/23/85/343892385.db2.gz HIILNKQDFUUBAF-YFKPBYRVSA-N 0 0 143.211 1.788 10 0 ADAERN COc1cc([C@H](C)NO)ccc1O 132003387 343892408 /nfs/dbraw/zinc/89/24/08/343892408.db2.gz VPDLQSHJMNLTIE-LURJTMIESA-N 0 0 183.207 1.441 10 0 ADAERN Cc1cc(C(=O)NC#N)c(F)cc1F 132032678 343892652 /nfs/dbraw/zinc/89/26/52/343892652.db2.gz LJQREEWSPPFCGO-UHFFFAOYSA-N 0 0 196.156 1.484 10 0 ADAERN COc1ccccc1[C@@H](C)NO 132011902 343892467 /nfs/dbraw/zinc/89/24/67/343892467.db2.gz VIOABSCLZBNUAT-SSDOTTSWSA-N 0 0 167.208 1.735 10 0 ADAERN COc1ccccc1[C@H](C)NO 132011701 343892503 /nfs/dbraw/zinc/89/25/03/343892503.db2.gz VIOABSCLZBNUAT-ZETCQYMHSA-N 0 0 167.208 1.735 10 0 ADAERN CC[C@@H]1CCCC[C@H]1NO 132046489 343892632 /nfs/dbraw/zinc/89/26/32/343892632.db2.gz HUMWRPWNRHYPPR-HTQZYQBOSA-N 0 0 143.230 1.934 10 0 ADAERN CCO[C@@H]1C[C@H](NO)C1(C)C 132033405 343892645 /nfs/dbraw/zinc/89/26/45/343892645.db2.gz VGKKJRYNSYYJEQ-NKWVEPMBSA-N 0 0 159.229 1.169 10 0 ADAERN ONC1CCCCCC1 132044792 343892648 /nfs/dbraw/zinc/89/26/48/343892648.db2.gz DWAKKADRVWTKTQ-UHFFFAOYSA-N 0 0 129.203 1.688 10 0 ADAERN Cc1nc([C@@H](C)NO)c(C)s1 132042575 343892650 /nfs/dbraw/zinc/89/26/50/343892650.db2.gz LQHHLYRGMMXVGG-SCSAIBSYSA-N 0 0 172.253 1.800 10 0 ADAERN COc1cccc(C2CC(NO)C2)c1 132031254 343892666 /nfs/dbraw/zinc/89/26/66/343892666.db2.gz NMLLUMVDFAJMIX-UHFFFAOYSA-N 0 0 193.246 1.920 10 0 ADAERN CC[C@H]1CCCC[C@H]1NO 132046705 343892677 /nfs/dbraw/zinc/89/26/77/343892677.db2.gz HUMWRPWNRHYPPR-JGVFFNPUSA-N 0 0 143.230 1.934 10 0 ADAERN COc1cccc([C@H](C)NO)c1 132046919 343892694 /nfs/dbraw/zinc/89/26/94/343892694.db2.gz ZSHGHNLXWQKUIJ-ZETCQYMHSA-N 0 0 167.208 1.735 10 0 ADAERN O=c1ccccn1CCCF 132029318 343892709 /nfs/dbraw/zinc/89/27/09/343892709.db2.gz ZKTAJHHJYAVLJX-UHFFFAOYSA-N 0 0 155.172 1.208 10 0 ADAERN ONC1CCN(c2ccccn2)CC1 132029510 343892717 /nfs/dbraw/zinc/89/27/17/343892717.db2.gz SINSHUQSOIOGOJ-UHFFFAOYSA-N 0 0 193.250 1.029 10 0 ADAERN CC[C@@H](NO)C1CC1 132034482 343892732 /nfs/dbraw/zinc/89/27/32/343892732.db2.gz LDLGVUFWHQJFOZ-ZCFIWIBFSA-N 0 0 115.176 1.154 10 0 ADAERN C[C@@H]1CC[C@@H](NO)C1 132021563 343892754 /nfs/dbraw/zinc/89/27/54/343892754.db2.gz BGTHIITYURNHSF-PHDIDXHHSA-N 0 0 115.176 1.154 10 0 ADAERN CC[C@H](NO)C1CC1 132034285 343892758 /nfs/dbraw/zinc/89/27/58/343892758.db2.gz LDLGVUFWHQJFOZ-LURJTMIESA-N 0 0 115.176 1.154 10 0 ADAERN C[C@H]1CC[C@@H](NO)C1 132021776 343892776 /nfs/dbraw/zinc/89/27/76/343892776.db2.gz BGTHIITYURNHSF-NTSWFWBYSA-N 0 0 115.176 1.154 10 0 ADAERN CCO[C@H]1C[C@@H](NO)C1(C)C 132034072 343892788 /nfs/dbraw/zinc/89/27/88/343892788.db2.gz VGKKJRYNSYYJEQ-RQJHMYQMSA-N 0 0 159.229 1.169 10 0 ADAERN C[C@@H]1CC[C@H](NO)C1 132021159 343892859 /nfs/dbraw/zinc/89/28/59/343892859.db2.gz BGTHIITYURNHSF-RITPCOANSA-N 0 0 115.176 1.154 10 0 ADAERN CC(=O)Nc1ccccc1CNO 132033209 343892877 /nfs/dbraw/zinc/89/28/77/343892877.db2.gz WIUNXQSTURUHPU-UHFFFAOYSA-N 0 0 180.207 1.124 10 0 ADAERN CC[C@H]1CCCC[C@@H]1NO 132046299 343892940 /nfs/dbraw/zinc/89/29/40/343892940.db2.gz HUMWRPWNRHYPPR-YUMQZZPRSA-N 0 0 143.230 1.934 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1NO 132046055 343892977 /nfs/dbraw/zinc/89/29/77/343892977.db2.gz HUMWRPWNRHYPPR-SFYZADRCSA-N 0 0 143.230 1.934 10 0 ADAERN CCO[C@H]1C[C@H](NO)C1(C)C 132033639 343893009 /nfs/dbraw/zinc/89/30/09/343893009.db2.gz VGKKJRYNSYYJEQ-BQBZGAKWSA-N 0 0 159.229 1.169 10 0 ADAERN COc1cccc([C@@H](C)NO)c1 132047113 343893010 /nfs/dbraw/zinc/89/30/10/343893010.db2.gz ZSHGHNLXWQKUIJ-SSDOTTSWSA-N 0 0 167.208 1.735 10 0 ADAERN Cc1cccc(C(=O)NC#N)c1F 132038559 343893036 /nfs/dbraw/zinc/89/30/36/343893036.db2.gz GCRFOMXJEGOZRD-UHFFFAOYSA-N 0 0 178.166 1.345 10 0 ADAERN CCO[C@@H]1C[C@@H](NO)C1(C)C 132033861 343893054 /nfs/dbraw/zinc/89/30/54/343893054.db2.gz VGKKJRYNSYYJEQ-RNFRBKRXSA-N 0 0 159.229 1.169 10 0 ADAERN C[C@H]1CC[C@H](NO)C1 132021361 343893055 /nfs/dbraw/zinc/89/30/55/343893055.db2.gz BGTHIITYURNHSF-WDSKDSINSA-N 0 0 115.176 1.154 10 0 ADAERN Cc1nc([C@H](C)NO)c(C)s1 132042780 343893059 /nfs/dbraw/zinc/89/30/59/343893059.db2.gz LQHHLYRGMMXVGG-BYPYZUCNSA-N 0 0 172.253 1.800 10 0 ADAERN ONCc1cc(F)c(F)c(F)c1 132024722 343893061 /nfs/dbraw/zinc/89/30/61/343893061.db2.gz FAGRVXDOAIRVSY-UHFFFAOYSA-N 0 0 177.125 1.583 10 0 ADAERN C[C@H](NO)c1cccc(O)c1 132063300 343893109 /nfs/dbraw/zinc/89/31/09/343893109.db2.gz IYZSBRZDKDUHOW-LURJTMIESA-N 0 0 153.181 1.432 10 0 ADAERN CC[C@H]1CCN[C@H](c2nc(C)no2)C1 132050046 343893112 /nfs/dbraw/zinc/89/31/12/343893112.db2.gz RTEMKFUPVHZVDV-IUCAKERBSA-N 0 0 195.266 1.829 10 0 ADAERN C[C@@H]1C[C@@H]1c1ccc(CNO)o1 132058761 343893125 /nfs/dbraw/zinc/89/31/25/343893125.db2.gz JZJYIUCJUXGZGS-SVRRBLITSA-N 0 0 167.208 1.882 10 0 ADAERN ONC[C@H]1CC=CCC1 132049696 343893144 /nfs/dbraw/zinc/89/31/44/343893144.db2.gz QXIJPYSCFOIYEP-ZETCQYMHSA-N 0 0 127.187 1.322 10 0 ADAERN Cc1nccn1Cc1ccoc1 132070311 343893148 /nfs/dbraw/zinc/89/31/48/343893148.db2.gz YCSDVPNWYLIZJJ-UHFFFAOYSA-N 0 0 162.192 1.833 10 0 ADAERN c1cnn(Cc2ccoc2)c1 132069252 343893160 /nfs/dbraw/zinc/89/31/60/343893160.db2.gz XLPJIDBVCZUWSK-UHFFFAOYSA-N 0 0 148.165 1.524 10 0 ADAERN CC1(C)CCC[C@H]1NO 132070610 343893186 /nfs/dbraw/zinc/89/31/86/343893186.db2.gz UJUCRXSKWRDMQL-ZCFIWIBFSA-N 0 0 129.203 1.544 10 0 ADAERN C[C@H](NO)c1cccc(F)c1 132060667 343893190 /nfs/dbraw/zinc/89/31/90/343893190.db2.gz RHWSWAVEDUFGEC-LURJTMIESA-N 0 0 155.172 1.866 10 0 ADAERN CC1(C)CCC[C@@H](NO)C1 132051787 343893202 /nfs/dbraw/zinc/89/32/02/343893202.db2.gz PJYBLZJSBXZNJG-SSDOTTSWSA-N 0 0 143.230 1.934 10 0 ADAERN CC[C@@H]1CCN[C@H](c2nc(C)no2)C1 132049818 343893221 /nfs/dbraw/zinc/89/32/21/343893221.db2.gz RTEMKFUPVHZVDV-BDAKNGLRSA-N 0 0 195.266 1.829 10 0 ADAERN COc1ccc2c(c1)C[C@H](NO)CC2 132073532 343893241 /nfs/dbraw/zinc/89/32/41/343893241.db2.gz XPGXMQFNYQXMMN-SNVBAGLBSA-N 0 0 193.246 1.531 10 0 ADAERN C[C@@H]1CCC[C@@H](NO)CC1 132071592 343893254 /nfs/dbraw/zinc/89/32/54/343893254.db2.gz CTCLYBKYFMXMMS-HTQZYQBOSA-N 0 0 143.230 1.934 10 0 ADAERN C[C@H]1CCC[C@@H](NO)CC1 132071799 343893299 /nfs/dbraw/zinc/89/32/99/343893299.db2.gz CTCLYBKYFMXMMS-JGVFFNPUSA-N 0 0 143.230 1.934 10 0 ADAERN C[C@@H](NO)c1cccc(O)c1 132063556 343893314 /nfs/dbraw/zinc/89/33/14/343893314.db2.gz IYZSBRZDKDUHOW-ZCFIWIBFSA-N 0 0 153.181 1.432 10 0 ADAERN ON[C@@H]1Cc2ccc(Cl)cc2C1 132072438 343893336 /nfs/dbraw/zinc/89/33/36/343893336.db2.gz KCDFMHPPRXXUSB-SECBINFHSA-N 0 0 183.638 1.786 10 0 ADAERN CCO[C@H]1C[C@H](NO)C12CCC2 132074098 343893357 /nfs/dbraw/zinc/89/33/57/343893357.db2.gz HCXKKBSNTFOKKH-YUMQZZPRSA-N 0 0 171.240 1.313 10 0 ADAERN c1cn(Cc2ccoc2)cn1 132070095 343893361 /nfs/dbraw/zinc/89/33/61/343893361.db2.gz LFABUFGIOBQYKO-UHFFFAOYSA-N 0 0 148.165 1.524 10 0 ADAERN C[C@H]1C[C@@H]1c1ccc(CNO)o1 132058994 343893380 /nfs/dbraw/zinc/89/33/80/343893380.db2.gz JZJYIUCJUXGZGS-XPUUQOCRSA-N 0 0 167.208 1.882 10 0 ADAERN ON[C@H]1Cc2ccc(Cl)cc2C1 132072651 343893393 /nfs/dbraw/zinc/89/33/93/343893393.db2.gz KCDFMHPPRXXUSB-VIFPVBQESA-N 0 0 183.638 1.786 10 0 ADAERN Cc1ccc(-c2n[nH]cc2CNO)o1 132055848 343893399 /nfs/dbraw/zinc/89/33/99/343893399.db2.gz NSHMVOKORLJHFP-UHFFFAOYSA-N 0 0 193.206 1.457 10 0 ADAERN C[C@@H]1CCC[C@H](NO)CC1 132071225 343893403 /nfs/dbraw/zinc/89/34/03/343893403.db2.gz CTCLYBKYFMXMMS-SFYZADRCSA-N 0 0 143.230 1.934 10 0 ADAERN ONCc1ccc(F)c(Cl)c1 132053490 343893435 /nfs/dbraw/zinc/89/34/35/343893435.db2.gz CTNYVMOANRSLAN-UHFFFAOYSA-N 0 0 175.590 1.958 10 0 ADAERN CCO[C@@H]1C[C@H](NO)C12CCC2 132073905 343893444 /nfs/dbraw/zinc/89/34/44/343893444.db2.gz HCXKKBSNTFOKKH-JGVFFNPUSA-N 0 0 171.240 1.313 10 0 ADAERN CCO[C@@H]1C[C@@H](NO)C12CCC2 132074233 343893461 /nfs/dbraw/zinc/89/34/61/343893461.db2.gz HCXKKBSNTFOKKH-HTQZYQBOSA-N 0 0 171.240 1.313 10 0 ADAERN 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/nfs/dbraw/zinc/89/49/94/343894994.db2.gz DCHCSGYFANPTRK-YFKPBYRVSA-N 0 0 158.226 1.491 10 0 ADAERN ON[C@H]1CSCc2ccccc21 132180179 343895047 /nfs/dbraw/zinc/89/50/47/343895047.db2.gz VARZVOCGEQMKMW-VIFPVBQESA-N 0 0 181.260 1.953 10 0 ADAERN NNc1cc2cc(F)ccc2o1 132157357 343895067 /nfs/dbraw/zinc/89/50/67/343895067.db2.gz QQVWQNSSJOZBOI-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN ON[C@H]1CCCc2cc(O)ccc21 132170949 343895083 /nfs/dbraw/zinc/89/50/83/343895083.db2.gz CTWWNVKQUPAOAY-JTQLQIEISA-N 0 0 179.219 1.748 10 0 ADAERN ONCc1cc(Cl)cs1 132164018 343895096 /nfs/dbraw/zinc/89/50/96/343895096.db2.gz XEAACIVXAYTZBQ-UHFFFAOYSA-N 0 0 163.629 1.880 10 0 ADAERN NNc1cc2cccc(F)c2o1 132158471 343895115 /nfs/dbraw/zinc/89/51/15/343895115.db2.gz VVRNGZGUHIUNPY-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN ONCc1ccc2ncccc2c1 132173584 343895144 /nfs/dbraw/zinc/89/51/44/343895144.db2.gz YFIOFUIAEPDSOQ-UHFFFAOYSA-N 0 0 174.203 1.714 10 0 ADAERN Cc1cc(CNO)cc(C)c1O 132176358 343895152 /nfs/dbraw/zinc/89/51/52/343895152.db2.gz XMGLXTHWPLNECW-UHFFFAOYSA-N 0 0 167.208 1.488 10 0 ADAERN NNc1cc2ccccc2o1 132157149 343895154 /nfs/dbraw/zinc/89/51/54/343895154.db2.gz KUGGFVGRCGSVSQ-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN O=c1[nH]c2ccccc2cc1CNO 132171341 343895166 /nfs/dbraw/zinc/89/51/66/343895166.db2.gz UXMWZAWTYVIUEG-UHFFFAOYSA-N 0 0 190.202 1.419 10 0 ADAERN ONCc1ccc2c(c1)OCCCO2 132155256 343895168 /nfs/dbraw/zinc/89/51/68/343895168.db2.gz QZLJWYHSGDALEB-UHFFFAOYSA-N 0 0 195.218 1.327 10 0 ADAERN Cc1cc(C(=O)NC#N)ccc1Cl 132173007 343895214 /nfs/dbraw/zinc/89/52/14/343895214.db2.gz KLLCKQFJKXTGOL-UHFFFAOYSA-N 0 0 194.621 1.859 10 0 ADAERN ONCC1CCCCCC1 132159393 343895225 /nfs/dbraw/zinc/89/52/25/343895225.db2.gz PEMASRHBTUAFLW-UHFFFAOYSA-N 0 0 143.230 1.936 10 0 ADAERN C[C@H]1CN(C)c2ncnc(Cl)c2O1 132202284 343895579 /nfs/dbraw/zinc/89/55/79/343895579.db2.gz PCCRJTMSKJVWDC-YFKPBYRVSA-N 0 0 199.641 1.347 10 0 ADAERN ON[C@H]1CCc2c(O)cccc21 132184387 343895524 /nfs/dbraw/zinc/89/55/24/343895524.db2.gz SZAIKKLZJSUULE-QMMMGPOBSA-N 0 0 165.192 1.358 10 0 ADAERN CC[C@@H]1CNc2ncnc(Cl)c2O1 132211861 343895546 /nfs/dbraw/zinc/89/55/46/343895546.db2.gz LLRBOJOSZVXYQT-RXMQYKEDSA-N 0 0 199.641 1.713 10 0 ADAERN C[C@H]1COc2c(Cl)ncnc2N1C 132199750 343895573 /nfs/dbraw/zinc/89/55/73/343895573.db2.gz MGLNDDLALCDEKF-YFKPBYRVSA-N 0 0 199.641 1.347 10 0 ADAERN ONCc1cnc2ccccc2n1 132185221 343895652 /nfs/dbraw/zinc/89/56/52/343895652.db2.gz GKIKOXBITUOAJB-UHFFFAOYSA-N 0 0 175.191 1.109 10 0 ADAERN CC[C@@H]1COc2c(Cl)ncnc2N1 132211028 343895655 /nfs/dbraw/zinc/89/56/55/343895655.db2.gz QYLLNIKXQLUPMA-RXMQYKEDSA-N 0 0 199.641 1.713 10 0 ADAERN C[C@@H]1COc2c(Cl)ncnc2N1C 132199550 343895661 /nfs/dbraw/zinc/89/56/61/343895661.db2.gz MGLNDDLALCDEKF-RXMQYKEDSA-N 0 0 199.641 1.347 10 0 ADAERN C[C@@H]1Nc2ncnc(Cl)c2O[C@H]1C 132207514 343895699 /nfs/dbraw/zinc/89/56/99/343895699.db2.gz WTIXLAGTNFAVAD-WHFBIAKZSA-N 0 0 199.641 1.711 10 0 ADAERN C[C@@H]1Oc2c(Cl)ncnc2N[C@@H]1C 132207319 343895725 /nfs/dbraw/zinc/89/57/25/343895725.db2.gz WTIXLAGTNFAVAD-UHNVWZDZSA-N 0 0 199.641 1.711 10 0 ADAERN C[C@H](CCO)Nc1ccc(F)cc1N 132300538 343895977 /nfs/dbraw/zinc/89/59/77/343895977.db2.gz RHJJTYDVGLCFRA-SSDOTTSWSA-N 0 0 198.241 1.591 10 0 ADAERN Cc1cccc(-c2nc(N)no2)c1F 132284527 343896012 /nfs/dbraw/zinc/89/60/12/343896012.db2.gz UVNDPJFZTDDOKT-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cc1ccc(N)c(N[C@H](C)CCO)c1 132302128 343896135 /nfs/dbraw/zinc/89/61/35/343896135.db2.gz XDNSRADMMOEZQE-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1ccc(N[C@@H](C)CCO)c(N)c1 132301167 343896258 /nfs/dbraw/zinc/89/62/58/343896258.db2.gz VANVEOUBDUNRKU-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN Cc1ccc(N)c(N[C@@H](C)CCO)c1 132301936 343896368 /nfs/dbraw/zinc/89/63/68/343896368.db2.gz XDNSRADMMOEZQE-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN COC(=O)[C@@H]1CCCC[N@@H+]1CC1CC1 132231550 343896390 /nfs/dbraw/zinc/89/63/90/343896390.db2.gz IODYVZRVIHBBKO-JTQLQIEISA-N 0 0 197.278 1.424 10 0 ADAERN Cc1ccc(N[C@H](C)CCO)c(N)c1 132301353 343896395 /nfs/dbraw/zinc/89/63/95/343896395.db2.gz VANVEOUBDUNRKU-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN C[C@@H](CCO)Nc1ccc(F)cc1N 132300344 343896406 /nfs/dbraw/zinc/89/64/06/343896406.db2.gz RHJJTYDVGLCFRA-ZETCQYMHSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@H](CCO)Nc1cccc(N)c1 132330876 343896597 /nfs/dbraw/zinc/89/65/97/343896597.db2.gz LDIRBITYFGMWHI-MRVPVSSYSA-N 0 0 180.251 1.452 10 0 ADAERN OCc1ccc(N[C@@H]2CCOC2)cc1 132311571 343896602 /nfs/dbraw/zinc/89/66/02/343896602.db2.gz NUGOMMQYLIRCLQ-LLVKDONJSA-N 0 0 193.246 1.380 10 0 ADAERN COC1([C@H](O)c2cccnc2)CCC1 132336095 343896669 /nfs/dbraw/zinc/89/66/69/343896669.db2.gz FIZLVFIEMXVZIF-SNVBAGLBSA-N 0 0 193.246 1.684 10 0 ADAERN C[C@H](CN1CN[C@H](C)C1=O)C(C)(C)C 132318398 343896721 /nfs/dbraw/zinc/89/67/21/343896721.db2.gz GXJQAEJUYQABOA-RKDXNWHRSA-N 0 0 198.310 1.446 10 0 ADAERN Cc1ccc(N)cc1N[C@@H](C)CCO 132318137 343896802 /nfs/dbraw/zinc/89/68/02/343896802.db2.gz JOSAPKVYDIMYFS-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN COC1([C@@H](O)c2cccnc2)CCC1 132336295 343896814 /nfs/dbraw/zinc/89/68/14/343896814.db2.gz FIZLVFIEMXVZIF-JTQLQIEISA-N 0 0 193.246 1.684 10 0 ADAERN Cc1ccc(N)cc1N[C@H](C)CCO 132318329 343896838 /nfs/dbraw/zinc/89/68/38/343896838.db2.gz JOSAPKVYDIMYFS-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN C[C@@H](CCO)Nc1cccc(N)c1 132330693 343896873 /nfs/dbraw/zinc/89/68/73/343896873.db2.gz LDIRBITYFGMWHI-QMMMGPOBSA-N 0 0 180.251 1.452 10 0 ADAERN C[C@@H]1NCN(C[C@@H](C)C(C)(C)C)C1=O 132318597 343896876 /nfs/dbraw/zinc/89/68/76/343896876.db2.gz GXJQAEJUYQABOA-BDAKNGLRSA-N 0 0 198.310 1.446 10 0 ADAERN Cc1cc(N)ccc1N[C@H](C)CCO 132334089 343896884 /nfs/dbraw/zinc/89/68/84/343896884.db2.gz JFMLBHMEULFGPJ-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN COC1([C@@H](O)c2cnn(C)c2)CCC1 132317676 343896901 /nfs/dbraw/zinc/89/69/01/343896901.db2.gz SOZDPCSOXZGETI-VIFPVBQESA-N 0 0 196.250 1.023 10 0 ADAERN C[C@H]1[C@@H](C)SCCN1C(N)=S 132331267 343896904 /nfs/dbraw/zinc/89/69/04/343896904.db2.gz YBFURRBEIWAYEA-NTSWFWBYSA-N 0 0 190.337 1.056 10 0 ADAERN C[C@H]1NCN(C[C@H](C)C(C)(C)C)C1=O 132318765 343896919 /nfs/dbraw/zinc/89/69/19/343896919.db2.gz GXJQAEJUYQABOA-DTWKUNHWSA-N 0 0 198.310 1.446 10 0 ADAERN Cc1cc(N[C@H](C)CCO)ccc1N 132332432 343896929 /nfs/dbraw/zinc/89/69/29/343896929.db2.gz WBGMRIHQXQLLHB-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN C[C@H]1SCCN(C(N)=S)[C@@H]1C 132331027 343896961 /nfs/dbraw/zinc/89/69/61/343896961.db2.gz YBFURRBEIWAYEA-PHDIDXHHSA-N 0 0 190.337 1.056 10 0 ADAERN C[C@@H]1NCN(C[C@H](C)C(C)(C)C)C1=O 132318987 343896967 /nfs/dbraw/zinc/89/69/67/343896967.db2.gz GXJQAEJUYQABOA-IUCAKERBSA-N 0 0 198.310 1.446 10 0 ADAERN COC1([C@H](O)c2cnn(C)c2)CCC1 132317875 343897013 /nfs/dbraw/zinc/89/70/13/343897013.db2.gz SOZDPCSOXZGETI-SECBINFHSA-N 0 0 196.250 1.023 10 0 ADAERN C[C@@H]1SCCN(C(N)=S)[C@H]1C 132330818 343897022 /nfs/dbraw/zinc/89/70/22/343897022.db2.gz YBFURRBEIWAYEA-WDSKDSINSA-N 0 0 190.337 1.056 10 0 ADAERN COC1([C@@H](O)c2ccoc2)CCC1 132364348 343897250 /nfs/dbraw/zinc/89/72/50/343897250.db2.gz HODBXKNIMIVOMQ-VIFPVBQESA-N 0 0 182.219 1.882 10 0 ADAERN CC[C@H](O)C1(OC)CCC1 132352550 343897328 /nfs/dbraw/zinc/89/73/28/343897328.db2.gz SAEFYDWVWIWCBP-ZETCQYMHSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1ccc(N[C@@H](C)CCO)cc1N 132355152 343897345 /nfs/dbraw/zinc/89/73/45/343897345.db2.gz DDVSGJLZYIQLFU-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CC[C@@H](O)C1(OC)CCC1 132352740 343897505 /nfs/dbraw/zinc/89/75/05/343897505.db2.gz SAEFYDWVWIWCBP-SSDOTTSWSA-N 0 0 144.214 1.326 10 0 ADAERN N#CNc1cccc(CCCO)c1 132360926 343897404 /nfs/dbraw/zinc/89/74/04/343897404.db2.gz MICCXWQAUGURLN-UHFFFAOYSA-N 0 0 176.219 1.504 10 0 ADAERN N#CNc1ccc(CO)cc1 132361137 343897417 /nfs/dbraw/zinc/89/74/17/343897417.db2.gz BWBRIIDTPMRECB-UHFFFAOYSA-N 0 0 148.165 1.072 10 0 ADAERN COC1([C@@H](O)c2ccnn2C)CCC1 132366047 343897426 /nfs/dbraw/zinc/89/74/26/343897426.db2.gz UYPAJFHGYUQFCH-VIFPVBQESA-N 0 0 196.250 1.023 10 0 ADAERN COC1([C@H](O)c2ccoc2)CCC1 132364178 343897439 /nfs/dbraw/zinc/89/74/39/343897439.db2.gz HODBXKNIMIVOMQ-SECBINFHSA-N 0 0 182.219 1.882 10 0 ADAERN CC(C)c1c[nH]c(=NN)s1 132384129 343897456 /nfs/dbraw/zinc/89/74/56/343897456.db2.gz BWFXSENCSINKIE-UHFFFAOYSA-N 0 0 157.242 1.552 10 0 ADAERN C[C@@H](CCO)Nc1ccc(N)cc1F 132356380 343897467 /nfs/dbraw/zinc/89/74/67/343897467.db2.gz ACEHNJIIZNXYDK-ZETCQYMHSA-N 0 0 198.241 1.591 10 0 ADAERN O=CNc1cccc(CCCO)c1 132364286 343897471 /nfs/dbraw/zinc/89/74/71/343897471.db2.gz BSIFUZRZNKKHDA-UHFFFAOYSA-N 0 0 179.219 1.180 10 0 ADAERN C[C@H](CCO)Nc1ccc(N)cc1F 132356532 343897508 /nfs/dbraw/zinc/89/75/08/343897508.db2.gz ACEHNJIIZNXYDK-SSDOTTSWSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@H]1NCC(=O)N1C[C@H](C)C(C)(C)C 132392825 343897704 /nfs/dbraw/zinc/89/77/04/343897704.db2.gz ZFWNXMSLZIMGII-IUCAKERBSA-N 0 0 198.310 1.446 10 0 ADAERN C[C@@H]1NCC(=O)N1C[C@H](C)C(C)(C)C 132392619 343897737 /nfs/dbraw/zinc/89/77/37/343897737.db2.gz ZFWNXMSLZIMGII-DTWKUNHWSA-N 0 0 198.310 1.446 10 0 ADAERN C[C@H]1[C@@H](C)SCCN1C#N 132396327 343897758 /nfs/dbraw/zinc/89/77/58/343897758.db2.gz RFCGTCMHBMTIIA-NKWVEPMBSA-N 0 0 156.254 1.293 10 0 ADAERN C[C@@H]1SCCN(C#N)[C@H]1C 132395912 343897763 /nfs/dbraw/zinc/89/77/63/343897763.db2.gz RFCGTCMHBMTIIA-BQBZGAKWSA-N 0 0 156.254 1.293 10 0 ADAERN C[C@H](CN1C(=O)CN[C@H]1C)C(C)(C)C 132392212 343897796 /nfs/dbraw/zinc/89/77/96/343897796.db2.gz ZFWNXMSLZIMGII-RKDXNWHRSA-N 0 0 198.310 1.446 10 0 ADAERN C[C@H]1SCCN(C#N)[C@@H]1C 132396120 343897855 /nfs/dbraw/zinc/89/78/55/343897855.db2.gz RFCGTCMHBMTIIA-RNFRBKRXSA-N 0 0 156.254 1.293 10 0 ADAERN Cc1cc(N)c(Cl)cc1NC(N)=O 132399808 343897903 /nfs/dbraw/zinc/89/79/03/343897903.db2.gz MTKLTUXCAITRCB-UHFFFAOYSA-N 0 0 199.641 1.721 10 0 ADAERN C[C@@H]1SCCN(C#N)[C@@H]1C 132395709 343897944 /nfs/dbraw/zinc/89/79/44/343897944.db2.gz RFCGTCMHBMTIIA-RQJHMYQMSA-N 0 0 156.254 1.293 10 0 ADAERN C[C@H]1NCC(=O)N1C[C@@H](C)C(C)(C)C 132392403 343898020 /nfs/dbraw/zinc/89/80/20/343898020.db2.gz ZFWNXMSLZIMGII-BDAKNGLRSA-N 0 0 198.310 1.446 10 0 ADAERN Nc1cnc(NC2CC=CC2)nc1 132429950 343898232 /nfs/dbraw/zinc/89/82/32/343898232.db2.gz MCOKGFHADNIEOW-UHFFFAOYSA-N 0 0 176.223 1.189 10 0 ADAERN C[C@@H](CNc1ncncc1N)C1CC1 132420764 343898266 /nfs/dbraw/zinc/89/82/66/343898266.db2.gz PXUMBPAKKLNTFH-ZETCQYMHSA-N 0 0 192.266 1.517 10 0 ADAERN Nc1cncnc1NC1CC=CC1 132443664 343898335 /nfs/dbraw/zinc/89/83/35/343898335.db2.gz FLNNAQKZCZHYNW-UHFFFAOYSA-N 0 0 176.223 1.189 10 0 ADAERN C[C@]1(Cc2ccccc2)CCC(=O)N1 132412326 343898352 /nfs/dbraw/zinc/89/83/52/343898352.db2.gz PWFSYSAWJJTJTP-GFCCVEGCSA-N 0 0 189.258 1.898 10 0 ADAERN Nc1ccc(NC2CC=CC2)nc1 132432360 343898378 /nfs/dbraw/zinc/89/83/78/343898378.db2.gz DDUZVFVBIRNCQI-UHFFFAOYSA-N 0 0 175.235 1.794 10 0 ADAERN C[C@H](CNc1ncncc1N)C1CC1 132420932 343898425 /nfs/dbraw/zinc/89/84/25/343898425.db2.gz PXUMBPAKKLNTFH-SSDOTTSWSA-N 0 0 192.266 1.517 10 0 ADAERN Nc1ccc(NC2CC=CC2)cn1 132432812 343898511 /nfs/dbraw/zinc/89/85/11/343898511.db2.gz QULUMUQNBYDVGR-UHFFFAOYSA-N 0 0 175.235 1.794 10 0 ADAERN C[C@@]1(Cc2ccccc2)CCC(=O)N1 132412506 343898618 /nfs/dbraw/zinc/89/86/18/343898618.db2.gz PWFSYSAWJJTJTP-LBPRGKRZSA-N 0 0 189.258 1.898 10 0 ADAERN CC[C@H]1NC2(CCCC2)C(=O)N1C 132476509 343898717 /nfs/dbraw/zinc/89/87/17/343898717.db2.gz WFZMYMXGRBCZAN-QMMMGPOBSA-N 0 0 182.267 1.097 10 0 ADAERN CC(C)C[C@@H]1N[C@@H](C(C)C)C(=O)N1C 132489156 343898843 /nfs/dbraw/zinc/89/88/43/343898843.db2.gz PZGNQNBJMPKLFQ-ZJUUUORDSA-N 0 0 198.310 1.445 10 0 ADAERN CC(C)C[C@H]1N[C@H](C(C)C)C(=O)N1C 132488952 343899010 /nfs/dbraw/zinc/89/90/10/343899010.db2.gz PZGNQNBJMPKLFQ-VHSXEESVSA-N 0 0 198.310 1.445 10 0 ADAERN CC(C)C[C@H]1N[C@@H](C(C)C)C(=O)N1C 132489356 343898876 /nfs/dbraw/zinc/89/88/76/343898876.db2.gz PZGNQNBJMPKLFQ-UWVGGRQHSA-N 0 0 198.310 1.445 10 0 ADAERN CC[C@@H]1NC2(CCCC2)C(=O)N1C 132476280 343898885 /nfs/dbraw/zinc/89/88/85/343898885.db2.gz WFZMYMXGRBCZAN-MRVPVSSYSA-N 0 0 182.267 1.097 10 0 ADAERN Nc1ncccc1NC1CC=CC1 132449157 343898977 /nfs/dbraw/zinc/89/89/77/343898977.db2.gz CKZIZCSDKAHPQI-UHFFFAOYSA-N 0 0 175.235 1.794 10 0 ADAERN CC(C)C[C@@H]1N[C@H](C(C)C)C(=O)N1C 132488757 343898995 /nfs/dbraw/zinc/89/89/95/343898995.db2.gz PZGNQNBJMPKLFQ-NXEZZACHSA-N 0 0 198.310 1.445 10 0 ADAERN CC[C@H](C)[C@H]1N[C@@H](C(C)C)N(C)C1=O 132471646 343899022 /nfs/dbraw/zinc/89/90/22/343899022.db2.gz CLNZMKAHLIMGEA-IVZWLZJFSA-N 0 0 198.310 1.445 10 0 ADAERN CCc1cc(CC)n(CC(=O)OC)n1 132455455 343899056 /nfs/dbraw/zinc/89/90/56/343899056.db2.gz HGADQXNCRUVUHL-UHFFFAOYSA-N 0 0 196.250 1.181 10 0 ADAERN CC[C@H](C)[C@@H]1N[C@@H](C(C)C)N(C)C1=O 132472049 343899077 /nfs/dbraw/zinc/89/90/77/343899077.db2.gz CLNZMKAHLIMGEA-LPEHRKFASA-N 0 0 198.310 1.445 10 0 ADAERN CC(C)[N@H+](C)Cc1ccc(O)cn1 132482632 343899081 /nfs/dbraw/zinc/89/90/81/343899081.db2.gz IMQDWICHRYFHPK-UHFFFAOYSA-N 0 0 180.251 1.627 10 0 ADAERN C[NH+](C)Cc1cc(F)c([O-])c(F)c1 132501912 343899420 /nfs/dbraw/zinc/89/94/20/343899420.db2.gz ZYVKWTPKNAYOJG-UHFFFAOYSA-N 0 0 187.189 1.732 10 0 ADAERN Cc1c(-c2ccnnc2)noc1N 132502637 343899417 /nfs/dbraw/zinc/89/94/17/343899417.db2.gz XENWFSMKDUGENW-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CCc1c(-c2ccnnc2)noc1N 132503683 343899483 /nfs/dbraw/zinc/89/94/83/343899483.db2.gz MHRVFAWQKIQBKE-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CC[C@@]1(C)N[C@@H](CC(C)C)N(C)C1=O 132502531 343899498 /nfs/dbraw/zinc/89/94/98/343899498.db2.gz ZYAKRZVVMIRRLU-MWLCHTKSSA-N 0 0 198.310 1.589 10 0 ADAERN CC[C@@]1(C)N[C@H](CC(C)C)N(C)C1=O 132502927 343899510 /nfs/dbraw/zinc/89/95/10/343899510.db2.gz ZYAKRZVVMIRRLU-GXSJLCMTSA-N 0 0 198.310 1.589 10 0 ADAERN C[C@H](O)c1nc2c(F)cc(F)cc2[nH]1 132523477 343899515 /nfs/dbraw/zinc/89/95/15/343899515.db2.gz LISSNACWKLRZKI-BYPYZUCNSA-N 0 0 198.172 1.894 10 0 ADAERN CC[C@]1(C)N[C@H](CC(C)C)N(C)C1=O 132503136 343899564 /nfs/dbraw/zinc/89/95/64/343899564.db2.gz ZYAKRZVVMIRRLU-ONGXEEELSA-N 0 0 198.310 1.589 10 0 ADAERN CC(C)c1nc(-c2ccnnc2)n[nH]1 132512391 343899573 /nfs/dbraw/zinc/89/95/73/343899573.db2.gz ZLVVDFIABMCJLG-UHFFFAOYSA-N 0 0 189.222 1.385 10 0 ADAERN c1cc(-c2n[nH]c(C3CC3)n2)cnn1 132513274 343899758 /nfs/dbraw/zinc/89/97/58/343899758.db2.gz DSVQOTQMXCESBJ-UHFFFAOYSA-N 0 0 187.206 1.139 10 0 ADAERN Cc1cc(-c2n[nH]c(C)n2)c(C)nn1 132511342 343899803 /nfs/dbraw/zinc/89/98/03/343899803.db2.gz AQPCNHBTLYHBEK-UHFFFAOYSA-N 0 0 189.222 1.187 10 0 ADAERN CC(=O)[C@]1(C)CCCS1 132530360 343900101 /nfs/dbraw/zinc/90/01/01/343900101.db2.gz XEBCPEQNFLBQDM-ZETCQYMHSA-N 0 0 144.239 1.861 10 0 ADAERN CC[C@@H]1N[C@@H](C2CCCC2)N(C)C1=O 132552013 343900120 /nfs/dbraw/zinc/90/01/20/343900120.db2.gz VWOQTZKXOFWYKJ-VHSXEESVSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@H]1N[C@H](c2ccccc2)N(C)C1=O 132537865 343900178 /nfs/dbraw/zinc/90/01/78/343900178.db2.gz HNUGCBBLCKTAFX-SCZZXKLOSA-N 0 0 190.246 1.135 10 0 ADAERN C[C@@H]1N[C@@H](c2ccccc2)N(C)C1=O 132537682 343900213 /nfs/dbraw/zinc/90/02/13/343900213.db2.gz HNUGCBBLCKTAFX-WCBMZHEXSA-N 0 0 190.246 1.135 10 0 ADAERN C=Cc1nc(-c2ncc(C)cn2)no1 132551420 343900264 /nfs/dbraw/zinc/90/02/64/343900264.db2.gz AUQPDKJFEDTAIJ-UHFFFAOYSA-N 0 0 188.190 1.478 10 0 ADAERN C[C@H]1N[C@@H](c2ccccc2)N(C)C1=O 132537499 343900301 /nfs/dbraw/zinc/90/03/01/343900301.db2.gz HNUGCBBLCKTAFX-PSASIEDQSA-N 0 0 190.246 1.135 10 0 ADAERN CC[C@H]1N[C@@H](C2CCCC2)N(C)C1=O 132551841 343900323 /nfs/dbraw/zinc/90/03/23/343900323.db2.gz VWOQTZKXOFWYKJ-NXEZZACHSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1N[C@H](c2ccccc2)N(C)C1=O 132538040 343900354 /nfs/dbraw/zinc/90/03/54/343900354.db2.gz HNUGCBBLCKTAFX-WPRPVWTQSA-N 0 0 190.246 1.135 10 0 ADAERN CC[C@H]1N[C@H](C2CCCC2)N(C)C1=O 132552201 343900376 /nfs/dbraw/zinc/90/03/76/343900376.db2.gz VWOQTZKXOFWYKJ-ZJUUUORDSA-N 0 0 196.294 1.343 10 0 ADAERN CCc1nn(C)c(CC)c1C(C)=O 132565677 343900649 /nfs/dbraw/zinc/90/06/49/343900649.db2.gz SKHFHFALVDHROR-UHFFFAOYSA-N 0 0 180.251 1.748 10 0 ADAERN CC[C@@H]1N[C@H](C2CCCC2)N(C)C1=O 132552422 343900653 /nfs/dbraw/zinc/90/06/53/343900653.db2.gz VWOQTZKXOFWYKJ-UWVGGRQHSA-N 0 0 196.294 1.343 10 0 ADAERN Cc1cnc(C(=O)C(C)C)nc1 132574783 343900687 /nfs/dbraw/zinc/90/06/87/343900687.db2.gz AJTKZFFTCJFDBA-UHFFFAOYSA-N 0 0 164.208 1.624 10 0 ADAERN CC(=O)CN1CCS[C@@H](C)[C@H]1C 132583109 343900695 /nfs/dbraw/zinc/90/06/95/343900695.db2.gz CBHSFSUCAGYSKT-BDAKNGLRSA-N 0 0 187.308 1.401 10 0 ADAERN CC(=O)CN1CCS[C@@H](C)[C@@H]1C 132583331 343900709 /nfs/dbraw/zinc/90/07/09/343900709.db2.gz CBHSFSUCAGYSKT-IUCAKERBSA-N 0 0 187.308 1.401 10 0 ADAERN CC(C)C[C@@H]1CCCCNC1=O 132578757 343900715 /nfs/dbraw/zinc/90/07/15/343900715.db2.gz GVFUZCBYWQWFJH-VIFPVBQESA-N 0 0 169.268 1.949 10 0 ADAERN CCC[C@@H]1N[C@@H](C(C)C)C(=O)N1C 132566245 343900733 /nfs/dbraw/zinc/90/07/33/343900733.db2.gz DVMMXPHMOPEGGZ-BDAKNGLRSA-N 0 0 184.283 1.199 10 0 ADAERN CCc1n[nH]c(CC)c1C=O 132562754 343900783 /nfs/dbraw/zinc/90/07/83/343900783.db2.gz NPBNAJIXLSGWDY-UHFFFAOYSA-N 0 0 152.197 1.347 10 0 ADAERN Cc1cnc(C(=O)c2ccoc2)nc1 132566216 343900799 /nfs/dbraw/zinc/90/07/99/343900799.db2.gz HBNCNPMDDQNQPZ-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN CC[C@H]1N[C@@H](CC(C)C)C(=O)N1C 132600709 343901343 /nfs/dbraw/zinc/90/13/43/343901343.db2.gz UCXXPPGHHVSDED-IUCAKERBSA-N 0 0 184.283 1.199 10 0 ADAERN CCc1n[nH]c(CC)c1C(C)=O 132565888 343900845 /nfs/dbraw/zinc/90/08/45/343900845.db2.gz VLRHOEZSIHBECL-UHFFFAOYSA-N 0 0 166.224 1.737 10 0 ADAERN CCC[C@H]1N[C@H](C(C)C)C(=O)N1C 132566054 343900872 /nfs/dbraw/zinc/90/08/72/343900872.db2.gz DVMMXPHMOPEGGZ-DTWKUNHWSA-N 0 0 184.283 1.199 10 0 ADAERN CCC[C@@H]1N[C@H](C(C)C)C(=O)N1C 132565836 343900891 /nfs/dbraw/zinc/90/08/91/343900891.db2.gz DVMMXPHMOPEGGZ-RKDXNWHRSA-N 0 0 184.283 1.199 10 0 ADAERN Cc1cnc(C(=O)C2CC2)nc1 132573709 343900922 /nfs/dbraw/zinc/90/09/22/343900922.db2.gz FZGDRFDLSBQXKW-UHFFFAOYSA-N 0 0 162.192 1.378 10 0 ADAERN CCCC(=O)c1ncc(C)cn1 132565551 343900993 /nfs/dbraw/zinc/90/09/93/343900993.db2.gz HNQDORMDRDEZSG-UHFFFAOYSA-N 0 0 164.208 1.768 10 0 ADAERN CC(=O)CN1CCS[C@H](C)[C@H]1C 132583531 343901004 /nfs/dbraw/zinc/90/10/04/343901004.db2.gz CBHSFSUCAGYSKT-RKDXNWHRSA-N 0 0 187.308 1.401 10 0 ADAERN CCC[C@H]1N[C@@H](C(C)C)C(=O)N1C 132566452 343901030 /nfs/dbraw/zinc/90/10/30/343901030.db2.gz DVMMXPHMOPEGGZ-IUCAKERBSA-N 0 0 184.283 1.199 10 0 ADAERN CC(C)C[C@H]1CCCCNC1=O 132578941 343901037 /nfs/dbraw/zinc/90/10/37/343901037.db2.gz GVFUZCBYWQWFJH-SECBINFHSA-N 0 0 169.268 1.949 10 0 ADAERN C[C@@H]1N[C@@H](c2ccsc2)N(C)C1=O 132611832 343901286 /nfs/dbraw/zinc/90/12/86/343901286.db2.gz AMIPUHONAAYHHB-POYBYMJQSA-N 0 0 196.275 1.197 10 0 ADAERN CC[C@H]1N[C@H](CC(C)C)C(=O)N1C 132600279 343901289 /nfs/dbraw/zinc/90/12/89/343901289.db2.gz UCXXPPGHHVSDED-BDAKNGLRSA-N 0 0 184.283 1.199 10 0 ADAERN C[C@@H](O)CCc1cccc2c1OCC2 132611816 343901307 /nfs/dbraw/zinc/90/13/07/343901307.db2.gz GHOCBTHAQMUGQO-SECBINFHSA-N 0 0 192.258 1.935 10 0 ADAERN CCc1nn(C)c(CC)c1[C@@H](C)O 132604293 343901309 /nfs/dbraw/zinc/90/13/09/343901309.db2.gz HBRMVLVIBQMTEC-SSDOTTSWSA-N 0 0 182.267 1.598 10 0 ADAERN CC(C)(C)c1ccccc1CNN 132601575 343901312 /nfs/dbraw/zinc/90/13/12/343901312.db2.gz AQSHQIBBTDRUMP-UHFFFAOYSA-N 0 0 178.279 1.947 10 0 ADAERN C[C@H]1N[C@@H](c2ccsc2)N(C)C1=O 132611635 343901326 /nfs/dbraw/zinc/90/13/26/343901326.db2.gz AMIPUHONAAYHHB-HTRCEHHLSA-N 0 0 196.275 1.197 10 0 ADAERN CC[C@H](C)[C@@H](O)c1ncc(C)cn1 132592868 343901332 /nfs/dbraw/zinc/90/13/32/343901332.db2.gz LNELOLXLJIMKKZ-DTWKUNHWSA-N 0 0 180.251 1.865 10 0 ADAERN CCc1nnc(C)cc1C1(O)CC1 132608040 343901333 /nfs/dbraw/zinc/90/13/33/343901333.db2.gz QSRKDOXLYRFGHN-UHFFFAOYSA-N 0 0 178.235 1.329 10 0 ADAERN CC[C@H](C)[C@H](O)c1ncc(C)cn1 132592471 343901336 /nfs/dbraw/zinc/90/13/36/343901336.db2.gz LNELOLXLJIMKKZ-IUCAKERBSA-N 0 0 180.251 1.865 10 0 ADAERN CC(=O)CN1CCS[C@H](C)[C@@H]1C 132583738 343901338 /nfs/dbraw/zinc/90/13/38/343901338.db2.gz CBHSFSUCAGYSKT-DTWKUNHWSA-N 0 0 187.308 1.401 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1ncc(C)cn1 132592661 343901341 /nfs/dbraw/zinc/90/13/41/343901341.db2.gz LNELOLXLJIMKKZ-RKDXNWHRSA-N 0 0 180.251 1.865 10 0 ADAERN C[C@H](O)CCc1cccc2c1OCC2 132611634 343901373 /nfs/dbraw/zinc/90/13/73/343901373.db2.gz GHOCBTHAQMUGQO-VIFPVBQESA-N 0 0 192.258 1.935 10 0 ADAERN Cc1cc(C2(O)CC2)c(C)nn1 132608498 343901383 /nfs/dbraw/zinc/90/13/83/343901383.db2.gz XYBMWJWOVUPELA-UHFFFAOYSA-N 0 0 164.208 1.075 10 0 ADAERN CCc1n[nH]c(CC)c1CO 132598934 343901401 /nfs/dbraw/zinc/90/14/01/343901401.db2.gz OUXSGUHRRUFABP-UHFFFAOYSA-N 0 0 154.213 1.027 10 0 ADAERN CCc1nnc(C)cc1[C@]1(O)C[C@@H]1C 132608695 343901402 /nfs/dbraw/zinc/90/14/02/343901402.db2.gz RXAIALNMZVIIBW-CPCISQLKSA-N 0 0 192.262 1.575 10 0 ADAERN c1ccc(NCc2csnn2)nc1 132598229 343901434 /nfs/dbraw/zinc/90/14/34/343901434.db2.gz WYKPYHZUFJVAGX-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CCc1nnc(C)cc1[C@@]1(O)C[C@H]1C 132609360 343901441 /nfs/dbraw/zinc/90/14/41/343901441.db2.gz RXAIALNMZVIIBW-RDDDGLTNSA-N 0 0 192.262 1.575 10 0 ADAERN Cc1cnc([C@H](O)C(C)C)nc1 132603613 343901468 /nfs/dbraw/zinc/90/14/68/343901468.db2.gz JIJVJPVFOKPYHH-MRVPVSSYSA-N 0 0 166.224 1.474 10 0 ADAERN CC[C@@H]1N[C@@H](CC(C)C)C(=O)N1C 132600524 343901473 /nfs/dbraw/zinc/90/14/73/343901473.db2.gz UCXXPPGHHVSDED-DTWKUNHWSA-N 0 0 184.283 1.199 10 0 ADAERN CCc1nnc(C)cc1[C@@]1(O)C[C@@H]1C 132608920 343901477 /nfs/dbraw/zinc/90/14/77/343901477.db2.gz RXAIALNMZVIIBW-WRWORJQWSA-N 0 0 192.262 1.575 10 0 ADAERN CC[C@@H](C)[C@H](O)c1ncc(C)cn1 132592262 343901484 /nfs/dbraw/zinc/90/14/84/343901484.db2.gz LNELOLXLJIMKKZ-BDAKNGLRSA-N 0 0 180.251 1.865 10 0 ADAERN CC[C@@H]1N[C@H](CC(C)C)C(=O)N1C 132600077 343901491 /nfs/dbraw/zinc/90/14/91/343901491.db2.gz UCXXPPGHHVSDED-RKDXNWHRSA-N 0 0 184.283 1.199 10 0 ADAERN Cc1cnc([C@@H](O)C(C)C)nc1 132603815 343901513 /nfs/dbraw/zinc/90/15/13/343901513.db2.gz JIJVJPVFOKPYHH-QMMMGPOBSA-N 0 0 166.224 1.474 10 0 ADAERN Cc1cnc([C@H](N)c2ccoc2)nc1 132656186 343901791 /nfs/dbraw/zinc/90/17/91/343901791.db2.gz HACPQFOLULPDAJ-SECBINFHSA-N 0 0 189.218 1.426 10 0 ADAERN CC[C@]1(C)N[C@H](C(C)C)N(C)C1=O 132627101 343901800 /nfs/dbraw/zinc/90/18/00/343901800.db2.gz NFFOQWAGLTZRCX-WPRPVWTQSA-N 0 0 184.283 1.199 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1ccnnc1 132615226 343901809 /nfs/dbraw/zinc/90/18/09/343901809.db2.gz GPQCONPGOBYWDD-WPRPVWTQSA-N 0 0 178.235 1.484 10 0 ADAERN Cc1cnc([C@H](O)c2ccoc2)nc1 132616560 343901821 /nfs/dbraw/zinc/90/18/21/343901821.db2.gz VODVLGKBMYPORA-SECBINFHSA-N 0 0 190.202 1.460 10 0 ADAERN C[C@H]1N[C@H](c2ccsc2)N(C)C1=O 132612055 343901833 /nfs/dbraw/zinc/90/18/33/343901833.db2.gz AMIPUHONAAYHHB-SVRRBLITSA-N 0 0 196.275 1.197 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1ccnnc1 132615010 343901846 /nfs/dbraw/zinc/90/18/46/343901846.db2.gz GPQCONPGOBYWDD-SCZZXKLOSA-N 0 0 178.235 1.484 10 0 ADAERN CC[C@@]1(C)N[C@H](C(C)C)N(C)C1=O 132626905 343901852 /nfs/dbraw/zinc/90/18/52/343901852.db2.gz NFFOQWAGLTZRCX-WCBMZHEXSA-N 0 0 184.283 1.199 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1cc(C)nnc1C 132613334 343901856 /nfs/dbraw/zinc/90/18/56/343901856.db2.gz NQJUYOOZDKXTAX-KOLCDFICSA-N 0 0 192.262 1.711 10 0 ADAERN CC[C@]1(C)N[C@@H](C(C)C)N(C)C1=O 132626665 343901868 /nfs/dbraw/zinc/90/18/68/343901868.db2.gz NFFOQWAGLTZRCX-SCZZXKLOSA-N 0 0 184.283 1.199 10 0 ADAERN CCC[C@@H]1NC2(CCCC2)C(=O)N1C 132627295 343901871 /nfs/dbraw/zinc/90/18/71/343901871.db2.gz JSVUFGMNSKHRJY-SECBINFHSA-N 0 0 196.294 1.487 10 0 ADAERN Cc1cnc([C@@H](O)c2ccoc2)nc1 132616757 343901882 /nfs/dbraw/zinc/90/18/82/343901882.db2.gz VODVLGKBMYPORA-VIFPVBQESA-N 0 0 190.202 1.460 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cc(C)nnc1C 132613120 343901890 /nfs/dbraw/zinc/90/18/90/343901890.db2.gz NQJUYOOZDKXTAX-GXSJLCMTSA-N 0 0 192.262 1.711 10 0 ADAERN Cc1cnc([C@@H](O)c2ccco2)nc1 132618440 343901894 /nfs/dbraw/zinc/90/18/94/343901894.db2.gz YPUKUSPAKVKKHO-VIFPVBQESA-N 0 0 190.202 1.460 10 0 ADAERN CCC[C@H]1N[C@](C)(CC)C(=O)N1C 132623805 343901895 /nfs/dbraw/zinc/90/18/95/343901895.db2.gz ULHWRVHWPIDSDP-WCBMZHEXSA-N 0 0 184.283 1.343 10 0 ADAERN Cc1cnc([C@H](O)c2ccco2)nc1 132618247 343901983 /nfs/dbraw/zinc/90/19/83/343901983.db2.gz YPUKUSPAKVKKHO-SECBINFHSA-N 0 0 190.202 1.460 10 0 ADAERN C[C@@H]1N[C@H](c2ccsc2)N(C)C1=O 132612247 343901992 /nfs/dbraw/zinc/90/19/92/343901992.db2.gz AMIPUHONAAYHHB-XPUUQOCRSA-N 0 0 196.275 1.197 10 0 ADAERN Clc1nnc(-c2ccnnc2)s1 132620559 343902002 /nfs/dbraw/zinc/90/20/02/343902002.db2.gz SMRGILOPDLLPOT-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CC[C@H](C)[C@H]1N[C@H](CC)N(C)C1=O 132690323 343902324 /nfs/dbraw/zinc/90/23/24/343902324.db2.gz XGHVIYXJHBLCEJ-XHNCKOQMSA-N 0 0 184.283 1.199 10 0 ADAERN CC(C)[C@@H]1NC2(CCCC2)C(=O)N1C 132694242 343902370 /nfs/dbraw/zinc/90/23/70/343902370.db2.gz PRMLHYIADDFWRM-SECBINFHSA-N 0 0 196.294 1.343 10 0 ADAERN Cc1cnc([C@H]([NH3+])CC2CCC2)nc1 132657790 343902399 /nfs/dbraw/zinc/90/23/99/343902399.db2.gz BDYSKHKNIMDUSB-SNVBAGLBSA-N 0 0 191.278 1.975 10 0 ADAERN CCc1c(N)noc1-c1ccnnc1 132689302 343902405 /nfs/dbraw/zinc/90/24/05/343902405.db2.gz OAXDEYTXKCCHRZ-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN C[C@@H]1CC[N@H+](Cc2ccc(O)cn2)C1 132661010 343902407 /nfs/dbraw/zinc/90/24/07/343902407.db2.gz YPCFIKADQQKFSX-SECBINFHSA-N 0 0 192.262 1.629 10 0 ADAERN N[C@@H](Cc1nccs1)C(F)(F)F 132680827 343902485 /nfs/dbraw/zinc/90/24/85/343902485.db2.gz NMWJXUXLYJAANI-BYPYZUCNSA-N 0 0 196.197 1.575 10 0 ADAERN Cc1cnc([C@@H]([NH3+])CC2CCC2)nc1 132657962 343902502 /nfs/dbraw/zinc/90/25/02/343902502.db2.gz BDYSKHKNIMDUSB-JTQLQIEISA-N 0 0 191.278 1.975 10 0 ADAERN CC[C@@H]1N[C@@H](CC(C)C)N(C)C1=O 132666651 343902515 /nfs/dbraw/zinc/90/25/15/343902515.db2.gz VYUPNRIYOWHGKQ-DTWKUNHWSA-N 0 0 184.283 1.199 10 0 ADAERN CC(C)n1cnnc1-c1ccnnc1 132692752 343902523 /nfs/dbraw/zinc/90/25/23/343902523.db2.gz XDYHHCVNDIGGGI-UHFFFAOYSA-N 0 0 189.222 1.316 10 0 ADAERN CC[C@H]1N[C@@H](CC(C)C)N(C)C1=O 132666449 343902533 /nfs/dbraw/zinc/90/25/33/343902533.db2.gz VYUPNRIYOWHGKQ-RKDXNWHRSA-N 0 0 184.283 1.199 10 0 ADAERN CC[C@H](C)[C@@H]1N[C@@H](CC)N(C)C1=O 132690566 343902558 /nfs/dbraw/zinc/90/25/58/343902558.db2.gz XGHVIYXJHBLCEJ-YIZRAAEISA-N 0 0 184.283 1.199 10 0 ADAERN Cc1c(N)noc1-c1ccnnc1 132687989 343902567 /nfs/dbraw/zinc/90/25/67/343902567.db2.gz LGEBOOVCMZUXTK-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Nc1noc(-c2ccnnc2)c1Cl 132690171 343902616 /nfs/dbraw/zinc/90/26/16/343902616.db2.gz NKJYPVOHRYDBCO-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN CC(C)C[C@@H]1N[C@@H](C(C)C)N(C)C1=O 132674626 343902625 /nfs/dbraw/zinc/90/26/25/343902625.db2.gz MCIQLRWOSNMTIE-VHSXEESVSA-N 0 0 198.310 1.445 10 0 ADAERN C[C@H]1CC[N@H+](Cc2ccc(O)cn2)C1 132661219 343902645 /nfs/dbraw/zinc/90/26/45/343902645.db2.gz YPCFIKADQQKFSX-VIFPVBQESA-N 0 0 192.262 1.629 10 0 ADAERN [NH3+][C@@H]1CCc2c(C(=O)[O-])csc2C1 132733940 343902936 /nfs/dbraw/zinc/90/29/36/343902936.db2.gz HQMMOTQIDIHYOY-RXMQYKEDSA-N 0 0 197.259 1.262 10 0 ADAERN CO[C@@H]1C(=O)C[C@@H]1OC1CCCCC1 132730410 343902940 /nfs/dbraw/zinc/90/29/40/343902940.db2.gz UDEVXMADDFSVKT-WDEREUQCSA-N 0 0 198.262 1.692 10 0 ADAERN C[C@H]1N[C@@H](c2cccs2)N(C)C1=O 132723339 343902950 /nfs/dbraw/zinc/90/29/50/343902950.db2.gz AIEQQUWXBBMZFA-HTRCEHHLSA-N 0 0 196.275 1.197 10 0 ADAERN CO[C@@H]1C(=O)C[C@H]1Oc1ccccc1 132719284 343902956 /nfs/dbraw/zinc/90/29/56/343902956.db2.gz JTLBCEMLBMYQTI-GHMZBOCLSA-N 0 0 192.214 1.422 10 0 ADAERN CN1C(=O)C2(CC2)N[C@@H]1C1CCCC1 132741670 343902969 /nfs/dbraw/zinc/90/29/69/343902969.db2.gz XDFGTBVTYMWURW-VIFPVBQESA-N 0 0 194.278 1.097 10 0 ADAERN CC(C)[C@H]1NC2(CCCC2)C(=O)N1C 132694427 343902974 /nfs/dbraw/zinc/90/29/74/343902974.db2.gz PRMLHYIADDFWRM-VIFPVBQESA-N 0 0 196.294 1.343 10 0 ADAERN CO[C@H]1C(=O)C[C@@H]1OC1CCCCC1 132730217 343903008 /nfs/dbraw/zinc/90/30/08/343903008.db2.gz UDEVXMADDFSVKT-QWRGUYRKSA-N 0 0 198.262 1.692 10 0 ADAERN CO[C@@H]1C(=O)C[C@@H]1Oc1ccccc1 132719727 343903027 /nfs/dbraw/zinc/90/30/27/343903027.db2.gz JTLBCEMLBMYQTI-WDEREUQCSA-N 0 0 192.214 1.422 10 0 ADAERN Cc1cnc(-c2nc(C)c[nH]2)nc1 132723283 343903036 /nfs/dbraw/zinc/90/30/36/343903036.db2.gz CECPNDMWNPBDCK-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN CO[C@@H]1C(=O)C[C@H]1OC1CCCCC1 132730016 343903038 /nfs/dbraw/zinc/90/30/38/343903038.db2.gz UDEVXMADDFSVKT-GHMZBOCLSA-N 0 0 198.262 1.692 10 0 ADAERN Cc1cnc(-c2noc(Cl)n2)nc1 132722203 343903049 /nfs/dbraw/zinc/90/30/49/343903049.db2.gz VABQSTSQCUTXAM-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN CO[C@H]1C(=O)C[C@H]1Oc1ccccc1 132719093 343903051 /nfs/dbraw/zinc/90/30/51/343903051.db2.gz JTLBCEMLBMYQTI-MNOVXSKESA-N 0 0 192.214 1.422 10 0 ADAERN C[C@@H]1N[C@@H](c2cccs2)N(C)C1=O 132723530 343903061 /nfs/dbraw/zinc/90/30/61/343903061.db2.gz AIEQQUWXBBMZFA-POYBYMJQSA-N 0 0 196.275 1.197 10 0 ADAERN CN1C(=O)C2(CC2)N[C@H]1C1CCCC1 132741502 343903066 /nfs/dbraw/zinc/90/30/66/343903066.db2.gz XDFGTBVTYMWURW-SECBINFHSA-N 0 0 194.278 1.097 10 0 ADAERN CO[C@H]1C(=O)C[C@@H]1Oc1ccccc1 132719503 343903074 /nfs/dbraw/zinc/90/30/74/343903074.db2.gz JTLBCEMLBMYQTI-QWRGUYRKSA-N 0 0 192.214 1.422 10 0 ADAERN C[C@@H]1N[C@H](c2cccs2)N(C)C1=O 132723945 343903084 /nfs/dbraw/zinc/90/30/84/343903084.db2.gz AIEQQUWXBBMZFA-XPUUQOCRSA-N 0 0 196.275 1.197 10 0 ADAERN C[C@@H]1N[C@H](c2ccccc2)C(=O)N1C 132705739 343903094 /nfs/dbraw/zinc/90/30/94/343903094.db2.gz WXXVSIXGVXKZND-PSASIEDQSA-N 0 0 190.246 1.135 10 0 ADAERN C[C@@H]1N[C@@H](c2ccccc2)C(=O)N1C 132706209 343903123 /nfs/dbraw/zinc/90/31/23/343903123.db2.gz WXXVSIXGVXKZND-SCZZXKLOSA-N 0 0 190.246 1.135 10 0 ADAERN C[C@H]1N[C@@H](c2ccccc2)C(=O)N1C 132706410 343903126 /nfs/dbraw/zinc/90/31/26/343903126.db2.gz WXXVSIXGVXKZND-WPRPVWTQSA-N 0 0 190.246 1.135 10 0 ADAERN C[C@H]1N[C@H](c2ccccc2)C(=O)N1C 132705982 343903140 /nfs/dbraw/zinc/90/31/40/343903140.db2.gz WXXVSIXGVXKZND-WCBMZHEXSA-N 0 0 190.246 1.135 10 0 ADAERN CO[C@H]1C(=O)C[C@H]1OC1CCCCC1 132729798 343903174 /nfs/dbraw/zinc/90/31/74/343903174.db2.gz UDEVXMADDFSVKT-MNOVXSKESA-N 0 0 198.262 1.692 10 0 ADAERN Cc1cnc(-c2ncc[nH]2)nc1 132723038 343903176 /nfs/dbraw/zinc/90/31/76/343903176.db2.gz KLWROCCUJDXSML-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN [NH3+][C@H]1CCc2c(C(=O)[O-])csc2C1 132734107 343903236 /nfs/dbraw/zinc/90/32/36/343903236.db2.gz HQMMOTQIDIHYOY-YFKPBYRVSA-N 0 0 197.259 1.262 10 0 ADAERN CC(C)(C)[C@H](NN)[C@H]1CCCCO1 132765733 343903522 /nfs/dbraw/zinc/90/35/22/343903522.db2.gz XCZNYGMASMBNIA-RKDXNWHRSA-N 0 0 186.299 1.434 10 0 ADAERN Cc1cnc(C(=N)NC(C)C)nc1 132750268 343903610 /nfs/dbraw/zinc/90/36/10/343903610.db2.gz QKPWEMWXHIAMJH-UHFFFAOYSA-N 0 0 178.239 1.108 10 0 ADAERN Cc1cnccc1-c1nsc(N)n1 132771623 343903624 /nfs/dbraw/zinc/90/36/24/343903624.db2.gz YMTXCXWKYHGRRJ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@@](O)(CO)c1ccc(F)c(F)c1 132775841 343903638 /nfs/dbraw/zinc/90/36/38/343903638.db2.gz RJYIOHLYESNTSR-SECBINFHSA-N 0 0 188.173 1.165 10 0 ADAERN CC(C)C(=O)Nc1cncc(Cl)n1 132768634 343903643 /nfs/dbraw/zinc/90/36/43/343903643.db2.gz KFXJIYSXAZMOCT-UHFFFAOYSA-N 0 0 199.641 1.725 10 0 ADAERN CC(C)(C)[C@H](NN)[C@@H]1CCCCO1 132765320 343903653 /nfs/dbraw/zinc/90/36/53/343903653.db2.gz XCZNYGMASMBNIA-DTWKUNHWSA-N 0 0 186.299 1.434 10 0 ADAERN CC(C)(C)[C@@H](NN)[C@H]1CCCCO1 132765957 343903659 /nfs/dbraw/zinc/90/36/59/343903659.db2.gz XCZNYGMASMBNIA-BDAKNGLRSA-N 0 0 186.299 1.434 10 0 ADAERN Cc1cnc(C(=N)NC(C)(C)C)nc1 132750775 343903666 /nfs/dbraw/zinc/90/36/66/343903666.db2.gz QKGHFXUSURIGDO-UHFFFAOYSA-N 0 0 192.266 1.498 10 0 ADAERN CCCC(=O)Nc1cncc(Cl)n1 132767970 343903678 /nfs/dbraw/zinc/90/36/78/343903678.db2.gz FMYXYIQBBPMCIB-UHFFFAOYSA-N 0 0 199.641 1.869 10 0 ADAERN CCC(=O)Nc1cncc(Cl)n1 132769734 343903716 /nfs/dbraw/zinc/90/37/16/343903716.db2.gz ABBDJTLQTIZJPT-UHFFFAOYSA-N 0 0 185.614 1.479 10 0 ADAERN O=C(Nc1cncc(Cl)n1)C1CC1 132774338 343903736 /nfs/dbraw/zinc/90/37/36/343903736.db2.gz ZGKMAXDDVYDANW-UHFFFAOYSA-N 0 0 197.625 1.479 10 0 ADAERN Cc1ccc([C@](C)(O)CO)cc1C 132779364 343903761 /nfs/dbraw/zinc/90/37/61/343903761.db2.gz PNRADOMYSOZWSY-LLVKDONJSA-N 0 0 180.247 1.503 10 0 ADAERN CCc1cnccc1-c1noc(N)n1 132767211 343903771 /nfs/dbraw/zinc/90/37/71/343903771.db2.gz BYBXGAZKWLDGII-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CC(C)(C)[C@@H](NN)c1cnsn1 132759766 343903777 /nfs/dbraw/zinc/90/37/77/343903777.db2.gz CFMGKKCONWOHRS-LURJTMIESA-N 0 0 186.284 1.089 10 0 ADAERN CC(C)(C)[C@@H](NN)[C@@H]1CCCCO1 132765554 343903806 /nfs/dbraw/zinc/90/38/06/343903806.db2.gz XCZNYGMASMBNIA-IUCAKERBSA-N 0 0 186.299 1.434 10 0 ADAERN Cc1ccc([C@@](C)(O)CO)cc1C 132779523 343903808 /nfs/dbraw/zinc/90/38/08/343903808.db2.gz PNRADOMYSOZWSY-NSHDSACASA-N 0 0 180.247 1.503 10 0 ADAERN C[C@](O)(CO)c1ccc(F)c(F)c1 132776002 343903813 /nfs/dbraw/zinc/90/38/13/343903813.db2.gz RJYIOHLYESNTSR-VIFPVBQESA-N 0 0 188.173 1.165 10 0 ADAERN Cc1cnccc1-c1noc(N)n1 132763328 343903829 /nfs/dbraw/zinc/90/38/29/343903829.db2.gz YYCGOLIQHXXWQN-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(C)(C)[C@H](NN)c1cnsn1 132759581 343903845 /nfs/dbraw/zinc/90/38/45/343903845.db2.gz CFMGKKCONWOHRS-ZCFIWIBFSA-N 0 0 186.284 1.089 10 0 ADAERN Cc1cnccc1-c1ncc(N)cn1 132769444 343903867 /nfs/dbraw/zinc/90/38/67/343903867.db2.gz MCJGUKBLTALEFB-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[C@@](O)(CO)c1ccc(C)cc1 132793302 343904147 /nfs/dbraw/zinc/90/41/47/343904147.db2.gz WIYYMEBBCPRAJT-LLVKDONJSA-N 0 0 180.247 1.585 10 0 ADAERN CC(C)(C)[C@H](NN)c1ccnnc1 132786826 343904344 /nfs/dbraw/zinc/90/43/44/343904344.db2.gz KJSVXHPRSNAPQZ-MRVPVSSYSA-N 0 0 180.255 1.027 10 0 ADAERN CC[C@](O)(CO)c1ccc(C)cc1 132793500 343904379 /nfs/dbraw/zinc/90/43/79/343904379.db2.gz WIYYMEBBCPRAJT-NSHDSACASA-N 0 0 180.247 1.585 10 0 ADAERN CC(C)(C)[C@@H](NN)c1ccnnc1 132787039 343904408 /nfs/dbraw/zinc/90/44/08/343904408.db2.gz KJSVXHPRSNAPQZ-QMMMGPOBSA-N 0 0 180.255 1.027 10 0 ADAERN Cc1cccc([C@@](C)(O)CO)c1 132797750 343904637 /nfs/dbraw/zinc/90/46/37/343904637.db2.gz FNULQZCMIWNUHA-JTQLQIEISA-N 0 0 166.220 1.195 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@](O)(CO)C1 132800615 343904640 /nfs/dbraw/zinc/90/46/40/343904640.db2.gz KVXDUSZAFYCYDU-IWSPIJDZSA-N 0 0 158.241 1.166 10 0 ADAERN C[C@H]1CC[C@@](O)(CO)c2ccccc21 132805468 343904645 /nfs/dbraw/zinc/90/46/45/343904645.db2.gz UJXIVIPGEMDFDF-JOYOIKCWSA-N 0 0 192.258 1.764 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]1(O)CO 132800183 343904668 /nfs/dbraw/zinc/90/46/68/343904668.db2.gz KVXDUSZAFYCYDU-HRDYMLBCSA-N 0 0 158.241 1.166 10 0 ADAERN Cc1cc(C)cc([C@](C)(O)CO)c1 132806562 343904693 /nfs/dbraw/zinc/90/46/93/343904693.db2.gz WJNAJUOUKBLBMU-LLVKDONJSA-N 0 0 180.247 1.503 10 0 ADAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)CO 132808588 343904743 /nfs/dbraw/zinc/90/47/43/343904743.db2.gz RGXNWNZYNXUCLC-GXSJLCMTSA-N 0 0 186.295 1.946 10 0 ADAERN Cc1cc(C)cc([C@@](C)(O)CO)c1 132806799 343904807 /nfs/dbraw/zinc/90/48/07/343904807.db2.gz WJNAJUOUKBLBMU-NSHDSACASA-N 0 0 180.247 1.503 10 0 ADAERN OC[C@@H](O)c1ccc(C(F)F)cc1 132806117 343904809 /nfs/dbraw/zinc/90/48/09/343904809.db2.gz OJJARULCUWXMPN-MRVPVSSYSA-N 0 0 188.173 1.650 10 0 ADAERN CC(C)(C)[C@@H]1CCCC[C@]1(O)CO 132808183 343904854 /nfs/dbraw/zinc/90/48/54/343904854.db2.gz RGXNWNZYNXUCLC-ONGXEEELSA-N 0 0 186.295 1.946 10 0 ADAERN Cc1cnccc1C(=O)c1cnccn1 132795209 343904878 /nfs/dbraw/zinc/90/48/78/343904878.db2.gz VKMFUHRPFZNWIC-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CC(C)(C)[C@H]1CCCC[C@]1(O)CO 132808371 343904898 /nfs/dbraw/zinc/90/48/98/343904898.db2.gz RGXNWNZYNXUCLC-KOLCDFICSA-N 0 0 186.295 1.946 10 0 ADAERN CCCC1CCC(O)(CO)CC1 132807025 343904900 /nfs/dbraw/zinc/90/49/00/343904900.db2.gz IQLQIPFVOZVXFC-UHFFFAOYSA-N 0 0 172.268 1.700 10 0 ADAERN C[C@@H]1CC[C@](O)(CO)c2ccccc21 132804878 343904902 /nfs/dbraw/zinc/90/49/02/343904902.db2.gz UJXIVIPGEMDFDF-SKDRFNHKSA-N 0 0 192.258 1.764 10 0 ADAERN CCC1CCC(O)(CO)CC1 132810407 343904904 /nfs/dbraw/zinc/90/49/04/343904904.db2.gz QWAHTYATFTUGQK-UHFFFAOYSA-N 0 0 158.241 1.310 10 0 ADAERN C[C@@H]1CC[C@@](O)(CO)c2ccccc21 132805270 343904913 /nfs/dbraw/zinc/90/49/13/343904913.db2.gz UJXIVIPGEMDFDF-BXKDBHETSA-N 0 0 192.258 1.764 10 0 ADAERN CCc1ccc([C@H](O)CO)s1 132826134 343905182 /nfs/dbraw/zinc/90/51/82/343905182.db2.gz UXGDXHJHZKIQPN-SSDOTTSWSA-N 0 0 172.249 1.336 10 0 ADAERN COC[C@H](O)c1ccncc1C 132816729 343905193 /nfs/dbraw/zinc/90/51/93/343905193.db2.gz XDIORNYOHIPKJV-VIFPVBQESA-N 0 0 167.208 1.070 10 0 ADAERN Cc1ccc([C@](C)(O)CO)cc1F 132819916 343905206 /nfs/dbraw/zinc/90/52/06/343905206.db2.gz DTPATICBUILNMB-SNVBAGLBSA-N 0 0 184.210 1.334 10 0 ADAERN OC[C@H](O)c1cccc2cccnc12 132828684 343905208 /nfs/dbraw/zinc/90/52/08/343905208.db2.gz JVPWOJXTYUWJFS-JTQLQIEISA-N 0 0 189.214 1.261 10 0 ADAERN CC(C)[C@@H]1CCC[C@](O)(CO)CC1 132831310 343905217 /nfs/dbraw/zinc/90/52/17/343905217.db2.gz LGTIPPUSVYRSTM-GHMZBOCLSA-N 0 0 186.295 1.946 10 0 ADAERN CC[C@@H]1CCC[C@](O)(CO)C1 132828871 343905237 /nfs/dbraw/zinc/90/52/37/343905237.db2.gz GBISMVMAVIXITG-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN CCc1ccc([C@@H](O)CO)s1 132826322 343905243 /nfs/dbraw/zinc/90/52/43/343905243.db2.gz UXGDXHJHZKIQPN-ZETCQYMHSA-N 0 0 172.249 1.336 10 0 ADAERN Cc1ccc(C)c([C@@](C)(O)CO)c1 132834830 343905245 /nfs/dbraw/zinc/90/52/45/343905245.db2.gz VQXMEGNXTCVTMO-NSHDSACASA-N 0 0 180.247 1.503 10 0 ADAERN CC[C@H]1CCC[C@@](O)(CO)C1 132829489 343905254 /nfs/dbraw/zinc/90/52/54/343905254.db2.gz GBISMVMAVIXITG-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN OC[C@]1(O)CCCCc2ccccc21 132823262 343905258 /nfs/dbraw/zinc/90/52/58/343905258.db2.gz OHEZPTPNQJHJRT-GFCCVEGCSA-N 0 0 192.258 1.593 10 0 ADAERN Cc1ccc(C)c([C@](C)(O)CO)c1 132834628 343905269 /nfs/dbraw/zinc/90/52/69/343905269.db2.gz VQXMEGNXTCVTMO-LLVKDONJSA-N 0 0 180.247 1.503 10 0 ADAERN Cc1cnccc1[C@@H](O)C1CC1 132833107 343905300 /nfs/dbraw/zinc/90/53/00/343905300.db2.gz MXWHPFLXXFOKCE-JTQLQIEISA-N 0 0 163.220 1.833 10 0 ADAERN OC[C@@H](O)c1cccc2cccnc12 132828502 343905320 /nfs/dbraw/zinc/90/53/20/343905320.db2.gz JVPWOJXTYUWJFS-SNVBAGLBSA-N 0 0 189.214 1.261 10 0 ADAERN CC(C)[C@H]1CCC[C@@](O)(CO)CC1 132831915 343905326 /nfs/dbraw/zinc/90/53/26/343905326.db2.gz LGTIPPUSVYRSTM-QWRGUYRKSA-N 0 0 186.295 1.946 10 0 ADAERN CC(C)[C@@H]1CCC[C@@](O)(CO)CC1 132831704 343905328 /nfs/dbraw/zinc/90/53/28/343905328.db2.gz LGTIPPUSVYRSTM-MNOVXSKESA-N 0 0 186.295 1.946 10 0 ADAERN COC[C@@H](O)c1ccncc1C 132816532 343905340 /nfs/dbraw/zinc/90/53/40/343905340.db2.gz XDIORNYOHIPKJV-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN Cc1cnccc1[C@H](O)C1CC1 132832895 343905341 /nfs/dbraw/zinc/90/53/41/343905341.db2.gz MXWHPFLXXFOKCE-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN OC[C@@]1(O)CCCCc2ccccc21 132823054 343905359 /nfs/dbraw/zinc/90/53/59/343905359.db2.gz OHEZPTPNQJHJRT-LBPRGKRZSA-N 0 0 192.258 1.593 10 0 ADAERN Cc1ccc2c(c1)[C@@](O)(CO)CC2 132834000 343905365 /nfs/dbraw/zinc/90/53/65/343905365.db2.gz GIKIFFDRMZQLJP-NSHDSACASA-N 0 0 178.231 1.121 10 0 ADAERN CC[C@H]1CCC[C@](O)(CO)C1 132829079 343905383 /nfs/dbraw/zinc/90/53/83/343905383.db2.gz GBISMVMAVIXITG-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN CC(C)[C@H]1CCC[C@](O)(CO)CC1 132831496 343905386 /nfs/dbraw/zinc/90/53/86/343905386.db2.gz LGTIPPUSVYRSTM-WDEREUQCSA-N 0 0 186.295 1.946 10 0 ADAERN Cc1cc(F)ccc1[C@H](O)CO 132849704 343905606 /nfs/dbraw/zinc/90/56/06/343905606.db2.gz RMMZVJCKVXURDO-SECBINFHSA-N 0 0 170.183 1.160 10 0 ADAERN OC[C@]1(O)CCSc2ccccc21 132846205 343905616 /nfs/dbraw/zinc/90/56/16/343905616.db2.gz JPKUUKXFQMGESD-SNVBAGLBSA-N 0 0 196.271 1.362 10 0 ADAERN Cc1cc(F)ccc1[C@@H](O)CO 132849902 343905630 /nfs/dbraw/zinc/90/56/30/343905630.db2.gz RMMZVJCKVXURDO-VIFPVBQESA-N 0 0 170.183 1.160 10 0 ADAERN C[C@@H]1CC(C)(C)CC[C@@]1(O)CO 132842933 343905667 /nfs/dbraw/zinc/90/56/67/343905667.db2.gz HVWOVXROWKBWOM-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1cc([C@H](O)CO)c(C)s1 132849258 343905704 /nfs/dbraw/zinc/90/57/04/343905704.db2.gz XFWXXSWORJPDME-MRVPVSSYSA-N 0 0 172.249 1.391 10 0 ADAERN OC[C@@]1(O)CCSc2ccccc21 132846368 343905707 /nfs/dbraw/zinc/90/57/07/343905707.db2.gz JPKUUKXFQMGESD-JTQLQIEISA-N 0 0 196.271 1.362 10 0 ADAERN C[C@H]1CC(C)(C)CC[C@@]1(O)CO 132843147 343905741 /nfs/dbraw/zinc/90/57/41/343905741.db2.gz HVWOVXROWKBWOM-WCBMZHEXSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@H](CNC#N)C1CC1 132844762 343905851 /nfs/dbraw/zinc/90/58/51/343905851.db2.gz XZDJUWSKBNICLR-ZCFIWIBFSA-N 0 0 124.187 1.103 10 0 ADAERN C[C@@H](CNC#N)C1CC1 132844572 343905749 /nfs/dbraw/zinc/90/57/49/343905749.db2.gz XZDJUWSKBNICLR-LURJTMIESA-N 0 0 124.187 1.103 10 0 ADAERN C[C@H]1CC(C)(C)CC[C@]1(O)CO 132842752 343905754 /nfs/dbraw/zinc/90/57/54/343905754.db2.gz HVWOVXROWKBWOM-WPRPVWTQSA-N 0 0 172.268 1.556 10 0 ADAERN Cc1cc([C@@H](O)CO)c(C)s1 132849465 343905769 /nfs/dbraw/zinc/90/57/69/343905769.db2.gz XFWXXSWORJPDME-QMMMGPOBSA-N 0 0 172.249 1.391 10 0 ADAERN C[C@@H]1CC(C)(C)CC[C@]1(O)CO 132842552 343905781 /nfs/dbraw/zinc/90/57/81/343905781.db2.gz HVWOVXROWKBWOM-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@@](O)(CO)c1ccccc1F 132846571 343905860 /nfs/dbraw/zinc/90/58/60/343905860.db2.gz UBKYKQDJANYNTA-SECBINFHSA-N 0 0 170.183 1.026 10 0 ADAERN C[C@](O)(CO)c1cc(F)ccc1F 132862393 343906198 /nfs/dbraw/zinc/90/61/98/343906198.db2.gz VYPQFNBZYLGOTP-VIFPVBQESA-N 0 0 188.173 1.165 10 0 ADAERN OC[C@H](O)c1ccccc1C1CC1 132856593 343906202 /nfs/dbraw/zinc/90/62/02/343906202.db2.gz PLQZOVXHIJMGJK-NSHDSACASA-N 0 0 178.231 1.590 10 0 ADAERN OC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 132853997 343906269 /nfs/dbraw/zinc/90/62/69/343906269.db2.gz IUXQSQCIZLPIEZ-RQJHMYQMSA-N 0 0 198.184 1.462 10 0 ADAERN C[C@@](O)(CO)c1cc(F)ccc1F 132862170 343906279 /nfs/dbraw/zinc/90/62/79/343906279.db2.gz VYPQFNBZYLGOTP-SECBINFHSA-N 0 0 188.173 1.165 10 0 ADAERN OC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 132854421 343906315 /nfs/dbraw/zinc/90/63/15/343906315.db2.gz IUXQSQCIZLPIEZ-RNFRBKRXSA-N 0 0 198.184 1.462 10 0 ADAERN OC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 132854216 343906299 /nfs/dbraw/zinc/90/62/99/343906299.db2.gz IUXQSQCIZLPIEZ-NKWVEPMBSA-N 0 0 198.184 1.462 10 0 ADAERN OC[C@@]1(O)CCC[C@H](C2CC2)C1 132853194 343906321 /nfs/dbraw/zinc/90/63/21/343906321.db2.gz WSCKXAXIFNHSMT-VHSXEESVSA-N 0 0 170.252 1.310 10 0 ADAERN C[C@@H]1CCC[C@](O)(CO)CC1 132873094 343906850 /nfs/dbraw/zinc/90/68/50/343906850.db2.gz PBJJDUDJWFFGSA-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN CC1(C)CCC[C@](O)(CO)CC1 132873937 343906509 /nfs/dbraw/zinc/90/65/09/343906509.db2.gz NNRYLYJGEDVADR-SNVBAGLBSA-N 0 0 172.268 1.700 10 0 ADAERN C[C@H]1CCC[C@](O)(CO)CC1 132873290 343906565 /nfs/dbraw/zinc/90/65/65/343906565.db2.gz PBJJDUDJWFFGSA-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN CCc1cncn1-c1ccc(N)nc1 132871754 343906623 /nfs/dbraw/zinc/90/66/23/343906623.db2.gz DDLRZFLBCZQVLW-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN Cc1cccc([C@@H](O)CO)c1C 132889241 343906693 /nfs/dbraw/zinc/90/66/93/343906693.db2.gz LTYNXQNWANJLHI-JTQLQIEISA-N 0 0 166.220 1.329 10 0 ADAERN Cc1ccccc1[C@@](C)(O)CO 132882911 343906731 /nfs/dbraw/zinc/90/67/31/343906731.db2.gz PGLGSSUTWWNLSI-JTQLQIEISA-N 0 0 166.220 1.195 10 0 ADAERN Cc1ccccc1[C@](C)(O)CO 132882698 343906781 /nfs/dbraw/zinc/90/67/81/343906781.db2.gz PGLGSSUTWWNLSI-SNVBAGLBSA-N 0 0 166.220 1.195 10 0 ADAERN Cc1cccc([C@H](O)CO)c1C 132889081 343906789 /nfs/dbraw/zinc/90/67/89/343906789.db2.gz LTYNXQNWANJLHI-SNVBAGLBSA-N 0 0 166.220 1.329 10 0 ADAERN CC1(C)CCC[C@@](O)(CO)CC1 132874142 343906791 /nfs/dbraw/zinc/90/67/91/343906791.db2.gz NNRYLYJGEDVADR-JTQLQIEISA-N 0 0 172.268 1.700 10 0 ADAERN C[C@@H]1CCC[C@@](O)(CO)CC1 132873479 343906858 /nfs/dbraw/zinc/90/68/58/343906858.db2.gz PBJJDUDJWFFGSA-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN C[C@](O)(CO)CCc1ccccc1 132883134 343906865 /nfs/dbraw/zinc/90/68/65/343906865.db2.gz IBFBASBLNYRTPE-LLVKDONJSA-N 0 0 180.247 1.363 10 0 ADAERN C[C@H]1CCC[C@@](O)(CO)CC1 132873699 343906868 /nfs/dbraw/zinc/90/68/68/343906868.db2.gz PBJJDUDJWFFGSA-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN CC(C)(C)C1CCC(O)(CO)CC1 132882488 343906884 /nfs/dbraw/zinc/90/68/84/343906884.db2.gz ONGFMIZRLHYNJA-UHFFFAOYSA-N 0 0 186.295 1.946 10 0 ADAERN CON[C@H](C)c1ccncc1 132922831 343907601 /nfs/dbraw/zinc/90/76/01/343907601.db2.gz VOZNKIGRVJKESH-SSDOTTSWSA-N 0 0 152.197 1.294 10 0 ADAERN OC[C@@H](O)c1ccc(C2CC2)cc1 132892928 343907108 /nfs/dbraw/zinc/90/71/08/343907108.db2.gz PWGMZUSXCZFBQX-LLVKDONJSA-N 0 0 178.231 1.590 10 0 ADAERN OC[C@@H](O)c1cccc(C2CC2)c1 132892525 343907169 /nfs/dbraw/zinc/90/71/69/343907169.db2.gz PPEXUOYLKZCOOV-LLVKDONJSA-N 0 0 178.231 1.590 10 0 ADAERN OC[C@H](O)c1ccc(C2CC2)cc1 132893141 343907221 /nfs/dbraw/zinc/90/72/21/343907221.db2.gz PWGMZUSXCZFBQX-NSHDSACASA-N 0 0 178.231 1.590 10 0 ADAERN OC[C@H](O)c1cccc(C2CC2)c1 132892712 343907273 /nfs/dbraw/zinc/90/72/73/343907273.db2.gz PPEXUOYLKZCOOV-NSHDSACASA-N 0 0 178.231 1.590 10 0 ADAERN CCCCC[C@@](C)(O)CO 132893749 343907281 /nfs/dbraw/zinc/90/72/81/343907281.db2.gz UBNIJVDFUWZODL-MRVPVSSYSA-N 0 0 146.230 1.310 10 0 ADAERN Cc1occc1-c1ncc[nH]1 132914720 343907401 /nfs/dbraw/zinc/90/74/01/343907401.db2.gz ZTBDDQXQRXUSTQ-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN CON[C@@H](C)c1ccncc1 132922631 343907635 /nfs/dbraw/zinc/90/76/35/343907635.db2.gz VOZNKIGRVJKESH-ZETCQYMHSA-N 0 0 152.197 1.294 10 0 ADAERN CON[C@@H](C)c1ccccn1 132923526 343907654 /nfs/dbraw/zinc/90/76/54/343907654.db2.gz BHKSWXJWYRMSBB-ZETCQYMHSA-N 0 0 152.197 1.294 10 0 ADAERN CON[C@H](C)c1ccccn1 132923716 343907692 /nfs/dbraw/zinc/90/76/92/343907692.db2.gz BHKSWXJWYRMSBB-SSDOTTSWSA-N 0 0 152.197 1.294 10 0 ADAERN C[C@@H](CO)Sc1ncccc1N 132935394 343907796 /nfs/dbraw/zinc/90/77/96/343907796.db2.gz IGXHJRQJXWXGCJ-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN C[C@H](CO)Sc1ncccc1N 132935539 343907887 /nfs/dbraw/zinc/90/78/87/343907887.db2.gz IGXHJRQJXWXGCJ-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN CC(C)CNC(=O)c1ncccc1N 132945868 343908132 /nfs/dbraw/zinc/90/81/32/343908132.db2.gz PDNGCBFQBVSISW-UHFFFAOYSA-N 0 0 193.250 1.050 10 0 ADAERN Cc1ccc(/C=C(/[NH3+])C(=O)[O-])cc1 132958015 343908029 /nfs/dbraw/zinc/90/80/29/343908029.db2.gz YXMDFXINVMQGGA-RMKNXTFCSA-N 0 0 177.203 1.379 10 0 ADAERN NN[C@H](c1ccoc1)[C@@H]1CCCCO1 132951728 343908147 /nfs/dbraw/zinc/90/81/47/343908147.db2.gz IWKRLERQAMGCIC-VHSXEESVSA-N 0 0 196.250 1.353 10 0 ADAERN CON[C@@H]1C[C@H](C)CC[C@H]1C 132955321 343908168 /nfs/dbraw/zinc/90/81/68/343908168.db2.gz WFJDIJHQNHYWQE-IWSPIJDZSA-N 0 0 157.257 1.962 10 0 ADAERN CON[C@@H]1C[C@@H](C)CC[C@@H]1C 132955126 343908172 /nfs/dbraw/zinc/90/81/72/343908172.db2.gz WFJDIJHQNHYWQE-XHNCKOQMSA-N 0 0 157.257 1.962 10 0 ADAERN NN[C@H](c1ccoc1)[C@H]1CCCCO1 132952121 343908199 /nfs/dbraw/zinc/90/81/99/343908199.db2.gz IWKRLERQAMGCIC-NXEZZACHSA-N 0 0 196.250 1.353 10 0 ADAERN NN[C@@H](c1ccoc1)[C@H]1CCCCO1 132951926 343908266 /nfs/dbraw/zinc/90/82/66/343908266.db2.gz IWKRLERQAMGCIC-ZJUUUORDSA-N 0 0 196.250 1.353 10 0 ADAERN CON[C@@H]1C[C@H](C)CC[C@@H]1C 132954916 343908270 /nfs/dbraw/zinc/90/82/70/343908270.db2.gz WFJDIJHQNHYWQE-HRDYMLBCSA-N 0 0 157.257 1.962 10 0 ADAERN Nc1c(Cl)cccc1NCCO 132960131 343908277 /nfs/dbraw/zinc/90/82/77/343908277.db2.gz CYPYHOJDOKJEDQ-UHFFFAOYSA-N 0 0 186.642 1.326 10 0 ADAERN CON[C@@H]1C[C@@H](C)CC[C@H]1C 132955551 343908320 /nfs/dbraw/zinc/90/83/20/343908320.db2.gz WFJDIJHQNHYWQE-DJLDLDEBSA-N 0 0 157.257 1.962 10 0 ADAERN CON[C@H]1CCCC[C@H]1C 132958365 343908360 /nfs/dbraw/zinc/90/83/60/343908360.db2.gz BYKUWRUMSDGGGZ-SFYZADRCSA-N 0 0 143.230 1.716 10 0 ADAERN CON[C@H]1CCCC[C@@H]1C 132958585 343908381 /nfs/dbraw/zinc/90/83/81/343908381.db2.gz BYKUWRUMSDGGGZ-YUMQZZPRSA-N 0 0 143.230 1.716 10 0 ADAERN CON[C@@H]1CCCC[C@H]1C 132958782 343908406 /nfs/dbraw/zinc/90/84/06/343908406.db2.gz BYKUWRUMSDGGGZ-HTQZYQBOSA-N 0 0 143.230 1.716 10 0 ADAERN FC(F)CNC1CC=CC1 132951801 343908455 /nfs/dbraw/zinc/90/84/55/343908455.db2.gz YYEZSWKOAXQKRR-UHFFFAOYSA-N 0 0 147.168 1.560 10 0 ADAERN CON[C@@H]1CCCC[C@@H]1C 132958982 343908461 /nfs/dbraw/zinc/90/84/61/343908461.db2.gz BYKUWRUMSDGGGZ-JGVFFNPUSA-N 0 0 143.230 1.716 10 0 ADAERN CON[C@H](C)CCC(C)C 132962666 343908632 /nfs/dbraw/zinc/90/86/32/343908632.db2.gz POOOMYVPWZZOQJ-MRVPVSSYSA-N 0 0 145.246 1.962 10 0 ADAERN CON[C@@H]1CC[C@H](C)C1 132974743 343908698 /nfs/dbraw/zinc/90/86/98/343908698.db2.gz DWSSUOLODHBHSQ-NKWVEPMBSA-N 0 0 129.203 1.326 10 0 ADAERN CON[C@H]1CC[C@H](C)C1 132974360 343908753 /nfs/dbraw/zinc/90/87/53/343908753.db2.gz DWSSUOLODHBHSQ-BQBZGAKWSA-N 0 0 129.203 1.326 10 0 ADAERN CON[C@@H]1CSCC(C)(C)C1 132969122 343908758 /nfs/dbraw/zinc/90/87/58/343908758.db2.gz FQSVMVZGTCYIRV-ZETCQYMHSA-N 0 0 175.297 1.669 10 0 ADAERN COC(=O)CN[C@H](C)C(C)(C)C 132965683 343908765 /nfs/dbraw/zinc/90/87/65/343908765.db2.gz CBIFALQLZDEPFL-SSDOTTSWSA-N 0 0 173.256 1.184 10 0 ADAERN C[C@H]1OCc2scc(N)c21 132972295 343908797 /nfs/dbraw/zinc/90/87/97/343908797.db2.gz VZZYFRCPQHZAKQ-SCSAIBSYSA-N 0 0 155.222 1.922 10 0 ADAERN CON[C@H](C)C1(C)CC1 132965010 343908799 /nfs/dbraw/zinc/90/87/99/343908799.db2.gz NVSTZGVHKSSOCZ-ZCFIWIBFSA-N 0 0 129.203 1.326 10 0 ADAERN C[C@@H]1OCc2scc(N)c21 132972497 343908862 /nfs/dbraw/zinc/90/88/62/343908862.db2.gz VZZYFRCPQHZAKQ-BYPYZUCNSA-N 0 0 155.222 1.922 10 0 ADAERN CON[C@H]1CSCC(C)(C)C1 132969330 343908913 /nfs/dbraw/zinc/90/89/13/343908913.db2.gz FQSVMVZGTCYIRV-SSDOTTSWSA-N 0 0 175.297 1.669 10 0 ADAERN CON[C@@H](C)C1(C)CC1 132964814 343908927 /nfs/dbraw/zinc/90/89/27/343908927.db2.gz NVSTZGVHKSSOCZ-LURJTMIESA-N 0 0 129.203 1.326 10 0 ADAERN CON[C@@H]1CC[C@@H](C)C1 132974542 343908931 /nfs/dbraw/zinc/90/89/31/343908931.db2.gz DWSSUOLODHBHSQ-RNFRBKRXSA-N 0 0 129.203 1.326 10 0 ADAERN CON[C@@H](C)CCC(C)C 132962848 343908947 /nfs/dbraw/zinc/90/89/47/343908947.db2.gz POOOMYVPWZZOQJ-QMMMGPOBSA-N 0 0 145.246 1.962 10 0 ADAERN Nc1csc2c1CCOC2 132973807 343908961 /nfs/dbraw/zinc/90/89/61/343908961.db2.gz DJSZUNPWOFPBAE-UHFFFAOYSA-N 0 0 155.222 1.403 10 0 ADAERN CONCc1cccc(C)c1C 132966076 343909019 /nfs/dbraw/zinc/90/90/19/343909019.db2.gz CAXHAXUCMNJVCQ-UHFFFAOYSA-N 0 0 165.236 1.954 10 0 ADAERN Cc1c(N)csc1C(=O)N(C)C 132969522 343909056 /nfs/dbraw/zinc/90/90/56/343909056.db2.gz OULWNOXTUXADQW-UHFFFAOYSA-N 0 0 184.264 1.341 10 0 ADAERN CCOC(=O)CN[C@H](C)C(C)(C)C 132965223 343909062 /nfs/dbraw/zinc/90/90/62/343909062.db2.gz PEBJMTOCAYAHGO-MRVPVSSYSA-N 0 0 187.283 1.574 10 0 ADAERN COCc1scc(N)c1C 132978078 343909200 /nfs/dbraw/zinc/90/92/00/343909200.db2.gz SRMDDFHTQAVGEE-UHFFFAOYSA-N 0 0 157.238 1.785 10 0 ADAERN CON[C@H]1CC(C)(C)OC1(C)C 132987991 343909201 /nfs/dbraw/zinc/90/92/01/343909201.db2.gz DJIIJYZAVRNWIT-ZETCQYMHSA-N 0 0 173.256 1.484 10 0 ADAERN CC[C@@H]1CN(C(N)=S)CCS1 132975373 343909203 /nfs/dbraw/zinc/90/92/03/343909203.db2.gz XYBKPJJERCQGJV-ZCFIWIBFSA-N 0 0 190.337 1.057 10 0 ADAERN CC[C@H]1CN(C(N)=S)CCS1 132975566 343909204 /nfs/dbraw/zinc/90/92/04/343909204.db2.gz XYBKPJJERCQGJV-LURJTMIESA-N 0 0 190.337 1.057 10 0 ADAERN CON[C@H](C)c1nc(C)sc1C 132980822 343909216 /nfs/dbraw/zinc/90/92/16/343909216.db2.gz IADBUHNPGSBWHA-RXMQYKEDSA-N 0 0 186.280 1.972 10 0 ADAERN CON[C@@H]1CCC[C@@H]1C 132986309 343909221 /nfs/dbraw/zinc/90/92/21/343909221.db2.gz YCUYWWYNVQQRAB-NKWVEPMBSA-N 0 0 129.203 1.326 10 0 ADAERN Cc1ccc([C@@H](NN)c2ccoc2)o1 132977744 343909224 /nfs/dbraw/zinc/90/92/24/343909224.db2.gz CDIHSBKGLAPNHY-JTQLQIEISA-N 0 0 192.218 1.734 10 0 ADAERN Cc1ccc([C@H](NN)c2ccoc2)o1 132977534 343909246 /nfs/dbraw/zinc/90/92/46/343909246.db2.gz CDIHSBKGLAPNHY-SNVBAGLBSA-N 0 0 192.218 1.734 10 0 ADAERN CON[C@@H](C)c1nc(C)sc1C 132981038 343909278 /nfs/dbraw/zinc/90/92/78/343909278.db2.gz IADBUHNPGSBWHA-YFKPBYRVSA-N 0 0 186.280 1.972 10 0 ADAERN CON[C@@H]1CCC[C@H]1C 132986086 343909282 /nfs/dbraw/zinc/90/92/82/343909282.db2.gz YCUYWWYNVQQRAB-RNFRBKRXSA-N 0 0 129.203 1.326 10 0 ADAERN CON[C@H]1CCC[C@H]1C 132985681 343909295 /nfs/dbraw/zinc/90/92/95/343909295.db2.gz YCUYWWYNVQQRAB-RQJHMYQMSA-N 0 0 129.203 1.326 10 0 ADAERN Nc1cscc1[C@@H]1CCOC1 132980173 343909344 /nfs/dbraw/zinc/90/93/44/343909344.db2.gz YRBITEHHNZYPAI-ZCFIWIBFSA-N 0 0 169.249 1.834 10 0 ADAERN CON[C@@H]1CCC(C)(C)C1 132989290 343909367 /nfs/dbraw/zinc/90/93/67/343909367.db2.gz JFSHCQYAXZQORQ-SSDOTTSWSA-N 0 0 143.230 1.716 10 0 ADAERN CONC1CCCCCC1 132979330 343909479 /nfs/dbraw/zinc/90/94/79/343909479.db2.gz XBOGVUOKKXQZHS-UHFFFAOYSA-N 0 0 143.230 1.860 10 0 ADAERN CONCc1cc(C)n(C)c1C 132983586 343909430 /nfs/dbraw/zinc/90/94/30/343909430.db2.gz SQUFQJKWVNHMMI-UHFFFAOYSA-N 0 0 168.240 1.293 10 0 ADAERN CON[C@H]1CCC(C)(C)C1 132989167 343909451 /nfs/dbraw/zinc/90/94/51/343909451.db2.gz JFSHCQYAXZQORQ-ZETCQYMHSA-N 0 0 143.230 1.716 10 0 ADAERN Nc1cscc1[C@H]1CCOC1 132980362 343909469 /nfs/dbraw/zinc/90/94/69/343909469.db2.gz YRBITEHHNZYPAI-LURJTMIESA-N 0 0 169.249 1.834 10 0 ADAERN CON[C@H]1CCC[C@@H]1C 132985895 343909548 /nfs/dbraw/zinc/90/95/48/343909548.db2.gz YCUYWWYNVQQRAB-BQBZGAKWSA-N 0 0 129.203 1.326 10 0 ADAERN CON[C@@H]1CC(C)(C)OC1(C)C 132988175 343909565 /nfs/dbraw/zinc/90/95/65/343909565.db2.gz DJIIJYZAVRNWIT-SSDOTTSWSA-N 0 0 173.256 1.484 10 0 ADAERN CON[C@@H]1CCCS[C@H]1C 133011926 343909691 /nfs/dbraw/zinc/90/96/91/343909691.db2.gz PBKRTSDZWQOXGI-NKWVEPMBSA-N 0 0 161.270 1.422 10 0 ADAERN CON[C@@H]1CCCS[C@@H]1C 133011697 343909728 /nfs/dbraw/zinc/90/97/28/343909728.db2.gz PBKRTSDZWQOXGI-RNFRBKRXSA-N 0 0 161.270 1.422 10 0 ADAERN CC[C@H]1CN(C#N)CCS1 133015464 343909765 /nfs/dbraw/zinc/90/97/65/343909765.db2.gz XSUFNZJRSWVRQM-ZETCQYMHSA-N 0 0 156.254 1.295 10 0 ADAERN CON[C@H]1CCCc2occc21 133003531 343909773 /nfs/dbraw/zinc/90/97/73/343909773.db2.gz VZSCJHZNVNDIEO-QMMMGPOBSA-N 0 0 167.208 1.808 10 0 ADAERN CON[C@@H](C)c1cccc(O)c1 133015440 343909824 /nfs/dbraw/zinc/90/98/24/343909824.db2.gz AUAQMZKQQYWKQQ-ZETCQYMHSA-N 0 0 167.208 1.604 10 0 ADAERN CON[C@H]1CCCS[C@@H]1C 133012112 343909839 /nfs/dbraw/zinc/90/98/39/343909839.db2.gz PBKRTSDZWQOXGI-RQJHMYQMSA-N 0 0 161.270 1.422 10 0 ADAERN CON[C@H](C)c1cccc(O)c1 133015658 343909845 /nfs/dbraw/zinc/90/98/45/343909845.db2.gz AUAQMZKQQYWKQQ-SSDOTTSWSA-N 0 0 167.208 1.604 10 0 ADAERN CON[C@@H]1CS[C@H](C)C1 133001569 343909856 /nfs/dbraw/zinc/90/98/56/343909856.db2.gz CTYHODKYXRETEO-RITPCOANSA-N 0 0 147.243 1.031 10 0 ADAERN CON[C@H]1CS[C@H](C)C1 133001942 343909874 /nfs/dbraw/zinc/90/98/74/343909874.db2.gz CTYHODKYXRETEO-PHDIDXHHSA-N 0 0 147.243 1.031 10 0 ADAERN CON[C@@H]1CC[C@@H](C)C[C@H]1C 133009908 343909909 /nfs/dbraw/zinc/90/99/09/343909909.db2.gz SYDLXEHSKOEWOV-IWSPIJDZSA-N 0 0 157.257 1.962 10 0 ADAERN CON[C@@H]1CS[C@@H](C)C1 133001757 343909915 /nfs/dbraw/zinc/90/99/15/343909915.db2.gz CTYHODKYXRETEO-WDSKDSINSA-N 0 0 147.243 1.031 10 0 ADAERN CONCC1CCC(C)CC1 133000353 343909936 /nfs/dbraw/zinc/90/99/36/343909936.db2.gz SILIKBZXZKOBMU-UHFFFAOYSA-N 0 0 157.257 1.964 10 0 ADAERN CON[C@H]1CS[C@@H](C)C1 133002126 343909944 /nfs/dbraw/zinc/90/99/44/343909944.db2.gz CTYHODKYXRETEO-NTSWFWBYSA-N 0 0 147.243 1.031 10 0 ADAERN CON[C@@H]1CCCc2occc21 133003333 343909954 /nfs/dbraw/zinc/90/99/54/343909954.db2.gz VZSCJHZNVNDIEO-MRVPVSSYSA-N 0 0 167.208 1.808 10 0 ADAERN CC[C@@H]1CN(C#N)CCS1 133015232 343910018 /nfs/dbraw/zinc/91/00/18/343910018.db2.gz XSUFNZJRSWVRQM-SSDOTTSWSA-N 0 0 156.254 1.295 10 0 ADAERN CON[C@@H]1CC[C@H](C)C[C@H]1C 133010086 343910069 /nfs/dbraw/zinc/91/00/69/343910069.db2.gz SYDLXEHSKOEWOV-DJLDLDEBSA-N 0 0 157.257 1.962 10 0 ADAERN CON[C@H]1CCCS[C@H]1C 133012303 343910079 /nfs/dbraw/zinc/91/00/79/343910079.db2.gz PBKRTSDZWQOXGI-BQBZGAKWSA-N 0 0 161.270 1.422 10 0 ADAERN CC[C@@H](O)[C@H](OC)C(C)C 133017900 343910536 /nfs/dbraw/zinc/91/05/36/343910536.db2.gz ALBCFPDXHSICMI-HTQZYQBOSA-N 0 0 146.230 1.428 10 0 ADAERN CC[C@@H](O)[C@@H](OC)C(C)C 133018251 343910334 /nfs/dbraw/zinc/91/03/34/343910334.db2.gz ALBCFPDXHSICMI-SFYZADRCSA-N 0 0 146.230 1.428 10 0 ADAERN CON[C@@H]1CCO[C@@H](C(C)C)C1 133020288 343910317 /nfs/dbraw/zinc/91/03/17/343910317.db2.gz RTKHAWXNEPMUSW-RKDXNWHRSA-N 0 0 173.256 1.341 10 0 ADAERN CON[C@@H]1CCO[C@H](C(C)C)C1 133020123 343910387 /nfs/dbraw/zinc/91/03/87/343910387.db2.gz RTKHAWXNEPMUSW-BDAKNGLRSA-N 0 0 173.256 1.341 10 0 ADAERN CC[C@H](NOC)C(C)C 133017613 343910414 /nfs/dbraw/zinc/91/04/14/343910414.db2.gz CIOUMASPCHPCOH-ZETCQYMHSA-N 0 0 131.219 1.572 10 0 ADAERN CONC[C@H]1CC=CCC1 133030422 343910427 /nfs/dbraw/zinc/91/04/27/343910427.db2.gz UUDGCLOBPXCZMI-QMMMGPOBSA-N 0 0 141.214 1.494 10 0 ADAERN CCc1cnccc1C(=N)OC 133021085 343910479 /nfs/dbraw/zinc/91/04/79/343910479.db2.gz CZWLYXRHNYSTBL-UHFFFAOYSA-N 0 0 164.208 1.616 10 0 ADAERN CON[C@H]1CCO[C@@H](C(C)C)C1 133020688 343910483 /nfs/dbraw/zinc/91/04/83/343910483.db2.gz RTKHAWXNEPMUSW-DTWKUNHWSA-N 0 0 173.256 1.341 10 0 ADAERN CC[C@@H](NOC)C(C)C 133017747 343910529 /nfs/dbraw/zinc/91/05/29/343910529.db2.gz CIOUMASPCHPCOH-SSDOTTSWSA-N 0 0 131.219 1.572 10 0 ADAERN CC[C@H](O)[C@H](OC)C(C)C 133017727 343910544 /nfs/dbraw/zinc/91/05/44/343910544.db2.gz ALBCFPDXHSICMI-JGVFFNPUSA-N 0 0 146.230 1.428 10 0 ADAERN CC[C@H](O)[C@@H](OC)C(C)C 133018094 343910609 /nfs/dbraw/zinc/91/06/09/343910609.db2.gz ALBCFPDXHSICMI-YUMQZZPRSA-N 0 0 146.230 1.428 10 0 ADAERN CON[C@H]1CCO[C@H](C(C)C)C1 133020509 343910620 /nfs/dbraw/zinc/91/06/20/343910620.db2.gz RTKHAWXNEPMUSW-IUCAKERBSA-N 0 0 173.256 1.341 10 0 ADAERN CONC[C@@H]1CC=CCC1 133030631 343910654 /nfs/dbraw/zinc/91/06/54/343910654.db2.gz UUDGCLOBPXCZMI-MRVPVSSYSA-N 0 0 141.214 1.494 10 0 ADAERN CCON[C@H]1CCSC1 133055377 343910890 /nfs/dbraw/zinc/91/08/90/343910890.db2.gz ZGNJLNZIKHFSPV-LURJTMIESA-N 0 0 147.243 1.033 10 0 ADAERN CCON[C@@H]1CCSC1 133055184 343910924 /nfs/dbraw/zinc/91/09/24/343910924.db2.gz ZGNJLNZIKHFSPV-ZCFIWIBFSA-N 0 0 147.243 1.033 10 0 ADAERN CCON[C@H](C)C1CC1 133044997 343910961 /nfs/dbraw/zinc/91/09/61/343910961.db2.gz RGAGICSTDXCFNH-ZCFIWIBFSA-N 0 0 129.203 1.326 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@H](NN)c1ccco1 133037667 343911084 /nfs/dbraw/zinc/91/10/84/343911084.db2.gz XIOOUWFWBHIFFW-XKSSXDPKSA-N 0 0 196.250 1.209 10 0 ADAERN COC(C)(C)CNc1cccnn1 133040178 343911148 /nfs/dbraw/zinc/91/11/48/343911148.db2.gz OJRPRKCRNMNPOC-UHFFFAOYSA-N 0 0 181.239 1.314 10 0 ADAERN CCON[C@@H](C)C1CC1 133044798 343911155 /nfs/dbraw/zinc/91/11/55/343911155.db2.gz RGAGICSTDXCFNH-LURJTMIESA-N 0 0 129.203 1.326 10 0 ADAERN CCON[C@@H]1CCCOCC1 133100821 343911912 /nfs/dbraw/zinc/91/19/12/343911912.db2.gz QCDHHMAEVRJPFL-MRVPVSSYSA-N 0 0 159.229 1.097 10 0 ADAERN CCON[C@H]1CCCOCC1 133101011 343911976 /nfs/dbraw/zinc/91/19/76/343911976.db2.gz QCDHHMAEVRJPFL-QMMMGPOBSA-N 0 0 159.229 1.097 10 0 ADAERN CC(C)CONC1CCC1 133125890 343912066 /nfs/dbraw/zinc/91/20/66/343912066.db2.gz GVZNIZFAFWMEKJ-UHFFFAOYSA-N 0 0 143.230 1.716 10 0 ADAERN CCONC1C[C@H](C)O[C@@H](C)C1 133095427 343912156 /nfs/dbraw/zinc/91/21/56/343912156.db2.gz BNOLFWMHNPXSKC-YUMQZZPRSA-N 0 0 173.256 1.484 10 0 ADAERN CCONC1C[C@@H](C)O[C@H](C)C1 133095213 343912258 /nfs/dbraw/zinc/91/22/58/343912258.db2.gz BNOLFWMHNPXSKC-HTQZYQBOSA-N 0 0 173.256 1.484 10 0 ADAERN CC(C)CON=C1CCCCN1 133170216 343912474 /nfs/dbraw/zinc/91/24/74/343912474.db2.gz UKCCOQWLXSEHQO-UHFFFAOYSA-N 0 0 170.256 1.746 10 0 ADAERN CC(C)CONCCCF 133164973 343912497 /nfs/dbraw/zinc/91/24/97/343912497.db2.gz VPNHRRUNIPAUKY-UHFFFAOYSA-N 0 0 149.209 1.523 10 0 ADAERN FC(F)(F)CON=C1CCCN1 133186478 343912513 /nfs/dbraw/zinc/91/25/13/343912513.db2.gz ACJCXPXHSCNEHU-UHFFFAOYSA-N 0 0 182.145 1.262 10 0 ADAERN CCCNc1ccnc(OC)c1 133160164 343912520 /nfs/dbraw/zinc/91/25/20/343912520.db2.gz DDJIMOMIWFTKCR-UHFFFAOYSA-N 0 0 166.224 1.912 10 0 ADAERN COc1cc(NC(C)C)ccn1 133160391 343912533 /nfs/dbraw/zinc/91/25/33/343912533.db2.gz WPWQNXBRHOYJRD-UHFFFAOYSA-N 0 0 166.224 1.911 10 0 ADAERN CC(C)CON=C1CCCN1 133170494 343912679 /nfs/dbraw/zinc/91/26/79/343912679.db2.gz MKYOYFJIQURNKQ-UHFFFAOYSA-N 0 0 156.229 1.356 10 0 ADAERN COc1cc(NC2CC2)ccn1 133161225 343912706 /nfs/dbraw/zinc/91/27/06/343912706.db2.gz SGBNVWXGZHHCPA-UHFFFAOYSA-N 0 0 164.208 1.665 10 0 ADAERN CC(C)CONCCF 133168682 343912744 /nfs/dbraw/zinc/91/27/44/343912744.db2.gz CBIOQGJYNSFPQS-UHFFFAOYSA-N 0 0 135.182 1.133 10 0 ADAERN CC(C)(C)C[C@H]1NC(=S)NC1=O 133209441 343912965 /nfs/dbraw/zinc/91/29/65/343912965.db2.gz RMPJDEFJMMKDPE-RXMQYKEDSA-N 0 0 186.280 1.207 10 0 ADAERN O=C1NC(=S)N[C@H]1[C@H]1CC=CCC1 133207071 343912969 /nfs/dbraw/zinc/91/29/69/343912969.db2.gz QKXXQWBGPCJGEQ-BQBZGAKWSA-N 0 0 196.275 1.127 10 0 ADAERN COc1cc(NC2CC(O)C2)ccn1 133214592 343912976 /nfs/dbraw/zinc/91/29/76/343912976.db2.gz PQPMABHDJYVEPU-UHFFFAOYSA-N 0 0 194.234 1.025 10 0 ADAERN C[C@H]1CCC[C@]2(C1)NC(=S)NC2=O 133221495 343913021 /nfs/dbraw/zinc/91/30/21/343913021.db2.gz MNJFSUYDEORVKW-IMTBSYHQSA-N 0 0 198.291 1.351 10 0 ADAERN CC(C)(C)C[C@@H]1NC(=S)NC1=O 133209681 343913035 /nfs/dbraw/zinc/91/30/35/343913035.db2.gz RMPJDEFJMMKDPE-YFKPBYRVSA-N 0 0 186.280 1.207 10 0 ADAERN O=C1NC(=S)N[C@@H]1[C@@H]1CC=CCC1 133206483 343913083 /nfs/dbraw/zinc/91/30/83/343913083.db2.gz QKXXQWBGPCJGEQ-RNFRBKRXSA-N 0 0 196.275 1.127 10 0 ADAERN O=C1NC(=S)N[C@H]1C1CCCCC1 133208359 343913105 /nfs/dbraw/zinc/91/31/05/343913105.db2.gz PLLZGNUEDYIHGF-ZETCQYMHSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@H]1CC[C@@]2(C1)NC(=S)NC2=O 133230136 343913113 /nfs/dbraw/zinc/91/31/13/343913113.db2.gz QQOZJLDPXKWCMW-RCOVLWMOSA-N 0 0 198.291 1.351 10 0 ADAERN COc1cc(N[C@@H]2C[C@@H]2C)ccn1 133194676 343913150 /nfs/dbraw/zinc/91/31/50/343913150.db2.gz URWROEYCLPPAKV-IONNQARKSA-N 0 0 178.235 1.911 10 0 ADAERN O=C1NC(=S)N[C@@H]1C1CCCCC1 133208137 343913162 /nfs/dbraw/zinc/91/31/62/343913162.db2.gz PLLZGNUEDYIHGF-SSDOTTSWSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@H]1CC[C@]2(C1)NC(=S)NC2=O 133229729 343913188 /nfs/dbraw/zinc/91/31/88/343913188.db2.gz QQOZJLDPXKWCMW-IMTBSYHQSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@@H]1CC[C@@]2(C1)NC(=S)NC2=O 133229919 343913194 /nfs/dbraw/zinc/91/31/94/343913194.db2.gz QQOZJLDPXKWCMW-MUWHJKNJSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@@H]1CC[C@]2(C1)NC(=S)NC2=O 133229511 343913199 /nfs/dbraw/zinc/91/31/99/343913199.db2.gz QQOZJLDPXKWCMW-HZGVNTEJSA-N 0 0 198.291 1.351 10 0 ADAERN O=C1NC(=S)N[C@H]1[C@@H]1CC=CCC1 133206883 343913238 /nfs/dbraw/zinc/91/32/38/343913238.db2.gz 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/nfs/dbraw/zinc/91/54/09/343915409.db2.gz KDTYGTBUUMLARI-APPZFPTMSA-N 0 0 184.260 1.745 10 0 ADAERN CCC[C@]1(O)CCO[C@H]1C 133286795 343915412 /nfs/dbraw/zinc/91/54/12/343915412.db2.gz RSJUUXBAAYIMTA-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H](CNc1nncs1)C1CC1 133298689 343915415 /nfs/dbraw/zinc/91/54/15/343915415.db2.gz GCPPEPIZFBFFKZ-LURJTMIESA-N 0 0 183.280 1.996 10 0 ADAERN CC(C)[C@@]1(O)CCO[C@@H]1C 133287572 343915417 /nfs/dbraw/zinc/91/54/17/343915417.db2.gz YTASFTPECCYMAD-SFYZADRCSA-N 0 0 144.214 1.182 10 0 ADAERN CCC[C@@]1(O)CCO[C@@H]1C 133286612 343915424 /nfs/dbraw/zinc/91/54/24/343915424.db2.gz RSJUUXBAAYIMTA-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@@H]1OCC[C@]1(O)c1ccsc1 133297505 343915433 /nfs/dbraw/zinc/91/54/33/343915433.db2.gz KDTYGTBUUMLARI-IONNQARKSA-N 0 0 184.260 1.745 10 0 ADAERN C[C@H]1OCC[C@]1(O)C1CCCC1 133302707 343915440 /nfs/dbraw/zinc/91/54/40/343915440.db2.gz ZERZAFMLOSTVDB-PSASIEDQSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@H]1OCC[C@]1(O)Cc1ccccc1 133301895 343915444 /nfs/dbraw/zinc/91/54/44/343915444.db2.gz FKYAJBGCCFOIPB-PWSUYJOCSA-N 0 0 192.258 1.769 10 0 ADAERN C[C@H]1OCC[C@]1(O)C(F)(F)F 133307680 343915487 /nfs/dbraw/zinc/91/54/87/343915487.db2.gz XIUPFPAKLRXXBB-RFZPGFLSSA-N 0 0 170.130 1.089 10 0 ADAERN CC(C)[C@]1(O)CCO[C@@H]1C 133287211 343915464 /nfs/dbraw/zinc/91/54/64/343915464.db2.gz YTASFTPECCYMAD-HTQZYQBOSA-N 0 0 144.214 1.182 10 0 ADAERN CC[C@H](C)C[C@@]1(O)CCO[C@@H]1C 133298337 343915467 /nfs/dbraw/zinc/91/54/67/343915467.db2.gz POJLZFROPVDNKP-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H]1OCC[C@]1(O)c1ccco1 133289160 343915496 /nfs/dbraw/zinc/91/54/96/343915496.db2.gz IADGOBZIKSFNCQ-VXNVDRBHSA-N 0 0 168.192 1.276 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)C1CCCC1 133302504 343915509 /nfs/dbraw/zinc/91/55/09/343915509.db2.gz ZERZAFMLOSTVDB-WPRPVWTQSA-N 0 0 170.252 1.717 10 0 ADAERN CN[C@]1(C(F)(F)F)CCO[C@@H]1C 133334630 343916236 /nfs/dbraw/zinc/91/62/36/343916236.db2.gz UVMRSIJZGAPPEF-PHDIDXHHSA-N 0 0 183.173 1.316 10 0 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1.130 10 0 ADAERN COC(=O)/C=C1/CS[C@@H](C)C1 133853873 343928308 /nfs/dbraw/zinc/92/83/08/343928308.db2.gz ARBOZQYNJQACGV-PDKRUMACSA-N 0 0 172.249 1.611 10 0 ADAERN Cc1cccc(C[C@@H]2CCNC2=O)c1 133881305 343928573 /nfs/dbraw/zinc/92/85/73/343928573.db2.gz QJSQLPFYWHACEL-NSHDSACASA-N 0 0 189.258 1.674 10 0 ADAERN O=C1NCC[C@H]1C[C@@H]1CCCCO1 133862296 343928609 /nfs/dbraw/zinc/92/86/09/343928609.db2.gz RRJJBVGEVBANPW-IUCAKERBSA-N 0 0 183.251 1.082 10 0 ADAERN CCC(CC)[C@@H]1CCNC1=O 133873081 343928619 /nfs/dbraw/zinc/92/86/19/343928619.db2.gz DCKLMXSDBPJJJJ-QMMMGPOBSA-N 0 0 155.241 1.559 10 0 ADAERN O=C1NCC[C@H]1CCc1ccncc1 133885927 343928629 /nfs/dbraw/zinc/92/86/29/343928629.db2.gz MMEKRIZEPBBNJS-SNVBAGLBSA-N 0 0 190.246 1.150 10 0 ADAERN Cc1ccccc1C[C@@H]1CCNC1=O 133886321 343928656 /nfs/dbraw/zinc/92/86/56/343928656.db2.gz VYXVJIUQUPRHDE-NSHDSACASA-N 0 0 189.258 1.674 10 0 ADAERN CC[C@H](C)C(=O)N1CCCC(=O)C1 133858729 343928684 /nfs/dbraw/zinc/92/86/84/343928684.db2.gz FRMRRJMKKORRTA-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN O=C1NCC[C@@H]1C[C@@H]1CCCCO1 133862724 343928687 /nfs/dbraw/zinc/92/86/87/343928687.db2.gz RRJJBVGEVBANPW-BDAKNGLRSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1NCC[C@@H]1CCc1cccs1 133872114 343928717 /nfs/dbraw/zinc/92/87/17/343928717.db2.gz MXXCEWQBQAEGFL-QMMMGPOBSA-N 0 0 195.287 1.817 10 0 ADAERN Cc1ccccc1C[C@H]1CCNC1=O 133886524 343928725 /nfs/dbraw/zinc/92/87/25/343928725.db2.gz VYXVJIUQUPRHDE-LLVKDONJSA-N 0 0 189.258 1.674 10 0 ADAERN O=C1NCC[C@H]1C[C@H]1CCCCO1 133862513 343928735 /nfs/dbraw/zinc/92/87/35/343928735.db2.gz RRJJBVGEVBANPW-DTWKUNHWSA-N 0 0 183.251 1.082 10 0 ADAERN CCC(CC)[C@H]1CCNC1=O 133873251 343928757 /nfs/dbraw/zinc/92/87/57/343928757.db2.gz DCKLMXSDBPJJJJ-MRVPVSSYSA-N 0 0 155.241 1.559 10 0 ADAERN O=C1NCC[C@@H]1CCC(F)(F)F 133884875 343928778 /nfs/dbraw/zinc/92/87/78/343928778.db2.gz RPELABHJSGGHLR-YFKPBYRVSA-N 0 0 181.157 1.465 10 0 ADAERN C/C=C/C[C@H]1CCNC1=O 133876105 343928787 /nfs/dbraw/zinc/92/87/87/343928787.db2.gz QRXVIYJUHPFDOW-AIYRYJHASA-N 0 0 139.198 1.089 10 0 ADAERN CC(C)Oc1cc(N)ccc1N 133865501 343928789 /nfs/dbraw/zinc/92/87/89/343928789.db2.gz ZBHRMUJBIBUTLB-UHFFFAOYSA-N 0 0 166.224 1.638 10 0 ADAERN O=C1NCC[C@@H]1CCC1CC1 133861279 343928803 /nfs/dbraw/zinc/92/88/03/343928803.db2.gz WJZJFYAREVXYOK-QMMMGPOBSA-N 0 0 153.225 1.313 10 0 ADAERN COC(=O)/C=C1/CCC[C@H]1C 133880964 343928808 /nfs/dbraw/zinc/92/88/08/343928808.db2.gz DIWFHTIVTZYNQC-QHRPWQPMSA-N 0 0 154.209 1.906 10 0 ADAERN Cc1nc(C[C@@H]2CCNC2=O)cs1 133903223 343928979 /nfs/dbraw/zinc/92/89/79/343928979.db2.gz IYSAIIAJTIRTGT-ZETCQYMHSA-N 0 0 196.275 1.130 10 0 ADAERN CC(C)=CC[C@H]1CCNC1=O 133901758 343929001 /nfs/dbraw/zinc/92/90/01/343929001.db2.gz HGKMAARICXMHEQ-QMMMGPOBSA-N 0 0 153.225 1.479 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]2CCNC2=O)C1 133897305 343929013 /nfs/dbraw/zinc/92/90/13/343929013.db2.gz ILWBKPSZWVYYOG-UTLUCORTSA-N 0 0 181.279 1.949 10 0 ADAERN O=C1NCC[C@H]1CCc1ccsc1 133890114 343929044 /nfs/dbraw/zinc/92/90/44/343929044.db2.gz VHNLQNHIIOGYEC-SECBINFHSA-N 0 0 195.287 1.817 10 0 ADAERN Cc1cccnc1C[C@@H]1CCNC1=O 133896878 343929064 /nfs/dbraw/zinc/92/90/64/343929064.db2.gz JAOJOXWIGDUVLJ-VIFPVBQESA-N 0 0 190.246 1.069 10 0 ADAERN C[C@@H](O)CC[C@H]1CCCC1=O 133910195 343929084 /nfs/dbraw/zinc/92/90/84/343929084.db2.gz MWAVBMSKQQYONP-HTQZYQBOSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H]2CCNC2=O)C1 133897751 343929089 /nfs/dbraw/zinc/92/90/89/343929089.db2.gz ILWBKPSZWVYYOG-BBBLOLIVSA-N 0 0 181.279 1.949 10 0 ADAERN O=C1NCC[C@H]1CC1CCC1 133902414 343929093 /nfs/dbraw/zinc/92/90/93/343929093.db2.gz OFNFIZAOBQMABB-QMMMGPOBSA-N 0 0 153.225 1.313 10 0 ADAERN O=C1NCC[C@H]1Cc1ccc(O)cc1 133896010 343929114 /nfs/dbraw/zinc/92/91/14/343929114.db2.gz CYVQUGQERLVXFP-VIFPVBQESA-N 0 0 191.230 1.071 10 0 ADAERN Cc1cccnc1C[C@H]1CCNC1=O 133897091 343929130 /nfs/dbraw/zinc/92/91/30/343929130.db2.gz JAOJOXWIGDUVLJ-SECBINFHSA-N 0 0 190.246 1.069 10 0 ADAERN O=C1NCC[C@@H]1Cc1ccc(O)cc1 133896224 343929132 /nfs/dbraw/zinc/92/91/32/343929132.db2.gz CYVQUGQERLVXFP-SECBINFHSA-N 0 0 191.230 1.071 10 0 ADAERN CC(C)=CC[C@@H]1CCNC1=O 133901593 343929207 /nfs/dbraw/zinc/92/92/07/343929207.db2.gz HGKMAARICXMHEQ-MRVPVSSYSA-N 0 0 153.225 1.479 10 0 ADAERN O=C1NCC[C@@H]1CCc1ccsc1 133890306 343929230 /nfs/dbraw/zinc/92/92/30/343929230.db2.gz VHNLQNHIIOGYEC-VIFPVBQESA-N 0 0 195.287 1.817 10 0 ADAERN CC(C)[C@@H](C)C(=O)N1CCCC(=O)C1 133893597 343929237 /nfs/dbraw/zinc/92/92/37/343929237.db2.gz KHOZGUDTQBOHRK-SECBINFHSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@H](O)CC[C@@H]1CCCC1=O 133909637 343929251 /nfs/dbraw/zinc/92/92/51/343929251.db2.gz MWAVBMSKQQYONP-YUMQZZPRSA-N 0 0 156.225 1.517 10 0 ADAERN CONCc1nc2ccccc2n1C 133893163 343929258 /nfs/dbraw/zinc/92/92/58/343929258.db2.gz FYZFWVRSKZAFPL-UHFFFAOYSA-N 0 0 191.234 1.224 10 0 ADAERN Cc1nc(C[C@H]2CCNC2=O)cs1 133903443 343929261 /nfs/dbraw/zinc/92/92/61/343929261.db2.gz IYSAIIAJTIRTGT-SSDOTTSWSA-N 0 0 196.275 1.130 10 0 ADAERN CC(C)(C)CC(=O)N1CCCC(=O)C1 133896090 343929269 /nfs/dbraw/zinc/92/92/69/343929269.db2.gz OXLYKQQNGFYYGQ-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN O=C1NCCCC[C@H]1CC(F)F 133978687 343930478 /nfs/dbraw/zinc/93/04/78/343930478.db2.gz QQKHVAILLDMTAK-LURJTMIESA-N 0 0 177.194 1.558 10 0 ADAERN COc1ccc(NN(C)C)c(N)c1 133925288 343929456 /nfs/dbraw/zinc/92/94/56/343929456.db2.gz KFKGXDKDIGGCAA-UHFFFAOYSA-N 0 0 181.239 1.166 10 0 ADAERN Cc1nnc([C@@H](N)c2cccs2)[nH]1 133916635 343929487 /nfs/dbraw/zinc/92/94/87/343929487.db2.gz NIOGNZRCXDCFCK-ZETCQYMHSA-N 0 0 194.263 1.223 10 0 ADAERN Cc1ccc(NN(C)C)cc1N 133926119 343929515 /nfs/dbraw/zinc/92/95/15/343929515.db2.gz DCFOJKFIMORWHB-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN Cc1nnc([C@H](N)c2cccs2)[nH]1 133916438 343929530 /nfs/dbraw/zinc/92/95/30/343929530.db2.gz NIOGNZRCXDCFCK-SSDOTTSWSA-N 0 0 194.263 1.223 10 0 ADAERN Cc1csc(C[C@H]2CCNC2=O)n1 133917183 343929551 /nfs/dbraw/zinc/92/95/51/343929551.db2.gz ZFFDCQIPZGBNTA-SSDOTTSWSA-N 0 0 196.275 1.130 10 0 ADAERN CN(C)Nc1ccc(Cl)cc1N 133929392 343929569 /nfs/dbraw/zinc/92/95/69/343929569.db2.gz LSUPWUICDILXTK-UHFFFAOYSA-N 0 0 185.658 1.811 10 0 ADAERN Cc1cccc(N)c1NN(C)C 133936406 343929571 /nfs/dbraw/zinc/92/95/71/343929571.db2.gz XVDZZHTUYLOWFW-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN Cc1cc(NN(C)C)ccc1N 133925896 343929575 /nfs/dbraw/zinc/92/95/75/343929575.db2.gz QDCBRUUPRNAKKT-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN Cc1c(N)cccc1NN(C)C 133933795 343929577 /nfs/dbraw/zinc/92/95/77/343929577.db2.gz BLBZCAZDKFTWAT-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN O=C1NCC[C@@H]1CC[C@@H]1CCCO1 133918050 343929588 /nfs/dbraw/zinc/92/95/88/343929588.db2.gz IXBXMEZIRZNYSJ-IUCAKERBSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1NCC[C@@H]1CC[C@H]1CCCO1 133917848 343929629 /nfs/dbraw/zinc/92/96/29/343929629.db2.gz IXBXMEZIRZNYSJ-DTWKUNHWSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1NCCCC[C@H]1CC(F)(F)F 133932692 343929643 /nfs/dbraw/zinc/92/96/43/343929643.db2.gz SPLFSGLZIWLCIG-LURJTMIESA-N 0 0 195.184 1.855 10 0 ADAERN O=C1NCC[C@H]1CC[C@H]1CCCO1 133917423 343929656 /nfs/dbraw/zinc/92/96/56/343929656.db2.gz IXBXMEZIRZNYSJ-RKDXNWHRSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@H](O)CC[C@H]1CSCC1=O 133920535 343929662 /nfs/dbraw/zinc/92/96/62/343929662.db2.gz ZRISGPGGINARID-BQBZGAKWSA-N 0 0 174.265 1.080 10 0 ADAERN O=C1NCC[C@H]1CC[C@@H]1CCCO1 133917619 343929664 /nfs/dbraw/zinc/92/96/64/343929664.db2.gz IXBXMEZIRZNYSJ-BDAKNGLRSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@H](O)CC[C@@H]1CSCC1=O 133920347 343929667 /nfs/dbraw/zinc/92/96/67/343929667.db2.gz ZRISGPGGINARID-RNFRBKRXSA-N 0 0 174.265 1.080 10 0 ADAERN O=C1NCCCC[C@@H]1CC(F)(F)F 133932912 343929677 /nfs/dbraw/zinc/92/96/77/343929677.db2.gz SPLFSGLZIWLCIG-ZCFIWIBFSA-N 0 0 195.184 1.855 10 0 ADAERN CN(C)Nc1ccc(F)cc1N 133925081 343929686 /nfs/dbraw/zinc/92/96/86/343929686.db2.gz NAVXLVQFLVOYHJ-UHFFFAOYSA-N 0 0 169.203 1.296 10 0 ADAERN Cc1csc(C[C@@H]2CCNC2=O)n1 133917021 343929691 /nfs/dbraw/zinc/92/96/91/343929691.db2.gz ZFFDCQIPZGBNTA-ZETCQYMHSA-N 0 0 196.275 1.130 10 0 ADAERN Cc1cc(N)ccc1NN(C)C 133934233 343929700 /nfs/dbraw/zinc/92/97/00/343929700.db2.gz YTBVIECXMOJNAA-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN COc1cc(N)cc(NN(C)C)c1 133932158 343929704 /nfs/dbraw/zinc/92/97/04/343929704.db2.gz HZCPYTZAGCFRMX-UHFFFAOYSA-N 0 0 181.239 1.166 10 0 ADAERN Cc1nc(N(C)C2CC2)ccc1CO 133921586 343929716 /nfs/dbraw/zinc/92/97/16/343929716.db2.gz ZYHHXZFXCLELLD-UHFFFAOYSA-N 0 0 192.262 1.481 10 0 ADAERN C[C@H](O)CC[C@@H]1CSCC1=O 133920129 343929722 /nfs/dbraw/zinc/92/97/22/343929722.db2.gz ZRISGPGGINARID-NKWVEPMBSA-N 0 0 174.265 1.080 10 0 ADAERN CN(C)N=c1[nH]c2ccc(N)cc2o1 133936164 343929743 /nfs/dbraw/zinc/92/97/43/343929743.db2.gz AOOKNNYPCUVRIA-UHFFFAOYSA-N 0 0 192.222 1.299 10 0 ADAERN O=C(Cc1cccnc1)c1ccncc1 133927184 343929744 /nfs/dbraw/zinc/92/97/44/343929744.db2.gz IZBBEPKCXYAMPI-UHFFFAOYSA-N 0 0 198.225 1.902 10 0 ADAERN CC(C)c1nn(C)c(NN(C)C)c1N 133932562 343929776 /nfs/dbraw/zinc/92/97/76/343929776.db2.gz AUPDHLNEZFUIBW-UHFFFAOYSA-N 0 0 197.286 1.014 10 0 ADAERN CN(C)Nc1ccccc1N 133933382 343929760 /nfs/dbraw/zinc/92/97/60/343929760.db2.gz YVRUPRGKCOTRGQ-UHFFFAOYSA-N 0 0 151.213 1.157 10 0 ADAERN CCOc1cc(N)cc(NN(C)C)c1 133932376 343929762 /nfs/dbraw/zinc/92/97/62/343929762.db2.gz SKICKNQYHWWRRB-UHFFFAOYSA-N 0 0 195.266 1.556 10 0 ADAERN CCC(C)(C)C(=O)N1CCCC(=O)C1 133917948 343929765 /nfs/dbraw/zinc/92/97/65/343929765.db2.gz WDILFYXRSBDATD-UHFFFAOYSA-N 0 0 197.278 1.614 10 0 ADAERN Cc1ccc(N)c(NN(C)C)c1 133931956 343929772 /nfs/dbraw/zinc/92/97/72/343929772.db2.gz FJDDKJOVYHJVEZ-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN C[C@@H](O)CC[C@H]1CSCC1=O 133920745 343929792 /nfs/dbraw/zinc/92/97/92/343929792.db2.gz ZRISGPGGINARID-RQJHMYQMSA-N 0 0 174.265 1.080 10 0 ADAERN Cc1cc(=O)cc(C)n1[C@H](C)CCO 133943718 343929981 /nfs/dbraw/zinc/92/99/81/343929981.db2.gz DDKMKQFZRKCCIP-MRVPVSSYSA-N 0 0 195.262 1.409 10 0 ADAERN Cc1nc(-n2cccn2)ccc1CO 133938081 343930000 /nfs/dbraw/zinc/93/00/00/343930000.db2.gz YPOVYZLBSIOJFQ-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CN(C)Nc1c(F)cc(N)cc1F 133950950 343930004 /nfs/dbraw/zinc/93/00/04/343930004.db2.gz IOORQZOCASBDTR-UHFFFAOYSA-N 0 0 187.193 1.436 10 0 ADAERN CC(C)[C@H]1CCCCNC1=O 133943701 343930011 /nfs/dbraw/zinc/93/00/11/343930011.db2.gz ONYBPKYREMOOKA-MRVPVSSYSA-N 0 0 155.241 1.559 10 0 ADAERN Cc1ccc(N)cc1NN(C)C 133946903 343930028 /nfs/dbraw/zinc/93/00/28/343930028.db2.gz FRUNSGQTVQHMOT-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN CN(C)Nc1c(N)cccc1Cl 133937834 343930037 /nfs/dbraw/zinc/93/00/37/343930037.db2.gz LKWYBJGCEJKDIV-UHFFFAOYSA-N 0 0 185.658 1.811 10 0 ADAERN CCCn1nc(C)c(N)c1NN(C)C 133947936 343930061 /nfs/dbraw/zinc/93/00/61/343930061.db2.gz SXRPMLPUKGRLSX-UHFFFAOYSA-N 0 0 197.286 1.072 10 0 ADAERN COc1cc(NN(C)C)ccc1N 133950306 343930066 /nfs/dbraw/zinc/93/00/66/343930066.db2.gz LPKJFHNBLJFDJX-UHFFFAOYSA-N 0 0 181.239 1.166 10 0 ADAERN CN(C)Nc1c(N)ccc(F)c1F 133952667 343930075 /nfs/dbraw/zinc/93/00/75/343930075.db2.gz UVPXIYTUPMWSJQ-UHFFFAOYSA-N 0 0 187.193 1.436 10 0 ADAERN Cc1ccc(NN(C)C)c(N)c1 133950502 343930097 /nfs/dbraw/zinc/93/00/97/343930097.db2.gz IULKWGSMWDLZKI-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN CN(C)Nc1cccc(N)c1 133941061 343930100 /nfs/dbraw/zinc/93/01/00/343930100.db2.gz FPIVHSCHWKLVJY-UHFFFAOYSA-N 0 0 151.213 1.157 10 0 ADAERN O=C1NCCCC[C@@H]1Cc1ccco1 133948378 343930120 /nfs/dbraw/zinc/93/01/20/343930120.db2.gz FZWSIXDILRRHLI-SECBINFHSA-N 0 0 193.246 1.738 10 0 ADAERN CN(C)N=c1[nH]c2cc(N)ccc2o1 133944491 343930123 /nfs/dbraw/zinc/93/01/23/343930123.db2.gz UXWDQHKRHJEMLT-UHFFFAOYSA-N 0 0 192.222 1.299 10 0 ADAERN CN(C)Nc1cc(Cl)ccc1N 133937442 343930160 /nfs/dbraw/zinc/93/01/60/343930160.db2.gz FQCMQWXVFIDILP-UHFFFAOYSA-N 0 0 185.658 1.811 10 0 ADAERN CN(C)N=c1[nH]c2ccc(N)cc2[nH]1 133948362 343930226 /nfs/dbraw/zinc/93/02/26/343930226.db2.gz NFLQOKOEBLVPBH-UHFFFAOYSA-N 0 0 191.238 1.034 10 0 ADAERN Cc1nc(-n2ccnc2)ccc1CO 133938484 343930232 /nfs/dbraw/zinc/93/02/32/343930232.db2.gz FXEKHGPTKUBEBF-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CC(C)[C@@H]1CCCCNC1=O 133943491 343930245 /nfs/dbraw/zinc/93/02/45/343930245.db2.gz ONYBPKYREMOOKA-QMMMGPOBSA-N 0 0 155.241 1.559 10 0 ADAERN CN(C)Nc1cc(N)cc(F)c1 133946035 343930252 /nfs/dbraw/zinc/93/02/52/343930252.db2.gz FDHQNJMBPDUHIB-UHFFFAOYSA-N 0 0 169.203 1.296 10 0 ADAERN COc1ccc(N)c(NN(C)C)c1 133944722 343930265 /nfs/dbraw/zinc/93/02/65/343930265.db2.gz MJGVASBXIDTANO-UHFFFAOYSA-N 0 0 181.239 1.166 10 0 ADAERN CN(C)Nc1cc(F)cc(F)c1N 133955055 343930449 /nfs/dbraw/zinc/93/04/49/343930449.db2.gz ZPLQOTRCCRCMJF-UHFFFAOYSA-N 0 0 187.193 1.436 10 0 ADAERN CN(C)Nc1ccc(N)cc1F 133953325 343930457 /nfs/dbraw/zinc/93/04/57/343930457.db2.gz WJZMEXMJAGGFCD-UHFFFAOYSA-N 0 0 169.203 1.296 10 0 ADAERN Cc1nn(C(C)C)c(NN(C)C)c1N 133954200 343930468 /nfs/dbraw/zinc/93/04/68/343930468.db2.gz OZDUEDCIDJCDLR-UHFFFAOYSA-N 0 0 197.286 1.243 10 0 ADAERN CNC(=O)c1nc(C)n2ccccc12 133962813 343930481 /nfs/dbraw/zinc/93/04/81/343930481.db2.gz AVSXDELXZRLMLO-UHFFFAOYSA-N 0 0 189.218 1.002 10 0 ADAERN COC[C@H](C)[C@@H]1CCCCNC1=O 133966219 343930549 /nfs/dbraw/zinc/93/05/49/343930549.db2.gz WPTYCCKAGQEDBF-IUCAKERBSA-N 0 0 185.267 1.185 10 0 ADAERN C/C=C/C[C@H]1CCCCNC1=O 133962232 343930563 /nfs/dbraw/zinc/93/05/63/343930563.db2.gz MMQVFHRWSKUNIB-HPOULIHZSA-N 0 0 167.252 1.869 10 0 ADAERN O=C1NCCCC[C@@H]1Cc1ccoc1 133976818 343930579 /nfs/dbraw/zinc/93/05/79/343930579.db2.gz SQQMDHWRAIEKLV-SNVBAGLBSA-N 0 0 193.246 1.738 10 0 ADAERN Cc1cc(NCc2cc[nH]n2)no1 133982310 343930581 /nfs/dbraw/zinc/93/05/81/343930581.db2.gz BUHVMKDCVCTUCO-UHFFFAOYSA-N 0 0 178.195 1.318 10 0 ADAERN O=C1NCCCC[C@H]1Cc1ccoc1 133976629 343930599 /nfs/dbraw/zinc/93/05/99/343930599.db2.gz SQQMDHWRAIEKLV-JTQLQIEISA-N 0 0 193.246 1.738 10 0 ADAERN Nc1ccc(NN2CCCCC2)cn1 133963519 343930664 /nfs/dbraw/zinc/93/06/64/343930664.db2.gz BOOJKOFBKWJRBU-UHFFFAOYSA-N 0 0 192.266 1.477 10 0 ADAERN COC[C@@H](C)[C@H]1CCCCNC1=O 133966767 343930678 /nfs/dbraw/zinc/93/06/78/343930678.db2.gz WPTYCCKAGQEDBF-RKDXNWHRSA-N 0 0 185.267 1.185 10 0 ADAERN CN(C)Nc1cc(F)ccc1N 133953119 343930715 /nfs/dbraw/zinc/93/07/15/343930715.db2.gz YTLPWUXRUJFMBW-UHFFFAOYSA-N 0 0 169.203 1.296 10 0 ADAERN O=C1NCCCC[C@@H]1CC(F)F 133978873 343930730 /nfs/dbraw/zinc/93/07/30/343930730.db2.gz QQKHVAILLDMTAK-ZCFIWIBFSA-N 0 0 177.194 1.558 10 0 ADAERN C/C=C/C[C@@H]1CCCCNC1=O 133962009 343930735 /nfs/dbraw/zinc/93/07/35/343930735.db2.gz MMQVFHRWSKUNIB-GKQMSVHHSA-N 0 0 167.252 1.869 10 0 ADAERN COC[C@@H](C)[C@@H]1CCCCNC1=O 133966414 343930752 /nfs/dbraw/zinc/93/07/52/343930752.db2.gz WPTYCCKAGQEDBF-BDAKNGLRSA-N 0 0 185.267 1.185 10 0 ADAERN COC[C@H](C)[C@H]1CCCCNC1=O 133966578 343930756 /nfs/dbraw/zinc/93/07/56/343930756.db2.gz WPTYCCKAGQEDBF-DTWKUNHWSA-N 0 0 185.267 1.185 10 0 ADAERN COc1ccn2c(C)nc(C=O)c2c1 133991788 343930973 /nfs/dbraw/zinc/93/09/73/343930973.db2.gz LGDFVFBRTLPEEZ-UHFFFAOYSA-N 0 0 190.202 1.464 10 0 ADAERN C[C@@H](O)CCSC[C@H](C)CO 133993028 343931005 /nfs/dbraw/zinc/93/10/05/343931005.db2.gz UOBQHRJKJNLUCN-HTQZYQBOSA-N 0 0 178.297 1.119 10 0 ADAERN Cc1nc(C=O)c2c(F)cccn12 133992219 343931031 /nfs/dbraw/zinc/93/10/31/343931031.db2.gz GCNVRIKSNSFSGJ-UHFFFAOYSA-N 0 0 178.166 1.594 10 0 ADAERN CO[C@H](C)C[C@H]1CCCCNC1=O 133984459 343931045 /nfs/dbraw/zinc/93/10/45/343931045.db2.gz QRXSTYBUNTYIGZ-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN CO[C@@H](C)C[C@H]1CCCCNC1=O 133984301 343931091 /nfs/dbraw/zinc/93/10/91/343931091.db2.gz QRXSTYBUNTYIGZ-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN COc1cccc2c(C=O)nc(C)n12 133990990 343931148 /nfs/dbraw/zinc/93/11/48/343931148.db2.gz AQBOMKPSMNPCAP-UHFFFAOYSA-N 0 0 190.202 1.464 10 0 ADAERN C[C@@H](CO)CSCC[C@@H](C)O 133992594 343931154 /nfs/dbraw/zinc/93/11/54/343931154.db2.gz UOBQHRJKJNLUCN-JGVFFNPUSA-N 0 0 178.297 1.119 10 0 ADAERN Cc1nc(C(N)=O)c2n1CCC[C@@H]2C 133995850 343931167 /nfs/dbraw/zinc/93/11/67/343931167.db2.gz BGELDCRVFMUJAT-LURJTMIESA-N 0 0 193.250 1.188 10 0 ADAERN Cc1nc(C(N)=O)c2n1[C@@H](C)CCC2 133994854 343931187 /nfs/dbraw/zinc/93/11/87/343931187.db2.gz ZDPISYMCNBOBOU-LURJTMIESA-N 0 0 193.250 1.188 10 0 ADAERN Cc1nc(C(N)=O)c2n1CCC[C@H]2C 133996023 343931198 /nfs/dbraw/zinc/93/11/98/343931198.db2.gz BGELDCRVFMUJAT-ZCFIWIBFSA-N 0 0 193.250 1.188 10 0 ADAERN Cc1ccn2c(C)nc(C(N)=O)c2c1 133994210 343931201 /nfs/dbraw/zinc/93/12/01/343931201.db2.gz PVPJRDZWHIBBSZ-UHFFFAOYSA-N 0 0 189.218 1.050 10 0 ADAERN C[C@H](O)CCSC[C@H](C)CO 133992815 343931207 /nfs/dbraw/zinc/93/12/07/343931207.db2.gz UOBQHRJKJNLUCN-SFYZADRCSA-N 0 0 178.297 1.119 10 0 ADAERN Cc1ncsc1[C@@H](C)NN(C)C 134025903 343931581 /nfs/dbraw/zinc/93/15/81/343931581.db2.gz LWMJEYFMCLGZGF-SSDOTTSWSA-N 0 0 185.296 1.579 10 0 ADAERN C[C@@H](NN(C)C)C1CCCC1 134027568 343931651 /nfs/dbraw/zinc/93/16/51/343931651.db2.gz PBLSOCFXDLISNU-MRVPVSSYSA-N 0 0 156.273 1.631 10 0 ADAERN Cc1ncsc1[C@H](C)NN(C)C 134026111 343931694 /nfs/dbraw/zinc/93/16/94/343931694.db2.gz LWMJEYFMCLGZGF-ZETCQYMHSA-N 0 0 185.296 1.579 10 0 ADAERN CN(C)NCc1c[nH]c2ncccc12 134030047 343931724 /nfs/dbraw/zinc/93/17/24/343931724.db2.gz PAFMUTAHZKUDND-UHFFFAOYSA-N 0 0 190.250 1.129 10 0 ADAERN C[C@H](NN(C)C)C1CCCC1 134027366 343931751 /nfs/dbraw/zinc/93/17/51/343931751.db2.gz PBLSOCFXDLISNU-QMMMGPOBSA-N 0 0 156.273 1.631 10 0 ADAERN OC1CCC(OCC(F)(F)F)CC1 134019802 343931772 /nfs/dbraw/zinc/93/17/72/343931772.db2.gz OBYAACQQAZABLK-UHFFFAOYSA-N 0 0 198.184 1.869 10 0 ADAERN CCc1c[nH]c(=S)o1 134028855 343931785 /nfs/dbraw/zinc/93/17/85/343931785.db2.gz SZYLSSAIUGUJAF-UHFFFAOYSA-N 0 0 129.184 1.526 10 0 ADAERN Cc1nc(CO)c2n1CC[C@@H](C)C2 134043210 343932121 /nfs/dbraw/zinc/93/21/21/343932121.db2.gz OICUGUWWUANFFD-SSDOTTSWSA-N 0 0 180.251 1.266 10 0 ADAERN Cc1nc(CO)c2n1CCCC2 134041132 343932123 /nfs/dbraw/zinc/93/21/23/343932123.db2.gz JWPSUKQBWGXWOM-UHFFFAOYSA-N 0 0 166.224 1.020 10 0 ADAERN Nc1cnc(NC2CC=CC2)cn1 134053809 343932131 /nfs/dbraw/zinc/93/21/31/343932131.db2.gz ZEPLEVZAUDWGJB-UHFFFAOYSA-N 0 0 176.223 1.189 10 0 ADAERN C[C@@H](CNc1nc(N)ns1)C1CC1 134037161 343932141 /nfs/dbraw/zinc/93/21/41/343932141.db2.gz KXLXJHAQSXYRDM-YFKPBYRVSA-N 0 0 198.295 1.578 10 0 ADAERN Cc1nc(CO)c2n1[C@@H](C)CCC2 134042370 343932149 /nfs/dbraw/zinc/93/21/49/343932149.db2.gz HZPJFYDDOGCWGH-ZETCQYMHSA-N 0 0 180.251 1.581 10 0 ADAERN Cc1ccc(CNN(C)C)c(C)c1 134051050 343932152 /nfs/dbraw/zinc/93/21/52/343932152.db2.gz IQOUQKPCFGYDRJ-UHFFFAOYSA-N 0 0 178.279 1.870 10 0 ADAERN Cc1nc(CO)c2c(F)cccn12 134044142 343932156 /nfs/dbraw/zinc/93/21/56/343932156.db2.gz SDYXPPQVUVJBKA-UHFFFAOYSA-N 0 0 180.182 1.274 10 0 ADAERN Cc1nc(CO)c2n1CCC[C@@H]2C 134043405 343932237 /nfs/dbraw/zinc/93/22/37/343932237.db2.gz UWFMIDGFWSSTBO-ZETCQYMHSA-N 0 0 180.251 1.581 10 0 ADAERN Cc1nc(CO)c2n1CC[C@H](C)C2 134043002 343932172 /nfs/dbraw/zinc/93/21/72/343932172.db2.gz OICUGUWWUANFFD-ZETCQYMHSA-N 0 0 180.251 1.266 10 0 ADAERN Cc1nn(CC[C@H](C)O)cc1Cl 134033714 343932185 /nfs/dbraw/zinc/93/21/85/343932185.db2.gz URENUPWCIPGAEN-LURJTMIESA-N 0 0 188.658 1.616 10 0 ADAERN Cc1nn(CC[C@@H](C)O)cc1Cl 134033524 343932194 /nfs/dbraw/zinc/93/21/94/343932194.db2.gz URENUPWCIPGAEN-ZCFIWIBFSA-N 0 0 188.658 1.616 10 0 ADAERN C[C@H](CNc1nc(N)ns1)C1CC1 134037347 343932196 /nfs/dbraw/zinc/93/21/96/343932196.db2.gz KXLXJHAQSXYRDM-RXMQYKEDSA-N 0 0 198.295 1.578 10 0 ADAERN Cc1ccc(C(=O)C=O)cc1F 134041291 343932244 /nfs/dbraw/zinc/93/22/44/343932244.db2.gz XNUCPZNSWLYVDM-UHFFFAOYSA-N 0 0 166.151 1.516 10 0 ADAERN Cc1ccsc1CNN(C)C 134052946 343932252 /nfs/dbraw/zinc/93/22/52/343932252.db2.gz DPULYFOTQQPBRW-UHFFFAOYSA-N 0 0 170.281 1.623 10 0 ADAERN Nc1nsc(NC2CC=CC2)n1 134037575 343932266 /nfs/dbraw/zinc/93/22/66/343932266.db2.gz ZCWXOJIDFLWBTL-UHFFFAOYSA-N 0 0 182.252 1.251 10 0 ADAERN C[C@@H](NN(C)C)c1ccccn1 134042504 343932299 /nfs/dbraw/zinc/93/22/99/343932299.db2.gz NLGPVRNKQSMKLP-MRVPVSSYSA-N 0 0 165.240 1.209 10 0 ADAERN COc1cccc2c(CO)nc(C)n12 134041556 343932307 /nfs/dbraw/zinc/93/23/07/343932307.db2.gz UBFXZVWZQHTIDK-UHFFFAOYSA-N 0 0 192.218 1.144 10 0 ADAERN CN(C)NCc1cccc2c1NCC2 134037817 343932312 /nfs/dbraw/zinc/93/23/12/343932312.db2.gz MACIRMHRJQCLKB-UHFFFAOYSA-N 0 0 191.278 1.221 10 0 ADAERN COc1ccn2c(C)nc(CO)c2c1 134043754 343932315 /nfs/dbraw/zinc/93/23/15/343932315.db2.gz GRCCKTBPMKMSDC-UHFFFAOYSA-N 0 0 192.218 1.144 10 0 ADAERN C[C@H]1OCC[C@H]1NCc1cscn1 134034035 343932336 /nfs/dbraw/zinc/93/23/36/343932336.db2.gz VXIROZLWWKEVIJ-VXNVDRBHSA-N 0 0 198.291 1.410 10 0 ADAERN CN(C)NCc1cc(F)ccc1F 134044902 343932341 /nfs/dbraw/zinc/93/23/41/343932341.db2.gz GYTUWLLNUTWSOC-UHFFFAOYSA-N 0 0 186.205 1.531 10 0 ADAERN Cc1ccc(CNN(C)C)o1 134048901 343932382 /nfs/dbraw/zinc/93/23/82/343932382.db2.gz COOGCJRTNZPPJQ-UHFFFAOYSA-N 0 0 154.213 1.154 10 0 ADAERN C[C@H](NN(C)C)c1ccccn1 134042278 343932442 /nfs/dbraw/zinc/93/24/42/343932442.db2.gz NLGPVRNKQSMKLP-QMMMGPOBSA-N 0 0 165.240 1.209 10 0 ADAERN Cc1nc(CO)c2n1CCC[C@H]2C 134043589 343932458 /nfs/dbraw/zinc/93/24/58/343932458.db2.gz UWFMIDGFWSSTBO-SSDOTTSWSA-N 0 0 180.251 1.581 10 0 ADAERN CCC(=O)[C@H](C)N1CCC[C@H](C)C1=O 134079090 343932677 /nfs/dbraw/zinc/93/26/77/343932677.db2.gz XQVDZQGDQRRXLN-IUCAKERBSA-N 0 0 197.278 1.613 10 0 ADAERN CN(C)NCc1cccc(F)c1 134063691 343932685 /nfs/dbraw/zinc/93/26/85/343932685.db2.gz QDUHODJEKMVJNM-UHFFFAOYSA-N 0 0 168.215 1.392 10 0 ADAERN C[C@@H]1CCC[C@@H](C)C1NN(C)C 134070359 343932726 /nfs/dbraw/zinc/93/27/26/343932726.db2.gz GSKQXFFWUPOTAT-RKDXNWHRSA-N 0 0 170.300 1.877 10 0 ADAERN C[C@H](NN(C)C)c1ccc(O)cc1 134074752 343932733 /nfs/dbraw/zinc/93/27/33/343932733.db2.gz ZJVNYJZEZKMAID-QMMMGPOBSA-N 0 0 180.251 1.519 10 0 ADAERN CCC(=O)[C@@H](C)N1CCC[C@H](C)C1=O 134078889 343932790 /nfs/dbraw/zinc/93/27/90/343932790.db2.gz XQVDZQGDQRRXLN-DTWKUNHWSA-N 0 0 197.278 1.613 10 0 ADAERN COCCSCC[C@H](C)O 134067542 343932795 /nfs/dbraw/zinc/93/27/95/343932795.db2.gz PWYJQKFFKLKNOG-ZETCQYMHSA-N 0 0 164.270 1.137 10 0 ADAERN 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1.262 10 0 ADAERN CCCc1nc(CO)c2ccccn12 134159611 343935255 /nfs/dbraw/zinc/93/52/55/343935255.db2.gz WCYDMCXDTAZUBT-UHFFFAOYSA-N 0 0 190.246 1.779 10 0 ADAERN CO[C@H](C)[C@H](C)Nc1ccccn1 134148163 343935261 /nfs/dbraw/zinc/93/52/61/343935261.db2.gz KLNRCMGSDANKBG-DTWKUNHWSA-N 0 0 180.251 1.917 10 0 ADAERN O=C1NCCCC[C@H]1CC1CC1 134149120 343935266 /nfs/dbraw/zinc/93/52/66/343935266.db2.gz VHURYUJWEVVKRI-VIFPVBQESA-N 0 0 167.252 1.703 10 0 ADAERN CNC(=O)N1[C@@H](C)CCC[C@H]1C 134164752 343935475 /nfs/dbraw/zinc/93/54/75/343935475.db2.gz DILXOTFCBAUDOO-OCAPTIKFSA-N 0 0 170.256 1.589 10 0 ADAERN CCC(CC)N1CCCC(=O)C1 134162913 343935520 /nfs/dbraw/zinc/93/55/20/343935520.db2.gz FEGMNWGYMQGGIG-UHFFFAOYSA-N 0 0 169.268 1.840 10 0 ADAERN Cc1ccccc1CNN(C)C 134172406 343935656 /nfs/dbraw/zinc/93/56/56/343935656.db2.gz NUQOOXHICVAEFK-UHFFFAOYSA-N 0 0 164.252 1.561 10 0 ADAERN Cc1cc(CNN(C)C)cc(C)c1O 134179102 343935757 /nfs/dbraw/zinc/93/57/57/343935757.db2.gz QAXHLQDNNHRYDE-UHFFFAOYSA-N 0 0 194.278 1.575 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@H](NN(C)C)C1 134187407 343935919 /nfs/dbraw/zinc/93/59/19/343935919.db2.gz UHPRQUYWXHQDNL-OPRDCNLKSA-N 0 0 170.300 1.877 10 0 ADAERN CONCc1ccc(NC(C)=O)cc1 134189754 343935968 /nfs/dbraw/zinc/93/59/68/343935968.db2.gz SJVBICCMBKDBGR-UHFFFAOYSA-N 0 0 194.234 1.296 10 0 ADAERN O=C1CCCN(CC2CC2)C1 134183245 343935975 /nfs/dbraw/zinc/93/59/75/343935975.db2.gz AZFUMLWXBGLVCK-UHFFFAOYSA-N 0 0 153.225 1.061 10 0 ADAERN C[C@H]1CC(NN(C)C)C[C@H](C)C1 134181050 343936059 /nfs/dbraw/zinc/93/60/59/343936059.db2.gz GTLKARFYWLGEBI-RKDXNWHRSA-N 0 0 170.300 1.877 10 0 ADAERN Cc1cc(CN2CCCC(=O)C2)on1 134189530 343936140 /nfs/dbraw/zinc/93/61/40/343936140.db2.gz LNHNVKQUWQONHJ-UHFFFAOYSA-N 0 0 194.234 1.148 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1NN(C)C 134187029 343936163 /nfs/dbraw/zinc/93/61/63/343936163.db2.gz UHPRQUYWXHQDNL-KXUCPTDWSA-N 0 0 170.300 1.877 10 0 ADAERN C/C=C/CN1CCCC(=O)C1 134200194 343936450 /nfs/dbraw/zinc/93/64/50/343936450.db2.gz IKULUOHHXNBHLL-NSCUHMNNSA-N 0 0 153.225 1.227 10 0 ADAERN CN(C)NC1CC(c2ccccc2)C1 134209471 343936484 /nfs/dbraw/zinc/93/64/84/343936484.db2.gz ONPMNMDLPAYKNW-UHFFFAOYSA-N 0 0 190.290 1.999 10 0 ADAERN C[C@@H](NN(C)C)c1ccc(F)cc1 134206061 343936512 /nfs/dbraw/zinc/93/65/12/343936512.db2.gz ZIWDEWRPEWXDFD-MRVPVSSYSA-N 0 0 182.242 1.953 10 0 ADAERN C[C@H](NN(C)C)c1ccc(F)cc1 134205970 343936553 /nfs/dbraw/zinc/93/65/53/343936553.db2.gz ZIWDEWRPEWXDFD-QMMMGPOBSA-N 0 0 182.242 1.953 10 0 ADAERN CC[C@@H](C)[C@H](C)NN(C)C 134211208 343936785 /nfs/dbraw/zinc/93/67/85/343936785.db2.gz UMIMDNPRPLAEAO-SFYZADRCSA-N 0 0 144.262 1.487 10 0 ADAERN Cc1nc(CNN(C)C)cs1 134213745 343936832 /nfs/dbraw/zinc/93/68/32/343936832.db2.gz QPASHJNXXOWZNN-UHFFFAOYSA-N 0 0 171.269 1.018 10 0 ADAERN CC[C@H]1CC(=O)Nc2cccnc2N1 134214981 343936864 /nfs/dbraw/zinc/93/68/64/343936864.db2.gz RJDZBOWXRFLADD-ZETCQYMHSA-N 0 0 191.234 1.614 10 0 ADAERN O=C1CCCN(CC[C@@H]2CCCO2)C1 134211206 343936875 /nfs/dbraw/zinc/93/68/75/343936875.db2.gz PKDCQKZNUJRJGX-NSHDSACASA-N 0 0 197.278 1.220 10 0 ADAERN O=C1CCCN(CC[C@H]2CCCO2)C1 134211092 343936921 /nfs/dbraw/zinc/93/69/21/343936921.db2.gz PKDCQKZNUJRJGX-LLVKDONJSA-N 0 0 197.278 1.220 10 0 ADAERN CC[C@@H](C)[C@@H](C)NN(C)C 134211000 343936965 /nfs/dbraw/zinc/93/69/65/343936965.db2.gz UMIMDNPRPLAEAO-HTQZYQBOSA-N 0 0 144.262 1.487 10 0 ADAERN CC[C@H](C)[C@@H](C)NN(C)C 134211094 343936969 /nfs/dbraw/zinc/93/69/69/343936969.db2.gz UMIMDNPRPLAEAO-JGVFFNPUSA-N 0 0 144.262 1.487 10 0 ADAERN C[C@H](O)CC[C@H]1CCC[C@@H]1O 134211297 343936998 /nfs/dbraw/zinc/93/69/98/343936998.db2.gz UUUSRYVZFZRBAT-YIZRAAEISA-N 0 0 158.241 1.308 10 0 ADAERN C[C@H]1CC(O)(C(F)F)C[C@H](C)O1 134213256 343937011 /nfs/dbraw/zinc/93/70/11/343937011.db2.gz VUKYQRFJYCCHAB-WDSKDSINSA-N 0 0 180.194 1.570 10 0 ADAERN CC[C@@H]1CC(=O)Nc2cccnc2N1 134214974 343937036 /nfs/dbraw/zinc/93/70/36/343937036.db2.gz RJDZBOWXRFLADD-SSDOTTSWSA-N 0 0 191.234 1.614 10 0 ADAERN C[C@@H]1CC(O)(C(F)F)C[C@@H](C)O1 134213365 343937042 /nfs/dbraw/zinc/93/70/42/343937042.db2.gz VUKYQRFJYCCHAB-PHDIDXHHSA-N 0 0 180.194 1.570 10 0 ADAERN C[C@H](O)CC[C@@H]1CCC[C@@H]1O 134211089 343937048 /nfs/dbraw/zinc/93/70/48/343937048.db2.gz UUUSRYVZFZRBAT-CIUDSAMLSA-N 0 0 158.241 1.308 10 0 ADAERN CC[C@H](C)[C@H](C)NN(C)C 134211304 343937053 /nfs/dbraw/zinc/93/70/53/343937053.db2.gz UMIMDNPRPLAEAO-YUMQZZPRSA-N 0 0 144.262 1.487 10 0 ADAERN CON[C@@H]1CCc2cc(N)ccc21 134229164 343937245 /nfs/dbraw/zinc/93/72/45/343937245.db2.gz HUDMIEGCQGGSKX-SNVBAGLBSA-N 0 0 178.235 1.407 10 0 ADAERN CON[C@@H](C)c1ccc2c(c1)OCO2 134232882 343937259 /nfs/dbraw/zinc/93/72/59/343937259.db2.gz FANKQAOUXNXGAW-ZETCQYMHSA-N 0 0 195.218 1.627 10 0 ADAERN CONCc1cc(F)c(O)c(F)c1 134232272 343937295 /nfs/dbraw/zinc/93/72/95/343937295.db2.gz HBZPKLXPLYBDKA-UHFFFAOYSA-N 0 0 189.161 1.321 10 0 ADAERN Cc1nsc(N2CCCC(=O)C2)n1 134224991 343937346 /nfs/dbraw/zinc/93/73/46/343937346.db2.gz CZLVVANHYULKFM-UHFFFAOYSA-N 0 0 197.263 1.016 10 0 ADAERN CONCc1cc(C)c(O)c(C)c1 134230241 343937361 /nfs/dbraw/zinc/93/73/61/343937361.db2.gz WMKFREWTVXGPJK-UHFFFAOYSA-N 0 0 181.235 1.660 10 0 ADAERN O=C1CCCN(c2ccccn2)C1 134222416 343937368 /nfs/dbraw/zinc/93/73/68/343937368.db2.gz BXHQZSHFARBIJT-UHFFFAOYSA-N 0 0 176.219 1.251 10 0 ADAERN CON[C@H](C)c1ccc2c(c1)CCO2 134238058 343937373 /nfs/dbraw/zinc/93/73/73/343937373.db2.gz LFLSSEFHRHGQGF-MRVPVSSYSA-N 0 0 193.246 1.834 10 0 ADAERN Cc1csc(N2CCCC(=O)C2)n1 134227027 343937515 /nfs/dbraw/zinc/93/75/15/343937515.db2.gz WVADJRTUSJXZDO-UHFFFAOYSA-N 0 0 196.275 1.621 10 0 ADAERN Cc1ccc(N2CCCC(=O)C2)nc1 134224630 343937428 /nfs/dbraw/zinc/93/74/28/343937428.db2.gz NTGSFINDPROEKE-UHFFFAOYSA-N 0 0 190.246 1.559 10 0 ADAERN CON[C@@H]1Cc2ccc(Cl)cc2C1 134236819 343937433 /nfs/dbraw/zinc/93/74/33/343937433.db2.gz RGJAQPDMXMTPBP-SNVBAGLBSA-N 0 0 197.665 1.958 10 0 ADAERN CCn1ccnc1N1CCCC(=O)C1 134227784 343937448 /nfs/dbraw/zinc/93/74/48/343937448.db2.gz VTOILWQAGGNCGC-UHFFFAOYSA-N 0 0 193.250 1.072 10 0 ADAERN CON[C@H]1CCc2ccccc2C1 134233993 343937488 /nfs/dbraw/zinc/93/74/88/343937488.db2.gz RHMLCYWSIXOYNF-NSHDSACASA-N 0 0 177.247 1.695 10 0 ADAERN CON[C@@H]1CCc2ccccc2C1 134233974 343937496 /nfs/dbraw/zinc/93/74/96/343937496.db2.gz RHMLCYWSIXOYNF-LLVKDONJSA-N 0 0 177.247 1.695 10 0 ADAERN CON[C@H]1CCCc2cccnc21 134234547 343937513 /nfs/dbraw/zinc/93/75/13/343937513.db2.gz JERZWRBSWAFXLX-VIFPVBQESA-N 0 0 178.235 1.610 10 0 ADAERN Cc1cccnc1N1CCCC(=O)C1 134223589 343937518 /nfs/dbraw/zinc/93/75/18/343937518.db2.gz MNJCCIOITXEIRD-UHFFFAOYSA-N 0 0 190.246 1.559 10 0 ADAERN O=C1CCCN(c2ccncc2)C1 134226154 343937525 /nfs/dbraw/zinc/93/75/25/343937525.db2.gz DNIBVWKSUGMDDP-UHFFFAOYSA-N 0 0 176.219 1.251 10 0 ADAERN CON[C@H]1Cc2ccc(Cl)cc2C1 134236842 343937534 /nfs/dbraw/zinc/93/75/34/343937534.db2.gz RGJAQPDMXMTPBP-JTQLQIEISA-N 0 0 197.665 1.958 10 0 ADAERN CON[C@@H](C)c1ccc2c(c1)CCO2 134238036 343937556 /nfs/dbraw/zinc/93/75/56/343937556.db2.gz LFLSSEFHRHGQGF-QMMMGPOBSA-N 0 0 193.246 1.834 10 0 ADAERN CON[C@H]1CCc2cc(N)ccc21 134229186 343937577 /nfs/dbraw/zinc/93/75/77/343937577.db2.gz HUDMIEGCQGGSKX-JTQLQIEISA-N 0 0 178.235 1.407 10 0 ADAERN CON[C@@H]1CCCc2cccnc21 134234530 343937587 /nfs/dbraw/zinc/93/75/87/343937587.db2.gz JERZWRBSWAFXLX-SECBINFHSA-N 0 0 178.235 1.610 10 0 ADAERN CON[C@@H](C)c1c(C)nn(C)c1C 134243687 343937730 /nfs/dbraw/zinc/93/77/30/343937730.db2.gz FOEAMMYFUBQPGT-ZETCQYMHSA-N 0 0 183.255 1.249 10 0 ADAERN CONCc1cc(F)c(F)c(F)c1 134240096 343937808 /nfs/dbraw/zinc/93/78/08/343937808.db2.gz SOOMRXQNMCFBFS-UHFFFAOYSA-N 0 0 191.152 1.755 10 0 ADAERN CCON[C@@H]1COc2cc(O)ccc21 134251774 343937873 /nfs/dbraw/zinc/93/78/73/343937873.db2.gz GTAAYRFTUSQZCL-SECBINFHSA-N 0 0 195.218 1.367 10 0 ADAERN CCON[C@@H]1CCc2cc(N)ccc21 134244882 343937891 /nfs/dbraw/zinc/93/78/91/343937891.db2.gz HFMUXCXFBBHUCC-LLVKDONJSA-N 0 0 192.262 1.797 10 0 ADAERN CCON[C@H]1CC(C)(C)OC1(C)C 134253669 343937978 /nfs/dbraw/zinc/93/79/78/343937978.db2.gz IHAJAROMLAOGCX-QMMMGPOBSA-N 0 0 187.283 1.874 10 0 ADAERN CCON[C@H]1CCc2cc(N)ccc21 134244904 343938011 /nfs/dbraw/zinc/93/80/11/343938011.db2.gz HFMUXCXFBBHUCC-NSHDSACASA-N 0 0 192.262 1.797 10 0 ADAERN CCON[C@@H]1CC(C)(C)OC1(C)C 134253647 343938054 /nfs/dbraw/zinc/93/80/54/343938054.db2.gz IHAJAROMLAOGCX-MRVPVSSYSA-N 0 0 187.283 1.874 10 0 ADAERN CON[C@@H]1CCc2ccc(OC)cc21 134241965 343938092 /nfs/dbraw/zinc/93/80/92/343938092.db2.gz DNDIKEXFUMRBMQ-LLVKDONJSA-N 0 0 193.246 1.834 10 0 ADAERN CON[C@@H]1CCc2c(O)cccc21 134242935 343938106 /nfs/dbraw/zinc/93/81/06/343938106.db2.gz HIGXNLBRQBIYNY-SECBINFHSA-N 0 0 179.219 1.531 10 0 ADAERN CONCc1cnc2ccccc2n1 134243323 343938120 /nfs/dbraw/zinc/93/81/20/343938120.db2.gz XGEHPWGFMUMPLZ-UHFFFAOYSA-N 0 0 189.218 1.281 10 0 ADAERN CON[C@H]1CCc2c(O)cccc21 134242955 343938122 /nfs/dbraw/zinc/93/81/22/343938122.db2.gz HIGXNLBRQBIYNY-VIFPVBQESA-N 0 0 179.219 1.531 10 0 ADAERN CON[C@H](C)c1c(C)nn(C)c1C 134243667 343938125 /nfs/dbraw/zinc/93/81/25/343938125.db2.gz FOEAMMYFUBQPGT-SSDOTTSWSA-N 0 0 183.255 1.249 10 0 ADAERN CONCc1cccc2c1NCCC2 134240480 343938133 /nfs/dbraw/zinc/93/81/33/343938133.db2.gz XNYPHKVKHSDLFI-UHFFFAOYSA-N 0 0 192.262 1.696 10 0 ADAERN C[C@@H](Nc1ccnn1C)C1CC1 134293620 343939072 /nfs/dbraw/zinc/93/90/72/343939072.db2.gz GLRYFKHSBUUJOC-SSDOTTSWSA-N 0 0 165.240 1.631 10 0 ADAERN CC(C)[C@@H](C)Nc1ccnn1C 134295608 343939093 /nfs/dbraw/zinc/93/90/93/343939093.db2.gz UJSRNSLBGUMOFO-MRVPVSSYSA-N 0 0 167.256 1.877 10 0 ADAERN O=C1CC[C@@H](Cc2ccc(Cl)o2)N1 134320719 343939143 /nfs/dbraw/zinc/93/91/43/343939143.db2.gz KFAAALXIEYEYGU-LURJTMIESA-N 0 0 199.637 1.754 10 0 ADAERN O=C1CC[C@H](CC2CCOCC2)N1 134321337 343939174 /nfs/dbraw/zinc/93/91/74/343939174.db2.gz WKVKEPCTOUFAKS-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1CC[C@@H](CC2CCOCC2)N1 134321320 343939181 /nfs/dbraw/zinc/93/91/81/343939181.db2.gz WKVKEPCTOUFAKS-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN CC(C)Nc1ccc2[nH]nnc2c1 134319058 343939241 /nfs/dbraw/zinc/93/92/41/343939241.db2.gz DVKWVKPTABLFGP-UHFFFAOYSA-N 0 0 176.223 1.778 10 0 ADAERN O=C1CC[C@@H](CC2CC2)N1 134320916 343939249 /nfs/dbraw/zinc/93/92/49/343939249.db2.gz BQQJHLVANWQJSO-ZETCQYMHSA-N 0 0 139.198 1.065 10 0 ADAERN CCn1cccc1C[C@@H]1CCC(=O)N1 134320213 343939250 /nfs/dbraw/zinc/93/92/50/343939250.db2.gz IKVNRDQSUUNIAU-VIFPVBQESA-N 0 0 192.262 1.329 10 0 ADAERN O=C1CC[C@@H](Cc2cccc(F)c2)N1 134320666 343939253 /nfs/dbraw/zinc/93/92/53/343939253.db2.gz FBFVJWAAESMPLG-JTQLQIEISA-N 0 0 193.221 1.647 10 0 ADAERN CC(C)Nc1ccc(N(C)C)cn1 134311823 343939276 /nfs/dbraw/zinc/93/92/76/343939276.db2.gz JYDJJZKOMPQVKF-UHFFFAOYSA-N 0 0 179.267 1.968 10 0 ADAERN O=C1CC[C@H](Cc2cccc(F)c2)N1 134320686 343939298 /nfs/dbraw/zinc/93/92/98/343939298.db2.gz FBFVJWAAESMPLG-SNVBAGLBSA-N 0 0 193.221 1.647 10 0 ADAERN O=C1CC[C@H](Cc2ccc(Cl)o2)N1 134320738 343939308 /nfs/dbraw/zinc/93/93/08/343939308.db2.gz KFAAALXIEYEYGU-ZCFIWIBFSA-N 0 0 199.637 1.754 10 0 ADAERN O=C1CC[C@H](CC2CC2)N1 134320938 343939311 /nfs/dbraw/zinc/93/93/11/343939311.db2.gz BQQJHLVANWQJSO-SSDOTTSWSA-N 0 0 139.198 1.065 10 0 ADAERN CC[C@H](C)Nc1ccnn1C 134295581 343939362 /nfs/dbraw/zinc/93/93/62/343939362.db2.gz VQTVQJBUVKSTHQ-ZETCQYMHSA-N 0 0 153.229 1.631 10 0 ADAERN C[C@]1(C[C@H]2CCCO2)CCC(=O)N1 134328173 343939683 /nfs/dbraw/zinc/93/96/83/343939683.db2.gz AVUDDJFLDJHSOS-PSASIEDQSA-N 0 0 183.251 1.224 10 0 ADAERN O=C1CC[C@@H](Cc2cccs2)N1 134322461 343939532 /nfs/dbraw/zinc/93/95/32/343939532.db2.gz DWYNIZDHFASPIN-ZETCQYMHSA-N 0 0 181.260 1.569 10 0 ADAERN O=C1CC[C@H](Cc2ccsc2)N1 134323685 343939556 /nfs/dbraw/zinc/93/95/56/343939556.db2.gz LFYOZMPCOMNRFL-MRVPVSSYSA-N 0 0 181.260 1.569 10 0 ADAERN Cc1ncc(C[C@@H]2CCC(=O)N2)s1 134323098 343939560 /nfs/dbraw/zinc/93/95/60/343939560.db2.gz QWJWFLSNUWOVIC-ZETCQYMHSA-N 0 0 196.275 1.273 10 0 ADAERN O=C1CC[C@@H](Cc2ccco2)N1 134326150 343939565 /nfs/dbraw/zinc/93/95/65/343939565.db2.gz OVYJGWMBOFZEHT-ZETCQYMHSA-N 0 0 165.192 1.101 10 0 ADAERN O=C1CC[C@@H](CC2CCC2)N1 134322367 343939783 /nfs/dbraw/zinc/93/97/83/343939783.db2.gz UYQYCPJXUMRZBS-QMMMGPOBSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@]1(CC2CC2)CCC(=O)N1 134327897 343939569 /nfs/dbraw/zinc/93/95/69/343939569.db2.gz BJKUMZFNOLTMGW-SECBINFHSA-N 0 0 153.225 1.455 10 0 ADAERN CC[C@H](C)C[C@H]1CCC(=O)N1 134322774 343939577 /nfs/dbraw/zinc/93/95/77/343939577.db2.gz HMQUTYXRWIBIKZ-JGVFFNPUSA-N 0 0 155.241 1.701 10 0 ADAERN Cc1ccc(C[C@H]2CCC(=O)N2)s1 134324424 343939580 /nfs/dbraw/zinc/93/95/80/343939580.db2.gz ZSJFPFKZTKKUKU-MRVPVSSYSA-N 0 0 195.287 1.878 10 0 ADAERN O=C1CC[C@@H](Cc2ccccc2F)N1 134321790 343939597 /nfs/dbraw/zinc/93/95/97/343939597.db2.gz DPMHTWIJAOXZKX-VIFPVBQESA-N 0 0 193.221 1.647 10 0 ADAERN C[C@@]1(Cc2cccnc2)CCC(=O)N1 134327503 343939607 /nfs/dbraw/zinc/93/96/07/343939607.db2.gz OVRLPEFXVKWMRV-NSHDSACASA-N 0 0 190.246 1.293 10 0 ADAERN Cc1ccc(C[C@H]2CCC(=O)N2)nc1 134325607 343939615 /nfs/dbraw/zinc/93/96/15/343939615.db2.gz GHPGDYXGFDXJPZ-SNVBAGLBSA-N 0 0 190.246 1.211 10 0 ADAERN CC[C@@H](C)C[C@@H]1CCC(=O)N1 134322713 343939622 /nfs/dbraw/zinc/93/96/22/343939622.db2.gz HMQUTYXRWIBIKZ-SFYZADRCSA-N 0 0 155.241 1.701 10 0 ADAERN CCc1ccc(C[C@@H]2CCC(=O)N2)o1 134325480 343939626 /nfs/dbraw/zinc/93/96/26/343939626.db2.gz NXYULGDXARVMIB-QMMMGPOBSA-N 0 0 193.246 1.663 10 0 ADAERN O=C1CC[C@H](Cc2ccoc2)N1 134325412 343939633 /nfs/dbraw/zinc/93/96/33/343939633.db2.gz BLRBJQHSOPHWQS-MRVPVSSYSA-N 0 0 165.192 1.101 10 0 ADAERN Cc1nc(C[C@H]2CCC(=O)N2)cs1 134326272 343939640 /nfs/dbraw/zinc/93/96/40/343939640.db2.gz IWAMTRPLERDUMX-SSDOTTSWSA-N 0 0 196.275 1.273 10 0 ADAERN Cc1ccc(C[C@H]2CCC(=O)N2)o1 134323534 343939652 /nfs/dbraw/zinc/93/96/52/343939652.db2.gz USVUQIUZDSKINS-MRVPVSSYSA-N 0 0 179.219 1.409 10 0 ADAERN C[C@]1(Cc2cccnc2)CCC(=O)N1 134327477 343939656 /nfs/dbraw/zinc/93/96/56/343939656.db2.gz OVRLPEFXVKWMRV-LLVKDONJSA-N 0 0 190.246 1.293 10 0 ADAERN 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/nfs/dbraw/zinc/94/01/13/343940113.db2.gz LESGXUPXEUSNMH-VIFPVBQESA-N 0 0 155.241 1.701 10 0 ADAERN CC[C@@]1(Cc2ccoc2)CCC(=O)N1 134335503 343940121 /nfs/dbraw/zinc/94/01/21/343940121.db2.gz MPSVWWLLEVHOLZ-NSHDSACASA-N 0 0 193.246 1.881 10 0 ADAERN Cc1cc(N[C@H]2CCSC2)nn1C 134332180 343940124 /nfs/dbraw/zinc/94/01/24/343940124.db2.gz KVERGSVOTRSHHR-QMMMGPOBSA-N 0 0 197.307 1.646 10 0 ADAERN C[N@@H+]1CCC/C(=C(\F)C(=O)[O-])C1 134329720 343940125 /nfs/dbraw/zinc/94/01/25/343940125.db2.gz LQIFZOWOALXJSM-VOTSOKGWSA-N 0 0 173.187 1.020 10 0 ADAERN C[C@]1(Cc2cccs2)CCC(=O)N1 134329293 343940132 /nfs/dbraw/zinc/94/01/32/343940132.db2.gz PHGGJKQAVJGXMT-SNVBAGLBSA-N 0 0 195.287 1.959 10 0 ADAERN C[C@]1(CC2CCOCC2)CCC(=O)N1 134328221 343940134 /nfs/dbraw/zinc/94/01/34/343940134.db2.gz DVIXMGGGQHYFKL-LLVKDONJSA-N 0 0 197.278 1.472 10 0 ADAERN Cn1cccc1C[C@@]1(C)CCC(=O)N1 134331432 343940143 /nfs/dbraw/zinc/94/01/43/343940143.db2.gz QJDFTWSGKYWFJZ-LLVKDONJSA-N 0 0 192.262 1.236 10 0 ADAERN CC[C@H](C)Nc1cc(C)n(C)n1 134332079 343940153 /nfs/dbraw/zinc/94/01/53/343940153.db2.gz MUIDRUJMWDFDAP-ZETCQYMHSA-N 0 0 167.256 1.939 10 0 ADAERN C[C@]1(Cc2ccoc2)CCC(=O)N1 134331577 343940154 /nfs/dbraw/zinc/94/01/54/343940154.db2.gz NFLQNSLVCIOKEL-SNVBAGLBSA-N 0 0 179.219 1.491 10 0 ADAERN C[C@@]1(C[C@H]2CCCO2)CCC(=O)N1 134328191 343940158 /nfs/dbraw/zinc/94/01/58/343940158.db2.gz AVUDDJFLDJHSOS-SCZZXKLOSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@@]1(Cc2ccoc2)CCC(=O)N1 134331597 343940162 /nfs/dbraw/zinc/94/01/62/343940162.db2.gz NFLQNSLVCIOKEL-JTQLQIEISA-N 0 0 179.219 1.491 10 0 ADAERN CC[C@]1(Cc2ccco2)CCC(=O)N1 134336018 343940164 /nfs/dbraw/zinc/94/01/64/343940164.db2.gz NOJHLOUJQKCHDF-LLVKDONJSA-N 0 0 193.246 1.881 10 0 ADAERN C[C@@]1(Cc2cncs2)CCC(=O)N1 134328811 343940167 /nfs/dbraw/zinc/94/01/67/343940167.db2.gz ICMNKXRHVKECIB-VIFPVBQESA-N 0 0 196.275 1.354 10 0 ADAERN C[C@@]1(Cc2cccs2)CCC(=O)N1 134329314 343940175 /nfs/dbraw/zinc/94/01/75/343940175.db2.gz PHGGJKQAVJGXMT-JTQLQIEISA-N 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C[C@]1(CC2CCC2)CCC(=O)N1 134329192 343940269 /nfs/dbraw/zinc/94/02/69/343940269.db2.gz QRWGSLOORGKTNI-SNVBAGLBSA-N 0 0 167.252 1.845 10 0 ADAERN C[C@@]1(Cc2ccncc2)CCC(=O)N1 134330769 343940270 /nfs/dbraw/zinc/94/02/70/343940270.db2.gz GCCRMGCETXQIHK-NSHDSACASA-N 0 0 190.246 1.293 10 0 ADAERN C[C@]1(Cc2cncs2)CCC(=O)N1 134328792 343940277 /nfs/dbraw/zinc/94/02/77/343940277.db2.gz ICMNKXRHVKECIB-SECBINFHSA-N 0 0 196.275 1.354 10 0 ADAERN C[C@]1(Cc2ccsc2)CCC(=O)N1 134330443 343940297 /nfs/dbraw/zinc/94/02/97/343940297.db2.gz ZAMZOWGOJYKUOY-SNVBAGLBSA-N 0 0 195.287 1.959 10 0 ADAERN C[C@]1(Cc2ccncc2)CCC(=O)N1 134330748 343940307 /nfs/dbraw/zinc/94/03/07/343940307.db2.gz GCCRMGCETXQIHK-LLVKDONJSA-N 0 0 190.246 1.293 10 0 ADAERN CC[C@]1(C[C@H]2CCCO2)CCC(=O)N1 134333385 343940309 /nfs/dbraw/zinc/94/03/09/343940309.db2.gz BGEATLQNTCIUAZ-MWLCHTKSSA-N 0 0 197.278 1.614 10 0 ADAERN C[C@]1(Cc2ccco2)CCC(=O)N1 134332250 343940314 /nfs/dbraw/zinc/94/03/14/343940314.db2.gz RHUPKSYXSDFHFZ-SNVBAGLBSA-N 0 0 179.219 1.491 10 0 ADAERN CC[C@@]1(C[C@H]2CCOC2)CCC(=O)N1 134333320 343940316 /nfs/dbraw/zinc/94/03/16/343940316.db2.gz JOBHCUCBDBOIJQ-KOLCDFICSA-N 0 0 197.278 1.472 10 0 ADAERN C[C@@]1(Cc2nccs2)CCC(=O)N1 134329531 343940318 /nfs/dbraw/zinc/94/03/18/343940318.db2.gz XTPKJOBNFZUVFL-VIFPVBQESA-N 0 0 196.275 1.354 10 0 ADAERN Cc1cncc(N[C@@H]2CCO[C@@H]2C)c1 134341913 343940461 /nfs/dbraw/zinc/94/04/61/343940461.db2.gz USMKIKSLZDGBKH-MWLCHTKSSA-N 0 0 192.262 1.979 10 0 ADAERN Cc1cncc(N[C@H]2CCO[C@@H]2C)c1 134341937 343940513 /nfs/dbraw/zinc/94/05/13/343940513.db2.gz USMKIKSLZDGBKH-KOLCDFICSA-N 0 0 192.262 1.979 10 0 ADAERN C[C@H](Nc1cnccc1CO)C1CC1 134345200 343940545 /nfs/dbraw/zinc/94/05/45/343940545.db2.gz YDRWARYWIWRFMD-QMMMGPOBSA-N 0 0 192.262 1.784 10 0 ADAERN Cc1cncc(N[C@H]2CCO[C@H]2C)c1 134341984 343940647 /nfs/dbraw/zinc/94/06/47/343940647.db2.gz USMKIKSLZDGBKH-ONGXEEELSA-N 0 0 192.262 1.979 10 0 ADAERN C[C@@H](Nc1cnccc1CO)C1CC1 134345219 343940682 /nfs/dbraw/zinc/94/06/82/343940682.db2.gz YDRWARYWIWRFMD-MRVPVSSYSA-N 0 0 192.262 1.784 10 0 ADAERN Cc1cncc(N[C@@H]2CCO[C@H]2C)c1 134341961 343940784 /nfs/dbraw/zinc/94/07/84/343940784.db2.gz USMKIKSLZDGBKH-GXSJLCMTSA-N 0 0 192.262 1.979 10 0 ADAERN CN[C@]1(C(F)(F)F)CCCN(C)C1 134359739 343941010 /nfs/dbraw/zinc/94/10/10/343941010.db2.gz QJBWZZSUVMHPJL-SSDOTTSWSA-N 0 0 196.216 1.233 10 0 ADAERN CC[C@@H]1CCCCCN1C(N)=S 134356396 343941220 /nfs/dbraw/zinc/94/12/20/343941220.db2.gz ZIMSUJNGKGVGFW-MRVPVSSYSA-N 0 0 186.324 1.885 10 0 ADAERN CC[C@H]1CCCCCN1C(N)=S 134356418 343941486 /nfs/dbraw/zinc/94/14/86/343941486.db2.gz ZIMSUJNGKGVGFW-QMMMGPOBSA-N 0 0 186.324 1.885 10 0 ADAERN CC[C@H]1CCCCCN1N 134380219 343941902 /nfs/dbraw/zinc/94/19/02/343941902.db2.gz JWFRBJRYLIUIKM-QMMMGPOBSA-N 0 0 142.246 1.515 10 0 ADAERN Cc1cc(N)n([C@H]2CCO[C@@H]2C)n1 134403108 343942269 /nfs/dbraw/zinc/94/22/69/343942269.db2.gz MLHLXAPKJSQCJY-SFYZADRCSA-N 0 0 181.239 1.124 10 0 ADAERN Cc1cnn([C@@H]2CCO[C@@H]2C)c1N 134402998 343942290 /nfs/dbraw/zinc/94/22/90/343942290.db2.gz DPPVZXMELAIVGO-HTQZYQBOSA-N 0 0 181.239 1.124 10 0 ADAERN Cc1cc(N)n([C@@H]2CCO[C@@H]2C)n1 134403084 343942296 /nfs/dbraw/zinc/94/22/96/343942296.db2.gz MLHLXAPKJSQCJY-HTQZYQBOSA-N 0 0 181.239 1.124 10 0 ADAERN Cc1ccc(C)n1N[C@H]1CCO[C@@H]1C 134396193 343942317 /nfs/dbraw/zinc/94/23/17/343942317.db2.gz WYENSZKRBSXJJK-MNOVXSKESA-N 0 0 194.278 1.826 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1CCO[C@@H]1C 134396171 343942327 /nfs/dbraw/zinc/94/23/27/343942327.db2.gz WYENSZKRBSXJJK-GHMZBOCLSA-N 0 0 194.278 1.826 10 0 ADAERN Cc1ccc(C)n1N[C@H]1CCO[C@H]1C 134396238 343942363 /nfs/dbraw/zinc/94/23/63/343942363.db2.gz WYENSZKRBSXJJK-QWRGUYRKSA-N 0 0 194.278 1.826 10 0 ADAERN Cc1cnn([C@H]2CCO[C@H]2C)c1N 134403057 343942382 /nfs/dbraw/zinc/94/23/82/343942382.db2.gz DPPVZXMELAIVGO-YUMQZZPRSA-N 0 0 181.239 1.124 10 0 ADAERN Cc1cc(N)n([C@@H]2CCO[C@H]2C)n1 134403134 343942405 /nfs/dbraw/zinc/94/24/05/343942405.db2.gz MLHLXAPKJSQCJY-JGVFFNPUSA-N 0 0 181.239 1.124 10 0 ADAERN Cc1nc(OC2CCC2)ncc1CO 134399306 343942508 /nfs/dbraw/zinc/94/25/08/343942508.db2.gz HWAGLIQQCWGEOI-UHFFFAOYSA-N 0 0 194.234 1.209 10 0 ADAERN Cc1cnn([C@H]2CCO[C@@H]2C)c1N 134403021 343942549 /nfs/dbraw/zinc/94/25/49/343942549.db2.gz DPPVZXMELAIVGO-SFYZADRCSA-N 0 0 181.239 1.124 10 0 ADAERN Cc1cc(N)n([C@H]2CCO[C@H]2C)n1 134403153 343942554 /nfs/dbraw/zinc/94/25/54/343942554.db2.gz MLHLXAPKJSQCJY-YUMQZZPRSA-N 0 0 181.239 1.124 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1CCO[C@H]1C 134396208 343942576 /nfs/dbraw/zinc/94/25/76/343942576.db2.gz WYENSZKRBSXJJK-WDEREUQCSA-N 0 0 194.278 1.826 10 0 ADAERN Cc1nc(OC(C)(C)C)ncc1CO 134398038 343942583 /nfs/dbraw/zinc/94/25/83/343942583.db2.gz QOINZOXEDBVGDM-UHFFFAOYSA-N 0 0 196.250 1.455 10 0 ADAERN Cc1nnc(NCc2cc[nH]c2)o1 134430098 343942742 /nfs/dbraw/zinc/94/27/42/343942742.db2.gz DJOGAYWUHYEPEW-UHFFFAOYSA-N 0 0 178.195 1.318 10 0 ADAERN Cc1noc(NCc2cc[nH]c2)n1 134432779 343942765 /nfs/dbraw/zinc/94/27/65/343942765.db2.gz WMRLPPSMPLUQLH-UHFFFAOYSA-N 0 0 178.195 1.318 10 0 ADAERN Cc1nsc(NCc2cc[nH]c2)n1 134434039 343942773 /nfs/dbraw/zinc/94/27/73/343942773.db2.gz YETCKTHUKQXYQU-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN C[C@H]1OCC[C@]1(O)Cc1ccsc1 134438675 343942779 /nfs/dbraw/zinc/94/27/79/343942779.db2.gz RXQQXNFEGJWOQF-SCZZXKLOSA-N 0 0 198.287 1.831 10 0 ADAERN C[C@@H]1OCC[C@]1(O)Cc1ccsc1 134438691 343942784 /nfs/dbraw/zinc/94/27/84/343942784.db2.gz RXQQXNFEGJWOQF-WPRPVWTQSA-N 0 0 198.287 1.831 10 0 ADAERN C[C@H]1OCC[C@@]1(O)c1cccnc1 134437916 343942843 /nfs/dbraw/zinc/94/28/43/343942843.db2.gz NLOJXCPSXMHNST-SCZZXKLOSA-N 0 0 179.219 1.078 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)Cc1ccccn1 134435394 343942878 /nfs/dbraw/zinc/94/28/78/343942878.db2.gz DTGIUYVDHREJQN-GXSJLCMTSA-N 0 0 193.246 1.164 10 0 ADAERN Cc1cncc([C@]2(O)CCO[C@@H]2C)c1 134439615 343942883 /nfs/dbraw/zinc/94/28/83/343942883.db2.gz CGNUAMDUKBEFDL-KOLCDFICSA-N 0 0 193.246 1.386 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)Cc1ccsc1 134438652 343942895 /nfs/dbraw/zinc/94/28/95/343942895.db2.gz RXQQXNFEGJWOQF-WCBMZHEXSA-N 0 0 198.287 1.831 10 0 ADAERN Cc1cccc([C@@]2(O)CCO[C@H]2C)c1 134433750 343942903 /nfs/dbraw/zinc/94/29/03/343942903.db2.gz ZRRBGXWHWYCNPV-CMPLNLGQSA-N 0 0 192.258 1.991 10 0 ADAERN C[C@H]1OCC[C@]1(O)Cc1ccccn1 134435416 343942905 /nfs/dbraw/zinc/94/29/05/343942905.db2.gz DTGIUYVDHREJQN-KOLCDFICSA-N 0 0 193.246 1.164 10 0 ADAERN Cc1cccc([C@@]2(O)CCO[C@@H]2C)c1 134433711 343942912 /nfs/dbraw/zinc/94/29/12/343942912.db2.gz ZRRBGXWHWYCNPV-ZYHUDNBSSA-N 0 0 192.258 1.991 10 0 ADAERN Cc1cncc([C@]2(O)CCO[C@H]2C)c1 134439661 343942942 /nfs/dbraw/zinc/94/29/42/343942942.db2.gz CGNUAMDUKBEFDL-ONGXEEELSA-N 0 0 193.246 1.386 10 0 ADAERN Cc1cccc([C@]2(O)CCO[C@H]2C)c1 134433731 343942943 /nfs/dbraw/zinc/94/29/43/343942943.db2.gz ZRRBGXWHWYCNPV-JQWIXIFHSA-N 0 0 192.258 1.991 10 0 ADAERN Cc1cncc([C@@]2(O)CCO[C@@H]2C)c1 134439638 343942983 /nfs/dbraw/zinc/94/29/83/343942983.db2.gz CGNUAMDUKBEFDL-MWLCHTKSSA-N 0 0 193.246 1.386 10 0 ADAERN Cc1cccc([C@]2(O)CCO[C@@H]2C)c1 134433688 343942985 /nfs/dbraw/zinc/94/29/85/343942985.db2.gz ZRRBGXWHWYCNPV-PWSUYJOCSA-N 0 0 192.258 1.991 10 0 ADAERN C[C@H]1OCC[C@@]1(O)Cc1ccccn1 134435371 343942993 /nfs/dbraw/zinc/94/29/93/343942993.db2.gz DTGIUYVDHREJQN-MWLCHTKSSA-N 0 0 193.246 1.164 10 0 ADAERN C[C@@H]1OCC[C@]1(O)Cc1ccccn1 134435437 343943000 /nfs/dbraw/zinc/94/30/00/343943000.db2.gz DTGIUYVDHREJQN-ONGXEEELSA-N 0 0 193.246 1.164 10 0 ADAERN C[C@H]1OCC[C@@]1(O)Cc1ccsc1 134438634 343943006 /nfs/dbraw/zinc/94/30/06/343943006.db2.gz RXQQXNFEGJWOQF-PSASIEDQSA-N 0 0 198.287 1.831 10 0 ADAERN Cc1nnc(NCc2ccoc2)o1 134428272 343943009 /nfs/dbraw/zinc/94/30/09/343943009.db2.gz FFKULIRHYCNCML-UHFFFAOYSA-N 0 0 179.179 1.583 10 0 ADAERN Cc1cncc([C@@]2(O)CCO[C@H]2C)c1 134439678 343943011 /nfs/dbraw/zinc/94/30/11/343943011.db2.gz CGNUAMDUKBEFDL-GXSJLCMTSA-N 0 0 193.246 1.386 10 0 ADAERN C[C@@H]1OCC[C@]1(O)c1cccnc1 134437979 343943013 /nfs/dbraw/zinc/94/30/13/343943013.db2.gz NLOJXCPSXMHNST-WCBMZHEXSA-N 0 0 179.219 1.078 10 0 ADAERN C[C@H]1OCC[C@]1(O)c1cccnc1 134437958 343943029 /nfs/dbraw/zinc/94/30/29/343943029.db2.gz NLOJXCPSXMHNST-PSASIEDQSA-N 0 0 179.219 1.078 10 0 ADAERN Cc1noc(NCc2ccoc2)n1 134431325 343943034 /nfs/dbraw/zinc/94/30/34/343943034.db2.gz WMUGNBPIOMBOGF-UHFFFAOYSA-N 0 0 179.179 1.583 10 0 ADAERN Cc1ccncc1[C@@]1(O)CCO[C@@H]1C 134450017 343943126 /nfs/dbraw/zinc/94/31/26/343943126.db2.gz DPZMKMXVSQPMDG-MWLCHTKSSA-N 0 0 193.246 1.386 10 0 ADAERN CCN[C@@]1(C(F)(F)F)CCO[C@@H]1C 134456161 343943132 /nfs/dbraw/zinc/94/31/32/343943132.db2.gz GOADPUAYCLMHHQ-RQJHMYQMSA-N 0 0 197.200 1.706 10 0 ADAERN Cc1ccccc1[C@@]1(O)CCO[C@@H]1C 134443962 343943139 /nfs/dbraw/zinc/94/31/39/343943139.db2.gz AKEHMTAUUSAWTI-ZYHUDNBSSA-N 0 0 192.258 1.991 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)c1cncc(F)c1 134448580 343943143 /nfs/dbraw/zinc/94/31/43/343943143.db2.gz BRGGNMXLVIUYBB-XVKPBYJWSA-N 0 0 197.209 1.217 10 0 ADAERN CCN[C@@]1(C(F)(F)F)CCO[C@H]1C 134456202 343943149 /nfs/dbraw/zinc/94/31/49/343943149.db2.gz GOADPUAYCLMHHQ-BQBZGAKWSA-N 0 0 197.200 1.706 10 0 ADAERN C[C@H]1OCC[C@@]1(O)Cc1nccs1 134445784 343943167 /nfs/dbraw/zinc/94/31/67/343943167.db2.gz MDEMDIGSIQHDFW-VXNVDRBHSA-N 0 0 199.275 1.226 10 0 ADAERN C[C@H]1OCC[C@@]1(O)c1ccccc1 134444117 343943176 /nfs/dbraw/zinc/94/31/76/343943176.db2.gz ZVXPFAWAWPMUCJ-KOLCDFICSA-N 0 0 178.231 1.683 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)Cc1nccs1 134445804 343943183 /nfs/dbraw/zinc/94/31/83/343943183.db2.gz MDEMDIGSIQHDFW-IONNQARKSA-N 0 0 199.275 1.226 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)c1ccccc1 134444143 343943226 /nfs/dbraw/zinc/94/32/26/343943226.db2.gz ZVXPFAWAWPMUCJ-ONGXEEELSA-N 0 0 178.231 1.683 10 0 ADAERN C[C@@H]1OCC[C@]1(O)c1cncc(F)c1 134448624 343943231 /nfs/dbraw/zinc/94/32/31/343943231.db2.gz BRGGNMXLVIUYBB-OIBJUYFYSA-N 0 0 197.209 1.217 10 0 ADAERN Cc1ccccc1[C@]1(O)CCO[C@H]1C 134443981 343943234 /nfs/dbraw/zinc/94/32/34/343943234.db2.gz AKEHMTAUUSAWTI-JQWIXIFHSA-N 0 0 192.258 1.991 10 0 ADAERN C[C@@H]1OCC[C@]1(O)Cc1nccs1 134445844 343943237 /nfs/dbraw/zinc/94/32/37/343943237.db2.gz MDEMDIGSIQHDFW-CBAPKCEASA-N 0 0 199.275 1.226 10 0 ADAERN C[C@H]1OCC[C@]1(O)Cc1nccs1 134445824 343943241 /nfs/dbraw/zinc/94/32/41/343943241.db2.gz MDEMDIGSIQHDFW-APPZFPTMSA-N 0 0 199.275 1.226 10 0 ADAERN CCN[C@]1(C(F)(F)F)CCO[C@@H]1C 134456141 343943248 /nfs/dbraw/zinc/94/32/48/343943248.db2.gz GOADPUAYCLMHHQ-RNFRBKRXSA-N 0 0 197.200 1.706 10 0 ADAERN C[C@H]1OCC[C@]1(O)c1cncc(F)c1 134448603 343943288 /nfs/dbraw/zinc/94/32/88/343943288.db2.gz BRGGNMXLVIUYBB-GMSGAONNSA-N 0 0 197.209 1.217 10 0 ADAERN C[C@@H]1OCC[C@]1(O)c1ccccc1 134444180 343943292 /nfs/dbraw/zinc/94/32/92/343943292.db2.gz ZVXPFAWAWPMUCJ-GXSJLCMTSA-N 0 0 178.231 1.683 10 0 ADAERN Cc1ccncc1[C@]1(O)CCO[C@H]1C 134450039 343943341 /nfs/dbraw/zinc/94/33/41/343943341.db2.gz DPZMKMXVSQPMDG-ONGXEEELSA-N 0 0 193.246 1.386 10 0 ADAERN C[C@H]1OCC[C@]1(O)c1ccccc1 134444161 343943349 /nfs/dbraw/zinc/94/33/49/343943349.db2.gz ZVXPFAWAWPMUCJ-MWLCHTKSSA-N 0 0 178.231 1.683 10 0 ADAERN C[C@H]1OCC[C@@]1(O)c1cncc(F)c1 134448558 343943350 /nfs/dbraw/zinc/94/33/50/343943350.db2.gz BRGGNMXLVIUYBB-XCBNKYQSSA-N 0 0 197.209 1.217 10 0 ADAERN CCN[C@]1(C(F)(F)F)CCO[C@H]1C 134456179 343943359 /nfs/dbraw/zinc/94/33/59/343943359.db2.gz GOADPUAYCLMHHQ-NKWVEPMBSA-N 0 0 197.200 1.706 10 0 ADAERN Cc1ccccc1[C@@]1(O)CCO[C@H]1C 134443998 343943383 /nfs/dbraw/zinc/94/33/83/343943383.db2.gz AKEHMTAUUSAWTI-CMPLNLGQSA-N 0 0 192.258 1.991 10 0 ADAERN Cc1ccncc1[C@]1(O)CCO[C@@H]1C 134449995 343943408 /nfs/dbraw/zinc/94/34/08/343943408.db2.gz DPZMKMXVSQPMDG-KOLCDFICSA-N 0 0 193.246 1.386 10 0 ADAERN Cc1ccncc1[C@@]1(O)CCO[C@H]1C 134450059 343943421 /nfs/dbraw/zinc/94/34/21/343943421.db2.gz DPZMKMXVSQPMDG-GXSJLCMTSA-N 0 0 193.246 1.386 10 0 ADAERN Cc1ccccc1[C@]1(O)CCO[C@@H]1C 134443943 343943455 /nfs/dbraw/zinc/94/34/55/343943455.db2.gz AKEHMTAUUSAWTI-PWSUYJOCSA-N 0 0 192.258 1.991 10 0 ADAERN C[C@@H]1OCC[C@]12CC(=O)NC2(C)C 134465616 343943605 /nfs/dbraw/zinc/94/36/05/343943605.db2.gz SUNUSHDBMJXFRO-XVKPBYJWSA-N 0 0 183.251 1.080 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CCO[C@@H]2C 134465665 343943705 /nfs/dbraw/zinc/94/37/05/343943705.db2.gz BAVMPTHSUHPCIT-WEDXCCLWSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1OCC[C@]12CC(=O)NC2(C)C 134465593 343943745 /nfs/dbraw/zinc/94/37/45/343943745.db2.gz SUNUSHDBMJXFRO-XCBNKYQSSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)(C)ON[C@@H]1CCCC[C@H]1O 134504876 343943835 /nfs/dbraw/zinc/94/38/35/343943835.db2.gz HZBLADZEWQGQDT-RKDXNWHRSA-N 0 0 187.283 1.610 10 0 ADAERN CC(C)(C)ON[C@@H]1CCCOCC1 134495226 343943843 /nfs/dbraw/zinc/94/38/43/343943843.db2.gz JGVZNMDXQLFGQT-SECBINFHSA-N 0 0 187.283 1.875 10 0 ADAERN Cc1c(N)cccc1NC=O 136935883 343982763 /nfs/dbraw/zinc/98/27/63/343982763.db2.gz DUDSTHRIMDEJMH-UHFFFAOYSA-N 0 0 150.181 1.146 10 0 ADAERN CC(C)(C)ON[C@@H]1CCCC[C@@H]1O 134504836 343943854 /nfs/dbraw/zinc/94/38/54/343943854.db2.gz HZBLADZEWQGQDT-BDAKNGLRSA-N 0 0 187.283 1.610 10 0 ADAERN CC(C)(C)ON[C@H]1CCCC[C@@H]1O 134504854 343943873 /nfs/dbraw/zinc/94/38/73/343943873.db2.gz HZBLADZEWQGQDT-IUCAKERBSA-N 0 0 187.283 1.610 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]12CCO[C@@H]2C 134465713 343943882 /nfs/dbraw/zinc/94/38/82/343943882.db2.gz BAVMPTHSUHPCIT-KHQFGBGNSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1OCC[C@@]12CC(=O)NC2(C)C 134465550 343943891 /nfs/dbraw/zinc/94/38/91/343943891.db2.gz SUNUSHDBMJXFRO-GMSGAONNSA-N 0 0 183.251 1.080 10 0 ADAERN CCc1cc(NC(C)C)n(C)n1 134481617 343943916 /nfs/dbraw/zinc/94/39/16/343943916.db2.gz PVVNMRJOTCXDKH-UHFFFAOYSA-N 0 0 167.256 1.803 10 0 ADAERN CC(C)(C)ON[C@H]1CCCC[C@H]1O 134504898 343943918 /nfs/dbraw/zinc/94/39/18/343943918.db2.gz HZBLADZEWQGQDT-DTWKUNHWSA-N 0 0 187.283 1.610 10 0 ADAERN C[C@@H]1OCC[C@@]12CC(=O)NC2(C)C 134465572 343943950 /nfs/dbraw/zinc/94/39/50/343943950.db2.gz SUNUSHDBMJXFRO-OIBJUYFYSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)(C)ON[C@H]1CCCOCC1 134495247 343943956 /nfs/dbraw/zinc/94/39/56/343943956.db2.gz 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343950392 /nfs/dbraw/zinc/95/03/92/343950392.db2.gz RNPDMLXLRTZQLI-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC[C@H]([NH3+])c1cc(C(=O)[O-])n(C)c1 134880407 343950461 /nfs/dbraw/zinc/95/04/61/343950461.db2.gz RCMWGPVZVMKYFO-ZETCQYMHSA-N 0 0 182.223 1.133 10 0 ADAERN CC[C@@H]([NH3+])c1cc(C(=O)[O-])n(C)c1 134880387 343950564 /nfs/dbraw/zinc/95/05/64/343950564.db2.gz RCMWGPVZVMKYFO-SSDOTTSWSA-N 0 0 182.223 1.133 10 0 ADAERN CCOC[C@]1(O)C=CCCC1 137559387 343986342 /nfs/dbraw/zinc/98/63/42/343986342.db2.gz WIIIQPSKIDWKMR-VIFPVBQESA-N 0 0 156.225 1.494 10 0 ADAERN C[NH+](C)[C@@H]1CCC[C@@]1(C)C(=O)[O-] 134917208 343950790 /nfs/dbraw/zinc/95/07/90/343950790.db2.gz WTPJQMZDJAOPKX-VXNVDRBHSA-N 0 0 171.240 1.191 10 0 ADAERN C[NH+](C)[C@H]1CCC[C@]1(C)C(=O)[O-] 134917154 343950841 /nfs/dbraw/zinc/95/08/41/343950841.db2.gz WTPJQMZDJAOPKX-CBAPKCEASA-N 0 0 171.240 1.191 10 0 ADAERN CCN1C(=O)N[C@@H]2CCC[C@@]2(C)C1=O 134916760 343950894 /nfs/dbraw/zinc/95/08/94/343950894.db2.gz DREKMMFSFJHVFA-GMSGAONNSA-N 0 0 196.250 1.117 10 0 ADAERN C[NH+](C)[C@@H]1CCC[C@]1(C)C(=O)[O-] 134917192 343950915 /nfs/dbraw/zinc/95/09/15/343950915.db2.gz WTPJQMZDJAOPKX-APPZFPTMSA-N 0 0 171.240 1.191 10 0 ADAERN CCN1C(=O)N[C@H]2CCC[C@]2(C)C1=O 134916747 343950920 /nfs/dbraw/zinc/95/09/20/343950920.db2.gz DREKMMFSFJHVFA-XVKPBYJWSA-N 0 0 196.250 1.117 10 0 ADAERN CCN1C(=O)N[C@H]2CCC[C@@]2(C)C1=O 134916722 343950941 /nfs/dbraw/zinc/95/09/41/343950941.db2.gz DREKMMFSFJHVFA-OIBJUYFYSA-N 0 0 196.250 1.117 10 0 ADAERN CCN1C(=O)N[C@@H]2CCC[C@]2(C)C1=O 134916783 343951093 /nfs/dbraw/zinc/95/10/93/343951093.db2.gz DREKMMFSFJHVFA-XCBNKYQSSA-N 0 0 196.250 1.117 10 0 ADAERN C[NH+](C)[C@H]1CCC[C@@]1(C)C(=O)[O-] 134917170 343951113 /nfs/dbraw/zinc/95/11/13/343951113.db2.gz WTPJQMZDJAOPKX-IONNQARKSA-N 0 0 171.240 1.191 10 0 ADAERN CCc1c[nH]nc1NC(=O)CC(C)C 134920763 343951195 /nfs/dbraw/zinc/95/11/95/343951195.db2.gz ZVNPFAJMSQKFDV-UHFFFAOYSA-N 0 0 195.266 1.957 10 0 ADAERN COc1c(N)ncnc1OC(C)(C)C 134933331 343951617 /nfs/dbraw/zinc/95/16/17/343951617.db2.gz ZWFJPKNWKMGEPT-UHFFFAOYSA-N 0 0 197.238 1.245 10 0 ADAERN CCSc1ncnc(NC)c1OC 134960441 343951969 /nfs/dbraw/zinc/95/19/69/343951969.db2.gz MKBLVTPZGUYWCU-UHFFFAOYSA-N 0 0 199.279 1.639 10 0 ADAERN CNc1ncnc(OC(C)C)c1OC 134936689 343952009 /nfs/dbraw/zinc/95/20/09/343952009.db2.gz WXJUFBRLBBHIHQ-UHFFFAOYSA-N 0 0 197.238 1.314 10 0 ADAERN CNc1ncnc(SC)c1OC 134963539 343952292 /nfs/dbraw/zinc/95/22/92/343952292.db2.gz SQOMAROBEFOJOZ-UHFFFAOYSA-N 0 0 185.252 1.249 10 0 ADAERN COc1c(N)ncnc1SC(C)C 134963246 343952307 /nfs/dbraw/zinc/95/23/07/343952307.db2.gz UCKFSHLLONEYBN-UHFFFAOYSA-N 0 0 199.279 1.568 10 0 ADAERN O[C@H](c1ccccc1)c1cnsn1 135037953 343953255 /nfs/dbraw/zinc/95/32/55/343953255.db2.gz ZXAMOLIBMYDOFY-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN O[C@@H](c1ccccc1)c1cnsn1 135037936 343953346 /nfs/dbraw/zinc/95/33/46/343953346.db2.gz ZXAMOLIBMYDOFY-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN CC(C)C[C@@H](O)c1ccnnc1 135031951 343953402 /nfs/dbraw/zinc/95/34/02/343953402.db2.gz WWRUXTHHDXZIRY-SECBINFHSA-N 0 0 166.224 1.556 10 0 ADAERN CC(C)C[C@H](O)c1ccnnc1 135031930 343953522 /nfs/dbraw/zinc/95/35/22/343953522.db2.gz WWRUXTHHDXZIRY-VIFPVBQESA-N 0 0 166.224 1.556 10 0 ADAERN CCC(=O)c1cnsn1 135048847 343953727 /nfs/dbraw/zinc/95/37/27/343953727.db2.gz AKGNPUGZCFGIHE-UHFFFAOYSA-N 0 0 142.183 1.131 10 0 ADAERN CCC(=O)c1cc(C)nn1CC 135052628 343953788 /nfs/dbraw/zinc/95/37/88/343953788.db2.gz JUELGSGVZCLLNN-UHFFFAOYSA-N 0 0 166.224 1.804 10 0 ADAERN CCCC(=O)c1cnsn1 135063067 343953871 /nfs/dbraw/zinc/95/38/71/343953871.db2.gz ILDOLSJHLMKFDO-UHFFFAOYSA-N 0 0 156.210 1.521 10 0 ADAERN CCC(=O)c1csnn1 135053106 343954014 /nfs/dbraw/zinc/95/40/14/343954014.db2.gz NFXPYJIMJJTZKG-UHFFFAOYSA-N 0 0 142.183 1.131 10 0 ADAERN Cc1cccc(N)c1N[C@@H](C)CO 135079331 343954138 /nfs/dbraw/zinc/95/41/38/343954138.db2.gz XFDOZPZCXKBVBM-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cccc(N)c1N[C@H](C)CO 135079349 343954305 /nfs/dbraw/zinc/95/43/05/343954305.db2.gz XFDOZPZCXKBVBM-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cc(C(=O)CC(C)C)n(C)n1 135082616 343954379 /nfs/dbraw/zinc/95/43/79/343954379.db2.gz HCLGEDCPDQPTKW-UHFFFAOYSA-N 0 0 180.251 1.957 10 0 ADAERN CC(C)CC(=O)c1cnsn1 135081137 343954501 /nfs/dbraw/zinc/95/45/01/343954501.db2.gz SAKWXDYDOPVTDS-UHFFFAOYSA-N 0 0 170.237 1.767 10 0 ADAERN O=C(c1ccccc1)c1csnn1 135088151 343954669 /nfs/dbraw/zinc/95/46/69/343954669.db2.gz UOKDRHOKONNYTN-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN Cc1ccnc(N(C)C)c1C(N)=S 135100415 343954796 /nfs/dbraw/zinc/95/47/96/343954796.db2.gz HEJXTSNIMLEBAT-UHFFFAOYSA-N 0 0 195.291 1.090 10 0 ADAERN CC[C@H](NC)c1cnsn1 135110970 343954808 /nfs/dbraw/zinc/95/48/08/343954808.db2.gz WBQUUVUMOZMVRM-YFKPBYRVSA-N 0 0 157.242 1.209 10 0 ADAERN CC[C@@H](NC)c1cnsn1 135110986 343954838 /nfs/dbraw/zinc/95/48/38/343954838.db2.gz WBQUUVUMOZMVRM-RXMQYKEDSA-N 0 0 157.242 1.209 10 0 ADAERN CCNc1nccc(C)c1C(N)=S 135096022 343954841 /nfs/dbraw/zinc/95/48/41/343954841.db2.gz TYMKHZLDHAIZRA-UHFFFAOYSA-N 0 0 195.291 1.456 10 0 ADAERN CC(=O)Cc1c(C)nn(C)c1Cl 135141882 343955165 /nfs/dbraw/zinc/95/51/65/343955165.db2.gz CCTWCONEKMBGQS-UHFFFAOYSA-N 0 0 186.642 1.513 10 0 ADAERN O=Cc1cncc(-n2ccnc2)c1 135131578 343955315 /nfs/dbraw/zinc/95/53/15/343955315.db2.gz DLRKJRBBUIAKHC-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN COc1nccc(C)c1C(N)=S 135130780 343955321 /nfs/dbraw/zinc/95/53/21/343955321.db2.gz XHPPSIKUCQKKLW-UHFFFAOYSA-N 0 0 182.248 1.033 10 0 ADAERN COCC(C)(C)Nc1ccc(N)cn1 135142579 343955335 /nfs/dbraw/zinc/95/53/35/343955335.db2.gz KIHCYPAOYYKWGO-UHFFFAOYSA-N 0 0 195.266 1.501 10 0 ADAERN O=C(NOC1CCCC1)n1ccnc1 135117505 343955390 /nfs/dbraw/zinc/95/53/90/343955390.db2.gz HXAQYVOPZCNALS-UHFFFAOYSA-N 0 0 195.222 1.315 10 0 ADAERN COCC(C)(C)Nc1ccc(C)nn1 135148703 343955826 /nfs/dbraw/zinc/95/58/26/343955826.db2.gz JJBURNVKFNKRCV-UHFFFAOYSA-N 0 0 195.266 1.622 10 0 ADAERN CC(C)C[C@](C)(O)c1cncnc1 135175852 343956616 /nfs/dbraw/zinc/95/66/16/343956616.db2.gz SKGHVXPHBJDNPF-JTQLQIEISA-N 0 0 180.251 1.730 10 0 ADAERN CC(C)C[C@@](C)(O)c1cncnc1 135175866 343956833 /nfs/dbraw/zinc/95/68/33/343956833.db2.gz SKGHVXPHBJDNPF-SNVBAGLBSA-N 0 0 180.251 1.730 10 0 ADAERN C[C@@H]1CCN(C(N)=S)C[C@@H]1C 135197696 343956994 /nfs/dbraw/zinc/95/69/94/343956994.db2.gz RRIOBLAOQWYXRB-RQJHMYQMSA-N 0 0 172.297 1.208 10 0 ADAERN C[C@H]1CCN(C(N)=S)C[C@H]1C 135197757 343957024 /nfs/dbraw/zinc/95/70/24/343957024.db2.gz RRIOBLAOQWYXRB-NKWVEPMBSA-N 0 0 172.297 1.208 10 0 ADAERN CC1(C)CN(C(N)=S)CCS1 135212399 343957038 /nfs/dbraw/zinc/95/70/38/343957038.db2.gz YGAOHPOOZMNPCC-UHFFFAOYSA-N 0 0 190.337 1.057 10 0 ADAERN CCCNc1[nH+]ccc(C)c1C(=O)[O-] 135218070 343957067 /nfs/dbraw/zinc/95/70/67/343957067.db2.gz HHTYXJYPBKDUKB-UHFFFAOYSA-N 0 0 194.234 1.910 10 0 ADAERN O=C(Nc1ccccc1)c1ccnnc1 135205348 343957186 /nfs/dbraw/zinc/95/71/86/343957186.db2.gz LPVRVKFHHVAPTA-UHFFFAOYSA-N 0 0 199.213 1.729 10 0 ADAERN C[C@@H]1CN(C(N)=S)CC[C@H]1C 135197737 343957323 /nfs/dbraw/zinc/95/73/23/343957323.db2.gz RRIOBLAOQWYXRB-RNFRBKRXSA-N 0 0 172.297 1.208 10 0 ADAERN C[C@H]1CCN(C(N)=S)C[C@@H]1C 135197717 343957401 /nfs/dbraw/zinc/95/74/01/343957401.db2.gz RRIOBLAOQWYXRB-BQBZGAKWSA-N 0 0 172.297 1.208 10 0 ADAERN CNc1[nH+]ccc(C)c1C(=O)[O-] 135218338 343957402 /nfs/dbraw/zinc/95/74/02/343957402.db2.gz NVRBDTFIDISKNM-UHFFFAOYSA-N 0 0 166.180 1.130 10 0 ADAERN Cc1cc[nH+]c(NC2CC2)c1C(=O)[O-] 135218228 343957415 /nfs/dbraw/zinc/95/74/15/343957415.db2.gz CWKASGNCRGPBST-UHFFFAOYSA-N 0 0 192.218 1.663 10 0 ADAERN CCNc1[nH+]ccc(C)c1C(=O)[O-] 135218385 343957479 /nfs/dbraw/zinc/95/74/79/343957479.db2.gz KBPJZJRVLUFGJS-UHFFFAOYSA-N 0 0 180.207 1.520 10 0 ADAERN CCC[C@H](O)c1ccnnc1 135281478 343957770 /nfs/dbraw/zinc/95/77/70/343957770.db2.gz JNIXBLZVACEYAU-QMMMGPOBSA-N 0 0 152.197 1.310 10 0 ADAERN Cc1cccc(F)c1NCC(N)=O 135237725 343957850 /nfs/dbraw/zinc/95/78/50/343957850.db2.gz QGLUJXINTXQMFI-UHFFFAOYSA-N 0 0 182.198 1.031 10 0 ADAERN Cc1ccc(N[C@H](C)[C@H](C)CO)nc1 135244807 343957854 /nfs/dbraw/zinc/95/78/54/343957854.db2.gz WUKSXYAREJJUNE-NXEZZACHSA-N 0 0 194.278 1.819 10 0 ADAERN CCC[C@@H](O)c1ccnnc1 135281499 343957906 /nfs/dbraw/zinc/95/79/06/343957906.db2.gz JNIXBLZVACEYAU-MRVPVSSYSA-N 0 0 152.197 1.310 10 0 ADAERN C=CS(=O)(=O)c1ccnc(C)c1 135276737 343957927 /nfs/dbraw/zinc/95/79/27/343957927.db2.gz ZAGJTRGSXSJBJH-UHFFFAOYSA-N 0 0 183.232 1.307 10 0 ADAERN N[C@@H](c1ccccc1)c1cnsn1 135312967 343958266 /nfs/dbraw/zinc/95/82/66/343958266.db2.gz JZRBXRHLSTZEPQ-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN N[C@H](c1ccccc1)c1cnsn1 135312990 343958330 /nfs/dbraw/zinc/95/83/30/343958330.db2.gz JZRBXRHLSTZEPQ-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN N[C@@H](c1ccccc1)c1cnns1 135316159 343958341 /nfs/dbraw/zinc/95/83/41/343958341.db2.gz JSDRACYTZKMWOE-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN N[C@H](c1ccccc1)c1cnns1 135316181 343958346 /nfs/dbraw/zinc/95/83/46/343958346.db2.gz JSDRACYTZKMWOE-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN C/C=C/C(=O)Nc1ccc(Cl)nn1 135351502 343959562 /nfs/dbraw/zinc/95/95/62/343959562.db2.gz LWQBYEHDTXXBMZ-NSCUHMNNSA-N 0 0 197.625 1.645 10 0 ADAERN C/C=C/C(=O)NC[C@H]1C[C@@H]1C 135350315 343959718 /nfs/dbraw/zinc/95/97/18/343959718.db2.gz RVSMHTKZWNDIIZ-XMYQNILUSA-N 0 0 153.225 1.335 10 0 ADAERN C/C=C/C(=O)NC1(C)CC1 135351998 343959735 /nfs/dbraw/zinc/95/97/35/343959735.db2.gz VIYCJLUSNKDJTE-ONEGZZNKSA-N 0 0 139.198 1.231 10 0 ADAERN C/C=C/C(=O)NC[C@H]1C[C@H]1C 135350352 343959765 /nfs/dbraw/zinc/95/97/65/343959765.db2.gz RVSMHTKZWNDIIZ-ATXJSMISSA-N 0 0 153.225 1.335 10 0 ADAERN C/C=C/C(=O)Nc1nc(C)ns1 135354181 343959795 /nfs/dbraw/zinc/95/97/95/343959795.db2.gz DILFGYYDMVVWRY-ONEGZZNKSA-N 0 0 183.236 1.361 10 0 ADAERN C=CC(=O)N1CCS[C@@H](C)C1 135387025 343960604 /nfs/dbraw/zinc/96/06/04/343960604.db2.gz XYBUHLDFFDRGBE-ZETCQYMHSA-N 0 0 171.265 1.136 10 0 ADAERN CS[C@@H](C)CN1C(=O)C=C(C)C1=O 135364874 343960107 /nfs/dbraw/zinc/96/01/07/343960107.db2.gz CBEWVIXBESCLEN-ZETCQYMHSA-N 0 0 199.275 1.053 10 0 ADAERN CC(C)=CC(=O)NC(C)(C)[C@@H](C)O 135360429 343960110 /nfs/dbraw/zinc/96/01/10/343960110.db2.gz WSUNYNFKWODUGA-MRVPVSSYSA-N 0 0 185.267 1.228 10 0 ADAERN C/C=C/CCN1C(=O)C=C(C)C1=O 135363627 343960172 /nfs/dbraw/zinc/96/01/72/343960172.db2.gz SJLLYEHBBFPQJP-ONEGZZNKSA-N 0 0 179.219 1.268 10 0 ADAERN CC1=CC(=O)N(C2CC=CC2)C1=O 135368479 343960192 /nfs/dbraw/zinc/96/01/92/343960192.db2.gz NKLODQYXASAPCA-UHFFFAOYSA-N 0 0 177.203 1.020 10 0 ADAERN CC(C)=CC(=O)NC(C)(C)[C@H](C)O 135360404 343960200 /nfs/dbraw/zinc/96/02/00/343960200.db2.gz WSUNYNFKWODUGA-QMMMGPOBSA-N 0 0 185.267 1.228 10 0 ADAERN C[C@@H]1C/C(=C(\F)C(=O)[O-])C[N@@H+]1C1CC1 135379280 343960593 /nfs/dbraw/zinc/96/05/93/343960593.db2.gz OEAOFVXCHSCEOB-LPWOPMKCSA-N 0 0 199.225 1.551 10 0 ADAERN Cn1cc2c(c1)C(=O)CCCC2 135385402 343960601 /nfs/dbraw/zinc/96/06/01/343960601.db2.gz ZDYNKSFWCVEVAY-UHFFFAOYSA-N 0 0 163.220 1.934 10 0 ADAERN C=CC(=O)NC1(CC)CCC1 135377403 343960621 /nfs/dbraw/zinc/96/06/21/343960621.db2.gz NXNZFWZWUFGIIL-UHFFFAOYSA-N 0 0 153.225 1.621 10 0 ADAERN C[C@H]1C/C(=C(\F)C(=O)[O-])C[N@@H+]1C1CC1 135379301 343960642 /nfs/dbraw/zinc/96/06/42/343960642.db2.gz OEAOFVXCHSCEOB-OQHQPDIQSA-N 0 0 199.225 1.551 10 0 ADAERN O=C1CCCCc2cn(CCO)cc21 135383038 343960652 /nfs/dbraw/zinc/96/06/52/343960652.db2.gz RLOIMUBSZSQEKQ-UHFFFAOYSA-N 0 0 193.246 1.390 10 0 ADAERN CCC1(N2C(=O)C=CC2=O)CCC1 135377457 343960757 /nfs/dbraw/zinc/96/07/57/343960757.db2.gz QVLPVVFNDMRXQG-UHFFFAOYSA-N 0 0 179.219 1.244 10 0 ADAERN C/C(CC1CC1)=C1/CC(=O)NC1=O 135378521 343960773 /nfs/dbraw/zinc/96/07/73/343960773.db2.gz XTWGNMDTTSNXMB-SOFGYWHQSA-N 0 0 179.219 1.150 10 0 ADAERN C=CC(=O)NC1(C)CCC1 135375434 343960778 /nfs/dbraw/zinc/96/07/78/343960778.db2.gz RIGNBHPZLSOADK-UHFFFAOYSA-N 0 0 139.198 1.231 10 0 ADAERN C[C@H]1C[C@@H](C)[N@@H+](/C=C/C(=O)[O-])C1 135397018 343961032 /nfs/dbraw/zinc/96/10/32/343961032.db2.gz DROUADIFXBQECU-XMYQNILUSA-N 0 0 169.224 1.315 10 0 ADAERN COC(=O)/C=C/c1cc(O)cc(F)c1 135398999 343961039 /nfs/dbraw/zinc/96/10/39/343961039.db2.gz XPQRSAQMEVGOHW-NSCUHMNNSA-N 0 0 196.177 1.718 10 0 ADAERN COCCn1cc2c(c1)C(=O)CCC2 135394068 343961045 /nfs/dbraw/zinc/96/10/45/343961045.db2.gz BDJPBRKAAUMBLO-UHFFFAOYSA-N 0 0 193.246 1.654 10 0 ADAERN C/C=C/C(=O)Nc1cccc(N)c1 135394543 343961063 /nfs/dbraw/zinc/96/10/63/343961063.db2.gz HZQDHIIPALFWPB-DUXPYHPUSA-N 0 0 176.219 1.783 10 0 ADAERN C[C@H]1C[N@@H+](/C=C/C(=O)[O-])CCS1 135387544 343961126 /nfs/dbraw/zinc/96/11/26/343961126.db2.gz RUPKDPUIVRIQBM-AIYRYJHASA-N 0 0 187.264 1.022 10 0 ADAERN COCn1cc2c(c1)C(=O)CCC2 135399189 343961143 /nfs/dbraw/zinc/96/11/43/343961143.db2.gz ZUQDSYZDOYYHPM-UHFFFAOYSA-N 0 0 179.219 1.611 10 0 ADAERN C[C@H]1C[C@@H](C)C[N@@H+]1/C=C/C(=O)[O-] 135396959 343961149 /nfs/dbraw/zinc/96/11/49/343961149.db2.gz DROUADIFXBQECU-ZGNIKFQOSA-N 0 0 169.224 1.315 10 0 ADAERN C=CC(=O)Nc1ccc(Cl)nn1 135399432 343961160 /nfs/dbraw/zinc/96/11/60/343961160.db2.gz UHFQSYRJDQVQKT-UHFFFAOYSA-N 0 0 183.598 1.255 10 0 ADAERN C[C@@H]1C[C@@H](C)[N@@H+](/C=C/C(=O)[O-])C1 135397000 343961165 /nfs/dbraw/zinc/96/11/65/343961165.db2.gz DROUADIFXBQECU-ATXJSMISSA-N 0 0 169.224 1.315 10 0 ADAERN C[C@H](O)Cn1cc2c(c1)C(=O)CCC2 135399024 343961193 /nfs/dbraw/zinc/96/11/93/343961193.db2.gz MVOXQZZCWUWWOG-QMMMGPOBSA-N 0 0 193.246 1.388 10 0 ADAERN C[C@H]1CC[N@@H+](/C=C/C(=O)[O-])C[C@@H]1C 135392627 343961210 /nfs/dbraw/zinc/96/12/10/343961210.db2.gz BXNUTGBUUQXJOS-AIZLHNLISA-N 0 0 183.251 1.563 10 0 ADAERN C[N@H+](/C=C/C(=O)[O-])C1CCC1 135389957 343961229 /nfs/dbraw/zinc/96/12/29/343961229.db2.gz RKTLYIFMHUVLFW-AATRIKPKSA-N 0 0 155.197 1.069 10 0 ADAERN C[C@@H]1C[N@@H+](/C=C/C(=O)[O-])CCS1 135387522 343961254 /nfs/dbraw/zinc/96/12/54/343961254.db2.gz RUPKDPUIVRIQBM-TYWZFMJISA-N 0 0 187.264 1.022 10 0 ADAERN C=CC(=O)NCc1ccoc1 135391337 343961272 /nfs/dbraw/zinc/96/12/72/343961272.db2.gz HRERCVODWDDSJU-UHFFFAOYSA-N 0 0 151.165 1.082 10 0 ADAERN C[C@H]1C[C@H](C)[N@@H+](/C=C/C(=O)[O-])C1 135396983 343961294 /nfs/dbraw/zinc/96/12/94/343961294.db2.gz DROUADIFXBQECU-HENSLRDNSA-N 0 0 169.224 1.315 10 0 ADAERN C[C@@H](O)Cn1cc2c(c1)C(=O)CCC2 135399042 343961305 /nfs/dbraw/zinc/96/13/05/343961305.db2.gz MVOXQZZCWUWWOG-MRVPVSSYSA-N 0 0 193.246 1.388 10 0 ADAERN C[C@@H]1CC[N@@H+](/C=C/C(=O)[O-])C[C@@H]1C 135392604 343961306 /nfs/dbraw/zinc/96/13/06/343961306.db2.gz BXNUTGBUUQXJOS-OGSWXMBVSA-N 0 0 183.251 1.563 10 0 ADAERN C=CC(=O)Nc1nc(C)co1 135391552 343961311 /nfs/dbraw/zinc/96/13/11/343961311.db2.gz QIYGBGTVJOGKEQ-UHFFFAOYSA-N 0 0 152.153 1.108 10 0 ADAERN O[C@H]1CCCCc2c[nH]cc21 135407711 343961594 /nfs/dbraw/zinc/96/15/94/343961594.db2.gz ZRWLJAVJWCXUND-VIFPVBQESA-N 0 0 151.209 1.775 10 0 ADAERN COCn1cc2c(c1)[C@H](O)CCCC2 135415306 343961847 /nfs/dbraw/zinc/96/18/47/343961847.db2.gz ODGUNBPDVPQATL-LLVKDONJSA-N 0 0 195.262 1.852 10 0 ADAERN COCn1cc2c(c1)[C@@H](O)CCCC2 135415324 343962029 /nfs/dbraw/zinc/96/20/29/343962029.db2.gz ODGUNBPDVPQATL-NSHDSACASA-N 0 0 195.262 1.852 10 0 ADAERN Cn1cc2c(c1)[C@@H](O)CCCC2 135411629 343962177 /nfs/dbraw/zinc/96/21/77/343962177.db2.gz XKVZKISRDTUEPT-JTQLQIEISA-N 0 0 165.236 1.785 10 0 ADAERN Cn1cc2c(c1)[C@H](O)CCCC2 135411612 343962196 /nfs/dbraw/zinc/96/21/96/343962196.db2.gz XKVZKISRDTUEPT-SNVBAGLBSA-N 0 0 165.236 1.785 10 0 ADAERN OCCn1cc2c(c1)[C@@H](O)CCCC2 135423030 343962829 /nfs/dbraw/zinc/96/28/29/343962829.db2.gz VZMCXCUKEVUZSY-NSHDSACASA-N 0 0 195.262 1.240 10 0 ADAERN OCCn1cc2c(c1)[C@H](O)CCCC2 135423007 343962963 /nfs/dbraw/zinc/96/29/63/343962963.db2.gz VZMCXCUKEVUZSY-LLVKDONJSA-N 0 0 195.262 1.240 10 0 ADAERN CO[C@H](C)[C@H](C)[C@H](C)O 141728621 344007987 /nfs/dbraw/zinc/00/79/87/344007987.db2.gz DXKCNXIRZXSQNT-DSYKOEDSSA-N 0 0 132.203 1.038 10 0 ADAERN COCn1cc2c(c1)[C@@H](O)CCC2 135441900 343963165 /nfs/dbraw/zinc/96/31/65/343963165.db2.gz OMVYHOUOOURHFC-JTQLQIEISA-N 0 0 181.235 1.462 10 0 ADAERN CCn1cc2c(c1)[C@@H](O)CCC2 135440398 343963176 /nfs/dbraw/zinc/96/31/76/343963176.db2.gz ZLSNUMRXMWURBS-JTQLQIEISA-N 0 0 165.236 1.878 10 0 ADAERN OCCCn1cc2c(c1)[C@H](O)CCC2 135433964 343963199 /nfs/dbraw/zinc/96/31/99/343963199.db2.gz ZGHCABITUQNVKG-LLVKDONJSA-N 0 0 195.262 1.240 10 0 ADAERN Cn1nc(C(C)(C)C)[nH]c1=S 135443805 343963216 /nfs/dbraw/zinc/96/32/16/343963216.db2.gz OSPLLBFOYINQFW-UHFFFAOYSA-N 0 0 171.269 1.401 10 0 ADAERN O[C@H]1CCCc2c[nH]cc21 135434968 343963226 /nfs/dbraw/zinc/96/32/26/343963226.db2.gz TWNBFKFDYPBVTR-QMMMGPOBSA-N 0 0 137.182 1.384 10 0 ADAERN COCn1cc2c(c1)[C@H](O)CCC2 135441881 343963231 /nfs/dbraw/zinc/96/32/31/343963231.db2.gz OMVYHOUOOURHFC-SNVBAGLBSA-N 0 0 181.235 1.462 10 0 ADAERN CCn1cc2c(c1)[C@H](O)CCC2 135440382 343963262 /nfs/dbraw/zinc/96/32/62/343963262.db2.gz ZLSNUMRXMWURBS-SNVBAGLBSA-N 0 0 165.236 1.878 10 0 ADAERN O[C@@H]1CCCc2c[nH]cc21 135434948 343963311 /nfs/dbraw/zinc/96/33/11/343963311.db2.gz TWNBFKFDYPBVTR-MRVPVSSYSA-N 0 0 137.182 1.384 10 0 ADAERN OCCCn1cc2c(c1)[C@@H](O)CCC2 135433984 343963351 /nfs/dbraw/zinc/96/33/51/343963351.db2.gz ZGHCABITUQNVKG-NSHDSACASA-N 0 0 195.262 1.240 10 0 ADAERN Cc1ccncc1CNn1cccc1 135465581 343963574 /nfs/dbraw/zinc/96/35/74/343963574.db2.gz AYCYAYKDVDHCKR-UHFFFAOYSA-N 0 0 187.246 1.935 10 0 ADAERN C[C@@H](CO)N(C)C(=O)c1ccccc1 135451098 343963667 /nfs/dbraw/zinc/96/36/67/343963667.db2.gz BHSVXDPLXNGQNG-VIFPVBQESA-N 0 0 193.246 1.139 10 0 ADAERN CCN1CCc2cc(C)c(N)cc21 135490055 343964258 /nfs/dbraw/zinc/96/42/58/343964258.db2.gz QCTCYXPTSJUKML-UHFFFAOYSA-N 0 0 176.263 1.960 10 0 ADAERN FC(F)Sc1nncs1 141952271 344009262 /nfs/dbraw/zinc/00/92/62/344009262.db2.gz CRHKMHPIEORBKV-UHFFFAOYSA-N 0 0 168.193 1.853 10 0 ADAERN Cc1ccncc1-c1ncn(C)c1N 135520132 343964964 /nfs/dbraw/zinc/96/49/64/343964964.db2.gz GNQFUBQQPKMTGK-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1ccncc1[C@@H]1OCC[C@@H]1CO 135567512 343965406 /nfs/dbraw/zinc/96/54/06/343965406.db2.gz HKRSGCLUTQNZTK-MWLCHTKSSA-N 0 0 193.246 1.460 10 0 ADAERN Cc1ccncc1[C@@H]1CC(=O)N[C@@H]1C 135557668 343965409 /nfs/dbraw/zinc/96/54/09/343965409.db2.gz JMSSPFMGLWCPON-RKDXNWHRSA-N 0 0 190.246 1.382 10 0 ADAERN Cc1ccncc1[C@@H]1CC(=O)N[C@H]1C 135557706 343965415 /nfs/dbraw/zinc/96/54/15/343965415.db2.gz JMSSPFMGLWCPON-DTWKUNHWSA-N 0 0 190.246 1.382 10 0 ADAERN CNc1ccnc([C@@H]2CC[C@H](C)O2)n1 135572872 343965418 /nfs/dbraw/zinc/96/54/18/343965418.db2.gz KCJOFTDJJUMFAS-YUMQZZPRSA-N 0 0 193.250 1.758 10 0 ADAERN Cc1ccncc1[C@H]1CC(=O)N[C@@H]1C 135557686 343965430 /nfs/dbraw/zinc/96/54/30/343965430.db2.gz JMSSPFMGLWCPON-BDAKNGLRSA-N 0 0 190.246 1.382 10 0 ADAERN Cc1ccncc1[C@H]1CNC(=O)O1 135556891 343965432 /nfs/dbraw/zinc/96/54/32/343965432.db2.gz WBOOKASWWMVZIJ-MRVPVSSYSA-N 0 0 178.191 1.171 10 0 ADAERN Cc1ccncc1[C@@H]1CNC(=O)O1 135556877 343965438 /nfs/dbraw/zinc/96/54/38/343965438.db2.gz WBOOKASWWMVZIJ-QMMMGPOBSA-N 0 0 178.191 1.171 10 0 ADAERN Cc1ccncc1[C@@H]1C[C@@H]1CO 135570069 343965493 /nfs/dbraw/zinc/96/54/93/343965493.db2.gz JXTYWYAUYCDUBI-RKDXNWHRSA-N 0 0 163.220 1.486 10 0 ADAERN CNc1ccnc([C@H]2CC[C@@H](C)O2)n1 135572825 343965521 /nfs/dbraw/zinc/96/55/21/343965521.db2.gz KCJOFTDJJUMFAS-HTQZYQBOSA-N 0 0 193.250 1.758 10 0 ADAERN Cc1ccncc1[C@H]1C[C@@H]1CO 135570085 343965528 /nfs/dbraw/zinc/96/55/28/343965528.db2.gz JXTYWYAUYCDUBI-BDAKNGLRSA-N 0 0 163.220 1.486 10 0 ADAERN Cc1ccncc1[C@H]1C[C@H]1CO 135570119 343965562 /nfs/dbraw/zinc/96/55/62/343965562.db2.gz JXTYWYAUYCDUBI-IUCAKERBSA-N 0 0 163.220 1.486 10 0 ADAERN Cc1ccncc1[C@H]1CC(=O)N[C@H]1C 135557726 343965572 /nfs/dbraw/zinc/96/55/72/343965572.db2.gz JMSSPFMGLWCPON-IUCAKERBSA-N 0 0 190.246 1.382 10 0 ADAERN CC(C)Nc1cnccc1C(N)=S 135629442 343965884 /nfs/dbraw/zinc/96/58/84/343965884.db2.gz SQZHHZKWUFJHKC-UHFFFAOYSA-N 0 0 195.291 1.536 10 0 ADAERN NC(=S)c1ccncc1NC1CC1 135629654 343965935 /nfs/dbraw/zinc/96/59/35/343965935.db2.gz GOZPHXGPBMVWQX-UHFFFAOYSA-N 0 0 193.275 1.290 10 0 ADAERN CCCNc1cnccc1C(N)=S 135629184 343966029 /nfs/dbraw/zinc/96/60/29/343966029.db2.gz HYPMYGWDVIUYID-UHFFFAOYSA-N 0 0 195.291 1.538 10 0 ADAERN O=C1C[C@H]2C[C@@H](C1)CC1(C2)OCCO1 135717729 343966529 /nfs/dbraw/zinc/96/65/29/343966529.db2.gz LNBKOECPIAUOMQ-DTORHVGOSA-N 0 0 196.246 1.509 10 0 ADAERN CCN(C)c1cnccc1C(N)=S 135639881 343966559 /nfs/dbraw/zinc/96/65/59/343966559.db2.gz ANWIVANKTFEYAE-UHFFFAOYSA-N 0 0 195.291 1.172 10 0 ADAERN CC(C)Oc1cnccc1C(N)=S 135688569 343966661 /nfs/dbraw/zinc/96/66/61/343966661.db2.gz LTAXVMNTTVGEOF-UHFFFAOYSA-N 0 0 196.275 1.503 10 0 ADAERN C[NH+](C)[C@@H]1CCCC[C@@]1(C)C(=O)[O-] 135661646 343966679 /nfs/dbraw/zinc/96/66/79/343966679.db2.gz AWHLJNNZUPBEHO-PSASIEDQSA-N 0 0 185.267 1.582 10 0 ADAERN CCOc1cnccc1C(N)=S 135687679 343966681 /nfs/dbraw/zinc/96/66/81/343966681.db2.gz RPJLMZDNJMUYJM-UHFFFAOYSA-N 0 0 182.248 1.115 10 0 ADAERN CCNC(=O)N[C@H](C)c1ccccn1 135730856 343966860 /nfs/dbraw/zinc/96/68/60/343966860.db2.gz DKVATRMURBZIGV-MRVPVSSYSA-N 0 0 193.250 1.462 10 0 ADAERN CC[C@H](CO)[C@H]1CCOC1 142879107 344015935 /nfs/dbraw/zinc/01/59/35/344015935.db2.gz CVQPGVIPNLQWDF-SFYZADRCSA-N 0 0 144.214 1.041 10 0 ADAERN CC[C@@H]1CCOC(=O)CC1 135744269 343966873 /nfs/dbraw/zinc/96/68/73/343966873.db2.gz NXXGFOJIOQXPDY-ZETCQYMHSA-N 0 0 142.198 1.740 10 0 ADAERN CCn1cc(N)c(-c2ccccn2)n1 135742983 343966886 /nfs/dbraw/zinc/96/68/86/343966886.db2.gz HSGPYSZYIAHCLX-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Cn1cc(N)c(-c2nccs2)n1 135735745 343966888 /nfs/dbraw/zinc/96/68/88/343966888.db2.gz KQCXBVQFLAZBIY-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN CCNC(=O)N[C@H](C)C(C)C 135722956 343966890 /nfs/dbraw/zinc/96/68/90/343966890.db2.gz TUSVIZNAFRIHBH-SSDOTTSWSA-N 0 0 158.245 1.350 10 0 ADAERN CCNC(=O)N(C)Cc1ccc(C)o1 135725239 343966894 /nfs/dbraw/zinc/96/68/94/343966894.db2.gz IINVPPLEFPTBRO-UHFFFAOYSA-N 0 0 196.250 1.749 10 0 ADAERN CCn1cc(N)c(C(C)(C)C)n1 135743078 343966909 /nfs/dbraw/zinc/96/69/09/343966909.db2.gz GDCWUZAEDFHDQH-UHFFFAOYSA-N 0 0 167.256 1.783 10 0 ADAERN CCNC(=O)Nc1ncc(C)s1 135722533 343966911 /nfs/dbraw/zinc/96/69/11/343966911.db2.gz HECCMOGJLFDURL-UHFFFAOYSA-N 0 0 185.252 1.593 10 0 ADAERN Cn1cc(N)c(-c2ccoc2)n1 135734433 343966963 /nfs/dbraw/zinc/96/69/63/343966963.db2.gz FCCAKPCPNPMIOT-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN C[C@]12C=CC[C@H]1CC(=O)O2 135751656 343966970 /nfs/dbraw/zinc/96/69/70/343966970.db2.gz COIZCDLRIGYMCZ-XPUUQOCRSA-N 0 0 138.166 1.268 10 0 ADAERN CCn1cc(N)c(-c2ccoc2)n1 135742510 343967003 /nfs/dbraw/zinc/96/70/03/343967003.db2.gz XHFAPOPSSRFBIS-UHFFFAOYSA-N 0 0 177.207 1.745 10 0 ADAERN CCn1cc(N)c(-c2ccncc2)n1 135744206 343967023 /nfs/dbraw/zinc/96/70/23/343967023.db2.gz XIAQIPANHMIREL-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCn1cc(N)c(-c2cccnc2)n1 135743748 343967042 /nfs/dbraw/zinc/96/70/42/343967042.db2.gz JQIPXNAARZKAIQ-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCNC(=O)NC1CCC(C)CC1 135723276 343967046 /nfs/dbraw/zinc/96/70/46/343967046.db2.gz GMCUFZBBZRZOCH-UHFFFAOYSA-N 0 0 184.283 1.884 10 0 ADAERN Cn1cc(N)c(-c2ccsc2)n1 135735156 343967054 /nfs/dbraw/zinc/96/70/54/343967054.db2.gz KTYNEQMRNQOKGR-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN CCn1cc(N)c(-c2nccs2)n1 135744474 343967062 /nfs/dbraw/zinc/96/70/62/343967062.db2.gz ICGGMXYOSFBUEM-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN CCn1cc(N)c(-c2ccco2)n1 135745114 343967115 /nfs/dbraw/zinc/96/71/15/343967115.db2.gz RMXDHCLLXBFVQF-UHFFFAOYSA-N 0 0 177.207 1.745 10 0 ADAERN Cc1cc(-c2nn(C)cc2N)c(C)o1 135734808 343967135 /nfs/dbraw/zinc/96/71/35/343967135.db2.gz UHHUEPMAMPHJNW-UHFFFAOYSA-N 0 0 191.234 1.879 10 0 ADAERN CCNC(=O)N[C@@H](C)C(C)C 135722917 343967204 /nfs/dbraw/zinc/96/72/04/343967204.db2.gz TUSVIZNAFRIHBH-ZETCQYMHSA-N 0 0 158.245 1.350 10 0 ADAERN CC/C=C\COC(=O)OC 135744771 343967215 /nfs/dbraw/zinc/96/72/15/343967215.db2.gz RYVDMGWZDPIJCZ-PLNGDYQASA-N 0 0 144.170 1.736 10 0 ADAERN CCC(=O)C1(OC)CCCC1 135748843 343967221 /nfs/dbraw/zinc/96/72/21/343967221.db2.gz SAOLYOAJNISAEE-UHFFFAOYSA-N 0 0 156.225 1.925 10 0 ADAERN CC(C)N(C)C(=S)NC1CC1 135765362 343967302 /nfs/dbraw/zinc/96/73/02/343967302.db2.gz AVWAQUKLTWQXBZ-UHFFFAOYSA-N 0 0 172.297 1.364 10 0 ADAERN CCCn1cc(N)c(C(C)C)n1 135777677 343967401 /nfs/dbraw/zinc/96/74/01/343967401.db2.gz IUGXYNIQNPVYDZ-UHFFFAOYSA-N 0 0 167.256 1.999 10 0 ADAERN C=C[C@]([NH3+])(Cc1ccccc1)C(=O)[O-] 135780280 343967461 /nfs/dbraw/zinc/96/74/61/343967461.db2.gz ZQTHWTQTYLPKAQ-NSHDSACASA-N 0 0 191.230 1.197 10 0 ADAERN COc1ccc([N+](=O)[O-])c(C)c1C=O 135783871 343967596 /nfs/dbraw/zinc/96/75/96/343967596.db2.gz IWTQOOCVYLLEMF-UHFFFAOYSA-N 0 0 195.174 1.724 10 0 ADAERN CC(=O)C[C@@H](O)C1CCCCC1 135765265 343967638 /nfs/dbraw/zinc/96/76/38/343967638.db2.gz QXNRSBTYHRKYBD-SNVBAGLBSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@]1(CO)CCc2ccccc2C1=O 135760678 343967658 /nfs/dbraw/zinc/96/76/58/343967658.db2.gz XHJZVAQJEYCYAV-GFCCVEGCSA-N 0 0 190.242 1.814 10 0 ADAERN CCNC(=S)N(C)C(C)C 135765019 343967667 /nfs/dbraw/zinc/96/76/67/343967667.db2.gz AAUQFGPPLUXRDR-UHFFFAOYSA-N 0 0 160.286 1.221 10 0 ADAERN CN(C)NCc1ccc(Cl)cc1 135757359 343967679 /nfs/dbraw/zinc/96/76/79/343967679.db2.gz JOTMMICAJXNYTJ-UHFFFAOYSA-N 0 0 184.670 1.906 10 0 ADAERN CO[C@H]1CCCC[C@@]12COC(=O)N2 135757540 343967699 /nfs/dbraw/zinc/96/76/99/343967699.db2.gz MYKZHPCCOPONTM-IONNQARKSA-N 0 0 185.223 1.054 10 0 ADAERN CCNC(=O)N[C@H](C)c1ccc(C)o1 135795936 343968016 /nfs/dbraw/zinc/96/80/16/343968016.db2.gz WMYOJSSYEWGORN-MRVPVSSYSA-N 0 0 196.250 1.968 10 0 ADAERN Cc1nn(-c2cccc(F)c2)cc1N 135811398 343967826 /nfs/dbraw/zinc/96/78/26/343967826.db2.gz WQFSESYPSVOFQA-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN CNC(=S)N[C@H](C)c1ccc(C)o1 135793202 343967829 /nfs/dbraw/zinc/96/78/29/343967829.db2.gz VIIJACYGNKCFJA-SSDOTTSWSA-N 0 0 198.291 1.743 10 0 ADAERN CNC(=S)N[C@H](C)c1ccco1 135815580 343967852 /nfs/dbraw/zinc/96/78/52/343967852.db2.gz ASGQMBDNEOEQLA-ZCFIWIBFSA-N 0 0 184.264 1.435 10 0 ADAERN CCNC(=O)N[C@@H](C)c1ccc(C)o1 135795901 343967858 /nfs/dbraw/zinc/96/78/58/343967858.db2.gz WMYOJSSYEWGORN-QMMMGPOBSA-N 0 0 196.250 1.968 10 0 ADAERN CNC(=S)N[C@@H](C)c1ccc(C)o1 135793241 343967878 /nfs/dbraw/zinc/96/78/78/343967878.db2.gz VIIJACYGNKCFJA-ZETCQYMHSA-N 0 0 198.291 1.743 10 0 ADAERN CNC(=S)N[C@@H](C)c1ccco1 135815538 343968086 /nfs/dbraw/zinc/96/80/86/343968086.db2.gz ASGQMBDNEOEQLA-LURJTMIESA-N 0 0 184.264 1.435 10 0 ADAERN CNC(=O)N1CCC[C@H]2CCCC[C@@H]21 135839294 343968424 /nfs/dbraw/zinc/96/84/24/343968424.db2.gz IDRVCOCFHPJDMX-ZJUUUORDSA-N 0 0 196.294 1.980 10 0 ADAERN CNC(=O)N[C@@H](C)c1ccncc1 135840073 343968366 /nfs/dbraw/zinc/96/83/66/343968366.db2.gz LZMSFEPYXJFWAE-ZETCQYMHSA-N 0 0 179.223 1.072 10 0 ADAERN CNC(=O)N[C@H](C)c1ccco1 135839170 343968383 /nfs/dbraw/zinc/96/83/83/343968383.db2.gz QSLOYLBYVXPFBK-ZCFIWIBFSA-N 0 0 168.196 1.270 10 0 ADAERN Cc1nn([C@H](C)C2CC2)cc1N 135837823 343968393 /nfs/dbraw/zinc/96/83/93/343968393.db2.gz AMYSFFHQGLPOIU-SSDOTTSWSA-N 0 0 165.240 1.745 10 0 ADAERN CNC(=O)N1CCC[C@@H]2CCCC[C@@H]21 135839330 343968429 /nfs/dbraw/zinc/96/84/29/343968429.db2.gz IDRVCOCFHPJDMX-UWVGGRQHSA-N 0 0 196.294 1.980 10 0 ADAERN CCOC(=O)[C@H]1O[C@H]2C=C[C@@H]1CC2 135827184 343968469 /nfs/dbraw/zinc/96/84/69/343968469.db2.gz ZTDMRFGBGCCHCT-VGMNWLOBSA-N 0 0 182.219 1.283 10 0 ADAERN C[C@@H](NC(=O)NC1CC1)c1ccco1 135839249 343968476 /nfs/dbraw/zinc/96/84/76/343968476.db2.gz GSHIGRVRUJMDFJ-SSDOTTSWSA-N 0 0 194.234 1.802 10 0 ADAERN CNC(=O)N(C)Cc1ccccc1F 135840812 343968482 /nfs/dbraw/zinc/96/84/82/343968482.db2.gz GGRGYBKQGGKHLQ-UHFFFAOYSA-N 0 0 196.225 1.597 10 0 ADAERN C[C@H](NC(=O)NC1CC1)c1ccco1 135839216 343968494 /nfs/dbraw/zinc/96/84/94/343968494.db2.gz GSHIGRVRUJMDFJ-ZETCQYMHSA-N 0 0 194.234 1.802 10 0 ADAERN CNC(=O)N[C@H](C)c1ccncc1 135840106 343968545 /nfs/dbraw/zinc/96/85/45/343968545.db2.gz LZMSFEPYXJFWAE-SSDOTTSWSA-N 0 0 179.223 1.072 10 0 ADAERN CNC(=O)N1CCC[C@H]2CCCC[C@H]21 135839358 343968551 /nfs/dbraw/zinc/96/85/51/343968551.db2.gz IDRVCOCFHPJDMX-NXEZZACHSA-N 0 0 196.294 1.980 10 0 ADAERN CNC(=O)N[C@@H](C)c1ccco1 135839134 343968597 /nfs/dbraw/zinc/96/85/97/343968597.db2.gz QSLOYLBYVXPFBK-LURJTMIESA-N 0 0 168.196 1.270 10 0 ADAERN Cc1nn([C@@H](C)C2CC2)cc1N 135837786 343968612 /nfs/dbraw/zinc/96/86/12/343968612.db2.gz AMYSFFHQGLPOIU-ZETCQYMHSA-N 0 0 165.240 1.745 10 0 ADAERN CNC(=O)N1CCC[C@@H]2CCCC[C@H]21 135839392 343968623 /nfs/dbraw/zinc/96/86/23/343968623.db2.gz IDRVCOCFHPJDMX-VHSXEESVSA-N 0 0 196.294 1.980 10 0 ADAERN CCOc1ccccc1NC(=O)NC 135847827 343968762 /nfs/dbraw/zinc/96/87/62/343968762.db2.gz DTSXWLCVOWDSAW-UHFFFAOYSA-N 0 0 194.234 1.837 10 0 ADAERN CNC(=O)N[C@@H](C)c1ccc(C)o1 135850168 343968818 /nfs/dbraw/zinc/96/88/18/343968818.db2.gz YIIZVCHHRFTVLX-ZETCQYMHSA-N 0 0 182.223 1.578 10 0 ADAERN CNC(=O)Nc1ccc(C)c(F)c1 135848121 343968941 /nfs/dbraw/zinc/96/89/41/343968941.db2.gz CMNUBFOEESAGQU-UHFFFAOYSA-N 0 0 182.198 1.885 10 0 ADAERN CNC(=O)N(C)Cc1ccc(C)o1 135841131 343968945 /nfs/dbraw/zinc/96/89/45/343968945.db2.gz XCYJXNINOWSCON-UHFFFAOYSA-N 0 0 182.223 1.359 10 0 ADAERN CC(C)[C@@H](C)NC(=O)NC1CC1 135845768 343968947 /nfs/dbraw/zinc/96/89/47/343968947.db2.gz STWQHDLNTNERAR-SSDOTTSWSA-N 0 0 170.256 1.493 10 0 ADAERN CNC(=O)N[C@H](C)c1ccc(F)cc1 135840893 343968961 /nfs/dbraw/zinc/96/89/61/343968961.db2.gz XUQAOADJQJTQSA-SSDOTTSWSA-N 0 0 196.225 1.816 10 0 ADAERN CNC(=O)N[C@@H](C)c1cccs1 135845575 343968970 /nfs/dbraw/zinc/96/89/70/343968970.db2.gz OJFJZQUXABZQQK-LURJTMIESA-N 0 0 184.264 1.738 10 0 ADAERN CCCCNC(C)=CC(=O)OCC 135841063 343968972 /nfs/dbraw/zinc/96/89/72/343968972.db2.gz IFKSUXQHAOSFCH-CMDGGOBGSA-N 0 0 185.267 1.843 10 0 ADAERN CNC(=O)N[C@H](C)c1ccc(C)o1 135850141 343968981 /nfs/dbraw/zinc/96/89/81/343968981.db2.gz YIIZVCHHRFTVLX-SSDOTTSWSA-N 0 0 182.223 1.578 10 0 ADAERN CNC(=O)N(C)Cc1ccc(F)cc1 135842248 343968988 /nfs/dbraw/zinc/96/89/88/343968988.db2.gz PGMYSUJAKGGAON-UHFFFAOYSA-N 0 0 196.225 1.597 10 0 ADAERN CNC(=O)N[C@H](C)c1cccs1 135845611 343969055 /nfs/dbraw/zinc/96/90/55/343969055.db2.gz OJFJZQUXABZQQK-ZCFIWIBFSA-N 0 0 184.264 1.738 10 0 ADAERN CNC(=O)N[C@@H](C)c1ccc(F)cc1 135840869 343969057 /nfs/dbraw/zinc/96/90/57/343969057.db2.gz XUQAOADJQJTQSA-ZETCQYMHSA-N 0 0 196.225 1.816 10 0 ADAERN CC(C)[C@H](C)NC(=O)N(C)C 135868990 343969246 /nfs/dbraw/zinc/96/92/46/343969246.db2.gz AZRRFVHLVDDPLR-ZETCQYMHSA-N 0 0 158.245 1.302 10 0 ADAERN CCCCNc1nnc(C)o1 135864997 343969355 /nfs/dbraw/zinc/96/93/55/343969355.db2.gz DIULUUIGGUTKLK-UHFFFAOYSA-N 0 0 155.201 1.590 10 0 ADAERN Cc1ccnc(-n2cc(N)c(C)n2)c1 135867381 343969425 /nfs/dbraw/zinc/96/94/25/343969425.db2.gz ZHNBMMMCBHRJLZ-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CCCCC[C@H](O)C/C=C\CO 135873069 343969436 /nfs/dbraw/zinc/96/94/36/343969436.db2.gz FZDQSDNIGCPMST-OMMCCPJFSA-N 0 0 172.268 1.866 10 0 ADAERN C[C@H](NC(=O)N(C)C)C1CC1 135873543 343969495 /nfs/dbraw/zinc/96/94/95/343969495.db2.gz DYVBSEUHSRKORD-LURJTMIESA-N 0 0 156.229 1.056 10 0 ADAERN Cc1ccc(F)c2c1NCCNC2=O 135870343 343969576 /nfs/dbraw/zinc/96/95/76/343969576.db2.gz QNVUIODGMAKUIN-UHFFFAOYSA-N 0 0 194.209 1.289 10 0 ADAERN COC(=O)NC1CCC(C)CC1 135859118 343969613 /nfs/dbraw/zinc/96/96/13/343969613.db2.gz XHZOQSAVKNYHDA-UHFFFAOYSA-N 0 0 171.240 1.921 10 0 ADAERN O=C1NCCNc2cc(F)c(F)cc21 135870389 343969615 /nfs/dbraw/zinc/96/96/15/343969615.db2.gz GFQNHJSMDUIUGC-UHFFFAOYSA-N 0 0 198.172 1.120 10 0 ADAERN CC(C)[C@@H](C)NC(=O)N(C)C 135868955 343969645 /nfs/dbraw/zinc/96/96/45/343969645.db2.gz AZRRFVHLVDDPLR-SSDOTTSWSA-N 0 0 158.245 1.302 10 0 ADAERN CCCCC[C@@H](O)C/C=C\CO 135873106 343969647 /nfs/dbraw/zinc/96/96/47/343969647.db2.gz FZDQSDNIGCPMST-WWQCOOJYSA-N 0 0 172.268 1.866 10 0 ADAERN CCOC(=O)[C@H]1CC(C)=C(C)CO1 135879676 343969815 /nfs/dbraw/zinc/96/98/15/343969815.db2.gz AIODUTCADHYBDL-SECBINFHSA-N 0 0 184.235 1.675 10 0 ADAERN COC(=O)C[C@@H](O)C1CCCCC1 135881314 343969824 /nfs/dbraw/zinc/96/98/24/343969824.db2.gz PAKFURKPPSCHAX-SECBINFHSA-N 0 0 186.251 1.491 10 0 ADAERN COC(=O)C[C@H](O)C1CCCCC1 135881288 343969855 /nfs/dbraw/zinc/96/98/55/343969855.db2.gz PAKFURKPPSCHAX-VIFPVBQESA-N 0 0 186.251 1.491 10 0 ADAERN CCOC(=O)C[C@@H]1CCC[C@H](C)O1 135881233 343970073 /nfs/dbraw/zinc/97/00/73/343970073.db2.gz QLTNWIGJPPLTDQ-IUCAKERBSA-N 0 0 186.251 1.897 10 0 ADAERN C[C@H]1CCn2c(nc3c2CCC3)C1 135888780 343970158 /nfs/dbraw/zinc/97/01/58/343970158.db2.gz RUXKSJWTXKADLA-QMMMGPOBSA-N 0 0 176.263 1.954 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1NC(=O)N(C)C 135887015 343970162 /nfs/dbraw/zinc/97/01/62/343970162.db2.gz WMKHCWKZTOUDKH-RKDXNWHRSA-N 0 0 199.298 1.436 10 0 ADAERN C1CCn2c(nc3c2CCC3)C1 135886220 343970236 /nfs/dbraw/zinc/97/02/36/343970236.db2.gz KHAKICKCSUZSGY-UHFFFAOYSA-N 0 0 162.236 1.708 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1NC(=O)N(C)C 135886933 343970241 /nfs/dbraw/zinc/97/02/41/343970241.db2.gz WMKHCWKZTOUDKH-DTORHVGOSA-N 0 0 199.298 1.436 10 0 ADAERN CCc1cn2c(n1)CCCC2 135886676 343970274 /nfs/dbraw/zinc/97/02/74/343970274.db2.gz HFOLNMWYZTZKCD-UHFFFAOYSA-N 0 0 150.225 1.782 10 0 ADAERN CNC(=O)NN1[C@@H](C)CCC[C@H]1C 135886773 343970304 /nfs/dbraw/zinc/97/03/04/343970304.db2.gz DHGOLEVQQDGWOM-OCAPTIKFSA-N 0 0 185.271 1.093 10 0 ADAERN CNC(=O)NN1[C@H](C)CCC[C@H]1C 135886844 343970421 /nfs/dbraw/zinc/97/04/21/343970421.db2.gz DHGOLEVQQDGWOM-HTQZYQBOSA-N 0 0 185.271 1.093 10 0 ADAERN CNC(=O)NN1[C@@H](C)CCC[C@@H]1C 135886805 343970485 /nfs/dbraw/zinc/97/04/85/343970485.db2.gz DHGOLEVQQDGWOM-YUMQZZPRSA-N 0 0 185.271 1.093 10 0 ADAERN C[C@H]1CCC[C@H](C)N1NC(=O)N(C)C 135886981 343970537 /nfs/dbraw/zinc/97/05/37/343970537.db2.gz WMKHCWKZTOUDKH-IUCAKERBSA-N 0 0 199.298 1.436 10 0 ADAERN C[C@@H]1CCn2c(nc3c2CCC3)C1 135888731 343970592 /nfs/dbraw/zinc/97/05/92/343970592.db2.gz RUXKSJWTXKADLA-MRVPVSSYSA-N 0 0 176.263 1.954 10 0 ADAERN COCc1c(C)nc2n1CCCN2 135884784 343970615 /nfs/dbraw/zinc/97/06/15/343970615.db2.gz VEQQXHYSARNCHW-UHFFFAOYSA-N 0 0 181.239 1.154 10 0 ADAERN CC(C)CNC(=S)N1CCC1 135889381 343970626 /nfs/dbraw/zinc/97/06/26/343970626.db2.gz BLXHIJAYDJLGRZ-UHFFFAOYSA-N 0 0 172.297 1.223 10 0 ADAERN CNC(=S)N[C@H](C)C(C)C 135889771 343970880 /nfs/dbraw/zinc/97/08/80/343970880.db2.gz DBPXCEBPPXXKNW-ZCFIWIBFSA-N 0 0 160.286 1.125 10 0 ADAERN CCNC(=S)N[C@H](C)C(C)C 135889953 343970963 /nfs/dbraw/zinc/97/09/63/343970963.db2.gz KZRSELRGJNIVGJ-SSDOTTSWSA-N 0 0 174.313 1.515 10 0 ADAERN CCNC(=S)N[C@@H](C)C(C)C 135889928 343971119 /nfs/dbraw/zinc/97/11/19/343971119.db2.gz KZRSELRGJNIVGJ-ZETCQYMHSA-N 0 0 174.313 1.515 10 0 ADAERN CC(C)NC(=O)N[C@@H](C)C(C)C 135891773 343971011 /nfs/dbraw/zinc/97/10/11/343971011.db2.gz ZQQCGRKOWQXXIP-QMMMGPOBSA-N 0 0 172.272 1.739 10 0 ADAERN COCc1c(C)nc2n1CC[C@@H](C)C2 135890448 343971134 /nfs/dbraw/zinc/97/11/34/343971134.db2.gz MNEWOSCEUUPEPI-MRVPVSSYSA-N 0 0 194.278 1.920 10 0 ADAERN CNC(=S)N[C@@H](C)C(C)C 135889805 343971159 /nfs/dbraw/zinc/97/11/59/343971159.db2.gz DBPXCEBPPXXKNW-LURJTMIESA-N 0 0 160.286 1.125 10 0 ADAERN CC(C)NC(=O)N[C@H](C)C(C)C 135891738 343971173 /nfs/dbraw/zinc/97/11/73/343971173.db2.gz ZQQCGRKOWQXXIP-MRVPVSSYSA-N 0 0 172.272 1.739 10 0 ADAERN COCc1c(C)nc2n1CC[C@H](C)C2 135890477 343971277 /nfs/dbraw/zinc/97/12/77/343971277.db2.gz MNEWOSCEUUPEPI-QMMMGPOBSA-N 0 0 194.278 1.920 10 0 ADAERN COCc1c(C)nc2n1C[C@H](C)CC2 135906980 343971518 /nfs/dbraw/zinc/97/15/18/343971518.db2.gz QDZPYRVJYAZJNQ-MRVPVSSYSA-N 0 0 194.278 1.920 10 0 ADAERN COCc1c(C)nc2n1C[C@@H](C)CC2 135906946 343971581 /nfs/dbraw/zinc/97/15/81/343971581.db2.gz QDZPYRVJYAZJNQ-QMMMGPOBSA-N 0 0 194.278 1.920 10 0 ADAERN CNC(=O)NCCc1ccsc1 135947025 343972001 /nfs/dbraw/zinc/97/20/01/343972001.db2.gz IRQASHIJJYFXPJ-UHFFFAOYSA-N 0 0 184.264 1.220 10 0 ADAERN CNC(=O)Nc1cccc(COC)c1 135931325 343972049 /nfs/dbraw/zinc/97/20/49/343972049.db2.gz HIHZLMQMHVPFFM-UHFFFAOYSA-N 0 0 194.234 1.584 10 0 ADAERN CC(C)[C@H](C)NC(=O)N1CCCC1 135921089 343972141 /nfs/dbraw/zinc/97/21/41/343972141.db2.gz JGLVNYPRROGPEM-VIFPVBQESA-N 0 0 184.283 1.836 10 0 ADAERN CNC(=O)NCCC1CCCC1 135926641 343972364 /nfs/dbraw/zinc/97/23/64/343972364.db2.gz GCIVUSZZXPKODH-UHFFFAOYSA-N 0 0 170.256 1.496 10 0 ADAERN COC(=O)C1=CCC=C1 135969985 343972669 /nfs/dbraw/zinc/97/26/69/343972669.db2.gz LUTWBXJFQVGUMU-UHFFFAOYSA-N 0 0 123.131 1.192 10 0 ADAERN CNC(=O)Nc1nc2c(s1)CCC2 135970426 343972714 /nfs/dbraw/zinc/97/27/14/343972714.db2.gz DPARUERTIZKOBN-UHFFFAOYSA-N 0 0 197.263 1.383 10 0 ADAERN CC1=C(N)[C@@H](c2ccccc2)OC1=O 135999768 343972797 /nfs/dbraw/zinc/97/27/97/343972797.db2.gz UUAFBNAFOHHSAI-SNVBAGLBSA-N 0 0 189.214 1.517 10 0 ADAERN S=C1N=NC(Cc2cccnc2)N1 135999760 343972832 /nfs/dbraw/zinc/97/28/32/343972832.db2.gz USXFGUCWSVWIJR-UHFFFAOYSA-N 0 0 192.247 1.079 10 0 ADAERN CC[C@H](O)C[C@H](O)c1ccccc1 136002834 343972927 /nfs/dbraw/zinc/97/29/27/343972927.db2.gz BOIHAPODUXHNBA-QWRGUYRKSA-N 0 0 180.247 1.881 10 0 ADAERN Cc1nc(CCc2cccnc2)n[nH]1 135996666 343972966 /nfs/dbraw/zinc/97/29/66/343972966.db2.gz BFVMPFDREPWEGG-UHFFFAOYSA-N 0 0 188.234 1.293 10 0 ADAERN Nc1nnc(Cc2cccnc2)s1 135994939 343973055 /nfs/dbraw/zinc/97/30/55/343973055.db2.gz VFTOZNABPAVLHN-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN Cc1nnc(Cc2cccnc2)[nH]1 135996822 343973059 /nfs/dbraw/zinc/97/30/59/343973059.db2.gz MTUSWGHPSIJOID-UHFFFAOYSA-N 0 0 174.207 1.099 10 0 ADAERN CNC(=O)Nc1nc(C)c(C)s1 135997590 343973148 /nfs/dbraw/zinc/97/31/48/343973148.db2.gz AQZDCYVVZIZFIH-UHFFFAOYSA-N 0 0 185.252 1.511 10 0 ADAERN CCc1nnc(Cc2cccnc2)[nH]1 135996990 343973162 /nfs/dbraw/zinc/97/31/62/343973162.db2.gz SITQAACLFGYOKX-UHFFFAOYSA-N 0 0 188.234 1.353 10 0 ADAERN C[C@@H]1C[C@@]1(O)CCc1ccncc1 136043485 343973347 /nfs/dbraw/zinc/97/33/47/343973347.db2.gz MHRYTQDBSWKBGM-KOLCDFICSA-N 0 0 177.247 1.785 10 0 ADAERN CC[C@H](O)C[C@@H](O)c1ccccc1 136002901 343973181 /nfs/dbraw/zinc/97/31/81/343973181.db2.gz BOIHAPODUXHNBA-WDEREUQCSA-N 0 0 180.247 1.881 10 0 ADAERN CC[C@H]1C[C@]1(O)Cc1cccnc1 136043736 343973289 /nfs/dbraw/zinc/97/32/89/343973289.db2.gz BVRWOVOYZCGKRR-WDEREUQCSA-N 0 0 177.247 1.785 10 0 ADAERN 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164.204 1.802 10 0 ADAERN Cc1nc([C@@H](C)O)c(C)o1 137098005 343983862 /nfs/dbraw/zinc/98/38/62/343983862.db2.gz SBNXKDRCIUBQCT-SCSAIBSYSA-N 0 0 141.170 1.345 10 0 ADAERN NCC(F)(F)c1ccsc1 137044523 343983863 /nfs/dbraw/zinc/98/38/63/343983863.db2.gz NZWCDHVSPAKVFF-UHFFFAOYSA-N 0 0 163.192 1.799 10 0 ADAERN C[C@@H]1CCC[C@H](CCO)O1 137224206 343984119 /nfs/dbraw/zinc/98/41/19/343984119.db2.gz ZMOZONOJLNYKRJ-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN CNc1nc(C(=O)OC)c(C)s1 137189096 343984144 /nfs/dbraw/zinc/98/41/44/343984144.db2.gz NYLXSEPWOOXYMK-UHFFFAOYSA-N 0 0 186.236 1.280 10 0 ADAERN FC1=CC=CC1 137246894 343984193 /nfs/dbraw/zinc/98/41/93/343984193.db2.gz BKCDSYUMWOBEJI-UHFFFAOYSA-N 0 0 84.093 1.800 10 0 ADAERN OCC(/C=C/c1ccccc1)CO 137219108 343984197 /nfs/dbraw/zinc/98/41/97/343984197.db2.gz HEXIMFXUNDCQOU-VOTSOKGWSA-N 0 0 178.231 1.301 10 0 ADAERN O[C@@H]1CC[C@@H]2CC=C[C@H]12 137262928 343984201 /nfs/dbraw/zinc/98/42/01/343984201.db2.gz LPILXVRHOMAVFE-BIIVOSGPSA-N 0 0 124.183 1.333 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CIYVOTNRCBOYBC-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN CC(C)(C)c1nc(N)nc(=S)[nH]1 137327147 343984512 /nfs/dbraw/zinc/98/45/12/343984512.db2.gz WNROZGHZJMGZLM-UHFFFAOYSA-N 0 0 184.268 1.040 10 0 ADAERN CCSCc1cnn(C)c1 137290947 343984550 /nfs/dbraw/zinc/98/45/50/343984550.db2.gz JEFILFLWWKLBNN-UHFFFAOYSA-N 0 0 156.254 1.673 10 0 ADAERN CC[C@H](C)c1nc(N)nc(=S)[nH]1 137326953 343984589 /nfs/dbraw/zinc/98/45/89/343984589.db2.gz NGTVXIHKZSVOSR-BYPYZUCNSA-N 0 0 184.268 1.256 10 0 ADAERN CC[C@@H](C)c1nc(N)nc(=S)[nH]1 137326898 343984673 /nfs/dbraw/zinc/98/46/73/343984673.db2.gz NGTVXIHKZSVOSR-SCSAIBSYSA-N 0 0 184.268 1.256 10 0 ADAERN CCC[C@H](C)c1nc(N)nc(=S)[nH]1 137327907 343984676 /nfs/dbraw/zinc/98/46/76/343984676.db2.gz UBDJUVQDLSRNPR-YFKPBYRVSA-N 0 0 198.295 1.646 10 0 ADAERN COc1cc2c(cn1)CCCC2=O 137297616 343984684 /nfs/dbraw/zinc/98/46/84/343984684.db2.gz GQECGCNZFNGPNO-UHFFFAOYSA-N 0 0 177.203 1.609 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(N)nc(Cl)n1 137355162 343984818 /nfs/dbraw/zinc/98/48/18/343984818.db2.gz YORHSXFBUKSKMH-IMJSIDKUSA-N 0 0 184.630 1.231 10 0 ADAERN C=Cc1ccccc1OS(C)(=O)=O 137387163 343984821 /nfs/dbraw/zinc/98/48/21/343984821.db2.gz VFQQXMOTBRWXIT-UHFFFAOYSA-N 0 0 198.243 1.668 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(N)nc(Cl)n1 137355228 343984863 /nfs/dbraw/zinc/98/48/63/343984863.db2.gz YORHSXFBUKSKMH-QWWZWVQMSA-N 0 0 184.630 1.231 10 0 ADAERN C[C@H](c1nc(N)nc(=S)[nH]1)C1CC1 137345954 343984872 /nfs/dbraw/zinc/98/48/72/343984872.db2.gz UYPQNPXILZCLRT-BYPYZUCNSA-N 0 0 196.279 1.256 10 0 ADAERN CCC(C)(C)c1nc(N)nc(=S)[nH]1 137340207 343984881 /nfs/dbraw/zinc/98/48/81/343984881.db2.gz JYIZECRDYZRQBC-UHFFFAOYSA-N 0 0 198.295 1.430 10 0 ADAERN CC(=O)OC[C@@](C)(O)c1ccccc1 137357253 343984886 /nfs/dbraw/zinc/98/48/86/343984886.db2.gz AMBHVYDQRHIUSS-LLVKDONJSA-N 0 0 194.230 1.457 10 0 ADAERN C[C@H](c1nc(N)nc(Cl)n1)C1CC1 137375351 343984898 /nfs/dbraw/zinc/98/48/98/343984898.db2.gz QOTKILDLYGHVKT-BYPYZUCNSA-N 0 0 198.657 1.621 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(N)nc(Cl)n1 137355085 343984902 /nfs/dbraw/zinc/98/49/02/343984902.db2.gz YORHSXFBUKSKMH-DMTCNVIQSA-N 0 0 184.630 1.231 10 0 ADAERN CC(C)[C@@H](C)c1nc(N)nc(=S)[nH]1 137343690 343984904 /nfs/dbraw/zinc/98/49/04/343984904.db2.gz AXZNUDQJNIBXOL-RXMQYKEDSA-N 0 0 198.295 1.502 10 0 ADAERN CC(=O)OC[C@](C)(O)c1ccccc1 137357190 343984954 /nfs/dbraw/zinc/98/49/54/343984954.db2.gz AMBHVYDQRHIUSS-NSHDSACASA-N 0 0 194.230 1.457 10 0 ADAERN CCC(CC)c1nc(N)nc(=S)[nH]1 137338725 343984957 /nfs/dbraw/zinc/98/49/57/343984957.db2.gz RFVKNTUOSMHTIU-UHFFFAOYSA-N 0 0 198.295 1.646 10 0 ADAERN Nc1nc(-c2ccoc2)nc(=S)[nH]1 137344950 343984971 /nfs/dbraw/zinc/98/49/71/343984971.db2.gz OGUKSWHTIHSQCB-UHFFFAOYSA-N 0 0 194.219 1.003 10 0 ADAERN C[C@@H](c1nc(N)nc(Cl)n1)C1CC1 137375306 343985064 /nfs/dbraw/zinc/98/50/64/343985064.db2.gz QOTKILDLYGHVKT-SCSAIBSYSA-N 0 0 198.657 1.621 10 0 ADAERN C[C@@H](c1nc(N)nc(=S)[nH]1)C1CC1 137345897 343985134 /nfs/dbraw/zinc/98/51/34/343985134.db2.gz UYPQNPXILZCLRT-SCSAIBSYSA-N 0 0 196.279 1.256 10 0 ADAERN C[C@H]1C[C@H]1c1nc(N)nc(Cl)n1 137355302 343985147 /nfs/dbraw/zinc/98/51/47/343985147.db2.gz YORHSXFBUKSKMH-IUYQGCFVSA-N 0 0 184.630 1.231 10 0 ADAERN CC(C)Cc1nc(N)nc(Cl)n1 137348382 343985167 /nfs/dbraw/zinc/98/51/67/343985167.db2.gz ZEFPXTVJJZNEIK-UHFFFAOYSA-N 0 0 186.646 1.306 10 0 ADAERN CC(C)[C@H](C)c1nc(N)nc(=S)[nH]1 137343773 343985207 /nfs/dbraw/zinc/98/52/07/343985207.db2.gz AXZNUDQJNIBXOL-YFKPBYRVSA-N 0 0 198.295 1.502 10 0 ADAERN Cc1cccc2c1OC[C@H](N)C2(F)F 137476021 343985769 /nfs/dbraw/zinc/98/57/69/343985769.db2.gz GEANGTNJWWPNSO-QMMMGPOBSA-N 0 0 199.200 1.807 10 0 ADAERN CC(C)[C@@H]1N=COC1(C)C 137476205 343985780 /nfs/dbraw/zinc/98/57/80/343985780.db2.gz AXUCRURANXZEPH-ZETCQYMHSA-N 0 0 141.214 1.848 10 0 ADAERN CC(C)[C@H]1N=COC1(C)C 137476133 343985801 /nfs/dbraw/zinc/98/58/01/343985801.db2.gz AXUCRURANXZEPH-SSDOTTSWSA-N 0 0 141.214 1.848 10 0 ADAERN Cc1cccc2c1OC[C@@H](N)C2(F)F 137476104 343985969 /nfs/dbraw/zinc/98/59/69/343985969.db2.gz GEANGTNJWWPNSO-MRVPVSSYSA-N 0 0 199.200 1.807 10 0 ADAERN Cc1ccc2c(c1)C(F)(F)[C@H](N)CO2 137475086 343986034 /nfs/dbraw/zinc/98/60/34/343986034.db2.gz UGADBBWNNWVDEI-SECBINFHSA-N 0 0 199.200 1.807 10 0 ADAERN C=C/C=C(\C)CCCO 137463706 343986074 /nfs/dbraw/zinc/98/60/74/343986074.db2.gz RRZVHCFNTKBSPI-VMPITWQZSA-N 0 0 126.199 1.891 10 0 ADAERN Cc1ccc2c(c1)C(F)(F)[C@H](N)CN2 137476905 343986091 /nfs/dbraw/zinc/98/60/91/343986091.db2.gz DLDSMNVAJRZLAZ-SECBINFHSA-N 0 0 198.216 1.840 10 0 ADAERN Cc1ccc2c(c1)C(F)(F)[C@@H](N)CO2 137475163 343986098 /nfs/dbraw/zinc/98/60/98/343986098.db2.gz UGADBBWNNWVDEI-VIFPVBQESA-N 0 0 199.200 1.807 10 0 ADAERN Cc1ccc2c(c1)C(F)(F)[C@@H](N)CN2 137476965 343986112 /nfs/dbraw/zinc/98/61/12/343986112.db2.gz DLDSMNVAJRZLAZ-VIFPVBQESA-N 0 0 198.216 1.840 10 0 ADAERN CC1=C(C)[C@@H](C)C(=O)O1 137581187 343986213 /nfs/dbraw/zinc/98/62/13/343986213.db2.gz QGYSCHICMUUTLS-RXMQYKEDSA-N 0 0 126.155 1.473 10 0 ADAERN CC1=C(C)[C@H](C)C(=O)O1 137581241 343986220 /nfs/dbraw/zinc/98/62/20/343986220.db2.gz QGYSCHICMUUTLS-YFKPBYRVSA-N 0 0 126.155 1.473 10 0 ADAERN Clc1cnoc1 137649460 343986246 /nfs/dbraw/zinc/98/62/46/343986246.db2.gz NCGQHWVXJASNHF-UHFFFAOYSA-N 0 0 103.508 1.328 10 0 ADAERN CC(C)/C=C/C(=O)N1CCOC1=O 137586790 343986328 /nfs/dbraw/zinc/98/63/28/343986328.db2.gz IKGLKKOYDCZMJZ-ONEGZZNKSA-N 0 0 183.207 1.177 10 0 ADAERN OCC[C@@H]1COc2ccccc21 137637024 343986331 /nfs/dbraw/zinc/98/63/31/343986331.db2.gz REEHJKJSXIUBAG-MRVPVSSYSA-N 0 0 164.204 1.545 10 0 ADAERN Cc1cc(OC(N)=O)ccc1N 137563440 343986334 /nfs/dbraw/zinc/98/63/34/343986334.db2.gz VSYDXACHGAWTSC-UHFFFAOYSA-N 0 0 166.180 1.035 10 0 ADAERN OCC[C@H]1COc2ccccc21 137637104 343986337 /nfs/dbraw/zinc/98/63/37/343986337.db2.gz REEHJKJSXIUBAG-QMMMGPOBSA-N 0 0 164.204 1.545 10 0 ADAERN COc1cccc2c1[C@H](O)CC2 137567052 343986354 /nfs/dbraw/zinc/98/63/54/343986354.db2.gz DPLNQOAPJURNNY-MRVPVSSYSA-N 0 0 164.204 1.675 10 0 ADAERN COc1cccc2c1[C@@H](O)CC2 137567135 343986386 /nfs/dbraw/zinc/98/63/86/343986386.db2.gz DPLNQOAPJURNNY-QMMMGPOBSA-N 0 0 164.204 1.675 10 0 ADAERN C=C=C[C@@H](O)C(C)(C)C 137547282 343986393 /nfs/dbraw/zinc/98/63/93/343986393.db2.gz CMJFKDONFUNGSF-SSDOTTSWSA-N 0 0 126.199 1.735 10 0 ADAERN CCOC[C@@]1(O)C=CCCC1 137559330 343986413 /nfs/dbraw/zinc/98/64/13/343986413.db2.gz WIIIQPSKIDWKMR-SECBINFHSA-N 0 0 156.225 1.494 10 0 ADAERN CC/C=C/COC(=O)OC 137552748 343986423 /nfs/dbraw/zinc/98/64/23/343986423.db2.gz RYVDMGWZDPIJCZ-SNAWJCMRSA-N 0 0 144.170 1.736 10 0 ADAERN S1C2C3SC3C3SC3C12 137569762 343986432 /nfs/dbraw/zinc/98/64/32/343986432.db2.gz WUUOPUJYDXDYOV-UHFFFAOYSA-N 0 0 174.315 1.452 10 0 ADAERN CC(C)[C@@H](O)C(=O)c1ccccc1 137612603 343986480 /nfs/dbraw/zinc/98/64/80/343986480.db2.gz SXBWYXYGEHOVPU-SNVBAGLBSA-N 0 0 178.231 1.886 10 0 ADAERN C=C=C[C@H](O)C(C)(C)C 137547361 343986495 /nfs/dbraw/zinc/98/64/95/343986495.db2.gz CMJFKDONFUNGSF-ZETCQYMHSA-N 0 0 126.199 1.735 10 0 ADAERN COC(=O)c1cccn2cc(C)nc12 137827484 343986641 /nfs/dbraw/zinc/98/66/41/343986641.db2.gz WQABLDQIRSQYOK-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN C[C@@H](C1CCC1)N1CCC(=O)CC1=O 137823993 343986743 /nfs/dbraw/zinc/98/67/43/343986743.db2.gz RPFSGZBDEFLUSL-QMMMGPOBSA-N 0 0 195.262 1.367 10 0 ADAERN C/C(=C\c1ccccc1)[C@@H](O)CO 137738812 343986802 /nfs/dbraw/zinc/98/68/02/343986802.db2.gz GYMFMKQIGOYZBR-DJYGCBNOSA-N 0 0 178.231 1.443 10 0 ADAERN C[C@H](C1CCC1)N1CCC(=O)CC1=O 137824085 343986947 /nfs/dbraw/zinc/98/69/47/343986947.db2.gz RPFSGZBDEFLUSL-MRVPVSSYSA-N 0 0 195.262 1.367 10 0 ADAERN Nc1cc2c(cc1F)CCC2 137937753 343987105 /nfs/dbraw/zinc/98/71/05/343987105.db2.gz APJSKWLYGVEZJF-UHFFFAOYSA-N 0 0 151.184 1.897 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)C(C)(C)C 137961484 343987110 /nfs/dbraw/zinc/98/71/10/343987110.db2.gz SSWHPLVIHNGBEY-LURJTMIESA-N 0 0 159.229 1.190 10 0 ADAERN C[C@H](C(=O)[O-])[N@H+](C)C(C)(C)C 137961575 343987126 /nfs/dbraw/zinc/98/71/26/343987126.db2.gz SSWHPLVIHNGBEY-ZCFIWIBFSA-N 0 0 159.229 1.190 10 0 ADAERN CCOC(=O)C=C=CCCC(=O)OC 137912512 343987167 /nfs/dbraw/zinc/98/71/67/343987167.db2.gz KEQQWIZBOHNFLO-UHFFFAOYSA-N 0 0 198.218 1.214 10 0 ADAERN COc1cc(O)c(C(C)=O)cc1F 137913596 343987184 /nfs/dbraw/zinc/98/71/84/343987184.db2.gz WXQCPGSHRIWLLF-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN COC(=O)c1cc2ccccc2n1O 137869518 343987192 /nfs/dbraw/zinc/98/71/92/343987192.db2.gz XYTHPLDCDUGNQU-UHFFFAOYSA-N 0 0 191.186 1.665 10 0 ADAERN COCCCc1cccnc1 137884620 343987264 /nfs/dbraw/zinc/98/72/64/343987264.db2.gz ZUDSGOBIRODOBU-UHFFFAOYSA-N 0 0 151.209 1.661 10 0 ADAERN Cc1ccc(N2CCCNC2=O)cn1 137922808 343987288 /nfs/dbraw/zinc/98/72/88/343987288.db2.gz AVSJDXMCVPYKGT-UHFFFAOYSA-N 0 0 191.234 1.310 10 0 ADAERN C=Cc1cccc(OCCO)c1 137888962 343987290 /nfs/dbraw/zinc/98/72/90/343987290.db2.gz HZVFUAFVARUKNW-UHFFFAOYSA-N 0 0 164.204 1.701 10 0 ADAERN COc1cc(N)c(Cl)cc1N 137952631 343987368 /nfs/dbraw/zinc/98/73/68/343987368.db2.gz LQRIGLBCGDDYDR-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN CNC(=O)c1ccc(C)nc1Cl 138020626 343987581 /nfs/dbraw/zinc/98/75/81/343987581.db2.gz UWCPJMGULAINRU-UHFFFAOYSA-N 0 0 184.626 1.403 10 0 ADAERN CCc1ccc([C@@H](C)C(N)=O)cc1 137975593 343987671 /nfs/dbraw/zinc/98/76/71/343987671.db2.gz IFLSJFHVKIGMGX-MRVPVSSYSA-N 0 0 177.247 1.838 10 0 ADAERN CCc1ccc([C@H](C)C(N)=O)cc1 137975680 343987692 /nfs/dbraw/zinc/98/76/92/343987692.db2.gz IFLSJFHVKIGMGX-QMMMGPOBSA-N 0 0 177.247 1.838 10 0 ADAERN Cc1c(N)ccc2c1NCCN2 138035796 343987718 /nfs/dbraw/zinc/98/77/18/343987718.db2.gz WIFGOXIWLLJCOP-UHFFFAOYSA-N 0 0 163.224 1.415 10 0 ADAERN CCCCN1C(=O)C2(CC2)N[C@H]1C 138033651 343987758 /nfs/dbraw/zinc/98/77/58/343987758.db2.gz ROZCTDPEMUFDND-MRVPVSSYSA-N 0 0 182.267 1.097 10 0 ADAERN O=C1C[C@@H](O)[C@@H](c2ccccc2)O1 138014803 343987855 /nfs/dbraw/zinc/98/78/55/343987855.db2.gz QGCFDYVSLKBHCO-PSASIEDQSA-N 0 0 178.187 1.036 10 0 ADAERN CCCCN1C(=O)C2(CC2)N[C@@H]1C 138033730 343987863 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343988077 /nfs/dbraw/zinc/98/80/77/343988077.db2.gz OPGGDNWPBIHRFX-HWKANZROSA-N 0 0 195.193 1.594 10 0 ADAERN Cc1cc2c(cc1N)NCCN2 138036430 343988105 /nfs/dbraw/zinc/98/81/05/343988105.db2.gz TUZFFBGZQLLFTK-UHFFFAOYSA-N 0 0 163.224 1.415 10 0 ADAERN COC(=O)[C@H]1CC=C[C@@H](OC(C)=O)C1 138045875 343988197 /nfs/dbraw/zinc/98/81/97/343988197.db2.gz QMTVKLPUNFKWES-DTWKUNHWSA-N 0 0 198.218 1.057 10 0 ADAERN COC(=O)/C=C/c1cc(C)ccc1N 138076155 343988210 /nfs/dbraw/zinc/98/82/10/343988210.db2.gz LXRPMYBJCTYKBT-GQCTYLIASA-N 0 0 191.230 1.763 10 0 ADAERN CCCCN1CNC2(CCCC2)C1=O 138075673 343988217 /nfs/dbraw/zinc/98/82/17/343988217.db2.gz LUPJRNCGRSSSOX-UHFFFAOYSA-N 0 0 196.294 1.489 10 0 ADAERN CC(C)CCN1C(=O)[C@@H](C)N[C@H]1C 138174231 343988319 /nfs/dbraw/zinc/98/83/19/343988319.db2.gz LPJSSGRWPGTLLI-RKDXNWHRSA-N 0 0 184.283 1.199 10 0 ADAERN CSc1nc2cccnc2c(=O)[nH]1 138234345 343988330 /nfs/dbraw/zinc/98/83/30/343988330.db2.gz HVFJQROUJRMNOB-UHFFFAOYSA-N 0 0 193.231 1.040 10 0 ADAERN 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ADAERN O=CNc1ccc(C(F)(F)F)nc1 141317754 344005427 /nfs/dbraw/zinc/00/54/27/344005427.db2.gz VSGDHXXGJWULLU-UHFFFAOYSA-N 0 0 190.124 1.669 10 0 ADAERN CC[C@H]1NCC(=O)N1CC1CCCC1 141345348 344005458 /nfs/dbraw/zinc/00/54/58/344005458.db2.gz PKVSNWRALZXDOR-JTQLQIEISA-N 0 0 196.294 1.345 10 0 ADAERN C[C@H]1NCC(=O)N1CC1CCCCC1 141416446 344005623 /nfs/dbraw/zinc/00/56/23/344005623.db2.gz JFLLSRYXEKSSBA-VIFPVBQESA-N 0 0 196.294 1.345 10 0 ADAERN Cc1cnc(N)nc1C(C)(C)C 141435782 344005626 /nfs/dbraw/zinc/00/56/26/344005626.db2.gz PJIRSVIUEVEBGM-UHFFFAOYSA-N 0 0 165.240 1.665 10 0 ADAERN C[C@@H]1NCC(=O)N1CC1CCCCC1 141416250 344005680 /nfs/dbraw/zinc/00/56/80/344005680.db2.gz JFLLSRYXEKSSBA-SECBINFHSA-N 0 0 196.294 1.345 10 0 ADAERN COc1cc(N)c(C(C)=O)cc1C 141453518 344005740 /nfs/dbraw/zinc/00/57/40/344005740.db2.gz ODVDVLZBSGBQCE-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN CCNC(=O)c1cccc(O)c1C 141454146 344005761 /nfs/dbraw/zinc/00/57/61/344005761.db2.gz RVXCCRAJVDYGED-UHFFFAOYSA-N 0 0 179.219 1.450 10 0 ADAERN N#Cc1ccc(Cl)nc1C#N 141390085 344005866 /nfs/dbraw/zinc/00/58/66/344005866.db2.gz RCUUBFRUENRJNU-UHFFFAOYSA-N 0 0 163.567 1.478 10 0 ADAERN CC(=O)N1Cc2ccccc2CO1 141463498 344005904 /nfs/dbraw/zinc/00/59/04/344005904.db2.gz HNYSZVSPHOFJGY-UHFFFAOYSA-N 0 0 177.203 1.480 10 0 ADAERN CO[C@@H](C1CCCCC1)[C@@H](C)O 141464298 344006094 /nfs/dbraw/zinc/00/60/94/344006094.db2.gz DJAYLVXYVGNTIQ-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN CO[C@H](C1CCCCC1)[C@H](C)O 141464491 344006153 /nfs/dbraw/zinc/00/61/53/344006153.db2.gz DJAYLVXYVGNTIQ-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ncn(CC2CC2)c(=O)c1C 141471359 344006186 /nfs/dbraw/zinc/00/61/86/344006186.db2.gz AZMMFLWVONASBF-UHFFFAOYSA-N 0 0 178.235 1.270 10 0 ADAERN CO[C@H](C1CCCCC1)[C@@H](C)O 141464109 344006209 /nfs/dbraw/zinc/00/62/09/344006209.db2.gz DJAYLVXYVGNTIQ-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN CO[C@@H](C1CCCCC1)[C@H](C)O 141464671 344006237 /nfs/dbraw/zinc/00/62/37/344006237.db2.gz DJAYLVXYVGNTIQ-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)C[C@H](C)N1CNC2(CC2)C1=O 141478506 344006311 /nfs/dbraw/zinc/00/63/11/344006311.db2.gz UTSWNPDJEOMBHF-VIFPVBQESA-N 0 0 196.294 1.343 10 0 ADAERN Nc1cc(CCO)ccc1Cl 141487318 344006363 /nfs/dbraw/zinc/00/63/63/344006363.db2.gz HSEUYHHBSOYIOO-UHFFFAOYSA-N 0 0 171.627 1.457 10 0 ADAERN C[C@H](O)[C@@H](O)/C=C/c1ccccc1 141534029 344006405 /nfs/dbraw/zinc/00/64/05/344006405.db2.gz GLNQFDQDPXHTRK-QARYBLBWSA-N 0 0 178.231 1.442 10 0 ADAERN CCc1c(N)cccc1F 141482742 344006421 /nfs/dbraw/zinc/00/64/21/344006421.db2.gz RWNBRROKBLKJDU-UHFFFAOYSA-N 0 0 139.173 1.970 10 0 ADAERN CC(C)C[C@@H](C)N1CNC2(CC2)C1=O 141478309 344006443 /nfs/dbraw/zinc/00/64/43/344006443.db2.gz UTSWNPDJEOMBHF-SECBINFHSA-N 0 0 196.294 1.343 10 0 ADAERN CCOCc1cc(=O)[nH]c(C2CC2)n1 141604254 344006632 /nfs/dbraw/zinc/00/66/32/344006632.db2.gz COZHNIHTKJGBTR-UHFFFAOYSA-N 0 0 194.234 1.184 10 0 ADAERN CCCN(C)C(=O)c1cnc(C)s1 141626217 344006709 /nfs/dbraw/zinc/00/67/09/344006709.db2.gz FOZLEIWXKVVXGX-UHFFFAOYSA-N 0 0 198.291 1.934 10 0 ADAERN COCC#Cc1ccc(C=O)cc1 141550446 344006833 /nfs/dbraw/zinc/00/68/33/344006833.db2.gz HPFLRTDUPPVVNO-UHFFFAOYSA-N 0 0 174.199 1.497 10 0 ADAERN CCOC(=O)/C=C/C=C/CCCO 141578648 344006944 /nfs/dbraw/zinc/00/69/44/344006944.db2.gz YZUNQSAAJBAFGN-PBOULFJWSA-N 0 0 184.235 1.434 10 0 ADAERN C[C@@H](O)C[C@@H](C)C(F)(F)F 141653296 344007203 /nfs/dbraw/zinc/00/72/03/344007203.db2.gz MRYQZGSLWFAXHX-RFZPGFLSSA-N 0 0 156.147 1.956 10 0 ADAERN CCCC(O)(CCC)CCO 141666971 344007119 /nfs/dbraw/zinc/00/71/19/344007119.db2.gz HVTDFVFZDYCYJI-UHFFFAOYSA-N 0 0 160.257 1.700 10 0 ADAERN O=C1O[C@H]1CCc1ccccc1 141676476 344007193 /nfs/dbraw/zinc/00/71/93/344007193.db2.gz SPCJRQDRWNDUNL-VIFPVBQESA-N 0 0 162.188 1.545 10 0 ADAERN C[C@@H](C[C@@H](C)O)C(F)(F)F 141653672 344007302 /nfs/dbraw/zinc/00/73/02/344007302.db2.gz MRYQZGSLWFAXHX-CRCLSJGQSA-N 0 0 156.147 1.956 10 0 ADAERN CCN(CC)C(=O)c1nccc(C)n1 141637387 344007370 /nfs/dbraw/zinc/00/73/70/344007370.db2.gz SRLVOOCLLGCKJP-UHFFFAOYSA-N 0 0 193.250 1.267 10 0 ADAERN Cc1ccc(N2CCNC2=O)c(F)c1 141673822 344007374 /nfs/dbraw/zinc/00/73/74/344007374.db2.gz VWAVROJXYXNLMA-UHFFFAOYSA-N 0 0 194.209 1.664 10 0 ADAERN CC(C)Nc1cccnc1C(N)=O 141683801 344007404 /nfs/dbraw/zinc/00/74/04/344007404.db2.gz UCFHHQZILHOLMF-UHFFFAOYSA-N 0 0 179.223 1.001 10 0 ADAERN CC(=O)Nc1c(C)cncc1C 141655263 344007434 /nfs/dbraw/zinc/00/74/34/344007434.db2.gz AMUMWJGBYAIUIM-UHFFFAOYSA-N 0 0 164.208 1.657 10 0 ADAERN C[C@H](O)C[C@H](C)C(F)(F)F 141653854 344007454 /nfs/dbraw/zinc/00/74/54/344007454.db2.gz MRYQZGSLWFAXHX-WHFBIAKZSA-N 0 0 156.147 1.956 10 0 ADAERN O=C1O[C@@H]1CCc1ccccc1 141676288 344007481 /nfs/dbraw/zinc/00/74/81/344007481.db2.gz SPCJRQDRWNDUNL-SECBINFHSA-N 0 0 162.188 1.545 10 0 ADAERN C[C@H](O)C[C@@H](C)C(F)(F)F 141653474 344007545 /nfs/dbraw/zinc/00/75/45/344007545.db2.gz MRYQZGSLWFAXHX-UHNVWZDZSA-N 0 0 156.147 1.956 10 0 ADAERN CC(=O)c1c(Cl)ccc(O)c1N 141746343 344007678 /nfs/dbraw/zinc/00/76/78/344007678.db2.gz BJWZQVWRKYFSET-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CCOC(=O)[C@@H](C)CCC(C)=O 141694811 344007687 /nfs/dbraw/zinc/00/76/87/344007687.db2.gz ZJWLLXQQYYTJSW-ZETCQYMHSA-N 0 0 172.224 1.555 10 0 ADAERN CCOC(=O)[C@H](C)CCC(C)=O 141694988 344007693 /nfs/dbraw/zinc/00/76/93/344007693.db2.gz ZJWLLXQQYYTJSW-SSDOTTSWSA-N 0 0 172.224 1.555 10 0 ADAERN CO[C@H](C)[C@@H](C)[C@H](C)O 141728428 344007706 /nfs/dbraw/zinc/00/77/06/344007706.db2.gz DXKCNXIRZXSQNT-LYFYHCNISA-N 0 0 132.203 1.038 10 0 ADAERN CO[C@H](C)[C@@H](C)[C@@H](C)O 141728147 344007709 /nfs/dbraw/zinc/00/77/09/344007709.db2.gz DXKCNXIRZXSQNT-RRKCRQDMSA-N 0 0 132.203 1.038 10 0 ADAERN COc1cccnc1-n1ccnc1 141742549 344007742 /nfs/dbraw/zinc/00/77/42/344007742.db2.gz PRXYHUVJSLCIPX-UHFFFAOYSA-N 0 0 175.191 1.276 10 0 ADAERN O=C1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 141720244 344007803 /nfs/dbraw/zinc/00/78/03/344007803.db2.gz PAVJGYWYEOGARA-IVZWLZJFSA-N 0 0 182.263 1.907 10 0 ADAERN CCCc1cc(C(=O)OC)ccn1 141726835 344007809 /nfs/dbraw/zinc/00/78/09/344007809.db2.gz OFRVBOAKBNDKFE-UHFFFAOYSA-N 0 0 179.219 1.821 10 0 ADAERN Cc1cc(Cn2ccnc2)ncn1 141759783 344007869 /nfs/dbraw/zinc/00/78/69/344007869.db2.gz OCZARSBPBHHMKH-UHFFFAOYSA-N 0 0 174.207 1.030 10 0 ADAERN CO[C@H](C)[C@H](C)[C@@H](C)O 141728252 344007978 /nfs/dbraw/zinc/00/79/78/344007978.db2.gz DXKCNXIRZXSQNT-FSDSQADBSA-N 0 0 132.203 1.038 10 0 ADAERN N#Cc1cc(F)c(N)nc1Cl 141757026 344007986 /nfs/dbraw/zinc/00/79/86/344007986.db2.gz AIJNOCYLVBYQPU-UHFFFAOYSA-N 0 0 171.562 1.328 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ccc(N)cc1 141776993 344008142 /nfs/dbraw/zinc/00/81/42/344008142.db2.gz ZEBAUJWNOXKLHX-SFYZADRCSA-N 0 0 180.251 1.450 10 0 ADAERN CCNc1ccnc(F)c1 141810518 344008162 /nfs/dbraw/zinc/00/81/62/344008162.db2.gz SKQMQGOCXGEBKO-UHFFFAOYSA-N 0 0 140.161 1.653 10 0 ADAERN CC(C)[C@H]1NCC(=O)N1[C@H](C)C1CC1 141784763 344008172 /nfs/dbraw/zinc/00/81/72/344008172.db2.gz LMOKLVCKRHIDNO-KCJUWKMLSA-N 0 0 196.294 1.199 10 0 ADAERN O=C(c1ccccc1)[C@@H]1CCO1 141823410 344008199 /nfs/dbraw/zinc/00/81/99/344008199.db2.gz NZHZYLBVNDWNFY-VIFPVBQESA-N 0 0 162.188 1.658 10 0 ADAERN C[C@H](Nc1ccc(N)cc1)[C@@H](C)O 141776390 344008203 /nfs/dbraw/zinc/00/82/03/344008203.db2.gz ZEBAUJWNOXKLHX-JGVFFNPUSA-N 0 0 180.251 1.450 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1[C@@H](C)C1CC1 141784210 344008237 /nfs/dbraw/zinc/00/82/37/344008237.db2.gz LMOKLVCKRHIDNO-GZMMTYOYSA-N 0 0 196.294 1.199 10 0 ADAERN C[C@H](O)C(=O)Cc1ccsc1 141821892 344008243 /nfs/dbraw/zinc/00/82/43/344008243.db2.gz LWYNVJUTQSMPPP-LURJTMIESA-N 0 0 170.233 1.241 10 0 ADAERN C[C@@H](O)C(=O)Cc1ccsc1 141821680 344008254 /nfs/dbraw/zinc/00/82/54/344008254.db2.gz LWYNVJUTQSMPPP-ZCFIWIBFSA-N 0 0 170.233 1.241 10 0 ADAERN C[C@H](O)[C@H](C)Nc1ccc(N)cc1 141776796 344008276 /nfs/dbraw/zinc/00/82/76/344008276.db2.gz ZEBAUJWNOXKLHX-YUMQZZPRSA-N 0 0 180.251 1.450 10 0 ADAERN CC(C)CCn1cc[nH]c1=O 141826328 344008315 /nfs/dbraw/zinc/00/83/15/344008315.db2.gz AHJXVNFUNCPDRV-UHFFFAOYSA-N 0 0 154.213 1.223 10 0 ADAERN CCNc1cncc(F)c1 141810325 344008326 /nfs/dbraw/zinc/00/83/26/344008326.db2.gz INUHOYPCDVLIRY-UHFFFAOYSA-N 0 0 140.161 1.653 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1ccc(N)cc1 141776589 344008333 /nfs/dbraw/zinc/00/83/33/344008333.db2.gz ZEBAUJWNOXKLHX-HTQZYQBOSA-N 0 0 180.251 1.450 10 0 ADAERN CC(C)[C@H]1NCC(=O)N1[C@@H](C)C1CC1 141784394 344008355 /nfs/dbraw/zinc/00/83/55/344008355.db2.gz LMOKLVCKRHIDNO-KWQFWETISA-N 0 0 196.294 1.199 10 0 ADAERN CCc1cc(O)cc(C)c1N 141817863 344008368 /nfs/dbraw/zinc/00/83/68/344008368.db2.gz PNPYYSANMRPVKP-UHFFFAOYSA-N 0 0 151.209 1.845 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1[C@H](C)C1CC1 141784573 344008390 /nfs/dbraw/zinc/00/83/90/344008390.db2.gz LMOKLVCKRHIDNO-LDYMZIIASA-N 0 0 196.294 1.199 10 0 ADAERN C=CC(=O)Nc1cc(C)cc(O)c1 141810096 344008392 /nfs/dbraw/zinc/00/83/92/344008392.db2.gz AUMDIVRXVAYUDV-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN O=C(c1ccccc1)[C@H]1CCO1 141823593 344008396 /nfs/dbraw/zinc/00/83/96/344008396.db2.gz NZHZYLBVNDWNFY-SECBINFHSA-N 0 0 162.188 1.658 10 0 ADAERN Cc1cccc(C2=CC(=O)NC2=O)c1 141865126 344008586 /nfs/dbraw/zinc/00/85/86/344008586.db2.gz WLMYTTQLLCTJKQ-UHFFFAOYSA-N 0 0 187.198 1.035 10 0 ADAERN CC(C)C1(C(C)C)NC(=O)CC1=O 141874657 344008615 /nfs/dbraw/zinc/00/86/15/344008615.db2.gz HBEMOBAOFMJOHI-UHFFFAOYSA-N 0 0 183.251 1.126 10 0 ADAERN CCOCCCOCOCC 141880506 344008796 /nfs/dbraw/zinc/00/87/96/344008796.db2.gz TXBDEUKUFAKXDX-UHFFFAOYSA-N 0 0 162.229 1.424 10 0 ADAERN CC/C(C)=C(/C)C(N)=O 141891398 344008805 /nfs/dbraw/zinc/00/88/05/344008805.db2.gz XINDZEINPRPRGS-WAYWQWQTSA-N 0 0 127.187 1.218 10 0 ADAERN CC/C(C)=C(\C)C(N)=O 141891799 344008824 /nfs/dbraw/zinc/00/88/24/344008824.db2.gz XINDZEINPRPRGS-AATRIKPKSA-N 0 0 127.187 1.218 10 0 ADAERN Cn1nnc(-c2cccc(Cl)c2)n1 141926864 344009089 /nfs/dbraw/zinc/00/90/89/344009089.db2.gz DPJIZBAKTVRYJU-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CNc1c(N)c[nH+]c2ccc(F)cc12 141933742 344009131 /nfs/dbraw/zinc/00/91/31/344009131.db2.gz WLPFAERBYCOGQZ-UHFFFAOYSA-N 0 0 191.209 1.998 10 0 ADAERN CCOC(=O)[C@@H]1C[C@H]1CC 142006057 344009143 /nfs/dbraw/zinc/00/91/43/344009143.db2.gz YHHXIIBFDYCARD-RNFRBKRXSA-N 0 0 142.198 1.596 10 0 ADAERN CC(=O)[C@H]1Cc2ccccc2CO1 141985059 344009220 /nfs/dbraw/zinc/00/92/20/344009220.db2.gz MNVOCNTXXOIBDP-LLVKDONJSA-N 0 0 176.215 1.717 10 0 ADAERN CCc1ccc2ccc(N)nc2n1 141946045 344009246 /nfs/dbraw/zinc/00/92/46/344009246.db2.gz RVVDLPZNYWAUCM-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN C=CC(=O)Oc1cccc(F)c1 141943948 344009255 /nfs/dbraw/zinc/00/92/55/344009255.db2.gz DLCLLGYYNXJCMB-UHFFFAOYSA-N 0 0 166.151 1.917 10 0 ADAERN CC(=O)[C@@H]1Cc2ccccc2CO1 141984866 344009265 /nfs/dbraw/zinc/00/92/65/344009265.db2.gz MNVOCNTXXOIBDP-NSHDSACASA-N 0 0 176.215 1.717 10 0 ADAERN CCc1nc2c(s1)C[N@H+](C)CC2 141968509 344009306 /nfs/dbraw/zinc/00/93/06/344009306.db2.gz FRKJUPJPTHVQHT-UHFFFAOYSA-N 0 0 182.292 1.693 10 0 ADAERN CCC(=O)[C@H]1CCC[N@@H+]1C 141970060 344009432 /nfs/dbraw/zinc/00/94/32/344009432.db2.gz BCSDRBQMHIMWHO-SSDOTTSWSA-N 0 0 141.214 1.060 10 0 ADAERN COc1cc(C)c(OC)c(N)c1 141947768 344009440 /nfs/dbraw/zinc/00/94/40/344009440.db2.gz XSJZQAGTGQIGHD-UHFFFAOYSA-N 0 0 167.208 1.594 10 0 ADAERN CCc1cc(F)ccc1CO 142036852 344009672 /nfs/dbraw/zinc/00/96/72/344009672.db2.gz YFAQXMYNKIXZGG-UHFFFAOYSA-N 0 0 154.184 1.880 10 0 ADAERN CC/C=C/C(=O)NC(C)C 142050738 344009751 /nfs/dbraw/zinc/00/97/51/344009751.db2.gz VZZKDJYOAQSXSR-AATRIKPKSA-N 0 0 141.214 1.477 10 0 ADAERN Nc1cccc2c(N)nccc12 142042359 344009778 /nfs/dbraw/zinc/00/97/78/344009778.db2.gz KBJRTCUFZWERQK-UHFFFAOYSA-N 0 0 159.192 1.399 10 0 ADAERN O=C(Nc1ncc[nH]1)c1cncs1 142029923 344009802 /nfs/dbraw/zinc/00/98/02/344009802.db2.gz OZQCYELKMCHZDT-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN COc1cc(C)c2ccc(=O)[nH]c2n1 142082232 344009882 /nfs/dbraw/zinc/00/98/82/344009882.db2.gz SFUKKMIDSQIVQX-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN OC[C@@H]1CO[C@@H](c2ccccc2)CO1 142020528 344009903 /nfs/dbraw/zinc/00/99/03/344009903.db2.gz WSGSBIHHRZPDCD-GHMZBOCLSA-N 0 0 194.230 1.135 10 0 ADAERN CN1CC(=O)N(CCC(C)(C)C)C1=O 142032872 344009937 /nfs/dbraw/zinc/00/99/37/344009937.db2.gz BNCBIXLVHLVEFK-UHFFFAOYSA-N 0 0 198.266 1.317 10 0 ADAERN CN1CCC[C@@H]1C(F)(F)F 142100906 344010256 /nfs/dbraw/zinc/01/02/56/344010256.db2.gz WABWXXQPBSCPSL-RXMQYKEDSA-N 0 0 153.147 1.643 10 0 ADAERN CN1CCOC[C@@H]1c1ccc(F)cc1 142102111 344010268 /nfs/dbraw/zinc/01/02/68/344010268.db2.gz RXXYJBUUGPAHIJ-LLVKDONJSA-N 0 0 195.237 1.829 10 0 ADAERN C/C=C1/CN=N[C@H]1C 142152271 344010306 /nfs/dbraw/zinc/01/03/06/344010306.db2.gz CBTNIBWJUJEPJF-LPHWOVDOSA-N 0 0 110.160 1.787 10 0 ADAERN C/C=C1/CN=N[C@@H]1C 142152054 344010308 /nfs/dbraw/zinc/01/03/08/344010308.db2.gz CBTNIBWJUJEPJF-NSHLVMESSA-N 0 0 110.160 1.787 10 0 ADAERN CN1CCC[C@H]1C(F)(F)F 142101133 344010320 /nfs/dbraw/zinc/01/03/20/344010320.db2.gz WABWXXQPBSCPSL-YFKPBYRVSA-N 0 0 153.147 1.643 10 0 ADAERN COc1cc(C(F)(F)F)nc(C)n1 142099096 344010366 /nfs/dbraw/zinc/01/03/66/344010366.db2.gz NDBQOTGMQQRYFO-UHFFFAOYSA-N 0 0 192.140 1.812 10 0 ADAERN CNC(=O)NC(C)(C)C(F)(F)F 142142120 344010373 /nfs/dbraw/zinc/01/03/73/344010373.db2.gz SKXZTOAOSQXJCB-UHFFFAOYSA-N 0 0 184.161 1.256 10 0 ADAERN CN1CCOC[C@H]1c1ccc(F)cc1 142102367 344010396 /nfs/dbraw/zinc/01/03/96/344010396.db2.gz RXXYJBUUGPAHIJ-NSHDSACASA-N 0 0 195.237 1.829 10 0 ADAERN CC(=O)CCc1snnc1C 142118672 344010443 /nfs/dbraw/zinc/01/04/43/344010443.db2.gz GPIDBUWYZBXKGB-UHFFFAOYSA-N 0 0 170.237 1.368 10 0 ADAERN Cc1c(F)ccc(C(N)=O)c1Cl 142181924 344010764 /nfs/dbraw/zinc/01/07/64/344010764.db2.gz XTYIAMAJRRJFJD-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN O=c1[nH]ccn2c1cc1ccccc12 142183170 344010782 /nfs/dbraw/zinc/01/07/82/344010782.db2.gz WAXJARYQFLMNEX-UHFFFAOYSA-N 0 0 184.198 1.781 10 0 ADAERN CCOC(=O)c1c(C2CC2)ccn1N 142213300 344010796 /nfs/dbraw/zinc/01/07/96/344010796.db2.gz CNMKSCMIXSGGRO-UHFFFAOYSA-N 0 0 194.234 1.256 10 0 ADAERN CC(=O)N1CCC[C@@H]1C(F)(F)F 142165759 344010810 /nfs/dbraw/zinc/01/08/10/344010810.db2.gz HOYDAUIFFFXJOF-ZCFIWIBFSA-N 0 0 181.157 1.560 10 0 ADAERN COc1cc(N)c(C(C)=O)cc1O 142207713 344010813 /nfs/dbraw/zinc/01/08/13/344010813.db2.gz ORQOBWXMQICOHF-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN C[C@@H](O)c1ccnc2ncccc12 142162908 344010837 /nfs/dbraw/zinc/01/08/37/344010837.db2.gz FSLMCEIBJQAVFZ-SSDOTTSWSA-N 0 0 174.203 1.683 10 0 ADAERN CC(C)(C)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 142222549 344010863 /nfs/dbraw/zinc/01/08/63/344010863.db2.gz KDQWYNQBXKDUOY-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@H](O)c1ccnc2ncccc12 142162722 344010871 /nfs/dbraw/zinc/01/08/71/344010871.db2.gz FSLMCEIBJQAVFZ-ZETCQYMHSA-N 0 0 174.203 1.683 10 0 ADAERN Cc1c[n+]([O-])cc2ccccc12 142184975 344010874 /nfs/dbraw/zinc/01/08/74/344010874.db2.gz NBFTXSCXAKZFKA-UHFFFAOYSA-N 0 0 159.188 1.782 10 0 ADAERN Cc1onc(CO)c1Br 142181682 344010913 /nfs/dbraw/zinc/01/09/13/344010913.db2.gz DUVOSOWXFVVVBU-UHFFFAOYSA-N 0 0 192.012 1.238 10 0 ADAERN CC(C)(C)[N@@H+]1CCC[C@H](C(=O)[O-])C1 142222314 344010924 /nfs/dbraw/zinc/01/09/24/344010924.db2.gz KDQWYNQBXKDUOY-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN COc1cnc2ncccc2c1C=O 142163304 344010930 /nfs/dbraw/zinc/01/09/30/344010930.db2.gz YERCYIKLUCSUOT-UHFFFAOYSA-N 0 0 188.186 1.451 10 0 ADAERN CC(=O)CCc1scnc1C 142230029 344010939 /nfs/dbraw/zinc/01/09/39/344010939.db2.gz MMCNMLAHBOXLSW-UHFFFAOYSA-N 0 0 169.249 1.973 10 0 ADAERN CC(=O)[C@H]1COCc2ccccc21 142203650 344011012 /nfs/dbraw/zinc/01/10/12/344011012.db2.gz MCSBVXURKJZUHJ-LLVKDONJSA-N 0 0 176.215 1.889 10 0 ADAERN CC(=O)[C@@H]1COCc2ccccc21 142203439 344011022 /nfs/dbraw/zinc/01/10/22/344011022.db2.gz MCSBVXURKJZUHJ-NSHDSACASA-N 0 0 176.215 1.889 10 0 ADAERN NC(=O)C1CCC2(CC1)CC2 142290390 344011294 /nfs/dbraw/zinc/01/12/94/344011294.db2.gz CAOJLFFLAMIDBU-UHFFFAOYSA-N 0 0 153.225 1.442 10 0 ADAERN C[C@@H]1NCN(CCC2CCCC2)C1=O 142278231 344011238 /nfs/dbraw/zinc/01/12/38/344011238.db2.gz FDTXYJIYBVDMKA-VIFPVBQESA-N 0 0 196.294 1.345 10 0 ADAERN CN1CCC[C@H]1c1nccs1 142240865 344011244 /nfs/dbraw/zinc/01/12/44/344011244.db2.gz VTIBPPNABQCAJJ-ZETCQYMHSA-N 0 0 168.265 1.910 10 0 ADAERN CC(=O)NC1CC(C(C)C)C1 142303975 344011251 /nfs/dbraw/zinc/01/12/51/344011251.db2.gz NXDAHNWPBPNKRR-UHFFFAOYSA-N 0 0 155.241 1.557 10 0 ADAERN CN1CCC[C@@H]1c1ncco1 142239464 344011257 /nfs/dbraw/zinc/01/12/57/344011257.db2.gz AZKGEIALCDMUTQ-SSDOTTSWSA-N 0 0 152.197 1.441 10 0 ADAERN CCc1ccc2ccc(=O)[nH]c2n1 142251561 344011281 /nfs/dbraw/zinc/01/12/81/344011281.db2.gz GHWKPWDWQJYGES-UHFFFAOYSA-N 0 0 174.203 1.486 10 0 ADAERN C[C@@H](C(=O)N1CCCC1)[NH+]1CCCC1 142301470 344011338 /nfs/dbraw/zinc/01/13/38/344011338.db2.gz SEGFOWLTIUWPBB-JTQLQIEISA-N 0 0 196.294 1.093 10 0 ADAERN C[C@H](C(=O)N1CCCC1)[NH+]1CCCC1 142301238 344011357 /nfs/dbraw/zinc/01/13/57/344011357.db2.gz SEGFOWLTIUWPBB-SNVBAGLBSA-N 0 0 196.294 1.093 10 0 ADAERN CSCCOCCC(C)=O 142265835 344011439 /nfs/dbraw/zinc/01/14/39/344011439.db2.gz BYLZDLBJLNFSID-UHFFFAOYSA-N 0 0 162.254 1.345 10 0 ADAERN C[C@H]1NCN(CCC2CCCC2)C1=O 142278021 344011467 /nfs/dbraw/zinc/01/14/67/344011467.db2.gz FDTXYJIYBVDMKA-SECBINFHSA-N 0 0 196.294 1.345 10 0 ADAERN OC/C(=C/F)c1ccccc1 142271618 344011499 /nfs/dbraw/zinc/01/14/99/344011499.db2.gz ONGDZWWVPUILEB-TWGQIWQCSA-N 0 0 152.168 1.989 10 0 ADAERN CN1CCC[C@H]1c1ncco1 142239702 344011507 /nfs/dbraw/zinc/01/15/07/344011507.db2.gz AZKGEIALCDMUTQ-ZETCQYMHSA-N 0 0 152.197 1.441 10 0 ADAERN Cn1ncc(-c2cccs2)c1C=O 142292140 344011569 /nfs/dbraw/zinc/01/15/69/344011569.db2.gz LEWLLDPDEDHGAD-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN Cc1cn2ccc(Cl)c2c(=O)[nH]1 142260077 344011606 /nfs/dbraw/zinc/01/16/06/344011606.db2.gz BTRNFQVJABVFFW-UHFFFAOYSA-N 0 0 182.610 1.589 10 0 ADAERN c1ccc(CSn2cncn2)cc1 142371527 344011774 /nfs/dbraw/zinc/01/17/74/344011774.db2.gz HRFCPTKKHXWGTB-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN COC(=O)C=CNc1ccc(F)cc1 142360073 344011786 /nfs/dbraw/zinc/01/17/86/344011786.db2.gz JRWKBULWBCNWQD-VOTSOKGWSA-N 0 0 195.193 1.924 10 0 ADAERN CCOC(=O)/C=C/c1cnc(N)s1 142326696 344011824 /nfs/dbraw/zinc/01/18/24/344011824.db2.gz IJQUDUJVTRSBPL-ONEGZZNKSA-N 0 0 198.247 1.302 10 0 ADAERN COC(=O)c1c(N)ccc(F)c1C 142340058 344011826 /nfs/dbraw/zinc/01/18/26/344011826.db2.gz FNNFNIJPXIQGMA-UHFFFAOYSA-N 0 0 183.182 1.503 10 0 ADAERN CCN(C(N)=S)C(C)(C)C 142316583 344011882 /nfs/dbraw/zinc/01/18/82/344011882.db2.gz RTXBVQXJKMWKFN-UHFFFAOYSA-N 0 0 160.286 1.350 10 0 ADAERN CCOC(=O)CCCOC(C)C 142377665 344011892 /nfs/dbraw/zinc/01/18/92/344011892.db2.gz DLXXCWDDXPVXJC-UHFFFAOYSA-N 0 0 174.240 1.755 10 0 ADAERN CC(=O)Oc1n[nH]c2ccccc12 142355234 344011899 /nfs/dbraw/zinc/01/18/99/344011899.db2.gz CLXQIIVDJJKTLZ-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN C[C@@H]1NCC(=O)N1CCC1CCCC1 142339625 344011915 /nfs/dbraw/zinc/01/19/15/344011915.db2.gz DISIATBZJFHGSW-SECBINFHSA-N 0 0 196.294 1.345 10 0 ADAERN COC(=O)c1cc(F)c(OC)cc1C 142340395 344011938 /nfs/dbraw/zinc/01/19/38/344011938.db2.gz LQMOTYSLADCTFZ-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN C[C@H]1NCC(=O)N1CCC1CCCC1 142339837 344011945 /nfs/dbraw/zinc/01/19/45/344011945.db2.gz DISIATBZJFHGSW-VIFPVBQESA-N 0 0 196.294 1.345 10 0 ADAERN COC(=O)/C=C1\COCc2ccoc21 142378044 344011993 /nfs/dbraw/zinc/01/19/93/344011993.db2.gz ZAQWONZWFKLROP-XBXARRHUSA-N 0 0 194.186 1.366 10 0 ADAERN O=C1CNCN1CCC1CCCCC1 142379133 344012015 /nfs/dbraw/zinc/01/20/15/344012015.db2.gz AMMNGDQCPJFVIH-UHFFFAOYSA-N 0 0 196.294 1.346 10 0 ADAERN CC(=O)NCCNc1cccc(C)c1 142374022 344012023 /nfs/dbraw/zinc/01/20/23/344012023.db2.gz HEPZVMHUUWLTAW-UHFFFAOYSA-N 0 0 192.262 1.543 10 0 ADAERN Cc1c[nH]c(=O)c2c(F)cccc12 142384615 344012260 /nfs/dbraw/zinc/01/22/60/344012260.db2.gz QCLZXXFTHBIBKX-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN CC[C@]12CCCC(=O)[C@H]1O2 142409764 344012341 /nfs/dbraw/zinc/01/23/41/344012341.db2.gz OMDXPZIFYNUTFA-SFYZADRCSA-N 0 0 140.182 1.287 10 0 ADAERN COC(=O)Cc1c(N)cccc1Cl 142465711 344012400 /nfs/dbraw/zinc/01/24/00/344012400.db2.gz NNZPIDPPVZBMMY-UHFFFAOYSA-N 0 0 199.637 1.638 10 0 ADAERN CC(C)[C@]12CCCC(=O)[C@H]1O2 142409986 344012430 /nfs/dbraw/zinc/01/24/30/344012430.db2.gz QZTGCWHKJGIALU-RKDXNWHRSA-N 0 0 154.209 1.533 10 0 ADAERN CCn1nc(-c2ccccn2)cc1N 142380648 344012515 /nfs/dbraw/zinc/01/25/15/344012515.db2.gz ZYBIEKGKKWZOGF-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC(C)C[C@]12CCCC(=O)[C@H]1O2 142410190 344012554 /nfs/dbraw/zinc/01/25/54/344012554.db2.gz GPGSWGHWZBSZEB-NXEZZACHSA-N 0 0 168.236 1.923 10 0 ADAERN CC[C@]12CCCCC(=O)[C@H]1O2 142410676 344012606 /nfs/dbraw/zinc/01/26/06/344012606.db2.gz SIZBLKUJFOUPGQ-BDAKNGLRSA-N 0 0 154.209 1.677 10 0 ADAERN COc1c(F)cc(F)c(F)c1CO 142421390 344012679 /nfs/dbraw/zinc/01/26/79/344012679.db2.gz DSXZOMNTLNDFNH-UHFFFAOYSA-N 0 0 192.136 1.605 10 0 ADAERN C=Cc1ccc(=O)n(C)c1 142534516 344012894 /nfs/dbraw/zinc/01/28/94/344012894.db2.gz OPYPIFDFOLUUSH-UHFFFAOYSA-N 0 0 135.166 1.028 10 0 ADAERN OCc1csc(-c2cnco2)n1 142522856 344012898 /nfs/dbraw/zinc/01/28/98/344012898.db2.gz LTBVSFOZNYAENN-UHFFFAOYSA-N 0 0 182.204 1.290 10 0 ADAERN CCC(=O)c1cnc(C)cn1 142500746 344012951 /nfs/dbraw/zinc/01/29/51/344012951.db2.gz BFBFFGRTXPHFMD-UHFFFAOYSA-N 0 0 150.181 1.378 10 0 ADAERN O=S1(=O)CCCCCCCC1 142581498 344013377 /nfs/dbraw/zinc/01/33/77/344013377.db2.gz NFLCXILSXXHXRW-UHFFFAOYSA-N 0 0 176.281 1.755 10 0 ADAERN CCOC(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 142535327 344012994 /nfs/dbraw/zinc/01/29/94/344012994.db2.gz CJXIYPTVYDXXDI-HTQZYQBOSA-N 0 0 199.250 1.300 10 0 ADAERN CCc1cn2ccc(Cl)c2c(=O)[nH]1 142481553 344013014 /nfs/dbraw/zinc/01/30/14/344013014.db2.gz RKJHZLDAMZZYOE-UHFFFAOYSA-N 0 0 196.637 1.843 10 0 ADAERN CCOCCN(CC)CC(F)(F)F 142517395 344013074 /nfs/dbraw/zinc/01/30/74/344013074.db2.gz GIXZBIYOXKYGDM-UHFFFAOYSA-N 0 0 199.216 1.907 10 0 ADAERN O=C1NC=CCN1c1ccccc1 142491886 344013086 /nfs/dbraw/zinc/01/30/86/344013086.db2.gz HMYBUJTWQFVUFN-UHFFFAOYSA-N 0 0 174.203 1.730 10 0 ADAERN O=C1CCCCCC(=O)CC1 142471107 344013089 /nfs/dbraw/zinc/01/30/89/344013089.db2.gz DMWAGNKQUHYLMS-UHFFFAOYSA-N 0 0 154.209 1.869 10 0 ADAERN NC(=O)c1c(F)cc(F)cc1Cl 142548673 344013297 /nfs/dbraw/zinc/01/32/97/344013297.db2.gz UXFXHXLQSZPLGB-UHFFFAOYSA-N 0 0 191.564 1.717 10 0 ADAERN Nc1cccc(F)c1NC1CC1 142608960 344013320 /nfs/dbraw/zinc/01/33/20/344013320.db2.gz NQDHIXGIFGIDKK-UHFFFAOYSA-N 0 0 166.199 1.982 10 0 ADAERN O=C(Nc1ncc[nH]1)c1ccsn1 142595950 344013346 /nfs/dbraw/zinc/01/33/46/344013346.db2.gz UPBCCQZNEYFNEK-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN C=Cc1cc(C(=O)OC)nc(C)n1 142617810 344013360 /nfs/dbraw/zinc/01/33/60/344013360.db2.gz ROTMKLUSZQMZGZ-UHFFFAOYSA-N 0 0 178.191 1.215 10 0 ADAERN COC(=O)Cc1cc(C)c(O)c(C)c1 142600265 344013453 /nfs/dbraw/zinc/01/34/53/344013453.db2.gz UCJBJPOAPYTDOA-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN CC(=O)c1cc2ccccc2c(=O)o1 142544059 344013480 /nfs/dbraw/zinc/01/34/80/344013480.db2.gz YZLUKAVLIALMCD-UHFFFAOYSA-N 0 0 188.182 1.996 10 0 ADAERN COc1ccc([N+](=O)[O-])c(C)c1N 142557186 344013490 /nfs/dbraw/zinc/01/34/90/344013490.db2.gz OCGREBZYXCGQIN-UHFFFAOYSA-N 0 0 182.179 1.494 10 0 ADAERN CCc1cc(N)c(O)cc1C 142587353 344013505 /nfs/dbraw/zinc/01/35/05/344013505.db2.gz PIYIAALJUNXKAY-UHFFFAOYSA-N 0 0 151.209 1.845 10 0 ADAERN O=C1CNCc2cc(F)c(F)cc2N1 142546022 344013521 /nfs/dbraw/zinc/01/35/21/344013521.db2.gz MSPFQHFQURMTAF-UHFFFAOYSA-N 0 0 198.172 1.007 10 0 ADAERN CCc1cnc(F)c(F)c1 142690585 344013705 /nfs/dbraw/zinc/01/37/05/344013705.db2.gz UGIFPGQBNZBMPB-UHFFFAOYSA-N 0 0 143.136 1.922 10 0 ADAERN O=CC(=O)c1occ2ccccc12 142643008 344013777 /nfs/dbraw/zinc/01/37/77/344013777.db2.gz UXUDUJINXGWUPB-UHFFFAOYSA-N 0 0 174.155 1.814 10 0 ADAERN On1cccc2nc(C3CCC3)nc1-2 142660689 344013840 /nfs/dbraw/zinc/01/38/40/344013840.db2.gz CPYMTAJXUQCLIX-UHFFFAOYSA-N 0 0 189.218 1.888 10 0 ADAERN CCc1c(CO)nc2sccn12 142689617 344013844 /nfs/dbraw/zinc/01/38/44/344013844.db2.gz QRBUSEVIFFUROF-UHFFFAOYSA-N 0 0 182.248 1.451 10 0 ADAERN Cc1c(O)ccc(F)c1N 142633769 344013938 /nfs/dbraw/zinc/01/39/38/344013938.db2.gz OIAWIBFDSKVGHB-UHFFFAOYSA-N 0 0 141.145 1.422 10 0 ADAERN CCCC(=O)C(=O)OCC 142637973 344013993 /nfs/dbraw/zinc/01/39/93/344013993.db2.gz JMPIZCLKSBXHBZ-AATRIKPKSA-N 0 0 144.170 1.401 10 0 ADAERN O=Cc1cc2scnc2[nH]1 142641017 344014057 /nfs/dbraw/zinc/01/40/57/344014057.db2.gz YDVOIMVJTUPPNI-UHFFFAOYSA-N 0 0 152.178 1.437 10 0 ADAERN O=Cc1ccc(-c2cnccn2)o1 142648560 344014095 /nfs/dbraw/zinc/01/40/95/344014095.db2.gz PVFKVRNVFWXFJV-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CC(C)[C@H]1NCC(=O)N1CC(C)(C)C 142738088 344014165 /nfs/dbraw/zinc/01/41/65/344014165.db2.gz DSQMJZMLBNBHQC-JTQLQIEISA-N 0 0 198.310 1.446 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1CC(C)(C)C 142737873 344014169 /nfs/dbraw/zinc/01/41/69/344014169.db2.gz DSQMJZMLBNBHQC-SNVBAGLBSA-N 0 0 198.310 1.446 10 0 ADAERN COc1ccc(Cl)c(N)c1OC 142745722 344014179 /nfs/dbraw/zinc/01/41/79/344014179.db2.gz CNRACEZMVKLYMM-UHFFFAOYSA-N 0 0 187.626 1.939 10 0 ADAERN CC[C@H](O)[C@H](O)c1cccc(F)c1 142725706 344014182 /nfs/dbraw/zinc/01/41/82/344014182.db2.gz LHBBKBIYPVHBTG-VHSXEESVSA-N 0 0 184.210 1.630 10 0 ADAERN CC[C@@H]1N[C@H](C)C(=O)N1CC(C)(C)C 142722747 344014214 /nfs/dbraw/zinc/01/42/14/344014214.db2.gz VRHRHZJRARDCIV-RKDXNWHRSA-N 0 0 198.310 1.589 10 0 ADAERN c1nnc(N2CCCC2)s1 142734856 344014216 /nfs/dbraw/zinc/01/42/16/344014216.db2.gz LKXSQEFFJUYCQD-UHFFFAOYSA-N 0 0 155.226 1.138 10 0 ADAERN CC[C@@H](O)[C@@H](O)c1cccc(F)c1 142725235 344014220 /nfs/dbraw/zinc/01/42/20/344014220.db2.gz LHBBKBIYPVHBTG-ZJUUUORDSA-N 0 0 184.210 1.630 10 0 ADAERN C[C@H]1N[C@H](C)C(=O)N1CC(C)(C)C 142739559 344014229 /nfs/dbraw/zinc/01/42/29/344014229.db2.gz KRKRGISWTULNAF-SFYZADRCSA-N 0 0 184.283 1.199 10 0 ADAERN O=C1CCCN1Cc1cccc(O)c1 142740721 344014253 /nfs/dbraw/zinc/01/42/53/344014253.db2.gz DPAFEZNKTJTULX-UHFFFAOYSA-N 0 0 191.230 1.515 10 0 ADAERN COC(=O)c1cccc(OCCF)c1 142712174 344014256 /nfs/dbraw/zinc/01/42/56/344014256.db2.gz HEJCQJRLQWUJIA-UHFFFAOYSA-N 0 0 198.193 1.822 10 0 ADAERN CC(C)[C@@H]1NCN(CC(C)(C)C)C1=O 142760920 344014286 /nfs/dbraw/zinc/01/42/86/344014286.db2.gz QMOLKOYDVRKOJH-VIFPVBQESA-N 0 0 198.310 1.446 10 0 ADAERN CC[C@@H](O)[C@H](O)c1cccc(F)c1 142725040 344014361 /nfs/dbraw/zinc/01/43/61/344014361.db2.gz LHBBKBIYPVHBTG-NXEZZACHSA-N 0 0 184.210 1.630 10 0 ADAERN c1cnc(-c2ccon2)cn1 142733011 344014375 /nfs/dbraw/zinc/01/43/75/344014375.db2.gz QSFVAIGIBDQWEF-UHFFFAOYSA-N 0 0 147.137 1.132 10 0 ADAERN CC[C@H]1N[C@H](C)C(=O)N1CC(C)(C)C 142722975 344014444 /nfs/dbraw/zinc/01/44/44/344014444.db2.gz VRHRHZJRARDCIV-BDAKNGLRSA-N 0 0 198.310 1.589 10 0 ADAERN CC[C@@H]1N[C@@H](C)C(=O)N1CC(C)(C)C 142723163 344014452 /nfs/dbraw/zinc/01/44/52/344014452.db2.gz VRHRHZJRARDCIV-DTWKUNHWSA-N 0 0 198.310 1.589 10 0 ADAERN CC(C)[C@H]1NCN(CC(C)(C)C)C1=O 142760686 344014467 /nfs/dbraw/zinc/01/44/67/344014467.db2.gz QMOLKOYDVRKOJH-SECBINFHSA-N 0 0 198.310 1.446 10 0 ADAERN C/C=C/CNC(=O)CC 142797883 344014651 /nfs/dbraw/zinc/01/46/51/344014651.db2.gz PXMVIPJLQYTGDX-HWKANZROSA-N 0 0 127.187 1.089 10 0 ADAERN CC[C@H]1NCC(=O)N1CC(C)(C)C 142779552 344014656 /nfs/dbraw/zinc/01/46/56/344014656.db2.gz ZTYOIRLZYAPILJ-QMMMGPOBSA-N 0 0 184.283 1.200 10 0 ADAERN CCOC(=O)c1cc(N)c(C)c(O)c1 142807369 344014687 /nfs/dbraw/zinc/01/46/87/344014687.db2.gz MAWRVLAEEGMWEO-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN C1=C[C@@]2(CCCCO2)OCC1 142773596 344014759 /nfs/dbraw/zinc/01/47/59/344014759.db2.gz SNYOYCMJYVTWEA-SECBINFHSA-N 0 0 154.209 1.860 10 0 ADAERN CC(C)([NH3+])c1ccccc1C(=O)[O-] 142786631 344014775 /nfs/dbraw/zinc/01/47/75/344014775.db2.gz WFERMTRLYGODQL-UHFFFAOYSA-N 0 0 179.219 1.579 10 0 ADAERN Cc1ccc(-n2cc[nH]c2=O)c(F)c1 142764309 344014804 /nfs/dbraw/zinc/01/48/04/344014804.db2.gz DNNKIMJLKILZBZ-UHFFFAOYSA-N 0 0 192.193 1.613 10 0 ADAERN CC[C@@H]1NCC(=O)N1CC(C)(C)C 142779341 344014830 /nfs/dbraw/zinc/01/48/30/344014830.db2.gz ZTYOIRLZYAPILJ-MRVPVSSYSA-N 0 0 184.283 1.200 10 0 ADAERN C1=C[C@]2(CCCCO2)OCC1 142773771 344014842 /nfs/dbraw/zinc/01/48/42/344014842.db2.gz SNYOYCMJYVTWEA-VIFPVBQESA-N 0 0 154.209 1.860 10 0 ADAERN O=C(Nc1ncc[nH]1)c1nccs1 142785185 344014963 /nfs/dbraw/zinc/01/49/63/344014963.db2.gz UYJMJDSLHOPTJA-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN CCCc1ccccc(O)c1=O 142788337 344014965 /nfs/dbraw/zinc/01/49/65/344014965.db2.gz APWNJJZGTYYWJV-UHFFFAOYSA-N 0 0 164.204 1.705 10 0 ADAERN C[C@H]1CCc2nc(N)cn2C1 142835831 344015154 /nfs/dbraw/zinc/01/51/54/344015154.db2.gz BOKPOBYKKBMYEF-LURJTMIESA-N 0 0 151.213 1.048 10 0 ADAERN CCOc1ccc(N)cc1O 142873333 344015222 /nfs/dbraw/zinc/01/52/22/344015222.db2.gz KCLGEGXLEVIQOV-UHFFFAOYSA-N 0 0 153.181 1.373 10 0 ADAERN O=C(Nc1ncc[nH]1)c1ccns1 142850633 344015331 /nfs/dbraw/zinc/01/53/31/344015331.db2.gz QHSPOYVDVCQYPN-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN CC(C)CCN1C(=O)[C@H]2C[C@H]2C1=O 142866376 344015414 /nfs/dbraw/zinc/01/54/14/344015414.db2.gz UCIKXDASZBDKHL-OCAPTIKFSA-N 0 0 181.235 1.037 10 0 ADAERN Cc1cc2c(cc1F)OCCN2 142839354 344015450 /nfs/dbraw/zinc/01/54/50/344015450.db2.gz RTNQYJOHJUMZGR-UHFFFAOYSA-N 0 0 167.183 1.938 10 0 ADAERN C[C@@H]1CCc2nc(N)cn2C1 142835640 344015457 /nfs/dbraw/zinc/01/54/57/344015457.db2.gz BOKPOBYKKBMYEF-ZCFIWIBFSA-N 0 0 151.213 1.048 10 0 ADAERN O=Cc1ccc2ncc3nccn3c2c1 142899213 344015621 /nfs/dbraw/zinc/01/56/21/344015621.db2.gz PXPCERNQXDCOPZ-UHFFFAOYSA-N 0 0 197.197 1.695 10 0 ADAERN CC[C@@H](CO)[C@H]1CCOC1 142878893 344015629 /nfs/dbraw/zinc/01/56/29/344015629.db2.gz CVQPGVIPNLQWDF-YUMQZZPRSA-N 0 0 144.214 1.041 10 0 ADAERN C[C@H](O)c1cccc2c1OCCO2 142923985 344015640 /nfs/dbraw/zinc/01/56/40/344015640.db2.gz KOCIBRPCRKSEOD-ZETCQYMHSA-N 0 0 180.203 1.511 10 0 ADAERN Cc1cc(-c2nnc(N)s2)co1 142944386 344015681 /nfs/dbraw/zinc/01/56/81/344015681.db2.gz MUTUAXZIPGCVTJ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC(=O)Nc1ccc(CCCO)cc1 142931539 344015745 /nfs/dbraw/zinc/01/57/45/344015745.db2.gz CSXYPJMKMCBYDD-UHFFFAOYSA-N 0 0 193.246 1.570 10 0 ADAERN O=c1[nH]ccnc1C1CCCCC1 142919897 344015761 /nfs/dbraw/zinc/01/57/61/344015761.db2.gz MALSBQHYHIWMHJ-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN COc1cc(C)ncc1F 142882934 344015911 /nfs/dbraw/zinc/01/59/11/344015911.db2.gz YHTBVXYSPJFFMY-UHFFFAOYSA-N 0 0 141.145 1.538 10 0 ADAERN C=Cc1ccc(-c2nc(C)no2)nn1 142984015 344016045 /nfs/dbraw/zinc/01/60/45/344016045.db2.gz ULDJYCKVYBRGSE-UHFFFAOYSA-N 0 0 188.190 1.478 10 0 ADAERN CNc1cccc2c1cnn2C 143030565 344016076 /nfs/dbraw/zinc/01/60/76/344016076.db2.gz XHWKQYVYGQEQCC-UHFFFAOYSA-N 0 0 161.208 1.615 10 0 ADAERN CC(C)c1c[nH]c(=S)cn1 143013612 344016143 /nfs/dbraw/zinc/01/61/43/344016143.db2.gz WYTUWOMQYXQPEX-UHFFFAOYSA-N 0 0 154.238 1.889 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)C[C@@H](C)O1 143002492 344016166 /nfs/dbraw/zinc/01/61/66/344016166.db2.gz ZIGZRJAKMUNZSI-OCAPTIKFSA-N 0 0 181.239 1.023 10 0 ADAERN O=Cc1cccc(Cl)c1C=O 142974669 344016203 /nfs/dbraw/zinc/01/62/03/344016203.db2.gz DDZXUGMVCWOQHF-UHFFFAOYSA-N 0 0 168.579 1.965 10 0 ADAERN C[C@@H]1CN(c2ncc[nH]2)C[C@@H](C)O1 143002293 344016208 /nfs/dbraw/zinc/01/62/08/344016208.db2.gz ZIGZRJAKMUNZSI-HTQZYQBOSA-N 0 0 181.239 1.023 10 0 ADAERN CC(C)[C@H](C)[C@H]1CNC(=O)C1 142955886 344016220 /nfs/dbraw/zinc/01/62/20/344016220.db2.gz ZUUVATFHUDRRLA-JGVFFNPUSA-N 0 0 155.241 1.415 10 0 ADAERN Cc1nc(N)ncc1C(C)C 143014493 344016249 /nfs/dbraw/zinc/01/62/49/344016249.db2.gz NLTFNXNWBRJIRZ-UHFFFAOYSA-N 0 0 151.213 1.491 10 0 ADAERN C[C@@H](O)[C@H](O)c1c(F)cccc1F 142964041 344016276 /nfs/dbraw/zinc/01/62/76/344016276.db2.gz KRCSSGYHNCYFIT-ANLVUFKYSA-N 0 0 188.173 1.379 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)C[C@H](C)O1 143002728 344016314 /nfs/dbraw/zinc/01/63/14/344016314.db2.gz ZIGZRJAKMUNZSI-YUMQZZPRSA-N 0 0 181.239 1.023 10 0 ADAERN C[C@H](O)[C@H](O)c1c(F)cccc1F 142964267 344016321 /nfs/dbraw/zinc/01/63/21/344016321.db2.gz KRCSSGYHNCYFIT-CDUCUWFYSA-N 0 0 188.173 1.379 10 0 ADAERN Cc1cc2c(c(C)c1N)OCO2 142971967 344016358 /nfs/dbraw/zinc/01/63/58/344016358.db2.gz XSMGAXRDAHUPPO-UHFFFAOYSA-N 0 0 165.192 1.614 10 0 ADAERN CC(C)c1nc(F)cc(F)n1 143028475 344016365 /nfs/dbraw/zinc/01/63/65/344016365.db2.gz RIUOHZQROIVYLR-UHFFFAOYSA-N 0 0 158.151 1.878 10 0 ADAERN Cc1cc(N)nc(-c2cnn(C)c2)c1 142999569 344016409 /nfs/dbraw/zinc/01/64/09/344016409.db2.gz VBJYAKVQFDMFHP-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)[C@@H](C)[C@H]1CNC(=O)C1 142955673 344016420 /nfs/dbraw/zinc/01/64/20/344016420.db2.gz ZUUVATFHUDRRLA-HTQZYQBOSA-N 0 0 155.241 1.415 10 0 ADAERN CCOC1(OCC)CCC(O)CC1 143015677 344016424 /nfs/dbraw/zinc/01/64/24/344016424.db2.gz MMWHJAXDAJERRG-UHFFFAOYSA-N 0 0 188.267 1.691 10 0 ADAERN C[C@@H](O)[C@@H](O)c1c(F)cccc1F 142963815 344016428 /nfs/dbraw/zinc/01/64/28/344016428.db2.gz KRCSSGYHNCYFIT-MLUIRONXSA-N 0 0 188.173 1.379 10 0 ADAERN COc1cc(C)c(C)c(C(N)=O)c1 143000118 344016432 /nfs/dbraw/zinc/01/64/32/344016432.db2.gz CFOBITXDTGOKQX-UHFFFAOYSA-N 0 0 179.219 1.411 10 0 ADAERN Nc1c(F)ccc(O)c1F 143084490 344016540 /nfs/dbraw/zinc/01/65/40/344016540.db2.gz UDLOPGNVOXYHHF-UHFFFAOYSA-N 0 0 145.108 1.253 10 0 ADAERN OC1(c2cccnc2F)CCOCC1 143107442 344016564 /nfs/dbraw/zinc/01/65/64/344016564.db2.gz KBFRXFJDPRIXFV-UHFFFAOYSA-N 0 0 197.209 1.219 10 0 ADAERN NC(=O)c1c[nH]c2cccc(F)c12 143104775 344016572 /nfs/dbraw/zinc/01/65/72/344016572.db2.gz ARJWKRLOHALXEK-UHFFFAOYSA-N 0 0 178.166 1.406 10 0 ADAERN C[C@]1(c2ccccn2)CCC(=O)NC1 143038552 344016580 /nfs/dbraw/zinc/01/65/80/344016580.db2.gz NGEAAWWWXZBPDS-NSHDSACASA-N 0 0 190.246 1.249 10 0 ADAERN Nc1cnc(Cl)c([N+](=O)[O-])c1 143127893 344016592 /nfs/dbraw/zinc/01/65/92/344016592.db2.gz DVRKITMTRGSBDP-UHFFFAOYSA-N 0 0 173.559 1.225 10 0 ADAERN C[C@@]1(c2ccccn2)CCC(=O)NC1 143038716 344016603 /nfs/dbraw/zinc/01/66/03/344016603.db2.gz NGEAAWWWXZBPDS-LLVKDONJSA-N 0 0 190.246 1.249 10 0 ADAERN C=Cc1ccc([C@H](C)O)cn1 143037431 344016636 /nfs/dbraw/zinc/01/66/36/344016636.db2.gz RKYMODRJRBLAIY-ZETCQYMHSA-N 0 0 149.193 1.778 10 0 ADAERN OCC1(Nc2ccncc2Cl)CC1 143107098 344016651 /nfs/dbraw/zinc/01/66/51/344016651.db2.gz MNZOQEKMKXUWSX-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN CC(C)Nc1ccc(N)c(N)c1F 143124595 344016661 /nfs/dbraw/zinc/01/66/61/344016661.db2.gz BYQMINAJPDRMHP-UHFFFAOYSA-N 0 0 183.230 1.810 10 0 ADAERN Cc1ncncc1C(=O)C(C)C 143085858 344016686 /nfs/dbraw/zinc/01/66/86/344016686.db2.gz GRVIUFARRDUXCF-UHFFFAOYSA-N 0 0 164.208 1.624 10 0 ADAERN CO[C@H](C)[C@@](C)(O)c1ccccc1 143059718 344016711 /nfs/dbraw/zinc/01/67/11/344016711.db2.gz GPSNVSYYMQKNKC-MWLCHTKSSA-N 0 0 180.247 1.929 10 0 ADAERN C[C@@H]1COC(c2ccccc2)=N1 143130130 344016738 /nfs/dbraw/zinc/01/67/38/344016738.db2.gz LDESTFIGYTYDHH-MRVPVSSYSA-N 0 0 161.204 1.852 10 0 ADAERN COc1cc(F)c(Cl)cc1NN 143098235 344016742 /nfs/dbraw/zinc/01/67/42/344016742.db2.gz WUOVLYHBNNTFDJ-UHFFFAOYSA-N 0 0 190.605 1.773 10 0 ADAERN COC[C@H]1CC[C@@H](O)CC1 143053157 344016761 /nfs/dbraw/zinc/01/67/61/344016761.db2.gz BTCZENXSXFKVCO-ZKCHVHJHSA-N 0 0 144.214 1.184 10 0 ADAERN C=Cc1ccc([C@@H](C)O)cn1 143037213 344016769 /nfs/dbraw/zinc/01/67/69/344016769.db2.gz RKYMODRJRBLAIY-SSDOTTSWSA-N 0 0 149.193 1.778 10 0 ADAERN CC(=O)c1c(C)nn2ncccc12 143110644 344016797 /nfs/dbraw/zinc/01/67/97/344016797.db2.gz HOMNJJMKJWBJRH-UHFFFAOYSA-N 0 0 175.191 1.240 10 0 ADAERN Cc1sccc1C(N)=S 143060711 344016812 /nfs/dbraw/zinc/01/68/12/344016812.db2.gz HKQGMZWVEPCALW-UHFFFAOYSA-N 0 0 157.263 1.691 10 0 ADAERN Nc1ccn(Cc2cccc(F)n2)n1 143121712 344016827 /nfs/dbraw/zinc/01/68/27/344016827.db2.gz UQGOPAAEIIFMCA-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN C[C@H]1COC(c2ccccc2)=N1 143130355 344016836 /nfs/dbraw/zinc/01/68/36/344016836.db2.gz LDESTFIGYTYDHH-QMMMGPOBSA-N 0 0 161.204 1.852 10 0 ADAERN C[C@H](CF)N1CCC(=O)CC1 143161665 344017145 /nfs/dbraw/zinc/01/71/45/344017145.db2.gz UQLPAVWSWVEDIJ-SSDOTTSWSA-N 0 0 159.204 1.009 10 0 ADAERN C[C@@H](C(F)F)N1CCC(=O)CC1 143162144 344017152 /nfs/dbraw/zinc/01/71/52/344017152.db2.gz TTXVCLHAQPSHJR-LURJTMIESA-N 0 0 177.194 1.305 10 0 ADAERN N#CCn1ccc(Br)n1 143168598 344017203 /nfs/dbraw/zinc/01/72/03/344017203.db2.gz MBGJQVXRVKGADC-UHFFFAOYSA-N 0 0 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CCC[C@@H](C)[C@@H]1CNC(=O)C1 143695600 344021484 /nfs/dbraw/zinc/02/14/84/344021484.db2.gz NYGRCWQBJRHGQU-SFYZADRCSA-N 0 0 155.241 1.559 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1[C@H]1CC1(C)C 143713186 344021505 /nfs/dbraw/zinc/02/15/05/344021505.db2.gz LEQIMYLFRKXBOL-WCBMZHEXSA-N 0 0 196.294 1.199 10 0 ADAERN COC(=O)c1c(C)cc(OC)cc1N 143722239 344021508 /nfs/dbraw/zinc/02/15/08/344021508.db2.gz MGCZPFCMLSOEHC-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN O=C(CCl)[C@H]1C[C@@H]2C[C@@H]2C1 143683177 344021514 /nfs/dbraw/zinc/02/15/14/344021514.db2.gz ANUJRFPRHIVQPH-KVSKUHBBSA-N 0 0 158.628 1.840 10 0 ADAERN COc1c(F)cc(Cl)cc1CO 143693281 344021527 /nfs/dbraw/zinc/02/15/27/344021527.db2.gz UJYOZFPIJVEWQW-UHFFFAOYSA-N 0 0 190.601 1.980 10 0 ADAERN CCOc1c(O)cncc1F 143673597 344021560 /nfs/dbraw/zinc/02/15/60/344021560.db2.gz QGEXVKYRLZJYOE-UHFFFAOYSA-N 0 0 157.144 1.325 10 0 ADAERN CC/C=C/C(=O)NC(C)(C)C 143665629 344021579 /nfs/dbraw/zinc/02/15/79/344021579.db2.gz RRJNCTJKPVXBDX-VOTSOKGWSA-N 0 0 155.241 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143787464 344022084 /nfs/dbraw/zinc/02/20/84/344022084.db2.gz DXJCYNHZIWDICD-IUCAKERBSA-N 0 0 184.283 1.199 10 0 ADAERN C[C@@H](c1ccccn1)n1cc(N)cn1 143754638 344022094 /nfs/dbraw/zinc/02/20/94/344022094.db2.gz JWNSMEFAZCGTEX-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN O=C1CC[C@]2(CCOC2)C1 143792843 344022097 /nfs/dbraw/zinc/02/20/97/344022097.db2.gz OPNVEXLSTZCUOM-QMMMGPOBSA-N 0 0 140.182 1.146 10 0 ADAERN CN1CCC[C@@H]1c1ncccn1 143783024 344022140 /nfs/dbraw/zinc/02/21/40/344022140.db2.gz NWBGUOKOXKOSJX-MRVPVSSYSA-N 0 0 163.224 1.243 10 0 ADAERN Cc1ccc2c(=O)n(C)ncc2c1 143805408 344022149 /nfs/dbraw/zinc/02/21/49/344022149.db2.gz WKSRCMOCOMBWAM-UHFFFAOYSA-N 0 0 174.203 1.242 10 0 ADAERN COC(=O)C1(C(C)C)CC1 143843673 344022365 /nfs/dbraw/zinc/02/23/65/344022365.db2.gz VYOCCJUMOISJKK-UHFFFAOYSA-N 0 0 142.198 1.596 10 0 ADAERN CSc1ccncc1C[NH3+] 143838233 344022423 /nfs/dbraw/zinc/02/24/23/344022423.db2.gz MKHFYUXPJAUSMJ-UHFFFAOYSA-N 0 0 154.238 1.262 10 0 ADAERN CC(=O)c1cnc2[n-][nH+]ccc1-2 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344023849 /nfs/dbraw/zinc/02/38/49/344023849.db2.gz KTFZMGLSKQOELA-UHFFFAOYSA-N 0 0 183.251 1.331 10 0 ADAERN Cc1cc(C(=O)NC2CC2)cs1 144058557 344023875 /nfs/dbraw/zinc/02/38/75/344023875.db2.gz LSLMHIBDLFWZNE-UHFFFAOYSA-N 0 0 181.260 1.949 10 0 ADAERN C[C@@H](c1nccs1)n1cc(N)cn1 144078260 344023907 /nfs/dbraw/zinc/02/39/07/344023907.db2.gz XUFGSMOFWKAELZ-LURJTMIESA-N 0 0 194.263 1.531 10 0 ADAERN C[C@H](c1ncco1)n1cc(N)cn1 144064640 344023918 /nfs/dbraw/zinc/02/39/18/344023918.db2.gz HOULYIUNAMRWJN-ZCFIWIBFSA-N 0 0 178.195 1.063 10 0 ADAERN C[C@H](c1nccs1)n1cc(N)cn1 144078080 344023967 /nfs/dbraw/zinc/02/39/67/344023967.db2.gz XUFGSMOFWKAELZ-ZCFIWIBFSA-N 0 0 194.263 1.531 10 0 ADAERN CCNC(=O)c1csc(C)c1 144031008 344024041 /nfs/dbraw/zinc/02/40/41/344024041.db2.gz PWHSGJZPLHSFGK-UHFFFAOYSA-N 0 0 169.249 1.806 10 0 ADAERN C=Cc1ccc(N2CCCC2)nn1 144067317 344024069 /nfs/dbraw/zinc/02/40/69/344024069.db2.gz ITGABPDAWPJAMO-UHFFFAOYSA-N 0 0 175.235 1.720 10 0 ADAERN Cc1cocc1-c1nnc(N)s1 144027417 344024096 /nfs/dbraw/zinc/02/40/96/344024096.db2.gz YTDDUKKZRIMDJN-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN OCc1cscc1Cl 144059093 344024104 /nfs/dbraw/zinc/02/41/04/344024104.db2.gz BMINNRXCTLTCFD-UHFFFAOYSA-N 0 0 148.614 1.894 10 0 ADAERN CNc1ccc(Cl)nc1N 144055989 344024123 /nfs/dbraw/zinc/02/41/23/344024123.db2.gz KFRJAJZUIPZDSA-UHFFFAOYSA-N 0 0 157.604 1.359 10 0 ADAERN CNC(=O)c1csc(C)c1 144028555 344024182 /nfs/dbraw/zinc/02/41/82/344024182.db2.gz SEKVZLNCOGRUOL-UHFFFAOYSA-N 0 0 155.222 1.416 10 0 ADAERN COC(=O)CCc1c[nH]nc1C(C)C 144074575 344024216 /nfs/dbraw/zinc/02/42/16/344024216.db2.gz MTZTZADYYSOZCR-UHFFFAOYSA-N 0 0 196.250 1.639 10 0 ADAERN O=C(c1cncs1)C(F)(F)F 144151856 344024372 /nfs/dbraw/zinc/02/43/72/344024372.db2.gz LLAFJJGGGUQTLS-UHFFFAOYSA-N 0 0 181.138 1.888 10 0 ADAERN CCOC(=O)c1nc(C2CC2)[nH]c1C 144143250 344024397 /nfs/dbraw/zinc/02/43/97/344024397.db2.gz ITODFXSXGQGKJZ-UHFFFAOYSA-N 0 0 194.234 1.772 10 0 ADAERN COc1ccc(N2CCCC2)nc1 144137374 344024403 /nfs/dbraw/zinc/02/44/03/344024403.db2.gz UQOQJHGKWYKDIF-UHFFFAOYSA-N 0 0 178.235 1.690 10 0 ADAERN Nc1cccc(-n2ccc(=O)[nH]2)c1 144098158 344024418 /nfs/dbraw/zinc/02/44/18/344024418.db2.gz YJUMIGQEILXUHF-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN CNc1nccc(CSC)n1 144090667 344024427 /nfs/dbraw/zinc/02/44/27/344024427.db2.gz OIMARWNTUBEOEY-UHFFFAOYSA-N 0 0 169.253 1.381 10 0 ADAERN CC(=O)N[C@@H]1CCNc2ccccc21 144150436 344024490 /nfs/dbraw/zinc/02/44/90/344024490.db2.gz DHZVKYWOMVIBTO-LLVKDONJSA-N 0 0 190.246 1.679 10 0 ADAERN NC(=O)OCCOc1ccccc1 144097018 344024494 /nfs/dbraw/zinc/02/44/94/344024494.db2.gz SCXNMNFDIXUCMH-UHFFFAOYSA-N 0 0 181.191 1.161 10 0 ADAERN N#CNc1ccccc1O 144119010 344024537 /nfs/dbraw/zinc/02/45/37/344024537.db2.gz DVCKODWLPUTCFP-UHFFFAOYSA-N 0 0 134.138 1.285 10 0 ADAERN C=Cc1ccc(=O)n(C2CC2)n1 144102623 344024584 /nfs/dbraw/zinc/02/45/84/344024584.db2.gz TZSWJXMYSUNORZ-UHFFFAOYSA-N 0 0 162.192 1.221 10 0 ADAERN C=Cc1ccn(C)c(=O)c1 144104383 344024672 /nfs/dbraw/zinc/02/46/72/344024672.db2.gz IDYIVSXEKWCBBW-UHFFFAOYSA-N 0 0 135.166 1.028 10 0 ADAERN Oc1cn2ccsc2n1 144109557 344024742 /nfs/dbraw/zinc/02/47/42/344024742.db2.gz OUSHBZUDJDJZEF-UHFFFAOYSA-N 0 0 140.167 1.101 10 0 ADAERN CC(=O)N[C@H]1CCNc2ccccc21 144150622 344024746 /nfs/dbraw/zinc/02/47/46/344024746.db2.gz DHZVKYWOMVIBTO-NSHDSACASA-N 0 0 190.246 1.679 10 0 ADAERN C=Cc1ccc(O)cn1 144110039 344024760 /nfs/dbraw/zinc/02/47/60/344024760.db2.gz FVITVSKDIJQCBS-UHFFFAOYSA-N 0 0 121.139 1.430 10 0 ADAERN CCOc1cc(C(=O)NC)ccc1C 144194310 344025045 /nfs/dbraw/zinc/02/50/45/344025045.db2.gz KKFDCEKDRVECGB-UHFFFAOYSA-N 0 0 193.246 1.753 10 0 ADAERN C[C@@H](c1cncs1)n1cc(N)cn1 144219501 344025145 /nfs/dbraw/zinc/02/51/45/344025145.db2.gz OSGAEIBABNONSQ-LURJTMIESA-N 0 0 194.263 1.531 10 0 ADAERN C[C@H](c1cncs1)n1cc(N)cn1 144219319 344025245 /nfs/dbraw/zinc/02/52/45/344025245.db2.gz OSGAEIBABNONSQ-ZCFIWIBFSA-N 0 0 194.263 1.531 10 0 ADAERN COCCCNc1ccccc1CO 144221119 344025254 /nfs/dbraw/zinc/02/52/54/344025254.db2.gz BRASPFMQZRDNHI-UHFFFAOYSA-N 0 0 195.262 1.627 10 0 ADAERN C[C@@H](O)c1ccsn1 144289054 344025518 /nfs/dbraw/zinc/02/55/18/344025518.db2.gz BJVKDXLSEMDAHR-SCSAIBSYSA-N 0 0 129.184 1.196 10 0 ADAERN c1nc(NCC2CC2)c[nH]1 144284202 344025521 /nfs/dbraw/zinc/02/55/21/344025521.db2.gz HJWBDPHKPQHHQQ-UHFFFAOYSA-N 0 0 137.186 1.232 10 0 ADAERN C[C@H](O)c1ccsn1 144288840 344025556 /nfs/dbraw/zinc/02/55/56/344025556.db2.gz BJVKDXLSEMDAHR-BYPYZUCNSA-N 0 0 129.184 1.196 10 0 ADAERN N#C[C@@]1(C2CC2)CCCN1 144278692 344025599 /nfs/dbraw/zinc/02/55/99/344025599.db2.gz OYXDIAOANABRPU-MRVPVSSYSA-N 0 0 136.198 1.042 10 0 ADAERN CC(C)Oc1ncc[nH]1 144262158 344025605 /nfs/dbraw/zinc/02/56/05/344025605.db2.gz UCSZLDZLSPWCNN-UHFFFAOYSA-N 0 0 126.159 1.197 10 0 ADAERN Cc1ccnc2c1NCC2 144274122 344025654 /nfs/dbraw/zinc/02/56/54/344025654.db2.gz NNABEBVUYQHOMD-UHFFFAOYSA-N 0 0 134.182 1.358 10 0 ADAERN Cc1ccnc(N2CCCCC2)n1 144249006 344025699 /nfs/dbraw/zinc/02/56/99/344025699.db2.gz GHAAZXDDKUBIKD-UHFFFAOYSA-N 0 0 177.251 1.775 10 0 ADAERN O=C1OCCc2ccc(F)cc21 144287966 344025726 /nfs/dbraw/zinc/02/57/26/344025726.db2.gz HXVLRASOFGXUDD-UHFFFAOYSA-N 0 0 166.151 1.539 10 0 ADAERN CCNc1cc(Cl)ncc1N 144278329 344025747 /nfs/dbraw/zinc/02/57/47/344025747.db2.gz HQTXZZUNAHIRTQ-UHFFFAOYSA-N 0 0 171.631 1.749 10 0 ADAERN Cc1ncc(-c2cc[nH]n2)s1 144291195 344025761 /nfs/dbraw/zinc/02/57/61/344025761.db2.gz ZEJHDSRKHPOHNB-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN CCc1cc2c(cc1O)OC(=O)CC2 144237960 344025831 /nfs/dbraw/zinc/02/58/31/344025831.db2.gz RFABWMQMLCRBET-UHFFFAOYSA-N 0 0 192.214 1.806 10 0 ADAERN N#C[C@]1(C2CC2)CCCN1 144278492 344025853 /nfs/dbraw/zinc/02/58/53/344025853.db2.gz OYXDIAOANABRPU-QMMMGPOBSA-N 0 0 136.198 1.042 10 0 ADAERN Cc1nc2cccc(Cl)c2[nH]c1=O 144231397 344025869 /nfs/dbraw/zinc/02/58/69/344025869.db2.gz ZBXZRPSWDYVWGF-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN Cc1ccccc1C(=O)OCCO 144269263 344025872 /nfs/dbraw/zinc/02/58/72/344025872.db2.gz GZDDGNAMIABLRN-UHFFFAOYSA-N 0 0 180.203 1.144 10 0 ADAERN Cc1ccc(F)c(F)c1O 144284730 344025905 /nfs/dbraw/zinc/02/59/05/344025905.db2.gz CFWXGLRIMOOKRF-UHFFFAOYSA-N 0 0 144.120 1.979 10 0 ADAERN Cn1cncc1[C@H]1CCCC[C@@H]1O 144340680 344026038 /nfs/dbraw/zinc/02/60/38/344026038.db2.gz IMZIABMVYSAOMA-SCZZXKLOSA-N 0 0 180.251 1.439 10 0 ADAERN CCCCn1cc(C)nn1 144329746 344026056 /nfs/dbraw/zinc/02/60/56/344026056.db2.gz MYLJNRLZLNTTMH-UHFFFAOYSA-N 0 0 139.202 1.387 10 0 ADAERN O=C1CSC(CC(F)(F)F)=N1 144354594 344026061 /nfs/dbraw/zinc/02/60/61/344026061.db2.gz IVOPHSUDSQNKGG-UHFFFAOYSA-N 0 0 183.154 1.954 10 0 ADAERN Cn1cncc1[C@H]1CCCC[C@H]1O 144341094 344026098 /nfs/dbraw/zinc/02/60/98/344026098.db2.gz IMZIABMVYSAOMA-PSASIEDQSA-N 0 0 180.251 1.439 10 0 ADAERN Cn1cncc1[C@@H]1CCCC[C@@H]1O 144340452 344026206 /nfs/dbraw/zinc/02/62/06/344026206.db2.gz IMZIABMVYSAOMA-WPRPVWTQSA-N 0 0 180.251 1.439 10 0 ADAERN COc1ccn2cc(C(C)C)nc2n1 144344791 344026227 /nfs/dbraw/zinc/02/62/27/344026227.db2.gz RXIXMXHCFNQXEL-UHFFFAOYSA-N 0 0 191.234 1.861 10 0 ADAERN Cn1cncc1[C@@H]1CCCC[C@H]1O 144340882 344026263 /nfs/dbraw/zinc/02/62/63/344026263.db2.gz IMZIABMVYSAOMA-WCBMZHEXSA-N 0 0 180.251 1.439 10 0 ADAERN CC(C)(O)C(=O)c1ccsc1 144332738 344026270 /nfs/dbraw/zinc/02/62/70/344026270.db2.gz PPSGBFWQFXTNMP-UHFFFAOYSA-N 0 0 170.233 1.702 10 0 ADAERN CCOc1ncc(C)cc1OC 144334935 344026311 /nfs/dbraw/zinc/02/63/11/344026311.db2.gz LPZFOIUDUHUXTL-UHFFFAOYSA-N 0 0 167.208 1.797 10 0 ADAERN CCOCc1nc(C)cs1 144345444 344026338 /nfs/dbraw/zinc/02/63/38/344026338.db2.gz RPDVMQJQLGPCRV-UHFFFAOYSA-N 0 0 157.238 1.988 10 0 ADAERN O=C1CC2(CCCC2)CCO1 144342399 344026362 /nfs/dbraw/zinc/02/63/62/344026362.db2.gz UPAWMZMKVKJMLN-UHFFFAOYSA-N 0 0 154.209 1.884 10 0 ADAERN CC(C)[C@H](C)NC(=O)N1CCC1 144322338 344026365 /nfs/dbraw/zinc/02/63/65/344026365.db2.gz AZSNFKNVPDONRM-QMMMGPOBSA-N 0 0 170.256 1.446 10 0 ADAERN CC(C)[C@]1(C#N)CCCN1 144427477 344026545 /nfs/dbraw/zinc/02/65/45/344026545.db2.gz MGCXPWYOFBOJHC-MRVPVSSYSA-N 0 0 138.214 1.288 10 0 ADAERN CC(C)[C@@]1(C#N)CCCN1 144427658 344026562 /nfs/dbraw/zinc/02/65/62/344026562.db2.gz MGCXPWYOFBOJHC-QMMMGPOBSA-N 0 0 138.214 1.288 10 0 ADAERN CCCC[C@]1(C#N)CCCN1 144378719 344026573 /nfs/dbraw/zinc/02/65/73/344026573.db2.gz QVUCAVBDWPDVPB-SECBINFHSA-N 0 0 152.241 1.822 10 0 ADAERN CNc1cc2c(cn1)ncn2C 144382455 344026576 /nfs/dbraw/zinc/02/65/76/344026576.db2.gz ASUBXUSWHXYVGF-UHFFFAOYSA-N 0 0 162.196 1.010 10 0 ADAERN CCCC[C@@]1(C#N)CCCN1 144378884 344026590 /nfs/dbraw/zinc/02/65/90/344026590.db2.gz QVUCAVBDWPDVPB-VIFPVBQESA-N 0 0 152.241 1.822 10 0 ADAERN COC(=O)/C=C(/C)Cl 144399957 344026629 /nfs/dbraw/zinc/02/66/29/344026629.db2.gz NQMWPCBPCHDUBG-ARJAWSKDSA-N 0 0 134.562 1.302 10 0 ADAERN Cc1c(N)ccc(F)c1N 144402518 344026661 /nfs/dbraw/zinc/02/66/61/344026661.db2.gz VMECOECMRRQLIN-UHFFFAOYSA-N 0 0 140.161 1.299 10 0 ADAERN Cc1ccsc1C(=O)C=O 144370139 344026672 /nfs/dbraw/zinc/02/66/72/344026672.db2.gz QAGGWJINWOPLQB-UHFFFAOYSA-N 0 0 154.190 1.438 10 0 ADAERN CCOc1cc(C)nc(N(C)C)n1 144401089 344026673 /nfs/dbraw/zinc/02/66/73/344026673.db2.gz OGGRGDFQRCZMKS-UHFFFAOYSA-N 0 0 181.239 1.250 10 0 ADAERN C=CC[C@]1(C#N)CCCN1 144387731 344026689 /nfs/dbraw/zinc/02/66/89/344026689.db2.gz MHSQBUQVVATWRF-MRVPVSSYSA-N 0 0 136.198 1.208 10 0 ADAERN CCc1ccc(C)c(S(N)(=O)=O)c1 144375441 344026697 /nfs/dbraw/zinc/02/66/97/344026697.db2.gz OGYBZMNIZMOXAP-UHFFFAOYSA-N 0 0 199.275 1.205 10 0 ADAERN CCCN(C(=O)CCCOC)C1CC1 144387691 344026711 /nfs/dbraw/zinc/02/67/11/344026711.db2.gz GSPUJSUWAWISLF-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN C=CC[C@@]1(C#N)CCCN1 144387944 344026722 /nfs/dbraw/zinc/02/67/22/344026722.db2.gz MHSQBUQVVATWRF-QMMMGPOBSA-N 0 0 136.198 1.208 10 0 ADAERN O=Cc1cccc(N2CCCC2=O)c1 144393307 344026745 /nfs/dbraw/zinc/02/67/45/344026745.db2.gz AIZITBMNJYLIQF-UHFFFAOYSA-N 0 0 189.214 1.626 10 0 ADAERN COCc1cn2cccc(OC)c2n1 144387238 344026791 /nfs/dbraw/zinc/02/67/91/344026791.db2.gz YRIQZXHHHBPSAU-UHFFFAOYSA-N 0 0 192.218 1.489 10 0 ADAERN CON(C)CC(F)(F)F 144483084 344027005 /nfs/dbraw/zinc/02/70/05/344027005.db2.gz OYZYDBYXRBZHNA-UHFFFAOYSA-N 0 0 143.108 1.042 10 0 ADAERN CC[C@@H](C)[C@@H]1CCCNC1=O 144435788 344027012 /nfs/dbraw/zinc/02/70/12/344027012.db2.gz VUIOGMBWDDYWJZ-SFYZADRCSA-N 0 0 155.241 1.559 10 0 ADAERN CC[C@H](C)[C@@H]1CCCNC1=O 144435976 344027029 /nfs/dbraw/zinc/02/70/29/344027029.db2.gz VUIOGMBWDDYWJZ-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN CC[C@H](C)[C@H]1CCCNC1=O 144436366 344027138 /nfs/dbraw/zinc/02/71/38/344027138.db2.gz VUIOGMBWDDYWJZ-JGVFFNPUSA-N 0 0 155.241 1.559 10 0 ADAERN Cc1nccn2cc(C3CC3)nc12 144437009 344027143 /nfs/dbraw/zinc/02/71/43/344027143.db2.gz IWSXWXMYYJGHMC-UHFFFAOYSA-N 0 0 173.219 1.915 10 0 ADAERN O=c1scnn1Cc1ccccc1 144458041 344027248 /nfs/dbraw/zinc/02/72/48/344027248.db2.gz FLNANHAPUUQTIM-UHFFFAOYSA-N 0 0 192.243 1.353 10 0 ADAERN C/C=C/CC(=O)NC(C)C 144446863 344027154 /nfs/dbraw/zinc/02/71/54/344027154.db2.gz ALLDCPWQVHLOBW-SNAWJCMRSA-N 0 0 141.214 1.477 10 0 ADAERN OCC(F)(F)CO[C@@H]1CCCCO1 144437995 344027177 /nfs/dbraw/zinc/02/71/77/344027177.db2.gz AVOFBNFNJLCULV-SSDOTTSWSA-N 0 0 196.193 1.157 10 0 ADAERN OCC(F)(F)CO[C@H]1CCCCO1 144438199 344027182 /nfs/dbraw/zinc/02/71/82/344027182.db2.gz AVOFBNFNJLCULV-ZETCQYMHSA-N 0 0 196.193 1.157 10 0 ADAERN c1cnc2nc(C3CC3)cn2c1 144437871 344027184 /nfs/dbraw/zinc/02/71/84/344027184.db2.gz LYQSKAJZDSVMPO-UHFFFAOYSA-N 0 0 159.192 1.607 10 0 ADAERN COc1cnc2ccc(C=O)cc2n1 144476673 344027199 /nfs/dbraw/zinc/02/71/99/344027199.db2.gz BYOYSHABDCZZAO-UHFFFAOYSA-N 0 0 188.186 1.451 10 0 ADAERN CC[C@@H](C)[C@H]1CCCNC1=O 144436166 344027250 /nfs/dbraw/zinc/02/72/50/344027250.db2.gz VUIOGMBWDDYWJZ-HTQZYQBOSA-N 0 0 155.241 1.559 10 0 ADAERN COC(=O)c1nc(C2CC2)ccc1N 144495845 344027394 /nfs/dbraw/zinc/02/73/94/344027394.db2.gz PHGPFVSFVMNODJ-UHFFFAOYSA-N 0 0 192.218 1.328 10 0 ADAERN CC[C@@H]1C=C(C(=O)OC)CC1 144545197 344027435 /nfs/dbraw/zinc/02/74/35/344027435.db2.gz BMWWPLVGINGMTN-ZETCQYMHSA-N 0 0 154.209 1.906 10 0 ADAERN CC[C@H]1C=C(C(=O)OC)CC1 144544997 344027526 /nfs/dbraw/zinc/02/75/26/344027526.db2.gz BMWWPLVGINGMTN-SSDOTTSWSA-N 0 0 154.209 1.906 10 0 ADAERN CCc1cccc(N)c1OC 144510511 344027556 /nfs/dbraw/zinc/02/75/56/344027556.db2.gz XTFYPNHCQILMKR-UHFFFAOYSA-N 0 0 151.209 1.840 10 0 ADAERN CC(C)(C)Nc1ncccn1 144524771 344027573 /nfs/dbraw/zinc/02/75/73/344027573.db2.gz RLESKUICFPMLGY-UHFFFAOYSA-N 0 0 151.213 1.687 10 0 ADAERN CC/C=C/C(=O)NCC 144552124 344027623 /nfs/dbraw/zinc/02/76/23/344027623.db2.gz GPOXWKRKVUMBRO-AATRIKPKSA-N 0 0 127.187 1.089 10 0 ADAERN COc1cc(C(C)=O)nc(Cl)n1 144536062 344027652 /nfs/dbraw/zinc/02/76/52/344027652.db2.gz NSQRKVCKQARERN-UHFFFAOYSA-N 0 0 186.598 1.341 10 0 ADAERN COc1cc(OC)c(O)cc1C 144542218 344027668 /nfs/dbraw/zinc/02/76/68/344027668.db2.gz DGNUEAQKPQKCCI-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN c1c[nH]c(-c2noc(C3CC3)n2)n1 144506762 344027678 /nfs/dbraw/zinc/02/76/78/344027678.db2.gz BQKNCOPTKVKHIP-UHFFFAOYSA-N 0 0 176.179 1.337 10 0 ADAERN Cn1cc(-c2cnc3[nH]ccc3n2)cn1 144523634 344027686 /nfs/dbraw/zinc/02/76/86/344027686.db2.gz QCROAGMDACCZIG-UHFFFAOYSA-N 0 0 199.217 1.358 10 0 ADAERN Cc1cnc(N2CCCCC2)nc1 144518111 344027700 /nfs/dbraw/zinc/02/77/00/344027700.db2.gz BSISCMKMMFLRCW-UHFFFAOYSA-N 0 0 177.251 1.775 10 0 ADAERN Cc1c(O)cc(N)cc1Cl 144553876 344027721 /nfs/dbraw/zinc/02/77/21/344027721.db2.gz XFQLFBWJBUAHHV-UHFFFAOYSA-N 0 0 157.600 1.936 10 0 ADAERN O=C(C(F)F)C1CC1 156186443 344081831 /nfs/dbraw/zinc/08/18/31/344081831.db2.gz BPWOKHGJQJUIBL-UHFFFAOYSA-N 0 0 120.098 1.231 10 0 ADAERN CC[C@H]1C[C@H](O)CCCO1 144588034 344027828 /nfs/dbraw/zinc/02/78/28/344027828.db2.gz RMWJLCPZLMHOBY-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CNC(=O)[C@@H]1CCCC[C@H]1C 144610682 344027844 /nfs/dbraw/zinc/02/78/44/344027844.db2.gz HRKCJVJYCVKCOB-HTQZYQBOSA-N 0 0 155.241 1.559 10 0 ADAERN Cc1ccnn1CC1(O)CCCCC1 144563871 344027863 /nfs/dbraw/zinc/02/78/63/344027863.db2.gz LHGDDERJPJIEDL-UHFFFAOYSA-N 0 0 194.278 1.887 10 0 ADAERN C[C@@]12CC=C[C@@H]1OC(=O)C2 144618390 344027909 /nfs/dbraw/zinc/02/79/09/344027909.db2.gz ISSZNLGDRGPXRE-XPUUQOCRSA-N 0 0 138.166 1.268 10 0 ADAERN NC(=S)c1cncc(Cl)c1 144624765 344027959 /nfs/dbraw/zinc/02/79/59/344027959.db2.gz XIFRPSFRLOAZKR-UHFFFAOYSA-N 0 0 172.640 1.369 10 0 ADAERN CNC(=O)[C@H]1CCCC[C@H]1C 144610294 344028027 /nfs/dbraw/zinc/02/80/27/344028027.db2.gz HRKCJVJYCVKCOB-SFYZADRCSA-N 0 0 155.241 1.559 10 0 ADAERN COC(=O)C1(c2ccccc2O)CC1 144574301 344028030 /nfs/dbraw/zinc/02/80/30/344028030.db2.gz VWMXGEZMKAGKRW-UHFFFAOYSA-N 0 0 192.214 1.597 10 0 ADAERN COc1cc(OC)c(F)cn1 144592574 344028087 /nfs/dbraw/zinc/02/80/87/344028087.db2.gz GZVZHEQUEIUHQO-UHFFFAOYSA-N 0 0 157.144 1.238 10 0 ADAERN CSc1cnc(C=O)c(Cl)n1 144569441 344028039 /nfs/dbraw/zinc/02/80/39/344028039.db2.gz BARYVAMAJXTDCJ-UHFFFAOYSA-N 0 0 188.639 1.664 10 0 ADAERN CNC(=O)[C@H]1CCCC[C@@H]1C 144610493 344028084 /nfs/dbraw/zinc/02/80/84/344028084.db2.gz HRKCJVJYCVKCOB-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN COC(=O)Cc1cccc(C(N)=O)c1 144588084 344028089 /nfs/dbraw/zinc/02/80/89/344028089.db2.gz CQAHFOQFOAVOOO-UHFFFAOYSA-N 0 0 193.202 1.285 10 0 ADAERN O=C1CSC(C(F)(F)F)=N1 144574074 344028104 /nfs/dbraw/zinc/02/81/04/344028104.db2.gz AJDLWOWHUZBNHF-UHFFFAOYSA-N 0 0 169.127 1.868 10 0 ADAERN N#CN1CCC(C(F)(F)F)CC1 144600768 344028115 /nfs/dbraw/zinc/02/81/15/344028115.db2.gz QETXOGIHDUPEOL-UHFFFAOYSA-N 0 0 178.157 1.742 10 0 ADAERN CNC(=O)[C@@H]1CCCC[C@@H]1C 144610887 344028138 /nfs/dbraw/zinc/02/81/38/344028138.db2.gz HRKCJVJYCVKCOB-JGVFFNPUSA-N 0 0 155.241 1.559 10 0 ADAERN C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](O2)O3 144590283 344028176 /nfs/dbraw/zinc/02/81/76/344028176.db2.gz FDGDVYKHAJJROE-KVFPUHGPSA-N 0 0 140.182 1.300 10 0 ADAERN CCOC(=O)CC(C)C 144599961 344028180 /nfs/dbraw/zinc/02/81/80/344028180.db2.gz SYFRSBXYKUOYOS-UHFFFAOYSA-N 0 0 129.179 1.410 10 0 ADAERN CCOC(=O)Cc1ccc(O)cc1C 144639738 344028298 /nfs/dbraw/zinc/02/82/98/344028298.db2.gz POHQNGDZFALMAO-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN CN(C)NCCc1ccccc1 144632620 344028338 /nfs/dbraw/zinc/02/83/38/344028338.db2.gz QGOLVPSQZRBQFZ-UHFFFAOYSA-N 0 0 164.252 1.295 10 0 ADAERN COc1nc(C)cc(C)c1C=O 144660366 344028344 /nfs/dbraw/zinc/02/83/44/344028344.db2.gz JHPWMFJRFGXWDT-UHFFFAOYSA-N 0 0 165.192 1.520 10 0 ADAERN C[C@H]([NH3+])Cc1ccc(CC(=O)[O-])cc1 144661270 344028391 /nfs/dbraw/zinc/02/83/91/344028391.db2.gz KBGJUDDXIUJTIE-QMMMGPOBSA-N 0 0 193.246 1.203 10 0 ADAERN COC[C@@H]1Cc2cc(C)cc(N)c2O1 144635137 344028482 /nfs/dbraw/zinc/02/84/82/344028482.db2.gz BWSUSCLBSXDPDR-VIFPVBQESA-N 0 0 193.246 1.527 10 0 ADAERN CCc1cc(N)cc(OC)c1 144679659 344028518 /nfs/dbraw/zinc/02/85/18/344028518.db2.gz RDGRQGHXAZQTQM-UHFFFAOYSA-N 0 0 151.209 1.840 10 0 ADAERN COC[C@H]1Cc2cc(C)cc(N)c2O1 144635360 344028527 /nfs/dbraw/zinc/02/85/27/344028527.db2.gz BWSUSCLBSXDPDR-SECBINFHSA-N 0 0 193.246 1.527 10 0 ADAERN C[C@@H]([NH3+])Cc1ccc(CC(=O)[O-])cc1 144661070 344028534 /nfs/dbraw/zinc/02/85/34/344028534.db2.gz KBGJUDDXIUJTIE-MRVPVSSYSA-N 0 0 193.246 1.203 10 0 ADAERN Cc1ccc(OC(N)=O)cc1N 144629745 344028595 /nfs/dbraw/zinc/02/85/95/344028595.db2.gz SLFUIYHYRBRQPO-UHFFFAOYSA-N 0 0 166.180 1.035 10 0 ADAERN CCCC[C@H]1CNC(=S)N1 145041677 344030672 /nfs/dbraw/zinc/03/06/72/344030672.db2.gz JIWZCQHOCVKSLU-LURJTMIESA-N 0 0 158.270 1.023 10 0 ADAERN C1O[C@@H](C2CC2)C[C@H]2CON=C12 144739194 344028819 /nfs/dbraw/zinc/02/88/19/344028819.db2.gz STAYBCAOJDIOOP-IONNQARKSA-N 0 0 167.208 1.188 10 0 ADAERN Cc1cc(F)nc(C2CC2)n1 144727087 344028855 /nfs/dbraw/zinc/02/88/55/344028855.db2.gz LYLHEIHMAFLZEX-UHFFFAOYSA-N 0 0 152.172 1.802 10 0 ADAERN O=Cc1cc2cccnc2cc1C=O 144712684 344028871 /nfs/dbraw/zinc/02/88/71/344028871.db2.gz ZOLGLOZMTKQYOW-UHFFFAOYSA-N 0 0 185.182 1.860 10 0 ADAERN C[C@H](c1ccccc1)[C@](C)(O)C(N)=O 144742017 344028922 /nfs/dbraw/zinc/02/89/22/344028922.db2.gz HWPHNPIOOFHNMA-KCJUWKMLSA-N 0 0 193.246 1.026 10 0 ADAERN c1nnc(N2CCSCC2)s1 144733070 344028927 /nfs/dbraw/zinc/02/89/27/344028927.db2.gz AVFUJMPRMWCWSI-UHFFFAOYSA-N 0 0 187.293 1.091 10 0 ADAERN CCOC[C@H](O)C(F)(F)Cl 156645311 344093219 /nfs/dbraw/zinc/09/32/19/344093219.db2.gz TUKITNIJWODESE-BYPYZUCNSA-N 0 0 174.574 1.215 10 0 ADAERN C[C@@H](c1ccccc1)[C@](C)(O)C(N)=O 144741820 344028993 /nfs/dbraw/zinc/02/89/93/344028993.db2.gz HWPHNPIOOFHNMA-KWQFWETISA-N 0 0 193.246 1.026 10 0 ADAERN C[C@H](c1ccccc1)[C@@](C)(O)C(N)=O 144741651 344029008 /nfs/dbraw/zinc/02/90/08/344029008.db2.gz HWPHNPIOOFHNMA-LDYMZIIASA-N 0 0 193.246 1.026 10 0 ADAERN COC(=O)c1ccc(CO)c(C)c1 144742324 344029014 /nfs/dbraw/zinc/02/90/14/344029014.db2.gz GPGKTIZFVDEARF-UHFFFAOYSA-N 0 0 180.203 1.274 10 0 ADAERN Cc1cc(-c2nnc(C)o2)c(C)[nH]1 144709490 344029040 /nfs/dbraw/zinc/02/90/40/344029040.db2.gz NZEGZOLHAOVHLY-UHFFFAOYSA-N 0 0 177.207 1.990 10 0 ADAERN CC1(C)CN(C=O)c2ccccc21 144701548 344029095 /nfs/dbraw/zinc/02/90/95/344029095.db2.gz VQAUZVOMRVFVKZ-UHFFFAOYSA-N 0 0 175.231 1.941 10 0 ADAERN C[C@@H](c1ccccc1)[C@@](C)(O)C(N)=O 144741401 344029114 /nfs/dbraw/zinc/02/91/14/344029114.db2.gz HWPHNPIOOFHNMA-GZMMTYOYSA-N 0 0 193.246 1.026 10 0 ADAERN CC(C)C(=O)Nc1c[nH]nc1Cl 144753144 344029303 /nfs/dbraw/zinc/02/93/03/344029303.db2.gz JNBZDXJGNSVMNC-UHFFFAOYSA-N 0 0 187.630 1.658 10 0 ADAERN CON1C(=O)CC2=C(CCCC2)C1=O 144810613 344029332 /nfs/dbraw/zinc/02/93/32/344029332.db2.gz MOQLHRCGHQDADW-UHFFFAOYSA-N 0 0 195.218 1.177 10 0 ADAERN CCOC(=O)[C@H]1C[C@@H]2CC[C@H]1O2 144788507 344029392 /nfs/dbraw/zinc/02/93/92/344029392.db2.gz XXCACDZPLZGDIH-BIIVOSGPSA-N 0 0 170.208 1.117 10 0 ADAERN CCc1ncc(OC)c(Cl)n1 144801680 344029407 /nfs/dbraw/zinc/02/94/07/344029407.db2.gz XGIYJUCRYXQXCH-UHFFFAOYSA-N 0 0 172.615 1.701 10 0 ADAERN CC(C)C(C)(C)NC(N)=S 144745482 344029496 /nfs/dbraw/zinc/02/94/96/344029496.db2.gz YPLFQIPDKXXEDK-UHFFFAOYSA-N 0 0 160.286 1.254 10 0 ADAERN Cc1cc(-c2ccn(C)n2)ccc1N 144766426 344029444 /nfs/dbraw/zinc/02/94/44/344029444.db2.gz CFAWKGXJVLOFIM-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC(C)(C)C(=O)C(F)F 144803790 344029449 /nfs/dbraw/zinc/02/94/49/344029449.db2.gz LLVUXSVKKUDOLU-UHFFFAOYSA-N 0 0 136.141 1.867 10 0 ADAERN C[C@@H](NC(N)=S)C(C)(C)C 144748741 344029456 /nfs/dbraw/zinc/02/94/56/344029456.db2.gz ZYGVZNIJABPMQM-RXMQYKEDSA-N 0 0 160.286 1.254 10 0 ADAERN COC(=O)N1CC[C@H]2CCCC(=O)[C@H]21 144813158 344029504 /nfs/dbraw/zinc/02/95/04/344029504.db2.gz HAYZAKFROTUBGS-APPZFPTMSA-N 0 0 197.234 1.196 10 0 ADAERN COc1ccc(C2=NC[C@@H](C)O2)cc1 144789565 344029522 /nfs/dbraw/zinc/02/95/22/344029522.db2.gz KVFHIPHBZPWXFH-MRVPVSSYSA-N 0 0 191.230 1.861 10 0 ADAERN Cc1noc(C(C)(C)F)n1 144834507 344029743 /nfs/dbraw/zinc/02/97/43/344029743.db2.gz ORSAVZVDXMPURX-UHFFFAOYSA-N 0 0 144.149 1.583 10 0 ADAERN CN(C)c1cccc(P)c1N(C)C 144876589 344029788 /nfs/dbraw/zinc/02/97/88/344029788.db2.gz NRVXMRNNLGZVPH-UHFFFAOYSA-N 0 0 196.234 1.319 10 0 ADAERN O[C@H]1CC2(CCC2)CCO1 144850195 344029838 /nfs/dbraw/zinc/02/98/38/344029838.db2.gz ISGABRFWDQKXFL-SSDOTTSWSA-N 0 0 142.198 1.286 10 0 ADAERN Cc1cc(N)n(-c2cccc(O)c2)n1 144881488 344029845 /nfs/dbraw/zinc/02/98/45/344029845.db2.gz VUGSBAZHISXLFJ-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN O=C1CC(=O)[C@H](C2CCCCC2)N1 144881628 344029860 /nfs/dbraw/zinc/02/98/60/344029860.db2.gz MOAYCGZHTYDIEC-JTQLQIEISA-N 0 0 181.235 1.024 10 0 ADAERN C=Cc1c(OC)ncnc1OC 144831289 344029876 /nfs/dbraw/zinc/02/98/76/344029876.db2.gz NMRGJIGYSGZRPI-UHFFFAOYSA-N 0 0 166.180 1.137 10 0 ADAERN CCc1ncc[nH]c1=S 144887450 344029906 /nfs/dbraw/zinc/02/99/06/344029906.db2.gz VWQYNBCERYEVQI-UHFFFAOYSA-N 0 0 140.211 1.702 10 0 ADAERN COc1cc(C)c(Cl)[n+]([O-])c1 144842290 344029910 /nfs/dbraw/zinc/02/99/10/344029910.db2.gz BAHPGTKQZNTAQI-UHFFFAOYSA-N 0 0 173.599 1.290 10 0 ADAERN O[C@@H]1CC2(CCC2)CCO1 144850020 344029912 /nfs/dbraw/zinc/02/99/12/344029912.db2.gz ISGABRFWDQKXFL-ZETCQYMHSA-N 0 0 142.198 1.286 10 0 ADAERN CCNC(=O)c1c(N)cccc1F 144880983 344029915 /nfs/dbraw/zinc/02/99/15/344029915.db2.gz PYYJMKRCFXDLBZ-UHFFFAOYSA-N 0 0 182.198 1.158 10 0 ADAERN CCc1cnc(NC)cn1 144925481 344030106 /nfs/dbraw/zinc/03/01/06/344030106.db2.gz SQBILQNCAHMUMT-UHFFFAOYSA-N 0 0 137.186 1.081 10 0 ADAERN CCOC(=O)/C(C)=C/C=C/C[C@@H](C)O 144959158 344030108 /nfs/dbraw/zinc/03/01/08/344030108.db2.gz HHMUQFGOBQMGAN-VDNFYROHSA-N 0 0 198.262 1.823 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]1CCCC[NH2+]C1 144964478 344030132 /nfs/dbraw/zinc/03/01/32/344030132.db2.gz FQVSVZKJWCIIPZ-HTQZYQBOSA-N 0 0 171.240 1.097 10 0 ADAERN CCNc1ccc(CC)nn1 144927781 344030148 /nfs/dbraw/zinc/03/01/48/344030148.db2.gz DRGKSKUNDHAKQL-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN Cc1nc(C(C)(C)C)sc1C(N)=O 144919030 344030176 /nfs/dbraw/zinc/03/01/76/344030176.db2.gz FHFCKPZUIXSBKX-UHFFFAOYSA-N 0 0 198.291 1.848 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]1CCCC[NH2+]C1 144964876 344030216 /nfs/dbraw/zinc/03/02/16/344030216.db2.gz FQVSVZKJWCIIPZ-SFYZADRCSA-N 0 0 171.240 1.097 10 0 ADAERN Cc1cc(F)c(F)c(F)c1N 144971298 344030228 /nfs/dbraw/zinc/03/02/28/344030228.db2.gz GVHVFKOKIKGZTR-UHFFFAOYSA-N 0 0 161.126 1.995 10 0 ADAERN CCCCNc1ccn2nccc2n1 144939740 344030257 /nfs/dbraw/zinc/03/02/57/344030257.db2.gz CTLHUJXIVFTLIJ-UHFFFAOYSA-N 0 0 190.250 1.941 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CCCC[NH2+]C1 144964265 344030286 /nfs/dbraw/zinc/03/02/86/344030286.db2.gz FQVSVZKJWCIIPZ-JGVFFNPUSA-N 0 0 171.240 1.097 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CCCC[NH2+]C1 144964691 344030335 /nfs/dbraw/zinc/03/03/35/344030335.db2.gz FQVSVZKJWCIIPZ-YUMQZZPRSA-N 0 0 171.240 1.097 10 0 ADAERN COC(=O)c1cc(C)c(O)c(C=O)c1 144950528 344030346 /nfs/dbraw/zinc/03/03/46/344030346.db2.gz LIAMCVSKVPDCAT-UHFFFAOYSA-N 0 0 194.186 1.300 10 0 ADAERN N=C(N)c1cc2c(F)cccc2o1 144904928 344030359 /nfs/dbraw/zinc/03/03/59/344030359.db2.gz CZVKMNWMUOHSLX-UHFFFAOYSA-N 0 0 178.166 1.856 10 0 ADAERN COc1ccc(N)c(NCCF)n1 144922597 344030366 /nfs/dbraw/zinc/03/03/66/344030366.db2.gz GEGLEZBWJGQQJK-UHFFFAOYSA-N 0 0 185.202 1.054 10 0 ADAERN CC(C)C(=O)[C@@H](O)C(C)(C)C 144910564 344030368 /nfs/dbraw/zinc/03/03/68/344030368.db2.gz DXGBQTPSPMHJGD-MRVPVSSYSA-N 0 0 158.241 1.619 10 0 ADAERN NC(=O)C1(C(F)(F)F)CCCC1 144953080 344030371 /nfs/dbraw/zinc/03/03/71/344030371.db2.gz WJTTZABRNOOALR-UHFFFAOYSA-N 0 0 181.157 1.594 10 0 ADAERN CCNc1cnc(CC)cn1 144926130 344030453 /nfs/dbraw/zinc/03/04/53/344030453.db2.gz CULSBAKEJGFSJY-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN CC(C)(C)Nc1ccncn1 145022557 344030630 /nfs/dbraw/zinc/03/06/30/344030630.db2.gz HPCUGQWOBDSBBJ-UHFFFAOYSA-N 0 0 151.213 1.687 10 0 ADAERN CCOc1ccccc1ON 144981976 344030741 /nfs/dbraw/zinc/03/07/41/344030741.db2.gz HVTUNLJWIGCJTI-UHFFFAOYSA-N 0 0 153.181 1.338 10 0 ADAERN C[C@H](CC(N)=O)c1ccc(F)cc1F 145039436 344030767 /nfs/dbraw/zinc/03/07/67/344030767.db2.gz AWBKKDQUNJBPSU-ZCFIWIBFSA-N 0 0 199.200 1.944 10 0 ADAERN C[C@@H](CC(N)=O)c1ccc(F)cc1F 145039257 344030802 /nfs/dbraw/zinc/03/08/02/344030802.db2.gz AWBKKDQUNJBPSU-LURJTMIESA-N 0 0 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344034104 /nfs/dbraw/zinc/03/41/04/344034104.db2.gz ZGTRIHISSBJPFC-UHFFFAOYSA-N 0 0 163.220 1.549 10 0 ADAERN COC(=O)C[C@H](O)CCCC(C)C 145524799 344034122 /nfs/dbraw/zinc/03/41/22/344034122.db2.gz KPUOGNIODUHGGP-SECBINFHSA-N 0 0 188.267 1.737 10 0 ADAERN COc1cc(C(C)C)nc(N)n1 145603018 344034370 /nfs/dbraw/zinc/03/43/70/344034370.db2.gz ONNUDXJQKMZISO-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN COc1ccc(C)c(C)c1CO 145586734 344034449 /nfs/dbraw/zinc/03/44/49/344034449.db2.gz DUBSMJNGOBVSBP-UHFFFAOYSA-N 0 0 166.220 1.804 10 0 ADAERN Cc1ccc(Cl)nc1CO 145593220 344034497 /nfs/dbraw/zinc/03/44/97/344034497.db2.gz ONRPJLDCPOLWEM-UHFFFAOYSA-N 0 0 157.600 1.536 10 0 ADAERN Clc1cnc(-n2cccn2)nc1 145575915 344034502 /nfs/dbraw/zinc/03/45/02/344034502.db2.gz LYEUZGUQOPWTTE-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN CC(=O)NCc1ccc2[nH]ccc2c1 145613809 344034546 /nfs/dbraw/zinc/03/45/46/344034546.db2.gz SDHPUAFWPLRIDY-UHFFFAOYSA-N 0 0 188.230 1.804 10 0 ADAERN COc1cccc2c1SC(=O)C2=O 145606202 344034549 /nfs/dbraw/zinc/03/45/49/344034549.db2.gz KMDIQQCVGPLJIH-UHFFFAOYSA-N 0 0 194.211 1.510 10 0 ADAERN O=c1[nH]ccc2cscc12 145578461 344034556 /nfs/dbraw/zinc/03/45/56/344034556.db2.gz PYHKUFPGZZGCML-UHFFFAOYSA-N 0 0 151.190 1.590 10 0 ADAERN CC[C@H](C)[C@H]1CCCCNC1=O 145550413 344034569 /nfs/dbraw/zinc/03/45/69/344034569.db2.gz HRQWNXQLGVHPAD-DTWKUNHWSA-N 0 0 169.268 1.949 10 0 ADAERN Cc1cnc(F)c(CO)c1C 145988476 344037648 /nfs/dbraw/zinc/03/76/48/344037648.db2.gz JDXWSFYVBBTDFG-UHFFFAOYSA-N 0 0 155.172 1.330 10 0 ADAERN Cc1c(O)ccc(O)c1C=O 145551828 344034704 /nfs/dbraw/zinc/03/47/04/344034704.db2.gz PKVMVCAOFMRYLV-UHFFFAOYSA-N 0 0 152.149 1.219 10 0 ADAERN C1=NCCc2ncccc21 145699048 344034936 /nfs/dbraw/zinc/03/49/36/344034936.db2.gz YBGJHZGRVXCQHI-UHFFFAOYSA-N 0 0 132.166 1.057 10 0 ADAERN CC(=O)Nc1cnc2c(c1)C=NCC2 145694707 344034963 /nfs/dbraw/zinc/03/49/63/344034963.db2.gz SJMFNQUCFNOEGX-UHFFFAOYSA-N 0 0 189.218 1.015 10 0 ADAERN c1cnnc(-c2nc(C3CC3)no2)c1 145664105 344035031 /nfs/dbraw/zinc/03/50/31/344035031.db2.gz SYHHMURPCRRJKR-UHFFFAOYSA-N 0 0 188.190 1.404 10 0 ADAERN Nc1ccc(-n2cnc(Cl)c2)nc1 145692224 344035086 /nfs/dbraw/zinc/03/50/86/344035086.db2.gz DESCUNOCUWIUAB-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Cc1cc(OC(F)F)ncc1C=O 145638941 344035130 /nfs/dbraw/zinc/03/51/30/344035130.db2.gz JCBACWHNOHQESA-UHFFFAOYSA-N 0 0 187.145 1.804 10 0 in-vitro ADAERN CCn1nc(C)c2c1C=NCC2 145660395 344035136 /nfs/dbraw/zinc/03/51/36/344035136.db2.gz SMVVUUPYKVEGHQ-UHFFFAOYSA-N 0 0 163.224 1.186 10 0 ADAERN Cc1cc(CO)cnc1OCC1CC1 145666363 344035147 /nfs/dbraw/zinc/03/51/47/344035147.db2.gz QRDRPXNCFHJRDI-UHFFFAOYSA-N 0 0 193.246 1.671 10 0 ADAERN C1=NCCn2c(-c3ccccc3)cnc21 145680522 344035152 /nfs/dbraw/zinc/03/51/52/344035152.db2.gz JXXKDPWKYRDUDL-UHFFFAOYSA-N 0 0 197.241 1.983 10 0 ADAERN COC(=O)[C@H]1CC[C@@H](OC)CC1 145687949 344035192 /nfs/dbraw/zinc/03/51/92/344035192.db2.gz GPABZOTWBDPXNZ-ZKCHVHJHSA-N 0 0 172.224 1.365 10 0 ADAERN COC(=O)/C=C/N1CCCCCC1=O 145728551 344035386 /nfs/dbraw/zinc/03/53/86/344035386.db2.gz VNUPXXQNYBGCOL-SOFGYWHQSA-N 0 0 197.234 1.076 10 0 ADAERN C[C@@]12CCCC[C@@H]1NC(=O)O2 145773869 344035401 /nfs/dbraw/zinc/03/54/01/344035401.db2.gz FBVZZXGFPMYONR-POYBYMJQSA-N 0 0 155.197 1.428 10 0 ADAERN CC(C)[C@H]1CC[C@H](C)[C@H](O)[C@H]1O 145742756 344035439 /nfs/dbraw/zinc/03/54/39/344035439.db2.gz WQFGPARDTSBVLU-JXUBOQSCSA-N 0 0 172.268 1.410 10 0 ADAERN CNc1nc(C)ccc1COC 145768389 344035483 /nfs/dbraw/zinc/03/54/83/344035483.db2.gz ZKGXXBGAGAKPSL-UHFFFAOYSA-N 0 0 166.224 1.578 10 0 ADAERN CCO[C@H]1Cc2ccccc2C1=O 145716227 344035518 /nfs/dbraw/zinc/03/55/18/344035518.db2.gz DTCMYTPNBWNTIW-JTQLQIEISA-N 0 0 176.215 1.831 10 0 ADAERN CCO[C@@H]1Cc2ccccc2C1=O 145716025 344035575 /nfs/dbraw/zinc/03/55/75/344035575.db2.gz DTCMYTPNBWNTIW-SNVBAGLBSA-N 0 0 176.215 1.831 10 0 ADAERN Cc1cccc2nnn(C)c12 145777179 344035607 /nfs/dbraw/zinc/03/56/07/344035607.db2.gz OQRMHCMQYJXSPU-UHFFFAOYSA-N 0 0 147.181 1.277 10 0 ADAERN NNc1ccc(C(F)F)cc1 145715823 344035681 /nfs/dbraw/zinc/03/56/81/344035681.db2.gz KUPFMNQEFBKZPL-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN C[C@@H](CO)SC(F)(F)F 145780733 344035690 /nfs/dbraw/zinc/03/56/90/344035690.db2.gz YVEYJCUGGXJXHR-VKHMYHEASA-N 0 0 160.160 1.620 10 0 ADAERN O=C1C=C(c2ccccc2)C(=O)N=N1 145776351 344035703 /nfs/dbraw/zinc/03/57/03/344035703.db2.gz KFJCVCYLUVIDFY-UHFFFAOYSA-N 0 0 186.170 1.589 10 0 ADAERN C[C@H](CO)SC(F)(F)F 145780923 344035713 /nfs/dbraw/zinc/03/57/13/344035713.db2.gz YVEYJCUGGXJXHR-GSVOUGTGSA-N 0 0 160.160 1.620 10 0 ADAERN Cc1ccc(C(=O)N(C)C)c(Cl)n1 145815803 344035856 /nfs/dbraw/zinc/03/58/56/344035856.db2.gz PNRWBPPITZYUON-UHFFFAOYSA-N 0 0 198.653 1.745 10 0 ADAERN Cc1cc(NC=O)c(C)cc1O 145791188 344035893 /nfs/dbraw/zinc/03/58/93/344035893.db2.gz YGQIOBVFYXGPCG-UHFFFAOYSA-N 0 0 165.192 1.577 10 0 ADAERN COc1ccc(OC)c(OCCO)c1 145808468 344035982 /nfs/dbraw/zinc/03/59/82/344035982.db2.gz PMSLNCIJTNSSAS-UHFFFAOYSA-N 0 0 198.218 1.075 10 0 ADAERN Cc1noc(C2(C)CC2)n1 145817123 344036008 /nfs/dbraw/zinc/03/60/08/344036008.db2.gz JPCPFFZGBHWOGL-UHFFFAOYSA-N 0 0 138.170 1.430 10 0 ADAERN Cn1nnnc1-c1ccc(F)cc1 145805853 344036092 /nfs/dbraw/zinc/03/60/92/344036092.db2.gz CGWKJJWFMPGAIK-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN Cc1cc(-c2cc(C)ncn2)ncn1 145789977 344036155 /nfs/dbraw/zinc/03/61/55/344036155.db2.gz CKKHLMKSUPIECS-UHFFFAOYSA-N 0 0 186.218 1.550 10 0 ADAERN CC(=O)Oc1ccc2c(c1)COC2=O 145837446 344036182 /nfs/dbraw/zinc/03/61/82/344036182.db2.gz GEFLHLNIKGXWCA-UHFFFAOYSA-N 0 0 192.170 1.282 10 0 ADAERN COc1ccc2c(n1)CCC2 145897920 344036541 /nfs/dbraw/zinc/03/65/41/344036541.db2.gz HCEABFRBVJOSJB-UHFFFAOYSA-N 0 0 149.193 1.579 10 0 ADAERN CC[C@@H](C)C1(F)C[NH2+]C1 145855630 344036564 /nfs/dbraw/zinc/03/65/64/344036564.db2.gz JTMKMCYGCUVESR-ZCFIWIBFSA-N 0 0 131.194 1.344 10 0 ADAERN CC[C@H](C)C1(F)C[NH2+]C1 145855845 344036572 /nfs/dbraw/zinc/03/65/72/344036572.db2.gz JTMKMCYGCUVESR-LURJTMIESA-N 0 0 131.194 1.344 10 0 ADAERN C[C@@H](C=O)c1ccc(F)c(C#N)c1 145849829 344036647 /nfs/dbraw/zinc/03/66/47/344036647.db2.gz MZPLEFJMXCGPBT-ZETCQYMHSA-N 0 0 177.178 2.000 10 0 ADAERN C[C@H](C=O)c1ccc(F)c(C#N)c1 145850021 344036727 /nfs/dbraw/zinc/03/67/27/344036727.db2.gz MZPLEFJMXCGPBT-SSDOTTSWSA-N 0 0 177.178 2.000 10 0 ADAERN Cc1csc2c1COC2=O 145868912 344036745 /nfs/dbraw/zinc/03/67/45/344036745.db2.gz WETTXCBIHYKVBA-UHFFFAOYSA-N 0 0 154.190 1.727 10 0 ADAERN Nc1nocc1C(F)(F)F 145851749 344036789 /nfs/dbraw/zinc/03/67/89/344036789.db2.gz ORRGGRGKRAWRMM-UHFFFAOYSA-N 0 0 152.075 1.276 10 0 ADAERN COc1cc(OC)c(O)c(C(C)=O)c1 145927123 344037006 /nfs/dbraw/zinc/03/70/06/344037006.db2.gz JVBFVDDXQUVCQN-UHFFFAOYSA-N 0 0 196.202 1.612 10 0 ADAERN C[C@@H]1C[N@@H+](C2CCC2)CCO1 145955659 344037065 /nfs/dbraw/zinc/03/70/65/344037065.db2.gz VEWSZMXAEHAORK-MRVPVSSYSA-N 0 0 155.241 1.260 10 0 ADAERN C=C/C=C/C(C)(C)CO 145963450 344037083 /nfs/dbraw/zinc/03/70/83/344037083.db2.gz ZZMQUOJDTXHGIF-AATRIKPKSA-N 0 0 126.199 1.747 10 0 ADAERN O=C(NN1CCCC1)c1cccs1 145920823 344037109 /nfs/dbraw/zinc/03/71/09/344037109.db2.gz QIIBJTBOIFTWJS-UHFFFAOYSA-N 0 0 196.275 1.489 10 0 ADAERN Cc1ccc(C2(O)COC2)c(Cl)n1 145960737 344037136 /nfs/dbraw/zinc/03/71/36/344037136.db2.gz BAHNLNXIALECPF-UHFFFAOYSA-N 0 0 199.637 1.261 10 0 ADAERN CCC[C@H]([NH3+])NC(=O)OC(C)(C)C 145915667 344037145 /nfs/dbraw/zinc/03/71/45/344037145.db2.gz CLWDJTBJHITVPU-SSDOTTSWSA-N 0 0 188.271 1.596 10 0 ADAERN CCC[C@@H]([NH3+])NC(=O)OC(C)(C)C 145915479 344037193 /nfs/dbraw/zinc/03/71/93/344037193.db2.gz CLWDJTBJHITVPU-ZETCQYMHSA-N 0 0 188.271 1.596 10 0 ADAERN O=Cc1cccc(/C=C/[N+](=O)[O-])c1 145946707 344037207 /nfs/dbraw/zinc/03/72/07/344037207.db2.gz QQJLTCKALPLTBQ-SNAWJCMRSA-N 0 0 177.159 1.747 10 0 ADAERN S=c1[nH]ccn1Cc1ccncn1 145951840 344037327 /nfs/dbraw/zinc/03/73/27/344037327.db2.gz AKLXOCLCRQFMEN-UHFFFAOYSA-N 0 0 192.247 1.384 10 0 ADAERN COCC[C@H]1C[C@@H]1c1cncc(O)c1 145914995 344037347 /nfs/dbraw/zinc/03/73/47/344037347.db2.gz IDWWDDDQWJLENI-KWQFWETISA-N 0 0 193.246 1.927 10 0 ADAERN CCC[C@H]1C[NH2+][C@@H](CC(C)C)C(=O)N1 145918172 344037399 /nfs/dbraw/zinc/03/73/99/344037399.db2.gz GOOJOAANUCKFCP-UWVGGRQHSA-N 0 0 198.310 1.289 10 0 ADAERN CC1(C)OC(=O)c2cc(O)ccc2O1 145919206 344037433 /nfs/dbraw/zinc/03/74/33/344037433.db2.gz NPAJKMLLIJXZJI-UHFFFAOYSA-N 0 0 194.186 1.678 10 0 ADAERN C=Cc1nc(Cl)nc(N)c1OC 146045840 344037638 /nfs/dbraw/zinc/03/76/38/344037638.db2.gz IGURWENIUPRKIM-UHFFFAOYSA-N 0 0 185.614 1.364 10 0 ADAERN CC(C)(C)[C@@H]1COCC1=O 146021181 344037640 /nfs/dbraw/zinc/03/76/40/344037640.db2.gz VICZDPLZWGPCTN-ZCFIWIBFSA-N 0 0 142.198 1.248 10 0 ADAERN CCCC(=O)C(=O)Nc1ccccc1 145994869 344037643 /nfs/dbraw/zinc/03/76/43/344037643.db2.gz PFQABGYKVXCSTR-UHFFFAOYSA-N 0 0 191.230 1.994 10 0 ADAERN C[C@H]1COc2cccc3[nH]c(=O)n1c23 146001198 344037660 /nfs/dbraw/zinc/03/76/60/344037660.db2.gz KZFGXXFMXUKRAK-LURJTMIESA-N 0 0 190.202 1.283 10 0 ADAERN Cc1c(C(N)=O)[nH]c2ccc(F)cc12 146040086 344037703 /nfs/dbraw/zinc/03/77/03/344037703.db2.gz OUXMRUYWNQGCDJ-UHFFFAOYSA-N 0 0 192.193 1.714 10 0 ADAERN CC(C)(C)[C@H]1COCC1=O 146021380 344037792 /nfs/dbraw/zinc/03/77/92/344037792.db2.gz VICZDPLZWGPCTN-LURJTMIESA-N 0 0 142.198 1.248 10 0 ADAERN O=c1cc(O)c2c([nH]1)CCCCC2 146001523 344037849 /nfs/dbraw/zinc/03/78/49/344037849.db2.gz NTUKHMHZQIPWEE-UHFFFAOYSA-N 0 0 179.219 1.349 10 0 ADAERN Cc1coc(NC(=O)C(F)(F)F)n1 145974980 344037861 /nfs/dbraw/zinc/03/78/61/344037861.db2.gz OXYXXLNJAJOCRS-UHFFFAOYSA-N 0 0 194.112 1.484 10 0 ADAERN CCC(=O)Nc1nc(C)co1 145984388 344037933 /nfs/dbraw/zinc/03/79/33/344037933.db2.gz MFPMIGRMKUOXNL-UHFFFAOYSA-N 0 0 154.169 1.332 10 0 ADAERN O=C1CC(=O)[C@@H](C2CCCCC2)N1 146015053 344037940 /nfs/dbraw/zinc/03/79/40/344037940.db2.gz MOAYCGZHTYDIEC-SNVBAGLBSA-N 0 0 181.235 1.024 10 0 ADAERN O=Cc1ccc(O)c2c1CCC2 146055121 344038173 /nfs/dbraw/zinc/03/81/73/344038173.db2.gz GDCYITYHSRWZES-UHFFFAOYSA-N 0 0 162.188 1.693 10 0 ADAERN NC(=O)Nc1cc(C(F)(F)F)no1 146068740 344038178 /nfs/dbraw/zinc/03/81/78/344038178.db2.gz FDHGSOKUPDOLKR-UHFFFAOYSA-N 0 0 195.100 1.184 10 0 ADAERN Cc1nc(-c2ccc(C=O)cn2)no1 146082834 344038181 /nfs/dbraw/zinc/03/81/81/344038181.db2.gz QRKCLPGEQPKYHH-UHFFFAOYSA-N 0 0 189.174 1.253 10 0 ADAERN Cc1cc(C=O)n(C(C)C)n1 146075547 344038239 /nfs/dbraw/zinc/03/82/39/344038239.db2.gz WESOFYYHUJEHHY-UHFFFAOYSA-N 0 0 152.197 1.585 10 0 ADAERN Cc1ncnc(F)c1F 146078672 344038248 /nfs/dbraw/zinc/03/82/48/344038248.db2.gz XFVOPTOIMFINOD-UHFFFAOYSA-N 0 0 130.097 1.063 10 0 ADAERN COCCCSCCCOC 146061251 344038257 /nfs/dbraw/zinc/03/82/57/344038257.db2.gz BWRLZUYWVLWQEP-UHFFFAOYSA-N 0 0 178.297 1.793 10 0 ADAERN Cc1nc(Cl)co1 146101762 344038353 /nfs/dbraw/zinc/03/83/53/344038353.db2.gz RVIMUTZYCUIECU-UHFFFAOYSA-N 0 0 117.535 1.636 10 0 ADAERN CCNc1cnc(C)cn1 146106916 344038398 /nfs/dbraw/zinc/03/83/98/344038398.db2.gz LKLPWWUPJSXECN-UHFFFAOYSA-N 0 0 137.186 1.217 10 0 ADAERN N#Cc1ccnc([N+](=O)[O-])c1Cl 146051885 344038446 /nfs/dbraw/zinc/03/84/46/344038446.db2.gz WPOGFEFLWVDVFK-UHFFFAOYSA-N 0 0 183.554 1.515 10 0 ADAERN C=C/C=C(\C)CCO 146132152 344038592 /nfs/dbraw/zinc/03/85/92/344038592.db2.gz JQLHPZVSICDDQT-QPJJXVBHSA-N 0 0 112.172 1.501 10 0 ADAERN O=CC1[C@H]2CCC#CCC[C@H]12 146141801 344038676 /nfs/dbraw/zinc/03/86/76/344038676.db2.gz XYBUZZWNPAUJEB-IUCAKERBSA-N 0 0 148.205 1.625 10 0 ADAERN CNc1nc(C(C)=O)c(C)s1 146155850 344038765 /nfs/dbraw/zinc/03/87/65/344038765.db2.gz CTOCVZBHADSWRA-UHFFFAOYSA-N 0 0 170.237 1.696 10 0 ADAERN Cc1ccc(-c2ccn(C)n2)cn1 146110234 344038864 /nfs/dbraw/zinc/03/88/64/344038864.db2.gz OBWSPALYPJKQAA-UHFFFAOYSA-N 0 0 173.219 1.791 10 0 ADAERN CCC(=O)c1cccnn1 146153287 344038977 /nfs/dbraw/zinc/03/89/77/344038977.db2.gz SNBMJDTUSFPJMA-UHFFFAOYSA-N 0 0 136.154 1.069 10 0 ADAERN CNC(=S)N(C)c1cccnc1 146160354 344038999 /nfs/dbraw/zinc/03/89/99/344038999.db2.gz ZQEKGABRQSPBRQ-UHFFFAOYSA-N 0 0 181.264 1.022 10 0 ADAERN NC(=O)c1[nH]c2ccccc2c1Cl 146122030 344039014 /nfs/dbraw/zinc/03/90/14/344039014.db2.gz BNCSGADNSKBSJU-UHFFFAOYSA-N 0 0 194.621 1.920 10 0 ADAERN NC(=O)Nc1ccc2cc[nH]c2c1 146133010 344039029 /nfs/dbraw/zinc/03/90/29/344039029.db2.gz GHURQQZPWKYINB-UHFFFAOYSA-N 0 0 175.191 1.659 10 0 ADAERN O=CC1[C@@H]2CCC#CCC[C@@H]12 146141379 344039088 /nfs/dbraw/zinc/03/90/88/344039088.db2.gz XYBUZZWNPAUJEB-RKDXNWHRSA-N 0 0 148.205 1.625 10 0 ADAERN COc1ccc(-c2cc[nH]n2)nc1 146156379 344039115 /nfs/dbraw/zinc/03/91/15/344039115.db2.gz JQEPZWIMBARBKN-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN Cc1ccc(O[C@H]2CCOC2)nc1 146174066 344039330 /nfs/dbraw/zinc/03/93/30/344039330.db2.gz NFIVOGJUMNABRE-VIFPVBQESA-N 0 0 179.219 1.558 10 0 ADAERN Cc1ccc(O[C@@H]2CCOC2)nc1 146173890 344039339 /nfs/dbraw/zinc/03/93/39/344039339.db2.gz NFIVOGJUMNABRE-SECBINFHSA-N 0 0 179.219 1.558 10 0 ADAERN [NH3+]CCCc1ccc(CC(=O)[O-])cc1 146214730 344039343 /nfs/dbraw/zinc/03/93/43/344039343.db2.gz KGCUBYFMCYAGJA-UHFFFAOYSA-N 0 0 193.246 1.205 10 0 ADAERN CC(C)(C)C(=O)N[C@H]1CCC[C@H]1O 146193701 344039373 /nfs/dbraw/zinc/03/93/73/344039373.db2.gz ZIIAIJUSMMPJIO-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN COC(=O)[C@H]1NCCc2ccsc21 146186863 344039376 /nfs/dbraw/zinc/03/93/76/344039376.db2.gz WULBCYZJRKVHNG-ZETCQYMHSA-N 0 0 197.259 1.108 10 0 ADAERN COC(=O)C1(Cl)CCC(=O)CC1 146210253 344039420 /nfs/dbraw/zinc/03/94/20/344039420.db2.gz ZUDAPSUOLOFOKZ-UHFFFAOYSA-N 0 0 190.626 1.280 10 0 ADAERN CC1(C)OC[C@@H](c2ccc(N)cn2)O1 146201022 344039423 /nfs/dbraw/zinc/03/94/23/344039423.db2.gz KNVGFQWXGOKJHK-VIFPVBQESA-N 0 0 194.234 1.488 10 0 ADAERN O=C1NC[C@H](c2cc(F)cc(F)c2)O1 146184081 344039466 /nfs/dbraw/zinc/03/94/66/344039466.db2.gz QBNIKYWBQNXNFS-MRVPVSSYSA-N 0 0 199.156 1.746 10 0 ADAERN CC1(C)OC[C@H](c2ccc(N)cn2)O1 146200801 344039486 /nfs/dbraw/zinc/03/94/86/344039486.db2.gz KNVGFQWXGOKJHK-SECBINFHSA-N 0 0 194.234 1.488 10 0 ADAERN COc1ccc(C=O)c(OC)c1F 146195631 344039495 /nfs/dbraw/zinc/03/94/95/344039495.db2.gz DVFHJCHHPUPRDK-UHFFFAOYSA-N 0 0 184.166 1.655 10 0 ADAERN COC(=O)[C@@H]1NCCc2ccsc21 146186726 344039502 /nfs/dbraw/zinc/03/95/02/344039502.db2.gz WULBCYZJRKVHNG-SSDOTTSWSA-N 0 0 197.259 1.108 10 0 ADAERN CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1O 146193083 344039538 /nfs/dbraw/zinc/03/95/38/344039538.db2.gz ZIIAIJUSMMPJIO-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN Cc1csc(-n2nccc2N)n1 146211016 344039610 /nfs/dbraw/zinc/03/96/10/344039610.db2.gz NKYAQFQICRVTDR-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN CC(=O)Nc1ncc(C)cc1C 146211856 344039617 /nfs/dbraw/zinc/03/96/17/344039617.db2.gz HQQYAPMBTDEUJG-UHFFFAOYSA-N 0 0 164.208 1.657 10 0 ADAERN OCC1(CO)[C@H]2CCC=CCC[C@H]21 146164122 344039637 /nfs/dbraw/zinc/03/96/37/344039637.db2.gz IBRHRRQYQSRQEX-AOOOYVTPSA-N 0 0 182.263 1.334 10 0 ADAERN COC(=O)CCc1c(O)cccc1O 146199001 344039644 /nfs/dbraw/zinc/03/96/44/344039644.db2.gz JGZHUVLXNZQVGL-UHFFFAOYSA-N 0 0 196.202 1.203 10 0 ADAERN CCOC(=O)c1n[nH]c(C)c1CC 146299644 344040048 /nfs/dbraw/zinc/04/00/48/344040048.db2.gz KJTBWCASXXPYAI-UHFFFAOYSA-N 0 0 182.223 1.457 10 0 ADAERN Cc1ccc(CC(N)=O)s1 146240683 344040128 /nfs/dbraw/zinc/04/01/28/344040128.db2.gz OEVSROUZBKUEGF-UHFFFAOYSA-N 0 0 155.222 1.084 10 0 ADAERN CNC(=O)[C@@H]1CCC(C)=C(C)C1 146239032 344040166 /nfs/dbraw/zinc/04/01/66/344040166.db2.gz FJVQVCXTANWXHQ-SECBINFHSA-N 0 0 167.252 1.869 10 0 ADAERN CC(C)(C)CN1C(=O)NC(C)(C)C1=O 146279874 344040177 /nfs/dbraw/zinc/04/01/77/344040177.db2.gz NJKSXQQNCMJDCP-UHFFFAOYSA-N 0 0 198.266 1.363 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1[C@H]2C(=O)CC[C@H]21 146238248 344040200 /nfs/dbraw/zinc/04/02/00/344040200.db2.gz TWEKJFONPAUNFU-VDAHYXPESA-N 0 0 196.246 1.553 10 0 ADAERN CNC(=O)[C@H]1CCC(C)=C(C)C1 146239245 344040283 /nfs/dbraw/zinc/04/02/83/344040283.db2.gz FJVQVCXTANWXHQ-VIFPVBQESA-N 0 0 167.252 1.869 10 0 ADAERN COCn1cnc2ncc(Cl)cc21 146275377 344040371 /nfs/dbraw/zinc/04/03/71/344040371.db2.gz APNDGMXRTSHWFM-UHFFFAOYSA-N 0 0 197.625 1.689 10 0 ADAERN O=c1cnccn1Cc1ccccc1 146376490 344040805 /nfs/dbraw/zinc/04/08/05/344040805.db2.gz KDXGRARBRUVVIY-UHFFFAOYSA-N 0 0 186.214 1.292 10 0 ADAERN Nc1ccsc1O[C@@H]1CCOC1 146451064 344040848 /nfs/dbraw/zinc/04/08/48/344040848.db2.gz INJYHXPPVRADEZ-ZCFIWIBFSA-N 0 0 185.248 1.498 10 0 ADAERN CC#Cc1cnc2ccc(Cl)nn12 146427619 344040851 /nfs/dbraw/zinc/04/08/51/344040851.db2.gz PVFQTMQBZICDAR-UHFFFAOYSA-N 0 0 191.621 1.754 10 0 ADAERN Fc1cncc(-c2cc[nH]n2)c1 146388375 344040859 /nfs/dbraw/zinc/04/08/59/344040859.db2.gz YGGVCDUMBWCLOG-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN CCC(=O)Nc1onc(C)c1C 146468693 344040921 /nfs/dbraw/zinc/04/09/21/344040921.db2.gz MTRUXNRENSVOCE-UHFFFAOYSA-N 0 0 168.196 1.640 10 0 ADAERN COCn1cnc2ncccc21 146384728 344040959 /nfs/dbraw/zinc/04/09/59/344040959.db2.gz YKBUSEGLANSBRP-UHFFFAOYSA-N 0 0 163.180 1.035 10 0 ADAERN COCOc1cccc2c1C(=O)OC2 146482143 344040972 /nfs/dbraw/zinc/04/09/72/344040972.db2.gz AIEBMIXEHMRRFK-UHFFFAOYSA-N 0 0 194.186 1.340 10 0 ADAERN Cc1cccc2nn(C)nc12 146421858 344040998 /nfs/dbraw/zinc/04/09/98/344040998.db2.gz PDGAAYUATJAXJI-UHFFFAOYSA-N 0 0 147.181 1.277 10 0 ADAERN COC(=O)CCCCn1ccnc1 146603985 344041315 /nfs/dbraw/zinc/04/13/15/344041315.db2.gz AOJCPQABHBGKLZ-UHFFFAOYSA-N 0 0 182.223 1.226 10 0 ADAERN O=C(c1ccccc1)N1CC[C@@H](F)C1 146648685 344041329 /nfs/dbraw/zinc/04/13/29/344041329.db2.gz ALVKFIRVDJOWIC-SNVBAGLBSA-N 0 0 193.221 1.871 10 0 ADAERN CNC(=O)c1ccoc1C(F)(F)F 146591197 344041338 /nfs/dbraw/zinc/04/13/38/344041338.db2.gz GINPJIAGAOJIAN-UHFFFAOYSA-N 0 0 193.124 1.658 10 0 ADAERN N#Cc1c(F)ccc2c1CC[C@@H]2C=O 146630984 344041369 /nfs/dbraw/zinc/04/13/69/344041369.db2.gz LLWLGMBSHGPRJM-SSDOTTSWSA-N 0 0 189.189 1.926 10 0 ADAERN c1nnc(N2CCCCC2)s1 146548808 344041440 /nfs/dbraw/zinc/04/14/40/344041440.db2.gz GVZDYULATSMJIL-UHFFFAOYSA-N 0 0 169.253 1.528 10 0 ADAERN OCc1ncsc1C1CC1 146562564 344041736 /nfs/dbraw/zinc/04/17/36/344041736.db2.gz LGHIQXBXDFOGID-UHFFFAOYSA-N 0 0 155.222 1.513 10 0 ADAERN OC[C@@H]1C[C@@H]1COCc1ccccc1 146551337 344041520 /nfs/dbraw/zinc/04/15/20/344041520.db2.gz QXASXPPLOQNMOY-NWDGAFQWSA-N 0 0 192.258 1.832 10 0 ADAERN Cc1ccc2nc(NN)c(C)nc2c1 146609542 344041583 /nfs/dbraw/zinc/04/15/83/344041583.db2.gz IAKOLTZSHWBRCX-UHFFFAOYSA-N 0 0 188.234 1.532 10 0 ADAERN Cc1sccc1CC(N)=O 146605601 344041636 /nfs/dbraw/zinc/04/16/36/344041636.db2.gz XECJVYBNKXSZET-UHFFFAOYSA-N 0 0 155.222 1.084 10 0 ADAERN N#Cc1c(F)ccc2c1CC[C@H]2C=O 146630781 344041640 /nfs/dbraw/zinc/04/16/40/344041640.db2.gz LLWLGMBSHGPRJM-ZETCQYMHSA-N 0 0 189.189 1.926 10 0 ADAERN OCc1ccc(-n2cccn2)cc1F 146582844 344041645 /nfs/dbraw/zinc/04/16/45/344041645.db2.gz BTDLXJUURGFJMX-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN C=Cc1ccccc1S(=O)(=O)NC 146637764 344041672 /nfs/dbraw/zinc/04/16/72/344041672.db2.gz VRLQWOQRJOYBLX-UHFFFAOYSA-N 0 0 197.259 1.238 10 0 ADAERN C[C@H]1NC(=O)O[C@@H]1c1cccnc1 146790687 344041839 /nfs/dbraw/zinc/04/18/39/344041839.db2.gz ULAGRXCFWWETLI-SVRRBLITSA-N 0 0 178.191 1.251 10 0 ADAERN C[C@H]1NC(=O)O[C@H]1c1cccnc1 146791084 344041841 /nfs/dbraw/zinc/04/18/41/344041841.db2.gz ULAGRXCFWWETLI-HTRCEHHLSA-N 0 0 178.191 1.251 10 0 ADAERN Cc1cc(C2CC2)no1 146688890 344041842 /nfs/dbraw/zinc/04/18/42/344041842.db2.gz DEUJAGLZSKGNER-UHFFFAOYSA-N 0 0 123.155 1.860 10 0 ADAERN COC(=O)c1ncsc1C1CC1 146799724 344041879 /nfs/dbraw/zinc/04/18/79/344041879.db2.gz JHBUNFRAGGQMRV-UHFFFAOYSA-N 0 0 183.232 1.807 10 0 ADAERN C[C@@H]1NC(=O)O[C@@H]1c1cccnc1 146790502 344041921 /nfs/dbraw/zinc/04/19/21/344041921.db2.gz ULAGRXCFWWETLI-XPUUQOCRSA-N 0 0 178.191 1.251 10 0 ADAERN C[C@H](O)c1ncc(O)cc1Cl 146765356 344041939 /nfs/dbraw/zinc/04/19/39/344041939.db2.gz JDTWEFZACAZVPZ-BYPYZUCNSA-N 0 0 173.599 1.494 10 0 ADAERN CCC(=O)C1CCC2(CC1)OCCO2 146742766 344041969 /nfs/dbraw/zinc/04/19/69/344041969.db2.gz XJICACQLGNEPJI-UHFFFAOYSA-N 0 0 198.262 1.899 10 0 ADAERN C[C@@H]1NC(=O)O[C@H]1c1cccnc1 146790892 344041985 /nfs/dbraw/zinc/04/19/85/344041985.db2.gz ULAGRXCFWWETLI-POYBYMJQSA-N 0 0 178.191 1.251 10 0 ADAERN COc1cccc2c1N[C@@H](C)C(=O)N2 146704338 344041992 /nfs/dbraw/zinc/04/19/92/344041992.db2.gz OSUFPDULYHRRTE-LURJTMIESA-N 0 0 192.218 1.448 10 0 ADAERN COc1cccc2[nH]c(=O)c(C)nc12 146692973 344042043 /nfs/dbraw/zinc/04/20/43/344042043.db2.gz LEEPSMVHHOYTNR-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN Cc1cc2cc(F)ccc2[n+]([O-])c1 146729294 344042059 /nfs/dbraw/zinc/04/20/59/344042059.db2.gz ZUYRRSTYLIQADO-UHFFFAOYSA-N 0 0 177.178 1.921 10 0 ADAERN O=C1O[C@@H](CO)c2cc(F)ccc21 146690117 344042136 /nfs/dbraw/zinc/04/21/36/344042136.db2.gz SEMRSSQATKTZHP-QMMMGPOBSA-N 0 0 182.150 1.030 10 0 ADAERN CC(=O)N1CC(C(C)(C)C)C1 146767336 344042152 /nfs/dbraw/zinc/04/21/52/344042152.db2.gz MRVSZOVDWXORLM-UHFFFAOYSA-N 0 0 155.241 1.511 10 0 ADAERN COc1cccc2nc(C)c(=O)[nH]c12 146692361 344042183 /nfs/dbraw/zinc/04/21/83/344042183.db2.gz ZSTCEEVHVXTWHJ-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN Cc1ccc(/C=C/CC(N)=O)cc1 146687725 344042238 /nfs/dbraw/zinc/04/22/38/344042238.db2.gz DWHGSWNTEAKVBP-NSCUHMNNSA-N 0 0 175.231 1.884 10 0 ADAERN CC1(C)C(=O)CCC=C1CO 146786984 344042282 /nfs/dbraw/zinc/04/22/82/344042282.db2.gz WXXQMIBXKLYJHZ-UHFFFAOYSA-N 0 0 154.209 1.294 10 0 ADAERN C[C@@H](O)c1ncc(O)cc1Cl 146765223 344042290 /nfs/dbraw/zinc/04/22/90/344042290.db2.gz JDTWEFZACAZVPZ-SCSAIBSYSA-N 0 0 173.599 1.494 10 0 ADAERN CCc1cc(N)cc(F)c1 148230146 344051527 /nfs/dbraw/zinc/05/15/27/344051527.db2.gz FODPNDDSLFSLJS-UHFFFAOYSA-N 0 0 139.173 1.970 10 0 ADAERN CC[C@@H]1NC(=O)O[C@H]1c1nccs1 146822449 344042488 /nfs/dbraw/zinc/04/24/88/344042488.db2.gz XLWBMZPUODZMPM-NTSWFWBYSA-N 0 0 198.247 1.703 10 0 ADAERN CCC(O)(CC)c1nnc(N)s1 146927381 344042503 /nfs/dbraw/zinc/04/25/03/344042503.db2.gz IYFNUVHTWUTYIG-UHFFFAOYSA-N 0 0 187.268 1.128 10 0 ADAERN Cc1cc(C(F)F)no1 146853690 344042568 /nfs/dbraw/zinc/04/25/68/344042568.db2.gz XCOQOHKZZDGRMN-UHFFFAOYSA-N 0 0 133.097 1.921 10 0 ADAERN OCC[C@H]1Cc2ccccc2O1 146908740 344042585 /nfs/dbraw/zinc/04/25/85/344042585.db2.gz ZJMQZZXXIOGDIO-VIFPVBQESA-N 0 0 164.204 1.373 10 0 ADAERN CC1OC=C(C=O)C1=S 146852452 344042659 /nfs/dbraw/zinc/04/26/59/344042659.db2.gz YCAQLPBRQJFQDA-UHFFFAOYSA-N 0 0 142.179 1.689 10 0 ADAERN C[C@@H](Cc1cccc(F)c1)C(N)=O 146926237 344042732 /nfs/dbraw/zinc/04/27/32/344042732.db2.gz IBGURTNHYQGWIA-ZETCQYMHSA-N 0 0 181.210 1.490 10 0 ADAERN OCC[C@@H]1Cc2ccccc2O1 146908941 344042758 /nfs/dbraw/zinc/04/27/58/344042758.db2.gz ZJMQZZXXIOGDIO-SECBINFHSA-N 0 0 164.204 1.373 10 0 ADAERN COc1ncnc2c1ncn2C(C)C 146928020 344042761 /nfs/dbraw/zinc/04/27/61/344042761.db2.gz DBNNROBQWDRNQZ-UHFFFAOYSA-N 0 0 192.222 1.416 10 0 ADAERN CC1(C)COc2nnc(Cl)cc21 146934346 344042769 /nfs/dbraw/zinc/04/27/69/344042769.db2.gz OKYSQXUNOGRNQI-UHFFFAOYSA-N 0 0 184.626 1.800 10 0 ADAERN C[C@H](Cc1cccc(F)c1)C(N)=O 146926415 344042782 /nfs/dbraw/zinc/04/27/82/344042782.db2.gz IBGURTNHYQGWIA-SSDOTTSWSA-N 0 0 181.210 1.490 10 0 ADAERN N=C(c1ccccn1)C1CC1 146964939 344042809 /nfs/dbraw/zinc/04/28/09/344042809.db2.gz VSRHOHHZBDYEOF-UHFFFAOYSA-N 0 0 146.193 1.859 10 0 ADAERN Cc1cc(C(N)=O)nn1C(C)(C)C 146997740 344043098 /nfs/dbraw/zinc/04/30/98/344043098.db2.gz ATBRXSJVUAZMRV-UHFFFAOYSA-N 0 0 181.239 1.045 10 0 ADAERN CCC(=O)Cc1ccc(F)c(N)c1 147120712 344043102 /nfs/dbraw/zinc/04/31/02/344043102.db2.gz CGHIGMCRVFXZPJ-UHFFFAOYSA-N 0 0 181.210 1.930 10 0 ADAERN CC(C)[C@H]1CCN(C(N)=O)C1 147132333 344043148 /nfs/dbraw/zinc/04/31/48/344043148.db2.gz ODPXQAVBYHJQRX-ZETCQYMHSA-N 0 0 156.229 1.043 10 0 ADAERN CCOC(=O)c1cccc(C=O)c1F 146999584 344043160 /nfs/dbraw/zinc/04/31/60/344043160.db2.gz MNWOSVSZIOYODR-UHFFFAOYSA-N 0 0 196.177 1.815 10 0 ADAERN Clc1ccc(N2CCC2)nn1 147049833 344043174 /nfs/dbraw/zinc/04/31/74/344043174.db2.gz XFUXNFARTFEQGD-UHFFFAOYSA-N 0 0 169.615 1.340 10 0 ADAERN CC(=O)NC1CCC2(CC1)CC2 147010686 344043182 /nfs/dbraw/zinc/04/31/82/344043182.db2.gz UZOIOUBMEPYVBP-UHFFFAOYSA-N 0 0 167.252 1.845 10 0 ADAERN CC(C)[C@@H]1CCN(C(N)=O)C1 147132144 344043190 /nfs/dbraw/zinc/04/31/90/344043190.db2.gz ODPXQAVBYHJQRX-SSDOTTSWSA-N 0 0 156.229 1.043 10 0 ADAERN Cc1cccc(Cn2nccn2)c1 147075064 344043221 /nfs/dbraw/zinc/04/32/21/344043221.db2.gz GMUVMNUEOKBGQD-UHFFFAOYSA-N 0 0 173.219 1.635 10 0 ADAERN OC1(c2ccccc2)OCCCO1 147111431 344043230 /nfs/dbraw/zinc/04/32/30/344043230.db2.gz ABEWLWVZRWTWCH-UHFFFAOYSA-N 0 0 180.203 1.226 10 0 ADAERN C=CCC[C@@H]1C[C@H](C)C(=O)O1 147159974 344043328 /nfs/dbraw/zinc/04/33/28/344043328.db2.gz ZXSDHZGYVHAOFO-JGVFFNPUSA-N 0 0 154.209 1.904 10 0 ADAERN ONCCc1ccc2ccccc2n1 147069355 344043335 /nfs/dbraw/zinc/04/33/35/344043335.db2.gz XHQONFKHUQCCII-UHFFFAOYSA-N 0 0 188.230 1.756 10 0 ADAERN O=C1COC[C@@H]1OCc1ccccc1 147332159 344043506 /nfs/dbraw/zinc/04/35/06/344043506.db2.gz QMNAIDUKHKVICE-NSHDSACASA-N 0 0 192.214 1.171 10 0 ADAERN Cc1ccc(-n2nc(C)cc2N)cn1 147291983 344043515 /nfs/dbraw/zinc/04/35/15/344043515.db2.gz POYFCSBYBYRCMY-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN FC(F)CN[C@H]1CCCSC1 147335611 344043582 /nfs/dbraw/zinc/04/35/82/344043582.db2.gz DNABQFBLTAONRB-LURJTMIESA-N 0 0 181.251 1.737 10 0 ADAERN FC(F)CN[C@@H]1CCCSC1 147335835 344043717 /nfs/dbraw/zinc/04/37/17/344043717.db2.gz DNABQFBLTAONRB-ZCFIWIBFSA-N 0 0 181.251 1.737 10 0 ADAERN NC(=O)c1cc2[nH]ccc2s1 147353902 344043761 /nfs/dbraw/zinc/04/37/61/344043761.db2.gz GYRHMODRAIUADQ-UHFFFAOYSA-N 0 0 166.205 1.328 10 0 ADAERN COc1cccc2c1C[C@@H](CO)CO2 147372186 344043785 /nfs/dbraw/zinc/04/37/85/344043785.db2.gz LLTFQWFWQMCIOW-QMMMGPOBSA-N 0 0 194.230 1.239 10 0 ADAERN CC(C)(O)Cc1cccc(C=O)c1 147376900 344043820 /nfs/dbraw/zinc/04/38/20/344043820.db2.gz XFSMIDDPEQBMHT-UHFFFAOYSA-N 0 0 178.231 1.813 10 0 ADAERN CC(C)(O)/C=C\P(C)(C)=O 147190939 344043873 /nfs/dbraw/zinc/04/38/73/344043873.db2.gz JPKMEMYSGQTKST-WAYWQWQTSA-N 0 0 162.169 1.894 10 0 ADAERN Cc1cnnc(C)c1Cl 147501779 344044112 /nfs/dbraw/zinc/04/41/12/344044112.db2.gz ZWTVSTQJPQMTQO-UHFFFAOYSA-N 0 0 142.589 1.747 10 0 ADAERN C[C@H]1CCN[C@@H](C(=O)OC(C)(C)C)C1 147463983 344044136 /nfs/dbraw/zinc/04/41/36/344044136.db2.gz OQUBIZHHSFEVDY-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN CCCS(=O)(=O)N1CC[C@H]1CC 147561539 344044242 /nfs/dbraw/zinc/04/42/42/344044242.db2.gz LRVNCWXPTUBIQK-MRVPVSSYSA-N 0 0 191.296 1.211 10 0 ADAERN CCCS(=O)(=O)N1CC[C@@H]1CC 147561291 344044307 /nfs/dbraw/zinc/04/43/07/344044307.db2.gz LRVNCWXPTUBIQK-QMMMGPOBSA-N 0 0 191.296 1.211 10 0 ADAERN C[NH+](C)Cc1cccc(NC(N)=O)c1 147565827 344044310 /nfs/dbraw/zinc/04/43/10/344044310.db2.gz BGLXQAGTOPUQSM-UHFFFAOYSA-N 0 0 193.250 1.239 10 0 ADAERN COC(=O)/C=C/C1(C)CCOCC1 147464049 344044398 /nfs/dbraw/zinc/04/43/98/344044398.db2.gz TUCLSKUIXIWOTP-ONEGZZNKSA-N 0 0 184.235 1.532 10 0 ADAERN CC(=O)Nc1nc2cc(F)ccc2[nH]1 147621836 344044662 /nfs/dbraw/zinc/04/46/62/344044662.db2.gz CXXPPBPTPZGOPF-UHFFFAOYSA-N 0 0 193.181 1.660 10 0 ADAERN C=C(C)C(=O)N1C(=O)[C@@H]2CCC[C@@H]21 147655612 344044811 /nfs/dbraw/zinc/04/48/11/344044811.db2.gz LTOHYCJMUWCZBU-SFYZADRCSA-N 0 0 179.219 1.100 10 0 ADAERN CC[C@H]1C[C@H](O)C=CCO1 147745963 344044831 /nfs/dbraw/zinc/04/48/31/344044831.db2.gz FHWJFCUWVOSNPE-SFYZADRCSA-N 0 0 142.198 1.102 10 0 ADAERN Cc1[nH]nc(CC(C)C)c1CCO 147665973 344044856 /nfs/dbraw/zinc/04/48/56/344044856.db2.gz OPGGAGZNOVINSY-UHFFFAOYSA-N 0 0 182.267 1.451 10 0 ADAERN CC[C@H]1C[C@@H](O)C=CCO1 147745758 344044894 /nfs/dbraw/zinc/04/48/94/344044894.db2.gz FHWJFCUWVOSNPE-YUMQZZPRSA-N 0 0 142.198 1.102 10 0 ADAERN C=C(C)C(=O)N1C(=O)[C@H]2CCC[C@@H]21 147655118 344044953 /nfs/dbraw/zinc/04/49/53/344044953.db2.gz LTOHYCJMUWCZBU-YUMQZZPRSA-N 0 0 179.219 1.100 10 0 ADAERN C=C(C)C(=O)N1C(=O)[C@@H]2CCC[C@H]21 147655378 344045084 /nfs/dbraw/zinc/04/50/84/344045084.db2.gz LTOHYCJMUWCZBU-HTQZYQBOSA-N 0 0 179.219 1.100 10 0 ADAERN Cc1[nH]nc(C2CC2)c1CCO 147676239 344045095 /nfs/dbraw/zinc/04/50/95/344045095.db2.gz OGCHSFHYDREMDZ-UHFFFAOYSA-N 0 0 166.224 1.130 10 0 ADAERN C=C(C)C(=O)N1C(=O)[C@H]2CCC[C@H]21 147654888 344045119 /nfs/dbraw/zinc/04/51/19/344045119.db2.gz LTOHYCJMUWCZBU-JGVFFNPUSA-N 0 0 179.219 1.100 10 0 ADAERN CCn1cc(C#N)c(Cl)n1 147766141 344045129 /nfs/dbraw/zinc/04/51/29/344045129.db2.gz KDAPXVRKKOZFIV-UHFFFAOYSA-N 0 0 155.588 1.428 10 0 ADAERN OCC1(CO)[C@H]2CCC=CCC[C@@H]21 147880826 344045259 /nfs/dbraw/zinc/04/52/59/344045259.db2.gz IBRHRRQYQSRQEX-UWVGGRQHSA-N 0 0 182.263 1.334 10 0 ADAERN CCOC(=O)c1cc(C)nn1C(C)=O 147874133 344045306 /nfs/dbraw/zinc/04/53/06/344045306.db2.gz CMYUALJMCCCOSU-UHFFFAOYSA-N 0 0 196.206 1.028 10 0 ADAERN Cc1cc(Br)nnc1N 147828505 344045352 /nfs/dbraw/zinc/04/53/52/344045352.db2.gz GHIROJPDVCYLEP-UHFFFAOYSA-N 0 0 188.028 1.130 10 0 ADAERN Cc1cc(=O)c(C#N)c(Cl)[nH]1 147779805 344045392 /nfs/dbraw/zinc/04/53/92/344045392.db2.gz GNDBOBZRCGCXQB-UHFFFAOYSA-N 0 0 168.583 1.621 10 0 ADAERN OCC1=C(Cl)c2ncccc2NC1 147866382 344045486 /nfs/dbraw/zinc/04/54/86/344045486.db2.gz VKYHJAMISYYIEU-UHFFFAOYSA-N 0 0 196.637 1.449 10 0 ADAERN OCC1(CO)[C@@H]2CCC=CCC[C@H]21 147880605 344045569 /nfs/dbraw/zinc/04/55/69/344045569.db2.gz IBRHRRQYQSRQEX-NXEZZACHSA-N 0 0 182.263 1.334 10 0 ADAERN CCc1cc2c(cc1N)OCCO2 147906638 344045797 /nfs/dbraw/zinc/04/57/97/344045797.db2.gz QRINXQFDSDRAAC-UHFFFAOYSA-N 0 0 179.219 1.602 10 0 ADAERN FC(F)CNc1cc(Cl)ncn1 148003952 344045815 /nfs/dbraw/zinc/04/58/15/344045815.db2.gz AVYMPKXJSYNDLL-UHFFFAOYSA-N 0 0 193.584 1.807 10 0 ADAERN FC(F)CNc1nsnc1Cl 148000123 344045926 /nfs/dbraw/zinc/04/59/26/344045926.db2.gz NIIJTZKYSDIISJ-UHFFFAOYSA-N 0 0 199.613 1.869 10 0 ADAERN CCOC1(C(C)=O)CCOCC1 148653598 344056995 /nfs/dbraw/zinc/05/69/95/344056995.db2.gz RWAKDXTUHKIXHL-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN CCNC(=O)/C=C/C(C)C 148674026 344057144 /nfs/dbraw/zinc/05/71/44/344057144.db2.gz OGTFUTXBTDLEJF-AATRIKPKSA-N 0 0 141.214 1.335 10 0 ADAERN Cc1nc(C(=O)N(C)C)c(C)s1 147910141 344046144 /nfs/dbraw/zinc/04/61/44/344046144.db2.gz VSELJMLAFPMJKC-UHFFFAOYSA-N 0 0 184.264 1.462 10 0 ADAERN CC(C)(C)C(=O)C1(O)CCCC1 148006204 344046154 /nfs/dbraw/zinc/04/61/54/344046154.db2.gz FNVNETQCDGSUMI-UHFFFAOYSA-N 0 0 170.252 1.907 10 0 ADAERN CC1=[N+]([O-])C(C)(C)N(O)C1(C)C 148003052 344046258 /nfs/dbraw/zinc/04/62/58/344046258.db2.gz LMBVSXDVWBYGKM-UHFFFAOYSA-N 0 0 173.236 1.069 10 0 ADAERN CC(C)[C@H]1CCN(C=O)C1 148021112 344046403 /nfs/dbraw/zinc/04/64/03/344046403.db2.gz AHEDCHKJBZLYFU-QMMMGPOBSA-N 0 0 141.214 1.121 10 0 ADAERN CN(O)C(=O)NC1CCCCC1 148040501 344046417 /nfs/dbraw/zinc/04/64/17/344046417.db2.gz ANPMNVRITDOKOW-UHFFFAOYSA-N 0 0 172.228 1.350 10 0 ADAERN CC(C)[C@@H]1CCN(C=O)C1 148020906 344046466 /nfs/dbraw/zinc/04/64/66/344046466.db2.gz AHEDCHKJBZLYFU-MRVPVSSYSA-N 0 0 141.214 1.121 10 0 ADAERN CCN(C)c1ncc(Cl)cc1N 148022501 344046531 /nfs/dbraw/zinc/04/65/31/344046531.db2.gz DDOHNSLFXMWNSP-UHFFFAOYSA-N 0 0 185.658 1.773 10 0 ADAERN O=Cc1cccn1CC(F)F 148019616 344046644 /nfs/dbraw/zinc/04/66/44/344046644.db2.gz HQQZAKFMFBLOJN-UHFFFAOYSA-N 0 0 159.135 1.566 10 0 ADAERN Cc1cc2c[nH]nc2c(C)n1 148016561 344046649 /nfs/dbraw/zinc/04/66/49/344046649.db2.gz MAZKAFQKGKRFDT-UHFFFAOYSA-N 0 0 147.181 1.575 10 0 ADAERN CN(c1ncc(Cl)cc1N)C1CC1 148022906 344046682 /nfs/dbraw/zinc/04/66/82/344046682.db2.gz AHTJLYUYRXGTBY-UHFFFAOYSA-N 0 0 197.669 1.916 10 0 ADAERN COc1cc(F)c(F)c(CO)c1 148036378 344046780 /nfs/dbraw/zinc/04/67/80/344046780.db2.gz GEGWKVHWICWLEL-UHFFFAOYSA-N 0 0 174.146 1.466 10 0 ADAERN CC(C)(NC=O)C(F)(F)F 148088371 344047061 /nfs/dbraw/zinc/04/70/61/344047061.db2.gz SXNQKRJAOKNYCH-UHFFFAOYSA-N 0 0 155.119 1.073 10 0 ADAERN Cc1nccc2c[nH]nc12 148044631 344047188 /nfs/dbraw/zinc/04/71/88/344047188.db2.gz BVSNICZSOABKHZ-UHFFFAOYSA-N 0 0 133.154 1.266 10 0 ADAERN CC(C)C[C@@H](C)S(C)(=O)=O 148088650 344047222 /nfs/dbraw/zinc/04/72/22/344047222.db2.gz LMWPOIWXVPZXLT-SSDOTTSWSA-N 0 0 164.270 1.466 10 0 ADAERN CC(C)C[C@H](C)S(C)(=O)=O 148088826 344047226 /nfs/dbraw/zinc/04/72/26/344047226.db2.gz LMWPOIWXVPZXLT-ZETCQYMHSA-N 0 0 164.270 1.466 10 0 ADAERN CN(C)c1cccc(NC=O)c1 148083964 344047312 /nfs/dbraw/zinc/04/73/12/344047312.db2.gz UPSVCAOHEJFCAL-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN CON(C)c1ncc(Cl)cc1N 148055098 344047459 /nfs/dbraw/zinc/04/74/59/344047459.db2.gz NREBXOJAUAYAPP-UHFFFAOYSA-N 0 0 187.630 1.315 10 0 ADAERN C[C@H](C(=O)Nc1ncc[nH]1)C1CC1 148101598 344047790 /nfs/dbraw/zinc/04/77/90/344047790.db2.gz QCOTVIDQNCETGQ-LURJTMIESA-N 0 0 179.223 1.394 10 0 ADAERN COC(=O)Cc1ccc(Cl)cc1N 148095685 344047837 /nfs/dbraw/zinc/04/78/37/344047837.db2.gz AVIBYAFBKVVTNM-UHFFFAOYSA-N 0 0 199.637 1.638 10 0 ADAERN Cc1nnc(Cl)n1CC(F)F 148100085 344047868 /nfs/dbraw/zinc/04/78/68/344047868.db2.gz AHBCARZYZDLZBO-UHFFFAOYSA-N 0 0 181.573 1.505 10 0 ADAERN CCc1nnc(Cl)n1CC(F)F 148099400 344047935 /nfs/dbraw/zinc/04/79/35/344047935.db2.gz PCGMLOSFPCIPIA-UHFFFAOYSA-N 0 0 195.600 1.759 10 0 ADAERN Cn1cc(C(=O)C(C)(C)C)nn1 148106011 344048042 /nfs/dbraw/zinc/04/80/42/344048042.db2.gz IIKZBSGALVEOFP-UHFFFAOYSA-N 0 0 167.212 1.044 10 0 ADAERN COC(=O)[C@@H]1CC(=O)C[C@H](C)C1 148105450 344048097 /nfs/dbraw/zinc/04/80/97/344048097.db2.gz DKSHMDROPDHNSZ-RQJHMYQMSA-N 0 0 170.208 1.165 10 0 ADAERN Cn1cnc(C(=O)C(C)(C)C)c1 148105818 344048188 /nfs/dbraw/zinc/04/81/88/344048188.db2.gz BIXILVDIPNXNEX-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN Nc1ccc2cc(CO)cnc2c1 148096372 344048211 /nfs/dbraw/zinc/04/82/11/344048211.db2.gz LRVVVUXATAUVJA-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN CNC(=O)c1cccc(F)c1C 148111078 344048216 /nfs/dbraw/zinc/04/82/16/344048216.db2.gz GWJGGOZDIURQHH-UHFFFAOYSA-N 0 0 167.183 1.494 10 0 ADAERN C[C@@H](C(=O)Nc1ncc[nH]1)C1CC1 148101828 344048242 /nfs/dbraw/zinc/04/82/42/344048242.db2.gz QCOTVIDQNCETGQ-ZCFIWIBFSA-N 0 0 179.223 1.394 10 0 ADAERN C[C@@H]([NH3+])c1ccc(N2CCCC2)cn1 148110845 344048245 /nfs/dbraw/zinc/04/82/45/344048245.db2.gz JTDMXYLTTLEZMF-SECBINFHSA-N 0 0 191.278 1.702 10 0 ADAERN FC(F)Cn1cnnc1Cl 148099166 344048304 /nfs/dbraw/zinc/04/83/04/344048304.db2.gz NHRNTWNXBIQOLO-UHFFFAOYSA-N 0 0 167.546 1.197 10 0 ADAERN C/C(C(=O)[O-])=C1\C[C@H](C)[N@@H+](C)C1 148127588 344048498 /nfs/dbraw/zinc/04/84/98/344048498.db2.gz LNUPTMHPPHKZNO-WXIAHEHCSA-N 0 0 169.224 1.112 10 0 ADAERN C[C@@H]1C/C(=C(\F)C(=O)[O-])C[N@@H+]1C 148127848 344048503 /nfs/dbraw/zinc/04/85/03/344048503.db2.gz LNGQLMHRFQJAEQ-VEDIPHOLSA-N 0 0 173.187 1.019 10 0 ADAERN C[C@H]1C/C(=C(\F)C(=O)[O-])C[N@@H+]1C 148128068 344048645 /nfs/dbraw/zinc/04/86/45/344048645.db2.gz LNGQLMHRFQJAEQ-UNPHKUQDSA-N 0 0 173.187 1.019 10 0 ADAERN C/C(C(=O)[O-])=C1\C[C@@H](C)[N@@H+](C)C1 148127406 344048712 /nfs/dbraw/zinc/04/87/12/344048712.db2.gz LNUPTMHPPHKZNO-VALLEEFXSA-N 0 0 169.224 1.112 10 0 ADAERN CCCCn1c(Cl)nn(C)c1=O 148164663 344049319 /nfs/dbraw/zinc/04/93/19/344049319.db2.gz HKUVOVJQNHGIMU-UHFFFAOYSA-N 0 0 189.646 1.035 10 0 ADAERN CC(=O)c1nnc2c[nH]c(C)cc1-2 148153954 344049430 /nfs/dbraw/zinc/04/94/30/344049430.db2.gz RABKVTYWFCXGKI-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN CN(C)Nc1ncc(Cl)cc1F 148183505 344049957 /nfs/dbraw/zinc/04/99/57/344049957.db2.gz CGWXQMCPVGGJJF-UHFFFAOYSA-N 0 0 189.621 1.763 10 0 ADAERN CN(C)N=c1ncc(Cl)c[nH]1 148181466 344050195 /nfs/dbraw/zinc/05/01/95/344050195.db2.gz UOAVPFLGCJSJDB-UHFFFAOYSA-N 0 0 172.619 1.019 10 0 ADAERN CN(C)Nc1ccncc1Cl 148180775 344050207 /nfs/dbraw/zinc/05/02/07/344050207.db2.gz AOXAWRHCHFPWSH-UHFFFAOYSA-N 0 0 171.631 1.624 10 0 ADAERN CN(C)Nc1cnnc2ccccc12 148190452 344050242 /nfs/dbraw/zinc/05/02/42/344050242.db2.gz NKKUMWFFFWDZTI-UHFFFAOYSA-N 0 0 188.234 1.518 10 0 ADAERN CN(C)N=c1nc[nH]c2sccc12 148193776 344050271 /nfs/dbraw/zinc/05/02/71/344050271.db2.gz NERYSHHLLPOLIJ-UHFFFAOYSA-N 0 0 194.263 1.580 10 0 ADAERN O=C1CC2=C(CCC2)C(=S)N1 148178197 344050336 /nfs/dbraw/zinc/05/03/36/344050336.db2.gz VCJSAJKPVXYGNC-UHFFFAOYSA-N 0 0 167.233 1.565 10 0 ADAERN Cc1cc2[nH]c(=O)oc2cc1F 148183122 344050364 /nfs/dbraw/zinc/05/03/64/344050364.db2.gz KRBMCJXYJDIMLK-UHFFFAOYSA-N 0 0 167.139 1.569 10 0 ADAERN CN(C)N=c1[n-]c(C2CC2)ns1 148210160 344050650 /nfs/dbraw/zinc/05/06/50/344050650.db2.gz HFJQCFCUXXEQKY-UHFFFAOYSA-N 0 0 184.268 1.304 10 0 ADAERN CCOc1cccc(O)c1OC 148200809 344050900 /nfs/dbraw/zinc/05/09/00/344050900.db2.gz UPCNQMQWKHCUMX-UHFFFAOYSA-N 0 0 168.192 1.800 10 0 ADAERN CN(C)Nc1ccc(Cl)nn1 148213741 344050909 /nfs/dbraw/zinc/05/09/09/344050909.db2.gz RJCCMHPLARKIFK-UHFFFAOYSA-N 0 0 172.619 1.019 10 0 ADAERN NC(=O)c1cccc2c(N)cccc12 148225638 344051068 /nfs/dbraw/zinc/05/10/68/344051068.db2.gz DRPUUPLJFVYBFA-UHFFFAOYSA-N 0 0 186.214 1.521 10 0 ADAERN CC#CC[C@@H](C)C(=O)OCC 148230774 344051088 /nfs/dbraw/zinc/05/10/88/344051088.db2.gz MLWGWKDHIMOXOI-MRVPVSSYSA-N 0 0 154.209 1.599 10 0 ADAERN Cc1cc(=S)[nH]c(C2CC2)n1 148224710 344051179 /nfs/dbraw/zinc/05/11/79/344051179.db2.gz SGHSSORLXHDGNG-UHFFFAOYSA-N 0 0 166.249 1.951 10 0 ADAERN Cc1[nH]c(=NN(C)C)sc1C 148216857 344051308 /nfs/dbraw/zinc/05/13/08/344051308.db2.gz IVWGULVNUMDFAQ-UHFFFAOYSA-N 0 0 171.269 1.648 10 0 ADAERN Cc1c(N)ncnc1NCC(F)F 148226689 344051340 /nfs/dbraw/zinc/05/13/40/344051340.db2.gz PDUUWMGOBZDLBI-UHFFFAOYSA-N 0 0 188.181 1.044 10 0 ADAERN CC#CC[C@H](C)C(=O)OCC 148230586 344051496 /nfs/dbraw/zinc/05/14/96/344051496.db2.gz MLWGWKDHIMOXOI-QMMMGPOBSA-N 0 0 154.209 1.599 10 0 ADAERN CNc1cncc(NCC(F)F)n1 148218434 344051539 /nfs/dbraw/zinc/05/15/39/344051539.db2.gz XLDYTZVADOXNLF-UHFFFAOYSA-N 0 0 188.181 1.195 10 0 ADAERN CNc1nccc(NCC(F)F)n1 148232938 344051607 /nfs/dbraw/zinc/05/16/07/344051607.db2.gz NIDGIFNLVUZUGD-UHFFFAOYSA-N 0 0 188.181 1.195 10 0 ADAERN Cc1cc(N[C@H](C)C(=O)[O-])ccc1O 148263503 344051886 /nfs/dbraw/zinc/05/18/86/344051886.db2.gz VTJIRBPRDQYTKB-SSDOTTSWSA-N 0 0 195.218 1.586 10 0 ADAERN CCOC(=O)C1=NSCC1=O 148248699 344051979 /nfs/dbraw/zinc/05/19/79/344051979.db2.gz WESSJAATMMHBJD-UHFFFAOYSA-N 0 0 173.193 1.025 10 0 ADAERN Cc1cc(N[C@@H](C)C(=O)[O-])ccc1O 148263310 344051992 /nfs/dbraw/zinc/05/19/92/344051992.db2.gz VTJIRBPRDQYTKB-ZETCQYMHSA-N 0 0 195.218 1.586 10 0 ADAERN C[C@H]1OCC[C@]1(O)CCC(F)(F)F 148242485 344052016 /nfs/dbraw/zinc/05/20/16/344052016.db2.gz KXMXJJQKMJBFJV-RNFRBKRXSA-N 0 0 198.184 1.869 10 0 ADAERN C[C@H]1OCC[C@@]1(O)CCC(F)(F)F 148242182 344052080 /nfs/dbraw/zinc/05/20/80/344052080.db2.gz KXMXJJQKMJBFJV-RQJHMYQMSA-N 0 0 198.184 1.869 10 0 ADAERN C[C@@H]1OCC[C@]1(O)CCC(F)(F)F 148242627 344052090 /nfs/dbraw/zinc/05/20/90/344052090.db2.gz KXMXJJQKMJBFJV-NKWVEPMBSA-N 0 0 198.184 1.869 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)CCC(F)(F)F 148242319 344052194 /nfs/dbraw/zinc/05/21/94/344052194.db2.gz KXMXJJQKMJBFJV-BQBZGAKWSA-N 0 0 198.184 1.869 10 0 ADAERN CCn1cc[nH+]c1NN1CCCCC1 148268350 344052215 /nfs/dbraw/zinc/05/22/15/344052215.db2.gz MGLUJZKNBUZWFS-UHFFFAOYSA-N 0 0 194.282 1.716 10 0 ADAERN Nc1ncnc2sc([N+](=O)[O-])cc12 148249620 344052230 /nfs/dbraw/zinc/05/22/30/344052230.db2.gz RIJGJQDJTPACJC-UHFFFAOYSA-N 0 0 196.191 1.182 10 0 ADAERN c1[nH]nc2cnc(C3CC3)cc12 148280076 344052249 /nfs/dbraw/zinc/05/22/49/344052249.db2.gz OPYKWUPYURJXKS-UHFFFAOYSA-N 0 0 159.192 1.835 10 0 ADAERN COC(=O)[C@H]1C[C@H]1C1CC1 148292218 344052385 /nfs/dbraw/zinc/05/23/85/344052385.db2.gz HCAAZCDJJPPVNE-BQBZGAKWSA-N 0 0 140.182 1.206 10 0 ADAERN CCc1ccc(C(=O)C=O)s1 148318071 344052416 /nfs/dbraw/zinc/05/24/16/344052416.db2.gz MEEKYWCVGKPBSZ-UHFFFAOYSA-N 0 0 168.217 1.692 10 0 ADAERN Nc1cc(Cl)cnc1-n1cccn1 148290437 344052420 /nfs/dbraw/zinc/05/24/20/344052420.db2.gz JMBBSUXZUZKWJA-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN O=CC(=O)c1nc2ccccc2s1 148317607 344052474 /nfs/dbraw/zinc/05/24/74/344052474.db2.gz GPQPYUMWVBVZEK-UHFFFAOYSA-N 0 0 191.211 1.678 10 0 ADAERN Cc1ccc(C(=O)C=O)s1 148317387 344052517 /nfs/dbraw/zinc/05/25/17/344052517.db2.gz RFMGZLCPLMPZBA-UHFFFAOYSA-N 0 0 154.190 1.438 10 0 ADAERN Cc1cc(C(=O)C=O)c(C)o1 148317834 344052570 /nfs/dbraw/zinc/05/25/70/344052570.db2.gz WDZBWUIEKUCHIL-UHFFFAOYSA-N 0 0 152.149 1.278 10 0 ADAERN Cc1cc(NC2COC2)ccc1O 148303871 344052764 /nfs/dbraw/zinc/05/27/64/344052764.db2.gz HPAULUXNZFNXKG-UHFFFAOYSA-N 0 0 179.219 1.511 10 0 ADAERN Oc1cc(O)c2c(c1)CCCC2 148305351 344052768 /nfs/dbraw/zinc/05/27/68/344052768.db2.gz LVBXYWRVNMXVMT-UHFFFAOYSA-N 0 0 164.204 1.977 10 0 ADAERN CNc1ccc(NC=O)cc1 148310685 344052789 /nfs/dbraw/zinc/05/27/89/344052789.db2.gz WWTGJTSOIRLJDD-UHFFFAOYSA-N 0 0 150.181 1.297 10 0 ADAERN Nc1cc(Cl)cnc1-n1ccnc1 148289975 344052813 /nfs/dbraw/zinc/05/28/13/344052813.db2.gz ZTLKGKJCHNMZGB-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Cc1nc(CC[C@H]2CO2)cs1 148363353 344053820 /nfs/dbraw/zinc/05/38/20/344053820.db2.gz MCZXPFXWPSFMTP-QMMMGPOBSA-N 0 0 169.249 1.783 10 0 ADAERN CCn1nc(C)c2c1OCCN2 148331566 344053150 /nfs/dbraw/zinc/05/31/50/344053150.db2.gz LEYQUJFDPWFXFE-UHFFFAOYSA-N 0 0 167.212 1.016 10 0 ADAERN Cc1ccc(Cl)c(O)c1N 148332634 344053022 /nfs/dbraw/zinc/05/30/22/344053022.db2.gz VYDIBXYXLSWBAU-UHFFFAOYSA-N 0 0 157.600 1.936 10 0 ADAERN COc1cc2c(cc1F)NCCO2 148331161 344053039 /nfs/dbraw/zinc/05/30/39/344053039.db2.gz LHJLWKCFJJQZKO-UHFFFAOYSA-N 0 0 183.182 1.639 10 0 ADAERN CCCc1nn(C)c2c1NCCO2 148330549 344053047 /nfs/dbraw/zinc/05/30/47/344053047.db2.gz RLIKBCCCFAFKOG-UHFFFAOYSA-N 0 0 181.239 1.177 10 0 ADAERN c1csc(CC[C@@H]2CO2)n1 148333974 344053067 /nfs/dbraw/zinc/05/30/67/344053067.db2.gz OTDDKGCOQAFLEB-ZCFIWIBFSA-N 0 0 155.222 1.475 10 0 ADAERN Cc1nc(C)c(C(=O)C=O)s1 148319177 344053087 /nfs/dbraw/zinc/05/30/87/344053087.db2.gz OGAQGUDCOILTMK-UHFFFAOYSA-N 0 0 169.205 1.142 10 0 ADAERN CNc1cc(N)ccc1[N+](=O)[O-] 148323582 344053136 /nfs/dbraw/zinc/05/31/36/344053136.db2.gz ZPDCTLOGEDKMTI-UHFFFAOYSA-N 0 0 167.168 1.219 10 0 ADAERN N[C@H](c1ccccc1)c1csnn1 148323967 344053210 /nfs/dbraw/zinc/05/32/10/344053210.db2.gz LTKIZQVZSRXVKS-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN c1csc(CC[C@H]2CO2)n1 148334131 344053227 /nfs/dbraw/zinc/05/32/27/344053227.db2.gz OTDDKGCOQAFLEB-LURJTMIESA-N 0 0 155.222 1.475 10 0 ADAERN N[C@@H](c1ccccc1)c1csnn1 148323740 344053235 /nfs/dbraw/zinc/05/32/35/344053235.db2.gz LTKIZQVZSRXVKS-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN Cc1ccccc1-n1cc[nH]c1=O 148334651 344053263 /nfs/dbraw/zinc/05/32/63/344053263.db2.gz ODYOHFULSCYEMF-UHFFFAOYSA-N 0 0 174.203 1.474 10 0 ADAERN Cc1nc2cc[nH]c(=O)c2s1 148336682 344053304 /nfs/dbraw/zinc/05/33/04/344053304.db2.gz MJWXMYYBVBFFNB-UHFFFAOYSA-N 0 0 166.205 1.293 10 0 ADAERN Cc1nc(C(=O)C=O)c(C)s1 148318954 344053371 /nfs/dbraw/zinc/05/33/71/344053371.db2.gz HIAKXESCBUVMNE-UHFFFAOYSA-N 0 0 169.205 1.142 10 0 ADAERN CNc1ccc(F)c(C)n1 148360383 344053563 /nfs/dbraw/zinc/05/35/63/344053563.db2.gz FTXLPZATXABDIX-UHFFFAOYSA-N 0 0 140.161 1.571 10 0 ADAERN Cc1csc(CC[C@@H]2CO2)n1 148365113 344053710 /nfs/dbraw/zinc/05/37/10/344053710.db2.gz OEDNVNNQFDRROD-SSDOTTSWSA-N 0 0 169.249 1.783 10 0 ADAERN NNCc1ccc(Cl)cc1F 148359342 344053750 /nfs/dbraw/zinc/05/37/50/344053750.db2.gz AFDVRDWEXBEOAG-UHFFFAOYSA-N 0 0 174.606 1.442 10 0 ADAERN Cc1csc(CC[C@H]2CO2)n1 148365300 344053764 /nfs/dbraw/zinc/05/37/64/344053764.db2.gz OEDNVNNQFDRROD-ZETCQYMHSA-N 0 0 169.249 1.783 10 0 ADAERN CCCCOC(=O)[C@H](F)CF 148371576 344053770 /nfs/dbraw/zinc/05/37/70/344053770.db2.gz LAIHPFUYKJKTSI-ZCFIWIBFSA-N 0 0 166.167 1.637 10 0 ADAERN CCCCOC(=O)[C@@H](F)CF 148371376 344053778 /nfs/dbraw/zinc/05/37/78/344053778.db2.gz LAIHPFUYKJKTSI-LURJTMIESA-N 0 0 166.167 1.637 10 0 ADAERN O=C(c1cncs1)c1cncs1 148345036 344053781 /nfs/dbraw/zinc/05/37/81/344053781.db2.gz VJJVNHGWVIRYGZ-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN Cc1csc(C(=O)C=O)c1C 148374893 344053825 /nfs/dbraw/zinc/05/38/25/344053825.db2.gz QDKADVFXVVXZKV-UHFFFAOYSA-N 0 0 168.217 1.747 10 0 ADAERN COC(=O)c1ccc(C(C)=O)c(F)c1 148350061 344053876 /nfs/dbraw/zinc/05/38/76/344053876.db2.gz JVYMDXUYSNUJKF-UHFFFAOYSA-N 0 0 196.177 1.815 10 0 ADAERN Cc1nc(CC[C@@H]2CO2)cs1 148363137 344053882 /nfs/dbraw/zinc/05/38/82/344053882.db2.gz MCZXPFXWPSFMTP-MRVPVSSYSA-N 0 0 169.249 1.783 10 0 ADAERN CC(C)C(=O)[C@H]1CCO[C@@H]1C 148382179 344054019 /nfs/dbraw/zinc/05/40/19/344054019.db2.gz XNCOMVXDELMMOL-SFYZADRCSA-N 0 0 156.225 1.637 10 0 ADAERN C=CC(=O)Nc1ccc(O)c(C)c1 148413977 344054046 /nfs/dbraw/zinc/05/40/46/344054046.db2.gz IRABMTMVRYUHPZ-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN COC(=O)c1ccccc1[C@H](C)CO 148406309 344054124 /nfs/dbraw/zinc/05/41/24/344054124.db2.gz SHKDRDMCNKICEG-MRVPVSSYSA-N 0 0 194.230 1.569 10 0 ADAERN OCC1(CO[C@H]2CCCCO2)CC1 148422205 344054144 /nfs/dbraw/zinc/05/41/44/344054144.db2.gz ROMPQKKKVWYNQQ-VIFPVBQESA-N 0 0 186.251 1.302 10 0 ADAERN CCC(=O)C1(O)CCCC1 148432906 344054416 /nfs/dbraw/zinc/05/44/16/344054416.db2.gz FILYHYAFRCQCRE-UHFFFAOYSA-N 0 0 142.198 1.271 10 0 ADAERN O=C(OCF)[C@H](F)C(F)F 148405241 344054206 /nfs/dbraw/zinc/05/42/06/344054206.db2.gz WOIBEFCJSYKYGU-UWTATZPHSA-N 0 0 160.066 1.060 10 0 ADAERN COc1cc(O)cc(N)c1F 148409858 344054216 /nfs/dbraw/zinc/05/42/16/344054216.db2.gz NEFBSYLWNGAASY-UHFFFAOYSA-N 0 0 157.144 1.122 10 0 ADAERN COC(=O)c1ccccc1[C@@H](C)CO 148406075 344054274 /nfs/dbraw/zinc/05/42/74/344054274.db2.gz SHKDRDMCNKICEG-QMMMGPOBSA-N 0 0 194.230 1.569 10 0 ADAERN OCC1(CO[C@@H]2CCCCO2)CC1 148422011 344054292 /nfs/dbraw/zinc/05/42/92/344054292.db2.gz ROMPQKKKVWYNQQ-SECBINFHSA-N 0 0 186.251 1.302 10 0 ADAERN CC(C)C(=O)[C@@H]1CCO[C@H]1C 148381984 344054345 /nfs/dbraw/zinc/05/43/45/344054345.db2.gz XNCOMVXDELMMOL-JGVFFNPUSA-N 0 0 156.225 1.637 10 0 ADAERN O=C(OCF)[C@@H](F)C(F)F 148405015 344054348 /nfs/dbraw/zinc/05/43/48/344054348.db2.gz WOIBEFCJSYKYGU-REOHCLBHSA-N 0 0 160.066 1.060 10 0 ADAERN COc1cc(CO)c(F)c(OC)c1 148405080 344054387 /nfs/dbraw/zinc/05/43/87/344054387.db2.gz LQXLLFWWOFQFND-UHFFFAOYSA-N 0 0 186.182 1.335 10 0 ADAERN CC(C)c1[nH+]cc2ccc(CO)cn12 148421223 344054367 /nfs/dbraw/zinc/05/43/67/344054367.db2.gz BHKSMOPZYQJPPZ-UHFFFAOYSA-N 0 0 190.246 1.950 10 0 ADAERN CC(C)C(=O)[C@@H]1CCO[C@@H]1C 148381813 344054382 /nfs/dbraw/zinc/05/43/82/344054382.db2.gz XNCOMVXDELMMOL-HTQZYQBOSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)C(=O)[C@H]1CCO[C@H]1C 148382377 344054389 /nfs/dbraw/zinc/05/43/89/344054389.db2.gz XNCOMVXDELMMOL-YUMQZZPRSA-N 0 0 156.225 1.637 10 0 ADAERN CCC(=O)c1snnc1C 148436029 344054391 /nfs/dbraw/zinc/05/43/91/344054391.db2.gz ANVUFYCKQOIDQC-UHFFFAOYSA-N 0 0 156.210 1.439 10 0 ADAERN Cc1cc(C2(O)COC2)ccc1Cl 148429812 344054406 /nfs/dbraw/zinc/05/44/06/344054406.db2.gz SXCVICVHRPGOAK-UHFFFAOYSA-N 0 0 198.649 1.866 10 0 ADAERN CCn1ccc(C(F)(F)F)cc1=O 148398948 344054412 /nfs/dbraw/zinc/05/44/12/344054412.db2.gz CSBNAWQJSBJFFC-UHFFFAOYSA-N 0 0 191.152 1.887 10 0 ADAERN CC(C)C(=O)N1CCC[C@@](C)(F)C1 148472379 344054479 /nfs/dbraw/zinc/05/44/79/344054479.db2.gz JHAWOTGARXSHKH-SNVBAGLBSA-N 0 0 187.258 1.993 10 0 ADAERN C[C@H]1CC[C@@H](CNc2cn[nH]c2)O1 148481772 344054535 /nfs/dbraw/zinc/05/45/35/344054535.db2.gz LOJCYKKAUQBOCL-CBAPKCEASA-N 0 0 181.239 1.389 10 0 ADAERN OCC1(C2CCCCC2)COC1 148440231 344054548 /nfs/dbraw/zinc/05/45/48/344054548.db2.gz OKKVLEFAHISYEI-UHFFFAOYSA-N 0 0 170.252 1.576 10 0 ADAERN CCn1cc(NC[C@@H]2CCCO2)cn1 148482005 344054552 /nfs/dbraw/zinc/05/45/52/344054552.db2.gz KYXRGPQKHDFSTF-JTQLQIEISA-N 0 0 195.266 1.494 10 0 ADAERN CCn1cc(NC[C@H]2CCCO2)cn1 148482217 344054571 /nfs/dbraw/zinc/05/45/71/344054571.db2.gz 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/nfs/dbraw/zinc/05/49/22/344054922.db2.gz MUCZEKUJOCBOOL-UHFFFAOYSA-N 0 0 169.611 1.867 10 0 ADAERN C[C@@H]1CC[C@H](CNc2cn[nH]c2)O1 148481122 344054949 /nfs/dbraw/zinc/05/49/49/344054949.db2.gz LOJCYKKAUQBOCL-VXNVDRBHSA-N 0 0 181.239 1.389 10 0 ADAERN O=C1NCCCN1c1cccnc1 148530274 344055019 /nfs/dbraw/zinc/05/50/19/344055019.db2.gz HWBMBCXNCGQDJS-UHFFFAOYSA-N 0 0 177.207 1.001 10 0 ADAERN CCNC(=O)NOC(C)(C)C 148492447 344055090 /nfs/dbraw/zinc/05/50/90/344055090.db2.gz GYKDLXNQJMRZEF-UHFFFAOYSA-N 0 0 160.217 1.036 10 0 ADAERN CC(C)c1nccnc1F 148531255 344055098 /nfs/dbraw/zinc/05/50/98/344055098.db2.gz BBDHYBNBAKHFFF-UHFFFAOYSA-N 0 0 140.161 1.739 10 0 ADAERN CC(=O)c1cc(Br)c[nH]1 148528539 344055144 /nfs/dbraw/zinc/05/51/44/344055144.db2.gz KVEMOSATIHPLAM-UHFFFAOYSA-N 0 0 188.024 1.980 10 0 ADAERN CC(C)(C)OC(=O)[C@H](F)CF 148490306 344055198 /nfs/dbraw/zinc/05/51/98/344055198.db2.gz UFCIDAKTBBVNPQ-RXMQYKEDSA-N 0 0 166.167 1.636 10 0 ADAERN Cc1csc(=NN2CCOCC2)[nH]1 148500173 344055295 /nfs/dbraw/zinc/05/52/95/344055295.db2.gz JNEMBHNJOMBUOE-UHFFFAOYSA-N 0 0 199.279 1.111 10 0 ADAERN CC(C)(C)OC(=O)[C@@H](F)CF 148490180 344055306 /nfs/dbraw/zinc/05/53/06/344055306.db2.gz UFCIDAKTBBVNPQ-YFKPBYRVSA-N 0 0 166.167 1.636 10 0 ADAERN C=C1CCC(C(N)=O)CC1 148510787 344055357 /nfs/dbraw/zinc/05/53/57/344055357.db2.gz PCYZDTILOPUMBA-UHFFFAOYSA-N 0 0 139.198 1.218 10 0 ADAERN CCc1cc(F)ccn1 148508275 344055414 /nfs/dbraw/zinc/05/54/14/344055414.db2.gz RQOWNUUTTCJVKI-UHFFFAOYSA-N 0 0 125.146 1.783 10 0 ADAERN C[C@H](O)[C@H](C)[C@@H](C)[C@@H](C)O 148549728 344055681 /nfs/dbraw/zinc/05/56/81/344055681.db2.gz PXNAPGDENOWLRW-XUTVFYLZSA-N 0 0 146.230 1.020 10 0 ADAERN COc1cc(C)c(OC)c(O)c1 148571093 344055720 /nfs/dbraw/zinc/05/57/20/344055720.db2.gz UQFCOJDIWNIEDB-UHFFFAOYSA-N 0 0 168.192 1.718 10 0 ADAERN Cc1cc(N)nc(SC(F)F)n1 148613609 344056524 /nfs/dbraw/zinc/05/65/24/344056524.db2.gz SCXMWLDAACVWEM-UHFFFAOYSA-N 0 0 191.206 1.682 10 0 ADAERN COC(=O)c1cc(OC)ncc1C 148552695 344055884 /nfs/dbraw/zinc/05/58/84/344055884.db2.gz REHJRGYFWQZKDG-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN Nc1ccnc2sncc12 148576404 344055940 /nfs/dbraw/zinc/05/59/40/344055940.db2.gz DNYMYSXPMVGXRR-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN COCC(=O)N(C(C)C)C(C)C 148548346 344055962 /nfs/dbraw/zinc/05/59/62/344055962.db2.gz FUCAASDQYZSKNG-UHFFFAOYSA-N 0 0 173.256 1.278 10 0 ADAERN CCc1ccc2c(c1O)CCO2 148560886 344056016 /nfs/dbraw/zinc/05/60/16/344056016.db2.gz RSZKKRKPOPIXER-UHFFFAOYSA-N 0 0 164.204 1.890 10 0 ADAERN Cn1c(=S)[nH]c2cc(Cl)cnc21 148566688 344056038 /nfs/dbraw/zinc/05/60/38/344056038.db2.gz BIIUVILBGXYXFT-UHFFFAOYSA-N 0 0 199.666 1.910 10 0 ADAERN COC[C@H](C)C(=O)OC(C)C 148621468 344056382 /nfs/dbraw/zinc/05/63/82/344056382.db2.gz JZWPKXOULFQSQI-ZETCQYMHSA-N 0 0 160.213 1.221 10 0 ADAERN CCCCc1cn(CC)nn1 148616760 344056471 /nfs/dbraw/zinc/05/64/71/344056471.db2.gz HQVQUAPHIYFQDU-UHFFFAOYSA-N 0 0 153.229 1.641 10 0 ADAERN COC(=O)Nc1ccc(O)c(C)c1 148614190 344056496 /nfs/dbraw/zinc/05/64/96/344056496.db2.gz AXMKMGNWFHVIDM-UHFFFAOYSA-N 0 0 181.191 1.879 10 0 ADAERN CC(C)C(O)(c1cncnc1)C(C)C 148621406 344056521 /nfs/dbraw/zinc/05/65/21/344056521.db2.gz XIKXKKWMCCJYPN-UHFFFAOYSA-N 0 0 194.278 1.976 10 0 ADAERN COC[C@@H](C)C(=O)OC(C)C 148621664 344056531 /nfs/dbraw/zinc/05/65/31/344056531.db2.gz JZWPKXOULFQSQI-SSDOTTSWSA-N 0 0 160.213 1.221 10 0 ADAERN S=c1[nH]ccn1N1CCCCC1 148622145 344056534 /nfs/dbraw/zinc/05/65/34/344056534.db2.gz RCSZBQGWAAKZTH-UHFFFAOYSA-N 0 0 183.280 1.294 10 0 ADAERN COc1ccc(-c2cn[nH]c2)nc1 148645898 344056961 /nfs/dbraw/zinc/05/69/61/344056961.db2.gz AMWSFBIDTJVSMI-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN CN1CCCC[C@H]1c1ncco1 148640429 344056981 /nfs/dbraw/zinc/05/69/81/344056981.db2.gz MCPJQXCKAURWLL-QMMMGPOBSA-N 0 0 166.224 1.831 10 0 ADAERN COc1cc(C)c(OC)c(OC)c1O 148676465 344057094 /nfs/dbraw/zinc/05/70/94/344057094.db2.gz OKIUHFUMJVLVPK-UHFFFAOYSA-N 0 0 198.218 1.726 10 0 ADAERN O[C@H]1CCOc2cccc(F)c21 148670765 344057058 /nfs/dbraw/zinc/05/70/58/344057058.db2.gz DTBIXAHLBBXVQO-ZETCQYMHSA-N 0 0 168.167 1.642 10 0 ADAERN CCC(=O)c1ccc(C)cn1 148649172 344057112 /nfs/dbraw/zinc/05/71/12/344057112.db2.gz LVPBVDQDYKSLJL-UHFFFAOYSA-N 0 0 149.193 1.983 10 0 ADAERN CCOC1(C(C)=O)CCCC1 148652096 344057137 /nfs/dbraw/zinc/05/71/37/344057137.db2.gz AYDQSVMPIBXUCC-UHFFFAOYSA-N 0 0 156.225 1.925 10 0 ADAERN CCC(CC)(OC)C(C)=O 148626540 344057162 /nfs/dbraw/zinc/05/71/62/344057162.db2.gz BQUGLCVRWIYSIS-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN c1cn2cc(C[NH2+]C3CC3)nc2s1 148656651 344057166 /nfs/dbraw/zinc/05/71/66/344057166.db2.gz FKFQDLQVFDEONJ-UHFFFAOYSA-N 0 0 193.275 1.648 10 0 ADAERN O[C@@H]1CCOc2cccc(F)c21 148670557 344057193 /nfs/dbraw/zinc/05/71/93/344057193.db2.gz DTBIXAHLBBXVQO-SSDOTTSWSA-N 0 0 168.167 1.642 10 0 ADAERN CNC(=O)C(C)(C)c1cccnc1 148640065 344057235 /nfs/dbraw/zinc/05/72/35/344057235.db2.gz CKYONMIMLIOVDP-UHFFFAOYSA-N 0 0 178.235 1.105 10 0 ADAERN CC[C@@H](O)C(=O)c1ccsc1 148683820 344057582 /nfs/dbraw/zinc/05/75/82/344057582.db2.gz FAZRHAPTSVVKOK-SSDOTTSWSA-N 0 0 170.233 1.702 10 0 ADAERN NC(=S)Cc1cn2ccsc2n1 148709335 344057640 /nfs/dbraw/zinc/05/76/40/344057640.db2.gz REWRQFAAAILBSN-UHFFFAOYSA-N 0 0 197.288 1.224 10 0 ADAERN CCNc1cnnc(Cl)c1 148699163 344057655 /nfs/dbraw/zinc/05/76/55/344057655.db2.gz BGTZWQMXQHYZNG-UHFFFAOYSA-N 0 0 157.604 1.562 10 0 ADAERN CCNc1cn[nH+]c(NCC)c1 148699374 344057663 /nfs/dbraw/zinc/05/76/63/344057663.db2.gz LASDVNKVORVWRK-UHFFFAOYSA-N 0 0 166.228 1.340 10 0 ADAERN CNc1nnc2ccccc2n1 148710633 344057670 /nfs/dbraw/zinc/05/76/70/344057670.db2.gz RJNGEAWFGPSUDC-UHFFFAOYSA-N 0 0 160.180 1.067 10 0 ADAERN O=C(C1CCCCC1)[C@H]1C[NH2+]CCO1 148714976 344057743 /nfs/dbraw/zinc/05/77/43/344057743.db2.gz RYMPPKQOUQHSQO-SNVBAGLBSA-N 0 0 197.278 1.124 10 0 ADAERN CCC(=O)C1(OC)CCOCC1 148692086 344057753 /nfs/dbraw/zinc/05/77/53/344057753.db2.gz JDPFBTNZQSQQLC-UHFFFAOYSA-N 0 0 172.224 1.161 10 0 ADAERN O=C(C1CCCCC1)[C@@H]1C[NH2+]CCO1 148714767 344057829 /nfs/dbraw/zinc/05/78/29/344057829.db2.gz RYMPPKQOUQHSQO-JTQLQIEISA-N 0 0 197.278 1.124 10 0 ADAERN CCC(=O)C1(OC)CCC1 148688677 344057835 /nfs/dbraw/zinc/05/78/35/344057835.db2.gz PCGQEKFECHMCQY-UHFFFAOYSA-N 0 0 142.198 1.535 10 0 ADAERN CCC(=O)c1nc(C)c(C)[nH]1 148686962 344057844 /nfs/dbraw/zinc/05/78/44/344057844.db2.gz GXRPUFXYYWRVTB-UHFFFAOYSA-N 0 0 152.197 1.619 10 0 ADAERN CCn1cc(C[NH3+])c(Cl)n1 148705764 344057865 /nfs/dbraw/zinc/05/78/65/344057865.db2.gz LIUZDIPTYIVCDU-UHFFFAOYSA-N 0 0 159.620 1.015 10 0 ADAERN OCCOC/C=C/c1ccccc1 148726864 344057880 /nfs/dbraw/zinc/05/78/80/344057880.db2.gz VESSUVYGYNWKQE-QPJJXVBHSA-N 0 0 178.231 1.709 10 0 ADAERN Cc1ccc2c(c1)[nH+]c(N)n2N(C)C 148729564 344057902 /nfs/dbraw/zinc/05/79/02/344057902.db2.gz SPPLKWUIBNBOMN-UHFFFAOYSA-N 0 0 190.250 1.125 10 0 ADAERN CC[C@H](O)C(=O)c1ccsc1 148683595 344057944 /nfs/dbraw/zinc/05/79/44/344057944.db2.gz FAZRHAPTSVVKOK-ZETCQYMHSA-N 0 0 170.233 1.702 10 0 ADAERN CC(=O)[C@@H]1CCc2ccccc2O1 148731747 344058190 /nfs/dbraw/zinc/05/81/90/344058190.db2.gz RKUBTKFLMDQAFI-JTQLQIEISA-N 0 0 176.215 1.969 10 0 ADAERN CCCCC(=O)Nc1ncc(N)cn1 148734364 344058209 /nfs/dbraw/zinc/05/82/09/344058209.db2.gz ZRFAHJSTBNKYQZ-UHFFFAOYSA-N 0 0 194.238 1.188 10 0 ADAERN Cn1c(N)nc2cc(Cl)cnc21 148763270 344058258 /nfs/dbraw/zinc/05/82/58/344058258.db2.gz FPWMFSWMNSSZAW-UHFFFAOYSA-N 0 0 182.614 1.204 10 0 ADAERN CC1CCC(N2CCCNC2=O)CC1 148735865 344058272 /nfs/dbraw/zinc/05/82/72/344058272.db2.gz KEJSOFFVXYHSQK-UHFFFAOYSA-N 0 0 196.294 1.980 10 0 ADAERN CC(=O)[C@H]1CCc2ccccc2O1 148731944 344058399 /nfs/dbraw/zinc/05/83/99/344058399.db2.gz RKUBTKFLMDQAFI-SNVBAGLBSA-N 0 0 176.215 1.969 10 0 ADAERN Cc1ccc2ccc(=O)[nH]c2c1F 148745996 344058415 /nfs/dbraw/zinc/05/84/15/344058415.db2.gz QYEMJHBGOKDYKV-UHFFFAOYSA-N 0 0 177.178 1.976 10 0 ADAERN CCn1c(N)nc2cc(Cl)cnc21 148774156 344058562 /nfs/dbraw/zinc/05/85/62/344058562.db2.gz VZRKDLYQWSNUOL-UHFFFAOYSA-N 0 0 196.641 1.687 10 0 ADAERN C/C=C\OC(=O)c1ccoc1 148744861 344058582 /nfs/dbraw/zinc/05/85/82/344058582.db2.gz QIODFCRIIYJQFL-RQOWECAXSA-N 0 0 152.149 1.970 10 0 ADAERN C=COC/C=C\C 148789660 344058802 /nfs/dbraw/zinc/05/88/02/344058802.db2.gz PSPHUEMBSBTXKQ-HYXAFXHYSA-N 0 0 98.145 1.723 10 0 ADAERN C[C@H](O)/C=C/CCC[C@H](C)O 148796121 344058829 /nfs/dbraw/zinc/05/88/29/344058829.db2.gz JQDJVHQDWJSZCW-AIZLHNLISA-N 0 0 158.241 1.475 10 0 ADAERN CC(=O)CCc1cn2ccsc2n1 148801324 344058849 /nfs/dbraw/zinc/05/88/49/344058849.db2.gz FOBVKDQFAAMLQM-UHFFFAOYSA-N 0 0 194.259 1.917 10 0 ADAERN C/C=C/C[C@H]1COCCC1=O 148804477 344058853 /nfs/dbraw/zinc/05/88/53/344058853.db2.gz CMHGILAKXDHFIX-SGJFDWMWSA-N 0 0 154.209 1.558 10 0 ADAERN C[C@@H]1CC[C@@H](CNn2cccc2)O1 148786757 344058856 /nfs/dbraw/zinc/05/88/56/344058856.db2.gz IGIBLHNEJBLVFM-ZJUUUORDSA-N 0 0 180.251 1.599 10 0 ADAERN COc1ccc(N)c(-c2nc[nH]n2)c1 148811044 344058879 /nfs/dbraw/zinc/05/88/79/344058879.db2.gz PNBRRRUVPPQTMX-UHFFFAOYSA-N 0 0 190.206 1.063 10 0 ADAERN Cc1cc(N)ccc1O[C@H](C)[C@@H](C)O 148784549 344058890 /nfs/dbraw/zinc/05/88/90/344058890.db2.gz VHYLWCCKSQBKSB-RKDXNWHRSA-N 0 0 195.262 1.725 10 0 ADAERN C[C@H]1CC[C@@H](CNn2cccc2)O1 148786926 344058935 /nfs/dbraw/zinc/05/89/35/344058935.db2.gz IGIBLHNEJBLVFM-UWVGGRQHSA-N 0 0 180.251 1.599 10 0 ADAERN C[C@@H](O)/C=C/CCC[C@@H](C)O 148795688 344058969 /nfs/dbraw/zinc/05/89/69/344058969.db2.gz JQDJVHQDWJSZCW-FVOAXITGSA-N 0 0 158.241 1.475 10 0 ADAERN C[C@H]1CC[C@H](CNn2cccc2)O1 148786507 344058978 /nfs/dbraw/zinc/05/89/78/344058978.db2.gz IGIBLHNEJBLVFM-VHSXEESVSA-N 0 0 180.251 1.599 10 0 ADAERN C=CC(=O)Nc1ccc(C=O)cc1 148793942 344058984 /nfs/dbraw/zinc/05/89/84/344058984.db2.gz BZPACYLJNLMLHA-UHFFFAOYSA-N 0 0 175.187 1.624 10 0 ADAERN Cc1cc(N)ccc1O[C@H](C)[C@H](C)O 148784919 344058997 /nfs/dbraw/zinc/05/89/97/344058997.db2.gz VHYLWCCKSQBKSB-DTWKUNHWSA-N 0 0 195.262 1.725 10 0 ADAERN Cc1cc(N)ccc1O[C@@H](C)[C@@H](C)O 148784379 344059024 /nfs/dbraw/zinc/05/90/24/344059024.db2.gz VHYLWCCKSQBKSB-BDAKNGLRSA-N 0 0 195.262 1.725 10 0 ADAERN Cc1cc(N)ccc1O[C@@H](C)[C@H](C)O 148784706 344059067 /nfs/dbraw/zinc/05/90/67/344059067.db2.gz VHYLWCCKSQBKSB-IUCAKERBSA-N 0 0 195.262 1.725 10 0 ADAERN Fc1cc(=S)cc[nH]1 148784187 344059114 /nfs/dbraw/zinc/05/91/14/344059114.db2.gz YBQXKYLRISIJBE-UHFFFAOYSA-N 0 0 129.159 1.509 10 0 ADAERN C1CCN(NC2=[NH+]CCCS2)CC1 148816658 344059132 /nfs/dbraw/zinc/05/91/32/344059132.db2.gz DRXSOXWVQUHKNT-UHFFFAOYSA-N 0 0 199.323 1.470 10 0 ADAERN C[C@@H]1CC[C@H](CNn2cccc2)O1 148786317 344059164 /nfs/dbraw/zinc/05/91/64/344059164.db2.gz IGIBLHNEJBLVFM-NXEZZACHSA-N 0 0 180.251 1.599 10 0 ADAERN C[C@H](O)/C=C/CCC[C@@H](C)O 148795901 344059168 /nfs/dbraw/zinc/05/91/68/344059168.db2.gz JQDJVHQDWJSZCW-HNEWHRDISA-N 0 0 158.241 1.475 10 0 ADAERN C/C=C/C[C@@H]1COCCC1=O 148804100 344059278 /nfs/dbraw/zinc/05/92/78/344059278.db2.gz CMHGILAKXDHFIX-UFUPEUMYSA-N 0 0 154.209 1.558 10 0 ADAERN Cc1nc(Cl)nc(NC2CC2)n1 148867036 344059537 /nfs/dbraw/zinc/05/95/37/344059537.db2.gz UTQMJAKKVFHHDI-UHFFFAOYSA-N 0 0 184.630 1.408 10 0 ADAERN CC(C)Cc1nc2cncnc2[nH]1 148849915 344059556 /nfs/dbraw/zinc/05/95/56/344059556.db2.gz YUBZZSMVANKROX-UHFFFAOYSA-N 0 0 176.223 1.551 10 0 ADAERN Cc1ccc([S@](=O)N(C)C)cc1 148848830 344059570 /nfs/dbraw/zinc/05/95/70/344059570.db2.gz NPZOFLLFFNIYON-GFCCVEGCSA-N 0 0 183.276 1.579 10 0 ADAERN CNc1cc(CO)ccc1Cl 148851153 344059592 /nfs/dbraw/zinc/05/95/92/344059592.db2.gz PEZFTJXZWQSCOS-UHFFFAOYSA-N 0 0 171.627 1.874 10 0 ADAERN Cc1ccc(NC[C@H]2CCCO2)cn1 148829680 344059648 /nfs/dbraw/zinc/05/96/48/344059648.db2.gz QQOVMTVVGVBBSY-LLVKDONJSA-N 0 0 192.262 1.981 10 0 ADAERN O=c1cc(Cc2ccccc2)cc[nH]1 148849418 344059693 /nfs/dbraw/zinc/05/96/93/344059693.db2.gz XWMVQJYBQLXEIW-UHFFFAOYSA-N 0 0 185.226 1.966 10 0 ADAERN NC(=O)CC/C=C\c1ccccc1 148869469 344059743 /nfs/dbraw/zinc/05/97/43/344059743.db2.gz ICMSWXWBIBWTNB-YWEYNIOJSA-N 0 0 175.231 1.965 10 0 ADAERN CCC1CCC(C(=O)NC)CC1 148847759 344059803 /nfs/dbraw/zinc/05/98/03/344059803.db2.gz STUWTHKFIFXVOR-UHFFFAOYSA-N 0 0 169.268 1.949 10 0 ADAERN S=c1nnc2ccccc2[nH]1 148842063 344059831 /nfs/dbraw/zinc/05/98/31/344059831.db2.gz FNCSCJHAYCDTIR-UHFFFAOYSA-N 0 0 163.205 1.687 10 0 ADAERN Cc1ccc([S@@](=O)N(C)C)cc1 148849051 344059872 /nfs/dbraw/zinc/05/98/72/344059872.db2.gz NPZOFLLFFNIYON-LBPRGKRZSA-N 0 0 183.276 1.579 10 0 ADAERN Cc1ccc(NC[C@@H]2CCCO2)cn1 148829469 344059924 /nfs/dbraw/zinc/05/99/24/344059924.db2.gz QQOVMTVVGVBBSY-NSHDSACASA-N 0 0 192.262 1.981 10 0 ADAERN CC(C)CN1CCCCO1 148848764 344059987 /nfs/dbraw/zinc/05/99/87/344059987.db2.gz UNIIAHOKNFGSKH-UHFFFAOYSA-N 0 0 143.230 1.670 10 0 ADAERN COc1c(C)ccc(N)c1F 149949767 344073917 /nfs/dbraw/zinc/07/39/17/344073917.db2.gz VZSGINDZVPMFKZ-UHFFFAOYSA-N 0 0 155.172 1.725 10 0 ADAERN CCN1CC(=O)N(CC(C)(C)C)C1=O 148925155 344060371 /nfs/dbraw/zinc/06/03/71/344060371.db2.gz GKHHQKLDLBWOKO-UHFFFAOYSA-N 0 0 198.266 1.317 10 0 ADAERN C=Cc1nccn1CCC 148896422 344060239 /nfs/dbraw/zinc/06/02/39/344060239.db2.gz BVBAEIPCBYXMBQ-UHFFFAOYSA-N 0 0 136.198 1.936 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C[C@@H](O)c1ccc(-n2cccn2)cn1 149783742 344071599 /nfs/dbraw/zinc/07/15/99/344071599.db2.gz ZGNDKNMRNABVKW-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN C[C@H]1CC[C@H](c2nsc(N)n2)O1 149823581 344071947 /nfs/dbraw/zinc/07/19/47/344071947.db2.gz KGZPMYQSXBCJBK-CRCLSJGQSA-N 0 0 185.252 1.360 10 0 ADAERN Nc1snc2ccncc12 149832774 344071948 /nfs/dbraw/zinc/07/19/48/344071948.db2.gz LXWQNARNUMFCCR-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN CCCC[C@@H]1CC(=O)CO1 149821041 344071959 /nfs/dbraw/zinc/07/19/59/344071959.db2.gz QVJKIWHOKBCHCE-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN Cc1cc(=O)[nH]c([C@H]2CC[C@@H](C)O2)n1 149824757 344071961 /nfs/dbraw/zinc/07/19/61/344071961.db2.gz ASIODRLUEPDNAM-HTQZYQBOSA-N 0 0 194.234 1.318 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2CC[C@@H](C)O2)n1 149824634 344071965 /nfs/dbraw/zinc/07/19/65/344071965.db2.gz ASIODRLUEPDNAM-SFYZADRCSA-N 0 0 194.234 1.318 10 0 ADAERN COC(=O)[C@H]1C[C@@H]1c1cccnc1 149833291 344071975 /nfs/dbraw/zinc/07/19/75/344071975.db2.gz TVWVRKFZYVEIFU-BDAKNGLRSA-N 0 0 177.203 1.358 10 0 ADAERN C[C@@H]1CC[C@H](c2nccc(=O)[nH]2)O1 149827617 344071985 /nfs/dbraw/zinc/07/19/85/344071985.db2.gz YLIURPDHFMRKBA-RNFRBKRXSA-N 0 0 180.207 1.010 10 0 ADAERN COC(=O)Oc1cccc(N)c1 149838419 344072004 /nfs/dbraw/zinc/07/20/04/344072004.db2.gz KAIOWJASXPMGDK-UHFFFAOYSA-N 0 0 167.164 1.414 10 0 ADAERN C[C@H]1CC[C@H](c2nccc(=O)[nH]2)O1 149827808 344072022 /nfs/dbraw/zinc/07/20/22/344072022.db2.gz YLIURPDHFMRKBA-NKWVEPMBSA-N 0 0 180.207 1.010 10 0 ADAERN C[C@@H]1CC[C@@H](c2ncc(N)cn2)O1 149815699 344072034 /nfs/dbraw/zinc/07/20/34/344072034.db2.gz JQULLYGXJAADLN-SVRRBLITSA-N 0 0 179.223 1.299 10 0 ADAERN C[C@@H]1CC[C@H](c2ncc(N)cn2)O1 149815278 344072044 /nfs/dbraw/zinc/07/20/44/344072044.db2.gz JQULLYGXJAADLN-HTRCEHHLSA-N 0 0 179.223 1.299 10 0 ADAERN O=Cc1ccc(C2(O)CC2)s1 149855114 344072118 /nfs/dbraw/zinc/07/21/18/344072118.db2.gz JXZGQIWFRATICQ-UHFFFAOYSA-N 0 0 168.217 1.542 10 0 ADAERN C[C@@H]1CC[C@@H](c2nccc(=O)[nH]2)O1 149828037 344072139 /nfs/dbraw/zinc/07/21/39/344072139.db2.gz YLIURPDHFMRKBA-RQJHMYQMSA-N 0 0 180.207 1.010 10 0 ADAERN CCCC[C@H]1CC(=O)CO1 149821228 344072161 /nfs/dbraw/zinc/07/21/61/344072161.db2.gz QVJKIWHOKBCHCE-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN Cc1cc(=O)[nH]c([C@H]2CC[C@H](C)O2)n1 149824516 344072180 /nfs/dbraw/zinc/07/21/80/344072180.db2.gz ASIODRLUEPDNAM-JGVFFNPUSA-N 0 0 194.234 1.318 10 0 ADAERN C[C@H]1CC[C@@H](c2nsc(N)n2)O1 149824011 344072186 /nfs/dbraw/zinc/07/21/86/344072186.db2.gz KGZPMYQSXBCJBK-WHFBIAKZSA-N 0 0 185.252 1.360 10 0 ADAERN C[C@@H]1CC[C@H](c2nsc(N)n2)O1 149823352 344072228 /nfs/dbraw/zinc/07/22/28/344072228.db2.gz KGZPMYQSXBCJBK-RFZPGFLSSA-N 0 0 185.252 1.360 10 0 ADAERN C[C@H]1CC[C@@H](c2nccc(=O)[nH]2)O1 149828239 344072235 /nfs/dbraw/zinc/07/22/35/344072235.db2.gz YLIURPDHFMRKBA-BQBZGAKWSA-N 0 0 180.207 1.010 10 0 ADAERN C[C@H]1CC[C@@H](c2ncc(N)cn2)O1 149815911 344072259 /nfs/dbraw/zinc/07/22/59/344072259.db2.gz JQULLYGXJAADLN-XPUUQOCRSA-N 0 0 179.223 1.299 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2CC[C@H](C)O2)n1 149824234 344072263 /nfs/dbraw/zinc/07/22/63/344072263.db2.gz ASIODRLUEPDNAM-YUMQZZPRSA-N 0 0 194.234 1.318 10 0 ADAERN C[C@H]1CC[C@H](c2ncc(N)cn2)O1 149815488 344072310 /nfs/dbraw/zinc/07/23/10/344072310.db2.gz JQULLYGXJAADLN-POYBYMJQSA-N 0 0 179.223 1.299 10 0 ADAERN CC(=O)OCCc1ccc(C=O)s1 149836200 344072322 /nfs/dbraw/zinc/07/23/22/344072322.db2.gz PFAGPCLBLYTCBF-UHFFFAOYSA-N 0 0 198.243 1.666 10 0 ADAERN CCOc1cc(F)ncn1 149877935 344072606 /nfs/dbraw/zinc/07/26/06/344072606.db2.gz ZHLGZFNEMSWAEG-UHFFFAOYSA-N 0 0 142.133 1.014 10 0 ADAERN Fc1cc(OC2CCCC2)ncn1 149877116 344072633 /nfs/dbraw/zinc/07/26/33/344072633.db2.gz FNWXZLQBIMTNJD-UHFFFAOYSA-N 0 0 182.198 1.937 10 0 ADAERN Fc1cc(OC[C@@H]2CCCO2)ncn1 149882726 344072641 /nfs/dbraw/zinc/07/26/41/344072641.db2.gz XKRDUSNMAZEZQY-ZETCQYMHSA-N 0 0 198.197 1.174 10 0 ADAERN CNC(=O)[C@@H](C)CC(C)C 149888413 344072657 /nfs/dbraw/zinc/07/26/57/344072657.db2.gz ZZLFAEIKBHTRJQ-ZETCQYMHSA-N 0 0 143.230 1.415 10 0 ADAERN C[C@@H]1CC[C@@H]([C@H](N)c2nccs2)O1 149865533 344072679 /nfs/dbraw/zinc/07/26/79/344072679.db2.gz UZAQWRVQOWMSQQ-CSMHCCOUSA-N 0 0 198.291 1.710 10 0 ADAERN COc1cc(N)cc(N)c1C 149865757 344072687 /nfs/dbraw/zinc/07/26/87/344072687.db2.gz UIVJBVJZBCKJSI-UHFFFAOYSA-N 0 0 152.197 1.168 10 0 ADAERN CCc1ccc(CNC=O)s1 149870091 344072688 /nfs/dbraw/zinc/07/26/88/344072688.db2.gz CZNPISPRYXCGMD-UHFFFAOYSA-N 0 0 169.249 1.557 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](N)c2nccs2)O1 149865110 344072720 /nfs/dbraw/zinc/07/27/20/344072720.db2.gz UZAQWRVQOWMSQQ-PRJMDXOYSA-N 0 0 198.291 1.710 10 0 ADAERN Fc1cc(OC[C@H]2CCCO2)ncn1 149882938 344072732 /nfs/dbraw/zinc/07/27/32/344072732.db2.gz XKRDUSNMAZEZQY-SSDOTTSWSA-N 0 0 198.197 1.174 10 0 ADAERN CC(C)Oc1cc(F)ncn1 149881841 344072752 /nfs/dbraw/zinc/07/27/52/344072752.db2.gz OXKGZEVJYRFAML-UHFFFAOYSA-N 0 0 156.160 1.403 10 0 ADAERN CCCOc1cc(F)ncn1 149890057 344072841 /nfs/dbraw/zinc/07/28/41/344072841.db2.gz HILRHDNOPBGJKB-UHFFFAOYSA-N 0 0 156.160 1.405 10 0 ADAERN CC(C)(C)Oc1cc(F)ncn1 149885722 344072869 /nfs/dbraw/zinc/07/28/69/344072869.db2.gz NKOMTDOJGHAYHX-UHFFFAOYSA-N 0 0 170.187 1.793 10 0 ADAERN CCOC(=N)[C@H]1CC[C@H](C)O1 149897165 344073096 /nfs/dbraw/zinc/07/30/96/344073096.db2.gz XMZZTJBVLSHMOS-NKWVEPMBSA-N 0 0 157.213 1.568 10 0 ADAERN Fc1cc(OC2CCC2)ncn1 149907837 344073101 /nfs/dbraw/zinc/07/31/01/344073101.db2.gz UZUGAKNTKBOZOG-UHFFFAOYSA-N 0 0 168.171 1.547 10 0 ADAERN C[C@@H]1CC[C@H](c2noc(Cl)n2)O1 149895690 344073110 /nfs/dbraw/zinc/07/31/10/344073110.db2.gz DCLSBQCDKPXGSD-RFZPGFLSSA-N 0 0 188.614 1.963 10 0 ADAERN COc1cc(F)c(N)cc1C 149912738 344073120 /nfs/dbraw/zinc/07/31/20/344073120.db2.gz IQGVUCUGIUDAAX-UHFFFAOYSA-N 0 0 155.172 1.725 10 0 ADAERN C[C@@H]1CC[C@@H](c2noc(Cl)n2)O1 149896102 344073147 /nfs/dbraw/zinc/07/31/47/344073147.db2.gz DCLSBQCDKPXGSD-UHNVWZDZSA-N 0 0 188.614 1.963 10 0 ADAERN CC(C)NC(=O)[C@H]1C[C@@H]1C(C)C 149911295 344073153 /nfs/dbraw/zinc/07/31/53/344073153.db2.gz VVGVDZAMMWZKJZ-BDAKNGLRSA-N 0 0 169.268 1.803 10 0 ADAERN Cc1cc(Oc2cc(F)ncn2)n[nH]1 149921029 344073154 /nfs/dbraw/zinc/07/31/54/344073154.db2.gz DWRQZYAGNXRJSU-UHFFFAOYSA-N 0 0 194.169 1.440 10 0 ADAERN c1cc2c(c3c1CCN3)CCO2 149908878 344073160 /nfs/dbraw/zinc/07/31/60/344073160.db2.gz CCZKTQGMNOIBEU-UHFFFAOYSA-N 0 0 161.204 1.590 10 0 ADAERN Cc1ccc(C=O)c(O)c1F 149919244 344073164 /nfs/dbraw/zinc/07/31/64/344073164.db2.gz FDXZSIKBMZCPKI-UHFFFAOYSA-N 0 0 154.140 1.652 10 0 ADAERN C[C@H]1CC[C@H](c2noc(Cl)n2)O1 149895880 344073177 /nfs/dbraw/zinc/07/31/77/344073177.db2.gz DCLSBQCDKPXGSD-CRCLSJGQSA-N 0 0 188.614 1.963 10 0 ADAERN Fc1cc(OC[C@H]2CCOC2)ncn1 149906880 344073181 /nfs/dbraw/zinc/07/31/81/344073181.db2.gz VDCUDSWNKHVTCC-ZETCQYMHSA-N 0 0 198.197 1.031 10 0 ADAERN Fc1cc(OC[C@@H]2CCOC2)ncn1 149906680 344073185 /nfs/dbraw/zinc/07/31/85/344073185.db2.gz VDCUDSWNKHVTCC-SSDOTTSWSA-N 0 0 198.197 1.031 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@@H]1C(C)C 149911080 344073235 /nfs/dbraw/zinc/07/32/35/344073235.db2.gz VVGVDZAMMWZKJZ-RKDXNWHRSA-N 0 0 169.268 1.803 10 0 ADAERN CCOC(=N)[C@@H]1CC[C@H](C)O1 149896935 344073245 /nfs/dbraw/zinc/07/32/45/344073245.db2.gz XMZZTJBVLSHMOS-BQBZGAKWSA-N 0 0 157.213 1.568 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@H]1C(C)C 149911517 344073268 /nfs/dbraw/zinc/07/32/68/344073268.db2.gz VVGVDZAMMWZKJZ-DTWKUNHWSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)NC(=O)[C@H]1C[C@H]1C(C)C 149911740 344073350 /nfs/dbraw/zinc/07/33/50/344073350.db2.gz VVGVDZAMMWZKJZ-IUCAKERBSA-N 0 0 169.268 1.803 10 0 ADAERN C[C@H]1CC[C@@H](c2noc(Cl)n2)O1 149896328 344073358 /nfs/dbraw/zinc/07/33/58/344073358.db2.gz DCLSBQCDKPXGSD-WHFBIAKZSA-N 0 0 188.614 1.963 10 0 ADAERN O=c1sccn1-c1ccccc1 149943616 344073723 /nfs/dbraw/zinc/07/37/23/344073723.db2.gz ZQPJESBQCMTNHF-UHFFFAOYSA-N 0 0 177.228 1.899 10 0 ADAERN Fc1cc(N2CCCCC2)ncn1 149950304 344073733 /nfs/dbraw/zinc/07/37/33/344073733.db2.gz DRZWAGJGCBGDOF-UHFFFAOYSA-N 0 0 181.214 1.606 10 0 ADAERN CC(C)C[C@@H]1N=C[C@@H](C)O1 149950410 344073742 /nfs/dbraw/zinc/07/37/42/344073742.db2.gz YSDYXHUYWWYEGF-HTQZYQBOSA-N 0 0 141.214 1.848 10 0 ADAERN c1cc(N2CCCC2)ncn1 149932222 344073771 /nfs/dbraw/zinc/07/37/71/344073771.db2.gz WZRAVWCMDRGDQR-UHFFFAOYSA-N 0 0 149.197 1.077 10 0 ADAERN CC(C)C[C@H]1N=C[C@H](C)O1 149949795 344073778 /nfs/dbraw/zinc/07/37/78/344073778.db2.gz YSDYXHUYWWYEGF-YUMQZZPRSA-N 0 0 141.214 1.848 10 0 ADAERN CCNC(=O)c1cncc(Cl)c1 149934546 344073830 /nfs/dbraw/zinc/07/38/30/344073830.db2.gz NVFHCIQKFBWHCP-UHFFFAOYSA-N 0 0 184.626 1.485 10 0 ADAERN CC(C)(C)Nc1cc(F)ncn1 149933594 344073866 /nfs/dbraw/zinc/07/38/66/344073866.db2.gz HVEXSGFPBJXCNB-UHFFFAOYSA-N 0 0 169.203 1.826 10 0 ADAERN COc1cc(F)c(N)c(OC)c1 149932327 344073878 /nfs/dbraw/zinc/07/38/78/344073878.db2.gz DDNQSZOAHPHERF-UHFFFAOYSA-N 0 0 171.171 1.425 10 0 ADAERN CC(C)C[C@@H]1N=C[C@H](C)O1 149949999 344073898 /nfs/dbraw/zinc/07/38/98/344073898.db2.gz YSDYXHUYWWYEGF-JGVFFNPUSA-N 0 0 141.214 1.848 10 0 ADAERN Cc1c(C=O)nc2ccc(Cl)nn12 149943102 344073907 /nfs/dbraw/zinc/07/39/07/344073907.db2.gz WRVXACVRLIBOEQ-UHFFFAOYSA-N 0 0 195.609 1.504 10 0 ADAERN CC(C)C[C@H]1N=C[C@@H](C)O1 149950175 344073925 /nfs/dbraw/zinc/07/39/25/344073925.db2.gz YSDYXHUYWWYEGF-SFYZADRCSA-N 0 0 141.214 1.848 10 0 ADAERN CC(=O)c1cc(N)c(F)cc1F 149949543 344073930 /nfs/dbraw/zinc/07/39/30/344073930.db2.gz XHLZFRRGEXHTRH-UHFFFAOYSA-N 0 0 171.146 1.750 10 0 ADAERN CC[C@H](C)[C@@H]1N=C[C@H](C)O1 149967321 344074253 /nfs/dbraw/zinc/07/42/53/344074253.db2.gz YBDKWGPQFHFJIM-BIIVOSGPSA-N 0 0 141.214 1.848 10 0 ADAERN CC[C@H](C)[C@H]1N=C[C@H](C)O1 149966938 344074260 /nfs/dbraw/zinc/07/42/60/344074260.db2.gz YBDKWGPQFHFJIM-FXQIFTODSA-N 0 0 141.214 1.848 10 0 ADAERN CCSCc1ncccn1 149966563 344074383 /nfs/dbraw/zinc/07/43/83/344074383.db2.gz HILGSIWGSAQZMS-UHFFFAOYSA-N 0 0 154.238 1.730 10 0 ADAERN CCCNc1nncc(Cl)c1N 149951838 344074384 /nfs/dbraw/zinc/07/43/84/344074384.db2.gz OPUUQCBRSLMDEQ-UHFFFAOYSA-N 0 0 186.646 1.534 10 0 ADAERN CCCNc1cc(F)ncn1 149953562 344074424 /nfs/dbraw/zinc/07/44/24/344074424.db2.gz BWMXZEJLJJPGHA-UHFFFAOYSA-N 0 0 155.176 1.438 10 0 ADAERN Clc1ccc2nc3c(n2n1)CCC3 149958817 344074451 /nfs/dbraw/zinc/07/44/51/344074451.db2.gz MZUUFUNCOSMVRO-UHFFFAOYSA-N 0 0 193.637 1.871 10 0 ADAERN CC(C)C[C@@H]1N=CCO1 149990487 344074719 /nfs/dbraw/zinc/07/47/19/344074719.db2.gz PHFHTSLUMSGATL-SSDOTTSWSA-N 0 0 127.187 1.460 10 0 ADAERN Cc1cncc(C(C)(C)O)c1 149983451 344074768 /nfs/dbraw/zinc/07/47/68/344074768.db2.gz FNTVYXVBLVGJIK-UHFFFAOYSA-N 0 0 151.209 1.617 10 0 ADAERN O=c1[nH]c(-c2ccc(F)cn2)cs1 149985527 344074776 /nfs/dbraw/zinc/07/47/76/344074776.db2.gz WBPAIZKXIMCTES-UHFFFAOYSA-N 0 0 196.206 1.638 10 0 ADAERN CC(C)C[C@H]1N=CCO1 149990295 344074855 /nfs/dbraw/zinc/07/48/55/344074855.db2.gz PHFHTSLUMSGATL-ZETCQYMHSA-N 0 0 127.187 1.460 10 0 ADAERN C=Cc1ncccc1C(=O)OCC 150000273 344074884 /nfs/dbraw/zinc/07/48/84/344074884.db2.gz ZNDWIYIMYVZRRL-UHFFFAOYSA-N 0 0 177.203 1.901 10 0 ADAERN C=C[C@@H]1C[C@H](C)C(=O)O1 149981526 344074902 /nfs/dbraw/zinc/07/49/02/344074902.db2.gz QWIPYNUIFLSAGG-NTSWFWBYSA-N 0 0 126.155 1.124 10 0 ADAERN C[C@@H]1CC[C@@H](c2nccc(N)n2)O1 149992863 344074941 /nfs/dbraw/zinc/07/49/41/344074941.db2.gz YZGGXLHPSQAVLE-RQJHMYQMSA-N 0 0 179.223 1.299 10 0 ADAERN C[C@H]1CC[C@@H](c2nccc(N)n2)O1 149993074 344074950 /nfs/dbraw/zinc/07/49/50/344074950.db2.gz YZGGXLHPSQAVLE-BQBZGAKWSA-N 0 0 179.223 1.299 10 0 ADAERN C[C@@H]1CC[C@H](c2nccc(N)n2)O1 149992442 344074981 /nfs/dbraw/zinc/07/49/81/344074981.db2.gz YZGGXLHPSQAVLE-RNFRBKRXSA-N 0 0 179.223 1.299 10 0 ADAERN Nc1ccnc(-c2nccs2)n1 149980086 344074993 /nfs/dbraw/zinc/07/49/93/344074993.db2.gz PZONNDNJJONDKH-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN C[C@H]1CC[C@H](c2nccc(N)n2)O1 149992655 344075007 /nfs/dbraw/zinc/07/50/07/344075007.db2.gz YZGGXLHPSQAVLE-NKWVEPMBSA-N 0 0 179.223 1.299 10 0 ADAERN CCOc1ccncc1O 150038269 344075401 /nfs/dbraw/zinc/07/54/01/344075401.db2.gz WVZACHVDOJKDAB-UHFFFAOYSA-N 0 0 139.154 1.186 10 0 ADAERN C#CCOc1cc(N)c(F)cc1F 150032653 344075489 /nfs/dbraw/zinc/07/54/89/344075489.db2.gz SCTYAOJMWIYLLP-UHFFFAOYSA-N 0 0 183.157 1.559 10 0 ADAERN CN(C)n1ccc2c1CCC[C@@H]2O 150040163 344075561 /nfs/dbraw/zinc/07/55/61/344075561.db2.gz KYJBMBMWCYFOBQ-JTQLQIEISA-N 0 0 180.251 1.055 10 0 ADAERN CN(C)n1ccc2c1CCCC2=O 150034762 344075652 /nfs/dbraw/zinc/07/56/52/344075652.db2.gz LLATTXKETJPRRE-UHFFFAOYSA-N 0 0 178.235 1.205 10 0 ADAERN C=Cc1cnc2c(c1)CCC(=O)N2 150004894 344075663 /nfs/dbraw/zinc/07/56/63/344075663.db2.gz LHSPPDNCQOQMKU-UHFFFAOYSA-N 0 0 174.203 1.609 10 0 ADAERN Nc1c(Cl)cnnc1NC1CCC1 150034700 344075671 /nfs/dbraw/zinc/07/56/71/344075671.db2.gz GFHTYYVYVJOBDQ-UHFFFAOYSA-N 0 0 198.657 1.677 10 0 ADAERN Cc1cc2c(n1N(C)C)CCC[C@@H]2O 150040983 344075904 /nfs/dbraw/zinc/07/59/04/344075904.db2.gz FVULTQVSSXOXCU-NSHDSACASA-N 0 0 194.278 1.364 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cc(F)ncn1 150068085 344075912 /nfs/dbraw/zinc/07/59/12/344075912.db2.gz HUYGMOISGWVQFZ-RITPCOANSA-N 0 0 167.187 1.436 10 0 ADAERN C[C@H]1CC[C@H](c2nc(CO)c[nH]2)O1 150069150 344075932 /nfs/dbraw/zinc/07/59/32/344075932.db2.gz XHWPBOOKBZZPKT-POYBYMJQSA-N 0 0 182.223 1.142 10 0 ADAERN Cc1cc2c(n1N(C)C)CCC[C@H]2O 150041181 344075956 /nfs/dbraw/zinc/07/59/56/344075956.db2.gz FVULTQVSSXOXCU-LLVKDONJSA-N 0 0 194.278 1.364 10 0 ADAERN C[C@](O)(c1ccc(F)cn1)C1CC1 150051173 344075963 /nfs/dbraw/zinc/07/59/63/344075963.db2.gz NNILFPWTFKPXGI-SNVBAGLBSA-N 0 0 181.210 1.838 10 0 ADAERN CC1(C)C[C@H]1Nc1cc(F)ncn1 150057017 344075969 /nfs/dbraw/zinc/07/59/69/344075969.db2.gz FWOMNSOKJWITSO-ZCFIWIBFSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1CC[C@H](c2nc(CO)c[nH]2)O1 150068965 344075986 /nfs/dbraw/zinc/07/59/86/344075986.db2.gz XHWPBOOKBZZPKT-HTRCEHHLSA-N 0 0 182.223 1.142 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](N)C(F)(F)F)O1 150071664 344076055 /nfs/dbraw/zinc/07/60/55/344076055.db2.gz GQCNIRAKQFOYTN-PBXRRBTRSA-N 0 0 183.173 1.444 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc(CO)c[nH]2)O1 150069351 344076062 /nfs/dbraw/zinc/07/60/62/344076062.db2.gz XHWPBOOKBZZPKT-SVRRBLITSA-N 0 0 182.223 1.142 10 0 ADAERN C[C@H]1C[C@H]1Nc1cc(F)ncn1 150068705 344076075 /nfs/dbraw/zinc/07/60/75/344076075.db2.gz HUYGMOISGWVQFZ-NTSWFWBYSA-N 0 0 167.187 1.436 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cc(F)ncn1 150068506 344076086 /nfs/dbraw/zinc/07/60/86/344076086.db2.gz HUYGMOISGWVQFZ-PHDIDXHHSA-N 0 0 167.187 1.436 10 0 ADAERN Nc1c(Cl)cnnc1NC1CC1 150055779 344076106 /nfs/dbraw/zinc/07/61/06/344076106.db2.gz SFXNXQTXXIRKJZ-UHFFFAOYSA-N 0 0 184.630 1.287 10 0 ADAERN CCOC(=O)c1ccc(CC)c[n+]1[O-] 150078911 344076112 /nfs/dbraw/zinc/07/61/12/344076112.db2.gz RXIJZDMCGDIFBZ-UHFFFAOYSA-N 0 0 195.218 1.059 10 0 ADAERN CCc1c(F)cc(F)cc1C(N)=O 150070666 344076177 /nfs/dbraw/zinc/07/61/77/344076177.db2.gz WSSBEJDGYYFNTC-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CON(C)C(=O)c1ccc(F)s1 150066702 344076187 /nfs/dbraw/zinc/07/61/87/344076187.db2.gz CIFBCHCMNVHZOP-UHFFFAOYSA-N 0 0 189.211 1.521 10 0 ADAERN CC(C)(O)c1nc(Cl)ncc1F 150078297 344076191 /nfs/dbraw/zinc/07/61/91/344076191.db2.gz RPYSVUUANIFTAP-UHFFFAOYSA-N 0 0 190.605 1.497 10 0 ADAERN CN(C)n1ccc2c1CCC[C@H]2O 150040381 344076205 /nfs/dbraw/zinc/07/62/05/344076205.db2.gz KYJBMBMWCYFOBQ-SNVBAGLBSA-N 0 0 180.251 1.055 10 0 ADAERN CNc1cc(F)c(C=O)cc1F 150058810 344076232 /nfs/dbraw/zinc/07/62/32/344076232.db2.gz ZQXSDKHGUDNIJB-UHFFFAOYSA-N 0 0 171.146 1.819 10 0 ADAERN C[C@@](O)(c1ccc(F)cn1)C1CC1 150050929 344076236 /nfs/dbraw/zinc/07/62/36/344076236.db2.gz NNILFPWTFKPXGI-JTQLQIEISA-N 0 0 181.210 1.838 10 0 ADAERN C[C@@H]1CC[C@@H]([C@H](N)C(F)(F)F)O1 150072071 344076253 /nfs/dbraw/zinc/07/62/53/344076253.db2.gz GQCNIRAKQFOYTN-SRQIZXRXSA-N 0 0 183.173 1.444 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H]2CC(=O)CCO2)O1 150083738 344076511 /nfs/dbraw/zinc/07/65/11/344076511.db2.gz VIAXLTYZBGAFQU-JEZHCXPESA-N 0 0 184.235 1.302 10 0 ADAERN C[C@@H]1C(C(N)=O)=Cc2ccccc21 150113626 344076514 /nfs/dbraw/zinc/07/65/14/344076514.db2.gz DUBAVWUORMVTTO-ZETCQYMHSA-N 0 0 173.215 1.672 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1cc(F)ncn1 150095839 344076539 /nfs/dbraw/zinc/07/65/39/344076539.db2.gz FKNHDABJPOFNCB-HTQZYQBOSA-N 0 0 195.241 1.708 10 0 ADAERN Fc1cc(N[C@@H]2CCCOC2)ncn1 150086951 344076588 /nfs/dbraw/zinc/07/65/88/344076588.db2.gz OKIXUZUUJRJBJD-SSDOTTSWSA-N 0 0 197.213 1.207 10 0 ADAERN CCC(CC)[C@H](O)CC(C)=O 150116042 344076651 /nfs/dbraw/zinc/07/66/51/344076651.db2.gz UQJXEZXTFHQZDX-SECBINFHSA-N 0 0 158.241 1.763 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2C[C@H](O)CCO2)O1 150082492 344076669 /nfs/dbraw/zinc/07/66/69/344076669.db2.gz ZWXLMXXCYOZIQL-KYXWUPHJSA-N 0 0 186.251 1.094 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2CC(=O)CCO2)O1 150083330 344076689 /nfs/dbraw/zinc/07/66/89/344076689.db2.gz VIAXLTYZBGAFQU-QNSHHTMESA-N 0 0 184.235 1.302 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1cc(F)ncn1 150096498 344076699 /nfs/dbraw/zinc/07/66/99/344076699.db2.gz FKNHDABJPOFNCB-YUMQZZPRSA-N 0 0 195.241 1.708 10 0 ADAERN COc1c(C)cc(N)cc1F 150098016 344076745 /nfs/dbraw/zinc/07/67/45/344076745.db2.gz SZWDLHODIABBDT-UHFFFAOYSA-N 0 0 155.172 1.725 10 0 ADAERN CCC(CC)[C@@H](O)CC(C)=O 150115801 344076827 /nfs/dbraw/zinc/07/68/27/344076827.db2.gz UQJXEZXTFHQZDX-VIFPVBQESA-N 0 0 158.241 1.763 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1cc(F)ncn1 150096285 344076835 /nfs/dbraw/zinc/07/68/35/344076835.db2.gz FKNHDABJPOFNCB-SFYZADRCSA-N 0 0 195.241 1.708 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1cc(F)ncn1 150096055 344076848 /nfs/dbraw/zinc/07/68/48/344076848.db2.gz FKNHDABJPOFNCB-JGVFFNPUSA-N 0 0 195.241 1.708 10 0 ADAERN COC(=O)Nc1nccc2[nH]ccc12 150112384 344076864 /nfs/dbraw/zinc/07/68/64/344076864.db2.gz NXJWPXLAQPOOTB-UHFFFAOYSA-N 0 0 191.190 1.741 10 0 ADAERN COC[C@](C)(O)c1ccc(F)cn1 150108729 344076889 /nfs/dbraw/zinc/07/68/89/344076889.db2.gz XHHHWLQBVOJILG-VIFPVBQESA-N 0 0 185.198 1.075 10 0 ADAERN Fc1cc(N[C@H]2CCCOC2)ncn1 150087164 344076905 /nfs/dbraw/zinc/07/69/05/344076905.db2.gz OKIXUZUUJRJBJD-ZETCQYMHSA-N 0 0 197.213 1.207 10 0 ADAERN CC(C)[C@H](Cc1ccccc1)C(N)=O 150146869 344077033 /nfs/dbraw/zinc/07/70/33/344077033.db2.gz DESAHBPAGWZQFM-NSHDSACASA-N 0 0 191.274 1.987 10 0 ADAERN CC(C)[C@@H](Cc1ccccc1)C(N)=O 150146667 344077075 /nfs/dbraw/zinc/07/70/75/344077075.db2.gz DESAHBPAGWZQFM-LLVKDONJSA-N 0 0 191.274 1.987 10 0 ADAERN CC(=O)N[C@H](C(C)C)C1CC1 150126051 344077098 /nfs/dbraw/zinc/07/70/98/344077098.db2.gz YWHXRCJEDCNIJD-SECBINFHSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)C(=O)[C@H](O)C(C)(C)C 150145781 344077101 /nfs/dbraw/zinc/07/71/01/344077101.db2.gz DXGBQTPSPMHJGD-QMMMGPOBSA-N 0 0 158.241 1.619 10 0 ADAERN CC(=O)N[C@@H](C(C)C)C1CC1 150126253 344077254 /nfs/dbraw/zinc/07/72/54/344077254.db2.gz YWHXRCJEDCNIJD-VIFPVBQESA-N 0 0 155.241 1.557 10 0 ADAERN CSc1cc(F)ncn1 150175507 344077719 /nfs/dbraw/zinc/07/77/19/344077719.db2.gz LGYWIXQHZNPUGE-UHFFFAOYSA-N 0 0 144.174 1.338 10 0 ADAERN C[C@H]1CC[C@@H](c2ncc(CO)s2)O1 150185773 344077787 /nfs/dbraw/zinc/07/77/87/344077787.db2.gz MFXIHYLVERBTLC-XPUUQOCRSA-N 0 0 199.275 1.875 10 0 ADAERN Cc1ccn(-c2cc(F)ncn2)n1 150161836 344077792 /nfs/dbraw/zinc/07/77/92/344077792.db2.gz HJFHUSIUWJNOOU-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN Fc1cc(-c2cc[nH]n2)ccn1 150163132 344077819 /nfs/dbraw/zinc/07/78/19/344077819.db2.gz KAYJKHFVVHYDFE-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN COc1ccc(OC)c(F)c1O 150183216 344077863 /nfs/dbraw/zinc/07/78/63/344077863.db2.gz HEMXQGXDIRWTEN-UHFFFAOYSA-N 0 0 172.155 1.549 10 0 ADAERN CCSc1cc(F)ncn1 150166865 344077877 /nfs/dbraw/zinc/07/78/77/344077877.db2.gz KSPBZXRSEUYREA-UHFFFAOYSA-N 0 0 158.201 1.728 10 0 ADAERN C[C@@H]1CC[C@H](c2ncc(CO)s2)O1 150185202 344077889 /nfs/dbraw/zinc/07/78/89/344077889.db2.gz MFXIHYLVERBTLC-HTRCEHHLSA-N 0 0 199.275 1.875 10 0 ADAERN Cn1cnnc1CNc1ccsc1 150150087 344077898 /nfs/dbraw/zinc/07/78/98/344077898.db2.gz SWYVTFCJYONGDS-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Fc1cc(-n2cc(Cl)cn2)ncn1 150159424 344077908 /nfs/dbraw/zinc/07/79/08/344077908.db2.gz XDLKWFQLOVUERU-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN COC(=O)c1ccc(C2CC2)cn1 150178109 344077925 /nfs/dbraw/zinc/07/79/25/344077925.db2.gz AGEXIBATNPUIEI-UHFFFAOYSA-N 0 0 177.203 1.746 10 0 ADAERN Cc1cnn(-c2cc(F)ncn2)c1 150159202 344077927 /nfs/dbraw/zinc/07/79/27/344077927.db2.gz OJKIEICSSHVBSU-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN C[C@@H]1CC[C@@H](c2ncc(CO)s2)O1 150185572 344077941 /nfs/dbraw/zinc/07/79/41/344077941.db2.gz MFXIHYLVERBTLC-SVRRBLITSA-N 0 0 199.275 1.875 10 0 ADAERN OCCSCc1cncs1 156988370 344099022 /nfs/dbraw/zinc/09/90/22/344099022.db2.gz FHBPJLXLXUMWSS-UHFFFAOYSA-N 0 0 175.278 1.369 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H]2CC(=O)NC2(C)C)O1 150208797 344078319 /nfs/dbraw/zinc/07/83/19/344078319.db2.gz XAAJHMCBLSHJQY-VGMNWLOBSA-N 0 0 197.278 1.469 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2CC(=O)N[C@@H]2C)O1 150207587 344078339 /nfs/dbraw/zinc/07/83/39/344078339.db2.gz MGBZPFQGCRHSMZ-FNCVBFRFSA-N 0 0 183.251 1.079 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2CC(=O)NC2(C)C)O1 150208429 344078432 /nfs/dbraw/zinc/07/84/32/344078432.db2.gz XAAJHMCBLSHJQY-HRDYMLBCSA-N 0 0 197.278 1.469 10 0 ADAERN Cc1ccc2nc[nH]c(=O)c2c1C 150196917 344078450 /nfs/dbraw/zinc/07/84/50/344078450.db2.gz FLHMHLGNDAAQBQ-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN CNC(=O)N(C)c1cccc(O)c1 150201122 344078499 /nfs/dbraw/zinc/07/84/99/344078499.db2.gz INDKVDIKOVCSJX-UHFFFAOYSA-N 0 0 180.207 1.168 10 0 ADAERN C[C@H]1[C@H](C#N)C(=O)OC1(C)C 150248069 344078527 /nfs/dbraw/zinc/07/85/27/344078527.db2.gz VGHXLLGVRIJVRD-WDSKDSINSA-N 0 0 153.181 1.098 10 0 ADAERN O=C(c1ccsn1)c1ccsn1 150230245 344078614 /nfs/dbraw/zinc/07/86/14/344078614.db2.gz DOSOJMYGPGFBGP-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN CCOC(=O)c1c(N)cc(C)cc1F 150234070 344078691 /nfs/dbraw/zinc/07/86/91/344078691.db2.gz JYQSCFKWXDLGEZ-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN COC(=O)c1c(N)cc(C)cc1F 150236387 344078834 /nfs/dbraw/zinc/07/88/34/344078834.db2.gz WGOBAXKMKRXVIO-UHFFFAOYSA-N 0 0 183.182 1.503 10 0 ADAERN Cn1ccc2ccc(F)nc21 150274022 344079027 /nfs/dbraw/zinc/07/90/27/344079027.db2.gz KALFJEYIYPAYBR-UHFFFAOYSA-N 0 0 150.156 1.712 10 0 ADAERN CCC(=O)c1ccc2nccn2c1 150271311 344079096 /nfs/dbraw/zinc/07/90/96/344079096.db2.gz SFDJXLOPLYQADB-UHFFFAOYSA-N 0 0 174.203 1.927 10 0 ADAERN COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 150292619 344079148 /nfs/dbraw/zinc/07/91/48/344079148.db2.gz YIZRWHJWUGUDNP-PRJMDXOYSA-N 0 0 154.209 1.596 10 0 ADAERN Cc1nc2cc(N)ccc2n1N(C)C 150310513 344079529 /nfs/dbraw/zinc/07/95/29/344079529.db2.gz ZZLXLNULUKQWIS-UHFFFAOYSA-N 0 0 190.250 1.125 10 0 ADAERN C[C@H]1CC[C@@H](C2CC(=O)CC(=O)C2)O1 150316572 344079624 /nfs/dbraw/zinc/07/96/24/344079624.db2.gz TYZQRLXOZMYLRM-CPCISQLKSA-N 0 0 196.246 1.492 10 0 ADAERN CCO/C=C/COCC 150308051 344079631 /nfs/dbraw/zinc/07/96/31/344079631.db2.gz QKKCOXZYESFDQZ-AATRIKPKSA-N 0 0 130.187 1.573 10 0 ADAERN CC[C@@H](O)C(C)(C)[C@@H](C)O 150321183 344079637 /nfs/dbraw/zinc/07/96/37/344079637.db2.gz ULJJXDAGVBDQBJ-RNFRBKRXSA-N 0 0 146.230 1.164 10 0 ADAERN C[C@@H]1CC[C@H](C2CC(=O)CC(=O)C2)O1 150315958 344079701 /nfs/dbraw/zinc/07/97/01/344079701.db2.gz TYZQRLXOZMYLRM-RDDDGLTNSA-N 0 0 196.246 1.492 10 0 ADAERN CC[C@H](O)C(C)(C)[C@@H](C)O 150320973 344079709 /nfs/dbraw/zinc/07/97/09/344079709.db2.gz ULJJXDAGVBDQBJ-RQJHMYQMSA-N 0 0 146.230 1.164 10 0 ADAERN CC[C@H](O)C(C)(C)[C@H](C)O 150321404 344079752 /nfs/dbraw/zinc/07/97/52/344079752.db2.gz ULJJXDAGVBDQBJ-BQBZGAKWSA-N 0 0 146.230 1.164 10 0 ADAERN CC[C@@H](O)C(C)(C)[C@H](C)O 150321580 344079757 /nfs/dbraw/zinc/07/97/57/344079757.db2.gz ULJJXDAGVBDQBJ-NKWVEPMBSA-N 0 0 146.230 1.164 10 0 ADAERN C[C@@H]1CCc2cccc3c2N1C(=O)C3 150308765 344079781 /nfs/dbraw/zinc/07/97/81/344079781.db2.gz NMHATAMEOXJEDB-MRVPVSSYSA-N 0 0 187.242 1.910 10 0 ADAERN C[C@H]1CC[C@H](C2CC(=O)CC(=O)C2)O1 150316166 344079793 /nfs/dbraw/zinc/07/97/93/344079793.db2.gz TYZQRLXOZMYLRM-WRWORJQWSA-N 0 0 196.246 1.492 10 0 ADAERN Nc1nc(-c2ccc(F)cn2)co1 150327048 344079818 /nfs/dbraw/zinc/07/98/18/344079818.db2.gz HJBYUKGONXOWDG-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN C[C@@H]1CC[C@@H](C2CC(=O)CC(=O)C2)O1 150316378 344079821 /nfs/dbraw/zinc/07/98/21/344079821.db2.gz TYZQRLXOZMYLRM-HQJQHLMTSA-N 0 0 196.246 1.492 10 0 ADAERN C[C@H]1CCc2cccc3c2N1C(=O)C3 150308965 344079843 /nfs/dbraw/zinc/07/98/43/344079843.db2.gz NMHATAMEOXJEDB-QMMMGPOBSA-N 0 0 187.242 1.910 10 0 ADAERN Nc1c[nH]nc1-c1ccc(F)cn1 150302058 344079857 /nfs/dbraw/zinc/07/98/57/344079857.db2.gz BMQIVNXGHUEWDO-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN COc1ccc(N)c(O)c1F 150336442 344080068 /nfs/dbraw/zinc/08/00/68/344080068.db2.gz PQARGBHYFJTKMI-UHFFFAOYSA-N 0 0 157.144 1.122 10 0 ADAERN Nc1c(F)cccc1-c1nc[nH]n1 155659281 344080128 /nfs/dbraw/zinc/08/01/28/344080128.db2.gz JNUCNFKOTNEHDH-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN CC1(C)C[C@H]1N1C(=S)N=NC1CO 155643224 344080193 /nfs/dbraw/zinc/08/01/93/344080193.db2.gz LFAJIIZDSFRANZ-RXMQYKEDSA-N 0 0 199.279 1.030 10 0 ADAERN Nc1noc(-c2cccc(F)c2N)n1 155569394 344080313 /nfs/dbraw/zinc/08/03/13/344080313.db2.gz OVJARELVXQFPNM-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN CC(=O)c1cc2n[nH]cc2s1 150331732 344080331 /nfs/dbraw/zinc/08/03/31/344080331.db2.gz FKZQPDYCGUYYPW-UHFFFAOYSA-N 0 0 166.205 1.827 10 0 ADAERN Cc1nc(-c2cccc(F)c2N)n[nH]1 155657204 344080339 /nfs/dbraw/zinc/08/03/39/344080339.db2.gz GQBJIIYNIISMGQ-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CC1(C)C[C@@H]1N1C(=S)N=NC1CO 155643119 344080496 /nfs/dbraw/zinc/08/04/96/344080496.db2.gz LFAJIIZDSFRANZ-YFKPBYRVSA-N 0 0 199.279 1.030 10 0 ADAERN CC(C)CC(=O)C(F)F 156186160 344081006 /nfs/dbraw/zinc/08/10/06/344081006.db2.gz RNFPRMPZHAOEND-UHFFFAOYSA-N 0 0 136.141 1.867 10 0 ADAERN Cc1cc2c(cc1F)NC(=O)C2 156158705 344080995 /nfs/dbraw/zinc/08/09/95/344080995.db2.gz KWXPDYCLJCAFSN-UHFFFAOYSA-N 0 0 165.167 1.629 10 0 ADAERN Fc1c[nH]c(=S)c(F)c1 156159937 344081003 /nfs/dbraw/zinc/08/10/03/344081003.db2.gz WGEOBAQJIWXRGC-UHFFFAOYSA-N 0 0 147.149 1.649 10 0 ADAERN CC(C)(C)OCCSCCO 156120370 344081046 /nfs/dbraw/zinc/08/10/46/344081046.db2.gz GTUZDWVOVNSZSG-UHFFFAOYSA-N 0 0 178.297 1.527 10 0 ADAERN Cc1csc(C[C@@H](O)C(F)F)n1 156191139 344081611 /nfs/dbraw/zinc/08/16/11/344081611.db2.gz IFEWQXYPJQYIRB-RXMQYKEDSA-N 0 0 193.218 1.620 10 0 ADAERN O=C(Cc1ccncc1)C(F)F 156187729 344081614 /nfs/dbraw/zinc/08/16/14/344081614.db2.gz DRLWWZVABHXRGI-UHFFFAOYSA-N 0 0 171.146 1.458 10 0 ADAERN CC[C@@H](C)C(=O)C(F)F 156188137 344081631 /nfs/dbraw/zinc/08/16/31/344081631.db2.gz UWSPNCKBGYNQQS-SCSAIBSYSA-N 0 0 136.141 1.867 10 0 ADAERN O=C(Cc1ccccn1)C(F)F 156186298 344081650 /nfs/dbraw/zinc/08/16/50/344081650.db2.gz WQULPHGLSJVEEA-UHFFFAOYSA-N 0 0 171.146 1.458 10 0 ADAERN CCCOCC(=O)C(F)F 156186942 344081697 /nfs/dbraw/zinc/08/16/97/344081697.db2.gz UOFPFYNRPRYKBR-UHFFFAOYSA-N 0 0 152.140 1.247 10 0 ADAERN NNCc1cccc(F)c1Cl 156197704 344081745 /nfs/dbraw/zinc/08/17/45/344081745.db2.gz RCHKSJFXZHCQGI-UHFFFAOYSA-N 0 0 174.606 1.442 10 0 ADAERN O[C@H](Cc1ccncc1)C(F)F 156190884 344081767 /nfs/dbraw/zinc/08/17/67/344081767.db2.gz NQUOEFXEDNHWBN-SSDOTTSWSA-N 0 0 173.162 1.250 10 0 ADAERN O=C(c1ccoc1)C(F)F 156188406 344081777 /nfs/dbraw/zinc/08/17/77/344081777.db2.gz ZFGTUGQWABDDIE-UHFFFAOYSA-N 0 0 146.092 1.727 10 0 ADAERN O[C@H](Cc1ccccn1)C(F)F 156189422 344081805 /nfs/dbraw/zinc/08/18/05/344081805.db2.gz XRIMMBLJKRHIEY-SSDOTTSWSA-N 0 0 173.162 1.250 10 0 ADAERN O[C@@H](Cc1ccccn1)C(F)F 156189301 344081810 /nfs/dbraw/zinc/08/18/10/344081810.db2.gz XRIMMBLJKRHIEY-ZETCQYMHSA-N 0 0 173.162 1.250 10 0 ADAERN O=C(C(F)F)C1CCOCC1 156188789 344081826 /nfs/dbraw/zinc/08/18/26/344081826.db2.gz VZQRITGOEAWJSM-UHFFFAOYSA-N 0 0 164.151 1.247 10 0 ADAERN Cc1csc(CC(=O)C(F)F)n1 156187860 344081870 /nfs/dbraw/zinc/08/18/70/344081870.db2.gz JUXQTUXVHUKQFP-UHFFFAOYSA-N 0 0 191.202 1.828 10 0 ADAERN C[C@@H](O)/C=C/c1ccc(O)cc1 156208158 344081881 /nfs/dbraw/zinc/08/18/81/344081881.db2.gz FOJHWRWBCJHEBS-UFUPEUMYSA-N 0 0 164.204 1.786 10 0 ADAERN Cn1cc(C(=O)C(F)(F)Cl)cn1 156202614 344081940 /nfs/dbraw/zinc/08/19/40/344081940.db2.gz WZWZGWIUHCZCGL-UHFFFAOYSA-N 0 0 194.568 1.434 10 0 ADAERN CC[C@H](C)C(=O)C(F)F 156188275 344082003 /nfs/dbraw/zinc/08/20/03/344082003.db2.gz UWSPNCKBGYNQQS-BYPYZUCNSA-N 0 0 136.141 1.867 10 0 ADAERN CON(C)C(=O)c1cccc(F)c1N 156219978 344082006 /nfs/dbraw/zinc/08/20/06/344082006.db2.gz PQICWNKVUADSQP-UHFFFAOYSA-N 0 0 198.197 1.041 10 0 ADAERN C[C@H](O)/C=C/c1ccc(O)cc1 156208049 344082019 /nfs/dbraw/zinc/08/20/19/344082019.db2.gz FOJHWRWBCJHEBS-SGJFDWMWSA-N 0 0 164.204 1.786 10 0 ADAERN Cc1csc(C[C@H](O)C(F)F)n1 156191012 344082021 /nfs/dbraw/zinc/08/20/21/344082021.db2.gz IFEWQXYPJQYIRB-YFKPBYRVSA-N 0 0 193.218 1.620 10 0 ADAERN CC[C@@H](C)c1nccnc1NN 156244209 344082441 /nfs/dbraw/zinc/08/24/41/344082441.db2.gz MPXZUMIAHXQJFD-ZCFIWIBFSA-N 0 0 166.228 1.276 10 0 ADAERN Cc1nc(CC(=O)C(F)F)cs1 156187997 344082050 /nfs/dbraw/zinc/08/20/50/344082050.db2.gz BWJCQZDKSQEATR-UHFFFAOYSA-N 0 0 191.202 1.828 10 0 ADAERN O[C@@H](Cc1ccncc1)C(F)F 156190777 344082092 /nfs/dbraw/zinc/08/20/92/344082092.db2.gz NQUOEFXEDNHWBN-ZETCQYMHSA-N 0 0 173.162 1.250 10 0 ADAERN COc1cc2c(cc1F)NCC2 156210263 344082097 /nfs/dbraw/zinc/08/20/97/344082097.db2.gz ZGQZJRVSELBZOU-UHFFFAOYSA-N 0 0 167.183 1.802 10 0 ADAERN CC(C)(C)Cc1ncc[nH]c1=O 156241330 344082260 /nfs/dbraw/zinc/08/22/60/344082260.db2.gz WMBMZLKKLUHOCB-UHFFFAOYSA-N 0 0 166.224 1.359 10 0 ADAERN CC(C)(C)Cc1nccnc1N 156242624 344082306 /nfs/dbraw/zinc/08/23/06/344082306.db2.gz IEQBITSKNXSWQM-UHFFFAOYSA-N 0 0 165.240 1.647 10 0 ADAERN Cc1cc(N)cn2c(Cl)cnc12 156230936 344082319 /nfs/dbraw/zinc/08/23/19/344082319.db2.gz XVKINBLMPFXRML-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN CCCc1nccnc1NCC 156243515 344082343 /nfs/dbraw/zinc/08/23/43/344082343.db2.gz NKTKBZPRYMGKIB-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN CNc1nccnc1C(C)(C)C 156243019 344082357 /nfs/dbraw/zinc/08/23/57/344082357.db2.gz HOMRUEOBCNYFGG-UHFFFAOYSA-N 0 0 165.240 1.816 10 0 ADAERN CCC[C@@H](C)c1ncc[nH]c1=O 156240922 344082400 /nfs/dbraw/zinc/08/24/00/344082400.db2.gz DMDHYQYXVCSJTJ-SSDOTTSWSA-N 0 0 166.224 1.674 10 0 ADAERN O=c1[nH]ccnc1C1CCC1 156240521 344082402 /nfs/dbraw/zinc/08/24/02/344082402.db2.gz WJFBWSMSBYWLBT-UHFFFAOYSA-N 0 0 150.181 1.037 10 0 ADAERN CC[C@H](C)c1nccnc1NN 156244323 344082406 /nfs/dbraw/zinc/08/24/06/344082406.db2.gz MPXZUMIAHXQJFD-LURJTMIESA-N 0 0 166.228 1.276 10 0 ADAERN CC(C)(C)c1ncc[nH]c1=O 156241199 344082461 /nfs/dbraw/zinc/08/24/61/344082461.db2.gz YXUPXUSZVZZXRI-UHFFFAOYSA-N 0 0 152.197 1.067 10 0 ADAERN CCC[C@H](C)c1ncc[nH]c1=O 156241046 344082472 /nfs/dbraw/zinc/08/24/72/344082472.db2.gz DMDHYQYXVCSJTJ-ZETCQYMHSA-N 0 0 166.224 1.674 10 0 ADAERN Nc1nccnc1C1CCC1 156242221 344082481 /nfs/dbraw/zinc/08/24/81/344082481.db2.gz OKGQMQRHTUDGMC-UHFFFAOYSA-N 0 0 149.197 1.326 10 0 ADAERN CCCCc1nccnc1NN 156243908 344082507 /nfs/dbraw/zinc/08/25/07/344082507.db2.gz DENJVCCQQFGAMV-UHFFFAOYSA-N 0 0 166.228 1.105 10 0 ADAERN CCNc1nccnc1CC 156243400 344082556 /nfs/dbraw/zinc/08/25/56/344082556.db2.gz BPODAQFZSZWZNU-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN Cc1ccc(N)c(NC(N)=O)c1 156239804 344082560 /nfs/dbraw/zinc/08/25/60/344082560.db2.gz NRXAFQJCYHEFSO-UHFFFAOYSA-N 0 0 165.196 1.068 10 0 ADAERN CCCNc1nccnc1CC 156243650 344082566 /nfs/dbraw/zinc/08/25/66/344082566.db2.gz PHNLLUUADMDKBU-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN CC(C)(C)c1nccnc1NN 156244450 344082680 /nfs/dbraw/zinc/08/26/80/344082680.db2.gz WXTYGCLFRWDYEP-UHFFFAOYSA-N 0 0 166.228 1.060 10 0 ADAERN CCCc1nccnc1NC 156243273 344082687 /nfs/dbraw/zinc/08/26/87/344082687.db2.gz UDAWMKBCWVFEJS-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN CNc1nccnc1C1CCC1 156243145 344082712 /nfs/dbraw/zinc/08/27/12/344082712.db2.gz NOLSYNOTSNTCSQ-UHFFFAOYSA-N 0 0 163.224 1.786 10 0 ADAERN Nc1nccnc1C1CCCC1 156242036 344082760 /nfs/dbraw/zinc/08/27/60/344082760.db2.gz ZBRYVIAQHGYHSM-UHFFFAOYSA-N 0 0 163.224 1.716 10 0 ADAERN CCC[C@H](C)c1nccnc1N 156242483 344082793 /nfs/dbraw/zinc/08/27/93/344082793.db2.gz PKYQUUPSFYHNBS-ZETCQYMHSA-N 0 0 165.240 1.962 10 0 ADAERN CCC[C@@H](C)c1nccnc1N 156242363 344082795 /nfs/dbraw/zinc/08/27/95/344082795.db2.gz PKYQUUPSFYHNBS-SSDOTTSWSA-N 0 0 165.240 1.962 10 0 ADAERN FC1(c2ccoc2)CNC1 156383570 344084494 /nfs/dbraw/zinc/08/44/94/344084494.db2.gz LUVBMBXFMAKBBK-UHFFFAOYSA-N 0 0 141.145 1.048 10 0 ADAERN FC1(c2ccsc2)CNC1 156387938 344084615 /nfs/dbraw/zinc/08/46/15/344084615.db2.gz ZEERAFUPPLZUNA-UHFFFAOYSA-N 0 0 157.213 1.516 10 0 ADAERN FC1(Cc2cccs2)CNC1 156385375 344084620 /nfs/dbraw/zinc/08/46/20/344084620.db2.gz CVCUMHDMAPIADQ-UHFFFAOYSA-N 0 0 171.240 1.602 10 0 ADAERN FC1(Cc2ccoc2)CNC1 156387668 344084646 /nfs/dbraw/zinc/08/46/46/344084646.db2.gz JZIJJEVJOWYNAJ-UHFFFAOYSA-N 0 0 155.172 1.134 10 0 ADAERN Cc1cccc(C2(F)CNC2)c1 156385247 344084649 /nfs/dbraw/zinc/08/46/49/344084649.db2.gz CROUNPWYCVLABM-UHFFFAOYSA-N 0 0 165.211 1.763 10 0 ADAERN Cc1csc(CC2(F)CNC2)n1 156385648 344084672 /nfs/dbraw/zinc/08/46/72/344084672.db2.gz UMWGMYQXWRUXEF-UHFFFAOYSA-N 0 0 186.255 1.306 10 0 ADAERN Cc1ccccc1C1(F)CNC1 156386588 344084791 /nfs/dbraw/zinc/08/47/91/344084791.db2.gz ZQWGUJMRDCBILY-UHFFFAOYSA-N 0 0 165.211 1.763 10 0 ADAERN Cc1ccc(C2(F)CNC2)s1 156386989 344084852 /nfs/dbraw/zinc/08/48/52/344084852.db2.gz KJZFIFGHAVCDNW-UHFFFAOYSA-N 0 0 171.240 1.825 10 0 ADAERN Fc1cccc(C2(F)CNC2)c1 156394647 344085126 /nfs/dbraw/zinc/08/51/26/344085126.db2.gz DJTHWLDZTBTGRM-UHFFFAOYSA-N 0 0 169.174 1.594 10 0 ADAERN Cc1nc(CC2(F)CNC2)cs1 156389534 344085240 /nfs/dbraw/zinc/08/52/40/344085240.db2.gz VFUJUGDZZODWOT-UHFFFAOYSA-N 0 0 186.255 1.306 10 0 ADAERN FC1(Cc2ccsc2)CNC1 156390955 344085191 /nfs/dbraw/zinc/08/51/91/344085191.db2.gz DTWZUVFXUKIILN-UHFFFAOYSA-N 0 0 171.240 1.602 10 0 ADAERN Cc1ccc(C2(F)CNC2)cn1 156396363 344085223 /nfs/dbraw/zinc/08/52/23/344085223.db2.gz PYNJWWYJDMUSDA-UHFFFAOYSA-N 0 0 166.199 1.158 10 0 ADAERN Cc1cncc(C2(F)CNC2)c1 156391089 344085271 /nfs/dbraw/zinc/08/52/71/344085271.db2.gz PEAGJJYCTWJBKY-UHFFFAOYSA-N 0 0 166.199 1.158 10 0 ADAERN FC1(Cc2ccco2)CNC1 156396850 344085299 /nfs/dbraw/zinc/08/52/99/344085299.db2.gz XAZSNXUDSWZUTB-UHFFFAOYSA-N 0 0 155.172 1.134 10 0 ADAERN Cc1ccc(C2(F)CNC2)cc1 156396627 344085373 /nfs/dbraw/zinc/08/53/73/344085373.db2.gz MHLYGIJIXOIVED-UHFFFAOYSA-N 0 0 165.211 1.763 10 0 ADAERN Cc1ccncc1C1(F)CNC1 156392799 344085376 /nfs/dbraw/zinc/08/53/76/344085376.db2.gz GYIRJCSIMDYGSX-UHFFFAOYSA-N 0 0 166.199 1.158 10 0 ADAERN Cc1ccsc1C1(F)CNC1 156390816 344085432 /nfs/dbraw/zinc/08/54/32/344085432.db2.gz JYJKZDCBCWJLMQ-UHFFFAOYSA-N 0 0 171.240 1.825 10 0 ADAERN Cc1cc(C2(F)CNC2)cs1 156397332 344085462 /nfs/dbraw/zinc/08/54/62/344085462.db2.gz OLVIIDCVIPAWGB-UHFFFAOYSA-N 0 0 171.240 1.825 10 0 ADAERN Fc1ccc(C2(F)CNC2)cc1 156388727 344085656 /nfs/dbraw/zinc/08/56/56/344085656.db2.gz ZQXXMXJSUQJKGI-UHFFFAOYSA-N 0 0 169.174 1.594 10 0 ADAERN CNc1cc(-c2ccc(F)cn2)[nH]n1 156437637 344086590 /nfs/dbraw/zinc/08/65/90/344086590.db2.gz FCOSSMTZYAJZKX-UHFFFAOYSA-N 0 0 192.197 1.653 10 0 ADAERN CSc1ccc([C@@H](C)O)nc1 156462021 344088178 /nfs/dbraw/zinc/08/81/78/344088178.db2.gz PSLLXHXZHHXJBZ-ZCFIWIBFSA-N 0 0 169.249 1.857 10 0 ADAERN CSc1ccc([C@H](C)O)nc1 156461891 344088184 /nfs/dbraw/zinc/08/81/84/344088184.db2.gz PSLLXHXZHHXJBZ-LURJTMIESA-N 0 0 169.249 1.857 10 0 ADAERN C[C@](N)(c1ccc(F)cn1)C(F)F 156473039 344088619 /nfs/dbraw/zinc/08/86/19/344088619.db2.gz WRCUINMRQAJVRL-QMMMGPOBSA-N 0 0 190.168 1.660 10 0 ADAERN C[C@@](N)(c1ccc(F)cn1)C(F)F 156472924 344088990 /nfs/dbraw/zinc/08/89/90/344088990.db2.gz WRCUINMRQAJVRL-MRVPVSSYSA-N 0 0 190.168 1.660 10 0 ADAERN C[C@H](CO)c1ccc(F)cn1 156538794 344090378 /nfs/dbraw/zinc/09/03/78/344090378.db2.gz BLZAHLVLJLORKI-ZCFIWIBFSA-N 0 0 155.172 1.317 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc(Cl)o1 157783710 344114475 /nfs/dbraw/zinc/11/44/75/344114475.db2.gz PUEVGRAFBSKGNU-IMJSIDKUSA-N 0 0 158.588 1.846 10 0 ADAERN Nc1nc(-c2ccc(F)cn2)c[nH]1 156548872 344091009 /nfs/dbraw/zinc/09/10/09/344091009.db2.gz GCVBGXGXNRDXID-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN C[C@H]1OCC[C@H]1c1nc(Cl)no1 156589286 344091146 /nfs/dbraw/zinc/09/11/46/344091146.db2.gz ADGHKGAAECJAPC-RFZPGFLSSA-N 0 0 188.614 1.615 10 0 ADAERN C/C(C(=O)[O-])=C1/CC[N@H+](C)[C@@H](C)C1 156582615 344091157 /nfs/dbraw/zinc/09/11/57/344091157.db2.gz ASMMSVFLLLPXJE-MXMZYCHESA-N 0 0 183.251 1.502 10 0 ADAERN Clc1noc([C@H]2CCCCO2)n1 156588191 344091199 /nfs/dbraw/zinc/09/11/99/344091199.db2.gz DOSCZNNXNHRYJA-RXMQYKEDSA-N 0 0 188.614 1.965 10 0 ADAERN CCCc1nc(Cl)no1 156585681 344091215 /nfs/dbraw/zinc/09/12/15/344091215.db2.gz XAFKZRHCLWBWKX-UHFFFAOYSA-N 0 0 146.577 1.676 10 0 ADAERN C[C@H]1CCO[C@H]1c1nc(Cl)no1 156587116 344091229 /nfs/dbraw/zinc/09/12/29/344091229.db2.gz UNJIOENIRYYXPM-CRCLSJGQSA-N 0 0 188.614 1.821 10 0 ADAERN Clc1noc([C@H]2CCCO2)n1 156589765 344091234 /nfs/dbraw/zinc/09/12/34/344091234.db2.gz PVRQDBAKBJMPQH-SCSAIBSYSA-N 0 0 174.587 1.575 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(Cl)no1 156595469 344091248 /nfs/dbraw/zinc/09/12/48/344091248.db2.gz GJOVQBHWXVYEJK-QWWZWVQMSA-N 0 0 158.588 1.846 10 0 ADAERN C[C@@H]1C/C(=C(\F)C(=O)[O-])CC[N@@H+]1C 156583060 344091268 /nfs/dbraw/zinc/09/12/68/344091268.db2.gz QLFDBLCIRKSEFM-VALLEEFXSA-N 0 0 187.214 1.409 10 0 ADAERN C[C@@H]1OCC[C@H]1c1nc(Cl)no1 156589411 344091288 /nfs/dbraw/zinc/09/12/88/344091288.db2.gz ADGHKGAAECJAPC-CRCLSJGQSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@]1(c2nc(Cl)no2)CCCO1 156592271 344091295 /nfs/dbraw/zinc/09/12/95/344091295.db2.gz RWQJNUUJHUSZHD-SSDOTTSWSA-N 0 0 188.614 1.749 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nc(Cl)no1 156586973 344091325 /nfs/dbraw/zinc/09/13/25/344091325.db2.gz UNJIOENIRYYXPM-RFZPGFLSSA-N 0 0 188.614 1.821 10 0 ADAERN CSCc1nc(Cl)no1 156588886 344091336 /nfs/dbraw/zinc/09/13/36/344091336.db2.gz JAFOSQJGRAIMRV-UHFFFAOYSA-N 0 0 164.617 1.586 10 0 ADAERN Clc1noc(-c2ccccn2)n1 156592543 344091348 /nfs/dbraw/zinc/09/13/48/344091348.db2.gz AIGLKCLNNYTQAJ-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN C[C@@H]1C[C@@H]([C@H](F)C(=O)[O-])CC[N@@H+]1C 156584768 344091369 /nfs/dbraw/zinc/09/13/69/344091369.db2.gz NRBRDTHSBACCIM-CSMHCCOUSA-N 0 0 189.230 1.139 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1nc(Cl)no1 156589618 344091377 /nfs/dbraw/zinc/09/13/77/344091377.db2.gz ADGHKGAAECJAPC-WHFBIAKZSA-N 0 0 188.614 1.615 10 0 ADAERN Clc1noc([C@@H]2CCCOC2)n1 156593579 344091382 /nfs/dbraw/zinc/09/13/82/344091382.db2.gz XFWACABTBLYXTM-RXMQYKEDSA-N 0 0 188.614 1.617 10 0 ADAERN Clc1noc(-c2cc[nH]n2)n1 156588715 344091403 /nfs/dbraw/zinc/09/14/03/344091403.db2.gz FMQVDPZIHNNFDV-UHFFFAOYSA-N 0 0 170.559 1.113 10 0 ADAERN C[C@@]1(c2nc(Cl)no2)CCCO1 156592399 344091436 /nfs/dbraw/zinc/09/14/36/344091436.db2.gz RWQJNUUJHUSZHD-ZETCQYMHSA-N 0 0 188.614 1.749 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc(Cl)no2)O1 156586470 344091439 /nfs/dbraw/zinc/09/14/39/344091439.db2.gz BGAPUMCRBVYQFI-UHNVWZDZSA-N 0 0 188.614 1.963 10 0 ADAERN Cn1cc(-c2nc(Cl)no2)cn1 156587246 344091446 /nfs/dbraw/zinc/09/14/46/344091446.db2.gz ZRMXULGHWWHZEY-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Cc1oncc1-c1nc(Cl)no1 156587657 344091452 /nfs/dbraw/zinc/09/14/52/344091452.db2.gz BCJWNNBILVVJFV-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN Clc1noc(-c2ccon2)n1 156591621 344091458 /nfs/dbraw/zinc/09/14/58/344091458.db2.gz MXTKQGNVSHNTIG-UHFFFAOYSA-N 0 0 171.543 1.378 10 0 ADAERN OCc1cc(-c2ccc(F)cn2)on1 156590354 344091468 /nfs/dbraw/zinc/09/14/68/344091468.db2.gz CVZLSIYMYOVWBL-UHFFFAOYSA-N 0 0 194.165 1.368 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(Cl)no1 156595210 344091473 /nfs/dbraw/zinc/09/14/73/344091473.db2.gz GJOVQBHWXVYEJK-DMTCNVIQSA-N 0 0 158.588 1.846 10 0 ADAERN C[C@@H]1CC[C@H](c2nc(Cl)no2)O1 156586204 344091499 /nfs/dbraw/zinc/09/14/99/344091499.db2.gz BGAPUMCRBVYQFI-RFZPGFLSSA-N 0 0 188.614 1.963 10 0 ADAERN Clc1noc([C@H]2CCCOC2)n1 156593460 344091504 /nfs/dbraw/zinc/09/15/04/344091504.db2.gz XFWACABTBLYXTM-YFKPBYRVSA-N 0 0 188.614 1.617 10 0 ADAERN Clc1noc(-c2cnns2)n1 156593859 344091520 /nfs/dbraw/zinc/09/15/20/344091520.db2.gz YSDBWMDOZMOEMI-UHFFFAOYSA-N 0 0 188.599 1.242 10 0 ADAERN CCOc1nc(Cl)no1 156594144 344091532 /nfs/dbraw/zinc/09/15/32/344091532.db2.gz ZLXVVDKCQASNMP-UHFFFAOYSA-N 0 0 148.549 1.122 10 0 ADAERN CSCCc1nc(Cl)no1 156593708 344091537 /nfs/dbraw/zinc/09/15/37/344091537.db2.gz HCZTWPJRIKJYRE-UHFFFAOYSA-N 0 0 178.644 1.629 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(Cl)no1 156595335 344091539 /nfs/dbraw/zinc/09/15/39/344091539.db2.gz GJOVQBHWXVYEJK-IMJSIDKUSA-N 0 0 158.588 1.846 10 0 ADAERN C[C@H]1CC[C@H](c2nc(Cl)no2)O1 156586335 344091546 /nfs/dbraw/zinc/09/15/46/344091546.db2.gz BGAPUMCRBVYQFI-CRCLSJGQSA-N 0 0 188.614 1.963 10 0 ADAERN C[C@H]1CCO[C@@H]1c1nc(Cl)no1 156586841 344091560 /nfs/dbraw/zinc/09/15/60/344091560.db2.gz UNJIOENIRYYXPM-WHFBIAKZSA-N 0 0 188.614 1.821 10 0 ADAERN Clc1noc([C@@H]2CCCO2)n1 156589884 344091565 /nfs/dbraw/zinc/09/15/65/344091565.db2.gz PVRQDBAKBJMPQH-BYPYZUCNSA-N 0 0 174.587 1.575 10 0 ADAERN Cc1cc(-c2nc(Cl)no2)on1 156591504 344091574 /nfs/dbraw/zinc/09/15/74/344091574.db2.gz CDGSGRVUYMKWGH-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN C[C@H]1C[C@H]1c1nc(Cl)no1 156595593 344091576 /nfs/dbraw/zinc/09/15/76/344091576.db2.gz GJOVQBHWXVYEJK-IUYQGCFVSA-N 0 0 158.588 1.846 10 0 ADAERN Cn1nccc1-c1nc(Cl)no1 156593328 344091580 /nfs/dbraw/zinc/09/15/80/344091580.db2.gz NHFQANMIPIUXPS-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Clc1noc(-c2cscn2)n1 156595843 344091588 /nfs/dbraw/zinc/09/15/88/344091588.db2.gz NJAKXAKMOMHDOG-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN CCOc1nc(Br)no1 156578747 344091595 /nfs/dbraw/zinc/09/15/95/344091595.db2.gz JXKXHNJCSPEVCW-UHFFFAOYSA-N 0 0 193.000 1.231 10 0 ADAERN C[C@@H]1C[C@H]([C@H](F)C(=O)[O-])CC[N@@H+]1C 156584512 344091597 /nfs/dbraw/zinc/09/15/97/344091597.db2.gz NRBRDTHSBACCIM-PRJMDXOYSA-N 0 0 189.230 1.139 10 0 ADAERN Fc1ccc(-c2c[nH]c(=S)[nH]2)nc1 156588079 344091602 /nfs/dbraw/zinc/09/16/02/344091602.db2.gz SULYMNZNSMUACU-UHFFFAOYSA-N 0 0 195.222 1.900 10 0 ADAERN Clc1noc(C[C@H]2CCCO2)n1 156591885 344091604 /nfs/dbraw/zinc/09/16/04/344091604.db2.gz IKLGUSCRZPYUBS-RXMQYKEDSA-N 0 0 188.614 1.445 10 0 ADAERN C[C@H]1OCC[C@@H]1c1nc(Cl)no1 156589481 344091610 /nfs/dbraw/zinc/09/16/10/344091610.db2.gz ADGHKGAAECJAPC-UHNVWZDZSA-N 0 0 188.614 1.615 10 0 ADAERN Clc1noc(-c2cn[nH]c2)n1 156585942 344091626 /nfs/dbraw/zinc/09/16/26/344091626.db2.gz QZRADUVDZMODAP-UHFFFAOYSA-N 0 0 170.559 1.113 10 0 ADAERN Clc1noc([C@@H]2CCCCO2)n1 156588076 344091628 /nfs/dbraw/zinc/09/16/28/344091628.db2.gz DOSCZNNXNHRYJA-YFKPBYRVSA-N 0 0 188.614 1.965 10 0 ADAERN Clc1noc(C2CCC2)n1 156592803 344091631 /nfs/dbraw/zinc/09/16/31/344091631.db2.gz ONNHZHRQEFWYLA-UHFFFAOYSA-N 0 0 158.588 1.991 10 0 ADAERN C[C@H]1C/C(=C(\F)C(=O)[O-])CC[N@@H+]1C 156583168 344091632 /nfs/dbraw/zinc/09/16/32/344091632.db2.gz QLFDBLCIRKSEFM-WXIAHEHCSA-N 0 0 187.214 1.409 10 0 ADAERN C/C(C(=O)[O-])=C1/CC[N@H+](C)[C@H](C)C1 156582479 344091636 /nfs/dbraw/zinc/09/16/36/344091636.db2.gz ASMMSVFLLLPXJE-BDGYDECCSA-N 0 0 183.251 1.502 10 0 ADAERN C[C@H]1CC[C@@H](c2nc(Cl)no2)O1 156586588 344091639 /nfs/dbraw/zinc/09/16/39/344091639.db2.gz BGAPUMCRBVYQFI-WHFBIAKZSA-N 0 0 188.614 1.963 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nc(Cl)no1 156586710 344091640 /nfs/dbraw/zinc/09/16/40/344091640.db2.gz UNJIOENIRYYXPM-UHNVWZDZSA-N 0 0 188.614 1.821 10 0 ADAERN Clc1noc(C[C@@H]2CCCO2)n1 156591999 344091641 /nfs/dbraw/zinc/09/16/41/344091641.db2.gz IKLGUSCRZPYUBS-YFKPBYRVSA-N 0 0 188.614 1.445 10 0 ADAERN Nc1cc[nH+]cc1C(=O)C(F)F 156620477 344091810 /nfs/dbraw/zinc/09/18/10/344091810.db2.gz ZSUHRJPMLDNMDF-UHFFFAOYSA-N 0 0 172.134 1.112 10 0 ADAERN O=C(Cc1nccs1)C(F)F 156620714 344091846 /nfs/dbraw/zinc/09/18/46/344091846.db2.gz IIYPUHFOYSELLK-UHFFFAOYSA-N 0 0 177.175 1.520 10 0 ADAERN CCOCc1nc(Cl)no1 156597303 344091927 /nfs/dbraw/zinc/09/19/27/344091927.db2.gz WEKHYPPNXYKVGY-UHFFFAOYSA-N 0 0 162.576 1.260 10 0 ADAERN c1csc([C@@H]2CO2)n1 156603948 344091966 /nfs/dbraw/zinc/09/19/66/344091966.db2.gz AIQZYHJKSCWOCF-BYPYZUCNSA-N 0 0 127.168 1.214 10 0 ADAERN Oc1ccc(-c2cncc(F)c2)nc1 156617798 344091973 /nfs/dbraw/zinc/09/19/73/344091973.db2.gz ZGCXWCFEAXIJFU-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Clc1noc(C2CCOCC2)n1 156599930 344091978 /nfs/dbraw/zinc/09/19/78/344091978.db2.gz ZALUONJTCAECDB-UHFFFAOYSA-N 0 0 188.614 1.617 10 0 ADAERN Cc1ncoc1-c1nc(Cl)no1 156599287 344091997 /nfs/dbraw/zinc/09/19/97/344091997.db2.gz RSFDYAFDFCGGKI-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN c1csc([C@H]2CO2)n1 156610429 344092020 /nfs/dbraw/zinc/09/20/20/344092020.db2.gz AIQZYHJKSCWOCF-SCSAIBSYSA-N 0 0 127.168 1.214 10 0 ADAERN Clc1noc([C@H]2CCOC2)n1 156599801 344092040 /nfs/dbraw/zinc/09/20/40/344092040.db2.gz TYTWFOSNAFYGIS-BYPYZUCNSA-N 0 0 174.587 1.227 10 0 ADAERN Cc1cc(-c2nc(Cl)no2)no1 156598498 344092089 /nfs/dbraw/zinc/09/20/89/344092089.db2.gz LHSFHHAHIMTZBS-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN Clc1noc([C@@H]2CCSC2)n1 156597840 344092127 /nfs/dbraw/zinc/09/21/27/344092127.db2.gz NGZVTBRTGGSGMA-SCSAIBSYSA-N 0 0 190.655 1.944 10 0 ADAERN Cc1cncc(C(=O)C(F)F)c1 156619405 344092212 /nfs/dbraw/zinc/09/22/12/344092212.db2.gz UMFFRKNABPQUFM-UHFFFAOYSA-N 0 0 171.146 1.838 10 0 ADAERN Clc1noc([C@@H]2CCOC2)n1 156599681 344092229 /nfs/dbraw/zinc/09/22/29/344092229.db2.gz TYTWFOSNAFYGIS-SCSAIBSYSA-N 0 0 174.587 1.227 10 0 ADAERN O=C(c1cncc(F)c1)C(F)F 156619543 344092232 /nfs/dbraw/zinc/09/22/32/344092232.db2.gz XSBBWYGYHFEWSM-UHFFFAOYSA-N 0 0 175.109 1.669 10 0 ADAERN Cc1ccncc1C(=O)C(F)F 156618559 344092255 /nfs/dbraw/zinc/09/22/55/344092255.db2.gz QOUCBSYWXBRPAM-UHFFFAOYSA-N 0 0 171.146 1.838 10 0 ADAERN Clc1noc([C@H]2CCSC2)n1 156597961 344092259 /nfs/dbraw/zinc/09/22/59/344092259.db2.gz NGZVTBRTGGSGMA-BYPYZUCNSA-N 0 0 190.655 1.944 10 0 ADAERN Cc1[nH]ncc1-c1nc(Cl)no1 156600207 344092281 /nfs/dbraw/zinc/09/22/81/344092281.db2.gz ZRPGKHYIYGHVFN-UHFFFAOYSA-N 0 0 184.586 1.422 10 0 ADAERN CNC(=O)c1cccc(N)c1Cl 156618830 344092311 /nfs/dbraw/zinc/09/23/11/344092311.db2.gz SWDQXKDACCQUOX-UHFFFAOYSA-N 0 0 184.626 1.282 10 0 ADAERN Clc1noc(CC2CC2)n1 156597563 344092314 /nfs/dbraw/zinc/09/23/14/344092314.db2.gz BJZOEDFFZMKSOD-UHFFFAOYSA-N 0 0 158.588 1.676 10 0 ADAERN O=C(C1CCOCC1)C(F)(F)Cl 156631244 344092553 /nfs/dbraw/zinc/09/25/53/344092553.db2.gz GTPCFWVVHONWSR-UHFFFAOYSA-N 0 0 198.596 1.814 10 0 ADAERN CC[C@H](C)[C@H]1CC[C@H](C(=O)[O-])[NH2+]1 156640995 344092599 /nfs/dbraw/zinc/09/25/99/344092599.db2.gz SCYSGUMSXSFGPQ-XLPZGREQSA-N 0 0 171.240 1.238 10 0 ADAERN Cn1ccnc1Cc1cccc(O)c1 156626712 344092608 /nfs/dbraw/zinc/09/26/08/344092608.db2.gz MPHPOMPIWQHZPG-UHFFFAOYSA-N 0 0 188.230 1.717 10 0 ADAERN CC[C@H](C)[C@@H]1CC[C@H](C(=O)[O-])[NH2+]1 156640738 344092626 /nfs/dbraw/zinc/09/26/26/344092626.db2.gz SCYSGUMSXSFGPQ-BIIVOSGPSA-N 0 0 171.240 1.238 10 0 ADAERN Oc1ccc(Cc2ccccn2)nc1 156623470 344092657 /nfs/dbraw/zinc/09/26/57/344092657.db2.gz CBEIDRYTOOEGHB-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN Cn1ccnc1-c1ccc(O)cn1 156621969 344092662 /nfs/dbraw/zinc/09/26/62/344092662.db2.gz ZXRYLWMVVBUPEI-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN O=C(Cc1ccco1)C(F)F 156625129 344092684 /nfs/dbraw/zinc/09/26/84/344092684.db2.gz WJLBMXLXSPDWIM-UHFFFAOYSA-N 0 0 160.119 1.656 10 0 ADAERN Oc1cccc(-c2cnccn2)c1 156622239 344092736 /nfs/dbraw/zinc/09/27/36/344092736.db2.gz UMVRGASPEUGOOX-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN O=C(Cc1ccoc1)C(F)F 156625266 344092754 /nfs/dbraw/zinc/09/27/54/344092754.db2.gz CXMOARGWTZEFHT-UHFFFAOYSA-N 0 0 160.119 1.656 10 0 ADAERN Cn1nccc1C(=O)C(F)(F)Cl 156636652 344092771 /nfs/dbraw/zinc/09/27/71/344092771.db2.gz RBGVHUFJNAJUNV-UHFFFAOYSA-N 0 0 194.568 1.434 10 0 ADAERN O=C(C1CC1)C(F)(F)Cl 156629947 344092825 /nfs/dbraw/zinc/09/28/25/344092825.db2.gz YOEGXDUEMZPETJ-UHFFFAOYSA-N 0 0 154.543 1.797 10 0 ADAERN CCC(=O)C(F)(F)Cl 156632727 344092886 /nfs/dbraw/zinc/09/28/86/344092886.db2.gz SUGPXAGJFKHCGZ-UHFFFAOYSA-N 0 0 142.532 1.797 10 0 ADAERN O[C@H](CC1CCOCC1)C(F)F 156659755 344093187 /nfs/dbraw/zinc/09/31/87/344093187.db2.gz AQSYZDQWECNHQB-SSDOTTSWSA-N 0 0 180.194 1.429 10 0 ADAERN O[C@@H](c1cncnc1)C(F)(F)Cl 156647993 344093242 /nfs/dbraw/zinc/09/32/42/344093242.db2.gz AWCHTUIPLRIGTQ-YFKPBYRVSA-N 0 0 194.568 1.342 10 0 ADAERN O[C@H](Cc1ccco1)C(F)F 156667674 344093289 /nfs/dbraw/zinc/09/32/89/344093289.db2.gz IIARSMMPRGAODL-ZCFIWIBFSA-N 0 0 162.135 1.448 10 0 ADAERN CC(C)n1ncc2c(NN)ccnc21 156677231 344093321 /nfs/dbraw/zinc/09/33/21/344093321.db2.gz WGHWJGDCOCBYNP-UHFFFAOYSA-N 0 0 191.238 1.298 10 0 ADAERN O[C@H](Cc1ccsc1)C(F)F 156667392 344093348 /nfs/dbraw/zinc/09/33/48/344093348.db2.gz JKVCRTAGXAOMSU-ZCFIWIBFSA-N 0 0 178.203 1.917 10 0 ADAERN CCn1nccc1[C@@H](O)C(F)F 156660903 344093393 /nfs/dbraw/zinc/09/33/93/344093393.db2.gz RUGNDDZNZYMGMT-ZCFIWIBFSA-N 0 0 176.166 1.202 10 0 ADAERN Cn1ccnc1[C@H](O)C(F)(F)Cl 156647458 344093388 /nfs/dbraw/zinc/09/33/88/344093388.db2.gz YRJHKLLBKZGQRO-BYPYZUCNSA-N 0 0 196.584 1.285 10 0 ADAERN O[C@@H](Cc1ccsc1)C(F)F 156667255 344093402 /nfs/dbraw/zinc/09/34/02/344093402.db2.gz JKVCRTAGXAOMSU-LURJTMIESA-N 0 0 178.203 1.917 10 0 ADAERN Cn1cc([C@H](O)C(F)(F)Cl)cn1 156655081 344093410 /nfs/dbraw/zinc/09/34/10/344093410.db2.gz XNMLZGGPGYSDFT-YFKPBYRVSA-N 0 0 196.584 1.285 10 0 ADAERN O[C@H](c1cnccn1)C(F)(F)Cl 156647862 344093422 /nfs/dbraw/zinc/09/34/22/344093422.db2.gz HWHAEUXSFGYEFI-RXMQYKEDSA-N 0 0 194.568 1.342 10 0 ADAERN O[C@@H](c1cnccn1)C(F)(F)Cl 156647734 344093451 /nfs/dbraw/zinc/09/34/51/344093451.db2.gz HWHAEUXSFGYEFI-YFKPBYRVSA-N 0 0 194.568 1.342 10 0 ADAERN CNc1ccnc2c1cnn2C 156675781 344093461 /nfs/dbraw/zinc/09/34/61/344093461.db2.gz UKABSNFBSVJAJU-UHFFFAOYSA-N 0 0 162.196 1.010 10 0 ADAERN Cc1cncc([C@@H](O)C(F)F)c1 156656893 344093464 /nfs/dbraw/zinc/09/34/64/344093464.db2.gz OMHFLKHTLLJXPQ-SSDOTTSWSA-N 0 0 173.162 1.689 10 0 ADAERN O[C@H](c1cncnc1)C(F)(F)Cl 156648120 344093468 /nfs/dbraw/zinc/09/34/68/344093468.db2.gz AWCHTUIPLRIGTQ-RXMQYKEDSA-N 0 0 194.568 1.342 10 0 ADAERN O[C@@H](CC1CCOCC1)C(F)F 156659639 344093469 /nfs/dbraw/zinc/09/34/69/344093469.db2.gz AQSYZDQWECNHQB-ZETCQYMHSA-N 0 0 180.194 1.429 10 0 ADAERN Oc1ccc(F)cc1-c1cncnc1 156701065 344093712 /nfs/dbraw/zinc/09/37/12/344093712.db2.gz SQEDPXCHXKYVNX-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Oc1ccc(-c2cncnc2)c(F)c1 156700773 344093828 /nfs/dbraw/zinc/09/38/28/344093828.db2.gz ATDGFDYRIMWRQN-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Oc1cncc(-c2cncc(F)c2)c1 156690737 344093849 /nfs/dbraw/zinc/09/38/49/344093849.db2.gz SOLXMOYKSTZCST-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Cn1cc(-c2cncc(O)c2)cn1 156688552 344093980 /nfs/dbraw/zinc/09/39/80/344093980.db2.gz KAWXRVPGHUPXQW-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Oc1ccc(-c2cncnc2)cc1F 156701525 344093986 /nfs/dbraw/zinc/09/39/86/344093986.db2.gz AONGSLXUJWARCP-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Cc1cc(C2CC2)c[nH]c1=O 156703717 344093991 /nfs/dbraw/zinc/09/39/91/344093991.db2.gz NNDFBTHPDPXVKR-UHFFFAOYSA-N 0 0 149.193 1.561 10 0 ADAERN Cc1c(C=O)csc1C(=O)N(C)C 156705542 344094118 /nfs/dbraw/zinc/09/41/18/344094118.db2.gz OXIVNYUNIQLVAN-UHFFFAOYSA-N 0 0 197.259 1.571 10 0 ADAERN CCn1cc(-c2ncccc2O)cn1 156696849 344094125 /nfs/dbraw/zinc/09/41/25/344094125.db2.gz FSLOASQDQFORRI-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN Cn1cc(-c2ncccc2O)cn1 156689289 344094127 /nfs/dbraw/zinc/09/41/27/344094127.db2.gz GEKZCCIFFBLTJI-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cc1c(CO)csc1C(=O)N(C)C 156708708 344094131 /nfs/dbraw/zinc/09/41/31/344094131.db2.gz CDWCVFYQRWZNNM-UHFFFAOYSA-N 0 0 199.275 1.251 10 0 ADAERN Cn1cc(-c2ccc(O)c(F)c2)cn1 156689592 344094174 /nfs/dbraw/zinc/09/41/74/344094174.db2.gz VFURGGWKWFOMCT-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CC[C@@H](NO)c1ccc(F)cn1 156683041 344094212 /nfs/dbraw/zinc/09/42/12/344094212.db2.gz YYZYUWFNIPJVRG-SSDOTTSWSA-N 0 0 170.187 1.651 10 0 ADAERN Cn1nccc1-c1ncccc1O 156744948 344094606 /nfs/dbraw/zinc/09/46/06/344094606.db2.gz QVXMCGGFBPUZID-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1nccc1-c1ccc(O)c(F)c1 156745245 344094649 /nfs/dbraw/zinc/09/46/49/344094649.db2.gz MQAOOZCTRPNJOW-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN Cn1nccc1-c1cc(O)cc(F)c1 156744178 344094663 /nfs/dbraw/zinc/09/46/63/344094663.db2.gz AHOTWDHPKDLXGE-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN Cn1nccc1-c1ccc(O)cc1F 156744646 344094668 /nfs/dbraw/zinc/09/46/68/344094668.db2.gz BJPQFVADQCGEEU-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN CCn1nccc1-c1cncc(O)c1 156742530 344094686 /nfs/dbraw/zinc/09/46/86/344094686.db2.gz RKYMANDVKZGBSU-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN OCc1ccc(F)c(Cl)n1 156753191 344094693 /nfs/dbraw/zinc/09/46/93/344094693.db2.gz GNCWSRCGJVDMIN-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN Cn1ccnc1-c1cncc(O)c1 156749746 344094779 /nfs/dbraw/zinc/09/47/79/344094779.db2.gz ZCTIDCGGYNYGJO-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1nccc1-c1cncc(O)c1 156744479 344094832 /nfs/dbraw/zinc/09/48/32/344094832.db2.gz XGKVGTCKKHCMKF-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN CC(C)(C)OCC1N=NC(=S)N1 156782310 344095224 /nfs/dbraw/zinc/09/52/24/344095224.db2.gz WHBPTYFTQPUDKC-UHFFFAOYSA-N 0 0 187.268 1.409 10 0 ADAERN Cc1cc(C(C)C)c[nH]c1=O 156762156 344095214 /nfs/dbraw/zinc/09/52/14/344095214.db2.gz MDMCKVBDKYOBNS-UHFFFAOYSA-N 0 0 151.209 1.807 10 0 ADAERN CC[C@@H](C)c1nnc(NC)n1C 156771705 344095218 /nfs/dbraw/zinc/09/52/18/344095218.db2.gz LFJNGXCGBRSSDZ-ZCFIWIBFSA-N 0 0 168.244 1.370 10 0 ADAERN Oc1cccnc1-c1cnccn1 156754797 344095274 /nfs/dbraw/zinc/09/52/74/344095274.db2.gz XBWPWBRSULGGPX-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Oc1ccc(F)cc1-c1cnccn1 156754661 344095279 /nfs/dbraw/zinc/09/52/79/344095279.db2.gz DCVCBJXKVAVRFN-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN CCCCc1nnc(NC)n1C 156771409 344095287 /nfs/dbraw/zinc/09/52/87/344095287.db2.gz WRIHSBUUVWINRK-UHFFFAOYSA-N 0 0 168.244 1.199 10 0 ADAERN Oc1ccc(-c2cnccn2)cc1F 156755110 344095318 /nfs/dbraw/zinc/09/53/18/344095318.db2.gz ARGIUVJRYIYKED-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Cc1nnc(COC(C)(C)C)[nH]1 156781865 344095335 /nfs/dbraw/zinc/09/53/35/344095335.db2.gz LCAVZDAJDLPUHQ-UHFFFAOYSA-N 0 0 169.228 1.428 10 0 ADAERN Cc1nnc(COC(C)C)[nH]1 156782014 344095340 /nfs/dbraw/zinc/09/53/40/344095340.db2.gz WAWHVWVGEQJIEL-UHFFFAOYSA-N 0 0 155.201 1.038 10 0 ADAERN CC(C)OCC1N=NC(=S)N1C 156782616 344095344 /nfs/dbraw/zinc/09/53/44/344095344.db2.gz CSRCODCTIGDEJP-UHFFFAOYSA-N 0 0 187.268 1.029 10 0 ADAERN CC(C)OCC1N=NC(=S)N1 156782467 344095347 /nfs/dbraw/zinc/09/53/47/344095347.db2.gz FYWRPAUMOWGSGV-UHFFFAOYSA-N 0 0 173.241 1.018 10 0 ADAERN CC(C)Cc1cncc(O)c1 156761441 344095440 /nfs/dbraw/zinc/09/54/40/344095440.db2.gz COSPWIFYMMEFHO-UHFFFAOYSA-N 0 0 151.209 1.986 10 0 ADAERN CC[C@H](C)c1nnc(NC)n1C 156771851 344095443 /nfs/dbraw/zinc/09/54/43/344095443.db2.gz LFJNGXCGBRSSDZ-LURJTMIESA-N 0 0 168.244 1.370 10 0 ADAERN Oc1cncc(Cc2nccs2)c1 156821043 344095749 /nfs/dbraw/zinc/09/57/49/344095749.db2.gz AJXCHGFPRXPACF-UHFFFAOYSA-N 0 0 192.243 1.835 10 0 ADAERN CC(C)OCc1nc(N)ns1 156792702 344095822 /nfs/dbraw/zinc/09/58/22/344095822.db2.gz XEKHZTXMMONJMB-UHFFFAOYSA-N 0 0 173.241 1.045 10 0 ADAERN CC(C)(C)OCc1nc(N)ns1 156792561 344095881 /nfs/dbraw/zinc/09/58/81/344095881.db2.gz PXLVPUZWGOIBKY-UHFFFAOYSA-N 0 0 187.268 1.435 10 0 ADAERN CCOc1c(F)cccc1CO 156798711 344095918 /nfs/dbraw/zinc/09/59/18/344095918.db2.gz FIGPEVAXKYAXAA-UHFFFAOYSA-N 0 0 170.183 1.717 10 0 ADAERN Cn1ccnc1Cc1cncc(O)c1 156798612 344095987 /nfs/dbraw/zinc/09/59/87/344095987.db2.gz CLKXQXBQFDHSPW-UHFFFAOYSA-N 0 0 189.218 1.112 10 0 ADAERN Cn1ccnc1Cc1ncccc1O 156799534 344096027 /nfs/dbraw/zinc/09/60/27/344096027.db2.gz NSSMFIPVNCJJBO-UHFFFAOYSA-N 0 0 189.218 1.112 10 0 ADAERN Oc1cccnc1Cc1nccs1 156822023 344096044 /nfs/dbraw/zinc/09/60/44/344096044.db2.gz WLBHOWJBYBXZQQ-UHFFFAOYSA-N 0 0 192.243 1.835 10 0 ADAERN CC(C)OCc1nc(Cl)no1 156785637 344096100 /nfs/dbraw/zinc/09/61/00/344096100.db2.gz NLQUVMAJGVUTIU-UHFFFAOYSA-N 0 0 176.603 1.648 10 0 ADAERN CC[C@@H](NCCCC1CC1)C(=O)OC 156837201 344096390 /nfs/dbraw/zinc/09/63/90/344096390.db2.gz DIYRFMWLDCICDJ-SNVBAGLBSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H](NCCCC1CC1)C(=O)OC 156837060 344096699 /nfs/dbraw/zinc/09/66/99/344096699.db2.gz DIYRFMWLDCICDJ-JTQLQIEISA-N 0 0 199.294 1.718 10 0 ADAERN CONC(=O)Nc1ccccc1OC 156878163 344097398 /nfs/dbraw/zinc/09/73/98/344097398.db2.gz HDCDELRBBDZYHC-UHFFFAOYSA-N 0 0 196.206 1.378 10 0 ADAERN CCCNc1nccn2nccc12 156926974 344097584 /nfs/dbraw/zinc/09/75/84/344097584.db2.gz PBSJJVIUFDABIX-UHFFFAOYSA-N 0 0 176.223 1.551 10 0 ADAERN Cc1cc2c(NC(C)C)nccn2n1 156927139 344097660 /nfs/dbraw/zinc/09/76/60/344097660.db2.gz JVODGSSKFMQATM-UHFFFAOYSA-N 0 0 190.250 1.858 10 0 ADAERN CC(C)c1cc2c(N)nccn2n1 156937532 344097715 /nfs/dbraw/zinc/09/77/15/344097715.db2.gz PBSVQVGCIFYZFA-UHFFFAOYSA-N 0 0 176.223 1.435 10 0 ADAERN CC(C)CNc1nccn2nccc12 156929410 344097732 /nfs/dbraw/zinc/09/77/32/344097732.db2.gz NUKXOSPSLXJFHR-UHFFFAOYSA-N 0 0 190.250 1.797 10 0 ADAERN Cc1cc2c(=S)[nH]ccn2n1 156916232 344097804 /nfs/dbraw/zinc/09/78/04/344097804.db2.gz GOYRBUCGXLURCB-UHFFFAOYSA-N 0 0 165.221 1.326 10 0 ADAERN CC(C)(C)c1cc2c(N)nccn2n1 156937689 344097808 /nfs/dbraw/zinc/09/78/08/344097808.db2.gz KFLYRWZRMLMZSL-UHFFFAOYSA-N 0 0 190.250 1.609 10 0 ADAERN S=c1[nH]ccn2nccc12 156916579 344097830 /nfs/dbraw/zinc/09/78/30/344097830.db2.gz OZQMYQNNYKPUDW-UHFFFAOYSA-N 0 0 151.194 1.018 10 0 ADAERN c1cn2nccc2c(NC2CC2)n1 156929054 344097861 /nfs/dbraw/zinc/09/78/61/344097861.db2.gz COQOIVWSDWSVSJ-UHFFFAOYSA-N 0 0 174.207 1.304 10 0 ADAERN CNc1nccn2nc(C)cc12 156930178 344097894 /nfs/dbraw/zinc/09/78/94/344097894.db2.gz YMFONGPHYTZFRA-UHFFFAOYSA-N 0 0 162.196 1.079 10 0 ADAERN CCNc1nccn2nc(C)cc12 156931283 344097905 /nfs/dbraw/zinc/09/79/05/344097905.db2.gz CASMGQBIVSLJJE-UHFFFAOYSA-N 0 0 176.223 1.470 10 0 ADAERN CCNc1nccn2nccc12 156931954 344097978 /nfs/dbraw/zinc/09/79/78/344097978.db2.gz CKMVIBCADGDAGE-UHFFFAOYSA-N 0 0 162.196 1.161 10 0 ADAERN CC(C)Nc1nccn2nccc12 156927462 344097987 /nfs/dbraw/zinc/09/79/87/344097987.db2.gz ALFHFTSTCQCIID-UHFFFAOYSA-N 0 0 176.223 1.550 10 0 ADAERN CNc1nccn2nc(C(C)C)cc12 156930336 344097991 /nfs/dbraw/zinc/09/79/91/344097991.db2.gz VJFOECAGOIAHIW-UHFFFAOYSA-N 0 0 190.250 1.894 10 0 ADAERN CCc1cc(NC(=O)C2CC2)n[nH]1 156981445 344098237 /nfs/dbraw/zinc/09/82/37/344098237.db2.gz MNWDCULKEAXAMD-UHFFFAOYSA-N 0 0 179.223 1.321 10 0 ADAERN FC(F)CNc1nccn2nccc12 156965202 344098266 /nfs/dbraw/zinc/09/82/66/344098266.db2.gz ICQFHVCUFBYEIC-UHFFFAOYSA-N 0 0 198.176 1.406 10 0 ADAERN CCc1cc(NC(=O)C(C)C)n[nH]1 156980759 344098275 /nfs/dbraw/zinc/09/82/75/344098275.db2.gz DEPCFEUHKHIJLQ-UHFFFAOYSA-N 0 0 181.239 1.567 10 0 ADAERN CCC(=O)Nc1cc(CC)[nH]n1 156981284 344098417 /nfs/dbraw/zinc/09/84/17/344098417.db2.gz LRZRFQHQUNJHIF-UHFFFAOYSA-N 0 0 167.212 1.321 10 0 ADAERN CCc1cc(NC(=O)C2CCC2)n[nH]1 156982436 344098454 /nfs/dbraw/zinc/09/84/54/344098454.db2.gz IXSAPUWESZNYHE-UHFFFAOYSA-N 0 0 193.250 1.711 10 0 ADAERN CCc1cc(NC(=O)CC(C)C)n[nH]1 156981603 344098505 /nfs/dbraw/zinc/09/85/05/344098505.db2.gz KFJGOWFZAGIVPA-UHFFFAOYSA-N 0 0 195.266 1.957 10 0 ADAERN C[C@@](O)(Cc1cncs1)C1CC1 156991209 344098865 /nfs/dbraw/zinc/09/88/65/344098865.db2.gz HPEZBXKAXKTHHT-SECBINFHSA-N 0 0 183.276 1.847 10 0 ADAERN O=C1CCCN1[C@@H]1CCCCC[C@@H]1O 156987575 344098794 /nfs/dbraw/zinc/09/87/94/344098794.db2.gz VXPUKETWLXEMTL-ZJUUUORDSA-N 0 0 197.278 1.302 10 0 ADAERN O=C1CCCN1[C@@H]1CCCCC[C@H]1O 156987278 344098801 /nfs/dbraw/zinc/09/88/01/344098801.db2.gz VXPUKETWLXEMTL-NXEZZACHSA-N 0 0 197.278 1.302 10 0 ADAERN CC(=O)[C@@H](C)Cc1cncs1 156982474 344098806 /nfs/dbraw/zinc/09/88/06/344098806.db2.gz QGJQKNCUQVGVDH-LURJTMIESA-N 0 0 169.249 1.911 10 0 ADAERN O=C1OCCN1[C@H]1CCCCC[C@@H]1O 156988037 344098809 /nfs/dbraw/zinc/09/88/09/344098809.db2.gz NTDOFRUGVJHKFF-IUCAKERBSA-N 0 0 199.250 1.132 10 0 ADAERN CC(C)[C@@H](O)Cc1cncs1 156992618 344098829 /nfs/dbraw/zinc/09/88/29/344098829.db2.gz FYVNCGWWXGNNLE-QMMMGPOBSA-N 0 0 171.265 1.703 10 0 ADAERN O[C@@H](Cc1cncs1)C1CCC1 156997364 344098838 /nfs/dbraw/zinc/09/88/38/344098838.db2.gz JKOMOHAXQJMABF-VIFPVBQESA-N 0 0 183.276 1.847 10 0 ADAERN OC1(Cc2cncs2)CCCC1 156990158 344098853 /nfs/dbraw/zinc/09/88/53/344098853.db2.gz ILSXVRFOCVHZPR-UHFFFAOYSA-N 0 0 183.276 1.991 10 0 ADAERN CCc1cc(NC(=O)[C@H]2C[C@@H]2C)n[nH]1 156982792 344098868 /nfs/dbraw/zinc/09/88/68/344098868.db2.gz NNDUUTZDHBPXHW-XPUUQOCRSA-N 0 0 193.250 1.567 10 0 ADAERN CC(C)[C@H](O)Cc1cncs1 156992496 344098876 /nfs/dbraw/zinc/09/88/76/344098876.db2.gz FYVNCGWWXGNNLE-MRVPVSSYSA-N 0 0 171.265 1.703 10 0 ADAERN CCc1cc(NC(=O)CSC)n[nH]1 156984169 344098879 /nfs/dbraw/zinc/09/88/79/344098879.db2.gz QTVKWNLZRHJLQV-UHFFFAOYSA-N 0 0 199.279 1.274 10 0 ADAERN O=C1OCCN1[C@@H]1CCCCC[C@H]1O 156987893 344098901 /nfs/dbraw/zinc/09/89/01/344098901.db2.gz NTDOFRUGVJHKFF-RKDXNWHRSA-N 0 0 199.250 1.132 10 0 ADAERN O[C@H](Cc1cncs1)C1CCC1 156997494 344098904 /nfs/dbraw/zinc/09/89/04/344098904.db2.gz JKOMOHAXQJMABF-SECBINFHSA-N 0 0 183.276 1.847 10 0 ADAERN CCC(=O)Cc1cncs1 157000091 344098906 /nfs/dbraw/zinc/09/89/06/344098906.db2.gz JHNLEYUEHZULJX-UHFFFAOYSA-N 0 0 155.222 1.665 10 0 ADAERN C[C@](O)(Cc1cncs1)C1CC1 156991355 344098915 /nfs/dbraw/zinc/09/89/15/344098915.db2.gz HPEZBXKAXKTHHT-VIFPVBQESA-N 0 0 183.276 1.847 10 0 ADAERN CCc1cc(NC(=O)CC2CC2)n[nH]1 156985345 344098922 /nfs/dbraw/zinc/09/89/22/344098922.db2.gz YMNXYQDSROXLEN-UHFFFAOYSA-N 0 0 193.250 1.711 10 0 ADAERN O=C1CCCN1[C@H]1CCCCC[C@@H]1O 156987418 344098927 /nfs/dbraw/zinc/09/89/27/344098927.db2.gz VXPUKETWLXEMTL-UWVGGRQHSA-N 0 0 197.278 1.302 10 0 ADAERN CC(C)C(=O)Cc1cncs1 156999925 344098932 /nfs/dbraw/zinc/09/89/32/344098932.db2.gz JGNZNIFTDKQKBQ-UHFFFAOYSA-N 0 0 169.249 1.911 10 0 ADAERN Cc1nn(C)c2[nH]cc(Cl)c(=O)c12 156989512 344098949 /nfs/dbraw/zinc/09/89/49/344098949.db2.gz MGXCVOSOUOFYIS-UHFFFAOYSA-N 0 0 197.625 1.223 10 0 ADAERN OCCCSCc1cncs1 156989140 344098954 /nfs/dbraw/zinc/09/89/54/344098954.db2.gz 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157236801 344102000 /nfs/dbraw/zinc/10/20/00/344102000.db2.gz SGINOTOMDYRWLS-IUCAKERBSA-N 0 0 185.267 1.158 10 0 ADAERN CCC(=O)Nc1n[nH]cc1CC 157253816 344102099 /nfs/dbraw/zinc/10/20/99/344102099.db2.gz YXFUWDHIMUKHEL-UHFFFAOYSA-N 0 0 167.212 1.321 10 0 ADAERN C[C@H](O)C[C@@H](C)N1CCCCC1=O 157236952 344102129 /nfs/dbraw/zinc/10/21/29/344102129.db2.gz SGINOTOMDYRWLS-BDAKNGLRSA-N 0 0 185.267 1.158 10 0 ADAERN CN(C)Nc1ncc(F)cc1F 157254779 344102159 /nfs/dbraw/zinc/10/21/59/344102159.db2.gz SZOUCTGCQLRUTL-UHFFFAOYSA-N 0 0 173.166 1.248 10 0 ADAERN CC[C@H]1CCCCCN1C(N)=O 157247002 344102176 /nfs/dbraw/zinc/10/21/76/344102176.db2.gz VCKRRAWZJUMYFY-QMMMGPOBSA-N 0 0 170.256 1.720 10 0 ADAERN O=C1OCCN1CC1(O)CCCCC1 157264146 344102507 /nfs/dbraw/zinc/10/25/07/344102507.db2.gz ZRUXXQRAQWVOPA-UHFFFAOYSA-N 0 0 199.250 1.134 10 0 ADAERN O=C1CCCN1CC1(O)CCCCC1 157263858 344102568 /nfs/dbraw/zinc/10/25/68/344102568.db2.gz QVGCPMYFSFGVAP-UHFFFAOYSA-N 0 0 197.278 1.304 10 0 ADAERN OCc1ccc(Cl)c(F)n1 157257764 344102723 /nfs/dbraw/zinc/10/27/23/344102723.db2.gz JAJYALJHURLRFA-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN C[C@H](O)/C=C/C1CCC1 157348629 344104192 /nfs/dbraw/zinc/10/41/92/344104192.db2.gz SBXPJCMFOCCUDJ-XPPMVYLVSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@@H](O)/C=C/c1ccc[nH]1 157316371 344103503 /nfs/dbraw/zinc/10/35/03/344103503.db2.gz QJSSYZRTHQLCLO-SMMXGFFBSA-N 0 0 137.182 1.409 10 0 ADAERN C[C@H](O)/C=C/c1cc[nH]c1 157319898 344103728 /nfs/dbraw/zinc/10/37/28/344103728.db2.gz RCNREXYWEOHXRP-AIYRYJHASA-N 0 0 137.182 1.409 10 0 ADAERN C[C@@](F)(C[NH3+])Cc1cccnc1 157322468 344103645 /nfs/dbraw/zinc/10/36/45/344103645.db2.gz ULYQSKBYADAQEX-VIFPVBQESA-N 0 0 168.215 1.311 10 0 ADAERN C[C@H](O)/C=C1/CCCSC1 157318712 344103673 /nfs/dbraw/zinc/10/36/73/344103673.db2.gz UFKDFPDKBBUYJL-BJMRUTCWSA-N 0 0 158.266 1.821 10 0 ADAERN C[C@H](O)/C=C/c1ccc[nH]1 157316225 344103699 /nfs/dbraw/zinc/10/36/99/344103699.db2.gz QJSSYZRTHQLCLO-KPJROHGDSA-N 0 0 137.182 1.409 10 0 ADAERN COC[C@@](C)(O)c1ccncc1F 157332912 344103709 /nfs/dbraw/zinc/10/37/09/344103709.db2.gz ZURJUCQKSADIKE-SECBINFHSA-N 0 0 185.198 1.075 10 0 ADAERN C/C(=C/[C@@H](C)O)c1cccnc1 157321871 344103721 /nfs/dbraw/zinc/10/37/21/344103721.db2.gz OOWCYCKJYHWOAK-JGAIRUGNSA-N 0 0 163.220 1.866 10 0 ADAERN Oc1ccc(Cc2cccnc2)nc1 157319291 344103742 /nfs/dbraw/zinc/10/37/42/344103742.db2.gz DNLZYDLEIOCQHL-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN C[C@@H](O)C=C1CCC1 157326835 344103748 /nfs/dbraw/zinc/10/37/48/344103748.db2.gz PUGMQUQMIUYIAN-ZCFIWIBFSA-N 0 0 112.172 1.478 10 0 ADAERN C/C(=C/[C@H](C)O)c1cccnc1 157321732 344103749 /nfs/dbraw/zinc/10/37/49/344103749.db2.gz OOWCYCKJYHWOAK-XZLDQRQTSA-N 0 0 163.220 1.866 10 0 ADAERN Oc1cncc(Cc2cccnc2)c1 157319899 344103752 /nfs/dbraw/zinc/10/37/52/344103752.db2.gz MOJATUKYJONMHZ-UHFFFAOYSA-N 0 0 186.214 1.773 10 0 ADAERN COC[C@](C)(O)c1ccncc1F 157333075 344103761 /nfs/dbraw/zinc/10/37/61/344103761.db2.gz ZURJUCQKSADIKE-VIFPVBQESA-N 0 0 185.198 1.075 10 0 ADAERN C[C@@H](O)/C=C1/CCCSC1 157318864 344103775 /nfs/dbraw/zinc/10/37/75/344103775.db2.gz UFKDFPDKBBUYJL-BESBCXERSA-N 0 0 158.266 1.821 10 0 ADAERN C[C@H](O)C=C1CCC1 157326705 344103784 /nfs/dbraw/zinc/10/37/84/344103784.db2.gz PUGMQUQMIUYIAN-LURJTMIESA-N 0 0 112.172 1.478 10 0 ADAERN C[C@](F)(C[NH3+])Cc1cccnc1 157322319 344103799 /nfs/dbraw/zinc/10/37/99/344103799.db2.gz ULYQSKBYADAQEX-SECBINFHSA-N 0 0 168.215 1.311 10 0 ADAERN C[C@@H](O)/C=C/c1cc[nH]c1 157320062 344103872 /nfs/dbraw/zinc/10/38/72/344103872.db2.gz RCNREXYWEOHXRP-TYWZFMJISA-N 0 0 137.182 1.409 10 0 ADAERN C[C@@H](O)/C=C/c1cccc(O)c1 157350931 344104050 /nfs/dbraw/zinc/10/40/50/344104050.db2.gz XEHCRPMUQCZPMX-HQZHTGGTSA-N 0 0 164.204 1.786 10 0 ADAERN C[C@H](O)/C=C/c1cccc(O)c1 157350783 344104069 /nfs/dbraw/zinc/10/40/69/344104069.db2.gz XEHCRPMUQCZPMX-GJIOHYHPSA-N 0 0 164.204 1.786 10 0 ADAERN C[C@H](O)C=C1C[C@H](C)O[C@@H](C)C1 157368264 344104073 /nfs/dbraw/zinc/10/40/73/344104073.db2.gz HFFBHNYYLVBEIO-CIUDSAMLSA-N 0 0 170.252 1.881 10 0 ADAERN O[C@]1(c2ccncc2F)CCCOC1 157344578 344104081 /nfs/dbraw/zinc/10/40/81/344104081.db2.gz XPJZSILDORFIIE-SNVBAGLBSA-N 0 0 197.209 1.219 10 0 ADAERN C[C@@H](O)C=C1CCOCC1 157364321 344104087 /nfs/dbraw/zinc/10/40/87/344104087.db2.gz DSXGSVIGDPEIKN-SSDOTTSWSA-N 0 0 142.198 1.104 10 0 ADAERN CCn1cccc1/C=C/[C@@H](C)O 157360482 344104304 /nfs/dbraw/zinc/10/43/04/344104304.db2.gz GXZRRJBWGFLKAM-XCODYQFDSA-N 0 0 165.236 1.902 10 0 ADAERN Cc1ncc(/C=C/[C@H](C)O)s1 157345496 344104334 /nfs/dbraw/zinc/10/43/34/344104334.db2.gz BWJCLBTVXRDIDU-YUDCMIJISA-N 0 0 169.249 1.846 10 0 ADAERN C[C@H]1CC(=C[C@@H](C)O)C[C@@H](C)O1 157367854 344104348 /nfs/dbraw/zinc/10/43/48/344104348.db2.gz HFFBHNYYLVBEIO-HLTSFMKQSA-N 0 0 170.252 1.881 10 0 ADAERN O[C@@]1(c2ccncc2F)CCCOC1 157344444 344104352 /nfs/dbraw/zinc/10/43/52/344104352.db2.gz XPJZSILDORFIIE-JTQLQIEISA-N 0 0 197.209 1.219 10 0 ADAERN C[C@H](O)C=C1C[C@H](C)O[C@H](C)C1 157368135 344104385 /nfs/dbraw/zinc/10/43/85/344104385.db2.gz HFFBHNYYLVBEIO-XHNCKOQMSA-N 0 0 170.252 1.881 10 0 ADAERN CC[NH+]1CCC(=C[C@H](C)O)CC1 157359714 344104390 /nfs/dbraw/zinc/10/43/90/344104390.db2.gz KZIIPMSLMZMHSJ-VIFPVBQESA-N 0 0 169.268 1.409 10 0 ADAERN CC[NH+]1CCC(=C[C@@H](C)O)CC1 157359566 344104455 /nfs/dbraw/zinc/10/44/55/344104455.db2.gz KZIIPMSLMZMHSJ-SECBINFHSA-N 0 0 169.268 1.409 10 0 ADAERN CCn1cccc1/C=C/[C@H](C)O 157360632 344104474 /nfs/dbraw/zinc/10/44/74/344104474.db2.gz GXZRRJBWGFLKAM-UCUJLANTSA-N 0 0 165.236 1.902 10 0 ADAERN C[C@H](O)C=C1CCOCC1 157364171 344104488 /nfs/dbraw/zinc/10/44/88/344104488.db2.gz DSXGSVIGDPEIKN-ZETCQYMHSA-N 0 0 142.198 1.104 10 0 ADAERN Cc1ncc(/C=C/[C@@H](C)O)s1 157345370 344104563 /nfs/dbraw/zinc/10/45/63/344104563.db2.gz BWJCLBTVXRDIDU-FCJGRKLLSA-N 0 0 169.249 1.846 10 0 ADAERN C[C@@H](O)/C=C/C1CCC1 157348782 344104589 /nfs/dbraw/zinc/10/45/89/344104589.db2.gz SBXPJCMFOCCUDJ-WEWAHIQMSA-N 0 0 126.199 1.724 10 0 ADAERN Cc1nn(C)cc1-c1ccon1 157389675 344104626 /nfs/dbraw/zinc/10/46/26/344104626.db2.gz CHGGLXQRKFUJJT-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN Cn1cc(-c2ccon2)cn1 157389378 344105172 /nfs/dbraw/zinc/10/51/72/344105172.db2.gz DAGBNTWKTNCLON-UHFFFAOYSA-N 0 0 149.153 1.075 10 0 ADAERN CC(C)(C)c1cc(=O)o[nH]1 157383727 344105097 /nfs/dbraw/zinc/10/50/97/344105097.db2.gz VEAVRDCRZPVBLF-UHFFFAOYSA-N 0 0 141.170 1.678 10 0 ADAERN CO[C@H](C)C(=O)c1ccncc1F 157398048 344105457 /nfs/dbraw/zinc/10/54/57/344105457.db2.gz MVFWGFTWYSMTOR-ZCFIWIBFSA-N 0 0 183.182 1.438 10 0 ADAERN O=c1cc(-c2ccc(F)c(F)c2)[nH][nH]1 157401416 344105460 /nfs/dbraw/zinc/10/54/60/344105460.db2.gz RMDZLVUJRRROQN-UHFFFAOYSA-N 0 0 196.156 1.189 10 0 ADAERN c1cc(-c2ccon2)ccn1 157394879 344105487 /nfs/dbraw/zinc/10/54/87/344105487.db2.gz SZLOEBKEYFCVRU-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN O=c1cc(-c2cccc(F)c2)[nH][nH]1 157401870 344105526 /nfs/dbraw/zinc/10/55/26/344105526.db2.gz WWJIRNGICCGLTM-UHFFFAOYSA-N 0 0 178.166 1.050 10 0 ADAERN O=C(c1ncc[nH]1)c1ccncc1F 157399779 344105654 /nfs/dbraw/zinc/10/56/54/344105654.db2.gz JELPKNRDRFCVEP-UHFFFAOYSA-N 0 0 191.165 1.175 10 0 ADAERN CO[C@@H](C)C(=O)c1ccncc1F 157397954 344105697 /nfs/dbraw/zinc/10/56/97/344105697.db2.gz MVFWGFTWYSMTOR-LURJTMIESA-N 0 0 183.182 1.438 10 0 ADAERN O=c1cc(-c2cccc(Cl)c2)[nH][nH]1 157399837 344105889 /nfs/dbraw/zinc/10/58/89/344105889.db2.gz PRONIHPTQMJYCI-UHFFFAOYSA-N 0 0 194.621 1.564 10 0 ADAERN O=C(c1ccncc1F)C(F)F 157403718 344105928 /nfs/dbraw/zinc/10/59/28/344105928.db2.gz YZEZIVWGTBJPAV-UHFFFAOYSA-N 0 0 175.109 1.669 10 0 ADAERN C[C@H](Nc1ccn(C)n1)[C@@H]1CCOC1 157406102 344106113 /nfs/dbraw/zinc/10/61/13/344106113.db2.gz VLCFFDDUUJMUOD-DTWKUNHWSA-N 0 0 195.266 1.257 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)[C@H]1CCOC1 157406542 344106118 /nfs/dbraw/zinc/10/61/18/344106118.db2.gz VLCFFDDUUJMUOD-BDAKNGLRSA-N 0 0 195.266 1.257 10 0 ADAERN O[C@H](c1ccncc1F)C(F)(F)F 157408170 344106141 /nfs/dbraw/zinc/10/61/41/344106141.db2.gz VXZRONIMYYUSPT-ZCFIWIBFSA-N 0 0 195.115 1.816 10 0 ADAERN CSC[C@H](O)c1ccncc1F 157407696 344106163 /nfs/dbraw/zinc/10/61/63/344106163.db2.gz RQDXISNIZHWZBJ-QMMMGPOBSA-N 0 0 187.239 1.617 10 0 ADAERN C[C@H](Nc1ccn(C)n1)[C@H]1CCOC1 157406392 344106238 /nfs/dbraw/zinc/10/62/38/344106238.db2.gz VLCFFDDUUJMUOD-IUCAKERBSA-N 0 0 195.266 1.257 10 0 ADAERN O[C@@H](c1ccncc1F)C(F)(F)F 157408013 344106288 /nfs/dbraw/zinc/10/62/88/344106288.db2.gz VXZRONIMYYUSPT-LURJTMIESA-N 0 0 195.115 1.816 10 0 ADAERN CSC[C@@H](O)c1ccncc1F 157407856 344106294 /nfs/dbraw/zinc/10/62/94/344106294.db2.gz RQDXISNIZHWZBJ-MRVPVSSYSA-N 0 0 187.239 1.617 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)[C@@H]1CCOC1 157406252 344106360 /nfs/dbraw/zinc/10/63/60/344106360.db2.gz VLCFFDDUUJMUOD-RKDXNWHRSA-N 0 0 195.266 1.257 10 0 ADAERN CO[C@H](C)[C@H](O)c1ccncc1F 157418626 344106631 /nfs/dbraw/zinc/10/66/31/344106631.db2.gz LXJPFUNYIXMCLF-MUWHJKNJSA-N 0 0 185.198 1.289 10 0 ADAERN CO[C@@H](C)[C@H](O)c1ccncc1F 157418497 344106654 /nfs/dbraw/zinc/10/66/54/344106654.db2.gz LXJPFUNYIXMCLF-RCOVLWMOSA-N 0 0 185.198 1.289 10 0 ADAERN CCC[C@H]1CCN(C(C)=O)C1 157419286 344106655 /nfs/dbraw/zinc/10/66/55/344106655.db2.gz FUBQKZBBVAIHPM-VIFPVBQESA-N 0 0 155.241 1.655 10 0 ADAERN CC1(c2cc(=O)o[nH]2)CC1 157424854 344106830 /nfs/dbraw/zinc/10/68/30/344106830.db2.gz PTSCZUUDZMTNHH-UHFFFAOYSA-N 0 0 139.154 1.432 10 0 ADAERN CCC[C@@H]1CCN(C(C)=O)C1 157419140 344106789 /nfs/dbraw/zinc/10/67/89/344106789.db2.gz FUBQKZBBVAIHPM-SECBINFHSA-N 0 0 155.241 1.655 10 0 ADAERN CC1(c2cc(=O)[nH][nH]2)CC1 157432163 344106913 /nfs/dbraw/zinc/10/69/13/344106913.db2.gz GAYHBKMNDTYNLY-UHFFFAOYSA-N 0 0 138.170 1.167 10 0 ADAERN CO[C@@H](C)[C@@H](O)c1ccncc1F 157418763 344106920 /nfs/dbraw/zinc/10/69/20/344106920.db2.gz LXJPFUNYIXMCLF-IMTBSYHQSA-N 0 0 185.198 1.289 10 0 ADAERN CO[C@H](C)[C@@H](O)c1ccncc1F 157418906 344107036 /nfs/dbraw/zinc/10/70/36/344107036.db2.gz LXJPFUNYIXMCLF-HZGVNTEJSA-N 0 0 185.198 1.289 10 0 ADAERN CCC[C@@H]1CCN(C(N)=O)C1 157435047 344107447 /nfs/dbraw/zinc/10/74/47/344107447.db2.gz NAVNTPIKTBUONW-SSDOTTSWSA-N 0 0 156.229 1.187 10 0 ADAERN O=c1cc(-c2cccc(F)c2)[nH][nH]1 157434932 344107586 /nfs/dbraw/zinc/10/75/86/344107586.db2.gz QMJSWOMGDPTVTM-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN CCC[C@H]1CCN(C(N)=O)C1 157435205 344107696 /nfs/dbraw/zinc/10/76/96/344107696.db2.gz NAVNTPIKTBUONW-ZETCQYMHSA-N 0 0 156.229 1.187 10 0 ADAERN Nc1cnc(-c2ccncc2F)cn1 157494488 344107888 /nfs/dbraw/zinc/10/78/88/344107888.db2.gz GGOCACDEKWAQQJ-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Clc1nc(C[C@@H]2CCOC2)no1 157506045 344107843 /nfs/dbraw/zinc/10/78/43/344107843.db2.gz RIEKLWXUPYEFSK-YFKPBYRVSA-N 0 0 188.614 1.302 10 0 ADAERN Clc1nc(C[C@H]2CCOC2)no1 157506192 344107868 /nfs/dbraw/zinc/10/78/68/344107868.db2.gz RIEKLWXUPYEFSK-RXMQYKEDSA-N 0 0 188.614 1.302 10 0 ADAERN Nc1ncc(-c2ccncc2F)s1 157495151 344108002 /nfs/dbraw/zinc/10/80/02/344108002.db2.gz HCXUZUDCQWYYRJ-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Nc1ncccc1-c1ccncc1F 157494673 344108074 /nfs/dbraw/zinc/10/80/74/344108074.db2.gz RQQNZEDXYSJQTO-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1csc(C[C@H]2CCOC2)n1 157517751 344108366 /nfs/dbraw/zinc/10/83/66/344108366.db2.gz WVMSGKYROOCQEY-ZCFIWIBFSA-N 0 0 184.264 1.304 10 0 ADAERN CNC(=O)Nc1cc(C(C)C)[nH]n1 157518170 344108534 /nfs/dbraw/zinc/10/85/34/344108534.db2.gz BRHCIBVFIUJBHZ-UHFFFAOYSA-N 0 0 182.227 1.284 10 0 ADAERN CC(=O)CCc1ccncc1F 157530392 344108539 /nfs/dbraw/zinc/10/85/39/344108539.db2.gz KGVVQFVKGKVDAP-UHFFFAOYSA-N 0 0 167.183 1.742 10 0 ADAERN CC(C)c1cc(NC(N)=O)n[nH]1 157517857 344108584 /nfs/dbraw/zinc/10/85/84/344108584.db2.gz ABXABQCBKPNGKG-UHFFFAOYSA-N 0 0 168.200 1.024 10 0 ADAERN CC(C)c1cc(NC(=O)N(C)C)n[nH]1 157515408 344108638 /nfs/dbraw/zinc/10/86/38/344108638.db2.gz GLBBROAUYWBZQO-UHFFFAOYSA-N 0 0 196.254 1.627 10 0 ADAERN Clc1n[nH]c(C[C@@H]2CCOC2)n1 157516960 344108646 /nfs/dbraw/zinc/10/86/46/344108646.db2.gz YGGCUFITGXGTJD-YFKPBYRVSA-N 0 0 187.630 1.037 10 0 ADAERN Clc1n[nH]c(C[C@H]2CCOC2)n1 157517106 344108649 /nfs/dbraw/zinc/10/86/49/344108649.db2.gz YGGCUFITGXGTJD-RXMQYKEDSA-N 0 0 187.630 1.037 10 0 ADAERN CCNC(=O)Nc1cc(C(C)C)[nH]n1 157517395 344108671 /nfs/dbraw/zinc/10/86/71/344108671.db2.gz QQXFTWIQEDQTBT-UHFFFAOYSA-N 0 0 196.254 1.675 10 0 ADAERN Nc1csc(C[C@@H]2CCOC2)n1 157517588 344108681 /nfs/dbraw/zinc/10/86/81/344108681.db2.gz WVMSGKYROOCQEY-LURJTMIESA-N 0 0 184.264 1.304 10 0 ADAERN COc1cccc2oc([C@H](C)N)nc12 157538264 344108832 /nfs/dbraw/zinc/10/88/32/344108832.db2.gz BNWYPVMJTHECLW-LURJTMIESA-N 0 0 192.218 1.856 10 0 ADAERN COc1cccc2oc([C@@H](C)N)nc12 157538408 344108964 /nfs/dbraw/zinc/10/89/64/344108964.db2.gz BNWYPVMJTHECLW-ZCFIWIBFSA-N 0 0 192.218 1.856 10 0 ADAERN COc1cccc2c1NCCCO2 157549031 344109094 /nfs/dbraw/zinc/10/90/94/344109094.db2.gz PYRGULDPEUFRMT-UHFFFAOYSA-N 0 0 179.219 1.890 10 0 ADAERN COc1cc(C)nc(N[C@@H]2C[C@H]2C)n1 157570398 344109349 /nfs/dbraw/zinc/10/93/49/344109349.db2.gz KPGOZEZIXBLAML-HTRCEHHLSA-N 0 0 193.250 1.614 10 0 ADAERN COc1ccnc(N[C@@H]2C[C@@H]2C)n1 157553438 344109361 /nfs/dbraw/zinc/10/93/61/344109361.db2.gz PVVNKBTZEHUYDQ-NKWVEPMBSA-N 0 0 179.223 1.306 10 0 ADAERN O[C@H]1CC[C@@H](c2ccncc2F)C1 157553907 344109372 /nfs/dbraw/zinc/10/93/72/344109372.db2.gz AHYCMJNGZWPZFO-SFYZADRCSA-N 0 0 181.210 1.849 10 0 ADAERN OCCCc1ccncc1F 157553462 344109412 /nfs/dbraw/zinc/10/94/12/344109412.db2.gz POJLMZUXLDTYPG-UHFFFAOYSA-N 0 0 155.172 1.146 10 0 ADAERN COc1ccnc(N[C@@H]2C[C@H]2C)n1 157553291 344109494 /nfs/dbraw/zinc/10/94/94/344109494.db2.gz PVVNKBTZEHUYDQ-RNFRBKRXSA-N 0 0 179.223 1.306 10 0 ADAERN COc1ccnc(N[C@H]2C[C@H]2C)n1 157552972 344109524 /nfs/dbraw/zinc/10/95/24/344109524.db2.gz PVVNKBTZEHUYDQ-RQJHMYQMSA-N 0 0 179.223 1.306 10 0 ADAERN COc1cc(C)nc(N[C@H]2C[C@H]2C)n1 157570535 344109606 /nfs/dbraw/zinc/10/96/06/344109606.db2.gz KPGOZEZIXBLAML-SVRRBLITSA-N 0 0 193.250 1.614 10 0 ADAERN COc1cc(C)nc(N[C@H]2C[C@@H]2C)n1 157570253 344109619 /nfs/dbraw/zinc/10/96/19/344109619.db2.gz KPGOZEZIXBLAML-XPUUQOCRSA-N 0 0 193.250 1.614 10 0 ADAERN O[C@H]1CC[C@H](c2ccncc2F)C1 157554058 344109633 /nfs/dbraw/zinc/10/96/33/344109633.db2.gz AHYCMJNGZWPZFO-YUMQZZPRSA-N 0 0 181.210 1.849 10 0 ADAERN O[C@@H]1CC[C@H](c2ccncc2F)C1 157554358 344109640 /nfs/dbraw/zinc/10/96/40/344109640.db2.gz AHYCMJNGZWPZFO-JGVFFNPUSA-N 0 0 181.210 1.849 10 0 ADAERN COc1cc(C)nc(N[C@@H]2C[C@@H]2C)n1 157570102 344109670 /nfs/dbraw/zinc/10/96/70/344109670.db2.gz KPGOZEZIXBLAML-POYBYMJQSA-N 0 0 193.250 1.614 10 0 ADAERN COc1ccnc(N[C@H]2C[C@@H]2C)n1 157553138 344109743 /nfs/dbraw/zinc/10/97/43/344109743.db2.gz PVVNKBTZEHUYDQ-BQBZGAKWSA-N 0 0 179.223 1.306 10 0 ADAERN O[C@@H]1CC[C@@H](c2ccncc2F)C1 157554198 344109784 /nfs/dbraw/zinc/10/97/84/344109784.db2.gz AHYCMJNGZWPZFO-HTQZYQBOSA-N 0 0 181.210 1.849 10 0 ADAERN CNc1nnc(-c2ccco2)n1C 157601425 344109915 /nfs/dbraw/zinc/10/99/15/344109915.db2.gz CACQFUXJIRMDHJ-UHFFFAOYSA-N 0 0 178.195 1.117 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1ccc(N)cn1 157583633 344109922 /nfs/dbraw/zinc/10/99/22/344109922.db2.gz FHJIXGCAEYTRCM-BDAKNGLRSA-N 0 0 191.278 1.899 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1cccnc1N 157604725 344109931 /nfs/dbraw/zinc/10/99/31/344109931.db2.gz VHCAZHSZMRJUPQ-BDAKNGLRSA-N 0 0 191.278 1.899 10 0 ADAERN C[C@H]1C[C@H](C)N(c2ncncc2N)C1 157592219 344109983 /nfs/dbraw/zinc/10/99/83/344109983.db2.gz SFRDBZXKAXYPHZ-YUMQZZPRSA-N 0 0 192.266 1.294 10 0 ADAERN COc1cc2c(cc1F)NC(=O)C2 157588517 344109989 /nfs/dbraw/zinc/10/99/89/344109989.db2.gz TVYPYKDOXLSBAH-UHFFFAOYSA-N 0 0 181.166 1.329 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2ncncc2N)C1 157592507 344110003 /nfs/dbraw/zinc/11/00/03/344110003.db2.gz SFRDBZXKAXYPHZ-JGVFFNPUSA-N 0 0 192.266 1.294 10 0 ADAERN Nc1nnc(CC2CCSCC2)o1 157587877 344110019 /nfs/dbraw/zinc/11/00/19/344110019.db2.gz JTXFQXLTRWMVJW-UHFFFAOYSA-N 0 0 199.279 1.338 10 0 ADAERN C[C@H]1C[C@H](C)N(c2ccc(N)cn2)C1 157583789 344110056 /nfs/dbraw/zinc/11/00/56/344110056.db2.gz FHJIXGCAEYTRCM-IUCAKERBSA-N 0 0 191.278 1.899 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2ccc(N)cn2)C1 157583934 344110063 /nfs/dbraw/zinc/11/00/63/344110063.db2.gz FHJIXGCAEYTRCM-RKDXNWHRSA-N 0 0 191.278 1.899 10 0 ADAERN Nc1n[nH]c(CC2CCSCC2)n1 157587448 344110073 /nfs/dbraw/zinc/11/00/73/344110073.db2.gz SWVSSAUHLNEFML-UHFFFAOYSA-N 0 0 198.295 1.073 10 0 ADAERN COc1ccccc1-n1[nH]ccc1=O 157588356 344110080 /nfs/dbraw/zinc/11/00/80/344110080.db2.gz YOCBWBIKOBPMMC-UHFFFAOYSA-N 0 0 190.202 1.418 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1ncncc1N 157592068 344110097 /nfs/dbraw/zinc/11/00/97/344110097.db2.gz SFRDBZXKAXYPHZ-SFYZADRCSA-N 0 0 192.266 1.294 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2ncncc2N)C1 157592358 344110152 /nfs/dbraw/zinc/11/01/52/344110152.db2.gz SFRDBZXKAXYPHZ-HTQZYQBOSA-N 0 0 192.266 1.294 10 0 ADAERN Cc1cc(N)cc(-n2cncn2)c1 157604727 344110162 /nfs/dbraw/zinc/11/01/62/344110162.db2.gz ROMAHQHZCOPNNF-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2ccc(N)cn2)C1 157584066 344110172 /nfs/dbraw/zinc/11/01/72/344110172.db2.gz FHJIXGCAEYTRCM-DTWKUNHWSA-N 0 0 191.278 1.899 10 0 ADAERN Nc1nsnc1-c1ccncc1F 157578969 344110263 /nfs/dbraw/zinc/11/02/63/344110263.db2.gz JNQGDFLJUXHMQJ-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN C[C@H]1C[C@H](C)N(c2cccnc2N)C1 157604877 344110267 /nfs/dbraw/zinc/11/02/67/344110267.db2.gz VHCAZHSZMRJUPQ-IUCAKERBSA-N 0 0 191.278 1.899 10 0 ADAERN Cc1cc(C(N)=S)cc(N(C)C)n1 157613828 344110747 /nfs/dbraw/zinc/11/07/47/344110747.db2.gz JYHPWCXZDHKLHO-UHFFFAOYSA-N 0 0 195.291 1.090 10 0 ADAERN COc1cc(C(N)=S)cc(C)n1 157626815 344110885 /nfs/dbraw/zinc/11/08/85/344110885.db2.gz HSMDNRKMBDCRBG-UHFFFAOYSA-N 0 0 182.248 1.033 10 0 ADAERN CNc1cc(C(N)=S)cc(C)n1 157611262 344110893 /nfs/dbraw/zinc/11/08/93/344110893.db2.gz CGDRARNHGXRNBQ-UHFFFAOYSA-N 0 0 181.264 1.066 10 0 ADAERN CCNc1cc(C(N)=S)cc(C)n1 157611566 344110897 /nfs/dbraw/zinc/11/08/97/344110897.db2.gz XMHOKVGOBMTXTQ-UHFFFAOYSA-N 0 0 195.291 1.456 10 0 ADAERN CCc1c[nH]nc1NC(=O)[C@@H](C)CC 157661638 344111089 /nfs/dbraw/zinc/11/10/89/344111089.db2.gz LDROPICJXRCHQY-ZETCQYMHSA-N 0 0 195.266 1.957 10 0 ADAERN CCc1c[nH]nc1NC(=O)[C@H](C)CC 157661782 344111322 /nfs/dbraw/zinc/11/13/22/344111322.db2.gz LDROPICJXRCHQY-SSDOTTSWSA-N 0 0 195.266 1.957 10 0 ADAERN COc1ccc(-n2[nH]ccc2=O)cc1 157650631 344111453 /nfs/dbraw/zinc/11/14/53/344111453.db2.gz PVBRBSKRSXZTKO-UHFFFAOYSA-N 0 0 190.202 1.587 10 0 ADAERN CC(C)(C)[C@H]1CCC[C@H](C(=O)[O-])[NH2+]1 157692757 344111534 /nfs/dbraw/zinc/11/15/34/344111534.db2.gz YRSDYYJSKVQEES-HTQZYQBOSA-N 0 0 185.267 1.628 10 0 ADAERN CCN(CC)C(=O)c1ncccc1N 157677740 344111551 /nfs/dbraw/zinc/11/15/51/344111551.db2.gz ICGWOYFRJFZJNE-UHFFFAOYSA-N 0 0 193.250 1.146 10 0 ADAERN CC[C@H](C)NC(=O)c1ncccc1N 157678992 344111588 /nfs/dbraw/zinc/11/15/88/344111588.db2.gz IPEACQZCEFKEEP-ZETCQYMHSA-N 0 0 193.250 1.192 10 0 ADAERN Cc1cc(N)cc(N2CCOCC2)c1 157696078 344111710 /nfs/dbraw/zinc/11/17/10/344111710.db2.gz OSMFHNLMWMUCGZ-UHFFFAOYSA-N 0 0 192.262 1.414 10 0 ADAERN Cc1cccc(C=O)c1OCCO 157697950 344111714 /nfs/dbraw/zinc/11/17/14/344111714.db2.gz MZVYQTCWKXMEIK-UHFFFAOYSA-N 0 0 180.203 1.179 10 0 ADAERN CCCN(C)C(=O)c1ncccc1N 157687780 344111753 /nfs/dbraw/zinc/11/17/53/344111753.db2.gz HHVMNDDLQHCCJP-UHFFFAOYSA-N 0 0 193.250 1.146 10 0 ADAERN CCC[C@H]1CCC[C@H](C(=O)[O-])[NH2+]1 157693066 344111773 /nfs/dbraw/zinc/11/17/73/344111773.db2.gz AMQAOJBHYCDXNQ-JGVFFNPUSA-N 0 0 171.240 1.382 10 0 ADAERN CCc1c[nH]nc1NC(=O)C=C(C)C 157666304 344111796 /nfs/dbraw/zinc/11/17/96/344111796.db2.gz CLKDPEQESMBBJC-UHFFFAOYSA-N 0 0 193.250 1.877 10 0 ADAERN CCCCNC(=O)c1ncccc1N 157682105 344111874 /nfs/dbraw/zinc/11/18/74/344111874.db2.gz JXSCQEOPSYTCMA-UHFFFAOYSA-N 0 0 193.250 1.194 10 0 ADAERN CC(C)N(C)C(=O)c1ncccc1N 157682883 344111936 /nfs/dbraw/zinc/11/19/36/344111936.db2.gz FBBOMVJXUQBPJH-UHFFFAOYSA-N 0 0 193.250 1.144 10 0 ADAERN CC[C@@H](C)NC(=O)c1ncccc1N 157678823 344111941 /nfs/dbraw/zinc/11/19/41/344111941.db2.gz IPEACQZCEFKEEP-SSDOTTSWSA-N 0 0 193.250 1.192 10 0 ADAERN CC(C)(C)NC(=O)c1ncccc1N 157677897 344111959 /nfs/dbraw/zinc/11/19/59/344111959.db2.gz WDWODNBPWFUWLR-UHFFFAOYSA-N 0 0 193.250 1.192 10 0 ADAERN CC(C)(C)[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1 157692620 344111998 /nfs/dbraw/zinc/11/19/98/344111998.db2.gz YRSDYYJSKVQEES-SFYZADRCSA-N 0 0 185.267 1.628 10 0 ADAERN CCC[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1 157692916 344112013 /nfs/dbraw/zinc/11/20/13/344112013.db2.gz AMQAOJBHYCDXNQ-HTQZYQBOSA-N 0 0 171.240 1.382 10 0 ADAERN COc1cnccc1[C@@]1(O)C[C@H]1C 157728719 344112103 /nfs/dbraw/zinc/11/21/03/344112103.db2.gz RIYBUPWSRUIQEP-GMSGAONNSA-N 0 0 179.219 1.318 10 0 ADAERN COc1cnccc1[C@]1(O)C[C@H]1C 157729016 344112127 /nfs/dbraw/zinc/11/21/27/344112127.db2.gz RIYBUPWSRUIQEP-XCBNKYQSSA-N 0 0 179.219 1.318 10 0 ADAERN FC(F)(F)Cc1nnc(Cl)o1 157736032 344112159 /nfs/dbraw/zinc/11/21/59/344112159.db2.gz UTWBJJBMEISXFC-UHFFFAOYSA-N 0 0 186.520 1.828 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]1c1ccc(F)cn1 157716611 344112172 /nfs/dbraw/zinc/11/21/72/344112172.db2.gz LQFMUMMPKKGORL-XPUUQOCRSA-N 0 0 179.194 1.913 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1ccncc1OC 157729277 344112228 /nfs/dbraw/zinc/11/22/28/344112228.db2.gz DUAUPVUNMYEJCF-LDYMZIIASA-N 0 0 193.246 1.708 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1ccncc1OC 157729513 344112330 /nfs/dbraw/zinc/11/23/30/344112330.db2.gz DUAUPVUNMYEJCF-KCJUWKMLSA-N 0 0 193.246 1.708 10 0 ADAERN COc1cnccc1[C@]1(O)C[C@@H]1C 157729131 344112376 /nfs/dbraw/zinc/11/23/76/344112376.db2.gz RIYBUPWSRUIQEP-XVKPBYJWSA-N 0 0 179.219 1.318 10 0 ADAERN COc1cnccc1C1(O)CC1 157728571 344112427 /nfs/dbraw/zinc/11/24/27/344112427.db2.gz IDTCCELHNXARMM-UHFFFAOYSA-N 0 0 165.192 1.072 10 0 ADAERN O=C1CC(c2ccc(F)cn2)C1 157716039 344112478 /nfs/dbraw/zinc/11/24/78/344112478.db2.gz YRDCEFVBOQWIJH-UHFFFAOYSA-N 0 0 165.167 1.667 10 0 ADAERN Cc1noc(-c2ncccc2N)n1 157738651 344112482 /nfs/dbraw/zinc/11/24/82/344112482.db2.gz TYRSMJANOIHMKM-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN C[C@H]1C(=O)C[C@@H]1c1ccc(F)cn1 157716461 344112499 /nfs/dbraw/zinc/11/24/99/344112499.db2.gz LQFMUMMPKKGORL-SVRRBLITSA-N 0 0 179.194 1.913 10 0 ADAERN C[C@H]1C(=O)C[C@H]1c1ccc(F)cn1 157716171 344112511 /nfs/dbraw/zinc/11/25/11/344112511.db2.gz LQFMUMMPKKGORL-HTRCEHHLSA-N 0 0 179.194 1.913 10 0 ADAERN C[C@@H]1C(=O)C[C@H]1c1ccc(F)cn1 157716312 344112519 /nfs/dbraw/zinc/11/25/19/344112519.db2.gz LQFMUMMPKKGORL-POYBYMJQSA-N 0 0 179.194 1.913 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1ccncc1OC 157729590 344112581 /nfs/dbraw/zinc/11/25/81/344112581.db2.gz DUAUPVUNMYEJCF-KWQFWETISA-N 0 0 193.246 1.708 10 0 ADAERN CCc1noc(-c2ncccc2N)n1 157738513 344112592 /nfs/dbraw/zinc/11/25/92/344112592.db2.gz XPQOBCKVOARKPO-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN CC[C@H]1C[C@]1(O)c1ccncc1OC 157729411 344112595 /nfs/dbraw/zinc/11/25/95/344112595.db2.gz DUAUPVUNMYEJCF-GZMMTYOYSA-N 0 0 193.246 1.708 10 0 ADAERN Clc1nnc(-c2cnns2)o1 157741125 344112627 /nfs/dbraw/zinc/11/26/27/344112627.db2.gz VYLKCVYSHUAIQR-UHFFFAOYSA-N 0 0 188.599 1.242 10 0 ADAERN COc1cnccc1[C@@]1(O)C[C@@H]1C 157728883 344112630 /nfs/dbraw/zinc/11/26/30/344112630.db2.gz RIYBUPWSRUIQEP-OIBJUYFYSA-N 0 0 179.219 1.318 10 0 ADAERN C[C@@H]1CC[C@@H](c2nnc(Cl)o2)O1 157750597 344112766 /nfs/dbraw/zinc/11/27/66/344112766.db2.gz BCDYVAFRGMADCX-UHNVWZDZSA-N 0 0 188.614 1.963 10 0 ADAERN Nc1cccnc1C(=O)OC1CCC1 157743384 344112778 /nfs/dbraw/zinc/11/27/78/344112778.db2.gz USZUCAMHGSRZHW-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN Clc1nnc(C[C@@H]2CCCO2)o1 157756119 344112783 /nfs/dbraw/zinc/11/27/83/344112783.db2.gz TWCDFVCKJLLRAM-YFKPBYRVSA-N 0 0 188.614 1.445 10 0 ADAERN C[C@H]1CCO[C@H]1c1nnc(Cl)o1 157749985 344112823 /nfs/dbraw/zinc/11/28/23/344112823.db2.gz MMMAGSSCAVKHIF-CRCLSJGQSA-N 0 0 188.614 1.821 10 0 ADAERN Cc1cc(-c2nnc(Cl)o2)on1 157754875 344112829 /nfs/dbraw/zinc/11/28/29/344112829.db2.gz MYTOTHGIIQUQCT-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN C[C@H]1CC[C@H](c2nnc(Cl)o2)O1 157750420 344112848 /nfs/dbraw/zinc/11/28/48/344112848.db2.gz BCDYVAFRGMADCX-CRCLSJGQSA-N 0 0 188.614 1.963 10 0 ADAERN Nc1noc(CC2CCSCC2)n1 157746729 344112856 /nfs/dbraw/zinc/11/28/56/344112856.db2.gz SKJTZDHQUHLGRY-UHFFFAOYSA-N 0 0 199.279 1.338 10 0 ADAERN CCc1nc(-c2ncccc2N)n[nH]1 157748891 344112864 /nfs/dbraw/zinc/11/28/64/344112864.db2.gz URNQKPURCWQZEJ-UHFFFAOYSA-N 0 0 189.222 1.011 10 0 ADAERN C[C@H]1CC[C@@H](c2nnc(Cl)o2)O1 157750738 344112903 /nfs/dbraw/zinc/11/29/03/344112903.db2.gz BCDYVAFRGMADCX-WHFBIAKZSA-N 0 0 188.614 1.963 10 0 ADAERN Clc1nnc(C2CCC2)o1 157753433 344112965 /nfs/dbraw/zinc/11/29/65/344112965.db2.gz NKDVHTTVOXOAQP-UHFFFAOYSA-N 0 0 158.588 1.991 10 0 ADAERN Fc1ccc(-c2nnc(Cl)o2)nc1 157743986 344112973 /nfs/dbraw/zinc/11/29/73/344112973.db2.gz MIHMZFHJTQTBGL-UHFFFAOYSA-N 0 0 199.572 1.924 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nnc(Cl)o1 157749529 344112975 /nfs/dbraw/zinc/11/29/75/344112975.db2.gz MMMAGSSCAVKHIF-UHNVWZDZSA-N 0 0 188.614 1.821 10 0 ADAERN C[C@H]1CCO[C@@H]1c1nnc(Cl)o1 157749688 344112981 /nfs/dbraw/zinc/11/29/81/344112981.db2.gz MMMAGSSCAVKHIF-WHFBIAKZSA-N 0 0 188.614 1.821 10 0 ADAERN Cc1oncc1-c1nnc(Cl)o1 157753130 344113022 /nfs/dbraw/zinc/11/30/22/344113022.db2.gz KHYYYXQVIHGLOG-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN Clc1nnc(C[C@H]2CCCO2)o1 157755973 344113040 /nfs/dbraw/zinc/11/30/40/344113040.db2.gz TWCDFVCKJLLRAM-RXMQYKEDSA-N 0 0 188.614 1.445 10 0 ADAERN CCc1nc2c(c(=O)[nH]1)CSC2 157746019 344113057 /nfs/dbraw/zinc/11/30/57/344113057.db2.gz RSYURQXJCZSMDZ-UHFFFAOYSA-N 0 0 182.248 1.079 10 0 ADAERN CSCc1nnc(Cl)o1 157747859 344113066 /nfs/dbraw/zinc/11/30/66/344113066.db2.gz HWMHHVNNDUIQOE-UHFFFAOYSA-N 0 0 164.617 1.586 10 0 ADAERN C[C@@H]1CC[C@H](c2nnc(Cl)o2)O1 157750286 344113095 /nfs/dbraw/zinc/11/30/95/344113095.db2.gz BCDYVAFRGMADCX-RFZPGFLSSA-N 0 0 188.614 1.963 10 0 ADAERN Clc1nnc(-c2ccon2)o1 157746345 344113130 /nfs/dbraw/zinc/11/31/30/344113130.db2.gz OYAHOQIRNUVAOF-UHFFFAOYSA-N 0 0 171.543 1.378 10 0 ADAERN COCCn1cc2c(c1)[C@H](O)CCC2 157751284 344113139 /nfs/dbraw/zinc/11/31/39/344113139.db2.gz YXEMCAKBVCUQJD-LLVKDONJSA-N 0 0 195.262 1.504 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nnc(Cl)o1 157749838 344113154 /nfs/dbraw/zinc/11/31/54/344113154.db2.gz MMMAGSSCAVKHIF-RFZPGFLSSA-N 0 0 188.614 1.821 10 0 ADAERN Cc1[nH]ncc1-c1nnc(Cl)o1 157748645 344113172 /nfs/dbraw/zinc/11/31/72/344113172.db2.gz BNLZHMCAVXQHGM-UHFFFAOYSA-N 0 0 184.586 1.422 10 0 ADAERN COCCn1cc2c(c1)[C@@H](O)CCC2 157751446 344113185 /nfs/dbraw/zinc/11/31/85/344113185.db2.gz YXEMCAKBVCUQJD-NSHDSACASA-N 0 0 195.262 1.504 10 0 ADAERN Clc1nnc(CC2CC2)o1 157760615 344113480 /nfs/dbraw/zinc/11/34/80/344113480.db2.gz DCIFBRLJLUVJMH-UHFFFAOYSA-N 0 0 158.588 1.676 10 0 ADAERN C[C@@]1(c2nnc(Cl)o2)CCCO1 157771998 344113488 /nfs/dbraw/zinc/11/34/88/344113488.db2.gz KTCMDPSYTBKVKL-ZETCQYMHSA-N 0 0 188.614 1.749 10 0 ADAERN Cc1cc(N)cnc1NC(=O)C1CC1 157761225 344113500 /nfs/dbraw/zinc/11/35/00/344113500.db2.gz ZCWRERWKWHSMTN-UHFFFAOYSA-N 0 0 191.234 1.321 10 0 ADAERN Cc1nc(C)c(-c2nnc(Cl)o2)o1 157773118 344113574 /nfs/dbraw/zinc/11/35/74/344113574.db2.gz DEHIXBQXIYUQDH-UHFFFAOYSA-N 0 0 199.597 1.995 10 0 ADAERN Clc1nnc([C@@H]2CCCOC2)o1 157762137 344113627 /nfs/dbraw/zinc/11/36/27/344113627.db2.gz RCLDDDVEZCKABK-RXMQYKEDSA-N 0 0 188.614 1.617 10 0 ADAERN Clc1nnc([C@H]2CCCO2)o1 157766616 344113745 /nfs/dbraw/zinc/11/37/45/344113745.db2.gz NALSWKQNRNMRLJ-SCSAIBSYSA-N 0 0 174.587 1.575 10 0 ADAERN C[C@]1(c2nnc(Cl)o2)CCCO1 157771861 344113689 /nfs/dbraw/zinc/11/36/89/344113689.db2.gz KTCMDPSYTBKVKL-SSDOTTSWSA-N 0 0 188.614 1.749 10 0 ADAERN C[C@H]1OCC[C@@H]1c1nnc(Cl)o1 157771406 344113800 /nfs/dbraw/zinc/11/38/00/344113800.db2.gz ZWQKEZHMIBOEPQ-UHNVWZDZSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1nnc(Cl)o1 157771545 344113703 /nfs/dbraw/zinc/11/37/03/344113703.db2.gz ZWQKEZHMIBOEPQ-WHFBIAKZSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@H]1OCC[C@H]1c1nnc(Cl)o1 157771100 344113730 /nfs/dbraw/zinc/11/37/30/344113730.db2.gz ZWQKEZHMIBOEPQ-RFZPGFLSSA-N 0 0 188.614 1.615 10 0 ADAERN CCCc1nnc(Cl)o1 157760148 344113742 /nfs/dbraw/zinc/11/37/42/344113742.db2.gz PPQPRTYNVNXCLF-UHFFFAOYSA-N 0 0 146.577 1.676 10 0 ADAERN Clc1nnc(-c2ccnnc2)o1 157757717 344113819 /nfs/dbraw/zinc/11/38/19/344113819.db2.gz SEQDPCKVURVVFN-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN Clc1nnc([C@H]2CCCOC2)o1 157762005 344113851 /nfs/dbraw/zinc/11/38/51/344113851.db2.gz RCLDDDVEZCKABK-YFKPBYRVSA-N 0 0 188.614 1.617 10 0 ADAERN CCC(=O)Nc1ncc(N)cc1C 157761686 344113873 /nfs/dbraw/zinc/11/38/73/344113873.db2.gz TVTOKTLQUBJBTF-UHFFFAOYSA-N 0 0 179.223 1.321 10 0 ADAERN Cc1ncoc1-c1nnc(Cl)o1 157764590 344113933 /nfs/dbraw/zinc/11/39/33/344113933.db2.gz HNCDYGAQKNFTCX-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN C[C@@H]1OCC[C@H]1c1nnc(Cl)o1 157771258 344113905 /nfs/dbraw/zinc/11/39/05/344113905.db2.gz ZWQKEZHMIBOEPQ-CRCLSJGQSA-N 0 0 188.614 1.615 10 0 ADAERN Clc1nnc([C@@H]2CCSC2)o1 157762780 344113916 /nfs/dbraw/zinc/11/39/16/344113916.db2.gz RBBXLKUVCASUDC-SCSAIBSYSA-N 0 0 190.655 1.944 10 0 ADAERN Clc1nnc(-c2ccoc2)o1 157767227 344113921 /nfs/dbraw/zinc/11/39/21/344113921.db2.gz ODPOZLAVAWYYDE-UHFFFAOYSA-N 0 0 170.555 1.983 10 0 ADAERN Clc1nnc([C@@H]2CCCO2)o1 157766766 344113923 /nfs/dbraw/zinc/11/39/23/344113923.db2.gz NALSWKQNRNMRLJ-BYPYZUCNSA-N 0 0 174.587 1.575 10 0 ADAERN Cn1nccc1-c1nnc(Cl)o1 157780286 344114077 /nfs/dbraw/zinc/11/40/77/344114077.db2.gz NJYBJNJBPNCYEZ-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Clc1nnc(-c2cn[nH]c2)o1 157787979 344114105 /nfs/dbraw/zinc/11/41/05/344114105.db2.gz YMFGSPRRFGZURB-UHFFFAOYSA-N 0 0 170.559 1.113 10 0 ADAERN Clc1nnc(C2CCOCC2)o1 157787459 344114111 /nfs/dbraw/zinc/11/41/11/344114111.db2.gz BZCANLKHIIZZDU-UHFFFAOYSA-N 0 0 188.614 1.617 10 0 ADAERN Clc1nnc([C@@H]2CCCCO2)o1 157786693 344114136 /nfs/dbraw/zinc/11/41/36/344114136.db2.gz XTYDMJWFMYBNRD-YFKPBYRVSA-N 0 0 188.614 1.965 10 0 ADAERN C[C@@H]([NH3+])c1nc2c(F)c(F)ccc2[nH]1 157785156 344114140 /nfs/dbraw/zinc/11/41/40/344114140.db2.gz PDDFDNVNBKESCI-SCSAIBSYSA-N 0 0 197.188 1.861 10 0 ADAERN c1cncc(O[C@@H]2CCOC2)c1 157798285 344114145 /nfs/dbraw/zinc/11/41/45/344114145.db2.gz PNJGCSQXSFIINW-SECBINFHSA-N 0 0 165.192 1.249 10 0 ADAERN Clc1nnc([C@H]2CCCCO2)o1 157786827 344114149 /nfs/dbraw/zinc/11/41/49/344114149.db2.gz XTYDMJWFMYBNRD-RXMQYKEDSA-N 0 0 188.614 1.965 10 0 ADAERN Clc1nnc(-c2cc[nH]n2)o1 157780444 344114153 /nfs/dbraw/zinc/11/41/53/344114153.db2.gz IIXXFIFXOAPZSG-UHFFFAOYSA-N 0 0 170.559 1.113 10 0 ADAERN Cc1ccc(N)c(N2CC=CC2)c1 157793790 344114198 /nfs/dbraw/zinc/11/41/98/344114198.db2.gz COZXQAIGJIBKBJ-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN Clc1nnc(-c2csnn2)o1 157788317 344114234 /nfs/dbraw/zinc/11/42/34/344114234.db2.gz WQQHGTQUONFMTR-UHFFFAOYSA-N 0 0 188.599 1.242 10 0 ADAERN Cc1c(-c2nnc(Cl)o2)cnn1C 157778165 344114246 /nfs/dbraw/zinc/11/42/46/344114246.db2.gz FJRKYHHJZJZIQB-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN Fc1cnccc1-c1nnc(Cl)o1 157798362 344114258 /nfs/dbraw/zinc/11/42/58/344114258.db2.gz QAGDPMGHGJNPNL-UHFFFAOYSA-N 0 0 199.572 1.924 10 0 ADAERN CNC(=O)Nc1cc(C)ccc1N 157792171 344114266 /nfs/dbraw/zinc/11/42/66/344114266.db2.gz KZLNFIYKTHBFIT-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN C[C@@H]1C[C@H]1c1nnc(Cl)o1 157783846 344114293 /nfs/dbraw/zinc/11/42/93/344114293.db2.gz PUEVGRAFBSKGNU-QWWZWVQMSA-N 0 0 158.588 1.846 10 0 ADAERN CC(C)OCc1nnc(Cl)o1 157792139 344114298 /nfs/dbraw/zinc/11/42/98/344114298.db2.gz ATMOWEDBTKNKGI-UHFFFAOYSA-N 0 0 176.603 1.648 10 0 ADAERN Cn1cc(-c2nnc(Cl)o2)cn1 157795807 344114301 /nfs/dbraw/zinc/11/43/01/344114301.db2.gz BLKQDBFCQQOTFE-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN COCc1nc2c(F)c(F)ccc2[nH]1 157786272 344114309 /nfs/dbraw/zinc/11/43/09/344114309.db2.gz VKSRGFSJCFPTMP-UHFFFAOYSA-N 0 0 198.172 1.988 10 0 ADAERN CCOCc1nnc(Cl)o1 157777980 344114319 /nfs/dbraw/zinc/11/43/19/344114319.db2.gz HVDGREYHXALUNK-UHFFFAOYSA-N 0 0 162.576 1.260 10 0 ADAERN Cc1cc(-c2nnc(Cl)o2)no1 157789831 344114351 /nfs/dbraw/zinc/11/43/51/344114351.db2.gz BOONHWMAJGFQLO-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnc(Cl)o1 157783576 344114360 /nfs/dbraw/zinc/11/43/60/344114360.db2.gz PUEVGRAFBSKGNU-DMTCNVIQSA-N 0 0 158.588 1.846 10 0 ADAERN C[C@H]1C[C@H]1c1nnc(Cl)o1 157783998 344114367 /nfs/dbraw/zinc/11/43/67/344114367.db2.gz PUEVGRAFBSKGNU-IUYQGCFVSA-N 0 0 158.588 1.846 10 0 ADAERN Clc1nnc(-c2cscn2)o1 157780600 344114383 /nfs/dbraw/zinc/11/43/83/344114383.db2.gz VGQWQJMKFZYITJ-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN CCNC(=O)Nc1cc(C)ccc1N 157792496 344114391 /nfs/dbraw/zinc/11/43/91/344114391.db2.gz MGHZZBPAXLUCKU-UHFFFAOYSA-N 0 0 193.250 1.719 10 0 ADAERN Cc1ccc(N)c(N2CCCC2=O)c1 157792819 344114393 /nfs/dbraw/zinc/11/43/93/344114393.db2.gz NVEMCGVKFOIICN-UHFFFAOYSA-N 0 0 190.246 1.704 10 0 ADAERN CSCCc1nnc(Cl)o1 157788615 344114400 /nfs/dbraw/zinc/11/44/00/344114400.db2.gz CLTSJAFBQVPCLA-UHFFFAOYSA-N 0 0 178.644 1.629 10 0 ADAERN COC(=O)Nc1cc(C)ccc1N 157792340 344114409 /nfs/dbraw/zinc/11/44/09/344114409.db2.gz AURHWQJFKDZATG-UHFFFAOYSA-N 0 0 180.207 1.756 10 0 ADAERN [NH3+]CCn1ccc2sccc2c1=O 157788798 344114411 /nfs/dbraw/zinc/11/44/11/344114411.db2.gz QLNMJFWNZGYGAQ-UHFFFAOYSA-N 0 0 194.259 1.022 10 0 ADAERN Clc1nnc([C@H]2CCOC2)o1 157778929 344114435 /nfs/dbraw/zinc/11/44/35/344114435.db2.gz WJXJJXBQJVYPKM-BYPYZUCNSA-N 0 0 174.587 1.227 10 0 ADAERN Cc1ccc(N)c(NC(=O)N(C)C)c1 157792027 344114443 /nfs/dbraw/zinc/11/44/43/344114443.db2.gz HLPZBUPNGOWDOR-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN Clc1nnc([C@@H]2CCOC2)o1 157778794 344114464 /nfs/dbraw/zinc/11/44/64/344114464.db2.gz WJXJJXBQJVYPKM-SCSAIBSYSA-N 0 0 174.587 1.227 10 0 ADAERN Cc1ccncc1-c1ncc[nH]c1=O 157804699 344114753 /nfs/dbraw/zinc/11/47/53/344114753.db2.gz MJIUXAFYLJCGLV-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN O=c1[nH]ccnc1-c1cccc(F)c1 157801810 344114769 /nfs/dbraw/zinc/11/47/69/344114769.db2.gz SBEYAQFKQQGKMN-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN Clc1nccnc1-c1ccncn1 157805333 344114867 /nfs/dbraw/zinc/11/48/67/344114867.db2.gz PEHQKJKSJIEURI-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN Cn1cncc1-c1nccnc1Cl 157806683 344114961 /nfs/dbraw/zinc/11/49/61/344114961.db2.gz HBXYRKFRFNJAOA-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CNc1nccnc1[C@H]1CCCOC1 157811696 344115032 /nfs/dbraw/zinc/11/50/32/344115032.db2.gz FUUZCJIVQOMAAP-QMMMGPOBSA-N 0 0 193.250 1.412 10 0 ADAERN CNc1nccnc1C1CCOCC1 157812775 344115115 /nfs/dbraw/zinc/11/51/15/344115115.db2.gz YPJDFHZLWXWGPL-UHFFFAOYSA-N 0 0 193.250 1.412 10 0 ADAERN Cc1ccc(-c2nccnc2N)nc1 157809703 344115121 /nfs/dbraw/zinc/11/51/21/344115121.db2.gz AIWUJSNUIPGLEP-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN O=c1[nH]ccnc1-c1ccccc1F 157803369 344115129 /nfs/dbraw/zinc/11/51/29/344115129.db2.gz HPNAMCDFMOXNFA-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN CC(=O)CC(=O)N1C[C@H](C)C[C@H]1C 157834791 344115629 /nfs/dbraw/zinc/11/56/29/344115629.db2.gz CIOOPNQAFYCEHI-HTQZYQBOSA-N 0 0 183.251 1.222 10 0 ADAERN CCNc1cnccc1CO 157862011 344115282 /nfs/dbraw/zinc/11/52/82/344115282.db2.gz MLNGTTYKBZJMPD-UHFFFAOYSA-N 0 0 152.197 1.006 10 0 ADAERN CC(=O)CC(=O)N1C[C@H](C)C[C@@H]1C 157834565 344115337 /nfs/dbraw/zinc/11/53/37/344115337.db2.gz CIOOPNQAFYCEHI-SFYZADRCSA-N 0 0 183.251 1.222 10 0 ADAERN CCCNc1cnccc1CO 157862191 344115376 /nfs/dbraw/zinc/11/53/76/344115376.db2.gz FSRYFZFTESOVSG-UHFFFAOYSA-N 0 0 166.224 1.396 10 0 ADAERN CCC[C@@H](C)c1nccnc1NN 157816249 344115397 /nfs/dbraw/zinc/11/53/97/344115397.db2.gz RVSSXBCMHYLNFJ-SSDOTTSWSA-N 0 0 180.255 1.666 10 0 ADAERN CCC(CC)c1nccnc1NN 157815942 344115425 /nfs/dbraw/zinc/11/54/25/344115425.db2.gz ZMHFOVMAKITVFL-UHFFFAOYSA-N 0 0 180.255 1.666 10 0 ADAERN CCCc1nnc(Br)o1 157826794 344115430 /nfs/dbraw/zinc/11/54/30/344115430.db2.gz OPFZXVISZJAJNV-UHFFFAOYSA-N 0 0 191.028 1.785 10 0 ADAERN Cc1cnn(-c2cnccc2CO)c1 157870656 344115437 /nfs/dbraw/zinc/11/54/37/344115437.db2.gz CPNBSHZPIKOXHN-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CC(C)(C)Cc1nccnc1NN 157815777 344115468 /nfs/dbraw/zinc/11/54/68/344115468.db2.gz UAATZJVTZVZDTH-UHFFFAOYSA-N 0 0 180.255 1.351 10 0 ADAERN CC(C)(C)Nc1cnccc1CO 157862494 344115499 /nfs/dbraw/zinc/11/54/99/344115499.db2.gz MMHCDQTWMWGKTE-UHFFFAOYSA-N 0 0 180.251 1.784 10 0 ADAERN CC(=O)CC(=O)N1C[C@@H](C)C[C@H]1C 157834960 344115514 /nfs/dbraw/zinc/11/55/14/344115514.db2.gz CIOOPNQAFYCEHI-JGVFFNPUSA-N 0 0 183.251 1.222 10 0 ADAERN CC1C[NH+]([C@@H](C)[C@@H](C)C(=O)[O-])C1 157854142 344115576 /nfs/dbraw/zinc/11/55/76/344115576.db2.gz YCTZWCBTIAPIOS-SFYZADRCSA-N 0 0 171.240 1.047 10 0 ADAERN OCc1ccncc1NC1CC1 157862327 344115609 /nfs/dbraw/zinc/11/56/09/344115609.db2.gz LZQZTWQKGAHPRX-UHFFFAOYSA-N 0 0 164.208 1.148 10 0 ADAERN CN(c1cnccc1CO)C1CCC1 157865822 344115626 /nfs/dbraw/zinc/11/56/26/344115626.db2.gz OICBDXSECNILIQ-UHFFFAOYSA-N 0 0 192.262 1.563 10 0 ADAERN OCc1ccncc1N1CCCC1 157826099 344115672 /nfs/dbraw/zinc/11/56/72/344115672.db2.gz FPRULHJZKXZBMQ-UHFFFAOYSA-N 0 0 178.235 1.174 10 0 ADAERN CC1C[NH+]([C@@H](C)[C@H](C)C(=O)[O-])C1 157854452 344115675 /nfs/dbraw/zinc/11/56/75/344115675.db2.gz YCTZWCBTIAPIOS-YUMQZZPRSA-N 0 0 171.240 1.047 10 0 ADAERN CC1C[NH+]([C@H](C)[C@H](C)C(=O)[O-])C1 157854607 344115696 /nfs/dbraw/zinc/11/56/96/344115696.db2.gz YCTZWCBTIAPIOS-JGVFFNPUSA-N 0 0 171.240 1.047 10 0 ADAERN NNc1nccnc1C1CCCCC1 157815636 344115705 /nfs/dbraw/zinc/11/57/05/344115705.db2.gz MEISTCWPNWNNJE-UHFFFAOYSA-N 0 0 192.266 1.810 10 0 ADAERN NNc1nccnc1C1CCCC1 157816512 344115720 /nfs/dbraw/zinc/11/57/20/344115720.db2.gz SWFAVIFQZLIFBY-UHFFFAOYSA-N 0 0 178.239 1.420 10 0 ADAERN CC(=O)CC(=O)N1C[C@@H](C)C[C@@H]1C 157834676 344115736 /nfs/dbraw/zinc/11/57/36/344115736.db2.gz CIOOPNQAFYCEHI-YUMQZZPRSA-N 0 0 183.251 1.222 10 0 ADAERN CCC[C@H](C)c1nccnc1NN 157816384 344115752 /nfs/dbraw/zinc/11/57/52/344115752.db2.gz RVSSXBCMHYLNFJ-ZETCQYMHSA-N 0 0 180.255 1.666 10 0 ADAERN O=C1NCCOc2cc(Cl)ccc21 157876809 344115965 /nfs/dbraw/zinc/11/59/65/344115965.db2.gz XKMXKWBWWGAWIZ-UHFFFAOYSA-N 0 0 197.621 1.462 10 0 ADAERN CC(C)Oc1cnccc1CO 157879031 344116063 /nfs/dbraw/zinc/11/60/63/344116063.db2.gz ZRVTYROTZGLJST-UHFFFAOYSA-N 0 0 167.208 1.361 10 0 ADAERN CCCNc1ccc(C(N)=O)c(C)c1 157892494 344116195 /nfs/dbraw/zinc/11/61/95/344116195.db2.gz GSWZHTSJHFWREI-UHFFFAOYSA-N 0 0 192.262 1.916 10 0 ADAERN Cc1ccc([C@@H](NN)C2CC2)o1 157878935 344116205 /nfs/dbraw/zinc/11/62/05/344116205.db2.gz HYGBFQAACKSSSL-VIFPVBQESA-N 0 0 166.224 1.502 10 0 ADAERN Cc1ccc([C@H](NN)C2CC2)o1 157878777 344116234 /nfs/dbraw/zinc/11/62/34/344116234.db2.gz HYGBFQAACKSSSL-SECBINFHSA-N 0 0 166.224 1.502 10 0 ADAERN CCCNc1cnccc1C(N)=O 157956047 344116520 /nfs/dbraw/zinc/11/65/20/344116520.db2.gz LJLQBLBMUICSNP-UHFFFAOYSA-N 0 0 179.223 1.002 10 0 ADAERN CCNc1cnccc1C(=O)N(C)C 157946097 344116537 /nfs/dbraw/zinc/11/65/37/344116537.db2.gz UBIZBBXXSRZKIF-UHFFFAOYSA-N 0 0 193.250 1.215 10 0 ADAERN CCCNC(=O)c1ccncc1NC 157946719 344116625 /nfs/dbraw/zinc/11/66/25/344116625.db2.gz GQPYLTGKZSRHMM-UHFFFAOYSA-N 0 0 193.250 1.263 10 0 ADAERN CNc1cnccc1C(=O)NC1CC1 157950474 344116637 /nfs/dbraw/zinc/11/66/37/344116637.db2.gz YURPVKISSFTXPH-UHFFFAOYSA-N 0 0 191.234 1.016 10 0 ADAERN CNc1cnccc1C(=O)NC(C)C 157949054 344116702 /nfs/dbraw/zinc/11/67/02/344116702.db2.gz YAJQVVCUJPSILX-UHFFFAOYSA-N 0 0 193.250 1.262 10 0 ADAERN CCCc1nc(N)c2c(n1)CSC2 157983571 344117257 /nfs/dbraw/zinc/11/72/57/344117257.db2.gz VNJZXDLOKZCITA-UHFFFAOYSA-N 0 0 195.291 1.758 10 0 ADAERN COc1ccc([C@H](F)C[NH3+])c(C)c1 158083240 344118019 /nfs/dbraw/zinc/11/80/19/344118019.db2.gz UXWFMOFRTCCSNA-SNVBAGLBSA-N 0 0 183.226 1.973 10 0 ADAERN Fc1cccc(CC2(F)CNC2)c1 158120209 344119117 /nfs/dbraw/zinc/11/91/17/344119117.db2.gz GICPHSOMJZZVQQ-UHFFFAOYSA-N 0 0 183.201 1.680 10 0 ADAERN FC1([C@H]2Cc3ccccc3N2)CNC1 158122702 344119150 /nfs/dbraw/zinc/11/91/50/344119150.db2.gz XJYOQHYKCSGCJH-SNVBAGLBSA-N 0 0 192.237 1.335 10 0 ADAERN Fc1ccc(C2(F)CNC2)c(F)c1 158114045 344119191 /nfs/dbraw/zinc/11/91/91/344119191.db2.gz HTPGLFRRYXDFTI-UHFFFAOYSA-N 0 0 187.164 1.733 10 0 ADAERN Fc1cccc(C2(F)CNC2)c1F 158122537 344119234 /nfs/dbraw/zinc/11/92/34/344119234.db2.gz CXDFBLUOYVCMPQ-UHFFFAOYSA-N 0 0 187.164 1.733 10 0 ADAERN Fc1ccc(F)c(C2(F)CNC2)c1 158126377 344119251 /nfs/dbraw/zinc/11/92/51/344119251.db2.gz RYWGFZVYZRSQJD-UHFFFAOYSA-N 0 0 187.164 1.733 10 0 ADAERN Cc1ccc(F)cc1C1(F)CNC1 158113596 344119260 /nfs/dbraw/zinc/11/92/60/344119260.db2.gz PQOPLOWTQSTAPO-UHFFFAOYSA-N 0 0 183.201 1.902 10 0 ADAERN Fc1cccc(F)c1C1(F)CNC1 158128373 344119270 /nfs/dbraw/zinc/11/92/70/344119270.db2.gz VLRJSRDVQDQJNF-UHFFFAOYSA-N 0 0 187.164 1.733 10 0 ADAERN COc1cccc(C2(F)CNC2)c1F 158117986 344119277 /nfs/dbraw/zinc/11/92/77/344119277.db2.gz NSLTZIHHXITWMC-UHFFFAOYSA-N 0 0 199.200 1.602 10 0 ADAERN COc1ccc(C)cc1C1(F)CNC1 158128858 344119314 /nfs/dbraw/zinc/11/93/14/344119314.db2.gz AOLQURLJEMYGAC-UHFFFAOYSA-N 0 0 195.237 1.772 10 0 ADAERN Cc1cc(F)ccc1C1(F)CNC1 158129007 344119344 /nfs/dbraw/zinc/11/93/44/344119344.db2.gz VMEJWLCVSKRUJL-UHFFFAOYSA-N 0 0 183.201 1.902 10 0 ADAERN CCOc1ccc(C2(F)CNC2)cc1 158123158 344119350 /nfs/dbraw/zinc/11/93/50/344119350.db2.gz RNHSJDWCYMJLKI-UHFFFAOYSA-N 0 0 195.237 1.853 10 0 ADAERN COc1ccc(C2(F)CNC2)cc1 158125220 344119382 /nfs/dbraw/zinc/11/93/82/344119382.db2.gz HUVRHXMCAUQJGJ-UHFFFAOYSA-N 0 0 181.210 1.463 10 0 ADAERN O[C@@H](c1cncs1)C(F)F 158115646 344119391 /nfs/dbraw/zinc/11/93/91/344119391.db2.gz ZPZPWVQRSYUWKU-BYPYZUCNSA-N 0 0 165.164 1.442 10 0 ADAERN FC1([C@@H]2Cc3ccccc3N2)CNC1 158122855 344119437 /nfs/dbraw/zinc/11/94/37/344119437.db2.gz XJYOQHYKCSGCJH-JTQLQIEISA-N 0 0 192.237 1.335 10 0 ADAERN Fc1cc(F)cc(C2(F)CNC2)c1 158114313 344119487 /nfs/dbraw/zinc/11/94/87/344119487.db2.gz WCXNNOGEANSQNY-UHFFFAOYSA-N 0 0 187.164 1.733 10 0 ADAERN CC(C)n1ccc(CC2(F)CNC2)n1 158120795 344119494 /nfs/dbraw/zinc/11/94/94/344119494.db2.gz BVMZUEAAKBJSOP-UHFFFAOYSA-N 0 0 197.257 1.318 10 0 ADAERN Fc1ccccc1CC1(F)CNC1 158128537 344119533 /nfs/dbraw/zinc/11/95/33/344119533.db2.gz BHDOIIBIVKJRAD-UHFFFAOYSA-N 0 0 183.201 1.680 10 0 ADAERN FC1(c2ccc3[nH]ccc3c2)CNC1 158113447 344119537 /nfs/dbraw/zinc/11/95/37/344119537.db2.gz NFUJUWAZOSOUOF-UHFFFAOYSA-N 0 0 190.221 1.936 10 0 ADAERN O[C@H](c1cncs1)C(F)F 158115807 344119543 /nfs/dbraw/zinc/11/95/43/344119543.db2.gz ZPZPWVQRSYUWKU-SCSAIBSYSA-N 0 0 165.164 1.442 10 0 ADAERN CCCn1nccc1C1(F)CNC1 158120516 344119552 /nfs/dbraw/zinc/11/95/52/344119552.db2.gz UWPXNYBJISBNIW-UHFFFAOYSA-N 0 0 183.230 1.061 10 0 ADAERN CCOc1ccccc1C1(F)CNC1 158124566 344119558 /nfs/dbraw/zinc/11/95/58/344119558.db2.gz UBCGRJXFKPDSAP-UHFFFAOYSA-N 0 0 195.237 1.853 10 0 ADAERN COc1ccc(C2(F)CNC2)cc1F 158123944 344119580 /nfs/dbraw/zinc/11/95/80/344119580.db2.gz PTAGICBESZKYQO-UHFFFAOYSA-N 0 0 199.200 1.602 10 0 ADAERN Cc1ccc(F)c(C2(F)CNC2)c1 158124104 344119592 /nfs/dbraw/zinc/11/95/92/344119592.db2.gz UXKYINNOMKKKTF-UHFFFAOYSA-N 0 0 183.201 1.902 10 0 ADAERN FC1([C@H]2NCc3ccccc32)CNC1 158131678 344119818 /nfs/dbraw/zinc/11/98/18/344119818.db2.gz XUXAGIQEFVXRPY-JTQLQIEISA-N 0 0 192.237 1.142 10 0 ADAERN COc1cccc(C2(F)CNC2)c1 158130960 344119881 /nfs/dbraw/zinc/11/98/81/344119881.db2.gz HRNBXZIDJKCPGL-UHFFFAOYSA-N 0 0 181.210 1.463 10 0 ADAERN CCCn1cc(C2(F)CNC2)cn1 158134542 344119890 /nfs/dbraw/zinc/11/98/90/344119890.db2.gz ZGFWRGYVYGRWEA-UHFFFAOYSA-N 0 0 183.230 1.061 10 0 ADAERN CCc1cc(NC(=O)C=C(C)C)n[nH]1 158134891 344119902 /nfs/dbraw/zinc/11/99/02/344119902.db2.gz CWUFVFIOCZZDDK-UHFFFAOYSA-N 0 0 193.250 1.877 10 0 ADAERN FC1([C@@H]2CCc3cccnc32)CNC1 158132685 344119927 /nfs/dbraw/zinc/11/99/27/344119927.db2.gz SKYILPWJOACWGM-SECBINFHSA-N 0 0 192.237 1.423 10 0 ADAERN COc1ccccc1C1(F)CNC1 158134095 344119951 /nfs/dbraw/zinc/11/99/51/344119951.db2.gz XUBUXKPWKSNTCE-UHFFFAOYSA-N 0 0 181.210 1.463 10 0 ADAERN COc1ccc(C2(F)CNC2)c(C)c1 158135318 344119955 /nfs/dbraw/zinc/11/99/55/344119955.db2.gz HJDBNVKWOITXBL-UHFFFAOYSA-N 0 0 195.237 1.772 10 0 ADAERN FC1(c2cccc3[nH]ccc23)CNC1 158132137 344119959 /nfs/dbraw/zinc/11/99/59/344119959.db2.gz UXQGNVGOOGJORC-UHFFFAOYSA-N 0 0 190.221 1.936 10 0 ADAERN Cc1cc(F)cc(C2(F)CNC2)c1 158133764 344120038 /nfs/dbraw/zinc/12/00/38/344120038.db2.gz YGQNCDYNWHGYMJ-UHFFFAOYSA-N 0 0 183.201 1.902 10 0 ADAERN FC1([C@@H]2NCc3ccccc32)CNC1 158131839 344120058 /nfs/dbraw/zinc/12/00/58/344120058.db2.gz XUXAGIQEFVXRPY-SNVBAGLBSA-N 0 0 192.237 1.142 10 0 ADAERN Cc1cc(C2(F)CNC2)ccc1F 158134253 344120083 /nfs/dbraw/zinc/12/00/83/344120083.db2.gz ALWIGVWQOZEOFZ-UHFFFAOYSA-N 0 0 183.201 1.902 10 0 ADAERN FC1([C@H]2CCc3cccnc32)CNC1 158132818 344120087 /nfs/dbraw/zinc/12/00/87/344120087.db2.gz SKYILPWJOACWGM-VIFPVBQESA-N 0 0 192.237 1.423 10 0 ADAERN Fc1ccc(C2(F)CNC2)cc1F 158134390 344120149 /nfs/dbraw/zinc/12/01/49/344120149.db2.gz XQCVWTIFDQBQHS-UHFFFAOYSA-N 0 0 187.164 1.733 10 0 ADAERN Cc1csc([C@@H]2CCOC2)n1 158159004 344120602 /nfs/dbraw/zinc/12/06/02/344120602.db2.gz VMCOUOABGIADQO-SSDOTTSWSA-N 0 0 169.249 1.955 10 0 ADAERN O=C(CN1CCOCC1)C1CCCC1 158165118 344120716 /nfs/dbraw/zinc/12/07/16/344120716.db2.gz XXINMJZHVJETDG-UHFFFAOYSA-N 0 0 197.278 1.078 10 0 ADAERN CC(C)C[C@H](O)c1cnsn1 158200287 344121323 /nfs/dbraw/zinc/12/13/23/344121323.db2.gz QIGVOEWYXSAJHF-ZETCQYMHSA-N 0 0 172.253 1.618 10 0 ADAERN CCC(=O)c1cc(C)nnc1C 158252942 344122215 /nfs/dbraw/zinc/12/22/15/344122215.db2.gz UFRHGNRSIPBOJO-UHFFFAOYSA-N 0 0 164.208 1.686 10 0 ADAERN Cc1cc(C(=O)C(C)C)c(C)nn1 158242460 344122596 /nfs/dbraw/zinc/12/25/96/344122596.db2.gz TVGNAZIDKSEPPV-UHFFFAOYSA-N 0 0 178.235 1.932 10 0 ADAERN COC(=N)C1(OC)CCC1 158285822 344122976 /nfs/dbraw/zinc/12/29/76/344122976.db2.gz OPINYLPXYMEXPH-UHFFFAOYSA-N 0 0 143.186 1.179 10 0 ADAERN CC[C@H](OC)c1noc(Cl)n1 158280432 344123005 /nfs/dbraw/zinc/12/30/05/344123005.db2.gz YLNUBQINIYDEQQ-BYPYZUCNSA-N 0 0 176.603 1.821 10 0 ADAERN CCCC(=O)c1ccnnc1 158276383 344123340 /nfs/dbraw/zinc/12/33/40/344123340.db2.gz RANWNZSSORGECB-UHFFFAOYSA-N 0 0 150.181 1.459 10 0 ADAERN CC[C@@H](OC)c1noc(Cl)n1 158280567 344123148 /nfs/dbraw/zinc/12/31/48/344123148.db2.gz YLNUBQINIYDEQQ-SCSAIBSYSA-N 0 0 176.603 1.821 10 0 ADAERN CCCC(=O)c1snnc1C 158275543 344123182 /nfs/dbraw/zinc/12/31/82/344123182.db2.gz CNTMUJMZFYTFBF-UHFFFAOYSA-N 0 0 170.237 1.829 10 0 ADAERN O=C(c1ccnnc1)C1CCCC1 158284485 344123290 /nfs/dbraw/zinc/12/32/90/344123290.db2.gz PJOBBCXWQZCTAH-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN O=C(c1csnn1)C1CCCC1 158289071 344123305 /nfs/dbraw/zinc/12/33/05/344123305.db2.gz RDDVZMCXDSQHSY-UHFFFAOYSA-N 0 0 182.248 1.911 10 0 ADAERN COC1(c2noc(Cl)n2)CCC1 158281905 344123338 /nfs/dbraw/zinc/12/33/38/344123338.db2.gz MXPHQDCIIXFXHE-UHFFFAOYSA-N 0 0 188.614 1.749 10 0 ADAERN O=C(CN1CCOC1=O)C1CCCC1 158295933 344123685 /nfs/dbraw/zinc/12/36/85/344123685.db2.gz GXZFVHCAXOBJLG-UHFFFAOYSA-N 0 0 197.234 1.198 10 0 ADAERN CC[C@H]([NH3+])C(=O)N1CC[C@@H](C(C)C)C1 158317112 344123992 /nfs/dbraw/zinc/12/39/92/344123992.db2.gz JKMBETZSQMOIGB-ZJUUUORDSA-N 0 0 198.310 1.228 10 0 ADAERN CC[C@H](C)NC(=O)c1ccnnc1 158333980 344124012 /nfs/dbraw/zinc/12/40/12/344124012.db2.gz IALHRBCFXDKWIY-ZETCQYMHSA-N 0 0 179.223 1.005 10 0 ADAERN CC(C)[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 158314687 344124131 /nfs/dbraw/zinc/12/41/31/344124131.db2.gz LRXRGFORBHTBSJ-SECBINFHSA-N 0 0 198.310 1.228 10 0 ADAERN O=C(NC1CCCC1)c1ccnnc1 158335596 344124159 /nfs/dbraw/zinc/12/41/59/344124159.db2.gz QSVTVJSNDXEEPN-UHFFFAOYSA-N 0 0 191.234 1.149 10 0 ADAERN CC[C@](F)(C[NH3+])c1c(C)ccnc1N 158334546 344124227 /nfs/dbraw/zinc/12/42/27/344124227.db2.gz PUMOEXOLPSRUHM-JTQLQIEISA-N 0 0 197.257 1.506 10 0 ADAERN CC(C)[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 158314840 344124358 /nfs/dbraw/zinc/12/43/58/344124358.db2.gz LRXRGFORBHTBSJ-VIFPVBQESA-N 0 0 198.310 1.228 10 0 ADAERN CC[C@H]([NH3+])C(=O)N1CC[C@H](C(C)C)C1 158316798 344124372 /nfs/dbraw/zinc/12/43/72/344124372.db2.gz JKMBETZSQMOIGB-UWVGGRQHSA-N 0 0 198.310 1.228 10 0 ADAERN CC[C@@](F)(C[NH3+])c1c(C)ccnc1N 158334424 344124394 /nfs/dbraw/zinc/12/43/94/344124394.db2.gz PUMOEXOLPSRUHM-SNVBAGLBSA-N 0 0 197.257 1.506 10 0 ADAERN CC[C@H]1CCN(c2ncccc2N)C1 158360176 344124660 /nfs/dbraw/zinc/12/46/60/344124660.db2.gz NDKNNIPWDUHESO-VIFPVBQESA-N 0 0 191.278 1.900 10 0 ADAERN CC(C)CC(=O)c1cnns1 158363777 344125031 /nfs/dbraw/zinc/12/50/31/344125031.db2.gz PTONZHOOLMXNDZ-UHFFFAOYSA-N 0 0 170.237 1.767 10 0 ADAERN CC[C@@H]1CCN(c2ncccc2N)C1 158360026 344125173 /nfs/dbraw/zinc/12/51/73/344125173.db2.gz NDKNNIPWDUHESO-SECBINFHSA-N 0 0 191.278 1.900 10 0 ADAERN CC(C)CC(=O)c1csnn1 158386279 344125429 /nfs/dbraw/zinc/12/54/29/344125429.db2.gz HYONHHKXXBQZMF-UHFFFAOYSA-N 0 0 170.237 1.767 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2nc(N)ns2)C1 158396736 344125681 /nfs/dbraw/zinc/12/56/81/344125681.db2.gz WMLLKYAVUSKWNS-PHDIDXHHSA-N 0 0 198.295 1.355 10 0 ADAERN O=C(c1ccccc1)c1cnsn1 158390833 344125995 /nfs/dbraw/zinc/12/59/95/344125995.db2.gz WCVBTVUTDNKTQL-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN CC(C)CC(=O)c1ccnnc1 158373370 344126005 /nfs/dbraw/zinc/12/60/05/344126005.db2.gz GRSNEDNGMOCQDU-UHFFFAOYSA-N 0 0 164.208 1.705 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1nc(N)ns1 158396436 344126025 /nfs/dbraw/zinc/12/60/25/344126025.db2.gz WMLLKYAVUSKWNS-RITPCOANSA-N 0 0 198.295 1.355 10 0 ADAERN C[C@H]1C[C@H](C)N(c2nc(N)ns2)C1 158396584 344126066 /nfs/dbraw/zinc/12/60/66/344126066.db2.gz WMLLKYAVUSKWNS-WDSKDSINSA-N 0 0 198.295 1.355 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2nc(N)ns2)C1 158396889 344126069 /nfs/dbraw/zinc/12/60/69/344126069.db2.gz WMLLKYAVUSKWNS-NTSWFWBYSA-N 0 0 198.295 1.355 10 0 ADAERN COc1ccc([C@H](O)C2CC2)cn1 158433870 344127055 /nfs/dbraw/zinc/12/70/55/344127055.db2.gz ZVTPERAYODFMQG-SNVBAGLBSA-N 0 0 179.219 1.534 10 0 ADAERN COc1ccc([C@@H](O)C2CC2)cn1 158433989 344127067 /nfs/dbraw/zinc/12/70/67/344127067.db2.gz ZVTPERAYODFMQG-JTQLQIEISA-N 0 0 179.219 1.534 10 0 ADAERN O[C@@H](Cn1ccnc1)C1CCCC1 158472309 344127570 /nfs/dbraw/zinc/12/75/70/344127570.db2.gz RZXOPPWDKWDQBQ-JTQLQIEISA-N 0 0 180.251 1.434 10 0 ADAERN CC[C@@H](OC)c1nc(C)cc(NC)n1 158482604 344127592 /nfs/dbraw/zinc/12/75/92/344127592.db2.gz VVOXNUYCZJKTNC-MRVPVSSYSA-N 0 0 195.266 1.924 10 0 ADAERN CC[C@H](OC)c1nc(C)cc(NC)n1 158482461 344127659 /nfs/dbraw/zinc/12/76/59/344127659.db2.gz VVOXNUYCZJKTNC-QMMMGPOBSA-N 0 0 195.266 1.924 10 0 ADAERN Cc1nccn1C[C@@H](O)C1CCCC1 158474544 344127700 /nfs/dbraw/zinc/12/77/00/344127700.db2.gz NXWGMGBFPVDTCC-LLVKDONJSA-N 0 0 194.278 1.743 10 0 ADAERN Cc1nccn1C[C@H](O)C1CCCC1 158474397 344127883 /nfs/dbraw/zinc/12/78/83/344127883.db2.gz NXWGMGBFPVDTCC-NSHDSACASA-N 0 0 194.278 1.743 10 0 ADAERN CNc1ccnc([C@H](OC)C2CC2)n1 158487507 344127912 /nfs/dbraw/zinc/12/79/12/344127912.db2.gz ZDSHDIFRLMHEGC-SECBINFHSA-N 0 0 193.250 1.616 10 0 ADAERN O[C@H](Cn1cccn1)C1CCCCC1 158480681 344127962 /nfs/dbraw/zinc/12/79/62/344127962.db2.gz CTDOJNLEDZIWGQ-LLVKDONJSA-N 0 0 194.278 1.824 10 0 ADAERN CCOC(C)(C)c1nccc(NC)n1 158487358 344127967 /nfs/dbraw/zinc/12/79/67/344127967.db2.gz ZPNKHJJGUJSKJN-UHFFFAOYSA-N 0 0 195.266 1.790 10 0 ADAERN CC[C@@H](OC)c1nc(C)c(F)c(N)n1 158503777 344128183 /nfs/dbraw/zinc/12/81/83/344128183.db2.gz WHMWZLFCPIRQJO-ZCFIWIBFSA-N 0 0 199.229 1.604 10 0 ADAERN CC[C@H](OC)c1nc(C)c(F)c(N)n1 158503648 344128356 /nfs/dbraw/zinc/12/83/56/344128356.db2.gz WHMWZLFCPIRQJO-LURJTMIESA-N 0 0 199.229 1.604 10 0 ADAERN CCc1ccc2c(c1)C(=O)NCCO2 158537905 344128556 /nfs/dbraw/zinc/12/85/56/344128556.db2.gz KPKLDQRBGQUHBY-UHFFFAOYSA-N 0 0 191.230 1.371 10 0 ADAERN Nc1ncccc1NC1CCC1 158575916 344128794 /nfs/dbraw/zinc/12/87/94/344128794.db2.gz WDXYAQPBBRFIRG-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN Cc1nc(C)c(-c2nc(Cl)no2)o1 158587040 344128830 /nfs/dbraw/zinc/12/88/30/344128830.db2.gz VTKXMSASNGINPK-UHFFFAOYSA-N 0 0 199.597 1.995 10 0 ADAERN Nc1ncccc1NC1CC1 158575761 344128930 /nfs/dbraw/zinc/12/89/30/344128930.db2.gz BXNZNGUAVBTHSA-UHFFFAOYSA-N 0 0 149.197 1.238 10 0 ADAERN Cc1cc(-c2nc(Cl)no2)n(C)n1 158584115 344129036 /nfs/dbraw/zinc/12/90/36/344129036.db2.gz HSLGRHKFNWDFPQ-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN Fc1cnc(NN2CCCCC2)nc1 158586254 344129097 /nfs/dbraw/zinc/12/90/97/344129097.db2.gz LVVWFBSLHXDANF-UHFFFAOYSA-N 0 0 196.229 1.429 10 0 ADAERN Fc1cnccc1-c1nc(Cl)no1 158602212 344129791 /nfs/dbraw/zinc/12/97/91/344129791.db2.gz ACGRVSBFQNMRBP-UHFFFAOYSA-N 0 0 199.572 1.924 10 0 ADAERN Cn1ccnc1-c1nccc(Cl)n1 158551587 344129173 /nfs/dbraw/zinc/12/91/73/344129173.db2.gz MELRFUARRUIYEG-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CC(C)(C)Nc1cccnc1N 158575586 344129182 /nfs/dbraw/zinc/12/91/82/344129182.db2.gz YRZSWEXZZWOVIY-UHFFFAOYSA-N 0 0 165.240 1.874 10 0 ADAERN O[C@@H](c1cccnc1)c1csnn1 158608097 344129431 /nfs/dbraw/zinc/12/94/31/344129431.db2.gz PCHWUQMYXTVDBV-QMMMGPOBSA-N 0 0 193.231 1.015 10 0 ADAERN Fc1cnc(N[C@@H]2CCCOC2)nc1 158628100 344129498 /nfs/dbraw/zinc/12/94/98/344129498.db2.gz OOMANQOTILQPQH-MRVPVSSYSA-N 0 0 197.213 1.207 10 0 ADAERN O[C@H](c1cccnc1)c1csnn1 158608218 344129512 /nfs/dbraw/zinc/12/95/12/344129512.db2.gz PCHWUQMYXTVDBV-MRVPVSSYSA-N 0 0 193.231 1.015 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncc(F)cn1 158626223 344129619 /nfs/dbraw/zinc/12/96/19/344129619.db2.gz DIGFVOCQSMDJEW-CAHLUQPWSA-N 0 0 167.187 1.436 10 0 ADAERN CNc1nc([C@H](OC)C(C)C)no1 158615414 344129633 /nfs/dbraw/zinc/12/96/33/344129633.db2.gz PGPIRXWRIKDJIJ-ZCFIWIBFSA-N 0 0 185.227 1.455 10 0 ADAERN Cc1c(-c2nc(Cl)no2)cnn1C 158597231 344129677 /nfs/dbraw/zinc/12/96/77/344129677.db2.gz LOOAMXLAXGKUNK-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN CNc1nc([C@@H](OC)C(C)C)no1 158615275 344129683 /nfs/dbraw/zinc/12/96/83/344129683.db2.gz PGPIRXWRIKDJIJ-LURJTMIESA-N 0 0 185.227 1.455 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncc(F)cn1 158625918 344129716 /nfs/dbraw/zinc/12/97/16/344129716.db2.gz DIGFVOCQSMDJEW-FSPLSTOPSA-N 0 0 167.187 1.436 10 0 ADAERN CNc1nc(C2(OC)CCC2)no1 158616435 344129837 /nfs/dbraw/zinc/12/98/37/344129837.db2.gz YCEKFUGRGRDKCF-UHFFFAOYSA-N 0 0 183.211 1.137 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncc(F)cn1 158626073 344129867 /nfs/dbraw/zinc/12/98/67/344129867.db2.gz DIGFVOCQSMDJEW-IYSWYEEDSA-N 0 0 167.187 1.436 10 0 ADAERN CCNc1nc(C2(OC)CCC2)no1 158619655 344129877 /nfs/dbraw/zinc/12/98/77/344129877.db2.gz YJOPRNRLPHQPQK-UHFFFAOYSA-N 0 0 197.238 1.527 10 0 ADAERN CC1(C)C[C@H]1Nc1ncc(F)cn1 158611897 344129892 /nfs/dbraw/zinc/12/98/92/344129892.db2.gz IVINTMICYXYFDO-SSDOTTSWSA-N 0 0 181.214 1.826 10 0 ADAERN COc1cncc(C(=O)C(F)F)c1 158648962 344130053 /nfs/dbraw/zinc/13/00/53/344130053.db2.gz XZHQCFJZYKHQDF-UHFFFAOYSA-N 0 0 187.145 1.538 10 0 ADAERN COC1(c2nccc(C=O)n2)CCC1 158638312 344130083 /nfs/dbraw/zinc/13/00/83/344130083.db2.gz JDRUBQUUFDBNES-UHFFFAOYSA-N 0 0 192.218 1.315 10 0 ADAERN Nc1cc(CC(=O)C(F)F)ccn1 158644885 344130096 /nfs/dbraw/zinc/13/00/96/344130096.db2.gz ILYFNKNRTQHGLE-UHFFFAOYSA-N 0 0 186.161 1.041 10 0 ADAERN CCC[C@H](O)CNc1cccnn1 158658266 344130121 /nfs/dbraw/zinc/13/01/21/344130121.db2.gz RAZOCEPLBZQVQR-QMMMGPOBSA-N 0 0 181.239 1.050 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H](c2ccoc2)[NH2+]1 158645750 344130151 /nfs/dbraw/zinc/13/01/51/344130151.db2.gz VXCXFTNWXKTVQX-DTWKUNHWSA-N 0 0 195.218 1.547 10 0 ADAERN COC1(c2ncc(C=O)cn2)CCC1 158644369 344130162 /nfs/dbraw/zinc/13/01/62/344130162.db2.gz YRHYTPZIHQMNRJ-UHFFFAOYSA-N 0 0 192.218 1.315 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H](c2ccoc2)[NH2+]1 158646222 344130169 /nfs/dbraw/zinc/13/01/69/344130169.db2.gz VXCXFTNWXKTVQX-BDAKNGLRSA-N 0 0 195.218 1.547 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H](c2ccoc2)[NH2+]1 158646052 344130192 /nfs/dbraw/zinc/13/01/92/344130192.db2.gz VXCXFTNWXKTVQX-IUCAKERBSA-N 0 0 195.218 1.547 10 0 ADAERN Cc1ccnc(N)c1C(=O)C(F)F 158652833 344130199 /nfs/dbraw/zinc/13/01/99/344130199.db2.gz VXKAFXMXQSJORT-UHFFFAOYSA-N 0 0 186.161 1.420 10 0 ADAERN CCNC(=O)c1cccc(N)c1Cl 158643674 344130211 /nfs/dbraw/zinc/13/02/11/344130211.db2.gz PDBDIHXWUWYQOQ-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H](c2ccoc2)[NH2+]1 158645914 344130266 /nfs/dbraw/zinc/13/02/66/344130266.db2.gz VXCXFTNWXKTVQX-RKDXNWHRSA-N 0 0 195.218 1.547 10 0 ADAERN CCC[C@@H](O)CNc1cccnn1 158658405 344130271 /nfs/dbraw/zinc/13/02/71/344130271.db2.gz RAZOCEPLBZQVQR-MRVPVSSYSA-N 0 0 181.239 1.050 10 0 ADAERN Cc1cc(CC(=O)C(F)F)n(C)n1 158645605 344130291 /nfs/dbraw/zinc/13/02/91/344130291.db2.gz VKACWAYTMJMBGS-UHFFFAOYSA-N 0 0 188.177 1.105 10 0 ADAERN O[C@@H](c1cccs1)c1cnns1 158655233 344130301 /nfs/dbraw/zinc/13/03/01/344130301.db2.gz GWWYMNUPVJBBJS-ZETCQYMHSA-N 0 0 198.272 1.681 10 0 ADAERN CN(C)C(=O)c1cccc(N)c1Cl 158651939 344130314 /nfs/dbraw/zinc/13/03/14/344130314.db2.gz HQBAWCJJSUHAKL-UHFFFAOYSA-N 0 0 198.653 1.624 10 0 ADAERN Cc1cnc(N)c(C(=O)C(F)F)c1 158657484 344130355 /nfs/dbraw/zinc/13/03/55/344130355.db2.gz CCZQEECTYRABTO-UHFFFAOYSA-N 0 0 186.161 1.420 10 0 ADAERN CC[C@H](C)[C@H]1CCC[C@H](C(=O)[O-])[NH2+]1 158664401 344130526 /nfs/dbraw/zinc/13/05/26/344130526.db2.gz JGLFAIZZQXTBCA-DJLDLDEBSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@H](C)[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1 158664111 344130609 /nfs/dbraw/zinc/13/06/09/344130609.db2.gz JGLFAIZZQXTBCA-XHNCKOQMSA-N 0 0 185.267 1.628 10 0 ADAERN C[C@@H]([C@H]1CCOC1)N1CN=NC1=S 158698597 344130950 /nfs/dbraw/zinc/13/09/50/344130950.db2.gz JIFOBYURYBGOFP-BQBZGAKWSA-N 0 0 199.279 1.164 10 0 ADAERN C[C@H](Nc1ncns1)[C@@H]1CCOC1 158692139 344130958 /nfs/dbraw/zinc/13/09/58/344130958.db2.gz VKWYHHITXHWTEG-NKWVEPMBSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@@H](Nc1ncns1)[C@H]1CCOC1 158692572 344130976 /nfs/dbraw/zinc/13/09/76/344130976.db2.gz VKWYHHITXHWTEG-RQJHMYQMSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@H]([C@H]1CCOC1)N1CN=NC1=S 158698730 344130978 /nfs/dbraw/zinc/13/09/78/344130978.db2.gz JIFOBYURYBGOFP-RQJHMYQMSA-N 0 0 199.279 1.164 10 0 ADAERN C[C@H]([C@H]1CCOC1)n1cc[nH]c1=S 158695379 344131056 /nfs/dbraw/zinc/13/10/56/344131056.db2.gz FUJFERLICUJRJI-SFYZADRCSA-N 0 0 198.291 1.769 10 0 ADAERN C[C@@H]([C@H]1CCOC1)n1cc[nH]c1=S 158695253 344131094 /nfs/dbraw/zinc/13/10/94/344131094.db2.gz FUJFERLICUJRJI-YUMQZZPRSA-N 0 0 198.291 1.769 10 0 ADAERN CCCNc1c(N)cccc1C(N)=O 158746223 344131556 /nfs/dbraw/zinc/13/15/56/344131556.db2.gz QDRORRLSPYBMAL-UHFFFAOYSA-N 0 0 193.250 1.190 10 0 ADAERN COc1cncc([C@@H](O)C(F)F)c1 158730983 344131583 /nfs/dbraw/zinc/13/15/83/344131583.db2.gz QMLLACBSVUTZJO-SSDOTTSWSA-N 0 0 189.161 1.389 10 0 ADAERN CCNc1c(N)cccc1C(=O)OC 158747081 344131689 /nfs/dbraw/zinc/13/16/89/344131689.db2.gz WZWBTZXYVFFFKU-UHFFFAOYSA-N 0 0 194.234 1.487 10 0 ADAERN Cc1cnc(N)c([C@@H](O)C(F)F)c1 158728644 344131692 /nfs/dbraw/zinc/13/16/92/344131692.db2.gz XFRMLIUWOHIXBF-ZCFIWIBFSA-N 0 0 188.177 1.271 10 0 ADAERN COc1cncc([C@H](O)C(F)F)c1 158730884 344131714 /nfs/dbraw/zinc/13/17/14/344131714.db2.gz QMLLACBSVUTZJO-ZETCQYMHSA-N 0 0 189.161 1.389 10 0 ADAERN Cc1ccnc(N)c1[C@@H](O)C(F)F 158738758 344131718 /nfs/dbraw/zinc/13/17/18/344131718.db2.gz OEEMQINXVQIKDX-ZCFIWIBFSA-N 0 0 188.177 1.271 10 0 ADAERN CC(C)Nc1c(N)cccc1C(N)=O 158746481 344131753 /nfs/dbraw/zinc/13/17/53/344131753.db2.gz UCZMWQKWOUVUMO-UHFFFAOYSA-N 0 0 193.250 1.188 10 0 ADAERN Cc1ccnc(N)c1[C@H](O)C(F)F 158738622 344131768 /nfs/dbraw/zinc/13/17/68/344131768.db2.gz OEEMQINXVQIKDX-LURJTMIESA-N 0 0 188.177 1.271 10 0 ADAERN CCSc1c(N)cccc1C(N)=O 158749191 344131798 /nfs/dbraw/zinc/13/17/98/344131798.db2.gz LBDUANAXJFVPLY-UHFFFAOYSA-N 0 0 196.275 1.480 10 0 ADAERN Cn1nc(-c2cccs2)[nH]c1=S 158747079 344131819 /nfs/dbraw/zinc/13/18/19/344131819.db2.gz APTFCUPNYNAYBR-UHFFFAOYSA-N 0 0 197.288 1.832 10 0 ADAERN Cn1nc(-c2ccccn2)[nH]c1=S 158745059 344131895 /nfs/dbraw/zinc/13/18/95/344131895.db2.gz WTIRRPAPMIJZJS-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cc1cnc(N)c([C@H](O)C(F)F)c1 158728508 344131929 /nfs/dbraw/zinc/13/19/29/344131929.db2.gz XFRMLIUWOHIXBF-LURJTMIESA-N 0 0 188.177 1.271 10 0 ADAERN CC[C@@H](C)n1ncc2c(N)ccnc21 158753440 344132187 /nfs/dbraw/zinc/13/21/87/344132187.db2.gz LTEYUQMRCVQDHT-SSDOTTSWSA-N 0 0 190.250 1.985 10 0 ADAERN O=C1NCCC[C@@H]1Cc1ccoc1 158761078 344132190 /nfs/dbraw/zinc/13/21/90/344132190.db2.gz FNNQLALESCGUAM-SECBINFHSA-N 0 0 179.219 1.348 10 0 ADAERN COC(=O)[C@@H]1CCN1c1ccsc1 158778391 344132202 /nfs/dbraw/zinc/13/22/02/344132202.db2.gz HIHQCUBQJNNTMB-QMMMGPOBSA-N 0 0 197.259 1.500 10 0 ADAERN C[C@@H](CO)N(C)C(=O)[C@H]1CC=CCC1 158767796 344132217 /nfs/dbraw/zinc/13/22/17/344132217.db2.gz QVCHOKJGXWMTGC-UWVGGRQHSA-N 0 0 197.278 1.182 10 0 ADAERN [NH3+][C@@H](c1cnns1)C1CCCC1 158758780 344132241 /nfs/dbraw/zinc/13/22/41/344132241.db2.gz CQMGHBXSASSJJU-MRVPVSSYSA-N 0 0 183.280 1.728 10 0 ADAERN CC[C@@H](C)n1ncc2c(=O)cc[nH]c21 158752534 344132248 /nfs/dbraw/zinc/13/22/48/344132248.db2.gz ZOPPPDSXIXEMLN-SSDOTTSWSA-N 0 0 191.234 1.696 10 0 ADAERN O=C(c1cccnc1)c1cnsn1 158766619 344132250 /nfs/dbraw/zinc/13/22/50/344132250.db2.gz WDYZWSHLPNAUST-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN CC[C@H](C)n1ncc2c(=O)cc[nH]c21 158752678 344132270 /nfs/dbraw/zinc/13/22/70/344132270.db2.gz ZOPPPDSXIXEMLN-ZETCQYMHSA-N 0 0 191.234 1.696 10 0 ADAERN Cc1ccc(C(=O)N(C)[C@@H](C)CO)o1 158771221 344132276 /nfs/dbraw/zinc/13/22/76/344132276.db2.gz DNBBGMXCKKJCBZ-ZETCQYMHSA-N 0 0 197.234 1.041 10 0 ADAERN Cc1ccoc1C(=O)N(C)[C@@H](C)CO 158765212 344132282 /nfs/dbraw/zinc/13/22/82/344132282.db2.gz WYFVLUOXQFBTQJ-QMMMGPOBSA-N 0 0 197.234 1.041 10 0 ADAERN C[C@@H](CO)N(C)C(=O)[C@@H]1CC=CCC1 158768029 344132296 /nfs/dbraw/zinc/13/22/96/344132296.db2.gz QVCHOKJGXWMTGC-VHSXEESVSA-N 0 0 197.278 1.182 10 0 ADAERN CC(C)Cn1ncc2c(N)ccnc21 158753741 344132318 /nfs/dbraw/zinc/13/23/18/344132318.db2.gz WLMCNRMUFYFGRA-UHFFFAOYSA-N 0 0 190.250 1.670 10 0 ADAERN [NH3+][C@H](c1cnns1)C1CCCC1 158758918 344132322 /nfs/dbraw/zinc/13/23/22/344132322.db2.gz CQMGHBXSASSJJU-QMMMGPOBSA-N 0 0 183.280 1.728 10 0 ADAERN CCCCn1ncc2c(=O)cc[nH]c21 158753156 344132341 /nfs/dbraw/zinc/13/23/41/344132341.db2.gz DMHMKNYHZVMVID-UHFFFAOYSA-N 0 0 191.234 1.525 10 0 ADAERN CCCn1ncc2c(=O)cc[nH]c21 158752996 344132346 /nfs/dbraw/zinc/13/23/46/344132346.db2.gz HSZGVGMPXPUXOH-UHFFFAOYSA-N 0 0 177.207 1.135 10 0 ADAERN CC(C)Cn1ncc2c(=O)cc[nH]c21 158752827 344132353 /nfs/dbraw/zinc/13/23/53/344132353.db2.gz SANHKWDPRGCYMP-UHFFFAOYSA-N 0 0 191.234 1.381 10 0 ADAERN CNc1ccnc2c1c(C)nn2C 158754811 344132388 /nfs/dbraw/zinc/13/23/88/344132388.db2.gz KKVHGWHMFGKXAK-UHFFFAOYSA-N 0 0 176.223 1.318 10 0 ADAERN COC1CCC2(CC1)CNC(=O)O2 158757754 344132395 /nfs/dbraw/zinc/13/23/95/344132395.db2.gz ZGRNJWKYVLMYGV-UHFFFAOYSA-N 0 0 185.223 1.054 10 0 ADAERN Cc1ccc(C[C@H]2CCC(=O)N2)cc1 158760388 344132408 /nfs/dbraw/zinc/13/24/08/344132408.db2.gz YTDDWIMFILMJFM-LLVKDONJSA-N 0 0 189.258 1.816 10 0 ADAERN CC1(NC(=O)c2ccccc2N)CC1 158761776 344132413 /nfs/dbraw/zinc/13/24/13/344132413.db2.gz XJTANBMXALBKDR-UHFFFAOYSA-N 0 0 190.246 1.551 10 0 ADAERN CCn1ncc2c(NC)ccnc21 158755286 344132424 /nfs/dbraw/zinc/13/24/24/344132424.db2.gz FWQNDZRIMXSRSG-UHFFFAOYSA-N 0 0 176.223 1.493 10 0 ADAERN COC(=O)[C@H]1CCN1c1ccsc1 158778536 344132453 /nfs/dbraw/zinc/13/24/53/344132453.db2.gz HIHQCUBQJNNTMB-MRVPVSSYSA-N 0 0 197.259 1.500 10 0 ADAERN O=C1NCCC[C@H]1Cc1ccoc1 158760917 344132466 /nfs/dbraw/zinc/13/24/66/344132466.db2.gz FNNQLALESCGUAM-VIFPVBQESA-N 0 0 179.219 1.348 10 0 ADAERN CC[C@H](C)n1ncc2c(N)ccnc21 158753575 344132470 /nfs/dbraw/zinc/13/24/70/344132470.db2.gz LTEYUQMRCVQDHT-ZETCQYMHSA-N 0 0 190.250 1.985 10 0 ADAERN CCCn1ncc2c(N)ccnc21 158753895 344132491 /nfs/dbraw/zinc/13/24/91/344132491.db2.gz GISBAJHCXRXDHD-UHFFFAOYSA-N 0 0 176.223 1.424 10 0 ADAERN O=C(c1cccnc1)c1csnn1 158776634 344132497 /nfs/dbraw/zinc/13/24/97/344132497.db2.gz JGEBFSADMXGGOZ-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN C[C@@H](CO)N(C)C(=O)c1ccsc1 158767512 344132537 /nfs/dbraw/zinc/13/25/37/344132537.db2.gz YYNRWGDYLIKQAM-ZETCQYMHSA-N 0 0 199.275 1.201 10 0 ADAERN Cc1cnc(C(=O)c2cccnc2)cn1 158766159 344132558 /nfs/dbraw/zinc/13/25/58/344132558.db2.gz VZMUVCGQOTWUSB-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CC(C)n1ncc2c(=O)cc[nH]c21 158753318 344132562 /nfs/dbraw/zinc/13/25/62/344132562.db2.gz QPSBDQUPRNXCDD-UHFFFAOYSA-N 0 0 177.207 1.306 10 0 ADAERN O=C(c1cccnc1)c1cnns1 158768992 344132571 /nfs/dbraw/zinc/13/25/71/344132571.db2.gz GNOSGUIBUCMFPF-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN CCCNc1ccnc2c1cnn2C 158754495 344132576 /nfs/dbraw/zinc/13/25/76/344132576.db2.gz GTWLANVKVWSHHT-UHFFFAOYSA-N 0 0 190.250 1.790 10 0 ADAERN C[C@@H](CO)N(C)C(=O)c1cccs1 158780180 344132780 /nfs/dbraw/zinc/13/27/80/344132780.db2.gz ZZSVNFFVHNGXTH-ZETCQYMHSA-N 0 0 199.275 1.201 10 0 ADAERN O=C(c1cccs1)c1cnns1 158796740 344132784 /nfs/dbraw/zinc/13/27/84/344132784.db2.gz SONXAKINMRQHIB-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN O=C(c1cnsn1)c1cccs1 158795405 344132934 /nfs/dbraw/zinc/13/29/34/344132934.db2.gz QGZRAEZTUYDWTF-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN CCC(=O)c1ccc(N(C)C)cn1 158799670 344133015 /nfs/dbraw/zinc/13/30/15/344133015.db2.gz SXHWWBQQKATKLI-UHFFFAOYSA-N 0 0 178.235 1.740 10 0 ADAERN O=C(c1ccnnc1)c1cccs1 158798681 344133038 /nfs/dbraw/zinc/13/30/38/344133038.db2.gz JUVOGJHCJAKJTP-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN C[C@@H](CO)N(C)C(=O)C1CCCCC1 158785640 344133081 /nfs/dbraw/zinc/13/30/81/344133081.db2.gz NIQUXGWIYOGZPS-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN CC[C@@]1(c2ccc(F)cn2)CC(=O)N1 158815965 344133308 /nfs/dbraw/zinc/13/33/08/344133308.db2.gz JNIFXXRAEBAFSR-JTQLQIEISA-N 0 0 194.209 1.346 10 0 ADAERN CC[C@H](O)c1ccc(N(C)C)cn1 158807095 344133485 /nfs/dbraw/zinc/13/34/85/344133485.db2.gz IRGUJKBOSYGUFH-JTQLQIEISA-N 0 0 180.251 1.591 10 0 ADAERN CC[C@@H](O)c1ccc(N(C)C)cn1 158806964 344133527 /nfs/dbraw/zinc/13/35/27/344133527.db2.gz IRGUJKBOSYGUFH-SNVBAGLBSA-N 0 0 180.251 1.591 10 0 ADAERN Cc1oc(N)nc1-c1ccc(F)cn1 158812633 344133551 /nfs/dbraw/zinc/13/35/51/344133551.db2.gz MYJOZQPXJCVGKB-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN O=C(c1csnn1)c1cccs1 158803908 344133564 /nfs/dbraw/zinc/13/35/64/344133564.db2.gz BXIICQHPHORMCB-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN CC[C@]1(c2ccc(F)cn2)CC(=O)N1 158815810 344133566 /nfs/dbraw/zinc/13/35/66/344133566.db2.gz JNIFXXRAEBAFSR-SNVBAGLBSA-N 0 0 194.209 1.346 10 0 ADAERN COC1(c2noc([C@H](C)O)n2)CCC1 158836712 344133717 /nfs/dbraw/zinc/13/37/17/344133717.db2.gz VCIJMXQIBANJOY-LURJTMIESA-N 0 0 198.222 1.149 10 0 ADAERN C[C@@H]1C(O)[C@@H](C)C1c1ccc(F)cn1 158824959 344133779 /nfs/dbraw/zinc/13/37/79/344133779.db2.gz XKHOZAFGSHHEHW-FCMSABBZSA-N 0 0 195.237 1.951 10 0 ADAERN CCOc1ccc(C=O)s1 158822933 344133809 /nfs/dbraw/zinc/13/38/09/344133809.db2.gz XUMDIGQTRGWQBJ-UHFFFAOYSA-N 0 0 156.206 1.959 10 0 ADAERN C[C@H]1C(O)[C@H](C)C1c1ccc(F)cn1 158825118 344133956 /nfs/dbraw/zinc/13/39/56/344133956.db2.gz XKHOZAFGSHHEHW-VYIJYACVSA-N 0 0 195.237 1.951 10 0 ADAERN Cn1cc(C(=O)[C@@H]2CCSC2)cn1 158861551 344134015 /nfs/dbraw/zinc/13/40/15/344134015.db2.gz PVNKYAMPLKVIPY-SSDOTTSWSA-N 0 0 196.275 1.356 10 0 ADAERN CC(C)(C)OCCNCc1ccon1 158870514 344134032 /nfs/dbraw/zinc/13/40/32/344134032.db2.gz BLNKZERPUMXGKZ-UHFFFAOYSA-N 0 0 198.266 1.579 10 0 ADAERN CCN[C@H](C)c1cnsn1 158867616 344134155 /nfs/dbraw/zinc/13/41/55/344134155.db2.gz XWLMECLDRHFXNO-RXMQYKEDSA-N 0 0 157.242 1.209 10 0 ADAERN Nc1cc2c(cc1O)OCCCO2 158881224 344134254 /nfs/dbraw/zinc/13/42/54/344134254.db2.gz BRJDURKEHQJKBB-UHFFFAOYSA-N 0 0 181.191 1.136 10 0 ADAERN CCN[C@@H](C)c1cnsn1 158867468 344134290 /nfs/dbraw/zinc/13/42/90/344134290.db2.gz XWLMECLDRHFXNO-YFKPBYRVSA-N 0 0 157.242 1.209 10 0 ADAERN Cn1cc(C(=O)[C@H]2CCSC2)cn1 158861696 344134330 /nfs/dbraw/zinc/13/43/30/344134330.db2.gz PVNKYAMPLKVIPY-ZETCQYMHSA-N 0 0 196.275 1.356 10 0 ADAERN Cc1cc(C)c(NC(N)=O)cc1N 158869903 344134404 /nfs/dbraw/zinc/13/44/04/344134404.db2.gz PNGPWCXLAHALNB-UHFFFAOYSA-N 0 0 179.223 1.376 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncc(F)cn1 158907596 344134674 /nfs/dbraw/zinc/13/46/74/344134674.db2.gz PXVRMLVCPCLSCX-NKWVEPMBSA-N 0 0 181.214 1.684 10 0 ADAERN C[C@H]1C[C@H]1CNc1ncc(F)cn1 158907864 344134781 /nfs/dbraw/zinc/13/47/81/344134781.db2.gz PXVRMLVCPCLSCX-BQBZGAKWSA-N 0 0 181.214 1.684 10 0 ADAERN CO[C@@H](c1nc(Cl)n[nH]1)C1CC1 158916098 344134785 /nfs/dbraw/zinc/13/47/85/344134785.db2.gz RRALCRBKYVLQGU-RXMQYKEDSA-N 0 0 187.630 1.556 10 0 ADAERN CO[C@H](c1nc(Cl)n[nH]1)C1CC1 158916229 344134896 /nfs/dbraw/zinc/13/48/96/344134896.db2.gz RRALCRBKYVLQGU-YFKPBYRVSA-N 0 0 187.630 1.556 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncc(F)cn1 158907730 344134886 /nfs/dbraw/zinc/13/48/86/344134886.db2.gz PXVRMLVCPCLSCX-RQJHMYQMSA-N 0 0 181.214 1.684 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ncc(F)cn1 158907463 344134913 /nfs/dbraw/zinc/13/49/13/344134913.db2.gz PXVRMLVCPCLSCX-RNFRBKRXSA-N 0 0 181.214 1.684 10 0 ADAERN CSCCn1ccsc1=O 158905956 344134967 /nfs/dbraw/zinc/13/49/67/344134967.db2.gz JUZLQURLEPGPHF-UHFFFAOYSA-N 0 0 175.278 1.273 10 0 ADAERN COC1(c2nc(C=O)c[nH]2)CCC1 158905190 344134987 /nfs/dbraw/zinc/13/49/87/344134987.db2.gz FXAVVBUXDJFXTI-UHFFFAOYSA-N 0 0 180.207 1.248 10 0 ADAERN CC[C@H](OC)c1nc(Cl)n[nH]1 158914207 344135013 /nfs/dbraw/zinc/13/50/13/344135013.db2.gz CACGONGBRIEBCD-BYPYZUCNSA-N 0 0 175.619 1.556 10 0 ADAERN CC[C@@H](OC)c1nc(Cl)n[nH]1 158914350 344135080 /nfs/dbraw/zinc/13/50/80/344135080.db2.gz CACGONGBRIEBCD-SCSAIBSYSA-N 0 0 175.619 1.556 10 0 ADAERN COC1(c2nc(Cl)n[nH]2)CCC1 158914067 344135099 /nfs/dbraw/zinc/13/50/99/344135099.db2.gz LEHJTHSTTPJAMU-UHFFFAOYSA-N 0 0 187.630 1.484 10 0 ADAERN CNc1nc(C2(OC)CCC2)ns1 158928891 344135341 /nfs/dbraw/zinc/13/53/41/344135341.db2.gz CDKHDOJTKSPQST-UHFFFAOYSA-N 0 0 199.279 1.605 10 0 ADAERN CC(C)(C)ONC(=O)NC1CC1 158954765 344135398 /nfs/dbraw/zinc/13/53/98/344135398.db2.gz HNVBVBMTSGULHW-UHFFFAOYSA-N 0 0 172.228 1.178 10 0 ADAERN C[C@H](Nc1ncc(F)cn1)[C@@H](C)CO 158925808 344135416 /nfs/dbraw/zinc/13/54/16/344135416.db2.gz JHQVRPWASOCWOD-BQBZGAKWSA-N 0 0 199.229 1.045 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1ncc(F)cn1 158925962 344135420 /nfs/dbraw/zinc/13/54/20/344135420.db2.gz JHQVRPWASOCWOD-RQJHMYQMSA-N 0 0 199.229 1.045 10 0 ADAERN Cc1nnc(Br)nc1C 158965077 344135433 /nfs/dbraw/zinc/13/54/33/344135433.db2.gz RKJIMZZFBKHXFX-UHFFFAOYSA-N 0 0 188.028 1.251 10 0 ADAERN CC[C@@H](OC)c1nc(N)cs1 158964129 344135485 /nfs/dbraw/zinc/13/54/85/344135485.db2.gz AFLPJZVOORYCEL-RXMQYKEDSA-N 0 0 172.253 1.823 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1ncc(F)cn1 158925540 344135502 /nfs/dbraw/zinc/13/55/02/344135502.db2.gz JHQVRPWASOCWOD-NKWVEPMBSA-N 0 0 199.229 1.045 10 0 ADAERN CCC[C@H](O)c1csnn1 158965435 344135503 /nfs/dbraw/zinc/13/55/03/344135503.db2.gz YEERHQNOZCESLN-LURJTMIESA-N 0 0 158.226 1.372 10 0 ADAERN CO[C@H](c1nc(N)cs1)C1CC1 158963533 344135536 /nfs/dbraw/zinc/13/55/36/344135536.db2.gz OEEFFBWENUNFQJ-ZETCQYMHSA-N 0 0 184.264 1.823 10 0 ADAERN CCC[C@@H](O)c1csnn1 158965563 344135538 /nfs/dbraw/zinc/13/55/38/344135538.db2.gz YEERHQNOZCESLN-ZCFIWIBFSA-N 0 0 158.226 1.372 10 0 ADAERN CCC[C@H](O)c1cc(C)nn1C 158967432 344135546 /nfs/dbraw/zinc/13/55/46/344135546.db2.gz XPFJSOXRPQDSAC-VIFPVBQESA-N 0 0 168.240 1.562 10 0 ADAERN COC1(c2nc(N)cs2)CCC1 158962654 344135590 /nfs/dbraw/zinc/13/55/90/344135590.db2.gz CFHQTGBTBSVLFN-UHFFFAOYSA-N 0 0 184.264 1.751 10 0 ADAERN CC(C)(CCO)Nc1ncc(F)cn1 158928428 344135592 /nfs/dbraw/zinc/13/55/92/344135592.db2.gz OMGAJKGZOOQJDY-UHFFFAOYSA-N 0 0 199.229 1.189 10 0 ADAERN COCCCCSCCO 158928017 344135597 /nfs/dbraw/zinc/13/55/97/344135597.db2.gz BNEWVOVKLVPNFD-UHFFFAOYSA-N 0 0 164.270 1.139 10 0 ADAERN CC[C@H](OC)c1nc(N)cs1 158963983 344135637 /nfs/dbraw/zinc/13/56/37/344135637.db2.gz AFLPJZVOORYCEL-YFKPBYRVSA-N 0 0 172.253 1.823 10 0 ADAERN CC[C@H](OC)c1nsc(NC)n1 158926893 344135644 /nfs/dbraw/zinc/13/56/44/344135644.db2.gz LNWZSLXONUUGIA-YFKPBYRVSA-N 0 0 187.268 1.677 10 0 ADAERN COC1(c2nc(CO)cs2)CCC1 158948965 344135648 /nfs/dbraw/zinc/13/56/48/344135648.db2.gz BENORLHRTVSJBS-UHFFFAOYSA-N 0 0 199.275 1.661 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1ncc(F)cn1 158925661 344135653 /nfs/dbraw/zinc/13/56/53/344135653.db2.gz JHQVRPWASOCWOD-RNFRBKRXSA-N 0 0 199.229 1.045 10 0 ADAERN CC[C@@H](OC)c1nsc(NC)n1 158927045 344135657 /nfs/dbraw/zinc/13/56/57/344135657.db2.gz LNWZSLXONUUGIA-RXMQYKEDSA-N 0 0 187.268 1.677 10 0 ADAERN CO[C@@H](c1nc(N)cs1)C1CC1 158963390 344135660 /nfs/dbraw/zinc/13/56/60/344135660.db2.gz OEEFFBWENUNFQJ-SSDOTTSWSA-N 0 0 184.264 1.823 10 0 ADAERN CC(C)(C)OCCn1cc(CO)cn1 158924845 344135665 /nfs/dbraw/zinc/13/56/65/344135665.db2.gz OXKRIBMGCDHICK-UHFFFAOYSA-N 0 0 198.266 1.191 10 0 ADAERN Cc1ccc(N(C)[C@@H](C)CO)nc1 158986725 344135927 /nfs/dbraw/zinc/13/59/27/344135927.db2.gz DEUIYUZMHSWGJX-VIFPVBQESA-N 0 0 180.251 1.207 10 0 ADAERN CNc1nnc(CC(C)(C)C)n1C 159013090 344136405 /nfs/dbraw/zinc/13/64/05/344136405.db2.gz CAWHVDLWYBRLRS-UHFFFAOYSA-N 0 0 182.271 1.445 10 0 ADAERN C[C@@H](CO)N(C)c1cccc(F)n1 159000599 344136409 /nfs/dbraw/zinc/13/64/09/344136409.db2.gz NSXAQKSMUGNNEH-ZETCQYMHSA-N 0 0 184.214 1.038 10 0 ADAERN CNc1nnc([C@@H]2CC[C@@H](C)O2)n1C 159003424 344136444 /nfs/dbraw/zinc/13/64/44/344136444.db2.gz WGXOSIUSKDSCQN-RQJHMYQMSA-N 0 0 196.254 1.097 10 0 ADAERN CNc1nnc(-c2cccs2)n1C 159003724 344136501 /nfs/dbraw/zinc/13/65/01/344136501.db2.gz QBFBBTMPIDHRTI-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN CCC(C)(C)c1nnc(NC)n1C 159002378 344136520 /nfs/dbraw/zinc/13/65/20/344136520.db2.gz DWQOUNRBTDEFAR-UHFFFAOYSA-N 0 0 182.271 1.544 10 0 ADAERN CNc1nnc([C@@H]2CCCCO2)n1C 159005089 344136523 /nfs/dbraw/zinc/13/65/23/344136523.db2.gz RNEOGXYQYRQLJC-ZETCQYMHSA-N 0 0 196.254 1.098 10 0 ADAERN CNc1nnc(-c2ccoc2)n1C 159010730 344136530 /nfs/dbraw/zinc/13/65/30/344136530.db2.gz CZMWNLCXRXZDHB-UHFFFAOYSA-N 0 0 178.195 1.117 10 0 ADAERN CNc1nnc([C@H](C)C(C)C)n1C 159008033 344136576 /nfs/dbraw/zinc/13/65/76/344136576.db2.gz NBZNROCWWOTJKH-SSDOTTSWSA-N 0 0 182.271 1.616 10 0 ADAERN CNc1nnc(-c2ccsc2)n1C 159002221 344136593 /nfs/dbraw/zinc/13/65/93/344136593.db2.gz RKESDINJOUFJRR-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN C[C@H]1OCC[C@H]1Nc1ncc(F)cn1 159006052 344136603 /nfs/dbraw/zinc/13/66/03/344136603.db2.gz YLJMQTSNYAPWSX-HTRCEHHLSA-N 0 0 197.213 1.205 10 0 ADAERN CNc1nnc([C@@H]2CCCS2)n1C 159002866 344136606 /nfs/dbraw/zinc/13/66/06/344136606.db2.gz WJNOGBVUZPQAOR-LURJTMIESA-N 0 0 198.295 1.425 10 0 ADAERN CNc1nnc([C@H]2CCCS2)n1C 159003006 344136615 /nfs/dbraw/zinc/13/66/15/344136615.db2.gz WJNOGBVUZPQAOR-ZCFIWIBFSA-N 0 0 198.295 1.425 10 0 ADAERN CNc1nnc([C@@H]2CC[C@H](C)O2)n1C 159003579 344136690 /nfs/dbraw/zinc/13/66/90/344136690.db2.gz WGXOSIUSKDSCQN-BQBZGAKWSA-N 0 0 196.254 1.097 10 0 ADAERN CNc1nnc(-c2occc2C)n1C 159005846 344136648 /nfs/dbraw/zinc/13/66/48/344136648.db2.gz RWXLVZSEVHRVRE-UHFFFAOYSA-N 0 0 192.222 1.425 10 0 ADAERN CNc1nnc([C@H]2CC[C@@H](C)O2)n1C 159003163 344136663 /nfs/dbraw/zinc/13/66/63/344136663.db2.gz WGXOSIUSKDSCQN-RNFRBKRXSA-N 0 0 196.254 1.097 10 0 ADAERN Cc1ccnc(N(C)[C@@H](C)CO)c1 159005164 344136668 /nfs/dbraw/zinc/13/66/68/344136668.db2.gz KAGVGCWZKULJPW-VIFPVBQESA-N 0 0 180.251 1.207 10 0 ADAERN CNc1nnc([C@H]2CCCCO2)n1C 159005233 344136698 /nfs/dbraw/zinc/13/66/98/344136698.db2.gz RNEOGXYQYRQLJC-SSDOTTSWSA-N 0 0 196.254 1.098 10 0 ADAERN CNc1nnc([C@H]2CC[C@H](C)O2)n1C 159003275 344136701 /nfs/dbraw/zinc/13/67/01/344136701.db2.gz WGXOSIUSKDSCQN-NKWVEPMBSA-N 0 0 196.254 1.097 10 0 ADAERN CNc1nnc(-c2ccoc2C)n1C 159009654 344136712 /nfs/dbraw/zinc/13/67/12/344136712.db2.gz POFFCLHXSOTDEX-UHFFFAOYSA-N 0 0 192.222 1.425 10 0 ADAERN CCNc1nnc(C)n1CC 159017687 344136954 /nfs/dbraw/zinc/13/69/54/344136954.db2.gz RAKLZVLLQBLNAE-UHFFFAOYSA-N 0 0 154.217 1.038 10 0 ADAERN CCNc1nnc(C2CC2)n1CC 159019719 344136902 /nfs/dbraw/zinc/13/69/02/344136902.db2.gz FIJQFASLTMDQKO-UHFFFAOYSA-N 0 0 180.255 1.607 10 0 ADAERN O[C@H](c1cncnc1)[C@@H]1CCSC1 159015060 344136968 /nfs/dbraw/zinc/13/69/68/344136968.db2.gz STNLYRFJIWBEHB-APPZFPTMSA-N 0 0 196.275 1.263 10 0 ADAERN CCNc1nnc(C2CCC2)n1CC 159018146 344136982 /nfs/dbraw/zinc/13/69/82/344136982.db2.gz CFAPPKQKGXCAJP-UHFFFAOYSA-N 0 0 194.282 1.997 10 0 ADAERN O[C@@H](c1cncnc1)[C@H]1CCSC1 159015215 344137040 /nfs/dbraw/zinc/13/70/40/344137040.db2.gz STNLYRFJIWBEHB-IONNQARKSA-N 0 0 196.275 1.263 10 0 ADAERN CNc1nnc([C@H]2CCSC2)n1C 159017110 344137085 /nfs/dbraw/zinc/13/70/85/344137085.db2.gz CHUUSBDKAHSECA-LURJTMIESA-N 0 0 198.295 1.077 10 0 ADAERN CNc1nnc([C@@H]2CCSC2)n1C 159016983 344137110 /nfs/dbraw/zinc/13/71/10/344137110.db2.gz CHUUSBDKAHSECA-ZCFIWIBFSA-N 0 0 198.295 1.077 10 0 ADAERN O[C@@H](c1cncnc1)[C@@H]1CCSC1 159014908 344137116 /nfs/dbraw/zinc/13/71/16/344137116.db2.gz STNLYRFJIWBEHB-VXNVDRBHSA-N 0 0 196.275 1.263 10 0 ADAERN CNc1nnc([C@H](C)C2CC2)n1C 159015343 344137119 /nfs/dbraw/zinc/13/71/19/344137119.db2.gz PJFNWACWMXGRPV-ZCFIWIBFSA-N 0 0 180.255 1.370 10 0 ADAERN O[C@H](c1cncnc1)[C@H]1CCSC1 159015331 344137147 /nfs/dbraw/zinc/13/71/47/344137147.db2.gz STNLYRFJIWBEHB-CBAPKCEASA-N 0 0 196.275 1.263 10 0 ADAERN Cc1ccoc1-c1noc([C@@H](C)N)n1 159020099 344137154 /nfs/dbraw/zinc/13/71/54/344137154.db2.gz JYVDNJBZLRJFNH-ZCFIWIBFSA-N 0 0 193.206 1.658 10 0 ADAERN CNc1nnc(C2(C)CCCC2)n1C 159014785 344137183 /nfs/dbraw/zinc/13/71/83/344137183.db2.gz YDCPXDMRRAOCFC-UHFFFAOYSA-N 0 0 194.282 1.689 10 0 ADAERN CNc1nc(SC)c2[nH]cnc2n1 159049974 344137714 /nfs/dbraw/zinc/13/77/14/344137714.db2.gz HHCCBXPIBUDWTI-UHFFFAOYSA-N 0 0 195.251 1.117 10 0 ADAERN Cn1cc(OCc2ccccc2)cn1 159055749 344138117 /nfs/dbraw/zinc/13/81/17/344138117.db2.gz IRTHHEGCYGUXEN-UHFFFAOYSA-N 0 0 188.230 1.999 10 0 ADAERN CC[C@@](C)(O)c1cnc(N)s1 159798643 344152149 /nfs/dbraw/zinc/15/21/49/344152149.db2.gz DKGXMJVNTJSGPB-SSDOTTSWSA-N 0 0 172.253 1.343 10 0 ADAERN Cc1ccc(C(=O)c2cncnc2)cn1 159112750 344138855 /nfs/dbraw/zinc/13/88/55/344138855.db2.gz YVOJZMSFFFKZAW-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CC(C)OCc1nc2cccnc2[nH]1 159096796 344139132 /nfs/dbraw/zinc/13/91/32/344139132.db2.gz DNRRLZKOQGXSPP-UHFFFAOYSA-N 0 0 191.234 1.883 10 0 ADAERN CO[C@]1(C(N)=S)CCC[C@@H](C)C1 159158744 344139354 /nfs/dbraw/zinc/13/93/54/344139354.db2.gz HCIIJHALMMANQL-VXNVDRBHSA-N 0 0 187.308 1.868 10 0 ADAERN CO[C@@]1(C(N)=S)CCC[C@@H](C)C1 159159045 344139378 /nfs/dbraw/zinc/13/93/78/344139378.db2.gz HCIIJHALMMANQL-APPZFPTMSA-N 0 0 187.308 1.868 10 0 ADAERN CCC[C@H](O)c1cnc(N)s1 159823129 344152713 /nfs/dbraw/zinc/15/27/13/344152713.db2.gz XTWRRRCHLPUDSB-YFKPBYRVSA-N 0 0 172.253 1.559 10 0 ADAERN CO[C@]1(C(N)=S)CCC[C@H](C)C1 159158895 344139607 /nfs/dbraw/zinc/13/96/07/344139607.db2.gz HCIIJHALMMANQL-IONNQARKSA-N 0 0 187.308 1.868 10 0 ADAERN CO[C@@]1(C(N)=S)CCC[C@H](C)C1 159159178 344139636 /nfs/dbraw/zinc/13/96/36/344139636.db2.gz HCIIJHALMMANQL-CBAPKCEASA-N 0 0 187.308 1.868 10 0 ADAERN COC1(C(N)=S)CCCCC1 159157688 344139678 /nfs/dbraw/zinc/13/96/78/344139678.db2.gz HDNMTUXCFZCXAQ-UHFFFAOYSA-N 0 0 173.281 1.622 10 0 ADAERN Cn1cnnc1COC(C)(C)C 159147488 344139702 /nfs/dbraw/zinc/13/97/02/344139702.db2.gz RTEDBLZLUMCZMN-UHFFFAOYSA-N 0 0 169.228 1.130 10 0 ADAERN COC1(C(N)=S)CCC(C)CC1 159160164 344139732 /nfs/dbraw/zinc/13/97/32/344139732.db2.gz AYOOOYCXYJERNP-UHFFFAOYSA-N 0 0 187.308 1.868 10 0 ADAERN CCOC1(C(N)=S)CCCC1 159157534 344139779 /nfs/dbraw/zinc/13/97/79/344139779.db2.gz OWSCYLLCWGXIFR-UHFFFAOYSA-N 0 0 173.281 1.622 10 0 ADAERN Nc1cccnc1NC1CC=CC1 159168757 344139919 /nfs/dbraw/zinc/13/99/19/344139919.db2.gz PQQHBVUKCJHTTL-UHFFFAOYSA-N 0 0 175.235 1.794 10 0 ADAERN COC1(c2noc(N)n2)CCCCC1 159202302 344140170 /nfs/dbraw/zinc/14/01/70/344140170.db2.gz CYGMAURWZOVRQG-UHFFFAOYSA-N 0 0 197.238 1.458 10 0 ADAERN COC(=O)C(=O)c1sc(C)cc1C 159216172 344140621 /nfs/dbraw/zinc/14/06/21/344140621.db2.gz AHIPRMMJWKXYMW-UHFFFAOYSA-N 0 0 198.243 1.721 10 0 ADAERN C[C@]1(NCC(F)(F)F)CCOC1 159219947 344140682 /nfs/dbraw/zinc/14/06/82/344140682.db2.gz BNNRKIRVCPYCIK-LURJTMIESA-N 0 0 183.173 1.317 10 0 ADAERN C[C@@]1(NCC(F)(F)F)CCOC1 159220070 344140729 /nfs/dbraw/zinc/14/07/29/344140729.db2.gz BNNRKIRVCPYCIK-ZCFIWIBFSA-N 0 0 183.173 1.317 10 0 ADAERN CC(C)(C)C(=O)Nc1ncccc1N 159238328 344141276 /nfs/dbraw/zinc/14/12/76/344141276.db2.gz HGJCMINFQOLGHX-UHFFFAOYSA-N 0 0 193.250 1.648 10 0 ADAERN Cc1cccnc1N[C@@H](C)[C@@H](C)CO 159253139 344141336 /nfs/dbraw/zinc/14/13/36/344141336.db2.gz VVDJBJYHCUDAPW-UWVGGRQHSA-N 0 0 194.278 1.819 10 0 ADAERN Cc1cccnc1N[C@H](C)[C@@H](C)CO 159253276 344141410 /nfs/dbraw/zinc/14/14/10/344141410.db2.gz VVDJBJYHCUDAPW-VHSXEESVSA-N 0 0 194.278 1.819 10 0 ADAERN Cc1cccnc1N[C@@H](C)[C@H](C)CO 159253404 344141420 /nfs/dbraw/zinc/14/14/20/344141420.db2.gz VVDJBJYHCUDAPW-ZJUUUORDSA-N 0 0 194.278 1.819 10 0 ADAERN Cc1cccnc1N[C@H](C)[C@H](C)CO 159253545 344141443 /nfs/dbraw/zinc/14/14/43/344141443.db2.gz VVDJBJYHCUDAPW-NXEZZACHSA-N 0 0 194.278 1.819 10 0 ADAERN CC[C@@H](O)c1cc(C)nn1CC 159277443 344141618 /nfs/dbraw/zinc/14/16/18/344141618.db2.gz ZTFVFYZKCWPNSQ-SECBINFHSA-N 0 0 168.240 1.655 10 0 ADAERN CC(C)[C@@H](O)CNc1ccccc1N 159304092 344141900 /nfs/dbraw/zinc/14/19/00/344141900.db2.gz MMTCOTGQNLCZEA-NSHDSACASA-N 0 0 194.278 1.698 10 0 ADAERN C[C@H]1C/C(=C\C(=O)[O-])C[N@@H+]1C1CC1 159302517 344141905 /nfs/dbraw/zinc/14/19/05/344141905.db2.gz UNNXZQQTCAHJFT-QAZRXNLGSA-N 0 0 181.235 1.254 10 0 ADAERN CCc1nnsc1[C@@H](O)CC 159282055 344141926 /nfs/dbraw/zinc/14/19/26/344141926.db2.gz XXTDNKSVQPBYDU-LURJTMIESA-N 0 0 172.253 1.544 10 0 ADAERN C[C@@H]1C/C(=C\C(=O)[O-])C[N@@H+]1C1CC1 159302372 344141970 /nfs/dbraw/zinc/14/19/70/344141970.db2.gz UNNXZQQTCAHJFT-KBUNYLKBSA-N 0 0 181.235 1.254 10 0 ADAERN COC(=O)c1nnc(C2CCC2)o1 159292726 344142032 /nfs/dbraw/zinc/14/20/32/344142032.db2.gz MIWMEUSTVBBEHN-UHFFFAOYSA-N 0 0 182.179 1.124 10 0 ADAERN COC(=O)c1nnc(-c2ccoc2)o1 159289082 344142052 /nfs/dbraw/zinc/14/20/52/344142052.db2.gz BBFWPQGRYKICOL-UHFFFAOYSA-N 0 0 194.146 1.116 10 0 ADAERN CC(C)[C@H](O)CNc1ccccc1N 159303966 344142074 /nfs/dbraw/zinc/14/20/74/344142074.db2.gz MMTCOTGQNLCZEA-LLVKDONJSA-N 0 0 194.278 1.698 10 0 ADAERN CC[C@H](O)c1cnc(C)cn1 159283849 344142082 /nfs/dbraw/zinc/14/20/82/344142082.db2.gz PTEYQTYGFAFDOJ-QMMMGPOBSA-N 0 0 152.197 1.228 10 0 ADAERN CC[C@@H](O)c1cnc(C)cn1 159283982 344142086 /nfs/dbraw/zinc/14/20/86/344142086.db2.gz PTEYQTYGFAFDOJ-MRVPVSSYSA-N 0 0 152.197 1.228 10 0 ADAERN CC[C@H](O)c1cc(C)nn1CC 159277322 344142091 /nfs/dbraw/zinc/14/20/91/344142091.db2.gz ZTFVFYZKCWPNSQ-VIFPVBQESA-N 0 0 168.240 1.655 10 0 ADAERN CCc1nnsc1[C@H](O)CC 159281932 344142095 /nfs/dbraw/zinc/14/20/95/344142095.db2.gz XXTDNKSVQPBYDU-ZCFIWIBFSA-N 0 0 172.253 1.544 10 0 ADAERN Nc1cccc(N2CC[C@H](CO)C2)c1 159332722 344142205 /nfs/dbraw/zinc/14/22/05/344142205.db2.gz IJOGNTGGYUIIPZ-VIFPVBQESA-N 0 0 192.262 1.087 10 0 ADAERN Nc1cccc(N2CC[C@@H](CO)C2)c1 159332871 344142532 /nfs/dbraw/zinc/14/25/32/344142532.db2.gz IJOGNTGGYUIIPZ-SECBINFHSA-N 0 0 192.262 1.087 10 0 ADAERN COC(C)(C)Cn1cnnc1Cl 159363233 344142795 /nfs/dbraw/zinc/14/27/95/344142795.db2.gz QTDBWVJHXYWHKK-UHFFFAOYSA-N 0 0 189.646 1.357 10 0 ADAERN COC1(C(=O)C(C)C)CCOCC1 159401984 344144226 /nfs/dbraw/zinc/14/42/26/344144226.db2.gz UOOLMCUBLOEXTQ-UHFFFAOYSA-N 0 0 186.251 1.407 10 0 ADAERN C[C@@H](O)C(C)(C)Nc1ccccc1N 159431420 344144727 /nfs/dbraw/zinc/14/47/27/344144727.db2.gz AFCZVZGTLPPWQC-MRVPVSSYSA-N 0 0 194.278 1.840 10 0 ADAERN CC=CC(=O)Nc1n[nH]cc1CC 159454535 344145380 /nfs/dbraw/zinc/14/53/80/344145380.db2.gz QSPKDFKMEHHCOJ-HWKANZROSA-N 0 0 179.223 1.487 10 0 ADAERN Cc1nc(C)c(C2N=NC(=S)O2)o1 159479166 344145686 /nfs/dbraw/zinc/14/56/86/344145686.db2.gz ZVGDPEVDSXIMEV-UHFFFAOYSA-N 0 0 197.219 1.630 10 0 ADAERN CC[C@@](C)(OC)[C@@H](C)O 159502526 344146214 /nfs/dbraw/zinc/14/62/14/344146214.db2.gz ATWROEXUNYCOEL-RNFRBKRXSA-N 0 0 132.203 1.182 10 0 ADAERN CCc1nn(C)cc1[C@@H]1C[C@@H]1CO 159492288 344146319 /nfs/dbraw/zinc/14/63/19/344146319.db2.gz UNTDKIIKXJXDNC-HTQZYQBOSA-N 0 0 180.251 1.078 10 0 ADAERN CC(C)Nc1cnnc(Cl)c1 159492652 344146324 /nfs/dbraw/zinc/14/63/24/344146324.db2.gz VQSCYTDRRIOVOS-UHFFFAOYSA-N 0 0 171.631 1.950 10 0 ADAERN Cc1ncoc1C1N=NC(=S)N1 159492073 344146341 /nfs/dbraw/zinc/14/63/41/344146341.db2.gz YPFTXLJQEHEIHQ-UHFFFAOYSA-N 0 0 182.208 1.057 10 0 ADAERN CC[C@@](C)(OC)[C@H](C)O 159502770 344146399 /nfs/dbraw/zinc/14/63/99/344146399.db2.gz ATWROEXUNYCOEL-NKWVEPMBSA-N 0 0 132.203 1.182 10 0 ADAERN CC[C@](C)(OC)[C@H](C)O 159502639 344146417 /nfs/dbraw/zinc/14/64/17/344146417.db2.gz ATWROEXUNYCOEL-BQBZGAKWSA-N 0 0 132.203 1.182 10 0 ADAERN CCc1nn(C)cc1[C@H]1C[C@H]1CO 159492669 344146468 /nfs/dbraw/zinc/14/64/68/344146468.db2.gz UNTDKIIKXJXDNC-YUMQZZPRSA-N 0 0 180.251 1.078 10 0 ADAERN Cc1nc(C)c(C2N=NC(=S)N2)o1 159491945 344146500 /nfs/dbraw/zinc/14/65/00/344146500.db2.gz NASWKEXQCZPUCL-UHFFFAOYSA-N 0 0 196.235 1.365 10 0 ADAERN CCc1nn(C)cc1[C@@H]1C[C@H]1CO 159492514 344146530 /nfs/dbraw/zinc/14/65/30/344146530.db2.gz UNTDKIIKXJXDNC-JGVFFNPUSA-N 0 0 180.251 1.078 10 0 ADAERN CC[C@](C)(OC)[C@@H](C)O 159502395 344146575 /nfs/dbraw/zinc/14/65/75/344146575.db2.gz ATWROEXUNYCOEL-RQJHMYQMSA-N 0 0 132.203 1.182 10 0 ADAERN CCc1nn(C)cc1[C@H]1C[C@@H]1CO 159492376 344146672 /nfs/dbraw/zinc/14/66/72/344146672.db2.gz UNTDKIIKXJXDNC-SFYZADRCSA-N 0 0 180.251 1.078 10 0 ADAERN Cc1csc(CNc2cn[nH]c2)n1 159540273 344146985 /nfs/dbraw/zinc/14/69/85/344146985.db2.gz STTBGQUEDAXJGH-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CC1(C)[C@@H](Nc2cccnc2)C[C@H]1O 159545916 344147816 /nfs/dbraw/zinc/14/78/16/344147816.db2.gz PYBOAUKSZXDQQX-VHSXEESVSA-N 0 0 192.262 1.653 10 0 ADAERN Cc1csc(Cn2nccc2N)n1 159550111 344147823 /nfs/dbraw/zinc/14/78/23/344147823.db2.gz GDFZUUYLLKKVOK-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1Nc1cccnc1 159545748 344147876 /nfs/dbraw/zinc/14/78/76/344147876.db2.gz PYBOAUKSZXDQQX-NXEZZACHSA-N 0 0 192.262 1.653 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1Nc1cccnc1 159545494 344147967 /nfs/dbraw/zinc/14/79/67/344147967.db2.gz PYBOAUKSZXDQQX-ZJUUUORDSA-N 0 0 192.262 1.653 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1Nc1cccnc1 159545620 344147998 /nfs/dbraw/zinc/14/79/98/344147998.db2.gz PYBOAUKSZXDQQX-UWVGGRQHSA-N 0 0 192.262 1.653 10 0 ADAERN Cc1csc(S[C@@H](C)CO)n1 160954061 344181694 /nfs/dbraw/zinc/18/16/94/344181694.db2.gz XUJYIPQXDFZIOR-LURJTMIESA-N 0 0 189.305 1.924 10 0 ADAERN CC(C)(C)ON[C@@H]1C[C@@H](O)C1(C)C 159573247 344148340 /nfs/dbraw/zinc/14/83/40/344148340.db2.gz OCUOTMCJJZSLDF-HTQZYQBOSA-N 0 0 187.283 1.466 10 0 ADAERN CC1(C)[C@@H](NOC2CCCC2)C[C@H]1O 159576997 344148376 /nfs/dbraw/zinc/14/83/76/344148376.db2.gz KHJODXKSTWTKOU-VHSXEESVSA-N 0 0 199.294 1.610 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1NOC1CCCC1 159576652 344148396 /nfs/dbraw/zinc/14/83/96/344148396.db2.gz KHJODXKSTWTKOU-ZJUUUORDSA-N 0 0 199.294 1.610 10 0 ADAERN Cc1nn(C)cc1[C@@H](O)CC1CC1 159580657 344148407 /nfs/dbraw/zinc/14/84/07/344148407.db2.gz RWXXWTMUVUAOJL-JTQLQIEISA-N 0 0 180.251 1.562 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1NOC1CCCC1 159576773 344148485 /nfs/dbraw/zinc/14/84/85/344148485.db2.gz KHJODXKSTWTKOU-UWVGGRQHSA-N 0 0 199.294 1.610 10 0 ADAERN COC(=O)/C=C/c1nc(C)cs1 159583003 344148546 /nfs/dbraw/zinc/14/85/46/344148546.db2.gz LUAKVTLJDPIXCG-ONEGZZNKSA-N 0 0 183.232 1.638 10 0 ADAERN CC(C)(C)ON[C@@H]1C[C@H](O)C1(C)C 159572958 344148572 /nfs/dbraw/zinc/14/85/72/344148572.db2.gz OCUOTMCJJZSLDF-SFYZADRCSA-N 0 0 187.283 1.466 10 0 ADAERN CC(C)(C)ON[C@H]1C[C@H](O)C1(C)C 159573092 344148598 /nfs/dbraw/zinc/14/85/98/344148598.db2.gz OCUOTMCJJZSLDF-YUMQZZPRSA-N 0 0 187.283 1.466 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1NOC1CCCC1 159576871 344148669 /nfs/dbraw/zinc/14/86/69/344148669.db2.gz KHJODXKSTWTKOU-NXEZZACHSA-N 0 0 199.294 1.610 10 0 ADAERN CC(C)(C)ON[C@H]1C[C@@H](O)C1(C)C 159573370 344148671 /nfs/dbraw/zinc/14/86/71/344148671.db2.gz OCUOTMCJJZSLDF-JGVFFNPUSA-N 0 0 187.283 1.466 10 0 ADAERN Cc1nn(C)cc1[C@H](O)CC1CC1 159580508 344148766 /nfs/dbraw/zinc/14/87/66/344148766.db2.gz RWXXWTMUVUAOJL-SNVBAGLBSA-N 0 0 180.251 1.562 10 0 ADAERN Cc1csc(-c2nsc(N)n2)n1 159588724 344148995 /nfs/dbraw/zinc/14/89/95/344148995.db2.gz IBPYIDKUXKLJPW-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN C[C@H](O)COC1C[C@@H](C)O[C@H](C)C1 159604821 344149143 /nfs/dbraw/zinc/14/91/43/344149143.db2.gz NWXMMHDQCWXRRW-DJLDLDEBSA-N 0 0 188.267 1.340 10 0 ADAERN Cc1csc(-c2ncc(N)cn2)n1 159585856 344149192 /nfs/dbraw/zinc/14/91/92/344149192.db2.gz PISQVCIJVWDRHV-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1csc([C@@H]2NCCS2)n1 159619761 344149373 /nfs/dbraw/zinc/14/93/73/344149373.db2.gz JKPFIGNCGYDWKO-ZCFIWIBFSA-N 0 0 186.305 1.787 10 0 ADAERN O=C1CCN(Cc2cncs2)CC1 159620384 344149408 /nfs/dbraw/zinc/14/94/08/344149408.db2.gz SYUZXUSDRLBCBH-UHFFFAOYSA-N 0 0 196.275 1.308 10 0 ADAERN OCc1ccn(Cc2cncs2)c1 159653782 344149429 /nfs/dbraw/zinc/14/94/29/344149429.db2.gz LZIBFGAUEQVPPR-UHFFFAOYSA-N 0 0 194.259 1.485 10 0 ADAERN Cc1csc(-c2nc(CO)c[nH]2)n1 159650472 344149464 /nfs/dbraw/zinc/14/94/64/344149464.db2.gz FOXLIXLALGXQSA-UHFFFAOYSA-N 0 0 195.247 1.334 10 0 ADAERN O=C1CCCN(Cc2cncs2)C1 159620526 344149481 /nfs/dbraw/zinc/14/94/81/344149481.db2.gz CYDXWXFUUUFCDC-UHFFFAOYSA-N 0 0 196.275 1.308 10 0 ADAERN C[C@H]1CC(OC2CC(=O)C2)C[C@H](C)O1 159649835 344149549 /nfs/dbraw/zinc/14/95/49/344149549.db2.gz HCAAUPIFYAEPJU-YUMQZZPRSA-N 0 0 198.262 1.691 10 0 ADAERN O=Cc1ccn(Cc2cncs2)c1 159653093 344149597 /nfs/dbraw/zinc/14/95/97/344149597.db2.gz IMLUUSBEURKQNC-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN OCC1(Nc2ncc(Cl)cn2)CC1 159629453 344149608 /nfs/dbraw/zinc/14/96/08/344149608.db2.gz JXGVATOVDJJKEN-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN C[C@@H]1CC(OC2CC(=O)C2)C[C@@H](C)O1 159649945 344149626 /nfs/dbraw/zinc/14/96/26/344149626.db2.gz HCAAUPIFYAEPJU-HTQZYQBOSA-N 0 0 198.262 1.691 10 0 ADAERN OCC1(Nc2ccnc(Cl)n2)CC1 159629953 344149634 /nfs/dbraw/zinc/14/96/34/344149634.db2.gz BOLUFRJLYQQJMB-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN O[C@@H](Cc1cncs1)[C@@H]1CCCO1 159681466 344149883 /nfs/dbraw/zinc/14/98/83/344149883.db2.gz VLXFRGWQQFBFIH-IUCAKERBSA-N 0 0 199.275 1.226 10 0 ADAERN C[C@@H]1OCC[C@]1(O)Cc1cncs1 159681324 344149918 /nfs/dbraw/zinc/14/99/18/344149918.db2.gz IUZMUWZUVWVKTI-CBAPKCEASA-N 0 0 199.275 1.226 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)Cc1cncs1 159681040 344149943 /nfs/dbraw/zinc/14/99/43/344149943.db2.gz IUZMUWZUVWVKTI-IONNQARKSA-N 0 0 199.275 1.226 10 0 ADAERN CCC(CC)(OC)[C@@H](C)O 159670086 344149945 /nfs/dbraw/zinc/14/99/45/344149945.db2.gz ZAQDSZLTWRKDHD-SSDOTTSWSA-N 0 0 146.230 1.572 10 0 ADAERN O[C@H](Cc1cncs1)[C@H]1CCCO1 159681882 344149964 /nfs/dbraw/zinc/14/99/64/344149964.db2.gz VLXFRGWQQFBFIH-RKDXNWHRSA-N 0 0 199.275 1.226 10 0 ADAERN C[C@H]1OCC[C@@]1(O)Cc1cncs1 159680900 344149967 /nfs/dbraw/zinc/14/99/67/344149967.db2.gz IUZMUWZUVWVKTI-VXNVDRBHSA-N 0 0 199.275 1.226 10 0 ADAERN O[C@H](Cc1cncs1)[C@@H]1CCCO1 159681610 344149968 /nfs/dbraw/zinc/14/99/68/344149968.db2.gz VLXFRGWQQFBFIH-BDAKNGLRSA-N 0 0 199.275 1.226 10 0 ADAERN O[C@@H](Cc1cncs1)[C@H]1CCCO1 159681751 344149997 /nfs/dbraw/zinc/14/99/97/344149997.db2.gz VLXFRGWQQFBFIH-DTWKUNHWSA-N 0 0 199.275 1.226 10 0 ADAERN Cc1csc([C@@H]2CC(=O)N2)n1 159682999 344149998 /nfs/dbraw/zinc/14/99/98/344149998.db2.gz CJROQRGSUFCVLL-YFKPBYRVSA-N 0 0 168.221 1.013 10 0 ADAERN O[C@]1(Cc2cncs2)CCCOC1 159668593 344150004 /nfs/dbraw/zinc/15/00/04/344150004.db2.gz HBTCSHQHAJXVPY-VIFPVBQESA-N 0 0 199.275 1.227 10 0 ADAERN CCC(CC)(OC)[C@H](C)O 159670185 344150009 /nfs/dbraw/zinc/15/00/09/344150009.db2.gz ZAQDSZLTWRKDHD-ZETCQYMHSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H]1OCC[C@]1(O)Cc1cncs1 159681187 344150034 /nfs/dbraw/zinc/15/00/34/344150034.db2.gz IUZMUWZUVWVKTI-APPZFPTMSA-N 0 0 199.275 1.226 10 0 ADAERN Cc1csc([C@@H]2CNC(=O)C2)n1 159691663 344150141 /nfs/dbraw/zinc/15/01/41/344150141.db2.gz WFLNPVJUJFALOA-LURJTMIESA-N 0 0 182.248 1.055 10 0 ADAERN O=C(Cc1cncs1)[C@H]1CCOC1 159692255 344150145 /nfs/dbraw/zinc/15/01/45/344150145.db2.gz NZALKMBKGBJJRZ-ZETCQYMHSA-N 0 0 197.259 1.291 10 0 ADAERN Cc1csc([C@@H]2CC(=O)N[C@@H]2C)n1 159691805 344150194 /nfs/dbraw/zinc/15/01/94/344150194.db2.gz ZNDXNCGCVFZKCA-RNFRBKRXSA-N 0 0 196.275 1.444 10 0 ADAERN O=C(Cc1cncs1)[C@H]1CCCO1 159692018 344150232 /nfs/dbraw/zinc/15/02/32/344150232.db2.gz FIZGPMNOHZKWBC-SECBINFHSA-N 0 0 197.259 1.434 10 0 ADAERN Cc1csc([C@H]2CC(=O)N[C@@H]2C)n1 159691943 344150237 /nfs/dbraw/zinc/15/02/37/344150237.db2.gz ZNDXNCGCVFZKCA-RQJHMYQMSA-N 0 0 196.275 1.444 10 0 ADAERN CO[C@@H](C(C)=O)C(C)C 159686854 344150264 /nfs/dbraw/zinc/15/02/64/344150264.db2.gz CTGHLGMZIHKFDK-SSDOTTSWSA-N 0 0 130.187 1.246 10 0 ADAERN CC[C@@H](OC)C(C)=O 159686690 344150324 /nfs/dbraw/zinc/15/03/24/344150324.db2.gz FTNLCEAONBXWSO-ZCFIWIBFSA-N 0 0 116.160 1.000 10 0 ADAERN Cc1csc([C@H]2CNC(=O)C2)n1 159691518 344150326 /nfs/dbraw/zinc/15/03/26/344150326.db2.gz WFLNPVJUJFALOA-ZCFIWIBFSA-N 0 0 182.248 1.055 10 0 ADAERN O=C(Cc1cncs1)[C@@H]1CCCO1 159691892 344150335 /nfs/dbraw/zinc/15/03/35/344150335.db2.gz FIZGPMNOHZKWBC-VIFPVBQESA-N 0 0 197.259 1.434 10 0 ADAERN O=C(Cc1cncs1)[C@@H]1CCOC1 159692157 344150376 /nfs/dbraw/zinc/15/03/76/344150376.db2.gz NZALKMBKGBJJRZ-SSDOTTSWSA-N 0 0 197.259 1.291 10 0 ADAERN Cc1csc([C@H]2CC(=O)N[C@H]2C)n1 159692194 344150411 /nfs/dbraw/zinc/15/04/11/344150411.db2.gz ZNDXNCGCVFZKCA-BQBZGAKWSA-N 0 0 196.275 1.444 10 0 ADAERN O[C@@H]1CCC[C@H]1Cc1cncs1 159744066 344151521 /nfs/dbraw/zinc/15/15/21/344151521.db2.gz OFFNJQIZICRAGZ-IONNQARKSA-N 0 0 183.276 1.847 10 0 ADAERN O[C@@H]1CCC[C@@H]1Cc1cncs1 159744192 344151595 /nfs/dbraw/zinc/15/15/95/344151595.db2.gz OFFNJQIZICRAGZ-VXNVDRBHSA-N 0 0 183.276 1.847 10 0 ADAERN CC(C)(C)[C@H](O)c1csnn1 159743136 344151590 /nfs/dbraw/zinc/15/15/90/344151590.db2.gz KRJHVTJCBDBUAS-ZCFIWIBFSA-N 0 0 172.253 1.618 10 0 ADAERN CC(C)(C)[C@@H](O)c1csnn1 159743262 344151666 /nfs/dbraw/zinc/15/16/66/344151666.db2.gz KRJHVTJCBDBUAS-LURJTMIESA-N 0 0 172.253 1.618 10 0 ADAERN O[C@H]1CCC[C@H]1Cc1cncs1 159743804 344151677 /nfs/dbraw/zinc/15/16/77/344151677.db2.gz OFFNJQIZICRAGZ-CBAPKCEASA-N 0 0 183.276 1.847 10 0 ADAERN Cc1cnc([C@H](O)C(C)(C)C)cn1 159745676 344151690 /nfs/dbraw/zinc/15/16/90/344151690.db2.gz KNQDXUJJVANSEP-VIFPVBQESA-N 0 0 180.251 1.865 10 0 ADAERN Cc1csc(C[C@@H]2CCC(=O)N2)n1 159735875 344151787 /nfs/dbraw/zinc/15/17/87/344151787.db2.gz LQSGNVZMBPPQMN-ZETCQYMHSA-N 0 0 196.275 1.273 10 0 ADAERN Cc1csc(/C=C/[C@H](C)O)n1 159735405 344151708 /nfs/dbraw/zinc/15/17/08/344151708.db2.gz PCHQCZWSRZHROS-SDLBARTOSA-N 0 0 169.249 1.846 10 0 ADAERN O[C@@H](c1ccoc1)c1cnsn1 159765539 344151727 /nfs/dbraw/zinc/15/17/27/344151727.db2.gz QLYSHODMOFFVRK-ZETCQYMHSA-N 0 0 182.204 1.213 10 0 ADAERN CCC1(O)CN(Cc2cncs2)C1 159751627 344151730 /nfs/dbraw/zinc/15/17/30/344151730.db2.gz QDMDFIZEMSTRQG-UHFFFAOYSA-N 0 0 198.291 1.100 10 0 ADAERN Cc1csc(C[C@H]2CCC(=O)N2)n1 159736011 344151744 /nfs/dbraw/zinc/15/17/44/344151744.db2.gz LQSGNVZMBPPQMN-SSDOTTSWSA-N 0 0 196.275 1.273 10 0 ADAERN O[C@H]1CCC[C@@H]1Cc1cncs1 159743926 344151773 /nfs/dbraw/zinc/15/17/73/344151773.db2.gz OFFNJQIZICRAGZ-APPZFPTMSA-N 0 0 183.276 1.847 10 0 ADAERN CC(C)(C)[C@@H](O)c1ccnnc1 159736329 344151797 /nfs/dbraw/zinc/15/17/97/344151797.db2.gz IDAYABJOQGEBBU-QMMMGPOBSA-N 0 0 166.224 1.556 10 0 ADAERN O[C@H](c1ccoc1)c1cnsn1 159765654 344151826 /nfs/dbraw/zinc/15/18/26/344151826.db2.gz QLYSHODMOFFVRK-SSDOTTSWSA-N 0 0 182.204 1.213 10 0 ADAERN CC(C)(C)[C@H](O)c1ccnnc1 159736201 344151841 /nfs/dbraw/zinc/15/18/41/344151841.db2.gz IDAYABJOQGEBBU-MRVPVSSYSA-N 0 0 166.224 1.556 10 0 ADAERN Cc1cnc([C@@H](O)C(C)(C)C)cn1 159745809 344151856 /nfs/dbraw/zinc/15/18/56/344151856.db2.gz KNQDXUJJVANSEP-SECBINFHSA-N 0 0 180.251 1.865 10 0 ADAERN Cc1csc(/C=C/[C@@H](C)O)n1 159735257 344151884 /nfs/dbraw/zinc/15/18/84/344151884.db2.gz PCHQCZWSRZHROS-KGGZQZJCSA-N 0 0 169.249 1.846 10 0 ADAERN CC(C)CNc1ccc(N)nn1 159795244 344152037 /nfs/dbraw/zinc/15/20/37/344152037.db2.gz DDBQHJOCHGXPHM-UHFFFAOYSA-N 0 0 166.228 1.127 10 0 ADAERN CCC(=O)Nc1ncccc1N 159790177 344152044 /nfs/dbraw/zinc/15/20/44/344152044.db2.gz REKAGDDZUWSCMI-UHFFFAOYSA-N 0 0 165.196 1.012 10 0 ADAERN Cc1cnc([C@@H](O)c2ccoc2)cn1 159775882 344152049 /nfs/dbraw/zinc/15/20/49/344152049.db2.gz PUUPPBJRHRFJMP-JTQLQIEISA-N 0 0 190.202 1.460 10 0 ADAERN Oc1cc(F)cc([C@H](O)C(F)F)c1 159775213 344152054 /nfs/dbraw/zinc/15/20/54/344152054.db2.gz KPHGNEBYPWCGSP-ZETCQYMHSA-N 0 0 192.136 1.830 10 0 ADAERN Nc1ccc(NC2CCCC2)nn1 159795393 344152064 /nfs/dbraw/zinc/15/20/64/344152064.db2.gz QBEBGMWTFQYICI-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN Cc1cc([C@H](O)c2ccoc2)n(C)n1 159774951 344152072 /nfs/dbraw/zinc/15/20/72/344152072.db2.gz NBVKZEXKZKXHJZ-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN Oc1cc(F)cc([C@@H]2NCCS2)c1 159775503 344152073 /nfs/dbraw/zinc/15/20/73/344152073.db2.gz HEXSLCVRBOXVKL-SECBINFHSA-N 0 0 199.250 1.866 10 0 ADAERN Oc1cc(F)cc([C@H]2NCCS2)c1 159775637 344152105 /nfs/dbraw/zinc/15/21/05/344152105.db2.gz HEXSLCVRBOXVKL-VIFPVBQESA-N 0 0 199.250 1.866 10 0 ADAERN OC/C=C/c1cc(O)cc(F)c1 159792200 344152117 /nfs/dbraw/zinc/15/21/17/344152117.db2.gz XLFGBPZDZWMGMV-OWOJBTEDSA-N 0 0 168.167 1.537 10 0 ADAERN CC[C@@H](C)Nc1ccc(N)nn1 159794814 344152130 /nfs/dbraw/zinc/15/21/30/344152130.db2.gz VTRIBSCSVWCSMS-ZCFIWIBFSA-N 0 0 166.228 1.269 10 0 ADAERN OCCc1cc(O)cc(F)c1 159786709 344152156 /nfs/dbraw/zinc/15/21/56/344152156.db2.gz CLWJXRYXNJEPAD-UHFFFAOYSA-N 0 0 156.156 1.066 10 0 ADAERN C[C@@](O)(c1cnc(N)s1)C1CC1 159799059 344152167 /nfs/dbraw/zinc/15/21/67/344152167.db2.gz QTCTWKGSEGWJIO-QMMMGPOBSA-N 0 0 184.264 1.343 10 0 ADAERN O[C@H](c1ccoc1)c1csnn1 159773649 344152170 /nfs/dbraw/zinc/15/21/70/344152170.db2.gz IRCDYGQWJHMSJO-SSDOTTSWSA-N 0 0 182.204 1.213 10 0 ADAERN CC(C)[C@](C)(O)c1cnc(N)s1 159798784 344152177 /nfs/dbraw/zinc/15/21/77/344152177.db2.gz JSIWQTOLIIAFCC-QMMMGPOBSA-N 0 0 186.280 1.589 10 0 ADAERN Oc1cc(F)cc([C@@H](O)C(F)F)c1 159775348 344152210 /nfs/dbraw/zinc/15/22/10/344152210.db2.gz KPHGNEBYPWCGSP-SSDOTTSWSA-N 0 0 192.136 1.830 10 0 ADAERN Cc1nccn1Cc1cncs1 159779379 344152224 /nfs/dbraw/zinc/15/22/24/344152224.db2.gz VUMCLGSBXCMWEH-UHFFFAOYSA-N 0 0 179.248 1.696 10 0 ADAERN Cc1cnc([C@H](O)c2ccoc2)cn1 159775753 344152228 /nfs/dbraw/zinc/15/22/28/344152228.db2.gz PUUPPBJRHRFJMP-SNVBAGLBSA-N 0 0 190.202 1.460 10 0 ADAERN CC[C@](C)(O)c1cnc(N)s1 159798534 344152230 /nfs/dbraw/zinc/15/22/30/344152230.db2.gz DKGXMJVNTJSGPB-ZETCQYMHSA-N 0 0 172.253 1.343 10 0 ADAERN Cc1cc([C@@H](O)c2ccoc2)n(C)n1 159775077 344152231 /nfs/dbraw/zinc/15/22/31/344152231.db2.gz NBVKZEXKZKXHJZ-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN C/C(=C/c1cc(O)cc(F)c1)CO 159792485 344152245 /nfs/dbraw/zinc/15/22/45/344152245.db2.gz XONIUGSYMKBJLU-UQCOIBPSSA-N 0 0 182.194 1.927 10 0 ADAERN CC(C)[C@@H](C)Nc1ccc(N)nn1 159793470 344152277 /nfs/dbraw/zinc/15/22/77/344152277.db2.gz SDNURGYAAAPYEJ-SSDOTTSWSA-N 0 0 180.255 1.515 10 0 ADAERN C[C@](O)(c1cnc(N)s1)C1CC1 159799167 344152308 /nfs/dbraw/zinc/15/23/08/344152308.db2.gz QTCTWKGSEGWJIO-MRVPVSSYSA-N 0 0 184.264 1.343 10 0 ADAERN CC[C@H](C)Nc1ccc(N)nn1 159794950 344152320 /nfs/dbraw/zinc/15/23/20/344152320.db2.gz VTRIBSCSVWCSMS-LURJTMIESA-N 0 0 166.228 1.269 10 0 ADAERN CC(C)[C@H](C)Nc1ccc(N)nn1 159793597 344152333 /nfs/dbraw/zinc/15/23/33/344152333.db2.gz SDNURGYAAAPYEJ-ZETCQYMHSA-N 0 0 180.255 1.515 10 0 ADAERN Nc1ccc(NCC(F)(F)F)nn1 159799213 344152337 /nfs/dbraw/zinc/15/23/37/344152337.db2.gz KWKRAKVCAYPWNL-UHFFFAOYSA-N 0 0 192.144 1.033 10 0 ADAERN O[C@@H](c1ccoc1)c1csnn1 159773529 344152339 /nfs/dbraw/zinc/15/23/39/344152339.db2.gz IRCDYGQWJHMSJO-ZETCQYMHSA-N 0 0 182.204 1.213 10 0 ADAERN CC(C)[C@@](C)(O)c1cnc(N)s1 159798917 344152360 /nfs/dbraw/zinc/15/23/60/344152360.db2.gz JSIWQTOLIIAFCC-MRVPVSSYSA-N 0 0 186.280 1.589 10 0 ADAERN CC(C)C[C@H](C)Nc1ccc(N)nn1 159807415 344152601 /nfs/dbraw/zinc/15/26/01/344152601.db2.gz NLMORVFDNIXYOK-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN Nc1ncc([C@@H](O)C2CC2)s1 159818895 344152602 /nfs/dbraw/zinc/15/26/02/344152602.db2.gz SILJMAHFLBLRAT-LURJTMIESA-N 0 0 170.237 1.169 10 0 ADAERN CC[C@H](O)c1cnc(N)s1 159824826 344152625 /nfs/dbraw/zinc/15/26/25/344152625.db2.gz BQGUBCUJGXRELF-BYPYZUCNSA-N 0 0 158.226 1.169 10 0 ADAERN Nc1ccc(NCC2CCC2)nn1 159806320 344152633 /nfs/dbraw/zinc/15/26/33/344152633.db2.gz LRPWRTIJQNVJKS-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN OC[C@]1(Cc2cncs2)CCOC1 159817946 344152646 /nfs/dbraw/zinc/15/26/46/344152646.db2.gz GCHKGXMSFSFLHA-SECBINFHSA-N 0 0 199.275 1.085 10 0 ADAERN CC(C)[C@H](O)c1cnc(N)s1 159810557 344152649 /nfs/dbraw/zinc/15/26/49/344152649.db2.gz MBIRTJPFSNMCHI-LURJTMIESA-N 0 0 172.253 1.415 10 0 ADAERN CC(C)C[C@@H](O)c1cnc(N)s1 159823531 344152650 /nfs/dbraw/zinc/15/26/50/344152650.db2.gz DHLYMPWDSLWYJI-ZCFIWIBFSA-N 0 0 186.280 1.805 10 0 ADAERN CC(C)(C)CNc1ccc(N)nn1 159826556 344152667 /nfs/dbraw/zinc/15/26/67/344152667.db2.gz MFGNNZCZWSMLNE-UHFFFAOYSA-N 0 0 180.255 1.517 10 0 ADAERN OC[C@@]1(Cc2cncs2)CCOC1 159817800 344152669 /nfs/dbraw/zinc/15/26/69/344152669.db2.gz GCHKGXMSFSFLHA-VIFPVBQESA-N 0 0 199.275 1.085 10 0 ADAERN Nc1ncc([C@H](O)c2ccoc2)s1 159819469 344152670 /nfs/dbraw/zinc/15/26/70/344152670.db2.gz FIPNRQKGPLJQTH-SSDOTTSWSA-N 0 0 196.231 1.400 10 0 ADAERN Nc1ncc([C@@H](O)c2ccco2)s1 159806869 344152675 /nfs/dbraw/zinc/15/26/75/344152675.db2.gz IQGSSFJTVIWPFC-ZETCQYMHSA-N 0 0 196.231 1.400 10 0 ADAERN CC[C@@H](O)c1cnc(N)s1 159824960 344152677 /nfs/dbraw/zinc/15/26/77/344152677.db2.gz BQGUBCUJGXRELF-SCSAIBSYSA-N 0 0 158.226 1.169 10 0 ADAERN Nc1ncc([C@H](O)c2ccco2)s1 159807004 344152678 /nfs/dbraw/zinc/15/26/78/344152678.db2.gz IQGSSFJTVIWPFC-SSDOTTSWSA-N 0 0 196.231 1.400 10 0 ADAERN Nc1ncc([C@H](O)C2CC2)s1 159818804 344152681 /nfs/dbraw/zinc/15/26/81/344152681.db2.gz SILJMAHFLBLRAT-ZCFIWIBFSA-N 0 0 170.237 1.169 10 0 ADAERN C[C@H](O)CCN1CCC[C@@H](C)C1=O 159822225 344152688 /nfs/dbraw/zinc/15/26/88/344152688.db2.gz PCMDAKIVXINXSC-BDAKNGLRSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@H]1CCCN(CC[C@@H](C)O)C1=O 159822087 344152692 /nfs/dbraw/zinc/15/26/92/344152692.db2.gz PCMDAKIVXINXSC-DTWKUNHWSA-N 0 0 185.267 1.016 10 0 ADAERN C[C@H](Nc1ccc(N)nn1)C1CC1 159809709 344152707 /nfs/dbraw/zinc/15/27/07/344152707.db2.gz XKWQJRCUOQIRKP-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN Nc1ccc(NCC2CCCC2)nn1 159807532 344152709 /nfs/dbraw/zinc/15/27/09/344152709.db2.gz QHMSOCJVEOXFJA-UHFFFAOYSA-N 0 0 192.266 1.661 10 0 ADAERN CCC[C@@H](O)c1cnc(N)s1 159823258 344152710 /nfs/dbraw/zinc/15/27/10/344152710.db2.gz XTWRRRCHLPUDSB-RXMQYKEDSA-N 0 0 172.253 1.559 10 0 ADAERN Nc1ncc([C@@H](O)c2ccoc2)s1 159819344 344152718 /nfs/dbraw/zinc/15/27/18/344152718.db2.gz FIPNRQKGPLJQTH-ZETCQYMHSA-N 0 0 196.231 1.400 10 0 ADAERN C[C@@H](Nc1ccc(N)nn1)C1CC1 159809832 344152729 /nfs/dbraw/zinc/15/27/29/344152729.db2.gz XKWQJRCUOQIRKP-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN CC(C)C[C@@H](C)Nc1ccc(N)nn1 159807277 344152735 /nfs/dbraw/zinc/15/27/35/344152735.db2.gz NLMORVFDNIXYOK-MRVPVSSYSA-N 0 0 194.282 1.905 10 0 ADAERN CC(C)[C@@H](O)c1cnc(N)s1 159810671 344152737 /nfs/dbraw/zinc/15/27/37/344152737.db2.gz MBIRTJPFSNMCHI-ZCFIWIBFSA-N 0 0 172.253 1.415 10 0 ADAERN Nc1ncc([C@H](O)C2CCCC2)s1 159822045 344152751 /nfs/dbraw/zinc/15/27/51/344152751.db2.gz ANWXZQYIQDRXKJ-MRVPVSSYSA-N 0 0 198.291 1.949 10 0 ADAERN CC(C)C[C@H](O)c1cnc(N)s1 159823388 344152798 /nfs/dbraw/zinc/15/27/98/344152798.db2.gz DHLYMPWDSLWYJI-LURJTMIESA-N 0 0 186.280 1.805 10 0 ADAERN C[C@H](O)CCN1CCC[C@H](C)C1=O 159822362 344152824 /nfs/dbraw/zinc/15/28/24/344152824.db2.gz PCMDAKIVXINXSC-IUCAKERBSA-N 0 0 185.267 1.016 10 0 ADAERN Nc1ccc(NC2CCC2)nn1 159849847 344153028 /nfs/dbraw/zinc/15/30/28/344153028.db2.gz RFTDIVKQTVHHHU-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN C[C@@H]1CC[C@@](O)(c2cnc(N)s2)C1 159833906 344153069 /nfs/dbraw/zinc/15/30/69/344153069.db2.gz GCKAVSUHFGXNFK-MUWHJKNJSA-N 0 0 198.291 1.733 10 0 ADAERN Cc1cc(N)cc(NCCCO)c1 159852668 344153076 /nfs/dbraw/zinc/15/30/76/344153076.db2.gz RYNAFBDENZIVQL-UHFFFAOYSA-N 0 0 180.251 1.372 10 0 ADAERN COC(=O)CNc1cc(C)cc(N)c1 159851760 344153080 /nfs/dbraw/zinc/15/30/80/344153080.db2.gz DLSYJNOXZJHDEF-UHFFFAOYSA-N 0 0 194.234 1.162 10 0 ADAERN C[C@H]1CC[C@](O)(c2cnc(N)s2)C1 159833758 344153085 /nfs/dbraw/zinc/15/30/85/344153085.db2.gz GCKAVSUHFGXNFK-IMTBSYHQSA-N 0 0 198.291 1.733 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1ccc(N)nn1 159831474 344153092 /nfs/dbraw/zinc/15/30/92/344153092.db2.gz MVHGEDJCFQQXFO-HTQZYQBOSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@@H]1CCC[C@]1(O)c1cnc(N)s1 159838614 344153102 /nfs/dbraw/zinc/15/31/02/344153102.db2.gz XCOGOOUIPKEHEA-HZGVNTEJSA-N 0 0 198.291 1.733 10 0 ADAERN CC1(C)C[C@@H]1Nc1ccc(N)nn1 159832043 344153115 /nfs/dbraw/zinc/15/31/15/344153115.db2.gz NOANNJACVAQNFI-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN CC[C@H](C)[C@@H](C)Nc1ccc(N)nn1 159831611 344153119 /nfs/dbraw/zinc/15/31/19/344153119.db2.gz MVHGEDJCFQQXFO-JGVFFNPUSA-N 0 0 194.282 1.905 10 0 ADAERN CC[C@H](C)[C@H](C)Nc1ccc(N)nn1 159831891 344153120 /nfs/dbraw/zinc/15/31/20/344153120.db2.gz MVHGEDJCFQQXFO-YUMQZZPRSA-N 0 0 194.282 1.905 10 0 ADAERN CC[C@@H](CO)Nc1cc(C)cc(N)c1 159854821 344153124 /nfs/dbraw/zinc/15/31/24/344153124.db2.gz IPGMKPNTWSZKQK-JTQLQIEISA-N 0 0 194.278 1.760 10 0 ADAERN CC[C@@H](C)CNc1ccc(N)nn1 159846158 344153128 /nfs/dbraw/zinc/15/31/28/344153128.db2.gz CXGQHOWQSHMSIP-SSDOTTSWSA-N 0 0 180.255 1.517 10 0 ADAERN CC[C@H](C)CNc1ccc(N)nn1 159846274 344153130 /nfs/dbraw/zinc/15/31/30/344153130.db2.gz CXGQHOWQSHMSIP-ZETCQYMHSA-N 0 0 180.255 1.517 10 0 ADAERN CON(C)Cc1cc(N)cc(F)c1 159845857 344153132 /nfs/dbraw/zinc/15/31/32/344153132.db2.gz PDOOEKHCLTYKQP-UHFFFAOYSA-N 0 0 184.214 1.401 10 0 ADAERN CC1(C)C[C@H]1Nc1ccc(N)nn1 159832177 344153135 /nfs/dbraw/zinc/15/31/35/344153135.db2.gz NOANNJACVAQNFI-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN Cc1cc(N)cc(NC[C@@H](C)O)c1 159855271 344153137 /nfs/dbraw/zinc/15/31/37/344153137.db2.gz KRPBLVLWBLWFCP-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN CC[C@H](Nc1ccc(N)nn1)C(C)C 159832322 344153158 /nfs/dbraw/zinc/15/31/58/344153158.db2.gz JGSDDCPBYKQNSB-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN Nc1ncc([C@@H](O)C2CCC2)s1 159851045 344153159 /nfs/dbraw/zinc/15/31/59/344153159.db2.gz HDFLWSKZMIWQOA-ZETCQYMHSA-N 0 0 184.264 1.559 10 0 ADAERN Cc1cc(N)cc(NC[C@H](C)O)c1 159855356 344153163 /nfs/dbraw/zinc/15/31/63/344153163.db2.gz KRPBLVLWBLWFCP-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN Nc1cc(F)cc(Cn2cccn2)c1 159846196 344153171 /nfs/dbraw/zinc/15/31/71/344153171.db2.gz KJKRXGDBKFKSNJ-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN C[C@H]1CC[C@@](O)(c2cnc(N)s2)C1 159834032 344153172 /nfs/dbraw/zinc/15/31/72/344153172.db2.gz GCKAVSUHFGXNFK-RCOVLWMOSA-N 0 0 198.291 1.733 10 0 ADAERN CC1([C@](C)(O)c2cnc(N)s2)CC1 159849827 344153176 /nfs/dbraw/zinc/15/31/76/344153176.db2.gz HTTSANSRKVMEJD-SECBINFHSA-N 0 0 198.291 1.733 10 0 ADAERN CC[C@@H](Nc1ccc(N)nn1)C(C)C 159832454 344153178 /nfs/dbraw/zinc/15/31/78/344153178.db2.gz JGSDDCPBYKQNSB-MRVPVSSYSA-N 0 0 194.282 1.905 10 0 ADAERN Nc1ncc([C@H](O)C2CCC2)s1 159850932 344153186 /nfs/dbraw/zinc/15/31/86/344153186.db2.gz HDFLWSKZMIWQOA-SSDOTTSWSA-N 0 0 184.264 1.559 10 0 ADAERN CC1([C@@](C)(O)c2cnc(N)s2)CC1 159849960 344153191 /nfs/dbraw/zinc/15/31/91/344153191.db2.gz HTTSANSRKVMEJD-VIFPVBQESA-N 0 0 198.291 1.733 10 0 ADAERN C[C@@H]1CC[C@](O)(c2cnc(N)s2)C1 159833637 344153199 /nfs/dbraw/zinc/15/31/99/344153199.db2.gz GCKAVSUHFGXNFK-HZGVNTEJSA-N 0 0 198.291 1.733 10 0 ADAERN Nc1cc(F)cc(Cn2cncn2)c1 159846369 344153200 /nfs/dbraw/zinc/15/32/00/344153200.db2.gz CRUHAJNXKVEMTK-UHFFFAOYSA-N 0 0 192.197 1.048 10 0 ADAERN Nc1cc(F)cc(Cn2ccnc2)c1 159846521 344153201 /nfs/dbraw/zinc/15/32/01/344153201.db2.gz LYBXBPOASHHOTE-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN Cc1cc(N)cc(N2CC[C@H](O)C2)c1 159860931 344153438 /nfs/dbraw/zinc/15/34/38/344153438.db2.gz NZPMZIAYQKUMCG-NSHDSACASA-N 0 0 192.262 1.148 10 0 ADAERN Cc1cc(N)cc(O[C@@H]2CCOC2)c1 159866928 344153448 /nfs/dbraw/zinc/15/34/48/344153448.db2.gz WUCMHCHMRNPPPG-SNVBAGLBSA-N 0 0 193.246 1.745 10 0 ADAERN Cc1cc(N)cc(NCC[C@H](C)O)c1 159861785 344153458 /nfs/dbraw/zinc/15/34/58/344153458.db2.gz IMQALTREZNCWGR-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CCS(=O)(=O)c1cc(C)cc(N)c1 159868046 344153461 /nfs/dbraw/zinc/15/34/61/344153461.db2.gz IDNLMHKUDLRPPL-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN CCC(C)(C)Nc1ccc(N)nn1 159880492 344153468 /nfs/dbraw/zinc/15/34/68/344153468.db2.gz HNQPXPAZWGGLQH-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN Cc1cc(N)cc(N2CC[C@@H](O)C2)c1 159861068 344153494 /nfs/dbraw/zinc/15/34/94/344153494.db2.gz NZPMZIAYQKUMCG-LLVKDONJSA-N 0 0 192.262 1.148 10 0 ADAERN C[C@H](O)/C=C/c1cc(O)cc(F)c1 159860199 344153502 /nfs/dbraw/zinc/15/35/02/344153502.db2.gz HRKRLZRVTNMQRP-AIYRYJHASA-N 0 0 182.194 1.925 10 0 ADAERN Cc1cc(N)cc(N[C@H](C)CCO)c1 159863754 344153529 /nfs/dbraw/zinc/15/35/29/344153529.db2.gz VZWNTQUZYXQFNJ-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1cc(N)cc(N[C@@H](C)CCO)c1 159863622 344153538 /nfs/dbraw/zinc/15/35/38/344153538.db2.gz VZWNTQUZYXQFNJ-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN Cc1cc(N)cc(O[C@H]2CCOC2)c1 159867094 344153566 /nfs/dbraw/zinc/15/35/66/344153566.db2.gz WUCMHCHMRNPPPG-JTQLQIEISA-N 0 0 193.246 1.745 10 0 ADAERN CC(C)(C)Nc1ccc(N)nn1 159880628 344153585 /nfs/dbraw/zinc/15/35/85/344153585.db2.gz TWZRWGXRPNJBGO-UHFFFAOYSA-N 0 0 166.228 1.269 10 0 ADAERN Nc1ccc(NCCC2CC2)nn1 159871759 344153603 /nfs/dbraw/zinc/15/36/03/344153603.db2.gz RZJTZGSKCUHMGW-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN Cc1cc(N)cc(NCC[C@@H](C)O)c1 159861653 344153659 /nfs/dbraw/zinc/15/36/59/344153659.db2.gz IMQALTREZNCWGR-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN C[C@@H]1CCCN1c1ccc(N)nn1 159902453 344153927 /nfs/dbraw/zinc/15/39/27/344153927.db2.gz OFGCMBYFGNKERL-SSDOTTSWSA-N 0 0 178.239 1.048 10 0 ADAERN CC[C@@H]1CCCN1c1ccc(N)nn1 159902174 344153969 /nfs/dbraw/zinc/15/39/69/344153969.db2.gz LSMLVLPQWPDQAQ-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H]1CCCN1c1ccc(N)nn1 159902594 344153980 /nfs/dbraw/zinc/15/39/80/344153980.db2.gz OFGCMBYFGNKERL-ZETCQYMHSA-N 0 0 178.239 1.048 10 0 ADAERN CCNC(=O)c1ccc(NN)cc1C 159905682 344154045 /nfs/dbraw/zinc/15/40/45/344154045.db2.gz PDHYJECWBSRZJG-UHFFFAOYSA-N 0 0 193.250 1.030 10 0 ADAERN CN(c1ccc(N)nn1)C1CCCC1 159894121 344154080 /nfs/dbraw/zinc/15/40/80/344154080.db2.gz ASULAQFDVLQOTJ-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1ccc(N)nn1 159934561 344154379 /nfs/dbraw/zinc/15/43/79/344154379.db2.gz AJSCMSQQJVECNH-JGVFFNPUSA-N 0 0 192.266 1.151 10 0 ADAERN CN(CC1CCC1)c1ccc(N)nn1 159925967 344154398 /nfs/dbraw/zinc/15/43/98/344154398.db2.gz NOOJCLHSJMXDBU-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN OC1(C2=COCCC2)CCOCC1 159935746 344154400 /nfs/dbraw/zinc/15/44/00/344154400.db2.gz ZSVSXKHVSDTBLT-UHFFFAOYSA-N 0 0 184.235 1.222 10 0 ADAERN CC[C@](C)(OC)c1nc(C)cc(N)n1 159931751 344154435 /nfs/dbraw/zinc/15/44/35/344154435.db2.gz UHFLJGREOFMGEF-JTQLQIEISA-N 0 0 195.266 1.639 10 0 ADAERN O=c1cc[nH]n1-c1ccc(F)cc1F 159938990 344154447 /nfs/dbraw/zinc/15/44/47/344154447.db2.gz MDULZWZVWSMYCY-UHFFFAOYSA-N 0 0 196.156 1.856 10 0 ADAERN CCC(C)(C)N(C)c1ccc(N)nn1 159934280 344154472 /nfs/dbraw/zinc/15/44/72/344154472.db2.gz LWABXBLECLBJHP-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1ccc(N)nn1 159934429 344154490 /nfs/dbraw/zinc/15/44/90/344154490.db2.gz AJSCMSQQJVECNH-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN O=C(NC1(CO)CC1)c1cccs1 159914125 344154499 /nfs/dbraw/zinc/15/44/99/344154499.db2.gz OWNNXMDQYKJADM-UHFFFAOYSA-N 0 0 197.259 1.003 10 0 ADAERN COC[C@@](C)(O)C1=COCCC1 159934015 344154503 /nfs/dbraw/zinc/15/45/03/344154503.db2.gz XNAYOCQVMXSHOC-SECBINFHSA-N 0 0 172.224 1.078 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1ccc(N)nn1 159934801 344154536 /nfs/dbraw/zinc/15/45/36/344154536.db2.gz AJSCMSQQJVECNH-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN C[C@@](O)(C1=COCCC1)C1CC1 159931863 344154572 /nfs/dbraw/zinc/15/45/72/344154572.db2.gz DTPNBJYNQNWLJK-JTQLQIEISA-N 0 0 168.236 1.842 10 0 ADAERN COC[C@](C)(O)C1=COCCC1 159934146 344154604 /nfs/dbraw/zinc/15/46/04/344154604.db2.gz XNAYOCQVMXSHOC-VIFPVBQESA-N 0 0 172.224 1.078 10 0 ADAERN O=C(NC1(CO)CC1)C1CCCCC1 159916653 344154639 /nfs/dbraw/zinc/15/46/39/344154639.db2.gz AZBFVJNGOSDAGQ-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1ccc(N)nn1 159934673 344154656 /nfs/dbraw/zinc/15/46/56/344154656.db2.gz AJSCMSQQJVECNH-SFYZADRCSA-N 0 0 192.266 1.151 10 0 ADAERN CC[C@](C)(O)C1=COCCC1 159931011 344154670 /nfs/dbraw/zinc/15/46/70/344154670.db2.gz IXNSQSXDHGYGKR-VIFPVBQESA-N 0 0 156.225 1.842 10 0 ADAERN CC1(C)CCCN1c1ccc(N)nn1 159929246 344154680 /nfs/dbraw/zinc/15/46/80/344154680.db2.gz KPZKDMGKASLSEQ-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN CC[C@@](C)(OC)c1nc(C)cc(N)n1 159931904 344154684 /nfs/dbraw/zinc/15/46/84/344154684.db2.gz UHFLJGREOFMGEF-SNVBAGLBSA-N 0 0 195.266 1.639 10 0 ADAERN CC[C@@](C)(O)C1=COCCC1 159931158 344154705 /nfs/dbraw/zinc/15/47/05/344154705.db2.gz IXNSQSXDHGYGKR-SECBINFHSA-N 0 0 156.225 1.842 10 0 ADAERN C[C@](O)(C1=COCCC1)C1CC1 159931731 344154723 /nfs/dbraw/zinc/15/47/23/344154723.db2.gz DTPNBJYNQNWLJK-SNVBAGLBSA-N 0 0 168.236 1.842 10 0 ADAERN O=c1cc[nH]n1Cc1cccc(F)c1 159946568 344154880 /nfs/dbraw/zinc/15/48/80/344154880.db2.gz HPUXNZRNIPYDQZ-UHFFFAOYSA-N 0 0 192.193 1.544 10 0 ADAERN COC[C@]1(C)CCC(=O)C1 159951686 344154888 /nfs/dbraw/zinc/15/48/88/344154888.db2.gz QWZRJRWJZYTUFJ-MRVPVSSYSA-N 0 0 142.198 1.392 10 0 ADAERN O[C@H](C1=COCCC1)[C@@H]1CCOC1 159950900 344154891 /nfs/dbraw/zinc/15/48/91/344154891.db2.gz KAXCMWMRSIJWRQ-NXEZZACHSA-N 0 0 184.235 1.078 10 0 ADAERN O[C@H](C1=COCCC1)[C@H]1CCOC1 159951163 344154897 /nfs/dbraw/zinc/15/48/97/344154897.db2.gz KAXCMWMRSIJWRQ-VHSXEESVSA-N 0 0 184.235 1.078 10 0 ADAERN O[C@H](C1=COCCC1)C1CCOCC1 159955949 344154903 /nfs/dbraw/zinc/15/49/03/344154903.db2.gz LZYYHLZDWGPCNK-NSHDSACASA-N 0 0 198.262 1.468 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@@H]1CCSC1 159947099 344154920 /nfs/dbraw/zinc/15/49/20/344154920.db2.gz ONZFTCZLMBGVRA-SFYZADRCSA-N 0 0 198.291 1.207 10 0 ADAERN CC[C@](C)(OC)C(C)=O 159946374 344154924 /nfs/dbraw/zinc/15/49/24/344154924.db2.gz HRPJCMWUBPNUGZ-ZETCQYMHSA-N 0 0 130.187 1.391 10 0 ADAERN C[C@@H]1CN(c2ccc(N)nn2)C[C@@H]1C 159940529 344154935 /nfs/dbraw/zinc/15/49/35/344154935.db2.gz OYIMLISXCXEEMV-OCAPTIKFSA-N 0 0 192.266 1.151 10 0 ADAERN Cn1ccnc1[C@H](O)[C@H]1CCSC1 159947221 344154951 /nfs/dbraw/zinc/15/49/51/344154951.db2.gz ONZFTCZLMBGVRA-JGVFFNPUSA-N 0 0 198.291 1.207 10 0 ADAERN Cn1ccnc1[C@H](O)[C@@H]1CCSC1 159946982 344154956 /nfs/dbraw/zinc/15/49/56/344154956.db2.gz ONZFTCZLMBGVRA-HTQZYQBOSA-N 0 0 198.291 1.207 10 0 ADAERN COC[C@@]1(C)CCC(=O)C1 159951547 344154966 /nfs/dbraw/zinc/15/49/66/344154966.db2.gz QWZRJRWJZYTUFJ-QMMMGPOBSA-N 0 0 142.198 1.392 10 0 ADAERN O=c1cc[nH]n1Cc1ccc(F)cc1 159946277 344154974 /nfs/dbraw/zinc/15/49/74/344154974.db2.gz SFUBUVDSYGRREE-UHFFFAOYSA-N 0 0 192.193 1.544 10 0 ADAERN O[C@@H](C1=COCCC1)[C@H]1CCOC1 159951027 344154980 /nfs/dbraw/zinc/15/49/80/344154980.db2.gz KAXCMWMRSIJWRQ-UWVGGRQHSA-N 0 0 184.235 1.078 10 0 ADAERN CC(C)[C@@H](O)C1=COCCC1 159944602 344154985 /nfs/dbraw/zinc/15/49/85/344154985.db2.gz BYPTZQXSGZQIRG-SECBINFHSA-N 0 0 156.225 1.698 10 0 ADAERN CC[C@@](C)(OC)C(C)=O 159946494 344154996 /nfs/dbraw/zinc/15/49/96/344154996.db2.gz HRPJCMWUBPNUGZ-SSDOTTSWSA-N 0 0 130.187 1.391 10 0 ADAERN C[C@H]1CN(c2ccc(N)nn2)C[C@@H]1C 159940668 344155001 /nfs/dbraw/zinc/15/50/01/344155001.db2.gz OYIMLISXCXEEMV-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN CO[C@H](C)[C@H](C)C(C)=O 159950214 344155011 /nfs/dbraw/zinc/15/50/11/344155011.db2.gz ULLQJCPMKDOMMQ-IYSWYEEDSA-N 0 0 130.187 1.246 10 0 ADAERN CO[C@@H](C)[C@@H](C)C(C)=O 159950650 344155027 /nfs/dbraw/zinc/15/50/27/344155027.db2.gz ULLQJCPMKDOMMQ-FSPLSTOPSA-N 0 0 130.187 1.246 10 0 ADAERN Cc1cccc(Cn2[nH]ccc2=O)c1 159945915 344155052 /nfs/dbraw/zinc/15/50/52/344155052.db2.gz BYYUUYGMIUJTTR-UHFFFAOYSA-N 0 0 188.230 1.713 10 0 ADAERN O[C@@H](C1=COCCC1)c1ccccn1 159943260 344155063 /nfs/dbraw/zinc/15/50/63/344155063.db2.gz LXYPFAQVICGRJN-NSHDSACASA-N 0 0 191.230 1.809 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@H]1CCSC1 159947331 344155079 /nfs/dbraw/zinc/15/50/79/344155079.db2.gz ONZFTCZLMBGVRA-YUMQZZPRSA-N 0 0 198.291 1.207 10 0 ADAERN O[C@@H](C1=COCCC1)[C@@H]1CCOC1 159950758 344155096 /nfs/dbraw/zinc/15/50/96/344155096.db2.gz KAXCMWMRSIJWRQ-ZJUUUORDSA-N 0 0 184.235 1.078 10 0 ADAERN O[C@H](C1=COCCC1)c1cccnc1 159942835 344155098 /nfs/dbraw/zinc/15/50/98/344155098.db2.gz SYJFIHHWEPRLHC-NSHDSACASA-N 0 0 191.230 1.809 10 0 ADAERN O=C(c1ccoc1)c1cnsn1 159954622 344155100 /nfs/dbraw/zinc/15/51/00/344155100.db2.gz WMHCCVHWVDMQOG-UHFFFAOYSA-N 0 0 180.188 1.362 10 0 ADAERN O[C@H](C1=COCCC1)c1ccccn1 159943118 344155103 /nfs/dbraw/zinc/15/51/03/344155103.db2.gz LXYPFAQVICGRJN-LLVKDONJSA-N 0 0 191.230 1.809 10 0 ADAERN CC(C)[C@H](O)C1=COCCC1 159944482 344155111 /nfs/dbraw/zinc/15/51/11/344155111.db2.gz BYPTZQXSGZQIRG-VIFPVBQESA-N 0 0 156.225 1.698 10 0 ADAERN C[C@@H]1CN(c2ccc(N)nn2)C[C@H]1C 159940793 344155127 /nfs/dbraw/zinc/15/51/27/344155127.db2.gz OYIMLISXCXEEMV-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN CO[C@@H](C)[C@H](C)C(C)=O 159950500 344155134 /nfs/dbraw/zinc/15/51/34/344155134.db2.gz ULLQJCPMKDOMMQ-VDTYLAMSSA-N 0 0 130.187 1.246 10 0 ADAERN O[C@@H](C1=COCCC1)C1CCOCC1 159955808 344155136 /nfs/dbraw/zinc/15/51/36/344155136.db2.gz LZYYHLZDWGPCNK-LLVKDONJSA-N 0 0 198.262 1.468 10 0 ADAERN O[C@@H](c1cnccn1)[C@H]1CCSC1 159972385 344155361 /nfs/dbraw/zinc/15/53/61/344155361.db2.gz SRTJNNLUXAWSKU-IONNQARKSA-N 0 0 196.275 1.263 10 0 ADAERN O[C@H](C1=COCCC1)c1ccncn1 159962122 344155397 /nfs/dbraw/zinc/15/53/97/344155397.db2.gz GJCLZQIXJMZZRN-SNVBAGLBSA-N 0 0 192.218 1.204 10 0 ADAERN O=C1CCC(O)(CC2CC2)CC1 159962347 344155414 /nfs/dbraw/zinc/15/54/14/344155414.db2.gz LVIZOERZEXBTOI-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN CC[C@@H](O)C1=COCCC1 159958684 344155427 /nfs/dbraw/zinc/15/54/27/344155427.db2.gz ZXJJYVPIYUIKLS-MRVPVSSYSA-N 0 0 142.198 1.452 10 0 ADAERN C[C@@H](Nc1ccc(N)nn1)C(C)(C)C 159966812 344155435 /nfs/dbraw/zinc/15/54/35/344155435.db2.gz PDLVTFPPRSRGEC-SSDOTTSWSA-N 0 0 194.282 1.905 10 0 ADAERN O[C@H](C1=COCCC1)[C@@H]1CCCOC1 159956210 344155458 /nfs/dbraw/zinc/15/54/58/344155458.db2.gz BCFQBVJCBJIODC-GHMZBOCLSA-N 0 0 198.262 1.468 10 0 ADAERN O=C(c1ccoc1)c1csnn1 159969995 344155463 /nfs/dbraw/zinc/15/54/63/344155463.db2.gz GGPXUNNCUDZGQO-UHFFFAOYSA-N 0 0 180.188 1.362 10 0 ADAERN O=C(c1ccoc1)c1cnns1 159956869 344155465 /nfs/dbraw/zinc/15/54/65/344155465.db2.gz LXZIQBLTLPIXFI-UHFFFAOYSA-N 0 0 180.188 1.362 10 0 ADAERN O[C@H](c1cnccn1)[C@H]1CCSC1 159972523 344155471 /nfs/dbraw/zinc/15/54/71/344155471.db2.gz SRTJNNLUXAWSKU-CBAPKCEASA-N 0 0 196.275 1.263 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccc(N)nn1 159967212 344155476 /nfs/dbraw/zinc/15/54/76/344155476.db2.gz CJVJVQFABIBFSP-RQJHMYQMSA-N 0 0 178.239 1.127 10 0 ADAERN O[C@@H](C1=COCCC1)c1ccncn1 159962256 344155478 /nfs/dbraw/zinc/15/54/78/344155478.db2.gz GJCLZQIXJMZZRN-JTQLQIEISA-N 0 0 192.218 1.204 10 0 ADAERN Nc1ccc(NC2CC=CC2)nn1 159969908 344155479 /nfs/dbraw/zinc/15/54/79/344155479.db2.gz DODZJULTFQMPEY-UHFFFAOYSA-N 0 0 176.223 1.189 10 0 ADAERN O[C@@H](C1=COCCC1)[C@H]1CCCOC1 159956384 344155501 /nfs/dbraw/zinc/15/55/01/344155501.db2.gz BCFQBVJCBJIODC-QWRGUYRKSA-N 0 0 198.262 1.468 10 0 ADAERN O=C(c1ccnnc1)c1ccoc1 159961385 344155504 /nfs/dbraw/zinc/15/55/04/344155504.db2.gz HKJMXEHPBNUYFP-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN O[C@@H](C1=COCCC1)[C@@H]1CCCOC1 159956513 344155506 /nfs/dbraw/zinc/15/55/06/344155506.db2.gz BCFQBVJCBJIODC-MNOVXSKESA-N 0 0 198.262 1.468 10 0 ADAERN C[C@@H](CNc1ccc(N)nn1)C1CC1 159969641 344155508 /nfs/dbraw/zinc/15/55/08/344155508.db2.gz ILLIBBKXYPSWGC-ZETCQYMHSA-N 0 0 192.266 1.517 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccc(N)nn1 159967073 344155514 /nfs/dbraw/zinc/15/55/14/344155514.db2.gz CJVJVQFABIBFSP-NKWVEPMBSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccc(N)nn1 159966957 344155516 /nfs/dbraw/zinc/15/55/16/344155516.db2.gz CJVJVQFABIBFSP-RNFRBKRXSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccc(N)nn1 159967337 344155528 /nfs/dbraw/zinc/15/55/28/344155528.db2.gz CJVJVQFABIBFSP-BQBZGAKWSA-N 0 0 178.239 1.127 10 0 ADAERN O[C@H](c1cnccn1)[C@@H]1CCSC1 159972251 344155596 /nfs/dbraw/zinc/15/55/96/344155596.db2.gz SRTJNNLUXAWSKU-APPZFPTMSA-N 0 0 196.275 1.263 10 0 ADAERN Nc1ccc(NCCC2CCC2)nn1 159971300 344155607 /nfs/dbraw/zinc/15/56/07/344155607.db2.gz RLUWDIREHBXQSF-UHFFFAOYSA-N 0 0 192.266 1.661 10 0 ADAERN CC[C@H](O)C1=COCCC1 159958554 344155644 /nfs/dbraw/zinc/15/56/44/344155644.db2.gz ZXJJYVPIYUIKLS-QMMMGPOBSA-N 0 0 142.198 1.452 10 0 ADAERN OC[C@H]1C[C@H]1c1nccs1 161846270 344199395 /nfs/dbraw/zinc/19/93/95/344199395.db2.gz QFGBBHHNGVTCGD-PHDIDXHHSA-N 0 0 155.222 1.239 10 0 ADAERN CC(C)(C)CCNc1ccc(N)nn1 159983342 344155903 /nfs/dbraw/zinc/15/59/03/344155903.db2.gz SYIONICNYQQILT-UHFFFAOYSA-N 0 0 194.282 1.907 10 0 ADAERN CCC1(Nc2ccc(N)nn2)CCC1 159975258 344155905 /nfs/dbraw/zinc/15/59/05/344155905.db2.gz XXGIJGUNRKNMQL-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN O=C(c1ccnnc1)c1ccco1 159979397 344155966 /nfs/dbraw/zinc/15/59/66/344155966.db2.gz JZYULELASVQNIR-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN O[C@@]1(C2=COCCC2)CCSC1 159982408 344156011 /nfs/dbraw/zinc/15/60/11/344156011.db2.gz BNDYNDJLIXKPHL-VIFPVBQESA-N 0 0 186.276 1.549 10 0 ADAERN O=C(c1ccco1)c1cnns1 159976105 344156040 /nfs/dbraw/zinc/15/60/40/344156040.db2.gz KEBSHXRTQGPAGH-UHFFFAOYSA-N 0 0 180.188 1.362 10 0 ADAERN CN(c1ccc(N)nn1)C1CCC1 159982759 344156087 /nfs/dbraw/zinc/15/60/87/344156087.db2.gz DVZMIQVODQIITA-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN CC(C)(C)Oc1ccc(N)nn1 159988756 344156104 /nfs/dbraw/zinc/15/61/04/344156104.db2.gz QPRFQKXMTGJEJC-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN C[C@@H](Nc1ccc(N)nn1)C1CCC1 159981482 344156109 /nfs/dbraw/zinc/15/61/09/344156109.db2.gz BYEOYKGAIQQVHD-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN CCC(C)(C)Oc1ccc(N)nn1 159989324 344156154 /nfs/dbraw/zinc/15/61/54/344156154.db2.gz PWPHBYXCHAIRIE-UHFFFAOYSA-N 0 0 181.239 1.626 10 0 ADAERN O[C@]1(C2=COCCC2)CCCOCC1 159973893 344156161 /nfs/dbraw/zinc/15/61/61/344156161.db2.gz MWXPMNOYRHQHBX-LLVKDONJSA-N 0 0 198.262 1.612 10 0 ADAERN O[C@H](C1=COCCC1)C1CCC1 159985616 344156169 /nfs/dbraw/zinc/15/61/69/344156169.db2.gz IABBBOVENSJVII-JTQLQIEISA-N 0 0 168.236 1.842 10 0 ADAERN C[C@H]1OCC[C@@]1(O)C1=COCCC1 159998882 344156416 /nfs/dbraw/zinc/15/64/16/344156416.db2.gz FGBMLBNEODNCEK-SCZZXKLOSA-N 0 0 184.235 1.221 10 0 ADAERN C[C@@H]1OCC[C@]1(O)C1=COCCC1 159999268 344156434 /nfs/dbraw/zinc/15/64/34/344156434.db2.gz FGBMLBNEODNCEK-WCBMZHEXSA-N 0 0 184.235 1.221 10 0 ADAERN CC[C@@H](C)Oc1ccc(N)nn1 159998216 344156451 /nfs/dbraw/zinc/15/64/51/344156451.db2.gz OKIDLURFFLQPTD-ZCFIWIBFSA-N 0 0 167.212 1.236 10 0 ADAERN CC(C)(C)Sc1ccc(N)nn1 160015954 344156470 /nfs/dbraw/zinc/15/64/70/344156470.db2.gz YPYFBKRBQANQBK-UHFFFAOYSA-N 0 0 183.280 1.949 10 0 ADAERN C[C@H]1OCC[C@]1(O)C1=COCCC1 159999148 344156572 /nfs/dbraw/zinc/15/65/72/344156572.db2.gz FGBMLBNEODNCEK-PSASIEDQSA-N 0 0 184.235 1.221 10 0 ADAERN Nc1ccc(Oc2cccnc2)nn1 159995985 344156601 /nfs/dbraw/zinc/15/66/01/344156601.db2.gz FCVPFNGNVGHAKN-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN CC[C@H](C)Oc1ccc(N)nn1 159998346 344156625 /nfs/dbraw/zinc/15/66/25/344156625.db2.gz OKIDLURFFLQPTD-LURJTMIESA-N 0 0 167.212 1.236 10 0 ADAERN O[C@H](C1=COCCC1)[C@@H]1CCCO1 159999501 344156677 /nfs/dbraw/zinc/15/66/77/344156677.db2.gz IEXMQQGGPNYSOI-VHSXEESVSA-N 0 0 184.235 1.221 10 0 ADAERN O=C(c1csnn1)C1CCOCC1 159999324 344156774 /nfs/dbraw/zinc/15/67/74/344156774.db2.gz QTPMJRSSZYMHAQ-UHFFFAOYSA-N 0 0 198.247 1.147 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)C1=COCCC1 159999024 344156803 /nfs/dbraw/zinc/15/68/03/344156803.db2.gz FGBMLBNEODNCEK-WPRPVWTQSA-N 0 0 184.235 1.221 10 0 ADAERN O[C@H](C1=COCCC1)[C@H]1CCCO1 159999380 344156842 /nfs/dbraw/zinc/15/68/42/344156842.db2.gz IEXMQQGGPNYSOI-NXEZZACHSA-N 0 0 184.235 1.221 10 0 ADAERN Cc1nc(C(=O)[C@@H]2CCOC2)cs1 160027663 344156990 /nfs/dbraw/zinc/15/69/90/344156990.db2.gz CQETVHBBUDAXGQ-SSDOTTSWSA-N 0 0 197.259 1.671 10 0 ADAERN Cc1ncsc1C(=O)[C@H]1CCOC1 160030541 344157091 /nfs/dbraw/zinc/15/70/91/344157091.db2.gz HPKHVGHUFMVZDK-ZETCQYMHSA-N 0 0 197.259 1.671 10 0 ADAERN CCOCc1nc(Cl)cc(=O)[nH]1 160033794 344157140 /nfs/dbraw/zinc/15/71/40/344157140.db2.gz GZGSLPQCTJOJQY-UHFFFAOYSA-N 0 0 188.614 1.372 10 0 ADAERN Cc1ncsc1C(=O)[C@@H]1CCOC1 160030414 344157396 /nfs/dbraw/zinc/15/73/96/344157396.db2.gz HPKHVGHUFMVZDK-SSDOTTSWSA-N 0 0 197.259 1.671 10 0 ADAERN Cc1nc(C(=O)[C@H]2CCOC2)cs1 160027788 344157402 /nfs/dbraw/zinc/15/74/02/344157402.db2.gz CQETVHBBUDAXGQ-ZETCQYMHSA-N 0 0 197.259 1.671 10 0 ADAERN N[C@@H](c1csnn1)c1cccs1 160051189 344157582 /nfs/dbraw/zinc/15/75/82/344157582.db2.gz BZCRFCGLKKPKIM-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@H](c1csnn1)c1cccs1 160051058 344157587 /nfs/dbraw/zinc/15/75/87/344157587.db2.gz BZCRFCGLKKPKIM-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@@H](C1=COCCC1)c1ncccn1 160045036 344157602 /nfs/dbraw/zinc/15/76/02/344157602.db2.gz KPKNSVZMABCMMF-VIFPVBQESA-N 0 0 191.234 1.171 10 0 ADAERN N[C@H](C1=COCCC1)c1ncccn1 160044945 344157699 /nfs/dbraw/zinc/15/76/99/344157699.db2.gz KPKNSVZMABCMMF-SECBINFHSA-N 0 0 191.234 1.171 10 0 ADAERN N[C@@H](c1cnsn1)c1cccs1 160084824 344158136 /nfs/dbraw/zinc/15/81/36/344158136.db2.gz SDMQZEPKZGUTLB-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@@H](c1cccs1)c1cnns1 160091940 344158156 /nfs/dbraw/zinc/15/81/56/344158156.db2.gz SVJMLNSDPYKFHA-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN Cn1nccc1C(=O)[C@H]1CCSC1 160080281 344158226 /nfs/dbraw/zinc/15/82/26/344158226.db2.gz KZSPVARXWKBXJB-ZETCQYMHSA-N 0 0 196.275 1.356 10 0 ADAERN O=c1[nH]cnc2c(F)ccc(Cl)c12 160088813 344158229 /nfs/dbraw/zinc/15/82/29/344158229.db2.gz MPIPPNLMZROINB-UHFFFAOYSA-N 0 0 198.584 1.716 10 0 ADAERN Cn1nccc1C(=O)[C@@H]1CCSC1 160080148 344158230 /nfs/dbraw/zinc/15/82/30/344158230.db2.gz KZSPVARXWKBXJB-SSDOTTSWSA-N 0 0 196.275 1.356 10 0 ADAERN N[C@H](c1cccs1)c1cnns1 160092061 344158293 /nfs/dbraw/zinc/15/82/93/344158293.db2.gz SVJMLNSDPYKFHA-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN Fc1cncc(C2N=NC(=S)N2)c1 160139484 344158527 /nfs/dbraw/zinc/15/85/27/344158527.db2.gz OYYWHUXTJHXOSM-UHFFFAOYSA-N 0 0 196.210 1.295 10 0 ADAERN Cn1nccc1[C@H](O)CC1CCC1 160138243 344158568 /nfs/dbraw/zinc/15/85/68/344158568.db2.gz DUMWKKMRVOMCET-SNVBAGLBSA-N 0 0 180.251 1.644 10 0 ADAERN O[C@H](CC1CCC1)c1csnn1 160138794 344158572 /nfs/dbraw/zinc/15/85/72/344158572.db2.gz DWSNRCHNUZHXNE-MRVPVSSYSA-N 0 0 184.264 1.762 10 0 ADAERN Cn1ccnc1C(=O)[C@@H]1CCSC1 160153007 344158626 /nfs/dbraw/zinc/15/86/26/344158626.db2.gz XIIAQSPYLCEGMQ-SSDOTTSWSA-N 0 0 196.275 1.356 10 0 ADAERN CC1(C)CC[C@H](N2CC(=O)CC2=O)C1 160174725 344159123 /nfs/dbraw/zinc/15/91/23/344159123.db2.gz RWCHLNNIBNTVRW-QMMMGPOBSA-N 0 0 195.262 1.367 10 0 ADAERN COc1cc(N)ccc1-c1nnco1 160108643 344158673 /nfs/dbraw/zinc/15/86/73/344158673.db2.gz NIQGAHPTSZBLQF-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN Cn1nccc1[C@@H](O)CC1CCC1 160138404 344158679 /nfs/dbraw/zinc/15/86/79/344158679.db2.gz DUMWKKMRVOMCET-JTQLQIEISA-N 0 0 180.251 1.644 10 0 ADAERN Cn1ccnc1C(=O)[C@H]1CCSC1 160153139 344158703 /nfs/dbraw/zinc/15/87/03/344158703.db2.gz XIIAQSPYLCEGMQ-ZETCQYMHSA-N 0 0 196.275 1.356 10 0 ADAERN Fc1cncc(C2N=NC(=S)O2)c1 160137027 344158718 /nfs/dbraw/zinc/15/87/18/344158718.db2.gz IJLVKOXWBBIPGQ-UHFFFAOYSA-N 0 0 197.194 1.559 10 0 ADAERN CO[C@@H](C)C(=O)N1CC=C(C)CC1 160174455 344159176 /nfs/dbraw/zinc/15/91/76/344159176.db2.gz HXYWARDNIQNOKR-VIFPVBQESA-N 0 0 254.311 0.300 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1cncc(F)c1 160154781 344159094 /nfs/dbraw/zinc/15/90/94/344159094.db2.gz JQKLOPNXKLNJAB-MUWHJKNJSA-N 0 0 167.183 1.448 10 0 ADAERN CO[C@H](C)C(=O)N1CC=C(C)CC1 160174362 344159027 /nfs/dbraw/zinc/15/90/27/344159027.db2.gz HXYWARDNIQNOKR-SECBINFHSA-N 0 0 183.251 1.200 10 0 ADAERN C[C@H]1C[C@@]1(O)c1cncc(F)c1 160154907 344159092 /nfs/dbraw/zinc/15/90/92/344159092.db2.gz JQKLOPNXKLNJAB-RCOVLWMOSA-N 0 0 167.183 1.448 10 0 ADAERN O=C(c1cnccn1)[C@@H]1CCSC1 160165627 344159113 /nfs/dbraw/zinc/15/91/13/344159113.db2.gz SNLYFPQBTHYVMZ-SSDOTTSWSA-N 0 0 194.259 1.412 10 0 ADAERN C[C@H]1C[C@]1(O)c1cncc(F)c1 160154650 344159139 /nfs/dbraw/zinc/15/91/39/344159139.db2.gz JQKLOPNXKLNJAB-IMTBSYHQSA-N 0 0 167.183 1.448 10 0 ADAERN CCOc1ccc[nH]c1=S 160175743 344159166 /nfs/dbraw/zinc/15/91/66/344159166.db2.gz JSNVHAPRXREHDP-UHFFFAOYSA-N 0 0 155.222 1.769 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cncc(F)c1 160155039 344159170 /nfs/dbraw/zinc/15/91/70/344159170.db2.gz ZQPXJELGBOXGTB-GMSGAONNSA-N 0 0 181.210 1.838 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1cncc(F)c1 160155449 344159172 /nfs/dbraw/zinc/15/91/72/344159172.db2.gz ZQPXJELGBOXGTB-XVKPBYJWSA-N 0 0 181.210 1.838 10 0 ADAERN CCc1nc2cccc(C)c2c(=O)[nH]1 160189289 344159175 /nfs/dbraw/zinc/15/91/75/344159175.db2.gz HXYYAXAKFZNAFO-UHFFFAOYSA-N 0 0 353.890 3.327 10 0 ADAERN O=C(c1cnccn1)[C@H]1CCSC1 160165735 344159230 /nfs/dbraw/zinc/15/92/30/344159230.db2.gz SNLYFPQBTHYVMZ-ZETCQYMHSA-N 0 0 194.259 1.412 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cncc(F)c1 160155158 344159238 /nfs/dbraw/zinc/15/92/38/344159238.db2.gz ZQPXJELGBOXGTB-OIBJUYFYSA-N 0 0 181.210 1.838 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1ccnn1C 160228604 344160396 /nfs/dbraw/zinc/16/03/96/344160396.db2.gz FZSNMEBPEQWKRU-JGVFFNPUSA-N 0 0 164.208 1.113 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1ccnn1C 160228336 344160404 /nfs/dbraw/zinc/16/04/04/344160404.db2.gz FZSNMEBPEQWKRU-YUMQZZPRSA-N 0 0 164.208 1.113 10 0 ADAERN CCc1nn(C)cc1[C@H]1C[C@H]1C(C)=O 160243171 344160414 /nfs/dbraw/zinc/16/04/14/344160414.db2.gz HXFARSDQNQJTIJ-IUCAKERBSA-N 0 0 192.262 1.675 10 0 ADAERN CC/C(=C\c1ccnn1C)CO 160238771 344160435 /nfs/dbraw/zinc/16/04/35/344160435.db2.gz BZXCFGYRHBCEJW-SOFGYWHQSA-N 0 0 166.224 1.206 10 0 ADAERN CCc1nn(C)cc1[C@H]1C[C@@H]1C(C)=O 160242900 344160516 /nfs/dbraw/zinc/16/05/16/344160516.db2.gz HXFARSDQNQJTIJ-BDAKNGLRSA-N 0 0 192.262 1.675 10 0 ADAERN CC(C)=C[C@@H](O)c1ccnn1C 160233853 344160554 /nfs/dbraw/zinc/16/05/54/344160554.db2.gz NFURQUMIJOIZJC-SECBINFHSA-N 0 0 166.224 1.420 10 0 ADAERN CCc1nn(C)cc1[C@@H]1C[C@@H]1C(C)=O 160242773 344160559 /nfs/dbraw/zinc/16/05/59/344160559.db2.gz HXFARSDQNQJTIJ-RKDXNWHRSA-N 0 0 192.262 1.675 10 0 ADAERN CCc1nn(C)cc1[C@@H]1C[C@H]1C(C)=O 160243027 344160630 /nfs/dbraw/zinc/16/06/30/344160630.db2.gz HXFARSDQNQJTIJ-DTWKUNHWSA-N 0 0 192.262 1.675 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)NC1CCCC1 160252633 344160999 /nfs/dbraw/zinc/16/09/99/344160999.db2.gz DIOHAFLKBRFGLT-PSASIEDQSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)CNC(=O)[C@H]1OCC[C@H]1C 160251879 344161018 /nfs/dbraw/zinc/16/10/18/344161018.db2.gz APRADXMDHSAYJM-BDAKNGLRSA-N 0 0 185.267 1.184 10 0 ADAERN CCc1nn(C)cc1[C@H](O)C(C)C 160246642 344161024 /nfs/dbraw/zinc/16/10/24/344161024.db2.gz JAQWQTXAEILTDL-SNVBAGLBSA-N 0 0 182.267 1.672 10 0 ADAERN CC(C)CNC(=O)[C@H]1OCC[C@@H]1C 160251984 344161043 /nfs/dbraw/zinc/16/10/43/344161043.db2.gz APRADXMDHSAYJM-IUCAKERBSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)NC1CCCC1 160252353 344161054 /nfs/dbraw/zinc/16/10/54/344161054.db2.gz DIOHAFLKBRFGLT-SCZZXKLOSA-N 0 0 197.278 1.470 10 0 ADAERN CCn1nccc1[C@@H]1NCCS1 160253722 344161089 /nfs/dbraw/zinc/16/10/89/344161089.db2.gz ZTXXXGLNIKQYFU-MRVPVSSYSA-N 0 0 183.280 1.238 10 0 ADAERN CCc1nn(C)cc1[C@H](O)C=C(C)C 160257492 344161106 /nfs/dbraw/zinc/16/11/06/344161106.db2.gz ISNUOGFCNCGVPP-LLVKDONJSA-N 0 0 194.278 1.982 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)NC1CCCC1 160252766 344161161 /nfs/dbraw/zinc/16/11/61/344161161.db2.gz DIOHAFLKBRFGLT-WCBMZHEXSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)N1CCCCC1 160260799 344161192 /nfs/dbraw/zinc/16/11/92/344161192.db2.gz DWYQGCNVDGEPQE-ZJUUUORDSA-N 0 0 197.278 1.424 10 0 ADAERN CC(C)CNC(=O)[C@@H]1OCC[C@@H]1C 160252211 344161218 /nfs/dbraw/zinc/16/12/18/344161218.db2.gz APRADXMDHSAYJM-DTWKUNHWSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)CNC(=O)[C@@H]1OCC[C@H]1C 160252099 344161232 /nfs/dbraw/zinc/16/12/32/344161232.db2.gz APRADXMDHSAYJM-RKDXNWHRSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)NC1CCCC1 160252484 344161236 /nfs/dbraw/zinc/16/12/36/344161236.db2.gz DIOHAFLKBRFGLT-WPRPVWTQSA-N 0 0 197.278 1.470 10 0 ADAERN CCc1nn(C)cc1[C@@H](O)C=C(C)C 160257632 344161246 /nfs/dbraw/zinc/16/12/46/344161246.db2.gz ISNUOGFCNCGVPP-NSHDSACASA-N 0 0 194.278 1.982 10 0 ADAERN O[C@H](c1ccsc1)c1cnsn1 160282594 344161304 /nfs/dbraw/zinc/16/13/04/344161304.db2.gz ADIPRAVURJJHEO-SSDOTTSWSA-N 0 0 198.272 1.681 10 0 ADAERN Cc1ccc(Cl)c2[nH][nH]c(=O)c12 160274474 344161485 /nfs/dbraw/zinc/16/14/85/344161485.db2.gz XXQPXFUFTWJAEB-UHFFFAOYSA-N 0 0 182.610 1.818 10 0 ADAERN O[C@@H](c1ccsc1)c1cnsn1 160282473 344161662 /nfs/dbraw/zinc/16/16/62/344161662.db2.gz ADIPRAVURJJHEO-ZETCQYMHSA-N 0 0 198.272 1.681 10 0 ADAERN O=c1[nH][nH]c2cc(F)c(F)cc12 160266275 344161691 /nfs/dbraw/zinc/16/16/91/344161691.db2.gz UHVSGOJWGVPVIE-UHFFFAOYSA-N 0 0 170.118 1.134 10 0 ADAERN CCc1nc2cc(N)ccc2c(=O)[nH]1 160277390 344161701 /nfs/dbraw/zinc/16/17/01/344161701.db2.gz QJSSPIAIPMEJEP-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN CC(C)OC(=O)[C@@H]1OCC[C@@H]1C 160292202 344162037 /nfs/dbraw/zinc/16/20/37/344162037.db2.gz VSANPPQNRCXAIT-JGVFFNPUSA-N 0 0 172.224 1.363 10 0 ADAERN CC(C)OC(=O)[C@H]1OCC[C@H]1C 160291760 344162071 /nfs/dbraw/zinc/16/20/71/344162071.db2.gz VSANPPQNRCXAIT-SFYZADRCSA-N 0 0 172.224 1.363 10 0 ADAERN CC(C)OC(=O)[C@H]1OCC[C@@H]1C 160291906 344162146 /nfs/dbraw/zinc/16/21/46/344162146.db2.gz VSANPPQNRCXAIT-YUMQZZPRSA-N 0 0 172.224 1.363 10 0 ADAERN CC(C)OC(=O)[C@@H]1OCC[C@H]1C 160292065 344162218 /nfs/dbraw/zinc/16/22/18/344162218.db2.gz VSANPPQNRCXAIT-HTQZYQBOSA-N 0 0 172.224 1.363 10 0 ADAERN O[C@H](c1ccsc1)c1csnn1 160288998 344162247 /nfs/dbraw/zinc/16/22/47/344162247.db2.gz JNSRQIQILGTUAI-SSDOTTSWSA-N 0 0 198.272 1.681 10 0 ADAERN C[C@H](CO)S[C@@H]1CCCCC1=O 162660767 344211676 /nfs/dbraw/zinc/21/16/76/344211676.db2.gz GBARJGXLDYBLII-VXNVDRBHSA-N 0 0 188.292 1.612 10 0 ADAERN O[C@@H](c1ccsc1)c1csnn1 160288884 344162317 /nfs/dbraw/zinc/16/23/17/344162317.db2.gz JNSRQIQILGTUAI-ZETCQYMHSA-N 0 0 198.272 1.681 10 0 ADAERN Cc1cccc(F)c1N1CCC(=O)C1 160329720 344162484 /nfs/dbraw/zinc/16/24/84/344162484.db2.gz LCZDIOFQLDFMQC-UHFFFAOYSA-N 0 0 193.221 1.913 10 0 ADAERN Cc1cccc(F)c1NC[C@H](C)O 160315176 344162795 /nfs/dbraw/zinc/16/27/95/344162795.db2.gz ZWBYFQKXXGXKDF-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1cc2c(cc1F)NC(=O)[C@@H]2O 160364204 344163322 /nfs/dbraw/zinc/16/33/22/344163322.db2.gz HTOCPMMWAGTMIE-MRVPVSSYSA-N 0 0 181.166 1.120 10 0 ADAERN Cc1cc2c(cc1F)NC(=O)[C@H]2O 160364343 344163362 /nfs/dbraw/zinc/16/33/62/344163362.db2.gz HTOCPMMWAGTMIE-QMMMGPOBSA-N 0 0 181.166 1.120 10 0 ADAERN Cc1cc(N)cc(F)c1N 160352424 344163376 /nfs/dbraw/zinc/16/33/76/344163376.db2.gz KGNONFGXGAQTHG-UHFFFAOYSA-N 0 0 140.161 1.299 10 0 ADAERN C[C@@H](CNC(=S)NN)C(C)(C)C 163053976 344218732 /nfs/dbraw/zinc/21/87/32/344218732.db2.gz YNLHQFNVHXGVNG-LURJTMIESA-N 0 0 189.328 1.006 10 0 ADAERN OCCCNc1ncc(F)cc1F 160370420 344163816 /nfs/dbraw/zinc/16/38/16/344163816.db2.gz AXVYNSUWVAZTIB-UHFFFAOYSA-N 0 0 188.177 1.154 10 0 ADAERN C[C@@H](O)CNc1ncc(F)cc1F 160371680 344163922 /nfs/dbraw/zinc/16/39/22/344163922.db2.gz GRYVTKWQFNVBSA-RXMQYKEDSA-N 0 0 188.177 1.153 10 0 ADAERN C[C@H](O)CNc1ncc(F)cc1F 160371534 344163975 /nfs/dbraw/zinc/16/39/75/344163975.db2.gz GRYVTKWQFNVBSA-YFKPBYRVSA-N 0 0 188.177 1.153 10 0 ADAERN COc1cccnc1-n1ccnc1C 160380477 344164086 /nfs/dbraw/zinc/16/40/86/344164086.db2.gz SGTQSHQSQROZPK-UHFFFAOYSA-N 0 0 189.218 1.584 10 0 ADAERN Nc1cc(Cl)cc2[nH]c(=O)[nH]c12 160386992 344164322 /nfs/dbraw/zinc/16/43/22/344164322.db2.gz KKLXOCBLIGYMIX-UHFFFAOYSA-N 0 0 183.598 1.504 10 0 ADAERN COc1nc2c(N)cc(Cl)cc2[nH]1 160384463 344164643 /nfs/dbraw/zinc/16/46/43/344164643.db2.gz PHGGWKRVZUKAOK-UHFFFAOYSA-N 0 0 197.625 1.807 10 0 ADAERN Cc1cnc(N[C@@H](C)[C@H](C)CO)nc1 160428786 344165794 /nfs/dbraw/zinc/16/57/94/344165794.db2.gz MLOBABGIARGNQA-BDAKNGLRSA-N 0 0 195.266 1.214 10 0 ADAERN COCC(=O)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 160418178 344165064 /nfs/dbraw/zinc/16/50/64/344165064.db2.gz BLIXKNRYVBJPLC-PBINXNQUSA-N 0 0 197.278 1.075 10 0 ADAERN CC[C@@](O)(CO)c1ccccc1F 160416520 344165093 /nfs/dbraw/zinc/16/50/93/344165093.db2.gz YHNQXLIDFQGSCS-SNVBAGLBSA-N 0 0 184.210 1.416 10 0 ADAERN CC[C@@]1(c2ccccc2F)CC(=O)N1 160406162 344165126 /nfs/dbraw/zinc/16/51/26/344165126.db2.gz UHCRBVAOBFBSGR-NSHDSACASA-N 0 0 193.221 1.951 10 0 ADAERN Cc1occc1-c1ncc(N)cn1 160402362 344165150 /nfs/dbraw/zinc/16/51/50/344165150.db2.gz PBYZYGPVLOWQJY-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC[C@](O)(CO)c1ccccc1F 160416637 344165194 /nfs/dbraw/zinc/16/51/94/344165194.db2.gz YHNQXLIDFQGSCS-JTQLQIEISA-N 0 0 184.210 1.416 10 0 ADAERN CC[C@]1(c2ccccc2F)CC(=O)N1 160406032 344165239 /nfs/dbraw/zinc/16/52/39/344165239.db2.gz UHCRBVAOBFBSGR-LLVKDONJSA-N 0 0 193.221 1.951 10 0 ADAERN Cc1occc1-c1nccc(NN)n1 160433606 344165554 /nfs/dbraw/zinc/16/55/54/344165554.db2.gz NTQNCGBNTGPLQE-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1cnc(N[C@H](C)[C@@H](C)CO)nc1 160428657 344165587 /nfs/dbraw/zinc/16/55/87/344165587.db2.gz MLOBABGIARGNQA-DTWKUNHWSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1cc(N)nc(-c2ccoc2C)n1 160427929 344165611 /nfs/dbraw/zinc/16/56/11/344165611.db2.gz LDYGJHXJIMIGPI-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1cnc(N[C@@H](C)[C@@H](C)CO)nc1 160428522 344165782 /nfs/dbraw/zinc/16/57/82/344165782.db2.gz MLOBABGIARGNQA-IUCAKERBSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1cnc(N[C@H](C)[C@H](C)CO)nc1 160428906 344165826 /nfs/dbraw/zinc/16/58/26/344165826.db2.gz MLOBABGIARGNQA-RKDXNWHRSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1occc1-c1nccc(N)n1 160428533 344165883 /nfs/dbraw/zinc/16/58/83/344165883.db2.gz XIRQMZRNZGSMCQ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1occc1[C@H](C)O 160453673 344166217 /nfs/dbraw/zinc/16/62/17/344166217.db2.gz USZPXBJKGBCFJH-YFKPBYRVSA-N 0 0 126.155 1.641 10 0 ADAERN CC1(C)CC(C)(C)CC(O)(C(N)=O)C1 160445587 344166247 /nfs/dbraw/zinc/16/62/47/344166247.db2.gz LBJZARLAYUZRBF-UHFFFAOYSA-N 0 0 199.294 1.439 10 0 ADAERN Cc1occc1[C@@H](C)O 160453791 344166387 /nfs/dbraw/zinc/16/63/87/344166387.db2.gz USZPXBJKGBCFJH-RXMQYKEDSA-N 0 0 126.155 1.641 10 0 ADAERN Cc1occc1-c1noc(C=O)n1 160448044 344166390 /nfs/dbraw/zinc/16/63/90/344166390.db2.gz YCPZMIPZWOOVSN-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN NNCc1cc(Cl)cc2c1OCC2 160449008 344166454 /nfs/dbraw/zinc/16/64/54/344166454.db2.gz ZEBYVVUTNUHSTP-UHFFFAOYSA-N 0 0 198.653 1.238 10 0 ADAERN Cc1occc1-c1nc(CO)c[nH]1 160444932 344166464 /nfs/dbraw/zinc/16/64/64/344166464.db2.gz JGIISGIIACGOMW-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN Cc1occc1-c1nccc(C=O)n1 160439491 344166486 /nfs/dbraw/zinc/16/64/86/344166486.db2.gz YAKYAAHUOMPORR-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN Cc1occc1-c1ncnc(N)n1 160452131 344166492 /nfs/dbraw/zinc/16/64/92/344166492.db2.gz RHJJRNNUZJCJBV-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=C(c1ccsc1)c1cnsn1 160470476 344166860 /nfs/dbraw/zinc/16/68/60/344166860.db2.gz QRDVIGSCVFBONT-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN O=C(c1ccnnc1)c1ccsc1 160477669 344167006 /nfs/dbraw/zinc/16/70/06/344167006.db2.gz DDSFEGYNHFIJHJ-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN O=C(c1ccsc1)c1cnns1 160473453 344167067 /nfs/dbraw/zinc/16/70/67/344167067.db2.gz GOHXKGPJDJNYFH-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN C[C@@H](O)c1nc(-c2ccc[nH]2)no1 160482785 344167135 /nfs/dbraw/zinc/16/71/35/344167135.db2.gz PCXUHNYJWNEXLP-RXMQYKEDSA-N 0 0 179.179 1.118 10 0 ADAERN O=C(c1ccsc1)c1csnn1 160482805 344167152 /nfs/dbraw/zinc/16/71/52/344167152.db2.gz JYINGPOUVOKLMH-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN OCC1(Cn2cnnc2)CCCCC1 160462448 344167234 /nfs/dbraw/zinc/16/72/34/344167234.db2.gz FMLFZXDIDYRCML-UHFFFAOYSA-N 0 0 195.266 1.221 10 0 ADAERN C[C@H](O)c1nc(-c2ccc[nH]2)no1 160482650 344167268 /nfs/dbraw/zinc/16/72/68/344167268.db2.gz PCXUHNYJWNEXLP-YFKPBYRVSA-N 0 0 179.179 1.118 10 0 ADAERN CO[C@H](C)C(=O)N[C@H](C)C(C)C 160507278 344167529 /nfs/dbraw/zinc/16/75/29/344167529.db2.gz BPKTUGZSCMNLAR-HTQZYQBOSA-N 0 0 173.256 1.182 10 0 ADAERN Cc1ncccc1[C@H](O)C1CC1 160505524 344167533 /nfs/dbraw/zinc/16/75/33/344167533.db2.gz ROAHRNONLUFQIH-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN Cc1nnsc1[C@H](O)C1CC1 160499209 344167545 /nfs/dbraw/zinc/16/75/45/344167545.db2.gz NCNRDVQFGPOWTD-ZCFIWIBFSA-N 0 0 170.237 1.290 10 0 ADAERN Cc1nnsc1[C@@H](O)C1CC1 160499318 344167553 /nfs/dbraw/zinc/16/75/53/344167553.db2.gz NCNRDVQFGPOWTD-LURJTMIESA-N 0 0 170.237 1.290 10 0 ADAERN Cc1cc([C@H](O)C2CC2)n(C)n1 160505261 344167719 /nfs/dbraw/zinc/16/77/19/344167719.db2.gz KXVOXTPZFRLVTF-SECBINFHSA-N 0 0 166.224 1.172 10 0 ADAERN O[C@H](C1CC1)[C@H]1CCSC1 160507852 344168003 /nfs/dbraw/zinc/16/80/03/344168003.db2.gz BURNYGOOIVZHTD-JGVFFNPUSA-N 0 0 158.266 1.510 10 0 ADAERN O[C@@H](C1CC1)[C@H]1CCSC1 160507713 344168049 /nfs/dbraw/zinc/16/80/49/344168049.db2.gz BURNYGOOIVZHTD-YUMQZZPRSA-N 0 0 158.266 1.510 10 0 ADAERN O[C@H](C1CC1)[C@@H]1CCSC1 160507585 344168072 /nfs/dbraw/zinc/16/80/72/344168072.db2.gz BURNYGOOIVZHTD-HTQZYQBOSA-N 0 0 158.266 1.510 10 0 ADAERN CO[C@@H](C)C(=O)N[C@H](C)C(C)C 160507536 344168128 /nfs/dbraw/zinc/16/81/28/344168128.db2.gz BPKTUGZSCMNLAR-SFYZADRCSA-N 0 0 173.256 1.182 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H](C)C(C)C 160507400 344168153 /nfs/dbraw/zinc/16/81/53/344168153.db2.gz BPKTUGZSCMNLAR-JGVFFNPUSA-N 0 0 173.256 1.182 10 0 ADAERN O[C@@H](C1CC1)[C@@H]1CCSC1 160507462 344168155 /nfs/dbraw/zinc/16/81/55/344168155.db2.gz BURNYGOOIVZHTD-SFYZADRCSA-N 0 0 158.266 1.510 10 0 ADAERN CO[C@@H](C)C(=O)N1CCCC1(C)C 160597297 344170956 /nfs/dbraw/zinc/17/09/56/344170956.db2.gz CHWNDQVIWIAVDZ-QMMMGPOBSA-N 0 0 185.267 1.422 10 0 ADAERN CO[C@H](C)C(=O)N1CCCC1(C)C 160597420 344170967 /nfs/dbraw/zinc/17/09/67/344170967.db2.gz CHWNDQVIWIAVDZ-MRVPVSSYSA-N 0 0 185.267 1.422 10 0 ADAERN CCOc1csc(C=O)c1 160586634 344170987 /nfs/dbraw/zinc/17/09/87/344170987.db2.gz LKYZRVUOULHFFA-UHFFFAOYSA-N 0 0 156.206 1.959 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H](C)C1CCCC1 160624765 344171781 /nfs/dbraw/zinc/17/17/81/344171781.db2.gz OGQJTCKFSSFAFA-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@@H](C)C(=O)N[C@H](C)C1CCCC1 160625167 344171846 /nfs/dbraw/zinc/17/18/46/344171846.db2.gz OGQJTCKFSSFAFA-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@@H](C)C(=O)N[C@@H](C)C1CCCC1 160625031 344171911 /nfs/dbraw/zinc/17/19/11/344171911.db2.gz OGQJTCKFSSFAFA-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@H](C)C(=O)N[C@H](C)C1CCCC1 160624896 344171919 /nfs/dbraw/zinc/17/19/19/344171919.db2.gz OGQJTCKFSSFAFA-RKDXNWHRSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@H](C)C(=O)N1CCCCC[C@H]1C 160628162 344172210 /nfs/dbraw/zinc/17/22/10/344172210.db2.gz AVCHALNOXCSIGR-NXEZZACHSA-N 0 0 199.294 1.812 10 0 ADAERN Cc1ccoc1-c1noc(CN)n1 160627162 344172217 /nfs/dbraw/zinc/17/22/17/344172217.db2.gz FLNDBSODRMTVEK-UHFFFAOYSA-N 0 0 179.179 1.097 10 0 ADAERN Cc1cc(C(=O)C2CC2)n(C)n1 160650568 344172540 /nfs/dbraw/zinc/17/25/40/344172540.db2.gz YNZQRJGMPWQBCU-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN Cc1cnc(C(=O)C2CC2)cn1 160648958 344172773 /nfs/dbraw/zinc/17/27/73/344172773.db2.gz KTLNOCAGXPWIEG-UHFFFAOYSA-N 0 0 162.192 1.378 10 0 ADAERN Cc1nnsc1C(=O)C1CC1 160649275 344172815 /nfs/dbraw/zinc/17/28/15/344172815.db2.gz UOIZZIOOKLVMQF-UHFFFAOYSA-N 0 0 168.221 1.439 10 0 ADAERN Cc1ncccc1C(=O)C1CC1 160651192 344172818 /nfs/dbraw/zinc/17/28/18/344172818.db2.gz FDYANMHWGXEEMP-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN Cc1ccc(F)c(C(=O)CN)c1F 160655470 344173031 /nfs/dbraw/zinc/17/30/31/344173031.db2.gz MKWPKZBKJLMJAP-UHFFFAOYSA-N 0 0 185.173 1.415 10 0 ADAERN CCCc1cc(C(N)=O)cc(Cl)n1 160662193 344173204 /nfs/dbraw/zinc/17/32/04/344173204.db2.gz UANWXBYJQJQURY-UHFFFAOYSA-N 0 0 198.653 1.786 10 0 ADAERN Cc1ccc(F)c(NN)c1F 160655606 344173277 /nfs/dbraw/zinc/17/32/77/344173277.db2.gz XEYWXTABOBXBNX-UHFFFAOYSA-N 0 0 158.151 1.559 10 0 ADAERN Nc1nc(CO)cc2ccccc12 160662811 344173442 /nfs/dbraw/zinc/17/34/42/344173442.db2.gz YPZWPJJWSUTSBQ-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN CC1CCC([C@H]2OC(N)=NC2=O)CC1 160723561 344175451 /nfs/dbraw/zinc/17/54/51/344175451.db2.gz FGKJBKNRACVIKR-KAVNDROISA-N 0 0 196.250 1.053 10 0 ADAERN CC1CCC([C@@H]2OC(N)=NC2=O)CC1 160723692 344175454 /nfs/dbraw/zinc/17/54/54/344175454.db2.gz FGKJBKNRACVIKR-RRQHEKLDSA-N 0 0 196.250 1.053 10 0 ADAERN NC1=NC(=O)[C@H](C2CCCCCC2)O1 160728590 344176129 /nfs/dbraw/zinc/17/61/29/344176129.db2.gz XYRAZLMYSQAAHL-QMMMGPOBSA-N 0 0 196.250 1.197 10 0 ADAERN NC1=NC(=O)[C@@H](C2CCCCCC2)O1 160728460 344176331 /nfs/dbraw/zinc/17/63/31/344176331.db2.gz XYRAZLMYSQAAHL-MRVPVSSYSA-N 0 0 196.250 1.197 10 0 ADAERN NC1=NC(=O)[C@@H](CC2CCCCC2)O1 160739135 344176527 /nfs/dbraw/zinc/17/65/27/344176527.db2.gz QGEGUHUTPVYMOV-MRVPVSSYSA-N 0 0 196.250 1.197 10 0 ADAERN NC1=NC(=O)[C@H](CC2CCCCC2)O1 160739270 344176678 /nfs/dbraw/zinc/17/66/78/344176678.db2.gz QGEGUHUTPVYMOV-QMMMGPOBSA-N 0 0 196.250 1.197 10 0 ADAERN CO[C@H](C)C(=O)N1C[C@@H](C)CC[C@@H]1C 160795237 344177465 /nfs/dbraw/zinc/17/74/65/344177465.db2.gz KBWGRJGCJQHUJM-LPEHRKFASA-N 0 0 199.294 1.668 10 0 ADAERN CO[C@H](C)C(=O)N1C[C@H](C)CC[C@@H]1C 160795081 344177591 /nfs/dbraw/zinc/17/75/91/344177591.db2.gz KBWGRJGCJQHUJM-KXUCPTDWSA-N 0 0 199.294 1.668 10 0 ADAERN CO[C@H](C)C(=O)N1C[C@H](C)CC[C@H]1C 160795353 344177640 /nfs/dbraw/zinc/17/76/40/344177640.db2.gz KBWGRJGCJQHUJM-OPRDCNLKSA-N 0 0 199.294 1.668 10 0 ADAERN CO[C@H](C)C(=O)N1C[C@@H](C)CC[C@H]1C 160795483 344177657 /nfs/dbraw/zinc/17/76/57/344177657.db2.gz KBWGRJGCJQHUJM-IVZWLZJFSA-N 0 0 199.294 1.668 10 0 ADAERN Cc1nn(C)c(C)c1C(=O)C1CC1 160817499 344178134 /nfs/dbraw/zinc/17/81/34/344178134.db2.gz SFKFIMIQDHVLFB-UHFFFAOYSA-N 0 0 178.235 1.630 10 0 ADAERN O=C(C[C@@H]1CCOC1)[C@@H]1CCOC1 160820514 344178266 /nfs/dbraw/zinc/17/82/66/344178266.db2.gz ZMMRNGQIPYZYKZ-DTWKUNHWSA-N 0 0 184.235 1.019 10 0 ADAERN O=C(C[C@H]1CCOC1)[C@@H]1CCOC1 160820616 344178288 /nfs/dbraw/zinc/17/82/88/344178288.db2.gz ZMMRNGQIPYZYKZ-RKDXNWHRSA-N 0 0 184.235 1.019 10 0 ADAERN Clc1ccnc(C[C@@H]2CCOC2)n1 160813327 344178314 /nfs/dbraw/zinc/17/83/14/344178314.db2.gz OLLMKCFVFMAKRC-ZETCQYMHSA-N 0 0 198.653 1.709 10 0 ADAERN O=C(C[C@H]1CCOC1)[C@H]1CCOC1 160820863 344178406 /nfs/dbraw/zinc/17/84/06/344178406.db2.gz ZMMRNGQIPYZYKZ-BDAKNGLRSA-N 0 0 184.235 1.019 10 0 ADAERN O=C(C[C@@H]1CCOC1)[C@H]1CCOC1 160820740 344178477 /nfs/dbraw/zinc/17/84/77/344178477.db2.gz ZMMRNGQIPYZYKZ-IUCAKERBSA-N 0 0 184.235 1.019 10 0 ADAERN CC(C)=C[C@@H](O)Cc1ccncc1 160850066 344178781 /nfs/dbraw/zinc/17/87/81/344178781.db2.gz RLEKXNZPKYBNRJ-LLVKDONJSA-N 0 0 177.247 1.951 10 0 ADAERN Clc1ccnc(C[C@H]2CCOC2)n1 160813470 344178558 /nfs/dbraw/zinc/17/85/58/344178558.db2.gz OLLMKCFVFMAKRC-SSDOTTSWSA-N 0 0 198.653 1.709 10 0 ADAERN CC[C@](C)(OC)c1nccc(N)n1 160831259 344178763 /nfs/dbraw/zinc/17/87/63/344178763.db2.gz DFYRHKKGMRBXKO-VIFPVBQESA-N 0 0 181.239 1.330 10 0 ADAERN CC(C)=C[C@H](O)Cc1ccncc1 160849926 344178794 /nfs/dbraw/zinc/17/87/94/344178794.db2.gz RLEKXNZPKYBNRJ-NSHDSACASA-N 0 0 177.247 1.951 10 0 ADAERN CC(C)=C[C@H](O)c1ccnnc1 160844647 344178872 /nfs/dbraw/zinc/17/88/72/344178872.db2.gz SLJGVFPGMXFDIT-VIFPVBQESA-N 0 0 164.208 1.476 10 0 ADAERN Cn1ccnc1C(=O)C[C@H]1CCOC1 160824286 344178878 /nfs/dbraw/zinc/17/88/78/344178878.db2.gz FWTIORKKFHXYRJ-MRVPVSSYSA-N 0 0 194.234 1.029 10 0 ADAERN O[C@@H](C[C@H]1CCOC1)c1cccnc1 160846250 344178888 /nfs/dbraw/zinc/17/88/88/344178888.db2.gz JZTOISBENDMXKG-KOLCDFICSA-N 0 0 193.246 1.542 10 0 ADAERN O[C@@H](C[C@@H]1CCOC1)c1cccnc1 160846044 344178927 /nfs/dbraw/zinc/17/89/27/344178927.db2.gz JZTOISBENDMXKG-ONGXEEELSA-N 0 0 193.246 1.542 10 0 ADAERN CC(C)=C[C@@H](O)c1ccnnc1 160844780 344178938 /nfs/dbraw/zinc/17/89/38/344178938.db2.gz SLJGVFPGMXFDIT-SECBINFHSA-N 0 0 164.208 1.476 10 0 ADAERN CCOC(=O)c1coc(=S)[nH]1 160837083 344179010 /nfs/dbraw/zinc/17/90/10/344179010.db2.gz CYISWJNKMKNYRB-UHFFFAOYSA-N 0 0 173.193 1.140 10 0 in-vitro ADAERN O[C@H](C[C@@H]1CCOC1)c1cccnc1 160845924 344179023 /nfs/dbraw/zinc/17/90/23/344179023.db2.gz JZTOISBENDMXKG-GXSJLCMTSA-N 0 0 193.246 1.542 10 0 ADAERN CC[C@@](C)(OC)c1nccc(N)n1 160831392 344179025 /nfs/dbraw/zinc/17/90/25/344179025.db2.gz DFYRHKKGMRBXKO-SECBINFHSA-N 0 0 181.239 1.330 10 0 ADAERN Cn1ccnc1C(=O)C[C@@H]1CCOC1 160824181 344179053 /nfs/dbraw/zinc/17/90/53/344179053.db2.gz FWTIORKKFHXYRJ-QMMMGPOBSA-N 0 0 194.234 1.029 10 0 ADAERN O[C@H](C[C@H]1CCOC1)c1cccnc1 160846126 344179086 /nfs/dbraw/zinc/17/90/86/344179086.db2.gz JZTOISBENDMXKG-MWLCHTKSSA-N 0 0 193.246 1.542 10 0 ADAERN C[C@H](CO)CNc1ccc(F)cc1 160873611 344179327 /nfs/dbraw/zinc/17/93/27/344179327.db2.gz MXKZSGSABZTGFD-QMMMGPOBSA-N 0 0 183.226 1.866 10 0 ADAERN C[C@@H](CO)CNc1ccc(F)cc1 160873750 344179338 /nfs/dbraw/zinc/17/93/38/344179338.db2.gz MXKZSGSABZTGFD-MRVPVSSYSA-N 0 0 183.226 1.866 10 0 ADAERN CSC[C@H](O)C=C(C)C 160866634 344179409 /nfs/dbraw/zinc/17/94/09/344179409.db2.gz VOMBLHCZOLBTKG-SSDOTTSWSA-N 0 0 146.255 1.677 10 0 ADAERN Cc1occc1[C@@H](O)c1cnn(C)c1 160859013 344179421 /nfs/dbraw/zinc/17/94/21/344179421.db2.gz SJIFCYHBDQVXSZ-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN CC(C)=C[C@@H](O)c1cnc(C)cn1 160858302 344179435 /nfs/dbraw/zinc/17/94/35/344179435.db2.gz IGZFYFFIIBMPFI-SNVBAGLBSA-N 0 0 178.235 1.785 10 0 ADAERN Cc1ccoc1[C@@H](O)c1cnn(C)c1 160859582 344179472 /nfs/dbraw/zinc/17/94/72/344179472.db2.gz UQJNSGVLQZNJQC-VIFPVBQESA-N 0 0 192.218 1.403 10 0 ADAERN Cc1occc1[C@H](O)c1cnn(C)c1 160858883 344179473 /nfs/dbraw/zinc/17/94/73/344179473.db2.gz SJIFCYHBDQVXSZ-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN C[C@H](CO)CNc1ccccc1F 160875069 344179627 /nfs/dbraw/zinc/17/96/27/344179627.db2.gz XMKIBFFNSLOWGU-QMMMGPOBSA-N 0 0 183.226 1.866 10 0 ADAERN C[C@@H](CO)CNc1ccccc1F 160875202 344179791 /nfs/dbraw/zinc/17/97/91/344179791.db2.gz XMKIBFFNSLOWGU-MRVPVSSYSA-N 0 0 183.226 1.866 10 0 ADAERN C[C@H](CO)CN1CCc2ccccc21 160913632 344180051 /nfs/dbraw/zinc/18/00/51/344180051.db2.gz MIAYRCCKKQABGQ-JTQLQIEISA-N 0 0 191.274 1.678 10 0 ADAERN C[C@@H](CO)CN1CCc2ccccc21 160913754 344180102 /nfs/dbraw/zinc/18/01/02/344180102.db2.gz MIAYRCCKKQABGQ-SNVBAGLBSA-N 0 0 191.274 1.678 10 0 ADAERN OCc1csc(C[C@@H]2CCOC2)n1 160916197 344180280 /nfs/dbraw/zinc/18/02/80/344180280.db2.gz RGQVQWJNNDRMTD-ZETCQYMHSA-N 0 0 199.275 1.214 10 0 ADAERN Cc1sc(C[C@H]2CCOC2)nc1N 160917652 344180700 /nfs/dbraw/zinc/18/07/00/344180700.db2.gz YTLYTSZJKVQQMP-SSDOTTSWSA-N 0 0 198.291 1.613 10 0 ADAERN OCc1csc(C[C@H]2CCOC2)n1 160916304 344180732 /nfs/dbraw/zinc/18/07/32/344180732.db2.gz RGQVQWJNNDRMTD-SSDOTTSWSA-N 0 0 199.275 1.214 10 0 ADAERN CCC(=O)Nc1cc(C)ccc1N 160929935 344180807 /nfs/dbraw/zinc/18/08/07/344180807.db2.gz BYWKQLXFDRQXFL-UHFFFAOYSA-N 0 0 178.235 1.926 10 0 ADAERN Cc1sc(C[C@@H]2CCOC2)nc1N 160917534 344180835 /nfs/dbraw/zinc/18/08/35/344180835.db2.gz YTLYTSZJKVQQMP-ZETCQYMHSA-N 0 0 198.291 1.613 10 0 ADAERN O[C@@H](Cc1cncs1)[C@H]1CCOC1 160940279 344180932 /nfs/dbraw/zinc/18/09/32/344180932.db2.gz YMSSDIQFUAWECS-CBAPKCEASA-N 0 0 199.275 1.083 10 0 ADAERN Cc1cc(N)cc(N[C@@H](C)CO)c1 160942250 344180968 /nfs/dbraw/zinc/18/09/68/344180968.db2.gz GVCJPUJAHOFDOT-QMMMGPOBSA-N 0 0 180.251 1.370 10 0 ADAERN O[C@@H](Cc1cncs1)[C@@H]1CCOC1 160940016 344181169 /nfs/dbraw/zinc/18/11/69/344181169.db2.gz YMSSDIQFUAWECS-APPZFPTMSA-N 0 0 199.275 1.083 10 0 ADAERN Cc1cc(N)cc(N[C@H](C)CO)c1 160942397 344181197 /nfs/dbraw/zinc/18/11/97/344181197.db2.gz GVCJPUJAHOFDOT-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN O[C@H](Cc1cncs1)[C@H]1CCOC1 160940405 344181249 /nfs/dbraw/zinc/18/12/49/344181249.db2.gz YMSSDIQFUAWECS-IONNQARKSA-N 0 0 199.275 1.083 10 0 ADAERN C[C@H](CO)Sc1ccccn1 160953387 344181691 /nfs/dbraw/zinc/18/16/91/344181691.db2.gz BIUWXTOTBPKVBH-SSDOTTSWSA-N 0 0 169.249 1.555 10 0 ADAERN Cc1nnc(S[C@@H](C)CO)s1 160953512 344181543 /nfs/dbraw/zinc/18/15/43/344181543.db2.gz LNIMBMJBCLOFKH-BYPYZUCNSA-N 0 0 190.293 1.319 10 0 ADAERN C[C@H](CO)Nc1ncc(F)cc1F 160947001 344181632 /nfs/dbraw/zinc/18/16/32/344181632.db2.gz TZYDCWDMOZRBQO-RXMQYKEDSA-N 0 0 188.177 1.153 10 0 ADAERN Cc1csc(S[C@H](C)CO)n1 160954204 344181639 /nfs/dbraw/zinc/18/16/39/344181639.db2.gz XUJYIPQXDFZIOR-ZCFIWIBFSA-N 0 0 189.305 1.924 10 0 ADAERN C[C@@H](CO)Nc1ncc(F)cc1F 160946891 344181677 /nfs/dbraw/zinc/18/16/77/344181677.db2.gz TZYDCWDMOZRBQO-YFKPBYRVSA-N 0 0 188.177 1.153 10 0 ADAERN C[C@@H](CO)Sc1ccccn1 160953248 344181703 /nfs/dbraw/zinc/18/17/03/344181703.db2.gz BIUWXTOTBPKVBH-ZETCQYMHSA-N 0 0 169.249 1.555 10 0 ADAERN C[C@H](CO)S[C@H]1CCCC[C@@H]1O 160995649 344182780 /nfs/dbraw/zinc/18/27/80/344182780.db2.gz POMXPZCUEJOFIB-VGMNWLOBSA-N 0 0 190.308 1.404 10 0 ADAERN C[C@H](CO)S[C@@H]1CCCC[C@@H]1O 160995402 344182789 /nfs/dbraw/zinc/18/27/89/344182789.db2.gz POMXPZCUEJOFIB-HRDYMLBCSA-N 0 0 190.308 1.404 10 0 ADAERN CCCn1ccnc(Cl)c1=O 161002462 344183008 /nfs/dbraw/zinc/18/30/08/344183008.db2.gz XIPCOVRBSZXAEG-UHFFFAOYSA-N 0 0 172.615 1.307 10 0 ADAERN Cn1cncc1[C@H](O)CC1CC1 161016141 344183316 /nfs/dbraw/zinc/18/33/16/344183316.db2.gz HBXKEJWNALHXMJ-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN CC[C@@](C)(OC)c1nc(N)cs1 161026496 344183332 /nfs/dbraw/zinc/18/33/32/344183332.db2.gz DBMGHEXWADUENX-MRVPVSSYSA-N 0 0 186.280 1.997 10 0 ADAERN Cc1nccc(NC(C)(C)[C@@H](C)O)n1 161097595 344185065 /nfs/dbraw/zinc/18/50/65/344185065.db2.gz ZDVIKAMUCQRGHR-SSDOTTSWSA-N 0 0 195.266 1.356 10 0 ADAERN Cc1nccc(NC(C)(C)[C@H](C)O)n1 161097710 344185256 /nfs/dbraw/zinc/18/52/56/344185256.db2.gz ZDVIKAMUCQRGHR-ZETCQYMHSA-N 0 0 195.266 1.356 10 0 ADAERN O[C@]1(CC2CC2)CCCOCC1 161164438 344186123 /nfs/dbraw/zinc/18/61/23/344186123.db2.gz LNRCWRSEMZXWSR-SNVBAGLBSA-N 0 0 170.252 1.718 10 0 ADAERN O[C@@]1(CC2CC2)CCCOCC1 161164534 344186230 /nfs/dbraw/zinc/18/62/30/344186230.db2.gz LNRCWRSEMZXWSR-JTQLQIEISA-N 0 0 170.252 1.718 10 0 ADAERN O[C@@]1(CC2CC2)CCSC1 161168788 344186294 /nfs/dbraw/zinc/18/62/94/344186294.db2.gz NXWUOEJTDPPDSG-MRVPVSSYSA-N 0 0 158.266 1.655 10 0 ADAERN Cc1nsc(S[C@H](C)CO)n1 161174339 344186316 /nfs/dbraw/zinc/18/63/16/344186316.db2.gz CDFRUFVSKHRLMG-SCSAIBSYSA-N 0 0 190.293 1.319 10 0 ADAERN OCCCc1nc2cc(O)ccc2[nH]1 161181460 344186528 /nfs/dbraw/zinc/18/65/28/344186528.db2.gz BNVVPFZOULZBTQ-UHFFFAOYSA-N 0 0 192.218 1.193 10 0 ADAERN O[C@H](CC1CC1)c1nccs1 161178613 344186741 /nfs/dbraw/zinc/18/67/41/344186741.db2.gz DMNWOLLYDOYCMN-SSDOTTSWSA-N 0 0 169.249 1.977 10 0 ADAERN O=C([O-])[C@@]1(C2CCC2)CCC[NH2+]C1 161203298 344186778 /nfs/dbraw/zinc/18/67/78/344186778.db2.gz VOSGGMXWXAJNMM-JTQLQIEISA-N 0 0 183.251 1.241 10 0 ADAERN O[C@@H](c1ccncc1)C1CCC1 161225659 344187047 /nfs/dbraw/zinc/18/70/47/344187047.db2.gz UKOMGDHJTLNFFL-SNVBAGLBSA-N 0 0 163.220 1.915 10 0 ADAERN Cc1ccoc1-c1nccc(N)n1 161209335 344187191 /nfs/dbraw/zinc/18/71/91/344187191.db2.gz HPLUNVIRSXHUHU-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN O[C@H](c1ccncc1)C1CCC1 161225793 344187272 /nfs/dbraw/zinc/18/72/72/344187272.db2.gz UKOMGDHJTLNFFL-JTQLQIEISA-N 0 0 163.220 1.915 10 0 ADAERN O[C@]1(C2CCC2)CCCOCC1 161245093 344187575 /nfs/dbraw/zinc/18/75/75/344187575.db2.gz NSCUFMVQBDUHHO-SNVBAGLBSA-N 0 0 170.252 1.718 10 0 ADAERN O=C1CCC(O)(C2CCC2)CC1 161249351 344187584 /nfs/dbraw/zinc/18/75/84/344187584.db2.gz RYDCPEXVYPZIIU-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN COCC(=O)[C@@]1(C)CCCS1 161255868 344187766 /nfs/dbraw/zinc/18/77/66/344187766.db2.gz SINTWEXCGPNZIX-MRVPVSSYSA-N 0 0 174.265 1.488 10 0 ADAERN OC1(C2CCC2)CCC1 161252285 344187806 /nfs/dbraw/zinc/18/78/06/344187806.db2.gz QGPZQIWSIKRIRI-UHFFFAOYSA-N 0 0 126.199 1.702 10 0 ADAERN O[C@@]1(C2CCC2)CCCOCC1 161244995 344187821 /nfs/dbraw/zinc/18/78/21/344187821.db2.gz NSCUFMVQBDUHHO-JTQLQIEISA-N 0 0 170.252 1.718 10 0 ADAERN C[C@@H]1OCC[C@]1(O)C1CCC1 161271874 344188153 /nfs/dbraw/zinc/18/81/53/344188153.db2.gz CPYWWDOTUBDFBW-IONNQARKSA-N 0 0 156.225 1.326 10 0 ADAERN Cc1nccc([C@@H](O)C2CCC2)n1 161267613 344188417 /nfs/dbraw/zinc/18/84/17/344188417.db2.gz KFMXQHMNYPIBTD-JTQLQIEISA-N 0 0 178.235 1.619 10 0 ADAERN Cc1ccoc1-c1ncc(C=O)cn1 161278188 344188326 /nfs/dbraw/zinc/18/83/26/344188326.db2.gz CGXZCNISMUKRGH-UHFFFAOYSA-N 0 0 188.186 1.858 10 0 ADAERN C[C@H]1OCC[C@@]1(O)C1CCC1 161271512 344188330 /nfs/dbraw/zinc/18/83/30/344188330.db2.gz CPYWWDOTUBDFBW-APPZFPTMSA-N 0 0 156.225 1.326 10 0 ADAERN Cn1cc(Oc2ncccc2N)cn1 161259996 344188344 /nfs/dbraw/zinc/18/83/44/344188344.db2.gz KSTYZGPATONCOQ-UHFFFAOYSA-N 0 0 190.206 1.190 10 0 ADAERN Cc1nccc([C@H](O)C2CCC2)n1 161267490 344188358 /nfs/dbraw/zinc/18/83/58/344188358.db2.gz KFMXQHMNYPIBTD-SNVBAGLBSA-N 0 0 178.235 1.619 10 0 ADAERN Cc1cnc(C(=O)C2CCC2)nc1 161304828 344188660 /nfs/dbraw/zinc/18/86/60/344188660.db2.gz PCIYEPVUIIFNCG-UHFFFAOYSA-N 0 0 176.219 1.768 10 0 ADAERN Cc1nccc(C(=O)C2CCC2)n1 161304437 344188670 /nfs/dbraw/zinc/18/86/70/344188670.db2.gz VDEOSNCDHGKRJZ-UHFFFAOYSA-N 0 0 176.219 1.768 10 0 ADAERN Cc1ccn(Cc2ccc(C=O)o2)n1 161302197 344188775 /nfs/dbraw/zinc/18/87/75/344188775.db2.gz MDHPDTLOHXIHRX-UHFFFAOYSA-N 0 0 190.202 1.645 10 0 ADAERN O=C(C1CCC1)[C@H]1CSCCO1 161300874 344188792 /nfs/dbraw/zinc/18/87/92/344188792.db2.gz QMBYXUBKZUXNLZ-MRVPVSSYSA-N 0 0 186.276 1.488 10 0 ADAERN Cc1ccnn1Cc1ccc(C=O)o1 161302322 344188798 /nfs/dbraw/zinc/18/87/98/344188798.db2.gz DQALHIFKVCBJBY-UHFFFAOYSA-N 0 0 190.202 1.645 10 0 ADAERN Cn1cncc1C(=O)C1CCC1 161306010 344188810 /nfs/dbraw/zinc/18/88/10/344188810.db2.gz GMKHHVHBGYKURR-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN C[C@](O)(C1CCC1)[C@H]1CCOC1 161282870 344188843 /nfs/dbraw/zinc/18/88/43/344188843.db2.gz WLFLHYFFETZGJU-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@]1(C(=O)C2CCC2)CCCO1 161301380 344188896 /nfs/dbraw/zinc/18/88/96/344188896.db2.gz OIPKWCUNSGVKND-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN Cn1ccc(C(=O)C2CCC2)n1 161289049 344188916 /nfs/dbraw/zinc/18/89/16/344188916.db2.gz ILXHWTMQOHVVGY-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN C[C@@](O)(C1CCC1)[C@@H]1CCOC1 161282548 344188938 /nfs/dbraw/zinc/18/89/38/344188938.db2.gz WLFLHYFFETZGJU-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN O=C(c1ccncn1)C1CCC1 161286292 344188948 /nfs/dbraw/zinc/18/89/48/344188948.db2.gz HHEATTQJSSNOJE-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN CO[C@H](C)C(=O)C1CCC1 161299031 344188975 /nfs/dbraw/zinc/18/89/75/344188975.db2.gz OOJQLISSLPSVLE-ZCFIWIBFSA-N 0 0 142.198 1.391 10 0 ADAERN O=C(C1CCC1)[C@@H]1CSCCO1 161300754 344188979 /nfs/dbraw/zinc/18/89/79/344188979.db2.gz QMBYXUBKZUXNLZ-QMMMGPOBSA-N 0 0 186.276 1.488 10 0 ADAERN CO[C@@H](C)C(=O)C1CCC1 161298935 344188983 /nfs/dbraw/zinc/18/89/83/344188983.db2.gz OOJQLISSLPSVLE-LURJTMIESA-N 0 0 142.198 1.391 10 0 ADAERN Cc1ccoc1-c1n[nH]c([C@H](C)[NH3+])n1 161308312 344188992 /nfs/dbraw/zinc/18/89/92/344188992.db2.gz YTHTXSXZMFYZSV-LURJTMIESA-N 0 0 192.222 1.393 10 0 ADAERN O=C(c1ncccn1)C1CCC1 161284804 344189003 /nfs/dbraw/zinc/18/90/03/344189003.db2.gz SJHHUZMBQSPOTI-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN O=C(C1CCC1)[C@H]1CCCOC1 161289551 344189011 /nfs/dbraw/zinc/18/90/11/344189011.db2.gz LGAKXPOSBXAMGJ-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN C[C@@]1(C(=O)C2CCC2)CCCO1 161301498 344189031 /nfs/dbraw/zinc/18/90/31/344189031.db2.gz OIPKWCUNSGVKND-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN O=C(C1CCC1)[C@@H]1CCCOC1 161289417 344189033 /nfs/dbraw/zinc/18/90/33/344189033.db2.gz LGAKXPOSBXAMGJ-SECBINFHSA-N 0 0 168.236 1.782 10 0 ADAERN C[C@@](O)(C1CCC1)[C@H]1CCOC1 161282770 344189040 /nfs/dbraw/zinc/18/90/40/344189040.db2.gz WLFLHYFFETZGJU-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN COC(C)(C)C(=O)C1CCC1 161298474 344189059 /nfs/dbraw/zinc/18/90/59/344189059.db2.gz YJMWLZICTRJTMR-UHFFFAOYSA-N 0 0 156.225 1.781 10 0 ADAERN O=Cc1ccc(Cn2ccnc2)o1 161295654 344189062 /nfs/dbraw/zinc/18/90/62/344189062.db2.gz ZXHGTJUMUZAUSS-UHFFFAOYSA-N 0 0 176.175 1.337 10 0 ADAERN C[C@](O)(C1CCC1)[C@@H]1CCOC1 161282661 344189070 /nfs/dbraw/zinc/18/90/70/344189070.db2.gz WLFLHYFFETZGJU-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@H](C)[C@H](O)c1ccnnc1 161316583 344189234 /nfs/dbraw/zinc/18/92/34/344189234.db2.gz OZFGLTBKSYATHL-CBAPKCEASA-N 0 0 166.224 1.556 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cnsn1 161314803 344189245 /nfs/dbraw/zinc/18/92/45/344189245.db2.gz PKSVDNRMEOZUDZ-CAHLUQPWSA-N 0 0 172.253 1.618 10 0 ADAERN Cc1ccoc1-c1nc(CO)c[nH]1 161312804 344189266 /nfs/dbraw/zinc/18/92/66/344189266.db2.gz LAVWAKKHAPEPMC-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN CC[C@H](C)[C@H](O)c1csnn1 161329327 344189281 /nfs/dbraw/zinc/18/92/81/344189281.db2.gz ZYPMCUYQZHDKBL-FSPLSTOPSA-N 0 0 172.253 1.618 10 0 ADAERN CC[C@H](C)[C@@H](O)c1snnc1C 161318098 344189293 /nfs/dbraw/zinc/18/92/93/344189293.db2.gz QXQXHLFYZCXQDL-CAHLUQPWSA-N 0 0 186.280 1.926 10 0 ADAERN CC[C@@H](C)[C@H](O)c1csnn1 161329216 344189307 /nfs/dbraw/zinc/18/93/07/344189307.db2.gz ZYPMCUYQZHDKBL-VDTYLAMSSA-N 0 0 172.253 1.618 10 0 ADAERN CC[C@@H](C)[C@H](O)c1ccnnc1 161316445 344189330 /nfs/dbraw/zinc/18/93/30/344189330.db2.gz OZFGLTBKSYATHL-APPZFPTMSA-N 0 0 166.224 1.556 10 0 ADAERN Cc1cnn(Cc2ccc(CO)o2)c1 161325750 344189351 /nfs/dbraw/zinc/18/93/51/344189351.db2.gz RZYSUYVFGLMGNN-UHFFFAOYSA-N 0 0 192.218 1.325 10 0 ADAERN OCc1ccc(Cn2ccnc2)o1 161323953 344189357 /nfs/dbraw/zinc/18/93/57/344189357.db2.gz RCOODLZCEWTWTR-UHFFFAOYSA-N 0 0 178.191 1.017 10 0 ADAERN CC[C@H](C)[C@@H](O)c1ccnnc1 161316819 344189365 /nfs/dbraw/zinc/18/93/65/344189365.db2.gz OZFGLTBKSYATHL-IONNQARKSA-N 0 0 166.224 1.556 10 0 ADAERN CC[C@H](C)[C@H](O)c1snnc1C 161317853 344189375 /nfs/dbraw/zinc/18/93/75/344189375.db2.gz QXQXHLFYZCXQDL-FSPLSTOPSA-N 0 0 186.280 1.926 10 0 ADAERN CC[C@@H](C)[C@H](O)c1snnc1C 161317739 344189421 /nfs/dbraw/zinc/18/94/21/344189421.db2.gz QXQXHLFYZCXQDL-VDTYLAMSSA-N 0 0 186.280 1.926 10 0 ADAERN CC[C@H](C)[C@@H](O)c1csnn1 161329577 344189425 /nfs/dbraw/zinc/18/94/25/344189425.db2.gz ZYPMCUYQZHDKBL-CAHLUQPWSA-N 0 0 172.253 1.618 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1snnc1C 161317996 344189473 /nfs/dbraw/zinc/18/94/73/344189473.db2.gz QXQXHLFYZCXQDL-IYSWYEEDSA-N 0 0 186.280 1.926 10 0 ADAERN C[C@H](O)C(C)(C)NC(=O)C1CCCC1 161329267 344189450 /nfs/dbraw/zinc/18/94/50/344189450.db2.gz VSPHTTJQFOIZPC-QMMMGPOBSA-N 0 0 199.294 1.452 10 0 ADAERN Cc1ccoc1-c1noc(CO)n1 161329220 344189459 /nfs/dbraw/zinc/18/94/59/344189459.db2.gz QEHOVVHROAGGQQ-UHFFFAOYSA-N 0 0 180.163 1.130 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cnsn1 161314466 344189462 /nfs/dbraw/zinc/18/94/62/344189462.db2.gz PKSVDNRMEOZUDZ-VDTYLAMSSA-N 0 0 172.253 1.618 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1ccnnc1 161316703 344189464 /nfs/dbraw/zinc/18/94/64/344189464.db2.gz OZFGLTBKSYATHL-VXNVDRBHSA-N 0 0 166.224 1.556 10 0 ADAERN CC[C@H](C)[C@H](O)c1cnsn1 161314586 344189467 /nfs/dbraw/zinc/18/94/67/344189467.db2.gz PKSVDNRMEOZUDZ-FSPLSTOPSA-N 0 0 172.253 1.618 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cnsn1 161314706 344189481 /nfs/dbraw/zinc/18/94/81/344189481.db2.gz PKSVDNRMEOZUDZ-IYSWYEEDSA-N 0 0 172.253 1.618 10 0 ADAERN Cc1ccoc1-c1noc(C=O)n1 161325459 344189501 /nfs/dbraw/zinc/18/95/01/344189501.db2.gz MIGYMMUZEWIAIW-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1csnn1 161329458 344189504 /nfs/dbraw/zinc/18/95/04/344189504.db2.gz ZYPMCUYQZHDKBL-IYSWYEEDSA-N 0 0 172.253 1.618 10 0 ADAERN Cc1cc(N[C@H](C)[C@H](C)CO)ncn1 161361820 344189677 /nfs/dbraw/zinc/18/96/77/344189677.db2.gz DPWVGWJIYMYOBO-VXNVDRBHSA-N 0 0 195.266 1.214 10 0 ADAERN O[C@H](c1ncc[nH]1)C1CCC1 161339108 344189702 /nfs/dbraw/zinc/18/97/02/344189702.db2.gz FLHLHFFIRKRCBQ-ZETCQYMHSA-N 0 0 152.197 1.243 10 0 ADAERN CC1([C@@H](O)C2CCC2)CC1 161340177 344189845 /nfs/dbraw/zinc/18/98/45/344189845.db2.gz VTYPHNFURBJGGF-QMMMGPOBSA-N 0 0 140.226 1.948 10 0 ADAERN Cc1cc(N[C@@H](C)[C@@H](C)CO)ncn1 161361434 344189933 /nfs/dbraw/zinc/18/99/33/344189933.db2.gz DPWVGWJIYMYOBO-CBAPKCEASA-N 0 0 195.266 1.214 10 0 ADAERN C[C@H](O)C(C)(C)NC(=O)C1CC=CC1 161345587 344189929 /nfs/dbraw/zinc/18/99/29/344189929.db2.gz YFGBMSJUQLBSTP-QMMMGPOBSA-N 0 0 197.278 1.228 10 0 ADAERN CC1([C@H](O)C2CCC2)CC1 161340079 344189991 /nfs/dbraw/zinc/18/99/91/344189991.db2.gz VTYPHNFURBJGGF-MRVPVSSYSA-N 0 0 140.226 1.948 10 0 ADAERN Cc1cc(N[C@H](C)[C@@H](C)CO)ncn1 161361563 344190002 /nfs/dbraw/zinc/19/00/02/344190002.db2.gz DPWVGWJIYMYOBO-IONNQARKSA-N 0 0 195.266 1.214 10 0 ADAERN Cc1cc(N[C@@H](C)[C@H](C)CO)ncn1 161361693 344190032 /nfs/dbraw/zinc/19/00/32/344190032.db2.gz DPWVGWJIYMYOBO-APPZFPTMSA-N 0 0 195.266 1.214 10 0 ADAERN COCC(=O)c1csc(C)n1 161376454 344190383 /nfs/dbraw/zinc/19/03/83/344190383.db2.gz QTBOMILJDMWXRQ-UHFFFAOYSA-N 0 0 171.221 1.281 10 0 ADAERN O=c1c(Cl)nccn1CC1CC1 161379773 344190394 /nfs/dbraw/zinc/19/03/94/344190394.db2.gz KBBSQJNULNCABT-UHFFFAOYSA-N 0 0 184.626 1.307 10 0 ADAERN Cc1cnn(Cc2nccs2)c1N 161405746 344190457 /nfs/dbraw/zinc/19/04/57/344190457.db2.gz UIAZDLPZVTXMTL-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C=CC(=O)Nc1ccnc(Cl)n1 161403085 344190633 /nfs/dbraw/zinc/19/06/33/344190633.db2.gz ZVBZPTLOUICOPS-UHFFFAOYSA-N 0 0 183.598 1.255 10 0 ADAERN C/C=C/C(=O)Nc1ccnc(Cl)n1 161402517 344190670 /nfs/dbraw/zinc/19/06/70/344190670.db2.gz XBDSLYUVUFVTBX-NSCUHMNNSA-N 0 0 197.625 1.645 10 0 ADAERN Cn1cc(Oc2cncc(N)c2)cn1 161390139 344190746 /nfs/dbraw/zinc/19/07/46/344190746.db2.gz MPZBYJYGJDQUHY-UHFFFAOYSA-N 0 0 190.206 1.190 10 0 ADAERN Cc1cc(N)n(Cc2nccs2)n1 161406029 344190850 /nfs/dbraw/zinc/19/08/50/344190850.db2.gz KACDIPZTMQILAO-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Nc1ccnc(-c2ccncc2F)n1 161437481 344190983 /nfs/dbraw/zinc/19/09/83/344190983.db2.gz IHNSCPDQZKOSQV-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN OC1CC(c2ccc(F)cn2)C1 161429003 344191190 /nfs/dbraw/zinc/19/11/90/344191190.db2.gz SJEWSIXTAPZVSP-UHFFFAOYSA-N 0 0 167.183 1.459 10 0 ADAERN Nc1ccnc(Cc2nccs2)n1 161435225 344191407 /nfs/dbraw/zinc/19/14/07/344191407.db2.gz QYLJLZTXFXGGEI-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN O=C(Nc1ccnc(Cl)n1)C1CC1 161442517 344191431 /nfs/dbraw/zinc/19/14/31/344191431.db2.gz GYITVUKYGICSAN-UHFFFAOYSA-N 0 0 197.625 1.479 10 0 ADAERN CCC(=O)Nc1ccnc(Cl)n1 161440173 344191444 /nfs/dbraw/zinc/19/14/44/344191444.db2.gz NUBWYTPARDWCFQ-UHFFFAOYSA-N 0 0 185.614 1.479 10 0 ADAERN CCCC(=O)Nc1ccnc(Cl)n1 161440565 344191454 /nfs/dbraw/zinc/19/14/54/344191454.db2.gz YSUDXMSBAUBCPR-UHFFFAOYSA-N 0 0 199.641 1.869 10 0 ADAERN CC(C)C(=O)Nc1ccnc(Cl)n1 161440737 344191507 /nfs/dbraw/zinc/19/15/07/344191507.db2.gz ZEFUOJPTVORLJN-UHFFFAOYSA-N 0 0 199.641 1.725 10 0 ADAERN CC(=O)Nc1ccnc(Cl)n1 161440023 344191588 /nfs/dbraw/zinc/19/15/88/344191588.db2.gz MZWKVLNZJBKKRE-UHFFFAOYSA-N 0 0 171.587 1.088 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1nccs1 161484794 344191778 /nfs/dbraw/zinc/19/17/78/344191778.db2.gz HRFBGGWENXEVKD-BQBZGAKWSA-N 0 0 167.233 1.836 10 0 ADAERN Nc1nc(-c2nccs2)ns1 161488376 344191812 /nfs/dbraw/zinc/19/18/12/344191812.db2.gz ZMNVJGYSDSKPAT-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Nc1cnc(-c2nccs2)nc1 161487245 344191887 /nfs/dbraw/zinc/19/18/87/344191887.db2.gz LVUBVKYABNUXKR-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1nccs1 161485151 344191953 /nfs/dbraw/zinc/19/19/53/344191953.db2.gz HRFBGGWENXEVKD-RNFRBKRXSA-N 0 0 167.233 1.836 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cncs1 161484641 344192031 /nfs/dbraw/zinc/19/20/31/344192031.db2.gz WBHYPUMOSJHNKI-RNFRBKRXSA-N 0 0 167.233 1.836 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cncs1 161484535 344192107 /nfs/dbraw/zinc/19/21/07/344192107.db2.gz WBHYPUMOSJHNKI-NKWVEPMBSA-N 0 0 167.233 1.836 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cncs1 161484307 344192154 /nfs/dbraw/zinc/19/21/54/344192154.db2.gz WBHYPUMOSJHNKI-BQBZGAKWSA-N 0 0 167.233 1.836 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1nccs1 161485023 344192158 /nfs/dbraw/zinc/19/21/58/344192158.db2.gz HRFBGGWENXEVKD-NKWVEPMBSA-N 0 0 167.233 1.836 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1nccs1 161484910 344192162 /nfs/dbraw/zinc/19/21/62/344192162.db2.gz HRFBGGWENXEVKD-RQJHMYQMSA-N 0 0 167.233 1.836 10 0 ADAERN N[C@@H](c1cncs1)c1nccs1 161499502 344192255 /nfs/dbraw/zinc/19/22/55/344192255.db2.gz KUAUHPXFWOVHEN-LURJTMIESA-N 0 0 197.288 1.648 10 0 ADAERN Nc1ccnc(NC2CCC2)n1 161502035 344192269 /nfs/dbraw/zinc/19/22/69/344192269.db2.gz AFUTVJBKERJYSM-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN NC(c1nccs1)c1nccs1 161499646 344192333 /nfs/dbraw/zinc/19/23/33/344192333.db2.gz HKUHGGRABDVPKF-UHFFFAOYSA-N 0 0 197.288 1.648 10 0 ADAERN C[C@H](CC1CC1)Nc1nccc(N)n1 161507584 344192360 /nfs/dbraw/zinc/19/23/60/344192360.db2.gz GIKJXOVVGXKZKO-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN N[C@H](c1cncs1)c1nccs1 161499392 344192454 /nfs/dbraw/zinc/19/24/54/344192454.db2.gz KUAUHPXFWOVHEN-ZCFIWIBFSA-N 0 0 197.288 1.648 10 0 ADAERN Cc1cc(-c2cc(N)on2)co1 161516966 344192583 /nfs/dbraw/zinc/19/25/83/344192583.db2.gz LAUDQYAFTJKJEN-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C[C@@H](CC1CC1)Nc1nccc(N)n1 161507475 344192615 /nfs/dbraw/zinc/19/26/15/344192615.db2.gz GIKJXOVVGXKZKO-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN O[C@H](c1cnccn1)c1nccs1 161539850 344192787 /nfs/dbraw/zinc/19/27/87/344192787.db2.gz HTWINUHPHRBFAS-SSDOTTSWSA-N 0 0 193.231 1.015 10 0 ADAERN O[C@@H](C1=COCCC1)c1nccs1 161523218 344192819 /nfs/dbraw/zinc/19/28/19/344192819.db2.gz KXMIMUHMBAKWRQ-QMMMGPOBSA-N 0 0 197.259 1.871 10 0 ADAERN CC(C)[C@@H](C)CNc1nccc(N)n1 161523738 344192841 /nfs/dbraw/zinc/19/28/41/344192841.db2.gz YGWXZUSVVZIFNY-QMMMGPOBSA-N 0 0 194.282 1.763 10 0 ADAERN O=C1CCC2(CCCC2)C[C@H]1O 161524556 344192933 /nfs/dbraw/zinc/19/29/33/344192933.db2.gz FRKNSEPXAVTMQH-SECBINFHSA-N 0 0 168.236 1.661 10 0 ADAERN Cc1cc(C(=O)N2CCCO2)co1 161539638 344192943 /nfs/dbraw/zinc/19/29/43/344192943.db2.gz ZAQXAGFLNHTRHC-UHFFFAOYSA-N 0 0 181.191 1.366 10 0 ADAERN CC(C)[C@H](C)CNc1nccc(N)n1 161523838 344192975 /nfs/dbraw/zinc/19/29/75/344192975.db2.gz YGWXZUSVVZIFNY-MRVPVSSYSA-N 0 0 194.282 1.763 10 0 ADAERN Cc1cc(C2N=NC(=S)O2)co1 161525478 344192997 /nfs/dbraw/zinc/19/29/97/344192997.db2.gz JNESYGUUFQIXFP-UHFFFAOYSA-N 0 0 182.204 1.927 10 0 ADAERN O=C1CCC2(CCCC2)C[C@@H]1O 161524677 344193023 /nfs/dbraw/zinc/19/30/23/344193023.db2.gz FRKNSEPXAVTMQH-VIFPVBQESA-N 0 0 168.236 1.661 10 0 ADAERN O[C@@H](c1cnccn1)c1nccs1 161539747 344193033 /nfs/dbraw/zinc/19/30/33/344193033.db2.gz HTWINUHPHRBFAS-ZETCQYMHSA-N 0 0 193.231 1.015 10 0 ADAERN O[C@H](C1=COCCC1)c1nccs1 161523097 344193043 /nfs/dbraw/zinc/19/30/43/344193043.db2.gz KXMIMUHMBAKWRQ-MRVPVSSYSA-N 0 0 197.259 1.871 10 0 ADAERN Cc1cc(C2N=NC(=S)N2)co1 161531712 344193057 /nfs/dbraw/zinc/19/30/57/344193057.db2.gz YSUDBHNWWHJGOC-UHFFFAOYSA-N 0 0 181.220 1.662 10 0 ADAERN CCc1nc(-c2coc(C)c2)n[nH]1 161528142 344193185 /nfs/dbraw/zinc/19/31/85/344193185.db2.gz FCAFMKJLYXUSGH-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN Cc1cc(C2N=NC(=S)N2C)co1 161532773 344193221 /nfs/dbraw/zinc/19/32/21/344193221.db2.gz NQYHFGJRMWEBFH-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN O[C@@H](c1ccoc1)c1nccs1 161548453 344193303 /nfs/dbraw/zinc/19/33/03/344193303.db2.gz VAWOSHLNNUDFCH-ZETCQYMHSA-N 0 0 181.216 1.818 10 0 ADAERN O[C@@H](c1nccs1)C1CCOCC1 161548192 344193318 /nfs/dbraw/zinc/19/33/18/344193318.db2.gz KEGAREWQTAVFTI-MRVPVSSYSA-N 0 0 199.275 1.603 10 0 ADAERN Cc1cc(C(=O)Nc2ncc[nH]2)co1 161562643 344193331 /nfs/dbraw/zinc/19/33/31/344193331.db2.gz LBIBULVVWIKOKT-UHFFFAOYSA-N 0 0 191.190 1.563 10 0 ADAERN O[C@H](c1cncnc1)c1nccs1 161547781 344193340 /nfs/dbraw/zinc/19/33/40/344193340.db2.gz NUBHSPNQSFWKGH-SSDOTTSWSA-N 0 0 193.231 1.015 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H](C2CCC2)[NH2+]1 161564392 344193416 /nfs/dbraw/zinc/19/34/16/344193416.db2.gz NSCXONRJBZFELZ-RKDXNWHRSA-N 0 0 183.251 1.382 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H](C2CCC2)[NH2+]1 161564254 344193449 /nfs/dbraw/zinc/19/34/49/344193449.db2.gz NSCXONRJBZFELZ-DTWKUNHWSA-N 0 0 183.251 1.382 10 0 ADAERN CNc1cc(C(F)(F)F)nc(N)n1 161564961 344193465 /nfs/dbraw/zinc/19/34/65/344193465.db2.gz ZRRHZTZIMGVVBA-UHFFFAOYSA-N 0 0 192.144 1.119 10 0 ADAERN O[C@H](c1ccoc1)c1nccs1 161548571 344193540 /nfs/dbraw/zinc/19/35/40/344193540.db2.gz VAWOSHLNNUDFCH-SSDOTTSWSA-N 0 0 181.216 1.818 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H](C2CCC2)[NH2+]1 161564665 344193595 /nfs/dbraw/zinc/19/35/95/344193595.db2.gz NSCXONRJBZFELZ-BDAKNGLRSA-N 0 0 183.251 1.382 10 0 ADAERN O[C@H](c1nccs1)C1CCOCC1 161548311 344193612 /nfs/dbraw/zinc/19/36/12/344193612.db2.gz KEGAREWQTAVFTI-QMMMGPOBSA-N 0 0 199.275 1.603 10 0 ADAERN Clc1nc(-c2nccs2)no1 161579559 344193986 /nfs/dbraw/zinc/19/39/86/344193986.db2.gz RVIKGUFRCZVWAD-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN CC[C@@H]1CCCN1c1nccc(N)n1 161569785 344194018 /nfs/dbraw/zinc/19/40/18/344194018.db2.gz ATQQIZWJYHAYAV-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN CC(C)c1nc2ncnc(N)c2[nH]1 161567123 344194039 /nfs/dbraw/zinc/19/40/39/344194039.db2.gz WYTKLJNUYWSFLQ-UHFFFAOYSA-N 0 0 177.211 1.059 10 0 ADAERN CC[C@H]1CCCN1c1nccc(N)n1 161569895 344194088 /nfs/dbraw/zinc/19/40/88/344194088.db2.gz ATQQIZWJYHAYAV-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H]1CCCN1c1nccc(N)n1 161570454 344194154 /nfs/dbraw/zinc/19/41/54/344194154.db2.gz AXZJACJNYBXEGM-ZETCQYMHSA-N 0 0 178.239 1.048 10 0 ADAERN C[C@@H]1CCCN1c1nccc(N)n1 161570321 344194240 /nfs/dbraw/zinc/19/42/40/344194240.db2.gz AXZJACJNYBXEGM-SSDOTTSWSA-N 0 0 178.239 1.048 10 0 ADAERN CCOC(=N)c1nccs1 161579869 344194263 /nfs/dbraw/zinc/19/42/63/344194263.db2.gz NKZJOBQIVXKNMD-UHFFFAOYSA-N 0 0 156.210 1.505 10 0 ADAERN Cc1cc([C@@H](O)c2ccc[nH]2)co1 161594314 344194422 /nfs/dbraw/zinc/19/44/22/344194422.db2.gz HDDYOYOAIFTWJO-SNVBAGLBSA-N 0 0 177.203 1.998 10 0 ADAERN c1ncc([C@@H]2NCCS2)s1 161608038 344194549 /nfs/dbraw/zinc/19/45/49/344194549.db2.gz YOFWKYYOGIMDNS-ZCFIWIBFSA-N 0 0 172.278 1.478 10 0 ADAERN Cc1cc([C@@H](O)c2cc[nH]c2)co1 161594635 344194622 /nfs/dbraw/zinc/19/46/22/344194622.db2.gz WZBRPKYUDIYWAE-JTQLQIEISA-N 0 0 177.203 1.998 10 0 ADAERN Cc1cc([C@H](O)c2cc[nH]c2)co1 161594477 344194626 /nfs/dbraw/zinc/19/46/26/344194626.db2.gz WZBRPKYUDIYWAE-SNVBAGLBSA-N 0 0 177.203 1.998 10 0 ADAERN O=[N+]([O-])/C=C/c1cncs1 161604775 344194679 /nfs/dbraw/zinc/19/46/79/344194679.db2.gz DMGQNGYBXDXACX-OWOJBTEDSA-N 0 0 156.166 1.391 10 0 ADAERN Cc1cc([C@H](O)c2ccc[nH]2)co1 161594187 344194727 /nfs/dbraw/zinc/19/47/27/344194727.db2.gz HDDYOYOAIFTWJO-JTQLQIEISA-N 0 0 177.203 1.998 10 0 ADAERN O[C@@H]1C=C(C2CCC2)CC1 161590283 344194755 /nfs/dbraw/zinc/19/47/55/344194755.db2.gz AKIFMSVUYBFAQE-VIFPVBQESA-N 0 0 138.210 1.868 10 0 ADAERN OCC[C@@H]1CCN(CC(F)(F)F)C1 161598564 344194759 /nfs/dbraw/zinc/19/47/59/344194759.db2.gz KUAZOOTZLCWLQB-ZETCQYMHSA-N 0 0 197.200 1.253 10 0 ADAERN OCC[C@H]1CCN(CC(F)(F)F)C1 161598704 344194767 /nfs/dbraw/zinc/19/47/67/344194767.db2.gz KUAZOOTZLCWLQB-SSDOTTSWSA-N 0 0 197.200 1.253 10 0 ADAERN O[C@H]1C=C(C2CCC2)CC1 161590186 344194793 /nfs/dbraw/zinc/19/47/93/344194793.db2.gz AKIFMSVUYBFAQE-SECBINFHSA-N 0 0 138.210 1.868 10 0 ADAERN C[C@@H]1CN(c2nccc(N)n2)C[C@H]1C 161622289 344194862 /nfs/dbraw/zinc/19/48/62/344194862.db2.gz FZWWKQXQNGTTLT-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN c1csc([C@@H]2NCCCS2)n1 161610320 344194873 /nfs/dbraw/zinc/19/48/73/344194873.db2.gz XOIAYITXWHWRMS-ZCFIWIBFSA-N 0 0 186.305 1.868 10 0 ADAERN C[C@H]1CN[C@@H](c2nccs2)S1 161608664 344194882 /nfs/dbraw/zinc/19/48/82/344194882.db2.gz BPWHTIPQCBUZMJ-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CN[C@H](c2cncs2)S1 161608937 344194890 /nfs/dbraw/zinc/19/48/90/344194890.db2.gz OFDPREIKYVQINV-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CN[C@@H](c2cncs2)S1 161609173 344194901 /nfs/dbraw/zinc/19/49/01/344194901.db2.gz OFDPREIKYVQINV-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@@H]1CN[C@H](c2nccs2)S1 161608307 344194916 /nfs/dbraw/zinc/19/49/16/344194916.db2.gz BPWHTIPQCBUZMJ-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CN[C@H](c2nccs2)S1 161608438 344194958 /nfs/dbraw/zinc/19/49/58/344194958.db2.gz BPWHTIPQCBUZMJ-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CS[C@@H](c2cncs2)N1 161610160 344194984 /nfs/dbraw/zinc/19/49/84/344194984.db2.gz MYZNBMSKWRCMEM-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@@H]1CS[C@H](c2nccs2)N1 161609302 344195052 /nfs/dbraw/zinc/19/50/52/344195052.db2.gz XOCPLLLNYICLHC-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN O[C@@H](Cc1ccco1)c1cnns1 161612076 344195064 /nfs/dbraw/zinc/19/50/64/344195064.db2.gz JGTYNRHFGKYMDY-ZETCQYMHSA-N 0 0 196.231 1.407 10 0 ADAERN OCC1(C2CCC2)CCOCC1 161610099 344195067 /nfs/dbraw/zinc/19/50/67/344195067.db2.gz TYELIOOHNVBFDQ-UHFFFAOYSA-N 0 0 170.252 1.576 10 0 ADAERN OC[C@]1(C2CCC2)CCOC1 161614031 344195093 /nfs/dbraw/zinc/19/50/93/344195093.db2.gz AEDORRWAFZTEEK-SECBINFHSA-N 0 0 156.225 1.186 10 0 ADAERN C[C@@H]1CS[C@H](c2cncs2)N1 161609800 344195122 /nfs/dbraw/zinc/19/51/22/344195122.db2.gz MYZNBMSKWRCMEM-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@@H]1CN[C@@H](c2cncs2)S1 161609055 344195129 /nfs/dbraw/zinc/19/51/29/344195129.db2.gz OFDPREIKYVQINV-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN c1ncc([C@H]2NCCCS2)s1 161610720 344195145 /nfs/dbraw/zinc/19/51/45/344195145.db2.gz RTJSCOOMMFVLCZ-ZETCQYMHSA-N 0 0 186.305 1.868 10 0 ADAERN C[C@@H]1CS[C@@H](c2cncs2)N1 161610040 344195157 /nfs/dbraw/zinc/19/51/57/344195157.db2.gz MYZNBMSKWRCMEM-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CS[C@H](c2cncs2)N1 161609915 344195164 /nfs/dbraw/zinc/19/51/64/344195164.db2.gz MYZNBMSKWRCMEM-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN c1ncc([C@H]2NCCS2)s1 161608176 344195190 /nfs/dbraw/zinc/19/51/90/344195190.db2.gz YOFWKYYOGIMDNS-LURJTMIESA-N 0 0 172.278 1.478 10 0 ADAERN OCC1(C2CCC2)CC1 161610375 344195201 /nfs/dbraw/zinc/19/52/01/344195201.db2.gz RBNVXAWDZJZIQJ-UHFFFAOYSA-N 0 0 126.199 1.559 10 0 ADAERN C[C@@H]1CN[C@H](c2cncs2)S1 161608814 344195216 /nfs/dbraw/zinc/19/52/16/344195216.db2.gz OFDPREIKYVQINV-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN OC[C@@]1(C2CCC2)CCOC1 161613931 344195222 /nfs/dbraw/zinc/19/52/22/344195222.db2.gz AEDORRWAFZTEEK-VIFPVBQESA-N 0 0 156.225 1.186 10 0 ADAERN C[C@@H]1CN[C@@H](c2nccs2)S1 161608554 344195230 /nfs/dbraw/zinc/19/52/30/344195230.db2.gz BPWHTIPQCBUZMJ-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@@H]1CS[C@@H](c2nccs2)N1 161609539 344195250 /nfs/dbraw/zinc/19/52/50/344195250.db2.gz XOCPLLLNYICLHC-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CS[C@@H](c2nccs2)N1 161609672 344195259 /nfs/dbraw/zinc/19/52/59/344195259.db2.gz XOCPLLLNYICLHC-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@H]1CN(c2nccc(N)n2)C[C@@H]1C 161622156 344195263 /nfs/dbraw/zinc/19/52/63/344195263.db2.gz FZWWKQXQNGTTLT-YUMQZZPRSA-N 0 0 192.266 1.151 10 0 ADAERN Cc1cc(-c2nc(N)no2)co1 161626511 344195275 /nfs/dbraw/zinc/19/52/75/344195275.db2.gz YNAWBEXUDALUFU-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN c1ncc([C@@H]2NCCCS2)s1 161610584 344195282 /nfs/dbraw/zinc/19/52/82/344195282.db2.gz RTJSCOOMMFVLCZ-SSDOTTSWSA-N 0 0 186.305 1.868 10 0 ADAERN Nc1ccnc(Nc2ccsc2)n1 161621588 344195310 /nfs/dbraw/zinc/19/53/10/344195310.db2.gz NUYLYDFUJOGWPC-UHFFFAOYSA-N 0 0 192.247 1.864 10 0 ADAERN C[C@H]1CS[C@H](c2nccs2)N1 161609435 344195326 /nfs/dbraw/zinc/19/53/26/344195326.db2.gz XOCPLLLNYICLHC-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN c1csc([C@H]2NCCCS2)n1 161610458 344195332 /nfs/dbraw/zinc/19/53/32/344195332.db2.gz XOIAYITXWHWRMS-LURJTMIESA-N 0 0 186.305 1.868 10 0 ADAERN O[C@H](Cc1ccco1)c1cnns1 161612198 344195336 /nfs/dbraw/zinc/19/53/36/344195336.db2.gz JGTYNRHFGKYMDY-SSDOTTSWSA-N 0 0 196.231 1.407 10 0 ADAERN C[C@@H]1CN(c2nccc(N)n2)C[C@@H]1C 161622071 344195343 /nfs/dbraw/zinc/19/53/43/344195343.db2.gz FZWWKQXQNGTTLT-OCAPTIKFSA-N 0 0 192.266 1.151 10 0 ADAERN Cc1cc(-c2nnc(CN)o2)co1 161632382 344195591 /nfs/dbraw/zinc/19/55/91/344195591.db2.gz ODORGDNCDFFKTO-UHFFFAOYSA-N 0 0 179.179 1.097 10 0 ADAERN CSC[C@@H](C)Nc1nccc(N)n1 161665258 344195727 /nfs/dbraw/zinc/19/57/27/344195727.db2.gz RQIIJFKTHJQWSC-ZCFIWIBFSA-N 0 0 198.295 1.222 10 0 ADAERN CSC[C@H](C)Nc1nccc(N)n1 161665131 344195798 /nfs/dbraw/zinc/19/57/98/344195798.db2.gz RQIIJFKTHJQWSC-LURJTMIESA-N 0 0 198.295 1.222 10 0 ADAERN CC1CC(Nc2nccc(N)n2)C1 161663484 344195857 /nfs/dbraw/zinc/19/58/57/344195857.db2.gz YXNZOSMACHDNEX-UHFFFAOYSA-N 0 0 178.239 1.269 10 0 ADAERN O[C@H](C1=COCCC1)c1cnccn1 161679521 344195869 /nfs/dbraw/zinc/19/58/69/344195869.db2.gz BYXSBMRSTJDRTJ-SNVBAGLBSA-N 0 0 192.218 1.204 10 0 ADAERN Nc1ccnc(NC2CC=CC2)n1 161666065 344195926 /nfs/dbraw/zinc/19/59/26/344195926.db2.gz VVIYHWDNWJAKFX-UHFFFAOYSA-N 0 0 176.223 1.189 10 0 ADAERN O[C@@H](C1=COCCC1)c1ccnnc1 161670983 344196049 /nfs/dbraw/zinc/19/60/49/344196049.db2.gz YHDSLIHYUPDVSL-SNVBAGLBSA-N 0 0 192.218 1.204 10 0 ADAERN CC1(Nc2nccc(N)n2)CCC1 161673938 344196067 /nfs/dbraw/zinc/19/60/67/344196067.db2.gz JTMUKCZQMZRULM-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN O[C@H](C1=COCCC1)c1ccnnc1 161670854 344196126 /nfs/dbraw/zinc/19/61/26/344196126.db2.gz YHDSLIHYUPDVSL-JTQLQIEISA-N 0 0 192.218 1.204 10 0 ADAERN O[C@@H](C1=COCCC1)c1cnccn1 161679647 344196187 /nfs/dbraw/zinc/19/61/87/344196187.db2.gz BYXSBMRSTJDRTJ-JTQLQIEISA-N 0 0 192.218 1.204 10 0 ADAERN OCc1c[nH]c(-c2nccs2)n1 161664514 344196200 /nfs/dbraw/zinc/19/62/00/344196200.db2.gz FBSIXKIWYBTMOQ-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN CC1(Nc2nccc(N)n2)CC1 161673646 344196224 /nfs/dbraw/zinc/19/62/24/344196224.db2.gz SACBPWPYDLUBLD-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN Nc1ccnc(OC2CCCC2)n1 161705396 344196347 /nfs/dbraw/zinc/19/63/47/344196347.db2.gz KSEULEAISMOHIA-UHFFFAOYSA-N 0 0 179.223 1.380 10 0 ADAERN C[C@H]1C[C@H](C)N(c2nccc(N)n2)C1 161697358 344196392 /nfs/dbraw/zinc/19/63/92/344196392.db2.gz HZWWHTNHZAUMDU-YUMQZZPRSA-N 0 0 192.266 1.294 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2nccc(N)n2)C1 161697473 344196420 /nfs/dbraw/zinc/19/64/20/344196420.db2.gz HZWWHTNHZAUMDU-HTQZYQBOSA-N 0 0 192.266 1.294 10 0 ADAERN CC(C)(C)Oc1nccc(N)n1 161701935 344196453 /nfs/dbraw/zinc/19/64/53/344196453.db2.gz OPRCKQFBXZQEAR-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1nccc(N)n1 161697226 344196475 /nfs/dbraw/zinc/19/64/75/344196475.db2.gz HZWWHTNHZAUMDU-SFYZADRCSA-N 0 0 192.266 1.294 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2nccc(N)n2)C1 161697620 344196522 /nfs/dbraw/zinc/19/65/22/344196522.db2.gz HZWWHTNHZAUMDU-JGVFFNPUSA-N 0 0 192.266 1.294 10 0 ADAERN CC[C@H]1NC(=O)C[C@H]1c1nccs1 161750535 344197302 /nfs/dbraw/zinc/19/73/02/344197302.db2.gz XOODEHLKBIONQI-RNFRBKRXSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1c1cncs1 161749558 344197315 /nfs/dbraw/zinc/19/73/15/344197315.db2.gz AQUUDNUQKTUFDM-NTSWFWBYSA-N 0 0 182.248 1.135 10 0 ADAERN C[C@H]1NC(=O)C[C@@H]1c1nccs1 161749167 344197392 /nfs/dbraw/zinc/19/73/92/344197392.db2.gz WHNGJLSREUJIPZ-RITPCOANSA-N 0 0 182.248 1.135 10 0 ADAERN C[C@H]1NC(=O)C[C@@H]1c1cncs1 161749675 344197405 /nfs/dbraw/zinc/19/74/05/344197405.db2.gz AQUUDNUQKTUFDM-RITPCOANSA-N 0 0 182.248 1.135 10 0 ADAERN CC1(C)NC(=O)C[C@@H]1c1nccs1 161750094 344197408 /nfs/dbraw/zinc/19/74/08/344197408.db2.gz QADKRRLVKTYUCM-ZCFIWIBFSA-N 0 0 196.275 1.525 10 0 ADAERN CC[C@H]1NC(=O)C[C@@H]1c1cncs1 161751378 344197418 /nfs/dbraw/zinc/19/74/18/344197418.db2.gz QMFDFWVJFUDZHW-NKWVEPMBSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@H]1NC(=O)C[C@H]1c1cncs1 161749445 344197436 /nfs/dbraw/zinc/19/74/36/344197436.db2.gz AQUUDNUQKTUFDM-PHDIDXHHSA-N 0 0 182.248 1.135 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@H]1c1cncs1 161751515 344197460 /nfs/dbraw/zinc/19/74/60/344197460.db2.gz QMFDFWVJFUDZHW-BQBZGAKWSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@@H]1NC(=O)C[C@@H]1c1cncs1 161749802 344197479 /nfs/dbraw/zinc/19/74/79/344197479.db2.gz AQUUDNUQKTUFDM-WDSKDSINSA-N 0 0 182.248 1.135 10 0 ADAERN CC1(C)NC(=O)C[C@H]1c1nccs1 161749963 344197483 /nfs/dbraw/zinc/19/74/83/344197483.db2.gz QADKRRLVKTYUCM-LURJTMIESA-N 0 0 196.275 1.525 10 0 ADAERN CC(C)(C)Sc1nccc(N)n1 161751317 344197503 /nfs/dbraw/zinc/19/75/03/344197503.db2.gz LIIGNAPCIXBXCW-UHFFFAOYSA-N 0 0 183.280 1.949 10 0 ADAERN CC1(C)NC(=O)C[C@H]1c1cncs1 161750260 344197573 /nfs/dbraw/zinc/19/75/73/344197573.db2.gz UIZRGUHDLQKILC-LURJTMIESA-N 0 0 196.275 1.525 10 0 ADAERN CC[C@@H]1NC(=O)C[C@H]1c1nccs1 161750668 344197576 /nfs/dbraw/zinc/19/75/76/344197576.db2.gz XOODEHLKBIONQI-RQJHMYQMSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@@H]1NC(=O)C[C@@H]1c1nccs1 161749293 344197636 /nfs/dbraw/zinc/19/76/36/344197636.db2.gz WHNGJLSREUJIPZ-WDSKDSINSA-N 0 0 182.248 1.135 10 0 ADAERN CC[C@H]1NC(=O)C[C@H]1c1cncs1 161751123 344197654 /nfs/dbraw/zinc/19/76/54/344197654.db2.gz QMFDFWVJFUDZHW-RNFRBKRXSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@H]1NC(=O)C[C@H]1c1nccs1 161748922 344197678 /nfs/dbraw/zinc/19/76/78/344197678.db2.gz WHNGJLSREUJIPZ-PHDIDXHHSA-N 0 0 182.248 1.135 10 0 ADAERN CC[C@@H]1NC(=O)C[C@H]1c1cncs1 161751257 344197689 /nfs/dbraw/zinc/19/76/89/344197689.db2.gz QMFDFWVJFUDZHW-RQJHMYQMSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1c1nccs1 161749042 344197713 /nfs/dbraw/zinc/19/77/13/344197713.db2.gz WHNGJLSREUJIPZ-NTSWFWBYSA-N 0 0 182.248 1.135 10 0 ADAERN CC[C@H]1NC(=O)C[C@@H]1c1nccs1 161750777 344197732 /nfs/dbraw/zinc/19/77/32/344197732.db2.gz XOODEHLKBIONQI-NKWVEPMBSA-N 0 0 196.275 1.525 10 0 ADAERN CC1(C)NC(=O)C[C@@H]1c1cncs1 161750387 344197741 /nfs/dbraw/zinc/19/77/41/344197741.db2.gz UIZRGUHDLQKILC-ZCFIWIBFSA-N 0 0 196.275 1.525 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@H]1c1nccs1 161750928 344197759 /nfs/dbraw/zinc/19/77/59/344197759.db2.gz XOODEHLKBIONQI-BQBZGAKWSA-N 0 0 196.275 1.525 10 0 ADAERN CC/C(=C\c1cncs1)CO 161797102 344197901 /nfs/dbraw/zinc/19/79/01/344197901.db2.gz DZGXJPZNFNQUID-XVNBXDOJSA-N 0 0 169.249 1.929 10 0 ADAERN CCc1ccccc1-c1nnc(N)o1 161806592 344198094 /nfs/dbraw/zinc/19/80/94/344198094.db2.gz SCXUZYJBUHVIRG-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN C/C(=C/c1nccs1)CO 161797923 344198110 /nfs/dbraw/zinc/19/81/10/344198110.db2.gz WGRBDKCMHWLJSV-XQRVVYSFSA-N 0 0 155.222 1.539 10 0 ADAERN CCc1ccccc1-c1nc(N)n[nH]1 161806312 344198193 /nfs/dbraw/zinc/19/81/93/344198193.db2.gz PJQOFGWSHCDZIK-UHFFFAOYSA-N 0 0 188.234 1.616 10 0 ADAERN O=C(Cc1ccco1)c1ccnnc1 161796794 344198263 /nfs/dbraw/zinc/19/82/63/344198263.db2.gz UQYBXQZKMWQFFC-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN OC[C@@H]1CCCO[C@H]1c1cncs1 161829167 344198843 /nfs/dbraw/zinc/19/88/43/344198843.db2.gz RKZOTXFSXKXENA-IONNQARKSA-N 0 0 199.275 1.603 10 0 ADAERN OC[C@@H]1CCO[C@@H]1c1cncs1 161827905 344198898 /nfs/dbraw/zinc/19/88/98/344198898.db2.gz OENPMDFNZLHRPK-XPUUQOCRSA-N 0 0 185.248 1.213 10 0 ADAERN Cc1cncn1[C@H](C)C[S@](C)=O 161820887 344198483 /nfs/dbraw/zinc/19/84/83/344198483.db2.gz CWCKNCLZOWIZKD-PRHODGIISA-N 0 0 186.280 1.131 10 0 ADAERN Cc1cncn1[C@@H]1CCO[C@H]1C1CC1 161821353 344198514 /nfs/dbraw/zinc/19/85/14/344198514.db2.gz DNCFTLWOWGHBRS-MNOVXSKESA-N 0 0 192.262 1.932 10 0 ADAERN Cc1cncn1[C@H](C)C[S@@](C)=O 161821056 344198560 /nfs/dbraw/zinc/19/85/60/344198560.db2.gz CWCKNCLZOWIZKD-PELKAZGASA-N 0 0 186.280 1.131 10 0 ADAERN OC[C@@H]1CCO[C@H]1c1cncs1 161828051 344198587 /nfs/dbraw/zinc/19/85/87/344198587.db2.gz OENPMDFNZLHRPK-POYBYMJQSA-N 0 0 185.248 1.213 10 0 ADAERN C[C@@H]1C[C@H](c2nc(N)ns2)CO1 161831674 344198597 /nfs/dbraw/zinc/19/85/97/344198597.db2.gz KHMXODBVUDZLEG-UHNVWZDZSA-N 0 0 185.252 1.013 10 0 ADAERN Cc1cncn1[C@@H]1CCO[C@@H]1C1CC1 161821166 344198601 /nfs/dbraw/zinc/19/86/01/344198601.db2.gz DNCFTLWOWGHBRS-GHMZBOCLSA-N 0 0 192.262 1.932 10 0 ADAERN Cc1nnsc1[C@H](NN)C1CCC1 161829929 344198634 /nfs/dbraw/zinc/19/86/34/344198634.db2.gz DJZLQKQOUAWJRK-SSDOTTSWSA-N 0 0 198.295 1.151 10 0 ADAERN OC[C@@H]1CCCO[C@@H]1c1cncs1 161829024 344198650 /nfs/dbraw/zinc/19/86/50/344198650.db2.gz RKZOTXFSXKXENA-CBAPKCEASA-N 0 0 199.275 1.603 10 0 ADAERN Cc1cncn1[C@@H](C)C[S@@](C)=O 161820979 344198656 /nfs/dbraw/zinc/19/86/56/344198656.db2.gz CWCKNCLZOWIZKD-UFBFGSQYSA-N 0 0 186.280 1.131 10 0 ADAERN Cc1cncn1[C@H]1CCO[C@H]1C1CC1 161821456 344198679 /nfs/dbraw/zinc/19/86/79/344198679.db2.gz DNCFTLWOWGHBRS-QWRGUYRKSA-N 0 0 192.262 1.932 10 0 ADAERN C[C@H]1C[C@H](c2nc(N)ns2)CO1 161831809 344198714 /nfs/dbraw/zinc/19/87/14/344198714.db2.gz KHMXODBVUDZLEG-WHFBIAKZSA-N 0 0 185.252 1.013 10 0 ADAERN Cc1cncn1[C@@H](C)C[S@](C)=O 161820742 344198738 /nfs/dbraw/zinc/19/87/38/344198738.db2.gz CWCKNCLZOWIZKD-QPUJVOFHSA-N 0 0 186.280 1.131 10 0 ADAERN Cc1nnsc1[C@@H](NN)C1CCC1 161830082 344198743 /nfs/dbraw/zinc/19/87/43/344198743.db2.gz DJZLQKQOUAWJRK-ZETCQYMHSA-N 0 0 198.295 1.151 10 0 ADAERN Cc1cncn1C[C@@]1(C)CCOC1 161812324 344198779 /nfs/dbraw/zinc/19/87/79/344198779.db2.gz DTJCAHNLEMIETQ-SNVBAGLBSA-N 0 0 180.251 1.618 10 0 ADAERN Cc1cncn1[C@H]1CCO[C@@H]1C1CC1 161821273 344198785 /nfs/dbraw/zinc/19/87/85/344198785.db2.gz DNCFTLWOWGHBRS-WDEREUQCSA-N 0 0 192.262 1.932 10 0 ADAERN OC[C@H]1CCO[C@@H]1c1cncs1 161828190 344198797 /nfs/dbraw/zinc/19/87/97/344198797.db2.gz OENPMDFNZLHRPK-SVRRBLITSA-N 0 0 185.248 1.213 10 0 ADAERN OC[C@H]1CCCO[C@@H]1c1cncs1 161829287 344198811 /nfs/dbraw/zinc/19/88/11/344198811.db2.gz RKZOTXFSXKXENA-APPZFPTMSA-N 0 0 199.275 1.603 10 0 ADAERN Cc1cc(-c2nc(N)ns2)co1 161831557 344198839 /nfs/dbraw/zinc/19/88/39/344198839.db2.gz DZQUGJJJQPQNDD-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN OC[C@H]1CCCO[C@H]1c1cncs1 161829435 344198846 /nfs/dbraw/zinc/19/88/46/344198846.db2.gz RKZOTXFSXKXENA-VXNVDRBHSA-N 0 0 199.275 1.603 10 0 ADAERN Cc1cncn1C[C@]1(C)CCOC1 161812207 344198892 /nfs/dbraw/zinc/19/88/92/344198892.db2.gz DTJCAHNLEMIETQ-JTQLQIEISA-N 0 0 180.251 1.618 10 0 ADAERN OC[C@H]1CCO[C@H]1c1cncs1 161828337 344198895 /nfs/dbraw/zinc/19/88/95/344198895.db2.gz OENPMDFNZLHRPK-HTRCEHHLSA-N 0 0 185.248 1.213 10 0 ADAERN C[C@H]1C[C@@H](c2nc(N)ns2)CO1 161832047 344198916 /nfs/dbraw/zinc/19/89/16/344198916.db2.gz KHMXODBVUDZLEG-CRCLSJGQSA-N 0 0 185.252 1.013 10 0 ADAERN Cc1cc(-c2nnc(CN)s2)co1 161854701 344199344 /nfs/dbraw/zinc/19/93/44/344199344.db2.gz IJBAALMRPBJGAI-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN O=c1[nH]ccnc1NC1CCCC1 161844439 344199112 /nfs/dbraw/zinc/19/91/12/344199112.db2.gz QEGLLXDARWVFOW-UHFFFAOYSA-N 0 0 179.223 1.124 10 0 ADAERN OC[C@H]1C[C@@H]1c1nccs1 161846391 344199119 /nfs/dbraw/zinc/19/91/19/344199119.db2.gz QFGBBHHNGVTCGD-RITPCOANSA-N 0 0 155.222 1.239 10 0 ADAERN OC[C@@H]1C[C@@H]1c1nccs1 161846682 344199128 /nfs/dbraw/zinc/19/91/28/344199128.db2.gz QFGBBHHNGVTCGD-WDSKDSINSA-N 0 0 155.222 1.239 10 0 ADAERN Cc1cc(-c2cnc(CN)o2)co1 161835841 344199138 /nfs/dbraw/zinc/19/91/38/344199138.db2.gz PWEPBCBOYATZQT-UHFFFAOYSA-N 0 0 178.191 1.702 10 0 ADAERN C[C@@H]1C[C@H](c2cnc(CN)o2)CO1 161835990 344199184 /nfs/dbraw/zinc/19/91/84/344199184.db2.gz NOTMYHVKUUAYBW-RQJHMYQMSA-N 0 0 182.223 1.026 10 0 ADAERN O=C1CC(=O)CC(c2cncs2)C1 161846132 344199214 /nfs/dbraw/zinc/19/92/14/344199214.db2.gz XTIRWDNEBVFJCM-UHFFFAOYSA-N 0 0 195.243 1.549 10 0 ADAERN OC[C@@H]1C[C@H]1c1nccs1 161846519 344199249 /nfs/dbraw/zinc/19/92/49/344199249.db2.gz QFGBBHHNGVTCGD-NTSWFWBYSA-N 0 0 155.222 1.239 10 0 ADAERN C[C@H]1C[C@H](c2cnc(CN)o2)CO1 161836111 344199255 /nfs/dbraw/zinc/19/92/55/344199255.db2.gz NOTMYHVKUUAYBW-BQBZGAKWSA-N 0 0 182.223 1.026 10 0 ADAERN C[C@H]1C[C@@H](c2cnc(CN)o2)CO1 161836388 344199262 /nfs/dbraw/zinc/19/92/62/344199262.db2.gz NOTMYHVKUUAYBW-NKWVEPMBSA-N 0 0 182.223 1.026 10 0 ADAERN Cc1ccc(-n2ncc(N)n2)cc1F 161852921 344199292 /nfs/dbraw/zinc/19/92/92/344199292.db2.gz AIZBKVWZRZVTPI-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN C[C@@H]1C[C@@H](c2cnc(CN)o2)CO1 161836248 344199348 /nfs/dbraw/zinc/19/93/48/344199348.db2.gz NOTMYHVKUUAYBW-RNFRBKRXSA-N 0 0 182.223 1.026 10 0 ADAERN Cc1ccc(C)c(-n2ncc(N)n2)c1 161854162 344199351 /nfs/dbraw/zinc/19/93/51/344199351.db2.gz ZZASLVQOTRKRPA-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ccc(F)c(-n2ncc(N)n2)c1 161855234 344199411 /nfs/dbraw/zinc/19/94/11/344199411.db2.gz UZSKOSFHVLGZRL-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN O=c1[nH]ccnc1N1CCCCCC1 161840344 344199520 /nfs/dbraw/zinc/19/95/20/344199520.db2.gz RIORXAMDIPYWIT-UHFFFAOYSA-N 0 0 193.250 1.150 10 0 ADAERN Cc1cc(-c2cc(N)no2)co1 161870893 344199659 /nfs/dbraw/zinc/19/96/59/344199659.db2.gz XGKJFGSTHYDYMJ-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN CC(C)(C)CCNc1ncc[nH]c1=O 161889135 344199744 /nfs/dbraw/zinc/19/97/44/344199744.db2.gz QFJKAUBSQTUHHA-UHFFFAOYSA-N 0 0 195.266 1.618 10 0 ADAERN C[C@@H](CO)CNc1ccsc1 161901040 344199750 /nfs/dbraw/zinc/19/97/50/344199750.db2.gz PKEFUNDVTKHCEU-SSDOTTSWSA-N 0 0 171.265 1.788 10 0 ADAERN C[C@H](CO)CNc1ccsc1 161900904 344199863 /nfs/dbraw/zinc/19/98/63/344199863.db2.gz PKEFUNDVTKHCEU-ZETCQYMHSA-N 0 0 171.265 1.788 10 0 ADAERN O=c1[nH]ccnc1NC1CCCCC1 161878304 344199867 /nfs/dbraw/zinc/19/98/67/344199867.db2.gz NCQFCKZPULYQJS-UHFFFAOYSA-N 0 0 193.250 1.515 10 0 ADAERN CC(C)[C@@H](C)Nc1ncc[nH]c1=O 161880809 344199904 /nfs/dbraw/zinc/19/99/04/344199904.db2.gz KXMNFBVUYQGAHE-SSDOTTSWSA-N 0 0 181.239 1.226 10 0 ADAERN CC(C)(C)CNc1ncc[nH]c1=O 161895137 344199933 /nfs/dbraw/zinc/19/99/33/344199933.db2.gz FHHBCZLNCHCBGI-UHFFFAOYSA-N 0 0 181.239 1.228 10 0 ADAERN C[C@@H]1C[C@H](c2csc(N)n2)CO1 161901700 344199948 /nfs/dbraw/zinc/19/99/48/344199948.db2.gz QMHNGDJSZNNCMJ-RITPCOANSA-N 0 0 184.264 1.618 10 0 ADAERN C[C@H]1C[C@@H](c2csc(N)n2)CO1 161902097 344200046 /nfs/dbraw/zinc/20/00/46/344200046.db2.gz QMHNGDJSZNNCMJ-NTSWFWBYSA-N 0 0 184.264 1.618 10 0 ADAERN C[C@@H]1C[C@@H](c2nnc(Cl)o2)CO1 161907960 344200382 /nfs/dbraw/zinc/20/03/82/344200382.db2.gz AAFMUNNPAVWFBJ-RFZPGFLSSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@@H]1C[C@H](c2nnc(Cl)o2)CO1 161907695 344200497 /nfs/dbraw/zinc/20/04/97/344200497.db2.gz AAFMUNNPAVWFBJ-UHNVWZDZSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@H]1C[C@H](c2nnc(Cl)o2)CO1 161907835 344200499 /nfs/dbraw/zinc/20/04/99/344200499.db2.gz AAFMUNNPAVWFBJ-WHFBIAKZSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@H]1C[C@@H](c2nnc(Cl)o2)CO1 161908108 344200507 /nfs/dbraw/zinc/20/05/07/344200507.db2.gz AAFMUNNPAVWFBJ-CRCLSJGQSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2ccco2)CO1 161978508 344201346 /nfs/dbraw/zinc/20/13/46/344201346.db2.gz GFINLJHEQAHVIB-JGVFFNPUSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2cc[nH]c2)CO1 161982034 344201377 /nfs/dbraw/zinc/20/13/77/344201377.db2.gz NGZCWFQZTHMLDZ-APPZFPTMSA-N 0 0 179.219 1.622 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2ccc[nH]2)CO1 161981878 344201432 /nfs/dbraw/zinc/20/14/32/344201432.db2.gz CFBDCMMUUKDYKV-JGVFFNPUSA-N 0 0 179.219 1.622 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2ccco2)CO1 161978294 344201447 /nfs/dbraw/zinc/20/14/47/344201447.db2.gz GFINLJHEQAHVIB-YUMQZZPRSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2cc[nH]c2)CO1 161982155 344201469 /nfs/dbraw/zinc/20/14/69/344201469.db2.gz NGZCWFQZTHMLDZ-CBAPKCEASA-N 0 0 179.219 1.622 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2ccco2)CO1 161978397 344201510 /nfs/dbraw/zinc/20/15/10/344201510.db2.gz GFINLJHEQAHVIB-HTQZYQBOSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2ccc[nH]2)CO1 161981757 344201541 /nfs/dbraw/zinc/20/15/41/344201541.db2.gz CFBDCMMUUKDYKV-HTQZYQBOSA-N 0 0 179.219 1.622 10 0 ADAERN CN[C@H](c1cnccn1)C(F)(F)F 161957424 344201579 /nfs/dbraw/zinc/20/15/79/344201579.db2.gz PYWRKYXVSMNZHM-ZCFIWIBFSA-N 0 0 191.156 1.299 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2ccco2)CO1 161978184 344201589 /nfs/dbraw/zinc/20/15/89/344201589.db2.gz GFINLJHEQAHVIB-SFYZADRCSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2ccc[nH]2)CO1 161981472 344201592 /nfs/dbraw/zinc/20/15/92/344201592.db2.gz CFBDCMMUUKDYKV-SFYZADRCSA-N 0 0 179.219 1.622 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2ccc[nH]2)CO1 161981600 344201595 /nfs/dbraw/zinc/20/15/95/344201595.db2.gz CFBDCMMUUKDYKV-YUMQZZPRSA-N 0 0 179.219 1.622 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2cc[nH]c2)CO1 161982273 344201623 /nfs/dbraw/zinc/20/16/23/344201623.db2.gz NGZCWFQZTHMLDZ-VXNVDRBHSA-N 0 0 179.219 1.622 10 0 ADAERN CN[C@@H](c1cnccn1)C(F)(F)F 161957309 344201641 /nfs/dbraw/zinc/20/16/41/344201641.db2.gz PYWRKYXVSMNZHM-LURJTMIESA-N 0 0 191.156 1.299 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2cc[nH]c2)CO1 161982376 344201657 /nfs/dbraw/zinc/20/16/57/344201657.db2.gz NGZCWFQZTHMLDZ-IONNQARKSA-N 0 0 179.219 1.622 10 0 ADAERN C[C@H](CO)C[C@H]1CCCC1=O 162013382 344202050 /nfs/dbraw/zinc/20/20/50/344202050.db2.gz UGUBDBIQQBWRAB-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H](CO)C[C@@H]1CCCC1=O 162013298 344202087 /nfs/dbraw/zinc/20/20/87/344202087.db2.gz UGUBDBIQQBWRAB-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN CCC(=O)CC[C@@H](C)CO 162012136 344202089 /nfs/dbraw/zinc/20/20/89/344202089.db2.gz NHLIYALTYIRVLS-SSDOTTSWSA-N 0 0 144.214 1.374 10 0 ADAERN CCC(=O)CC[C@H](C)CO 162012265 344202111 /nfs/dbraw/zinc/20/21/11/344202111.db2.gz NHLIYALTYIRVLS-ZETCQYMHSA-N 0 0 144.214 1.374 10 0 ADAERN C[C@@H](CO)C[C@H]1CCCC1=O 162013470 344202177 /nfs/dbraw/zinc/20/21/77/344202177.db2.gz UGUBDBIQQBWRAB-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H](CO)C[C@@H]1CCCC1=O 162013201 344202189 /nfs/dbraw/zinc/20/21/89/344202189.db2.gz UGUBDBIQQBWRAB-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN COc1ccc(OC2COC2)c(N)c1 162007562 344202269 /nfs/dbraw/zinc/20/22/69/344202269.db2.gz JRQDNNWSVHKTKZ-UHFFFAOYSA-N 0 0 195.218 1.055 10 0 ADAERN OC[C@H](O)CS[C@@H]1C=CCCC1 162063177 344202600 /nfs/dbraw/zinc/20/26/00/344202600.db2.gz PYMXTBBRECULDB-DTWKUNHWSA-N 0 0 188.292 1.182 10 0 ADAERN OC[C@@H](O)CS[C@H]1C=CCCC1 162062802 344202602 /nfs/dbraw/zinc/20/26/02/344202602.db2.gz PYMXTBBRECULDB-BDAKNGLRSA-N 0 0 188.292 1.182 10 0 ADAERN OC[C@@H](O)CS[C@@H]1C=CCCC1 162062910 344202627 /nfs/dbraw/zinc/20/26/27/344202627.db2.gz PYMXTBBRECULDB-RKDXNWHRSA-N 0 0 188.292 1.182 10 0 ADAERN Clc1cncc2nnc(C3CC3)n12 162059231 344202779 /nfs/dbraw/zinc/20/27/79/344202779.db2.gz CUSAKWPPENWLBR-UHFFFAOYSA-N 0 0 194.625 1.655 10 0 ADAERN CNc1cnccc1Cl 162068502 344203351 /nfs/dbraw/zinc/20/33/51/344203351.db2.gz ZFZIDHODYBNVRK-UHFFFAOYSA-N 0 0 142.589 1.777 10 0 ADAERN C[C@H](CO)Cn1ncc2ccccc21 162082021 344203389 /nfs/dbraw/zinc/20/33/89/344203389.db2.gz TTZRUOLYWVXJHY-VIFPVBQESA-N 0 0 190.246 1.665 10 0 ADAERN Cc1nn(C[C@H](C)CO)c(C)c1C 162080582 344203402 /nfs/dbraw/zinc/20/34/02/344203402.db2.gz QVGOQWDWVLPFIT-ZETCQYMHSA-N 0 0 182.267 1.437 10 0 ADAERN C[C@@H](CO)Cn1ncc2ccccc21 162082157 344203409 /nfs/dbraw/zinc/20/34/09/344203409.db2.gz TTZRUOLYWVXJHY-SECBINFHSA-N 0 0 190.246 1.665 10 0 ADAERN Cc1nn(C[C@@H](C)CO)c(C)c1C 162080441 344203450 /nfs/dbraw/zinc/20/34/50/344203450.db2.gz QVGOQWDWVLPFIT-SSDOTTSWSA-N 0 0 182.267 1.437 10 0 ADAERN CCn1cc(OCCSC)cn1 162083899 344203476 /nfs/dbraw/zinc/20/34/76/344203476.db2.gz KLXVRFVARPPULU-UHFFFAOYSA-N 0 0 186.280 1.645 10 0 ADAERN C[C@@H]1C[C@H](c2nnc(N)s2)CO1 162130697 344203556 /nfs/dbraw/zinc/20/35/56/344203556.db2.gz VMPVKEVQYYUIOY-UHNVWZDZSA-N 0 0 185.252 1.013 10 0 ADAERN CSCC(=O)[C@H]1CO[C@@H](C)C1 162118050 344203606 /nfs/dbraw/zinc/20/36/06/344203606.db2.gz OZJSYJFJKMZIIL-NKWVEPMBSA-N 0 0 174.265 1.344 10 0 ADAERN Cc1c(Cl)nn2c(C)nnc2c1C 162107888 344203611 /nfs/dbraw/zinc/20/36/11/344203611.db2.gz DPOOBDSRZWPEFV-UHFFFAOYSA-N 0 0 196.641 1.703 10 0 ADAERN Cc1nnc([C@H]2CO[C@H](C)C2)[nH]1 162144164 344203614 /nfs/dbraw/zinc/20/36/14/344203614.db2.gz CKRWHALQIAJWMI-IYSWYEEDSA-N 0 0 167.212 1.006 10 0 ADAERN CCc1nnc([C@@H]2CO[C@@H](C)C2)[nH]1 162144491 344203626 /nfs/dbraw/zinc/20/36/26/344203626.db2.gz BLEKDYPLBXIEMI-BQBZGAKWSA-N 0 0 181.239 1.260 10 0 ADAERN C[C@H]1C[C@H](c2nnc(N)s2)CO1 162130839 344203686 /nfs/dbraw/zinc/20/36/86/344203686.db2.gz VMPVKEVQYYUIOY-WHFBIAKZSA-N 0 0 185.252 1.013 10 0 ADAERN O=C1CSC[C@@H]1CC1CC1 162100982 344203692 /nfs/dbraw/zinc/20/36/92/344203692.db2.gz QWRUVAUTIXUQMA-ZETCQYMHSA-N 0 0 156.250 1.719 10 0 ADAERN CCc1nnc([C@@H]2CO[C@H](C)C2)[nH]1 162144731 344203728 /nfs/dbraw/zinc/20/37/28/344203728.db2.gz BLEKDYPLBXIEMI-RQJHMYQMSA-N 0 0 181.239 1.260 10 0 ADAERN CCc1nnc([C@H]2CO[C@@H](C)C2)[nH]1 162144392 344203759 /nfs/dbraw/zinc/20/37/59/344203759.db2.gz BLEKDYPLBXIEMI-NKWVEPMBSA-N 0 0 181.239 1.260 10 0 ADAERN CSCC(=O)[C@@H]1CO[C@H](C)C1 162117711 344203783 /nfs/dbraw/zinc/20/37/83/344203783.db2.gz OZJSYJFJKMZIIL-RQJHMYQMSA-N 0 0 174.265 1.344 10 0 ADAERN CSCC(=O)[C@@H]1CO[C@@H](C)C1 162117827 344203816 /nfs/dbraw/zinc/20/38/16/344203816.db2.gz OZJSYJFJKMZIIL-BQBZGAKWSA-N 0 0 174.265 1.344 10 0 ADAERN CSCC(=O)[C@H]1CO[C@H](C)C1 162117949 344203876 /nfs/dbraw/zinc/20/38/76/344203876.db2.gz OZJSYJFJKMZIIL-RNFRBKRXSA-N 0 0 174.265 1.344 10 0 ADAERN Cc1nnc([C@@H]2CO[C@H](C)C2)[nH]1 162144248 344203903 /nfs/dbraw/zinc/20/39/03/344203903.db2.gz CKRWHALQIAJWMI-VDTYLAMSSA-N 0 0 167.212 1.006 10 0 ADAERN CC(C)n1cc(OC2CC(O)C2)cn1 162116215 344203964 /nfs/dbraw/zinc/20/39/64/344203964.db2.gz WNKNGNKYOQCODK-UHFFFAOYSA-N 0 0 196.250 1.366 10 0 ADAERN Cc1nnc([C@H]2CO[C@@H](C)C2)[nH]1 162143990 344203984 /nfs/dbraw/zinc/20/39/84/344203984.db2.gz CKRWHALQIAJWMI-CAHLUQPWSA-N 0 0 167.212 1.006 10 0 ADAERN C[C@@H]1C[C@@H](c2nnc(N)s2)CO1 162130991 344204013 /nfs/dbraw/zinc/20/40/13/344204013.db2.gz VMPVKEVQYYUIOY-RFZPGFLSSA-N 0 0 185.252 1.013 10 0 ADAERN Cc1nnc([C@@H]2CO[C@@H](C)C2)[nH]1 162144076 344204022 /nfs/dbraw/zinc/20/40/22/344204022.db2.gz CKRWHALQIAJWMI-FSPLSTOPSA-N 0 0 167.212 1.006 10 0 ADAERN CCc1nnc([C@H]2CO[C@H](C)C2)[nH]1 162144607 344204038 /nfs/dbraw/zinc/20/40/38/344204038.db2.gz BLEKDYPLBXIEMI-RNFRBKRXSA-N 0 0 181.239 1.260 10 0 ADAERN O=C1CSC[C@H]1CC1CC1 162100880 344204045 /nfs/dbraw/zinc/20/40/45/344204045.db2.gz QWRUVAUTIXUQMA-SSDOTTSWSA-N 0 0 156.250 1.719 10 0 ADAERN Cc1c(Cl)nn2c(=O)[nH]nc2c1C 162104368 344204047 /nfs/dbraw/zinc/20/40/47/344204047.db2.gz RUTKEIXFWMGJKR-UHFFFAOYSA-N 0 0 198.613 1.100 10 0 ADAERN Cc1cc(C)c(C=O)cc1O 162106080 344204051 /nfs/dbraw/zinc/20/40/51/344204051.db2.gz UOSMXMNDUNVDON-UHFFFAOYSA-N 0 0 150.177 1.822 10 0 ADAERN C[C@H]1C[C@@H](c2nnc(N)s2)CO1 162131108 344204053 /nfs/dbraw/zinc/20/40/53/344204053.db2.gz VMPVKEVQYYUIOY-CRCLSJGQSA-N 0 0 185.252 1.013 10 0 ADAERN CCc1ccccc1-c1nc(N)no1 162169299 344204349 /nfs/dbraw/zinc/20/43/49/344204349.db2.gz DUQIKVMCFGGJME-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CC(CO)(C1CC1)C1CC1 162185529 344204786 /nfs/dbraw/zinc/20/47/86/344204786.db2.gz AWCHGMWVGVXUIM-UHFFFAOYSA-N 0 0 140.226 1.805 10 0 ADAERN CC(C)[C@H](CO)C1CC1 162178371 344204834 /nfs/dbraw/zinc/20/48/34/344204834.db2.gz BTOIYYMSSXSEPC-QMMMGPOBSA-N 0 0 128.215 1.661 10 0 ADAERN CC[C@@H](N)c1nc(N2CCCC2)no1 162192189 344204939 /nfs/dbraw/zinc/20/49/39/344204939.db2.gz JTKIEBAYYPQUQT-SSDOTTSWSA-N 0 0 196.254 1.080 10 0 ADAERN CC[C@H](N)c1nc(N2CCCC2)no1 162192073 344205002 /nfs/dbraw/zinc/20/50/02/344205002.db2.gz JTKIEBAYYPQUQT-ZETCQYMHSA-N 0 0 196.254 1.080 10 0 ADAERN C[C@H](O)c1ccn(-c2ccccc2)n1 162245812 344205189 /nfs/dbraw/zinc/20/51/89/344205189.db2.gz HHHFQCZSUPHFBN-VIFPVBQESA-N 0 0 188.230 1.926 10 0 ADAERN CCc1nnsc1[C@@H](O)C(C)C 162213891 344205209 /nfs/dbraw/zinc/20/52/09/344205209.db2.gz OFSKWAMWLMGMGN-ZETCQYMHSA-N 0 0 186.280 1.790 10 0 ADAERN CCc1nnsc1[C@H](O)C(C)C 162213765 344205262 /nfs/dbraw/zinc/20/52/62/344205262.db2.gz OFSKWAMWLMGMGN-SSDOTTSWSA-N 0 0 186.280 1.790 10 0 ADAERN O=C(c1cnsn1)C1CCC1 162220253 344205293 /nfs/dbraw/zinc/20/52/93/344205293.db2.gz OQUVOAMTGPAQBI-UHFFFAOYSA-N 0 0 168.221 1.521 10 0 ADAERN Cc1nn(C)c(C)c1C[C@@H](O)C(C)C 162209713 344205306 /nfs/dbraw/zinc/20/53/06/344205306.db2.gz GLIJDWOYCFZIDA-LLVKDONJSA-N 0 0 196.294 1.596 10 0 ADAERN CC(C)[C@H](O)c1csnn1 162213279 344205322 /nfs/dbraw/zinc/20/53/22/344205322.db2.gz PMJJNHTUEUJSJG-LURJTMIESA-N 0 0 158.226 1.228 10 0 ADAERN O=C(c1cnns1)C1CCC1 162221390 344205333 /nfs/dbraw/zinc/20/53/33/344205333.db2.gz ZSLQGGNFEITERL-UHFFFAOYSA-N 0 0 168.221 1.521 10 0 ADAERN CCn1nc(C)cc1[C@H](C)O 162249312 344205346 /nfs/dbraw/zinc/20/53/46/344205346.db2.gz VTEAQRMSFTZUJK-ZETCQYMHSA-N 0 0 154.213 1.265 10 0 ADAERN O=C(c1ccnnc1)C1CCC1 162224194 344205361 /nfs/dbraw/zinc/20/53/61/344205361.db2.gz KFQXRZOHTAEHHT-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN C[C@@H](O)c1ccn(-c2ccccc2)n1 162245903 344205363 /nfs/dbraw/zinc/20/53/63/344205363.db2.gz HHHFQCZSUPHFBN-SECBINFHSA-N 0 0 188.230 1.926 10 0 ADAERN CC(C)[C@@H](O)c1cnns1 162215892 344205366 /nfs/dbraw/zinc/20/53/66/344205366.db2.gz MKSRGBFBMAIWKY-ZCFIWIBFSA-N 0 0 158.226 1.228 10 0 ADAERN CCn1nc(C)cc1[C@@H](C)O 162249176 344205370 /nfs/dbraw/zinc/20/53/70/344205370.db2.gz VTEAQRMSFTZUJK-SSDOTTSWSA-N 0 0 154.213 1.265 10 0 ADAERN CC(C)[C@@H](O)c1cnsn1 162207610 344205373 /nfs/dbraw/zinc/20/53/73/344205373.db2.gz JARWFQBQVLSDRG-ZCFIWIBFSA-N 0 0 158.226 1.228 10 0 ADAERN C=CC(=O)Nc1cncc(Cl)n1 162218661 344205375 /nfs/dbraw/zinc/20/53/75/344205375.db2.gz NADXZJHDVBACOU-UHFFFAOYSA-N 0 0 183.598 1.255 10 0 ADAERN CC(C)[C@H](O)c1ccnnc1 162208117 344205377 /nfs/dbraw/zinc/20/53/77/344205377.db2.gz IWHOZZQQUCFURX-QMMMGPOBSA-N 0 0 152.197 1.166 10 0 ADAERN Cc1nnsc1[C@H](O)C(C)C 162208636 344205397 /nfs/dbraw/zinc/20/53/97/344205397.db2.gz UXSCKRYRDVUCHI-ZCFIWIBFSA-N 0 0 172.253 1.536 10 0 ADAERN C=CC(=O)Nc1cc(Cl)ccn1 162243950 344205412 /nfs/dbraw/zinc/20/54/12/344205412.db2.gz YSWBDLFUCPBJGQ-UHFFFAOYSA-N 0 0 182.610 1.860 10 0 ADAERN Cc1cc([C@@H](O)C(C)C)n(C)n1 162214392 344205414 /nfs/dbraw/zinc/20/54/14/344205414.db2.gz KKXZBPXZDGEGLA-VIFPVBQESA-N 0 0 168.240 1.418 10 0 ADAERN CSCCn1cccc(C)c1=O 162211587 344205423 /nfs/dbraw/zinc/20/54/23/344205423.db2.gz SZCSSJCFYOHILW-UHFFFAOYSA-N 0 0 183.276 1.520 10 0 ADAERN O[C@@H](c1cnsn1)C1CCCC1 162234799 344205426 /nfs/dbraw/zinc/20/54/26/344205426.db2.gz UMLMPCGBBMLAJT-MRVPVSSYSA-N 0 0 184.264 1.762 10 0 ADAERN O=C(c1csnn1)C1CCC1 162227989 344205428 /nfs/dbraw/zinc/20/54/28/344205428.db2.gz NXJXFTBDUDEXHO-UHFFFAOYSA-N 0 0 168.221 1.521 10 0 ADAERN Cc1cc([C@H](O)C(C)C)n(C)n1 162214273 344205438 /nfs/dbraw/zinc/20/54/38/344205438.db2.gz KKXZBPXZDGEGLA-SECBINFHSA-N 0 0 168.240 1.418 10 0 ADAERN Cc1cnc(C(=O)C2CCC2)cn1 162219821 344205441 /nfs/dbraw/zinc/20/54/41/344205441.db2.gz DUWVTMJLQMKVTL-UHFFFAOYSA-N 0 0 176.219 1.768 10 0 ADAERN C/C=C/C(=O)Nc1cncc(Cl)n1 162219606 344205444 /nfs/dbraw/zinc/20/54/44/344205444.db2.gz QZUUVSRWKNWCBF-NSCUHMNNSA-N 0 0 197.625 1.645 10 0 ADAERN CC(C)[C@@H](O)c1ccnnc1 162208250 344205446 /nfs/dbraw/zinc/20/54/46/344205446.db2.gz IWHOZZQQUCFURX-MRVPVSSYSA-N 0 0 152.197 1.166 10 0 ADAERN C[C@H](N)c1nc(N2CCCCC2)no1 162216363 344205453 /nfs/dbraw/zinc/20/54/53/344205453.db2.gz JTUZYPGFXCCWNP-ZETCQYMHSA-N 0 0 196.254 1.080 10 0 ADAERN O[C@H](c1cnsn1)C1CCCC1 162234926 344205474 /nfs/dbraw/zinc/20/54/74/344205474.db2.gz UMLMPCGBBMLAJT-QMMMGPOBSA-N 0 0 184.264 1.762 10 0 ADAERN CC(C)[C@H](O)c1cnns1 162215757 344205483 /nfs/dbraw/zinc/20/54/83/344205483.db2.gz MKSRGBFBMAIWKY-LURJTMIESA-N 0 0 158.226 1.228 10 0 ADAERN Cc1nnsc1[C@@H](O)C(C)C 162208748 344205489 /nfs/dbraw/zinc/20/54/89/344205489.db2.gz UXSCKRYRDVUCHI-LURJTMIESA-N 0 0 172.253 1.536 10 0 ADAERN Cc1cc([C@@H](O)C(C)C)c(C)nn1 162210809 344205493 /nfs/dbraw/zinc/20/54/93/344205493.db2.gz PBBQXNKOGOFZSW-JTQLQIEISA-N 0 0 180.251 1.783 10 0 ADAERN Cc1nn(C)c(C)c1C[C@H](O)C(C)C 162209600 344205495 /nfs/dbraw/zinc/20/54/95/344205495.db2.gz GLIJDWOYCFZIDA-NSHDSACASA-N 0 0 196.294 1.596 10 0 ADAERN Cc1nnsc1C(=O)C1CCC1 162222829 344205499 /nfs/dbraw/zinc/20/54/99/344205499.db2.gz HABXZSYDBHUTSH-UHFFFAOYSA-N 0 0 182.248 1.829 10 0 ADAERN CC(C)[C@H](O)c1cnsn1 162207496 344205507 /nfs/dbraw/zinc/20/55/07/344205507.db2.gz JARWFQBQVLSDRG-LURJTMIESA-N 0 0 158.226 1.228 10 0 ADAERN CC(C)[C@@H](O)c1csnn1 162213401 344205516 /nfs/dbraw/zinc/20/55/16/344205516.db2.gz PMJJNHTUEUJSJG-ZCFIWIBFSA-N 0 0 158.226 1.228 10 0 ADAERN CCc1nnsc1[C@@H](C)O 162264266 344205633 /nfs/dbraw/zinc/20/56/33/344205633.db2.gz ZWKGVEMBZVNPER-SCSAIBSYSA-N 0 0 158.226 1.154 10 0 ADAERN C[C@@H](O)[C@@]1(C)CCCS1 162276770 344205692 /nfs/dbraw/zinc/20/56/92/344205692.db2.gz LKQUCGQHOMZLEI-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN C[C@@H]1C[C@H]([C@H](O)c2ccc[nH]2)CO1 162295274 344205697 /nfs/dbraw/zinc/20/56/97/344205697.db2.gz KHEVTYSGQDCTNC-WEDXCCLWSA-N 0 0 181.235 1.473 10 0 ADAERN S=c1nc(N2CCCCCC2)[nH]o1 162277131 344205707 /nfs/dbraw/zinc/20/57/07/344205707.db2.gz YXDGMUCTFBKAKW-UHFFFAOYSA-N 0 0 199.279 1.739 10 0 ADAERN CCc1nnsc1[C@H](C)O 162264386 344205720 /nfs/dbraw/zinc/20/57/20/344205720.db2.gz ZWKGVEMBZVNPER-BYPYZUCNSA-N 0 0 158.226 1.154 10 0 ADAERN C[C@@H]1C[C@@H]([C@H](O)c2ccc[nH]2)CO1 162295532 344205727 /nfs/dbraw/zinc/20/57/27/344205727.db2.gz KHEVTYSGQDCTNC-MRTMQBJTSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@@H]1C[C@@H]([C@H](O)c2cc[nH]c2)CO1 162296089 344205740 /nfs/dbraw/zinc/20/57/40/344205740.db2.gz JIEIDRFDDZGVTC-SZEHBUNVSA-N 0 0 181.235 1.473 10 0 ADAERN CCCc1nnsc1[C@H](C)O 162270040 344205746 /nfs/dbraw/zinc/20/57/46/344205746.db2.gz NNISJNTYAPGCLM-YFKPBYRVSA-N 0 0 172.253 1.544 10 0 ADAERN C[C@@H]1C[C@H]([C@H](O)c2cc[nH]c2)CO1 162295807 344205864 /nfs/dbraw/zinc/20/58/64/344205864.db2.gz JIEIDRFDDZGVTC-FKTZTGRPSA-N 0 0 181.235 1.473 10 0 ADAERN CCCc1nnsc1[C@@H](C)O 162269946 344205791 /nfs/dbraw/zinc/20/57/91/344205791.db2.gz NNISJNTYAPGCLM-RXMQYKEDSA-N 0 0 172.253 1.544 10 0 ADAERN C[C@@H](O)[C@]1(C)CCCS1 162276582 344205815 /nfs/dbraw/zinc/20/58/15/344205815.db2.gz LKQUCGQHOMZLEI-RQJHMYQMSA-N 0 0 146.255 1.653 10 0 ADAERN C[C@@H](O)c1nc(N2CCCCC2)no1 162299721 344205877 /nfs/dbraw/zinc/20/58/77/344205877.db2.gz SFOZSHVDGJPJBV-SSDOTTSWSA-N 0 0 197.238 1.113 10 0 ADAERN C[C@H](O)c1cccc2nccnc12 162266859 344205886 /nfs/dbraw/zinc/20/58/86/344205886.db2.gz FKRZNZYDXFPADP-ZETCQYMHSA-N 0 0 174.203 1.683 10 0 ADAERN C[C@H](O)[C@@]1(C)CCCS1 162276648 344205903 /nfs/dbraw/zinc/20/59/03/344205903.db2.gz LKQUCGQHOMZLEI-NKWVEPMBSA-N 0 0 146.255 1.653 10 0 ADAERN C[C@@H](CO)Sc1cc(N)ccn1 162331954 344205911 /nfs/dbraw/zinc/20/59/11/344205911.db2.gz CKWJUWGUDUWJLR-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN CCN(CC)c1nc(=S)o[nH]1 162276428 344205923 /nfs/dbraw/zinc/20/59/23/344205923.db2.gz CMMVQCVGHWZEQF-UHFFFAOYSA-N 0 0 173.241 1.205 10 0 ADAERN C[C@H](CO)Sc1cc(N)ccn1 162332088 344205935 /nfs/dbraw/zinc/20/59/35/344205935.db2.gz CKWJUWGUDUWJLR-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN C[C@H](O)[C@]1(C)CCCS1 162276482 344205944 /nfs/dbraw/zinc/20/59/44/344205944.db2.gz LKQUCGQHOMZLEI-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN Cc1ccc(-c2nsc(N)n2)cn1 162309879 344205947 /nfs/dbraw/zinc/20/59/47/344205947.db2.gz LMNOQNWPSBBDIN-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@@H](O)c1cccc2nccnc12 162266971 344205964 /nfs/dbraw/zinc/20/59/64/344205964.db2.gz FKRZNZYDXFPADP-SSDOTTSWSA-N 0 0 174.203 1.683 10 0 ADAERN C[C@H](O)c1nc(N2CCCCC2)no1 162299581 344205978 /nfs/dbraw/zinc/20/59/78/344205978.db2.gz SFOZSHVDGJPJBV-ZETCQYMHSA-N 0 0 197.238 1.113 10 0 ADAERN S=c1nc(N2CCCCC2)[nH]o1 162276692 344206006 /nfs/dbraw/zinc/20/60/06/344206006.db2.gz BFYJBRHGQNNWBE-UHFFFAOYSA-N 0 0 185.252 1.349 10 0 ADAERN Cc1ccnc(S[C@H](C)CO)c1N 162353316 344206297 /nfs/dbraw/zinc/20/62/97/344206297.db2.gz QHNNYUNWABWYFY-SSDOTTSWSA-N 0 0 198.291 1.445 10 0 ADAERN COC(=N)c1ccc(C)nc1 162334338 344206186 /nfs/dbraw/zinc/20/61/86/344206186.db2.gz QWPFHJGGHPMDRZ-UHFFFAOYSA-N 0 0 150.181 1.362 10 0 ADAERN Cc1ccnc(S[C@@H](C)CO)c1N 162353163 344206275 /nfs/dbraw/zinc/20/62/75/344206275.db2.gz QHNNYUNWABWYFY-ZETCQYMHSA-N 0 0 198.291 1.445 10 0 ADAERN CC(C)OCC(=O)N[C@H](C)C(C)C 162345480 344206277 /nfs/dbraw/zinc/20/62/77/344206277.db2.gz YTXXFTPWQPMBHV-SECBINFHSA-N 0 0 187.283 1.572 10 0 ADAERN C[C@H](CO)Sc1ccncc1N 162343233 344206310 /nfs/dbraw/zinc/20/63/10/344206310.db2.gz FBXMANFDEIAPIF-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN Cc1ccc([C@H]2NCCS2)cn1 162352535 344206323 /nfs/dbraw/zinc/20/63/23/344206323.db2.gz GPSOPFYUWKZJQT-VIFPVBQESA-N 0 0 180.276 1.725 10 0 ADAERN Cc1ccc([C@@H]2NCCS2)cn1 162352427 344206366 /nfs/dbraw/zinc/20/63/66/344206366.db2.gz GPSOPFYUWKZJQT-SECBINFHSA-N 0 0 180.276 1.725 10 0 ADAERN C[C@H](CO)Sc1ccc(N)cn1 162336368 344206391 /nfs/dbraw/zinc/20/63/91/344206391.db2.gz CLLVDYIQHGBXBB-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN C[C@@H](CO)Sc1ccc(N)cn1 162336241 344206432 /nfs/dbraw/zinc/20/64/32/344206432.db2.gz CLLVDYIQHGBXBB-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN CC(C)OCC(=O)N[C@@H](C)C(C)C 162345618 344206461 /nfs/dbraw/zinc/20/64/61/344206461.db2.gz YTXXFTPWQPMBHV-VIFPVBQESA-N 0 0 187.283 1.572 10 0 ADAERN Cc1nc(S[C@H](C)CO)ccc1N 162346787 344206475 /nfs/dbraw/zinc/20/64/75/344206475.db2.gz QWLPQXUDHDUEBH-ZCFIWIBFSA-N 0 0 198.291 1.445 10 0 ADAERN C[C@@H](CO)Sc1ccncc1N 162343118 344206503 /nfs/dbraw/zinc/20/65/03/344206503.db2.gz FBXMANFDEIAPIF-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN CCOC(=N)c1ccc(C)nc1 162334475 344206504 /nfs/dbraw/zinc/20/65/04/344206504.db2.gz HZERWMTYWRKZQK-UHFFFAOYSA-N 0 0 164.208 1.752 10 0 ADAERN Cc1nc(S[C@@H](C)CO)ccc1N 162346668 344206520 /nfs/dbraw/zinc/20/65/20/344206520.db2.gz QWLPQXUDHDUEBH-LURJTMIESA-N 0 0 198.291 1.445 10 0 ADAERN C[C@H]1C[C@@H](c2nc(Cl)no2)CO1 162356641 344206760 /nfs/dbraw/zinc/20/67/60/344206760.db2.gz UBLUKZWBLJXWNL-CRCLSJGQSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@@H]1C[C@H](c2nc(Cl)no2)CO1 162356234 344206767 /nfs/dbraw/zinc/20/67/67/344206767.db2.gz UBLUKZWBLJXWNL-UHNVWZDZSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@H]1C[C@H](c2nc(Cl)no2)CO1 162356362 344206798 /nfs/dbraw/zinc/20/67/98/344206798.db2.gz UBLUKZWBLJXWNL-WHFBIAKZSA-N 0 0 188.614 1.615 10 0 ADAERN CC(C)OCC(=O)Nc1cnoc1 162370307 344207043 /nfs/dbraw/zinc/20/70/43/344207043.db2.gz ZNRQGNRSLHUMBV-UHFFFAOYSA-N 0 0 184.195 1.038 10 0 ADAERN C[C@@H]1C[C@@H](c2nc(Cl)no2)CO1 162356505 344207073 /nfs/dbraw/zinc/20/70/73/344207073.db2.gz UBLUKZWBLJXWNL-RFZPGFLSSA-N 0 0 188.614 1.615 10 0 ADAERN Nc1ncc([C@@H]2CCCOC2)s1 162386057 344207337 /nfs/dbraw/zinc/20/73/37/344207337.db2.gz ZLUWUTUNXMYZEG-ZCFIWIBFSA-N 0 0 184.264 1.619 10 0 ADAERN Cc1nn(C)c2c1NC(=O)CCS2 162406599 344207347 /nfs/dbraw/zinc/20/73/47/344207347.db2.gz XSKBHWVWDQDETB-UHFFFAOYSA-N 0 0 197.263 1.163 10 0 ADAERN Cc1nccc(-c2cnc(N)s2)n1 162386757 344207366 /nfs/dbraw/zinc/20/73/66/344207366.db2.gz URJRSNHMMJWILP-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC(C)OCC(=O)N1CCCC1(C)C 162382061 344207419 /nfs/dbraw/zinc/20/74/19/344207419.db2.gz DQQLPEYRUWABCH-UHFFFAOYSA-N 0 0 199.294 1.812 10 0 ADAERN CCn1nc(C)c2c1SCCN2 162410776 344207452 /nfs/dbraw/zinc/20/74/52/344207452.db2.gz QDPCJRCBWQEXAE-UHFFFAOYSA-N 0 0 183.280 1.729 10 0 ADAERN Cc1ccc2c(n1)SCCN2 162410007 344207469 /nfs/dbraw/zinc/20/74/69/344207469.db2.gz WEXVXXIUAPEAIN-UHFFFAOYSA-N 0 0 166.249 1.908 10 0 ADAERN CNc1ncc(-c2cnn(C)c2)s1 162407308 344207509 /nfs/dbraw/zinc/20/75/09/344207509.db2.gz TZSCHGIROVESAD-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN Nc1ncc([C@H]2CCCOC2)s1 162386128 344207518 /nfs/dbraw/zinc/20/75/18/344207518.db2.gz ZLUWUTUNXMYZEG-LURJTMIESA-N 0 0 184.264 1.619 10 0 ADAERN Nc1ncc(-c2ccncn2)s1 162387981 344207555 /nfs/dbraw/zinc/20/75/55/344207555.db2.gz JPAGFEDOUUYBCI-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Cn1cncc1-c1cnc(N)s1 162388990 344207565 /nfs/dbraw/zinc/20/75/65/344207565.db2.gz PCICQNXOYAFRLQ-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cc1ccc2c(n1)SCCC(=O)N2 162406444 344207567 /nfs/dbraw/zinc/20/75/67/344207567.db2.gz LJSUHHOBBSRICO-UHFFFAOYSA-N 0 0 194.259 1.824 10 0 ADAERN CCn1cncc1-c1cnc(N)s1 162392030 344207577 /nfs/dbraw/zinc/20/75/77/344207577.db2.gz WNOZOXQAJGZKDZ-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN COc1ccc2c(n1)SCCN2 162411270 344207584 /nfs/dbraw/zinc/20/75/84/344207584.db2.gz IHEAVNLMETYTKZ-UHFFFAOYSA-N 0 0 182.248 1.608 10 0 ADAERN COc1ncnc2c1NCCS2 162409498 344207602 /nfs/dbraw/zinc/20/76/02/344207602.db2.gz NXUGECCHCVOIIW-UHFFFAOYSA-N 0 0 183.236 1.003 10 0 ADAERN Cc1ccc([C@H](N)C(F)F)cn1 162411391 344207607 /nfs/dbraw/zinc/20/76/07/344207607.db2.gz QFJJEJMFQNMLEI-ZETCQYMHSA-N 0 0 172.178 1.655 10 0 ADAERN CNc1ncc(-c2cncn2C)s1 162400726 344207618 /nfs/dbraw/zinc/20/76/18/344207618.db2.gz CZCKSZQUPGKRTH-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN CNc1ncc(-c2ccncn2)s1 162397222 344207621 /nfs/dbraw/zinc/20/76/21/344207621.db2.gz XKEPAVXXNDCOGS-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN Cc1ccnc2c1NCCS2 162386565 344207623 /nfs/dbraw/zinc/20/76/23/344207623.db2.gz BOOSAYPVOMVXFL-UHFFFAOYSA-N 0 0 166.249 1.908 10 0 ADAERN Cc1cnc2c(c1)NC(=O)CCS2 162407592 344207640 /nfs/dbraw/zinc/20/76/40/344207640.db2.gz MLISXLATHSPYET-UHFFFAOYSA-N 0 0 194.259 1.824 10 0 ADAERN CCc1nn(C)c2c1NC(=O)CS2 162404894 344207658 /nfs/dbraw/zinc/20/76/58/344207658.db2.gz MDLHSHBUBJVELK-UHFFFAOYSA-N 0 0 197.263 1.027 10 0 ADAERN CCc1nn(C)c2c1NCCS2 162409360 344207661 /nfs/dbraw/zinc/20/76/61/344207661.db2.gz HCCIKYUHRXRROV-UHFFFAOYSA-N 0 0 183.280 1.500 10 0 ADAERN Cc1ccnc2c1NC(=O)CCS2 162406032 344207666 /nfs/dbraw/zinc/20/76/66/344207666.db2.gz IGFIZBHPMMIHHB-UHFFFAOYSA-N 0 0 194.259 1.824 10 0 ADAERN C[C@@H]1CNc2cccnc2S1 162423998 344207944 /nfs/dbraw/zinc/20/79/44/344207944.db2.gz MDYTXVGBYJHJOL-ZCFIWIBFSA-N 0 0 166.249 1.988 10 0 ADAERN COc1ncnc2c1NC[C@@H](C)S2 162423510 344207979 /nfs/dbraw/zinc/20/79/79/344207979.db2.gz ZIGCWSFUHQLANJ-RXMQYKEDSA-N 0 0 197.263 1.391 10 0 ADAERN CC(C)(C)C(=O)N1CC[C@H](CCO)C1 162411685 344207987 /nfs/dbraw/zinc/20/79/87/344207987.db2.gz NKDPUOBGGUHRBO-SECBINFHSA-N 0 0 199.294 1.263 10 0 ADAERN CCc1nn(C)c2c1NCCCS2 162412771 344207989 /nfs/dbraw/zinc/20/79/89/344207989.db2.gz HKWFEZSNGWYTIA-UHFFFAOYSA-N 0 0 197.307 1.890 10 0 ADAERN C[C@H]1CNc2cccnc2S1 162424132 344208004 /nfs/dbraw/zinc/20/80/04/344208004.db2.gz MDYTXVGBYJHJOL-LURJTMIESA-N 0 0 166.249 1.988 10 0 ADAERN CCCc1nn(C)c2c1NCCS2 162411989 344208007 /nfs/dbraw/zinc/20/80/07/344208007.db2.gz HEIJOMHCKMPUOD-UHFFFAOYSA-N 0 0 197.307 1.890 10 0 ADAERN Cc1ccnc2c1NC(=O)[C@@H](C)S2 162418189 344208048 /nfs/dbraw/zinc/20/80/48/344208048.db2.gz LMJBTIZYXJRDLJ-ZCFIWIBFSA-N 0 0 194.259 1.823 10 0 ADAERN Cc1ccnc2c1NC(=O)[C@H](C)S2 162418068 344208050 /nfs/dbraw/zinc/20/80/50/344208050.db2.gz LMJBTIZYXJRDLJ-LURJTMIESA-N 0 0 194.259 1.823 10 0 ADAERN Cc1cnc2c(c1)NCCS2 162412137 344208056 /nfs/dbraw/zinc/20/80/56/344208056.db2.gz MGRPWEUEBUWIJW-UHFFFAOYSA-N 0 0 166.249 1.908 10 0 ADAERN CCc1nn(C)c2c1NC[C@H](C)S2 162423378 344208061 /nfs/dbraw/zinc/20/80/61/344208061.db2.gz GSSFIVGACDZRHE-LURJTMIESA-N 0 0 197.307 1.889 10 0 ADAERN COc1ncnc2c1NCCCS2 162412904 344208063 /nfs/dbraw/zinc/20/80/63/344208063.db2.gz OQTRKHNADNYZDO-UHFFFAOYSA-N 0 0 197.263 1.393 10 0 ADAERN COc1ncnc2c1NC[C@H](C)S2 162423610 344208065 /nfs/dbraw/zinc/20/80/65/344208065.db2.gz ZIGCWSFUHQLANJ-YFKPBYRVSA-N 0 0 197.263 1.391 10 0 ADAERN Cc1cnc2c(c1)NC(=O)[C@H](C)S2 162420465 344208100 /nfs/dbraw/zinc/20/81/00/344208100.db2.gz NHKDOVZVQZBKLJ-LURJTMIESA-N 0 0 194.259 1.823 10 0 ADAERN Cc1nn(C)c2c1NC[C@@H](C)S2 162428568 344208102 /nfs/dbraw/zinc/20/81/02/344208102.db2.gz MEGLIJFUBFHXFL-RXMQYKEDSA-N 0 0 183.280 1.635 10 0 ADAERN Cc1nn(C)c2c1NC[C@H](C)S2 162428685 344208109 /nfs/dbraw/zinc/20/81/09/344208109.db2.gz MEGLIJFUBFHXFL-YFKPBYRVSA-N 0 0 183.280 1.635 10 0 ADAERN Cc1ccncc1-c1ncc(N)cn1 162430842 344208409 /nfs/dbraw/zinc/20/84/09/344208409.db2.gz JBINPNKKJLYPAQ-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN COc1ccc2c(n1)S[C@@H](C)CN2 162429237 344208464 /nfs/dbraw/zinc/20/84/64/344208464.db2.gz BGYNNTGMJBCSMX-LURJTMIESA-N 0 0 196.275 1.996 10 0 ADAERN COc1ccc2c(n1)S[C@H](C)CN2 162429090 344208488 /nfs/dbraw/zinc/20/84/88/344208488.db2.gz BGYNNTGMJBCSMX-ZCFIWIBFSA-N 0 0 196.275 1.996 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)O2)cn1 162442076 344208492 /nfs/dbraw/zinc/20/84/92/344208492.db2.gz AKLWBXRNHNWILT-MRVPVSSYSA-N 0 0 178.191 1.171 10 0 ADAERN CO[C@H](C)[C@@H](C)Nc1cnn(C)c1 162458115 344208509 /nfs/dbraw/zinc/20/85/09/344208509.db2.gz MVKOWLIYSGLYNT-HTQZYQBOSA-N 0 0 183.255 1.255 10 0 ADAERN C[C@@H]1CNc2cnccc2S1 162431821 344208511 /nfs/dbraw/zinc/20/85/11/344208511.db2.gz ZMCIWXDOGKRFOO-ZCFIWIBFSA-N 0 0 166.249 1.988 10 0 ADAERN Fc1cccc(NCc2c[nH]cn2)n1 162452317 344208518 /nfs/dbraw/zinc/20/85/18/344208518.db2.gz DEMASHAXVMSFGG-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN COC(=N)c1cnccc1C 162434962 344208534 /nfs/dbraw/zinc/20/85/34/344208534.db2.gz RXWPGXRITWZPOG-UHFFFAOYSA-N 0 0 150.181 1.362 10 0 ADAERN C[C@H]1CNc2cnccc2S1 162431932 344208538 /nfs/dbraw/zinc/20/85/38/344208538.db2.gz ZMCIWXDOGKRFOO-LURJTMIESA-N 0 0 166.249 1.988 10 0 ADAERN CO[C@@H](C)[C@H](C)Nc1cnn(C)c1 162458243 344208562 /nfs/dbraw/zinc/20/85/62/344208562.db2.gz MVKOWLIYSGLYNT-YUMQZZPRSA-N 0 0 183.255 1.255 10 0 ADAERN CO[C@@H](C)[C@@H](C)Nc1cnn(C)c1 162458379 344208571 /nfs/dbraw/zinc/20/85/71/344208571.db2.gz MVKOWLIYSGLYNT-SFYZADRCSA-N 0 0 183.255 1.255 10 0 ADAERN Fc1cccc(NC2COC2)n1 162449471 344208578 /nfs/dbraw/zinc/20/85/78/344208578.db2.gz AXSTYGJTJCLGIH-UHFFFAOYSA-N 0 0 168.171 1.031 10 0 ADAERN Cc1ccncc1-c1nsc(N)n1 162431239 344208585 /nfs/dbraw/zinc/20/85/85/344208585.db2.gz VSHRCCIJQGPJKU-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ccc([C@@H]2CNC(=O)O2)cn1 162441937 344208598 /nfs/dbraw/zinc/20/85/98/344208598.db2.gz AKLWBXRNHNWILT-QMMMGPOBSA-N 0 0 178.191 1.171 10 0 ADAERN Cc1ccc([C@@H]2C[C@H]2CO)cn1 162471873 344208937 /nfs/dbraw/zinc/20/89/37/344208937.db2.gz UPMJCMXWOMJOEH-UWVGGRQHSA-N 0 0 163.220 1.486 10 0 ADAERN Cc1ccc([C@H]2C[C@@H]2CO)cn1 162471747 344208948 /nfs/dbraw/zinc/20/89/48/344208948.db2.gz UPMJCMXWOMJOEH-NXEZZACHSA-N 0 0 163.220 1.486 10 0 ADAERN Cc1ccc([C@@H]2OCC[C@@H]2CO)cn1 162466678 344208974 /nfs/dbraw/zinc/20/89/74/344208974.db2.gz ANJXKXOOOSMPNH-MNOVXSKESA-N 0 0 193.246 1.460 10 0 ADAERN Cc1ccc([C@H]2C[C@H]2CO)cn1 162471994 344209014 /nfs/dbraw/zinc/20/90/14/344209014.db2.gz UPMJCMXWOMJOEH-VHSXEESVSA-N 0 0 163.220 1.486 10 0 ADAERN CNC(=O)[C@@]1(C)CCCS1 162508106 344209038 /nfs/dbraw/zinc/20/90/38/344209038.db2.gz ZTFSUCOBFADUSN-SSDOTTSWSA-N 0 0 159.254 1.018 10 0 ADAERN C[NH+](C)Cc1cccc(N)c1C(=O)[O-] 162478742 344209064 /nfs/dbraw/zinc/20/90/64/344209064.db2.gz IYUJPSDALAJXKM-UHFFFAOYSA-N 0 0 194.234 1.029 10 0 ADAERN CC(=O)CC(=O)Nc1cccc(F)n1 162484058 344209095 /nfs/dbraw/zinc/20/90/95/344209095.db2.gz WDRWSIGNGSPMGZ-UHFFFAOYSA-N 0 0 196.181 1.138 10 0 ADAERN Cc1ccc([C@@H]2OCC[C@H]2CO)cn1 162466438 344209146 /nfs/dbraw/zinc/20/91/46/344209146.db2.gz ANJXKXOOOSMPNH-QWRGUYRKSA-N 0 0 193.246 1.460 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H]2CO)cn1 162471613 344209148 /nfs/dbraw/zinc/20/91/48/344209148.db2.gz UPMJCMXWOMJOEH-ZJUUUORDSA-N 0 0 163.220 1.486 10 0 ADAERN C[C@H](CO)Sc1ncns1 162521256 344209320 /nfs/dbraw/zinc/20/93/20/344209320.db2.gz ILJKYYBFBALQHB-SCSAIBSYSA-N 0 0 176.266 1.011 10 0 ADAERN C[C@@H](CO)Sc1ncns1 162521126 344209372 /nfs/dbraw/zinc/20/93/72/344209372.db2.gz ILJKYYBFBALQHB-BYPYZUCNSA-N 0 0 176.266 1.011 10 0 ADAERN Cc1[nH]c(=O)sc1[C@@H](C)O 162521720 344209389 /nfs/dbraw/zinc/20/93/89/344209389.db2.gz VZFGPCDJAHTQJK-SCSAIBSYSA-N 0 0 159.210 1.210 10 0 ADAERN Cc1[nH]c(=O)sc1[C@H](C)O 162521844 344209478 /nfs/dbraw/zinc/20/94/78/344209478.db2.gz VZFGPCDJAHTQJK-BYPYZUCNSA-N 0 0 159.210 1.210 10 0 ADAERN C[C@]1(CO)CCCS1 162524059 344209506 /nfs/dbraw/zinc/20/95/06/344209506.db2.gz PTGGQMCXMMQUEZ-ZCFIWIBFSA-N 0 0 132.228 1.264 10 0 ADAERN Cc1nccnc1S[C@H](C)CO 162516897 344209526 /nfs/dbraw/zinc/20/95/26/344209526.db2.gz JPIVBYAHOQILRO-ZCFIWIBFSA-N 0 0 184.264 1.258 10 0 ADAERN Cc1c[nH]c(=O)n1C(C)C 162516513 344209530 /nfs/dbraw/zinc/20/95/30/344209530.db2.gz JDCFMWZLDAYDCG-UHFFFAOYSA-N 0 0 140.186 1.066 10 0 ADAERN CCCNC(=O)[C@@]1(C)CCCS1 162545367 344209821 /nfs/dbraw/zinc/20/98/21/344209821.db2.gz YGPBAYVIQGZBQU-SECBINFHSA-N 0 0 187.308 1.798 10 0 ADAERN CCCNC(=O)[C@]1(C)CCCS1 162545244 344209832 /nfs/dbraw/zinc/20/98/32/344209832.db2.gz YGPBAYVIQGZBQU-VIFPVBQESA-N 0 0 187.308 1.798 10 0 ADAERN C[C@@]1(C(=O)NC2CC2)CCCS1 162545121 344209852 /nfs/dbraw/zinc/20/98/52/344209852.db2.gz BIPSAKWKOVPKOH-VIFPVBQESA-N 0 0 185.292 1.551 10 0 ADAERN Cc1cncc(C(=O)C2CC2)c1 162557585 344209882 /nfs/dbraw/zinc/20/98/82/344209882.db2.gz WKQXIOKLQOBVJW-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN CCNC(=O)[C@@]1(C)CCCS1 162544635 344209956 /nfs/dbraw/zinc/20/99/56/344209956.db2.gz RWAIUFOYRUUSHH-MRVPVSSYSA-N 0 0 173.281 1.408 10 0 ADAERN CCNC(=O)[C@]1(C)CCCS1 162544511 344209961 /nfs/dbraw/zinc/20/99/61/344209961.db2.gz RWAIUFOYRUUSHH-QMMMGPOBSA-N 0 0 173.281 1.408 10 0 ADAERN CC(C)NC(=O)[C@@]1(C)CCCS1 162544366 344209994 /nfs/dbraw/zinc/20/99/94/344209994.db2.gz FVPOBANYDIPPQU-SECBINFHSA-N 0 0 187.308 1.797 10 0 ADAERN C[C@]1(C(=O)NC2CC2)CCCS1 162544979 344210050 /nfs/dbraw/zinc/21/00/50/344210050.db2.gz BIPSAKWKOVPKOH-SECBINFHSA-N 0 0 185.292 1.551 10 0 ADAERN CC(C)NC(=O)[C@]1(C)CCCS1 162544235 344210053 /nfs/dbraw/zinc/21/00/53/344210053.db2.gz FVPOBANYDIPPQU-VIFPVBQESA-N 0 0 187.308 1.797 10 0 ADAERN CCc1c[nH]c(=O)n1C(C)C 162582058 344210208 /nfs/dbraw/zinc/21/02/08/344210208.db2.gz LYJUNLAVBDAGBD-UHFFFAOYSA-N 0 0 154.213 1.320 10 0 ADAERN CCCn1c(CC)c[nH]c1=O 162582184 344210238 /nfs/dbraw/zinc/21/02/38/344210238.db2.gz TZQVRZPEMKJXOL-UHFFFAOYSA-N 0 0 154.213 1.149 10 0 ADAERN O=C1CCN([C@@H]2C=CCCC2)CC1 162570221 344210287 /nfs/dbraw/zinc/21/02/87/344210287.db2.gz XRCBWCWWFVPWEG-SNVBAGLBSA-N 0 0 179.263 1.760 10 0 ADAERN CC(C)c1c[nH]c(=O)n1C1CC1 162582307 344210299 /nfs/dbraw/zinc/21/02/99/344210299.db2.gz FFMBKXODQFRQHP-UHFFFAOYSA-N 0 0 166.224 1.635 10 0 ADAERN CCc1c[nH]c(=O)n1C(C)(C)C 162581915 344210302 /nfs/dbraw/zinc/21/03/02/344210302.db2.gz PIRBBILAKMWRCG-UHFFFAOYSA-N 0 0 168.240 1.494 10 0 ADAERN CC1(C)Oc2cnc(C=O)cc2O1 162573734 344210318 /nfs/dbraw/zinc/21/03/18/344210318.db2.gz UGZHOPSQSNDDOZ-UHFFFAOYSA-N 0 0 179.175 1.401 10 0 ADAERN CCn1c(C(C)(C)C)c[nH]c1=O 162583947 344210331 /nfs/dbraw/zinc/21/03/31/344210331.db2.gz RRLKUZGYHNUFKS-UHFFFAOYSA-N 0 0 168.240 1.494 10 0 ADAERN CCn1c(C(C)C)c[nH]c1=O 162582461 344210344 /nfs/dbraw/zinc/21/03/44/344210344.db2.gz ZXYVBVDCQXJGBB-UHFFFAOYSA-N 0 0 154.213 1.320 10 0 ADAERN Cc1cn(C(C)(C)C)c(=O)[nH]1 162583818 344210347 /nfs/dbraw/zinc/21/03/47/344210347.db2.gz YFHGSRBNFGFWKS-UHFFFAOYSA-N 0 0 154.213 1.240 10 0 ADAERN COC(OC)c1csc(=O)[nH]1 162593469 344210351 /nfs/dbraw/zinc/21/03/51/344210351.db2.gz NRACUHKUMCLSRX-UHFFFAOYSA-N 0 0 175.209 1.140 10 0 ADAERN Cc1c[nH]c(=O)n1C1CCCC1 162583122 344210390 /nfs/dbraw/zinc/21/03/90/344210390.db2.gz QCMZBPCQCMPUQS-UHFFFAOYSA-N 0 0 166.224 1.600 10 0 ADAERN O=C1CCCc2sc(=O)[nH]c21 162593659 344210403 /nfs/dbraw/zinc/21/04/03/344210403.db2.gz WPOWNSGPHZCDSH-UHFFFAOYSA-N 0 0 169.205 1.368 10 0 ADAERN CC(C)C(=O)C(C)(F)F 162587911 344210409 /nfs/dbraw/zinc/21/04/09/344210409.db2.gz VUAHVILPCWEPDT-UHFFFAOYSA-N 0 0 136.141 1.867 10 0 ADAERN Cc1c[nH]c(=O)n1C(C)(C)C 162583231 344210413 /nfs/dbraw/zinc/21/04/13/344210413.db2.gz RDMBSHBAXSYZOT-UHFFFAOYSA-N 0 0 154.213 1.240 10 0 ADAERN O=C1CCN([C@H]2C=CCCC2)CC1 162570097 344210452 /nfs/dbraw/zinc/21/04/52/344210452.db2.gz XRCBWCWWFVPWEG-JTQLQIEISA-N 0 0 179.263 1.760 10 0 ADAERN CC(C)c1c[nH]c(=O)n1C(C)C 162582586 344210464 /nfs/dbraw/zinc/21/04/64/344210464.db2.gz UXMLIXHHIPQLHJ-UHFFFAOYSA-N 0 0 168.240 1.881 10 0 ADAERN O=C(Cc1ncc[nH]1)C(F)(F)F 162576162 344210472 /nfs/dbraw/zinc/21/04/72/344210472.db2.gz DDCSPXCYSJXYAW-UHFFFAOYSA-N 0 0 178.113 1.084 10 0 ADAERN COc1nc2cc(O)ccc2[nH]1 162576718 344210494 /nfs/dbraw/zinc/21/04/94/344210494.db2.gz NIMZRWWAVQTWEE-UHFFFAOYSA-N 0 0 164.164 1.277 10 0 ADAERN CCc1c[nH]c(=O)n1C1CC1 162581656 344210497 /nfs/dbraw/zinc/21/04/97/344210497.db2.gz HMNVIZUFGYTPHC-UHFFFAOYSA-N 0 0 152.197 1.074 10 0 ADAERN C[C@@H](Cc1cccc(F)c1)NN 162589538 344210514 /nfs/dbraw/zinc/21/05/14/344210514.db2.gz QMUNERRMMJHDLL-ZETCQYMHSA-N 0 0 168.215 1.220 10 0 ADAERN CCCCn1cc(C)[nH]c1=O 162583636 344210515 /nfs/dbraw/zinc/21/05/15/344210515.db2.gz OJKRHBFLGXCZAP-UHFFFAOYSA-N 0 0 154.213 1.285 10 0 ADAERN O=c1[nH]c2c(s1)CCC[C@H]2O 162596481 344210739 /nfs/dbraw/zinc/21/07/39/344210739.db2.gz CZZCLTIQSNROJH-SCSAIBSYSA-N 0 0 171.221 1.218 10 0 ADAERN C[C@@]1(c2nnc(N)o2)CCCS1 162598633 344210765 /nfs/dbraw/zinc/21/07/65/344210765.db2.gz OAQPUIXGMSRFPT-ZETCQYMHSA-N 0 0 185.252 1.394 10 0 ADAERN O=c1[nH]c2c(s1)CCC[C@@H]2O 162596607 344210800 /nfs/dbraw/zinc/21/08/00/344210800.db2.gz CZZCLTIQSNROJH-BYPYZUCNSA-N 0 0 171.221 1.218 10 0 ADAERN C[C@]1(c2nnc(N)o2)CCCS1 162598546 344210801 /nfs/dbraw/zinc/21/08/01/344210801.db2.gz OAQPUIXGMSRFPT-SSDOTTSWSA-N 0 0 185.252 1.394 10 0 ADAERN O=c1[nH]c2c(s1)[C@@H](O)CCC2 162596338 344210824 /nfs/dbraw/zinc/21/08/24/344210824.db2.gz ZUGCFCOJTHQWER-YFKPBYRVSA-N 0 0 171.221 1.218 10 0 ADAERN Cc1nnc([C@]2(C)CCCS2)[nH]1 162603766 344210853 /nfs/dbraw/zinc/21/08/53/344210853.db2.gz USIDYWHKXISQCJ-QMMMGPOBSA-N 0 0 183.280 1.855 10 0 ADAERN C[C@@]1(c2nc(N)n[nH]2)CCCS1 162598424 344210874 /nfs/dbraw/zinc/21/08/74/344210874.db2.gz OZHOYFQWBPAVSB-ZETCQYMHSA-N 0 0 184.268 1.129 10 0 ADAERN O=c1[nH]c2c(s1)[C@H](O)CCC2 162596231 344210926 /nfs/dbraw/zinc/21/09/26/344210926.db2.gz ZUGCFCOJTHQWER-RXMQYKEDSA-N 0 0 171.221 1.218 10 0 ADAERN C[C@@]1(c2nc(N)no2)CCCS1 162604965 344210947 /nfs/dbraw/zinc/21/09/47/344210947.db2.gz SKYNLGGTARBJTG-ZETCQYMHSA-N 0 0 185.252 1.394 10 0 ADAERN C[C@]1(c2nc(N)no2)CCCS1 162604839 344210954 /nfs/dbraw/zinc/21/09/54/344210954.db2.gz SKYNLGGTARBJTG-SSDOTTSWSA-N 0 0 185.252 1.394 10 0 ADAERN C[C@H](CO)S[C@H]1CCC[C@@H]1O 162631596 344211158 /nfs/dbraw/zinc/21/11/58/344211158.db2.gz SRWUSRBMUPBCDS-CSMHCCOUSA-N 0 0 176.281 1.014 10 0 ADAERN CN1CCc2c(C=O)csc2C1 162622729 344211245 /nfs/dbraw/zinc/21/12/45/344211245.db2.gz RZWJYRXKGLYJMU-UHFFFAOYSA-N 0 0 181.260 1.549 10 0 ADAERN C[C@@H](CO)SC(F)F 162629745 344211351 /nfs/dbraw/zinc/21/13/51/344211351.db2.gz OVEKPFMTLNHYFX-VKHMYHEASA-N 0 0 142.170 1.323 10 0 ADAERN C[C@H](CO)SCCc1ccccn1 162655818 344211660 /nfs/dbraw/zinc/21/16/60/344211660.db2.gz SNLQLWKAJPLKEK-SECBINFHSA-N 0 0 197.303 1.738 10 0 ADAERN C[C@H](CO)SCc1cncs1 162642800 344211669 /nfs/dbraw/zinc/21/16/69/344211669.db2.gz VJRFGEWDSJQDOV-ZCFIWIBFSA-N 0 0 189.305 1.757 10 0 ADAERN C[C@@H](CO)SCCc1ccccn1 162655701 344211745 /nfs/dbraw/zinc/21/17/45/344211745.db2.gz SNLQLWKAJPLKEK-VIFPVBQESA-N 0 0 197.303 1.738 10 0 ADAERN C[C@@H](CO)SCc1cncs1 162642675 344211748 /nfs/dbraw/zinc/21/17/48/344211748.db2.gz VJRFGEWDSJQDOV-LURJTMIESA-N 0 0 189.305 1.757 10 0 ADAERN C[C@@H](CO)S[C@H]1CCCCC1=O 162660878 344211768 /nfs/dbraw/zinc/21/17/68/344211768.db2.gz GBARJGXLDYBLII-CBAPKCEASA-N 0 0 188.292 1.612 10 0 ADAERN C[C@@H](CO)S[C@@H]1CCCCC1=O 162660646 344211784 /nfs/dbraw/zinc/21/17/84/344211784.db2.gz GBARJGXLDYBLII-IONNQARKSA-N 0 0 188.292 1.612 10 0 ADAERN C[C@H](CO)SCc1ncccn1 162646433 344211847 /nfs/dbraw/zinc/21/18/47/344211847.db2.gz TVYNTFABCHVGGD-SSDOTTSWSA-N 0 0 184.264 1.091 10 0 ADAERN C[C@@H](CO)S[C@H]1CCC(=O)C1 162679168 344212084 /nfs/dbraw/zinc/21/20/84/344212084.db2.gz INBMSFUVDJQPCI-XPUUQOCRSA-N 0 0 174.265 1.222 10 0 ADAERN C[C@H](CO)S[C@@H]1CCC(=O)C1 162679038 344212089 /nfs/dbraw/zinc/21/20/89/344212089.db2.gz INBMSFUVDJQPCI-HTRCEHHLSA-N 0 0 174.265 1.222 10 0 ADAERN C[C@H](CO)S[C@H]1CCCC1=O 162682675 344212113 /nfs/dbraw/zinc/21/21/13/344212113.db2.gz XOKSAXHTOQVVCB-SVRRBLITSA-N 0 0 174.265 1.222 10 0 ADAERN C[C@H]1CC(=O)Nc2cnccc2S1 162698075 344212135 /nfs/dbraw/zinc/21/21/35/344212135.db2.gz ZNFXYXOMEIISHJ-LURJTMIESA-N 0 0 194.259 1.904 10 0 ADAERN CC(=O)[C@H](C)S[C@H](C)CO 162674119 344212141 /nfs/dbraw/zinc/21/21/41/344212141.db2.gz WJZLJGQPXUNYAX-VDTYLAMSSA-N 0 0 162.254 1.078 10 0 ADAERN C[C@H]1CSc2ncccc2NC1=O 162690162 344212146 /nfs/dbraw/zinc/21/21/46/344212146.db2.gz VFHGPTAYZQNOSW-LURJTMIESA-N 0 0 194.259 1.762 10 0 ADAERN CC1(C)Sc2ccncc2NC1=O 162684340 344212151 /nfs/dbraw/zinc/21/21/51/344212151.db2.gz FXNZDVLMNUZKAP-UHFFFAOYSA-N 0 0 194.259 1.904 10 0 ADAERN C[C@@H]1CC(=O)Nc2cnccc2S1 162697970 344212159 /nfs/dbraw/zinc/21/21/59/344212159.db2.gz ZNFXYXOMEIISHJ-ZCFIWIBFSA-N 0 0 194.259 1.904 10 0 ADAERN C[C@@H](CO)S[C@H]1CCCC(=O)C1 162678671 344212169 /nfs/dbraw/zinc/21/21/69/344212169.db2.gz CKKNCUDVMLVUCX-CBAPKCEASA-N 0 0 188.292 1.612 10 0 ADAERN C[C@H](CO)S[C@@H]1CCCC(=O)C1 162678527 344212173 /nfs/dbraw/zinc/21/21/73/344212173.db2.gz CKKNCUDVMLVUCX-VXNVDRBHSA-N 0 0 188.292 1.612 10 0 ADAERN C[C@@H](CO)CSC(F)(F)F 162676834 344212179 /nfs/dbraw/zinc/21/21/79/344212179.db2.gz IIXGQIUGUXBQHJ-BYPYZUCNSA-N 0 0 174.187 1.868 10 0 ADAERN C[C@@H](CO)S[C@@H]1CCC(=O)C1 162678912 344212183 /nfs/dbraw/zinc/21/21/83/344212183.db2.gz INBMSFUVDJQPCI-POYBYMJQSA-N 0 0 174.265 1.222 10 0 ADAERN CC[C@@H]1Sc2ncccc2NC1=O 162671892 344212192 /nfs/dbraw/zinc/21/21/92/344212192.db2.gz IYPDFLANKLPVBY-ZETCQYMHSA-N 0 0 194.259 1.904 10 0 ADAERN C[C@H](CO)CSC(F)(F)F 162676970 344212219 /nfs/dbraw/zinc/21/22/19/344212219.db2.gz IIXGQIUGUXBQHJ-SCSAIBSYSA-N 0 0 174.187 1.868 10 0 ADAERN C[C@H]1CC(=O)Nc2cccnc2S1 162699670 344212221 /nfs/dbraw/zinc/21/22/21/344212221.db2.gz XHMVDCSNJPEEOE-LURJTMIESA-N 0 0 194.259 1.904 10 0 ADAERN C[C@@H](CO)S[C@@H]1CCCC1=O 162682272 344212239 /nfs/dbraw/zinc/21/22/39/344212239.db2.gz XOKSAXHTOQVVCB-POYBYMJQSA-N 0 0 174.265 1.222 10 0 ADAERN C[C@@H]1CC(=O)Nc2cccnc2S1 162699539 344212275 /nfs/dbraw/zinc/21/22/75/344212275.db2.gz XHMVDCSNJPEEOE-ZCFIWIBFSA-N 0 0 194.259 1.904 10 0 ADAERN C[C@@H]1CSc2ccncc2NC1=O 162688190 344212294 /nfs/dbraw/zinc/21/22/94/344212294.db2.gz VWELXJLNWBRBEJ-ZCFIWIBFSA-N 0 0 194.259 1.762 10 0 ADAERN CC(=O)[C@H](C)S[C@@H](C)CO 162674003 344212295 /nfs/dbraw/zinc/21/22/95/344212295.db2.gz WJZLJGQPXUNYAX-FSPLSTOPSA-N 0 0 162.254 1.078 10 0 ADAERN C[C@H](CO)S[C@H]1CCC(=O)C1 162679279 344212296 /nfs/dbraw/zinc/21/22/96/344212296.db2.gz INBMSFUVDJQPCI-SVRRBLITSA-N 0 0 174.265 1.222 10 0 ADAERN C[C@@H]1CSc2ncccc2NC1=O 162690032 344212297 /nfs/dbraw/zinc/21/22/97/344212297.db2.gz VFHGPTAYZQNOSW-ZCFIWIBFSA-N 0 0 194.259 1.762 10 0 ADAERN C[C@H]1CSc2ccncc2NC1=O 162688305 344212301 /nfs/dbraw/zinc/21/23/01/344212301.db2.gz VWELXJLNWBRBEJ-LURJTMIESA-N 0 0 194.259 1.762 10 0 ADAERN C[C@H](CO)S[C@H]1CCCC(=O)C1 162678786 344212303 /nfs/dbraw/zinc/21/23/03/344212303.db2.gz CKKNCUDVMLVUCX-APPZFPTMSA-N 0 0 188.292 1.612 10 0 ADAERN CC1(C)CNc2ccccc2[S@]1=O 162724620 344212601 /nfs/dbraw/zinc/21/26/01/344212601.db2.gz JNCCDJHIJHJXBK-ZDUSSCGKSA-N 0 0 195.287 1.998 10 0 ADAERN Cc1cn(C2CCCCC2)c(=O)[nH]1 162731259 344212643 /nfs/dbraw/zinc/21/26/43/344212643.db2.gz ANRWYPCDCVXTJE-UHFFFAOYSA-N 0 0 180.251 1.990 10 0 ADAERN Cc1c[nH]c(=O)n1-c1cccc(F)c1 162730686 344212687 /nfs/dbraw/zinc/21/26/87/344212687.db2.gz GSVNGCOCHDIQAK-UHFFFAOYSA-N 0 0 192.193 1.613 10 0 ADAERN Cc1cccc(-n2c(C)c[nH]c2=O)c1 162730817 344212716 /nfs/dbraw/zinc/21/27/16/344212716.db2.gz JFOVZWIZEHTXLG-UHFFFAOYSA-N 0 0 188.230 1.782 10 0 ADAERN C[C@H](CNC(N)=S)C(C)(C)C 162711317 344212718 /nfs/dbraw/zinc/21/27/18/344212718.db2.gz JRTYVUBUSQQBTK-ZCFIWIBFSA-N 0 0 174.313 1.502 10 0 ADAERN C[C@@H](CNC(N)=S)C(C)(C)C 162711202 344212719 /nfs/dbraw/zinc/21/27/19/344212719.db2.gz JRTYVUBUSQQBTK-LURJTMIESA-N 0 0 174.313 1.502 10 0 ADAERN Cc1ccc(-n2cc(C)[nH]c2=O)cc1 162731388 344212778 /nfs/dbraw/zinc/21/27/78/344212778.db2.gz FQZUTUUNRJVSNX-UHFFFAOYSA-N 0 0 188.230 1.782 10 0 ADAERN CC(C)(C)c1c[nH]c(=O)n1C1CC1 162734506 344212934 /nfs/dbraw/zinc/21/29/34/344212934.db2.gz OEHNQYVFWHGRAZ-UHFFFAOYSA-N 0 0 180.251 1.809 10 0 ADAERN Cc1cn(-c2cccc(F)c2)c(=O)[nH]1 162733671 344213016 /nfs/dbraw/zinc/21/30/16/344213016.db2.gz DBBCXDAETNZLMK-UHFFFAOYSA-N 0 0 192.193 1.613 10 0 ADAERN Cc1nn(C)c2c1NC[C@@H](C)CS2 162738525 344213032 /nfs/dbraw/zinc/21/30/32/344213032.db2.gz TYOWOTFPWSBBBF-ZCFIWIBFSA-N 0 0 197.307 1.882 10 0 ADAERN Cc1nn(C)c2c1NC[C@H](C)CS2 162738640 344213081 /nfs/dbraw/zinc/21/30/81/344213081.db2.gz TYOWOTFPWSBBBF-LURJTMIESA-N 0 0 197.307 1.882 10 0 ADAERN CCn1nc(C)c2c1SCC(=O)N2 162763864 344213379 /nfs/dbraw/zinc/21/33/79/344213379.db2.gz UKNSFUAZESTXHD-UHFFFAOYSA-N 0 0 197.263 1.256 10 0 ADAERN Cc1ccnc2c1NC(=O)CS2 162765212 344213418 /nfs/dbraw/zinc/21/34/18/344213418.db2.gz LOSDHYRZAFQYJG-UHFFFAOYSA-N 0 0 180.232 1.434 10 0 ADAERN CC(=O)N1CCc2cc(C)c(N)cc21 162767222 344213423 /nfs/dbraw/zinc/21/34/23/344213423.db2.gz RKONLLZRWRMTLZ-UHFFFAOYSA-N 0 0 190.246 1.486 10 0 ADAERN Cn1cncc1-c1ccc(N)nc1 162774351 344213442 /nfs/dbraw/zinc/21/34/42/344213442.db2.gz VRLDNDUQXQYPLZ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN C[C@H]1Sc2ccncc2NC1=O 162765341 344213515 /nfs/dbraw/zinc/21/35/15/344213515.db2.gz OFXYRFZSVAALIP-RXMQYKEDSA-N 0 0 180.232 1.514 10 0 ADAERN Cc1ccc2c(n1)SCC(=O)N2 162763157 344213519 /nfs/dbraw/zinc/21/35/19/344213519.db2.gz YUESLDKQCFWKOY-UHFFFAOYSA-N 0 0 180.232 1.434 10 0 ADAERN Cc1cnc2c(c1)NC(=O)CS2 162765087 344213552 /nfs/dbraw/zinc/21/35/52/344213552.db2.gz BIILGPMFIONNFA-UHFFFAOYSA-N 0 0 180.232 1.434 10 0 ADAERN COCOC1CCC(=O)CC1 162797917 344214030 /nfs/dbraw/zinc/21/40/30/344214030.db2.gz SWYCSSFSANFNFU-UHFFFAOYSA-N 0 0 158.197 1.119 10 0 ADAERN C[C@]1(C(=O)N2CCCC2)CCCS1 162754652 344213623 /nfs/dbraw/zinc/21/36/23/344213623.db2.gz DAHPWMCVLQFFJO-SNVBAGLBSA-N 0 0 199.319 1.895 10 0 ADAERN C[C@H](NC#N)C(C)(C)C 162752222 344213630 /nfs/dbraw/zinc/21/36/30/344213630.db2.gz LSTVDQXBRGPZHI-LURJTMIESA-N 0 0 126.203 1.492 10 0 ADAERN C[C@@H]1Sc2ccncc2NC1=O 162765455 344213661 /nfs/dbraw/zinc/21/36/61/344213661.db2.gz OFXYRFZSVAALIP-YFKPBYRVSA-N 0 0 180.232 1.514 10 0 ADAERN C[C@@]1(C(=O)N2CCCC2)CCCS1 162754766 344213719 /nfs/dbraw/zinc/21/37/19/344213719.db2.gz DAHPWMCVLQFFJO-JTQLQIEISA-N 0 0 199.319 1.895 10 0 ADAERN C[C@@H](NC#N)C(C)(C)C 162752348 344213740 /nfs/dbraw/zinc/21/37/40/344213740.db2.gz LSTVDQXBRGPZHI-ZCFIWIBFSA-N 0 0 126.203 1.492 10 0 ADAERN Cc1cc(CN[C@@H](C)C[NH+](C)C)on1 162768251 344213741 /nfs/dbraw/zinc/21/37/41/344213741.db2.gz ICAXVFFWRWVFME-VIFPVBQESA-N 0 0 197.282 1.023 10 0 ADAERN C[C@H](N1CCC(=O)C1=O)C(C)(C)C 162810730 344213932 /nfs/dbraw/zinc/21/39/32/344213932.db2.gz GFEUBPAINNCGFV-ZETCQYMHSA-N 0 0 183.251 1.222 10 0 ADAERN CCC(=O)[C@@H]1CCCCO1 162801208 344213951 /nfs/dbraw/zinc/21/39/51/344213951.db2.gz WMLRLMPFVFAKAI-QMMMGPOBSA-N 0 0 142.198 1.535 10 0 ADAERN C[C@@H](N1CC(=O)CC1=O)C(C)(C)C 162811103 344214131 /nfs/dbraw/zinc/21/41/31/344214131.db2.gz DRMPSUDQWXHAOO-SSDOTTSWSA-N 0 0 183.251 1.222 10 0 ADAERN CCC(=O)[C@H]1CCCCO1 162801301 344214134 /nfs/dbraw/zinc/21/41/34/344214134.db2.gz WMLRLMPFVFAKAI-MRVPVSSYSA-N 0 0 142.198 1.535 10 0 ADAERN C[C@H](N1CC(=O)CC1=O)C(C)(C)C 162810985 344214148 /nfs/dbraw/zinc/21/41/48/344214148.db2.gz DRMPSUDQWXHAOO-ZETCQYMHSA-N 0 0 183.251 1.222 10 0 ADAERN C[C@@H](N1CCC(=O)C1=O)C(C)(C)C 162810852 344214162 /nfs/dbraw/zinc/21/41/62/344214162.db2.gz GFEUBPAINNCGFV-SSDOTTSWSA-N 0 0 183.251 1.222 10 0 ADAERN N[C@H](c1ccoc1)c1cnns1 162836276 344214414 /nfs/dbraw/zinc/21/44/14/344214414.db2.gz OZXSIPLRIQRGRZ-SSDOTTSWSA-N 0 0 181.220 1.179 10 0 ADAERN C[C@@H](Nc1nnnn1C)C(C)(C)C 162844632 344214430 /nfs/dbraw/zinc/21/44/30/344214430.db2.gz BXRIXCLAUHDEIO-ZCFIWIBFSA-N 0 0 183.259 1.057 10 0 ADAERN N[C@@H](c1ccoc1)c1csnn1 162815313 344214443 /nfs/dbraw/zinc/21/44/43/344214443.db2.gz HZWPGRAGFWIORE-ZETCQYMHSA-N 0 0 181.220 1.179 10 0 ADAERN N[C@H](c1ccoc1)c1cnsn1 162833025 344214458 /nfs/dbraw/zinc/21/44/58/344214458.db2.gz LEHWUUCBWRUFAE-SSDOTTSWSA-N 0 0 181.220 1.179 10 0 ADAERN C[C@H](Nc1ncc[nH]c1=O)C1CCC1 162823751 344214533 /nfs/dbraw/zinc/21/45/33/344214533.db2.gz JIRNFVGTUVJGNU-ZETCQYMHSA-N 0 0 193.250 1.370 10 0 ADAERN C[C@H](Nc1nnnn1C)C(C)(C)C 162844521 344214561 /nfs/dbraw/zinc/21/45/61/344214561.db2.gz BXRIXCLAUHDEIO-LURJTMIESA-N 0 0 183.259 1.057 10 0 ADAERN C[C@@H](Nc1ncc[nH]c1=O)C1CCC1 162823884 344214579 /nfs/dbraw/zinc/21/45/79/344214579.db2.gz JIRNFVGTUVJGNU-SSDOTTSWSA-N 0 0 193.250 1.370 10 0 ADAERN N[C@H](c1ccoc1)c1csnn1 162815399 344214609 /nfs/dbraw/zinc/21/46/09/344214609.db2.gz HZWPGRAGFWIORE-SSDOTTSWSA-N 0 0 181.220 1.179 10 0 ADAERN N[C@@H](c1ccoc1)c1cnsn1 162832909 344214615 /nfs/dbraw/zinc/21/46/15/344214615.db2.gz LEHWUUCBWRUFAE-ZETCQYMHSA-N 0 0 181.220 1.179 10 0 ADAERN N[C@@H](c1ccoc1)c1cnns1 162836196 344214633 /nfs/dbraw/zinc/21/46/33/344214633.db2.gz OZXSIPLRIQRGRZ-ZETCQYMHSA-N 0 0 181.220 1.179 10 0 ADAERN Cc1nnsc1[C@H](N)c1ccoc1 162846169 344214716 /nfs/dbraw/zinc/21/47/16/344214716.db2.gz ZTPNVRJNPNVENO-SSDOTTSWSA-N 0 0 195.247 1.488 10 0 ADAERN N[C@@H](c1ccnnc1)c1ccco1 162863831 344214911 /nfs/dbraw/zinc/21/49/11/344214911.db2.gz VJKWDGYEIPNKCZ-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN CCOC1CC(Nc2ccn(C)n2)C1 162857826 344214941 /nfs/dbraw/zinc/21/49/41/344214941.db2.gz NNISVCRJECSBTE-UHFFFAOYSA-N 0 0 195.266 1.400 10 0 ADAERN Cc1ccc2c(c1)[S@@](=O)CC(=O)N2 162864055 344215011 /nfs/dbraw/zinc/21/50/11/344215011.db2.gz OECGWBNMPHBBIK-CYBMUJFWSA-N 0 0 195.243 1.055 10 0 ADAERN N[C@@H](c1cnsn1)c1ccco1 162869288 344215048 /nfs/dbraw/zinc/21/50/48/344215048.db2.gz WRACPQYBBSIKPD-ZETCQYMHSA-N 0 0 181.220 1.179 10 0 ADAERN Cc1cccc2c1[S@](=O)CC(=O)N2 162867252 344215056 /nfs/dbraw/zinc/21/50/56/344215056.db2.gz HRUIKKPOQUJCIN-ZDUSSCGKSA-N 0 0 195.243 1.055 10 0 ADAERN Cc1cccc2c1[S@@](=O)CC(=O)N2 162867123 344215066 /nfs/dbraw/zinc/21/50/66/344215066.db2.gz HRUIKKPOQUJCIN-CYBMUJFWSA-N 0 0 195.243 1.055 10 0 ADAERN N[C@H](c1cnsn1)c1ccco1 162869191 344215072 /nfs/dbraw/zinc/21/50/72/344215072.db2.gz WRACPQYBBSIKPD-SSDOTTSWSA-N 0 0 181.220 1.179 10 0 ADAERN Cc1ccc2c(c1)[S@](=O)CC(=O)N2 162864182 344215077 /nfs/dbraw/zinc/21/50/77/344215077.db2.gz OECGWBNMPHBBIK-ZDUSSCGKSA-N 0 0 195.243 1.055 10 0 ADAERN N[C@H](c1ccnnc1)c1ccco1 162863704 344215134 /nfs/dbraw/zinc/21/51/34/344215134.db2.gz VJKWDGYEIPNKCZ-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN COc1cncc(C(=O)[C@H]2C[C@H]2C)c1 162870005 344215175 /nfs/dbraw/zinc/21/51/75/344215175.db2.gz DOEVAEFRAYPRDE-XCBNKYQSSA-N 0 0 191.230 1.929 10 0 ADAERN Cc1nnsc1[C@@H](N)c1ccoc1 162846266 344215260 /nfs/dbraw/zinc/21/52/60/344215260.db2.gz ZTPNVRJNPNVENO-ZETCQYMHSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1ccc2c(c1)NC(=O)C[S@]2=O 162861813 344215273 /nfs/dbraw/zinc/21/52/73/344215273.db2.gz AFAZALNYZQQFCW-ZDUSSCGKSA-N 0 0 195.243 1.055 10 0 ADAERN N[C@H](c1csnn1)c1ccco1 162852278 344215287 /nfs/dbraw/zinc/21/52/87/344215287.db2.gz ABYPENHAQSIJAA-SSDOTTSWSA-N 0 0 181.220 1.179 10 0 ADAERN N[C@@H](c1csnn1)c1ccco1 162852399 344215294 /nfs/dbraw/zinc/21/52/94/344215294.db2.gz ABYPENHAQSIJAA-ZETCQYMHSA-N 0 0 181.220 1.179 10 0 ADAERN COc1cncc(C(=O)[C@H]2C[C@@H]2C)c1 162870131 344215489 /nfs/dbraw/zinc/21/54/89/344215489.db2.gz DOEVAEFRAYPRDE-XVKPBYJWSA-N 0 0 191.230 1.929 10 0 ADAERN COc1cncc(C(=O)[C@@H]2C[C@@H]2C)c1 162870377 344215513 /nfs/dbraw/zinc/21/55/13/344215513.db2.gz DOEVAEFRAYPRDE-OIBJUYFYSA-N 0 0 191.230 1.929 10 0 ADAERN Cc1cc(N)cnc1NC(=O)C(C)C 162883663 344215808 /nfs/dbraw/zinc/21/58/08/344215808.db2.gz ZYNOCSNZJVVESO-UHFFFAOYSA-N 0 0 193.250 1.567 10 0 ADAERN C[C@H](NC(=O)n1ccnc1)C(C)(C)C 162870874 344215885 /nfs/dbraw/zinc/21/58/85/344215885.db2.gz UVZBIEHFTFJVPZ-QMMMGPOBSA-N 0 0 195.266 1.875 10 0 ADAERN C[C@@H](NC(=O)n1ccnc1)C(C)(C)C 162870985 344215975 /nfs/dbraw/zinc/21/59/75/344215975.db2.gz UVZBIEHFTFJVPZ-MRVPVSSYSA-N 0 0 195.266 1.875 10 0 ADAERN COc1cncc(C(=O)[C@@H]2C[C@H]2C)c1 162870260 344215977 /nfs/dbraw/zinc/21/59/77/344215977.db2.gz DOEVAEFRAYPRDE-GMSGAONNSA-N 0 0 191.230 1.929 10 0 ADAERN C[C@H](Nc1cnc(N)cn1)C(C)(C)C 162943876 344216265 /nfs/dbraw/zinc/21/62/65/344216265.db2.gz YMJOVISHVIFYJR-ZETCQYMHSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@H](Nc1cncc(N)n1)C(C)(C)C 162943390 344216277 /nfs/dbraw/zinc/21/62/77/344216277.db2.gz LHCLVJSYYYIEAL-ZETCQYMHSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@H](CO)Sc1ccnc(N)c1 162924431 344216345 /nfs/dbraw/zinc/21/63/45/344216345.db2.gz ZDZWGDYQSJLHOR-ZCFIWIBFSA-N 0 0 184.264 1.137 10 0 ADAERN C[C@@H](Nc1n[nH]c(N)n1)C(C)(C)C 162939208 344216462 /nfs/dbraw/zinc/21/64/62/344216462.db2.gz PHJNWNVPWAHBRE-RXMQYKEDSA-N 0 0 183.259 1.233 10 0 ADAERN C[C@@H](Nc1cnc(N)cn1)C(C)(C)C 162943987 344216525 /nfs/dbraw/zinc/21/65/25/344216525.db2.gz YMJOVISHVIFYJR-SSDOTTSWSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@H](Nc1cc(N)ncn1)C(C)(C)C 162948022 344216542 /nfs/dbraw/zinc/21/65/42/344216542.db2.gz RMZHOHZQOVOFFT-ZETCQYMHSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@@H](Nc1cc(N)ncn1)C(C)(C)C 162948092 344216599 /nfs/dbraw/zinc/21/65/99/344216599.db2.gz RMZHOHZQOVOFFT-SSDOTTSWSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@@H](CO)Sc1ccnc(N)c1 162924315 344216622 /nfs/dbraw/zinc/21/66/22/344216622.db2.gz ZDZWGDYQSJLHOR-LURJTMIESA-N 0 0 184.264 1.137 10 0 ADAERN C[C@H](Nc1n[nH]c(N)n1)C(C)(C)C 162939089 344216656 /nfs/dbraw/zinc/21/66/56/344216656.db2.gz PHJNWNVPWAHBRE-YFKPBYRVSA-N 0 0 183.259 1.233 10 0 ADAERN C[C@@H](N1CCNC1=O)C(C)(C)C 162962195 344216885 /nfs/dbraw/zinc/21/68/85/344216885.db2.gz ZIFAYMGOSCXZIH-SSDOTTSWSA-N 0 0 170.256 1.446 10 0 ADAERN C[C@@H]1NCN([C@@H](C)C(C)(C)C)C1=O 162969024 344217036 /nfs/dbraw/zinc/21/70/36/344217036.db2.gz FCNDBHYNXPAJTN-YUMQZZPRSA-N 0 0 184.283 1.199 10 0 ADAERN [NH3+]/C(=C/c1cccc(Cl)c1)C(=O)[O-] 162982345 344216910 /nfs/dbraw/zinc/21/69/10/344216910.db2.gz BQIQHVKIZDVAEG-VMPITWQZSA-N 0 0 197.621 1.724 10 0 ADAERN Cc1ccc(F)cc1/C=C(/[NH3+])C(=O)[O-] 162979509 344217051 /nfs/dbraw/zinc/21/70/51/344217051.db2.gz UGADNHBICDJNMZ-WEVVVXLNSA-N 0 0 195.193 1.518 10 0 ADAERN C[C@H](N1CN[C@H](C)C1=O)C(C)(C)C 162968904 344217106 /nfs/dbraw/zinc/21/71/06/344217106.db2.gz FCNDBHYNXPAJTN-SFYZADRCSA-N 0 0 184.283 1.199 10 0 ADAERN [NH3+]/C(=C/c1cccc(F)c1)C(=O)[O-] 162980517 344217076 /nfs/dbraw/zinc/21/70/76/344217076.db2.gz GZLQMEANMXIAJL-VMPITWQZSA-N 0 0 181.166 1.210 10 0 ADAERN C[C@H](N1CCCNC1=O)C(C)(C)C 162961825 344217117 /nfs/dbraw/zinc/21/71/17/344217117.db2.gz BOSAOOWMYZPCGU-QMMMGPOBSA-N 0 0 184.283 1.836 10 0 ADAERN C[C@H](N1CCNC1=O)C(C)(C)C 162962079 344217178 /nfs/dbraw/zinc/21/71/78/344217178.db2.gz ZIFAYMGOSCXZIH-ZETCQYMHSA-N 0 0 170.256 1.446 10 0 ADAERN C[C@@H]1NCC(=O)N1[C@H](C)C(C)(C)C 162970581 344217182 /nfs/dbraw/zinc/21/71/82/344217182.db2.gz YVMYXSCCQLYSJJ-HTQZYQBOSA-N 0 0 184.283 1.199 10 0 ADAERN C[C@H]1NCC(=O)N1[C@@H](C)C(C)(C)C 162970463 344217186 /nfs/dbraw/zinc/21/71/86/344217186.db2.gz YVMYXSCCQLYSJJ-YUMQZZPRSA-N 0 0 184.283 1.199 10 0 ADAERN Cc1ccccc1/C=C(/[NH3+])C(=O)[O-] 162979217 344217188 /nfs/dbraw/zinc/21/71/88/344217188.db2.gz PBVPRPFXPZZFDG-RMKNXTFCSA-N 0 0 177.203 1.379 10 0 ADAERN [NH3+]/C(=C/c1ccc(F)cc1)C(=O)[O-] 162979392 344217226 /nfs/dbraw/zinc/21/72/26/344217226.db2.gz OGYFRXLWTDOLOS-VMPITWQZSA-N 0 0 181.166 1.210 10 0 ADAERN [NH3+]/C(=C/c1ccccc1Cl)C(=O)[O-] 162980836 344217231 /nfs/dbraw/zinc/21/72/31/344217231.db2.gz QJDAUDOVUFCPGY-VMPITWQZSA-N 0 0 197.621 1.724 10 0 ADAERN C[C@H](N1C(=O)CN[C@H]1C)C(C)(C)C 162970337 344217234 /nfs/dbraw/zinc/21/72/34/344217234.db2.gz YVMYXSCCQLYSJJ-JGVFFNPUSA-N 0 0 184.283 1.199 10 0 ADAERN C[C@H]1NCN([C@H](C)C(C)(C)C)C1=O 162969149 344217258 /nfs/dbraw/zinc/21/72/58/344217258.db2.gz FCNDBHYNXPAJTN-HTQZYQBOSA-N 0 0 184.283 1.199 10 0 ADAERN [NH3+]/C(=C/c1ccc(Cl)cc1)C(=O)[O-] 162977674 344217266 /nfs/dbraw/zinc/21/72/66/344217266.db2.gz MKPHMLBRNOXGQJ-VMPITWQZSA-N 0 0 197.621 1.724 10 0 ADAERN Cc1nonc1COc1cccnc1 163011218 344217555 /nfs/dbraw/zinc/21/75/55/344217555.db2.gz HYFVUSDNJDOHRP-UHFFFAOYSA-N 0 0 191.190 1.352 10 0 ADAERN [NH3+]/C(=C/c1ccsc1)C(=O)[O-] 162988702 344217572 /nfs/dbraw/zinc/21/75/72/344217572.db2.gz QDQAWUJARUIVGR-ZZXKWVIFSA-N 0 0 169.205 1.132 10 0 ADAERN Cc1ccc(N)c(N2CCOC2=O)c1 162998261 344217614 /nfs/dbraw/zinc/21/76/14/344217614.db2.gz PWHZPUKEZRTBGD-UHFFFAOYSA-N 0 0 192.218 1.534 10 0 ADAERN Cc1ccc(N)c(N2CCNC2=O)c1 162997881 344217665 /nfs/dbraw/zinc/21/76/65/344217665.db2.gz USUJRFILJAWHCX-UHFFFAOYSA-N 0 0 191.234 1.107 10 0 ADAERN CCc1ccc(/C=C(/[NH3+])C(=O)[O-])cc1 162983174 344217676 /nfs/dbraw/zinc/21/76/76/344217676.db2.gz UCFANLYSAXBHPJ-JXMROGBWSA-N 0 0 191.230 1.633 10 0 ADAERN c1cncc(OCc2ccno2)c1 163011828 344217690 /nfs/dbraw/zinc/21/76/90/344217690.db2.gz VEYVKKCKEKNKSZ-UHFFFAOYSA-N 0 0 176.175 1.649 10 0 ADAERN Cc1cc(/C=C(/[NH3+])C(=O)[O-])cs1 162988835 344217699 /nfs/dbraw/zinc/21/76/99/344217699.db2.gz FCFTUMGMXIRIGY-XVNBXDOJSA-N 0 0 183.232 1.441 10 0 ADAERN c1cc(CNc2nncs2)co1 162986521 344217819 /nfs/dbraw/zinc/21/78/19/344217819.db2.gz DVUXCIPLJFEZIK-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN [NH3+]/C(=C/c1ccccc1F)C(=O)[O-] 162982828 344217788 /nfs/dbraw/zinc/21/77/88/344217788.db2.gz JCUTUGCHEDZVID-VMPITWQZSA-N 0 0 181.166 1.210 10 0 ADAERN FC(F)Oc1ccnc(Cl)n1 163008818 344217800 /nfs/dbraw/zinc/21/78/00/344217800.db2.gz DLJINYKYWWNXPX-UHFFFAOYSA-N 0 0 180.541 1.731 10 0 ADAERN Cn1cc(COc2cccnc2)cn1 163013676 344218062 /nfs/dbraw/zinc/21/80/62/344218062.db2.gz DIEHQPWLWFWFMG-UHFFFAOYSA-N 0 0 189.218 1.394 10 0 ADAERN c1cncc(OCC2CCOCC2)c1 163017050 344218042 /nfs/dbraw/zinc/21/80/42/344218042.db2.gz ZOOWESQTPOWRQG-UHFFFAOYSA-N 0 0 193.246 1.887 10 0 ADAERN C[C@@H](O)COc1c(N)cccc1F 163021825 344218060 /nfs/dbraw/zinc/21/80/60/344218060.db2.gz XKFPRVRUOUVMSH-ZCFIWIBFSA-N 0 0 185.198 1.168 10 0 ADAERN Cn1ccc(CC(=O)C2CCCC2)n1 163013221 344218113 /nfs/dbraw/zinc/21/81/13/344218113.db2.gz UUGPDXNWTZNBLU-UHFFFAOYSA-N 0 0 192.262 1.722 10 0 ADAERN C[C@H](O)COc1c(N)cccc1F 163021700 344218145 /nfs/dbraw/zinc/21/81/45/344218145.db2.gz XKFPRVRUOUVMSH-LURJTMIESA-N 0 0 185.198 1.168 10 0 ADAERN Cc1nc(COc2cccnc2)no1 163015252 344218164 /nfs/dbraw/zinc/21/81/64/344218164.db2.gz CABRPWOXFSUQOH-UHFFFAOYSA-N 0 0 191.190 1.352 10 0 ADAERN CC(C)[C@@H]1NC(=O)N(C2CCC2)C1=O 163017575 344218177 /nfs/dbraw/zinc/21/81/77/344218177.db2.gz GEEGVURBVSOVHZ-QMMMGPOBSA-N 0 0 196.250 1.115 10 0 ADAERN CC(C)[C@H]1NC(=O)N(C2CCC2)C1=O 163017465 344218181 /nfs/dbraw/zinc/21/81/81/344218181.db2.gz GEEGVURBVSOVHZ-MRVPVSSYSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1ccn(C)n1 163014053 344218186 /nfs/dbraw/zinc/21/81/86/344218186.db2.gz NBPCKTWWDCYFNW-CBAPKCEASA-N 0 0 178.235 1.188 10 0 ADAERN Cn1ccc(C[C@H](O)C2CCCC2)n1 163012443 344218238 /nfs/dbraw/zinc/21/82/38/344218238.db2.gz DPUNKIIRNMSQGP-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccn(C)n1 163013962 344218253 /nfs/dbraw/zinc/21/82/53/344218253.db2.gz NBPCKTWWDCYFNW-APPZFPTMSA-N 0 0 178.235 1.188 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1ccn(C)n1 163014221 344218264 /nfs/dbraw/zinc/21/82/64/344218264.db2.gz NBPCKTWWDCYFNW-IONNQARKSA-N 0 0 178.235 1.188 10 0 ADAERN Cn1ccnc1COc1cccnc1 163013793 344218277 /nfs/dbraw/zinc/21/82/77/344218277.db2.gz QPCBJQGARXRDTJ-UHFFFAOYSA-N 0 0 189.218 1.394 10 0 ADAERN c1cnc(COc2cccnc2)nc1 163012646 344218352 /nfs/dbraw/zinc/21/83/52/344218352.db2.gz MCIBZWXVMBJLQK-UHFFFAOYSA-N 0 0 187.202 1.451 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Cc1ccn(C)n1 163014130 344218371 /nfs/dbraw/zinc/21/83/71/344218371.db2.gz NBPCKTWWDCYFNW-VXNVDRBHSA-N 0 0 178.235 1.188 10 0 ADAERN Cn1ccc(C[C@@H](O)C2CCCC2)n1 163012542 344218392 /nfs/dbraw/zinc/21/83/92/344218392.db2.gz DPUNKIIRNMSQGP-LLVKDONJSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cncc1COc1cccnc1 163012779 344218407 /nfs/dbraw/zinc/21/84/07/344218407.db2.gz RBJSQKTWAYFOSF-UHFFFAOYSA-N 0 0 189.218 1.394 10 0 ADAERN CCC[C@H]1NC(=O)N(C2CCC2)C1=O 163016086 344218419 /nfs/dbraw/zinc/21/84/19/344218419.db2.gz CBIDHTUHNCJNJH-MRVPVSSYSA-N 0 0 196.250 1.259 10 0 ADAERN O=CN1CCCC(=O)c2ccccc21 163060843 344218583 /nfs/dbraw/zinc/21/85/83/344218583.db2.gz QDLFWCMFHJTJNE-UHFFFAOYSA-N 0 0 189.214 1.626 10 0 ADAERN CON(C)c1cccc(Cl)c1N 163055801 344218620 /nfs/dbraw/zinc/21/86/20/344218620.db2.gz FJEWMVFXOUMLLH-UHFFFAOYSA-N 0 0 186.642 1.920 10 0 ADAERN C[C@H](CNC(=S)NN)C(C)(C)C 163054082 344218889 /nfs/dbraw/zinc/21/88/89/344218889.db2.gz YNLHQFNVHXGVNG-ZCFIWIBFSA-N 0 0 189.328 1.006 10 0 ADAERN CN(C)Nc1cccc(Cl)c1N 163107943 344219201 /nfs/dbraw/zinc/21/92/01/344219201.db2.gz JPQMAXYNHMMZCP-UHFFFAOYSA-N 0 0 185.658 1.811 10 0 ADAERN COC(=O)C=CNc1ccc(F)cc1 163115806 344219323 /nfs/dbraw/zinc/21/93/23/344219323.db2.gz JRWKBULWBCNWQD-SREVYHEPSA-N 0 0 195.193 1.924 10 0 ADAERN Nc1c(Cl)cccc1-n1cncn1 163113764 344219333 /nfs/dbraw/zinc/21/93/33/344219333.db2.gz YWVNZEKHCIBAMQ-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN S=c1[n-]nc(-c2cncnc2)o1 163130027 344219532 /nfs/dbraw/zinc/21/95/32/344219532.db2.gz TWKQNTLSCKFGLT-UHFFFAOYSA-N 0 0 180.192 1.189 10 0 ADAERN [NH3+][C@H](c1cnccn1)[C@@H]1CCSC1 163149993 344219568 /nfs/dbraw/zinc/21/95/68/344219568.db2.gz OOTIQTUOCJYPLQ-APPZFPTMSA-N 0 0 195.291 1.230 10 0 ADAERN [NH3+][C@H](c1cnccn1)[C@H]1CCSC1 163150215 344219597 /nfs/dbraw/zinc/21/95/97/344219597.db2.gz OOTIQTUOCJYPLQ-CBAPKCEASA-N 0 0 195.291 1.230 10 0 ADAERN C[C@H](CN1C[C@@H](O)CC1=O)C(C)(C)C 163132171 344219614 /nfs/dbraw/zinc/21/96/14/344219614.db2.gz IZZPBNDRARPGOC-BDAKNGLRSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@H](CN1C[C@H](O)CC1=O)C(C)(C)C 163131921 344219661 /nfs/dbraw/zinc/21/96/61/344219661.db2.gz IZZPBNDRARPGOC-RKDXNWHRSA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)NC(=O)N1CC=CCC1 163141330 344219699 /nfs/dbraw/zinc/21/96/99/344219699.db2.gz AHXLMPODXHUIBG-UHFFFAOYSA-N 0 0 168.240 1.366 10 0 ADAERN COCC[C@@H](C)CCCO 163121604 344219706 /nfs/dbraw/zinc/21/97/06/344219706.db2.gz OFLRMXZOBXVUQM-QMMMGPOBSA-N 0 0 146.230 1.432 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1ccco1 163156900 344219721 /nfs/dbraw/zinc/21/97/21/344219721.db2.gz MYPMCSWGOKPTDT-SZEHBUNVSA-N 0 0 166.220 1.839 10 0 ADAERN C[C@@H](CN1C[C@@H](O)CC1=O)C(C)(C)C 163132045 344219785 /nfs/dbraw/zinc/21/97/85/344219785.db2.gz IZZPBNDRARPGOC-IUCAKERBSA-N 0 0 199.294 1.262 10 0 ADAERN [NH3+][C@@H](c1cnccn1)[C@@H]1CCSC1 163149876 344219799 /nfs/dbraw/zinc/21/97/99/344219799.db2.gz OOTIQTUOCJYPLQ-VXNVDRBHSA-N 0 0 195.291 1.230 10 0 ADAERN O=C(Cc1ccoc1)C1CC1 163151300 344219831 /nfs/dbraw/zinc/21/98/31/344219831.db2.gz HSJGRSQVKGUHOZ-UHFFFAOYSA-N 0 0 150.177 1.801 10 0 ADAERN CCCC(=O)c1cnns1 163186605 344220241 /nfs/dbraw/zinc/22/02/41/344220241.db2.gz ITZGXBKPQOQJTM-UHFFFAOYSA-N 0 0 156.210 1.521 10 0 ADAERN C[C@H](CNC=O)C(C)(C)C 163192654 344220278 /nfs/dbraw/zinc/22/02/78/344220278.db2.gz RLIMFMWTNXNTNZ-SSDOTTSWSA-N 0 0 143.230 1.415 10 0 ADAERN C[C@@H](CNc1n[nH]c(N)n1)C(C)(C)C 163205697 344220404 /nfs/dbraw/zinc/22/04/04/344220404.db2.gz JWTWNFVTJIFXJA-LURJTMIESA-N 0 0 197.286 1.481 10 0 ADAERN C[C@@H](CNC=O)C(C)(C)C 163192522 344220544 /nfs/dbraw/zinc/22/05/44/344220544.db2.gz RLIMFMWTNXNTNZ-ZETCQYMHSA-N 0 0 143.230 1.415 10 0 ADAERN C[C@H](CNc1n[nH]c(N)n1)C(C)(C)C 163205812 344220613 /nfs/dbraw/zinc/22/06/13/344220613.db2.gz JWTWNFVTJIFXJA-ZCFIWIBFSA-N 0 0 197.286 1.481 10 0 ADAERN CC(C)Nc1cnccc1CO 163203921 344220662 /nfs/dbraw/zinc/22/06/62/344220662.db2.gz YHNUJXZGMPVRDS-UHFFFAOYSA-N 0 0 166.224 1.394 10 0 ADAERN CC[C@@H](NN)c1ccc(F)cn1 163219392 344220761 /nfs/dbraw/zinc/22/07/61/344220761.db2.gz DUIJDGBBDFTMBV-SSDOTTSWSA-N 0 0 169.203 1.135 10 0 ADAERN C[C@H](N)C(=O)OC1CCC(C)(C)CC1 163225089 344220901 /nfs/dbraw/zinc/22/09/01/344220901.db2.gz BBRXWAGDHUEMQL-QMMMGPOBSA-N 0 0 199.294 1.846 10 0 ADAERN CSCC(=O)N(C)C(C)C 163226758 344221043 /nfs/dbraw/zinc/22/10/43/344221043.db2.gz VXNNAHBRKRZOCX-UHFFFAOYSA-N 0 0 161.270 1.216 10 0 ADAERN CC1(C)CCC(OC(=O)CN)CC1 163226493 344221086 /nfs/dbraw/zinc/22/10/86/344221086.db2.gz OULLYDYQAATRFI-UHFFFAOYSA-N 0 0 185.267 1.457 10 0 ADAERN [NH3+][C@@H](CC1CC1)c1csnn1 163282045 344221465 /nfs/dbraw/zinc/22/14/65/344221465.db2.gz FAGVSPHGLOECQA-LURJTMIESA-N 0 0 169.253 1.338 10 0 ADAERN [NH3+][C@@H](CC1CC1)c1cnsn1 163296388 344221517 /nfs/dbraw/zinc/22/15/17/344221517.db2.gz NHGFRODKMCPNEK-LURJTMIESA-N 0 0 169.253 1.338 10 0 ADAERN [NH3+][C@H](CC1CC1)c1cnsn1 163296280 344221609 /nfs/dbraw/zinc/22/16/09/344221609.db2.gz NHGFRODKMCPNEK-ZCFIWIBFSA-N 0 0 169.253 1.338 10 0 ADAERN [NH3+][C@@H](CC1CC1)c1cnns1 163299014 344221685 /nfs/dbraw/zinc/22/16/85/344221685.db2.gz CSMXBWKQPCXAQT-LURJTMIESA-N 0 0 169.253 1.338 10 0 ADAERN O=C1CCCCc2ncncc21 163368833 344222563 /nfs/dbraw/zinc/22/25/63/344222563.db2.gz NCIISBZJCYXBRN-UHFFFAOYSA-N 0 0 162.192 1.386 10 0 ADAERN C[C@H](c1nnc(N)o1)C1CC1 163410710 344222887 /nfs/dbraw/zinc/22/28/87/344222887.db2.gz JCUHELAVVJLSPK-BYPYZUCNSA-N 0 0 153.185 1.165 10 0 ADAERN CCC(CC)Nc1nccc(N)n1 163395207 344223077 /nfs/dbraw/zinc/22/30/77/344223077.db2.gz OUCXZGCZSVXGFI-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN CC(C)[C@H](C)Nc1nccc(N)n1 163397377 344223098 /nfs/dbraw/zinc/22/30/98/344223098.db2.gz KUGNVWONPUCPPH-ZETCQYMHSA-N 0 0 180.255 1.515 10 0 ADAERN CC(C)[C@@H](C)Nc1nccc(N)n1 163397253 344223140 /nfs/dbraw/zinc/22/31/40/344223140.db2.gz KUGNVWONPUCPPH-SSDOTTSWSA-N 0 0 180.255 1.515 10 0 ADAERN C[C@@H](c1nnc(N)o1)C1CC1 163410613 344223218 /nfs/dbraw/zinc/22/32/18/344223218.db2.gz JCUHELAVVJLSPK-SCSAIBSYSA-N 0 0 153.185 1.165 10 0 ADAERN CN(c1nccc(N)n1)C1CCC1 163411418 344223231 /nfs/dbraw/zinc/22/32/31/344223231.db2.gz FCKFISNXZMFFJF-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN N[C@H](c1ccsc1)c1cnsn1 163447008 344223533 /nfs/dbraw/zinc/22/35/33/344223533.db2.gz RWUQDNOKCZULKO-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@@H](c1ccsc1)c1csnn1 163431094 344223565 /nfs/dbraw/zinc/22/35/65/344223565.db2.gz NIDKWEDNNTWCEZ-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN O=C(Cc1cncs1)C1CC1 163447810 344223584 /nfs/dbraw/zinc/22/35/84/344223584.db2.gz ADAOFZSEKGVUBC-UHFFFAOYSA-N 0 0 167.233 1.665 10 0 ADAERN N[C@@H](c1ccsc1)c1cnns1 163450003 344223615 /nfs/dbraw/zinc/22/36/15/344223615.db2.gz YGAWEZQGFDZMPC-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@H](c1ccsc1)c1cnns1 163450120 344223635 /nfs/dbraw/zinc/22/36/35/344223635.db2.gz YGAWEZQGFDZMPC-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@@H](c1ccsc1)c1cnsn1 163446889 344223692 /nfs/dbraw/zinc/22/36/92/344223692.db2.gz RWUQDNOKCZULKO-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@H](c1ccsc1)c1csnn1 163431203 344223775 /nfs/dbraw/zinc/22/37/75/344223775.db2.gz NIDKWEDNNTWCEZ-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN Cc1cc(N)ccc1N1CCCO1 163516170 344224765 /nfs/dbraw/zinc/22/47/65/344224765.db2.gz MRTTZROFOWRGMO-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Cc1cc(F)cc(CNN)c1 163556288 344225215 /nfs/dbraw/zinc/22/52/15/344225215.db2.gz HEKBADSTXJCXQJ-UHFFFAOYSA-N 0 0 154.188 1.097 10 0 ADAERN CCNc1ncncc1Cl 163574151 344225222 /nfs/dbraw/zinc/22/52/22/344225222.db2.gz IAPBURDBCRDFPZ-UHFFFAOYSA-N 0 0 157.604 1.562 10 0 ADAERN C[C@H]1CCN[C@H](C(=O)OC(C)(C)C)C1 163555444 344225304 /nfs/dbraw/zinc/22/53/04/344225304.db2.gz OQUBIZHHSFEVDY-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN CCCNc1ncncc1Cl 163572555 344225337 /nfs/dbraw/zinc/22/53/37/344225337.db2.gz KZNWIILSNXQHCL-UHFFFAOYSA-N 0 0 171.631 1.952 10 0 ADAERN C[C@@H]1CCN[C@H](C(=O)OC(C)(C)C)C1 163555330 344225348 /nfs/dbraw/zinc/22/53/48/344225348.db2.gz OQUBIZHHSFEVDY-BDAKNGLRSA-N 0 0 199.294 1.716 10 0 ADAERN COc1nccnc1C(=O)[C@@H]1C[C@H]1C 163621046 344225473 /nfs/dbraw/zinc/22/54/73/344225473.db2.gz SDFPXNBDFDXBQB-RNFRBKRXSA-N 0 0 192.218 1.324 10 0 ADAERN COc1nccnc1C(=O)C1CC1 163620265 344225515 /nfs/dbraw/zinc/22/55/15/344225515.db2.gz ZXDJQXCWQPEGFZ-UHFFFAOYSA-N 0 0 178.191 1.078 10 0 ADAERN C[C@H](c1cc(N)n[nH]1)C1CC1 163616202 344225529 /nfs/dbraw/zinc/22/55/29/344225529.db2.gz KSEQWOVEAWMMBH-YFKPBYRVSA-N 0 0 151.213 1.505 10 0 ADAERN C[C@H](C(=O)N1CCCC(=O)C1)C1CC1 163597551 344225539 /nfs/dbraw/zinc/22/55/39/344225539.db2.gz DXFLYKPUMPVRQI-QMMMGPOBSA-N 0 0 195.262 1.224 10 0 ADAERN Cc1ccc(NC(N)=O)s1 163625105 344225547 /nfs/dbraw/zinc/22/55/47/344225547.db2.gz BYEFIXDDNAPPGO-UHFFFAOYSA-N 0 0 156.210 1.547 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncncc1Cl 163608579 344225575 /nfs/dbraw/zinc/22/55/75/344225575.db2.gz IPWYJDZKUCHOQD-CAHLUQPWSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncncc1Cl 163608367 344225582 /nfs/dbraw/zinc/22/55/82/344225582.db2.gz IPWYJDZKUCHOQD-FSPLSTOPSA-N 0 0 183.642 1.950 10 0 ADAERN OC1CC(Nc2ncncc2Cl)C1 163629689 344225587 /nfs/dbraw/zinc/22/55/87/344225587.db2.gz AMFTXARHFAHXFG-UHFFFAOYSA-N 0 0 199.641 1.065 10 0 ADAERN C[C@@H](C(=O)N1CCCC(=O)C1)C1CC1 163597661 344225616 /nfs/dbraw/zinc/22/56/16/344225616.db2.gz DXFLYKPUMPVRQI-MRVPVSSYSA-N 0 0 195.262 1.224 10 0 ADAERN COc1nccnc1C(=O)[C@H]1C[C@H]1C 163620833 344225699 /nfs/dbraw/zinc/22/56/99/344225699.db2.gz SDFPXNBDFDXBQB-RQJHMYQMSA-N 0 0 192.218 1.324 10 0 ADAERN COc1nccnc1C(=O)[C@H]1C[C@@H]1C 163620945 344225742 /nfs/dbraw/zinc/22/57/42/344225742.db2.gz SDFPXNBDFDXBQB-BQBZGAKWSA-N 0 0 192.218 1.324 10 0 ADAERN C[C@@H](c1cc(N)n[nH]1)C1CC1 163616089 344225778 /nfs/dbraw/zinc/22/57/78/344225778.db2.gz KSEQWOVEAWMMBH-RXMQYKEDSA-N 0 0 151.213 1.505 10 0 ADAERN COc1ccc(C)c(C(N)=O)c1OC 163629169 344225783 /nfs/dbraw/zinc/22/57/83/344225783.db2.gz ZEUZKHJLJZLMCE-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN COC(=O)NC1CCC(C)(O)CC1 163620626 344225799 /nfs/dbraw/zinc/22/57/99/344225799.db2.gz RQYPJWVZDXAMBM-UHFFFAOYSA-N 0 0 187.239 1.036 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H](C)C1CC1 163617978 344225902 /nfs/dbraw/zinc/22/59/02/344225902.db2.gz QNNAGGOGVNBCJP-YFKPBYRVSA-N 0 0 165.240 1.814 10 0 ADAERN OCC1(Nc2ncncc2Cl)CC1 163657381 344226469 /nfs/dbraw/zinc/22/64/69/344226469.db2.gz QCIIAOPLVNDCNT-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN C[C@@H](c1nnc(N)s1)C1CC1 163677664 344226665 /nfs/dbraw/zinc/22/66/65/344226665.db2.gz WDBGCQDWRFXMFF-SCSAIBSYSA-N 0 0 169.253 1.634 10 0 ADAERN C[C@H](c1nnc(N)s1)C1CC1 163677788 344226682 /nfs/dbraw/zinc/22/66/82/344226682.db2.gz WDBGCQDWRFXMFF-BYPYZUCNSA-N 0 0 169.253 1.634 10 0 ADAERN COC[C@H](C)c1noc(Cl)n1 163675527 344226819 /nfs/dbraw/zinc/22/68/19/344226819.db2.gz QRGRWOCJEJADPO-BYPYZUCNSA-N 0 0 176.603 1.473 10 0 ADAERN COC[C@@H](C)c1noc(Cl)n1 163675654 344226897 /nfs/dbraw/zinc/22/68/97/344226897.db2.gz QRGRWOCJEJADPO-SCSAIBSYSA-N 0 0 176.603 1.473 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1cccnc1 163703917 344227248 /nfs/dbraw/zinc/22/72/48/344227248.db2.gz PSCXBQWSVDPBCF-DVVUODLYSA-N 0 0 177.247 1.641 10 0 ADAERN C[C@@H](C1CC1)C1N=NC(=S)N1 163712996 344227292 /nfs/dbraw/zinc/22/72/92/344227292.db2.gz UPWMOXPJZAMCIH-BYPYZUCNSA-N 0 0 169.253 1.607 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1cccnc1 163704160 344227310 /nfs/dbraw/zinc/22/73/10/344227310.db2.gz PSCXBQWSVDPBCF-FBIMIBRVSA-N 0 0 177.247 1.641 10 0 ADAERN C[C@H](C1CC1)C1N=NC(=S)N1 163712875 344227337 /nfs/dbraw/zinc/22/73/37/344227337.db2.gz UPWMOXPJZAMCIH-SCSAIBSYSA-N 0 0 169.253 1.607 10 0 ADAERN Cc1nc([C@@H](C)C2CC2)n[nH]1 163708636 344227421 /nfs/dbraw/zinc/22/74/21/344227421.db2.gz BJJCGSVOZYASSQ-YFKPBYRVSA-N 0 0 151.213 1.627 10 0 ADAERN C[C@H](C1CC1)C1N=NC(=S)O1 163701151 344227442 /nfs/dbraw/zinc/22/74/42/344227442.db2.gz LLUZWMGMHVWHHO-SCSAIBSYSA-N 0 0 170.237 1.872 10 0 ADAERN C[C@@H](C1CC1)C1N=NC(=S)O1 163701267 344227602 /nfs/dbraw/zinc/22/76/02/344227602.db2.gz LLUZWMGMHVWHHO-BYPYZUCNSA-N 0 0 170.237 1.872 10 0 ADAERN Cc1nc([C@H](C)C2CC2)n[nH]1 163708762 344227604 /nfs/dbraw/zinc/22/76/04/344227604.db2.gz BJJCGSVOZYASSQ-RXMQYKEDSA-N 0 0 151.213 1.627 10 0 ADAERN COCC(=O)c1ccoc1C 163727082 344227800 /nfs/dbraw/zinc/22/78/00/344227800.db2.gz SHYJZCVFXLZRTP-UHFFFAOYSA-N 0 0 154.165 1.417 10 0 ADAERN COC[C@H](C)c1ncsc1N 163728008 344227940 /nfs/dbraw/zinc/22/79/40/344227940.db2.gz RMPCLOAZBALSTF-YFKPBYRVSA-N 0 0 172.253 1.475 10 0 ADAERN Cc1csc(-c2nccc(=O)[nH]2)n1 163719864 344228015 /nfs/dbraw/zinc/22/80/15/344228015.db2.gz MHIGAEKDLWRNRZ-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN COC[C@@H](C)c1ncsc1N 163728128 344228095 /nfs/dbraw/zinc/22/80/95/344228095.db2.gz RMPCLOAZBALSTF-RXMQYKEDSA-N 0 0 172.253 1.475 10 0 ADAERN Cc1occc1C(=O)c1cnccn1 163737004 344228403 /nfs/dbraw/zinc/22/84/03/344228403.db2.gz AAGRZAJCVMWHQH-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN COC[C@@H](C)c1cnc(N)s1 163733430 344228414 /nfs/dbraw/zinc/22/84/14/344228414.db2.gz IPDGAPCNCBLZAT-RXMQYKEDSA-N 0 0 172.253 1.475 10 0 ADAERN COC[C@H](C)c1nc(C)c(C)c(N)n1 163738093 344228479 /nfs/dbraw/zinc/22/84/79/344228479.db2.gz CVPUHIMMIBPBHG-LURJTMIESA-N 0 0 195.266 1.426 10 0 ADAERN COC[C@@H](C)c1nc(C)cc(N)n1 163736411 344228549 /nfs/dbraw/zinc/22/85/49/344228549.db2.gz UFHUJTLIVVKCCB-ZCFIWIBFSA-N 0 0 181.239 1.117 10 0 ADAERN COC[C@@H](C)c1nc(C)c(C)c(N)n1 163738238 344228611 /nfs/dbraw/zinc/22/86/11/344228611.db2.gz CVPUHIMMIBPBHG-ZCFIWIBFSA-N 0 0 195.266 1.426 10 0 ADAERN CNc1cc(C)nc([C@@H](C)COC)n1 163733844 344228659 /nfs/dbraw/zinc/22/86/59/344228659.db2.gz HUJHGOGBBMARHS-ZETCQYMHSA-N 0 0 195.266 1.577 10 0 ADAERN CNc1cc(C)nc([C@H](C)COC)n1 163733932 344228669 /nfs/dbraw/zinc/22/86/69/344228669.db2.gz HUJHGOGBBMARHS-SSDOTTSWSA-N 0 0 195.266 1.577 10 0 ADAERN COC[C@H](C)c1nc(C)cc(N)n1 163736307 344228717 /nfs/dbraw/zinc/22/87/17/344228717.db2.gz UFHUJTLIVVKCCB-LURJTMIESA-N 0 0 181.239 1.117 10 0 ADAERN COC[C@H](C)c1cnc(N)s1 163733333 344228728 /nfs/dbraw/zinc/22/87/28/344228728.db2.gz IPDGAPCNCBLZAT-YFKPBYRVSA-N 0 0 172.253 1.475 10 0 ADAERN Cc1occc1[C@@H](O)c1ccnn1C 163755837 344228953 /nfs/dbraw/zinc/22/89/53/344228953.db2.gz ASXOZNRGYOWSEH-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN Cc1occc1[C@H](O)c1ccnn1C 163755713 344229106 /nfs/dbraw/zinc/22/91/06/344229106.db2.gz ASXOZNRGYOWSEH-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN Clc1cncnc1-n1cccn1 163772551 344229498 /nfs/dbraw/zinc/22/94/98/344229498.db2.gz ARRAKFRSBZXRLW-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN Cn1cc(-c2cncnc2Cl)cn1 163784854 344229731 /nfs/dbraw/zinc/22/97/31/344229731.db2.gz NNPSFFADZDWTHK-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CC(C)(C)CNc1cnn(CCO)c1 163778256 344229801 /nfs/dbraw/zinc/22/98/01/344229801.db2.gz ABXWCMGCUXRYCE-UHFFFAOYSA-N 0 0 197.282 1.333 10 0 ADAERN Cc1occc1[C@@H](N)c1cnccn1 163791807 344230170 /nfs/dbraw/zinc/23/01/70/344230170.db2.gz YUSTXTFRCCBAOT-SNVBAGLBSA-N 0 0 189.218 1.426 10 0 ADAERN Cc1occc1[C@H](N)c1cnccn1 163791703 344230206 /nfs/dbraw/zinc/23/02/06/344230206.db2.gz YUSTXTFRCCBAOT-JTQLQIEISA-N 0 0 189.218 1.426 10 0 ADAERN Cn1nccc1-c1cncnc1Cl 163797936 344230220 /nfs/dbraw/zinc/23/02/20/344230220.db2.gz LTVOFBWGEHWOFV-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN COC[C@@H](C)C1N=NC(=N)C[C@H]1C 163794761 344230306 /nfs/dbraw/zinc/23/03/06/344230306.db2.gz XQDVDQNVIRROKX-RNFRBKRXSA-N 0 0 183.255 1.022 10 0 ADAERN Cc1c(N)cc(Cl)cc1O 163826371 344230828 /nfs/dbraw/zinc/23/08/28/344230828.db2.gz PCTNBVOUNJNABI-UHFFFAOYSA-N 0 0 157.600 1.936 10 0 ADAERN CCN1C(=S)N=NC1[C@@H](C)OC 163854584 344230998 /nfs/dbraw/zinc/23/09/98/344230998.db2.gz IFLHHHFSQLZUMJ-RXMQYKEDSA-N 0 0 187.268 1.294 10 0 ADAERN CO[C@@H](C)c1nnc(C(C)C)[nH]1 163850804 344231049 /nfs/dbraw/zinc/23/10/49/344231049.db2.gz WKQHCUKKMCDKJE-LURJTMIESA-N 0 0 169.228 1.636 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)NC(C)(C)C 163848710 344231071 /nfs/dbraw/zinc/23/10/71/344231071.db2.gz YIGMZGAJQPVFNZ-HTQZYQBOSA-N 0 0 185.267 1.326 10 0 ADAERN CO[C@H](C)c1nnc(C2CC2)[nH]1 163851270 344231154 /nfs/dbraw/zinc/23/11/54/344231154.db2.gz PZAUAXSRAPJJRY-RXMQYKEDSA-N 0 0 167.212 1.390 10 0 ADAERN CCN(CC)C(=O)[C@@H]1OCC[C@@H]1C 163848093 344231180 /nfs/dbraw/zinc/23/11/80/344231180.db2.gz VPUSPEYIBIQZDQ-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN CO[C@H](C)c1nnc(C(C)C)[nH]1 163850677 344231216 /nfs/dbraw/zinc/23/12/16/344231216.db2.gz WKQHCUKKMCDKJE-ZCFIWIBFSA-N 0 0 169.228 1.636 10 0 ADAERN CO[C@@H](C)c1nnc(C2CC2)[nH]1 163851159 344231235 /nfs/dbraw/zinc/23/12/35/344231235.db2.gz PZAUAXSRAPJJRY-YFKPBYRVSA-N 0 0 167.212 1.390 10 0 ADAERN CCc1nnc([C@@H](C)OC)[nH]1 163850430 344231245 /nfs/dbraw/zinc/23/12/45/344231245.db2.gz AYACGRCCYLOQQP-RXMQYKEDSA-N 0 0 155.201 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/nfs/dbraw/zinc/23/40/16/344234016.db2.gz FSSODRLVTCALGP-SFYZADRCSA-N 0 0 181.239 1.048 10 0 ADAERN CO[C@H](C)c1nnc(Cl)s1 163941452 344234049 /nfs/dbraw/zinc/23/40/49/344234049.db2.gz IMELFZVJSMYRTI-GSVOUGTGSA-N 0 0 178.644 1.899 10 0 ADAERN CO[C@@H](C)c1nnc([C@@H](C)N)s1 163970422 344234247 /nfs/dbraw/zinc/23/42/47/344234247.db2.gz HYZRXLRBMDEKED-UHNVWZDZSA-N 0 0 187.268 1.265 10 0 ADAERN CC(C)c1nnc2sc(C=O)nn12 163972312 344234272 /nfs/dbraw/zinc/23/42/72/344234272.db2.gz HPULBMHTOGNHLM-UHFFFAOYSA-N 0 0 196.235 1.122 10 0 ADAERN CO[C@@H](C)c1nncn1C1CC1 163990222 344234315 /nfs/dbraw/zinc/23/43/15/344234315.db2.gz KDTDZENZPVPNBF-LURJTMIESA-N 0 0 167.212 1.320 10 0 ADAERN COc1nc2c(F)cc(F)cc2[nH]1 163978095 344234321 /nfs/dbraw/zinc/23/43/21/344234321.db2.gz RZTUGEGJCGTRQX-UHFFFAOYSA-N 0 0 184.145 1.850 10 0 ADAERN CCn1cnnc1[C@@H](C)OC 163990676 344234342 /nfs/dbraw/zinc/23/43/42/344234342.db2.gz VQFCTSCDGXTWRR-ZCFIWIBFSA-N 0 0 155.201 1.005 10 0 ADAERN CO[C@@H](C)c1nnc([C@H](C)N)s1 163970305 344234470 /nfs/dbraw/zinc/23/44/70/344234470.db2.gz HYZRXLRBMDEKED-WHFBIAKZSA-N 0 0 187.268 1.265 10 0 ADAERN CO[C@H](C)c1nnc([C@H](C)N)s1 163970131 344234486 /nfs/dbraw/zinc/23/44/86/344234486.db2.gz HYZRXLRBMDEKED-CRCLSJGQSA-N 0 0 187.268 1.265 10 0 ADAERN CO[C@@H](C)c1nncn1C(C)C 163990096 344234495 /nfs/dbraw/zinc/23/44/95/344234495.db2.gz LJUVALVTVQTOHZ-ZETCQYMHSA-N 0 0 169.228 1.566 10 0 ADAERN CO[C@H](C)c1nncn1C1CC1 163990346 344234531 /nfs/dbraw/zinc/23/45/31/344234531.db2.gz KDTDZENZPVPNBF-ZCFIWIBFSA-N 0 0 167.212 1.320 10 0 ADAERN CO[C@H](C)c1nncn1C(C)C 163990009 344234564 /nfs/dbraw/zinc/23/45/64/344234564.db2.gz LJUVALVTVQTOHZ-SSDOTTSWSA-N 0 0 169.228 1.566 10 0 ADAERN CCn1cnnc1[C@H](C)OC 163990763 344234630 /nfs/dbraw/zinc/23/46/30/344234630.db2.gz VQFCTSCDGXTWRR-LURJTMIESA-N 0 0 155.201 1.005 10 0 ADAERN Cc1nnc(NC[C@@H]2C[C@@H]2C)s1 163996079 344234780 /nfs/dbraw/zinc/23/47/80/344234780.db2.gz AKOUHDOOMVVCQA-FSPLSTOPSA-N 0 0 183.280 1.914 10 0 ADAERN 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142.198 1.391 10 0 ADAERN Cc1nnc(NC[C@H]2C[C@@H]2C)s1 163996189 344235044 /nfs/dbraw/zinc/23/50/44/344235044.db2.gz AKOUHDOOMVVCQA-CAHLUQPWSA-N 0 0 183.280 1.914 10 0 ADAERN CO[C@H](C)c1nc2c([nH]1)CCCC2 163995397 344235058 /nfs/dbraw/zinc/23/50/58/344235058.db2.gz MZIBSXNYJMULAX-SSDOTTSWSA-N 0 0 180.251 1.996 10 0 ADAERN CS[C@@H](C)CNc1ncccc1N 164004911 344235128 /nfs/dbraw/zinc/23/51/28/344235128.db2.gz KHYNKTZMGXGFKD-ZETCQYMHSA-N 0 0 197.307 1.827 10 0 ADAERN CCCC(=O)[C@H]1OCC[C@H]1C 164033765 344235206 /nfs/dbraw/zinc/23/52/06/344235206.db2.gz PUYZAITXUNXLSY-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN CCCC(=O)[C@@H]1OCC[C@H]1C 164033884 344235230 /nfs/dbraw/zinc/23/52/30/344235230.db2.gz PUYZAITXUNXLSY-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN CCCC(=O)[C@H]1CC[C@H](C)O1 164036913 344235257 /nfs/dbraw/zinc/23/52/57/344235257.db2.gz KQIOLXJWAJBSPO-IONNQARKSA-N 0 0 156.225 1.923 10 0 ADAERN C=Cc1ccsc1CO 164029135 344235275 /nfs/dbraw/zinc/23/52/75/344235275.db2.gz MFPMPLRLSWQTQB-UHFFFAOYSA-N 0 0 140.207 1.883 10 0 ADAERN CCCC(=O)[C@H]1CC[C@@H](C)O1 164037137 344235279 /nfs/dbraw/zinc/23/52/79/344235279.db2.gz KQIOLXJWAJBSPO-VXNVDRBHSA-N 0 0 156.225 1.923 10 0 ADAERN CC(C)=C[C@H](N)c1cnns1 164043183 344235331 /nfs/dbraw/zinc/23/53/31/344235331.db2.gz BRKRKTYJHQCNNT-LURJTMIESA-N 0 0 169.253 1.504 10 0 ADAERN CCCC(=O)[C@@H]1CC[C@H](C)O1 164036801 344235362 /nfs/dbraw/zinc/23/53/62/344235362.db2.gz KQIOLXJWAJBSPO-CBAPKCEASA-N 0 0 156.225 1.923 10 0 ADAERN CCCC(=O)[C@@H]1CC[C@@H](C)O1 164037026 344235411 /nfs/dbraw/zinc/23/54/11/344235411.db2.gz KQIOLXJWAJBSPO-APPZFPTMSA-N 0 0 156.225 1.923 10 0 ADAERN CCCC(=O)[C@@H]1OCC[C@@H]1C 164034102 344235423 /nfs/dbraw/zinc/23/54/23/344235423.db2.gz PUYZAITXUNXLSY-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN CCCC(=O)[C@H]1OCC[C@@H]1C 164033993 344235443 /nfs/dbraw/zinc/23/54/43/344235443.db2.gz PUYZAITXUNXLSY-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)CC(=O)NC(=O)CC(C)C 164030433 344235461 /nfs/dbraw/zinc/23/54/61/344235461.db2.gz BANDGVFQKLKNFV-UHFFFAOYSA-N 0 0 185.267 1.721 10 0 ADAERN C[C@H](c1nc([C@@H](C)[NH3+])no1)C1CC1 164054329 344235624 /nfs/dbraw/zinc/23/56/24/344235624.db2.gz LWWYOERMVNTKHI-NTSWFWBYSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@@H](c1nc(C(C)(C)[NH3+])no1)C1CC1 164056905 344235664 /nfs/dbraw/zinc/23/56/64/344235664.db2.gz UJGWPFHVEZNXDP-ZCFIWIBFSA-N 0 0 195.266 1.777 10 0 ADAERN CC(C)=C[C@@H](N)c1cnns1 164043290 344235692 /nfs/dbraw/zinc/23/56/92/344235692.db2.gz BRKRKTYJHQCNNT-ZCFIWIBFSA-N 0 0 169.253 1.504 10 0 ADAERN C[C@H](c1nc(C(C)(C)[NH3+])no1)C1CC1 164057025 344235841 /nfs/dbraw/zinc/23/58/41/344235841.db2.gz UJGWPFHVEZNXDP-LURJTMIESA-N 0 0 195.266 1.777 10 0 ADAERN CC(C)=C[C@@H]([NH3+])c1ccnn1C 164059434 344235878 /nfs/dbraw/zinc/23/58/78/344235878.db2.gz QSDKNBBBIJGVDT-MRVPVSSYSA-N 0 0 165.240 1.386 10 0 ADAERN CC(C)=C[C@H]([NH3+])c1ccnn1C 164059322 344235914 /nfs/dbraw/zinc/23/59/14/344235914.db2.gz QSDKNBBBIJGVDT-QMMMGPOBSA-N 0 0 165.240 1.386 10 0 ADAERN C[C@@H]([NH3+])c1noc([C@H](C)C2CC2)n1 164054542 344235960 /nfs/dbraw/zinc/23/59/60/344235960.db2.gz LWWYOERMVNTKHI-PHDIDXHHSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@@H](c1nnc(CN)o1)C1CC1 164067779 344236227 /nfs/dbraw/zinc/23/62/27/344236227.db2.gz SITLTRYDFLIBDA-RXMQYKEDSA-N 0 0 167.212 1.042 10 0 ADAERN C[C@H](c1nnc([C@@H](C)N)o1)C1CC1 164069113 344236234 /nfs/dbraw/zinc/23/62/34/344236234.db2.gz ZJRHNRXPIMZXRP-NTSWFWBYSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@@H](N)c1nnc([C@H](C)C2CC2)o1 164068998 344236263 /nfs/dbraw/zinc/23/62/63/344236263.db2.gz ZJRHNRXPIMZXRP-PHDIDXHHSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@H](c1nnc(CN)o1)C1CC1 164067887 344236310 /nfs/dbraw/zinc/23/63/10/344236310.db2.gz SITLTRYDFLIBDA-YFKPBYRVSA-N 0 0 167.212 1.042 10 0 ADAERN C[C@H](c1nc(N)no1)C1CC1 164063096 344236414 /nfs/dbraw/zinc/23/64/14/344236414.db2.gz REKVSYBIWSUMET-BYPYZUCNSA-N 0 0 153.185 1.165 10 0 ADAERN C[C@@H](c1nc(N)no1)C1CC1 164062985 344236431 /nfs/dbraw/zinc/23/64/31/344236431.db2.gz REKVSYBIWSUMET-SCSAIBSYSA-N 0 0 153.185 1.165 10 0 ADAERN C[C@H](N)c1nnc([C@H](C)C2CC2)o1 164069225 344236434 /nfs/dbraw/zinc/23/64/34/344236434.db2.gz ZJRHNRXPIMZXRP-RITPCOANSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@@H](CC1CCC1)NN 164098984 344236977 /nfs/dbraw/zinc/23/69/77/344236977.db2.gz GKNHXTUPCJYHAH-LURJTMIESA-N 0 0 128.219 1.028 10 0 ADAERN CCNC(=O)c1ccnc(F)c1F 164089794 344237008 /nfs/dbraw/zinc/23/70/08/344237008.db2.gz BZKOBEZFNWYCJI-UHFFFAOYSA-N 0 0 186.161 1.110 10 0 ADAERN CCC(=O)c1ccsn1 164086900 344237019 /nfs/dbraw/zinc/23/70/19/344237019.db2.gz AQBXHZXRWDWGAO-UHFFFAOYSA-N 0 0 141.195 1.736 10 0 ADAERN C[C@H](CC1CCC1)NN 164099100 344237061 /nfs/dbraw/zinc/23/70/61/344237061.db2.gz GKNHXTUPCJYHAH-ZCFIWIBFSA-N 0 0 128.219 1.028 10 0 ADAERN Nc1ccsc1C(=O)N1CCCO1 164112172 344237297 /nfs/dbraw/zinc/23/72/97/344237297.db2.gz LCZGGZAODLXMPH-UHFFFAOYSA-N 0 0 198.247 1.108 10 0 ADAERN CC[C@@H](O)CNc1ccc(C)cn1 164110968 344237303 /nfs/dbraw/zinc/23/73/03/344237303.db2.gz CFNVLCPBCIXAQQ-SECBINFHSA-N 0 0 180.251 1.573 10 0 ADAERN Nc1cc(F)ccc1N1CCCO1 164132465 344237309 /nfs/dbraw/zinc/23/73/09/344237309.db2.gz KKHZCDJDKCYPMY-UHFFFAOYSA-N 0 0 182.198 1.550 10 0 ADAERN CC[C@H](O)CNc1ccc(C)cn1 164110848 344237525 /nfs/dbraw/zinc/23/75/25/344237525.db2.gz CFNVLCPBCIXAQQ-VIFPVBQESA-N 0 0 180.251 1.573 10 0 ADAERN Nc1ccccc1C(=O)N1CCCO1 164113715 344237568 /nfs/dbraw/zinc/23/75/68/344237568.db2.gz ZOVXLKYFAKGEGQ-UHFFFAOYSA-N 0 0 192.218 1.046 10 0 ADAERN Nc1cccc(N2CCCO2)c1 164142506 344237739 /nfs/dbraw/zinc/23/77/39/344237739.db2.gz GKYSYZRXZINRDL-UHFFFAOYSA-N 0 0 164.208 1.411 10 0 ADAERN Nc1cccnc1N1CCCCO1 164148386 344237745 /nfs/dbraw/zinc/23/77/45/344237745.db2.gz PSSLKCZNOUDKMC-UHFFFAOYSA-N 0 0 179.223 1.196 10 0 ADAERN Cc1cc(N)cc(N2CCCO2)c1 164136017 344237747 /nfs/dbraw/zinc/23/77/47/344237747.db2.gz NPIXMGBMKIUQMZ-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN COc1cc(N)cc(N2CCCO2)c1 164135263 344237750 /nfs/dbraw/zinc/23/77/50/344237750.db2.gz SPDLWAPIKWPQJI-UHFFFAOYSA-N 0 0 194.234 1.419 10 0 ADAERN Cc1cnc(N2CCCO2)c(N)c1 164147374 344237766 /nfs/dbraw/zinc/23/77/66/344237766.db2.gz JTTDZOMFBJDUHM-UHFFFAOYSA-N 0 0 179.223 1.114 10 0 ADAERN Nc1ccc(Cl)nc1N1CCCO1 164145924 344237773 /nfs/dbraw/zinc/23/77/73/344237773.db2.gz AJOWABAZNYHKPQ-UHFFFAOYSA-N 0 0 199.641 1.459 10 0 ADAERN CC(C)Nc1nccc(CO)c1F 164147585 344237776 /nfs/dbraw/zinc/23/77/76/344237776.db2.gz RFKVLBOQLTUIPF-UHFFFAOYSA-N 0 0 184.214 1.533 10 0 ADAERN CCNc1nccc(CO)c1F 164147343 344237788 /nfs/dbraw/zinc/23/77/88/344237788.db2.gz KDBHKBJORHREHZ-UHFFFAOYSA-N 0 0 170.187 1.145 10 0 ADAERN O=C1CCC(O[C@@H]2CCC[C@@H]2O)CC1 164148039 344237791 /nfs/dbraw/zinc/23/77/91/344237791.db2.gz VEPDUBDKFHSSCM-WDEREUQCSA-N 0 0 198.262 1.428 10 0 ADAERN CN(c1nccc(CO)c1F)C1CC1 164136194 344237795 /nfs/dbraw/zinc/23/77/95/344237795.db2.gz ZDDDCLKVQNGJTA-UHFFFAOYSA-N 0 0 196.225 1.312 10 0 ADAERN Nc1ccc(N2CCCO2)c(F)c1 164144750 344237799 /nfs/dbraw/zinc/23/77/99/344237799.db2.gz UZJWCFQADAVMFT-UHFFFAOYSA-N 0 0 182.198 1.550 10 0 ADAERN O=C1CCC(O[C@H]2CCC[C@H]2O)CC1 164148399 344237803 /nfs/dbraw/zinc/23/78/03/344237803.db2.gz VEPDUBDKFHSSCM-MNOVXSKESA-N 0 0 198.262 1.428 10 0 ADAERN Nc1ccc(F)cc1N1CCCO1 164136524 344237824 /nfs/dbraw/zinc/23/78/24/344237824.db2.gz NHPOORUTLRBFHC-UHFFFAOYSA-N 0 0 182.198 1.550 10 0 ADAERN Cc1ccnc(N2CCCO2)c1N 164143293 344237831 /nfs/dbraw/zinc/23/78/31/344237831.db2.gz RFCAYECCOBEBJH-UHFFFAOYSA-N 0 0 179.223 1.114 10 0 ADAERN COc1ccc(N2CCCO2)c(N)c1 164135529 344237848 /nfs/dbraw/zinc/23/78/48/344237848.db2.gz INXKCGPMPBXARB-UHFFFAOYSA-N 0 0 194.234 1.419 10 0 ADAERN Cc1cc(N2CCCO2)ccc1N 164144925 344237850 /nfs/dbraw/zinc/23/78/50/344237850.db2.gz YZOCWRCFBBTNLV-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Nc1c(F)cccc1N1CCCO1 164140558 344237856 /nfs/dbraw/zinc/23/78/56/344237856.db2.gz AYQJPPZLVOLKIM-UHFFFAOYSA-N 0 0 182.198 1.550 10 0 ADAERN OCc1ccnc(NC2CC2)c1F 164147704 344237858 /nfs/dbraw/zinc/23/78/58/344237858.db2.gz UHXYCAYWKLHRPW-UHFFFAOYSA-N 0 0 182.198 1.287 10 0 ADAERN Cc1ccc(N2CCCO2)cc1N 164147107 344237866 /nfs/dbraw/zinc/23/78/66/344237866.db2.gz KAZZQDJCOAZIGM-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Cc1nc(N2CCCO2)ccc1N 164144235 344237869 /nfs/dbraw/zinc/23/78/69/344237869.db2.gz ZAADDVCKEZIKRD-UHFFFAOYSA-N 0 0 179.223 1.114 10 0 ADAERN Nc1cc(Cl)cnc1N1CCCO1 164141858 344237873 /nfs/dbraw/zinc/23/78/73/344237873.db2.gz LKGZDMOXKKPEGI-UHFFFAOYSA-N 0 0 199.641 1.459 10 0 ADAERN Nc1cc(F)cc(N2CCCO2)c1 164142872 344237875 /nfs/dbraw/zinc/23/78/75/344237875.db2.gz DULWOPCKNOFUAV-UHFFFAOYSA-N 0 0 182.198 1.550 10 0 ADAERN Cc1cc(N2CCCO2)ncc1N 164139081 344237920 /nfs/dbraw/zinc/23/79/20/344237920.db2.gz VLISZPKPVXOSKR-UHFFFAOYSA-N 0 0 179.223 1.114 10 0 ADAERN CCCNc1nccc(CO)c1F 164147461 344237923 /nfs/dbraw/zinc/23/79/23/344237923.db2.gz MAGOIFRSEXPZPS-UHFFFAOYSA-N 0 0 184.214 1.535 10 0 ADAERN Nc1cc(F)ccc1N1CCCCO1 164148634 344237940 /nfs/dbraw/zinc/23/79/40/344237940.db2.gz UXJYFQNQCFEEJH-UHFFFAOYSA-N 0 0 196.225 1.940 10 0 ADAERN Cc1ccc(N)c(N2CCCCO2)n1 164149413 344237947 /nfs/dbraw/zinc/23/79/47/344237947.db2.gz PSPQLLJUPAHUQM-UHFFFAOYSA-N 0 0 193.250 1.504 10 0 ADAERN COc1cc(N2CCCO2)ccc1N 164136651 344237959 /nfs/dbraw/zinc/23/79/59/344237959.db2.gz IGHKLTVNYGESEJ-UHFFFAOYSA-N 0 0 194.234 1.419 10 0 ADAERN Cc1ccc(N2CCCO2)c(N)c1 164133548 344238000 /nfs/dbraw/zinc/23/80/00/344238000.db2.gz NKTUPBXXGMUWQZ-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Cc1c(N)cccc1N1CCCO1 164134461 344238004 /nfs/dbraw/zinc/23/80/04/344238004.db2.gz IWSIBPGIKHMJCL-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN O=C1CCC(O[C@H]2CCC[C@@H]2O)CC1 164148274 344238012 /nfs/dbraw/zinc/23/80/12/344238012.db2.gz VEPDUBDKFHSSCM-QWRGUYRKSA-N 0 0 198.262 1.428 10 0 ADAERN Cc1cc(N)cnc1N1CCCO1 164138312 344238032 /nfs/dbraw/zinc/23/80/32/344238032.db2.gz UBWFNCQHFXFPNH-UHFFFAOYSA-N 0 0 179.223 1.114 10 0 ADAERN Cc1cccc(N)c1N1CCCO1 164139625 344238041 /nfs/dbraw/zinc/23/80/41/344238041.db2.gz LQOORMSJJZBSBG-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Cc1ccc(N)c(N2CCCO2)n1 164133273 344238045 /nfs/dbraw/zinc/23/80/45/344238045.db2.gz URUMMBDBFUCWFA-UHFFFAOYSA-N 0 0 179.223 1.114 10 0 ADAERN Cc1ccc(N)cc1N1CCCO1 164146987 344238076 /nfs/dbraw/zinc/23/80/76/344238076.db2.gz ALBXVKJXJVRNIO-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Nc1ccc(N2CCCCO2)nc1 164148128 344238081 /nfs/dbraw/zinc/23/80/81/344238081.db2.gz POLKTBXHNWNKEP-UHFFFAOYSA-N 0 0 179.223 1.196 10 0 ADAERN Nc1ccccc1CN1CCCO1 164170135 344238950 /nfs/dbraw/zinc/23/89/50/344238950.db2.gz HUFIXFVZIALCKQ-UHFFFAOYSA-N 0 0 178.235 1.406 10 0 ADAERN C[C@@H](O)[C@@H](C)OC1CCC(=O)CC1 164159484 344238170 /nfs/dbraw/zinc/23/81/70/344238170.db2.gz RLWHOLJMRPCNSJ-HTQZYQBOSA-N 0 0 186.251 1.284 10 0 ADAERN Nc1cc(F)cc(N2CCCCO2)c1 164155502 344238172 /nfs/dbraw/zinc/23/81/72/344238172.db2.gz FDDSSYQUMHURQD-UHFFFAOYSA-N 0 0 196.225 1.940 10 0 ADAERN CC[C@@H](C)Cc1cc(N)n[nH]1 164396300 344244259 /nfs/dbraw/zinc/24/42/59/344244259.db2.gz OIJDEEMDQLNSPG-ZCFIWIBFSA-N 0 0 153.229 1.581 10 0 ADAERN Cc1cc(N)cnc1N1CCCCO1 164152603 344238198 /nfs/dbraw/zinc/23/81/98/344238198.db2.gz LFSIBMWDGBJVQB-UHFFFAOYSA-N 0 0 193.250 1.504 10 0 ADAERN C[C@H](O)[C@H](C)OC1CCC(=O)CC1 164159595 344238218 /nfs/dbraw/zinc/23/82/18/344238218.db2.gz RLWHOLJMRPCNSJ-YUMQZZPRSA-N 0 0 186.251 1.284 10 0 ADAERN Nc1c(F)cccc1N1CCCCO1 164153812 344238238 /nfs/dbraw/zinc/23/82/38/344238238.db2.gz DZTHRBVPZDYENG-UHFFFAOYSA-N 0 0 196.225 1.940 10 0 ADAERN C[C@H](O)[C@@H](C)OC1CCC(=O)CC1 164159373 344238264 /nfs/dbraw/zinc/23/82/64/344238264.db2.gz RLWHOLJMRPCNSJ-JGVFFNPUSA-N 0 0 186.251 1.284 10 0 ADAERN O=C1CCC(OC[C@@H]2CCOC2)CC1 164154679 344238286 /nfs/dbraw/zinc/23/82/86/344238286.db2.gz ASZBLGHQLKBPHC-SECBINFHSA-N 0 0 198.262 1.551 10 0 ADAERN Nc1ccc(F)cc1N1CCCCO1 164151557 344238296 /nfs/dbraw/zinc/23/82/96/344238296.db2.gz KOYSKEXKOXAGSS-UHFFFAOYSA-N 0 0 196.225 1.940 10 0 ADAERN Cc1ccnc(N2CCCCO2)c1N 164155763 344238298 /nfs/dbraw/zinc/23/82/98/344238298.db2.gz NLEWFXQFQUYRDY-UHFFFAOYSA-N 0 0 193.250 1.504 10 0 ADAERN C[C@H](OC1CCC(=O)CC1)[C@@H](C)O 164159715 344238310 /nfs/dbraw/zinc/23/83/10/344238310.db2.gz RLWHOLJMRPCNSJ-SFYZADRCSA-N 0 0 186.251 1.284 10 0 ADAERN O=C1CCC(OC[C@@H]2CCCO2)CC1 164152885 344238313 /nfs/dbraw/zinc/23/83/13/344238313.db2.gz CUTMBHJEGWFSST-NSHDSACASA-N 0 0 198.262 1.694 10 0 ADAERN Nc1ccc(N2CCCCO2)cn1 164156783 344238317 /nfs/dbraw/zinc/23/83/17/344238317.db2.gz APHJKSJQTVCYPV-UHFFFAOYSA-N 0 0 179.223 1.196 10 0 ADAERN O=C1CCC(OC[C@H]2CCOC2)CC1 164154798 344238327 /nfs/dbraw/zinc/23/83/27/344238327.db2.gz ASZBLGHQLKBPHC-VIFPVBQESA-N 0 0 198.262 1.551 10 0 ADAERN Nc1cccc(N2CCCCO2)c1 164155217 344238334 /nfs/dbraw/zinc/23/83/34/344238334.db2.gz UGLFSWQLVNCCJY-UHFFFAOYSA-N 0 0 178.235 1.801 10 0 ADAERN O=C1CCC(OC[C@H]2CCCO2)CC1 164152787 344238512 /nfs/dbraw/zinc/23/85/12/344238512.db2.gz CUTMBHJEGWFSST-LLVKDONJSA-N 0 0 198.262 1.694 10 0 ADAERN O=C1CCC(OCC(F)F)CC1 164154551 344238556 /nfs/dbraw/zinc/23/85/56/344238556.db2.gz OFNORWSRLLOUOB-UHFFFAOYSA-N 0 0 178.178 1.780 10 0 ADAERN CCOc1nccc(CO)c1F 164153803 344238567 /nfs/dbraw/zinc/23/85/67/344238567.db2.gz HTOUDTCAMRYPCO-UHFFFAOYSA-N 0 0 171.171 1.112 10 0 ADAERN C[C@H](c1ccc(N)cc1)N1CCCO1 164165906 344238654 /nfs/dbraw/zinc/23/86/54/344238654.db2.gz WXPHMDYGKIXDHM-SECBINFHSA-N 0 0 192.262 1.967 10 0 ADAERN Nc1cc(CN2CCCO2)ccc1O 164165378 344238671 /nfs/dbraw/zinc/23/86/71/344238671.db2.gz CWMQXAVNVZIBPE-UHFFFAOYSA-N 0 0 194.234 1.112 10 0 ADAERN CCN(C(=S)NC)C(C)C 164180417 344238672 /nfs/dbraw/zinc/23/86/72/344238672.db2.gz AICJTDKOUUQDAG-UHFFFAOYSA-N 0 0 160.286 1.221 10 0 ADAERN CCNC(=O)c1ccnc(NC)c1F 164186045 344238677 /nfs/dbraw/zinc/23/86/77/344238677.db2.gz VCQZDEOLJXUBEF-UHFFFAOYSA-N 0 0 197.213 1.012 10 0 ADAERN Nc1cccc(F)c1CN1CCCO1 164185912 344238689 /nfs/dbraw/zinc/23/86/89/344238689.db2.gz NCXKWWFCFXPBNX-UHFFFAOYSA-N 0 0 196.225 1.545 10 0 ADAERN CN(C(=S)NC1CC1)C1CC1 164180063 344238694 /nfs/dbraw/zinc/23/86/94/344238694.db2.gz UCTIVUVEXBIPRS-UHFFFAOYSA-N 0 0 170.281 1.118 10 0 ADAERN CCCNc1nccc(C(N)=O)c1F 164187746 344238699 /nfs/dbraw/zinc/23/86/99/344238699.db2.gz ZFYDCLPYAWFTQA-UHFFFAOYSA-N 0 0 197.213 1.142 10 0 ADAERN O=C1CCC(OCc2ncon2)CC1 164177133 344238702 /nfs/dbraw/zinc/23/87/02/344238702.db2.gz VDGHFRQUMZNNPC-UHFFFAOYSA-N 0 0 196.206 1.098 10 0 ADAERN Nc1ccccc1CCN1CCCO1 164169673 344238718 /nfs/dbraw/zinc/23/87/18/344238718.db2.gz LJJHVBFVRGSILP-UHFFFAOYSA-N 0 0 192.262 1.449 10 0 ADAERN C[C@@H](c1ccc(N)cc1)N1CCCO1 164165784 344238762 /nfs/dbraw/zinc/23/87/62/344238762.db2.gz WXPHMDYGKIXDHM-VIFPVBQESA-N 0 0 192.262 1.967 10 0 ADAERN Nc1ccc(CN2CCCO2)c(F)c1 164180889 344238772 /nfs/dbraw/zinc/23/87/72/344238772.db2.gz BIVGPKJUBOHZJC-UHFFFAOYSA-N 0 0 196.225 1.545 10 0 ADAERN Nc1nn(-c2ccccc2)cc1C=O 164176039 344238792 /nfs/dbraw/zinc/23/87/92/344238792.db2.gz MYGPKNDRCZYCFH-UHFFFAOYSA-N 0 0 187.202 1.267 10 0 ADAERN O=C1CCC(OCc2ccno2)CC1 164181013 344238795 /nfs/dbraw/zinc/23/87/95/344238795.db2.gz UNIWRAKQFGVVBA-UHFFFAOYSA-N 0 0 195.218 1.703 10 0 ADAERN CC(C)NC(=S)N(C)C1CC1 164179841 344238827 /nfs/dbraw/zinc/23/88/27/344238827.db2.gz ZYKRBNLIQFHWMU-UHFFFAOYSA-N 0 0 172.297 1.364 10 0 ADAERN O=C1CCC(OCCF)CC1 164166354 344238875 /nfs/dbraw/zinc/23/88/75/344238875.db2.gz YBGPSHUYWWRKRP-UHFFFAOYSA-N 0 0 160.188 1.484 10 0 ADAERN Nc1ccc(CN2CCCO2)cc1F 164186023 344238879 /nfs/dbraw/zinc/23/88/79/344238879.db2.gz UQSFIAQQVKSUHI-UHFFFAOYSA-N 0 0 196.225 1.545 10 0 ADAERN Nc1cccc(CN2CCCO2)c1 164177140 344238892 /nfs/dbraw/zinc/23/88/92/344238892.db2.gz OOFNNXGLRLEIQF-UHFFFAOYSA-N 0 0 178.235 1.406 10 0 ADAERN Cc1c(N)cccc1CN1CCCO1 164170670 344238928 /nfs/dbraw/zinc/23/89/28/344238928.db2.gz JMWREXIEDGNXDI-UHFFFAOYSA-N 0 0 192.262 1.715 10 0 ADAERN O=C1CCC(OC2CCOCC2)CC1 164171965 344238932 /nfs/dbraw/zinc/23/89/32/344238932.db2.gz MWYZNVLRLKISQO-UHFFFAOYSA-N 0 0 198.262 1.694 10 0 ADAERN C[C@H](OC1CCC(O)CC1)[C@@H](C)O 164200318 344239149 /nfs/dbraw/zinc/23/91/49/344239149.db2.gz FUEXMVOINUSXDE-XHHQTKHESA-N 0 0 188.267 1.076 10 0 ADAERN CCc1c[nH]c(=O)c(C)c1 164413588 344244708 /nfs/dbraw/zinc/24/47/08/344244708.db2.gz CJDIIGDBILGXCL-UHFFFAOYSA-N 0 0 137.182 1.246 10 0 ADAERN CC(C)CNC(=S)Nc1cn[nH]c1 164193330 344239154 /nfs/dbraw/zinc/23/91/54/344239154.db2.gz WHFFZTIXZGGAEA-UHFFFAOYSA-N 0 0 198.295 1.352 10 0 ADAERN Nc1cccc(CN2CCCCO2)c1 164205872 344239253 /nfs/dbraw/zinc/23/92/53/344239253.db2.gz KYNLGAAWSKLWQU-UHFFFAOYSA-N 0 0 192.262 1.796 10 0 ADAERN C[C@H](O)[C@H](C)OC1CCC(O)CC1 164200209 344239299 /nfs/dbraw/zinc/23/92/99/344239299.db2.gz FUEXMVOINUSXDE-DKEVHCRPSA-N 0 0 188.267 1.076 10 0 ADAERN C[C@H](O)[C@@H](C)OC1CCC(O)CC1 164199969 344239315 /nfs/dbraw/zinc/23/93/15/344239315.db2.gz FUEXMVOINUSXDE-AFWXGSBKSA-N 0 0 188.267 1.076 10 0 ADAERN OC1CCC(OCc2ccno2)CC1 164207602 344239405 /nfs/dbraw/zinc/23/94/05/344239405.db2.gz IPACILBCONCTCP-UHFFFAOYSA-N 0 0 197.234 1.495 10 0 ADAERN CC(C)NC(=S)Nc1cn[nH]c1 164193817 344239432 /nfs/dbraw/zinc/23/94/32/344239432.db2.gz MZKWNBADFVKWPJ-UHFFFAOYSA-N 0 0 184.268 1.105 10 0 ADAERN S=C(NC1CCCC1)N1CCC1 164190603 344239433 /nfs/dbraw/zinc/23/94/33/344239433.db2.gz VFMDHJWCRPJPFS-UHFFFAOYSA-N 0 0 184.308 1.509 10 0 ADAERN C[C@@H](O)[C@@H](C)OC1CCC(O)CC1 164200089 344239434 /nfs/dbraw/zinc/23/94/34/344239434.db2.gz FUEXMVOINUSXDE-LGUIWLBCSA-N 0 0 188.267 1.076 10 0 ADAERN CCCNC(=S)Nc1cn[nH]c1 164192958 344239440 /nfs/dbraw/zinc/23/94/40/344239440.db2.gz HVVANOMABPOZKM-UHFFFAOYSA-N 0 0 184.268 1.106 10 0 ADAERN O=C(c1ccc(F)cc1)N1CCCO1 164243253 344239765 /nfs/dbraw/zinc/23/97/65/344239765.db2.gz SZNLBVOVBBGYSV-UHFFFAOYSA-N 0 0 195.193 1.603 10 0 ADAERN CCc1nnc2cnc3ccccc3n12 164243106 344239866 /nfs/dbraw/zinc/23/98/66/344239866.db2.gz XXOWYBVDRHSXGV-UHFFFAOYSA-N 0 0 198.229 1.840 10 0 ADAERN O=C(c1ccccc1F)N1CCCO1 164244000 344239899 /nfs/dbraw/zinc/23/98/99/344239899.db2.gz CEJYCNLZDPNYNJ-UHFFFAOYSA-N 0 0 195.193 1.603 10 0 ADAERN C[C@@H](C1CC1)C1(O)CC1 164446550 344245141 /nfs/dbraw/zinc/24/51/41/344245141.db2.gz GOTPMVNJZRFGHS-LURJTMIESA-N 0 0 126.199 1.557 10 0 ADAERN COC1CCC(Nn2cccc2)CC1 164271074 344240123 /nfs/dbraw/zinc/24/01/23/344240123.db2.gz DUJMDFUSYVONCH-UHFFFAOYSA-N 0 0 194.278 1.989 10 0 ADAERN CC(C)NC(=S)Nc1ccnn1C 164265776 344240172 /nfs/dbraw/zinc/24/01/72/344240172.db2.gz FZLQAOVLWKSVFE-UHFFFAOYSA-N 0 0 198.295 1.115 10 0 ADAERN CCCNC(=S)Nc1ccnn1C 164264873 344240208 /nfs/dbraw/zinc/24/02/08/344240208.db2.gz VMIWPVZCHWPYDX-UHFFFAOYSA-N 0 0 198.295 1.117 10 0 ADAERN COC1CCC(NN(C)C)CC1 164278319 344240552 /nfs/dbraw/zinc/24/05/52/344240552.db2.gz CSSWQAVBNJRPQU-UHFFFAOYSA-N 0 0 172.272 1.010 10 0 ADAERN CC1(C)Cc2[nH]c(=O)sc2[C@@H](O)C1 164278195 344240630 /nfs/dbraw/zinc/24/06/30/344240630.db2.gz UKZUHLDSTGVLBT-LURJTMIESA-N 0 0 199.275 1.855 10 0 ADAERN CC1(C)Cc2[nH]c(=O)sc2[C@H](O)C1 164278086 344240704 /nfs/dbraw/zinc/24/07/04/344240704.db2.gz UKZUHLDSTGVLBT-ZCFIWIBFSA-N 0 0 199.275 1.855 10 0 ADAERN CNC(=S)N(C)c1ccccc1F 164292267 344240781 /nfs/dbraw/zinc/24/07/81/344240781.db2.gz HXGALSUBLFPDQL-UHFFFAOYSA-N 0 0 198.266 1.766 10 0 ADAERN CC[C@H](C)Cc1nnc(N)o1 164281921 344240795 /nfs/dbraw/zinc/24/07/95/344240795.db2.gz VBESHGZAJOKYMS-YFKPBYRVSA-N 0 0 155.201 1.240 10 0 ADAERN CC[C@@H](C)Cc1nnc(N)o1 164281816 344240876 /nfs/dbraw/zinc/24/08/76/344240876.db2.gz VBESHGZAJOKYMS-RXMQYKEDSA-N 0 0 155.201 1.240 10 0 ADAERN COC(=O)C=C1CCC(OC)CC1 164295393 344240902 /nfs/dbraw/zinc/24/09/02/344240902.db2.gz XOLLYCPOZCRNNF-UHFFFAOYSA-N 0 0 184.235 1.675 10 0 ADAERN COC1CCC(O)(C(F)(F)F)CC1 164310424 344241131 /nfs/dbraw/zinc/24/11/31/344241131.db2.gz BQCYJDLZLLFZIP-UHFFFAOYSA-N 0 0 198.184 1.869 10 0 ADAERN C[C@@H]1C[C@H]1NC(=S)NC1CCCC1 164302183 344241144 /nfs/dbraw/zinc/24/11/44/344241144.db2.gz NEJZMUOVXOBZFW-VXNVDRBHSA-N 0 0 198.335 1.802 10 0 ADAERN C[C@H]1C[C@@H]1NC(=S)NC1CCCC1 164302063 344241202 /nfs/dbraw/zinc/24/12/02/344241202.db2.gz NEJZMUOVXOBZFW-CBAPKCEASA-N 0 0 198.335 1.802 10 0 ADAERN CO[C@@H]1CCc2nnc(Cl)cc2C1 164306432 344241165 /nfs/dbraw/zinc/24/11/65/344241165.db2.gz YGZITIUDTQKVKI-SSDOTTSWSA-N 0 0 198.653 1.634 10 0 ADAERN CCC1(O)CCC(OC)CC1 164314603 344241200 /nfs/dbraw/zinc/24/12/00/344241200.db2.gz QBLXXFPQEWMZFU-UHFFFAOYSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=S)NC1CCCC1 164301937 344241215 /nfs/dbraw/zinc/24/12/15/344241215.db2.gz NEJZMUOVXOBZFW-APPZFPTMSA-N 0 0 198.335 1.802 10 0 ADAERN C[C@H]1C[C@H]1NC(=S)NC1CCCC1 164302304 344241243 /nfs/dbraw/zinc/24/12/43/344241243.db2.gz NEJZMUOVXOBZFW-IONNQARKSA-N 0 0 198.335 1.802 10 0 ADAERN CC[C@@H](C)CNC(=S)NC 164306234 344241334 /nfs/dbraw/zinc/24/13/34/344241334.db2.gz DUQMGJBKFLMYHC-ZCFIWIBFSA-N 0 0 160.286 1.126 10 0 ADAERN CC[C@H](C)CNC(=S)NC 164306344 344241365 /nfs/dbraw/zinc/24/13/65/344241365.db2.gz DUQMGJBKFLMYHC-LURJTMIESA-N 0 0 160.286 1.126 10 0 ADAERN CO[C@H]1CCc2nnc(Cl)cc2C1 164306534 344241395 /nfs/dbraw/zinc/24/13/95/344241395.db2.gz YGZITIUDTQKVKI-ZETCQYMHSA-N 0 0 198.653 1.634 10 0 ADAERN CC(C)(C)NC(=O)NOC(C)(C)C 164333913 344241905 /nfs/dbraw/zinc/24/19/05/344241905.db2.gz XAPGHUCDZSTFQK-UHFFFAOYSA-N 0 0 188.271 1.814 10 0 ADAERN COC1CCC2(CC1)COC(=O)N2 164347293 344242307 /nfs/dbraw/zinc/24/23/07/344242307.db2.gz IAZPMPVYJXHGRR-UHFFFAOYSA-N 0 0 185.223 1.054 10 0 ADAERN CCC(CC)C(=O)N1CCCO1 164339894 344242125 /nfs/dbraw/zinc/24/21/25/344242125.db2.gz CLHWOWGPNFETBF-UHFFFAOYSA-N 0 0 171.240 1.587 10 0 ADAERN O=C(C[C@@H]1CCCCO1)N1CCCO1 164343446 344242132 /nfs/dbraw/zinc/24/21/32/344242132.db2.gz SRJWDGDSICPYTB-VIFPVBQESA-N 0 0 199.250 1.110 10 0 ADAERN Cc1cccc(C(=O)N2CCCO2)n1 164346025 344242137 /nfs/dbraw/zinc/24/21/37/344242137.db2.gz JBALJGWXEMIMGT-UHFFFAOYSA-N 0 0 192.218 1.168 10 0 ADAERN C[C@@H](C(=O)N1CCCO1)C1CC1 164340700 344242142 /nfs/dbraw/zinc/24/21/42/344242142.db2.gz IWSCYKDQQIOLAX-SSDOTTSWSA-N 0 0 169.224 1.196 10 0 ADAERN O=C(c1ccccc1O)N1CCCO1 164341358 344242155 /nfs/dbraw/zinc/24/21/55/344242155.db2.gz PSRBOXMBBWQJRA-UHFFFAOYSA-N 0 0 193.202 1.170 10 0 ADAERN CCC(C)(C)C(=O)N1CCCO1 164345184 344242172 /nfs/dbraw/zinc/24/21/72/344242172.db2.gz JIFDOBMBADPSEP-UHFFFAOYSA-N 0 0 171.240 1.587 10 0 ADAERN O=C(CC[C@@H]1CCCO1)N1CCCO1 164342261 344242190 /nfs/dbraw/zinc/24/21/90/344242190.db2.gz MHVJAGDVVTVEFZ-VIFPVBQESA-N 0 0 199.250 1.110 10 0 ADAERN CC1CCC(C(=O)N2CCCO2)CC1 164347000 344242196 /nfs/dbraw/zinc/24/21/96/344242196.db2.gz QBSKHNXGNQIKDW-UHFFFAOYSA-N 0 0 197.278 1.977 10 0 ADAERN O=C(C[C@H]1CCCCO1)N1CCCO1 164343570 344242201 /nfs/dbraw/zinc/24/22/01/344242201.db2.gz SRJWDGDSICPYTB-SECBINFHSA-N 0 0 199.250 1.110 10 0 ADAERN Cc1ccoc1C(=O)N1CCCO1 164343965 344242208 /nfs/dbraw/zinc/24/22/08/344242208.db2.gz PIFHCEJFVFVYRL-UHFFFAOYSA-N 0 0 181.191 1.366 10 0 ADAERN COC1CCC2(CC1)CC(=O)CCO2 164337981 344242210 /nfs/dbraw/zinc/24/22/10/344242210.db2.gz GSAHDHQUGCDQJJ-UHFFFAOYSA-N 0 0 198.262 1.694 10 0 ADAERN Cc1cccc(C(=O)N2CCCO2)c1 164339635 344242217 /nfs/dbraw/zinc/24/22/17/344242217.db2.gz KDBXNWPYWAJJRO-UHFFFAOYSA-N 0 0 191.230 1.773 10 0 ADAERN O=C(C1CCCC1)N1CCCO1 164340985 344242255 /nfs/dbraw/zinc/24/22/55/344242255.db2.gz KDABUADQPNZHLH-UHFFFAOYSA-N 0 0 169.224 1.341 10 0 ADAERN Cc1ccc(C(=O)N2CCCO2)cc1 164339252 344242265 /nfs/dbraw/zinc/24/22/65/344242265.db2.gz KPJOVDYYFYNMPW-UHFFFAOYSA-N 0 0 191.230 1.773 10 0 ADAERN O=C(c1ccsc1)N1CCCO1 164341488 344242278 /nfs/dbraw/zinc/24/22/78/344242278.db2.gz NEMDANUFHAVMLV-UHFFFAOYSA-N 0 0 183.232 1.526 10 0 ADAERN Cc1cncc(C(=O)N2CCCO2)c1 164342921 344242311 /nfs/dbraw/zinc/24/23/11/344242311.db2.gz SLKJORRAIFHIHN-UHFFFAOYSA-N 0 0 192.218 1.168 10 0 ADAERN Cc1cscc1C(=O)N1CCCO1 164340307 344242335 /nfs/dbraw/zinc/24/23/35/344242335.db2.gz DHSIWPFZFSWBDI-UHFFFAOYSA-N 0 0 197.259 1.834 10 0 ADAERN O=C(c1ccco1)N1CCCO1 164339754 344242341 /nfs/dbraw/zinc/24/23/41/344242341.db2.gz CTMNHLMCRXCPAG-UHFFFAOYSA-N 0 0 167.164 1.057 10 0 ADAERN Cc1nc(C(=O)N2CCCO2)cs1 164345672 344242401 /nfs/dbraw/zinc/24/24/01/344242401.db2.gz DBQKDDUTVHDJNH-UHFFFAOYSA-N 0 0 198.247 1.229 10 0 ADAERN O=C(c1ccoc1)N1CCCO1 164344088 344242405 /nfs/dbraw/zinc/24/24/05/344242405.db2.gz MITHBLXHMMOSLM-UHFFFAOYSA-N 0 0 167.164 1.057 10 0 ADAERN O=C(c1cccs1)N1CCCO1 164339503 344242441 /nfs/dbraw/zinc/24/24/41/344242441.db2.gz IFCXBXOBMIKBME-UHFFFAOYSA-N 0 0 183.232 1.526 10 0 ADAERN COC1CCC(N)(C(F)(F)F)CC1 164335994 344242474 /nfs/dbraw/zinc/24/24/74/344242474.db2.gz PVGHAXTTYWIQHD-UHFFFAOYSA-N 0 0 197.200 1.835 10 0 ADAERN O=C(Cc1ccsc1)N1CCCO1 164344864 344242502 /nfs/dbraw/zinc/24/25/02/344242502.db2.gz DBORTEPKSIJXDL-UHFFFAOYSA-N 0 0 197.259 1.455 10 0 ADAERN CC(C)[C@@H](C)C(=O)N1CCCO1 164346269 344242514 /nfs/dbraw/zinc/24/25/14/344242514.db2.gz YYPOHYGEWRGAMB-MRVPVSSYSA-N 0 0 171.240 1.442 10 0 ADAERN Cc1ccc(C(=O)N2CCCO2)o1 164348865 344242591 /nfs/dbraw/zinc/24/25/91/344242591.db2.gz DAYYVEQBPDPRFM-UHFFFAOYSA-N 0 0 181.191 1.366 10 0 ADAERN CC[C@H](C)CC(=O)N(C)C#N 164358492 344242625 /nfs/dbraw/zinc/24/26/25/344242625.db2.gz UZNCGXOFLZULPZ-ZETCQYMHSA-N 0 0 154.213 1.362 10 0 ADAERN O=C([C@@H]1CCCS1)N1CCCO1 164357611 344242634 /nfs/dbraw/zinc/24/26/34/344242634.db2.gz GXTMTYKKUSIRKD-ZETCQYMHSA-N 0 0 187.264 1.046 10 0 ADAERN CC1(C)C(C(=O)N2CCCO2)C1(C)C 164349484 344242656 /nfs/dbraw/zinc/24/26/56/344242656.db2.gz KMIMKWKTOYTCCR-UHFFFAOYSA-N 0 0 197.278 1.833 10 0 ADAERN O=C(c1cccc(F)c1)N1CCCO1 164355965 344242663 /nfs/dbraw/zinc/24/26/63/344242663.db2.gz DVECJIQOWFRRRI-UHFFFAOYSA-N 0 0 195.193 1.603 10 0 ADAERN CC(C)C1CCC([C@@H]([NH3+])C(=O)[O-])CC1 164359179 344242667 /nfs/dbraw/zinc/24/26/67/344242667.db2.gz KWJCAISOKZUXEN-UDNWOFFPSA-N 0 0 199.294 1.861 10 0 ADAERN CNC(=S)N(C)C[C@@H]1C[C@H]1C 164353591 344242671 /nfs/dbraw/zinc/24/26/71/344242671.db2.gz YMZIWJILUIVILB-RQJHMYQMSA-N 0 0 172.297 1.079 10 0 ADAERN CNC(=S)N(C)C[C@H]1C[C@@H]1C 164353504 344242703 /nfs/dbraw/zinc/24/27/03/344242703.db2.gz YMZIWJILUIVILB-NKWVEPMBSA-N 0 0 172.297 1.079 10 0 ADAERN CC1(C(=O)N2CCCO2)CCCC1 164354166 344242706 /nfs/dbraw/zinc/24/27/06/344242706.db2.gz SMUUSRBDMXKXCM-UHFFFAOYSA-N 0 0 183.251 1.731 10 0 ADAERN O=C(CCC(F)(F)F)N1CCCO1 164349359 344242711 /nfs/dbraw/zinc/24/27/11/344242711.db2.gz HNGRPICWCSNFBF-UHFFFAOYSA-N 0 0 197.156 1.493 10 0 ADAERN COC1CCC2(CC1)CC(=O)N[C@H]2C 164357875 344242725 /nfs/dbraw/zinc/24/27/25/344242725.db2.gz LRWADKFTKJOWKY-SILCLGDVSA-N 0 0 197.278 1.470 10 0 ADAERN CC[C@@H](C)C(=O)N1CCCO1 164355747 344242743 /nfs/dbraw/zinc/24/27/43/344242743.db2.gz GLQQRNGALXWDMW-SSDOTTSWSA-N 0 0 157.213 1.196 10 0 ADAERN CC(C)CCC(=O)N1CCCO1 164348988 344242754 /nfs/dbraw/zinc/24/27/54/344242754.db2.gz XKFGFMXWTCRXGI-UHFFFAOYSA-N 0 0 171.240 1.587 10 0 ADAERN O=C([C@H]1CCCS1)N1CCCO1 164357479 344242758 /nfs/dbraw/zinc/24/27/58/344242758.db2.gz GXTMTYKKUSIRKD-SSDOTTSWSA-N 0 0 187.264 1.046 10 0 ADAERN CC(C)(C)CC(=O)N1CCCO1 164347634 344242786 /nfs/dbraw/zinc/24/27/86/344242786.db2.gz SUTDBVPEAJUYOL-UHFFFAOYSA-N 0 0 171.240 1.587 10 0 ADAERN CNC(=S)N(C)C[C@@H]1C[C@@H]1C 164353708 344242798 /nfs/dbraw/zinc/24/27/98/344242798.db2.gz YMZIWJILUIVILB-BQBZGAKWSA-N 0 0 172.297 1.079 10 0 ADAERN COC1CCC([C@H](C)O)CC1 164352516 344242808 /nfs/dbraw/zinc/24/28/08/344242808.db2.gz UBVYTOPNOZOXSB-UEJVZZJDSA-N 0 0 158.241 1.572 10 0 ADAERN O=C(Cc1cccs1)N1CCCO1 164347751 344242819 /nfs/dbraw/zinc/24/28/19/344242819.db2.gz RQROBNVYTJGKLR-UHFFFAOYSA-N 0 0 197.259 1.455 10 0 ADAERN CCc1ccc(C(=O)N2CCCO2)o1 164348622 344242822 /nfs/dbraw/zinc/24/28/22/344242822.db2.gz BCRXEESDDQHHIE-UHFFFAOYSA-N 0 0 195.218 1.620 10 0 ADAERN CC1(C)CCC[C@@H]([C@H]([NH3+])C(=O)[O-])C1 164357460 344242829 /nfs/dbraw/zinc/24/28/29/344242829.db2.gz HUUDVTLAHZAHKJ-SFYZADRCSA-N 0 0 185.267 1.615 10 0 ADAERN COC1CCC([C@@H](C)O)CC1 164352639 344242832 /nfs/dbraw/zinc/24/28/32/344242832.db2.gz UBVYTOPNOZOXSB-AFPNSQJFSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1ccc(C(=O)N2CCCO2)cn1 164350861 344242847 /nfs/dbraw/zinc/24/28/47/344242847.db2.gz VPAOEQAEYGAEEP-UHFFFAOYSA-N 0 0 192.218 1.168 10 0 ADAERN CC[C@@H](C)CC(=O)N(C)C#N 164358367 344242850 /nfs/dbraw/zinc/24/28/50/344242850.db2.gz UZNCGXOFLZULPZ-SSDOTTSWSA-N 0 0 154.213 1.362 10 0 ADAERN CC1(C)CCC[C@H]([C@H]([NH3+])C(=O)[O-])C1 164357338 344242861 /nfs/dbraw/zinc/24/28/61/344242861.db2.gz HUUDVTLAHZAHKJ-YUMQZZPRSA-N 0 0 185.267 1.615 10 0 ADAERN CCCCC(=O)N1CCCO1 164356301 344242872 /nfs/dbraw/zinc/24/28/72/344242872.db2.gz PMLJYYGDRBYAGC-UHFFFAOYSA-N 0 0 157.213 1.341 10 0 ADAERN COC1CCC2(CC1)CC(=O)N[C@@H]2C 164357770 344242899 /nfs/dbraw/zinc/24/28/99/344242899.db2.gz LRWADKFTKJOWKY-FKTRJACZSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)C1CCC([C@H]([NH3+])C(=O)[O-])CC1 164359053 344242889 /nfs/dbraw/zinc/24/28/89/344242889.db2.gz KWJCAISOKZUXEN-RTBKNWGFSA-N 0 0 199.294 1.861 10 0 ADAERN CNC(=S)N(C)C[C@H]1C[C@H]1C 164353408 344242908 /nfs/dbraw/zinc/24/29/08/344242908.db2.gz YMZIWJILUIVILB-RNFRBKRXSA-N 0 0 172.297 1.079 10 0 ADAERN Cc1ccsc1C(=O)N1CCCO1 164348504 344242921 /nfs/dbraw/zinc/24/29/21/344242921.db2.gz FMSYTZOTJZQJOP-UHFFFAOYSA-N 0 0 197.259 1.834 10 0 ADAERN CC1(C)CCC[C@H]([C@@H]([NH3+])C(=O)[O-])C1 164357589 344242928 /nfs/dbraw/zinc/24/29/28/344242928.db2.gz HUUDVTLAHZAHKJ-JGVFFNPUSA-N 0 0 185.267 1.615 10 0 ADAERN CC1(C)CCC[C@@H]([C@@H]([NH3+])C(=O)[O-])C1 164357709 344242934 /nfs/dbraw/zinc/24/29/34/344242934.db2.gz HUUDVTLAHZAHKJ-HTQZYQBOSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1nc(C)c(C(=O)N2CCCO2)o1 164366408 344243113 /nfs/dbraw/zinc/24/31/13/344243113.db2.gz WIBBWYMHDBXXGS-UHFFFAOYSA-N 0 0 196.206 1.069 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])C1CCCCCCC1 164360297 344243157 /nfs/dbraw/zinc/24/31/57/344243157.db2.gz AQFDQHQBIANNGS-SECBINFHSA-N 0 0 185.267 1.759 10 0 ADAERN CCC(C)(C)N(C)C(=S)NC 164362342 344243166 /nfs/dbraw/zinc/24/31/66/344243166.db2.gz KSKAUQOPFPDCCD-UHFFFAOYSA-N 0 0 174.313 1.611 10 0 ADAERN O=C(CCc1ccco1)N1CCCO1 164363873 344243216 /nfs/dbraw/zinc/24/32/16/344243216.db2.gz QYUXUHRUJQUFNL-UHFFFAOYSA-N 0 0 195.218 1.376 10 0 ADAERN [NH3+][C@H](C(=O)[O-])C1CCCCCCC1 164360165 344243255 /nfs/dbraw/zinc/24/32/55/344243255.db2.gz AQFDQHQBIANNGS-VIFPVBQESA-N 0 0 185.267 1.759 10 0 ADAERN COC1CCC2(CC1)C[C@@H]2CO 164366539 344243287 /nfs/dbraw/zinc/24/32/87/344243287.db2.gz PWIYREHIFXVXMG-XNWIYYODSA-N 0 0 170.252 1.574 10 0 ADAERN CCC[C@@H](C)C(=O)N1CCCO1 164363610 344243296 /nfs/dbraw/zinc/24/32/96/344243296.db2.gz WEDKNIPLLGBCLJ-MRVPVSSYSA-N 0 0 171.240 1.587 10 0 ADAERN Cc1ncccc1C(=O)N1CCCO1 164361846 344243326 /nfs/dbraw/zinc/24/33/26/344243326.db2.gz KMNUDJRNELOSQW-UHFFFAOYSA-N 0 0 192.218 1.168 10 0 ADAERN Cn1cncc1-c1nccs1 164366568 344243340 /nfs/dbraw/zinc/24/33/40/344243340.db2.gz NYXZNFVGEZBNQN-UHFFFAOYSA-N 0 0 165.221 1.544 10 0 ADAERN Cc1cccnc1C(=O)N1CCCO1 164365069 344243360 /nfs/dbraw/zinc/24/33/60/344243360.db2.gz KQBFAVXWWQKPLA-UHFFFAOYSA-N 0 0 192.218 1.168 10 0 ADAERN COC1CCC(=C[C@@H](C)O)CC1 164368781 344243590 /nfs/dbraw/zinc/24/35/90/344243590.db2.gz HWEWFFFFFWTBSX-HNHGDDPOSA-N 0 0 170.252 1.883 10 0 ADAERN CSCCC(=O)N1CCCCO1 164379814 344243608 /nfs/dbraw/zinc/24/36/08/344243608.db2.gz GLCJHDKUUIDGFR-UHFFFAOYSA-N 0 0 189.280 1.294 10 0 ADAERN Cc1cnoc1C(=O)N1CCCCO1 164368845 344243691 /nfs/dbraw/zinc/24/36/91/344243691.db2.gz ZINJJGXTMGREJG-UHFFFAOYSA-N 0 0 196.206 1.151 10 0 ADAERN C[C@]1(C(=O)N2CCCCO2)CCCO1 164368983 344243721 /nfs/dbraw/zinc/24/37/21/344243721.db2.gz UTRLSRQRHOAHIY-SNVBAGLBSA-N 0 0 199.250 1.110 10 0 ADAERN COC1CCC(=C[C@H](C)O)CC1 164368675 344243787 /nfs/dbraw/zinc/24/37/87/344243787.db2.gz HWEWFFFFFWTBSX-PEHGTWAWSA-N 0 0 170.252 1.883 10 0 ADAERN C[C@@]1(C(=O)N2CCCCO2)CCCO1 164369093 344243815 /nfs/dbraw/zinc/24/38/15/344243815.db2.gz UTRLSRQRHOAHIY-JTQLQIEISA-N 0 0 199.250 1.110 10 0 ADAERN C[C@H]1CC[C@H](C(=O)N2CCCCO2)O1 164377754 344243824 /nfs/dbraw/zinc/24/38/24/344243824.db2.gz QMASOUVUXFLEQD-DTWKUNHWSA-N 0 0 199.250 1.108 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)N2CCCCO2)O1 164377641 344243835 /nfs/dbraw/zinc/24/38/35/344243835.db2.gz QMASOUVUXFLEQD-RKDXNWHRSA-N 0 0 199.250 1.108 10 0 ADAERN CC[C@H](C)Cc1cc(N)n[nH]1 164396423 344244049 /nfs/dbraw/zinc/24/40/49/344244049.db2.gz OIJDEEMDQLNSPG-LURJTMIESA-N 0 0 153.229 1.581 10 0 ADAERN CC[C@H](C)Cc1[nH]nc(N)c1C 164396693 344244107 /nfs/dbraw/zinc/24/41/07/344244107.db2.gz YZAWIYUPJUFXIH-LURJTMIESA-N 0 0 167.256 1.889 10 0 ADAERN CNC(=S)N[C@@H]1CC[C@H](C)[C@H]1C 164391283 344244158 /nfs/dbraw/zinc/24/41/58/344244158.db2.gz YVQOEPAMBUPZOP-XLPZGREQSA-N 0 0 186.324 1.515 10 0 ADAERN Cc1oncc1C(=O)N1CCCCO1 164382134 344244211 /nfs/dbraw/zinc/24/42/11/344244211.db2.gz RQMHMQQPRSZHAR-UHFFFAOYSA-N 0 0 196.206 1.151 10 0 ADAERN CNC(=S)N[C@@H]1CC[C@@H](C)[C@H]1C 164391160 344244219 /nfs/dbraw/zinc/24/42/19/344244219.db2.gz YVQOEPAMBUPZOP-BWZBUEFSSA-N 0 0 186.324 1.515 10 0 ADAERN C[C@H](O)C[C@H](C)Nc1ccc(N)cn1 164409268 344244340 /nfs/dbraw/zinc/24/43/40/344244340.db2.gz SNRXWIHYMSWSLL-YUMQZZPRSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@H](O)C[C@@H](C)Nc1ccccc1N 164414987 344244362 /nfs/dbraw/zinc/24/43/62/344244362.db2.gz CTSHSCDYAJULCG-BDAKNGLRSA-N 0 0 194.278 1.840 10 0 ADAERN C[C@@H](C[C@@H](C)O)Nc1ccc(N)nc1 164433605 344244380 /nfs/dbraw/zinc/24/43/80/344244380.db2.gz WXFKNAFDCIYHQZ-JGVFFNPUSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@@H](O)C[C@@H](C)Nc1ccccc1N 164414741 344244426 /nfs/dbraw/zinc/24/44/26/344244426.db2.gz CTSHSCDYAJULCG-RKDXNWHRSA-N 0 0 194.278 1.840 10 0 ADAERN CC[C@@H](C)Cc1cc(N)on1 164407779 344244441 /nfs/dbraw/zinc/24/44/41/344244441.db2.gz IERBTZHCPDWSID-ZCFIWIBFSA-N 0 0 154.213 1.845 10 0 ADAERN C[C@H](O)C[C@H](C)Nc1ccc(N)nc1 164433838 344244453 /nfs/dbraw/zinc/24/44/53/344244453.db2.gz WXFKNAFDCIYHQZ-YUMQZZPRSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@@H](O)C[C@@H](C)Nc1ccc(N)nc1 164433718 344244555 /nfs/dbraw/zinc/24/45/55/344244555.db2.gz WXFKNAFDCIYHQZ-HTQZYQBOSA-N 0 0 195.266 1.235 10 0 ADAERN CC[C@H](C)CC1N=NC(=S)N1 164427285 344244589 /nfs/dbraw/zinc/24/45/89/344244589.db2.gz RKAMGRUDKFHDMO-YFKPBYRVSA-N 0 0 171.269 1.682 10 0 ADAERN C[C@H](O)C[C@@H](C)Nc1ccc(N)cn1 164409388 344244652 /nfs/dbraw/zinc/24/46/52/344244652.db2.gz SNRXWIHYMSWSLL-SFYZADRCSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@H](O)C[C@H](C)Nc1ccccc1N 164414862 344244700 /nfs/dbraw/zinc/24/47/00/344244700.db2.gz CTSHSCDYAJULCG-IUCAKERBSA-N 0 0 194.278 1.840 10 0 ADAERN CC[C@H](C)Cc1n[nH]c(C)n1 164423554 344244748 /nfs/dbraw/zinc/24/47/48/344244748.db2.gz UBZOUCNRHNKVFL-LURJTMIESA-N 0 0 153.229 1.702 10 0 ADAERN C[C@@H](C[C@@H](C)O)Nc1ccccc1N 164414638 344244795 /nfs/dbraw/zinc/24/47/95/344244795.db2.gz CTSHSCDYAJULCG-DTWKUNHWSA-N 0 0 194.278 1.840 10 0 ADAERN CC[C@@H](C)CC1N=NC(=S)N1 164427171 344244805 /nfs/dbraw/zinc/24/48/05/344244805.db2.gz RKAMGRUDKFHDMO-RXMQYKEDSA-N 0 0 171.269 1.682 10 0 ADAERN C[C@@H](O)C[C@@H](C)Nc1ccc(N)cn1 164409142 344244819 /nfs/dbraw/zinc/24/48/19/344244819.db2.gz SNRXWIHYMSWSLL-HTQZYQBOSA-N 0 0 195.266 1.235 10 0 ADAERN CC[C@H](C)Cc1nc2cncnc2[nH]1 164438107 344244963 /nfs/dbraw/zinc/24/49/63/344244963.db2.gz JIFXMJJCLNQJSO-ZETCQYMHSA-N 0 0 190.250 1.942 10 0 ADAERN CC(C)C1OCC(C)(CO)CO1 164466071 344245040 /nfs/dbraw/zinc/24/50/40/344245040.db2.gz MMISIPNVIUFVFJ-UHFFFAOYSA-N 0 0 174.240 1.014 10 0 ADAERN CC[C@@H](C)CC(=O)N1CCCO1 164445468 344245085 /nfs/dbraw/zinc/24/50/85/344245085.db2.gz MHYVLTHUYUOFAS-MRVPVSSYSA-N 0 0 171.240 1.587 10 0 ADAERN CC[C@@H](C)Cc1nc2cncnc2[nH]1 164437983 344245172 /nfs/dbraw/zinc/24/51/72/344245172.db2.gz JIFXMJJCLNQJSO-SSDOTTSWSA-N 0 0 190.250 1.942 10 0 ADAERN C[C@H](C1CC1)C1(O)CC1 164446675 344245181 /nfs/dbraw/zinc/24/51/81/344245181.db2.gz GOTPMVNJZRFGHS-ZCFIWIBFSA-N 0 0 126.199 1.557 10 0 ADAERN CC[C@H](C)CC(=O)N1CCCO1 164445593 344245221 /nfs/dbraw/zinc/24/52/21/344245221.db2.gz MHYVLTHUYUOFAS-QMMMGPOBSA-N 0 0 171.240 1.587 10 0 ADAERN Cc1nnc(N[C@@H]2C[C@@H]2C)nc1C 164493059 344245549 /nfs/dbraw/zinc/24/55/49/344245549.db2.gz BLLGADSRLNYSNK-YLWLKBPMSA-N 0 0 178.239 1.309 10 0 ADAERN CC[C@H]1CC[C@@H](C)N1C(=S)NC 164484997 344245575 /nfs/dbraw/zinc/24/55/75/344245575.db2.gz BZBLMLALXJLRTM-SFYZADRCSA-N 0 0 186.324 1.754 10 0 ADAERN Cc1nnc(N[C@H]2C[C@H]2C)nc1C 164493421 344245644 /nfs/dbraw/zinc/24/56/44/344245644.db2.gz BLLGADSRLNYSNK-XRGYYRRGSA-N 0 0 178.239 1.309 10 0 ADAERN CCCC(C)(C)NC(=S)NC 164510584 344245668 /nfs/dbraw/zinc/24/56/68/344245668.db2.gz QCDUJMCKBWWNPJ-UHFFFAOYSA-N 0 0 174.313 1.659 10 0 ADAERN Fc1cc(F)nc(-c2ncc[nH]2)n1 164500943 344245717 /nfs/dbraw/zinc/24/57/17/344245717.db2.gz MTFBGSZMKYXNNW-UHFFFAOYSA-N 0 0 182.133 1.145 10 0 ADAERN CC[C@H]1CC[C@H](C)N1C(=S)NC 164484748 344245728 /nfs/dbraw/zinc/24/57/28/344245728.db2.gz BZBLMLALXJLRTM-YUMQZZPRSA-N 0 0 186.324 1.754 10 0 ADAERN Cc1nnc(N[C@@H]2C[C@H]2C)nc1C 164493287 344245768 /nfs/dbraw/zinc/24/57/68/344245768.db2.gz BLLGADSRLNYSNK-SVGQVSJJSA-N 0 0 178.239 1.309 10 0 ADAERN Cc1nnc(N[C@H]2C[C@@H]2C)nc1C 164493191 344245816 /nfs/dbraw/zinc/24/58/16/344245816.db2.gz BLLGADSRLNYSNK-XNCJUZBTSA-N 0 0 178.239 1.309 10 0 ADAERN CC[C@@H]1CC[C@@H](C)N1C(=S)NC 164484872 344245819 /nfs/dbraw/zinc/24/58/19/344245819.db2.gz BZBLMLALXJLRTM-HTQZYQBOSA-N 0 0 186.324 1.754 10 0 ADAERN CC[C@@H]1CC[C@H](C)N1C(=S)NC 164484623 344245909 /nfs/dbraw/zinc/24/59/09/344245909.db2.gz BZBLMLALXJLRTM-JGVFFNPUSA-N 0 0 186.324 1.754 10 0 ADAERN Cc1cccnc1CCCO 164545909 344245982 /nfs/dbraw/zinc/24/59/82/344245982.db2.gz YHLNYHLKXBCWIY-UHFFFAOYSA-N 0 0 151.209 1.315 10 0 ADAERN Cc1ncc(NCC[C@@H](C)O)nc1C 164551347 344246304 /nfs/dbraw/zinc/24/63/04/344246304.db2.gz GXIRNUGVKMRZHT-SSDOTTSWSA-N 0 0 195.266 1.276 10 0 ADAERN c1cncc(CNN2CCCCC2)c1 164517632 344246311 /nfs/dbraw/zinc/24/63/11/344246311.db2.gz XCUWFWCYNBQHTH-UHFFFAOYSA-N 0 0 191.278 1.572 10 0 ADAERN Cc1ncc(NCC[C@H](C)O)nc1C 164551469 344246342 /nfs/dbraw/zinc/24/63/42/344246342.db2.gz GXIRNUGVKMRZHT-ZETCQYMHSA-N 0 0 195.266 1.276 10 0 ADAERN c1nsc(NCc2cncs2)n1 164542382 344246386 /nfs/dbraw/zinc/24/63/86/344246386.db2.gz TVTRMWJYHUODIN-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN c1cnnc(NCc2cncs2)c1 164539457 344246440 /nfs/dbraw/zinc/24/64/40/344246440.db2.gz CUIDHTXWEDUJCH-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN C[C@@H](c1cnc(CN)o1)C1CC1 164564186 344246535 /nfs/dbraw/zinc/24/65/35/344246535.db2.gz BWKOLCIHRKSYFC-ZCFIWIBFSA-N 0 0 166.224 1.647 10 0 ADAERN CC(C)(C)C(=O)NCc1cncs1 164564765 344246542 /nfs/dbraw/zinc/24/65/42/344246542.db2.gz MGAHOFAIHRLSIU-UHFFFAOYSA-N 0 0 198.291 1.805 10 0 ADAERN Cc1ccc(NCC(C)(C)CO)cn1 164578322 344246549 /nfs/dbraw/zinc/24/65/49/344246549.db2.gz QBZYQYXNCKBEKU-UHFFFAOYSA-N 0 0 194.278 1.820 10 0 ADAERN NC(=O)c1ccc2c(n1)CCCC2 164555228 344246558 /nfs/dbraw/zinc/24/65/58/344246558.db2.gz QUWKKJYNNFDBPH-UHFFFAOYSA-N 0 0 176.219 1.059 10 0 ADAERN C[C@H](c1cnc(CN)o1)C1CC1 164564294 344246746 /nfs/dbraw/zinc/24/67/46/344246746.db2.gz BWKOLCIHRKSYFC-LURJTMIESA-N 0 0 166.224 1.647 10 0 ADAERN C[C@H](c1nc(N)ns1)C1CC1 164561492 344246778 /nfs/dbraw/zinc/24/67/78/344246778.db2.gz VOOUKZNEMPLDQI-BYPYZUCNSA-N 0 0 169.253 1.634 10 0 ADAERN C[C@@H](c1nc(N)ns1)C1CC1 164561364 344246910 /nfs/dbraw/zinc/24/69/10/344246910.db2.gz VOOUKZNEMPLDQI-SCSAIBSYSA-N 0 0 169.253 1.634 10 0 ADAERN CON(C)C(=O)N1CCC[C@H](C)C1 164589172 344247297 /nfs/dbraw/zinc/24/72/97/344247297.db2.gz UOOZIULTSUNVIU-QMMMGPOBSA-N 0 0 186.255 1.332 10 0 ADAERN CON(C)C(=O)N1CCCCCC1 164589773 344247316 /nfs/dbraw/zinc/24/73/16/344247316.db2.gz BJPBQPDNFPLSAI-UHFFFAOYSA-N 0 0 186.255 1.476 10 0 ADAERN C[C@H](c1nnc(CN)s1)C1CC1 164591600 344247334 /nfs/dbraw/zinc/24/73/34/344247334.db2.gz AJRNFLMAQAGXSG-YFKPBYRVSA-N 0 0 183.280 1.510 10 0 ADAERN CC[C@H](C)[C@@H]([NH3+])c1cnsn1 164603767 344247585 /nfs/dbraw/zinc/24/75/85/344247585.db2.gz VKSYEWOGFYIJKN-CAHLUQPWSA-N 0 0 171.269 1.584 10 0 ADAERN CC[C@@](C)(CO)C1CC1 164613323 344247618 /nfs/dbraw/zinc/24/76/18/344247618.db2.gz OVSHGHWLQHXVJF-QMMMGPOBSA-N 0 0 128.215 1.805 10 0 ADAERN CC[C@H](C)[C@@H]([NH3+])c1cnns1 164610235 344247622 /nfs/dbraw/zinc/24/76/22/344247622.db2.gz HHUYTTAIPWSASR-CAHLUQPWSA-N 0 0 171.269 1.584 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])c1cnsn1 164603532 344247636 /nfs/dbraw/zinc/24/76/36/344247636.db2.gz VKSYEWOGFYIJKN-FSPLSTOPSA-N 0 0 171.269 1.584 10 0 ADAERN CCCNC(=O)N1CCCCO1 164603672 344247690 /nfs/dbraw/zinc/24/76/90/344247690.db2.gz DGXGZWSHSJPZGY-UHFFFAOYSA-N 0 0 172.228 1.133 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])c1cnns1 164609983 344247718 /nfs/dbraw/zinc/24/77/18/344247718.db2.gz HHUYTTAIPWSASR-FSPLSTOPSA-N 0 0 171.269 1.584 10 0 ADAERN CC[C@](C)(CO)C1CC1 164613435 344247741 /nfs/dbraw/zinc/24/77/41/344247741.db2.gz OVSHGHWLQHXVJF-MRVPVSSYSA-N 0 0 128.215 1.805 10 0 ADAERN CC[C@@H](C)[C@H]([NH3+])c1cnsn1 164603429 344247811 /nfs/dbraw/zinc/24/78/11/344247811.db2.gz VKSYEWOGFYIJKN-VDTYLAMSSA-N 0 0 171.269 1.584 10 0 ADAERN CC[C@@H](C)[C@@H]([NH3+])c1cnsn1 164603654 344247870 /nfs/dbraw/zinc/24/78/70/344247870.db2.gz VKSYEWOGFYIJKN-IYSWYEEDSA-N 0 0 171.269 1.584 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccc(C)nc1 164634794 344247956 /nfs/dbraw/zinc/24/79/56/344247956.db2.gz HPCBKYZLCQXJBH-MRVPVSSYSA-N 0 0 194.234 1.363 10 0 ADAERN COC(=O)[C@H](C)Nc1ccc(C)nc1 164634706 344248180 /nfs/dbraw/zinc/24/81/80/344248180.db2.gz HPCBKYZLCQXJBH-QMMMGPOBSA-N 0 0 194.234 1.363 10 0 ADAERN C=CC(=O)Nc1ccc(C)nc1 164653865 344248476 /nfs/dbraw/zinc/24/84/76/344248476.db2.gz FPZGDPIMWOARJR-UHFFFAOYSA-N 0 0 162.192 1.515 10 0 ADAERN CC[C@H](C)Cc1nc(N)no1 164662722 344248895 /nfs/dbraw/zinc/24/88/95/344248895.db2.gz ABIDXBVDTXLKNH-YFKPBYRVSA-N 0 0 155.201 1.240 10 0 ADAERN Cc1ccc(NC[C@H]2CCOC2)cn1 164654854 344248909 /nfs/dbraw/zinc/24/89/09/344248909.db2.gz HBULQGORTPGCMG-SNVBAGLBSA-N 0 0 192.262 1.838 10 0 ADAERN CC[C@@H](C)Cc1nc(N)no1 164662611 344249277 /nfs/dbraw/zinc/24/92/77/344249277.db2.gz ABIDXBVDTXLKNH-RXMQYKEDSA-N 0 0 155.201 1.240 10 0 ADAERN Cc1ccc(NC[C@@H]2CCOC2)cn1 164654739 344249292 /nfs/dbraw/zinc/24/92/92/344249292.db2.gz HBULQGORTPGCMG-JTQLQIEISA-N 0 0 192.262 1.838 10 0 ADAERN c1csc([C@H]2CSCCO2)n1 164700939 344249881 /nfs/dbraw/zinc/24/98/81/344249881.db2.gz UXSQLVHCFSOTGH-ZCFIWIBFSA-N 0 0 187.289 1.948 10 0 ADAERN CC[C@@H](C)CC1(O)CC1 164686755 344249900 /nfs/dbraw/zinc/24/99/00/344249900.db2.gz OFGHSKQDCVOJSX-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1ccncc1-c1noc(N)n1 164697972 344249958 /nfs/dbraw/zinc/24/99/58/344249958.db2.gz KKAYFYYAZNINTD-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1csc(-c2ccn(C)n2)n1 164689702 344249967 /nfs/dbraw/zinc/24/99/67/344249967.db2.gz WRLOUDWZLRVMTI-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN c1csc(C[C@H]2CCOC2)n1 164698856 344249993 /nfs/dbraw/zinc/24/99/93/344249993.db2.gz PYOCLRZMKGIJJS-SSDOTTSWSA-N 0 0 169.249 1.722 10 0 ADAERN c1csc(C[C@@H]2CCOC2)n1 164698773 344250007 /nfs/dbraw/zinc/25/00/07/344250007.db2.gz PYOCLRZMKGIJJS-ZETCQYMHSA-N 0 0 169.249 1.722 10 0 ADAERN c1csc([C@@H]2CSCCO2)n1 164700811 344250059 /nfs/dbraw/zinc/25/00/59/344250059.db2.gz UXSQLVHCFSOTGH-LURJTMIESA-N 0 0 187.289 1.948 10 0 ADAERN Cc1csc(-c2ncc[nH]2)n1 164692218 344250097 /nfs/dbraw/zinc/25/00/97/344250097.db2.gz IHNDWOZEJCCYIN-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN CC[C@H](C)CC1(O)CC1 164686864 344250102 /nfs/dbraw/zinc/25/01/02/344250102.db2.gz OFGHSKQDCVOJSX-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1cnc(-c2nccs2)nc1 164698661 344250145 /nfs/dbraw/zinc/25/01/45/344250145.db2.gz LIZOXCRBWXPPQI-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN c1n[nH]nc1-c1nc(C2CC2)cs1 164716059 344250392 /nfs/dbraw/zinc/25/03/92/344250392.db2.gz YSYHVFCHZJTWFA-UHFFFAOYSA-N 0 0 192.247 1.806 10 0 ADAERN CCc1csc(-c2cn[nH]n2)n1 164727188 344250816 /nfs/dbraw/zinc/25/08/16/344250816.db2.gz IWSDFWYCLCHZNB-UHFFFAOYSA-N 0 0 180.236 1.491 10 0 ADAERN Cc1ccc(N[C@H]2CCCOC2)cn1 164732563 344250889 /nfs/dbraw/zinc/25/08/89/344250889.db2.gz ZTTNOUKRERMUAY-NSHDSACASA-N 0 0 192.262 1.981 10 0 ADAERN C[C@H](O)[C@@H]1CNc2ccccc21 164731696 344250941 /nfs/dbraw/zinc/25/09/41/344250941.db2.gz DWIQBZXFRQYKQI-CBAPKCEASA-N 0 0 163.220 1.577 10 0 ADAERN C[C@H](O)[C@H]1CNc2ccccc21 164731920 344250954 /nfs/dbraw/zinc/25/09/54/344250954.db2.gz DWIQBZXFRQYKQI-IONNQARKSA-N 0 0 163.220 1.577 10 0 ADAERN C[C@@H](O)[C@H]1CNc2ccccc21 164732024 344250984 /nfs/dbraw/zinc/25/09/84/344250984.db2.gz DWIQBZXFRQYKQI-VXNVDRBHSA-N 0 0 163.220 1.577 10 0 ADAERN C[C@@H](O)[C@@H]1CNc2ccccc21 164731794 344251067 /nfs/dbraw/zinc/25/10/67/344251067.db2.gz DWIQBZXFRQYKQI-APPZFPTMSA-N 0 0 163.220 1.577 10 0 ADAERN Cn1nccc1-c1nccc(Cl)n1 164733987 344251142 /nfs/dbraw/zinc/25/11/42/344251142.db2.gz NXCOOTJLWVDYHE-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1nccc1[C@@H](O)C1=COCCC1 164756809 344251257 /nfs/dbraw/zinc/25/12/57/344251257.db2.gz NPYJQIYLFQCDSI-JTQLQIEISA-N 0 0 194.234 1.148 10 0 ADAERN Cc1cnc([C@H]2CCOC2)s1 164745386 344251259 /nfs/dbraw/zinc/25/12/59/344251259.db2.gz XRSQVBFCBTUCCR-ZETCQYMHSA-N 0 0 169.249 1.955 10 0 ADAERN CCOCc1ncc(C)s1 164748488 344251352 /nfs/dbraw/zinc/25/13/52/344251352.db2.gz PNWFHJDREYWZGS-UHFFFAOYSA-N 0 0 157.238 1.988 10 0 ADAERN COCCc1ncc(C)s1 164750608 344251477 /nfs/dbraw/zinc/25/14/77/344251477.db2.gz UYKIVJDUFHYDIZ-UHFFFAOYSA-N 0 0 157.238 1.640 10 0 ADAERN Cc1ccc(NC2COC2)cn1 164753723 344251482 /nfs/dbraw/zinc/25/14/82/344251482.db2.gz QVLKIECDTVILNI-UHFFFAOYSA-N 0 0 164.208 1.201 10 0 ADAERN Cc1cnc(-c2ccn(C)n2)s1 164758208 344251510 /nfs/dbraw/zinc/25/15/10/344251510.db2.gz OFWSUNZLMZGZAS-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN Cc1cnc(-c2cnccn2)s1 164742315 344251542 /nfs/dbraw/zinc/25/15/42/344251542.db2.gz FWNXYZVIGRVBRQ-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN Cc1cnc([C@@H]2CCOC2)s1 164745276 344251547 /nfs/dbraw/zinc/25/15/47/344251547.db2.gz XRSQVBFCBTUCCR-SSDOTTSWSA-N 0 0 169.249 1.955 10 0 ADAERN Cc1cnc(-c2cn[nH]n2)s1 164754596 344251600 /nfs/dbraw/zinc/25/16/00/344251600.db2.gz CVLWJHBMDMFPFV-UHFFFAOYSA-N 0 0 166.209 1.237 10 0 ADAERN CC[C@@H]1CS[C@@H](c2ccnn2C)N1 164768992 344251716 /nfs/dbraw/zinc/25/17/16/344251716.db2.gz XLISKCRQXFXDSE-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccnn2C)SC1 164768023 344251719 /nfs/dbraw/zinc/25/17/19/344251719.db2.gz UGFJAUMKPKXGLA-VXNVDRBHSA-N 0 0 197.307 1.391 10 0 ADAERN C[C@@H]1CN[C@H](c2ccnn2C)SC1 164767790 344251723 /nfs/dbraw/zinc/25/17/23/344251723.db2.gz UGFJAUMKPKXGLA-APPZFPTMSA-N 0 0 197.307 1.391 10 0 ADAERN C[C@H]1CN[C@H](c2ccnn2C)S1 164766296 344251727 /nfs/dbraw/zinc/25/17/27/344251727.db2.gz LRNAVROITOORMT-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@H]1CCS[C@H](c2ccnn2C)N1 164767444 344251733 /nfs/dbraw/zinc/25/17/33/344251733.db2.gz POTXEGFBHUIBQA-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN CC[C@H]1CS[C@@H](c2ccnn2C)N1 164769102 344251738 /nfs/dbraw/zinc/25/17/38/344251738.db2.gz XLISKCRQXFXDSE-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN CC[C@@H]1CS[C@H](c2ccnn2C)N1 164768739 344251744 /nfs/dbraw/zinc/25/17/44/344251744.db2.gz XLISKCRQXFXDSE-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CN[C@@H](c2ccnn2C)SC1 164768141 344251762 /nfs/dbraw/zinc/25/17/62/344251762.db2.gz UGFJAUMKPKXGLA-IONNQARKSA-N 0 0 197.307 1.391 10 0 ADAERN Cn1nccc1-c1nc(C=O)cs1 164763529 344251775 /nfs/dbraw/zinc/25/17/75/344251775.db2.gz CRHWEBAWFOZDHE-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN CC[C@H]1CS[C@H](c2ccnn2C)N1 164768867 344251784 /nfs/dbraw/zinc/25/17/84/344251784.db2.gz XLISKCRQXFXDSE-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CCS[C@@H](c2ccnn2C)N1 164767665 344251788 /nfs/dbraw/zinc/25/17/88/344251788.db2.gz POTXEGFBHUIBQA-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CCN[C@@H](c2ccnn2C)S1 164768618 344251806 /nfs/dbraw/zinc/25/18/06/344251806.db2.gz QKJCVGSRUJLUIK-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CN[C@H](c2ccnn2C)SC1 164767903 344251815 /nfs/dbraw/zinc/25/18/15/344251815.db2.gz UGFJAUMKPKXGLA-CBAPKCEASA-N 0 0 197.307 1.391 10 0 ADAERN C[C@@H]1CCN[C@H](c2ccnn2C)S1 164768271 344251822 /nfs/dbraw/zinc/25/18/22/344251822.db2.gz QKJCVGSRUJLUIK-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CS[C@@H](c2ccnn2C)N1 164767004 344251851 /nfs/dbraw/zinc/25/18/51/344251851.db2.gz SLXZQYFZAQEGKB-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CS[C@H](c2ccnn2C)N1 164766654 344251858 /nfs/dbraw/zinc/25/18/58/344251858.db2.gz SLXZQYFZAQEGKB-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CN[C@H](c2ccnn2C)S1 164766184 344251860 /nfs/dbraw/zinc/25/18/60/344251860.db2.gz LRNAVROITOORMT-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN CCc1cnc(N2CCOCC2)s1 164763505 344251872 /nfs/dbraw/zinc/25/18/72/344251872.db2.gz DZVQRXNTSYEDPM-UHFFFAOYSA-N 0 0 198.291 1.542 10 0 ADAERN Cn1nccc1[C@H]1NC(C)(C)CS1 164769340 344251900 /nfs/dbraw/zinc/25/19/00/344251900.db2.gz ZFLHDDXKQQCGBK-QMMMGPOBSA-N 0 0 197.307 1.534 10 0 ADAERN Cn1nccc1[C@@H]1NC(C)(C)CS1 164769229 344251905 /nfs/dbraw/zinc/25/19/05/344251905.db2.gz ZFLHDDXKQQCGBK-MRVPVSSYSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CN[C@@H](c2ccnn2C)S1 164766533 344251923 /nfs/dbraw/zinc/25/19/23/344251923.db2.gz LRNAVROITOORMT-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN Cn1nccc1-c1ncc(C=O)s1 164759641 344251952 /nfs/dbraw/zinc/25/19/52/344251952.db2.gz CRAQXAHYIIYCLC-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN C[C@H]1CCN[C@H](c2ccnn2C)S1 164768361 344251956 /nfs/dbraw/zinc/25/19/56/344251956.db2.gz QKJCVGSRUJLUIK-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN C[C@@H]1CCS[C@H](c2ccnn2C)N1 164767338 344251958 /nfs/dbraw/zinc/25/19/58/344251958.db2.gz POTXEGFBHUIBQA-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CS[C@H](c2ccnn2C)N1 164766765 344251965 /nfs/dbraw/zinc/25/19/65/344251965.db2.gz SLXZQYFZAQEGKB-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccnn2C)S1 164766419 344251969 /nfs/dbraw/zinc/25/19/69/344251969.db2.gz LRNAVROITOORMT-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN Cn1nccc1-c1noc(Cl)n1 164759391 344251989 /nfs/dbraw/zinc/25/19/89/344251989.db2.gz QTJFZAOXOZRMPK-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN C[C@@H]1CCN[C@@H](c2ccnn2C)S1 164768484 344251991 /nfs/dbraw/zinc/25/19/91/344251991.db2.gz QKJCVGSRUJLUIK-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN Cn1nccc1[C@H]1NCCCS1 164767239 344251998 /nfs/dbraw/zinc/25/19/98/344251998.db2.gz JULIJJSZEBWEMS-QMMMGPOBSA-N 0 0 183.280 1.145 10 0 ADAERN CCc1cnc(-c2cn[nH]n2)s1 164774461 344252246 /nfs/dbraw/zinc/25/22/46/344252246.db2.gz HZWUJRIHWRDJNN-UHFFFAOYSA-N 0 0 180.236 1.491 10 0 ADAERN CC[C@@H](C)Cc1nc(N)ns1 164794614 344252504 /nfs/dbraw/zinc/25/25/04/344252504.db2.gz BSVYRXIINQKKSB-RXMQYKEDSA-N 0 0 171.269 1.709 10 0 ADAERN CC[C@H](C)Cc1nc(N)ns1 164794741 344252653 /nfs/dbraw/zinc/25/26/53/344252653.db2.gz BSVYRXIINQKKSB-YFKPBYRVSA-N 0 0 171.269 1.709 10 0 ADAERN CCSCCNc1cnn(C)c1 164802423 344252741 /nfs/dbraw/zinc/25/27/41/344252741.db2.gz LSHLSBZBNPSATN-UHFFFAOYSA-N 0 0 185.296 1.585 10 0 ADAERN CC[C@H](C)Cc1cc(N)no1 164826328 344252900 /nfs/dbraw/zinc/25/29/00/344252900.db2.gz FWADBCMSVBRASE-LURJTMIESA-N 0 0 154.213 1.845 10 0 ADAERN Cc1ccncc1C(=O)c1cncnc1 164826681 344253040 /nfs/dbraw/zinc/25/30/40/344253040.db2.gz BTXMHYPYJTXPTA-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CNc1ncc(-c2ccnn2C)s1 164823620 344253093 /nfs/dbraw/zinc/25/30/93/344253093.db2.gz FVTKTAFLCWTYDE-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN CC[C@@H](C)Cc1cc(N)no1 164826206 344253199 /nfs/dbraw/zinc/25/31/99/344253199.db2.gz FWADBCMSVBRASE-ZCFIWIBFSA-N 0 0 154.213 1.845 10 0 ADAERN C[C@@H](c1ocnc1C[NH3+])C1CC1 164855635 344253305 /nfs/dbraw/zinc/25/33/05/344253305.db2.gz PSCGPVMCKUUVOB-ZCFIWIBFSA-N 0 0 166.224 1.647 10 0 ADAERN C[C@@H](c1nncn1C)C1CC1 164863848 344253339 /nfs/dbraw/zinc/25/33/39/344253339.db2.gz BGVXRJPMRJEULG-ZCFIWIBFSA-N 0 0 151.213 1.329 10 0 ADAERN CC(=O)CC(=O)Nc1ccc(C)nc1 164858487 344253351 /nfs/dbraw/zinc/25/33/51/344253351.db2.gz DDHJMJLIXGDPJW-UHFFFAOYSA-N 0 0 192.218 1.308 10 0 ADAERN C[C@@H](c1cc(N)no1)C1CC1 164839837 344253476 /nfs/dbraw/zinc/25/34/76/344253476.db2.gz IEQIQUZTFLHWIO-RXMQYKEDSA-N 0 0 152.197 1.770 10 0 ADAERN C[C@H](c1cc(N)no1)C1CC1 164839954 344253495 /nfs/dbraw/zinc/25/34/95/344253495.db2.gz IEQIQUZTFLHWIO-YFKPBYRVSA-N 0 0 152.197 1.770 10 0 ADAERN C[C@H](c1ocnc1C[NH3+])C1CC1 164855761 344253512 /nfs/dbraw/zinc/25/35/12/344253512.db2.gz PSCGPVMCKUUVOB-LURJTMIESA-N 0 0 166.224 1.647 10 0 ADAERN C[C@H](c1nncn1C)C1CC1 164863946 344253542 /nfs/dbraw/zinc/25/35/42/344253542.db2.gz BGVXRJPMRJEULG-LURJTMIESA-N 0 0 151.213 1.329 10 0 ADAERN Cc1ccc(-n2cc[nH]c2=S)cn1 164890718 344253691 /nfs/dbraw/zinc/25/36/91/344253691.db2.gz HXMUZDLCTVVUSA-UHFFFAOYSA-N 0 0 191.259 1.864 10 0 ADAERN Cc1ccc(N2CN=NC2=S)cn1 164892504 344253888 /nfs/dbraw/zinc/25/38/88/344253888.db2.gz AJQWCAJNPKBSKU-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN Cc1ccc(N2CCC(=O)C2)cn1 164869613 344253895 /nfs/dbraw/zinc/25/38/95/344253895.db2.gz PXUHHWSFZHLTKW-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN Cc1ccc(NC2=NCCS2)cn1 164903490 344254124 /nfs/dbraw/zinc/25/41/24/344254124.db2.gz VDBREAWZCQOLEN-UHFFFAOYSA-N 0 0 193.275 1.905 10 0 ADAERN Cc1cccnc1N[C@@H](C)C[C@H](C)O 164912851 344254138 /nfs/dbraw/zinc/25/41/38/344254138.db2.gz YWFWSYAELBQIOT-UWVGGRQHSA-N 0 0 194.278 1.961 10 0 ADAERN Cc1ccncc1-c1ncc[nH]1 164905936 344254174 /nfs/dbraw/zinc/25/41/74/344254174.db2.gz FFXLEKLKDUVVHS-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN Cc1cccnc1N[C@@H](C)C[C@@H](C)O 164912628 344254228 /nfs/dbraw/zinc/25/42/28/344254228.db2.gz YWFWSYAELBQIOT-VHSXEESVSA-N 0 0 194.278 1.961 10 0 ADAERN Cc1cccnc1N[C@H](C)C[C@H](C)O 164912969 344254278 /nfs/dbraw/zinc/25/42/78/344254278.db2.gz YWFWSYAELBQIOT-ZJUUUORDSA-N 0 0 194.278 1.961 10 0 ADAERN COc1nc(Cl)cs1 164914721 344254283 /nfs/dbraw/zinc/25/42/83/344254283.db2.gz ZJVJELZRYKKHNW-UHFFFAOYSA-N 0 0 149.602 1.805 10 0 ADAERN Cc1cccnc1N[C@H](C)C[C@@H](C)O 164912736 344254326 /nfs/dbraw/zinc/25/43/26/344254326.db2.gz YWFWSYAELBQIOT-NXEZZACHSA-N 0 0 194.278 1.961 10 0 ADAERN CCn1nccc1-c1nsc(N)n1 164899950 344254369 /nfs/dbraw/zinc/25/43/69/344254369.db2.gz FYKCHHFXSUATDV-UHFFFAOYSA-N 0 0 195.251 1.004 10 0 ADAERN OCCOc1nc(Cl)cs1 164919782 344254496 /nfs/dbraw/zinc/25/44/96/344254496.db2.gz XGWPGHBNFQSGBS-UHFFFAOYSA-N 0 0 179.628 1.168 10 0 ADAERN Cc1ccc(-n2cccc2C=O)cn1 164918387 344254557 /nfs/dbraw/zinc/25/45/57/344254557.db2.gz RPDXIGNBBBVZBK-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN Cc1ccncc1-c1nc(Cl)n[nH]1 164919414 344254699 /nfs/dbraw/zinc/25/46/99/344254699.db2.gz ZZHWDBFRKUVOAQ-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN C[C@@]1(c2nc(CN)no2)CCCS1 164932914 344254738 /nfs/dbraw/zinc/25/47/38/344254738.db2.gz CXHZVIUXYGOVDD-QMMMGPOBSA-N 0 0 199.279 1.271 10 0 ADAERN CCn1nccc1-c1noc(Cl)n1 164929366 344254777 /nfs/dbraw/zinc/25/47/77/344254777.db2.gz NHHOZHTWVDEFAZ-UHFFFAOYSA-N 0 0 198.613 1.606 10 0 ADAERN OC1CN(Cc2cc(F)cc(F)c2)C1 164925862 344254785 /nfs/dbraw/zinc/25/47/85/344254785.db2.gz ZAZSIYLDNLWAQY-UHFFFAOYSA-N 0 0 199.200 1.141 10 0 ADAERN C[C@]1(c2nc(CN)no2)CCCS1 164932824 344254848 /nfs/dbraw/zinc/25/48/48/344254848.db2.gz CXHZVIUXYGOVDD-MRVPVSSYSA-N 0 0 199.279 1.271 10 0 ADAERN CCn1nccc1[C@H]1N[C@@H](C)CS1 164940724 344255000 /nfs/dbraw/zinc/25/50/00/344255000.db2.gz QPNZHJPHQIVHFD-CBAPKCEASA-N 0 0 197.307 1.627 10 0 ADAERN CCn1nccc1[C@@H]1NC[C@@H](C)S1 164939634 344255087 /nfs/dbraw/zinc/25/50/87/344255087.db2.gz JAKMSXZMHCLAHE-VXNVDRBHSA-N 0 0 197.307 1.627 10 0 ADAERN CCn1nccc1[C@H]1NC[C@H](C)S1 164939519 344255069 /nfs/dbraw/zinc/25/50/69/344255069.db2.gz JAKMSXZMHCLAHE-CBAPKCEASA-N 0 0 197.307 1.627 10 0 ADAERN CCn1nccc1[C@@H]1NCCCS1 164941339 344255080 /nfs/dbraw/zinc/25/50/80/344255080.db2.gz FXBVZNUNSKNTAW-SECBINFHSA-N 0 0 197.307 1.628 10 0 ADAERN CCn1nccc1[C@@H]1N[C@H](C)CS1 164940346 344255104 /nfs/dbraw/zinc/25/51/04/344255104.db2.gz QPNZHJPHQIVHFD-VXNVDRBHSA-N 0 0 197.307 1.627 10 0 ADAERN CCn1nccc1[C@H]1NC[C@@H](C)S1 164939748 344255193 /nfs/dbraw/zinc/25/51/93/344255193.db2.gz JAKMSXZMHCLAHE-APPZFPTMSA-N 0 0 197.307 1.627 10 0 ADAERN CCn1nccc1[C@H]1NCCCS1 164941462 344255203 /nfs/dbraw/zinc/25/52/03/344255203.db2.gz FXBVZNUNSKNTAW-VIFPVBQESA-N 0 0 197.307 1.628 10 0 ADAERN CSCCOc1ccccc1CO 164944654 344255210 /nfs/dbraw/zinc/25/52/10/344255210.db2.gz XJJRUTVWVBZIOL-UHFFFAOYSA-N 0 0 198.287 1.921 10 0 ADAERN CCn1nccc1[C@@H]1N[C@@H](C)CS1 164940600 344255282 /nfs/dbraw/zinc/25/52/82/344255282.db2.gz QPNZHJPHQIVHFD-IONNQARKSA-N 0 0 197.307 1.627 10 0 ADAERN CCn1nccc1[C@H]1N[C@H](C)CS1 164940477 344255300 /nfs/dbraw/zinc/25/53/00/344255300.db2.gz QPNZHJPHQIVHFD-APPZFPTMSA-N 0 0 197.307 1.627 10 0 ADAERN OCc1cccc(C2OCCO2)c1 164942005 344255305 /nfs/dbraw/zinc/25/53/05/344255305.db2.gz YYTSEFIKDBVCGF-UHFFFAOYSA-N 0 0 180.203 1.224 10 0 ADAERN CCn1nccc1[C@@H]1NC[C@H](C)S1 164939405 344255309 /nfs/dbraw/zinc/25/53/09/344255309.db2.gz JAKMSXZMHCLAHE-IONNQARKSA-N 0 0 197.307 1.627 10 0 ADAERN O[C@@H](Cc1cccnc1)C1CCC1 164963594 344255502 /nfs/dbraw/zinc/25/55/02/344255502.db2.gz KADHRTVATHQKTL-NSHDSACASA-N 0 0 177.247 1.785 10 0 ADAERN C[C@@]1(c2nnc(CN)o2)CCCS1 164951597 344255505 /nfs/dbraw/zinc/25/55/05/344255505.db2.gz MAJJUMDATZEIAA-QMMMGPOBSA-N 0 0 199.279 1.271 10 0 ADAERN C[C@]1(c2nnc(CN)o2)CCCS1 164951507 344255552 /nfs/dbraw/zinc/25/55/52/344255552.db2.gz MAJJUMDATZEIAA-MRVPVSSYSA-N 0 0 199.279 1.271 10 0 ADAERN O[C@H](Cc1cccnc1)C1CCC1 164963716 344255579 /nfs/dbraw/zinc/25/55/79/344255579.db2.gz KADHRTVATHQKTL-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN N[C@H](C1=COCCC1)c1cnns1 164986169 344255985 /nfs/dbraw/zinc/25/59/85/344255985.db2.gz VQXOSTKHYCZCNM-MRVPVSSYSA-N 0 0 197.263 1.232 10 0 ADAERN Cc1ccc(N2CC[C@H](CO)C2)cn1 164979840 344256033 /nfs/dbraw/zinc/25/60/33/344256033.db2.gz NIEHEQCAINYWEG-JTQLQIEISA-N 0 0 192.262 1.209 10 0 ADAERN OC/C=C\c1cccc(O)c1 164979431 344256086 /nfs/dbraw/zinc/25/60/86/344256086.db2.gz DLIYAKCMSBOEGO-RQOWECAXSA-N 0 0 150.177 1.398 10 0 ADAERN Cc1ccc(-n2cnnc2Cl)cn1 164976606 344256169 /nfs/dbraw/zinc/25/61/69/344256169.db2.gz SASNKOQHRFHTMH-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1ccc(N2CC[C@@H](CO)C2)cn1 164980013 344256206 /nfs/dbraw/zinc/25/62/06/344256206.db2.gz NIEHEQCAINYWEG-SNVBAGLBSA-N 0 0 192.262 1.209 10 0 ADAERN N[C@@H](C1=COCCC1)c1cnns1 164986289 344256253 /nfs/dbraw/zinc/25/62/53/344256253.db2.gz VQXOSTKHYCZCNM-QMMMGPOBSA-N 0 0 197.263 1.232 10 0 ADAERN CC(=O)Nc1cc(C)c(N)cc1C 164969651 344256350 /nfs/dbraw/zinc/25/63/50/344256350.db2.gz ULWRRNFOVYHBIH-UHFFFAOYSA-N 0 0 178.235 1.844 10 0 ADAERN c1cn2cc([C@@H]3CCOC3)nc2s1 165001553 344256527 /nfs/dbraw/zinc/25/65/27/344256527.db2.gz FEVLXDLEMWRRFQ-SSDOTTSWSA-N 0 0 194.259 1.900 10 0 ADAERN C[C@H](O)c1nc([C@H]2CCOC2)cs1 164993577 344256536 /nfs/dbraw/zinc/25/65/36/344256536.db2.gz PIWICGDKLHANBQ-BQBZGAKWSA-N 0 0 199.275 1.700 10 0 ADAERN S=c1[nH]c([C@@H]2CCOC2)cs1 164994319 344256567 /nfs/dbraw/zinc/25/65/67/344256567.db2.gz VQWKAWVVLBERPE-RXMQYKEDSA-N 0 0 187.289 1.936 10 0 ADAERN C[C@H](O)c1nc([C@@H]2CCOC2)cs1 164993335 344256572 /nfs/dbraw/zinc/25/65/72/344256572.db2.gz PIWICGDKLHANBQ-NKWVEPMBSA-N 0 0 199.275 1.700 10 0 ADAERN c1cn2cc([C@H]3CCOC3)nc2cn1 165002465 344256601 /nfs/dbraw/zinc/25/66/01/344256601.db2.gz UARGIUQQGCIBSQ-QMMMGPOBSA-N 0 0 189.218 1.233 10 0 ADAERN c1cn2cc([C@@H]3CCOC3)nc2cn1 165002334 344256613 /nfs/dbraw/zinc/25/66/13/344256613.db2.gz UARGIUQQGCIBSQ-MRVPVSSYSA-N 0 0 189.218 1.233 10 0 ADAERN O=Cc1nc([C@@H]2CCOC2)cs1 164992080 344256629 /nfs/dbraw/zinc/25/66/29/344256629.db2.gz LFJKMIPMKLYREA-ZCFIWIBFSA-N 0 0 183.232 1.460 10 0 ADAERN O=Cc1nc([C@H]2CCOC2)cs1 164992201 344256658 /nfs/dbraw/zinc/25/66/58/344256658.db2.gz LFJKMIPMKLYREA-LURJTMIESA-N 0 0 183.232 1.460 10 0 ADAERN C[C@@H](O)c1nc([C@H]2CCOC2)cs1 164993688 344256679 /nfs/dbraw/zinc/25/66/79/344256679.db2.gz PIWICGDKLHANBQ-RQJHMYQMSA-N 0 0 199.275 1.700 10 0 ADAERN S=c1[nH]c([C@H]2CCOC2)cs1 164994448 344256683 /nfs/dbraw/zinc/25/66/83/344256683.db2.gz VQWKAWVVLBERPE-YFKPBYRVSA-N 0 0 187.289 1.936 10 0 ADAERN c1cnc2nc([C@H]3CCOC3)cn2c1 165002205 344256713 /nfs/dbraw/zinc/25/67/13/344256713.db2.gz YFOQAEQSKMSNFU-QMMMGPOBSA-N 0 0 189.218 1.233 10 0 ADAERN c1cn2cc([C@H]3CCOC3)nc2s1 165001680 344256721 /nfs/dbraw/zinc/25/67/21/344256721.db2.gz FEVLXDLEMWRRFQ-ZETCQYMHSA-N 0 0 194.259 1.900 10 0 ADAERN c1cnc2nc([C@@H]3CCOC3)cn2c1 165002081 344256770 /nfs/dbraw/zinc/25/67/70/344256770.db2.gz YFOQAEQSKMSNFU-MRVPVSSYSA-N 0 0 189.218 1.233 10 0 ADAERN C[C@@H](O)c1nc([C@@H]2CCOC2)cs1 164993459 344256778 /nfs/dbraw/zinc/25/67/78/344256778.db2.gz PIWICGDKLHANBQ-RNFRBKRXSA-N 0 0 199.275 1.700 10 0 ADAERN CCCCC(=O)[C@](C)(O)C(C)=O 165024586 344257112 /nfs/dbraw/zinc/25/71/12/344257112.db2.gz OGEBXSMSFZTTFY-SECBINFHSA-N 0 0 172.224 1.086 10 0 ADAERN Cc1csc([C@@H]2CO2)n1 165041209 344257121 /nfs/dbraw/zinc/25/71/21/344257121.db2.gz YXSPPRSFJICADI-YFKPBYRVSA-N 0 0 141.195 1.523 10 0 ADAERN Cc1cc(F)cc(F)c1N 165010252 344257238 /nfs/dbraw/zinc/25/72/38/344257238.db2.gz YOUATWOIMFYCAR-UHFFFAOYSA-N 0 0 143.136 1.855 10 0 ADAERN Cc1csc([C@H]2CO2)n1 165041337 344257239 /nfs/dbraw/zinc/25/72/39/344257239.db2.gz YXSPPRSFJICADI-RXMQYKEDSA-N 0 0 141.195 1.523 10 0 ADAERN CCn1c(C2CC2)nc(Cl)cc1=O 165019850 344257242 /nfs/dbraw/zinc/25/72/42/344257242.db2.gz FNWMCMSXBBXASR-UHFFFAOYSA-N 0 0 198.653 1.794 10 0 ADAERN C[C@@H](O)C[C@@H](C)Nc1ccnc(F)c1 165043854 344257403 /nfs/dbraw/zinc/25/74/03/344257403.db2.gz ZISSYJPZALEMKD-HTQZYQBOSA-N 0 0 198.241 1.792 10 0 ADAERN C[C@H](O)C[C@@H](C)Nc1ccnc(F)c1 165044090 344257408 /nfs/dbraw/zinc/25/74/08/344257408.db2.gz ZISSYJPZALEMKD-SFYZADRCSA-N 0 0 198.241 1.792 10 0 ADAERN C[C@H](O)C[C@H](C)Nc1ccnc(F)c1 165043973 344257539 /nfs/dbraw/zinc/25/75/39/344257539.db2.gz ZISSYJPZALEMKD-YUMQZZPRSA-N 0 0 198.241 1.792 10 0 ADAERN C[C@@H](C[C@@H](C)O)Nc1ccnc(F)c1 165043759 344257575 /nfs/dbraw/zinc/25/75/75/344257575.db2.gz ZISSYJPZALEMKD-JGVFFNPUSA-N 0 0 198.241 1.792 10 0 ADAERN CCCNC(=O)c1cc(N)cc(F)c1 165095116 344257863 /nfs/dbraw/zinc/25/78/63/344257863.db2.gz GDWBGAGEZFVLAW-UHFFFAOYSA-N 0 0 196.225 1.548 10 0 ADAERN CN(C)Nc1nc(Cl)cs1 165081284 344257939 /nfs/dbraw/zinc/25/79/39/344257939.db2.gz UACYMIZGOIROFX-UHFFFAOYSA-N 0 0 177.660 1.685 10 0 ADAERN Cc1ccc(NC(=O)CCCO)cn1 165080365 344257982 /nfs/dbraw/zinc/25/79/82/344257982.db2.gz AQRFHALGDUUCMF-UHFFFAOYSA-N 0 0 194.234 1.101 10 0 ADAERN C/C=C/Cn1ccnc(Cl)c1=O 165095411 344257985 /nfs/dbraw/zinc/25/79/85/344257985.db2.gz DTZVOUXNDFYJNE-NSCUHMNNSA-N 0 0 184.626 1.473 10 0 ADAERN Cc1ccoc1[C@@H](O)c1cnccn1 165085925 344258049 /nfs/dbraw/zinc/25/80/49/344258049.db2.gz MKAKSNGYECDLHK-VIFPVBQESA-N 0 0 190.202 1.460 10 0 ADAERN O=c1c(Cl)nccn1CC1CCC1 165099272 344258090 /nfs/dbraw/zinc/25/80/90/344258090.db2.gz CKTBWSYIMNRHFC-UHFFFAOYSA-N 0 0 198.653 1.697 10 0 ADAERN Nc1cc(F)cc(C(=O)NC2CC2)c1 165099807 344258097 /nfs/dbraw/zinc/25/80/97/344258097.db2.gz LLDQEIGASXUCFO-UHFFFAOYSA-N 0 0 194.209 1.300 10 0 ADAERN O=c1c(Cl)nccn1CC(F)F 165087594 344258102 /nfs/dbraw/zinc/25/81/02/344258102.db2.gz TYTJKUWIAXGFCV-UHFFFAOYSA-N 0 0 194.568 1.162 10 0 ADAERN CN(C)c1nc(Cl)cs1 165109289 344258355 /nfs/dbraw/zinc/25/83/55/344258355.db2.gz HRZIHPZRWBIRSA-UHFFFAOYSA-N 0 0 162.645 1.863 10 0 ADAERN C=CC(=O)Nc1cccc(F)n1 165159132 344258857 /nfs/dbraw/zinc/25/88/57/344258857.db2.gz AVDZMEGCORMTCA-UHFFFAOYSA-N 0 0 166.155 1.345 10 0 ADAERN CC[C@H](NN)c1ccoc1 167101965 344297188 /nfs/dbraw/zinc/29/71/88/344297188.db2.gz IRFZTQVEVNONQO-ZETCQYMHSA-N 0 0 140.186 1.194 10 0 ADAERN Cc1nc(NC(C)C)cc(=O)[nH]1 165164486 344258892 /nfs/dbraw/zinc/25/88/92/344258892.db2.gz LAXFPXLWPJRFNU-UHFFFAOYSA-N 0 0 167.212 1.311 10 0 ADAERN C/C=C/C(=O)Nc1cccc(F)n1 165159619 344258904 /nfs/dbraw/zinc/25/89/04/344258904.db2.gz RLWSEODSZFFQBW-DUXPYHPUSA-N 0 0 180.182 1.735 10 0 ADAERN CC(C)[C@@H](C)Nc1cc(=O)[nH]cn1 165163226 344258994 /nfs/dbraw/zinc/25/89/94/344258994.db2.gz RCENZDCIOBOQSV-SSDOTTSWSA-N 0 0 181.239 1.226 10 0 ADAERN C/C=C/C(=O)Nc1nnc(C)c(C)n1 165152424 344259087 /nfs/dbraw/zinc/25/90/87/344259087.db2.gz QKISGMYKLSIGQE-SNAWJCMRSA-N 0 0 192.222 1.003 10 0 ADAERN CN(C)C(=O)c1cc(N)cc(Cl)c1 165147910 344259106 /nfs/dbraw/zinc/25/91/06/344259106.db2.gz CDRLCZWUDDDVHZ-UHFFFAOYSA-N 0 0 198.653 1.624 10 0 ADAERN CNc1nc(N)cc(C(F)(F)F)n1 165128979 344259107 /nfs/dbraw/zinc/25/91/07/344259107.db2.gz AYKLFYJOYIBHHB-UHFFFAOYSA-N 0 0 192.144 1.119 10 0 ADAERN N#CN1CCCc2ccccc21 165214064 344259959 /nfs/dbraw/zinc/25/99/59/344259959.db2.gz SGNCPGGSUNJYTH-UHFFFAOYSA-N 0 0 158.204 1.920 10 0 ADAERN CC(=O)[C@]1(C)CC[C@@H](O)C1(C)C 165217018 344260089 /nfs/dbraw/zinc/26/00/89/344260089.db2.gz QYCFATJQHVSNLK-SCZZXKLOSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)(C)CNc1cc(=O)[nH]cn1 165211675 344260149 /nfs/dbraw/zinc/26/01/49/344260149.db2.gz YTWCAKCCYFGUEJ-UHFFFAOYSA-N 0 0 181.239 1.228 10 0 ADAERN Clc1csc(-n2cncn2)n1 165236064 344260408 /nfs/dbraw/zinc/26/04/08/344260408.db2.gz NDLUSOUYBOYPGS-UHFFFAOYSA-N 0 0 186.627 1.377 10 0 ADAERN Cc1nc(N[C@H]2C[C@H]2C)cc(=O)[nH]1 165250348 344260414 /nfs/dbraw/zinc/26/04/14/344260414.db2.gz CVHQONUNEGFBSJ-VDTYLAMSSA-N 0 0 179.223 1.311 10 0 ADAERN Clc1csc(-n2cccn2)n1 165235790 344260508 /nfs/dbraw/zinc/26/05/08/344260508.db2.gz KELHLYHBKRGHRO-UHFFFAOYSA-N 0 0 185.639 1.982 10 0 ADAERN Cc1nc(N[C@H]2C[C@@H]2C)cc(=O)[nH]1 165250106 344260533 /nfs/dbraw/zinc/26/05/33/344260533.db2.gz CVHQONUNEGFBSJ-FSPLSTOPSA-N 0 0 179.223 1.311 10 0 ADAERN Cc1nc(N[C@@H]2C[C@@H]2C)cc(=O)[nH]1 165249981 344260540 /nfs/dbraw/zinc/26/05/40/344260540.db2.gz CVHQONUNEGFBSJ-CAHLUQPWSA-N 0 0 179.223 1.311 10 0 ADAERN CCN(C)C(=O)c1cc(N)cc(F)c1 165247385 344260564 /nfs/dbraw/zinc/26/05/64/344260564.db2.gz VQPILRGSEXJEEM-UHFFFAOYSA-N 0 0 196.225 1.500 10 0 ADAERN Cc1nc(N[C@@H]2C[C@H]2C)cc(=O)[nH]1 165250236 344260646 /nfs/dbraw/zinc/26/06/46/344260646.db2.gz CVHQONUNEGFBSJ-IYSWYEEDSA-N 0 0 179.223 1.311 10 0 ADAERN CCc1nc(C)nc(Cl)n1 165266282 344260841 /nfs/dbraw/zinc/26/08/41/344260841.db2.gz JLHIASPYSLCMBG-UHFFFAOYSA-N 0 0 157.604 1.396 10 0 ADAERN CC(=O)CCc1cncc(C)c1 165261149 344260927 /nfs/dbraw/zinc/26/09/27/344260927.db2.gz ZLYFQZLJUVYVSA-UHFFFAOYSA-N 0 0 163.220 1.912 10 0 ADAERN Nc1cc(Cl)cc(-c2nnco2)c1 165341792 344262155 /nfs/dbraw/zinc/26/21/55/344262155.db2.gz YZFWQVPTNUQXKZ-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1c(Cl)cccc1OC1COC1 165344242 344262210 /nfs/dbraw/zinc/26/22/10/344262210.db2.gz UXINJOMGTQFNQK-UHFFFAOYSA-N 0 0 199.637 1.700 10 0 ADAERN Cc1cc(N)ccc1OC1COC1 165345799 344262230 /nfs/dbraw/zinc/26/22/30/344262230.db2.gz JLLJMBGQAUTTBQ-UHFFFAOYSA-N 0 0 179.219 1.355 10 0 ADAERN CON(C)C(=O)c1cc(N)cc(F)c1 165327522 344262324 /nfs/dbraw/zinc/26/23/24/344262324.db2.gz CMTWHMLMUYNFNX-UHFFFAOYSA-N 0 0 198.197 1.041 10 0 ADAERN O=c1cc(NC2CCCC2)cn[nH]1 165354722 344262588 /nfs/dbraw/zinc/26/25/88/344262588.db2.gz JNPAOULLQGHSEJ-UHFFFAOYSA-N 0 0 179.223 1.124 10 0 ADAERN Cc1cccc(N)c1OC1COC1 165351051 344262652 /nfs/dbraw/zinc/26/26/52/344262652.db2.gz VPWSRHDUYBYSLM-UHFFFAOYSA-N 0 0 179.219 1.355 10 0 ADAERN CC(C)[C@@H](C)Nc1cn[nH]c(=O)c1 165353361 344262659 /nfs/dbraw/zinc/26/26/59/344262659.db2.gz AMHSFFYGBYMDEC-SSDOTTSWSA-N 0 0 181.239 1.226 10 0 ADAERN Nc1cc(F)ccc1COC1COC1 165359951 344262664 /nfs/dbraw/zinc/26/26/64/344262664.db2.gz DFIAGDUOUWZDSA-UHFFFAOYSA-N 0 0 197.209 1.323 10 0 ADAERN C[C@@H](OC1COC1)c1cccc(N)c1 165365075 344262668 /nfs/dbraw/zinc/26/26/68/344262668.db2.gz LONDQNDIHRVXMI-MRVPVSSYSA-N 0 0 193.246 1.745 10 0 ADAERN Nc1ccccc1COC1COC1 165361595 344262684 /nfs/dbraw/zinc/26/26/84/344262684.db2.gz NBJRCSDIEWBVGX-UHFFFAOYSA-N 0 0 179.219 1.184 10 0 ADAERN CCC(CC)Nc1cn[nH]c(=O)c1 165354850 344262691 /nfs/dbraw/zinc/26/26/91/344262691.db2.gz GIFDXRUDZADYGV-UHFFFAOYSA-N 0 0 181.239 1.370 10 0 ADAERN CCC(C)(C)Nc1cc(=O)[nH]cn1 165349145 344262703 /nfs/dbraw/zinc/26/27/03/344262703.db2.gz DAVWPMNOTPSSDI-UHFFFAOYSA-N 0 0 181.239 1.370 10 0 ADAERN C[C@H](OC1COC1)c1cccc(N)c1 165364945 344262705 /nfs/dbraw/zinc/26/27/05/344262705.db2.gz LONDQNDIHRVXMI-QMMMGPOBSA-N 0 0 193.246 1.745 10 0 ADAERN CN1C(=O)C[C@H]1c1ccccc1 165365484 344262740 /nfs/dbraw/zinc/26/27/40/344262740.db2.gz ASDWIKWXDGXALE-VIFPVBQESA-N 0 0 161.204 1.590 10 0 ADAERN CC(C)[C@H](C)Nc1cn[nH]c(=O)c1 165353472 344262756 /nfs/dbraw/zinc/26/27/56/344262756.db2.gz AMHSFFYGBYMDEC-ZETCQYMHSA-N 0 0 181.239 1.226 10 0 ADAERN CCC(C)(C)Nc1ncc[nH]c1=O 165348881 344262758 /nfs/dbraw/zinc/26/27/58/344262758.db2.gz JTTSAAXDTNQZBO-UHFFFAOYSA-N 0 0 181.239 1.370 10 0 ADAERN Cc1c(N)cccc1COC1COC1 165362383 344262766 /nfs/dbraw/zinc/26/27/66/344262766.db2.gz GKHZARAWAOMTIW-UHFFFAOYSA-N 0 0 193.246 1.493 10 0 ADAERN c1cnc(-c2cncs2)nc1 165408427 344262951 /nfs/dbraw/zinc/26/29/51/344262951.db2.gz JAAWHROJHURLSG-UHFFFAOYSA-N 0 0 163.205 1.600 10 0 ADAERN CC[C@@H](C)CNc1cn[nH]c(=O)c1 165383765 344263023 /nfs/dbraw/zinc/26/30/23/344263023.db2.gz CMWMIHKRJJJCPF-SSDOTTSWSA-N 0 0 181.239 1.228 10 0 ADAERN Cc1nc(NC(C)(C)C)cc(=O)[nH]1 165408584 344263035 /nfs/dbraw/zinc/26/30/35/344263035.db2.gz OVOUOXIJFOHMEM-UHFFFAOYSA-N 0 0 181.239 1.701 10 0 ADAERN Nc1ccc(COC2COC2)c(F)c1 165382218 344263181 /nfs/dbraw/zinc/26/31/81/344263181.db2.gz NSVJBLCVNBWSAZ-UHFFFAOYSA-N 0 0 197.209 1.323 10 0 ADAERN CC(C)(C)C(C)(C)C[C@H]([NH3+])C(=O)[O-] 165421557 344263291 /nfs/dbraw/zinc/26/32/91/344263291.db2.gz ONLJTCGFWSSDIT-ZETCQYMHSA-N 0 0 187.283 1.861 10 0 ADAERN CCC(C)(C)Nc1cn[nH]c(=O)c1 165420715 344263303 /nfs/dbraw/zinc/26/33/03/344263303.db2.gz HFNOFMSRAFYFIS-UHFFFAOYSA-N 0 0 181.239 1.370 10 0 ADAERN CC(C)(C)C(C)(C)C[C@@H]([NH3+])C(=O)[O-] 165421438 344263542 /nfs/dbraw/zinc/26/35/42/344263542.db2.gz ONLJTCGFWSSDIT-SSDOTTSWSA-N 0 0 187.283 1.861 10 0 ADAERN C[C@](N)(c1cscn1)C(F)(F)F 165429809 344263734 /nfs/dbraw/zinc/26/37/34/344263734.db2.gz KHDMUPCWUWFKPG-YFKPBYRVSA-N 0 0 196.197 1.879 10 0 ADAERN C[C@@](N)(c1cscn1)C(F)(F)F 165429702 344263844 /nfs/dbraw/zinc/26/38/44/344263844.db2.gz KHDMUPCWUWFKPG-RXMQYKEDSA-N 0 0 196.197 1.879 10 0 ADAERN c1nc([C@H]2CSCCN2)cs1 165428433 344263899 /nfs/dbraw/zinc/26/38/99/344263899.db2.gz AXYJXTFZMRUESV-ZCFIWIBFSA-N 0 0 186.305 1.521 10 0 ADAERN CC(O)=C(C)C(=O)C(F)(F)F 165432733 344263935 /nfs/dbraw/zinc/26/39/35/344263935.db2.gz LVMIOLNODODDMM-GSVOUGTGSA-N 0 0 168.114 1.343 10 0 ADAERN CC(O)=C(C)C(=O)C(F)(F)F 165432621 344263966 /nfs/dbraw/zinc/26/39/66/344263966.db2.gz LVMIOLNODODDMM-VKHMYHEASA-N 0 0 168.114 1.343 10 0 ADAERN c1nc([C@@H]2CSCCN2)cs1 165428308 344264008 /nfs/dbraw/zinc/26/40/08/344264008.db2.gz AXYJXTFZMRUESV-LURJTMIESA-N 0 0 186.305 1.521 10 0 ADAERN O=C(/C=C/CO)OCc1ccccc1 165454488 344264497 /nfs/dbraw/zinc/26/44/97/344264497.db2.gz LSWOWIRQIVAQHY-QPJJXVBHSA-N 0 0 192.214 1.278 10 0 ADAERN CC[C@H]1CCN(c2cn[nH]c(=O)c2)C1 165478812 344264547 /nfs/dbraw/zinc/26/45/47/344264547.db2.gz FIWSAQNCZULWFU-QMMMGPOBSA-N 0 0 193.250 1.006 10 0 ADAERN Clc1cccc(OC2COC2)n1 165471887 344264562 /nfs/dbraw/zinc/26/45/62/344264562.db2.gz BMJKJIDHTGTMMG-UHFFFAOYSA-N 0 0 185.610 1.513 10 0 ADAERN CC[C@@H]1CCN(c2cn[nH]c(=O)c2)C1 165478692 344264572 /nfs/dbraw/zinc/26/45/72/344264572.db2.gz FIWSAQNCZULWFU-MRVPVSSYSA-N 0 0 193.250 1.006 10 0 ADAERN Clc1csc(OC2COC2)n1 165468766 344264578 /nfs/dbraw/zinc/26/45/78/344264578.db2.gz QTMZYWKCRXGJHY-UHFFFAOYSA-N 0 0 191.639 1.574 10 0 ADAERN Cc1cnc(Cl)cc1OC1COC1 165469256 344264589 /nfs/dbraw/zinc/26/45/89/344264589.db2.gz RPXUXCINOYCDRA-UHFFFAOYSA-N 0 0 199.637 1.821 10 0 ADAERN Nc1cccc(N)c1OC(F)(F)F 165486197 344264979 /nfs/dbraw/zinc/26/49/79/344264979.db2.gz NHHQYMBCXLAZFZ-UHFFFAOYSA-N 0 0 192.140 1.750 10 0 ADAERN CC1(Nc2ncc[nH]c2=O)CCC1 165492387 344265027 /nfs/dbraw/zinc/26/50/27/344265027.db2.gz COKSPNISIGUXDJ-UHFFFAOYSA-N 0 0 179.223 1.124 10 0 ADAERN CCc1cc(C)n(C)c(=O)c1 165492181 344265129 /nfs/dbraw/zinc/26/51/29/344265129.db2.gz RKDVAOQXTIJHRG-UHFFFAOYSA-N 0 0 151.209 1.256 10 0 ADAERN O=C1CCCCC[C@H](O)C1 165485366 344265204 /nfs/dbraw/zinc/26/52/04/344265204.db2.gz RHAYTIQGLVDDMM-ZETCQYMHSA-N 0 0 142.198 1.271 10 0 ADAERN CNC(=O)Nc1cccc(C=O)c1 165505308 344265431 /nfs/dbraw/zinc/26/54/31/344265431.db2.gz NVYGWTKYFROQKA-UHFFFAOYSA-N 0 0 178.191 1.250 10 0 ADAERN C[C@H](O)C(C)(F)F 165517400 344265441 /nfs/dbraw/zinc/26/54/41/344265441.db2.gz JQSJYSAELGZWIX-VKHMYHEASA-N 0 0 110.103 1.022 10 0 ADAERN C[C@H](O)[C@H]1CCC[C@@H]1C 165518628 344265533 /nfs/dbraw/zinc/26/55/33/344265533.db2.gz PWNGUKSWPILNCX-FXQIFTODSA-N 0 0 128.215 1.803 10 0 ADAERN CN1CCCC[C@H]1c1cocn1 165523539 344265576 /nfs/dbraw/zinc/26/55/76/344265576.db2.gz KIXLBSAVGPERBY-VIFPVBQESA-N 0 0 166.224 1.831 10 0 ADAERN CC(=O)c1ccc(OC2COC2)cn1 165505704 344265618 /nfs/dbraw/zinc/26/56/18/344265618.db2.gz XPLNCONPEVDOLF-UHFFFAOYSA-N 0 0 193.202 1.062 10 0 ADAERN CN1CCCC[C@@H]1c1cocn1 165523420 344265638 /nfs/dbraw/zinc/26/56/38/344265638.db2.gz KIXLBSAVGPERBY-SECBINFHSA-N 0 0 166.224 1.831 10 0 ADAERN C[C@@H](O)C(C)(F)F 165517303 344265689 /nfs/dbraw/zinc/26/56/89/344265689.db2.gz JQSJYSAELGZWIX-GSVOUGTGSA-N 0 0 110.103 1.022 10 0 ADAERN C[C@H](O)[C@@H]1CCC[C@@H]1C 165518495 344265692 /nfs/dbraw/zinc/26/56/92/344265692.db2.gz PWNGUKSWPILNCX-BIIVOSGPSA-N 0 0 128.215 1.803 10 0 ADAERN CCn1c(=O)[nH]c2ccc(F)cc21 165556466 344266059 /nfs/dbraw/zinc/26/60/59/344266059.db2.gz NKIJKPZHTOYHDZ-UHFFFAOYSA-N 0 0 180.182 1.489 10 0 ADAERN CNC(=O)c1ccc(C(C)(C)C)cn1 165570990 344266354 /nfs/dbraw/zinc/26/63/54/344266354.db2.gz QWTVXCCWXWFRPA-UHFFFAOYSA-N 0 0 192.262 1.739 10 0 ADAERN Cn1cccc1-c1cnco1 165582543 344266450 /nfs/dbraw/zinc/26/64/50/344266450.db2.gz AUWJUNNNFCQUHF-UHFFFAOYSA-N 0 0 148.165 1.680 10 0 ADAERN CCCc1noc(CCOC)n1 165617861 344266915 /nfs/dbraw/zinc/26/69/15/344266915.db2.gz OOYOUEKLYVYJGU-UHFFFAOYSA-N 0 0 170.212 1.211 10 0 ADAERN COC(=O)[C@H](CC(C)C)N1CC=CC1 165626770 344267093 /nfs/dbraw/zinc/26/70/93/344267093.db2.gz BYSVSIMAVZFANQ-JTQLQIEISA-N 0 0 197.278 1.446 10 0 ADAERN Cc1ccc(F)c2c(=O)[nH][nH]c12 165696268 344267231 /nfs/dbraw/zinc/26/72/31/344267231.db2.gz UWFKKGXYVOYYIR-UHFFFAOYSA-N 0 0 166.155 1.304 10 0 ADAERN CC1C[NH+]([C@@H]2CCC[C@]2(C)C(=O)[O-])C1 165671333 344267281 /nfs/dbraw/zinc/26/72/81/344267281.db2.gz RLFVXLQVOGWUHD-KOLCDFICSA-N 0 0 197.278 1.582 10 0 ADAERN CC1C[NH+]([C@H]2CCC[C@@]2(C)C(=O)[O-])C1 165671208 344267412 /nfs/dbraw/zinc/26/74/12/344267412.db2.gz RLFVXLQVOGWUHD-GXSJLCMTSA-N 0 0 197.278 1.582 10 0 ADAERN CCCc1noc(COCC)n1 165660942 344267530 /nfs/dbraw/zinc/26/75/30/344267530.db2.gz TZEGQAOHHSTQRR-UHFFFAOYSA-N 0 0 170.212 1.559 10 0 ADAERN CC(C)[C@@H](NN)c1ccc(F)cc1 165671923 344267531 /nfs/dbraw/zinc/26/75/31/344267531.db2.gz UGGXBJNPXWGJQE-SNVBAGLBSA-N 0 0 182.242 1.986 10 0 ADAERN CC1C[NH+]([C@H]2CCC[C@]2(C)C(=O)[O-])C1 165671470 344267558 /nfs/dbraw/zinc/26/75/58/344267558.db2.gz RLFVXLQVOGWUHD-ONGXEEELSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)[C@H](NN)c1ccc(F)cc1 165671787 344267564 /nfs/dbraw/zinc/26/75/64/344267564.db2.gz UGGXBJNPXWGJQE-JTQLQIEISA-N 0 0 182.242 1.986 10 0 ADAERN CC1C[NH+]([C@@H]2CCC[C@@]2(C)C(=O)[O-])C1 165671084 344267588 /nfs/dbraw/zinc/26/75/88/344267588.db2.gz RLFVXLQVOGWUHD-MWLCHTKSSA-N 0 0 197.278 1.582 10 0 ADAERN CC(=O)[C@@H]1c2ccccc2CCN1C 165705912 344267807 /nfs/dbraw/zinc/26/78/07/344267807.db2.gz HVUGCBVRMWVICW-GFCCVEGCSA-N 0 0 189.258 1.805 10 0 ADAERN CCc1nc(N[C@@H](C)CC)cc(=O)[nH]1 165700301 344267891 /nfs/dbraw/zinc/26/78/91/344267891.db2.gz LWZOMYCIQNGNKR-ZETCQYMHSA-N 0 0 195.266 1.543 10 0 ADAERN CCc1nc(N[C@H](C)CC)cc(=O)[nH]1 165700440 344267924 /nfs/dbraw/zinc/26/79/24/344267924.db2.gz LWZOMYCIQNGNKR-SSDOTTSWSA-N 0 0 195.266 1.543 10 0 ADAERN Cc1ccc(-n2ccccc2=O)nc1 165708318 344267954 /nfs/dbraw/zinc/26/79/54/344267954.db2.gz QEEIRHRVYQOUSP-UHFFFAOYSA-N 0 0 186.214 1.541 10 0 ADAERN CCc1nc(NC(C)C)cc(=O)[nH]1 165698052 344268013 /nfs/dbraw/zinc/26/80/13/344268013.db2.gz LMTPDEZYFUIVFW-UHFFFAOYSA-N 0 0 181.239 1.153 10 0 ADAERN CCNc1cccc2n[nH]nc12 165736720 344268241 /nfs/dbraw/zinc/26/82/41/344268241.db2.gz QAQDNWXCMMPXGH-UHFFFAOYSA-N 0 0 162.196 1.390 10 0 ADAERN CSc1cccc(F)c1C(N)=O 165735001 344268335 /nfs/dbraw/zinc/26/83/35/344268335.db2.gz DNPXVNKGHDVRCU-UHFFFAOYSA-N 0 0 185.223 1.647 10 0 ADAERN CCC(=O)[C@H]1OCC[C@@H]1C 167728227 344313022 /nfs/dbraw/zinc/31/30/22/344313022.db2.gz ATCVRPHAIANDDT-XPUUQOCRSA-N 0 0 142.198 1.391 10 0 ADAERN O=C1CCO[C@@H](C(F)(F)F)C1 165775912 344269130 /nfs/dbraw/zinc/26/91/30/344269130.db2.gz OQLYSQBILYSDQN-RXMQYKEDSA-N 0 0 168.114 1.297 10 0 ADAERN C[C@@H]1NC(=O)N(C(C)(C)C)C(=O)[C@H]1C 165779514 344269185 /nfs/dbraw/zinc/26/91/85/344269185.db2.gz ZFQXJEYNXNMYRG-BQBZGAKWSA-N 0 0 198.266 1.361 10 0 ADAERN CCCCN1C(=O)N[C@@H](C)[C@@H](C)C1=O 165777376 344269212 /nfs/dbraw/zinc/26/92/12/344269212.db2.gz FDIQUEHNHSLPJK-SFYZADRCSA-N 0 0 198.266 1.363 10 0 ADAERN O=C1CCO[C@H](C(F)(F)F)C1 165775787 344269233 /nfs/dbraw/zinc/26/92/33/344269233.db2.gz OQLYSQBILYSDQN-YFKPBYRVSA-N 0 0 168.114 1.297 10 0 ADAERN C[C@@H]1C(=O)N(C(C)(C)C)C(=O)N[C@@H]1C 165779760 344269259 /nfs/dbraw/zinc/26/92/59/344269259.db2.gz ZFQXJEYNXNMYRG-NKWVEPMBSA-N 0 0 198.266 1.361 10 0 ADAERN C[C@H]1NC(=O)N(C(C)(C)C)C(=O)[C@@H]1C 165779641 344269261 /nfs/dbraw/zinc/26/92/61/344269261.db2.gz ZFQXJEYNXNMYRG-RNFRBKRXSA-N 0 0 198.266 1.361 10 0 ADAERN COC(=O)Cc1csc(C)c1 165787732 344269266 /nfs/dbraw/zinc/26/92/66/344269266.db2.gz OEJWJNSMGHEUKD-UHFFFAOYSA-N 0 0 170.233 1.772 10 0 ADAERN CCCCN1C(=O)N[C@H](C)[C@@H](C)C1=O 165777620 344269268 /nfs/dbraw/zinc/26/92/68/344269268.db2.gz FDIQUEHNHSLPJK-HTQZYQBOSA-N 0 0 198.266 1.363 10 0 ADAERN CCCCN1C(=O)N[C@@H](C)[C@H](C)C1=O 165777503 344269318 /nfs/dbraw/zinc/26/93/18/344269318.db2.gz FDIQUEHNHSLPJK-YUMQZZPRSA-N 0 0 198.266 1.363 10 0 ADAERN CCCCN1C(=O)N[C@H](C)[C@H](C)C1=O 165777767 344269337 /nfs/dbraw/zinc/26/93/37/344269337.db2.gz FDIQUEHNHSLPJK-JGVFFNPUSA-N 0 0 198.266 1.363 10 0 ADAERN CCCNc1csnn1 165784793 344269342 /nfs/dbraw/zinc/26/93/42/344269342.db2.gz GLYQTLATMLDYIM-UHFFFAOYSA-N 0 0 143.215 1.360 10 0 ADAERN C[C@@H]1NC(=O)N(C(C)(C)C)C(=O)[C@@H]1C 165779408 344269417 /nfs/dbraw/zinc/26/94/17/344269417.db2.gz ZFQXJEYNXNMYRG-RQJHMYQMSA-N 0 0 198.266 1.361 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[NH+]1CC2(CC2)C1 165789407 344269705 /nfs/dbraw/zinc/26/97/05/344269705.db2.gz BRGSTMYBMONZAX-JGVFFNPUSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[NH+]1CC2(CC2)C1 165789653 344269717 /nfs/dbraw/zinc/26/97/17/344269717.db2.gz BRGSTMYBMONZAX-YUMQZZPRSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[NH+]1CC2(CC2)C1 165789758 344269778 /nfs/dbraw/zinc/26/97/78/344269778.db2.gz BRGSTMYBMONZAX-SFYZADRCSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[NH+]1CC2(CC2)C1 165789541 344269955 /nfs/dbraw/zinc/26/99/55/344269955.db2.gz BRGSTMYBMONZAX-HTQZYQBOSA-N 0 0 183.251 1.191 10 0 ADAERN CCc1nc(N[C@@H]2C[C@H]2C)cc(=O)[nH]1 165800938 344270125 /nfs/dbraw/zinc/27/01/25/344270125.db2.gz PJZYCVBNPUOAJC-RNFRBKRXSA-N 0 0 193.250 1.153 10 0 ADAERN CCc1nc(N[C@H]2C[C@@H]2C)cc(=O)[nH]1 165800817 344270146 /nfs/dbraw/zinc/27/01/46/344270146.db2.gz PJZYCVBNPUOAJC-BQBZGAKWSA-N 0 0 193.250 1.153 10 0 ADAERN CCNc1cncc(OC2COC2)c1 165805026 344270263 /nfs/dbraw/zinc/27/02/63/344270263.db2.gz JVLKCUJAPSLHSU-UHFFFAOYSA-N 0 0 194.234 1.291 10 0 ADAERN CCc1nc(N[C@H]2C[C@H]2C)cc(=O)[nH]1 165801063 344270320 /nfs/dbraw/zinc/27/03/20/344270320.db2.gz PJZYCVBNPUOAJC-RQJHMYQMSA-N 0 0 193.250 1.153 10 0 ADAERN CCc1nc(N[C@@H]2C[C@@H]2C)cc(=O)[nH]1 165800682 344270388 /nfs/dbraw/zinc/27/03/88/344270388.db2.gz PJZYCVBNPUOAJC-NKWVEPMBSA-N 0 0 193.250 1.153 10 0 ADAERN Cn1nc(CC2CCC2)cc1N 165825916 344270668 /nfs/dbraw/zinc/27/06/68/344270668.db2.gz RJEFSCXXJQYNEJ-UHFFFAOYSA-N 0 0 165.240 1.345 10 0 ADAERN NN[C@@H](c1cccs1)[C@@H]1CCOC1 165819076 344270688 /nfs/dbraw/zinc/27/06/88/344270688.db2.gz ZUPRMJOTDPIMOK-VXNVDRBHSA-N 0 0 198.291 1.289 10 0 ADAERN NC(=S)Nc1ccc2c(c1)CCO2 165823557 344270694 /nfs/dbraw/zinc/27/06/94/344270694.db2.gz VQHIEPJDIAQUAQ-UHFFFAOYSA-N 0 0 194.259 1.277 10 0 ADAERN NN[C@H](c1cccs1)[C@@H]1CCOC1 165819200 344270731 /nfs/dbraw/zinc/27/07/31/344270731.db2.gz ZUPRMJOTDPIMOK-APPZFPTMSA-N 0 0 198.291 1.289 10 0 ADAERN Cc1nn(C)c2c1NC[C@H](C)[C@@H](C)N2 165833615 344270735 /nfs/dbraw/zinc/27/07/35/344270735.db2.gz WGMYHVQTNDOWQI-NKWVEPMBSA-N 0 0 194.282 1.591 10 0 ADAERN Cc1nn(C)c2c1NC[C@@H](C)[C@@H](C)N2 165833360 344270767 /nfs/dbraw/zinc/27/07/67/344270767.db2.gz WGMYHVQTNDOWQI-RNFRBKRXSA-N 0 0 194.282 1.591 10 0 ADAERN COC(=O)c1c(N)ccc(OC)c1C 165816768 344270787 /nfs/dbraw/zinc/27/07/87/344270787.db2.gz IABQFSMOBJFXGJ-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN CCOC(=O)c1coc(OCC)n1 165819105 344270796 /nfs/dbraw/zinc/27/07/96/344270796.db2.gz ADJZDQXCSHHGQN-UHFFFAOYSA-N 0 0 185.179 1.250 10 0 ADAERN NN[C@H](c1cccs1)[C@H]1CCOC1 165819456 344270807 /nfs/dbraw/zinc/27/08/07/344270807.db2.gz ZUPRMJOTDPIMOK-CBAPKCEASA-N 0 0 198.291 1.289 10 0 ADAERN Cc1nn(C)c2c1NC[C@H](C)[C@H](C)N2 165833730 344270813 /nfs/dbraw/zinc/27/08/13/344270813.db2.gz WGMYHVQTNDOWQI-BQBZGAKWSA-N 0 0 194.282 1.591 10 0 ADAERN OCc1nc([C@@H]2CCCC[NH2+]2)cs1 165849778 344271103 /nfs/dbraw/zinc/27/11/03/344271103.db2.gz WZTNTGSGEGWMSX-ZETCQYMHSA-N 0 0 198.291 1.450 10 0 ADAERN C[C@@H]1NC(=O)O[C@@H]1c1nccs1 165839250 344271171 /nfs/dbraw/zinc/27/11/71/344271171.db2.gz WUAJASLMYHDBPM-WHFBIAKZSA-N 0 0 184.220 1.313 10 0 ADAERN OCc1nc([C@H]2CCC[NH2+]2)cs1 165849641 344271181 /nfs/dbraw/zinc/27/11/81/344271181.db2.gz YMQXZLGZAFZTJU-ZCFIWIBFSA-N 0 0 184.264 1.060 10 0 ADAERN C[C@@H]1NC(=O)C[C@@H]1C(C)(C)C 165849017 344271188 /nfs/dbraw/zinc/27/11/88/344271188.db2.gz WNEASMNLXVQGSZ-BQBZGAKWSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@H]1NC(=O)C[C@@H]1C(C)(C)C 165848897 344271216 /nfs/dbraw/zinc/27/12/16/344271216.db2.gz WNEASMNLXVQGSZ-RQJHMYQMSA-N 0 0 155.241 1.557 10 0 ADAERN CC[C@H]1NC(=O)C[C@H]1C(C)(C)C 165849391 344271235 /nfs/dbraw/zinc/27/12/35/344271235.db2.gz REJCGPQKCXVYOU-HTQZYQBOSA-N 0 0 169.268 1.947 10 0 ADAERN CC[C@H]1NC(=O)C[C@@H]1C(C)(C)C 165849656 344271237 /nfs/dbraw/zinc/27/12/37/344271237.db2.gz REJCGPQKCXVYOU-JGVFFNPUSA-N 0 0 169.268 1.947 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)NC1(C)C 165849155 344271246 /nfs/dbraw/zinc/27/12/46/344271246.db2.gz AOGYRQSXIDOXPL-ZETCQYMHSA-N 0 0 169.268 1.947 10 0 ADAERN c1ncc2nc(CC3CC3)[nH]c2n1 165876635 344271440 /nfs/dbraw/zinc/27/14/40/344271440.db2.gz WJHOIUZPZJNCSU-UHFFFAOYSA-N 0 0 174.207 1.305 10 0 ADAERN C[C@H]1C[C@@H]1c1nc2cncnc2[nH]1 165872807 344271455 /nfs/dbraw/zinc/27/14/55/344271455.db2.gz DQZOIEZUSNWTPH-WDSKDSINSA-N 0 0 174.207 1.476 10 0 ADAERN NN[C@H](c1ccoc1)c1cccs1 165873024 344271518 /nfs/dbraw/zinc/27/15/18/344271518.db2.gz MYRZMLMACFCZOU-SECBINFHSA-N 0 0 194.259 1.894 10 0 ADAERN Cc1nc2[nH]ccc2s1 165870050 344271520 /nfs/dbraw/zinc/27/15/20/344271520.db2.gz ATROTOREUWDBSW-UHFFFAOYSA-N 0 0 138.195 1.933 10 0 ADAERN CCCc1nc2cncnc2[nH]1 165866199 344271534 /nfs/dbraw/zinc/27/15/34/344271534.db2.gz VVZZWQCGUMRDHB-UHFFFAOYSA-N 0 0 162.196 1.305 10 0 ADAERN C[C@@H]1C[C@H]1c1nc2cncnc2[nH]1 165872943 344271564 /nfs/dbraw/zinc/27/15/64/344271564.db2.gz DQZOIEZUSNWTPH-PHDIDXHHSA-N 0 0 174.207 1.476 10 0 ADAERN CSCCc1nc2cncnc2[nH]1 165877426 344271575 /nfs/dbraw/zinc/27/15/75/344271575.db2.gz QDFDPOKZVXOBOM-UHFFFAOYSA-N 0 0 194.263 1.258 10 0 ADAERN CSCc1nc2cncnc2[nH]1 165870064 344271579 /nfs/dbraw/zinc/27/15/79/344271579.db2.gz YYANDYLRQLQGHK-UHFFFAOYSA-N 0 0 180.236 1.216 10 0 ADAERN CSc1nc(N)nc2sccc12 165855890 344271616 /nfs/dbraw/zinc/27/16/16/344271616.db2.gz YUKVGOAUVQUFJS-UHFFFAOYSA-N 0 0 197.288 1.995 10 0 ADAERN NN[C@@H](c1ccoc1)c1cccs1 165873157 344271651 /nfs/dbraw/zinc/27/16/51/344271651.db2.gz MYRZMLMACFCZOU-VIFPVBQESA-N 0 0 194.259 1.894 10 0 ADAERN CC[C@H](C)c1nc2cncnc2[nH]1 165875712 344271654 /nfs/dbraw/zinc/27/16/54/344271654.db2.gz HMHOUBUIOUZRIA-LURJTMIESA-N 0 0 176.223 1.866 10 0 ADAERN C[C@H]1C[C@H]1c1nc2cncnc2[nH]1 165873069 344271673 /nfs/dbraw/zinc/27/16/73/344271673.db2.gz DQZOIEZUSNWTPH-NTSWFWBYSA-N 0 0 174.207 1.476 10 0 ADAERN CC[C@H]1CCN(c2ncncc2N)C1 165884092 344271901 /nfs/dbraw/zinc/27/19/01/344271901.db2.gz BCQUJIAIZNVZOU-QMMMGPOBSA-N 0 0 192.266 1.295 10 0 ADAERN CO[C@@H](C)c1nc2cncnc2[nH]1 165883428 344271944 /nfs/dbraw/zinc/27/19/44/344271944.db2.gz ZURLSYBSLUSQIF-YFKPBYRVSA-N 0 0 178.195 1.060 10 0 ADAERN Cc1nn(C)c2ncc(N)c(Cl)c12 165887016 344271965 /nfs/dbraw/zinc/27/19/65/344271965.db2.gz BBOXSTWQDINFAW-UHFFFAOYSA-N 0 0 196.641 1.512 10 0 ADAERN CC[C@H]1CCN(c2ncc(N)cn2)C1 165885483 344271988 /nfs/dbraw/zinc/27/19/88/344271988.db2.gz FYUJSEPMEPVESH-QMMMGPOBSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@@H]1CCN(c2ncncc2N)C1 165883976 344272012 /nfs/dbraw/zinc/27/20/12/344272012.db2.gz BCQUJIAIZNVZOU-MRVPVSSYSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@H]1CCN(c2ccc(N)nc2)C1 165887367 344272035 /nfs/dbraw/zinc/27/20/35/344272035.db2.gz KLTATDYGKHIYAS-VIFPVBQESA-N 0 0 191.278 1.900 10 0 ADAERN CC[C@@H]1CCN(c2ncc(N)cn2)C1 165885361 344272072 /nfs/dbraw/zinc/27/20/72/344272072.db2.gz FYUJSEPMEPVESH-MRVPVSSYSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@@H]1CCN(c2ccc(N)nc2)C1 165887250 344272087 /nfs/dbraw/zinc/27/20/87/344272087.db2.gz KLTATDYGKHIYAS-SECBINFHSA-N 0 0 191.278 1.900 10 0 ADAERN CC(C)OCc1nc2cncnc2[nH]1 165883291 344272090 /nfs/dbraw/zinc/27/20/90/344272090.db2.gz UDTKLDBQCFFXSJ-UHFFFAOYSA-N 0 0 192.222 1.278 10 0 ADAERN CO[C@H](C)c1nc2cncnc2[nH]1 165883556 344272115 /nfs/dbraw/zinc/27/21/15/344272115.db2.gz ZURLSYBSLUSQIF-RXMQYKEDSA-N 0 0 178.195 1.060 10 0 ADAERN CC(C)C(=O)O[C@@H]1CCCOC1 165908183 344272441 /nfs/dbraw/zinc/27/24/41/344272441.db2.gz TUIRSCFSBXNIPL-MRVPVSSYSA-N 0 0 172.224 1.365 10 0 ADAERN CCOc1ccc2nnc(Cl)n2n1 165904242 344272469 /nfs/dbraw/zinc/27/24/69/344272469.db2.gz QRGFGUKSXFUPHC-UHFFFAOYSA-N 0 0 198.613 1.176 10 0 ADAERN CC(C)C(=O)O[C@H]1CCCOC1 165908306 344272498 /nfs/dbraw/zinc/27/24/98/344272498.db2.gz TUIRSCFSBXNIPL-QMMMGPOBSA-N 0 0 172.224 1.365 10 0 ADAERN CCC1(Nc2cc(=O)[nH]cn2)CCC1 165943436 344272678 /nfs/dbraw/zinc/27/26/78/344272678.db2.gz UVUWJJKIQAQJKR-UHFFFAOYSA-N 0 0 193.250 1.515 10 0 ADAERN CCOC(=O)[C@@H]1CCN=C1OCC 165943284 344272697 /nfs/dbraw/zinc/27/26/97/344272697.db2.gz KLCANTNCZOLKLM-SSDOTTSWSA-N 0 0 185.223 1.004 10 0 ADAERN COCc1cc(C)ccc1N 165959125 344272701 /nfs/dbraw/zinc/27/27/01/344272701.db2.gz QOGIXFVEHQYUMK-UHFFFAOYSA-N 0 0 151.209 1.724 10 0 ADAERN C[C@@H]1CCCN(c2nc(CO)co2)C1 165950353 344272710 /nfs/dbraw/zinc/27/27/10/344272710.db2.gz OXXCCDOFWFRZNJ-MRVPVSSYSA-N 0 0 196.250 1.403 10 0 ADAERN OCc1coc(N2CCCCCC2)n1 165950663 344272739 /nfs/dbraw/zinc/27/27/39/344272739.db2.gz XWGNLGSWWHTESP-UHFFFAOYSA-N 0 0 196.250 1.547 10 0 ADAERN C[C@@H]1CCN(c2nc(CO)co2)C1 165962777 344272741 /nfs/dbraw/zinc/27/27/41/344272741.db2.gz ZFFJFIGFNOBZAZ-SSDOTTSWSA-N 0 0 182.223 1.013 10 0 ADAERN C[C@@H]1CCCN1c1nc(CO)co1 165948087 344272744 /nfs/dbraw/zinc/27/27/44/344272744.db2.gz CWHMPZVMAYUMJG-SSDOTTSWSA-N 0 0 182.223 1.156 10 0 ADAERN CN(c1nc(CO)co1)C1CCCC1 165954740 344272771 /nfs/dbraw/zinc/27/27/71/344272771.db2.gz KRZFAGVWGBJVQS-UHFFFAOYSA-N 0 0 196.250 1.546 10 0 ADAERN Cn1ccnc1C[C@@]1(O)C=CCCC1 165943476 344272832 /nfs/dbraw/zinc/27/28/32/344272832.db2.gz UOWMSJXWYMBTIZ-LLVKDONJSA-N 0 0 192.262 1.434 10 0 ADAERN CCOC(=O)[C@H]1CCN=C1OCC 165943399 344272900 /nfs/dbraw/zinc/27/29/00/344272900.db2.gz KLCANTNCZOLKLM-ZETCQYMHSA-N 0 0 185.223 1.004 10 0 ADAERN CC1CCN(c2nc(CO)co2)CC1 165949016 344272913 /nfs/dbraw/zinc/27/29/13/344272913.db2.gz NCIUJKUFIWWBIU-UHFFFAOYSA-N 0 0 196.250 1.403 10 0 ADAERN C[C@H]1CCCN1c1nc(CO)co1 165948214 344272938 /nfs/dbraw/zinc/27/29/38/344272938.db2.gz CWHMPZVMAYUMJG-ZETCQYMHSA-N 0 0 182.223 1.156 10 0 ADAERN C[C@H]1CCCN(c2nc(CO)co2)C1 165950468 344272942 /nfs/dbraw/zinc/27/29/42/344272942.db2.gz OXXCCDOFWFRZNJ-QMMMGPOBSA-N 0 0 196.250 1.403 10 0 ADAERN CC[C@H]1CCCN1c1nc(CO)co1 165947923 344272976 /nfs/dbraw/zinc/27/29/76/344272976.db2.gz JQBDVRRCPIQKRT-VIFPVBQESA-N 0 0 196.250 1.546 10 0 ADAERN C[C@H]1CCN(c2nc(CO)co2)C1 165962908 344272985 /nfs/dbraw/zinc/27/29/85/344272985.db2.gz ZFFJFIGFNOBZAZ-ZETCQYMHSA-N 0 0 182.223 1.013 10 0 ADAERN OCc1coc(OC2CCCCC2)n1 166006050 344273134 /nfs/dbraw/zinc/27/31/34/344273134.db2.gz IMVHBVFGPFFVNC-UHFFFAOYSA-N 0 0 197.234 1.878 10 0 ADAERN CNc1ccc(-n2cnnc2)cc1 165997578 344273182 /nfs/dbraw/zinc/27/31/82/344273182.db2.gz YRCIXLJZKOJCHX-UHFFFAOYSA-N 0 0 174.207 1.309 10 0 ADAERN OCc1coc(-n2cc(Cl)cn2)n1 165997428 344273223 /nfs/dbraw/zinc/27/32/23/344273223.db2.gz BPZJIUDGYBDVIJ-UHFFFAOYSA-N 0 0 199.597 1.006 10 0 ADAERN OCc1coc(OC2CCCC2)n1 166006182 344273236 /nfs/dbraw/zinc/27/32/36/344273236.db2.gz ALXOEWSCDRONGK-UHFFFAOYSA-N 0 0 183.207 1.488 10 0 ADAERN CCC(=O)c1cccc(N)n1 165977973 344273383 /nfs/dbraw/zinc/27/33/83/344273383.db2.gz YRDOALWARCCLKA-UHFFFAOYSA-N 0 0 150.181 1.257 10 0 ADAERN CC(C)(C)[C@@H]1CCN(C(N)=S)C1 166029165 344273586 /nfs/dbraw/zinc/27/35/86/344273586.db2.gz YALCVJHTNDIIPJ-SSDOTTSWSA-N 0 0 186.324 1.598 10 0 ADAERN CC(C)[C@H]1CCN(C(N)=S)C1 166029541 344273593 /nfs/dbraw/zinc/27/35/93/344273593.db2.gz KVKBDFJSVVWCNB-ZETCQYMHSA-N 0 0 172.297 1.208 10 0 ADAERN CCC[C@H]1CCN(C(N)=S)C1 166030057 344273633 /nfs/dbraw/zinc/27/36/33/344273633.db2.gz HUQDTIAXQYKJTQ-ZETCQYMHSA-N 0 0 172.297 1.352 10 0 ADAERN CCC[C@@H]1CCN(C(N)=S)C1 166029932 344273642 /nfs/dbraw/zinc/27/36/42/344273642.db2.gz HUQDTIAXQYKJTQ-SSDOTTSWSA-N 0 0 172.297 1.352 10 0 ADAERN CC(C)(C)Oc1nc(CO)co1 166010627 344273753 /nfs/dbraw/zinc/27/37/53/344273753.db2.gz IYVBALGWPXETEC-UHFFFAOYSA-N 0 0 171.196 1.344 10 0 ADAERN OCc1coc(OC2CCC2)n1 166016093 344273767 /nfs/dbraw/zinc/27/37/67/344273767.db2.gz DJNCLYHRWZNIIE-UHFFFAOYSA-N 0 0 169.180 1.098 10 0 ADAERN C[C@H]1CCCN(C#N)CC1 168206418 344324971 /nfs/dbraw/zinc/32/49/71/344324971.db2.gz NYEYWNMSSCSJAX-QMMMGPOBSA-N 0 0 138.214 1.589 10 0 ADAERN Cc1cc(O[C@H](C)C(N)=O)ccc1F 166085985 344274369 /nfs/dbraw/zinc/27/43/69/344274369.db2.gz VGGHWDQPVGUNHG-SSDOTTSWSA-N 0 0 197.209 1.387 10 0 ADAERN CCc1csc2[nH]cnc(=O)c12 166071367 344274379 /nfs/dbraw/zinc/27/43/79/344274379.db2.gz GFTURONMWMYIGB-UHFFFAOYSA-N 0 0 180.232 1.547 10 0 ADAERN Cc1cc(O[C@@H](C)C(N)=O)ccc1F 166085859 344274394 /nfs/dbraw/zinc/27/43/94/344274394.db2.gz VGGHWDQPVGUNHG-ZETCQYMHSA-N 0 0 197.209 1.387 10 0 ADAERN Cc1cc(F)ccc1O[C@H](C)C(N)=O 166104522 344274658 /nfs/dbraw/zinc/27/46/58/344274658.db2.gz MYQQSIFJQAJMFB-SSDOTTSWSA-N 0 0 197.209 1.387 10 0 ADAERN Cc1cc(F)ccc1O[C@@H](C)C(N)=O 166104394 344274763 /nfs/dbraw/zinc/27/47/63/344274763.db2.gz MYQQSIFJQAJMFB-ZETCQYMHSA-N 0 0 197.209 1.387 10 0 ADAERN Cc1nnc(-c2ccc(F)cc2N)o1 166130032 344275284 /nfs/dbraw/zinc/27/52/84/344275284.db2.gz WABYISFDIDNEHB-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CC1(C)CCCN1c1nc(C[NH3+])co1 166156787 344275337 /nfs/dbraw/zinc/27/53/37/344275337.db2.gz NQLWXOZMDZSSSM-UHFFFAOYSA-N 0 0 195.266 1.512 10 0 ADAERN Cn1nccc1NCc1ccoc1 166124823 344275444 /nfs/dbraw/zinc/27/54/44/344275444.db2.gz BKRUPQQZOXYOEY-UHFFFAOYSA-N 0 0 177.207 1.625 10 0 ADAERN CC(C)[C@@H]1CCN(C#N)C1 166189483 344275762 /nfs/dbraw/zinc/27/57/62/344275762.db2.gz CWWDFFWXYGCNRR-MRVPVSSYSA-N 0 0 138.214 1.445 10 0 ADAERN CC(C)(C)[C@H](NN)c1ccccn1 166179618 344275802 /nfs/dbraw/zinc/27/58/02/344275802.db2.gz UADWGQLXVNUWTI-SECBINFHSA-N 0 0 179.267 1.632 10 0 ADAERN CCC[C@H]1CCN(C#N)C1 166191057 344275829 /nfs/dbraw/zinc/27/58/29/344275829.db2.gz GNCPGRQMPWRZAT-QMMMGPOBSA-N 0 0 138.214 1.589 10 0 ADAERN CC(C)[C@H]1CCN(C#N)C1 166189617 344275872 /nfs/dbraw/zinc/27/58/72/344275872.db2.gz CWWDFFWXYGCNRR-QMMMGPOBSA-N 0 0 138.214 1.445 10 0 ADAERN OCc1ccccc1N1CC=CCC1 166191520 344275885 /nfs/dbraw/zinc/27/58/85/344275885.db2.gz RNTJINXPQSUFMI-UHFFFAOYSA-N 0 0 189.258 1.945 10 0 ADAERN CC1(C)CC[C@@H](CC(N)=S)O1 166166397 344275932 /nfs/dbraw/zinc/27/59/32/344275932.db2.gz AXBUEQIWWGMGFH-LURJTMIESA-N 0 0 173.281 1.620 10 0 ADAERN CCc1cccc(CC(=O)OC)c1 166166109 344275935 /nfs/dbraw/zinc/27/59/35/344275935.db2.gz DLXJTROQBBSRJK-UHFFFAOYSA-N 0 0 178.231 1.965 10 0 ADAERN NN[C@H](c1ccoc1)c1ccccn1 166181107 344275949 /nfs/dbraw/zinc/27/59/49/344275949.db2.gz ZKTGWSZTHIGELN-SNVBAGLBSA-N 0 0 189.218 1.227 10 0 ADAERN CC(C)(C)[C@@H](NN)c1ccccn1 166179757 344275972 /nfs/dbraw/zinc/27/59/72/344275972.db2.gz UADWGQLXVNUWTI-VIFPVBQESA-N 0 0 179.267 1.632 10 0 ADAERN CC(C)OC(=O)c1cc(N)cc(F)c1 166165283 344275992 /nfs/dbraw/zinc/27/59/92/344275992.db2.gz JVWBNXWYNGYESD-UHFFFAOYSA-N 0 0 197.209 1.973 10 0 ADAERN OCc1ccc(N2CC=CCC2)cc1 166191384 344275999 /nfs/dbraw/zinc/27/59/99/344275999.db2.gz OHNAVQJZAUBYPL-UHFFFAOYSA-N 0 0 189.258 1.945 10 0 ADAERN NN[C@@H](c1ccoc1)c1ccccn1 166181225 344276000 /nfs/dbraw/zinc/27/60/00/344276000.db2.gz ZKTGWSZTHIGELN-JTQLQIEISA-N 0 0 189.218 1.227 10 0 ADAERN Cc1nc(Cl)cc(=O)n1C(C)C 166213183 344276325 /nfs/dbraw/zinc/27/63/25/344276325.db2.gz QHYWDRUGBHDJSY-UHFFFAOYSA-N 0 0 186.642 1.786 10 0 ADAERN Cc1nc(Cl)cc(=O)n1CC1CC1 166208084 344276385 /nfs/dbraw/zinc/27/63/85/344276385.db2.gz JQLSJESFQPJADL-UHFFFAOYSA-N 0 0 198.653 1.615 10 0 ADAERN Cc1nc(Cl)cc(=O)n1CCF 166216796 344276487 /nfs/dbraw/zinc/27/64/87/344276487.db2.gz XTLMKQMOKJVNPR-UHFFFAOYSA-N 0 0 190.605 1.175 10 0 ADAERN C/C=C/Cn1c(C)nc(Cl)cc1=O 166204622 344276558 /nfs/dbraw/zinc/27/65/58/344276558.db2.gz MASAEXUUFQENGW-ONEGZZNKSA-N 0 0 198.653 1.781 10 0 ADAERN Cc1nc(Cl)cc(=O)n1C(F)F 166209390 344276584 /nfs/dbraw/zinc/27/65/84/344276584.db2.gz YMPJLCBUWQLTFC-UHFFFAOYSA-N 0 0 194.568 1.600 10 0 ADAERN CC(C)(C)[C@@H](NN)c1cccnc1 166245756 344276719 /nfs/dbraw/zinc/27/67/19/344276719.db2.gz DZYMWOUVUHKRNK-VIFPVBQESA-N 0 0 179.267 1.632 10 0 ADAERN CCCn1c(C)nc(Cl)cc1=O 166221453 344276731 /nfs/dbraw/zinc/27/67/31/344276731.db2.gz KWAJMFVQMWCYRI-UHFFFAOYSA-N 0 0 186.642 1.615 10 0 ADAERN CC[C@@H](C)n1cnc(Cl)cc1=O 166241556 344276774 /nfs/dbraw/zinc/27/67/74/344276774.db2.gz YDDNOXORQMEYFZ-ZCFIWIBFSA-N 0 0 186.642 1.868 10 0 ADAERN CC[C@H](C)n1cnc(Cl)cc1=O 166241671 344276817 /nfs/dbraw/zinc/27/68/17/344276817.db2.gz YDDNOXORQMEYFZ-LURJTMIESA-N 0 0 186.642 1.868 10 0 ADAERN CC(C)=CCn1cnc(Cl)cc1=O 166226921 344276867 /nfs/dbraw/zinc/27/68/67/344276867.db2.gz XSJAUVRXXVNYKY-UHFFFAOYSA-N 0 0 198.653 1.863 10 0 ADAERN O=c1cc(Cl)ncn1CC1CC1 166237139 344276869 /nfs/dbraw/zinc/27/68/69/344276869.db2.gz ODMPOUGPEOKVBQ-UHFFFAOYSA-N 0 0 184.626 1.307 10 0 ADAERN CC(C)[C@@H](NN)c1cccnc1 166219842 344276894 /nfs/dbraw/zinc/27/68/94/344276894.db2.gz DVCHQXGGXAJGSZ-SECBINFHSA-N 0 0 165.240 1.242 10 0 ADAERN CCCCn1cnc(Cl)cc1=O 166245593 344276944 /nfs/dbraw/zinc/27/69/44/344276944.db2.gz RGLQQTNHRNKDRS-UHFFFAOYSA-N 0 0 186.642 1.697 10 0 ADAERN NN[C@@H](c1cccnc1)c1ccoc1 166247043 344276957 /nfs/dbraw/zinc/27/69/57/344276957.db2.gz NVRVEURUJRHUQH-JTQLQIEISA-N 0 0 189.218 1.227 10 0 ADAERN O=c1cc(Cl)ncn1CC(F)F 166242443 344277008 /nfs/dbraw/zinc/27/70/08/344277008.db2.gz KMSYWUDLRFOUFI-UHFFFAOYSA-N 0 0 194.568 1.162 10 0 ADAERN O=c1cc(Cl)ncn1C(F)F 166239691 344277023 /nfs/dbraw/zinc/27/70/23/344277023.db2.gz IVTVNSBRWSSOJH-UHFFFAOYSA-N 0 0 180.541 1.292 10 0 ADAERN CC(C)(C)[C@H](NN)c1cccnc1 166245650 344277044 /nfs/dbraw/zinc/27/70/44/344277044.db2.gz DZYMWOUVUHKRNK-SECBINFHSA-N 0 0 179.267 1.632 10 0 ADAERN CC(C)n1cnc(Cl)cc1=O 166245471 344277055 /nfs/dbraw/zinc/27/70/55/344277055.db2.gz ODDOEUNZLGNSRC-UHFFFAOYSA-N 0 0 172.615 1.478 10 0 ADAERN C/C=C/Cn1cnc(Cl)cc1=O 166232119 344277060 /nfs/dbraw/zinc/27/70/60/344277060.db2.gz SKBSKXANUVVIAF-NSCUHMNNSA-N 0 0 184.626 1.473 10 0 ADAERN CC(C)[C@H](NN)c1cccnc1 166219733 344277066 /nfs/dbraw/zinc/27/70/66/344277066.db2.gz DVCHQXGGXAJGSZ-VIFPVBQESA-N 0 0 165.240 1.242 10 0 ADAERN NN[C@H](c1cccnc1)C1CCC1 166247422 344277200 /nfs/dbraw/zinc/27/72/00/344277200.db2.gz JIJIXAARTFAMAM-JTQLQIEISA-N 0 0 177.251 1.386 10 0 ADAERN C[C@@]1(C(N)=O)CCCc2ccccc21 166271077 344277218 /nfs/dbraw/zinc/27/72/18/344277218.db2.gz UNHIVRPSUKLWKX-GFCCVEGCSA-N 0 0 189.258 1.766 10 0 ADAERN C[C@]1(C(N)=O)CCCc2ccccc21 166270950 344277224 /nfs/dbraw/zinc/27/72/24/344277224.db2.gz UNHIVRPSUKLWKX-LBPRGKRZSA-N 0 0 189.258 1.766 10 0 ADAERN C/C=C/Cn1cnc(Cl)c(N)c1=O 166267001 344277262 /nfs/dbraw/zinc/27/72/62/344277262.db2.gz DJNXGZIGXAKONS-NSCUHMNNSA-N 0 0 199.641 1.055 10 0 ADAERN NN[C@H](c1cccnc1)c1ccoc1 166247165 344277312 /nfs/dbraw/zinc/27/73/12/344277312.db2.gz NVRVEURUJRHUQH-SNVBAGLBSA-N 0 0 189.218 1.227 10 0 ADAERN CC(C)Nc1cccc(C(N)=O)n1 166269081 344277341 /nfs/dbraw/zinc/27/73/41/344277341.db2.gz XHOJFKOGSBUVDZ-UHFFFAOYSA-N 0 0 179.223 1.001 10 0 ADAERN Nc1cc(F)ccc1-c1ncc[nH]1 166249555 344277393 /nfs/dbraw/zinc/27/73/93/344277393.db2.gz MJEBQHQRNXKUKR-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN NN[C@@H](c1cccnc1)C1CCC1 166247302 344277398 /nfs/dbraw/zinc/27/73/98/344277398.db2.gz JIJIXAARTFAMAM-SNVBAGLBSA-N 0 0 177.251 1.386 10 0 ADAERN Cc1cc2[nH]cnc2o1 166261777 344277409 /nfs/dbraw/zinc/27/74/09/344277409.db2.gz RBYSCQABMSXVMY-UHFFFAOYSA-N 0 0 122.127 1.464 10 0 ADAERN CCc1ccc(CNC=O)cc1 166272492 344277420 /nfs/dbraw/zinc/27/74/20/344277420.db2.gz QEAWTCJQBHWDJG-UHFFFAOYSA-N 0 0 163.220 1.495 10 0 ADAERN NN[C@H](c1ccncc1)c1ccco1 166262816 344277459 /nfs/dbraw/zinc/27/74/59/344277459.db2.gz GTEPGTZYCOCSHK-SNVBAGLBSA-N 0 0 189.218 1.227 10 0 ADAERN CCCn1cnc(Cl)cc1=O 166258621 344277515 /nfs/dbraw/zinc/27/75/15/344277515.db2.gz FPUXMAVUXPRTOI-UHFFFAOYSA-N 0 0 172.615 1.307 10 0 ADAERN NN[C@@H](c1ccncc1)c1ccco1 166262952 344277524 /nfs/dbraw/zinc/27/75/24/344277524.db2.gz GTEPGTZYCOCSHK-JTQLQIEISA-N 0 0 189.218 1.227 10 0 ADAERN Cc1nc(NC(C)C)ncc1CO 166279885 344277736 /nfs/dbraw/zinc/27/77/36/344277736.db2.gz BLBRFADZEYXDCP-UHFFFAOYSA-N 0 0 181.239 1.098 10 0 ADAERN CNc1cnc(C(C)C)nc1CO 166273524 344277751 /nfs/dbraw/zinc/27/77/51/344277751.db2.gz CXLJMHSWLXYJDZ-UHFFFAOYSA-N 0 0 181.239 1.134 10 0 ADAERN OCc1nc(NC2CC2)ccc1Cl 166281725 344277756 /nfs/dbraw/zinc/27/77/56/344277756.db2.gz ARPNRTYQZMXVGB-UHFFFAOYSA-N 0 0 198.653 1.802 10 0 ADAERN Cc1nc(NC(C)(C)C)ncc1CO 166284125 344277760 /nfs/dbraw/zinc/27/77/60/344277760.db2.gz KWXBSLHOWQYWAB-UHFFFAOYSA-N 0 0 195.266 1.488 10 0 ADAERN CCCNc1ncc(CO)c(C)n1 166277786 344277764 /nfs/dbraw/zinc/27/77/64/344277764.db2.gz VHQVDAHRMILZOF-UHFFFAOYSA-N 0 0 181.239 1.099 10 0 ADAERN OCc1cnc(NC2CC2)c(Cl)c1 166281086 344277783 /nfs/dbraw/zinc/27/77/83/344277783.db2.gz FQYUMZRKSJHITG-UHFFFAOYSA-N 0 0 198.653 1.802 10 0 ADAERN CC(C)CNc1cccc(CO)n1 166285261 344277787 /nfs/dbraw/zinc/27/77/87/344277787.db2.gz IEDXGVFHTXNFSM-UHFFFAOYSA-N 0 0 180.251 1.642 10 0 ADAERN CC(C)Nc1cccc(CO)n1 166279245 344277799 /nfs/dbraw/zinc/27/77/99/344277799.db2.gz LGYUDWSLFZQUCC-UHFFFAOYSA-N 0 0 166.224 1.394 10 0 ADAERN CNc1nc(CO)cc2ccccc12 166274690 344277808 /nfs/dbraw/zinc/27/78/08/344277808.db2.gz WFWOWFLGBYRTJU-UHFFFAOYSA-N 0 0 188.230 1.769 10 0 ADAERN CC(C)(C)Nc1cccc(CO)n1 166283438 344277859 /nfs/dbraw/zinc/27/78/59/344277859.db2.gz KJWOWOXJVZGCGZ-UHFFFAOYSA-N 0 0 180.251 1.784 10 0 ADAERN CC(C)(C)Nc1cncc(CO)n1 166282900 344277871 /nfs/dbraw/zinc/27/78/71/344277871.db2.gz DIHPABNYNUGMRQ-UHFFFAOYSA-N 0 0 181.239 1.179 10 0 ADAERN CC(C)(C)Nc1cc(CO)ccn1 166284372 344277891 /nfs/dbraw/zinc/27/78/91/344277891.db2.gz XVHGTLYSNGHRRP-UHFFFAOYSA-N 0 0 180.251 1.784 10 0 ADAERN OCc1ccnc(NC2CC2)c1 166282365 344277895 /nfs/dbraw/zinc/27/78/95/344277895.db2.gz FPHOCRMBHXWCKI-UHFFFAOYSA-N 0 0 164.208 1.148 10 0 ADAERN OCc1cccc(NC2CC2)n1 166281340 344277904 /nfs/dbraw/zinc/27/79/04/344277904.db2.gz DTSOTIWEXUKEGA-UHFFFAOYSA-N 0 0 164.208 1.148 10 0 ADAERN CC(C)CNc1cncc(CO)n1 166284751 344277913 /nfs/dbraw/zinc/27/79/13/344277913.db2.gz DZMOPCAIXNOCNU-UHFFFAOYSA-N 0 0 181.239 1.037 10 0 ADAERN CC(C)(C)Nc1nc(CO)co1 166283981 344277933 /nfs/dbraw/zinc/27/79/33/344277933.db2.gz KVZAFTJIDWOJEZ-UHFFFAOYSA-N 0 0 170.212 1.377 10 0 ADAERN CNc1cc(CO)c2ccccc2n1 166274432 344277946 /nfs/dbraw/zinc/27/79/46/344277946.db2.gz UWFFYNBZNRMKLP-UHFFFAOYSA-N 0 0 188.230 1.769 10 0 ADAERN CC(C)CNc1ccc(CO)nn1 166284500 344277949 /nfs/dbraw/zinc/27/79/49/344277949.db2.gz RVFDSVVKZMCRMJ-UHFFFAOYSA-N 0 0 181.239 1.037 10 0 ADAERN CCNc1cnc(C(C)C)nc1CO 166274945 344277966 /nfs/dbraw/zinc/27/79/66/344277966.db2.gz ATRKAXDBVMTDBF-UHFFFAOYSA-N 0 0 195.266 1.524 10 0 ADAERN CC(C)n1cnc(Cl)c(N)c1=O 166275294 344277969 /nfs/dbraw/zinc/27/79/69/344277969.db2.gz IYALVEKGBGYSHJ-UHFFFAOYSA-N 0 0 187.630 1.060 10 0 ADAERN C=C1C[C@H]2CC[C@@H]1C2=O 166285149 344277970 /nfs/dbraw/zinc/27/79/70/344277970.db2.gz AGNLDVAAEUSKOL-RQJHMYQMSA-N 0 0 122.167 1.542 10 0 ADAERN CNc1ccncc1C[NH2+]C(C)C 166293468 344278195 /nfs/dbraw/zinc/27/81/95/344278195.db2.gz HJRNLNBSUQAUPR-UHFFFAOYSA-N 0 0 179.267 1.621 10 0 ADAERN Cc1c[nH]c(=O)c2ccc(O)cc12 166286242 344278233 /nfs/dbraw/zinc/27/82/33/344278233.db2.gz PKEXOJIZXOQVAW-UHFFFAOYSA-N 0 0 175.187 1.542 10 0 ADAERN CNc1ccncc1C[NH2+]C1CC1 166292266 344278250 /nfs/dbraw/zinc/27/82/50/344278250.db2.gz GQKRMLCGDPGTRC-UHFFFAOYSA-N 0 0 177.251 1.375 10 0 ADAERN CC[NH2+]Cc1c[nH+]c(C)cc1NC 166297128 344278324 /nfs/dbraw/zinc/27/83/24/344278324.db2.gz SECGPCPHXBVFON-UHFFFAOYSA-N 0 0 179.267 1.541 10 0 ADAERN CC(C)[C@H](NN)c1ccncc1 166286463 344278331 /nfs/dbraw/zinc/27/83/31/344278331.db2.gz HATDNHRMIFODMU-VIFPVBQESA-N 0 0 165.240 1.242 10 0 ADAERN CC[NH2+]Cc1c(C)cc(C)nc1NC 166299880 344278343 /nfs/dbraw/zinc/27/83/43/344278343.db2.gz DGLXVZNLPFCSJR-UHFFFAOYSA-N 0 0 193.294 1.850 10 0 ADAERN CC(C)(C)[C@H](NN)c1ccncc1 166313939 344278766 /nfs/dbraw/zinc/27/87/66/344278766.db2.gz OVLVUCLVKGLSJW-SECBINFHSA-N 0 0 179.267 1.632 10 0 ADAERN FC(F)Oc1cc(Cl)ncn1 166317152 344278822 /nfs/dbraw/zinc/27/88/22/344278822.db2.gz VZPWRSCHKHLDLD-UHFFFAOYSA-N 0 0 180.541 1.731 10 0 ADAERN CC(C)(C)[C@@H](NN)c1ccncc1 166314059 344278889 /nfs/dbraw/zinc/27/88/89/344278889.db2.gz OVLVUCLVKGLSJW-VIFPVBQESA-N 0 0 179.267 1.632 10 0 ADAERN CC(C)C1CN(C(=O)C2CC2)C1 166313210 344278907 /nfs/dbraw/zinc/27/89/07/344278907.db2.gz GEYGUGOIWPWFLZ-UHFFFAOYSA-N 0 0 167.252 1.511 10 0 ADAERN NN[C@H](c1ccncc1)C1CCC1 166315551 344278934 /nfs/dbraw/zinc/27/89/34/344278934.db2.gz HACNAVSGURRIGO-JTQLQIEISA-N 0 0 177.251 1.386 10 0 ADAERN NN[C@@H](c1ccncc1)c1ccoc1 166315190 344278936 /nfs/dbraw/zinc/27/89/36/344278936.db2.gz KJZVJDFCKNSJTC-JTQLQIEISA-N 0 0 189.218 1.227 10 0 ADAERN NN[C@H](c1ccncc1)c1ccoc1 166315311 344279025 /nfs/dbraw/zinc/27/90/25/344279025.db2.gz KJZVJDFCKNSJTC-SNVBAGLBSA-N 0 0 189.218 1.227 10 0 ADAERN NN[C@@H](c1ccncc1)C1CCC1 166315431 344279035 /nfs/dbraw/zinc/27/90/35/344279035.db2.gz HACNAVSGURRIGO-SNVBAGLBSA-N 0 0 177.251 1.386 10 0 ADAERN CC1=CCN(c2nccc(N)n2)CC1 166301949 344279045 /nfs/dbraw/zinc/27/90/45/344279045.db2.gz BGGSZRVEVVPLRV-UHFFFAOYSA-N 0 0 190.250 1.215 10 0 ADAERN NN[C@@H](c1ccsc1)c1ccco1 166331264 344279284 /nfs/dbraw/zinc/27/92/84/344279284.db2.gz MAPKZLDPDCZHSC-VIFPVBQESA-N 0 0 194.259 1.894 10 0 ADAERN CCC(=O)C1CC(OC)C1 166322974 344279311 /nfs/dbraw/zinc/27/93/11/344279311.db2.gz IKUSVVCHAPVKHO-UHFFFAOYSA-N 0 0 142.198 1.391 10 0 ADAERN NN[C@H](c1ccsc1)C1CC1 166329965 344279321 /nfs/dbraw/zinc/27/93/21/344279321.db2.gz RFSBAAFKEABEHB-QMMMGPOBSA-N 0 0 168.265 1.663 10 0 ADAERN CCc1[nH]c(C(C)(C)C)nc1O 166340280 344279350 /nfs/dbraw/zinc/27/93/50/344279350.db2.gz YDUHEBUEMXBCST-UHFFFAOYSA-N 0 0 168.240 1.975 10 0 ADAERN NNCCc1cc(F)ccc1Cl 166336508 344279519 /nfs/dbraw/zinc/27/95/19/344279519.db2.gz ANSVNQMIMASKHF-UHFFFAOYSA-N 0 0 188.633 1.485 10 0 ADAERN NN[C@@H](c1ccsc1)C1CC1 166329871 344279573 /nfs/dbraw/zinc/27/95/73/344279573.db2.gz RFSBAAFKEABEHB-MRVPVSSYSA-N 0 0 168.265 1.663 10 0 ADAERN NN[C@H](c1ccsc1)c1ccco1 166331140 344279604 /nfs/dbraw/zinc/27/96/04/344279604.db2.gz MAPKZLDPDCZHSC-SECBINFHSA-N 0 0 194.259 1.894 10 0 ADAERN CC(C)[C@H](NN)c1ccsc1 166358079 344279834 /nfs/dbraw/zinc/27/98/34/344279834.db2.gz IOPNFRGLVLQFMP-QMMMGPOBSA-N 0 0 170.281 1.909 10 0 ADAERN Cc1ccc(O)cc1NC=O 166365718 344280013 /nfs/dbraw/zinc/28/00/13/344280013.db2.gz IQTKWDUKEIUKHR-UHFFFAOYSA-N 0 0 151.165 1.269 10 0 ADAERN CC(C)[C@@H](O)C(=O)C(C)(C)C 166354700 344280016 /nfs/dbraw/zinc/28/00/16/344280016.db2.gz WHFDOTSMRNAFHN-SSDOTTSWSA-N 0 0 158.241 1.619 10 0 ADAERN CC(C)[C@@H](NN)c1ccsc1 166358199 344280093 /nfs/dbraw/zinc/28/00/93/344280093.db2.gz IOPNFRGLVLQFMP-MRVPVSSYSA-N 0 0 170.281 1.909 10 0 ADAERN CCc1nc(Cl)cc(=O)n1CC 166363570 344280247 /nfs/dbraw/zinc/28/02/47/344280247.db2.gz NLCLPYPLXJGLAR-UHFFFAOYSA-N 0 0 186.642 1.479 10 0 ADAERN Nc1ccc2c(=O)[nH]ccc2c1Cl 166382863 344280462 /nfs/dbraw/zinc/28/04/62/344280462.db2.gz UQFBJTXEFCUIGH-UHFFFAOYSA-N 0 0 194.621 1.764 10 0 ADAERN Cn1c(C2CC2)nc(Cl)cc1=O 166372603 344280485 /nfs/dbraw/zinc/28/04/85/344280485.db2.gz SUHLWQCBUNGEOL-UHFFFAOYSA-N 0 0 184.626 1.311 10 0 ADAERN CC(C)(C)[C@@H]1CC[N@@H+](/C=C/C(=O)[O-])C1 166400560 344280652 /nfs/dbraw/zinc/28/06/52/344280652.db2.gz VMCQSJQBYPLFBB-VPIOIWJLSA-N 0 0 197.278 1.953 10 0 ADAERN CCNc1cc(C(=O)[O-])cc(C)[nH+]1 166399675 344280676 /nfs/dbraw/zinc/28/06/76/344280676.db2.gz LSXNWGMYJQBQLB-UHFFFAOYSA-N 0 0 180.207 1.520 10 0 ADAERN CC(C)c1nc(Cl)cc(=O)n1C 166379585 344280691 /nfs/dbraw/zinc/28/06/91/344280691.db2.gz DDNRAKQEGFTYDG-UHFFFAOYSA-N 0 0 186.642 1.557 10 0 ADAERN NN[C@H](c1ccc(F)c(F)c1)C1CC1 166409909 344280918 /nfs/dbraw/zinc/28/09/18/344280918.db2.gz MDOQOHCODSTYTA-JTQLQIEISA-N 0 0 198.216 1.879 10 0 ADAERN c1cc(NC2CC2)n2ccnc2c1 166403098 344280923 /nfs/dbraw/zinc/28/09/23/344280923.db2.gz KBYBIXZEANAAPT-UHFFFAOYSA-N 0 0 173.219 1.909 10 0 ADAERN NN[C@@H](c1ccc(F)c(F)c1)C1CC1 166409791 344280937 /nfs/dbraw/zinc/28/09/37/344280937.db2.gz MDOQOHCODSTYTA-SNVBAGLBSA-N 0 0 198.216 1.879 10 0 ADAERN C[C@H](CO)Nc1cccc2nccn12 166407751 344280947 /nfs/dbraw/zinc/28/09/47/344280947.db2.gz UXWVNPGRSFFSSK-MRVPVSSYSA-N 0 0 191.234 1.127 10 0 ADAERN CCN(C)c1cc(CO)cc(C)n1 166418521 344280961 /nfs/dbraw/zinc/28/09/61/344280961.db2.gz JAZMVJIPOCISFC-UHFFFAOYSA-N 0 0 180.251 1.338 10 0 ADAERN COCCNc1cccc2nccn12 166402724 344280968 /nfs/dbraw/zinc/28/09/68/344280968.db2.gz JLAZDFPTSFXIOW-UHFFFAOYSA-N 0 0 191.234 1.393 10 0 ADAERN CNc1cccc2nccn12 166403596 344280984 /nfs/dbraw/zinc/28/09/84/344280984.db2.gz QXCXLUWEIPWQPW-UHFFFAOYSA-N 0 0 147.181 1.376 10 0 ADAERN C[C@@H](CO)Nc1cccc2nccn12 166407639 344281095 /nfs/dbraw/zinc/28/10/95/344281095.db2.gz UXWVNPGRSFFSSK-QMMMGPOBSA-N 0 0 191.234 1.127 10 0 ADAERN CCNc1cccc2nccn12 166403846 344281101 /nfs/dbraw/zinc/28/11/01/344281101.db2.gz VROYYRBHLAAYER-UHFFFAOYSA-N 0 0 161.208 1.766 10 0 ADAERN Cc1cc(CO)cc(N(C)C(C)C)n1 166417154 344281194 /nfs/dbraw/zinc/28/11/94/344281194.db2.gz HKRYILPXEDZXIW-UHFFFAOYSA-N 0 0 194.278 1.727 10 0 ADAERN Cc1cc(CO)cc(NC(C)C)n1 166429317 344281503 /nfs/dbraw/zinc/28/15/03/344281503.db2.gz SDGHJKUJQBQLME-UHFFFAOYSA-N 0 0 180.251 1.703 10 0 ADAERN Cc1cc(CO)cc(OC(C)C)n1 166433767 344281543 /nfs/dbraw/zinc/28/15/43/344281543.db2.gz VYVUUZVRCWCBQR-UHFFFAOYSA-N 0 0 181.235 1.670 10 0 ADAERN Cc1cc(CO)cc(NC2CC2)n1 166429442 344281603 /nfs/dbraw/zinc/28/16/03/344281603.db2.gz ZJPLBYFWSBZAQH-UHFFFAOYSA-N 0 0 178.235 1.457 10 0 ADAERN CN(C(=O)n1ccnc1)C(C)(C)C 166432406 344281691 /nfs/dbraw/zinc/28/16/91/344281691.db2.gz FIRKMSGYDODTOC-UHFFFAOYSA-N 0 0 181.239 1.582 10 0 ADAERN Cc1cc(CO)cc(-n2ccnc2)n1 166430232 344281709 /nfs/dbraw/zinc/28/17/09/344281709.db2.gz ZJIIIWQWSXKJML-UHFFFAOYSA-N 0 0 189.218 1.068 10 0 ADAERN Cc1csc(-c2nc(N)no2)c1N 166443451 344281914 /nfs/dbraw/zinc/28/19/14/344281914.db2.gz MYGBJWOMVQEOCJ-UHFFFAOYSA-N 0 0 196.235 1.271 10 0 ADAERN Cc1csc(-c2nnc[nH]2)c1N 166447265 344281976 /nfs/dbraw/zinc/28/19/76/344281976.db2.gz RFYIXCGVEGAGNG-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN C[C@H](CO)C[C@H]1CCC(C)(C)O1 166441605 344281989 /nfs/dbraw/zinc/28/19/89/344281989.db2.gz MKPRZJMIGGSEHK-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](CO)C[C@H]1CCC(C)(C)O1 166441709 344282003 /nfs/dbraw/zinc/28/20/03/344282003.db2.gz MKPRZJMIGGSEHK-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1csc(-c2nncn2C)c1N 166447396 344282019 /nfs/dbraw/zinc/28/20/19/344282019.db2.gz XONSTRVAQSMQSD-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCOc1cccc(CC(N)=O)c1 166458399 344282023 /nfs/dbraw/zinc/28/20/23/344282023.db2.gz DVELIDHYJDLEAH-UHFFFAOYSA-N 0 0 179.219 1.113 10 0 ADAERN Cc1nc(-c2scc(C)c2N)n[nH]1 166445855 344282039 /nfs/dbraw/zinc/28/20/39/344282039.db2.gz LRPDUWRTQUYGGV-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1noc(-c2scc(C)c2N)n1 166441522 344282115 /nfs/dbraw/zinc/28/21/15/344282115.db2.gz MZULYHHPQPWLMH-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1csc(-c2nc(N)n[nH]2)c1N 166446120 344282080 /nfs/dbraw/zinc/28/20/80/344282080.db2.gz XHOHRAPDPCYCPI-UHFFFAOYSA-N 0 0 195.251 1.006 10 0 ADAERN C[C@H](CO)C[C@@H]1CCC(C)(C)O1 166441383 344282098 /nfs/dbraw/zinc/28/20/98/344282098.db2.gz MKPRZJMIGGSEHK-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H](CO)C[C@@H]1CCC(C)(C)O1 166441500 344282147 /nfs/dbraw/zinc/28/21/47/344282147.db2.gz MKPRZJMIGGSEHK-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN CCCNc1cc(C(N)=O)cc(C)n1 166465445 344282442 /nfs/dbraw/zinc/28/24/42/344282442.db2.gz PBKDNJUQKCWWBD-UHFFFAOYSA-N 0 0 193.250 1.311 10 0 ADAERN CCCNC(=O)c1cc(C)nc(N)c1 166459914 344282491 /nfs/dbraw/zinc/28/24/91/344282491.db2.gz CJCTUENCUCXSIG-UHFFFAOYSA-N 0 0 193.250 1.112 10 0 ADAERN CCNC(=O)c1cc(C)nc(NC)c1 166464028 344282515 /nfs/dbraw/zinc/28/25/15/344282515.db2.gz FNMOQQBTMFMIAI-UHFFFAOYSA-N 0 0 193.250 1.181 10 0 ADAERN Cc1cc(C(=O)NC(C)C)cc(N)n1 166461149 344282526 /nfs/dbraw/zinc/28/25/26/344282526.db2.gz VUPSKQOFAQGZAQ-UHFFFAOYSA-N 0 0 193.250 1.110 10 0 ADAERN CCN(C)C(=O)c1cc(C)nc(N)c1 166466449 344282579 /nfs/dbraw/zinc/28/25/79/344282579.db2.gz YWPJTLFWZLCAFI-UHFFFAOYSA-N 0 0 193.250 1.064 10 0 ADAERN COC(=O)Cc1cc(F)ccc1C 166471090 344282610 /nfs/dbraw/zinc/28/26/10/344282610.db2.gz LEWDNADZMDJXEF-UHFFFAOYSA-N 0 0 182.194 1.850 10 0 ADAERN CCNc1cc(C(=O)NC)cc(C)n1 166463260 344282701 /nfs/dbraw/zinc/28/27/01/344282701.db2.gz HCCZBJIJBNOUSX-UHFFFAOYSA-N 0 0 193.250 1.181 10 0 ADAERN CC1(C)CC[C@@H](C[C@H]2CCNC2=O)O1 166486945 344282828 /nfs/dbraw/zinc/28/28/28/344282828.db2.gz VYVGXBWDGWDKGD-BDAKNGLRSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)(C)C(=O)C1=C(O)CCOC1 166490387 344282967 /nfs/dbraw/zinc/28/29/67/344282967.db2.gz OVNARHOKFXPDNC-SSDOTTSWSA-N 0 0 184.235 1.207 10 0 ADAERN CC1(C)CC[C@@H](C[C@@H]2CCNC2=O)O1 166486707 344283002 /nfs/dbraw/zinc/28/30/02/344283002.db2.gz VYVGXBWDGWDKGD-IUCAKERBSA-N 0 0 197.278 1.470 10 0 ADAERN CC1(C)CC[C@H](C[C@@H]2CCNC2=O)O1 166486591 344283186 /nfs/dbraw/zinc/28/31/86/344283186.db2.gz VYVGXBWDGWDKGD-DTWKUNHWSA-N 0 0 197.278 1.470 10 0 ADAERN CC1(C)CC[C@H](C[C@H]2CCNC2=O)O1 166486834 344283243 /nfs/dbraw/zinc/28/32/43/344283243.db2.gz VYVGXBWDGWDKGD-RKDXNWHRSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)(C)C(=O)C1=C(O)CCOC1 166490510 344283261 /nfs/dbraw/zinc/28/32/61/344283261.db2.gz OVNARHOKFXPDNC-ZETCQYMHSA-N 0 0 184.235 1.207 10 0 ADAERN OCc1cc(NC2CC2)ncc1Cl 166502135 344283341 /nfs/dbraw/zinc/28/33/41/344283341.db2.gz KNFJHMISINAHHO-UHFFFAOYSA-N 0 0 198.653 1.802 10 0 ADAERN CN1CCC[C@@H]1c1ccon1 166491347 344283399 /nfs/dbraw/zinc/28/33/99/344283399.db2.gz LRSMYGZUGYNKTR-MRVPVSSYSA-N 0 0 152.197 1.441 10 0 ADAERN C[C@H]1C[C@@H](C(=O)C2CC2)CO1 166510865 344283458 /nfs/dbraw/zinc/28/34/58/344283458.db2.gz XQAYGJNWOQIZRR-POYBYMJQSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)C1CC1 166510046 344283473 /nfs/dbraw/zinc/28/34/73/344283473.db2.gz XWEBIDISTPUVMG-HZGVNTEJSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@H]1C[C@H](C(=O)C2CC2)CO1 166510612 344283512 /nfs/dbraw/zinc/28/35/12/344283512.db2.gz XQAYGJNWOQIZRR-XPUUQOCRSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)C2CC2)CO1 166510735 344283585 /nfs/dbraw/zinc/28/35/85/344283585.db2.gz XQAYGJNWOQIZRR-HTRCEHHLSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)C1CC1 166510147 344283589 /nfs/dbraw/zinc/28/35/89/344283589.db2.gz XWEBIDISTPUVMG-IMTBSYHQSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1C[C@H](C(=O)C2CC2)CO1 166510521 344283603 /nfs/dbraw/zinc/28/36/03/344283603.db2.gz XQAYGJNWOQIZRR-SVRRBLITSA-N 0 0 154.209 1.391 10 0 ADAERN CNc1cc(CO)c(Cl)cn1 166501632 344283660 /nfs/dbraw/zinc/28/36/60/344283660.db2.gz DJTHIMOQHDGFDI-UHFFFAOYSA-N 0 0 172.615 1.269 10 0 ADAERN CN1CCC[C@H]1c1ccon1 166491454 344283669 /nfs/dbraw/zinc/28/36/69/344283669.db2.gz LRSMYGZUGYNKTR-QMMMGPOBSA-N 0 0 152.197 1.441 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)C1CC1 166509907 344283683 /nfs/dbraw/zinc/28/36/83/344283683.db2.gz XWEBIDISTPUVMG-RCOVLWMOSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)C1CC1 166509795 344283696 /nfs/dbraw/zinc/28/36/96/344283696.db2.gz XWEBIDISTPUVMG-MUWHJKNJSA-N 0 0 154.209 1.391 10 0 ADAERN CCNc1cc(CO)c(Cl)cn1 166501753 344283719 /nfs/dbraw/zinc/28/37/19/344283719.db2.gz USTKFWBPIPQSBE-UHFFFAOYSA-N 0 0 186.642 1.659 10 0 ADAERN CC[C@H]1CCN(c2nc(CO)co2)C1 166528290 344283910 /nfs/dbraw/zinc/28/39/10/344283910.db2.gz OXSWTPSBIBRXBJ-QMMMGPOBSA-N 0 0 196.250 1.403 10 0 ADAERN CC[C@@H]1CCN(c2nc(CO)co2)C1 166528178 344284006 /nfs/dbraw/zinc/28/40/06/344284006.db2.gz OXSWTPSBIBRXBJ-MRVPVSSYSA-N 0 0 196.250 1.403 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)C2CC2)O1 166523158 344284051 /nfs/dbraw/zinc/28/40/51/344284051.db2.gz MJWAPUCMKKUKRB-XPUUQOCRSA-N 0 0 154.209 1.533 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)C2CC2)O1 166522820 344284153 /nfs/dbraw/zinc/28/41/53/344284153.db2.gz MJWAPUCMKKUKRB-HTRCEHHLSA-N 0 0 154.209 1.533 10 0 ADAERN C[C@H]1CC[C@H](C(=O)C2CC2)O1 166522933 344284249 /nfs/dbraw/zinc/28/42/49/344284249.db2.gz MJWAPUCMKKUKRB-POYBYMJQSA-N 0 0 154.209 1.533 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)C2CC2)O1 166523047 344284254 /nfs/dbraw/zinc/28/42/54/344284254.db2.gz MJWAPUCMKKUKRB-SVRRBLITSA-N 0 0 154.209 1.533 10 0 ADAERN CNC(=O)[C@H](F)Cc1ccccc1 166570407 344284324 /nfs/dbraw/zinc/28/43/24/344284324.db2.gz APTXXUIRJOFKIC-SECBINFHSA-N 0 0 181.210 1.313 10 0 ADAERN CNC(=O)c1cc(NC)ncc1Cl 166541840 344284347 /nfs/dbraw/zinc/28/43/47/344284347.db2.gz UYOHCWPFTUPQHM-UHFFFAOYSA-N 0 0 199.641 1.136 10 0 ADAERN Cc1cc(O)c(F)cc1N 166564102 344284352 /nfs/dbraw/zinc/28/43/52/344284352.db2.gz NNJLBXORFBPUAH-UHFFFAOYSA-N 0 0 141.145 1.422 10 0 ADAERN CCCc1cc(C(=O)[O-])cc(NN)[nH+]1 166558251 344284379 /nfs/dbraw/zinc/28/43/79/344284379.db2.gz GFGHFZAEALXXHS-UHFFFAOYSA-N 0 0 195.222 1.018 10 0 ADAERN CCNC(=O)c1cc(N)ncc1Cl 166542321 344284389 /nfs/dbraw/zinc/28/43/89/344284389.db2.gz UEKOERHEAMSRPW-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN Cc1cc2ccncc2n1C 166568249 344284408 /nfs/dbraw/zinc/28/44/08/344284408.db2.gz KRVGJKUHKZNIQL-UHFFFAOYSA-N 0 0 146.193 1.882 10 0 ADAERN Cc1cncc([C@H](C)O)c1 166551681 344284417 /nfs/dbraw/zinc/28/44/17/344284417.db2.gz SVACRPKLVPAIND-ZETCQYMHSA-N 0 0 137.182 1.443 10 0 ADAERN CNC(=O)[C@H](C)CC(C)(C)C 166568112 344284441 /nfs/dbraw/zinc/28/44/41/344284441.db2.gz LTIFIYVOXMPKLB-SSDOTTSWSA-N 0 0 157.257 1.805 10 0 ADAERN CC(C)c1cc(C(N)=O)cc(Cl)n1 166550909 344284479 /nfs/dbraw/zinc/28/44/79/344284479.db2.gz WBOVKVVIAWZCFG-UHFFFAOYSA-N 0 0 198.653 1.957 10 0 ADAERN Cc1cncc([C@@H](C)O)c1 166551589 344284559 /nfs/dbraw/zinc/28/45/59/344284559.db2.gz SVACRPKLVPAIND-SSDOTTSWSA-N 0 0 137.182 1.443 10 0 ADAERN CNC(=O)[C@@H](C)CC(C)(C)C 166567986 344284583 /nfs/dbraw/zinc/28/45/83/344284583.db2.gz LTIFIYVOXMPKLB-ZETCQYMHSA-N 0 0 157.257 1.805 10 0 ADAERN CNC(=O)[C@@H](F)Cc1ccccc1 166570293 344284703 /nfs/dbraw/zinc/28/47/03/344284703.db2.gz APTXXUIRJOFKIC-VIFPVBQESA-N 0 0 181.210 1.313 10 0 ADAERN CCNc1cc(C(N)=O)c(Cl)cn1 166543420 344284737 /nfs/dbraw/zinc/28/47/37/344284737.db2.gz OYEMQNVWHRDURY-UHFFFAOYSA-N 0 0 199.641 1.266 10 0 ADAERN CC1(CCO)CCCC1 166560608 344284741 /nfs/dbraw/zinc/28/47/41/344284741.db2.gz BTYALDWSBYNMBR-UHFFFAOYSA-N 0 0 128.215 1.949 10 0 ADAERN CCNc1cc(C(=O)[O-])cc(CC)[nH+]1 166560915 344284743 /nfs/dbraw/zinc/28/47/43/344284743.db2.gz FPZVQHSCJTWDRB-UHFFFAOYSA-N 0 0 194.234 1.774 10 0 ADAERN COc1cc(F)cc2c(=O)[nH][nH]c12 166593000 344284784 /nfs/dbraw/zinc/28/47/84/344284784.db2.gz JUGPCOPBFKTDQD-UHFFFAOYSA-N 0 0 182.154 1.004 10 0 ADAERN Cn1c(CO)cnc1SC1CC1 166579644 344284791 /nfs/dbraw/zinc/28/47/91/344284791.db2.gz IDNNBEYUBCGSKR-UHFFFAOYSA-N 0 0 184.264 1.167 10 0 ADAERN Cc1ccc(F)c2[nH][nH]c(=O)c12 166583330 344284821 /nfs/dbraw/zinc/28/48/21/344284821.db2.gz CJKIXNPUCAMYDT-UHFFFAOYSA-N 0 0 166.155 1.304 10 0 ADAERN Nc1ccc(SC2CC2)nc1 166572536 344284855 /nfs/dbraw/zinc/28/48/55/344284855.db2.gz QCBNEHVVHHLWCH-UHFFFAOYSA-N 0 0 166.249 1.918 10 0 ADAERN Cc1cn(CC(F)(F)F)c(=O)[nH]1 166580374 344284871 /nfs/dbraw/zinc/28/48/71/344284871.db2.gz LSGZPBPFQMAGGL-UHFFFAOYSA-N 0 0 180.129 1.047 10 0 ADAERN Nc1ccc(SC2CC2)cn1 166572665 344284891 /nfs/dbraw/zinc/28/48/91/344284891.db2.gz ROBXRHSPBUMIJH-UHFFFAOYSA-N 0 0 166.249 1.918 10 0 ADAERN CCc1cccc2c(=O)[nH][nH]c12 166578076 344284899 /nfs/dbraw/zinc/28/48/99/344284899.db2.gz FXRPKNPYTYNROY-UHFFFAOYSA-N 0 0 162.192 1.419 10 0 ADAERN Nc1cccnc1SC1CC1 166572430 344284919 /nfs/dbraw/zinc/28/49/19/344284919.db2.gz CIUKTVMQGHGSHW-UHFFFAOYSA-N 0 0 166.249 1.918 10 0 ADAERN CC(C)c1ccc2[nH][nH]c(=O)c2c1 166577209 344284945 /nfs/dbraw/zinc/28/49/45/344284945.db2.gz JHKPXEOXGORMSV-UHFFFAOYSA-N 0 0 176.219 1.980 10 0 ADAERN Nc1cc(F)c(N)c2ncccc12 166587113 344284997 /nfs/dbraw/zinc/28/49/97/344284997.db2.gz MCGIZDHTBPOPOW-UHFFFAOYSA-N 0 0 177.182 1.538 10 0 ADAERN CC(C)n1c(N)nnc1SC1CC1 166573963 344285074 /nfs/dbraw/zinc/28/50/74/344285074.db2.gz PLZFYBGZBLYACU-UHFFFAOYSA-N 0 0 198.295 1.696 10 0 ADAERN CCCc1ccc2[nH][nH]c(=O)c2c1 166577576 344285089 /nfs/dbraw/zinc/28/50/89/344285089.db2.gz QJZBZNOBTYQQQK-UHFFFAOYSA-N 0 0 176.219 1.809 10 0 ADAERN Cc1ccc(Cl)c2c(=O)[nH][nH]c12 166584063 344285093 /nfs/dbraw/zinc/28/50/93/344285093.db2.gz ANNWJPMLNKMISW-UHFFFAOYSA-N 0 0 182.610 1.818 10 0 ADAERN COc1ccc(C)c2c(=O)[nH][nH]c12 166579704 344285097 /nfs/dbraw/zinc/28/50/97/344285097.db2.gz RMGHQNVGGFDSIB-UHFFFAOYSA-N 0 0 178.191 1.173 10 0 ADAERN Cc1c[nH]c(=O)n1CC(F)(F)F 166580254 344285172 /nfs/dbraw/zinc/28/51/72/344285172.db2.gz GWGPJUHQOWOTAW-UHFFFAOYSA-N 0 0 180.129 1.047 10 0 ADAERN Cc1cc(F)cc2c(=O)[nH][nH]c12 166578684 344285192 /nfs/dbraw/zinc/28/51/92/344285192.db2.gz LTAZGXDKSDMUBF-UHFFFAOYSA-N 0 0 166.155 1.304 10 0 ADAERN Nc1cnccc1SC1CC1 166572302 344285210 /nfs/dbraw/zinc/28/52/10/344285210.db2.gz LLDZXQXMADMKQK-UHFFFAOYSA-N 0 0 166.249 1.918 10 0 ADAERN O=C1CCNCc2cc(F)ccc21 166598758 344285299 /nfs/dbraw/zinc/28/52/99/344285299.db2.gz FDCRIDVYTLJUOZ-UHFFFAOYSA-N 0 0 179.194 1.502 10 0 ADAERN CCc1cc(CO)cc(OC)n1 166605863 344285314 /nfs/dbraw/zinc/28/53/14/344285314.db2.gz MNHFEHIQMLRDSM-UHFFFAOYSA-N 0 0 167.208 1.145 10 0 ADAERN CCc1cc(CO)cc(N(C)C)n1 166593729 344285317 /nfs/dbraw/zinc/28/53/17/344285317.db2.gz RCCMEGIFNKAABH-UHFFFAOYSA-N 0 0 180.251 1.202 10 0 ADAERN COc1cc(CO)cc(C(C)C)n1 166606100 344285361 /nfs/dbraw/zinc/28/53/61/344285361.db2.gz HZSWRWIINPDJFT-UHFFFAOYSA-N 0 0 181.235 1.706 10 0 ADAERN CCCc1cc(CO)cc(NC)n1 166599375 344285378 /nfs/dbraw/zinc/28/53/78/344285378.db2.gz QXYYARGZSRCKQU-UHFFFAOYSA-N 0 0 180.251 1.568 10 0 ADAERN CC(C)c1cc(CO)cc(N(C)C)n1 166593387 344285383 /nfs/dbraw/zinc/28/53/83/344285383.db2.gz JFEXAEQIGPKKBQ-UHFFFAOYSA-N 0 0 194.278 1.763 10 0 ADAERN O=C1N[C@@H]2c3ccc(F)cc3C[C@@H]12 166593367 344285390 /nfs/dbraw/zinc/28/53/90/344285390.db2.gz QUTXHPZNSGQSFG-RKDXNWHRSA-N 0 0 177.178 1.169 10 0 ADAERN O=C1N[C@@H]2c3ccc(F)cc3C[C@H]12 166593474 344285399 /nfs/dbraw/zinc/28/53/99/344285399.db2.gz QUTXHPZNSGQSFG-DTWKUNHWSA-N 0 0 177.178 1.169 10 0 ADAERN Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 166598385 344285402 /nfs/dbraw/zinc/28/54/02/344285402.db2.gz GGFZKPCZVPRJCF-UHFFFAOYSA-N 0 0 192.193 1.679 10 0 ADAERN Nc1cc(F)c(O)c2ncccc12 166598575 344285415 /nfs/dbraw/zinc/28/54/15/344285415.db2.gz IOUCLHHCSPKUPN-UHFFFAOYSA-N 0 0 178.166 1.662 10 0 ADAERN CC(C)(C)c1cc(CO)cc(N)n1 166599029 344285422 /nfs/dbraw/zinc/28/54/22/344285422.db2.gz VQGUPNQNHOFAJP-UHFFFAOYSA-N 0 0 180.251 1.454 10 0 ADAERN COc1c(F)cc(N)c2cccnc12 166597034 344285468 /nfs/dbraw/zinc/28/54/68/344285468.db2.gz GEZLDJGJXMCOBP-UHFFFAOYSA-N 0 0 192.193 1.965 10 0 ADAERN CCc1cc(CO)cc(NC)n1 166599624 344285477 /nfs/dbraw/zinc/28/54/77/344285477.db2.gz CCEJLYBICXWKIT-UHFFFAOYSA-N 0 0 166.224 1.178 10 0 ADAERN COc1cc(C)c2[nH][nH]c(=O)c2c1 166594019 344285482 /nfs/dbraw/zinc/28/54/82/344285482.db2.gz YRIPFFSYCZBZDV-UHFFFAOYSA-N 0 0 178.191 1.173 10 0 ADAERN Cc1cccc2c1CNCCC2=O 166599726 344285488 /nfs/dbraw/zinc/28/54/88/344285488.db2.gz ZNMOYAQHSCGGQW-UHFFFAOYSA-N 0 0 175.231 1.671 10 0 ADAERN O=C1N[C@H]2c3ccc(F)cc3C[C@@H]12 166593589 344285496 /nfs/dbraw/zinc/28/54/96/344285496.db2.gz QUTXHPZNSGQSFG-BDAKNGLRSA-N 0 0 177.178 1.169 10 0 ADAERN Cc1cc(Cl)cc2[nH][nH]c(=O)c12 166595560 344285508 /nfs/dbraw/zinc/28/55/08/344285508.db2.gz ORMGERBZPJPGTN-UHFFFAOYSA-N 0 0 182.610 1.818 10 0 ADAERN COc1cc2c(=O)[nH][nH]c2cc1F 166593616 344285535 /nfs/dbraw/zinc/28/55/35/344285535.db2.gz PBZLUSHUIJHGMZ-UHFFFAOYSA-N 0 0 182.154 1.004 10 0 ADAERN CC(C)c1cc(CO)cc(N)n1 166598788 344285573 /nfs/dbraw/zinc/28/55/73/344285573.db2.gz KAWSBUDYSJHVAQ-UHFFFAOYSA-N 0 0 166.224 1.280 10 0 ADAERN O=C1N[C@H]2c3ccc(F)cc3C[C@H]12 166593698 344285576 /nfs/dbraw/zinc/28/55/76/344285576.db2.gz QUTXHPZNSGQSFG-IUCAKERBSA-N 0 0 177.178 1.169 10 0 ADAERN Cc1ccc2c(c1)CNCCC2=O 166598645 344285579 /nfs/dbraw/zinc/28/55/79/344285579.db2.gz AEHFZXWMKGAAGJ-UHFFFAOYSA-N 0 0 175.231 1.671 10 0 ADAERN CCCc1cc(CO)cc(N)n1 166598916 344285632 /nfs/dbraw/zinc/28/56/32/344285632.db2.gz DZMJBVMPGWPZJW-UHFFFAOYSA-N 0 0 166.224 1.109 10 0 ADAERN COc1cccc2c1CNCCC2=O 166600317 344285642 /nfs/dbraw/zinc/28/56/42/344285642.db2.gz ZZMHJJAPXWOZDF-UHFFFAOYSA-N 0 0 191.230 1.371 10 0 ADAERN CNc1cc(CO)cc(C(C)(C)C)n1 166599504 344285698 /nfs/dbraw/zinc/28/56/98/344285698.db2.gz PGPWETZEZXCAFQ-UHFFFAOYSA-N 0 0 194.278 1.913 10 0 ADAERN O=C1CCNCc2c(F)cccc21 166599850 344285692 /nfs/dbraw/zinc/28/56/92/344285692.db2.gz LFLAQQGQBKZVDT-UHFFFAOYSA-N 0 0 179.194 1.502 10 0 ADAERN CCc1cc(CO)cc(NC2CC2)n1 166601565 344285703 /nfs/dbraw/zinc/28/57/03/344285703.db2.gz VXAQRBJMOAYXRQ-UHFFFAOYSA-N 0 0 192.262 1.711 10 0 ADAERN CC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1O 166643819 344285866 /nfs/dbraw/zinc/28/58/66/344285866.db2.gz OWTPYHHUCLVBKH-GDPRMGEGSA-N 0 0 199.294 1.199 10 0 ADAERN CNc1cc(C(N)=O)cc(C(C)C)n1 166633819 344285879 /nfs/dbraw/zinc/28/58/79/344285879.db2.gz CDUWGTPEKPRTRZ-UHFFFAOYSA-N 0 0 193.250 1.346 10 0 ADAERN CC(C)(C)c1cc(C(N)=O)cc(N)n1 166635573 344285907 /nfs/dbraw/zinc/28/59/07/344285907.db2.gz RJVAPSFWBLVDBM-UHFFFAOYSA-N 0 0 193.250 1.060 10 0 ADAERN Clc1ccncc1N[C@H]1CCOC1 166618277 344286183 /nfs/dbraw/zinc/28/61/83/344286183.db2.gz ZDDWYKHWLMQSHV-ZETCQYMHSA-N 0 0 198.653 1.936 10 0 ADAERN CNC(=O)c1cc(N)nc(C(C)C)c1 166632158 344286267 /nfs/dbraw/zinc/28/62/67/344286267.db2.gz KTBXIUHICJIHEO-UHFFFAOYSA-N 0 0 193.250 1.147 10 0 ADAERN CCc1cc(C(=O)NC)cc(NC)n1 166631039 344286280 /nfs/dbraw/zinc/28/62/80/344286280.db2.gz CQWVQPAVVBDKCY-UHFFFAOYSA-N 0 0 193.250 1.045 10 0 ADAERN Clc1ccncc1N[C@@H]1CCOC1 166618158 344286281 /nfs/dbraw/zinc/28/62/81/344286281.db2.gz ZDDWYKHWLMQSHV-SSDOTTSWSA-N 0 0 198.653 1.936 10 0 ADAERN C[C@H]1C[C@@H](C)CN(C(N)=O)[C@H]1C 166658805 344286509 /nfs/dbraw/zinc/28/65/09/344286509.db2.gz QCGFOZOXTIADDR-CSMHCCOUSA-N 0 0 170.256 1.432 10 0 ADAERN C[C@H]1C[C@@H](C)CN(C(N)=S)[C@H]1C 166653727 344286518 /nfs/dbraw/zinc/28/65/18/344286518.db2.gz GPQSBIFUKSGCHK-CSMHCCOUSA-N 0 0 186.324 1.596 10 0 ADAERN CNC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C 166663124 344286543 /nfs/dbraw/zinc/28/65/43/344286543.db2.gz KMXPKCCKNQAZPV-HLTSFMKQSA-N 0 0 184.283 1.692 10 0 ADAERN C[C@H]1[C@H](C)C[C@@H](C)CN1C(N)=S 166653961 344286622 /nfs/dbraw/zinc/28/66/22/344286622.db2.gz GPQSBIFUKSGCHK-PRJMDXOYSA-N 0 0 186.324 1.596 10 0 ADAERN CNC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C 166662890 344286784 /nfs/dbraw/zinc/28/67/84/344286784.db2.gz KMXPKCCKNQAZPV-VGMNWLOBSA-N 0 0 184.283 1.692 10 0 ADAERN C[C@H]1[C@H](C)C[C@@H](C)CN1C(N)=O 166659033 344286798 /nfs/dbraw/zinc/28/67/98/344286798.db2.gz QCGFOZOXTIADDR-PRJMDXOYSA-N 0 0 170.256 1.432 10 0 ADAERN CCC[C@](C)(OC)C(=O)OC 166694504 344286910 /nfs/dbraw/zinc/28/69/10/344286910.db2.gz FHSSDQRXRAZKRB-QMMMGPOBSA-N 0 0 160.213 1.365 10 0 ADAERN C[C@@H]1CCN1c1ncccn1 166676293 344287085 /nfs/dbraw/zinc/28/70/85/344287085.db2.gz CHPZRDJVNRGIGB-SSDOTTSWSA-N 0 0 149.197 1.075 10 0 ADAERN CC(=O)N1CCN=C1c1ccccc1 166689035 344287045 /nfs/dbraw/zinc/28/70/45/344287045.db2.gz ROWISTPLSYWXIG-UHFFFAOYSA-N 0 0 188.230 1.295 10 0 ADAERN C[C@H]1CCN1c1ncccn1 166676404 344287057 /nfs/dbraw/zinc/28/70/57/344287057.db2.gz CHPZRDJVNRGIGB-ZETCQYMHSA-N 0 0 149.197 1.075 10 0 ADAERN O=C(c1cscn1)c1cscn1 166698697 344287184 /nfs/dbraw/zinc/28/71/84/344287184.db2.gz KZFGGDKBFKRLGS-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN C=Cc1c(C)nn(C)c1OC 166681764 344287206 /nfs/dbraw/zinc/28/72/06/344287206.db2.gz PSMRVYXJXPXVMC-UHFFFAOYSA-N 0 0 152.197 1.380 10 0 ADAERN CCC[C@@](C)(OC)C(=O)OC 166694415 344287296 /nfs/dbraw/zinc/28/72/96/344287296.db2.gz FHSSDQRXRAZKRB-MRVPVSSYSA-N 0 0 160.213 1.365 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccc(N)cn1 166729456 344287602 /nfs/dbraw/zinc/28/76/02/344287602.db2.gz RUGSANUYCKSDCT-YUMQZZPRSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncccc1N 166729793 344287631 /nfs/dbraw/zinc/28/76/31/344287631.db2.gz OLBRDVINXNPUKP-SFYZADRCSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccc(N)cn1 166729235 344287635 /nfs/dbraw/zinc/28/76/35/344287635.db2.gz RUGSANUYCKSDCT-JGVFFNPUSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncc(N)cn1 166724778 344287691 /nfs/dbraw/zinc/28/76/91/344287691.db2.gz RCBUNGVUFWVCRY-NKWVEPMBSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ncccc1N 166729576 344287706 /nfs/dbraw/zinc/28/77/06/344287706.db2.gz OLBRDVINXNPUKP-HTQZYQBOSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@H]1C[C@H]1CNc1ncc(N)cn1 166724981 344287712 /nfs/dbraw/zinc/28/77/12/344287712.db2.gz RCBUNGVUFWVCRY-BQBZGAKWSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]1C[C@H]1CNc1ncccc1N 166729883 344287774 /nfs/dbraw/zinc/28/77/74/344287774.db2.gz OLBRDVINXNPUKP-YUMQZZPRSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccc(N)cn1 166729352 344287815 /nfs/dbraw/zinc/28/78/15/344287815.db2.gz RUGSANUYCKSDCT-SFYZADRCSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccc(N)nc1 166730476 344287837 /nfs/dbraw/zinc/28/78/37/344287837.db2.gz WNGOAONSCGDXNQ-HTQZYQBOSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncccc1N 166729695 344287846 /nfs/dbraw/zinc/28/78/46/344287846.db2.gz OLBRDVINXNPUKP-JGVFFNPUSA-N 0 0 177.251 1.732 10 0 ADAERN C=CC(=O)Nc1cnccc1Cl 166719879 344287849 /nfs/dbraw/zinc/28/78/49/344287849.db2.gz LQYAJBPKOYVYOL-UHFFFAOYSA-N 0 0 182.610 1.860 10 0 ADAERN Clc1ccncc1NC1COC1 166708514 344287866 /nfs/dbraw/zinc/28/78/66/344287866.db2.gz RUTQDHKIIJNAAL-UHFFFAOYSA-N 0 0 184.626 1.546 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ncc(N)cn1 166724652 344287882 /nfs/dbraw/zinc/28/78/82/344287882.db2.gz RCBUNGVUFWVCRY-RNFRBKRXSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncncc1N 166752789 344288029 /nfs/dbraw/zinc/28/80/29/344288029.db2.gz RHZHUFLIPPGVIH-RQJHMYQMSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]([NH3+])C(=O)Nc1cnccc1Cl 166746854 344288117 /nfs/dbraw/zinc/28/81/17/344288117.db2.gz BORDPPYTJHSQQT-YFKPBYRVSA-N 0 0 199.641 1.021 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccc(N)nc1 166730569 344288124 /nfs/dbraw/zinc/28/81/24/344288124.db2.gz WNGOAONSCGDXNQ-JGVFFNPUSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccc(N)c(N)[nH+]1 166757454 344288225 /nfs/dbraw/zinc/28/82/25/344288225.db2.gz FVQYYUDASOQANN-RQJHMYQMSA-N 0 0 192.266 1.314 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccc(N)c(N)[nH+]1 166757554 344288314 /nfs/dbraw/zinc/28/83/14/344288314.db2.gz FVQYYUDASOQANN-BQBZGAKWSA-N 0 0 192.266 1.314 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccc(N)nc1 166730671 344288328 /nfs/dbraw/zinc/28/83/28/344288328.db2.gz WNGOAONSCGDXNQ-SFYZADRCSA-N 0 0 177.251 1.732 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ncncc1N 166752563 344288335 /nfs/dbraw/zinc/28/83/35/344288335.db2.gz RHZHUFLIPPGVIH-RNFRBKRXSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncncc1N 166752674 344288374 /nfs/dbraw/zinc/28/83/74/344288374.db2.gz RHZHUFLIPPGVIH-NKWVEPMBSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]1C[C@H]1CNc1ncncc1N 166752895 344288424 /nfs/dbraw/zinc/28/84/24/344288424.db2.gz RHZHUFLIPPGVIH-BQBZGAKWSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccc(N)c(N)[nH+]1 166757301 344288428 /nfs/dbraw/zinc/28/84/28/344288428.db2.gz FVQYYUDASOQANN-RNFRBKRXSA-N 0 0 192.266 1.314 10 0 ADAERN C[C@@H]([NH3+])C(=O)Nc1cnccc1Cl 166747089 344288436 /nfs/dbraw/zinc/28/84/36/344288436.db2.gz BORDPPYTJHSQQT-RXMQYKEDSA-N 0 0 199.641 1.021 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccc(N)c(N)[nH+]1 166757381 344288455 /nfs/dbraw/zinc/28/84/55/344288455.db2.gz FVQYYUDASOQANN-NKWVEPMBSA-N 0 0 192.266 1.314 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccc(N)nc1 166730781 344288459 /nfs/dbraw/zinc/28/84/59/344288459.db2.gz WNGOAONSCGDXNQ-YUMQZZPRSA-N 0 0 177.251 1.732 10 0 ADAERN Nc1cnccc1-c1cnccn1 166766983 344288545 /nfs/dbraw/zinc/28/85/45/344288545.db2.gz QSCNARAZMXISOQ-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Cc1c(-c2ccncc2N)cnn1C 166778205 344288570 /nfs/dbraw/zinc/28/85/70/344288570.db2.gz CEKIFSMIUGTFHG-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCn1cc(-c2ccncc2N)cn1 166764653 344288578 /nfs/dbraw/zinc/28/85/78/344288578.db2.gz SPRAJXPQBSSNGU-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCC(=O)N(C)[C@H]1CCCC[C@H]1O 166777409 344288606 /nfs/dbraw/zinc/28/86/06/344288606.db2.gz ALNPUVKXWTXXJM-DTWKUNHWSA-N 0 0 185.267 1.158 10 0 ADAERN CC(C)C(=O)N(C)[C@H]1CCCC[C@H]1O 166771017 344288628 /nfs/dbraw/zinc/28/86/28/344288628.db2.gz BFDVUKFOKDKSEN-VHSXEESVSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)C(=O)N(C)[C@@H]1CCCC[C@@H]1O 166770665 344288640 /nfs/dbraw/zinc/28/86/40/344288640.db2.gz BFDVUKFOKDKSEN-ZJUUUORDSA-N 0 0 199.294 1.404 10 0 ADAERN C[C@H]1C[C@H]1CNc1cccnc1N 166763223 344288643 /nfs/dbraw/zinc/28/86/43/344288643.db2.gz MVDGJGZCUKWNBS-YUMQZZPRSA-N 0 0 177.251 1.732 10 0 ADAERN Nc1cnccc1Cc1nccs1 166770242 344288741 /nfs/dbraw/zinc/28/87/41/344288741.db2.gz VNEXBKQKBZHFGL-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CCC(=O)N(C)[C@H]1CCCC[C@@H]1O 166777200 344288775 /nfs/dbraw/zinc/28/87/75/344288775.db2.gz ALNPUVKXWTXXJM-IUCAKERBSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@H]1C[C@@H](C)C[N@H+](/C=C/C(=O)[O-])[C@H]1C 166766968 344288853 /nfs/dbraw/zinc/28/88/53/344288853.db2.gz BMSBHPCHJKPPRY-RQYQQKASSA-N 0 0 197.278 1.951 10 0 ADAERN CCC(=O)N(C)[C@@H]1CCCC[C@@H]1O 166777080 344288871 /nfs/dbraw/zinc/28/88/71/344288871.db2.gz ALNPUVKXWTXXJM-BDAKNGLRSA-N 0 0 185.267 1.158 10 0 ADAERN CC(C)C(=O)N(C)[C@H]1CCCC[C@@H]1O 166770781 344288931 /nfs/dbraw/zinc/28/89/31/344288931.db2.gz BFDVUKFOKDKSEN-UWVGGRQHSA-N 0 0 199.294 1.404 10 0 ADAERN C[C@H]1C[C@@H]1CNc1cccnc1N 166763009 344288961 /nfs/dbraw/zinc/28/89/61/344288961.db2.gz MVDGJGZCUKWNBS-JGVFFNPUSA-N 0 0 177.251 1.732 10 0 ADAERN Nc1cnccc1-c1cncc(F)c1 166764517 344288941 /nfs/dbraw/zinc/28/89/41/344288941.db2.gz ALHDNSWDZQBHBN-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN C[C@@H]1C[C@H]1CNc1cccnc1N 166763114 344288948 /nfs/dbraw/zinc/28/89/48/344288948.db2.gz MVDGJGZCUKWNBS-SFYZADRCSA-N 0 0 177.251 1.732 10 0 ADAERN Nc1cnccc1Cc1ccncc1 166767933 344288956 /nfs/dbraw/zinc/28/89/56/344288956.db2.gz PBVHIHZUPOJFFD-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN ONc1nc2ccccc2[nH]1 166788145 344289047 /nfs/dbraw/zinc/28/90/47/344289047.db2.gz MXKAFRZVJLXZDY-UHFFFAOYSA-N 0 0 149.153 1.364 10 0 ADAERN CC(C)(C)[C@@H]1CCN(C=O)C1 166788820 344289207 /nfs/dbraw/zinc/28/92/07/344289207.db2.gz ZQECRHHWFIAIBE-MRVPVSSYSA-N 0 0 155.241 1.511 10 0 ADAERN O=CNc1cnccc1Cl 166780892 344289317 /nfs/dbraw/zinc/28/93/17/344289317.db2.gz ZYXXTPNWIPVYMP-UHFFFAOYSA-N 0 0 156.572 1.303 10 0 ADAERN CC(C)(C)[C@H]1CCN(C=O)C1 166788934 344289320 /nfs/dbraw/zinc/28/93/20/344289320.db2.gz ZQECRHHWFIAIBE-QMMMGPOBSA-N 0 0 155.241 1.511 10 0 ADAERN CCC[C@H]1CCN(C=O)C1 166791343 344289398 /nfs/dbraw/zinc/28/93/98/344289398.db2.gz RFUDQUHQYQZTCX-QMMMGPOBSA-N 0 0 141.214 1.265 10 0 ADAERN CCC[C@@H]1CCN(C=O)C1 166791230 344289418 /nfs/dbraw/zinc/28/94/18/344289418.db2.gz RFUDQUHQYQZTCX-MRVPVSSYSA-N 0 0 141.214 1.265 10 0 ADAERN Nc1cccc2ccn(CCO)c12 166796390 344289459 /nfs/dbraw/zinc/28/94/59/344289459.db2.gz SKNIDTNUYRUHAD-UHFFFAOYSA-N 0 0 176.219 1.216 10 0 ADAERN CCC[C@@H]1CCN(c2n[nH]c(N)n2)C1 166822630 344289571 /nfs/dbraw/zinc/28/95/71/344289571.db2.gz ZAJFTEMQSTUJOX-SSDOTTSWSA-N 0 0 195.270 1.013 10 0 ADAERN CC[C@H]1CCN(c2nc(N)ns2)C1 166823449 344289626 /nfs/dbraw/zinc/28/96/26/344289626.db2.gz CHOQAZVZCGVZJC-LURJTMIESA-N 0 0 198.295 1.357 10 0 ADAERN CC(C)[C@H](NN)c1ccco1 166821672 344289705 /nfs/dbraw/zinc/28/97/05/344289705.db2.gz YJDPFXWRTUXDCZ-QMMMGPOBSA-N 0 0 154.213 1.440 10 0 ADAERN CC(C)[C@@H](NN)c1ccco1 166821779 344289757 /nfs/dbraw/zinc/28/97/57/344289757.db2.gz YJDPFXWRTUXDCZ-MRVPVSSYSA-N 0 0 154.213 1.440 10 0 ADAERN CC[C@@H]1CCN(c2nc(N)ns2)C1 166823333 344289838 /nfs/dbraw/zinc/28/98/38/344289838.db2.gz CHOQAZVZCGVZJC-ZCFIWIBFSA-N 0 0 198.295 1.357 10 0 ADAERN CCC[C@H]1CCN(c2n[nH]c(N)n2)C1 166822739 344289771 /nfs/dbraw/zinc/28/97/71/344289771.db2.gz ZAJFTEMQSTUJOX-ZETCQYMHSA-N 0 0 195.270 1.013 10 0 ADAERN Cc1ncc(C[NH2+]C(C)(C)C)c(N)n1 166814707 344289790 /nfs/dbraw/zinc/28/97/90/344289790.db2.gz XGEQJUPKXOXLLA-UHFFFAOYSA-N 0 0 194.282 1.255 10 0 ADAERN C[C@@]1(c2cccnc2N)CCC(=O)C1 166836070 344290018 /nfs/dbraw/zinc/29/00/18/344290018.db2.gz BMYAMTNGVJFCBK-LLVKDONJSA-N 0 0 190.246 1.675 10 0 ADAERN C[C@]1(c2cccnc2N)CCC(=O)C1 166835946 344290037 /nfs/dbraw/zinc/29/00/37/344290037.db2.gz BMYAMTNGVJFCBK-NSHDSACASA-N 0 0 190.246 1.675 10 0 ADAERN C[C@@]1(c2cncnc2)CCC(=O)C1 166842338 344290069 /nfs/dbraw/zinc/29/00/69/344290069.db2.gz IFPYEADVHLNKIT-SNVBAGLBSA-N 0 0 176.219 1.487 10 0 ADAERN CC(C)(C)[C@@H]1CCN(N)C1 166840891 344290111 /nfs/dbraw/zinc/29/01/11/344290111.db2.gz OOEMYKKGYJQNCC-SSDOTTSWSA-N 0 0 142.246 1.228 10 0 ADAERN C[C@]1(c2cncnc2)CCC(=O)C1 166842242 344290319 /nfs/dbraw/zinc/29/03/19/344290319.db2.gz IFPYEADVHLNKIT-JTQLQIEISA-N 0 0 176.219 1.487 10 0 ADAERN CC(C)(C)[C@H]1CCN(N)C1 166840988 344290344 /nfs/dbraw/zinc/29/03/44/344290344.db2.gz OOEMYKKGYJQNCC-ZETCQYMHSA-N 0 0 142.246 1.228 10 0 ADAERN CC(C)[C@@H](NN)C1CCCC1 166831153 344290430 /nfs/dbraw/zinc/29/04/30/344290430.db2.gz CALDSWHTUYIOSD-SECBINFHSA-N 0 0 156.273 1.665 10 0 ADAERN CC(C)[C@H](NN)C1CCCC1 166831053 344290446 /nfs/dbraw/zinc/29/04/46/344290446.db2.gz CALDSWHTUYIOSD-VIFPVBQESA-N 0 0 156.273 1.665 10 0 ADAERN CC[C@@H]1CCN(c2cnc(N)cn2)C1 166843581 344290598 /nfs/dbraw/zinc/29/05/98/344290598.db2.gz MSSYBNBGQFWNLP-MRVPVSSYSA-N 0 0 192.266 1.295 10 0 ADAERN Cc1cncc([C@@H](NN)C(C)C)c1 166844685 344290704 /nfs/dbraw/zinc/29/07/04/344290704.db2.gz RXUBLKFJDUMPMB-JTQLQIEISA-N 0 0 179.267 1.550 10 0 ADAERN Cn1ccnc1[C@@]1(C)CCC(=O)C1 166843791 344290730 /nfs/dbraw/zinc/29/07/30/344290730.db2.gz KYOZKOTYKXENAI-JTQLQIEISA-N 0 0 178.235 1.431 10 0 ADAERN Cc1cncc([C@H](NN)C(C)C)c1 166844575 344290826 /nfs/dbraw/zinc/29/08/26/344290826.db2.gz RXUBLKFJDUMPMB-SNVBAGLBSA-N 0 0 179.267 1.550 10 0 ADAERN Cn1ccnc1[C@]1(C)CCC(=O)C1 166843914 344290939 /nfs/dbraw/zinc/29/09/39/344290939.db2.gz KYOZKOTYKXENAI-SNVBAGLBSA-N 0 0 178.235 1.431 10 0 ADAERN O=c1[nH]c2cnccc2n1CC1CC1 166853911 344290970 /nfs/dbraw/zinc/29/09/70/344290970.db2.gz SQDBJTWIXWXJQR-UHFFFAOYSA-N 0 0 189.218 1.135 10 0 ADAERN CCn1nccc1[C@@]1(C)CCC(=O)C1 166864037 344291009 /nfs/dbraw/zinc/29/10/09/344291009.db2.gz FSXNLIKRJNFNBK-NSHDSACASA-N 0 0 192.262 1.914 10 0 ADAERN CC(C)(C)n1c(=O)[nH]c2cnccc21 166859916 344291061 /nfs/dbraw/zinc/29/10/61/344291061.db2.gz UZOHVZFOBGEWNT-UHFFFAOYSA-N 0 0 191.234 1.480 10 0 ADAERN CCOC[C@@]1(C)CCC(=O)C1 166858779 344291109 /nfs/dbraw/zinc/29/11/09/344291109.db2.gz ARQGGFZOEXTSQQ-VIFPVBQESA-N 0 0 156.225 1.782 10 0 ADAERN C[C@H]1C[C@@H](C)CN(C=O)[C@H]1C 166873675 344291123 /nfs/dbraw/zinc/29/11/23/344291123.db2.gz LNRSYSKVNGGMAG-VGMNWLOBSA-N 0 0 155.241 1.509 10 0 ADAERN Cc1ccc([C@H](NN)C(C)C)cn1 166864877 344291131 /nfs/dbraw/zinc/29/11/31/344291131.db2.gz UQJQAEXKYJZJDL-SNVBAGLBSA-N 0 0 179.267 1.550 10 0 ADAERN CCO[C@H](C(=O)NC(C)C)C(C)C 166866495 344291167 /nfs/dbraw/zinc/29/11/67/344291167.db2.gz RLXCNIGKGPKPMQ-VIFPVBQESA-N 0 0 187.283 1.572 10 0 ADAERN CCn1nccc1[C@]1(C)CCC(=O)C1 166863940 344291173 /nfs/dbraw/zinc/29/11/73/344291173.db2.gz FSXNLIKRJNFNBK-LLVKDONJSA-N 0 0 192.262 1.914 10 0 ADAERN CCOC[C@]1(C)CCC(=O)C1 166858674 344291177 /nfs/dbraw/zinc/29/11/77/344291177.db2.gz ARQGGFZOEXTSQQ-SECBINFHSA-N 0 0 156.225 1.782 10 0 ADAERN C[C@]1(c2cnccn2)CCC(=O)C1 166873022 344291212 /nfs/dbraw/zinc/29/12/12/344291212.db2.gz ZBDZTDPZNCJOSM-JTQLQIEISA-N 0 0 176.219 1.487 10 0 ADAERN COc1ccc([C@@H]2NCCS2)cn1 166869968 344291217 /nfs/dbraw/zinc/29/12/17/344291217.db2.gz BGDBDTSMRHGYCC-SECBINFHSA-N 0 0 196.275 1.425 10 0 ADAERN Cc1ccc([C@@H](NN)C(C)C)cn1 166864989 344291236 /nfs/dbraw/zinc/29/12/36/344291236.db2.gz UQJQAEXKYJZJDL-JTQLQIEISA-N 0 0 179.267 1.550 10 0 ADAERN O=C1CCC2(CCCCC2)CN1 166868077 344291262 /nfs/dbraw/zinc/29/12/62/344291262.db2.gz ZKZGRSUWUUNJIT-UHFFFAOYSA-N 0 0 167.252 1.847 10 0 ADAERN CCO[C@@H](C(=O)NC(C)C)C(C)C 166866598 344291333 /nfs/dbraw/zinc/29/13/33/344291333.db2.gz RLXCNIGKGPKPMQ-SECBINFHSA-N 0 0 187.283 1.572 10 0 ADAERN C[C@@]1(c2cnccn2)CCC(=O)C1 166873114 344291340 /nfs/dbraw/zinc/29/13/40/344291340.db2.gz ZBDZTDPZNCJOSM-SNVBAGLBSA-N 0 0 176.219 1.487 10 0 ADAERN C[C@H]1[C@H](C)C[C@@H](C)CN1C=O 166873892 344291353 /nfs/dbraw/zinc/29/13/53/344291353.db2.gz LNRSYSKVNGGMAG-HLTSFMKQSA-N 0 0 155.241 1.509 10 0 ADAERN COc1ccc([C@H]2NCCS2)cn1 166870079 344291364 /nfs/dbraw/zinc/29/13/64/344291364.db2.gz BGDBDTSMRHGYCC-VIFPVBQESA-N 0 0 196.275 1.425 10 0 ADAERN CC1=C(CO)CCCO1 166859127 344291377 /nfs/dbraw/zinc/29/13/77/344291377.db2.gz NDWXADRBAIVSLB-UHFFFAOYSA-N 0 0 128.171 1.063 10 0 ADAERN COc1ccc(/C=C(/F)CO)cc1 166884616 344291507 /nfs/dbraw/zinc/29/15/07/344291507.db2.gz DWYWKQKDWNNSDO-RMKNXTFCSA-N 0 0 182.194 1.998 10 0 ADAERN CCc1csc(C(=O)OC)n1 166877599 344291695 /nfs/dbraw/zinc/29/16/95/344291695.db2.gz ATQYICXXIDBTJF-UHFFFAOYSA-N 0 0 171.221 1.492 10 0 ADAERN Cn1cc([C@]2(C)CCC(=O)C2)cn1 166885145 344291783 /nfs/dbraw/zinc/29/17/83/344291783.db2.gz UBRBEVFJIKLDTP-SNVBAGLBSA-N 0 0 178.235 1.431 10 0 ADAERN Cn1nccc1[C@@]1(C)CCC(=O)C1 166881840 344291867 /nfs/dbraw/zinc/29/18/67/344291867.db2.gz DRSDACVAJUNGTR-JTQLQIEISA-N 0 0 178.235 1.431 10 0 ADAERN Cn1nccc1[C@]1(C)CCC(=O)C1 166881946 344291820 /nfs/dbraw/zinc/29/18/20/344291820.db2.gz DRSDACVAJUNGTR-SNVBAGLBSA-N 0 0 178.235 1.431 10 0 ADAERN C[C@H]1[C@H](C)C[C@@H](C)CN1N 166891855 344292066 /nfs/dbraw/zinc/29/20/66/344292066.db2.gz FOBAADZNQGDFJY-PRJMDXOYSA-N 0 0 142.246 1.227 10 0 ADAERN C[C@H]1C[C@@H](C)CN(N)[C@H]1C 166891624 344292092 /nfs/dbraw/zinc/29/20/92/344292092.db2.gz FOBAADZNQGDFJY-CSMHCCOUSA-N 0 0 142.246 1.227 10 0 ADAERN CC(C)[C@@H](NN)C1CCC1 166887105 344292153 /nfs/dbraw/zinc/29/21/53/344292153.db2.gz GDZHJNRJHNQHDL-MRVPVSSYSA-N 0 0 142.246 1.274 10 0 ADAERN Cc1cnc(N)c([C@H](NN)C(C)C)c1 166898602 344292165 /nfs/dbraw/zinc/29/21/65/344292165.db2.gz CDVIAJXHZLLFQZ-SECBINFHSA-N 0 0 194.282 1.133 10 0 ADAERN CC(C)[C@H](NN)C1CCC1 166887000 344292194 /nfs/dbraw/zinc/29/21/94/344292194.db2.gz GDZHJNRJHNQHDL-QMMMGPOBSA-N 0 0 142.246 1.274 10 0 ADAERN CC(C)=C[C@H](NN)C(C)C 166896228 344292249 /nfs/dbraw/zinc/29/22/49/344292249.db2.gz MTMYLEYMAZEJLW-QMMMGPOBSA-N 0 0 142.246 1.441 10 0 ADAERN CC(C)[C@H](NN)c1ccoc1 166886774 344292276 /nfs/dbraw/zinc/29/22/76/344292276.db2.gz HBVAIPNYNMNOTM-QMMMGPOBSA-N 0 0 154.213 1.440 10 0 ADAERN CC(C)=C[C@@H](NN)C(C)C 166896109 344292294 /nfs/dbraw/zinc/29/22/94/344292294.db2.gz MTMYLEYMAZEJLW-MRVPVSSYSA-N 0 0 142.246 1.441 10 0 ADAERN c1nc(-c2ccc3c(c2)NCC3)n[nH]1 166892070 344292379 /nfs/dbraw/zinc/29/23/79/344292379.db2.gz LBYSEORBAMZLCD-UHFFFAOYSA-N 0 0 186.218 1.440 10 0 ADAERN CC(C)[C@@H](NN)c1ccoc1 166886869 344292420 /nfs/dbraw/zinc/29/24/20/344292420.db2.gz HBVAIPNYNMNOTM-MRVPVSSYSA-N 0 0 154.213 1.440 10 0 ADAERN C=Cc1ccc(OC)cc1C(N)=O 166911031 344292495 /nfs/dbraw/zinc/29/24/95/344292495.db2.gz NJPKLZNNCPHRFJ-UHFFFAOYSA-N 0 0 177.203 1.437 10 0 ADAERN COCN1CCc2ccccc2C1=O 166903093 344292496 /nfs/dbraw/zinc/29/24/96/344292496.db2.gz RCDUGFICHBFGLD-UHFFFAOYSA-N 0 0 191.230 1.289 10 0 ADAERN Cc1cnc(N)c([C@@H](NN)C(C)C)c1 166898709 344292509 /nfs/dbraw/zinc/29/25/09/344292509.db2.gz CDVIAJXHZLLFQZ-VIFPVBQESA-N 0 0 194.282 1.133 10 0 ADAERN C[C@H](CCO)c1ccc(N)cc1 166909373 344292541 /nfs/dbraw/zinc/29/25/41/344292541.db2.gz REFZQKIEYQNSAC-MRVPVSSYSA-N 0 0 165.236 1.755 10 0 ADAERN O=C1c2ccccc2CCN1C(F)F 166903208 344292636 /nfs/dbraw/zinc/29/26/36/344292636.db2.gz AVFJGTKJKBUNQL-UHFFFAOYSA-N 0 0 197.184 1.908 10 0 ADAERN C[C@@H](CCO)c1ccc(N)cc1 166909265 344292687 /nfs/dbraw/zinc/29/26/87/344292687.db2.gz REFZQKIEYQNSAC-QMMMGPOBSA-N 0 0 165.236 1.755 10 0 ADAERN COC(=O)/C=C/c1cccc(CO)c1 166908560 344292751 /nfs/dbraw/zinc/29/27/51/344292751.db2.gz BGBTWMVMSVUCBT-AATRIKPKSA-N 0 0 192.214 1.365 10 0 ADAERN CC1(C)CCOCC1=O 166936633 344293011 /nfs/dbraw/zinc/29/30/11/344293011.db2.gz ZCQRVIWULDVTSJ-UHFFFAOYSA-N 0 0 128.171 1.002 10 0 ADAERN Cc1ccnc2[nH]c(=O)ccc12 166922333 344293107 /nfs/dbraw/zinc/29/31/07/344293107.db2.gz HKALFHXVWXZCPT-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN Cc1cc(NC(N)=O)cc(C)n1 166940551 344293154 /nfs/dbraw/zinc/29/31/54/344293154.db2.gz KDQQAWRXVMNISX-UHFFFAOYSA-N 0 0 165.196 1.189 10 0 ADAERN CC(=O)c1cncnc1Cl 166953640 344293504 /nfs/dbraw/zinc/29/35/04/344293504.db2.gz LYEMSNCWPQSQQI-UHFFFAOYSA-N 0 0 156.572 1.333 10 0 ADAERN CCC[C@H]([NH2+]C[C@H]1C[C@@H]1C)C(=O)[O-] 166960510 344293653 /nfs/dbraw/zinc/29/36/53/344293653.db2.gz OMUFYHIJXNSLLV-YIZRAAEISA-N 0 0 185.267 1.485 10 0 ADAERN Cc1ccccc1[C@H](NN)C1CC1 166961869 344293704 /nfs/dbraw/zinc/29/37/04/344293704.db2.gz IGZSFNCIYKSFQF-LLVKDONJSA-N 0 0 176.263 1.909 10 0 ADAERN CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(=O)[O-] 166960301 344293745 /nfs/dbraw/zinc/29/37/45/344293745.db2.gz OMUFYHIJXNSLLV-CIUDSAMLSA-N 0 0 185.267 1.485 10 0 ADAERN ONCc1cncc2ccccc12 166951529 344293776 /nfs/dbraw/zinc/29/37/76/344293776.db2.gz LUKMSFMHOPUZRE-UHFFFAOYSA-N 0 0 174.203 1.714 10 0 ADAERN Cc1ccccc1[C@@H](NN)C1CC1 166961982 344293783 /nfs/dbraw/zinc/29/37/83/344293783.db2.gz IGZSFNCIYKSFQF-NSHDSACASA-N 0 0 176.263 1.909 10 0 ADAERN CC[C@@H](NN)c1ccccc1C 166982457 344293952 /nfs/dbraw/zinc/29/39/52/344293952.db2.gz PYWCMNYWIADWTF-SNVBAGLBSA-N 0 0 164.252 1.909 10 0 ADAERN CC[C@H](NN)c1ccccc1C 166982341 344294045 /nfs/dbraw/zinc/29/40/45/344294045.db2.gz PYWCMNYWIADWTF-JTQLQIEISA-N 0 0 164.252 1.909 10 0 ADAERN OC[C@H](O)c1cncc2ccccc12 166977845 344294102 /nfs/dbraw/zinc/29/41/02/344294102.db2.gz RYGZJJYMEDGRDH-NSHDSACASA-N 0 0 189.214 1.261 10 0 ADAERN OC[C@@H](O)c1cncc2ccccc12 166977739 344294133 /nfs/dbraw/zinc/29/41/33/344294133.db2.gz RYGZJJYMEDGRDH-LLVKDONJSA-N 0 0 189.214 1.261 10 0 ADAERN Cc1cccc([C@H](NN)C2CC2)c1 167002987 344294922 /nfs/dbraw/zinc/29/49/22/344294922.db2.gz FDSLYDGFIGCKDA-LLVKDONJSA-N 0 0 176.263 1.909 10 0 ADAERN Cc1cccc([C@@H](NN)C2CC2)c1 167003059 344295116 /nfs/dbraw/zinc/29/51/16/344295116.db2.gz FDSLYDGFIGCKDA-NSHDSACASA-N 0 0 176.263 1.909 10 0 ADAERN O=c1ccc2c(F)cccc2o1 167023998 344295374 /nfs/dbraw/zinc/29/53/74/344295374.db2.gz YKTOYIVJFQCXRI-UHFFFAOYSA-N 0 0 164.135 1.932 10 0 ADAERN COc1cnc(NC2CC2)nc1 167022162 344295473 /nfs/dbraw/zinc/29/54/73/344295473.db2.gz FJPLOXPTJOLVQN-UHFFFAOYSA-N 0 0 165.196 1.060 10 0 ADAERN COc1cnc(NC2CCCC2)nc1 167022373 344295565 /nfs/dbraw/zinc/29/55/65/344295565.db2.gz PZMHSYXASUMKRG-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CC(C)C/C=C\C(N)=O 167043786 344295857 /nfs/dbraw/zinc/29/58/57/344295857.db2.gz GTPGJHZHLTWXKH-HYXAFXHYSA-N 0 0 127.187 1.074 10 0 ADAERN COc1cnc(N[C@H]2C[C@@H]2C)nc1 167043187 344295909 /nfs/dbraw/zinc/29/59/09/344295909.db2.gz RUHYDCNYLDPLPC-XPUUQOCRSA-N 0 0 179.223 1.306 10 0 ADAERN COc1cnc(N[C@H]2C[C@H]2C)nc1 167043084 344296083 /nfs/dbraw/zinc/29/60/83/344296083.db2.gz RUHYDCNYLDPLPC-SVRRBLITSA-N 0 0 179.223 1.306 10 0 ADAERN COc1cnc(N[C@@H]2C[C@H]2C)nc1 167043277 344296092 /nfs/dbraw/zinc/29/60/92/344296092.db2.gz RUHYDCNYLDPLPC-HTRCEHHLSA-N 0 0 179.223 1.306 10 0 ADAERN CC(C)C(=O)C1(O)CCCC1 167029239 344296111 /nfs/dbraw/zinc/29/61/11/344296111.db2.gz UQKVPLZXMYDNEO-UHFFFAOYSA-N 0 0 156.225 1.517 10 0 ADAERN COc1cnc(N[C@@H]2C[C@@H]2C)nc1 167043364 344296112 /nfs/dbraw/zinc/29/61/12/344296112.db2.gz RUHYDCNYLDPLPC-POYBYMJQSA-N 0 0 179.223 1.306 10 0 ADAERN Nc1ncccc1Oc1ccccn1 167043126 344296116 /nfs/dbraw/zinc/29/61/16/344296116.db2.gz GATBKDRDCFCGHF-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN COc1cnc(NC2CCC2)nc1 167042964 344296126 /nfs/dbraw/zinc/29/61/26/344296126.db2.gz XDQYSHIORAMMON-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CC[C@@H](NN)C1CCCC1 167053220 344296248 /nfs/dbraw/zinc/29/62/48/344296248.db2.gz HCCQMSDACYFFPH-MRVPVSSYSA-N 0 0 142.246 1.419 10 0 ADAERN CC[C@H](NN)c1ccc(C)s1 167063539 344296263 /nfs/dbraw/zinc/29/62/63/344296263.db2.gz ATTOAVJIVRJVAY-ZETCQYMHSA-N 0 0 170.281 1.971 10 0 ADAERN O=Cc1c[nH]nc1[C@@H]1CCCO1 167060398 344296324 /nfs/dbraw/zinc/29/63/24/344296324.db2.gz MHHMSSVAIIZDNY-ZETCQYMHSA-N 0 0 166.180 1.074 10 0 ADAERN CC[C@@H](NN)c1ccc(C)s1 167063649 344296379 /nfs/dbraw/zinc/29/63/79/344296379.db2.gz ATTOAVJIVRJVAY-SSDOTTSWSA-N 0 0 170.281 1.971 10 0 ADAERN c1cc(-c2cnco2)co1 167055148 344296391 /nfs/dbraw/zinc/29/63/91/344296391.db2.gz ABYBUOHSJCFYNC-UHFFFAOYSA-N 0 0 135.122 1.935 10 0 ADAERN COc1cnc(Nn2cccc2)nc1 167056202 344296398 /nfs/dbraw/zinc/29/63/98/344296398.db2.gz XVPRVWDLSZIJGW-UHFFFAOYSA-N 0 0 190.206 1.162 10 0 ADAERN CC[C@H](NN)C1CCCC1 167053127 344296409 /nfs/dbraw/zinc/29/64/09/344296409.db2.gz HCCQMSDACYFFPH-QMMMGPOBSA-N 0 0 142.246 1.419 10 0 ADAERN O=Cc1c[nH]nc1[C@H]1CCCO1 167060505 344296430 /nfs/dbraw/zinc/29/64/30/344296430.db2.gz MHHMSSVAIIZDNY-SSDOTTSWSA-N 0 0 166.180 1.074 10 0 ADAERN COc1cnc(NC2CC(C)C2)nc1 167064900 344296450 /nfs/dbraw/zinc/29/64/50/344296450.db2.gz AXXQSIOXRPBYQL-UHFFFAOYSA-N 0 0 193.250 1.696 10 0 ADAERN Cn1cc(C=O)c([C@@H]2CCCO2)n1 167060969 344296515 /nfs/dbraw/zinc/29/65/15/344296515.db2.gz AKCPEUSQCBVULH-QMMMGPOBSA-N 0 0 180.207 1.084 10 0 ADAERN Cn1cc(C=O)c([C@H]2CCCO2)n1 167061073 344296617 /nfs/dbraw/zinc/29/66/17/344296617.db2.gz AKCPEUSQCBVULH-MRVPVSSYSA-N 0 0 180.207 1.084 10 0 ADAERN COc1cnc(NC2(C)CC2)nc1 167068420 344296710 /nfs/dbraw/zinc/29/67/10/344296710.db2.gz IKCJRDRLFMKFNB-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CC[C@@H](NN)[C@H]1CCc2cccnc21 167086294 344296818 /nfs/dbraw/zinc/29/68/18/344296818.db2.gz QJYOVSBTCHLWDB-NXEZZACHSA-N 0 0 191.278 1.353 10 0 ADAERN CC[C@H](NN)c1ccc(C)nc1 167081614 344296876 /nfs/dbraw/zinc/29/68/76/344296876.db2.gz DRFHMUWKEMGVEI-VIFPVBQESA-N 0 0 165.240 1.304 10 0 ADAERN CC[C@H](NN)[C@H]1CCc2cccnc21 167086192 344296902 /nfs/dbraw/zinc/29/69/02/344296902.db2.gz QJYOVSBTCHLWDB-ZJUUUORDSA-N 0 0 191.278 1.353 10 0 ADAERN Cc1cc(O)cc(NC(N)=O)c1 167079637 344296930 /nfs/dbraw/zinc/29/69/30/344296930.db2.gz GYISBKRMRCFPFS-UHFFFAOYSA-N 0 0 166.180 1.191 10 0 ADAERN Cc1cccnc1Cn1cncn1 167081817 344296936 /nfs/dbraw/zinc/29/69/36/344296936.db2.gz UBVYIFURRAKKKE-UHFFFAOYSA-N 0 0 174.207 1.030 10 0 ADAERN CC[C@H](NN)[C@@H]1CCc2cccnc21 167085955 344296964 /nfs/dbraw/zinc/29/69/64/344296964.db2.gz QJYOVSBTCHLWDB-UWVGGRQHSA-N 0 0 191.278 1.353 10 0 ADAERN CC(C)c1ccc(CNC=O)cn1 167089667 344296971 /nfs/dbraw/zinc/29/69/71/344296971.db2.gz GPGUAXDEFXEXOD-UHFFFAOYSA-N 0 0 178.235 1.451 10 0 ADAERN Cc1ccn(Cc2ncccc2C)n1 167081928 344297032 /nfs/dbraw/zinc/29/70/32/344297032.db2.gz SKWFMURFIFVZCQ-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN CC[C@H](NN)c1sccc1C 167080963 344297051 /nfs/dbraw/zinc/29/70/51/344297051.db2.gz FKCVQAQUYKSOGT-ZETCQYMHSA-N 0 0 170.281 1.971 10 0 ADAERN CC[C@@H](NN)c1sccc1C 167081070 344297063 /nfs/dbraw/zinc/29/70/63/344297063.db2.gz FKCVQAQUYKSOGT-SSDOTTSWSA-N 0 0 170.281 1.971 10 0 ADAERN CCC(=O)N(C(C)C)C1CCOCC1 167084474 344297066 /nfs/dbraw/zinc/29/70/66/344297066.db2.gz OFEQZEPDNFNPTB-UHFFFAOYSA-N 0 0 199.294 1.812 10 0 ADAERN CC[C@@H](NN)[C@@H]1CCc2cccnc21 167086069 344297087 /nfs/dbraw/zinc/29/70/87/344297087.db2.gz QJYOVSBTCHLWDB-VHSXEESVSA-N 0 0 191.278 1.353 10 0 ADAERN Cc1cccnc1Cn1nccc1C 167082055 344297110 /nfs/dbraw/zinc/29/71/10/344297110.db2.gz GXVPSZKVPAIBLA-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN CCN(C)C(=O)[C@@H](C)C1CCOCC1 167105435 344297165 /nfs/dbraw/zinc/29/71/65/344297165.db2.gz HCEWNVJJJGHRQP-VIFPVBQESA-N 0 0 199.294 1.527 10 0 ADAERN CC[C@@H](NN)C1CCC1 167102289 344297198 /nfs/dbraw/zinc/29/71/98/344297198.db2.gz XUEVGCDGUCHMOL-SSDOTTSWSA-N 0 0 128.219 1.028 10 0 ADAERN CC[C@@H](NN)c1csc(C)c1 167105386 344297206 /nfs/dbraw/zinc/29/72/06/344297206.db2.gz OJUZOGKZZHZDQX-MRVPVSSYSA-N 0 0 170.281 1.971 10 0 ADAERN CC[C@@H](NN)c1ccoc1 167102070 344297223 /nfs/dbraw/zinc/29/72/23/344297223.db2.gz IRFZTQVEVNONQO-SSDOTTSWSA-N 0 0 140.186 1.194 10 0 ADAERN CC[C@@H](C=C(C)C)NN 167110403 344297246 /nfs/dbraw/zinc/29/72/46/344297246.db2.gz AFOTTWQPKYGLGW-ZETCQYMHSA-N 0 0 128.219 1.195 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1nncs1 167099768 344297261 /nfs/dbraw/zinc/29/72/61/344297261.db2.gz BSVKEMQHIAGBGW-PHDIDXHHSA-N 0 0 169.253 1.606 10 0 ADAERN Cc1nccnc1NC[C@H]1C[C@@H]1C 167113032 344297272 /nfs/dbraw/zinc/29/72/72/344297272.db2.gz QRCGJOZKYGBVKB-IONNQARKSA-N 0 0 177.251 1.853 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccncn1 167105620 344297287 /nfs/dbraw/zinc/29/72/87/344297287.db2.gz RWRZKEURVLSUTF-YUMQZZPRSA-N 0 0 163.224 1.545 10 0 ADAERN CC[C@H](C=C(C)C)NN 167110507 344297319 /nfs/dbraw/zinc/29/73/19/344297319.db2.gz AFOTTWQPKYGLGW-SSDOTTSWSA-N 0 0 128.219 1.195 10 0 ADAERN CO[C@@H](C)CNOCc1ccccc1 167094716 344297330 /nfs/dbraw/zinc/29/73/30/344297330.db2.gz MNTXWHRZWIVXPR-JTQLQIEISA-N 0 0 195.262 1.743 10 0 ADAERN CO[C@H](C)CNOCc1ccccc1 167094815 344297341 /nfs/dbraw/zinc/29/73/41/344297341.db2.gz MNTXWHRZWIVXPR-SNVBAGLBSA-N 0 0 195.262 1.743 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccncn1 167105307 344297367 /nfs/dbraw/zinc/29/73/67/344297367.db2.gz RWRZKEURVLSUTF-HTQZYQBOSA-N 0 0 163.224 1.545 10 0 ADAERN Cc1nccnc1NC[C@@H]1C[C@@H]1C 167112918 344297405 /nfs/dbraw/zinc/29/74/05/344297405.db2.gz QRCGJOZKYGBVKB-CBAPKCEASA-N 0 0 177.251 1.853 10 0 ADAERN Cc1nccnc1NC[C@H]1C[C@H]1C 167113262 344297418 /nfs/dbraw/zinc/29/74/18/344297418.db2.gz QRCGJOZKYGBVKB-VXNVDRBHSA-N 0 0 177.251 1.853 10 0 ADAERN CCN(C)C(=O)[C@H](C)C1CCOCC1 167105541 344297421 /nfs/dbraw/zinc/29/74/21/344297421.db2.gz HCEWNVJJJGHRQP-SECBINFHSA-N 0 0 199.294 1.527 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccncn1 167105413 344297492 /nfs/dbraw/zinc/29/74/92/344297492.db2.gz RWRZKEURVLSUTF-JGVFFNPUSA-N 0 0 163.224 1.545 10 0 ADAERN CC[C@H](NN)C1CCC1 167102182 344297499 /nfs/dbraw/zinc/29/74/99/344297499.db2.gz XUEVGCDGUCHMOL-ZETCQYMHSA-N 0 0 128.219 1.028 10 0 ADAERN CC[C@H](NN)c1csc(C)c1 167105286 344297505 /nfs/dbraw/zinc/29/75/05/344297505.db2.gz OJUZOGKZZHZDQX-QMMMGPOBSA-N 0 0 170.281 1.971 10 0 ADAERN C[C@@H]1C[C@H]1CNc1nncs1 167099993 344297530 /nfs/dbraw/zinc/29/75/30/344297530.db2.gz BSVKEMQHIAGBGW-RITPCOANSA-N 0 0 169.253 1.606 10 0 ADAERN Cc1cccc([C@@H](C)NN)c1C 167124264 344297666 /nfs/dbraw/zinc/29/76/66/344297666.db2.gz KPJPWKRFDKFQBZ-SECBINFHSA-N 0 0 164.252 1.828 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H](C)NN)C1 167128362 344297699 /nfs/dbraw/zinc/29/76/99/344297699.db2.gz PKTHAGAHWYXQDS-HLTSFMKQSA-N 0 0 156.273 1.665 10 0 ADAERN C[C@H](Cc1cc(F)ccc1F)NN 167127591 344297721 /nfs/dbraw/zinc/29/77/21/344297721.db2.gz KQDWFANHXAHVSJ-ZCFIWIBFSA-N 0 0 186.205 1.359 10 0 ADAERN Cc1ccc(F)cc1[C@H](C)NN 167123941 344297744 /nfs/dbraw/zinc/29/77/44/344297744.db2.gz PQOKPMQRDJPKEX-ZETCQYMHSA-N 0 0 168.215 1.658 10 0 ADAERN Cc1cccc([C@H](C)NN)c1C 167124372 344297758 /nfs/dbraw/zinc/29/77/58/344297758.db2.gz KPJPWKRFDKFQBZ-VIFPVBQESA-N 0 0 164.252 1.828 10 0 ADAERN Oc1ccc(N2CCC[C@H](O)C2)cc1 167128479 344297769 /nfs/dbraw/zinc/29/77/69/344297769.db2.gz MWQGBYSQVUGTDE-NSHDSACASA-N 0 0 193.246 1.353 10 0 ADAERN C[C@@H](NN)c1cccc2cccnc12 167123738 344297772 /nfs/dbraw/zinc/29/77/72/344297772.db2.gz RJMRPKPEVSJYKZ-MRVPVSSYSA-N 0 0 187.246 1.759 10 0 ADAERN C[C@H]1C[C@H]1CNc1ncns1 167126763 344297807 /nfs/dbraw/zinc/29/78/07/344297807.db2.gz XQUPYQKOLDAPNQ-WDSKDSINSA-N 0 0 169.253 1.606 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncns1 167126571 344297812 /nfs/dbraw/zinc/29/78/12/344297812.db2.gz XQUPYQKOLDAPNQ-NTSWFWBYSA-N 0 0 169.253 1.606 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncns1 167126671 344297823 /nfs/dbraw/zinc/29/78/23/344297823.db2.gz XQUPYQKOLDAPNQ-RITPCOANSA-N 0 0 169.253 1.606 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ncns1 167126472 344297855 /nfs/dbraw/zinc/29/78/55/344297855.db2.gz XQUPYQKOLDAPNQ-PHDIDXHHSA-N 0 0 169.253 1.606 10 0 ADAERN Cc1ccc(F)cc1[C@@H](C)NN 167123840 344297857 /nfs/dbraw/zinc/29/78/57/344297857.db2.gz PQOKPMQRDJPKEX-SSDOTTSWSA-N 0 0 168.215 1.658 10 0 ADAERN Cc1ccc(C)c(C[C@H](C)NN)c1 167124810 344297873 /nfs/dbraw/zinc/29/78/73/344297873.db2.gz INNMZKZXPVHRNJ-JTQLQIEISA-N 0 0 178.279 1.698 10 0 ADAERN C[C@@H](Cc1cc(F)ccc1F)NN 167127487 344297880 /nfs/dbraw/zinc/29/78/80/344297880.db2.gz KQDWFANHXAHVSJ-LURJTMIESA-N 0 0 186.205 1.359 10 0 ADAERN Oc1ccc(N2CCC[C@@H](O)C2)cc1 167128385 344297882 /nfs/dbraw/zinc/29/78/82/344297882.db2.gz MWQGBYSQVUGTDE-LLVKDONJSA-N 0 0 193.246 1.353 10 0 ADAERN C[C@H](NN)c1cccc2cccnc12 167123632 344297884 /nfs/dbraw/zinc/29/78/84/344297884.db2.gz RJMRPKPEVSJYKZ-QMMMGPOBSA-N 0 0 187.246 1.759 10 0 ADAERN Cc1ccc(C)c(C[C@@H](C)NN)c1 167124694 344297891 /nfs/dbraw/zinc/29/78/91/344297891.db2.gz INNMZKZXPVHRNJ-SNVBAGLBSA-N 0 0 178.279 1.698 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H](C)NN)C1 167128583 344297962 /nfs/dbraw/zinc/29/79/62/344297962.db2.gz PKTHAGAHWYXQDS-IWSPIJDZSA-N 0 0 156.273 1.665 10 0 ADAERN CO[C@H](C)Cn1nc(C)c(N)c1C 167138520 344298134 /nfs/dbraw/zinc/29/81/34/344298134.db2.gz KFVGKRSJSOIDMA-ZCFIWIBFSA-N 0 0 183.255 1.117 10 0 ADAERN CO[C@H](C)Cn1cc(Cl)c(N)n1 167141940 344298157 /nfs/dbraw/zinc/29/81/57/344298157.db2.gz YAFCMZNZKMRCJA-RXMQYKEDSA-N 0 0 189.646 1.154 10 0 ADAERN C[C@@H](NN)C1CCCCCC1 167136824 344298347 /nfs/dbraw/zinc/29/83/47/344298347.db2.gz KPWVERNPTGVULA-MRVPVSSYSA-N 0 0 156.273 1.809 10 0 ADAERN C[C@H](Cc1ccncc1Cl)NN 167142722 344298245 /nfs/dbraw/zinc/29/82/45/344298245.db2.gz QCJOCKHECJTTQF-ZCFIWIBFSA-N 0 0 185.658 1.129 10 0 ADAERN C[C@@H](Cc1ccncc1Cl)NN 167142645 344298251 /nfs/dbraw/zinc/29/82/51/344298251.db2.gz QCJOCKHECJTTQF-LURJTMIESA-N 0 0 185.658 1.129 10 0 ADAERN CO[C@@H](C)Cn1nc(C)c(N)c1C 167138637 344298264 /nfs/dbraw/zinc/29/82/64/344298264.db2.gz KFVGKRSJSOIDMA-LURJTMIESA-N 0 0 183.255 1.117 10 0 ADAERN Cc1cc(C)cc(C[C@H](C)NN)c1 167132962 344298304 /nfs/dbraw/zinc/29/83/04/344298304.db2.gz DDLBRHPSXXDRMC-JTQLQIEISA-N 0 0 178.279 1.698 10 0 ADAERN Cc1cc(C)cc(C[C@@H](C)NN)c1 167132859 344298334 /nfs/dbraw/zinc/29/83/34/344298334.db2.gz DDLBRHPSXXDRMC-SNVBAGLBSA-N 0 0 178.279 1.698 10 0 ADAERN C[C@H](NN)C1CCCCCC1 167136748 344298362 /nfs/dbraw/zinc/29/83/62/344298362.db2.gz KPWVERNPTGVULA-QMMMGPOBSA-N 0 0 156.273 1.809 10 0 ADAERN CO[C@@H](C)Cn1cc(Cl)c(N)n1 167141840 344298363 /nfs/dbraw/zinc/29/83/63/344298363.db2.gz YAFCMZNZKMRCJA-YFKPBYRVSA-N 0 0 189.646 1.154 10 0 ADAERN C[C@H]1C[C@@H]([C@@H](C)NN)CC[C@H]1C 167153084 344298577 /nfs/dbraw/zinc/29/85/77/344298577.db2.gz IMUCAFBNDGOFIV-RGOKHQFPSA-N 0 0 170.300 1.911 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1cc[nH]c1=S 167154540 344298602 /nfs/dbraw/zinc/29/86/02/344298602.db2.gz JQQDHIAXEWONSJ-RNFRBKRXSA-N 0 0 168.265 1.828 10 0 ADAERN CC[C@]1(C)CC[C@@H](O)C1 167148545 344298634 /nfs/dbraw/zinc/29/86/34/344298634.db2.gz DFZYWVJRAXPKDN-HTQZYQBOSA-N 0 0 128.215 1.948 10 0 ADAERN CC(C)[C@]1(CO)CCO[C@@H]1C1CC1 167152492 344298638 /nfs/dbraw/zinc/29/86/38/344298638.db2.gz DSXCZRPAWHKWBT-GHMZBOCLSA-N 0 0 184.279 1.820 10 0 ADAERN Clc1nnnc2[nH]ccc12 167157188 344298664 /nfs/dbraw/zinc/29/86/64/344298664.db2.gz HEXGGHSAKBSBKN-UHFFFAOYSA-N 0 0 154.560 1.006 10 0 ADAERN C[C@H](NN)c1cccc2cnccc12 167157524 344298668 /nfs/dbraw/zinc/29/86/68/344298668.db2.gz VVVGYLQQHRWYIA-QMMMGPOBSA-N 0 0 187.246 1.759 10 0 ADAERN CC1CCC([C@H](C)NN)CC1 167150385 344298689 /nfs/dbraw/zinc/29/86/89/344298689.db2.gz ICRKXNPTOCXZBI-MGURRDGZSA-N 0 0 156.273 1.665 10 0 ADAERN CC1CCC([C@@H](C)NN)CC1 167150280 344298707 /nfs/dbraw/zinc/29/87/07/344298707.db2.gz ICRKXNPTOCXZBI-QJAFJHJLSA-N 0 0 156.273 1.665 10 0 ADAERN CC[C@]1(C)CC[C@H](O)C1 167148341 344298709 /nfs/dbraw/zinc/29/87/09/344298709.db2.gz DFZYWVJRAXPKDN-JGVFFNPUSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@@H](NN)c1cccc2ncccc12 167158944 344298714 /nfs/dbraw/zinc/29/87/14/344298714.db2.gz JROXNPWBHPHEAG-MRVPVSSYSA-N 0 0 187.246 1.759 10 0 ADAERN CC(C)[C@@]1(CO)CCO[C@@H]1C1CC1 167152594 344298723 /nfs/dbraw/zinc/29/87/23/344298723.db2.gz DSXCZRPAWHKWBT-MNOVXSKESA-N 0 0 184.279 1.820 10 0 ADAERN C[C@H]1C[C@H]1CN1CN=NC1=S 167158643 344298735 /nfs/dbraw/zinc/29/87/35/344298735.db2.gz IKKKUDNVYJCUJW-WDSKDSINSA-N 0 0 169.253 1.223 10 0 ADAERN C[C@@H](NN)c1cccc2cnccc12 167157619 344298739 /nfs/dbraw/zinc/29/87/39/344298739.db2.gz VVVGYLQQHRWYIA-MRVPVSSYSA-N 0 0 187.246 1.759 10 0 ADAERN C[C@H]1C[C@H]1Cn1cc[nH]c1=S 167154847 344298752 /nfs/dbraw/zinc/29/87/52/344298752.db2.gz JQQDHIAXEWONSJ-BQBZGAKWSA-N 0 0 168.265 1.828 10 0 ADAERN CC[C@@]1(C)CC[C@@H](O)C1 167148665 344298757 /nfs/dbraw/zinc/29/87/57/344298757.db2.gz DFZYWVJRAXPKDN-SFYZADRCSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@H]1C[C@@H]1Cn1cc[nH]c1=S 167154649 344298761 /nfs/dbraw/zinc/29/87/61/344298761.db2.gz JQQDHIAXEWONSJ-NKWVEPMBSA-N 0 0 168.265 1.828 10 0 ADAERN CC(C)[C@@]1(CO)CCO[C@H]1C1CC1 167152811 344298765 /nfs/dbraw/zinc/29/87/65/344298765.db2.gz DSXCZRPAWHKWBT-QWRGUYRKSA-N 0 0 184.279 1.820 10 0 ADAERN C[C@@H]1C[C@H]1CN1CN=NC1=S 167158549 344298786 /nfs/dbraw/zinc/29/87/86/344298786.db2.gz IKKKUDNVYJCUJW-RITPCOANSA-N 0 0 169.253 1.223 10 0 ADAERN Nc1ccccc1NCC1(CO)CC1 167153481 344298804 /nfs/dbraw/zinc/29/88/04/344298804.db2.gz WBXYEPQBBLVGIO-UHFFFAOYSA-N 0 0 192.262 1.453 10 0 ADAERN CC[C@@]1(C)CC[C@H](O)C1 167148425 344298858 /nfs/dbraw/zinc/29/88/58/344298858.db2.gz DFZYWVJRAXPKDN-YUMQZZPRSA-N 0 0 128.215 1.948 10 0 ADAERN CC1N=NC(=S)N1C[C@H]1C[C@@H]1C 167159291 344298875 /nfs/dbraw/zinc/29/88/75/344298875.db2.gz GRWFHIKSRYTULB-CAHLUQPWSA-N 0 0 183.280 1.531 10 0 ADAERN CC1N=NC(=S)N1C[C@@H]1C[C@@H]1C 167159194 344298879 /nfs/dbraw/zinc/29/88/79/344298879.db2.gz GRWFHIKSRYTULB-FSPLSTOPSA-N 0 0 183.280 1.531 10 0 ADAERN C[C@H](NN)c1cccc2ncccc12 167158839 344298904 /nfs/dbraw/zinc/29/89/04/344298904.db2.gz JROXNPWBHPHEAG-QMMMGPOBSA-N 0 0 187.246 1.759 10 0 ADAERN C[C@H]1C[C@@H]1CN1CN=NC1=S 167158452 344298921 /nfs/dbraw/zinc/29/89/21/344298921.db2.gz IKKKUDNVYJCUJW-NTSWFWBYSA-N 0 0 169.253 1.223 10 0 ADAERN C[C@@H](Cc1ccsc1)NN 167158633 344298955 /nfs/dbraw/zinc/29/89/55/344298955.db2.gz KGFMCXWOWIJQKO-LURJTMIESA-N 0 0 156.254 1.142 10 0 ADAERN C[C@H](Cc1ccsc1)NN 167158734 344298959 /nfs/dbraw/zinc/29/89/59/344298959.db2.gz KGFMCXWOWIJQKO-ZCFIWIBFSA-N 0 0 156.254 1.142 10 0 ADAERN C[C@]1(c2cccnc2)CC[C@@H](O)C1 167169885 344299007 /nfs/dbraw/zinc/29/90/07/344299007.db2.gz BALSLQFIRXVZDZ-MNOVXSKESA-N 0 0 177.247 1.884 10 0 ADAERN C[C@@H](Cc1cccs1)NN 167164291 344299016 /nfs/dbraw/zinc/29/90/16/344299016.db2.gz CLMNFCYYUXMIAX-LURJTMIESA-N 0 0 156.254 1.142 10 0 ADAERN Cc1cc(F)cc([C@H](C)NN)c1 167171717 344299035 /nfs/dbraw/zinc/29/90/35/344299035.db2.gz TWKHPOVTTMDQJZ-ZETCQYMHSA-N 0 0 168.215 1.658 10 0 ADAERN Cc1cc([C@@H](C)NN)cs1 167166747 344299057 /nfs/dbraw/zinc/29/90/57/344299057.db2.gz GJJIRICKBVFALQ-ZCFIWIBFSA-N 0 0 156.254 1.581 10 0 ADAERN C[C@H]1CC([C@@H](C)NN)C[C@H](C)C1 167159459 344299077 /nfs/dbraw/zinc/29/90/77/344299077.db2.gz SYESCYUQZAQNQE-IWSPIJDZSA-N 0 0 170.300 1.911 10 0 ADAERN COc1cc(N)cc([N+](=O)[O-])c1C 167163386 344299105 /nfs/dbraw/zinc/29/91/05/344299105.db2.gz KUXMSBBDPKTDQH-UHFFFAOYSA-N 0 0 182.179 1.494 10 0 ADAERN C[C@@]1(C2CCOCC2)CC[C@@H](O)C1 167164140 344299127 /nfs/dbraw/zinc/29/91/27/344299127.db2.gz PPGPRECUDQNZOH-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@]1(C2CCOCC2)CC[C@H](O)C1 167163813 344299131 /nfs/dbraw/zinc/29/91/31/344299131.db2.gz PPGPRECUDQNZOH-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@]1(c2cccnc2)CC[C@H](O)C1 167169708 344299134 /nfs/dbraw/zinc/29/91/34/344299134.db2.gz BALSLQFIRXVZDZ-QWRGUYRKSA-N 0 0 177.247 1.884 10 0 ADAERN C[C@H](Cc1ccc(Cl)s1)NN 167164176 344299137 /nfs/dbraw/zinc/29/91/37/344299137.db2.gz WAIXAOVMHISKJV-RXMQYKEDSA-N 0 0 190.699 1.796 10 0 ADAERN C[C@@]1(c2cccnc2)CC[C@@H](O)C1 167169975 344299152 /nfs/dbraw/zinc/29/91/52/344299152.db2.gz BALSLQFIRXVZDZ-GHMZBOCLSA-N 0 0 177.247 1.884 10 0 ADAERN C[C@@]1(C2CCOCC2)CC[C@H](O)C1 167163919 344299187 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C[C@@H]1C[C@]12C(=O)Nc1ccccc12 167423577 344304922 /nfs/dbraw/zinc/30/49/22/344304922.db2.gz CGEQRYUBCADVLO-HQJQHLMTSA-N 0 0 173.215 1.916 10 0 ADAERN C[C@@H]1C[C@@H]1CN1CCCNC1=O 167422438 344304958 /nfs/dbraw/zinc/30/49/58/344304958.db2.gz SPXLHRIUMXYDMT-HTQZYQBOSA-N 0 0 168.240 1.058 10 0 ADAERN COCCc1ccc(C(=O)OC)cc1 167429500 344304987 /nfs/dbraw/zinc/30/49/87/344304987.db2.gz FJKLNDYSYOYCAC-UHFFFAOYSA-N 0 0 194.230 1.662 10 0 ADAERN C[C@H]1C[C@]12C(=O)Nc1ccccc12 167423681 344305016 /nfs/dbraw/zinc/30/50/16/344305016.db2.gz CGEQRYUBCADVLO-CPCISQLKSA-N 0 0 173.215 1.916 10 0 ADAERN C[C@H]1C[C@@H]1CN1CCCNC1=O 167422552 344305025 /nfs/dbraw/zinc/30/50/25/344305025.db2.gz SPXLHRIUMXYDMT-JGVFFNPUSA-N 0 0 168.240 1.058 10 0 ADAERN CCO[C@H](C)n1cc(C)cn1 167441900 344305356 /nfs/dbraw/zinc/30/53/56/344305356.db2.gz GAPRVRNAJGHFFY-MRVPVSSYSA-N 0 0 154.213 1.747 10 0 ADAERN COc1nccnc1[C@](C)(O)C(C)C 167446794 344305408 /nfs/dbraw/zinc/30/54/08/344305408.db2.gz OIQQYWPQTOIDFY-SNVBAGLBSA-N 0 0 196.250 1.349 10 0 ADAERN O[C@@H](C1=CCCCO1)c1ccncc1 167438121 344305414 /nfs/dbraw/zinc/30/54/14/344305414.db2.gz XHUIODHIRUDBKZ-LLVKDONJSA-N 0 0 191.230 1.809 10 0 ADAERN COc1nccnc1C1(O)CCCC1 167446316 344305424 /nfs/dbraw/zinc/30/54/24/344305424.db2.gz NRZSTKFBOKPONI-UHFFFAOYSA-N 0 0 194.234 1.247 10 0 ADAERN O[C@H](C1=CCCCO1)c1cccnc1 167439990 344305427 /nfs/dbraw/zinc/30/54/27/344305427.db2.gz IMPMNONNLODBAT-NSHDSACASA-N 0 0 191.230 1.809 10 0 ADAERN CC[C@H](O)C1=CCCCO1 167452126 344305440 /nfs/dbraw/zinc/30/54/40/344305440.db2.gz CCIKEDJUWARLOL-ZETCQYMHSA-N 0 0 142.198 1.452 10 0 ADAERN Nc1ccc(Oc2ccccn2)cn1 167433482 344305449 /nfs/dbraw/zinc/30/54/49/344305449.db2.gz VPSNRWXLWNBPMZ-UHFFFAOYSA-N 0 0 187.202 1.851 10 0 ADAERN COc1nccnc1[C@](C)(O)C1CC1 167447011 344305457 /nfs/dbraw/zinc/30/54/57/344305457.db2.gz CMAIKOZRCRHMOV-SNVBAGLBSA-N 0 0 194.234 1.103 10 0 ADAERN COc1nccnc1[C@@](C)(O)C(C)C 167446686 344305464 /nfs/dbraw/zinc/30/54/64/344305464.db2.gz 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167465554 344305947 /nfs/dbraw/zinc/30/59/47/344305947.db2.gz WTBHVONGWCQTMF-VIFPVBQESA-N 0 0 194.234 1.319 10 0 ADAERN C=CC(=O)Oc1ccc(F)cc1 167474654 344306261 /nfs/dbraw/zinc/30/62/61/344306261.db2.gz QVQUMFLLXDVPJN-UHFFFAOYSA-N 0 0 166.151 1.917 10 0 ADAERN CC(C)(C)[C@H](NN)c1cccnc1N 167476619 344306375 /nfs/dbraw/zinc/30/63/75/344306375.db2.gz USPMKFXKJHGJRO-MRVPVSSYSA-N 0 0 194.282 1.214 10 0 ADAERN CC(C)(C)[C@@H](NN)c1cccnc1N 167476738 344306377 /nfs/dbraw/zinc/30/63/77/344306377.db2.gz USPMKFXKJHGJRO-QMMMGPOBSA-N 0 0 194.282 1.214 10 0 ADAERN Cc1ccc([C@H](NN)C(C)(C)C)cn1 167485489 344306428 /nfs/dbraw/zinc/30/64/28/344306428.db2.gz FPVKFDQPTXZUQG-JTQLQIEISA-N 0 0 193.294 1.941 10 0 ADAERN Cc1ccc([C@@H](NN)C(C)(C)C)cn1 167485586 344306434 /nfs/dbraw/zinc/30/64/34/344306434.db2.gz FPVKFDQPTXZUQG-SNVBAGLBSA-N 0 0 193.294 1.941 10 0 ADAERN COC(=O)c1cccn2nccc12 167475353 344306454 /nfs/dbraw/zinc/30/64/54/344306454.db2.gz KBZRUHZYILYXFD-UHFFFAOYSA-N 0 0 176.175 1.121 10 0 ADAERN CCOC(=O)/C=C/[C@H](C)[C@@H](O)CC 167475955 344306486 /nfs/dbraw/zinc/30/64/86/344306486.db2.gz ICYAIMRJILIUJV-YKAJXJTPSA-N 0 0 186.251 1.513 10 0 ADAERN CNCc1ncn(C2CCCC2)n1 167476138 344306514 /nfs/dbraw/zinc/30/65/14/344306514.db2.gz YZXBGBBMRKSAGW-UHFFFAOYSA-N 0 0 180.255 1.113 10 0 ADAERN CC(C)Oc1ncc(CO)s1 167486833 344306528 /nfs/dbraw/zinc/30/65/28/344306528.db2.gz WLCRQBHZZVULDP-UHFFFAOYSA-N 0 0 173.237 1.423 10 0 ADAERN CNCc1ncn(C2CCCCC2)n1 167482255 344306542 /nfs/dbraw/zinc/30/65/42/344306542.db2.gz JWLQMBOHKRUMPO-UHFFFAOYSA-N 0 0 194.282 1.503 10 0 ADAERN COc1nccnc1[C@H](O)C1(C)CC1 167499395 344306648 /nfs/dbraw/zinc/30/66/48/344306648.db2.gz QSYPCMRYEUHMFU-QMMMGPOBSA-N 0 0 194.234 1.319 10 0 ADAERN Cc1ccc2c(c1)C[C@H](O)CC2 167494697 344306653 /nfs/dbraw/zinc/30/66/53/344306653.db2.gz NJBBPZLNKGAUAG-LLVKDONJSA-N 0 0 162.232 1.845 10 0 ADAERN C[C@@H]1OC(=O)N[C@@H]1c1ccccc1F 167496509 344306682 /nfs/dbraw/zinc/30/66/82/344306682.db2.gz GMCDHZLNLLFULI-RCOVLWMOSA-N 0 0 195.193 1.995 10 0 ADAERN COc1nccnc1C(=O)C1(C)CC1 167487482 344306828 /nfs/dbraw/zinc/30/68/28/344306828.db2.gz KXYOZHZXDLEDCZ-UHFFFAOYSA-N 0 0 192.218 1.468 10 0 ADAERN CC(C)(C)[C@@H](NN)C1CCC1 167507288 344306848 /nfs/dbraw/zinc/30/68/48/344306848.db2.gz VMKGOWLEKXBRNO-QMMMGPOBSA-N 0 0 156.273 1.665 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](O)CC2 167494810 344306868 /nfs/dbraw/zinc/30/68/68/344306868.db2.gz NJBBPZLNKGAUAG-NSHDSACASA-N 0 0 162.232 1.845 10 0 ADAERN CC(C)(C)[C@H](NN)C1CCC1 167507181 344306873 /nfs/dbraw/zinc/30/68/73/344306873.db2.gz VMKGOWLEKXBRNO-MRVPVSSYSA-N 0 0 156.273 1.665 10 0 ADAERN O[C@@H](C1=CCCCO1)c1cncs1 167488391 344306928 /nfs/dbraw/zinc/30/69/28/344306928.db2.gz MXHJIGMOOBQFKM-VIFPVBQESA-N 0 0 197.259 1.871 10 0 ADAERN O[C@H](C1=CCCCO1)c1cncs1 167488284 344306931 /nfs/dbraw/zinc/30/69/31/344306931.db2.gz MXHJIGMOOBQFKM-SECBINFHSA-N 0 0 197.259 1.871 10 0 ADAERN COc1nccnc1[C@@H](O)C1(C)CC1 167499303 344306984 /nfs/dbraw/zinc/30/69/84/344306984.db2.gz QSYPCMRYEUHMFU-MRVPVSSYSA-N 0 0 194.234 1.319 10 0 ADAERN C[C@H]1OC(=O)N[C@H]1c1ccccc1F 167496826 344307008 /nfs/dbraw/zinc/30/70/08/344307008.db2.gz GMCDHZLNLLFULI-HZGVNTEJSA-N 0 0 195.193 1.995 10 0 ADAERN CC(C)(C)[C@H](NN)c1ccoc1 167506948 344307011 /nfs/dbraw/zinc/30/70/11/344307011.db2.gz QZFOUIIMERNLOU-MRVPVSSYSA-N 0 0 168.240 1.830 10 0 ADAERN C=C[C@@H](O)c1ccc(N)cc1 167520936 344307162 /nfs/dbraw/zinc/30/71/62/344307162.db2.gz MPDDKUSCBBAAPT-SECBINFHSA-N 0 0 149.193 1.488 10 0 ADAERN C=C[C@H](O)c1ccc(N)cc1 167520833 344307154 /nfs/dbraw/zinc/30/71/54/344307154.db2.gz MPDDKUSCBBAAPT-VIFPVBQESA-N 0 0 149.193 1.488 10 0 ADAERN CC(C)=C[C@H](NN)C(C)(C)C 167515980 344307164 /nfs/dbraw/zinc/30/71/64/344307164.db2.gz RXNJXXGBIMJIPM-QMMMGPOBSA-N 0 0 156.273 1.831 10 0 ADAERN NN[C@H](c1cnccn1)C1CCCC1 167534003 344307196 /nfs/dbraw/zinc/30/71/96/344307196.db2.gz QWDVNBYHVFXIIX-JTQLQIEISA-N 0 0 192.266 1.171 10 0 ADAERN NN[C@@H](c1cnccn1)C1CCCC1 167533897 344307252 /nfs/dbraw/zinc/30/72/52/344307252.db2.gz QWDVNBYHVFXIIX-SNVBAGLBSA-N 0 0 192.266 1.171 10 0 ADAERN COc1cccc([C@H](C)O)c1N 167515243 344307257 /nfs/dbraw/zinc/30/72/57/344307257.db2.gz OEYPOQVWOQKHQI-LURJTMIESA-N 0 0 167.208 1.331 10 0 ADAERN COc1cccc([C@@H](C)O)c1N 167515126 344307287 /nfs/dbraw/zinc/30/72/87/344307287.db2.gz OEYPOQVWOQKHQI-ZCFIWIBFSA-N 0 0 167.208 1.331 10 0 ADAERN Nc1cc(F)cc2c1C[C@H](O)CC2 167531040 344307299 /nfs/dbraw/zinc/30/72/99/344307299.db2.gz IQPKUUJYYZHESK-MRVPVSSYSA-N 0 0 181.210 1.258 10 0 ADAERN FC(F)Oc1cc[nH]n1 167521468 344307401 /nfs/dbraw/zinc/30/74/01/344307401.db2.gz BPFRMDQYDJVNTL-UHFFFAOYSA-N 0 0 134.085 1.011 10 0 ADAERN Cc1cnccc1C(=O)C1CC1 167534196 344307418 /nfs/dbraw/zinc/30/74/18/344307418.db2.gz HWBVCMZZFJRTSC-UHFFFAOYSA-N 0 0 161.204 1.983 10 0 ADAERN Nc1cc(F)cc2c1C[C@@H](O)CC2 167530929 344307422 /nfs/dbraw/zinc/30/74/22/344307422.db2.gz IQPKUUJYYZHESK-QMMMGPOBSA-N 0 0 181.210 1.258 10 0 ADAERN CC(C)=C[C@@H](NN)C(C)(C)C 167516093 344307442 /nfs/dbraw/zinc/30/74/42/344307442.db2.gz RXNJXXGBIMJIPM-MRVPVSSYSA-N 0 0 156.273 1.831 10 0 ADAERN C[C@H]1CCN[C@@H](C(=O)OC2CCC2)C1 167547298 344307708 /nfs/dbraw/zinc/30/77/08/344307708.db2.gz CYMBIEGSYJQELU-WCBMZHEXSA-N 0 0 197.278 1.470 10 0 ADAERN COc1nccnc1[C@@H]1CCC[C@@H]1O 167551187 344307767 /nfs/dbraw/zinc/30/77/67/344307767.db2.gz OVHKVXVCTXZNLB-SFYZADRCSA-N 0 0 194.234 1.114 10 0 ADAERN C[C@H]1CCN[C@H](C(=O)OC2CCC2)C1 167547078 344307770 /nfs/dbraw/zinc/30/77/70/344307770.db2.gz CYMBIEGSYJQELU-WPRPVWTQSA-N 0 0 197.278 1.470 10 0 ADAERN COc1nccnc1[C@@H]1CCC[C@H]1O 167551408 344307787 /nfs/dbraw/zinc/30/77/87/344307787.db2.gz OVHKVXVCTXZNLB-HTQZYQBOSA-N 0 0 194.234 1.114 10 0 ADAERN COc1nccnc1[C@H]1CCC[C@H]1O 167551512 344307841 /nfs/dbraw/zinc/30/78/41/344307841.db2.gz OVHKVXVCTXZNLB-JGVFFNPUSA-N 0 0 194.234 1.114 10 0 ADAERN C[C@@H]1CCN[C@H](C(=O)OC2CCC2)C1 167546972 344307846 /nfs/dbraw/zinc/30/78/46/344307846.db2.gz CYMBIEGSYJQELU-SCZZXKLOSA-N 0 0 197.278 1.470 10 0 ADAERN c1ccc2[nH]c(N3CCC3)nc2c1 167542297 344307862 /nfs/dbraw/zinc/30/78/62/344307862.db2.gz LDHCACQIPNQGQT-UHFFFAOYSA-N 0 0 173.219 1.773 10 0 ADAERN C[C@@H]1CCN[C@@H](C(=O)OC2CCC2)C1 167547187 344307881 /nfs/dbraw/zinc/30/78/81/344307881.db2.gz CYMBIEGSYJQELU-PSASIEDQSA-N 0 0 197.278 1.470 10 0 ADAERN COc1nccnc1[C@H]1CCC[C@@H]1O 167551298 344307917 /nfs/dbraw/zinc/30/79/17/344307917.db2.gz OVHKVXVCTXZNLB-YUMQZZPRSA-N 0 0 194.234 1.114 10 0 ADAERN COc1nccnc1[C@H]1CCCC1=O 167552657 344308154 /nfs/dbraw/zinc/30/81/54/344308154.db2.gz ZOHQBZHOLLMWHC-ZETCQYMHSA-N 0 0 192.218 1.322 10 0 ADAERN COc1nccnc1[C@@H]1CCC(=O)C1 167565086 344308157 /nfs/dbraw/zinc/30/81/57/344308157.db2.gz LNRREXOYJIMKBW-SSDOTTSWSA-N 0 0 192.218 1.322 10 0 ADAERN COc1nccnc1[C@H]1CCC(=O)C1 167565201 344308189 /nfs/dbraw/zinc/30/81/89/344308189.db2.gz LNRREXOYJIMKBW-ZETCQYMHSA-N 0 0 192.218 1.322 10 0 ADAERN CCN1C(=O)[C@@H]2C[C@@H](C)CCN2C1=O 167571827 344308198 /nfs/dbraw/zinc/30/81/98/344308198.db2.gz WNIMJCWDSBKHLD-YUMQZZPRSA-N 0 0 196.250 1.069 10 0 ADAERN CC[C@H](NC(C)=O)C(C)(C)C 167553298 344308212 /nfs/dbraw/zinc/30/82/12/344308212.db2.gz RYWBHOZFAFVIKO-QMMMGPOBSA-N 0 0 157.257 1.947 10 0 ADAERN CC[C@@H](NC(C)=O)C(C)(C)C 167553407 344308225 /nfs/dbraw/zinc/30/82/25/344308225.db2.gz RYWBHOZFAFVIKO-MRVPVSSYSA-N 0 0 157.257 1.947 10 0 ADAERN CCN1C(=O)[C@@H]2C[C@H](C)CCN2C1=O 167571603 344308252 /nfs/dbraw/zinc/30/82/52/344308252.db2.gz WNIMJCWDSBKHLD-SFYZADRCSA-N 0 0 196.250 1.069 10 0 ADAERN Cc1ccc(N2CCNC2=O)cc1F 167563911 344308307 /nfs/dbraw/zinc/30/83/07/344308307.db2.gz INHOPYOLBGTCPP-UHFFFAOYSA-N 0 0 194.209 1.664 10 0 ADAERN COc1nccnc1[C@@H]1CCCC1=O 167552551 344308317 /nfs/dbraw/zinc/30/83/17/344308317.db2.gz ZOHQBZHOLLMWHC-SSDOTTSWSA-N 0 0 192.218 1.322 10 0 ADAERN N[C@@H](C1=CCCCO1)c1ccco1 167566634 344308386 /nfs/dbraw/zinc/30/83/86/344308386.db2.gz UVVSOZMYISFATF-JTQLQIEISA-N 0 0 179.219 1.974 10 0 ADAERN N[C@H](C1=CCCCO1)c1ccco1 167566526 344308428 /nfs/dbraw/zinc/30/84/28/344308428.db2.gz UVVSOZMYISFATF-SNVBAGLBSA-N 0 0 179.219 1.974 10 0 ADAERN COc1nccnc1[C@@H]1CC[C@@H](O)C1 167579382 344308553 /nfs/dbraw/zinc/30/85/53/344308553.db2.gz WHCFCNQCTRKCJX-HTQZYQBOSA-N 0 0 194.234 1.114 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] 167588561 344308566 /nfs/dbraw/zinc/30/85/66/344308566.db2.gz OGXPMZGZSMOQAH-BDAKNGLRSA-N 0 0 185.267 1.580 10 0 ADAERN COc1nccnc1C1=C[C@H](O)CC1 167583241 344308655 /nfs/dbraw/zinc/30/86/55/344308655.db2.gz GQEYWVWNZKWGPW-MRVPVSSYSA-N 0 0 192.218 1.023 10 0 ADAERN NN[C@H](c1ncccn1)C1CCCC1 167593069 344308669 /nfs/dbraw/zinc/30/86/69/344308669.db2.gz ZNMCBCRNGZTYKJ-VIFPVBQESA-N 0 0 192.266 1.171 10 0 ADAERN COc1nccnc1C1=C[C@@H](O)CC1 167583347 344308677 /nfs/dbraw/zinc/30/86/77/344308677.db2.gz GQEYWVWNZKWGPW-QMMMGPOBSA-N 0 0 192.218 1.023 10 0 ADAERN COc1nccnc1[C@@H]1CC[C@H](O)C1 167579143 344308684 /nfs/dbraw/zinc/30/86/84/344308684.db2.gz WHCFCNQCTRKCJX-SFYZADRCSA-N 0 0 194.234 1.114 10 0 ADAERN CC[C@H](C)[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] 167591107 344308718 /nfs/dbraw/zinc/30/87/18/344308718.db2.gz ZLESTSAGYXNZRY-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN CO[C@@H](C)Cn1cccc1 167587405 344308794 /nfs/dbraw/zinc/30/87/94/344308794.db2.gz PCKKGHZVNZRCBR-QMMMGPOBSA-N 0 0 139.198 1.523 10 0 ADAERN CO[C@H](C)Cc1cnc(N)s1 167592663 344308822 /nfs/dbraw/zinc/30/88/22/344308822.db2.gz VGJBYBPVQBZQTN-RXMQYKEDSA-N 0 0 172.253 1.303 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] 167588675 344308837 /nfs/dbraw/zinc/30/88/37/344308837.db2.gz OGXPMZGZSMOQAH-IUCAKERBSA-N 0 0 185.267 1.580 10 0 ADAERN CO[C@@H](C)Cc1cnc(N)s1 167592565 344308852 /nfs/dbraw/zinc/30/88/52/344308852.db2.gz VGJBYBPVQBZQTN-YFKPBYRVSA-N 0 0 172.253 1.303 10 0 ADAERN N#CNCCCCCCCNC#N 167588917 344308869 /nfs/dbraw/zinc/30/88/69/344308869.db2.gz ULDADFYYQVABQT-UHFFFAOYSA-N 0 0 180.255 1.078 10 0 ADAERN NN[C@@H](c1ncccn1)C1CCCC1 167592948 344308872 /nfs/dbraw/zinc/30/88/72/344308872.db2.gz ZNMCBCRNGZTYKJ-SECBINFHSA-N 0 0 192.266 1.171 10 0 ADAERN CO[C@H](C)Cn1cccc1 167587506 344308927 /nfs/dbraw/zinc/30/89/27/344308927.db2.gz PCKKGHZVNZRCBR-MRVPVSSYSA-N 0 0 139.198 1.523 10 0 ADAERN COc1nccnc1[C@H]1CC[C@@H](O)C1 167579483 344308962 /nfs/dbraw/zinc/30/89/62/344308962.db2.gz WHCFCNQCTRKCJX-JGVFFNPUSA-N 0 0 194.234 1.114 10 0 ADAERN C[C@@H](O)C(=O)C1CCCCCC1 167608073 344309145 /nfs/dbraw/zinc/30/91/45/344309145.db2.gz MMSNWAHGMDNRQP-MRVPVSSYSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@H]1C[C@H](O)C(=O)c2ccccc21 167606435 344309292 /nfs/dbraw/zinc/30/92/92/344309292.db2.gz KTQORUVDGQBZCH-XVKPBYJWSA-N 0 0 176.215 1.737 10 0 ADAERN C[C@H](O)C(=O)C1CCCCCC1 167608184 344309407 /nfs/dbraw/zinc/30/94/07/344309407.db2.gz MMSNWAHGMDNRQP-QMMMGPOBSA-N 0 0 170.252 1.907 10 0 ADAERN COc1ccc(F)c(OC)c1C=O 167610812 344309420 /nfs/dbraw/zinc/30/94/20/344309420.db2.gz QZDKVDNXTNWVEU-UHFFFAOYSA-N 0 0 184.166 1.655 10 0 ADAERN C[C@@H]1C[C@H](O)C(=O)c2ccccc21 167606347 344309428 /nfs/dbraw/zinc/30/94/28/344309428.db2.gz KTQORUVDGQBZCH-XCBNKYQSSA-N 0 0 176.215 1.737 10 0 ADAERN CC(C)(C)c1c(N)nn2cccnc12 167614195 344309443 /nfs/dbraw/zinc/30/94/43/344309443.db2.gz KSHDOILDCAYJQL-UHFFFAOYSA-N 0 0 190.250 1.609 10 0 ADAERN CN[C@@H](C1=CCCCO1)c1ncc[nH]1 167624807 344309569 /nfs/dbraw/zinc/30/95/69/344309569.db2.gz WVXGWCUUIHOHDA-VIFPVBQESA-N 0 0 193.250 1.365 10 0 ADAERN N[C@@H](C1=CCCCO1)c1ncc[nH]1 167624584 344309613 /nfs/dbraw/zinc/30/96/13/344309613.db2.gz PVEBYYKMRUBNJJ-QMMMGPOBSA-N 0 0 179.223 1.104 10 0 ADAERN N[C@H](C1=CCCCO1)c1cscn1 167628073 344309641 /nfs/dbraw/zinc/30/96/41/344309641.db2.gz QTHGHIJSQREWED-VIFPVBQESA-N 0 0 196.275 1.837 10 0 ADAERN N[C@H](C1=CCCCO1)c1ncc[nH]1 167624480 344309797 /nfs/dbraw/zinc/30/97/97/344309797.db2.gz PVEBYYKMRUBNJJ-MRVPVSSYSA-N 0 0 179.223 1.104 10 0 ADAERN N[C@@H](C1=CCCCO1)c1cscn1 167628188 344309871 /nfs/dbraw/zinc/30/98/71/344309871.db2.gz QTHGHIJSQREWED-SECBINFHSA-N 0 0 196.275 1.837 10 0 ADAERN N[C@@H](C1=CCCCO1)c1cncs1 167626395 344309925 /nfs/dbraw/zinc/30/99/25/344309925.db2.gz ABHUYRLPOAYPDE-VIFPVBQESA-N 0 0 196.275 1.837 10 0 ADAERN N[C@H](C1=CCCCO1)c1cncs1 167626283 344309928 /nfs/dbraw/zinc/30/99/28/344309928.db2.gz ABHUYRLPOAYPDE-SECBINFHSA-N 0 0 196.275 1.837 10 0 ADAERN CN[C@H](C1=CCCCO1)c1ncc[nH]1 167624694 344309935 /nfs/dbraw/zinc/30/99/35/344309935.db2.gz WVXGWCUUIHOHDA-SECBINFHSA-N 0 0 193.250 1.365 10 0 ADAERN Cc1c(N)nc2ccccn12 167631970 344310146 /nfs/dbraw/zinc/31/01/46/344310146.db2.gz KCOOGIVBYSWTHD-UHFFFAOYSA-N 0 0 147.181 1.225 10 0 ADAERN FC(F)n1ccc(Cl)n1 167651301 344310240 /nfs/dbraw/zinc/31/02/40/344310240.db2.gz PHGCRNASHZHYAS-UHFFFAOYSA-N 0 0 152.531 1.932 10 0 ADAERN CC(=O)CC[C@H]1CC[C@@H](C)O1 167655285 344310546 /nfs/dbraw/zinc/31/05/46/344310546.db2.gz BDEGNXINPSPUBJ-BDAKNGLRSA-N 0 0 156.225 1.923 10 0 ADAERN CC(=O)CC[C@@H]1CC[C@H](C)O1 167655583 344310629 /nfs/dbraw/zinc/31/06/29/344310629.db2.gz BDEGNXINPSPUBJ-DTWKUNHWSA-N 0 0 156.225 1.923 10 0 ADAERN CC(C)(C)CN1CC(F)C1 167662171 344310651 /nfs/dbraw/zinc/31/06/51/344310651.db2.gz BDVAWUOGDMHXTK-UHFFFAOYSA-N 0 0 145.221 1.686 10 0 ADAERN CC(=O)CC[C@H]1CC[C@H](C)O1 167655394 344310669 /nfs/dbraw/zinc/31/06/69/344310669.db2.gz BDEGNXINPSPUBJ-IUCAKERBSA-N 0 0 156.225 1.923 10 0 ADAERN CC(=O)CC[C@@H]1CC[C@@H](C)O1 167655486 344310735 /nfs/dbraw/zinc/31/07/35/344310735.db2.gz BDEGNXINPSPUBJ-RKDXNWHRSA-N 0 0 156.225 1.923 10 0 ADAERN Cc1cc(C)nc(NC(N)=O)c1 167660862 344310751 /nfs/dbraw/zinc/31/07/51/344310751.db2.gz DTSJGRAIQFHBKC-UHFFFAOYSA-N 0 0 165.196 1.189 10 0 ADAERN CCc1cc(O)c(OC)c(OC)c1 167677013 344311046 /nfs/dbraw/zinc/31/10/46/344311046.db2.gz JRPVXRHDYAQKIX-UHFFFAOYSA-N 0 0 182.219 1.972 10 0 ADAERN Cn1nccc1[C@H](NN)C1CCCC1 167677052 344311185 /nfs/dbraw/zinc/31/11/85/344311185.db2.gz ZJJIKRRZWQHSIA-SNVBAGLBSA-N 0 0 194.282 1.115 10 0 ADAERN Cn1nccc1[C@@H](NN)C1CCCC1 167677160 344311189 /nfs/dbraw/zinc/31/11/89/344311189.db2.gz ZJJIKRRZWQHSIA-JTQLQIEISA-N 0 0 194.282 1.115 10 0 ADAERN CO[C@@H](C)C[C@@H](C)CO 167686930 344311401 /nfs/dbraw/zinc/31/14/01/344311401.db2.gz ZFQGUPYRNLYXQR-RQJHMYQMSA-N 0 0 132.203 1.040 10 0 ADAERN NN[C@@H](C1CCCC1)[C@@H]1CCOC1 167684944 344311515 /nfs/dbraw/zinc/31/15/15/344311515.db2.gz PFFHMMDVUMPYKM-ZJUUUORDSA-N 0 0 184.283 1.045 10 0 ADAERN CC(C)(C)C1CC(C(N)=O)C1 167685070 344311532 /nfs/dbraw/zinc/31/15/32/344311532.db2.gz CBOBXEXWJCFEHE-UHFFFAOYSA-N 0 0 155.241 1.544 10 0 ADAERN NN[C@H](C1CCCC1)[C@H]1CCOC1 167685258 344311606 /nfs/dbraw/zinc/31/16/06/344311606.db2.gz PFFHMMDVUMPYKM-VHSXEESVSA-N 0 0 184.283 1.045 10 0 ADAERN CO[C@H](C)C[C@@H](C)CO 167686725 344311654 /nfs/dbraw/zinc/31/16/54/344311654.db2.gz ZFQGUPYRNLYXQR-RNFRBKRXSA-N 0 0 132.203 1.040 10 0 ADAERN NN[C@H](C1CCCC1)[C@@H]1CCOC1 167685044 344311673 /nfs/dbraw/zinc/31/16/73/344311673.db2.gz PFFHMMDVUMPYKM-NXEZZACHSA-N 0 0 184.283 1.045 10 0 ADAERN NN[C@H](c1cncnc1)C1CCCC1 167685933 344311680 /nfs/dbraw/zinc/31/16/80/344311680.db2.gz HDYDPLBZLSLIDQ-JTQLQIEISA-N 0 0 192.266 1.171 10 0 ADAERN CO[C@H](C)C[C@H](C)CO 167686616 344311685 /nfs/dbraw/zinc/31/16/85/344311685.db2.gz ZFQGUPYRNLYXQR-NKWVEPMBSA-N 0 0 132.203 1.040 10 0 ADAERN OCc1ccc(OC(F)F)nc1 167700121 344312140 /nfs/dbraw/zinc/31/21/40/344312140.db2.gz YZZNTAXNTQWXQP-UHFFFAOYSA-N 0 0 175.134 1.175 10 0 ADAERN CC(=O)c1cnc(C(C)C)cn1 167702772 344312254 /nfs/dbraw/zinc/31/22/54/344312254.db2.gz PNZXGJQJARETMF-UHFFFAOYSA-N 0 0 164.208 1.803 10 0 ADAERN CC(C)C(=O)[C@@H]1OCC[C@@H]1C 167717638 344312323 /nfs/dbraw/zinc/31/23/23/344312323.db2.gz LEWVQELHHBRBIR-IONNQARKSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)C(=O)[C@H]1OCC[C@H]1C 167717297 344312419 /nfs/dbraw/zinc/31/24/19/344312419.db2.gz LEWVQELHHBRBIR-APPZFPTMSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)C(=O)[C@H]1OCC[C@@H]1C 167717417 344312482 /nfs/dbraw/zinc/31/24/82/344312482.db2.gz LEWVQELHHBRBIR-CBAPKCEASA-N 0 0 156.225 1.637 10 0 ADAERN Cn1nccc1C1CCC(=O)CC1 167713432 344312517 /nfs/dbraw/zinc/31/25/17/344312517.db2.gz JQCHWWSZLOXNBQ-UHFFFAOYSA-N 0 0 178.235 1.647 10 0 ADAERN CC(C)C(=O)[C@H]1CO[C@H](C)C1 167717968 344312533 /nfs/dbraw/zinc/31/25/33/344312533.db2.gz GVQLURMFPFOWEV-HTQZYQBOSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)C(=O)[C@@H]1OCC[C@H]1C 167717534 344312559 /nfs/dbraw/zinc/31/25/59/344312559.db2.gz LEWVQELHHBRBIR-VXNVDRBHSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)C(=O)[C@@H]1CO[C@@H](C)C1 167717860 344312615 /nfs/dbraw/zinc/31/26/15/344312615.db2.gz GVQLURMFPFOWEV-YUMQZZPRSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)C(=O)[C@@H]1CO[C@H](C)C1 167717753 344312643 /nfs/dbraw/zinc/31/26/43/344312643.db2.gz GVQLURMFPFOWEV-SFYZADRCSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)C(=O)[C@H]1CO[C@@H](C)C1 167718071 344312660 /nfs/dbraw/zinc/31/26/60/344312660.db2.gz GVQLURMFPFOWEV-JGVFFNPUSA-N 0 0 156.225 1.637 10 0 ADAERN Nc1cnn(C2CCCC2)c1N 167727535 344312817 /nfs/dbraw/zinc/31/28/17/344312817.db2.gz GNHVNJABCFFGHJ-UHFFFAOYSA-N 0 0 166.228 1.163 10 0 ADAERN CC(C)C(=O)[C@@H]1CCCCO1 167724053 344312821 /nfs/dbraw/zinc/31/28/21/344312821.db2.gz NGFAAPYFHOLAIT-QMMMGPOBSA-N 0 0 156.225 1.781 10 0 ADAERN CCC(=O)[C@@H]1OCC[C@H]1C 167728114 344312824 /nfs/dbraw/zinc/31/28/24/344312824.db2.gz ATCVRPHAIANDDT-HTRCEHHLSA-N 0 0 142.198 1.391 10 0 ADAERN Nc1cnn(CC2CCCCC2)c1N 167727926 344312828 /nfs/dbraw/zinc/31/28/28/344312828.db2.gz ZQDZCRAEFBSISK-UHFFFAOYSA-N 0 0 194.282 1.628 10 0 ADAERN CN[C@H](C(F)F)[C@H]1CCCO1 167719769 344312843 /nfs/dbraw/zinc/31/28/43/344312843.db2.gz UUUKSUBKEVVUFQ-RITPCOANSA-N 0 0 165.183 1.019 10 0 ADAERN Nc1cnn(C2CCCCC2)c1N 167726747 344312856 /nfs/dbraw/zinc/31/28/56/344312856.db2.gz PZJUAWDASMNSDY-UHFFFAOYSA-N 0 0 180.255 1.553 10 0 ADAERN CCC(=O)[C@H]1CC[C@@H](C)O1 167730615 344312882 /nfs/dbraw/zinc/31/28/82/344312882.db2.gz KQDJFMUFPQUBDT-HTRCEHHLSA-N 0 0 142.198 1.533 10 0 ADAERN CC(C)C(=O)[C@H]1CC[C@@H](C)O1 167725522 344312895 /nfs/dbraw/zinc/31/28/95/344312895.db2.gz JXRVPBSMRMQKMZ-HTQZYQBOSA-N 0 0 156.225 1.779 10 0 ADAERN CN[C@@H](C(F)F)[C@@H]1CCCO1 167719656 344312917 /nfs/dbraw/zinc/31/29/17/344312917.db2.gz UUUKSUBKEVVUFQ-NTSWFWBYSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@H](C1CC1)n1ncc(N)c1N 167727427 344312921 /nfs/dbraw/zinc/31/29/21/344312921.db2.gz CNLXILDMQCWGKC-RXMQYKEDSA-N 0 0 166.228 1.019 10 0 ADAERN NN[C@H](C1CCCC1)C1CCC1 167730954 344312933 /nfs/dbraw/zinc/31/29/33/344312933.db2.gz PWJDOUDBHINVPJ-SNVBAGLBSA-N 0 0 168.284 1.809 10 0 ADAERN CCC(=O)[C@@H]1OCC[C@@H]1C 167728334 344312942 /nfs/dbraw/zinc/31/29/42/344312942.db2.gz ATCVRPHAIANDDT-POYBYMJQSA-N 0 0 142.198 1.391 10 0 ADAERN NN[C@@H](C1CCCC1)C1CCC1 167730841 344312949 /nfs/dbraw/zinc/31/29/49/344312949.db2.gz PWJDOUDBHINVPJ-JTQLQIEISA-N 0 0 168.284 1.809 10 0 ADAERN Cc1ccc(N2CCNC2=O)cc1C 167723999 344312957 /nfs/dbraw/zinc/31/29/57/344312957.db2.gz FKBHPRUIPVCGLG-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN CCC(=O)[C@H]1OCC[C@H]1C 167727996 344312968 /nfs/dbraw/zinc/31/29/68/344312968.db2.gz ATCVRPHAIANDDT-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN CC(C)C(=O)[C@H]1CC[C@H](C)O1 167725638 344312975 /nfs/dbraw/zinc/31/29/75/344312975.db2.gz JXRVPBSMRMQKMZ-JGVFFNPUSA-N 0 0 156.225 1.779 10 0 ADAERN CN[C@H](C(F)F)[C@@H]1CCCO1 167719555 344312977 /nfs/dbraw/zinc/31/29/77/344312977.db2.gz UUUKSUBKEVVUFQ-WDSKDSINSA-N 0 0 165.183 1.019 10 0 ADAERN NN[C@H](c1ccoc1)C1CCCC1 167730718 344313001 /nfs/dbraw/zinc/31/30/01/344313001.db2.gz UHFUBKCBQZGRPD-JTQLQIEISA-N 0 0 180.251 1.974 10 0 ADAERN CC(C)C(=O)[C@H]1CCCCO1 167724154 344313003 /nfs/dbraw/zinc/31/30/03/344313003.db2.gz NGFAAPYFHOLAIT-MRVPVSSYSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@@H](C1CC1)n1ncc(N)c1N 167727322 344313006 /nfs/dbraw/zinc/31/30/06/344313006.db2.gz CNLXILDMQCWGKC-YFKPBYRVSA-N 0 0 166.228 1.019 10 0 ADAERN NN[C@@H](c1ccoc1)C1CCCC1 167730614 344313032 /nfs/dbraw/zinc/31/30/32/344313032.db2.gz UHFUBKCBQZGRPD-SNVBAGLBSA-N 0 0 180.251 1.974 10 0 ADAERN CNc1nc(C)c2c(n1)CCCC2 167734190 344313036 /nfs/dbraw/zinc/31/30/36/344313036.db2.gz QYBNGXZPPLCFSN-UHFFFAOYSA-N 0 0 177.251 1.706 10 0 ADAERN CCC(=O)[C@H]1CC[C@H](C)O1 167730402 344313074 /nfs/dbraw/zinc/31/30/74/344313074.db2.gz KQDJFMUFPQUBDT-POYBYMJQSA-N 0 0 142.198 1.533 10 0 ADAERN CCC(=O)[C@@H]1CC[C@@H](C)O1 167730503 344313082 /nfs/dbraw/zinc/31/30/82/344313082.db2.gz KQDJFMUFPQUBDT-SVRRBLITSA-N 0 0 142.198 1.533 10 0 ADAERN CCC(=O)[C@@H]1CC[C@H](C)O1 167730289 344313103 /nfs/dbraw/zinc/31/31/03/344313103.db2.gz KQDJFMUFPQUBDT-XPUUQOCRSA-N 0 0 142.198 1.533 10 0 ADAERN CN[C@@H](C(F)F)[C@H]1CCCO1 167719879 344313110 /nfs/dbraw/zinc/31/31/10/344313110.db2.gz UUUKSUBKEVVUFQ-PHDIDXHHSA-N 0 0 165.183 1.019 10 0 ADAERN CC(C)C(=O)[C@@H]1CC[C@@H](C)O1 167725742 344313122 /nfs/dbraw/zinc/31/31/22/344313122.db2.gz JXRVPBSMRMQKMZ-SFYZADRCSA-N 0 0 156.225 1.779 10 0 ADAERN CCCC(=O)[C@@H]1CO[C@@H](C)C1 167740758 344313297 /nfs/dbraw/zinc/31/32/97/344313297.db2.gz SWLPUJDDNXANBR-YUMQZZPRSA-N 0 0 156.225 1.781 10 0 ADAERN CCCC(=O)[C@@H]1CCCCO1 167744491 344313372 /nfs/dbraw/zinc/31/33/72/344313372.db2.gz CNWVTQBNERSOOG-VIFPVBQESA-N 0 0 156.225 1.925 10 0 ADAERN CCCC(=O)[C@H]1CO[C@H](C)C1 167740860 344313445 /nfs/dbraw/zinc/31/34/45/344313445.db2.gz SWLPUJDDNXANBR-HTQZYQBOSA-N 0 0 156.225 1.781 10 0 ADAERN N[C@@H](C1=CCCCO1)c1cnns1 167747895 344313458 /nfs/dbraw/zinc/31/34/58/344313458.db2.gz XIUSQDHQPSVVMR-QMMMGPOBSA-N 0 0 197.263 1.232 10 0 ADAERN CCCC(=O)[C@H]1CO[C@@H](C)C1 167740645 344313507 /nfs/dbraw/zinc/31/35/07/344313507.db2.gz SWLPUJDDNXANBR-JGVFFNPUSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)(C)[C@H]1CC=CC(=O)O1 167742108 344313526 /nfs/dbraw/zinc/31/35/26/344313526.db2.gz NFNAYWKRSZMFRJ-SSDOTTSWSA-N 0 0 154.209 1.904 10 0 ADAERN Nc1ccnc(Br)c1O 167747557 344313562 /nfs/dbraw/zinc/31/35/62/344313562.db2.gz HPQFFWLPUAAAGR-UHFFFAOYSA-N 0 0 189.012 1.132 10 0 ADAERN N[C@H](C1=CCCCO1)c1cnns1 167747789 344313590 /nfs/dbraw/zinc/31/35/90/344313590.db2.gz XIUSQDHQPSVVMR-MRVPVSSYSA-N 0 0 197.263 1.232 10 0 ADAERN CCCC(=O)[C@H]1CCCCO1 167744610 344313650 /nfs/dbraw/zinc/31/36/50/344313650.db2.gz CNWVTQBNERSOOG-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN N[C@@H](C1=CCCCO1)c1csnn1 167748132 344313653 /nfs/dbraw/zinc/31/36/53/344313653.db2.gz PYVNYONJXBZQEY-MRVPVSSYSA-N 0 0 197.263 1.232 10 0 ADAERN N[C@H](C1=CCCCO1)c1csnn1 167748013 344313664 /nfs/dbraw/zinc/31/36/64/344313664.db2.gz PYVNYONJXBZQEY-QMMMGPOBSA-N 0 0 197.263 1.232 10 0 ADAERN CCCC(=O)[C@@H]1CO[C@H](C)C1 167740967 344313686 /nfs/dbraw/zinc/31/36/86/344313686.db2.gz SWLPUJDDNXANBR-SFYZADRCSA-N 0 0 156.225 1.781 10 0 ADAERN [NH3+][C@@H](C1=CCCCO1)[C@H]1CCCCO1 167755948 344313781 /nfs/dbraw/zinc/31/37/81/344313781.db2.gz VORLARWEUZROEI-MNOVXSKESA-N 0 0 197.278 1.577 10 0 ADAERN Cc1cc(C(=O)CN)cs1 167763524 344313889 /nfs/dbraw/zinc/31/38/89/344313889.db2.gz XBPGIDPGWQZNDI-UHFFFAOYSA-N 0 0 155.222 1.198 10 0 ADAERN CC[C@@H]1CC[N@H+](C)[C@H](C(=O)[O-])C1 167762219 344313947 /nfs/dbraw/zinc/31/39/47/344313947.db2.gz XHZMYHJYZWIQNX-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN COc1ccc2c(c1)OCCCN2 167771637 344313955 /nfs/dbraw/zinc/31/39/55/344313955.db2.gz VLTHIKLAQYQBKT-UHFFFAOYSA-N 0 0 179.219 1.890 10 0 ADAERN CC[C@H]1CC[N@H+](C)[C@H](C(=O)[O-])C1 167762330 344313965 /nfs/dbraw/zinc/31/39/65/344313965.db2.gz XHZMYHJYZWIQNX-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CNS(=O)(=O)c1c(C)cccc1C 167770054 344314148 /nfs/dbraw/zinc/31/41/48/344314148.db2.gz VNBILVCYICYFOQ-UHFFFAOYSA-N 0 0 199.275 1.212 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1cccnc1 167801880 344314343 /nfs/dbraw/zinc/31/43/43/344314343.db2.gz WWVHKLLBBXHXAT-KWQFWETISA-N 0 0 191.230 1.689 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1cccnc1 167801760 344314347 /nfs/dbraw/zinc/31/43/47/344314347.db2.gz WWVHKLLBBXHXAT-KCJUWKMLSA-N 0 0 191.230 1.689 10 0 ADAERN CCNc1cc2[nH]c(=O)oc2cc1N 167794081 344314403 /nfs/dbraw/zinc/31/44/03/344314403.db2.gz XHCCRCUUMGZOFI-UHFFFAOYSA-N 0 0 193.206 1.135 10 0 ADAERN CC[C@@H]1CC[NH2+][C@@H](c2nnc[nH]2)C1 167809812 344314414 /nfs/dbraw/zinc/31/44/14/344314414.db2.gz GADMMQQEDINNEQ-HTQZYQBOSA-N 0 0 180.255 1.255 10 0 ADAERN NOCc1ccc(Cl)nc1 167805621 344314596 /nfs/dbraw/zinc/31/45/96/344314596.db2.gz RYVUHCMINMRPKN-UHFFFAOYSA-N 0 0 158.588 1.125 10 0 ADAERN N[C@@H](C1=CCCCO1)C(F)(F)F 167806642 344314435 /nfs/dbraw/zinc/31/44/35/344314435.db2.gz BKOANDZKIYSSOD-LURJTMIESA-N 0 0 181.157 1.570 10 0 ADAERN O=C([O-])C1C[NH+]([C@H]2C=CCCC2)C1 167804460 344314440 /nfs/dbraw/zinc/31/44/40/344314440.db2.gz FSVALXJKXPYVDK-VIFPVBQESA-N 0 0 181.235 1.112 10 0 ADAERN CCC/C(=C\N(C)C)C(=O)OCC 167784569 344314451 /nfs/dbraw/zinc/31/44/51/344314451.db2.gz JXFSMNMTMJRABZ-CMDGGOBGSA-N 0 0 185.267 1.795 10 0 ADAERN O=C([O-])C1C[NH+]([C@@H]2C=CCCC2)C1 167804558 344314466 /nfs/dbraw/zinc/31/44/66/344314466.db2.gz FSVALXJKXPYVDK-SECBINFHSA-N 0 0 181.235 1.112 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2cccnc2)O1 167807621 344314477 /nfs/dbraw/zinc/31/44/77/344314477.db2.gz HCFGBUBLRKLNGI-PSASIEDQSA-N 0 0 191.230 1.832 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2cccnc2)O1 167807973 344314495 /nfs/dbraw/zinc/31/44/95/344314495.db2.gz HCFGBUBLRKLNGI-WPRPVWTQSA-N 0 0 191.230 1.832 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1cccnc1 167802019 344314497 /nfs/dbraw/zinc/31/44/97/344314497.db2.gz WWVHKLLBBXHXAT-GZMMTYOYSA-N 0 0 191.230 1.689 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1cccnc1 167801970 344314514 /nfs/dbraw/zinc/31/45/14/344314514.db2.gz WWVHKLLBBXHXAT-LDYMZIIASA-N 0 0 191.230 1.689 10 0 ADAERN N[C@H](C1=CCCCO1)C(F)(F)F 167806727 344314520 /nfs/dbraw/zinc/31/45/20/344314520.db2.gz BKOANDZKIYSSOD-ZCFIWIBFSA-N 0 0 181.157 1.570 10 0 ADAERN CC[C@H]1CC[NH2+][C@H](c2nnc[nH]2)C1 167809710 344314537 /nfs/dbraw/zinc/31/45/37/344314537.db2.gz GADMMQQEDINNEQ-YUMQZZPRSA-N 0 0 180.255 1.255 10 0 ADAERN CC[C@@H]1CC[NH2+][C@H](c2nnc[nH]2)C1 167809607 344314565 /nfs/dbraw/zinc/31/45/65/344314565.db2.gz GADMMQQEDINNEQ-SFYZADRCSA-N 0 0 180.255 1.255 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2cccnc2)O1 167807846 344314572 /nfs/dbraw/zinc/31/45/72/344314572.db2.gz HCFGBUBLRKLNGI-SCZZXKLOSA-N 0 0 191.230 1.832 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2cccnc2)O1 167807739 344314574 /nfs/dbraw/zinc/31/45/74/344314574.db2.gz HCFGBUBLRKLNGI-WCBMZHEXSA-N 0 0 191.230 1.832 10 0 ADAERN N[C@@H](C1=CCCCO1)c1cnsn1 167811517 344314855 /nfs/dbraw/zinc/31/48/55/344314855.db2.gz JYCFPJSJQQCZAA-MRVPVSSYSA-N 0 0 197.263 1.232 10 0 ADAERN CCOc1cc2[nH]c(=O)oc2cc1N 167812319 344314881 /nfs/dbraw/zinc/31/48/81/344314881.db2.gz SKFQTGZZSWQBBK-UHFFFAOYSA-N 0 0 194.190 1.102 10 0 ADAERN N[C@H](C1=CCCCO1)c1cnsn1 167811415 344314884 /nfs/dbraw/zinc/31/48/84/344314884.db2.gz JYCFPJSJQQCZAA-QMMMGPOBSA-N 0 0 197.263 1.232 10 0 ADAERN OCCS[C@H]1C=CCCC1 167817626 344314978 /nfs/dbraw/zinc/31/49/78/344314978.db2.gz GCWQNEULSLLDKO-QMMMGPOBSA-N 0 0 158.266 1.821 10 0 ADAERN OCCS[C@@H]1C=CCCC1 167817733 344315005 /nfs/dbraw/zinc/31/50/05/344315005.db2.gz GCWQNEULSLLDKO-MRVPVSSYSA-N 0 0 158.266 1.821 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)C1=CCCCO1 167834741 344315322 /nfs/dbraw/zinc/31/53/22/344315322.db2.gz 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/nfs/dbraw/zinc/32/07/34/344320734.db2.gz DSOGPPMEIYDKSR-OIBJUYFYSA-N 0 0 178.235 1.220 10 0 ADAERN CON[C@H]1c2ccccc2OC[C@H]1C 168100467 344320760 /nfs/dbraw/zinc/32/07/60/344320760.db2.gz PVGAHGQHDJPZSN-LDYMZIIASA-N 0 0 193.246 1.907 10 0 ADAERN CON[C@H]1c2ccccc2OC[C@@H]1C 168100564 344320816 /nfs/dbraw/zinc/32/08/16/344320816.db2.gz PVGAHGQHDJPZSN-GZMMTYOYSA-N 0 0 193.246 1.907 10 0 ADAERN CON[C@@H]1c2ccccc2OC[C@@H]1C 168100758 344320819 /nfs/dbraw/zinc/32/08/19/344320819.db2.gz PVGAHGQHDJPZSN-KWQFWETISA-N 0 0 193.246 1.907 10 0 ADAERN CON[C@@H]1c2ccccc2OC[C@H]1C 168100658 344320826 /nfs/dbraw/zinc/32/08/26/344320826.db2.gz PVGAHGQHDJPZSN-KCJUWKMLSA-N 0 0 193.246 1.907 10 0 ADAERN C[C@@H]1COc2ccccc2[C@@H]1NN 168103572 344320853 /nfs/dbraw/zinc/32/08/53/344320853.db2.gz DSOGPPMEIYDKSR-GMSGAONNSA-N 0 0 178.235 1.220 10 0 ADAERN O[C@@H]1Cc2ccc(Cl)cc2C1 168101834 344320888 /nfs/dbraw/zinc/32/08/88/344320888.db2.gz GJASWIDTSFDSIH-SECBINFHSA-N 0 0 168.623 1.800 10 0 ADAERN C[C@H]1COc2ccccc2[C@H]1NN 168103871 344320897 /nfs/dbraw/zinc/32/08/97/344320897.db2.gz DSOGPPMEIYDKSR-XVKPBYJWSA-N 0 0 178.235 1.220 10 0 ADAERN COc1cc2c(cc1CO)O[C@H](C)C2 168124447 344321036 /nfs/dbraw/zinc/32/10/36/344321036.db2.gz RQJONJLDPGABBI-SSDOTTSWSA-N 0 0 194.230 1.511 10 0 ADAERN Fc1cnc(-n2cccn2)c(F)c1 168113496 344321103 /nfs/dbraw/zinc/32/11/03/344321103.db2.gz YJSCIFZEKNWPKD-UHFFFAOYSA-N 0 0 181.145 1.546 10 0 ADAERN COc1cc2c(cc1CO)O[C@@H](C)C2 168124542 344321116 /nfs/dbraw/zinc/32/11/16/344321116.db2.gz RQJONJLDPGABBI-ZETCQYMHSA-N 0 0 194.230 1.511 10 0 ADAERN N[C@H](C1=CCCO1)c1ccccn1 168125293 344321133 /nfs/dbraw/zinc/32/11/33/344321133.db2.gz XVISOQKROWISQP-JTQLQIEISA-N 0 0 176.219 1.386 10 0 ADAERN C[C@@H]1CC[N@@H+]1CC1(C(=O)[O-])CCCC1 168126478 344321153 /nfs/dbraw/zinc/32/11/53/344321153.db2.gz GIPIFKJKNGOPEK-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN Fc1cnc(-n2ccnc2)c(F)c1 168113613 344321160 /nfs/dbraw/zinc/32/11/60/344321160.db2.gz ZMGXOVBZQNHYRI-UHFFFAOYSA-N 0 0 181.145 1.546 10 0 ADAERN C[C@H]1CC[N@@H+]1CC1(C(=O)[O-])CCCC1 168126579 344321172 /nfs/dbraw/zinc/32/11/72/344321172.db2.gz GIPIFKJKNGOPEK-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN N[C@@H](C1=CCCO1)c1ccccn1 168125398 344321197 /nfs/dbraw/zinc/32/11/97/344321197.db2.gz XVISOQKROWISQP-SNVBAGLBSA-N 0 0 176.219 1.386 10 0 ADAERN CC1(c2nnc(N)s2)CCC1 168108470 344321223 /nfs/dbraw/zinc/32/12/23/344321223.db2.gz CIWXGTIKMOOBQB-UHFFFAOYSA-N 0 0 169.253 1.562 10 0 ADAERN O=C([O-])C1(C[NH+]2CC=CC2)CCCC1 168125427 344321272 /nfs/dbraw/zinc/32/12/72/344321272.db2.gz DANMZRPXMQOHGM-UHFFFAOYSA-N 0 0 195.262 1.503 10 0 ADAERN CC1C[NH+](CC2(C(=O)[O-])CCCC2)C1 168126706 344321309 /nfs/dbraw/zinc/32/13/09/344321309.db2.gz ZKILFDKWYVZFDS-UHFFFAOYSA-N 0 0 197.278 1.583 10 0 ADAERN C[N@@H+]1CCC(=O)C(C)(C)C1(C)C 168114869 344321344 /nfs/dbraw/zinc/32/13/44/344321344.db2.gz INYJSXUIERWKRX-UHFFFAOYSA-N 0 0 169.268 1.696 10 0 ADAERN O=Cc1ccc2c(c1)C(=O)NCCC2 168145858 344321563 /nfs/dbraw/zinc/32/15/63/344321563.db2.gz PZWBSNBCWKRCBH-UHFFFAOYSA-N 0 0 189.214 1.175 10 0 ADAERN C[C@@H]1COc2ccccc2[C@@H]1CO 168132208 344321584 /nfs/dbraw/zinc/32/15/84/344321584.db2.gz YOCLOFKMWVOIPM-PSASIEDQSA-N 0 0 178.231 1.791 10 0 ADAERN C[C@@H]1COc2ccccc2[C@H]1CO 168132403 344321708 /nfs/dbraw/zinc/32/17/08/344321708.db2.gz YOCLOFKMWVOIPM-SCZZXKLOSA-N 0 0 178.231 1.791 10 0 ADAERN C[C@H]1COc2ccccc2[C@@H]1CO 168132311 344321728 /nfs/dbraw/zinc/32/17/28/344321728.db2.gz YOCLOFKMWVOIPM-WCBMZHEXSA-N 0 0 178.231 1.791 10 0 ADAERN COC(=O)c1cc(C=O)cc(C)c1O 168141801 344321749 /nfs/dbraw/zinc/32/17/49/344321749.db2.gz XUMDSYZMMKKQBD-UHFFFAOYSA-N 0 0 194.186 1.300 10 0 ADAERN CN[C@@H](C1=CCCO1)c1ncccn1 168146067 344321758 /nfs/dbraw/zinc/32/17/58/344321758.db2.gz FXIFJFNEHKDJLG-VIFPVBQESA-N 0 0 191.234 1.041 10 0 ADAERN C[C@H]1COc2ccccc2[C@H]1CO 168132497 344321791 /nfs/dbraw/zinc/32/17/91/344321791.db2.gz YOCLOFKMWVOIPM-WPRPVWTQSA-N 0 0 178.231 1.791 10 0 ADAERN CN[C@H](C1=CCCO1)c1ncccn1 168145967 344321794 /nfs/dbraw/zinc/32/17/94/344321794.db2.gz FXIFJFNEHKDJLG-SECBINFHSA-N 0 0 191.234 1.041 10 0 ADAERN OCc1cnc(C2CC2)nc1C1CC1 168151025 344322015 /nfs/dbraw/zinc/32/20/15/344322015.db2.gz UAOAUJYYRSZXJX-UHFFFAOYSA-N 0 0 190.246 1.724 10 0 ADAERN Cc1nn(-c2ccccc2)cc1CO 168158680 344322289 /nfs/dbraw/zinc/32/22/89/344322289.db2.gz VQGDJTMRYLXMJZ-UHFFFAOYSA-N 0 0 188.230 1.673 10 0 ADAERN CC(C)n1nccc1NC#N 168157082 344322342 /nfs/dbraw/zinc/32/23/42/344322342.db2.gz DYQXGCYTJVSFRB-UHFFFAOYSA-N 0 0 150.185 1.357 10 0 ADAERN C[C@@H]1Cc2ccccc2N1C#N 168157990 344322355 /nfs/dbraw/zinc/32/23/55/344322355.db2.gz CULRNTOBKYNMFP-MRVPVSSYSA-N 0 0 158.204 1.919 10 0 ADAERN O=C1CC[NH2+]C[C@@H]1CC1CCCC1 168155864 344322363 /nfs/dbraw/zinc/32/23/63/344322363.db2.gz PZHBRBPWTMWYAI-JTQLQIEISA-N 0 0 181.279 1.745 10 0 ADAERN CN(C#N)CCc1ccccn1 168160873 344322423 /nfs/dbraw/zinc/32/24/23/344322423.db2.gz VFLMNOUFHWTMTP-UHFFFAOYSA-N 0 0 161.208 1.037 10 0 ADAERN N#CNc1ccc(Br)cn1 168161996 344322479 /nfs/dbraw/zinc/32/24/79/344322479.db2.gz ZMAXKSOKJHFBQY-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN N[C@H](C1=CCCO1)c1ccco1 168164251 344322485 /nfs/dbraw/zinc/32/24/85/344322485.db2.gz KMGKOGGPWZPSGB-VIFPVBQESA-N 0 0 165.192 1.584 10 0 ADAERN CC[C@H]1CCCN(C#N)C1 168167799 344322541 /nfs/dbraw/zinc/32/25/41/344322541.db2.gz FBARUNOYWGTNDF-QMMMGPOBSA-N 0 0 138.214 1.589 10 0 ADAERN CN(C#N)Cc1ccsc1 168165314 344322580 /nfs/dbraw/zinc/32/25/80/344322580.db2.gz HNCPKDAFLNBOKY-UHFFFAOYSA-N 0 0 152.222 1.661 10 0 ADAERN CC[C@@H](C)N(C)C#N 168163250 344322699 /nfs/dbraw/zinc/32/26/99/344322699.db2.gz LMWDVCKFRTXXNT-ZCFIWIBFSA-N 0 0 112.176 1.198 10 0 ADAERN CCCN(C#N)C(C)C 168162905 344322713 /nfs/dbraw/zinc/32/27/13/344322713.db2.gz GAGQFKCHDIVMQV-UHFFFAOYSA-N 0 0 126.203 1.588 10 0 ADAERN COC(=O)c1sccc1NC#N 168162525 344322718 /nfs/dbraw/zinc/32/27/18/344322718.db2.gz QCWPSNQPHCKESJ-UHFFFAOYSA-N 0 0 182.204 1.428 10 0 ADAERN CC[C@H](C)N(C)C#N 168163349 344322721 /nfs/dbraw/zinc/32/27/21/344322721.db2.gz LMWDVCKFRTXXNT-LURJTMIESA-N 0 0 112.176 1.198 10 0 ADAERN CC[C@@H]1CCCN(C#N)C1 168167727 344322763 /nfs/dbraw/zinc/32/27/63/344322763.db2.gz FBARUNOYWGTNDF-MRVPVSSYSA-N 0 0 138.214 1.589 10 0 ADAERN N[C@@H](C1=CCCO1)c1ccco1 168164355 344322819 /nfs/dbraw/zinc/32/28/19/344322819.db2.gz KMGKOGGPWZPSGB-SECBINFHSA-N 0 0 165.192 1.584 10 0 ADAERN N#CNc1ccc(CCO)cc1 168171713 344322942 /nfs/dbraw/zinc/32/29/42/344322942.db2.gz MGNLWWVKAIQXMO-UHFFFAOYSA-N 0 0 162.192 1.114 10 0 ADAERN COc1ccccc1CN(C)C#N 168173510 344322947 /nfs/dbraw/zinc/32/29/47/344322947.db2.gz CQLVDXDCHJCZSL-UHFFFAOYSA-N 0 0 176.219 1.608 10 0 ADAERN O=C1c2ccccc2CCC[C@H]1O 168173562 344322976 /nfs/dbraw/zinc/32/29/76/344322976.db2.gz ZCWSSJGUVYBQCA-SNVBAGLBSA-N 0 0 176.215 1.567 10 0 ADAERN Cc1ccc(C(=O)CO)cc1F 168175573 344323019 /nfs/dbraw/zinc/32/30/19/344323019.db2.gz XJEHNFZSZXKKRS-UHFFFAOYSA-N 0 0 168.167 1.309 10 0 ADAERN C[C@@H]1CCC[C@H](N(C)C#N)C1 168177389 344323051 /nfs/dbraw/zinc/32/30/51/344323051.db2.gz FJQDHSLHBGDBSH-BDAKNGLRSA-N 0 0 152.241 1.978 10 0 ADAERN C[C@H]1CCC[C@@H](N(C)C#N)C1 168177703 344323073 /nfs/dbraw/zinc/32/30/73/344323073.db2.gz FJQDHSLHBGDBSH-DTWKUNHWSA-N 0 0 152.241 1.978 10 0 ADAERN CC1(C)CCC(=O)[C@@H](O)C1 168174692 344323093 /nfs/dbraw/zinc/32/30/93/344323093.db2.gz XVOOKHZNHYXOOT-ZETCQYMHSA-N 0 0 142.198 1.127 10 0 ADAERN C[C@@H]1CCC[C@@H](N(C)C#N)C1 168177630 344323095 /nfs/dbraw/zinc/32/30/95/344323095.db2.gz FJQDHSLHBGDBSH-RKDXNWHRSA-N 0 0 152.241 1.978 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H](O)O1 168177734 344323117 /nfs/dbraw/zinc/32/31/17/344323117.db2.gz NYXLQTGDRPKUNG-QYNIQEEDSA-N 0 0 130.187 1.140 10 0 ADAERN CC(C)CCN(C)C#N 168174788 344323128 /nfs/dbraw/zinc/32/31/28/344323128.db2.gz YFJBPWKFTUQWLR-UHFFFAOYSA-N 0 0 126.203 1.445 10 0 ADAERN C[C@H]1CCC[C@H](N(C)C#N)C1 168177492 344323156 /nfs/dbraw/zinc/32/31/56/344323156.db2.gz FJQDHSLHBGDBSH-IUCAKERBSA-N 0 0 152.241 1.978 10 0 ADAERN CN(C#N)CC1CCCCC1 168177287 344323177 /nfs/dbraw/zinc/32/31/77/344323177.db2.gz VSIDADQYKMEYFR-UHFFFAOYSA-N 0 0 152.241 1.980 10 0 ADAERN Cc1cc(F)c(C(=O)CO)cc1F 168175460 344323248 /nfs/dbraw/zinc/32/32/48/344323248.db2.gz KAEIQFOSYLWAKE-UHFFFAOYSA-N 0 0 186.157 1.448 10 0 ADAERN O=C(CO)c1ccc(F)cc1Cl 168174456 344323256 /nfs/dbraw/zinc/32/32/56/344323256.db2.gz OWKARDHIZSFFBW-UHFFFAOYSA-N 0 0 188.585 1.654 10 0 ADAERN CN(C#N)Cc1ccccc1F 168172385 344323260 /nfs/dbraw/zinc/32/32/60/344323260.db2.gz CFTYHMYKZSUTJU-UHFFFAOYSA-N 0 0 164.183 1.739 10 0 ADAERN COc1ccc(CN(C)C#N)cc1 168173287 344323280 /nfs/dbraw/zinc/32/32/80/344323280.db2.gz QQWIDRZPIIFFKI-UHFFFAOYSA-N 0 0 176.219 1.608 10 0 ADAERN CN(C#N)CCc1ccncc1 168170519 344323294 /nfs/dbraw/zinc/32/32/94/344323294.db2.gz WNRBRLXJIBZYIN-UHFFFAOYSA-N 0 0 161.208 1.037 10 0 ADAERN C[C@H]1CC[C@@H](C)O[C@@H]1O 168177912 344323304 /nfs/dbraw/zinc/32/33/04/344323304.db2.gz NYXLQTGDRPKUNG-XVMARJQXSA-N 0 0 130.187 1.140 10 0 ADAERN CC1(C)CCC(=O)[C@H](O)C1 168174580 344323322 /nfs/dbraw/zinc/32/33/22/344323322.db2.gz XVOOKHZNHYXOOT-SSDOTTSWSA-N 0 0 142.198 1.127 10 0 ADAERN CC(C)CN(C#N)C(C)C 168186573 344323445 /nfs/dbraw/zinc/32/34/45/344323445.db2.gz NIOOFJZPZSCPQL-UHFFFAOYSA-N 0 0 140.230 1.834 10 0 ADAERN N#CN(Cc1ccco1)C1CC1 168188692 344323449 /nfs/dbraw/zinc/32/34/49/344323449.db2.gz ZETUDVSBPOBPNK-UHFFFAOYSA-N 0 0 162.192 1.725 10 0 ADAERN N#CN=c1[nH]c2c(s1)CCCC2 168180181 344323450 /nfs/dbraw/zinc/32/34/50/344323450.db2.gz CQZLWXQWKHIGSU-UHFFFAOYSA-N 0 0 179.248 1.915 10 0 ADAERN CC(C)CN(C#N)C1CC1 168186023 344323485 /nfs/dbraw/zinc/32/34/85/344323485.db2.gz WWJVBQZAVUPIBA-UHFFFAOYSA-N 0 0 138.214 1.588 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)c1ccoc1 168185786 344323504 /nfs/dbraw/zinc/32/35/04/344323504.db2.gz NFXABXCAPDNWLI-VXNVDRBHSA-N 0 0 180.203 1.887 10 0 ADAERN CC(C)N(C#N)CC1CC1 168186691 344323508 /nfs/dbraw/zinc/32/35/08/344323508.db2.gz XSKQRWHZWBPWBW-UHFFFAOYSA-N 0 0 138.214 1.588 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)c1ccoc1 168186097 344323531 /nfs/dbraw/zinc/32/35/31/344323531.db2.gz NFXABXCAPDNWLI-CBAPKCEASA-N 0 0 180.203 1.887 10 0 ADAERN N#CN=c1[nH]c2c(s1)CCC2 168179949 344323542 /nfs/dbraw/zinc/32/35/42/344323542.db2.gz PEILPOYJIKGOML-UHFFFAOYSA-N 0 0 165.221 1.525 10 0 ADAERN OCc1ccnc(F)c1Cl 168182926 344323554 /nfs/dbraw/zinc/32/35/54/344323554.db2.gz BPIXTTKOSNOAJB-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN CCc1[nH]c(=NC#N)sc1C 168179287 344323563 /nfs/dbraw/zinc/32/35/63/344323563.db2.gz NMVJOQOCPZZLOI-UHFFFAOYSA-N 0 0 167.237 1.907 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2ccoc2)CO1 168179434 344323568 /nfs/dbraw/zinc/32/35/68/344323568.db2.gz HFTZMLLSDDGUKR-IONNQARKSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1ccoc1 168178936 344323574 /nfs/dbraw/zinc/32/35/74/344323574.db2.gz KCHYDQORDQTQTJ-XVKPBYJWSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)c1ccoc1 168185885 344323594 /nfs/dbraw/zinc/32/35/94/344323594.db2.gz NFXABXCAPDNWLI-IONNQARKSA-N 0 0 180.203 1.887 10 0 ADAERN CCCO[C@H]1CCCN(C#N)C1 168183147 344323617 /nfs/dbraw/zinc/32/36/17/344323617.db2.gz RSBQVHGASRMSOB-VIFPVBQESA-N 0 0 168.240 1.358 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2ccoc2)CO1 168179199 344323619 /nfs/dbraw/zinc/32/36/19/344323619.db2.gz HFTZMLLSDDGUKR-APPZFPTMSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1ccoc1 168179011 344323625 /nfs/dbraw/zinc/32/36/25/344323625.db2.gz KCHYDQORDQTQTJ-GMSGAONNSA-N 0 0 180.203 1.887 10 0 ADAERN N#CN=c1[nH]c(C2CC2)cs1 168179620 344323628 /nfs/dbraw/zinc/32/36/28/344323628.db2.gz PWSMFWUJMXPZKH-UHFFFAOYSA-N 0 0 165.221 1.913 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1ccoc1 168179091 344323632 /nfs/dbraw/zinc/32/36/32/344323632.db2.gz KCHYDQORDQTQTJ-OIBJUYFYSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2ccoc2)CO1 168179282 344323647 /nfs/dbraw/zinc/32/36/47/344323647.db2.gz HFTZMLLSDDGUKR-CBAPKCEASA-N 0 0 180.203 1.887 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)c1ccoc1 168185988 344323657 /nfs/dbraw/zinc/32/36/57/344323657.db2.gz NFXABXCAPDNWLI-APPZFPTMSA-N 0 0 180.203 1.887 10 0 ADAERN CCCO[C@@H]1CCCN(C#N)C1 168183074 344323673 /nfs/dbraw/zinc/32/36/73/344323673.db2.gz RSBQVHGASRMSOB-SECBINFHSA-N 0 0 168.240 1.358 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2ccoc2)CO1 168179352 344323681 /nfs/dbraw/zinc/32/36/81/344323681.db2.gz HFTZMLLSDDGUKR-VXNVDRBHSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1ccoc1 168178861 344323698 /nfs/dbraw/zinc/32/36/98/344323698.db2.gz KCHYDQORDQTQTJ-XCBNKYQSSA-N 0 0 180.203 1.887 10 0 ADAERN C[C@H]1[C@H](C)CCCN1C#N 168195996 344323967 /nfs/dbraw/zinc/32/39/67/344323967.db2.gz BPJMKLAZFXYMKZ-SFYZADRCSA-N 0 0 138.214 1.588 10 0 ADAERN CN(C#N)CC(C)(C)C 168193331 344323972 /nfs/dbraw/zinc/32/39/72/344323972.db2.gz KHHNGQAYCOTGOP-UHFFFAOYSA-N 0 0 126.203 1.445 10 0 ADAERN COc1ccccc1N(C)C#N 168194280 344323988 /nfs/dbraw/zinc/32/39/88/344323988.db2.gz CAFUKHZOMCKQND-UHFFFAOYSA-N 0 0 162.192 1.612 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)C1CCOCC1 168190628 344324000 /nfs/dbraw/zinc/32/40/00/344324000.db2.gz OYEKPFYXMCRKPD-GZMMTYOYSA-N 0 0 198.262 1.407 10 0 ADAERN CCCC1CCN(C#N)CC1 168196429 344324013 /nfs/dbraw/zinc/32/40/13/344324013.db2.gz AAZKQQJLRBCKON-UHFFFAOYSA-N 0 0 152.241 1.980 10 0 ADAERN CCNc1ccc(C(C)=O)c(N)c1 168190888 344324036 /nfs/dbraw/zinc/32/40/36/344324036.db2.gz ZXJZOIQNPADVME-UHFFFAOYSA-N 0 0 178.235 1.903 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)C1CCOCC1 168190375 344324047 /nfs/dbraw/zinc/32/40/47/344324047.db2.gz OYEKPFYXMCRKPD-KCJUWKMLSA-N 0 0 198.262 1.407 10 0 ADAERN CNc1ccc(C(C)=O)c(N)c1 168190663 344324049 /nfs/dbraw/zinc/32/40/49/344324049.db2.gz HTRYQDABYFBYFC-UHFFFAOYSA-N 0 0 164.208 1.513 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)C1CCOCC1 168190455 344324073 /nfs/dbraw/zinc/32/40/73/344324073.db2.gz OYEKPFYXMCRKPD-KWQFWETISA-N 0 0 198.262 1.407 10 0 ADAERN C[C@@H]1CCCN(C#N)[C@@H]1C 168195791 344324079 /nfs/dbraw/zinc/32/40/79/344324079.db2.gz BPJMKLAZFXYMKZ-HTQZYQBOSA-N 0 0 138.214 1.588 10 0 ADAERN Cc1nc(CN(C)C#N)cs1 168192637 344324081 /nfs/dbraw/zinc/32/40/81/344324081.db2.gz BFVZSEWXNSMOKD-UHFFFAOYSA-N 0 0 167.237 1.364 10 0 ADAERN O=c1[nH]c2ccc(CO)cc2s1 168197875 344324111 /nfs/dbraw/zinc/32/41/11/344324111.db2.gz YEEYSDWXOYJVPW-UHFFFAOYSA-N 0 0 181.216 1.082 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)C1CCOCC1 168190543 344324115 /nfs/dbraw/zinc/32/41/15/344324115.db2.gz OYEKPFYXMCRKPD-LDYMZIIASA-N 0 0 198.262 1.407 10 0 ADAERN CN(C#N)Cc1cscn1 168191088 344324120 /nfs/dbraw/zinc/32/41/20/344324120.db2.gz DLJXYJOJFNJFFI-UHFFFAOYSA-N 0 0 153.210 1.056 10 0 ADAERN N#CN1CC[C@H](c2ccccc2)C1 168196309 344324156 /nfs/dbraw/zinc/32/41/56/344324156.db2.gz LJFVFJZEMVTYII-NSHDSACASA-N 0 0 172.231 1.957 10 0 ADAERN C[NH2+]CC(=O)c1csc(C)c1 168189157 344324165 /nfs/dbraw/zinc/32/41/65/344324165.db2.gz UIGKVPHPMXWRFM-UHFFFAOYSA-N 0 0 169.249 1.459 10 0 ADAERN CC(C)N(C#N)CC(F)(F)F 168190967 344324177 /nfs/dbraw/zinc/32/41/77/344324177.db2.gz ZMRIVTFKXHLCNP-UHFFFAOYSA-N 0 0 166.146 1.740 10 0 ADAERN C[C@H]1CCCN(C#N)[C@H]1C 168196091 344324187 /nfs/dbraw/zinc/32/41/87/344324187.db2.gz BPJMKLAZFXYMKZ-YUMQZZPRSA-N 0 0 138.214 1.588 10 0 ADAERN N#CN1CC[C@@H](c2ccccc2)C1 168196192 344324191 /nfs/dbraw/zinc/32/41/91/344324191.db2.gz LJFVFJZEMVTYII-LLVKDONJSA-N 0 0 172.231 1.957 10 0 ADAERN CC(C)[C@@H](C)C(=O)[C@H]1CCOC1 168204740 344324392 /nfs/dbraw/zinc/32/43/92/344324392.db2.gz REARWRGCMBKZSX-BDAKNGLRSA-N 0 0 170.252 1.884 10 0 ADAERN CC(C)[C@H](C)C(=O)[C@@H]1CCOC1 168204655 344324402 /nfs/dbraw/zinc/32/44/02/344324402.db2.gz REARWRGCMBKZSX-DTWKUNHWSA-N 0 0 170.252 1.884 10 0 ADAERN Cc1csc(CCNC#N)n1 168204021 344324406 /nfs/dbraw/zinc/32/44/06/344324406.db2.gz SLEVEFLIYGVNCB-UHFFFAOYSA-N 0 0 167.237 1.065 10 0 ADAERN CC(C)[C@H](C)C(=O)[C@H]1CCOC1 168204823 344324428 /nfs/dbraw/zinc/32/44/28/344324428.db2.gz REARWRGCMBKZSX-IUCAKERBSA-N 0 0 170.252 1.884 10 0 ADAERN N#CN1CCCc2ccccc2C1 168201874 344324494 /nfs/dbraw/zinc/32/44/94/344324494.db2.gz VTJVNEDLNUJFCR-UHFFFAOYSA-N 0 0 172.231 1.916 10 0 ADAERN CC(=O)c1ccc(NN(C)C)cc1N 168200409 344324573 /nfs/dbraw/zinc/32/45/73/344324573.db2.gz AVGOILFXRJMLFY-UHFFFAOYSA-N 0 0 193.250 1.360 10 0 ADAERN CC(C)[C@@H](C)C(=O)[C@@H]1CCOC1 168204562 344324590 /nfs/dbraw/zinc/32/45/90/344324590.db2.gz REARWRGCMBKZSX-RKDXNWHRSA-N 0 0 170.252 1.884 10 0 ADAERN Cc1ncsc1CNC#N 168204417 344324609 /nfs/dbraw/zinc/32/46/09/344324609.db2.gz JZQHSTACROADBH-UHFFFAOYSA-N 0 0 153.210 1.022 10 0 ADAERN CCOc1ccc(C(C)=O)c(N)c1 168202333 344324611 /nfs/dbraw/zinc/32/46/11/344324611.db2.gz NHELHTNKEZRDIV-UHFFFAOYSA-N 0 0 179.219 1.870 10 0 ADAERN CCC1(C)CCN(C#N)CC1 168201990 344324621 /nfs/dbraw/zinc/32/46/21/344324621.db2.gz FNALVMITMJNQQW-UHFFFAOYSA-N 0 0 152.241 1.980 10 0 ADAERN C[C@H]1CCCCCN1C#N 168210362 344324772 /nfs/dbraw/zinc/32/47/72/344324772.db2.gz SCZMEWXLLPVIQC-QMMMGPOBSA-N 0 0 138.214 1.732 10 0 ADAERN N#CN1CCC[C@H]2CCC[C@@H]21 168213497 344324778 /nfs/dbraw/zinc/32/47/78/344324778.db2.gz MMWRRZUDLIDJLK-BDAKNGLRSA-N 0 0 150.225 1.732 10 0 ADAERN C[C@@H]1CCCCCN1C#N 168210260 344324799 /nfs/dbraw/zinc/32/47/99/344324799.db2.gz SCZMEWXLLPVIQC-MRVPVSSYSA-N 0 0 138.214 1.732 10 0 ADAERN Cc1ncsc1CN(C)C#N 168208509 344324808 /nfs/dbraw/zinc/32/48/08/344324808.db2.gz YLLZCTJHTLYNSM-UHFFFAOYSA-N 0 0 167.237 1.364 10 0 ADAERN N#CNc1ncccc1Br 168214516 344324814 /nfs/dbraw/zinc/32/48/14/344324814.db2.gz OQSYNKVBLQKUOK-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN N#CNc1ccc(F)cn1 168213958 344324840 /nfs/dbraw/zinc/32/48/40/344324840.db2.gz KXRAMASXDLFVFJ-UHFFFAOYSA-N 0 0 137.117 1.114 10 0 ADAERN C[C@H]1CN(C#N)C[C@H](C)S1 168210034 344324868 /nfs/dbraw/zinc/32/48/68/344324868.db2.gz MQIAKEJFRSEGKU-BQBZGAKWSA-N 0 0 156.254 1.293 10 0 ADAERN CC[C@H]1CCCN(C#N)CC1 168210793 344324874 /nfs/dbraw/zinc/32/48/74/344324874.db2.gz XCTHIQDNMVAVID-VIFPVBQESA-N 0 0 152.241 1.980 10 0 ADAERN CN(C#N)CC1CCCC1 168206524 344324890 /nfs/dbraw/zinc/32/48/90/344324890.db2.gz XUFVSBCIXQRVOA-UHFFFAOYSA-N 0 0 138.214 1.589 10 0 ADAERN CC(C)c1nnccc1C[NH3+] 168208396 344324898 /nfs/dbraw/zinc/32/48/98/344324898.db2.gz OWEVUOJBRFKUCX-UHFFFAOYSA-N 0 0 151.213 1.059 10 0 ADAERN N#CN1CCc2ccccc2CC1 168211510 344324905 /nfs/dbraw/zinc/32/49/05/344324905.db2.gz WBNPMJRGHWMTED-UHFFFAOYSA-N 0 0 172.231 1.568 10 0 ADAERN N#CN1CCC[C@H]2CCC[C@H]21 168213304 344324967 /nfs/dbraw/zinc/32/49/67/344324967.db2.gz MMWRRZUDLIDJLK-RKDXNWHRSA-N 0 0 150.225 1.732 10 0 ADAERN C[C@@H]1CCCN(C#N)CC1 168206314 344324982 /nfs/dbraw/zinc/32/49/82/344324982.db2.gz NYEYWNMSSCSJAX-MRVPVSSYSA-N 0 0 138.214 1.589 10 0 ADAERN Cc1cc(C(=O)[C@@H]2CCOC2)co1 168208102 344325000 /nfs/dbraw/zinc/32/50/00/344325000.db2.gz NUSGRMIERXXBKE-MRVPVSSYSA-N 0 0 180.203 1.807 10 0 ADAERN N#CN1CCC[C@@H]2CCC[C@@H]21 168213602 344325004 /nfs/dbraw/zinc/32/50/04/344325004.db2.gz MMWRRZUDLIDJLK-IUCAKERBSA-N 0 0 150.225 1.732 10 0 ADAERN Cc1cc(C(=O)[C@H]2CCOC2)co1 168208213 344325007 /nfs/dbraw/zinc/32/50/07/344325007.db2.gz NUSGRMIERXXBKE-QMMMGPOBSA-N 0 0 180.203 1.807 10 0 ADAERN N#CN1CCC[C@H](C(F)(F)F)C1 168214190 344325010 /nfs/dbraw/zinc/32/50/10/344325010.db2.gz JAWHMMFUUZPRNI-LURJTMIESA-N 0 0 178.157 1.742 10 0 ADAERN N#CN1CCC[C@@H]2CCC[C@H]21 168213406 344325017 /nfs/dbraw/zinc/32/50/17/344325017.db2.gz MMWRRZUDLIDJLK-DTWKUNHWSA-N 0 0 150.225 1.732 10 0 ADAERN C[C@H]1CN(C#N)C[C@@H](C)S1 168209922 344325052 /nfs/dbraw/zinc/32/50/52/344325052.db2.gz MQIAKEJFRSEGKU-KNVOCYPGSA-N 0 0 156.254 1.293 10 0 ADAERN N#CN1CCC[C@@H](C(F)(F)F)C1 168214283 344325097 /nfs/dbraw/zinc/32/50/97/344325097.db2.gz JAWHMMFUUZPRNI-ZCFIWIBFSA-N 0 0 178.157 1.742 10 0 ADAERN N#CNc1cnc(Br)cn1 168214405 344325118 /nfs/dbraw/zinc/32/51/18/344325118.db2.gz YQGKGFAEZGKVDC-UHFFFAOYSA-N 0 0 199.011 1.132 10 0 ADAERN C[C@@H]1CN(C#N)C[C@@H](C)S1 168210143 344325123 /nfs/dbraw/zinc/32/51/23/344325123.db2.gz MQIAKEJFRSEGKU-RNFRBKRXSA-N 0 0 156.254 1.293 10 0 ADAERN CC[C@@H]1CCCN(C#N)CC1 168210693 344325127 /nfs/dbraw/zinc/32/51/27/344325127.db2.gz XCTHIQDNMVAVID-SECBINFHSA-N 0 0 152.241 1.980 10 0 ADAERN C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C#N 168220446 344325231 /nfs/dbraw/zinc/32/52/31/344325231.db2.gz XHPIHDNJOAQXQP-NXEZZACHSA-N 0 0 179.267 1.026 10 0 ADAERN C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C#N 168220534 344325292 /nfs/dbraw/zinc/32/52/92/344325292.db2.gz XHPIHDNJOAQXQP-VHSXEESVSA-N 0 0 179.267 1.026 10 0 ADAERN CCC1(CC)CCN(C#N)C1 168221350 344325346 /nfs/dbraw/zinc/32/53/46/344325346.db2.gz ZZOLGYCSNIMZDK-UHFFFAOYSA-N 0 0 152.241 1.980 10 0 ADAERN CN(C#N)CCc1cccs1 168219431 344325391 /nfs/dbraw/zinc/32/53/91/344325391.db2.gz FAXZFBADDDYCJF-UHFFFAOYSA-N 0 0 166.249 1.703 10 0 ADAERN Cc1cc(NC#N)ccn1 168218233 344325427 /nfs/dbraw/zinc/32/54/27/344325427.db2.gz AFWUEMPXWTXNNM-UHFFFAOYSA-N 0 0 133.154 1.283 10 0 ADAERN Cc1ncccc1NC#N 168217335 344325477 /nfs/dbraw/zinc/32/54/77/344325477.db2.gz OKQRMEFNMYMUCL-UHFFFAOYSA-N 0 0 133.154 1.283 10 0 ADAERN Cc1ccc(NC#N)cn1 168225085 344325592 /nfs/dbraw/zinc/32/55/92/344325592.db2.gz NXNAAVKEPRFKAX-UHFFFAOYSA-N 0 0 133.154 1.283 10 0 ADAERN CCN(C#N)Cc1ccccn1 168222011 344325629 /nfs/dbraw/zinc/32/56/29/344325629.db2.gz IHJLEZVQOMKJAW-UHFFFAOYSA-N 0 0 161.208 1.385 10 0 ADAERN N#CN1C[C@H]2CCC[C@@H]2C1 168227094 344325745 /nfs/dbraw/zinc/32/57/45/344325745.db2.gz ZLVVFRIBIFKKIV-HTQZYQBOSA-N 0 0 136.198 1.199 10 0 ADAERN CSC[C@H](C)N(C)C#N 168232916 344325770 /nfs/dbraw/zinc/32/57/70/344325770.db2.gz FTEAWJZMUAILAZ-LURJTMIESA-N 0 0 144.243 1.151 10 0 ADAERN N#CN1CCCOc2ccccc21 168233093 344325904 /nfs/dbraw/zinc/32/59/04/344325904.db2.gz NXXNSVQRDCYUJM-UHFFFAOYSA-N 0 0 174.203 1.757 10 0 ADAERN N#CN1C[C@@H]2CCC[C@H]2C1 168227007 344325998 /nfs/dbraw/zinc/32/59/98/344325998.db2.gz ZLVVFRIBIFKKIV-YUMQZZPRSA-N 0 0 136.198 1.199 10 0 ADAERN CSC[C@@H](C)N(C)C#N 168232998 344326076 /nfs/dbraw/zinc/32/60/76/344326076.db2.gz FTEAWJZMUAILAZ-ZCFIWIBFSA-N 0 0 144.243 1.151 10 0 ADAERN N#CNc1ccncc1Br 168227205 344326082 /nfs/dbraw/zinc/32/60/82/344326082.db2.gz SWKLRNALTNFGSP-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN CN[C@@H](C1=CCCO1)c1cncs1 168240745 344326201 /nfs/dbraw/zinc/32/62/01/344326201.db2.gz APKYCMJWZGJDDU-VIFPVBQESA-N 0 0 196.275 1.708 10 0 ADAERN [NH3+][C@H](C1=CCCO1)[C@H]1CCCS1 168244186 344326205 /nfs/dbraw/zinc/32/62/05/344326205.db2.gz ZSIVKNFUBHHBMC-RKDXNWHRSA-N 0 0 185.292 1.514 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2ccnn2C)O1 168254493 344326240 /nfs/dbraw/zinc/32/62/40/344326240.db2.gz DQRRBTZXKCWWEU-IONNQARKSA-N 0 0 194.234 1.170 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2ccnn2C)O1 168254389 344326278 /nfs/dbraw/zinc/32/62/78/344326278.db2.gz DQRRBTZXKCWWEU-VXNVDRBHSA-N 0 0 194.234 1.170 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2ccnn2C)O1 168254588 344326398 /nfs/dbraw/zinc/32/63/98/344326398.db2.gz DQRRBTZXKCWWEU-APPZFPTMSA-N 0 0 194.234 1.170 10 0 ADAERN [NH3+][C@H](C1=CCCO1)[C@@H]1CCCCS1 168245767 344326415 /nfs/dbraw/zinc/32/64/15/344326415.db2.gz LNDLEEAYHYXADY-VHSXEESVSA-N 0 0 199.319 1.904 10 0 ADAERN CC(C)[C@H](C)C(N)=S 168255198 344326447 /nfs/dbraw/zinc/32/64/47/344326447.db2.gz VJOLVUCVPLJCKU-YFKPBYRVSA-N 0 0 131.244 1.565 10 0 ADAERN [NH3+][C@@H](C1=CCCO1)[C@@H]1CCCS1 168244502 344326465 /nfs/dbraw/zinc/32/64/65/344326465.db2.gz ZSIVKNFUBHHBMC-IUCAKERBSA-N 0 0 185.292 1.514 10 0 ADAERN [NH3+][C@H](C1=CCCO1)[C@H]1CCCCS1 168245861 344326475 /nfs/dbraw/zinc/32/64/75/344326475.db2.gz LNDLEEAYHYXADY-NXEZZACHSA-N 0 0 199.319 1.904 10 0 ADAERN [NH3+][C@@H](C1=CCCO1)[C@H]1CCCS1 168244398 344326504 /nfs/dbraw/zinc/32/65/04/344326504.db2.gz ZSIVKNFUBHHBMC-BDAKNGLRSA-N 0 0 185.292 1.514 10 0 ADAERN [NH3+][C@@H](C1=CCCO1)[C@@H]1CCCCS1 168245963 344326557 /nfs/dbraw/zinc/32/65/57/344326557.db2.gz LNDLEEAYHYXADY-UWVGGRQHSA-N 0 0 199.319 1.904 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2ccnn2C)O1 168254684 344326577 /nfs/dbraw/zinc/32/65/77/344326577.db2.gz DQRRBTZXKCWWEU-CBAPKCEASA-N 0 0 194.234 1.170 10 0 ADAERN [NH3+][C@H](C1=CCCO1)[C@@H]1CCCS1 168244291 344326613 /nfs/dbraw/zinc/32/66/13/344326613.db2.gz ZSIVKNFUBHHBMC-DTWKUNHWSA-N 0 0 185.292 1.514 10 0 ADAERN CC(C)[C@@H](C)C(N)=S 168255104 344326641 /nfs/dbraw/zinc/32/66/41/344326641.db2.gz VJOLVUCVPLJCKU-RXMQYKEDSA-N 0 0 131.244 1.565 10 0 ADAERN CN[C@H](C1=CCCO1)c1cncs1 168240635 344326667 /nfs/dbraw/zinc/32/66/67/344326667.db2.gz APKYCMJWZGJDDU-SECBINFHSA-N 0 0 196.275 1.708 10 0 ADAERN [NH3+][C@@H](C1=CCCO1)[C@H]1CCCCS1 168246069 344326675 /nfs/dbraw/zinc/32/66/75/344326675.db2.gz LNDLEEAYHYXADY-ZJUUUORDSA-N 0 0 199.319 1.904 10 0 ADAERN N[C@H](C1=CCCO1)c1cncs1 168240442 344326682 /nfs/dbraw/zinc/32/66/82/344326682.db2.gz PQAIGNUUKFXEMW-MRVPVSSYSA-N 0 0 182.248 1.447 10 0 ADAERN CC[C@H](N[C@@H](C)C1CC1)C(=O)OC 168258574 344326770 /nfs/dbraw/zinc/32/67/70/344326770.db2.gz DMJMSFQGTKYGPT-CBAPKCEASA-N 0 0 185.267 1.326 10 0 ADAERN Cc1ccoc1[C@@H](N)C1=CCCO1 168271602 344326783 /nfs/dbraw/zinc/32/67/83/344326783.db2.gz LZSQZCQSXFTUGF-VIFPVBQESA-N 0 0 179.219 1.892 10 0 ADAERN CC[C@@H](N[C@@H](C)C1CC1)C(=O)OC 168258649 344327067 /nfs/dbraw/zinc/32/70/67/344327067.db2.gz DMJMSFQGTKYGPT-IONNQARKSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1ccoc1[C@H](N)C1=CCCO1 168271521 344327205 /nfs/dbraw/zinc/32/72/05/344327205.db2.gz LZSQZCQSXFTUGF-SECBINFHSA-N 0 0 179.219 1.892 10 0 ADAERN NNC[C@H]1CCCc2sccc21 168293135 344327262 /nfs/dbraw/zinc/32/72/62/344327262.db2.gz VONCMBJEAQAQKU-SSDOTTSWSA-N 0 0 182.292 1.631 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1Nc1nncs1 168290486 344327272 /nfs/dbraw/zinc/32/72/72/344327272.db2.gz WBXHMPIAUFPCEQ-WDSKDSINSA-N 0 0 199.279 1.109 10 0 ADAERN CC(=O)N(C)CCc1ccc(F)cc1 168302238 344327290 /nfs/dbraw/zinc/32/72/90/344327290.db2.gz KZLUOALOKAOJFV-UHFFFAOYSA-N 0 0 195.237 1.847 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2cnccn2)CO1 168296662 344327303 /nfs/dbraw/zinc/32/73/03/344327303.db2.gz KITHVMJUOMDCCW-SFYZADRCSA-N 0 0 192.218 1.084 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2cnccn2)O1 168305241 344327313 /nfs/dbraw/zinc/32/73/13/344327313.db2.gz PDHVYCYAZUSQMI-IONNQARKSA-N 0 0 192.218 1.227 10 0 ADAERN CC1(C)[C@@H](Nc2nncs2)C[C@H]1O 168290666 344327367 /nfs/dbraw/zinc/32/73/67/344327367.db2.gz WBXHMPIAUFPCEQ-NTSWFWBYSA-N 0 0 199.279 1.109 10 0 ADAERN c1ccc2c(c1)ncn2[C@@H]1CCOC1 168298997 344327385 /nfs/dbraw/zinc/32/73/85/344327385.db2.gz GZAQSDNSELEONX-SECBINFHSA-N 0 0 188.230 1.998 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2cnccn2)O1 168305330 344327455 /nfs/dbraw/zinc/32/74/55/344327455.db2.gz PDHVYCYAZUSQMI-APPZFPTMSA-N 0 0 192.218 1.227 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2nccn2C)CO1 168285005 344327462 /nfs/dbraw/zinc/32/74/62/344327462.db2.gz MBXLXMOMKRNNRP-YUMQZZPRSA-N 0 0 194.234 1.028 10 0 ADAERN NNC[C@@H]1CCCc2sccc21 168293046 344327473 /nfs/dbraw/zinc/32/74/73/344327473.db2.gz VONCMBJEAQAQKU-ZETCQYMHSA-N 0 0 182.292 1.631 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1Nc1nncs1 168290567 344327481 /nfs/dbraw/zinc/32/74/81/344327481.db2.gz WBXHMPIAUFPCEQ-PHDIDXHHSA-N 0 0 199.279 1.109 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2nccn2C)CO1 168285170 344327556 /nfs/dbraw/zinc/32/75/56/344327556.db2.gz MBXLXMOMKRNNRP-JGVFFNPUSA-N 0 0 194.234 1.028 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2cnccn2)CO1 168296912 344327564 /nfs/dbraw/zinc/32/75/64/344327564.db2.gz KITHVMJUOMDCCW-JGVFFNPUSA-N 0 0 192.218 1.084 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1Nc1nncs1 168290398 344327567 /nfs/dbraw/zinc/32/75/67/344327567.db2.gz WBXHMPIAUFPCEQ-RITPCOANSA-N 0 0 199.279 1.109 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2cnccn2)CO1 168296810 344327575 /nfs/dbraw/zinc/32/75/75/344327575.db2.gz KITHVMJUOMDCCW-HTQZYQBOSA-N 0 0 192.218 1.084 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2cnccn2)O1 168305148 344327606 /nfs/dbraw/zinc/32/76/06/344327606.db2.gz PDHVYCYAZUSQMI-VXNVDRBHSA-N 0 0 192.218 1.227 10 0 ADAERN c1ccc2c(c1)ncn2[C@H]1CCOC1 168299114 344327608 /nfs/dbraw/zinc/32/76/08/344327608.db2.gz GZAQSDNSELEONX-VIFPVBQESA-N 0 0 188.230 1.998 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2nccn2C)CO1 168285087 344327636 /nfs/dbraw/zinc/32/76/36/344327636.db2.gz MBXLXMOMKRNNRP-HTQZYQBOSA-N 0 0 194.234 1.028 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2nccn2C)CO1 168284919 344327657 /nfs/dbraw/zinc/32/76/57/344327657.db2.gz MBXLXMOMKRNNRP-SFYZADRCSA-N 0 0 194.234 1.028 10 0 ADAERN Cc1cnn(CCCF)c1 168312927 344327734 /nfs/dbraw/zinc/32/77/34/344327734.db2.gz ACSBARQNLRXRMH-UHFFFAOYSA-N 0 0 142.177 1.551 10 0 ADAERN COc1cc(O)c(N)cc1C 168309243 344327779 /nfs/dbraw/zinc/32/77/79/344327779.db2.gz IFNNXEGYCIBJCW-UHFFFAOYSA-N 0 0 153.181 1.291 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1Nc1ncns1 168310582 344327787 /nfs/dbraw/zinc/32/77/87/344327787.db2.gz CPFDGMXRHIZBIT-PHDIDXHHSA-N 0 0 199.279 1.109 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1Nc1ncns1 168310486 344327889 /nfs/dbraw/zinc/32/78/89/344327889.db2.gz CPFDGMXRHIZBIT-WDSKDSINSA-N 0 0 199.279 1.109 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1Nc1ncns1 168310383 344327902 /nfs/dbraw/zinc/32/79/02/344327902.db2.gz CPFDGMXRHIZBIT-RITPCOANSA-N 0 0 199.279 1.109 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2cnccn2)O1 168305424 344327921 /nfs/dbraw/zinc/32/79/21/344327921.db2.gz PDHVYCYAZUSQMI-CBAPKCEASA-N 0 0 192.218 1.227 10 0 ADAERN CC1(C)[C@@H](Nc2ncns2)C[C@H]1O 168310681 344327950 /nfs/dbraw/zinc/32/79/50/344327950.db2.gz CPFDGMXRHIZBIT-NTSWFWBYSA-N 0 0 199.279 1.109 10 0 ADAERN Fc1c[nH]cc(F)c1=S 168313372 344328122 /nfs/dbraw/zinc/32/81/22/344328122.db2.gz YSGBSXWHJUIZBK-UHFFFAOYSA-N 0 0 147.149 1.649 10 0 ADAERN CC[C@@H](C)Nc1ccnc(F)n1 168331506 344328555 /nfs/dbraw/zinc/32/85/55/344328555.db2.gz MMEFZIQKISYMKM-ZCFIWIBFSA-N 0 0 169.203 1.826 10 0 ADAERN CC[C@H](C)Nc1ccnc(F)n1 168331609 344328641 /nfs/dbraw/zinc/32/86/41/344328641.db2.gz MMEFZIQKISYMKM-LURJTMIESA-N 0 0 169.203 1.826 10 0 ADAERN CC1CCC2(CC1)CNC(=O)NC2=O 168349539 344328850 /nfs/dbraw/zinc/32/88/50/344328850.db2.gz FCCIWZXGYXCKRJ-UHFFFAOYSA-N 0 0 196.250 1.022 10 0 ADAERN CCCCOC[C@H](COC)OC 168354021 344328936 /nfs/dbraw/zinc/32/89/36/344328936.db2.gz KQYOFUDJRNSWJH-VIFPVBQESA-N 0 0 176.256 1.465 10 0 ADAERN CCCCOC[C@@H](COC)OC 168353916 344328974 /nfs/dbraw/zinc/32/89/74/344328974.db2.gz KQYOFUDJRNSWJH-SECBINFHSA-N 0 0 176.256 1.465 10 0 ADAERN CC(C)C(=O)N1C[C@@H](C)[C@H]1C 168375347 344329228 /nfs/dbraw/zinc/32/92/28/344329228.db2.gz YEWLXEHSWHNSOG-HTQZYQBOSA-N 0 0 155.241 1.509 10 0 ADAERN c1coc(-c2cc3[nH]ccn3n2)c1 168343796 344329035 /nfs/dbraw/zinc/32/90/35/344329035.db2.gz PDJUMUXFTICOJP-UHFFFAOYSA-N 0 0 173.175 1.922 10 0 ADAERN CC(C)C(=O)N1C[C@H](C)[C@H]1C 168375454 344329411 /nfs/dbraw/zinc/32/94/11/344329411.db2.gz YEWLXEHSWHNSOG-JGVFFNPUSA-N 0 0 155.241 1.509 10 0 ADAERN CC(C)C(=O)N1C[C@H](C)[C@@H]1C 168375238 344329503 /nfs/dbraw/zinc/32/95/03/344329503.db2.gz YEWLXEHSWHNSOG-YUMQZZPRSA-N 0 0 155.241 1.509 10 0 ADAERN CC(C)C(=O)N1C[C@@H](C)[C@@H]1C 168375128 344329510 /nfs/dbraw/zinc/32/95/10/344329510.db2.gz YEWLXEHSWHNSOG-SFYZADRCSA-N 0 0 155.241 1.509 10 0 ADAERN C[NH2+][C@H](C1=CCCO1)[C@H]1CCCCO1 168387746 344329695 /nfs/dbraw/zinc/32/96/95/344329695.db2.gz AQPDWGPQTRFKNI-KOLCDFICSA-N 0 0 197.278 1.448 10 0 ADAERN Nc1cccc2c1N(CCCF)CC2 168386695 344329749 /nfs/dbraw/zinc/32/97/49/344329749.db2.gz FLCISPHFRIOSQL-UHFFFAOYSA-N 0 0 194.253 1.991 10 0 ADAERN Cc1nc([C@H](N)C2=CCCO2)cs1 168385721 344329773 /nfs/dbraw/zinc/32/97/73/344329773.db2.gz FFDOFXIUILMHGJ-VIFPVBQESA-N 0 0 196.275 1.756 10 0 ADAERN Cc1nc([C@@H](N)C2=CCCO2)cs1 168385810 344329785 /nfs/dbraw/zinc/32/97/85/344329785.db2.gz FFDOFXIUILMHGJ-SECBINFHSA-N 0 0 196.275 1.756 10 0 ADAERN C[NH2+][C@@H](C1=CCCO1)[C@H]1CCCCO1 168387847 344329868 /nfs/dbraw/zinc/32/98/68/344329868.db2.gz AQPDWGPQTRFKNI-MWLCHTKSSA-N 0 0 197.278 1.448 10 0 ADAERN Cc1nnsc1[C@@H](N)C1=CCCO1 168384755 344329873 /nfs/dbraw/zinc/32/98/73/344329873.db2.gz PQCRSGKDUTXZLK-ZETCQYMHSA-N 0 0 197.263 1.151 10 0 ADAERN O=C1NCC2(CCCCCC2)C(=O)N1 168385095 344329885 /nfs/dbraw/zinc/32/98/85/344329885.db2.gz QOOIQQFPXMNXOF-UHFFFAOYSA-N 0 0 196.250 1.166 10 0 ADAERN Nc1cccc2c1N(CCF)CC2 168386586 344329893 /nfs/dbraw/zinc/32/98/93/344329893.db2.gz LJVSICOFCJKQLR-UHFFFAOYSA-N 0 0 180.226 1.601 10 0 ADAERN Cc1nnsc1[C@H](N)C1=CCCO1 168384656 344329939 /nfs/dbraw/zinc/32/99/39/344329939.db2.gz PQCRSGKDUTXZLK-SSDOTTSWSA-N 0 0 197.263 1.151 10 0 ADAERN C[NH2+][C@@H](C1=CCCO1)[C@@H]1CCCCO1 168387662 344329946 /nfs/dbraw/zinc/32/99/46/344329946.db2.gz AQPDWGPQTRFKNI-GXSJLCMTSA-N 0 0 197.278 1.448 10 0 ADAERN C[NH2+][C@H](C1=CCCO1)[C@@H]1CCCCO1 168387571 344329950 /nfs/dbraw/zinc/32/99/50/344329950.db2.gz AQPDWGPQTRFKNI-ONGXEEELSA-N 0 0 197.278 1.448 10 0 ADAERN CN[C@@H](C1=CCCO1)c1csnn1 168380397 344329955 /nfs/dbraw/zinc/32/99/55/344329955.db2.gz YHLUFRNDMGQNIX-MRVPVSSYSA-N 0 0 197.263 1.103 10 0 ADAERN CCc1noc(-c2cccc(N)n2)n1 168406368 344330220 /nfs/dbraw/zinc/33/02/20/344330220.db2.gz KNCYEUHUWBRPOO-UHFFFAOYSA-N 0 0 190.206 1.276 10 0 ADAERN NC(=S)c1ccc(NC=O)c(F)c1 168405243 344330257 /nfs/dbraw/zinc/33/02/57/344330257.db2.gz FXKQJMLIFAAFBS-UHFFFAOYSA-N 0 0 198.222 1.028 10 0 ADAERN CN[C@@H](C1=CCCO1)c1cnsn1 168419280 344330277 /nfs/dbraw/zinc/33/02/77/344330277.db2.gz JCMQKKDHKNXNDX-MRVPVSSYSA-N 0 0 197.263 1.103 10 0 ADAERN CN[C@H](C1=CCCO1)c1cnsn1 168419183 344330428 /nfs/dbraw/zinc/33/04/28/344330428.db2.gz JCMQKKDHKNXNDX-QMMMGPOBSA-N 0 0 197.263 1.103 10 0 ADAERN COc1cc(OC)nc(NC(C)C)n1 168432095 344330752 /nfs/dbraw/zinc/33/07/52/344330752.db2.gz OGMNFGUFPAOIOV-UHFFFAOYSA-N 0 0 197.238 1.314 10 0 ADAERN C/C=C/CCNc1ncncc1N 168439748 344330812 /nfs/dbraw/zinc/33/08/12/344330812.db2.gz JDGLVINAGYCEJN-NSCUHMNNSA-N 0 0 178.239 1.437 10 0 ADAERN NC(=O)NC(=O)CC1CCCCCC1 168443855 344330876 /nfs/dbraw/zinc/33/08/76/344330876.db2.gz BQMHXPFVFKYNAP-UHFFFAOYSA-N 0 0 198.266 1.542 10 0 ADAERN C/C=C/CCNc1ncc(N)cn1 168432970 344330914 /nfs/dbraw/zinc/33/09/14/344330914.db2.gz LQKQKHDWOWRLLW-NSCUHMNNSA-N 0 0 178.239 1.437 10 0 ADAERN C/C=C/CCNc1c(N)c(C)nn1C 168437801 344330939 /nfs/dbraw/zinc/33/09/39/344330939.db2.gz NJRVVSSJBLVJMJ-SNAWJCMRSA-N 0 0 194.282 1.689 10 0 ADAERN O=C([O-])C1(C[NH+]2CC=CC2)CCC1 168458170 344331328 /nfs/dbraw/zinc/33/13/28/344331328.db2.gz XAQUOBMLONSCHI-UHFFFAOYSA-N 0 0 181.235 1.113 10 0 ADAERN CC1(C)C[NH+](CC2(C(=O)[O-])CCC2)C1 168459175 344331326 /nfs/dbraw/zinc/33/13/26/344331326.db2.gz GXCQCIPYYZHADL-UHFFFAOYSA-N 0 0 197.278 1.583 10 0 ADAERN C[C@H]1CCC[N@@H+]1CC1(C(=O)[O-])CCC1 168460178 344331300 /nfs/dbraw/zinc/33/13/00/344331300.db2.gz KFDQLKGCCVVRKJ-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CC1CN(C(=O)C(C)C)C1 168470800 344331315 /nfs/dbraw/zinc/33/13/15/344331315.db2.gz AJWBJFMOSBEOLP-UHFFFAOYSA-N 0 0 141.214 1.121 10 0 ADAERN C[C@@H]1CCC[N@@H+]1CC1(C(=O)[O-])CCC1 168460082 344331394 /nfs/dbraw/zinc/33/13/94/344331394.db2.gz KFDQLKGCCVVRKJ-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC(C)N1C(=O)NCC2(CCC2)C1=O 168457657 344331438 /nfs/dbraw/zinc/33/14/38/344331438.db2.gz OYJQOAWPODEZOE-UHFFFAOYSA-N 0 0 196.250 1.117 10 0 ADAERN CC1C[NH+](CC2(C(=O)[O-])CCC2)C1 168459985 344331450 /nfs/dbraw/zinc/33/14/50/344331450.db2.gz QHURQVDUDCPQEC-UHFFFAOYSA-N 0 0 183.251 1.193 10 0 ADAERN CCCN1C(=O)NCC2(CCC2)C1=O 168457555 344331480 /nfs/dbraw/zinc/33/14/80/344331480.db2.gz KPPZKHZIXWMUNP-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN C[C@]1([C@@H]([NH3+])C2=CCCO2)CCCS1 168493396 344331763 /nfs/dbraw/zinc/33/17/63/344331763.db2.gz WSEVOZVQGJKZDY-VHSXEESVSA-N 0 0 199.319 1.904 10 0 ADAERN O=C(Cc1ccccc1)OCCCO 168495339 344331771 /nfs/dbraw/zinc/33/17/71/344331771.db2.gz OEGJDPOLCIXYOT-UHFFFAOYSA-N 0 0 194.230 1.155 10 0 ADAERN CC(C)C[C@H](O)[C@H]1CCCCO1 168484064 344331832 /nfs/dbraw/zinc/33/18/32/344331832.db2.gz OQPQIJIQBRPPRG-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN O[C@H](C[C@H]1CCCO1)C1=CCCO1 168502692 344331839 /nfs/dbraw/zinc/33/18/39/344331839.db2.gz TUPGGHJAGXYSKB-RKDXNWHRSA-N 0 0 184.235 1.221 10 0 ADAERN C[C@@H](O)CC(=O)NC1CCCCC1 168494120 344331843 /nfs/dbraw/zinc/33/18/43/344331843.db2.gz QATALPFVAFWGDP-MRVPVSSYSA-N 0 0 185.267 1.206 10 0 ADAERN O[C@@H](C[C@H]1CCCO1)C1=CCCO1 168502493 344331845 /nfs/dbraw/zinc/33/18/45/344331845.db2.gz TUPGGHJAGXYSKB-BDAKNGLRSA-N 0 0 184.235 1.221 10 0 ADAERN CC(C)C[C@@H](O)[C@H]1CCCCO1 168484153 344331848 /nfs/dbraw/zinc/33/18/48/344331848.db2.gz OQPQIJIQBRPPRG-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cnc([C@@H](O)C2=CCCO2)cn1 168504646 344331911 /nfs/dbraw/zinc/33/19/11/344331911.db2.gz GOUIJEDZYNCGLN-SNVBAGLBSA-N 0 0 192.218 1.123 10 0 ADAERN CC(C)C[C@H](O)[C@@H]1CCCCO1 168483869 344331919 /nfs/dbraw/zinc/33/19/19/344331919.db2.gz OQPQIJIQBRPPRG-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)C[C@@H](O)[C@@H]1CCCCO1 168483960 344331935 /nfs/dbraw/zinc/33/19/35/344331935.db2.gz OQPQIJIQBRPPRG-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN [NH3+][C@@H]1CN(c2ccc(Cl)cc2)C1=O 168491813 344331948 /nfs/dbraw/zinc/33/19/48/344331948.db2.gz SNQZWLRVYKPPFG-MRVPVSSYSA-N 0 0 196.637 1.014 10 0 ADAERN C[C@@]1([C@H]([NH3+])C2=CCCO2)CCCS1 168493313 344331966 /nfs/dbraw/zinc/33/19/66/344331966.db2.gz WSEVOZVQGJKZDY-ZJUUUORDSA-N 0 0 199.319 1.904 10 0 ADAERN C[C@@]1([C@@H]([NH3+])C2=CCCO2)CCCS1 168493488 344331972 /nfs/dbraw/zinc/33/19/72/344331972.db2.gz WSEVOZVQGJKZDY-UWVGGRQHSA-N 0 0 199.319 1.904 10 0 ADAERN C=CCOC(=O)[C@@H](O)[C@@H](C)CC 168489308 344331980 /nfs/dbraw/zinc/33/19/80/344331980.db2.gz CIZRKQANBJWJFL-YUMQZZPRSA-N 0 0 172.224 1.123 10 0 ADAERN Cc1ncc(CO)c(C2CC2)n1 168497422 344331982 /nfs/dbraw/zinc/33/19/82/344331982.db2.gz KICPSZRBLCDHEX-UHFFFAOYSA-N 0 0 164.208 1.155 10 0 ADAERN [NH3+][C@H]1CN(c2ccc(Cl)cc2)C1=O 168491712 344332009 /nfs/dbraw/zinc/33/20/09/344332009.db2.gz SNQZWLRVYKPPFG-QMMMGPOBSA-N 0 0 196.637 1.014 10 0 ADAERN O[C@H](C[C@@H]1CCCO1)C1=CCCO1 168502790 344332016 /nfs/dbraw/zinc/33/20/16/344332016.db2.gz TUPGGHJAGXYSKB-DTWKUNHWSA-N 0 0 184.235 1.221 10 0 ADAERN Cc1cnc([C@H](O)C2=CCCO2)cn1 168504558 344332020 /nfs/dbraw/zinc/33/20/20/344332020.db2.gz GOUIJEDZYNCGLN-JTQLQIEISA-N 0 0 192.218 1.123 10 0 ADAERN O[C@@H](C[C@@H]1CCCO1)C1=CCCO1 168502592 344332088 /nfs/dbraw/zinc/33/20/88/344332088.db2.gz TUPGGHJAGXYSKB-IUCAKERBSA-N 0 0 184.235 1.221 10 0 ADAERN O[C@@H](C1=CCCO1)c1ccc(F)cn1 168547792 344332275 /nfs/dbraw/zinc/33/22/75/344332275.db2.gz NGGWMPFJZWJMHH-SNVBAGLBSA-N 0 0 195.193 1.558 10 0 ADAERN O[C@@H](C1=CCCO1)c1ccncc1F 168540397 344332303 /nfs/dbraw/zinc/33/23/03/344332303.db2.gz CUEURPDQBMBBPW-SNVBAGLBSA-N 0 0 195.193 1.558 10 0 ADAERN CC(C)C(=O)[C@](C)([NH3+])C1CC1 168554194 344332393 /nfs/dbraw/zinc/33/23/93/344332393.db2.gz DFHBHNVJINNHGC-SECBINFHSA-N 0 0 155.241 1.339 10 0 ADAERN O[C@@H](Cc1ccsc1)C1=CCCO1 168532179 344332397 /nfs/dbraw/zinc/33/23/97/344332397.db2.gz KHJYGBCDDXFOBC-VIFPVBQESA-N 0 0 196.271 1.956 10 0 ADAERN O[C@H](Cc1ccsc1)C1=CCCO1 168532275 344332453 /nfs/dbraw/zinc/33/24/53/344332453.db2.gz KHJYGBCDDXFOBC-SECBINFHSA-N 0 0 196.271 1.956 10 0 ADAERN O[C@@H](C1=CCCO1)C(F)(F)F 168517523 344332480 /nfs/dbraw/zinc/33/24/80/344332480.db2.gz TXUZCOZOCWQIDX-YFKPBYRVSA-N 0 0 168.114 1.214 10 0 ADAERN Cc1nc(F)c(F)c(F)n1 168526855 344332522 /nfs/dbraw/zinc/33/25/22/344332522.db2.gz ZQGNQDAYNFSDGF-UHFFFAOYSA-N 0 0 148.087 1.202 10 0 ADAERN Cc1cc([C@@H](O)C2=CCCO2)n(C)n1 168528061 344332528 /nfs/dbraw/zinc/33/25/28/344332528.db2.gz GYEJFPKAHJSCQQ-SNVBAGLBSA-N 0 0 194.234 1.066 10 0 ADAERN O[C@H](C1=CCCO1)c1ccc(F)cn1 168547702 344332548 /nfs/dbraw/zinc/33/25/48/344332548.db2.gz NGGWMPFJZWJMHH-JTQLQIEISA-N 0 0 195.193 1.558 10 0 ADAERN O=C(OC1CC1)C1CC1 168530354 344332565 /nfs/dbraw/zinc/33/25/65/344332565.db2.gz VSAIEOMLZXVBPS-UHFFFAOYSA-N 0 0 126.155 1.102 10 0 ADAERN O[C@H](C1=CCCO1)c1ccncc1F 168540300 344332588 /nfs/dbraw/zinc/33/25/88/344332588.db2.gz CUEURPDQBMBBPW-JTQLQIEISA-N 0 0 195.193 1.558 10 0 ADAERN CC(C)C(=O)[C@@](C)([NH3+])C1CC1 168554280 344332595 /nfs/dbraw/zinc/33/25/95/344332595.db2.gz DFHBHNVJINNHGC-VIFPVBQESA-N 0 0 155.241 1.339 10 0 ADAERN CC1CN(C(=O)C2(C)CC2)C1 168556677 344332851 /nfs/dbraw/zinc/33/28/51/344332851.db2.gz CZOHNMVUNLKDJB-UHFFFAOYSA-N 0 0 153.225 1.265 10 0 ADAERN C[C@H]1CN(C(=O)C2CC2)[C@@H]1C 168557447 344332894 /nfs/dbraw/zinc/33/28/94/344332894.db2.gz IYNHAKJPNCGWDA-NKWVEPMBSA-N 0 0 153.225 1.263 10 0 ADAERN C[C@H]1[C@H](C)CN1C(=O)C1CC1 168557527 344332911 /nfs/dbraw/zinc/33/29/11/344332911.db2.gz IYNHAKJPNCGWDA-RQJHMYQMSA-N 0 0 153.225 1.263 10 0 ADAERN C[C@@H]1CN(C(=O)C2CC2)[C@@H]1C 168557354 344332943 /nfs/dbraw/zinc/33/29/43/344332943.db2.gz IYNHAKJPNCGWDA-RNFRBKRXSA-N 0 0 153.225 1.263 10 0 ADAERN COc1cc(O)cc(OC)c1F 168566169 344333068 /nfs/dbraw/zinc/33/30/68/344333068.db2.gz WVVOEYFSRVZEDE-UHFFFAOYSA-N 0 0 172.155 1.549 10 0 ADAERN C[C@H]1CN(C(=O)C2CC2)[C@H]1C 168557621 344333097 /nfs/dbraw/zinc/33/30/97/344333097.db2.gz IYNHAKJPNCGWDA-BQBZGAKWSA-N 0 0 153.225 1.263 10 0 ADAERN Cc1cc(-c2cc(N)n(C)n2)ccn1 168571842 344333121 /nfs/dbraw/zinc/33/31/21/344333121.db2.gz ZTOROUMJLLUOLX-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN O=c1[nH]cc(O)c2ccc(Cl)cc12 168596983 344333292 /nfs/dbraw/zinc/33/32/92/344333292.db2.gz GVFFLRYFKQMABK-UHFFFAOYSA-N 0 0 195.605 1.887 10 0 ADAERN Cc1occc1[C@@H](NN)C1=CCCO1 168611165 344333375 /nfs/dbraw/zinc/33/33/75/344333375.db2.gz PKIBNHQSQQTTGK-SNVBAGLBSA-N 0 0 194.234 1.397 10 0 ADAERN C/C=C(/CO)OCCCC 168594208 344333376 /nfs/dbraw/zinc/33/33/76/344333376.db2.gz BAMWHOZFHWSTNA-YWEYNIOJSA-N 0 0 144.214 1.699 10 0 ADAERN C=Cc1ccc(=O)n(C2CC2)c1 168616125 344333415 /nfs/dbraw/zinc/33/34/15/344333415.db2.gz MNRAJFFXSVMSRP-UHFFFAOYSA-N 0 0 161.204 1.826 10 0 ADAERN O=C([O-])C1(CNc2cc[nH+]cc2)CC1 168602549 344333501 /nfs/dbraw/zinc/33/35/01/344333501.db2.gz ZUNWVEQHNPUULK-UHFFFAOYSA-N 0 0 192.218 1.358 10 0 ADAERN Cc1occc1[C@H](NN)C1=CCCO1 168611087 344333588 /nfs/dbraw/zinc/33/35/88/344333588.db2.gz PKIBNHQSQQTTGK-JTQLQIEISA-N 0 0 194.234 1.397 10 0 ADAERN CCc1cccc(CC(N)=O)c1 168609179 344333621 /nfs/dbraw/zinc/33/36/21/344333621.db2.gz DZAIMBOGFQCGAZ-UHFFFAOYSA-N 0 0 163.220 1.277 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)C1CC1 168636541 344333757 /nfs/dbraw/zinc/33/37/57/344333757.db2.gz CYYGESDQFCUZJT-HTRCEHHLSA-N 0 0 154.209 1.391 10 0 ADAERN COc1c(F)cc(C=O)c(F)c1F 168650240 344333913 /nfs/dbraw/zinc/33/39/13/344333913.db2.gz HMDPUHUAYDRFDW-UHFFFAOYSA-N 0 0 190.120 1.925 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)C1CC1 168636710 344334089 /nfs/dbraw/zinc/33/40/89/344334089.db2.gz CYYGESDQFCUZJT-SVRRBLITSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)C1CC1 168636622 344334212 /nfs/dbraw/zinc/33/42/12/344334212.db2.gz CYYGESDQFCUZJT-POYBYMJQSA-N 0 0 154.209 1.391 10 0 ADAERN COC(=N)c1ccc(O)cc1F 168667945 344334420 /nfs/dbraw/zinc/33/44/20/344334420.db2.gz HHYOOQWSOYBRBW-UHFFFAOYSA-N 0 0 169.155 1.503 10 0 ADAERN CCC(F)(F)CNC(C)=O 168666709 344334457 /nfs/dbraw/zinc/33/44/57/344334457.db2.gz JQASAZGLLVETDI-UHFFFAOYSA-N 0 0 151.156 1.168 10 0 ADAERN CC(C)(C)N1C(=O)NCC2(CC2)C1=O 168668505 344334471 /nfs/dbraw/zinc/33/44/71/344334471.db2.gz XBBGEFIFCLEYEE-UHFFFAOYSA-N 0 0 196.250 1.117 10 0 ADAERN c1ccc2c(c1)cnc1nccn12 168659873 344334530 /nfs/dbraw/zinc/33/45/30/344334530.db2.gz VYWVDWXJIWSMJT-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN CCCCN1C(=O)NCC2(CC2)C1=O 168669020 344334611 /nfs/dbraw/zinc/33/46/11/344334611.db2.gz DFPCOMKETPXYLL-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN O[C@@H](C1=CCCCO1)c1ncc[nH]1 168705740 344334939 /nfs/dbraw/zinc/33/49/39/344334939.db2.gz COCUCOIFHLRHHE-QMMMGPOBSA-N 0 0 180.207 1.137 10 0 ADAERN Cc1cnccc1[C@H](O)C1=CCCO1 168711953 344334951 /nfs/dbraw/zinc/33/49/51/344334951.db2.gz NUAXIMORCBNQKS-NSHDSACASA-N 0 0 191.230 1.728 10 0 ADAERN Cc1ccncc1C(=O)C(C)(C)[NH3+] 168681220 344334954 /nfs/dbraw/zinc/33/49/54/344334954.db2.gz QYUYMUGWGUKKQN-UHFFFAOYSA-N 0 0 178.235 1.310 10 0 ADAERN c1cnc2c(c1)NCC1(CC1)CN2 168683270 344334958 /nfs/dbraw/zinc/33/49/58/344334958.db2.gz IGJNPQDDPNPQFN-UHFFFAOYSA-N 0 0 175.235 1.699 10 0 ADAERN Cc1nc(CC(=O)C(C)(C)[NH3+])cs1 168678207 344334968 /nfs/dbraw/zinc/33/49/68/344334968.db2.gz ZOJUFXLPELVDAN-UHFFFAOYSA-N 0 0 198.291 1.300 10 0 ADAERN CCn1ccc2c(C=O)ccnc21 168699758 344334975 /nfs/dbraw/zinc/33/49/75/344334975.db2.gz SZRBKVSYSPHMIS-UHFFFAOYSA-N 0 0 174.203 1.869 10 0 ADAERN Cc1cnccc1[C@@H](O)C1=CCCO1 168712047 344334982 /nfs/dbraw/zinc/33/49/82/344334982.db2.gz NUAXIMORCBNQKS-LLVKDONJSA-N 0 0 191.230 1.728 10 0 ADAERN O[C@@H](C1=CCCO1)c1ncccc1F 168708729 344334987 /nfs/dbraw/zinc/33/49/87/344334987.db2.gz VUMIGAHOVKEVJJ-JTQLQIEISA-N 0 0 195.193 1.558 10 0 ADAERN COC(=O)Cc1ccsc1C 168687865 344334996 /nfs/dbraw/zinc/33/49/96/344334996.db2.gz PZSMKSQEAGDUSQ-UHFFFAOYSA-N 0 0 170.233 1.772 10 0 ADAERN C/C=C/CCNC#N 168683887 344335090 /nfs/dbraw/zinc/33/50/90/344335090.db2.gz IYDXXMJRRPNNPV-NSCUHMNNSA-N 0 0 110.160 1.023 10 0 ADAERN CCn1nc(-c2ccncc2)cc1N 168694864 344335110 /nfs/dbraw/zinc/33/51/10/344335110.db2.gz SQPNNBBLHOCXOR-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CC(C)([NH3+])C(=O)C1CCC1 168682350 344335117 /nfs/dbraw/zinc/33/51/17/344335117.db2.gz YXHYKWJQSYVDSB-UHFFFAOYSA-N 0 0 141.214 1.093 10 0 ADAERN CC(C)([NH3+])C(=O)Cc1ccoc1 168679376 344335145 /nfs/dbraw/zinc/33/51/45/344335145.db2.gz KKRZNIGZBXHSEV-UHFFFAOYSA-N 0 0 167.208 1.129 10 0 ADAERN O[C@H](C1=CCCCO1)c1ncc[nH]1 168705642 344335209 /nfs/dbraw/zinc/33/52/09/344335209.db2.gz COCUCOIFHLRHHE-MRVPVSSYSA-N 0 0 180.207 1.137 10 0 ADAERN CC(C)([NH3+])C(=O)CC1CC1 168680554 344335219 /nfs/dbraw/zinc/33/52/19/344335219.db2.gz IXXCVLQEAJXLRD-UHFFFAOYSA-N 0 0 141.214 1.093 10 0 ADAERN O[C@H](C1=CCCO1)c1ncccc1F 168708632 344335256 /nfs/dbraw/zinc/33/52/56/344335256.db2.gz VUMIGAHOVKEVJJ-SNVBAGLBSA-N 0 0 195.193 1.558 10 0 ADAERN O[C@H](C1=CCCCO1)C(F)F 168714808 344335534 /nfs/dbraw/zinc/33/55/34/344335534.db2.gz QRJJMILPOOGRTP-ZCFIWIBFSA-N 0 0 164.151 1.307 10 0 ADAERN COC1([C@@H](O)C2=CCCO2)CCCC1 168717685 344335554 /nfs/dbraw/zinc/33/55/54/344335554.db2.gz YMPSKXIRDVABLQ-JTQLQIEISA-N 0 0 198.262 1.611 10 0 ADAERN Cc1cccnc1NCC(C)(C)CO 168714880 344335560 /nfs/dbraw/zinc/33/55/60/344335560.db2.gz GXYPHPXTIVAAMX-UHFFFAOYSA-N 0 0 194.278 1.820 10 0 ADAERN COC1([C@H](O)C2=CCCO2)CCCC1 168717590 344335665 /nfs/dbraw/zinc/33/56/65/344335665.db2.gz YMPSKXIRDVABLQ-SNVBAGLBSA-N 0 0 198.262 1.611 10 0 ADAERN COC1([C@H](O)C2=CCCO2)CCC1 168718855 344335711 /nfs/dbraw/zinc/33/57/11/344335711.db2.gz MXVZVHJRMYATAV-SECBINFHSA-N 0 0 184.235 1.221 10 0 ADAERN COC1([C@@H](O)C2=CCCO2)CCC1 168718941 344335752 /nfs/dbraw/zinc/33/57/52/344335752.db2.gz MXVZVHJRMYATAV-VIFPVBQESA-N 0 0 184.235 1.221 10 0 ADAERN O[C@@H](C1=CCCCO1)C(F)F 168714723 344335755 /nfs/dbraw/zinc/33/57/55/344335755.db2.gz QRJJMILPOOGRTP-LURJTMIESA-N 0 0 164.151 1.307 10 0 ADAERN Cc1nn(C)cc1NC1CC1 168746664 344336137 /nfs/dbraw/zinc/33/61/37/344336137.db2.gz QCOJHUPTBAZORX-UHFFFAOYSA-N 0 0 151.213 1.303 10 0 ADAERN CC(=O)c1ccc(NN(C)C)cc1 168752929 344336303 /nfs/dbraw/zinc/33/63/03/344336303.db2.gz YFUKBKVKPPMLSU-UHFFFAOYSA-N 0 0 178.235 1.778 10 0 ADAERN CCn1cc(NC2CC2)cn1 168745727 344336220 /nfs/dbraw/zinc/33/62/20/344336220.db2.gz BQAZAHPURJGSNU-UHFFFAOYSA-N 0 0 151.213 1.477 10 0 ADAERN COC(=O)Nc1ccc(N)cc1O 168742116 344336339 /nfs/dbraw/zinc/33/63/39/344336339.db2.gz UWLZWSDKLVOJTD-UHFFFAOYSA-N 0 0 182.179 1.153 10 0 ADAERN CC1(C)C[NH2+]C[C@@H](C(F)(F)F)OC1 168782265 344336940 /nfs/dbraw/zinc/33/69/40/344336940.db2.gz WRIGHSYAUGKJCH-LURJTMIESA-N 0 0 197.200 1.563 10 0 ADAERN CC1(C)C[NH2+]C[C@H](C(F)(F)F)OC1 168782178 344337158 /nfs/dbraw/zinc/33/71/58/344337158.db2.gz WRIGHSYAUGKJCH-ZCFIWIBFSA-N 0 0 197.200 1.563 10 0 ADAERN OCc1ccccc1-c1cn[nH]c1 168799402 344337550 /nfs/dbraw/zinc/33/75/50/344337550.db2.gz ZFFYSYYZASUSGH-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN Cc1c[nH]c(=O)c2cc(N)ccc12 168820889 344338168 /nfs/dbraw/zinc/33/81/68/344338168.db2.gz VOFZAZPXEPIVJP-UHFFFAOYSA-N 0 0 174.203 1.419 10 0 ADAERN C/C=C/CCN1CCC(=O)C1 168829036 344338199 /nfs/dbraw/zinc/33/81/99/344338199.db2.gz CVOOADPLWSHTSI-NSCUHMNNSA-N 0 0 153.225 1.227 10 0 ADAERN C/C=C/CCNc1ccncn1 168858067 344338529 /nfs/dbraw/zinc/33/85/29/344338529.db2.gz JQUCRKZBPLOHON-NSCUHMNNSA-N 0 0 163.224 1.855 10 0 ADAERN Cc1cscc1-c1nc(CO)no1 168854577 344338533 /nfs/dbraw/zinc/33/85/33/344338533.db2.gz HESSYFZAKMTYQJ-UHFFFAOYSA-N 0 0 196.231 1.599 10 0 ADAERN C/C=C/CCNc1nncs1 168856725 344338567 /nfs/dbraw/zinc/33/85/67/344338567.db2.gz BAVKZFOUVRHKAR-NSCUHMNNSA-N 0 0 169.253 1.916 10 0 ADAERN Nc1ccc(NCCF)nc1 168846946 344338569 /nfs/dbraw/zinc/33/85/69/344338569.db2.gz FAHPALRSXBIZRR-UHFFFAOYSA-N 0 0 155.176 1.045 10 0 ADAERN Cc1ccsc1-c1nc(CO)no1 168842226 344338622 /nfs/dbraw/zinc/33/86/22/344338622.db2.gz CFVAJYFHEKRDNN-UHFFFAOYSA-N 0 0 196.231 1.599 10 0 ADAERN OCc1noc([C@@H]2CCCS2)n1 168849426 344338649 /nfs/dbraw/zinc/33/86/49/344338649.db2.gz FYFHZHOTGMRGBA-YFKPBYRVSA-N 0 0 186.236 1.130 10 0 ADAERN CC(C)N1Cc2cc(=O)[nH]cc2C1=O 168856746 344338797 /nfs/dbraw/zinc/33/87/97/344338797.db2.gz ZFSNOZAMBBEEAK-UHFFFAOYSA-N 0 0 192.218 1.151 10 0 ADAERN Cc1ccc(-c2nc(CO)no2)o1 168852751 344338806 /nfs/dbraw/zinc/33/88/06/344338806.db2.gz PVIFQCRAAFLLHO-UHFFFAOYSA-N 0 0 180.163 1.130 10 0 ADAERN Cc1nc(C(=O)NC2CCC2)cs1 168889998 344338991 /nfs/dbraw/zinc/33/89/91/344338991.db2.gz VIAQJKAHLRKCEU-UHFFFAOYSA-N 0 0 196.275 1.734 10 0 ADAERN Cc1occc1-c1nc([C@@H](C)O)no1 168889054 344338999 /nfs/dbraw/zinc/33/89/99/344338999.db2.gz UJEQPCPYWGWZCU-RXMQYKEDSA-N 0 0 194.190 1.691 10 0 ADAERN NC(=S)c1ccc(N)cc1F 169006169 344342169 /nfs/dbraw/zinc/34/21/69/344342169.db2.gz OXJPBMASQQPAQG-UHFFFAOYSA-N 0 0 170.212 1.042 10 0 ADAERN C[C@@H]1C[C@H]([C@H](O)c2cccnc2)CO1 168869439 344339019 /nfs/dbraw/zinc/33/90/19/344339019.db2.gz AVLPEEKHJMPRIK-DVVUODLYSA-N 0 0 193.246 1.540 10 0 ADAERN Cc1c(N)noc1C1(C)CC1 168881808 344339039 /nfs/dbraw/zinc/33/90/39/344339039.db2.gz SVDBKLPZLVYFQR-UHFFFAOYSA-N 0 0 152.197 1.617 10 0 ADAERN C[C@@H]1C[C@@H]([C@H](O)c2cccnc2)CO1 168869627 344339046 /nfs/dbraw/zinc/33/90/46/344339046.db2.gz AVLPEEKHJMPRIK-FBIMIBRVSA-N 0 0 193.246 1.540 10 0 ADAERN CCC(C)(C)c1nc(CO)no1 168866956 344339064 /nfs/dbraw/zinc/33/90/64/344339064.db2.gz WMOGNRLPPQFALK-UHFFFAOYSA-N 0 0 170.212 1.250 10 0 ADAERN Cn1ccnc1N1CCCCC1 168891672 344339120 /nfs/dbraw/zinc/33/91/20/344339120.db2.gz ZWONFLBZOVXQJQ-UHFFFAOYSA-N 0 0 165.240 1.410 10 0 ADAERN Cc1occc1-c1nc([C@H](C)O)no1 168889142 344339242 /nfs/dbraw/zinc/33/92/42/344339242.db2.gz UJEQPCPYWGWZCU-YFKPBYRVSA-N 0 0 194.190 1.691 10 0 ADAERN Cc1csc(NCC2(CO)CC2)n1 168895367 344339399 /nfs/dbraw/zinc/33/93/99/344339399.db2.gz FEJQDJUUTLEWQW-UHFFFAOYSA-N 0 0 198.291 1.636 10 0 ADAERN C[C@@H](O)c1noc([C@H]2CCCOC2)n1 168918897 344339414 /nfs/dbraw/zinc/33/94/14/344339414.db2.gz VUSXPBCZQDTEPZ-RQJHMYQMSA-N 0 0 198.222 1.017 10 0 ADAERN C[C@H](O)c1noc(C2CCC2)n1 168909524 344339427 /nfs/dbraw/zinc/33/94/27/344339427.db2.gz CWFPCOCTOAITOZ-YFKPBYRVSA-N 0 0 168.196 1.390 10 0 ADAERN Cc1cccnc1NCC1(CO)CC1 168893827 344339430 /nfs/dbraw/zinc/33/94/30/344339430.db2.gz YETJJFYJBXUPBF-UHFFFAOYSA-N 0 0 192.262 1.574 10 0 ADAERN Cc1cc(-c2nc([C@@H](C)O)no2)co1 168900674 344339444 /nfs/dbraw/zinc/33/94/44/344339444.db2.gz SPTCRCCTPRWDEJ-ZCFIWIBFSA-N 0 0 194.190 1.691 10 0 ADAERN C[C@@H](O)c1noc(-c2ccoc2)n1 168895514 344339447 /nfs/dbraw/zinc/33/94/47/344339447.db2.gz OBVAWYHBRNPERK-RXMQYKEDSA-N 0 0 180.163 1.383 10 0 ADAERN Cc1ccoc1-c1nc([C@@H](C)O)no1 168916732 344339484 /nfs/dbraw/zinc/33/94/84/344339484.db2.gz VFLQSXAZQXDISI-ZCFIWIBFSA-N 0 0 194.190 1.691 10 0 ADAERN C[C@H](O)c1noc(-c2ccco2)n1 168915311 344339487 /nfs/dbraw/zinc/33/94/87/344339487.db2.gz MFSIJESKYLKJKU-YFKPBYRVSA-N 0 0 180.163 1.383 10 0 ADAERN Cc1cc(-c2nc([C@H](C)O)no2)co1 168900757 344339494 /nfs/dbraw/zinc/33/94/94/344339494.db2.gz SPTCRCCTPRWDEJ-LURJTMIESA-N 0 0 194.190 1.691 10 0 ADAERN C[C@@H](O)c1noc(C2CCC2)n1 168909621 344339507 /nfs/dbraw/zinc/33/95/07/344339507.db2.gz CWFPCOCTOAITOZ-RXMQYKEDSA-N 0 0 168.196 1.390 10 0 ADAERN Cc1ccoc1-c1nc([C@H](C)O)no1 168916828 344339538 /nfs/dbraw/zinc/33/95/38/344339538.db2.gz VFLQSXAZQXDISI-LURJTMIESA-N 0 0 194.190 1.691 10 0 ADAERN C[C@H](O)c1noc([C@H]2CCCOC2)n1 168918801 344339595 /nfs/dbraw/zinc/33/95/95/344339595.db2.gz VUSXPBCZQDTEPZ-BQBZGAKWSA-N 0 0 198.222 1.017 10 0 ADAERN C[C@@H](O)c1noc(-c2ccco2)n1 168915405 344339614 /nfs/dbraw/zinc/33/96/14/344339614.db2.gz MFSIJESKYLKJKU-RXMQYKEDSA-N 0 0 180.163 1.383 10 0 ADAERN C[C@@H](O)c1noc([C@@H]2CCCOC2)n1 168918711 344339646 /nfs/dbraw/zinc/33/96/46/344339646.db2.gz VUSXPBCZQDTEPZ-RNFRBKRXSA-N 0 0 198.222 1.017 10 0 ADAERN C[C@H](O)c1noc(-c2ccoc2)n1 168895428 344339654 /nfs/dbraw/zinc/33/96/54/344339654.db2.gz OBVAWYHBRNPERK-YFKPBYRVSA-N 0 0 180.163 1.383 10 0 ADAERN C[C@H](O)c1noc([C@@H]2CCCOC2)n1 168918618 344339677 /nfs/dbraw/zinc/33/96/77/344339677.db2.gz VUSXPBCZQDTEPZ-NKWVEPMBSA-N 0 0 198.222 1.017 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc([C@@H](C)O)no2)O1 168932799 344340340 /nfs/dbraw/zinc/34/03/40/344340340.db2.gz VTPZEKFMCOIOET-QYNIQEEDSA-N 0 0 198.222 1.363 10 0 ADAERN C[C@@H]1CC[C@H](c2nc([C@@H](C)O)no2)O1 168932613 344340418 /nfs/dbraw/zinc/34/04/18/344340418.db2.gz VTPZEKFMCOIOET-FSDSQADBSA-N 0 0 198.222 1.363 10 0 ADAERN Cc1nn(-c2cccnc2)cc1N 168933496 344340450 /nfs/dbraw/zinc/34/04/50/344340450.db2.gz KEYLLEXJOAVPAV-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN FC(F)(F)c1nnc(Cl)o1 168954869 344341110 /nfs/dbraw/zinc/34/11/10/344341110.db2.gz GXQQUCAGFQZPFH-UHFFFAOYSA-N 0 0 172.493 1.742 10 0 ADAERN NC(=O)C1CC(c2ccccc2)C1 168975993 344341357 /nfs/dbraw/zinc/34/13/57/344341357.db2.gz WAKQEMWWRWOGNV-UHFFFAOYSA-N 0 0 175.231 1.666 10 0 ADAERN CC[C@@H](O)[C@H](C)C1CC1 169107831 344345967 /nfs/dbraw/zinc/34/59/67/344345967.db2.gz DMYWFHDVPAWJED-HTRCEHHLSA-N 0 0 128.215 1.803 10 0 ADAERN c1n[nH]cc1NC[C@@H]1CCCO1 168982004 344341397 /nfs/dbraw/zinc/34/13/97/344341397.db2.gz SOLNQMZEGQXHQD-QMMMGPOBSA-N 0 0 167.212 1.001 10 0 ADAERN c1n[nH]cc1NC[C@H]1CCCO1 168982063 344341452 /nfs/dbraw/zinc/34/14/52/344341452.db2.gz SOLNQMZEGQXHQD-MRVPVSSYSA-N 0 0 167.212 1.001 10 0 ADAERN ONc1nncc2ccccc12 168972530 344341544 /nfs/dbraw/zinc/34/15/44/344341544.db2.gz WLQFUSYDKWCPLJ-UHFFFAOYSA-N 0 0 161.164 1.431 10 0 ADAERN COc1ccccc1ONC(C)=O 168973567 344341594 /nfs/dbraw/zinc/34/15/94/344341594.db2.gz CVHHTMPXCYSBNC-UHFFFAOYSA-N 0 0 181.191 1.125 10 0 ADAERN Cc1c(N)cnn1-c1cccnc1 169004836 344342035 /nfs/dbraw/zinc/34/20/35/344342035.db2.gz JBQAAQLQKLIMDM-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCOC(=O)[C@@H](CC1CC1)C(C)=O 168998256 344342125 /nfs/dbraw/zinc/34/21/25/344342125.db2.gz WEIQIGQYBSXCLG-VIFPVBQESA-N 0 0 184.235 1.555 10 0 ADAERN CNc1ccc(C(N)=S)c(F)c1 169002908 344342173 /nfs/dbraw/zinc/34/21/73/344342173.db2.gz BYRBVBHWILILNN-UHFFFAOYSA-N 0 0 184.239 1.502 10 0 ADAERN CCOC(=O)[C@H](CC1CC1)C(C)=O 168998356 344342177 /nfs/dbraw/zinc/34/21/77/344342177.db2.gz WEIQIGQYBSXCLG-SECBINFHSA-N 0 0 184.235 1.555 10 0 ADAERN CCNc1ccc(C(N)=S)c(F)c1 169003121 344342189 /nfs/dbraw/zinc/34/21/89/344342189.db2.gz TXSDLOZFBYPVKD-UHFFFAOYSA-N 0 0 198.266 1.892 10 0 ADAERN CC1(C)CC[C@]2(C1)NC(=S)NC2=O 169010009 344342408 /nfs/dbraw/zinc/34/24/08/344342408.db2.gz YFSRFCJLZLYABX-SECBINFHSA-N 0 0 198.291 1.351 10 0 ADAERN CC(C)C[C@@]1(C)NC(=S)NC1=O 169009291 344342496 /nfs/dbraw/zinc/34/24/96/344342496.db2.gz WIGPRBZJJARDNC-MRVPVSSYSA-N 0 0 186.280 1.207 10 0 ADAERN CC(C)C[C@]1(C)NC(=S)NC1=O 169009372 344342499 /nfs/dbraw/zinc/34/24/99/344342499.db2.gz WIGPRBZJJARDNC-QMMMGPOBSA-N 0 0 186.280 1.207 10 0 ADAERN CCOC(=O)Cc1cc(N)ccc1C 169024454 344342688 /nfs/dbraw/zinc/34/26/88/344342688.db2.gz IFMXZOSNGLXUHE-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN CC1(C)CC[C@@]2(C1)NC(=S)NC2=O 169010084 344342738 /nfs/dbraw/zinc/34/27/38/344342738.db2.gz YFSRFCJLZLYABX-VIFPVBQESA-N 0 0 198.291 1.351 10 0 ADAERN CS[C@@H](C)CNc1ncncc1N 169039085 344342877 /nfs/dbraw/zinc/34/28/77/344342877.db2.gz YOCPWQZCTRXZJS-LURJTMIESA-N 0 0 198.295 1.222 10 0 ADAERN NN[C@@H](C1CCCC1)C(F)(F)F 169037644 344343027 /nfs/dbraw/zinc/34/30/27/344343027.db2.gz KPSQBCVMDXRYSD-LURJTMIESA-N 0 0 182.189 1.571 10 0 ADAERN CCCCNC(=O)N1CCC1 169026106 344343029 /nfs/dbraw/zinc/34/30/29/344343029.db2.gz HNQXPMIGPUDCHU-UHFFFAOYSA-N 0 0 156.229 1.202 10 0 ADAERN CC1(C)C(=O)N[C@@H]1c1ccoc1 169043138 344343063 /nfs/dbraw/zinc/34/30/63/344343063.db2.gz NLJPMZXNNHTBCH-SSDOTTSWSA-N 0 0 165.192 1.477 10 0 ADAERN CS[C@@H](C)CNc1cccnc1N 169043555 344343097 /nfs/dbraw/zinc/34/30/97/344343097.db2.gz FWKZALKTIYPEAS-ZETCQYMHSA-N 0 0 197.307 1.827 10 0 ADAERN CS[C@H](C)CNc1cccnc1N 169043630 344343106 /nfs/dbraw/zinc/34/31/06/344343106.db2.gz FWKZALKTIYPEAS-SSDOTTSWSA-N 0 0 197.307 1.827 10 0 ADAERN CCC1(CC)C[C@@H](NC(C)=O)CCO1 169048007 344343111 /nfs/dbraw/zinc/34/31/11/344343111.db2.gz ZRUCSTBMEBQERQ-JTQLQIEISA-N 0 0 199.294 1.860 10 0 ADAERN CS[C@H](C)CNc1ncncc1N 169039167 344343118 /nfs/dbraw/zinc/34/31/18/344343118.db2.gz YOCPWQZCTRXZJS-ZCFIWIBFSA-N 0 0 198.295 1.222 10 0 ADAERN CC1(C)C(=O)N[C@H]1c1ccoc1 169043052 344343154 /nfs/dbraw/zinc/34/31/54/344343154.db2.gz NLJPMZXNNHTBCH-ZETCQYMHSA-N 0 0 165.192 1.477 10 0 ADAERN NN[C@H](c1ccsc1)C(F)(F)F 169034432 344343155 /nfs/dbraw/zinc/34/31/55/344343155.db2.gz WXUCXOXSSJGCFY-RXMQYKEDSA-N 0 0 196.197 1.815 10 0 ADAERN NN[C@H](C1CCCC1)C(F)(F)F 169037741 344343159 /nfs/dbraw/zinc/34/31/59/344343159.db2.gz KPSQBCVMDXRYSD-ZCFIWIBFSA-N 0 0 182.189 1.571 10 0 ADAERN NN[C@@H](c1ccsc1)C(F)(F)F 169034339 344343164 /nfs/dbraw/zinc/34/31/64/344343164.db2.gz WXUCXOXSSJGCFY-YFKPBYRVSA-N 0 0 196.197 1.815 10 0 ADAERN CCC1(CC)C[C@H](NC(C)=O)CCO1 169047919 344343166 /nfs/dbraw/zinc/34/31/66/344343166.db2.gz ZRUCSTBMEBQERQ-SNVBAGLBSA-N 0 0 199.294 1.860 10 0 ADAERN Cc1ccc(F)cc1N1CCNC1=O 169072817 344343317 /nfs/dbraw/zinc/34/33/17/344343317.db2.gz CUXUDCYKXIFONT-UHFFFAOYSA-N 0 0 194.209 1.664 10 0 ADAERN CCc1ccccc1N1CCNC1=O 169070447 344343322 /nfs/dbraw/zinc/34/33/22/344343322.db2.gz YNQQOKWWNHPTNL-UHFFFAOYSA-N 0 0 190.246 1.779 10 0 ADAERN CC(C)[C@H](NN)C(F)(F)F 169052224 344343345 /nfs/dbraw/zinc/34/33/45/344343345.db2.gz DGCLQRYQQNHVRA-BYPYZUCNSA-N 0 0 156.151 1.037 10 0 ADAERN Cc1c(O)cccc1C(=O)NC1CC1 169070401 344343349 /nfs/dbraw/zinc/34/33/49/344343349.db2.gz HMXPZLIKANYXOI-UHFFFAOYSA-N 0 0 191.230 1.593 10 0 ADAERN O=C1NCCN1c1ccccc1Cl 169071579 344343414 /nfs/dbraw/zinc/34/34/14/344343414.db2.gz YCNBIBMMYCVFDJ-UHFFFAOYSA-N 0 0 196.637 1.870 10 0 ADAERN Cc1nc2ccc(Cl)cn2n1 169071951 344343450 /nfs/dbraw/zinc/34/34/50/344343450.db2.gz KEXAFWDRWRMMQH-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN O=C1NCCN1c1ccc(F)cc1F 169071077 344343459 /nfs/dbraw/zinc/34/34/59/344343459.db2.gz SIFOTWMXKFTRFR-UHFFFAOYSA-N 0 0 198.172 1.494 10 0 ADAERN Cc1ccc(C)c(N2CCNC2=O)c1 169070218 344343462 /nfs/dbraw/zinc/34/34/62/344343462.db2.gz NWQYLOXMAOQGRU-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN Cc1c(O)cccc1C(=O)NC(C)C 169069532 344343469 /nfs/dbraw/zinc/34/34/69/344343469.db2.gz JURZUPHAGMWQPC-UHFFFAOYSA-N 0 0 193.246 1.839 10 0 ADAERN C[C@H]1CCCC[C@@H]1N1CCNC1=O 169072262 344343482 /nfs/dbraw/zinc/34/34/82/344343482.db2.gz ZMIYUSYKPUYRAZ-IUCAKERBSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1cc(C)cc(N2CCNC2=O)c1 169072719 344343494 /nfs/dbraw/zinc/34/34/94/344343494.db2.gz BVCTZHSQKSKINX-UHFFFAOYSA-N 0 0 190.246 1.833 10 0 ADAERN CCc1cccc(N2CCNC2=O)c1 169072083 344343500 /nfs/dbraw/zinc/34/35/00/344343500.db2.gz RAPIIOMUMVWAFM-UHFFFAOYSA-N 0 0 190.246 1.779 10 0 ADAERN Cc1cc(F)ccc1N1CCNC1=O 169070720 344343505 /nfs/dbraw/zinc/34/35/05/344343505.db2.gz XGYBGYSMBLTJDA-UHFFFAOYSA-N 0 0 194.209 1.664 10 0 ADAERN CCONC(=O)c1cccc(O)c1C 169070844 344343507 /nfs/dbraw/zinc/34/35/07/344343507.db2.gz CWPZDRCGAASICK-UHFFFAOYSA-N 0 0 195.218 1.382 10 0 ADAERN C[NH2+][C@H](C)C(=O)C1CCCC1 169052790 344343513 /nfs/dbraw/zinc/34/35/13/344343513.db2.gz JUKODHPDYBLLJZ-SSDOTTSWSA-N 0 0 155.241 1.354 10 0 ADAERN Nc1cn(-c2cccnc2)nc1Cl 169068385 344343517 /nfs/dbraw/zinc/34/35/17/344343517.db2.gz MXERTNXQEMIYGL-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN S=c1cc[nH]c2cccnc12 169072431 344343587 /nfs/dbraw/zinc/34/35/87/344343587.db2.gz SGHZZKBRDXCNBN-UHFFFAOYSA-N 0 0 162.217 1.919 10 0 ADAERN C[NH2+][C@@H](C)C(=O)C1CCCC1 169052723 344343598 /nfs/dbraw/zinc/34/35/98/344343598.db2.gz JUKODHPDYBLLJZ-ZETCQYMHSA-N 0 0 155.241 1.354 10 0 ADAERN CON(C)C(=O)c1cccc(O)c1C 169069733 344343629 /nfs/dbraw/zinc/34/36/29/344343629.db2.gz ONHWMIYOHICBBD-UHFFFAOYSA-N 0 0 195.218 1.334 10 0 ADAERN CC(C)[C@@H](NN)C(F)(F)F 169052309 344343667 /nfs/dbraw/zinc/34/36/67/344343667.db2.gz DGCLQRYQQNHVRA-SCSAIBSYSA-N 0 0 156.151 1.037 10 0 ADAERN C[C@H]1CCC[C@@H](N2CCNC2=O)C1 169080760 344343848 /nfs/dbraw/zinc/34/38/48/344343848.db2.gz LZJZPDQYLWOUBB-DTWKUNHWSA-N 0 0 182.267 1.590 10 0 ADAERN CCC[C@@H](C)N1CCNC1=O 169075891 344343865 /nfs/dbraw/zinc/34/38/65/344343865.db2.gz HEOPNLCEQRHMSR-SSDOTTSWSA-N 0 0 156.229 1.200 10 0 ADAERN CC(C)(C)[C@H](NN)C(F)(F)F 169078038 344343867 /nfs/dbraw/zinc/34/38/67/344343867.db2.gz HXCLNDZTELZCAA-BYPYZUCNSA-N 0 0 170.178 1.427 10 0 ADAERN NN[C@H](C1CCC1)C(F)(F)F 169079572 344343873 /nfs/dbraw/zinc/34/38/73/344343873.db2.gz OXQMRHGLHMNLOE-RXMQYKEDSA-N 0 0 168.162 1.181 10 0 ADAERN C[C@@H]1CCC[C@H](N2CCNC2=O)C1 169080525 344343927 /nfs/dbraw/zinc/34/39/27/344343927.db2.gz LZJZPDQYLWOUBB-BDAKNGLRSA-N 0 0 182.267 1.590 10 0 ADAERN O=C1NCCN1c1cc(F)ccc1F 169075447 344343930 /nfs/dbraw/zinc/34/39/30/344343930.db2.gz IDYXCVMDUMEUNK-UHFFFAOYSA-N 0 0 198.172 1.494 10 0 ADAERN C[C@@H](c1ccncc1)N1CCNC1=O 169081801 344343933 /nfs/dbraw/zinc/34/39/33/344343933.db2.gz PTAYULIOZQTYLA-QMMMGPOBSA-N 0 0 191.234 1.168 10 0 ADAERN C[C@H](c1cccnc1)N1CCNC1=O 169081374 344343952 /nfs/dbraw/zinc/34/39/52/344343952.db2.gz CXOPDUWAFQNUTM-MRVPVSSYSA-N 0 0 191.234 1.168 10 0 ADAERN CCCCCCn1ccc(N)nc1=O 169085041 344344010 /nfs/dbraw/zinc/34/40/10/344344010.db2.gz CLQJIQYAEDEGOV-UHFFFAOYSA-N 0 0 195.266 1.406 10 0 ADAERN CC(C)(C)CN1CCNC1=O 169085786 344344019 /nfs/dbraw/zinc/34/40/19/344344019.db2.gz BJVOIRMVYXTFAS-UHFFFAOYSA-N 0 0 156.229 1.058 10 0 ADAERN C[C@@H](c1cccnc1)N1CCNC1=O 169081292 344344029 /nfs/dbraw/zinc/34/40/29/344344029.db2.gz CXOPDUWAFQNUTM-QMMMGPOBSA-N 0 0 191.234 1.168 10 0 ADAERN 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IWSRAAHHVPGUPV-SECBINFHSA-N 0 0 180.251 1.510 10 0 ADAERN O=C1NCCCN1Cc1cscn1 169171818 344347825 /nfs/dbraw/zinc/34/78/25/344347825.db2.gz FGQRTAFVENYJMQ-UHFFFAOYSA-N 0 0 197.263 1.058 10 0 ADAERN O=C1NCCCN1CCC1CC1 169180425 344347845 /nfs/dbraw/zinc/34/78/45/344347845.db2.gz WKNMOUDVVUPOOO-UHFFFAOYSA-N 0 0 168.240 1.202 10 0 ADAERN O=C1NCCCN1CCC(F)(F)F 169168498 344347868 /nfs/dbraw/zinc/34/78/68/344347868.db2.gz FWOUFZGDKDUGEP-UHFFFAOYSA-N 0 0 196.172 1.354 10 0 ADAERN C[C@H]1CCC[C@@H]1N1CCCNC1=O 169171225 344347886 /nfs/dbraw/zinc/34/78/86/344347886.db2.gz PUJMCMFFQFCTMC-IUCAKERBSA-N 0 0 182.267 1.590 10 0 ADAERN CC1(C)CCC[C@H]1N1CCCNC1=O 169183485 344347893 /nfs/dbraw/zinc/34/78/93/344347893.db2.gz JJKBTEOEOPSIBZ-SECBINFHSA-N 0 0 196.294 1.980 10 0 ADAERN O=C1NCCCN1Cc1ccsc1 169169077 344347906 /nfs/dbraw/zinc/34/79/06/344347906.db2.gz KCFOLGCCDGBHEV-UHFFFAOYSA-N 0 0 196.275 1.663 10 0 ADAERN CC1(C)CCC[C@@H]1N1CCCNC1=O 169183406 344347910 /nfs/dbraw/zinc/34/79/10/344347910.db2.gz JJKBTEOEOPSIBZ-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN O=C1NCCCN1c1ccsc1 169181822 344347931 /nfs/dbraw/zinc/34/79/31/344347931.db2.gz KSVNDQMHKYYHMY-UHFFFAOYSA-N 0 0 182.248 1.668 10 0 ADAERN CCOC1CC(Nc2cn[nH]c2)C1 169178010 344347937 /nfs/dbraw/zinc/34/79/37/344347937.db2.gz USXLVWOZOSLSMM-UHFFFAOYSA-N 0 0 181.239 1.389 10 0 ADAERN C[C@@H]1CCC[C@H]1N1CCCNC1=O 169171308 344347941 /nfs/dbraw/zinc/34/79/41/344347941.db2.gz PUJMCMFFQFCTMC-RKDXNWHRSA-N 0 0 182.267 1.590 10 0 ADAERN O=C([O-])C[NH2+][C@H]1CCCc2occc21 169194466 344348202 /nfs/dbraw/zinc/34/82/02/344348202.db2.gz DLWIGJJLXNFUEY-QMMMGPOBSA-N 0 0 195.218 1.331 10 0 ADAERN O=C([O-])C[NH2+][C@@H]1CCCc2occc21 169194392 344348265 /nfs/dbraw/zinc/34/82/65/344348265.db2.gz DLWIGJJLXNFUEY-MRVPVSSYSA-N 0 0 195.218 1.331 10 0 ADAERN Fc1ccc(O[C@@H]2CCOC2)cn1 169199480 344348290 /nfs/dbraw/zinc/34/82/90/344348290.db2.gz SSLLYNQYZGFEIY-MRVPVSSYSA-N 0 0 183.182 1.388 10 0 ADAERN Fc1ccc(O[C@H]2CCOC2)cn1 169199551 344348303 /nfs/dbraw/zinc/34/83/03/344348303.db2.gz SSLLYNQYZGFEIY-QMMMGPOBSA-N 0 0 183.182 1.388 10 0 ADAERN C[NH2+]C(C)(C)C(=O)c1cccnc1 169187339 344348523 /nfs/dbraw/zinc/34/85/23/344348523.db2.gz NYHNNRJOOMGHPJ-UHFFFAOYSA-N 0 0 178.235 1.262 10 0 ADAERN O[C@@H](c1cncnc1)[C@H]1CCCCO1 169228179 344348762 /nfs/dbraw/zinc/34/87/62/344348762.db2.gz UNZPZEHQURGYAP-ZJUUUORDSA-N 0 0 194.234 1.079 10 0 ADAERN Fc1ccc(OCc2ncon2)cn1 169209708 344348782 /nfs/dbraw/zinc/34/87/82/344348782.db2.gz AEFFPISCYGJSGP-UHFFFAOYSA-N 0 0 195.153 1.183 10 0 ADAERN Cc1ccn(-c2cccnc2C)n1 169224359 344348838 /nfs/dbraw/zinc/34/88/38/344348838.db2.gz RWQPFYAYNQPZRJ-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CCc1ncccc1C(C)=O 169213053 344348844 /nfs/dbraw/zinc/34/88/44/344348844.db2.gz WLMSNMGGIQCGKW-UHFFFAOYSA-N 0 0 149.193 1.847 10 0 ADAERN Fc1ccc(OCC(F)F)cn1 169213134 344348852 /nfs/dbraw/zinc/34/88/52/344348852.db2.gz MBSBRKIKDJWCEY-UHFFFAOYSA-N 0 0 177.125 1.865 10 0 ADAERN O[C@H](c1cncnc1)[C@H]1CCCCO1 169228260 344348879 /nfs/dbraw/zinc/34/88/79/344348879.db2.gz UNZPZEHQURGYAP-NXEZZACHSA-N 0 0 194.234 1.079 10 0 ADAERN Cc1cccc(-n2[nH]c(=O)nc2C)c1 169218292 344348909 /nfs/dbraw/zinc/34/89/09/344348909.db2.gz CWUBVEUJWHMZCU-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN O[C@@H](c1cncnc1)[C@@H]1CCCCO1 169228034 344348962 /nfs/dbraw/zinc/34/89/62/344348962.db2.gz UNZPZEHQURGYAP-UWVGGRQHSA-N 0 0 194.234 1.079 10 0 ADAERN Cc1ccccc1-n1[nH]c(=O)nc1C 169218119 344348970 /nfs/dbraw/zinc/34/89/70/344348970.db2.gz OETIVVGOXZDXFR-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN CNc1cc(-c2cccnc2)nn1C 169216087 344349047 /nfs/dbraw/zinc/34/90/47/344349047.db2.gz LAYSAYXUNIRUQP-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN CCNc1ccn2nccc2n1 169236221 344349240 /nfs/dbraw/zinc/34/92/40/344349240.db2.gz HWMHLBZLTZWXCW-UHFFFAOYSA-N 0 0 162.196 1.161 10 0 ADAERN Cc1cc(F)nc(Cl)n1 169235035 344349255 /nfs/dbraw/zinc/34/92/55/344349255.db2.gz MXNIPJIYBXRTPQ-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN [NH3+][C@@H]1C[C@@H](NO)c2ccccc21 169247061 344349276 /nfs/dbraw/zinc/34/92/76/344349276.db2.gz JLTPTVYUZBCJOK-RKDXNWHRSA-N 0 0 164.208 1.110 10 0 ADAERN CC(C)/C=C/C(=O)N1CCOCC1 169244991 344349294 /nfs/dbraw/zinc/34/92/94/344349294.db2.gz NFRHBLMJJJPADM-ONEGZZNKSA-N 0 0 183.251 1.057 10 0 ADAERN O=c1[nH]c2c(s1)CCc1occc1-2 169232933 344349306 /nfs/dbraw/zinc/34/93/06/344349306.db2.gz YDCKJSKOKGCWQA-UHFFFAOYSA-N 0 0 193.227 1.795 10 0 ADAERN c1cc2nc(NC3CC3)ccn2n1 169235734 344349313 /nfs/dbraw/zinc/34/93/13/344349313.db2.gz VVNDMKCNSSKFHU-UHFFFAOYSA-N 0 0 174.207 1.304 10 0 ADAERN [NH3+][C@H]1C[C@@H](NO)c2ccccc21 169247133 344349322 /nfs/dbraw/zinc/34/93/22/344349322.db2.gz JLTPTVYUZBCJOK-DTWKUNHWSA-N 0 0 164.208 1.110 10 0 ADAERN CCOC[C@]1(O)CCCc2occc21 169239843 344349335 /nfs/dbraw/zinc/34/93/35/344349335.db2.gz BWHGDNRMVWINRE-LLVKDONJSA-N 0 0 196.246 1.840 10 0 ADAERN [NH3+][C@@H]1C[C@H](NO)c2ccccc21 169246904 344349381 /nfs/dbraw/zinc/34/93/81/344349381.db2.gz JLTPTVYUZBCJOK-BDAKNGLRSA-N 0 0 164.208 1.110 10 0 ADAERN C[C@@]1(O)CCCc2occc21 169246116 344349441 /nfs/dbraw/zinc/34/94/41/344349441.db2.gz FEVDAFACXZOIAE-SECBINFHSA-N 0 0 152.193 1.823 10 0 ADAERN [NH3+][C@H]1C[C@H](NO)c2ccccc21 169246970 344349459 /nfs/dbraw/zinc/34/94/59/344349459.db2.gz JLTPTVYUZBCJOK-IUCAKERBSA-N 0 0 164.208 1.110 10 0 ADAERN Cn1cnnc1CC(C)(C)C 169233024 344349558 /nfs/dbraw/zinc/34/95/58/344349558.db2.gz QOIQJVWHQMSKQU-UHFFFAOYSA-N 0 0 153.229 1.404 10 0 ADAERN C[C@]1(O)CCCc2occc21 169246038 344349585 /nfs/dbraw/zinc/34/95/85/344349585.db2.gz FEVDAFACXZOIAE-VIFPVBQESA-N 0 0 152.193 1.823 10 0 ADAERN Nn1cc(-c2cccnc2)nc1Cl 169235913 344349643 /nfs/dbraw/zinc/34/96/43/344349643.db2.gz UFLMIIDWDROWLQ-UHFFFAOYSA-N 0 0 194.625 1.312 10 0 ADAERN CCOC[C@@]1(O)CCCc2occc21 169239922 344349645 /nfs/dbraw/zinc/34/96/45/344349645.db2.gz BWHGDNRMVWINRE-NSHDSACASA-N 0 0 196.246 1.840 10 0 ADAERN CCCNc1ccn2nccc2n1 169235407 344349651 /nfs/dbraw/zinc/34/96/51/344349651.db2.gz FUJSZCNMTRUMNA-UHFFFAOYSA-N 0 0 176.223 1.551 10 0 ADAERN C[C@@H](NN)[C@@H]1CCCc2ccccc21 169266321 344349741 /nfs/dbraw/zinc/34/97/41/344349741.db2.gz KNSVAARTCQXJQO-KOLCDFICSA-N 0 0 190.290 1.958 10 0 ADAERN C[C@@H](O)CC(=O)c1ccc(F)cc1 169262005 344349744 /nfs/dbraw/zinc/34/97/44/344349744.db2.gz CWMOYBHZANAQAW-SSDOTTSWSA-N 0 0 182.194 1.779 10 0 ADAERN Nc1cc2c(nn1)-c1ccoc1CC2 169274663 344349769 /nfs/dbraw/zinc/34/97/69/344349769.db2.gz VFXAFWZZHZMIED-UHFFFAOYSA-N 0 0 187.202 1.417 10 0 ADAERN Cn1cc([C@](C)(O)c2ccoc2)cn1 169251047 344349772 /nfs/dbraw/zinc/34/97/72/344349772.db2.gz JJPCWZKVFLVVSG-SNVBAGLBSA-N 0 0 192.218 1.269 10 0 ADAERN C[C@@](O)(c1ccoc1)[C@H]1CCOC1 169255946 344349794 /nfs/dbraw/zinc/34/97/94/344349794.db2.gz DTEGAXUJJZGKCL-VHSXEESVSA-N 0 0 182.219 1.524 10 0 ADAERN C[C@@H](NN)[C@H]1CCCc2ccccc21 169266476 344349804 /nfs/dbraw/zinc/34/98/04/344349804.db2.gz KNSVAARTCQXJQO-MWLCHTKSSA-N 0 0 190.290 1.958 10 0 ADAERN Nc1nc2c(o1)CCc1occc1-2 169274558 344349811 /nfs/dbraw/zinc/34/98/11/344349811.db2.gz SGAMCRFLECQCKP-UHFFFAOYSA-N 0 0 176.175 1.615 10 0 ADAERN C[C@](O)(c1ccoc1)[C@H]1CCOC1 169256015 344349814 /nfs/dbraw/zinc/34/98/14/344349814.db2.gz DTEGAXUJJZGKCL-UWVGGRQHSA-N 0 0 182.219 1.524 10 0 ADAERN Cc1ncc(NCC2CC2)nc1C 169272594 344349816 /nfs/dbraw/zinc/34/98/16/344349816.db2.gz ZMIMSDWWPHDXLJ-UHFFFAOYSA-N 0 0 177.251 1.915 10 0 ADAERN C[C@](O)(c1ccoc1)[C@@H]1CCOC1 169255878 344349822 /nfs/dbraw/zinc/34/98/22/344349822.db2.gz DTEGAXUJJZGKCL-ZJUUUORDSA-N 0 0 182.219 1.524 10 0 ADAERN Cn1nccc1[C@@](C)(O)c1ccoc1 169266985 344349828 /nfs/dbraw/zinc/34/98/28/344349828.db2.gz QZFCJLIWPJEBMV-JTQLQIEISA-N 0 0 192.218 1.269 10 0 ADAERN CCOC(=O)c1cnc(N)cc1C 169248670 344349836 /nfs/dbraw/zinc/34/98/36/344349836.db2.gz YTKNDZOZVKXNBC-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN Cn1nccc1[C@](C)(O)c1ccoc1 169266912 344349846 /nfs/dbraw/zinc/34/98/46/344349846.db2.gz QZFCJLIWPJEBMV-SNVBAGLBSA-N 0 0 192.218 1.269 10 0 ADAERN CCNc1cnc(C)c(C)n1 169272086 344349865 /nfs/dbraw/zinc/34/98/65/344349865.db2.gz PIMLLFVTRACCNN-UHFFFAOYSA-N 0 0 151.213 1.525 10 0 ADAERN C[C@](O)(c1cncnc1)c1ccoc1 169259035 344349893 /nfs/dbraw/zinc/34/98/93/344349893.db2.gz ARSKRWFYJXRTCO-SNVBAGLBSA-N 0 0 190.202 1.325 10 0 ADAERN C[C@H](NN)[C@@H]1CCCc2ccccc21 169266251 344349913 /nfs/dbraw/zinc/34/99/13/344349913.db2.gz KNSVAARTCQXJQO-ONGXEEELSA-N 0 0 190.290 1.958 10 0 ADAERN Cc1cccc([C@H](NN)C2CC2)n1 169271102 344349924 /nfs/dbraw/zinc/34/99/24/344349924.db2.gz OYXOWGQFRJMUBZ-SNVBAGLBSA-N 0 0 177.251 1.304 10 0 ADAERN Cc1ncc(NC(C)C)nc1C 169269902 344349929 /nfs/dbraw/zinc/34/99/29/344349929.db2.gz KAYUNFVHHMLHFI-UHFFFAOYSA-N 0 0 165.240 1.914 10 0 ADAERN Cn1cc([C@@](C)(O)c2ccoc2)cn1 169251117 344349938 /nfs/dbraw/zinc/34/99/38/344349938.db2.gz JJPCWZKVFLVVSG-JTQLQIEISA-N 0 0 192.218 1.269 10 0 ADAERN C[C@H](NN)c1ccc2ccccc2n1 169254812 344349949 /nfs/dbraw/zinc/34/99/49/344349949.db2.gz ZNDWRCOWFDJIQC-QMMMGPOBSA-N 0 0 187.246 1.759 10 0 ADAERN C[C@H](O)CC(=O)c1ccc(F)cc1 169262092 344349959 /nfs/dbraw/zinc/34/99/59/344349959.db2.gz CWMOYBHZANAQAW-ZETCQYMHSA-N 0 0 182.194 1.779 10 0 ADAERN C[C@H](NN)[C@H]1CCCc2ccccc21 169266401 344349993 /nfs/dbraw/zinc/34/99/93/344349993.db2.gz KNSVAARTCQXJQO-GXSJLCMTSA-N 0 0 190.290 1.958 10 0 ADAERN C[C@@H](NN)c1ccc2ccccc2n1 169254883 344350022 /nfs/dbraw/zinc/35/00/22/344350022.db2.gz ZNDWRCOWFDJIQC-MRVPVSSYSA-N 0 0 187.246 1.759 10 0 ADAERN C[C@](O)(c1ccoc1)C1CCOCC1 169257933 344350068 /nfs/dbraw/zinc/35/00/68/344350068.db2.gz AUQNYXMZAZMVAV-LLVKDONJSA-N 0 0 196.246 1.914 10 0 ADAERN COc1c(O)c(C)c(O)c(C)c1O 169263971 344350080 /nfs/dbraw/zinc/35/00/80/344350080.db2.gz AQGQWNQNYDGXFX-UHFFFAOYSA-N 0 0 184.191 1.429 10 0 ADAERN C[C@@](O)(c1ccoc1)C1CCOCC1 169257856 344350083 /nfs/dbraw/zinc/35/00/83/344350083.db2.gz AUQNYXMZAZMVAV-NSHDSACASA-N 0 0 196.246 1.914 10 0 ADAERN C[C@@](O)(c1cncnc1)c1ccoc1 169259120 344350097 /nfs/dbraw/zinc/35/00/97/344350097.db2.gz ARSKRWFYJXRTCO-JTQLQIEISA-N 0 0 190.202 1.325 10 0 ADAERN Cc1ncc(NC2CC2)nc1C 169270635 344350102 /nfs/dbraw/zinc/35/01/02/344350102.db2.gz ATPWHFCXMLMEOJ-UHFFFAOYSA-N 0 0 163.224 1.668 10 0 ADAERN Cc1cccc([C@@H](NN)C2CC2)n1 169271171 344350105 /nfs/dbraw/zinc/35/01/05/344350105.db2.gz OYXOWGQFRJMUBZ-JTQLQIEISA-N 0 0 177.251 1.304 10 0 ADAERN C[C@](O)(c1ccoc1)c1cnccn1 169251294 344350116 /nfs/dbraw/zinc/35/01/16/344350116.db2.gz BQIAZEZCAZZYGN-JTQLQIEISA-N 0 0 190.202 1.325 10 0 ADAERN C[C@@](O)(c1ccoc1)c1cnccn1 169251218 344350130 /nfs/dbraw/zinc/35/01/30/344350130.db2.gz BQIAZEZCAZZYGN-SNVBAGLBSA-N 0 0 190.202 1.325 10 0 ADAERN CCCNc1cnc(C)c(C)n1 169269815 344350135 /nfs/dbraw/zinc/35/01/35/344350135.db2.gz AYBQVFYLSZOPBK-UHFFFAOYSA-N 0 0 165.240 1.915 10 0 ADAERN C[C@@](O)(c1ccoc1)[C@@H]1CCOC1 169255793 344350145 /nfs/dbraw/zinc/35/01/45/344350145.db2.gz DTEGAXUJJZGKCL-NXEZZACHSA-N 0 0 182.219 1.524 10 0 ADAERN CNc1n[nH]c2c1CCc1occc1-2 169276655 344350291 /nfs/dbraw/zinc/35/02/91/344350291.db2.gz UWBZUBVKQQBYSY-UHFFFAOYSA-N 0 0 189.218 1.810 10 0 ADAERN O=C1C[C@@]2(CCCc3occc32)CN1 169286920 344350298 /nfs/dbraw/zinc/35/02/98/344350298.db2.gz TZQBESNOFBPYQZ-NSHDSACASA-N 0 0 191.230 1.374 10 0 ADAERN C[C@H]1Cc2cccc(C(N)=O)c2O1 169348781 344350395 /nfs/dbraw/zinc/35/03/95/344350395.db2.gz JKXUEKXDADMQFP-LURJTMIESA-N 0 0 177.203 1.109 10 0 ADAERN CCCC(=O)N1CC(C)C1 169281655 344350426 /nfs/dbraw/zinc/35/04/26/344350426.db2.gz WFVOVLOEUQCCCG-UHFFFAOYSA-N 0 0 141.214 1.265 10 0 ADAERN CC[C@H](CO)Nc1cnc(C)c(C)n1 169280088 344350430 /nfs/dbraw/zinc/35/04/30/344350430.db2.gz YSNHQENNGLAQMF-SECBINFHSA-N 0 0 195.266 1.276 10 0 ADAERN O=C1C[C@]2(CCCc3occc32)CN1 169286993 344350489 /nfs/dbraw/zinc/35/04/89/344350489.db2.gz TZQBESNOFBPYQZ-LLVKDONJSA-N 0 0 191.230 1.374 10 0 ADAERN CC1CN(C(=O)c2ccccc2)C1 169281410 344350555 /nfs/dbraw/zinc/35/05/55/344350555.db2.gz NOIZETYWJKQPPY-UHFFFAOYSA-N 0 0 175.231 1.779 10 0 ADAERN CC1(C)N(O)C(=O)N(O)C1(C)C 169533268 344350760 /nfs/dbraw/zinc/35/07/60/344350760.db2.gz ZMFWHBRLHWLCBH-UHFFFAOYSA-N 0 0 174.200 1.060 10 0 ADAERN C[S@](=O)c1ccc(F)c(F)c1 169462829 344350762 /nfs/dbraw/zinc/35/07/62/344350762.db2.gz CQBXZRAYASKEDA-NSHDSACASA-N 0 0 176.187 1.702 10 0 ADAERN Oc1ccccc1C1=NCCCO1 169389839 344350806 /nfs/dbraw/zinc/35/08/06/344350806.db2.gz RTMJUNBGVDHELM-UHFFFAOYSA-N 0 0 177.203 1.559 10 0 ADAERN OCP(CO)C1CCCCC1 169461537 344350846 /nfs/dbraw/zinc/35/08/46/344350846.db2.gz BGOZPQISPONAKY-UHFFFAOYSA-N 0 0 176.196 1.701 10 0 ADAERN C[S@@](=O)c1ccc(F)c(F)c1 169462821 344350860 /nfs/dbraw/zinc/35/08/60/344350860.db2.gz CQBXZRAYASKEDA-LLVKDONJSA-N 0 0 176.187 1.702 10 0 ADAERN Cc1cccc(C)c1-n1cnnc1 169521401 344350991 /nfs/dbraw/zinc/35/09/91/344350991.db2.gz OUIGLUBSHYAQLV-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN C/C(=N\NC=O)c1ccc(Cl)cc1 169394940 344351005 /nfs/dbraw/zinc/35/10/05/344351005.db2.gz KBTDBHOLXINVIB-KPKJPENVSA-N 0 0 196.637 1.810 10 0 ADAERN CCN(CC)C(=O)n1nc(C)cc1C 169387615 344351027 /nfs/dbraw/zinc/35/10/27/344351027.db2.gz PLMWSKCRRSOKHO-UHFFFAOYSA-N 0 0 195.266 1.810 10 0 ADAERN Cc1cn2cccc2c(=O)o1 169661985 344351388 /nfs/dbraw/zinc/35/13/88/344351388.db2.gz KXSQOAJHQJAJRQ-UHFFFAOYSA-N 0 0 149.149 1.201 10 0 ADAERN O=C1CCN(C(=O)c2cccs2)C1 169803295 344352510 /nfs/dbraw/zinc/35/25/10/344352510.db2.gz CHUSHMWPAKYRBF-UHFFFAOYSA-N 0 0 195.243 1.163 10 0 ADAERN C[Si](C)(C)c1ccncc1 169954585 344352888 /nfs/dbraw/zinc/35/28/88/344352888.db2.gz PYUVWRKNVLSJJE-UHFFFAOYSA-N 0 0 151.285 1.627 10 0 ADAERN O=C(Nc1cn[nH]n1)c1cccs1 170208995 344353132 /nfs/dbraw/zinc/35/31/32/344353132.db2.gz DEMAUULLPFOOBJ-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN CNC(=O)c1cc2sccc2[nH]1 170237253 344353164 /nfs/dbraw/zinc/35/31/64/344353164.db2.gz DXMMTCUJFVWMFM-UHFFFAOYSA-N 0 0 180.232 1.589 10 0 ADAERN CCC(=O)N1C[C@@H]2CC=CC[C@H]2C1 170210521 344353199 /nfs/dbraw/zinc/35/31/99/344353199.db2.gz QAUFICVNDRZCKV-UWVGGRQHSA-N 0 0 179.263 1.821 10 0 ADAERN CCC(=O)N1C[C@H]2CC=CC[C@@H]2C1 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206733183 344375703 /nfs/dbraw/zinc/37/57/03/344375703.db2.gz TXCICXYGWQENHO-UHFFFAOYSA-N 0 0 199.217 1.656 10 0 ADAERN CC[C@@H](Cn1ccnc1)OC(C)=O 207012603 344375704 /nfs/dbraw/zinc/37/57/04/344375704.db2.gz ZWCORAYIDWKDSG-VIFPVBQESA-N 0 0 182.223 1.225 10 0 ADAERN Cc1[nH]nc2cnc(-c3cn[nH]c3)cc12 206733126 344375708 /nfs/dbraw/zinc/37/57/08/344375708.db2.gz MPJZDLDOQBVNLJ-UHFFFAOYSA-N 0 0 199.217 1.656 10 0 ADAERN CC(=O)[C@@]1(C)C(=O)Nc2ccccc21 206775241 344375712 /nfs/dbraw/zinc/37/57/12/344375712.db2.gz TZQXIFUWPPSARQ-LLVKDONJSA-N 0 0 189.214 1.485 10 0 ADAERN CC(=O)N[C@@H]1C[C@H]1C(C)C 206549935 344375722 /nfs/dbraw/zinc/37/57/22/344375722.db2.gz BFKBGKMIKWICSJ-JGVFFNPUSA-N 0 0 141.214 1.167 10 0 ADAERN COc1cc(CO)c(F)cc1Cl 206823682 344375727 /nfs/dbraw/zinc/37/57/27/344375727.db2.gz MXARVJRNGRVECY-UHFFFAOYSA-N 0 0 190.601 1.980 10 0 ADAERN CCOC(=O)[C@@H](C/C=C/OC)OC 207208787 344375923 /nfs/dbraw/zinc/37/59/23/344375923.db2.gz NTZBQSRHIJIFJP-WVXIBAHESA-N 0 0 188.223 1.115 10 0 ADAERN C/C=C\[C@H](C)[C@H](O)CC 207579628 344376081 /nfs/dbraw/zinc/37/60/81/344376081.db2.gz DINWILSXOCSKME-VFYBFDEHSA-N 0 0 128.215 1.970 10 0 ADAERN COC(=O)/C=C\c1ccc(C=O)o1 207570313 344376129 /nfs/dbraw/zinc/37/61/29/344376129.db2.gz FFLWSNRTEOHONR-PLNGDYQASA-N 0 0 180.159 1.278 10 0 ADAERN CCOC(=O)[C@H](C/C=C/OC)OC 207208871 344376187 /nfs/dbraw/zinc/37/61/87/344376187.db2.gz NTZBQSRHIJIFJP-IVGLGHLBSA-N 0 0 188.223 1.115 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)C 208561684 344376376 /nfs/dbraw/zinc/37/63/76/344376376.db2.gz HBPVSGFYSXRNLX-YUMQZZPRSA-N 0 0 155.241 1.367 10 0 ADAERN COC(=O)CC1(CC(C)=O)CC1 208149823 344376450 /nfs/dbraw/zinc/37/64/50/344376450.db2.gz KASVPYCMGTUPGP-UHFFFAOYSA-N 0 0 170.208 1.309 10 0 ADAERN CC(C)[C@@H]1C[C@H]1C(=O)N(C)C 208561723 344376472 /nfs/dbraw/zinc/37/64/72/344376472.db2.gz HBPVSGFYSXRNLX-JGVFFNPUSA-N 0 0 155.241 1.367 10 0 ADAERN C=Cc1ncncc1F 207662877 344376632 /nfs/dbraw/zinc/37/66/32/344376632.db2.gz IZSALEFPTLUKNY-UHFFFAOYSA-N 0 0 124.118 1.259 10 0 ADAERN CNC(=O)[C@@H]1C[C@H]1C(C)C 208561912 344376699 /nfs/dbraw/zinc/37/66/99/344376699.db2.gz LDXAEZVGDLIHET-NKWVEPMBSA-N 0 0 141.214 1.025 10 0 ADAERN CC(C)/C=C\C[C@H](C)O 209349553 344376887 /nfs/dbraw/zinc/37/68/87/344376887.db2.gz DDCSBNXVMSWZLW-LGYSABEFSA-N 0 0 128.215 1.970 10 0 ADAERN CC(C)/C=C\C[C@@H](C)O 209349518 344377039 /nfs/dbraw/zinc/37/70/39/344377039.db2.gz DDCSBNXVMSWZLW-PULIVWKDSA-N 0 0 128.215 1.970 10 0 ADAERN C/C=C\CS(=O)(=O)CCCC 211170478 344377279 /nfs/dbraw/zinc/37/72/79/344377279.db2.gz FFJHQNOESHLPAS-HYXAFXHYSA-N 0 0 176.281 1.777 10 0 ADAERN C=CC1=CC[C@@H](C)[C@@H]1O 211252369 344377625 /nfs/dbraw/zinc/37/76/25/344377625.db2.gz QTUSJWSQZDDFLY-SVRRBLITSA-N 0 0 124.183 1.500 10 0 ADAERN O=C1CC[C@@H](CCc2ccccc2)N1 211523683 344378313 /nfs/dbraw/zinc/37/83/13/344378313.db2.gz HCPAXVZLBNSHOK-LLVKDONJSA-N 0 0 189.258 1.898 10 0 ADAERN C[Si](C)(C)COCCCCO 211577394 344378339 /nfs/dbraw/zinc/37/83/39/344378339.db2.gz QIXFLGDHPRQTOF-UHFFFAOYSA-N 0 0 176.332 1.653 10 0 ADAERN CCn1cc2c(c1)OCCO2 211729969 344378458 /nfs/dbraw/zinc/37/84/58/344378458.db2.gz HKOYWABEDUVGGP-UHFFFAOYSA-N 0 0 153.181 1.279 10 0 ADAERN C[C@]12CCCCCC1N=NC(=O)O2 211707058 344378573 /nfs/dbraw/zinc/37/85/73/344378573.db2.gz HLYMWAADFHTTFS-VIFPVBQESA-N 0 0 182.223 1.805 10 0 ADAERN Cc1cc(N)c(N)c(Cl)c1O 211687353 344378592 /nfs/dbraw/zinc/37/85/92/344378592.db2.gz YUDFCEOHJWUOSK-UHFFFAOYSA-N 0 0 172.615 1.518 10 0 ADAERN CCc1cccnc1NC=O 211772951 344378601 /nfs/dbraw/zinc/37/86/01/344378601.db2.gz ZUIDKSCCMIOGJG-UHFFFAOYSA-N 0 0 150.181 1.212 10 0 ADAERN CCc1cnc(C=O)cc1C 211719156 344378613 /nfs/dbraw/zinc/37/86/13/344378613.db2.gz YSUSGWZURXGAGY-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN Cc1c([S-])ccc(N)c1O 211726316 344378688 /nfs/dbraw/zinc/37/86/88/344378688.db2.gz XHANRJZCLDFKHA-UHFFFAOYSA-N 0 0 155.222 1.572 10 0 ADAERN Cc1ccc(N(N)C(N)=S)c(C)c1 211789502 344378705 /nfs/dbraw/zinc/37/87/05/344378705.db2.gz DWSCLCYLWAIELO-UHFFFAOYSA-N 0 0 195.291 1.227 10 0 ADAERN Cc1cc2[nH]cnc2cc1NC=O 211761503 344378706 /nfs/dbraw/zinc/37/87/06/344378706.db2.gz DQNCWWQPKYHSGN-UHFFFAOYSA-N 0 0 175.191 1.440 10 0 ADAERN Cc1[nH]cnc1-c1csc(N)n1 211703722 344378734 /nfs/dbraw/zinc/37/87/34/344378734.db2.gz SDMPIPMRLSMCJE-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Cc1c(N)c(N)cc(Cl)c1O 211687568 344378752 /nfs/dbraw/zinc/37/87/52/344378752.db2.gz VKLJPSZPRFUOKG-UHFFFAOYSA-N 0 0 172.615 1.518 10 0 ADAERN C[C@@]12CCCCCC1N=NC(=O)O2 211706979 344378766 /nfs/dbraw/zinc/37/87/66/344378766.db2.gz HLYMWAADFHTTFS-SECBINFHSA-N 0 0 182.223 1.805 10 0 ADAERN Cc1nc(C)c2ncoc2n1 211714607 344378770 /nfs/dbraw/zinc/37/87/70/344378770.db2.gz XHNYFYGIGHURGH-UHFFFAOYSA-N 0 0 149.153 1.235 10 0 ADAERN COc1cc2nnsc2cc1N 211841252 344379174 /nfs/dbraw/zinc/37/91/74/344379174.db2.gz DGJLHSGTVUNJEQ-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN O=c1[nH]cnn2c1cc1ccccc12 211885839 344379222 /nfs/dbraw/zinc/37/92/22/344379222.db2.gz HPKHYGCZRBFOMH-UHFFFAOYSA-N 0 0 185.186 1.176 10 0 ADAERN Clc1cc2n[nH]nc2cn1 211841561 344379223 /nfs/dbraw/zinc/37/92/23/344379223.db2.gz JSIIDEVMRSVGKA-UHFFFAOYSA-N 0 0 154.560 1.006 10 0 ADAERN COc1c(O)ccc(F)c1C 211988777 344379488 /nfs/dbraw/zinc/37/94/88/344379488.db2.gz ZFKXGNMAUYQTRI-UHFFFAOYSA-N 0 0 156.156 1.848 10 0 ADAERN CC(=O)c1cc(Cl)n(C)c1 212043393 344379561 /nfs/dbraw/zinc/37/95/61/344379561.db2.gz WVCLLICISPAHGI-UHFFFAOYSA-N 0 0 157.600 1.881 10 0 ADAERN Cc1nccn1CCC1(O)CC1 212252584 344379896 /nfs/dbraw/zinc/37/98/96/344379896.db2.gz QBWDENJJIYISBJ-UHFFFAOYSA-N 0 0 166.224 1.107 10 0 ADAERN O=[N+]([O-])c1nc(Cl)nc(Cl)n1 212261717 344379927 /nfs/dbraw/zinc/37/99/27/344379927.db2.gz QLNWYGVNYBEQMO-UHFFFAOYSA-N 0 0 194.965 1.087 10 0 ADAERN C#CCC[C@@H](C)C(=O)OC 212217363 344379949 /nfs/dbraw/zinc/37/99/49/344379949.db2.gz HCWFJBHPAYFCMP-SSDOTTSWSA-N 0 0 140.182 1.209 10 0 ADAERN Cc1cnn(CCC2(O)CC2)c1 212252491 344379989 /nfs/dbraw/zinc/37/99/89/344379989.db2.gz HOZSNLPXJXIFFG-UHFFFAOYSA-N 0 0 166.224 1.107 10 0 ADAERN CC(C)(C)C[C@H]1CCCN1C(=O)CO 212403218 344379992 /nfs/dbraw/zinc/37/99/92/344379992.db2.gz JAAXDSQGEPEPIC-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H]1CCC[C@@H]1CC(=O)N(C)C 212534120 344380334 /nfs/dbraw/zinc/38/03/34/344380334.db2.gz HBIRHEROSZMVFS-DTWKUNHWSA-N 0 0 169.268 1.901 10 0 ADAERN O=C1CCc2cccc(CO)c2N1 212696362 344380374 /nfs/dbraw/zinc/38/03/74/344380374.db2.gz ZEXPCNYKYYKLML-UHFFFAOYSA-N 0 0 177.203 1.064 10 0 ADAERN C[C@H](O)c1cccc2cnncc12 212581340 344380386 /nfs/dbraw/zinc/38/03/86/344380386.db2.gz UFWSBRSVLDSHED-ZETCQYMHSA-N 0 0 174.203 1.683 10 0 ADAERN C[C@@H]1CCC[C@H]1CC(=O)N(C)C 212534191 344380442 /nfs/dbraw/zinc/38/04/42/344380442.db2.gz HBIRHEROSZMVFS-BDAKNGLRSA-N 0 0 169.268 1.901 10 0 ADAERN C[C@@H](O)c1cccc2cnncc12 212581408 344380448 /nfs/dbraw/zinc/38/04/48/344380448.db2.gz UFWSBRSVLDSHED-SSDOTTSWSA-N 0 0 174.203 1.683 10 0 ADAERN C[C@@H]1CCC[C@@H]1CC(=O)N(C)C 212534061 344380459 /nfs/dbraw/zinc/38/04/59/344380459.db2.gz HBIRHEROSZMVFS-RKDXNWHRSA-N 0 0 169.268 1.901 10 0 ADAERN Cc1cc(C)n(CCC2(O)CC2)n1 212879325 344380464 /nfs/dbraw/zinc/38/04/64/344380464.db2.gz OGEFRKBIAXETHJ-UHFFFAOYSA-N 0 0 180.251 1.415 10 0 ADAERN Cc1cc(C)c2nc(N)sc2n1 212829449 344380480 /nfs/dbraw/zinc/38/04/80/344380480.db2.gz JGPSFQWVNJIJGF-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN Cc1cc2c(cc1N)c(C)nn2C 212628949 344380489 /nfs/dbraw/zinc/38/04/89/344380489.db2.gz NYTAPSCAKMJIBG-UHFFFAOYSA-N 0 0 175.235 1.772 10 0 ADAERN O=C1C[C@@H](c2ccccc2)[C@H](CO)O1 213056658 344380677 /nfs/dbraw/zinc/38/06/77/344380677.db2.gz PVHURAHEXFHPFO-UWVGGRQHSA-N 0 0 192.214 1.078 10 0 ADAERN OC1(CCn2cc(Cl)cn2)CC1 213268857 344380758 /nfs/dbraw/zinc/38/07/58/344380758.db2.gz DGYYMKRSBRRRJE-UHFFFAOYSA-N 0 0 186.642 1.452 10 0 ADAERN COC(=O)Cc1cc(N)cc(F)c1 213044524 344380766 /nfs/dbraw/zinc/38/07/66/344380766.db2.gz DSUHHFQIORCZQP-UHFFFAOYSA-N 0 0 183.182 1.123 10 0 ADAERN COc1ccnc(Cl)c1C(C)=O 213220897 344380898 /nfs/dbraw/zinc/38/08/98/344380898.db2.gz BLONXIIZAFHAKS-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN C[C@H]1CC(=O)CC(=O)C[C@@H]1C 213444133 344381175 /nfs/dbraw/zinc/38/11/75/344381175.db2.gz RSPMDZMXVJILHF-BQBZGAKWSA-N 0 0 154.209 1.581 10 0 ADAERN CN(C)C(=O)[C@@H]1CCC(C)(C)C1 213360525 344381299 /nfs/dbraw/zinc/38/12/99/344381299.db2.gz COBUIRQKIZDWGO-MRVPVSSYSA-N 0 0 169.268 1.901 10 0 ADAERN C[C@@H]1CC(=O)CC(=O)C[C@H]1C 213444192 344381270 /nfs/dbraw/zinc/38/12/70/344381270.db2.gz RSPMDZMXVJILHF-RNFRBKRXSA-N 0 0 154.209 1.581 10 0 ADAERN COC(=O)c1cc2c(N)cccc2o1 213511514 344381297 /nfs/dbraw/zinc/38/12/97/344381297.db2.gz OTAJBTCVGKXMCQ-UHFFFAOYSA-N 0 0 191.186 1.802 10 0 ADAERN CN1C(=O)c2ccccc2OC1(C)C 213530992 344381356 /nfs/dbraw/zinc/38/13/56/344381356.db2.gz SZPYBLKMBQNSOK-UHFFFAOYSA-N 0 0 191.230 1.887 10 0 ADAERN CCOC(=O)c1cccc(CF)n1 214085176 344381871 /nfs/dbraw/zinc/38/18/71/344381871.db2.gz VKFQSMWIHOSGHW-UHFFFAOYSA-N 0 0 183.182 1.728 10 0 ADAERN COC(=O)c1noc2ccc(N)cc12 213587429 344381661 /nfs/dbraw/zinc/38/16/61/344381661.db2.gz OYRLJIXBXOCRPG-UHFFFAOYSA-N 0 0 192.174 1.197 10 0 ADAERN COC(=O)c1noc2c(N)cccc12 213587341 344381673 /nfs/dbraw/zinc/38/16/73/344381673.db2.gz GONCWKKLGMXYRH-UHFFFAOYSA-N 0 0 192.174 1.197 10 0 ADAERN C[C@H]1COCCN1c1ccccn1 214070902 344381841 /nfs/dbraw/zinc/38/18/41/344381841.db2.gz KMRZIWZCUJQPRC-VIFPVBQESA-N 0 0 178.235 1.307 10 0 ADAERN CCOC(=O)c1ccc(CF)nc1 214085112 344381919 /nfs/dbraw/zinc/38/19/19/344381919.db2.gz IEPHKXORIOMNQY-UHFFFAOYSA-N 0 0 183.182 1.728 10 0 ADAERN Nc1ccc(-n2nccn2)c(Cl)c1 213814901 344381989 /nfs/dbraw/zinc/38/19/89/344381989.db2.gz CMRLHUOJMKQVJD-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN OCc1ccnn1CC1CCC1 213889040 344382047 /nfs/dbraw/zinc/38/20/47/344382047.db2.gz HGMXRMHNYMUVNZ-UHFFFAOYSA-N 0 0 166.224 1.176 10 0 ADAERN COc1cc(N)cc(O)c1Cl 214070435 344382127 /nfs/dbraw/zinc/38/21/27/344382127.db2.gz ZEQXCGGIIFTDFZ-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN Nc1ccc(-c2nc(Cl)n[nH]2)cc1 213816076 344382169 /nfs/dbraw/zinc/38/21/69/344382169.db2.gz NDHUXTMEVCSRCS-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN CCC(CC)NN1CCOCC1 214358757 344382371 /nfs/dbraw/zinc/38/23/71/344382371.db2.gz JTILZELTYJQHAA-UHFFFAOYSA-N 0 0 172.272 1.012 10 0 ADAERN C[Si](C)(C)c1cccccc1=O 214215564 344382377 /nfs/dbraw/zinc/38/23/77/344382377.db2.gz WNCKORRLQONSBN-UHFFFAOYSA-N 0 0 178.307 1.592 10 0 ADAERN C1CCC(CNN2CCOCC2)CC1 214357895 344382388 /nfs/dbraw/zinc/38/23/88/344382388.db2.gz HWKIRCNWMKTLPA-UHFFFAOYSA-N 0 0 198.310 1.404 10 0 ADAERN C[C@@H]1CC[C@H](NN2CCOCC2)C1 214705245 344382629 /nfs/dbraw/zinc/38/26/29/344382629.db2.gz JAILTPWWBXSSGE-ZJUUUORDSA-N 0 0 184.283 1.012 10 0 ADAERN Nc1cc(N)cc(-c2ccc[nH]2)c1 214715374 344382689 /nfs/dbraw/zinc/38/26/89/344382689.db2.gz NJTWLLIQHRRIKP-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN C[C@H]1CC[C@H](NN2CCOCC2)C1 214705298 344382690 /nfs/dbraw/zinc/38/26/90/344382690.db2.gz JAILTPWWBXSSGE-UWVGGRQHSA-N 0 0 184.283 1.012 10 0 ADAERN C[C@@H]1CC[C@@H](NN2CCOCC2)C1 214705354 344382759 /nfs/dbraw/zinc/38/27/59/344382759.db2.gz JAILTPWWBXSSGE-NXEZZACHSA-N 0 0 184.283 1.012 10 0 ADAERN C[C@H]1CC[C@@H](NN2CCOCC2)C1 214705408 344382834 /nfs/dbraw/zinc/38/28/34/344382834.db2.gz JAILTPWWBXSSGE-VHSXEESVSA-N 0 0 184.283 1.012 10 0 ADAERN COC(=O)c1cc(OC)c(N)cc1C 214792001 344383124 /nfs/dbraw/zinc/38/31/24/344383124.db2.gz HACFSCLSBOOFTM-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COC(=O)c1c(N)cc(C)cc1OC 214791304 344383204 /nfs/dbraw/zinc/38/32/04/344383204.db2.gz PVRCNJRNRGRHDO-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COC(=O)c1ccc(OC)c(N)c1C 214791657 344383326 /nfs/dbraw/zinc/38/33/26/344383326.db2.gz DZVUQXNEOXGGJL-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COc1cc(Cl)cnc1C=O 214889169 344383520 /nfs/dbraw/zinc/38/35/20/344383520.db2.gz SHFSESKSUUQKPN-UHFFFAOYSA-N 0 0 171.583 1.556 10 0 ADAERN CN(C)NCc1ccncc1Cl 214886808 344383545 /nfs/dbraw/zinc/38/35/45/344383545.db2.gz VYMUVSJKOKSUSR-UHFFFAOYSA-N 0 0 185.658 1.301 10 0 ADAERN CN(C)N[C@H]1CCOC2(CCCC2)C1 214837947 344383575 /nfs/dbraw/zinc/38/35/75/344383575.db2.gz YRWPFUNTGOVXCW-JTQLQIEISA-N 0 0 198.310 1.544 10 0 ADAERN CO[C@H]1CCC[C@H](NN(C)C)C1 214838225 344383583 /nfs/dbraw/zinc/38/35/83/344383583.db2.gz VXMGKWBQKDHCOJ-IUCAKERBSA-N 0 0 172.272 1.010 10 0 ADAERN CC1(CNN2CCCCC2)COC1 214867812 344383604 /nfs/dbraw/zinc/38/36/04/344383604.db2.gz WGXUEBHPTOMGAK-UHFFFAOYSA-N 0 0 184.283 1.013 10 0 ADAERN COc1ccnc(C)c1C=O 214888565 344383612 /nfs/dbraw/zinc/38/36/12/344383612.db2.gz STWHLAODDWPEGQ-UHFFFAOYSA-N 0 0 151.165 1.211 10 0 ADAERN CO[C@@H]1CCC[C@@H](NN(C)C)C1 214838273 344383636 /nfs/dbraw/zinc/38/36/36/344383636.db2.gz VXMGKWBQKDHCOJ-RKDXNWHRSA-N 0 0 172.272 1.010 10 0 ADAERN CO[C@H]1CCC[C@@H](NN(C)C)C1 214838177 344383656 /nfs/dbraw/zinc/38/36/56/344383656.db2.gz VXMGKWBQKDHCOJ-BDAKNGLRSA-N 0 0 172.272 1.010 10 0 ADAERN CN(C)NCc1ccc2c(c1)CCC2 214851556 344383701 /nfs/dbraw/zinc/38/37/01/344383701.db2.gz OJNCMGVOOJJYKY-UHFFFAOYSA-N 0 0 190.290 1.742 10 0 ADAERN CN(C)N[C@@H]1CCOC2(CCCC2)C1 214837898 344383713 /nfs/dbraw/zinc/38/37/13/344383713.db2.gz YRWPFUNTGOVXCW-SNVBAGLBSA-N 0 0 198.310 1.544 10 0 ADAERN CN(C)NCC1(O)CCCCCC1 214875391 344383718 /nfs/dbraw/zinc/38/37/18/344383718.db2.gz JYSGTBUEQNVQKC-UHFFFAOYSA-N 0 0 186.299 1.138 10 0 ADAERN CO[C@@H]1CCC[C@H](NN(C)C)C1 214838319 344383747 /nfs/dbraw/zinc/38/37/47/344383747.db2.gz VXMGKWBQKDHCOJ-DTWKUNHWSA-N 0 0 172.272 1.010 10 0 ADAERN Cc1ccc(F)c(C(=O)NC#N)c1F 214868895 344383788 /nfs/dbraw/zinc/38/37/88/344383788.db2.gz MHVRUEDILHPEGW-UHFFFAOYSA-N 0 0 196.156 1.484 10 0 ADAERN Cc1cc(CO)c(C)c2c1COC2 214924500 344383935 /nfs/dbraw/zinc/38/39/35/344383935.db2.gz DUQXXESZNSGPIJ-UHFFFAOYSA-N 0 0 178.231 1.826 10 0 ADAERN Clc1nccc2c1CCO2 214890793 344383983 /nfs/dbraw/zinc/38/39/83/344383983.db2.gz AVPUVMRXNGAKNX-UHFFFAOYSA-N 0 0 155.584 1.670 10 0 ADAERN OC1(CNN2CCCCC2)CCCC1 214899512 344384006 /nfs/dbraw/zinc/38/40/06/344384006.db2.gz GJMDAWPDXIJTJY-UHFFFAOYSA-N 0 0 198.310 1.282 10 0 ADAERN FC(F)CNN1CCCCC1 214900509 344384032 /nfs/dbraw/zinc/38/40/32/344384032.db2.gz JLBGIZGJVFWMQM-UHFFFAOYSA-N 0 0 164.199 1.242 10 0 ADAERN COc1cc(C=O)ncc1Cl 214935101 344384415 /nfs/dbraw/zinc/38/44/15/344384415.db2.gz YLQKEVLSAOYNFV-UHFFFAOYSA-N 0 0 171.583 1.556 10 0 ADAERN COc1c(C)cncc1F 214933413 344384416 /nfs/dbraw/zinc/38/44/16/344384416.db2.gz RFUZHVHTJCVMNM-UHFFFAOYSA-N 0 0 141.145 1.538 10 0 ADAERN COC(=O)c1ccc(N)c(F)c1OC 214959961 344384417 /nfs/dbraw/zinc/38/44/17/344384417.db2.gz YKRSZQJLEZIIKO-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN COC(=O)c1cc(OC)cc(F)c1N 214958973 344384423 /nfs/dbraw/zinc/38/44/23/344384423.db2.gz JRPAXWILPLEOQL-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN Cc1nc(CNN(C)C)sc1C 214951972 344384428 /nfs/dbraw/zinc/38/44/28/344384428.db2.gz VNRZOLKODSLBDW-UHFFFAOYSA-N 0 0 185.296 1.326 10 0 ADAERN CN(C)NC[C@H]1Cc2ccccc2O1 214951736 344384439 /nfs/dbraw/zinc/38/44/39/344384439.db2.gz JYLNECZKTSUSFQ-SNVBAGLBSA-N 0 0 192.262 1.056 10 0 ADAERN COC(=O)c1cc(F)c(N)c(OC)c1 214959894 344384505 /nfs/dbraw/zinc/38/45/05/344384505.db2.gz UNCPCVQVKAAARS-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN CCOCC[S@](=O)c1ccccc1 214992070 344384945 /nfs/dbraw/zinc/38/49/45/344384945.db2.gz BNCRKEJKCSBDFW-ZDUSSCGKSA-N 0 0 198.287 1.831 10 0 ADAERN COC(=O)[C@H]1CCCCCCN1 214984138 344384923 /nfs/dbraw/zinc/38/49/23/344384923.db2.gz WWEMGEIEZFUSEK-MRVPVSSYSA-N 0 0 171.240 1.082 10 0 ADAERN Cc1ccc(F)c(NC(N)=O)c1F 215058447 344385232 /nfs/dbraw/zinc/38/52/32/344385232.db2.gz MFZDFCGSOQXBQI-UHFFFAOYSA-N 0 0 186.161 1.764 10 0 ADAERN Cc1ccc(F)c(NCCO)c1F 215066344 344385293 /nfs/dbraw/zinc/38/52/93/344385293.db2.gz BRFREALOMSZZQJ-UHFFFAOYSA-N 0 0 187.189 1.677 10 0 ADAERN Cc1ccc(F)c(NC=O)c1F 215079560 344385661 /nfs/dbraw/zinc/38/56/61/344385661.db2.gz ZXYXBUHYRAKIKD-UHFFFAOYSA-N 0 0 171.146 1.842 10 0 ADAERN O=C1C[C@@]2(CCc3c(F)cccc32)N1 215077485 344385815 /nfs/dbraw/zinc/38/58/15/344385815.db2.gz XCARCRHHNQHVKG-LLVKDONJSA-N 0 0 191.205 1.487 10 0 ADAERN O=C1C[C@]2(CCc3c(F)cccc32)N1 215077529 344385881 /nfs/dbraw/zinc/38/58/81/344385881.db2.gz XCARCRHHNQHVKG-NSHDSACASA-N 0 0 191.205 1.487 10 0 ADAERN C/C=C/C=C\C(=O)Nc1ncc[nH]1 215119040 344385906 /nfs/dbraw/zinc/38/59/06/344385906.db2.gz IFWNIHPEVPFPLB-IAROGAJJSA-N 0 0 177.207 1.481 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1N1CCNC1=O 215279941 344387737 /nfs/dbraw/zinc/38/77/37/344387737.db2.gz XWOMFTYCRLFRLM-RKDXNWHRSA-N 0 0 197.282 1.190 10 0 ADAERN C[C@H]1CCC[C@@H](C)N1N1CCNC1=O 215279856 344387753 /nfs/dbraw/zinc/38/77/53/344387753.db2.gz XWOMFTYCRLFRLM-DTORHVGOSA-N 0 0 197.282 1.190 10 0 ADAERN CCOC(=N)[C@H]1CC[C@@H](C)O1 215287006 344387893 /nfs/dbraw/zinc/38/78/93/344387893.db2.gz XMZZTJBVLSHMOS-RNFRBKRXSA-N 0 0 157.213 1.568 10 0 ADAERN C[C@H]1CCC[C@H](C)N1N1CCNC1=O 215279898 344387915 /nfs/dbraw/zinc/38/79/15/344387915.db2.gz XWOMFTYCRLFRLM-IUCAKERBSA-N 0 0 197.282 1.190 10 0 ADAERN CCOC(=N)[C@@H]1CC[C@@H](C)O1 215286960 344387927 /nfs/dbraw/zinc/38/79/27/344387927.db2.gz XMZZTJBVLSHMOS-RQJHMYQMSA-N 0 0 157.213 1.568 10 0 ADAERN CCC[C@@H](O)C[C@H]1CCCC(=O)N1 215301678 344388370 /nfs/dbraw/zinc/38/83/70/344388370.db2.gz NSGLLYJNQSOQLM-RKDXNWHRSA-N 0 0 185.267 1.206 10 0 ADAERN COc1cccc(O)c1[Si](C)(C)C 215446787 344389184 /nfs/dbraw/zinc/38/91/84/344389184.db2.gz VUIFACQIDJPVOI-UHFFFAOYSA-N 0 0 196.322 1.946 10 0 ADAERN COc1cc([C@H](C)NO)ccc1F 215465997 344389274 /nfs/dbraw/zinc/38/92/74/344389274.db2.gz ZRWLIJHXWXYZNF-LURJTMIESA-N 0 0 185.198 1.874 10 0 ADAERN COC(=O)/C=C/c1ccc(O)cc1C 215500452 344389758 /nfs/dbraw/zinc/38/97/58/344389758.db2.gz JTWBYPDPPJPVCN-GQCTYLIASA-N 0 0 192.214 1.887 10 0 ADAERN COc1cc(C=O)c(Cl)cc1N 215516224 344389818 /nfs/dbraw/zinc/38/98/18/344389818.db2.gz HCXGIEOEYHDOBO-UHFFFAOYSA-N 0 0 185.610 1.743 10 0 ADAERN C/C=C/CCC(=O)N(C)OC 215568354 344390007 /nfs/dbraw/zinc/39/00/07/344390007.db2.gz KWJVCMCIYUYBJZ-SNAWJCMRSA-N 0 0 157.213 1.363 10 0 ADAERN CNc1ccc(C(C)=O)cc1OC 215595854 344390011 /nfs/dbraw/zinc/39/00/11/344390011.db2.gz VUKUVCBUYKQFJV-UHFFFAOYSA-N 0 0 179.219 1.940 10 0 ADAERN COc1nc(N)ccc1C(C)C 215604015 344390051 /nfs/dbraw/zinc/39/00/51/344390051.db2.gz SYLAZJBWXOJCEZ-UHFFFAOYSA-N 0 0 166.224 1.796 10 0 ADAERN CC(C)=CC[C@]1(C(=O)[O-])CCC[NH2+]1 215610130 344390129 /nfs/dbraw/zinc/39/01/29/344390129.db2.gz ZNJSCRRPYSKAJP-JTQLQIEISA-N 0 0 183.251 1.550 10 0 ADAERN CC(C)=CC[C@@]1(C(=O)[O-])CCC[NH2+]1 215610178 344390298 /nfs/dbraw/zinc/39/02/98/344390298.db2.gz ZNJSCRRPYSKAJP-SNVBAGLBSA-N 0 0 183.251 1.550 10 0 ADAERN CN1C=C(c2ccccc2)OC1 215643988 344390448 /nfs/dbraw/zinc/39/04/48/344390448.db2.gz BIWPZTPRAABJQP-UHFFFAOYSA-N 0 0 161.204 1.905 10 0 ADAERN CC(C)(O)c1cc(N)cc(F)c1 215643944 344390463 /nfs/dbraw/zinc/39/04/63/344390463.db2.gz SAPLOQLFGZOFQS-UHFFFAOYSA-N 0 0 169.199 1.635 10 0 ADAERN CN1C=CCC(=O)C=C1 215640080 344390686 /nfs/dbraw/zinc/39/06/86/344390686.db2.gz MQQJAUQSCLDRTO-UHFFFAOYSA-N 0 0 123.155 1.401 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH+]1CCCC1 215629350 344390770 /nfs/dbraw/zinc/39/07/70/344390770.db2.gz YTKKGHQBHIYRDT-VURMDHGXSA-N 0 0 169.224 1.113 10 0 ADAERN CC[C@]1(C(=O)[O-])CCC[N@@H+]1C1CCC1 215727325 344391434 /nfs/dbraw/zinc/39/14/34/344391434.db2.gz XUPWZFHCSNZCAL-LLVKDONJSA-N 0 0 197.278 1.868 10 0 ADAERN COC(=O)Cc1cccc(F)c1N 215731643 344391547 /nfs/dbraw/zinc/39/15/47/344391547.db2.gz WHWAKZBESYEWOM-UHFFFAOYSA-N 0 0 183.182 1.123 10 0 ADAERN O=C([O-])[C@@]1(CC2CCC2)CCC[NH2+]1 215720514 344391555 /nfs/dbraw/zinc/39/15/55/344391555.db2.gz RJGTWJBNEJTAIU-JTQLQIEISA-N 0 0 183.251 1.383 10 0 ADAERN O=C([O-])[C@]1(CC2CCC2)CCC[NH2+]1 215720563 344391582 /nfs/dbraw/zinc/39/15/82/344391582.db2.gz RJGTWJBNEJTAIU-SNVBAGLBSA-N 0 0 183.251 1.383 10 0 ADAERN COc1ccc(O)c(OC)c1C(C)=O 215757248 344392305 /nfs/dbraw/zinc/39/23/05/344392305.db2.gz CAXMBFXYMBZZRB-UHFFFAOYSA-N 0 0 196.202 1.612 10 0 ADAERN CC(C)=CCN1C(=O)CCC1=O 215783447 344392471 /nfs/dbraw/zinc/39/24/71/344392471.db2.gz COMFKVYDEOIOLW-UHFFFAOYSA-N 0 0 167.208 1.102 10 0 ADAERN COCCc1ccccc1C(=O)OC 215815384 344392552 /nfs/dbraw/zinc/39/25/52/344392552.db2.gz JHDDGKDEPAMIQA-UHFFFAOYSA-N 0 0 194.230 1.662 10 0 ADAERN CCC[C@@H](O)/C=C/C(=O)OCC 215804812 344392611 /nfs/dbraw/zinc/39/26/11/344392611.db2.gz QBWJOBQGZHROSL-HYDMIIDASA-N 0 0 172.224 1.267 10 0 ADAERN C/C(=C\[C@@H](C)O)c1cccnc1 215801415 344392791 /nfs/dbraw/zinc/39/27/91/344392791.db2.gz OOWCYCKJYHWOAK-BNICOGTQSA-N 0 0 163.220 1.866 10 0 ADAERN C/C(=C\[C@H](C)O)c1cccnc1 215801362 344392827 /nfs/dbraw/zinc/39/28/27/344392827.db2.gz OOWCYCKJYHWOAK-ORZBULNSSA-N 0 0 163.220 1.866 10 0 ADAERN O[C@@H](c1cccnc1F)C1CC1 215804858 344392859 /nfs/dbraw/zinc/39/28/59/344392859.db2.gz FKFFYCJIYPISAS-MRVPVSSYSA-N 0 0 167.183 1.664 10 0 ADAERN O[C@H](c1cccnc1F)C1CC1 215804905 344392916 /nfs/dbraw/zinc/39/29/16/344392916.db2.gz FKFFYCJIYPISAS-QMMMGPOBSA-N 0 0 167.183 1.664 10 0 ADAERN CC(C)[S@@](=O)Nc1ccccc1O 215851485 344393626 /nfs/dbraw/zinc/39/36/26/344393626.db2.gz KDVJRVRQOAZCNB-CYBMUJFWSA-N 0 0 199.275 1.876 10 0 ADAERN NC(=O)/C=C\C1=CCCC1 215888046 344393518 /nfs/dbraw/zinc/39/35/18/344393518.db2.gz GIDOQBKTWQBGDG-WAYWQWQTSA-N 0 0 137.182 1.138 10 0 ADAERN O=C1Nc2ccccc2[C@@]1(O)C(F)F 215882995 344393550 /nfs/dbraw/zinc/39/35/50/344393550.db2.gz NDCPERTZKWMHNE-SECBINFHSA-N 0 0 199.156 1.091 10 0 ADAERN O=C1Nc2ccccc2[C@]1(O)C(F)F 215882947 344393554 /nfs/dbraw/zinc/39/35/54/344393554.db2.gz NDCPERTZKWMHNE-VIFPVBQESA-N 0 0 199.156 1.091 10 0 ADAERN O=C1Nc2ccccc2[C@]1(O)C1CC1 215882619 344393578 /nfs/dbraw/zinc/39/35/78/344393578.db2.gz VRNZXJLVARMKMJ-LLVKDONJSA-N 0 0 189.214 1.236 10 0 ADAERN ONCc1ccn(-c2ccccc2)n1 215856271 344393605 /nfs/dbraw/zinc/39/36/05/344393605.db2.gz XSFWSUWEZQJQLL-UHFFFAOYSA-N 0 0 189.218 1.351 10 0 ADAERN CC(=O)c1ccc(CO)cc1C 215894852 344393622 /nfs/dbraw/zinc/39/36/22/344393622.db2.gz FYUCVOSFIJYRQU-UHFFFAOYSA-N 0 0 164.204 1.690 10 0 ADAERN CC(C)[S@](=O)Nc1ccccc1O 215851528 344393705 /nfs/dbraw/zinc/39/37/05/344393705.db2.gz KDVJRVRQOAZCNB-ZDUSSCGKSA-N 0 0 199.275 1.876 10 0 ADAERN C/C(=C/c1cn(C)nc1C)CO 215868567 344393729 /nfs/dbraw/zinc/39/37/29/344393729.db2.gz NAYNITOXKMOEMG-DAXSKMNVSA-N 0 0 166.224 1.124 10 0 ADAERN CC(=O)c1cc(F)cc2nc[nH]c12 215842585 344393732 /nfs/dbraw/zinc/39/37/32/344393732.db2.gz ZIBYLZICUSHGPM-UHFFFAOYSA-N 0 0 178.166 1.905 10 0 ADAERN CCC(=O)CCC(=O)OCC(C)C 215845524 344393770 /nfs/dbraw/zinc/39/37/70/344393770.db2.gz NJZJIERQXBEVOM-UHFFFAOYSA-N 0 0 186.251 1.945 10 0 ADAERN O=C1Nc2ccccc2[C@@]1(O)C1CC1 215882663 344393801 /nfs/dbraw/zinc/39/38/01/344393801.db2.gz VRNZXJLVARMKMJ-NSHDSACASA-N 0 0 189.214 1.236 10 0 ADAERN NC(=O)/C=C/C1=CCCC1 215888094 344393827 /nfs/dbraw/zinc/39/38/27/344393827.db2.gz GIDOQBKTWQBGDG-AATRIKPKSA-N 0 0 137.182 1.138 10 0 ADAERN Cc1cccc(-n2cnnc2N)c1 215850332 344393829 /nfs/dbraw/zinc/39/38/29/344393829.db2.gz JUISHCDQAXCESP-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Nc1nccc(-c2cncs2)n1 215935777 344393918 /nfs/dbraw/zinc/39/39/18/344393918.db2.gz VBDQOPKOLMCXIM-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O=C1NCC[C@H]1Sc1ccncc1 215957288 344393936 /nfs/dbraw/zinc/39/39/36/344393936.db2.gz JRTBCCCBENFXPN-MRVPVSSYSA-N 0 0 194.259 1.062 10 0 ADAERN O=C1NCC[C@@H]1Sc1ccncc1 215957328 344394016 /nfs/dbraw/zinc/39/40/16/344394016.db2.gz JRTBCCCBENFXPN-QMMMGPOBSA-N 0 0 194.259 1.062 10 0 ADAERN COc1cccc(C(=O)C(C)(C)O)c1 215917973 344394074 /nfs/dbraw/zinc/39/40/74/344394074.db2.gz OSHXXOUARSCODG-UHFFFAOYSA-N 0 0 194.230 1.649 10 0 ADAERN C[N@H+](C1CC1)[C@@H]1CCCC[C@H]1C(=O)[O-] 216067570 344394441 /nfs/dbraw/zinc/39/44/41/344394441.db2.gz FUSCOEGAORRETH-NXEZZACHSA-N 0 0 197.278 1.724 10 0 ADAERN O=C([O-])[C@H]1CCCCC[N@@H+]1C1CC1 216082421 344394520 /nfs/dbraw/zinc/39/45/20/344394520.db2.gz ILMUSKDBMJAGSI-SECBINFHSA-N 0 0 183.251 1.478 10 0 ADAERN O=C([O-])[C@@H]1CCCCC[N@@H+]1C1CC1 216082467 344394589 /nfs/dbraw/zinc/39/45/89/344394589.db2.gz ILMUSKDBMJAGSI-VIFPVBQESA-N 0 0 183.251 1.478 10 0 ADAERN Cc1ccc2nc3c(nc2c1)=CCCC=3 216080860 344394680 /nfs/dbraw/zinc/39/46/80/344394680.db2.gz XCIYYVWHWKEUJE-UHFFFAOYSA-N 0 0 196.253 1.293 10 0 ADAERN C[N@H+](C1CC1)[C@H]1CCCC[C@H]1C(=O)[O-] 216067524 344394781 /nfs/dbraw/zinc/39/47/81/344394781.db2.gz FUSCOEGAORRETH-ZJUUUORDSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H](F)c1nnc(N)s1 216139700 344395116 /nfs/dbraw/zinc/39/51/16/344395116.db2.gz OEGSQIOYOVYWHF-REOHCLBHSA-N 0 0 147.178 1.151 10 0 ADAERN CC1(C)[C@H]2CC[C@]1(C)NC(=O)NC2 216176633 344395147 /nfs/dbraw/zinc/39/51/47/344395147.db2.gz ROFWROVCMLIUFL-XVKPBYJWSA-N 0 0 182.267 1.494 10 0 ADAERN OCc1nsc(-c2ccccc2)n1 216138130 344395242 /nfs/dbraw/zinc/39/52/42/344395242.db2.gz KDESQLPDNXUCQT-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN Cc1nc(/C=C\C(=O)N(C)C)cs1 216127896 344395327 /nfs/dbraw/zinc/39/53/27/344395327.db2.gz NNZJJJBEPXEEBH-PLNGDYQASA-N 0 0 196.275 1.553 10 0 ADAERN Fc1nc(Cl)nc2cc[nH]c12 216203937 344395513 /nfs/dbraw/zinc/39/55/13/344395513.db2.gz YRAGXDJBTBGEPB-UHFFFAOYSA-N 0 0 171.562 1.750 10 0 ADAERN CCOC(=O)C1=Nc2ccsc2C1 216216764 344395577 /nfs/dbraw/zinc/39/55/77/344395577.db2.gz OAAXGUYTBNWWDI-UHFFFAOYSA-N 0 0 195.243 1.940 10 0 ADAERN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(N)=O 216201994 344395599 /nfs/dbraw/zinc/39/55/99/344395599.db2.gz GMXFKVPERNHMSG-UTLUCORTSA-N 0 0 199.294 1.846 10 0 ADAERN CC(C)(C)[N@@H+]1CCC[C@H](C(=O)[O-])CC1 216199080 344395620 /nfs/dbraw/zinc/39/56/20/344395620.db2.gz OGOFCPGNWMRWKG-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C)C[C@@H]1C 216200747 344395625 /nfs/dbraw/zinc/39/56/25/344395625.db2.gz JPIUYBGQEHMZSJ-KXUCPTDWSA-N 0 0 198.310 1.371 10 0 ADAERN CC(C)(C)[N@@H+]1CCC[C@@H](C(=O)[O-])CC1 216199132 344395719 /nfs/dbraw/zinc/39/57/19/344395719.db2.gz OGOFCPGNWMRWKG-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H]1CCC[C@H](O[C@H](C)C(N)=O)C1 216201807 344395831 /nfs/dbraw/zinc/39/58/31/344395831.db2.gz KZWDXYDZJCPRAL-HLTSFMKQSA-N 0 0 185.267 1.456 10 0 ADAERN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(N)=O 216201900 344395840 /nfs/dbraw/zinc/39/58/40/344395840.db2.gz GMXFKVPERNHMSG-BBBLOLIVSA-N 0 0 199.294 1.846 10 0 ADAERN C[C@@H]1CCC[C@@H](O[C@H](C)C(N)=O)C1 216201757 344395843 /nfs/dbraw/zinc/39/58/43/344395843.db2.gz KZWDXYDZJCPRAL-IWSPIJDZSA-N 0 0 185.267 1.456 10 0 ADAERN CCCc1n[nH]cc1C(C)=O 216290032 344396024 /nfs/dbraw/zinc/39/60/24/344396024.db2.gz IQCTVAMTIGKGMH-UHFFFAOYSA-N 0 0 152.197 1.565 10 0 ADAERN CCC1(CC)C[C@@H](NC=O)CCO1 216277493 344396131 /nfs/dbraw/zinc/39/61/31/344396131.db2.gz WVMORQBTPHKFEV-VIFPVBQESA-N 0 0 185.267 1.470 10 0 ADAERN COC[C@H]1COC(c2ccccc2)=N1 216267296 344396232 /nfs/dbraw/zinc/39/62/32/344396232.db2.gz QPNSEMBLSMYWAM-JTQLQIEISA-N 0 0 191.230 1.478 10 0 ADAERN CCC1(CC)C[C@H](NC=O)CCO1 216277450 344396424 /nfs/dbraw/zinc/39/64/24/344396424.db2.gz WVMORQBTPHKFEV-SECBINFHSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@@H](C[N@@H+]1CCC[C@@H]1C)C(=O)[O-] 216253515 344396457 /nfs/dbraw/zinc/39/64/57/344396457.db2.gz QAHLMMMEPPTBPM-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN COC(=O)[C@]12CCC[C@H]1CC(=O)CC2 216318992 344396562 /nfs/dbraw/zinc/39/65/62/344396562.db2.gz MLRUFGKJRWUQLF-KWQFWETISA-N 0 0 196.246 1.699 10 0 ADAERN CC1=CC[C@@H]2CC(=O)O[C@H]12 216310564 344396677 /nfs/dbraw/zinc/39/66/77/344396677.db2.gz MNFQXBGICXVSHU-HTRCEHHLSA-N 0 0 138.166 1.268 10 0 ADAERN COC(=O)[C@]12CCC[C@@H]1CC(=O)CC2 216318904 344396759 /nfs/dbraw/zinc/39/67/59/344396759.db2.gz MLRUFGKJRWUQLF-KCJUWKMLSA-N 0 0 196.246 1.699 10 0 ADAERN CC1=CC[C@H]2CC(=O)O[C@H]12 216310517 344396802 /nfs/dbraw/zinc/39/68/02/344396802.db2.gz MNFQXBGICXVSHU-POYBYMJQSA-N 0 0 138.166 1.268 10 0 ADAERN CCc1cc(CC(=O)OC)ccc1N 216647952 344398717 /nfs/dbraw/zinc/39/87/17/344398717.db2.gz FGRLJMWCZYXZAR-UHFFFAOYSA-N 0 0 193.246 1.547 10 0 ADAERN C#Cc1ccccc1[C@@H](C)C(N)=O 216760149 344399273 /nfs/dbraw/zinc/39/92/73/344399273.db2.gz MPTDKCBUARYSSY-MRVPVSSYSA-N 0 0 173.215 1.257 10 0 ADAERN CC(C)(C)OC(=O)C1=C(O)C=CCC1 216812889 344399305 /nfs/dbraw/zinc/39/93/05/344399305.db2.gz PMIIFFURERKTIB-MRVPVSSYSA-N 0 0 196.246 1.863 10 0 ADAERN C#Cc1ccccc1[C@H](C)C(N)=O 216760104 344399359 /nfs/dbraw/zinc/39/93/59/344399359.db2.gz MPTDKCBUARYSSY-QMMMGPOBSA-N 0 0 173.215 1.257 10 0 ADAERN Cl/C=C\Cn1cncn1 216864958 344399665 /nfs/dbraw/zinc/39/96/65/344399665.db2.gz SPXMZGPQKXANJM-UPHRSURJSA-N 0 0 143.577 1.031 10 0 ADAERN O=C1CCC(C(=O)NCC2CC2)CC1 216868460 344399748 /nfs/dbraw/zinc/39/97/48/344399748.db2.gz ADHXJRJBYWJMSY-UHFFFAOYSA-N 0 0 195.262 1.272 10 0 ADAERN CNc1c(CO)cnc(Cl)c1C 216830315 344399871 /nfs/dbraw/zinc/39/98/71/344399871.db2.gz NYGSHZQSNRVOEI-UHFFFAOYSA-N 0 0 186.642 1.577 10 0 ADAERN CNc1c(C=O)cnc(Cl)c1C 216830369 344399906 /nfs/dbraw/zinc/39/99/06/344399906.db2.gz TVGLZWCBIQLVGF-UHFFFAOYSA-N 0 0 184.626 1.898 10 0 ADAERN C[C@@H](C[N@@H+]1CCC[C@@H](C)CC1)C(=O)[O-] 216824035 344399968 /nfs/dbraw/zinc/39/99/68/344399968.db2.gz HTYCFYLTZNYCKS-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN Cc1nccn1[C@@H]1C[C@H](C)CC[C@H]1O 216985967 344400312 /nfs/dbraw/zinc/40/03/12/344400312.db2.gz BBBKASRCJKVACZ-FBIMIBRVSA-N 0 0 194.278 1.914 10 0 ADAERN Cc1nccn1[C@@H]1C[C@@H](C)CC[C@H]1O 216985981 344400531 /nfs/dbraw/zinc/40/05/31/344400531.db2.gz BBBKASRCJKVACZ-JMJZKYOTSA-N 0 0 194.278 1.914 10 0 ADAERN CC(F)(F)c1ncc(C=O)cn1 217085452 344400676 /nfs/dbraw/zinc/40/06/76/344400676.db2.gz XPXNETJXRJNFJP-UHFFFAOYSA-N 0 0 172.134 1.401 10 0 ADAERN Cc1c(CO)nc2ccc(Cl)cn12 217077888 344400827 /nfs/dbraw/zinc/40/08/27/344400827.db2.gz XQRFURKSJASGTD-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN O=C1CNC(=O)N1CC1CCCCC1 217360119 344401234 /nfs/dbraw/zinc/40/12/34/344401234.db2.gz BTRNRRMPJSQXOZ-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN CC(C)[C@H]1CO[C@@H]2CCCC(=O)N12 217403783 344401239 /nfs/dbraw/zinc/40/12/39/344401239.db2.gz QYLYUDHBNLPRQW-PSASIEDQSA-N 0 0 183.251 1.380 10 0 ADAERN CNc1ncc(Cl)nc1Cl 217365255 344401307 /nfs/dbraw/zinc/40/13/07/344401307.db2.gz PZBWBSZYGBJLQX-UHFFFAOYSA-N 0 0 178.022 1.825 10 0 ADAERN COC(=O)[C@@H](C)CO[Si](C)(C)C 217374833 344401361 /nfs/dbraw/zinc/40/13/61/344401361.db2.gz AKBKCYYTOZJOAH-ZETCQYMHSA-N 0 0 190.315 1.647 10 0 ADAERN CNC(=O)c1cc(C)c(C=O)s1 217416775 344401655 /nfs/dbraw/zinc/40/16/55/344401655.db2.gz DKAAPRZDJKHAMV-UHFFFAOYSA-N 0 0 183.232 1.229 10 0 ADAERN CCOC[C@@H](O)COCC(C)C 217416064 344401679 /nfs/dbraw/zinc/40/16/79/344401679.db2.gz GGANFABUDOSKBE-SECBINFHSA-N 0 0 176.256 1.056 10 0 ADAERN O=C(OC(F)(F)F)C1CCC1 217461693 344401683 /nfs/dbraw/zinc/40/16/83/344401683.db2.gz SPMQSQZGLKLSRJ-UHFFFAOYSA-N 0 0 168.114 1.850 10 0 ADAERN CCOC[C@H](O)COCC(C)C 217415990 344401702 /nfs/dbraw/zinc/40/17/02/344401702.db2.gz GGANFABUDOSKBE-VIFPVBQESA-N 0 0 176.256 1.056 10 0 ADAERN COC(=O)[C@@H](OC)C(C)(C)C 217481181 344401750 /nfs/dbraw/zinc/40/17/50/344401750.db2.gz DETXZJYFQZLBKU-ZCFIWIBFSA-N 0 0 160.213 1.221 10 0 ADAERN CNc1cc(Cl)nc2nccn12 217410377 344401802 /nfs/dbraw/zinc/40/18/02/344401802.db2.gz FGBPYUYURDJDFT-UHFFFAOYSA-N 0 0 182.614 1.424 10 0 ADAERN CCOC(=O)/C=C/c1c[nH]cc1C 217407443 344401825 /nfs/dbraw/zinc/40/18/25/344401825.db2.gz UZOKUNSZJHOZTG-SNAWJCMRSA-N 0 0 179.219 1.899 10 0 ADAERN CNC(=O)c1ccc(C=O)c(C)c1 217453037 344401906 /nfs/dbraw/zinc/40/19/06/344401906.db2.gz QYENWHCGTSBELQ-UHFFFAOYSA-N 0 0 177.203 1.167 10 0 ADAERN COC(=O)[C@H](OC)C(C)(C)C 217481255 344401948 /nfs/dbraw/zinc/40/19/48/344401948.db2.gz DETXZJYFQZLBKU-LURJTMIESA-N 0 0 160.213 1.221 10 0 ADAERN CNC(=O)c1cc(F)c(C=O)cc1F 217454350 344401989 /nfs/dbraw/zinc/40/19/89/344401989.db2.gz XTQDIZLMFKQWTI-UHFFFAOYSA-N 0 0 199.156 1.137 10 0 ADAERN CC(C)Oc1cc(Cl)cnn1 217518976 344402154 /nfs/dbraw/zinc/40/21/54/344402154.db2.gz NXYAPRIJXAACHO-UHFFFAOYSA-N 0 0 172.615 1.917 10 0 ADAERN Nc1cc(Cl)c2c(N)noc2c1 217506886 344402439 /nfs/dbraw/zinc/40/24/39/344402439.db2.gz OSYPZPJRODPGBH-UHFFFAOYSA-N 0 0 183.598 1.646 10 0 ADAERN CC(C)OC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 217522824 344402669 /nfs/dbraw/zinc/40/26/69/344402669.db2.gz BHPGFBIMDZYJFK-HLTSFMKQSA-N 0 0 184.235 1.506 10 0 ADAERN Cc1cc(N)cc(C=O)c1 217539105 344403058 /nfs/dbraw/zinc/40/30/58/344403058.db2.gz JZJRXESVZOYZSE-UHFFFAOYSA-N 0 0 135.166 1.390 10 0 ADAERN CCOC(=O)Cc1ccc(N)c(C)n1 217635813 344404148 /nfs/dbraw/zinc/40/41/48/344404148.db2.gz WJCLVDFTSVEGAG-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN FC(F)n1cc(Cl)cn1 217629111 344404208 /nfs/dbraw/zinc/40/42/08/344404208.db2.gz GFSINQDNPVNQGD-UHFFFAOYSA-N 0 0 152.531 1.932 10 0 ADAERN O=CNc1ccnn1-c1ccccc1 217650972 344404363 /nfs/dbraw/zinc/40/43/63/344404363.db2.gz ASJZCIBIVFXUNI-UHFFFAOYSA-N 0 0 187.202 1.441 10 0 ADAERN CCOC(=O)[C@H]1C[C@@H]1c1cncnc1 217664727 344404685 /nfs/dbraw/zinc/40/46/85/344404685.db2.gz BZGIPLXJMCAOAB-BDAKNGLRSA-N 0 0 192.218 1.143 10 0 ADAERN NC(=O)[C@H]1CCCC2(CC2)C1 217759549 344405529 /nfs/dbraw/zinc/40/55/29/344405529.db2.gz IGMHBBWBLFHPJM-ZETCQYMHSA-N 0 0 153.225 1.442 10 0 ADAERN NC(=O)[C@@H]1CCCC2(CC2)C1 217779293 344406255 /nfs/dbraw/zinc/40/62/55/344406255.db2.gz IGMHBBWBLFHPJM-SSDOTTSWSA-N 0 0 153.225 1.442 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@@](C)(C(=O)[O-])C1CC1 217822554 344406650 /nfs/dbraw/zinc/40/66/50/344406650.db2.gz KMEMYFBHFVDQJT-LDYMZIIASA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@@](C)(C(=O)[O-])C1CC1 217822632 344406681 /nfs/dbraw/zinc/40/66/81/344406681.db2.gz KMEMYFBHFVDQJT-GZMMTYOYSA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@@H](C)/C(C)=C1\CC(=O)NC1=O 217931824 344407909 /nfs/dbraw/zinc/40/79/09/344407909.db2.gz PGNDZFITUBQLDE-UCTBAKFRSA-N 0 0 181.235 1.396 10 0 ADAERN CC[C@H](C)/C(C)=C1\CC(=O)NC1=O 217931899 344407913 /nfs/dbraw/zinc/40/79/13/344407913.db2.gz PGNDZFITUBQLDE-KRHCVIHDSA-N 0 0 181.235 1.396 10 0 ADAERN C/C(=C1\CC(=O)NC1=O)C(C)(C)C 217969444 344408255 /nfs/dbraw/zinc/40/82/55/344408255.db2.gz PETDVUCYFGZBGX-SREVYHEPSA-N 0 0 181.235 1.396 10 0 ADAERN CCC/C(C)=C1\CC(=O)NC1=O 217954142 344408353 /nfs/dbraw/zinc/40/83/53/344408353.db2.gz QJSNAHYEHJISEA-VOTSOKGWSA-N 0 0 167.208 1.150 10 0 ADAERN CCn1cc(C=O)cc1C(=O)OC 217982805 344408378 /nfs/dbraw/zinc/40/83/78/344408378.db2.gz ZBVVJSNMPYIMBO-UHFFFAOYSA-N 0 0 181.191 1.107 10 0 ADAERN O=C1C/C(=C\C2CCCC2)C(=O)N1 217941242 344408465 /nfs/dbraw/zinc/40/84/65/344408465.db2.gz GUXYJMCCLVSOCY-VMPITWQZSA-N 0 0 179.219 1.150 10 0 ADAERN C/C(CC(C)C)=C1/CC(=O)NC1=O 217978850 344408503 /nfs/dbraw/zinc/40/85/03/344408503.db2.gz YQSWMGKAMUBGSS-BQYQJAHWSA-N 0 0 181.235 1.396 10 0 ADAERN Nc1cc(F)c(N)c(Cl)c1 217991694 344408910 /nfs/dbraw/zinc/40/89/10/344408910.db2.gz KJGVOIMOZRUCKF-UHFFFAOYSA-N 0 0 160.579 1.644 10 0 ADAERN COc1cncc(OC)c1Cl 218032933 344409442 /nfs/dbraw/zinc/40/94/42/344409442.db2.gz JXACODJDJDJPKC-UHFFFAOYSA-N 0 0 173.599 1.752 10 0 ADAERN CC(=O)C[C@@H](C)[N@@H+]1CCO[C@@H](C)C1 218137578 344409672 /nfs/dbraw/zinc/40/96/72/344409672.db2.gz XSBDRKYXJBXFKQ-SCZZXKLOSA-N 0 0 185.267 1.075 10 0 ADAERN C=CC(=O)Nc1ccc(NC)cc1 218106569 344409763 /nfs/dbraw/zinc/40/97/63/344409763.db2.gz DLDMLXQHJJMQFF-UHFFFAOYSA-N 0 0 176.219 1.853 10 0 ADAERN COC(=O)/C=C/c1cccc(F)c1O 218102431 344409854 /nfs/dbraw/zinc/40/98/54/344409854.db2.gz BDGGDHSLOCKLKD-AATRIKPKSA-N 0 0 196.177 1.718 10 0 ADAERN CC(=O)C[C@@H](C)[N@@H+]1CCOC[C@@H]1C 218137771 344409879 /nfs/dbraw/zinc/40/98/79/344409879.db2.gz QQNLLQDJDXVSMO-BDAKNGLRSA-N 0 0 185.267 1.075 10 0 ADAERN CCc1ncnc(Br)n1 218239324 344410506 /nfs/dbraw/zinc/41/05/06/344410506.db2.gz RJOLOBZECDXWDT-UHFFFAOYSA-N 0 0 188.028 1.197 10 0 ADAERN CCc1cncnc1Br 218240413 344410533 /nfs/dbraw/zinc/41/05/33/344410533.db2.gz OEZMVOSCMVKOAD-UHFFFAOYSA-N 0 0 187.040 1.802 10 0 ADAERN NC(=O)c1cc(F)c(F)nc1Cl 218216873 344410578 /nfs/dbraw/zinc/41/05/78/344410578.db2.gz JBLHYAFLUQSWOF-UHFFFAOYSA-N 0 0 192.552 1.112 10 0 ADAERN CC=C=C[C@H](O)CCC 218232557 344410620 /nfs/dbraw/zinc/41/06/20/344410620.db2.gz XGVKZHLWOKZCID-XCGJVMPOSA-N 0 0 126.199 1.879 10 0 ADAERN CC=C=C[C@@H](O)CCC 218232493 344410655 /nfs/dbraw/zinc/41/06/55/344410655.db2.gz XGVKZHLWOKZCID-DWHDZERNSA-N 0 0 126.199 1.879 10 0 ADAERN CC(=O)c1cc(N)c(O)cc1F 218229163 344410661 /nfs/dbraw/zinc/41/06/61/344410661.db2.gz HHRVFLMCPYALDU-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CC(C)(O)c1ccnc(Cl)c1 218252870 344411095 /nfs/dbraw/zinc/41/10/95/344411095.db2.gz UJYCQEQOWVMVCW-UHFFFAOYSA-N 0 0 171.627 1.962 10 0 ADAERN CCC[C@@]1(O)OC(=O)C(C)=C1C 218323342 344411415 /nfs/dbraw/zinc/41/14/15/344411415.db2.gz OEYMAAFDQHYJEF-SECBINFHSA-N 0 0 170.208 1.368 10 0 ADAERN C[C@H]1CC[C@@H](O)[C@H](C)CC[C@@H]1O 218329329 344411416 /nfs/dbraw/zinc/41/14/16/344411416.db2.gz PZIHHFKQTJPQQC-YNFQOJQRSA-N 0 0 172.268 1.554 10 0 ADAERN OCc1c(Cl)cnc2ncccc12 218337481 344411418 /nfs/dbraw/zinc/41/14/18/344411418.db2.gz GPPIVAOMCRGLIE-UHFFFAOYSA-N 0 0 194.621 1.776 10 0 ADAERN C[C@H]1CC[C@H](O)[C@H](C)CC[C@@H]1O 218329171 344411427 /nfs/dbraw/zinc/41/14/27/344411427.db2.gz PZIHHFKQTJPQQC-JXUBOQSCSA-N 0 0 172.268 1.554 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@H](C)CC[C@@H]1O 218329246 344411456 /nfs/dbraw/zinc/41/14/56/344411456.db2.gz PZIHHFKQTJPQQC-KYXWUPHJSA-N 0 0 172.268 1.554 10 0 ADAERN C#CC[C@H]1CCCCOC1=O 218356900 344411485 /nfs/dbraw/zinc/41/14/85/344411485.db2.gz QSOZTJMZPZROSY-QMMMGPOBSA-N 0 0 152.193 1.353 10 0 ADAERN C#CC[C@@H]1CCCCOC1=O 218356817 344411531 /nfs/dbraw/zinc/41/15/31/344411531.db2.gz QSOZTJMZPZROSY-MRVPVSSYSA-N 0 0 152.193 1.353 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H](C)CC[C@@H]1O 218329085 344411592 /nfs/dbraw/zinc/41/15/92/344411592.db2.gz PZIHHFKQTJPQQC-IMSYWVGJSA-N 0 0 172.268 1.554 10 0 ADAERN Cn1cc2ccc(Cl)nc2n1 218395965 344411802 /nfs/dbraw/zinc/41/18/02/344411802.db2.gz WZWVQSYMCSTYTO-UHFFFAOYSA-N 0 0 167.599 1.622 10 0 ADAERN CC(=O)[C@H](C)N1C[C@@H](C)OC[C@@H]1C 218373994 344411898 /nfs/dbraw/zinc/41/18/98/344411898.db2.gz UCYZETHZHCTOHL-YIZRAAEISA-N 0 0 185.267 1.073 10 0 ADAERN C/C=C(\Cl)C(=O)N(C)C 218397844 344412020 /nfs/dbraw/zinc/41/20/20/344412020.db2.gz QXFCHNQYHNYYMG-PLNGDYQASA-N 0 0 147.605 1.217 10 0 ADAERN C=CC[C@H](OC(C)=O)C(C)=O 218439914 344412240 /nfs/dbraw/zinc/41/22/40/344412240.db2.gz ZNBRYLAAXOTDPY-QMMMGPOBSA-N 0 0 156.181 1.083 10 0 ADAERN COc1cnc2ncccc2c1CO 218447759 344412395 /nfs/dbraw/zinc/41/23/95/344412395.db2.gz ANJNWNNMLPJDGX-UHFFFAOYSA-N 0 0 190.202 1.131 10 0 ADAERN C=CC[C@@H](OC(C)=O)C(C)=O 218439831 344412439 /nfs/dbraw/zinc/41/24/39/344412439.db2.gz ZNBRYLAAXOTDPY-MRVPVSSYSA-N 0 0 156.181 1.083 10 0 ADAERN Brc1nccc2c1NCC2 218468591 344412768 /nfs/dbraw/zinc/41/27/68/344412768.db2.gz FJJAZBCXWZXONF-UHFFFAOYSA-N 0 0 199.051 1.812 10 0 ADAERN O=Cc1cn2c(n1)-c1ncccc1C2 218471300 344412927 /nfs/dbraw/zinc/41/29/27/344412927.db2.gz MBEQWJTZGSVILD-UHFFFAOYSA-N 0 0 185.186 1.119 10 0 ADAERN C[C@]12CC=C[C@@H]1OC(=O)C2 218500726 344413166 /nfs/dbraw/zinc/41/31/66/344413166.db2.gz ISSZNLGDRGPXRE-POYBYMJQSA-N 0 0 138.166 1.268 10 0 ADAERN O=Cc1cn2c(n1)-c1cccnc1C2 218501971 344413171 /nfs/dbraw/zinc/41/31/71/344413171.db2.gz PRXSFFJWZAYFMF-UHFFFAOYSA-N 0 0 185.186 1.119 10 0 ADAERN C[C@@]12CC=C[C@H]1OC(=O)C2 218500805 344413224 /nfs/dbraw/zinc/41/32/24/344413224.db2.gz ISSZNLGDRGPXRE-SVRRBLITSA-N 0 0 138.166 1.268 10 0 ADAERN C[C@]12CC=C[C@H]1OC(=O)C2 218500885 344413227 /nfs/dbraw/zinc/41/32/27/344413227.db2.gz ISSZNLGDRGPXRE-HTRCEHHLSA-N 0 0 138.166 1.268 10 0 ADAERN O=Cc1cn2c(n1)-c1ccncc1C2 218513370 344413237 /nfs/dbraw/zinc/41/32/37/344413237.db2.gz VQINZYXQFHMTKI-UHFFFAOYSA-N 0 0 185.186 1.119 10 0 ADAERN Cc1nn2ccc(Cl)nc2c1C 218498815 344413334 /nfs/dbraw/zinc/41/33/34/344413334.db2.gz FINLYQJIAGUTLT-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN COC=C1CC(C(C)(C)O)C1 218553121 344413583 /nfs/dbraw/zinc/41/35/83/344413583.db2.gz HTPBZXKBZSRPTB-UHFFFAOYSA-N 0 0 156.225 1.698 10 0 ADAERN Cc1cc(N)nc(-c2ccnn2C)c1 218617753 344413893 /nfs/dbraw/zinc/41/38/93/344413893.db2.gz UUFAGHJWAMBPMU-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCCc1ncc(C)c(N)n1 218583854 344413914 /nfs/dbraw/zinc/41/39/14/344413914.db2.gz TWSGBHILEYNFKF-UHFFFAOYSA-N 0 0 151.213 1.320 10 0 ADAERN O=Cc1ccc2c(c1)SCCO2 218606160 344414015 /nfs/dbraw/zinc/41/40/15/344414015.db2.gz IQLMYBPXBIRRKC-UHFFFAOYSA-N 0 0 180.228 1.984 10 0 ADAERN CCCc1ncc(N)c(C)n1 218583378 344414021 /nfs/dbraw/zinc/41/40/21/344414021.db2.gz FFYUJFYBOOJFLI-UHFFFAOYSA-N 0 0 151.213 1.320 10 0 ADAERN Cc1nc(N)ccc1-c1cn(C)cn1 218617314 344414071 /nfs/dbraw/zinc/41/40/71/344414071.db2.gz NLLQQRUIQNCABH-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN OCc1ccc(-c2cocn2)cc1 218588732 344414086 /nfs/dbraw/zinc/41/40/86/344414086.db2.gz WCTRDEYZYGTHFI-UHFFFAOYSA-N 0 0 175.187 1.834 10 0 ADAERN ClNNc1ccncc1 218614896 344414103 /nfs/dbraw/zinc/41/41/03/344414103.db2.gz ZRXOSXKQAQTSRY-UHFFFAOYSA-N 0 0 143.577 1.152 10 0 ADAERN Cc1ccc(NC(=O)C=O)cc1 218631375 344414488 /nfs/dbraw/zinc/41/44/88/344414488.db2.gz XCTFWOLTJOQYPN-UHFFFAOYSA-N 0 0 163.176 1.132 10 0 ADAERN O=Cc1scnc1C(F)F 218694329 344415205 /nfs/dbraw/zinc/41/52/05/344415205.db2.gz RYDUKRHPBICIOU-UHFFFAOYSA-N 0 0 163.148 1.893 10 0 ADAERN C=CCCC(=O)C1CC(OC)(OC)C1 218717685 344415314 /nfs/dbraw/zinc/41/53/14/344415314.db2.gz PQAHFEQVRIFUIE-UHFFFAOYSA-N 0 0 198.262 1.921 10 0 ADAERN Nc1ccc(OC(F)(F)F)c(O)c1 218780359 344416323 /nfs/dbraw/zinc/41/63/23/344416323.db2.gz YJZHABDZXKPQLQ-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CCn1c(C=O)cc2ccncc21 218833779 344416877 /nfs/dbraw/zinc/41/68/77/344416877.db2.gz SYELFTCJARQHAH-UHFFFAOYSA-N 0 0 174.203 1.869 10 0 ADAERN Cc1cc(O)c(F)c(N)c1F 218868127 344417363 /nfs/dbraw/zinc/41/73/63/344417363.db2.gz ABEQAJQYQBMJMO-UHFFFAOYSA-N 0 0 159.135 1.561 10 0 ADAERN Cc1cc(O)c(C)c(N)c1F 218858428 344417453 /nfs/dbraw/zinc/41/74/53/344417453.db2.gz BWANUKDDTXUYRB-UHFFFAOYSA-N 0 0 155.172 1.730 10 0 ADAERN Nc1cc(F)c2c(N)noc2c1 218872148 344417525 /nfs/dbraw/zinc/41/75/25/344417525.db2.gz JILDEMZMDOHOBD-UHFFFAOYSA-N 0 0 167.143 1.131 10 0 ADAERN CNc1ccc(-c2ccc[nH]2)nn1 218904720 344417793 /nfs/dbraw/zinc/41/77/93/344417793.db2.gz OSVZUBOBWIMHLL-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN Cc1cnc(-c2ccco2)nc1N 218912534 344417824 /nfs/dbraw/zinc/41/78/24/344417824.db2.gz HGWCWLJWSYPSTE-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN NC(=O)C/C=C/c1ccc(F)cc1 218904329 344417932 /nfs/dbraw/zinc/41/79/32/344417932.db2.gz DRDFXLBGBCYYQU-OWOJBTEDSA-N 0 0 179.194 1.714 10 0 ADAERN CNc1ncc(C)cc1F 218905614 344417934 /nfs/dbraw/zinc/41/79/34/344417934.db2.gz DVOLLGZZUKXOKX-UHFFFAOYSA-N 0 0 140.161 1.571 10 0 ADAERN Cc1cc(N)cnc1N1CCC1 218877478 344418059 /nfs/dbraw/zinc/41/80/59/344418059.db2.gz ZAXAJBLKXMBELH-UHFFFAOYSA-N 0 0 163.224 1.182 10 0 ADAERN CCN(C(=O)C=O)c1ccccc1 218937229 344418279 /nfs/dbraw/zinc/41/82/79/344418279.db2.gz MIYZOLLXPQQMFT-UHFFFAOYSA-N 0 0 177.203 1.238 10 0 ADAERN Cc1nn(C)c(N)c1-c1ccc[nH]1 218926134 344418338 /nfs/dbraw/zinc/41/83/38/344418338.db2.gz QPUIKAKIPBDDGC-UHFFFAOYSA-N 0 0 176.223 1.306 10 0 ADAERN Nc1ccc2[nH]cc(F)c2c1 218945786 344418388 /nfs/dbraw/zinc/41/83/88/344418388.db2.gz SVUDOWPIDDHNFM-UHFFFAOYSA-N 0 0 150.156 1.889 10 0 ADAERN CCc1ccc([C@@H](O)[C@H](C)O)cc1 218972218 344418591 /nfs/dbraw/zinc/41/85/91/344418591.db2.gz XNFMVEDYFZCUNM-KWQFWETISA-N 0 0 180.247 1.663 10 0 ADAERN Cc1ccc(C)c([C@@H](O)[C@H](C)O)c1 218972511 344418603 /nfs/dbraw/zinc/41/86/03/344418603.db2.gz SCKMDXFWUAXJJR-ONGXEEELSA-N 0 0 180.247 1.718 10 0 ADAERN CCc1ccc([C@H](O)[C@H](C)O)cc1 218972191 344418605 /nfs/dbraw/zinc/41/86/05/344418605.db2.gz XNFMVEDYFZCUNM-GZMMTYOYSA-N 0 0 180.247 1.663 10 0 ADAERN Cc1ccc(C)c([C@H](O)[C@H](C)O)c1 218972480 344418611 /nfs/dbraw/zinc/41/86/11/344418611.db2.gz SCKMDXFWUAXJJR-GXSJLCMTSA-N 0 0 180.247 1.718 10 0 ADAERN Cc1ccc([C@H](O)[C@H](C)O)cc1C 218972338 344418673 /nfs/dbraw/zinc/41/86/73/344418673.db2.gz BQBITZUWDLBJLQ-GXSJLCMTSA-N 0 0 180.247 1.718 10 0 ADAERN CCc1ccc([C@@H](O)[C@@H](C)O)cc1 218972168 344418682 /nfs/dbraw/zinc/41/86/82/344418682.db2.gz XNFMVEDYFZCUNM-KCJUWKMLSA-N 0 0 180.247 1.663 10 0 ADAERN Cc1ccc([C@H](O)[C@@H](C)O)cc1C 218972270 344418689 /nfs/dbraw/zinc/41/86/89/344418689.db2.gz BQBITZUWDLBJLQ-MWLCHTKSSA-N 0 0 180.247 1.718 10 0 ADAERN Cc1ccc(C)c([C@@H](O)[C@@H](C)O)c1 218972450 344418692 /nfs/dbraw/zinc/41/86/92/344418692.db2.gz SCKMDXFWUAXJJR-KOLCDFICSA-N 0 0 180.247 1.718 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H](C)O)cc1C 218972306 344418719 /nfs/dbraw/zinc/41/87/19/344418719.db2.gz BQBITZUWDLBJLQ-KOLCDFICSA-N 0 0 180.247 1.718 10 0 ADAERN Cc1ccc([C@@H](O)[C@H](C)O)cc1C 218972371 344418743 /nfs/dbraw/zinc/41/87/43/344418743.db2.gz BQBITZUWDLBJLQ-ONGXEEELSA-N 0 0 180.247 1.718 10 0 ADAERN C[C@@H](O)CC(=O)N(C)c1ccccc1 218956384 344418791 /nfs/dbraw/zinc/41/87/91/344418791.db2.gz IMHCADMIYQSYGZ-SECBINFHSA-N 0 0 193.246 1.420 10 0 ADAERN CCc1ncnc(Cl)c1OC 219035141 344419056 /nfs/dbraw/zinc/41/90/56/344419056.db2.gz BTKUZNCRGJVDCK-UHFFFAOYSA-N 0 0 172.615 1.701 10 0 ADAERN c1cc(C2CCOCC2)n[nH]1 219004687 344419058 /nfs/dbraw/zinc/41/90/58/344419058.db2.gz JUOYWQIBQOXWAP-UHFFFAOYSA-N 0 0 152.197 1.304 10 0 ADAERN Cc1c(Cl)c(C(C)(C)O)nn1C 219004121 344419066 /nfs/dbraw/zinc/41/90/66/344419066.db2.gz IKDGAGSURAWEGL-UHFFFAOYSA-N 0 0 188.658 1.609 10 0 ADAERN FC(F)(F)Cc1cc[nH]n1 219031879 344419119 /nfs/dbraw/zinc/41/91/19/344419119.db2.gz FVILCKXIARCDGU-UHFFFAOYSA-N 0 0 150.103 1.515 10 0 ADAERN CS[C@H]1CCCOC1=O 219027555 344419153 /nfs/dbraw/zinc/41/91/53/344419153.db2.gz JEXYZXIJFSJTOX-YFKPBYRVSA-N 0 0 146.211 1.055 10 0 ADAERN FCCNc1nc2ccccc2[nH]1 219028687 344419168 /nfs/dbraw/zinc/41/91/68/344419168.db2.gz CKPIGMYGNJLGOJ-UHFFFAOYSA-N 0 0 179.198 1.944 10 0 ADAERN CCn1ccc(-c2ccncc2)n1 219019114 344419297 /nfs/dbraw/zinc/41/92/97/344419297.db2.gz BKZUYAUDRKBVSW-UHFFFAOYSA-N 0 0 173.219 1.965 10 0 ADAERN Cc1cc(-c2nn[nH]n2)cc(Cl)n1 218996135 344419300 /nfs/dbraw/zinc/41/93/00/344419300.db2.gz ZZLNOXALRGDMQS-UHFFFAOYSA-N 0 0 195.613 1.224 10 0 ADAERN CC[C@@H]1CC[C@@H](C(=O)[O-])[C@@H]([NH+](C)C)C1 219076995 344419440 /nfs/dbraw/zinc/41/94/40/344419440.db2.gz LYGXEAVSXJJDMF-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H]1CC[C@H](C(=O)[O-])[C@@H]([NH+](C)C)C1 219077138 344419449 /nfs/dbraw/zinc/41/94/49/344419449.db2.gz LYGXEAVSXJJDMF-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN CCC(=O)N1CC(C(C)(C)C)C1 219048491 344419458 /nfs/dbraw/zinc/41/94/58/344419458.db2.gz QVKVLWSELJJMIQ-UHFFFAOYSA-N 0 0 169.268 1.901 10 0 ADAERN CCNC(=O)N1CC(C(C)(C)C)C1 219050000 344419460 /nfs/dbraw/zinc/41/94/60/344419460.db2.gz SMJGTLSHNCYRCU-UHFFFAOYSA-N 0 0 184.283 1.694 10 0 ADAERN CCCNC(=O)C1=CCC1 219076868 344419506 /nfs/dbraw/zinc/41/95/06/344419506.db2.gz SAOGLJKVUFIERS-UHFFFAOYSA-N 0 0 139.198 1.233 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)[O-])[C@@H]([NH+](C)C)C1 219076815 344419534 /nfs/dbraw/zinc/41/95/34/344419534.db2.gz TXAZZNFSBMYONJ-VGMNWLOBSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)[O-])[C@@H]([NH+](C)C)C1 219076652 344419535 /nfs/dbraw/zinc/41/95/35/344419535.db2.gz TXAZZNFSBMYONJ-HLTSFMKQSA-N 0 0 185.267 1.437 10 0 ADAERN CC1(C(=O)[O-])CC[NH+](C2CC2)CC1 219055357 344419547 /nfs/dbraw/zinc/41/95/47/344419547.db2.gz CBCAHCVNKSEFME-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN CSc1ccc(C(N)=O)c(N)c1 219051389 344419566 /nfs/dbraw/zinc/41/95/66/344419566.db2.gz HVCIQUIMIFMXJZ-UHFFFAOYSA-N 0 0 182.248 1.090 10 0 ADAERN C[C@@H]([NH2+][C@@H]1C[C@@H]2CC=C[C@@H]21)C(=O)[O-] 219063580 344419642 /nfs/dbraw/zinc/41/96/42/344419642.db2.gz SMBJMFPENLOEPI-RYPBNFRJSA-N 0 0 181.235 1.014 10 0 ADAERN CN(C)C(=O)N1CC(C(C)(C)C)C1 219048161 344419685 /nfs/dbraw/zinc/41/96/85/344419685.db2.gz BVIRAYPNJCHGIQ-UHFFFAOYSA-N 0 0 184.283 1.646 10 0 ADAERN CCOC(=O)c1cn(C2CCC2)cn1 219092013 344419975 /nfs/dbraw/zinc/41/99/75/344419975.db2.gz HTEAIMZHOAJKLG-UHFFFAOYSA-N 0 0 194.234 1.785 10 0 ADAERN COc1c(Cl)cccc1NN 219092623 344419987 /nfs/dbraw/zinc/41/99/87/344419987.db2.gz BJLLXPZTDIIHNZ-UHFFFAOYSA-N 0 0 172.615 1.634 10 0 ADAERN OC[C@@H]1CC=C2C=CC=C2O1 219129098 344420040 /nfs/dbraw/zinc/42/00/40/344420040.db2.gz HKIVBUOLLLGQAC-QMMMGPOBSA-N 0 0 150.177 1.148 10 0 ADAERN CC1CN(C(=O)NC(C)C)C1 219108110 344420075 /nfs/dbraw/zinc/42/00/75/344420075.db2.gz QUPYMYBYVXYOOA-UHFFFAOYSA-N 0 0 156.229 1.056 10 0 ADAERN Cc1ccn(C2CC2)n1 219089434 344420088 /nfs/dbraw/zinc/42/00/88/344420088.db2.gz HZDHBIYBEDKQBG-UHFFFAOYSA-N 0 0 122.171 1.526 10 0 ADAERN OC[C@H]1CC=C2C=CC=C2O1 219129176 344420138 /nfs/dbraw/zinc/42/01/38/344420138.db2.gz HKIVBUOLLLGQAC-MRVPVSSYSA-N 0 0 150.177 1.148 10 0 ADAERN Nc1ccc(C2(O)CC2)c(F)c1 219093019 344420156 /nfs/dbraw/zinc/42/01/56/344420156.db2.gz VRLPBJOFUBQFAY-UHFFFAOYSA-N 0 0 167.183 1.389 10 0 ADAERN C=CC(=O)Nc1cccc(C=O)c1 219159176 344420588 /nfs/dbraw/zinc/42/05/88/344420588.db2.gz HFOGRVHBUWZDFA-UHFFFAOYSA-N 0 0 175.187 1.624 10 0 ADAERN O=C(COC(F)(F)F)c1ccco1 219196983 344420964 /nfs/dbraw/zinc/42/09/64/344420964.db2.gz WSBGPJGFLDADHZ-UHFFFAOYSA-N 0 0 194.108 1.999 10 0 ADAERN Cc1ccc(C[C@@H](C)C(N)=O)cc1 219225655 344421332 /nfs/dbraw/zinc/42/13/32/344421332.db2.gz DGBIPKBVGLUXJP-SECBINFHSA-N 0 0 177.247 1.659 10 0 ADAERN COc1ncc(C(F)(F)F)c(N)n1 219208463 344421475 /nfs/dbraw/zinc/42/14/75/344421475.db2.gz POLZTBGRRZEJFL-UHFFFAOYSA-N 0 0 193.128 1.086 10 0 ADAERN Cc1cc(S(C)(=O)=O)ccc1C=O 219222287 344421516 /nfs/dbraw/zinc/42/15/16/344421516.db2.gz VHTTXGRUUPJQJA-UHFFFAOYSA-N 0 0 198.243 1.211 10 0 ADAERN F[C@@H]1CNc2ccccc2C1 219210450 344421601 /nfs/dbraw/zinc/42/16/01/344421601.db2.gz HPLIKGWSNMMKRC-QMMMGPOBSA-N 0 0 151.184 1.993 10 0 ADAERN F[C@H]1CNc2ccccc2C1 219210528 344421641 /nfs/dbraw/zinc/42/16/41/344421641.db2.gz HPLIKGWSNMMKRC-MRVPVSSYSA-N 0 0 151.184 1.993 10 0 ADAERN C[C@H](O)[C@@H](O)c1cc(F)ccc1F 219292199 344422012 /nfs/dbraw/zinc/42/20/12/344422012.db2.gz WBVVABKYFWJYHO-SSDLBLMSSA-N 0 0 188.173 1.379 10 0 ADAERN C[C@@H](O)[C@H](O)c1cc(F)ccc1F 219292168 344421840 /nfs/dbraw/zinc/42/18/40/344421840.db2.gz WBVVABKYFWJYHO-ANLVUFKYSA-N 0 0 188.173 1.379 10 0 ADAERN C=Cc1ccc2c(=O)[nH]ncc2c1 219265776 344421847 /nfs/dbraw/zinc/42/18/47/344421847.db2.gz XPSZLKCDMCNDRB-UHFFFAOYSA-N 0 0 172.187 1.566 10 0 ADAERN CCC[C@H](O)[C@H]1CCO[C@@H](C)C1 219285875 344421941 /nfs/dbraw/zinc/42/19/41/344421941.db2.gz YHOBKEVMZZRHES-GUBZILKMSA-N 0 0 172.268 1.963 10 0 ADAERN COc1nc(N)ncc1C(F)(F)F 219243791 344421982 /nfs/dbraw/zinc/42/19/82/344421982.db2.gz UIVFBCMJTBIHBC-UHFFFAOYSA-N 0 0 193.128 1.086 10 0 ADAERN CCc1ccc(C=O)cc1C(=O)OC 219294766 344421991 /nfs/dbraw/zinc/42/19/91/344421991.db2.gz HGGAMZRZMAKMSU-UHFFFAOYSA-N 0 0 192.214 1.848 10 0 ADAERN CS[C@@H]1CCCC[C@@H]1NC(N)=O 219299470 344421995 /nfs/dbraw/zinc/42/19/95/344421995.db2.gz QWLWGPZJJBEGME-NKWVEPMBSA-N 0 0 188.296 1.329 10 0 ADAERN CS[C@H]1CCCC[C@H]1NC(N)=O 219299551 344422029 /nfs/dbraw/zinc/42/20/29/344422029.db2.gz QWLWGPZJJBEGME-RQJHMYQMSA-N 0 0 188.296 1.329 10 0 ADAERN CSCCC(=O)N(C)C(C)C 219282596 344422037 /nfs/dbraw/zinc/42/20/37/344422037.db2.gz JVIFAIMIRSJXFS-UHFFFAOYSA-N 0 0 175.297 1.606 10 0 ADAERN C[C@@H](O)[C@@H](O)c1cc(F)ccc1F 219292227 344422044 /nfs/dbraw/zinc/42/20/44/344422044.db2.gz WBVVABKYFWJYHO-MLUIRONXSA-N 0 0 188.173 1.379 10 0 ADAERN C[C@H](O)[C@@H](O)c1ccc(F)c(F)c1 219292322 344422054 /nfs/dbraw/zinc/42/20/54/344422054.db2.gz TZOHRKKDDQNYHA-SSDLBLMSSA-N 0 0 188.173 1.379 10 0 ADAERN NOCc1nnc(C2CCCCC2)[nH]1 219243103 344422061 /nfs/dbraw/zinc/42/20/61/344422061.db2.gz KXSGQGOZDGGHGV-UHFFFAOYSA-N 0 0 196.254 1.243 10 0 ADAERN C[C@H](O)[C@H](O)c1cc(F)ccc1F 219292139 344422065 /nfs/dbraw/zinc/42/20/65/344422065.db2.gz WBVVABKYFWJYHO-CDUCUWFYSA-N 0 0 188.173 1.379 10 0 ADAERN CCC[C@H](O)[C@@H]1CCO[C@@H](C)C1 219285809 344422081 /nfs/dbraw/zinc/42/20/81/344422081.db2.gz YHOBKEVMZZRHES-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN CS[C@H]1CCCC[C@@H]1NC(N)=O 219299495 344422137 /nfs/dbraw/zinc/42/21/37/344422137.db2.gz QWLWGPZJJBEGME-BQBZGAKWSA-N 0 0 188.296 1.329 10 0 ADAERN C[C@H](O)[C@H](O)c1ccc(F)c(F)c1 219292265 344422144 /nfs/dbraw/zinc/42/21/44/344422144.db2.gz TZOHRKKDDQNYHA-CDUCUWFYSA-N 0 0 188.173 1.379 10 0 ADAERN CCC[C@H](CC=O)C(=O)OCC 219277281 344422194 /nfs/dbraw/zinc/42/21/94/344422194.db2.gz JIXVAIWKTFBWRS-MRVPVSSYSA-N 0 0 172.224 1.555 10 0 ADAERN C[C@@H](O)[C@H](O)c1ccc(F)c(F)c1 219292293 344422207 /nfs/dbraw/zinc/42/22/07/344422207.db2.gz TZOHRKKDDQNYHA-ANLVUFKYSA-N 0 0 188.173 1.379 10 0 ADAERN CO[C@@H]1CCCC[C@]12CNC(=O)C2 219311055 344422373 /nfs/dbraw/zinc/42/23/73/344422373.db2.gz MQPNQTONBKYASX-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN CO[C@H]1CCCC[C@@]12CNC(=O)C2 219311114 344422403 /nfs/dbraw/zinc/42/24/03/344422403.db2.gz MQPNQTONBKYASX-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN CO[C@@H]1CCCC[C@@]12CNC(=O)C2 219311083 344422464 /nfs/dbraw/zinc/42/24/64/344422464.db2.gz MQPNQTONBKYASX-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1NCCCC[C@@H]1n1cccc1 219334671 344422488 /nfs/dbraw/zinc/42/24/88/344422488.db2.gz MNHLSLASGKFCSU-VIFPVBQESA-N 0 0 178.235 1.329 10 0 ADAERN O=C1NCCCC[C@H]1n1cccc1 219334602 344422507 /nfs/dbraw/zinc/42/25/07/344422507.db2.gz MNHLSLASGKFCSU-SECBINFHSA-N 0 0 178.235 1.329 10 0 ADAERN C[C@H](O)[C@H](O)c1c[nH]c2ccccc12 219323816 344422556 /nfs/dbraw/zinc/42/25/56/344422556.db2.gz DWVMGOCYURREFO-CPCISQLKSA-N 0 0 191.230 1.582 10 0 ADAERN C[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12 219323893 344422568 /nfs/dbraw/zinc/42/25/68/344422568.db2.gz DWVMGOCYURREFO-RDDDGLTNSA-N 0 0 191.230 1.582 10 0 ADAERN C[C@H](O)[C@@H](O)c1c[nH]c2ccccc12 219323869 344422602 /nfs/dbraw/zinc/42/26/02/344422602.db2.gz DWVMGOCYURREFO-WRWORJQWSA-N 0 0 191.230 1.582 10 0 ADAERN CC(C)C(=O)N(C)c1ccc(N)cn1 219372507 344423168 /nfs/dbraw/zinc/42/31/68/344423168.db2.gz MUTKIJFDGLASSY-UHFFFAOYSA-N 0 0 193.250 1.283 10 0 ADAERN CC(C)(O)C(=O)C1CCCC1 219376148 344423183 /nfs/dbraw/zinc/42/31/83/344423183.db2.gz HUFMPMJCGVDQDJ-UHFFFAOYSA-N 0 0 156.225 1.517 10 0 ADAERN O=C1N[C@H](/C=C\c2ccco2)CO1 219374063 344423256 /nfs/dbraw/zinc/42/32/56/344423256.db2.gz IQVHJTCATZEJPA-KFOINNEUSA-N 0 0 179.175 1.401 10 0 ADAERN C[C@@H]1CC[C@@H](C(F)(F)F)NC1 219401037 344423547 /nfs/dbraw/zinc/42/35/47/344423547.db2.gz KZGMJUNZDWXKBF-RITPCOANSA-N 0 0 167.174 1.937 10 0 ADAERN C[C@H]1CC[C@H](C(F)(F)F)NC1 219400969 344423579 /nfs/dbraw/zinc/42/35/79/344423579.db2.gz KZGMJUNZDWXKBF-NTSWFWBYSA-N 0 0 167.174 1.937 10 0 ADAERN CC(=O)N1CCC[C@@H](C(C)(C)O)C1 219415474 344423605 /nfs/dbraw/zinc/42/36/05/344423605.db2.gz AIFKSKLJABEKHT-SECBINFHSA-N 0 0 185.267 1.016 10 0 ADAERN CC(=O)N1CCC[C@H](C(C)(C)O)C1 219415392 344423608 /nfs/dbraw/zinc/42/36/08/344423608.db2.gz AIFKSKLJABEKHT-VIFPVBQESA-N 0 0 185.267 1.016 10 0 ADAERN C[C@@H]1CC[C@H](C(F)(F)F)NC1 219400893 344423618 /nfs/dbraw/zinc/42/36/18/344423618.db2.gz KZGMJUNZDWXKBF-PHDIDXHHSA-N 0 0 167.174 1.937 10 0 ADAERN COc1ccc(N(C)C)nc1 219425210 344423655 /nfs/dbraw/zinc/42/36/55/344423655.db2.gz ZUVWGRWANXPCLO-UHFFFAOYSA-N 0 0 152.197 1.156 10 0 ADAERN C[C@H]1CC[C@@H](C(F)(F)F)NC1 219401106 344423741 /nfs/dbraw/zinc/42/37/41/344423741.db2.gz KZGMJUNZDWXKBF-WDSKDSINSA-N 0 0 167.174 1.937 10 0 ADAERN COC1CCN(CC(F)(F)F)CC1 219430442 344424001 /nfs/dbraw/zinc/42/40/01/344424001.db2.gz CYZHLAKKIZICFL-UHFFFAOYSA-N 0 0 197.200 1.660 10 0 ADAERN NC(=O)c1ccc(NC2CC2)cc1 219454296 344424042 /nfs/dbraw/zinc/42/40/42/344424042.db2.gz MIFCOJJIOIEYNY-UHFFFAOYSA-N 0 0 176.219 1.360 10 0 ADAERN Cc1ncnc(N[C@@H]2C[C@@H]2C)c1F 219433739 344424099 /nfs/dbraw/zinc/42/40/99/344424099.db2.gz ZJCDDFAHVORDEA-CAHLUQPWSA-N 0 0 181.214 1.744 10 0 ADAERN Cc1ncnc(N[C@@H]2C[C@H]2C)c1F 219433874 344424126 /nfs/dbraw/zinc/42/41/26/344424126.db2.gz ZJCDDFAHVORDEA-IYSWYEEDSA-N 0 0 181.214 1.744 10 0 ADAERN Cc1ncnc(N[C@H]2C[C@@H]2C)c1F 219433806 344424150 /nfs/dbraw/zinc/42/41/50/344424150.db2.gz ZJCDDFAHVORDEA-FSPLSTOPSA-N 0 0 181.214 1.744 10 0 ADAERN C[Si](C)(C)c1cnc(N)s1 219452201 344424163 /nfs/dbraw/zinc/42/41/63/344424163.db2.gz UEGLRPNGTBLULH-UHFFFAOYSA-N 0 0 172.329 1.271 10 0 ADAERN COC(=O)CCC1(O)CCCC1 219439193 344424243 /nfs/dbraw/zinc/42/42/43/344424243.db2.gz SFTHTRQHPCPCNS-UHFFFAOYSA-N 0 0 172.224 1.245 10 0 ADAERN CN1CCC[C@H]1F 219509981 344424523 /nfs/dbraw/zinc/42/45/23/344424523.db2.gz KVIJZIBSUAAIQB-YFKPBYRVSA-N 0 0 103.140 1.008 10 0 ADAERN CC(C)[N@@H+]1CC/C(=C/C(=O)[O-])C1 219492003 344424574 /nfs/dbraw/zinc/42/45/74/344424574.db2.gz MQEYKILYRSITBL-YVMONPNESA-N 0 0 169.224 1.112 10 0 ADAERN CCCC=C=CC(=O)OC 219506883 344424578 /nfs/dbraw/zinc/42/45/78/344424578.db2.gz ZLKQUWAEFJUGND-UHFFFAOYSA-N 0 0 140.182 1.671 10 0 ADAERN COc1cccc2c1C(=O)N(C)C2 219491414 344424675 /nfs/dbraw/zinc/42/46/75/344424675.db2.gz ZKDYNKLJAOOFNV-UHFFFAOYSA-N 0 0 177.203 1.281 10 0 ADAERN CCOc1ccc(CC(=O)OC)nc1 219509601 344424704 /nfs/dbraw/zinc/42/47/04/344424704.db2.gz KXRJLYHLFONTOU-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN CN1CCCCC[C@H]1F 219509347 344424720 /nfs/dbraw/zinc/42/47/20/344424720.db2.gz WFQAFLSZONOCAF-ZETCQYMHSA-N 0 0 131.194 1.788 10 0 ADAERN CNC(=O)[C@H]1CCC[C@@H]1C 219526569 344425054 /nfs/dbraw/zinc/42/50/54/344425054.db2.gz HNGMSJRHYPOWFR-BQBZGAKWSA-N 0 0 141.214 1.169 10 0 ADAERN NC(=O)Nc1ncccc1Cl 219528958 344425067 /nfs/dbraw/zinc/42/50/67/344425067.db2.gz PLKKJUPXNPNMOC-UHFFFAOYSA-N 0 0 171.587 1.226 10 0 ADAERN COCOc1ccc(/C=C/CO)cc1 219551958 344425092 /nfs/dbraw/zinc/42/50/92/344425092.db2.gz JVAAIJFLZLUWQX-NSCUHMNNSA-N 0 0 194.230 1.675 10 0 ADAERN CCOC(=O)N1CCC[C@@H](OC)C1 219555254 344425097 /nfs/dbraw/zinc/42/50/97/344425097.db2.gz ROZPHBQSQNQGCY-MRVPVSSYSA-N 0 0 187.239 1.254 10 0 ADAERN CCn1ccc(Cl)c1C=O 219525967 344425108 /nfs/dbraw/zinc/42/51/08/344425108.db2.gz SYLOEZBPYBPRIZ-UHFFFAOYSA-N 0 0 157.600 1.974 10 0 ADAERN CCNC(=O)[C@H]1C[C@@H]1CC 219555791 344425114 /nfs/dbraw/zinc/42/51/14/344425114.db2.gz HCSFFIMATOWFDZ-BQBZGAKWSA-N 0 0 141.214 1.169 10 0 ADAERN COC(=O)[C@@H](C)c1ccc(F)c(N)c1 219553620 344425132 /nfs/dbraw/zinc/42/51/32/344425132.db2.gz HLNBNTFIXNCTGX-LURJTMIESA-N 0 0 197.209 1.684 10 0 ADAERN CCCn1cnc(CCC(=O)OC)c1 219525657 344425134 /nfs/dbraw/zinc/42/51/34/344425134.db2.gz INEPILFTJQGLLN-UHFFFAOYSA-N 0 0 196.250 1.399 10 0 ADAERN CC[C@H]1C[C@@H]1C(=O)NC(C)C 219556918 344425149 /nfs/dbraw/zinc/42/51/49/344425149.db2.gz PUZDJLDEHDDCKC-YUMQZZPRSA-N 0 0 155.241 1.557 10 0 ADAERN CNC(=O)Nc1ncccc1Cl 219529969 344425169 /nfs/dbraw/zinc/42/51/69/344425169.db2.gz DTFZZNMCUNPZDO-UHFFFAOYSA-N 0 0 185.614 1.486 10 0 ADAERN CCOC(=O)N1CCC[C@H](OC)C1 219555338 344425172 /nfs/dbraw/zinc/42/51/72/344425172.db2.gz ROZPHBQSQNQGCY-QMMMGPOBSA-N 0 0 187.239 1.254 10 0 ADAERN Cc1c(Cl)cccc1CNN 219594522 344425452 /nfs/dbraw/zinc/42/54/52/344425452.db2.gz YVQSWANZLKFSOM-UHFFFAOYSA-N 0 0 170.643 1.612 10 0 ADAERN O=Cc1cnn2cc(Cl)cnc12 219603395 344425469 /nfs/dbraw/zinc/42/54/69/344425469.db2.gz SWBWFCFXMNECFZ-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN c1ccc2nn(-c3cnccn3)nc2c1 219601861 344425771 /nfs/dbraw/zinc/42/57/71/344425771.db2.gz LVGOIHRUHIGJDN-UHFFFAOYSA-N 0 0 197.201 1.211 10 0 ADAERN CC1CCN(c2cccnn2)CC1 219671927 344426710 /nfs/dbraw/zinc/42/67/10/344426710.db2.gz XHRQXWZWNIQWNQ-UHFFFAOYSA-N 0 0 177.251 1.713 10 0 ADAERN CC(C)O[C@H]1CCC[C@@H](O)C1 219646589 344426737 /nfs/dbraw/zinc/42/67/37/344426737.db2.gz LJSWXOBWJKXQKN-BDAKNGLRSA-N 0 0 158.241 1.715 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@@H](C)[C@@H](C)C1 219694623 344426764 /nfs/dbraw/zinc/42/67/64/344426764.db2.gz XPPHPXYUYXGDQU-KXUCPTDWSA-N 0 0 199.294 1.683 10 0 ADAERN CC(C)O[C@@H]1CCC[C@H](O)C1 219646381 344426794 /nfs/dbraw/zinc/42/67/94/344426794.db2.gz LJSWXOBWJKXQKN-DTWKUNHWSA-N 0 0 158.241 1.715 10 0 ADAERN Cc1c([Si](C)(C)C)cnn1C 219714315 344427005 /nfs/dbraw/zinc/42/70/05/344427005.db2.gz NNUGLCKPSBYJSU-UHFFFAOYSA-N 0 0 168.316 1.274 10 0 ADAERN CC(C)O[C@@H]1CCC[C@@H](O)C1 219646521 344426847 /nfs/dbraw/zinc/42/68/47/344426847.db2.gz LJSWXOBWJKXQKN-RKDXNWHRSA-N 0 0 158.241 1.715 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[NH+]1C[C@H](C)[C@@H](C)C1 219694710 344426861 /nfs/dbraw/zinc/42/68/61/344426861.db2.gz XPPHPXYUYXGDQU-LPEHRKFASA-N 0 0 199.294 1.683 10 0 ADAERN C[C@@H](C[N@H+]1C[C@@H](C)[C@@H](C)C1)C(=O)[O-] 219692572 344426948 /nfs/dbraw/zinc/42/69/48/344426948.db2.gz STIMHDXUHWLNBJ-YIZRAAEISA-N 0 0 185.267 1.295 10 0 ADAERN CN1c2ccccc2CC[C@@H]1CCO 219701044 344426955 /nfs/dbraw/zinc/42/69/55/344426955.db2.gz PPCZHWXIDLHNPC-LLVKDONJSA-N 0 0 191.274 1.820 10 0 ADAERN Nc1n[nH]c(C2CCOCC2)c1F 219715519 344426966 /nfs/dbraw/zinc/42/69/66/344426966.db2.gz FEOMRTMVNDTVAL-UHFFFAOYSA-N 0 0 185.202 1.025 10 0 ADAERN Cc1nc(CC2CC2)no1 219706394 344426998 /nfs/dbraw/zinc/42/69/98/344426998.db2.gz XIRXIWABHBDQIC-UHFFFAOYSA-N 0 0 138.170 1.331 10 0 ADAERN CC(C)O[C@H]1CCC[C@H](O)C1 219646456 344427010 /nfs/dbraw/zinc/42/70/10/344427010.db2.gz LJSWXOBWJKXQKN-IUCAKERBSA-N 0 0 158.241 1.715 10 0 ADAERN CN1c2ccccc2CC[C@H]1CCO 219701120 344427013 /nfs/dbraw/zinc/42/70/13/344427013.db2.gz PPCZHWXIDLHNPC-NSHDSACASA-N 0 0 191.274 1.820 10 0 ADAERN C[C@@H]1C[N@H+]([C@H](C)CC(=O)[O-])C[C@@H]1C 219695032 344427062 /nfs/dbraw/zinc/42/70/62/344427062.db2.gz LMRTZDHPVUGJHN-HRDYMLBCSA-N 0 0 185.267 1.437 10 0 ADAERN CCc1cnc(N)nc1C(C)(C)C 219687495 344427050 /nfs/dbraw/zinc/42/70/50/344427050.db2.gz LQTKNWHCEKOCQV-UHFFFAOYSA-N 0 0 179.267 1.919 10 0 ADAERN O=C1CC[C@H]2CCCCCCN12 219666762 344427055 /nfs/dbraw/zinc/42/70/55/344427055.db2.gz SNDLWDDYQFOWKJ-SECBINFHSA-N 0 0 167.252 1.942 10 0 ADAERN Cc1cnc(C(C)(C)C)nc1N 219679442 344427080 /nfs/dbraw/zinc/42/70/80/344427080.db2.gz XRCWEDMATXVTCV-UHFFFAOYSA-N 0 0 165.240 1.665 10 0 ADAERN CCO[C@H]1[C@@H](O)C[C@H](C)C[C@H]1C 219707545 344427095 /nfs/dbraw/zinc/42/70/95/344427095.db2.gz OGNMQASQGFPEAJ-DOLQZWNJSA-N 0 0 172.268 1.818 10 0 ADAERN Cc1ccc(-n2ccc(N)n2)c(F)c1 219757488 344427403 /nfs/dbraw/zinc/42/74/03/344427403.db2.gz JLSMOKDCGCWPPB-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN C[Si](C)(C)/C=C/N1CCCC1=O 219734521 344427415 /nfs/dbraw/zinc/42/74/15/344427415.db2.gz NDKHOPDLKZHCQR-BQYQJAHWSA-N 0 0 183.327 2.000 10 0 ADAERN Cc1ncc(-c2nccc(N)n2)s1 219757077 344427464 /nfs/dbraw/zinc/42/74/64/344427464.db2.gz JBCPOPJITUJAPC-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCCCC(=O)CC(=O)N(C)C 219761914 344427541 /nfs/dbraw/zinc/42/75/41/344427541.db2.gz RBBKDYLDWRZLPA-UHFFFAOYSA-N 0 0 171.240 1.224 10 0 ADAERN Nc1n[nH]c(-c2ccccn2)c1F 219718264 344427640 /nfs/dbraw/zinc/42/76/40/344427640.db2.gz ZTGUBUNEZCKEMA-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN Cc1ccc(-c2noc(N)n2)nc1 219755816 344427659 /nfs/dbraw/zinc/42/76/59/344427659.db2.gz JCWSRBCCPWGLFD-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=S(=O)(CF)c1ccc(F)cc1 219766428 344427696 /nfs/dbraw/zinc/42/76/96/344427696.db2.gz OHEZSEDWIYBNDO-UHFFFAOYSA-N 0 0 192.186 1.526 10 0 ADAERN Cc1cnc(-c2nccc(N)n2)s1 219754739 344427702 /nfs/dbraw/zinc/42/77/02/344427702.db2.gz ZQRIJVCSEFFSSO-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cnc(-c2nc(N)cs2)cn1 219756961 344427730 /nfs/dbraw/zinc/42/77/30/344427730.db2.gz ATTLOFLLJFPCIR-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN COC[C@@H](C)N1CCC(=O)C[C@@H]1C 219759383 344427803 /nfs/dbraw/zinc/42/78/03/344427803.db2.gz IJGAGVHYQUMSOQ-DTWKUNHWSA-N 0 0 185.267 1.075 10 0 ADAERN OCCc1ccc2c(n1)CCCC2 219833218 344428324 /nfs/dbraw/zinc/42/83/24/344428324.db2.gz OWXAQVNYEPDEPM-UHFFFAOYSA-N 0 0 177.247 1.495 10 0 ADAERN OCCc1ccc2sccc2n1 219834692 344428359 /nfs/dbraw/zinc/42/83/59/344428359.db2.gz ONTRQBLGZCFMEX-UHFFFAOYSA-N 0 0 179.244 1.831 10 0 ADAERN OCC/C=C/C1CC1 219840498 344428443 /nfs/dbraw/zinc/42/84/43/344428443.db2.gz LQJXQXWCIKZTAH-HNQUOIGGSA-N 0 0 112.172 1.335 10 0 ADAERN Nc1cccc(N2C[C@H]3C[C@H]3C2)[nH+]1 219798410 344428464 /nfs/dbraw/zinc/42/84/64/344428464.db2.gz UZNIJIRUBVWGCZ-OCAPTIKFSA-N 0 0 175.235 1.120 10 0 ADAERN CC(=O)C[C@@H]1CCCC[C@@]1(C)O 219844338 344428716 /nfs/dbraw/zinc/42/87/16/344428716.db2.gz ZAJYIVRLFJAALV-VHSXEESVSA-N 0 0 170.252 1.907 10 0 ADAERN CCC(C)(C)C(=O)[C@H](C)O 219891237 344428742 /nfs/dbraw/zinc/42/87/42/344428742.db2.gz VGXXEZJDXZRURQ-LURJTMIESA-N 0 0 144.214 1.373 10 0 ADAERN CC(=O)C[C@H]1CCCC[C@@]1(C)O 219844387 344428757 /nfs/dbraw/zinc/42/87/57/344428757.db2.gz ZAJYIVRLFJAALV-NXEZZACHSA-N 0 0 170.252 1.907 10 0 ADAERN Nc1cnc(-n2cccn2)c(Cl)c1 219883515 344428810 /nfs/dbraw/zinc/42/88/10/344428810.db2.gz XQEBWVOBGCAVBT-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN O=C1CC[C@@H](O)c2sccc2N1 219892991 344428999 /nfs/dbraw/zinc/42/89/99/344428999.db2.gz KGWMNINOMKGYCT-ZCFIWIBFSA-N 0 0 183.232 1.514 10 0 ADAERN O=C1CC[C@H](O)c2sccc2N1 219892953 344429042 /nfs/dbraw/zinc/42/90/42/344429042.db2.gz KGWMNINOMKGYCT-LURJTMIESA-N 0 0 183.232 1.514 10 0 ADAERN Cc1cnc2c(C)cnn2c1 219940989 344429277 /nfs/dbraw/zinc/42/92/77/344429277.db2.gz GYEYCZHIOLKXDU-UHFFFAOYSA-N 0 0 147.181 1.346 10 0 ADAERN CCc1ncnc2c1CCN2 219923714 344429468 /nfs/dbraw/zinc/42/94/68/344429468.db2.gz WHWQBNUCWVERQH-UHFFFAOYSA-N 0 0 149.197 1.007 10 0 ADAERN Cc1cc(N)cnc1C1CC1 219990886 344429731 /nfs/dbraw/zinc/42/97/31/344429731.db2.gz BSSLNJYIXMSTHZ-UHFFFAOYSA-N 0 0 148.209 1.850 10 0 ADAERN CC(C)(C)C(=O)N[C@@H]1CCCC1=O 219970795 344429830 /nfs/dbraw/zinc/42/98/30/344429830.db2.gz MBYHETMVNODDQA-SSDOTTSWSA-N 0 0 183.251 1.270 10 0 ADAERN C=C=C[C@]1(O)C(=O)Nc2ccccc21 220002227 344430046 /nfs/dbraw/zinc/43/00/46/344430046.db2.gz JWXLNOQRSLEVSR-LLVKDONJSA-N 0 0 187.198 1.167 10 0 ADAERN OC/C=C/Cc1ccc(F)cc1 220041151 344430257 /nfs/dbraw/zinc/43/02/57/344430257.db2.gz RNPOEJKHFKMTQM-OWOJBTEDSA-N 0 0 166.195 1.917 10 0 ADAERN C[C@H]1C[C@@H](Nc2ncns2)CCO1 220122709 344430487 /nfs/dbraw/zinc/43/04/87/344430487.db2.gz QYBSRSFFHYGCKJ-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN OCCc1ccc2cnccc2n1 220123917 344430500 /nfs/dbraw/zinc/43/05/00/344430500.db2.gz GBBZDMARQRENSV-UHFFFAOYSA-N 0 0 174.203 1.165 10 0 ADAERN C=COCCn1cccc1 220129955 344430506 /nfs/dbraw/zinc/43/05/06/344430506.db2.gz DNNSTCISIOYFTR-UHFFFAOYSA-N 0 0 137.182 1.648 10 0 ADAERN CC(C)(C)OC(=O)[C@H]1NC1(C)C 220117981 344430511 /nfs/dbraw/zinc/43/05/11/344430511.db2.gz JGAPPPNNQWYENS-ZCFIWIBFSA-N 0 0 171.240 1.079 10 0 ADAERN C[C@@H]1CCc2cccc3[nH]c(=O)n1c23 220127698 344430534 /nfs/dbraw/zinc/43/05/34/344430534.db2.gz BQBQCZZOQRPXRX-SSDOTTSWSA-N 0 0 188.230 1.837 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ncns2)CCO1 220122643 344430568 /nfs/dbraw/zinc/43/05/68/344430568.db2.gz QYBSRSFFHYGCKJ-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN COc1ccc(C)c(F)n1 220116560 344430572 /nfs/dbraw/zinc/43/05/72/344430572.db2.gz VKLMAJZETAJDPZ-UHFFFAOYSA-N 0 0 141.145 1.538 10 0 ADAERN CCSCCC(=O)N(C)CC 220131882 344430600 /nfs/dbraw/zinc/43/06/00/344430600.db2.gz ARIUERDNDSYWOZ-UHFFFAOYSA-N 0 0 175.297 1.608 10 0 ADAERN C[C@@H]1C[C@H](Nc2ncns2)CCO1 220122780 344430613 /nfs/dbraw/zinc/43/06/13/344430613.db2.gz QYBSRSFFHYGCKJ-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN CC(C)(C)OC(=O)[C@@H]1NC1(C)C 220117905 344430627 /nfs/dbraw/zinc/43/06/27/344430627.db2.gz JGAPPPNNQWYENS-LURJTMIESA-N 0 0 171.240 1.079 10 0 ADAERN C[C@H]1CCc2cccc3[nH]c(=O)n1c23 220127766 344430629 /nfs/dbraw/zinc/43/06/29/344430629.db2.gz BQBQCZZOQRPXRX-ZETCQYMHSA-N 0 0 188.230 1.837 10 0 ADAERN C=CNC(=O)c1c(F)cccc1F 220120581 344430631 /nfs/dbraw/zinc/43/06/31/344430631.db2.gz SKKHSTYULRKBCP-UHFFFAOYSA-N 0 0 183.157 1.838 10 0 ADAERN C[C@H]1C[C@H](Nc2ncns2)CCO1 220122849 344430636 /nfs/dbraw/zinc/43/06/36/344430636.db2.gz QYBSRSFFHYGCKJ-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H](O)C1=CCCCO1 220224954 344430887 /nfs/dbraw/zinc/43/08/87/344430887.db2.gz GWSVGZGUYTWALT-DVVUODLYSA-N 0 0 198.262 1.467 10 0 ADAERN O=C(OCc1ccccc1)[C@H](O)CF 220151278 344430889 /nfs/dbraw/zinc/43/08/89/344430889.db2.gz BCFGFPIKYAEZEF-SECBINFHSA-N 0 0 198.193 1.060 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H](O)C1=CCCCO1 220224828 344430940 /nfs/dbraw/zinc/43/09/40/344430940.db2.gz GWSVGZGUYTWALT-MIMYLULJSA-N 0 0 198.262 1.467 10 0 ADAERN C[C@@H]1CC([C@@H]([NH3+])C(=O)[O-])C[C@@H](C)C1 220211811 344430953 /nfs/dbraw/zinc/43/09/53/344430953.db2.gz OKQUKSPXMZEXSM-ACLDMZEESA-N 0 0 185.267 1.471 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)C1=CCCCO1 220222169 344430960 /nfs/dbraw/zinc/43/09/60/344430960.db2.gz JYMMCTYVXWHOSN-KHQFGBGNSA-N 0 0 168.236 1.698 10 0 ADAERN CO[C@@H](CO)C(C)(C)C 220143102 344430963 /nfs/dbraw/zinc/43/09/63/344430963.db2.gz OLAMZUGBKQCZAM-LURJTMIESA-N 0 0 132.203 1.040 10 0 ADAERN O=C(OCc1ccccc1)[C@@H](O)CF 220151337 344431098 /nfs/dbraw/zinc/43/10/98/344431098.db2.gz BCFGFPIKYAEZEF-VIFPVBQESA-N 0 0 198.193 1.060 10 0 ADAERN CO[C@H](CO)C(C)(C)C 220143047 344431100 /nfs/dbraw/zinc/43/11/00/344431100.db2.gz OLAMZUGBKQCZAM-ZCFIWIBFSA-N 0 0 132.203 1.040 10 0 ADAERN C[C@H]1CC([C@@H]([NH3+])C(=O)[O-])C[C@H](C)C1 220211667 344431133 /nfs/dbraw/zinc/43/11/33/344431133.db2.gz OKQUKSPXMZEXSM-ZXFLCMHBSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)C1=CCCCO1 220222302 344431148 /nfs/dbraw/zinc/43/11/48/344431148.db2.gz JYMMCTYVXWHOSN-NQMVMOMDSA-N 0 0 168.236 1.698 10 0 ADAERN NC(=O)Nc1ccncc1Cl 220272516 344431558 /nfs/dbraw/zinc/43/15/58/344431558.db2.gz OODKVMKGMYMYIY-UHFFFAOYSA-N 0 0 171.587 1.226 10 0 ADAERN c1csc(CCn2ccnn2)c1 220313668 344431606 /nfs/dbraw/zinc/43/16/06/344431606.db2.gz LBNHPGNXRSWJMB-UHFFFAOYSA-N 0 0 179.248 1.582 10 0 ADAERN Cc1ccc(N2COCCOC2)cc1 220345329 344431930 /nfs/dbraw/zinc/43/19/30/344431930.db2.gz FHTQYHKEHYLFLA-UHFFFAOYSA-N 0 0 193.246 1.763 10 0 ADAERN CNC(=O)NC1(C(F)(F)F)CC1 220339685 344431986 /nfs/dbraw/zinc/43/19/86/344431986.db2.gz AHIIAJCOAUMVAT-UHFFFAOYSA-N 0 0 182.145 1.010 10 0 ADAERN CC(C)[C@H](C)NC(=O)C(F)F 220335643 344431995 /nfs/dbraw/zinc/43/19/95/344431995.db2.gz FHVPBWTXRVTCBC-YFKPBYRVSA-N 0 0 165.183 1.412 10 0 ADAERN COCC[C@@H]1COC(C)(C)O1 220371776 344432051 /nfs/dbraw/zinc/43/20/51/344432051.db2.gz FEDPSWHFBXHYCB-SSDOTTSWSA-N 0 0 160.213 1.174 10 0 ADAERN Nc1n[nH]c(-c2ccc(Cl)o2)n1 220356010 344432080 /nfs/dbraw/zinc/43/20/80/344432080.db2.gz LIMOJGYTIPVXRR-UHFFFAOYSA-N 0 0 184.586 1.300 10 0 ADAERN Cc1cccc(N2COCCOC2)c1 220345427 344432089 /nfs/dbraw/zinc/43/20/89/344432089.db2.gz JPXBEWVOPHFYSZ-UHFFFAOYSA-N 0 0 193.246 1.763 10 0 ADAERN CC(C)[C@@H](C)NC(=O)C(F)F 220335576 344432102 /nfs/dbraw/zinc/43/21/02/344432102.db2.gz FHVPBWTXRVTCBC-RXMQYKEDSA-N 0 0 165.183 1.412 10 0 ADAERN CC[C@@H](F)CCC(=O)OC 220353745 344432156 /nfs/dbraw/zinc/43/21/56/344432156.db2.gz SFWDXZYFDHSLES-ZCFIWIBFSA-N 0 0 148.177 1.688 10 0 ADAERN CCN(C)C(=O)c1cc(O)ccc1O 220404454 344432226 /nfs/dbraw/zinc/43/22/26/344432226.db2.gz ZZFGGOZMKMPRPI-UHFFFAOYSA-N 0 0 195.218 1.190 10 0 ADAERN CCc1nnc2ccc(F)cn12 220384118 344432289 /nfs/dbraw/zinc/43/22/89/344432289.db2.gz ILVJDMLTCCETLK-UHFFFAOYSA-N 0 0 165.171 1.431 10 0 ADAERN C[C@H](O)c1noc([C@@H]2CC[C@@H](C)O2)n1 220325412 344432302 /nfs/dbraw/zinc/43/23/02/344432302.db2.gz VTPZEKFMCOIOET-VQVTYTSYSA-N 0 0 198.222 1.363 10 0 ADAERN c1nc2c(o1)CCCN2 220326479 344432308 /nfs/dbraw/zinc/43/23/08/344432308.db2.gz FDZSBFRBNCCWAK-UHFFFAOYSA-N 0 0 124.143 1.033 10 0 ADAERN C[C@H](O)c1noc([C@H]2CC[C@@H](C)O2)n1 220325491 344432334 /nfs/dbraw/zinc/43/23/34/344432334.db2.gz VTPZEKFMCOIOET-DSYKOEDSSA-N 0 0 198.222 1.363 10 0 ADAERN O[C@@H]1C=C[C@H](c2ccccc2)OC1 220505112 344432752 /nfs/dbraw/zinc/43/27/52/344432752.db2.gz FDIAOCGHOBNZJH-GHMZBOCLSA-N 0 0 176.215 1.675 10 0 ADAERN Cc1csc(N[C@H](C)CC(N)=O)n1 220566163 344433031 /nfs/dbraw/zinc/43/30/31/344433031.db2.gz GSIFURDYMOPBAA-RXMQYKEDSA-N 0 0 199.279 1.127 10 0 ADAERN Cc1csc(N[C@@H](C)CC(N)=O)n1 220566096 344433129 /nfs/dbraw/zinc/43/31/29/344433129.db2.gz GSIFURDYMOPBAA-YFKPBYRVSA-N 0 0 199.279 1.127 10 0 ADAERN Cc1cncc(NC2COC2)c1 220525018 344433192 /nfs/dbraw/zinc/43/31/92/344433192.db2.gz FRZQBSUVTUHSRN-UHFFFAOYSA-N 0 0 164.208 1.201 10 0 ADAERN CCN1CCOc2c1cnnc2Cl 220566475 344433226 /nfs/dbraw/zinc/43/32/26/344433226.db2.gz YPTIUSFHOCBTOE-UHFFFAOYSA-N 0 0 199.641 1.349 10 0 ADAERN Cc1coc(NC(=O)c2ccco2)n1 220576471 344433346 /nfs/dbraw/zinc/43/33/46/344433346.db2.gz GLGBSGXKWYTVPV-UHFFFAOYSA-N 0 0 192.174 1.828 10 0 ADAERN CNC(=O)c1cc(F)cnc1Cl 220550998 344433440 /nfs/dbraw/zinc/43/34/40/344433440.db2.gz KGQQWMISRAMNCX-UHFFFAOYSA-N 0 0 188.589 1.234 10 0 ADAERN CON(C)C(=O)C1CC(C)C1 220544251 344433448 /nfs/dbraw/zinc/43/34/48/344433448.db2.gz VKSCQZGFMYJQFW-UHFFFAOYSA-N 0 0 157.213 1.052 10 0 ADAERN Cc1[nH]nc(C(C)C)c1CCO 220608356 344433558 /nfs/dbraw/zinc/43/35/58/344433558.db2.gz YYLWDXRQOBQWDM-UHFFFAOYSA-N 0 0 168.240 1.376 10 0 ADAERN CCn1c(C2CC2)nc(CO)c1C 220603215 344433589 /nfs/dbraw/zinc/43/35/89/344433589.db2.gz JRLIDVVGXNHKQU-UHFFFAOYSA-N 0 0 180.251 1.581 10 0 ADAERN O=C([O-])/C=C\C[NH+]1CCCCCCC1 220600313 344433619 /nfs/dbraw/zinc/43/36/19/344433619.db2.gz YADKRMYCAYFQIV-SREVYHEPSA-N 0 0 197.278 1.893 10 0 ADAERN C[C@@H]1CN(Cl)[C@H](C)CN1Cl 220638635 344433749 /nfs/dbraw/zinc/43/37/49/344433749.db2.gz IVRLPPGKJJZQJZ-PHDIDXHHSA-N 0 0 183.082 1.689 10 0 ADAERN Cc1nc(C2CC2)[nH]c1CO 220604486 344433766 /nfs/dbraw/zinc/43/37/66/344433766.db2.gz UGAFCCZPMICRJT-UHFFFAOYSA-N 0 0 152.197 1.088 10 0 ADAERN C[C@H]1CN(Cl)[C@H](C)CN1Cl 220638699 344433809 /nfs/dbraw/zinc/43/38/09/344433809.db2.gz IVRLPPGKJJZQJZ-OLQVQODUSA-N 0 0 183.082 1.689 10 0 ADAERN CSC1(C(C)=O)CC1 220621232 344433815 /nfs/dbraw/zinc/43/38/15/344433815.db2.gz QURJECBBGXXCIZ-UHFFFAOYSA-N 0 0 130.212 1.471 10 0 ADAERN CCO/C=C(\C#N)C(=O)C(C)C 220616219 344433905 /nfs/dbraw/zinc/43/39/05/344433905.db2.gz XXICPBYJFBAOPU-SOFGYWHQSA-N 0 0 167.208 1.655 10 0 ADAERN N#CNc1cccc(O)c1 220608543 344433950 /nfs/dbraw/zinc/43/39/50/344433950.db2.gz IROZDYBLBLZIIX-UHFFFAOYSA-N 0 0 134.138 1.285 10 0 ADAERN C[C@H]1SCC[C@H]1Nc1cnn(C)c1 220675762 344434190 /nfs/dbraw/zinc/43/41/90/344434190.db2.gz QYLDDNPUAGTTKB-VXNVDRBHSA-N 0 0 197.307 1.726 10 0 ADAERN COC(=O)[C@H]1CC(=O)C[C@@H](C)C1 220687559 344434228 /nfs/dbraw/zinc/43/42/28/344434228.db2.gz DKSHMDROPDHNSZ-NKWVEPMBSA-N 0 0 170.208 1.165 10 0 ADAERN Oc1ccc(NC2CC2)cc1 220691023 344434254 /nfs/dbraw/zinc/43/42/54/344434254.db2.gz GEDMVCDPUNZZRL-UHFFFAOYSA-N 0 0 149.193 1.967 10 0 ADAERN CC[C@H](O)C(C)(F)F 220660062 344434260 /nfs/dbraw/zinc/43/42/60/344434260.db2.gz OVRDUIBWCAZVJD-BYPYZUCNSA-N 0 0 124.130 1.413 10 0 ADAERN COC(=O)[C@@H]1CC(=O)C[C@@H](C)C1 220687425 344434268 /nfs/dbraw/zinc/43/42/68/344434268.db2.gz DKSHMDROPDHNSZ-BQBZGAKWSA-N 0 0 170.208 1.165 10 0 ADAERN CC[C@@H](O)C(C)(F)F 220660125 344434319 /nfs/dbraw/zinc/43/43/19/344434319.db2.gz OVRDUIBWCAZVJD-SCSAIBSYSA-N 0 0 124.130 1.413 10 0 ADAERN CCC1CN(C(=O)C(C)(C)C)C1 220655962 344434343 /nfs/dbraw/zinc/43/43/43/344434343.db2.gz CSONTRFUIFLYNH-UHFFFAOYSA-N 0 0 169.268 1.901 10 0 ADAERN C[C@@H]1SCC[C@@H]1Nc1cnn(C)c1 220675585 344434353 /nfs/dbraw/zinc/43/43/53/344434353.db2.gz QYLDDNPUAGTTKB-CBAPKCEASA-N 0 0 197.307 1.726 10 0 ADAERN COC(=O)[C@H]1CC(=O)C[C@H](C)C1 220687495 344434444 /nfs/dbraw/zinc/43/44/44/344434444.db2.gz DKSHMDROPDHNSZ-RNFRBKRXSA-N 0 0 170.208 1.165 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)[C@@H](C)C1 220717533 344434626 /nfs/dbraw/zinc/43/46/26/344434626.db2.gz TXTWGQUUOBHPFZ-WCABBAIRSA-N 0 0 199.294 1.875 10 0 ADAERN COc1cncc(C)c1C=O 220750654 344434697 /nfs/dbraw/zinc/43/46/97/344434697.db2.gz VDQIUDFBKZBQDW-UHFFFAOYSA-N 0 0 151.165 1.211 10 0 ADAERN COc1cc(C=O)c(C)cn1 220750736 344434756 /nfs/dbraw/zinc/43/47/56/344434756.db2.gz VRJKJEVVCJDPCT-UHFFFAOYSA-N 0 0 151.165 1.211 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@H](C)[C@@H](C)C1 220717636 344435045 /nfs/dbraw/zinc/43/50/45/344435045.db2.gz TXTWGQUUOBHPFZ-ATZCPNFKSA-N 0 0 199.294 1.875 10 0 ADAERN CCOC(=O)Cc1cccc(F)c1N 220782218 344435191 /nfs/dbraw/zinc/43/51/91/344435191.db2.gz NKSUUNNMJYWKPY-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN CCOC(=O)Cc1c(N)cccc1F 220797717 344435291 /nfs/dbraw/zinc/43/52/91/344435291.db2.gz IWUPPLSYCMWKOG-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN O=C1CCN(C2CCSCC2)C1 220770084 344435324 /nfs/dbraw/zinc/43/53/24/344435324.db2.gz UADGHZSMJBNBOE-UHFFFAOYSA-N 0 0 185.292 1.157 10 0 ADAERN O=C1CCN([C@H]2CCCSC2)C1 220769679 344435370 /nfs/dbraw/zinc/43/53/70/344435370.db2.gz XMQVBSXHYGYFHT-QMMMGPOBSA-N 0 0 185.292 1.157 10 0 ADAERN c1cc(N[C@@H]2CCCSC2)ncn1 220790016 344435392 /nfs/dbraw/zinc/43/53/92/344435392.db2.gz RDOFGRNYWSJEFR-MRVPVSSYSA-N 0 0 195.291 1.784 10 0 ADAERN c1cc(NC2CCSCC2)ncn1 220794683 344435414 /nfs/dbraw/zinc/43/54/14/344435414.db2.gz WACIKNBZIKBERE-UHFFFAOYSA-N 0 0 195.291 1.784 10 0 ADAERN CCOC(=O)Cc1cc(F)ccc1N 220798306 344435429 /nfs/dbraw/zinc/43/54/29/344435429.db2.gz LZAKYTLHEHSGHG-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN Oc1csc(NC2CC2)n1 220781053 344435484 /nfs/dbraw/zinc/43/54/84/344435484.db2.gz QQMPWWDHDZEJAK-UHFFFAOYSA-N 0 0 156.210 1.423 10 0 ADAERN O=C1CCN([C@@H]2CCCSC2)C1 220769624 344435494 /nfs/dbraw/zinc/43/54/94/344435494.db2.gz XMQVBSXHYGYFHT-MRVPVSSYSA-N 0 0 185.292 1.157 10 0 ADAERN c1cc(N[C@H]2CCCSC2)ncn1 220790071 344435501 /nfs/dbraw/zinc/43/55/01/344435501.db2.gz RDOFGRNYWSJEFR-QMMMGPOBSA-N 0 0 195.291 1.784 10 0 ADAERN CCO[C@H]1CCOC(=O)CC1 220820281 344435707 /nfs/dbraw/zinc/43/57/07/344435707.db2.gz JOXXSVZLOWHFSC-SSDOTTSWSA-N 0 0 158.197 1.119 10 0 ADAERN Cc1cc(C)cc(-n2cncn2)c1 220818649 344435883 /nfs/dbraw/zinc/43/58/83/344435883.db2.gz ZBNPJEPEJNZEPR-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CC[C@H](O)[C@H]1CCO[C@@H](C)C1 220831637 344435931 /nfs/dbraw/zinc/43/59/31/344435931.db2.gz MSMFRHGBOARSJA-CIUDSAMLSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1cc(Cl)cc([C@@H]([NH3+])C(=O)[O-])c1 220804151 344435943 /nfs/dbraw/zinc/43/59/43/344435943.db2.gz WIFAUYOHTRCICA-MRVPVSSYSA-N 0 0 199.637 1.733 10 0 ADAERN CCO[C@@H]1CCOC(=O)CC1 220820339 344435966 /nfs/dbraw/zinc/43/59/66/344435966.db2.gz JOXXSVZLOWHFSC-ZETCQYMHSA-N 0 0 158.197 1.119 10 0 ADAERN CC=CCNc1ncnc2nc[nH]c12 220868375 344436294 /nfs/dbraw/zinc/43/62/94/344436294.db2.gz WPFBULDTFZQCOG-NSCUHMNNSA-N 0 0 189.222 1.341 10 0 ADAERN COC(=O)c1nc(Cl)cs1 220860415 344436332 /nfs/dbraw/zinc/43/63/32/344436332.db2.gz MSXHESYPPVBJDF-UHFFFAOYSA-N 0 0 177.612 1.583 10 0 ADAERN Cc1ccc2c(c1)OC[C@@H]2CCO 220886286 344436335 /nfs/dbraw/zinc/43/63/35/344436335.db2.gz YOQBXYHVLZFIKW-VIFPVBQESA-N 0 0 178.231 1.853 10 0 ADAERN Cc1ccc2c(c1)OC[C@H]2CCO 220886344 344436372 /nfs/dbraw/zinc/43/63/72/344436372.db2.gz YOQBXYHVLZFIKW-SECBINFHSA-N 0 0 178.231 1.853 10 0 ADAERN COc1cc(N)cc(C=O)c1 220905905 344436392 /nfs/dbraw/zinc/43/63/92/344436392.db2.gz VIFCPLAQEQKKSS-UHFFFAOYSA-N 0 0 151.165 1.090 10 0 ADAERN COC1=CC(C)(CO)C=C(OC)C1 220881865 344436439 /nfs/dbraw/zinc/43/64/39/344436439.db2.gz PNMFDHVTKOBNSH-UHFFFAOYSA-N 0 0 184.235 1.449 10 0 ADAERN Cc1ccc(CO)c(C(F)(F)F)n1 220876133 344436448 /nfs/dbraw/zinc/43/64/48/344436448.db2.gz NXTRQEBBFHPQCL-UHFFFAOYSA-N 0 0 191.152 1.901 10 0 ADAERN CCCOCC(=O)N1CCCC1(C)C 220860986 344436466 /nfs/dbraw/zinc/43/64/66/344436466.db2.gz JZJSVKKQDKWVCD-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN CC(C)[C@@H]1CC[C@H]1O 220984365 344436769 /nfs/dbraw/zinc/43/67/69/344436769.db2.gz DRKAZICIBNCLBJ-NKWVEPMBSA-N 0 0 114.188 1.413 10 0 ADAERN CCC(C)(C)[C@H]1COC(=O)N1 220927626 344436862 /nfs/dbraw/zinc/43/68/62/344436862.db2.gz GZRBRDMYTBKOIC-ZCFIWIBFSA-N 0 0 157.213 1.531 10 0 ADAERN CC(C)[C@H]1CC[C@@H]1O 220984300 344437012 /nfs/dbraw/zinc/43/70/12/344437012.db2.gz DRKAZICIBNCLBJ-RQJHMYQMSA-N 0 0 114.188 1.413 10 0 ADAERN CC(C)[C@@H]1CC[C@@H]1O 220984235 344437050 /nfs/dbraw/zinc/43/70/50/344437050.db2.gz DRKAZICIBNCLBJ-BQBZGAKWSA-N 0 0 114.188 1.413 10 0 ADAERN COC(=O)c1cc(C)cc(OC)c1F 220942899 344437078 /nfs/dbraw/zinc/43/70/78/344437078.db2.gz YWCQHLVEVYIDKV-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN CC(C)[C@H]1CC[C@H]1O 220984425 344437103 /nfs/dbraw/zinc/43/71/03/344437103.db2.gz DRKAZICIBNCLBJ-RNFRBKRXSA-N 0 0 114.188 1.413 10 0 ADAERN OCc1cc2cc(O)ccc2o1 221019996 344437340 /nfs/dbraw/zinc/43/73/40/344437340.db2.gz HBMMFNDUMFKSGU-UHFFFAOYSA-N 0 0 164.160 1.631 10 0 ADAERN C[C@@H]1C(=O)NC(C)(C)C1(C)C 221029465 344437472 /nfs/dbraw/zinc/43/74/72/344437472.db2.gz CAQBTKHSSNEVEK-ZCFIWIBFSA-N 0 0 155.241 1.557 10 0 ADAERN O=C(Oc1cccc(F)c1)C(F)F 221033118 344437515 /nfs/dbraw/zinc/43/75/15/344437515.db2.gz CXJHZNWCUOBNJC-UHFFFAOYSA-N 0 0 190.120 1.996 10 0 ADAERN C[C@H]1C(=O)NC(C)(C)C1(C)C 221029527 344437563 /nfs/dbraw/zinc/43/75/63/344437563.db2.gz CAQBTKHSSNEVEK-LURJTMIESA-N 0 0 155.241 1.557 10 0 ADAERN CC(=O)c1cc(O)c(F)cc1N 221045751 344437634 /nfs/dbraw/zinc/43/76/34/344437634.db2.gz OAFLGJYQMFNDHK-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COC1CC(Nc2cnn(C)c2)C1 221066690 344437662 /nfs/dbraw/zinc/43/76/62/344437662.db2.gz RAOVMHBSJFSPJP-UHFFFAOYSA-N 0 0 181.239 1.009 10 0 ADAERN CCCCCc1nnc(C)nn1 221069887 344437666 /nfs/dbraw/zinc/43/76/66/344437666.db2.gz KTTUJRHEJYDHOL-UHFFFAOYSA-N 0 0 166.228 1.308 10 0 ADAERN COC(=O)Cc1c(O)cccc1OC 221154643 344438393 /nfs/dbraw/zinc/43/83/93/344438393.db2.gz FSNKGRLAGXYXQJ-UHFFFAOYSA-N 0 0 196.202 1.116 10 0 ADAERN Cc1cc2c(N)nc(N)nc2s1 221165729 344438415 /nfs/dbraw/zinc/43/84/15/344438415.db2.gz FWDOGMKPECLMJV-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN CNc1c(C)cccc1C(N)=S 221159868 344438597 /nfs/dbraw/zinc/43/85/97/344438597.db2.gz CYGZMCIBWIDIMS-UHFFFAOYSA-N 0 0 180.276 1.671 10 0 ADAERN F[C@@H]1CCC[C@H]1n1cccn1 221157336 344438699 /nfs/dbraw/zinc/43/86/99/344438699.db2.gz DOPCTOGAAQUXMP-HTQZYQBOSA-N 0 0 154.188 1.946 10 0 ADAERN COC(=O)Cc1cccc(F)c1O 221155364 344438736 /nfs/dbraw/zinc/43/87/36/344438736.db2.gz CXLXZFORZFAJTD-UHFFFAOYSA-N 0 0 184.166 1.247 10 0 ADAERN CCC[C@@H]1C(=O)CO[C@H]1C 221197646 344439519 /nfs/dbraw/zinc/43/95/19/344439519.db2.gz AFLILURZNCQERY-BQBZGAKWSA-N 0 0 142.198 1.391 10 0 ADAERN CCC[C@@H]1C(=O)CO[C@@H]1C 221197770 344439530 /nfs/dbraw/zinc/43/95/30/344439530.db2.gz AFLILURZNCQERY-RQJHMYQMSA-N 0 0 142.198 1.391 10 0 ADAERN CCC[C@H]1C(=O)CO[C@H]1C 221197579 344439536 /nfs/dbraw/zinc/43/95/36/344439536.db2.gz AFLILURZNCQERY-NKWVEPMBSA-N 0 0 142.198 1.391 10 0 ADAERN CCC[C@H]1C(=O)CO[C@@H]1C 221197713 344439615 /nfs/dbraw/zinc/43/96/15/344439615.db2.gz AFLILURZNCQERY-RNFRBKRXSA-N 0 0 142.198 1.391 10 0 ADAERN COc1cc(N(C)C)ccn1 221209299 344439716 /nfs/dbraw/zinc/43/97/16/344439716.db2.gz XCGHHBTXODFMAU-UHFFFAOYSA-N 0 0 152.197 1.156 10 0 ADAERN OCCC[C@@H](O)[C@@H]1C=CCCC1 221229048 344439933 /nfs/dbraw/zinc/43/99/33/344439933.db2.gz MXQYNZSONTXRMF-NXEZZACHSA-N 0 0 170.252 1.476 10 0 ADAERN OCCC[C@@H](O)[C@H]1C=CCCC1 221228986 344439951 /nfs/dbraw/zinc/43/99/51/344439951.db2.gz MXQYNZSONTXRMF-VHSXEESVSA-N 0 0 170.252 1.476 10 0 ADAERN OCCC[C@H](O)[C@H]1C=CCCC1 221229099 344440018 /nfs/dbraw/zinc/44/00/18/344440018.db2.gz MXQYNZSONTXRMF-UWVGGRQHSA-N 0 0 170.252 1.476 10 0 ADAERN COC1CC(Nc2cccnc2)C1 221230443 344440173 /nfs/dbraw/zinc/44/01/73/344440173.db2.gz DSIZVXHXENDKMH-UHFFFAOYSA-N 0 0 178.235 1.671 10 0 ADAERN OCCC[C@H](O)[C@@H]1C=CCCC1 221229146 344440201 /nfs/dbraw/zinc/44/02/01/344440201.db2.gz MXQYNZSONTXRMF-ZJUUUORDSA-N 0 0 170.252 1.476 10 0 ADAERN CCCC(=O)N1CC[C@H](C)[C@@H](OC)C1 221263171 344440492 /nfs/dbraw/zinc/44/04/92/344440492.db2.gz WMCTXRIWLJBWBB-UWVGGRQHSA-N 0 0 199.294 1.670 10 0 ADAERN Cc1noc(NCC2CCCC2)n1 221235237 344440514 /nfs/dbraw/zinc/44/05/14/344440514.db2.gz DSMJGHLWLCOOFY-UHFFFAOYSA-N 0 0 181.239 1.980 10 0 ADAERN CCCC(=O)N1CC[C@@H](C)[C@H](OC)C1 221263236 344440549 /nfs/dbraw/zinc/44/05/49/344440549.db2.gz WMCTXRIWLJBWBB-NXEZZACHSA-N 0 0 199.294 1.670 10 0 ADAERN CCC[C@@H](C)NC(=O)CSC 221248604 344440556 /nfs/dbraw/zinc/44/05/56/344440556.db2.gz FDVDGZQJFOUCSX-SSDOTTSWSA-N 0 0 175.297 1.654 10 0 ADAERN COc1ccc(C=O)c(O)c1F 221234378 344440585 /nfs/dbraw/zinc/44/05/85/344440585.db2.gz YVIHBKCATSECDF-UHFFFAOYSA-N 0 0 170.139 1.352 10 0 ADAERN COC1CC(Nc2ccn(C)n2)C1 221237458 344440590 /nfs/dbraw/zinc/44/05/90/344440590.db2.gz OXPOKGVHANZPAE-UHFFFAOYSA-N 0 0 181.239 1.009 10 0 ADAERN O=C(CO)c1cccc(F)c1F 221243681 344440608 /nfs/dbraw/zinc/44/06/08/344440608.db2.gz ISYPVMQQFUTLGG-UHFFFAOYSA-N 0 0 172.130 1.140 10 0 ADAERN COC(=O)c1c(O)cncc1Cl 221238089 344440611 /nfs/dbraw/zinc/44/06/11/344440611.db2.gz TZHCNJPOHWZMRM-UHFFFAOYSA-N 0 0 187.582 1.227 10 0 ADAERN Cn1cncc1-c1ccccc1O 221261855 344440620 /nfs/dbraw/zinc/44/06/20/344440620.db2.gz KCESPZLZJPUOFA-UHFFFAOYSA-N 0 0 174.203 1.793 10 0 ADAERN CCCC(=O)N1CC[C@H](C)[C@H](OC)C1 221263286 344440633 /nfs/dbraw/zinc/44/06/33/344440633.db2.gz WMCTXRIWLJBWBB-VHSXEESVSA-N 0 0 199.294 1.670 10 0 ADAERN Cc1noc(NC2CC=CC2)n1 221251684 344440686 /nfs/dbraw/zinc/44/06/86/344440686.db2.gz HLDJMDCOQYUBCJ-UHFFFAOYSA-N 0 0 165.196 1.509 10 0 ADAERN CCC[C@H](C)NC(=O)CSC 221248662 344440736 /nfs/dbraw/zinc/44/07/36/344440736.db2.gz FDVDGZQJFOUCSX-ZETCQYMHSA-N 0 0 175.297 1.654 10 0 ADAERN Cc1cc([C@H]2CC(=O)NN2)c(C)s1 221270978 344440984 /nfs/dbraw/zinc/44/09/84/344440984.db2.gz RLEMVFUFHASMBJ-MRVPVSSYSA-N 0 0 196.275 1.431 10 0 ADAERN CCC(=O)N1CC[C@H](C)[C@@H](OC)C1 221271667 344441035 /nfs/dbraw/zinc/44/10/35/344441035.db2.gz BTGPIJSFUGPIFO-IUCAKERBSA-N 0 0 185.267 1.280 10 0 ADAERN C/C=C/C(=O)N1CC[C@H](C)[C@@H](OC)C1 221271381 344441063 /nfs/dbraw/zinc/44/10/63/344441063.db2.gz AWEJVTXAZLDFHV-AWAZDUCLSA-N 0 0 197.278 1.446 10 0 ADAERN CCC(=O)N1CC[C@H](C)[C@H](OC)C1 221271783 344441126 /nfs/dbraw/zinc/44/11/26/344441126.db2.gz BTGPIJSFUGPIFO-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN CC(C)(C)OC(=O)n1cccc1N 221268843 344441205 /nfs/dbraw/zinc/44/12/05/344441205.db2.gz AIZNTPQPENLNER-UHFFFAOYSA-N 0 0 182.223 1.854 10 0 ADAERN Cc1cc([C@@H]2CC(=O)NN2)c(C)s1 221270920 344441212 /nfs/dbraw/zinc/44/12/12/344441212.db2.gz RLEMVFUFHASMBJ-QMMMGPOBSA-N 0 0 196.275 1.431 10 0 ADAERN CCC(=O)N1CC[C@@H](C)[C@@H](OC)C1 221271621 344441226 /nfs/dbraw/zinc/44/12/26/344441226.db2.gz BTGPIJSFUGPIFO-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN C[C@H]1O[C@@H]1C(=O)OCc1ccccc1 221273264 344441247 /nfs/dbraw/zinc/44/12/47/344441247.db2.gz UHIKDVRJDKZQQU-SCZZXKLOSA-N 0 0 192.214 1.517 10 0 ADAERN C/C=C/C(=O)N1CC[C@H](C)[C@H](OC)C1 221271503 344441315 /nfs/dbraw/zinc/44/13/15/344441315.db2.gz AWEJVTXAZLDFHV-OCIBVNFRSA-N 0 0 197.278 1.446 10 0 ADAERN O=Cc1cnn([C@@H]2CCSC2)c1 221316481 344441528 /nfs/dbraw/zinc/44/15/28/344441528.db2.gz PHYXYADTCQWRTP-MRVPVSSYSA-N 0 0 182.248 1.374 10 0 ADAERN Cn1nc(C(F)(F)F)c2c1CCC2 221306820 344441677 /nfs/dbraw/zinc/44/16/77/344441677.db2.gz POZKXHFTVFBMLW-UHFFFAOYSA-N 0 0 190.168 1.928 10 0 ADAERN COC(=O)c1noc(C2CC2)c1C 221296661 344441740 /nfs/dbraw/zinc/44/17/40/344441740.db2.gz WBTOBOHTKCLTPS-UHFFFAOYSA-N 0 0 181.191 1.647 10 0 ADAERN O=Cc1cnn([C@H]2CCSC2)c1 221316539 344441867 /nfs/dbraw/zinc/44/18/67/344441867.db2.gz PHYXYADTCQWRTP-QMMMGPOBSA-N 0 0 182.248 1.374 10 0 ADAERN OCCN(CC1CC1)CC(F)(F)F 221355925 344441953 /nfs/dbraw/zinc/44/19/53/344441953.db2.gz YPWCETZSNHBYCF-UHFFFAOYSA-N 0 0 197.200 1.253 10 0 ADAERN Cn1cncc1-c1ccccc1C=O 221361743 344442119 /nfs/dbraw/zinc/44/21/19/344442119.db2.gz FMWAXXDQUREPBW-UHFFFAOYSA-N 0 0 186.214 1.900 10 0 ADAERN O=C1CS[C@@H]2CCC[C@H]2O1 221329521 344442207 /nfs/dbraw/zinc/44/22/07/344442207.db2.gz RXVHULGKAVPROU-PHDIDXHHSA-N 0 0 158.222 1.198 10 0 ADAERN N#C[C@@H]1CCC(=O)[C@H]1Br 223929745 344464140 /nfs/dbraw/zinc/46/41/40/344464140.db2.gz LPRVSQFMIKYHKY-NJGYIYPDSA-N 0 0 188.024 1.253 10 0 ADAERN Cc1nc(SCCO)oc1C 221415629 344442607 /nfs/dbraw/zinc/44/26/07/344442607.db2.gz DHTWZDAOYUTEFI-UHFFFAOYSA-N 0 0 173.237 1.376 10 0 ADAERN CN1CCC[C@H]1C(F)F 221420869 344442723 /nfs/dbraw/zinc/44/27/23/344442723.db2.gz HTKLYOPKOGGQNQ-YFKPBYRVSA-N 0 0 135.157 1.346 10 0 ADAERN COC(=O)Nc1ccccc1N(C)C 221395071 344442866 /nfs/dbraw/zinc/44/28/66/344442866.db2.gz FVQAWRSMQUKQDX-UHFFFAOYSA-N 0 0 194.234 1.931 10 0 ADAERN CCCOCC(=O)N(C)CC(F)F 221459232 344443129 /nfs/dbraw/zinc/44/31/29/344443129.db2.gz HWOUCPSYVAAGOW-UHFFFAOYSA-N 0 0 195.209 1.137 10 0 ADAERN Cc1ccc(CO)c(F)c1C 221446985 344443288 /nfs/dbraw/zinc/44/32/88/344443288.db2.gz JYCTXKKDUKSDRI-UHFFFAOYSA-N 0 0 154.184 1.935 10 0 ADAERN CC[C@H](C)[C@H]1OCC[C@@H]1CO 221447051 344443358 /nfs/dbraw/zinc/44/33/58/344443358.db2.gz WHBNZLYQEHKFTB-DJLDLDEBSA-N 0 0 158.241 1.430 10 0 ADAERN O=C1CCOc2cccc(F)c2N1 221449004 344443415 /nfs/dbraw/zinc/44/34/15/344443415.db2.gz ISOVVJSKAVVEJS-UHFFFAOYSA-N 0 0 181.166 1.547 10 0 ADAERN CC[C@H](C)[C@@H]1OCC[C@@H]1CO 221446949 344443472 /nfs/dbraw/zinc/44/34/72/344443472.db2.gz WHBNZLYQEHKFTB-YIZRAAEISA-N 0 0 158.241 1.430 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H]([NH3+])c1nccn1C 221456433 344443488 /nfs/dbraw/zinc/44/34/88/344443488.db2.gz QSENYYRIWCLWMX-BWZBUEFSSA-N 0 0 165.240 1.076 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1nccn1C 221456330 344443545 /nfs/dbraw/zinc/44/35/45/344443545.db2.gz QSENYYRIWCLWMX-GJMOJQLCSA-N 0 0 165.240 1.076 10 0 ADAERN CCCOCC(=O)N(CCC)C1CC1 221460377 344443943 /nfs/dbraw/zinc/44/39/43/344443943.db2.gz DZIVGHIFLFJLMS-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN CCn1c(C=O)cc2cccnc21 221534231 344444533 /nfs/dbraw/zinc/44/45/33/344444533.db2.gz QAGMZLINFNJZRY-UHFFFAOYSA-N 0 0 174.203 1.869 10 0 ADAERN CCNc1ccc(N)c(N)c1 221693538 344445029 /nfs/dbraw/zinc/44/50/29/344445029.db2.gz FHNIRSPCJQNAQK-UHFFFAOYSA-N 0 0 151.213 1.283 10 0 ADAERN CC[C@@H]1CN=C(OC)CCO1 221766111 344445371 /nfs/dbraw/zinc/44/53/71/344445371.db2.gz MOWIQSXQTRAKGD-SSDOTTSWSA-N 0 0 157.213 1.230 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC(=O)[O-])C1 221768525 344445570 /nfs/dbraw/zinc/44/55/70/344445570.db2.gz CWBLERJZDHALFF-HLTSFMKQSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)[O-] 221768644 344445621 /nfs/dbraw/zinc/44/56/21/344445621.db2.gz CWBLERJZDHALFF-VGMNWLOBSA-N 0 0 185.267 1.485 10 0 ADAERN CSc1ccc(NC2CC2)nn1 221782562 344446007 /nfs/dbraw/zinc/44/60/07/344446007.db2.gz IYRKAJZWFXXGBQ-UHFFFAOYSA-N 0 0 181.264 1.773 10 0 ADAERN COC1=NC[C@@H](C(F)F)OCC1 221785549 344446027 /nfs/dbraw/zinc/44/60/27/344446027.db2.gz ABRMZGVHYBVXPT-YFKPBYRVSA-N 0 0 179.166 1.085 10 0 ADAERN CCNc1ccc(SC)nn1 221784130 344446040 /nfs/dbraw/zinc/44/60/40/344446040.db2.gz FSLULMKUVJLYBI-UHFFFAOYSA-N 0 0 169.253 1.630 10 0 ADAERN CC(C)=CC(=O)N1CC[C@H](C)[C@H](O)C1 221829128 344446496 /nfs/dbraw/zinc/44/64/96/344446496.db2.gz DOONEVUAQTUNDU-VHSXEESVSA-N 0 0 197.278 1.182 10 0 ADAERN Cc1cccc2c(N)nc(N)nc12 221857739 344446573 /nfs/dbraw/zinc/44/65/73/344446573.db2.gz IVKPJINMUHGKAP-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN O=C1CC[C@@H](C2CCCC2)N1 221845682 344446710 /nfs/dbraw/zinc/44/67/10/344446710.db2.gz TVNNQZPPYBHCEV-QMMMGPOBSA-N 0 0 153.225 1.455 10 0 ADAERN CC(C)=CC(=O)N1CC[C@@H](C)[C@H](O)C1 221829075 344446810 /nfs/dbraw/zinc/44/68/10/344446810.db2.gz DOONEVUAQTUNDU-NXEZZACHSA-N 0 0 197.278 1.182 10 0 ADAERN CC(C)=CC(=O)N1CC[C@H](C)[C@@H](O)C1 221829017 344446826 /nfs/dbraw/zinc/44/68/26/344446826.db2.gz DOONEVUAQTUNDU-UWVGGRQHSA-N 0 0 197.278 1.182 10 0 ADAERN CNc1ccc2cccnc2n1 221870362 344446836 /nfs/dbraw/zinc/44/68/36/344446836.db2.gz FLTQDYJLHUQJJB-UHFFFAOYSA-N 0 0 159.192 1.672 10 0 ADAERN CC(N)=CC(=O)OCC1CCCCC1 221834725 344446857 /nfs/dbraw/zinc/44/68/57/344446857.db2.gz LDNHLLRLUYKUCS-CLFYSBASSA-N 0 0 197.278 1.972 10 0 ADAERN O=C1OCCN1Cc1ccco1 221902167 344447091 /nfs/dbraw/zinc/44/70/91/344447091.db2.gz JXLLPVOGJLGQRE-UHFFFAOYSA-N 0 0 167.164 1.232 10 0 ADAERN CNc1cc(C)cc(C(=O)N(C)C)c1 221919765 344447116 /nfs/dbraw/zinc/44/71/16/344447116.db2.gz VMAYAFKZOQHEIJ-UHFFFAOYSA-N 0 0 192.262 1.739 10 0 ADAERN C[C@@H]1C(=O)CC[N@@H+]([C@H]2C[C@H]2C)[C@H]1C 221936522 344447168 /nfs/dbraw/zinc/44/71/68/344447168.db2.gz ZUWBEHDZEXJTNH-KATARQTJSA-N 0 0 181.279 1.694 10 0 ADAERN C[C@@H](O)c1ccc(NC=O)cc1 221913147 344447285 /nfs/dbraw/zinc/44/72/85/344447285.db2.gz FGALZMHLEBSOAW-SSDOTTSWSA-N 0 0 165.192 1.308 10 0 ADAERN C[C@H](O)c1ccc(NC=O)cc1 221913094 344447326 /nfs/dbraw/zinc/44/73/26/344447326.db2.gz FGALZMHLEBSOAW-ZETCQYMHSA-N 0 0 165.192 1.308 10 0 ADAERN Cn1nccc1N1Cc2ccccc2C1 221937455 344447403 /nfs/dbraw/zinc/44/74/03/344447403.db2.gz OBYZRZJKBJTZFK-UHFFFAOYSA-N 0 0 199.257 1.940 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1nccnc1N 221969032 344447575 /nfs/dbraw/zinc/44/75/75/344447575.db2.gz QFNZTDMOSOVWCK-SFYZADRCSA-N 0 0 192.266 1.659 10 0 ADAERN O=C1Cc2cccc3ccnc1c23 221977829 344447590 /nfs/dbraw/zinc/44/75/90/344447590.db2.gz BWSGKNPNAIVXQW-UHFFFAOYSA-N 0 0 169.183 1.974 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 222006356 344447712 /nfs/dbraw/zinc/44/77/12/344447712.db2.gz UKAODQKOCBVBOM-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1nccnc1N 221969139 344447769 /nfs/dbraw/zinc/44/77/69/344447769.db2.gz QFNZTDMOSOVWCK-HTQZYQBOSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCC[C@@H](C)C1 222006418 344447792 /nfs/dbraw/zinc/44/77/92/344447792.db2.gz UKAODQKOCBVBOM-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CCC[N@@H+]([C@H](C)[C@@H](C)C(=O)[O-])C1 222006298 344447887 /nfs/dbraw/zinc/44/78/87/344447887.db2.gz UKAODQKOCBVBOM-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1nccnc1N 221969189 344447902 /nfs/dbraw/zinc/44/79/02/344447902.db2.gz QFNZTDMOSOVWCK-JGVFFNPUSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1nccnc1N 221969086 344447905 /nfs/dbraw/zinc/44/79/05/344447905.db2.gz QFNZTDMOSOVWCK-YUMQZZPRSA-N 0 0 192.266 1.659 10 0 ADAERN Cc1nc(OC(F)F)ccc1N 221970679 344447999 /nfs/dbraw/zinc/44/79/99/344447999.db2.gz ZUNVLHNFOMNPQH-UHFFFAOYSA-N 0 0 174.150 1.574 10 0 ADAERN COc1nc(F)ccc1C 222087909 344448224 /nfs/dbraw/zinc/44/82/24/344448224.db2.gz GJWGUYFYHLXSPG-UHFFFAOYSA-N 0 0 141.145 1.538 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CC[C@@H](C)C1 222011447 344448274 /nfs/dbraw/zinc/44/82/74/344448274.db2.gz WSACIVFNPFDTIU-VGMNWLOBSA-N 0 0 185.267 1.437 10 0 ADAERN CCNC(=O)[C@H]1CCC[C@@H]1C 222051847 344448309 /nfs/dbraw/zinc/44/83/09/344448309.db2.gz VAHIGRLRSWRDFC-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@@H+]1CC[C@@H](C)C1 222011375 344448375 /nfs/dbraw/zinc/44/83/75/344448375.db2.gz WSACIVFNPFDTIU-HRDYMLBCSA-N 0 0 185.267 1.437 10 0 ADAERN CCNC(=O)[C@@H]1CCC[C@@H]1C 222051801 344448387 /nfs/dbraw/zinc/44/83/87/344448387.db2.gz VAHIGRLRSWRDFC-JGVFFNPUSA-N 0 0 155.241 1.559 10 0 ADAERN FCCOc1ccccn1 222040760 344448392 /nfs/dbraw/zinc/44/83/92/344448392.db2.gz KSSZPTYZLMBNBK-UHFFFAOYSA-N 0 0 141.145 1.430 10 0 ADAERN Cc1ccc(C(=O)SN)cc1 222019980 344448485 /nfs/dbraw/zinc/44/84/85/344448485.db2.gz UFYYZRHVXSGHNC-UHFFFAOYSA-N 0 0 167.233 1.742 10 0 ADAERN CSc1c(Cl)cc[nH]c1=O 222041179 344448492 /nfs/dbraw/zinc/44/84/92/344448492.db2.gz ZRFROWJORNKHAK-UHFFFAOYSA-N 0 0 175.640 1.750 10 0 ADAERN Cc1[nH]cnc1-c1ccccc1N 222023048 344448521 /nfs/dbraw/zinc/44/85/21/344448521.db2.gz NERXPASIDXODBJ-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)C(=O)[O-])C1 222011328 344448537 /nfs/dbraw/zinc/44/85/37/344448537.db2.gz WSACIVFNPFDTIU-IWSPIJDZSA-N 0 0 185.267 1.437 10 0 ADAERN COc1cc(-c2cnco2)ccc1N 222076544 344448543 /nfs/dbraw/zinc/44/85/43/344448543.db2.gz XAJVTPGVGZRHEO-UHFFFAOYSA-N 0 0 190.202 1.932 10 0 ADAERN COCC[C@H]1COC(C)(C)O1 222043243 344448562 /nfs/dbraw/zinc/44/85/62/344448562.db2.gz FEDPSWHFBXHYCB-ZETCQYMHSA-N 0 0 160.213 1.174 10 0 ADAERN CCNC(=O)c1cccnc1OCC 222025299 344448564 /nfs/dbraw/zinc/44/85/64/344448564.db2.gz DNGIWNUPWUEULZ-UHFFFAOYSA-N 0 0 194.234 1.230 10 0 ADAERN CCC(CC)=NNc1cc(=O)[nH]cn1 222073464 344448584 /nfs/dbraw/zinc/44/85/84/344448584.db2.gz BYCZCXSQOQSQPC-UHFFFAOYSA-N 0 0 194.238 1.358 10 0 ADAERN CN(C)NCc1ncc(Cl)s1 223049712 344456268 /nfs/dbraw/zinc/45/62/68/344456268.db2.gz XMISNVJCPJOEJE-UHFFFAOYSA-N 0 0 191.687 1.363 10 0 ADAERN CC(C)[C@H](C)C(=O)[C@H](C)O 222097330 344448969 /nfs/dbraw/zinc/44/89/69/344448969.db2.gz JSVLDYWDKGTWJW-BQBZGAKWSA-N 0 0 144.214 1.228 10 0 ADAERN O=c1[nH]cc(OC(F)(F)F)cc1F 222103608 344449023 /nfs/dbraw/zinc/44/90/23/344449023.db2.gz IXNNHXFQXFNAEK-UHFFFAOYSA-N 0 0 197.087 1.413 10 0 ADAERN CC(C)[C@@H](C)C(=O)[C@H](C)O 222097287 344449047 /nfs/dbraw/zinc/44/90/47/344449047.db2.gz JSVLDYWDKGTWJW-RQJHMYQMSA-N 0 0 144.214 1.228 10 0 ADAERN CC(C)[C@@H](C)C(=O)[C@@H](C)O 222097167 344449173 /nfs/dbraw/zinc/44/91/73/344449173.db2.gz JSVLDYWDKGTWJW-RNFRBKRXSA-N 0 0 144.214 1.228 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12NC(=O)NC2=O 222099606 344449248 /nfs/dbraw/zinc/44/92/48/344449248.db2.gz CSEKMFUTKYICNO-MATHAZKKSA-N 0 0 196.250 1.021 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@]2(C1)NC(=O)NC2=O 222099489 344449270 /nfs/dbraw/zinc/44/92/70/344449270.db2.gz CSEKMFUTKYICNO-BRDIYROLSA-N 0 0 196.250 1.021 10 0 ADAERN CC(C)[C@H](C)C(=O)[C@@H](C)O 222097228 344449297 /nfs/dbraw/zinc/44/92/97/344449297.db2.gz JSVLDYWDKGTWJW-NKWVEPMBSA-N 0 0 144.214 1.228 10 0 ADAERN CCOCc1ccc(O)c(N)c1 222149315 344449553 /nfs/dbraw/zinc/44/95/53/344449553.db2.gz DJIMJWZIVPIEKG-UHFFFAOYSA-N 0 0 167.208 1.511 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@@H](OC)C1 222154451 344449603 /nfs/dbraw/zinc/44/96/03/344449603.db2.gz BTTPIFNKUNMQDM-HLTSFMKQSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@@H](OC)C1 222154563 344449666 /nfs/dbraw/zinc/44/96/66/344449666.db2.gz BTTPIFNKUNMQDM-VGMNWLOBSA-N 0 0 158.241 1.572 10 0 ADAERN CCc1c(O)ccc(C=O)c1O 222146473 344449785 /nfs/dbraw/zinc/44/97/85/344449785.db2.gz ZHTYFABTWZRWSU-UHFFFAOYSA-N 0 0 166.176 1.473 10 0 ADAERN c1ncc(-c2ccc3nccn3c2)cn1 222184002 344449945 /nfs/dbraw/zinc/44/99/45/344449945.db2.gz BNUDUCDNTQMKBS-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H](NN)C1 222221882 344450062 /nfs/dbraw/zinc/45/00/62/344450062.db2.gz BHJOSHCIUPTQQN-PRJMDXOYSA-N 0 0 142.246 1.274 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])C[C@@H](C)CC[C@@H]1C 222222621 344450072 /nfs/dbraw/zinc/45/00/72/344450072.db2.gz GFVAQIZDVWWFIE-OYNCUSHFSA-N 0 0 185.267 1.485 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC[C@H](C)C[C@@H]1C 222222927 344450081 /nfs/dbraw/zinc/45/00/81/344450081.db2.gz HNLFWJWBNVIPJV-OYNCUSHFSA-N 0 0 185.267 1.485 10 0 ADAERN CC(=O)CC(F)(F)C(F)F 222213659 344450110 /nfs/dbraw/zinc/45/01/10/344450110.db2.gz YEFDYCNSWUDBID-UHFFFAOYSA-N 0 0 158.094 1.866 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1NN 222222211 344450116 /nfs/dbraw/zinc/45/01/16/344450116.db2.gz LMFLGAWIYDUVOB-CSMHCCOUSA-N 0 0 142.246 1.274 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@]1([NH3+])C(=O)[O-] 222222469 344450138 /nfs/dbraw/zinc/45/01/38/344450138.db2.gz SWWHJYPSZMJOJT-BKPPORCPSA-N 0 0 171.240 1.225 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC[C@@H](C)[C@@H]1C 222223056 344450151 /nfs/dbraw/zinc/45/01/51/344450151.db2.gz FWGRAWOEWSDJPY-KHQFGBGNSA-N 0 0 185.267 1.485 10 0 ADAERN CN[C@]1(C(=O)OC)CC[C@@H](C)C[C@@H]1C 222225348 344450158 /nfs/dbraw/zinc/45/01/58/344450158.db2.gz IFFUNRCVPVVATN-WCABBAIRSA-N 0 0 199.294 1.574 10 0 ADAERN CN[C@]1(C(=O)OC)CCC[C@H](C)[C@@H]1C 222225688 344450182 /nfs/dbraw/zinc/45/01/82/344450182.db2.gz DVGPGODGYQGSHS-ATZCPNFKSA-N 0 0 199.294 1.574 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)[C@@H]1C 222223157 344450191 /nfs/dbraw/zinc/45/01/91/344450191.db2.gz FWGRAWOEWSDJPY-OYNCUSHFSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@]([NH3+])(C(=O)[O-])C1 222222351 344450195 /nfs/dbraw/zinc/45/01/95/344450195.db2.gz SWWHJYPSZMJOJT-ZXFLCMHBSA-N 0 0 171.240 1.225 10 0 ADAERN CN[C@]1(C(=O)OC)CCC[C@@H](C)[C@@H]1C 222225574 344450206 /nfs/dbraw/zinc/45/02/06/344450206.db2.gz DVGPGODGYQGSHS-WCABBAIRSA-N 0 0 199.294 1.574 10 0 ADAERN CN[C@]1(C(=O)OC)CC[C@H](C)C[C@@H]1C 222225451 344450302 /nfs/dbraw/zinc/45/03/02/344450302.db2.gz IFFUNRCVPVVATN-ATZCPNFKSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1NN 222221989 344450319 /nfs/dbraw/zinc/45/03/19/344450319.db2.gz BHJOSHCIUPTQQN-CSMHCCOUSA-N 0 0 142.246 1.274 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@H]1NN 222222115 344450327 /nfs/dbraw/zinc/45/03/27/344450327.db2.gz LMFLGAWIYDUVOB-GJMOJQLCSA-N 0 0 142.246 1.274 10 0 ADAERN CCCOCC(=O)N[C@@H](C)C(C)C 222219306 344450404 /nfs/dbraw/zinc/45/04/04/344450404.db2.gz DNSLNPMKUCHKQC-VIFPVBQESA-N 0 0 187.283 1.574 10 0 ADAERN CCCOCC(=O)N(C)C1CCCC1 222223731 344450419 /nfs/dbraw/zinc/45/04/19/344450419.db2.gz AYNGQBYWDSVUMQ-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN CCCOCC(=O)N[C@H](C)C(C)C 222219359 344450443 /nfs/dbraw/zinc/45/04/43/344450443.db2.gz DNSLNPMKUCHKQC-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])C[C@H](C)CC[C@@H]1C 222222681 344450453 /nfs/dbraw/zinc/45/04/53/344450453.db2.gz GFVAQIZDVWWFIE-KHQFGBGNSA-N 0 0 185.267 1.485 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)C[C@@H]1C 222222814 344450462 /nfs/dbraw/zinc/45/04/62/344450462.db2.gz HNLFWJWBNVIPJV-KHQFGBGNSA-N 0 0 185.267 1.485 10 0 ADAERN OCC/C=C/c1ccncc1 222213390 344450463 /nfs/dbraw/zinc/45/04/63/344450463.db2.gz NLLNCFTVYFRQSZ-HNQUOIGGSA-N 0 0 149.193 1.477 10 0 ADAERN CCCOCC(=O)N(C)C1CC1 222243717 344450648 /nfs/dbraw/zinc/45/06/48/344450648.db2.gz IFIWNRIJQZHYOE-UHFFFAOYSA-N 0 0 171.240 1.034 10 0 ADAERN CCCOCC(=O)N(C)[C@@H](C)CC 222230491 344450780 /nfs/dbraw/zinc/45/07/80/344450780.db2.gz BEEQQFYSDXEPFF-VIFPVBQESA-N 0 0 187.283 1.670 10 0 ADAERN CCCOCC(=O)N(C)[C@H](C)CC 222230555 344450833 /nfs/dbraw/zinc/45/08/33/344450833.db2.gz BEEQQFYSDXEPFF-SECBINFHSA-N 0 0 187.283 1.670 10 0 ADAERN CCOc1c(O)ccc(C=O)c1N 222334612 344451022 /nfs/dbraw/zinc/45/10/22/344451022.db2.gz HGLFHWPOXOIDND-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN Cn1c(Br)cnc1C#N 223660738 344461492 /nfs/dbraw/zinc/46/14/92/344461492.db2.gz CQYPDTVYUUECDD-UHFFFAOYSA-N 0 0 186.012 1.054 10 0 ADAERN N#CCCCNC1(C#N)CCCC1 222289569 344451172 /nfs/dbraw/zinc/45/11/72/344451172.db2.gz TUMFCPPCMXUTRV-UHFFFAOYSA-N 0 0 177.251 1.716 10 0 ADAERN O=C1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 222363950 344451434 /nfs/dbraw/zinc/45/14/34/344451434.db2.gz PAVJGYWYEOGARA-AEJSXWLSSA-N 0 0 182.263 1.907 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]1(C(=O)[O-])[NH+](C)C 222368558 344451453 /nfs/dbraw/zinc/45/14/53/344451453.db2.gz LMFOTFMYGVDNBX-YWVKMMECSA-N 0 0 199.294 1.828 10 0 ADAERN O=C1CCC[C@@H]1[C@H]1CCC[C@@H]1O 222363875 344451463 /nfs/dbraw/zinc/45/14/63/344451463.db2.gz FIVBLNYFCSZZTK-HLTSFMKQSA-N 0 0 168.236 1.517 10 0 ADAERN CCc1ccnc(C(=O)NC)c1 222341297 344451495 /nfs/dbraw/zinc/45/14/95/344451495.db2.gz HRRFUSCPLKIYHJ-UHFFFAOYSA-N 0 0 164.208 1.004 10 0 ADAERN Cc1noc([C@H]2CCCN2C)n1 222353275 344451522 /nfs/dbraw/zinc/45/15/22/344451522.db2.gz QVULFALTHTYWEL-SSDOTTSWSA-N 0 0 167.212 1.145 10 0 ADAERN C[C@H](O)C[C@H]1C[C@@H](C)CCC1=O 222366364 344451555 /nfs/dbraw/zinc/45/15/55/344451555.db2.gz UAASWIQJFDGRSC-XHNCKOQMSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]1(C(=O)[O-])[NH+](C)C 222368446 344451561 /nfs/dbraw/zinc/45/15/61/344451561.db2.gz LMFOTFMYGVDNBX-WCABBAIRSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1noc([C@@H]2CCCN2C)n1 222353226 344451573 /nfs/dbraw/zinc/45/15/73/344451573.db2.gz QVULFALTHTYWEL-ZETCQYMHSA-N 0 0 167.212 1.145 10 0 ADAERN O=C1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 222363823 344451588 /nfs/dbraw/zinc/45/15/88/344451588.db2.gz FIVBLNYFCSZZTK-YIZRAAEISA-N 0 0 168.236 1.517 10 0 ADAERN C[C@H](O)C[C@@H]1C[C@@H](C)CCC1=O 222366300 344451590 /nfs/dbraw/zinc/45/15/90/344451590.db2.gz UAASWIQJFDGRSC-CIUDSAMLSA-N 0 0 170.252 1.763 10 0 ADAERN O=C1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 222363999 344451608 /nfs/dbraw/zinc/45/16/08/344451608.db2.gz PAVJGYWYEOGARA-BBBLOLIVSA-N 0 0 182.263 1.907 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@@H](CC(C)(C)O)C1 222410530 344451816 /nfs/dbraw/zinc/45/18/16/344451816.db2.gz IANVGVJYZKMSOR-BBBLOLIVSA-N 0 0 186.295 1.945 10 0 ADAERN CC[C@H](C)C[C@@H]1CC(=O)N1 222396525 344451818 /nfs/dbraw/zinc/45/18/18/344451818.db2.gz FFUMYWXVTOKZEL-NKWVEPMBSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]12CC(=O)N2 222415132 344451820 /nfs/dbraw/zinc/45/18/20/344451820.db2.gz BJLDLUWBLRYMTE-KHQFGBGNSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@@H](C)C[C@H]1CC(=O)N1 222396580 344451830 /nfs/dbraw/zinc/45/18/30/344451830.db2.gz FFUMYWXVTOKZEL-RQJHMYQMSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@@H](CCO)C1 222409264 344451836 /nfs/dbraw/zinc/45/18/36/344451836.db2.gz WXBPPPPCVTTXHP-VGMNWLOBSA-N 0 0 158.241 1.166 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@]2(CC(=O)N2)C1 222414906 344451841 /nfs/dbraw/zinc/45/18/41/344451841.db2.gz BMRUYVPNTHLOID-MRTMQBJTSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@]12CC(=O)N2 222415015 344451896 /nfs/dbraw/zinc/45/18/96/344451896.db2.gz BMRUYVPNTHLOID-WEDXCCLWSA-N 0 0 167.252 1.701 10 0 ADAERN CO[C@@H]1CCC[C@H](C[C@@H](C)O)C1 222394619 344451915 /nfs/dbraw/zinc/45/19/15/344451915.db2.gz QXKHWAQFEWAGPP-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](O)[C@@H](C)[C@@H]1CCOC1 222404579 344451957 /nfs/dbraw/zinc/45/19/57/344451957.db2.gz BPZZFPKWBWVLJF-GJMOJQLCSA-N 0 0 144.214 1.040 10 0 ADAERN C[C@H](O)[C@H](C)[C@@H]1CCCC[C@@H]1O 222404774 344451967 /nfs/dbraw/zinc/45/19/67/344451967.db2.gz DQYGRPROTUZDFR-XKNYDFJKSA-N 0 0 172.268 1.554 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@@H](CCCO)C1 222412659 344451973 /nfs/dbraw/zinc/45/19/73/344451973.db2.gz UTSHHENRVZSRIV-KXUCPTDWSA-N 0 0 172.268 1.556 10 0 ADAERN CNC(=O)Nc1ccccc1N(C)C 222413093 344452022 /nfs/dbraw/zinc/45/20/22/344452022.db2.gz ADCWKFIFVZCTOP-UHFFFAOYSA-N 0 0 193.250 1.504 10 0 ADAERN CC[C@H]([C@H](C)O)[C@@H]1CCC[C@@H]1O 222395629 344452028 /nfs/dbraw/zinc/45/20/28/344452028.db2.gz UTSMNSMNYWCYNY-JXUBOQSCSA-N 0 0 172.268 1.554 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@@H](CCO)C1 222409140 344452041 /nfs/dbraw/zinc/45/20/41/344452041.db2.gz WXBPPPPCVTTXHP-HRDYMLBCSA-N 0 0 158.241 1.166 10 0 ADAERN CC[C@@H](C)C[C@@H]1CC(=O)N1 222396462 344452052 /nfs/dbraw/zinc/45/20/52/344452052.db2.gz FFUMYWXVTOKZEL-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN CC[C@H](C)C[C@H]1CC(=O)N1 222396638 344452056 /nfs/dbraw/zinc/45/20/56/344452056.db2.gz FFUMYWXVTOKZEL-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@@H](CCCO)C1 222412759 344452072 /nfs/dbraw/zinc/45/20/72/344452072.db2.gz UTSHHENRVZSRIV-UTLUCORTSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@H](N1CCOCC1)C(F)(F)F 222397171 344452092 /nfs/dbraw/zinc/45/20/92/344452092.db2.gz ILQHKRMLTPPPOM-LURJTMIESA-N 0 0 183.173 1.269 10 0 ADAERN C[C@H](O)[C@H](C)[C@@H]1CCOC1 222404640 344452099 /nfs/dbraw/zinc/45/20/99/344452099.db2.gz BPZZFPKWBWVLJF-BIIVOSGPSA-N 0 0 144.214 1.040 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]12CC(=O)N2 222415259 344452104 /nfs/dbraw/zinc/45/21/04/344452104.db2.gz BJLDLUWBLRYMTE-WEDXCCLWSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H](O)c2ccc[nH]2)O1 222434407 344452293 /nfs/dbraw/zinc/45/22/93/344452293.db2.gz WAVYNAPCYSBBNU-JEZHCXPESA-N 0 0 181.235 1.616 10 0 ADAERN C[C@@H](c1nnc(N)o1)C(C)(C)C 222442124 344452332 /nfs/dbraw/zinc/45/23/32/344452332.db2.gz ONEOEQRGASCKPV-YFKPBYRVSA-N 0 0 169.228 1.801 10 0 ADAERN CCCCC(=O)N1CC(C)C1 222419986 344452421 /nfs/dbraw/zinc/45/24/21/344452421.db2.gz DLAWVUQWYIJMEQ-UHFFFAOYSA-N 0 0 155.241 1.655 10 0 ADAERN CC[C@@H]1CC[C@@H](O)[C@@H](CCO)C1 222424682 344452431 /nfs/dbraw/zinc/45/24/31/344452431.db2.gz PIUDZCJIQSQIPF-KXUCPTDWSA-N 0 0 172.268 1.556 10 0 ADAERN CCNc1cc(C)cnn1 222419549 344452453 /nfs/dbraw/zinc/45/24/53/344452453.db2.gz VBRSKVDKEPZDCU-UHFFFAOYSA-N 0 0 137.186 1.217 10 0 ADAERN CCC[S@](C)(=N)=O 222489075 344452487 /nfs/dbraw/zinc/45/24/87/344452487.db2.gz WBJIPWOXOPAXDX-SSDOTTSWSA-N 0 0 121.205 1.073 10 0 ADAERN CC[C@@H]1CC[C@H](O)[C@@H](CCO)C1 222424807 344452490 /nfs/dbraw/zinc/45/24/90/344452490.db2.gz PIUDZCJIQSQIPF-UTLUCORTSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](O)c2cc[nH]c2)O1 222434745 344452534 /nfs/dbraw/zinc/45/25/34/344452534.db2.gz UQAVFMHXFLRGKO-QNSHHTMESA-N 0 0 181.235 1.616 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](O)c2ccc[nH]2)O1 222434509 344452577 /nfs/dbraw/zinc/45/25/77/344452577.db2.gz WAVYNAPCYSBBNU-QNSHHTMESA-N 0 0 181.235 1.616 10 0 ADAERN CCC[S@@](C)(=N)=O 222489014 344452587 /nfs/dbraw/zinc/45/25/87/344452587.db2.gz WBJIPWOXOPAXDX-ZETCQYMHSA-N 0 0 121.205 1.073 10 0 ADAERN CC(C)[C@@H]1CC[C@H](O)[C@@H](CCO)C1 222485127 344452605 /nfs/dbraw/zinc/45/26/05/344452605.db2.gz IATSRQHZOIXZIY-VWYCJHECSA-N 0 0 186.295 1.802 10 0 ADAERN C[C@H](c1nnc(N)o1)C(C)(C)C 222442177 344452609 /nfs/dbraw/zinc/45/26/09/344452609.db2.gz ONEOEQRGASCKPV-RXMQYKEDSA-N 0 0 169.228 1.801 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](O)[C@@H](CCO)C1 222485007 344452679 /nfs/dbraw/zinc/45/26/79/344452679.db2.gz IATSRQHZOIXZIY-OUAUKWLOSA-N 0 0 186.295 1.802 10 0 ADAERN C[C@H](N)c1nnc([C@H]2CC[C@@H](C)O2)o1 222508911 344452957 /nfs/dbraw/zinc/45/29/57/344452957.db2.gz LITIRKCPNUBKTC-DSYKOEDSSA-N 0 0 197.238 1.329 10 0 ADAERN O[C@H]1CCC[C@H]1C[C@@H](O)C1CC1 222502302 344453050 /nfs/dbraw/zinc/45/30/50/344453050.db2.gz GEBOIKKPIHEBIW-LPEHRKFASA-N 0 0 170.252 1.308 10 0 ADAERN CC(C)[C@H]([C@H](C)O)[C@@H]1CCOC1 222501221 344453095 /nfs/dbraw/zinc/45/30/95/344453095.db2.gz QVJFNMGEHPPNSP-IVZWLZJFSA-N 0 0 172.268 1.676 10 0 ADAERN O[C@H]1CCC[C@@H]1C[C@@H](O)C1CC1 222502368 344453197 /nfs/dbraw/zinc/45/31/97/344453197.db2.gz GEBOIKKPIHEBIW-KXUCPTDWSA-N 0 0 170.252 1.308 10 0 ADAERN Clc1nncc2c1CCCO2 222509653 344453205 /nfs/dbraw/zinc/45/32/05/344453205.db2.gz SYHASNHUJIHVHZ-UHFFFAOYSA-N 0 0 170.599 1.455 10 0 ADAERN N#CC1(NCc2cnco2)CCCC1 222518330 344453296 /nfs/dbraw/zinc/45/32/96/344453296.db2.gz RLUPHWXFVUVXLV-UHFFFAOYSA-N 0 0 191.234 1.601 10 0 ADAERN C[C@H](N)c1nnc([C@@H]2CC[C@@H](C)O2)o1 222508851 344453303 /nfs/dbraw/zinc/45/33/03/344453303.db2.gz LITIRKCPNUBKTC-VQVTYTSYSA-N 0 0 197.238 1.329 10 0 ADAERN CC[C@H](C)[C@@]1(O)CCO[C@@H](C)C1 222596289 344453472 /nfs/dbraw/zinc/45/34/72/344453472.db2.gz DRMMGNDVAYYGKI-LPEHRKFASA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@H](C)[C@]1(O)CCO[C@@H](C)C1 222596407 344453545 /nfs/dbraw/zinc/45/35/45/344453545.db2.gz DRMMGNDVAYYGKI-GUBZILKMSA-N 0 0 172.268 1.963 10 0 ADAERN CCCc1cc2n(n1)CCCO2 222772620 344454418 /nfs/dbraw/zinc/45/44/18/344454418.db2.gz PRBUITMOQSDNSM-UHFFFAOYSA-N 0 0 166.224 1.618 10 0 ADAERN COC(=O)c1cc(CC(C)C)ncn1 222808449 344454424 /nfs/dbraw/zinc/45/44/24/344454424.db2.gz HXIRPMLETHVWPO-UHFFFAOYSA-N 0 0 194.234 1.462 10 0 ADAERN CCN(O)C(=O)NC(C)(C)C 222816380 344454539 /nfs/dbraw/zinc/45/45/39/344454539.db2.gz PMHATYFFWKXQTI-UHFFFAOYSA-N 0 0 160.217 1.206 10 0 ADAERN CCCCC(=O)OCC(OC)OC 222804724 344454542 /nfs/dbraw/zinc/45/45/42/344454542.db2.gz HQMJDPMOXJWUBL-UHFFFAOYSA-N 0 0 190.239 1.339 10 0 ADAERN CCCNc1nc(C)nc(Cl)n1 222854354 344454829 /nfs/dbraw/zinc/45/48/29/344454829.db2.gz NZJKUFJCKLTYBA-UHFFFAOYSA-N 0 0 186.646 1.655 10 0 ADAERN CNc1cccc2c1C[C@@H](O)C2 222869961 344454926 /nfs/dbraw/zinc/45/49/26/344454926.db2.gz MZIRAMOXGFAOKM-QMMMGPOBSA-N 0 0 163.220 1.188 10 0 ADAERN COc1ccc(P(C)(C)=O)cc1 222852162 344454936 /nfs/dbraw/zinc/45/49/36/344454936.db2.gz KVSWYLBBHWHHDG-UHFFFAOYSA-N 0 0 184.175 1.943 10 0 ADAERN CNc1cccc2c1C[C@H](O)C2 222869897 344455012 /nfs/dbraw/zinc/45/50/12/344455012.db2.gz MZIRAMOXGFAOKM-MRVPVSSYSA-N 0 0 163.220 1.188 10 0 ADAERN CCc1cc(OC)cc(O)c1C=O 222894988 344455226 /nfs/dbraw/zinc/45/52/26/344455226.db2.gz KMRYGCPBGMLIMF-UHFFFAOYSA-N 0 0 180.203 1.776 10 0 ADAERN CC1(C)COc2ccc(N)cc21 222959322 344455375 /nfs/dbraw/zinc/45/53/75/344455375.db2.gz YGBAXYLRPMJCRU-UHFFFAOYSA-N 0 0 163.220 1.939 10 0 ADAERN CC1CCC(Cc2nn[nH]n2)CC1 222979648 344455409 /nfs/dbraw/zinc/45/54/09/344455409.db2.gz KAJQNJZYMYYROG-UHFFFAOYSA-N 0 0 180.255 1.569 10 0 ADAERN C=CC(=O)Nc1cc(N)ccc1C 222982759 344455413 /nfs/dbraw/zinc/45/54/13/344455413.db2.gz CCNLEFLGYNSRQE-UHFFFAOYSA-N 0 0 176.219 1.702 10 0 ADAERN CCCCC(=O)c1noc(C)n1 222963987 344455427 /nfs/dbraw/zinc/45/54/27/344455427.db2.gz CDXCZPHMCYGZDY-UHFFFAOYSA-N 0 0 168.196 1.751 10 0 ADAERN Cc1c(N)cc(N)cc1F 222997316 344455475 /nfs/dbraw/zinc/45/54/75/344455475.db2.gz XANIGMFFAKOFNM-UHFFFAOYSA-N 0 0 140.161 1.299 10 0 ADAERN Nc1nnc(CC2CCC2)s1 222961254 344455568 /nfs/dbraw/zinc/45/55/68/344455568.db2.gz TUDVOXZYFRESIF-UHFFFAOYSA-N 0 0 169.253 1.463 10 0 ADAERN CCC(C)(C)[C@H]1COCC[NH2+]1 223040447 344455973 /nfs/dbraw/zinc/45/59/73/344455973.db2.gz HTDYJRUHEXSQBA-MRVPVSSYSA-N 0 0 157.257 1.411 10 0 ADAERN COc1cc2c(cc1F)C(=O)NC2 223019781 344456118 /nfs/dbraw/zinc/45/61/18/344456118.db2.gz VFPSAKHLNPGEIY-UHFFFAOYSA-N 0 0 181.166 1.078 10 0 ADAERN CCc1nn(C)cc1NC 223049279 344456137 /nfs/dbraw/zinc/45/61/37/344456137.db2.gz DKRKXWBLGDTFJF-UHFFFAOYSA-N 0 0 139.202 1.024 10 0 ADAERN CC(C)[C@H]1COC(C)(C)C1=O 223045830 344456168 /nfs/dbraw/zinc/45/61/68/344456168.db2.gz NXYRRYIOOSCUSR-SSDOTTSWSA-N 0 0 156.225 1.637 10 0 ADAERN COC1(OC)CCO[C@@H](C2CC2)C1 223011477 344456184 /nfs/dbraw/zinc/45/61/84/344456184.db2.gz XXMAILMOECEBBE-SECBINFHSA-N 0 0 186.251 1.565 10 0 ADAERN CC(C)[C@@H]1COC(C)(C)C1=O 223045773 344456189 /nfs/dbraw/zinc/45/61/89/344456189.db2.gz NXYRRYIOOSCUSR-ZETCQYMHSA-N 0 0 156.225 1.637 10 0 ADAERN CCC(C)(C)[C@H]1C[NH2+]CCO1 223040307 344456206 /nfs/dbraw/zinc/45/62/06/344456206.db2.gz AQXYFGADUXYZLK-MRVPVSSYSA-N 0 0 157.257 1.411 10 0 ADAERN CN1CCC[C@@H]1F 223042493 344456210 /nfs/dbraw/zinc/45/62/10/344456210.db2.gz KVIJZIBSUAAIQB-RXMQYKEDSA-N 0 0 103.140 1.008 10 0 ADAERN CCC(C)(C)[C@@H]1COCC[NH2+]1 223040397 344456230 /nfs/dbraw/zinc/45/62/30/344456230.db2.gz HTDYJRUHEXSQBA-QMMMGPOBSA-N 0 0 157.257 1.411 10 0 ADAERN CC(C)C1CC2(CCC(=O)NC2)C1 223005941 344456240 /nfs/dbraw/zinc/45/62/40/344456240.db2.gz BLBQFEXNDMPVRU-UHFFFAOYSA-N 0 0 181.279 1.949 10 0 ADAERN CC(F)(F)c1nnc(N)s1 223033067 344456253 /nfs/dbraw/zinc/45/62/53/344456253.db2.gz URDJRGDXIXBMLP-UHFFFAOYSA-N 0 0 165.168 1.232 10 0 ADAERN CCC(C)(C)[C@@H]1C[NH2+]CCO1 223040239 344456255 /nfs/dbraw/zinc/45/62/55/344456255.db2.gz AQXYFGADUXYZLK-QMMMGPOBSA-N 0 0 157.257 1.411 10 0 ADAERN COC1(OC)CCO[C@H](C2CC2)C1 223011414 344456274 /nfs/dbraw/zinc/45/62/74/344456274.db2.gz XXMAILMOECEBBE-VIFPVBQESA-N 0 0 186.251 1.565 10 0 ADAERN C[C@H](CO)C[C@H]1CCCOC1 223078152 344456438 /nfs/dbraw/zinc/45/64/38/344456438.db2.gz PLDLAHBUBCRWFF-DTWKUNHWSA-N 0 0 158.241 1.432 10 0 ADAERN CC(C)(C)[N@@H+]1CCN[C@@H](C(F)F)C1 223120957 344456482 /nfs/dbraw/zinc/45/64/82/344456482.db2.gz VVRWBNQMRIPUJG-SSDOTTSWSA-N 0 0 192.253 1.324 10 0 ADAERN NC(=S)c1ncc(Cl)s1 223112333 344456598 /nfs/dbraw/zinc/45/65/98/344456598.db2.gz NSAAGGXJKWKZHD-UHFFFAOYSA-N 0 0 178.669 1.431 10 0 ADAERN CCc1cn2cccc2c(=O)[nH]1 223090165 344456650 /nfs/dbraw/zinc/45/66/50/344456650.db2.gz ZRPZEEHYTDTMOH-UHFFFAOYSA-N 0 0 162.192 1.190 10 0 ADAERN C[C@H](CO)C[C@@H]1CCCOC1 223078104 344456730 /nfs/dbraw/zinc/45/67/30/344456730.db2.gz PLDLAHBUBCRWFF-IUCAKERBSA-N 0 0 158.241 1.432 10 0 ADAERN N=C(N)c1ncc(Cl)s1 223114605 344456967 /nfs/dbraw/zinc/45/69/67/344456967.db2.gz CDCDNOAUIJUBSQ-UHFFFAOYSA-N 0 0 161.617 1.081 10 0 ADAERN COC(=O)C(=O)Cc1ccco1 223137315 344457384 /nfs/dbraw/zinc/45/73/84/344457384.db2.gz JOANAXCSHNUTSN-ALCCZGGFSA-N 0 0 168.148 1.352 10 0 ADAERN CC(=O)NCc1c(F)cccc1F 223151524 344457456 /nfs/dbraw/zinc/45/74/56/344457456.db2.gz NLLIFISLWMQNNP-UHFFFAOYSA-N 0 0 185.173 1.601 10 0 ADAERN COCc1nc(-c2cccnc2)no1 223153521 344457607 /nfs/dbraw/zinc/45/76/07/344457607.db2.gz CDDDMMVUOLNVCD-UHFFFAOYSA-N 0 0 191.190 1.278 10 0 ADAERN CN[C@H](CO)c1ncc(Cl)s1 223208475 344457955 /nfs/dbraw/zinc/45/79/55/344457955.db2.gz QFHIXRSMDSDPOR-SCSAIBSYSA-N 0 0 192.671 1.049 10 0 ADAERN CN[C@@H](CO)c1ncc(Cl)s1 223208406 344458231 /nfs/dbraw/zinc/45/82/31/344458231.db2.gz QFHIXRSMDSDPOR-BYPYZUCNSA-N 0 0 192.671 1.049 10 0 ADAERN COC[C@H](O)c1ncc(Cl)s1 223176987 344458246 /nfs/dbraw/zinc/45/82/46/344458246.db2.gz NWWYGKSNWFXSKR-BYPYZUCNSA-N 0 0 193.655 1.476 10 0 ADAERN C[C@@H]1CC[C@]2(CCC(=O)NC2)C1 223243101 344458543 /nfs/dbraw/zinc/45/85/43/344458543.db2.gz ZKOCAMJEBYPPKF-SCZZXKLOSA-N 0 0 167.252 1.703 10 0 ADAERN CC(C)CN1C(=O)CC(C)(C)C[C@H]1O 223224772 344458583 /nfs/dbraw/zinc/45/85/83/344458583.db2.gz VCDXRCZRVLMHQI-SECBINFHSA-N 0 0 199.294 1.609 10 0 ADAERN O=C1C[C@@H](c2ncc(Cl)s2)N1 223280488 344458610 /nfs/dbraw/zinc/45/86/10/344458610.db2.gz YPEQPFTYQHLMDE-VKHMYHEASA-N 0 0 188.639 1.358 10 0 ADAERN C[C@H]1CC[C@]2(CCC(=O)NC2)C1 223243145 344458650 /nfs/dbraw/zinc/45/86/50/344458650.db2.gz ZKOCAMJEBYPPKF-WPRPVWTQSA-N 0 0 167.252 1.703 10 0 ADAERN N[C@@H](CCO)c1ncc(Cl)s1 223239601 344458668 /nfs/dbraw/zinc/45/86/68/344458668.db2.gz XSZORLGFNDTTID-BYPYZUCNSA-N 0 0 192.671 1.179 10 0 ADAERN CCc1cnccc1C(=O)N(C)C 223230167 344458712 /nfs/dbraw/zinc/45/87/12/344458712.db2.gz DMDMDZTUQQFCBQ-UHFFFAOYSA-N 0 0 178.235 1.346 10 0 ADAERN Clc1cnc([C@H]2CO2)s1 223274288 344458724 /nfs/dbraw/zinc/45/87/24/344458724.db2.gz CQLVPFUGBWOSJY-GSVOUGTGSA-N 0 0 161.613 1.868 10 0 ADAERN CC1CC2(CCC(=O)NC2)C1 223242884 344458754 /nfs/dbraw/zinc/45/87/54/344458754.db2.gz YMNGZBIMPRUFFU-UHFFFAOYSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)Cc1ccco1 223274240 344458770 /nfs/dbraw/zinc/45/87/70/344458770.db2.gz MYPMCSWGOKPTDT-QNSHHTMESA-N 0 0 166.220 1.839 10 0 ADAERN C[C@H]1CC[C@@]2(CCC(=O)NC2)C1 223243258 344458784 /nfs/dbraw/zinc/45/87/84/344458784.db2.gz ZKOCAMJEBYPPKF-WCBMZHEXSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)Cc1ccco1 223274122 344458805 /nfs/dbraw/zinc/45/88/05/344458805.db2.gz MYPMCSWGOKPTDT-JEZHCXPESA-N 0 0 166.220 1.839 10 0 ADAERN Clc1cnc([C@@H]2CO2)s1 223274230 344458822 /nfs/dbraw/zinc/45/88/22/344458822.db2.gz CQLVPFUGBWOSJY-VKHMYHEASA-N 0 0 161.613 1.868 10 0 ADAERN CC(C)CN1C(=O)CC(C)(C)C[C@@H]1O 223224835 344458941 /nfs/dbraw/zinc/45/89/41/344458941.db2.gz VCDXRCZRVLMHQI-VIFPVBQESA-N 0 0 199.294 1.609 10 0 ADAERN N[C@H](CCO)c1ncc(Cl)s1 223239656 344458949 /nfs/dbraw/zinc/45/89/49/344458949.db2.gz XSZORLGFNDTTID-SCSAIBSYSA-N 0 0 192.671 1.179 10 0 ADAERN O=C1C[C@H](c2ncc(Cl)s2)N1 223280544 344458954 /nfs/dbraw/zinc/45/89/54/344458954.db2.gz YPEQPFTYQHLMDE-GSVOUGTGSA-N 0 0 188.639 1.358 10 0 ADAERN C[C@@H]1CC[C@@]2(CCC(=O)NC2)C1 223243209 344459011 /nfs/dbraw/zinc/45/90/11/344459011.db2.gz ZKOCAMJEBYPPKF-PSASIEDQSA-N 0 0 167.252 1.703 10 0 ADAERN Cc1[nH]nc(-c2ccncc2)c1C=O 223329782 344459239 /nfs/dbraw/zinc/45/92/39/344459239.db2.gz ZOMMANNOUPYLOA-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN Cc1cc(-c2ncno2)c(N)s1 223290494 344459246 /nfs/dbraw/zinc/45/92/46/344459246.db2.gz YHGIKVIEAXRDJY-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CCCC[S@](=O)c1ccc(O)cn1 223309367 344459527 /nfs/dbraw/zinc/45/95/27/344459527.db2.gz QZINSUVBABCIJC-ZDUSSCGKSA-N 0 0 199.275 1.695 10 0 ADAERN OC/C=C/c1ncc(Cl)s1 223323460 344459619 /nfs/dbraw/zinc/45/96/19/344459619.db2.gz MUYRSBMDSVUCTP-OWOJBTEDSA-N 0 0 175.640 1.802 10 0 ADAERN O=C1CSC[C@@H]1[C@@H]1CCC[C@@H]1O 223388650 344459801 /nfs/dbraw/zinc/45/98/01/344459801.db2.gz JTJYAUJSPICHKK-RNJXMRFFSA-N 0 0 186.276 1.080 10 0 ADAERN Cc1nc(Cl)cc([C@H]2C[C@H]2C=O)n1 223421428 344459840 /nfs/dbraw/zinc/45/98/40/344459840.db2.gz AZWQQELJXLRLKG-BQBZGAKWSA-N 0 0 196.637 1.741 10 0 ADAERN NNC[C@@H]1CCc2ccccc2C1 223415955 344459854 /nfs/dbraw/zinc/45/98/54/344459854.db2.gz ALXVAVDYGLUVMH-SECBINFHSA-N 0 0 176.263 1.255 10 0 ADAERN Cc1nc(Cl)cc([C@@H]2C[C@@H]2C=O)n1 223421260 344459944 /nfs/dbraw/zinc/45/99/44/344459944.db2.gz AZWQQELJXLRLKG-RNFRBKRXSA-N 0 0 196.637 1.741 10 0 ADAERN Cc1nc(Cl)cc([C@H]2C[C@@H]2C=O)n1 223421318 344459969 /nfs/dbraw/zinc/45/99/69/344459969.db2.gz AZWQQELJXLRLKG-RQJHMYQMSA-N 0 0 196.637 1.741 10 0 ADAERN O=C1CSC[C@@H]1[C@H]1CCC[C@@H]1O 223388708 344459993 /nfs/dbraw/zinc/45/99/93/344459993.db2.gz JTJYAUJSPICHKK-PRJMDXOYSA-N 0 0 186.276 1.080 10 0 ADAERN Cc1nc(Cl)cc([C@@H]2C[C@H]2CO)n1 223422377 344460292 /nfs/dbraw/zinc/46/02/92/344460292.db2.gz FHRXSPQAEMMSDL-NKWVEPMBSA-N 0 0 198.653 1.534 10 0 ADAERN Cc1nc(Cl)cc([C@@H]2C[C@H]2C=O)n1 223421378 344460298 /nfs/dbraw/zinc/46/02/98/344460298.db2.gz AZWQQELJXLRLKG-NKWVEPMBSA-N 0 0 196.637 1.741 10 0 ADAERN NNC[C@H]1CCc2ccccc2C1 223416007 344460321 /nfs/dbraw/zinc/46/03/21/344460321.db2.gz ALXVAVDYGLUVMH-VIFPVBQESA-N 0 0 176.263 1.255 10 0 ADAERN Cc1ccc(N)cc1-c1ncno1 223418790 344460324 /nfs/dbraw/zinc/46/03/24/344460324.db2.gz XJUOFKYASFMFGQ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CCSC(=O)O[C@H](C)OC(C)=O 223459422 344460377 /nfs/dbraw/zinc/46/03/77/344460377.db2.gz HMBXLKAPCSYLBV-ZCFIWIBFSA-N 0 0 192.236 1.785 10 0 ADAERN c1cncc(Nc2cc[nH]n2)c1 223444564 344460400 /nfs/dbraw/zinc/46/04/00/344460400.db2.gz VKOQSAZORSCUSG-UHFFFAOYSA-N 0 0 160.180 1.548 10 0 ADAERN O=C(c1cncc(Cl)c1)N1CCC1 223471026 344460411 /nfs/dbraw/zinc/46/04/11/344460411.db2.gz SBYXXCJHGHDKFW-UHFFFAOYSA-N 0 0 196.637 1.581 10 0 ADAERN CCSC(=O)O[C@@H](C)OC(C)=O 223459366 344460427 /nfs/dbraw/zinc/46/04/27/344460427.db2.gz HMBXLKAPCSYLBV-LURJTMIESA-N 0 0 192.236 1.785 10 0 ADAERN CCOC(=O)C1=CN(O)CC=C1C 223626032 344460688 /nfs/dbraw/zinc/46/06/88/344460688.db2.gz ZZYUNNMJIFOVEK-UHFFFAOYSA-N 0 0 183.207 1.085 10 0 ADAERN COC1CC(C(=O)C(C)C)C1 223629275 344460863 /nfs/dbraw/zinc/46/08/63/344460863.db2.gz PLNZPCIKIASZFD-UHFFFAOYSA-N 0 0 156.225 1.637 10 0 ADAERN CCC1(CC)C(=O)N[C@@H]1C 223621155 344460865 /nfs/dbraw/zinc/46/08/65/344460865.db2.gz GZGAGTRZNFUQBS-ZCFIWIBFSA-N 0 0 141.214 1.311 10 0 ADAERN Clc1ccc(-n2nccn2)cc1 223604238 344460868 /nfs/dbraw/zinc/46/08/68/344460868.db2.gz IVDWKXWSTXLWGA-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN Cn1nc(-c2ccsc2)cc1CO 223616815 344460901 /nfs/dbraw/zinc/46/09/01/344460901.db2.gz QITPEFJENDUBAV-UHFFFAOYSA-N 0 0 194.259 1.641 10 0 ADAERN N#CNCC[C@H]1CCCCO1 223627754 344460929 /nfs/dbraw/zinc/46/09/29/344460929.db2.gz WJZBLRUIWPZOAW-MRVPVSSYSA-N 0 0 154.213 1.016 10 0 ADAERN CCC1(CC)C(=O)N[C@H]1C 223621105 344460980 /nfs/dbraw/zinc/46/09/80/344460980.db2.gz GZGAGTRZNFUQBS-LURJTMIESA-N 0 0 141.214 1.311 10 0 ADAERN N#CNCC[C@@H]1CCCCO1 223627719 344460986 /nfs/dbraw/zinc/46/09/86/344460986.db2.gz WJZBLRUIWPZOAW-QMMMGPOBSA-N 0 0 154.213 1.016 10 0 ADAERN Cc1cnn(-c2c(F)cccc2F)n1 223647076 344461241 /nfs/dbraw/zinc/46/12/41/344461241.db2.gz GVFZABDKTFOQBR-UHFFFAOYSA-N 0 0 195.172 1.854 10 0 ADAERN CO[C@@H](C)CNc1cc(N)cc(F)c1 223655542 344461360 /nfs/dbraw/zinc/46/13/60/344461360.db2.gz JHQRTOGAMAFHHK-ZETCQYMHSA-N 0 0 198.241 1.855 10 0 ADAERN CC(C)(C)OC(=O)N1C=C(O)CC1=O 223648270 344461425 /nfs/dbraw/zinc/46/14/25/344461425.db2.gz VNMONXKYHFLGDC-UHFFFAOYSA-N 0 0 199.206 1.683 10 0 ADAERN Clc1nccc(Nc2cn[nH]c2)n1 223663196 344461433 /nfs/dbraw/zinc/46/14/33/344461433.db2.gz BNWLGCVCXLDWHZ-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN CO[C@H](C)CNc1cc(N)cc(F)c1 223655595 344461566 /nfs/dbraw/zinc/46/15/66/344461566.db2.gz JHQRTOGAMAFHHK-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN CCN1CCOC[C@H]1c1cccnc1 223689063 344462089 /nfs/dbraw/zinc/46/20/89/344462089.db2.gz IXNKVIPTCZTPJY-NSHDSACASA-N 0 0 192.262 1.475 10 0 ADAERN CCC[C@H]1CC[C@H](CO)O1 223709857 344462110 /nfs/dbraw/zinc/46/21/10/344462110.db2.gz DQWCRKCYNVNMSJ-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCN1CCOC[C@@H]1c1cccnc1 223689008 344462124 /nfs/dbraw/zinc/46/21/24/344462124.db2.gz IXNKVIPTCZTPJY-LLVKDONJSA-N 0 0 192.262 1.475 10 0 ADAERN CC(C)c1csc(C(=N)N)n1 223695512 344462161 /nfs/dbraw/zinc/46/21/61/344462161.db2.gz UBWQDBBKNNCNBJ-UHFFFAOYSA-N 0 0 169.253 1.551 10 0 ADAERN N=C(N)c1nc(C(F)F)cs1 223703744 344462169 /nfs/dbraw/zinc/46/21/69/344462169.db2.gz GABVVSLFGSVHTK-UHFFFAOYSA-N 0 0 177.179 1.365 10 0 ADAERN Cc1ccc([C@@]2(O)CCOC2)cc1F 223716744 344462623 /nfs/dbraw/zinc/46/26/23/344462623.db2.gz MIBDHEHAWRBSLM-LLVKDONJSA-N 0 0 196.221 1.742 10 0 ADAERN CCNC(=O)[C@H](OCC)C(C)C 223863223 344463528 /nfs/dbraw/zinc/46/35/28/344463528.db2.gz DKKUHSPLJABIPN-MRVPVSSYSA-N 0 0 173.256 1.184 10 0 ADAERN CCOc1ccc2c[nH]nc2c1 223819631 344463593 /nfs/dbraw/zinc/46/35/93/344463593.db2.gz NEYZZAILZARWFO-UHFFFAOYSA-N 0 0 162.192 1.962 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H](C)O)cc1F 223841236 344463595 /nfs/dbraw/zinc/46/35/95/344463595.db2.gz TZSZUIBCMQRCES-XCBNKYQSSA-N 0 0 184.210 1.548 10 0 ADAERN Cc1ccc(C(=O)[C@@H](C)O)cc1F 223788008 344463689 /nfs/dbraw/zinc/46/36/89/344463689.db2.gz BDHBFMMAVVEOER-SSDOTTSWSA-N 0 0 182.194 1.698 10 0 ADAERN Cc1ccc([C@H](O)[C@@H](C)O)cc1F 223841292 344463729 /nfs/dbraw/zinc/46/37/29/344463729.db2.gz TZSZUIBCMQRCES-GMSGAONNSA-N 0 0 184.210 1.548 10 0 ADAERN CCNC(=O)[C@@H](OCC)C(C)C 223863272 344463799 /nfs/dbraw/zinc/46/37/99/344463799.db2.gz DKKUHSPLJABIPN-QMMMGPOBSA-N 0 0 173.256 1.184 10 0 ADAERN Cc1ccc(C(=O)[C@H](C)O)cc1F 223788049 344463852 /nfs/dbraw/zinc/46/38/52/344463852.db2.gz BDHBFMMAVVEOER-ZETCQYMHSA-N 0 0 182.194 1.698 10 0 ADAERN Cc1ccc([C@@H](O)[C@H](C)O)cc1F 223841345 344463869 /nfs/dbraw/zinc/46/38/69/344463869.db2.gz TZSZUIBCMQRCES-XVKPBYJWSA-N 0 0 184.210 1.548 10 0 ADAERN Cc1ccc([C@H](O)[C@H](C)O)cc1F 223841406 344463901 /nfs/dbraw/zinc/46/39/01/344463901.db2.gz TZSZUIBCMQRCES-OIBJUYFYSA-N 0 0 184.210 1.548 10 0 ADAERN COc1cc(N)ccc1-c1cn[nH]c1 223800508 344463936 /nfs/dbraw/zinc/46/39/36/344463936.db2.gz VXMCSHRDYGTHFS-UHFFFAOYSA-N 0 0 189.218 1.668 10 0 ADAERN C[C@H]1CC=C[C@](C)(O)C1 223839059 344463968 /nfs/dbraw/zinc/46/39/68/344463968.db2.gz QYEGQMZZOCXIAZ-YUMQZZPRSA-N 0 0 126.199 1.724 10 0 ADAERN CC1CC(n2cnc(C=O)c2)C1 223791089 344463976 /nfs/dbraw/zinc/46/39/76/344463976.db2.gz SNDOQLPEQVZAFO-UHFFFAOYSA-N 0 0 164.208 1.667 10 0 ADAERN C=C[Si](C=C)(C=C)CCCO 223786682 344463981 /nfs/dbraw/zinc/46/39/81/344463981.db2.gz BTHWOXKNMFIASY-UHFFFAOYSA-N 0 0 168.312 1.993 10 0 ADAERN N#C[C@H]1CCC(=O)[C@H]1Br 223929836 344464084 /nfs/dbraw/zinc/46/40/84/344464084.db2.gz LPRVSQFMIKYHKY-XINAWCOVSA-N 0 0 188.024 1.253 10 0 ADAERN N#C[C@@H]1CCC(=O)[C@@H]1Br 223929708 344464094 /nfs/dbraw/zinc/46/40/94/344464094.db2.gz LPRVSQFMIKYHKY-UJURSFKZSA-N 0 0 188.024 1.253 10 0 ADAERN CCNc1ccncc1F 223872723 344464196 /nfs/dbraw/zinc/46/41/96/344464196.db2.gz CWJXGBRRCNAHRA-UHFFFAOYSA-N 0 0 140.161 1.653 10 0 ADAERN COC(=O)[C@H]1CCCc2ncsc21 223930680 344464216 /nfs/dbraw/zinc/46/42/16/344464216.db2.gz ZDMFUKUPOLTVOE-LURJTMIESA-N 0 0 197.259 1.736 10 0 ADAERN N#C[C@H]1CCC(=O)[C@@H]1Br 223929794 344464370 /nfs/dbraw/zinc/46/43/70/344464370.db2.gz LPRVSQFMIKYHKY-INEUFUBQSA-N 0 0 188.024 1.253 10 0 ADAERN COC(=O)[C@@H]1CCCc2ncsc21 223930627 344464431 /nfs/dbraw/zinc/46/44/31/344464431.db2.gz ZDMFUKUPOLTVOE-ZCFIWIBFSA-N 0 0 197.259 1.736 10 0 ADAERN CCCCNC(=O)C(C)(C)OC 223990585 344464619 /nfs/dbraw/zinc/46/46/19/344464619.db2.gz LVPVBYBGMWYROY-UHFFFAOYSA-N 0 0 173.256 1.328 10 0 ADAERN COC(=O)[C@H]1CCCc2c1cnn2C 223962954 344464633 /nfs/dbraw/zinc/46/46/33/344464633.db2.gz ZBXOGRCFXWKZKY-ZETCQYMHSA-N 0 0 194.234 1.013 10 0 ADAERN COC(C)(C)C(=O)NCC(C)C 223991906 344464686 /nfs/dbraw/zinc/46/46/86/344464686.db2.gz JVPNRIIEKYWWDU-UHFFFAOYSA-N 0 0 173.256 1.184 10 0 ADAERN CC[C@H](C)NC(=O)C(C)(C)OC 223988418 344464747 /nfs/dbraw/zinc/46/47/47/344464747.db2.gz CLYVSFABRRZHFC-ZETCQYMHSA-N 0 0 173.256 1.326 10 0 ADAERN CCC[C@@H](C)NC(=O)C(C)(C)OC 223993313 344464761 /nfs/dbraw/zinc/46/47/61/344464761.db2.gz ICVHRAIHBFAVDF-MRVPVSSYSA-N 0 0 187.283 1.716 10 0 ADAERN COC(=O)[C@@H]1CCCc2c1cnn2C 223962882 344464781 /nfs/dbraw/zinc/46/47/81/344464781.db2.gz ZBXOGRCFXWKZKY-SSDOTTSWSA-N 0 0 194.234 1.013 10 0 ADAERN CC[C@@H](C)NC(=O)C(C)(C)OC 223988365 344464841 /nfs/dbraw/zinc/46/48/41/344464841.db2.gz CLYVSFABRRZHFC-SSDOTTSWSA-N 0 0 173.256 1.326 10 0 ADAERN Cc1ncnc(NC2CCC2)c1F 223938977 344464845 /nfs/dbraw/zinc/46/48/45/344464845.db2.gz KWVOQSYJEWDWIR-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN Nc1nccnc1NC1CCC1 223938202 344464903 /nfs/dbraw/zinc/46/49/03/344464903.db2.gz JAPLXZNCJMJJFN-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CCC(CC)NC(=O)C(C)(C)OC 223992382 344464914 /nfs/dbraw/zinc/46/49/14/344464914.db2.gz GZCYOZRCXNHRFF-UHFFFAOYSA-N 0 0 187.283 1.716 10 0 ADAERN COC(C)(C)C(=O)NCc1ccco1 223988166 344464945 /nfs/dbraw/zinc/46/49/45/344464945.db2.gz IBYNRSFQYLMUMS-UHFFFAOYSA-N 0 0 197.234 1.321 10 0 ADAERN CCCCCNC(=O)C(C)(C)OC 223988497 344464956 /nfs/dbraw/zinc/46/49/56/344464956.db2.gz HEKJVMNZPRBZOG-UHFFFAOYSA-N 0 0 187.283 1.718 10 0 ADAERN COC(C)(C)C(=O)NCCC(C)C 223990708 344464958 /nfs/dbraw/zinc/46/49/58/344464958.db2.gz FGZGSHVFPRDCBG-UHFFFAOYSA-N 0 0 187.283 1.574 10 0 ADAERN COC(C)(C)C(=O)NCC1CCCC1 224014027 344465137 /nfs/dbraw/zinc/46/51/37/344465137.db2.gz PYHCJVBQEHHXKI-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN C[NH2+][C@H](C)C(=O)c1ccc(C)c(F)c1 224040877 344465155 /nfs/dbraw/zinc/46/51/55/344465155.db2.gz JFPYWPZELFVEFZ-MRVPVSSYSA-N 0 0 195.237 1.925 10 0 ADAERN COC(C)(C)C(=O)Nc1cnoc1 224026951 344465165 /nfs/dbraw/zinc/46/51/65/344465165.db2.gz UPYGLERMBRXLJS-UHFFFAOYSA-N 0 0 184.195 1.038 10 0 ADAERN C#Cc1nn(C(F)F)cc1Cl 223996137 344465222 /nfs/dbraw/zinc/46/52/22/344465222.db2.gz KZBOWNPZNFNVHY-UHFFFAOYSA-N 0 0 176.553 1.913 10 0 ADAERN COC(C)(C)C(=O)N(C)CC1CC1 224020546 344465239 /nfs/dbraw/zinc/46/52/39/344465239.db2.gz ODCXBWQRIDZFLG-UHFFFAOYSA-N 0 0 185.267 1.280 10 0 ADAERN CC(=O)c1c(C)cc(N)cc1F 224022627 344465254 /nfs/dbraw/zinc/46/52/54/344465254.db2.gz IVYFWRAGXMEJHB-UHFFFAOYSA-N 0 0 167.183 1.919 10 0 ADAERN COC(C)(C)C(=O)NCC(F)(F)F 224008206 344465260 /nfs/dbraw/zinc/46/52/60/344465260.db2.gz GOYIXJYGHMUSIX-UHFFFAOYSA-N 0 0 199.172 1.090 10 0 ADAERN COC(C)(C)C(=O)NC[C@@H](C)C1CC1 224024199 344465266 /nfs/dbraw/zinc/46/52/66/344465266.db2.gz PMXVZWUCOUVNNV-MRVPVSSYSA-N 0 0 199.294 1.574 10 0 ADAERN COC(C)(C)C(=O)N[C@@H](C)C(C)C 223995564 344465271 /nfs/dbraw/zinc/46/52/71/344465271.db2.gz KFZYNAFNHYDLBO-QMMMGPOBSA-N 0 0 187.283 1.572 10 0 ADAERN C[NH2+][C@@H](C)C(=O)c1ccc(C)c(F)c1 224040829 344465285 /nfs/dbraw/zinc/46/52/85/344465285.db2.gz JFPYWPZELFVEFZ-QMMMGPOBSA-N 0 0 195.237 1.925 10 0 ADAERN COCCCSCC[NH+](C)C 224040040 344465326 /nfs/dbraw/zinc/46/53/26/344465326.db2.gz FEQDNDDDDXSXEE-UHFFFAOYSA-N 0 0 177.313 1.318 10 0 ADAERN CCCN(CC)C(=O)C(C)(C)OC 224013026 344465333 /nfs/dbraw/zinc/46/53/33/344465333.db2.gz IVOQQOCDODFUBN-UHFFFAOYSA-N 0 0 187.283 1.670 10 0 ADAERN COC(C)(C)C(=O)NC[C@@H]1C[C@H]1C 224040208 344465340 /nfs/dbraw/zinc/46/53/40/344465340.db2.gz CYKZRMJAEBKARX-SFYZADRCSA-N 0 0 185.267 1.184 10 0 ADAERN CCCN(C)C(=O)C(C)(C)OC 224026220 344465366 /nfs/dbraw/zinc/46/53/66/344465366.db2.gz MGDQJDULBUWLIM-UHFFFAOYSA-N 0 0 173.256 1.280 10 0 ADAERN CCC[C@H](C)NC(=O)C(C)(C)OC 223993366 344465389 /nfs/dbraw/zinc/46/53/89/344465389.db2.gz ICVHRAIHBFAVDF-QMMMGPOBSA-N 0 0 187.283 1.716 10 0 ADAERN COC(C)(C)C(=O)NCC1CCC1 224015252 344465405 /nfs/dbraw/zinc/46/54/05/344465405.db2.gz UTPIBZZQMKRKSF-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN COC(C)(C)C(=O)NC[C@H]1C[C@@H]1C 224040163 344465408 /nfs/dbraw/zinc/46/54/08/344465408.db2.gz CYKZRMJAEBKARX-JGVFFNPUSA-N 0 0 185.267 1.184 10 0 ADAERN COC(C)(C)C(=O)N[C@H](C)C(C)C 223995626 344465414 /nfs/dbraw/zinc/46/54/14/344465414.db2.gz KFZYNAFNHYDLBO-MRVPVSSYSA-N 0 0 187.283 1.572 10 0 ADAERN COC(C)(C)C(=O)N[C@@H](C)C1CC1 224002253 344465438 /nfs/dbraw/zinc/46/54/38/344465438.db2.gz OVDZBTGEYWCBGR-ZETCQYMHSA-N 0 0 185.267 1.326 10 0 ADAERN COC(C)(C)C(=O)NC[C@@H]1C[C@@H]1C 224040110 344465441 /nfs/dbraw/zinc/46/54/41/344465441.db2.gz CYKZRMJAEBKARX-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN COC(C)(C)C(=O)N[C@H](C)C1CC1 224002305 344465448 /nfs/dbraw/zinc/46/54/48/344465448.db2.gz OVDZBTGEYWCBGR-SSDOTTSWSA-N 0 0 185.267 1.326 10 0 ADAERN COC(C)(C)C(=O)N(C)C(C)C 224007194 344465450 /nfs/dbraw/zinc/46/54/50/344465450.db2.gz DYDYBSLCZLOPRJ-UHFFFAOYSA-N 0 0 173.256 1.278 10 0 ADAERN COC(C)(C)C(=O)N(C)CC(C)C 224013113 344465460 /nfs/dbraw/zinc/46/54/60/344465460.db2.gz LTVZKENSSZSMNT-UHFFFAOYSA-N 0 0 187.283 1.526 10 0 ADAERN COC(C)(C)C(=O)NCC(C)(C)C 224023473 344465464 /nfs/dbraw/zinc/46/54/64/344465464.db2.gz BWZRZTCPWWRQOD-UHFFFAOYSA-N 0 0 187.283 1.574 10 0 ADAERN CCCCN(C)C(=O)C(C)(C)OC 224010236 344465478 /nfs/dbraw/zinc/46/54/78/344465478.db2.gz HGNOORYETOAWFH-UHFFFAOYSA-N 0 0 187.283 1.670 10 0 ADAERN COC(C)(C)C(=O)NC[C@H]1C[C@H]1C 224040264 344465488 /nfs/dbraw/zinc/46/54/88/344465488.db2.gz CYKZRMJAEBKARX-HTQZYQBOSA-N 0 0 185.267 1.184 10 0 ADAERN COC(C)(C)C(=O)N(C)CC(F)F 224028473 344465492 /nfs/dbraw/zinc/46/54/92/344465492.db2.gz FWCWPBMQZVMELZ-UHFFFAOYSA-N 0 0 195.209 1.135 10 0 ADAERN CCn1cc(N)cc(Cl)c1=O 224105521 344465615 /nfs/dbraw/zinc/46/56/15/344465615.db2.gz FOZGPHQBYVLAHW-UHFFFAOYSA-N 0 0 172.615 1.104 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)c1cc[nH]c1 224086356 344465783 /nfs/dbraw/zinc/46/57/83/344465783.db2.gz GGDPCRBQXGUCNF-VDAHYXPESA-N 0 0 151.209 1.704 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)c1ccc[nH]1 224085432 344465900 /nfs/dbraw/zinc/46/59/00/344465900.db2.gz FIJPGKAJUINMPZ-ZXFLCMHBSA-N 0 0 151.209 1.704 10 0 ADAERN CON(C)C(=O)c1sccc1F 224094637 344465933 /nfs/dbraw/zinc/46/59/33/344465933.db2.gz IFCBPPXJYJIANC-UHFFFAOYSA-N 0 0 189.211 1.521 10 0 ADAERN CC(=O)O[C@]1(C)C[C@@H]1C 224083990 344465954 /nfs/dbraw/zinc/46/59/54/344465954.db2.gz SZGPEBBKPSWXKH-CAHLUQPWSA-N 0 0 128.171 1.348 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)c1ccc[nH]1 224085325 344465962 /nfs/dbraw/zinc/46/59/62/344465962.db2.gz FIJPGKAJUINMPZ-BKPPORCPSA-N 0 0 151.209 1.704 10 0 ADAERN Nc1cccc(Cl)c1-c1ncno1 224078813 344466031 /nfs/dbraw/zinc/46/60/31/344466031.db2.gz DZRBRNFRWQLITR-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CC(=O)O[C@]1(C)C[C@H]1C 224083942 344466034 /nfs/dbraw/zinc/46/60/34/344466034.db2.gz SZGPEBBKPSWXKH-IYSWYEEDSA-N 0 0 128.171 1.348 10 0 ADAERN COC(C)(C)C(=O)NCc1ccoc1 224046759 344466035 /nfs/dbraw/zinc/46/60/35/344466035.db2.gz RDXMNSYTYCHMFM-UHFFFAOYSA-N 0 0 197.234 1.321 10 0 ADAERN CNC(=O)C=C1CCCC1 224142013 344466111 /nfs/dbraw/zinc/46/61/11/344466111.db2.gz BZCMMFVSWLPONM-UHFFFAOYSA-N 0 0 139.198 1.233 10 0 ADAERN CCC(=CC(=O)NC)CC 224141551 344466158 /nfs/dbraw/zinc/46/61/58/344466158.db2.gz HZJPZYUFSFDCRU-UHFFFAOYSA-N 0 0 141.214 1.479 10 0 ADAERN CC1CCC(NC(=O)C(C)(C)O)CC1 224108325 344466474 /nfs/dbraw/zinc/46/64/74/344466474.db2.gz JHSXFAWFDBSUAP-UHFFFAOYSA-N 0 0 199.294 1.452 10 0 ADAERN N=C(N)c1nc(C2CC2)cs1 224111354 344466485 /nfs/dbraw/zinc/46/64/85/344466485.db2.gz USURXGUYRFZDPD-UHFFFAOYSA-N 0 0 167.237 1.305 10 0 ADAERN COc1ccc(-c2ncno2)cc1N 224120299 344466580 /nfs/dbraw/zinc/46/65/80/344466580.db2.gz QFBDLYDCVVUEOT-UHFFFAOYSA-N 0 0 191.190 1.327 10 0 ADAERN CCOC(=O)Cc1cccc(N)c1C 224185539 344466855 /nfs/dbraw/zinc/46/68/55/344466855.db2.gz HVOZUIWWSPZBMH-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CC(C)C1 224279178 344467325 /nfs/dbraw/zinc/46/73/25/344467325.db2.gz LZVRNBSFBUSAQY-RKDXNWHRSA-N 0 0 167.252 1.511 10 0 ADAERN Cc1cc(C)n(Cc2cc[nH]n2)n1 224231338 344467446 /nfs/dbraw/zinc/46/74/46/344467446.db2.gz DJXSKFVLQJQRPZ-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN Oc1cccnc1N1CCCC1 224227397 344467485 /nfs/dbraw/zinc/46/74/85/344467485.db2.gz HFNVCNKPIFBWIZ-UHFFFAOYSA-N 0 0 164.208 1.387 10 0 ADAERN CC/C=C/SC[C@H]([NH3+])C(=O)[O-] 224278445 344467611 /nfs/dbraw/zinc/46/76/11/344467611.db2.gz BLDFZNJAYHKDJE-YUDCMIJISA-N 0 0 175.253 1.055 10 0 ADAERN C[C@H](N)c1nnc([C@@H]2C[C@@H]2C)o1 224321897 344467826 /nfs/dbraw/zinc/46/78/26/344467826.db2.gz INFMBJAQCISFLP-HCWXCVPCSA-N 0 0 167.212 1.213 10 0 ADAERN O=C1NCCC[C@H]1Oc1ccccc1 224336100 344467840 /nfs/dbraw/zinc/46/78/40/344467840.db2.gz SQTDWPRTJKXJDY-SNVBAGLBSA-N 0 0 191.230 1.344 10 0 ADAERN CO[C@@H](C)CNc1nc(C)cs1 224322769 344467857 /nfs/dbraw/zinc/46/78/57/344467857.db2.gz UVUHFWXLNSMROA-ZETCQYMHSA-N 0 0 186.280 1.898 10 0 ADAERN Cc1nc(Cl)cc([C@H]2C[C@H]2CO)n1 224360519 344467862 /nfs/dbraw/zinc/46/78/62/344467862.db2.gz FHRXSPQAEMMSDL-BQBZGAKWSA-N 0 0 198.653 1.534 10 0 ADAERN CCOC(=O)Cc1ccc(N)cc1C 224308260 344467879 /nfs/dbraw/zinc/46/78/79/344467879.db2.gz NOQLFJVXJWXVAB-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN O=C1Nc2cnccc2C12CCCC2 224356242 344467902 /nfs/dbraw/zinc/46/79/02/344467902.db2.gz GOTDBVXVYHQCOX-UHFFFAOYSA-N 0 0 188.230 1.846 10 0 ADAERN C[C@H](N)c1nnc([C@H]2C[C@@H]2C)o1 224321946 344467932 /nfs/dbraw/zinc/46/79/32/344467932.db2.gz INFMBJAQCISFLP-ZLUOBGJFSA-N 0 0 167.212 1.213 10 0 ADAERN Cc1nc(Cl)cc([C@@H]2C[C@@H]2CO)n1 224360410 344467985 /nfs/dbraw/zinc/46/79/85/344467985.db2.gz FHRXSPQAEMMSDL-RNFRBKRXSA-N 0 0 198.653 1.534 10 0 ADAERN C1=C[C@@H]2[C@@H](C1)C[C@@H]2Nc1cn[nH]c1 224351275 344468005 /nfs/dbraw/zinc/46/80/05/344468005.db2.gz NZKWHSUSGREGHA-SFGNSQDASA-N 0 0 175.235 1.786 10 0 ADAERN c1n[nH]cc1NC[C@H]1CCSC1 224316954 344468012 /nfs/dbraw/zinc/46/80/12/344468012.db2.gz LLIWBFGITRYYKE-SSDOTTSWSA-N 0 0 183.280 1.575 10 0 ADAERN CC(C)(C)[C@@]1(C)CCC(=O)NC1 226318772 344498986 /nfs/dbraw/zinc/49/89/86/344498986.db2.gz AGCJBMAZURRFHG-JTQLQIEISA-N 0 0 169.268 1.949 10 0 ADAERN CO[C@H](C)CNc1nc(C)cs1 224322824 344468034 /nfs/dbraw/zinc/46/80/34/344468034.db2.gz UVUHFWXLNSMROA-SSDOTTSWSA-N 0 0 186.280 1.898 10 0 ADAERN Cc1nc(Cl)cc([C@H]2C[C@@H]2CO)n1 224360464 344468066 /nfs/dbraw/zinc/46/80/66/344468066.db2.gz FHRXSPQAEMMSDL-RQJHMYQMSA-N 0 0 198.653 1.534 10 0 ADAERN c1n[nH]cc1NC[C@@H]1CCSC1 224316900 344468073 /nfs/dbraw/zinc/46/80/73/344468073.db2.gz LLIWBFGITRYYKE-ZETCQYMHSA-N 0 0 183.280 1.575 10 0 ADAERN C1=C[C@H]2[C@@H](Nc3cn[nH]c3)C[C@H]2C1 224351220 344468082 /nfs/dbraw/zinc/46/80/82/344468082.db2.gz NZKWHSUSGREGHA-QNSHHTMESA-N 0 0 175.235 1.786 10 0 ADAERN O=C1NCCC[C@@H]1Oc1ccccc1 224336154 344468083 /nfs/dbraw/zinc/46/80/83/344468083.db2.gz SQTDWPRTJKXJDY-JTQLQIEISA-N 0 0 191.230 1.344 10 0 ADAERN CO[C@@H](C)Cn1cc[nH]c1=S 224372295 344468333 /nfs/dbraw/zinc/46/83/33/344468333.db2.gz XJOSFTFKGXPXSM-LURJTMIESA-N 0 0 172.253 1.207 10 0 ADAERN CCOC(=O)C[C@H](C=O)C(F)(F)F 224376928 344468421 /nfs/dbraw/zinc/46/84/21/344468421.db2.gz AJJJBAUASFSALR-RXMQYKEDSA-N 0 0 198.140 1.317 10 0 ADAERN CCOC(=O)C[C@@H](C=O)C(F)(F)F 224376879 344468486 /nfs/dbraw/zinc/46/84/86/344468486.db2.gz AJJJBAUASFSALR-YFKPBYRVSA-N 0 0 198.140 1.317 10 0 ADAERN Cc1nn([C@H]2CCCOC2)cc1N 224392426 344468490 /nfs/dbraw/zinc/46/84/90/344468490.db2.gz RNTIGIXLWOXCMU-QMMMGPOBSA-N 0 0 181.239 1.125 10 0 ADAERN Nc1ccc(N2CC[C@@H](F)C2)nc1 224375458 344468507 /nfs/dbraw/zinc/46/85/07/344468507.db2.gz RFXQKNSNGRDYAD-SSDOTTSWSA-N 0 0 181.214 1.212 10 0 ADAERN Nc1ccc(N2CC[C@H](F)C2)nc1 224375412 344468511 /nfs/dbraw/zinc/46/85/11/344468511.db2.gz RFXQKNSNGRDYAD-ZETCQYMHSA-N 0 0 181.214 1.212 10 0 ADAERN CO[C@H](C)Cn1cc[nH]c1=S 224372339 344468516 /nfs/dbraw/zinc/46/85/16/344468516.db2.gz XJOSFTFKGXPXSM-ZCFIWIBFSA-N 0 0 172.253 1.207 10 0 ADAERN Cc1nn([C@@H]2CCCOC2)cc1N 224392372 344468553 /nfs/dbraw/zinc/46/85/53/344468553.db2.gz RNTIGIXLWOXCMU-MRVPVSSYSA-N 0 0 181.239 1.125 10 0 ADAERN CC1=CCC[C@@]1(C)CO 224382060 344468580 /nfs/dbraw/zinc/46/85/80/344468580.db2.gz SUWPOVXFDYDYBY-QMMMGPOBSA-N 0 0 126.199 1.725 10 0 ADAERN C/C=C\C(=O)N1CC=CCC1 224397906 344468660 /nfs/dbraw/zinc/46/86/60/344468660.db2.gz AJMIOKRYZMQSAN-KXFIGUGUSA-N 0 0 151.209 1.351 10 0 ADAERN CSCc1cc(N)nc(F)c1 224379453 344468662 /nfs/dbraw/zinc/46/86/62/344468662.db2.gz PRVUTIAUPVHCOH-UHFFFAOYSA-N 0 0 172.228 1.666 10 0 ADAERN CC1(CNc2cncc(N)n2)CC1 224429848 344468975 /nfs/dbraw/zinc/46/89/75/344468975.db2.gz FZFCLMPNIMVZQX-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN CC1(CNc2nccnc2N)CC1 224428422 344469045 /nfs/dbraw/zinc/46/90/45/344469045.db2.gz SNTPTBDMPWVFAV-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN COC[C@]1(O)CC[C@H](C)C[C@@H]1C 224465833 344469070 /nfs/dbraw/zinc/46/90/70/344469070.db2.gz IYNJGCRMGQBERF-LPEHRKFASA-N 0 0 172.268 1.820 10 0 ADAERN CC1(CNc2cccnn2)CC1 224425629 344469087 /nfs/dbraw/zinc/46/90/87/344469087.db2.gz VOHJWBBBYDWKHS-UHFFFAOYSA-N 0 0 163.224 1.689 10 0 ADAERN C=CC(=O)Nc1ccc(N)c(C)c1 224458122 344469181 /nfs/dbraw/zinc/46/91/81/344469181.db2.gz RXARWALVRZHWLC-UHFFFAOYSA-N 0 0 176.219 1.702 10 0 ADAERN Nc1cccc2c1ccn2C1COC1 224424616 344469194 /nfs/dbraw/zinc/46/91/94/344469194.db2.gz HOGVZRZVUFRDQR-UHFFFAOYSA-N 0 0 188.230 1.795 10 0 ADAERN Cc1cc(N)cc2nn(C)cc12 224415620 344469260 /nfs/dbraw/zinc/46/92/60/344469260.db2.gz UNKJDKSBXVSYKP-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN COC[C@]1(O)CC[C@@H](C)C[C@@H]1C 224465729 344469282 /nfs/dbraw/zinc/46/92/82/344469282.db2.gz IYNJGCRMGQBERF-KXUCPTDWSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc(N)n(C[C@@H]2CCSC2)n1 224485524 344469619 /nfs/dbraw/zinc/46/96/19/344469619.db2.gz FUOHKDYAUGXVMD-QMMMGPOBSA-N 0 0 197.307 1.527 10 0 ADAERN Cc1cnn(C[C@@H]2CCSC2)c1N 224485418 344469630 /nfs/dbraw/zinc/46/96/30/344469630.db2.gz GBQHTNXLOZWUCL-QMMMGPOBSA-N 0 0 197.307 1.527 10 0 ADAERN C[C@H]1C=C[C@@H]2CCC3(OCCO3)[C@H]12 224500129 344469726 /nfs/dbraw/zinc/46/97/26/344469726.db2.gz OXTOGKCINFFWND-IVZWLZJFSA-N 0 0 180.247 1.962 10 0 ADAERN CO[C@@H](C)Cn1cc(C)[nH]c1=S 224471312 344469743 /nfs/dbraw/zinc/46/97/43/344469743.db2.gz GIEOCTONTOVAGO-ZETCQYMHSA-N 0 0 186.280 1.515 10 0 ADAERN CNC(=O)c1cc(C(C)=O)ccc1C 224537053 344470172 /nfs/dbraw/zinc/47/01/72/344470172.db2.gz WWPLLRJOHFEXBB-UHFFFAOYSA-N 0 0 191.230 1.557 10 0 ADAERN COc1cc(C)cc(F)n1 224535527 344470280 /nfs/dbraw/zinc/47/02/80/344470280.db2.gz XYXYZWWRKONZLE-UHFFFAOYSA-N 0 0 141.145 1.538 10 0 ADAERN CC(F)(F)C(C)(C)C(N)=O 224541198 344470283 /nfs/dbraw/zinc/47/02/83/344470283.db2.gz NQAUBRLKXYKFFU-UHFFFAOYSA-N 0 0 151.156 1.153 10 0 ADAERN CC/C=C/C(=S)N(C)C 224505349 344470327 /nfs/dbraw/zinc/47/03/27/344470327.db2.gz CTDPAXPPEPZDFM-AATRIKPKSA-N 0 0 143.255 1.842 10 0 ADAERN CC(C)[C@]1(C)CCC(=O)NC1 226320341 344499015 /nfs/dbraw/zinc/49/90/15/344499015.db2.gz UNZPERYGIXAYFC-SECBINFHSA-N 0 0 155.241 1.559 10 0 ADAERN Cc1ncnc(NCC(C)(C)O)c1F 224504847 344470411 /nfs/dbraw/zinc/47/04/11/344470411.db2.gz CXQHEKJWWKCJRC-UHFFFAOYSA-N 0 0 199.229 1.107 10 0 ADAERN c1cc2nc(-c3cn[nH]c3)cnc2[nH]1 224512661 344470482 /nfs/dbraw/zinc/47/04/82/344470482.db2.gz LTFQPYDMHBLAGZ-UHFFFAOYSA-N 0 0 185.190 1.348 10 0 in-vitro ADAERN C#CCN(N=O)c1ccccc1 224557619 344470525 /nfs/dbraw/zinc/47/05/25/344470525.db2.gz MZYNDZYTPYLCMT-UHFFFAOYSA-N 0 0 160.176 1.808 10 0 ADAERN Cc1c(C2CC2)nc2ncccn12 224569907 344470740 /nfs/dbraw/zinc/47/07/40/344470740.db2.gz GYRKUBURXLKGLH-UHFFFAOYSA-N 0 0 173.219 1.915 10 0 ADAERN CO[C@H](C)Cn1c(C)nnc1Cl 224628573 344470791 /nfs/dbraw/zinc/47/07/91/344470791.db2.gz PRLDAGWHMNANPI-RXMQYKEDSA-N 0 0 189.646 1.275 10 0 ADAERN [NH3+]Cc1c(Cl)cccc1CO 224630703 344470795 /nfs/dbraw/zinc/47/07/95/344470795.db2.gz RJMISNVORNXHIZ-UHFFFAOYSA-N 0 0 171.627 1.291 10 0 ADAERN O=c1cccc(-c2ccccn2)o1 224603023 344470826 /nfs/dbraw/zinc/47/08/26/344470826.db2.gz OXOPAZZZMVOPPS-UHFFFAOYSA-N 0 0 173.171 1.702 10 0 ADAERN CCC(=O)Nc1ccc(F)nc1 224609427 344470904 /nfs/dbraw/zinc/47/09/04/344470904.db2.gz GYKUWXZALVDUKH-UHFFFAOYSA-N 0 0 168.171 1.569 10 0 ADAERN CC(C)Cc1nccc(F)n1 224629856 344470974 /nfs/dbraw/zinc/47/09/74/344470974.db2.gz HXSSJRXJZZOKFO-UHFFFAOYSA-N 0 0 154.188 1.814 10 0 ADAERN CCCC(N)=CC(=O)OC(C)(C)C 224627159 344470984 /nfs/dbraw/zinc/47/09/84/344470984.db2.gz KWIMTPSNHOJQHS-FPLPWBNLSA-N 0 0 185.267 1.971 10 0 ADAERN CCOC(=O)Nc1ccc(F)nc1 224608762 344471009 /nfs/dbraw/zinc/47/10/09/344471009.db2.gz HDONKMAKRSWREA-UHFFFAOYSA-N 0 0 184.170 1.789 10 0 ADAERN CO[C@@H](C)Cn1c(C)nnc1Cl 224628535 344471011 /nfs/dbraw/zinc/47/10/11/344471011.db2.gz PRLDAGWHMNANPI-YFKPBYRVSA-N 0 0 189.646 1.275 10 0 ADAERN O[C@@H]([C@@H]1CCSC1)C(F)(F)F 224641360 344471205 /nfs/dbraw/zinc/47/12/05/344471205.db2.gz WZPNQZDJNOBQOY-UHNVWZDZSA-N 0 0 186.198 1.663 10 0 ADAERN O[C@H]([C@@H]1CCSC1)C(F)(F)F 224641416 344471324 /nfs/dbraw/zinc/47/13/24/344471324.db2.gz WZPNQZDJNOBQOY-RFZPGFLSSA-N 0 0 186.198 1.663 10 0 ADAERN Fc1nsnc1Cl 224642940 344471361 /nfs/dbraw/zinc/47/13/61/344471361.db2.gz AHAQYVHPXUEQKY-UHFFFAOYSA-N 0 0 138.554 1.331 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H]([C@@H](F)C(=O)[O-])C1 224641835 344471431 /nfs/dbraw/zinc/47/14/31/344471431.db2.gz LRTVMGIABAOGBV-HTQZYQBOSA-N 0 0 189.230 1.139 10 0 ADAERN O[C@@H]([C@H]1CCSC1)C(F)(F)F 224641463 344471495 /nfs/dbraw/zinc/47/14/95/344471495.db2.gz WZPNQZDJNOBQOY-WHFBIAKZSA-N 0 0 186.198 1.663 10 0 ADAERN CC(C)[N@@H+]1CC[C@H]([C@@H](F)C(=O)[O-])C1 224641893 344471518 /nfs/dbraw/zinc/47/15/18/344471518.db2.gz LRTVMGIABAOGBV-JGVFFNPUSA-N 0 0 189.230 1.139 10 0 ADAERN C[N@@H+]1CCC[C@H]([C@@H](F)C(=O)[O-])CC1 224636553 344471543 /nfs/dbraw/zinc/47/15/43/344471543.db2.gz ORBGPAGCJYWVGS-JGVFFNPUSA-N 0 0 189.230 1.141 10 0 ADAERN O[C@H]([C@H]1CCSC1)C(F)(F)F 224641509 344471549 /nfs/dbraw/zinc/47/15/49/344471549.db2.gz WZPNQZDJNOBQOY-CRCLSJGQSA-N 0 0 186.198 1.663 10 0 ADAERN C[N@@H+]1CCC[C@@H]([C@@H](F)C(=O)[O-])CC1 224636512 344471568 /nfs/dbraw/zinc/47/15/68/344471568.db2.gz ORBGPAGCJYWVGS-HTQZYQBOSA-N 0 0 189.230 1.141 10 0 ADAERN Nc1scnc1[C@H]1CCSC1 224673496 344471905 /nfs/dbraw/zinc/47/19/05/344471905.db2.gz NGIPDWIYDSKEQX-YFKPBYRVSA-N 0 0 186.305 1.946 10 0 ADAERN Nc1scnc1[C@@H]1CCSC1 224673445 344472022 /nfs/dbraw/zinc/47/20/22/344472022.db2.gz NGIPDWIYDSKEQX-RXMQYKEDSA-N 0 0 186.305 1.946 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1CCC[C@@H](C)[C@@H]1C 224706370 344472312 /nfs/dbraw/zinc/47/23/12/344472312.db2.gz YJCNGNCXWKVZFR-UTLUCORTSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C)[C@@H]1C 224707059 344472430 /nfs/dbraw/zinc/47/24/30/344472430.db2.gz VPPDLRPPXBUHDF-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1[C@H](C)CCC[N@H+]1C[C@@H](C)C(=O)[O-] 224706826 344472436 /nfs/dbraw/zinc/47/24/36/344472436.db2.gz DFYREXUQCSFAOS-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C)[C@@H]1C 224705679 344472596 /nfs/dbraw/zinc/47/25/96/344472596.db2.gz SPLLXNVYWMSCFY-VGMNWLOBSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@H]1[C@H](C)CCC[N@H+]1[C@H](C)CC(=O)[O-] 224706411 344472777 /nfs/dbraw/zinc/47/27/77/344472777.db2.gz YJCNGNCXWKVZFR-BBBLOLIVSA-N 0 0 199.294 1.970 10 0 ADAERN CO[C@H](C)CNc1cncc(N)c1 224734471 344472956 /nfs/dbraw/zinc/47/29/56/344472956.db2.gz YYMGXKKLRHAOSI-SSDOTTSWSA-N 0 0 181.239 1.111 10 0 ADAERN CC(C)NC(=O)c1cc(O)ccc1O 224743553 344473012 /nfs/dbraw/zinc/47/30/12/344473012.db2.gz ICVYGFZJCKDHEN-UHFFFAOYSA-N 0 0 195.218 1.236 10 0 ADAERN CO[C@@H](C)CNc1cncc(N)c1 224734427 344473156 /nfs/dbraw/zinc/47/31/56/344473156.db2.gz YYMGXKKLRHAOSI-ZETCQYMHSA-N 0 0 181.239 1.111 10 0 ADAERN C[C@@H](CO)C[C@H]1CCCOC1 224823869 344473644 /nfs/dbraw/zinc/47/36/44/344473644.db2.gz PLDLAHBUBCRWFF-RKDXNWHRSA-N 0 0 158.241 1.432 10 0 ADAERN CCc1coc(-c2c[nH]nc2N)n1 224767676 344473278 /nfs/dbraw/zinc/47/32/78/344473278.db2.gz WKRZXGCQNJMUKB-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN Cc1cc(-c2ccoc2)nc(=O)[nH]1 224801540 344473368 /nfs/dbraw/zinc/47/33/68/344473368.db2.gz DRDMYJRUDLFWOS-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN CCc1cnc(-c2c[nH]nc2N)o1 224776734 344473442 /nfs/dbraw/zinc/47/34/42/344473442.db2.gz XUSRWSVWLXIKCO-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN Cc1nc(-c2ccoc2)cc(=O)[nH]1 224802047 344473464 /nfs/dbraw/zinc/47/34/64/344473464.db2.gz GUFSZOKWAXDXSA-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cc1nc(-c2ccco2)cc(=O)[nH]1 224801914 344473480 /nfs/dbraw/zinc/47/34/80/344473480.db2.gz MTVDJZKUYHHXHM-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cc1cc(-c2ccsc2)nc(=O)[nH]1 224801480 344473567 /nfs/dbraw/zinc/47/35/67/344473567.db2.gz PKAUITDYDRTBHO-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(-c2ccco2)nc(=O)[nH]1 224801425 344473649 /nfs/dbraw/zinc/47/36/49/344473649.db2.gz GJWFEZAMLYPOJA-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN CNC(=O)Nc1cccc2c1OCC2 224825160 344473708 /nfs/dbraw/zinc/47/37/08/344473708.db2.gz BGMJVQQKXYIJEU-UHFFFAOYSA-N 0 0 192.218 1.373 10 0 ADAERN Cc1nc(-c2cccs2)cc(=O)[nH]1 224801850 344473714 /nfs/dbraw/zinc/47/37/14/344473714.db2.gz GZKLXVNRLOWJIO-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CCc1cccc(CC(=O)NC)c1 224804934 344473753 /nfs/dbraw/zinc/47/37/53/344473753.db2.gz VLAOZDZNJOTPQS-UHFFFAOYSA-N 0 0 177.247 1.538 10 0 ADAERN 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ADAERN CC(C)NC(=O)NC(C)(C)C1CC1 225191507 344477852 /nfs/dbraw/zinc/47/78/52/344477852.db2.gz RZYDOBYPRHPYSY-UHFFFAOYSA-N 0 0 184.283 1.883 10 0 ADAERN CC(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 225176780 344477860 /nfs/dbraw/zinc/47/78/60/344477860.db2.gz IRSVBWDQOMRUIT-BKPPORCPSA-N 0 0 155.241 1.557 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H](C)[C@@H]1C 225176862 344477880 /nfs/dbraw/zinc/47/78/80/344477880.db2.gz IRSVBWDQOMRUIT-ACLDMZEESA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)C[C@@H]1NCN([C@H]2C[C@@H]2C)C1=O 225238349 344478466 /nfs/dbraw/zinc/47/84/66/344478466.db2.gz PGVXPTYXQFEQCU-GUBZILKMSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)C[C@@H]1NCN([C@@H]2C[C@@H]2C)C1=O 225238309 344478472 /nfs/dbraw/zinc/47/84/72/344478472.db2.gz PGVXPTYXQFEQCU-LPEHRKFASA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@@H](C)Nc1nccnc1N 225239267 344478550 /nfs/dbraw/zinc/47/85/50/344478550.db2.gz RBLAKPPTLRRILE-SSDOTTSWSA-N 0 0 180.255 1.515 10 0 ADAERN O=c1cc([O-])c2ccsc2[nH]1 225216973 344478569 /nfs/dbraw/zinc/47/85/69/344478569.db2.gz BYPSAMJYXBADDL-UHFFFAOYSA-N 0 0 167.189 1.273 10 0 ADAERN CCCN[S@](=O)C(C)(C)C 225230328 344478694 /nfs/dbraw/zinc/47/86/94/344478694.db2.gz SCDDZPIYMIUTKB-SNVBAGLBSA-N 0 0 163.286 1.448 10 0 ADAERN CC(C)[C@H](C)Nc1nccnc1N 225239305 344478698 /nfs/dbraw/zinc/47/86/98/344478698.db2.gz RBLAKPPTLRRILE-ZETCQYMHSA-N 0 0 180.255 1.515 10 0 ADAERN O[C@@H]1CCCC[C@@H]1[C@@H]1CCCOC1 225272459 344478843 /nfs/dbraw/zinc/47/88/43/344478843.db2.gz RZMLVRUFQAOUDW-GMTAPVOTSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1oncc1-c1c[nH]c(=NN)s1 225258422 344478952 /nfs/dbraw/zinc/47/89/52/344478952.db2.gz KFMJUKMQZXYNPH-UHFFFAOYSA-N 0 0 196.235 1.392 10 0 ADAERN CC[C@H](O)C[C@H]1CCCOC1 225272242 344478962 /nfs/dbraw/zinc/47/89/62/344478962.db2.gz ZMKDKQWUNBYRJY-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN O[C@@H](C[C@@H]1CCCOC1)C1CC1 225274671 344479007 /nfs/dbraw/zinc/47/90/07/344479007.db2.gz DYOVUHXGUOMDSA-WPRPVWTQSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1oncc1-c1cnc(N)s1 225253149 344479011 /nfs/dbraw/zinc/47/90/11/344479011.db2.gz PFLGOQOSRKPVQR-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN O[C@H](C[C@@H]1CCCOC1)C1CC1 225274705 344479031 /nfs/dbraw/zinc/47/90/31/344479031.db2.gz DYOVUHXGUOMDSA-WCBMZHEXSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@H](C[C@H]1CCCOC1)C1CC1 225274770 344479078 /nfs/dbraw/zinc/47/90/78/344479078.db2.gz DYOVUHXGUOMDSA-PSASIEDQSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1oncc1-c1cnc(C=O)s1 225258525 344479086 /nfs/dbraw/zinc/47/90/86/344479086.db2.gz OJGRROMEFJOKKA-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN O[C@@H]1CCCC[C@H]1[C@@H]1CCCOC1 225272532 344479105 /nfs/dbraw/zinc/47/91/05/344479105.db2.gz RZMLVRUFQAOUDW-OUAUKWLOSA-N 0 0 184.279 1.964 10 0 ADAERN O[C@@H](C[C@H]1CCCOC1)C1CC1 225274738 344479115 /nfs/dbraw/zinc/47/91/15/344479115.db2.gz DYOVUHXGUOMDSA-SCZZXKLOSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1oncc1-c1c[nH]c(=O)s1 225258190 344479118 /nfs/dbraw/zinc/47/91/18/344479118.db2.gz FRGRWGCAOKOGAC-UHFFFAOYSA-N 0 0 182.204 1.400 10 0 ADAERN CC[C@@H](O)C[C@H]1CCCOC1 225272202 344479119 /nfs/dbraw/zinc/47/91/19/344479119.db2.gz ZMKDKQWUNBYRJY-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CC[C@H](O)C[C@@H]1CCCOC1 225272158 344479142 /nfs/dbraw/zinc/47/91/42/344479142.db2.gz ZMKDKQWUNBYRJY-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CC[C@@H](O)C[C@@H]1CCCOC1 225272119 344479189 /nfs/dbraw/zinc/47/91/89/344479189.db2.gz ZMKDKQWUNBYRJY-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN NC(=O)N1C2CCCC1CCC2 225254191 344479200 /nfs/dbraw/zinc/47/92/00/344479200.db2.gz BLGRSXKKXILBKD-UHFFFAOYSA-N 0 0 168.240 1.472 10 0 ADAERN O=Cc1cnn([C@H]2CCCOC2)c1 225291412 344479335 /nfs/dbraw/zinc/47/93/35/344479335.db2.gz NPOAZWOWBDPBPV-VIFPVBQESA-N 0 0 180.207 1.047 10 0 ADAERN CCc1ccc(CNC#N)s1 225278979 344479437 /nfs/dbraw/zinc/47/94/37/344479437.db2.gz SZTMBOVCXCZYEN-UHFFFAOYSA-N 0 0 166.249 1.881 10 0 ADAERN O=Cc1cnn([C@@H]2CCCOC2)c1 225291375 344479448 /nfs/dbraw/zinc/47/94/48/344479448.db2.gz NPOAZWOWBDPBPV-SECBINFHSA-N 0 0 180.207 1.047 10 0 ADAERN OCC[C@H]1COc2cc(O)ccc21 225295565 344479584 /nfs/dbraw/zinc/47/95/84/344479584.db2.gz KVGUUMAQEVNSLR-ZETCQYMHSA-N 0 0 180.203 1.251 10 0 ADAERN OCC[C@@H]1COc2cc(O)ccc21 225295597 344479687 /nfs/dbraw/zinc/47/96/87/344479687.db2.gz KVGUUMAQEVNSLR-SSDOTTSWSA-N 0 0 180.203 1.251 10 0 ADAERN Nc1ncccc1[C@@H]1CCCOC1 225307920 344479943 /nfs/dbraw/zinc/47/99/43/344479943.db2.gz IKIDNLHUBCNWIJ-MRVPVSSYSA-N 0 0 178.235 1.558 10 0 ADAERN CC(C)[C@@H](C)CN1C(=O)[C@H](C)N[C@@H]1C 225345571 344479951 /nfs/dbraw/zinc/47/99/51/344479951.db2.gz OJSMANRZIKOUOO-GUBZILKMSA-N 0 0 198.310 1.445 10 0 ADAERN CCCCCCC1(C)NN1 225319290 344480036 /nfs/dbraw/zinc/48/00/36/344480036.db2.gz RPUKWCABKVSHRA-UHFFFAOYSA-N 0 0 142.246 1.781 10 0 ADAERN Nc1ncccc1[C@H]1CCCOC1 225307947 344480121 /nfs/dbraw/zinc/48/01/21/344480121.db2.gz IKIDNLHUBCNWIJ-QMMMGPOBSA-N 0 0 178.235 1.558 10 0 ADAERN Cc1ccccc1-c1n[nH]c(=O)s1 225369234 344480372 /nfs/dbraw/zinc/48/03/72/344480372.db2.gz RKPLUHQBGWAYLC-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN O=C1NCCCC[C@H]1[C@@H]1CCCOC1 225391551 344480501 /nfs/dbraw/zinc/48/05/01/344480501.db2.gz BXZQOAJPAMACIO-ZJUUUORDSA-N 0 0 197.278 1.329 10 0 ADAERN O=C1NCCCC[C@H]1[C@H]1CCCOC1 225391629 344480552 /nfs/dbraw/zinc/48/05/52/344480552.db2.gz BXZQOAJPAMACIO-UWVGGRQHSA-N 0 0 197.278 1.329 10 0 ADAERN O=C1NCCCC[C@@H]1[C@@H]1CCCOC1 225391516 344480575 /nfs/dbraw/zinc/48/05/75/344480575.db2.gz BXZQOAJPAMACIO-NXEZZACHSA-N 0 0 197.278 1.329 10 0 ADAERN O=c1[nH]nc(-c2cccs2)s1 225369765 344480578 /nfs/dbraw/zinc/48/05/78/344480578.db2.gz GDGJHGXMLXAWRB-UHFFFAOYSA-N 0 0 184.245 1.560 10 0 ADAERN O=C1NCCCC[C@@H]1[C@H]1CCCOC1 225391588 344480630 /nfs/dbraw/zinc/48/06/30/344480630.db2.gz BXZQOAJPAMACIO-VHSXEESVSA-N 0 0 197.278 1.329 10 0 ADAERN CCNC(=S)N[C@@H]1C[C@@H]1CC 227001757 344518733 /nfs/dbraw/zinc/51/87/33/344518733.db2.gz QUVINZAVDWREEZ-NKWVEPMBSA-N 0 0 172.297 1.269 10 0 ADAERN CCC[C@@H](O)[C@@H](CCC)OC(C)=O 225422089 344480837 /nfs/dbraw/zinc/48/08/37/344480837.db2.gz QSSYGKHCGOLUDN-NXEZZACHSA-N 0 0 188.267 1.879 10 0 ADAERN CCNC(=O)c1cnc(C)s1 225438834 344480880 /nfs/dbraw/zinc/48/08/80/344480880.db2.gz FMHYALPPAGNPLX-UHFFFAOYSA-N 0 0 170.237 1.201 10 0 ADAERN OCCc1cnccc1C(F)(F)F 225411807 344481205 /nfs/dbraw/zinc/48/12/05/344481205.db2.gz KOEKAAMJCOTRAX-UHFFFAOYSA-N 0 0 191.152 1.635 10 0 ADAERN COC[C@@H](O)CN(C)c1ccccc1 225471154 344481559 /nfs/dbraw/zinc/48/15/59/344481559.db2.gz QUOTVOXSTAKUOB-NSHDSACASA-N 0 0 195.262 1.130 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H](O)C2CC2)O1 227078387 344521405 /nfs/dbraw/zinc/52/14/05/344521405.db2.gz TWJJCWKMBPORNI-YEPSODPASA-N 0 0 156.225 1.325 10 0 ADAERN C[C@H]1CCN(S(C)(=O)=O)[C@@H](C)C1 227145580 344523437 /nfs/dbraw/zinc/52/34/37/344523437.db2.gz VYAALENYUGGOTM-YUMQZZPRSA-N 0 0 191.296 1.066 10 0 ADAERN CC[C@H](N)c1nc([C@@H]2CC2(C)C)no1 225472777 344482242 /nfs/dbraw/zinc/48/22/42/344482242.db2.gz UVHWEJZQNKUOQR-BQBZGAKWSA-N 0 0 195.266 1.993 10 0 ADAERN CC[C@H](N)c1nc([C@H]2CC2(C)C)no1 225472812 344482294 /nfs/dbraw/zinc/48/22/94/344482294.db2.gz UVHWEJZQNKUOQR-RQJHMYQMSA-N 0 0 195.266 1.993 10 0 ADAERN C[C@@H](N)c1nc([C@@H]2CC2(C)C)no1 225477323 344482364 /nfs/dbraw/zinc/48/23/64/344482364.db2.gz SBJFSYLOBZIABZ-RITPCOANSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@H](N)c1nc([C@@H]2CC2(C)C)no1 225473010 344482498 /nfs/dbraw/zinc/48/24/98/344482498.db2.gz SBJFSYLOBZIABZ-WDSKDSINSA-N 0 0 181.239 1.603 10 0 ADAERN C[C@@H](N)c1nc([C@H]2CC2(C)C)no1 225477364 344482565 /nfs/dbraw/zinc/48/25/65/344482565.db2.gz SBJFSYLOBZIABZ-PHDIDXHHSA-N 0 0 181.239 1.603 10 0 ADAERN C/C=C\NC(=O)C(C)(C)C 225538428 344482828 /nfs/dbraw/zinc/48/28/28/344482828.db2.gz URAAXPJKLGRLJC-WAYWQWQTSA-N 0 0 141.214 1.682 10 0 ADAERN CN(C(=O)C1CCC1)c1cnccn1 225553616 344482904 /nfs/dbraw/zinc/48/29/04/344482904.db2.gz MFIHSOGFJMPROR-UHFFFAOYSA-N 0 0 191.234 1.240 10 0 ADAERN CNC(=O)NOCc1ccc(F)cc1 225581536 344483344 /nfs/dbraw/zinc/48/33/44/344483344.db2.gz CPEOHQFFQXLUJG-UHFFFAOYSA-N 0 0 198.197 1.186 10 0 ADAERN NC(=O)c1ccnc(-c2cccnc2)c1 225571950 344483639 /nfs/dbraw/zinc/48/36/39/344483639.db2.gz YSUBJTMXFFEPOB-UHFFFAOYSA-N 0 0 199.213 1.243 10 0 ADAERN CC(C)(C)CCNc1nccnc1N 225637980 344483784 /nfs/dbraw/zinc/48/37/84/344483784.db2.gz HDWPWVGTBAGWCZ-UHFFFAOYSA-N 0 0 194.282 1.907 10 0 ADAERN O=C(N[C@H]1CCCC[C@H]1CO)C1CC1 225662625 344483794 /nfs/dbraw/zinc/48/37/94/344483794.db2.gz FYTJMSKNAMBVGY-UWVGGRQHSA-N 0 0 197.278 1.064 10 0 ADAERN O=C(N[C@@H]1CCCC[C@@H]1CO)C1CC1 225662537 344483814 /nfs/dbraw/zinc/48/38/14/344483814.db2.gz FYTJMSKNAMBVGY-NXEZZACHSA-N 0 0 197.278 1.064 10 0 ADAERN CC1(C)C[C@@H]1Nc1nccnc1N 225641095 344483822 /nfs/dbraw/zinc/48/38/22/344483822.db2.gz MDKIYCAUKDSGRP-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN CCC(=O)N[C@H]1CCCC[C@H]1CO 225652514 344483846 /nfs/dbraw/zinc/48/38/46/344483846.db2.gz UMUCGAHNGZJXII-IUCAKERBSA-N 0 0 185.267 1.064 10 0 ADAERN O=C(N[C@H]1CCCC[C@@H]1CO)C1CC1 225662565 344483878 /nfs/dbraw/zinc/48/38/78/344483878.db2.gz FYTJMSKNAMBVGY-ZJUUUORDSA-N 0 0 197.278 1.064 10 0 ADAERN CC(C)C(=O)N[C@H]1CCCC[C@@H]1CO 225643467 344483881 /nfs/dbraw/zinc/48/38/81/344483881.db2.gz IYJDCOQIAXDOPU-ZJUUUORDSA-N 0 0 199.294 1.310 10 0 ADAERN Nc1nccnc1NCC1CCC1 225637759 344483921 /nfs/dbraw/zinc/48/39/21/344483921.db2.gz NJGJYEFFMBVFEV-UHFFFAOYSA-N 0 0 178.239 1.271 10 0 ADAERN CC(C)CNc1nccnc1N 225629355 344483925 /nfs/dbraw/zinc/48/39/25/344483925.db2.gz CQOMAVPPPRKIRX-UHFFFAOYSA-N 0 0 166.228 1.127 10 0 ADAERN CC(C)C(=O)N[C@H]1CCCC[C@H]1CO 225643520 344483927 /nfs/dbraw/zinc/48/39/27/344483927.db2.gz IYJDCOQIAXDOPU-UWVGGRQHSA-N 0 0 199.294 1.310 10 0 ADAERN OC1(C(F)(F)Br)CC1 225673068 344483936 /nfs/dbraw/zinc/48/39/36/344483936.db2.gz ZULDESBTIHOCFN-UHFFFAOYSA-N 0 0 186.983 1.499 10 0 ADAERN CC(C)C(=O)N[C@@H]1CCCC[C@H]1CO 225643490 344483938 /nfs/dbraw/zinc/48/39/38/344483938.db2.gz IYJDCOQIAXDOPU-VHSXEESVSA-N 0 0 199.294 1.310 10 0 ADAERN Cc1nc(CNC(C)(C)C)no1 225665391 344483941 /nfs/dbraw/zinc/48/39/41/344483941.db2.gz HCWKNRGUESPHJO-UHFFFAOYSA-N 0 0 169.228 1.266 10 0 ADAERN O=C(N[C@@H]1CCCC[C@H]1CO)C1CC1 225662595 344484011 /nfs/dbraw/zinc/48/40/11/344484011.db2.gz FYTJMSKNAMBVGY-VHSXEESVSA-N 0 0 197.278 1.064 10 0 ADAERN CCCc1nccnc1F 225638349 344484046 /nfs/dbraw/zinc/48/40/46/344484046.db2.gz GMVYNIOOLTWRLG-UHFFFAOYSA-N 0 0 140.161 1.568 10 0 ADAERN CC1(C)C[C@H]1Nc1nccnc1N 225641122 344484072 /nfs/dbraw/zinc/48/40/72/344484072.db2.gz MDKIYCAUKDSGRP-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN Nc1nccnc1NC1CCCC1 225629575 344484120 /nfs/dbraw/zinc/48/41/20/344484120.db2.gz LHYKQPDVGFOXAD-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN O=C(NCCC1CC1)c1cccnn1 225671601 344484132 /nfs/dbraw/zinc/48/41/32/344484132.db2.gz VLZCVHVPEIAQIC-UHFFFAOYSA-N 0 0 191.234 1.007 10 0 ADAERN CC(C)(C)CNc1nccnc1N 225641767 344484139 /nfs/dbraw/zinc/48/41/39/344484139.db2.gz ZRUNXNBCOWKSJD-UHFFFAOYSA-N 0 0 180.255 1.517 10 0 ADAERN C[C@H]1C[C@H](C)CC[N@H+]1[C@@H](C)C(=O)[O-] 225734467 344485334 /nfs/dbraw/zinc/48/53/34/344485334.db2.gz YZZJZSONDHHPAY-VGMNWLOBSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@H]1C[C@H](C)CC[N@H+]1[C@H](C)C(=O)[O-] 225734491 344485414 /nfs/dbraw/zinc/48/54/14/344485414.db2.gz YZZJZSONDHHPAY-HRDYMLBCSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@@H](C[N@@H+]1CC[C@@H](C)C[C@@H]1C)C(=O)[O-] 225736195 344485416 /nfs/dbraw/zinc/48/54/16/344485416.db2.gz CPIOLWCURLESGA-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)[O-] 225734394 344485426 /nfs/dbraw/zinc/48/54/26/344485426.db2.gz FJHWBDSQJRKHRQ-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@H]1CC[N@H+](CC(=O)[O-])[C@@H](C)C1 225734425 344485439 /nfs/dbraw/zinc/48/54/39/344485439.db2.gz FJHWBDSQJRKHRQ-YUMQZZPRSA-N 0 0 171.240 1.191 10 0 ADAERN CCCn1ccc(Cl)n1 225742679 344485668 /nfs/dbraw/zinc/48/56/68/344485668.db2.gz HMCJFTCNOZKIQS-UHFFFAOYSA-N 0 0 144.605 1.947 10 0 ADAERN CN(CC(F)(F)F)[C@@H]1CC[C@@H](O)C1 225743466 344485864 /nfs/dbraw/zinc/48/58/64/344485864.db2.gz OSPYDTBQHAIUQT-RNFRBKRXSA-N 0 0 197.200 1.394 10 0 ADAERN CC(C)N1C(=O)CCSC1=S 225745842 344485914 /nfs/dbraw/zinc/48/59/14/344485914.db2.gz OCXSHRCYAATPDE-UHFFFAOYSA-N 0 0 189.305 1.645 10 0 ADAERN CN(CC(F)(F)F)[C@H]1CC[C@@H](O)C1 225743491 344486009 /nfs/dbraw/zinc/48/60/09/344486009.db2.gz OSPYDTBQHAIUQT-NKWVEPMBSA-N 0 0 197.200 1.394 10 0 ADAERN C[C@H](O[C@@H]1CC[C@@H](O)C1)C(F)(F)F 225758122 344486397 /nfs/dbraw/zinc/48/63/97/344486397.db2.gz XGPNAILIPGUWQZ-RRKCRQDMSA-N 0 0 198.184 1.867 10 0 ADAERN C[C@H](O[C@H]1CC[C@@H](O)C1)C(F)(F)F 225758158 344486425 /nfs/dbraw/zinc/48/64/25/344486425.db2.gz XGPNAILIPGUWQZ-XVMARJQXSA-N 0 0 198.184 1.867 10 0 ADAERN Nc1ncc(C[NH+]2CCCCC2)cn1 225793347 344486933 /nfs/dbraw/zinc/48/69/33/344486933.db2.gz ZPBWNHPKXGJFKU-UHFFFAOYSA-N 0 0 192.266 1.045 10 0 ADAERN CNC(=S)N[C@@H]1CC[C@H](C)[C@@H]1C 225788567 344486963 /nfs/dbraw/zinc/48/69/63/344486963.db2.gz YVQOEPAMBUPZOP-BIIVOSGPSA-N 0 0 186.324 1.515 10 0 ADAERN CNC(=S)N[C@@H]1CC[C@@H](C)[C@@H]1C 225788516 344487206 /nfs/dbraw/zinc/48/72/06/344487206.db2.gz YVQOEPAMBUPZOP-GJMOJQLCSA-N 0 0 186.324 1.515 10 0 ADAERN O=C1CNC(=O)N1CCC1CCCC1 225797995 344487542 /nfs/dbraw/zinc/48/75/42/344487542.db2.gz KCGSDCPODQEPBV-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN CCCCCSC[C@@H](O)COC 225799189 344487717 /nfs/dbraw/zinc/48/77/17/344487717.db2.gz NBLNQUSIOQETJU-VIFPVBQESA-N 0 0 192.324 1.917 10 0 ADAERN CCCCCSC[C@H](O)COC 225799200 344487747 /nfs/dbraw/zinc/48/77/47/344487747.db2.gz NBLNQUSIOQETJU-SECBINFHSA-N 0 0 192.324 1.917 10 0 ADAERN CC1(CNc2nncs2)CC1 225818738 344488046 /nfs/dbraw/zinc/48/80/46/344488046.db2.gz MFVJLKKCMWOGNP-UHFFFAOYSA-N 0 0 169.253 1.750 10 0 ADAERN Cc1noc(NCC2(C)CC2)n1 225818875 344488176 /nfs/dbraw/zinc/48/81/76/344488176.db2.gz QBWHEKNDOLODBR-UHFFFAOYSA-N 0 0 167.212 1.590 10 0 ADAERN Cc1cnc(CNc2ncns2)o1 225817595 344488391 /nfs/dbraw/zinc/48/83/91/344488391.db2.gz PFWFLWVYHBIMOC-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN CCOC(=O)C(C)(C)n1cccn1 225805219 344488502 /nfs/dbraw/zinc/48/85/02/344488502.db2.gz PIRQETFVGIRWKV-UHFFFAOYSA-N 0 0 182.223 1.181 10 0 ADAERN OC1CCC(Nc2cn[nH]c2)CC1 225874295 344488907 /nfs/dbraw/zinc/48/89/07/344488907.db2.gz GUSPPHPKASZMEO-UHFFFAOYSA-N 0 0 181.239 1.125 10 0 ADAERN O=CNc1cc(Cl)ccn1 225883449 344488947 /nfs/dbraw/zinc/48/89/47/344488947.db2.gz VQPWYVLUAHVNBV-UHFFFAOYSA-N 0 0 156.572 1.303 10 0 ADAERN CC(C)(C)c1ccoc(=O)c1 225878517 344489044 /nfs/dbraw/zinc/48/90/44/344489044.db2.gz MTRBSAWKJXBOLZ-UHFFFAOYSA-N 0 0 152.193 1.937 10 0 ADAERN COC(=O)Cc1ccc(O)c(C)c1C 225907126 344489477 /nfs/dbraw/zinc/48/94/77/344489477.db2.gz OULYRYVDXKHYAH-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN COc1ncccc1N(C)C(C)=O 225927586 344489492 /nfs/dbraw/zinc/48/94/92/344489492.db2.gz TYLATZJHDQHIBO-UHFFFAOYSA-N 0 0 180.207 1.073 10 0 ADAERN COc1cncc(Cl)c1F 225939369 344489557 /nfs/dbraw/zinc/48/95/57/344489557.db2.gz ZAWZHXVXMCCCEB-UHFFFAOYSA-N 0 0 161.563 1.883 10 0 ADAERN O=C(CC1CC1)c1cn[nH]c1 225947199 344489659 /nfs/dbraw/zinc/48/96/59/344489659.db2.gz CYCOMFAXYCYVSI-UHFFFAOYSA-N 0 0 150.181 1.393 10 0 ADAERN CCC(=O)Nc1nccnc1Cl 226020466 344490237 /nfs/dbraw/zinc/49/02/37/344490237.db2.gz JKYGALIHEXAOHP-UHFFFAOYSA-N 0 0 185.614 1.479 10 0 ADAERN CC(C)C(=O)Nc1nccnc1Cl 226020282 344490293 /nfs/dbraw/zinc/49/02/93/344490293.db2.gz KLCWGLTVTRXSBO-UHFFFAOYSA-N 0 0 199.641 1.725 10 0 ADAERN CCCC(=O)Nc1nccnc1Cl 226020171 344490323 /nfs/dbraw/zinc/49/03/23/344490323.db2.gz VZYOHEFDYFSEGI-UHFFFAOYSA-N 0 0 199.641 1.869 10 0 ADAERN CN(C)N[C@H]1COCc2ccccc21 226007570 344490388 /nfs/dbraw/zinc/49/03/88/344490388.db2.gz VORRGWJTOWISQE-NSHDSACASA-N 0 0 192.262 1.324 10 0 ADAERN O=C(Nc1nccnc1Cl)C1CC1 226021811 344490421 /nfs/dbraw/zinc/49/04/21/344490421.db2.gz IZZQODUNTBFCFS-UHFFFAOYSA-N 0 0 197.625 1.479 10 0 ADAERN CN(C)N[C@@H]1COCc2ccccc21 226007555 344490433 /nfs/dbraw/zinc/49/04/33/344490433.db2.gz VORRGWJTOWISQE-LLVKDONJSA-N 0 0 192.262 1.324 10 0 ADAERN N[C@]1(C(F)F)COCc2ccccc21 226028272 344490740 /nfs/dbraw/zinc/49/07/40/344490740.db2.gz ZPOQBFBCSQHSEW-SNVBAGLBSA-N 0 0 199.200 1.636 10 0 ADAERN N[C@@]1(C(F)F)COCc2ccccc21 226028262 344490883 /nfs/dbraw/zinc/49/08/83/344490883.db2.gz ZPOQBFBCSQHSEW-JTQLQIEISA-N 0 0 199.200 1.636 10 0 ADAERN CCN(CC1CC1)C(=O)C(C)(C)OC 226058912 344491375 /nfs/dbraw/zinc/49/13/75/344491375.db2.gz FEUQBWZBUIHCCM-UHFFFAOYSA-N 0 0 199.294 1.670 10 0 ADAERN C[C@H](C1CCCC1)N1C(=O)CNC1=O 226050042 344491428 /nfs/dbraw/zinc/49/14/28/344491428.db2.gz FPQZCIQREVNQQB-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN CC[C@H](C)[C@H]1CC[C@@H](C(=O)[O-])[NH2+]1 226074111 344491830 /nfs/dbraw/zinc/49/18/30/344491830.db2.gz SCYSGUMSXSFGPQ-RNJXMRFFSA-N 0 0 171.240 1.238 10 0 ADAERN C[C@@H](C1CCCC1)N1C(=O)CNC1=O 226050036 344491445 /nfs/dbraw/zinc/49/14/45/344491445.db2.gz FPQZCIQREVNQQB-ZETCQYMHSA-N 0 0 196.250 1.117 10 0 ADAERN O=C1CNC(=O)N1CCC1=CCCC1 226053250 344491595 /nfs/dbraw/zinc/49/15/95/344491595.db2.gz YCLSGPMVUZSNEL-UHFFFAOYSA-N 0 0 194.234 1.039 10 0 ADAERN CC[C@H](C)[C@H]1CCC[C@@H](C(=O)[O-])[NH2+]1 226068954 344491749 /nfs/dbraw/zinc/49/17/49/344491749.db2.gz JGLFAIZZQXTBCA-YIZRAAEISA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@H](C)[C@@H]1CCC[C@@H](C(=O)[O-])[NH2+]1 226068933 344491851 /nfs/dbraw/zinc/49/18/51/344491851.db2.gz JGLFAIZZQXTBCA-CIUDSAMLSA-N 0 0 185.267 1.628 10 0 ADAERN CC[C@H](C)[C@@H]1CC[C@@H](C(=O)[O-])[NH2+]1 226074092 344491942 /nfs/dbraw/zinc/49/19/42/344491942.db2.gz SCYSGUMSXSFGPQ-FXQIFTODSA-N 0 0 171.240 1.238 10 0 ADAERN CC1(C)C[C@@H]1C(=O)N1CCCO1 226096863 344492267 /nfs/dbraw/zinc/49/22/67/344492267.db2.gz XTVQSYCRULNRCU-SSDOTTSWSA-N 0 0 169.224 1.196 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N1CCCO1 226096901 344492318 /nfs/dbraw/zinc/49/23/18/344492318.db2.gz NTVZSFHYDAIRQY-IUCAKERBSA-N 0 0 183.251 1.587 10 0 ADAERN Cc1ncc(C(=O)N2CCCO2)s1 226096732 344492358 /nfs/dbraw/zinc/49/23/58/344492358.db2.gz UYCBXLGHYWBLRW-UHFFFAOYSA-N 0 0 198.247 1.229 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCO1 226096891 344492576 /nfs/dbraw/zinc/49/25/76/344492576.db2.gz NTVZSFHYDAIRQY-BDAKNGLRSA-N 0 0 183.251 1.587 10 0 ADAERN O=C1CSC(N2CCCCC2)=N1 226097909 344492633 /nfs/dbraw/zinc/49/26/33/344492633.db2.gz XEHVYCJBMFRRPP-UHFFFAOYSA-N 0 0 184.264 1.839 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N1CCCO1 226096920 344492746 /nfs/dbraw/zinc/49/27/46/344492746.db2.gz NTVZSFHYDAIRQY-DTWKUNHWSA-N 0 0 183.251 1.587 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1C[C@@H](C)[N@H+](C)C1 226157918 344493044 /nfs/dbraw/zinc/49/30/44/344493044.db2.gz ZJSMMHVGBKXYDD-GJMOJQLCSA-N 0 0 171.240 1.047 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1C[C@@H](C)[N@H+](C)C1 226157929 344493049 /nfs/dbraw/zinc/49/30/49/344493049.db2.gz ZJSMMHVGBKXYDD-CSMHCCOUSA-N 0 0 171.240 1.047 10 0 ADAERN CCCOCC(=O)N1C[C@H](C)C[C@@H]1C 226138627 344493134 /nfs/dbraw/zinc/49/31/34/344493134.db2.gz ATTANNRNHIQBBR-ZJUUUORDSA-N 0 0 199.294 1.670 10 0 ADAERN Cc1nnc(NCC2(C)COC2)s1 226144811 344493168 /nfs/dbraw/zinc/49/31/68/344493168.db2.gz IRQGMFZOLKGNHR-UHFFFAOYSA-N 0 0 199.279 1.295 10 0 ADAERN CCCOCC(=O)N1C[C@H](C)C[C@H]1C 226138645 344493257 /nfs/dbraw/zinc/49/32/57/344493257.db2.gz ATTANNRNHIQBBR-NXEZZACHSA-N 0 0 199.294 1.670 10 0 ADAERN CCCOCC(=O)N1C[C@@H](C)C[C@H]1C 226138637 344493273 /nfs/dbraw/zinc/49/32/73/344493273.db2.gz ATTANNRNHIQBBR-VHSXEESVSA-N 0 0 199.294 1.670 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@H]1NC(N)=S 226184647 344493773 /nfs/dbraw/zinc/49/37/73/344493773.db2.gz VYYXQLFXVBRSTM-GJMOJQLCSA-N 0 0 186.324 1.644 10 0 ADAERN CNc1cccc(C2OCCO2)c1 226171882 344493775 /nfs/dbraw/zinc/49/37/75/344493775.db2.gz RRWWZHOEOLVECZ-UHFFFAOYSA-N 0 0 179.219 1.774 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1NC#N 226181278 344493792 /nfs/dbraw/zinc/49/37/92/344493792.db2.gz ITFDIIMKHDRISS-VGMNWLOBSA-N 0 0 152.241 1.882 10 0 ADAERN Nc1cc(-c2ncc[nH]2)ccn1 226169516 344493816 /nfs/dbraw/zinc/49/38/16/344493816.db2.gz UASKRQWUZFZSMA-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@H]1NC#N 226181266 344493844 /nfs/dbraw/zinc/49/38/44/344493844.db2.gz ITFDIIMKHDRISS-HRDYMLBCSA-N 0 0 152.241 1.882 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1NC(N)=S 226184661 344493870 /nfs/dbraw/zinc/49/38/70/344493870.db2.gz VYYXQLFXVBRSTM-CSMHCCOUSA-N 0 0 186.324 1.644 10 0 ADAERN Nc1ccc(O)cc1-c1ncc[nH]1 226192909 344494185 /nfs/dbraw/zinc/49/41/85/344494185.db2.gz HNGROTRMOUYMLV-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN CSCCC(=O)Nc1cncnc1 226185604 344494198 /nfs/dbraw/zinc/49/41/98/344494198.db2.gz RHIOPSJWXZZZRF-UHFFFAOYSA-N 0 0 197.263 1.168 10 0 ADAERN CNC(=O)c1ccc(O)cc1C 226190688 344494428 /nfs/dbraw/zinc/49/44/28/344494428.db2.gz GTAUBIXIRISIEG-UHFFFAOYSA-N 0 0 165.192 1.060 10 0 ADAERN COC(=O)[C@@H](C)Cc1ccco1 226202541 344494536 /nfs/dbraw/zinc/49/45/36/344494536.db2.gz QSQIDDAHVANEJV-ZETCQYMHSA-N 0 0 168.192 1.631 10 0 ADAERN COC(=O)[C@H](C)Cc1ccco1 226202550 344494593 /nfs/dbraw/zinc/49/45/93/344494593.db2.gz QSQIDDAHVANEJV-SSDOTTSWSA-N 0 0 168.192 1.631 10 0 ADAERN CNc1ccc(C2OCCO2)cc1 226195805 344494646 /nfs/dbraw/zinc/49/46/46/344494646.db2.gz JMPPIXVIAQDLPU-UHFFFAOYSA-N 0 0 179.219 1.774 10 0 ADAERN O=C1CC[C@H](c2cccc(O)c2)O1 226207132 344494971 /nfs/dbraw/zinc/49/49/71/344494971.db2.gz HCDKDYFUDBFKOZ-SECBINFHSA-N 0 0 178.187 1.770 10 0 ADAERN O=C1CC[C@@H](c2cccc(O)c2)O1 226207123 344495097 /nfs/dbraw/zinc/49/50/97/344495097.db2.gz HCDKDYFUDBFKOZ-VIFPVBQESA-N 0 0 178.187 1.770 10 0 ADAERN COC(C)(C)C(=O)NC[C@H]1CC1(C)C 226227385 344495448 /nfs/dbraw/zinc/49/54/48/344495448.db2.gz RQZOORKHVQFMPS-MRVPVSSYSA-N 0 0 199.294 1.574 10 0 ADAERN CCCOCC(=O)Nc1cnoc1 226229318 344495473 /nfs/dbraw/zinc/49/54/73/344495473.db2.gz XTGLGRRBEWKYFT-UHFFFAOYSA-N 0 0 184.195 1.040 10 0 ADAERN COC(C)(C)C(=O)NC[C@@H]1CC1(C)C 226227373 344495593 /nfs/dbraw/zinc/49/55/93/344495593.db2.gz RQZOORKHVQFMPS-QMMMGPOBSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1nc(CCNC#N)cs1 226244403 344496001 /nfs/dbraw/zinc/49/60/01/344496001.db2.gz QCUJDOLDYIGKMU-UHFFFAOYSA-N 0 0 167.237 1.065 10 0 ADAERN Cc1noc(C2CC(F)(F)C2)n1 226238299 344496011 /nfs/dbraw/zinc/49/60/11/344496011.db2.gz FIFWXQMHJNEMSU-UHFFFAOYSA-N 0 0 174.150 1.891 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@H]1NC=O 226241213 344496037 /nfs/dbraw/zinc/49/60/37/344496037.db2.gz OBCXIPNUXNFAML-HRDYMLBCSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1NC=O 226241225 344496040 /nfs/dbraw/zinc/49/60/40/344496040.db2.gz OBCXIPNUXNFAML-VGMNWLOBSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@H](CO)S[C@@H]1CCCC[C@H]1O 226258725 344496328 /nfs/dbraw/zinc/49/63/28/344496328.db2.gz POMXPZCUEJOFIB-IWSPIJDZSA-N 0 0 190.308 1.404 10 0 ADAERN OCCN1CCCC[C@@H]1C(F)(F)F 226276613 344497259 /nfs/dbraw/zinc/49/72/59/344497259.db2.gz HJGWKENQJNTMNE-SSDOTTSWSA-N 0 0 197.200 1.396 10 0 ADAERN OCCN1CCCC[C@H]1C(F)(F)F 226276604 344497536 /nfs/dbraw/zinc/49/75/36/344497536.db2.gz HJGWKENQJNTMNE-ZETCQYMHSA-N 0 0 197.200 1.396 10 0 ADAERN COc1cccc2c1ccn2OC 226287435 344497978 /nfs/dbraw/zinc/49/79/78/344497978.db2.gz VHIHLGXVPDMJPD-UHFFFAOYSA-N 0 0 177.203 1.708 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@@](C)(C(=O)[O-])C1CC1 226289323 344498004 /nfs/dbraw/zinc/49/80/04/344498004.db2.gz GFHZDPZZXSDNJP-OIBJUYFYSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1CC[C@@H](C(=O)[O-])C1 226291017 344498007 /nfs/dbraw/zinc/49/80/07/344498007.db2.gz ZRHPEDGHNFHQSL-IWSPIJDZSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@](C)(C(=O)[O-])C1CC1 226289314 344498063 /nfs/dbraw/zinc/49/80/63/344498063.db2.gz GFHZDPZZXSDNJP-GMSGAONNSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1C=C[C@@H](C(=O)[O-])C1 226291871 344498179 /nfs/dbraw/zinc/49/81/79/344498179.db2.gz MRHUFRWBZBLMDJ-IWSPIJDZSA-N 0 0 181.235 1.110 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1CCC[C@@H](C(=O)[O-])C1 226287557 344498187 /nfs/dbraw/zinc/49/81/87/344498187.db2.gz ZMKROUVQDWTBNV-OPRDCNLKSA-N 0 0 197.278 1.724 10 0 ADAERN CCC[C@@]1(C)CCC(=O)NC1 226317910 344498413 /nfs/dbraw/zinc/49/84/13/344498413.db2.gz NJARYIGVDSRFQK-VIFPVBQESA-N 0 0 155.241 1.703 10 0 ADAERN Cc1ncnc(NC2CC2)c1F 226313874 344498429 /nfs/dbraw/zinc/49/84/29/344498429.db2.gz JJTKECKPKGIYDS-UHFFFAOYSA-N 0 0 167.187 1.498 10 0 ADAERN Cc1ncnc(NC[C@H]2C[C@@H]2C)c1F 226316273 344498434 /nfs/dbraw/zinc/49/84/34/344498434.db2.gz QWRGHLHPCDWGPP-POYBYMJQSA-N 0 0 195.241 1.992 10 0 ADAERN Cc1ncnc(NCC(C)C)c1F 226313891 344498448 /nfs/dbraw/zinc/49/84/48/344498448.db2.gz GFTHYLBOGMRYKR-UHFFFAOYSA-N 0 0 183.230 1.992 10 0 ADAERN C[C@]1(c2nccs2)CCC(=O)NC1 226318092 344498454 /nfs/dbraw/zinc/49/84/54/344498454.db2.gz JOPQBAFZXUMLAV-VIFPVBQESA-N 0 0 196.275 1.311 10 0 ADAERN CC[C@]1(C)CCC(=O)NC1 226317429 344498458 /nfs/dbraw/zinc/49/84/58/344498458.db2.gz SHXGUSWAQZPETB-MRVPVSSYSA-N 0 0 141.214 1.313 10 0 ADAERN CC[C@H](CO)Nc1ncnc(C)c1F 226313737 344498473 /nfs/dbraw/zinc/49/84/73/344498473.db2.gz PPERBKWJWVHCOI-SSDOTTSWSA-N 0 0 199.229 1.107 10 0 ADAERN Cc1ncnc(SCCO)c1F 226313615 344498482 /nfs/dbraw/zinc/49/84/82/344498482.db2.gz FTOQZFKENRRLRT-UHFFFAOYSA-N 0 0 188.227 1.009 10 0 ADAERN Cc1ncnc(NC(C)C)c1F 226313453 344498505 /nfs/dbraw/zinc/49/85/05/344498505.db2.gz RMXVDSFHOCPJNI-UHFFFAOYSA-N 0 0 169.203 1.744 10 0 ADAERN C[C@@]1(c2nccs2)CCC(=O)NC1 226318084 344498511 /nfs/dbraw/zinc/49/85/11/344498511.db2.gz JOPQBAFZXUMLAV-SECBINFHSA-N 0 0 196.275 1.311 10 0 ADAERN COC[C@H](C)Nc1ncnc(C)c1F 226314235 344498521 /nfs/dbraw/zinc/49/85/21/344498521.db2.gz OQQYCEYFWIPBIB-LURJTMIESA-N 0 0 199.229 1.371 10 0 ADAERN Cc1ncnc(NC[C@H]2C[C@H]2C)c1F 226316285 344498524 /nfs/dbraw/zinc/49/85/24/344498524.db2.gz QWRGHLHPCDWGPP-HTRCEHHLSA-N 0 0 195.241 1.992 10 0 ADAERN CC[C@@]1(C)CCC(=O)NC1 226317427 344498537 /nfs/dbraw/zinc/49/85/37/344498537.db2.gz SHXGUSWAQZPETB-QMMMGPOBSA-N 0 0 141.214 1.313 10 0 ADAERN CC[C@@]1(C2CC2)CCC(=O)NC1 226317598 344498546 /nfs/dbraw/zinc/49/85/46/344498546.db2.gz WZAGCYKGDSBBIQ-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@@H](CO)Nc1ncnc(C)c1F 226313730 344498642 /nfs/dbraw/zinc/49/86/42/344498642.db2.gz PPERBKWJWVHCOI-ZETCQYMHSA-N 0 0 199.229 1.107 10 0 ADAERN COC[C@@H](C)Nc1ncnc(C)c1F 226314227 344498656 /nfs/dbraw/zinc/49/86/56/344498656.db2.gz OQQYCEYFWIPBIB-ZCFIWIBFSA-N 0 0 199.229 1.371 10 0 ADAERN COC[C@@]1(C(C)C)CCC(=O)NC1 226318629 344498822 /nfs/dbraw/zinc/49/88/22/344498822.db2.gz PMMREPJYHOZKKC-SNVBAGLBSA-N 0 0 185.267 1.185 10 0 ADAERN C[C@]1(c2ccoc2)CCC(=O)NC1 226319757 344498831 /nfs/dbraw/zinc/49/88/31/344498831.db2.gz SXCFOWMHIGDKCZ-JTQLQIEISA-N 0 0 179.219 1.447 10 0 ADAERN C[C@H]1CC2(CCC(=O)NC2)C[C@H](C)O1 226318653 344498835 /nfs/dbraw/zinc/49/88/35/344498835.db2.gz PIKWYGZPVFSXIN-IUCAKERBSA-N 0 0 197.278 1.470 10 0 ADAERN CC[C@]1(C(C)C)CCC(=O)NC1 226320291 344498870 /nfs/dbraw/zinc/49/88/70/344498870.db2.gz CRNJCLRKMNVRTE-JTQLQIEISA-N 0 0 169.268 1.949 10 0 ADAERN C[C@@H]1C[C@]2(CCO1)CCC(=O)NC2 226320446 344498888 /nfs/dbraw/zinc/49/88/88/344498888.db2.gz HSMGFDFRFVCUPG-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@H]1CCC[C@@]12CCC(=O)NC2 226318901 344498891 /nfs/dbraw/zinc/49/88/91/344498891.db2.gz HDPSLBWKYKNDNO-SCZZXKLOSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@]1(c2cccnc2)CCC(=O)NC1 226319229 344498912 /nfs/dbraw/zinc/49/89/12/344498912.db2.gz VPSCGEPKCCPAEZ-NSHDSACASA-N 0 0 190.246 1.249 10 0 ADAERN O=C1CC[C@]2(CCCOCC2)CN1 226318553 344498944 /nfs/dbraw/zinc/49/89/44/344498944.db2.gz PDKPQLHXSVQPCJ-JTQLQIEISA-N 0 0 183.251 1.083 10 0 ADAERN C[C@@]1(c2cccnc2)CCC(=O)NC1 226319223 344498955 /nfs/dbraw/zinc/49/89/55/344498955.db2.gz VPSCGEPKCCPAEZ-LLVKDONJSA-N 0 0 190.246 1.249 10 0 ADAERN C[C@H]1C[C@]2(CCO1)CCC(=O)NC2 226320450 344498957 /nfs/dbraw/zinc/49/89/57/344498957.db2.gz HSMGFDFRFVCUPG-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1CCC2(CCSCC2)CN1 226318856 344498974 /nfs/dbraw/zinc/49/89/74/344498974.db2.gz ULFJQSSVQPCGQH-UHFFFAOYSA-N 0 0 185.292 1.410 10 0 ADAERN C[C@@]1(C2CC2)CCC(=O)NC1 226318313 344498985 /nfs/dbraw/zinc/49/89/85/344498985.db2.gz ABWTZNTXVZYQIV-SECBINFHSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@H]1C[C@@]2(CCO1)CCC(=O)NC2 226320443 344498997 /nfs/dbraw/zinc/49/89/97/344498997.db2.gz HSMGFDFRFVCUPG-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@]1(c2ccco2)CCC(=O)NC1 226319929 344499006 /nfs/dbraw/zinc/49/90/06/344499006.db2.gz RHKYGMLGNXBDTG-JTQLQIEISA-N 0 0 179.219 1.447 10 0 ADAERN COC[C@]1(C(C)C)CCC(=O)NC1 226318634 344499010 /nfs/dbraw/zinc/49/90/10/344499010.db2.gz PMMREPJYHOZKKC-JTQLQIEISA-N 0 0 185.267 1.185 10 0 ADAERN CC1([C@@]2(C)CCC(=O)NC2)CC1 226319021 344499011 /nfs/dbraw/zinc/49/90/11/344499011.db2.gz TZUFHWNVLGHZFH-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@@H](C)[C@@]1(C)CCC(=O)NC1 226318681 344499037 /nfs/dbraw/zinc/49/90/37/344499037.db2.gz ZPYBSXKYBILHDF-SCZZXKLOSA-N 0 0 169.268 1.949 10 0 ADAERN CC[C@@H](C)[C@]1(C)CCC(=O)NC1 226318689 344499038 /nfs/dbraw/zinc/49/90/38/344499038.db2.gz ZPYBSXKYBILHDF-PSASIEDQSA-N 0 0 169.268 1.949 10 0 ADAERN C[C@H]1CCC[C@@]12CCC(=O)NC2 226318907 344499040 /nfs/dbraw/zinc/49/90/40/344499040.db2.gz HDPSLBWKYKNDNO-WPRPVWTQSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@@]1(c2ccco2)CCC(=O)NC1 226319925 344499042 /nfs/dbraw/zinc/49/90/42/344499042.db2.gz RHKYGMLGNXBDTG-SNVBAGLBSA-N 0 0 179.219 1.447 10 0 ADAERN CC[C@H](C)[C@]1(C)CCC(=O)NC1 226318693 344499047 /nfs/dbraw/zinc/49/90/47/344499047.db2.gz ZPYBSXKYBILHDF-WCBMZHEXSA-N 0 0 169.268 1.949 10 0 ADAERN CC[C@@]1(C(C)C)CCC(=O)NC1 226320285 344499049 /nfs/dbraw/zinc/49/90/49/344499049.db2.gz CRNJCLRKMNVRTE-SNVBAGLBSA-N 0 0 169.268 1.949 10 0 ADAERN CC(C)[C@@]1(C)CCC(=O)NC1 226320334 344499054 /nfs/dbraw/zinc/49/90/54/344499054.db2.gz UNZPERYGIXAYFC-VIFPVBQESA-N 0 0 155.241 1.559 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@H]1NO 226327512 344499375 /nfs/dbraw/zinc/49/93/75/344499375.db2.gz TZPPDJCECPCSOK-GJMOJQLCSA-N 0 0 143.230 1.790 10 0 ADAERN O[C@@H](c1cn[nH]c1)C(F)(F)F 226326778 344499379 /nfs/dbraw/zinc/49/93/79/344499379.db2.gz LGUQHRDVCKLNDA-BYPYZUCNSA-N 0 0 166.102 1.005 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1NO 226327525 344499409 /nfs/dbraw/zinc/49/94/09/344499409.db2.gz TZPPDJCECPCSOK-CSMHCCOUSA-N 0 0 143.230 1.790 10 0 ADAERN O[C@H](c1cn[nH]c1)C(F)(F)F 226326783 344499410 /nfs/dbraw/zinc/49/94/10/344499410.db2.gz LGUQHRDVCKLNDA-SCSAIBSYSA-N 0 0 166.102 1.005 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1NO 226323504 344499417 /nfs/dbraw/zinc/49/94/17/344499417.db2.gz NIEXNMRTYCLIEP-CSMHCCOUSA-N 0 0 143.230 1.790 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H](NO)C1 226323494 344499445 /nfs/dbraw/zinc/49/94/45/344499445.db2.gz NIEXNMRTYCLIEP-PRJMDXOYSA-N 0 0 143.230 1.790 10 0 ADAERN Fc1cncc(OC(F)F)c1 226340792 344499841 /nfs/dbraw/zinc/49/98/41/344499841.db2.gz HYNUNWPGYLHCRV-UHFFFAOYSA-N 0 0 163.098 1.822 10 0 ADAERN CCC[C@H](C)SC[C@H](O)CO 226357052 344500421 /nfs/dbraw/zinc/50/04/21/344500421.db2.gz RNYBLEHHATUJPQ-JGVFFNPUSA-N 0 0 178.297 1.261 10 0 ADAERN O=CNCCc1ccc(Cl)s1 226369589 344500907 /nfs/dbraw/zinc/50/09/07/344500907.db2.gz QEVBNZCVSSDIAG-UHFFFAOYSA-N 0 0 189.667 1.690 10 0 ADAERN CON[C@@H]1CC[C@@H](C)C[C@@H]1C 226380587 344501125 /nfs/dbraw/zinc/50/11/25/344501125.db2.gz SYDLXEHSKOEWOV-HRDYMLBCSA-N 0 0 157.257 1.962 10 0 ADAERN CON[C@@H]1CC[C@H](C)C[C@@H]1C 226380600 344501454 /nfs/dbraw/zinc/50/14/54/344501454.db2.gz SYDLXEHSKOEWOV-XHNCKOQMSA-N 0 0 157.257 1.962 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@](O)(CO)C1 226400910 344501588 /nfs/dbraw/zinc/50/15/88/344501588.db2.gz KVXDUSZAFYCYDU-HLTSFMKQSA-N 0 0 158.241 1.166 10 0 ADAERN CC[C@@H]1C[C@@H]1NC(=O)C(F)F 226403909 344501609 /nfs/dbraw/zinc/50/16/09/344501609.db2.gz BXEILFWCQIYYDX-UHNVWZDZSA-N 0 0 163.167 1.166 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1[N@H+](C)CC(=O)[O-] 226394150 344501696 /nfs/dbraw/zinc/50/16/96/344501696.db2.gz ONBQEFABBOJESK-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@H]1[N@H+](C)CC(=O)[O-] 226394135 344501709 /nfs/dbraw/zinc/50/17/09/344501709.db2.gz ONBQEFABBOJESK-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)CC(=O)[O-] 226394117 344501716 /nfs/dbraw/zinc/50/17/16/344501716.db2.gz PBQGZGIZPTUOHX-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 226396259 344501772 /nfs/dbraw/zinc/50/17/72/344501772.db2.gz IJVRZTKSSQHXAP-VHSXEESVSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H]([N@H+](C)CC(=O)[O-])C1 226394101 344501798 /nfs/dbraw/zinc/50/17/98/344501798.db2.gz PBQGZGIZPTUOHX-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)CC[C@@H]1C 226403860 344501881 /nfs/dbraw/zinc/50/18/81/344501881.db2.gz LMHGEJKHKIPTBO-LPEHRKFASA-N 0 0 199.294 1.970 10 0 ADAERN CC(=O)[C@@H](C)N1CCSC[C@@H]1C 226396189 344501897 /nfs/dbraw/zinc/50/18/97/344501897.db2.gz LLSQGAGSRMMLCE-JGVFFNPUSA-N 0 0 187.308 1.401 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@]1(O)CO 226400922 344501960 /nfs/dbraw/zinc/50/19/60/344501960.db2.gz KVXDUSZAFYCYDU-VGMNWLOBSA-N 0 0 158.241 1.166 10 0 ADAERN C[C@@H](C1CC1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 226397167 344501962 /nfs/dbraw/zinc/50/19/62/344501962.db2.gz BVELVHBDIIPUMT-WCBMZHEXSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H](C1CC1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 226397173 344501967 /nfs/dbraw/zinc/50/19/67/344501967.db2.gz BVELVHBDIIPUMT-PSASIEDQSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 226396254 344502012 /nfs/dbraw/zinc/50/20/12/344502012.db2.gz IJVRZTKSSQHXAP-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)[O-])C1 226418391 344502322 /nfs/dbraw/zinc/50/23/22/344502322.db2.gz JBJCZVYRDSDCBA-IWSPIJDZSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@H]1C[C@H]1NC(=O)C(F)F 226403927 344502345 /nfs/dbraw/zinc/50/23/45/344502345.db2.gz BXEILFWCQIYYDX-CRCLSJGQSA-N 0 0 163.167 1.166 10 0 ADAERN CC[C@H]1C[C@@H]1NC(=O)C(F)F 226403913 344502418 /nfs/dbraw/zinc/50/24/18/344502418.db2.gz BXEILFWCQIYYDX-WHFBIAKZSA-N 0 0 163.167 1.166 10 0 ADAERN CC(C)=CCNC(=O)C(F)F 226406150 344502458 /nfs/dbraw/zinc/50/24/58/344502458.db2.gz BGBBPZKCMAIJJR-UHFFFAOYSA-N 0 0 163.167 1.334 10 0 ADAERN Nc1ccc(OC2CCC2)cc1N 226433130 344502609 /nfs/dbraw/zinc/50/26/09/344502609.db2.gz QDMZRISRILCSAR-UHFFFAOYSA-N 0 0 178.235 1.782 10 0 ADAERN Cc1cc2c(cc1F)OCC2=O 226426675 344502619 /nfs/dbraw/zinc/50/26/19/344502619.db2.gz CRTBGPQVGVSPBM-UHFFFAOYSA-N 0 0 166.151 1.709 10 0 ADAERN Nc1nc(CC(=O)C2CC2)cs1 226421931 344502746 /nfs/dbraw/zinc/50/27/46/344502746.db2.gz IHDQVQDBAQRQIP-UHFFFAOYSA-N 0 0 182.248 1.247 10 0 ADAERN CC1(C)CN(C#N)CC(C)(C)O1 226424988 344502833 /nfs/dbraw/zinc/50/28/33/344502833.db2.gz KHIXLMJTBSWJFV-UHFFFAOYSA-N 0 0 168.240 1.357 10 0 ADAERN Cc1cc(C(=O)C2(N)CC2)cs1 226435659 344503048 /nfs/dbraw/zinc/50/30/48/344503048.db2.gz VZZRBIBZKWYTHM-UHFFFAOYSA-N 0 0 181.260 1.731 10 0 ADAERN NC1(C(=O)c2ccccc2F)CC1 226434074 344503075 /nfs/dbraw/zinc/50/30/75/344503075.db2.gz QCGVYWAUKWZLMW-UHFFFAOYSA-N 0 0 179.194 1.500 10 0 ADAERN Cc1cncc(C(=O)C2(N)CC2)c1 226434782 344503120 /nfs/dbraw/zinc/50/31/20/344503120.db2.gz LWBREKOTZANTLF-UHFFFAOYSA-N 0 0 176.219 1.064 10 0 ADAERN Cc1cc2c(cc1F)OCC[C@@H]2O 226443458 344503144 /nfs/dbraw/zinc/50/31/44/344503144.db2.gz POUQJSIHBBLEOH-VIFPVBQESA-N 0 0 182.194 1.950 10 0 ADAERN Cc1ccc(C(=O)C2(N)CC2)cn1 226433438 344503159 /nfs/dbraw/zinc/50/31/59/344503159.db2.gz KOUZRFMORIDCAA-UHFFFAOYSA-N 0 0 176.219 1.064 10 0 ADAERN Cc1ccncc1C(=O)C1(N)CC1 226435486 344503250 /nfs/dbraw/zinc/50/32/50/344503250.db2.gz MIVXSFYTOLOAKK-UHFFFAOYSA-N 0 0 176.219 1.064 10 0 ADAERN Cc1ccsc1C(=O)C1(N)CC1 226433893 344503291 /nfs/dbraw/zinc/50/32/91/344503291.db2.gz OKVHQDLGKLGCNZ-UHFFFAOYSA-N 0 0 181.260 1.731 10 0 ADAERN Cc1cc2c(cc1F)OCC[C@H]2O 226443453 344503298 /nfs/dbraw/zinc/50/32/98/344503298.db2.gz POUQJSIHBBLEOH-SECBINFHSA-N 0 0 182.194 1.950 10 0 ADAERN Cc1ccc(F)c(C(=O)C2(N)CC2)c1 226434139 344503355 /nfs/dbraw/zinc/50/33/55/344503355.db2.gz WNEITTCSBFBRFG-UHFFFAOYSA-N 0 0 193.221 1.808 10 0 ADAERN NC1(C(=O)c2ccsc2)CC1 226433829 344503378 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194.021 1.380 10 0 ADAERN C[C@H]1CCC[C@@H]1c1nc(CN)no1 226693344 344510340 /nfs/dbraw/zinc/51/03/40/344510340.db2.gz VLUCYOFHAWYEIU-BQBZGAKWSA-N 0 0 181.239 1.432 10 0 ADAERN CC1(C)CCC[C@@H]1c1nc(N)no1 226694998 344510387 /nfs/dbraw/zinc/51/03/87/344510387.db2.gz DFFVRKXERWSXNZ-ZCFIWIBFSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1CCC[C@H]1c1nnc(CN)o1 226698908 344510458 /nfs/dbraw/zinc/51/04/58/344510458.db2.gz ZECCXNCOVFJHQF-RNFRBKRXSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@H]1CCC[C@@H]1c1nnc(CN)o1 226698902 344510468 /nfs/dbraw/zinc/51/04/68/344510468.db2.gz ZECCXNCOVFJHQF-BQBZGAKWSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@H]1CCC[C@H]1c1nc(N)no1 226694977 344510481 /nfs/dbraw/zinc/51/04/81/344510481.db2.gz FWQPJCHKVABPSW-NTSWFWBYSA-N 0 0 167.212 1.555 10 0 ADAERN C[C@H]1CCC[C@@H]1c1nc(N)no1 226694968 344510491 /nfs/dbraw/zinc/51/04/91/344510491.db2.gz FWQPJCHKVABPSW-WDSKDSINSA-N 0 0 167.212 1.555 10 0 ADAERN C[C@@H]1CCC[C@H]1c1nc(CN)no1 226693350 344510516 /nfs/dbraw/zinc/51/05/16/344510516.db2.gz VLUCYOFHAWYEIU-RNFRBKRXSA-N 0 0 181.239 1.432 10 0 ADAERN CCNc1ncc(N)s1 226722891 344510769 /nfs/dbraw/zinc/51/07/69/344510769.db2.gz IAVITFTXGFJRKT-UHFFFAOYSA-N 0 0 143.215 1.157 10 0 ADAERN CC(C)N(C)c1ncc(N)s1 226721274 344510805 /nfs/dbraw/zinc/51/08/05/344510805.db2.gz GEROPXOMNMDKSX-UHFFFAOYSA-N 0 0 171.269 1.570 10 0 ADAERN CC[C@H](C)Nc1ncc(N)s1 226722675 344510807 /nfs/dbraw/zinc/51/08/07/344510807.db2.gz DZPQKSNNRPSJDF-YFKPBYRVSA-N 0 0 171.269 1.936 10 0 ADAERN CC[C@@H](C)Nc1ncc(N)s1 226722669 344510821 /nfs/dbraw/zinc/51/08/21/344510821.db2.gz DZPQKSNNRPSJDF-RXMQYKEDSA-N 0 0 171.269 1.936 10 0 ADAERN CC(C)(C)Nc1ncc(N)s1 226724637 344510824 /nfs/dbraw/zinc/51/08/24/344510824.db2.gz GLUWFRUISZSCSF-UHFFFAOYSA-N 0 0 171.269 1.936 10 0 ADAERN CC(C)Nc1ncc(N)s1 226722624 344510832 /nfs/dbraw/zinc/51/08/32/344510832.db2.gz NFDKAJYLBAMSOU-UHFFFAOYSA-N 0 0 157.242 1.546 10 0 ADAERN Nc1cnc(NC2CC2)s1 226722697 344510838 /nfs/dbraw/zinc/51/08/38/344510838.db2.gz OKAJXGHOSLVDHU-UHFFFAOYSA-N 0 0 155.226 1.300 10 0 ADAERN Nc1cnc(NC[C@@H]2CCCO2)s1 226724296 344510845 /nfs/dbraw/zinc/51/08/45/344510845.db2.gz TZDMBUGIIIXJKA-LURJTMIESA-N 0 0 199.279 1.316 10 0 ADAERN CC(C)CNc1ncc(N)s1 226722735 344510880 /nfs/dbraw/zinc/51/08/80/344510880.db2.gz RIQHOORIEMRIGG-UHFFFAOYSA-N 0 0 171.269 1.793 10 0 ADAERN CCCNc1ncc(N)s1 226722606 344510954 /nfs/dbraw/zinc/51/09/54/344510954.db2.gz CGLCBRNQKOUOCW-UHFFFAOYSA-N 0 0 157.242 1.547 10 0 ADAERN Nc1cnc(NC[C@H]2CCCO2)s1 226724304 344510995 /nfs/dbraw/zinc/51/09/95/344510995.db2.gz TZDMBUGIIIXJKA-ZCFIWIBFSA-N 0 0 199.279 1.316 10 0 ADAERN C[C@H]1CCN(c2ncc(N)s2)C1 226732000 344511193 /nfs/dbraw/zinc/51/11/93/344511193.db2.gz MAFZKJHWSRTAPK-LURJTMIESA-N 0 0 183.280 1.572 10 0 ADAERN C[C@H](N)c1nnc([C@@H]2OCC[C@@H]2C)o1 226738019 344511195 /nfs/dbraw/zinc/51/11/95/344511195.db2.gz IYQPUGGGWITELK-LYFYHCNISA-N 0 0 197.238 1.187 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H](O)c1cc[nH]c1 226727701 344511198 /nfs/dbraw/zinc/51/11/98/344511198.db2.gz NGKCKTQEPOECKU-JEZHCXPESA-N 0 0 181.235 1.473 10 0 ADAERN C[C@H](N)c1nnc([C@H]2OCC[C@@H]2C)o1 226738028 344511199 /nfs/dbraw/zinc/51/11/99/344511199.db2.gz IYQPUGGGWITELK-ACZMJKKPSA-N 0 0 197.238 1.187 10 0 ADAERN C[C@@H](C[N@@H+]1CCCCC[C@@H]1C)C(=O)[O-] 226735272 344511205 /nfs/dbraw/zinc/51/12/05/344511205.db2.gz ZRLZJVOTBIFAQC-UWVGGRQHSA-N 0 0 199.294 1.972 10 0 ADAERN Nc1cnc(NC2CCC2)s1 226740522 344511213 /nfs/dbraw/zinc/51/12/13/344511213.db2.gz XCUJBVSRCKNZNI-UHFFFAOYSA-N 0 0 169.253 1.690 10 0 ADAERN Nc1cnc(NCc2cn[nH]c2)s1 226735535 344511226 /nfs/dbraw/zinc/51/12/26/344511226.db2.gz PKWPZTZQFUBBSY-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN CC1(C)C[C@@H]1Nc1ncc(N)s1 226738902 344511284 /nfs/dbraw/zinc/51/12/84/344511284.db2.gz JJTFXJPLFSZJHN-YFKPBYRVSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@@H]1CCCN1c1ncc(N)s1 226731553 344511286 /nfs/dbraw/zinc/51/12/86/344511286.db2.gz BKBPBPMGFLIDSC-ZCFIWIBFSA-N 0 0 183.280 1.714 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H](O)c1ccc[nH]1 226727674 344511294 /nfs/dbraw/zinc/51/12/94/344511294.db2.gz NRDVXHQGDGCVSH-JEZHCXPESA-N 0 0 181.235 1.473 10 0 ADAERN CCN(c1ncc(N)s1)C(C)C 226727970 344511314 /nfs/dbraw/zinc/51/13/14/344511314.db2.gz IRBUFEWRKVMBAP-UHFFFAOYSA-N 0 0 185.296 1.960 10 0 ADAERN Nc1cnc(NC2CCOCC2)s1 226730603 344511325 /nfs/dbraw/zinc/51/13/25/344511325.db2.gz WJXJYCORZBGQDL-UHFFFAOYSA-N 0 0 199.279 1.316 10 0 ADAERN C[C@H](Nc1ncc(N)s1)C1CC1 226729161 344511331 /nfs/dbraw/zinc/51/13/31/344511331.db2.gz UNSOCWPDTSBBKL-YFKPBYRVSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H](O)c1cc[nH]c1 226727717 344511334 /nfs/dbraw/zinc/51/13/34/344511334.db2.gz NGKCKTQEPOECKU-FKTZTGRPSA-N 0 0 181.235 1.473 10 0 ADAERN Nc1cnc(NCC2CCC2)s1 226728399 344511356 /nfs/dbraw/zinc/51/13/56/344511356.db2.gz TVGFYAWEXAKDFH-UHFFFAOYSA-N 0 0 183.280 1.937 10 0 ADAERN CN(c1ncc(N)s1)C1CC1 226727948 344511359 /nfs/dbraw/zinc/51/13/59/344511359.db2.gz AQQUNQMLIALPCG-UHFFFAOYSA-N 0 0 169.253 1.324 10 0 ADAERN Nc1cnc(NCc2cc[nH]n2)s1 226732195 344511375 /nfs/dbraw/zinc/51/13/75/344511375.db2.gz DMQVZXITOCCEKV-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN C[C@H]1CCCCC[N@H+]1[C@H](C)C(=O)[O-] 226735088 344511380 /nfs/dbraw/zinc/51/13/80/344511380.db2.gz IVPWSMUUOBLOHM-DTWKUNHWSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H]1CCCN1c1ncc(N)s1 226731563 344511393 /nfs/dbraw/zinc/51/13/93/344511393.db2.gz BKBPBPMGFLIDSC-LURJTMIESA-N 0 0 183.280 1.714 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H](O)c1ccc[nH]1 226727687 344511403 /nfs/dbraw/zinc/51/14/03/344511403.db2.gz NRDVXHQGDGCVSH-FKTZTGRPSA-N 0 0 181.235 1.473 10 0 ADAERN C[C@@H]1CCN(c2ncc(N)s2)C1 226731994 344511418 /nfs/dbraw/zinc/51/14/18/344511418.db2.gz MAFZKJHWSRTAPK-ZCFIWIBFSA-N 0 0 183.280 1.572 10 0 ADAERN CCCN(C)c1ncc(N)s1 226728104 344511433 /nfs/dbraw/zinc/51/14/33/344511433.db2.gz OKMKTFOAVGRKIE-UHFFFAOYSA-N 0 0 171.269 1.572 10 0 ADAERN CC1(C)C[C@H]1Nc1ncc(N)s1 226738915 344511448 /nfs/dbraw/zinc/51/14/48/344511448.db2.gz JJTFXJPLFSZJHN-RXMQYKEDSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@@H](Nc1ncc(N)s1)C1CC1 226729154 344511457 /nfs/dbraw/zinc/51/14/57/344511457.db2.gz UNSOCWPDTSBBKL-RXMQYKEDSA-N 0 0 183.280 1.936 10 0 ADAERN Cc1nsc(NCc2ccno2)n1 226737081 344511491 /nfs/dbraw/zinc/51/14/91/344511491.db2.gz UVSXDBKKXPHUKS-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncc(N)s1 226740564 344511757 /nfs/dbraw/zinc/51/17/57/344511757.db2.gz LPCZFBAXNUSINE-UHNVWZDZSA-N 0 0 169.253 1.546 10 0 ADAERN C[C@@H]1CCC[C@H]1c1n[nH]c(=O)o1 226743092 344511762 /nfs/dbraw/zinc/51/17/62/344511762.db2.gz VQKUPKONLGLDQL-PHDIDXHHSA-N 0 0 168.196 1.267 10 0 ADAERN C[C@H]1CCC[C@@H]1c1n[nH]c(=O)o1 226743087 344511767 /nfs/dbraw/zinc/51/17/67/344511767.db2.gz VQKUPKONLGLDQL-WDSKDSINSA-N 0 0 168.196 1.267 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncc(N)s1 226740573 344511779 /nfs/dbraw/zinc/51/17/79/344511779.db2.gz LPCZFBAXNUSINE-WHFBIAKZSA-N 0 0 169.253 1.546 10 0 ADAERN Nc1cnc(N[C@H]2CCCOC2)s1 226742980 344511783 /nfs/dbraw/zinc/51/17/83/344511783.db2.gz GVOIZUGFYFUQQM-LURJTMIESA-N 0 0 199.279 1.316 10 0 ADAERN Nc1cnc(NCc2ncc[nH]2)s1 226744808 344511787 /nfs/dbraw/zinc/51/17/87/344511787.db2.gz RTCJNPCPTZSUMT-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN CSCCNc1ncc(N)s1 226743799 344511800 /nfs/dbraw/zinc/51/18/00/344511800.db2.gz FAEGKQUDRGXCMC-UHFFFAOYSA-N 0 0 189.309 1.500 10 0 ADAERN CC1(C)CCC[C@H]1c1n[nH]c(=O)o1 226743035 344511817 /nfs/dbraw/zinc/51/18/17/344511817.db2.gz AXQWACKKCWYFDY-LURJTMIESA-N 0 0 182.223 1.657 10 0 ADAERN CC1(C)CCC[C@@H]1c1n[nH]c(=O)o1 226743029 344511823 /nfs/dbraw/zinc/51/18/23/344511823.db2.gz AXQWACKKCWYFDY-ZCFIWIBFSA-N 0 0 182.223 1.657 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1n[nH]c(=O)o1 226743078 344511826 /nfs/dbraw/zinc/51/18/26/344511826.db2.gz VQKUPKONLGLDQL-RITPCOANSA-N 0 0 168.196 1.267 10 0 ADAERN Nc1cnc(NC[C@@H]2CCOC2)s1 226741240 344511856 /nfs/dbraw/zinc/51/18/56/344511856.db2.gz IJSGJBJAYFELCL-LURJTMIESA-N 0 0 199.279 1.174 10 0 ADAERN Nc1cnc(N[C@@H]2CCCOC2)s1 226742974 344511862 /nfs/dbraw/zinc/51/18/62/344511862.db2.gz GVOIZUGFYFUQQM-ZCFIWIBFSA-N 0 0 199.279 1.316 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncc(N)s1 226740583 344511917 /nfs/dbraw/zinc/51/19/17/344511917.db2.gz LPCZFBAXNUSINE-RFZPGFLSSA-N 0 0 169.253 1.546 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncc(N)s1 226740587 344511919 /nfs/dbraw/zinc/51/19/19/344511919.db2.gz LPCZFBAXNUSINE-CRCLSJGQSA-N 0 0 169.253 1.546 10 0 ADAERN C[C@H]1CCC[C@H]1c1n[nH]c(=O)o1 226743098 344511922 /nfs/dbraw/zinc/51/19/22/344511922.db2.gz VQKUPKONLGLDQL-NTSWFWBYSA-N 0 0 168.196 1.267 10 0 ADAERN Nc1cnc(NC[C@H]2CCOC2)s1 226741247 344511941 /nfs/dbraw/zinc/51/19/41/344511941.db2.gz IJSGJBJAYFELCL-ZCFIWIBFSA-N 0 0 199.279 1.174 10 0 ADAERN CN(c1ncc(N)s1)C1CCC1 226752870 344512299 /nfs/dbraw/zinc/51/22/99/344512299.db2.gz FNMGTJARZLKBDP-UHFFFAOYSA-N 0 0 183.280 1.714 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2ncc(N)s2)C1 226753068 344512186 /nfs/dbraw/zinc/51/21/86/344512186.db2.gz FUBCVCWTCOZVDM-RNFRBKRXSA-N 0 0 197.307 1.960 10 0 ADAERN C[C@H]1C[C@H](C)N(c2ncc(N)s2)C1 226753079 344512200 /nfs/dbraw/zinc/51/22/00/344512200.db2.gz FUBCVCWTCOZVDM-BQBZGAKWSA-N 0 0 197.307 1.960 10 0 ADAERN C[C@H]1C[C@H]1CNc1ncc(N)s1 226751890 344512209 /nfs/dbraw/zinc/51/22/09/344512209.db2.gz VDQFHYOGVWLBCE-WDSKDSINSA-N 0 0 183.280 1.793 10 0 ADAERN C[C@@H]1OCC[C@H]1Nc1ncc(N)s1 226749811 344512224 /nfs/dbraw/zinc/51/22/24/344512224.db2.gz CHQSHGUKJDRFFJ-NTSWFWBYSA-N 0 0 199.279 1.315 10 0 ADAERN Nc1cnc(NC2CC=CC2)s1 226752150 344512239 /nfs/dbraw/zinc/51/22/39/344512239.db2.gz GLPDDSUQTBULIP-UHFFFAOYSA-N 0 0 181.264 1.856 10 0 ADAERN C[C@@H]1OCC[C@@H]1Nc1ncc(N)s1 226749798 344512253 /nfs/dbraw/zinc/51/22/53/344512253.db2.gz CHQSHGUKJDRFFJ-WDSKDSINSA-N 0 0 199.279 1.315 10 0 ADAERN C[C@@]1(Nc2ncc(N)s2)CCOC1 226752284 344512256 /nfs/dbraw/zinc/51/22/56/344512256.db2.gz HWZSHQBAZNBBQB-MRVPVSSYSA-N 0 0 199.279 1.316 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ncc(N)s1 226751865 344512270 /nfs/dbraw/zinc/51/22/70/344512270.db2.gz VDQFHYOGVWLBCE-PHDIDXHHSA-N 0 0 183.280 1.793 10 0 ADAERN Nc1cnc(NCC2(O)CCC2)s1 226752951 344512283 /nfs/dbraw/zinc/51/22/83/344512283.db2.gz REHDRHVZKJVGQG-UHFFFAOYSA-N 0 0 199.279 1.052 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncc(N)s1 226751875 344512286 /nfs/dbraw/zinc/51/22/86/344512286.db2.gz VDQFHYOGVWLBCE-NTSWFWBYSA-N 0 0 183.280 1.793 10 0 ADAERN Nc1cnc(NCC(F)F)s1 226749436 344512289 /nfs/dbraw/zinc/51/22/89/344512289.db2.gz WZBIQUXVLHKTBR-UHFFFAOYSA-N 0 0 179.195 1.402 10 0 ADAERN CC1CC(Nc2ncc(N)s2)C1 226752023 344512291 /nfs/dbraw/zinc/51/22/91/344512291.db2.gz RBRYWEBNDMXDOE-UHFFFAOYSA-N 0 0 183.280 1.936 10 0 ADAERN Nc1cnc(NN2CCCCC2)s1 226750506 344512292 /nfs/dbraw/zinc/51/22/92/344512292.db2.gz SVEJANLNZXJZIL-UHFFFAOYSA-N 0 0 198.295 1.538 10 0 ADAERN Nc1cnc(OCC2CC2)s1 226756245 344512614 /nfs/dbraw/zinc/51/26/14/344512614.db2.gz XWJLCPJGVRRFKL-UHFFFAOYSA-N 0 0 170.237 1.514 10 0 ADAERN C[C@@H](C[N@@H+]1CC[C@@H](C)C1)C(=O)[O-] 226759771 344512640 /nfs/dbraw/zinc/51/26/40/344512640.db2.gz WWADFMQUDKRNKW-SFYZADRCSA-N 0 0 171.240 1.049 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C)C1 226759633 344512665 /nfs/dbraw/zinc/51/26/65/344512665.db2.gz QKODGWHJBHEZPS-RKDXNWHRSA-N 0 0 185.267 1.437 10 0 ADAERN CCc1nccn1-c1ncc(N)s1 226754325 344512809 /nfs/dbraw/zinc/51/28/09/344512809.db2.gz KITAFMCEEZINBN-UHFFFAOYSA-N 0 0 194.263 1.473 10 0 ADAERN Cc1cc(Oc2ncc(N)s2)n[nH]1 226758810 344512873 /nfs/dbraw/zinc/51/28/73/344512873.db2.gz JJJQWRHKWRAGQG-UHFFFAOYSA-N 0 0 196.235 1.549 10 0 ADAERN CCNC(=O)NCC1(C)CCC1 226777955 344513190 /nfs/dbraw/zinc/51/31/90/344513190.db2.gz ZZMIXSQGRGHXPQ-UHFFFAOYSA-N 0 0 170.256 1.496 10 0 ADAERN CC1(C)CCC[C@@H]1CS(N)(=O)=O 226776112 344513251 /nfs/dbraw/zinc/51/32/51/344513251.db2.gz ULHQBCFWJKVGPO-SSDOTTSWSA-N 0 0 191.296 1.101 10 0 ADAERN COC(=O)[C@H](C)NCC1(C)CCC1 226774278 344513272 /nfs/dbraw/zinc/51/32/72/344513272.db2.gz 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195.270 1.012 10 0 ADAERN CO[C@H]1CNc2ccccc2NC1=O 227339743 344528849 /nfs/dbraw/zinc/52/88/49/344528849.db2.gz VVMWNJFTWFRLOD-VIFPVBQESA-N 0 0 192.218 1.066 10 0 ADAERN Nc1ccc(-c2ncno2)cc1Cl 227319699 344528951 /nfs/dbraw/zinc/52/89/51/344528951.db2.gz WCYYDZNGEDCTPB-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CO[C@@H]1CNc2ccccc2NC1=O 227339736 344528954 /nfs/dbraw/zinc/52/89/54/344528954.db2.gz VVMWNJFTWFRLOD-SECBINFHSA-N 0 0 192.218 1.066 10 0 ADAERN O[C@@H]1C[C@H]2c3ccccc3OC[C@H]12 227345947 344529236 /nfs/dbraw/zinc/52/92/36/344529236.db2.gz ZSWXASWXFOPSOB-LPEHRKFASA-N 0 0 176.215 1.543 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]2CNC(=O)C2)C1 227383912 344530015 /nfs/dbraw/zinc/53/00/15/344530015.db2.gz IGLVELHTOHRPTO-UTLUCORTSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H](O)c2nccn2C)C1 227383291 344529858 /nfs/dbraw/zinc/52/98/58/344529858.db2.gz CZRPBHLERIDOAG-OPRDCNLKSA-N 0 0 194.278 1.890 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H]2CNC(=O)C2)C1 227383926 344529876 /nfs/dbraw/zinc/52/98/76/344529876.db2.gz IGLVELHTOHRPTO-BBBLOLIVSA-N 0 0 181.279 1.949 10 0 ADAERN CC(C)/C(=C/[C@H]1CCOC1)CO 227381213 344529889 /nfs/dbraw/zinc/52/98/89/344529889.db2.gz SGFBZLGKMFVOGH-RAJVOEEQSA-N 0 0 170.252 1.598 10 0 ADAERN CC/C(=C/[C@@H]1CCCOC1)CO 227379300 344529906 /nfs/dbraw/zinc/52/99/06/344529906.db2.gz GMHCCSQEAOPMNX-MBACFSSFSA-N 0 0 170.252 1.742 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](O)c2nccn2C)C1 227383301 344529972 /nfs/dbraw/zinc/52/99/72/344529972.db2.gz CZRPBHLERIDOAG-KXUCPTDWSA-N 0 0 194.278 1.890 10 0 ADAERN CC(C)/C(=C/[C@@H]1CCOC1)CO 227381207 344529974 /nfs/dbraw/zinc/52/99/74/344529974.db2.gz SGFBZLGKMFVOGH-UMYFRRCYSA-N 0 0 170.252 1.598 10 0 ADAERN CC/C(=C/[C@H]1CCCOC1)CO 227379309 344530009 /nfs/dbraw/zinc/53/00/09/344530009.db2.gz GMHCCSQEAOPMNX-ABRRARGCSA-N 0 0 170.252 1.742 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]12CNC(=O)C2 227383542 344530072 /nfs/dbraw/zinc/53/00/72/344530072.db2.gz DUZBULQAVQRXOW-WCABBAIRSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]12CNC(=O)C2 227383557 344530092 /nfs/dbraw/zinc/53/00/92/344530092.db2.gz DUZBULQAVQRXOW-YWVKMMECSA-N 0 0 181.279 1.949 10 0 ADAERN Cc1nn(C)cc1C1N=NC(=S)O1 227425905 344530562 /nfs/dbraw/zinc/53/05/62/344530562.db2.gz IQZHQTLVQUTBCP-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN Cc1nn(C)cc1-c1nnc(Cl)o1 227441529 344530879 /nfs/dbraw/zinc/53/08/79/344530879.db2.gz QWNVXIQZIAKPCP-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN Cc1nn(C)cc1[C@H](N)c1ccco1 227459082 344531010 /nfs/dbraw/zinc/53/10/10/344531010.db2.gz RISZYBTVBDOOKJ-JTQLQIEISA-N 0 0 191.234 1.370 10 0 ADAERN Cc1nn(C)cc1C(=O)C(C)(C)C 227442963 344531015 /nfs/dbraw/zinc/53/10/15/344531015.db2.gz DEHAQMYUHYEOMF-UHFFFAOYSA-N 0 0 180.251 1.957 10 0 ADAERN Cc1nn(C)cc1NC[C@H]1CCCO1 227470345 344531074 /nfs/dbraw/zinc/53/10/74/344531074.db2.gz KTOMCFNMKOQLJT-SECBINFHSA-N 0 0 195.266 1.319 10 0 ADAERN CCCC(=O)c1cn(C)nc1C 227441581 344531094 /nfs/dbraw/zinc/53/10/94/344531094.db2.gz DVDLARGPZMNELX-UHFFFAOYSA-N 0 0 166.224 1.711 10 0 ADAERN Cc1nn(C)cc1[C@@H](N)c1ccco1 227459075 344531105 /nfs/dbraw/zinc/53/11/05/344531105.db2.gz RISZYBTVBDOOKJ-SNVBAGLBSA-N 0 0 191.234 1.370 10 0 ADAERN Cc1nn(C)cc1NCC1CCC1 227473871 344531112 /nfs/dbraw/zinc/53/11/12/344531112.db2.gz VGUHJCWATHSMCZ-UHFFFAOYSA-N 0 0 179.267 1.941 10 0 ADAERN CCN(C)C(=O)Nc1nncs1 227447586 344531115 /nfs/dbraw/zinc/53/11/15/344531115.db2.gz NOINTDJGZIIVSK-UHFFFAOYSA-N 0 0 186.240 1.022 10 0 ADAERN C[C@H](O)[C@@H](C)[C@@H]1CCCC1=O 227480307 344531531 /nfs/dbraw/zinc/53/15/31/344531531.db2.gz XNYAYBWJNIUBPY-CSMHCCOUSA-N 0 0 156.225 1.373 10 0 ADAERN CCNc1cn(C)nc1C 227475260 344531431 /nfs/dbraw/zinc/53/14/31/344531431.db2.gz XIAQDKYPCFRTLW-UHFFFAOYSA-N 0 0 139.202 1.160 10 0 ADAERN C[C@H](O)[C@@H](C)[C@@H]1CCCCC1=O 227480324 344531443 /nfs/dbraw/zinc/53/14/43/344531443.db2.gz HFCANZWNMFEENF-VGMNWLOBSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1nn(C)cc1[C@@H](NN)C(C)(C)C 227480385 344531477 /nfs/dbraw/zinc/53/14/77/344531477.db2.gz LTDBNTJNZAQCKZ-SECBINFHSA-N 0 0 196.298 1.279 10 0 ADAERN CC(=O)[C@H](C)[C@@H](C)[C@H](C)O 227480285 344531498 /nfs/dbraw/zinc/53/14/98/344531498.db2.gz IEYZUIJDBGQNGY-QYNIQEEDSA-N 0 0 144.214 1.228 10 0 ADAERN Cc1nn(C)cc1[C@H](NN)C(C)(C)C 227480395 344531522 /nfs/dbraw/zinc/53/15/22/344531522.db2.gz LTDBNTJNZAQCKZ-VIFPVBQESA-N 0 0 196.298 1.279 10 0 ADAERN C[C@H](O)[C@H](C)[C@@H]1CCCC1=O 227480313 344531542 /nfs/dbraw/zinc/53/15/42/344531542.db2.gz XNYAYBWJNIUBPY-FXQIFTODSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1nn(C)cc1NCC(F)(F)F 227481189 344531554 /nfs/dbraw/zinc/53/15/54/344531554.db2.gz IMCMXFCVAQFVJF-UHFFFAOYSA-N 0 0 193.172 1.703 10 0 ADAERN CC(=O)[C@H](C)[C@H](C)[C@H](C)O 227480279 344531686 /nfs/dbraw/zinc/53/16/86/344531686.db2.gz IEYZUIJDBGQNGY-XVMARJQXSA-N 0 0 144.214 1.228 10 0 ADAERN Cc1nn(C)cc1NCC1(C)COC1 227488698 344532005 /nfs/dbraw/zinc/53/20/05/344532005.db2.gz PEOLJERFLVVXGJ-UHFFFAOYSA-N 0 0 195.266 1.177 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)C1CC1 227494920 344532039 /nfs/dbraw/zinc/53/20/39/344532039.db2.gz QVBQXAZLOSCTMO-NJUXHZRNSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)C1CC1 227494907 344532065 /nfs/dbraw/zinc/53/20/65/344532065.db2.gz QVBQXAZLOSCTMO-DTLFHODZSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)c1cccnc1N 227495892 344532096 /nfs/dbraw/zinc/53/20/96/344532096.db2.gz OMXFVOCMZOCVSO-VDAHYXPESA-N 0 0 178.235 1.353 10 0 ADAERN Cc1nn(C)cc1NCC(F)F 227488276 344532112 /nfs/dbraw/zinc/53/21/12/344532112.db2.gz WIGACVHKUIGMFS-UHFFFAOYSA-N 0 0 175.182 1.406 10 0 ADAERN Cc1nn(C)cc1NCCF 227487518 344532131 /nfs/dbraw/zinc/53/21/31/344532131.db2.gz ZMBOYMLTYXVJLL-UHFFFAOYSA-N 0 0 157.192 1.110 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)c1cccnc1N 227495878 344532208 /nfs/dbraw/zinc/53/22/08/344532208.db2.gz OMXFVOCMZOCVSO-YEPSODPASA-N 0 0 178.235 1.353 10 0 ADAERN Cc1nn(C)cc1-n1cc[nH]c1=S 227499630 344532622 /nfs/dbraw/zinc/53/26/22/344532622.db2.gz HBIICFFWIGTUFT-UHFFFAOYSA-N 0 0 194.263 1.203 10 0 ADAERN C/C=C/C(=O)NC(C)(C)C1CC1 227507678 344532783 /nfs/dbraw/zinc/53/27/83/344532783.db2.gz GERGCFOUIBCPCM-SNAWJCMRSA-N 0 0 167.252 1.867 10 0 ADAERN C[C@@H]1OCC[C@H]1Nc1cnns1 227513230 344533029 /nfs/dbraw/zinc/53/30/29/344533029.db2.gz LUYCQZHOKQQDGI-NTSWFWBYSA-N 0 0 185.252 1.127 10 0 ADAERN c1nnsc1N[C@@H]1CCSC1 227513273 344533053 /nfs/dbraw/zinc/53/30/53/344533053.db2.gz QKDNGPGHNULYTC-RXMQYKEDSA-N 0 0 187.293 1.456 10 0 ADAERN CC(C)(C)CNc1cnns1 227514042 344533094 /nfs/dbraw/zinc/53/30/94/344533094.db2.gz VSBHGMOOZIOJGW-UHFFFAOYSA-N 0 0 171.269 1.996 10 0 ADAERN CC(C)[C@H](C)Nc1cnns1 227513438 344533103 /nfs/dbraw/zinc/53/31/03/344533103.db2.gz UVUULRCCBWVPFZ-LURJTMIESA-N 0 0 171.269 1.995 10 0 ADAERN C[C@@H]1OCC[C@@H]1Nc1cnns1 227513217 344533118 /nfs/dbraw/zinc/53/31/18/344533118.db2.gz LUYCQZHOKQQDGI-WDSKDSINSA-N 0 0 185.252 1.127 10 0 ADAERN c1ncc(CNc2cnns2)s1 227513842 344533127 /nfs/dbraw/zinc/53/31/27/344533127.db2.gz ICWGTIVRYCFOMV-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN C[C@H]1OCC[C@H]1Nc1cnns1 227513238 344533135 /nfs/dbraw/zinc/53/31/35/344533135.db2.gz LUYCQZHOKQQDGI-PHDIDXHHSA-N 0 0 185.252 1.127 10 0 ADAERN CC(C)[C@@H](C)Nc1cnns1 227513429 344533145 /nfs/dbraw/zinc/53/31/45/344533145.db2.gz UVUULRCCBWVPFZ-ZCFIWIBFSA-N 0 0 171.269 1.995 10 0 ADAERN C[C@H]1OCC[C@@H]1Nc1cnns1 227513224 344533178 /nfs/dbraw/zinc/53/31/78/344533178.db2.gz LUYCQZHOKQQDGI-RITPCOANSA-N 0 0 185.252 1.127 10 0 ADAERN CC(C)Nc1cnns1 227513793 344533183 /nfs/dbraw/zinc/53/31/83/344533183.db2.gz HMBFABZVXIIMEP-UHFFFAOYSA-N 0 0 143.215 1.358 10 0 ADAERN c1nnsc1NC1CCCC1 227513064 344533192 /nfs/dbraw/zinc/53/31/92/344533192.db2.gz MSSYPJHFZLFOOT-UHFFFAOYSA-N 0 0 169.253 1.893 10 0 ADAERN c1nnsc1NC1CCOCC1 227513816 344533206 /nfs/dbraw/zinc/53/32/06/344533206.db2.gz VENXYBXYTYNVMX-UHFFFAOYSA-N 0 0 185.252 1.129 10 0 ADAERN c1nnsc1N[C@H]1CCSC1 227513280 344533250 /nfs/dbraw/zinc/53/32/50/344533250.db2.gz QKDNGPGHNULYTC-YFKPBYRVSA-N 0 0 187.293 1.456 10 0 ADAERN C1=CO[C@@H](CNc2cnns2)CC1 227514181 344533278 /nfs/dbraw/zinc/53/32/78/344533278.db2.gz WGTWSBLRZHCZMD-SSDOTTSWSA-N 0 0 197.263 1.643 10 0 ADAERN c1nc(CNc2cnns2)cs1 227515204 344533297 /nfs/dbraw/zinc/53/32/97/344533297.db2.gz ZPQAOCYRRKTQTJ-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN Cn1cccc1CNc1cnns1 227515308 344533301 /nfs/dbraw/zinc/53/33/01/344533301.db2.gz RRWWAMRXBULYCY-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN CCCC(=O)NCCn1cc(C)cn1 227525924 344533604 /nfs/dbraw/zinc/53/36/04/344533604.db2.gz DHNLVCNBVBHJMG-UHFFFAOYSA-N 0 0 195.266 1.108 10 0 ADAERN CO[C@H](C)CNc1ncnc(C)c1F 227540543 344533945 /nfs/dbraw/zinc/53/39/45/344533945.db2.gz ILZVHUFJDFSMLT-ZCFIWIBFSA-N 0 0 199.229 1.371 10 0 ADAERN C[C@H]1C[C@@H]1CNc1nccnc1N 227536893 344534039 /nfs/dbraw/zinc/53/40/39/344534039.db2.gz WVTSNVSWAYEMBJ-NKWVEPMBSA-N 0 0 178.239 1.127 10 0 ADAERN COC1CC(Nc2cccc(O)c2)C1 227542393 344534049 /nfs/dbraw/zinc/53/40/49/344534049.db2.gz PIAXCAANGRPCAN-UHFFFAOYSA-N 0 0 193.246 1.982 10 0 ADAERN CO[C@@H](C)CNc1ncnc(C)c1F 227540541 344534060 /nfs/dbraw/zinc/53/40/60/344534060.db2.gz ILZVHUFJDFSMLT-LURJTMIESA-N 0 0 199.229 1.371 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1nccnc1N 227536890 344534153 /nfs/dbraw/zinc/53/41/53/344534153.db2.gz WVTSNVSWAYEMBJ-RNFRBKRXSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]1C[C@H]1CNc1nccnc1N 227536901 344534157 /nfs/dbraw/zinc/53/41/57/344534157.db2.gz WVTSNVSWAYEMBJ-BQBZGAKWSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@@H]1C[C@H]1CNc1nccnc1N 227536896 344534170 /nfs/dbraw/zinc/53/41/70/344534170.db2.gz WVTSNVSWAYEMBJ-RQJHMYQMSA-N 0 0 178.239 1.127 10 0 ADAERN S=c1ccc(-c2ccc[nH]2)n[nH]1 227558184 344535034 /nfs/dbraw/zinc/53/50/34/344535034.db2.gz ZKNJRIXHEWTCAU-UHFFFAOYSA-N 0 0 177.232 1.760 10 0 ADAERN CCNC(=O)N(C)c1ccncc1 227567474 344535451 /nfs/dbraw/zinc/53/54/51/344535451.db2.gz VQXGOWWISXLTST-UHFFFAOYSA-N 0 0 179.223 1.247 10 0 ADAERN CCCC(=O)NCC1CCC(O)CC1 227573566 344536110 /nfs/dbraw/zinc/53/61/10/344536110.db2.gz WXTCGWJXJWPPST-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN C/C=C/C(=O)NCC1CCC(O)CC1 227585624 344536427 /nfs/dbraw/zinc/53/64/27/344536427.db2.gz GSRLHLCVZIWLAJ-NSCUHMNNSA-N 0 0 197.278 1.230 10 0 ADAERN CC(C)C(=O)NCC1CCC(O)CC1 227595082 344536604 /nfs/dbraw/zinc/53/66/04/344536604.db2.gz GVNIWZMQUZMHEM-UHFFFAOYSA-N 0 0 199.294 1.310 10 0 ADAERN O=C(NCC1CCC(O)CC1)C1CC1 227581486 344536671 /nfs/dbraw/zinc/53/66/71/344536671.db2.gz HYSGQUDROXDCSA-UHFFFAOYSA-N 0 0 197.278 1.064 10 0 ADAERN CCC(=O)NCC1CCC(O)CC1 227581456 344536736 /nfs/dbraw/zinc/53/67/36/344536736.db2.gz MRWHAZBCZDXOON-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN CCCC(=O)N1CCC([C@@H](C)O)CC1 227621523 344538423 /nfs/dbraw/zinc/53/84/23/344538423.db2.gz CYFQBIROMBWLMG-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN CCCC(=O)N1CCC([C@H](C)O)CC1 227621526 344538440 /nfs/dbraw/zinc/53/84/40/344538440.db2.gz CYFQBIROMBWLMG-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN Fc1cc(OC[C@@H]2CCCO2)ccn1 227637712 344540836 /nfs/dbraw/zinc/54/08/36/344540836.db2.gz ZZIPTRYMXLSUKN-VIFPVBQESA-N 0 0 197.209 1.779 10 0 ADAERN COCCNc1ccnc(F)c1 227639714 344540843 /nfs/dbraw/zinc/54/08/43/344540843.db2.gz RPCLZRQLPQZHAK-UHFFFAOYSA-N 0 0 170.187 1.279 10 0 ADAERN COC(C)(C)C(=O)NCCCC1CC1 227638130 344540852 /nfs/dbraw/zinc/54/08/52/344540852.db2.gz AHWOMYOFRQTNBF-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN Fc1cc(OC[C@@H]2CCOC2)ccn1 227638498 344540867 /nfs/dbraw/zinc/54/08/67/344540867.db2.gz XTXWGHWFBFFSAK-MRVPVSSYSA-N 0 0 197.209 1.636 10 0 ADAERN Fc1cc(N2CCSCC2)ccn1 227639630 344540877 /nfs/dbraw/zinc/54/08/77/344540877.db2.gz PKRBCBVKRYNEID-UHFFFAOYSA-N 0 0 198.266 1.774 10 0 ADAERN C[C@@H]1CN(c2ccnc(F)c2)CCO1 227639571 344540926 /nfs/dbraw/zinc/54/09/26/344540926.db2.gz YFQZPILASBPECT-MRVPVSSYSA-N 0 0 196.225 1.446 10 0 ADAERN OC1CCN(c2ccnc(F)c2)CC1 227639614 344540935 /nfs/dbraw/zinc/54/09/35/344540935.db2.gz LCIPTYKUJLWXCJ-UHFFFAOYSA-N 0 0 196.225 1.182 10 0 ADAERN Fc1cc(OC2CCOCC2)ccn1 227638473 344540938 /nfs/dbraw/zinc/54/09/38/344540938.db2.gz OTIIRIFHONLPLD-UHFFFAOYSA-N 0 0 197.209 1.779 10 0 ADAERN Fc1cc(NC2CC2)ccn1 227639733 344541080 /nfs/dbraw/zinc/54/10/80/344541080.db2.gz UPGFZBCRQPBPNL-UHFFFAOYSA-N 0 0 152.172 1.795 10 0 ADAERN Fc1cc(O[C@H]2CCOC2)ccn1 227638579 344540975 /nfs/dbraw/zinc/54/09/75/344540975.db2.gz RSODRXHSFHDWAR-QMMMGPOBSA-N 0 0 183.182 1.388 10 0 ADAERN C[C@H]1CN(c2ccnc(F)c2)CCO1 227639578 344541006 /nfs/dbraw/zinc/54/10/06/344541006.db2.gz YFQZPILASBPECT-QMMMGPOBSA-N 0 0 196.225 1.446 10 0 ADAERN Fc1cc(O[C@@H]2CCOC2)ccn1 227638577 344540995 /nfs/dbraw/zinc/54/09/95/344540995.db2.gz RSODRXHSFHDWAR-MRVPVSSYSA-N 0 0 183.182 1.388 10 0 ADAERN CCCOCC(=O)NCCCC1CC1 227638041 344541036 /nfs/dbraw/zinc/54/10/36/344541036.db2.gz MCQJPLROVAQONF-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN Fc1cc(OC[C@H]2CCOC2)ccn1 227638500 344541042 /nfs/dbraw/zinc/54/10/42/344541042.db2.gz XTXWGHWFBFFSAK-QMMMGPOBSA-N 0 0 197.209 1.636 10 0 ADAERN Fc1cc(OC[C@H]2CCCO2)ccn1 227637717 344541084 /nfs/dbraw/zinc/54/10/84/344541084.db2.gz ZZIPTRYMXLSUKN-SECBINFHSA-N 0 0 197.209 1.779 10 0 ADAERN C[C@H](CO)Nc1ccnc(F)c1 227640489 344541193 /nfs/dbraw/zinc/54/11/93/344541193.db2.gz YZFUGCXNMUOSFK-ZCFIWIBFSA-N 0 0 170.187 1.013 10 0 ADAERN Fc1cc(NC[C@H]2CCOC2)ccn1 227643537 344541210 /nfs/dbraw/zinc/54/12/10/344541210.db2.gz BWRSITJUHKUJDP-MRVPVSSYSA-N 0 0 196.225 1.669 10 0 ADAERN Fc1cc(NC[C@@H]2CCOC2)ccn1 227643532 344541214 /nfs/dbraw/zinc/54/12/14/344541214.db2.gz BWRSITJUHKUJDP-QMMMGPOBSA-N 0 0 196.225 1.669 10 0 ADAERN Fc1cc(N2CCCOCC2)ccn1 227643642 344541216 /nfs/dbraw/zinc/54/12/16/344541216.db2.gz DJOBQJDLWFUNQV-UHFFFAOYSA-N 0 0 196.225 1.447 10 0 ADAERN Fc1cc(N[C@@H]2CCCOC2)ccn1 227643989 344541222 /nfs/dbraw/zinc/54/12/22/344541222.db2.gz CYZNSTDHBQPHJG-SECBINFHSA-N 0 0 196.225 1.812 10 0 ADAERN OCCCNc1ccnc(F)c1 227640126 344541235 /nfs/dbraw/zinc/54/12/35/344541235.db2.gz MTHSSWDRCAXRBY-UHFFFAOYSA-N 0 0 170.187 1.015 10 0 ADAERN CCN(CCO)c1ccnc(F)c1 227641092 344541275 /nfs/dbraw/zinc/54/12/75/344541275.db2.gz GSFMYJNZYJKCSS-UHFFFAOYSA-N 0 0 184.214 1.039 10 0 ADAERN COCCN(C)c1ccnc(F)c1 227641409 344541290 /nfs/dbraw/zinc/54/12/90/344541290.db2.gz UXLMJTJTVXXSQK-UHFFFAOYSA-N 0 0 184.214 1.303 10 0 ADAERN C[C@H]1COCCN1c1ccnc(F)c1 227640675 344541312 /nfs/dbraw/zinc/54/13/12/344541312.db2.gz AACZWWPAMLRMJP-QMMMGPOBSA-N 0 0 196.225 1.446 10 0 ADAERN C[C@@H](CO)Nc1ccnc(F)c1 227640483 344541327 /nfs/dbraw/zinc/54/13/27/344541327.db2.gz YZFUGCXNMUOSFK-LURJTMIESA-N 0 0 170.187 1.013 10 0 ADAERN CC(C)(CO)Nc1ccnc(F)c1 227640461 344541364 /nfs/dbraw/zinc/54/13/64/344541364.db2.gz VWCIHJZZCLVBPM-UHFFFAOYSA-N 0 0 184.214 1.404 10 0 ADAERN CN(c1ccnc(F)c1)C1CC1 227640169 344541374 /nfs/dbraw/zinc/54/13/74/344541374.db2.gz UJSVMCNOIFSKOI-UHFFFAOYSA-N 0 0 166.199 1.819 10 0 ADAERN Fc1cc(N[C@H]2CCCOC2)ccn1 227643993 344541389 /nfs/dbraw/zinc/54/13/89/344541389.db2.gz CYZNSTDHBQPHJG-VIFPVBQESA-N 0 0 196.225 1.812 10 0 ADAERN CCN(C)c1ccnc(F)c1 227640155 344541393 /nfs/dbraw/zinc/54/13/93/344541393.db2.gz QEDLGXKKMYWSDN-UHFFFAOYSA-N 0 0 154.188 1.677 10 0 ADAERN O[C@@H](CNc1ccnc(F)c1)C1CC1 227643940 344541415 /nfs/dbraw/zinc/54/14/15/344541415.db2.gz QASWKWWRIAOMHS-VIFPVBQESA-N 0 0 196.225 1.404 10 0 ADAERN C[C@@H](O)CN(C)c1ccnc(F)c1 227643321 344541418 /nfs/dbraw/zinc/54/14/18/344541418.db2.gz ABCCYOPXGIXWOJ-SSDOTTSWSA-N 0 0 184.214 1.038 10 0 ADAERN O[C@H]1CCCN(c2ccnc(F)c2)C1 227640506 344541427 /nfs/dbraw/zinc/54/14/27/344541427.db2.gz KUWHMOSAOOCWTK-VIFPVBQESA-N 0 0 196.225 1.182 10 0 ADAERN C[C@@H](O)CNc1ccnc(F)c1 227640470 344541431 /nfs/dbraw/zinc/54/14/31/344541431.db2.gz AFCVRMZFSDHPEG-ZCFIWIBFSA-N 0 0 170.187 1.013 10 0 ADAERN O[C@@H]1CCCN(c2ccnc(F)c2)C1 227640502 344541437 /nfs/dbraw/zinc/54/14/37/344541437.db2.gz KUWHMOSAOOCWTK-SECBINFHSA-N 0 0 196.225 1.182 10 0 ADAERN O[C@H](CNc1ccnc(F)c1)C1CC1 227643945 344541441 /nfs/dbraw/zinc/54/14/41/344541441.db2.gz QASWKWWRIAOMHS-SECBINFHSA-N 0 0 196.225 1.404 10 0 ADAERN C[C@H](O)CN(C)c1ccnc(F)c1 227643327 344541446 /nfs/dbraw/zinc/54/14/46/344541446.db2.gz ABCCYOPXGIXWOJ-ZETCQYMHSA-N 0 0 184.214 1.038 10 0 ADAERN C[C@H](O)CNc1ccnc(F)c1 227640474 344541473 /nfs/dbraw/zinc/54/14/73/344541473.db2.gz AFCVRMZFSDHPEG-LURJTMIESA-N 0 0 170.187 1.013 10 0 ADAERN OC1CC(Nc2ccnc(F)c2)C1 227645342 344541668 /nfs/dbraw/zinc/54/16/68/344541668.db2.gz SMFKGCUXFLVAFE-UHFFFAOYSA-N 0 0 182.198 1.156 10 0 ADAERN CN(C)Nc1ccnc(F)c1 227646339 344541673 /nfs/dbraw/zinc/54/16/73/344541673.db2.gz FLVIZCDSFZLXMO-UHFFFAOYSA-N 0 0 155.176 1.109 10 0 ADAERN OC1CC(CNc2ccnc(F)c2)C1 227645349 344541678 /nfs/dbraw/zinc/54/16/78/344541678.db2.gz PQDMBUUHHHMRGQ-UHFFFAOYSA-N 0 0 196.225 1.404 10 0 ADAERN CC[C@@](C)(CO)Nc1ccnc(F)c1 227644741 344541683 /nfs/dbraw/zinc/54/16/83/344541683.db2.gz LQUGKEHVWDIUPF-JTQLQIEISA-N 0 0 198.241 1.794 10 0 ADAERN C[C@H](CO)CNc1ccnc(F)c1 227644968 344541685 /nfs/dbraw/zinc/54/16/85/344541685.db2.gz FBULFDWNQCYTAM-ZETCQYMHSA-N 0 0 184.214 1.261 10 0 ADAERN CSCCNc1ccnc(F)c1 227644385 344541689 /nfs/dbraw/zinc/54/16/89/344541689.db2.gz AOWMHADBJLONRW-UHFFFAOYSA-N 0 0 186.255 1.996 10 0 ADAERN CC(C)(O)CNc1ccnc(F)c1 227644987 344541702 /nfs/dbraw/zinc/54/17/02/344541702.db2.gz BJDXNUZNBXCBEL-UHFFFAOYSA-N 0 0 184.214 1.404 10 0 ADAERN OCCSc1ccnc(F)c1 227647035 344541703 /nfs/dbraw/zinc/54/17/03/344541703.db2.gz TZKVEACCKHZKOV-UHFFFAOYSA-N 0 0 173.212 1.305 10 0 ADAERN Fc1cc(Sc2nc[nH]n2)ccn1 227646892 344541708 /nfs/dbraw/zinc/54/17/08/344541708.db2.gz CWOGHJCTSGLIRA-UHFFFAOYSA-N 0 0 196.210 1.490 10 0 ADAERN OC[C@H]1CCN(c2ccnc(F)c2)C1 227646512 344541714 /nfs/dbraw/zinc/54/17/14/344541714.db2.gz CYUIIPAPBHCWIW-QMMMGPOBSA-N 0 0 196.225 1.039 10 0 ADAERN C[C@H](O)CCNc1ccnc(F)c1 227644919 344541723 /nfs/dbraw/zinc/54/17/23/344541723.db2.gz IKQQFBOWZYTLNC-ZETCQYMHSA-N 0 0 184.214 1.404 10 0 ADAERN CC(C)(CO)CNc1ccnc(F)c1 227646184 344541732 /nfs/dbraw/zinc/54/17/32/344541732.db2.gz KGFPVTCAZFRWEY-UHFFFAOYSA-N 0 0 198.241 1.651 10 0 ADAERN CN(c1ccnc(F)c1)[C@@H]1CCOC1 227646278 344541748 /nfs/dbraw/zinc/54/17/48/344541748.db2.gz BLKXYOYXBZIBGG-SECBINFHSA-N 0 0 196.225 1.446 10 0 ADAERN Fc1cc(SC2COC2)ccn1 227647347 344541759 /nfs/dbraw/zinc/54/17/59/344541759.db2.gz QOYAUFHBMPAROT-UHFFFAOYSA-N 0 0 185.223 1.712 10 0 ADAERN C[C@@H](CO)CNc1ccnc(F)c1 227644963 344541781 /nfs/dbraw/zinc/54/17/81/344541781.db2.gz FBULFDWNQCYTAM-SSDOTTSWSA-N 0 0 184.214 1.261 10 0 ADAERN C[C@@H](O)CCNc1ccnc(F)c1 227644914 344541788 /nfs/dbraw/zinc/54/17/88/344541788.db2.gz IKQQFBOWZYTLNC-SSDOTTSWSA-N 0 0 184.214 1.404 10 0 ADAERN OCC1(CNc2ccnc(F)c2)CC1 227646198 344541813 /nfs/dbraw/zinc/54/18/13/344541813.db2.gz SZBAFOUJXNWZPO-UHFFFAOYSA-N 0 0 196.225 1.405 10 0 ADAERN Cc1ccn(-c2ccnc(F)c2)n1 227646695 344541816 /nfs/dbraw/zinc/54/18/16/344541816.db2.gz BOASVSLNSDJWJP-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN CN(c1ccnc(F)c1)[C@H]1CCOC1 227646283 344541835 /nfs/dbraw/zinc/54/18/35/344541835.db2.gz BLKXYOYXBZIBGG-VIFPVBQESA-N 0 0 196.225 1.446 10 0 ADAERN Cn1cc(Nc2ccnc(F)c2)cn1 227645706 344541841 /nfs/dbraw/zinc/54/18/41/344541841.db2.gz CLQNKIBWLHOADV-UHFFFAOYSA-N 0 0 192.197 1.698 10 0 ADAERN CC[C@](C)(O)CNc1ccnc(F)c1 227644997 344541847 /nfs/dbraw/zinc/54/18/47/344541847.db2.gz PTXWUQXDRXFSON-JTQLQIEISA-N 0 0 198.241 1.794 10 0 ADAERN C[C@H](CCO)Nc1ccnc(F)c1 227646472 344541861 /nfs/dbraw/zinc/54/18/61/344541861.db2.gz SFIACNMNOVKZDF-SSDOTTSWSA-N 0 0 184.214 1.404 10 0 ADAERN CC[C@@](C)(O)CNc1ccnc(F)c1 227644993 344541866 /nfs/dbraw/zinc/54/18/66/344541866.db2.gz PTXWUQXDRXFSON-SNVBAGLBSA-N 0 0 198.241 1.794 10 0 ADAERN Cc1cnn(-c2ccnc(F)c2)c1 227646633 344541868 /nfs/dbraw/zinc/54/18/68/344541868.db2.gz KJIXNACFRPQLDZ-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN Fc1cc(NCc2ccon2)ccn1 227646010 344541880 /nfs/dbraw/zinc/54/18/80/344541880.db2.gz LOYUYSFEXNHAJQ-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN Fc1cc(N[C@H]2CCOC2)ccn1 227645931 344541883 /nfs/dbraw/zinc/54/18/83/344541883.db2.gz ODDUSCYHHFDAHK-QMMMGPOBSA-N 0 0 182.198 1.422 10 0 ADAERN CC[C@](C)(CO)Nc1ccnc(F)c1 227644749 344541891 /nfs/dbraw/zinc/54/18/91/344541891.db2.gz LQUGKEHVWDIUPF-SNVBAGLBSA-N 0 0 198.241 1.794 10 0 ADAERN Fc1cc(NCC(F)F)ccn1 227646193 344541906 /nfs/dbraw/zinc/54/19/06/344541906.db2.gz HGKLLHOEJDDABT-UHFFFAOYSA-N 0 0 176.141 1.898 10 0 ADAERN CN(CC(C)(C)O)c1ccnc(F)c1 227645615 344541913 /nfs/dbraw/zinc/54/19/13/344541913.db2.gz YHNNZMZOWNSNAM-UHFFFAOYSA-N 0 0 198.241 1.428 10 0 ADAERN O[C@H]1CC[C@H](CNc2nncs2)C1 227658888 344542683 /nfs/dbraw/zinc/54/26/83/344542683.db2.gz FBYBYHIUACARPC-BQBZGAKWSA-N 0 0 199.279 1.111 10 0 ADAERN O[C@@H]1CC[C@@H](CNc2nncs2)C1 227658874 344542706 /nfs/dbraw/zinc/54/27/06/344542706.db2.gz FBYBYHIUACARPC-RNFRBKRXSA-N 0 0 199.279 1.111 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1nccc(C)n1 227652422 344542761 /nfs/dbraw/zinc/54/27/61/344542761.db2.gz MRIWFTGMHLTYMJ-IUCAKERBSA-N 0 0 177.251 1.995 10 0 ADAERN O[C@H]1CC[C@@H](CNc2nncs2)C1 227658881 344542790 /nfs/dbraw/zinc/54/27/90/344542790.db2.gz FBYBYHIUACARPC-RQJHMYQMSA-N 0 0 199.279 1.111 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1nccc(C)n1 227652418 344542797 /nfs/dbraw/zinc/54/27/97/344542797.db2.gz MRIWFTGMHLTYMJ-BDAKNGLRSA-N 0 0 177.251 1.995 10 0 ADAERN CC[C@H]1C[C@H]1Nc1nccc(C)n1 227652429 344542803 /nfs/dbraw/zinc/54/28/03/344542803.db2.gz MRIWFTGMHLTYMJ-DTWKUNHWSA-N 0 0 177.251 1.995 10 0 ADAERN O[C@@H]1CC[C@H](CNc2nncs2)C1 227658885 344542910 /nfs/dbraw/zinc/54/29/10/344542910.db2.gz FBYBYHIUACARPC-NKWVEPMBSA-N 0 0 199.279 1.111 10 0 ADAERN CNc1cc(SC)ccn1 227673853 344543579 /nfs/dbraw/zinc/54/35/79/344543579.db2.gz WNTDFEPFLKVXTL-UHFFFAOYSA-N 0 0 154.238 1.845 10 0 ADAERN CCNc1cc(=O)cc[nH]1 227669536 344543599 /nfs/dbraw/zinc/54/35/99/344543599.db2.gz LTAXORYCRVCEHG-UHFFFAOYSA-N 0 0 138.170 1.219 10 0 ADAERN CNc1cc(SCCO)ccn1 227673658 344543664 /nfs/dbraw/zinc/54/36/64/344543664.db2.gz VTOINZUVTWHSIB-UHFFFAOYSA-N 0 0 184.264 1.208 10 0 ADAERN Cc1cc(Oc2ccnc(N)c2)n[nH]1 227672422 344543838 /nfs/dbraw/zinc/54/38/38/344543838.db2.gz RGMNWLGIIBHJFV-UHFFFAOYSA-N 0 0 190.206 1.488 10 0 ADAERN Cn1nccc1-c1cc(F)ccn1 227689624 344544584 /nfs/dbraw/zinc/54/45/84/344544584.db2.gz BXKHQAJANIKECV-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN C[C@@H](Nc1ccnc(Cl)c1)C(N)=O 227685947 344544590 /nfs/dbraw/zinc/54/45/90/344544590.db2.gz HXPJKSQMULCQPC-RXMQYKEDSA-N 0 0 199.641 1.021 10 0 ADAERN OCC1(Nc2ccnc(Cl)c2)CC1 227689035 344544612 /nfs/dbraw/zinc/54/46/12/344544612.db2.gz OVGIOTUHTHZXPN-UHFFFAOYSA-N 0 0 198.653 1.672 10 0 ADAERN NNc1ccnc(-c2ccco2)c1 227694668 344544737 /nfs/dbraw/zinc/54/47/37/344544737.db2.gz PLJQDOSXNDUHPP-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN NC(=O)CCNc1ccnc(Cl)c1 227685962 344544746 /nfs/dbraw/zinc/54/47/46/344544746.db2.gz NLIBURZJXFWCEC-UHFFFAOYSA-N 0 0 199.641 1.022 10 0 ADAERN NNc1ccnc(-c2ccoc2)c1 227694663 344544749 /nfs/dbraw/zinc/54/47/49/344544749.db2.gz TZXDQDVIUFEZAM-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC(C)Cc1cc(NN)ccn1 227694641 344544777 /nfs/dbraw/zinc/54/47/77/344544777.db2.gz XUIKLEOAVMMMIX-UHFFFAOYSA-N 0 0 165.240 1.566 10 0 ADAERN Cn1cc(-c2cc(F)ccn2)cn1 227689406 344544835 /nfs/dbraw/zinc/54/48/35/344544835.db2.gz TYTAOZZGCWCXDN-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN C[C@H](Nc1ccnc(Cl)c1)C(N)=O 227685950 344544867 /nfs/dbraw/zinc/54/48/67/344544867.db2.gz HXPJKSQMULCQPC-YFKPBYRVSA-N 0 0 199.641 1.021 10 0 ADAERN NNc1ccnc(C2CC2)c1 227694491 344544943 /nfs/dbraw/zinc/54/49/43/344544943.db2.gz ONLVBTZLFZKNJI-UHFFFAOYSA-N 0 0 149.197 1.245 10 0 ADAERN OC1CC(Nc2ccnc(Cl)c2)C1 227688013 344545009 /nfs/dbraw/zinc/54/50/09/344545009.db2.gz BBMICAJNOPYPDH-UHFFFAOYSA-N 0 0 198.653 1.670 10 0 ADAERN CN(C)Nc1ccnc(Cl)c1 227688545 344545073 /nfs/dbraw/zinc/54/50/73/344545073.db2.gz SPSJTXLLVXZVIZ-UHFFFAOYSA-N 0 0 171.631 1.624 10 0 ADAERN O=C1CCCN1CC1CCC(O)CC1 227730918 344545426 /nfs/dbraw/zinc/54/54/26/344545426.db2.gz MMZDYEYRUYWCQT-UHFFFAOYSA-N 0 0 197.278 1.160 10 0 ADAERN COC(=O)[C@@H](O)c1ccsc1C 227749761 344546033 /nfs/dbraw/zinc/54/60/33/344546033.db2.gz YMWWRHBEQHESJV-ZETCQYMHSA-N 0 0 186.232 1.263 10 0 ADAERN COC(=O)[C@H](O)c1ccsc1C 227749767 344546053 /nfs/dbraw/zinc/54/60/53/344546053.db2.gz YMWWRHBEQHESJV-SSDOTTSWSA-N 0 0 186.232 1.263 10 0 ADAERN C[C@H]1CNc2ccccc2N1CCO 227740736 344546095 /nfs/dbraw/zinc/54/60/95/344546095.db2.gz ZQAUHKCHJJKWJW-VIFPVBQESA-N 0 0 192.262 1.299 10 0 ADAERN C[C@@H]1CNc2ccccc2N1CCO 227740732 344546113 /nfs/dbraw/zinc/54/61/13/344546113.db2.gz ZQAUHKCHJJKWJW-SECBINFHSA-N 0 0 192.262 1.299 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1ncc(F)cn1 227757960 344546401 /nfs/dbraw/zinc/54/64/01/344546401.db2.gz QYQZZRLAUWMAAO-SVRRBLITSA-N 0 0 181.214 1.826 10 0 ADAERN COC(=O)[C@@H](NCC(C)(C)C)C1CC1 227769154 344546406 /nfs/dbraw/zinc/54/64/06/344546406.db2.gz ZYRIAMNXOZPUCQ-VIFPVBQESA-N 0 0 199.294 1.574 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1ncc(F)cn1 227757967 344546409 /nfs/dbraw/zinc/54/64/09/344546409.db2.gz QYQZZRLAUWMAAO-XPUUQOCRSA-N 0 0 181.214 1.826 10 0 ADAERN COC(=O)[C@@H](N[C@H](C)C(C)C)C1CC1 227765626 344546436 /nfs/dbraw/zinc/54/64/36/344546436.db2.gz BCBVUDARFRAYDX-SCZZXKLOSA-N 0 0 199.294 1.572 10 0 ADAERN CCC(CC)N[C@@H](C(=O)OC)C1CC1 227766817 344546453 /nfs/dbraw/zinc/54/64/53/344546453.db2.gz AZYVOCRFPROYOQ-SNVBAGLBSA-N 0 0 199.294 1.716 10 0 ADAERN COC(=O)[C@H](NCC(C)(C)C)C1CC1 227769159 344546470 /nfs/dbraw/zinc/54/64/70/344546470.db2.gz ZYRIAMNXOZPUCQ-SECBINFHSA-N 0 0 199.294 1.574 10 0 ADAERN COC(=O)[C@H](N[C@H](C)C(C)C)C1CC1 227765635 344546536 /nfs/dbraw/zinc/54/65/36/344546536.db2.gz BCBVUDARFRAYDX-PSASIEDQSA-N 0 0 199.294 1.572 10 0 ADAERN CCC(CC)N[C@H](C(=O)OC)C1CC1 227766823 344546679 /nfs/dbraw/zinc/54/66/79/344546679.db2.gz AZYVOCRFPROYOQ-JTQLQIEISA-N 0 0 199.294 1.716 10 0 ADAERN COC(=O)[C@@H](N[C@@H](C)C(C)C)C1CC1 227765615 344546690 /nfs/dbraw/zinc/54/66/90/344546690.db2.gz BCBVUDARFRAYDX-WPRPVWTQSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1sccc1[C@H](O)c1ncc[nH]1 227780459 344547012 /nfs/dbraw/zinc/54/70/12/344547012.db2.gz 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/nfs/dbraw/zinc/55/06/68/344550668.db2.gz ASVPITQKLNEPHS-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN CC(C)(C)n1c(CO)nnc1C1CC1 227935698 344551032 /nfs/dbraw/zinc/55/10/32/344551032.db2.gz DYYNWPXCTFEONE-UHFFFAOYSA-N 0 0 195.266 1.403 10 0 ADAERN CCn1c(CO)nnc1C1CCC1 227935801 344551177 /nfs/dbraw/zinc/55/11/77/344551177.db2.gz VAUNHFWMLLVKNR-UHFFFAOYSA-N 0 0 181.239 1.058 10 0 ADAERN OCc1nnc(C2CCC2)n1C1CC1 227933700 344551204 /nfs/dbraw/zinc/55/12/04/344551204.db2.gz HSQMEENRKGOWKX-UHFFFAOYSA-N 0 0 193.250 1.373 10 0 ADAERN CC(C)n1c(CO)nnc1C(F)F 227933162 344551211 /nfs/dbraw/zinc/55/12/11/344551211.db2.gz UPHCNWXQIYHSRJ-UHFFFAOYSA-N 0 0 191.181 1.289 10 0 ADAERN CCc1nnc(CO)n1C(C)(C)C 227934969 344551260 /nfs/dbraw/zinc/55/12/60/344551260.db2.gz LYDWLMIEIWTFRP-UHFFFAOYSA-N 0 0 183.255 1.088 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)Cc1ccccn1 227945334 344551687 /nfs/dbraw/zinc/55/16/87/344551687.db2.gz WUEQEEBFGHNNQY-IEBDPFPHSA-N 0 0 177.247 1.641 10 0 ADAERN Cc1cncc([C@@]2(O)CCCOC2)c1 227944546 344551692 /nfs/dbraw/zinc/55/16/92/344551692.db2.gz PRHUWPHZWDTKJA-LLVKDONJSA-N 0 0 193.246 1.388 10 0 ADAERN Cn1c(CO)nnc1CC1CCCC1 227939824 344551695 /nfs/dbraw/zinc/55/16/95/344551695.db2.gz NWZOYRPUQZSKMA-UHFFFAOYSA-N 0 0 195.266 1.040 10 0 ADAERN Cn1c(CO)nnc1C1CCCCC1 227940858 344551700 /nfs/dbraw/zinc/55/17/00/344551700.db2.gz QRRVJCGWYOHEST-UHFFFAOYSA-N 0 0 195.266 1.355 10 0 ADAERN CC[C@@H](O)c1cncc(C)c1 227944172 344551701 /nfs/dbraw/zinc/55/17/01/344551701.db2.gz UGBKVEGUHXGQKE-SECBINFHSA-N 0 0 151.209 1.833 10 0 ADAERN CC1(C)CN(C[C@@H](O)C(F)(F)F)C1 227940540 344551719 /nfs/dbraw/zinc/55/17/19/344551719.db2.gz CQZOFAXFFJKIFS-ZCFIWIBFSA-N 0 0 197.200 1.251 10 0 ADAERN CC[C@H](O)c1cncc(C)c1 227944180 344551791 /nfs/dbraw/zinc/55/17/91/344551791.db2.gz UGBKVEGUHXGQKE-VIFPVBQESA-N 0 0 151.209 1.833 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H]1C 227943304 344551794 /nfs/dbraw/zinc/55/17/94/344551794.db2.gz YYJWANJCBBFIBU-UTINFBMNSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1cncc(C2(O)CCOCC2)c1 227942835 344551838 /nfs/dbraw/zinc/55/18/38/344551838.db2.gz RXLDBERESIHXLS-UHFFFAOYSA-N 0 0 193.246 1.388 10 0 ADAERN Cc1cncc([C@H](O)C2CC2)c1 227943873 344551849 /nfs/dbraw/zinc/55/18/49/344551849.db2.gz VZGWFJFYYVMTHT-SNVBAGLBSA-N 0 0 163.220 1.833 10 0 ADAERN CC1(C)CN(C[C@H](O)C(F)(F)F)C1 227940548 344551907 /nfs/dbraw/zinc/55/19/07/344551907.db2.gz CQZOFAXFFJKIFS-LURJTMIESA-N 0 0 197.200 1.251 10 0 ADAERN Cc1cncc([C@]2(O)CCCOC2)c1 227944555 344551926 /nfs/dbraw/zinc/55/19/26/344551926.db2.gz PRHUWPHZWDTKJA-NSHDSACASA-N 0 0 193.246 1.388 10 0 ADAERN NNCc1occc1Br 228900838 344574594 /nfs/dbraw/zinc/57/45/94/344574594.db2.gz YCBNTYJCPKPIKQ-UHFFFAOYSA-N 0 0 191.028 1.005 10 0 ADAERN Cc1cncc(C2(O)CCC2)c1 227945845 344551934 /nfs/dbraw/zinc/55/19/34/344551934.db2.gz UWDGYDOYUXVOGR-UHFFFAOYSA-N 0 0 163.220 1.762 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)Cc1ccccn1 227945314 344552010 /nfs/dbraw/zinc/55/20/10/344552010.db2.gz WUEQEEBFGHNNQY-MIMYLULJSA-N 0 0 177.247 1.641 10 0 ADAERN Cc1cncc(C(=O)[C@@H]2CCCO2)c1 227948761 344552244 /nfs/dbraw/zinc/55/22/44/344552244.db2.gz ISBTXGVXGCNMPH-JTQLQIEISA-N 0 0 191.230 1.752 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@]12COC(=O)N2 227954210 344552247 /nfs/dbraw/zinc/55/22/47/344552247.db2.gz IESJCNPQRWQKFZ-WEDXCCLWSA-N 0 0 183.251 1.921 10 0 ADAERN CO[C@H](C)[C@H](O)c1cncc(C)c1 227951453 344552250 /nfs/dbraw/zinc/55/22/50/344552250.db2.gz LGZDRTNSRNHFCC-SCZZXKLOSA-N 0 0 181.235 1.458 10 0 ADAERN Cc1cncc(C(=O)[C@H]2CCCO2)c1 227948770 344552251 /nfs/dbraw/zinc/55/22/51/344552251.db2.gz ISBTXGVXGCNMPH-SNVBAGLBSA-N 0 0 191.230 1.752 10 0 ADAERN CO[C@H](C)[C@@H](O)c1cncc(C)c1 227951436 344552280 /nfs/dbraw/zinc/55/22/80/344552280.db2.gz LGZDRTNSRNHFCC-PSASIEDQSA-N 0 0 181.235 1.458 10 0 ADAERN COC[C@@H](O)c1cncc(C)c1 227949978 344552282 /nfs/dbraw/zinc/55/22/82/344552282.db2.gz VYEHKUILGFROCS-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN Cc1cncc([C@H](O)c2ncc[nH]2)c1 227951799 344552283 /nfs/dbraw/zinc/55/22/83/344552283.db2.gz DAAWWJCNPPJFAS-VIFPVBQESA-N 0 0 189.218 1.195 10 0 ADAERN Cc1cncc(C(=O)c2ncccn2)c1 227948029 344552292 /nfs/dbraw/zinc/55/22/92/344552292.db2.gz HEMPNDNWWACKLW-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN CO[C@@H](C)C(=O)c1cncc(C)c1 227949303 344552306 /nfs/dbraw/zinc/55/23/06/344552306.db2.gz BBNQJAQDIQOHFS-QMMMGPOBSA-N 0 0 179.219 1.608 10 0 ADAERN COC(C)(C)[C@@H](O)c1cncc(C)c1 227951382 344552351 /nfs/dbraw/zinc/55/23/51/344552351.db2.gz NKZRRYSQQXHONX-JTQLQIEISA-N 0 0 195.262 1.848 10 0 ADAERN COC(C)(C)[C@H](O)c1cncc(C)c1 227951393 344552373 /nfs/dbraw/zinc/55/23/73/344552373.db2.gz NKZRRYSQQXHONX-SNVBAGLBSA-N 0 0 195.262 1.848 10 0 ADAERN COC[C@H](O)c1cncc(C)c1 227949986 344552378 /nfs/dbraw/zinc/55/23/78/344552378.db2.gz VYEHKUILGFROCS-VIFPVBQESA-N 0 0 167.208 1.070 10 0 ADAERN COC(C)(C)C(=O)c1cncc(C)c1 227949249 344552387 /nfs/dbraw/zinc/55/23/87/344552387.db2.gz NIJFWBFTHHJMEA-UHFFFAOYSA-N 0 0 193.246 1.998 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]12COC(N)=N2 227953464 344552419 /nfs/dbraw/zinc/55/24/19/344552419.db2.gz KSAWSBKJQIONBX-WEDXCCLWSA-N 0 0 182.267 1.526 10 0 ADAERN CO[C@@H](C)[C@H](O)c1cncc(C)c1 227951446 344552422 /nfs/dbraw/zinc/55/24/22/344552422.db2.gz LGZDRTNSRNHFCC-WPRPVWTQSA-N 0 0 181.235 1.458 10 0 ADAERN CSC[C@H](O)c1cncc(C)c1 227950163 344552431 /nfs/dbraw/zinc/55/24/31/344552431.db2.gz XWYADCXTJVYVHH-VIFPVBQESA-N 0 0 183.276 1.786 10 0 ADAERN CO[C@H](C)C(=O)c1cncc(C)c1 227949314 344552435 /nfs/dbraw/zinc/55/24/35/344552435.db2.gz BBNQJAQDIQOHFS-MRVPVSSYSA-N 0 0 179.219 1.608 10 0 ADAERN CSC[C@@H](O)c1cncc(C)c1 227950156 344552463 /nfs/dbraw/zinc/55/24/63/344552463.db2.gz XWYADCXTJVYVHH-SECBINFHSA-N 0 0 183.276 1.786 10 0 ADAERN Cc1cncc([C@@H](O)c2ncc[nH]2)c1 227951786 344552473 /nfs/dbraw/zinc/55/24/73/344552473.db2.gz DAAWWJCNPPJFAS-SECBINFHSA-N 0 0 189.218 1.195 10 0 ADAERN CO[C@@H](C)[C@@H](O)c1cncc(C)c1 227951426 344552483 /nfs/dbraw/zinc/55/24/83/344552483.db2.gz LGZDRTNSRNHFCC-WCBMZHEXSA-N 0 0 181.235 1.458 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]12COC(N)=N2 227953444 344552508 /nfs/dbraw/zinc/55/25/08/344552508.db2.gz KSAWSBKJQIONBX-KHQFGBGNSA-N 0 0 182.267 1.526 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@]2(COC(=O)N2)C1 227954189 344552513 /nfs/dbraw/zinc/55/25/13/344552513.db2.gz IESJCNPQRWQKFZ-MRTMQBJTSA-N 0 0 183.251 1.921 10 0 ADAERN CCC(=O)c1cncc(C)c1 227947984 344552569 /nfs/dbraw/zinc/55/25/69/344552569.db2.gz ZVVXXIHURFCODN-UHFFFAOYSA-N 0 0 149.193 1.983 10 0 ADAERN Cc1cncc([C@@H](N)c2ncc[nH]2)c1 227961330 344552854 /nfs/dbraw/zinc/55/28/54/344552854.db2.gz SGZQRHVKWCEEDT-SECBINFHSA-N 0 0 188.234 1.161 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]12CNC(=O)O2 227956708 344552890 /nfs/dbraw/zinc/55/28/90/344552890.db2.gz ISRKQQUQIBFWLM-KHQFGBGNSA-N 0 0 183.251 1.921 10 0 ADAERN Cc1cncc(-n2cc(N)cn2)c1 227964180 344552912 /nfs/dbraw/zinc/55/29/12/344552912.db2.gz JVKABAFHMVWAOZ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@]12COC(=O)N2 227955146 344552937 /nfs/dbraw/zinc/55/29/37/344552937.db2.gz QYGVLZIKBAOUHZ-KHQFGBGNSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]12COC(=O)N2 227955161 344552948 /nfs/dbraw/zinc/55/29/48/344552948.db2.gz QYGVLZIKBAOUHZ-WEDXCCLWSA-N 0 0 183.251 1.921 10 0 ADAERN Cc1cncc([C@H](N)c2ncc[nH]2)c1 227961337 344553006 /nfs/dbraw/zinc/55/30/06/344553006.db2.gz SGZQRHVKWCEEDT-VIFPVBQESA-N 0 0 188.234 1.161 10 0 ADAERN Cc1cncc(-n2ccc(N)n2)c1 227964212 344553023 /nfs/dbraw/zinc/55/30/23/344553023.db2.gz HBMMNSRKADCEBR-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]12CNC(=O)O2 227956733 344553033 /nfs/dbraw/zinc/55/30/33/344553033.db2.gz ISRKQQUQIBFWLM-WEDXCCLWSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@]12CNC(=O)O2 227956843 344553063 /nfs/dbraw/zinc/55/30/63/344553063.db2.gz VXQANRMUJGEAIO-WEDXCCLWSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@]2(CNC(=O)O2)C1 227956823 344553078 /nfs/dbraw/zinc/55/30/78/344553078.db2.gz VXQANRMUJGEAIO-MRTMQBJTSA-N 0 0 183.251 1.921 10 0 ADAERN Cc1cncc(-n2cc(C)c(N)n2)c1 227964268 344553089 /nfs/dbraw/zinc/55/30/89/344553089.db2.gz DPSTWCRZSHPGSY-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cncc(CC[C@@H](C)O)c1 227970222 344553342 /nfs/dbraw/zinc/55/33/42/344553342.db2.gz NKAQILZDRSEUEU-SECBINFHSA-N 0 0 165.236 1.703 10 0 ADAERN Cc1cncc(CC[C@H](C)O)c1 227970229 344553489 /nfs/dbraw/zinc/55/34/89/344553489.db2.gz NKAQILZDRSEUEU-VIFPVBQESA-N 0 0 165.236 1.703 10 0 ADAERN Cc1cncc(C[C@@H](C)CO)c1 227970450 344553543 /nfs/dbraw/zinc/55/35/43/344553543.db2.gz BCUPHVJGVCWAQR-SECBINFHSA-N 0 0 165.236 1.561 10 0 ADAERN Cc1cncc(C[C@H](C)CO)c1 227970462 344553645 /nfs/dbraw/zinc/55/36/45/344553645.db2.gz BCUPHVJGVCWAQR-VIFPVBQESA-N 0 0 165.236 1.561 10 0 ADAERN Cn1ccnc1C[C@](C)(O)C(C)(C)C 227976969 344553786 /nfs/dbraw/zinc/55/37/86/344553786.db2.gz PPKHGFFXDQDVSZ-NSHDSACASA-N 0 0 196.294 1.760 10 0 ADAERN CC(C)(C)[C@@](C)(O)c1cnccn1 227980803 344553807 /nfs/dbraw/zinc/55/38/07/344553807.db2.gz BCDVROSPHGHMCX-JTQLQIEISA-N 0 0 180.251 1.730 10 0 ADAERN CC(C)(C)[C@](C)(O)c1cnccn1 227980811 344553821 /nfs/dbraw/zinc/55/38/21/344553821.db2.gz BCDVROSPHGHMCX-SNVBAGLBSA-N 0 0 180.251 1.730 10 0 ADAERN Cc1ccc(NC(N)=O)cc1N(C)C 227981166 344553989 /nfs/dbraw/zinc/55/39/89/344553989.db2.gz NDNPYPCVJYRRPX-UHFFFAOYSA-N 0 0 193.250 1.552 10 0 ADAERN Cn1cc(C[C@@](C)(O)C(C)(C)C)cn1 227976647 344553996 /nfs/dbraw/zinc/55/39/96/344553996.db2.gz GVYNDKKBNYRZMN-LLVKDONJSA-N 0 0 196.294 1.760 10 0 ADAERN Cn1cc([C@](C)(O)C(C)(C)C)cn1 227980778 344554044 /nfs/dbraw/zinc/55/40/44/344554044.db2.gz QRYUSWIKPBPTTJ-JTQLQIEISA-N 0 0 182.267 1.674 10 0 ADAERN CN(C)c1cccc(NC2COC2)c1 227978949 344554050 /nfs/dbraw/zinc/55/40/50/344554050.db2.gz YPVSJRBDSWPVAR-UHFFFAOYSA-N 0 0 192.262 1.563 10 0 ADAERN CC(C)(C)[C@](C)(O)c1cncnc1 227978676 344554055 /nfs/dbraw/zinc/55/40/55/344554055.db2.gz KHPJVTRMAZTAIZ-SNVBAGLBSA-N 0 0 180.251 1.730 10 0 ADAERN Cn1ccnc1C[C@@](C)(O)C(C)(C)C 227976960 344554096 /nfs/dbraw/zinc/55/40/96/344554096.db2.gz PPKHGFFXDQDVSZ-LLVKDONJSA-N 0 0 196.294 1.760 10 0 ADAERN CC(C)(C)[C@](C)(O)c1cccnc1N 227977545 344554102 /nfs/dbraw/zinc/55/41/02/344554102.db2.gz UDTJYRRURATABX-LLVKDONJSA-N 0 0 194.278 1.917 10 0 ADAERN CC(C)(C)[C@@](C)(O)c1cncnc1 227978668 344554121 /nfs/dbraw/zinc/55/41/21/344554121.db2.gz KHPJVTRMAZTAIZ-JTQLQIEISA-N 0 0 180.251 1.730 10 0 ADAERN CC(C)(C)[C@@](C)(O)c1cccnc1N 227977537 344554135 /nfs/dbraw/zinc/55/41/35/344554135.db2.gz UDTJYRRURATABX-NSHDSACASA-N 0 0 194.278 1.917 10 0 ADAERN Cn1ncnc1C[C@@](C)(O)C(C)(C)C 227977491 344554200 /nfs/dbraw/zinc/55/42/00/344554200.db2.gz PLYLDXFGKLBDIL-SNVBAGLBSA-N 0 0 197.282 1.155 10 0 ADAERN Cn1cc([C@@](C)(O)C(C)(C)C)cn1 227980768 344554210 /nfs/dbraw/zinc/55/42/10/344554210.db2.gz QRYUSWIKPBPTTJ-SNVBAGLBSA-N 0 0 182.267 1.674 10 0 ADAERN Cn1cc(C[C@](C)(O)C(C)(C)C)cn1 227976655 344554214 /nfs/dbraw/zinc/55/42/14/344554214.db2.gz GVYNDKKBNYRZMN-NSHDSACASA-N 0 0 196.294 1.760 10 0 ADAERN Cn1ncnc1C[C@](C)(O)C(C)(C)C 227977500 344554264 /nfs/dbraw/zinc/55/42/64/344554264.db2.gz PLYLDXFGKLBDIL-JTQLQIEISA-N 0 0 197.282 1.155 10 0 ADAERN COCC(=O)C1C(C)(C)C1(C)C 229179838 344585296 /nfs/dbraw/zinc/58/52/96/344585296.db2.gz SNWJYQRRTKHXSR-UHFFFAOYSA-N 0 0 170.252 1.884 10 0 ADAERN CC1(C)CCc2c1nc1ncccn21 228007423 344554396 /nfs/dbraw/zinc/55/43/96/344554396.db2.gz SKWHMDSQQDFRJL-UHFFFAOYSA-N 0 0 187.246 1.953 10 0 ADAERN CN1CCc2nc3sccn3c2C1 228004167 344554463 /nfs/dbraw/zinc/55/44/63/344554463.db2.gz KYWHIOBNRAAUNX-UHFFFAOYSA-N 0 0 193.275 1.384 10 0 ADAERN CN1CCc2nc3ccccn3c2C1 228002613 344554539 /nfs/dbraw/zinc/55/45/39/344554539.db2.gz GWUGVKVRTRAYPF-UHFFFAOYSA-N 0 0 187.246 1.322 10 0 ADAERN Cc1ccc(NCCO)cc1N(C)C 227989061 344554632 /nfs/dbraw/zinc/55/46/32/344554632.db2.gz JDXVAYKIVAMCMN-UHFFFAOYSA-N 0 0 194.278 1.465 10 0 ADAERN C[C@@H]1CCc2nc3ncccn3c2C1 228006487 344554655 /nfs/dbraw/zinc/55/46/55/344554655.db2.gz PQISYNTWAQUKBS-MRVPVSSYSA-N 0 0 187.246 1.854 10 0 ADAERN CSC1(CNc2cccnn2)CC1 227993096 344554667 /nfs/dbraw/zinc/55/46/67/344554667.db2.gz AHYLZTRFZXTNCD-UHFFFAOYSA-N 0 0 195.291 1.784 10 0 ADAERN COCc1c(C)nc2ccccn12 228003024 344554670 /nfs/dbraw/zinc/55/46/70/344554670.db2.gz FUZFQJGVPOYHHP-UHFFFAOYSA-N 0 0 176.219 1.789 10 0 ADAERN CCc1c(C)nc2ncccn12 228007695 344554678 /nfs/dbraw/zinc/55/46/78/344554678.db2.gz OQPDKCPVZZSGQF-UHFFFAOYSA-N 0 0 161.208 1.600 10 0 ADAERN Cc1csc2nc3c(n12)COCC3 228004892 344554750 /nfs/dbraw/zinc/55/47/50/344554750.db2.gz AQKWJMOUUOVVFM-UHFFFAOYSA-N 0 0 194.259 1.777 10 0 ADAERN c1cnc2nc(-c3ccoc3)cn2c1 228006331 344554793 /nfs/dbraw/zinc/55/47/93/344554793.db2.gz GTKCWOGZTUXAIW-UHFFFAOYSA-N 0 0 185.186 1.989 10 0 ADAERN Cc1ccc(N)c(N2CCCO2)c1 228000411 344554832 /nfs/dbraw/zinc/55/48/32/344554832.db2.gz RDBQKOQYVGZCNF-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Nc1ccccc1N1CCCCO1 228000978 344554845 /nfs/dbraw/zinc/55/48/45/344554845.db2.gz NLAHTGFPIJJCCF-UHFFFAOYSA-N 0 0 178.235 1.801 10 0 ADAERN C[C@H]1CCc2nc3ncccn3c2C1 228006502 344554859 /nfs/dbraw/zinc/55/48/59/344554859.db2.gz PQISYNTWAQUKBS-QMMMGPOBSA-N 0 0 187.246 1.854 10 0 ADAERN c1cnc2nc3c(n2c1)CSCC3 228006806 344554887 /nfs/dbraw/zinc/55/48/87/344554887.db2.gz LFJMSCCGGMRZNG-UHFFFAOYSA-N 0 0 191.259 1.519 10 0 ADAERN Cc1ccc2nc3c(n2c1)COCC3 228011007 344555386 /nfs/dbraw/zinc/55/53/86/344555386.db2.gz LOFGISXRNOGXQI-UHFFFAOYSA-N 0 0 188.230 1.715 10 0 ADAERN CCc1cnc2nc(C)cc(C)n12 228019287 344555404 /nfs/dbraw/zinc/55/54/04/344555404.db2.gz LNGVWQWGWISRFF-UHFFFAOYSA-N 0 0 175.235 1.909 10 0 ADAERN Cc1cccn2c3c(nc12)CCOC3 228018332 344555434 /nfs/dbraw/zinc/55/54/34/344555434.db2.gz DXALZBZYVJGPAW-UHFFFAOYSA-N 0 0 188.230 1.715 10 0 ADAERN Cc1ccn2c3c(nc2c1)CCOC3 228016975 344555440 /nfs/dbraw/zinc/55/54/40/344555440.db2.gz ZXJCKXOEHWPPNV-UHFFFAOYSA-N 0 0 188.230 1.715 10 0 ADAERN COCc1c(C)nc2ccc(F)cn12 228020056 344555572 /nfs/dbraw/zinc/55/55/72/344555572.db2.gz ZFQZSOVJLQZNAP-UHFFFAOYSA-N 0 0 194.209 1.928 10 0 ADAERN OCCNc1ccc2ncsc2c1 228024131 344555755 /nfs/dbraw/zinc/55/57/55/344555755.db2.gz NTRKZKGCARHVID-UHFFFAOYSA-N 0 0 194.259 1.701 10 0 ADAERN CCc1cnc2c(OC)cccn12 228023447 344555816 /nfs/dbraw/zinc/55/58/16/344555816.db2.gz QWHVQNXCZMYLTP-UHFFFAOYSA-N 0 0 176.219 1.905 10 0 ADAERN COc1cccn2c(C)cnc12 228023597 344556098 /nfs/dbraw/zinc/55/60/98/344556098.db2.gz GJXHOZUYAZLCNI-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN O=c1ccn2ncc(Cl)c2[nH]1 228027991 344555960 /nfs/dbraw/zinc/55/59/60/344555960.db2.gz UWHPTAFAOHBGCO-UHFFFAOYSA-N 0 0 169.571 1.088 10 0 ADAERN CCc1nc2sccn2c1C=O 228026736 344556051 /nfs/dbraw/zinc/55/60/51/344556051.db2.gz JUWUDNBEMAFZKA-UHFFFAOYSA-N 0 0 180.232 1.771 10 0 ADAERN CCCc1nc2ncccn2c1C=O 228027598 344556055 /nfs/dbraw/zinc/55/60/55/344556055.db2.gz LWDBFHNQTGIATJ-UHFFFAOYSA-N 0 0 189.218 1.494 10 0 ADAERN COc1cccn2c3c(nc12)CCC3 228023494 344556240 /nfs/dbraw/zinc/55/62/40/344556240.db2.gz QFODDFVHCMDRND-UHFFFAOYSA-N 0 0 188.230 1.832 10 0 ADAERN C[C@H]1SCCS[C@@H]1C(N)=S 228061373 344556386 /nfs/dbraw/zinc/55/63/86/344556386.db2.gz PSXJJQYBBKPNFG-UHNVWZDZSA-N 0 0 193.362 1.510 10 0 ADAERN C[C@@H]1SCCS[C@@H]1C(N)=S 228061359 344556393 /nfs/dbraw/zinc/55/63/93/344556393.db2.gz PSXJJQYBBKPNFG-WHFBIAKZSA-N 0 0 193.362 1.510 10 0 ADAERN COC(=O)c1cn2c(C)cnc2s1 228056307 344556429 /nfs/dbraw/zinc/55/64/29/344556429.db2.gz NLPRHULCQXNOMG-UHFFFAOYSA-N 0 0 196.231 1.491 10 0 ADAERN C[C@H]1SCCS[C@H]1C(N)=S 228061393 344556539 /nfs/dbraw/zinc/55/65/39/344556539.db2.gz PSXJJQYBBKPNFG-RFZPGFLSSA-N 0 0 193.362 1.510 10 0 ADAERN COCCc1ccccc1NC(N)=O 228047185 344556596 /nfs/dbraw/zinc/55/65/96/344556596.db2.gz BFYLSLOCZIWJPW-UHFFFAOYSA-N 0 0 194.234 1.366 10 0 ADAERN COc1nccnc1[C@H](O)[C@@H]1C[C@@H]1C 228074907 344556602 /nfs/dbraw/zinc/55/66/02/344556602.db2.gz FINVHATUVMWEPC-LKEWCRSYSA-N 0 0 194.234 1.175 10 0 ADAERN COc1nccnc1[C@H](O)[C@H]1C[C@@H]1C 228074917 344556630 /nfs/dbraw/zinc/55/66/30/344556630.db2.gz FINVHATUVMWEPC-ACLDMZEESA-N 0 0 194.234 1.175 10 0 ADAERN C[C@@H]1SCCS[C@H]1C(N)=S 228061381 344556792 /nfs/dbraw/zinc/55/67/92/344556792.db2.gz PSXJJQYBBKPNFG-CRCLSJGQSA-N 0 0 193.362 1.510 10 0 ADAERN c1ccc(NCC2OCCCO2)cc1 228091701 344557055 /nfs/dbraw/zinc/55/70/55/344557055.db2.gz HQMAITMCNNAEBF-UHFFFAOYSA-N 0 0 193.246 1.862 10 0 ADAERN CC(=O)[C@@H]1SCCS[C@H]1C 228077519 344557231 /nfs/dbraw/zinc/55/72/31/344557231.db2.gz DBGPCQOJXBPYCQ-BQBZGAKWSA-N 0 0 176.306 1.813 10 0 ADAERN CC(=O)[C@@H]1SCCS[C@@H]1C 228077502 344557275 /nfs/dbraw/zinc/55/72/75/344557275.db2.gz DBGPCQOJXBPYCQ-RQJHMYQMSA-N 0 0 176.306 1.813 10 0 ADAERN C[C@H](O)[C@@H]1SCCS[C@@H]1C 228091621 344557287 /nfs/dbraw/zinc/55/72/87/344557287.db2.gz XDHXKOAEXAKCFF-XVMARJQXSA-N 0 0 178.322 1.604 10 0 ADAERN CC(=O)[C@H]1SCCS[C@H]1C 228077528 344557424 /nfs/dbraw/zinc/55/74/24/344557424.db2.gz DBGPCQOJXBPYCQ-NKWVEPMBSA-N 0 0 176.306 1.813 10 0 ADAERN C[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 228088366 344557430 /nfs/dbraw/zinc/55/74/30/344557430.db2.gz IWABWXGRQIIYSW-AXFHLTTASA-N 0 0 199.294 1.011 10 0 ADAERN C[C@H](O)[C@H]1SCCS[C@@H]1C 228091637 344557440 /nfs/dbraw/zinc/55/74/40/344557440.db2.gz XDHXKOAEXAKCFF-RRKCRQDMSA-N 0 0 178.322 1.604 10 0 ADAERN CC[C@@H]1SCCS[C@H]1[C@@H](C)O 228102023 344557580 /nfs/dbraw/zinc/55/75/80/344557580.db2.gz JFKJRJXNYNQGNY-CSMHCCOUSA-N 0 0 192.349 1.994 10 0 ADAERN CC[C@@H]1SCCS[C@@H]1[C@@H](C)O 228102009 344557793 /nfs/dbraw/zinc/55/77/93/344557793.db2.gz JFKJRJXNYNQGNY-GJMOJQLCSA-N 0 0 192.349 1.994 10 0 ADAERN COC(=N)[C@@H]1SCCS[C@@H]1C 228173834 344558194 /nfs/dbraw/zinc/55/81/94/344558194.db2.gz GWZFXTHHRRBBAH-PHDIDXHHSA-N 0 0 191.321 1.847 10 0 ADAERN CC/C(=C/c1cncs1)CO 228141885 344558209 /nfs/dbraw/zinc/55/82/09/344558209.db2.gz DZGXJPZNFNQUID-CLTKARDFSA-N 0 0 169.249 1.929 10 0 ADAERN C[C@@H](C[C@@H](C)O)Nc1ncns1 228126935 344558355 /nfs/dbraw/zinc/55/83/55/344558355.db2.gz CPGMBQIVBQLNEX-NTSWFWBYSA-N 0 0 187.268 1.109 10 0 ADAERN C[C@H](O)C[C@H](C)Nc1ncns1 228126943 344558385 /nfs/dbraw/zinc/55/83/85/344558385.db2.gz CPGMBQIVBQLNEX-WDSKDSINSA-N 0 0 187.268 1.109 10 0 ADAERN C[C@@H](O)C[C@@H](C)Nc1ncns1 228126914 344558430 /nfs/dbraw/zinc/55/84/30/344558430.db2.gz CPGMBQIVBQLNEX-PHDIDXHHSA-N 0 0 187.268 1.109 10 0 ADAERN CC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 228149179 344558511 /nfs/dbraw/zinc/55/85/11/344558511.db2.gz LPFSBAUSVQDEPJ-IZJRFANQSA-N 0 0 156.225 1.635 10 0 ADAERN COC(=N)[C@H]1SCCS[C@@H]1C 228173842 344558552 /nfs/dbraw/zinc/55/85/52/344558552.db2.gz GWZFXTHHRRBBAH-RITPCOANSA-N 0 0 191.321 1.847 10 0 ADAERN C[C@H](O)C[C@@H](C)Nc1ncns1 228126923 344558578 /nfs/dbraw/zinc/55/85/78/344558578.db2.gz CPGMBQIVBQLNEX-RITPCOANSA-N 0 0 187.268 1.109 10 0 ADAERN C[C@H]1C[C@@H]1C1N=NC(=S)N1C 228196953 344559051 /nfs/dbraw/zinc/55/90/51/344559051.db2.gz RTBWQUHCBYHZBN-WHFBIAKZSA-N 0 0 169.253 1.227 10 0 ADAERN CC(C)[C@@H](C)C1N=NC(=S)N1C 228197139 344558686 /nfs/dbraw/zinc/55/86/86/344558686.db2.gz GUHULKRKHOQBAD-ZCFIWIBFSA-N 0 0 185.296 1.863 10 0 ADAERN Cc1cc(C2N=NC(=S)N2C)no1 228196410 344558698 /nfs/dbraw/zinc/55/86/98/344558698.db2.gz PLCZBNAWWMTGCW-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN C[C@H]1CC[C@@H](C2N=NC(=S)N2C)O1 228196252 344558710 /nfs/dbraw/zinc/55/87/10/344558710.db2.gz QBCOMRKHJZSENV-WDSKDSINSA-N 0 0 199.279 1.344 10 0 ADAERN CN1C(=S)N=NC1C1(C)CCCC1 228195703 344558719 /nfs/dbraw/zinc/55/87/19/344558719.db2.gz LOLYFPRQGXXGAC-UHFFFAOYSA-N 0 0 197.307 1.936 10 0 ADAERN C[C@@H]1CC[C@@H](C2N=NC(=S)N2C)O1 228196244 344558748 /nfs/dbraw/zinc/55/87/48/344558748.db2.gz QBCOMRKHJZSENV-RITPCOANSA-N 0 0 199.279 1.344 10 0 ADAERN C[C@@H]1C[C@H]1C1N=NC(=S)N1C 228196963 344558758 /nfs/dbraw/zinc/55/87/58/344558758.db2.gz RTBWQUHCBYHZBN-RFZPGFLSSA-N 0 0 169.253 1.227 10 0 ADAERN Cc1ccc(C2N=NC(=S)N2C)o1 228195568 344558762 /nfs/dbraw/zinc/55/87/62/344558762.db2.gz CCXJMLATHMISSH-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN C[C@@H]1C[C@@H]1C1N=NC(=S)N1C 228196941 344558772 /nfs/dbraw/zinc/55/87/72/344558772.db2.gz RTBWQUHCBYHZBN-UHNVWZDZSA-N 0 0 169.253 1.227 10 0 ADAERN COC1([C@H](O)C2CC2)CCCC1 228197153 344558776 /nfs/dbraw/zinc/55/87/76/344558776.db2.gz WMMLGTMNKIRUFP-SECBINFHSA-N 0 0 170.252 1.717 10 0 ADAERN CN1C(=S)N=NC1[C@]1(C)CCCO1 228196197 344558805 /nfs/dbraw/zinc/55/88/05/344558805.db2.gz UMGREBDATWUWTR-QMMMGPOBSA-N 0 0 199.279 1.129 10 0 ADAERN CCN1C(=S)N=NC1c1ccon1 228199679 344558844 /nfs/dbraw/zinc/55/88/44/344558844.db2.gz MLUPIHBOMQYOBJ-UHFFFAOYSA-N 0 0 196.235 1.242 10 0 ADAERN CCN1C(=S)N=NC1[C@@H]1CCOC1 228199104 344558868 /nfs/dbraw/zinc/55/88/68/344558868.db2.gz XIOAIHXDWXWMSQ-ZCFIWIBFSA-N 0 0 199.279 1.091 10 0 ADAERN CCN1C(=S)N=NC1[C@@H]1C[C@@H]1C 228199577 344558872 /nfs/dbraw/zinc/55/88/72/344558872.db2.gz JAHJWVMGSJREBQ-NTSWFWBYSA-N 0 0 183.280 1.710 10 0 ADAERN C[C@H]1CCO[C@H]1C1N=NC(=S)N1C 228196894 344558885 /nfs/dbraw/zinc/55/88/85/344558885.db2.gz JRLUIVIZTMSBJQ-NTSWFWBYSA-N 0 0 199.279 1.201 10 0 ADAERN CSCCC1N=NC(=S)N1C 228196394 344558930 /nfs/dbraw/zinc/55/89/30/344558930.db2.gz GVDSDWTVBJASTM-UHFFFAOYSA-N 0 0 189.309 1.009 10 0 ADAERN CN1C(=S)N=NC1[C@@]1(C)CCCO1 228196188 344558934 /nfs/dbraw/zinc/55/89/34/344558934.db2.gz UMGREBDATWUWTR-MRVPVSSYSA-N 0 0 199.279 1.129 10 0 ADAERN CC(C)[C@H](C)C1N=NC(=S)N1C 228197147 344558938 /nfs/dbraw/zinc/55/89/38/344558938.db2.gz GUHULKRKHOQBAD-LURJTMIESA-N 0 0 185.296 1.863 10 0 ADAERN CCN1C(=S)N=NC1[C@H]1CCOC1 228199114 344558961 /nfs/dbraw/zinc/55/89/61/344558961.db2.gz XIOAIHXDWXWMSQ-LURJTMIESA-N 0 0 199.279 1.091 10 0 ADAERN CN1C(=S)N=NC1[C@H]1CCCCO1 228197203 344558964 /nfs/dbraw/zinc/55/89/64/344558964.db2.gz CIMLZDYVPQPMMD-ZCFIWIBFSA-N 0 0 199.279 1.345 10 0 ADAERN CCN1C(=S)N=NC1[C@H]1C[C@H]1C 228199602 344558983 /nfs/dbraw/zinc/55/89/83/344558983.db2.gz JAHJWVMGSJREBQ-RITPCOANSA-N 0 0 183.280 1.710 10 0 ADAERN C[C@H]1CCO[C@@H]1C1N=NC(=S)N1C 228196877 344559004 /nfs/dbraw/zinc/55/90/04/344559004.db2.gz JRLUIVIZTMSBJQ-WDSKDSINSA-N 0 0 199.279 1.201 10 0 ADAERN C[C@@H]1CCO[C@@H]1C1N=NC(=S)N1C 228196870 344559009 /nfs/dbraw/zinc/55/90/09/344559009.db2.gz JRLUIVIZTMSBJQ-RITPCOANSA-N 0 0 199.279 1.201 10 0 ADAERN C[C@H]1C[C@H]1C1N=NC(=S)N1C 228196968 344559016 /nfs/dbraw/zinc/55/90/16/344559016.db2.gz RTBWQUHCBYHZBN-CRCLSJGQSA-N 0 0 169.253 1.227 10 0 ADAERN Cc1cc(C2N=NC(=S)N2C)on1 228197261 344559038 /nfs/dbraw/zinc/55/90/38/344559038.db2.gz PEPSNBMWQDUSBK-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN CCN1C(=S)N=NC1[C@H]1C[C@@H]1C 228199584 344559045 /nfs/dbraw/zinc/55/90/45/344559045.db2.gz JAHJWVMGSJREBQ-WDSKDSINSA-N 0 0 183.280 1.710 10 0 ADAERN COC1([C@@H](O)C2CC2)CCCC1 228197145 344559075 /nfs/dbraw/zinc/55/90/75/344559075.db2.gz WMMLGTMNKIRUFP-VIFPVBQESA-N 0 0 170.252 1.717 10 0 ADAERN CN1C(=S)N=NC1[C@@H]1CCCCO1 228197195 344559080 /nfs/dbraw/zinc/55/90/80/344559080.db2.gz CIMLZDYVPQPMMD-LURJTMIESA-N 0 0 199.279 1.345 10 0 ADAERN C[C@@H]1CCO[C@H]1C1N=NC(=S)N1C 228196884 344559082 /nfs/dbraw/zinc/55/90/82/344559082.db2.gz JRLUIVIZTMSBJQ-PHDIDXHHSA-N 0 0 199.279 1.201 10 0 ADAERN CCN1C(=S)N=NC1[C@@H]1C[C@H]1C 228199594 344559089 /nfs/dbraw/zinc/55/90/89/344559089.db2.gz JAHJWVMGSJREBQ-PHDIDXHHSA-N 0 0 183.280 1.710 10 0 ADAERN C[C@@H]1CC[C@H](C2N=NC(=S)N2C)O1 228196262 344559110 /nfs/dbraw/zinc/55/91/10/344559110.db2.gz QBCOMRKHJZSENV-PHDIDXHHSA-N 0 0 199.279 1.344 10 0 ADAERN Cn1c(CC(F)(F)F)n[nH]c1=S 228196296 344559114 /nfs/dbraw/zinc/55/91/14/344559114.db2.gz YDYYQYVHFJJIDO-UHFFFAOYSA-N 0 0 197.185 1.209 10 0 ADAERN CC(C)n1cnnc1-c1ccnn1C 228227338 344559241 /nfs/dbraw/zinc/55/92/41/344559241.db2.gz JNVGAPULIOLQRU-UHFFFAOYSA-N 0 0 191.238 1.260 10 0 ADAERN COC1N=NC(=S)N1C(C)C 228203536 344559266 /nfs/dbraw/zinc/55/92/66/344559266.db2.gz FADZXHHLMUVWBK-UHFFFAOYSA-N 0 0 173.241 1.156 10 0 ADAERN CC(C)n1cnnc1-c1cc[nH]n1 228227351 344559267 /nfs/dbraw/zinc/55/92/67/344559267.db2.gz RULBTNNIPYCGKF-UHFFFAOYSA-N 0 0 177.211 1.249 10 0 ADAERN CC(C)n1cnnc1[C@@H]1CCOC1 228227719 344559268 /nfs/dbraw/zinc/55/92/68/344559268.db2.gz VYJQJLWBFZYUBE-MRVPVSSYSA-N 0 0 181.239 1.363 10 0 ADAERN CC(C)n1cnnc1[C@H]1C[C@H]1C 228226958 344559271 /nfs/dbraw/zinc/55/92/71/344559271.db2.gz MDCKNCKKXKCBOT-SFYZADRCSA-N 0 0 165.240 1.982 10 0 ADAERN CC(C)n1cnnc1[C@H]1CCO[C@@H]1C 228227407 344559277 /nfs/dbraw/zinc/55/92/77/344559277.db2.gz QDTUCRJWQCZPOL-BDAKNGLRSA-N 0 0 195.266 1.751 10 0 ADAERN CC(C)n1cnnc1-c1ccccn1 228227167 344559304 /nfs/dbraw/zinc/55/93/04/344559304.db2.gz YNYCMFPUJRSRQX-UHFFFAOYSA-N 0 0 188.234 1.921 10 0 ADAERN COC1N=NC(=S)N1CC(C)C 228211454 344559336 /nfs/dbraw/zinc/55/93/36/344559336.db2.gz MHNYDZIDTKNPFD-UHFFFAOYSA-N 0 0 187.268 1.231 10 0 ADAERN CC(C)n1cnnc1CC1CC1 228226994 344559344 /nfs/dbraw/zinc/55/93/44/344559344.db2.gz TUXXVTSWLBCIHX-UHFFFAOYSA-N 0 0 165.240 1.812 10 0 ADAERN S=C1N=NC(CC2CC2)N1C1CC1 228208808 344559397 /nfs/dbraw/zinc/55/93/97/344559397.db2.gz CNGLABZPGRMTGU-UHFFFAOYSA-N 0 0 195.291 1.854 10 0 ADAERN CC(C)n1cnnc1C(F)F 228227854 344559410 /nfs/dbraw/zinc/55/94/10/344559410.db2.gz WVOVOQBUEPHPAN-UHFFFAOYSA-N 0 0 161.155 1.797 10 0 ADAERN CCOc1nncn1-c1ccccc1 228225221 344559426 /nfs/dbraw/zinc/55/94/26/344559426.db2.gz RKDBVSGCJKCYLY-UHFFFAOYSA-N 0 0 189.218 1.666 10 0 ADAERN CC(C)n1cnnc1[C@H]1CCOC1 228227725 344559432 /nfs/dbraw/zinc/55/94/32/344559432.db2.gz VYJQJLWBFZYUBE-QMMMGPOBSA-N 0 0 181.239 1.363 10 0 ADAERN Cc1oncc1C1N=NC(=S)N1C 228217211 344559446 /nfs/dbraw/zinc/55/94/46/344559446.db2.gz YZBCNORBKRFHPE-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN CC(C)n1cnnc1[C@H]1CCCO1 228227236 344559455 /nfs/dbraw/zinc/55/94/55/344559455.db2.gz PJUUXENGCVREPI-MRVPVSSYSA-N 0 0 181.239 1.711 10 0 ADAERN COC1N=NC(=S)N1C(C)(C)C 228209320 344559470 /nfs/dbraw/zinc/55/94/70/344559470.db2.gz HKFHNPMXZASJQR-UHFFFAOYSA-N 0 0 187.268 1.330 10 0 ADAERN CC(C)n1cnnc1CC(F)(F)F 228227147 344559480 /nfs/dbraw/zinc/55/94/80/344559480.db2.gz QPXZZLHMRJHSOT-UHFFFAOYSA-N 0 0 193.172 1.964 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C)ncc1[C@H](C)O 228214863 344559502 /nfs/dbraw/zinc/55/95/02/344559502.db2.gz ZDYYVNMTCMVGTB-CNUIFLNQSA-N 0 0 192.262 1.962 10 0 ADAERN CCOC1N=NC(=S)N1C(C)C 228205443 344559535 /nfs/dbraw/zinc/55/95/35/344559535.db2.gz VUNMYZPWKLXMCE-UHFFFAOYSA-N 0 0 187.268 1.546 10 0 ADAERN Cc1nc([C@H]2C[C@@H]2C)ncc1[C@H](C)O 228214874 344559550 /nfs/dbraw/zinc/55/95/50/344559550.db2.gz ZDYYVNMTCMVGTB-XVYDVKMFSA-N 0 0 192.262 1.962 10 0 ADAERN CC(C)N1C(=S)N=NC1[C@@H](C)O 228203930 344559556 /nfs/dbraw/zinc/55/95/56/344559556.db2.gz GPJZGHBTXWNGAP-RXMQYKEDSA-N 0 0 187.268 1.201 10 0 ADAERN CC(C)n1cnnc1[C@@H]1CCO[C@H]1C 228227413 344559565 /nfs/dbraw/zinc/55/95/65/344559565.db2.gz QDTUCRJWQCZPOL-DTWKUNHWSA-N 0 0 195.266 1.751 10 0 ADAERN CC(C)n1cnnc1-c1cnccn1 228227818 344559569 /nfs/dbraw/zinc/55/95/69/344559569.db2.gz RAZCKKFYHQHEIN-UHFFFAOYSA-N 0 0 189.222 1.316 10 0 ADAERN CCn1cnnc1-c1cnn(C)c1C 228232539 344559706 /nfs/dbraw/zinc/55/97/06/344559706.db2.gz GSLMFMXKKMQJLD-UHFFFAOYSA-N 0 0 191.238 1.007 10 0 ADAERN CCn1cnnc1C(F)(F)C(F)F 228232692 344559714 /nfs/dbraw/zinc/55/97/14/344559714.db2.gz BLVYLGGUJMLAPV-UHFFFAOYSA-N 0 0 197.135 1.655 10 0 ADAERN c1n[nH]cc1-c1nncn1C1CC1 228230856 344559718 /nfs/dbraw/zinc/55/97/18/344559718.db2.gz XDDQTMMTDMTIPZ-UHFFFAOYSA-N 0 0 175.195 1.003 10 0 ADAERN CCn1cnnc1[C@@H]1CCO[C@H]1C 228233090 344559721 /nfs/dbraw/zinc/55/97/21/344559721.db2.gz AYCSRANAGXZWAS-JGVFFNPUSA-N 0 0 181.239 1.190 10 0 ADAERN FC(F)c1nncn1C1CC1 228230181 344559728 /nfs/dbraw/zinc/55/97/28/344559728.db2.gz YABOXEAHQAWFDJ-UHFFFAOYSA-N 0 0 159.139 1.551 10 0 ADAERN CCn1cnnc1[C@H]1CCO[C@@H]1C 228233084 344559735 /nfs/dbraw/zinc/55/97/35/344559735.db2.gz AYCSRANAGXZWAS-SFYZADRCSA-N 0 0 181.239 1.190 10 0 ADAERN c1nc(-c2nncn2C2CC2)cs1 228229553 344559737 /nfs/dbraw/zinc/55/97/37/344559737.db2.gz SEUZGNXVGUDLOQ-UHFFFAOYSA-N 0 0 192.247 1.737 10 0 ADAERN CC(C)(C)n1cnnc1[C@H]1CCCO1 228231307 344559739 /nfs/dbraw/zinc/55/97/39/344559739.db2.gz PEBKCCOWYJGQNI-MRVPVSSYSA-N 0 0 195.266 1.885 10 0 ADAERN CCn1cnnc1[C@@]1(C)CCCO1 228232673 344559743 /nfs/dbraw/zinc/55/97/43/344559743.db2.gz KSPGPSQRDUDYKH-SECBINFHSA-N 0 0 181.239 1.324 10 0 ADAERN CC(C)n1cnnc1[C@H]1OCC[C@H]1C 228228978 344559749 /nfs/dbraw/zinc/55/97/49/344559749.db2.gz MVJYHBMHOLQVPL-BDAKNGLRSA-N 0 0 195.266 1.957 10 0 ADAERN c1cc(-c2nncn2C2CC2)n[nH]1 228229640 344559755 /nfs/dbraw/zinc/55/97/55/344559755.db2.gz ASCXGRVROOYGHW-UHFFFAOYSA-N 0 0 175.195 1.003 10 0 ADAERN CC(C)n1cnnc1-c1ccncc1 228228350 344559761 /nfs/dbraw/zinc/55/97/61/344559761.db2.gz QNRBNZHPXRCIFH-UHFFFAOYSA-N 0 0 188.234 1.921 10 0 ADAERN CC(C)(C)n1cnnc1CC1CC1 228231100 344559764 /nfs/dbraw/zinc/55/97/64/344559764.db2.gz SWGNNJFBKGETSV-UHFFFAOYSA-N 0 0 179.267 1.986 10 0 ADAERN c1nnc(C[C@H]2CCCO2)n1C1CC1 228230536 344559776 /nfs/dbraw/zinc/55/97/76/344559776.db2.gz RRORKAMPUOPREQ-SECBINFHSA-N 0 0 193.250 1.335 10 0 ADAERN Cc1n[nH]cc1-c1nncn1C(C)C 228228432 344559781 /nfs/dbraw/zinc/55/97/81/344559781.db2.gz RQHLTQPWBJTUQM-UHFFFAOYSA-N 0 0 191.238 1.558 10 0 ADAERN CCn1cnnc1-c1cc(C)nn1C 228233461 344559786 /nfs/dbraw/zinc/55/97/86/344559786.db2.gz DQSPIZZTHKCDHM-UHFFFAOYSA-N 0 0 191.238 1.007 10 0 ADAERN CCn1cnnc1-c1ncccc1C 228232933 344559789 /nfs/dbraw/zinc/55/97/89/344559789.db2.gz PBDSNNYQKIOWMP-UHFFFAOYSA-N 0 0 188.234 1.668 10 0 ADAERN c1cnc(-c2nncn2C2CC2)cn1 228230151 344559795 /nfs/dbraw/zinc/55/97/95/344559795.db2.gz HQYWURGIRLBXTO-UHFFFAOYSA-N 0 0 187.206 1.070 10 0 ADAERN c1nnc([C@H]2CCOC2)n1C1CC1 228230053 344559798 /nfs/dbraw/zinc/55/97/98/344559798.db2.gz DHAYWAJLUZYLFA-ZETCQYMHSA-N 0 0 179.223 1.117 10 0 ADAERN CC(C)n1cnnc1[C@@H]1OCC[C@H]1C 228228971 344559800 /nfs/dbraw/zinc/55/98/00/344559800.db2.gz MVJYHBMHOLQVPL-RKDXNWHRSA-N 0 0 195.266 1.957 10 0 ADAERN CCn1cnnc1C(F)F 228233665 344559812 /nfs/dbraw/zinc/55/98/12/344559812.db2.gz BJUYEXHLBODRFW-UHFFFAOYSA-N 0 0 147.128 1.236 10 0 ADAERN CCn1cnnc1CC1CC1 228232513 344559814 /nfs/dbraw/zinc/55/98/14/344559814.db2.gz GUCMKNRTZATTKA-UHFFFAOYSA-N 0 0 151.213 1.251 10 0 ADAERN CC(C)n1cnnc1-c1cn[nH]c1 228229026 344559817 /nfs/dbraw/zinc/55/98/17/344559817.db2.gz CFWMJPNNKSCUDJ-UHFFFAOYSA-N 0 0 177.211 1.249 10 0 ADAERN CC(C)(C)n1cnnc1-c1cn[nH]c1 228232263 344559821 /nfs/dbraw/zinc/55/98/21/344559821.db2.gz PTDLALIJGYNCFW-UHFFFAOYSA-N 0 0 191.238 1.423 10 0 ADAERN c1nnc([C@H]2CCCO2)n1C1CC1 228229539 344559824 /nfs/dbraw/zinc/55/98/24/344559824.db2.gz QBOJKFPSIQXEGY-MRVPVSSYSA-N 0 0 179.223 1.465 10 0 ADAERN CC(C)n1cnnc1-c1cnns1 228229112 344559829 /nfs/dbraw/zinc/55/98/29/344559829.db2.gz QAJISADJSUQMAA-UHFFFAOYSA-N 0 0 195.251 1.378 10 0 ADAERN CC(C)n1cnnc1[C@@H]1OCC[C@@H]1C 228228955 344559832 /nfs/dbraw/zinc/55/98/32/344559832.db2.gz MVJYHBMHOLQVPL-DTWKUNHWSA-N 0 0 195.266 1.957 10 0 ADAERN c1nnc(CC2CC2)n1C1CC1 228229283 344559838 /nfs/dbraw/zinc/55/98/38/344559838.db2.gz HCASZNHEZXJXMC-UHFFFAOYSA-N 0 0 163.224 1.566 10 0 ADAERN c1nnc([C@@H]2CCCO2)n1C1CC1 228229532 344559841 /nfs/dbraw/zinc/55/98/41/344559841.db2.gz QBOJKFPSIQXEGY-QMMMGPOBSA-N 0 0 179.223 1.465 10 0 ADAERN CCn1cnnc1C[C@@H]1CCCCO1 228233374 344559850 /nfs/dbraw/zinc/55/98/50/344559850.db2.gz DMIOCLPLDPZKLF-VIFPVBQESA-N 0 0 195.266 1.410 10 0 ADAERN CCn1cnnc1-c1ccncc1F 228233255 344559856 /nfs/dbraw/zinc/55/98/56/344559856.db2.gz RVQSCUKWDLKZLY-UHFFFAOYSA-N 0 0 192.197 1.499 10 0 ADAERN c1nnc([C@@H]2CCCOC2)n1C1CC1 228230562 344559858 /nfs/dbraw/zinc/55/98/58/344559858.db2.gz BYXUKZRXNXBEAD-MRVPVSSYSA-N 0 0 193.250 1.507 10 0 ADAERN CCOc1nncn1C(C)C 228228270 344559860 /nfs/dbraw/zinc/55/98/60/344559860.db2.gz XZPUGBJTTWWOGI-UHFFFAOYSA-N 0 0 155.201 1.258 10 0 ADAERN FC(F)(F)Cc1nncn1C1CC1 228229446 344559862 /nfs/dbraw/zinc/55/98/62/344559862.db2.gz RDFZDZWUEHSSSN-UHFFFAOYSA-N 0 0 191.156 1.718 10 0 ADAERN CCn1cnnc1-c1scnc1C 228233749 344559864 /nfs/dbraw/zinc/55/98/64/344559864.db2.gz HAXRERFYKOGSID-UHFFFAOYSA-N 0 0 194.263 1.730 10 0 ADAERN CC(C)(C)n1cnnc1[C@@H]1CCOC1 228231687 344559866 /nfs/dbraw/zinc/55/98/66/344559866.db2.gz RMZPUQBHLYJVLQ-MRVPVSSYSA-N 0 0 195.266 1.537 10 0 ADAERN CCn1cnnc1-c1snnc1C 228233182 344559869 /nfs/dbraw/zinc/55/98/69/344559869.db2.gz IZFZQSWZEXKEBO-UHFFFAOYSA-N 0 0 195.251 1.125 10 0 ADAERN c1nnc(C[C@@H]2CCCO2)n1C1CC1 228230526 344559872 /nfs/dbraw/zinc/55/98/72/344559872.db2.gz RRORKAMPUOPREQ-VIFPVBQESA-N 0 0 193.250 1.335 10 0 ADAERN CCn1cnnc1[C@]1(C)CCCO1 228232680 344559873 /nfs/dbraw/zinc/55/98/73/344559873.db2.gz KSPGPSQRDUDYKH-VIFPVBQESA-N 0 0 181.239 1.324 10 0 ADAERN CCn1cnnc1Cc1ccncc1 228233491 344559875 /nfs/dbraw/zinc/55/98/75/344559875.db2.gz RCKCNHJXMCFCIF-UHFFFAOYSA-N 0 0 188.234 1.284 10 0 ADAERN CCn1cnnc1C[C@H]1CCCCO1 228233384 344559882 /nfs/dbraw/zinc/55/98/82/344559882.db2.gz DMIOCLPLDPZKLF-SECBINFHSA-N 0 0 195.266 1.410 10 0 ADAERN COc1nncn1C(C)(C)C 228231930 344559884 /nfs/dbraw/zinc/55/98/84/344559884.db2.gz RREQSWSQTLEKII-UHFFFAOYSA-N 0 0 155.201 1.042 10 0 ADAERN CC(C)(C)n1cnnc1C(F)F 228231792 344559885 /nfs/dbraw/zinc/55/98/85/344559885.db2.gz ZWODRAGNTGBHBN-UHFFFAOYSA-N 0 0 175.182 1.971 10 0 ADAERN CC(C)(C)n1cnnc1[C@H]1CCOC1 228231695 344559888 /nfs/dbraw/zinc/55/98/88/344559888.db2.gz RMZPUQBHLYJVLQ-QMMMGPOBSA-N 0 0 195.266 1.537 10 0 ADAERN CCn1cnnc1C(F)(F)F 228232748 344559889 /nfs/dbraw/zinc/55/98/89/344559889.db2.gz KGJZEBRXGMBYTE-UHFFFAOYSA-N 0 0 165.118 1.317 10 0 ADAERN CCn1cnnc1-c1ocnc1C 228233364 344559891 /nfs/dbraw/zinc/55/98/91/344559891.db2.gz ODNVMXBUKSUDCV-UHFFFAOYSA-N 0 0 178.195 1.261 10 0 ADAERN c1nnc([C@H]2CCCOC2)n1C1CC1 228230570 344559893 /nfs/dbraw/zinc/55/98/93/344559893.db2.gz BYXUKZRXNXBEAD-QMMMGPOBSA-N 0 0 193.250 1.507 10 0 ADAERN CC(C)n1cnnc1C1CC1 228229056 344559894 /nfs/dbraw/zinc/55/98/94/344559894.db2.gz LHJIEMWYOPANDG-UHFFFAOYSA-N 0 0 151.213 1.736 10 0 ADAERN c1nnsc1-c1nncn1C1CC1 228230932 344559904 /nfs/dbraw/zinc/55/99/04/344559904.db2.gz XATCBAPDKMKBSI-UHFFFAOYSA-N 0 0 193.235 1.132 10 0 ADAERN CCn1cnnc1-c1cncc(C)c1 228232525 344559907 /nfs/dbraw/zinc/55/99/07/344559907.db2.gz UEQJJAUYECMVKT-UHFFFAOYSA-N 0 0 188.234 1.668 10 0 ADAERN CCOc1nncn1C(C)(C)C 228232087 344559909 /nfs/dbraw/zinc/55/99/09/344559909.db2.gz ZOTLJUCOJIBIQP-UHFFFAOYSA-N 0 0 169.228 1.432 10 0 ADAERN CC(C)n1cnnc1[C@H]1OCC[C@@H]1C 228228961 344559910 /nfs/dbraw/zinc/55/99/10/344559910.db2.gz MVJYHBMHOLQVPL-IUCAKERBSA-N 0 0 195.266 1.957 10 0 ADAERN c1nnc([C@@H]2CCOC2)n1C1CC1 228230044 344559912 /nfs/dbraw/zinc/55/99/12/344559912.db2.gz DHAYWAJLUZYLFA-SSDOTTSWSA-N 0 0 179.223 1.117 10 0 ADAERN CC(C)(C)n1cnnc1[C@@H]1CCCO1 228231298 344559917 /nfs/dbraw/zinc/55/99/17/344559917.db2.gz PEBKCCOWYJGQNI-QMMMGPOBSA-N 0 0 195.266 1.885 10 0 ADAERN c1cncc(-c2nncn2C2CC2)c1 228230408 344559919 /nfs/dbraw/zinc/55/99/19/344559919.db2.gz NGWWGWBKLAGCGF-UHFFFAOYSA-N 0 0 186.218 1.675 10 0 ADAERN CCn1cnnc1[C@@H]1CCO[C@@H]1C 228233076 344559921 /nfs/dbraw/zinc/55/99/21/344559921.db2.gz AYCSRANAGXZWAS-HTQZYQBOSA-N 0 0 181.239 1.190 10 0 ADAERN CCn1cnnc1[C@H]1CCO[C@H]1C 228233099 344559923 /nfs/dbraw/zinc/55/99/23/344559923.db2.gz AYCSRANAGXZWAS-YUMQZZPRSA-N 0 0 181.239 1.190 10 0 ADAERN CCn1cnnc1Cc1cccnc1 228232945 344559924 /nfs/dbraw/zinc/55/99/24/344559924.db2.gz NGLOEJHKGSJKBG-UHFFFAOYSA-N 0 0 188.234 1.284 10 0 ADAERN CCCn1cnnc1[C@@H]1OCC[C@@H]1C 228236358 344560115 /nfs/dbraw/zinc/56/01/15/344560115.db2.gz HZBLGKWYYLVVFS-DTWKUNHWSA-N 0 0 195.266 1.786 10 0 ADAERN Cn1cnnc1C1(C)CCCC1 228237141 344560125 /nfs/dbraw/zinc/56/01/25/344560125.db2.gz KYLYCZBSILCSNP-UHFFFAOYSA-N 0 0 165.240 1.647 10 0 ADAERN CCn1cnnc1[C@H]1OCC[C@@H]1C 228234435 344560128 /nfs/dbraw/zinc/56/01/28/344560128.db2.gz YIXJGKUXVIVWNT-YUMQZZPRSA-N 0 0 181.239 1.396 10 0 ADAERN CCCn1cnnc1C1CCOCC1 228236211 344560130 /nfs/dbraw/zinc/56/01/30/344560130.db2.gz VCGRNDRKUSHJKO-UHFFFAOYSA-N 0 0 195.266 1.582 10 0 ADAERN CCn1cnnc1C1CC1 228234525 344560139 /nfs/dbraw/zinc/56/01/39/344560139.db2.gz BOBXDTXFPNHSLF-UHFFFAOYSA-N 0 0 137.186 1.175 10 0 ADAERN CCCn1cnnc1[C@H]1C[C@@H]1C 228234707 344560146 /nfs/dbraw/zinc/56/01/46/344560146.db2.gz MLKUIFJQEAOVRD-YUMQZZPRSA-N 0 0 165.240 1.812 10 0 ADAERN CCCn1cnnc1[C@@H]1CCO[C@@H]1C 228235235 344560150 /nfs/dbraw/zinc/56/01/50/344560150.db2.gz YWIACUYWMVZIRT-RKDXNWHRSA-N 0 0 195.266 1.581 10 0 ADAERN Cn1cnnc1[C@@H]1CCCCO1 228236861 344560160 /nfs/dbraw/zinc/56/01/60/344560160.db2.gz LYZCXUPCQMOZHT-ZETCQYMHSA-N 0 0 167.212 1.057 10 0 ADAERN CCn1cnnc1[C@@H]1OCC[C@H]1C 228234443 344560163 /nfs/dbraw/zinc/56/01/63/344560163.db2.gz YIXJGKUXVIVWNT-HTQZYQBOSA-N 0 0 181.239 1.396 10 0 ADAERN Cc1ccc(-c2nncn2C)c(C)n1 228236609 344560165 /nfs/dbraw/zinc/56/01/65/344560165.db2.gz LSTSJMMWFZOZMQ-UHFFFAOYSA-N 0 0 188.234 1.494 10 0 ADAERN CCn1cnnc1-c1csc(C)n1 228234557 344560168 /nfs/dbraw/zinc/56/01/68/344560168.db2.gz JERWBNOOVQVJOR-UHFFFAOYSA-N 0 0 194.263 1.730 10 0 ADAERN CCCn1cnnc1-c1cscn1 228235077 344560172 /nfs/dbraw/zinc/56/01/72/344560172.db2.gz OADOUPFXCAIFDP-UHFFFAOYSA-N 0 0 194.263 1.812 10 0 ADAERN CCn1cnnc1-c1cnc(C)cn1 228234003 344560187 /nfs/dbraw/zinc/56/01/87/344560187.db2.gz LRZATZOLSYMPAY-UHFFFAOYSA-N 0 0 189.222 1.063 10 0 ADAERN CCCn1cnnc1[C@@H]1CCO[C@H]1C 228235255 344560191 /nfs/dbraw/zinc/56/01/91/344560191.db2.gz YWIACUYWMVZIRT-DTWKUNHWSA-N 0 0 195.266 1.581 10 0 ADAERN CCCn1cnnc1[C@H]1OCC[C@H]1C 228236384 344560194 /nfs/dbraw/zinc/56/01/94/344560194.db2.gz HZBLGKWYYLVVFS-BDAKNGLRSA-N 0 0 195.266 1.786 10 0 ADAERN CCCn1cnnc1[C@H]1CCCCO1 228234919 344560198 /nfs/dbraw/zinc/56/01/98/344560198.db2.gz JKXBDAJETAXHBM-SECBINFHSA-N 0 0 195.266 1.930 10 0 ADAERN CCn1nc(C)cc1-c1nncn1C 228236636 344560201 /nfs/dbraw/zinc/56/02/01/344560201.db2.gz VWVWIJJHQYDCTI-UHFFFAOYSA-N 0 0 191.238 1.007 10 0 ADAERN CCC(C)(C)c1nncn1C 228236748 344560208 /nfs/dbraw/zinc/56/02/08/344560208.db2.gz HRPAFJMYYXIKRV-UHFFFAOYSA-N 0 0 153.229 1.503 10 0 ADAERN CCCn1cnnc1C(F)(F)F 228234949 344560210 /nfs/dbraw/zinc/56/02/10/344560210.db2.gz OFGSXLYRWNGGED-UHFFFAOYSA-N 0 0 179.145 1.707 10 0 ADAERN Cn1cnnc1[C@@H]1Cc2ccccc21 228236894 344560213 /nfs/dbraw/zinc/56/02/13/344560213.db2.gz BNJZWUQWXWAIAU-SNVBAGLBSA-N 0 0 185.230 1.503 10 0 ADAERN Cn1cnnc1Cc1ccccc1F 228237063 344560217 /nfs/dbraw/zinc/56/02/17/344560217.db2.gz KGVSISDAGCEQLF-UHFFFAOYSA-N 0 0 191.209 1.545 10 0 ADAERN CCn1cnnc1Cc1ccccc1 228234579 344560221 /nfs/dbraw/zinc/56/02/21/344560221.db2.gz CZFWNTWSHGYMNK-UHFFFAOYSA-N 0 0 187.246 1.889 10 0 ADAERN CCCn1cnnc1[C@H]1CCCOC1 228236109 344560224 /nfs/dbraw/zinc/56/02/24/344560224.db2.gz AVLUUAQKZJZECF-VIFPVBQESA-N 0 0 195.266 1.582 10 0 ADAERN Cc1ccc(F)cc1-c1nncn1C 228237101 344560227 /nfs/dbraw/zinc/56/02/27/344560227.db2.gz YEELPVNSTDKEHW-UHFFFAOYSA-N 0 0 191.209 1.930 10 0 ADAERN Cc1cscc1-c1nncn1C 228237184 344560230 /nfs/dbraw/zinc/56/02/30/344560230.db2.gz VKUXTMDBVBAJCT-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN CC(C)CCc1nncn1C 228237041 344560235 /nfs/dbraw/zinc/56/02/35/344560235.db2.gz UREYRGYHANUQJC-UHFFFAOYSA-N 0 0 153.229 1.404 10 0 ADAERN CCn1cnnc1C1CCC1 228233976 344560238 /nfs/dbraw/zinc/56/02/38/344560238.db2.gz JDAIHNAODUAHIM-UHFFFAOYSA-N 0 0 151.213 1.566 10 0 ADAERN CCCn1cnnc1[C@H]1C[C@H]1C 228234726 344560241 /nfs/dbraw/zinc/56/02/41/344560241.db2.gz MLKUIFJQEAOVRD-SFYZADRCSA-N 0 0 165.240 1.812 10 0 ADAERN CCCn1cnnc1[C@H]1CCCO1 228235059 344560251 /nfs/dbraw/zinc/56/02/51/344560251.db2.gz XGFGMWGTMDSUNA-MRVPVSSYSA-N 0 0 181.239 1.540 10 0 ADAERN Cn1cnnc1-c1ccncc1F 228237462 344560253 /nfs/dbraw/zinc/56/02/53/344560253.db2.gz DYESYIDQDWLAFK-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN CCCn1cnnc1-c1cn[nH]c1 228236432 344560259 /nfs/dbraw/zinc/56/02/59/344560259.db2.gz NKWKSQUUAJFKJN-UHFFFAOYSA-N 0 0 177.211 1.078 10 0 ADAERN CCCn1cnnc1[C@H]1CCO[C@H]1C 228235260 344560263 /nfs/dbraw/zinc/56/02/63/344560263.db2.gz YWIACUYWMVZIRT-IUCAKERBSA-N 0 0 195.266 1.581 10 0 ADAERN Cn1cnnc1CCC(F)(F)F 228237151 344560275 /nfs/dbraw/zinc/56/02/75/344560275.db2.gz MPPOAELHAUGMCI-UHFFFAOYSA-N 0 0 179.145 1.310 10 0 ADAERN CCCn1cnnc1-c1ccncc1 228236222 344560282 /nfs/dbraw/zinc/56/02/82/344560282.db2.gz STGMPTVBQWYAQA-UHFFFAOYSA-N 0 0 188.234 1.750 10 0 ADAERN CCCn1cnnc1[C@H]1OCC[C@@H]1C 228236366 344560285 /nfs/dbraw/zinc/56/02/85/344560285.db2.gz HZBLGKWYYLVVFS-IUCAKERBSA-N 0 0 195.266 1.786 10 0 ADAERN CCn1cnnc1[C@H]1OCC[C@H]1C 228234451 344560287 /nfs/dbraw/zinc/56/02/87/344560287.db2.gz YIXJGKUXVIVWNT-SFYZADRCSA-N 0 0 181.239 1.396 10 0 ADAERN CCn1cnnc1Cc1ccsc1 228234028 344560289 /nfs/dbraw/zinc/56/02/89/344560289.db2.gz JDZZAVCBCMYYRG-UHFFFAOYSA-N 0 0 193.275 1.950 10 0 ADAERN Cn1cnnc1[C@H]1CCCCO1 228236872 344560291 /nfs/dbraw/zinc/56/02/91/344560291.db2.gz LYZCXUPCQMOZHT-SSDOTTSWSA-N 0 0 167.212 1.057 10 0 ADAERN CCCn1cnnc1C1CCC1 228235975 344560307 /nfs/dbraw/zinc/56/03/07/344560307.db2.gz UGDZOVUHOHUOBC-UHFFFAOYSA-N 0 0 165.240 1.956 10 0 ADAERN CCn1cnnc1C[C@H]1CCCO1 228234096 344560314 /nfs/dbraw/zinc/56/03/14/344560314.db2.gz WVGHEGXDQCLATN-MRVPVSSYSA-N 0 0 181.239 1.020 10 0 ADAERN CCCn1cnnc1-c1ccnn1C 228235180 344560318 /nfs/dbraw/zinc/56/03/18/344560318.db2.gz ZIZSUZMSDHHZKV-UHFFFAOYSA-N 0 0 191.238 1.089 10 0 ADAERN CCCn1cnnc1[C@H]1CCO[C@@H]1C 228235245 344560321 /nfs/dbraw/zinc/56/03/21/344560321.db2.gz YWIACUYWMVZIRT-BDAKNGLRSA-N 0 0 195.266 1.581 10 0 ADAERN CCCn1cnnc1[C@@H]1CCCCO1 228234911 344560324 /nfs/dbraw/zinc/56/03/24/344560324.db2.gz JKXBDAJETAXHBM-VIFPVBQESA-N 0 0 195.266 1.930 10 0 ADAERN CCCn1cnnc1[C@@H]1C[C@@H]1C 228234701 344560328 /nfs/dbraw/zinc/56/03/28/344560328.db2.gz MLKUIFJQEAOVRD-JGVFFNPUSA-N 0 0 165.240 1.812 10 0 ADAERN CCCn1cnnc1[C@@H]1OCC[C@H]1C 228236376 344560335 /nfs/dbraw/zinc/56/03/35/344560335.db2.gz HZBLGKWYYLVVFS-RKDXNWHRSA-N 0 0 195.266 1.786 10 0 ADAERN CCn1cnnc1C[C@@H]1CCCO1 228234084 344560342 /nfs/dbraw/zinc/56/03/42/344560342.db2.gz WVGHEGXDQCLATN-QMMMGPOBSA-N 0 0 181.239 1.020 10 0 ADAERN CCn1cnnc1[C@@H]1OCC[C@@H]1C 228234426 344560348 /nfs/dbraw/zinc/56/03/48/344560348.db2.gz YIXJGKUXVIVWNT-JGVFFNPUSA-N 0 0 181.239 1.396 10 0 ADAERN Cn1cnnc1[C@H]1Cc2ccccc21 228236902 344560360 /nfs/dbraw/zinc/56/03/60/344560360.db2.gz BNJZWUQWXWAIAU-JTQLQIEISA-N 0 0 185.230 1.503 10 0 ADAERN CCCn1cnnc1-c1ccccn1 228234966 344560363 /nfs/dbraw/zinc/56/03/63/344560363.db2.gz QTJJXKGMMIDYHV-UHFFFAOYSA-N 0 0 188.234 1.750 10 0 ADAERN CCCn1cnnc1[C@@H]1CCCO1 228235050 344560365 /nfs/dbraw/zinc/56/03/65/344560365.db2.gz XGFGMWGTMDSUNA-QMMMGPOBSA-N 0 0 181.239 1.540 10 0 ADAERN Cn1cnnc1C(F)(F)C(F)F 228236850 344560368 /nfs/dbraw/zinc/56/03/68/344560368.db2.gz FDMPUTMBLXAFFU-UHFFFAOYSA-N 0 0 183.108 1.172 10 0 ADAERN CCCn1cnnc1-c1csnn1 228235562 344560371 /nfs/dbraw/zinc/56/03/71/344560371.db2.gz LDGXNSHCCAEJGU-UHFFFAOYSA-N 0 0 195.251 1.207 10 0 ADAERN Cc1cncc(-c2nncn2C)c1 228236693 344560377 /nfs/dbraw/zinc/56/03/77/344560377.db2.gz GLFYBOBXGYGQFI-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN Cn1cnnc1-c1cccc(F)c1F 228236678 344560384 /nfs/dbraw/zinc/56/03/84/344560384.db2.gz QONYERQGNVMOQG-UHFFFAOYSA-N 0 0 195.172 1.760 10 0 ADAERN CCn1cnnc1-c1oc(C)nc1C 228234381 344560387 /nfs/dbraw/zinc/56/03/87/344560387.db2.gz RGJBURGQDHLUNH-UHFFFAOYSA-N 0 0 192.222 1.570 10 0 ADAERN CCCn1cnnc1[C@@H]1C[C@H]1C 228234718 344560389 /nfs/dbraw/zinc/56/03/89/344560389.db2.gz MLKUIFJQEAOVRD-HTQZYQBOSA-N 0 0 165.240 1.812 10 0 ADAERN CCCn1cnnc1[C@@H]1CCCOC1 228236103 344560395 /nfs/dbraw/zinc/56/03/95/344560395.db2.gz AVLUUAQKZJZECF-SECBINFHSA-N 0 0 195.266 1.582 10 0 ADAERN CCn1cnnc1-c1cccc(C)n1 228234326 344560397 /nfs/dbraw/zinc/56/03/97/344560397.db2.gz SXMWLAMSXBRPML-UHFFFAOYSA-N 0 0 188.234 1.668 10 0 ADAERN CCCn1cnnc1-c1cnns1 228236502 344560405 /nfs/dbraw/zinc/56/04/05/344560405.db2.gz FGDLLIVMYNZWQX-UHFFFAOYSA-N 0 0 195.251 1.207 10 0 ADAERN C[C@H]1CC[C@H](c2nncn2C)O1 228238115 344560564 /nfs/dbraw/zinc/56/05/64/344560564.db2.gz IRLVGWOYXUCPDS-NKWVEPMBSA-N 0 0 167.212 1.055 10 0 ADAERN CC(C)Cn1cnnc1C(F)F 228239962 344560565 /nfs/dbraw/zinc/56/05/65/344560565.db2.gz OQYMFGDGTFPQJR-UHFFFAOYSA-N 0 0 175.182 1.872 10 0 ADAERN Cn1cnnc1CCC1CCCC1 228237508 344560568 /nfs/dbraw/zinc/56/05/68/344560568.db2.gz PKYICENQLCBCAW-UHFFFAOYSA-N 0 0 179.267 1.938 10 0 ADAERN Cc1ccc(-c2nncn2C)s1 228238151 344560573 /nfs/dbraw/zinc/56/05/73/344560573.db2.gz WQJSOCLBPDIZPN-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN Cn1cnnc1-c1cc(F)cc(F)c1 228238613 344560581 /nfs/dbraw/zinc/56/05/81/344560581.db2.gz JBHFEQDZJFHGAY-UHFFFAOYSA-N 0 0 195.172 1.760 10 0 ADAERN CC(C)[C@H](C)c1nncn1C 228239134 344560599 /nfs/dbraw/zinc/56/05/99/344560599.db2.gz OTCKSQHNGOSZEC-ZETCQYMHSA-N 0 0 153.229 1.575 10 0 ADAERN CC(C)Cn1cnnc1[C@@H]1CCCO1 228239482 344560601 /nfs/dbraw/zinc/56/06/01/344560601.db2.gz UBDHAUZKTMZUCO-VIFPVBQESA-N 0 0 195.266 1.786 10 0 ADAERN Cn1cnnc1-c1ccc(F)c(F)c1 228238276 344560613 /nfs/dbraw/zinc/56/06/13/344560613.db2.gz LPLWWZJHJKVASP-UHFFFAOYSA-N 0 0 195.172 1.760 10 0 ADAERN CC(C)Cn1cnnc1[C@H]1CCCO1 228239488 344560617 /nfs/dbraw/zinc/56/06/17/344560617.db2.gz UBDHAUZKTMZUCO-SECBINFHSA-N 0 0 195.266 1.786 10 0 ADAERN C[C@H]1CC[C@@H](c2nncn2C)O1 228238100 344560627 /nfs/dbraw/zinc/56/06/27/344560627.db2.gz IRLVGWOYXUCPDS-BQBZGAKWSA-N 0 0 167.212 1.055 10 0 ADAERN Cc1cccc(-c2nncn2C)c1F 228239110 344560634 /nfs/dbraw/zinc/56/06/34/344560634.db2.gz ANNBKYSXSJMXJO-UHFFFAOYSA-N 0 0 191.209 1.930 10 0 ADAERN Cc1ncsc1-c1nncn1C 228237955 344560661 /nfs/dbraw/zinc/56/06/61/344560661.db2.gz GPXQSFOMNBBCKP-UHFFFAOYSA-N 0 0 180.236 1.247 10 0 ADAERN Cn1cnnc1CC1CCCC1 228237833 344560678 /nfs/dbraw/zinc/56/06/78/344560678.db2.gz WIRLVNXXVNSKNV-UHFFFAOYSA-N 0 0 165.240 1.548 10 0 ADAERN CC(C)Cn1cnnc1[C@@H]1CCOC1 228239858 344560685 /nfs/dbraw/zinc/56/06/85/344560685.db2.gz WSCJSQFETRBTPT-SECBINFHSA-N 0 0 195.266 1.438 10 0 ADAERN CC[C@@H](C)c1nncn1C 228237604 344560730 /nfs/dbraw/zinc/56/07/30/344560730.db2.gz SYEAILFSIKONFR-ZCFIWIBFSA-N 0 0 139.202 1.329 10 0 ADAERN CCC[C@H](C)c1nncn1C 228237908 344560762 /nfs/dbraw/zinc/56/07/62/344560762.db2.gz GWUAYHQVMFHCCU-ZETCQYMHSA-N 0 0 153.229 1.719 10 0 ADAERN Cc1ccsc1-c1nncn1C 228237819 344560774 /nfs/dbraw/zinc/56/07/74/344560774.db2.gz IVHZIFHMZACUOE-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN CCC[C@@H](C)c1nncn1C 228237900 344560787 /nfs/dbraw/zinc/56/07/87/344560787.db2.gz GWUAYHQVMFHCCU-SSDOTTSWSA-N 0 0 153.229 1.719 10 0 ADAERN Cc1ccc(-c2nncn2C)c(F)c1 228238479 344560789 /nfs/dbraw/zinc/56/07/89/344560789.db2.gz YOCWXYPBRAUBNA-UHFFFAOYSA-N 0 0 191.209 1.930 10 0 ADAERN C/C=C\C(=O)N1CCO[C@@H]2CCC[C@H]21 228242101 344560799 /nfs/dbraw/zinc/56/07/99/344560799.db2.gz JNJMTBKZYIPIRI-AXBRGNRRSA-N 0 0 195.262 1.342 10 0 ADAERN Cn1cnnc1-c1cc(F)ccc1F 228238288 344560806 /nfs/dbraw/zinc/56/08/06/344560806.db2.gz JDHUCTKCHKOPEU-UHFFFAOYSA-N 0 0 195.172 1.760 10 0 ADAERN Cn1cnnc1CC1CCCCC1 228237655 344560861 /nfs/dbraw/zinc/56/08/61/344560861.db2.gz VOFHIJBTKHCNKF-UHFFFAOYSA-N 0 0 179.267 1.938 10 0 ADAERN CC[C@H](C)c1nncn1C 228237615 344560864 /nfs/dbraw/zinc/56/08/64/344560864.db2.gz SYEAILFSIKONFR-LURJTMIESA-N 0 0 139.202 1.329 10 0 ADAERN Cc1ccccc1Cc1nncn1C 228238830 344560873 /nfs/dbraw/zinc/56/08/73/344560873.db2.gz WWIBPRZTNDVPDM-UHFFFAOYSA-N 0 0 187.246 1.714 10 0 ADAERN Cc1ncccc1-c1nncn1C 228237876 344560882 /nfs/dbraw/zinc/56/08/82/344560882.db2.gz IVRCXLHQOGTDPV-UHFFFAOYSA-N 0 0 174.207 1.186 10 0 ADAERN CC(C)Cn1cnnc1[C@H]1CCOC1 228239866 344560886 /nfs/dbraw/zinc/56/08/86/344560886.db2.gz WSCJSQFETRBTPT-VIFPVBQESA-N 0 0 195.266 1.438 10 0 ADAERN C[C@@H]1CC[C@H](c2nncn2C)O1 228238109 344560899 /nfs/dbraw/zinc/56/08/99/344560899.db2.gz IRLVGWOYXUCPDS-RNFRBKRXSA-N 0 0 167.212 1.055 10 0 ADAERN Cn1cnnc1Cc1ccsc1 228238263 344560904 /nfs/dbraw/zinc/56/09/04/344560904.db2.gz XLWPXLWARCSCQM-UHFFFAOYSA-N 0 0 179.248 1.467 10 0 ADAERN CC(C)Cn1cnnc1-c1cn[nH]c1 228240395 344560917 /nfs/dbraw/zinc/56/09/17/344560917.db2.gz RVABFRPFCAOHLZ-UHFFFAOYSA-N 0 0 191.238 1.324 10 0 ADAERN CC(C)Cn1cnnc1-c1cc[nH]n1 228239591 344560924 /nfs/dbraw/zinc/56/09/24/344560924.db2.gz DTPOWVGIPCKXDM-UHFFFAOYSA-N 0 0 191.238 1.324 10 0 ADAERN C[C@@H]1CC[C@@H](c2nncn2C)O1 228238095 344560927 /nfs/dbraw/zinc/56/09/27/344560927.db2.gz IRLVGWOYXUCPDS-RQJHMYQMSA-N 0 0 167.212 1.055 10 0 ADAERN CCc1nncn1CC(C)C 228239683 344560932 /nfs/dbraw/zinc/56/09/32/344560932.db2.gz NGRWKPJDSQOFDO-UHFFFAOYSA-N 0 0 153.229 1.497 10 0 ADAERN CC(C)[C@@H](C)c1nncn1C 228239128 344560938 /nfs/dbraw/zinc/56/09/38/344560938.db2.gz OTCKSQHNGOSZEC-SSDOTTSWSA-N 0 0 153.229 1.575 10 0 ADAERN CCC[C@H](C)N1C(=O)[C@H](C)N[C@H]1C 228268359 344561215 /nfs/dbraw/zinc/56/12/15/344561215.db2.gz YMUSNFQPQWALSG-XHNCKOQMSA-N 0 0 184.283 1.341 10 0 ADAERN CC[C@H](C(C)C)N1C(=O)[C@H](C)N[C@H]1C 228360728 344561221 /nfs/dbraw/zinc/56/12/21/344561221.db2.gz REMCFMADNTZIAV-IVZWLZJFSA-N 0 0 198.310 1.587 10 0 ADAERN CC[C@H](C)N1C(=O)[C@H](C(C)C)N[C@H]1C 228276496 344561277 /nfs/dbraw/zinc/56/12/77/344561277.db2.gz UZWCMLUOSOWPHW-AEJSXWLSSA-N 0 0 198.310 1.587 10 0 ADAERN CC(C)[C@@H](C)N1C(=O)[C@H](C)N[C@H]1C 228311209 344561364 /nfs/dbraw/zinc/56/13/64/344561364.db2.gz BHGJRONTKUVWGS-DJLDLDEBSA-N 0 0 184.283 1.197 10 0 ADAERN CN(C)N[C@@H]1C[C@@H]2CC=C[C@H]21 228288471 344561397 /nfs/dbraw/zinc/56/13/97/344561397.db2.gz DSMDXYNKEDTWGE-DJLDLDEBSA-N 0 0 152.241 1.017 10 0 ADAERN CCCNc1cncc(NC)c1 228308903 344561460 /nfs/dbraw/zinc/56/14/60/344561460.db2.gz XNAFCJIRGHUZSX-UHFFFAOYSA-N 0 0 165.240 1.945 10 0 ADAERN C[C@@H]1CCC[C@H]([C@H](C(=O)[O-])[NH+](C)C)C1 228353535 344561471 /nfs/dbraw/zinc/56/14/71/344561471.db2.gz HSTHOZHUHULOMF-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@H](C(=O)[O-])[NH+](C)C)C1 228353551 344561483 /nfs/dbraw/zinc/56/14/83/344561483.db2.gz HSTHOZHUHULOMF-OPRDCNLKSA-N 0 0 199.294 1.828 10 0 ADAERN CC[C@@H]1N[C@@H](C)N([C@H](C)CC)C1=O 228278529 344561523 /nfs/dbraw/zinc/56/15/23/344561523.db2.gz XUZMHAOGVQLHCW-HLTSFMKQSA-N 0 0 184.283 1.341 10 0 ADAERN CON(C)c1cc(Cl)ccc1N 228407326 344561825 /nfs/dbraw/zinc/56/18/25/344561825.db2.gz KNOPINWFGWHDOM-UHFFFAOYSA-N 0 0 186.642 1.920 10 0 ADAERN Nc1ccc(Cl)nc1-n1ccnc1 228448135 344561863 /nfs/dbraw/zinc/56/18/63/344561863.db2.gz IHHQOLKNVIOGQC-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CC[C@H](C)CN1C(=O)[C@H](C)N[C@H]1C 228409919 344561866 /nfs/dbraw/zinc/56/18/66/344561866.db2.gz KDUPHGULRGZVJY-XHNCKOQMSA-N 0 0 184.283 1.199 10 0 ADAERN Nc1ccc(Cl)nc1-n1cccn1 228448159 344561885 /nfs/dbraw/zinc/56/18/85/344561885.db2.gz JZBMEHHJUQQJKT-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CN(c1nc(Cl)ccc1N)C1CC1 228440090 344561896 /nfs/dbraw/zinc/56/18/96/344561896.db2.gz OUDNTZHXRDEUKY-UHFFFAOYSA-N 0 0 197.669 1.916 10 0 ADAERN CCN(C)c1nc(Cl)ccc1N 228440060 344561910 /nfs/dbraw/zinc/56/19/10/344561910.db2.gz MPYRKHOCLIDWMN-UHFFFAOYSA-N 0 0 185.658 1.773 10 0 ADAERN C[C@@H]1C[S@@](=O)C[C@@H](c2ccoc2)N1 228433505 344561985 /nfs/dbraw/zinc/56/19/85/344561985.db2.gz BJWVLAYUVPUYFO-BZTNIEFMSA-N 0 0 199.275 1.061 10 0 ADAERN CON(C)c1nc(Cl)ccc1N 228441149 344562004 /nfs/dbraw/zinc/56/20/04/344562004.db2.gz VVMVBEFLKMHOQE-UHFFFAOYSA-N 0 0 187.630 1.315 10 0 ADAERN CN(C)c1nc(Cl)ccc1N 228439022 344562059 /nfs/dbraw/zinc/56/20/59/344562059.db2.gz SGIUXTZJFGXMFH-UHFFFAOYSA-N 0 0 171.631 1.383 10 0 ADAERN CC(C)=C[C@H](O)[C@@H]1CC[C@H](C)O1 228433947 344562068 /nfs/dbraw/zinc/56/20/68/344562068.db2.gz CBAZGMKYHZGTPJ-GUBZILKMSA-N 0 0 170.252 1.881 10 0 ADAERN C[C@@H]1C[S@](=O)C[C@@H](c2ccoc2)N1 228433523 344562078 /nfs/dbraw/zinc/56/20/78/344562078.db2.gz BJWVLAYUVPUYFO-CERSQZSQSA-N 0 0 199.275 1.061 10 0 ADAERN CCn1cc(N[C@@H](C)C(F)F)cn1 228488307 344562425 /nfs/dbraw/zinc/56/24/25/344562425.db2.gz GQVVQZBTPYXMFG-LURJTMIESA-N 0 0 189.209 1.969 10 0 ADAERN C[C@@H](Nc1cnn(C)c1)C(F)F 228488228 344562433 /nfs/dbraw/zinc/56/24/33/344562433.db2.gz ZJAQREGHIZWBBK-RXMQYKEDSA-N 0 0 175.182 1.486 10 0 ADAERN CC(C)N[C@@H](C)C(F)F 228477370 344562441 /nfs/dbraw/zinc/56/24/41/344562441.db2.gz HTTDPGPRVHAFIY-YFKPBYRVSA-N 0 0 137.173 1.638 10 0 ADAERN CC(C)N[C@H](C)C(F)F 228477379 344562450 /nfs/dbraw/zinc/56/24/50/344562450.db2.gz HTTDPGPRVHAFIY-RXMQYKEDSA-N 0 0 137.173 1.638 10 0 ADAERN CC(C)[C@@H](C)CN1C(=O)[C@H](C)N[C@H]1C 228470563 344562546 /nfs/dbraw/zinc/56/25/46/344562546.db2.gz OJSMANRZIKOUOO-LPEHRKFASA-N 0 0 198.310 1.445 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)C(F)F 228488293 344562566 /nfs/dbraw/zinc/56/25/66/344562566.db2.gz HFOFVKDMDCISCP-SCSAIBSYSA-N 0 0 161.155 1.475 10 0 ADAERN O=[S@@](C[C@@H]1CO1)C1CCCC1 228457742 344562579 /nfs/dbraw/zinc/56/25/79/344562579.db2.gz KTWARNZZWADSBO-CPCISQLKSA-N 0 0 174.265 1.077 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)C(F)F 228504377 344562921 /nfs/dbraw/zinc/56/29/21/344562921.db2.gz IUYCTTIBFJJEFD-RXMQYKEDSA-N 0 0 175.182 1.486 10 0 ADAERN C[C@@H](Nn1cccc1)C(F)F 228516570 344562923 /nfs/dbraw/zinc/56/29/23/344562923.db2.gz QBKHUFUXKDQWRX-ZCFIWIBFSA-N 0 0 160.167 1.685 10 0 ADAERN C[C@@H](N[C@@H]1CCCOC1)C(F)F 228513480 344562969 /nfs/dbraw/zinc/56/29/69/344562969.db2.gz SVCMBSYRRCDMCW-RNFRBKRXSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@H](N[C@@H]1CCCOC1)C(F)F 228513488 344562987 /nfs/dbraw/zinc/56/29/87/344562987.db2.gz SVCMBSYRRCDMCW-NKWVEPMBSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@@H](N[C@H]1CCOC1)C(F)F 228517596 344563071 /nfs/dbraw/zinc/56/30/71/344563071.db2.gz CFEQBSJIYYDCFS-RITPCOANSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@H](N[C@H]1CCCOC1)C(F)F 228513500 344563076 /nfs/dbraw/zinc/56/30/76/344563076.db2.gz SVCMBSYRRCDMCW-BQBZGAKWSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@@H](NC1CCC1)C(F)F 228512135 344563088 /nfs/dbraw/zinc/56/30/88/344563088.db2.gz JNIHGSKJXLJZDA-RXMQYKEDSA-N 0 0 149.184 1.782 10 0 ADAERN C[C@H](NC1CCC1)C(F)F 228512139 344563103 /nfs/dbraw/zinc/56/31/03/344563103.db2.gz JNIHGSKJXLJZDA-YFKPBYRVSA-N 0 0 149.184 1.782 10 0 ADAERN C[C@H](Nn1cccc1)C(F)F 228516579 344563119 /nfs/dbraw/zinc/56/31/19/344563119.db2.gz QBKHUFUXKDQWRX-LURJTMIESA-N 0 0 160.167 1.685 10 0 ADAERN C[C@H](NC1CC=CC1)C(F)F 228521191 344563121 /nfs/dbraw/zinc/56/31/21/344563121.db2.gz TWIGAOGWHRWJGM-LURJTMIESA-N 0 0 161.195 1.948 10 0 ADAERN Cc1nn(C)cc1N[C@H](C)C(F)F 228522961 344563159 /nfs/dbraw/zinc/56/31/59/344563159.db2.gz PVKYPCDZNYKPFJ-ZCFIWIBFSA-N 0 0 189.209 1.794 10 0 ADAERN C[C@H](N[C@H]1CCOC1)C(F)F 228517603 344563225 /nfs/dbraw/zinc/56/32/25/344563225.db2.gz CFEQBSJIYYDCFS-WDSKDSINSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@@H](N[C@H]1CCCOC1)C(F)F 228513495 344563259 /nfs/dbraw/zinc/56/32/59/344563259.db2.gz SVCMBSYRRCDMCW-RQJHMYQMSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@@H](NC1CC=CC1)C(F)F 228521186 344563327 /nfs/dbraw/zinc/56/33/27/344563327.db2.gz TWIGAOGWHRWJGM-ZCFIWIBFSA-N 0 0 161.195 1.948 10 0 ADAERN Cc1nn(C)cc1N[C@@H](C)C(F)F 228522955 344563332 /nfs/dbraw/zinc/56/33/32/344563332.db2.gz PVKYPCDZNYKPFJ-LURJTMIESA-N 0 0 189.209 1.794 10 0 ADAERN C[C@H](N[C@@H]1CCOC1)C(F)F 228517586 344563341 /nfs/dbraw/zinc/56/33/41/344563341.db2.gz CFEQBSJIYYDCFS-NTSWFWBYSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@@H](N[C@@H]1CCOC1)C(F)F 228517582 344563366 /nfs/dbraw/zinc/56/33/66/344563366.db2.gz CFEQBSJIYYDCFS-PHDIDXHHSA-N 0 0 165.183 1.019 10 0 ADAERN O=C1CCN(C[C@@H]2CCSC2)C1 228576434 344563620 /nfs/dbraw/zinc/56/36/20/344563620.db2.gz ZIUPYSCZRGOQEH-QMMMGPOBSA-N 0 0 185.292 1.014 10 0 ADAERN CNc1cnccc1F 228579210 344563723 /nfs/dbraw/zinc/56/37/23/344563723.db2.gz CJDKYTCWLZMMHS-UHFFFAOYSA-N 0 0 126.134 1.262 10 0 ADAERN O=C1CCN(C[C@H]2CCSC2)C1 228576443 344563879 /nfs/dbraw/zinc/56/38/79/344563879.db2.gz ZIUPYSCZRGOQEH-MRVPVSSYSA-N 0 0 185.292 1.014 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12OC(N)=NC2=O 228587796 344564088 /nfs/dbraw/zinc/56/40/88/344564088.db2.gz OTOIBZXIPPGMJR-MATHAZKKSA-N 0 0 196.250 1.053 10 0 ADAERN c1cnnc(NC[C@@H]2CCSC2)c1 228580586 344564097 /nfs/dbraw/zinc/56/40/97/344564097.db2.gz RWRQMTIVEXUEEM-QMMMGPOBSA-N 0 0 195.291 1.642 10 0 ADAERN Cc1noc(NC[C@H]2CCSC2)n1 228582051 344564160 /nfs/dbraw/zinc/56/41/60/344564160.db2.gz WPADLYVLEXSKHJ-SSDOTTSWSA-N 0 0 199.279 1.543 10 0 ADAERN c1cc(NC[C@H]2CCSC2)ncn1 228582899 344564182 /nfs/dbraw/zinc/56/41/82/344564182.db2.gz VKJVUJLKPKDUOD-MRVPVSSYSA-N 0 0 195.291 1.642 10 0 ADAERN Cc1noc(NC[C@@H]2CCSC2)n1 228582046 344564233 /nfs/dbraw/zinc/56/42/33/344564233.db2.gz WPADLYVLEXSKHJ-ZETCQYMHSA-N 0 0 199.279 1.543 10 0 ADAERN C[C@@H]1CC[C@@H](O)[C@@H](OCC(F)F)C1 228582003 344564383 /nfs/dbraw/zinc/56/43/83/344564383.db2.gz FTXSHTSSWUHJFS-PRJMDXOYSA-N 0 0 194.221 1.818 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@@H](OCC(F)F)C1 228582017 344564502 /nfs/dbraw/zinc/56/45/02/344564502.db2.gz FTXSHTSSWUHJFS-CSMHCCOUSA-N 0 0 194.221 1.818 10 0 ADAERN c1cc(NC[C@@H]2CCSC2)ncn1 228582894 344564505 /nfs/dbraw/zinc/56/45/05/344564505.db2.gz VKJVUJLKPKDUOD-QMMMGPOBSA-N 0 0 195.291 1.642 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@]2(C1)OC(N)=NC2=O 228587783 344564547 /nfs/dbraw/zinc/56/45/47/344564547.db2.gz OTOIBZXIPPGMJR-BRDIYROLSA-N 0 0 196.250 1.053 10 0 ADAERN c1cnnc(NC[C@H]2CCSC2)c1 228580591 344564571 /nfs/dbraw/zinc/56/45/71/344564571.db2.gz RWRQMTIVEXUEEM-MRVPVSSYSA-N 0 0 195.291 1.642 10 0 ADAERN O=C1CN(CCC2=CCCC2)C(=O)N1 228632167 344564697 /nfs/dbraw/zinc/56/46/97/344564697.db2.gz AHCNLDKACSZZJY-UHFFFAOYSA-N 0 0 194.234 1.039 10 0 ADAERN CCCNC(=O)[C@@H]1CC1(C)C 228631403 344564712 /nfs/dbraw/zinc/56/47/12/344564712.db2.gz YRMORGFEYQRJSI-ZETCQYMHSA-N 0 0 155.241 1.559 10 0 ADAERN CCNC(=O)[C@@H]1CC1(C)C 228631267 344564765 /nfs/dbraw/zinc/56/47/65/344564765.db2.gz HLGPEKCAGQLGIC-LURJTMIESA-N 0 0 141.214 1.169 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1CC1(C)C 228630413 344564875 /nfs/dbraw/zinc/56/48/75/344564875.db2.gz RSUKBERVTZASPA-YUMQZZPRSA-N 0 0 169.268 1.947 10 0 ADAERN CC[C@@H](C)NC(=O)[C@@H]1CC1(C)C 228630403 344564900 /nfs/dbraw/zinc/56/49/00/344564900.db2.gz RSUKBERVTZASPA-SFYZADRCSA-N 0 0 169.268 1.947 10 0 ADAERN CC1(C)C[C@H]1C(=O)NC1CC1 228631323 344565040 /nfs/dbraw/zinc/56/50/40/344565040.db2.gz IOWVFQMRIJQZNN-ZETCQYMHSA-N 0 0 153.225 1.311 10 0 ADAERN CC(C)[C@@H](C)[C@@H](O)c1ccnn1C 228639745 344565331 /nfs/dbraw/zinc/56/53/31/344565331.db2.gz TUWRXOWFKMYRNE-PSASIEDQSA-N 0 0 182.267 1.746 10 0 ADAERN CC(C)[C@H](C)[C@H](O)c1ccnn1C 228639768 344565341 /nfs/dbraw/zinc/56/53/41/344565341.db2.gz TUWRXOWFKMYRNE-WPRPVWTQSA-N 0 0 182.267 1.746 10 0 ADAERN OCC(F)(F)CN1CCCCC1 228640530 344565347 /nfs/dbraw/zinc/56/53/47/344565347.db2.gz DQCNPUKBQBJJDO-UHFFFAOYSA-N 0 0 179.210 1.100 10 0 ADAERN CC(C)(C)NC(=O)[C@@H]1CC1(C)C 228653560 344565358 /nfs/dbraw/zinc/56/53/58/344565358.db2.gz RWJUIBAGPWGEME-ZETCQYMHSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@@H]1C[S@](=O)C[C@@H](c2ccco2)N1 228654866 344565384 /nfs/dbraw/zinc/56/53/84/344565384.db2.gz MTVRIKSZFVESGS-UJVNDKKSSA-N 0 0 199.275 1.061 10 0 ADAERN CON(C)C(=O)[C@H]1CC1(C)C 228653447 344565390 /nfs/dbraw/zinc/56/53/90/344565390.db2.gz HDNSHDRJYDRXDX-ZCFIWIBFSA-N 0 0 157.213 1.052 10 0 ADAERN Cc1cncc(Cn2cncn2)c1 228645688 344565401 /nfs/dbraw/zinc/56/54/01/344565401.db2.gz DQMNFIAJNXYGGX-UHFFFAOYSA-N 0 0 174.207 1.030 10 0 ADAERN C[C@@H]1C[S@@](=O)C[C@@H](c2ccco2)N1 228654851 344565414 /nfs/dbraw/zinc/56/54/14/344565414.db2.gz MTVRIKSZFVESGS-BFHDXFOESA-N 0 0 199.275 1.061 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CC[C@@H]1C 228640001 344565485 /nfs/dbraw/zinc/56/54/85/344565485.db2.gz NTUOQZDNQBAGBR-FXQIFTODSA-N 0 0 171.240 1.190 10 0 ADAERN OCC(F)(F)CN1CCCCCC1 228641268 344565497 /nfs/dbraw/zinc/56/54/97/344565497.db2.gz KUQMPOJXMDZFFX-UHFFFAOYSA-N 0 0 193.237 1.490 10 0 ADAERN CC(C)[C@@H](C)[C@H](O)c1ccnn1C 228639759 344565515 /nfs/dbraw/zinc/56/55/15/344565515.db2.gz TUWRXOWFKMYRNE-SCZZXKLOSA-N 0 0 182.267 1.746 10 0 ADAERN CC(C)[C@H](C)[C@@H](O)c1ccnn1C 228639750 344565523 /nfs/dbraw/zinc/56/55/23/344565523.db2.gz TUWRXOWFKMYRNE-WCBMZHEXSA-N 0 0 182.267 1.746 10 0 ADAERN C[C@H](C1CC1)[C@@H](O)c1ccnn1C 228643177 344565534 /nfs/dbraw/zinc/56/55/34/344565534.db2.gz IIRHJSAXYUFFGM-GMSGAONNSA-N 0 0 180.251 1.500 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@@H+]1CC[C@@H]1C 228640008 344565564 /nfs/dbraw/zinc/56/55/64/344565564.db2.gz NTUOQZDNQBAGBR-BIIVOSGPSA-N 0 0 171.240 1.190 10 0 ADAERN C[C@@H](C1CC1)[C@@H](O)c1ccnn1C 228643184 344565596 /nfs/dbraw/zinc/56/55/96/344565596.db2.gz IIRHJSAXYUFFGM-OIBJUYFYSA-N 0 0 180.251 1.500 10 0 ADAERN CC1(C)C[C@H]1C(=O)N1CCC(O)CC1 228654387 344565638 /nfs/dbraw/zinc/56/56/38/344565638.db2.gz YBMPPUUBNLIXEX-VIFPVBQESA-N 0 0 197.278 1.016 10 0 ADAERN C[C@H](C1CC1)[C@H](O)c1ccnn1C 228643192 344565679 /nfs/dbraw/zinc/56/56/79/344565679.db2.gz IIRHJSAXYUFFGM-XCBNKYQSSA-N 0 0 180.251 1.500 10 0 ADAERN C[C@@H](C1CC1)[C@H](O)c1ccnn1C 228643200 344565687 /nfs/dbraw/zinc/56/56/87/344565687.db2.gz IIRHJSAXYUFFGM-XVKPBYJWSA-N 0 0 180.251 1.500 10 0 ADAERN N#CNCCC1=CCCC1 228664468 344565978 /nfs/dbraw/zinc/56/59/78/344565978.db2.gz WMYALPUZJMGRJF-UHFFFAOYSA-N 0 0 136.198 1.557 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1cncc(N)c1 228679004 344565981 /nfs/dbraw/zinc/56/59/81/344565981.db2.gz DAWMDSHGDDUEFV-SFYZADRCSA-N 0 0 195.266 1.093 10 0 ADAERN Cc1cncc(CC(N)=S)c1 228690558 344566531 /nfs/dbraw/zinc/56/65/31/344566531.db2.gz AMBBOOMADRCMBC-UHFFFAOYSA-N 0 0 166.249 1.219 10 0 ADAERN CC1(CNC(=O)[C@@H]2CC2(C)C)COC1 228668044 344566068 /nfs/dbraw/zinc/56/60/68/344566068.db2.gz HHZKERCZPPIOID-QMMMGPOBSA-N 0 0 197.278 1.185 10 0 ADAERN Cc1ncnc(N[C@@H]2CCOC2)c1F 228667751 344566085 /nfs/dbraw/zinc/56/60/85/344566085.db2.gz VEUZNJBKWLLLAW-SSDOTTSWSA-N 0 0 197.213 1.125 10 0 ADAERN CC1(C)C[C@H]1C(=O)Nc1cc[nH]n1 228662355 344566129 /nfs/dbraw/zinc/56/61/29/344566129.db2.gz NSJFZQHYRAAZOL-LURJTMIESA-N 0 0 179.223 1.394 10 0 ADAERN Cc1ncnc(N[C@H]2CCOC2)c1F 228667760 344566136 /nfs/dbraw/zinc/56/61/36/344566136.db2.gz VEUZNJBKWLLLAW-ZETCQYMHSA-N 0 0 197.213 1.125 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1cncc(N)c1 228678982 344566141 /nfs/dbraw/zinc/56/61/41/344566141.db2.gz DAWMDSHGDDUEFV-HTQZYQBOSA-N 0 0 195.266 1.093 10 0 ADAERN C[C@H](Nc1cncc(N)c1)[C@@H](C)CO 228678995 344566223 /nfs/dbraw/zinc/56/62/23/344566223.db2.gz DAWMDSHGDDUEFV-YUMQZZPRSA-N 0 0 195.266 1.093 10 0 ADAERN C[C@H](NN)[C@H]1CCC[C@@H](C)C1 228712241 344566532 /nfs/dbraw/zinc/56/65/32/344566532.db2.gz PKTHAGAHWYXQDS-VGMNWLOBSA-N 0 0 156.273 1.665 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1ccc(N)cn1 228695998 344566600 /nfs/dbraw/zinc/56/66/00/344566600.db2.gz WAMVJNJEDPACHF-JGVFFNPUSA-N 0 0 195.266 1.093 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1ccc(N)cn1 228696029 344566612 /nfs/dbraw/zinc/56/66/12/344566612.db2.gz WAMVJNJEDPACHF-SFYZADRCSA-N 0 0 195.266 1.093 10 0 ADAERN C[C@H](NN)[C@H]1CC[C@@H](C)[C@@H](C)C1 228712952 344566631 /nfs/dbraw/zinc/56/66/31/344566631.db2.gz IMUCAFBNDGOFIV-KATARQTJSA-N 0 0 170.300 1.911 10 0 ADAERN C[C@H](NN)[C@@H]1CCCCS1 229679539 344611320 /nfs/dbraw/zinc/61/13/20/344611320.db2.gz GFOMDRXAFRJWSQ-BQBZGAKWSA-N 0 0 160.286 1.124 10 0 ADAERN C[C@H](NN)C1C[C@H](C)C[C@@H](C)C1 228713128 344566710 /nfs/dbraw/zinc/56/67/10/344566710.db2.gz SYESCYUQZAQNQE-HLTSFMKQSA-N 0 0 170.300 1.911 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H](O)CC1CC1 228706272 344566715 /nfs/dbraw/zinc/56/67/15/344566715.db2.gz KLEWBGNIVSCGBN-JEZHCXPESA-N 0 0 170.252 1.572 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H](O)CC1CC1 228706298 344566749 /nfs/dbraw/zinc/56/67/49/344566749.db2.gz KLEWBGNIVSCGBN-FKTZTGRPSA-N 0 0 170.252 1.572 10 0 ADAERN C[C@H](NN)[C@@H]1CCC[C@@H](C)C1 228712229 344566991 /nfs/dbraw/zinc/56/69/91/344566991.db2.gz PKTHAGAHWYXQDS-HRDYMLBCSA-N 0 0 156.273 1.665 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1cc(F)ncn1 228744129 344567137 /nfs/dbraw/zinc/56/71/37/344567137.db2.gz WYKSXBQTAQVVNM-RQJHMYQMSA-N 0 0 199.229 1.045 10 0 ADAERN CC[C@H](NCC1(C)CCC1)C(=O)OC 228728047 344567194 /nfs/dbraw/zinc/56/71/94/344567194.db2.gz ATGNYJRVYHCJNM-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H](Nc1cc(F)ncn1)[C@@H](C)CO 228744115 344567200 /nfs/dbraw/zinc/56/72/00/344567200.db2.gz WYKSXBQTAQVVNM-BQBZGAKWSA-N 0 0 199.229 1.045 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1cc(F)ncn1 228744094 344567286 /nfs/dbraw/zinc/56/72/86/344567286.db2.gz WYKSXBQTAQVVNM-NKWVEPMBSA-N 0 0 199.229 1.045 10 0 ADAERN C[C@@H]1CO[C@H](C(F)(F)F)C[NH2+][C@@H]1C 228744614 344567342 /nfs/dbraw/zinc/56/73/42/344567342.db2.gz LSSZMAVOZHXHLO-QYNIQEEDSA-N 0 0 197.200 1.562 10 0 ADAERN C[C@@H]1CO[C@@H](C(F)(F)F)C[NH2+][C@@H]1C 228744631 344567601 /nfs/dbraw/zinc/56/76/01/344567601.db2.gz LSSZMAVOZHXHLO-FSDSQADBSA-N 0 0 197.200 1.562 10 0 ADAERN C[C@@H](CO)[C@@H](C)n1cccc1 228751874 344567757 /nfs/dbraw/zinc/56/77/57/344567757.db2.gz JBWOYZNXLRXHKN-DTWKUNHWSA-N 0 0 153.225 1.678 10 0 ADAERN C[C@@H]([C@@H](C)CO)n1cccc1 228751892 344567828 /nfs/dbraw/zinc/56/78/28/344567828.db2.gz JBWOYZNXLRXHKN-IUCAKERBSA-N 0 0 153.225 1.678 10 0 ADAERN CC1(C)C[C@@H]1C(=O)Nc1ncc[nH]1 228774837 344567836 /nfs/dbraw/zinc/56/78/36/344567836.db2.gz WYLGGPNFVCZGBW-ZCFIWIBFSA-N 0 0 179.223 1.394 10 0 ADAERN COc1ccc(C(=O)NC#N)c(F)c1 228757013 344567838 /nfs/dbraw/zinc/56/78/38/344567838.db2.gz PTTJYZGSODAUTP-UHFFFAOYSA-N 0 0 194.165 1.045 10 0 ADAERN C[C@H](CO)[C@H](C)n1cccc1 228751897 344567935 /nfs/dbraw/zinc/56/79/35/344567935.db2.gz JBWOYZNXLRXHKN-BDAKNGLRSA-N 0 0 153.225 1.678 10 0 ADAERN C[C@H](CO)[C@@H](C)n1cccc1 228751882 344568016 /nfs/dbraw/zinc/56/80/16/344568016.db2.gz JBWOYZNXLRXHKN-RKDXNWHRSA-N 0 0 153.225 1.678 10 0 ADAERN CC[C@@H]1CCN(c2nccnc2N)C1 228780292 344568519 /nfs/dbraw/zinc/56/85/19/344568519.db2.gz KITMHIPSNBVIEM-MRVPVSSYSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@H]1CCN(c2nccnc2N)C1 228780305 344568644 /nfs/dbraw/zinc/56/86/44/344568644.db2.gz KITMHIPSNBVIEM-QMMMGPOBSA-N 0 0 192.266 1.295 10 0 ADAERN CN[C@@H](c1ccco1)C(F)F 229943047 344620974 /nfs/dbraw/zinc/62/09/74/344620974.db2.gz CQFDCBRSDIDFSU-LURJTMIESA-N 0 0 161.151 1.805 10 0 ADAERN O=CNCCC1=CCCC1 228799612 344568828 /nfs/dbraw/zinc/56/88/28/344568828.db2.gz YWDYTRSRZUBXJF-UHFFFAOYSA-N 0 0 139.198 1.233 10 0 ADAERN COc1ccc(C2(O)CC2)c(F)c1 228800905 344569080 /nfs/dbraw/zinc/56/90/80/344569080.db2.gz FSNWZVDIIXYLBS-UHFFFAOYSA-N 0 0 182.194 1.816 10 0 ADAERN Cc1nn(C)c(NC2(C)CC2)c1N 228829015 344569364 /nfs/dbraw/zinc/56/93/64/344569364.db2.gz YXCVVYTUENWGAR-UHFFFAOYSA-N 0 0 180.255 1.275 10 0 ADAERN CC1(Nc2cccnc2N)CC1 228830297 344569398 /nfs/dbraw/zinc/56/93/98/344569398.db2.gz MDEMCARAVHWHLT-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN CC1(Nc2ncncc2N)CC1 228829622 344569488 /nfs/dbraw/zinc/56/94/88/344569488.db2.gz LSFWCLFRTACIIN-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CC1(Nc2ccc(N)nc2)CC1 228828608 344569547 /nfs/dbraw/zinc/56/95/47/344569547.db2.gz HZWPMCNFHDYXLH-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN CC1(NC(=O)c2sccc2N)CC1 228825507 344569560 /nfs/dbraw/zinc/56/95/60/344569560.db2.gz FIAWOGBAMRVWCT-UHFFFAOYSA-N 0 0 196.275 1.613 10 0 ADAERN COc1ncnc(NC2(C)CC2)c1N 228829919 344569631 /nfs/dbraw/zinc/56/96/31/344569631.db2.gz WMDGEPXDYAJGOZ-UHFFFAOYSA-N 0 0 194.238 1.032 10 0 ADAERN CC1(Nc2ncncc2N)CCC1 228831244 344569715 /nfs/dbraw/zinc/56/97/15/344569715.db2.gz QDPXRSCWMTUFQP-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN CC1(Nc2ccc(N)cn2)CC1 228828620 344569743 /nfs/dbraw/zinc/56/97/43/344569743.db2.gz LJHIDQHESFNUSE-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN CC1(Nc2ncnc(Cl)c2N)CC1 228830027 344569753 /nfs/dbraw/zinc/56/97/53/344569753.db2.gz HHFMSCRZUIXIFB-UHFFFAOYSA-N 0 0 198.657 1.677 10 0 ADAERN CC1(Nc2ncc(N)cn2)CC1 228828396 344569762 /nfs/dbraw/zinc/56/97/62/344569762.db2.gz LHDCHUNWEMEAQR-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CC1(Nc2ncccc2N)CC1 228828638 344569770 /nfs/dbraw/zinc/56/97/70/344569770.db2.gz LFSHHUJSFYKHMR-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN CC(C)=C[C@H](O)[C@@H]1CO[C@@H](C)C1 228841508 344569936 /nfs/dbraw/zinc/56/99/36/344569936.db2.gz UXBSPSQCIUCWND-GUBZILKMSA-N 0 0 170.252 1.739 10 0 ADAERN CC(C)=C[C@H](O)[C@@H]1CO[C@H](C)C1 228841500 344570047 /nfs/dbraw/zinc/57/00/47/344570047.db2.gz UXBSPSQCIUCWND-UTLUCORTSA-N 0 0 170.252 1.739 10 0 ADAERN CC(C)=C[C@H](O)[C@H]1CO[C@H](C)C1 228841514 344570175 /nfs/dbraw/zinc/57/01/75/344570175.db2.gz UXBSPSQCIUCWND-BBBLOLIVSA-N 0 0 170.252 1.739 10 0 ADAERN CC(C)=C[C@H](O)[C@H]1CO[C@@H](C)C1 228841521 344570226 /nfs/dbraw/zinc/57/02/26/344570226.db2.gz UXBSPSQCIUCWND-AEJSXWLSSA-N 0 0 170.252 1.739 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1cc(OC)ncn1 228850691 344570530 /nfs/dbraw/zinc/57/05/30/344570530.db2.gz BGFNSWHJYUGZNZ-SFYZADRCSA-N 0 0 193.250 1.696 10 0 ADAERN CC1(NCC(F)F)CC1 228844091 344570556 /nfs/dbraw/zinc/57/05/56/344570556.db2.gz HOZFNNADUYPPNN-UHFFFAOYSA-N 0 0 135.157 1.394 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1cc(OC)ncn1 228850705 344570574 /nfs/dbraw/zinc/57/05/74/344570574.db2.gz BGFNSWHJYUGZNZ-YUMQZZPRSA-N 0 0 193.250 1.696 10 0 ADAERN CC[C@H]1C[C@H]1Nc1cc(OC)ncn1 228850725 344570750 /nfs/dbraw/zinc/57/07/50/344570750.db2.gz BGFNSWHJYUGZNZ-JGVFFNPUSA-N 0 0 193.250 1.696 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1cc(OC)ncn1 228850712 344570768 /nfs/dbraw/zinc/57/07/68/344570768.db2.gz BGFNSWHJYUGZNZ-HTQZYQBOSA-N 0 0 193.250 1.696 10 0 ADAERN CC1([NH2+]CCF)CCC1 228848260 344570806 /nfs/dbraw/zinc/57/08/06/344570806.db2.gz PTJVRFFSJSDCMU-UHFFFAOYSA-N 0 0 131.194 1.488 10 0 ADAERN CC1(NCC(F)(F)F)CC1 228842278 344570842 /nfs/dbraw/zinc/57/08/42/344570842.db2.gz DJLNHFCPGHIQQV-UHFFFAOYSA-N 0 0 153.147 1.691 10 0 ADAERN CC1(NC(=O)c2csc(N)n2)CC1 228856946 344570974 /nfs/dbraw/zinc/57/09/74/344570974.db2.gz VALIGBDZKDIDLK-UHFFFAOYSA-N 0 0 197.263 1.008 10 0 ADAERN CC1(NCC(F)F)CCC1 228851527 344571165 /nfs/dbraw/zinc/57/11/65/344571165.db2.gz WWZNFFDOTGXJBB-UHFFFAOYSA-N 0 0 149.184 1.784 10 0 ADAERN C[C@@H]1C(=O)CC[N@H+](C2(C)CC2)[C@H]1C 228867461 344571499 /nfs/dbraw/zinc/57/14/99/344571499.db2.gz VXMXBRBAAUFDST-IUCAKERBSA-N 0 0 181.279 1.838 10 0 ADAERN C[C@@H]1CC(=O)CC[N@@H+]1C1(C)CC1 228867298 344571529 /nfs/dbraw/zinc/57/15/29/344571529.db2.gz GAIWDLKTHBCNJC-MRVPVSSYSA-N 0 0 167.252 1.592 10 0 ADAERN C[C@H]1CC(=O)CC[N@@H+]1C1(C)CC1 228867311 344571535 /nfs/dbraw/zinc/57/15/35/344571535.db2.gz GAIWDLKTHBCNJC-QMMMGPOBSA-N 0 0 167.252 1.592 10 0 ADAERN C[C@H]1C[N@@H+](C2(C)CCC2)CCC1=O 228866836 344571561 /nfs/dbraw/zinc/57/15/61/344571561.db2.gz IQYAXWJWKKFKHX-VIFPVBQESA-N 0 0 181.279 1.840 10 0 ADAERN CC1(N2CCC(=O)CC2)CC1 228866755 344571566 /nfs/dbraw/zinc/57/15/66/344571566.db2.gz KGVJTHJBVQGYIV-UHFFFAOYSA-N 0 0 153.225 1.204 10 0 ADAERN C[C@@H]1C[N@@H+](C2(C)CCC2)CCC1=O 228866822 344571573 /nfs/dbraw/zinc/57/15/73/344571573.db2.gz IQYAXWJWKKFKHX-SECBINFHSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@H]1C[N@@H+](C2(C)CC2)CCC1=O 228866713 344571685 /nfs/dbraw/zinc/57/16/85/344571685.db2.gz KPVUJMPRSOWJKY-QMMMGPOBSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@@H]1C[N@@H+](C2(C)CC2)CCC1=O 228866697 344571796 /nfs/dbraw/zinc/57/17/96/344571796.db2.gz KPVUJMPRSOWJKY-MRVPVSSYSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@@H]1C(=O)CC[N@H+](C2(C)CC2)[C@@H]1C 228867448 344571723 /nfs/dbraw/zinc/57/17/23/344571723.db2.gz VXMXBRBAAUFDST-DTWKUNHWSA-N 0 0 181.279 1.838 10 0 ADAERN C[C@H]1C(=O)CC[N@H+](C2(C)CC2)[C@@H]1C 228867431 344571734 /nfs/dbraw/zinc/57/17/34/344571734.db2.gz VXMXBRBAAUFDST-RKDXNWHRSA-N 0 0 181.279 1.838 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)Cc1cccnc1 228862286 344571741 /nfs/dbraw/zinc/57/17/41/344571741.db2.gz PSCXBQWSVDPBCF-MIMYLULJSA-N 0 0 177.247 1.641 10 0 ADAERN C[C@H]1[C@@H](C)C(=O)CC[N@@H+]1C1(C)CC1 228867440 344571775 /nfs/dbraw/zinc/57/17/75/344571775.db2.gz VXMXBRBAAUFDST-BDAKNGLRSA-N 0 0 181.279 1.838 10 0 ADAERN CC(=O)CC(=O)NC1(C)CCC1 228863484 344571783 /nfs/dbraw/zinc/57/17/83/344571783.db2.gz QZWVDZYAVUZWFR-UHFFFAOYSA-N 0 0 169.224 1.024 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)Cc1cccnc1 228862313 344571825 /nfs/dbraw/zinc/57/18/25/344571825.db2.gz PSCXBQWSVDPBCF-IEBDPFPHSA-N 0 0 177.247 1.641 10 0 ADAERN C[C@@H]1CC[C@@H](N2C[C@@H](CO)CC2=O)C1 228869423 344572178 /nfs/dbraw/zinc/57/21/78/344572178.db2.gz YXAKTTVJKOEYND-KXUCPTDWSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@@H]1CC[C@@H](N2CCC[C@@H]([NH3+])C2=O)C1 228870093 344572290 /nfs/dbraw/zinc/57/22/90/344572290.db2.gz PUHSAHMRLDMZIU-OPRDCNLKSA-N 0 0 196.294 1.125 10 0 ADAERN CC1(Nc2cc(C(=O)[O-])ccn2)CC1 228870150 344572429 /nfs/dbraw/zinc/57/24/29/344572429.db2.gz LEKPCLHPRZZPPC-UHFFFAOYSA-N 0 0 192.218 1.744 10 0 ADAERN C[C@@H]1CC[C@H](N2C[C@@H](CO)CC2=O)C1 228869397 344572513 /nfs/dbraw/zinc/57/25/13/344572513.db2.gz YXAKTTVJKOEYND-UTLUCORTSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@@H]1CC[C@H](N2CCC[C@@H]([NH3+])C2=O)C1 228870062 344572525 /nfs/dbraw/zinc/57/25/25/344572525.db2.gz PUHSAHMRLDMZIU-KXUCPTDWSA-N 0 0 196.294 1.125 10 0 ADAERN CC1(Nc2ccn3nccc3n2)CC1 228883538 344572898 /nfs/dbraw/zinc/57/28/98/344572898.db2.gz GLHBBTRNVKLIOJ-UHFFFAOYSA-N 0 0 188.234 1.694 10 0 ADAERN Cc1nccnc1NC1(C)CC1 228883683 344572914 /nfs/dbraw/zinc/57/29/14/344572914.db2.gz RTXHCBJXWJOPDJ-UHFFFAOYSA-N 0 0 163.224 1.749 10 0 ADAERN CCNc1cc(N)cc(Cl)n1 228872774 344572941 /nfs/dbraw/zinc/57/29/41/344572941.db2.gz WLMQTQPVGUKZDG-UHFFFAOYSA-N 0 0 171.631 1.749 10 0 ADAERN Nc1cc(Cl)nc(N2CCCC2)c1 228872047 344573039 /nfs/dbraw/zinc/57/30/39/344573039.db2.gz PDQMSSZUNGDRPT-UHFFFAOYSA-N 0 0 197.669 1.917 10 0 ADAERN CC1(Nc2nccn3nccc23)CC1 228884960 344573331 /nfs/dbraw/zinc/57/33/31/344573331.db2.gz MDNXXTCTSLDOIX-UHFFFAOYSA-N 0 0 188.234 1.694 10 0 ADAERN CC1(Nc2ccncn2)CC1 228885569 344573338 /nfs/dbraw/zinc/57/33/38/344573338.db2.gz GSOFYXJPYIQOPD-UHFFFAOYSA-N 0 0 149.197 1.441 10 0 ADAERN Cc1ccc(NC2(C)CC2)nn1 228886905 344573409 /nfs/dbraw/zinc/57/34/09/344573409.db2.gz MSFYQZFCTRXNPZ-UHFFFAOYSA-N 0 0 163.224 1.749 10 0 ADAERN CC(C)=C[C@H](NN)c1cc(C)ccn1 228885079 344573426 /nfs/dbraw/zinc/57/34/26/344573426.db2.gz BKSCTVIQRZOYFY-NSHDSACASA-N 0 0 191.278 1.861 10 0 ADAERN CC1(Nc2cn[nH]c(=O)c2Cl)CC1 228886837 344573443 /nfs/dbraw/zinc/57/34/43/344573443.db2.gz MHFRNYSIECHJFN-UHFFFAOYSA-N 0 0 199.641 1.388 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@@H](NN)c1ccco1 228888595 344573455 /nfs/dbraw/zinc/57/34/55/344573455.db2.gz XIOOUWFWBHIFFW-OYNCUSHFSA-N 0 0 196.250 1.209 10 0 ADAERN CC1(Nc2ccncn2)CCC1 228889330 344573506 /nfs/dbraw/zinc/57/35/06/344573506.db2.gz XCMSSOXUONJUOM-UHFFFAOYSA-N 0 0 163.224 1.831 10 0 ADAERN CC1(Nc2nncs2)CC1 228884837 344573525 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344574580 /nfs/dbraw/zinc/57/45/80/344574580.db2.gz FHKRXKSKJNTCJA-UHFFFAOYSA-N 0 0 188.662 1.081 10 0 ADAERN NNC[C@@H]1CCOC2(CCCC2)C1 228900597 344574582 /nfs/dbraw/zinc/57/45/82/344574582.db2.gz JDXBJWQAYDGRIK-SECBINFHSA-N 0 0 184.283 1.189 10 0 ADAERN Cc1cc(C)c(CNN)cc1C 228900106 344574585 /nfs/dbraw/zinc/57/45/85/344574585.db2.gz ZDBGSPJANCZCIU-UHFFFAOYSA-N 0 0 164.252 1.575 10 0 ADAERN CC(C)(C)CCCNN 228899574 344574604 /nfs/dbraw/zinc/57/46/04/344574604.db2.gz AOFYBVVHZLCIAO-UHFFFAOYSA-N 0 0 130.235 1.276 10 0 ADAERN C[C@H]1CC(CNN)C[C@H](C)C1 228900190 344574607 /nfs/dbraw/zinc/57/46/07/344574607.db2.gz YZTXTVOHSSGZQN-HTQZYQBOSA-N 0 0 156.273 1.522 10 0 ADAERN NNCCc1csc2ccccc12 228899045 344574630 /nfs/dbraw/zinc/57/46/30/344574630.db2.gz FZBPVWWXCHRHGY-UHFFFAOYSA-N 0 0 192.287 1.907 10 0 ADAERN NNCc1cc2cccc(F)c2o1 228900797 344574633 /nfs/dbraw/zinc/57/46/33/344574633.db2.gz MLPHGJAKIYCORP-UHFFFAOYSA-N 0 0 180.182 1.535 10 0 ADAERN Cc1c[nH]c(=S)n1C1(C)CC1 228909327 344574855 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1.117 10 0 ADAERN CC1(Nc2cncc(N)n2)CC1 228948132 344576874 /nfs/dbraw/zinc/57/68/74/344576874.db2.gz QJUCFRJDEFVLMQ-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CC1(Nc2cnc(N)cn2)CC1 228948149 344576939 /nfs/dbraw/zinc/57/69/39/344576939.db2.gz HMMCRWKUIVHLJI-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CC1(Nc2nc(N)ns2)CC1 228947091 344576974 /nfs/dbraw/zinc/57/69/74/344576974.db2.gz FSOFDMVRMRNAPX-UHFFFAOYSA-N 0 0 170.241 1.085 10 0 ADAERN CC1(Nc2ccnc(N)n2)CC1 228949846 344577218 /nfs/dbraw/zinc/57/72/18/344577218.db2.gz QMGAOHGTFMLCOD-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CC1(Nc2nc(N)ncc2F)CCC1 228952311 344577286 /nfs/dbraw/zinc/57/72/86/344577286.db2.gz SBZBHFRFTZAYLK-UHFFFAOYSA-N 0 0 196.229 1.552 10 0 ADAERN CC1(N2CCCNC2=O)CCC1 228954077 344577301 /nfs/dbraw/zinc/57/73/01/344577301.db2.gz SLFYTPLHGSTFOT-UHFFFAOYSA-N 0 0 168.240 1.344 10 0 ADAERN CC1(Nc2nc(N)ncc2F)CC1 228950514 344577323 /nfs/dbraw/zinc/57/73/23/344577323.db2.gz WQADGGHQJAUNLP-UHFFFAOYSA-N 0 0 182.202 1.162 10 0 ADAERN CNc1ncc(C)c(NC2(C)CC2)n1 228950313 344577327 /nfs/dbraw/zinc/57/73/27/344577327.db2.gz OPKWGSQRPMUPLI-UHFFFAOYSA-N 0 0 192.266 1.791 10 0 ADAERN CNc1nccc(NC2(C)CC2)n1 228949972 344577410 /nfs/dbraw/zinc/57/74/10/344577410.db2.gz HUYAYMSAKGPCAW-UHFFFAOYSA-N 0 0 178.239 1.483 10 0 ADAERN CNc1cncc(NC2(C)CC2)n1 228949022 344577449 /nfs/dbraw/zinc/57/74/49/344577449.db2.gz IVDUMYBPNREXPV-UHFFFAOYSA-N 0 0 178.239 1.483 10 0 ADAERN CC1(Nc2cc(N)ncn2)CCC1 228950554 344577472 /nfs/dbraw/zinc/57/74/72/344577472.db2.gz LKAIEVDNGVTCAH-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN CC1(Nc2cnc(N)cn2)CCC1 228948206 344577483 /nfs/dbraw/zinc/57/74/83/344577483.db2.gz GZYQTLFPDABCJY-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN Cc1c(N)ncnc1NC1(C)CC1 228949122 344577520 /nfs/dbraw/zinc/57/75/20/344577520.db2.gz LIKASZGNTGJQOY-UHFFFAOYSA-N 0 0 178.239 1.332 10 0 ADAERN CC1(Nc2cncc(N)c2)CC1 228948230 344577526 /nfs/dbraw/zinc/57/75/26/344577526.db2.gz BPVSTOAGJRIXTA-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN CC1(Nc2nc(N)ncc2Cl)CC1 228949365 344577549 /nfs/dbraw/zinc/57/75/49/344577549.db2.gz HONDMRUAYGKVPT-UHFFFAOYSA-N 0 0 198.657 1.677 10 0 ADAERN Cc1cnc(N)nc1NC1(C)CC1 228949684 344577557 /nfs/dbraw/zinc/57/75/57/344577557.db2.gz YPKAGQIAKOCCPO-UHFFFAOYSA-N 0 0 178.239 1.332 10 0 ADAERN CC1(Nc2ccnc(N)n2)CCC1 228951810 344577562 /nfs/dbraw/zinc/57/75/62/344577562.db2.gz JKGCNJJRAGMNIE-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN Cc1cnc(N)nc1NC1(C)CCC1 228951703 344577581 /nfs/dbraw/zinc/57/75/81/344577581.db2.gz WQVFFCRUSWBKOG-UHFFFAOYSA-N 0 0 192.266 1.722 10 0 ADAERN CNc1cc(NC2(C)CC2)ncn1 228948944 344577584 /nfs/dbraw/zinc/57/75/84/344577584.db2.gz GDRAYMFNPFKKMR-UHFFFAOYSA-N 0 0 178.239 1.483 10 0 ADAERN CC1(Nc2cncc(=NN)[nH]2)CCC1 228953757 344577590 /nfs/dbraw/zinc/57/75/90/344577590.db2.gz MWPONDWAAWDSCJ-UHFFFAOYSA-N 0 0 193.254 1.117 10 0 ADAERN CC1(Nc2cc(N)ncn2)CC1 228948250 344577620 /nfs/dbraw/zinc/57/76/20/344577620.db2.gz MXXRSDCSJYNDFC-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN CC1(Nc2nc(N)nc(Cl)n2)CC1 228949492 344577638 /nfs/dbraw/zinc/57/76/38/344577638.db2.gz KDNKMPKZZGOFHE-UHFFFAOYSA-N 0 0 199.645 1.072 10 0 ADAERN CC(C)[C@@H](NN)c1ccccc1N 228980008 344578446 /nfs/dbraw/zinc/57/84/46/344578446.db2.gz HEVYRVZLUZUGTD-SNVBAGLBSA-N 0 0 179.267 1.429 10 0 ADAERN CCC(C)(CC)NC(N)=S 230955991 344646306 /nfs/dbraw/zinc/64/63/06/344646306.db2.gz GZBBAJOZCAERBG-UHFFFAOYSA-N 0 0 160.286 1.398 10 0 ADAERN CC(C)=C[C@H](NN)C1CCC1 228996919 344578922 /nfs/dbraw/zinc/57/89/22/344578922.db2.gz PXIJQTNWAVPGAH-VIFPVBQESA-N 0 0 154.257 1.585 10 0 ADAERN NN[C@@H](c1ccncc1F)C1CCC1 228993770 344578929 /nfs/dbraw/zinc/57/89/29/344578929.db2.gz BRAVAWZJMHHAMA-SNVBAGLBSA-N 0 0 195.241 1.525 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@@H](O)C1=COCCC1 228988303 344578937 /nfs/dbraw/zinc/57/89/37/344578937.db2.gz QNSWAIDQYSPLQU-GDPRMGEGSA-N 0 0 198.262 1.467 10 0 ADAERN NN[C@H](c1ccncc1F)C1CCC1 228993762 344579028 /nfs/dbraw/zinc/57/90/28/344579028.db2.gz BRAVAWZJMHHAMA-JTQLQIEISA-N 0 0 195.241 1.525 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@@H](O)C1=COCCC1 228988282 344579100 /nfs/dbraw/zinc/57/91/00/344579100.db2.gz QNSWAIDQYSPLQU-LSJOCFKGSA-N 0 0 198.262 1.467 10 0 ADAERN CC(C)=C[C@@H](NN)C1CCC1 228996909 344579108 /nfs/dbraw/zinc/57/91/08/344579108.db2.gz PXIJQTNWAVPGAH-SECBINFHSA-N 0 0 154.257 1.585 10 0 ADAERN C[C@H](NN)[C@@H]1Cc2ccccc21 229004155 344579314 /nfs/dbraw/zinc/57/93/14/344579314.db2.gz DZQFYTXREQARCR-XVKPBYJWSA-N 0 0 162.236 1.178 10 0 ADAERN C[C@@H](NN)[C@@H]1Cc2ccccc21 229004143 344579508 /nfs/dbraw/zinc/57/95/08/344579508.db2.gz DZQFYTXREQARCR-XCBNKYQSSA-N 0 0 162.236 1.178 10 0 ADAERN C[C@H](NN)[C@H]1Cc2ccccc21 229004176 344579543 /nfs/dbraw/zinc/57/95/43/344579543.db2.gz DZQFYTXREQARCR-OIBJUYFYSA-N 0 0 162.236 1.178 10 0 ADAERN C[C@@H](NN)[C@H]1Cc2ccccc21 229004164 344579622 /nfs/dbraw/zinc/57/96/22/344579622.db2.gz DZQFYTXREQARCR-GMSGAONNSA-N 0 0 162.236 1.178 10 0 ADAERN C[C@@H](C[S@@](C)=O)n1cccc1 229036930 344579748 /nfs/dbraw/zinc/57/97/48/344579748.db2.gz FTOZCCBIBQDWNW-GZMMTYOYSA-N 0 0 171.265 1.428 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H](C)C1 229017879 344579781 /nfs/dbraw/zinc/57/97/81/344579781.db2.gz PGCNPDQYKJXWPA-RGOKHQFPSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)=CCn1ccc(=O)[nH]c1=S 229023666 344579792 /nfs/dbraw/zinc/57/97/92/344579792.db2.gz XQDATEJENDLKLV-UHFFFAOYSA-N 0 0 196.275 1.498 10 0 ADAERN C[C@@H](C[S@](C)=O)n1cccc1 229036958 344579803 /nfs/dbraw/zinc/57/98/03/344579803.db2.gz FTOZCCBIBQDWNW-KWQFWETISA-N 0 0 171.265 1.428 10 0 ADAERN C[C@H](C[S@](C)=O)n1cccc1 229036971 344580006 /nfs/dbraw/zinc/58/00/06/344580006.db2.gz FTOZCCBIBQDWNW-KCJUWKMLSA-N 0 0 171.265 1.428 10 0 ADAERN C[C@H](C[S@@](C)=O)n1cccc1 229036945 344580043 /nfs/dbraw/zinc/58/00/43/344580043.db2.gz FTOZCCBIBQDWNW-LDYMZIIASA-N 0 0 171.265 1.428 10 0 ADAERN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 229017888 344580096 /nfs/dbraw/zinc/58/00/96/344580096.db2.gz PGCNPDQYKJXWPA-ZYUZMQFOSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)(O)C(C)(C)Nc1ccncn1 229014717 344580112 /nfs/dbraw/zinc/58/01/12/344580112.db2.gz DXOMQDZVQPJFLG-UHFFFAOYSA-N 0 0 195.266 1.438 10 0 ADAERN C=CC(=O)NCC=C(C)C 229034419 344580145 /nfs/dbraw/zinc/58/01/45/344580145.db2.gz XBSNTAQJKFWMDK-UHFFFAOYSA-N 0 0 139.198 1.255 10 0 ADAERN CC(C)=CCN1CCCNC1=O 229046104 344580305 /nfs/dbraw/zinc/58/03/05/344580305.db2.gz AGPURHOYHXAZIV-UHFFFAOYSA-N 0 0 168.240 1.368 10 0 ADAERN Cc1ccc(C)n1[C@@H]1CNC(=O)C1 229042673 344580489 /nfs/dbraw/zinc/58/04/89/344580489.db2.gz MHHWXTXAIGKCSO-VIFPVBQESA-N 0 0 178.235 1.166 10 0 ADAERN Cc1ncc(NCC(F)F)nc1C 229068236 344580874 /nfs/dbraw/zinc/58/08/74/344580874.db2.gz QOKSMBFDOPYAJP-UHFFFAOYSA-N 0 0 187.193 1.770 10 0 ADAERN CN(C)C(=O)NCCC1=CCCC1 229063743 344580886 /nfs/dbraw/zinc/58/08/86/344580886.db2.gz MOUSGOLXOFUIOE-UHFFFAOYSA-N 0 0 182.267 1.758 10 0 ADAERN Cc1ncc(N[C@H]2C[C@H]2C)nc1C 229058174 344580950 /nfs/dbraw/zinc/58/09/50/344580950.db2.gz UIRJWNDIGGDTJH-MUWHJKNJSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1ncc(N[C@H]2C[C@@H]2C)nc1C 229058184 344580956 /nfs/dbraw/zinc/58/09/56/344580956.db2.gz UIRJWNDIGGDTJH-RCOVLWMOSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1ncc(NC[C@@H](C)CO)nc1C 229062900 344581056 /nfs/dbraw/zinc/58/10/56/344581056.db2.gz OCBYHBSWENXPFV-SSDOTTSWSA-N 0 0 195.266 1.134 10 0 ADAERN Cc1ncc(N[C@@H]2C[C@H]2C)nc1C 229058194 344581063 /nfs/dbraw/zinc/58/10/63/344581063.db2.gz UIRJWNDIGGDTJH-HZGVNTEJSA-N 0 0 177.251 1.914 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@H]1CC[C@@H](C)C1 229067392 344581103 /nfs/dbraw/zinc/58/11/03/344581103.db2.gz YMJAFVUDLNTDSC-KXUCPTDWSA-N 0 0 196.294 1.343 10 0 ADAERN Cc1ncc(NC[C@H](C)CO)nc1C 229062913 344581112 /nfs/dbraw/zinc/58/11/12/344581112.db2.gz OCBYHBSWENXPFV-ZETCQYMHSA-N 0 0 195.266 1.134 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@@H]1CC[C@@H](C)C1 229067368 344581176 /nfs/dbraw/zinc/58/11/76/344581176.db2.gz YMJAFVUDLNTDSC-OPRDCNLKSA-N 0 0 196.294 1.343 10 0 ADAERN CSCCNc1cnc(C)c(C)n1 229060532 344581222 /nfs/dbraw/zinc/58/12/22/344581222.db2.gz OYIOQAWAAQQQJB-UHFFFAOYSA-N 0 0 197.307 1.868 10 0 ADAERN Cc1ncc(N[C@@H]2C[C@@H]2C)nc1C 229058206 344581250 /nfs/dbraw/zinc/58/12/50/344581250.db2.gz UIRJWNDIGGDTJH-IMTBSYHQSA-N 0 0 177.251 1.914 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H](O)C1CCCC1 229092828 344581915 /nfs/dbraw/zinc/58/19/15/344581915.db2.gz UZEWSCLEZAYTHO-MIMYLULJSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@@H](O)C1CCCC1 229091638 344581983 /nfs/dbraw/zinc/58/19/83/344581983.db2.gz GTYKLWSROJTABJ-GDPRMGEGSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H](O)C1CCCC1 229092846 344581989 /nfs/dbraw/zinc/58/19/89/344581989.db2.gz UZEWSCLEZAYTHO-DVVUODLYSA-N 0 0 184.279 1.963 10 0 ADAERN CSC(C)(C)CN1CCC(=O)C1 229112548 344582320 /nfs/dbraw/zinc/58/23/20/344582320.db2.gz ZQZYKBIIUJCFFO-UHFFFAOYSA-N 0 0 187.308 1.403 10 0 ADAERN C[C@H]1C[C@H]1Nc1cnnc(Cl)c1 229116449 344582339 /nfs/dbraw/zinc/58/23/39/344582339.db2.gz QWOFFFVTTCZHGG-CAHLUQPWSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cnnc(Cl)c1 229116432 344582406 /nfs/dbraw/zinc/58/24/06/344582406.db2.gz QWOFFFVTTCZHGG-IYSWYEEDSA-N 0 0 183.642 1.950 10 0 ADAERN FC(F)CNc1cnnc(Cl)c1 229118720 344582437 /nfs/dbraw/zinc/58/24/37/344582437.db2.gz QNBUUTGYLDGFCO-UHFFFAOYSA-N 0 0 193.584 1.807 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cnnc(Cl)c1 229116402 344582526 /nfs/dbraw/zinc/58/25/26/344582526.db2.gz QWOFFFVTTCZHGG-VDTYLAMSSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cnnc(Cl)c1 229116420 344582648 /nfs/dbraw/zinc/58/26/48/344582648.db2.gz QWOFFFVTTCZHGG-FSPLSTOPSA-N 0 0 183.642 1.950 10 0 ADAERN O=C1CCN(CCC2CCC2)C1 229112471 344582655 /nfs/dbraw/zinc/58/26/55/344582655.db2.gz YGPVLDXHGHPSCU-UHFFFAOYSA-N 0 0 167.252 1.451 10 0 ADAERN C[C@@H](NC1COC1)c1cncs1 229131268 344582861 /nfs/dbraw/zinc/58/28/61/344582861.db2.gz OKWNXFUZFUNNAH-ZCFIWIBFSA-N 0 0 184.264 1.193 10 0 ADAERN Clc1cc(NCC2CC2)cnn1 229122489 344582970 /nfs/dbraw/zinc/58/29/70/344582970.db2.gz LPBFTANFHHOOLL-UHFFFAOYSA-N 0 0 183.642 1.952 10 0 ADAERN C[C@H](NC1COC1)c1cncs1 229131277 344583003 /nfs/dbraw/zinc/58/30/03/344583003.db2.gz OKWNXFUZFUNNAH-LURJTMIESA-N 0 0 184.264 1.193 10 0 ADAERN CCCNc1cnnc(Cl)c1 229122309 344583020 /nfs/dbraw/zinc/58/30/20/344583020.db2.gz QKYSQPMNBRXUIN-UHFFFAOYSA-N 0 0 171.631 1.952 10 0 ADAERN Clc1cc(NC2CC2)cnn1 229122380 344583143 /nfs/dbraw/zinc/58/31/43/344583143.db2.gz FDSGVRIEHIYTGE-UHFFFAOYSA-N 0 0 169.615 1.704 10 0 ADAERN C[C@@H](c1cscn1)n1nccc1N 229137830 344583479 /nfs/dbraw/zinc/58/34/79/344583479.db2.gz ABWJGJLBWNPLHI-LURJTMIESA-N 0 0 194.263 1.531 10 0 ADAERN C[C@H](c1cncs1)n1nccc1N 229137863 344583508 /nfs/dbraw/zinc/58/35/08/344583508.db2.gz NUKVWAGNDXAPOW-ZCFIWIBFSA-N 0 0 194.263 1.531 10 0 ADAERN C[C@H](c1cscn1)n1nccc1N 229137821 344583569 /nfs/dbraw/zinc/58/35/69/344583569.db2.gz ABWJGJLBWNPLHI-ZCFIWIBFSA-N 0 0 194.263 1.531 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H]([NH3+])c1c(Cl)cnn1C 229142675 344583593 /nfs/dbraw/zinc/58/35/93/344583593.db2.gz XQJBYTDFODWYJG-ATRFCDNQSA-N 0 0 199.685 1.729 10 0 ADAERN C[C@@H](c1cncs1)n1nccc1N 229137872 344583644 /nfs/dbraw/zinc/58/36/44/344583644.db2.gz NUKVWAGNDXAPOW-LURJTMIESA-N 0 0 194.263 1.531 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1c(Cl)cnn1C 229142653 344583788 /nfs/dbraw/zinc/58/37/88/344583788.db2.gz XQJBYTDFODWYJG-GKROBHDKSA-N 0 0 199.685 1.729 10 0 ADAERN Cc1nc(-c2csc(=O)[nH]2)cs1 229153613 344583913 /nfs/dbraw/zinc/58/39/13/344583913.db2.gz XKWWAWUXJNANAB-UHFFFAOYSA-N 0 0 198.272 1.868 10 0 ADAERN CNc1ccc(-c2cncs2)nn1 229154325 344584043 /nfs/dbraw/zinc/58/40/43/344584043.db2.gz IXLPKVMWMQBRHI-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN Cc1nc(-c2ccc(=O)[nH]n2)cs1 229153983 344584152 /nfs/dbraw/zinc/58/41/52/344584152.db2.gz OWJGDKJNVCMTNF-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN O=C1CCN(CCC2CCC2)C(=O)N1 229147472 344584181 /nfs/dbraw/zinc/58/41/81/344584181.db2.gz NUCWQBKGQVWCKX-UHFFFAOYSA-N 0 0 196.250 1.119 10 0 ADAERN O=c1[nH]c(-c2cscn2)cs1 229153602 344584201 /nfs/dbraw/zinc/58/42/01/344584201.db2.gz CRZYWDXHIRFNOO-UHFFFAOYSA-N 0 0 184.245 1.560 10 0 ADAERN Cc1nc(-c2ccc(N)nn2)cs1 229154251 344584219 /nfs/dbraw/zinc/58/42/19/344584219.db2.gz HDIPLBBNHGDXKM-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN NN=c1[nH]c(-c2cscn2)cs1 229154189 344584257 /nfs/dbraw/zinc/58/42/57/344584257.db2.gz VCNZSMDNOFWMIQ-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Nc1ccc(-c2cscn2)nn1 229154271 344584324 /nfs/dbraw/zinc/58/43/24/344584324.db2.gz LLVQCMJTLHTUFC-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O=c1[nH]c(-c2cncs2)cs1 229153626 344584380 /nfs/dbraw/zinc/58/43/80/344584380.db2.gz WDLZFIXJKFUSQD-UHFFFAOYSA-N 0 0 184.245 1.560 10 0 ADAERN Cc1cc(C(N)=S)ccc1CO 229160041 344584581 /nfs/dbraw/zinc/58/45/81/344584581.db2.gz KCGGMGHDEJWKPB-UHFFFAOYSA-N 0 0 181.260 1.122 10 0 ADAERN CNc1nccc(-c2cncs2)n1 229155034 344584657 /nfs/dbraw/zinc/58/46/57/344584657.db2.gz BQXTUKLDNHRQRT-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN Nc1nccc(-c2cscn2)n1 229154998 344584742 /nfs/dbraw/zinc/58/47/42/344584742.db2.gz FJNHIWLWZHPFRY-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN COCC(=O)C1(C)CCCC1 229179786 344585230 /nfs/dbraw/zinc/58/52/30/344585230.db2.gz WMCDJNFCDZINPU-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN COCC(=O)c1ccc(C)cc1F 229181475 344585238 /nfs/dbraw/zinc/58/52/38/344585238.db2.gz NYUSRJHSKCGXNP-UHFFFAOYSA-N 0 0 182.194 1.963 10 0 ADAERN COC(=O)Cc1ccc(F)cc1C 229180587 344585240 /nfs/dbraw/zinc/58/52/40/344585240.db2.gz IRCLAEKWUXWLGH-UHFFFAOYSA-N 0 0 182.194 1.850 10 0 ADAERN COCC(=O)c1coc(C)c1 229180441 344585257 /nfs/dbraw/zinc/58/52/57/344585257.db2.gz GPINAVGNWXCLKL-UHFFFAOYSA-N 0 0 154.165 1.417 10 0 ADAERN COCC(=O)c1ccc(C)o1 229179271 344585307 /nfs/dbraw/zinc/58/53/07/344585307.db2.gz KPQGMWTVKGHRKH-UHFFFAOYSA-N 0 0 154.165 1.417 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1C[NH+](C)C 229192024 344585375 /nfs/dbraw/zinc/58/53/75/344585375.db2.gz JMBPPGBYURDURJ-UHFFFAOYSA-N 0 0 193.246 1.755 10 0 ADAERN CC(C)=CCN1CCC(=O)C1 229201668 344585624 /nfs/dbraw/zinc/58/56/24/344585624.db2.gz RCVDTXLPFDEAJG-UHFFFAOYSA-N 0 0 153.225 1.227 10 0 ADAERN CC(C)=CCN1CCC(=O)CC1=O 229201536 344585711 /nfs/dbraw/zinc/58/57/11/344585711.db2.gz SFLODSZQXJHBNW-UHFFFAOYSA-N 0 0 181.235 1.144 10 0 ADAERN C[C@H](NN)[C@@H]1CC[C@@H](C)C1 229219982 344586151 /nfs/dbraw/zinc/58/61/51/344586151.db2.gz FLRXIIQSCJOGRO-GJMOJQLCSA-N 0 0 142.246 1.274 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](C)NN)C1 229219992 344586166 /nfs/dbraw/zinc/58/61/66/344586166.db2.gz FLRXIIQSCJOGRO-PRJMDXOYSA-N 0 0 142.246 1.274 10 0 ADAERN CC(C)=CCNc1ccncn1 229215868 344586192 /nfs/dbraw/zinc/58/61/92/344586192.db2.gz HYZWXKKBFIPRJJ-UHFFFAOYSA-N 0 0 163.224 1.855 10 0 ADAERN C[C@H](NN)[C@H]1CC[C@@H](C)C1 229219999 344586256 /nfs/dbraw/zinc/58/62/56/344586256.db2.gz FLRXIIQSCJOGRO-CSMHCCOUSA-N 0 0 142.246 1.274 10 0 ADAERN CC[C@H](NN)[C@@H]1CC[C@@H](C)C1 229216566 344586311 /nfs/dbraw/zinc/58/63/11/344586311.db2.gz DWLUUNIUJAOYFJ-HLTSFMKQSA-N 0 0 156.273 1.665 10 0 ADAERN Cn1ccnc1-c1ccnc(N)c1 229218284 344586341 /nfs/dbraw/zinc/58/63/41/344586341.db2.gz GYQPHBZUAGEKFA-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC[C@H](NN)[C@H]1CC[C@@H](C)C1 229216586 344586361 /nfs/dbraw/zinc/58/63/61/344586361.db2.gz DWLUUNIUJAOYFJ-VGMNWLOBSA-N 0 0 156.273 1.665 10 0 ADAERN CC(C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] 229221132 344586412 /nfs/dbraw/zinc/58/64/12/344586412.db2.gz MDUJHBPNGRCMFE-LPEHRKFASA-N 0 0 197.278 1.580 10 0 ADAERN CC(C)=CCNc1nc(C)no1 229213884 344586444 /nfs/dbraw/zinc/58/64/44/344586444.db2.gz IGOCRTXOGOPFGI-UHFFFAOYSA-N 0 0 167.212 1.756 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H](C)NN)C1 229219973 344586497 /nfs/dbraw/zinc/58/64/97/344586497.db2.gz FLRXIIQSCJOGRO-BWZBUEFSSA-N 0 0 142.246 1.274 10 0 ADAERN CC[C@@H]1CC[C@@H]([C@@H](C)NN)C1 229235716 344587424 /nfs/dbraw/zinc/58/74/24/344587424.db2.gz DXOAZPCDGFHLDA-IWSPIJDZSA-N 0 0 156.273 1.665 10 0 ADAERN C[C@@H]1C[C@H]([C@@H](O)c2cccnc2)CO1 229240387 344587445 /nfs/dbraw/zinc/58/74/45/344587445.db2.gz AVLPEEKHJMPRIK-MIMYLULJSA-N 0 0 193.246 1.540 10 0 ADAERN CC[C@@H]1CC[C@H]([C@@H](C)NN)C1 229235696 344587556 /nfs/dbraw/zinc/58/75/56/344587556.db2.gz DXOAZPCDGFHLDA-HLTSFMKQSA-N 0 0 156.273 1.665 10 0 ADAERN C[C@@H]1C[C@@H]([C@@H](O)c2cccnc2)CO1 229240407 344587593 /nfs/dbraw/zinc/58/75/93/344587593.db2.gz AVLPEEKHJMPRIK-IEBDPFPHSA-N 0 0 193.246 1.540 10 0 ADAERN C[C@H](NN)[C@@H]1CCc2ccccc21 229255069 344587747 /nfs/dbraw/zinc/58/77/47/344587747.db2.gz SFRGAOCNBLIXOI-WPRPVWTQSA-N 0 0 176.263 1.568 10 0 ADAERN C[C@@H](NN)[C@@H]1CCc2ccccc21 229255058 344587823 /nfs/dbraw/zinc/58/78/23/344587823.db2.gz SFRGAOCNBLIXOI-SCZZXKLOSA-N 0 0 176.263 1.568 10 0 ADAERN C[C@@H](NN)[C@H]1CCc2ccccc21 229255082 344587916 /nfs/dbraw/zinc/58/79/16/344587916.db2.gz SFRGAOCNBLIXOI-PSASIEDQSA-N 0 0 176.263 1.568 10 0 ADAERN C[C@H](NN)C1Cc2ccccc2C1 229249317 344588042 /nfs/dbraw/zinc/58/80/42/344588042.db2.gz ZWWBRBXFIBNYJB-QMMMGPOBSA-N 0 0 176.263 1.253 10 0 ADAERN C[C@H](NN)[C@H]1CCc2ccccc21 229255097 344588048 /nfs/dbraw/zinc/58/80/48/344588048.db2.gz SFRGAOCNBLIXOI-WCBMZHEXSA-N 0 0 176.263 1.568 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H]([NH3+])c1ccoc1 229256904 344588326 /nfs/dbraw/zinc/58/83/26/344588326.db2.gz BDTNIBPDQWIPMP-JEZHCXPESA-N 0 0 181.235 1.704 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](NN)C(C)(C)C 229273445 344588330 /nfs/dbraw/zinc/58/83/30/344588330.db2.gz GSZFTCNJRYPRDV-GJMOJQLCSA-N 0 0 156.273 1.520 10 0 ADAERN O=S1CCC(n2cccc2)CC1 229270068 344588369 /nfs/dbraw/zinc/58/83/69/344588369.db2.gz YYKRNCRILBYZCT-UHFFFAOYSA-N 0 0 183.276 1.572 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](NN)c1cccs1 229265675 344588374 /nfs/dbraw/zinc/58/83/74/344588374.db2.gz HGUZTMASKRQIFT-ZXFLCMHBSA-N 0 0 182.292 1.909 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](NN)C1CCC1 229273820 344588380 /nfs/dbraw/zinc/58/83/80/344588380.db2.gz XGICHGURELPYGM-VDAHYXPESA-N 0 0 154.257 1.274 10 0 ADAERN CC(C)=C[C@H](NN)[C@H]1C[C@H]1C 229275426 344588416 /nfs/dbraw/zinc/58/84/16/344588416.db2.gz MECBAJAGIGBYEA-VGMNWLOBSA-N 0 0 154.257 1.441 10 0 ADAERN CC(C)[C@H](NN)[C@@H]1C[C@@H]1C 229267076 344588528 /nfs/dbraw/zinc/58/85/28/344588528.db2.gz WENWNWCSAQBUTP-RNJXMRFFSA-N 0 0 142.246 1.130 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](NN)C(C)(C)C 229273457 344588431 /nfs/dbraw/zinc/58/84/31/344588431.db2.gz GSZFTCNJRYPRDV-BWZBUEFSSA-N 0 0 156.273 1.520 10 0 ADAERN C[C@@H]1C[C@@H]([C@@H]([NH3+])c2ccoc2)CO1 229257033 344588464 /nfs/dbraw/zinc/58/84/64/344588464.db2.gz GEZJPALXGLLBGN-QNSHHTMESA-N 0 0 181.235 1.704 10 0 ADAERN C[C@@H]1C[C@H]([C@@H]([NH3+])c2ccoc2)CO1 229257014 344588491 /nfs/dbraw/zinc/58/84/91/344588491.db2.gz GEZJPALXGLLBGN-JEZHCXPESA-N 0 0 181.235 1.704 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](NN)C1CCC1 229273795 344588504 /nfs/dbraw/zinc/58/85/04/344588504.db2.gz XGICHGURELPYGM-YEPSODPASA-N 0 0 154.257 1.274 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H]([NH3+])c1ccoc1 229256924 344588519 /nfs/dbraw/zinc/58/85/19/344588519.db2.gz BDTNIBPDQWIPMP-FKTZTGRPSA-N 0 0 181.235 1.704 10 0 ADAERN N#CNCC1CCSCC1 229260478 344588541 /nfs/dbraw/zinc/58/85/41/344588541.db2.gz QSAOFNXISUAYMZ-UHFFFAOYSA-N 0 0 156.254 1.200 10 0 ADAERN CC(C)=C[C@H](NN)[C@H]1C[C@@H]1C 229275438 344588549 /nfs/dbraw/zinc/58/85/49/344588549.db2.gz MECBAJAGIGBYEA-CIUDSAMLSA-N 0 0 154.257 1.441 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](NN)c1cccs1 229265657 344588576 /nfs/dbraw/zinc/58/85/76/344588576.db2.gz HGUZTMASKRQIFT-BKPPORCPSA-N 0 0 182.292 1.909 10 0 ADAERN CC(C)[C@H](NN)[C@H]1C[C@@H]1C 229267096 344588631 /nfs/dbraw/zinc/58/86/31/344588631.db2.gz WENWNWCSAQBUTP-FXQIFTODSA-N 0 0 142.246 1.130 10 0 ADAERN NNC[C@@H]1CCC2(CCCCC2)O1 229262757 344588636 /nfs/dbraw/zinc/58/86/36/344588636.db2.gz JUCXXBRYPBCJAY-VIFPVBQESA-N 0 0 184.283 1.332 10 0 ADAERN CC(C)=C[C@H](NN)[C@@H]1C[C@H]1C 229275449 344588931 /nfs/dbraw/zinc/58/89/31/344588931.db2.gz MECBAJAGIGBYEA-HLTSFMKQSA-N 0 0 154.257 1.441 10 0 ADAERN Fc1cc(NCc2cc[nH]n2)ccn1 229292349 344588947 /nfs/dbraw/zinc/58/89/47/344588947.db2.gz RUCHAHQMLQUNFK-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN CC(C)=C[C@H](NN)[C@@H]1C[C@@H]1C 229275458 344588986 /nfs/dbraw/zinc/58/89/86/344588986.db2.gz MECBAJAGIGBYEA-YIZRAAEISA-N 0 0 154.257 1.441 10 0 ADAERN C[C@@H](N)c1nnc([C@@H]2CC2(C)C)o1 229298638 344589523 /nfs/dbraw/zinc/58/95/23/344589523.db2.gz PFFVFNJYHWMQNK-RITPCOANSA-N 0 0 181.239 1.603 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] 229295466 344589556 /nfs/dbraw/zinc/58/95/56/344589556.db2.gz OGXPMZGZSMOQAH-DTWKUNHWSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@@H](N)c1nnc(-c2cncs2)o1 229298502 344589577 /nfs/dbraw/zinc/58/95/77/344589577.db2.gz NXALADIJTPOOOM-SCSAIBSYSA-N 0 0 196.235 1.213 10 0 ADAERN C[C@@H](N)c1nnc([C@H]2CC2(C)C)o1 229298654 344589616 /nfs/dbraw/zinc/58/96/16/344589616.db2.gz PFFVFNJYHWMQNK-PHDIDXHHSA-N 0 0 181.239 1.603 10 0 ADAERN CC[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] 229296202 344589704 /nfs/dbraw/zinc/58/97/04/344589704.db2.gz ZLESTSAGYXNZRY-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] 229295453 344589808 /nfs/dbraw/zinc/58/98/08/344589808.db2.gz OGXPMZGZSMOQAH-RKDXNWHRSA-N 0 0 185.267 1.580 10 0 ADAERN CCOc1cc(=O)[nH]c(C(C)C)n1 229305787 344590096 /nfs/dbraw/zinc/59/00/96/344590096.db2.gz FSFQKXBDKHUGKG-UHFFFAOYSA-N 0 0 182.223 1.292 10 0 ADAERN COC(C)(C)C(=O)NC(C)(C)C 229308003 344590114 /nfs/dbraw/zinc/59/01/14/344590114.db2.gz PGOHGUNKTFZTNW-UHFFFAOYSA-N 0 0 173.256 1.326 10 0 ADAERN CCNC(=O)Nc1cccc(C=O)c1 229303924 344590138 /nfs/dbraw/zinc/59/01/38/344590138.db2.gz IAOGSSWVDGDFJE-UHFFFAOYSA-N 0 0 192.218 1.641 10 0 ADAERN CCc1nc(OC(C)C)cc(=O)[nH]1 229305770 344590181 /nfs/dbraw/zinc/59/01/81/344590181.db2.gz UTQJREYELGPAML-UHFFFAOYSA-N 0 0 182.223 1.120 10 0 ADAERN Cc1nc(OC(C)C)cc(=O)[nH]1 229305743 344590193 /nfs/dbraw/zinc/59/01/93/344590193.db2.gz CFSNEIMDGTZEOX-UHFFFAOYSA-N 0 0 168.196 1.278 10 0 ADAERN C[C@@H](c1ccccc1)n1cc[nH]c1=O 229303170 344590238 /nfs/dbraw/zinc/59/02/38/344590238.db2.gz GXQGYIRIMJUELT-VIFPVBQESA-N 0 0 188.230 1.786 10 0 ADAERN C[C@H](c1ccccc1)n1cc[nH]c1=O 229303182 344590336 /nfs/dbraw/zinc/59/03/36/344590336.db2.gz GXQGYIRIMJUELT-SECBINFHSA-N 0 0 188.230 1.786 10 0 ADAERN O=c1cc2cc3c(cc2c[nH]1)OCO3 229305537 344590368 /nfs/dbraw/zinc/59/03/68/344590368.db2.gz ODVNFPKFLAQLDM-UHFFFAOYSA-N 0 0 189.170 1.669 10 0 ADAERN CCCCc1cc(=O)[nH]c(C)n1 229311011 344590900 /nfs/dbraw/zinc/59/09/00/344590900.db2.gz AXEMLUSLEZODLY-UHFFFAOYSA-N 0 0 166.224 1.421 10 0 ADAERN Cc1cc(NC(=O)n2ccnc2)on1 229311087 344590909 /nfs/dbraw/zinc/59/09/09/344590909.db2.gz IAVINIKLODDGQA-UHFFFAOYSA-N 0 0 192.178 1.260 10 0 ADAERN CC(C)[C@](C)(O)CC(N)=S 229341572 344591724 /nfs/dbraw/zinc/59/17/24/344591724.db2.gz HMVYVIRLAJQGMR-SSDOTTSWSA-N 0 0 161.270 1.070 10 0 ADAERN CC(C)[C@@](C)(O)CC(N)=S 229341560 344591888 /nfs/dbraw/zinc/59/18/88/344591888.db2.gz HMVYVIRLAJQGMR-ZETCQYMHSA-N 0 0 161.270 1.070 10 0 ADAERN CC(C)[C@@](C)(O)CN1CCCC(=O)C1 229344588 344592092 /nfs/dbraw/zinc/59/20/92/344592092.db2.gz LVEAVSPTVHKAHK-NSHDSACASA-N 0 0 199.294 1.058 10 0 ADAERN CC(C)[C@](C)(O)CN1CCCC(=O)C1 229344611 344592212 /nfs/dbraw/zinc/59/22/12/344592212.db2.gz LVEAVSPTVHKAHK-LLVKDONJSA-N 0 0 199.294 1.058 10 0 ADAERN C[C@H]1C[C@@H](C)CN(C(N)=O)[C@@H]1C 229383285 344593065 /nfs/dbraw/zinc/59/30/65/344593065.db2.gz QCGFOZOXTIADDR-GJMOJQLCSA-N 0 0 170.256 1.432 10 0 ADAERN CC(C)=CCNc1cnc(N)cn1 229377024 344593177 /nfs/dbraw/zinc/59/31/77/344593177.db2.gz NGLGCMBGWMVGLN-UHFFFAOYSA-N 0 0 178.239 1.437 10 0 ADAERN CO[C@H](C)[C@@H](C)n1nc(C)cc1N 229386246 344593197 /nfs/dbraw/zinc/59/31/97/344593197.db2.gz NXJPUOXXNHRNLI-HTQZYQBOSA-N 0 0 183.255 1.370 10 0 ADAERN CO[C@H](C)[C@H](C)n1nc(C)cc1N 229386265 344593221 /nfs/dbraw/zinc/59/32/21/344593221.db2.gz NXJPUOXXNHRNLI-JGVFFNPUSA-N 0 0 183.255 1.370 10 0 ADAERN CC(C)=CCNc1nc(N)ns1 229376296 344593226 /nfs/dbraw/zinc/59/32/26/344593226.db2.gz OCEUOWZNXFGABQ-UHFFFAOYSA-N 0 0 184.268 1.498 10 0 ADAERN CO[C@H](C)[C@@H](C)Nc1cn[nH]c1 229374791 344593241 /nfs/dbraw/zinc/59/32/41/344593241.db2.gz LWUCKLJCMBJEOJ-RNFRBKRXSA-N 0 0 169.228 1.245 10 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1.509 10 0 ADAERN CC(C)=C[C@@H](NN)c1ccc(F)cn1 229533785 344601144 /nfs/dbraw/zinc/60/11/44/344601144.db2.gz DZCAHHLHPPXFGV-SNVBAGLBSA-N 0 0 195.241 1.691 10 0 ADAERN Cc1ccoc1[C@H]1NCCS1 229538972 344601245 /nfs/dbraw/zinc/60/12/45/344601245.db2.gz UYHVLEYVTHGZSF-QMMMGPOBSA-N 0 0 169.249 1.923 10 0 ADAERN C[C@@H]1CN([C@@H]2CCCC2=O)CCC1=O 229541437 344601553 /nfs/dbraw/zinc/60/15/53/344601553.db2.gz VSNDVKPIXUWATR-RKDXNWHRSA-N 0 0 195.262 1.019 10 0 ADAERN CNC(=O)Nc1cc(N)cc(F)c1 229540592 344601730 /nfs/dbraw/zinc/60/17/30/344601730.db2.gz COIJWVCLXFBNIP-UHFFFAOYSA-N 0 0 183.186 1.159 10 0 ADAERN CCOC(=O)Nc1cc(N)cc(F)c1 229540561 344601732 /nfs/dbraw/zinc/60/17/32/344601732.db2.gz HVHOWVAHDWSQBT-UHFFFAOYSA-N 0 0 198.197 1.976 10 0 ADAERN C[C@H]1CN([C@@H]2CCCC2=O)CCC1=O 229541450 344601868 /nfs/dbraw/zinc/60/18/68/344601868.db2.gz VSNDVKPIXUWATR-DTWKUNHWSA-N 0 0 195.262 1.019 10 0 ADAERN CCC(=O)[C@H](C)N1CCC(=O)[C@@H](C)C1 229542762 344602063 /nfs/dbraw/zinc/60/20/63/344602063.db2.gz GRAYRGYQWNFKCU-IUCAKERBSA-N 0 0 197.278 1.265 10 0 ADAERN Cc1ccoc1[C@@H]1CNC(=O)C1 229555266 344602619 /nfs/dbraw/zinc/60/26/19/344602619.db2.gz CVTFTUYUGJNPEN-ZETCQYMHSA-N 0 0 165.192 1.192 10 0 ADAERN Cc1ccoc1[C@@H]1CC(=O)N[C@H]1C 229555305 344602746 /nfs/dbraw/zinc/60/27/46/344602746.db2.gz DQACIYFCPKHVFR-JGVFFNPUSA-N 0 0 179.219 1.580 10 0 ADAERN Cc1ccoc1[C@H]1CNC(=O)C1 229555274 344602760 /nfs/dbraw/zinc/60/27/60/344602760.db2.gz CVTFTUYUGJNPEN-SSDOTTSWSA-N 0 0 165.192 1.192 10 0 ADAERN CCC1(n2c(=O)[nH][nH]c2=S)CCC1 229554390 344602776 /nfs/dbraw/zinc/60/27/76/344602776.db2.gz YGDSJMNRIAIFJF-UHFFFAOYSA-N 0 0 199.279 1.149 10 0 ADAERN Cc1ccoc1[C@@H]1CC(=O)N[C@@H]1C 229555315 344602785 /nfs/dbraw/zinc/60/27/85/344602785.db2.gz DQACIYFCPKHVFR-HTQZYQBOSA-N 0 0 179.219 1.580 10 0 ADAERN Cc1ccoc1[C@H]1CC(=O)N[C@H]1C 229555286 344602901 /nfs/dbraw/zinc/60/29/01/344602901.db2.gz DQACIYFCPKHVFR-YUMQZZPRSA-N 0 0 179.219 1.580 10 0 ADAERN Cc1ccoc1[C@H]1CC(=O)N[C@@H]1C 229555295 344602967 /nfs/dbraw/zinc/60/29/67/344602967.db2.gz DQACIYFCPKHVFR-SFYZADRCSA-N 0 0 179.219 1.580 10 0 ADAERN CCC1(N2C[C@@H](CO)CC2=O)CCC1 229555783 344603247 /nfs/dbraw/zinc/60/32/47/344603247.db2.gz KSNZYQNFAAEFRZ-VIFPVBQESA-N 0 0 197.278 1.160 10 0 ADAERN CCC1(N2C[C@H](CO)CC2=O)CCC1 229555796 344603315 /nfs/dbraw/zinc/60/33/15/344603315.db2.gz KSNZYQNFAAEFRZ-SECBINFHSA-N 0 0 197.278 1.160 10 0 ADAERN CCC1(N2C(=S)N=NC2N)CCC1 229559229 344603364 /nfs/dbraw/zinc/60/33/64/344603364.db2.gz JGSWUYQRMMQGPM-UHFFFAOYSA-N 0 0 198.295 1.438 10 0 ADAERN CCC1(NC=O)CCC1 229559750 344603819 /nfs/dbraw/zinc/60/38/19/344603819.db2.gz ATGLMHZDVNBIDV-UHFFFAOYSA-N 0 0 127.187 1.065 10 0 ADAERN Cc1ccoc1C[C@@H]1CCC(=O)N1 229562042 344604325 /nfs/dbraw/zinc/60/43/25/344604325.db2.gz YLXGAQIIJLCWSN-QMMMGPOBSA-N 0 0 179.219 1.409 10 0 ADAERN Cc1ccoc1C[C@H]1CCC(=O)N1 229562048 344604348 /nfs/dbraw/zinc/60/43/48/344604348.db2.gz YLXGAQIIJLCWSN-MRVPVSSYSA-N 0 0 179.219 1.409 10 0 ADAERN CC1CN(c2cc(N)cc(F)c2)C1 229564307 344604947 /nfs/dbraw/zinc/60/49/47/344604947.db2.gz LBRLBIXHSYOGPJ-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN Nc1cc(F)cc(N2CC=CC2)c1 229564256 344605090 /nfs/dbraw/zinc/60/50/90/344605090.db2.gz FBRPDAOQIYGBRJ-UHFFFAOYSA-N 0 0 178.210 1.784 10 0 ADAERN CCC1(Nc2nc(N)ns2)CCC1 229570845 344605797 /nfs/dbraw/zinc/60/57/97/344605797.db2.gz WDZRBKMHIYRYFD-UHFFFAOYSA-N 0 0 198.295 1.865 10 0 ADAERN CCC1(N2CCNC2=O)CCC1 229574020 344605809 /nfs/dbraw/zinc/60/58/09/344605809.db2.gz JLOGMORSXAWWNX-UHFFFAOYSA-N 0 0 168.240 1.344 10 0 ADAERN CCC1(Nc2cncc(N)n2)CCC1 229571169 344605839 /nfs/dbraw/zinc/60/58/39/344605839.db2.gz WIGGPEXQLYUGGZ-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN CCC1(Nc2n[nH]c(N)n2)CCC1 229570831 344606082 /nfs/dbraw/zinc/60/60/82/344606082.db2.gz QPRIKBDBEXKNGR-UHFFFAOYSA-N 0 0 181.243 1.132 10 0 ADAERN CCC1(N2CCCNC2=O)CCC1 229574028 344606184 /nfs/dbraw/zinc/60/61/84/344606184.db2.gz ZTLHYBLCUZXQAV-UHFFFAOYSA-N 0 0 182.267 1.734 10 0 ADAERN CC(C)(C)[C@@H](NN)[C@]1(C)CCCO1 229583020 344606320 /nfs/dbraw/zinc/60/63/20/344606320.db2.gz BAVKVPGKEOQSTE-SCZZXKLOSA-N 0 0 186.299 1.434 10 0 ADAERN CC(C)(C)[C@@H](NN)[C@@]1(C)CCCO1 229583007 344606627 /nfs/dbraw/zinc/60/66/27/344606627.db2.gz BAVKVPGKEOQSTE-PSASIEDQSA-N 0 0 186.299 1.434 10 0 ADAERN CC(C)(C)[C@H](NN)[C@]1(C)CCCO1 229583027 344606748 /nfs/dbraw/zinc/60/67/48/344606748.db2.gz BAVKVPGKEOQSTE-WPRPVWTQSA-N 0 0 186.299 1.434 10 0 ADAERN CON[C@H]1CCc2cc(O)ccc21 229611758 344606880 /nfs/dbraw/zinc/60/68/80/344606880.db2.gz OCLVDQSFPSIVJW-JTQLQIEISA-N 0 0 179.219 1.531 10 0 ADAERN Cc1cc(-c2cncc(N)n2)ccn1 229600490 344606909 /nfs/dbraw/zinc/60/69/09/344606909.db2.gz ZFSAJNSZSSRNIK-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1cscc1[C@H](C)NN 229599754 344607026 /nfs/dbraw/zinc/60/70/26/344607026.db2.gz IOSRLFWLFMDSCB-LURJTMIESA-N 0 0 156.254 1.581 10 0 ADAERN C[C@@H](NN)c1ccc(Cl)cn1 229594019 344607231 /nfs/dbraw/zinc/60/72/31/344607231.db2.gz ATIJPCBJMJGFSN-RXMQYKEDSA-N 0 0 171.631 1.259 10 0 ADAERN CC(C)[C@@H](NN)c1ccc(Cl)nc1 229619494 344607627 /nfs/dbraw/zinc/60/76/27/344607627.db2.gz SSCCGJUPDSHSET-SECBINFHSA-N 0 0 199.685 1.895 10 0 ADAERN C[C@H](Nc1cn[nH]c1)[C@H]1CCOC1 229622692 344607634 /nfs/dbraw/zinc/60/76/34/344607634.db2.gz KPLCXJXOMUPDOC-YUMQZZPRSA-N 0 0 181.239 1.247 10 0 ADAERN CC(C)(C)[C@H](NN)C1(C)CC1 229629128 344607988 /nfs/dbraw/zinc/60/79/88/344607988.db2.gz NRDGUSONSOGIHT-ZETCQYMHSA-N 0 0 156.273 1.665 10 0 ADAERN Cc1ccncc1[C@H](NN)C1(C)CC1 229627319 344608057 /nfs/dbraw/zinc/60/80/57/344608057.db2.gz GWJHGHVKISVCJX-JTQLQIEISA-N 0 0 191.278 1.695 10 0 ADAERN CC[C@H]1CCC[C@H]1NOC 229642392 344608140 /nfs/dbraw/zinc/60/81/40/344608140.db2.gz SKGQFYAARKKTKM-JGVFFNPUSA-N 0 0 143.230 1.716 10 0 ADAERN CC[C@H]1CCC[C@@H]1NOC 229642380 344608154 /nfs/dbraw/zinc/60/81/54/344608154.db2.gz SKGQFYAARKKTKM-YUMQZZPRSA-N 0 0 143.230 1.716 10 0 ADAERN CC(C)=C[C@@H](NN)C1(C)CC1 229630068 344608161 /nfs/dbraw/zinc/60/81/61/344608161.db2.gz YVHIYXABTUNSRB-MRVPVSSYSA-N 0 0 154.257 1.585 10 0 ADAERN CC(C)(C)[C@@H](NN)C1(C)CC1 229629120 344608184 /nfs/dbraw/zinc/60/81/84/344608184.db2.gz NRDGUSONSOGIHT-SSDOTTSWSA-N 0 0 156.273 1.665 10 0 ADAERN CC1([C@H](NN)c2ccoc2)CC1 229629261 344608200 /nfs/dbraw/zinc/60/82/00/344608200.db2.gz DSAZJRQOMWKFGK-MRVPVSSYSA-N 0 0 166.224 1.584 10 0 ADAERN CC1([C@H](NN)C2CCC2)CC1 229629280 344608217 /nfs/dbraw/zinc/60/82/17/344608217.db2.gz XYPFCPFSQACCNB-MRVPVSSYSA-N 0 0 154.257 1.419 10 0 ADAERN CC(C)[C@@H](NN)c1cncs1 229633934 344608270 /nfs/dbraw/zinc/60/82/70/344608270.db2.gz ZEFNDUDYDOUWCH-SSDOTTSWSA-N 0 0 171.269 1.304 10 0 ADAERN Cc1ccncc1[C@@H](NN)C1(C)CC1 229627310 344608279 /nfs/dbraw/zinc/60/82/79/344608279.db2.gz GWJHGHVKISVCJX-SNVBAGLBSA-N 0 0 191.278 1.695 10 0 ADAERN CC1([C@@H](NN)c2ccoc2)CC1 229629251 344608304 /nfs/dbraw/zinc/60/83/04/344608304.db2.gz DSAZJRQOMWKFGK-QMMMGPOBSA-N 0 0 166.224 1.584 10 0 ADAERN CC[C@@H]1CCC[C@H]1NOC 229642386 344608307 /nfs/dbraw/zinc/60/83/07/344608307.db2.gz SKGQFYAARKKTKM-HTQZYQBOSA-N 0 0 143.230 1.716 10 0 ADAERN NN[C@@H](c1cncs1)C1CC1 229631179 344608318 /nfs/dbraw/zinc/60/83/18/344608318.db2.gz UEOKMMCYLKZAAD-SSDOTTSWSA-N 0 0 169.253 1.058 10 0 ADAERN CC(C)[C@H](NN)c1cncs1 229633945 344608329 /nfs/dbraw/zinc/60/83/29/344608329.db2.gz ZEFNDUDYDOUWCH-ZETCQYMHSA-N 0 0 171.269 1.304 10 0 ADAERN NN[C@H](c1cncs1)C1CC1 229631173 344608331 /nfs/dbraw/zinc/60/83/31/344608331.db2.gz UEOKMMCYLKZAAD-ZETCQYMHSA-N 0 0 169.253 1.058 10 0 ADAERN CC(C)=C[C@H](NN)C1(C)CC1 229630074 344608350 /nfs/dbraw/zinc/60/83/50/344608350.db2.gz YVHIYXABTUNSRB-QMMMGPOBSA-N 0 0 154.257 1.585 10 0 ADAERN CC[C@@H]1CCC[C@@H]1NOC 229642369 344608393 /nfs/dbraw/zinc/60/83/93/344608393.db2.gz SKGQFYAARKKTKM-SFYZADRCSA-N 0 0 143.230 1.716 10 0 ADAERN CC[C@H](NN)c1cscn1 229647685 344608527 /nfs/dbraw/zinc/60/85/27/344608527.db2.gz FKQKQHBECVYKPH-YFKPBYRVSA-N 0 0 157.242 1.058 10 0 ADAERN Cc1cnn([C@@H](C)[C@H]2CCOC2)c1N 229645923 344608546 /nfs/dbraw/zinc/60/85/46/344608546.db2.gz FCDJENPOQBPRGN-IUCAKERBSA-N 0 0 195.266 1.371 10 0 ADAERN NN[C@H](c1ccoc1)c1cscn1 229650152 344608552 /nfs/dbraw/zinc/60/85/52/344608552.db2.gz LGKRSYIONMZSQF-MRVPVSSYSA-N 0 0 195.247 1.289 10 0 ADAERN Cc1cnn([C@@H](C)[C@@H]2CCOC2)c1N 229645910 344608559 /nfs/dbraw/zinc/60/85/59/344608559.db2.gz FCDJENPOQBPRGN-DTWKUNHWSA-N 0 0 195.266 1.371 10 0 ADAERN C[C@H]([C@@H]1CCOC1)n1nccc1N 229645854 344608561 /nfs/dbraw/zinc/60/85/61/344608561.db2.gz YGFXPZBULXAGKL-HTQZYQBOSA-N 0 0 181.239 1.063 10 0 ADAERN CC(C)[C@H](NN)c1cscn1 229646930 344608569 /nfs/dbraw/zinc/60/85/69/344608569.db2.gz NYJQHPZVYCCWMU-ZETCQYMHSA-N 0 0 171.269 1.304 10 0 ADAERN C[C@H]([C@H]1CCOC1)n1nccc1N 229645869 344608600 /nfs/dbraw/zinc/60/86/00/344608600.db2.gz YGFXPZBULXAGKL-SFYZADRCSA-N 0 0 181.239 1.063 10 0 ADAERN CC(C)[C@@H](NN)c1cscn1 229646923 344608637 /nfs/dbraw/zinc/60/86/37/344608637.db2.gz NYJQHPZVYCCWMU-SSDOTTSWSA-N 0 0 171.269 1.304 10 0 ADAERN C[C@@H]([C@H]1CCOC1)n1nccc1N 229645861 344608641 /nfs/dbraw/zinc/60/86/41/344608641.db2.gz YGFXPZBULXAGKL-YUMQZZPRSA-N 0 0 181.239 1.063 10 0 ADAERN CC[C@@H](NN)c1cscn1 229647677 344608651 /nfs/dbraw/zinc/60/86/51/344608651.db2.gz FKQKQHBECVYKPH-RXMQYKEDSA-N 0 0 157.242 1.058 10 0 ADAERN NN[C@H](c1cscn1)C1CC1 229644845 344608655 /nfs/dbraw/zinc/60/86/55/344608655.db2.gz ALSUSTOEQQUHRQ-ZETCQYMHSA-N 0 0 169.253 1.058 10 0 ADAERN NN[C@@H](c1cscn1)C1CC1 229644852 344608662 /nfs/dbraw/zinc/60/86/62/344608662.db2.gz ALSUSTOEQQUHRQ-SSDOTTSWSA-N 0 0 169.253 1.058 10 0 ADAERN NN[C@H](c1cscn1)C1CCCC1 229645678 344608675 /nfs/dbraw/zinc/60/86/75/344608675.db2.gz HBNNXEFKCMCRDL-VIFPVBQESA-N 0 0 197.307 1.838 10 0 ADAERN Cc1cnn([C@H](C)[C@H]2CCOC2)c1N 229645931 344608737 /nfs/dbraw/zinc/60/87/37/344608737.db2.gz FCDJENPOQBPRGN-BDAKNGLRSA-N 0 0 195.266 1.371 10 0 ADAERN Cc1cnn([C@H](C)[C@@H]2CCOC2)c1N 229645919 344608770 /nfs/dbraw/zinc/60/87/70/344608770.db2.gz FCDJENPOQBPRGN-RKDXNWHRSA-N 0 0 195.266 1.371 10 0 ADAERN C[C@@H]([C@@H]1CCOC1)n1nccc1N 229645850 344608778 /nfs/dbraw/zinc/60/87/78/344608778.db2.gz YGFXPZBULXAGKL-JGVFFNPUSA-N 0 0 181.239 1.063 10 0 ADAERN NN[C@@H](c1ccoc1)c1cscn1 229650141 344608804 /nfs/dbraw/zinc/60/88/04/344608804.db2.gz LGKRSYIONMZSQF-QMMMGPOBSA-N 0 0 195.247 1.289 10 0 ADAERN NN[C@@H](c1cscn1)C1CCCC1 229645685 344608808 /nfs/dbraw/zinc/60/88/08/344608808.db2.gz HBNNXEFKCMCRDL-SECBINFHSA-N 0 0 197.307 1.838 10 0 ADAERN C[C@H](c1cn[nH]c1)n1cccc1 229659057 344609138 /nfs/dbraw/zinc/60/91/38/344609138.db2.gz OMLKZGRZLWLPLM-MRVPVSSYSA-N 0 0 161.208 1.821 10 0 ADAERN CCn1cc(C=O)c([C@@H]2CCOC2)n1 229652595 344609160 /nfs/dbraw/zinc/60/91/60/344609160.db2.gz ZQCIBJULRUBKGJ-MRVPVSSYSA-N 0 0 194.234 1.219 10 0 ADAERN CCn1cc(C=O)c([C@H]2CCOC2)n1 229652603 344609170 /nfs/dbraw/zinc/60/91/70/344609170.db2.gz ZQCIBJULRUBKGJ-QMMMGPOBSA-N 0 0 194.234 1.219 10 0 ADAERN CC[C@H]1CCC[C@]12CC(=O)NC2=O 229660411 344609179 /nfs/dbraw/zinc/60/91/79/344609179.db2.gz PYJSLFVJHVWGJP-XVKPBYJWSA-N 0 0 181.235 1.229 10 0 ADAERN CC[C@@H]1CCC[C@@]12CC(=O)NC2=O 229660391 344609209 /nfs/dbraw/zinc/60/92/09/344609209.db2.gz PYJSLFVJHVWGJP-GMSGAONNSA-N 0 0 181.235 1.229 10 0 ADAERN FC(F)(F)C1(NC2CC2)CC1 229659209 344609228 /nfs/dbraw/zinc/60/92/28/344609228.db2.gz AIIVZMMRDJOGOA-UHFFFAOYSA-N 0 0 165.158 1.833 10 0 ADAERN O=C1CCN(C2(C(F)(F)F)CC2)C1 229657473 344609238 /nfs/dbraw/zinc/60/92/38/344609238.db2.gz HYNMLYUSLQEFCG-UHFFFAOYSA-N 0 0 193.168 1.356 10 0 ADAERN CC[C@@H]1CCC[C@]12CC(=O)NC2=O 229660402 344609261 /nfs/dbraw/zinc/60/92/61/344609261.db2.gz PYJSLFVJHVWGJP-XCBNKYQSSA-N 0 0 181.235 1.229 10 0 ADAERN CC[C@H]1CCC[C@@]12CC(=O)NC2=O 229660396 344609306 /nfs/dbraw/zinc/60/93/06/344609306.db2.gz PYJSLFVJHVWGJP-OIBJUYFYSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@H](c1cn[nH]c1)n1cccc1 229659049 344609329 /nfs/dbraw/zinc/60/93/29/344609329.db2.gz OMLKZGRZLWLPLM-QMMMGPOBSA-N 0 0 161.208 1.821 10 0 ADAERN FC(F)(F)C1(NC2COC2)CC1 229660947 344609624 /nfs/dbraw/zinc/60/96/24/344609624.db2.gz PZELVGNGNXNVSZ-UHFFFAOYSA-N 0 0 181.157 1.070 10 0 ADAERN NN[C@H](C1CC1)[C@H]1CCCS1 229662734 344609635 /nfs/dbraw/zinc/60/96/35/344609635.db2.gz KOILUNNUICITAU-HTQZYQBOSA-N 0 0 172.297 1.124 10 0 ADAERN CC[C@H]1CCc2cc(=O)[nH]nc21 229662986 344609676 /nfs/dbraw/zinc/60/96/76/344609676.db2.gz QWNBLOXQSDNIKW-LURJTMIESA-N 0 0 164.208 1.210 10 0 ADAERN Clc1ccc([C@H]2CCOC2)nn1 229663028 344609686 /nfs/dbraw/zinc/60/96/86/344609686.db2.gz WDPRTSNLNRZNPE-LURJTMIESA-N 0 0 184.626 1.634 10 0 ADAERN Clc1ccc([C@@H]2CCOC2)nn1 229663021 344609738 /nfs/dbraw/zinc/60/97/38/344609738.db2.gz WDPRTSNLNRZNPE-ZCFIWIBFSA-N 0 0 184.626 1.634 10 0 ADAERN NN[C@@H](C1CC1)[C@@H]1CCCS1 229662714 344609764 /nfs/dbraw/zinc/60/97/64/344609764.db2.gz KOILUNNUICITAU-YUMQZZPRSA-N 0 0 172.297 1.124 10 0 ADAERN CC[C@@H]1CCc2sc(=NN)[nH]c21 229665306 344609767 /nfs/dbraw/zinc/60/97/67/344609767.db2.gz PVMHSDWDCMPFNJ-RXMQYKEDSA-N 0 0 183.280 1.869 10 0 ADAERN CN(C)NCc1ccc2cc[nH]c2c1 229665295 344609839 /nfs/dbraw/zinc/60/98/39/344609839.db2.gz FKDGIDDYRURYEJ-UHFFFAOYSA-N 0 0 189.262 1.734 10 0 ADAERN CCNc1ccc([C@H]2CCOC2)nn1 229666292 344610011 /nfs/dbraw/zinc/61/00/11/344610011.db2.gz HTCWEOITAPEMQQ-QMMMGPOBSA-N 0 0 193.250 1.412 10 0 ADAERN CC[C@H]1CCc2cnc(N)nc21 229667248 344610044 /nfs/dbraw/zinc/61/00/44/344610044.db2.gz GYZJCSWQQZBETC-LURJTMIESA-N 0 0 163.224 1.499 10 0 ADAERN CC(C)[C@H](NN)[C@@H]1CCCS1 229666860 344610053 /nfs/dbraw/zinc/61/00/53/344610053.db2.gz RMDZHYSBYYAKFS-YUMQZZPRSA-N 0 0 174.313 1.370 10 0 ADAERN CC[C@@H]1CCc2c(NC)n[nH]c21 229666878 344610077 /nfs/dbraw/zinc/61/00/77/344610077.db2.gz JSGUPJRAARJWOK-ZCFIWIBFSA-N 0 0 165.240 1.891 10 0 ADAERN CC[C@@H]1CCc2cnc(NC)nc21 229667276 344610093 /nfs/dbraw/zinc/61/00/93/344610093.db2.gz DQFIOEWUSKNFRS-SSDOTTSWSA-N 0 0 177.251 1.958 10 0 ADAERN C[C@](N)([C@@H]1CCOC1)C(F)(F)F 229667370 344610094 /nfs/dbraw/zinc/61/00/94/344610094.db2.gz IQNNDMGELHGHIQ-RITPCOANSA-N 0 0 183.173 1.303 10 0 ADAERN CC[C@@H]1CCc2cc(N)nnc21 229666204 344610099 /nfs/dbraw/zinc/61/00/99/344610099.db2.gz URYLLEQTFIZIQF-ZCFIWIBFSA-N 0 0 163.224 1.499 10 0 ADAERN CCCNc1cc([C@@H]2CCOC2)[nH]n1 229666928 344610184 /nfs/dbraw/zinc/61/01/84/344610184.db2.gz IIOSCAYMWZHGBN-MRVPVSSYSA-N 0 0 195.266 1.736 10 0 ADAERN CC[C@H]1CCc2cc(NC)nnc21 229666247 344610185 /nfs/dbraw/zinc/61/01/85/344610185.db2.gz IIUGJHIESJWOQJ-ZETCQYMHSA-N 0 0 177.251 1.958 10 0 ADAERN CC(C)[C@@H](NN)[C@H]1CCCS1 229666866 344610187 /nfs/dbraw/zinc/61/01/87/344610187.db2.gz RMDZHYSBYYAKFS-HTQZYQBOSA-N 0 0 174.313 1.370 10 0 ADAERN C[C@@](N)([C@@H]1CCOC1)C(F)(F)F 229667363 344610189 /nfs/dbraw/zinc/61/01/89/344610189.db2.gz IQNNDMGELHGHIQ-PHDIDXHHSA-N 0 0 183.173 1.303 10 0 ADAERN CC(C)[C@H](NN)[C@H]1CCCS1 229666872 344610195 /nfs/dbraw/zinc/61/01/95/344610195.db2.gz RMDZHYSBYYAKFS-SFYZADRCSA-N 0 0 174.313 1.370 10 0 ADAERN NN[C@@H](C1CCC1)[C@H]1CCCS1 229671170 344610433 /nfs/dbraw/zinc/61/04/33/344610433.db2.gz UOEWQQOPFODQES-BDAKNGLRSA-N 0 0 186.324 1.514 10 0 ADAERN NN[C@H](C1CCC1)[C@@H]1CCCS1 229671162 344610478 /nfs/dbraw/zinc/61/04/78/344610478.db2.gz UOEWQQOPFODQES-DTWKUNHWSA-N 0 0 186.324 1.514 10 0 ADAERN NN[C@H](C1CCC1)[C@H]1CCCS1 229671176 344610545 /nfs/dbraw/zinc/61/05/45/344610545.db2.gz UOEWQQOPFODQES-RKDXNWHRSA-N 0 0 186.324 1.514 10 0 ADAERN C[C@]1([C@H]2CCOC2)CC(=O)CCO1 229668043 344610547 /nfs/dbraw/zinc/61/05/47/344610547.db2.gz OGFBSNKVWKBZRU-WCBMZHEXSA-N 0 0 184.235 1.161 10 0 ADAERN O=c1[nH]ccn1C1(C(F)(F)F)CC1 229669570 344610550 /nfs/dbraw/zinc/61/05/50/344610550.db2.gz YHXDCRCLJOLAAH-UHFFFAOYSA-N 0 0 192.140 1.228 10 0 ADAERN NN[C@@H](C1CCC1)[C@@H]1CCCS1 229671156 344610602 /nfs/dbraw/zinc/61/06/02/344610602.db2.gz UOEWQQOPFODQES-IUCAKERBSA-N 0 0 186.324 1.514 10 0 ADAERN C[C@@]1([C@@H]2CCOC2)CC(=O)CCO1 229668037 344610619 /nfs/dbraw/zinc/61/06/19/344610619.db2.gz OGFBSNKVWKBZRU-SCZZXKLOSA-N 0 0 184.235 1.161 10 0 ADAERN O=C1NCCN1C1(C(F)(F)F)CC1 229669559 344610636 /nfs/dbraw/zinc/61/06/36/344610636.db2.gz CMAVVQVCDQOGFJ-UHFFFAOYSA-N 0 0 194.156 1.107 10 0 ADAERN C[C@@]1([C@H]2CCOC2)CC(=O)CCO1 229668050 344610647 /nfs/dbraw/zinc/61/06/47/344610647.db2.gz OGFBSNKVWKBZRU-WPRPVWTQSA-N 0 0 184.235 1.161 10 0 ADAERN CC(C)C(=O)[C@@H](C)[C@@H]1CCOC1 229673820 344610862 /nfs/dbraw/zinc/61/08/62/344610862.db2.gz JOAUUTLFIMQHBE-DTWKUNHWSA-N 0 0 170.252 1.884 10 0 ADAERN CC[C@H]1CCC[C@@]12COC(=O)N2 229673247 344610865 /nfs/dbraw/zinc/61/08/65/344610865.db2.gz MOGSBVAKENFQEO-IONNQARKSA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@H]1CCC[C@@]12COC(N)=N2 229673218 344610868 /nfs/dbraw/zinc/61/08/68/344610868.db2.gz WOLDWWQWYBRYPE-IONNQARKSA-N 0 0 168.240 1.280 10 0 ADAERN CC[C@@H]1CCC[C@@]12COC(=O)N2 229673240 344610877 /nfs/dbraw/zinc/61/08/77/344610877.db2.gz MOGSBVAKENFQEO-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@@H]1CCC[C@]12COC(=O)N2 229673252 344610893 /nfs/dbraw/zinc/61/08/93/344610893.db2.gz MOGSBVAKENFQEO-APPZFPTMSA-N 0 0 169.224 1.675 10 0 ADAERN CC(C)C(=O)[C@H](C)[C@H]1CCOC1 229673841 344610913 /nfs/dbraw/zinc/61/09/13/344610913.db2.gz JOAUUTLFIMQHBE-BDAKNGLRSA-N 0 0 170.252 1.884 10 0 ADAERN CC1(C)NC(=O)C[C@]1(C)[C@@H]1CCOC1 229676621 344610916 /nfs/dbraw/zinc/61/09/16/344610916.db2.gz LEQDTKKQBUNECH-LDYMZIIASA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@@H]1CCC[C@@]12CNC(=O)O2 229673381 344610929 /nfs/dbraw/zinc/61/09/29/344610929.db2.gz NSMORFYAJUKQRU-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@@H]1CCC[C@]12CNC(=O)O2 229673396 344610932 /nfs/dbraw/zinc/61/09/32/344610932.db2.gz NSMORFYAJUKQRU-APPZFPTMSA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@@H]1CCC[C@]12CNC(=O)C2 229676466 344610943 /nfs/dbraw/zinc/61/09/43/344610943.db2.gz BFSBYIFWVLOAQW-SCZZXKLOSA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@H]1CCC[C@]12COC(=O)N2 229673258 344610947 /nfs/dbraw/zinc/61/09/47/344610947.db2.gz MOGSBVAKENFQEO-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN CC(C)C(=O)[C@H](C)[C@@H]1CCOC1 229673829 344610951 /nfs/dbraw/zinc/61/09/51/344610951.db2.gz JOAUUTLFIMQHBE-RKDXNWHRSA-N 0 0 170.252 1.884 10 0 ADAERN CC[C@H]1CCC[C@]12CNC(=O)C2 229676476 344610967 /nfs/dbraw/zinc/61/09/67/344610967.db2.gz BFSBYIFWVLOAQW-WPRPVWTQSA-N 0 0 167.252 1.703 10 0 ADAERN CC1(C)NC(=O)C[C@@]1(C)[C@@H]1CCOC1 229676613 344610979 /nfs/dbraw/zinc/61/09/79/344610979.db2.gz LEQDTKKQBUNECH-KCJUWKMLSA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@H]1CCC[C@]12CNC(=O)O2 229673398 344610996 /nfs/dbraw/zinc/61/09/96/344610996.db2.gz NSMORFYAJUKQRU-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@H]1CCC[C@@]12CNC(=O)O2 229673392 344611010 /nfs/dbraw/zinc/61/10/10/344611010.db2.gz NSMORFYAJUKQRU-IONNQARKSA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@@H]1CCC[C@]12COC(N)=N2 229673225 344611028 /nfs/dbraw/zinc/61/10/28/344611028.db2.gz WOLDWWQWYBRYPE-APPZFPTMSA-N 0 0 168.240 1.280 10 0 ADAERN CC[C@H]1CCC[C@]12COC(N)=N2 229673228 344611045 /nfs/dbraw/zinc/61/10/45/344611045.db2.gz WOLDWWQWYBRYPE-CBAPKCEASA-N 0 0 168.240 1.280 10 0 ADAERN CC[C@@H]1CCC[C@@]12CNC(=O)C2 229676451 344611054 /nfs/dbraw/zinc/61/10/54/344611054.db2.gz BFSBYIFWVLOAQW-PSASIEDQSA-N 0 0 167.252 1.703 10 0 ADAERN CC(C)C(=O)[C@@H](C)[C@H]1CCOC1 229673834 344611059 /nfs/dbraw/zinc/61/10/59/344611059.db2.gz JOAUUTLFIMQHBE-IUCAKERBSA-N 0 0 170.252 1.884 10 0 ADAERN CC[C@H]1CCC[C@@]12CNC(=O)C2 229676459 344611079 /nfs/dbraw/zinc/61/10/79/344611079.db2.gz BFSBYIFWVLOAQW-WCBMZHEXSA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@@H]1CCC[C@@]12COC(N)=N2 229673209 344611086 /nfs/dbraw/zinc/61/10/86/344611086.db2.gz WOLDWWQWYBRYPE-VXNVDRBHSA-N 0 0 168.240 1.280 10 0 ADAERN CC[C@H]1CCC[C@@]12NC(=O)N=C2N 229677781 344611196 /nfs/dbraw/zinc/61/11/96/344611196.db2.gz SCEXLNSNYAWDGP-IMTBSYHQSA-N 0 0 181.239 1.016 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]1(C)[C@@H]1CCOC1 229676682 344611200 /nfs/dbraw/zinc/61/12/00/344611200.db2.gz AYTRFCBIZOSOKU-WCABBAIRSA-N 0 0 197.278 1.328 10 0 ADAERN S=c1[nH]cc([C@@H]2CCOC2)[nH]1 229678336 344611202 /nfs/dbraw/zinc/61/12/02/344611202.db2.gz INBYPACMUJTSOV-RXMQYKEDSA-N 0 0 170.237 1.202 10 0 ADAERN CC1(C)NC(=O)C[C@@]1(C)[C@H]1CCOC1 229676624 344611222 /nfs/dbraw/zinc/61/12/22/344611222.db2.gz LEQDTKKQBUNECH-KWQFWETISA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@@H]1CCC[C@]12NC(=O)N=C2N 229677788 344611264 /nfs/dbraw/zinc/61/12/64/344611264.db2.gz SCEXLNSNYAWDGP-MUWHJKNJSA-N 0 0 181.239 1.016 10 0 ADAERN C[C@H](NN)[C@H]1CCCCS1 229679553 344611279 /nfs/dbraw/zinc/61/12/79/344611279.db2.gz GFOMDRXAFRJWSQ-NKWVEPMBSA-N 0 0 160.286 1.124 10 0 ADAERN CC[C@H]1CCC[C@]12NC(=O)N=C2N 229677796 344611300 /nfs/dbraw/zinc/61/13/00/344611300.db2.gz SCEXLNSNYAWDGP-RCOVLWMOSA-N 0 0 181.239 1.016 10 0 ADAERN C/C(=C/[C@H](C)O)[C@H]1CCOC1 229679955 344611310 /nfs/dbraw/zinc/61/13/10/344611310.db2.gz PSFGFJIOJDIYSD-SISDLMPYSA-N 0 0 156.225 1.350 10 0 ADAERN C[C@@H](NN)[C@H]1CCCCS1 229679544 344611311 /nfs/dbraw/zinc/61/13/11/344611311.db2.gz GFOMDRXAFRJWSQ-RNFRBKRXSA-N 0 0 160.286 1.124 10 0 ADAERN C[C@@H](NN)[C@@H]1CCCCS1 229679530 344611386 /nfs/dbraw/zinc/61/13/86/344611386.db2.gz GFOMDRXAFRJWSQ-RQJHMYQMSA-N 0 0 160.286 1.124 10 0 ADAERN C/C(=C/[C@H](C)O)[C@@H]1CCOC1 229679940 344611458 /nfs/dbraw/zinc/61/14/58/344611458.db2.gz PSFGFJIOJDIYSD-QRJDUPJOSA-N 0 0 156.225 1.350 10 0 ADAERN CC1(C)NC(=O)C[C@]1(C)[C@H]1CCOC1 229676632 344611464 /nfs/dbraw/zinc/61/14/64/344611464.db2.gz LEQDTKKQBUNECH-GZMMTYOYSA-N 0 0 197.278 1.328 10 0 ADAERN Cc1ccc(N)cc1N1CCC1=O 229683974 344611670 /nfs/dbraw/zinc/61/16/70/344611670.db2.gz WIPKOKQNUDKEHI-UHFFFAOYSA-N 0 0 176.219 1.314 10 0 ADAERN Nc1ccc(F)cc1N1CCC1=O 229684327 344611676 /nfs/dbraw/zinc/61/16/76/344611676.db2.gz VWTWHIQAKSMSBY-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN CC[C@H]1CCC[C@]1([NH2+]C)C(=O)[O-] 229691613 344611681 /nfs/dbraw/zinc/61/16/81/344611681.db2.gz CGJIMADXPQMBQU-IONNQARKSA-N 0 0 171.240 1.239 10 0 ADAERN CC[C@@H]1CCC[C@]1([NH2+]C)C(=O)[O-] 229691605 344611723 /nfs/dbraw/zinc/61/17/23/344611723.db2.gz CGJIMADXPQMBQU-VXNVDRBHSA-N 0 0 171.240 1.239 10 0 ADAERN Nc1ccc(F)c(N2CCC2=O)c1 229683916 344611725 /nfs/dbraw/zinc/61/17/25/344611725.db2.gz SBXHFHCGGOHNMU-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN Nc1cc(N2CCC2=O)ccc1Cl 229683879 344611728 /nfs/dbraw/zinc/61/17/28/344611728.db2.gz YEWANRHWPWUBKE-UHFFFAOYSA-N 0 0 196.637 1.659 10 0 ADAERN Nc1ccc(Cl)c(N2CCC2=O)c1 229684156 344611736 /nfs/dbraw/zinc/61/17/36/344611736.db2.gz VBTPHNUKSFOLQW-UHFFFAOYSA-N 0 0 196.637 1.659 10 0 ADAERN CC(C)=C[C@H](NN)[C@]1(C)CCCCO1 229689558 344611742 /nfs/dbraw/zinc/61/17/42/344611742.db2.gz NSYVSXJCTYMWRB-QWRGUYRKSA-N 0 0 198.310 1.744 10 0 ADAERN Nc1cc(F)cc(N2CCC2=O)c1 229684431 344611747 /nfs/dbraw/zinc/61/17/47/344611747.db2.gz NRCWMQOQEJBGHA-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN Cc1cc(N2CCC2=O)ccc1N 229684165 344611761 /nfs/dbraw/zinc/61/17/61/344611761.db2.gz UDIXIQFARQXEIC-UHFFFAOYSA-N 0 0 176.219 1.314 10 0 ADAERN Nc1cc(N2CCC2=O)c(F)cc1F 229684260 344611786 /nfs/dbraw/zinc/61/17/86/344611786.db2.gz AANLJACXZTYPBI-UHFFFAOYSA-N 0 0 198.172 1.284 10 0 ADAERN CC[C@H]1CCC[C@@]1(O)COC 229696402 344611795 /nfs/dbraw/zinc/61/17/95/344611795.db2.gz NZKXTILJKUQSPJ-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN Nc1cc(F)ccc1N1CCC1=O 229683939 344611832 /nfs/dbraw/zinc/61/18/32/344611832.db2.gz NZXYTZWEHCYMJA-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN Cc1cc(N)ccc1N1CCC1=O 229683846 344611836 /nfs/dbraw/zinc/61/18/36/344611836.db2.gz UCQAQRFZWRLUKH-UHFFFAOYSA-N 0 0 176.219 1.314 10 0 ADAERN COc1ccc(N)cc1N1CCC1=O 229683983 344611841 /nfs/dbraw/zinc/61/18/41/344611841.db2.gz CEKYJGMHGNPDPQ-UHFFFAOYSA-N 0 0 192.218 1.014 10 0 ADAERN Cc1cc(N2CCC2=O)c(C)cc1N 229684423 344611852 /nfs/dbraw/zinc/61/18/52/344611852.db2.gz VQYVZYADJHDYNF-UHFFFAOYSA-N 0 0 190.246 1.622 10 0 ADAERN Nc1ccc(N2CCC2=O)c(Cl)c1 229683869 344611866 /nfs/dbraw/zinc/61/18/66/344611866.db2.gz NVKIECXJRQCZGC-UHFFFAOYSA-N 0 0 196.637 1.659 10 0 ADAERN C[C@H](NN)c1cnc2ccsc2c1 229692210 344611870 /nfs/dbraw/zinc/61/18/70/344611870.db2.gz FTDKWFGWVQXYAD-LURJTMIESA-N 0 0 193.275 1.821 10 0 ADAERN Cc1ccc(N)c(N2CCC2=O)c1 229684372 344611877 /nfs/dbraw/zinc/61/18/77/344611877.db2.gz CZIPTZJHKYKSKH-UHFFFAOYSA-N 0 0 176.219 1.314 10 0 ADAERN Nc1ccc(N2CCC2=O)c(F)c1 229684149 344611882 /nfs/dbraw/zinc/61/18/82/344611882.db2.gz GCZMIUQCUFXVRG-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN CC(C)=C[C@@H](NN)[C@@]1(C)CCCCO1 229689542 344611885 /nfs/dbraw/zinc/61/18/85/344611885.db2.gz NSYVSXJCTYMWRB-GHMZBOCLSA-N 0 0 198.310 1.744 10 0 ADAERN CC(C)=C[C@H](NN)[C@@]1(C)CCCCO1 229689546 344611888 /nfs/dbraw/zinc/61/18/88/344611888.db2.gz NSYVSXJCTYMWRB-WDEREUQCSA-N 0 0 198.310 1.744 10 0 ADAERN CC[C@@H]1CCC[C@@]1(O)COC 229696395 344611894 /nfs/dbraw/zinc/61/18/94/344611894.db2.gz NZKXTILJKUQSPJ-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN Nc1cc(N2CCC2=O)ccc1F 229683947 344611900 /nfs/dbraw/zinc/61/19/00/344611900.db2.gz DYROEWPZWLCXKK-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN Nc1ccc(N2CCC2=O)cc1F 229684348 344611903 /nfs/dbraw/zinc/61/19/03/344611903.db2.gz NDRZEOHITBSSCW-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN COCn1ccc2ccc(CO)cc21 229686872 344611911 /nfs/dbraw/zinc/61/19/11/344611911.db2.gz MRUCLAWKTRZVKZ-UHFFFAOYSA-N 0 0 191.230 1.738 10 0 ADAERN Cc1ccc(N2CCC2=O)c(N)c1 229684011 344611913 /nfs/dbraw/zinc/61/19/13/344611913.db2.gz PSKJBMGAMGUKHA-UHFFFAOYSA-N 0 0 176.219 1.314 10 0 ADAERN Nc1cc(Cl)ccc1N1CCC1=O 229683903 344611916 /nfs/dbraw/zinc/61/19/16/344611916.db2.gz ZHJFUQAKFPKXHN-UHFFFAOYSA-N 0 0 196.637 1.659 10 0 ADAERN COc1ccc(N2CCC2=O)c(N)c1 229683930 344611924 /nfs/dbraw/zinc/61/19/24/344611924.db2.gz IAXGGSUCRXWCKI-UHFFFAOYSA-N 0 0 192.218 1.014 10 0 ADAERN Nc1ccc(Cl)cc1N1CCC1=O 229683956 344611935 /nfs/dbraw/zinc/61/19/35/344611935.db2.gz YUXJRSBABJPUSR-UHFFFAOYSA-N 0 0 196.637 1.659 10 0 ADAERN Nc1ccccc1CN1CCC1=O 229684175 344611939 /nfs/dbraw/zinc/61/19/39/344611939.db2.gz IDWDTZDKGJIQHY-UHFFFAOYSA-N 0 0 176.219 1.001 10 0 ADAERN Nc1cccc(F)c1N1CCC1=O 229684305 344611941 /nfs/dbraw/zinc/61/19/41/344611941.db2.gz JEFBDKWMXZFMSL-UHFFFAOYSA-N 0 0 180.182 1.145 10 0 ADAERN Cc1c(N)cccc1N1CCC1=O 229683965 344611947 /nfs/dbraw/zinc/61/19/47/344611947.db2.gz UAIMZCORJZAXBJ-UHFFFAOYSA-N 0 0 176.219 1.314 10 0 ADAERN Nc1ccc(N2CCC2=O)cc1Cl 229684363 344611951 /nfs/dbraw/zinc/61/19/51/344611951.db2.gz ULQXKBGWXYMLMR-UHFFFAOYSA-N 0 0 196.637 1.659 10 0 ADAERN C[C@@](O)(c1ccco1)[C@@H]1CCOC1 229701878 344612218 /nfs/dbraw/zinc/61/22/18/344612218.db2.gz QTDCMFQBQNLSDM-SCZZXKLOSA-N 0 0 182.219 1.524 10 0 ADAERN C[C@](O)(C1CCCC1)[C@H]1CCOC1 229701245 344612126 /nfs/dbraw/zinc/61/21/26/344612126.db2.gz OIDWWGKLEXUMKD-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)=C[C@H](NN)c1ncccc1F 229707617 344612137 /nfs/dbraw/zinc/61/21/37/344612137.db2.gz MNFZEPRAVXRKAD-VIFPVBQESA-N 0 0 195.241 1.691 10 0 ADAERN CC[C@H]1CCC[C@@]12CC(=O)N2 229706879 344612159 /nfs/dbraw/zinc/61/21/59/344612159.db2.gz PFOQFCVQMULTFM-IONNQARKSA-N 0 0 153.225 1.455 10 0 ADAERN O=C1CCC2(CCCC2)CN1 229699440 344612182 /nfs/dbraw/zinc/61/21/82/344612182.db2.gz BVNFVDXYUCOEKJ-UHFFFAOYSA-N 0 0 153.225 1.457 10 0 ADAERN CC(C)=C[C@@H](NN)c1ncccc1F 229707610 344612192 /nfs/dbraw/zinc/61/21/92/344612192.db2.gz MNFZEPRAVXRKAD-SECBINFHSA-N 0 0 195.241 1.691 10 0 ADAERN C[C@](O)(c1ccco1)[C@H]1CCOC1 229701884 344612242 /nfs/dbraw/zinc/61/22/42/344612242.db2.gz QTDCMFQBQNLSDM-WCBMZHEXSA-N 0 0 182.219 1.524 10 0 ADAERN CC[C@@H]1CCC[C@]12CC(=O)N2 229706884 344612301 /nfs/dbraw/zinc/61/23/01/344612301.db2.gz PFOQFCVQMULTFM-APPZFPTMSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@](O)(C1CCCC1)[C@@H]1CCOC1 229701231 344612306 /nfs/dbraw/zinc/61/23/06/344612306.db2.gz OIDWWGKLEXUMKD-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@@](O)(c1ccco1)[C@H]1CCOC1 229701890 344612325 /nfs/dbraw/zinc/61/23/25/344612325.db2.gz QTDCMFQBQNLSDM-WPRPVWTQSA-N 0 0 182.219 1.524 10 0 ADAERN CC[C@H]1CCC[C@@]12NC(=S)NC2=O 229710882 344612515 /nfs/dbraw/zinc/61/25/15/344612515.db2.gz NJZXFHQUKKHUAZ-IMTBSYHQSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@@H]1CCC[C@]12NC(=S)NC2=O 229710890 344612660 /nfs/dbraw/zinc/61/26/60/344612660.db2.gz NJZXFHQUKKHUAZ-MUWHJKNJSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@H]1CCC[C@]12NC(=S)NC2=O 229710897 344612713 /nfs/dbraw/zinc/61/27/13/344612713.db2.gz NJZXFHQUKKHUAZ-RCOVLWMOSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@@H]1CCC[C@@]12NC(=S)NC2=O 229710877 344612922 /nfs/dbraw/zinc/61/29/22/344612922.db2.gz NJZXFHQUKKHUAZ-HZGVNTEJSA-N 0 0 198.291 1.351 10 0 ADAERN C[C@H](Nc1ncns1)c1cn[nH]c1 229727563 344613015 /nfs/dbraw/zinc/61/30/15/344613015.db2.gz GKCNXOARZZRGKC-YFKPBYRVSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@]1(CC2CCC2)CC(=O)NC1=O 229733243 344613072 /nfs/dbraw/zinc/61/30/72/344613072.db2.gz NRLDHGFFRHQMAJ-JTQLQIEISA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@H](Nc1ncns1)c1cn[nH]c1 229727557 344613214 /nfs/dbraw/zinc/61/32/14/344613214.db2.gz GKCNXOARZZRGKC-RXMQYKEDSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@@H](Nc1nncs1)c1cn[nH]c1 229727616 344613168 /nfs/dbraw/zinc/61/31/68/344613168.db2.gz ZBIHTUVGSXABOD-RXMQYKEDSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@@]1(CC2CCC2)CC(=O)NC1=O 229733234 344613209 /nfs/dbraw/zinc/61/32/09/344613209.db2.gz NRLDHGFFRHQMAJ-SNVBAGLBSA-N 0 0 181.235 1.229 10 0 ADAERN Cc1noc(N[C@@H](C)c2cn[nH]c2)n1 229730002 344613217 /nfs/dbraw/zinc/61/32/17/344613217.db2.gz QWGIALMDCVINKA-YFKPBYRVSA-N 0 0 193.210 1.274 10 0 ADAERN Cc1noc(N[C@H](C)c2cn[nH]c2)n1 229730010 344613314 /nfs/dbraw/zinc/61/33/14/344613314.db2.gz QWGIALMDCVINKA-RXMQYKEDSA-N 0 0 193.210 1.274 10 0 ADAERN Cn1cc([C@@](C)(O)CC2CCC2)cn1 229737988 344613440 /nfs/dbraw/zinc/61/34/40/344613440.db2.gz ZTJDCVJTQQIPOV-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN C[C@H]1CSC(NC2CC2)=[NH+][C@@H]1C 229743903 344613461 /nfs/dbraw/zinc/61/34/61/344613461.db2.gz UNEBKKUCHFPCGY-NKWVEPMBSA-N 0 0 184.308 1.866 10 0 ADAERN CC[C@@H]1CN(C(=O)C2CC2)CCC1=O 229744918 344613471 /nfs/dbraw/zinc/61/34/71/344613471.db2.gz XTIYBPNHMWZAGY-MRVPVSSYSA-N 0 0 195.262 1.224 10 0 ADAERN CC(C)C[C@](C)(O)c1cnccn1 229742452 344613478 /nfs/dbraw/zinc/61/34/78/344613478.db2.gz XOYCIUBCNLLZFI-JTQLQIEISA-N 0 0 180.251 1.730 10 0 ADAERN C[C@@H]1CSC(NC2CC2)=[NH+][C@@H]1C 229743897 344613485 /nfs/dbraw/zinc/61/34/85/344613485.db2.gz UNEBKKUCHFPCGY-RNFRBKRXSA-N 0 0 184.308 1.866 10 0 ADAERN CC[C@H]1CN(C(=O)C2CC2)CCC1=O 229744927 344613505 /nfs/dbraw/zinc/61/35/05/344613505.db2.gz XTIYBPNHMWZAGY-QMMMGPOBSA-N 0 0 195.262 1.224 10 0 ADAERN C[C@H](NN)[C@H]1SCCS[C@@H]1C 229735265 344613535 /nfs/dbraw/zinc/61/35/35/344613535.db2.gz XDFZZEULYQGTEU-RRKCRQDMSA-N 0 0 192.353 1.075 10 0 ADAERN C[C@@H]1[NH+]=C(NC2CC2)SC[C@@H]1C 229743917 344613541 /nfs/dbraw/zinc/61/35/41/344613541.db2.gz UNEBKKUCHFPCGY-BQBZGAKWSA-N 0 0 184.308 1.866 10 0 ADAERN C[C@@](O)(CC1CC1)C1CCOCC1 229748138 344613562 /nfs/dbraw/zinc/61/35/62/344613562.db2.gz AUCQLQGTBGZQGJ-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@@H]1CSC(NC2CC2)=[NH+][C@H]1C 229743910 344613575 /nfs/dbraw/zinc/61/35/75/344613575.db2.gz UNEBKKUCHFPCGY-RQJHMYQMSA-N 0 0 184.308 1.866 10 0 ADAERN C[C@](O)(CC1CC1)C1CCOCC1 229748145 344613626 /nfs/dbraw/zinc/61/36/26/344613626.db2.gz AUCQLQGTBGZQGJ-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN CC(C)C[C@@](C)(O)c1cnccn1 229742446 344613630 /nfs/dbraw/zinc/61/36/30/344613630.db2.gz XOYCIUBCNLLZFI-SNVBAGLBSA-N 0 0 180.251 1.730 10 0 ADAERN CC(C)(O)CC1CCC1 229740288 344613634 /nfs/dbraw/zinc/61/36/34/344613634.db2.gz QCVNNZYWJLTOMO-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@](O)(CC1CC1)c1cnccn1 229747429 344613648 /nfs/dbraw/zinc/61/36/48/344613648.db2.gz QMJJTAYALLHLMX-JTQLQIEISA-N 0 0 178.235 1.484 10 0 ADAERN C[C@@](O)(CC1CC1)c1cnccn1 229747424 344613659 /nfs/dbraw/zinc/61/36/59/344613659.db2.gz QMJJTAYALLHLMX-SNVBAGLBSA-N 0 0 178.235 1.484 10 0 ADAERN Cn1cc([C@](C)(O)CC2CCC2)cn1 229737996 344613675 /nfs/dbraw/zinc/61/36/75/344613675.db2.gz ZTJDCVJTQQIPOV-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN Cc1nccc([C@H](NN)C2CCC2)n1 229751817 344614032 /nfs/dbraw/zinc/61/40/32/344614032.db2.gz MUWVNFPGZKQFHE-SNVBAGLBSA-N 0 0 192.266 1.090 10 0 ADAERN CC[N@H+](C)Cc1cccc(N)c1F 229753193 344614039 /nfs/dbraw/zinc/61/40/39/344614039.db2.gz BPZNUSULNTWMEY-UHFFFAOYSA-N 0 0 182.242 1.860 10 0 ADAERN CC1(CC2CCC2)CC(=O)NC(=O)C1 229755064 344614390 /nfs/dbraw/zinc/61/43/90/344614390.db2.gz RQJFMQBOCNULQC-UHFFFAOYSA-N 0 0 195.262 1.620 10 0 ADAERN C[C@]1(CC2CC2)CC(=O)CCO1 229755505 344614416 /nfs/dbraw/zinc/61/44/16/344614416.db2.gz TYNXAHFOBYDQJW-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN C[C@]1(CC2CC2)C[NH2+]C[C@@H]1C(=O)[O-] 229755392 344614418 /nfs/dbraw/zinc/61/44/18/344614418.db2.gz XTMKNMSZKAOWBZ-SCZZXKLOSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@]1(CC2CC2)CC(=O)CCO1 229755498 344614423 /nfs/dbraw/zinc/61/44/23/344614423.db2.gz TYNXAHFOBYDQJW-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@]1(CC2CC2)C[NH2+]C[C@@H]1C(=O)[O-] 229755386 344614490 /nfs/dbraw/zinc/61/44/90/344614490.db2.gz XTMKNMSZKAOWBZ-PSASIEDQSA-N 0 0 183.251 1.097 10 0 ADAERN CCNc1cc(Cl)nc2ncnn12 229754227 344614702 /nfs/dbraw/zinc/61/47/02/344614702.db2.gz PBOQPOUUKLKDBJ-UHFFFAOYSA-N 0 0 197.629 1.210 10 0 ADAERN CC(C)=C[C@@H](NN)c1ncc(C)cn1 229763518 344614974 /nfs/dbraw/zinc/61/49/74/344614974.db2.gz UJJHAVPQQQVQEY-SECBINFHSA-N 0 0 192.266 1.256 10 0 ADAERN C[C@]1(CC2CC2)COC(=O)N1 229762299 344615000 /nfs/dbraw/zinc/61/50/00/344615000.db2.gz DMOIXBGFFKFUGC-QMMMGPOBSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@@]1(CC2CC2)COC(=O)N1 229762292 344615003 /nfs/dbraw/zinc/61/50/03/344615003.db2.gz DMOIXBGFFKFUGC-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@]1(CC2CC2)CNC(=O)O1 229762393 344615009 /nfs/dbraw/zinc/61/50/09/344615009.db2.gz HAKCKZGIXZRVBU-QMMMGPOBSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@@]1(CC2CC2)CC(=O)N1 229757023 344615027 /nfs/dbraw/zinc/61/50/27/344615027.db2.gz HYKIXVMMTQLDGN-MRVPVSSYSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@@]1(CC2CCC2)CC(=O)N1 229757005 344615038 /nfs/dbraw/zinc/61/50/38/344615038.db2.gz LBXHKVMLDUXGNI-SECBINFHSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@]1(CC2CCC2)CNC(=O)C1 229765225 344615042 /nfs/dbraw/zinc/61/50/42/344615042.db2.gz FTQMSBBMKKSJED-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN CC(C)=C[C@H](NN)c1ncc(C)cn1 229763524 344615048 /nfs/dbraw/zinc/61/50/48/344615048.db2.gz UJJHAVPQQQVQEY-VIFPVBQESA-N 0 0 192.266 1.256 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]1(C)CC1CC1 229765240 344615075 /nfs/dbraw/zinc/61/50/75/344615075.db2.gz QJIGETYWUUUXBP-OIBJUYFYSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1NC(=O)C[C@]1(C)CC1CC1 229765260 344615085 /nfs/dbraw/zinc/61/50/85/344615085.db2.gz QJIGETYWUUUXBP-XCBNKYQSSA-N 0 0 167.252 1.701 10 0 ADAERN Nc1cccc(Cn2cccn2)c1F 229759600 344615097 /nfs/dbraw/zinc/61/50/97/344615097.db2.gz KFHSLBNBKZYKGV-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN C/C(CC1CC1)=C1\CC(=O)NC1=O 229756462 344615123 /nfs/dbraw/zinc/61/51/23/344615123.db2.gz XTWGNMDTTSNXMB-VURMDHGXSA-N 0 0 179.219 1.150 10 0 ADAERN C[C@@]1(CC2CC2)CNC(=O)C1 229765208 344615127 /nfs/dbraw/zinc/61/51/27/344615127.db2.gz CKGFPEVOLDWUAM-VIFPVBQESA-N 0 0 153.225 1.313 10 0 ADAERN C[C@@]1(CC2CCC2)CNC(=O)O1 229762367 344615144 /nfs/dbraw/zinc/61/51/44/344615144.db2.gz WDTCCZUTYCAOOJ-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@]1(CC2CC2)CC(=O)N1 229757028 344615151 /nfs/dbraw/zinc/61/51/51/344615151.db2.gz HYKIXVMMTQLDGN-QMMMGPOBSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@]1(CC2CCC2)COC(=O)N1 229762315 344615154 /nfs/dbraw/zinc/61/51/54/344615154.db2.gz ZAZCOPGHQGHSFR-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN C[C@]1(CC2CCC2)CC(=O)N1 229757011 344615211 /nfs/dbraw/zinc/61/52/11/344615211.db2.gz LBXHKVMLDUXGNI-VIFPVBQESA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@]1(CC2CCC2)COC(N)=N1 229762256 344615222 /nfs/dbraw/zinc/61/52/22/344615222.db2.gz HRLJAQYKZGHXEZ-SECBINFHSA-N 0 0 168.240 1.280 10 0 ADAERN CNC(=S)NC1(C(F)(F)F)CC1 229779112 344615560 /nfs/dbraw/zinc/61/55/60/344615560.db2.gz RHQQOAMJWCFWGJ-UHFFFAOYSA-N 0 0 198.213 1.175 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@]1(C)CC1CC1 229770003 344615465 /nfs/dbraw/zinc/61/54/65/344615465.db2.gz GEWAXZBNWDCTBB-HQJQHLMTSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@H]1C(=O)NC(=O)C[C@@]1(C)CC1CC1 229769995 344615469 /nfs/dbraw/zinc/61/54/69/344615469.db2.gz GEWAXZBNWDCTBB-WRWORJQWSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H](NN)c1coc2ccccc12 229771427 344615472 /nfs/dbraw/zinc/61/54/72/344615472.db2.gz GBDGXXOKLIFBJG-SSDOTTSWSA-N 0 0 176.219 1.957 10 0 ADAERN CC(C)=C[C@@H](NN)c1ccncc1C 229767262 344615477 /nfs/dbraw/zinc/61/54/77/344615477.db2.gz DIIXHOJXYCENJC-LLVKDONJSA-N 0 0 191.278 1.861 10 0 ADAERN Cc1cnccc1[C@@H](NN)C(C)(C)C 229766865 344615502 /nfs/dbraw/zinc/61/55/02/344615502.db2.gz IOQIQGYOOPTOHG-SNVBAGLBSA-N 0 0 193.294 1.941 10 0 ADAERN CC(C)=C[C@H](NN)c1ccncc1C 229767269 344615536 /nfs/dbraw/zinc/61/55/36/344615536.db2.gz DIIXHOJXYCENJC-NSHDSACASA-N 0 0 191.278 1.861 10 0 ADAERN C[C@H](NN)[C@@H]1COc2ccccc21 229774305 344615557 /nfs/dbraw/zinc/61/55/57/344615557.db2.gz ITZMLWDRFDAGLJ-CBAPKCEASA-N 0 0 178.235 1.014 10 0 ADAERN C[C@@]1(CC2CCC2)NC(=O)N=C1N 229772938 344615568 /nfs/dbraw/zinc/61/55/68/344615568.db2.gz SIJJZJCKSCNZAW-VIFPVBQESA-N 0 0 181.239 1.016 10 0 ADAERN CC[C@H](NN)c1ccncc1C 229765813 344615569 /nfs/dbraw/zinc/61/55/69/344615569.db2.gz MZCHUWFKYKHARF-VIFPVBQESA-N 0 0 165.240 1.304 10 0 ADAERN C[C@@H](NN)[C@H]1COc2ccccc21 229774310 344615574 /nfs/dbraw/zinc/61/55/74/344615574.db2.gz ITZMLWDRFDAGLJ-VXNVDRBHSA-N 0 0 178.235 1.014 10 0 ADAERN C[C@@]1(CC2CCC2)NC(=S)NC1=O 229773577 344615581 /nfs/dbraw/zinc/61/55/81/344615581.db2.gz BWSZDQJRGNSMNQ-VIFPVBQESA-N 0 0 198.291 1.351 10 0 ADAERN Cc1cnccc1[C@H](NN)C(C)(C)C 229766872 344615628 /nfs/dbraw/zinc/61/56/28/344615628.db2.gz IOQIQGYOOPTOHG-JTQLQIEISA-N 0 0 193.294 1.941 10 0 ADAERN C[C@H](NN)c1coc2ccccc12 229771432 344615644 /nfs/dbraw/zinc/61/56/44/344615644.db2.gz GBDGXXOKLIFBJG-ZETCQYMHSA-N 0 0 176.219 1.957 10 0 ADAERN Cc1cnccc1[C@@H](NN)C(C)C 229765334 344615681 /nfs/dbraw/zinc/61/56/81/344615681.db2.gz APBQBKPITUCUSA-JTQLQIEISA-N 0 0 179.267 1.550 10 0 ADAERN C[C@H](NN)[C@H]1COc2ccccc21 229774316 344615684 /nfs/dbraw/zinc/61/56/84/344615684.db2.gz ITZMLWDRFDAGLJ-IONNQARKSA-N 0 0 178.235 1.014 10 0 ADAERN Cc1cnccc1[C@H](NN)C(C)C 229765325 344615717 /nfs/dbraw/zinc/61/57/17/344615717.db2.gz APBQBKPITUCUSA-SNVBAGLBSA-N 0 0 179.267 1.550 10 0 ADAERN C[C@H]1C(=O)NC(=O)C[C@]1(C)CC1CC1 229770008 344615732 /nfs/dbraw/zinc/61/57/32/344615732.db2.gz GEWAXZBNWDCTBB-CPCISQLKSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@]1(CC2CCC2)NC(=S)NC1=O 229773586 344615735 /nfs/dbraw/zinc/61/57/35/344615735.db2.gz BWSZDQJRGNSMNQ-SECBINFHSA-N 0 0 198.291 1.351 10 0 ADAERN CC[C@@H](NN)c1ccncc1C 229765806 344615741 /nfs/dbraw/zinc/61/57/41/344615741.db2.gz MZCHUWFKYKHARF-SECBINFHSA-N 0 0 165.240 1.304 10 0 ADAERN NN[C@@H](c1cccs1)C(F)F 229800727 344615993 /nfs/dbraw/zinc/61/59/93/344615993.db2.gz NTZKRMGCKVWBPC-YFKPBYRVSA-N 0 0 178.207 1.518 10 0 ADAERN Cc1ccc([C@@H](NN)C(F)F)cc1 229799999 344615997 /nfs/dbraw/zinc/61/59/97/344615997.db2.gz JVXZYCBLGFKGGQ-MRVPVSSYSA-N 0 0 186.205 1.765 10 0 ADAERN NN[C@@H](C(F)F)C1CCCC1 229800047 344616019 /nfs/dbraw/zinc/61/60/19/344616019.db2.gz IYLSAZLQGHMYLT-ZCFIWIBFSA-N 0 0 164.199 1.274 10 0 ADAERN CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1O 229799887 344616021 /nfs/dbraw/zinc/61/60/21/344616021.db2.gz ZORHSPPIEMLBRM-PSASIEDQSA-N 0 0 197.278 1.016 10 0 ADAERN C[C@@H](Nc1nccnc1N)C1CCC1 229783345 344616035 /nfs/dbraw/zinc/61/60/35/344616035.db2.gz HHPJVHUIXZXEAG-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN NN[C@H](c1ccccc1F)C(F)F 229800749 344616051 /nfs/dbraw/zinc/61/60/51/344616051.db2.gz GVCIQLKWAJMQQV-SSDOTTSWSA-N 0 0 190.168 1.595 10 0 ADAERN C[S@@](=O)Cc1cccc(N)c1F 229799229 344616067 /nfs/dbraw/zinc/61/60/67/344616067.db2.gz JVRIYZAPEKCFCD-GFCCVEGCSA-N 0 0 187.239 1.286 10 0 ADAERN NN[C@@H](c1ccco1)C(F)F 229799505 344616123 /nfs/dbraw/zinc/61/61/23/344616123.db2.gz ZVGGUCWBJWUMBN-YFKPBYRVSA-N 0 0 162.139 1.049 10 0 ADAERN Cc1ccc([C@H](NN)C(F)F)cc1 229800001 344616074 /nfs/dbraw/zinc/61/60/74/344616074.db2.gz JVXZYCBLGFKGGQ-QMMMGPOBSA-N 0 0 186.205 1.765 10 0 ADAERN C[S@](=O)Cc1cccc(N)c1F 229799234 344616079 /nfs/dbraw/zinc/61/60/79/344616079.db2.gz JVRIYZAPEKCFCD-LBPRGKRZSA-N 0 0 187.239 1.286 10 0 ADAERN NN[C@H](c1cccs1)C(F)F 229800721 344616085 /nfs/dbraw/zinc/61/60/85/344616085.db2.gz NTZKRMGCKVWBPC-RXMQYKEDSA-N 0 0 178.207 1.518 10 0 ADAERN NN[C@H](c1ccsc1)C(F)F 229799798 344616089 /nfs/dbraw/zinc/61/60/89/344616089.db2.gz OTYPKFLLADHIKF-RXMQYKEDSA-N 0 0 178.207 1.518 10 0 ADAERN CC1=CCN(c2nccnc2N)CC1 229782646 344616095 /nfs/dbraw/zinc/61/60/95/344616095.db2.gz KOMNTFUPEWUSBG-UHFFFAOYSA-N 0 0 190.250 1.215 10 0 ADAERN Cn1cncc1[C@H](NN)C1CCCC1 229794620 344616119 /nfs/dbraw/zinc/61/61/19/344616119.db2.gz CLGPFBPYAZBDIT-SNVBAGLBSA-N 0 0 194.282 1.115 10 0 ADAERN CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1O 229799883 344616137 /nfs/dbraw/zinc/61/61/37/344616137.db2.gz ZORHSPPIEMLBRM-WPRPVWTQSA-N 0 0 197.278 1.016 10 0 ADAERN CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1O 229799895 344616140 /nfs/dbraw/zinc/61/61/40/344616140.db2.gz ZORHSPPIEMLBRM-WCBMZHEXSA-N 0 0 197.278 1.016 10 0 ADAERN Cn1cncc1[C@@H](NN)C1CCCC1 229794617 344616148 /nfs/dbraw/zinc/61/61/48/344616148.db2.gz CLGPFBPYAZBDIT-JTQLQIEISA-N 0 0 194.282 1.115 10 0 ADAERN CC1CCC([C@@H](NN)C(F)F)CC1 229802772 344616366 /nfs/dbraw/zinc/61/63/66/344616366.db2.gz SXAXKYAMNLPCLN-KAVNDROISA-N 0 0 192.253 1.910 10 0 ADAERN NN[C@H](c1ccco1)C(F)(F)Cl 229805434 344616375 /nfs/dbraw/zinc/61/63/75/344616375.db2.gz DFTZRYHMTPHHOF-RXMQYKEDSA-N 0 0 196.584 1.616 10 0 ADAERN NN[C@@H](c1ccc(F)cc1)C(F)F 229802430 344616378 /nfs/dbraw/zinc/61/63/78/344616378.db2.gz DYPHFTGEFINJOA-ZETCQYMHSA-N 0 0 190.168 1.595 10 0 ADAERN NN[C@H](c1ccoc1)C(F)F 229803992 344616379 /nfs/dbraw/zinc/61/63/79/344616379.db2.gz LFVZQAYLVSSPJV-RXMQYKEDSA-N 0 0 162.139 1.049 10 0 ADAERN CC(C)(C)[C@H](NN)C(F)(F)Cl 229809970 344616381 /nfs/dbraw/zinc/61/63/81/344616381.db2.gz QINXPQUGRVKXLN-BYPYZUCNSA-N 0 0 186.633 1.696 10 0 ADAERN CC(C)[C@@H](NN)C(F)(F)Cl 229807088 344616391 /nfs/dbraw/zinc/61/63/91/344616391.db2.gz OZBJXECXRCMJPN-SCSAIBSYSA-N 0 0 172.606 1.306 10 0 ADAERN NN[C@@H](c1ccoc1)C(F)F 229803998 344616444 /nfs/dbraw/zinc/61/64/44/344616444.db2.gz LFVZQAYLVSSPJV-YFKPBYRVSA-N 0 0 162.139 1.049 10 0 ADAERN CC[C@@H](NN)C(F)(F)Cl 229807840 344616477 /nfs/dbraw/zinc/61/64/77/344616477.db2.gz TYODTFAYILNOGR-GSVOUGTGSA-N 0 0 158.579 1.060 10 0 ADAERN NN[C@@H](C(F)F)C1CCCCC1 229801308 344616479 /nfs/dbraw/zinc/61/64/79/344616479.db2.gz MYXCTHBDNWSEHP-SSDOTTSWSA-N 0 0 178.226 1.664 10 0 ADAERN NN[C@@H](C1CCC1)C(F)(F)Cl 229810119 344616484 /nfs/dbraw/zinc/61/64/84/344616484.db2.gz HRSUPPSOJYLHPB-YFKPBYRVSA-N 0 0 184.617 1.450 10 0 ADAERN CC(C)=C[C@@H](NN)C(F)F 229804623 344616486 /nfs/dbraw/zinc/61/64/86/344616486.db2.gz FOQDBYVSQGYLRR-RXMQYKEDSA-N 0 0 150.172 1.050 10 0 ADAERN COC(C)(C)C(=O)N1CC=C(C)CC1 229817689 344616764 /nfs/dbraw/zinc/61/67/64/344616764.db2.gz BMOMRSLXNHFCRS-UHFFFAOYSA-N 0 0 197.278 1.590 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1cncnc1 229817318 344616860 /nfs/dbraw/zinc/61/68/60/344616860.db2.gz DLTIMNXECNQEKR-APPZFPTMSA-N 0 0 164.208 1.094 10 0 ADAERN Clc1nnc(-c2cncnc2)s1 229817468 344616880 /nfs/dbraw/zinc/61/68/80/344616880.db2.gz BLHJIGXYYMXWRT-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CCc1[nH]nc(N)c1C(C)C 229822009 344617112 /nfs/dbraw/zinc/61/71/12/344617112.db2.gz HBVDMHLVCKBNAH-UHFFFAOYSA-N 0 0 153.229 1.678 10 0 ADAERN Cc1cnc([C@@H](C)NN)c(C)c1 229825176 344617115 /nfs/dbraw/zinc/61/71/15/344617115.db2.gz TUXLJBAHEJNVEY-MRVPVSSYSA-N 0 0 165.240 1.223 10 0 ADAERN O[C@H]1CCCC[C@H]1Sc1ncc[nH]1 229822402 344617144 /nfs/dbraw/zinc/61/71/44/344617144.db2.gz PUTITCYLNUEMAO-JGVFFNPUSA-N 0 0 198.291 1.805 10 0 ADAERN O[C@H]1CCCC[C@@H]1Sc1ncc[nH]1 229822391 344617175 /nfs/dbraw/zinc/61/71/75/344617175.db2.gz PUTITCYLNUEMAO-YUMQZZPRSA-N 0 0 198.291 1.805 10 0 ADAERN Clc1nnc(-c2cncnc2)o1 229823230 344617181 /nfs/dbraw/zinc/61/71/81/344617181.db2.gz GRDSHJCDXLYHDC-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN O[C@@H]1CCCC[C@H]1Sc1ncc[nH]1 229822396 344617190 /nfs/dbraw/zinc/61/71/90/344617190.db2.gz PUTITCYLNUEMAO-HTQZYQBOSA-N 0 0 198.291 1.805 10 0 ADAERN O=C(Cc1ccco1)c1cncnc1 229824862 344617235 /nfs/dbraw/zinc/61/72/35/344617235.db2.gz ZTUPQLRTEXFCOJ-UHFFFAOYSA-N 0 0 188.186 1.495 10 0 ADAERN Cc1cnc([C@H](C)NN)c(C)c1 229825180 344617311 /nfs/dbraw/zinc/61/73/11/344617311.db2.gz TUXLJBAHEJNVEY-QMMMGPOBSA-N 0 0 165.240 1.223 10 0 ADAERN Cc1c(N)noc1-c1cncnc1 229822568 344617313 /nfs/dbraw/zinc/61/73/13/344617313.db2.gz ROLQQEIQLCXYHE-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Sc1ncc[nH]1 229822384 344617366 /nfs/dbraw/zinc/61/73/66/344617366.db2.gz PUTITCYLNUEMAO-SFYZADRCSA-N 0 0 198.291 1.805 10 0 ADAERN Nc1noc(-c2cncnc2)c1Cl 229822747 344617368 /nfs/dbraw/zinc/61/73/68/344617368.db2.gz RXAWLAVOSUYVDA-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN COc1cccnc1[C@H]1CCCC1=O 229829154 344617596 /nfs/dbraw/zinc/61/75/96/344617596.db2.gz GWWSGFVXPMMXMP-QMMMGPOBSA-N 0 0 191.230 1.927 10 0 ADAERN COc1cccnc1[C@@H]1CCCC1=O 229829147 344617880 /nfs/dbraw/zinc/61/78/80/344617880.db2.gz GWWSGFVXPMMXMP-MRVPVSSYSA-N 0 0 191.230 1.927 10 0 ADAERN CN[C@H](C1=CCCO1)c1cncnc1 229838425 344618053 /nfs/dbraw/zinc/61/80/53/344618053.db2.gz HTRWCDKNMWBCAZ-JTQLQIEISA-N 0 0 191.234 1.041 10 0 ADAERN FC(F)c1nnc(Cl)o1 229845689 344618069 /nfs/dbraw/zinc/61/80/69/344618069.db2.gz KDFWAQGWQZZSJD-UHFFFAOYSA-N 0 0 154.503 1.661 10 0 ADAERN CC(C)c1c(-c2cc[nH]n2)noc1N 229852546 344618153 /nfs/dbraw/zinc/61/81/53/344618153.db2.gz AHVPZIYGHWSRFP-UHFFFAOYSA-N 0 0 192.222 1.770 10 0 ADAERN CN[C@@H](C1=CCCO1)c1cncnc1 229838420 344618170 /nfs/dbraw/zinc/61/81/70/344618170.db2.gz HTRWCDKNMWBCAZ-SNVBAGLBSA-N 0 0 191.234 1.041 10 0 ADAERN CC(C)NC(=O)N[C@H](C)c1cn[nH]c1 229859349 344618277 /nfs/dbraw/zinc/61/82/77/344618277.db2.gz DKERSYDLOQASOT-SSDOTTSWSA-N 0 0 196.254 1.178 10 0 ADAERN CC(C)NC(=O)N[C@@H](C)c1cn[nH]c1 229859344 344618303 /nfs/dbraw/zinc/61/83/03/344618303.db2.gz DKERSYDLOQASOT-ZETCQYMHSA-N 0 0 196.254 1.178 10 0 ADAERN CC(C)c1c(-c2cn[nH]n2)noc1N 229849622 344618350 /nfs/dbraw/zinc/61/83/50/344618350.db2.gz WMNISSQABSXJLB-UHFFFAOYSA-N 0 0 193.210 1.165 10 0 ADAERN CC1(N2CN=NC2=S)CCOCC1 229909401 344620094 /nfs/dbraw/zinc/62/00/94/344620094.db2.gz HRMUFMXXOHROLT-UHFFFAOYSA-N 0 0 199.279 1.092 10 0 ADAERN CC1(n2cc[nH]c2=S)CCOCC1 229909301 344620177 /nfs/dbraw/zinc/62/01/77/344620177.db2.gz MULILAPSUCEKGE-UHFFFAOYSA-N 0 0 198.291 1.697 10 0 ADAERN C[C@](O)(C[NH3+])c1sccc1Cl 229925424 344620583 /nfs/dbraw/zinc/62/05/83/344620583.db2.gz GZRUDIIGINKOKS-ZETCQYMHSA-N 0 0 191.683 1.568 10 0 ADAERN OC1(c2sccc2Cl)C[NH2+]C1 229924319 344620620 /nfs/dbraw/zinc/62/06/20/344620620.db2.gz FFWVMUOMTQZBDP-UHFFFAOYSA-N 0 0 189.667 1.192 10 0 ADAERN C[C@@](O)(C[NH3+])c1sccc1Cl 229925419 344620671 /nfs/dbraw/zinc/62/06/71/344620671.db2.gz GZRUDIIGINKOKS-SSDOTTSWSA-N 0 0 191.683 1.568 10 0 ADAERN N[C@@H](Cc1ccccn1)C(F)F 229941021 344620721 /nfs/dbraw/zinc/62/07/21/344620721.db2.gz HZESHECHSHINQY-ZETCQYMHSA-N 0 0 172.178 1.217 10 0 ADAERN C[C@H](O)C(=O)c1sccc1Cl 229930068 344620736 /nfs/dbraw/zinc/62/07/36/344620736.db2.gz VTEGZUHHJRKIAO-BYPYZUCNSA-N 0 0 190.651 1.965 10 0 ADAERN C[C@@H](O)C(=O)c1sccc1Cl 229930061 344620773 /nfs/dbraw/zinc/62/07/73/344620773.db2.gz VTEGZUHHJRKIAO-SCSAIBSYSA-N 0 0 190.651 1.965 10 0 ADAERN N[C@H](Cc1ccccn1)C(F)F 229941025 344620799 /nfs/dbraw/zinc/62/07/99/344620799.db2.gz HZESHECHSHINQY-SSDOTTSWSA-N 0 0 172.178 1.217 10 0 ADAERN C[C@@H]1C/C(=C/C(=O)[O-])C[N@@H+]1C1CC1 229943406 344620985 /nfs/dbraw/zinc/62/09/85/344620985.db2.gz UNNXZQQTCAHJFT-BESBCXERSA-N 0 0 181.235 1.254 10 0 ADAERN C[C@@H]1C/C(=C(/F)C(=O)[O-])C[N@@H+]1C1CC1 229943431 344621010 /nfs/dbraw/zinc/62/10/10/344621010.db2.gz OEAOFVXCHSCEOB-JKUJOVPDSA-N 0 0 199.225 1.551 10 0 ADAERN CN[C@@H](c1ccoc1)C(F)F 229943496 344621058 /nfs/dbraw/zinc/62/10/58/344621058.db2.gz AXTWULRPQCQROE-LURJTMIESA-N 0 0 161.151 1.805 10 0 ADAERN C[C@H]1C/C(=C(/F)C(=O)[O-])C[N@@H+]1C1CC1 229943439 344621144 /nfs/dbraw/zinc/62/11/44/344621144.db2.gz OEAOFVXCHSCEOB-XFIBDXMASA-N 0 0 199.225 1.551 10 0 ADAERN N[C@@H](Cc1cccs1)C(F)F 229942822 344621218 /nfs/dbraw/zinc/62/12/18/344621218.db2.gz UWLYRAOVCBLYLB-LURJTMIESA-N 0 0 177.219 1.883 10 0 ADAERN CN[C@H](c1ccoc1)C(F)F 229943502 344621245 /nfs/dbraw/zinc/62/12/45/344621245.db2.gz AXTWULRPQCQROE-ZCFIWIBFSA-N 0 0 161.151 1.805 10 0 ADAERN C[C@H]1C/C(=C/C(=O)[O-])C[N@@H+]1C1CC1 229943413 344621247 /nfs/dbraw/zinc/62/12/47/344621247.db2.gz UNNXZQQTCAHJFT-BJMRUTCWSA-N 0 0 181.235 1.254 10 0 ADAERN CN[C@H](c1ccco1)C(F)F 229943051 344621272 /nfs/dbraw/zinc/62/12/72/344621272.db2.gz CQFDCBRSDIDFSU-ZCFIWIBFSA-N 0 0 161.151 1.805 10 0 ADAERN CC[C@@H](O)CNc1cc(C)ccc1N 229958738 344621592 /nfs/dbraw/zinc/62/15/92/344621592.db2.gz ULRATNUBHGEEAC-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)[C@H](O)CNc1ccc(N)cn1 229959446 344621596 /nfs/dbraw/zinc/62/15/96/344621596.db2.gz NWTFZABIJWDDDP-SECBINFHSA-N 0 0 195.266 1.093 10 0 ADAERN CC[C@H](O)CNc1cc(F)ccc1N 229959115 344621606 /nfs/dbraw/zinc/62/16/06/344621606.db2.gz SFCRSOZUWDIFNE-QMMMGPOBSA-N 0 0 198.241 1.591 10 0 ADAERN CC[C@@H](O)CNc1ccccc1N 229958619 344621620 /nfs/dbraw/zinc/62/16/20/344621620.db2.gz NDRBNNOQWDLKBI-MRVPVSSYSA-N 0 0 180.251 1.452 10 0 ADAERN NNc1sccc1Cl 229958920 344621634 /nfs/dbraw/zinc/62/16/34/344621634.db2.gz JTDLHORBNIIUIQ-UHFFFAOYSA-N 0 0 148.618 1.687 10 0 ADAERN CC(C)C(=O)N[C@@H](C)c1cn[nH]c1 229957700 344621709 /nfs/dbraw/zinc/62/17/09/344621709.db2.gz VGMXGTWMFGMUNW-ZETCQYMHSA-N 0 0 181.239 1.243 10 0 ADAERN CC(C)C(=O)N[C@H](C)c1cn[nH]c1 229957705 344621747 /nfs/dbraw/zinc/62/17/47/344621747.db2.gz VGMXGTWMFGMUNW-SSDOTTSWSA-N 0 0 181.239 1.243 10 0 ADAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cn[nH]c1 229952423 344621752 /nfs/dbraw/zinc/62/17/52/344621752.db2.gz CFHBSWQHDNKNCM-ACLDMZEESA-N 0 0 193.250 1.243 10 0 ADAERN CC(C)[C@@H](O)CNc1ccc(N)cn1 229959440 344621758 /nfs/dbraw/zinc/62/17/58/344621758.db2.gz NWTFZABIJWDDDP-VIFPVBQESA-N 0 0 195.266 1.093 10 0 ADAERN CC(C)[C@@H](O)CNc1ccc(N)nc1 229959428 344621776 /nfs/dbraw/zinc/62/17/76/344621776.db2.gz IBWIZCLTMSJYKE-VIFPVBQESA-N 0 0 195.266 1.093 10 0 ADAERN CC[C@H](O)CNc1cc(C)ccc1N 229958744 344621784 /nfs/dbraw/zinc/62/17/84/344621784.db2.gz ULRATNUBHGEEAC-VIFPVBQESA-N 0 0 194.278 1.760 10 0 ADAERN CC[C@H](O)CNc1cc(C)cc(N)c1 229958075 344621786 /nfs/dbraw/zinc/62/17/86/344621786.db2.gz HUILEQCOVHZDLW-NSHDSACASA-N 0 0 194.278 1.760 10 0 ADAERN CC(C)[C@H](O)CNc1ccc(N)nc1 229959434 344621791 /nfs/dbraw/zinc/62/17/91/344621791.db2.gz IBWIZCLTMSJYKE-SECBINFHSA-N 0 0 195.266 1.093 10 0 ADAERN CC[C@@H](O)CNc1cc(F)ccc1N 229959108 344621798 /nfs/dbraw/zinc/62/17/98/344621798.db2.gz SFCRSOZUWDIFNE-MRVPVSSYSA-N 0 0 198.241 1.591 10 0 ADAERN C[C@@H](NC(=O)C(C)(C)C)c1cn[nH]c1 229963602 344621915 /nfs/dbraw/zinc/62/19/15/344621915.db2.gz BVGJAXKAOROKBK-SSDOTTSWSA-N 0 0 195.266 1.633 10 0 ADAERN CCN(C)C(=O)N[C@@H](C)c1cn[nH]c1 229972014 344621948 /nfs/dbraw/zinc/62/19/48/344621948.db2.gz AOTBDGAUGKQCRU-ZETCQYMHSA-N 0 0 196.254 1.132 10 0 ADAERN C[C@H](NC(=O)C(C)(C)C)c1cn[nH]c1 229963606 344621994 /nfs/dbraw/zinc/62/19/94/344621994.db2.gz BVGJAXKAOROKBK-ZETCQYMHSA-N 0 0 195.266 1.633 10 0 ADAERN CC[C@H](O)CNc1ncccc1C 229994904 344622393 /nfs/dbraw/zinc/62/23/93/344622393.db2.gz BTSSXSXAVUUNTJ-VIFPVBQESA-N 0 0 180.251 1.573 10 0 ADAERN CC[C@@H](O)CNc1ncccc1C 229994896 344622465 /nfs/dbraw/zinc/62/24/65/344622465.db2.gz BTSSXSXAVUUNTJ-SECBINFHSA-N 0 0 180.251 1.573 10 0 ADAERN Cc1cccnc1NC[C@@H](O)C(C)C 229997134 344622482 /nfs/dbraw/zinc/62/24/82/344622482.db2.gz CBAKWLNYZCMUAY-SNVBAGLBSA-N 0 0 194.278 1.819 10 0 ADAERN CC(C)[C@@H](O)C[NH+]1CC2(CC2)C1 230027902 344624350 /nfs/dbraw/zinc/62/43/50/344624350.db2.gz GDHLJGVOKLEXHL-VIFPVBQESA-N 0 0 169.268 1.099 10 0 ADAERN CCCNC(=O)[C@H]1CCC[C@@H]1C 230042441 344624789 /nfs/dbraw/zinc/62/47/89/344624789.db2.gz NHSSRIRTYMOLBJ-IUCAKERBSA-N 0 0 169.268 1.949 10 0 ADAERN CCCNC(=O)[C@H]1CCC[C@H]1C 230042452 344624812 /nfs/dbraw/zinc/62/48/12/344624812.db2.gz NHSSRIRTYMOLBJ-BDAKNGLRSA-N 0 0 169.268 1.949 10 0 ADAERN CCCNC(=O)[C@@H]1CCC[C@@H]1C 230042436 344624841 /nfs/dbraw/zinc/62/48/41/344624841.db2.gz NHSSRIRTYMOLBJ-DTWKUNHWSA-N 0 0 169.268 1.949 10 0 ADAERN CCCNC(=O)[C@@H]1CCC[C@H]1C 230042446 344624845 /nfs/dbraw/zinc/62/48/45/344624845.db2.gz NHSSRIRTYMOLBJ-RKDXNWHRSA-N 0 0 169.268 1.949 10 0 ADAERN CC[C@@H](C)CSCCC(N)=O 230038533 344624966 /nfs/dbraw/zinc/62/49/66/344624966.db2.gz BUAHJHWWVXJWIJ-SSDOTTSWSA-N 0 0 175.297 1.641 10 0 ADAERN CC[C@H](C)CSCCC(N)=O 230038539 344624992 /nfs/dbraw/zinc/62/49/92/344624992.db2.gz BUAHJHWWVXJWIJ-ZETCQYMHSA-N 0 0 175.297 1.641 10 0 ADAERN O=c1[nH]cnc2cc(F)cc(Cl)c12 230065417 344625334 /nfs/dbraw/zinc/62/53/34/344625334.db2.gz GHEBKDYKAGFWCO-UHFFFAOYSA-N 0 0 198.584 1.716 10 0 ADAERN c1cnn([C@@H]2CCCOC2)c1 230076558 344625854 /nfs/dbraw/zinc/62/58/54/344625854.db2.gz RGHLDQYGDSMUSD-MRVPVSSYSA-N 0 0 152.197 1.235 10 0 ADAERN CC(C)(C)Nc1cnc(CO)cn1 230082927 344625922 /nfs/dbraw/zinc/62/59/22/344625922.db2.gz IUTJNVFDYUEAJV-UHFFFAOYSA-N 0 0 181.239 1.179 10 0 ADAERN CO[C@@H](C)c1nc(Cl)ns1 230113563 344626619 /nfs/dbraw/zinc/62/66/19/344626619.db2.gz DUAFGKUKMKDFKQ-VKHMYHEASA-N 0 0 178.644 1.899 10 0 ADAERN Clc1nsc([C@@H]2CCOC2)n1 230113474 344626745 /nfs/dbraw/zinc/62/67/45/344626745.db2.gz RRGAAZNLOUQHBF-SCSAIBSYSA-N 0 0 190.655 1.695 10 0 ADAERN CO[C@H](C)c1nc(Cl)ns1 230113566 344626589 /nfs/dbraw/zinc/62/65/89/344626589.db2.gz DUAFGKUKMKDFKQ-GSVOUGTGSA-N 0 0 178.644 1.899 10 0 ADAERN Clc1nsc(-c2cncnc2)n1 230114098 344626592 /nfs/dbraw/zinc/62/65/92/344626592.db2.gz QIQYYTWLERJCHA-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CCOCc1nc(Cl)ns1 230112762 344626599 /nfs/dbraw/zinc/62/65/99/344626599.db2.gz LIKKEUANNIWYKS-UHFFFAOYSA-N 0 0 178.644 1.728 10 0 ADAERN C/C=C/C(=O)N[C@@]1(C)CCO[C@@H]1C 230106468 344626611 /nfs/dbraw/zinc/62/66/11/344626611.db2.gz NMADWBFSHBQLJS-OBKXUREESA-N 0 0 183.251 1.246 10 0 ADAERN C/C=C/C(=O)N[C@@]1(C)CCO[C@H]1C 230106479 344626616 /nfs/dbraw/zinc/62/66/16/344626616.db2.gz NMADWBFSHBQLJS-AGCSXLRFSA-N 0 0 183.251 1.246 10 0 ADAERN Clc1nsc([C@H]2CCOC2)n1 230113476 344626628 /nfs/dbraw/zinc/62/66/28/344626628.db2.gz RRGAAZNLOUQHBF-BYPYZUCNSA-N 0 0 190.655 1.695 10 0 ADAERN Clc1nsc(-c2ccnnc2)n1 230114344 344626647 /nfs/dbraw/zinc/62/66/47/344626647.db2.gz YRPJDKSPTXQUJF-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN Clc1nsc(-c2cnccn2)n1 230113420 344626663 /nfs/dbraw/zinc/62/66/63/344626663.db2.gz JQCNUDSVBCXXQV-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ncc(C)cn1 230143747 344627000 /nfs/dbraw/zinc/62/70/00/344627000.db2.gz SFIHKNCOULVCDT-DTWKUNHWSA-N 0 0 177.251 1.995 10 0 ADAERN COCc1nc(Cl)ns1 230112534 344626690 /nfs/dbraw/zinc/62/66/90/344626690.db2.gz AGOIRHTVDGBCHN-UHFFFAOYSA-N 0 0 164.617 1.338 10 0 ADAERN CCc1nc(Cl)ns1 230112439 344626692 /nfs/dbraw/zinc/62/66/92/344626692.db2.gz WJEZKBJGRQNEKJ-UHFFFAOYSA-N 0 0 148.618 1.754 10 0 ADAERN COCCc1nc(Cl)ns1 230114215 344626725 /nfs/dbraw/zinc/62/67/25/344626725.db2.gz CDHRRZRIIWTKSR-UHFFFAOYSA-N 0 0 178.644 1.380 10 0 ADAERN CS[C@H](C)CC[NH2+]CCF 230122945 344626896 /nfs/dbraw/zinc/62/68/96/344626896.db2.gz LLDNSWUGTNESOE-SSDOTTSWSA-N 0 0 165.277 1.687 10 0 ADAERN COc1cc(C(=O)C(C)(C)C)ncn1 230145825 344626940 /nfs/dbraw/zinc/62/69/40/344626940.db2.gz PLMWFCIEVZUXOA-UHFFFAOYSA-N 0 0 194.234 1.714 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)NC1CC1 230147100 344626953 /nfs/dbraw/zinc/62/69/53/344626953.db2.gz YFDGBINHWISJTI-IONNQARKSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1ncc(C)cn1 230143740 344626994 /nfs/dbraw/zinc/62/69/94/344626994.db2.gz SFIHKNCOULVCDT-IUCAKERBSA-N 0 0 177.251 1.995 10 0 ADAERN COc1cc([C@H](O)C2CCC2)ncn1 230150326 344627002 /nfs/dbraw/zinc/62/70/02/344627002.db2.gz OAAWXIKNSWRZTJ-SNVBAGLBSA-N 0 0 194.234 1.319 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1ncc(C)cn1 230143735 344627059 /nfs/dbraw/zinc/62/70/59/344627059.db2.gz SFIHKNCOULVCDT-BDAKNGLRSA-N 0 0 177.251 1.995 10 0 ADAERN COc1cc([C@@H](O)C2CCC2)ncn1 230150319 344627101 /nfs/dbraw/zinc/62/71/01/344627101.db2.gz OAAWXIKNSWRZTJ-JTQLQIEISA-N 0 0 194.234 1.319 10 0 ADAERN Nc1nccnc1NC1CC=CC1 230151113 344627128 /nfs/dbraw/zinc/62/71/28/344627128.db2.gz QEWDDTKOZMCXHU-UHFFFAOYSA-N 0 0 176.223 1.189 10 0 ADAERN CS[C@@H](C)CC[NH2+]CCF 230122941 344627137 /nfs/dbraw/zinc/62/71/37/344627137.db2.gz LLDNSWUGTNESOE-ZETCQYMHSA-N 0 0 165.277 1.687 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N1CCOCC1 230146981 344627231 /nfs/dbraw/zinc/62/72/31/344627231.db2.gz VZOMIKFUAFRMHL-VHSXEESVSA-N 0 0 197.278 1.281 10 0 ADAERN CON(C)C(=O)[C@H]1CCC[C@@H]1C 230169307 344627552 /nfs/dbraw/zinc/62/75/52/344627552.db2.gz ZZVDLPOODKYJRE-YUMQZZPRSA-N 0 0 171.240 1.442 10 0 ADAERN NN[C@H]1CCC12CCCCC2 230159323 344627602 /nfs/dbraw/zinc/62/76/02/344627602.db2.gz OSVPYTUEAOLEBM-QMMMGPOBSA-N 0 0 154.257 1.563 10 0 ADAERN CON(C)C(=O)[C@@H]1CCC[C@@H]1C 230169304 344627650 /nfs/dbraw/zinc/62/76/50/344627650.db2.gz ZZVDLPOODKYJRE-JGVFFNPUSA-N 0 0 171.240 1.442 10 0 ADAERN NN[C@@H]1CCC12CCCCC2 230159319 344627825 /nfs/dbraw/zinc/62/78/25/344627825.db2.gz OSVPYTUEAOLEBM-MRVPVSSYSA-N 0 0 154.257 1.563 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH]n1 230170801 344628186 /nfs/dbraw/zinc/62/81/86/344628186.db2.gz KRVLPSDWBCKRPH-HTQZYQBOSA-N 0 0 193.250 1.784 10 0 ADAERN O[C@@H]1C=C(c2cnccn2)CCCC1 230171533 344628200 /nfs/dbraw/zinc/62/82/00/344628200.db2.gz UTECBODUMXHCKV-JTQLQIEISA-N 0 0 190.246 1.795 10 0 ADAERN Cn1nncc1C1=C[C@H](O)CCCC1 230173701 344628201 /nfs/dbraw/zinc/62/82/01/344628201.db2.gz NXNODOPOVYKIIG-SECBINFHSA-N 0 0 193.250 1.133 10 0 ADAERN CN1CCN(C)[C@@H](c2nccs2)C1 230189917 344628629 /nfs/dbraw/zinc/62/86/29/344628629.db2.gz GKWMUBLSNWJCPI-MRVPVSSYSA-N 0 0 197.307 1.061 10 0 ADAERN OCCO[C@H]1CNc2ccccc2C1 230218377 344628852 /nfs/dbraw/zinc/62/88/52/344628852.db2.gz VRQWYAFCJPFEMX-SNVBAGLBSA-N 0 0 193.246 1.032 10 0 ADAERN CCSc1ccc(N)c(N)c1 230203024 344628868 /nfs/dbraw/zinc/62/88/68/344628868.db2.gz OUOVTVVTHWERQZ-UHFFFAOYSA-N 0 0 168.265 1.963 10 0 ADAERN OCCO[C@@H]1CNc2ccccc2C1 230218373 344629125 /nfs/dbraw/zinc/62/91/25/344629125.db2.gz VRQWYAFCJPFEMX-JTQLQIEISA-N 0 0 193.246 1.032 10 0 ADAERN CC(C)Cc1nn2ccnc2s1 230289090 344630782 /nfs/dbraw/zinc/63/07/82/344630782.db2.gz GBTPTOXQFGBHCT-UHFFFAOYSA-N 0 0 181.264 1.989 10 0 ADAERN CC[N@H+](CC1CCC1)[C@H](C)C(=O)OC 230322433 344630956 /nfs/dbraw/zinc/63/09/56/344630956.db2.gz HLLGOQVPUOCFKN-SECBINFHSA-N 0 0 199.294 1.670 10 0 ADAERN Cc1cc(O)ccc1C(=O)NC1CC1 230321106 344630994 /nfs/dbraw/zinc/63/09/94/344630994.db2.gz KHKKVWBCYHQKDC-UHFFFAOYSA-N 0 0 191.230 1.593 10 0 ADAERN CCNC(=O)c1ccc(O)cc1C 230304252 344631036 /nfs/dbraw/zinc/63/10/36/344631036.db2.gz DSXXEVNFZQJCED-UHFFFAOYSA-N 0 0 179.219 1.450 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1ncns1 230344263 344631275 /nfs/dbraw/zinc/63/12/75/344631275.db2.gz XNKCUPWWYBIGPY-PHDIDXHHSA-N 0 0 169.253 1.749 10 0 ADAERN c1nsc(N[C@@H]2CCSC2)n1 230344579 344631381 /nfs/dbraw/zinc/63/13/81/344631381.db2.gz YXRKOQNVOAKNCM-RXMQYKEDSA-N 0 0 187.293 1.456 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1ncns1 230344256 344631452 /nfs/dbraw/zinc/63/14/52/344631452.db2.gz XNKCUPWWYBIGPY-RITPCOANSA-N 0 0 169.253 1.749 10 0 ADAERN c1nsc(N[C@H]2CCSC2)n1 230344582 344631460 /nfs/dbraw/zinc/63/14/60/344631460.db2.gz YXRKOQNVOAKNCM-YFKPBYRVSA-N 0 0 187.293 1.456 10 0 ADAERN CCNc1ncnc(CC)c1F 230354828 344631462 /nfs/dbraw/zinc/63/14/62/344631462.db2.gz HHDUIIAFDYVEML-UHFFFAOYSA-N 0 0 169.203 1.610 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1ncns1 230344259 344631469 /nfs/dbraw/zinc/63/14/69/344631469.db2.gz XNKCUPWWYBIGPY-WDSKDSINSA-N 0 0 169.253 1.749 10 0 ADAERN OC[C@H]1CCC[C@H]1Nc1ncns1 230344492 344631480 /nfs/dbraw/zinc/63/14/80/344631480.db2.gz RHCBNVQHZOBTOY-RNFRBKRXSA-N 0 0 199.279 1.111 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ncns1 230344264 344631493 /nfs/dbraw/zinc/63/14/93/344631493.db2.gz XNKCUPWWYBIGPY-NTSWFWBYSA-N 0 0 169.253 1.749 10 0 ADAERN CC1(C)C[C@@H]1CNc1ncns1 230344222 344631510 /nfs/dbraw/zinc/63/15/10/344631510.db2.gz OYRLYVHHEJTSFV-ZCFIWIBFSA-N 0 0 183.280 1.996 10 0 ADAERN CC1(C)C[C@H]1CNc1ncns1 230344226 344631582 /nfs/dbraw/zinc/63/15/82/344631582.db2.gz OYRLYVHHEJTSFV-LURJTMIESA-N 0 0 183.280 1.996 10 0 ADAERN CC1(CNc2ncns2)CC1 230344649 344631585 /nfs/dbraw/zinc/63/15/85/344631585.db2.gz GMVDWKQIVOEYMA-UHFFFAOYSA-N 0 0 169.253 1.750 10 0 ADAERN OC[C@H]1CCC[C@@H]1Nc1ncns1 230344488 344631607 /nfs/dbraw/zinc/63/16/07/344631607.db2.gz RHCBNVQHZOBTOY-RQJHMYQMSA-N 0 0 199.279 1.111 10 0 ADAERN Cc1nc(-c2cccnc2N)[nH]c1C 230369597 344632423 /nfs/dbraw/zinc/63/24/23/344632423.db2.gz OZSZLEZNPLUHBI-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN Cc1c[nH]c(-c2cccnc2N)n1 230370667 344632587 /nfs/dbraw/zinc/63/25/87/344632587.db2.gz NGYKIWVBURIJTG-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1c[nH]c(-c2ccnc(N)c2)n1 230370574 344632921 /nfs/dbraw/zinc/63/29/21/344632921.db2.gz VAKHSEFOIJMLQI-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1c[nH]c(-c2ccc(N)nc2)n1 230370602 344633106 /nfs/dbraw/zinc/63/31/06/344633106.db2.gz QUBVAPXLRLGHRL-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN O=C1Sc2cc(F)ccc2C1=O 230385297 344633231 /nfs/dbraw/zinc/63/32/31/344633231.db2.gz TWLVZKYHFBFEEJ-UHFFFAOYSA-N 0 0 182.175 1.641 10 0 ADAERN COc1ccc2c(c1)C(=O)C(=O)S2 230384561 344633320 /nfs/dbraw/zinc/63/33/20/344633320.db2.gz ZOMXQQZOGPEASC-UHFFFAOYSA-N 0 0 194.211 1.510 10 0 ADAERN O=C1Sc2ccc(F)cc2C1=O 230384565 344633327 /nfs/dbraw/zinc/63/33/27/344633327.db2.gz DCJBIZIQZQJTAW-UHFFFAOYSA-N 0 0 182.175 1.641 10 0 ADAERN O=C1CC[S@@](=O)c2cc(F)ccc21 230386063 344633360 /nfs/dbraw/zinc/63/33/60/344633360.db2.gz IGRWNMRXHSGNKV-CYBMUJFWSA-N 0 0 198.218 1.520 10 0 ADAERN O=C1CC[S@](=O)c2cc(F)ccc21 230386066 344633528 /nfs/dbraw/zinc/63/35/28/344633528.db2.gz IGRWNMRXHSGNKV-ZDUSSCGKSA-N 0 0 198.218 1.520 10 0 ADAERN O=C1Sc2c(F)cccc2C1=O 230384568 344633535 /nfs/dbraw/zinc/63/35/35/344633535.db2.gz KMIYASBFHPNFPY-UHFFFAOYSA-N 0 0 182.175 1.641 10 0 ADAERN O=C(CC1CCC1)N1CCCO1 230395258 344634709 /nfs/dbraw/zinc/63/47/09/344634709.db2.gz YJBHAHIFSIWHFA-UHFFFAOYSA-N 0 0 169.224 1.341 10 0 ADAERN COC(C)(C)CCSCCO 230401362 344634890 /nfs/dbraw/zinc/63/48/90/344634890.db2.gz GMIHRHQKSXQGMU-UHFFFAOYSA-N 0 0 178.297 1.527 10 0 ADAERN CCOC(=O)c1ccc(=S)[nH]c1N 230400382 344635104 /nfs/dbraw/zinc/63/51/04/344635104.db2.gz UGVPWRBPASUELP-UHFFFAOYSA-N 0 0 198.247 1.129 10 0 ADAERN O=C1CCCc2[nH]c(=S)ccc21 230400358 344635176 /nfs/dbraw/zinc/63/51/76/344635176.db2.gz VKMVDDDPARHKMZ-UHFFFAOYSA-N 0 0 179.244 1.889 10 0 ADAERN Cc1ccc(C)n1CC(C)(C)C(N)=O 230398515 344635245 /nfs/dbraw/zinc/63/52/45/344635245.db2.gz HNPGPHYFHXLSRK-UHFFFAOYSA-N 0 0 194.278 1.616 10 0 ADAERN C[C@H]1CC[C@H](CNC(N)=S)C1 230414590 344635520 /nfs/dbraw/zinc/63/55/20/344635520.db2.gz JTMVLKDCTKDLRR-BQBZGAKWSA-N 0 0 172.297 1.256 10 0 ADAERN C[C@@H]1CC[C@@H](CNC#N)C1 230420053 344635571 /nfs/dbraw/zinc/63/55/71/344635571.db2.gz RBHNDGHRSIDIQP-HTQZYQBOSA-N 0 0 138.214 1.493 10 0 ADAERN C[C@@H](c1nc[nH]n1)n1cccc1 230419387 344635606 /nfs/dbraw/zinc/63/56/06/344635606.db2.gz PIJZKMSZYMTNBV-ZETCQYMHSA-N 0 0 162.196 1.216 10 0 ADAERN C[C@H]1CC[C@H](CNC#N)C1 230420060 344635661 /nfs/dbraw/zinc/63/56/61/344635661.db2.gz RBHNDGHRSIDIQP-YUMQZZPRSA-N 0 0 138.214 1.493 10 0 ADAERN COC(=O)c1nnc([C@@H]2CC2(C)C)o1 230413467 344635680 /nfs/dbraw/zinc/63/56/80/344635680.db2.gz KTIRPCCMAQYKSV-YFKPBYRVSA-N 0 0 196.206 1.370 10 0 ADAERN C[C@H]1CC[C@@H](CNC#N)C1 230420056 344635714 /nfs/dbraw/zinc/63/57/14/344635714.db2.gz RBHNDGHRSIDIQP-JGVFFNPUSA-N 0 0 138.214 1.493 10 0 ADAERN COC(=O)c1nnc([C@H]2CC2(C)C)o1 230413470 344635733 /nfs/dbraw/zinc/63/57/33/344635733.db2.gz KTIRPCCMAQYKSV-RXMQYKEDSA-N 0 0 196.206 1.370 10 0 ADAERN C[C@@H]1CC[C@H](CNC#N)C1 230420058 344635745 /nfs/dbraw/zinc/63/57/45/344635745.db2.gz RBHNDGHRSIDIQP-SFYZADRCSA-N 0 0 138.214 1.493 10 0 ADAERN C[C@@H]1CC[C@@H](CNC(N)=S)C1 230414585 344635750 /nfs/dbraw/zinc/63/57/50/344635750.db2.gz JTMVLKDCTKDLRR-RNFRBKRXSA-N 0 0 172.297 1.256 10 0 ADAERN C[C@H]1CC[C@H](CN2CCC(=O)C2)C1 230427207 344636126 /nfs/dbraw/zinc/63/61/26/344636126.db2.gz RDVUXNXCSCKKED-UWVGGRQHSA-N 0 0 181.279 1.697 10 0 ADAERN C[C@@H]1CC[C@@H](CN2CCC(=O)C2)C1 230427199 344636208 /nfs/dbraw/zinc/63/62/08/344636208.db2.gz RDVUXNXCSCKKED-NXEZZACHSA-N 0 0 181.279 1.697 10 0 ADAERN C[C@@H]1CC[C@H](CN2CCC(=O)C2)C1 230427204 344636216 /nfs/dbraw/zinc/63/62/16/344636216.db2.gz RDVUXNXCSCKKED-ZJUUUORDSA-N 0 0 181.279 1.697 10 0 ADAERN CCN1Cc2cc(N)cc(C)c2C1=O 230453306 344636657 /nfs/dbraw/zinc/63/66/57/344636657.db2.gz VQBPNQVACIKPSJ-UHFFFAOYSA-N 0 0 190.246 1.553 10 0 ADAERN CC(=O)Nc1c[nH]nc1Cl 230452517 344636663 /nfs/dbraw/zinc/63/66/63/344636663.db2.gz FDDYONREPPJKPZ-UHFFFAOYSA-N 0 0 159.576 1.022 10 0 ADAERN C[C@H]1CC[C@H](CNC=O)C1 230570818 344637629 /nfs/dbraw/zinc/63/76/29/344637629.db2.gz AAXXFNGLPXUTDO-YUMQZZPRSA-N 0 0 141.214 1.169 10 0 ADAERN CC(C)Cc1ncnc(N)c1Cl 230492674 344637002 /nfs/dbraw/zinc/63/70/02/344637002.db2.gz NBNRWYRGZPKMDE-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN CCc1ccc(O)c(C(C)=O)n1 230520161 344637064 /nfs/dbraw/zinc/63/70/64/344637064.db2.gz VQJWQZNZKZRYGP-UHFFFAOYSA-N 0 0 165.192 1.552 10 0 ADAERN C[C@@H]1CC[C@@H](CNC=O)C1 230570726 344637680 /nfs/dbraw/zinc/63/76/80/344637680.db2.gz AAXXFNGLPXUTDO-HTQZYQBOSA-N 0 0 141.214 1.169 10 0 ADAERN Cc1nc(C2CCC(=O)CC2)no1 230502939 344637075 /nfs/dbraw/zinc/63/70/75/344637075.db2.gz YMIZCXQYLCAOGB-UHFFFAOYSA-N 0 0 180.207 1.605 10 0 ADAERN Cc1c(F)cncc1C=O 230538345 344637140 /nfs/dbraw/zinc/63/71/40/344637140.db2.gz LJYABKXPYGVDAH-UHFFFAOYSA-N 0 0 139.129 1.342 10 0 ADAERN O=c1ccnc2c(Cl)cccn12 230536527 344637180 /nfs/dbraw/zinc/63/71/80/344637180.db2.gz OUKLJVNKIIWBEJ-UHFFFAOYSA-N 0 0 180.594 1.348 10 0 in-vitro ADAERN O=C1c2ccccc2-c2cncn21 230524363 344637218 /nfs/dbraw/zinc/63/72/18/344637218.db2.gz CZHKGPFVEHIFDF-UHFFFAOYSA-N 0 0 170.171 1.552 10 0 ADAERN CCSc1cccnn1 230608564 344637413 /nfs/dbraw/zinc/63/74/13/344637413.db2.gz YPSXDUSRWFBHMR-UHFFFAOYSA-N 0 0 140.211 1.589 10 0 ADAERN COC1CC(Nc2cc(C)ccn2)C1 230599279 344637416 /nfs/dbraw/zinc/63/74/16/344637416.db2.gz QLTDQSFQFMFWKX-UHFFFAOYSA-N 0 0 192.262 1.979 10 0 ADAERN COC1CC(Nc2cccnn2)C1 230593195 344637433 /nfs/dbraw/zinc/63/74/33/344637433.db2.gz ZWNPFLDEIRUIMV-UHFFFAOYSA-N 0 0 179.223 1.066 10 0 ADAERN C[C@@H]1CC[C@H](CNC=O)C1 230570787 344637453 /nfs/dbraw/zinc/63/74/53/344637453.db2.gz AAXXFNGLPXUTDO-SFYZADRCSA-N 0 0 141.214 1.169 10 0 ADAERN C[C@H]1CC[C@H](CN2CCNC2=O)C1 230621497 344637457 /nfs/dbraw/zinc/63/74/57/344637457.db2.gz IYZHFQWSHIDUIV-IUCAKERBSA-N 0 0 182.267 1.448 10 0 ADAERN C[C@H]1CC[C@H](Cn2cc[nH]c2=O)C1 230621433 344637475 /nfs/dbraw/zinc/63/74/75/344637475.db2.gz LVWAZELDVMQJRO-IUCAKERBSA-N 0 0 180.251 1.613 10 0 ADAERN COC1CC(Nc2ncccn2)C1 230592035 344637481 /nfs/dbraw/zinc/63/74/81/344637481.db2.gz RJXAJPIAPUVSRA-UHFFFAOYSA-N 0 0 179.223 1.066 10 0 ADAERN C[Si](C)(C)NC(=O)c1cccnc1 230613149 344637483 /nfs/dbraw/zinc/63/74/83/344637483.db2.gz VQRBOHGTTOAYTJ-UHFFFAOYSA-N 0 0 194.310 1.646 10 0 ADAERN C[C@@H]1CC[C@H](CN2CCNC2=O)C1 230621492 344637488 /nfs/dbraw/zinc/63/74/88/344637488.db2.gz IYZHFQWSHIDUIV-BDAKNGLRSA-N 0 0 182.267 1.448 10 0 ADAERN COC1CC(Nc2ncns2)C1 230598248 344637525 /nfs/dbraw/zinc/63/75/25/344637525.db2.gz WLNVGCFBLGUSOX-UHFFFAOYSA-N 0 0 185.252 1.127 10 0 ADAERN C[C@H]1CC[C@@H](CNC=O)C1 230570759 344637551 /nfs/dbraw/zinc/63/75/51/344637551.db2.gz AAXXFNGLPXUTDO-JGVFFNPUSA-N 0 0 141.214 1.169 10 0 ADAERN COC1CC(Nc2nnc(C)s2)C1 230593437 344637555 /nfs/dbraw/zinc/63/75/55/344637555.db2.gz ZVNCUQKJLFILQM-UHFFFAOYSA-N 0 0 199.279 1.436 10 0 ADAERN CCc1nc(C)cc(N2CCCC2)n1 230598771 344637581 /nfs/dbraw/zinc/63/75/81/344637581.db2.gz GUSOVWRYHJADMZ-UHFFFAOYSA-N 0 0 191.278 1.948 10 0 ADAERN COC1CC(Nc2cnccn2)C1 230600105 344637596 /nfs/dbraw/zinc/63/75/96/344637596.db2.gz UFIDVDOHAIZYJF-UHFFFAOYSA-N 0 0 179.223 1.066 10 0 ADAERN C[C@H]1CC[C@@H](Cn2cc[nH]c2=O)C1 230621417 344637627 /nfs/dbraw/zinc/63/76/27/344637627.db2.gz LVWAZELDVMQJRO-DTWKUNHWSA-N 0 0 180.251 1.613 10 0 ADAERN COC1CC(Nc2ncccc2F)C1 230601205 344637637 /nfs/dbraw/zinc/63/76/37/344637637.db2.gz GALBVEQPWHAYIE-UHFFFAOYSA-N 0 0 196.225 1.810 10 0 ADAERN C[C@@H]1CC[C@@H](Cn2cc[nH]c2=O)C1 230621409 344637642 /nfs/dbraw/zinc/63/76/42/344637642.db2.gz LVWAZELDVMQJRO-RKDXNWHRSA-N 0 0 180.251 1.613 10 0 ADAERN C[C@H]1CC[C@@H](CN2CCNC2=O)C1 230621482 344637644 /nfs/dbraw/zinc/63/76/44/344637644.db2.gz IYZHFQWSHIDUIV-DTWKUNHWSA-N 0 0 182.267 1.448 10 0 ADAERN COC1CC(Nc2ccccn2)C1 230601430 344637646 /nfs/dbraw/zinc/63/76/46/344637646.db2.gz VNHSGNNQJKWNFB-UHFFFAOYSA-N 0 0 178.235 1.671 10 0 ADAERN C[C@@H]1CC[C@H](Cn2cc[nH]c2=O)C1 230621425 344637650 /nfs/dbraw/zinc/63/76/50/344637650.db2.gz LVWAZELDVMQJRO-BDAKNGLRSA-N 0 0 180.251 1.613 10 0 ADAERN C[C@@H]1CC[C@@H](CN2CCNC2=O)C1 230621474 344637652 /nfs/dbraw/zinc/63/76/52/344637652.db2.gz IYZHFQWSHIDUIV-RKDXNWHRSA-N 0 0 182.267 1.448 10 0 ADAERN COC1CC(Nc2nc(C)ns2)C1 230600285 344637668 /nfs/dbraw/zinc/63/76/68/344637668.db2.gz CTGZIGWXZQCTLJ-UHFFFAOYSA-N 0 0 199.279 1.436 10 0 ADAERN CC1(Nc2nccnc2N)CCCC1 230622449 344637674 /nfs/dbraw/zinc/63/76/74/344637674.db2.gz ZHVUMBQALMLINA-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN Nc1nccnc1NCC(F)(F)F 230614114 344637677 /nfs/dbraw/zinc/63/76/77/344637677.db2.gz AQNVDAWVKUJIIF-UHFFFAOYSA-N 0 0 192.144 1.033 10 0 ADAERN COC1CC(NC(=O)c2ccco2)C1 230629110 344637926 /nfs/dbraw/zinc/63/79/26/344637926.db2.gz ZQHRKUDWXBOAAQ-UHFFFAOYSA-N 0 0 195.218 1.187 10 0 ADAERN CC(C)(C)Nc1nccnc1N 230641634 344637946 /nfs/dbraw/zinc/63/79/46/344637946.db2.gz ZVZYVMMLVNJWJE-UHFFFAOYSA-N 0 0 166.228 1.269 10 0 ADAERN C[C@@H]1CC[C@H](CNc2nnc(N)o2)C1 230631958 344638006 /nfs/dbraw/zinc/63/80/06/344638006.db2.gz BFUKYAZWBKIVMG-RQJHMYQMSA-N 0 0 196.254 1.500 10 0 ADAERN COCc1csc(=S)[nH]1 230632266 344638042 /nfs/dbraw/zinc/63/80/42/344638042.db2.gz AJGKABLJOLZLSD-UHFFFAOYSA-N 0 0 161.251 1.578 10 0 ADAERN C[C@H]1CC[C@@H](CNc2nnc(N)o2)C1 230631951 344638092 /nfs/dbraw/zinc/63/80/92/344638092.db2.gz BFUKYAZWBKIVMG-NKWVEPMBSA-N 0 0 196.254 1.500 10 0 ADAERN C[C@H]1CC[C@H](CNc2nnc(N)o2)C1 230631965 344638126 /nfs/dbraw/zinc/63/81/26/344638126.db2.gz BFUKYAZWBKIVMG-BQBZGAKWSA-N 0 0 196.254 1.500 10 0 ADAERN C[C@@H]1CC[C@@H](CNc2nnc(N)o2)C1 230631944 344638157 /nfs/dbraw/zinc/63/81/57/344638157.db2.gz BFUKYAZWBKIVMG-RNFRBKRXSA-N 0 0 196.254 1.500 10 0 ADAERN CCC(C)(C)Nc1nccnc1N 230641410 344638165 /nfs/dbraw/zinc/63/81/65/344638165.db2.gz CCZWLZYDYZOMPZ-UHFFFAOYSA-N 0 0 180.255 1.659 10 0 ADAERN CC1CC(Nc2nccnc2N)C1 230665847 344638623 /nfs/dbraw/zinc/63/86/23/344638623.db2.gz LXGNPXOJNVBYCR-UHFFFAOYSA-N 0 0 178.239 1.269 10 0 ADAERN CC1(Nc2nccnc2N)CC1 230666323 344638510 /nfs/dbraw/zinc/63/85/10/344638510.db2.gz HLKCVLVACQNGLN-UHFFFAOYSA-N 0 0 164.212 1.023 10 0 ADAERN Nc1nccnc1Oc1cccnc1 230671695 344638617 /nfs/dbraw/zinc/63/86/17/344638617.db2.gz XZQMUBZQFCGECJ-UHFFFAOYSA-N 0 0 188.190 1.246 10 0 ADAERN C[C@@H]1CCC[C@H]1CNC(N)=S 230668086 344638618 /nfs/dbraw/zinc/63/86/18/344638618.db2.gz MTXLOJJSRNIBGR-RQJHMYQMSA-N 0 0 172.297 1.256 10 0 ADAERN C[C@H]1CCC[C@@H]1CNC(N)=S 230668081 344638676 /nfs/dbraw/zinc/63/86/76/344638676.db2.gz MTXLOJJSRNIBGR-NKWVEPMBSA-N 0 0 172.297 1.256 10 0 ADAERN CC(C)(C)Oc1nccnc1N 230669452 344638684 /nfs/dbraw/zinc/63/86/84/344638684.db2.gz BDDAAXPZOHRWFZ-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN C[C@H]1CCC[C@H]1CNC(N)=S 230668089 344638685 /nfs/dbraw/zinc/63/86/85/344638685.db2.gz MTXLOJJSRNIBGR-BQBZGAKWSA-N 0 0 172.297 1.256 10 0 ADAERN CC(C)COc1nccnc1N 230670143 344638713 /nfs/dbraw/zinc/63/87/13/344638713.db2.gz HBARJVDDZFQORU-UHFFFAOYSA-N 0 0 167.212 1.094 10 0 ADAERN Nc1nccnc1Nc1ccsc1 230661002 344638716 /nfs/dbraw/zinc/63/87/16/344638716.db2.gz QRVQCZXEGXMASI-UHFFFAOYSA-N 0 0 192.247 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c1cnnc(NCCOCC2CC2)c1 230904461 344644859 /nfs/dbraw/zinc/64/48/59/344644859.db2.gz PZYRERLJLODJGV-UHFFFAOYSA-N 0 0 193.250 1.315 10 0 ADAERN CCC[C@](C)(O)CNc1cccnn1 230905218 344644879 /nfs/dbraw/zinc/64/48/79/344644879.db2.gz DGNVAVWQAINZLC-JTQLQIEISA-N 0 0 195.266 1.440 10 0 ADAERN CC1(C)C[C@@H]1CNc1cccnn1 230905400 344644893 /nfs/dbraw/zinc/64/48/93/344644893.db2.gz PDVRJVYHFPHYSR-MRVPVSSYSA-N 0 0 177.251 1.935 10 0 ADAERN CC1(C)C[C@H]1CNc1cccnn1 230905405 344644913 /nfs/dbraw/zinc/64/49/13/344644913.db2.gz PDVRJVYHFPHYSR-QMMMGPOBSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1ccn(CCc2ccnn2C)n1 230900390 344644915 /nfs/dbraw/zinc/64/49/15/344644915.db2.gz JGIICYNRBGFKCQ-UHFFFAOYSA-N 0 0 190.250 1.168 10 0 ADAERN OC[C@@H]1CCC[C@H]1Nc1ncccn1 230912074 344645038 /nfs/dbraw/zinc/64/50/38/344645038.db2.gz XQEQWFJNEGJXML-DTWKUNHWSA-N 0 0 193.250 1.050 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ccnc(C)n1 230906025 344645047 /nfs/dbraw/zinc/64/50/47/344645047.db2.gz NZDWNEFIUYYHSM-DTWKUNHWSA-N 0 0 177.251 1.995 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RYXLXRJLWITJPE-VIFPVBQESA-N 0 0 195.266 1.296 10 0 ADAERN c1cnnc(N[C@H]2CCSC2)c1 230919408 344645224 /nfs/dbraw/zinc/64/52/24/344645224.db2.gz LLRYSRKOQIWSBN-ZETCQYMHSA-N 0 0 181.264 1.394 10 0 ADAERN CC1(C)CCN(c2nccnc2N)C1 230921320 344645265 /nfs/dbraw/zinc/64/52/65/344645265.db2.gz USGOTMFRKOEUNS-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@H]1C[C@H]1Nc1cccnn1 230905995 344645271 /nfs/dbraw/zinc/64/52/71/344645271.db2.gz VQZMYCXDTOVDAW-JGVFFNPUSA-N 0 0 163.224 1.687 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1cccnn1 230905992 344645284 /nfs/dbraw/zinc/64/52/84/344645284.db2.gz VQZMYCXDTOVDAW-HTQZYQBOSA-N 0 0 163.224 1.687 10 0 ADAERN OC[C@H]1CCC[C@H]1Nc1ccccn1 230912571 344645313 /nfs/dbraw/zinc/64/53/13/344645313.db2.gz QHPVXFSVLKHOIU-NXEZZACHSA-N 0 0 192.262 1.655 10 0 ADAERN c1cnnc(N[C@@H]2CCSC2)c1 230919404 344645345 /nfs/dbraw/zinc/64/53/45/344645345.db2.gz LLRYSRKOQIWSBN-SSDOTTSWSA-N 0 0 181.264 1.394 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1cccnn1 230905989 344645371 /nfs/dbraw/zinc/64/53/71/344645371.db2.gz VQZMYCXDTOVDAW-YUMQZZPRSA-N 0 0 163.224 1.687 10 0 ADAERN CC(C)[C@@H](CCO)Nc1cccnn1 230915215 344645381 /nfs/dbraw/zinc/64/53/81/344645381.db2.gz RYXLXRJLWITJPE-SECBINFHSA-N 0 0 195.266 1.296 10 0 ADAERN OC[C@@H]1CCC[C@H]1Nc1ccccn1 230912568 344645394 /nfs/dbraw/zinc/64/53/94/344645394.db2.gz QHPVXFSVLKHOIU-VHSXEESVSA-N 0 0 192.262 1.655 10 0 ADAERN COC(C)(C)c1nc2cncnc2[nH]1 230939838 344645546 /nfs/dbraw/zinc/64/55/46/344645546.db2.gz ROQKDAJATWTNCK-UHFFFAOYSA-N 0 0 192.222 1.234 10 0 ADAERN COC(C)(C)c1nc([C@H](C)O)no1 230939149 344645570 /nfs/dbraw/zinc/64/55/70/344645570.db2.gz AVUSGVUSCYKITO-YFKPBYRVSA-N 0 0 186.211 1.004 10 0 ADAERN COC(C)(C)Cc1nnc(N)s1 230938928 344645631 /nfs/dbraw/zinc/64/56/31/344645631.db2.gz WAUCKMCCWVYAIL-UHFFFAOYSA-N 0 0 187.268 1.088 10 0 ADAERN COC(C)(C)Cc1nc(C)n[nH]1 230939192 344645676 /nfs/dbraw/zinc/64/56/76/344645676.db2.gz ZPWHPEQUJFKMBG-UHFFFAOYSA-N 0 0 169.228 1.081 10 0 ADAERN COC(C)(C)c1n[nH]c(C2CC2)n1 230939214 344645787 /nfs/dbraw/zinc/64/57/87/344645787.db2.gz QMIRZAWWBYKHDA-UHFFFAOYSA-N 0 0 181.239 1.564 10 0 ADAERN COC(C)(C)c1nc([C@@H](C)O)no1 230939145 344645820 /nfs/dbraw/zinc/64/58/20/344645820.db2.gz AVUSGVUSCYKITO-RXMQYKEDSA-N 0 0 186.211 1.004 10 0 ADAERN Cc1nn(C)cc1N[C@H]1CCSC1 230953386 344646027 /nfs/dbraw/zinc/64/60/27/344646027.db2.gz OGUFGDHOCYGNOO-QMMMGPOBSA-N 0 0 197.307 1.646 10 0 ADAERN Cc1nn(C)cc1N[C@@H](C)C1CC1 230952407 344646040 /nfs/dbraw/zinc/64/60/40/344646040.db2.gz UFDQDBSKMFEDJT-ZETCQYMHSA-N 0 0 179.267 1.939 10 0 ADAERN CCC(C)(CC)N1CCC(=O)CC1=O 230960357 344646059 /nfs/dbraw/zinc/64/60/59/344646059.db2.gz LONANEOABWTDBG-UHFFFAOYSA-N 0 0 197.278 1.757 10 0 ADAERN Cc1nn(C)cc1NC(C)C 230951906 344646091 /nfs/dbraw/zinc/64/60/91/344646091.db2.gz ANKFHUXGMPMJPU-UHFFFAOYSA-N 0 0 153.229 1.549 10 0 ADAERN Cc1nn(C)cc1NC1CCC1 230951910 344646120 /nfs/dbraw/zinc/64/61/20/344646120.db2.gz ZYBJAXDTHCHZKW-UHFFFAOYSA-N 0 0 165.240 1.693 10 0 ADAERN Cc1nn(C)cc1NCc1ncc[nH]1 230944831 344646122 /nfs/dbraw/zinc/64/61/22/344646122.db2.gz HRMGRIWQMAHBIG-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN COC(C)(C)c1nncn1C(C)(C)C 230952883 344646137 /nfs/dbraw/zinc/64/61/37/344646137.db2.gz NKWDNBAPMCRLSC-UHFFFAOYSA-N 0 0 197.282 1.915 10 0 ADAERN CCC(C)(CC)n1cc[nH]c1=O 230961216 344646262 /nfs/dbraw/zinc/64/62/62/344646262.db2.gz NIRYQPFAFYKEHH-UHFFFAOYSA-N 0 0 168.240 1.712 10 0 ADAERN CC[C@H](C)Nc1cn(C)nc1C 230953354 344646291 /nfs/dbraw/zinc/64/62/91/344646291.db2.gz NCPKGZHFAFHOQI-ZETCQYMHSA-N 0 0 167.256 1.939 10 0 ADAERN Cc1nn(C)cc1N[C@@H]1CCSC1 230953381 344646315 /nfs/dbraw/zinc/64/63/15/344646315.db2.gz OGUFGDHOCYGNOO-MRVPVSSYSA-N 0 0 197.307 1.646 10 0 ADAERN CCC(C)(CC)N1C(=O)CNC1=O 230961219 344646322 /nfs/dbraw/zinc/64/63/22/344646322.db2.gz PJNVTAYAOKVLSB-UHFFFAOYSA-N 0 0 184.239 1.117 10 0 ADAERN COC(C)(C)c1nc(N)ns1 230951191 344646333 /nfs/dbraw/zinc/64/63/33/344646333.db2.gz WSLFOJGGYKTGNO-UHFFFAOYSA-N 0 0 173.241 1.002 10 0 ADAERN CCC(C)(CC)NC(=S)NC 230956050 344646347 /nfs/dbraw/zinc/64/63/47/344646347.db2.gz CONKJNBYRUFZTR-UHFFFAOYSA-N 0 0 174.313 1.659 10 0 ADAERN Cc1nn(C)cc1NC1CC(C)C1 230952935 344646353 /nfs/dbraw/zinc/64/63/53/344646353.db2.gz QTVJWCXEIAGULG-UHFFFAOYSA-N 0 0 179.267 1.939 10 0 ADAERN Cc1nn(C)cc1N[C@H](C)C1CC1 230952410 344646363 /nfs/dbraw/zinc/64/63/63/344646363.db2.gz UFDQDBSKMFEDJT-SSDOTTSWSA-N 0 0 179.267 1.939 10 0 ADAERN CC[C@@H](C)Nc1cn(C)nc1C 230953350 344646377 /nfs/dbraw/zinc/64/63/77/344646377.db2.gz NCPKGZHFAFHOQI-SSDOTTSWSA-N 0 0 167.256 1.939 10 0 ADAERN COC(C)(C)c1nnc(Cl)o1 230953740 344646382 /nfs/dbraw/zinc/64/63/82/344646382.db2.gz DDFVZTUEMGUGLA-UHFFFAOYSA-N 0 0 176.603 1.605 10 0 ADAERN CCC(=O)CC(C)(C)OC 230953773 344646385 /nfs/dbraw/zinc/64/63/85/344646385.db2.gz WBUNVOWFQBFHPK-UHFFFAOYSA-N 0 0 144.214 1.781 10 0 ADAERN Cc1nn(C)cc1NC[C@H]1CCOC1 230944567 344646421 /nfs/dbraw/zinc/64/64/21/344646421.db2.gz SATCWVSZGBKYEE-SECBINFHSA-N 0 0 195.266 1.177 10 0 ADAERN COC(C)(C)c1nc(Cl)no1 230949079 344646424 /nfs/dbraw/zinc/64/64/24/344646424.db2.gz WWAJCOIIFQZONM-UHFFFAOYSA-N 0 0 176.603 1.605 10 0 ADAERN Cc1nn(C)cc1NC[C@@H]1CCOC1 230944563 344646426 /nfs/dbraw/zinc/64/64/26/344646426.db2.gz SATCWVSZGBKYEE-VIFPVBQESA-N 0 0 195.266 1.177 10 0 ADAERN Cc1nn(C)cc1NCC1CC1 230945366 344646427 /nfs/dbraw/zinc/64/64/27/344646427.db2.gz LHBFFNLUBFLLAB-UHFFFAOYSA-N 0 0 165.240 1.550 10 0 ADAERN Cc1ccc(F)c2c1C[C@H](O)CN2 230982925 344646621 /nfs/dbraw/zinc/64/66/21/344646621.db2.gz BDGAJOGGQHDISX-ZETCQYMHSA-N 0 0 181.210 1.463 10 0 ADAERN O[C@H]1CNc2c(F)cc(F)cc2C1 230982880 344646643 /nfs/dbraw/zinc/64/66/43/344646643.db2.gz WDNDHFVDGSTDJJ-SSDOTTSWSA-N 0 0 185.173 1.294 10 0 ADAERN CCC(C)(CC)N1C[C@H](O)CC1=O 230968922 344646717 /nfs/dbraw/zinc/64/67/17/344646717.db2.gz QFKZCWDFBCCGDE-MRVPVSSYSA-N 0 0 185.267 1.158 10 0 ADAERN O[C@@H]1CNc2cc(F)cc(F)c2C1 230982760 344646719 /nfs/dbraw/zinc/64/67/19/344646719.db2.gz QSESREAGXSDTHM-LURJTMIESA-N 0 0 185.173 1.294 10 0 ADAERN O[C@@H]1CNc2cc(F)c(F)cc2C1 230982960 344646747 /nfs/dbraw/zinc/64/67/47/344646747.db2.gz OHFVIWHLGFPZMN-LURJTMIESA-N 0 0 185.173 1.294 10 0 ADAERN O[C@@H]1CNc2c(ccc(F)c2F)C1 230982988 344646764 /nfs/dbraw/zinc/64/67/64/344646764.db2.gz PLURRWIQQFPRAA-LURJTMIESA-N 0 0 185.173 1.294 10 0 ADAERN OCc1cc(Cl)c[nH]1 230982258 344646770 /nfs/dbraw/zinc/64/67/70/344646770.db2.gz RZZHGKVRGGYXEI-UHFFFAOYSA-N 0 0 131.562 1.160 10 0 ADAERN O[C@@H]1CNc2c(F)cc(F)cc2C1 230982877 344646774 /nfs/dbraw/zinc/64/67/74/344646774.db2.gz WDNDHFVDGSTDJJ-ZETCQYMHSA-N 0 0 185.173 1.294 10 0 ADAERN CC(C)[C@H]1CCC[C@](O)(C(N)=O)C1 231016978 344647136 /nfs/dbraw/zinc/64/71/36/344647136.db2.gz UQFWTZOWKZWFIK-WCBMZHEXSA-N 0 0 185.267 1.049 10 0 ADAERN COC(C)(C)C(=O)N(C)[C@H](C)C1CC1 230995589 344647222 /nfs/dbraw/zinc/64/72/22/344647222.db2.gz UKZXZZRVINCBOZ-MRVPVSSYSA-N 0 0 199.294 1.668 10 0 ADAERN CC(C)[C@@H]1CCC[C@@](O)(C(N)=O)C1 231016972 344647252 /nfs/dbraw/zinc/64/72/52/344647252.db2.gz UQFWTZOWKZWFIK-SCZZXKLOSA-N 0 0 185.267 1.049 10 0 ADAERN COC(C)(C)C(=O)N(C)[C@@H](C)C1CC1 230995585 344647313 /nfs/dbraw/zinc/64/73/13/344647313.db2.gz UKZXZZRVINCBOZ-QMMMGPOBSA-N 0 0 199.294 1.668 10 0 ADAERN CC(C)[C@H](Nc1ccccn1)C(N)=O 231052079 344647583 /nfs/dbraw/zinc/64/75/83/344647583.db2.gz YFLFUBRAWIJWFU-VIFPVBQESA-N 0 0 193.250 1.003 10 0 ADAERN CC(C)[C@H](C(N)=O)n1cccc1 231059685 344647664 /nfs/dbraw/zinc/64/76/64/344647664.db2.gz ZHSQUBMHEOCTCK-MRVPVSSYSA-N 0 0 166.224 1.171 10 0 ADAERN COC(C)(C)CCS[C@@H](C)CO 231033587 344647682 /nfs/dbraw/zinc/64/76/82/344647682.db2.gz UCXJCURUFOHWLG-QMMMGPOBSA-N 0 0 192.324 1.916 10 0 ADAERN COC(C)(C)CCSCCCO 231033568 344647727 /nfs/dbraw/zinc/64/77/27/344647727.db2.gz RLWSPFSFOTZQRQ-UHFFFAOYSA-N 0 0 192.324 1.917 10 0 ADAERN COC(C)(C)CCS[C@H](C)CO 231033591 344647764 /nfs/dbraw/zinc/64/77/64/344647764.db2.gz UCXJCURUFOHWLG-MRVPVSSYSA-N 0 0 192.324 1.916 10 0 ADAERN CC(C)[C@@H](C(N)=O)n1cccc1 231059683 344647796 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/nfs/dbraw/zinc/65/30/90/344653090.db2.gz FOQPEZSHFNVACF-RXMQYKEDSA-N 0 0 189.671 1.610 10 0 ADAERN CC(C)[C@H]1CC[C@@H](C)[C@H](O)[C@@H]1O 231419715 344653188 /nfs/dbraw/zinc/65/31/88/344653188.db2.gz WQFGPARDTSBVLU-DOLQZWNJSA-N 0 0 172.268 1.410 10 0 ADAERN CNC(=O)N[C@@H]1CCC[C@H]1SC 231408076 344653205 /nfs/dbraw/zinc/65/32/05/344653205.db2.gz ISUWAMKKHGNHTD-RNFRBKRXSA-N 0 0 188.296 1.200 10 0 ADAERN CC1(C)Cc2cc(O)ccc2NC1=O 231412149 344653231 /nfs/dbraw/zinc/65/32/31/344653231.db2.gz NMRIFMVUXFJJHB-UHFFFAOYSA-N 0 0 191.230 1.913 10 0 ADAERN CC(C)[C@H]1CC[C@H](C)[C@H](O)[C@@H]1O 231419744 344653242 /nfs/dbraw/zinc/65/32/42/344653242.db2.gz WQFGPARDTSBVLU-QCLAVDOMSA-N 0 0 172.268 1.410 10 0 ADAERN Nc1cncc(N[C@H]2CCSC2)c1 231449100 344653556 /nfs/dbraw/zinc/65/35/56/344653556.db2.gz CUBPZZYNQWCQJE-QMMMGPOBSA-N 0 0 195.291 1.581 10 0 ADAERN Nc1cncc(N[C@@H]2CCSC2)c1 231449083 344653588 /nfs/dbraw/zinc/65/35/88/344653588.db2.gz CUBPZZYNQWCQJE-MRVPVSSYSA-N 0 0 195.291 1.581 10 0 ADAERN CC(C)(C)OC(=O)N1C=CC1 231432153 344653609 /nfs/dbraw/zinc/65/36/09/344653609.db2.gz WXEOUSQBCNRCJO-UHFFFAOYSA-N 0 0 155.197 1.751 10 0 ADAERN O=c1[nH]cc(O)c2ccc(Cl)cc12 231512283 344654011 /nfs/dbraw/zinc/65/40/11/344654011.db2.gz QTGHQBOPNHLVID-UHFFFAOYSA-N 0 0 195.605 1.266 10 0 ADAERN CSc1cc2n[nH]cc2cc1N 231538986 344654019 /nfs/dbraw/zinc/65/40/19/344654019.db2.gz XHNIMHZQXQIMBG-UHFFFAOYSA-N 0 0 179.248 1.867 10 0 ADAERN Nc1cc2c[nH][nH]c-2cc1=S 231538193 344654087 /nfs/dbraw/zinc/65/40/87/344654087.db2.gz SQSJODSIHSAIND-UHFFFAOYSA-N 0 0 165.221 1.434 10 0 ADAERN CC(=O)NOCC1CCCCC1 231557836 344654094 /nfs/dbraw/zinc/65/40/94/344654094.db2.gz BYBQQBHSRHKGKB-UHFFFAOYSA-N 0 0 171.240 1.634 10 0 ADAERN CNc1cc(OC)c(N)cc1C 231541350 344654104 /nfs/dbraw/zinc/65/41/04/344654104.db2.gz IOWPULHVAODKME-UHFFFAOYSA-N 0 0 166.224 1.628 10 0 ADAERN C[C@@H]1OCc2ccccc2C1=O 231536375 344654118 /nfs/dbraw/zinc/65/41/18/344654118.db2.gz VHIGMODJWSCPHG-ZETCQYMHSA-N 0 0 162.188 1.788 10 0 ADAERN CC(=O)N(c1cccc(N)c1)C1CC1 231557675 344654203 /nfs/dbraw/zinc/65/42/03/344654203.db2.gz YUYRCFUYNSTTFH-UHFFFAOYSA-N 0 0 190.246 1.784 10 0 ADAERN CC1(CCCCC(N)=O)N=N1 231497378 344654211 /nfs/dbraw/zinc/65/42/11/344654211.db2.gz SSUOPUPIDXCKAH-UHFFFAOYSA-N 0 0 155.201 1.214 10 0 ADAERN C[C@H]1OCc2ccccc2C1=O 231536354 344654244 /nfs/dbraw/zinc/65/42/44/344654244.db2.gz VHIGMODJWSCPHG-SSDOTTSWSA-N 0 0 162.188 1.788 10 0 ADAERN O=c1cc[nH]cc1OC(F)(F)F 231527517 344654252 /nfs/dbraw/zinc/65/42/52/344654252.db2.gz PKUNGBKZPNOMNB-UHFFFAOYSA-N 0 0 179.097 1.274 10 0 ADAERN Cc1ccsc1CC[C@@H]([NH3+])C(=O)[O-] 231562236 344654410 /nfs/dbraw/zinc/65/44/10/344654410.db2.gz ZLNVYGNYLXUXJK-SSDOTTSWSA-N 0 0 199.275 1.401 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CCSC1 231569975 344654477 /nfs/dbraw/zinc/65/44/77/344654477.db2.gz BJYMEIWDLXKNEV-TYWZFMJISA-N 0 0 171.265 1.184 10 0 ADAERN Cc1ccc(CC[C@H]([NH3+])C(=O)[O-])s1 231562161 344654537 /nfs/dbraw/zinc/65/45/37/344654537.db2.gz WRQIHOFJWOZRGS-QMMMGPOBSA-N 0 0 199.275 1.401 10 0 ADAERN CCOC(=O)N[C@@H]1CCSC1 231569586 344654608 /nfs/dbraw/zinc/65/46/08/344654608.db2.gz YFKNMNKUIZLMKH-ZCFIWIBFSA-N 0 0 175.253 1.238 10 0 ADAERN CCOC(=O)N[C@H]1CCSC1 231569608 344654620 /nfs/dbraw/zinc/65/46/20/344654620.db2.gz YFKNMNKUIZLMKH-LURJTMIESA-N 0 0 175.253 1.238 10 0 ADAERN COC(C)(C)C(=O)NCCC1CC1 231566126 344654626 /nfs/dbraw/zinc/65/46/26/344654626.db2.gz KYCXRIBYDFBDBU-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN O=C1CCC(Oc2cnccn2)CC1 231561542 344654634 /nfs/dbraw/zinc/65/46/34/344654634.db2.gz SQZVXVDOKAPQIV-UHFFFAOYSA-N 0 0 192.218 1.367 10 0 ADAERN Cc1ccc(CC[C@@H]([NH3+])C(=O)[O-])s1 231562177 344654645 /nfs/dbraw/zinc/65/46/45/344654645.db2.gz WRQIHOFJWOZRGS-MRVPVSSYSA-N 0 0 199.275 1.401 10 0 ADAERN Oc1cnccc1OC(F)(F)F 231565631 344654664 /nfs/dbraw/zinc/65/46/64/344654664.db2.gz MBEBBROLNGOTGG-UHFFFAOYSA-N 0 0 179.097 1.686 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCSC1 231569992 344654703 /nfs/dbraw/zinc/65/47/03/344654703.db2.gz BJYMEIWDLXKNEV-AIYRYJHASA-N 0 0 171.265 1.184 10 0 ADAERN COC(C)(C)C(=O)N1C[C@H](C)[C@@H](C)C1 231601435 344654905 /nfs/dbraw/zinc/65/49/05/344654905.db2.gz ZSVZZRDMQLPAIK-IUCAKERBSA-N 0 0 199.294 1.526 10 0 ADAERN C[C@H](CO)CS[C@H]1CCO[C@@H]1C 231628525 344654925 /nfs/dbraw/zinc/65/49/25/344654925.db2.gz CUORGDCPRNUJMH-HLTSFMKQSA-N 0 0 190.308 1.525 10 0 ADAERN CCC(=O)C(C)(C)F 231583707 344654944 /nfs/dbraw/zinc/65/49/44/344654944.db2.gz VEWUHZKVYYMAIO-UHFFFAOYSA-N 0 0 118.151 1.714 10 0 ADAERN C[C@H](CO)CS[C@@H]1CCO[C@@H]1C 231628519 344654950 /nfs/dbraw/zinc/65/49/50/344654950.db2.gz CUORGDCPRNUJMH-IWSPIJDZSA-N 0 0 190.308 1.525 10 0 ADAERN COC(C)(C)C(=O)N1CCC[C@H]1C 231602201 344655004 /nfs/dbraw/zinc/65/50/04/344655004.db2.gz QNCVNXDLOKPNET-MRVPVSSYSA-N 0 0 185.267 1.422 10 0 ADAERN COC(C)(C)C(=O)N1C[C@@H](C)[C@@H](C)C1 231601424 344655180 /nfs/dbraw/zinc/65/51/80/344655180.db2.gz ZSVZZRDMQLPAIK-DTORHVGOSA-N 0 0 199.294 1.526 10 0 ADAERN CCCOCC(=O)N1CCC(C)(C)C1 231584448 344655199 /nfs/dbraw/zinc/65/51/99/344655199.db2.gz HLVKFTNDZFYRIJ-UHFFFAOYSA-N 0 0 199.294 1.672 10 0 ADAERN N#CNc1cc(Cl)ccn1 231597318 344655232 /nfs/dbraw/zinc/65/52/32/344655232.db2.gz QBZPKFBTOBTRRH-UHFFFAOYSA-N 0 0 153.572 1.628 10 0 ADAERN CCC[C@@H]1C[C@H]1NC(=O)NC 231649343 344655486 /nfs/dbraw/zinc/65/54/86/344655486.db2.gz BZSVQWCCGIENMD-RNFRBKRXSA-N 0 0 156.229 1.104 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=S)NC 231647961 344655589 /nfs/dbraw/zinc/65/55/89/344655589.db2.gz ACGLXIOTHHCRSR-BQBZGAKWSA-N 0 0 172.297 1.269 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)NC 231649334 344655597 /nfs/dbraw/zinc/65/55/97/344655597.db2.gz BZSVQWCCGIENMD-RQJHMYQMSA-N 0 0 156.229 1.104 10 0 ADAERN CNc1c(C)c(Cl)nc2ncnn12 231646308 344655656 /nfs/dbraw/zinc/65/56/56/344655656.db2.gz OHRVPGIUFYLPTI-UHFFFAOYSA-N 0 0 197.629 1.128 10 0 ADAERN COc1c(C)c(Cl)nc2ncnn12 231644943 344655678 /nfs/dbraw/zinc/65/56/78/344655678.db2.gz FIRWQYSMLIBLIZ-UHFFFAOYSA-N 0 0 198.613 1.095 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=S)NC 231647957 344655729 /nfs/dbraw/zinc/65/57/29/344655729.db2.gz ACGLXIOTHHCRSR-RQJHMYQMSA-N 0 0 172.297 1.269 10 0 ADAERN CCC[C@@H]1C[C@H]1NC(=S)NC 231647964 344655736 /nfs/dbraw/zinc/65/57/36/344655736.db2.gz ACGLXIOTHHCRSR-RNFRBKRXSA-N 0 0 172.297 1.269 10 0 ADAERN CCC[C@H]1C[C@H]1NC(=S)NC 231647967 344655785 /nfs/dbraw/zinc/65/57/85/344655785.db2.gz ACGLXIOTHHCRSR-NKWVEPMBSA-N 0 0 172.297 1.269 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)NC 231649338 344655789 /nfs/dbraw/zinc/65/57/89/344655789.db2.gz BZSVQWCCGIENMD-BQBZGAKWSA-N 0 0 156.229 1.104 10 0 ADAERN Cn1cc(N)c(NC(C)(C)C)n1 231655785 344655966 /nfs/dbraw/zinc/65/59/66/344655966.db2.gz JXDFIVOZCUANHD-UHFFFAOYSA-N 0 0 168.244 1.213 10 0 ADAERN C[C@H](Nc1nn(C)cc1N)C1CC1 231656355 344655988 /nfs/dbraw/zinc/65/59/88/344655988.db2.gz AAFXZVGVBJJFDR-LURJTMIESA-N 0 0 180.255 1.213 10 0 ADAERN Cn1cc(N)c(NCC(C)(C)C)n1 231656783 344655999 /nfs/dbraw/zinc/65/59/99/344655999.db2.gz RIAAHJNVIQFNIU-UHFFFAOYSA-N 0 0 182.271 1.460 10 0 ADAERN Cn1cc(N)c(N[C@@H]2CC2(C)C)n1 231658176 344656012 /nfs/dbraw/zinc/65/60/12/344656012.db2.gz YUKWCULBGMMNHZ-SSDOTTSWSA-N 0 0 180.255 1.213 10 0 ADAERN CC(C)[C@@H](C)Nc1nn(C)cc1N 231655764 344656038 /nfs/dbraw/zinc/65/60/38/344656038.db2.gz OXVZCSUDNXUZIR-SSDOTTSWSA-N 0 0 182.271 1.459 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1nn(C)cc1N 231659040 344656039 /nfs/dbraw/zinc/65/60/39/344656039.db2.gz OPKQWYIVNKAYGT-VXNVDRBHSA-N 0 0 194.282 1.603 10 0 ADAERN Cn1cc(N)c(NCC2CCC2)n1 231656211 344656042 /nfs/dbraw/zinc/65/60/42/344656042.db2.gz NJXDILDZYJQJAP-UHFFFAOYSA-N 0 0 180.255 1.214 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1nn(C)cc1N 231659034 344656043 /nfs/dbraw/zinc/65/60/43/344656043.db2.gz OPKQWYIVNKAYGT-APPZFPTMSA-N 0 0 194.282 1.603 10 0 ADAERN Cn1cc(N)c(Nc2ccccc2)n1 231655779 344656045 /nfs/dbraw/zinc/65/60/45/344656045.db2.gz SQVOLYPLCBPSNT-UHFFFAOYSA-N 0 0 188.234 1.746 10 0 ADAERN C[C@@H](Nc1nn(C)cc1N)C1CC1 231656354 344656051 /nfs/dbraw/zinc/65/60/51/344656051.db2.gz AAFXZVGVBJJFDR-ZCFIWIBFSA-N 0 0 180.255 1.213 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1nn(C)cc1N 231659037 344656082 /nfs/dbraw/zinc/65/60/82/344656082.db2.gz OPKQWYIVNKAYGT-CBAPKCEASA-N 0 0 194.282 1.603 10 0 ADAERN CCC(C)(C)N(C)c1nn(C)cc1N 231659331 344656089 /nfs/dbraw/zinc/65/60/89/344656089.db2.gz HYBZPXDPTNYZBL-UHFFFAOYSA-N 0 0 196.298 1.627 10 0 ADAERN CCC(C)(C)Nc1nn(C)cc1N 231655783 344656113 /nfs/dbraw/zinc/65/61/13/344656113.db2.gz CGNSPTSHLAUBEJ-UHFFFAOYSA-N 0 0 182.271 1.603 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1nn(C)cc1N 231659042 344656124 /nfs/dbraw/zinc/65/61/24/344656124.db2.gz OPKQWYIVNKAYGT-IONNQARKSA-N 0 0 194.282 1.603 10 0 ADAERN Cn1cc(N)c(N2CCCC2(C)C)n1 231658988 344656136 /nfs/dbraw/zinc/65/61/36/344656136.db2.gz IZHDGMVRVDPOET-UHFFFAOYSA-N 0 0 194.282 1.381 10 0 ADAERN Cn1cc(N)c(N[C@H]2CC2(C)C)n1 231658179 344656139 /nfs/dbraw/zinc/65/61/39/344656139.db2.gz YUKWCULBGMMNHZ-ZETCQYMHSA-N 0 0 180.255 1.213 10 0 ADAERN CC(C)[C@H](C)Nc1nn(C)cc1N 231655767 344656156 /nfs/dbraw/zinc/65/61/56/344656156.db2.gz OXVZCSUDNXUZIR-ZETCQYMHSA-N 0 0 182.271 1.459 10 0 ADAERN O=C(CC1CCC1)Nc1ncc[nH]1 231659483 344656161 /nfs/dbraw/zinc/65/61/61/344656161.db2.gz ZCIABERXOPCBSG-UHFFFAOYSA-N 0 0 179.223 1.538 10 0 ADAERN CC(C)CN(C)c1nn(C)cc1N 231656178 344656194 /nfs/dbraw/zinc/65/61/94/344656194.db2.gz OXHKOCJBLJSRQR-UHFFFAOYSA-N 0 0 182.271 1.095 10 0 ADAERN Cn1cc(N)c(NC2CC=CC2)n1 231661814 344656358 /nfs/dbraw/zinc/65/63/58/344656358.db2.gz FQDJFYAGWGUQOW-UHFFFAOYSA-N 0 0 178.239 1.133 10 0 ADAERN CC1CC(Nc2nn(C)cc2N)C1 231661775 344656359 /nfs/dbraw/zinc/65/63/59/344656359.db2.gz LXQDRHZRMRVSAY-UHFFFAOYSA-N 0 0 180.255 1.213 10 0 ADAERN Cn1cc(N)c(SC(C)(C)C)n1 231666479 344656368 /nfs/dbraw/zinc/65/63/68/344656368.db2.gz BFXNPMQURVUEDX-UHFFFAOYSA-N 0 0 185.296 1.893 10 0 ADAERN CCSc1nn(C)cc1N 231666476 344656395 /nfs/dbraw/zinc/65/63/95/344656395.db2.gz HHXAMYZXVNQQNA-UHFFFAOYSA-N 0 0 157.242 1.114 10 0 ADAERN Cc1cnc(CNc2ccncn2)o1 231660907 344656396 /nfs/dbraw/zinc/65/63/96/344656396.db2.gz FVWCIOCOYRFTMR-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN C[C@H]1C[C@H]1CNc1nn(C)cc1N 231661741 344656397 /nfs/dbraw/zinc/65/63/97/344656397.db2.gz ATCPHPDDLRQNMF-BQBZGAKWSA-N 0 0 180.255 1.070 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1nn(C)cc1N 231661732 344656432 /nfs/dbraw/zinc/65/64/32/344656432.db2.gz ATCPHPDDLRQNMF-RNFRBKRXSA-N 0 0 180.255 1.070 10 0 ADAERN CC[C@@H]1CCN(c2nn(C)cc2N)C1 231661637 344656463 /nfs/dbraw/zinc/65/64/63/344656463.db2.gz BJGGHLSZAFISIZ-MRVPVSSYSA-N 0 0 194.282 1.239 10 0 ADAERN C[C@H]1C[C@@H]1CNc1nn(C)cc1N 231661735 344656464 /nfs/dbraw/zinc/65/64/64/344656464.db2.gz ATCPHPDDLRQNMF-NKWVEPMBSA-N 0 0 180.255 1.070 10 0 ADAERN Cn1cc(N)c(NCCC(C)(C)C)n1 231662169 344656486 /nfs/dbraw/zinc/65/64/86/344656486.db2.gz UKRMWSFBVDKYIJ-UHFFFAOYSA-N 0 0 196.298 1.850 10 0 ADAERN CC(C)CSc1nn(C)cc1N 231666499 344656524 /nfs/dbraw/zinc/65/65/24/344656524.db2.gz AXBJNYJILPRDSF-UHFFFAOYSA-N 0 0 185.296 1.750 10 0 ADAERN Cn1cc(N)c(Nc2ccsc2)n1 231660288 344656538 /nfs/dbraw/zinc/65/65/38/344656538.db2.gz GEGWTGNARKNDRQ-UHFFFAOYSA-N 0 0 194.263 1.807 10 0 ADAERN Cn1cc(N)c(NC2(C)CCC2)n1 231661904 344656550 /nfs/dbraw/zinc/65/65/50/344656550.db2.gz ZTFYNVGGVUQTRV-UHFFFAOYSA-N 0 0 180.255 1.357 10 0 ADAERN CC[C@H]1CCN(c2nn(C)cc2N)C1 231661642 344656584 /nfs/dbraw/zinc/65/65/84/344656584.db2.gz BJGGHLSZAFISIZ-QMMMGPOBSA-N 0 0 194.282 1.239 10 0 ADAERN Cc1cnc(CNc2nncs2)o1 231661781 344656595 /nfs/dbraw/zinc/65/65/95/344656595.db2.gz AIXZIPJGPKHWHK-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN CC(C)Sc1nn(C)cc1N 231666572 344656598 /nfs/dbraw/zinc/65/65/98/344656598.db2.gz WJAPNYMWWOCYES-UHFFFAOYSA-N 0 0 171.269 1.503 10 0 ADAERN C[C@@H]1C[C@H]1CNc1nn(C)cc1N 231661737 344656609 /nfs/dbraw/zinc/65/66/09/344656609.db2.gz ATCPHPDDLRQNMF-RQJHMYQMSA-N 0 0 180.255 1.070 10 0 ADAERN CCCSc1nn(C)cc1N 231666482 344656614 /nfs/dbraw/zinc/65/66/14/344656614.db2.gz WONGWBYWJWGQIW-UHFFFAOYSA-N 0 0 171.269 1.504 10 0 ADAERN Cc1cnc(Cn2cc[nH]c2=S)o1 231664989 344656616 /nfs/dbraw/zinc/65/66/16/344656616.db2.gz VNWVTOFURCSDNU-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN CO[C@H]1CC[C@H](NC(=O)NC2CC2)C1 231685772 344656845 /nfs/dbraw/zinc/65/68/45/344656845.db2.gz VEMZGUJZIHUCSH-IUCAKERBSA-N 0 0 198.266 1.016 10 0 ADAERN CO[C@@H]1CC[C@@H](Nc2cccnn2)C1 231682058 344656848 /nfs/dbraw/zinc/65/68/48/344656848.db2.gz IOQSXCYFMPBDJC-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@H]1CC[C@@H](Nc2ncns2)C1 231684285 344656868 /nfs/dbraw/zinc/65/68/68/344656868.db2.gz YPDYIDIWCLVDSW-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN CO[C@@H]1CC[C@@H](Nc2ncns2)C1 231684282 344656878 /nfs/dbraw/zinc/65/68/78/344656878.db2.gz YPDYIDIWCLVDSW-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN CO[C@H]1CC[C@H](Nc2cccnn2)C1 231682069 344656897 /nfs/dbraw/zinc/65/68/97/344656897.db2.gz IOQSXCYFMPBDJC-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN Cc1cnc(Cn2cnnc2Cl)o1 231676826 344656899 /nfs/dbraw/zinc/65/68/99/344656899.db2.gz OSDRPJZUFFNYKU-UHFFFAOYSA-N 0 0 198.613 1.276 10 0 ADAERN CO[C@H]1CC[C@H](Nc2ncns2)C1 231684292 344656904 /nfs/dbraw/zinc/65/69/04/344656904.db2.gz YPDYIDIWCLVDSW-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN Cc1cc([C@@H](C)NN)cc(C)n1 231674739 344656947 /nfs/dbraw/zinc/65/69/47/344656947.db2.gz ISOSCCBQHVQXLJ-MRVPVSSYSA-N 0 0 165.240 1.223 10 0 ADAERN CO[C@H]1CC[C@@H](NC(=O)NC2CC2)C1 231685765 344656954 /nfs/dbraw/zinc/65/69/54/344656954.db2.gz VEMZGUJZIHUCSH-BDAKNGLRSA-N 0 0 198.266 1.016 10 0 ADAERN CO[C@@H]1CC[C@H](Nc2cccnn2)C1 231682067 344656995 /nfs/dbraw/zinc/65/69/95/344656995.db2.gz IOQSXCYFMPBDJC-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN Cc1cc([C@H](C)NN)cc(C)n1 231674742 344657027 /nfs/dbraw/zinc/65/70/27/344657027.db2.gz ISOSCCBQHVQXLJ-QMMMGPOBSA-N 0 0 165.240 1.223 10 0 ADAERN CO[C@@H]1CC[C@H](Nc2ncns2)C1 231684289 344657092 /nfs/dbraw/zinc/65/70/92/344657092.db2.gz YPDYIDIWCLVDSW-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN CO[C@H]1CC[C@@H](Nc2cccnn2)C1 231682062 344657098 /nfs/dbraw/zinc/65/70/98/344657098.db2.gz IOQSXCYFMPBDJC-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN CO[C@@H]1CC[C@@H](NC(=O)NC2CC2)C1 231685762 344657104 /nfs/dbraw/zinc/65/71/04/344657104.db2.gz VEMZGUJZIHUCSH-RKDXNWHRSA-N 0 0 198.266 1.016 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCCC1 231694485 344657311 /nfs/dbraw/zinc/65/73/11/344657311.db2.gz OSEODYFMFYPPDF-ZJUUUORDSA-N 0 0 196.294 1.980 10 0 ADAERN CO[C@H]1CC[C@H](NC(=O)C(C)(C)C)C1 231693224 344657351 /nfs/dbraw/zinc/65/73/51/344657351.db2.gz FSJCMJXCNRGMQS-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@@H]1CC[C@H](NC(=O)C(C)(C)C)C1 231693222 344657366 /nfs/dbraw/zinc/65/73/66/344657366.db2.gz FSJCMJXCNRGMQS-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)N1CCCC1 231694489 344657377 /nfs/dbraw/zinc/65/73/77/344657377.db2.gz OSEODYFMFYPPDF-UWVGGRQHSA-N 0 0 196.294 1.980 10 0 ADAERN CO[C@H]1CC[C@H](NC(=O)C(C)C)C1 231693266 344657383 /nfs/dbraw/zinc/65/73/83/344657383.db2.gz CQRCNDXNNLUYKS-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN CO[C@H]1CC[C@@H](NC(=O)C2CC2)C1 231687044 344657411 /nfs/dbraw/zinc/65/74/11/344657411.db2.gz WGDUPSPBORDIBD-BDAKNGLRSA-N 0 0 183.251 1.080 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@@H](OC)C1 231693075 344657416 /nfs/dbraw/zinc/65/74/16/344657416.db2.gz OKBIMRTUMHGWQG-HUGTUPKYSA-N 0 0 183.251 1.246 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@H](OC)C1 231693275 344657490 /nfs/dbraw/zinc/65/74/90/344657490.db2.gz IQSFVRWOYKCESS-SFYZADRCSA-N 0 0 171.240 1.080 10 0 ADAERN CO[C@H]1CC[C@@H](NC(=O)C(C)C)C1 231693259 344657513 /nfs/dbraw/zinc/65/75/13/344657513.db2.gz CQRCNDXNNLUYKS-BDAKNGLRSA-N 0 0 185.267 1.326 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(C)=O 231691680 344657518 /nfs/dbraw/zinc/65/75/18/344657518.db2.gz ROVJGZJWCWRRQW-YUMQZZPRSA-N 0 0 141.214 1.311 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@H](OC)C1 231693079 344657545 /nfs/dbraw/zinc/65/75/45/344657545.db2.gz OKBIMRTUMHGWQG-BKIAHZASSA-N 0 0 183.251 1.246 10 0 ADAERN CO[C@H]1CC[C@H](NC(=O)C2CC2)C1 231687052 344657564 /nfs/dbraw/zinc/65/75/64/344657564.db2.gz WGDUPSPBORDIBD-IUCAKERBSA-N 0 0 183.251 1.080 10 0 ADAERN COCc1cn2c(C)cc(C)nc2n1 231720098 344658111 /nfs/dbraw/zinc/65/81/11/344658111.db2.gz YTHHIEUZMJXMHU-UHFFFAOYSA-N 0 0 191.234 1.493 10 0 ADAERN COCc1cn2c(n1)N[C@@H](C)C[C@@H]2C 231720324 344658142 /nfs/dbraw/zinc/65/81/42/344658142.db2.gz YSJWBMPHNSFULP-YUMQZZPRSA-N 0 0 195.266 1.795 10 0 ADAERN COCc1cn2c(n1)N[C@H](C)C[C@H]2C 231720437 344658150 /nfs/dbraw/zinc/65/81/50/344658150.db2.gz YSJWBMPHNSFULP-HTQZYQBOSA-N 0 0 195.266 1.795 10 0 ADAERN COCc1coc(Br)n1 231721898 344658187 /nfs/dbraw/zinc/65/81/87/344658187.db2.gz SHEPTFKZHFGASO-UHFFFAOYSA-N 0 0 192.012 1.584 10 0 ADAERN O=C(NCc1cc[nH]c1)C1CC=CC1 231726838 344658203 /nfs/dbraw/zinc/65/82/03/344658203.db2.gz YDKQQKSYNFYMLA-UHFFFAOYSA-N 0 0 190.246 1.597 10 0 ADAERN COCc1cn2c(n1)N[C@@H](C)C[C@H]2C 231720380 344658219 /nfs/dbraw/zinc/65/82/19/344658219.db2.gz YSJWBMPHNSFULP-JGVFFNPUSA-N 0 0 195.266 1.795 10 0 ADAERN COCc1cn2c(n1)N[C@H](C)C[C@@H]2C 231720327 344658324 /nfs/dbraw/zinc/65/83/24/344658324.db2.gz YSJWBMPHNSFULP-SFYZADRCSA-N 0 0 195.266 1.795 10 0 ADAERN COCc1cn2ccc(C)cc2n1 231720090 344658332 /nfs/dbraw/zinc/65/83/32/344658332.db2.gz XQZYXPQIRLPIQW-UHFFFAOYSA-N 0 0 176.219 1.789 10 0 ADAERN C/C(=C\c1ccc[nH]1)[C@H](C)O 231746814 344658508 /nfs/dbraw/zinc/65/85/08/344658508.db2.gz ALMUUPDOEADDLY-CZEYKFRCSA-N 0 0 151.209 1.799 10 0 ADAERN C/C(=C\c1ccc[nH]1)[C@@H](C)O 231746812 344658593 /nfs/dbraw/zinc/65/85/93/344658593.db2.gz ALMUUPDOEADDLY-HYDMIIDASA-N 0 0 151.209 1.799 10 0 ADAERN Cc1cnc([C@H](C)N2CCC(=O)C2)o1 231745699 344658610 /nfs/dbraw/zinc/65/86/10/344658610.db2.gz OVYJEVDHCRATPI-QMMMGPOBSA-N 0 0 194.234 1.319 10 0 ADAERN Cc1cnc([C@H](C)NC#N)o1 231742377 344658656 /nfs/dbraw/zinc/65/86/56/344658656.db2.gz PDBLXECEDXBCCL-LURJTMIESA-N 0 0 151.169 1.115 10 0 ADAERN Cc1cnc([C@@H](C)N2CCC(=O)C2)o1 231745697 344658683 /nfs/dbraw/zinc/65/86/83/344658683.db2.gz OVYJEVDHCRATPI-MRVPVSSYSA-N 0 0 194.234 1.319 10 0 ADAERN Cc1ccc(NN)c(F)c1F 231741680 344658689 /nfs/dbraw/zinc/65/86/89/344658689.db2.gz ZAVHZJAUOBSIGE-UHFFFAOYSA-N 0 0 158.151 1.559 10 0 ADAERN Cc1cnc([C@@H](C)NC#N)o1 231742374 344658697 /nfs/dbraw/zinc/65/86/97/344658697.db2.gz PDBLXECEDXBCCL-ZCFIWIBFSA-N 0 0 151.169 1.115 10 0 ADAERN C/C(=C\c1cc[nH]c1)[C@H](C)O 231748533 344658917 /nfs/dbraw/zinc/65/89/17/344658917.db2.gz MOVOMUSVMIWIER-IVGLGHLBSA-N 0 0 151.209 1.799 10 0 ADAERN CCc1nn(C)cc1/C=C(/C)[C@@H](C)O 231749342 344658919 /nfs/dbraw/zinc/65/89/19/344658919.db2.gz DYTWPFXTPNZTJE-JGAIRUGNSA-N 0 0 194.278 1.767 10 0 ADAERN C/C(=C\c1cccn1C)[C@@H](C)O 231749211 344658924 /nfs/dbraw/zinc/65/89/24/344658924.db2.gz NDSAVSFSJXMCGZ-FCZSHJHJSA-N 0 0 165.236 1.809 10 0 ADAERN C/C(=C\c1cc[nH]c1)[C@@H](C)O 231748529 344658949 /nfs/dbraw/zinc/65/89/49/344658949.db2.gz MOVOMUSVMIWIER-WVXIBAHESA-N 0 0 151.209 1.799 10 0 ADAERN C/C(=C\c1cccn1C)[C@H](C)O 231749214 344658987 /nfs/dbraw/zinc/65/89/87/344658987.db2.gz NDSAVSFSJXMCGZ-FLOXNTQESA-N 0 0 165.236 1.809 10 0 ADAERN CCc1nn(C)cc1/C=C(/C)[C@H](C)O 231749345 344659074 /nfs/dbraw/zinc/65/90/74/344659074.db2.gz DYTWPFXTPNZTJE-XZLDQRQTSA-N 0 0 194.278 1.767 10 0 ADAERN Cc1ccc(CNN)c(F)c1F 231751790 344659344 /nfs/dbraw/zinc/65/93/44/344659344.db2.gz SHJIHZUIZZSFIX-UHFFFAOYSA-N 0 0 172.178 1.237 10 0 ADAERN CCNC(=O)Nc1ncccc1Cl 231770981 344660089 /nfs/dbraw/zinc/66/00/89/344660089.db2.gz KGNAZFSCNMXJKJ-UHFFFAOYSA-N 0 0 199.641 1.876 10 0 ADAERN O=C1NCCN1c1ncccc1Cl 231771642 344660162 /nfs/dbraw/zinc/66/01/62/344660162.db2.gz FSRKBTHUGBDITA-UHFFFAOYSA-N 0 0 197.625 1.265 10 0 ADAERN CN(C)C(=O)Nc1ncccc1Cl 231771015 344660211 /nfs/dbraw/zinc/66/02/11/344660211.db2.gz MVJNVOBVQZVEDN-UHFFFAOYSA-N 0 0 199.641 1.829 10 0 ADAERN CC1(C)CC[C@@H](NCc2ncon2)C1 231773081 344660333 /nfs/dbraw/zinc/66/03/33/344660333.db2.gz FSJUHXBQDKUKMG-MRVPVSSYSA-N 0 0 195.266 1.738 10 0 ADAERN CC[C@H](O)c1noc(C(C)(C)C)n1 231782666 344660336 /nfs/dbraw/zinc/66/03/36/344660336.db2.gz VWMJZGAGFUZHAU-LURJTMIESA-N 0 0 184.239 1.811 10 0 ADAERN C[C@@H]1CCC[C@H](NCc2ncon2)C1 231780777 344660348 /nfs/dbraw/zinc/66/03/48/344660348.db2.gz CPZVZPZLCBXUFY-BDAKNGLRSA-N 0 0 195.266 1.738 10 0 ADAERN Nc1cccc(NCc2ncon2)c1 231778796 344660355 /nfs/dbraw/zinc/66/03/55/344660355.db2.gz IFIXVAJOEODWLL-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN C[C@H]1CCC[C@H](NCc2ncon2)C1 231780781 344660374 /nfs/dbraw/zinc/66/03/74/344660374.db2.gz CPZVZPZLCBXUFY-IUCAKERBSA-N 0 0 195.266 1.738 10 0 ADAERN C[C@H]1CCC[C@@H](NCc2ncon2)C1 231780774 344660450 /nfs/dbraw/zinc/66/04/50/344660450.db2.gz CPZVZPZLCBXUFY-DTWKUNHWSA-N 0 0 195.266 1.738 10 0 ADAERN CC1(C)CC[C@H](NCc2ncon2)C1 231773083 344660510 /nfs/dbraw/zinc/66/05/10/344660510.db2.gz FSJUHXBQDKUKMG-QMMMGPOBSA-N 0 0 195.266 1.738 10 0 ADAERN C[C@@H]1CCC[C@@H](NCc2ncon2)C1 231780772 344660515 /nfs/dbraw/zinc/66/05/15/344660515.db2.gz CPZVZPZLCBXUFY-RKDXNWHRSA-N 0 0 195.266 1.738 10 0 ADAERN c1nc(CNC2CCCCCC2)no1 231772155 344660523 /nfs/dbraw/zinc/66/05/23/344660523.db2.gz NSKGYNXDTLDMHB-UHFFFAOYSA-N 0 0 195.266 1.882 10 0 ADAERN CC[C@@H](O)c1noc(-c2ccoc2)n1 231783918 344660586 /nfs/dbraw/zinc/66/05/86/344660586.db2.gz DVAGBRGAKZTLSQ-SSDOTTSWSA-N 0 0 194.190 1.773 10 0 ADAERN C[C@H]1CCCC[C@H]1NCc1ncon1 231775156 344660607 /nfs/dbraw/zinc/66/06/07/344660607.db2.gz CNOIPISBPGJQBS-DTWKUNHWSA-N 0 0 195.266 1.738 10 0 ADAERN CC[C@H](O)c1noc(C2CC2)n1 231783067 344660639 /nfs/dbraw/zinc/66/06/39/344660639.db2.gz PXFRMMJTBPOJEC-LURJTMIESA-N 0 0 168.196 1.390 10 0 ADAERN CC[C@H](O)c1noc(-c2ccon2)n1 231782357 344660642 /nfs/dbraw/zinc/66/06/42/344660642.db2.gz YUEYBMOEIIJNLR-LURJTMIESA-N 0 0 195.178 1.168 10 0 ADAERN CC[C@H](O)c1noc(-c2ccoc2)n1 231783921 344660662 /nfs/dbraw/zinc/66/06/62/344660662.db2.gz DVAGBRGAKZTLSQ-ZETCQYMHSA-N 0 0 194.190 1.773 10 0 ADAERN CC[C@@H](O)c1noc(C(C)(C)C)n1 231782664 344660689 /nfs/dbraw/zinc/66/06/89/344660689.db2.gz VWMJZGAGFUZHAU-ZCFIWIBFSA-N 0 0 184.239 1.811 10 0 ADAERN C[C@H]1CCCC[C@@H]1NCc1ncon1 231775153 344660693 /nfs/dbraw/zinc/66/06/93/344660693.db2.gz CNOIPISBPGJQBS-IUCAKERBSA-N 0 0 195.266 1.738 10 0 ADAERN C[C@@H]1CCCC[C@@H]1NCc1ncon1 231775151 344660722 /nfs/dbraw/zinc/66/07/22/344660722.db2.gz CNOIPISBPGJQBS-BDAKNGLRSA-N 0 0 195.266 1.738 10 0 ADAERN CC[C@@H](O)c1noc(C2CC2)n1 231783064 344660727 /nfs/dbraw/zinc/66/07/27/344660727.db2.gz PXFRMMJTBPOJEC-ZCFIWIBFSA-N 0 0 168.196 1.390 10 0 ADAERN CC[C@@H](O)c1noc(-c2ccon2)n1 231782354 344660738 /nfs/dbraw/zinc/66/07/38/344660738.db2.gz YUEYBMOEIIJNLR-ZCFIWIBFSA-N 0 0 195.178 1.168 10 0 ADAERN C[C@@H]1CCCC[C@H]1NCc1ncon1 231775154 344660747 /nfs/dbraw/zinc/66/07/47/344660747.db2.gz CNOIPISBPGJQBS-RKDXNWHRSA-N 0 0 195.266 1.738 10 0 ADAERN CC1CC(Nc2cnn(C)c2)C1 231789306 344660957 /nfs/dbraw/zinc/66/09/57/344660957.db2.gz ACASAHJGIQNKFI-UHFFFAOYSA-N 0 0 165.240 1.631 10 0 ADAERN CC1CC(Nc2ccn(C)n2)C1 231788882 344661137 /nfs/dbraw/zinc/66/11/37/344661137.db2.gz UPBQFXQEBZHWHR-UHFFFAOYSA-N 0 0 165.240 1.631 10 0 ADAERN Cc1noc(CNC2CC(C)C2)n1 231788088 344661140 /nfs/dbraw/zinc/66/11/40/344661140.db2.gz FZDCFRSYOJRAOQ-UHFFFAOYSA-N 0 0 181.239 1.266 10 0 ADAERN C/C=C/C(=O)Nc1ccc(F)nc1F 231793587 344661551 /nfs/dbraw/zinc/66/15/51/344661551.db2.gz GRIBKIJRINTSMM-NSCUHMNNSA-N 0 0 198.172 1.874 10 0 ADAERN CC(=O)NCCNc1ccsc1 231825609 344661807 /nfs/dbraw/zinc/66/18/07/344661807.db2.gz LIBRKHWWJVFYMH-UHFFFAOYSA-N 0 0 184.264 1.296 10 0 ADAERN O=C1CC[C@@H](CNc2ccsc2)N1 231825612 344661850 /nfs/dbraw/zinc/66/18/50/344661850.db2.gz SZDBSPNHVBSYRQ-ZETCQYMHSA-N 0 0 196.275 1.439 10 0 ADAERN O=C1CC[C@H](CNc2ccsc2)N1 231825614 344661887 /nfs/dbraw/zinc/66/18/87/344661887.db2.gz SZDBSPNHVBSYRQ-SSDOTTSWSA-N 0 0 196.275 1.439 10 0 ADAERN Cc1nc(CNc2nccs2)no1 231826522 344661891 /nfs/dbraw/zinc/66/18/91/344661891.db2.gz DDJVGMMYKSFYJI-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN c1ccc(NCc2ncon2)nc1 231827454 344662031 /nfs/dbraw/zinc/66/20/31/344662031.db2.gz PIGZDXYSIBJHHP-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN Cc1csc(NCc2ncon2)n1 231828688 344662083 /nfs/dbraw/zinc/66/20/83/344662083.db2.gz SIKSGGLARSQIQV-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN c1csc(NCc2ncon2)n1 231829628 344662105 /nfs/dbraw/zinc/66/21/05/344662105.db2.gz AMWOZNAHGCOKQU-UHFFFAOYSA-N 0 0 182.208 1.138 10 0 ADAERN Cc1cccc(NCc2ncon2)n1 231828810 344662148 /nfs/dbraw/zinc/66/21/48/344662148.db2.gz JRMPFYQEZNCYKH-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN CC[C@@H](C)n1cc(C(=O)OC)nn1 231845455 344662401 /nfs/dbraw/zinc/66/24/01/344662401.db2.gz KDRKXUOAGFYKTP-ZCFIWIBFSA-N 0 0 183.211 1.036 10 0 ADAERN CC(=O)NCc1cccc(N)c1C 231859070 344662431 /nfs/dbraw/zinc/66/24/31/344662431.db2.gz FWLCHBCSPLLNKI-UHFFFAOYSA-N 0 0 178.235 1.213 10 0 ADAERN CCC(=O)NCc1cccc(N)c1C 231859332 344662477 /nfs/dbraw/zinc/66/24/77/344662477.db2.gz HUEXGNSVMUACSY-UHFFFAOYSA-N 0 0 192.262 1.603 10 0 ADAERN CC[C@H](C)n1cc(C(=O)OC)nn1 231845458 344662510 /nfs/dbraw/zinc/66/25/10/344662510.db2.gz KDRKXUOAGFYKTP-LURJTMIESA-N 0 0 183.211 1.036 10 0 ADAERN Cc1ccc(C)n1CCc1ncno1 231848747 344662536 /nfs/dbraw/zinc/66/25/36/344662536.db2.gz CPMCDDKLCAHRFC-UHFFFAOYSA-N 0 0 191.234 1.731 10 0 ADAERN Fc1cc(NCc2ncon2)ccn1 231838816 344662591 /nfs/dbraw/zinc/66/25/91/344662591.db2.gz RDRDXKHIYNLVJH-UHFFFAOYSA-N 0 0 194.169 1.216 10 0 ADAERN O=C1Cc2c(F)ccc(Cl)c2N1 231836966 344662713 /nfs/dbraw/zinc/66/27/13/344662713.db2.gz HGYSSFWDNJBPLH-UHFFFAOYSA-N 0 0 185.585 1.974 10 0 ADAERN Cc1ccc(C)n1Cc1ncon1 231848738 344662737 /nfs/dbraw/zinc/66/27/37/344662737.db2.gz AOFBTPIBQZTDNZ-UHFFFAOYSA-N 0 0 177.207 1.536 10 0 ADAERN Nc1ccc(NCc2ccno2)cn1 231879429 344663027 /nfs/dbraw/zinc/66/30/27/344663027.db2.gz IFTYPROLTGEWLV-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN Nc1cnc(NCc2ccno2)s1 231879523 344663123 /nfs/dbraw/zinc/66/31/23/344663123.db2.gz RSFUEMPLPZCUGW-UHFFFAOYSA-N 0 0 196.235 1.325 10 0 ADAERN Cc1c(N)cccc1Cn1cnnc1 231866882 344663147 /nfs/dbraw/zinc/66/31/47/344663147.db2.gz WRPNXLOKRCQPFI-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1ccnc(NCc2ccno2)c1 231901123 344664097 /nfs/dbraw/zinc/66/40/97/344664097.db2.gz DBZIEUFVAVXGCE-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN c1cc(NCc2ccno2)ncn1 231901465 344664086 /nfs/dbraw/zinc/66/40/86/344664086.db2.gz AYRPJLSPXYEIPC-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN Fc1cccnc1NCc1ccno1 231900899 344664089 /nfs/dbraw/zinc/66/40/89/344664089.db2.gz MTQPUEFUMDZQLG-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN c1cnc(NCc2ccno2)cn1 231902350 344664091 /nfs/dbraw/zinc/66/40/91/344664091.db2.gz YJCWHZSACOCKBT-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN c1cnnc(NCc2ccno2)c1 231901649 344664151 /nfs/dbraw/zinc/66/41/51/344664151.db2.gz DBMCAKHGTARONK-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN S=c1[nH]ccn1Cc1ccno1 231902629 344664238 /nfs/dbraw/zinc/66/42/38/344664238.db2.gz AJBRGQYUSPXANW-UHFFFAOYSA-N 0 0 181.220 1.208 10 0 ADAERN Fc1cccc(NCc2ccno2)n1 231914870 344664725 /nfs/dbraw/zinc/66/47/25/344664725.db2.gz PYUXSYIPZSIETN-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN Cn1ccc(-c2nc(Cl)no2)n1 231919367 344664728 /nfs/dbraw/zinc/66/47/28/344664728.db2.gz LYTPWCAUXHBBRM-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN CCC(=O)c1cnn2ccncc12 231930191 344664757 /nfs/dbraw/zinc/66/47/57/344664757.db2.gz QJBMPIRTFQJVBQ-UHFFFAOYSA-N 0 0 175.191 1.322 10 0 ADAERN CSCCOC1CCOCC1 231932497 344664764 /nfs/dbraw/zinc/66/47/64/344664764.db2.gz YWHGASPAKXLWGC-UHFFFAOYSA-N 0 0 176.281 1.545 10 0 ADAERN Fc1cc(NCc2ccno2)ccn1 231914602 344664856 /nfs/dbraw/zinc/66/48/56/344664856.db2.gz XPQIDMOBPAVYAJ-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN Cn1ccc(-c2nnc(Cl)o2)n1 231930105 344664977 /nfs/dbraw/zinc/66/49/77/344664977.db2.gz VXVCGLVQELSJDM-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Fc1cc(NCc2ccno2)ncn1 231914507 344665051 /nfs/dbraw/zinc/66/50/51/344665051.db2.gz BWIZZUINLHWNDR-UHFFFAOYSA-N 0 0 194.169 1.216 10 0 ADAERN Cn1nc(C2(O)CC2)c2ccccc21 231921217 344665057 /nfs/dbraw/zinc/66/50/57/344665057.db2.gz LFFSDXJHRXSRHQ-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN O=c1[nH]ccn1-c1ncccc1Cl 231931079 344665060 /nfs/dbraw/zinc/66/50/60/344665060.db2.gz NZBGGZIUPYKREY-UHFFFAOYSA-N 0 0 195.609 1.214 10 0 ADAERN O=c1[nH]ccn1C(C1CC1)C1CC1 231937639 344665659 /nfs/dbraw/zinc/66/56/59/344665659.db2.gz RKWOIQOYLBVOFG-UHFFFAOYSA-N 0 0 178.235 1.538 10 0 ADAERN CC1(C)C[C@H]1n1cc[nH]c1=O 231937213 344665664 /nfs/dbraw/zinc/66/56/64/344665664.db2.gz JAYVRQGURDWFPL-ZCFIWIBFSA-N 0 0 152.197 1.147 10 0 ADAERN CCC(C)(C)n1cc[nH]c1=O 231935609 344665687 /nfs/dbraw/zinc/66/56/87/344665687.db2.gz JVUDBSOPRLLGIX-UHFFFAOYSA-N 0 0 154.213 1.322 10 0 ADAERN CC[C@H](C)n1cc[nH]c1=O 231935512 344665693 /nfs/dbraw/zinc/66/56/93/344665693.db2.gz AXIMKNGKTFQAIO-LURJTMIESA-N 0 0 140.186 1.147 10 0 ADAERN CC(C)[C@H](C)n1cc[nH]c1=O 231935688 344665701 /nfs/dbraw/zinc/66/57/01/344665701.db2.gz VHMZMNJXZHBSFY-ZETCQYMHSA-N 0 0 154.213 1.393 10 0 ADAERN O=c1[nH]ccn1C[C@H]1CC=CCC1 231937259 344665717 /nfs/dbraw/zinc/66/57/17/344665717.db2.gz ISPPMPDFYYILFW-VIFPVBQESA-N 0 0 178.235 1.533 10 0 ADAERN CC(C)(C)Cn1cc[nH]c1=O 231936795 344665718 /nfs/dbraw/zinc/66/57/18/344665718.db2.gz AKOVMDDDLIDQEF-UHFFFAOYSA-N 0 0 154.213 1.223 10 0 ADAERN C[C@@H](c1ccco1)n1cc[nH]c1=O 231936538 344665722 /nfs/dbraw/zinc/66/57/22/344665722.db2.gz DRCKYRVBDYWFPO-ZETCQYMHSA-N 0 0 178.191 1.379 10 0 ADAERN O=c1[nH]ccn1-c1c(F)cccc1F 231936333 344665746 /nfs/dbraw/zinc/66/57/46/344665746.db2.gz QWKRVZIRHWBLAE-UHFFFAOYSA-N 0 0 196.156 1.444 10 0 ADAERN C[C@H]1CCC[C@H](n2cc[nH]c2=O)C1 231936488 344665749 /nfs/dbraw/zinc/66/57/49/344665749.db2.gz CNVXIVDGFNEZRC-IUCAKERBSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@H]1CCC[C@@H](n2cc[nH]c2=O)C1 231936483 344665755 /nfs/dbraw/zinc/66/57/55/344665755.db2.gz CNVXIVDGFNEZRC-DTWKUNHWSA-N 0 0 180.251 1.928 10 0 ADAERN O=c1[nH]ccn1CC1CCCCC1 231936464 344665757 /nfs/dbraw/zinc/66/57/57/344665757.db2.gz GIOFIBWDXLRLAZ-UHFFFAOYSA-N 0 0 180.251 1.757 10 0 ADAERN C[C@@H]1CCCC[C@@H]1n1cc[nH]c1=O 231935653 344665761 /nfs/dbraw/zinc/66/57/61/344665761.db2.gz BEWSYZKLUUNGPN-BDAKNGLRSA-N 0 0 180.251 1.928 10 0 ADAERN O=c1[nH]ccn1Cc1ccccc1F 231935540 344665790 /nfs/dbraw/zinc/66/57/90/344665790.db2.gz IDFXSVRQJAKFNR-UHFFFAOYSA-N 0 0 192.193 1.364 10 0 ADAERN CC1(n2cc[nH]c2=O)CCCCC1 231937459 344665791 /nfs/dbraw/zinc/66/57/91/344665791.db2.gz BYVOIOXWMLFWML-UHFFFAOYSA-N 0 0 180.251 1.856 10 0 ADAERN C[C@H]1CCCC[C@@H]1n1cc[nH]c1=O 231935654 344665794 /nfs/dbraw/zinc/66/57/94/344665794.db2.gz BEWSYZKLUUNGPN-IUCAKERBSA-N 0 0 180.251 1.928 10 0 ADAERN O=c1[nH]ccn1-c1cc(F)ccc1F 231936028 344665798 /nfs/dbraw/zinc/66/57/98/344665798.db2.gz XTDXNHDIHHFAGW-UHFFFAOYSA-N 0 0 196.156 1.444 10 0 ADAERN C[C@@H](c1cccs1)n1cc[nH]c1=O 231936564 344665816 /nfs/dbraw/zinc/66/58/16/344665816.db2.gz GRZKQODIZPIGHW-ZETCQYMHSA-N 0 0 194.259 1.847 10 0 ADAERN Cc1ccc(Cn2cc[nH]c2=O)s1 231937790 344665826 /nfs/dbraw/zinc/66/58/26/344665826.db2.gz QSRAWXYDMAQWTD-UHFFFAOYSA-N 0 0 194.259 1.595 10 0 ADAERN CC1(C)C[C@@H]1n1cc[nH]c1=O 231937211 344665832 /nfs/dbraw/zinc/66/58/32/344665832.db2.gz JAYVRQGURDWFPL-LURJTMIESA-N 0 0 152.197 1.147 10 0 ADAERN C[C@@H](C1CC1)n1cc[nH]c1=O 231936542 344665835 /nfs/dbraw/zinc/66/58/35/344665835.db2.gz ZENQZCBCJFACJO-LURJTMIESA-N 0 0 152.197 1.147 10 0 ADAERN CC[C@@H](C)n1cc[nH]c1=O 231935509 344665839 /nfs/dbraw/zinc/66/58/39/344665839.db2.gz AXIMKNGKTFQAIO-ZCFIWIBFSA-N 0 0 140.186 1.147 10 0 ADAERN O=c1[nH]ccn1Cc1cccs1 231936409 344665843 /nfs/dbraw/zinc/66/58/43/344665843.db2.gz UHNRVPKFECCWGJ-UHFFFAOYSA-N 0 0 180.232 1.286 10 0 ADAERN CC(C)[C@@H](C)n1cc[nH]c1=O 231935685 344665848 /nfs/dbraw/zinc/66/58/48/344665848.db2.gz VHMZMNJXZHBSFY-SSDOTTSWSA-N 0 0 154.213 1.393 10 0 ADAERN O=c1[nH]ccn1CC1CCCC1 231936475 344665849 /nfs/dbraw/zinc/66/58/49/344665849.db2.gz DWNOXWKXGLBKAN-UHFFFAOYSA-N 0 0 166.224 1.367 10 0 ADAERN C[C@H](C1CC1)n1cc[nH]c1=O 231936545 344665853 /nfs/dbraw/zinc/66/58/53/344665853.db2.gz ZENQZCBCJFACJO-ZCFIWIBFSA-N 0 0 152.197 1.147 10 0 ADAERN O=c1[nH]ccn1C[C@@H]1CC=CCC1 231937258 344665859 /nfs/dbraw/zinc/66/58/59/344665859.db2.gz ISPPMPDFYYILFW-SECBINFHSA-N 0 0 178.235 1.533 10 0 ADAERN C[C@@H]1CCCC[C@H]1n1cc[nH]c1=O 231935657 344665860 /nfs/dbraw/zinc/66/58/60/344665860.db2.gz BEWSYZKLUUNGPN-RKDXNWHRSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@@H]1CCC[C@@H](n2cc[nH]c2=O)C1 231936481 344665865 /nfs/dbraw/zinc/66/58/65/344665865.db2.gz CNVXIVDGFNEZRC-RKDXNWHRSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@@H](C1CCCC1)n1cc[nH]c1=O 231938308 344666019 /nfs/dbraw/zinc/66/60/19/344666019.db2.gz KXWSGYUWOWYBAT-QMMMGPOBSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@@H]1CC[C@@H](n2cc[nH]c2=O)[C@@H]1C 231938683 344666037 /nfs/dbraw/zinc/66/60/37/344666037.db2.gz VMZBHBOYITYKEB-IWSPIJDZSA-N 0 0 180.251 1.784 10 0 ADAERN O=c1[nH]ccn1C[C@@H]1CCCCS1 231939066 344666040 /nfs/dbraw/zinc/66/60/40/344666040.db2.gz GBKKWLMIJGXTEW-QMMMGPOBSA-N 0 0 198.291 1.462 10 0 ADAERN O=c1[nH]ccn1C[C@H]1CCCS1 231938976 344666051 /nfs/dbraw/zinc/66/60/51/344666051.db2.gz NRQUFDDGTANCOJ-SSDOTTSWSA-N 0 0 184.264 1.072 10 0 ADAERN C[C@H](C1CCCC1)n1cc[nH]c1=O 231938309 344666054 /nfs/dbraw/zinc/66/60/54/344666054.db2.gz KXWSGYUWOWYBAT-MRVPVSSYSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@@H](c1ccsc1)n1cc[nH]c1=O 231937939 344666084 /nfs/dbraw/zinc/66/60/84/344666084.db2.gz WTDLZKDOMQRQLG-ZETCQYMHSA-N 0 0 194.259 1.847 10 0 ADAERN C[C@H]1CCC[C@H]1n1cc[nH]c1=O 231938236 344666090 /nfs/dbraw/zinc/66/60/90/344666090.db2.gz GCHWVLNIYDRZNF-JGVFFNPUSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@@H]1CCC[C@H]1n1cc[nH]c1=O 231938234 344666096 /nfs/dbraw/zinc/66/60/96/344666096.db2.gz GCHWVLNIYDRZNF-HTQZYQBOSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@@H](c1nccs1)n1cc[nH]c1=O 231938547 344666098 /nfs/dbraw/zinc/66/60/98/344666098.db2.gz WKCCNSXDPXHWDU-LURJTMIESA-N 0 0 195.247 1.242 10 0 ADAERN CC[C@H](C)Cn1cc[nH]c1=O 231937872 344666113 /nfs/dbraw/zinc/66/61/13/344666113.db2.gz UCEOYHNUDLCDPN-ZETCQYMHSA-N 0 0 154.213 1.223 10 0 ADAERN O=c1[nH]ccn1Cc1ccsc1 231938122 344666120 /nfs/dbraw/zinc/66/61/20/344666120.db2.gz ICTFWMGOSBNWSW-UHFFFAOYSA-N 0 0 180.232 1.286 10 0 ADAERN CC1(n2cc[nH]c2=O)CCCC1 231938631 344666166 /nfs/dbraw/zinc/66/61/66/344666166.db2.gz YCGNIROFNDIIFJ-UHFFFAOYSA-N 0 0 166.224 1.466 10 0 ADAERN CC1(C)C(n2cc[nH]c2=O)C1(C)C 231938939 344666185 /nfs/dbraw/zinc/66/61/85/344666185.db2.gz YZVYHKBMYSSXOP-UHFFFAOYSA-N 0 0 180.251 1.784 10 0 ADAERN O=c1[nH]ccn1C[C@H]1CCCCS1 231939069 344666188 /nfs/dbraw/zinc/66/61/88/344666188.db2.gz GBKKWLMIJGXTEW-MRVPVSSYSA-N 0 0 198.291 1.462 10 0 ADAERN Cc1ccsc1Cn1cc[nH]c1=O 231939196 344666194 /nfs/dbraw/zinc/66/61/94/344666194.db2.gz WERBONPLJCYOBO-UHFFFAOYSA-N 0 0 194.259 1.595 10 0 ADAERN C[C@@]1(Cn2cc[nH]c2=O)CCCS1 231939243 344666208 /nfs/dbraw/zinc/66/62/08/344666208.db2.gz RVIBDZUCXUDPDG-VIFPVBQESA-N 0 0 198.291 1.462 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CC=CCC1 231938735 344666210 /nfs/dbraw/zinc/66/62/10/344666210.db2.gz JJLRVNRMUMTRFI-MRVPVSSYSA-N 0 0 164.208 1.458 10 0 ADAERN Cc1cscc1Cn1cc[nH]c1=O 231939139 344666227 /nfs/dbraw/zinc/66/62/27/344666227.db2.gz KSIHOMNZOXHRJB-UHFFFAOYSA-N 0 0 194.259 1.595 10 0 ADAERN O=c1[nH]ccn1-c1ccsc1 231938780 344666229 /nfs/dbraw/zinc/66/62/29/344666229.db2.gz KUXAFOUHMXIYEG-UHFFFAOYSA-N 0 0 166.205 1.227 10 0 ADAERN Cc1ccc(Cn2cc[nH]c2=O)o1 231937901 344666233 /nfs/dbraw/zinc/66/62/33/344666233.db2.gz ZMVCZVPDUJKLHB-UHFFFAOYSA-N 0 0 178.191 1.126 10 0 ADAERN CC1(C)CCC[C@@H]1n1cc[nH]c1=O 231938956 344666238 /nfs/dbraw/zinc/66/62/38/344666238.db2.gz YRZQWQPVFDDRON-QMMMGPOBSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@@H]1CCC[C@@H]1n1cc[nH]c1=O 231938228 344666244 /nfs/dbraw/zinc/66/62/44/344666244.db2.gz GCHWVLNIYDRZNF-SFYZADRCSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@]1(Cn2cc[nH]c2=O)CCCS1 231939246 344666249 /nfs/dbraw/zinc/66/62/49/344666249.db2.gz RVIBDZUCXUDPDG-SECBINFHSA-N 0 0 198.291 1.462 10 0 ADAERN C[C@@H]1CC[C@H](n2cc[nH]c2=O)[C@@H]1C 231938685 344666253 /nfs/dbraw/zinc/66/62/53/344666253.db2.gz VMZBHBOYITYKEB-HLTSFMKQSA-N 0 0 180.251 1.784 10 0 ADAERN O=c1[nH]ccn1C[C@@H]1CCCS1 231938973 344666255 /nfs/dbraw/zinc/66/62/55/344666255.db2.gz NRQUFDDGTANCOJ-ZETCQYMHSA-N 0 0 184.264 1.072 10 0 ADAERN CC1(C)CCC[C@H]1n1cc[nH]c1=O 231938958 344666277 /nfs/dbraw/zinc/66/62/77/344666277.db2.gz YRZQWQPVFDDRON-MRVPVSSYSA-N 0 0 180.251 1.928 10 0 ADAERN CC1(Cn2cc[nH]c2=O)CCCC1 231938151 344666279 /nfs/dbraw/zinc/66/62/79/344666279.db2.gz IGNVYOVUJDHEAR-UHFFFAOYSA-N 0 0 180.251 1.757 10 0 ADAERN CC[C@@H](C)Cn1cc[nH]c1=O 231937870 344666282 /nfs/dbraw/zinc/66/62/82/344666282.db2.gz UCEOYHNUDLCDPN-SSDOTTSWSA-N 0 0 154.213 1.223 10 0 ADAERN C[C@H](c1ccsc1)n1cc[nH]c1=O 231937942 344666291 /nfs/dbraw/zinc/66/62/91/344666291.db2.gz WTDLZKDOMQRQLG-SSDOTTSWSA-N 0 0 194.259 1.847 10 0 ADAERN C[C@H](c1nccs1)n1cc[nH]c1=O 231938550 344666296 /nfs/dbraw/zinc/66/62/96/344666296.db2.gz WKCCNSXDPXHWDU-ZCFIWIBFSA-N 0 0 195.247 1.242 10 0 ADAERN CC1(C)CC[C@H](n2cc[nH]c2=O)C1 231940586 344666507 /nfs/dbraw/zinc/66/65/07/344666507.db2.gz SOYRHRAUQSBBND-QMMMGPOBSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@H]1CC[C@H](n2cc[nH]c2=O)C1 231940563 344666652 /nfs/dbraw/zinc/66/66/52/344666652.db2.gz RTUPDKCRSFRPGE-YUMQZZPRSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@@H]1CC[C@@H](n2cc[nH]c2=O)C1 231940554 344666466 /nfs/dbraw/zinc/66/64/66/344666466.db2.gz RTUPDKCRSFRPGE-HTQZYQBOSA-N 0 0 166.224 1.538 10 0 ADAERN CC1(n2cc[nH]c2=O)CCC1 231940186 344666489 /nfs/dbraw/zinc/66/64/89/344666489.db2.gz AJESCLQPIRUUAB-UHFFFAOYSA-N 0 0 152.197 1.076 10 0 ADAERN CC1(C)C[C@@H](n2cc[nH]c2=O)CCO1 231939479 344666494 /nfs/dbraw/zinc/66/64/94/344666494.db2.gz BDMXGABVTZWTNJ-QMMMGPOBSA-N 0 0 196.250 1.307 10 0 ADAERN C[C@@H](n1cc[nH]c1=O)C(C)(C)C 231939941 344666509 /nfs/dbraw/zinc/66/65/09/344666509.db2.gz OZFDJEORYJAXQQ-SSDOTTSWSA-N 0 0 168.240 1.784 10 0 ADAERN CC1(C)C[C@H](n2cc[nH]c2=O)CCO1 231939481 344666517 /nfs/dbraw/zinc/66/65/17/344666517.db2.gz BDMXGABVTZWTNJ-MRVPVSSYSA-N 0 0 196.250 1.307 10 0 ADAERN O=c1[nH]ccn1C1CCSCC1 231940379 344666542 /nfs/dbraw/zinc/66/65/42/344666542.db2.gz IAZXPBZARFKTKL-UHFFFAOYSA-N 0 0 184.264 1.245 10 0 ADAERN O=c1[nH]ccn1CC1CCSCC1 231940229 344666554 /nfs/dbraw/zinc/66/65/54/344666554.db2.gz GLAWBOINZNTREW-UHFFFAOYSA-N 0 0 198.291 1.320 10 0 ADAERN C[C@H]1CC[C@@H](n2cc[nH]c2=O)C1 231940558 344666580 /nfs/dbraw/zinc/66/65/80/344666580.db2.gz RTUPDKCRSFRPGE-JGVFFNPUSA-N 0 0 166.224 1.538 10 0 ADAERN C/C=C/CCn1cc[nH]c1=O 231939999 344666588 /nfs/dbraw/zinc/66/65/88/344666588.db2.gz GCHYYEWPSIYEPP-NSCUHMNNSA-N 0 0 152.197 1.143 10 0 ADAERN CSC[C@@H](C)n1cc[nH]c1=O 231940052 344666591 /nfs/dbraw/zinc/66/65/91/344666591.db2.gz SSFJDMHMLBIXEH-ZCFIWIBFSA-N 0 0 172.253 1.100 10 0 ADAERN CCC1(n2cc[nH]c2=O)CCC1 231940238 344666599 /nfs/dbraw/zinc/66/65/99/344666599.db2.gz KZVSYBPSCUORAF-UHFFFAOYSA-N 0 0 166.224 1.466 10 0 ADAERN O=c1[nH]ccn1[C@H]1CCCSC1 231940374 344666610 /nfs/dbraw/zinc/66/66/10/344666610.db2.gz YYPVGGILGDLUCL-ZETCQYMHSA-N 0 0 184.264 1.245 10 0 ADAERN CSC[C@H](C)n1cc[nH]c1=O 231940055 344666629 /nfs/dbraw/zinc/66/66/29/344666629.db2.gz SSFJDMHMLBIXEH-LURJTMIESA-N 0 0 172.253 1.100 10 0 ADAERN CC1(C)CC[C@@H](n2cc[nH]c2=O)C1 231940583 344666635 /nfs/dbraw/zinc/66/66/35/344666635.db2.gz SOYRHRAUQSBBND-MRVPVSSYSA-N 0 0 180.251 1.928 10 0 ADAERN C[C@@H](C1CCC1)n1cc[nH]c1=O 231940392 344666643 /nfs/dbraw/zinc/66/66/43/344666643.db2.gz ROUVWPAEBODOHE-ZETCQYMHSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@H](n1cc[nH]c1=O)C(C)(C)C 231939945 344666664 /nfs/dbraw/zinc/66/66/64/344666664.db2.gz OZFDJEORYJAXQQ-ZETCQYMHSA-N 0 0 168.240 1.784 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CCCSC1 231940372 344666677 /nfs/dbraw/zinc/66/66/77/344666677.db2.gz YYPVGGILGDLUCL-SSDOTTSWSA-N 0 0 184.264 1.245 10 0 ADAERN C[C@@H]1CC[C@H](n2cc[nH]c2=O)C1 231940559 344666684 /nfs/dbraw/zinc/66/66/84/344666684.db2.gz RTUPDKCRSFRPGE-SFYZADRCSA-N 0 0 166.224 1.538 10 0 ADAERN O=c1[nH]ccn1C1CC=CC1 231940070 344666696 /nfs/dbraw/zinc/66/66/96/344666696.db2.gz DUZGYCSDXHMSQQ-UHFFFAOYSA-N 0 0 150.181 1.068 10 0 ADAERN C[C@H](C1CCC1)n1cc[nH]c1=O 231940395 344666711 /nfs/dbraw/zinc/66/67/11/344666711.db2.gz ROUVWPAEBODOHE-SSDOTTSWSA-N 0 0 166.224 1.538 10 0 ADAERN CC[C@H](NN)c1cnn2ccccc12 231962382 344666949 /nfs/dbraw/zinc/66/69/49/344666949.db2.gz DBWLXSOJDVKDPF-VIFPVBQESA-N 0 0 190.250 1.249 10 0 ADAERN CC[C@H]1CC[C@@](O)(c2ccn(C)n2)C1 231967603 344666990 /nfs/dbraw/zinc/66/69/90/344666990.db2.gz XNHUQOVZMNBADI-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@@H]1CC[C@@](O)(c2ccn(C)n2)C1 231967600 344667101 /nfs/dbraw/zinc/66/71/01/344667101.db2.gz XNHUQOVZMNBADI-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN CCC[C@H](O)c1cnn2ccncc12 231957468 344667117 /nfs/dbraw/zinc/66/71/17/344667117.db2.gz MIYWWRPOWKHDPE-JTQLQIEISA-N 0 0 191.234 1.563 10 0 ADAERN Cn1ccc([C@]2(O)CCC(C)(C)C2)n1 231968167 344667163 /nfs/dbraw/zinc/66/71/63/344667163.db2.gz DBCPFEWEQOKFMY-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@@H]1CC[C@](O)(c2ccn(C)n2)C1 231967605 344667221 /nfs/dbraw/zinc/66/72/21/344667221.db2.gz XNHUQOVZMNBADI-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN CCC[C@@H](O)c1cnn2ccncc12 231957466 344667250 /nfs/dbraw/zinc/66/72/50/344667250.db2.gz MIYWWRPOWKHDPE-SNVBAGLBSA-N 0 0 191.234 1.563 10 0 ADAERN CC[C@@H](NN)c1cnn2ccccc12 231962381 344667265 /nfs/dbraw/zinc/66/72/65/344667265.db2.gz DBWLXSOJDVKDPF-SECBINFHSA-N 0 0 190.250 1.249 10 0 ADAERN Cn1ccc([C@@]2(O)CCC(C)(C)C2)n1 231968165 344667283 /nfs/dbraw/zinc/66/72/83/344667283.db2.gz DBCPFEWEQOKFMY-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN Cn1ccc(C(=O)c2cncs2)n1 231969741 344667462 /nfs/dbraw/zinc/66/74/62/344667462.db2.gz VKVIURHBIDKQMH-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN Cn1ccc(C(=O)C(F)(F)Cl)n1 231969906 344667486 /nfs/dbraw/zinc/66/74/86/344667486.db2.gz SWVLJCKWDCHBMJ-UHFFFAOYSA-N 0 0 194.568 1.434 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1ccn(C)n1 231969385 344667512 /nfs/dbraw/zinc/66/75/12/344667512.db2.gz IWJVGIGECAYYBO-RQJHMYQMSA-N 0 0 164.208 1.259 10 0 ADAERN Cc1occc1[C@@H](O)c1ccn(C)n1 231971270 344667530 /nfs/dbraw/zinc/66/75/30/344667530.db2.gz FATCIVANDZMFQC-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN Cn1ccc([C@](C)(O)CC2CCC2)n1 231968824 344667540 /nfs/dbraw/zinc/66/75/40/344667540.db2.gz FXTCEFNGYKYZSS-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1ccn(C)n1 231969390 344667544 /nfs/dbraw/zinc/66/75/44/344667544.db2.gz IWJVGIGECAYYBO-RNFRBKRXSA-N 0 0 164.208 1.259 10 0 ADAERN Cc1ccoc1[C@@H](O)c1ccn(C)n1 231968814 344667556 /nfs/dbraw/zinc/66/75/56/344667556.db2.gz IZNVFLCPJXFMLR-VIFPVBQESA-N 0 0 192.218 1.403 10 0 ADAERN Cn1ccc(C(=O)C[C@@H]2CCOC2)n1 231969925 344667593 /nfs/dbraw/zinc/66/75/93/344667593.db2.gz ADUVRNIOQAZGHF-QMMMGPOBSA-N 0 0 194.234 1.029 10 0 ADAERN Cc1occc1[C@H](O)c1ccn(C)n1 231971273 344667595 /nfs/dbraw/zinc/66/75/95/344667595.db2.gz FATCIVANDZMFQC-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN Cn1ccc(C(=O)[C@@H]2CCCS2)n1 231969752 344667600 /nfs/dbraw/zinc/66/76/00/344667600.db2.gz WEPGZADNQNLBBA-QMMMGPOBSA-N 0 0 196.275 1.498 10 0 ADAERN Cn1ccc([C@@H](O)C2(C)CC2)n1 231971011 344667608 /nfs/dbraw/zinc/66/76/08/344667608.db2.gz RQMZHLGVJFEYDE-MRVPVSSYSA-N 0 0 166.224 1.254 10 0 ADAERN Cc1ccoc1[C@H](O)c1ccn(C)n1 231968818 344667635 /nfs/dbraw/zinc/66/76/35/344667635.db2.gz IZNVFLCPJXFMLR-SECBINFHSA-N 0 0 192.218 1.403 10 0 ADAERN Cn1ccc([C@@](C)(O)CC2CCC2)n1 231968821 344667651 /nfs/dbraw/zinc/66/76/51/344667651.db2.gz FXTCEFNGYKYZSS-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN Cn1ccc(C(=O)C2(C)CC2)n1 231969738 344667690 /nfs/dbraw/zinc/66/76/90/344667690.db2.gz DTBTXSCZDSEFLT-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN Cn1ccc([C@H](O)C2(C)CC2)n1 231971012 344667715 /nfs/dbraw/zinc/66/77/15/344667715.db2.gz RQMZHLGVJFEYDE-QMMMGPOBSA-N 0 0 166.224 1.254 10 0 ADAERN C[C@@H]1CC[C@@H](CCCO)O1 231978850 344668324 /nfs/dbraw/zinc/66/83/24/344668324.db2.gz FHIPKRAAPVUVPH-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN Cn1ccc(C(=O)[C@H]2CCCS2)n1 231969755 344667732 /nfs/dbraw/zinc/66/77/32/344667732.db2.gz WEPGZADNQNLBBA-MRVPVSSYSA-N 0 0 196.275 1.498 10 0 ADAERN Cn1ccc(C(=O)c2cscn2)n1 231969743 344667748 /nfs/dbraw/zinc/66/77/48/344667748.db2.gz OYWFVWJLHDXXJE-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1ccn(C)n1 231969388 344667753 /nfs/dbraw/zinc/66/77/53/344667753.db2.gz IWJVGIGECAYYBO-BQBZGAKWSA-N 0 0 164.208 1.259 10 0 ADAERN Cn1ccc(C(=O)C[C@H]2CCOC2)n1 231969927 344667768 /nfs/dbraw/zinc/66/77/68/344667768.db2.gz ADUVRNIOQAZGHF-MRVPVSSYSA-N 0 0 194.234 1.029 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)c1ccn(C)n1 231970605 344667781 /nfs/dbraw/zinc/66/77/81/344667781.db2.gz AXJDNCNFGSOIHK-BKPPORCPSA-N 0 0 166.224 1.110 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1ccn(C)n1 231969431 344667840 /nfs/dbraw/zinc/66/78/40/344667840.db2.gz IWJVGIGECAYYBO-NKWVEPMBSA-N 0 0 164.208 1.259 10 0 ADAERN CC(C)C1CC2(CC(=O)N2)C1 232570303 344683788 /nfs/dbraw/zinc/68/37/88/344683788.db2.gz OLGUXLWCSLQSDJ-UHFFFAOYSA-N 0 0 153.225 1.311 10 0 ADAERN Cn1ccc([C@@H]2CCC(=O)C2)n1 231980064 344668008 /nfs/dbraw/zinc/66/80/08/344668008.db2.gz SHTADSNGCDGJMW-SSDOTTSWSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1ccc(-c2ccc(N)cc2F)n1 231978038 344668013 /nfs/dbraw/zinc/66/80/13/344668013.db2.gz GFEBFCSQRLCEJC-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1ccn(C)n1 231980104 344668020 /nfs/dbraw/zinc/66/80/20/344668020.db2.gz ZWLMDAKYAXNPLT-SFYZADRCSA-N 0 0 178.235 1.503 10 0 ADAERN C[C@H]1CC[C@H](Cc2cnc(N)s2)O1 231980050 344668028 /nfs/dbraw/zinc/66/80/28/344668028.db2.gz ZDLLNAOHSDRXLR-NKWVEPMBSA-N 0 0 198.291 1.835 10 0 ADAERN Cn1ccc([C@@]2(C)CCC(=O)C2)n1 231980121 344668044 /nfs/dbraw/zinc/66/80/44/344668044.db2.gz PCOIWCFSZOHMQE-JTQLQIEISA-N 0 0 178.235 1.431 10 0 ADAERN C[C@H]1CC[C@@H](CCCO)O1 231978853 344668047 /nfs/dbraw/zinc/66/80/47/344668047.db2.gz FHIPKRAAPVUVPH-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN C[C@H]1CC[C@H](CCCO)O1 231978860 344668054 /nfs/dbraw/zinc/66/80/54/344668054.db2.gz FHIPKRAAPVUVPH-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN Cn1ccc(-c2ccccc2C=O)n1 231978147 344668061 /nfs/dbraw/zinc/66/80/61/344668061.db2.gz JMLZNXFKXFFLQS-UHFFFAOYSA-N 0 0 186.214 1.900 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1ccn(C)n1 231980109 344668067 /nfs/dbraw/zinc/66/80/67/344668067.db2.gz ZWLMDAKYAXNPLT-HTQZYQBOSA-N 0 0 178.235 1.503 10 0 ADAERN Cc1ccc(N)c(-c2ccn(C)n2)c1 231977996 344668080 /nfs/dbraw/zinc/66/80/80/344668080.db2.gz JCBHVXAGJXFXEN-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ccc([C@@H]2CCCC2=O)n1 231978914 344668082 /nfs/dbraw/zinc/66/80/82/344668082.db2.gz IHKXHNJQMSNEGB-ZETCQYMHSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1ccc(-c2cnc(N)s2)n1 231977993 344668093 /nfs/dbraw/zinc/66/80/93/344668093.db2.gz WSHCYELFOPKIOR-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1ccc([C@H]2CCCC2=O)n1 231978916 344668101 /nfs/dbraw/zinc/66/81/01/344668101.db2.gz IHKXHNJQMSNEGB-SSDOTTSWSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1ccc([C@@H]2CCCC(=O)C2)n1 231980059 344668109 /nfs/dbraw/zinc/66/81/09/344668109.db2.gz UQADRTUEDAENIE-MRVPVSSYSA-N 0 0 178.235 1.647 10 0 ADAERN C[C@H]1CC[C@@H](Cc2cnc(N)s2)O1 231980044 344668111 /nfs/dbraw/zinc/66/81/11/344668111.db2.gz ZDLLNAOHSDRXLR-BQBZGAKWSA-N 0 0 198.291 1.835 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1ccn(C)n1 231980101 344668130 /nfs/dbraw/zinc/66/81/30/344668130.db2.gz ZWLMDAKYAXNPLT-YUMQZZPRSA-N 0 0 178.235 1.503 10 0 ADAERN Cn1ccc([C@H]2CCC(=O)C2)n1 231980067 344668134 /nfs/dbraw/zinc/66/81/34/344668134.db2.gz SHTADSNGCDGJMW-ZETCQYMHSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1ccc([C@H]2CCCCC2=O)n1 231978900 344668141 /nfs/dbraw/zinc/66/81/41/344668141.db2.gz XIFKQIJBQWVWMY-MRVPVSSYSA-N 0 0 178.235 1.647 10 0 ADAERN Cn1ccc(-c2ccc(N)nc2)n1 231978102 344668157 /nfs/dbraw/zinc/66/81/57/344668157.db2.gz OVPQPHYEMMTXCX-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN C[C@@H]1CC[C@H](CCCO)O1 231978856 344668162 /nfs/dbraw/zinc/66/81/62/344668162.db2.gz FHIPKRAAPVUVPH-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1ccc(N)cc1-c1ccn(C)n1 231978054 344668189 /nfs/dbraw/zinc/66/81/89/344668189.db2.gz VYWDBOISEHBJGE-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cn1ccc(-c2cc(F)ccc2N)n1 231977965 344668281 /nfs/dbraw/zinc/66/82/81/344668281.db2.gz BIMRYMMYMZGVIH-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Cn1ccc([C@H]2CCCC(=O)C2)n1 231980061 344668284 /nfs/dbraw/zinc/66/82/84/344668284.db2.gz UQADRTUEDAENIE-QMMMGPOBSA-N 0 0 178.235 1.647 10 0 ADAERN Cn1ccc([C@@H]2CCCCC2=O)n1 231978898 344668291 /nfs/dbraw/zinc/66/82/91/344668291.db2.gz XIFKQIJBQWVWMY-QMMMGPOBSA-N 0 0 178.235 1.647 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1c1ccn(C)n1 231980106 344668295 /nfs/dbraw/zinc/66/82/95/344668295.db2.gz ZWLMDAKYAXNPLT-JGVFFNPUSA-N 0 0 178.235 1.503 10 0 ADAERN C[C@@H]1CC[C@@H](Cc2cnc(N)s2)O1 231980042 344668346 /nfs/dbraw/zinc/66/83/46/344668346.db2.gz ZDLLNAOHSDRXLR-RQJHMYQMSA-N 0 0 198.291 1.835 10 0 ADAERN C[C@@H]1CC[C@H](Cc2cnc(N)s2)O1 231980047 344668349 /nfs/dbraw/zinc/66/83/49/344668349.db2.gz ZDLLNAOHSDRXLR-RNFRBKRXSA-N 0 0 198.291 1.835 10 0 ADAERN Cn1ccc(-c2nccnc2Cl)n1 231982580 344668628 /nfs/dbraw/zinc/66/86/28/344668628.db2.gz MHLHSCWTTGHGPZ-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1ccc(-c2cc(O)cc(F)c2)n1 231989536 344668634 /nfs/dbraw/zinc/66/86/34/344668634.db2.gz FAEUNWSOSTZGFV-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN Cn1ccc(-c2ccc(O)cn2)n1 231989511 344668636 /nfs/dbraw/zinc/66/86/36/344668636.db2.gz GCEMZENBFROKGG-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1ccc(-c2ncccc2O)n1 231989407 344668641 /nfs/dbraw/zinc/66/86/41/344668641.db2.gz BYYBMSJKRJKNSZ-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1ccc([C@H]2CCC[C@H](O)C2)n1 231981418 344668675 /nfs/dbraw/zinc/66/86/75/344668675.db2.gz WRBWRBVNXCKWOT-IUCAKERBSA-N 0 0 180.251 1.439 10 0 ADAERN Cn1ccc([C@]2(C)CC[C@H](O)C2)n1 231981682 344668676 /nfs/dbraw/zinc/66/86/76/344668676.db2.gz HQOMTPGARSMAHK-WCBMZHEXSA-N 0 0 180.251 1.223 10 0 ADAERN Cn1ccc([C@@]2(C)CC[C@H](O)C2)n1 231981678 344668749 /nfs/dbraw/zinc/66/87/49/344668749.db2.gz HQOMTPGARSMAHK-WPRPVWTQSA-N 0 0 180.251 1.223 10 0 ADAERN C[C@@H]1CC[C@@H](CC(N)=S)O1 232000386 344669102 /nfs/dbraw/zinc/66/91/02/344669102.db2.gz VSJOJNLQVGZIOR-RITPCOANSA-N 0 0 159.254 1.230 10 0 ADAERN Cc1ccc(C(=O)c2ccn(C)n2)o1 231997858 344669114 /nfs/dbraw/zinc/66/91/14/344669114.db2.gz FKPLPQMRDXYBKA-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN Cn1ccc(C(=O)[C@H]2CCSC2)n1 231998050 344669163 /nfs/dbraw/zinc/66/91/63/344669163.db2.gz HJTNHZSLDBHCSB-ZETCQYMHSA-N 0 0 196.275 1.356 10 0 ADAERN C[C@@H]1CC[C@H](CC(N)=S)O1 232000392 344669171 /nfs/dbraw/zinc/66/91/71/344669171.db2.gz VSJOJNLQVGZIOR-PHDIDXHHSA-N 0 0 159.254 1.230 10 0 ADAERN C[C@H]1CC[C@@H](CC(N)=S)O1 232000389 344669215 /nfs/dbraw/zinc/66/92/15/344669215.db2.gz VSJOJNLQVGZIOR-WDSKDSINSA-N 0 0 159.254 1.230 10 0 ADAERN C[C@@H]1CC[C@@H](Cn2ccc(N)n2)O1 232000632 344669237 /nfs/dbraw/zinc/66/92/37/344669237.db2.gz ORFFBIRUEWGNRO-SFYZADRCSA-N 0 0 181.239 1.033 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1ccn(C)n1 231998974 344669251 /nfs/dbraw/zinc/66/92/51/344669251.db2.gz SFYAVMODBMYGEW-XVKPBYJWSA-N 0 0 194.234 1.028 10 0 ADAERN C[C@H]1CC[C@H](CC(N)=S)O1 232000394 344669258 /nfs/dbraw/zinc/66/92/58/344669258.db2.gz VSJOJNLQVGZIOR-NTSWFWBYSA-N 0 0 159.254 1.230 10 0 ADAERN C[C@H]1CC[C@@H](Cn2ccc(N)n2)O1 232000633 344669262 /nfs/dbraw/zinc/66/92/62/344669262.db2.gz ORFFBIRUEWGNRO-YUMQZZPRSA-N 0 0 181.239 1.033 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1ccn(C)n1 231998971 344669265 /nfs/dbraw/zinc/66/92/65/344669265.db2.gz SFYAVMODBMYGEW-XCBNKYQSSA-N 0 0 194.234 1.028 10 0 ADAERN C[C@H]1CC[C@H](Cn2ccc(N)n2)O1 232000639 344669274 /nfs/dbraw/zinc/66/92/74/344669274.db2.gz ORFFBIRUEWGNRO-JGVFFNPUSA-N 0 0 181.239 1.033 10 0 ADAERN C/C(=C/Cl)Cn1cccc(N)c1=O 232003086 344669493 /nfs/dbraw/zinc/66/94/93/344669493.db2.gz FIMIJTZLWHDTCJ-ALCCZGGFSA-N 0 0 198.653 1.573 10 0 ADAERN C/C(=C/Cl)Cn1ccc(N)n1 232003056 344669528 /nfs/dbraw/zinc/66/95/28/344669528.db2.gz HUIXIMQCNAGHMN-XQRVVYSFSA-N 0 0 171.631 1.608 10 0 ADAERN C/C(=C/Cl)Cn1cc(C)c(N)n1 232003159 344669532 /nfs/dbraw/zinc/66/95/32/344669532.db2.gz RUSAWQLZPWHMMG-UTCJRWHESA-N 0 0 185.658 1.916 10 0 ADAERN C/C(=C\Cl)CN1CCC(=O)CC1 232003532 344669556 /nfs/dbraw/zinc/66/95/56/344669556.db2.gz ZSFFWQSKCIWNDX-SOFGYWHQSA-N 0 0 187.670 1.794 10 0 ADAERN C/C(=C\Cl)CN1CCCC(=O)C1 232003644 344669603 /nfs/dbraw/zinc/66/96/03/344669603.db2.gz LRLLCXSRJBFIRS-VMPITWQZSA-N 0 0 187.670 1.794 10 0 ADAERN C/C(=C/Cl)Cn1cc(N)cn1 232003006 344669632 /nfs/dbraw/zinc/66/96/32/344669632.db2.gz YGTJMLKCAHMMEV-KXFIGUGUSA-N 0 0 171.631 1.608 10 0 ADAERN C/C(=C/Cl)Cn1ccc(=O)c(N)c1 232003188 344669820 /nfs/dbraw/zinc/66/98/20/344669820.db2.gz DREJQVKURUXLEX-DAXSKMNVSA-N 0 0 198.653 1.573 10 0 ADAERN CN(C)c1ccc(N)c2ccncc12 232023668 344669997 /nfs/dbraw/zinc/66/99/97/344669997.db2.gz LORNCUIUAYABMV-UHFFFAOYSA-N 0 0 187.246 1.883 10 0 ADAERN C[C@H]1CC[C@H](Cn2ccc(CO)c2)O1 232018962 344670000 /nfs/dbraw/zinc/67/00/00/344670000.db2.gz AHXMZJOALIRRJW-GXSJLCMTSA-N 0 0 195.262 1.548 10 0 ADAERN C[C@@H]1CC[C@@H](Cn2ccc(CO)c2)O1 232018954 344670009 /nfs/dbraw/zinc/67/00/09/344670009.db2.gz AHXMZJOALIRRJW-KOLCDFICSA-N 0 0 195.262 1.548 10 0 ADAERN C[C@@H]1CC[C@H](Cn2ccc(CO)c2)O1 232018961 344670010 /nfs/dbraw/zinc/67/00/10/344670010.db2.gz AHXMZJOALIRRJW-MWLCHTKSSA-N 0 0 195.262 1.548 10 0 ADAERN C/C(=C\Cl)C[C@H]1CCNC1=O 232017035 344670023 /nfs/dbraw/zinc/67/00/23/344670023.db2.gz LIDSSHOKSHQEHN-WEWAHIQMSA-N 0 0 173.643 1.655 10 0 ADAERN C/C(=C\Cl)C[C@@H]1CCNC1=O 232017032 344670048 /nfs/dbraw/zinc/67/00/48/344670048.db2.gz LIDSSHOKSHQEHN-XPPMVYLVSA-N 0 0 173.643 1.655 10 0 ADAERN C[C@H](C1CC1)[C@H](O)c1ccn(C)n1 232038771 344670079 /nfs/dbraw/zinc/67/00/79/344670079.db2.gz WOTGRGKRUYZCMM-XCBNKYQSSA-N 0 0 180.251 1.500 10 0 ADAERN C[C@@H](C1CC1)[C@@H](O)c1ccn(C)n1 232038769 344670154 /nfs/dbraw/zinc/67/01/54/344670154.db2.gz WOTGRGKRUYZCMM-OIBJUYFYSA-N 0 0 180.251 1.500 10 0 ADAERN C[C@@H](C1CC1)[C@H](O)c1ccn(C)n1 232038773 344670163 /nfs/dbraw/zinc/67/01/63/344670163.db2.gz WOTGRGKRUYZCMM-XVKPBYJWSA-N 0 0 180.251 1.500 10 0 ADAERN C[C@H](C1CC1)[C@@H](O)c1ccn(C)n1 232038768 344670236 /nfs/dbraw/zinc/67/02/36/344670236.db2.gz WOTGRGKRUYZCMM-GMSGAONNSA-N 0 0 180.251 1.500 10 0 ADAERN C[C@H]1CC[C@@H](Cn2ccc(CO)c2)O1 232018958 344670247 /nfs/dbraw/zinc/67/02/47/344670247.db2.gz AHXMZJOALIRRJW-ONGXEEELSA-N 0 0 195.262 1.548 10 0 ADAERN Cc1cc([C@@H](O)c2ccn(C)n2)co1 232040174 344670521 /nfs/dbraw/zinc/67/05/21/344670521.db2.gz OMTLGZUUTLTSGP-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN C[C@@H](NN)c1cccc2ccncc12 232046325 344670573 /nfs/dbraw/zinc/67/05/73/344670573.db2.gz IZGIBRSBYQRYFN-MRVPVSSYSA-N 0 0 187.246 1.759 10 0 ADAERN CCC(C)(C)[C@H](O)c1ccn(C)n1 232040449 344670603 /nfs/dbraw/zinc/67/06/03/344670603.db2.gz PMQKMFHAFYSFKJ-SECBINFHSA-N 0 0 182.267 1.890 10 0 ADAERN NNCc1cccc2ccncc12 232047834 344670609 /nfs/dbraw/zinc/67/06/09/344670609.db2.gz DXBXFABKMHHSFH-UHFFFAOYSA-N 0 0 173.219 1.198 10 0 ADAERN Cc1cc(N)cc(-c2ccnn2C)c1 232054967 344670633 /nfs/dbraw/zinc/67/06/33/344670633.db2.gz YATYUCYXPNDGIQ-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C[C@@H]1CC[C@H](Cn2cccn2)O1 232048163 344670666 /nfs/dbraw/zinc/67/06/66/344670666.db2.gz BSNODJFCRXHYFF-RKDXNWHRSA-N 0 0 166.224 1.451 10 0 ADAERN CCC(C)(C)[C@@H](O)c1ccn(C)n1 232040447 344670688 /nfs/dbraw/zinc/67/06/88/344670688.db2.gz PMQKMFHAFYSFKJ-VIFPVBQESA-N 0 0 182.267 1.890 10 0 ADAERN CO[C@H](C)/C(C)=C/[C@H](C)O 232048162 344670691 /nfs/dbraw/zinc/67/06/91/344670691.db2.gz ZZKVSUKMLHKMFY-LXBADBFVSA-N 0 0 144.214 1.348 10 0 ADAERN C[C@@H]1CC[C@@H](Cn2cccn2)O1 232048158 344670720 /nfs/dbraw/zinc/67/07/20/344670720.db2.gz BSNODJFCRXHYFF-BDAKNGLRSA-N 0 0 166.224 1.451 10 0 ADAERN C[C@H]1CC[C@@H](Cn2cccn2)O1 232048161 344670723 /nfs/dbraw/zinc/67/07/23/344670723.db2.gz BSNODJFCRXHYFF-IUCAKERBSA-N 0 0 166.224 1.451 10 0 ADAERN C[C@H](NN)c1cccc2ccncc12 232046327 344670735 /nfs/dbraw/zinc/67/07/35/344670735.db2.gz IZGIBRSBYQRYFN-QMMMGPOBSA-N 0 0 187.246 1.759 10 0 ADAERN Cc1cc(N)cc(-c2ccn(C)n2)c1 232055481 344670774 /nfs/dbraw/zinc/67/07/74/344670774.db2.gz XUKYXBNLQSSYIU-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1cncc(NC[C@H]2CCCO2)c1 232073493 344670967 /nfs/dbraw/zinc/67/09/67/344670967.db2.gz VKSMWLSNEWEWSH-LLVKDONJSA-N 0 0 192.262 1.981 10 0 ADAERN Cc1cncc(-n2cc[nH]c2=S)c1 232079158 344671221 /nfs/dbraw/zinc/67/12/21/344671221.db2.gz HMZOCPMALHEZJM-UHFFFAOYSA-N 0 0 191.259 1.864 10 0 ADAERN C[C@@H]1C[C@H](Nc2cncnc2)CS1 232085068 344671537 /nfs/dbraw/zinc/67/15/37/344671537.db2.gz KZHSOGYDKUHGBD-SFYZADRCSA-N 0 0 195.291 1.783 10 0 ADAERN Cc1cncc(N2CCC(=O)C2)c1 232078295 344671257 /nfs/dbraw/zinc/67/12/57/344671257.db2.gz JAOSDFAWVOBNMD-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN Cc1cc(-n2cnnc2)c(C)cc1N 232074746 344671275 /nfs/dbraw/zinc/67/12/75/344671275.db2.gz MSXZDXIZJWRIGQ-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cncc(N2CN=NC2=S)c1 232079174 344671315 /nfs/dbraw/zinc/67/13/15/344671315.db2.gz ZBQAYENIMUVDOL-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN CC(=O)CC(=O)Nc1cncc(C)c1 232077882 344671432 /nfs/dbraw/zinc/67/14/32/344671432.db2.gz PKOUYENCJWAZRD-UHFFFAOYSA-N 0 0 192.218 1.308 10 0 ADAERN C[C@H]1C[C@H](Nc2cncnc2)CS1 232085070 344671567 /nfs/dbraw/zinc/67/15/67/344671567.db2.gz KZHSOGYDKUHGBD-YUMQZZPRSA-N 0 0 195.291 1.783 10 0 ADAERN C[C@H]1OCC[C@@H]1Nc1cncnc1 232086640 344671570 /nfs/dbraw/zinc/67/15/70/344671570.db2.gz NUWKSLDTIPHAFI-APPZFPTMSA-N 0 0 179.223 1.066 10 0 ADAERN CC1(C)[C@@H](Nc2cncnc2)C[C@H]1O 232085121 344671576 /nfs/dbraw/zinc/67/15/76/344671576.db2.gz FCZXZJQPDZFVKP-DTWKUNHWSA-N 0 0 193.250 1.048 10 0 ADAERN C[C@@H](Nc1cncnc1)C(F)F 232087159 344671578 /nfs/dbraw/zinc/67/15/78/344671578.db2.gz PGACYRPHFOSFGV-RXMQYKEDSA-N 0 0 173.166 1.542 10 0 ADAERN C[C@@H]1OCC[C@@H]1Nc1cncnc1 232086638 344671580 /nfs/dbraw/zinc/67/15/80/344671580.db2.gz NUWKSLDTIPHAFI-CBAPKCEASA-N 0 0 179.223 1.066 10 0 ADAERN Cc1cc(N)nn1-c1cccnc1 232083964 344671583 /nfs/dbraw/zinc/67/15/83/344671583.db2.gz HCQYSLRAPCOZFJ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN c1ncc(NCc2cc[nH]c2)cn1 232085040 344671589 /nfs/dbraw/zinc/67/15/89/344671589.db2.gz GZXPDFFZFWNYHS-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN CC1CC(Nc2cncnc2)C1 232086693 344671607 /nfs/dbraw/zinc/67/16/07/344671607.db2.gz CLWGLFNAUGLQIS-UHFFFAOYSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H](Nc1cncnc1)[C@@H]1CCOC1 232085294 344671620 /nfs/dbraw/zinc/67/16/20/344671620.db2.gz VFKVENRFRJJSBY-RKDXNWHRSA-N 0 0 193.250 1.314 10 0 ADAERN Cc1cncc(-n2cnnc2Cl)c1 232082254 344671623 /nfs/dbraw/zinc/67/16/23/344671623.db2.gz SNQLYKPWGOINSA-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN C[C@H](Nc1cncnc1)C(F)F 232087161 344671636 /nfs/dbraw/zinc/67/16/36/344671636.db2.gz PGACYRPHFOSFGV-YFKPBYRVSA-N 0 0 173.166 1.542 10 0 ADAERN c1ncc(NCc2cscn2)cn1 232087335 344671640 /nfs/dbraw/zinc/67/16/40/344671640.db2.gz CXWWISCZEAWNHB-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN C[C@@H](Nc1cncnc1)[C@H]1CCOC1 232085297 344671645 /nfs/dbraw/zinc/67/16/45/344671645.db2.gz VFKVENRFRJJSBY-BDAKNGLRSA-N 0 0 193.250 1.314 10 0 ADAERN c1ncc(NC[C@@H]2CCCO2)cn1 232086253 344671656 /nfs/dbraw/zinc/67/16/56/344671656.db2.gz GSNABUBGQWIKCY-VIFPVBQESA-N 0 0 179.223 1.068 10 0 ADAERN CCOC1CC(Nc2cncnc2)C1 232085760 344671668 /nfs/dbraw/zinc/67/16/68/344671668.db2.gz YJFIQLYWODPRHV-UHFFFAOYSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@H](Nc1cncnc1)[C@H]1CCOC1 232085299 344671669 /nfs/dbraw/zinc/67/16/69/344671669.db2.gz VFKVENRFRJJSBY-IUCAKERBSA-N 0 0 193.250 1.314 10 0 ADAERN C[C@H](Nc1cncnc1)[C@@H]1CCOC1 232085295 344671675 /nfs/dbraw/zinc/67/16/75/344671675.db2.gz VFKVENRFRJJSBY-DTWKUNHWSA-N 0 0 193.250 1.314 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1Nc1cncnc1 232085119 344671686 /nfs/dbraw/zinc/67/16/86/344671686.db2.gz FCZXZJQPDZFVKP-IUCAKERBSA-N 0 0 193.250 1.048 10 0 ADAERN C1=C[C@@H]2[C@@H](C1)C[C@@H]2Nc1cncnc1 232086461 344671692 /nfs/dbraw/zinc/67/16/92/344671692.db2.gz CDLBKIIHSFEWNL-GDPRMGEGSA-N 0 0 187.246 1.853 10 0 ADAERN c1ncc(NCc2nccs2)cn1 232085913 344671702 /nfs/dbraw/zinc/67/17/02/344671702.db2.gz IAXCAGZNVWTVQX-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN C[C@@H]1OCC[C@H]1Nc1cncnc1 232086643 344671727 /nfs/dbraw/zinc/67/17/27/344671727.db2.gz NUWKSLDTIPHAFI-IONNQARKSA-N 0 0 179.223 1.066 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1Nc1cncnc1 232085122 344671731 /nfs/dbraw/zinc/67/17/31/344671731.db2.gz FCZXZJQPDZFVKP-BDAKNGLRSA-N 0 0 193.250 1.048 10 0 ADAERN C[C@H]1C[C@@H](Nc2cncnc2)CS1 232085066 344671742 /nfs/dbraw/zinc/67/17/42/344671742.db2.gz KZHSOGYDKUHGBD-JGVFFNPUSA-N 0 0 195.291 1.783 10 0 ADAERN c1ncc(NC[C@H]2CCCO2)cn1 232086255 344671747 /nfs/dbraw/zinc/67/17/47/344671747.db2.gz GSNABUBGQWIKCY-SECBINFHSA-N 0 0 179.223 1.068 10 0 ADAERN C1=C[C@H]2[C@@H](Nc3cncnc3)C[C@H]2C1 232086457 344671750 /nfs/dbraw/zinc/67/17/50/344671750.db2.gz CDLBKIIHSFEWNL-IEBDPFPHSA-N 0 0 187.246 1.853 10 0 ADAERN C[C@H]1OCC[C@H]1Nc1cncnc1 232086645 344671763 /nfs/dbraw/zinc/67/17/63/344671763.db2.gz NUWKSLDTIPHAFI-VXNVDRBHSA-N 0 0 179.223 1.066 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1Nc1cncnc1 232085124 344671766 /nfs/dbraw/zinc/67/17/66/344671766.db2.gz FCZXZJQPDZFVKP-RKDXNWHRSA-N 0 0 193.250 1.048 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cncnc2)CS1 232085064 344671779 /nfs/dbraw/zinc/67/17/79/344671779.db2.gz KZHSOGYDKUHGBD-HTQZYQBOSA-N 0 0 195.291 1.783 10 0 ADAERN c1ncc(NCC2CCOCC2)cn1 232086535 344671786 /nfs/dbraw/zinc/67/17/86/344671786.db2.gz BJYVMCTZTNEOCH-UHFFFAOYSA-N 0 0 193.250 1.315 10 0 ADAERN O=Cc1cccn1-c1cncnc1 232092433 344671888 /nfs/dbraw/zinc/67/18/88/344671888.db2.gz LDDCQQYDOWAIRO-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN Cc1ccc(C)n1-c1cncnc1 232092458 344671896 /nfs/dbraw/zinc/67/18/96/344671896.db2.gz YBKKJGPJOUNLIY-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN Cc1nc(CNc2cncnc2)c[nH]1 232088162 344671900 /nfs/dbraw/zinc/67/19/00/344671900.db2.gz KFCKJBHZGQNGMS-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN C[C@@H](Nc1cncnc1)C1CC1 232087576 344671916 /nfs/dbraw/zinc/67/19/16/344671916.db2.gz LENHAZVZYXJTAI-SSDOTTSWSA-N 0 0 163.224 1.687 10 0 ADAERN c1ncc(NCc2cnco2)cn1 232088204 344671917 /nfs/dbraw/zinc/67/19/17/344671917.db2.gz PDVGEONHYNEELV-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN CC(C)NC(=S)Nc1cncnc1 232088399 344671921 /nfs/dbraw/zinc/67/19/21/344671921.db2.gz KFJNIPSNCGHJJQ-UHFFFAOYSA-N 0 0 196.279 1.171 10 0 ADAERN C[C@H](Nc1cncnc1)C(C)(C)O 232087369 344671931 /nfs/dbraw/zinc/67/19/31/344671931.db2.gz GFCHKBLMVBMLHO-ZETCQYMHSA-N 0 0 181.239 1.048 10 0 ADAERN C[C@H]1C[C@@H](Nc2cncnc2)CCO1 232087773 344671934 /nfs/dbraw/zinc/67/19/34/344671934.db2.gz ODIHNHKIZCGYFF-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN c1ncc(NC[C@@H]2CCSC2)cn1 232087966 344671955 /nfs/dbraw/zinc/67/19/55/344671955.db2.gz SFFKMZHMVHGTQM-QMMMGPOBSA-N 0 0 195.291 1.642 10 0 ADAERN CC(C)OC(=O)Nc1cncnc1 232088446 344671959 /nfs/dbraw/zinc/67/19/59/344671959.db2.gz DOZYJWQUZVRLQP-UHFFFAOYSA-N 0 0 181.195 1.434 10 0 ADAERN OCc1ccc(-c2cncnc2)o1 232092817 344671961 /nfs/dbraw/zinc/67/19/61/344671961.db2.gz MFTHNNDHXIKHHG-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN Cc1nnc(Cl)n1-c1cncnc1 232093931 344671966 /nfs/dbraw/zinc/67/19/66/344671966.db2.gz NZJFCAMBRCMGLY-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN Cc1cn(-c2cncnc2)c(=S)[nH]1 232092019 344671985 /nfs/dbraw/zinc/67/19/85/344671985.db2.gz MEHOSIXRLLALAH-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN CC(C)[C@@H](C)Nc1cncnc1 232088022 344671991 /nfs/dbraw/zinc/67/19/91/344671991.db2.gz ZRCHIUDPRTTZOZ-MRVPVSSYSA-N 0 0 165.240 1.933 10 0 ADAERN CCCNC(=S)Nc1cncnc1 232088442 344672021 /nfs/dbraw/zinc/67/20/21/344672021.db2.gz BVCBRIJFTLJBQE-UHFFFAOYSA-N 0 0 196.279 1.173 10 0 ADAERN C[C@H]1C[C@H](Nc2cncnc2)CCO1 232087776 344672053 /nfs/dbraw/zinc/67/20/53/344672053.db2.gz ODIHNHKIZCGYFF-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN N=C1CCCCN1c1cncnc1 232090283 344672055 /nfs/dbraw/zinc/67/20/55/344672055.db2.gz ZRVRDLMTOSUPND-UHFFFAOYSA-N 0 0 176.223 1.444 10 0 ADAERN Nc1ncc(Cc2cncnc2)s1 232092344 344672059 /nfs/dbraw/zinc/67/20/59/344672059.db2.gz JIBZFIILXQWNBO-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN C[C@@H]1C[C@H](Nc2cncnc2)CCO1 232087775 344672062 /nfs/dbraw/zinc/67/20/62/344672062.db2.gz ODIHNHKIZCGYFF-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@H](Nc1cncnc1)C1CC1 232087577 344672071 /nfs/dbraw/zinc/67/20/71/344672071.db2.gz LENHAZVZYXJTAI-ZETCQYMHSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cncnc2)CCO1 232087771 344672085 /nfs/dbraw/zinc/67/20/85/344672085.db2.gz ODIHNHKIZCGYFF-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN CC(C)[C@H](C)Nc1cncnc1 232088024 344672089 /nfs/dbraw/zinc/67/20/89/344672089.db2.gz ZRCHIUDPRTTZOZ-QMMMGPOBSA-N 0 0 165.240 1.933 10 0 ADAERN Cc1c[nH]c(=S)n1-c1cncnc1 232092012 344672123 /nfs/dbraw/zinc/67/21/23/344672123.db2.gz QWXCSBPECVPVTF-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN c1ncc(NCC2CC2)cn1 232088101 344672139 /nfs/dbraw/zinc/67/21/39/344672139.db2.gz WSTJSNNFFRVCKD-UHFFFAOYSA-N 0 0 149.197 1.299 10 0 ADAERN COC1CC(Nc2cncnc2)C1 232088288 344672165 /nfs/dbraw/zinc/67/21/65/344672165.db2.gz AKFOOZKBFHDGJA-UHFFFAOYSA-N 0 0 179.223 1.066 10 0 ADAERN c1ncc(NC[C@H]2CCSC2)cn1 232087968 344672176 /nfs/dbraw/zinc/67/21/76/344672176.db2.gz SFFKMZHMVHGTQM-MRVPVSSYSA-N 0 0 195.291 1.642 10 0 ADAERN c1ncc(NCC2CCC2)cn1 232088235 344672188 /nfs/dbraw/zinc/67/21/88/344672188.db2.gz LRWLKSZZALTUTK-UHFFFAOYSA-N 0 0 163.224 1.689 10 0 ADAERN C[C@@H](Nc1cncnc1)C(C)(C)O 232087368 344672190 /nfs/dbraw/zinc/67/21/90/344672190.db2.gz GFCHKBLMVBMLHO-SSDOTTSWSA-N 0 0 181.239 1.048 10 0 ADAERN Nc1nc(CC2CCC2)[nH]c(=S)n1 232175959 344672821 /nfs/dbraw/zinc/67/28/21/344672821.db2.gz SIAQFGDJLDGIFB-UHFFFAOYSA-N 0 0 196.279 1.085 10 0 ADAERN CC(C)(C)OC(=O)Nc1cncnc1 232094073 344672314 /nfs/dbraw/zinc/67/23/14/344672314.db2.gz LRMNEWAWYVKDAJ-UHFFFAOYSA-N 0 0 195.222 1.824 10 0 ADAERN CNc1ccncc1F 232112212 344672373 /nfs/dbraw/zinc/67/23/73/344672373.db2.gz KBWHPQBFBDEIEN-UHFFFAOYSA-N 0 0 126.134 1.262 10 0 ADAERN Cn1cc(-c2cccc(F)c2N)cn1 232138017 344672412 /nfs/dbraw/zinc/67/24/12/344672412.db2.gz FBFMNUZUBOLYMT-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN Nc1c(F)cccc1-c1cnccn1 232138111 344672437 /nfs/dbraw/zinc/67/24/37/344672437.db2.gz TWUSOVHQQAUQTG-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN C/C=C/C(=O)Nc1cnc(Cl)cn1 232112758 344672655 /nfs/dbraw/zinc/67/26/55/344672655.db2.gz GJDSXCVYJIOLGB-NSCUHMNNSA-N 0 0 197.625 1.645 10 0 ADAERN COC(=O)Nc1ccncc1F 232109823 344672712 /nfs/dbraw/zinc/67/27/12/344672712.db2.gz LUNSINATENBCIN-UHFFFAOYSA-N 0 0 170.143 1.399 10 0 ADAERN C=CC(=O)Nc1cnc(Cl)cn1 232112876 344672719 /nfs/dbraw/zinc/67/27/19/344672719.db2.gz XJUZJSAYYFKJBV-UHFFFAOYSA-N 0 0 183.598 1.255 10 0 ADAERN CNc1cc(C(F)(F)F)ncc1N 232136934 344672721 /nfs/dbraw/zinc/67/27/21/344672721.db2.gz ITBDAZSILRHQQM-UHFFFAOYSA-N 0 0 191.156 1.724 10 0 ADAERN CNc1nnc(CC2CCC2)n1C 232155730 344672818 /nfs/dbraw/zinc/67/28/18/344672818.db2.gz LHZMGXVSNKJWPA-UHFFFAOYSA-N 0 0 180.255 1.199 10 0 ADAERN CCc1n[nH]c(CC2CCC2)n1 232162610 344672843 /nfs/dbraw/zinc/67/28/43/344672843.db2.gz ZGOVIIXKSFSFRT-UHFFFAOYSA-N 0 0 165.240 1.710 10 0 ADAERN Nc1nc(Cl)nc(CC2CCC2)n1 232175948 344672853 /nfs/dbraw/zinc/67/28/53/344672853.db2.gz LXWYPJUZUXEHEX-UHFFFAOYSA-N 0 0 198.657 1.450 10 0 ADAERN Cc1c(N)noc1CC1CCC1 232175333 344672867 /nfs/dbraw/zinc/67/28/67/344672867.db2.gz BLZHASDSLIMDET-UHFFFAOYSA-N 0 0 166.224 1.908 10 0 ADAERN NCc1ncc(CC2CCC2)o1 232174017 344672879 /nfs/dbraw/zinc/67/28/79/344672879.db2.gz FITRDZIKVRMJFD-UHFFFAOYSA-N 0 0 166.224 1.476 10 0 ADAERN CCc1c(N)n[nH]c1CC1CCC1 232161116 344672907 /nfs/dbraw/zinc/67/29/07/344672907.db2.gz ZWAQMEIJVWOZDJ-UHFFFAOYSA-N 0 0 179.267 1.897 10 0 ADAERN O=C(CC1CCC1)NCC1CC(O)C1 232163377 344672920 /nfs/dbraw/zinc/67/29/20/344672920.db2.gz SKKJJOOGYQOXRF-UHFFFAOYSA-N 0 0 197.278 1.064 10 0 ADAERN Cc1c(CC2CCC2)noc1N 232161875 344672947 /nfs/dbraw/zinc/67/29/47/344672947.db2.gz APXJJFPTCCJJRP-UHFFFAOYSA-N 0 0 166.224 1.908 10 0 ADAERN Cc1nc(CC2CCC2)n[nH]1 232162606 344673002 /nfs/dbraw/zinc/67/30/02/344673002.db2.gz OAKDEPFCYMRFKI-UHFFFAOYSA-N 0 0 151.213 1.456 10 0 ADAERN CN1C(=S)N=NC1CC1CCC1 232162736 344673010 /nfs/dbraw/zinc/67/30/10/344673010.db2.gz VHBGXMIKBXLLII-UHFFFAOYSA-N 0 0 183.280 1.446 10 0 ADAERN S=C1N=NC(CC2CCC2)N1 232162695 344673014 /nfs/dbraw/zinc/67/30/14/344673014.db2.gz GUFDFLSQJGWWLG-UHFFFAOYSA-N 0 0 169.253 1.436 10 0 ADAERN Cn1nc(CC2CCC2)[nH]c1=S 232162740 344673026 /nfs/dbraw/zinc/67/30/26/344673026.db2.gz KHNGLQNMJCULBZ-UHFFFAOYSA-N 0 0 183.280 1.446 10 0 ADAERN Cc1c(N)n[nH]c1CC1CCC1 232161020 344673028 /nfs/dbraw/zinc/67/30/28/344673028.db2.gz RSKDMYMPDWPUEF-UHFFFAOYSA-N 0 0 165.240 1.643 10 0 ADAERN Cn1nncc1C(=O)CC1CCC1 232177258 344673038 /nfs/dbraw/zinc/67/30/38/344673038.db2.gz BAXUMRPPFFMMPD-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN Nc1cc(CC2CCC2)no1 232161880 344673080 /nfs/dbraw/zinc/67/30/80/344673080.db2.gz FLIHZACHAKBKDC-UHFFFAOYSA-N 0 0 152.197 1.599 10 0 ADAERN Nc1cc(CC2CCC2)[nH]n1 232160956 344673094 /nfs/dbraw/zinc/67/30/94/344673094.db2.gz IECRLFRTXHEIES-UHFFFAOYSA-N 0 0 151.213 1.335 10 0 ADAERN Cc1c(N)cccc1-c1cnn(C)c1 232215275 344673344 /nfs/dbraw/zinc/67/33/44/344673344.db2.gz LSYLUXJLXQGOJU-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN Cc1ccc(Cl)c2c1[C@@H](O)C(=O)N2 232221062 344673379 /nfs/dbraw/zinc/67/33/79/344673379.db2.gz UGJUSFJLFNFSDR-MRVPVSSYSA-N 0 0 197.621 1.634 10 0 ADAERN Cc1ccc(Cl)c2c1[C@H](O)C(=O)N2 232221064 344673479 /nfs/dbraw/zinc/67/34/79/344673479.db2.gz UGJUSFJLFNFSDR-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN COc1cc2c(cc1Cl)CC(=O)N2 232206567 344673495 /nfs/dbraw/zinc/67/34/95/344673495.db2.gz FLQUXPNOARLUHR-UHFFFAOYSA-N 0 0 197.621 1.843 10 0 ADAERN Cc1cnc(C[S@](C)=O)c(C)c1N 232233118 344673504 /nfs/dbraw/zinc/67/35/04/344673504.db2.gz VYBPODYUFTUVRE-ZDUSSCGKSA-N 0 0 198.291 1.159 10 0 ADAERN CCc1nnc(N[C@@H]2CCOC2)s1 232285091 344673723 /nfs/dbraw/zinc/67/37/23/344673723.db2.gz VMZIDFJUWTZXHC-ZCFIWIBFSA-N 0 0 199.279 1.301 10 0 ADAERN CCc1nn2c(C)c(C)nc2s1 232278977 344673709 /nfs/dbraw/zinc/67/37/09/344673709.db2.gz MWSNLAKUJGPBBI-UHFFFAOYSA-N 0 0 181.264 1.970 10 0 ADAERN c1c[nH]c(-c2cn3ncsc3n2)c1 232280690 344673711 /nfs/dbraw/zinc/67/37/11/344673711.db2.gz XKAYPUZFMWBBHH-UHFFFAOYSA-N 0 0 190.231 1.786 10 0 ADAERN C1=CO[C@H](CNc2nncs2)CC1 232287370 344673815 /nfs/dbraw/zinc/67/38/15/344673815.db2.gz AQSNVQMJJJVADW-ZETCQYMHSA-N 0 0 197.263 1.643 10 0 ADAERN Cc1nnc(N[C@H](C)C(F)F)s1 232286910 344673834 /nfs/dbraw/zinc/67/38/34/344673834.db2.gz QACVWASYSXZLFB-GSVOUGTGSA-N 0 0 193.222 1.912 10 0 ADAERN CCNc1snc(N)c1C 233696069 344703486 /nfs/dbraw/zinc/70/34/86/344703486.db2.gz NPDIEHXORISWDQ-UHFFFAOYSA-N 0 0 157.242 1.466 10 0 ADAERN C[C@@H](Nc1cnns1)[C@@H]1CCOC1 232290226 344674264 /nfs/dbraw/zinc/67/42/64/344674264.db2.gz OUILHNAGYHDTIJ-RNFRBKRXSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@H](Nc1nncs1)C(F)F 232288738 344674125 /nfs/dbraw/zinc/67/41/25/344674125.db2.gz RBNQDHFBPSVMIX-VKHMYHEASA-N 0 0 179.195 1.604 10 0 ADAERN C1=C[C@H]2[C@@H](Nc3cnns3)C[C@H]2C1 232291089 344674133 /nfs/dbraw/zinc/67/41/33/344674133.db2.gz FKADJTPDXPGTAY-PRJMDXOYSA-N 0 0 193.275 1.915 10 0 ADAERN C[C@@H]1CC[C@@H](CNc2nncs2)O1 232288692 344674143 /nfs/dbraw/zinc/67/41/43/344674143.db2.gz DZPXERPDLGUOJY-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN c1cc(CNc2cnns2)c[nH]1 232290002 344674157 /nfs/dbraw/zinc/67/41/57/344674157.db2.gz MBFXWWBVKCHYTQ-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN C[C@H]1C[C@H](Nc2nncs2)CCO1 232289127 344674184 /nfs/dbraw/zinc/67/41/84/344674184.db2.gz GIILSFYLKJTLDZ-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@@H]1CC[C@H](CNc2nncs2)O1 232288696 344674197 /nfs/dbraw/zinc/67/41/97/344674197.db2.gz DZPXERPDLGUOJY-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN c1csc(CNc2cnns2)n1 232290686 344674202 /nfs/dbraw/zinc/67/42/02/344674202.db2.gz FGRJHPGQSGKMLP-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN COC1CC(Nc2nncs2)C1 232289479 344674212 /nfs/dbraw/zinc/67/42/12/344674212.db2.gz LJZWQSUYHGPNTJ-UHFFFAOYSA-N 0 0 185.252 1.127 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1Nc1cnns1 232290073 344674222 /nfs/dbraw/zinc/67/42/22/344674222.db2.gz VHPSYSDZAXWHLJ-PHDIDXHHSA-N 0 0 199.279 1.109 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1Nc1cnns1 232290068 344674224 /nfs/dbraw/zinc/67/42/24/344674224.db2.gz VHPSYSDZAXWHLJ-WDSKDSINSA-N 0 0 199.279 1.109 10 0 ADAERN C[C@@H](Nc1nncs1)C(F)F 232288736 344674227 /nfs/dbraw/zinc/67/42/27/344674227.db2.gz RBNQDHFBPSVMIX-GSVOUGTGSA-N 0 0 179.195 1.604 10 0 ADAERN C[C@H]1CC[C@@H](CNc2nncs2)O1 232288694 344674230 /nfs/dbraw/zinc/67/42/30/344674230.db2.gz DZPXERPDLGUOJY-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@@H](Nc1cnns1)[C@H]1CCOC1 232290230 344674232 /nfs/dbraw/zinc/67/42/32/344674232.db2.gz OUILHNAGYHDTIJ-RQJHMYQMSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@H](Nc1nncs1)C(C)(C)O 232288887 344674234 /nfs/dbraw/zinc/67/42/34/344674234.db2.gz WBIXXUPFHBRPAW-YFKPBYRVSA-N 0 0 187.268 1.109 10 0 ADAERN CC1(C)[C@@H](Nc2cnns2)C[C@H]1O 232290069 344674235 /nfs/dbraw/zinc/67/42/35/344674235.db2.gz VHPSYSDZAXWHLJ-NTSWFWBYSA-N 0 0 199.279 1.109 10 0 ADAERN c1nnsc1NCC1CCOCC1 232291151 344674238 /nfs/dbraw/zinc/67/42/38/344674238.db2.gz YJDODOTVLDZEFJ-UHFFFAOYSA-N 0 0 199.279 1.377 10 0 ADAERN C[C@@H]1C[C@H](Nc2nncs2)CCO1 232289126 344674248 /nfs/dbraw/zinc/67/42/48/344674248.db2.gz GIILSFYLKJTLDZ-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN c1snnc1CNc1cnns1 232291069 344674250 /nfs/dbraw/zinc/67/42/50/344674250.db2.gz DZSUESBGQOOMFA-UHFFFAOYSA-N 0 0 199.264 1.002 10 0 ADAERN c1nnc(NCc2csnn2)s1 232288226 344674260 /nfs/dbraw/zinc/67/42/60/344674260.db2.gz DUPLAOARNIBQTI-UHFFFAOYSA-N 0 0 199.264 1.002 10 0 ADAERN c1nnsc1NC[C@H]1CCCOC1 232291063 344674305 /nfs/dbraw/zinc/67/43/05/344674305.db2.gz DTFSWOQKICPOLY-SSDOTTSWSA-N 0 0 199.279 1.377 10 0 ADAERN C[C@@H]1C[C@@H](Nc2nncs2)CCO1 232289122 344674320 /nfs/dbraw/zinc/67/43/20/344674320.db2.gz GIILSFYLKJTLDZ-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@H](Nc1cnns1)c1cc[nH]n1 232289907 344674337 /nfs/dbraw/zinc/67/43/37/344674337.db2.gz BCKSXZFHXJOXIB-YFKPBYRVSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@H]1CC[C@H](CNc2nncs2)O1 232288697 344674343 /nfs/dbraw/zinc/67/43/43/344674343.db2.gz DZPXERPDLGUOJY-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN C1=C[C@@H]2[C@@H](C1)C[C@@H]2Nc1cnns1 232291093 344674349 /nfs/dbraw/zinc/67/43/49/344674349.db2.gz FKADJTPDXPGTAY-RNJXMRFFSA-N 0 0 193.275 1.915 10 0 ADAERN Cc1nc[nH]c1CNc1nncs1 232288080 344674352 /nfs/dbraw/zinc/67/43/52/344674352.db2.gz LDWWIHZETPVTBZ-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN c1nnc(N[C@@H]2CCCOCC2)s1 232289421 344674364 /nfs/dbraw/zinc/67/43/64/344674364.db2.gz JHDYGRCOVYPIPZ-SSDOTTSWSA-N 0 0 199.279 1.519 10 0 ADAERN c1nnc(N[C@H]2CCCOCC2)s1 232289423 344674370 /nfs/dbraw/zinc/67/43/70/344674370.db2.gz JHDYGRCOVYPIPZ-ZETCQYMHSA-N 0 0 199.279 1.519 10 0 ADAERN c1nnsc1NC[C@H]1CCCO1 232290932 344674394 /nfs/dbraw/zinc/67/43/94/344674394.db2.gz BXNHBFUVBJANLG-ZCFIWIBFSA-N 0 0 185.252 1.129 10 0 ADAERN c1nnsc1NC1CC1 232291705 344674811 /nfs/dbraw/zinc/67/48/11/344674811.db2.gz OAOHJHGPECQZOB-UHFFFAOYSA-N 0 0 141.199 1.112 10 0 ADAERN Cc1nc(CNc2cnns2)c[nH]1 232292575 344674709 /nfs/dbraw/zinc/67/47/09/344674709.db2.gz SBLHPTYIRCIHJN-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN CC[C@@H](C)CNc1cnns1 232292093 344674729 /nfs/dbraw/zinc/67/47/29/344674729.db2.gz GGJAWVCXGMYTIY-ZCFIWIBFSA-N 0 0 171.269 1.996 10 0 ADAERN c1nnsc1NCC1CC1 232292529 344674730 /nfs/dbraw/zinc/67/47/30/344674730.db2.gz DZPVNHMUDHZOAD-UHFFFAOYSA-N 0 0 155.226 1.360 10 0 ADAERN C[C@H](Nc1cnns1)C(F)F 232291699 344674747 /nfs/dbraw/zinc/67/47/47/344674747.db2.gz QOYGPMDFGVYSJS-VKHMYHEASA-N 0 0 179.195 1.604 10 0 ADAERN C[C@@H](Nc1cnns1)C(F)F 232291698 344674772 /nfs/dbraw/zinc/67/47/72/344674772.db2.gz QOYGPMDFGVYSJS-GSVOUGTGSA-N 0 0 179.195 1.604 10 0 ADAERN COC1CC(Nc2cnns2)C1 232292700 344674774 /nfs/dbraw/zinc/67/47/74/344674774.db2.gz FEGVXXJXDVAINN-UHFFFAOYSA-N 0 0 185.252 1.127 10 0 ADAERN CC[C@H](C)Nc1cnns1 232292408 344674775 /nfs/dbraw/zinc/67/47/75/344674775.db2.gz DWTIIWPXIDFMEP-YFKPBYRVSA-N 0 0 157.242 1.749 10 0 ADAERN C[C@H]1C[C@H](Nc2cnns2)CCO1 232292214 344674789 /nfs/dbraw/zinc/67/47/89/344674789.db2.gz HEVQDUSQLKEPRF-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN c1nnsc1N[C@H]1CCCOCC1 232292604 344674793 /nfs/dbraw/zinc/67/47/93/344674793.db2.gz JRVSOFFFHYFDBO-ZETCQYMHSA-N 0 0 199.279 1.519 10 0 ADAERN c1nnsc1N[C@@H]1CCCOCC1 232292602 344674794 /nfs/dbraw/zinc/67/47/94/344674794.db2.gz JRVSOFFFHYFDBO-SSDOTTSWSA-N 0 0 199.279 1.519 10 0 ADAERN Cc1n[nH]cc1CNc1cnns1 232291422 344674796 /nfs/dbraw/zinc/67/47/96/344674796.db2.gz PDOCGEVDUBGABK-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN C[C@@H]1CC[C@H](CNc2cnns2)O1 232291666 344674817 /nfs/dbraw/zinc/67/48/17/344674817.db2.gz UPXXSKAOZWXFAA-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@H](Nc1cnns1)C(C)(C)O 232291904 344674819 /nfs/dbraw/zinc/67/48/19/344674819.db2.gz JMKOOUXSOHDBTN-YFKPBYRVSA-N 0 0 187.268 1.109 10 0 ADAERN c1ncc(CNc2cnns2)o1 232292617 344674820 /nfs/dbraw/zinc/67/48/20/344674820.db2.gz RTSWMLIGFJNPGP-UHFFFAOYSA-N 0 0 182.208 1.138 10 0 ADAERN OC1CCC(Nc2cnns2)CC1 232291701 344674825 /nfs/dbraw/zinc/67/48/25/344674825.db2.gz SDNMBWRFYLKVPC-UHFFFAOYSA-N 0 0 199.279 1.254 10 0 ADAERN c1cc(CNc2cnns2)co1 232291888 344674843 /nfs/dbraw/zinc/67/48/43/344674843.db2.gz IOLVMMWQNQAUBC-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN C[C@@H]1C[C@H](Nc2cnns2)CCO1 232292212 344674845 /nfs/dbraw/zinc/67/48/45/344674845.db2.gz HEVQDUSQLKEPRF-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN CC[C@@H](C)Nc1cnns1 232292406 344674850 /nfs/dbraw/zinc/67/48/50/344674850.db2.gz DWTIIWPXIDFMEP-RXMQYKEDSA-N 0 0 157.242 1.749 10 0 ADAERN c1nnsc1NC1CCC1 232291882 344674851 /nfs/dbraw/zinc/67/48/51/344674851.db2.gz BJCFRYIWVCKLEW-UHFFFAOYSA-N 0 0 155.226 1.503 10 0 ADAERN CC1CC(Nc2cnns2)C1 232291268 344674853 /nfs/dbraw/zinc/67/48/53/344674853.db2.gz HUEDPHSEYXSWKO-UHFFFAOYSA-N 0 0 169.253 1.749 10 0 ADAERN C[C@@H]1CC[C@@H](CNc2cnns2)O1 232291662 344674855 /nfs/dbraw/zinc/67/48/55/344674855.db2.gz UPXXSKAOZWXFAA-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@H]1CC[C@@H](CNc2cnns2)O1 232291664 344674870 /nfs/dbraw/zinc/67/48/70/344674870.db2.gz UPXXSKAOZWXFAA-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN c1nnsc1N[C@H]1CCCOC1 232291918 344674876 /nfs/dbraw/zinc/67/48/76/344674876.db2.gz PMPWFCAEUCNTSX-LURJTMIESA-N 0 0 185.252 1.129 10 0 ADAERN C[C@@H](Nc1cnns1)C(C)(C)O 232291903 344674880 /nfs/dbraw/zinc/67/48/80/344674880.db2.gz JMKOOUXSOHDBTN-RXMQYKEDSA-N 0 0 187.268 1.109 10 0 ADAERN c1nnsc1NCC1CCC1 232292658 344674882 /nfs/dbraw/zinc/67/48/82/344674882.db2.gz WPKIWEQMYAFHPQ-UHFFFAOYSA-N 0 0 169.253 1.750 10 0 ADAERN C[C@H]1C[C@@H](Nc2cnns2)CCO1 232292210 344674895 /nfs/dbraw/zinc/67/48/95/344674895.db2.gz HEVQDUSQLKEPRF-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN Cn1ccc(CNc2cnns2)c1 232292275 344674908 /nfs/dbraw/zinc/67/49/08/344674908.db2.gz HTLZMELIRGYWCU-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN C[C@@H](Nc1cnns1)C1CC1 232292056 344674922 /nfs/dbraw/zinc/67/49/22/344674922.db2.gz VLXRJHMOGUCOEI-RXMQYKEDSA-N 0 0 169.253 1.749 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cnns2)CCO1 232292209 344674927 /nfs/dbraw/zinc/67/49/27/344674927.db2.gz HEVQDUSQLKEPRF-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN CC[C@H](C)CNc1cnns1 232292094 344674931 /nfs/dbraw/zinc/67/49/31/344674931.db2.gz GGJAWVCXGMYTIY-LURJTMIESA-N 0 0 171.269 1.996 10 0 ADAERN C[C@H]1CC[C@H](CNc2cnns2)O1 232291668 344674935 /nfs/dbraw/zinc/67/49/35/344674935.db2.gz UPXXSKAOZWXFAA-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN CCCCNc1cnns1 232291771 344674947 /nfs/dbraw/zinc/67/49/47/344674947.db2.gz JNDVSNSXWUAJBP-UHFFFAOYSA-N 0 0 157.242 1.750 10 0 ADAERN C[C@H](Nc1cnns1)C1CC1 232292058 344674949 /nfs/dbraw/zinc/67/49/49/344674949.db2.gz VLXRJHMOGUCOEI-YFKPBYRVSA-N 0 0 169.253 1.749 10 0 ADAERN c1nnsc1N[C@@H]1CCCOC1 232291917 344674952 /nfs/dbraw/zinc/67/49/52/344674952.db2.gz PMPWFCAEUCNTSX-ZCFIWIBFSA-N 0 0 185.252 1.129 10 0 ADAERN Cc1ccc2c(c1F)O[C@@H](C)[C@H]2[NH3+] 232324215 344675246 /nfs/dbraw/zinc/67/52/46/344675246.db2.gz HYTAPKYVIPCSQQ-IMTBSYHQSA-N 0 0 181.210 1.915 10 0 ADAERN Cc1ccc2c(c1F)O[C@H](C)[C@H]2[NH3+] 232324217 344675225 /nfs/dbraw/zinc/67/52/25/344675225.db2.gz HYTAPKYVIPCSQQ-HZGVNTEJSA-N 0 0 181.210 1.915 10 0 ADAERN CCNc1nnc2ccccc2n1 232317487 344675260 /nfs/dbraw/zinc/67/52/60/344675260.db2.gz ZTDUNYIWGWGPSG-UHFFFAOYSA-N 0 0 174.207 1.457 10 0 ADAERN Cc1ccc2c(c1F)OC[C@H]2O 232332374 344675263 /nfs/dbraw/zinc/67/52/63/344675263.db2.gz PPIGQWLQHLHOLU-SSDOTTSWSA-N 0 0 168.167 1.560 10 0 ADAERN Cc1ccc2c(c1F)OC[C@@H]2O 232332372 344675356 /nfs/dbraw/zinc/67/53/56/344675356.db2.gz PPIGQWLQHLHOLU-ZETCQYMHSA-N 0 0 168.167 1.560 10 0 ADAERN Cc1ccc2c(c1F)O[C@@H](C)[C@@H]2[NH3+] 232324212 344675392 /nfs/dbraw/zinc/67/53/92/344675392.db2.gz HYTAPKYVIPCSQQ-RCOVLWMOSA-N 0 0 181.210 1.915 10 0 ADAERN CC(C)OC(=O)CCOCC(F)F 232335081 344675402 /nfs/dbraw/zinc/67/54/02/344675402.db2.gz FWXANOCNRJSVCP-UHFFFAOYSA-N 0 0 196.193 1.610 10 0 ADAERN Cc1ccc2c(c1F)O[C@H](C)[C@@H]2[NH3+] 232324214 344675441 /nfs/dbraw/zinc/67/54/41/344675441.db2.gz HYTAPKYVIPCSQQ-MUWHJKNJSA-N 0 0 181.210 1.915 10 0 ADAERN Cc1ccc2c(c1F)OCC[NH2+]C2 232332400 344675445 /nfs/dbraw/zinc/67/54/45/344675445.db2.gz JPDKIXNQXSMHMZ-UHFFFAOYSA-N 0 0 181.210 1.616 10 0 ADAERN C[NH2+][C@H]1COc2c1ccc(C)c2F 232324344 344675481 /nfs/dbraw/zinc/67/54/81/344675481.db2.gz XHPOIWNTCAEPBS-QMMMGPOBSA-N 0 0 181.210 1.787 10 0 ADAERN CN(C)C(=[NH2+])c1ccc([O-])c(F)c1 232351415 344675692 /nfs/dbraw/zinc/67/56/92/344675692.db2.gz CANBYZNMSJODPI-UHFFFAOYSA-N 0 0 182.198 1.418 10 0 ADAERN CNC(=[NH2+])c1ccc([O-])c(F)c1 232351374 344675712 /nfs/dbraw/zinc/67/57/12/344675712.db2.gz YZDXWPDNCOSUMZ-UHFFFAOYSA-N 0 0 168.171 1.076 10 0 ADAERN CCn1ncc(NC(C)C)cc1=O 232377049 344675733 /nfs/dbraw/zinc/67/57/33/344675733.db2.gz XGQLLKWUJVNCPJ-UHFFFAOYSA-N 0 0 181.239 1.084 10 0 ADAERN CCCNc1cnn(CC)c(=O)c1 232379086 344675784 /nfs/dbraw/zinc/67/57/84/344675784.db2.gz ZZJSTPMCMTVWQI-UHFFFAOYSA-N 0 0 181.239 1.085 10 0 ADAERN CCCn1ncc(NC(C)C)cc1=O 232376706 344675789 /nfs/dbraw/zinc/67/57/89/344675789.db2.gz OASNBDDNGUYLAO-UHFFFAOYSA-N 0 0 195.266 1.474 10 0 ADAERN CCc1cc(OC)c2c(c1)[C@@H](O)CO2 232359912 344675793 /nfs/dbraw/zinc/67/57/93/344675793.db2.gz WGVLGMWTJJLZGQ-VIFPVBQESA-N 0 0 194.230 1.683 10 0 ADAERN CCCCn1ncc(NC)cc1=O 232374416 344675846 /nfs/dbraw/zinc/67/58/46/344675846.db2.gz CZHWYRWIEGHOCC-UHFFFAOYSA-N 0 0 181.239 1.085 10 0 ADAERN COC(=N)c1ccc(O)c(F)c1 232351244 344675880 /nfs/dbraw/zinc/67/58/80/344675880.db2.gz WPXWJXSPTXEFCA-UHFFFAOYSA-N 0 0 169.155 1.503 10 0 ADAERN CC(C)(C)CCn1ncc(N)cc1=O 232373267 344675889 /nfs/dbraw/zinc/67/58/89/344675889.db2.gz NYKQJPCLGIKLRQ-UHFFFAOYSA-N 0 0 195.266 1.262 10 0 ADAERN CCNC(=[NH2+])c1ccc([O-])c(F)c1 232351381 344675954 /nfs/dbraw/zinc/67/59/54/344675954.db2.gz DLPXSHWEJBTWCT-UHFFFAOYSA-N 0 0 182.198 1.466 10 0 ADAERN CCc1cc(OC)c2c(c1)[C@H](O)CO2 232359914 344676018 /nfs/dbraw/zinc/67/60/18/344676018.db2.gz WGVLGMWTJJLZGQ-SECBINFHSA-N 0 0 194.230 1.683 10 0 ADAERN Oc1ccc(NC2COC2)cc1Cl 232390480 344676192 /nfs/dbraw/zinc/67/61/92/344676192.db2.gz XVKMRQVHOITUDK-UHFFFAOYSA-N 0 0 199.637 1.856 10 0 ADAERN Cc1cc(O)cc(OC[C@@H](C)O)c1 232396654 344676123 /nfs/dbraw/zinc/67/61/23/344676123.db2.gz CUTXTDHEBNFAOC-MRVPVSSYSA-N 0 0 182.219 1.460 10 0 ADAERN C[NH2+]Cc1ccsc1C(=O)[O-] 232422661 344676156 /nfs/dbraw/zinc/67/61/56/344676156.db2.gz JVUKYJLEXJPTEL-UHFFFAOYSA-N 0 0 171.221 1.166 10 0 ADAERN CCON[C@@H]1CCc2cc(O)ccc21 232408277 344676211 /nfs/dbraw/zinc/67/62/11/344676211.db2.gz VYFFOHMRWRNPFI-LLVKDONJSA-N 0 0 193.246 1.921 10 0 ADAERN CCON[C@H]1CCc2cc(O)ccc21 232408279 344676217 /nfs/dbraw/zinc/67/62/17/344676217.db2.gz VYFFOHMRWRNPFI-NSHDSACASA-N 0 0 193.246 1.921 10 0 ADAERN COC(=O)C=CNC1CCC(C)CC1 232436090 344676236 /nfs/dbraw/zinc/67/62/36/344676236.db2.gz RHDKELUDYKAKFK-BQYQJAHWSA-N 0 0 197.278 1.841 10 0 ADAERN 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196.181 1.138 10 0 ADAERN c1ccc(CONC2CC2)cc1 232465182 344678111 /nfs/dbraw/zinc/67/81/11/344678111.db2.gz PHGGHBOYRUJOEO-UHFFFAOYSA-N 0 0 163.220 1.870 10 0 ADAERN c1cnnc(CNc2nccs2)c1 232462824 344678381 /nfs/dbraw/zinc/67/83/81/344678381.db2.gz AYAWQGLBFYUMPO-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN C/C=C/CNc1cn(C)nc1C 232471265 344679305 /nfs/dbraw/zinc/67/93/05/344679305.db2.gz LWRJQJBFQMPMGC-SNAWJCMRSA-N 0 0 165.240 1.717 10 0 ADAERN C/C=C/CNc1ccn(C)n1 232471240 344679329 /nfs/dbraw/zinc/67/93/29/344679329.db2.gz UMJDCHXNPLVMTR-ONEGZZNKSA-N 0 0 151.213 1.408 10 0 ADAERN C/C=C/CNc1cnn(C)c1 232471277 344679360 /nfs/dbraw/zinc/67/93/60/344679360.db2.gz RDRIBOWNOHSMCA-ONEGZZNKSA-N 0 0 151.213 1.408 10 0 ADAERN C/C=C/COc1ncc(N)cc1C 232477267 344679825 /nfs/dbraw/zinc/67/98/25/344679825.db2.gz LGRGZOLTMPPVTA-ONEGZZNKSA-N 0 0 178.235 1.927 10 0 ADAERN CC(=O)c1nc([C@@H]2CC2(C)C)no1 232488506 344679836 /nfs/dbraw/zinc/67/98/36/344679836.db2.gz PPJJLVXLDFXJCM-LURJTMIESA-N 0 0 180.207 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/nfs/dbraw/zinc/68/03/20/344680320.db2.gz SXDOKCPUZKQULS-QMMMGPOBSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)(C)[C@H](O)[C@@H](O)c1ccco1 232509281 344680337 /nfs/dbraw/zinc/68/03/37/344680337.db2.gz RBUUUILOFUFHMD-DTWKUNHWSA-N 0 0 184.235 1.720 10 0 ADAERN CC(C)(C)[C@H](O)[C@H](O)C1CCCC1 232509585 344680350 /nfs/dbraw/zinc/68/03/50/344680350.db2.gz XAQCTAPGJIYHBG-NXEZZACHSA-N 0 0 186.295 1.945 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H](O)C1CC1 232498471 344680356 /nfs/dbraw/zinc/68/03/56/344680356.db2.gz LYYBUYRMVIQXPL-YUMQZZPRSA-N 0 0 158.241 1.164 10 0 ADAERN CC(C)(C)[C@@H](O)C1(O)CCCC1 232496238 344680360 /nfs/dbraw/zinc/68/03/60/344680360.db2.gz SXDOKCPUZKQULS-MRVPVSSYSA-N 0 0 172.268 1.699 10 0 ADAERN CC(C)(C)[C@@H](O)C(=O)C1CC1 232494079 344680365 /nfs/dbraw/zinc/68/03/65/344680365.db2.gz JYQKUJJXFDTARM-QMMMGPOBSA-N 0 0 156.225 1.373 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H](O)c1ccco1 232499746 344680367 /nfs/dbraw/zinc/68/03/67/344680367.db2.gz RBUUUILOFUFHMD-IUCAKERBSA-N 0 0 184.235 1.720 10 0 ADAERN CC(C)(C)[C@H](O)[C@H](O)C1CC1 232509578 344680379 /nfs/dbraw/zinc/68/03/79/344680379.db2.gz LYYBUYRMVIQXPL-HTQZYQBOSA-N 0 0 158.241 1.164 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H](O)C1CCCC1 232500191 344680389 /nfs/dbraw/zinc/68/03/89/344680389.db2.gz XAQCTAPGJIYHBG-ZJUUUORDSA-N 0 0 186.295 1.945 10 0 ADAERN CC(C)(C)[C@@H](O)[C@H](O)c1cccnc1 232501223 344680398 /nfs/dbraw/zinc/68/03/98/344680398.db2.gz BTTJITAQUOOMJY-ZJUUUORDSA-N 0 0 195.262 1.522 10 0 ADAERN CC(C)(C1CC1)N1CCCNC1=O 232516667 344680436 /nfs/dbraw/zinc/68/04/36/344680436.db2.gz XWYGFLYZDFLCHI-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN CC(C)(C)[C@H](O)C(=O)C1CC1 232505732 344680441 /nfs/dbraw/zinc/68/04/41/344680441.db2.gz JYQKUJJXFDTARM-MRVPVSSYSA-N 0 0 156.225 1.373 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H](O)C1CCCC1 232498482 344680446 /nfs/dbraw/zinc/68/04/46/344680446.db2.gz XAQCTAPGJIYHBG-UWVGGRQHSA-N 0 0 186.295 1.945 10 0 ADAERN CC(C)(C1CC1)N1CCC(=O)C1 232516609 344680448 /nfs/dbraw/zinc/68/04/48/344680448.db2.gz 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/nfs/dbraw/zinc/70/08/18/344700818.db2.gz MITARTDNDDVAHX-LDYMZIIASA-N 0 0 193.246 1.383 10 0 ADAERN CCC[C@]1(CC)COC(N)=N1 233366042 344701055 /nfs/dbraw/zinc/70/10/55/344701055.db2.gz TVIODMLENACBDL-MRVPVSSYSA-N 0 0 156.229 1.280 10 0 ADAERN CCC[C@]1(CC)COC(=O)N1 233366029 344701076 /nfs/dbraw/zinc/70/10/76/344701076.db2.gz LEZMUSZNSMIOIC-MRVPVSSYSA-N 0 0 157.213 1.675 10 0 ADAERN CCC[C@H]1N=C(C2(C)CC2)NC1=O 233369072 344701158 /nfs/dbraw/zinc/70/11/58/344701158.db2.gz RPMUIMPJJHECJE-SSDOTTSWSA-N 0 0 180.251 1.484 10 0 ADAERN CCC[C@H]1C[C@H]1N1CCC(=O)CC1 233361394 344701161 /nfs/dbraw/zinc/70/11/61/344701161.db2.gz IGUIETSVOQFREP-GXSJLCMTSA-N 0 0 181.279 1.840 10 0 ADAERN CCC[C@H](C)[C@@H]1CCCNC1=O 233341828 344701170 /nfs/dbraw/zinc/70/11/70/344701170.db2.gz JBUGTOFIHRMBBD-IUCAKERBSA-N 0 0 169.268 1.949 10 0 ADAERN CCC[C@H](C)[C@@H]1CCNC1=O 233341895 344701184 /nfs/dbraw/zinc/70/11/84/344701184.db2.gz FUPCUDQOEFXKIV-YUMQZZPRSA-N 0 0 155.241 1.559 10 0 ADAERN 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/nfs/dbraw/zinc/70/21/92/344702192.db2.gz WEWXLGIAJFKKGQ-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN CCN(C=O)c1cccc(O)c1 233441375 344702203 /nfs/dbraw/zinc/70/22/03/344702203.db2.gz ZIVJQZNWUYDZOT-UHFFFAOYSA-N 0 0 165.192 1.375 10 0 ADAERN CCC[C@H]1C[C@H]1Nc1nnc(N)o1 233441679 344702240 /nfs/dbraw/zinc/70/22/40/344702240.db2.gz UKIYXJXWJGTZSQ-NTSWFWBYSA-N 0 0 182.227 1.252 10 0 ADAERN CCN(c1ccc(N)c(N)c1)C1CC1 233462179 344702241 /nfs/dbraw/zinc/70/22/41/344702241.db2.gz YKJIKRRRWNTQDG-UHFFFAOYSA-N 0 0 191.278 1.840 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1ccc(=O)[nH]c1 233459349 344702251 /nfs/dbraw/zinc/70/22/51/344702251.db2.gz MITARTDNDDVAHX-KWQFWETISA-N 0 0 193.246 1.383 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1ccc(=O)[nH]c1 233455105 344702263 /nfs/dbraw/zinc/70/22/63/344702263.db2.gz MITARTDNDDVAHX-GZMMTYOYSA-N 0 0 193.246 1.383 10 0 ADAERN CC[N@@H+]1CCCC(C)(C)[C@@H]1C(=O)[O-] 233475210 344702282 /nfs/dbraw/zinc/70/22/82/344702282.db2.gz WEWXLGIAJFKKGQ-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN CCNC(=O)[C@@H](C)c1cccc(N)c1 233485878 344702523 /nfs/dbraw/zinc/70/25/23/344702523.db2.gz SVVPQRHKULIJQH-QMMMGPOBSA-N 0 0 192.262 1.508 10 0 ADAERN CCNC(=O)c1sc(NC)cc1N 233492167 344702638 /nfs/dbraw/zinc/70/26/38/344702638.db2.gz FNXZHALRFGFZNX-UHFFFAOYSA-N 0 0 199.279 1.122 10 0 ADAERN CCNC(=S)NC(C)(C)C1CC1 233512083 344702677 /nfs/dbraw/zinc/70/26/77/344702677.db2.gz LKPDJAWHKUVSMK-UHFFFAOYSA-N 0 0 186.324 1.659 10 0 ADAERN CCNc1cc(N)ns1 233673802 344703281 /nfs/dbraw/zinc/70/32/81/344703281.db2.gz VZYHSOSMSMRSSB-UHFFFAOYSA-N 0 0 143.215 1.157 10 0 ADAERN CCNc1[nH]c(=O)c(F)cc1F 233688239 344703287 /nfs/dbraw/zinc/70/32/87/344703287.db2.gz RIKWJOMYPBRXQE-UHFFFAOYSA-N 0 0 174.150 1.497 10 0 ADAERN CCNc1ncc(F)cc1CO 233681714 344703322 /nfs/dbraw/zinc/70/33/22/344703322.db2.gz CELDTDCLFVPKEK-UHFFFAOYSA-N 0 0 170.187 1.145 10 0 ADAERN CCOC(=O)[C@H]1CCc2cccnc21 233687544 344703370 /nfs/dbraw/zinc/70/33/70/344703370.db2.gz IEBRNIPFQSRYKZ-VIFPVBQESA-N 0 0 191.230 1.675 10 0 ADAERN 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164.208 1.210 10 0 ADAERN CC[C@H]1C[C@@H]1N1C(=S)N=NC1N 234165300 344714299 /nfs/dbraw/zinc/71/42/99/344714299.db2.gz MRABFJVRPJPSKG-WHFBIAKZSA-N 0 0 184.268 1.120 10 0 ADAERN CC[C@H]1C[C@@H]1n1cc[nH]c1=O 234170701 344714304 /nfs/dbraw/zinc/71/43/04/344714304.db2.gz SDCSCRMFFNXRFO-BQBZGAKWSA-N 0 0 152.197 1.147 10 0 ADAERN CC[C@H]1C[C@@H]1N1C(=S)N=NC1C 234161798 344714342 /nfs/dbraw/zinc/71/43/42/344714342.db2.gz SXAYRNACYVNGDW-BQBZGAKWSA-N 0 0 183.280 1.846 10 0 ADAERN CC[C@H]1C[C@@H]1N1CN=NC1=S 234172419 344714347 /nfs/dbraw/zinc/71/43/47/344714347.db2.gz CWZKMANLNZUSBP-WDSKDSINSA-N 0 0 169.253 1.538 10 0 ADAERN CC[C@H]1C[C@@H]1n1cnnc1Cl 234172388 344714358 /nfs/dbraw/zinc/71/43/58/344714358.db2.gz KIKBVNWJGDBPBO-WDSKDSINSA-N 0 0 171.631 1.903 10 0 ADAERN CC[C@H]1C[C@@H]1n1ccc(=O)[nH]c1=S 234170733 344714367 /nfs/dbraw/zinc/71/43/67/344714367.db2.gz VXXSJTWEFGELDG-BQBZGAKWSA-N 0 0 196.275 1.503 10 0 ADAERN CC[C@H]1C[C@@H]1N1C(=O)C=C(C)C1=O 234160643 344714382 /nfs/dbraw/zinc/71/43/82/344714382.db2.gz QWAHCZHETXQICF-YUMQZZPRSA-N 0 0 179.219 1.100 10 0 ADAERN CCc1nc(Cl)c2c(n1)CCOC2 234186256 344714436 /nfs/dbraw/zinc/71/44/36/344714436.db2.gz RBZCOOKFIFFUEQ-UHFFFAOYSA-N 0 0 198.653 1.765 10 0 ADAERN CC[C@H]1C[C@@H]1n1cncc1C=O 234171317 344714449 /nfs/dbraw/zinc/71/44/49/344714449.db2.gz LVEIMMJQAAAAOE-CBAPKCEASA-N 0 0 164.208 1.667 10 0 ADAERN CCc1[nH]cnc(=NN(C)C)c1F 234169935 344714515 /nfs/dbraw/zinc/71/45/15/344714515.db2.gz IMLOEBSSXCSSRT-UHFFFAOYSA-N 0 0 184.218 1.067 10 0 ADAERN CCn1ccnc1[C@@H](N)C(F)F 234203589 344714743 /nfs/dbraw/zinc/71/47/43/344714743.db2.gz YECZISDNVVGBQF-YFKPBYRVSA-N 0 0 175.182 1.168 10 0 ADAERN CCn1cc([C@@H](O)[C@@H]2CC2(C)C)cn1 234214499 344714750 /nfs/dbraw/zinc/71/47/50/344714750.db2.gz PPLGAYTVPRAEBO-VHSXEESVSA-N 0 0 194.278 1.983 10 0 ADAERN CCc1nc2c(c(=S)[nH]1)COCC2 234205020 344714762 /nfs/dbraw/zinc/71/47/62/344714762.db2.gz LTIPGXZHOOLCTN-UHFFFAOYSA-N 0 0 196.275 1.400 10 0 ADAERN CCc1nc(C(C)C)c(C)c(=O)[nH]1 234190565 344714770 /nfs/dbraw/zinc/71/47/70/344714770.db2.gz LDXUMBXWOKDEFQ-UHFFFAOYSA-N 0 0 180.251 1.764 10 0 ADAERN CCc1occc1C1(O)CC1 234218340 344714793 /nfs/dbraw/zinc/71/47/93/344714793.db2.gz NIGGIPCUCYSWGG-UHFFFAOYSA-N 0 0 152.193 1.823 10 0 ADAERN CN(C)C(=O)c1cc(N)cnc1Cl 234213818 344714796 /nfs/dbraw/zinc/71/47/96/344714796.db2.gz INVWKUQQVONJDE-UHFFFAOYSA-N 0 0 199.641 1.019 10 0 ADAERN Cc1cc(N)cc(C(=O)N(C)C)c1F 234213764 344714819 /nfs/dbraw/zinc/71/48/19/344714819.db2.gz SBGROPMCFBDCKI-UHFFFAOYSA-N 0 0 196.225 1.418 10 0 ADAERN CCn1cc([C@@H](O)[C@H]2CC2(C)C)cn1 234215370 344714821 /nfs/dbraw/zinc/71/48/21/344714821.db2.gz PPLGAYTVPRAEBO-NXEZZACHSA-N 0 0 194.278 1.983 10 0 ADAERN CCc1nc(OC2CCC2)cc(=O)[nH]1 234193744 344714824 /nfs/dbraw/zinc/71/48/24/344714824.db2.gz ZJCDXGGQNXFTFO-UHFFFAOYSA-N 0 0 194.234 1.264 10 0 ADAERN CCn1cc([C@@H](N)C(F)F)cn1 234213979 344714846 /nfs/dbraw/zinc/71/48/46/344714846.db2.gz WKMGDILUBPUIKJ-ZCFIWIBFSA-N 0 0 175.182 1.168 10 0 ADAERN CCc1nc(-c2ccco2)cc(=O)[nH]1 234216110 344714876 /nfs/dbraw/zinc/71/48/76/344714876.db2.gz MHJMXVHRJRFJRA-UHFFFAOYSA-N 0 0 190.202 1.592 10 0 ADAERN CCc1n[nH]c([C@H]2CC2(C)C)n1 234200597 344714909 /nfs/dbraw/zinc/71/49/09/344714909.db2.gz OSYKMKJOPODPCO-ZCFIWIBFSA-N 0 0 165.240 1.881 10 0 ADAERN CCn1ccnc1CC1(O)CC(C)C1 234211748 344714915 /nfs/dbraw/zinc/71/49/15/344714915.db2.gz RIAKSSKWIRQMPG-UHFFFAOYSA-N 0 0 194.278 1.607 10 0 ADAERN CCc1nc(C2CC2)c(C)c(=O)[nH]1 234190644 344714927 /nfs/dbraw/zinc/71/49/27/344714927.db2.gz HLWBEAIYBDNWAO-UHFFFAOYSA-N 0 0 178.235 1.518 10 0 ADAERN CN(C)C(=O)c1cc(Cl)ncc1N 234213476 344714935 /nfs/dbraw/zinc/71/49/35/344714935.db2.gz AHGBCOJSZMMQJZ-UHFFFAOYSA-N 0 0 199.641 1.019 10 0 ADAERN CN(C)C(=O)C1=CC(=S)CS1 234214768 344714998 /nfs/dbraw/zinc/71/49/98/344714998.db2.gz IICLHNUISQXXCS-UHFFFAOYSA-N 0 0 187.289 1.739 10 0 ADAERN CCc1occc1C(=O)N1CCCO1 234193051 344715004 /nfs/dbraw/zinc/71/50/04/344715004.db2.gz MXMWZKJFEBHRPJ-UHFFFAOYSA-N 0 0 195.218 1.620 10 0 ADAERN CCc1cc2c(N)nc(N)nc2s1 234197172 344715013 /nfs/dbraw/zinc/71/50/13/344715013.db2.gz INEQKCHOCMAUTO-UHFFFAOYSA-N 0 0 194.263 1.418 10 0 ADAERN CCn1ccnc1C1(O)CC(C)C1 234205819 344715123 /nfs/dbraw/zinc/71/51/23/344715123.db2.gz QOWXWTGHJWJMHG-UHFFFAOYSA-N 0 0 180.251 1.521 10 0 ADAERN CCc1nc2c(c(=S)[nH]1)CCC2 234204931 344715137 /nfs/dbraw/zinc/71/51/37/344715137.db2.gz DBJOVBIUJFJTEF-UHFFFAOYSA-N 0 0 180.276 1.816 10 0 ADAERN CCn1cc([C@@H]2C[C@@H]2C(C)=O)cn1 234220812 344715565 /nfs/dbraw/zinc/71/55/65/344715565.db2.gz GNHFODBKDYCUAL-ZJUUUORDSA-N 0 0 178.235 1.596 10 0 ADAERN CCc1occc1[C@@H](C)NN 234229291 344715601 /nfs/dbraw/zinc/71/56/01/344715601.db2.gz QLKRMPPSXREBDB-ZCFIWIBFSA-N 0 0 154.213 1.366 10 0 ADAERN CCc1occc1C[NH2+]C 234219109 344715603 /nfs/dbraw/zinc/71/56/03/344715603.db2.gz VEMIVKLUOFWHPH-UHFFFAOYSA-N 0 0 139.198 1.561 10 0 ADAERN CC(C)=CCNC(=O)N(C)C 234237535 344715611 /nfs/dbraw/zinc/71/56/11/344715611.db2.gz FFJIDMUJYBVNAJ-UHFFFAOYSA-N 0 0 156.229 1.224 10 0 ADAERN CCn1cc([C@@H]2C[C@H]2C(C)=O)cn1 234221296 344715625 /nfs/dbraw/zinc/71/56/25/344715625.db2.gz GNHFODBKDYCUAL-UWVGGRQHSA-N 0 0 178.235 1.596 10 0 ADAERN CCn1ccnc1[C@H](N)C(F)F 234222391 344715628 /nfs/dbraw/zinc/71/56/28/344715628.db2.gz YECZISDNVVGBQF-RXMQYKEDSA-N 0 0 175.182 1.168 10 0 ADAERN CN(C)c1snc(N)c1C1CC1 234241769 344715803 /nfs/dbraw/zinc/71/58/03/344715803.db2.gz DOMVOUDJHUOHAI-UHFFFAOYSA-N 0 0 183.280 1.669 10 0 ADAERN Cc1cc(NN(C)C)c(N)cc1F 234246175 344715806 /nfs/dbraw/zinc/71/58/06/344715806.db2.gz NFFMRRBBCCOMTQ-UHFFFAOYSA-N 0 0 183.230 1.605 10 0 ADAERN CCn1cc([C@H](O)[C@H]2CC2(C)C)cn1 234253512 344715849 /nfs/dbraw/zinc/71/58/49/344715849.db2.gz PPLGAYTVPRAEBO-ZJUUUORDSA-N 0 0 194.278 1.983 10 0 ADAERN CN(c1nnc(N)o1)C1CCCC1 234241719 344715880 /nfs/dbraw/zinc/71/58/80/344715880.db2.gz GYIWIBVZUGWKMW-UHFFFAOYSA-N 0 0 182.227 1.031 10 0 ADAERN CN(C)Nc1nc(F)c(F)cc1F 234248944 344715884 /nfs/dbraw/zinc/71/58/84/344715884.db2.gz KEIVWLQTPILVMB-UHFFFAOYSA-N 0 0 191.156 1.387 10 0 ADAERN Cc1cccc(NN(C)C)c1N 234247778 344715887 /nfs/dbraw/zinc/71/58/87/344715887.db2.gz YCQKZBBSDHGOKB-UHFFFAOYSA-N 0 0 165.240 1.466 10 0 ADAERN Cc1nc(CN(C)C)[nH]c(=S)c1C 234242593 344715952 /nfs/dbraw/zinc/71/59/52/344715952.db2.gz JVJTZZPFURIIIB-UHFFFAOYSA-N 0 0 197.307 1.444 10 0 ADAERN CN(C)N[C@H]1C=CCCC1 234243277 344716024 /nfs/dbraw/zinc/71/60/24/344716024.db2.gz HWZBKOZMBLTHDS-QMMMGPOBSA-N 0 0 140.230 1.161 10 0 ADAERN Cc1cc(=S)[nH]c(CN(C)C)n1 234242675 344716074 /nfs/dbraw/zinc/71/60/74/344716074.db2.gz JACLJBITBSCLTE-UHFFFAOYSA-N 0 0 183.280 1.135 10 0 ADAERN CN(C)N[C@@H]1C=CCCC1 234244873 344716105 /nfs/dbraw/zinc/71/61/05/344716105.db2.gz HWZBKOZMBLTHDS-MRVPVSSYSA-N 0 0 140.230 1.161 10 0 ADAERN CN(C)c1ccccc1NC#N 234252682 344716110 /nfs/dbraw/zinc/71/61/10/344716110.db2.gz ATRPTNYKBSJYJB-UHFFFAOYSA-N 0 0 161.208 1.646 10 0 ADAERN Cc1c(N)nsc1N(C)C 234241617 344716112 /nfs/dbraw/zinc/71/61/12/344716112.db2.gz LZMROXAGXQRYIJ-UHFFFAOYSA-N 0 0 157.242 1.100 10 0 ADAERN CCn1cc([C@H](O)[C@@H]2CC2(C)C)cn1 234253084 344716136 /nfs/dbraw/zinc/71/61/36/344716136.db2.gz PPLGAYTVPRAEBO-UWVGGRQHSA-N 0 0 194.278 1.983 10 0 ADAERN CCn1cc([C@H]2N[C@@H](C)CS2)cn1 234257786 344716314 /nfs/dbraw/zinc/71/63/14/344716314.db2.gz VJCNJVWAPPPGCG-CBAPKCEASA-N 0 0 197.307 1.627 10 0 ADAERN CN(C)c1cc(N)cc(Cl)n1 234264951 344716326 /nfs/dbraw/zinc/71/63/26/344716326.db2.gz IQLZJJJSUSXKNA-UHFFFAOYSA-N 0 0 171.631 1.383 10 0 ADAERN Cc1cc(N(C)CCO)c(N)cc1F 234266399 344716363 /nfs/dbraw/zinc/71/63/63/344716363.db2.gz KKUOYMUFVODFSZ-UHFFFAOYSA-N 0 0 198.241 1.145 10 0 ADAERN Cc1cc(N(C)C)c(N)cc1F 234264316 344716365 /nfs/dbraw/zinc/71/63/65/344716365.db2.gz SRWZONFUMTUNMP-UHFFFAOYSA-N 0 0 168.215 1.782 10 0 ADAERN CCn1cc(-c2ncsc2N)cn1 234270392 344716367 /nfs/dbraw/zinc/71/63/67/344716367.db2.gz RUIZVIBLPZRGBQ-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN CCn1cc(C2=NC(=S)OC2)cn1 234266027 344716377 /nfs/dbraw/zinc/71/63/77/344716377.db2.gz DZSNOXBVPGUECP-UHFFFAOYSA-N 0 0 195.247 1.847 10 0 ADAERN CCn1cc(-c2cccc(=O)[nH]2)cn1 234264575 344716390 /nfs/dbraw/zinc/71/63/90/344716390.db2.gz ORCXMNXGDUTYRV-UHFFFAOYSA-N 0 0 189.218 1.258 10 0 ADAERN CN(c1ncccc1C=O)C1CCC1 234268607 344716400 /nfs/dbraw/zinc/71/64/00/344716400.db2.gz ZFDROJLMQFWDEJ-UHFFFAOYSA-N 0 0 190.246 1.883 10 0 ADAERN Cc1ccc(N(C)C)c(C(N)=S)c1 234272205 344716419 /nfs/dbraw/zinc/71/64/19/344716419.db2.gz BHIVSGUHTGUXTF-UHFFFAOYSA-N 0 0 194.303 1.695 10 0 ADAERN CN(c1ccc(N)c(N)c1)C1CC1 234263589 344716428 /nfs/dbraw/zinc/71/64/28/344716428.db2.gz BVKQUKUYBPRSNM-UHFFFAOYSA-N 0 0 177.251 1.450 10 0 ADAERN CCn1cc([C@H]2NCCCS2)cn1 234257536 344716438 /nfs/dbraw/zinc/71/64/38/344716438.db2.gz ZDXOSTUVDHFTDG-VIFPVBQESA-N 0 0 197.307 1.628 10 0 ADAERN CCn1cc([C@H]2C[C@H]2C(C)=O)cn1 234257160 344716453 /nfs/dbraw/zinc/71/64/53/344716453.db2.gz GNHFODBKDYCUAL-VHSXEESVSA-N 0 0 178.235 1.596 10 0 ADAERN CN(c1cc(N)cc(Cl)n1)C1CC1 234260834 344716469 /nfs/dbraw/zinc/71/64/69/344716469.db2.gz MLSMQPDWHJHJEC-UHFFFAOYSA-N 0 0 197.669 1.916 10 0 ADAERN CN(C)c1nc2c(c(=S)[nH]1)CCC2 234267874 344716488 /nfs/dbraw/zinc/71/64/88/344716488.db2.gz JSONIWKDQUYVFB-UHFFFAOYSA-N 0 0 195.291 1.320 10 0 ADAERN CCn1cc(-c2cc(CO)on2)cn1 234261952 344716494 /nfs/dbraw/zinc/71/64/94/344716494.db2.gz YPVKTEDARSIRPD-UHFFFAOYSA-N 0 0 193.206 1.050 10 0 ADAERN CCn1cc([C@H]2N[C@H](C)CS2)cn1 234257833 344716530 /nfs/dbraw/zinc/71/65/30/344716530.db2.gz VJCNJVWAPPPGCG-APPZFPTMSA-N 0 0 197.307 1.627 10 0 ADAERN Cc1c(N)nsc1N(C)C1CC1 234267017 344716533 /nfs/dbraw/zinc/71/65/33/344716533.db2.gz XOJJHDOOMFGOPF-UHFFFAOYSA-N 0 0 183.280 1.632 10 0 ADAERN CCn1cc(-c2nsc(N)n2)cn1 234270659 344716535 /nfs/dbraw/zinc/71/65/35/344716535.db2.gz QCQBRFZULBIFGU-UHFFFAOYSA-N 0 0 195.251 1.004 10 0 ADAERN CCn1cc([C@H]2NCCS2)cn1 234257580 344716536 /nfs/dbraw/zinc/71/65/36/344716536.db2.gz FBSCXUMKNLRBBP-QMMMGPOBSA-N 0 0 183.280 1.238 10 0 ADAERN CCn1cc(-c2noc(Cl)n2)cn1 234270638 344716539 /nfs/dbraw/zinc/71/65/39/344716539.db2.gz FUXKXADIURFXHK-UHFFFAOYSA-N 0 0 198.613 1.606 10 0 ADAERN CCn1cc(-c2ccoc2C=O)cn1 234264970 344716561 /nfs/dbraw/zinc/71/65/61/344716561.db2.gz OSJLUJVPLAKMIJ-UHFFFAOYSA-N 0 0 190.202 1.976 10 0 ADAERN CCn1cc([C@H]2NC[C@@H](C)S2)cn1 234257699 344716569 /nfs/dbraw/zinc/71/65/69/344716569.db2.gz UYTLRYONOHYBID-APPZFPTMSA-N 0 0 197.307 1.627 10 0 ADAERN CCn1cc([C@H]2C[C@@H]2C(C)=O)cn1 234256844 344716601 /nfs/dbraw/zinc/71/66/01/344716601.db2.gz GNHFODBKDYCUAL-NXEZZACHSA-N 0 0 178.235 1.596 10 0 ADAERN CCn1cc([C@H]2NC[C@H](C)S2)cn1 234257731 344716610 /nfs/dbraw/zinc/71/66/10/344716610.db2.gz UYTLRYONOHYBID-CBAPKCEASA-N 0 0 197.307 1.627 10 0 ADAERN CN(C)c1nc(C2CC2)cc(=S)[nH]1 234267950 344716617 /nfs/dbraw/zinc/71/66/17/344716617.db2.gz GZHGCVBXIIOFAG-UHFFFAOYSA-N 0 0 195.291 1.709 10 0 ADAERN CN(C)c1c(F)cccc1CO 234263509 344716620 /nfs/dbraw/zinc/71/66/20/344716620.db2.gz ASBHUKPMXSKDGU-UHFFFAOYSA-N 0 0 169.199 1.384 10 0 ADAERN CN(CC1CCC1)c1cc(N)ns1 234268840 344716622 /nfs/dbraw/zinc/71/66/22/344716622.db2.gz UHJUCFZGBLJRRY-UHFFFAOYSA-N 0 0 197.307 1.962 10 0 ADAERN CN(c1cc(N)ns1)C1CC1 234260916 344716625 /nfs/dbraw/zinc/71/66/25/344716625.db2.gz HHUPYYYXOOODKA-UHFFFAOYSA-N 0 0 169.253 1.324 10 0 ADAERN CC(=O)c1sc(N(C)C)cc1N 234264897 344716628 /nfs/dbraw/zinc/71/66/28/344716628.db2.gz IJIKDXYTHLDLIY-UHFFFAOYSA-N 0 0 184.264 1.599 10 0 ADAERN CCc1occc1-c1n[nH]c(C)n1 234302914 344716739 /nfs/dbraw/zinc/71/67/39/344716739.db2.gz KLWOVWPHBJLTMI-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN CCc1occc1-c1nc(N)ns1 234303381 344716751 /nfs/dbraw/zinc/71/67/51/344716751.db2.gz NRPBHGKCBOHTPB-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CN(C)c1nc(N)nc2sccc12 234287641 344716767 /nfs/dbraw/zinc/71/67/67/344716767.db2.gz ABGUNVSPLVOZLV-UHFFFAOYSA-N 0 0 194.263 1.340 10 0 ADAERN CN(C)c1nc(N)c(F)cc1F 234287122 344716792 /nfs/dbraw/zinc/71/67/92/344716792.db2.gz XVJDMHFFVCLLQW-UHFFFAOYSA-N 0 0 173.166 1.008 10 0 ADAERN CN(C)c1ncccc1NC1CC1 234290782 344716797 /nfs/dbraw/zinc/71/67/97/344716797.db2.gz TXWHVXOKRZRNLG-UHFFFAOYSA-N 0 0 177.251 1.722 10 0 ADAERN Cc1nc(N(C)C)[nH]c(=S)c1C 234286139 344716803 /nfs/dbraw/zinc/71/68/03/344716803.db2.gz INFKVYMRLPWYMT-UHFFFAOYSA-N 0 0 183.280 1.448 10 0 ADAERN CN(C)c1nc(F)c(F)cc1F 234286919 344716811 /nfs/dbraw/zinc/71/68/11/344716811.db2.gz MKPXJXKSDGQJQK-UHFFFAOYSA-N 0 0 176.141 1.565 10 0 ADAERN CN1CCSC[C@@H]1C(=O)C1CCC1 234306498 344716884 /nfs/dbraw/zinc/71/68/84/344716884.db2.gz JZQNEWYOUSIXTA-SECBINFHSA-N 0 0 199.319 1.403 10 0 ADAERN CCc1occc1-c1nc(N)no1 234303366 344716892 /nfs/dbraw/zinc/71/68/92/344716892.db2.gz BQCMLTOSSYPGRR-UHFFFAOYSA-N 0 0 179.179 1.474 10 0 ADAERN CCc1occc1[C@H](C)NN 234276887 344716933 /nfs/dbraw/zinc/71/69/33/344716933.db2.gz QLKRMPPSXREBDB-LURJTMIESA-N 0 0 154.213 1.366 10 0 ADAERN CN1CCSC[C@@H]1C(=O)C1CC1 234306481 344716968 /nfs/dbraw/zinc/71/69/68/344716968.db2.gz RBKCXEBUGSAHHB-MRVPVSSYSA-N 0 0 185.292 1.013 10 0 ADAERN CCc1occc1-c1nnc(N)o1 234305042 344717017 /nfs/dbraw/zinc/71/70/17/344717017.db2.gz RKWDDGXMHCIFKE-UHFFFAOYSA-N 0 0 179.179 1.474 10 0 ADAERN CN1CCSC[C@@H]1C(=O)CC1CC1 234306641 344717032 /nfs/dbraw/zinc/71/70/32/344717032.db2.gz NVZGWZSFKMNGDP-SECBINFHSA-N 0 0 199.319 1.403 10 0 ADAERN CCc1occc1-c1nc(N)n[nH]1 234305008 344717060 /nfs/dbraw/zinc/71/70/60/344717060.db2.gz QSBIVFNRULWREM-UHFFFAOYSA-N 0 0 178.195 1.209 10 0 ADAERN CCc1occc1C1N=NC(=S)N1 234305089 344717080 /nfs/dbraw/zinc/71/70/80/344717080.db2.gz AVXLADPFDGBKLP-UHFFFAOYSA-N 0 0 195.247 1.916 10 0 ADAERN CCc1occc1-c1nnc(N)s1 234305055 344717084 /nfs/dbraw/zinc/71/70/84/344717084.db2.gz GEDKFPRPYQJYSU-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CCc1[nH]c([C@H]2CCCO2)nc1O 234314978 344717191 /nfs/dbraw/zinc/71/71/91/344717191.db2.gz HUDMSBCVXFDBMR-SSDOTTSWSA-N 0 0 182.223 1.529 10 0 ADAERN CCc1[nH]c([C@@]2(C)CCCO2)nc1O 234314813 344717208 /nfs/dbraw/zinc/71/72/08/344717208.db2.gz HHOAEZUBCDXKNH-SNVBAGLBSA-N 0 0 196.250 1.703 10 0 ADAERN CCc1[nH]c(C[C@@H]2CCOC2)nc1O 234313703 344717213 /nfs/dbraw/zinc/71/72/13/344717213.db2.gz YGMPKSKGYZLOQY-ZETCQYMHSA-N 0 0 196.250 1.257 10 0 ADAERN CCc1[nH]c([C@]2(C)CCCO2)nc1O 234315308 344717281 /nfs/dbraw/zinc/71/72/81/344717281.db2.gz HHOAEZUBCDXKNH-JTQLQIEISA-N 0 0 196.250 1.703 10 0 ADAERN CCc1[nH]c([C@@H]2CCCO2)nc1O 234314487 344717360 /nfs/dbraw/zinc/71/73/60/344717360.db2.gz HUDMSBCVXFDBMR-ZETCQYMHSA-N 0 0 182.223 1.529 10 0 ADAERN CN(c1ccccc1)c1nnc(N)o1 234317473 344717367 /nfs/dbraw/zinc/71/73/67/344717367.db2.gz XFTFASBIKIEYAH-UHFFFAOYSA-N 0 0 190.206 1.420 10 0 ADAERN CCc1[nH]c(-c2cncs2)nc1O 234317263 344717372 /nfs/dbraw/zinc/71/73/72/344717372.db2.gz KTIPVAKPSDHSJQ-UHFFFAOYSA-N 0 0 195.247 1.801 10 0 ADAERN CCc1[nH]c(CC2CC2)nc1O 234313355 344717380 /nfs/dbraw/zinc/71/73/80/344717380.db2.gz KSICOJLWBXRFBC-UHFFFAOYSA-N 0 0 166.224 1.630 10 0 ADAERN CCc1[nH]c(C[C@H]2CCOC2)nc1O 234313761 344717441 /nfs/dbraw/zinc/71/74/41/344717441.db2.gz YGMPKSKGYZLOQY-SSDOTTSWSA-N 0 0 196.250 1.257 10 0 ADAERN C[N@@H+]1CCCC(C)(C)[C@H]1C(=O)[O-] 234329804 344717494 /nfs/dbraw/zinc/71/74/94/344717494.db2.gz JMCGFRCKRZCMCS-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN CN1CCSC[C@H]1C(=O)C1CC1 234343730 344717865 /nfs/dbraw/zinc/71/78/65/344717865.db2.gz RBKCXEBUGSAHHB-QMMMGPOBSA-N 0 0 185.292 1.013 10 0 ADAERN Cc1cc2c(cc1F)NCCN2C 234345144 344717895 /nfs/dbraw/zinc/71/78/95/344717895.db2.gz MBOWSKSKGDCWOG-UHFFFAOYSA-N 0 0 180.226 1.996 10 0 ADAERN CN1CCSC[C@H]1C(=O)C1CCC1 234343741 344717944 /nfs/dbraw/zinc/71/79/44/344717944.db2.gz JZQNEWYOUSIXTA-VIFPVBQESA-N 0 0 199.319 1.403 10 0 ADAERN CN1CCSC[C@H]1C(=O)CC1CC1 234343847 344718013 /nfs/dbraw/zinc/71/80/13/344718013.db2.gz NVZGWZSFKMNGDP-VIFPVBQESA-N 0 0 199.319 1.403 10 0 ADAERN CNC(=O)C1=CC(=S)CS1 234358723 344718672 /nfs/dbraw/zinc/71/86/72/344718672.db2.gz CSLLMULSWZAOPA-UHFFFAOYSA-N 0 0 173.262 1.396 10 0 ADAERN CNC1(C(F)F)CC1 234349232 344718704 /nfs/dbraw/zinc/71/87/04/344718704.db2.gz ATUNYOKCHADMFE-UHFFFAOYSA-N 0 0 121.130 1.004 10 0 ADAERN CNC1(C(F)F)CC(OC)C1 234349212 344718713 /nfs/dbraw/zinc/71/87/13/344718713.db2.gz HIKHWDHQWLGDGM-UHFFFAOYSA-N 0 0 165.183 1.019 10 0 ADAERN CNC1(C(F)(F)F)CC(C)C1 234349036 344718730 /nfs/dbraw/zinc/71/87/30/344718730.db2.gz YWKICSAGCUDGNH-UHFFFAOYSA-N 0 0 167.174 1.937 10 0 ADAERN CNC1(C(F)F)CC(C)C1 234349190 344718732 /nfs/dbraw/zinc/71/87/32/344718732.db2.gz IYDYWJNFYFMVII-UHFFFAOYSA-N 0 0 149.184 1.640 10 0 ADAERN CNC(=O)c1cc(N)cc(C)c1F 234354465 344718838 /nfs/dbraw/zinc/71/88/38/344718838.db2.gz QSHOOHHABSIUES-UHFFFAOYSA-N 0 0 182.198 1.076 10 0 ADAERN CNC(=O)[C@H](C)c1cccc(N)c1 234362223 344719345 /nfs/dbraw/zinc/71/93/45/344719345.db2.gz FOTRBWRINWIWPO-SSDOTTSWSA-N 0 0 178.235 1.118 10 0 ADAERN C[NH2+]Cc1ccc(C2CC2)o1 234378158 344719354 /nfs/dbraw/zinc/71/93/54/344719354.db2.gz APTSWINYWYIITM-UHFFFAOYSA-N 0 0 151.209 1.876 10 0 ADAERN CNC(=S)NC(C)(C)C1CC1 234366429 344719380 /nfs/dbraw/zinc/71/93/80/344719380.db2.gz OMIZHMZDOWKXGE-UHFFFAOYSA-N 0 0 172.297 1.269 10 0 ADAERN CN[C@H](c1cncnc1)C(F)F 234413386 344720164 /nfs/dbraw/zinc/72/01/64/344720164.db2.gz GYQPKFQRKXXKGZ-ZCFIWIBFSA-N 0 0 173.166 1.002 10 0 ADAERN CN[C@H](c1cncc(F)c1)C(F)F 234413212 344720241 /nfs/dbraw/zinc/72/02/41/344720241.db2.gz RAQGYUDVTOILHM-SSDOTTSWSA-N 0 0 190.168 1.746 10 0 ADAERN CN[C@H](C1=CCCO1)C(F)F 234409772 344720371 /nfs/dbraw/zinc/72/03/71/344720371.db2.gz LIXHAEILDWUBRJ-ZCFIWIBFSA-N 0 0 163.167 1.144 10 0 ADAERN CN[C@@H](C=C(C)C)C(F)F 234427656 344720446 /nfs/dbraw/zinc/72/04/46/344720446.db2.gz HNIAQMFJKWRYES-LURJTMIESA-N 0 0 149.184 1.806 10 0 ADAERN CN[C@@]1(C(=O)OC)CC(C)(C)C[C@H]1C 234438876 344720894 /nfs/dbraw/zinc/72/08/94/344720894.db2.gz SLATXFHFNZBOLW-KCJUWKMLSA-N 0 0 199.294 1.574 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CC(C)(C)C[C@@H]1C 234448034 344720975 /nfs/dbraw/zinc/72/09/75/344720975.db2.gz MNIDRNWPBXXSBV-XVKPBYJWSA-N 0 0 185.267 1.485 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CC(C)(C)C[C@H]1C 234448059 344720986 /nfs/dbraw/zinc/72/09/86/344720986.db2.gz MNIDRNWPBXXSBV-XCBNKYQSSA-N 0 0 185.267 1.485 10 0 ADAERN CN[C@@]1(C(=O)OC)CC(C)(C)C[C@@H]1C 234438835 344721002 /nfs/dbraw/zinc/72/10/02/344721002.db2.gz SLATXFHFNZBOLW-KWQFWETISA-N 0 0 199.294 1.574 10 0 ADAERN CN[C@@H](c1cncnc1)C(F)F 234467910 344721346 /nfs/dbraw/zinc/72/13/46/344721346.db2.gz GYQPKFQRKXXKGZ-LURJTMIESA-N 0 0 173.166 1.002 10 0 ADAERN CN[C@@H](C1=CCCO1)C(F)F 234464719 344721416 /nfs/dbraw/zinc/72/14/16/344721416.db2.gz LIXHAEILDWUBRJ-LURJTMIESA-N 0 0 163.167 1.144 10 0 ADAERN CN[C@@H](c1cn(C)cn1)c1ccco1 234459760 344721428 /nfs/dbraw/zinc/72/14/28/344721428.db2.gz KPFBWUIFWMIJBT-JTQLQIEISA-N 0 0 191.234 1.322 10 0 ADAERN CN[C@@H](c1cncc(F)c1)C(F)F 234467762 344721492 /nfs/dbraw/zinc/72/14/92/344721492.db2.gz RAQGYUDVTOILHM-ZETCQYMHSA-N 0 0 190.168 1.746 10 0 ADAERN CN[C@H](C=C(C)C)C(F)F 234477104 344721513 /nfs/dbraw/zinc/72/15/13/344721513.db2.gz HNIAQMFJKWRYES-ZCFIWIBFSA-N 0 0 149.184 1.806 10 0 ADAERN CN[C@]1(C(=O)OC)CC(C)(C)C[C@H]1C 234501769 344721730 /nfs/dbraw/zinc/72/17/30/344721730.db2.gz SLATXFHFNZBOLW-LDYMZIIASA-N 0 0 199.294 1.574 10 0 ADAERN CNc1cc(N)cc(Cl)n1 234496440 344721755 /nfs/dbraw/zinc/72/17/55/344721755.db2.gz NMAOZYNHATVSKH-UHFFFAOYSA-N 0 0 157.604 1.359 10 0 ADAERN CNc1nnc([C@H]2CC2(C)C)n1C 234496454 344721791 /nfs/dbraw/zinc/72/17/91/344721791.db2.gz KUZBSCQMGLXHFZ-ZCFIWIBFSA-N 0 0 180.255 1.370 10 0 ADAERN CNc1cc(N)c(C(C)=O)s1 234496360 344721804 /nfs/dbraw/zinc/72/18/04/344721804.db2.gz ZEOCPUOABRLINF-UHFFFAOYSA-N 0 0 170.237 1.575 10 0 ADAERN CNc1cc(N)c(C(=O)N(C)C)s1 234496270 344721822 /nfs/dbraw/zinc/72/18/22/344721822.db2.gz RXSGLXYUCRRFPU-UHFFFAOYSA-N 0 0 199.279 1.074 10 0 ADAERN CN[C@]1(C(=O)OC)CC(C)(C)C[C@@H]1C 234501732 344721863 /nfs/dbraw/zinc/72/18/63/344721863.db2.gz SLATXFHFNZBOLW-GZMMTYOYSA-N 0 0 199.294 1.574 10 0 ADAERN COC(=O)[C@@H]1CC(C)(C)OC1(C)C 234524963 344722101 /nfs/dbraw/zinc/72/21/01/344722101.db2.gz VHLZTGORSWHKMO-ZETCQYMHSA-N 0 0 186.251 1.753 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC(C)(C)C[C@H]1C 234510820 344722184 /nfs/dbraw/zinc/72/21/84/344722184.db2.gz MNIDRNWPBXXSBV-GMSGAONNSA-N 0 0 185.267 1.485 10 0 ADAERN CNc1nc(=O)c2cc(C)sc2[nH]1 234527344 344722227 /nfs/dbraw/zinc/72/22/27/344722227.db2.gz VRXRVMHZKMVHPT-UHFFFAOYSA-N 0 0 195.247 1.747 10 0 ADAERN CNc1nc(N)c2ccsc2n1 234524054 344722257 /nfs/dbraw/zinc/72/22/57/344722257.db2.gz OCWULANVTWFVOS-UHFFFAOYSA-N 0 0 180.236 1.315 10 0 ADAERN CNc1nc(N)c2cc(C)sc2n1 234524007 344722278 /nfs/dbraw/zinc/72/22/78/344722278.db2.gz OYIKHOOECWRLLZ-UHFFFAOYSA-N 0 0 194.263 1.624 10 0 ADAERN CN[C@H](c1cn(C)cn1)c1ccco1 234517503 344722283 /nfs/dbraw/zinc/72/22/83/344722283.db2.gz KPFBWUIFWMIJBT-SNVBAGLBSA-N 0 0 191.234 1.322 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CC(C)(C)C[C@@H]1C 234510792 344722382 /nfs/dbraw/zinc/72/23/82/344722382.db2.gz MNIDRNWPBXXSBV-OIBJUYFYSA-N 0 0 185.267 1.485 10 0 ADAERN CNc1nc(=NN)[nH]c2sccc12 234551393 344722653 /nfs/dbraw/zinc/72/26/53/344722653.db2.gz FALSNTKGBLYGDM-UHFFFAOYSA-N 0 0 195.251 1.019 10 0 ADAERN CNc1nc(N)nc2sccc12 234541207 344722691 /nfs/dbraw/zinc/72/26/91/344722691.db2.gz YHJLJAUAFFVSBY-UHFFFAOYSA-N 0 0 180.236 1.315 10 0 ADAERN COC(=O)C=CNC1(C)CCCCC1 234559017 344722705 /nfs/dbraw/zinc/72/27/05/344722705.db2.gz LGDHCSKLVVMYLD-RMKNXTFCSA-N 0 0 197.278 1.986 10 0 ADAERN CNc1nc(N(C)C)c(F)cc1F 234536363 344722715 /nfs/dbraw/zinc/72/27/15/344722715.db2.gz DNYHIKXABLNZFQ-UHFFFAOYSA-N 0 0 187.193 1.468 10 0 ADAERN CNc1ccc(C)cc1C(N)=S 234541235 344722732 /nfs/dbraw/zinc/72/27/32/344722732.db2.gz BLSXANBWENYZND-UHFFFAOYSA-N 0 0 180.276 1.671 10 0 ADAERN CNc1nc(OC)c2ccsc2n1 234530796 344722754 /nfs/dbraw/zinc/72/27/54/344722754.db2.gz KJPWXSQXWXJEMM-UHFFFAOYSA-N 0 0 195.247 1.742 10 0 ADAERN CNc1nc(NC)c2ccsc2n1 234538292 344722778 /nfs/dbraw/zinc/72/27/78/344722778.db2.gz LJQBWOVQTMKIJM-UHFFFAOYSA-N 0 0 194.263 1.775 10 0 ADAERN CNc1nc(=O)c2ccsc2[nH]1 234527382 344722796 /nfs/dbraw/zinc/72/27/96/344722796.db2.gz CERINOFGQMZUDY-UHFFFAOYSA-N 0 0 181.220 1.439 10 0 ADAERN CNc1snc(N)c1C 234546476 344722799 /nfs/dbraw/zinc/72/27/99/344722799.db2.gz JUJAKTUYJWCKLT-UHFFFAOYSA-N 0 0 143.215 1.075 10 0 ADAERN COC(=O)c1cnc(NC(C)C)cn1 234555426 344722809 /nfs/dbraw/zinc/72/28/09/344722809.db2.gz VFVFFLDHYVOUGM-UHFFFAOYSA-N 0 0 195.222 1.084 10 0 ADAERN CNc1[nH]c(=O)c(F)cc1F 234555394 344722825 /nfs/dbraw/zinc/72/28/25/344722825.db2.gz BQLPTHDLSSAFBA-UHFFFAOYSA-N 0 0 160.123 1.107 10 0 ADAERN COC(=O)[C@@H](O)C1=CCCCCC1 234558874 344722837 /nfs/dbraw/zinc/72/28/37/344722837.db2.gz VANZNNQJKLXNRR-VIFPVBQESA-N 0 0 184.235 1.411 10 0 ADAERN COC(=O)[C@@H](C)NC1CC(C(C)C)C1 234532295 344722848 /nfs/dbraw/zinc/72/28/48/344722848.db2.gz HYIZYJOIIJLBIM-XNWIYYODSA-N 0 0 199.294 1.572 10 0 ADAERN COC(C)(C)C(=O)N[C@@H]1CC[C@H](C)C1 234562245 344722854 /nfs/dbraw/zinc/72/28/54/344722854.db2.gz UHLXJXUHFBUWET-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN CNc1snc(N)c1SC 234546885 344722865 /nfs/dbraw/zinc/72/28/65/344722865.db2.gz DLJWYSRXHMKFSH-UHFFFAOYSA-N 0 0 175.282 1.489 10 0 ADAERN COC(=O)[C@H](C)Nc1ccc(F)nc1 234551102 344722881 /nfs/dbraw/zinc/72/28/81/344722881.db2.gz AMIASCPWVBKUNB-LURJTMIESA-N 0 0 198.197 1.194 10 0 ADAERN COC(C)(C)C(=O)N[C@H]1CC[C@H](C)C1 234563530 344722927 /nfs/dbraw/zinc/72/29/27/344722927.db2.gz UHLXJXUHFBUWET-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN COC(=O)[C@@H](C)Nc1ccc(F)nc1 234546872 344722930 /nfs/dbraw/zinc/72/29/30/344722930.db2.gz AMIASCPWVBKUNB-ZCFIWIBFSA-N 0 0 198.197 1.194 10 0 ADAERN COC(=O)[C@H](O)C1=CCCCCC1 234562489 344722932 /nfs/dbraw/zinc/72/29/32/344722932.db2.gz VANZNNQJKLXNRR-SECBINFHSA-N 0 0 184.235 1.411 10 0 ADAERN CNc1nc(N)nc2sc(C)cc12 234541165 344722973 /nfs/dbraw/zinc/72/29/73/344722973.db2.gz JEGWOXXITKOBCN-UHFFFAOYSA-N 0 0 194.263 1.624 10 0 ADAERN COC(=O)Nc1ccc(O)cc1N 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DRDBCODHKOUQKP-LURJTMIESA-N 0 0 198.270 1.746 10 0 ADAERN CS[C@@H]1CCCC[C@H]1NC=O 235178867 344735049 /nfs/dbraw/zinc/73/50/49/344735049.db2.gz KKROBFLSTIPGAS-HTQZYQBOSA-N 0 0 173.281 1.407 10 0 ADAERN C[C@@H](N)c1nnc(N[C@H](C)C2CC2)o1 235158824 344734917 /nfs/dbraw/zinc/73/49/17/344734917.db2.gz SSSXFCAYFQWEGA-PHDIDXHHSA-N 0 0 196.254 1.300 10 0 ADAERN C[C@@H](N)c1ncc(-c2cn(C)cn2)o1 235187732 344734973 /nfs/dbraw/zinc/73/49/73/344734973.db2.gz LMNRTTLGNQIXBF-ZCFIWIBFSA-N 0 0 192.222 1.095 10 0 ADAERN CS[C@@H]1CC[C@H](n2cc[nH]c2=O)C1 235184588 344735001 /nfs/dbraw/zinc/73/50/01/344735001.db2.gz PNNGQNWXQNHOBD-JGVFFNPUSA-N 0 0 198.291 1.633 10 0 ADAERN C[C@@H](NN)C1(C)CCCCC1 235202846 344735523 /nfs/dbraw/zinc/73/55/23/344735523.db2.gz LDXHWCQVOIJAMS-MRVPVSSYSA-N 0 0 156.273 1.809 10 0 ADAERN C[C@@H](N)c1ncc(-c2cncs2)o1 235187920 344735237 /nfs/dbraw/zinc/73/52/37/344735237.db2.gz DHIDZUFYGUIDGY-RXMQYKEDSA-N 0 0 195.247 1.818 10 0 ADAERN CS[C@@H]1CCC[C@@H]1NC=O 235159078 344735275 /nfs/dbraw/zinc/73/52/75/344735275.db2.gz YLMBVPATUANFGD-NKWVEPMBSA-N 0 0 159.254 1.017 10 0 ADAERN Cc1cc(C)c([C@@H](C)NN)c(F)c1 235203789 344735424 /nfs/dbraw/zinc/73/54/24/344735424.db2.gz UGFRXDJDWSRNOA-MRVPVSSYSA-N 0 0 182.242 1.967 10 0 ADAERN C[C@@H](NN)C1=CCCCCC1 235202922 344735449 /nfs/dbraw/zinc/73/54/49/344735449.db2.gz LKZTZUBVLZNLRA-MRVPVSSYSA-N 0 0 154.257 1.729 10 0 ADAERN C[C@@H](NC(=O)C(F)F)C(C)(C)C 235208780 344735500 /nfs/dbraw/zinc/73/55/00/344735500.db2.gz BPRSSEHXKJSQAZ-RXMQYKEDSA-N 0 0 179.210 1.802 10 0 ADAERN C[C@@H](NN)c1ncccc1Cl 235205354 344735508 /nfs/dbraw/zinc/73/55/08/344735508.db2.gz ZIQJOBMECYDXBS-RXMQYKEDSA-N 0 0 171.631 1.259 10 0 ADAERN C[C@@H](NN)c1ccc(Cl)o1 235204619 344735510 /nfs/dbraw/zinc/73/55/10/344735510.db2.gz BYBPOQLXIPKKGJ-SCSAIBSYSA-N 0 0 160.604 1.457 10 0 ADAERN C[C@@H](N)c1nnc(NC2(C)CC2)o1 235196742 344735512 /nfs/dbraw/zinc/73/55/12/344735512.db2.gz PLBOGAPEGWXIPH-RXMQYKEDSA-N 0 0 182.227 1.054 10 0 ADAERN C[C@@H](NN)c1csc(Cl)c1 235205287 344735554 /nfs/dbraw/zinc/73/55/54/344735554.db2.gz PTRQQRKYQFJOQM-SCSAIBSYSA-N 0 0 176.672 1.926 10 0 ADAERN C[C@@H](NC(=O)C(C)(C)O)c1ccco1 235201346 344735594 /nfs/dbraw/zinc/73/55/94/344735594.db2.gz SJMBHJZPSYMMIY-SSDOTTSWSA-N 0 0 197.234 1.228 10 0 ADAERN C[C@@H](N)c1nnc(NC(C)(C)C)o1 235195991 344735638 /nfs/dbraw/zinc/73/56/38/344735638.db2.gz ZRDSDWWLKDDBQA-RXMQYKEDSA-N 0 0 184.243 1.300 10 0 ADAERN C[C@@H](NN)C1=CCCCC1 235202895 344735654 /nfs/dbraw/zinc/73/56/54/344735654.db2.gz BLBMIOXEVCLEJK-SSDOTTSWSA-N 0 0 140.230 1.339 10 0 ADAERN C[C@H](Nc1nnc([C@@H](C)N)o1)C1CC1 235204584 344735659 /nfs/dbraw/zinc/73/56/59/344735659.db2.gz SSSXFCAYFQWEGA-RITPCOANSA-N 0 0 196.254 1.300 10 0 ADAERN C[C@@H](N)c1nnc(NC2CCC2)o1 235197154 344735732 /nfs/dbraw/zinc/73/57/32/344735732.db2.gz UYOPOZZUSANWHI-RXMQYKEDSA-N 0 0 182.227 1.054 10 0 ADAERN C[C@@H](NN)c1ccoc1Cl 235205080 344735749 /nfs/dbraw/zinc/73/57/49/344735749.db2.gz XVKQRYNUCVVOIH-SCSAIBSYSA-N 0 0 160.604 1.457 10 0 ADAERN C[C@@H](N)c1nnc(NCC(C)(C)C)o1 235196160 344735756 /nfs/dbraw/zinc/73/57/56/344735756.db2.gz UOIAIEPQKXZOBF-ZCFIWIBFSA-N 0 0 198.270 1.547 10 0 ADAERN C[C@@H](NO)c1cc(O)cc(O)c1 235209091 344735954 /nfs/dbraw/zinc/73/59/54/344735954.db2.gz NPXCSPZXXNLIMV-RXMQYKEDSA-N 0 0 169.180 1.138 10 0 ADAERN CS[C@H]1CCC[C@H](NC=O)C1 235217171 344736026 /nfs/dbraw/zinc/73/60/26/344736026.db2.gz XTLBIOKEIUAXOA-YUMQZZPRSA-N 0 0 173.281 1.407 10 0 ADAERN Cc1cc(NC(=O)CC[C@@H](C)O)on1 235220611 344736182 /nfs/dbraw/zinc/73/61/82/344736182.db2.gz OIPZVBBOCFJVGU-SSDOTTSWSA-N 0 0 198.222 1.083 10 0 ADAERN Cc1cnnc(NC(C)(C)[C@@H](C)O)c1 235224293 344736142 /nfs/dbraw/zinc/73/61/42/344736142.db2.gz BUJXKBVQRVYXDC-MRVPVSSYSA-N 0 0 195.266 1.356 10 0 ADAERN C[C@@H](NO)c1ccc(O)cc1F 235209200 344736163 /nfs/dbraw/zinc/73/61/63/344736163.db2.gz GXQJXIHDCGYLKJ-RXMQYKEDSA-N 0 0 171.171 1.571 10 0 ADAERN CS[C@@H]1CCC[C@H](NC#N)C1 235223539 344736224 /nfs/dbraw/zinc/73/62/24/344736224.db2.gz RYLAQXXSGGMVCN-JGVFFNPUSA-N 0 0 170.281 1.731 10 0 ADAERN CS[C@@H]1CCC[C@@H]1n1cc[nH]c1=O 235220923 344736284 /nfs/dbraw/zinc/73/62/84/344736284.db2.gz OMNNPEFMDSFUCK-JGVFFNPUSA-N 0 0 198.291 1.633 10 0 ADAERN CS[C@H]1CCC[C@H](NC#N)C1 235212692 344736286 /nfs/dbraw/zinc/73/62/86/344736286.db2.gz RYLAQXXSGGMVCN-YUMQZZPRSA-N 0 0 170.281 1.731 10 0 ADAERN CS[C@H]1CCC[C@H]1N1CCC(=O)C1 235222212 344736302 /nfs/dbraw/zinc/73/63/02/344736302.db2.gz ATZHPFYLJDKCLE-ZJUUUORDSA-N 0 0 199.319 1.545 10 0 ADAERN CS[C@H]1CCC[C@@H]1n1cc[nH]c1=O 235210140 344736308 /nfs/dbraw/zinc/73/63/08/344736308.db2.gz OMNNPEFMDSFUCK-YUMQZZPRSA-N 0 0 198.291 1.633 10 0 ADAERN CS[C@@H]1CCC[C@H](NC=O)C1 235227479 344736503 /nfs/dbraw/zinc/73/65/03/344736503.db2.gz XTLBIOKEIUAXOA-JGVFFNPUSA-N 0 0 173.281 1.407 10 0 ADAERN C=CC(=O)N[C@@H]1CCC[C@@H]1SC 235228832 344736506 /nfs/dbraw/zinc/73/65/06/344736506.db2.gz LDYCIUMEYBCOHL-SFYZADRCSA-N 0 0 185.292 1.573 10 0 ADAERN CS[C@H]1CCC[C@H]1NC#N 235227448 344736556 /nfs/dbraw/zinc/73/65/56/344736556.db2.gz NDHDUNKIBPGIGT-RQJHMYQMSA-N 0 0 156.254 1.341 10 0 ADAERN C[C@@H](O)/C=C/c1ccc(O)c(F)c1 235232070 344736591 /nfs/dbraw/zinc/73/65/91/344736591.db2.gz BQPLRCLXDITPJN-TYWZFMJISA-N 0 0 182.194 1.925 10 0 ADAERN Cc1cccc(NC[C@@H](C)O)c1N 235226969 344736624 /nfs/dbraw/zinc/73/66/24/344736624.db2.gz JZNWHYCSTRIQRU-MRVPVSSYSA-N 0 0 180.251 1.370 10 0 ADAERN C[C@@H](O)C1(CC(F)F)CC1 235229922 344736723 /nfs/dbraw/zinc/73/67/23/344736723.db2.gz QGUVGJRNNDJVJH-RXMQYKEDSA-N 0 0 150.168 1.803 10 0 ADAERN CS[C@@H]1CCC[C@H]1N1CCC(=O)C1 235233270 344736952 /nfs/dbraw/zinc/73/69/52/344736952.db2.gz ATZHPFYLJDKCLE-NXEZZACHSA-N 0 0 199.319 1.545 10 0 ADAERN CS[C@@H]1CCC[C@H]1NC#N 235239404 344736973 /nfs/dbraw/zinc/73/69/73/344736973.db2.gz NDHDUNKIBPGIGT-RNFRBKRXSA-N 0 0 156.254 1.341 10 0 ADAERN C[C@@H](O)[C@@H](O)Cc1cccs1 235239858 344737042 /nfs/dbraw/zinc/73/70/42/344737042.db2.gz OUSHXFIEXNLPLN-SVRRBLITSA-N 0 0 172.249 1.032 10 0 ADAERN C[C@@H](O)c1cccnc1N(C)C1CC1 235235223 344737043 /nfs/dbraw/zinc/73/70/43/344737043.db2.gz CNIPGIHPQBIXJJ-MRVPVSSYSA-N 0 0 192.262 1.734 10 0 ADAERN Cc1ccc(C[C@H](O)[C@@H](C)O)cc1 235238188 344737055 /nfs/dbraw/zinc/73/70/55/344737055.db2.gz FDFQQIWOMWERHB-KOLCDFICSA-N 0 0 180.247 1.279 10 0 ADAERN C[C@@H](O)[C@H](O)CC1CCCCC1 235236086 344737062 /nfs/dbraw/zinc/73/70/62/344737062.db2.gz YSANAZPPIIKBDT-PSASIEDQSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@@H](O)c1cccnc1N(C)C 235235131 344737091 /nfs/dbraw/zinc/73/70/91/344737091.db2.gz IYGJBSQTCPTQMS-SSDOTTSWSA-N 0 0 166.224 1.201 10 0 ADAERN C[C@@H](O)[C@@H](O)CC1CCCCC1 235235966 344737097 /nfs/dbraw/zinc/73/70/97/344737097.db2.gz YSANAZPPIIKBDT-SCZZXKLOSA-N 0 0 172.268 1.699 10 0 ADAERN Cc1ccc(C[C@H](O)[C@@H](C)O)cc1C 235238141 344737105 /nfs/dbraw/zinc/73/71/05/344737105.db2.gz JPQQOEHDBRKHIS-PWSUYJOCSA-N 0 0 194.274 1.588 10 0 ADAERN C[C@@H](O)[C@H](O)CC1CCCC1 235236053 344737116 /nfs/dbraw/zinc/73/71/16/344737116.db2.gz AGDXUHKYMYYVJK-VXNVDRBHSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@@H](O)[C@@H](O)Cc1ccc(F)cc1 235238715 344737136 /nfs/dbraw/zinc/73/71/36/344737136.db2.gz CNSAPCQMJIVAQB-XCBNKYQSSA-N 0 0 184.210 1.110 10 0 ADAERN C[C@@H](O)[C@@H](O)CC1CCCC1 235235924 344737157 /nfs/dbraw/zinc/73/71/57/344737157.db2.gz AGDXUHKYMYYVJK-APPZFPTMSA-N 0 0 158.241 1.308 10 0 ADAERN Cc1cccc(C[C@H](O)[C@@H](C)O)c1 235239133 344737166 /nfs/dbraw/zinc/73/71/66/344737166.db2.gz USBZRVQRZDNYSI-KOLCDFICSA-N 0 0 180.247 1.279 10 0 ADAERN CSC1(Cn2cc[nH]c2=O)CCC1 235238583 344737169 /nfs/dbraw/zinc/73/71/69/344737169.db2.gz SBTVSCFZQBTAGV-UHFFFAOYSA-N 0 0 198.291 1.462 10 0 ADAERN C[C@@H](O)[C@@H](O)Cc1ccccc1F 235239647 344737171 /nfs/dbraw/zinc/73/71/71/344737171.db2.gz LKSIUCJHOZIOMD-XCBNKYQSSA-N 0 0 184.210 1.110 10 0 ADAERN C[C@@H](O)[C@@H](O)c1cc2ccccc2o1 235245685 344737352 /nfs/dbraw/zinc/73/73/52/344737352.db2.gz RIFZUAQDOWXBGV-RDDDGLTNSA-N 0 0 192.214 1.847 10 0 ADAERN C[C@@H](O)C(=O)CC1CCCC1 235252530 344737362 /nfs/dbraw/zinc/73/73/62/344737362.db2.gz JYDRLQZOMSJCSX-SSDOTTSWSA-N 0 0 156.225 1.517 10 0 ADAERN C[C@@H](O)c1nc2nccnc2s1 235249856 344737368 /nfs/dbraw/zinc/73/73/68/344737368.db2.gz JWFQIWFNXUUWQB-SCSAIBSYSA-N 0 0 181.220 1.140 10 0 ADAERN C[C@@H](O)C1(C[C@@H]2CCCO2)CC1 235251114 344737402 /nfs/dbraw/zinc/73/74/02/344737402.db2.gz VPVOFRCMTSKTJV-BDAKNGLRSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H](O)C1(C[C@H]2CCCO2)CC1 235251258 344737431 /nfs/dbraw/zinc/73/74/31/344737431.db2.gz VPVOFRCMTSKTJV-RKDXNWHRSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1ccc([C@H](O)[C@@H](C)O)s1 235243320 344737440 /nfs/dbraw/zinc/73/74/40/344737440.db2.gz HAJGCXHDTBPZQE-HTRCEHHLSA-N 0 0 172.249 1.471 10 0 ADAERN C[C@@H](Nc1nnc(N)o1)C(C)(C)C 235241276 344737508 /nfs/dbraw/zinc/73/75/08/344737508.db2.gz BGLAJUPWWAMUHN-RXMQYKEDSA-N 0 0 184.243 1.498 10 0 ADAERN Cc1cc(C)c([C@H](O)[C@@H](C)O)c(F)c1 235242421 344737569 /nfs/dbraw/zinc/73/75/69/344737569.db2.gz LSKIKQNGAFDNEF-LDYMZIIASA-N 0 0 198.237 1.857 10 0 ADAERN C[C@@H](O)C(=O)CC1CCC1 235252484 344737573 /nfs/dbraw/zinc/73/75/73/344737573.db2.gz BWQRTKLSHSQEHM-ZCFIWIBFSA-N 0 0 142.198 1.127 10 0 ADAERN CS[C@H]1CC[C@@H](N2CCC(=O)C2)C1 235243902 344737597 /nfs/dbraw/zinc/73/75/97/344737597.db2.gz RFWIZCVYBHBFGB-SCZZXKLOSA-N 0 0 199.319 1.545 10 0 ADAERN C[C@@H](Nc1nnc(N)o1)C1CCC1 235241420 344737638 /nfs/dbraw/zinc/73/76/38/344737638.db2.gz XFVBTRZRTRFGQL-RXMQYKEDSA-N 0 0 182.227 1.252 10 0 ADAERN Cc1cccc([C@H](O)[C@@H](C)O)c1C 235243593 344737647 /nfs/dbraw/zinc/73/76/47/344737647.db2.gz STXKHHOWJXPZSH-MWLCHTKSSA-N 0 0 180.247 1.718 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1nnc(N)o1 235252049 344737650 /nfs/dbraw/zinc/73/76/50/344737650.db2.gz PWFYFYQTIMHSEK-RITPCOANSA-N 0 0 182.227 1.252 10 0 ADAERN C=CC(=O)N[C@@H]1CCC[C@H]1SC 235241513 344737662 /nfs/dbraw/zinc/73/76/62/344737662.db2.gz LDYCIUMEYBCOHL-HTQZYQBOSA-N 0 0 185.292 1.573 10 0 ADAERN Cc1cc(CC2([C@@H](C)O)CC2)n(C)n1 235251976 344737681 /nfs/dbraw/zinc/73/76/81/344737681.db2.gz 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PVRJKUWVISVVHB-JTQLQIEISA-N 0 0 196.225 1.182 10 0 ADAERN Cc1cccnc1N1CC[C@](C)(O)C1 235786957 344766449 /nfs/dbraw/zinc/76/64/49/344766449.db2.gz FOSORHBYIZTNMS-NSHDSACASA-N 0 0 192.262 1.351 10 0 ADAERN Cc1ccsc1-c1cncc(=O)[nH]1 235779554 344766488 /nfs/dbraw/zinc/76/64/88/344766488.db2.gz LCQVENWQZHZDHT-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ccccc1C[C@H](O)C(C)(C)O 235779415 344766516 /nfs/dbraw/zinc/76/65/16/344766516.db2.gz RSZLZEGNPNAKLR-NSHDSACASA-N 0 0 194.274 1.669 10 0 ADAERN Cc1ccsc1-c1ncc[nH]c1=O 235780800 344766521 /nfs/dbraw/zinc/76/65/21/344766521.db2.gz JZXPSJMDMIDQKA-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ccc(CNN)c(Cl)c1 235780126 344766528 /nfs/dbraw/zinc/76/65/28/344766528.db2.gz ZGIYHQBOLYMZQY-UHFFFAOYSA-N 0 0 170.643 1.612 10 0 ADAERN Cc1cnccc1-c1cc(=O)[nH]cn1 235789883 344766624 /nfs/dbraw/zinc/76/66/24/344766624.db2.gz WTVNRXNEXALCGZ-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1ccsc1[C@@H](O)[C@H](O)C1CC1 235796471 344766652 /nfs/dbraw/zinc/76/66/52/344766652.db2.gz FCCILIZSVWADIQ-BDAKNGLRSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1cncc(C(=O)C(C)(C)O)c1 235794833 344766663 /nfs/dbraw/zinc/76/66/63/344766663.db2.gz CCDJKAWEPGFDSL-UHFFFAOYSA-N 0 0 179.219 1.344 10 0 ADAERN Cc1cnccc1-c1n[nH]c(=O)s1 235792378 344766672 /nfs/dbraw/zinc/76/66/72/344766672.db2.gz OANREKUEEZCTMC-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1[nH]c(=S)ncc1F 235795633 344766703 /nfs/dbraw/zinc/76/67/03/344766703.db2.gz UGKKWYDNKBUGGR-UHFFFAOYSA-N 0 0 144.174 1.213 10 0 ADAERN Cc1cc(Cl)cc2nc[nH]c(=O)c12 235796172 344766729 /nfs/dbraw/zinc/76/67/29/344766729.db2.gz WWUSQJYYOTWSFA-UHFFFAOYSA-N 0 0 194.621 1.885 10 0 ADAERN Cc1cc(N)cnc1-c1ccc[nH]1 235787225 344766732 /nfs/dbraw/zinc/76/67/32/344766732.db2.gz JNAWAEQFUFCAOL-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1cc(Cl)cc2c1CCNC2=O 235794386 344766756 /nfs/dbraw/zinc/76/67/56/344766756.db2.gz UDJZPDLBBZWCOS-UHFFFAOYSA-N 0 0 195.649 1.934 10 0 ADAERN Cc1ccc(F)cc1CNO 235788873 344766763 /nfs/dbraw/zinc/76/67/63/344766763.db2.gz FATORCALPCUKRU-UHFFFAOYSA-N 0 0 155.172 1.613 10 0 ADAERN Cc1cc(C)c(NN)c(F)c1 235787140 344766799 /nfs/dbraw/zinc/76/67/99/344766799.db2.gz ZIPWNUCREKEPBB-UHFFFAOYSA-N 0 0 154.188 1.728 10 0 ADAERN Cc1cn(C/C=C/Cl)nc1N 235792735 344766806 /nfs/dbraw/zinc/76/68/06/344766806.db2.gz MJNCFVRXGCAZJH-NSCUHMNNSA-N 0 0 171.631 1.526 10 0 ADAERN Cc1cnc(=S)[nH]c1C1CC1 235787351 344766808 /nfs/dbraw/zinc/76/68/08/344766808.db2.gz AXXXEDROYDUZLF-UHFFFAOYSA-N 0 0 166.249 1.951 10 0 ADAERN Cc1ccc(F)cc1[C@@H]1CNC(=O)O1 235789678 344766817 /nfs/dbraw/zinc/76/68/17/344766817.db2.gz AUBVSKQUFUVUHY-VIFPVBQESA-N 0 0 195.193 1.915 10 0 ADAERN Cc1cc(N)ncc1-c1ccc[nH]1 235790399 344766819 /nfs/dbraw/zinc/76/68/19/344766819.db2.gz CSUIRGVOOVKXAI-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1nc(Cl)ccc1NC1COC1 235804721 344766956 /nfs/dbraw/zinc/76/69/56/344766956.db2.gz KMHPDUBXWIUQSE-UHFFFAOYSA-N 0 0 198.653 1.854 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccsc1 235800485 344766976 /nfs/dbraw/zinc/76/69/76/344766976.db2.gz CHGCZPMSJHIUFQ-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccco1 235800347 344767027 /nfs/dbraw/zinc/76/70/27/344767027.db2.gz NCJRINDFVCSKJC-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cc1cncc([C@@H](O)C(C)(C)O)c1 235798997 344767053 /nfs/dbraw/zinc/76/70/53/344767053.db2.gz HAIPHPDMTBOCCN-SECBINFHSA-N 0 0 181.235 1.194 10 0 ADAERN Cc1cncc([C@H](O)C(C)(C)O)c1 235799553 344767036 /nfs/dbraw/zinc/76/70/36/344767036.db2.gz HAIPHPDMTBOCCN-VIFPVBQESA-N 0 0 181.235 1.194 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1cccs1 235800374 344767040 /nfs/dbraw/zinc/76/70/40/344767040.db2.gz AABBIZFAGHRKJF-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccc[nH]1 235799782 344767044 /nfs/dbraw/zinc/76/70/44/344767044.db2.gz OXCGDFGVILBBPM-UHFFFAOYSA-N 0 0 175.191 1.073 10 0 ADAERN Cc1ccncc1C(=O)[C@H](O)C1CC1 235801396 344767048 /nfs/dbraw/zinc/76/70/48/344767048.db2.gz JKUPVWAVQLRXFB-SNVBAGLBSA-N 0 0 191.230 1.344 10 0 ADAERN Cc1cncc([C@@H](N)C(F)F)c1 235798769 344767060 /nfs/dbraw/zinc/76/70/60/344767060.db2.gz RBADHANVALZCJX-SSDOTTSWSA-N 0 0 172.178 1.655 10 0 ADAERN Cc1ccc([C@@H](O)C(N)=O)cc1Cl 235804654 344767073 /nfs/dbraw/zinc/76/70/73/344767073.db2.gz KHVMILCUVLJWGU-MRVPVSSYSA-N 0 0 199.637 1.167 10 0 ADAERN Cc1nn(C)cc1NC/C=C/Cl 235801262 344767098 /nfs/dbraw/zinc/76/70/98/344767098.db2.gz RJGVDWSTBIUOGG-ONEGZZNKSA-N 0 0 185.658 1.893 10 0 ADAERN Cc1ccc([C@@H](O)C(C)(C)O)s1 235804390 344767108 /nfs/dbraw/zinc/76/71/08/344767108.db2.gz RJIGFTXCGMDWCC-MRVPVSSYSA-N 0 0 186.276 1.861 10 0 ADAERN Cc1ccncc1C(=O)[C@@H](O)C1CC1 235800914 344767133 /nfs/dbraw/zinc/76/71/33/344767133.db2.gz JKUPVWAVQLRXFB-JTQLQIEISA-N 0 0 191.230 1.344 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccccn1 235800318 344767159 /nfs/dbraw/zinc/76/71/59/344767159.db2.gz SUNSCPSMZJLOKJ-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1cncc([C@H](N)C(F)F)c1 235799381 344767162 /nfs/dbraw/zinc/76/71/62/344767162.db2.gz RBADHANVALZCJX-ZETCQYMHSA-N 0 0 172.178 1.655 10 0 ADAERN Cc1ccncc1C(=O)C(C)(C)O 235799349 344767171 /nfs/dbraw/zinc/76/71/71/344767171.db2.gz FCNDJRQMOSQOEJ-UHFFFAOYSA-N 0 0 179.219 1.344 10 0 ADAERN Cc1ccccc1-c1cc(=O)[nH]cn1 235802287 344767178 /nfs/dbraw/zinc/76/71/78/344767178.db2.gz LSNYIGBBTXRQPR-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN Cc1ccccc1C[C@@H](O)C(C)(C)O 235799922 344767209 /nfs/dbraw/zinc/76/72/09/344767209.db2.gz RSZLZEGNPNAKLR-LLVKDONJSA-N 0 0 194.274 1.669 10 0 ADAERN Cc1cnc(CNC#N)s1 235803740 344767210 /nfs/dbraw/zinc/76/72/10/344767210.db2.gz KNCJLDPSRXDBAH-UHFFFAOYSA-N 0 0 153.210 1.022 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccoc1 235800456 344767217 /nfs/dbraw/zinc/76/72/17/344767217.db2.gz JCJFULFGCBJEKE-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cc1cc(F)cc([C@H](O)C(C)(C)O)c1 235806796 344767282 /nfs/dbraw/zinc/76/72/82/344767282.db2.gz HAPSKOPPWSNNOQ-JTQLQIEISA-N 0 0 198.237 1.938 10 0 ADAERN Cc1ccc(F)cc1[C@H]1CNC(=O)O1 235810311 344767284 /nfs/dbraw/zinc/76/72/84/344767284.db2.gz AUBVSKQUFUVUHY-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN Cc1cccc([C@@H](O)C(C)(C)O)c1 235805798 344767291 /nfs/dbraw/zinc/76/72/91/344767291.db2.gz YZJQQZARMYJELW-SNVBAGLBSA-N 0 0 180.247 1.799 10 0 ADAERN Cc1cc(F)cc([C@@H](O)C(C)(C)O)c1 235806326 344767311 /nfs/dbraw/zinc/76/73/11/344767311.db2.gz HAPSKOPPWSNNOQ-SNVBAGLBSA-N 0 0 198.237 1.938 10 0 ADAERN Cc1ccc(F)cc1[C@H](O)CO 235806017 344767347 /nfs/dbraw/zinc/76/73/47/344767347.db2.gz STIIZRCHGPIGKA-SECBINFHSA-N 0 0 170.183 1.160 10 0 ADAERN Cc1nc(Cl)ccc1NC=O 235805097 344767367 /nfs/dbraw/zinc/76/73/67/344767367.db2.gz FQKUCVHVDHDTOE-UHFFFAOYSA-N 0 0 170.599 1.612 10 0 ADAERN Cc1ccc(F)cc1[C@H]1CC(=O)N1 235809392 344767369 /nfs/dbraw/zinc/76/73/69/344767369.db2.gz OVDLZDKKQGBUDH-SECBINFHSA-N 0 0 179.194 1.695 10 0 ADAERN Cc1cccc([C@@](C)(C[NH3+])C(=O)[O-])c1 235807005 344767389 /nfs/dbraw/zinc/76/73/89/344767389.db2.gz NEPMYVMJZAKFQR-LLVKDONJSA-N 0 0 193.246 1.296 10 0 ADAERN Cc1cnnc(NCC(F)(F)F)c1 235808482 344767400 /nfs/dbraw/zinc/76/74/00/344767400.db2.gz DALCQPJSISTPMO-UHFFFAOYSA-N 0 0 191.156 1.759 10 0 ADAERN Cc1cnnc(NCC(F)F)c1 235808501 344767434 /nfs/dbraw/zinc/76/74/34/344767434.db2.gz MFFUPIBMFKZAKN-UHFFFAOYSA-N 0 0 173.166 1.462 10 0 ADAERN Cc1oncc1-c1c[nH]c(=S)o1 235805353 344767441 /nfs/dbraw/zinc/76/74/41/344767441.db2.gz UZUSQVHDVUPFSL-UHFFFAOYSA-N 0 0 182.204 1.927 10 0 ADAERN CC1N=NC(=S)N1C[C@@H]1CC1(C)C 235812341 344767703 /nfs/dbraw/zinc/76/77/03/344767703.db2.gz YDLBKAVCNPRBBC-ZETCQYMHSA-N 0 0 197.307 1.921 10 0 ADAERN Cc1cccc([C@H](O)C(C)(C)O)c1 235810160 344767511 /nfs/dbraw/zinc/76/75/11/344767511.db2.gz YZJQQZARMYJELW-JTQLQIEISA-N 0 0 180.247 1.799 10 0 ADAERN Cc1nccnc1C1CC(=O)C1 235814291 344767654 /nfs/dbraw/zinc/76/76/54/344767654.db2.gz ZKBNOUOIVGTMQP-UHFFFAOYSA-N 0 0 162.192 1.232 10 0 ADAERN Cc1cccc([C@](C)(C[NH3+])C(=O)[O-])c1 235810983 344767674 /nfs/dbraw/zinc/76/76/74/344767674.db2.gz NEPMYVMJZAKFQR-NSHDSACASA-N 0 0 193.246 1.296 10 0 ADAERN CC1N=NC(=S)N1C[C@H]1CC1(C)C 235812389 344767686 /nfs/dbraw/zinc/76/76/86/344767686.db2.gz YDLBKAVCNPRBBC-SSDOTTSWSA-N 0 0 197.307 1.921 10 0 ADAERN Cc1ccncc1-c1ccc(=O)[nH]n1 235817439 344767719 /nfs/dbraw/zinc/76/77/19/344767719.db2.gz PPNNTDFCRQOPPB-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1cccc2c1OCC(CO)=C2 235812391 344767732 /nfs/dbraw/zinc/76/77/32/344767732.db2.gz PZGBMITYRFWDSK-UHFFFAOYSA-N 0 0 176.215 1.763 10 0 ADAERN Cc1n[nH]c(=S)c(C)c1C 235811586 344767734 /nfs/dbraw/zinc/76/77/34/344767734.db2.gz OJNRVNZYDQPRCP-UHFFFAOYSA-N 0 0 154.238 1.691 10 0 ADAERN Cc1ccncc1-c1cc[nH]c(=O)n1 235817399 344767743 /nfs/dbraw/zinc/76/77/43/344767743.db2.gz FWJTYGOTDZTPAD-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1ccsc1[C@H](O)[C@H](O)C1CC1 235813495 344767773 /nfs/dbraw/zinc/76/77/73/344767773.db2.gz FCCILIZSVWADIQ-RKDXNWHRSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1ccsc1[C@H](O)[C@@H](O)C1CC1 235813148 344767806 /nfs/dbraw/zinc/76/78/06/344767806.db2.gz FCCILIZSVWADIQ-DTWKUNHWSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1sccc1[C@@H](O)[C@@H](O)C1CC1 235815321 344767810 /nfs/dbraw/zinc/76/78/10/344767810.db2.gz DKRDTLVVSVGJSM-VHSXEESVSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1sccc1[C@@H](O)[C@H](O)C1CC1 235815656 344767842 /nfs/dbraw/zinc/76/78/42/344767842.db2.gz DKRDTLVVSVGJSM-NXEZZACHSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1nn(C)cc1C1=NC(=S)OC1 235819569 344767843 /nfs/dbraw/zinc/76/78/43/344767843.db2.gz VNPCCFYMZPHWNN-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN CC1N=NC(=S)N1CC1(C)CC1 235811894 344767855 /nfs/dbraw/zinc/76/78/55/344767855.db2.gz MLZGSKJNPQNINN-UHFFFAOYSA-N 0 0 183.280 1.675 10 0 ADAERN Cc1sccc1-c1cncc(=O)[nH]1 235825566 344768001 /nfs/dbraw/zinc/76/80/01/344768001.db2.gz RFVHVVAYPQDMGU-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1nccnc1[C@](C)(N)C(F)F 235828500 344768009 /nfs/dbraw/zinc/76/80/09/344768009.db2.gz ISJOQECMJVJSKJ-QMMMGPOBSA-N 0 0 187.193 1.224 10 0 ADAERN Cc1sccc1-c1ncc[nH]c1=O 235826184 344768020 /nfs/dbraw/zinc/76/80/20/344768020.db2.gz DCHWOZBBPGDDIL-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1nccnc1[C@@]1(C)C[C@H]1CO 235826785 344768025 /nfs/dbraw/zinc/76/80/25/344768025.db2.gz HRBBSDWUXZLPEV-WPRPVWTQSA-N 0 0 178.235 1.055 10 0 ADAERN Cc1[nH]c(C2CCC2)nc1O 235828964 344768033 /nfs/dbraw/zinc/76/80/33/344768033.db2.gz KRLICPUPFHBOIW-UHFFFAOYSA-N 0 0 152.197 1.691 10 0 ADAERN Cc1sccc1-c1cnc[nH]c1=O 235825520 344768035 /nfs/dbraw/zinc/76/80/35/344768035.db2.gz QGRJFXUHNLFBAR-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CC1=NN(c2cccnn2)C(=S)C1 235828736 344768039 /nfs/dbraw/zinc/76/80/39/344768039.db2.gz KPHHZLYCQUXKQI-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN Cc1nccnc1[C@](C)(O)C(F)F 235830291 344768045 /nfs/dbraw/zinc/76/80/45/344768045.db2.gz YMAHUNQCEMBYJO-QMMMGPOBSA-N 0 0 188.177 1.258 10 0 ADAERN Cc1cccc(C)c1-c1nc(N)n[nH]1 235830304 344768068 /nfs/dbraw/zinc/76/80/68/344768068.db2.gz WNODYFCVXZRFCP-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN Cc1nc(Cl)[nH]c(=S)c1N 235822131 344768069 /nfs/dbraw/zinc/76/80/69/344768069.db2.gz DGFBOVJOEPXPFT-UHFFFAOYSA-N 0 0 175.644 1.309 10 0 ADAERN Cc1sccc1[C@H](O)[C@@H](O)C1CC1 235821128 344768082 /nfs/dbraw/zinc/76/80/82/344768082.db2.gz DKRDTLVVSVGJSM-UWVGGRQHSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1sccc1-c1cc[nH]c(=O)n1 235824522 344768091 /nfs/dbraw/zinc/76/80/91/344768091.db2.gz SQRQCHVZMMHBBY-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1sccc1-c1n[nH]c(=O)s1 235825812 344768105 /nfs/dbraw/zinc/76/81/05/344768105.db2.gz LFNGCTYXLSXLPS-UHFFFAOYSA-N 0 0 198.272 1.868 10 0 ADAERN Cc1nccnc1[C@@](C)(O)C(F)F 235824134 344768114 /nfs/dbraw/zinc/76/81/14/344768114.db2.gz YMAHUNQCEMBYJO-MRVPVSSYSA-N 0 0 188.177 1.258 10 0 ADAERN Cc1sccc1-c1cn[nH]c(=O)c1 235825469 344768131 /nfs/dbraw/zinc/76/81/31/344768131.db2.gz YGZMVKYJZBAPDK-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1sccc1-c1ccc(=O)[nH]n1 235824563 344768133 /nfs/dbraw/zinc/76/81/33/344768133.db2.gz VSWXDMQAMWCBDD-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ccsc1-c1cc(=O)[nH]cn1 235819627 344768167 /nfs/dbraw/zinc/76/81/67/344768167.db2.gz QZXOURFSRGVRRA-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1sccc1[C@H](O)[C@H](O)C1CC1 235821450 344768173 /nfs/dbraw/zinc/76/81/73/344768173.db2.gz DKRDTLVVSVGJSM-ZJUUUORDSA-N 0 0 198.287 1.861 10 0 ADAERN Cc1cc(F)ccc1C1=NCC(=O)N1 235820218 344768178 /nfs/dbraw/zinc/76/81/78/344768178.db2.gz RHLXKNBFMQXGOJ-UHFFFAOYSA-N 0 0 192.193 1.011 10 0 ADAERN Cc1cc(C(=O)N2CCCO2)ccn1 235824901 344768179 /nfs/dbraw/zinc/76/81/79/344768179.db2.gz PFCDLNSZKXGAPL-UHFFFAOYSA-N 0 0 192.218 1.168 10 0 ADAERN Cc1nccnc1[C@@](C)(N)C(F)F 235822465 344768183 /nfs/dbraw/zinc/76/81/83/344768183.db2.gz ISJOQECMJVJSKJ-MRVPVSSYSA-N 0 0 187.193 1.224 10 0 ADAERN Cc1cc(F)cc(C2=NCC(=O)N2)c1 235821697 344768216 /nfs/dbraw/zinc/76/82/16/344768216.db2.gz ARBKWTODQKFVCX-UHFFFAOYSA-N 0 0 192.193 1.011 10 0 ADAERN Cc1sccc1-c1cc(=O)[nH]cn1 235823722 344768221 /nfs/dbraw/zinc/76/82/21/344768221.db2.gz CYJZZIMDBZKIHS-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(=S)[nH]c([C@@H]2CCCO2)n1 235830957 344768369 /nfs/dbraw/zinc/76/83/69/344768369.db2.gz PLBNZTWKPKDQHS-ZETCQYMHSA-N 0 0 196.275 1.925 10 0 ADAERN Cc1nccnc1[C@]1(C)C[C@@H]1CO 235832108 344768399 /nfs/dbraw/zinc/76/83/99/344768399.db2.gz HRBBSDWUXZLPEV-PSASIEDQSA-N 0 0 178.235 1.055 10 0 ADAERN Cc1[nH]c([C@@H]2CCCOC2)nc1O 235833604 344768435 /nfs/dbraw/zinc/76/84/35/344768435.db2.gz AJFAFKRMXJSXAI-SSDOTTSWSA-N 0 0 182.223 1.318 10 0 ADAERN Cc1cc(=S)[nH]c(-c2ncc[nH]2)n1 235834027 344768463 /nfs/dbraw/zinc/76/84/63/344768463.db2.gz QHKWMWZZYRMBLU-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN Cc1cc(=S)[nH]c([C@H]2CCOC2)n1 235831506 344768471 /nfs/dbraw/zinc/76/84/71/344768471.db2.gz SYWLMNRSCGRCTI-ZETCQYMHSA-N 0 0 196.275 1.578 10 0 ADAERN Cc1cc(N2CCCO2)c(N)cc1F 235832779 344768490 /nfs/dbraw/zinc/76/84/90/344768490.db2.gz UEEXXSOKDLIBMF-UHFFFAOYSA-N 0 0 196.225 1.858 10 0 ADAERN Cc1nccnc1[C@]1(C)C[C@H]1CO 235832465 344768501 /nfs/dbraw/zinc/76/85/01/344768501.db2.gz HRBBSDWUXZLPEV-WCBMZHEXSA-N 0 0 178.235 1.055 10 0 ADAERN Cc1nccnc1-c1n[nH]cc1Cl 235836165 344768503 /nfs/dbraw/zinc/76/85/03/344768503.db2.gz BLJARPQNJQUMKY-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN Cc1cc(CO)nc([C@H]2CC2(C)C)n1 235831083 344768505 /nfs/dbraw/zinc/76/85/05/344768505.db2.gz VSOLILUKABNYAL-SECBINFHSA-N 0 0 192.262 1.791 10 0 ADAERN Cc1cc(=S)[nH]c([C@H]2CCCO2)n1 235831414 344768539 /nfs/dbraw/zinc/76/85/39/344768539.db2.gz PLBNZTWKPKDQHS-SSDOTTSWSA-N 0 0 196.275 1.925 10 0 ADAERN Cc1cc(C(=O)c2cncnc2)ccn1 235834949 344768527 /nfs/dbraw/zinc/76/85/27/344768527.db2.gz QERGTJQAZSTJDR-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN Cc1[nH]c(C[C@H]2CCCCO2)nc1O 235831202 344768529 /nfs/dbraw/zinc/76/85/29/344768529.db2.gz GUXPBEIBWCXKAU-MRVPVSSYSA-N 0 0 196.250 1.535 10 0 ADAERN Cc1c(-c2ccc[nH]2)nc[nH]c1=O 235839960 344768782 /nfs/dbraw/zinc/76/87/82/344768782.db2.gz QUEWAGKDRWHZTP-UHFFFAOYSA-N 0 0 175.191 1.073 10 0 ADAERN Cc1c(-c2ccco2)nc[nH]c1=O 235843000 344768816 /nfs/dbraw/zinc/76/88/16/344768816.db2.gz MSPDGRNUOSFTSI-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cc1c(-c2ccoc2)nc[nH]c1=O 235843449 344768822 /nfs/dbraw/zinc/76/88/22/344768822.db2.gz QMYFFEJQOUNWET-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cc1cc(Cl)nc(NC=O)n1 235845011 344768840 /nfs/dbraw/zinc/76/88/40/344768840.db2.gz ZHSWAMQMXLAELA-UHFFFAOYSA-N 0 0 171.587 1.007 10 0 ADAERN Cc1c(-c2ccsc2)nc[nH]c1=O 235843618 344768853 /nfs/dbraw/zinc/76/88/53/344768853.db2.gz JMKZAHGSVASPEC-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN C=CC(=O)Nc1nc(C)cc(Cl)n1 235842429 344768861 /nfs/dbraw/zinc/76/88/61/344768861.db2.gz NWALFCCESHYQSK-UHFFFAOYSA-N 0 0 197.625 1.563 10 0 ADAERN Cc1cc2c(cc1F)NCCN2 235841379 344768875 /nfs/dbraw/zinc/76/88/75/344768875.db2.gz JYUASZKRTVFFBW-UHFFFAOYSA-N 0 0 166.199 1.972 10 0 ADAERN Cc1cc(-c2cncc(=O)[nH]2)cs1 235869196 344769109 /nfs/dbraw/zinc/76/91/09/344769109.db2.gz LSFRRXPYSKACAG-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(-c2ccc(=O)[nH]n2)cs1 235856675 344769117 /nfs/dbraw/zinc/76/91/17/344769117.db2.gz CTBGIAYFQRQQHY-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(Cl)n(-c2cccnn2)n1 235863928 344769121 /nfs/dbraw/zinc/76/91/21/344769121.db2.gz JDXWYRSSZXGTPU-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN Cc1cc(-c2ccc[nH]2)cnc1N 235864401 344769127 /nfs/dbraw/zinc/76/91/27/344769127.db2.gz JTNZOSQAVPOBBN-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1cc(=O)[nH]c([C@H]2CC2(C)C)n1 235859412 344769133 /nfs/dbraw/zinc/76/91/33/344769133.db2.gz IGSGMOKFSQLUEZ-SSDOTTSWSA-N 0 0 178.235 1.592 10 0 ADAERN Cc1cc(NC2COC2)cnc1Cl 235857811 344769140 /nfs/dbraw/zinc/76/91/40/344769140.db2.gz WKRGTYFIODTSQO-UHFFFAOYSA-N 0 0 198.653 1.854 10 0 ADAERN Cc1cc(-c2cc(=O)[nH]cn2)cs1 235851038 344769160 /nfs/dbraw/zinc/76/91/60/344769160.db2.gz JXOLIOCYWRAYCI-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1nc(N)c2cc(C)c(F)cc2n1 235860490 344769167 /nfs/dbraw/zinc/76/91/67/344769167.db2.gz OLPMWXAHTVDQAK-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cc1cc(Cl)ccc1[C@@H](O)C(N)=O 235853006 344769182 /nfs/dbraw/zinc/76/91/82/344769182.db2.gz FCTGAZYLSFAIPX-MRVPVSSYSA-N 0 0 199.637 1.167 10 0 ADAERN Cc1cc(-c2ccc[nH]2)c[nH]c1=O 235864350 344769187 /nfs/dbraw/zinc/76/91/87/344769187.db2.gz DIOLBRLYGVNPKH-UHFFFAOYSA-N 0 0 174.203 1.678 10 0 ADAERN Cc1cc(-c2ccc[nH]2)nc(=O)[nH]1 235864302 344769194 /nfs/dbraw/zinc/76/91/94/344769194.db2.gz STAYLEMYYSQIMN-UHFFFAOYSA-N 0 0 175.191 1.073 10 0 ADAERN Cc1ccc(F)c([C@@H]2CC(=O)N2)c1 235859513 344769219 /nfs/dbraw/zinc/76/92/19/344769219.db2.gz CDAXNKJWCCVOHA-VIFPVBQESA-N 0 0 179.194 1.695 10 0 ADAERN Cc1cc(-c2n[nH]c(=O)s2)cs1 235870880 344769236 /nfs/dbraw/zinc/76/92/36/344769236.db2.gz JEDGLDHUQSJYTP-UHFFFAOYSA-N 0 0 198.272 1.868 10 0 ADAERN Cc1cc(Cn2cnc(C=O)c2)on1 235862390 344769267 /nfs/dbraw/zinc/76/92/67/344769267.db2.gz YYXSMSMYNGHVRZ-UHFFFAOYSA-N 0 0 191.190 1.040 10 0 ADAERN Cc1cc(-c2cc(N)no2)ccn1 235856041 344769268 /nfs/dbraw/zinc/76/92/68/344769268.db2.gz AZYNYGZFWXDJBI-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1cc(-c2cc[nH]c(=O)n2)cs1 235856585 344769270 /nfs/dbraw/zinc/76/92/70/344769270.db2.gz FKXBYIISUDLXOH-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(-c2n[nH]c(C)n2)ccn1 235872752 344769272 /nfs/dbraw/zinc/76/92/72/344769272.db2.gz XWBXKKXGMGILDB-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1nc[nH]c(=S)c1F 235851647 344769278 /nfs/dbraw/zinc/76/92/78/344769278.db2.gz KABSTOYXRGBFJP-UHFFFAOYSA-N 0 0 144.174 1.213 10 0 ADAERN Cc1ccc(F)c([C@@H]2CNC(=O)O2)c1 235860550 344769285 /nfs/dbraw/zinc/76/92/85/344769285.db2.gz MEHLZYGNQOTDNS-VIFPVBQESA-N 0 0 195.193 1.915 10 0 ADAERN Cc1cc(-c2cnc[nH]c2=O)ccn1 235869025 344769303 /nfs/dbraw/zinc/76/93/03/344769303.db2.gz ZAZJAQPGZJCZET-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1cnnc(N[C@@H]2CCSC2)c1 235924226 344769489 /nfs/dbraw/zinc/76/94/89/344769489.db2.gz BBHFIAJEVYBGPL-MRVPVSSYSA-N 0 0 195.291 1.702 10 0 ADAERN Cc1ccc(-c2n[nH]c(=O)s2)s1 235904423 344769510 /nfs/dbraw/zinc/76/95/10/344769510.db2.gz WQYSJZVQPSYUGZ-UHFFFAOYSA-N 0 0 198.272 1.868 10 0 ADAERN Cc1cnnc(N[C@H]2CC2(C)C)c1 235924493 344769517 /nfs/dbraw/zinc/76/95/17/344769517.db2.gz CUUXRHZXKGLTMC-QMMMGPOBSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cccc(N2CCCO2)c1N 235924351 344769540 /nfs/dbraw/zinc/76/95/40/344769540.db2.gz BCOLLQRNCABDQY-UHFFFAOYSA-N 0 0 178.235 1.719 10 0 ADAERN Cc1ccc(-c2ncc[nH]c2=O)s1 235915673 344769563 /nfs/dbraw/zinc/76/95/63/344769563.db2.gz FYRKXRUOEXMLLF-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cnnc(N[C@]2(C)CCOC2)c1 235924866 344769566 /nfs/dbraw/zinc/76/95/66/344769566.db2.gz DIFOOUYFQJRYSU-SNVBAGLBSA-N 0 0 193.250 1.376 10 0 ADAERN Cc1c[nH]c(-c2cc(O)ccc2N)n1 235925540 344769570 /nfs/dbraw/zinc/76/95/70/344769570.db2.gz RKIZNJRPQCSTBE-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN Cc1cnnc(N[C@@H]2CC2(C)C)c1 235923748 344769625 /nfs/dbraw/zinc/76/96/25/344769625.db2.gz CUUXRHZXKGLTMC-MRVPVSSYSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccc(-c2cncc(=O)[nH]2)s1 235901967 344769668 /nfs/dbraw/zinc/76/96/68/344769668.db2.gz UCPWZVRWFCDGLK-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(N)nc([C@H]2CC2(C)C)n1 235899406 344769671 /nfs/dbraw/zinc/76/96/71/344769671.db2.gz KODCCGAEHQMSCU-SSDOTTSWSA-N 0 0 177.251 1.881 10 0 ADAERN Cc1ccc(-c2n[nH]c(=O)s2)cn1 235904399 344769673 /nfs/dbraw/zinc/76/96/73/344769673.db2.gz OIWXLHQZRSYTRU-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1ccc(-c2cnc[nH]c2=O)s1 235901716 344769688 /nfs/dbraw/zinc/76/96/88/344769688.db2.gz LBNRPCIPAKCOEH-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1nc([C@@H]2CC2(C)C)[nH]c(=O)c1C 235930389 344769903 /nfs/dbraw/zinc/76/99/03/344769903.db2.gz SCLDSOWLADBHFD-QMMMGPOBSA-N 0 0 192.262 1.900 10 0 ADAERN Cc1cncc(-c2n[nH]c(=O)s2)c1 235931880 344769908 /nfs/dbraw/zinc/76/99/08/344769908.db2.gz HSWYVFXEWNTMSR-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN Cc1cccc([C@H](O)[C@H](O)C2CC2)c1 235930409 344769946 /nfs/dbraw/zinc/76/99/46/344769946.db2.gz JNRDWGUGZFCKSP-NEPJUHHUSA-N 0 0 192.258 1.799 10 0 ADAERN Cc1cccc(N2CC[C@H](O)C2)c1N 235928400 344769958 /nfs/dbraw/zinc/76/99/58/344769958.db2.gz HQKJPQJITCRVOZ-VIFPVBQESA-N 0 0 192.262 1.148 10 0 ADAERN Cc1cccc(NC2(C(N)=O)CC2)c1 235929775 344769973 /nfs/dbraw/zinc/76/99/73/344769973.db2.gz MEMYGLXXBXBRSR-UHFFFAOYSA-N 0 0 190.246 1.425 10 0 ADAERN Cc1cnnc(-n2nc(C)cc2C)c1 235928612 344769985 /nfs/dbraw/zinc/76/99/85/344769985.db2.gz JTJRFTPJKHGMSV-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN Cc1nc(OC2CCC2)cc(=O)[nH]1 235934437 344769988 /nfs/dbraw/zinc/76/99/88/344769988.db2.gz JZOWBMMOKAAHCY-UHFFFAOYSA-N 0 0 180.207 1.422 10 0 ADAERN Cc1nc([C@@H]2CC2(C)C)n[nH]1 235931529 344770009 /nfs/dbraw/zinc/77/00/09/344770009.db2.gz QVMDIMLCOUQZAP-LURJTMIESA-N 0 0 151.213 1.627 10 0 ADAERN Cc1nc(C)c(C2(O)CC2)s1 235933315 344770016 /nfs/dbraw/zinc/77/00/16/344770016.db2.gz VNRACZWDFUZDAF-UHFFFAOYSA-N 0 0 169.249 1.741 10 0 ADAERN Cc1nnc(-c2sc(C)nc2C)[nH]1 235932377 344770018 /nfs/dbraw/zinc/77/00/18/344770018.db2.gz APSZYNJNKMHIEK-UHFFFAOYSA-N 0 0 194.263 1.853 10 0 ADAERN Cc1nc(-c2ccc[nH]2)ccc1N 235953598 344770317 /nfs/dbraw/zinc/77/03/17/344770317.db2.gz AUWWUZITRWWDQU-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN Cc1coc(S[C@@H]2CCC[C@H]2O)n1 235941217 344770328 /nfs/dbraw/zinc/77/03/28/344770328.db2.gz MYFDNCLIHZTYFD-HTQZYQBOSA-N 0 0 199.275 1.989 10 0 ADAERN Cc1nc(Cl)nc(NC2CC2)c1N 235941087 344770350 /nfs/dbraw/zinc/77/03/50/344770350.db2.gz ZKPAFCVYKPOSMX-UHFFFAOYSA-N 0 0 198.657 1.595 10 0 ADAERN Cc1ncc(C(=O)[C@@H]2CCOC2)s1 235948209 344770357 /nfs/dbraw/zinc/77/03/57/344770357.db2.gz ZHXYJTUAUVSBMS-SSDOTTSWSA-N 0 0 197.259 1.671 10 0 ADAERN Cc1nc(-c2cc(N)no2)cs1 235945898 344770372 /nfs/dbraw/zinc/77/03/72/344770372.db2.gz OZADQMTWLZYHEC-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1nc(C)c(-c2cc(N)no2)s1 235952029 344770377 /nfs/dbraw/zinc/77/03/77/344770377.db2.gz KPHSPLQWVKRSEP-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1ncc(C(=O)[C@H]2CCOC2)s1 235948546 344770383 /nfs/dbraw/zinc/77/03/83/344770383.db2.gz ZHXYJTUAUVSBMS-ZETCQYMHSA-N 0 0 197.259 1.671 10 0 ADAERN Cc1nc(-c2cc(N)on2)cs1 235945915 344770423 /nfs/dbraw/zinc/77/04/23/344770423.db2.gz NBWNWEUWMGVHIY-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1cnc(Cl)c(NC2COC2)c1 235949043 344770435 /nfs/dbraw/zinc/77/04/35/344770435.db2.gz RSEAIUYWMCOTAU-UHFFFAOYSA-N 0 0 198.653 1.854 10 0 ADAERN Cc1nc(-c2cc(N)n[nH]2)cs1 235945775 344770461 /nfs/dbraw/zinc/77/04/61/344770461.db2.gz FVITVVLXCISABP-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Cc1nc(C)c(-c2nc(N)n[nH]2)s1 235953459 344770471 /nfs/dbraw/zinc/77/04/71/344770471.db2.gz ZRNGNRLHULPJLA-UHFFFAOYSA-N 0 0 195.251 1.127 10 0 ADAERN Cc1nc2c(c(=S)[nH]1)CSC2 235953669 344770480 /nfs/dbraw/zinc/77/04/80/344770480.db2.gz MZHNJPXLKGAWEI-UHFFFAOYSA-N 0 0 184.289 1.821 10 0 ADAERN Cc1coc(S[C@@H]2CCC[C@@H]2O)n1 235941130 344770481 /nfs/dbraw/zinc/77/04/81/344770481.db2.gz MYFDNCLIHZTYFD-JGVFFNPUSA-N 0 0 199.275 1.989 10 0 ADAERN Cc1nc(-c2ccc(N)cc2F)n[nH]1 235951966 344770517 /nfs/dbraw/zinc/77/05/17/344770517.db2.gz MPWYXAAUPBBVDR-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN Cc1ncnc(NC2(C)CC2)c1F 235954584 344770524 /nfs/dbraw/zinc/77/05/24/344770524.db2.gz ATOLCOXZSHHABG-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN Cc1nc(-c2[nH]nc(N)c2C)cs1 235961465 344770687 /nfs/dbraw/zinc/77/06/87/344770687.db2.gz OBMHPGRNDLCIFQ-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1noc(NC2CCSCC2)n1 235963739 344770621 /nfs/dbraw/zinc/77/06/21/344770621.db2.gz BZESKAKRIUOWMB-UHFFFAOYSA-N 0 0 199.279 1.686 10 0 ADAERN Cc1ncc([C@H](N)C2=CCCO2)s1 235957151 344770627 /nfs/dbraw/zinc/77/06/27/344770627.db2.gz JBUQBPLNDPARIU-SECBINFHSA-N 0 0 196.275 1.756 10 0 ADAERN Cc1nc(-c2noc(N)c2C)cs1 235963014 344770640 /nfs/dbraw/zinc/77/06/40/344770640.db2.gz XQHDLLXIOVWQMN-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1nc(-c2onc(N)c2C)cs1 235963201 344770655 /nfs/dbraw/zinc/77/06/55/344770655.db2.gz BLDBGFZQXXKYPH-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1noc(NC2(C)CC2)n1 235963527 344770677 /nfs/dbraw/zinc/77/06/77/344770677.db2.gz ZOQAZENMMPXZQW-UHFFFAOYSA-N 0 0 153.185 1.342 10 0 ADAERN Cc1noc(NC(C)(C)C2CC2)n1 235963483 344770690 /nfs/dbraw/zinc/77/06/90/344770690.db2.gz YLDXMIBKVWMIBN-UHFFFAOYSA-N 0 0 181.239 1.979 10 0 ADAERN Cc1nc(C2CC2)c(C)c(=O)[nH]1 235960849 344770698 /nfs/dbraw/zinc/77/06/98/344770698.db2.gz YTEXGMWZKIEJKF-UHFFFAOYSA-N 0 0 164.208 1.264 10 0 ADAERN Cc1ncc(-c2[nH]nc(N)c2C)s1 235961804 344770703 /nfs/dbraw/zinc/77/07/03/344770703.db2.gz XGXNOPNGKHRZGW-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1noc(NC2(CO)CCCC2)n1 235963612 344770709 /nfs/dbraw/zinc/77/07/09/344770709.db2.gz RFHYQLQZLUYYEZ-UHFFFAOYSA-N 0 0 197.238 1.095 10 0 ADAERN Cc1ncc(C2N=NC(=S)N2)s1 235962630 344770718 /nfs/dbraw/zinc/77/07/18/344770718.db2.gz SEOCBMASSHZJTQ-UHFFFAOYSA-N 0 0 198.276 1.525 10 0 ADAERN Cc1ncc(-c2nnc(N)o2)s1 235962550 344770728 /nfs/dbraw/zinc/77/07/28/344770728.db2.gz QUXOBGIRYZQLCU-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1ncc(-c2nnc(N)s2)s1 235962559 344770729 /nfs/dbraw/zinc/77/07/29/344770729.db2.gz YLMRZQKRCINQJH-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Cc1ncc([C@H](O)C2CC2)s1 235959617 344770745 /nfs/dbraw/zinc/77/07/45/344770745.db2.gz AFCLZDLOCMRODP-MRVPVSSYSA-N 0 0 169.249 1.895 10 0 ADAERN Cc1nc(-c2cnccn2)ccc1N 235960584 344770766 /nfs/dbraw/zinc/77/07/66/344770766.db2.gz FWFCWVINVUKCTM-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Cc1ncc(-c2onc(N)c2C)s1 235962896 344770772 /nfs/dbraw/zinc/77/07/72/344770772.db2.gz RSEXGBPZRZKGPR-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1ncc(-c2cc(N)n[nH]2)s1 235961589 344770776 /nfs/dbraw/zinc/77/07/76/344770776.db2.gz CEUFKHGJPPEQHL-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN Cc1nc(C2CC2)ccc1N 235960885 344770786 /nfs/dbraw/zinc/77/07/86/344770786.db2.gz OPHAZPGURQCYOP-UHFFFAOYSA-N 0 0 148.209 1.850 10 0 ADAERN Cc1ncc(-c2cnc(CN)o2)s1 235961761 344770790 /nfs/dbraw/zinc/77/07/90/344770790.db2.gz DHNJFGNDGWFDPR-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN Cc1noc(NCC2CCC2)n1 235963996 344770799 /nfs/dbraw/zinc/77/07/99/344770799.db2.gz UZFUGDQGVGIHNG-UHFFFAOYSA-N 0 0 167.212 1.590 10 0 ADAERN Cc1ncc(-c2cc(N)no2)s1 235961647 344770805 /nfs/dbraw/zinc/77/08/05/344770805.db2.gz FAQJHUVFAFFALO-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1nc(C2CC2)c(=O)[nH]c1C 235960804 344770823 /nfs/dbraw/zinc/77/08/23/344770823.db2.gz MBXMYDNEYSNYDZ-UHFFFAOYSA-N 0 0 164.208 1.264 10 0 ADAERN Cc1ncc([C@H](NN)C2CC2)s1 235958748 344770841 /nfs/dbraw/zinc/77/08/41/344770841.db2.gz HRSGXBKWCARJLA-MRVPVSSYSA-N 0 0 183.280 1.366 10 0 ADAERN Cc1noc(NCC2CCOCC2)n1 235964020 344770864 /nfs/dbraw/zinc/77/08/64/344770864.db2.gz DPMCTQXNQLKGQI-UHFFFAOYSA-N 0 0 197.238 1.217 10 0 ADAERN Cc1noc(NC2(C)CCC2)n1 235963539 344770873 /nfs/dbraw/zinc/77/08/73/344770873.db2.gz PNJKNYHHFFXGEA-UHFFFAOYSA-N 0 0 167.212 1.733 10 0 ADAERN Cc1ncc(-c2cc(N)on2)s1 235961655 344770874 /nfs/dbraw/zinc/77/08/74/344770874.db2.gz HNSLMWLAOXENPE-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1noc(NC[C@@H]2CC2(C)C)n1 235964804 344770878 /nfs/dbraw/zinc/77/08/78/344770878.db2.gz IDVOAUORMNWHCX-ZETCQYMHSA-N 0 0 181.239 1.836 10 0 ADAERN Cc1ncc(-c2noc(N)c2C)s1 235962836 344770882 /nfs/dbraw/zinc/77/08/82/344770882.db2.gz MZGABSTUGKBJCR-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN Cc1nc(-c2ccn(C)n2)ccc1N 235958300 344770892 /nfs/dbraw/zinc/77/08/92/344770892.db2.gz FMKLKZKBLNDIKT-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nc(CNC2(C)CCCC2)no1 235955387 344770894 /nfs/dbraw/zinc/77/08/94/344770894.db2.gz UIYCBHSHRWYDKQ-UHFFFAOYSA-N 0 0 195.266 1.800 10 0 ADAERN Cc1noc(NC[C@]2(C)CCCO2)n1 235965351 344770992 /nfs/dbraw/zinc/77/09/92/344770992.db2.gz NZCYRKXOKADMIL-VIFPVBQESA-N 0 0 197.238 1.359 10 0 ADAERN Cc1noc(N[C@H]2CCCSC2)n1 235968073 344771001 /nfs/dbraw/zinc/77/10/01/344771001.db2.gz MBSQQOWGCIRFIO-ZETCQYMHSA-N 0 0 199.279 1.686 10 0 ADAERN Cc1noc(-c2ccc(N)cc2F)n1 235968998 344771058 /nfs/dbraw/zinc/77/10/58/344771058.db2.gz BPJGIKQWEFRNHU-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN Cc1noc(NC[C@@H]2CCCS2)n1 235964924 344771060 /nfs/dbraw/zinc/77/10/60/344771060.db2.gz LUPJLSIKLQSKLW-ZETCQYMHSA-N 0 0 199.279 1.686 10 0 ADAERN Cc1noc(N[C@H]2CCSC2)n1 235968115 344771063 /nfs/dbraw/zinc/77/10/63/344771063.db2.gz RGNHITXOOXSIMT-LURJTMIESA-N 0 0 185.252 1.295 10 0 ADAERN Cc1noc(N[C@@H]2CC2(C)C)n1 235967546 344771073 /nfs/dbraw/zinc/77/10/73/344771073.db2.gz TUMBIVHWHFXGEG-ZCFIWIBFSA-N 0 0 167.212 1.588 10 0 ADAERN Cc1noc(N[C@@H]2CC=CCC2)n1 235967982 344771101 /nfs/dbraw/zinc/77/11/01/344771101.db2.gz GPFZGMTXYMAUIJ-MRVPVSSYSA-N 0 0 179.223 1.899 10 0 ADAERN Cc1noc(N[C@H]2CC=CCC2)n1 235967584 344771107 /nfs/dbraw/zinc/77/11/07/344771107.db2.gz GPFZGMTXYMAUIJ-QMMMGPOBSA-N 0 0 179.223 1.899 10 0 ADAERN Cc1noc(NC[C@H]2CCCS2)n1 235965217 344771108 /nfs/dbraw/zinc/77/11/08/344771108.db2.gz LUPJLSIKLQSKLW-SSDOTTSWSA-N 0 0 199.279 1.686 10 0 ADAERN Cc1nc(N)c2cc(O)ccc2n1 235971614 344771137 /nfs/dbraw/zinc/77/11/37/344771137.db2.gz FVGSRWRUPQWYOO-UHFFFAOYSA-N 0 0 175.191 1.226 10 0 ADAERN Cc1cnnc(NC2(C)CC2)c1 235974276 344771144 /nfs/dbraw/zinc/77/11/44/344771144.db2.gz XIJOAGALUPHJKU-UHFFFAOYSA-N 0 0 163.224 1.749 10 0 ADAERN Cc1noc(N[C@@H]2CCCSC2)n1 235967741 344771149 /nfs/dbraw/zinc/77/11/49/344771149.db2.gz MBSQQOWGCIRFIO-SSDOTTSWSA-N 0 0 199.279 1.686 10 0 ADAERN Cc1noc(NC[C@H]2CC2(C)C)n1 235965121 344771161 /nfs/dbraw/zinc/77/11/61/344771161.db2.gz IDVOAUORMNWHCX-SSDOTTSWSA-N 0 0 181.239 1.836 10 0 ADAERN Cc1noc(NC[C@@]2(C)CCCO2)n1 235965065 344771191 /nfs/dbraw/zinc/77/11/91/344771191.db2.gz NZCYRKXOKADMIL-SECBINFHSA-N 0 0 197.238 1.359 10 0 ADAERN Cc1noc(N[C@H]2CC2(C)C)n1 235967952 344771196 /nfs/dbraw/zinc/77/11/96/344771196.db2.gz TUMBIVHWHFXGEG-LURJTMIESA-N 0 0 167.212 1.588 10 0 ADAERN Cc1noc(N[C@@H]2CCSC2)n1 235967831 344771212 /nfs/dbraw/zinc/77/12/12/344771212.db2.gz RGNHITXOOXSIMT-ZCFIWIBFSA-N 0 0 185.252 1.295 10 0 ADAERN Cc1cc2n(n1)[C@@H]1CCC[C@H]1CN2 235996169 344771356 /nfs/dbraw/zinc/77/13/56/344771356.db2.gz MYVLYTPFOLYRAE-DTWKUNHWSA-N 0 0 177.251 1.958 10 0 ADAERN Cc1cnnc(NC2CCC2)c1 235974548 344771366 /nfs/dbraw/zinc/77/13/66/344771366.db2.gz JQMSTJZKVNJXBE-UHFFFAOYSA-N 0 0 163.224 1.749 10 0 ADAERN Cc1cnnc(NCC2CC2)c1 235975164 344771369 /nfs/dbraw/zinc/77/13/69/344771369.db2.gz DXDCPJGYODRXCT-UHFFFAOYSA-N 0 0 163.224 1.607 10 0 ADAERN O=C1NCCC[C@@H]1C/C=C/Cl 236017001 344771372 /nfs/dbraw/zinc/77/13/72/344771372.db2.gz FQXQURMDFBJQJN-QWJBODLLSA-N 0 0 173.643 1.655 10 0 ADAERN O=Cc1cn(C/C=C/Cl)cn1 236017407 344771374 /nfs/dbraw/zinc/77/13/74/344771374.db2.gz KFHOZSSJTLPQKV-OWOJBTEDSA-N 0 0 170.599 1.448 10 0 ADAERN O=CC(=O)c1csc(Cl)c1 236034797 344771383 /nfs/dbraw/zinc/77/13/83/344771383.db2.gz VORFWHZSPTVUTL-UHFFFAOYSA-N 0 0 174.608 1.783 10 0 ADAERN O=C1CC[C@@H](C/C=C/Cl)C(=O)N1 236016732 344771390 /nfs/dbraw/zinc/77/13/90/344771390.db2.gz CYYDREFRVONSLY-LPJWJBIBSA-N 0 0 187.626 1.182 10 0 ADAERN Cc1cc2n(n1)[C@H]1CCC[C@@H]1CN2 235996284 344771392 /nfs/dbraw/zinc/77/13/92/344771392.db2.gz MYVLYTPFOLYRAE-BDAKNGLRSA-N 0 0 177.251 1.958 10 0 ADAERN Cc1cnnc(NCC2(C)CC2)c1 235974769 344771408 /nfs/dbraw/zinc/77/14/08/344771408.db2.gz OWZPZYJPXFJSDS-UHFFFAOYSA-N 0 0 177.251 1.997 10 0 ADAERN O=C1NCC[C@@H]1C/C=C/Cl 236017022 344771409 /nfs/dbraw/zinc/77/14/09/344771409.db2.gz SKRRKDCXERUWNU-HBAKDTRXSA-N 0 0 159.616 1.265 10 0 ADAERN Cc1cnnc(NCCC2CC2)c1 235975317 344771415 /nfs/dbraw/zinc/77/14/15/344771415.db2.gz OBTGYKZNFQCVJI-UHFFFAOYSA-N 0 0 177.251 1.997 10 0 ADAERN Cc1nc(N)nc([C@H]2CC2(C)C)n1 235981349 344771435 /nfs/dbraw/zinc/77/14/35/344771435.db2.gz XPWHCWFUMSUIKR-ZCFIWIBFSA-N 0 0 178.239 1.276 10 0 ADAERN Cc1nc(N)nc([C@@H]2CC2(C)C)n1 235981316 344771437 /nfs/dbraw/zinc/77/14/37/344771437.db2.gz XPWHCWFUMSUIKR-LURJTMIESA-N 0 0 178.239 1.276 10 0 ADAERN O=C1CCOC[C@H]1C/C=C/Cl 236016854 344771438 /nfs/dbraw/zinc/77/14/38/344771438.db2.gz MJCJJMJORLPQAG-QBWWRVGNSA-N 0 0 174.627 1.735 10 0 ADAERN Cc1cnnc(NCc2c[nH]cn2)c1 235978208 344771442 /nfs/dbraw/zinc/77/14/42/344771442.db2.gz QNHNAACKWJZFQG-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN O=C1CC[C@H](C/C=C/Cl)C(=O)N1 236016950 344771453 /nfs/dbraw/zinc/77/14/53/344771453.db2.gz CYYDREFRVONSLY-SDMOAQIZSA-N 0 0 187.626 1.182 10 0 ADAERN Cc1cnnc(NCC2CCC2)c1 235975184 344771456 /nfs/dbraw/zinc/77/14/56/344771456.db2.gz VYKKMKAEVXHWHQ-UHFFFAOYSA-N 0 0 177.251 1.997 10 0 ADAERN O=C1CCOC[C@@H]1C/C=C/Cl 236017040 344771460 /nfs/dbraw/zinc/77/14/60/344771460.db2.gz MJCJJMJORLPQAG-FTSYCPQPSA-N 0 0 174.627 1.735 10 0 ADAERN O=C1NCC[C@H]1C/C=C/Cl 236016827 344771465 /nfs/dbraw/zinc/77/14/65/344771465.db2.gz SKRRKDCXERUWNU-VMQRWORZSA-N 0 0 159.616 1.265 10 0 ADAERN Cc1cc2n(n1)[C@@H]1CCC[C@@H]1CN2 235996292 344771496 /nfs/dbraw/zinc/77/14/96/344771496.db2.gz MYVLYTPFOLYRAE-RKDXNWHRSA-N 0 0 177.251 1.958 10 0 ADAERN Cc1cnnc(NC2CC2)c1 235974479 344771497 /nfs/dbraw/zinc/77/14/97/344771497.db2.gz HYGAOECMVADLEU-UHFFFAOYSA-N 0 0 149.197 1.359 10 0 ADAERN O=C1NCCC[C@H]1C/C=C/Cl 236016798 344771500 /nfs/dbraw/zinc/77/15/00/344771500.db2.gz FQXQURMDFBJQJN-ABVWVHJUSA-N 0 0 173.643 1.655 10 0 ADAERN Cc1cnnc(NC2CC=CC2)c1 235974489 344771503 /nfs/dbraw/zinc/77/15/03/344771503.db2.gz ZMAJVKPHPBBWFZ-UHFFFAOYSA-N 0 0 175.235 1.916 10 0 ADAERN Cc1cc2n(n1)[C@H]1CCC[C@H]1CN2 235996163 344771518 /nfs/dbraw/zinc/77/15/18/344771518.db2.gz MYVLYTPFOLYRAE-IUCAKERBSA-N 0 0 177.251 1.958 10 0 ADAERN Cc1cnnc(NCC2(O)CCC2)c1 235975028 344771519 /nfs/dbraw/zinc/77/15/19/344771519.db2.gz XLQWRBLVGZWSCH-UHFFFAOYSA-N 0 0 193.250 1.112 10 0 ADAERN Cc1cnnc(NC[C@H]2CCOC2)c1 235978073 344771534 /nfs/dbraw/zinc/77/15/34/344771534.db2.gz CCMFLBJQHKYGGF-SECBINFHSA-N 0 0 193.250 1.233 10 0 ADAERN C=CC(=O)Nc1cc(Cl)ncn1 236052891 344771694 /nfs/dbraw/zinc/77/16/94/344771694.db2.gz SMJQAYFVOONRHH-UHFFFAOYSA-N 0 0 183.598 1.255 10 0 ADAERN C=CC(=O)Nc1nccc(Cl)n1 236043033 344771700 /nfs/dbraw/zinc/77/17/00/344771700.db2.gz SXHTUQNFMYFOLW-UHFFFAOYSA-N 0 0 183.598 1.255 10 0 ADAERN O=C(Nc1nccc(Cl)n1)C1CC1 236044593 344771739 /nfs/dbraw/zinc/77/17/39/344771739.db2.gz HDGFYDXZZJCAIJ-UHFFFAOYSA-N 0 0 197.625 1.479 10 0 ADAERN Cn1ccnc1C(=O)[C@H]1CC1(C)C 236066509 344772007 /nfs/dbraw/zinc/77/20/07/344772007.db2.gz XIEFLQYYUGKUHB-SSDOTTSWSA-N 0 0 178.235 1.649 10 0 ADAERN O=c1[nH]nc(Cl)cc1-c1ccoc1 236074121 344772031 /nfs/dbraw/zinc/77/20/31/344772031.db2.gz ZWXLBENABMWLQY-UHFFFAOYSA-N 0 0 196.593 1.683 10 0 ADAERN Cn1cc(NC/C=C/Cl)cn1 236061192 344772051 /nfs/dbraw/zinc/77/20/51/344772051.db2.gz ATQSOHYDEBJMPW-NSCUHMNNSA-N 0 0 171.631 1.585 10 0 ADAERN CN1CC(=O)N=C1[C@H]1CCCS1 236062774 344772088 /nfs/dbraw/zinc/77/20/88/344772088.db2.gz PUOFASWUSUKSSC-ZCFIWIBFSA-N 0 0 184.264 1.694 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@@H]1CC1(C)C 236067596 344772102 /nfs/dbraw/zinc/77/21/02/344772102.db2.gz CQUQZTUARYTQOQ-YUMQZZPRSA-N 0 0 180.251 1.500 10 0 ADAERN CN1CC(=O)N=C1CC1CC1 236061678 344772129 /nfs/dbraw/zinc/77/21/29/344772129.db2.gz SCINUIIBJYIWON-UHFFFAOYSA-N 0 0 152.197 1.078 10 0 ADAERN CN1CC(=O)N=C1[C@@H]1CCCS1 236062427 344772132 /nfs/dbraw/zinc/77/21/32/344772132.db2.gz PUOFASWUSUKSSC-LURJTMIESA-N 0 0 184.264 1.694 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@H]1CC1(C)C 236067844 344772146 /nfs/dbraw/zinc/77/21/46/344772146.db2.gz CQUQZTUARYTQOQ-SFYZADRCSA-N 0 0 180.251 1.500 10 0 ADAERN O=CNc1ncnc(Cl)c1Cl 236068154 344772169 /nfs/dbraw/zinc/77/21/69/344772169.db2.gz YNCXWOCPSXUYLW-UHFFFAOYSA-N 0 0 192.005 1.352 10 0 ADAERN CN1CC(=O)N=C1Cc1ccccc1 236062276 344772180 /nfs/dbraw/zinc/77/21/80/344772180.db2.gz UPTLCTVVLZKMTG-UHFFFAOYSA-N 0 0 188.230 1.717 10 0 ADAERN CN1CC(=O)N=C1Cc1cccnc1 236062331 344772213 /nfs/dbraw/zinc/77/22/13/344772213.db2.gz LCLGZUIOAASLOC-UHFFFAOYSA-N 0 0 189.218 1.112 10 0 ADAERN O=c1[nH]nc(Cl)cc1-c1ccc[nH]1 236073413 344772251 /nfs/dbraw/zinc/77/22/51/344772251.db2.gz SOUQOQYCRPGUAO-UHFFFAOYSA-N 0 0 195.609 1.418 10 0 ADAERN CN1CC(=O)N=C1c1cccnc1 236063338 344772258 /nfs/dbraw/zinc/77/22/58/344772258.db2.gz CIHNTIYAILVKMN-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN O=c1[nH]nc(Cl)cc1-c1ccco1 236074032 344772264 /nfs/dbraw/zinc/77/22/64/344772264.db2.gz YRUUJFWRCGHRLL-UHFFFAOYSA-N 0 0 196.593 1.683 10 0 ADAERN Cn1ccnc1C(=O)[C@@H]1CC1(C)C 236066137 344772277 /nfs/dbraw/zinc/77/22/77/344772277.db2.gz XIEFLQYYUGKUHB-ZETCQYMHSA-N 0 0 178.235 1.649 10 0 ADAERN CN1CC(=O)N=C1c1cscn1 236063470 344772284 /nfs/dbraw/zinc/77/22/84/344772284.db2.gz KYXSEMCOPLRTRC-UHFFFAOYSA-N 0 0 181.220 1.249 10 0 ADAERN O=c1cc(-c2nnc(Cl)o2)cc[nH]1 236079505 344772413 /nfs/dbraw/zinc/77/24/13/344772413.db2.gz LELSSUIFJCALLM-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN O=c1cccc(-c2nc(Cl)no2)[nH]1 236080687 344772425 /nfs/dbraw/zinc/77/24/25/344772425.db2.gz VDVGTLCFBVOBBA-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN Clc1noc(-c2cncs2)n1 236080761 344772442 /nfs/dbraw/zinc/77/24/42/344772442.db2.gz CHMDKFUXAASUEA-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN O=c1ccc(-c2nnc(Cl)o2)c[nH]1 236079525 344772461 /nfs/dbraw/zinc/77/24/61/344772461.db2.gz LCZUUIPJHKLGMY-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN Cn1ccnc1-c1nccc(=S)[nH]1 236079132 344772467 /nfs/dbraw/zinc/77/24/67/344772467.db2.gz QXWHMZCJHAJVPR-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN O=c1ccc(-c2nc(Cl)no2)c[nH]1 236080622 344772486 /nfs/dbraw/zinc/77/24/86/344772486.db2.gz BKSZUNYUBDPTIQ-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN Clc1nnc(-c2cncs2)o1 236080269 344772495 /nfs/dbraw/zinc/77/24/95/344772495.db2.gz IUFDTVUWOIEZSY-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN Cn1ccnc1[C@H](O)[C@H]1CC1(C)C 236076617 344772519 /nfs/dbraw/zinc/77/25/19/344772519.db2.gz CQUQZTUARYTQOQ-HTQZYQBOSA-N 0 0 180.251 1.500 10 0 ADAERN Cn1ccnc1[C@H](O)[C@@H]1CC1(C)C 236076460 344772530 /nfs/dbraw/zinc/77/25/30/344772530.db2.gz CQUQZTUARYTQOQ-JGVFFNPUSA-N 0 0 180.251 1.500 10 0 ADAERN Cn1nccc1C(=O)[C@@H]1CC1(C)C 236075870 344772534 /nfs/dbraw/zinc/77/25/34/344772534.db2.gz MIROLWHMPXRPIB-ZETCQYMHSA-N 0 0 178.235 1.649 10 0 ADAERN O=c1cccc(-c2nnc(Cl)o2)[nH]1 236079661 344772545 /nfs/dbraw/zinc/77/25/45/344772545.db2.gz ZDMJZNRESXFPEP-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN O=c1cc[nH]cc1-c1nc(Cl)no1 236080547 344772551 /nfs/dbraw/zinc/77/25/51/344772551.db2.gz TVIONBQJLIDGEH-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN O=c1cc(-c2nc(Cl)no2)cc[nH]1 236080608 344772603 /nfs/dbraw/zinc/77/26/03/344772603.db2.gz PEBCPAUYQSYVNJ-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN Cn1ccc(C(=O)[C@H](O)C(C)(C)C)n1 236075353 344772618 /nfs/dbraw/zinc/77/26/18/344772618.db2.gz DGSRFAZKAVXIOF-VIFPVBQESA-N 0 0 196.250 1.010 10 0 ADAERN Cn1ccc(C(=O)[C@@H](O)C(C)(C)C)n1 236075326 344772620 /nfs/dbraw/zinc/77/26/20/344772620.db2.gz DGSRFAZKAVXIOF-SECBINFHSA-N 0 0 196.250 1.010 10 0 ADAERN Cn1nccc1C(=O)[C@H]1CC1(C)C 236076260 344772633 /nfs/dbraw/zinc/77/26/33/344772633.db2.gz MIROLWHMPXRPIB-SSDOTTSWSA-N 0 0 178.235 1.649 10 0 ADAERN O=c1cc[nH]cc1-c1nnc(Cl)o1 236079407 344772651 /nfs/dbraw/zinc/77/26/51/344772651.db2.gz PWMZCDUAMOLEMP-UHFFFAOYSA-N 0 0 197.581 1.078 10 0 ADAERN Cn1ncc(Cl)c1[C@@H](N)C(F)F 236081860 344772874 /nfs/dbraw/zinc/77/28/74/344772874.db2.gz YWQCMECYRZSOLQ-SCSAIBSYSA-N 0 0 195.600 1.338 10 0 ADAERN CN1C(=S)N=NC1[C@@H]1CC1(C)C 236085746 344772924 /nfs/dbraw/zinc/77/29/24/344772924.db2.gz OFLZBLFZOOECSE-YFKPBYRVSA-N 0 0 183.280 1.617 10 0 ADAERN Cn1nccc1[C@@H]1CC(=O)C1(C)C 236084266 344772928 /nfs/dbraw/zinc/77/29/28/344772928.db2.gz SMHMFNJDMPTGLA-ZETCQYMHSA-N 0 0 178.235 1.503 10 0 ADAERN Cn1ccc2ccc(C(N)=S)cc21 236081365 344773009 /nfs/dbraw/zinc/77/30/09/344773009.db2.gz ARYSKLXEXVRCTQ-UHFFFAOYSA-N 0 0 190.271 1.813 10 0 ADAERN Cn1nc([C@@H]2CC2(C)C)[nH]c1=S 236090207 344773151 /nfs/dbraw/zinc/77/31/51/344773151.db2.gz ASKFTUIBBKJEMV-YFKPBYRVSA-N 0 0 183.280 1.617 10 0 ADAERN COc1[nH]c(=O)ccc1Cl 238395828 344805092 /nfs/dbraw/zinc/80/50/92/344805092.db2.gz OZCFUQJGDSFVMY-UHFFFAOYSA-N 0 0 159.572 1.449 10 0 ADAERN Cn1nccc1C1=NC(=S)OC1 236092682 344773212 /nfs/dbraw/zinc/77/32/12/344773212.db2.gz TZLCXCRVAPBMLP-UHFFFAOYSA-N 0 0 181.220 1.364 10 0 ADAERN COc1cc(Cl)cc(=O)[nH]1 238418193 344806112 /nfs/dbraw/zinc/80/61/12/344806112.db2.gz ZJFLGEPZDMLPBZ-UHFFFAOYSA-N 0 0 159.572 1.449 10 0 ADAERN Cn1cnc(C(=O)C2CCCC2)c1 236090126 344773247 /nfs/dbraw/zinc/77/32/47/344773247.db2.gz RIUZZPVVORFJOR-UHFFFAOYSA-N 0 0 178.235 1.793 10 0 ADAERN Cn1cnc(C(=O)C2CCC2)c1 236090112 344773253 /nfs/dbraw/zinc/77/32/53/344773253.db2.gz ZXMCMIJJKXBJNB-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN Cn1nccc1-c1csc(C=O)n1 236092795 344773287 /nfs/dbraw/zinc/77/32/87/344773287.db2.gz PRQKVIGJIQLAJI-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cn1nccc1-c1c[nH]c(=S)[nH]1 236092615 344773299 /nfs/dbraw/zinc/77/32/99/344773299.db2.gz WVJVCQYCIYATGO-UHFFFAOYSA-N 0 0 180.236 1.099 10 0 ADAERN Cn1cnc(C(=O)C2CC2)c1 236090102 344773314 /nfs/dbraw/zinc/77/33/14/344773314.db2.gz MVNSWYXMVMTKEZ-UHFFFAOYSA-N 0 0 150.181 1.013 10 0 ADAERN Cn1nccc1-c1ccoc1C=O 236092452 344773398 /nfs/dbraw/zinc/77/33/98/344773398.db2.gz ASHINLWPVWWNGP-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN Cn1nccc1NC(=O)OC(C)(C)C 236091967 344773396 /nfs/dbraw/zinc/77/33/96/344773396.db2.gz RWPYIAYNEFMJFY-UHFFFAOYSA-N 0 0 197.238 1.767 10 0 ADAERN Cn1nccc1[C@H]1CC(=O)C1(C)C 236089929 344773409 /nfs/dbraw/zinc/77/34/09/344773409.db2.gz SMHMFNJDMPTGLA-SSDOTTSWSA-N 0 0 178.235 1.503 10 0 ADAERN Cn1nc(-c2ccc(Cl)o2)nc1N 236093721 344773433 /nfs/dbraw/zinc/77/34/33/344773433.db2.gz DXVLSTUMIOPYSP-UHFFFAOYSA-N 0 0 198.613 1.311 10 0 ADAERN Cn1nc(-c2ccoc2Cl)nc1N 236095403 344773518 /nfs/dbraw/zinc/77/35/18/344773518.db2.gz LTIZADOABAZTOZ-UHFFFAOYSA-N 0 0 198.613 1.311 10 0 ADAERN Cn1nc(-c2cncs2)[nH]c1=S 236095572 344773545 /nfs/dbraw/zinc/77/35/45/344773545.db2.gz OXPWPSJCONHBAC-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN Cn1cc([C@H](O)C2=CCCCC2)cn1 236095199 344773692 /nfs/dbraw/zinc/77/36/92/344773692.db2.gz DWESHZCNBULHIZ-LLVKDONJSA-N 0 0 192.262 1.954 10 0 ADAERN Cn1cncc1-c1nc(Cl)no1 236099631 344773700 /nfs/dbraw/zinc/77/37/00/344773700.db2.gz YBZQWGZZJJDWDU-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Cn1cnc([C@@H](O)C2CCC2)c1 236097846 344773787 /nfs/dbraw/zinc/77/37/87/344773787.db2.gz ORISUQZBXJPTHP-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN Cn1cnc([C@H](N)c2ccoc2)c1 236102626 344773924 /nfs/dbraw/zinc/77/39/24/344773924.db2.gz XNLGTYRUCRUYNH-SECBINFHSA-N 0 0 177.207 1.061 10 0 ADAERN Cn1ccc(N[C@@H]2C=CCCC2)n1 236100982 344773941 /nfs/dbraw/zinc/77/39/41/344773941.db2.gz VOPVJKFCNGJMOV-SECBINFHSA-N 0 0 177.251 1.941 10 0 ADAERN Cn1cc(-c2cn[nH]c(=S)c2)cn1 236101963 344773950 /nfs/dbraw/zinc/77/39/50/344773950.db2.gz IASSKDUJADXUFH-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc(N)c(Sc2ncco2)n1 236102067 344773958 /nfs/dbraw/zinc/77/39/58/344773958.db2.gz QEGPOMYWJKKOTQ-UHFFFAOYSA-N 0 0 196.235 1.142 10 0 ADAERN Cn1cc(C(=O)[C@H]2CC2(C)C)cn1 236101022 344773974 /nfs/dbraw/zinc/77/39/74/344773974.db2.gz RZJVXRFYKYHMMQ-MRVPVSSYSA-N 0 0 178.235 1.649 10 0 ADAERN Cn1cc(-c2ccoc2C=O)cn1 236101723 344773987 /nfs/dbraw/zinc/77/39/87/344773987.db2.gz VSJMVJXGPFIEPL-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN Cn1cc(N)c(-c2cncc(F)c2)n1 236102272 344773997 /nfs/dbraw/zinc/77/39/97/344773997.db2.gz FJAWZXKHDYIMDL-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cn1cc(-c2cncc(=S)[nH]2)cn1 236101900 344774027 /nfs/dbraw/zinc/77/40/27/344774027.db2.gz VJEQEROVXPDDDM-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc(N)c(NCC2(C)CC2)n1 236100655 344774033 /nfs/dbraw/zinc/77/40/33/344774033.db2.gz QJECSZKVBKLQEL-UHFFFAOYSA-N 0 0 180.255 1.214 10 0 ADAERN Cn1cc(-c2cccc(=S)[nH]2)cn1 236101615 344774047 /nfs/dbraw/zinc/77/40/47/344774047.db2.gz WXNJWPHELJQOHF-UHFFFAOYSA-N 0 0 191.259 1.771 10 0 ADAERN Cn1cncc1-c1nnc(Cl)o1 236100134 344774051 /nfs/dbraw/zinc/77/40/51/344774051.db2.gz XIWSNKBJRPRUNY-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Cn1cnc([C@H](N)c2ccco2)c1 236102573 344774063 /nfs/dbraw/zinc/77/40/63/344774063.db2.gz WKNGXRVJBPYDBD-VIFPVBQESA-N 0 0 177.207 1.061 10 0 ADAERN Cn1ccc(N[C@H]2C=CCCC2)n1 236100754 344774068 /nfs/dbraw/zinc/77/40/68/344774068.db2.gz VOPVJKFCNGJMOV-VIFPVBQESA-N 0 0 177.251 1.941 10 0 ADAERN Cn1cnc(-c2csc(N)n2)c1 236105634 344774070 /nfs/dbraw/zinc/77/40/70/344774070.db2.gz WPKXSGIVPKMIGY-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Cn1cnc([C@H](O)C2CCC2)c1 236103614 344774073 /nfs/dbraw/zinc/77/40/73/344774073.db2.gz ORISUQZBXJPTHP-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN Cn1cc(-c2ccc(=S)[nH]n2)cn1 236101512 344774077 /nfs/dbraw/zinc/77/40/77/344774077.db2.gz BVNAERWHYRDPPP-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc(-c2cc(=S)[nH]cn2)cn1 236100935 344774094 /nfs/dbraw/zinc/77/40/94/344774094.db2.gz IRJUTDRPXCZYDC-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc(C2=NC(=S)OC2)cn1 236101976 344774119 /nfs/dbraw/zinc/77/41/19/344774119.db2.gz PMXJAWHLPJILRR-UHFFFAOYSA-N 0 0 181.220 1.364 10 0 ADAERN Cn1cc(-c2nccc(=S)[nH]2)cn1 236102613 344774151 /nfs/dbraw/zinc/77/41/51/344774151.db2.gz WSFMUUBLCFIRKT-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1cc(C2N=NC(=S)S2)cn1 236102822 344774173 /nfs/dbraw/zinc/77/41/73/344774173.db2.gz VZMPHNXSWGJLRK-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN Cn1cnc(C(=O)c2ccsc2)c1 236109858 344774382 /nfs/dbraw/zinc/77/43/82/344774382.db2.gz WCPSWCMKIMLESH-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1cnc(C(=O)c2cccs2)c1 236109795 344774387 /nfs/dbraw/zinc/77/43/87/344774387.db2.gz JJWCIVIHCQDSBR-UHFFFAOYSA-N 0 0 192.243 1.713 10 0 ADAERN Cn1cc([C@@H](O)C2=CCCCC2)cn1 236110813 344774390 /nfs/dbraw/zinc/77/43/90/344774390.db2.gz DWESHZCNBULHIZ-NSHDSACASA-N 0 0 192.262 1.954 10 0 ADAERN Cn1cnc(-c2nnc(Cl)o2)c1 236106142 344774402 /nfs/dbraw/zinc/77/44/02/344774402.db2.gz XDKMSVDXOBVACF-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN FC(F)(F)Cc1nccc(=S)[nH]1 236107800 344774415 /nfs/dbraw/zinc/77/44/15/344774415.db2.gz JSKVAUJUYFMYBA-UHFFFAOYSA-N 0 0 194.181 1.870 10 0 ADAERN O=C1CCOC[C@H]1CCC(F)(F)F 236116539 344774425 /nfs/dbraw/zinc/77/44/25/344774425.db2.gz FJXATHKUALBKQG-ZCFIWIBFSA-N 0 0 196.168 1.935 10 0 ADAERN Cn1cc(N[C@H]2C=CCCC2)cn1 236111979 344774436 /nfs/dbraw/zinc/77/44/36/344774436.db2.gz GQVDAYASZQHSFQ-VIFPVBQESA-N 0 0 177.251 1.941 10 0 ADAERN Cn1cnc(C(=O)c2ccoc2)c1 236109842 344774458 /nfs/dbraw/zinc/77/44/58/344774458.db2.gz UUCGZYMYVGLHKC-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN Cn1cnc(C(=O)c2ccco2)c1 236109781 344774463 /nfs/dbraw/zinc/77/44/63/344774463.db2.gz WAXKKCUMVWORIG-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN Cn1cnc(-c2nc(Cl)no2)c1 236105877 344774470 /nfs/dbraw/zinc/77/44/70/344774470.db2.gz MOSSWWMJJNXQLQ-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Cn1cc(N[C@@H]2C=CCCC2)cn1 236112359 344774496 /nfs/dbraw/zinc/77/44/96/344774496.db2.gz GQVDAYASZQHSFQ-SECBINFHSA-N 0 0 177.251 1.941 10 0 ADAERN FC(F)CN[C@@H]1C=CCCC1 236121497 344774666 /nfs/dbraw/zinc/77/46/66/344774666.db2.gz PFGOBGWUGMUWGL-SSDOTTSWSA-N 0 0 161.195 1.950 10 0 ADAERN FC(F)CN[C@H]1C=CCCC1 236121061 344774794 /nfs/dbraw/zinc/77/47/94/344774794.db2.gz PFGOBGWUGMUWGL-ZETCQYMHSA-N 0 0 161.195 1.950 10 0 ADAERN FC(F)c1ccn(-c2cccnn2)n1 236135529 344774960 /nfs/dbraw/zinc/77/49/60/344774960.db2.gz OJMYSRWIIPEKJO-UHFFFAOYSA-N 0 0 196.160 1.600 10 0 ADAERN O=C(C(F)F)N1C[C@H]2CCC[C@@H]2C1 236133201 344774986 /nfs/dbraw/zinc/77/49/86/344774986.db2.gz KJOBFKSWWOGPJL-RNFRBKRXSA-N 0 0 189.205 1.510 10 0 ADAERN Cn1nc(C2(C)CCCCC2)nc1N 236132004 344775053 /nfs/dbraw/zinc/77/50/53/344775053.db2.gz OMNXDYIXBSQPST-UHFFFAOYSA-N 0 0 194.282 1.619 10 0 ADAERN O=C(C(F)F)N1C[C@@H]2CCC[C@H]2C1 236133145 344775091 /nfs/dbraw/zinc/77/50/91/344775091.db2.gz KJOBFKSWWOGPJL-BQBZGAKWSA-N 0 0 189.205 1.510 10 0 ADAERN O=C(Nc1cccc(F)n1)C(F)F 236142366 344775390 /nfs/dbraw/zinc/77/53/90/344775390.db2.gz BEDHSZVCVJSOLP-UHFFFAOYSA-N 0 0 190.124 1.424 10 0 ADAERN Fc1cnc(=S)[nH]c1C1CC1 236147388 344775532 /nfs/dbraw/zinc/77/55/32/344775532.db2.gz LWXHWHKLBCYRLC-UHFFFAOYSA-N 0 0 170.212 1.782 10 0 ADAERN O=C(C1CC1)C(F)(F)C(F)F 236147901 344775633 /nfs/dbraw/zinc/77/56/33/344775633.db2.gz BCABZMBWAZVLHM-UHFFFAOYSA-N 0 0 170.105 1.866 10 0 ADAERN O=C1CCOC[C@H]1CC(F)F 236151025 344775645 /nfs/dbraw/zinc/77/56/45/344775645.db2.gz OGLCUPSUUROBKH-RXMQYKEDSA-N 0 0 164.151 1.247 10 0 ADAERN Fc1c[nH]c(=S)nc1-c1ccc[nH]1 236147761 344775659 /nfs/dbraw/zinc/77/56/59/344775659.db2.gz SJSJDKWIJHQLDH-UHFFFAOYSA-N 0 0 195.222 1.900 10 0 ADAERN O=C1CCOC[C@@H]1CC(F)F 236151084 344775673 /nfs/dbraw/zinc/77/56/73/344775673.db2.gz OGLCUPSUUROBKH-YFKPBYRVSA-N 0 0 164.151 1.247 10 0 ADAERN O=C1NC[C@@H](c2cc(F)cc(F)c2)O1 236154060 344775907 /nfs/dbraw/zinc/77/59/07/344775907.db2.gz QBNIKYWBQNXNFS-QMMMGPOBSA-N 0 0 199.156 1.746 10 0 ADAERN N#CNCC1(C2CC2)CC1 236156256 344775979 /nfs/dbraw/zinc/77/59/79/344775979.db2.gz TUEQMOCGKSFHDJ-UHFFFAOYSA-N 0 0 136.198 1.247 10 0 ADAERN O=c1[nH]nc(-c2ccncc2F)s1 236159039 344776020 /nfs/dbraw/zinc/77/60/20/344776020.db2.gz COIFWEXFMAZCTM-UHFFFAOYSA-N 0 0 197.194 1.033 10 0 ADAERN NCc1nnc(-c2ccoc2Cl)o1 236173975 344776416 /nfs/dbraw/zinc/77/64/16/344776416.db2.gz HYZOYHDAEMZGQM-UHFFFAOYSA-N 0 0 199.597 1.442 10 0 ADAERN Cn1nncc1C(=O)[C@@H]1CC1(C)C 236176256 344776611 /nfs/dbraw/zinc/77/66/11/344776611.db2.gz QNKSPMXPIZFDMQ-LURJTMIESA-N 0 0 179.223 1.044 10 0 ADAERN Cn1nncc1C(=O)[C@H]1CC1(C)C 236177264 344776726 /nfs/dbraw/zinc/77/67/26/344776726.db2.gz QNKSPMXPIZFDMQ-ZCFIWIBFSA-N 0 0 179.223 1.044 10 0 ADAERN O=c1[nH]nc(-c2ccc(F)cc2)s1 236180293 344776739 /nfs/dbraw/zinc/77/67/39/344776739.db2.gz NYQZPJJWSBPXJM-UHFFFAOYSA-N 0 0 196.206 1.638 10 0 ADAERN NCc1noc(-c2ccoc2Cl)n1 236178276 344776745 /nfs/dbraw/zinc/77/67/45/344776745.db2.gz VGTLDSDCHFEMAW-UHFFFAOYSA-N 0 0 199.597 1.442 10 0 ADAERN NC(=O)c1cccc(NC2CC2)c1 236180062 344776783 /nfs/dbraw/zinc/77/67/83/344776783.db2.gz RVLOLHYMVHNYAG-UHFFFAOYSA-N 0 0 176.219 1.360 10 0 ADAERN NNCC1=CCCCCC1 236191884 344776948 /nfs/dbraw/zinc/77/69/48/344776948.db2.gz NEFQYOLXGOTGEF-UHFFFAOYSA-N 0 0 140.230 1.340 10 0 ADAERN Fc1ccc(NC2COC2)cn1 236189548 344776961 /nfs/dbraw/zinc/77/69/61/344776961.db2.gz JWPCCEBDZIRQQA-UHFFFAOYSA-N 0 0 168.171 1.031 10 0 ADAERN O=c1cc(-c2ccccc2F)cn[nH]1 236187786 344777042 /nfs/dbraw/zinc/77/70/42/344777042.db2.gz HWXFKDNDBIHKFW-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=CC(=O)c1cccc(F)c1F 236183963 344777071 /nfs/dbraw/zinc/77/70/71/344777071.db2.gz UHAHEYGFRLIVQT-UHFFFAOYSA-N 0 0 170.114 1.346 10 0 ADAERN NC(=O)Nc1c(N)ccc(F)c1F 236190458 344777080 /nfs/dbraw/zinc/77/70/80/344777080.db2.gz XGBZRPMUGRVESP-UHFFFAOYSA-N 0 0 187.149 1.038 10 0 ADAERN Fc1ccc(NC2CC2)cn1 236188201 344777094 /nfs/dbraw/zinc/77/70/94/344777094.db2.gz BUKOPJMMEBBXNF-UHFFFAOYSA-N 0 0 152.172 1.795 10 0 ADAERN NNC1=CCCCCCC1 236191354 344777138 /nfs/dbraw/zinc/77/71/38/344777138.db2.gz WHYDMSIGLVOCMR-UHFFFAOYSA-N 0 0 140.230 1.688 10 0 ADAERN NC(=O)Nc1cccc(NC2CC2)c1 236201908 344777480 /nfs/dbraw/zinc/77/74/80/344777480.db2.gz SPBDBEWMFOJKKR-UHFFFAOYSA-N 0 0 191.234 1.752 10 0 ADAERN NNCc1ccoc1Br 236196390 344777566 /nfs/dbraw/zinc/77/75/66/344777566.db2.gz FHNYSSRHQFFBID-UHFFFAOYSA-N 0 0 191.028 1.005 10 0 ADAERN NN[C@H](C1=CCCCC1)[C@@H]1CCCO1 236209890 344777750 /nfs/dbraw/zinc/77/77/50/344777750.db2.gz LBJCJXAVVJOFSR-WDEREUQCSA-N 0 0 196.294 1.498 10 0 ADAERN O=C1NCCc2c(Cl)cc(F)cc21 236217075 344777796 /nfs/dbraw/zinc/77/77/96/344777796.db2.gz LTELMNPTESHSDG-UHFFFAOYSA-N 0 0 199.612 1.765 10 0 ADAERN NC(=S)Cc1cncc(F)c1 236218771 344777881 /nfs/dbraw/zinc/77/78/81/344777881.db2.gz WVFZZQHREZXPDC-UHFFFAOYSA-N 0 0 170.212 1.049 10 0 ADAERN NC(=S)NCC1(C2CC2)CC1 236231101 344778134 /nfs/dbraw/zinc/77/81/34/344778134.db2.gz JWTZKMNBHQRIHB-UHFFFAOYSA-N 0 0 170.281 1.010 10 0 ADAERN NN[C@@H](C1=CCCCC1)[C@H]1CCCO1 236233435 344778213 /nfs/dbraw/zinc/77/82/13/344778213.db2.gz LBJCJXAVVJOFSR-MNOVXSKESA-N 0 0 196.294 1.498 10 0 ADAERN NNc1cnc(C(F)(F)F)s1 236236270 344778350 /nfs/dbraw/zinc/77/83/50/344778350.db2.gz MMSBTMPIEKDHGY-UHFFFAOYSA-N 0 0 183.158 1.448 10 0 ADAERN NC(=O)c1cccc(NCCF)c1 236242961 344778353 /nfs/dbraw/zinc/77/83/53/344778353.db2.gz BDDVROSXTGBUEN-UHFFFAOYSA-N 0 0 182.198 1.167 10 0 ADAERN NC(=S)N1CCc2ccc(F)cc21 236230472 344778380 /nfs/dbraw/zinc/77/83/80/344778380.db2.gz SHFYGODUCXFVBR-UHFFFAOYSA-N 0 0 196.250 1.432 10 0 ADAERN O=c1cc(-c2cccc(F)c2)cn[nH]1 236252689 344778659 /nfs/dbraw/zinc/77/86/59/344778659.db2.gz ZROCLDMZXKMPQH-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1[nH]nc(-c2cccc(F)c2)s1 236254230 344778795 /nfs/dbraw/zinc/77/87/95/344778795.db2.gz UITFERVRJKVXJI-UHFFFAOYSA-N 0 0 196.206 1.638 10 0 ADAERN NC(=O)c1sc(NC2CC2)cc1N 236266359 344778871 /nfs/dbraw/zinc/77/88/71/344778871.db2.gz GHWZZMYJKNSYMI-UHFFFAOYSA-N 0 0 197.263 1.004 10 0 ADAERN NN[C@@H](c1ccc(Cl)o1)C1CC1 236262260 344778887 /nfs/dbraw/zinc/77/88/87/344778887.db2.gz ZGOFRLCDZXHSPD-MRVPVSSYSA-N 0 0 186.642 1.847 10 0 ADAERN NC(=S)c1ccc(N)c(F)c1F 236249952 344778893 /nfs/dbraw/zinc/77/88/93/344778893.db2.gz COGGDTISFHLMCW-UHFFFAOYSA-N 0 0 188.202 1.181 10 0 ADAERN NN[C@H](C1=CCCCC1)[C@H]1CCCO1 236258572 344778895 /nfs/dbraw/zinc/77/88/95/344778895.db2.gz LBJCJXAVVJOFSR-GHMZBOCLSA-N 0 0 196.294 1.498 10 0 ADAERN O=c1cccc(-c2cncc(F)c2)[nH]1 236271813 344779217 /nfs/dbraw/zinc/77/92/17/344779217.db2.gz YIQIUWQEJWFNCL-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1[nH]c(-c2cncc(F)c2)cs1 236272600 344779319 /nfs/dbraw/zinc/77/93/19/344779319.db2.gz OJVXARQWHOVJGJ-UHFFFAOYSA-N 0 0 196.206 1.638 10 0 ADAERN NC(=O)C1(Nc2ccc(F)cc2)CC1 236270918 344779325 /nfs/dbraw/zinc/77/93/25/344779325.db2.gz QQUVSTPOMBHECZ-UHFFFAOYSA-N 0 0 194.209 1.256 10 0 ADAERN Fc1cncc(-c2c[nH]c(=S)[nH]2)c1 236272200 344779342 /nfs/dbraw/zinc/77/93/42/344779342.db2.gz JIMCDYNXIZMULH-UHFFFAOYSA-N 0 0 195.222 1.900 10 0 ADAERN O=c1[nH]nc(-c2cncc(F)c2)s1 236272950 344779383 /nfs/dbraw/zinc/77/93/83/344779383.db2.gz JAUXJGANCRTCIN-UHFFFAOYSA-N 0 0 197.194 1.033 10 0 ADAERN N[C@@H](Cc1cncs1)C(F)F 236294668 344779603 /nfs/dbraw/zinc/77/96/03/344779603.db2.gz FIJROOXCWSJKJM-YFKPBYRVSA-N 0 0 178.207 1.278 10 0 ADAERN NCc1nnc(NCC2CCCC2)o1 236277815 344779613 /nfs/dbraw/zinc/77/96/13/344779613.db2.gz UTLLYYIRKGXAPL-UHFFFAOYSA-N 0 0 196.254 1.130 10 0 ADAERN N#CNC(=O)c1cc(F)cnc1Cl 236279805 344779622 /nfs/dbraw/zinc/77/96/22/344779622.db2.gz MDMSLERMRZMDAR-UHFFFAOYSA-N 0 0 199.572 1.085 10 0 ADAERN N[C@@H](Cc1ccsc1)C(F)F 236292529 344779682 /nfs/dbraw/zinc/77/96/82/344779682.db2.gz KWVVBLZNGXYPRX-LURJTMIESA-N 0 0 177.219 1.883 10 0 ADAERN N[C@@H](Cc1ccco1)C(F)F 236288125 344779774 /nfs/dbraw/zinc/77/97/74/344779774.db2.gz KWPZILPSWPVMKF-LURJTMIESA-N 0 0 161.151 1.415 10 0 ADAERN NC(=O)C1=CC(=S)CS1 236285294 344779784 /nfs/dbraw/zinc/77/97/84/344779784.db2.gz APCGKPBDFJBNPX-UHFFFAOYSA-N 0 0 159.235 1.136 10 0 ADAERN O=c1nc(-c2ccoc2)c(F)c[nH]1 236279278 344779789 /nfs/dbraw/zinc/77/97/89/344779789.db2.gz SZQFNOGDTXTEGI-UHFFFAOYSA-N 0 0 180.138 1.169 10 0 ADAERN O=c1nc(-c2cccs2)c(F)c[nH]1 236279238 344779824 /nfs/dbraw/zinc/77/98/24/344779824.db2.gz KUUFILQQNVDYAW-UHFFFAOYSA-N 0 0 196.206 1.638 10 0 ADAERN O=c1nc(-c2ccco2)c(F)c[nH]1 236279217 344779915 /nfs/dbraw/zinc/77/99/15/344779915.db2.gz DAAJCVXRDDAGEA-UHFFFAOYSA-N 0 0 180.138 1.169 10 0 ADAERN NNc1ccnc(-c2ccc[nH]2)c1 236289992 344779923 /nfs/dbraw/zinc/77/99/23/344779923.db2.gz SMVFKODPRVMLDA-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN O=c1nc(-c2ccsc2)c(F)c[nH]1 236279295 344779973 /nfs/dbraw/zinc/77/99/73/344779973.db2.gz DZKODJIHYWYSNM-UHFFFAOYSA-N 0 0 196.206 1.638 10 0 ADAERN N[C@H](C1=COCCC1)C(F)F 236299643 344780070 /nfs/dbraw/zinc/78/00/70/344780070.db2.gz KTDNAWPTFPIJDB-ZCFIWIBFSA-N 0 0 163.167 1.273 10 0 ADAERN N[C@@H](Cc1nccs1)C(F)F 236296335 344780205 /nfs/dbraw/zinc/78/02/05/344780205.db2.gz ZGUGZBYXNWDXCZ-BYPYZUCNSA-N 0 0 178.207 1.278 10 0 ADAERN N[C@H](c1cncc(F)c1)C(F)F 236300082 344780239 /nfs/dbraw/zinc/78/02/39/344780239.db2.gz QSSONZMOJQRYBI-ZCFIWIBFSA-N 0 0 176.141 1.486 10 0 ADAERN N[C@@H](C1=CCCCC1)c1nc[nH]n1 236304946 344780252 /nfs/dbraw/zinc/78/02/52/344780252.db2.gz OZVLGKGOWVNWAU-QMMMGPOBSA-N 0 0 178.239 1.305 10 0 ADAERN N[C@H](C1=CCCCO1)C(F)F 236299617 344780402 /nfs/dbraw/zinc/78/04/02/344780402.db2.gz VWRAIJSGUWQVQS-ZCFIWIBFSA-N 0 0 163.167 1.273 10 0 ADAERN N[C@H](c1ccncc1F)C(F)F 236300058 344780448 /nfs/dbraw/zinc/78/04/48/344780448.db2.gz GQVKPMIZEXUSBL-ZCFIWIBFSA-N 0 0 176.141 1.486 10 0 ADAERN N[C@@H](c1ccncc1F)C(F)F 236310598 344780694 /nfs/dbraw/zinc/78/06/94/344780694.db2.gz GQVKPMIZEXUSBL-LURJTMIESA-N 0 0 176.141 1.486 10 0 ADAERN N[C@H](C1=CCCCC1)c1nc[nH]n1 236314302 344780737 /nfs/dbraw/zinc/78/07/37/344780737.db2.gz OZVLGKGOWVNWAU-MRVPVSSYSA-N 0 0 178.239 1.305 10 0 ADAERN N[C@H](Cc1cncs1)C(F)F 236315116 344780746 /nfs/dbraw/zinc/78/07/46/344780746.db2.gz FIJROOXCWSJKJM-RXMQYKEDSA-N 0 0 178.207 1.278 10 0 ADAERN N[C@H](Cc1ccoc1)C(F)F 236312738 344780787 /nfs/dbraw/zinc/78/07/87/344780787.db2.gz BNRRAQIXZUYJFH-ZCFIWIBFSA-N 0 0 161.151 1.415 10 0 ADAERN N[C@@H](C1=CCCCO1)C(F)F 236310263 344780819 /nfs/dbraw/zinc/78/08/19/344780819.db2.gz VWRAIJSGUWQVQS-LURJTMIESA-N 0 0 163.167 1.273 10 0 ADAERN N[C@@H](c1cncc(F)c1)C(F)F 236310625 344780843 /nfs/dbraw/zinc/78/08/43/344780843.db2.gz QSSONZMOJQRYBI-LURJTMIESA-N 0 0 176.141 1.486 10 0 ADAERN N[C@@H](C1=COCCC1)C(F)F 236310280 344780894 /nfs/dbraw/zinc/78/08/94/344780894.db2.gz KTDNAWPTFPIJDB-LURJTMIESA-N 0 0 163.167 1.273 10 0 ADAERN N[C@H](Cc1ccsc1)C(F)F 236313344 344780964 /nfs/dbraw/zinc/78/09/64/344780964.db2.gz KWVVBLZNGXYPRX-ZCFIWIBFSA-N 0 0 177.219 1.883 10 0 ADAERN N[C@H](Cc1nccs1)C(F)F 236317536 344781382 /nfs/dbraw/zinc/78/13/82/344781382.db2.gz ZGUGZBYXNWDXCZ-SCSAIBSYSA-N 0 0 178.207 1.278 10 0 ADAERN Nc1c[nH]nc1-c1cncc(F)c1 236324877 344781419 /nfs/dbraw/zinc/78/14/19/344781419.db2.gz TZSQYEIUFZKZCT-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN Nc1cccc(NC(=O)C(F)F)c1 236341120 344781722 /nfs/dbraw/zinc/78/17/22/344781722.db2.gz SBTGPWYMRIACGY-UHFFFAOYSA-N 0 0 186.161 1.472 10 0 ADAERN Nc1c(Cl)cccc1-c1nc[nH]n1 236327786 344781745 /nfs/dbraw/zinc/78/17/45/344781745.db2.gz MEUWITWQQSBETM-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Nc1c(Cl)cccc1-c1ncno1 236327792 344781781 /nfs/dbraw/zinc/78/17/81/344781781.db2.gz CDMGTWVWTMKTLK-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1cc(NCC(F)F)sn1 236341818 344781804 /nfs/dbraw/zinc/78/18/04/344781804.db2.gz HKXCUFQMOSXCNH-UHFFFAOYSA-N 0 0 179.195 1.402 10 0 ADAERN N[C@H](Cc1ccco1)C(F)F 236331548 344781840 /nfs/dbraw/zinc/78/18/40/344781840.db2.gz KWPZILPSWPVMKF-ZCFIWIBFSA-N 0 0 161.151 1.415 10 0 ADAERN Nc1cccnc1Nn1cccc1 236339965 344781820 /nfs/dbraw/zinc/78/18/20/344781820.db2.gz DMSSXDLEZLHXOJ-UHFFFAOYSA-N 0 0 174.207 1.341 10 0 ADAERN Nc1cc(N)c(Cl)c(F)c1N 236340503 344781956 /nfs/dbraw/zinc/78/19/56/344781956.db2.gz DANRHUDVJFQFOJ-UHFFFAOYSA-N 0 0 175.594 1.226 10 0 ADAERN Nc1cc(Cl)nc(NC2CC2)c1 236342087 344781997 /nfs/dbraw/zinc/78/19/97/344781997.db2.gz LQJNSNFKQFCJIB-UHFFFAOYSA-N 0 0 183.642 1.892 10 0 ADAERN Nc1nccnc1SC1CC1 236351106 344782164 /nfs/dbraw/zinc/78/21/64/344782164.db2.gz HJFZAIPZXWFFRO-UHFFFAOYSA-N 0 0 167.237 1.313 10 0 ADAERN Nc1cccnc1Sc1ncc[nH]1 236348857 344782178 /nfs/dbraw/zinc/78/21/78/344782178.db2.gz HTEIIHIJYXMQCV-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1cc(Sc2ncc[nH]2)ccn1 236350645 344782200 /nfs/dbraw/zinc/78/22/00/344782200.db2.gz FOUKYPPDRANXTG-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1ncccc1-c1ccc[nH]1 236345394 344782219 /nfs/dbraw/zinc/78/22/19/344782219.db2.gz GGSMWEODJQPRHH-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 ADAERN Nc1ncc(CO)c2ccccc12 236352236 344782230 /nfs/dbraw/zinc/78/22/30/344782230.db2.gz WBGTXEUQVKBFRJ-UHFFFAOYSA-N 0 0 174.203 1.309 10 0 ADAERN Nc1c[nH]c(C(F)(F)F)cc1=S 236347237 344782241 /nfs/dbraw/zinc/78/22/41/344782241.db2.gz AMITXUCSGSBPJR-UHFFFAOYSA-N 0 0 194.181 1.971 10 0 ADAERN Nc1cc(N2CCCC2)sn1 236344695 344782246 /nfs/dbraw/zinc/78/22/46/344782246.db2.gz LMFNKQUEPHCVNS-UHFFFAOYSA-N 0 0 169.253 1.326 10 0 ADAERN Nc1cc(Cl)nc(-n2cccn2)c1 236346949 344782260 /nfs/dbraw/zinc/78/22/60/344782260.db2.gz AVBAQNYMKJHFKX-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cccnc1-c1ccc[nH]1 236349975 344782263 /nfs/dbraw/zinc/78/22/63/344782263.db2.gz LPELFMHHKGGFNY-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 ADAERN Nc1cc(Cl)nc(-n2ccnc2)c1 236346964 344782286 /nfs/dbraw/zinc/78/22/86/344782286.db2.gz JXVYBGZLVBSYTB-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cc(Sc2ncco2)ccn1 236350876 344782304 /nfs/dbraw/zinc/78/23/04/344782304.db2.gz REEHHZUJXLRCNU-UHFFFAOYSA-N 0 0 193.231 1.803 10 0 ADAERN Nc1cc(Sc2ncco2)ncn1 236350908 344782316 /nfs/dbraw/zinc/78/23/16/344782316.db2.gz DQUKITMQUIOBQP-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN Nc1ccc(NCC(F)F)cc1N 236350322 344782362 /nfs/dbraw/zinc/78/23/62/344782362.db2.gz HTJUMQPGUAFLDT-UHFFFAOYSA-N 0 0 187.193 1.528 10 0 ADAERN Nc1nccnc1SC(F)F 236351069 344782421 /nfs/dbraw/zinc/78/24/21/344782421.db2.gz HMKDJKLIWLDHII-UHFFFAOYSA-N 0 0 177.179 1.374 10 0 ADAERN Nc1cccc2nc[nH]c(=S)c12 236347526 344782430 /nfs/dbraw/zinc/78/24/30/344782430.db2.gz AOISYJSDTZUJOO-UHFFFAOYSA-N 0 0 177.232 1.501 10 0 ADAERN Nc1nnc(C(F)(F)C(F)F)o1 236362648 344782581 /nfs/dbraw/zinc/78/25/81/344782581.db2.gz MLXKAUGCLNIGOP-UHFFFAOYSA-N 0 0 185.080 1.009 10 0 ADAERN Nc1ccc(Sc2ncc[nH]2)cn1 236363309 344782582 /nfs/dbraw/zinc/78/25/82/344782582.db2.gz HSKDOAZOXXBPJQ-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1ncnc(Cl)c1-c1ncc[nH]1 236360563 344782595 /nfs/dbraw/zinc/78/25/95/344782595.db2.gz BULWPKCIOQVHGA-UHFFFAOYSA-N 0 0 195.613 1.102 10 0 ADAERN Nc1ccnc(Sc2ncco2)c1 236359694 344782597 /nfs/dbraw/zinc/78/25/97/344782597.db2.gz ULURSSGVQGKTIZ-UHFFFAOYSA-N 0 0 193.231 1.803 10 0 ADAERN Nc1ccnc(-c2ccc[nH]2)n1 236360044 344782601 /nfs/dbraw/zinc/78/26/01/344782601.db2.gz WAKWCSYTFLQSSB-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1cc(-c2cncs2)no1 236358936 344782602 /nfs/dbraw/zinc/78/26/02/344782602.db2.gz HSRDQPRRUCOHQI-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1cc(NCC2CC2)sn1 236356846 344782608 /nfs/dbraw/zinc/78/26/08/344782608.db2.gz RLVJXAGYGFAXLT-UHFFFAOYSA-N 0 0 169.253 1.547 10 0 ADAERN Nc1ccnc(Sc2ncco2)n1 236359708 344782613 /nfs/dbraw/zinc/78/26/13/344782613.db2.gz MTTNNVMAQMUYJG-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN Nc1ccc(Sc2ncc[nH]2)nc1 236363319 344782614 /nfs/dbraw/zinc/78/26/14/344782614.db2.gz GGNMVEKGPOFJKJ-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1cc(NCC2CCC2)sn1 236356919 344782622 /nfs/dbraw/zinc/78/26/22/344782622.db2.gz XVZZLGADBXOKKJ-UHFFFAOYSA-N 0 0 183.280 1.937 10 0 ADAERN Nc1cccnc1N1CC=CCC1 236359186 344782640 /nfs/dbraw/zinc/78/26/40/344782640.db2.gz APKYFHZIEKDLKN-UHFFFAOYSA-N 0 0 175.235 1.430 10 0 ADAERN Nc1cnc(-c2ccc[nH]2)cn1 236359716 344782646 /nfs/dbraw/zinc/78/26/46/344782646.db2.gz YTXIGTGQSODCGW-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1cnc(Cl)nc1NCC1CC1 236360083 344782653 /nfs/dbraw/zinc/78/26/53/344782653.db2.gz VYSHPOKWDCBJIG-UHFFFAOYSA-N 0 0 198.657 1.534 10 0 ADAERN Nc1cc(NC2CCC2)sn1 236355237 344782654 /nfs/dbraw/zinc/78/26/54/344782654.db2.gz GQJFIKFJXRUZGY-UHFFFAOYSA-N 0 0 169.253 1.690 10 0 ADAERN Nc1cnc(Sc2ncco2)nc1 236359180 344782657 /nfs/dbraw/zinc/78/26/57/344782657.db2.gz RUYKSMYRKMIREH-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN Nc1cnc(Sc2ncco2)cn1 236359160 344782664 /nfs/dbraw/zinc/78/26/64/344782664.db2.gz RGHYLMGGCAEJLK-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN Nc1ccc(Sc2ncco2)nc1 236363920 344782674 /nfs/dbraw/zinc/78/26/74/344782674.db2.gz GOTMSZMYQQXRIY-UHFFFAOYSA-N 0 0 193.231 1.803 10 0 ADAERN Nc1cc(-c2ccc[nH]2)ccn1 236355261 344782676 /nfs/dbraw/zinc/78/26/76/344782676.db2.gz UGEFSAYBBVJSPT-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 ADAERN Nc1cnc(Cl)nc1N1CCCC1 236357651 344782679 /nfs/dbraw/zinc/78/26/79/344782679.db2.gz RKZAGFHKROLEOT-UHFFFAOYSA-N 0 0 198.657 1.312 10 0 ADAERN Nc1nc(-c2cccc(O)c2)no1 236363829 344782695 /nfs/dbraw/zinc/78/26/95/344782695.db2.gz IWVYOMFYCRIIMB-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN Nc1cc(NC[C@H]2CCOC2)sn1 236363724 344782701 /nfs/dbraw/zinc/78/27/01/344782701.db2.gz NABKTSGVKLGRIF-ZCFIWIBFSA-N 0 0 199.279 1.174 10 0 ADAERN Nc1nccnc1Sc1ncco1 236359194 344782702 /nfs/dbraw/zinc/78/27/02/344782702.db2.gz ALTPPDOYMZDXIQ-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN Nc1cc(-c2ccoc2Cl)[nH]n1 236358298 344782705 /nfs/dbraw/zinc/78/27/05/344782705.db2.gz GPBDOBSAPCNKRQ-UHFFFAOYSA-N 0 0 183.598 1.905 10 0 ADAERN Nc1cc(NC2CC2)sn1 236354980 344782711 /nfs/dbraw/zinc/78/27/11/344782711.db2.gz WWHKCFKYNBICRV-UHFFFAOYSA-N 0 0 155.226 1.300 10 0 ADAERN Nc1cc(Cl)[nH]c(=S)c1 236353235 344782713 /nfs/dbraw/zinc/78/27/13/344782713.db2.gz LOQXUDIDTXFTHF-UHFFFAOYSA-N 0 0 160.629 1.606 10 0 ADAERN Nc1cc(NC2CCOCC2)sn1 236355776 344782723 /nfs/dbraw/zinc/78/27/23/344782723.db2.gz PDJROYHXHGUXCA-UHFFFAOYSA-N 0 0 199.279 1.316 10 0 ADAERN Nc1cc(-c2cncs2)on1 236358954 344782741 /nfs/dbraw/zinc/78/27/41/344782741.db2.gz KHCTXEVOQDTKHL-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Nc1ccnc(Sc2ncc[nH]2)c1 236359627 344782756 /nfs/dbraw/zinc/78/27/56/344782756.db2.gz MZDUVOGEWKRRTO-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1cc(NC[C@@H]2CCCO2)sn1 236362238 344782771 /nfs/dbraw/zinc/78/27/71/344782771.db2.gz AIDQQAINKNBRDX-LURJTMIESA-N 0 0 199.279 1.316 10 0 ADAERN Nc1cc(-c2ccc(Cl)o2)[nH]n1 236354192 344782773 /nfs/dbraw/zinc/78/27/73/344782773.db2.gz AMLZMESPANBOEM-UHFFFAOYSA-N 0 0 183.598 1.905 10 0 ADAERN Nc1cnc(-n2ccnc2)c(Cl)c1 236360217 344782776 /nfs/dbraw/zinc/78/27/76/344782776.db2.gz NNWSFIDHZGIZKV-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN Nc1cc(NC[C@@H]2CCOC2)sn1 236362691 344782791 /nfs/dbraw/zinc/78/27/91/344782791.db2.gz NABKTSGVKLGRIF-LURJTMIESA-N 0 0 199.279 1.174 10 0 ADAERN Nc1cnc(Cl)nc1NC1CCC1 236359754 344782794 /nfs/dbraw/zinc/78/27/94/344782794.db2.gz WDUSBQCOZHBKHM-UHFFFAOYSA-N 0 0 198.657 1.677 10 0 ADAERN Nc1cc(-c2cncs2)[nH]n1 236358865 344782801 /nfs/dbraw/zinc/78/28/01/344782801.db2.gz MSHOQTPDVRXOHQ-UHFFFAOYSA-N 0 0 166.209 1.115 10 0 ADAERN Nc1ccc(Sc2ncco2)cn1 236363912 344782807 /nfs/dbraw/zinc/78/28/07/344782807.db2.gz LTEANYNADHFHRX-UHFFFAOYSA-N 0 0 193.231 1.803 10 0 ADAERN Nc1ncnc(-c2ccoc2)c1Cl 236368322 344783017 /nfs/dbraw/zinc/78/30/17/344783017.db2.gz QHJOXUSYJBPTJI-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1cc(NCc2cn[nH]c2)sn1 236366651 344783024 /nfs/dbraw/zinc/78/30/24/344783024.db2.gz DAFMQVQXWMCFMY-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN Nc1ccc(NC2CCC2)cc1N 236366039 344783032 /nfs/dbraw/zinc/78/30/32/344783032.db2.gz RDZWJPASTJDGQJ-UHFFFAOYSA-N 0 0 177.251 1.815 10 0 ADAERN Nc1ccc(NC2CC2)cc1N 236365803 344783041 /nfs/dbraw/zinc/78/30/41/344783041.db2.gz BCTDMPDXDHFZOF-UHFFFAOYSA-N 0 0 163.224 1.425 10 0 ADAERN Nc1nsc(N)c1-c1ccncc1 236371458 344783049 /nfs/dbraw/zinc/78/30/49/344783049.db2.gz QJMYPFBETHJBAZ-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1nc(N2CCCC2)c(F)cc1F 236371375 344783052 /nfs/dbraw/zinc/78/30/52/344783052.db2.gz PIOPTTKTZHAVGX-UHFFFAOYSA-N 0 0 199.204 1.542 10 0 ADAERN Nc1cc(NCc2cc[nH]n2)sn1 236364217 344783053 /nfs/dbraw/zinc/78/30/53/344783053.db2.gz MAGRVLRNEJLGCU-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN Nc1nc(NC2CC2)c(F)cc1F 236375012 344783074 /nfs/dbraw/zinc/78/30/74/344783074.db2.gz KOENAKCYQSCYDS-UHFFFAOYSA-N 0 0 185.177 1.516 10 0 ADAERN Nc1c[nH]c(=S)c(Cl)c1 236369175 344783088 /nfs/dbraw/zinc/78/30/88/344783088.db2.gz UPFZEFIRWHQDOG-UHFFFAOYSA-N 0 0 160.629 1.606 10 0 ADAERN Nc1cc(N[C@@H]2CCCOC2)sn1 236368185 344783090 /nfs/dbraw/zinc/78/30/90/344783090.db2.gz ZYMDICGDWBALAR-ZCFIWIBFSA-N 0 0 199.279 1.316 10 0 ADAERN Nc1nc(-c2ncccc2Cl)no1 236365350 344783112 /nfs/dbraw/zinc/78/31/12/344783112.db2.gz YCSFCPUXTATLAT-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN Nc1ccc(Sc2ncco2)nn1 236363971 344783126 /nfs/dbraw/zinc/78/31/26/344783126.db2.gz PGHJVBNWTAGELK-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN Nc1nsc(N)c1C1CC1 236371416 344783128 /nfs/dbraw/zinc/78/31/28/344783128.db2.gz SMXLEIVBTOEVTB-UHFFFAOYSA-N 0 0 155.226 1.185 10 0 ADAERN Nc1ccc(-c2ccc[nH]2)cn1 236375823 344783132 /nfs/dbraw/zinc/78/31/32/344783132.db2.gz KBQQOLBECSIMJP-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 ADAERN Nc1ccc([C@H](O)c2ccoc2)cc1 236370546 344783140 /nfs/dbraw/zinc/78/31/40/344783140.db2.gz KEDCZRZLVHWXBV-NSHDSACASA-N 0 0 189.214 1.944 10 0 ADAERN Nc1cc(NCc2c[nH]cn2)sn1 236363943 344783144 /nfs/dbraw/zinc/78/31/44/344783144.db2.gz AXLXHDUHICPLPX-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN Nc1ccc([C@@H](O)c2ccoc2)cc1 236367899 344783153 /nfs/dbraw/zinc/78/31/53/344783153.db2.gz KEDCZRZLVHWXBV-LLVKDONJSA-N 0 0 189.214 1.944 10 0 ADAERN Nc1nsc(N)c1-c1cccnc1 236371447 344783171 /nfs/dbraw/zinc/78/31/71/344783171.db2.gz FSUQEKXUUHXWOL-UHFFFAOYSA-N 0 0 192.247 1.370 10 0 ADAERN Nc1ccc(NCC2CC2)cc1N 236367737 344783186 /nfs/dbraw/zinc/78/31/86/344783186.db2.gz FAEDKXDOQIHAEL-UHFFFAOYSA-N 0 0 177.251 1.673 10 0 ADAERN Nc1ccc([C@@H](O)C2CC2)cc1 236364316 344783200 /nfs/dbraw/zinc/78/32/00/344783200.db2.gz AFADACHBQNILQJ-JTQLQIEISA-N 0 0 163.220 1.712 10 0 ADAERN Nc1nsc(NCCO)c1C1CC1 236372325 344783218 /nfs/dbraw/zinc/78/32/18/344783218.db2.gz LNUFLZQQAUMIPF-UHFFFAOYSA-N 0 0 199.279 1.007 10 0 ADAERN Nc1ccc([C@H](O)C2CC2)cc1 236368070 344783229 /nfs/dbraw/zinc/78/32/29/344783229.db2.gz AFADACHBQNILQJ-SNVBAGLBSA-N 0 0 163.220 1.712 10 0 ADAERN Nc1cc(=NN2CCCCC2)s[nH]1 236367079 344783242 /nfs/dbraw/zinc/78/32/42/344783242.db2.gz ZSVYELHJSLEFNY-UHFFFAOYSA-N 0 0 198.295 1.538 10 0 ADAERN Nc1cncc(Sc2ncco2)n1 236371124 344783255 /nfs/dbraw/zinc/78/32/55/344783255.db2.gz WNOHZGQNNFFKDD-UHFFFAOYSA-N 0 0 194.219 1.198 10 0 ADAERN Nc1nnc(N2CCCCCC2)o1 236375577 344783257 /nfs/dbraw/zinc/78/32/57/344783257.db2.gz LOYIISIMEPOEEK-UHFFFAOYSA-N 0 0 182.227 1.032 10 0 ADAERN Nc1ccc(Nn2cccc2)nc1 236364968 344783265 /nfs/dbraw/zinc/78/32/65/344783265.db2.gz FYHBNOZSNLCVSZ-UHFFFAOYSA-N 0 0 174.207 1.341 10 0 ADAERN Nc1cc(N[C@H]2CCCOC2)sn1 236368853 344783270 /nfs/dbraw/zinc/78/32/70/344783270.db2.gz ZYMDICGDWBALAR-LURJTMIESA-N 0 0 199.279 1.316 10 0 ADAERN Nc1cc(Cl)nc(N2CCCO2)c1 236367751 344783275 /nfs/dbraw/zinc/78/32/75/344783275.db2.gz KXEMHFDRZJGVFL-UHFFFAOYSA-N 0 0 199.641 1.459 10 0 ADAERN Nc1cc(NCc2ncc[nH]2)sn1 236366834 344783277 /nfs/dbraw/zinc/78/32/77/344783277.db2.gz FDUJEBFQYZNPFF-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN Nc1nsc(N)c1-c1ccccc1 236371436 344783282 /nfs/dbraw/zinc/78/32/82/344783282.db2.gz TYSDLQOCZXVZNX-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Nc1ncnc(-c2ccco2)c1Cl 236368278 344783290 /nfs/dbraw/zinc/78/32/90/344783290.db2.gz CIMPAOLPTFNHOT-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Nc1nnc(NCc2ccsc2)o1 236378570 344783423 /nfs/dbraw/zinc/78/34/23/344783423.db2.gz HHBYJEZSRUUTNR-UHFFFAOYSA-N 0 0 196.235 1.325 10 0 ADAERN Nc1nnc(NC2CCCC2)o1 236376925 344783427 /nfs/dbraw/zinc/78/34/27/344783427.db2.gz SWLDLNDYFCBUJO-UHFFFAOYSA-N 0 0 168.200 1.006 10 0 ADAERN Nc1cccc(Sc2ncco2)n1 236378884 344783444 /nfs/dbraw/zinc/78/34/44/344783444.db2.gz KWAZATVKVDYBDL-UHFFFAOYSA-N 0 0 193.231 1.803 10 0 ADAERN Nc1nnc(Nc2ccsc2)o1 236379832 344783472 /nfs/dbraw/zinc/78/34/72/344783472.db2.gz QRFAOFFXSAUFNG-UHFFFAOYSA-N 0 0 182.208 1.457 10 0 ADAERN Nc1nnc(-c2ccc(Cl)o2)o1 236382725 344783479 /nfs/dbraw/zinc/78/34/79/344783479.db2.gz XOFBBSTVJZBSJY-UHFFFAOYSA-N 0 0 185.570 1.565 10 0 ADAERN Nc1ncccc1OC/C=C/Cl 236378057 344783520 /nfs/dbraw/zinc/78/35/20/344783520.db2.gz ITEPEYGCXYKZNM-DUXPYHPUSA-N 0 0 184.626 1.795 10 0 ADAERN Nc1nnc(NCC2CCCCC2)o1 236377110 344783543 /nfs/dbraw/zinc/78/35/43/344783543.db2.gz ICFQOCXWABYKHL-UHFFFAOYSA-N 0 0 196.254 1.644 10 0 ADAERN Nc1ccc(SC2COC2)cc1N 236379871 344783550 /nfs/dbraw/zinc/78/35/50/344783550.db2.gz NHHCUBDXHBBCDL-UHFFFAOYSA-N 0 0 196.275 1.342 10 0 ADAERN Nc1cnc(N2CCCO2)c(Cl)c1 236376878 344783554 /nfs/dbraw/zinc/78/35/54/344783554.db2.gz OUNWXAOQITXNKM-UHFFFAOYSA-N 0 0 199.641 1.459 10 0 ADAERN Nc1ccc(-c2ccc[nH]2)nc1 236375835 344783609 /nfs/dbraw/zinc/78/36/09/344783609.db2.gz KNXRRSRQEVLNTF-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 ADAERN Nc1ccc(-c2ncno2)c(F)c1 236377569 344783615 /nfs/dbraw/zinc/78/36/15/344783615.db2.gz OFCVHPMDERGZPP-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN Nc1ccc(-c2nc(N)no2)c(F)c1 236377278 344783631 /nfs/dbraw/zinc/78/36/31/344783631.db2.gz OPJNURPEMGPYMP-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN Nc1nc(NCC2CC2)c(F)cc1F 236377365 344783648 /nfs/dbraw/zinc/78/36/48/344783648.db2.gz VBQFZPRDMUBLEU-UHFFFAOYSA-N 0 0 199.204 1.764 10 0 ADAERN Nc1cccc(Sc2ncc[nH]2)n1 236378816 344783671 /nfs/dbraw/zinc/78/36/71/344783671.db2.gz URDWLGLEGXIMFO-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1nnc(NCC2CCCC2)o1 236377096 344783678 /nfs/dbraw/zinc/78/36/78/344783678.db2.gz NNUXLPAQENRAMR-UHFFFAOYSA-N 0 0 182.227 1.254 10 0 ADAERN O=C(CC1OCCO1)c1ccoc1 236395641 344783744 /nfs/dbraw/zinc/78/37/44/344783744.db2.gz FBOFRMZOHOREKG-UHFFFAOYSA-N 0 0 182.175 1.225 10 0 ADAERN Nc1noc(-c2ccoc2Cl)n1 236393529 344783747 /nfs/dbraw/zinc/78/37/47/344783747.db2.gz KJPCVVRXPIERFI-UHFFFAOYSA-N 0 0 185.570 1.565 10 0 ADAERN O=C(CC1OCCO1)c1cccnc1 236395619 344783756 /nfs/dbraw/zinc/78/37/56/344783756.db2.gz CQXVPJHIBWBSHQ-UHFFFAOYSA-N 0 0 193.202 1.027 10 0 ADAERN Nc1ncc(-c2ccc[nH]2)s1 236384637 344783783 /nfs/dbraw/zinc/78/37/83/344783783.db2.gz JCEMPPQGKWHDJD-UHFFFAOYSA-N 0 0 165.221 1.720 10 0 ADAERN Nc1cnccc1Sc1ncco1 236387337 344783809 /nfs/dbraw/zinc/78/38/09/344783809.db2.gz HPIWEIQBZZTJAX-UHFFFAOYSA-N 0 0 193.231 1.803 10 0 ADAERN O=C(CC1OCCO1)c1cccs1 236395632 344783836 /nfs/dbraw/zinc/78/38/36/344783836.db2.gz AIEMGWOMEHSREB-UHFFFAOYSA-N 0 0 198.243 1.694 10 0 ADAERN Nc1noc(-c2ccc(Cl)o2)n1 236390575 344783839 /nfs/dbraw/zinc/78/38/39/344783839.db2.gz CESCIHGYVDXWEC-UHFFFAOYSA-N 0 0 185.570 1.565 10 0 ADAERN Nc1cnccc1-c1ccc[nH]1 236388271 344783872 /nfs/dbraw/zinc/78/38/72/344783872.db2.gz KHUVNSDAKNKRPG-UHFFFAOYSA-N 0 0 159.192 1.659 10 0 ADAERN Nc1nccc(Nc2cccnc2)n1 236386550 344783940 /nfs/dbraw/zinc/78/39/40/344783940.db2.gz DUXPOVFPGWQTCS-UHFFFAOYSA-N 0 0 187.206 1.197 10 0 ADAERN Nc1ncnc(C2CC2)c1Cl 236388674 344783967 /nfs/dbraw/zinc/78/39/67/344783967.db2.gz WMQSLOLBBTVZNU-UHFFFAOYSA-N 0 0 169.615 1.590 10 0 ADAERN Nc1n[nH]c(-c2ccoc2Cl)n1 236383539 344784079 /nfs/dbraw/zinc/78/40/79/344784079.db2.gz BJFKCUNOWXFABC-UHFFFAOYSA-N 0 0 184.586 1.300 10 0 ADAERN Nc1nnc(-c2ccoc2Cl)o1 236383567 344784084 /nfs/dbraw/zinc/78/40/84/344784084.db2.gz RKNBAVXRQHTNMJ-UHFFFAOYSA-N 0 0 185.570 1.565 10 0 ADAERN Nc1cnccc1Sc1ncc[nH]1 236387272 344784088 /nfs/dbraw/zinc/78/40/88/344784088.db2.gz ZIOKJSCUYVWISK-UHFFFAOYSA-N 0 0 192.247 1.538 10 0 ADAERN Nc1ncnc(NC2CC2)c1Cl 236390234 344784097 /nfs/dbraw/zinc/78/40/97/344784097.db2.gz XXCCNTAICHWDFX-UHFFFAOYSA-N 0 0 184.630 1.287 10 0 ADAERN Nc1ncnc(OC2CCC2)c1Cl 236395819 344784326 /nfs/dbraw/zinc/78/43/26/344784326.db2.gz JPJOTMJCCUKDKQ-UHFFFAOYSA-N 0 0 199.641 1.644 10 0 ADAERN O=C1CCC[C@@H]1Sc1ncc[nH]1 236407365 344784693 /nfs/dbraw/zinc/78/46/93/344784693.db2.gz QYOYXMRJLVIGNP-ZETCQYMHSA-N 0 0 182.248 1.623 10 0 ADAERN O=Cc1occc1-c1cncnc1 236410656 344784752 /nfs/dbraw/zinc/78/47/52/344784752.db2.gz IQZHKBAEGAKUKW-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN O=C1CC[C@@H](Sc2ncc[nH]2)C1 236410464 344784759 /nfs/dbraw/zinc/78/47/59/344784759.db2.gz LHRSLEIEHHQIQM-SSDOTTSWSA-N 0 0 182.248 1.623 10 0 ADAERN O=C1CCC[C@H]1Sc1ncc[nH]1 236409874 344784771 /nfs/dbraw/zinc/78/47/71/344784771.db2.gz QYOYXMRJLVIGNP-SSDOTTSWSA-N 0 0 182.248 1.623 10 0 ADAERN O=c1cc(OC2CCCC2)nc[nH]1 236411884 344784774 /nfs/dbraw/zinc/78/47/74/344784774.db2.gz KYSZKCSBVDVQGC-UHFFFAOYSA-N 0 0 180.207 1.091 10 0 ADAERN O=c1cc(-c2ccco2)cn[nH]1 236412258 344784789 /nfs/dbraw/zinc/78/47/89/344784789.db2.gz FRWVKQHISZPWKN-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=C1CCC[C@H]1Sc1ncco1 236409879 344784801 /nfs/dbraw/zinc/78/48/01/344784801.db2.gz PPIFZPQQEXHOEX-SSDOTTSWSA-N 0 0 183.232 1.888 10 0 ADAERN O=c1[nH]nc(-c2ccsc2)s1 236408376 344784828 /nfs/dbraw/zinc/78/48/28/344784828.db2.gz WAHYUAOOWCZLBW-UHFFFAOYSA-N 0 0 184.245 1.560 10 0 ADAERN O=C1CC[C@@H](Sc2ncco2)C1 236410478 344784897 /nfs/dbraw/zinc/78/48/97/344784897.db2.gz PFRQNGXIEBDIKL-SSDOTTSWSA-N 0 0 183.232 1.888 10 0 ADAERN O=Cc1occc1-c1cnccn1 236410648 344784900 /nfs/dbraw/zinc/78/49/00/344784900.db2.gz LIYXCGHXGZAKCX-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN O=c1[nH]nc(-c2ccoc2)s1 236408358 344784961 /nfs/dbraw/zinc/78/49/61/344784961.db2.gz IQOXUWBPYSMCQJ-UHFFFAOYSA-N 0 0 168.177 1.091 10 0 ADAERN O=C1CCC[C@@H]1Sc1ncco1 236407374 344784963 /nfs/dbraw/zinc/78/49/63/344784963.db2.gz PPIFZPQQEXHOEX-ZETCQYMHSA-N 0 0 183.232 1.888 10 0 ADAERN O=C1CCOC[C@@H]1Cc1ccoc1 236412984 344785164 /nfs/dbraw/zinc/78/51/64/344785164.db2.gz CMBPTUSRNDOXAD-VIFPVBQESA-N 0 0 180.203 1.428 10 0 ADAERN O=C1CCOC[C@H]1Cc1cncs1 236414322 344785167 /nfs/dbraw/zinc/78/51/67/344785167.db2.gz DKNDRSMBGGVGQL-SSDOTTSWSA-N 0 0 197.259 1.291 10 0 ADAERN O=C1CCOC[C@H]1[C@@H]1C=CCCC1 236414438 344785174 /nfs/dbraw/zinc/78/51/74/344785174.db2.gz RPVYWRFNRDZNEO-ZJUUUORDSA-N 0 0 180.247 1.948 10 0 ADAERN O=C1CCOC[C@@H]1C1CCOCC1 236412497 344785181 /nfs/dbraw/zinc/78/51/81/344785181.db2.gz ARYRTGBMEPBHFB-SECBINFHSA-N 0 0 184.235 1.019 10 0 ADAERN O=c1cc(-c2cccs2)cn[nH]1 236412268 344785189 /nfs/dbraw/zinc/78/51/89/344785189.db2.gz GCXICCITNRJUTE-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=C1CCOC[C@H]1Cc1ccoc1 236414317 344785193 /nfs/dbraw/zinc/78/51/93/344785193.db2.gz CMBPTUSRNDOXAD-SECBINFHSA-N 0 0 180.203 1.428 10 0 ADAERN O=C1CCOC[C@@H]1CC1CCC1 236412534 344785208 /nfs/dbraw/zinc/78/52/08/344785208.db2.gz JCJARXKUGLBYTM-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN O=C1CCOC[C@H]1[C@H]1C=CCCC1 236414389 344785216 /nfs/dbraw/zinc/78/52/16/344785216.db2.gz RPVYWRFNRDZNEO-UWVGGRQHSA-N 0 0 180.247 1.948 10 0 ADAERN O=C1CCOC[C@H]1C[C@@H]1CCCCO1 236414155 344785218 /nfs/dbraw/zinc/78/52/18/344785218.db2.gz ZAFCQVYNKMDIDW-ZJUUUORDSA-N 0 0 198.262 1.551 10 0 ADAERN O=C1CCOC[C@@H]1[C@H]1C=CCCC1 236413123 344785220 /nfs/dbraw/zinc/78/52/20/344785220.db2.gz RPVYWRFNRDZNEO-VHSXEESVSA-N 0 0 180.247 1.948 10 0 ADAERN O=C1CCOC[C@@H]1Cc1ccsc1 236412993 344785227 /nfs/dbraw/zinc/78/52/27/344785227.db2.gz GKXKOBDYOYHCAT-VIFPVBQESA-N 0 0 196.271 1.896 10 0 ADAERN O=C1CCOC[C@H]1C[C@@H]1CCOC1 236414169 344785232 /nfs/dbraw/zinc/78/52/32/344785232.db2.gz DKWADBSROHGWKE-DTWKUNHWSA-N 0 0 184.235 1.019 10 0 ADAERN O=c1cc(-c2ccoc2)cn[nH]1 236412282 344785240 /nfs/dbraw/zinc/78/52/40/344785240.db2.gz LBGKPTLRLKKYJH-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=c1cccc(-c2ccc[nH]2)[nH]1 236413564 344785244 /nfs/dbraw/zinc/78/52/44/344785244.db2.gz OEXWTBSLUTZTHL-UHFFFAOYSA-N 0 0 160.176 1.370 10 0 ADAERN O=C1CCOC[C@H]1C[C@H]1CCCO1 236414222 344785245 /nfs/dbraw/zinc/78/52/45/344785245.db2.gz UTGGGKKOPIHELV-RKDXNWHRSA-N 0 0 184.235 1.161 10 0 ADAERN O=C1CCOC[C@H]1C[C@@H]1CCCO1 236414162 344785250 /nfs/dbraw/zinc/78/52/50/344785250.db2.gz UTGGGKKOPIHELV-BDAKNGLRSA-N 0 0 184.235 1.161 10 0 ADAERN O=c1cc(-c2ccsc2)cn[nH]1 236412292 344785254 /nfs/dbraw/zinc/78/52/54/344785254.db2.gz MGQMOZHBMBZUFM-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=C1CCOC[C@H]1C[C@H]1CCOC1 236414232 344785255 /nfs/dbraw/zinc/78/52/55/344785255.db2.gz DKWADBSROHGWKE-RKDXNWHRSA-N 0 0 184.235 1.019 10 0 ADAERN O=C1CC[C@H](Sc2ncc[nH]2)C1 236413588 344785258 /nfs/dbraw/zinc/78/52/58/344785258.db2.gz LHRSLEIEHHQIQM-ZETCQYMHSA-N 0 0 182.248 1.623 10 0 ADAERN O=C1CCOC[C@@H]1C[C@H]1CCCO1 236412845 344785260 /nfs/dbraw/zinc/78/52/60/344785260.db2.gz UTGGGKKOPIHELV-DTWKUNHWSA-N 0 0 184.235 1.161 10 0 ADAERN O=C1CC[C@H](Sc2ncco2)C1 236413597 344785266 /nfs/dbraw/zinc/78/52/66/344785266.db2.gz PFRQNGXIEBDIKL-ZETCQYMHSA-N 0 0 183.232 1.888 10 0 ADAERN O=C1CCOC[C@@H]1Cc1cncs1 236413002 344785270 /nfs/dbraw/zinc/78/52/70/344785270.db2.gz DKNDRSMBGGVGQL-ZETCQYMHSA-N 0 0 197.259 1.291 10 0 ADAERN O=C1CCOC[C@H]1Cc1ccsc1 236414319 344785272 /nfs/dbraw/zinc/78/52/72/344785272.db2.gz GKXKOBDYOYHCAT-SECBINFHSA-N 0 0 196.271 1.896 10 0 ADAERN O=C1CCOC[C@@H]1CC1CC1 236412528 344785273 /nfs/dbraw/zinc/78/52/73/344785273.db2.gz ULBJJQVJKHFEDE-QMMMGPOBSA-N 0 0 154.209 1.392 10 0 ADAERN O=C1CCOC[C@@H]1C[C@H]1CCCCO1 236412838 344785275 /nfs/dbraw/zinc/78/52/75/344785275.db2.gz ZAFCQVYNKMDIDW-VHSXEESVSA-N 0 0 198.262 1.551 10 0 ADAERN O=C1CCOC[C@@H]1C[C@@H]1CCCO1 236412752 344785277 /nfs/dbraw/zinc/78/52/77/344785277.db2.gz UTGGGKKOPIHELV-IUCAKERBSA-N 0 0 184.235 1.161 10 0 ADAERN O=C1CCOC[C@@H]1C[C@@H]1CCCCO1 236412745 344785279 /nfs/dbraw/zinc/78/52/79/344785279.db2.gz ZAFCQVYNKMDIDW-UWVGGRQHSA-N 0 0 198.262 1.551 10 0 ADAERN O=C1CCOC[C@@H]1[C@@H]1C=CCCC1 236413201 344785287 /nfs/dbraw/zinc/78/52/87/344785287.db2.gz RPVYWRFNRDZNEO-NXEZZACHSA-N 0 0 180.247 1.948 10 0 ADAERN O=C1CCOC[C@H]1C1CCOCC1 236413912 344785292 /nfs/dbraw/zinc/78/52/92/344785292.db2.gz ARYRTGBMEPBHFB-VIFPVBQESA-N 0 0 184.235 1.019 10 0 ADAERN O=C1CCOC[C@H]1CC1CCC1 236413932 344785294 /nfs/dbraw/zinc/78/52/94/344785294.db2.gz JCJARXKUGLBYTM-SECBINFHSA-N 0 0 168.236 1.782 10 0 ADAERN O=C1CCOC[C@H]1CC1CC1 236413927 344785308 /nfs/dbraw/zinc/78/53/08/344785308.db2.gz ULBJJQVJKHFEDE-MRVPVSSYSA-N 0 0 154.209 1.392 10 0 ADAERN O=C1CCOC[C@@H]1C[C@@H]1CCOC1 236412765 344785324 /nfs/dbraw/zinc/78/53/24/344785324.db2.gz DKWADBSROHGWKE-IUCAKERBSA-N 0 0 184.235 1.019 10 0 ADAERN O=C1CCOC[C@H]1Cc1nccs1 236414332 344785327 /nfs/dbraw/zinc/78/53/27/344785327.db2.gz HALGKQHWIVPZSZ-SSDOTTSWSA-N 0 0 197.259 1.291 10 0 ADAERN O=C1CCOC[C@@H]1C[C@H]1CCOC1 236412854 344785339 /nfs/dbraw/zinc/78/53/39/344785339.db2.gz DKWADBSROHGWKE-BDAKNGLRSA-N 0 0 184.235 1.019 10 0 ADAERN O=C1CCOC[C@@H]1Cc1nccs1 236413026 344785376 /nfs/dbraw/zinc/78/53/76/344785376.db2.gz HALGKQHWIVPZSZ-ZETCQYMHSA-N 0 0 197.259 1.291 10 0 ADAERN O=Cc1cncc(-c2ccc[nH]2)c1 236420363 344785568 /nfs/dbraw/zinc/78/55/68/344785568.db2.gz XWPTZOGGQFYVIO-UHFFFAOYSA-N 0 0 172.187 1.889 10 0 ADAERN O=c1[nH]ccnc1-c1cccs1 236417178 344785782 /nfs/dbraw/zinc/78/57/82/344785782.db2.gz FGMNPRFKJMUNSC-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1[nH]ccnc1-c1ccoc1 236417187 344785615 /nfs/dbraw/zinc/78/56/15/344785615.db2.gz VOQAQGWPTGJLIM-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=CNc1ccc(C2OCCO2)cc1 236418731 344785645 /nfs/dbraw/zinc/78/56/45/344785645.db2.gz YZIITWBFGTWATO-UHFFFAOYSA-N 0 0 193.202 1.300 10 0 ADAERN O=Cc1cn([C@@H]2C=CCCC2)cn1 236419814 344785659 /nfs/dbraw/zinc/78/56/59/344785659.db2.gz QFNIHBXRHJSIJU-SNVBAGLBSA-N 0 0 176.219 1.977 10 0 ADAERN O=c1[nH]ccnc1-c1ccsc1 236417197 344785667 /nfs/dbraw/zinc/78/56/67/344785667.db2.gz GUHJDKGCTZPPSN-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=Cc1cccc(N2CC=CC2)c1 236416356 344785680 /nfs/dbraw/zinc/78/56/80/344785680.db2.gz IUYXIYMXVZTAJF-UHFFFAOYSA-N 0 0 173.215 1.875 10 0 ADAERN O=c1nc(-c2ccoc2)cc[nH]1 236416668 344785688 /nfs/dbraw/zinc/78/56/88/344785688.db2.gz AILHVXBPGKMLBB-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=Cc1cn([C@H]2C=CCCC2)cn1 236419764 344785711 /nfs/dbraw/zinc/78/57/11/344785711.db2.gz QFNIHBXRHJSIJU-JTQLQIEISA-N 0 0 176.219 1.977 10 0 ADAERN O=c1[nH]ccnc1OC1CCCC1 236416791 344785713 /nfs/dbraw/zinc/78/57/13/344785713.db2.gz MDAFWMUPOKFHFJ-UHFFFAOYSA-N 0 0 180.207 1.091 10 0 ADAERN O=C([O-])[C@]1(C/C=C/Cl)CC[NH2+]C1 236437354 344785769 /nfs/dbraw/zinc/78/57/69/344785769.db2.gz PUORETSOXMHTAI-YKXFLQSUSA-N 0 0 189.642 1.193 10 0 ADAERN O=c1[nH]ccnc1-c1ccco1 236417169 344785780 /nfs/dbraw/zinc/78/57/80/344785780.db2.gz WFQXQOIWOVJGIK-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=c1[nH]ccnc1Oc1ccccc1 236417016 344785792 /nfs/dbraw/zinc/78/57/92/344785792.db2.gz LBFAEGDBSKZDCI-UHFFFAOYSA-N 0 0 188.186 1.562 10 0 ADAERN O=Cc1cn(CC2CCOCC2)cn1 236419026 344785809 /nfs/dbraw/zinc/78/58/09/344785809.db2.gz OZHOSWUQQUZIFA-UHFFFAOYSA-N 0 0 194.234 1.122 10 0 ADAERN O=Cc1cn(Cc2ccsc2)cn1 236419681 344785815 /nfs/dbraw/zinc/78/58/15/344785815.db2.gz FJYZYXXMUBDCIG-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN O=C(C1CC1)C1(O)CCCC1 236472664 344786030 /nfs/dbraw/zinc/78/60/30/344786030.db2.gz BSNANAQYNKSQEK-UHFFFAOYSA-N 0 0 154.209 1.271 10 0 ADAERN O=C(C1CC1)C1(O)CCCCC1 236472678 344786223 /nfs/dbraw/zinc/78/62/23/344786223.db2.gz HAPQODOTSVROHQ-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN O=C(Cc1ccoc1)C1(O)CCCC1 236474923 344786423 /nfs/dbraw/zinc/78/64/23/344786423.db2.gz KVQCZYQCNSZCAQ-UHFFFAOYSA-N 0 0 194.230 1.696 10 0 ADAERN OCC1(Nc2ccccc2F)CC1 236490122 344786479 /nfs/dbraw/zinc/78/64/79/344786479.db2.gz LIZQWLKDFJCYBZ-UHFFFAOYSA-N 0 0 181.210 1.763 10 0 ADAERN O=C(C1CCC1)C1(O)CCCC1 236472701 344786542 /nfs/dbraw/zinc/78/65/42/344786542.db2.gz QVCUNRJIWOZWMJ-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN OC1(C2Cc3ccccc3C2)CC1 236485745 344786556 /nfs/dbraw/zinc/78/65/56/344786556.db2.gz DYVSUEPVTWCUKG-UHFFFAOYSA-N 0 0 174.243 1.926 10 0 ADAERN O=C(CC1CC1)C1(O)CCCC1 236472843 344786599 /nfs/dbraw/zinc/78/65/99/344786599.db2.gz ASCAYDDRJQDRGF-UHFFFAOYSA-N 0 0 168.236 1.661 10 0 ADAERN O=C(c1ccoc1)C1(O)CCCC1 236477261 344786615 /nfs/dbraw/zinc/78/66/15/344786615.db2.gz VMGJLMPJSXXQRE-UHFFFAOYSA-N 0 0 180.203 1.767 10 0 ADAERN OCC1(Nc2ccccc2)CC1 236490007 344786649 /nfs/dbraw/zinc/78/66/49/344786649.db2.gz IGOXFOIPAQJIHZ-UHFFFAOYSA-N 0 0 163.220 1.623 10 0 ADAERN O=C(c1ccco1)C1(O)CCCC1 236477177 344786655 /nfs/dbraw/zinc/78/66/55/344786655.db2.gz VVXNZTAQUVFFMD-UHFFFAOYSA-N 0 0 180.203 1.767 10 0 ADAERN O=C(CCCO)C1CCC1 236481253 344786661 /nfs/dbraw/zinc/78/66/61/344786661.db2.gz OADGMWWNZUKMPR-UHFFFAOYSA-N 0 0 142.198 1.128 10 0 ADAERN O=C(Cc1ccco1)C1(O)CCCC1 236474794 344786712 /nfs/dbraw/zinc/78/67/12/344786712.db2.gz FBXXZDGHNKXFHV-UHFFFAOYSA-N 0 0 194.230 1.696 10 0 ADAERN OCC1(Nc2cccc(F)c2)CC1 236489950 344786714 /nfs/dbraw/zinc/78/67/14/344786714.db2.gz AFLYZRGGQMSRQB-UHFFFAOYSA-N 0 0 181.210 1.763 10 0 ADAERN OCC1(Nc2ccc(F)cc2)CC1 236489493 344786756 /nfs/dbraw/zinc/78/67/56/344786756.db2.gz NTXMFIOFGWUILQ-UHFFFAOYSA-N 0 0 181.210 1.763 10 0 ADAERN OCCc1cc(C(F)(F)F)no1 236503101 344786869 /nfs/dbraw/zinc/78/68/69/344786869.db2.gz YAIXMLMBFYRNIE-UHFFFAOYSA-N 0 0 181.113 1.228 10 0 ADAERN OCc1cccc(NC2CC2)c1 236499621 344786891 /nfs/dbraw/zinc/78/68/91/344786891.db2.gz CNSFCYZSLSTJEI-UHFFFAOYSA-N 0 0 163.220 1.753 10 0 ADAERN OCc1cccc(F)c1N1CCCC1 236503256 344787094 /nfs/dbraw/zinc/78/70/94/344787094.db2.gz OGGGIHNCCGZDRX-UHFFFAOYSA-N 0 0 195.237 1.918 10 0 ADAERN OCc1cc(F)cc(-n2cccn2)c1 236508440 344787202 /nfs/dbraw/zinc/78/72/02/344787202.db2.gz UZTYSNWZRKFNOA-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN O[C@@H](CNc1ccccn1)C(F)F 236521648 344787456 /nfs/dbraw/zinc/78/74/56/344787456.db2.gz ZZSFUUDWBVKMQY-LURJTMIESA-N 0 0 188.177 1.120 10 0 ADAERN O=C(c1ccsc1)[C@@H](O)C1CC1 236521760 344787412 /nfs/dbraw/zinc/78/74/12/344787412.db2.gz HCIPYPIBJCQTHY-QMMMGPOBSA-N 0 0 182.244 1.702 10 0 ADAERN O=C(C1CCC1)[C@H](O)C1CC1 236524837 344787431 /nfs/dbraw/zinc/78/74/31/344787431.db2.gz XWRCQLZTJHURFR-SECBINFHSA-N 0 0 154.209 1.127 10 0 ADAERN O[C@@H](C1CC1)C1(O)CCCCCC1 236522129 344787438 /nfs/dbraw/zinc/78/74/38/344787438.db2.gz RCUSWTLCWWOYNO-JTQLQIEISA-N 0 0 184.279 1.843 10 0 ADAERN O=C(C1CCC1)[C@@H](O)C1CC1 236519543 344787462 /nfs/dbraw/zinc/78/74/62/344787462.db2.gz XWRCQLZTJHURFR-VIFPVBQESA-N 0 0 154.209 1.127 10 0 ADAERN O[C@@H](c1ccccc1)[C@@H](O)C1CCC1 236525845 344787463 /nfs/dbraw/zinc/78/74/63/344787463.db2.gz HWXBANNCZLKAEJ-RYUDHWBXSA-N 0 0 192.258 1.881 10 0 ADAERN O[C@@H](C1CC1)C1(O)CCCCC1 236522125 344787479 /nfs/dbraw/zinc/78/74/79/344787479.db2.gz GATSTLNRPGVITK-VIFPVBQESA-N 0 0 170.252 1.453 10 0 ADAERN O[C@@H](Cc1ccco1)C1(O)CCCC1 236518078 344787483 /nfs/dbraw/zinc/78/74/83/344787483.db2.gz RHRWYJGGSQIVHZ-JTQLQIEISA-N 0 0 196.246 1.488 10 0 ADAERN OCc1ccoc1Cl 236516112 344787495 /nfs/dbraw/zinc/78/74/95/344787495.db2.gz FJPQDMSIXQVDDY-UHFFFAOYSA-N 0 0 132.546 1.425 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)c1ccoc1 236523586 344787516 /nfs/dbraw/zinc/78/75/16/344787516.db2.gz RGUMUYVQKGJCLE-DTWKUNHWSA-N 0 0 168.192 1.084 10 0 ADAERN O[C@@H](c1cccc(F)c1)[C@@H](O)C1CC1 236522605 344787524 /nfs/dbraw/zinc/78/75/24/344787524.db2.gz QCIRNELJFOMSER-QWRGUYRKSA-N 0 0 196.221 1.630 10 0 ADAERN O[C@@H]1CCC[C@H]1Sc1ncc[nH]1 236522866 344787544 /nfs/dbraw/zinc/78/75/44/344787544.db2.gz YVECMLLNWPODDA-RNFRBKRXSA-N 0 0 184.264 1.415 10 0 ADAERN OCc1nc(-c2cncc(F)c2)c[nH]1 236514837 344787550 /nfs/dbraw/zinc/78/75/50/344787550.db2.gz SAUBSUGSNQBAGG-UHFFFAOYSA-N 0 0 193.181 1.103 10 0 ADAERN O=C(c1ccncc1F)[C@@H](O)C1CC1 236521744 344787572 /nfs/dbraw/zinc/78/75/72/344787572.db2.gz WILOVVHMOHLOHA-VIFPVBQESA-N 0 0 195.193 1.174 10 0 ADAERN O[C@@H](CC1CC1)C1(O)CCCCC1 236512921 344787600 /nfs/dbraw/zinc/78/76/00/344787600.db2.gz RYHGRCOKVMEJKH-JTQLQIEISA-N 0 0 184.279 1.843 10 0 ADAERN OCc1cc(F)cnc1NC1CC1 236520444 344787604 /nfs/dbraw/zinc/78/76/04/344787604.db2.gz KGNKSZFEZJTWIA-UHFFFAOYSA-N 0 0 182.198 1.287 10 0 ADAERN O[C@@H](C1CCC1)[C@H](O)c1ccccc1 236525972 344787606 /nfs/dbraw/zinc/78/76/06/344787606.db2.gz HWXBANNCZLKAEJ-NEPJUHHUSA-N 0 0 192.258 1.881 10 0 ADAERN OCc1cc(-c2cncc(F)c2)on1 236515842 344787614 /nfs/dbraw/zinc/78/76/14/344787614.db2.gz OPIZFSQVAUMZLT-UHFFFAOYSA-N 0 0 194.165 1.368 10 0 ADAERN O[C@@H](c1ccoc1)[C@@H](O)C1CC1 236522789 344787630 /nfs/dbraw/zinc/78/76/30/344787630.db2.gz RGUMUYVQKGJCLE-IUCAKERBSA-N 0 0 168.192 1.084 10 0 ADAERN O[C@@H]1CCOC[C@@H]1C1CCCCC1 236528257 344787854 /nfs/dbraw/zinc/78/78/54/344787854.db2.gz HYTKNZTXUJJGFY-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN ONCc1ccc(F)cc1Cl 236533172 344787890 /nfs/dbraw/zinc/78/78/90/344787890.db2.gz PSXSZYBJDMILCH-UHFFFAOYSA-N 0 0 175.590 1.958 10 0 ADAERN O[C@@H]1CCOC[C@H]1C1CCCCC1 236532729 344787893 /nfs/dbraw/zinc/78/78/93/344787893.db2.gz HYTKNZTXUJJGFY-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN O[C@H](c1cccc(F)c1)[C@H](O)C1CC1 236527792 344787910 /nfs/dbraw/zinc/78/79/10/344787910.db2.gz QCIRNELJFOMSER-GHMZBOCLSA-N 0 0 196.221 1.630 10 0 ADAERN O[C@@H](c1ccccc1)[C@H](O)C1CCC1 236530220 344787923 /nfs/dbraw/zinc/78/79/23/344787923.db2.gz HWXBANNCZLKAEJ-NWDGAFQWSA-N 0 0 192.258 1.881 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1ccccc1 236530069 344787944 /nfs/dbraw/zinc/78/79/44/344787944.db2.gz ZFABLKVOVAVIFU-NWDGAFQWSA-N 0 0 192.258 1.627 10 0 ADAERN O[C@@H](C1CCCCC1)[C@@H](O)C1CC1 236530568 344787948 /nfs/dbraw/zinc/78/79/48/344787948.db2.gz OXTFYYHHGMJDHO-QWRGUYRKSA-N 0 0 184.279 1.699 10 0 ADAERN O[C@H](c1ccoc1)[C@H](O)C1CC1 236527956 344787953 /nfs/dbraw/zinc/78/79/53/344787953.db2.gz RGUMUYVQKGJCLE-RKDXNWHRSA-N 0 0 168.192 1.084 10 0 ADAERN O[C@H](C1CC1)C1(O)CCCCC1 236526589 344787964 /nfs/dbraw/zinc/78/79/64/344787964.db2.gz GATSTLNRPGVITK-SECBINFHSA-N 0 0 170.252 1.453 10 0 ADAERN O[C@H](C1CCCC1)C1(O)CCCC1 236531054 344787988 /nfs/dbraw/zinc/78/79/88/344787988.db2.gz NVXNMVGUHYJRLA-SNVBAGLBSA-N 0 0 184.279 1.843 10 0 ADAERN O[C@H](c1ccccc1)[C@H](O)C1CCC1 236530337 344787992 /nfs/dbraw/zinc/78/79/92/344787992.db2.gz HWXBANNCZLKAEJ-VXGBXAGGSA-N 0 0 192.258 1.881 10 0 ADAERN O[C@@H](C1CC1)[C@H](O)C1CCCCC1 236534327 344788001 /nfs/dbraw/zinc/78/80/01/344788001.db2.gz OXTFYYHHGMJDHO-MNOVXSKESA-N 0 0 184.279 1.699 10 0 ADAERN O=C(c1ccsc1)[C@H](O)C1CC1 236526278 344788005 /nfs/dbraw/zinc/78/80/05/344788005.db2.gz HCIPYPIBJCQTHY-MRVPVSSYSA-N 0 0 182.244 1.702 10 0 ADAERN ONC1CCN(c2ccccc2)CC1 236532497 344788016 /nfs/dbraw/zinc/78/80/16/344788016.db2.gz TYNRRIFAPNRKOV-UHFFFAOYSA-N 0 0 192.262 1.634 10 0 ADAERN O[C@@H](C1CCCCC1)[C@H](O)C1CC1 236531807 344788018 /nfs/dbraw/zinc/78/80/18/344788018.db2.gz OXTFYYHHGMJDHO-WDEREUQCSA-N 0 0 184.279 1.699 10 0 ADAERN O=C(c1ccncc1F)[C@H](O)C1CC1 236526257 344788021 /nfs/dbraw/zinc/78/80/21/344788021.db2.gz WILOVVHMOHLOHA-SECBINFHSA-N 0 0 195.193 1.174 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Cc1cccnc1 236530129 344788023 /nfs/dbraw/zinc/78/80/23/344788023.db2.gz YBIBROQHRZIKMP-WDEREUQCSA-N 0 0 193.246 1.022 10 0 ADAERN O[C@@H](C1CCCC1)C1(O)CCCC1 236526831 344788028 /nfs/dbraw/zinc/78/80/28/344788028.db2.gz NVXNMVGUHYJRLA-JTQLQIEISA-N 0 0 184.279 1.843 10 0 ADAERN O[C@H](C1CC1)C1(O)CCCCCC1 236526597 344788033 /nfs/dbraw/zinc/78/80/33/344788033.db2.gz RCUSWTLCWWOYNO-SNVBAGLBSA-N 0 0 184.279 1.843 10 0 ADAERN O[C@@H](c1ccoc1)[C@H](O)C1CC1 236527107 344788047 /nfs/dbraw/zinc/78/80/47/344788047.db2.gz RGUMUYVQKGJCLE-BDAKNGLRSA-N 0 0 168.192 1.084 10 0 ADAERN O[C@@H](c1cccc(F)c1)[C@H](O)C1CC1 236526955 344788049 /nfs/dbraw/zinc/78/80/49/344788049.db2.gz QCIRNELJFOMSER-MNOVXSKESA-N 0 0 196.221 1.630 10 0 ADAERN ONCc1cc(F)c(F)cc1F 236532967 344788050 /nfs/dbraw/zinc/78/80/50/344788050.db2.gz FEUGMYQIRFFGGL-UHFFFAOYSA-N 0 0 177.125 1.583 10 0 ADAERN O[C@@H]1CCC[C@@H]1Sc1ncc[nH]1 236535542 344788261 /nfs/dbraw/zinc/78/82/61/344788261.db2.gz YVECMLLNWPODDA-RQJHMYQMSA-N 0 0 184.264 1.415 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1ccccc1 236534902 344788483 /nfs/dbraw/zinc/78/84/83/344788483.db2.gz ZFABLKVOVAVIFU-VXGBXAGGSA-N 0 0 192.258 1.627 10 0 ADAERN O[C@@H]1CC[C@@H](CNc2ncns2)C1 236537974 344788497 /nfs/dbraw/zinc/78/84/97/344788497.db2.gz WEZHAPOLFXNAPR-RNFRBKRXSA-N 0 0 199.279 1.111 10 0 ADAERN O[C@@H]1CCOC[C@H]1Cc1cccnc1 236534958 344788531 /nfs/dbraw/zinc/78/85/31/344788531.db2.gz YBIBROQHRZIKMP-GHMZBOCLSA-N 0 0 193.246 1.022 10 0 ADAERN O[C@H](C1CCCCC1)[C@H](O)C1CC1 236535451 344788560 /nfs/dbraw/zinc/78/85/60/344788560.db2.gz OXTFYYHHGMJDHO-GHMZBOCLSA-N 0 0 184.279 1.699 10 0 ADAERN O[C@@H]1CC[C@H](CNc2ncns2)C1 236551985 344788636 /nfs/dbraw/zinc/78/86/36/344788636.db2.gz WEZHAPOLFXNAPR-NKWVEPMBSA-N 0 0 199.279 1.111 10 0 ADAERN O[C@H](Cc1ccco1)C1(O)CCCC1 236547534 344788646 /nfs/dbraw/zinc/78/86/46/344788646.db2.gz RHRWYJGGSQIVHZ-SNVBAGLBSA-N 0 0 196.246 1.488 10 0 ADAERN O[C@H](CNc1ccccn1)C(F)F 236555763 344788768 /nfs/dbraw/zinc/78/87/68/344788768.db2.gz ZZSFUUDWBVKMQY-ZCFIWIBFSA-N 0 0 188.177 1.120 10 0 ADAERN O[C@H]1CCC[C@H]1Sc1ncc[nH]1 236546131 344788826 /nfs/dbraw/zinc/78/88/26/344788826.db2.gz YVECMLLNWPODDA-NKWVEPMBSA-N 0 0 184.264 1.415 10 0 ADAERN O[C@H]1CCOC[C@@H]1C1CCCCC1 236555587 344788859 /nfs/dbraw/zinc/78/88/59/344788859.db2.gz HYTKNZTXUJJGFY-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN O[C@H](CC1CC1)C1(O)CCCCC1 236556130 344788932 /nfs/dbraw/zinc/78/89/32/344788932.db2.gz RYHGRCOKVMEJKH-SNVBAGLBSA-N 0 0 184.279 1.843 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1ccccc1 236558115 344789197 /nfs/dbraw/zinc/78/91/97/344789197.db2.gz ZFABLKVOVAVIFU-RYUDHWBXSA-N 0 0 192.258 1.627 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1cccnc1 236564354 344789199 /nfs/dbraw/zinc/78/91/99/344789199.db2.gz YBIBROQHRZIKMP-MNOVXSKESA-N 0 0 193.246 1.022 10 0 ADAERN O[C@H]1CC[C@@H](CNc2ncns2)C1 236568233 344789205 /nfs/dbraw/zinc/78/92/05/344789205.db2.gz WEZHAPOLFXNAPR-RQJHMYQMSA-N 0 0 199.279 1.111 10 0 ADAERN S=c1[nH]c(C2CC2)co1 236565603 344789254 /nfs/dbraw/zinc/78/92/54/344789254.db2.gz NQBYEOXLLYJJFG-UHFFFAOYSA-N 0 0 141.195 1.841 10 0 ADAERN O[C@H]1CCC[C@@H]1Sc1ncc[nH]1 236559103 344789266 /nfs/dbraw/zinc/78/92/66/344789266.db2.gz YVECMLLNWPODDA-BQBZGAKWSA-N 0 0 184.264 1.415 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1cccnc1 236558179 344789373 /nfs/dbraw/zinc/78/93/73/344789373.db2.gz YBIBROQHRZIKMP-QWRGUYRKSA-N 0 0 193.246 1.022 10 0 ADAERN O[C@H]1CCC[C@@H]1Sc1ncco1 236559140 344789381 /nfs/dbraw/zinc/78/93/81/344789381.db2.gz SHJQZOZHGXHVFS-BQBZGAKWSA-N 0 0 185.248 1.680 10 0 ADAERN O[C@H]1CCOC[C@H]1Cc1ccccc1 236564278 344789395 /nfs/dbraw/zinc/78/93/95/344789395.db2.gz ZFABLKVOVAVIFU-NEPJUHHUSA-N 0 0 192.258 1.627 10 0 ADAERN O[C@H]1CCOC[C@H]1C1CCCCC1 236560786 344789409 /nfs/dbraw/zinc/78/94/09/344789409.db2.gz HYTKNZTXUJJGFY-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN Oc1c[nH]c(-c2cccc(F)c2)n1 236576052 344789645 /nfs/dbraw/zinc/78/96/45/344789645.db2.gz XIKXVZPZGNZJDJ-UHFFFAOYSA-N 0 0 178.166 1.921 10 0 ADAERN S=C1N=C(c2ccc[nH]2)CO1 236574782 344789649 /nfs/dbraw/zinc/78/96/49/344789649.db2.gz VNYMBYXIGADOMW-UHFFFAOYSA-N 0 0 166.205 1.958 10 0 ADAERN O[C@H]1CC[C@H](CNc2ncns2)C1 236581941 344789670 /nfs/dbraw/zinc/78/96/70/344789670.db2.gz WEZHAPOLFXNAPR-BQBZGAKWSA-N 0 0 199.279 1.111 10 0 ADAERN S=C1N=C2CCCC2O1 236580269 344789680 /nfs/dbraw/zinc/78/96/80/344789680.db2.gz LJZFNWXUZFLTHW-UHFFFAOYSA-N 0 0 141.195 1.452 10 0 ADAERN S=c1[nH]c(-c2cnccn2)co1 236577598 344789684 /nfs/dbraw/zinc/78/96/84/344789684.db2.gz DDXKZRRVSOPYTF-UHFFFAOYSA-N 0 0 179.204 1.420 10 0 ADAERN CC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250531645 344835823 /nfs/dbraw/zinc/83/58/23/344835823.db2.gz UBJIZERPMNEEPC-RNLVFQAGSA-N 0 0 124.183 1.622 10 0 ADAERN O=c1cc[nH]c(-c2ccc[nH]2)c1 236583060 344789821 /nfs/dbraw/zinc/78/98/21/344789821.db2.gz OPDAZXZUMDGMFZ-UHFFFAOYSA-N 0 0 160.176 1.782 10 0 ADAERN Oc1c[nH]c(-c2ccncc2)n1 236576164 344789829 /nfs/dbraw/zinc/78/98/29/344789829.db2.gz GPHMWIGSEXIEEX-UHFFFAOYSA-N 0 0 161.164 1.177 10 0 ADAERN O[C@H]1CC[C@H](CNc2cc[nH+]cc2)C1 236581040 344789865 /nfs/dbraw/zinc/78/98/65/344789865.db2.gz JEUKGGZFJGUNEA-ONGXEEELSA-N 0 0 192.262 1.655 10 0 ADAERN Oc1c[nH]c([C@@H]2CCCOC2)n1 236575318 344789869 /nfs/dbraw/zinc/78/98/69/344789869.db2.gz RKTURMZRNXGGIT-ZCFIWIBFSA-N 0 0 168.196 1.009 10 0 ADAERN O=c1cc[nH]c(-c2cncc(F)c2)c1 236583313 344790007 /nfs/dbraw/zinc/79/00/07/344790007.db2.gz ZPNKXZQCAKNPLA-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN Oc1c[nH]c([C@H]2CCCOC2)n1 236575451 344790011 /nfs/dbraw/zinc/79/00/11/344790011.db2.gz RKTURMZRNXGGIT-LURJTMIESA-N 0 0 168.196 1.009 10 0 ADAERN S=c1nc(-c2cncnc2)cc[nH]1 236604933 344790221 /nfs/dbraw/zinc/79/02/21/344790221.db2.gz GPDITOACOXPASV-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN O=c1cc2c(F)c(O)ccc2c[nH]1 236623292 344790243 /nfs/dbraw/zinc/79/02/43/344790243.db2.gz MZOLWRAZKVHPFP-UHFFFAOYSA-N 0 0 179.150 1.785 10 0 ADAERN O=c1cc2ccc(O)cc2c[nH]1 236607934 344790254 /nfs/dbraw/zinc/79/02/54/344790254.db2.gz WSOWPIKEUTVRFU-UHFFFAOYSA-N 0 0 161.160 1.646 10 0 ADAERN S=c1[nH]ccnc1-c1ccc[nH]1 236639931 344790301 /nfs/dbraw/zinc/79/03/01/344790301.db2.gz KKWRHIHRPGWVNR-UHFFFAOYSA-N 0 0 177.232 1.760 10 0 ADAERN S=c1[nH]ccnc1C1CC1 236639402 344790413 /nfs/dbraw/zinc/79/04/13/344790413.db2.gz IIJKWBZSVCPWQW-UHFFFAOYSA-N 0 0 152.222 1.643 10 0 ADAERN N#CNC(=O)c1cc(O)ccc1Cl 236631440 344790363 /nfs/dbraw/zinc/79/03/63/344790363.db2.gz BTYOYOPJNFTTKE-UHFFFAOYSA-N 0 0 196.593 1.256 10 0 ADAERN Oc1ccc(-c2ccc[nH]2)nc1 236602306 344790399 /nfs/dbraw/zinc/79/03/99/344790399.db2.gz VPPSABZBXSVHJG-UHFFFAOYSA-N 0 0 160.176 1.782 10 0 ADAERN S=c1[nH]ccnc1-c1ccccn1 236640481 344790439 /nfs/dbraw/zinc/79/04/39/344790439.db2.gz DQFMVCVIESEWJN-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN Oc1ccc2nc[nH]c(=S)c2c1 236610553 344790486 /nfs/dbraw/zinc/79/04/86/344790486.db2.gz TZCQUKGPSXFRRR-UHFFFAOYSA-N 0 0 178.216 1.624 10 0 ADAERN O=c1cc2c(O)cccc2c[nH]1 236623504 344790512 /nfs/dbraw/zinc/79/05/12/344790512.db2.gz YBEXDCQZKDVVPH-UHFFFAOYSA-N 0 0 161.160 1.646 10 0 ADAERN S=c1[nH]ccn1Cc1cccnn1 236638704 344790611 /nfs/dbraw/zinc/79/06/11/344790611.db2.gz QSAQMEHHCSOWLY-UHFFFAOYSA-N 0 0 192.247 1.010 10 0 ADAERN S=c1ccnc(CC2CC2)[nH]1 236707858 344790962 /nfs/dbraw/zinc/79/09/62/344790962.db2.gz PVECBOHPQCBWQG-UHFFFAOYSA-N 0 0 166.249 1.718 10 0 ADAERN S=c1ccnc([C@@H]2CCCO2)[nH]1 236709354 344790894 /nfs/dbraw/zinc/79/08/94/344790894.db2.gz MKXZIFVBJGXYIB-LURJTMIESA-N 0 0 182.248 1.617 10 0 ADAERN S=c1ccnc(-c2cscn2)[nH]1 236711105 344790906 /nfs/dbraw/zinc/79/09/06/344790906.db2.gz HUHZNJLRDUYXGB-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN S=c1ccnc(-c2ccncn2)[nH]1 236710839 344790908 /nfs/dbraw/zinc/79/09/08/344790908.db2.gz HKHJRDPAMSXCLG-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1[nH]cncc1-c1cncnc1 236644249 344790911 /nfs/dbraw/zinc/79/09/11/344790911.db2.gz OXNYHOKSJDTPSA-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1[nH]cncc1-c1ccccn1 236643834 344790920 /nfs/dbraw/zinc/79/09/20/344790920.db2.gz IFQXLVLVRUMSPH-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1cc(-c2ccc[nH]2)cn[nH]1 236651476 344790927 /nfs/dbraw/zinc/79/09/27/344790927.db2.gz VGKRAWTXKKDLSU-UHFFFAOYSA-N 0 0 177.232 1.760 10 0 ADAERN S=c1cc(-c2cccnc2)cn[nH]1 236652199 344790929 /nfs/dbraw/zinc/79/09/29/344790929.db2.gz LOXCJNFUACECRE-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1ccc(C2CC2)n[nH]1 236673444 344790931 /nfs/dbraw/zinc/79/09/31/344790931.db2.gz BFSVFARFOCOQQC-UHFFFAOYSA-N 0 0 152.222 1.643 10 0 ADAERN S=c1ccnc(N2CCCCC2)[nH]1 236709185 344790934 /nfs/dbraw/zinc/79/09/34/344790934.db2.gz XZTOAQIIWRYXJQ-UHFFFAOYSA-N 0 0 195.291 1.756 10 0 ADAERN S=c1ccnc(-c2cccnc2)[nH]1 236710669 344790936 /nfs/dbraw/zinc/79/09/36/344790936.db2.gz HLTDIPWGNFREGV-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1ccnc(-c2ncccn2)[nH]1 236711375 344790940 /nfs/dbraw/zinc/79/09/40/344790940.db2.gz JVRRBMFCDHAPCF-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1[nH]cncc1-c1ccncc1 236644013 344790946 /nfs/dbraw/zinc/79/09/46/344790946.db2.gz HKBOOXDQPGOBIY-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1ccnc([C@@H]2CCCOC2)[nH]1 236709397 344790950 /nfs/dbraw/zinc/79/09/50/344790950.db2.gz ACUWHTQOHCANJZ-SSDOTTSWSA-N 0 0 196.275 1.659 10 0 ADAERN S=c1ccnc(C[C@H]2CCCO2)[nH]1 236708520 344790953 /nfs/dbraw/zinc/79/09/53/344790953.db2.gz JFRKGWLZAVOEOI-SSDOTTSWSA-N 0 0 196.275 1.487 10 0 ADAERN S=c1cc(C2CC2)cn[nH]1 236650310 344790971 /nfs/dbraw/zinc/79/09/71/344790971.db2.gz WLYHHUZUHPIJRE-UHFFFAOYSA-N 0 0 152.222 1.643 10 0 ADAERN S=c1cc(-c2cncnc2)cn[nH]1 236652724 344790976 /nfs/dbraw/zinc/79/09/76/344790976.db2.gz RJHSNUFLCJTEJM-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1cncc(-c2ccc[nH]2)[nH]1 236711906 344790980 /nfs/dbraw/zinc/79/09/80/344790980.db2.gz ASSHHAJWYQEFPI-UHFFFAOYSA-N 0 0 177.232 1.760 10 0 ADAERN S=c1ccnc(C[C@@H]2CCCO2)[nH]1 236708423 344790988 /nfs/dbraw/zinc/79/09/88/344790988.db2.gz JFRKGWLZAVOEOI-ZETCQYMHSA-N 0 0 196.275 1.487 10 0 ADAERN S=c1ccnc([C@H]2CCCOC2)[nH]1 236709699 344790991 /nfs/dbraw/zinc/79/09/91/344790991.db2.gz ACUWHTQOHCANJZ-ZETCQYMHSA-N 0 0 196.275 1.659 10 0 ADAERN S=c1ccnc(N2CCCC2)[nH]1 236709149 344790994 /nfs/dbraw/zinc/79/09/94/344790994.db2.gz FQJOLBLMRNEXKP-UHFFFAOYSA-N 0 0 181.264 1.366 10 0 ADAERN S=c1ccnc(-c2cncs2)[nH]1 236711056 344790996 /nfs/dbraw/zinc/79/09/96/344790996.db2.gz QULQAXKNINJHDY-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN S=c1ccnc(C[C@H]2CCOC2)[nH]1 236708545 344791002 /nfs/dbraw/zinc/79/10/02/344791002.db2.gz RZWOSFVKCUTBPT-SSDOTTSWSA-N 0 0 196.275 1.344 10 0 ADAERN S=c1ccnc(C2CCOCC2)[nH]1 236707816 344791004 /nfs/dbraw/zinc/79/10/04/344791004.db2.gz KYMWZHSNIYPNBZ-UHFFFAOYSA-N 0 0 196.275 1.659 10 0 ADAERN S=c1[nH]cnc2c1CSC2 236642302 344791005 /nfs/dbraw/zinc/79/10/05/344791005.db2.gz XNKKNAKZDUQXGB-UHFFFAOYSA-N 0 0 170.262 1.512 10 0 ADAERN S=c1cc(-c2cncnc2)nc[nH]1 236652768 344791007 /nfs/dbraw/zinc/79/10/07/344791007.db2.gz PNZDGLAVGFGCIF-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1[nH]ccnc1-c1ccncc1 236640653 344791009 /nfs/dbraw/zinc/79/10/09/344791009.db2.gz CRUVRORTEBYUCT-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1ccnc([C@@H]2CCOC2)[nH]1 236709483 344791011 /nfs/dbraw/zinc/79/10/11/344791011.db2.gz VAHWYRVQJDREKG-ZCFIWIBFSA-N 0 0 182.248 1.269 10 0 ADAERN S=c1ccc(-c2cncnc2)n[nH]1 236695897 344791019 /nfs/dbraw/zinc/79/10/19/344791019.db2.gz USTLXCDDAPSMOX-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1ccnc(C[C@@H]2CCOC2)[nH]1 236708465 344791028 /nfs/dbraw/zinc/79/10/28/344791028.db2.gz RZWOSFVKCUTBPT-ZETCQYMHSA-N 0 0 196.275 1.344 10 0 ADAERN S=c1cncc(-c2ccncc2)[nH]1 236712338 344791036 /nfs/dbraw/zinc/79/10/36/344791036.db2.gz NWVCDDBSEVOREC-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1[nH]cncc1-c1ccc[nH]1 236643229 344791038 /nfs/dbraw/zinc/79/10/38/344791038.db2.gz GKESUGCPKMZAIW-UHFFFAOYSA-N 0 0 177.232 1.760 10 0 ADAERN S=c1ccnc([C@H]2CCCO2)[nH]1 236709667 344791041 /nfs/dbraw/zinc/79/10/41/344791041.db2.gz MKXZIFVBJGXYIB-ZCFIWIBFSA-N 0 0 182.248 1.617 10 0 ADAERN S=c1cc(-c2ccc[nH]2)nc[nH]1 236651523 344791073 /nfs/dbraw/zinc/79/10/73/344791073.db2.gz LBDARUCKIZMQMT-UHFFFAOYSA-N 0 0 177.232 1.760 10 0 ADAERN S=c1cc(-c2ccncc2)cn[nH]1 236652420 344791076 /nfs/dbraw/zinc/79/10/76/344791076.db2.gz FHDSYJLDYKSZHY-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1cc(C2CC2)nc[nH]1 236650391 344791081 /nfs/dbraw/zinc/79/10/81/344791081.db2.gz GEWZRZUVLFAVFI-UHFFFAOYSA-N 0 0 152.222 1.643 10 0 ADAERN S=c1[nH]cncc1-c1cccnc1 236643879 344791133 /nfs/dbraw/zinc/79/11/33/344791133.db2.gz CSAWKRNYNFFVCD-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1ccnc(-c2cnccn2)[nH]1 236711011 344791137 /nfs/dbraw/zinc/79/11/37/344791137.db2.gz VGLYHHIRBSKLGH-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1cncc(-c2ccccn2)[nH]1 236712187 344791143 /nfs/dbraw/zinc/79/11/43/344791143.db2.gz SKWXDJZSVSTAPE-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1ccnc([C@H]2CCOC2)[nH]1 236709761 344791146 /nfs/dbraw/zinc/79/11/46/344791146.db2.gz VAHWYRVQJDREKG-LURJTMIESA-N 0 0 182.248 1.269 10 0 ADAERN S=c1[nH]cncc1C1CC1 236642750 344791152 /nfs/dbraw/zinc/79/11/52/344791152.db2.gz HKAGCSKPRCIOPJ-UHFFFAOYSA-N 0 0 152.222 1.643 10 0 ADAERN S=c1ccnc(-c2ccncc2)[nH]1 236710791 344791160 /nfs/dbraw/zinc/79/11/60/344791160.db2.gz ZGEXQVWVZGRTHW-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1cncc(-c2cccnc2)[nH]1 236712222 344791165 /nfs/dbraw/zinc/79/11/65/344791165.db2.gz BQOBHMZNKVUZNY-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1ccnc(-c2ncc[nH]2)[nH]1 236711238 344791169 /nfs/dbraw/zinc/79/11/69/344791169.db2.gz LPMNJTUZARFNPO-UHFFFAOYSA-N 0 0 178.220 1.155 10 0 ADAERN S=c1cncc(C2CC2)[nH]1 236711463 344791181 /nfs/dbraw/zinc/79/11/81/344791181.db2.gz WHQOCQASIUDKIV-UHFFFAOYSA-N 0 0 152.222 1.643 10 0 ADAERN S=c1cc(-c2ccccn2)cn[nH]1 236652154 344791185 /nfs/dbraw/zinc/79/11/85/344791185.db2.gz PIWYUWMHQMXWEY-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN S=c1[nH]ccnc1-c1cncnc1 236640863 344791192 /nfs/dbraw/zinc/79/11/92/344791192.db2.gz ODSVREYUMWXENV-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN S=c1cccc(-c2cncnc2)[nH]1 236707572 344791197 /nfs/dbraw/zinc/79/11/97/344791197.db2.gz VBQNKTXHPULNRN-UHFFFAOYSA-N 0 0 189.243 1.827 10 0 ADAERN C/C=C/[C@@H](O)CCCCCCO 238034045 344791422 /nfs/dbraw/zinc/79/14/22/344791422.db2.gz GRYBCQDNZAEWFO-CYZOPGGISA-N 0 0 172.268 1.866 10 0 ADAERN O=C(NC1CC1)C1=CC(=S)CS1 236713642 344791430 /nfs/dbraw/zinc/79/14/30/344791430.db2.gz CKILCIKNTNCTTI-UHFFFAOYSA-N 0 0 199.300 1.929 10 0 ADAERN c1coc(C2=NCCCN2)c1 238022224 344791447 /nfs/dbraw/zinc/79/14/47/344791447.db2.gz DLEDWSBIBUGHPQ-UHFFFAOYSA-N 0 0 150.181 1.020 10 0 ADAERN C/C(=C\CO)C(=O)OC(C)(C)C 238026803 344791458 /nfs/dbraw/zinc/79/14/58/344791458.db2.gz KWHARGSWYIBEIW-FNORWQNLSA-N 0 0 172.224 1.267 10 0 ADAERN c1cnn([C@H]2CCCO2)c1 238028370 344791464 /nfs/dbraw/zinc/79/14/64/344791464.db2.gz PHEIPPIOTVRIDT-SSDOTTSWSA-N 0 0 138.170 1.192 10 0 ADAERN C/C=C/CNC(=O)NC/C=C/C 238013979 344791513 /nfs/dbraw/zinc/79/15/13/344791513.db2.gz OOYGMVOFQDDJLM-GGWOSOGESA-N 0 0 168.240 1.438 10 0 ADAERN c1cnc(OC2CCCC2)nc1 238012061 344791527 /nfs/dbraw/zinc/79/15/27/344791527.db2.gz FHKKHTPIDOAXHX-UHFFFAOYSA-N 0 0 164.208 1.798 10 0 ADAERN c1cnn([C@@H]2CCCO2)c1 238028889 344791607 /nfs/dbraw/zinc/79/16/07/344791607.db2.gz PHEIPPIOTVRIDT-ZETCQYMHSA-N 0 0 138.170 1.192 10 0 ADAERN S=c1cncc(-c2cncnc2)[nH]1 236712509 344791614 /nfs/dbraw/zinc/79/16/14/344791614.db2.gz STXPXEKJJYBMPM-UHFFFAOYSA-N 0 0 190.231 1.222 10 0 ADAERN Brc1cnn2cc[nH]c12 237972913 344791624 /nfs/dbraw/zinc/79/16/24/344791624.db2.gz FOWWECXFRWELLD-UHFFFAOYSA-N 0 0 186.012 1.425 10 0 ADAERN C=Cc1cnc(Br)cn1 237968880 344791688 /nfs/dbraw/zinc/79/16/88/344791688.db2.gz BVRNNZBNHVEWDA-UHFFFAOYSA-N 0 0 185.024 1.882 10 0 ADAERN C=CC(=O)N[C@@H]1CCCC[C@H]2C[C@@H]21 238039785 344792020 /nfs/dbraw/zinc/79/20/20/344792020.db2.gz FAUHSNMMPKETQG-LPEHRKFASA-N 0 0 179.263 1.867 10 0 ADAERN C/C=C/[C@H](O)CCCCCCO 238055903 344792095 /nfs/dbraw/zinc/79/20/95/344792095.db2.gz GRYBCQDNZAEWFO-BPQDVTRRSA-N 0 0 172.268 1.866 10 0 ADAERN C=CC(=O)N[C@@H]1CCCC[C@@H]2C[C@@H]21 238039760 344792118 /nfs/dbraw/zinc/79/21/18/344792118.db2.gz FAUHSNMMPKETQG-KXUCPTDWSA-N 0 0 179.263 1.867 10 0 ADAERN C/C=C/[C@@H](O)c1ccccn1 238039631 344792120 /nfs/dbraw/zinc/79/21/20/344792120.db2.gz PJGDCCQTLNGQSI-OSOUNJMWSA-N 0 0 149.193 1.691 10 0 ADAERN c1ccc(-c2cnn3c2NCC3)cc1 238048408 344792133 /nfs/dbraw/zinc/79/21/33/344792133.db2.gz KDWCSHCJTYRYOW-UHFFFAOYSA-N 0 0 185.230 1.976 10 0 ADAERN C/C=C/[C@@H](O)c1nccn1C 238039763 344792168 /nfs/dbraw/zinc/79/21/68/344792168.db2.gz YYIFMSLVCWHXJD-KGGZQZJCSA-N 0 0 152.197 1.030 10 0 ADAERN C/C=C/[C@@H]1CCC(=O)C1 238040705 344792221 /nfs/dbraw/zinc/79/22/21/344792221.db2.gz GGBIGYPDQYSYAT-TYWZFMJISA-N 0 0 124.183 1.932 10 0 ADAERN CC(=O)Nc1cc(C)oc1C 238075025 344792438 /nfs/dbraw/zinc/79/24/38/344792438.db2.gz IFHXDDKSICKTKC-UHFFFAOYSA-N 0 0 153.181 1.855 10 0 ADAERN C/C=C/[C@H](O)c1ccccn1 238060279 344792445 /nfs/dbraw/zinc/79/24/45/344792445.db2.gz PJGDCCQTLNGQSI-MAHOQKISSA-N 0 0 149.193 1.691 10 0 ADAERN CC(=O)c1ccc2c(n1)CCC2 238069715 344792563 /nfs/dbraw/zinc/79/25/63/344792563.db2.gz ASHIKWOMZGNDMT-UHFFFAOYSA-N 0 0 161.204 1.773 10 0 ADAERN CC(=O)[C@H]1CC[C@H]1C(C)=O 238078457 344792573 /nfs/dbraw/zinc/79/25/73/344792573.db2.gz LCWPMKJHJOWKTN-OCAPTIKFSA-N 0 0 140.182 1.191 10 0 ADAERN CC(=O)Nc1c[nH]c(C(C)=O)c1 238070987 344792698 /nfs/dbraw/zinc/79/26/98/344792698.db2.gz PJUCRINMVJEGNI-UHFFFAOYSA-N 0 0 166.180 1.176 10 0 ADAERN C/C=C/[C@H](O)c1nccn1C 238060362 344792739 /nfs/dbraw/zinc/79/27/39/344792739.db2.gz YYIFMSLVCWHXJD-SDLBARTOSA-N 0 0 152.197 1.030 10 0 ADAERN CC(C)(C)[C@]12CCC(=O)[C@H]1O2 238109107 344793079 /nfs/dbraw/zinc/79/30/79/344793079.db2.gz SBHDVPNPIAORHV-APPZFPTMSA-N 0 0 154.209 1.533 10 0 ADAERN CC(C)(C)[C@H]1NC(=O)C1(C)C 238098003 344793156 /nfs/dbraw/zinc/79/31/56/344793156.db2.gz QMNDWEPJGFZVEO-ZCFIWIBFSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)(C)OC(=O)c1cc(N)on1 238102536 344793188 /nfs/dbraw/zinc/79/31/88/344793188.db2.gz AYCAVDPJEYNCAU-UHFFFAOYSA-N 0 0 184.195 1.212 10 0 ADAERN CC(=O)CC[C@H]1CC(Cl)=NO1 238104982 344793198 /nfs/dbraw/zinc/79/31/98/344793198.db2.gz KTGNVDUYORWXFI-LURJTMIESA-N 0 0 175.615 1.697 10 0 ADAERN 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128.171 1.000 10 0 ADAERN CCCc1nc([C@@H](C)O)c[nH]1 238230949 344796603 /nfs/dbraw/zinc/79/66/03/344796603.db2.gz JHYOSLGEYHUPCT-ZCFIWIBFSA-N 0 0 154.213 1.416 10 0 ADAERN CCNC(=O)Cc1ccsc1C 238237272 344796627 /nfs/dbraw/zinc/79/66/27/344796627.db2.gz TZFGACHPYGNHIO-UHFFFAOYSA-N 0 0 183.276 1.735 10 0 ADAERN CC1(C)C[C@@H](O)c2cc(N)ccc2O1 238233532 344796650 /nfs/dbraw/zinc/79/66/50/344796650.db2.gz FNWFVHPYOCTQHB-SECBINFHSA-N 0 0 193.246 1.863 10 0 ADAERN CCCc1ncc(C=O)o1 238230230 344796661 /nfs/dbraw/zinc/79/66/61/344796661.db2.gz MQJKAKLKQFFJQD-UHFFFAOYSA-N 0 0 139.154 1.440 10 0 ADAERN CC1(C)C[C@@H](CCCO)O1 238237754 344796674 /nfs/dbraw/zinc/79/66/74/344796674.db2.gz JFEXQXMPBYAPAD-SSDOTTSWSA-N 0 0 144.214 1.326 10 0 ADAERN CC1=CC[C@@H](C(=O)CO)C1(C)C 238235797 344796679 /nfs/dbraw/zinc/79/66/79/344796679.db2.gz NAALWPIBELLTHU-QMMMGPOBSA-N 0 0 168.236 1.540 10 0 ADAERN CCC(=O)[C@H](C)[C@H]1CCCO1 238231796 344796680 /nfs/dbraw/zinc/79/66/80/344796680.db2.gz UMYMUZRGODQLRY-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN CC1(c2nc(N)nc(Cl)n2)CC1 238242998 344796999 /nfs/dbraw/zinc/79/69/99/344796999.db2.gz RXJQTLZLBWQVOQ-UHFFFAOYSA-N 0 0 184.630 1.159 10 0 ADAERN CCOC(=O)Cc1ccc(C)c(N)c1 238259220 344797206 /nfs/dbraw/zinc/79/72/06/344797206.db2.gz RBBUVJSJJUTBCE-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN CC1(C)C[C@H](O)c2cc(N)ccc2O1 238240455 344797023 /nfs/dbraw/zinc/79/70/23/344797023.db2.gz FNWFVHPYOCTQHB-VIFPVBQESA-N 0 0 193.246 1.863 10 0 ADAERN CC1(c2ccsc2C=O)OCCO1 238242885 344797067 /nfs/dbraw/zinc/79/70/67/344797067.db2.gz VHPCIUPAWWTYQA-UHFFFAOYSA-N 0 0 198.243 1.780 10 0 ADAERN CCCC[C@]1(C)CNC(=O)C1 238255118 344797224 /nfs/dbraw/zinc/79/72/24/344797224.db2.gz RIQGAMRZEIZCKC-VIFPVBQESA-N 0 0 155.241 1.703 10 0 ADAERN CCO[C@@H](C)[C@H]1CCCC1=O 238253730 344797239 /nfs/dbraw/zinc/79/72/39/344797239.db2.gz BDADVEHSXNTWMO-JGVFFNPUSA-N 0 0 156.225 1.781 10 0 ADAERN CCC[C@H](C)Nc1ncnc(N)n1 238256829 344797242 /nfs/dbraw/zinc/79/72/42/344797242.db2.gz PSAGQUBAWYWEOS-LURJTMIESA-N 0 0 181.243 1.054 10 0 ADAERN CCOC(=O)Cc1c(C)cccc1O 238256757 344797246 /nfs/dbraw/zinc/79/72/46/344797246.db2.gz HDQWTHIJZOHOEK-UHFFFAOYSA-N 0 0 194.230 1.806 10 0 ADAERN CCOC(=O)Cc1c(C)cccc1N 238256741 344797257 /nfs/dbraw/zinc/79/72/57/344797257.db2.gz QIYRPFJXZJUBCY-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN CCOC(=O)[C@@H](O)C(C)(C)CC 238257122 344797260 /nfs/dbraw/zinc/79/72/60/344797260.db2.gz APLPDHXSKISZIF-SSDOTTSWSA-N 0 0 174.240 1.347 10 0 ADAERN CCC[C@@H](O)C(=O)Nc1ccccc1 238253547 344797263 /nfs/dbraw/zinc/79/72/63/344797263.db2.gz LUEJQMOMOBPYSR-SNVBAGLBSA-N 0 0 193.246 1.786 10 0 ADAERN CC1(C)CC(=O)CC(=O)N1 238257504 344797270 /nfs/dbraw/zinc/79/72/70/344797270.db2.gz HKORUQZBDYAMGM-UHFFFAOYSA-N 0 0 141.170 1.210 10 0 ADAERN CCOC(=O)c1cc(C)nc(F)c1 238254915 344797285 /nfs/dbraw/zinc/79/72/85/344797285.db2.gz QAHVKWZVTLBUNI-UHFFFAOYSA-N 0 0 183.182 1.706 10 0 ADAERN CCO[C@@H](Cc1ccc(O)cc1)OC 238259388 344797288 /nfs/dbraw/zinc/79/72/88/344797288.db2.gz ADYCAHAERNCPRP-NSHDSACASA-N 0 0 196.246 1.944 10 0 ADAERN CCOC(=O)c1cc(Cl)no1 238257167 344797298 /nfs/dbraw/zinc/79/72/98/344797298.db2.gz VOADUJXUFUUBSO-UHFFFAOYSA-N 0 0 175.571 1.505 10 0 ADAERN CCOC(=O)c1cc(N)cc(C)c1O 238258398 344797323 /nfs/dbraw/zinc/79/73/23/344797323.db2.gz MYPIHVRYRDGJLU-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCC[C@@H](C)Nc1ncnc(N)n1 238257193 344797332 /nfs/dbraw/zinc/79/73/32/344797332.db2.gz PSAGQUBAWYWEOS-ZCFIWIBFSA-N 0 0 181.243 1.054 10 0 ADAERN CCOC(=O)c1cc(F)ncc1C 238257780 344797352 /nfs/dbraw/zinc/79/73/52/344797352.db2.gz KAFICNZWUGIMPU-UHFFFAOYSA-N 0 0 183.182 1.706 10 0 ADAERN CCOC(=O)Cc1c(O)cccc1F 238257071 344797367 /nfs/dbraw/zinc/79/73/67/344797367.db2.gz CODWNTPBHXKISU-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN CCCC(=O)[C@H](CCC)NC(C)=O 238254998 344797379 /nfs/dbraw/zinc/79/73/79/344797379.db2.gz IDWRVQLJRTYISX-VIFPVBQESA-N 0 0 185.267 1.660 10 0 ADAERN CCOC(=O)c1cc(O)c(N)cc1C 238259332 344797383 /nfs/dbraw/zinc/79/73/83/344797383.db2.gz UNRROIMYGKIHQE-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)[C@H](O)C(C)(C)CC 238257807 344797394 /nfs/dbraw/zinc/79/73/94/344797394.db2.gz APLPDHXSKISZIF-ZETCQYMHSA-N 0 0 174.240 1.347 10 0 ADAERN CCOC(=O)Cc1cc(C)cc(N)c1 238257646 344797397 /nfs/dbraw/zinc/79/73/97/344797397.db2.gz VTQLGCYDPSBFEL-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN CCN1c2ccccc2CC[C@H]1CO 238252067 344797400 /nfs/dbraw/zinc/79/74/00/344797400.db2.gz APIRZZOLMJQJNC-NSHDSACASA-N 0 0 191.274 1.820 10 0 ADAERN CCCC[C@]12C[C@H]1CNC2=O 238257276 344797406 /nfs/dbraw/zinc/79/74/06/344797406.db2.gz MWJLSEQKNRNBPH-CBAPKCEASA-N 0 0 153.225 1.313 10 0 ADAERN CCCC[C@]1(C)CC(=O)NC1=O 238255045 344797410 /nfs/dbraw/zinc/79/74/10/344797410.db2.gz BSXNESATMDDRNR-SECBINFHSA-N 0 0 169.224 1.229 10 0 ADAERN CCOC(=O)c1cc(N)c(C)cn1 238258269 344797426 /nfs/dbraw/zinc/79/74/26/344797426.db2.gz DLICCSBUSQUMPC-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN CCOC(=O)c1cc(C)ncc1C[NH3+] 238255046 344797441 /nfs/dbraw/zinc/79/74/41/344797441.db2.gz LYNURFZVSAXNSZ-UHFFFAOYSA-N 0 0 194.234 1.025 10 0 ADAERN CCOC(=O)c1cc(C)ncc1OC 238255066 344797449 /nfs/dbraw/zinc/79/74/49/344797449.db2.gz CRGAGKSHEPBOCJ-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCNC(=O)c1ccc(C)nc1Cl 238257656 344797469 /nfs/dbraw/zinc/79/74/69/344797469.db2.gz NQWMWADLRGAFCB-UHFFFAOYSA-N 0 0 198.653 1.793 10 0 ADAERN CCOC(=O)c1cc(N)c(C)cc1O 238258256 344797483 /nfs/dbraw/zinc/79/74/83/344797483.db2.gz OHEVMIIPQXXFSQ-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)Cc1ccc(F)cc1O 238259672 344797487 /nfs/dbraw/zinc/79/74/87/344797487.db2.gz YOAIQJUGELXEQL-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN CCNC(=O)c1cc(C)cc(C)n1 238256657 344797500 /nfs/dbraw/zinc/79/75/00/344797500.db2.gz GLAUGBOXPYQCTE-UHFFFAOYSA-N 0 0 178.235 1.448 10 0 ADAERN CCC[C@H](N=[N+]=[N-])c1cn[nH]n1 238252772 344797511 /nfs/dbraw/zinc/79/75/11/344797511.db2.gz ZJLUPIHCSMSGNT-YFKPBYRVSA-N 0 0 166.188 1.956 10 0 ADAERN CCOC(=O)c1cc(OC)ncc1C 238260345 344797726 /nfs/dbraw/zinc/79/77/26/344797726.db2.gz AAEPBJNVGJPDRW-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCO[C@@H]1C[C@H]1C(C)=O 238266644 344797932 /nfs/dbraw/zinc/79/79/32/344797932.db2.gz XOBNPFBPDSZRDM-NKWVEPMBSA-N 0 0 128.171 1.000 10 0 ADAERN CCOc1cc2c(cc1O)CCC2=O 238272392 344797942 /nfs/dbraw/zinc/79/79/42/344797942.db2.gz SGMVIXWAOUQMIS-UHFFFAOYSA-N 0 0 192.214 1.920 10 0 ADAERN CCOc1cc(O)c(N)c(OCC)c1 238270307 344797966 /nfs/dbraw/zinc/79/79/66/344797966.db2.gz XVLOXMBBXPNTCH-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN CCN1CCc2sc(N)nc2C1 238271356 344797981 /nfs/dbraw/zinc/79/79/81/344797981.db2.gz SUBWFVPKDRRFGI-UHFFFAOYSA-N 0 0 183.280 1.103 10 0 ADAERN CCOC(=O)c1ccnc(F)c1C 238269511 344798026 /nfs/dbraw/zinc/79/80/26/344798026.db2.gz MGBCETJUFJZWEC-UHFFFAOYSA-N 0 0 183.182 1.706 10 0 ADAERN CC[C@@H](O)CC(=O)NC1CCCCC1 238268879 344798034 /nfs/dbraw/zinc/79/80/34/344798034.db2.gz HCSZIKMWBWCMTQ-SNVBAGLBSA-N 0 0 199.294 1.596 10 0 ADAERN CC[N@@H+]1CC[C@@]2(CC[C@@H](C(=O)[O-])C2)C1 238268948 344798054 /nfs/dbraw/zinc/79/80/54/344798054.db2.gz VEJNWCJCXFYVOA-MWLCHTKSSA-N 0 0 197.278 1.583 10 0 ADAERN CC[N@@H+]1CC[C@]2(CC[C@@H](C(=O)[O-])C2)C1 238270913 344798057 /nfs/dbraw/zinc/79/80/57/344798057.db2.gz VEJNWCJCXFYVOA-KOLCDFICSA-N 0 0 197.278 1.583 10 0 ADAERN CC[C@@]1(C)CC(=O)CO1 238267413 344798075 /nfs/dbraw/zinc/79/80/75/344798075.db2.gz AXDWWWNKOWMOAQ-ZETCQYMHSA-N 0 0 128.171 1.145 10 0 ADAERN CCOc1cc(OC)c(O)c(OC)c1 238271086 344798090 /nfs/dbraw/zinc/79/80/90/344798090.db2.gz KWBLMWMSSWLNJG-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CC[C@@H](CNC=O)c1ccccc1 238271319 344798106 /nfs/dbraw/zinc/79/81/06/344798106.db2.gz XFXICYCLKBQOBW-JTQLQIEISA-N 0 0 177.247 1.926 10 0 ADAERN C=C=C[C@H](CC)OC(=O)NC(C)=O 238270046 344798184 /nfs/dbraw/zinc/79/81/84/344798184.db2.gz JFMZMVQSJTUVMC-QMMMGPOBSA-N 0 0 183.207 1.379 10 0 ADAERN CCN1C(=O)Cc2cnc(Cl)nc21 238267936 344798191 /nfs/dbraw/zinc/79/81/91/344798191.db2.gz QFLSJZMQVUBHKC-UHFFFAOYSA-N 0 0 197.625 1.039 10 0 ADAERN CCOC(=O)c1nccc(C)c1OC 238283789 344798493 /nfs/dbraw/zinc/79/84/93/344798493.db2.gz AEFREDUWSULOMQ-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCOC(=O)c1cnc(OC)cc1C 238274509 344798402 /nfs/dbraw/zinc/79/84/02/344798402.db2.gz VQCGVVHZLXRTSW-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCC1=C(O)[C@@H]([C@@H](C)CC)NC1=O 238274750 344798449 /nfs/dbraw/zinc/79/84/49/344798449.db2.gz ILNGOKMFQZEILU-POYBYMJQSA-N 0 0 183.251 1.753 10 0 ADAERN CCOC(=O)c1cncc(C)c1OC 238275304 344798459 /nfs/dbraw/zinc/79/84/59/344798459.db2.gz VJJJHYKWDAZBKJ-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CC[C@H](C)[C@H]1NC(=O)[C@@H]1C(C)C 238275018 344798461 /nfs/dbraw/zinc/79/84/61/344798461.db2.gz ANKXEFYATKETGG-DJLDLDEBSA-N 0 0 169.268 1.803 10 0 ADAERN CCOC(=O)c1nc(OC)ccc1C 238281620 344798477 /nfs/dbraw/zinc/79/84/77/344798477.db2.gz SVHCZULJLKZTJO-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CC[C@H](C)c1n[nH]cc1C=O 238277791 344798517 /nfs/dbraw/zinc/79/85/17/344798517.db2.gz DUWBRWKORNHTBJ-LURJTMIESA-N 0 0 152.197 1.736 10 0 ADAERN CCOC(=O)c1cncc(OC)c1C 238275550 344798529 /nfs/dbraw/zinc/79/85/29/344798529.db2.gz IVTASJAWRDGPTG-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCc1[nH]nc(C(F)(F)F)c1C[NH3+] 238283029 344798551 /nfs/dbraw/zinc/79/85/51/344798551.db2.gz HXZJKNOAINCDFI-UHFFFAOYSA-N 0 0 193.172 1.450 10 0 ADAERN CCOC(=O)/C=C/[C@H](CC)CO 238281697 344798567 /nfs/dbraw/zinc/79/85/67/344798567.db2.gz JEALQLHFMLGHPZ-GJIOHYHPSA-N 0 0 172.224 1.124 10 0 ADAERN CC[C@H](C)[C@H]1NC(=O)C1(C)C 238274767 344798578 /nfs/dbraw/zinc/79/85/78/344798578.db2.gz OETRWZDWPSVDKG-NKWVEPMBSA-N 0 0 155.241 1.557 10 0 ADAERN CCOC(=O)/C=C/[C@@H](CC)CO 238280909 344798600 /nfs/dbraw/zinc/79/86/00/344798600.db2.gz JEALQLHFMLGHPZ-HQZHTGGTSA-N 0 0 172.224 1.124 10 0 ADAERN CCOC(=O)c1cnc(OC)c(C)c1 238274446 344798606 /nfs/dbraw/zinc/79/86/06/344798606.db2.gz JFHHZKZOXWJQHK-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CC[C@H]1O[C@H]1C(=O)Nc1ccccc1 238278349 344798612 /nfs/dbraw/zinc/79/86/12/344798612.db2.gz VMJNRUNPVHJXAF-NXEZZACHSA-N 0 0 191.230 1.803 10 0 ADAERN CCOC(=O)/C=C(/CC)CCCO 238292230 344798838 /nfs/dbraw/zinc/79/88/38/344798838.db2.gz FUSZZZXHVSKOLQ-HJWRWDBZSA-N 0 0 186.251 1.658 10 0 ADAERN CCn1c(C=O)cc2ncccc21 238290250 344798850 /nfs/dbraw/zinc/79/88/50/344798850.db2.gz FAXAPJDHKQOVTQ-UHFFFAOYSA-N 0 0 174.203 1.869 10 0 ADAERN CC[C@H](NC=O)c1ccc(O)cc1 238286103 344798858 /nfs/dbraw/zinc/79/88/58/344798858.db2.gz XQDSGHFAQJNSNZ-JTQLQIEISA-N 0 0 179.219 1.589 10 0 ADAERN C=C=C[C@@H](CC)OC(=O)NC(C)=O 238286419 344798902 /nfs/dbraw/zinc/79/89/02/344798902.db2.gz JFMZMVQSJTUVMC-MRVPVSSYSA-N 0 0 183.207 1.379 10 0 ADAERN CC[C@H](C)SC1=[NH+]CCN1 238289198 344798910 /nfs/dbraw/zinc/79/89/10/344798910.db2.gz MUAUFZYQPCYKRC-LURJTMIESA-N 0 0 158.270 1.477 10 0 ADAERN CCO[C@H](C)[C@H]1CCCC1=O 238284787 344798954 /nfs/dbraw/zinc/79/89/54/344798954.db2.gz BDADVEHSXNTWMO-HTQZYQBOSA-N 0 0 156.225 1.781 10 0 ADAERN CCc1ncc(CO)c(C(C)C)n1 238283941 344798976 /nfs/dbraw/zinc/79/89/76/344798976.db2.gz BTHTYLGJVIHGNC-UHFFFAOYSA-N 0 0 180.251 1.655 10 0 ADAERN CCc1nccnc1F 238287533 344798993 /nfs/dbraw/zinc/79/89/93/344798993.db2.gz GWMSSQHCVMUTGS-UHFFFAOYSA-N 0 0 126.134 1.178 10 0 ADAERN CC[C@H](C)OCSCCO 238286349 344799008 /nfs/dbraw/zinc/79/90/08/344799008.db2.gz JSURQUUAHGZZIN-ZETCQYMHSA-N 0 0 164.270 1.485 10 0 ADAERN CCO[C@H](Cc1ccc(O)cc1)OC 238290385 344799027 /nfs/dbraw/zinc/79/90/27/344799027.db2.gz ADYCAHAERNCPRP-LLVKDONJSA-N 0 0 196.246 1.944 10 0 ADAERN CC[C@@H]1O[C@@H]1C(=O)Nc1ccccc1 238291502 344799134 /nfs/dbraw/zinc/79/91/34/344799134.db2.gz VMJNRUNPVHJXAF-UWVGGRQHSA-N 0 0 191.230 1.803 10 0 ADAERN CCO[C@H](C)[C@@H]1CCCC1=O 238284173 344799138 /nfs/dbraw/zinc/79/91/38/344799138.db2.gz BDADVEHSXNTWMO-SFYZADRCSA-N 0 0 156.225 1.781 10 0 ADAERN CCOC(=O)C(F)(F)[C@@H](N)C(C)C 238298173 344799389 /nfs/dbraw/zinc/79/93/89/344799389.db2.gz OYTLLOFDSFZSGJ-LURJTMIESA-N 0 0 195.209 1.168 10 0 ADAERN CCc1c(C)nc2cc(N)nn2c1C 238299234 344799403 /nfs/dbraw/zinc/79/94/03/344799403.db2.gz YPRUAHOFCZLRPC-UHFFFAOYSA-N 0 0 190.250 1.491 10 0 ADAERN CN(c1ccccc1)[C@@H]1CCC1=O 238298518 344799432 /nfs/dbraw/zinc/79/94/32/344799432.db2.gz IFFRJYHOWIBCDZ-SNVBAGLBSA-N 0 0 175.231 1.854 10 0 ADAERN CCOC(=O)c1[nH]ccc1COC 238296715 344799451 /nfs/dbraw/zinc/79/94/51/344799451.db2.gz ZHLDCXNEIKAZRP-UHFFFAOYSA-N 0 0 183.207 1.338 10 0 ADAERN CCn1cc(CCC(=O)OC)cn1 238295844 344799457 /nfs/dbraw/zinc/79/94/57/344799457.db2.gz WPNYEKHVFDIAOS-UHFFFAOYSA-N 0 0 182.223 1.009 10 0 ADAERN CCOC(=O)c1c(C)cccc1C=O 238299046 344799460 /nfs/dbraw/zinc/79/94/60/344799460.db2.gz HCMVFAWDACYGKY-UHFFFAOYSA-N 0 0 192.214 1.984 10 0 ADAERN CCO[C@H]1C[C@H]1C(C)=O 238298014 344799485 /nfs/dbraw/zinc/79/94/85/344799485.db2.gz XOBNPFBPDSZRDM-BQBZGAKWSA-N 0 0 128.171 1.000 10 0 ADAERN CCOC(=O)c1c(C)cncc1N 238299267 344799525 /nfs/dbraw/zinc/79/95/25/344799525.db2.gz SCTMUJHBGJBAIP-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN CCOC(=O)c1cn(C2CCC2)nn1 238295779 344799513 /nfs/dbraw/zinc/79/95/13/344799513.db2.gz XWKWKUJXIPFKEU-UHFFFAOYSA-N 0 0 195.222 1.180 10 0 ADAERN CCOC(=O)c1n[nH]c2c1[C@H](C)CC2 238297635 344799569 /nfs/dbraw/zinc/79/95/69/344799569.db2.gz ZEBXMQSMHXKAOP-ZCFIWIBFSA-N 0 0 194.234 1.636 10 0 ADAERN CCOC(=O)C(F)(F)[C@H](N)C(C)C 238298552 344799591 /nfs/dbraw/zinc/79/95/91/344799591.db2.gz OYTLLOFDSFZSGJ-ZCFIWIBFSA-N 0 0 195.209 1.168 10 0 ADAERN CCOC(=O)c1c(C)ccnc1OC 238299190 344799601 /nfs/dbraw/zinc/79/96/01/344799601.db2.gz IVJAQPYNTZOTOE-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CNC(=O)Oc1ccc(C)cc1N 238301321 344799818 /nfs/dbraw/zinc/79/98/18/344799818.db2.gz FBPJFDOGMJAJCP-UHFFFAOYSA-N 0 0 180.207 1.295 10 0 ADAERN CC[C@@H](NC=O)c1ccc(O)cc1 238301871 344799830 /nfs/dbraw/zinc/79/98/30/344799830.db2.gz XQDSGHFAQJNSNZ-SNVBAGLBSA-N 0 0 179.219 1.589 10 0 ADAERN CCOC(=O)C1([C@H](C)O)CCCC1 238302190 344799862 /nfs/dbraw/zinc/79/98/62/344799862.db2.gz YSFRUNDPSWEFHX-QMMMGPOBSA-N 0 0 186.251 1.491 10 0 ADAERN CCOC(=O)c1c(N)cc(C)cc1O 238301371 344799893 /nfs/dbraw/zinc/79/98/93/344799893.db2.gz QYROUASBFVVSLE-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN COC(=O)N[C@@]1(C)C[C@H]1C 238319090 344799993 /nfs/dbraw/zinc/79/99/93/344799993.db2.gz MLWYARUGXFGLTM-VDTYLAMSSA-N 0 0 143.186 1.141 10 0 ADAERN CCc1cc(C(C)C)[nH]c(=O)n1 238317090 344800023 /nfs/dbraw/zinc/80/00/23/344800023.db2.gz FAXZRYMYDDYBFV-UHFFFAOYSA-N 0 0 166.224 1.868 10 0 ADAERN CCn1cc(OC2CC2)cn1 238317420 344800029 /nfs/dbraw/zinc/80/00/29/344800029.db2.gz NIFFFMHIXLCAKT-UHFFFAOYSA-N 0 0 152.197 1.444 10 0 ADAERN COC(=O)N[C@@]1(C)C[C@@H]1C 238319080 344800047 /nfs/dbraw/zinc/80/00/47/344800047.db2.gz MLWYARUGXFGLTM-FSPLSTOPSA-N 0 0 143.186 1.141 10 0 ADAERN COC(=O)CC(=O)C(C)(Cl)Cl 238318496 344800163 /nfs/dbraw/zinc/80/01/63/344800163.db2.gz XBWFTBKIXNWHPQ-UHFFFAOYSA-N 0 0 199.033 1.312 10 0 ADAERN CCc1cc(C(=O)OC)cc(N)n1 238314796 344800219 /nfs/dbraw/zinc/80/02/19/344800219.db2.gz MVROJAKTNBVHBA-UHFFFAOYSA-N 0 0 180.207 1.013 10 0 ADAERN CCc1cc(C(F)(F)F)nc(=O)[nH]1 238317466 344800233 /nfs/dbraw/zinc/80/02/33/344800233.db2.gz MDUFLUCNCGRGJA-UHFFFAOYSA-N 0 0 192.140 1.763 10 0 ADAERN COC(=O)N[C@@H]1CC2CCC1CC2 238317218 344800290 /nfs/dbraw/zinc/80/02/90/344800290.db2.gz FSLUYOMCBZZMAH-AMDVSUOASA-N 0 0 183.251 1.921 10 0 ADAERN CCc1cc(C(F)(F)F)nc(N)n1 238317439 344800342 /nfs/dbraw/zinc/80/03/42/344800342.db2.gz SCZCXSCQKRSDLY-UHFFFAOYSA-N 0 0 191.156 1.640 10 0 ADAERN CCc1cc(C)c(C(N)=O)c(C)c1 238319223 344800430 /nfs/dbraw/zinc/80/04/30/344800430.db2.gz GUFCTWXYKKTMJW-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CC[C@]1(CO)Cc2ccccc2C1=O 238319907 344800422 /nfs/dbraw/zinc/80/04/22/344800422.db2.gz ZVBVYWFVAGEBDI-GFCCVEGCSA-N 0 0 190.242 1.814 10 0 ADAERN COC(=O)c1c(C)cc(N)cc1OC 238320850 344800432 /nfs/dbraw/zinc/80/04/32/344800432.db2.gz XZHUFRVWPIASPJ-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COC(=O)CC1=C(C)NCCS1 238321885 344800440 /nfs/dbraw/zinc/80/04/40/344800440.db2.gz XHYOGTAQRBXLAB-UHFFFAOYSA-N 0 0 187.264 1.117 10 0 ADAERN COC(=O)c1ccnc(C)c1OC 238323175 344800444 /nfs/dbraw/zinc/80/04/44/344800444.db2.gz CGHHPKYJSXPRNV-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN COC(=O)c1c(C)ccnc1F 238321898 344800467 /nfs/dbraw/zinc/80/04/67/344800467.db2.gz RGFNUVYMUAYWRY-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COC(=O)c1ccnc(C)c1F 238323124 344800468 /nfs/dbraw/zinc/80/04/68/344800468.db2.gz RINMDGZNPSPJEN-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COC(=O)c1ccnc(C)c1Cl 238323105 344800493 /nfs/dbraw/zinc/80/04/93/344800493.db2.gz IPIXRYJECSYJCC-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN COC(=O)c1c(C)cc(N)cc1F 238320838 344800515 /nfs/dbraw/zinc/80/05/15/344800515.db2.gz BMVRSFLYJITKSQ-UHFFFAOYSA-N 0 0 183.182 1.503 10 0 ADAERN CN1C(=O)[C@@H](O)c2ccc(Cl)cc21 238322867 344800523 /nfs/dbraw/zinc/80/05/23/344800523.db2.gz BAOVZPJULCKRJV-QMMMGPOBSA-N 0 0 197.621 1.350 10 0 ADAERN CN1C[C@@](C)(CO)c2ccccc21 238320540 344800527 /nfs/dbraw/zinc/80/05/27/344800527.db2.gz SYPCRQUENDQGLV-NSHDSACASA-N 0 0 177.247 1.386 10 0 ADAERN COC(=O)[C@@H](O)C=C1CCCCC1 238321167 344800534 /nfs/dbraw/zinc/80/05/34/344800534.db2.gz RQDIKTPEOHXLAB-VIFPVBQESA-N 0 0 184.235 1.411 10 0 ADAERN CNc1c(C)ccnc1C 238322847 344800543 /nfs/dbraw/zinc/80/05/43/344800543.db2.gz LDCFAORETMOZJZ-UHFFFAOYSA-N 0 0 136.198 1.740 10 0 ADAERN COC(=O)N[C@]1(C)C[C@@H]1C 238322303 344800553 /nfs/dbraw/zinc/80/05/53/344800553.db2.gz MLWYARUGXFGLTM-CAHLUQPWSA-N 0 0 143.186 1.141 10 0 ADAERN CNC(=[NH2+])c1c([O-])cccc1Cl 238319260 344800555 /nfs/dbraw/zinc/80/05/55/344800555.db2.gz ZYBGTGARODLVNQ-UHFFFAOYSA-N 0 0 184.626 1.590 10 0 ADAERN COC(=O)N[C@]1(C)C[C@H]1C 238322311 344800581 /nfs/dbraw/zinc/80/05/81/344800581.db2.gz MLWYARUGXFGLTM-IYSWYEEDSA-N 0 0 143.186 1.141 10 0 ADAERN COC(=O)N[C@H]1CC2CCC1CC2 238320781 344800583 /nfs/dbraw/zinc/80/05/83/344800583.db2.gz FSLUYOMCBZZMAH-HACHORDNSA-N 0 0 183.251 1.921 10 0 ADAERN CCc1cc(C)cc(C)c1C(N)=O 238319946 344800599 /nfs/dbraw/zinc/80/05/99/344800599.db2.gz RFZYYYPFHHNGPP-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CN(C)c1ncc(F)cc1F 238321578 344800627 /nfs/dbraw/zinc/80/06/27/344800627.db2.gz CRPKVGVGKKQEBI-UHFFFAOYSA-N 0 0 158.151 1.426 10 0 ADAERN CCc1cc(C=O)nn1CC 238321657 344800635 /nfs/dbraw/zinc/80/06/35/344800635.db2.gz WFOJQUJKLUDHNZ-UHFFFAOYSA-N 0 0 152.197 1.278 10 0 ADAERN COC(=O)N=c1cc[nH]s1 238323825 344800845 /nfs/dbraw/zinc/80/08/45/344800845.db2.gz WOKQBJBGGLRKPD-UHFFFAOYSA-N 0 0 158.182 1.321 10 0 ADAERN CCc1cc(CO)cc(Cl)n1 238324180 344800925 /nfs/dbraw/zinc/80/09/25/344800925.db2.gz AZXNKUVCHXWPCW-UHFFFAOYSA-N 0 0 171.627 1.790 10 0 ADAERN CCc1csc(NC(=O)NC)n1 238326520 344800939 /nfs/dbraw/zinc/80/09/39/344800939.db2.gz ASCDVXODPSNJHU-UHFFFAOYSA-N 0 0 185.252 1.457 10 0 ADAERN CN1C[C@](C)(CO)c2ccccc21 238324681 344800941 /nfs/dbraw/zinc/80/09/41/344800941.db2.gz SYPCRQUENDQGLV-LLVKDONJSA-N 0 0 177.247 1.386 10 0 ADAERN COC(=O)c1c(F)ccnc1OC 238327541 344800952 /nfs/dbraw/zinc/80/09/52/344800952.db2.gz XSOVDYXFQHOZIP-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN CCc1cc(F)c(CO)cc1OC 238328731 344801025 /nfs/dbraw/zinc/80/10/25/344801025.db2.gz SDIKVSAXYDSHQX-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN COC(=O)c1ccnc(F)c1C 238323494 344801045 /nfs/dbraw/zinc/80/10/45/344801045.db2.gz KCMUVWVASLGRQX-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COC(=O)c1ccoc1C1CC1 238325263 344801050 /nfs/dbraw/zinc/80/10/50/344801050.db2.gz ZBOQKDPHKASUGC-UHFFFAOYSA-N 0 0 166.176 1.944 10 0 ADAERN COC(=O)CCC(C)(C)C(C)=O 238323952 344801089 /nfs/dbraw/zinc/80/10/89/344801089.db2.gz WXKFPYVMQFSXMB-UHFFFAOYSA-N 0 0 172.224 1.555 10 0 ADAERN COC(=O)c1c(Cl)ccnc1F 238328343 344801097 /nfs/dbraw/zinc/80/10/97/344801097.db2.gz JXRPMSCCJVVUCY-UHFFFAOYSA-N 0 0 189.573 1.661 10 0 ADAERN COC(=O)c1cnc(C)c(Cl)c1 238329438 344801263 /nfs/dbraw/zinc/80/12/63/344801263.db2.gz SFHNAZRNPCBTEJ-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN COC(=O)c1cnc(F)c(OC)c1 238331338 344801279 /nfs/dbraw/zinc/80/12/79/344801279.db2.gz CHLDVJKJHLSIDT-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN CCc1cc(NC=O)ccc1O 238334529 344801295 /nfs/dbraw/zinc/80/12/95/344801295.db2.gz NIEOVNNGFLTLHP-UHFFFAOYSA-N 0 0 165.192 1.523 10 0 ADAERN COC(=O)c1cncc(C)c1Cl 238333781 344801322 /nfs/dbraw/zinc/80/13/22/344801322.db2.gz JAEAPDSRNCANJK-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN COC(=O)c1cncc(F)c1OC 238334064 344801388 /nfs/dbraw/zinc/80/13/88/344801388.db2.gz RJXQWLMZSYVQEX-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COC(=O)c1cnc(Cl)cc1C=O 238330883 344801402 /nfs/dbraw/zinc/80/14/02/344801402.db2.gz HXAVDZGOVOYOLC-UHFFFAOYSA-N 0 0 199.593 1.334 10 0 ADAERN COC(CC(C)(C)CCO)OC 238332583 344801436 /nfs/dbraw/zinc/80/14/36/344801436.db2.gz WILFHVFCZVXVJZ-UHFFFAOYSA-N 0 0 176.256 1.404 10 0 ADAERN C[N@@H+]1CC[C@@]2(CC[C@@H](C(=O)[O-])C2)C1 238329440 344801444 /nfs/dbraw/zinc/80/14/44/344801444.db2.gz FIYKDHSFCHEBGS-PSASIEDQSA-N 0 0 183.251 1.193 10 0 ADAERN CCc1cc(O)c(OC)cc1N 238335753 344801504 /nfs/dbraw/zinc/80/15/04/344801504.db2.gz QVWHQWMEFHIHJW-UHFFFAOYSA-N 0 0 167.208 1.545 10 0 ADAERN COC(=O)c1cncc(C)c1OC 238333811 344801520 /nfs/dbraw/zinc/80/15/20/344801520.db2.gz RTLOEFCDMFRSPT-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN CN(C[C@@H]1CCCO1)c1ccccn1 238331996 344801523 /nfs/dbraw/zinc/80/15/23/344801523.db2.gz XFKLPWJBXKKKOR-JTQLQIEISA-N 0 0 192.262 1.697 10 0 ADAERN CCc1nc(C(C)C)ncc1CO 238329297 344801535 /nfs/dbraw/zinc/80/15/35/344801535.db2.gz NVQNEHIDZALMID-UHFFFAOYSA-N 0 0 180.251 1.655 10 0 ADAERN COC(=O)c1c(N)cc(F)cc1OC 238330716 344801582 /nfs/dbraw/zinc/80/15/82/344801582.db2.gz BDFLTDBKRFKYGP-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN COc1cnc(OC(F)F)cn1 238342535 344801774 /nfs/dbraw/zinc/80/17/74/344801774.db2.gz IJWHXLJFMGXTPZ-UHFFFAOYSA-N 0 0 176.122 1.087 10 0 ADAERN CNC(=O)c1cc(C)cc(C)n1 238337305 344801776 /nfs/dbraw/zinc/80/17/76/344801776.db2.gz CHMXJIQTKYWBLE-UHFFFAOYSA-N 0 0 164.208 1.058 10 0 ADAERN 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344804287 /nfs/dbraw/zinc/80/42/87/344804287.db2.gz FVEIIZMEWAJFCG-UHFFFAOYSA-N 0 0 163.180 1.275 10 0 ADAERN COc1cc(C)nc(F)c1 238384239 344804297 /nfs/dbraw/zinc/80/42/97/344804297.db2.gz PBPVBRWGXHOXMN-UHFFFAOYSA-N 0 0 141.145 1.538 10 0 ADAERN COc1cccnc1OC(F)(F)F 238380339 344804299 /nfs/dbraw/zinc/80/42/99/344804299.db2.gz ZUNXNLPQELCVON-UHFFFAOYSA-N 0 0 193.124 1.989 10 0 ADAERN COc1ccc2nccn2c1C 238383987 344804309 /nfs/dbraw/zinc/80/43/09/344804309.db2.gz LMXCKBQQRYPATQ-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN COC(=O)Cc1c(Cl)ccnc1C 238381599 344804359 /nfs/dbraw/zinc/80/43/59/344804359.db2.gz LAEQFYOETHHWKF-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN C[C@@H](O)CCc1ccccc1N 238382188 344804381 /nfs/dbraw/zinc/80/43/81/344804381.db2.gz YYIYSUWJWQSCNU-MRVPVSSYSA-N 0 0 165.236 1.582 10 0 ADAERN COc1ccncc1OC(F)(F)F 238387238 344804542 /nfs/dbraw/zinc/80/45/42/344804542.db2.gz KLMUINNYSACGCM-UHFFFAOYSA-N 0 0 193.124 1.989 10 0 ADAERN COc1ccc(CC[C@@H](F)CO)cc1 238387189 344804525 /nfs/dbraw/zinc/80/45/25/344804525.db2.gz IPBKIBXFOXPZOB-SNVBAGLBSA-N 0 0 198.237 1.958 10 0 ADAERN COc1nc(F)ccc1Cl 238387376 344804526 /nfs/dbraw/zinc/80/45/26/344804526.db2.gz VWOCYEGEDZGODE-UHFFFAOYSA-N 0 0 161.563 1.883 10 0 ADAERN COc1ccc(OC)c(Cl)n1 238386583 344804528 /nfs/dbraw/zinc/80/45/28/344804528.db2.gz SSFNIUQGMKQMHG-UHFFFAOYSA-N 0 0 173.599 1.752 10 0 ADAERN C[C@@H](O)c1ccc(N)c(Cl)c1 238388402 344804536 /nfs/dbraw/zinc/80/45/36/344804536.db2.gz QNBBAXOWMQYWJP-RXMQYKEDSA-N 0 0 171.627 1.976 10 0 ADAERN COC(=O)Cc1cc(Cl)cnc1C 238387537 344804537 /nfs/dbraw/zinc/80/45/37/344804537.db2.gz LSUQLRLFAHIBKG-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COc1cc[nH]c(=O)c1C 238385410 344804541 /nfs/dbraw/zinc/80/45/41/344804541.db2.gz MIZLJFAICGGUMU-UHFFFAOYSA-N 0 0 139.154 1.104 10 0 ADAERN COc1ccnc2ncnc(Cl)c12 238386881 344804551 /nfs/dbraw/zinc/80/45/51/344804551.db2.gz MPJJMTUFNCLGFJ-UHFFFAOYSA-N 0 0 195.609 1.687 10 0 ADAERN COC(=O)Cc1cc(C)cnc1Cl 238386814 344804562 /nfs/dbraw/zinc/80/45/62/344804562.db2.gz WMHQPQYPROGHOQ-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN Cc1ccc([C@@H](C)O)[nH]1 238387071 344804567 /nfs/dbraw/zinc/80/45/67/344804567.db2.gz XGOFVFUSUZDCEM-ZCFIWIBFSA-N 0 0 125.171 1.376 10 0 ADAERN COc1ccc(OC)c(F)n1 238386609 344804576 /nfs/dbraw/zinc/80/45/76/344804576.db2.gz MSTOMCAQVYXXSP-UHFFFAOYSA-N 0 0 157.144 1.238 10 0 ADAERN COC(=O)Cc1cc(Cl)ncc1C 238387656 344804580 /nfs/dbraw/zinc/80/45/80/344804580.db2.gz FTTPCKBSZNYDSO-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)Cc1cc(C)c(Cl)cn1 238386481 344804594 /nfs/dbraw/zinc/80/45/94/344804594.db2.gz HUJQCLKFOHOQPI-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)c1cc2[nH]nc(C)c2s1 238389616 344804606 /nfs/dbraw/zinc/80/46/06/344804606.db2.gz YTVHZANKSHUIJX-UHFFFAOYSA-N 0 0 196.231 1.719 10 0 ADAERN COC(=O)Cc1cc(F)nc(F)c1 238388119 344804607 /nfs/dbraw/zinc/80/46/07/344804607.db2.gz WGDXIDPHOWCWTG-UHFFFAOYSA-N 0 0 187.145 1.075 10 0 ADAERN Cc1c(N)cccc1[C@@H](C)O 238389305 344804629 /nfs/dbraw/zinc/80/46/29/344804629.db2.gz HKVURQOFYBCCHX-SSDOTTSWSA-N 0 0 151.209 1.631 10 0 ADAERN COC(=O)Cc1cc(Cl)c(C)cn1 238387204 344804640 /nfs/dbraw/zinc/80/46/40/344804640.db2.gz INVHXLUNXLBBAF-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)Cc1cc(C)ncc1Cl 238386902 344804651 /nfs/dbraw/zinc/80/46/51/344804651.db2.gz FPMDZNQWTFBURB-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)Cc1cc(Cl)cc(C)n1 238387370 344804677 /nfs/dbraw/zinc/80/46/77/344804677.db2.gz YPVXUVPTIOXJLZ-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)c1ccc(C)nc1F 238385590 344804681 /nfs/dbraw/zinc/80/46/81/344804681.db2.gz FFTUYIKBLPTVBU-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1ccnc(OC(F)(F)F)c1 238385505 344804684 /nfs/dbraw/zinc/80/46/84/344804684.db2.gz MLEDNKCQKMQCDL-UHFFFAOYSA-N 0 0 193.124 1.989 10 0 ADAERN COC(=O)Cc1cc(O)ccc1C 238389268 344804688 /nfs/dbraw/zinc/80/46/88/344804688.db2.gz TWSMJLMOZCGTMF-UHFFFAOYSA-N 0 0 180.203 1.416 10 0 ADAERN COc1cc(NC(N)=S)ccc1C 238386835 344804694 /nfs/dbraw/zinc/80/46/94/344804694.db2.gz RTBDIHOBJHAIET-UHFFFAOYSA-N 0 0 196.275 1.659 10 0 ADAERN COC(=O)Cc1cc(C)nc(Cl)c1 238386873 344804701 /nfs/dbraw/zinc/80/47/01/344804701.db2.gz UEUBMUQZUCLZGP-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)Cc1cc(OC)ccc1C 238389557 344804707 /nfs/dbraw/zinc/80/47/07/344804707.db2.gz HJBANRMDFAYHIN-UHFFFAOYSA-N 0 0 194.230 1.719 10 0 ADAERN COC(=O)c1ccc(C)n2nccc12 238385499 344804717 /nfs/dbraw/zinc/80/47/17/344804717.db2.gz MEQSNRHWYZOWAO-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN COC(=O)Cc1cc(C)cc(Cl)n1 238386595 344804720 /nfs/dbraw/zinc/80/47/20/344804720.db2.gz XGCHBJAVUUDPFK-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)c1ccc(N)c(OC)c1F 238392718 344804867 /nfs/dbraw/zinc/80/48/67/344804867.db2.gz WZDGEDJKYQGIGC-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN COC(=O)Cc1ccc(Cl)c(C)n1 238391385 344804907 /nfs/dbraw/zinc/80/49/07/344804907.db2.gz CLZNQEQDNLNZIM-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COc1cc2c(cc1C)NCCO2 238395781 344804911 /nfs/dbraw/zinc/80/49/11/344804911.db2.gz OTJCWZZJDYIYJE-UHFFFAOYSA-N 0 0 179.219 1.808 10 0 ADAERN COc1cc(O)c(F)c(OC)c1 238391888 344804922 /nfs/dbraw/zinc/80/49/22/344804922.db2.gz ZHTOTYNKMRITDN-UHFFFAOYSA-N 0 0 172.155 1.549 10 0 ADAERN COC(=O)Cc1ccc(Cl)nc1C 238391603 344804937 /nfs/dbraw/zinc/80/49/37/344804937.db2.gz JKCMILXQIFUACZ-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)c1ccc(OC)c(F)n1 238396392 344804954 /nfs/dbraw/zinc/80/49/54/344804954.db2.gz YJUVQRHJLLDJPN-UHFFFAOYSA-N 0 0 185.154 1.016 10 0 ADAERN COc1ccc(-c2ncc[nH]2)cn1 238390752 344804998 /nfs/dbraw/zinc/80/49/98/344804998.db2.gz BUKMIIXKHJAVRG-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN COC(=O)Cc1cccc(O)c1OC 238395618 344805013 /nfs/dbraw/zinc/80/50/13/344805013.db2.gz ONXUJZGQZQOBPI-UHFFFAOYSA-N 0 0 196.202 1.116 10 0 ADAERN COC(=O)Cc1ccc(C)nc1Cl 238391046 344805025 /nfs/dbraw/zinc/80/50/25/344805025.db2.gz QOZDEQUKEWDJIQ-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN C[C@@H]1CCCC[C@]1(C)NC=O 238396283 344805054 /nfs/dbraw/zinc/80/50/54/344805054.db2.gz CIBXKBSSZADKJX-BDAKNGLRSA-N 0 0 155.241 1.701 10 0 ADAERN COc1cc(O)cc(C)c1N 238394105 344805069 /nfs/dbraw/zinc/80/50/69/344805069.db2.gz YRONZKKRIUVETI-UHFFFAOYSA-N 0 0 153.181 1.291 10 0 ADAERN C[C@@H](O)c1n[nH]c2ccccc12 238393289 344805073 /nfs/dbraw/zinc/80/50/73/344805073.db2.gz FINUIWMDVXUDSX-ZCFIWIBFSA-N 0 0 162.192 1.616 10 0 ADAERN COc1nc(N)nc2ccsc12 238392946 344805085 /nfs/dbraw/zinc/80/50/85/344805085.db2.gz QWLPPXIVACRXHE-UHFFFAOYSA-N 0 0 181.220 1.282 10 0 ADAERN COC(=O)Cc1cccc(N)c1Cl 238395326 344805099 /nfs/dbraw/zinc/80/50/99/344805099.db2.gz MFDRPKYVKVFOSL-UHFFFAOYSA-N 0 0 199.637 1.638 10 0 ADAERN COC(=O)Cc1cccc(OC)c1C 238395673 344805125 /nfs/dbraw/zinc/80/51/25/344805125.db2.gz AXPMWHNBASUCOY-UHFFFAOYSA-N 0 0 194.230 1.719 10 0 ADAERN COC(=O)c1ccc(N)c(OC)c1C 238392695 344805143 /nfs/dbraw/zinc/80/51/43/344805143.db2.gz XIYZFLGAPCPGGM-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COc1cc(O)cnc1C(F)(F)F 238398547 344805291 /nfs/dbraw/zinc/80/52/91/344805291.db2.gz FMDUSKPRAQXGAM-UHFFFAOYSA-N 0 0 193.124 1.815 10 0 ADAERN COC(=O)Cc1cncc(Cl)c1C 238398736 344805304 /nfs/dbraw/zinc/80/53/04/344805304.db2.gz UDBLMLDODPIYGV-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN CO[C@@H]1CCCC[C@@H]1NC(C)=O 238398045 344805334 /nfs/dbraw/zinc/80/53/34/344805334.db2.gz GGIYVRCOSNSOOO-DTWKUNHWSA-N 0 0 171.240 1.080 10 0 ADAERN CO[C@@H]1CCCC[C@H]1NC(C)=O 238398739 344805354 /nfs/dbraw/zinc/80/53/54/344805354.db2.gz GGIYVRCOSNSOOO-RKDXNWHRSA-N 0 0 171.240 1.080 10 0 ADAERN COc1ccc2c(c1F)NC(=O)C2 238397073 344805360 /nfs/dbraw/zinc/80/53/60/344805360.db2.gz GQNKOWZTGJPPDI-UHFFFAOYSA-N 0 0 181.166 1.329 10 0 ADAERN COC(=O)Cc1cnc(C)c(Cl)c1 238397689 344805371 /nfs/dbraw/zinc/80/53/71/344805371.db2.gz PMLSTVGNWADVJI-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN C[C@@H](O)C[C@@H]1CNc2ccccc21 238396930 344805392 /nfs/dbraw/zinc/80/53/92/344805392.db2.gz IUQRSHWHHYQMRF-RKDXNWHRSA-N 0 0 177.247 1.967 10 0 ADAERN C[C@@H]1CCCC[C@]12CC(=O)CO2 238397582 344805394 /nfs/dbraw/zinc/80/53/94/344805394.db2.gz DLLKNVCNCWSDAA-SCZZXKLOSA-N 0 0 168.236 1.925 10 0 ADAERN COC(=O)Cc1cnc(Cl)cc1C 238397844 344805398 /nfs/dbraw/zinc/80/53/98/344805398.db2.gz RAVHFJFVSJUBKE-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)Cc1cncc(C)c1Cl 238398711 344805406 /nfs/dbraw/zinc/80/54/06/344805406.db2.gz OQZFQVZPMBTRLY-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)Cc1ccnc(C)c1Cl 238396722 344805408 /nfs/dbraw/zinc/80/54/08/344805408.db2.gz YFCPJWNRGSNAFM-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN C[C@@H]1CCCC[C@]12OC[C@@H](CO)O2 238398018 344805411 /nfs/dbraw/zinc/80/54/11/344805411.db2.gz SESFVARAGWRFQR-OPRDCNLKSA-N 0 0 186.251 1.301 10 0 ADAERN COC(=O)Cc1nc(Cl)ccc1C 238400064 344805428 /nfs/dbraw/zinc/80/54/28/344805428.db2.gz DNYWSJCREVVNGK-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COC(=O)Cc1cnc(C)cc1Cl 238397761 344805430 /nfs/dbraw/zinc/80/54/30/344805430.db2.gz RKNMPGNPWTUOML-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN COc1cccc2c1CCN2CCO 238397422 344805432 /nfs/dbraw/zinc/80/54/32/344805432.db2.gz WAPMEMQMAYKKBD-UHFFFAOYSA-N 0 0 193.246 1.050 10 0 ADAERN COC(=O)Cc1nc(C)ccc1Cl 238399895 344805453 /nfs/dbraw/zinc/80/54/53/344805453.db2.gz HPYMREZSDRNLBL-UHFFFAOYSA-N 0 0 199.637 1.759 10 0 ADAERN C[C@@H](N)c1nc2cccc(F)c2o1 238399090 344805456 /nfs/dbraw/zinc/80/54/56/344805456.db2.gz AJVWLGALUYGWEH-RXMQYKEDSA-N 0 0 180.182 1.987 10 0 ADAERN COc1c(Cl)cncc1C=O 238398227 344805474 /nfs/dbraw/zinc/80/54/74/344805474.db2.gz BJIKGFPZOWVMDI-UHFFFAOYSA-N 0 0 171.583 1.556 10 0 ADAERN COc1ccc([C@@H](C)NO)cc1O 238397945 344805475 /nfs/dbraw/zinc/80/54/75/344805475.db2.gz FBNWTNBOISQHMD-ZCFIWIBFSA-N 0 0 183.207 1.441 10 0 ADAERN COc1ccc2c(c1)CCN2C(N)=O 238403398 344805624 /nfs/dbraw/zinc/80/56/24/344805624.db2.gz MYEZTQWNQKAJOQ-UHFFFAOYSA-N 0 0 192.218 1.136 10 0 ADAERN COc1cc(OC)c(C(N)=O)cc1C 238404022 344805637 /nfs/dbraw/zinc/80/56/37/344805637.db2.gz NWCYWSFGEBLSFF-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN C[C@@H]1OC(=O)N[C@@H]1c1ccc(F)cc1 238403212 344805652 /nfs/dbraw/zinc/80/56/52/344805652.db2.gz HNFJNKXFUYOSGY-RCOVLWMOSA-N 0 0 195.193 1.995 10 0 ADAERN COc1cc(OC)c(C)c(C(N)=O)c1 238404146 344805720 /nfs/dbraw/zinc/80/57/20/344805720.db2.gz FKSWZKDRXBEUDH-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN COc1ccc2c(c1)[C@](C)(CO)CN2 238405527 344805730 /nfs/dbraw/zinc/80/57/30/344805730.db2.gz SBIWLHOPTCTATQ-NSHDSACASA-N 0 0 193.246 1.371 10 0 ADAERN C[C@@H]1C[C@@H](C)C(=O)CCCC1=O 238418346 344806154 /nfs/dbraw/zinc/80/61/54/344806154.db2.gz OYWYQDBFTYNACS-HTQZYQBOSA-N 0 0 168.236 1.971 10 0 ADAERN COc1nccc(F)c1Cl 238425810 344805989 /nfs/dbraw/zinc/80/59/89/344805989.db2.gz LYBMABSITXQESM-UHFFFAOYSA-N 0 0 161.563 1.883 10 0 ADAERN COc1nccc(C(C)=O)c1Cl 238422666 344806053 /nfs/dbraw/zinc/80/60/53/344806053.db2.gz IKEUPRZCLNVFPH-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN C[C@@H]1CC(CNC(N)=O)C[C@@H](C)C1 238423746 344806058 /nfs/dbraw/zinc/80/60/58/344806058.db2.gz MJYVHTVBKWQTQT-YUMQZZPRSA-N 0 0 184.283 1.727 10 0 ADAERN C[C@@H](O)C(C)(C)c1nc(C=O)cs1 238421117 344806070 /nfs/dbraw/zinc/80/60/70/344806070.db2.gz ZVFZGEBWSMUABA-ZCFIWIBFSA-N 0 0 199.275 1.614 10 0 ADAERN Cc1ccc([C@@H](C)CNC(N)=O)cc1 238420694 344806083 /nfs/dbraw/zinc/80/60/83/344806083.db2.gz WJPYOXMTVWMUIC-VIFPVBQESA-N 0 0 192.262 1.767 10 0 ADAERN COc1nccc(C=O)c1C 238424364 344806110 /nfs/dbraw/zinc/80/61/10/344806110.db2.gz MCUCCPJRNMCESR-UHFFFAOYSA-N 0 0 151.165 1.211 10 0 ADAERN C[C@H](O)C(C)(C)c1nc(C=O)cs1 238418086 344806141 /nfs/dbraw/zinc/80/61/41/344806141.db2.gz ZVFZGEBWSMUABA-LURJTMIESA-N 0 0 199.275 1.614 10 0 ADAERN Cc1ccc([C@H](C)CNC(N)=O)cc1 238420382 344806153 /nfs/dbraw/zinc/80/61/53/344806153.db2.gz WJPYOXMTVWMUIC-SECBINFHSA-N 0 0 192.262 1.767 10 0 ADAERN COc1nccc(C)c1OC 238424167 344806181 /nfs/dbraw/zinc/80/61/81/344806181.db2.gz NUHOFYAVLFMJKA-UHFFFAOYSA-N 0 0 153.181 1.407 10 0 ADAERN COc1nccc(F)c1F 238425830 344806183 /nfs/dbraw/zinc/80/61/83/344806183.db2.gz SLFKHVMCPIHBRX-UHFFFAOYSA-N 0 0 145.108 1.368 10 0 ADAERN COC(=O)c1nc(C2CC2)oc1C 238420358 344806187 /nfs/dbraw/zinc/80/61/87/344806187.db2.gz ZLBWXRYONJTBLP-UHFFFAOYSA-N 0 0 181.191 1.647 10 0 ADAERN COc1c(N)ccnc1C(F)(F)F 238427095 344806191 /nfs/dbraw/zinc/80/61/91/344806191.db2.gz IMEXWWQEDFOGLP-UHFFFAOYSA-N 0 0 192.140 1.691 10 0 ADAERN CC(=O)CCC(=O)CC[C@H](C)O 238428234 344806260 /nfs/dbraw/zinc/80/62/60/344806260.db2.gz DEWZTZVFWGOLJK-ZETCQYMHSA-N 0 0 172.224 1.086 10 0 ADAERN COc1ncccc1OC(F)(F)F 238433168 344806338 /nfs/dbraw/zinc/80/63/38/344806338.db2.gz KSJYRFMKDBJINS-UHFFFAOYSA-N 0 0 193.124 1.989 10 0 ADAERN C[C@H]1CCCC[C@@]1(C)NC=O 238429464 344806370 /nfs/dbraw/zinc/80/63/70/344806370.db2.gz CIBXKBSSZADKJX-DTWKUNHWSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@@H](O)CC1(C)CC1 238428365 344806378 /nfs/dbraw/zinc/80/63/78/344806378.db2.gz BOHVBXCXLRBDSD-ZCFIWIBFSA-N 0 0 114.188 1.557 10 0 ADAERN CC(=O)CCC(=O)CC[C@@H](C)O 238429255 344806429 /nfs/dbraw/zinc/80/64/29/344806429.db2.gz DEWZTZVFWGOLJK-SSDOTTSWSA-N 0 0 172.224 1.086 10 0 ADAERN C[C@H](NO)c1ccc(O)c(F)c1 238428741 344806436 /nfs/dbraw/zinc/80/64/36/344806436.db2.gz OAKFBUZMLRXHDZ-YFKPBYRVSA-N 0 0 171.171 1.571 10 0 ADAERN COc1ncccc1[C@@H]1CCC(=O)C1 238433401 344806458 /nfs/dbraw/zinc/80/64/58/344806458.db2.gz WZUSCRMDSHYDNR-MRVPVSSYSA-N 0 0 191.230 1.927 10 0 ADAERN CC(C)=CCOC[C@H](C)CCO 238434293 344806513 /nfs/dbraw/zinc/80/65/13/344806513.db2.gz OKLRBOVOKQHQCQ-SNVBAGLBSA-N 0 0 172.268 1.988 10 0 ADAERN COc1nccnc1C(F)F 238434924 344806524 /nfs/dbraw/zinc/80/65/24/344806524.db2.gz WIYCJTPXWMJSBO-UHFFFAOYSA-N 0 0 160.123 1.423 10 0 ADAERN COc1ncccc1[C@H]1CCC(=O)C1 238434078 344806542 /nfs/dbraw/zinc/80/65/42/344806542.db2.gz WZUSCRMDSHYDNR-QMMMGPOBSA-N 0 0 191.230 1.927 10 0 ADAERN C[C@H]1CCCC[C@@]12CC(=O)CO2 238430504 344806549 /nfs/dbraw/zinc/80/65/49/344806549.db2.gz DLLKNVCNCWSDAA-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1ccccc1[C@H]1CNC(=O)[C@@H]1C 238436363 344806689 /nfs/dbraw/zinc/80/66/89/344806689.db2.gz QLSDMEFZWVJTMP-KOLCDFICSA-N 0 0 189.258 1.845 10 0 ADAERN Cc1ccc([C@H](C)O)[nH]1 238438754 344806693 /nfs/dbraw/zinc/80/66/93/344806693.db2.gz XGOFVFUSUZDCEM-LURJTMIESA-N 0 0 125.171 1.376 10 0 ADAERN C[C@H]1CCCC[C@]12CC(=O)CO2 238440219 344806696 /nfs/dbraw/zinc/80/66/96/344806696.db2.gz DLLKNVCNCWSDAA-WPRPVWTQSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@H]1C[C@@H]2CCC(=O)[C@H]21 238439393 344806698 /nfs/dbraw/zinc/80/66/98/344806698.db2.gz JRVKKSUVNIDTRJ-CHKWXVPMSA-N 0 0 124.183 1.622 10 0 ADAERN COc1c(O)cncc1Cl 238438920 344806720 /nfs/dbraw/zinc/80/67/20/344806720.db2.gz CSSJCVHXBZBVQB-UHFFFAOYSA-N 0 0 159.572 1.449 10 0 ADAERN C[C@H](CO)c1ccccc1CO 238438834 344806723 /nfs/dbraw/zinc/80/67/23/344806723.db2.gz IINHJCSMYPKHGS-MRVPVSSYSA-N 0 0 166.220 1.275 10 0 ADAERN C[C@H]1CCCC[C@]1(C)NC=O 238438856 344806733 /nfs/dbraw/zinc/80/67/33/344806733.db2.gz CIBXKBSSZADKJX-IUCAKERBSA-N 0 0 155.241 1.701 10 0 ADAERN Cc1c(N)cccc1[C@H](C)O 238441272 344806744 /nfs/dbraw/zinc/80/67/44/344806744.db2.gz HKVURQOFYBCCHX-ZETCQYMHSA-N 0 0 151.209 1.631 10 0 ADAERN Cc1ccccc1[C@@H]1CNC(=O)[C@H]1C 238441458 344806759 /nfs/dbraw/zinc/80/67/59/344806759.db2.gz QLSDMEFZWVJTMP-GXSJLCMTSA-N 0 0 189.258 1.845 10 0 ADAERN CC(C)=CCO[C@H](C)CCO 238435012 344806768 /nfs/dbraw/zinc/80/67/68/344806768.db2.gz KMBDCBVDDQKCOT-SECBINFHSA-N 0 0 158.241 1.740 10 0 ADAERN C[C@H](O)CCc1ccccc1N 238436133 344806824 /nfs/dbraw/zinc/80/68/24/344806824.db2.gz YYIYSUWJWQSCNU-QMMMGPOBSA-N 0 0 165.236 1.582 10 0 ADAERN COc1nccnc1OC(F)F 238435278 344806838 /nfs/dbraw/zinc/80/68/38/344806838.db2.gz OFZWVVJTATZLBL-UHFFFAOYSA-N 0 0 176.122 1.087 10 0 ADAERN C[C@H](O)c1ccc(N)c(Cl)c1 238440286 344806844 /nfs/dbraw/zinc/80/68/44/344806844.db2.gz QNBBAXOWMQYWJP-YFKPBYRVSA-N 0 0 171.627 1.976 10 0 ADAERN COc1c(O)ccc(N)c1Cl 238435291 344806861 /nfs/dbraw/zinc/80/68/61/344806861.db2.gz IXRGVVMDNGFMPK-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN C[C@H]1CNC(=O)c2ccccc2N1 238439396 344806863 /nfs/dbraw/zinc/80/68/63/344806863.db2.gz XAWVLVJSKWIXEX-ZETCQYMHSA-N 0 0 176.219 1.230 10 0 ADAERN C=CC(=O)Nc1ccc(N)cc1C 238451364 344807079 /nfs/dbraw/zinc/80/70/79/344807079.db2.gz GBOIAOQFKWVYGF-UHFFFAOYSA-N 0 0 176.219 1.702 10 0 ADAERN CC(=O)C[C@@H]1C(=O)CCC[C@H]1C 238444348 344807085 /nfs/dbraw/zinc/80/70/85/344807085.db2.gz KRYMSUNICBBKIJ-APPZFPTMSA-N 0 0 168.236 1.971 10 0 ADAERN C[C@@H]1C(=O)[C@@H]2CCC[C@H]12 238442451 344807088 /nfs/dbraw/zinc/80/70/88/344807088.db2.gz NVHFIURKJYRESS-RRKCRQDMSA-N 0 0 124.183 1.622 10 0 ADAERN C[C@H]1CC[C@](C)(C(N)=O)C1(C)C 238450476 344807094 /nfs/dbraw/zinc/80/70/94/344807094.db2.gz PWQSVEFGVAGGSM-OIBJUYFYSA-N 0 0 169.268 1.934 10 0 ADAERN C[C@](O)(c1ccc[nH]1)C(F)(F)F 238452033 344807132 /nfs/dbraw/zinc/80/71/32/344807132.db2.gz NOYPDVTZQHBFTO-LURJTMIESA-N 0 0 179.141 1.785 10 0 ADAERN C[C@H](O)C[C@@H]1CNc2ccccc21 238448313 344807149 /nfs/dbraw/zinc/80/71/49/344807149.db2.gz IUQRSHWHHYQMRF-DTWKUNHWSA-N 0 0 177.247 1.967 10 0 ADAERN C[C@@H]1[C@@H](O)C(=O)[C@@H]2C[C@H]1C2(C)C 238443552 344807156 /nfs/dbraw/zinc/80/71/56/344807156.db2.gz IQOJZTAWQHLCIX-FKSUSPILSA-N 0 0 168.236 1.228 10 0 ADAERN C[C@@H]1CNC(=O)c2ccccc2N1 238451902 344807161 /nfs/dbraw/zinc/80/71/61/344807161.db2.gz XAWVLVJSKWIXEX-SSDOTTSWSA-N 0 0 176.219 1.230 10 0 ADAERN C[C@H]1CCC[C@@H](C)[C@H]1O 238449427 344807163 /nfs/dbraw/zinc/80/71/63/344807163.db2.gz MOISVRZIQDQVPF-RNLVFQAGSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@H](O)C[C@H]1CNc2ccccc21 238450837 344807168 /nfs/dbraw/zinc/80/71/68/344807168.db2.gz IUQRSHWHHYQMRF-IUCAKERBSA-N 0 0 177.247 1.967 10 0 ADAERN Cc1ccccc1[C@@H]1CNC(=O)[C@@H]1C 238446682 344807169 /nfs/dbraw/zinc/80/71/69/344807169.db2.gz QLSDMEFZWVJTMP-MWLCHTKSSA-N 0 0 189.258 1.845 10 0 ADAERN CC(=O)NC1=CCCC[C@H]1C 238447835 344807227 /nfs/dbraw/zinc/80/72/27/344807227.db2.gz MWXLELPOUYGBAV-SSDOTTSWSA-N 0 0 153.225 1.826 10 0 ADAERN C[C@H]1[C@@H](O)C(=O)[C@@H]2C[C@H]1C2(C)C 238448456 344807252 /nfs/dbraw/zinc/80/72/52/344807252.db2.gz IQOJZTAWQHLCIX-OOJXKGFFSA-N 0 0 168.236 1.228 10 0 ADAERN C[C@H]1CC(=O)CC(C)(C)N1N=O 238451046 344807253 /nfs/dbraw/zinc/80/72/53/344807253.db2.gz CRJYVXFRSIPJNK-LURJTMIESA-N 0 0 170.212 1.500 10 0 ADAERN Cc1cc(N)cnc1OC(F)(F)F 238454617 344807441 /nfs/dbraw/zinc/80/74/41/344807441.db2.gz DIOFESKLJZJDMX-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1ccc(C)c(CNC(N)=S)c1 238453694 344807462 /nfs/dbraw/zinc/80/74/62/344807462.db2.gz CLSQGJKANKYRHN-UHFFFAOYSA-N 0 0 194.303 1.637 10 0 ADAERN Cc1cc(N)nc(OC(F)(F)F)c1 238456545 344807467 /nfs/dbraw/zinc/80/74/67/344807467.db2.gz JCXCNWOYOLLXOP-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1c([C@H](C)O)sc2nccn12 238453812 344807531 /nfs/dbraw/zinc/80/75/31/344807531.db2.gz NWVJJPPHTWLLDF-LURJTMIESA-N 0 0 182.248 1.758 10 0 ADAERN Cc1ccc(O)c(OC(F)(F)F)n1 238456974 344807533 /nfs/dbraw/zinc/80/75/33/344807533.db2.gz YSYXRMRBFNCLQF-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN CC(=O)N1c2ccccc2NC[C@H]1C 238458149 344807551 /nfs/dbraw/zinc/80/75/51/344807551.db2.gz AADUPVWONUPICI-MRVPVSSYSA-N 0 0 190.246 1.854 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@]2(CNC(=O)C2)C1 238454351 344807553 /nfs/dbraw/zinc/80/75/53/344807553.db2.gz XDPNKLRAPUFFCL-JZYVYDRUSA-N 0 0 181.279 1.949 10 0 ADAERN C[Si](C)(C)c1ccc(/C=C/CO)o1 238453255 344807555 /nfs/dbraw/zinc/80/75/55/344807555.db2.gz CPUDLNBSJCWZNV-SNAWJCMRSA-N 0 0 196.322 1.830 10 0 ADAERN Cc1c(-c2ccncc2)n[nH]c1CO 238457971 344807571 /nfs/dbraw/zinc/80/75/71/344807571.db2.gz HTXAGBCQAFTDQN-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN Cc1ccc(OC(F)(F)F)nc1N 238463893 344807721 /nfs/dbraw/zinc/80/77/21/344807721.db2.gz GAZLBGBCPZXRGQ-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1[nH]nc(C(F)(F)F)c1CO 238464442 344807736 /nfs/dbraw/zinc/80/77/36/344807736.db2.gz NTGGDBBIWZYNDG-UHFFFAOYSA-N 0 0 180.129 1.229 10 0 ADAERN C[C@H](Cc1ccccc1)[NH+]1CC(O)C1 238462916 344807743 /nfs/dbraw/zinc/80/77/43/344807743.db2.gz WEGYCTNTCXVCDS-SNVBAGLBSA-N 0 0 191.274 1.294 10 0 ADAERN Cc1occc1[C@H]1CNC(=O)C1 238464360 344807763 /nfs/dbraw/zinc/80/77/63/344807763.db2.gz GPCJEMNRSVMKGM-SSDOTTSWSA-N 0 0 165.192 1.192 10 0 ADAERN C[C@@H]1CCCC[C@@]12OC[C@@H](CO)O2 238462463 344807782 /nfs/dbraw/zinc/80/77/82/344807782.db2.gz SESFVARAGWRFQR-BBBLOLIVSA-N 0 0 186.251 1.301 10 0 ADAERN Cc1ccc(OC(F)(F)F)c(=O)[nH]1 238463179 344807837 /nfs/dbraw/zinc/80/78/37/344807837.db2.gz HRSNDDQFRLMFHD-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1c(Cl)cc(F)cc1C(N)=O 238465043 344807840 /nfs/dbraw/zinc/80/78/40/344807840.db2.gz XTWDTENDMSHPGM-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN C[C@@H]1C[C@H]2CCC(=O)[C@@H]12 238463150 344807866 /nfs/dbraw/zinc/80/78/66/344807866.db2.gz JRVKKSUVNIDTRJ-JKMUOGBPSA-N 0 0 124.183 1.622 10 0 ADAERN C[C@@H]1c2ccccc2C(=O)[C@H]1[NH3+] 238463890 344807884 /nfs/dbraw/zinc/80/78/84/344807884.db2.gz UDUPLCVHYOVVFU-MUWHJKNJSA-N 0 0 161.204 1.314 10 0 ADAERN Cc1ccc(C=O)c(F)n1 238462165 344807905 /nfs/dbraw/zinc/80/79/05/344807905.db2.gz BPJXJDYNYSYYCB-UHFFFAOYSA-N 0 0 139.129 1.342 10 0 ADAERN Cc1cc(C=O)cc(O)c1C 238463257 344807906 /nfs/dbraw/zinc/80/79/06/344807906.db2.gz BYDDPJSNQOFWSB-UHFFFAOYSA-N 0 0 150.177 1.822 10 0 ADAERN Cc1occc1[C@@H]1CNC(=O)C1 238464001 344807914 /nfs/dbraw/zinc/80/79/14/344807914.db2.gz GPCJEMNRSVMKGM-ZETCQYMHSA-N 0 0 165.192 1.192 10 0 ADAERN C[C@@H]1CCCC[C@@]1(C)NC=O 238460976 344807961 /nfs/dbraw/zinc/80/79/61/344807961.db2.gz CIBXKBSSZADKJX-RKDXNWHRSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H]1CC(CNC(N)=O)C[C@H](C)C1 238465148 344807967 /nfs/dbraw/zinc/80/79/67/344807967.db2.gz MJYVHTVBKWQTQT-HTQZYQBOSA-N 0 0 184.283 1.727 10 0 ADAERN C[C@@H]1C[C@@H]2C(=O)CC[C@H]21 238464864 344807984 /nfs/dbraw/zinc/80/79/84/344807984.db2.gz LFFHYMMJLNEHLM-VQVTYTSYSA-N 0 0 124.183 1.622 10 0 ADAERN Cc1ccc(C=C=C(CO)CO)cc1 238461924 344807986 /nfs/dbraw/zinc/80/79/86/344807986.db2.gz UAEZWIOWJIZHLY-UHFFFAOYSA-N 0 0 190.242 1.518 10 0 ADAERN Cc1ccc(=O)[nH]c1OC(F)(F)F 238461658 344807988 /nfs/dbraw/zinc/80/79/88/344807988.db2.gz QZNOMOMVXXMVDS-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN C[C@]1(c2ccccc2)CC(=O)CO1 238467549 344808121 /nfs/dbraw/zinc/80/81/21/344808121.db2.gz FCIPHTYBQUCTSM-LLVKDONJSA-N 0 0 176.215 1.891 10 0 ADAERN Cc1ncc(F)nc1C 238477769 344808276 /nfs/dbraw/zinc/80/82/76/344808276.db2.gz AIOVDUNSFMJEAS-UHFFFAOYSA-N 0 0 126.134 1.233 10 0 ADAERN C[C@]1(CO)C=C1[Si](C)(C)C 238478606 344808323 /nfs/dbraw/zinc/80/83/23/344808323.db2.gz ZKPCZNAFTPCGGF-MRVPVSSYSA-N 0 0 156.301 1.802 10 0 ADAERN Cc1[nH]c2c(c1C)C(=O)CCC2=O 238477036 344808358 /nfs/dbraw/zinc/80/83/58/344808358.db2.gz AWXHWWXHSZIXIB-UHFFFAOYSA-N 0 0 177.203 1.791 10 0 ADAERN Cc1ccnc(OC(F)(F)F)c1O 238472702 344808390 /nfs/dbraw/zinc/80/83/90/344808390.db2.gz XTLLRHAUQWNQNX-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1ccnc2[nH]c(Cl)nc12 238474331 344808432 /nfs/dbraw/zinc/80/84/32/344808432.db2.gz BBKUWMAHMLQTGK-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN Cc1cc(=O)cc(OC(F)(F)F)[nH]1 238479209 344808509 /nfs/dbraw/zinc/80/85/09/344808509.db2.gz QCPFWMRZUROKPX-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1ccc(Cl)c(CC(N)=O)c1 238479620 344808722 /nfs/dbraw/zinc/80/87/22/344808722.db2.gz XXZUGXKCEFKYKX-UHFFFAOYSA-N 0 0 183.638 1.676 10 0 ADAERN Cc1nc(C(C)(C)C)ncc1CO 238486278 344808907 /nfs/dbraw/zinc/80/89/07/344808907.db2.gz SAGGEUWTBOZORC-UHFFFAOYSA-N 0 0 180.251 1.575 10 0 ADAERN Cc1cn(C)c2c1NC(=O)CCC2 238490300 344808913 /nfs/dbraw/zinc/80/89/13/344808913.db2.gz AFSWRPUFKDITML-UHFFFAOYSA-N 0 0 178.235 1.608 10 0 ADAERN Cc1nccc(CO)c1Cl 238490048 344808917 /nfs/dbraw/zinc/80/89/17/344808917.db2.gz KRSGAEPZVSZIBF-UHFFFAOYSA-N 0 0 157.600 1.536 10 0 ADAERN Cc1cc(CO)cc(F)n1 238489012 344808920 /nfs/dbraw/zinc/80/89/20/344808920.db2.gz RYOXZVSWZVRDLX-UHFFFAOYSA-N 0 0 141.145 1.021 10 0 ADAERN Cc1ccccc1[C@@H]1CCC(=O)N1 238489920 344808923 /nfs/dbraw/zinc/80/89/23/344808923.db2.gz TWHSDYRKQLDXAD-JTQLQIEISA-N 0 0 175.231 1.946 10 0 ADAERN Cc1ccsc1[C@H]1COCC(=O)N1 238488170 344808943 /nfs/dbraw/zinc/80/89/43/344808943.db2.gz XVOUOVXICFHIKA-SSDOTTSWSA-N 0 0 197.259 1.244 10 0 ADAERN Cc1cc(O)cnc1OC(F)(F)F 238486447 344808946 /nfs/dbraw/zinc/80/89/46/344808946.db2.gz GSKCFOLZCTYSJX-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1ncc(OC(F)(F)F)cc1N 238485350 344808947 /nfs/dbraw/zinc/80/89/47/344808947.db2.gz DNYUJIFVJMHOTN-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1nccc(F)c1F 238490462 344808954 /nfs/dbraw/zinc/80/89/54/344808954.db2.gz OHICYGNQYMRRBK-UHFFFAOYSA-N 0 0 129.109 1.668 10 0 ADAERN Cc1nccc(CO)c1F 238490073 344808985 /nfs/dbraw/zinc/80/89/85/344808985.db2.gz ODPYYHNOVKCGHM-UHFFFAOYSA-N 0 0 141.145 1.021 10 0 ADAERN CC(=O)NC1=CCCC[C@@H]1C 238486651 344809004 /nfs/dbraw/zinc/80/90/04/344809004.db2.gz MWXLELPOUYGBAV-ZETCQYMHSA-N 0 0 153.225 1.826 10 0 ADAERN Cc1c(F)ccc(F)c1CO 238488422 344809022 /nfs/dbraw/zinc/80/90/22/344809022.db2.gz OCZYDODOEGTRPB-UHFFFAOYSA-N 0 0 158.147 1.766 10 0 ADAERN Cc1[nH]c(=S)[nH]c(=O)c1C1CC1 238487381 344809040 /nfs/dbraw/zinc/80/90/40/344809040.db2.gz BNZIQAZLWXTBKL-UHFFFAOYSA-N 0 0 182.248 1.618 10 0 ADAERN Cc1nccc(C=O)c1F 238488984 344809042 /nfs/dbraw/zinc/80/90/42/344809042.db2.gz ZCOKEVXZBJFJAH-UHFFFAOYSA-N 0 0 139.129 1.342 10 0 ADAERN Cc1cnc2[nH]c(Cl)nc2c1 238489133 344809043 /nfs/dbraw/zinc/80/90/43/344809043.db2.gz XAXMRTQZRHDPDP-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN C[C@H]1OC(=O)N[C@H]1c1ccc(F)cc1 238488179 344809094 /nfs/dbraw/zinc/80/90/94/344809094.db2.gz HNFJNKXFUYOSGY-HZGVNTEJSA-N 0 0 195.193 1.995 10 0 ADAERN Cc1ncc(OC(F)(F)F)cc1O 238485388 344809114 /nfs/dbraw/zinc/80/91/14/344809114.db2.gz KSBHCDLCJHOMDW-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cc(OC(F)(F)F)c(N)cn1 238493336 344809253 /nfs/dbraw/zinc/80/92/53/344809253.db2.gz BEFCCIQFXYPBIW-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@]([NH3+])(C(=O)[O-])C1 238495118 344809285 /nfs/dbraw/zinc/80/92/85/344809285.db2.gz DIEAEQSZOILNRE-SRSLHRDFSA-N 0 0 171.240 1.225 10 0 ADAERN Cc1[nH]ccc(=O)c1F 238491146 344809292 /nfs/dbraw/zinc/80/92/92/344809292.db2.gz LHIQLPQLHRUPTF-UHFFFAOYSA-N 0 0 127.118 1.235 10 0 ADAERN Cc1nccc(OC(F)(F)F)c1O 238491816 344809295 /nfs/dbraw/zinc/80/92/95/344809295.db2.gz FDQMFOWEECZBQG-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1nccc(OC(F)(F)F)c1N 238491751 344809299 /nfs/dbraw/zinc/80/92/99/344809299.db2.gz DBFOZWDVHIPGJT-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN CC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 238492505 344809303 /nfs/dbraw/zinc/80/93/03/344809303.db2.gz PGYUIEIQCMHRGN-ARDNSNSESA-N 0 0 142.198 1.389 10 0 ADAERN Cc1cc(OC(F)(F)F)c[nH]c1=O 238495593 344809314 /nfs/dbraw/zinc/80/93/14/344809314.db2.gz RQAVESFQZXJHQW-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1ccccc1[C@H]1CCC(=O)N1 238495290 344809327 /nfs/dbraw/zinc/80/93/27/344809327.db2.gz TWHSDYRKQLDXAD-SNVBAGLBSA-N 0 0 175.231 1.946 10 0 ADAERN C[C@@]1(O)COc2ccccc2C1=O 238496566 344809348 /nfs/dbraw/zinc/80/93/48/344809348.db2.gz CYPTVRVQDISABX-SNVBAGLBSA-N 0 0 178.187 1.013 10 0 ADAERN Cc1[nH]ccc(=O)c1OC(F)(F)F 238491225 344809350 /nfs/dbraw/zinc/80/93/50/344809350.db2.gz FYFBBOYGRDANKO-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cc(OC(F)(F)F)cnc1N 238495530 344809416 /nfs/dbraw/zinc/80/94/16/344809416.db2.gz OXZCHRZSHWMOFV-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN C[C@@]1(CO)C=C1[Si](C)(C)C 238493000 344809423 /nfs/dbraw/zinc/80/94/23/344809423.db2.gz ZKPCZNAFTPCGGF-QMMMGPOBSA-N 0 0 156.301 1.802 10 0 ADAERN Cc1ccccc1[C@H]1CC(=O)N1CO 238495144 344809425 /nfs/dbraw/zinc/80/94/25/344809425.db2.gz FOSXYFYMZWMECD-SNVBAGLBSA-N 0 0 191.230 1.218 10 0 ADAERN Cc1cc(OC(F)(F)F)c(O)cn1 238493567 344809434 /nfs/dbraw/zinc/80/94/34/344809434.db2.gz RSPLHZZPBQUJKA-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cc(=O)c2nccc(C)c2[nH]1 238494373 344809454 /nfs/dbraw/zinc/80/94/54/344809454.db2.gz DELSRXAHPZSBDN-UHFFFAOYSA-N 0 0 174.203 1.952 10 0 ADAERN Cc1cc(CO)ncc1Cl 238491024 344809495 /nfs/dbraw/zinc/80/94/95/344809495.db2.gz XPLZQEAYFREPEU-UHFFFAOYSA-N 0 0 157.600 1.536 10 0 ADAERN Cc1cc(OC(F)(F)F)cc(=O)[nH]1 238494890 344809514 /nfs/dbraw/zinc/80/95/14/344809514.db2.gz HFOUIXYXMVMIID-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cnc2[nH]c(=S)[nH]c2c1 238492102 344809519 /nfs/dbraw/zinc/80/95/19/344809519.db2.gz NYMPVMFFFBBKCK-UHFFFAOYSA-N 0 0 165.221 1.555 10 0 ADAERN Cc1nccnc1OC(F)F 238501179 344809711 /nfs/dbraw/zinc/80/97/11/344809711.db2.gz FYNCMVXUYWGZFD-UHFFFAOYSA-N 0 0 160.123 1.386 10 0 ADAERN CC1=Nc2ccccc2C1=O 238504234 344809681 /nfs/dbraw/zinc/80/96/81/344809681.db2.gz PYYYWUYAKYUBKK-UHFFFAOYSA-N 0 0 145.161 1.975 10 0 ADAERN Cc1cc(C(F)(F)F)nn1CO 238496760 344809694 /nfs/dbraw/zinc/80/96/94/344809694.db2.gz ZYEHHPGKHYUMDL-UHFFFAOYSA-N 0 0 180.129 1.160 10 0 ADAERN Clc1nnc(-c2cnccn2)o1 238499474 344809697 /nfs/dbraw/zinc/80/96/97/344809697.db2.gz XWADBCUBIZHHEJ-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN Cc1nc2cc(N)nn2c(C)c1C 238497963 344809804 /nfs/dbraw/zinc/80/98/04/344809804.db2.gz JHXDOZLLXBEXID-UHFFFAOYSA-N 0 0 176.223 1.237 10 0 ADAERN Cc1ccc(Cn2cccn2)cc1N 238498548 344809815 /nfs/dbraw/zinc/80/98/15/344809815.db2.gz QTGXPXNLWSVEBF-UHFFFAOYSA-N 0 0 187.246 1.822 10 0 ADAERN Cc1nc(C2CC2)ncc1CO 238512842 344810018 /nfs/dbraw/zinc/81/00/18/344810018.db2.gz XLIRXFNATYYQDK-UHFFFAOYSA-N 0 0 164.208 1.155 10 0 ADAERN Cc1[nH]nc(-c2ccccn2)c1C=O 238507019 344810035 /nfs/dbraw/zinc/81/00/35/344810035.db2.gz LPZXLJPVIYLEEV-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN Cc1ccc(N)c2c1C(=O)CCO2 238510559 344810043 /nfs/dbraw/zinc/81/00/43/344810043.db2.gz LLUHRQZCSYINBV-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN Cc1ccc2[nH]c(C(N)=O)c(C)c2c1 238508430 344810045 /nfs/dbraw/zinc/81/00/45/344810045.db2.gz QRIMZKXHLVIPKN-UHFFFAOYSA-N 0 0 188.230 1.884 10 0 ADAERN C=Cc1cnc(Cl)cn1 238510357 344810051 /nfs/dbraw/zinc/81/00/51/344810051.db2.gz LLLAHBIQMZOFDN-UHFFFAOYSA-N 0 0 140.573 1.773 10 0 ADAERN O=C1C[C@H](c2ccncc2Cl)CN1 238513102 344810057 /nfs/dbraw/zinc/81/00/57/344810057.db2.gz SBUZPMIKAVRFSD-LURJTMIESA-N 0 0 196.637 1.339 10 0 ADAERN Cc1nc(C)c([C@H]2CO2)s1 238510846 344810065 /nfs/dbraw/zinc/81/00/65/344810065.db2.gz ZBFBJAZQJVHNSG-ZCFIWIBFSA-N 0 0 155.222 1.831 10 0 ADAERN Cc1nc(C)c([C@@H]2CO2)s1 238510724 344810076 /nfs/dbraw/zinc/81/00/76/344810076.db2.gz ZBFBJAZQJVHNSG-LURJTMIESA-N 0 0 155.222 1.831 10 0 ADAERN Cc1nc(C)c([C@H]2CNC(=O)C2)s1 238510818 344810092 /nfs/dbraw/zinc/81/00/92/344810092.db2.gz FTUYFKXVAFRSSB-SSDOTTSWSA-N 0 0 196.275 1.363 10 0 ADAERN Cc1nc(C)c(C(=N)NO)s1 238509958 344810098 /nfs/dbraw/zinc/81/00/98/344810098.db2.gz NUDIWZAQDHLPEG-UHFFFAOYSA-N 0 0 171.225 1.064 10 0 ADAERN Cc1ccc2[nH]c(=S)[nH]c2n1 238510065 344810123 /nfs/dbraw/zinc/81/01/23/344810123.db2.gz MEALJJQKPYBOEP-UHFFFAOYSA-N 0 0 165.221 1.555 10 0 ADAERN Cc1nc(C)c([C@@H]2CNC(=O)C2)s1 238510689 344810133 /nfs/dbraw/zinc/81/01/33/344810133.db2.gz FTUYFKXVAFRSSB-ZETCQYMHSA-N 0 0 196.275 1.363 10 0 ADAERN Cc1ccc(N)c(OC(F)(F)F)n1 238509504 344810138 /nfs/dbraw/zinc/81/01/38/344810138.db2.gz IOQFPYJNVGSXED-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1ccc(N)nc1OC(F)(F)F 238514988 344810141 /nfs/dbraw/zinc/81/01/41/344810141.db2.gz DFSFONPOUMLLKH-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1ccccc1[C@H]1CNC(=O)[C@H]1C 238514371 344810201 /nfs/dbraw/zinc/81/02/01/344810201.db2.gz QLSDMEFZWVJTMP-ONGXEEELSA-N 0 0 189.258 1.845 10 0 ADAERN O=C1CC[C@H]2[C@@H]1C2(Cl)Cl 238516456 344810422 /nfs/dbraw/zinc/81/04/22/344810422.db2.gz FZPNZXJETAMAEC-UCORVYFPSA-N 0 0 165.019 1.769 10 0 ADAERN Cc1cnc(CC(F)(F)F)nc1N 238517273 344810567 /nfs/dbraw/zinc/81/05/67/344810567.db2.gz MSXNOZZQQXZHIF-UHFFFAOYSA-N 0 0 191.156 1.472 10 0 ADAERN Cc1c(N)cncc1C(F)(F)F 238526494 344810730 /nfs/dbraw/zinc/81/07/30/344810730.db2.gz HAFLDHKAMQQOPE-UHFFFAOYSA-N 0 0 176.141 1.991 10 0 ADAERN O=Cc1nc(OC(F)F)ccc1F 238527468 344810735 /nfs/dbraw/zinc/81/07/35/344810735.db2.gz RILGIZIZILEGIU-UHFFFAOYSA-N 0 0 191.108 1.635 10 0 ADAERN Cc1cc(C(N)=S)sn1 238524692 344810749 /nfs/dbraw/zinc/81/07/49/344810749.db2.gz SZMMEKJOAUBETF-UHFFFAOYSA-N 0 0 158.251 1.086 10 0 ADAERN Cc1ccc([C@@H]2COCC(=O)N2)s1 238523348 344810772 /nfs/dbraw/zinc/81/07/72/344810772.db2.gz FTAHCRFAUKINGA-ZETCQYMHSA-N 0 0 197.259 1.244 10 0 ADAERN Cc1c(N)cncc1OC(F)(F)F 238526542 344810791 /nfs/dbraw/zinc/81/07/91/344810791.db2.gz DGEOWZKZQLXDHZ-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN FC(F)Oc1cc[nH]c1 238526186 344810804 /nfs/dbraw/zinc/81/08/04/344810804.db2.gz ZUIZKYHHVYNANN-UHFFFAOYSA-N 0 0 133.097 1.616 10 0 ADAERN Cc1c(N)ccnc1OC(F)(F)F 238525598 344810809 /nfs/dbraw/zinc/81/08/09/344810809.db2.gz BYMRPWRLXJPPQO-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN C[Si](C)(C)CCc1nnc[nH]1 238525333 344810817 /nfs/dbraw/zinc/81/08/17/344810817.db2.gz KLAJWHAOIQXJBL-UHFFFAOYSA-N 0 0 169.304 1.685 10 0 ADAERN Cc1cc(F)c(C(N)=O)cc1Cl 238523569 344810844 /nfs/dbraw/zinc/81/08/44/344810844.db2.gz HXAIHJXGOGAMGD-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN Cc1nc(C2CCOCC2)cc(=O)[nH]1 238526481 344810896 /nfs/dbraw/zinc/81/08/96/344810896.db2.gz PVTCTASKJAZNFM-UHFFFAOYSA-N 0 0 194.234 1.385 10 0 ADAERN O=Cc1cc(OC(F)F)ncc1F 238524899 344810929 /nfs/dbraw/zinc/81/09/29/344810929.db2.gz BQWQSZAYWUNSMN-UHFFFAOYSA-N 0 0 191.108 1.635 10 0 ADAERN Cn1cnc(N)c1-c1ccccc1 238526424 344810952 /nfs/dbraw/zinc/81/09/52/344810952.db2.gz RUBQDKXIQYTPDK-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cc1cccc(F)c1C(N)=S 238526615 344810963 /nfs/dbraw/zinc/81/09/63/344810963.db2.gz HRINLBKWEKCNTC-UHFFFAOYSA-N 0 0 169.224 1.768 10 0 ADAERN Cc1cnc(F)cc1F 238526638 344810977 /nfs/dbraw/zinc/81/09/77/344810977.db2.gz NTDAVBRSYRUXLV-UHFFFAOYSA-N 0 0 129.109 1.668 10 0 ADAERN Cc1cc(F)cc(CO)c1F 238527851 344810987 /nfs/dbraw/zinc/81/09/87/344810987.db2.gz GLPOCILQGHLOIJ-UHFFFAOYSA-N 0 0 158.147 1.766 10 0 ADAERN Cn1cncc1-c1ccc(C=O)s1 238532151 344811065 /nfs/dbraw/zinc/81/10/65/344811065.db2.gz YFZUDJJFERPZBK-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN O=Cc1cc(F)cnc1OC(F)F 238532621 344811104 /nfs/dbraw/zinc/81/11/04/344811104.db2.gz DAMDIZNSJUGKHD-UHFFFAOYSA-N 0 0 191.108 1.635 10 0 ADAERN FC(F)Oc1ncc(Cl)cn1 238532590 344811184 /nfs/dbraw/zinc/81/11/84/344811184.db2.gz ITXMDDWROTYREF-UHFFFAOYSA-N 0 0 180.541 1.731 10 0 ADAERN FC(F)Oc1cnc(Cl)cn1 238531833 344811215 /nfs/dbraw/zinc/81/12/15/344811215.db2.gz PCPLFPAASKFVDL-UHFFFAOYSA-N 0 0 180.541 1.731 10 0 ADAERN Cc1ccc(Br)[nH]c1=O 238530821 344811219 /nfs/dbraw/zinc/81/12/19/344811219.db2.gz HBQXIKRAXALHQE-UHFFFAOYSA-N 0 0 188.024 1.446 10 0 ADAERN FC(F)Oc1ccc[nH]1 238528505 344811237 /nfs/dbraw/zinc/81/12/37/344811237.db2.gz MZRSIJSOGPICLV-UHFFFAOYSA-N 0 0 133.097 1.616 10 0 ADAERN Cc1cnc(N)c(OC(F)(F)F)c1 238530967 344811315 /nfs/dbraw/zinc/81/13/15/344811315.db2.gz ZKYMIXPHGHWUDI-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN FC(F)Oc1ncncc1Cl 238533042 344811332 /nfs/dbraw/zinc/81/13/32/344811332.db2.gz YJSISJDAPSOMBM-UHFFFAOYSA-N 0 0 180.541 1.731 10 0 ADAERN Cc1nocc1-c1csc(N)n1 238532424 344811342 /nfs/dbraw/zinc/81/13/42/344811342.db2.gz MTSLEQYRYDIDAS-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN O=Cc1ccc(F)c(OC(F)F)n1 238532240 344811381 /nfs/dbraw/zinc/81/13/81/344811381.db2.gz IOWMLPRLGHZXMA-UHFFFAOYSA-N 0 0 191.108 1.635 10 0 ADAERN O=C1NCCNc2cc(Cl)ccc21 238529486 344811388 /nfs/dbraw/zinc/81/13/88/344811388.db2.gz WRULRLLHZGDFEE-UHFFFAOYSA-N 0 0 196.637 1.495 10 0 ADAERN Cn1cncc1-c1ccc(C=O)o1 238532130 344811401 /nfs/dbraw/zinc/81/14/01/344811401.db2.gz NPRWGYCHHMDTDI-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN FC(F)Oc1cncnc1Cl 238532179 344811407 /nfs/dbraw/zinc/81/14/07/344811407.db2.gz HMSBCOYXBPNYKV-UHFFFAOYSA-N 0 0 180.541 1.731 10 0 ADAERN NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 238538572 344811467 /nfs/dbraw/zinc/81/14/67/344811467.db2.gz HWRDXCIYVPJEDS-NKWVEPMBSA-N 0 0 197.184 1.554 10 0 ADAERN O=Cc1cc(OC(F)(F)F)ccn1 238537753 344811489 /nfs/dbraw/zinc/81/14/89/344811489.db2.gz WSYNIALDPKFCCC-UHFFFAOYSA-N 0 0 191.108 1.793 10 0 ADAERN Cc1cnc(OC(F)(F)F)c(N)c1 238535841 344811497 /nfs/dbraw/zinc/81/14/97/344811497.db2.gz MQMGSORBOGLATB-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cn1c(=S)[nH]c2ccc(N)cc21 238539318 344811501 /nfs/dbraw/zinc/81/15/01/344811501.db2.gz FXWKDNVAMYJYQK-UHFFFAOYSA-N 0 0 179.248 1.444 10 0 ADAERN O=Cc1cccc(OC(F)(F)F)n1 238535939 344811518 /nfs/dbraw/zinc/81/15/18/344811518.db2.gz JYTWNAMOXYYADL-UHFFFAOYSA-N 0 0 191.108 1.793 10 0 ADAERN Cc1c[nH]c(=O)c(OC(F)(F)F)c1 238534273 344811524 /nfs/dbraw/zinc/81/15/24/344811524.db2.gz DQTZJNOINPQMKP-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1nc2c(s1)NC(=O)CCC2 238539173 344811565 /nfs/dbraw/zinc/81/15/65/344811565.db2.gz VWZBCNJCAVOXBT-UHFFFAOYSA-N 0 0 182.248 1.726 10 0 ADAERN Cc1cnc(OC(F)(F)F)cc1N 238536422 344811573 /nfs/dbraw/zinc/81/15/73/344811573.db2.gz GABOUGKDAHAIGK-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1c[nH]c(OC(F)(F)F)cc1=O 238536463 344811599 /nfs/dbraw/zinc/81/15/99/344811599.db2.gz NIDUWMHPZFXHAL-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cnc(OC(F)(F)F)c(O)c1 238535884 344811615 /nfs/dbraw/zinc/81/16/15/344811615.db2.gz XTPSWEAOHKPZAS-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1nc(F)ccc1F 238539386 344811745 /nfs/dbraw/zinc/81/17/45/344811745.db2.gz XJCFNRPOVUQDRD-UHFFFAOYSA-N 0 0 129.109 1.668 10 0 ADAERN c1ccc(Nc2cn[nH]c2)nc1 238541179 344811965 /nfs/dbraw/zinc/81/19/65/344811965.db2.gz SNXPFJDTPZHLPP-UHFFFAOYSA-N 0 0 160.180 1.548 10 0 ADAERN Cc1cncc(N)c1Br 238542123 344811995 /nfs/dbraw/zinc/81/19/95/344811995.db2.gz ZYRSQDGLNLJYBO-UHFFFAOYSA-N 0 0 187.040 1.735 10 0 ADAERN O=C1COc2cc(F)c(F)cc21 238542657 344812020 /nfs/dbraw/zinc/81/20/20/344812020.db2.gz RNJFWXLONCRBQW-UHFFFAOYSA-N 0 0 170.114 1.540 10 0 ADAERN Cc1c[nH]cc(OC(F)(F)F)c1=O 238542888 344812056 /nfs/dbraw/zinc/81/20/56/344812056.db2.gz FFUJLALJFBGVMC-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1c(OC(F)(F)F)[nH]ccc1=O 238543910 344812079 /nfs/dbraw/zinc/81/20/79/344812079.db2.gz FQJXWLQGCZMQFB-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1cncc(N)c1OC(F)(F)F 238542281 344812091 /nfs/dbraw/zinc/81/20/91/344812091.db2.gz MKKGMSWZSXFDCN-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1cncc(OC(F)F)n1 238542922 344812120 /nfs/dbraw/zinc/81/21/20/344812120.db2.gz CZQWGPLILNBXKX-UHFFFAOYSA-N 0 0 160.123 1.386 10 0 ADAERN Clc1cc([C@H]2CCCO2)ncn1 238550357 344812319 /nfs/dbraw/zinc/81/23/19/344812319.db2.gz BREBYRPSXRSKLI-SSDOTTSWSA-N 0 0 184.626 1.982 10 0 ADAERN O=Cc1cccnc1OC(F)(F)F 238550082 344812362 /nfs/dbraw/zinc/81/23/62/344812362.db2.gz YJSBDYNLBXPXEN-UHFFFAOYSA-N 0 0 191.108 1.793 10 0 ADAERN Clc1ccnc(OC2CC2)n1 238554083 344812475 /nfs/dbraw/zinc/81/24/75/344812475.db2.gz HXEXSBVSQJZNBF-UHFFFAOYSA-N 0 0 170.599 1.671 10 0 ADAERN Clc1cc([C@@H]2CCCO2)ncn1 238548511 344812446 /nfs/dbraw/zinc/81/24/46/344812446.db2.gz BREBYRPSXRSKLI-ZETCQYMHSA-N 0 0 184.626 1.982 10 0 ADAERN Cc1cc(C)cc(CNC(N)=S)c1 238548555 344812448 /nfs/dbraw/zinc/81/24/48/344812448.db2.gz FACRFGRTTKUFOQ-UHFFFAOYSA-N 0 0 194.303 1.637 10 0 ADAERN Clc1cn2c(Cl)nnc2cn1 238554912 344812489 /nfs/dbraw/zinc/81/24/89/344812489.db2.gz CHIIJTYJLAIMHV-UHFFFAOYSA-N 0 0 189.005 1.431 10 0 ADAERN Cc1coc(C(F)(F)F)cc1=O 238548734 344812509 /nfs/dbraw/zinc/81/25/09/344812509.db2.gz VCWRTZQQHXDMRR-UHFFFAOYSA-N 0 0 178.109 1.967 10 0 ADAERN NC(=O)c1cccc2c1C(=O)CCC2 238554183 344812553 /nfs/dbraw/zinc/81/25/53/344812553.db2.gz VBACXJFCTDPNOR-UHFFFAOYSA-N 0 0 189.214 1.305 10 0 ADAERN Cc1nc(N)ccc1OC(F)(F)F 238550540 344812651 /nfs/dbraw/zinc/81/26/51/344812651.db2.gz KGIZIZNDRWYOJB-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cn1ncnc1C(=O)C(C)(C)C 238552883 344812656 /nfs/dbraw/zinc/81/26/56/344812656.db2.gz CQUAZRCGPILHEF-UHFFFAOYSA-N 0 0 167.212 1.044 10 0 ADAERN Cc1ccc([C@H]2COCC(=O)N2)s1 238548426 344812671 /nfs/dbraw/zinc/81/26/71/344812671.db2.gz FTAHCRFAUKINGA-SSDOTTSWSA-N 0 0 197.259 1.244 10 0 ADAERN Fc1cnc2c(Cl)ncnc2c1 238550832 344812689 /nfs/dbraw/zinc/81/26/89/344812689.db2.gz GFFVTDMIMOFOJZ-UHFFFAOYSA-N 0 0 183.573 1.817 10 0 ADAERN Cc1c(OC(F)(F)F)cc[nH]c1=O 238548021 344812701 /nfs/dbraw/zinc/81/27/01/344812701.db2.gz VSYZYYWLWJVGNT-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN O=Cc1ccncc1C(F)F 238560568 344812771 /nfs/dbraw/zinc/81/27/71/344812771.db2.gz OQNDGYRQHATLAW-UHFFFAOYSA-N 0 0 157.119 1.832 10 0 ADAERN Cc1ccc(-c2ccn(C)n2)c(N)n1 238560085 344812797 /nfs/dbraw/zinc/81/27/97/344812797.db2.gz YKELJYJJCXBCSC-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1c[nH]c([C@H](O)C(F)(F)F)n1 238555242 344812815 /nfs/dbraw/zinc/81/28/15/344812815.db2.gz GBHJJZVDIGLQBM-BYPYZUCNSA-N 0 0 180.129 1.314 10 0 ADAERN Clc1cnc2c(Cl)nnn2c1 238558784 344812837 /nfs/dbraw/zinc/81/28/37/344812837.db2.gz INSIMKBRIQGBSJ-UHFFFAOYSA-N 0 0 189.005 1.431 10 0 ADAERN Cc1c[nH]c([C@@H](O)C(F)(F)F)n1 238555077 344812874 /nfs/dbraw/zinc/81/28/74/344812874.db2.gz GBHJJZVDIGLQBM-SCSAIBSYSA-N 0 0 180.129 1.314 10 0 ADAERN Cc1cc(N)c(NCCO)cc1C 238560886 344812963 /nfs/dbraw/zinc/81/29/63/344812963.db2.gz SBVNBPDFVBGUIC-UHFFFAOYSA-N 0 0 180.251 1.290 10 0 ADAERN O=c1[nH]c2ccc(Cl)c(F)c2[nH]1 238558996 344812989 /nfs/dbraw/zinc/81/29/89/344812989.db2.gz BGAJXFPKVKHETJ-UHFFFAOYSA-N 0 0 186.573 1.649 10 0 ADAERN O=C1CC=C(C(F)(F)F)C=CN1 238555378 344813031 /nfs/dbraw/zinc/81/30/31/344813031.db2.gz OIBNIUAEHCVGNT-UHFFFAOYSA-N 0 0 177.125 1.509 10 0 ADAERN Cc1[nH]c(=O)ccc1OC(F)(F)F 238560200 344813038 /nfs/dbraw/zinc/81/30/38/344813038.db2.gz YQGXXGRYLUYDDH-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Nc1c(F)ccnc1OC(F)(F)F 238570368 344813280 /nfs/dbraw/zinc/81/32/80/344813280.db2.gz SDEVDOZJVGEJDY-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Cc1nc([C@H](O)C(F)(F)F)[nH]c1C 238568049 344813345 /nfs/dbraw/zinc/81/33/45/344813345.db2.gz VPUDJNSHDWNQFS-YFKPBYRVSA-N 0 0 194.156 1.622 10 0 ADAERN Nc1c(F)ccc2c1OCCC2=O 238568111 344813353 /nfs/dbraw/zinc/81/33/53/344813353.db2.gz LQXSZPSEEPBXKF-UHFFFAOYSA-N 0 0 181.166 1.373 10 0 ADAERN Nc1c(Cl)ncnc1-c1ccco1 238562748 344813371 /nfs/dbraw/zinc/81/33/71/344813371.db2.gz UFVNCXBNOALFDX-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN Cc1nc(OC(F)(F)F)ccc1O 238563659 344813385 /nfs/dbraw/zinc/81/33/85/344813385.db2.gz LHUDSIQIZSKUPK-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1nc(OC(F)(F)F)ccc1N 238563610 344813419 /nfs/dbraw/zinc/81/34/19/344813419.db2.gz DCDHGTZPDYLNOU-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 238564016 344813425 /nfs/dbraw/zinc/81/34/25/344813425.db2.gz HWRDXCIYVPJEDS-RQJHMYQMSA-N 0 0 197.184 1.554 10 0 ADAERN NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 238564997 344813447 /nfs/dbraw/zinc/81/34/47/344813447.db2.gz HWRDXCIYVPJEDS-BQBZGAKWSA-N 0 0 197.184 1.554 10 0 ADAERN Nc1c(F)cncc1OC(F)(F)F 238571376 344813473 /nfs/dbraw/zinc/81/34/73/344813473.db2.gz WWVWQMQJZHDKLO-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1c(C(F)F)ccnc1F 238573072 344813738 /nfs/dbraw/zinc/81/37/38/344813738.db2.gz CYWBFQLQAHMTGQ-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Clc1ncnc(OC2CCC2)n1 238574530 344813804 /nfs/dbraw/zinc/81/38/04/344813804.db2.gz PHIUCMNVXYXEKP-UHFFFAOYSA-N 0 0 185.614 1.456 10 0 ADAERN [NH3+][C@@H](CF)c1ccc(O)c(C(=O)[O-])c1 238574360 344813850 /nfs/dbraw/zinc/81/38/50/344813850.db2.gz HBTBDZVRTQEQOY-ZETCQYMHSA-N 0 0 199.181 1.060 10 0 ADAERN Clc1ncnc(C2CCC2)n1 238574201 344813871 /nfs/dbraw/zinc/81/38/71/344813871.db2.gz OFZQUMDTUQNFCR-UHFFFAOYSA-N 0 0 169.615 1.793 10 0 ADAERN Nc1c(OC(F)(F)F)ccnc1F 238573098 344813882 /nfs/dbraw/zinc/81/38/82/344813882.db2.gz JWWLJZZCLLPLNF-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Clc1ncnc(-c2ccoc2)n1 238574727 344813905 /nfs/dbraw/zinc/81/39/05/344813905.db2.gz SCOPEPCFJJADJZ-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN [NH3+][C@@H](CF)c1ccc(C(=O)[O-])cc1 238573664 344813923 /nfs/dbraw/zinc/81/39/23/344813923.db2.gz YXLZAEXPSKMOFT-QMMMGPOBSA-N 0 0 183.182 1.354 10 0 ADAERN NC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 238576188 344813961 /nfs/dbraw/zinc/81/39/61/344813961.db2.gz PTZGVVIFDFCRSD-BQKDNTBBSA-N 0 0 194.278 1.576 10 0 ADAERN Clc1ncnc(-c2ccco2)n1 238574700 344813977 /nfs/dbraw/zinc/81/39/77/344813977.db2.gz CKGGLZNUXZBVON-UHFFFAOYSA-N 0 0 181.582 1.785 10 0 ADAERN NC(=O)c1c(F)cc(F)c(F)c1F 238582406 344814253 /nfs/dbraw/zinc/81/42/53/344814253.db2.gz OAULEHACBJOIRU-UHFFFAOYSA-N 0 0 193.099 1.342 10 0 ADAERN Nc1cncc(-c2cscn2)c1 238582150 344814292 /nfs/dbraw/zinc/81/42/92/344814292.db2.gz CYGWLBXLXBSXIF-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnc(C(F)F)c(F)c1 238579992 344814313 /nfs/dbraw/zinc/81/43/13/344814313.db2.gz SHSBLOUUBAJMTR-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1ccc(C(F)F)c(=O)[nH]1 238582133 344814319 /nfs/dbraw/zinc/81/43/19/344814319.db2.gz QJBRUPYJFCONRG-UHFFFAOYSA-N 0 0 160.123 1.307 10 0 ADAERN Nc1ccc(C(F)F)nc1F 238582644 344814320 /nfs/dbraw/zinc/81/43/20/344814320.db2.gz HYSOSLOJDXFYBK-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN O=C1CCC[C@@H](C[C@@H]2CCCC2=O)N1 238589071 344814503 /nfs/dbraw/zinc/81/45/03/344814503.db2.gz WIDSJEIBUMLWJP-IUCAKERBSA-N 0 0 195.262 1.414 10 0 ADAERN O=C1CCC[C@H](C[C@@H]2CCCC2=O)N1 238591821 344814526 /nfs/dbraw/zinc/81/45/26/344814526.db2.gz WIDSJEIBUMLWJP-DTWKUNHWSA-N 0 0 195.262 1.414 10 0 ADAERN Nc1cnc(F)cc1C(F)F 238590691 344814529 /nfs/dbraw/zinc/81/45/29/344814529.db2.gz NYNFZUHXVBBEQB-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN O=C1CCC[C@@H]1c1ccc[nH]1 238585917 344814545 /nfs/dbraw/zinc/81/45/45/344814545.db2.gz KFMQUJQBJQYYFX-SSDOTTSWSA-N 0 0 149.193 1.851 10 0 ADAERN Nc1csc([C@H]2CCCCO2)n1 238585546 344814555 /nfs/dbraw/zinc/81/45/55/344814555.db2.gz DUYKQAIXUWPUDZ-ZCFIWIBFSA-N 0 0 184.264 1.967 10 0 ADAERN Nc1cnc(F)cc1OC(F)(F)F 238590863 344814590 /nfs/dbraw/zinc/81/45/90/344814590.db2.gz XSFPHGQLILFMGQ-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1csc([C@@H]2CCCCO2)n1 238585465 344814592 /nfs/dbraw/zinc/81/45/92/344814592.db2.gz DUYKQAIXUWPUDZ-LURJTMIESA-N 0 0 184.264 1.967 10 0 ADAERN Nc1cnc(F)c(OC(F)(F)F)c1 238590574 344814601 /nfs/dbraw/zinc/81/46/01/344814601.db2.gz SHVBJWYKTZTTMZ-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1nc(C(=O)C2CC2)cs1 238588405 344814609 /nfs/dbraw/zinc/81/46/09/344814609.db2.gz XAKRTDDVVPGXFL-UHFFFAOYSA-N 0 0 168.221 1.318 10 0 ADAERN Nc1c(O)cccc1OC(F)(F)F 238586455 344814612 /nfs/dbraw/zinc/81/46/12/344814612.db2.gz FZZDDADEORQVDZ-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN NNc1cccc(OC2CCC2)c1 238587331 344814629 /nfs/dbraw/zinc/81/46/29/344814629.db2.gz XGOYFJLDWCSURC-UHFFFAOYSA-N 0 0 178.235 1.904 10 0 ADAERN Nc1ccc(Cl)c2c1C(=O)CCO2 238590916 344814638 /nfs/dbraw/zinc/81/46/38/344814638.db2.gz MLSGBPRBNWNBOF-UHFFFAOYSA-N 0 0 197.621 1.887 10 0 ADAERN NC(=S)c1[nH]c(=S)sc1N 238587012 344814643 /nfs/dbraw/zinc/81/46/43/344814643.db2.gz MQLMTPLHQRWPED-UHFFFAOYSA-N 0 0 191.306 1.022 10 0 ADAERN NC(=S)c1cccc(O)c1Cl 238590297 344814649 /nfs/dbraw/zinc/81/46/49/344814649.db2.gz FVLMETUFTJQKGD-UHFFFAOYSA-N 0 0 187.651 1.680 10 0 ADAERN O=C1CCC[C@@H](C[C@H]2CCCC2=O)N1 238589146 344814657 /nfs/dbraw/zinc/81/46/57/344814657.db2.gz WIDSJEIBUMLWJP-BDAKNGLRSA-N 0 0 195.262 1.414 10 0 ADAERN Nc1c(OC(F)(F)F)cc[nH]c1=O 238591299 344814674 /nfs/dbraw/zinc/81/46/74/344814674.db2.gz GAXXLJFJQZGWLG-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O=C1CCC[C@H]1c1ccc[nH]1 238588449 344814686 /nfs/dbraw/zinc/81/46/86/344814686.db2.gz KFMQUJQBJQYYFX-ZETCQYMHSA-N 0 0 149.193 1.851 10 0 ADAERN Nc1c(OC(F)(F)F)[nH]ccc1=O 238586625 344814739 /nfs/dbraw/zinc/81/47/39/344814739.db2.gz JGNFZCHRNUTVNQ-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1ccc(Cl)c2c1OCCC2=O 238590560 344814747 /nfs/dbraw/zinc/81/47/47/344814747.db2.gz ZXOMRNIJBGAYKJ-UHFFFAOYSA-N 0 0 197.621 1.887 10 0 ADAERN Nc1cnc(F)c(C(F)F)c1 238589704 344814751 /nfs/dbraw/zinc/81/47/51/344814751.db2.gz WCNYQULTUAHGBB-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Fc1cncc(OC(F)(F)F)n1 238586140 344814759 /nfs/dbraw/zinc/81/47/59/344814759.db2.gz QWGVZNYYLITSPR-UHFFFAOYSA-N 0 0 182.076 1.514 10 0 ADAERN NC(=S)/C=C/c1ccccn1 238586850 344814763 /nfs/dbraw/zinc/81/47/63/344814763.db2.gz GISBPOLMELJPCU-SNAWJCMRSA-N 0 0 164.233 1.381 10 0 ADAERN O=C1CCC[C@H](C[C@H]2CCCC2=O)N1 238591882 344814769 /nfs/dbraw/zinc/81/47/69/344814769.db2.gz WIDSJEIBUMLWJP-RKDXNWHRSA-N 0 0 195.262 1.414 10 0 ADAERN NC(=O)N[C@@H]1CC2CCC1CC2 238593039 344814816 /nfs/dbraw/zinc/81/48/16/344814816.db2.gz KINMKMQHMWIQOM-KAVNDROISA-N 0 0 168.240 1.233 10 0 ADAERN Nc1cnc(OC(F)(F)F)c(F)c1 238597368 344814819 /nfs/dbraw/zinc/81/48/19/344814819.db2.gz ZMYOTCCMOWEUAL-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Fc1nc(Cl)nc2[nH]cnc12 238592095 344814827 /nfs/dbraw/zinc/81/48/27/344814827.db2.gz JIFWWRLWSMVPPS-UHFFFAOYSA-N 0 0 172.550 1.145 10 0 ADAERN Nc1cnc(OC(F)(F)F)c(O)c1 238598016 344814844 /nfs/dbraw/zinc/81/48/44/344814844.db2.gz ICHSOUFRNIKQRL-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1ccc(F)nc1C(F)F 238600146 344814871 /nfs/dbraw/zinc/81/48/71/344814871.db2.gz GJCPMSFRAGUQOW-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1c[nH]c(=O)cc1OC(F)(F)F 238596462 344814876 /nfs/dbraw/zinc/81/48/76/344814876.db2.gz CBTUQMKFTIDKAP-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O=C1CCN([C@H]2C=CCC2)CC1 238596441 344814897 /nfs/dbraw/zinc/81/48/97/344814897.db2.gz WIPCDEWYUPNTNN-VIFPVBQESA-N 0 0 165.236 1.370 10 0 ADAERN Nc1ccc(F)c(C(F)F)n1 238595212 344814927 /nfs/dbraw/zinc/81/49/27/344814927.db2.gz MILXNEJKBSDOTA-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1c[nH]c(OC(F)(F)F)cc1=O 238598601 344814940 /nfs/dbraw/zinc/81/49/40/344814940.db2.gz QGRQHXYIZXEKNO-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1cnc(OC(F)(F)F)cc1F 238598459 344814949 /nfs/dbraw/zinc/81/49/49/344814949.db2.gz BRIYUSZXOUGCCS-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1cnc(OC(F)(F)F)c(N)c1 238597576 344814988 /nfs/dbraw/zinc/81/49/88/344814988.db2.gz CMSIGZDRGZZGHA-UHFFFAOYSA-N 0 0 193.128 1.145 10 0 ADAERN Nc1ccc(F)c(OC(F)(F)F)n1 238596008 344814993 /nfs/dbraw/zinc/81/49/93/344814993.db2.gz VTWZPDKCRXJXGN-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1ccc(F)c2c1C(=O)CCC2 238596373 344815007 /nfs/dbraw/zinc/81/50/07/344815007.db2.gz HPZXPESYEUGPFU-UHFFFAOYSA-N 0 0 179.194 1.927 10 0 ADAERN Nc1cnc(OC(F)(F)F)cc1N 238598528 344815017 /nfs/dbraw/zinc/81/50/17/344815017.db2.gz XOEYXOWNLKKWAH-UHFFFAOYSA-N 0 0 193.128 1.145 10 0 ADAERN O=C1CCN([C@@H]2C=CCC2)CC1 238596472 344815022 /nfs/dbraw/zinc/81/50/22/344815022.db2.gz WIPCDEWYUPNTNN-SECBINFHSA-N 0 0 165.236 1.370 10 0 ADAERN Nc1c[nH]c(=O)c(OC(F)(F)F)c1 238596320 344815036 /nfs/dbraw/zinc/81/50/36/344815036.db2.gz UQVWZPFGIBZNRT-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1cnc(N)c(OC(F)(F)F)c1 238594635 344815048 /nfs/dbraw/zinc/81/50/48/344815048.db2.gz PPEZLFKSMGYUMV-UHFFFAOYSA-N 0 0 193.128 1.145 10 0 ADAERN NC(=O)N[C@H]1CC2CCC1CC2 238596425 344815056 /nfs/dbraw/zinc/81/50/56/344815056.db2.gz KINMKMQHMWIQOM-RRQHEKLDSA-N 0 0 168.240 1.233 10 0 ADAERN Nc1ccc(F)nc1OC(F)(F)F 238600183 344815067 /nfs/dbraw/zinc/81/50/67/344815067.db2.gz DBWBXTUCRFSAES-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Fc1nccnc1OC(F)(F)F 238603765 344815285 /nfs/dbraw/zinc/81/52/85/344815285.db2.gz LPCUHEOTDMRDBM-UHFFFAOYSA-N 0 0 182.076 1.514 10 0 ADAERN Nc1cncc(C(F)F)c1F 238604968 344815318 /nfs/dbraw/zinc/81/53/18/344815318.db2.gz OVGRCSBMJVTNQV-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1ccc(O)c(OC(F)(F)F)n1 238605857 344815319 /nfs/dbraw/zinc/81/53/19/344815319.db2.gz QQLFOIGINSLXER-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1ccc(-c2ncccc2N)cc1 238606791 344815329 /nfs/dbraw/zinc/81/53/29/344815329.db2.gz RSUSMPMBPVDGIA-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1cncc(N)c1OC(F)(F)F 238606251 344815330 /nfs/dbraw/zinc/81/53/30/344815330.db2.gz VPTYYXPWUCUUFT-UHFFFAOYSA-N 0 0 193.128 1.145 10 0 ADAERN Nc1nc2cc(Cl)nnc2s1 238608399 344815335 /nfs/dbraw/zinc/81/53/35/344815335.db2.gz MOWMJLGNSRQGLN-UHFFFAOYSA-N 0 0 186.627 1.322 10 0 ADAERN Nc1ccc(=O)[nH]c1OC(F)(F)F 238608465 344815347 /nfs/dbraw/zinc/81/53/47/344815347.db2.gz QHTQBYWMOLLQHY-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1ccc(N)c(OC(F)(F)F)n1 238604031 344815372 /nfs/dbraw/zinc/81/53/72/344815372.db2.gz PDVHGJQIZZZYSX-UHFFFAOYSA-N 0 0 193.128 1.145 10 0 ADAERN Nc1cncc(OC(F)(F)F)c1F 238606889 344815421 /nfs/dbraw/zinc/81/54/21/344815421.db2.gz IOIKHRVGDBRMAZ-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Fc1cc(F)c(=S)[nH]c1F 238601070 344815424 /nfs/dbraw/zinc/81/54/24/344815424.db2.gz FVILJZZUIHGQFP-UHFFFAOYSA-N 0 0 165.139 1.788 10 0 ADAERN O=C1CC[C@@H](c2ccncc2)N1 238601921 344815434 /nfs/dbraw/zinc/81/54/34/344815434.db2.gz AAJFNBLOMCXHBX-QMMMGPOBSA-N 0 0 162.192 1.033 10 0 ADAERN Nc1cncc(F)c1C(F)F 238605939 344815462 /nfs/dbraw/zinc/81/54/62/344815462.db2.gz UAVKLPVOFKFTOR-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1cncc(O)c1OC(F)(F)F 238606370 344815472 /nfs/dbraw/zinc/81/54/72/344815472.db2.gz WEXQPFXAYZRYJQ-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN NC(=O)c1cc(Cl)cc(F)c1F 238605888 344815496 /nfs/dbraw/zinc/81/54/96/344815496.db2.gz JJKZREOHBDYEET-UHFFFAOYSA-N 0 0 191.564 1.717 10 0 ADAERN Nc1ccc(OCCF)nc1 238610942 344815681 /nfs/dbraw/zinc/81/56/81/344815681.db2.gz ZZJRBVXYTOHLBR-UHFFFAOYSA-N 0 0 156.160 1.012 10 0 ADAERN Nc1ccc(OC(F)(F)F)c(F)n1 238609307 344815682 /nfs/dbraw/zinc/81/56/82/344815682.db2.gz JACBCABAGUISJP-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1cnccc1-c1cscn1 238609663 344815686 /nfs/dbraw/zinc/81/56/86/344815686.db2.gz XIQULNNPOXJNCB-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN O=C1CCNc2c1ccc(F)c2F 238611473 344815687 /nfs/dbraw/zinc/81/56/87/344815687.db2.gz KVMAMHGHJXJKFO-UHFFFAOYSA-N 0 0 183.157 1.963 10 0 ADAERN Nc1cc(-c2cscn2)ccn1 238621089 344815896 /nfs/dbraw/zinc/81/58/96/344815896.db2.gz LLKKFMRRENOKGN-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccc2cccc(CO)c2c1 238620832 344815967 /nfs/dbraw/zinc/81/59/67/344815967.db2.gz GZIZRFWPPDEEOI-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN Nc1ccc2ccc(CO)cc2c1 238620309 344815973 /nfs/dbraw/zinc/81/59/73/344815973.db2.gz AVYLXDRVIRWKFT-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 238622063 344815977 /nfs/dbraw/zinc/81/59/77/344815977.db2.gz HWRDXCIYVPJEDS-RNFRBKRXSA-N 0 0 197.184 1.554 10 0 ADAERN O=C1CO[C@H](c2ccco2)C1 238623425 344816029 /nfs/dbraw/zinc/81/60/29/344816029.db2.gz RYNVSTSSVDHWHD-QMMMGPOBSA-N 0 0 152.149 1.310 10 0 ADAERN O=C1CO[C@@H](c2ccco2)C1 238622906 344816043 /nfs/dbraw/zinc/81/60/43/344816043.db2.gz RYNVSTSSVDHWHD-MRVPVSSYSA-N 0 0 152.149 1.310 10 0 ADAERN Nc1ccc2c(CO)cccc2c1 238618026 344816125 /nfs/dbraw/zinc/81/61/25/344816125.db2.gz AEKJNBJPQKDNDN-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN O=c1[nH]ccc2ccc(F)c(F)c12 238622128 344816134 /nfs/dbraw/zinc/81/61/34/344816134.db2.gz YMNHAJFCPWYVSG-UHFFFAOYSA-N 0 0 181.141 1.806 10 0 ADAERN Nc1cc(C(F)(F)F)cnc1CO 238617433 344816157 /nfs/dbraw/zinc/81/61/57/344816157.db2.gz HSVCSLXDTBTCIO-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN Nc1cccc([C@@H]2CCC(=O)C2)n1 238631675 344816238 /nfs/dbraw/zinc/81/62/38/344816238.db2.gz AHKSSUYVMFMSNP-SSDOTTSWSA-N 0 0 176.219 1.500 10 0 ADAERN O=C(/C=C/CO)Oc1ccccc1 238629023 344816256 /nfs/dbraw/zinc/81/62/56/344816256.db2.gz IQYDCWAOTGGTPE-QPJJXVBHSA-N 0 0 178.187 1.141 10 0 ADAERN [NH3+]Cc1ccc(-c2cn[nH]c2)o1 238626256 344816270 /nfs/dbraw/zinc/81/62/70/344816270.db2.gz OZXLKHJMVCJCIK-UHFFFAOYSA-N 0 0 163.180 1.128 10 0 ADAERN O=Cc1nc(F)ccc1Cl 238632458 344816281 /nfs/dbraw/zinc/81/62/81/344816281.db2.gz XLOAXNFYSUIGSU-UHFFFAOYSA-N 0 0 159.547 1.687 10 0 ADAERN Nc1nnc(Oc2ccccc2)s1 238631378 344816323 /nfs/dbraw/zinc/81/63/23/344816323.db2.gz GPRRVVAZLSAIGD-UHFFFAOYSA-N 0 0 193.231 1.913 10 0 ADAERN Nc1cccc2c1C(=O)CCN2 238631885 344816331 /nfs/dbraw/zinc/81/63/31/344816331.db2.gz ZOJKUKGSBWSGRH-UHFFFAOYSA-N 0 0 162.192 1.267 10 0 ADAERN Nc1nnc(OC2CCCCC2)s1 238631338 344816358 /nfs/dbraw/zinc/81/63/58/344816358.db2.gz DJGNEKIKVYQHSH-UHFFFAOYSA-N 0 0 199.279 1.832 10 0 ADAERN OC1C=CCCCC=C1 238643384 344816677 /nfs/dbraw/zinc/81/66/77/344816677.db2.gz PPRPZHSMBWRSIO-UHFFFAOYSA-N 0 0 124.183 1.644 10 0 ADAERN O=C1C[C@@H](CC2CCCC2)CN1 238625838 344816386 /nfs/dbraw/zinc/81/63/86/344816386.db2.gz CLVFRARUASPALB-SECBINFHSA-N 0 0 167.252 1.703 10 0 ADAERN [NH3+]Cc1ccc(-c2cn[nH]c2)s1 238626285 344816485 /nfs/dbraw/zinc/81/64/85/344816485.db2.gz KFEHNOBCCNLOJM-UHFFFAOYSA-N 0 0 179.248 1.597 10 0 ADAERN Nc1cccc(O)c1OC(F)(F)F 238627168 344816530 /nfs/dbraw/zinc/81/65/30/344816530.db2.gz QATLKLYZQIXTLB-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN Nc1ncnc(NCC2CCCC2)n1 238625694 344816547 /nfs/dbraw/zinc/81/65/47/344816547.db2.gz ZVUIPFBXSRACMK-UHFFFAOYSA-N 0 0 193.254 1.056 10 0 ADAERN Nc1cccc2ccc(CO)cc12 238635403 344816668 /nfs/dbraw/zinc/81/66/68/344816668.db2.gz RUUQZQZISIKQNO-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN Nc1cc(C(F)F)cc(F)n1 238634945 344816669 /nfs/dbraw/zinc/81/66/69/344816669.db2.gz KUPKELVUURZSQM-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN O=CNc1ccc2c(c1)CCCO2 238636432 344816671 /nfs/dbraw/zinc/81/66/71/344816671.db2.gz PDKGTJMDISEJBG-UHFFFAOYSA-N 0 0 177.203 1.580 10 0 ADAERN O=Cc1cccc(/C=C/CO)c1 238634490 344816749 /nfs/dbraw/zinc/81/67/49/344816749.db2.gz KQCCIVINRRAAHU-GORDUTHDSA-N 0 0 162.188 1.505 10 0 ADAERN Nc1ccc(C2=NC(=O)CS2)cc1 238636923 344816765 /nfs/dbraw/zinc/81/67/65/344816765.db2.gz MRUZPHKUWBVBAL-UHFFFAOYSA-N 0 0 192.243 1.289 10 0 ADAERN Nc1cccc(-c2ccccc2N)n1 238636401 344816794 /nfs/dbraw/zinc/81/67/94/344816794.db2.gz NLTISVQRJSZXLS-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Nc1cccc2cc(CO)ccc12 238634989 344816807 /nfs/dbraw/zinc/81/68/07/344816807.db2.gz UICYMJKCRVWVGS-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN Nc1cc(C=O)c(F)cc1F 238649123 344817028 /nfs/dbraw/zinc/81/70/28/344817028.db2.gz OZPXNGPDPGCDTC-UHFFFAOYSA-N 0 0 157.119 1.360 10 0 ADAERN Nc1ccc(N2CCC(F)(F)C2)cn1 238647602 344817038 /nfs/dbraw/zinc/81/70/38/344817038.db2.gz DRRNXQCEATWZML-UHFFFAOYSA-N 0 0 199.204 1.509 10 0 ADAERN Nc1cccnc1-c1cscn1 238655119 344817047 /nfs/dbraw/zinc/81/70/47/344817047.db2.gz QBSUVAQJELJCCL-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1ccnc([C@@H]2CCCCO2)n1 238647574 344817128 /nfs/dbraw/zinc/81/71/28/344817128.db2.gz XFKGWDFWQFMAQI-ZETCQYMHSA-N 0 0 179.223 1.300 10 0 ADAERN Nc1cnc([C@@H]2CCCCO2)nc1 238654190 344817152 /nfs/dbraw/zinc/81/71/52/344817152.db2.gz RROZYWUHXKWYJM-QMMMGPOBSA-N 0 0 179.223 1.300 10 0 ADAERN Nc1ccnc(F)c1OC(F)(F)F 238658798 344817429 /nfs/dbraw/zinc/81/74/29/344817429.db2.gz PKDOYLXBVFBCDE-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1nc(F)ccc1C(F)F 238656290 344817432 /nfs/dbraw/zinc/81/74/32/344817432.db2.gz ZPYVXFONAHPLKV-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN O=C1CC2CC(=O)CC2C1 238658863 344817452 /nfs/dbraw/zinc/81/74/52/344817452.db2.gz ADCHZJCEGXPTQM-PHDIDXHHSA-N 0 0 138.166 1.427 10 0 ADAERN O=C1CC2CC(=O)CC2C1 238658844 344817492 /nfs/dbraw/zinc/81/74/92/344817492.db2.gz ADCHZJCEGXPTQM-RITPCOANSA-N 0 0 138.166 1.427 10 0 ADAERN O=C1CC2CC(=O)CC2C1 238659165 344817479 /nfs/dbraw/zinc/81/74/79/344817479.db2.gz ADCHZJCEGXPTQM-WDSKDSINSA-N 0 0 138.166 1.427 10 0 ADAERN Nc1nc(F)ccc1OC(F)(F)F 238656332 344817484 /nfs/dbraw/zinc/81/74/84/344817484.db2.gz SVYZSCALFMGDFB-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1cc[nH]c(=O)c1OC(F)(F)F 238659203 344817506 /nfs/dbraw/zinc/81/75/06/344817506.db2.gz ZKIUBFJOUWEWHD-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1ccnc(F)c1C(F)F 238658698 344817515 /nfs/dbraw/zinc/81/75/15/344817515.db2.gz LETSRRZVXQWWGQ-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN N[C@H]1N=Nc2cc(F)ccc21 238659116 344817527 /nfs/dbraw/zinc/81/75/27/344817527.db2.gz PRTFXZFLCKZRLF-ZETCQYMHSA-N 0 0 151.144 1.880 10 0 ADAERN OC[C@@H]1C[C@H](O)c2ccccc21 238659307 344817532 /nfs/dbraw/zinc/81/75/32/344817532.db2.gz HXKIPBHZOYZRHX-XVKPBYJWSA-N 0 0 164.204 1.200 10 0 ADAERN O=C1CC2CC(=O)CC2C1 238659185 344817541 /nfs/dbraw/zinc/81/75/41/344817541.db2.gz ADCHZJCEGXPTQM-NTSWFWBYSA-N 0 0 138.166 1.427 10 0 ADAERN OCC[C@@H]1CNc2ccccc2C1 238664549 344817612 /nfs/dbraw/zinc/81/76/12/344817612.db2.gz VRNNZGIQKROQLY-VIFPVBQESA-N 0 0 177.247 1.653 10 0 ADAERN O=c1[nH]cc(O)c2cc(O)ccc12 238668104 344817627 /nfs/dbraw/zinc/81/76/27/344817627.db2.gz DBNKTMFSWQGAPB-UHFFFAOYSA-N 0 0 177.159 1.352 10 0 ADAERN Nc1cc(CO)cc2ccccc12 238665158 344817689 /nfs/dbraw/zinc/81/76/89/344817689.db2.gz ZNWWGMBPBPZPMU-UHFFFAOYSA-N 0 0 173.215 1.914 10 0 ADAERN Oc1cnc(F)cc1OC(F)(F)F 238666233 344817692 /nfs/dbraw/zinc/81/76/92/344817692.db2.gz BEUNLMQOZGITTM-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Nc1[nH]c(=O)ccc1OC(F)(F)F 238668236 344817707 /nfs/dbraw/zinc/81/77/07/344817707.db2.gz IQDAZVYREGRVJE-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN OCc1ncccc1OC(F)(F)F 238667450 344817710 /nfs/dbraw/zinc/81/77/10/344817710.db2.gz QGQXFVRVIIQLDN-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN Nc1nc(OC(F)(F)F)ccc1F 238669802 344817724 /nfs/dbraw/zinc/81/77/24/344817724.db2.gz XXCZNCMSWJDNAR-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN N[C@@H]1N=Nc2cc(F)ccc21 238664833 344817728 /nfs/dbraw/zinc/81/77/28/344817728.db2.gz PRTFXZFLCKZRLF-SSDOTTSWSA-N 0 0 151.144 1.880 10 0 ADAERN O=CC1CCC(=O)CC1 238669136 344817761 /nfs/dbraw/zinc/81/77/61/344817761.db2.gz ZZNGKOYDTUVIKM-UHFFFAOYSA-N 0 0 126.155 1.571 10 0 ADAERN O=Cc1cc2ccc(O)cc2cn1 238668817 344817769 /nfs/dbraw/zinc/81/77/69/344817769.db2.gz OKUPRGCGWAIHOB-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN Nc1cc[nH+]cc1-c1cscn1 238663718 344817787 /nfs/dbraw/zinc/81/77/87/344817787.db2.gz TYXYVXCCKWHEBO-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1nc(OC(F)(F)F)ccc1O 238669914 344817807 /nfs/dbraw/zinc/81/78/07/344817807.db2.gz SGKTZTXZUCTHLE-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O[C@H]1CCCC12CCC2 238665196 344817832 /nfs/dbraw/zinc/81/78/32/344817832.db2.gz KWQHTHKUFJTZLP-ZETCQYMHSA-N 0 0 126.199 1.702 10 0 ADAERN O=C1C=C(OC(F)(F)F)C(=O)NC1 238669857 344817840 /nfs/dbraw/zinc/81/78/40/344817840.db2.gz WTNGOGZLCMTMCH-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN O=c1[nH]cc(O)c2ccc(O)cc12 238668062 344817852 /nfs/dbraw/zinc/81/78/52/344817852.db2.gz LMFVAJQNBNQKCD-UHFFFAOYSA-N 0 0 177.159 1.352 10 0 ADAERN Oc1cnc(F)c(OC(F)(F)F)c1 238665899 344817873 /nfs/dbraw/zinc/81/78/73/344817873.db2.gz VUTHBDHGHAAHFQ-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Nc1cc(CO)c(F)cc1F 238664293 344817884 /nfs/dbraw/zinc/81/78/84/344817884.db2.gz OZMUSTWNSKIVQV-UHFFFAOYSA-N 0 0 159.135 1.039 10 0 ADAERN O=c1c(O)c[nH]cc1OC(F)(F)F 238674882 344818052 /nfs/dbraw/zinc/81/80/52/344818052.db2.gz YZKTYWBEIGPFRZ-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN Oc1cnc(OC(F)(F)F)c(O)c1 238670729 344818055 /nfs/dbraw/zinc/81/80/55/344818055.db2.gz GXIHQNHNWOZFRO-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN [NH3+]Cc1cc(OC(F)(F)F)ccn1 238675286 344818056 /nfs/dbraw/zinc/81/80/56/344818056.db2.gz XSXCXYSRRJMWPR-UHFFFAOYSA-N 0 0 192.140 1.439 10 0 ADAERN Oc1cnc(OC(F)(F)F)cc1F 238671111 344818154 /nfs/dbraw/zinc/81/81/54/344818154.db2.gz FMCKYGHWLCVMLY-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Oc1cncc(F)c1OC(F)(F)F 238674181 344818178 /nfs/dbraw/zinc/81/81/78/344818178.db2.gz LEHAKOWZAZPNFU-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=c1cnc(OC(F)(F)F)c[nH]1 238671257 344818181 /nfs/dbraw/zinc/81/81/81/344818181.db2.gz JSDUJJZYALXNBG-UHFFFAOYSA-N 0 0 180.085 1.081 10 0 ADAERN OC[C@@H]1CCC(c2ccccc2)=N1 238676748 344818187 /nfs/dbraw/zinc/81/81/87/344818187.db2.gz MRAOXYZYRMYEPV-JTQLQIEISA-N 0 0 175.231 1.630 10 0 ADAERN Oc1cnc(OC(F)(F)F)c(F)c1 238670479 344818205 /nfs/dbraw/zinc/81/82/05/344818205.db2.gz VFXRGWDSXCOHOY-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Oc1ccc2c(c1)OC=CO2 238675325 344818213 /nfs/dbraw/zinc/81/82/13/344818213.db2.gz AEGLKVRGODYQQV-UHFFFAOYSA-N 0 0 150.133 1.635 10 0 ADAERN O=c1cncc(C(F)F)[nH]1 238673314 344818242 /nfs/dbraw/zinc/81/82/42/344818242.db2.gz SDMDXRHHYNGWOY-UHFFFAOYSA-N 0 0 146.096 1.120 10 0 ADAERN OCC[C@H]1CNc2ccccc2C1 238677996 344818569 /nfs/dbraw/zinc/81/85/69/344818569.db2.gz VRNNZGIQKROQLY-SECBINFHSA-N 0 0 177.247 1.653 10 0 ADAERN N[C@@H]1C=Cc2ccccc2C1=O 238677779 344818671 /nfs/dbraw/zinc/81/86/71/344818671.db2.gz HKMQJXKOLPUCCG-SECBINFHSA-N 0 0 159.188 1.223 10 0 ADAERN Nc1cc(F)c(F)cc1-n1cccn1 238682595 344818677 /nfs/dbraw/zinc/81/86/77/344818677.db2.gz CDRICPGPIAEURG-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN [NH3+]Cc1cccc(OC(F)(F)F)n1 238685020 344818975 /nfs/dbraw/zinc/81/89/75/344818975.db2.gz YJUHFMHUDJUEKW-UHFFFAOYSA-N 0 0 192.140 1.439 10 0 ADAERN OC[C@]1(O)CCCCC12CCCC2 238691328 344819167 /nfs/dbraw/zinc/81/91/67/344819167.db2.gz VVMAEUAQKZTKKE-LLVKDONJSA-N 0 0 184.279 1.844 10 0 ADAERN Nc1cc(F)nc(C(F)F)c1 238688151 344819177 /nfs/dbraw/zinc/81/91/77/344819177.db2.gz LZDJGEPTQFNRRK-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1cc(F)ncc1C(F)F 238689218 344819241 /nfs/dbraw/zinc/81/92/41/344819241.db2.gz LCDOLKKBHASVQL-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN OCC(=C=Cc1ccccc1)CO 238691163 344819295 /nfs/dbraw/zinc/81/92/95/344819295.db2.gz DENXBSMMCQPVAF-UHFFFAOYSA-N 0 0 176.215 1.210 10 0 ADAERN Nc1cc(F)cnc1OC(F)(F)F 238687940 344819336 /nfs/dbraw/zinc/81/93/36/344819336.db2.gz FPDNNACZCQUWGO-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1cc(F)nc(C(F)(F)F)c1 238688109 344819344 /nfs/dbraw/zinc/81/93/44/344819344.db2.gz ORROUVLQJVYKFV-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN Nc1cc(F)nc(OC(F)(F)F)c1 238689062 344819376 /nfs/dbraw/zinc/81/93/76/344819376.db2.gz AVPNFLMBRJHSJM-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN OCc1ccc2cnc(Cl)nc2c1 238693214 344819391 /nfs/dbraw/zinc/81/93/91/344819391.db2.gz MYJUBXXWHGFGNP-UHFFFAOYSA-N 0 0 194.621 1.776 10 0 ADAERN Nc1cc(F)ncc1OC(F)(F)F 238689286 344819400 /nfs/dbraw/zinc/81/94/00/344819400.db2.gz XHBYSWGXLIGLNH-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN OCC(=C=CC1CCCCC1)CO 238691142 344819406 /nfs/dbraw/zinc/81/94/06/344819406.db2.gz UJWTYDTXLBTFQN-UHFFFAOYSA-N 0 0 182.263 1.633 10 0 ADAERN Nc1ncc(F)cc1OC(F)(F)F 238692263 344819418 /nfs/dbraw/zinc/81/94/18/344819418.db2.gz LNIVVDTWHMOVMQ-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN O[C@@H]1Cc2cccc3[nH]cc(c23)C1 238691302 344819422 /nfs/dbraw/zinc/81/94/22/344819422.db2.gz QWRFREJCCPEOHH-SECBINFHSA-N 0 0 173.215 1.627 10 0 ADAERN OCC(F)(CO)C1CCCCC1 238693058 344819426 /nfs/dbraw/zinc/81/94/26/344819426.db2.gz VDRJUPLMQGWJRC-UHFFFAOYSA-N 0 0 176.231 1.260 10 0 ADAERN Nc1ncc(F)cc1C(F)F 238692196 344819437 /nfs/dbraw/zinc/81/94/37/344819437.db2.gz SCASAWNTLLNICX-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN OCc1ccc(-c2cc[nH]n2)o1 238690019 344819462 /nfs/dbraw/zinc/81/94/62/344819462.db2.gz PRZZRJMCEPDZRH-UHFFFAOYSA-N 0 0 164.164 1.162 10 0 ADAERN Nc1cc(N)c(Cl)cc1O 238697296 344819511 /nfs/dbraw/zinc/81/95/11/344819511.db2.gz QLYHPXQCRCICDN-UHFFFAOYSA-N 0 0 158.588 1.210 10 0 ADAERN OC[C@@]1(O)CCCCC12CCCC2 238693684 344819538 /nfs/dbraw/zinc/81/95/38/344819538.db2.gz VVMAEUAQKZTKKE-NSHDSACASA-N 0 0 184.279 1.844 10 0 ADAERN O=c1cc(F)c(F)c[nH]1 238697309 344819541 /nfs/dbraw/zinc/81/95/41/344819541.db2.gz IVEBEMDBDYYVDK-UHFFFAOYSA-N 0 0 131.081 1.065 10 0 ADAERN OCC/C=C/c1ccc(O)cc1 238695126 344819566 /nfs/dbraw/zinc/81/95/66/344819566.db2.gz DRGGJXADCVVSIA-HNQUOIGGSA-N 0 0 164.204 1.788 10 0 ADAERN O=c1cc(F)c(OC(F)(F)F)c[nH]1 238697630 344819588 /nfs/dbraw/zinc/81/95/88/344819588.db2.gz TVXLEJJXFUHIDW-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Nc1ncc(OC(F)(F)F)cc1O 238696313 344819672 /nfs/dbraw/zinc/81/96/72/344819672.db2.gz KZGALLKQPFIGFN-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O=Cc1cnn(Cc2ccncc2)c1 238696704 344819699 /nfs/dbraw/zinc/81/96/99/344819699.db2.gz SZIMSZDIRQSJDH-UHFFFAOYSA-N 0 0 187.202 1.139 10 0 ADAERN O=Cc1cnc2c(c1)OCCS2 238695896 344819707 /nfs/dbraw/zinc/81/97/07/344819707.db2.gz BICRXPFVKWYQLV-UHFFFAOYSA-N 0 0 181.216 1.379 10 0 ADAERN O=Cc1cccc(-c2cncnc2)n1 238693839 344819721 /nfs/dbraw/zinc/81/97/21/344819721.db2.gz NKARHVXSHOFQSZ-UHFFFAOYSA-N 0 0 185.186 1.351 10 0 ADAERN O=C1CC[C@@H]2C[C@H]1CC[C@@H]2O 238696257 344819821 /nfs/dbraw/zinc/81/98/21/344819821.db2.gz FDRXGHNSOQDZAH-PRJMDXOYSA-N 0 0 154.209 1.127 10 0 ADAERN O=c1cc(O)cc(OC(F)(F)F)[nH]1 238706754 344820606 /nfs/dbraw/zinc/82/06/06/344820606.db2.gz ZSPPHIHGLYMCME-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN OCc1cnn([C@@H]2CCSC2)c1 238700357 344820160 /nfs/dbraw/zinc/82/01/60/344820160.db2.gz LCKCREINSUMKJH-MRVPVSSYSA-N 0 0 184.264 1.053 10 0 ADAERN Nc1nccc(OC(F)(F)F)c1F 238699642 344820039 /nfs/dbraw/zinc/82/00/39/344820039.db2.gz IKYNKQNWMQRBPV-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1[nH]ccc(=O)c1OC(F)(F)F 238699422 344820062 /nfs/dbraw/zinc/82/00/62/344820062.db2.gz XIWBTJFONYCVRL-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Oc1cc(F)cnc1OC(F)(F)F 238699836 344820064 /nfs/dbraw/zinc/82/00/64/344820064.db2.gz LVXDUQRQKAIJLD-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN OCc1cnc2cccnc2c1Cl 238699701 344820092 /nfs/dbraw/zinc/82/00/92/344820092.db2.gz SQWBPYCHLYWHTD-UHFFFAOYSA-N 0 0 194.621 1.776 10 0 ADAERN Nc1nccc(F)c1C(F)F 238699175 344820095 /nfs/dbraw/zinc/82/00/95/344820095.db2.gz KHNGUPJBPYASKS-UHFFFAOYSA-N 0 0 162.114 1.741 10 0 ADAERN Nc1cc(=O)c(OC(F)(F)F)c[nH]1 238700709 344820100 /nfs/dbraw/zinc/82/01/00/344820100.db2.gz VDDLDWDQJWLFPM-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN OC[C@@H](F)Cc1ccc(F)cc1 238700774 344820105 /nfs/dbraw/zinc/82/01/05/344820105.db2.gz CUUQFHDWBWXXCZ-VIFPVBQESA-N 0 0 172.174 1.699 10 0 ADAERN O=c1cc(F)cc(OC(F)(F)F)[nH]1 238698396 344820109 /nfs/dbraw/zinc/82/01/09/344820109.db2.gz BWSWAYVPNCMLFU-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=C1C[C@H]([C@H](O)c2ccccc2)CO1 238700116 344820129 /nfs/dbraw/zinc/82/01/29/344820129.db2.gz GRAQLOMEVTXYRM-GXSJLCMTSA-N 0 0 192.214 1.283 10 0 ADAERN O=C1C[C@@H]([C@H](O)c2ccccc2)CO1 238702510 344820140 /nfs/dbraw/zinc/82/01/40/344820140.db2.gz GRAQLOMEVTXYRM-MWLCHTKSSA-N 0 0 192.214 1.283 10 0 ADAERN O=c1cc(F)[nH]cc1OC(F)(F)F 238700477 344820152 /nfs/dbraw/zinc/82/01/52/344820152.db2.gz KEMQGFMZGIRHLD-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=C1CCCC[C@]1(O)C1CC1 238701634 344820156 /nfs/dbraw/zinc/82/01/56/344820156.db2.gz GSRWDKNXXXBBFK-VIFPVBQESA-N 0 0 154.209 1.271 10 0 ADAERN OCc1cnn([C@H]2CCSC2)c1 238700380 344820183 /nfs/dbraw/zinc/82/01/83/344820183.db2.gz LCKCREINSUMKJH-QMMMGPOBSA-N 0 0 184.264 1.053 10 0 ADAERN O[C@H](c1cccs1)[C@H]1CO1 238702465 344820208 /nfs/dbraw/zinc/82/02/08/344820208.db2.gz AEFVZSGRVXLOKA-VDTYLAMSSA-N 0 0 156.206 1.180 10 0 ADAERN OCc1cnn(Cc2cccs2)c1 238700275 344820237 /nfs/dbraw/zinc/82/02/37/344820237.db2.gz LFXZVTNNXWDRRO-UHFFFAOYSA-N 0 0 194.259 1.485 10 0 ADAERN O=c1[nH]c(OC(F)(F)F)ccc1F 238699246 344820230 /nfs/dbraw/zinc/82/02/30/344820230.db2.gz NGEAUNRLJNZPON-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Nc1cc(=O)cc(OC(F)(F)F)[nH]1 238700971 344820253 /nfs/dbraw/zinc/82/02/53/344820253.db2.gz SXOKUMFXNVIOIR-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1cc(O)cnc1OC(F)(F)F 238701889 344820301 /nfs/dbraw/zinc/82/03/01/344820301.db2.gz ODLKFNKLPIKIIQ-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN Nc1ncccc1-c1cscn1 238702328 344820303 /nfs/dbraw/zinc/82/03/03/344820303.db2.gz WBDMIGVCBCESDU-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1nccc(F)c1OC(F)(F)F 238699196 344820309 /nfs/dbraw/zinc/82/03/09/344820309.db2.gz ZMBQSZJQYKFJOT-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN OCc1c(F)cncc1Cl 238708766 344820503 /nfs/dbraw/zinc/82/05/03/344820503.db2.gz NAKXDAFHVWFFBE-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN Nc1cc(OC(F)(F)F)c(O)cn1 238704290 344820505 /nfs/dbraw/zinc/82/05/05/344820505.db2.gz PZGNWKKUEHYXSE-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O=c1cc(OC(F)(F)F)cc(F)[nH]1 238707500 344820518 /nfs/dbraw/zinc/82/05/18/344820518.db2.gz LHLZLANMSXXZTC-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=C1C=C(OC(F)(F)F)C(=O)CN1 238707275 344820525 /nfs/dbraw/zinc/82/05/25/344820525.db2.gz RKOTZWCFYSFORP-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN Nc1cc(OC(F)(F)F)ncc1O 238705824 344820554 /nfs/dbraw/zinc/82/05/54/344820554.db2.gz ZYCBOJQOSUYOAT-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O[C@@H](c1ccccn1)c1ccc[nH]1 238705826 344820532 /nfs/dbraw/zinc/82/05/32/344820532.db2.gz SBGLVUPIGLJSHQ-JTQLQIEISA-N 0 0 174.203 1.491 10 0 ADAERN OC[C@H](F)Cc1ccc(F)cc1 238704177 344820551 /nfs/dbraw/zinc/82/05/51/344820551.db2.gz CUUQFHDWBWXXCZ-SECBINFHSA-N 0 0 172.174 1.699 10 0 ADAERN Nc1cc(OC(F)(F)F)cc(F)n1 238704600 344820558 /nfs/dbraw/zinc/82/05/58/344820558.db2.gz GDNCEGJMQYDSQQ-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1cc(OC(F)(F)F)ncc1F 238705770 344820561 /nfs/dbraw/zinc/82/05/61/344820561.db2.gz NUJFHQRVFPBISS-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN Nc1cc(OC(F)(F)F)cc(=O)[nH]1 238704682 344820578 /nfs/dbraw/zinc/82/05/78/344820578.db2.gz KJWNFLZVSMGCNY-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O=c1[nH]cc(F)cc1OC(F)(F)F 238708300 344820590 /nfs/dbraw/zinc/82/05/90/344820590.db2.gz JXOHWXCITGMMLZ-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Nc1cc(OC(F)(F)F)[nH]c(=O)c1 238702947 344820594 /nfs/dbraw/zinc/82/05/94/344820594.db2.gz UXMQCPJWRVCREO-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN OCc1nc2cccc(F)c2s1 238702795 344820625 /nfs/dbraw/zinc/82/06/25/344820625.db2.gz RFVYRVGBRQLALV-UHFFFAOYSA-N 0 0 183.207 1.928 10 0 ADAERN Nc1cc(OC(F)(F)F)cnc1F 238705035 344820630 /nfs/dbraw/zinc/82/06/30/344820630.db2.gz CTSGSWIAKGEDOT-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN O[C@@H](c1c[nH]cn1)C(F)(F)F 238703910 344820645 /nfs/dbraw/zinc/82/06/45/344820645.db2.gz UEYYZTGTKXAZTJ-BYPYZUCNSA-N 0 0 166.102 1.005 10 0 ADAERN Nc1cc(OC(F)(F)F)c[nH]c1=O 238705088 344820655 /nfs/dbraw/zinc/82/06/55/344820655.db2.gz VPTLZPISIHCAEH-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O=C1CC(=O)C(OC(F)(F)F)=CN1 238706279 344820671 /nfs/dbraw/zinc/82/06/71/344820671.db2.gz JQBCVUMIDWKZMT-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN Nc1cc(OC(F)(F)F)c(F)cn1 238703775 344820702 /nfs/dbraw/zinc/82/07/02/344820702.db2.gz UDMIMQFSMZVEJU-UHFFFAOYSA-N 0 0 196.103 1.702 10 0 ADAERN O=c1cc(OC(F)(F)F)[nH]cc1F 238708160 344820742 /nfs/dbraw/zinc/82/07/42/344820742.db2.gz OSJXQWMUTOZASB-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=c1cc(OC(F)(F)F)c(F)c[nH]1 238707116 344820716 /nfs/dbraw/zinc/82/07/16/344820716.db2.gz GPHWJJTUUMOVFJ-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Nc1cc(=O)[nH]cc1OC(F)(F)F 238703109 344820727 /nfs/dbraw/zinc/82/07/27/344820727.db2.gz JRGWDEWQGYYFJE-UHFFFAOYSA-N 0 0 194.112 1.268 10 0 ADAERN O[C@H](CF)CCc1ccccc1 238706102 344820730 /nfs/dbraw/zinc/82/07/30/344820730.db2.gz KZOXZLWVXLXNED-JTQLQIEISA-N 0 0 168.211 1.950 10 0 ADAERN Nc1cc(OC(F)(F)F)cnc1N 238705059 344820748 /nfs/dbraw/zinc/82/07/48/344820748.db2.gz KQNNMIONIDHWIS-UHFFFAOYSA-N 0 0 193.128 1.145 10 0 ADAERN O=C1CCC/C=C\C[C@@H](CO)O1 238710835 344821046 /nfs/dbraw/zinc/82/10/46/344821046.db2.gz VPYUIGAQJZHEPW-CJKINAQCSA-N 0 0 170.208 1.021 10 0 ADAERN O=C1C[C@H]([C@@H](O)c2ccccc2)CO1 238716199 344821090 /nfs/dbraw/zinc/82/10/90/344821090.db2.gz GRAQLOMEVTXYRM-ONGXEEELSA-N 0 0 192.214 1.283 10 0 ADAERN O[C@@H]1CCCC[C@@H]2C[C@H]12 238717118 344821110 /nfs/dbraw/zinc/82/11/10/344821110.db2.gz HDHAVKJPOAAKFE-GJMOJQLCSA-N 0 0 126.199 1.557 10 0 ADAERN O=c1[nH]ccc(OC(F)(F)F)c1F 238710794 344821141 /nfs/dbraw/zinc/82/11/41/344821141.db2.gz GJFCIKHLPWBRQW-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=c1[nH]ccc(Br)c1F 238709777 344821155 /nfs/dbraw/zinc/82/11/55/344821155.db2.gz BTZFACZOCCVDIR-UHFFFAOYSA-N 0 0 191.987 1.689 10 0 ADAERN OCCOCSc1ccccc1 238710826 344821159 /nfs/dbraw/zinc/82/11/59/344821159.db2.gz HMLMKQSSFNRWCV-UHFFFAOYSA-N 0 0 184.260 1.745 10 0 ADAERN O=c1[nH]cccc1OC(F)(F)F 238711133 344821168 /nfs/dbraw/zinc/82/11/68/344821168.db2.gz XGWGLCHSNCANAO-UHFFFAOYSA-N 0 0 179.097 1.686 10 0 ADAERN O[C@H]1Cc2cccc3[nH]cc(c23)C1 238714149 344821169 /nfs/dbraw/zinc/82/11/69/344821169.db2.gz QWRFREJCCPEOHH-VIFPVBQESA-N 0 0 173.215 1.627 10 0 ADAERN OCc1cc(C(F)(F)F)cc(F)n1 238715609 344821175 /nfs/dbraw/zinc/82/11/75/344821175.db2.gz ZKLZGZXRTDFPKM-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN OCc1c[nH]nc1-c1ccoc1 238712482 344821176 /nfs/dbraw/zinc/82/11/76/344821176.db2.gz SOUCZQYNYUELKY-UHFFFAOYSA-N 0 0 164.164 1.162 10 0 ADAERN O=C1[C@H](O)CCC12CCCCC2 238709524 344821263 /nfs/dbraw/zinc/82/12/63/344821263.db2.gz DKWQGFSSDHXTEP-MRVPVSSYSA-N 0 0 168.236 1.661 10 0 ADAERN O=c1nc(C2CC2)cc(C2CC2)[nH]1 238712731 344821265 /nfs/dbraw/zinc/82/12/65/344821265.db2.gz LMEMWYXHJULLJY-UHFFFAOYSA-N 0 0 176.219 1.937 10 0 ADAERN O=c1[nH]ccc(F)c1OC(F)(F)F 238710616 344821267 /nfs/dbraw/zinc/82/12/67/344821267.db2.gz YWZCHPYLGOHEIF-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=c1[nH]c(OC(F)(F)F)ccc1O 238721296 344821501 /nfs/dbraw/zinc/82/15/01/344821501.db2.gz NUOFSMIXYCYDHT-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN O=C1C=CC(=O)C(OC(F)(F)F)N1 238720459 344821508 /nfs/dbraw/zinc/82/15/08/344821508.db2.gz GNQOXNCTFCCWEB-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN OCc1cc(F)ncc1Cl 238722147 344821530 /nfs/dbraw/zinc/82/15/30/344821530.db2.gz XFWKBQVUDULQAG-UHFFFAOYSA-N 0 0 161.563 1.366 10 0 ADAERN Oc1cc(O)c2c(c1)OCC2 238719892 344821613 /nfs/dbraw/zinc/82/16/13/344821613.db2.gz WQHRDVLXJVQJTB-UHFFFAOYSA-N 0 0 152.149 1.033 10 0 ADAERN Oc1ccc(OC(F)(F)F)nc1F 238721266 344821625 /nfs/dbraw/zinc/82/16/25/344821625.db2.gz YWGIIFXGMBNYEW-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=C1C[C@@H]([C@@H](O)c2ccccc2)CO1 238717529 344821627 /nfs/dbraw/zinc/82/16/27/344821627.db2.gz GRAQLOMEVTXYRM-KOLCDFICSA-N 0 0 192.214 1.283 10 0 ADAERN O[C@H](c1c[nH]cn1)C(F)(F)F 238718193 344821652 /nfs/dbraw/zinc/82/16/52/344821652.db2.gz UEYYZTGTKXAZTJ-SCSAIBSYSA-N 0 0 166.102 1.005 10 0 ADAERN Oc1ccc(F)nc1OC(F)(F)F 238718910 344821656 /nfs/dbraw/zinc/82/16/56/344821656.db2.gz BKKMRMIXMJAZAD-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O[C@H](c1ccccn1)c1ccc[nH]1 238719032 344821720 /nfs/dbraw/zinc/82/17/20/344821720.db2.gz SBGLVUPIGLJSHQ-SNVBAGLBSA-N 0 0 174.203 1.491 10 0 ADAERN O=c1ccc(OC(F)(F)F)c(F)[nH]1 238721047 344821732 /nfs/dbraw/zinc/82/17/32/344821732.db2.gz HUWJENFBDMCQNS-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN OCc1cc(OC(F)F)ncc1F 238724888 344821910 /nfs/dbraw/zinc/82/19/10/344821910.db2.gz VHBPPOWGJMGCGT-UHFFFAOYSA-N 0 0 193.124 1.314 10 0 ADAERN O=C1Cc2cc(Cl)ncc2N1 238724503 344821929 /nfs/dbraw/zinc/82/19/29/344821929.db2.gz LEDMORUBAWQACJ-UHFFFAOYSA-N 0 0 168.583 1.922 10 0 ADAERN O=C1[C@@H](O)CCC12CCCCC2 238724158 344821940 /nfs/dbraw/zinc/82/19/40/344821940.db2.gz DKWQGFSSDHXTEP-QMMMGPOBSA-N 0 0 168.236 1.661 10 0 ADAERN OCc1cc(OC(F)(F)F)ccn1 238724685 344821954 /nfs/dbraw/zinc/82/19/54/344821954.db2.gz IZRLAAPTEBBGPN-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN O=c1cccc(OC(F)(F)F)[nH]1 238725368 344821972 /nfs/dbraw/zinc/82/19/72/344821972.db2.gz VXEDFKKELDJDHL-UHFFFAOYSA-N 0 0 179.097 1.686 10 0 ADAERN O=Cc1cc2ccc[nH]c-2cc1=O 238725304 344821997 /nfs/dbraw/zinc/82/19/97/344821997.db2.gz UJILEOGOQUDEMB-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN OCc1cccc2c1nc1ccccn12 238727575 344822003 /nfs/dbraw/zinc/82/20/03/344822003.db2.gz BUSOBRYJXOIMHH-UHFFFAOYSA-N 0 0 198.225 1.980 10 0 ADAERN OCc1cccc(OC(F)(F)F)n1 238727218 344822030 /nfs/dbraw/zinc/82/20/30/344822030.db2.gz BADCPQBAPGODRQ-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN O=C1CCCC[C@@]1(O)C1CC1 238727133 344822031 /nfs/dbraw/zinc/82/20/31/344822031.db2.gz GSRWDKNXXXBBFK-SECBINFHSA-N 0 0 154.209 1.271 10 0 ADAERN O=Cc1cnc2cccc(O)c2c1 238726914 344822090 /nfs/dbraw/zinc/82/20/90/344822090.db2.gz QXBUYGDJBCIUBX-UHFFFAOYSA-N 0 0 173.171 1.753 10 0 ADAERN O=c1c(F)c[nH]cc1OC(F)(F)F 238724401 344822106 /nfs/dbraw/zinc/82/21/06/344822106.db2.gz WELCGJDWLCBTRT-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN Oc1c(F)ccnc1OC(F)(F)F 238724164 344822114 /nfs/dbraw/zinc/82/21/14/344822114.db2.gz ORVZNMOHTLSGEQ-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN O=CNc1c(O)cccc1F 238724628 344822122 /nfs/dbraw/zinc/82/21/22/344822122.db2.gz LXAZDPGGQLODNQ-UHFFFAOYSA-N 0 0 155.128 1.100 10 0 ADAERN OCc1cccc(OC(F)F)c1F 238727228 344822126 /nfs/dbraw/zinc/82/21/26/344822126.db2.gz ZGTXOGNTUUMNGY-UHFFFAOYSA-N 0 0 192.136 1.919 10 0 ADAERN OCc1ccc(F)cc1OC(F)F 238726368 344822135 /nfs/dbraw/zinc/82/21/35/344822135.db2.gz XJENHZGRHXRGGC-UHFFFAOYSA-N 0 0 192.136 1.919 10 0 ADAERN OCc1cc(O)ccc1C(F)(F)F 238724043 344822141 /nfs/dbraw/zinc/82/21/41/344822141.db2.gz RNVZIGSNAJEUDG-UHFFFAOYSA-N 0 0 192.136 1.903 10 0 ADAERN Oc1c(OC(F)(F)F)ccnc1F 238724817 344822146 /nfs/dbraw/zinc/82/21/46/344822146.db2.gz GASFFQPRLIBSSP-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN OCc1ccc(F)c(OC(F)F)c1 238726286 344822183 /nfs/dbraw/zinc/82/21/83/344822183.db2.gz DZBVNGYCWWYHGH-UHFFFAOYSA-N 0 0 192.136 1.919 10 0 ADAERN OCc1ccc(C(F)(F)F)c(O)c1 238725448 344822191 /nfs/dbraw/zinc/82/21/91/344822191.db2.gz CTXXFHIEVVRCTN-UHFFFAOYSA-N 0 0 192.136 1.903 10 0 ADAERN CCCC[C@@]1(C)CC(=O)NC1=O 238796250 344822262 /nfs/dbraw/zinc/82/22/62/344822262.db2.gz BSXNESATMDDRNR-VIFPVBQESA-N 0 0 169.224 1.229 10 0 ADAERN O=c1cnc(C(F)F)c[nH]1 238729699 344822266 /nfs/dbraw/zinc/82/22/66/344822266.db2.gz HMMCNOGFJWGXHJ-UHFFFAOYSA-N 0 0 146.096 1.120 10 0 ADAERN OCc1cnccc1OC(F)(F)F 238729523 344822271 /nfs/dbraw/zinc/82/22/71/344822271.db2.gz IBLNWNHTIIFJTJ-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN O=c1cc[nH]c(OC(F)(F)F)c1F 238728737 344822277 /nfs/dbraw/zinc/82/22/77/344822277.db2.gz WEHHDCFKQZKRIU-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN OCc1[nH]nc2nc(Cl)ccc12 238729856 344822295 /nfs/dbraw/zinc/82/22/95/344822295.db2.gz ZQSHJYSZLZNSER-UHFFFAOYSA-N 0 0 183.598 1.104 10 0 ADAERN CCOC(=O)[C@@H]1CC=CCC1=O 238795506 344822304 /nfs/dbraw/zinc/82/23/04/344822304.db2.gz OEURQYYIHWUXRE-SSDOTTSWSA-N 0 0 168.192 1.085 10 0 ADAERN O=C1CCc2ccc(O)c(F)c2N1 238730155 344822309 /nfs/dbraw/zinc/82/23/09/344822309.db2.gz CBEJHTLTHCBYNL-UHFFFAOYSA-N 0 0 181.166 1.416 10 0 ADAERN Oc1ccc(-c2cncs2)nc1 238729995 344822331 /nfs/dbraw/zinc/82/23/31/344822331.db2.gz TUZSQYLMJUEQDA-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN CCCC[C@@]1(C)CNC(=O)C1 238796257 344822356 /nfs/dbraw/zinc/82/23/56/344822356.db2.gz RIQGAMRZEIZCKC-SECBINFHSA-N 0 0 155.241 1.703 10 0 ADAERN O=c1cc[nH]c(OC(F)(F)F)c1O 238728743 344822366 /nfs/dbraw/zinc/82/23/66/344822366.db2.gz XLGGQYXHAZAQMN-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN CC(C)[C@@H](O)C(=O)c1ccc[nH]1 238792475 344822426 /nfs/dbraw/zinc/82/24/26/344822426.db2.gz ICOBHTYGDCKHPZ-MRVPVSSYSA-N 0 0 167.208 1.214 10 0 ADAERN OCc1ccncc1OC(F)(F)F 238728361 344822443 /nfs/dbraw/zinc/82/24/43/344822443.db2.gz ZBAXJCGCVIPDQW-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN OCc1cncc(OC(F)(F)F)c1 238729467 344822464 /nfs/dbraw/zinc/82/24/64/344822464.db2.gz RNJRZSZCMFKIPJ-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN O=C1C=CNC(=O)C1OC(F)(F)F 238728706 344822472 /nfs/dbraw/zinc/82/24/72/344822472.db2.gz LVQZIDQGHDDWKZ-UHFFFAOYSA-N 0 0 195.096 1.391 10 0 ADAERN CC(C)[C@@H](O)c1ccc(CCCO)o1 238793184 344822476 /nfs/dbraw/zinc/82/24/76/344822476.db2.gz QZHHURXESLRXCS-LLVKDONJSA-N 0 0 198.262 1.894 10 0 ADAERN OCc1cccnc1OC(F)(F)F 238727984 344822488 /nfs/dbraw/zinc/82/24/88/344822488.db2.gz KGYJHBOQQGLBJC-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN O=c1cc[nH]c(F)c1OC(F)(F)F 238728682 344822514 /nfs/dbraw/zinc/82/25/14/344822514.db2.gz JAITVNVICAQYSE-UHFFFAOYSA-N 0 0 197.087 1.825 10 0 ADAERN CCCC[C@@]12C[C@@H]1CNC2=O 238796476 344822531 /nfs/dbraw/zinc/82/25/31/344822531.db2.gz MWJLSEQKNRNBPH-VXNVDRBHSA-N 0 0 153.225 1.313 10 0 ADAERN OCc1ccnc(OC(F)(F)F)c1 238728313 344822546 /nfs/dbraw/zinc/82/25/46/344822546.db2.gz ZTADRXCLBUCKIM-UHFFFAOYSA-N 0 0 193.124 1.473 10 0 ADAERN Oc1cccnc1-c1cscn1 238728523 344822588 /nfs/dbraw/zinc/82/25/88/344822588.db2.gz RBGCOGUGPAZGLH-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN COC(=O)[C@H](O)C=C1CCCCC1 238801956 344822742 /nfs/dbraw/zinc/82/27/42/344822742.db2.gz RQDIKTPEOHXLAB-SECBINFHSA-N 0 0 184.235 1.411 10 0 ADAERN CC[C@@H](C)c1n[nH]cc1C=O 238798578 344822747 /nfs/dbraw/zinc/82/27/47/344822747.db2.gz DUWBRWKORNHTBJ-ZCFIWIBFSA-N 0 0 152.197 1.736 10 0 ADAERN CCC1=C(O)[C@H]([C@H](C)CC)NC1=O 238797019 344822835 /nfs/dbraw/zinc/82/28/35/344822835.db2.gz ILNGOKMFQZEILU-SVRRBLITSA-N 0 0 183.251 1.753 10 0 ADAERN CCC1=C(O)[C@@H]([C@H](C)CC)NC1=O 238798295 344822840 /nfs/dbraw/zinc/82/28/40/344822840.db2.gz ILNGOKMFQZEILU-HTRCEHHLSA-N 0 0 183.251 1.753 10 0 ADAERN CC[C@@H](C)[C@@H]1NC(=O)C1(C)C 238797021 344822841 /nfs/dbraw/zinc/82/28/41/344822841.db2.gz OETRWZDWPSVDKG-RQJHMYQMSA-N 0 0 155.241 1.557 10 0 ADAERN CCOC(=O)[C@]1(C)C(=O)CCC[C@H]1C 238797713 344822907 /nfs/dbraw/zinc/82/29/07/344822907.db2.gz JCUIWGIIRBLNAM-KCJUWKMLSA-N 0 0 198.262 1.945 10 0 ADAERN CC[C@@H](C)[C@H]1NC(=O)C1(C)C 238798297 344822928 /nfs/dbraw/zinc/82/29/28/344822928.db2.gz OETRWZDWPSVDKG-RNFRBKRXSA-N 0 0 155.241 1.557 10 0 ADAERN CCOC(=O)[C@]1(C)C(=O)CCC[C@@H]1C 238797705 344822950 /nfs/dbraw/zinc/82/29/50/344822950.db2.gz JCUIWGIIRBLNAM-KWQFWETISA-N 0 0 198.262 1.945 10 0 ADAERN O=C(N[C@H]1CCCOC1)C1CCC1 238822821 344823182 /nfs/dbraw/zinc/82/31/82/344823182.db2.gz DBAXOLZRPFJIAT-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN O=C(N[C@@H]1CCCOC1)C1CCC1 238822820 344823206 /nfs/dbraw/zinc/82/32/06/344823206.db2.gz DBAXOLZRPFJIAT-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN COC1CN(C(=O)[C@H]2CC=CCC2)C1 238810386 344823248 /nfs/dbraw/zinc/82/32/48/344823248.db2.gz ADTHQZDXCBMOSP-VIFPVBQESA-N 0 0 195.262 1.200 10 0 ADAERN CC(=O)N1CCCC[C@H]1C(F)(F)F 238812465 344823262 /nfs/dbraw/zinc/82/32/62/344823262.db2.gz AQFORBPUFTXCHV-ZETCQYMHSA-N 0 0 195.184 1.950 10 0 ADAERN COC1CN(C(=O)[C@@H]2CC=CCC2)C1 238810385 344823268 /nfs/dbraw/zinc/82/32/68/344823268.db2.gz ADTHQZDXCBMOSP-SECBINFHSA-N 0 0 195.262 1.200 10 0 ADAERN O=C(CC1CC1)N[C@@H]1CCCOC1 238818047 344823334 /nfs/dbraw/zinc/82/33/34/344823334.db2.gz BYLRVUFBKKMJQL-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN COC1CN(Cc2cccs2)C1 238822709 344823363 /nfs/dbraw/zinc/82/33/63/344823363.db2.gz DAMQRBYVQDRWRK-UHFFFAOYSA-N 0 0 183.276 1.579 10 0 ADAERN CC(=O)N1CCCC[C@@H]1C(F)(F)F 238812464 344823369 /nfs/dbraw/zinc/82/33/69/344823369.db2.gz AQFORBPUFTXCHV-SSDOTTSWSA-N 0 0 195.184 1.950 10 0 ADAERN Cc1nc([C@H](C)O)co1 238850633 344823388 /nfs/dbraw/zinc/82/33/88/344823388.db2.gz CFJNJCCRNSRJBE-BYPYZUCNSA-N 0 0 127.143 1.036 10 0 in-vitro ADAERN Cc1nc([C@@H](C)O)co1 238850634 344823390 /nfs/dbraw/zinc/82/33/90/344823390.db2.gz CFJNJCCRNSRJBE-SCSAIBSYSA-N 0 0 127.143 1.036 10 0 in-vitro ADAERN CC(C)c1cc(C(F)(F)CN)n[nH]1 238853768 344823708 /nfs/dbraw/zinc/82/37/08/344823708.db2.gz KUXKBZKRYMNXRU-UHFFFAOYSA-N 0 0 189.209 1.584 10 0 ADAERN CSCCC(=O)NCCC(C)C 244094597 344825969 /nfs/dbraw/zinc/82/59/69/344825969.db2.gz UFRUBLIPCNMVAY-UHFFFAOYSA-N 0 0 189.324 1.902 10 0 ADAERN O=C(C=C1CCOCC1)NC1CC1 243493851 344826012 /nfs/dbraw/zinc/82/60/12/344826012.db2.gz NRKWEDHYVQOFNV-UHFFFAOYSA-N 0 0 181.235 1.002 10 0 ADAERN CC(C)NC(=O)C=C1CCOCC1 243724897 344826072 /nfs/dbraw/zinc/82/60/72/344826072.db2.gz PQDFADNWFFHSOR-UHFFFAOYSA-N 0 0 183.251 1.248 10 0 ADAERN CCCCN(C)C(=O)CCSC 243405306 344826117 /nfs/dbraw/zinc/82/61/17/344826117.db2.gz MPKMKBSMKFBWNB-UHFFFAOYSA-N 0 0 189.324 1.998 10 0 ADAERN CN(C)C(=O)Nc1cccnc1Cl 244149384 344826187 /nfs/dbraw/zinc/82/61/87/344826187.db2.gz UTZPZSUXNALCJH-UHFFFAOYSA-N 0 0 199.641 1.829 10 0 ADAERN CC(=O)n1ncc(=O)c2ccccc21 247933712 344827103 /nfs/dbraw/zinc/82/71/03/344827103.db2.gz KPOSKPNVQAAPSU-UHFFFAOYSA-N 0 0 188.186 1.057 10 0 ADAERN Cc1nc(-c2ccccn2)n(O)c1C 247865872 344827152 /nfs/dbraw/zinc/82/71/52/344827152.db2.gz ONLYTPYHBHQWGL-UHFFFAOYSA-N 0 0 189.218 1.799 10 0 ADAERN CCCO[C@@H]1C[C@H](C)CC[C@H]1O 249777826 344827765 /nfs/dbraw/zinc/82/77/65/344827765.db2.gz FRKWDTZOMHRYHC-OPRDCNLKSA-N 0 0 172.268 1.963 10 0 ADAERN CNCc1noc([C@@H]2[C@H]3CCC[C@H]32)n1 249861015 344827920 /nfs/dbraw/zinc/82/79/20/344827920.db2.gz ZCBPWTDSSXKKNG-QMSLJYSESA-N 0 0 193.250 1.303 10 0 ADAERN CCCO[C@@H]1C[C@@H](C)CC[C@H]1O 249777822 344827963 /nfs/dbraw/zinc/82/79/63/344827963.db2.gz FRKWDTZOMHRYHC-IVZWLZJFSA-N 0 0 172.268 1.963 10 0 ADAERN CC[N@H+](C)[C@H]1CCC[C@H]1C(=O)[O-] 249915605 344828360 /nfs/dbraw/zinc/82/83/60/344828360.db2.gz JUZHYIOYVGLLAG-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CC[N@H+](C)[C@@H]1CCC[C@H]1C(=O)[O-] 249915603 344828809 /nfs/dbraw/zinc/82/88/09/344828809.db2.gz JUZHYIOYVGLLAG-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN CCC[S@](=O)[C@H]1CCC(=O)[C@H]1C 250033486 344829456 /nfs/dbraw/zinc/82/94/56/344829456.db2.gz PBIWEPIQKREFDR-FDOIEUKUSA-N 0 0 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344832564 /nfs/dbraw/zinc/83/25/64/344832564.db2.gz BNOLFWMHNPXSKC-AYMMMOKOSA-N 0 0 173.256 1.484 10 0 ADAERN CCONC(=O)[C@@H]1[C@H]2CCC[C@H]21 250368209 344832825 /nfs/dbraw/zinc/83/28/25/344832825.db2.gz AMSLTIZGRBWNKC-JIGDXULJSA-N 0 0 169.224 1.100 10 0 ADAERN C[N@@H+](C1CCCC1)[C@@H]1CC[C@H]1C(=O)[O-] 250392838 344833219 /nfs/dbraw/zinc/83/32/19/344833219.db2.gz LAMRRRNLXDDBPS-NXEZZACHSA-N 0 0 197.278 1.724 10 0 ADAERN C[N@@H+](C1CCCC1)[C@H]1CC[C@H]1C(=O)[O-] 250392841 344833283 /nfs/dbraw/zinc/83/32/83/344833283.db2.gz LAMRRRNLXDDBPS-ZJUUUORDSA-N 0 0 197.278 1.724 10 0 ADAERN CCONC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250380826 344833315 /nfs/dbraw/zinc/83/33/15/344833315.db2.gz IGJPMLYRJHGLNF-RNLVFQAGSA-N 0 0 169.224 1.100 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CC[C@H]1C(=O)[O-] 250479930 344834408 /nfs/dbraw/zinc/83/44/08/344834408.db2.gz BPWGVKGBPMEQRZ-SFYZADRCSA-N 0 0 171.240 1.190 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CCCC[C@H]1C(=O)[O-] 250484943 344834530 /nfs/dbraw/zinc/83/45/30/344834530.db2.gz DPCGEFHTJZHFQZ-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[N@H+](C)[C@H]1CCC[C@H]1C(=O)[O-] 250507311 344835057 /nfs/dbraw/zinc/83/50/57/344835057.db2.gz NOXYWYQBEDPZPR-BDAKNGLRSA-N 0 0 185.267 1.580 10 0 ADAERN CC(C)[N@H+](C)[C@@H]1CCC[C@H]1C(=O)[O-] 250507318 344835131 /nfs/dbraw/zinc/83/51/31/344835131.db2.gz NOXYWYQBEDPZPR-RKDXNWHRSA-N 0 0 185.267 1.580 10 0 ADAERN CC(=O)CNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 250512162 344835168 /nfs/dbraw/zinc/83/51/68/344835168.db2.gz CMNKTWPNZRTQCS-MYJAWHEDSA-N 0 0 195.262 1.128 10 0 ADAERN CCO[C@@H]1[C@H](C)C[C@H](C)C[C@H]1O 250513873 344835295 /nfs/dbraw/zinc/83/52/95/344835295.db2.gz OGNMQASQGFPEAJ-SGIHWFKDSA-N 0 0 172.268 1.818 10 0 ADAERN CCO[C@@H]1[C@H](C)C[C@@H](C)C[C@H]1O 250513876 344835346 /nfs/dbraw/zinc/83/53/46/344835346.db2.gz OGNMQASQGFPEAJ-ZYUZMQFOSA-N 0 0 172.268 1.818 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1[C@H]1CCOC1 250527965 344835675 /nfs/dbraw/zinc/83/56/75/344835675.db2.gz QJQDKOPJPXIIOV-CIUDSAMLSA-N 0 0 154.209 1.248 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1CCCOC1 250524936 344835797 /nfs/dbraw/zinc/83/57/97/344835797.db2.gz OOVCMIODUNBLJR-LPEHRKFASA-N 0 0 168.236 1.638 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1[C@H]1CCCOC1 250524932 344835835 /nfs/dbraw/zinc/83/58/35/344835835.db2.gz OOVCMIODUNBLJR-GUBZILKMSA-N 0 0 168.236 1.638 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1CCOC1 250527972 344835932 /nfs/dbraw/zinc/83/59/32/344835932.db2.gz QJQDKOPJPXIIOV-XHNCKOQMSA-N 0 0 154.209 1.248 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1[C@H]1CCCO1 250536416 344835939 /nfs/dbraw/zinc/83/59/39/344835939.db2.gz YUOVUONDCOGDEB-DJLDLDEBSA-N 0 0 154.209 1.391 10 0 ADAERN CCO[C@@H]1C[C@H](C)CC[C@H]1O 250578725 344836331 /nfs/dbraw/zinc/83/63/31/344836331.db2.gz XXPBCRONGRFHOC-IWSPIJDZSA-N 0 0 158.241 1.572 10 0 ADAERN CCCNC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250554834 344836336 /nfs/dbraw/zinc/83/63/36/344836336.db2.gz UMXZYXHKPQWCSU-AYMMMOKOSA-N 0 0 167.252 1.559 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1CCCO1 250536420 344836522 /nfs/dbraw/zinc/83/65/22/344836522.db2.gz YUOVUONDCOGDEB-XHNCKOQMSA-N 0 0 154.209 1.391 10 0 ADAERN CC(C)OC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250572485 344836526 /nfs/dbraw/zinc/83/65/26/344836526.db2.gz AKXKMNFPKNFNHI-AYMMMOKOSA-N 0 0 168.236 1.984 10 0 ADAERN CC(C)CNC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250587916 344836893 /nfs/dbraw/zinc/83/68/93/344836893.db2.gz YUQCYZKACPXIMN-ILWJIGKKSA-N 0 0 181.279 1.805 10 0 ADAERN C[N@H+]1[C@H](C(=O)[O-])CC[C@H]2CCCC[C@H]21 250616125 344837374 /nfs/dbraw/zinc/83/73/74/344837374.db2.gz NYUUQXBEXPRMBL-BBBLOLIVSA-N 0 0 197.278 1.724 10 0 ADAERN C[N@H+]1[C@H](C(=O)[O-])CC[C@@H]2CCCC[C@H]21 250616122 344837512 /nfs/dbraw/zinc/83/75/12/344837512.db2.gz NYUUQXBEXPRMBL-AEJSXWLSSA-N 0 0 197.278 1.724 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])C[C@@H](C)C[C@@H](C)C1 250616818 344837552 /nfs/dbraw/zinc/83/75/52/344837552.db2.gz ITDBTTULJPJPTR-JZYVYDRUSA-N 0 0 199.294 1.875 10 0 ADAERN C[N@H+]1[C@H](C(=O)[O-])CC[C@H]2CCCC[C@@H]21 250616126 344837604 /nfs/dbraw/zinc/83/76/04/344837604.db2.gz NYUUQXBEXPRMBL-UTLUCORTSA-N 0 0 197.278 1.724 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)C[C@H]1C 250637835 344837828 /nfs/dbraw/zinc/83/78/28/344837828.db2.gz MMPLLHHZXDQJFW-FXPVBKGRSA-N 0 0 199.294 1.875 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CC[C@H](C)C[C@H]1C 250637836 344837840 /nfs/dbraw/zinc/83/78/40/344837840.db2.gz MMPLLHHZXDQJFW-IQJOONFLSA-N 0 0 199.294 1.875 10 0 ADAERN Nc1noc([C@H]2C[C@@H]3C[C@@H]3C2)n1 250643391 344838047 /nfs/dbraw/zinc/83/80/47/344838047.db2.gz IMIDHSROEOCRSD-FPFOFBBKSA-N 0 0 165.196 1.165 10 0 ADAERN NCc1noc([C@H]2C[C@@H]3C[C@@H]3C2)n1 250634224 344838109 /nfs/dbraw/zinc/83/81/09/344838109.db2.gz FCXUYIQYQOWILW-KVSKUHBBSA-N 0 0 179.223 1.042 10 0 ADAERN C[N@@H+]1CC[C@@H]2CC[C@@H](C(=O)[O-])C[C@H]21 250648316 344838448 /nfs/dbraw/zinc/83/84/48/344838448.db2.gz WAUMWTLXXDCAKY-DJLDLDEBSA-N 0 0 183.251 1.191 10 0 ADAERN O[C@@H]1CCC[C@H]1OC[C@H]1CCCO1 250650311 344838492 /nfs/dbraw/zinc/83/84/92/344838492.db2.gz LVESPQNHHNMQQG-OPRDCNLKSA-N 0 0 186.251 1.095 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])C[C@@H](C)CC[C@H]1C 250648739 344838546 /nfs/dbraw/zinc/83/85/46/344838546.db2.gz OOANYWFKEKKRAO-IQJOONFLSA-N 0 0 199.294 1.875 10 0 ADAERN C[N@@H+]1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@H]21 250648319 344838553 /nfs/dbraw/zinc/83/85/53/344838553.db2.gz WAUMWTLXXDCAKY-XHNCKOQMSA-N 0 0 183.251 1.191 10 0 ADAERN C[N@@H+]1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@@H]21 250648312 344838561 /nfs/dbraw/zinc/83/85/61/344838561.db2.gz WAUMWTLXXDCAKY-CIUDSAMLSA-N 0 0 183.251 1.191 10 0 ADAERN NCc1nnc([C@H]2C[C@@H]3C[C@@H]3C2)s1 250674259 344839373 /nfs/dbraw/zinc/83/93/73/344839373.db2.gz WFZXEEUGLPTMAO-KVSKUHBBSA-N 0 0 195.291 1.510 10 0 ADAERN CC(C)(C)NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250691533 344839760 /nfs/dbraw/zinc/83/97/60/344839760.db2.gz JVBHCRURLCRFBH-AYMMMOKOSA-N 0 0 181.279 1.947 10 0 ADAERN Nc1cc([C@H]2C[C@@H]3C[C@@H]3C2)on1 250765745 344840458 /nfs/dbraw/zinc/84/04/58/344840458.db2.gz KGKBGCIGHRTZSO-KVSKUHBBSA-N 0 0 164.208 1.770 10 0 ADAERN CC(C)NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250742494 344840553 /nfs/dbraw/zinc/84/05/53/344840553.db2.gz LOZLQZGHCCQPAW-AYMMMOKOSA-N 0 0 167.252 1.557 10 0 ADAERN Nc1cc([C@@H]2[C@H]3CCC[C@H]32)no1 250744868 344840569 /nfs/dbraw/zinc/84/05/69/344840569.db2.gz AKLVZAVDWNOBDM-KPCSLPGQSA-N 0 0 164.208 1.770 10 0 ADAERN Nc1cc([C@@H]2[C@H]3CCCC[C@H]32)[nH]n1 250744676 344840577 /nfs/dbraw/zinc/84/05/77/344840577.db2.gz AHRGNEJCFSKQRV-MTBHXBHISA-N 0 0 177.251 1.896 10 0 ADAERN NCc1ncc([C@H]2C[C@@H]3C[C@@H]3C2)o1 250784832 344840842 /nfs/dbraw/zinc/84/08/42/344840842.db2.gz UMQCKFRXJMNONH-RNLVFQAGSA-N 0 0 178.235 1.647 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@@H](C)[C@H]1C 250772268 344840851 /nfs/dbraw/zinc/84/08/51/344840851.db2.gz ZOTBJUBWUMKVSQ-FXPVBKGRSA-N 0 0 199.294 1.875 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)[C@H]1C 250772269 344840925 /nfs/dbraw/zinc/84/09/25/344840925.db2.gz ZOTBJUBWUMKVSQ-IQJOONFLSA-N 0 0 199.294 1.875 10 0 ADAERN 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344841862 /nfs/dbraw/zinc/84/18/62/344841862.db2.gz YYXCFTNOCQHSRG-BDAKNGLRSA-N 0 0 197.278 1.724 10 0 ADAERN Nc1cc([C@@H]2[C@H]3CCC[C@H]32)on1 250822601 344842041 /nfs/dbraw/zinc/84/20/41/344842041.db2.gz YUTXTDTURMGZEC-KPCSLPGQSA-N 0 0 164.208 1.770 10 0 ADAERN S=C1N=NC([C@@H]2[C@H]3CCCC[C@H]32)N1 250851013 344842331 /nfs/dbraw/zinc/84/23/31/344842331.db2.gz OFUMKNAGOUXWEE-ZMONIFLSSA-N 0 0 195.291 1.997 10 0 ADAERN O=C([O-])C[C@@H]1CC[N@@H+]2CCCC[C@H]12 250870190 344842856 /nfs/dbraw/zinc/84/28/56/344842856.db2.gz SHSXPCGJXGFGNV-DTWKUNHWSA-N 0 0 183.251 1.336 10 0 ADAERN O=C([O-])C[C@H]1CC[N@@H+]2CCCC[C@H]12 250870196 344842863 /nfs/dbraw/zinc/84/28/63/344842863.db2.gz SHSXPCGJXGFGNV-RKDXNWHRSA-N 0 0 183.251 1.336 10 0 ADAERN Nc1n[nH]c([C@@H]2[C@H]3CCCC[C@H]32)n1 250889677 344842911 /nfs/dbraw/zinc/84/29/11/344842911.db2.gz XGUQJROAYNSXJJ-ZMONIFLSSA-N 0 0 178.239 1.291 10 0 ADAERN CSCC(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250937082 344843248 /nfs/dbraw/zinc/84/32/48/344843248.db2.gz 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1.947 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)CC[C@H]1C 251216335 344849601 /nfs/dbraw/zinc/84/96/01/344849601.db2.gz LMHGEJKHKIPTBO-OPRDCNLKSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1C[C@@H](C)CC[C@H]1C 251216333 344849757 /nfs/dbraw/zinc/84/97/57/344849757.db2.gz LMHGEJKHKIPTBO-IVZWLZJFSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H]1[C@H]2CCC[C@H]21 251225118 344849875 /nfs/dbraw/zinc/84/98/75/344849875.db2.gz SKUSXAHJKFBZIO-JIGDXULJSA-N 0 0 177.251 1.814 10 0 ADAERN CCC(=O)[C@H](C)N1C[C@@H](C)OC[C@H]1C 251234115 344849963 /nfs/dbraw/zinc/84/99/63/344849963.db2.gz RBWAVFBSCSNORT-BBBLOLIVSA-N 0 0 199.294 1.463 10 0 ADAERN CCC(=O)[C@H](C)N1C[C@H](C)OC[C@H]1C 251234119 344850021 /nfs/dbraw/zinc/85/00/21/344850021.db2.gz RBWAVFBSCSNORT-UTLUCORTSA-N 0 0 199.294 1.463 10 0 ADAERN CCC(=O)[C@@H](C)N1CCOC[C@H]1C 251222284 344850087 /nfs/dbraw/zinc/85/00/87/344850087.db2.gz NHLBYHJQHODGPM-RKDXNWHRSA-N 0 0 185.267 1.075 10 0 ADAERN CCC(=O)CN1C[C@@H](C)OC[C@H]1C 251221186 344850096 /nfs/dbraw/zinc/85/00/96/344850096.db2.gz MWAUFPROJBOVME-RKDXNWHRSA-N 0 0 185.267 1.075 10 0 ADAERN CCC(=O)CN1C[C@H](C)OC[C@H]1C 251221185 344850117 /nfs/dbraw/zinc/85/01/17/344850117.db2.gz MWAUFPROJBOVME-BDAKNGLRSA-N 0 0 185.267 1.075 10 0 ADAERN CCC(=O)[C@H](C)N1CCOC[C@H]1C 251222282 344850163 /nfs/dbraw/zinc/85/01/63/344850163.db2.gz NHLBYHJQHODGPM-BDAKNGLRSA-N 0 0 185.267 1.075 10 0 ADAERN CCC[C@H](N[C@@H]1C[C@H]1C)C(=O)OCC 251237286 344850470 /nfs/dbraw/zinc/85/04/70/344850470.db2.gz ACDXORICISUAEP-KXUCPTDWSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C)[C@H]1C 251250103 344850477 /nfs/dbraw/zinc/85/04/77/344850477.db2.gz VPPDLRPPXBUHDF-OPRDCNLKSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H](O)[C@@H](C)C[C@H]1CCCO1 251239635 344850495 /nfs/dbraw/zinc/85/04/95/344850495.db2.gz SAWPACQZHBQODT-XHNCKOQMSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@H](O)[C@H](C)C[C@H]1CCCO1 251239634 344850549 /nfs/dbraw/zinc/85/05/49/344850549.db2.gz SAWPACQZHBQODT-HRDYMLBCSA-N 0 0 158.241 1.572 10 0 ADAERN O=C(NC1CC1)[C@H]1C[C@@H]2C[C@@H]2C1 251276031 344850861 /nfs/dbraw/zinc/85/08/61/344850861.db2.gz MGLQKRMATVKDEG-RNLVFQAGSA-N 0 0 165.236 1.311 10 0 ADAERN NCc1nnc([C@@H]2[C@H]3CCC[C@H]32)s1 251277039 344851039 /nfs/dbraw/zinc/85/10/39/344851039.db2.gz MJYWDALPDIBFIE-BDINMYNLSA-N 0 0 195.291 1.510 10 0 ADAERN O[C@@H]1CCCC[C@H]1[C@H]1CCOC1 251280836 344851455 /nfs/dbraw/zinc/85/14/55/344851455.db2.gz MQWDEADNWXQDPQ-LPEHRKFASA-N 0 0 170.252 1.574 10 0 ADAERN CCO[C@@H]1C[C@H](O)[C@]1(C)CC 251293646 344851460 /nfs/dbraw/zinc/85/14/60/344851460.db2.gz SBGUVPSNHOBLNK-YIZRAAEISA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CCC[C@H]1C(=O)[O-] 251308858 344851725 /nfs/dbraw/zinc/85/17/25/344851725.db2.gz JQGMSRSGCTVJDJ-IUCAKERBSA-N 0 0 185.267 1.580 10 0 ADAERN CC[C@H](C)[S@@](=O)[C@H]1CCC(=O)C1 251306610 344851831 /nfs/dbraw/zinc/85/18/31/344851831.db2.gz CUHIWJXUGWIALI-QOSJWCAFSA-N 0 0 188.292 1.655 10 0 ADAERN 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/nfs/dbraw/zinc/85/27/15/344852715.db2.gz XAGZEIUAWQMZBE-MWLCHTKSSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CCC[C@]1(C)C(=O)[O-] 251369969 344852834 /nfs/dbraw/zinc/85/28/34/344852834.db2.gz XAGZEIUAWQMZBE-GXSJLCMTSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@@H]1N[C@@H](C)C(=O)N1[C@H](C)C(C)C 251379927 344853244 /nfs/dbraw/zinc/85/32/44/344853244.db2.gz VXYKFFSFJUMHMZ-IVZWLZJFSA-N 0 0 198.310 1.587 10 0 ADAERN CCC[C@@H]1N[C@H](C)C(=O)N1[C@H]1C[C@@H]1C 251379024 344853286 /nfs/dbraw/zinc/85/32/86/344853286.db2.gz RIWLRFNEEDEFKY-QCLAVDOMSA-N 0 0 196.294 1.341 10 0 ADAERN CCC[C@@H]1N[C@H](C)C(=O)N1[C@H]1C[C@H]1C 251379022 344853313 /nfs/dbraw/zinc/85/33/13/344853313.db2.gz RIWLRFNEEDEFKY-DOLQZWNJSA-N 0 0 196.294 1.341 10 0 ADAERN CCC[C@@H]1N[C@H](C)C(=O)N1[C@@H]1C[C@H]1C 251379026 344853364 /nfs/dbraw/zinc/85/33/64/344853364.db2.gz RIWLRFNEEDEFKY-ZYUZMQFOSA-N 0 0 196.294 1.341 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]2[NH2+]CCC[C@H]2C1 251411525 344853619 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344895646 /nfs/dbraw/zinc/89/56/46/344895646.db2.gz FIQYSYMBCRZLAN-UWVGGRQHSA-N 0 0 197.278 1.219 10 0 ADAERN C[C@H]1CN([C@H]2CCCCC2=O)CCO1 252424193 344895654 /nfs/dbraw/zinc/89/56/54/344895654.db2.gz FUTDLKLMDKZEJA-UWVGGRQHSA-N 0 0 197.278 1.219 10 0 ADAERN CC[C@@](C)(C(=O)[O-])[N@@H+]1CCC[C@H]1C 252435601 344895737 /nfs/dbraw/zinc/89/57/37/344895737.db2.gz RMUIHAKRRXBOJY-SCZZXKLOSA-N 0 0 185.267 1.724 10 0 ADAERN CC[C@](C)(C(=O)[O-])[N@@H+]1CCC[C@H]1C 252435600 344895800 /nfs/dbraw/zinc/89/58/00/344895800.db2.gz RMUIHAKRRXBOJY-PSASIEDQSA-N 0 0 185.267 1.724 10 0 ADAERN C[C@H]1CCC[C@@H](C)[C@]12CC(=O)NC2=O 252432201 344895945 /nfs/dbraw/zinc/89/59/45/344895945.db2.gz YAOURXKSOZEHEQ-AKZRSSKFSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1CC(=O)CCN1C[C@H]1CCCO1 252439713 344896329 /nfs/dbraw/zinc/89/63/29/344896329.db2.gz RXHYVHKZHHTTQW-MWLCHTKSSA-N 0 0 197.278 1.219 10 0 ADAERN CN(CC(F)(F)F)[C@H]1CCC[C@H]1O 252439537 344896419 /nfs/dbraw/zinc/89/64/19/344896419.db2.gz 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252469457 344899100 /nfs/dbraw/zinc/89/91/00/344899100.db2.gz UAASWIQJFDGRSC-VGMNWLOBSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H](N)C(=O)O[C@H]1CC[C@@H](C)[C@H](C)C1 252473780 344899474 /nfs/dbraw/zinc/89/94/74/344899474.db2.gz XDASFLZIDNKEFW-KYXWUPHJSA-N 0 0 199.294 1.702 10 0 ADAERN C[C@@H]1[C@H](O)C[C@H]1c1ccncc1 252492866 344899928 /nfs/dbraw/zinc/89/99/28/344899928.db2.gz DOXAORTXEKGBDY-FXBDTBDDSA-N 0 0 163.220 1.566 10 0 ADAERN Nc1nsc([C@@H]2[C@H]3CCC[C@H]32)n1 252514627 344900870 /nfs/dbraw/zinc/90/08/70/344900870.db2.gz QWRUWJBLQYLYPL-FMCRUOTFSA-N 0 0 181.264 1.634 10 0 ADAERN C[C@@H]1C[C@]1(O)CC[C@H]1CCCO1 252572300 344902172 /nfs/dbraw/zinc/90/21/72/344902172.db2.gz CMZXWPSYQSMUIY-OPRDCNLKSA-N 0 0 170.252 1.717 10 0 ADAERN CCC[C@H](C)[C@H]1CC(=O)NC(=O)[C@H]1C 252573069 344902208 /nfs/dbraw/zinc/90/22/08/344902208.db2.gz DIISKSAVKCDVRX-XHNCKOQMSA-N 0 0 197.278 1.721 10 0 ADAERN CC[C@H](C)[C@]1(O)C[C@H]1C 252575387 344902248 /nfs/dbraw/zinc/90/22/48/344902248.db2.gz 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CCC[C@H](C)[C@@H]1CC(=O)NC(=O)[C@H]1C 252573068 344902389 /nfs/dbraw/zinc/90/23/89/344902389.db2.gz DIISKSAVKCDVRX-CIUDSAMLSA-N 0 0 197.278 1.721 10 0 ADAERN C[C@@H]1C[C@@]1(O)CC[C@H]1CCCO1 252572299 344902398 /nfs/dbraw/zinc/90/23/98/344902398.db2.gz CMZXWPSYQSMUIY-BBBLOLIVSA-N 0 0 170.252 1.717 10 0 ADAERN CCC[C@]1(O)[C@H]2CCC[C@H]21 252577648 344902609 /nfs/dbraw/zinc/90/26/09/344902609.db2.gz JJMIBDJCRCFLLQ-AYMMMOKOSA-N 0 0 140.226 1.948 10 0 ADAERN COCC[C@]1(O)[C@H]2CCCC[C@H]21 252576935 344902634 /nfs/dbraw/zinc/90/26/34/344902634.db2.gz IPFHOJQELBOFIC-ILWJIGKKSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@H](C)[C@H]1CC(=O)NC(=O)[C@H]1C 252577460 344902644 /nfs/dbraw/zinc/90/26/44/344902644.db2.gz JELPYSMLUKDOBG-BIIVOSGPSA-N 0 0 183.251 1.331 10 0 ADAERN CC[C@]1(O)[C@H]2CCCC[C@H]21 252577359 344902648 /nfs/dbraw/zinc/90/26/48/344902648.db2.gz JAKIPZLFTANZBY-AYMMMOKOSA-N 0 0 140.226 1.948 10 0 ADAERN CC[C@H](C)[C@@H]1CC(=O)NC(=O)[C@H]1C 252577461 344902725 /nfs/dbraw/zinc/90/27/25/344902725.db2.gz JELPYSMLUKDOBG-FXQIFTODSA-N 0 0 183.251 1.331 10 0 ADAERN COCC[C@]1(O)[C@H]2CCC[C@H]21 252580165 344902933 /nfs/dbraw/zinc/90/29/33/344902933.db2.gz PPHCJJOOYVRJQP-AYMMMOKOSA-N 0 0 156.225 1.184 10 0 ADAERN CC[C@]1(O)[C@H]2CCC[C@H]21 252582535 344903011 /nfs/dbraw/zinc/90/30/11/344903011.db2.gz VOUBAYKNUQWRCD-RNLVFQAGSA-N 0 0 126.199 1.557 10 0 ADAERN CC[C@H](O)[C@H]1CCO[C@H](CC)C1 252583665 344903070 /nfs/dbraw/zinc/90/30/70/344903070.db2.gz YHZKIWSFBQALTO-AEJSXWLSSA-N 0 0 172.268 1.963 10 0 ADAERN O[C@]1(c2cn[nH]c2)[C@H]2CCCC[C@H]21 252582099 344903088 /nfs/dbraw/zinc/90/30/88/344903088.db2.gz UKUSYKJTIIDRQK-MYJAWHEDSA-N 0 0 178.235 1.417 10 0 ADAERN O[C@]1(C[C@H]2CCCO2)[C@H]2CCC[C@H]21 252582484 344903102 /nfs/dbraw/zinc/90/31/02/344903102.db2.gz VLVTWZSKNJAUQA-ZNSHCXBVSA-N 0 0 182.263 1.717 10 0 ADAERN O[C@]1([C@H]2CCOC2)[C@H]2CCCC[C@H]21 252580324 344903118 /nfs/dbraw/zinc/90/31/18/344903118.db2.gz PYBYZSNMYRYSHE-UKKRHICBSA-N 0 0 182.263 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CC[C@H](C)[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] 253165750 344929332 /nfs/dbraw/zinc/92/93/32/344929332.db2.gz ZLESTSAGYXNZRY-GUBZILKMSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[C@H](NN)[C@H]1CCC[C@H]1C 253180335 344929580 /nfs/dbraw/zinc/92/95/80/344929580.db2.gz DHCSQISGKHBHGE-UTLUCORTSA-N 0 0 170.300 1.911 10 0 ADAERN C[C@@H]1CCC[C@H]1[C@@H](C)NN 253182628 344929624 /nfs/dbraw/zinc/92/96/24/344929624.db2.gz JGRBGWQZJVEVAB-BWZBUEFSSA-N 0 0 142.246 1.274 10 0 ADAERN CCNC(=O)N[C@@H]1CC[C@@H](C)[C@H]1C 253178175 344929647 /nfs/dbraw/zinc/92/96/47/344929647.db2.gz RFGUSSZWJNOGAF-IWSPIJDZSA-N 0 0 184.283 1.740 10 0 ADAERN CCNC(=O)N[C@@H]1CC[C@H](C)[C@H]1C 253178174 344929665 /nfs/dbraw/zinc/92/96/65/344929665.db2.gz RFGUSSZWJNOGAF-DJLDLDEBSA-N 0 0 184.283 1.740 10 0 ADAERN C[C@H](NN)[C@H]1CCC[C@H]1C 253182630 344929719 /nfs/dbraw/zinc/92/97/19/344929719.db2.gz JGRBGWQZJVEVAB-CSMHCCOUSA-N 0 0 142.246 1.274 10 0 ADAERN C[C@@H]1CCC[C@@H]1[C@@H](C)NN 253182633 344929814 /nfs/dbraw/zinc/92/98/14/344929814.db2.gz JGRBGWQZJVEVAB-PRJMDXOYSA-N 0 0 142.246 1.274 10 0 ADAERN CC(C)[C@H](NN)[C@@H]1CCC[C@H]1C 253180333 344929818 /nfs/dbraw/zinc/92/98/18/344929818.db2.gz DHCSQISGKHBHGE-BBBLOLIVSA-N 0 0 170.300 1.911 10 0 ADAERN C[C@H](NN)[C@@H]1CCC[C@H]1C 253182631 344929935 /nfs/dbraw/zinc/92/99/35/344929935.db2.gz JGRBGWQZJVEVAB-GJMOJQLCSA-N 0 0 142.246 1.274 10 0 ADAERN Cn1cc([C@@H](O)[C@@H]2[C@H]3CCC[C@H]32)cn1 253184391 344930261 /nfs/dbraw/zinc/93/02/61/344930261.db2.gz HGMQTVUGHJSJRA-VPOLOUISSA-N 0 0 192.262 1.500 10 0 ADAERN Cn1cc([C@H](O)[C@@H]2[C@H]3CCC[C@H]32)cn1 253184393 344930284 /nfs/dbraw/zinc/93/02/84/344930284.db2.gz HGMQTVUGHJSJRA-ZDCRXTMVSA-N 0 0 192.262 1.500 10 0 ADAERN CC[C@@H]1CC[C@@H](NC(=O)NC)[C@H]1C 253187488 344930395 /nfs/dbraw/zinc/93/03/95/344930395.db2.gz YMCZPRCEWHVXRB-DJLDLDEBSA-N 0 0 184.283 1.740 10 0 ADAERN CC[C@@H]1CC[C@H](NC(=O)NC)[C@H]1C 253187489 344930399 /nfs/dbraw/zinc/93/03/99/344930399.db2.gz YMCZPRCEWHVXRB-YIZRAAEISA-N 0 0 184.283 1.740 10 0 ADAERN CCC(=O)[C@H](C)N1CCC(=O)[C@H](C)C1 253246361 344932234 /nfs/dbraw/zinc/93/22/34/344932234.db2.gz GRAYRGYQWNFKCU-BDAKNGLRSA-N 0 0 197.278 1.265 10 0 ADAERN CCC(=O)[C@@H](C)N1CCC(=O)[C@H](C)C1 253246362 344932243 /nfs/dbraw/zinc/93/22/43/344932243.db2.gz GRAYRGYQWNFKCU-RKDXNWHRSA-N 0 0 197.278 1.265 10 0 ADAERN CC[C@@H]1CN([C@H]2CCOC2)CCC1=O 253283017 344932544 /nfs/dbraw/zinc/93/25/44/344932544.db2.gz LRQPECKVDSCXGB-ZJUUUORDSA-N 0 0 197.278 1.076 10 0 ADAERN CC[C@H]1CN([C@H]2CCOC2)CCC1=O 253283016 344932666 /nfs/dbraw/zinc/93/26/66/344932666.db2.gz LRQPECKVDSCXGB-UWVGGRQHSA-N 0 0 197.278 1.076 10 0 ADAERN C[C@@H]1CN([C@H]2CCCC2=O)CCC1=O 253312196 344933257 /nfs/dbraw/zinc/93/32/57/344933257.db2.gz VSNDVKPIXUWATR-BDAKNGLRSA-N 0 0 195.262 1.019 10 0 ADAERN C[C@H]1CN([C@H]2CCCC2=O)CCC1=O 253312197 344933502 /nfs/dbraw/zinc/93/35/02/344933502.db2.gz VSNDVKPIXUWATR-IUCAKERBSA-N 0 0 195.262 1.019 10 0 ADAERN O=C(/C=C/C1CC1)NC1CC1 253458435 344934232 /nfs/dbraw/zinc/93/42/32/344934232.db2.gz DOVALQXYABECIE-ZZXKWVIFSA-N 0 0 151.209 1.231 10 0 ADAERN CC(C)/C=C/C(=O)NC1CC1 253462305 344934238 /nfs/dbraw/zinc/93/42/38/344934238.db2.gz KFDZCOFYLRUKNA-ZZXKWVIFSA-N 0 0 153.225 1.477 10 0 ADAERN CCNC(=O)/C=C/C(C)(C)C 253458131 344934242 /nfs/dbraw/zinc/93/42/42/344934242.db2.gz DBEVDIZNSPHLJU-VOTSOKGWSA-N 0 0 155.241 1.725 10 0 ADAERN CC/C=C/C(=O)NC1CC1 253465016 344934284 /nfs/dbraw/zinc/93/42/84/344934284.db2.gz STUGLEKDGSKNTI-ONEGZZNKSA-N 0 0 139.198 1.231 10 0 ADAERN CC(C)NC(=O)/C=C/C1CC1 253467426 344934298 /nfs/dbraw/zinc/93/42/98/344934298.db2.gz ZLSJMQFUKSTPCY-AATRIKPKSA-N 0 0 153.225 1.477 10 0 ADAERN CCNC(=O)/C=C/C1CC1 253465227 344934370 /nfs/dbraw/zinc/93/43/70/344934370.db2.gz UMRDTLXTYQOWBJ-AATRIKPKSA-N 0 0 139.198 1.089 10 0 ADAERN O=C1C[C@]2(CCC[C@H]3C[C@H]32)CN1 253619112 344935091 /nfs/dbraw/zinc/93/50/91/344935091.db2.gz AKMVJFKSDIWIAS-QXFUBDJGSA-N 0 0 165.236 1.313 10 0 ADAERN CC(C)Nc1nc(=O)[nH]cc1F 253578830 344934677 /nfs/dbraw/zinc/93/46/77/344934677.db2.gz YVGKRAMODVFXMN-UHFFFAOYSA-N 0 0 171.175 1.142 10 0 ADAERN C[C@H](O)c1ccc(NC2CC2)c(N)c1 253577713 344934736 /nfs/dbraw/zinc/93/47/36/344934736.db2.gz XJVDHVXRMLCONB-ZETCQYMHSA-N 0 0 192.262 1.896 10 0 ADAERN CN(C)c1cc(Cl)nc2nccn12 253563980 344934742 /nfs/dbraw/zinc/93/47/42/344934742.db2.gz GABUBCAKRNBFLU-UHFFFAOYSA-N 0 0 196.641 1.449 10 0 ADAERN CC1(C)OC(c2ccccc2)NC1=O 253623579 344935058 /nfs/dbraw/zinc/93/50/58/344935058.db2.gz BBPLHTMCOYTVQL-UHFFFAOYSA-N 0 0 190.222 1.449 10 0 ADAERN C[C@H]1[C@H](C)CCC[C@H]1NC(N)=S 253624135 344935131 /nfs/dbraw/zinc/93/51/31/344935131.db2.gz KGIFCKMKYNGBIO-GJMOJQLCSA-N 0 0 186.324 1.644 10 0 ADAERN C[C@H]1CCC[N@H+](/C=C/C(=O)[O-])[C@H]1C 253631039 344935415 /nfs/dbraw/zinc/93/54/15/344935415.db2.gz FUOWMYPCMNUTQT-NHELSVQFSA-N 0 0 183.251 1.705 10 0 ADAERN O=CC=NNc1ccccc1 254393913 344936041 /nfs/dbraw/zinc/93/60/41/344936041.db2.gz YJOTYSZYWLJWBH-UHFFFAOYSA-N 0 0 148.165 1.283 10 0 ADAERN C[C@@H]1C[C@H]1c1ccc(/C=C\C(N)=O)o1 254737296 344936367 /nfs/dbraw/zinc/93/63/67/344936367.db2.gz MZPQEFGILAVWSC-VFRZGLIOSA-N 0 0 191.230 1.902 10 0 ADAERN C=CN(CCO)C(=O)OC(C)(C)C 256045959 344936800 /nfs/dbraw/zinc/93/68/00/344936800.db2.gz BWXHAJCSMJXVJY-UHFFFAOYSA-N 0 0 187.239 1.359 10 0 ADAERN C[C@H](O)C(=O)O[C@H]1CCCC[C@H]1C 256873862 344941116 /nfs/dbraw/zinc/94/11/16/344941116.db2.gz ZLMORGKRXPNOBO-VGMNWLOBSA-N 0 0 186.251 1.489 10 0 ADAERN C[C@@H]1C[C@H]2CCC[C@H]2OC1=O 257354193 344941936 /nfs/dbraw/zinc/94/19/36/344941936.db2.gz WGGIQUPRNHXWQO-BWZBUEFSSA-N 0 0 154.209 1.738 10 0 ADAERN OC[C@@H](F)Cc1ccccc1F 257811410 344942530 /nfs/dbraw/zinc/94/25/30/344942530.db2.gz BAGUQECDYGRUAJ-QMMMGPOBSA-N 0 0 172.174 1.699 10 0 ADAERN COc1ccccc1[C@@H]1COC(=O)C1 257828967 344942550 /nfs/dbraw/zinc/94/25/50/344942550.db2.gz IOUVCMMWAZAZEB-QMMMGPOBSA-N 0 0 192.214 1.726 10 0 ADAERN OCCCc1cnn(C2CCC2)c1 257827896 344942580 /nfs/dbraw/zinc/94/25/80/344942580.db2.gz HZSNDBCJMQNQMM-UHFFFAOYSA-N 0 0 180.251 1.533 10 0 ADAERN O=Cc1c2c(nn1C1CC1)CCCC2 257821922 344942602 /nfs/dbraw/zinc/94/26/02/344942602.db2.gz GDKNJJFIRAURJA-UHFFFAOYSA-N 0 0 190.246 1.909 10 0 ADAERN CC(C)[C@@H]1CC[C@H](C)[C@H](O)[C@@H]1O 257609908 344942643 /nfs/dbraw/zinc/94/26/43/344942643.db2.gz WQFGPARDTSBVLU-AATLWQCWSA-N 0 0 172.268 1.410 10 0 endogenous,in-man ADAERN OC[C@H](F)C1CCC1 257838654 344942679 /nfs/dbraw/zinc/94/26/79/344942679.db2.gz MXTXZSFKKWPQLV-LURJTMIESA-N 0 0 118.151 1.117 10 0 ADAERN O=Cc1c2c(nn1C1CC1)CCC2 257831107 344942702 /nfs/dbraw/zinc/94/27/02/344942702.db2.gz JMJWUPPEGQQBNA-UHFFFAOYSA-N 0 0 176.219 1.519 10 0 ADAERN OC[C@H](F)Cc1ccccc1F 257811409 344942705 /nfs/dbraw/zinc/94/27/05/344942705.db2.gz BAGUQECDYGRUAJ-MRVPVSSYSA-N 0 0 172.174 1.699 10 0 ADAERN OC[C@@H](F)C1CCC1 257838656 344942721 /nfs/dbraw/zinc/94/27/21/344942721.db2.gz MXTXZSFKKWPQLV-ZCFIWIBFSA-N 0 0 118.151 1.117 10 0 ADAERN FCc1ncc(Br)cn1 257841737 344943064 /nfs/dbraw/zinc/94/30/64/344943064.db2.gz MKQGQXODYDZYPA-UHFFFAOYSA-N 0 0 191.003 1.709 10 0 ADAERN CC(=O)C1(C(F)F)CC1 257874234 344943192 /nfs/dbraw/zinc/94/31/92/344943192.db2.gz YWJJZBFDLCCORP-UHFFFAOYSA-N 0 0 134.125 1.621 10 0 ADAERN Oc1ccccc1C1(O)CCC1 257907201 344943370 /nfs/dbraw/zinc/94/33/70/344943370.db2.gz FCDKAHCMDDWMPU-UHFFFAOYSA-N 0 0 164.204 1.764 10 0 ADAERN OC[C@@H](F)Cc1cccc(F)c1 257938657 344943557 /nfs/dbraw/zinc/94/35/57/344943557.db2.gz UPAWHVNXTVBZSO-VIFPVBQESA-N 0 0 172.174 1.699 10 0 ADAERN N[C@H]1[C@@H](c2ccccc2)C1(F)F 257952224 344943633 /nfs/dbraw/zinc/94/36/33/344943633.db2.gz FXVGAMZVVQSLJE-SFYZADRCSA-N 0 0 169.174 1.746 10 0 ADAERN c1ccn2c(-c3ccncc3)nnc2c1 258088092 344943724 /nfs/dbraw/zinc/94/37/24/344943724.db2.gz WLYIETMHLTVRCS-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN N[C@@H]1[C@H](c2ccccc2)C1(F)F 257952222 344943726 /nfs/dbraw/zinc/94/37/26/344943726.db2.gz FXVGAMZVVQSLJE-JGVFFNPUSA-N 0 0 169.174 1.746 10 0 ADAERN N[C@@H]1[C@@H](c2ccccc2)C1(F)F 257952218 344943808 /nfs/dbraw/zinc/94/38/08/344943808.db2.gz FXVGAMZVVQSLJE-HTQZYQBOSA-N 0 0 169.174 1.746 10 0 ADAERN N[C@H]1[C@H](c2ccccc2)C1(F)F 257952225 344943884 /nfs/dbraw/zinc/94/38/84/344943884.db2.gz FXVGAMZVVQSLJE-YUMQZZPRSA-N 0 0 169.174 1.746 10 0 ADAERN OC[C@H](F)Cc1cccc(F)c1 257938656 344943888 /nfs/dbraw/zinc/94/38/88/344943888.db2.gz UPAWHVNXTVBZSO-SECBINFHSA-N 0 0 172.174 1.699 10 0 ADAERN O[C@@H]1CCCn2cc(C3CC3)nc21 258356786 344944063 /nfs/dbraw/zinc/94/40/63/344944063.db2.gz LORACTQKQOOGHR-SECBINFHSA-N 0 0 178.235 1.588 10 0 ADAERN Cc1cn2c(n1)[C@H](CO)CCC2 258244093 344944084 /nfs/dbraw/zinc/94/40/84/344944084.db2.gz HJIHEAHKXBYIIO-QMMMGPOBSA-N 0 0 166.224 1.061 10 0 ADAERN [NH3+]Cc1ccc(C(=O)[O-])c(F)c1F 258203096 344944100 /nfs/dbraw/zinc/94/41/00/344944100.db2.gz YOEFSJWQDBLNHJ-UHFFFAOYSA-N 0 0 187.145 1.122 10 0 ADAERN C[C@@H](O)C1(C(F)F)CC1 258495142 344944228 /nfs/dbraw/zinc/94/42/28/344944228.db2.gz KMBZRKBMXOOBOF-SCSAIBSYSA-N 0 0 136.141 1.413 10 0 ADAERN COC(=O)C/C=C\c1ccccc1O 258174970 344944147 /nfs/dbraw/zinc/94/41/47/344944147.db2.gz LRAFMESMNIQFFQ-XQRVVYSFSA-N 0 0 192.214 1.969 10 0 ADAERN CCOCc1ccc(OC)cc1O 258150225 344944161 /nfs/dbraw/zinc/94/41/61/344944161.db2.gz PIIIBXYICAEPOJ-UHFFFAOYSA-N 0 0 182.219 1.937 10 0 ADAERN Cc1cccc(C[C@@H](F)CO)c1 258484254 344944176 /nfs/dbraw/zinc/94/41/76/344944176.db2.gz JLUWRJWSNUYSPJ-SNVBAGLBSA-N 0 0 168.211 1.868 10 0 ADAERN C[C@H](O)C1(C(F)F)CC1 258495135 344944180 /nfs/dbraw/zinc/94/41/80/344944180.db2.gz KMBZRKBMXOOBOF-BYPYZUCNSA-N 0 0 136.141 1.413 10 0 ADAERN Cc1nc(N)cc(C(F)F)n1 258524333 344944185 /nfs/dbraw/zinc/94/41/85/344944185.db2.gz MSZMSECTXPXZAT-UHFFFAOYSA-N 0 0 159.139 1.305 10 0 ADAERN O[C@H]1CCCn2cc(C3CC3)nc21 258356787 344944259 /nfs/dbraw/zinc/94/42/59/344944259.db2.gz LORACTQKQOOGHR-VIFPVBQESA-N 0 0 178.235 1.588 10 0 ADAERN Cc1cccc(C[C@H](F)CO)c1 258484253 344944293 /nfs/dbraw/zinc/94/42/93/344944293.db2.gz JLUWRJWSNUYSPJ-JTQLQIEISA-N 0 0 168.211 1.868 10 0 ADAERN CSCc1coc(C)n1 258198125 344944300 /nfs/dbraw/zinc/94/43/00/344944300.db2.gz NYHAUFXISOHXSO-UHFFFAOYSA-N 0 0 143.211 1.846 10 0 ADAERN CC(=O)C[C@@H]1Cc2ccccc2O1 258337104 344944313 /nfs/dbraw/zinc/94/43/13/344944313.db2.gz XNBMMRUFUJALHK-SNVBAGLBSA-N 0 0 176.215 1.969 10 0 ADAERN Cc1ccc(C[C@H](F)CO)cc1 258457274 344944314 /nfs/dbraw/zinc/94/43/14/344944314.db2.gz GRYWRTKUYQJYOL-JTQLQIEISA-N 0 0 168.211 1.868 10 0 ADAERN Cc1cn2c(n1)[C@@H](CO)CCC2 258244090 344944326 /nfs/dbraw/zinc/94/43/26/344944326.db2.gz HJIHEAHKXBYIIO-MRVPVSSYSA-N 0 0 166.224 1.061 10 0 ADAERN CC(=O)C[C@H]1Cc2ccccc2O1 258337102 344944363 /nfs/dbraw/zinc/94/43/63/344944363.db2.gz XNBMMRUFUJALHK-JTQLQIEISA-N 0 0 176.215 1.969 10 0 ADAERN COCc1cccc2c1CCN2 258486054 344944376 /nfs/dbraw/zinc/94/43/76/344944376.db2.gz JQNVYEHJWRYZDP-UHFFFAOYSA-N 0 0 163.220 1.801 10 0 ADAERN Cc1ccc(C[C@@H](F)CO)cc1 258457281 344944387 /nfs/dbraw/zinc/94/43/87/344944387.db2.gz GRYWRTKUYQJYOL-SNVBAGLBSA-N 0 0 168.211 1.868 10 0 ADAERN OCCCn1ccc2cccnc21 258229716 344944391 /nfs/dbraw/zinc/94/43/91/344944391.db2.gz YMFIMJDOCMBYBO-UHFFFAOYSA-N 0 0 176.219 1.419 10 0 ADAERN OC[C@H](F)C[C@H]1CCCCO1 258604543 344944618 /nfs/dbraw/zinc/94/46/18/344944618.db2.gz VGLXPGHSNNIUFD-HTQZYQBOSA-N 0 0 162.204 1.276 10 0 ADAERN OC[C@@H](F)C[C@@H]1CCCCO1 258604571 344944640 /nfs/dbraw/zinc/94/46/40/344944640.db2.gz VGLXPGHSNNIUFD-YUMQZZPRSA-N 0 0 162.204 1.276 10 0 ADAERN Cc1ccccc1C[C@H](F)CO 258563987 344944679 /nfs/dbraw/zinc/94/46/79/344944679.db2.gz QWKJZSSJELZLEX-JTQLQIEISA-N 0 0 168.211 1.868 10 0 ADAERN COCc1ccc2c(c1)NCC2 258552709 344944691 /nfs/dbraw/zinc/94/46/91/344944691.db2.gz PPVGAAVKCJCQAO-UHFFFAOYSA-N 0 0 163.220 1.801 10 0 ADAERN OC[C@H](F)C[C@@H]1CCCCO1 258604562 344944706 /nfs/dbraw/zinc/94/47/06/344944706.db2.gz VGLXPGHSNNIUFD-SFYZADRCSA-N 0 0 162.204 1.276 10 0 ADAERN C[C@@]1(CO)CCCC1(F)F 258607358 344944715 /nfs/dbraw/zinc/94/47/15/344944715.db2.gz VNFCYONDTFYBTA-LURJTMIESA-N 0 0 150.168 1.804 10 0 ADAERN C[C@]1(CO)CCCC1(F)F 258607362 344944792 /nfs/dbraw/zinc/94/47/92/344944792.db2.gz VNFCYONDTFYBTA-ZCFIWIBFSA-N 0 0 150.168 1.804 10 0 ADAERN OC[C@@H](F)C[C@@H]1CCCOC1 258615806 344944893 /nfs/dbraw/zinc/94/48/93/344944893.db2.gz WGDIEMQGSAHVMT-YUMQZZPRSA-N 0 0 162.204 1.134 10 0 ADAERN OC[C@H](F)C[C@@H]1CCCOC1 258615799 344944899 /nfs/dbraw/zinc/94/48/99/344944899.db2.gz WGDIEMQGSAHVMT-JGVFFNPUSA-N 0 0 162.204 1.134 10 0 ADAERN OC[C@H](F)C[C@H]1CCCOC1 258615795 344944914 /nfs/dbraw/zinc/94/49/14/344944914.db2.gz WGDIEMQGSAHVMT-HTQZYQBOSA-N 0 0 162.204 1.134 10 0 ADAERN Cc1ccccc1C[C@@H](F)CO 258563990 344944917 /nfs/dbraw/zinc/94/49/17/344944917.db2.gz QWKJZSSJELZLEX-SNVBAGLBSA-N 0 0 168.211 1.868 10 0 ADAERN OC[C@@H](F)C[C@H]1CCCOC1 258615803 344944938 /nfs/dbraw/zinc/94/49/38/344944938.db2.gz WGDIEMQGSAHVMT-SFYZADRCSA-N 0 0 162.204 1.134 10 0 ADAERN CCN(C)C(=O)C1CCC(=O)CC1 258692597 344945110 /nfs/dbraw/zinc/94/51/10/344945110.db2.gz DYXLMTZYQDECJY-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CN(CCc1ccc(F)cc1)C(N)=O 258690375 344945407 /nfs/dbraw/zinc/94/54/07/344945407.db2.gz MAVFZZNZYOYIDX-UHFFFAOYSA-N 0 0 196.225 1.379 10 0 ADAERN CCOC(=O)C(C)(C)NCC1CCC1 258672912 344945415 /nfs/dbraw/zinc/94/54/15/344945415.db2.gz BQADDCMYVKGOPO-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CCC(=O)[C@H](O)c1ccccc1F 258890456 344946253 /nfs/dbraw/zinc/94/62/53/344946253.db2.gz UEBKORNGFYWVOW-SNVBAGLBSA-N 0 0 182.194 1.838 10 0 ADAERN Cc1nc2n(c1CCO)CCCC2 258997856 344946690 /nfs/dbraw/zinc/94/66/90/344946690.db2.gz GPJMYENGBOAUKJ-UHFFFAOYSA-N 0 0 180.251 1.063 10 0 ADAERN CCCCNC(C)(C)C(=O)OCC 258989749 344946790 /nfs/dbraw/zinc/94/67/90/344946790.db2.gz PGDXNOHKCZVZAV-UHFFFAOYSA-N 0 0 187.283 1.718 10 0 ADAERN CNC(=O)c1ccc2nc(C)oc2c1 259023631 344947090 /nfs/dbraw/zinc/94/70/90/344947090.db2.gz AWEWJZOCGJXEAK-UHFFFAOYSA-N 0 0 190.202 1.496 10 0 ADAERN CNC(=O)c1ccc2oc(C)nc2c1 259070347 344947260 /nfs/dbraw/zinc/94/72/60/344947260.db2.gz FGABGZQQQXXKGU-UHFFFAOYSA-N 0 0 190.202 1.496 10 0 ADAERN CCS[C@@H](C(=O)OC)C(C)C 259172222 344947563 /nfs/dbraw/zinc/94/75/63/344947563.db2.gz HSXUOXXPCOHDOA-SSDOTTSWSA-N 0 0 176.281 1.937 10 0 ADAERN CCS[C@H](C(=O)OC)C(C)C 259172223 344947606 /nfs/dbraw/zinc/94/76/06/344947606.db2.gz HSXUOXXPCOHDOA-ZETCQYMHSA-N 0 0 176.281 1.937 10 0 ADAERN CC(C)C(=O)C1(C#N)CCC1 259322640 344948022 /nfs/dbraw/zinc/94/80/22/344948022.db2.gz XVQKJZOINIHOFJ-UHFFFAOYSA-N 0 0 151.209 1.905 10 0 ADAERN O=C1CCC(c2ncccn2)CC1 259273537 344948027 /nfs/dbraw/zinc/94/80/27/344948027.db2.gz SIPAXDGZVSZSPF-UHFFFAOYSA-N 0 0 176.219 1.703 10 0 ADAERN Cc1nc(C(C)C)sc1C(N)=O 259271526 344948199 /nfs/dbraw/zinc/94/81/99/344948199.db2.gz LIQKIIWXUFGJIR-UHFFFAOYSA-N 0 0 184.264 1.674 10 0 ADAERN CC(C)(O)c1c(O)cccc1F 259284115 344948210 /nfs/dbraw/zinc/94/82/10/344948210.db2.gz ALZTZVYVCRCLQB-UHFFFAOYSA-N 0 0 170.183 1.759 10 0 ADAERN CC(=O)N[C@@H](CO)c1sccc1C 259362970 344948494 /nfs/dbraw/zinc/94/84/94/344948494.db2.gz QGMRLCGQDKOSSC-QMMMGPOBSA-N 0 0 199.275 1.226 10 0 ADAERN COC(=O)[C@H]1CCCC12CC2 259466871 344949081 /nfs/dbraw/zinc/94/90/81/344949081.db2.gz AUVDBZRRMNGENR-SSDOTTSWSA-N 0 0 154.209 1.740 10 0 ADAERN CC(C)(O)CN1CCC(F)(F)C1 259511724 344949131 /nfs/dbraw/zinc/94/91/31/344949131.db2.gz OYGPVKDFNDFBEC-UHFFFAOYSA-N 0 0 179.210 1.098 10 0 ADAERN NC(=O)c1csc(C2CCC2)n1 259437677 344949136 /nfs/dbraw/zinc/94/91/36/344949136.db2.gz WMNKFGULDJPNRM-UHFFFAOYSA-N 0 0 182.248 1.510 10 0 ADAERN NC(=O)c1csc(C2CCCC2)n1 259474885 344949176 /nfs/dbraw/zinc/94/91/76/344949176.db2.gz ZVSFRJJWVOSDMP-UHFFFAOYSA-N 0 0 196.275 1.900 10 0 ADAERN COC(=O)[C@@H]1CCCC12CC2 259466875 344949167 /nfs/dbraw/zinc/94/91/67/344949167.db2.gz AUVDBZRRMNGENR-ZETCQYMHSA-N 0 0 154.209 1.740 10 0 ADAERN Nc1ccc(C[NH3+])cc1[S-] 259449188 344949190 /nfs/dbraw/zinc/94/91/90/344949190.db2.gz KJOCWNVTGZAJOW-UHFFFAOYSA-N 0 0 154.238 1.016 10 0 ADAERN Cc1ccc(C=O)c(N(C)C)c1 259500618 344949256 /nfs/dbraw/zinc/94/92/56/344949256.db2.gz QQKUBDBSCDIYHG-UHFFFAOYSA-N 0 0 163.220 1.874 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 259577598 344949702 /nfs/dbraw/zinc/94/97/02/344949702.db2.gz JVULLTWHNXNGSK-RNJXMRFFSA-N 0 0 154.209 1.596 10 0 ADAERN CCOC(=O)Cc1cc(C2CC2)no1 259602204 344949710 /nfs/dbraw/zinc/94/97/10/344949710.db2.gz CVPLNTAQBSJYTK-UHFFFAOYSA-N 0 0 195.218 1.658 10 0 ADAERN N#CCC[C@H]1CCC1=O 259642896 344950029 /nfs/dbraw/zinc/95/00/29/344950029.db2.gz PGNXCBMQXULVMY-LURJTMIESA-N 0 0 123.155 1.269 10 0 ADAERN CCOC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 259642708 344950046 /nfs/dbraw/zinc/95/00/46/344950046.db2.gz PFCPBGAQUVZGNJ-YIZRAAEISA-N 0 0 168.236 1.986 10 0 ADAERN N#CCC[C@@H]1CCC1=O 259642899 344950049 /nfs/dbraw/zinc/95/00/49/344950049.db2.gz PGNXCBMQXULVMY-ZCFIWIBFSA-N 0 0 123.155 1.269 10 0 ADAERN COC(=O)c1cc(C2CCC2)ncn1 259612336 344950079 /nfs/dbraw/zinc/95/00/79/344950079.db2.gz FBIGEKGWHBABEI-UHFFFAOYSA-N 0 0 192.218 1.531 10 0 ADAERN COC(=O)c1cc(C2CC2)ncn1 259616005 344950205 /nfs/dbraw/zinc/95/02/05/344950205.db2.gz FICAYGMMLVQRAF-UHFFFAOYSA-N 0 0 178.191 1.141 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2OCC[C@@H]2C1 259732493 344950396 /nfs/dbraw/zinc/95/03/96/344950396.db2.gz XPBUMYZOZXAGHS-HLTSFMKQSA-N 0 0 184.235 1.365 10 0 ADAERN Nc1ccccc1N1CC[C@@H](F)C1 259769129 344950406 /nfs/dbraw/zinc/95/04/06/344950406.db2.gz PPPXSCAVRTVOMS-MRVPVSSYSA-N 0 0 180.226 1.817 10 0 ADAERN Nc1ccccc1N1CC[C@H](F)C1 259769130 344950436 /nfs/dbraw/zinc/95/04/36/344950436.db2.gz PPPXSCAVRTVOMS-QMMMGPOBSA-N 0 0 180.226 1.817 10 0 ADAERN COC(=O)c1c[nH]nc1C1CCC1 259760596 344950521 /nfs/dbraw/zinc/95/05/21/344950521.db2.gz FQIFSLBAXKVGCS-UHFFFAOYSA-N 0 0 180.207 1.464 10 0 ADAERN OCCOc1ccc(C(F)F)cc1 259723438 344950572 /nfs/dbraw/zinc/95/05/72/344950572.db2.gz LYPXOTYVGBPDBO-UHFFFAOYSA-N 0 0 188.173 1.995 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2OCC[C@H]2C1 259732491 344950713 /nfs/dbraw/zinc/95/07/13/344950713.db2.gz XPBUMYZOZXAGHS-DJLDLDEBSA-N 0 0 184.235 1.365 10 0 ADAERN OCCOc1ccccc1C(F)F 259785447 344950960 /nfs/dbraw/zinc/95/09/60/344950960.db2.gz QUPAZTIAKNEYGW-UHFFFAOYSA-N 0 0 188.173 1.995 10 0 ADAERN CCOC(=O)c1cc(CC)nc(C)n1 259821993 344950993 /nfs/dbraw/zinc/95/09/93/344950993.db2.gz MWDSLEKPXQSUFC-UHFFFAOYSA-N 0 0 194.234 1.524 10 0 ADAERN CCc1cc(C(=O)OC)nc(C)n1 259845589 344951084 /nfs/dbraw/zinc/95/10/84/344951084.db2.gz QHFCNIYITODVNH-UHFFFAOYSA-N 0 0 180.207 1.134 10 0 ADAERN COC(=O)c1[nH]ccc1C1CC1 259827426 344951095 /nfs/dbraw/zinc/95/10/95/344951095.db2.gz NQLNNGRMXKJASI-UHFFFAOYSA-N 0 0 165.192 1.679 10 0 ADAERN COC(=O)Cc1cc(C2CC2)no1 259851280 344951142 /nfs/dbraw/zinc/95/11/42/344951142.db2.gz RBMUFRYFWSQTEG-UHFFFAOYSA-N 0 0 181.191 1.268 10 0 ADAERN CCOC(=O)c1cc(C2CC2)ncn1 259846857 344951162 /nfs/dbraw/zinc/95/11/62/344951162.db2.gz QLUMAXDNQGGZNE-UHFFFAOYSA-N 0 0 192.218 1.531 10 0 ADAERN OCCOc1cccc(C(F)F)c1 259848654 344951171 /nfs/dbraw/zinc/95/11/71/344951171.db2.gz WENUOQVPKYKOJV-UHFFFAOYSA-N 0 0 188.173 1.995 10 0 ADAERN CCOC(=O)[C@H](C)c1ccnn1C 259814917 344951179 /nfs/dbraw/zinc/95/11/79/344951179.db2.gz LYDNCNQFIRRMOV-SSDOTTSWSA-N 0 0 182.223 1.087 10 0 ADAERN CCOC(=O)[C@@H](C)c1ccnn1C 259814918 344951198 /nfs/dbraw/zinc/95/11/98/344951198.db2.gz LYDNCNQFIRRMOV-ZETCQYMHSA-N 0 0 182.223 1.087 10 0 ADAERN CCOC(=O)[C@H]1CCCOCC1 259888943 344951560 /nfs/dbraw/zinc/95/15/60/344951560.db2.gz WCGWIBPDUAPTJP-QMMMGPOBSA-N 0 0 172.224 1.366 10 0 ADAERN COC(=O)c1noc(C(C)C)c1C 259876343 344951476 /nfs/dbraw/zinc/95/14/76/344951476.db2.gz UUKPBXSWGRGXCF-UHFFFAOYSA-N 0 0 183.207 1.893 10 0 ADAERN CCOC(=O)[C@@H]1CCC1(C)C 259899908 344951496 /nfs/dbraw/zinc/95/14/96/344951496.db2.gz CMRWPTXSWKTPFB-ZETCQYMHSA-N 0 0 156.225 1.986 10 0 ADAERN CCOC(=O)[C@@H]1CCCOCC1 259888941 344951638 /nfs/dbraw/zinc/95/16/38/344951638.db2.gz WCGWIBPDUAPTJP-MRVPVSSYSA-N 0 0 172.224 1.366 10 0 ADAERN CCOC(=O)c1cnnc(C2CC2)c1 259914105 344951645 /nfs/dbraw/zinc/95/16/45/344951645.db2.gz YZUBXUQPIPXEAN-UHFFFAOYSA-N 0 0 192.218 1.531 10 0 ADAERN COC(=O)c1cc[nH]c1C1CC1 259901915 344951662 /nfs/dbraw/zinc/95/16/62/344951662.db2.gz XPKQTSXXXHDNHO-UHFFFAOYSA-N 0 0 165.192 1.679 10 0 ADAERN CCOC(=O)[C@H]1CCC1(C)C 259899907 344951663 /nfs/dbraw/zinc/95/16/63/344951663.db2.gz CMRWPTXSWKTPFB-SSDOTTSWSA-N 0 0 156.225 1.986 10 0 ADAERN COCc1cncc(C(=O)OC)c1 260021171 344951836 /nfs/dbraw/zinc/95/18/36/344951836.db2.gz FEOMEAPXAKSQGG-UHFFFAOYSA-N 0 0 181.191 1.015 10 0 ADAERN COC(=O)C[C@@H](C)c1nc(C)no1 260057095 344951898 /nfs/dbraw/zinc/95/18/98/344951898.db2.gz IFSLIRLNDJQSOD-RXMQYKEDSA-N 0 0 184.195 1.045 10 0 ADAERN COC(=O)c1ccc(C)c(F)c1O 259998035 344951980 /nfs/dbraw/zinc/95/19/80/344951980.db2.gz DSDHJBSFJFBZTI-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CCOC(=O)c1nccc(C)c1N 259960357 344952017 /nfs/dbraw/zinc/95/20/17/344952017.db2.gz DCUAVFHSXGZXMK-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN COC(=O)C[C@H](C)c1nc(C)no1 260057101 344952080 /nfs/dbraw/zinc/95/20/80/344952080.db2.gz IFSLIRLNDJQSOD-YFKPBYRVSA-N 0 0 184.195 1.045 10 0 ADAERN COC(=O)c1cnoc1CSC 260006924 344952113 /nfs/dbraw/zinc/95/21/13/344952113.db2.gz DEQZLWWRARFJEH-UHFFFAOYSA-N 0 0 187.220 1.324 10 0 ADAERN COC(=O)[C@H](C)N(C)c1ccccn1 260086021 344952131 /nfs/dbraw/zinc/95/21/31/344952131.db2.gz LCNHSMGZSMBVDN-QMMMGPOBSA-N 0 0 194.234 1.079 10 0 ADAERN COC(=O)c1cnc(CSC)cn1 260112918 344952336 /nfs/dbraw/zinc/95/23/36/344952336.db2.gz KFQZUQFJMGLQAS-UHFFFAOYSA-N 0 0 198.247 1.126 10 0 ADAERN COC(=O)c1c(C2CCC2)cnn1C 260207346 344952715 /nfs/dbraw/zinc/95/27/15/344952715.db2.gz CTEPMQRYPGQBCG-UHFFFAOYSA-N 0 0 194.234 1.474 10 0 ADAERN CCOC(=O)C1(CCF)CC1 260661077 344953353 /nfs/dbraw/zinc/95/33/53/344953353.db2.gz GGUMRNGGPGLAJW-UHFFFAOYSA-N 0 0 160.188 1.689 10 0 ADAERN CCOC(=O)C1=NO[C@@H](CC(C)C)C1 260375100 344952846 /nfs/dbraw/zinc/95/28/46/344952846.db2.gz DZXKMOSLFOXMCR-QMMMGPOBSA-N 0 0 199.250 1.741 10 0 ADAERN CCOC(=O)c1cncc(COC)c1 260316564 344952849 /nfs/dbraw/zinc/95/28/49/344952849.db2.gz XROITKHEUJZXSG-UHFFFAOYSA-N 0 0 195.218 1.405 10 0 ADAERN 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ADAERN CC[C@@H](C)[C@H](O)c1cc(C)n(C)n1 300832414 345003755 /nfs/dbraw/zinc/00/37/55/345003755.db2.gz FMDVMDFXTMTMKB-XCBNKYQSSA-N 0 0 182.267 1.808 10 0 ADAERN CC[C@H](C)[C@H](O)c1cc(C)n(C)n1 300832418 345003768 /nfs/dbraw/zinc/00/37/68/345003768.db2.gz FMDVMDFXTMTMKB-XVKPBYJWSA-N 0 0 182.267 1.808 10 0 ADAERN CCc1c(N)noc1C(C)(F)F 300831857 345003786 /nfs/dbraw/zinc/00/37/86/345003786.db2.gz CNXOZVUXCMALTE-UHFFFAOYSA-N 0 0 176.166 1.931 10 0 ADAERN CC[C@H](C)[C@@H](O)c1cc(C)n(C)n1 300832409 345003800 /nfs/dbraw/zinc/00/38/00/345003800.db2.gz FMDVMDFXTMTMKB-OIBJUYFYSA-N 0 0 182.267 1.808 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1CCOC[C@@H]1C 300836241 345004112 /nfs/dbraw/zinc/00/41/12/345004112.db2.gz IQXINDZTCRZONZ-VHSXEESVSA-N 0 0 197.278 1.494 10 0 ADAERN C[C@@H]1CC[C@H](Nc2cnnn2C)C1 300835771 345004139 /nfs/dbraw/zinc/00/41/39/345004139.db2.gz HYFWLZDUBPVIED-SFYZADRCSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H]1CC[C@H](Nc2cnnn2C)C1 300835772 345004153 /nfs/dbraw/zinc/00/41/53/345004153.db2.gz HYFWLZDUBPVIED-YUMQZZPRSA-N 0 0 180.255 1.416 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1CCOC[C@H]1C 300836238 345004156 /nfs/dbraw/zinc/00/41/56/345004156.db2.gz IQXINDZTCRZONZ-NXEZZACHSA-N 0 0 197.278 1.494 10 0 ADAERN Cc1cc(CO)nc(NC(C)C)n1 300837868 345004192 /nfs/dbraw/zinc/00/41/92/345004192.db2.gz GGPPCLTWAUOXOC-UHFFFAOYSA-N 0 0 181.239 1.098 10 0 ADAERN CCn1cc(-c2cncc(N)c2)cn1 300837307 345004245 /nfs/dbraw/zinc/00/42/45/345004245.db2.gz IEIOCKBQNUKPTG-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN C[C@H]1CC[C@@H](Nc2cnnn2C)C1 300835770 345004297 /nfs/dbraw/zinc/00/42/97/345004297.db2.gz HYFWLZDUBPVIED-JGVFFNPUSA-N 0 0 180.255 1.416 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CCOC[C@@H]1C 300836240 345004300 /nfs/dbraw/zinc/00/43/00/345004300.db2.gz IQXINDZTCRZONZ-UWVGGRQHSA-N 0 0 197.278 1.494 10 0 ADAERN CNc1nnc(CCC(C)(C)C)n1C 300835649 345004333 /nfs/dbraw/zinc/00/43/33/345004333.db2.gz IZADLUKTOGGIAL-UHFFFAOYSA-N 0 0 196.298 1.836 10 0 ADAERN CC[C@H]1C[N@@H+](/C=C/C(=O)[O-])CCCO1 300838660 345004352 /nfs/dbraw/zinc/00/43/52/345004352.db2.gz GIELWJMTIBYDHR-DNQSNQRASA-N 0 0 199.250 1.086 10 0 ADAERN C[C@@H]1CC[C@@H](Nc2cnnn2C)C1 300835769 345004386 /nfs/dbraw/zinc/00/43/86/345004386.db2.gz HYFWLZDUBPVIED-HTQZYQBOSA-N 0 0 180.255 1.416 10 0 ADAERN CCc1cc(NCC(N)=O)ccc1C 300836831 345004395 /nfs/dbraw/zinc/00/43/95/345004395.db2.gz DLUDWDALXRRTEN-UHFFFAOYSA-N 0 0 192.262 1.455 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CCOC[C@H]1C 300836243 345004406 /nfs/dbraw/zinc/00/44/06/345004406.db2.gz IQXINDZTCRZONZ-ZJUUUORDSA-N 0 0 197.278 1.494 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cc(C)n(C)n1 300844297 345004568 /nfs/dbraw/zinc/00/45/68/345004568.db2.gz HAYNDTRTLOEGHU-KOLCDFICSA-N 0 0 194.278 1.736 10 0 ADAERN Cc1cc([C@H](O)CC2CCC2)nn1C 300844310 345004621 /nfs/dbraw/zinc/00/46/21/345004621.db2.gz HBBYITVTWPIXEG-LLVKDONJSA-N 0 0 194.278 1.952 10 0 ADAERN CCC[C@H]1C[C@@]1(O)c1cc(C)n(C)n1 300844304 345004643 /nfs/dbraw/zinc/00/46/43/345004643.db2.gz HAYNDTRTLOEGHU-ONGXEEELSA-N 0 0 194.278 1.736 10 0 ADAERN Cc1cc([C@@H](O)CC2CCC2)nn1C 300844314 345004731 /nfs/dbraw/zinc/00/47/31/345004731.db2.gz HBBYITVTWPIXEG-NSHDSACASA-N 0 0 194.278 1.952 10 0 ADAERN NC(=O)[C@@H](O)C1CCCCCCC1 300845278 345004740 /nfs/dbraw/zinc/00/47/40/345004740.db2.gz KPUFGTTWEIRQBW-VIFPVBQESA-N 0 0 185.267 1.193 10 0 ADAERN CC(F)(F)c1cc(N)n[nH]1 300843783 345004756 /nfs/dbraw/zinc/00/47/56/345004756.db2.gz FSSMWFCUHWUSNL-UHFFFAOYSA-N 0 0 147.128 1.104 10 0 ADAERN NC(=O)[C@H](O)C1CCCCCCC1 300845276 345004795 /nfs/dbraw/zinc/00/47/95/345004795.db2.gz KPUFGTTWEIRQBW-SECBINFHSA-N 0 0 185.267 1.193 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cc(C)n(C)n1 300844301 345004838 /nfs/dbraw/zinc/00/48/38/345004838.db2.gz HAYNDTRTLOEGHU-MWLCHTKSSA-N 0 0 194.278 1.736 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1cc(C)n(C)n1 300844293 345004914 /nfs/dbraw/zinc/00/49/14/345004914.db2.gz HAYNDTRTLOEGHU-GXSJLCMTSA-N 0 0 194.278 1.736 10 0 ADAERN CCCc1ncc(N)c(C2CC2)n1 300844120 345004941 /nfs/dbraw/zinc/00/49/41/345004941.db2.gz KIEQGWAPASMJDH-UHFFFAOYSA-N 0 0 177.251 1.889 10 0 ADAERN C[C@H]1COCC[C@@H]1NC(=O)C(C)(C)C 300846156 345004974 /nfs/dbraw/zinc/00/49/74/345004974.db2.gz KUUQLIQILCVKSF-IUCAKERBSA-N 0 0 199.294 1.574 10 0 ADAERN CCO[C@H](C)c1ncc(C)c(N)n1 300847812 345005128 /nfs/dbraw/zinc/00/51/28/345005128.db2.gz ARUPLKVCXJOPOU-SSDOTTSWSA-N 0 0 181.239 1.465 10 0 ADAERN CC(C)C[C@H](C)[C@H]1CC(=O)N1 300848831 345005148 /nfs/dbraw/zinc/00/51/48/345005148.db2.gz FAYGNONRHGGUKY-JGVFFNPUSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1cnc([C@@H]2C[C@H]2C)nc1N 300850040 345005156 /nfs/dbraw/zinc/00/51/56/345005156.db2.gz AZIQVBWDFJUKNN-IYSWYEEDSA-N 0 0 163.224 1.491 10 0 ADAERN CC(C)C[C@H](C)[C@@H]1CC(=O)N1 300848836 345005173 /nfs/dbraw/zinc/00/51/73/345005173.db2.gz FAYGNONRHGGUKY-YUMQZZPRSA-N 0 0 155.241 1.557 10 0 ADAERN CCO[C@@H](C)c1ncc(C)c(N)n1 300847817 345005183 /nfs/dbraw/zinc/00/51/83/345005183.db2.gz ARUPLKVCXJOPOU-ZETCQYMHSA-N 0 0 181.239 1.465 10 0 ADAERN Cc1cc(-c2nc(Cl)no2)nn1C 300849018 345005215 /nfs/dbraw/zinc/00/52/15/345005215.db2.gz HPUVPHRGPKFRMW-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN CC(C)C[C@@H](C)[C@@H]1CC(=O)N1 300848833 345005245 /nfs/dbraw/zinc/00/52/45/345005245.db2.gz FAYGNONRHGGUKY-SFYZADRCSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)C[C@@H](C)[C@H]1CC(=O)N1 300848828 345005284 /nfs/dbraw/zinc/00/52/84/345005284.db2.gz FAYGNONRHGGUKY-HTQZYQBOSA-N 0 0 155.241 1.557 10 0 ADAERN CCc1c(N)n[nH]c1C(C)(F)F 300847140 345005286 /nfs/dbraw/zinc/00/52/86/345005286.db2.gz GIFPHBUOXWTSJB-UHFFFAOYSA-N 0 0 175.182 1.666 10 0 ADAERN Cc1cnc([C@H]2C[C@H]2C)nc1N 300850043 345005314 /nfs/dbraw/zinc/00/53/14/345005314.db2.gz AZIQVBWDFJUKNN-VDTYLAMSSA-N 0 0 163.224 1.491 10 0 ADAERN Cc1cnc([C@H]2C[C@@H]2C)nc1N 300850037 345005333 /nfs/dbraw/zinc/00/53/33/345005333.db2.gz AZIQVBWDFJUKNN-FSPLSTOPSA-N 0 0 163.224 1.491 10 0 ADAERN Cc1cc(NC/C=C/Cl)nn1C 300849175 345005354 /nfs/dbraw/zinc/00/53/54/345005354.db2.gz GUUVAUKXGCPURN-ONEGZZNKSA-N 0 0 185.658 1.893 10 0 ADAERN Cc1cc(NCC(F)F)nn1C 300850755 345005365 /nfs/dbraw/zinc/00/53/65/345005365.db2.gz HCCOVUJYNXBWCF-UHFFFAOYSA-N 0 0 175.182 1.406 10 0 ADAERN Cc1cnc([C@@H]2C[C@@H]2C)nc1N 300850034 345005381 /nfs/dbraw/zinc/00/53/81/345005381.db2.gz AZIQVBWDFJUKNN-CAHLUQPWSA-N 0 0 163.224 1.491 10 0 ADAERN COCc1ccc(NC(N)=S)cc1 300849399 345005385 /nfs/dbraw/zinc/00/53/85/345005385.db2.gz GXFMXEGZCHGMTI-UHFFFAOYSA-N 0 0 196.275 1.489 10 0 ADAERN Cc1cnc([C@@H]2CCCO2)nc1N 300849276 345005422 /nfs/dbraw/zinc/00/54/22/345005422.db2.gz AXOOXRVYRVCZEJ-ZETCQYMHSA-N 0 0 179.223 1.219 10 0 ADAERN Cc1cc(NCC(F)(F)F)nn1C 300847861 345005432 /nfs/dbraw/zinc/00/54/32/345005432.db2.gz GNYSAEQBXVGKJZ-UHFFFAOYSA-N 0 0 193.172 1.703 10 0 ADAERN Cc1cnc([C@H]2CCCO2)nc1N 300849272 345005434 /nfs/dbraw/zinc/00/54/34/345005434.db2.gz AXOOXRVYRVCZEJ-SSDOTTSWSA-N 0 0 179.223 1.219 10 0 ADAERN COC(C)(C)c1ncc(C)c(N)n1 300851788 345005745 /nfs/dbraw/zinc/00/57/45/345005745.db2.gz BFSOGPRQQDTKDS-UHFFFAOYSA-N 0 0 181.239 1.249 10 0 ADAERN Cc1cnc([C@H]2CC2(C)C)nc1N 300855184 345005821 /nfs/dbraw/zinc/00/58/21/345005821.db2.gz BRTBXNKFAFDILN-SSDOTTSWSA-N 0 0 177.251 1.881 10 0 ADAERN Cc1cnc(CC(C)(C)C)nc1N 300852982 345005877 /nfs/dbraw/zinc/00/58/77/345005877.db2.gz BJUDSDXUWABITA-UHFFFAOYSA-N 0 0 179.267 1.956 10 0 ADAERN Cc1cnc([C@@H]2CC2(C)C)nc1N 300855186 345005938 /nfs/dbraw/zinc/00/59/38/345005938.db2.gz BRTBXNKFAFDILN-ZETCQYMHSA-N 0 0 177.251 1.881 10 0 ADAERN CCn1ccc(-n2cc[nH]c2=S)n1 300853622 345005977 /nfs/dbraw/zinc/00/59/77/345005977.db2.gz HSDIPRWLURIFKM-UHFFFAOYSA-N 0 0 194.263 1.377 10 0 ADAERN Cc1cccnc1-n1nc(N)cc1C 300853085 345005982 /nfs/dbraw/zinc/00/59/82/345005982.db2.gz HQVUHQGKFLXALL-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Nc1nc([C@@H]2CCC(F)(F)C2)no1 300852155 345006008 /nfs/dbraw/zinc/00/60/08/345006008.db2.gz HWKZCRCEEHFWGQ-SCSAIBSYSA-N 0 0 189.165 1.555 10 0 ADAERN Cc1ccc(-n2nc(N)cc2C)nc1 300853105 345006025 /nfs/dbraw/zinc/00/60/25/345006025.db2.gz HRFFCDBNPVLKPE-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Nc1nc([C@H]2CCC(F)(F)C2)no1 300852151 345006061 /nfs/dbraw/zinc/00/60/61/345006061.db2.gz HWKZCRCEEHFWGQ-BYPYZUCNSA-N 0 0 189.165 1.555 10 0 ADAERN CCn1nncc1N[C@H]1CCSC1 300856659 345006307 /nfs/dbraw/zinc/00/63/07/345006307.db2.gz KGUUTDMYUALZCG-ZETCQYMHSA-N 0 0 198.295 1.215 10 0 ADAERN Cc1ccc2c(c1Cl)NC(=O)[C@@H]2O 300859805 345006318 /nfs/dbraw/zinc/00/63/18/345006318.db2.gz IUBSZFOISQUATI-MRVPVSSYSA-N 0 0 197.621 1.634 10 0 ADAERN C/C=C/CNc1cc(C)n(C)n1 300862209 345006393 /nfs/dbraw/zinc/00/63/93/345006393.db2.gz JENOIBJFQYTHGI-SNAWJCMRSA-N 0 0 165.240 1.717 10 0 ADAERN COCc1ccc(NC2COC2)cc1 300861539 345006406 /nfs/dbraw/zinc/00/64/06/345006406.db2.gz JCDRPMBUAXEKRO-UHFFFAOYSA-N 0 0 193.246 1.644 10 0 ADAERN CCn1nncc1N[C@@H]1CCSC1 300856654 345006447 /nfs/dbraw/zinc/00/64/47/345006447.db2.gz KGUUTDMYUALZCG-SSDOTTSWSA-N 0 0 198.295 1.215 10 0 ADAERN Cc1ccc2c(c1Cl)NC(=O)[C@H]2O 300859810 345006469 /nfs/dbraw/zinc/00/64/69/345006469.db2.gz IUBSZFOISQUATI-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN CCn1nncc1NCC1CCCC1 300861257 345006624 /nfs/dbraw/zinc/00/66/24/345006624.db2.gz KSQLGFPEKZCBLY-UHFFFAOYSA-N 0 0 194.282 1.900 10 0 ADAERN Cc1cc(N[C@H](C)C(F)F)nn1C 300859818 345006642 /nfs/dbraw/zinc/00/66/42/345006642.db2.gz IUDUEMIXCBMHRQ-ZCFIWIBFSA-N 0 0 189.209 1.794 10 0 ADAERN CCn1ccc(NC2CC2)n1 300860602 345006647 /nfs/dbraw/zinc/00/66/47/345006647.db2.gz IWPABQXRTAXTEA-UHFFFAOYSA-N 0 0 151.213 1.477 10 0 ADAERN Cc1cc(N[C@@H](C)C(F)F)nn1C 300859815 345006678 /nfs/dbraw/zinc/00/66/78/345006678.db2.gz IUDUEMIXCBMHRQ-LURJTMIESA-N 0 0 189.209 1.794 10 0 ADAERN C[C@H]1COCC[C@H]1C(=O)NC(C)(C)C 300865163 345006828 /nfs/dbraw/zinc/00/68/28/345006828.db2.gz OQUUWLNZERAJJO-DTWKUNHWSA-N 0 0 199.294 1.574 10 0 ADAERN Fc1cncc(N[C@@H]2CCOC2)c1 300864133 345006859 /nfs/dbraw/zinc/00/68/59/345006859.db2.gz JENZOKGMZOPGGZ-MRVPVSSYSA-N 0 0 182.198 1.422 10 0 ADAERN CC(C)C[C@@H](C)[C@@H]1CNC(=O)C1 300864271 345006869 /nfs/dbraw/zinc/00/68/69/345006869.db2.gz GVHHQLPJJXVCIR-BDAKNGLRSA-N 0 0 169.268 1.805 10 0 ADAERN Cn1nncc1NC1(C)CCCC1 300864937 345006872 /nfs/dbraw/zinc/00/68/72/345006872.db2.gz LCMCHDSGAMKQRK-UHFFFAOYSA-N 0 0 180.255 1.560 10 0 ADAERN Fc1cncc(N[C@H]2CCOC2)c1 300864136 345006977 /nfs/dbraw/zinc/00/69/77/345006977.db2.gz JENZOKGMZOPGGZ-QMMMGPOBSA-N 0 0 182.198 1.422 10 0 ADAERN Cn1nncc1N[C@@H]1CCCSC1 300864959 345007004 /nfs/dbraw/zinc/00/70/04/345007004.db2.gz LCVMLBHRSMNGSW-SSDOTTSWSA-N 0 0 198.295 1.123 10 0 ADAERN CC(C)C[C@H](C)[C@@H]1CNC(=O)C1 300864275 345007025 /nfs/dbraw/zinc/00/70/25/345007025.db2.gz GVHHQLPJJXVCIR-IUCAKERBSA-N 0 0 169.268 1.805 10 0 ADAERN CCn1ccc(N2CCC(=O)CC2)n1 300865893 345007052 /nfs/dbraw/zinc/00/70/52/345007052.db2.gz JUEOMSHFHCFFSC-UHFFFAOYSA-N 0 0 193.250 1.072 10 0 ADAERN CC(C)C[C@H](C)[C@H]1CNC(=O)C1 300864272 345007055 /nfs/dbraw/zinc/00/70/55/345007055.db2.gz GVHHQLPJJXVCIR-DTWKUNHWSA-N 0 0 169.268 1.805 10 0 ADAERN Cc1csc(-n2nc(N)cc2C)n1 300863781 345007141 /nfs/dbraw/zinc/00/71/41/345007141.db2.gz JLPREJRHVVBRTH-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN C[C@H]1COCC[C@@H]1C(=O)NC(C)(C)C 300865164 345007165 /nfs/dbraw/zinc/00/71/65/345007165.db2.gz OQUUWLNZERAJJO-IUCAKERBSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)C[C@@H](C)[C@H]1CNC(=O)C1 300864278 345007168 /nfs/dbraw/zinc/00/71/68/345007168.db2.gz GVHHQLPJJXVCIR-RKDXNWHRSA-N 0 0 169.268 1.805 10 0 ADAERN Cc1cnc(C(C)C)nc1CO 300862362 345007179 /nfs/dbraw/zinc/00/71/79/345007179.db2.gz CQFWLOBNVSLAAQ-UHFFFAOYSA-N 0 0 166.224 1.401 10 0 ADAERN CON[C@@H]1CCCC12CCOCC2 300869444 345007563 /nfs/dbraw/zinc/00/75/63/345007563.db2.gz DLINGVJZLCLODO-SECBINFHSA-N 0 0 185.267 1.487 10 0 ADAERN CCn1ccc(N[C@H]2CCSC2)n1 300870524 345007567 /nfs/dbraw/zinc/00/75/67/345007567.db2.gz KQKRMLHISSXOFC-QMMMGPOBSA-N 0 0 197.307 1.820 10 0 ADAERN CON[C@H]1CCCC12CCOCC2 300869447 345007608 /nfs/dbraw/zinc/00/76/08/345007608.db2.gz DLINGVJZLCLODO-VIFPVBQESA-N 0 0 185.267 1.487 10 0 ADAERN CCn1ccc(N[C@@H]2CCSC2)n1 300870522 345007725 /nfs/dbraw/zinc/00/77/25/345007725.db2.gz KQKRMLHISSXOFC-MRVPVSSYSA-N 0 0 197.307 1.820 10 0 ADAERN CCNC(=O)c1cc(C)nc(Cl)n1 300870025 345007774 /nfs/dbraw/zinc/00/77/74/345007774.db2.gz JWFMIAQTPLNFGK-UHFFFAOYSA-N 0 0 199.641 1.188 10 0 ADAERN COc1ccc(C)c(NC2COC2)c1 300867077 345007815 /nfs/dbraw/zinc/00/78/15/345007815.db2.gz JZZYCJPCANKTLB-UHFFFAOYSA-N 0 0 193.246 1.814 10 0 ADAERN Cc1c(N)noc1C(C)(F)F 300877269 345008160 /nfs/dbraw/zinc/00/81/60/345008160.db2.gz MAOGOGRFIWQCTH-UHFFFAOYSA-N 0 0 162.139 1.677 10 0 ADAERN CC[C@H](OC)c1ncc(C)c(N)n1 300876155 345008218 /nfs/dbraw/zinc/00/82/18/345008218.db2.gz FLSKUMPDTMNFCN-ZETCQYMHSA-N 0 0 181.239 1.465 10 0 ADAERN Cc1cc(-c2csc(N)n2)nn1C 300877734 345008268 /nfs/dbraw/zinc/00/82/68/345008268.db2.gz KXTOQLBFKUKHCV-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1cnc(C(C)(C)C)nc1CO 300876163 345008323 /nfs/dbraw/zinc/00/83/23/345008323.db2.gz FLXXUSABESOFAT-UHFFFAOYSA-N 0 0 180.251 1.575 10 0 ADAERN CC[C@@H](OC)c1ncc(C)c(N)n1 300876153 345008325 /nfs/dbraw/zinc/00/83/25/345008325.db2.gz FLSKUMPDTMNFCN-SSDOTTSWSA-N 0 0 181.239 1.465 10 0 ADAERN CC(C)[C@@H](O)C[C@@H]1CSCC1=O 300879177 345008602 /nfs/dbraw/zinc/00/86/02/345008602.db2.gz MKFYXEVDVSUJLU-SFYZADRCSA-N 0 0 188.292 1.326 10 0 ADAERN CC(C)[C@@H](O)C[C@H]1CSCC1=O 300879182 345008646 /nfs/dbraw/zinc/00/86/46/345008646.db2.gz MKFYXEVDVSUJLU-YUMQZZPRSA-N 0 0 188.292 1.326 10 0 ADAERN Nc1cc(F)c(-c2nc[nH]n2)c(F)c1 300881509 345008681 /nfs/dbraw/zinc/00/86/81/345008681.db2.gz LNKQHHUHETUCCQ-UHFFFAOYSA-N 0 0 196.160 1.332 10 0 ADAERN COc1cc(NCC(F)F)nn1C 300882412 345008687 /nfs/dbraw/zinc/00/86/87/345008687.db2.gz AIWVOPQVXDVROC-UHFFFAOYSA-N 0 0 191.181 1.106 10 0 ADAERN CC(C)[C@H](O)C[C@H]1CSCC1=O 300878628 345008703 /nfs/dbraw/zinc/00/87/03/345008703.db2.gz MKFYXEVDVSUJLU-JGVFFNPUSA-N 0 0 188.292 1.326 10 0 ADAERN Cc1cnc(C2(C)CC2)nc1N 300881988 345008723 /nfs/dbraw/zinc/00/87/23/345008723.db2.gz GFCBTJQAMHNEKK-UHFFFAOYSA-N 0 0 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300931002 345015013 /nfs/dbraw/zinc/01/50/13/345015013.db2.gz WAEHUBFEQDHTJO-UHFFFAOYSA-N 0 0 161.155 1.412 10 0 ADAERN CCn1nncc1NC1CC(C)C1 300933053 345015050 /nfs/dbraw/zinc/01/50/50/345015050.db2.gz MOIMQEVSIHYDLC-UHFFFAOYSA-N 0 0 180.255 1.508 10 0 ADAERN Cn1nncc1NCc1ccsc1 300932850 345015066 /nfs/dbraw/zinc/01/50/66/345015066.db2.gz MMUSMPUIYJSQED-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN CSCc1ncc(C)c(CO)n1 300930770 345015070 /nfs/dbraw/zinc/01/50/70/345015070.db2.gz MKFRMXAIBLKLAI-UHFFFAOYSA-N 0 0 184.264 1.140 10 0 ADAERN C[C@@H]1COCC[C@@]12[C@@H](CO)C2(C)C 300935157 345015521 /nfs/dbraw/zinc/01/55/21/345015521.db2.gz DGGSKNKERCEUEK-YWVKMMECSA-N 0 0 184.279 1.678 10 0 ADAERN O=C1CCN(c2cncc(F)c2)CC1 300937334 345015532 /nfs/dbraw/zinc/01/55/32/345015532.db2.gz JLVIOUBQGWKFGO-UHFFFAOYSA-N 0 0 194.209 1.390 10 0 ADAERN C[C@@H]1COCC[C@]12[C@H](CO)C2(C)C 300935145 345015597 /nfs/dbraw/zinc/01/55/97/345015597.db2.gz DGGSKNKERCEUEK-FXPVBKGRSA-N 0 0 184.279 1.678 10 0 ADAERN C[C@@H]1COCC[C@@]12[C@H](CO)C2(C)C 300935148 345015695 /nfs/dbraw/zinc/01/56/95/345015695.db2.gz DGGSKNKERCEUEK-KKZNHRDASA-N 0 0 184.279 1.678 10 0 ADAERN CCc1cc(NN)ccc1C 300935557 345015724 /nfs/dbraw/zinc/01/57/24/345015724.db2.gz WUAHSLODUIHDNW-UHFFFAOYSA-N 0 0 150.225 1.843 10 0 ADAERN C[C@@H]1COCC[C@]12[C@@H](CO)C2(C)C 300935153 345015731 /nfs/dbraw/zinc/01/57/31/345015731.db2.gz DGGSKNKERCEUEK-WCABBAIRSA-N 0 0 184.279 1.678 10 0 ADAERN CCCn1nncc1NC1CC=CC1 300940387 345015946 /nfs/dbraw/zinc/01/59/46/345015946.db2.gz NEIKMWYOVJAPIJ-UHFFFAOYSA-N 0 0 192.266 1.819 10 0 ADAERN Cc1cc(NCCF)nn1C 300937771 345016311 /nfs/dbraw/zinc/01/63/11/345016311.db2.gz XFWBCTKKERGGIC-UHFFFAOYSA-N 0 0 157.192 1.110 10 0 ADAERN COc1nc2ccc(N)cc2n1C 300937642 345016336 /nfs/dbraw/zinc/01/63/36/345016336.db2.gz OKRGPWPKBBAFEM-UHFFFAOYSA-N 0 0 177.207 1.164 10 0 ADAERN Cc1cccc(NCC(N)=O)c1F 300938595 345016362 /nfs/dbraw/zinc/01/63/62/345016362.db2.gz JQDSOGCOJXEFTB-UHFFFAOYSA-N 0 0 182.198 1.031 10 0 ADAERN CCC(C)(C)CNc1cnnn1C 300939271 345016365 /nfs/dbraw/zinc/01/63/65/345016365.db2.gz NBAFLKAKXNZVSZ-UHFFFAOYSA-N 0 0 182.271 1.663 10 0 ADAERN Cn1nncc1NC[C@@H]1CC1(C)C 300942704 345016604 /nfs/dbraw/zinc/01/66/04/345016604.db2.gz NLOMWJGSYUCLAM-ZETCQYMHSA-N 0 0 180.255 1.273 10 0 ADAERN Cc1cnc([C@H]2C[C@H]2C)nc1CO 300945206 345016581 /nfs/dbraw/zinc/01/65/81/345016581.db2.gz OGVAXOLLFDQJIH-SVRRBLITSA-N 0 0 178.235 1.401 10 0 ADAERN Cc1cc(-c2ccc[nH]2)ncc1N 300942822 345016593 /nfs/dbraw/zinc/01/65/93/345016593.db2.gz KJVPCTAMLSPZDP-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN C[C@@H]1COCC[C@@H]1c1csc(N)n1 300942005 345016637 /nfs/dbraw/zinc/01/66/37/345016637.db2.gz DSHUZMOWVKQRKN-RQJHMYQMSA-N 0 0 198.291 1.865 10 0 ADAERN C[C@H]1COCC[C@@H]1c1csc(N)n1 300941997 345016641 /nfs/dbraw/zinc/01/66/41/345016641.db2.gz DSHUZMOWVKQRKN-BQBZGAKWSA-N 0 0 198.291 1.865 10 0 ADAERN C[C@@H]1COCC[C@H]1c1csc(N)n1 300942002 345016646 /nfs/dbraw/zinc/01/66/46/345016646.db2.gz DSHUZMOWVKQRKN-RNFRBKRXSA-N 0 0 198.291 1.865 10 0 ADAERN CC[C@H](C)c1ncc(C)c(N)n1 300942912 345016691 /nfs/dbraw/zinc/01/66/91/345016691.db2.gz NZOGRMJIOPXOIX-LURJTMIESA-N 0 0 165.240 1.881 10 0 ADAERN Cc1cnc([C@H]2C[C@@H]2C)nc1CO 300945209 345016778 /nfs/dbraw/zinc/01/67/78/345016778.db2.gz OGVAXOLLFDQJIH-XPUUQOCRSA-N 0 0 178.235 1.401 10 0 ADAERN Fc1cncc(NC2=NCCS2)c1 300941836 345016799 /nfs/dbraw/zinc/01/67/99/345016799.db2.gz KFBCZBUKQFGRHZ-UHFFFAOYSA-N 0 0 197.238 1.735 10 0 ADAERN Cc1cc(NCCC2CC2)nn1C 300941445 345016820 /nfs/dbraw/zinc/01/68/20/345016820.db2.gz XXUKYECBVTXNDP-UHFFFAOYSA-N 0 0 179.267 1.941 10 0 ADAERN CC(=O)Nc1c(F)ccc(N)c1C 300941438 345016863 /nfs/dbraw/zinc/01/68/63/345016863.db2.gz NVRKQITWCOKDDH-UHFFFAOYSA-N 0 0 182.198 1.675 10 0 ADAERN Cc1cnc([C@@H]2C[C@@H]2C)nc1CO 300945204 345016874 /nfs/dbraw/zinc/01/68/74/345016874.db2.gz OGVAXOLLFDQJIH-POYBYMJQSA-N 0 0 178.235 1.401 10 0 ADAERN C[C@H]1COCC[C@H]1c1csc(N)n1 300941999 345016892 /nfs/dbraw/zinc/01/68/92/345016892.db2.gz DSHUZMOWVKQRKN-NKWVEPMBSA-N 0 0 198.291 1.865 10 0 ADAERN CC[C@@H](C)c1ncc(C)c(N)n1 300942914 345016908 /nfs/dbraw/zinc/01/69/08/345016908.db2.gz NZOGRMJIOPXOIX-ZCFIWIBFSA-N 0 0 165.240 1.881 10 0 ADAERN Cn1nncc1NC[C@H]1CC1(C)C 300942703 345016922 /nfs/dbraw/zinc/01/69/22/345016922.db2.gz NLOMWJGSYUCLAM-SSDOTTSWSA-N 0 0 180.255 1.273 10 0 ADAERN Cc1cnc(N2CCCCC2)nc1N 300947516 345017287 /nfs/dbraw/zinc/01/72/87/345017287.db2.gz OOTAYMJLCAKTEG-UHFFFAOYSA-N 0 0 192.266 1.358 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1ncc(Cl)n1C 300947500 345017218 /nfs/dbraw/zinc/01/72/18/345017218.db2.gz FDFVQQBEEWQUOJ-NKWVEPMBSA-N 0 0 198.653 1.766 10 0 ADAERN CC1(C)[C@H](CO)[C@H]1C1CC1 300948807 345017237 /nfs/dbraw/zinc/01/72/37/345017237.db2.gz GXTJGJXCOUOJPO-HTQZYQBOSA-N 0 0 140.226 1.661 10 0 ADAERN Cn1nncc1Oc1ccccc1O 300945862 345017245 /nfs/dbraw/zinc/01/72/45/345017245.db2.gz NRRLWRPBTFVXKR-UHFFFAOYSA-N 0 0 191.190 1.313 10 0 ADAERN Cc1ccsc1[C@H]1OC(=O)N=C1N 300947417 345017260 /nfs/dbraw/zinc/01/72/60/345017260.db2.gz FBSKESYXVGFVFM-RXMQYKEDSA-N 0 0 196.231 1.605 10 0 ADAERN CC1(C)[C@@H](C2CC2)[C@H]1CO 300948814 345017271 /nfs/dbraw/zinc/01/72/71/345017271.db2.gz GXTJGJXCOUOJPO-SFYZADRCSA-N 0 0 140.226 1.661 10 0 ADAERN Cc1ccsc1[C@@H]1OC(=O)N=C1N 300947419 345017276 /nfs/dbraw/zinc/01/72/76/345017276.db2.gz FBSKESYXVGFVFM-YFKPBYRVSA-N 0 0 196.231 1.605 10 0 ADAERN CCn1nncc1-c1cccc(O)c1 300948161 345017298 /nfs/dbraw/zinc/01/72/98/345017298.db2.gz WWHXXZKBXULGOI-UHFFFAOYSA-N 0 0 189.218 1.671 10 0 ADAERN Cc1cccc(NCC(N)=O)c1Cl 300948297 345017331 /nfs/dbraw/zinc/01/73/31/345017331.db2.gz ZBGHVMCMZMNXOP-UHFFFAOYSA-N 0 0 198.653 1.546 10 0 ADAERN Cc1ccc2c(c1F)NC[C@@H](O)C2 300948276 345017355 /nfs/dbraw/zinc/01/73/55/345017355.db2.gz LERVKGXMSFKVHP-QMMMGPOBSA-N 0 0 181.210 1.463 10 0 ADAERN Cc1ccc2c(c1F)NC[C@H](O)C2 300948271 345017386 /nfs/dbraw/zinc/01/73/86/345017386.db2.gz LERVKGXMSFKVHP-MRVPVSSYSA-N 0 0 181.210 1.463 10 0 ADAERN CC1(C)[C@@H](CO)[C@H]1C1CC1 300948810 345017394 /nfs/dbraw/zinc/01/73/94/345017394.db2.gz GXTJGJXCOUOJPO-JGVFFNPUSA-N 0 0 140.226 1.661 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1ncc(Cl)n1C 300947497 345017399 /nfs/dbraw/zinc/01/73/99/345017399.db2.gz FDFVQQBEEWQUOJ-BQBZGAKWSA-N 0 0 198.653 1.766 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1ncc(Cl)n1C 300947503 345017452 /nfs/dbraw/zinc/01/74/52/345017452.db2.gz FDFVQQBEEWQUOJ-RQJHMYQMSA-N 0 0 198.653 1.766 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1ncc(Cl)n1C 300947502 345017454 /nfs/dbraw/zinc/01/74/54/345017454.db2.gz FDFVQQBEEWQUOJ-RNFRBKRXSA-N 0 0 198.653 1.766 10 0 ADAERN Cc1cc(C(=O)CC(C)C)nn1C 300949628 345017638 /nfs/dbraw/zinc/01/76/38/345017638.db2.gz UAHXUPMYMZVSPJ-UHFFFAOYSA-N 0 0 180.251 1.957 10 0 ADAERN CC(F)(F)[C@H](N)Cc1ccccn1 300950954 345017652 /nfs/dbraw/zinc/01/76/52/345017652.db2.gz ZNUXYBGBMRTOFP-MRVPVSSYSA-N 0 0 186.205 1.607 10 0 ADAERN CC1(C)[C@@H](CO)[C@@H]1C1CC1 300948817 345017678 /nfs/dbraw/zinc/01/76/78/345017678.db2.gz GXTJGJXCOUOJPO-YUMQZZPRSA-N 0 0 140.226 1.661 10 0 ADAERN CC(F)(F)[C@@H](N)Cc1ccccn1 300950955 345017746 /nfs/dbraw/zinc/01/77/46/345017746.db2.gz ZNUXYBGBMRTOFP-QMMMGPOBSA-N 0 0 186.205 1.607 10 0 ADAERN NC1=NC(=O)O[C@@H]1c1ccc(F)cc1 300952472 345017775 /nfs/dbraw/zinc/01/77/75/345017775.db2.gz FNXJMZLYIDPUTC-SSDOTTSWSA-N 0 0 194.165 1.374 10 0 ADAERN NC1=NC(=O)O[C@H]1c1ccc(F)cc1 300952476 345017777 /nfs/dbraw/zinc/01/77/77/345017777.db2.gz FNXJMZLYIDPUTC-ZETCQYMHSA-N 0 0 194.165 1.374 10 0 ADAERN Nc1noc([C@@H]2CCC(F)(F)C2)n1 300954327 345018213 /nfs/dbraw/zinc/01/82/13/345018213.db2.gz HLIBQEIDMSJIJP-SCSAIBSYSA-N 0 0 189.165 1.555 10 0 ADAERN C[C@H]1COCC[C@@]1(N)C(F)(F)F 300956046 345018241 /nfs/dbraw/zinc/01/82/41/345018241.db2.gz FVLAMKSYRBEYCN-WDSKDSINSA-N 0 0 183.173 1.303 10 0 ADAERN C[C@H]1CCC[C@]12OC(=O)N=C2N 300956815 345018245 /nfs/dbraw/zinc/01/82/45/345018245.db2.gz FWZGRQPMRZGGEC-XNCJUZBTSA-N 0 0 168.196 1.053 10 0 ADAERN C[C@@H]1COCC[C@]1(N)C(F)(F)F 300956044 345018311 /nfs/dbraw/zinc/01/83/11/345018311.db2.gz FVLAMKSYRBEYCN-PHDIDXHHSA-N 0 0 183.173 1.303 10 0 ADAERN Cc1cc(-c2nnc(Cl)o2)nn1C 300957162 345018327 /nfs/dbraw/zinc/01/83/27/345018327.db2.gz UWQTUNYKCANWSS-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN CC(C)(CO)CNc1cncc(F)c1 300955401 345018339 /nfs/dbraw/zinc/01/83/39/345018339.db2.gz MNXKCTWBXIDRQR-UHFFFAOYSA-N 0 0 198.241 1.651 10 0 ADAERN Cc1cc(N)nn1-c1cncc(F)c1 300953616 345018341 /nfs/dbraw/zinc/01/83/41/345018341.db2.gz MFCCMRVIUSBMAB-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN Nc1noc([C@H]2CCC(F)(F)C2)n1 300954325 345018395 /nfs/dbraw/zinc/01/83/95/345018395.db2.gz HLIBQEIDMSJIJP-BYPYZUCNSA-N 0 0 189.165 1.555 10 0 ADAERN C[C@@H]1CCC[C@@]12OC(=O)N=C2N 300956814 345018409 /nfs/dbraw/zinc/01/84/09/345018409.db2.gz FWZGRQPMRZGGEC-SVGQVSJJSA-N 0 0 168.196 1.053 10 0 ADAERN C[C@@H]1COCC[C@H]1C1N=NC(=S)N1 300957626 345018418 /nfs/dbraw/zinc/01/84/18/345018418.db2.gz FYIVIPARDMVAPC-PHDIDXHHSA-N 0 0 199.279 1.233 10 0 ADAERN Cc1cnc(C2CCC2)nc1N 300955740 345018440 /nfs/dbraw/zinc/01/84/40/345018440.db2.gz PQEVEEWETNKLTL-UHFFFAOYSA-N 0 0 163.224 1.635 10 0 ADAERN C[C@@H]1COCC[C@@H]1C1N=NC(=S)N1 300957628 345018442 /nfs/dbraw/zinc/01/84/42/345018442.db2.gz FYIVIPARDMVAPC-RITPCOANSA-N 0 0 199.279 1.233 10 0 ADAERN C[C@H]1COCC[C@H]1C1N=NC(=S)N1 300957624 345018443 /nfs/dbraw/zinc/01/84/43/345018443.db2.gz FYIVIPARDMVAPC-NTSWFWBYSA-N 0 0 199.279 1.233 10 0 ADAERN C[C@@H]1COCC[C@@]1(N)C(F)(F)F 300956045 345018446 /nfs/dbraw/zinc/01/84/46/345018446.db2.gz FVLAMKSYRBEYCN-RITPCOANSA-N 0 0 183.173 1.303 10 0 ADAERN CCn1nncc1[C@@H](O)C1CCC1 300955559 345018474 /nfs/dbraw/zinc/01/84/74/345018474.db2.gz XVTWHGLFDQXKHG-VIFPVBQESA-N 0 0 181.239 1.132 10 0 ADAERN C[C@@H]1CCC[C@]12OC(=O)N=C2N 300956816 345018483 /nfs/dbraw/zinc/01/84/83/345018483.db2.gz FWZGRQPMRZGGEC-XRGYYRRGSA-N 0 0 168.196 1.053 10 0 ADAERN CCn1nncc1[C@H](O)C1CCC1 300955558 345018505 /nfs/dbraw/zinc/01/85/05/345018505.db2.gz XVTWHGLFDQXKHG-SECBINFHSA-N 0 0 181.239 1.132 10 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PEQBQTSOBHGWDN-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN C[C@@H]1COCC[C@@H]1c1nnc(N)s1 300962410 345019170 /nfs/dbraw/zinc/01/91/70/345019170.db2.gz GKAXEUHHUDKPHU-RITPCOANSA-N 0 0 199.279 1.260 10 0 ADAERN CCCn1nncc1N[C@@H]1CC1(C)C 300959354 345019174 /nfs/dbraw/zinc/01/91/74/345019174.db2.gz PGFKWXCWSFPPEL-MRVPVSSYSA-N 0 0 194.282 1.899 10 0 ADAERN Cn1nncc1NC[C@H]1CCCS1 300959424 345019179 /nfs/dbraw/zinc/01/91/79/345019179.db2.gz PIBDVPXEHAHCSG-SSDOTTSWSA-N 0 0 198.295 1.123 10 0 ADAERN NC1=NC(=O)O[C@H]1c1ccsc1 300960305 345019188 /nfs/dbraw/zinc/01/91/88/345019188.db2.gz GFKQATNQLDEOOQ-YFKPBYRVSA-N 0 0 182.204 1.297 10 0 ADAERN Cc1nc([C@@H]2OC(=O)N=C2N)cs1 300963211 345019294 /nfs/dbraw/zinc/01/92/94/345019294.db2.gz GMRUEXBFATXMQW-YFKPBYRVSA-N 0 0 197.219 1.000 10 0 ADAERN CSCc1ncc(C)c(N)n1 300966015 345019322 /nfs/dbraw/zinc/01/93/22/345019322.db2.gz RFIBVETVSPMOFA-UHFFFAOYSA-N 0 0 169.253 1.230 10 0 ADAERN Cc1cnc(C2CCC2)nc1CO 300964719 345019325 /nfs/dbraw/zinc/01/93/25/345019325.db2.gz RAEBMQCFIMCJIT-UHFFFAOYSA-N 0 0 178.235 1.545 10 0 ADAERN Cc1cc(-c2ccc(CO)o2)nn1C 300963708 345019376 /nfs/dbraw/zinc/01/93/76/345019376.db2.gz OCDZJCTUUMCMML-UHFFFAOYSA-N 0 0 192.218 1.481 10 0 ADAERN C[C@H]1COCC[C@H]1c1nc(N)ns1 300964889 345019382 /nfs/dbraw/zinc/01/93/82/345019382.db2.gz GPWOALWXTHCBOO-NTSWFWBYSA-N 0 0 199.279 1.260 10 0 ADAERN C[C@@H]1COCC[C@H]1c1nc(N)ns1 300964890 345019402 /nfs/dbraw/zinc/01/94/02/345019402.db2.gz GPWOALWXTHCBOO-PHDIDXHHSA-N 0 0 199.279 1.260 10 0 ADAERN Nc1nnc([C@@H]2CCC(F)(F)C2)o1 300966007 345019415 /nfs/dbraw/zinc/01/94/15/345019415.db2.gz IUABAOJVWMAGER-SCSAIBSYSA-N 0 0 189.165 1.555 10 0 ADAERN Nc1nnc([C@H]2CCC(F)(F)C2)o1 300966005 345019452 /nfs/dbraw/zinc/01/94/52/345019452.db2.gz IUABAOJVWMAGER-BYPYZUCNSA-N 0 0 189.165 1.555 10 0 ADAERN C[C@H]1COCC[C@@H]1c1nnc(N)s1 300962412 345019447 /nfs/dbraw/zinc/01/94/47/345019447.db2.gz GKAXEUHHUDKPHU-WDSKDSINSA-N 0 0 199.279 1.260 10 0 ADAERN C[C@@H]1COCC[C@@H]1c1nc(N)ns1 300964891 345019454 /nfs/dbraw/zinc/01/94/54/345019454.db2.gz GPWOALWXTHCBOO-RITPCOANSA-N 0 0 199.279 1.260 10 0 ADAERN C[C@H]1COCC[C@@H]1c1nc(N)ns1 300964892 345019470 /nfs/dbraw/zinc/01/94/70/345019470.db2.gz GPWOALWXTHCBOO-WDSKDSINSA-N 0 0 199.279 1.260 10 0 ADAERN Cc1nc([C@H]2OC(=O)N=C2N)cs1 300963210 345019501 /nfs/dbraw/zinc/01/95/01/345019501.db2.gz GMRUEXBFATXMQW-RXMQYKEDSA-N 0 0 197.219 1.000 10 0 ADAERN C[C@@H]1COCC[C@H]1N1CN=NC1=S 300971656 345019818 /nfs/dbraw/zinc/01/98/18/345019818.db2.gz HFXMLAGDTQSXLU-RNFRBKRXSA-N 0 0 199.279 1.164 10 0 ADAERN CC1(C)[C@@H](CO)[C@H]1C1CCOCC1 300967520 345019840 /nfs/dbraw/zinc/01/98/40/345019840.db2.gz IXGAMIXSOUULMP-VHSXEESVSA-N 0 0 184.279 1.678 10 0 ADAERN C[C@@H]1COCC[C@@H]1Nc1nccs1 300967830 345019851 /nfs/dbraw/zinc/01/98/51/345019851.db2.gz GWLBBERYYLNHBR-SFYZADRCSA-N 0 0 198.291 1.980 10 0 ADAERN C[C@H]1COCC[C@H]1Nc1nccs1 300967828 345019856 /nfs/dbraw/zinc/01/98/56/345019856.db2.gz GWLBBERYYLNHBR-JGVFFNPUSA-N 0 0 198.291 1.980 10 0 ADAERN CC1(C)[C@H](CO)[C@H]1C1CCOCC1 300967518 345019867 /nfs/dbraw/zinc/01/98/67/345019867.db2.gz IXGAMIXSOUULMP-NXEZZACHSA-N 0 0 184.279 1.678 10 0 ADAERN C[C@H]1COCC[C@H]1N1CN=NC1=S 300971653 345019880 /nfs/dbraw/zinc/01/98/80/345019880.db2.gz HFXMLAGDTQSXLU-NKWVEPMBSA-N 0 0 199.279 1.164 10 0 ADAERN CCn1nncc1NC1CCCC1 300969860 345019891 /nfs/dbraw/zinc/01/98/91/345019891.db2.gz QOOURVZJOMEBAI-UHFFFAOYSA-N 0 0 180.255 1.653 10 0 ADAERN CC1(C)[C@@H](C2CCOCC2)[C@H]1CO 300967521 345019896 /nfs/dbraw/zinc/01/98/96/345019896.db2.gz IXGAMIXSOUULMP-ZJUUUORDSA-N 0 0 184.279 1.678 10 0 ADAERN C[C@H]1COCC[C@@H]1N1CN=NC1=S 300971650 345019897 /nfs/dbraw/zinc/01/98/97/345019897.db2.gz HFXMLAGDTQSXLU-BQBZGAKWSA-N 0 0 199.279 1.164 10 0 ADAERN C[C@H]1COCC[C@@H]1Nc1nccs1 300967833 345019904 /nfs/dbraw/zinc/01/99/04/345019904.db2.gz GWLBBERYYLNHBR-YUMQZZPRSA-N 0 0 198.291 1.980 10 0 ADAERN CC1(C)[C@@H](CO)[C@@H]1C1CCOCC1 300967519 345019913 /nfs/dbraw/zinc/01/99/13/345019913.db2.gz IXGAMIXSOUULMP-UWVGGRQHSA-N 0 0 184.279 1.678 10 0 ADAERN C[C@@H]1COCC[C@@H]1N1CN=NC1=S 300971659 345019915 /nfs/dbraw/zinc/01/99/15/345019915.db2.gz HFXMLAGDTQSXLU-RQJHMYQMSA-N 0 0 199.279 1.164 10 0 ADAERN Cc1cnc(-c2cncs2)nc1N 300976172 345020190 /nfs/dbraw/zinc/02/01/90/345020190.db2.gz SSABDHVREQCARV-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cn1nncc1NC(C)(C)C1CC1 300975852 345020264 /nfs/dbraw/zinc/02/02/64/345020264.db2.gz RHNUPKYLWCIYKG-UHFFFAOYSA-N 0 0 180.255 1.416 10 0 ADAERN Nc1n[nH]c([C@@H]2CCC(F)(F)C2)n1 300972250 345020299 /nfs/dbraw/zinc/02/02/99/345020299.db2.gz JJZAXSJQXHDJFM-SCSAIBSYSA-N 0 0 188.181 1.290 10 0 ADAERN CCC1(CC)OC(=O)N=C1N 300974732 345020320 /nfs/dbraw/zinc/02/03/20/345020320.db2.gz HMMUCIDJOWDSKO-UHFFFAOYSA-N 0 0 156.185 1.053 10 0 ADAERN Cc1ncc(CO)c(OC2CCC2)n1 300973500 345020380 /nfs/dbraw/zinc/02/03/80/345020380.db2.gz XKNMJTUWTHIXFZ-UHFFFAOYSA-N 0 0 194.234 1.209 10 0 ADAERN Fc1cncc(N2CN=NC2=S)c1 300975948 345020402 /nfs/dbraw/zinc/02/04/02/345020402.db2.gz QPZKTZBDVHIWAY-UHFFFAOYSA-N 0 0 196.210 1.090 10 0 ADAERN Nc1n[nH]c([C@H]2CCC(F)(F)C2)n1 300972249 345020565 /nfs/dbraw/zinc/02/05/65/345020565.db2.gz JJZAXSJQXHDJFM-BYPYZUCNSA-N 0 0 188.181 1.290 10 0 ADAERN C[C@H]1CCC[C@H](Nc2cnnn2C)C1 300979262 345020667 /nfs/dbraw/zinc/02/06/67/345020667.db2.gz RUKFZSNBAUSKFV-IUCAKERBSA-N 0 0 194.282 1.806 10 0 ADAERN CC(C)(C)Nc1ncncc1CO 300977612 345020673 /nfs/dbraw/zinc/02/06/73/345020673.db2.gz XWTMFBFCCXQUIL-UHFFFAOYSA-N 0 0 181.239 1.179 10 0 ADAERN CC[C@H]1CC[C@@]2(C1)OC(=O)N=C2N 300979521 345020821 /nfs/dbraw/zinc/02/08/21/345020821.db2.gz HZIFUOVPBCRGDG-RCOVLWMOSA-N 0 0 182.223 1.443 10 0 ADAERN Cc1cc(-c2nccn2C)ncc1N 300979530 345020685 /nfs/dbraw/zinc/02/06/85/345020685.db2.gz ROZANKSHAXZALS-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cc1nccc([C@@H]2[C@H](CO)C2(C)C)n1 300979280 345020691 /nfs/dbraw/zinc/02/06/91/345020691.db2.gz KFXUYYBUFKIEHU-WPRPVWTQSA-N 0 0 192.262 1.517 10 0 ADAERN C[C@@H]1CCC[C@H](Nc2cnnn2C)C1 300979254 345020698 /nfs/dbraw/zinc/02/06/98/345020698.db2.gz RUKFZSNBAUSKFV-BDAKNGLRSA-N 0 0 194.282 1.806 10 0 ADAERN COc1cc(NC2=NCCC2)nn1C 300977380 345020703 /nfs/dbraw/zinc/02/07/03/345020703.db2.gz RCPJPRZBEMYZRE-UHFFFAOYSA-N 0 0 194.238 1.033 10 0 ADAERN CC[C@@H]1CC[C@]2(C1)OC(=O)N=C2N 300979515 345020707 /nfs/dbraw/zinc/02/07/07/345020707.db2.gz HZIFUOVPBCRGDG-HZGVNTEJSA-N 0 0 182.223 1.443 10 0 ADAERN C[C@H]1CCC[C@@H](Nc2cnnn2C)C1 300979258 345020724 /nfs/dbraw/zinc/02/07/24/345020724.db2.gz RUKFZSNBAUSKFV-DTWKUNHWSA-N 0 0 194.282 1.806 10 0 ADAERN C[C@@H]1CCC[C@@H](Nc2cnnn2C)C1 300979266 345020728 /nfs/dbraw/zinc/02/07/28/345020728.db2.gz RUKFZSNBAUSKFV-RKDXNWHRSA-N 0 0 194.282 1.806 10 0 ADAERN Cc1nccc([C@@H]2[C@@H](CO)C2(C)C)n1 300979272 345020740 /nfs/dbraw/zinc/02/07/40/345020740.db2.gz KFXUYYBUFKIEHU-SCZZXKLOSA-N 0 0 192.262 1.517 10 0 ADAERN Cc1nccc([C@H]2[C@H](CO)C2(C)C)n1 300979276 345020752 /nfs/dbraw/zinc/02/07/52/345020752.db2.gz KFXUYYBUFKIEHU-WCBMZHEXSA-N 0 0 192.262 1.517 10 0 ADAERN Cn1nncc1N[C@H]1CC[C@H](C)CC1 300978667 345020793 /nfs/dbraw/zinc/02/07/93/345020793.db2.gz RSNLOXPTKKVNNL-KYZUINATSA-N 0 0 194.282 1.806 10 0 ADAERN Nc1[nH]c(=O)oc1C1CCCC1 300976377 345020810 /nfs/dbraw/zinc/02/08/10/345020810.db2.gz HRCSHFBZQRKWNA-LURJTMIESA-N 0 0 168.196 1.053 10 0 ADAERN Cc1c(N)ccc(F)c1NC(N)=O 300978750 345020850 /nfs/dbraw/zinc/02/08/50/345020850.db2.gz TWLUTMXYLDVIML-UHFFFAOYSA-N 0 0 183.186 1.207 10 0 ADAERN Cc1nccc([C@H]2[C@@H](CO)C2(C)C)n1 300979268 345020910 /nfs/dbraw/zinc/02/09/10/345020910.db2.gz KFXUYYBUFKIEHU-PSASIEDQSA-N 0 0 192.262 1.517 10 0 ADAERN Nc1[nH]c(=O)oc1C1CCCC1 300976379 345020914 /nfs/dbraw/zinc/02/09/14/345020914.db2.gz HRCSHFBZQRKWNA-ZCFIWIBFSA-N 0 0 168.196 1.053 10 0 ADAERN CC[C@@H]1CC[C@@]2(C1)OC(=O)N=C2N 300979519 345020977 /nfs/dbraw/zinc/02/09/77/345020977.db2.gz HZIFUOVPBCRGDG-MUWHJKNJSA-N 0 0 182.223 1.443 10 0 ADAERN Cc1cccc(NC2COC2)c1F 300981843 345021448 /nfs/dbraw/zinc/02/14/48/345021448.db2.gz SCPFEKWEYNKFAL-UHFFFAOYSA-N 0 0 181.210 1.945 10 0 ADAERN Cc1cnc([C@]2(C)CCCO2)nc1N 300980243 345021484 /nfs/dbraw/zinc/02/14/84/345021484.db2.gz UDFWSUARHUSGML-JTQLQIEISA-N 0 0 193.250 1.393 10 0 ADAERN CC1(C)[C@H](CO)[C@H]1c1cccnc1 300982827 345021495 /nfs/dbraw/zinc/02/14/95/345021495.db2.gz KSEQGKWLPLAQKT-NXEZZACHSA-N 0 0 177.247 1.814 10 0 ADAERN Cc1cnc([C@@]2(C)CCCO2)nc1N 300980246 345021506 /nfs/dbraw/zinc/02/15/06/345021506.db2.gz UDFWSUARHUSGML-SNVBAGLBSA-N 0 0 193.250 1.393 10 0 ADAERN CC1(C)[C@@H](c2cccnc2)[C@H]1CO 300982832 345021618 /nfs/dbraw/zinc/02/16/18/345021618.db2.gz KSEQGKWLPLAQKT-ZJUUUORDSA-N 0 0 177.247 1.814 10 0 ADAERN Nc1cncc(Cc2ccncc2)c1 300982248 345021628 /nfs/dbraw/zinc/02/16/28/345021628.db2.gz SDHYZBNDSJBPJJ-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN CCn1cc([C@@H]2[C@H](CO)C2(C)C)cn1 300980717 345021650 /nfs/dbraw/zinc/02/16/50/345021650.db2.gz KLDJCXVUSYWPIF-VHSXEESVSA-N 0 0 194.278 1.635 10 0 ADAERN CCn1cc([C@@H]2[C@@H](CO)C2(C)C)cn1 300980715 345021655 /nfs/dbraw/zinc/02/16/55/345021655.db2.gz KLDJCXVUSYWPIF-NXEZZACHSA-N 0 0 194.278 1.635 10 0 ADAERN CC1(C)[C@@H](CO)[C@@H]1c1cccnc1 300982829 345021682 /nfs/dbraw/zinc/02/16/82/345021682.db2.gz KSEQGKWLPLAQKT-UWVGGRQHSA-N 0 0 177.247 1.814 10 0 ADAERN Nc1cncc(-c2cnccn2)c1 300982999 345021690 /nfs/dbraw/zinc/02/16/90/345021690.db2.gz SGVNWPRIJDTJIS-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN CC1(C)[C@@H](CO)[C@H]1c1cccnc1 300982830 345021715 /nfs/dbraw/zinc/02/17/15/345021715.db2.gz KSEQGKWLPLAQKT-VHSXEESVSA-N 0 0 177.247 1.814 10 0 ADAERN Cc1ccc2c(NN)ccnc2c1F 300981870 345021722 /nfs/dbraw/zinc/02/17/22/345021722.db2.gz SEGGNYVIRFUEAB-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN CCn1cc([C@H]2[C@H](CO)C2(C)C)cn1 300980716 345021738 /nfs/dbraw/zinc/02/17/38/345021738.db2.gz KLDJCXVUSYWPIF-UWVGGRQHSA-N 0 0 194.278 1.635 10 0 ADAERN CCn1nncc1NC1(C)CCC1 300981573 345021783 /nfs/dbraw/zinc/02/17/83/345021783.db2.gz SCOPCKFAKKBGTD-UHFFFAOYSA-N 0 0 180.255 1.653 10 0 ADAERN Cn1nncc1N[C@H]1CC=CCC1 300986134 345021973 /nfs/dbraw/zinc/02/19/73/345021973.db2.gz STDKVEMHOVWLNY-QMMMGPOBSA-N 0 0 178.239 1.336 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]12OC(=O)N=C2N 300986906 345021999 /nfs/dbraw/zinc/02/19/99/345021999.db2.gz IWTLOFYWOJOJMJ-QUBYGPBYSA-N 0 0 196.250 1.689 10 0 ADAERN OC1CN(C[C@@H]2CCC(F)(F)C2)C1 300984879 345022009 /nfs/dbraw/zinc/02/20/09/345022009.db2.gz SNGIUVLAYBQYKN-SSDOTTSWSA-N 0 0 191.221 1.098 10 0 ADAERN Cc1ccn(Cc2ccco2)c(=O)n1 300985481 345022060 /nfs/dbraw/zinc/02/20/60/345022060.db2.gz ZFQOQOVTGXLYME-UHFFFAOYSA-N 0 0 190.202 1.193 10 0 ADAERN CCOC(=O)/C(C)=C1/CCOC[C@H]1C 300986897 345022073 /nfs/dbraw/zinc/02/20/73/345022073.db2.gz IWRACJCZSYNJKT-SREPSJJZSA-N 0 0 198.262 1.922 10 0 ADAERN OC1CN(C[C@H]2CCC(F)(F)C2)C1 300984882 345022080 /nfs/dbraw/zinc/02/20/80/345022080.db2.gz SNGIUVLAYBQYKN-ZETCQYMHSA-N 0 0 191.221 1.098 10 0 ADAERN CCOC(=O)/C(C)=C1/CCOC[C@@H]1C 300986894 345022087 /nfs/dbraw/zinc/02/20/87/345022087.db2.gz IWRACJCZSYNJKT-HHHOFRBGSA-N 0 0 198.262 1.922 10 0 ADAERN Cc1ccc2c(c1F)NC(=O)[C@H]2O 300984712 345022150 /nfs/dbraw/zinc/02/21/50/345022150.db2.gz SVCUSVJFWZAERM-QMMMGPOBSA-N 0 0 181.166 1.120 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]12OC(=O)N=C2N 300986900 345022190 /nfs/dbraw/zinc/02/21/90/345022190.db2.gz IWTLOFYWOJOJMJ-LDWIPMOCSA-N 0 0 196.250 1.689 10 0 ADAERN Cn1nncc1N[C@@H]1CC=CCC1 300986131 345022194 /nfs/dbraw/zinc/02/21/94/345022194.db2.gz STDKVEMHOVWLNY-MRVPVSSYSA-N 0 0 178.239 1.336 10 0 ADAERN CC[C@@H](C)c1ncc(C)c(CO)n1 300985846 345022219 /nfs/dbraw/zinc/02/22/19/345022219.db2.gz VAFPYKWNNIJNRW-SSDOTTSWSA-N 0 0 180.251 1.791 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@]12OC(=O)N=C2N 300986903 345022227 /nfs/dbraw/zinc/02/22/27/345022227.db2.gz IWTLOFYWOJOJMJ-LHLIQPBNSA-N 0 0 196.250 1.689 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]12OC(=O)N=C2N 300986910 345022263 /nfs/dbraw/zinc/02/22/63/345022263.db2.gz IWTLOFYWOJOJMJ-WKEGUHRASA-N 0 0 196.250 1.689 10 0 ADAERN Cc1ccc2c(c1F)NC(=O)[C@@H]2O 300984709 345022293 /nfs/dbraw/zinc/02/22/93/345022293.db2.gz SVCUSVJFWZAERM-MRVPVSSYSA-N 0 0 181.166 1.120 10 0 ADAERN CC[C@H](C)c1ncc(C)c(CO)n1 300985847 345022304 /nfs/dbraw/zinc/02/23/04/345022304.db2.gz VAFPYKWNNIJNRW-ZETCQYMHSA-N 0 0 180.251 1.791 10 0 ADAERN CC1(C)CC[C@@]2(C1)OC(=O)N=C2N 300990177 345022444 /nfs/dbraw/zinc/02/24/44/345022444.db2.gz JGBBWUHMPDRLOE-VIFPVBQESA-N 0 0 182.223 1.443 10 0 ADAERN CCSCc1ncc(C)c(N)n1 300988910 345022514 /nfs/dbraw/zinc/02/25/14/345022514.db2.gz VNWJVCSIKNVYOJ-UHFFFAOYSA-N 0 0 183.280 1.620 10 0 ADAERN C[C@H]1CC[C@@]2(C1)OC(=O)N=C2N 300989112 345022493 /nfs/dbraw/zinc/02/24/93/345022493.db2.gz JCBJJOVZMLDNJJ-XNCJUZBTSA-N 0 0 168.196 1.053 10 0 ADAERN CC1(C)CC[C@]2(C1)OC(=O)N=C2N 300990172 345022524 /nfs/dbraw/zinc/02/25/24/345022524.db2.gz JGBBWUHMPDRLOE-SECBINFHSA-N 0 0 182.223 1.443 10 0 ADAERN CC1(C)CCC2(CC1)OC(=O)N=C2N 300989145 345022538 /nfs/dbraw/zinc/02/25/38/345022538.db2.gz JCKQTCHUENQPBY-UHFFFAOYSA-N 0 0 196.250 1.833 10 0 ADAERN Fc1cncc(NC2CCOCC2)c1 300988483 345022546 /nfs/dbraw/zinc/02/25/46/345022546.db2.gz UKYMVTADUAAYFW-UHFFFAOYSA-N 0 0 196.225 1.812 10 0 ADAERN C[C@@H]1CC[C@]2(C1)OC(=O)N=C2N 300989111 345022615 /nfs/dbraw/zinc/02/26/15/345022615.db2.gz JCBJJOVZMLDNJJ-SVGQVSJJSA-N 0 0 168.196 1.053 10 0 ADAERN C[C@@H]1CC[C@@]2(C1)OC(=O)N=C2N 300989113 345022622 /nfs/dbraw/zinc/02/26/22/345022622.db2.gz JCBJJOVZMLDNJJ-XRGYYRRGSA-N 0 0 168.196 1.053 10 0 ADAERN Cc1cccc(NCCC(N)=O)c1F 300990892 345022654 /nfs/dbraw/zinc/02/26/54/345022654.db2.gz VCXVTQWWSHSFND-UHFFFAOYSA-N 0 0 196.225 1.421 10 0 ADAERN C[C@H]1CC[C@]2(C1)OC(=O)N=C2N 300989114 345022689 /nfs/dbraw/zinc/02/26/89/345022689.db2.gz JCBJJOVZMLDNJJ-YLWLKBPMSA-N 0 0 168.196 1.053 10 0 ADAERN CC(C)[C@]1(O)CCOC[C@@H]1C 300995359 345023061 /nfs/dbraw/zinc/02/30/61/345023061.db2.gz JWUQOSWOWULHGP-DTWKUNHWSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@@H]1CC[C@@H](Nc2cnnn2C)[C@@H]1C 300993143 345023017 /nfs/dbraw/zinc/02/30/17/345023017.db2.gz ULPCYIIPIVOCAQ-IWSPIJDZSA-N 0 0 194.282 1.662 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1cnnn1C 300993057 345023021 /nfs/dbraw/zinc/02/30/21/345023021.db2.gz UKUANVAVWBLNCI-YUMQZZPRSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H]1[C@H](C)CC[C@H]1Nc1cnnn1C 300993140 345023056 /nfs/dbraw/zinc/02/30/56/345023056.db2.gz ULPCYIIPIVOCAQ-HRDYMLBCSA-N 0 0 194.282 1.662 10 0 ADAERN Cc1cc(Cl)ncc1NC=O 300994862 345023073 /nfs/dbraw/zinc/02/30/73/345023073.db2.gz WCFQKDFBQVBLRF-UHFFFAOYSA-N 0 0 170.599 1.612 10 0 ADAERN C[C@@H]1CC[C@H](Nc2cnnn2C)[C@@H]1C 300993138 345023083 /nfs/dbraw/zinc/02/30/83/345023083.db2.gz ULPCYIIPIVOCAQ-HLTSFMKQSA-N 0 0 194.282 1.662 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1cnnn1C 300993055 345023103 /nfs/dbraw/zinc/02/31/03/345023103.db2.gz UKUANVAVWBLNCI-JGVFFNPUSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1cnnn1C 300993056 345023121 /nfs/dbraw/zinc/02/31/21/345023121.db2.gz UKUANVAVWBLNCI-SFYZADRCSA-N 0 0 180.255 1.416 10 0 ADAERN Fc1cncc(NCc2cnco2)c1 300993402 345023142 /nfs/dbraw/zinc/02/31/42/345023142.db2.gz VSLSEKWRDRGIEA-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN CC(C)[C@@]1(O)CCOC[C@H]1C 300995357 345023143 /nfs/dbraw/zinc/02/31/43/345023143.db2.gz JWUQOSWOWULHGP-BDAKNGLRSA-N 0 0 158.241 1.430 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1cnnn1C 300993054 345023152 /nfs/dbraw/zinc/02/31/52/345023152.db2.gz UKUANVAVWBLNCI-HTQZYQBOSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@@H]1[C@@H](Nc2cnnn2C)CC[C@H]1C 300993147 345023165 /nfs/dbraw/zinc/02/31/65/345023165.db2.gz ULPCYIIPIVOCAQ-VGMNWLOBSA-N 0 0 194.282 1.662 10 0 ADAERN CC(C)[C@]1(O)CCOC[C@H]1C 300995363 345023168 /nfs/dbraw/zinc/02/31/68/345023168.db2.gz JWUQOSWOWULHGP-RKDXNWHRSA-N 0 0 158.241 1.430 10 0 ADAERN CCn1nncc1NC1CC=CC1 300995442 345023187 /nfs/dbraw/zinc/02/31/87/345023187.db2.gz UVILGTJXTXWWIO-UHFFFAOYSA-N 0 0 178.239 1.429 10 0 ADAERN Nc1cc([C@H]2CCC(F)(F)C2)[nH]n1 300997244 345023429 /nfs/dbraw/zinc/02/34/29/345023429.db2.gz MJSUEQLBGDKWPH-YFKPBYRVSA-N 0 0 187.193 1.895 10 0 ADAERN Cc1ccc2c(=O)[nH]cnc2c1F 300999013 345023447 /nfs/dbraw/zinc/02/34/47/345023447.db2.gz XFYSUQWLTZWKAO-UHFFFAOYSA-N 0 0 178.166 1.783 10 0 ADAERN C[C@@H]1COCC[C@@]1(O)CCC1CC1 300996783 345023471 /nfs/dbraw/zinc/02/34/71/345023471.db2.gz KATKBVNGNSPMMP-KOLCDFICSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1nc([C@H]2CCOC[C@H]2C)n[nH]1 300998234 345023544 /nfs/dbraw/zinc/02/35/44/345023544.db2.gz KFTNKBYACSISLN-SVRRBLITSA-N 0 0 181.239 1.253 10 0 ADAERN C[C@H]1COCC[C@]1(O)CCC1CC1 300996778 345023554 /nfs/dbraw/zinc/02/35/54/345023554.db2.gz KATKBVNGNSPMMP-GXSJLCMTSA-N 0 0 184.279 1.964 10 0 ADAERN COc1cc([C@@H](O)C=C(C)C)nn1C 300995701 345023577 /nfs/dbraw/zinc/02/35/77/345023577.db2.gz WGKZEDICWCRGLZ-VIFPVBQESA-N 0 0 196.250 1.428 10 0 ADAERN COC(=O)Nc1c(F)ccc(N)c1C 300997685 345023581 /nfs/dbraw/zinc/02/35/81/345023581.db2.gz XHJOKLCQFQKGIX-UHFFFAOYSA-N 0 0 198.197 1.895 10 0 ADAERN Cc1nc([C@@H]2CCOC[C@@H]2C)n[nH]1 300998232 345023584 /nfs/dbraw/zinc/02/35/84/345023584.db2.gz KFTNKBYACSISLN-POYBYMJQSA-N 0 0 181.239 1.253 10 0 ADAERN CNc1ccc(C(C)(C)OC)nn1 300998214 345023675 /nfs/dbraw/zinc/02/36/75/345023675.db2.gz MOIGLPNHMJMLAS-UHFFFAOYSA-N 0 0 181.239 1.400 10 0 ADAERN Cc1nc([C@H]2CCOC[C@@H]2C)n[nH]1 300998236 345023711 /nfs/dbraw/zinc/02/37/11/345023711.db2.gz KFTNKBYACSISLN-XPUUQOCRSA-N 0 0 181.239 1.253 10 0 ADAERN Nc1cc([C@@H]2CCC(F)(F)C2)[nH]n1 300997240 345023719 /nfs/dbraw/zinc/02/37/19/345023719.db2.gz MJSUEQLBGDKWPH-RXMQYKEDSA-N 0 0 187.193 1.895 10 0 ADAERN Cc1nc([C@@H]2CCOC[C@H]2C)n[nH]1 300998230 345023728 /nfs/dbraw/zinc/02/37/28/345023728.db2.gz KFTNKBYACSISLN-HTRCEHHLSA-N 0 0 181.239 1.253 10 0 ADAERN C[C@@H]1COCC[C@]1(O)CCC1CC1 300996788 345023744 /nfs/dbraw/zinc/02/37/44/345023744.db2.gz KATKBVNGNSPMMP-MWLCHTKSSA-N 0 0 184.279 1.964 10 0 ADAERN Fc1cncc(-n2cc[nH]c2=S)c1 300996828 345023764 /nfs/dbraw/zinc/02/37/64/345023764.db2.gz WPJWCLBUDJQTNR-UHFFFAOYSA-N 0 0 195.222 1.695 10 0 ADAERN C[C@H]1COCC[C@@]1(O)CCC1CC1 300996792 345023781 /nfs/dbraw/zinc/02/37/81/345023781.db2.gz KATKBVNGNSPMMP-ONGXEEELSA-N 0 0 184.279 1.964 10 0 ADAERN COc1cc([C@H](O)C=C(C)C)nn1C 300995695 345023786 /nfs/dbraw/zinc/02/37/86/345023786.db2.gz WGKZEDICWCRGLZ-SECBINFHSA-N 0 0 196.250 1.428 10 0 ADAERN Fc1cncc(NC2CC2)c1 301001410 345024103 /nfs/dbraw/zinc/02/41/03/345024103.db2.gz XUYTWVXGXATFBZ-UHFFFAOYSA-N 0 0 152.172 1.795 10 0 ADAERN Cn1nncc1-c1cc(=S)cc[nH]1 300999800 345024123 /nfs/dbraw/zinc/02/41/23/345024123.db2.gz VPMLRUJCRAJNQK-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN Fc1cncc(N[C@H]2CCCOC2)c1 301002893 345024182 /nfs/dbraw/zinc/02/41/82/345024182.db2.gz YGPDKVCUZZYADZ-VIFPVBQESA-N 0 0 196.225 1.812 10 0 ADAERN Fc1cncc(N[C@@H]2CCCOC2)c1 301002891 345024225 /nfs/dbraw/zinc/02/42/25/345024225.db2.gz YGPDKVCUZZYADZ-SECBINFHSA-N 0 0 196.225 1.812 10 0 ADAERN Nc1cncc(-c2cncc(F)c2)c1 301001686 345024252 /nfs/dbraw/zinc/02/42/52/345024252.db2.gz VYHFLUIGOGCYDW-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN CCNc1ncnc2snc(C)c12 301003017 345024288 /nfs/dbraw/zinc/02/42/88/345024288.db2.gz XIXWMFWMVDIJKY-UHFFFAOYSA-N 0 0 194.263 1.827 10 0 ADAERN CC(C)C(C)(C)CNc1cnnn1C 300999178 345024365 /nfs/dbraw/zinc/02/43/65/345024365.db2.gz VMBMQZXJPACFLC-UHFFFAOYSA-N 0 0 196.298 1.909 10 0 ADAERN CC1(C)CCC[C@]12OC(=O)N=C2N 301005209 345024499 /nfs/dbraw/zinc/02/44/99/345024499.db2.gz LDYBPZSPHNHYPJ-SECBINFHSA-N 0 0 182.223 1.443 10 0 ADAERN COc1cc([C@H](O)C(C)(C)C)nn1C 301006850 345024514 /nfs/dbraw/zinc/02/45/14/345024514.db2.gz ZGMSUNDTNNEXHV-VIFPVBQESA-N 0 0 198.266 1.508 10 0 ADAERN COc1cc([C@@H](O)C(C)(C)C)nn1C 301006847 345024752 /nfs/dbraw/zinc/02/47/52/345024752.db2.gz ZGMSUNDTNNEXHV-SECBINFHSA-N 0 0 198.266 1.508 10 0 ADAERN CC1(C)CCC[C@@]12OC(=O)N=C2N 301005210 345024756 /nfs/dbraw/zinc/02/47/56/345024756.db2.gz LDYBPZSPHNHYPJ-VIFPVBQESA-N 0 0 182.223 1.443 10 0 ADAERN Cc1cnc([C@H]2CCCS2)nc1N 301009901 345025088 /nfs/dbraw/zinc/02/50/88/345025088.db2.gz 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/nfs/dbraw/zinc/02/51/45/345025145.db2.gz ZHTAYKFTKBIDBB-UHFFFAOYSA-N 0 0 191.209 1.968 10 0 ADAERN Cn1nncc1NCc1ccco1 301007441 345025193 /nfs/dbraw/zinc/02/51/93/345025193.db2.gz WZGQUMBJLKZCIA-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN CCC[C@@]1(C)OC(=O)N=C1N 301009293 345025239 /nfs/dbraw/zinc/02/52/39/345025239.db2.gz LSSXPTKKZHGYCV-SSDOTTSWSA-N 0 0 156.185 1.053 10 0 ADAERN Cc1c(N)n[nH]c1[C@H]1CCOC[C@H]1C 301008564 345025318 /nfs/dbraw/zinc/02/53/18/345025318.db2.gz LPXDFNIFGCGKOR-SVRRBLITSA-N 0 0 195.266 1.440 10 0 ADAERN C[C@H]1COCC[C@]1(O)c1ccccc1 301012799 345025787 /nfs/dbraw/zinc/02/57/87/345025787.db2.gz MEKGKRMAZWFJAG-CMPLNLGQSA-N 0 0 192.258 1.931 10 0 ADAERN C[C@@H]1COCC[C@@]1(O)c1ccccc1 301012806 345025895 /nfs/dbraw/zinc/02/58/95/345025895.db2.gz MEKGKRMAZWFJAG-PWSUYJOCSA-N 0 0 192.258 1.931 10 0 ADAERN C[C@H]1COCC[C@@]1(O)c1ccccc1 301012803 345025975 /nfs/dbraw/zinc/02/59/75/345025975.db2.gz MEKGKRMAZWFJAG-JQWIXIFHSA-N 0 0 192.258 1.931 10 0 ADAERN Cn1nncc1NCC1(C)CCC1 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Cc1ncc(C(=O)N[C@@H]2C[C@H]2C)s1 306149476 345038276 /nfs/dbraw/zinc/03/82/76/345038276.db2.gz AHQKLLGYPRDYPI-IYSWYEEDSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1c[nH]nc1-c1onc(N)c1Cl 306149554 345038311 /nfs/dbraw/zinc/03/83/11/345038311.db2.gz AZQQIVDUROSTMD-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN Nc1ccsc1C(=O)N1CCC1 306149225 345038348 /nfs/dbraw/zinc/03/83/48/345038348.db2.gz AHWJKBHYCTZIIP-UHFFFAOYSA-N 0 0 182.248 1.176 10 0 ADAERN Cc1ncc(C(=O)N[C@@H]2C[C@@H]2C)s1 306149461 345038453 /nfs/dbraw/zinc/03/84/53/345038453.db2.gz AHQKLLGYPRDYPI-CAHLUQPWSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1ncc(C(=O)N[C@H]2C[C@H]2C)s1 306149484 345038599 /nfs/dbraw/zinc/03/85/99/345038599.db2.gz AHQKLLGYPRDYPI-VDTYLAMSSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1ncc(C(=O)N[C@H]2C[C@@H]2C)s1 306149469 345038619 /nfs/dbraw/zinc/03/86/19/345038619.db2.gz AHQKLLGYPRDYPI-FSPLSTOPSA-N 0 0 196.275 1.590 10 0 ADAERN C/C(=C/C(N)=O)c1cccc(F)c1 306149239 345038624 /nfs/dbraw/zinc/03/86/24/345038624.db2.gz BUGBWYUBOPQOPX-ALCCZGGFSA-N 0 0 179.194 1.714 10 0 ADAERN CC(C)CNC(=O)C1=COCCC1 306150139 345038868 /nfs/dbraw/zinc/03/88/68/345038868.db2.gz FEYWDNWGRZOUDI-UHFFFAOYSA-N 0 0 183.251 1.453 10 0 ADAERN Cc1nccc(N[C@H]2CC[C@@H]2C)n1 306149808 345038889 /nfs/dbraw/zinc/03/88/89/345038889.db2.gz DLMRRGCVGTXQMZ-CBAPKCEASA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nccc(N[C@@H]2CC[C@H]2C)n1 306149817 345038904 /nfs/dbraw/zinc/03/89/04/345038904.db2.gz DLMRRGCVGTXQMZ-VXNVDRBHSA-N 0 0 177.251 1.995 10 0 ADAERN FC1(F)CNc2cccnc2NC1 306150117 345038976 /nfs/dbraw/zinc/03/89/76/345038976.db2.gz FEFMBCBKYQKVAI-UHFFFAOYSA-N 0 0 185.177 1.554 10 0 ADAERN Cc1nccc(N[C@@H]2CC[C@@H]2C)n1 306149813 345039046 /nfs/dbraw/zinc/03/90/46/345039046.db2.gz DLMRRGCVGTXQMZ-IONNQARKSA-N 0 0 177.251 1.995 10 0 ADAERN CC(F)(F)C(=O)c1cnccn1 306149740 345039064 /nfs/dbraw/zinc/03/90/64/345039064.db2.gz BIRAKXHAIMACHB-UHFFFAOYSA-N 0 0 172.134 1.315 10 0 ADAERN Cn1ncc(C(=O)C2CCCC2)n1 306149893 345039095 /nfs/dbraw/zinc/03/90/95/345039095.db2.gz CESOLFDBMAAESP-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN Cc1nccc(N[C@H]2CC[C@H]2C)n1 306149803 345039183 /nfs/dbraw/zinc/03/91/83/345039183.db2.gz DLMRRGCVGTXQMZ-APPZFPTMSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@H]1COCCN1Cc1cc[nH]c1 306150386 345039372 /nfs/dbraw/zinc/03/93/72/345039372.db2.gz BBSCHPFOAGNORW-VIFPVBQESA-N 0 0 180.251 1.235 10 0 ADAERN Cc1nn(C)cc1NC1CSC1 306150261 345039392 /nfs/dbraw/zinc/03/93/92/345039392.db2.gz FFRLSJYMTIOPEZ-UHFFFAOYSA-N 0 0 183.280 1.256 10 0 ADAERN CC1(C(=O)NN2CCCC2)CCC1 306150387 345039441 /nfs/dbraw/zinc/03/94/41/345039441.db2.gz FZXRCUWILKIMOW-UHFFFAOYSA-N 0 0 182.267 1.304 10 0 ADAERN Cc1cc[nH+]c(NCCF)c1C(=O)[O-] 306150203 345039447 /nfs/dbraw/zinc/03/94/47/345039447.db2.gz FJGMPSZFRRWPOQ-UHFFFAOYSA-N 0 0 198.197 1.470 10 0 ADAERN C[C@H]1CC[C@]1(CC(=O)[O-])C(C)(C)[NH3+] 306150718 345039482 /nfs/dbraw/zinc/03/94/82/345039482.db2.gz FZTFACGSOCGCAY-OIBJUYFYSA-N 0 0 185.267 1.615 10 0 ADAERN CN(C#N)C(=O)c1cc(Cl)ccn1 306150308 345039491 /nfs/dbraw/zinc/03/94/91/345039491.db2.gz FQMQWNKDMVXWOC-UHFFFAOYSA-N 0 0 195.609 1.288 10 0 ADAERN C[C@@H]1CC[C@]1(CC(=O)[O-])C(C)(C)[NH3+] 306150716 345039578 /nfs/dbraw/zinc/03/95/78/345039578.db2.gz FZTFACGSOCGCAY-GMSGAONNSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@H]1CC[C@@]1(CC(=O)[O-])C(C)(C)[NH3+] 306150721 345039620 /nfs/dbraw/zinc/03/96/20/345039620.db2.gz FZTFACGSOCGCAY-XVKPBYJWSA-N 0 0 185.267 1.615 10 0 ADAERN NC(=O)CCSCC1CC1 306150567 345039646 /nfs/dbraw/zinc/03/96/46/345039646.db2.gz AKVVPPXWZOCOKQ-UHFFFAOYSA-N 0 0 159.254 1.005 10 0 ADAERN C[C@@H]1CC[C@@]1(CC(=O)[O-])C(C)(C)[NH3+] 306150719 345039676 /nfs/dbraw/zinc/03/96/76/345039676.db2.gz FZTFACGSOCGCAY-XCBNKYQSSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@H]21 306150910 345040033 /nfs/dbraw/zinc/04/00/33/345040033.db2.gz CPOHIQFUQCIMDP-DOLQZWNJSA-N 0 0 179.263 1.653 10 0 ADAERN Cc1ccccc1CN1C[C@H](O)CO1 306150973 345040038 /nfs/dbraw/zinc/04/00/38/345040038.db2.gz CTGYYISMGPNVCP-NSHDSACASA-N 0 0 193.246 1.103 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]21 306150914 345040146 /nfs/dbraw/zinc/04/01/46/345040146.db2.gz CPOHIQFUQCIMDP-KATARQTJSA-N 0 0 179.263 1.653 10 0 ADAERN CONC(=O)[C@H]1CCC[C@H](C)C1 306150748 345040155 /nfs/dbraw/zinc/04/01/55/345040155.db2.gz GCKJMFHFSBYRDC-YUMQZZPRSA-N 0 0 171.240 1.490 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ccc(N)nc1 306150877 345040157 /nfs/dbraw/zinc/04/01/57/345040157.db2.gz FSSVMSNXVUXDGG-IONNQARKSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H]21 306150912 345040164 /nfs/dbraw/zinc/04/01/64/345040164.db2.gz CPOHIQFUQCIMDP-IMSYWVGJSA-N 0 0 179.263 1.653 10 0 ADAERN CCOC(=O)Nc1ncco1 306150900 345040179 /nfs/dbraw/zinc/04/01/79/345040179.db2.gz CPERQCWEXAZJBP-UHFFFAOYSA-N 0 0 156.141 1.243 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ccc(N)nc1 306150879 345040184 /nfs/dbraw/zinc/04/01/84/345040184.db2.gz FSSVMSNXVUXDGG-VXNVDRBHSA-N 0 0 177.251 1.874 10 0 ADAERN CCc1nc(CC2CCC2)no1 306150926 345040204 /nfs/dbraw/zinc/04/02/04/345040204.db2.gz FXOXSISDJOZCNE-UHFFFAOYSA-N 0 0 166.224 1.975 10 0 ADAERN CONC(=O)[C@@H]1CCC[C@@H](C)C1 306150745 345040250 /nfs/dbraw/zinc/04/02/50/345040250.db2.gz GCKJMFHFSBYRDC-HTQZYQBOSA-N 0 0 171.240 1.490 10 0 ADAERN CONC(=O)[C@@H]1CCC[C@H](C)C1 306150746 345040279 /nfs/dbraw/zinc/04/02/79/345040279.db2.gz GCKJMFHFSBYRDC-JGVFFNPUSA-N 0 0 171.240 1.490 10 0 ADAERN Cc1ccccc1CN1C[C@@H](O)CO1 306150971 345040299 /nfs/dbraw/zinc/04/02/99/345040299.db2.gz CTGYYISMGPNVCP-LLVKDONJSA-N 0 0 193.246 1.103 10 0 ADAERN CONC(=O)[C@H]1CCC[C@@H](C)C1 306150747 345040324 /nfs/dbraw/zinc/04/03/24/345040324.db2.gz GCKJMFHFSBYRDC-SFYZADRCSA-N 0 0 171.240 1.490 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]21 306150916 345040357 /nfs/dbraw/zinc/04/03/57/345040357.db2.gz CPOHIQFUQCIMDP-XFWSIPNHSA-N 0 0 179.263 1.653 10 0 ADAERN Cc1cc(NCCF)nnc1C 306150813 345040378 /nfs/dbraw/zinc/04/03/78/345040378.db2.gz GJJFQNRJEIPBHD-UHFFFAOYSA-N 0 0 169.203 1.475 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ccc(N)nc1 306150875 345040438 /nfs/dbraw/zinc/04/04/38/345040438.db2.gz FSSVMSNXVUXDGG-CBAPKCEASA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ccc(N)nc1 306150873 345040466 /nfs/dbraw/zinc/04/04/66/345040466.db2.gz FSSVMSNXVUXDGG-APPZFPTMSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1CC[C@]12CC(=O)N[C@@H]2C 306151318 345040666 /nfs/dbraw/zinc/04/06/66/345040666.db2.gz FJFBQAOJFMDDCK-BHNWBGBOSA-N 0 0 153.225 1.311 10 0 ADAERN COc1ccc(NC2CSC2)cn1 306151141 345040730 /nfs/dbraw/zinc/04/07/30/345040730.db2.gz GVDPDIZWMRIYCE-UHFFFAOYSA-N 0 0 196.275 1.618 10 0 ADAERN CC(C)NC(=O)N[C@@H]1[C@H]2CCC[C@H]21 306151113 345040953 /nfs/dbraw/zinc/04/09/53/345040953.db2.gz GRSWGXREFXNDKM-BRPSZJMVSA-N 0 0 182.267 1.493 10 0 ADAERN CCc1c(NC)n[nH]c1C1CC1 306151062 345041039 /nfs/dbraw/zinc/04/10/39/345041039.db2.gz BKRKINXXGSBFIA-UHFFFAOYSA-N 0 0 165.240 1.891 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12CC[C@H]2C 306151319 345041072 /nfs/dbraw/zinc/04/10/72/345041072.db2.gz FJFBQAOJFMDDCK-BKPPORCPSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@@H]1CC[C@@]12CC(=O)N[C@@H]2C 306151322 345041075 /nfs/dbraw/zinc/04/10/75/345041075.db2.gz FJFBQAOJFMDDCK-ZXFLCMHBSA-N 0 0 153.225 1.311 10 0 ADAERN CCO[C@H]1C[C@H]2CC(=O)C[C@H]2C1 306151036 345041077 /nfs/dbraw/zinc/04/10/77/345041077.db2.gz GHCRFPOYKGSTBG-MBTKJCJQSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1NC(=O)C[C@]12CC[C@H]2C 306151321 345041123 /nfs/dbraw/zinc/04/11/23/345041123.db2.gz FJFBQAOJFMDDCK-FJXKBIBVSA-N 0 0 153.225 1.311 10 0 ADAERN C/C=C/C(=O)N[C@H]1CSC[C@@H]1C 306151628 345041363 /nfs/dbraw/zinc/04/13/63/345041363.db2.gz GJEVMHYICGWTDH-HENSLRDNSA-N 0 0 185.292 1.430 10 0 ADAERN C/C=C/C(=O)N[C@H]1CSC[C@H]1C 306151631 345041415 /nfs/dbraw/zinc/04/14/15/345041415.db2.gz GJEVMHYICGWTDH-ZGNIKFQOSA-N 0 0 185.292 1.430 10 0 ADAERN CCc1cnc(NC[C@H](C)O)s1 306151532 345041601 /nfs/dbraw/zinc/04/16/01/345041601.db2.gz GYIWRBHZDJDDHX-LURJTMIESA-N 0 0 186.280 1.498 10 0 ADAERN CCc1cnc(NC[C@@H](C)O)s1 306151533 345041716 /nfs/dbraw/zinc/04/17/16/345041716.db2.gz GYIWRBHZDJDDHX-ZCFIWIBFSA-N 0 0 186.280 1.498 10 0 ADAERN CNC(=O)N1CC(CC(F)(F)F)C1 306151734 345042054 /nfs/dbraw/zinc/04/20/54/345042054.db2.gz DENONWMJEXPLSF-UHFFFAOYSA-N 0 0 196.172 1.210 10 0 ADAERN O=C1CCCN1[C@@H]1CCC[C@@H](CO)C1 306151906 345042067 /nfs/dbraw/zinc/04/20/67/345042067.db2.gz DPFAAUHKSYMDRV-NXEZZACHSA-N 0 0 197.278 1.160 10 0 ADAERN CNC(=O)c1cc(COC)oc1C 306151841 345042123 /nfs/dbraw/zinc/04/21/23/345042123.db2.gz HQAWVNONKFUWPN-UHFFFAOYSA-N 0 0 183.207 1.094 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)Nc1ccco1 306151772 345042240 /nfs/dbraw/zinc/04/22/40/345042240.db2.gz HKBKSBPNRHYQQL-RNFRBKRXSA-N 0 0 180.207 1.810 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)Nc1ccco1 306151770 345042264 /nfs/dbraw/zinc/04/22/64/345042264.db2.gz HKBKSBPNRHYQQL-NKWVEPMBSA-N 0 0 180.207 1.810 10 0 ADAERN O=C1CCCN1[C@H]1CCC[C@@H](CO)C1 306151914 345042270 /nfs/dbraw/zinc/04/22/70/345042270.db2.gz DPFAAUHKSYMDRV-ZJUUUORDSA-N 0 0 197.278 1.160 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccco1 306151774 345042279 /nfs/dbraw/zinc/04/22/79/345042279.db2.gz HKBKSBPNRHYQQL-RQJHMYQMSA-N 0 0 180.207 1.810 10 0 ADAERN CC(C)(C)NC(=O)Nc1cocn1 306151817 345042298 /nfs/dbraw/zinc/04/22/98/345042298.db2.gz DKABGGJBTRDHHU-UHFFFAOYSA-N 0 0 183.211 1.595 10 0 ADAERN O=C1CCCN1[C@@H]1CCC[C@H](CO)C1 306151911 345042313 /nfs/dbraw/zinc/04/23/13/345042313.db2.gz DPFAAUHKSYMDRV-VHSXEESVSA-N 0 0 197.278 1.160 10 0 ADAERN O=C1CCCN1[C@H]1CCC[C@H](CO)C1 306151908 345042323 /nfs/dbraw/zinc/04/23/23/345042323.db2.gz DPFAAUHKSYMDRV-UWVGGRQHSA-N 0 0 197.278 1.160 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccco1 306151769 345042358 /nfs/dbraw/zinc/04/23/58/345042358.db2.gz HKBKSBPNRHYQQL-BQBZGAKWSA-N 0 0 180.207 1.810 10 0 ADAERN CCn1c(C)nnc1NC1(C)CC1 306152364 345042633 /nfs/dbraw/zinc/04/26/33/345042633.db2.gz AFYQAHQMQBSDKC-UHFFFAOYSA-N 0 0 180.255 1.571 10 0 ADAERN CC(C)(C)Nc1ncc(CO)s1 306152466 345042642 /nfs/dbraw/zinc/04/26/42/345042642.db2.gz AZIONXQPMQNOQX-UHFFFAOYSA-N 0 0 186.280 1.846 10 0 ADAERN C[C@H](Nc1c[nH]cn1)c1ccccn1 306152295 345042644 /nfs/dbraw/zinc/04/26/44/345042644.db2.gz ANMOCRBGEVCQPL-QMMMGPOBSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@@H](O)C(=O)OC1CCCCCC1 306152317 345042663 /nfs/dbraw/zinc/04/26/63/345042663.db2.gz ARUDDXSRCVFDFV-MRVPVSSYSA-N 0 0 186.251 1.633 10 0 ADAERN Cc1cc(CCCO)sn1 306152365 345042694 /nfs/dbraw/zinc/04/26/94/345042694.db2.gz AGBIDIWQBSTFBN-UHFFFAOYSA-N 0 0 157.238 1.376 10 0 ADAERN CN(C(=O)[C@H]1CC[C@@H](F)C1)C1CC1 306152520 345042711 /nfs/dbraw/zinc/04/27/11/345042711.db2.gz AFDRTJNHNAALOQ-JGVFFNPUSA-N 0 0 185.242 1.745 10 0 ADAERN CC(C)(C)[C@@]1(O)COCC1(C)C 306152581 345042731 /nfs/dbraw/zinc/04/27/31/345042731.db2.gz AHGCEZQWJAYWAM-JTQLQIEISA-N 0 0 172.268 1.820 10 0 ADAERN O=C(c1ccsn1)[C@H]1CCCO1 306152434 345042748 /nfs/dbraw/zinc/04/27/48/345042748.db2.gz AXLNDCSFNFSIDF-SSDOTTSWSA-N 0 0 183.232 1.505 10 0 ADAERN 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306154289 345044725 /nfs/dbraw/zinc/04/47/25/345044725.db2.gz KGNJGZXNBPYVMR-BHNWBGBOSA-N 0 0 165.240 1.866 10 0 ADAERN CNc1nc(C)nc(C)c1OC 306154273 345044751 /nfs/dbraw/zinc/04/47/51/345044751.db2.gz KEQOJIGBWGQLRN-UHFFFAOYSA-N 0 0 167.212 1.144 10 0 ADAERN Cc1noc(OCC(F)(F)F)n1 306154242 345044806 /nfs/dbraw/zinc/04/48/06/345044806.db2.gz JRHMOGQQPAMSNO-UHFFFAOYSA-N 0 0 182.101 1.319 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cn[nH]c2)[C@@H]1C 306154292 345044809 /nfs/dbraw/zinc/04/48/09/345044809.db2.gz KGNJGZXNBPYVMR-ZXFLCMHBSA-N 0 0 165.240 1.866 10 0 ADAERN O=C(c1cn[nH]c1)c1cscn1 306154295 345044831 /nfs/dbraw/zinc/04/48/31/345044831.db2.gz BBWLMBAYPGMLJG-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN C[C@@H]1[C@@H](Nc2cn[nH]c2)C[C@H]1C 306154291 345044835 /nfs/dbraw/zinc/04/48/35/345044835.db2.gz KGNJGZXNBPYVMR-FJXKBIBVSA-N 0 0 165.240 1.866 10 0 ADAERN CC1(C)CC(=O)N(C2CC2)C(=O)C1 306154196 345044912 /nfs/dbraw/zinc/04/49/12/345044912.db2.gz JGXXETOXAMVZDY-UHFFFAOYSA-N 0 0 181.235 1.324 10 0 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CCNc1ccc([C@H]2CCCO2)nn1 306155842 345047281 /nfs/dbraw/zinc/04/72/81/345047281.db2.gz CEJKLVJBSJWABB-SECBINFHSA-N 0 0 193.250 1.760 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](F)C1 306156042 345047299 /nfs/dbraw/zinc/04/72/99/345047299.db2.gz CBHAABDCMQROTD-JBDRJPRFSA-N 0 0 185.242 1.649 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CCO[C@@H]1C 306155964 345047315 /nfs/dbraw/zinc/04/73/15/345047315.db2.gz KTITUPNBORZQBH-QNVIJMGISA-N 0 0 183.251 1.246 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CCO[C@H]1C 306155962 345047397 /nfs/dbraw/zinc/04/73/97/345047397.db2.gz KTITUPNBORZQBH-JYUDYDOHSA-N 0 0 183.251 1.246 10 0 ADAERN CCNc1cc(N2CCC2)ncn1 306156022 345047403 /nfs/dbraw/zinc/04/74/03/345047403.db2.gz IOZKWZHAUJXSJR-UHFFFAOYSA-N 0 0 178.239 1.119 10 0 ADAERN CCNc1cc([C@H]2C[C@H]2C)[nH]n1 306157392 345047749 /nfs/dbraw/zinc/04/77/49/345047749.db2.gz ISDOAHXLLFUCAI-RQJHMYQMSA-N 0 0 165.240 1.965 10 0 ADAERN O=C1CC(C2CC2)(C2CC2)CN1 306157261 345047800 /nfs/dbraw/zinc/04/78/00/345047800.db2.gz 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/nfs/dbraw/zinc/04/81/61/345048161.db2.gz MXWWPWDXRRKUQE-SNVBAGLBSA-N 0 0 196.250 1.349 10 0 ADAERN Oc1cc(F)cc(-n2cccn2)c1 306158080 345048232 /nfs/dbraw/zinc/04/82/32/345048232.db2.gz DCNKRNJOLWIFQC-UHFFFAOYSA-N 0 0 178.166 1.717 10 0 ADAERN COc1ncc([C@@](C)(O)C(C)C)cn1 306158056 345048254 /nfs/dbraw/zinc/04/82/54/345048254.db2.gz MXWWPWDXRRKUQE-JTQLQIEISA-N 0 0 196.250 1.349 10 0 ADAERN CC(C)=C[C@H](NN)C(C)(F)F 306158095 345048268 /nfs/dbraw/zinc/04/82/68/345048268.db2.gz DDKQOTNFIHNBBX-LURJTMIESA-N 0 0 164.199 1.440 10 0 ADAERN CC(C)=C[C@@H](NN)C(C)(F)F 306158096 345048308 /nfs/dbraw/zinc/04/83/08/345048308.db2.gz DDKQOTNFIHNBBX-ZCFIWIBFSA-N 0 0 164.199 1.440 10 0 ADAERN C[C@H](Nc1cncnc1)[C@@H]1CCCO1 306158042 345048320 /nfs/dbraw/zinc/04/83/20/345048320.db2.gz DARZSGSTEHYIAH-WPRPVWTQSA-N 0 0 193.250 1.456 10 0 ADAERN CN(Cc1ncc[nH]1)[C@@H]1CC1(C)C 306158982 345048763 /nfs/dbraw/zinc/04/87/63/345048763.db2.gz DTSPAJIUGDWBHT-MRVPVSSYSA-N 0 0 179.267 1.640 10 0 ADAERN CNc1ncc(C)c([C@@H]2C[C@H]2C)n1 306158501 345048756 /nfs/dbraw/zinc/04/87/56/345048756.db2.gz KBPLQKUCQWWCNR-HTRCEHHLSA-N 0 0 177.251 1.950 10 0 ADAERN CNC(=O)c1nc(C(C)C)oc1C 306158892 345048808 /nfs/dbraw/zinc/04/88/08/345048808.db2.gz DSFRACBSJSMZNY-UHFFFAOYSA-N 0 0 182.223 1.466 10 0 ADAERN C[C@@H](O)c1ccnc(N2CCC2)c1 306158944 345048810 /nfs/dbraw/zinc/04/88/10/345048810.db2.gz OTHQRNYMDMNPOZ-MRVPVSSYSA-N 0 0 178.235 1.345 10 0 ADAERN CC(C)CNc1nc(C(N)=O)cs1 306158981 345048828 /nfs/dbraw/zinc/04/88/28/345048828.db2.gz NEBJZBQGDVJFOR-UHFFFAOYSA-N 0 0 199.279 1.310 10 0 ADAERN CNc1ncc(C)c([C@H]2C[C@@H]2C)n1 306158931 345048859 /nfs/dbraw/zinc/04/88/59/345048859.db2.gz KBPLQKUCQWWCNR-XPUUQOCRSA-N 0 0 177.251 1.950 10 0 ADAERN CNC(=O)c1nc(C2CC2)oc1C 306158881 345048872 /nfs/dbraw/zinc/04/88/72/345048872.db2.gz DQWCDJQISOFMEO-UHFFFAOYSA-N 0 0 180.207 1.220 10 0 ADAERN C[C@H](O)c1ccnc(N2CCC2)c1 306158953 345048901 /nfs/dbraw/zinc/04/89/01/345048901.db2.gz OTHQRNYMDMNPOZ-QMMMGPOBSA-N 0 0 178.235 1.345 10 0 ADAERN CNc1ncc(C)c([C@H]2C[C@H]2C)n1 306158919 345048918 /nfs/dbraw/zinc/04/89/18/345048918.db2.gz KBPLQKUCQWWCNR-SVRRBLITSA-N 0 0 177.251 1.950 10 0 ADAERN CNc1ncc(C)c([C@@H]2C[C@@H]2C)n1 306158912 345048920 /nfs/dbraw/zinc/04/89/20/345048920.db2.gz KBPLQKUCQWWCNR-POYBYMJQSA-N 0 0 177.251 1.950 10 0 ADAERN COCc1nsc(N[C@@H]2C[C@H]2C)n1 306158859 345048949 /nfs/dbraw/zinc/04/89/49/345048949.db2.gz DXUHITNMVMPIQU-PHDIDXHHSA-N 0 0 199.279 1.505 10 0 ADAERN O=C(c1ccccn1)c1ccsn1 306158681 345048953 /nfs/dbraw/zinc/04/89/53/345048953.db2.gz PKWVPSBALFYSIJ-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN CCC(=O)[C@@H]1CCOC1(C)C 306159171 345049169 /nfs/dbraw/zinc/04/91/69/345049169.db2.gz CTOZFUDWOPPRFZ-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN O=C(CN1CCCC1)C(F)(F)F 306159323 345049201 /nfs/dbraw/zinc/04/92/01/345049201.db2.gz LGRCKDYWYAAKBV-UHFFFAOYSA-N 0 0 181.157 1.214 10 0 ADAERN CCC(=O)[C@H]1CCOC1(C)C 306159159 345049255 /nfs/dbraw/zinc/04/92/55/345049255.db2.gz CTOZFUDWOPPRFZ-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN Cc1c([C@@H]2[NH2+]CC2(C)C)cnn1C 306159001 345049507 /nfs/dbraw/zinc/04/95/07/345049507.db2.gz CQLDFPZFFOOHJO-VIFPVBQESA-N 0 0 179.267 1.399 10 0 ADAERN CNC(=O)C[C@H](C)Nc1ccccn1 306159309 345049345 /nfs/dbraw/zinc/04/93/45/345049345.db2.gz FEKDTDUUEOGLPI-QMMMGPOBSA-N 0 0 193.250 1.018 10 0 ADAERN Cc1ccc(N[C@@H]2CC[C@H]2C)nn1 306159093 345049371 /nfs/dbraw/zinc/04/93/71/345049371.db2.gz LAXBWMCVMOZFAL-VXNVDRBHSA-N 0 0 177.251 1.995 10 0 ADAERN CNC(=O)C[C@@H](C)Nc1ccccn1 306159300 345049428 /nfs/dbraw/zinc/04/94/28/345049428.db2.gz FEKDTDUUEOGLPI-MRVPVSSYSA-N 0 0 193.250 1.018 10 0 ADAERN Cc1ccc(N[C@H]2CC[C@H]2C)nn1 306159069 345049445 /nfs/dbraw/zinc/04/94/45/345049445.db2.gz LAXBWMCVMOZFAL-APPZFPTMSA-N 0 0 177.251 1.995 10 0 ADAERN NC(=O)N[C@@H]1CCC12CCCCC2 306159051 345049462 /nfs/dbraw/zinc/04/94/62/345049462.db2.gz FBMAKGATOBUZEW-MRVPVSSYSA-N 0 0 182.267 1.768 10 0 ADAERN CN(Cc1ncc[nH]1)[C@H]1CC1(C)C 306158993 345049485 /nfs/dbraw/zinc/04/94/85/345049485.db2.gz DTSPAJIUGDWBHT-QMMMGPOBSA-N 0 0 179.267 1.640 10 0 ADAERN Cc1ccc(N[C@@H]2CC[C@@H]2C)nn1 306159084 345049500 /nfs/dbraw/zinc/04/95/00/345049500.db2.gz LAXBWMCVMOZFAL-IONNQARKSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccc(N[C@H]2CC[C@@H]2C)nn1 306159078 345049512 /nfs/dbraw/zinc/04/95/12/345049512.db2.gz LAXBWMCVMOZFAL-CBAPKCEASA-N 0 0 177.251 1.995 10 0 ADAERN CCC1CCN(C(=O)NOC)CC1 306159442 345049824 /nfs/dbraw/zinc/04/98/24/345049824.db2.gz NQJRMNODMMAWFJ-UHFFFAOYSA-N 0 0 186.255 1.379 10 0 ADAERN CC[C@H](C)NC(=O)C1CC(C)C1 306159515 345049875 /nfs/dbraw/zinc/04/98/75/345049875.db2.gz LLBWFOBYZFZQLX-MGURRDGZSA-N 0 0 169.268 1.947 10 0 ADAERN C/C=C(\CC)C(=O)NCC 306159575 345049965 /nfs/dbraw/zinc/04/99/65/345049965.db2.gz ATIQVERGOFBRPR-QPJJXVBHSA-N 0 0 141.214 1.479 10 0 ADAERN CC[C@@H](C)NC(=O)C1CC(C)C1 306159519 345050002 /nfs/dbraw/zinc/05/00/02/345050002.db2.gz LLBWFOBYZFZQLX-QJAFJHJLSA-N 0 0 169.268 1.947 10 0 ADAERN COCC(=O)c1cc(C)ns1 306159635 345050072 /nfs/dbraw/zinc/05/00/72/345050072.db2.gz FPQNUWGTCBSAEF-UHFFFAOYSA-N 0 0 171.221 1.281 10 0 ADAERN COC[C@H]1CC[C@H]1Nc1ccccn1 306159453 345050095 /nfs/dbraw/zinc/05/00/95/345050095.db2.gz FGYDZLUTRYYRDD-NXEZZACHSA-N 0 0 192.262 1.919 10 0 ADAERN CC[C@@H](O)C(=O)NC1(C)CCCC1 306160313 345050267 /nfs/dbraw/zinc/05/02/67/345050267.db2.gz OWOHSPJFYAEGMT-MRVPVSSYSA-N 0 0 185.267 1.206 10 0 ADAERN CC(C)Nc1cncc(N(C)C)n1 306160270 345050415 /nfs/dbraw/zinc/05/04/15/345050415.db2.gz OSWCDIOUGVTQGD-UHFFFAOYSA-N 0 0 180.255 1.363 10 0 ADAERN CC[C@H](O)C(=O)NC1(C)CCCC1 306160319 345050430 /nfs/dbraw/zinc/05/04/30/345050430.db2.gz OWOHSPJFYAEGMT-QMMMGPOBSA-N 0 0 185.267 1.206 10 0 ADAERN Cc1ccc(N=S(C)(C)=O)c(N)c1 306159936 345050640 /nfs/dbraw/zinc/05/06/40/345050640.db2.gz RYPNJGPPKXEXTC-UHFFFAOYSA-N 0 0 198.291 1.936 10 0 ADAERN CC1(C)CC[C@H]1N1CCCNC1=O 306160171 345050676 /nfs/dbraw/zinc/05/06/76/345050676.db2.gz LWMZUGMTKZCQNP-MRVPVSSYSA-N 0 0 182.267 1.590 10 0 ADAERN CC1(C)CC[C@@H]1N1CCCNC1=O 306160177 345050688 /nfs/dbraw/zinc/05/06/88/345050688.db2.gz LWMZUGMTKZCQNP-QMMMGPOBSA-N 0 0 182.267 1.590 10 0 ADAERN c1cc(CNc2nnco2)ccn1 306160203 345050699 /nfs/dbraw/zinc/05/06/99/345050699.db2.gz OOTNFXPYUXQTAF-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN FCCCNc1nccn2nccc12 306160045 345050705 /nfs/dbraw/zinc/05/07/05/345050705.db2.gz OKJJAKKHGSENMG-UHFFFAOYSA-N 0 0 194.213 1.501 10 0 ADAERN NC1=NC(=O)O[C@]12CCC[C@@H]1C[C@@H]12 306160352 345051004 /nfs/dbraw/zinc/05/10/04/345051004.db2.gz PTFAXDRAEJPORN-JHEQGTHGSA-N 0 0 180.207 1.053 10 0 ADAERN C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)[O-])C[C@@H](C)C1 306160520 345051111 /nfs/dbraw/zinc/05/11/11/345051111.db2.gz FYGCETCZAALFOW-UTLUCORTSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@]1(C2CCC2)OC(=O)N=C1N 306160493 345051135 /nfs/dbraw/zinc/05/11/35/345051135.db2.gz FYDNMADQQBVCBU-MRVPVSSYSA-N 0 0 168.196 1.053 10 0 ADAERN NC1=NC(=O)O[C@]12CCC[C@H]1C[C@H]12 306160363 345051213 /nfs/dbraw/zinc/05/12/13/345051213.db2.gz 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/nfs/dbraw/zinc/05/17/45/345051745.db2.gz FPQYHKLQQZKQCX-QMMMGPOBSA-N 0 0 198.291 1.758 10 0 ADAERN COCc1noc(C2CC(C)C2)n1 306161174 345051802 /nfs/dbraw/zinc/05/18/02/345051802.db2.gz PVMFJUZZBLSHBT-UHFFFAOYSA-N 0 0 182.223 1.730 10 0 ADAERN CN(C[C@H]1CCCO1)c1nccs1 306160900 345051957 /nfs/dbraw/zinc/05/19/57/345051957.db2.gz FPQYHKLQQZKQCX-MRVPVSSYSA-N 0 0 198.291 1.758 10 0 ADAERN CSCc1nnc(C2(C)CC2)o1 306161317 345052275 /nfs/dbraw/zinc/05/22/75/345052275.db2.gz MVDSRPFTLZOOPS-UHFFFAOYSA-N 0 0 184.264 1.984 10 0 ADAERN CO[C@H](C)[C@@]1(C)CCC[C@H](CO)O1 306161214 345052276 /nfs/dbraw/zinc/05/22/76/345052276.db2.gz RCHUHOQGSQNRSS-OPRDCNLKSA-N 0 0 188.267 1.341 10 0 ADAERN C[C@H]1C[C@H]1c1nc(C=O)cc(=O)[nH]1 306161454 345052402 /nfs/dbraw/zinc/05/24/02/345052402.db2.gz LRYZTCOJPBVQHT-CAHLUQPWSA-N 0 0 178.191 1.118 10 0 ADAERN CO[C@H](C)[C@]1(C)CCC[C@@H](CO)O1 306161219 345052457 /nfs/dbraw/zinc/05/24/57/345052457.db2.gz RCHUHOQGSQNRSS-UTLUCORTSA-N 0 0 188.267 1.341 10 0 ADAERN 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RCHUHOQGSQNRSS-BBBLOLIVSA-N 0 0 188.267 1.341 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(C=O)cc(=O)[nH]1 306161462 345052710 /nfs/dbraw/zinc/05/27/10/345052710.db2.gz LRYZTCOJPBVQHT-FSPLSTOPSA-N 0 0 178.191 1.118 10 0 ADAERN CC(F)(F)c1nnc(Cl)o1 306162179 345052926 /nfs/dbraw/zinc/05/29/26/345052926.db2.gz HRXMZQBIXUZFPY-UHFFFAOYSA-N 0 0 168.530 1.835 10 0 ADAERN c1cc(N[C@@H]2CCCOCC2)ncn1 306161759 345052940 /nfs/dbraw/zinc/05/29/40/345052940.db2.gz GQDIYRZIVTZHDN-SECBINFHSA-N 0 0 193.250 1.458 10 0 ADAERN CCc1nc(-c2nnc(C)o2)c[nH]1 306161946 345052943 /nfs/dbraw/zinc/05/29/43/345052943.db2.gz QFRUCBJULKJWJB-UHFFFAOYSA-N 0 0 178.195 1.331 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Cc1cnns1 306161960 345052991 /nfs/dbraw/zinc/05/29/91/345052991.db2.gz QFWXDVXNYYHFJN-VXNVDRBHSA-N 0 0 198.291 1.632 10 0 ADAERN O[C@H]1CCCC[C@H]1Cc1cnns1 306161955 345053001 /nfs/dbraw/zinc/05/30/01/345053001.db2.gz QFWXDVXNYYHFJN-CBAPKCEASA-N 0 0 198.291 1.632 10 0 ADAERN CC(C)(F)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306162109 345053048 /nfs/dbraw/zinc/05/30/48/345053048.db2.gz QPDMEASMCSAPKN-JIGDXULJSA-N 0 0 185.242 1.649 10 0 ADAERN CC(C)(F)C(=O)N[C@H]1[C@H]2CCC[C@H]21 306162113 345053080 /nfs/dbraw/zinc/05/30/80/345053080.db2.gz QPDMEASMCSAPKN-RNLVFQAGSA-N 0 0 185.242 1.649 10 0 ADAERN O[C@H]1CCCC[C@@H]1Cc1cnns1 306161953 345053083 /nfs/dbraw/zinc/05/30/83/345053083.db2.gz QFWXDVXNYYHFJN-APPZFPTMSA-N 0 0 198.291 1.632 10 0 ADAERN CSC1=NCCN1C(=O)[C@H]1C[C@@H]1C 306161902 345053148 /nfs/dbraw/zinc/05/31/48/345053148.db2.gz FFBQIVRBTAVDHN-BQBZGAKWSA-N 0 0 198.291 1.204 10 0 ADAERN O[C@@H]1CCCC[C@H]1Cc1cnns1 306161957 345053164 /nfs/dbraw/zinc/05/31/64/345053164.db2.gz QFWXDVXNYYHFJN-IONNQARKSA-N 0 0 198.291 1.632 10 0 ADAERN CN(C#N)C(=O)[C@H]1CC[C@H](F)C1 306162378 345053538 /nfs/dbraw/zinc/05/35/38/345053538.db2.gz NPVPRPLISNUFSO-BQBZGAKWSA-N 0 0 170.187 1.064 10 0 ADAERN CN(C#N)C(=O)[C@@H]1CC[C@H](F)C1 306162384 345053705 /nfs/dbraw/zinc/05/37/05/345053705.db2.gz NPVPRPLISNUFSO-RQJHMYQMSA-N 0 0 170.187 1.064 10 0 ADAERN c1cc(N[C@H]2CCCOCC2)ncn1 306162397 345053718 /nfs/dbraw/zinc/05/37/18/345053718.db2.gz GQDIYRZIVTZHDN-VIFPVBQESA-N 0 0 193.250 1.458 10 0 ADAERN C/C=C(/C)C(=O)NC1(C)CC1 306162613 345053726 /nfs/dbraw/zinc/05/37/26/345053726.db2.gz GWEHXPIXXRSENA-DAXSKMNVSA-N 0 0 153.225 1.621 10 0 ADAERN CN(C#N)C(=O)[C@H]1CC[C@@H](F)C1 306162381 345053770 /nfs/dbraw/zinc/05/37/70/345053770.db2.gz NPVPRPLISNUFSO-NKWVEPMBSA-N 0 0 170.187 1.064 10 0 ADAERN CN(C#N)C(=O)[C@@H]1CC[C@@H](F)C1 306162382 345053799 /nfs/dbraw/zinc/05/37/99/345053799.db2.gz NPVPRPLISNUFSO-RNFRBKRXSA-N 0 0 170.187 1.064 10 0 ADAERN O=C1C[C@@H]2CCC[C@H](C1)N2CCF 306163242 345054132 /nfs/dbraw/zinc/05/41/32/345054132.db2.gz JRCLMXYOKOKBMX-DTORHVGOSA-N 0 0 185.242 1.542 10 0 ADAERN C[C@@H](C[C@H]1CCOC1)N1CC(F)C1 306163052 345054158 /nfs/dbraw/zinc/05/41/58/345054158.db2.gz QUTYPRFZTFEBME-DTWKUNHWSA-N 0 0 187.258 1.455 10 0 ADAERN C[C@H](C[C@@H]1CCOC1)N1CC(F)C1 306163047 345054203 /nfs/dbraw/zinc/05/42/03/345054203.db2.gz QUTYPRFZTFEBME-BDAKNGLRSA-N 0 0 187.258 1.455 10 0 ADAERN CC1(C)OCc2cc(Cl)nnc21 306162783 345054269 /nfs/dbraw/zinc/05/42/69/345054269.db2.gz FTUNWSSHUAGJPJ-UHFFFAOYSA-N 0 0 184.626 1.895 10 0 ADAERN Nc1nc2ccncc2n1C1CC1 306162731 345054327 /nfs/dbraw/zinc/05/43/27/345054327.db2.gz WUGZVMYNRCFWJT-UHFFFAOYSA-N 0 0 174.207 1.348 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cn(C)cn1 306162894 345054359 /nfs/dbraw/zinc/05/43/59/345054359.db2.gz SYPXBNDDXPPICO-BQBZGAKWSA-N 0 0 164.208 1.259 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1cn(C)cn1 306162901 345054384 /nfs/dbraw/zinc/05/43/84/345054384.db2.gz SYPXBNDDXPPICO-RQJHMYQMSA-N 0 0 164.208 1.259 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1cn(C)cn1 306162898 345054392 /nfs/dbraw/zinc/05/43/92/345054392.db2.gz SYPXBNDDXPPICO-RNFRBKRXSA-N 0 0 164.208 1.259 10 0 ADAERN CC(C)Sc1nc2ncccn2n1 306163161 345054439 /nfs/dbraw/zinc/05/44/39/345054439.db2.gz RCHVGEOWYORVMX-UHFFFAOYSA-N 0 0 194.263 1.625 10 0 ADAERN Cc1cc(-c2cn[nH]c2)cnn1 306162870 345054488 /nfs/dbraw/zinc/05/44/88/345054488.db2.gz SVTRSUWPTUMZTB-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Nc1nsc(N2CCC2)c1C1CC1 306162749 345054491 /nfs/dbraw/zinc/05/44/91/345054491.db2.gz XAPJRDCZEAKACD-UHFFFAOYSA-N 0 0 195.291 1.813 10 0 ADAERN C[C@@H](C[C@@H]1CCOC1)N1CC(F)C1 306163056 345054494 /nfs/dbraw/zinc/05/44/94/345054494.db2.gz QUTYPRFZTFEBME-IUCAKERBSA-N 0 0 187.258 1.455 10 0 ADAERN C[C@H](C[C@H]1CCOC1)N1CC(F)C1 306163061 345054513 /nfs/dbraw/zinc/05/45/13/345054513.db2.gz QUTYPRFZTFEBME-RKDXNWHRSA-N 0 0 187.258 1.455 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1cn(C)cn1 306162897 345054519 /nfs/dbraw/zinc/05/45/19/345054519.db2.gz SYPXBNDDXPPICO-NKWVEPMBSA-N 0 0 164.208 1.259 10 0 ADAERN CN(C)c1cncc(NC2CCC2)n1 306163257 345054530 /nfs/dbraw/zinc/05/45/30/345054530.db2.gz HGPWXBKODYXJTH-UHFFFAOYSA-N 0 0 192.266 1.507 10 0 ADAERN Cn1cc(Cn2ccc(Cl)n2)cn1 306163698 345054801 /nfs/dbraw/zinc/05/48/01/345054801.db2.gz HUIVTBVBHOGRJF-UHFFFAOYSA-N 0 0 196.641 1.318 10 0 ADAERN S=c1cnc2c([nH]1)CCCC2 306163553 345054830 /nfs/dbraw/zinc/05/48/30/345054830.db2.gz AISWWKRCRRUCOP-UHFFFAOYSA-N 0 0 166.249 1.644 10 0 ADAERN CC(C)(C)Nc1nc(N)ns1 306163630 345054925 /nfs/dbraw/zinc/05/49/25/345054925.db2.gz HPLDLLUECVTMLU-UHFFFAOYSA-N 0 0 172.257 1.331 10 0 ADAERN CC(C)(F)C(=O)Nc1ncc[nH]1 306163827 345054962 /nfs/dbraw/zinc/05/49/62/345054962.db2.gz AMMMRBRBPBUZJJ-UHFFFAOYSA-N 0 0 171.175 1.096 10 0 ADAERN CC[C@@H]1CCN1C(=S)NC1CCC1 306164173 345055128 /nfs/dbraw/zinc/05/51/28/345055128.db2.gz HVCJRLAXQCAJLV-SECBINFHSA-N 0 0 198.335 1.898 10 0 ADAERN CC[C@H]1CCN1C(=S)NC1CCC1 306164174 345055321 /nfs/dbraw/zinc/05/53/21/345055321.db2.gz HVCJRLAXQCAJLV-VIFPVBQESA-N 0 0 198.335 1.898 10 0 ADAERN NC(=S)Cc1cccc(NC=O)c1 306164254 345055403 /nfs/dbraw/zinc/05/54/03/345055403.db2.gz HZJYHDSLQLNPRT-UHFFFAOYSA-N 0 0 194.259 1.084 10 0 ADAERN CC(F)(F)[C@H](N)c1ccoc1 306164123 345055405 /nfs/dbraw/zinc/05/54/05/345055405.db2.gz OKAUPDYQCRPBBP-ZCFIWIBFSA-N 0 0 161.151 1.935 10 0 ADAERN CC(F)(F)[C@@H](N)c1ccoc1 306164118 345055439 /nfs/dbraw/zinc/05/54/39/345055439.db2.gz OKAUPDYQCRPBBP-LURJTMIESA-N 0 0 161.151 1.935 10 0 ADAERN CC1(C)CCCN1c1ncccn1 306164380 345055559 /nfs/dbraw/zinc/05/55/59/345055559.db2.gz SQYYZTKDRFOABU-UHFFFAOYSA-N 0 0 177.251 1.855 10 0 ADAERN CC(=O)CC(=O)N[C@H]1CCC1(C)C 306164954 345055742 /nfs/dbraw/zinc/05/57/42/345055742.db2.gz OMVXMVZDHKQPPC-QMMMGPOBSA-N 0 0 183.251 1.270 10 0 ADAERN CSC1([C@H]2[NH2+][C@@H](C)CS2)CC1 306165030 345055758 /nfs/dbraw/zinc/05/57/58/345055758.db2.gz HCBRYAHJRUOGRK-BQBZGAKWSA-N 0 0 189.349 1.933 10 0 ADAERN CSC1([C@H]2[NH2+][C@H](C)CS2)CC1 306165036 345055789 /nfs/dbraw/zinc/05/57/89/345055789.db2.gz HCBRYAHJRUOGRK-RQJHMYQMSA-N 0 0 189.349 1.933 10 0 ADAERN CSc1nc(C)nc2[nH]ccc12 306164900 345055833 /nfs/dbraw/zinc/05/58/33/345055833.db2.gz OKAZPMCXPINQNG-UHFFFAOYSA-N 0 0 179.248 1.988 10 0 ADAERN CCN1CCOc2ccccc2C1=O 306164682 345055837 /nfs/dbraw/zinc/05/58/37/345055837.db2.gz BFJWFUFYQRSDAU-UHFFFAOYSA-N 0 0 191.230 1.541 10 0 ADAERN Cc1cc(C)c([C@@H](CO)NO)c(C)c1 306164542 345055839 /nfs/dbraw/zinc/05/58/39/345055839.db2.gz AMMFADHXNPMGHC-SNVBAGLBSA-N 0 0 195.262 1.624 10 0 ADAERN CSC1([C@@H]2[NH2+][C@H](C)CS2)CC1 306165034 345055843 /nfs/dbraw/zinc/05/58/43/345055843.db2.gz HCBRYAHJRUOGRK-RNFRBKRXSA-N 0 0 189.349 1.933 10 0 ADAERN C[C@H](Nc1ncccn1)c1ccc[nH]1 306164423 345055863 /nfs/dbraw/zinc/05/58/63/345055863.db2.gz IFODOFZORBHJAY-QMMMGPOBSA-N 0 0 188.234 1.978 10 0 ADAERN C[C@@H](Nc1ncccn1)c1ccc[nH]1 306164421 345055925 /nfs/dbraw/zinc/05/59/25/345055925.db2.gz IFODOFZORBHJAY-MRVPVSSYSA-N 0 0 188.234 1.978 10 0 ADAERN CC(=O)CC(=O)N[C@@H]1CCC1(C)C 306164953 345055969 /nfs/dbraw/zinc/05/59/69/345055969.db2.gz OMVXMVZDHKQPPC-MRVPVSSYSA-N 0 0 183.251 1.270 10 0 ADAERN C[C@@H](O)c1n[nH]c([C@H]2CCCS2)n1 306164496 345055996 /nfs/dbraw/zinc/05/59/96/345055996.db2.gz BIYFLIMJMBZSTP-PHDIDXHHSA-N 0 0 199.279 1.426 10 0 ADAERN C[C@H](O)c1n[nH]c([C@H]2CCCS2)n1 306164495 345056006 /nfs/dbraw/zinc/05/60/06/345056006.db2.gz BIYFLIMJMBZSTP-NTSWFWBYSA-N 0 0 199.279 1.426 10 0 ADAERN CSC1([C@@H]2[NH2+][C@@H](C)CS2)CC1 306165033 345056107 /nfs/dbraw/zinc/05/61/07/345056107.db2.gz HCBRYAHJRUOGRK-NKWVEPMBSA-N 0 0 189.349 1.933 10 0 ADAERN C[C@H](O)c1n[nH]c([C@@H]2CCCS2)n1 306164498 345056143 /nfs/dbraw/zinc/05/61/43/345056143.db2.gz BIYFLIMJMBZSTP-WDSKDSINSA-N 0 0 199.279 1.426 10 0 ADAERN C[C@@H](O)c1n[nH]c([C@@H]2CCCS2)n1 306164497 345056161 /nfs/dbraw/zinc/05/61/61/345056161.db2.gz BIYFLIMJMBZSTP-RITPCOANSA-N 0 0 199.279 1.426 10 0 ADAERN C[C@@H]1CC[C@]1(O)c1cncc(F)c1 306165631 345056355 /nfs/dbraw/zinc/05/63/55/345056355.db2.gz VWTKMUZLWBDTHT-GMSGAONNSA-N 0 0 181.210 1.838 10 0 ADAERN CONC(=O)N1CCCC(C)(C)C1 306165444 345056490 /nfs/dbraw/zinc/05/64/90/345056490.db2.gz UAVPVKQJXIQMOV-UHFFFAOYSA-N 0 0 186.255 1.379 10 0 ADAERN C[C@H]1CC[C@@]1(O)c1cncc(F)c1 306165644 345056518 /nfs/dbraw/zinc/05/65/18/345056518.db2.gz VWTKMUZLWBDTHT-XVKPBYJWSA-N 0 0 181.210 1.838 10 0 ADAERN Cc1cc(C(=O)[O-])cc(NCCF)[nH+]1 306165496 345056536 /nfs/dbraw/zinc/05/65/36/345056536.db2.gz UBZGOTGRKVTZMR-UHFFFAOYSA-N 0 0 198.197 1.470 10 0 ADAERN CCN(C)C(=O)N1CCC1(C)C 306165493 345056756 /nfs/dbraw/zinc/05/67/56/345056756.db2.gz VKKJNGNNGZWOPA-UHFFFAOYSA-N 0 0 170.256 1.542 10 0 ADAERN C[C@H]1CC[C@]1(O)c1cncc(F)c1 306165636 345056803 /nfs/dbraw/zinc/05/68/03/345056803.db2.gz VWTKMUZLWBDTHT-OIBJUYFYSA-N 0 0 181.210 1.838 10 0 ADAERN COC[C@H]1CC[C@@H]1Nc1ncccn1 306165808 345057117 /nfs/dbraw/zinc/05/71/17/345057117.db2.gz ILKPUVYAJUDFRC-BDAKNGLRSA-N 0 0 193.250 1.314 10 0 ADAERN COC(=O)c1nccc2[nH]ccc12 306166184 345057215 /nfs/dbraw/zinc/05/72/15/345057215.db2.gz PKJBDPMYFGGRMF-UHFFFAOYSA-N 0 0 176.175 1.301 10 0 ADAERN Cc1noc([C@H]2C[C@@H]2C)n1 306165952 345057364 /nfs/dbraw/zinc/05/73/64/345057364.db2.gz IROLDKNKJVRKDU-NJGYIYPDSA-N 0 0 138.170 1.501 10 0 ADAERN O=C(CC1CCC1)Nc1ccno1 306165990 345057379 /nfs/dbraw/zinc/05/73/79/345057379.db2.gz ITGQECBCQAUKHN-UHFFFAOYSA-N 0 0 180.207 1.803 10 0 ADAERN CO[C@H]1C[C@@H](Nc2ncns2)C1 306167058 345057733 /nfs/dbraw/zinc/05/77/33/345057733.db2.gz WLNVGCFBLGUSOX-OLQVQODUSA-N 0 0 185.252 1.127 10 0 ADAERN CN(CC1CC1)C1=NC(=O)CS1 306167073 345057738 /nfs/dbraw/zinc/05/77/38/345057738.db2.gz WRRCYAWQNPCQMZ-UHFFFAOYSA-N 0 0 184.264 1.695 10 0 ADAERN C[C@@H](CF)NC(=O)Nc1ccco1 306166886 345057774 /nfs/dbraw/zinc/05/77/74/345057774.db2.gz USCKDEONEFUMMZ-LURJTMIESA-N 0 0 186.186 1.759 10 0 ADAERN Cc1cnc(NCCCF)nc1 306167056 345057878 /nfs/dbraw/zinc/05/78/78/345057878.db2.gz WJJKNNVAVLDEDV-UHFFFAOYSA-N 0 0 169.203 1.557 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)no1 306166944 345057882 /nfs/dbraw/zinc/05/78/82/345057882.db2.gz UVIAITJKBYGLCI-IYSWYEEDSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)no1 306166946 345057906 /nfs/dbraw/zinc/05/79/06/345057906.db2.gz UVIAITJKBYGLCI-VDTYLAMSSA-N 0 0 180.207 1.121 10 0 ADAERN C[C@@H]1C[C@@]2(C[NH2+]CCO2)[C@@H]1C 306167455 345058320 /nfs/dbraw/zinc/05/83/20/345058320.db2.gz NQSWLBDCPRUSBM-IWSPIJDZSA-N 0 0 155.241 1.021 10 0 ADAERN CON(C)C(=O)[C@H]1CC[C@@H](F)C1 306167137 345058331 /nfs/dbraw/zinc/05/83/31/345058331.db2.gz XCMHRXFBMFGDNZ-NKWVEPMBSA-N 0 0 175.203 1.144 10 0 ADAERN CON(C)C(=O)[C@@H]1CC[C@H](F)C1 306167141 345058443 /nfs/dbraw/zinc/05/84/43/345058443.db2.gz XCMHRXFBMFGDNZ-RQJHMYQMSA-N 0 0 175.203 1.144 10 0 ADAERN Cn1ncnc1-c1ccsc1C[NH3+] 306167348 345058407 /nfs/dbraw/zinc/05/84/07/345058407.db2.gz PWTGFRXTBIQDRL-UHFFFAOYSA-N 0 0 194.263 1.002 10 0 ADAERN CON(C)C(=O)[C@H]1CC[C@H](F)C1 306167136 345058482 /nfs/dbraw/zinc/05/84/82/345058482.db2.gz XCMHRXFBMFGDNZ-BQBZGAKWSA-N 0 0 175.203 1.144 10 0 ADAERN FC(F)[C@H]1C[C@@H]1Nc1ncns1 306167677 345058577 /nfs/dbraw/zinc/05/85/77/345058577.db2.gz DTHGNOXADREIKS-IMJSIDKUSA-N 0 0 191.206 1.604 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]12C[NH2+]CCO2 306167454 345058645 /nfs/dbraw/zinc/05/86/45/345058645.db2.gz NQSWLBDCPRUSBM-HRDYMLBCSA-N 0 0 155.241 1.021 10 0 ADAERN O=C(c1cc(F)ccc1F)N1CC1 306167270 345058806 /nfs/dbraw/zinc/05/88/06/345058806.db2.gz JMFNEFXQYLRMGD-UHFFFAOYSA-N 0 0 183.157 1.421 10 0 ADAERN CCc1ncnc(C2([NH3+])CC2)c1F 306167595 345058854 /nfs/dbraw/zinc/05/88/54/345058854.db2.gz DPXXWHSFJYDKMO-UHFFFAOYSA-N 0 0 181.214 1.126 10 0 ADAERN C[C@H]1[C@H](C)C[C@]12C[NH2+]CCO2 306167456 345058880 /nfs/dbraw/zinc/05/88/80/345058880.db2.gz NQSWLBDCPRUSBM-VGMNWLOBSA-N 0 0 155.241 1.021 10 0 ADAERN C[C@@H]1C[C@]2(C[NH2+]CCO2)[C@@H]1C 306167453 345058910 /nfs/dbraw/zinc/05/89/10/345058910.db2.gz NQSWLBDCPRUSBM-HLTSFMKQSA-N 0 0 155.241 1.021 10 0 ADAERN Cc1cncc(N[C@@H]2C[C@H]2C)n1 306167124 345058917 /nfs/dbraw/zinc/05/89/17/345058917.db2.gz JBMLDORCKRDOCM-HTRCEHHLSA-N 0 0 163.224 1.605 10 0 ADAERN CON(C)C(=O)[C@@H]1CC[C@@H](F)C1 306167139 345058928 /nfs/dbraw/zinc/05/89/28/345058928.db2.gz XCMHRXFBMFGDNZ-RNFRBKRXSA-N 0 0 175.203 1.144 10 0 ADAERN CC(C)[C@@H]1CCCC[N@@H+]1[C@H](C)C(=O)[O-] 306168145 345059054 /nfs/dbraw/zinc/05/90/54/345059054.db2.gz JNRNBLRURSWQRG-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN NCc1noc(-c2sccc2F)n1 306168168 345059070 /nfs/dbraw/zinc/05/90/70/345059070.db2.gz VTAAUQYNCRFOOU-UHFFFAOYSA-N 0 0 199.210 1.396 10 0 ADAERN COCC(=O)NC1[C@H](C)CC[C@H]1C 306168119 345059074 /nfs/dbraw/zinc/05/90/74/345059074.db2.gz VPHRNSQUOXWBRH-HTQZYQBOSA-N 0 0 185.267 1.184 10 0 ADAERN CCC(C)(C)C(=O)N[C@H]1C[C@@H]1C 306168339 345059077 /nfs/dbraw/zinc/05/90/77/345059077.db2.gz QFGGUYCMBSFBSE-YUMQZZPRSA-N 0 0 169.268 1.947 10 0 ADAERN CNc1ccc([C@@H]2C[C@@H]2C)nn1 306167745 345059080 /nfs/dbraw/zinc/05/90/80/345059080.db2.gz CFQKIQBHUKIBAV-NKWVEPMBSA-N 0 0 163.224 1.642 10 0 ADAERN Cc1ncc(CN2CC(F)C2)s1 306168032 345059086 /nfs/dbraw/zinc/05/90/86/345059086.db2.gz IPARIVRSNPHXCN-UHFFFAOYSA-N 0 0 186.255 1.605 10 0 ADAERN COCC(=O)NC1[C@@H](C)CC[C@@H]1C 306168128 345059089 /nfs/dbraw/zinc/05/90/89/345059089.db2.gz VPHRNSQUOXWBRH-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN CNc1ccc([C@H]2C[C@H]2C)nn1 306167753 345059100 /nfs/dbraw/zinc/05/91/00/345059100.db2.gz CFQKIQBHUKIBAV-RQJHMYQMSA-N 0 0 163.224 1.642 10 0 ADAERN OCCNc1ccc2sncc2c1 306167744 345059122 /nfs/dbraw/zinc/05/91/22/345059122.db2.gz FCGTULFFFBZGQH-UHFFFAOYSA-N 0 0 194.259 1.701 10 0 ADAERN CC(C)[C@H]1CCCC[N@@H+]1[C@@H](C)C(=O)[O-] 306168139 345059174 /nfs/dbraw/zinc/05/91/74/345059174.db2.gz JNRNBLRURSWQRG-VHSXEESVSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[C@H]1CCCC[N@@H+]1[C@H](C)C(=O)[O-] 306168127 345059187 /nfs/dbraw/zinc/05/91/87/345059187.db2.gz JNRNBLRURSWQRG-NXEZZACHSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H]1[C@@H](n2nccc2N)C[C@H]1C 306168066 345059194 /nfs/dbraw/zinc/05/91/94/345059194.db2.gz XIYZZMXUEACUCD-CSMHCCOUSA-N 0 0 165.240 1.682 10 0 ADAERN CNc1ccc([C@H]2C[C@@H]2C)nn1 306167743 345059208 /nfs/dbraw/zinc/05/92/08/345059208.db2.gz CFQKIQBHUKIBAV-BQBZGAKWSA-N 0 0 163.224 1.642 10 0 ADAERN CNc1ccc([C@@H]2C[C@H]2C)nn1 306167749 345059212 /nfs/dbraw/zinc/05/92/12/345059212.db2.gz CFQKIQBHUKIBAV-RNFRBKRXSA-N 0 0 163.224 1.642 10 0 ADAERN CCC(C)(C)C(=O)N[C@H]1C[C@H]1C 306168329 345059237 /nfs/dbraw/zinc/05/92/37/345059237.db2.gz QFGGUYCMBSFBSE-SFYZADRCSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1n1nccc1N 306168067 345059255 /nfs/dbraw/zinc/05/92/55/345059255.db2.gz XIYZZMXUEACUCD-GJMOJQLCSA-N 0 0 165.240 1.682 10 0 ADAERN CCC(C)(C)C(=O)N[C@@H]1C[C@H]1C 306168313 345059271 /nfs/dbraw/zinc/05/92/71/345059271.db2.gz QFGGUYCMBSFBSE-HTQZYQBOSA-N 0 0 169.268 1.947 10 0 ADAERN Cn1ncc(-c2ccccc2N)n1 306167853 345059285 /nfs/dbraw/zinc/05/92/85/345059285.db2.gz FSUIFVUWISRMNR-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC(C)[C@@H]1CCCC[N@@H+]1[C@@H](C)C(=O)[O-] 306168131 345059320 /nfs/dbraw/zinc/05/93/20/345059320.db2.gz JNRNBLRURSWQRG-UWVGGRQHSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H]1C[C@@H](n2nccc2N)[C@@H]1C 306168065 345059328 /nfs/dbraw/zinc/05/93/28/345059328.db2.gz XIYZZMXUEACUCD-BWZBUEFSSA-N 0 0 165.240 1.682 10 0 ADAERN COCC(=O)N[C@@H]1[C@@H](C)CC[C@H]1C 306168123 345059331 /nfs/dbraw/zinc/05/93/31/345059331.db2.gz VPHRNSQUOXWBRH-MBTKJCJQSA-N 0 0 185.267 1.184 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1cocn1 306168069 345059408 /nfs/dbraw/zinc/05/94/08/345059408.db2.gz VOFWOOAMMMWUSR-SSDOTTSWSA-N 0 0 180.207 1.203 10 0 ADAERN CCCNc1n[nH]c2c1C[C@@H]1C[C@H]21 306168192 345059421 /nfs/dbraw/zinc/05/94/21/345059421.db2.gz QDOIBRZSAYHMMU-BQBZGAKWSA-N 0 0 177.251 1.891 10 0 ADAERN C[C@@H]1C[C@H](n2nccc2N)[C@@H]1C 306168075 345059426 /nfs/dbraw/zinc/05/94/26/345059426.db2.gz XIYZZMXUEACUCD-PRJMDXOYSA-N 0 0 165.240 1.682 10 0 ADAERN CCCNc1n[nH]c2c1C[C@H]1C[C@@H]21 306168207 345059430 /nfs/dbraw/zinc/05/94/30/345059430.db2.gz QDOIBRZSAYHMMU-RNFRBKRXSA-N 0 0 177.251 1.891 10 0 ADAERN CC[C@H](C)Nc1ccc(=O)[nH]c1 306168815 345059712 /nfs/dbraw/zinc/05/97/12/345059712.db2.gz PCZUTDGTHPZUMF-ZETCQYMHSA-N 0 0 166.224 1.998 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCS[C@H]1C 306168531 345059756 /nfs/dbraw/zinc/05/97/56/345059756.db2.gz FGCNEBKMPKWEOG-HENSLRDNSA-N 0 0 185.292 1.573 10 0 ADAERN CC[C@@H](C)Nc1ccc(=O)[nH]c1 306168808 345059943 /nfs/dbraw/zinc/05/99/43/345059943.db2.gz PCZUTDGTHPZUMF-SSDOTTSWSA-N 0 0 166.224 1.998 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCS[C@@H]1C 306168549 345059990 /nfs/dbraw/zinc/05/99/90/345059990.db2.gz FGCNEBKMPKWEOG-ZGNIKFQOSA-N 0 0 185.292 1.573 10 0 ADAERN CC(F)(F)Cc1csc(N)n1 306168659 345060027 /nfs/dbraw/zinc/06/00/27/345060027.db2.gz FIJDERADCUUZIY-UHFFFAOYSA-N 0 0 178.207 1.923 10 0 ADAERN Cc1nnc([C@H](C)N(C)C)o1 306169199 345060307 /nfs/dbraw/zinc/06/03/07/345060307.db2.gz AESMPHLDEIDXGG-YFKPBYRVSA-N 0 0 155.201 1.001 10 0 ADAERN CC(C)(F)c1n[nH]c(C2CC2)n1 306169399 345060451 /nfs/dbraw/zinc/06/04/51/345060451.db2.gz FZSISMGNLZQXEN-UHFFFAOYSA-N 0 0 169.203 1.887 10 0 ADAERN CC[C@H](C)Nc1nc(C(N)=O)cs1 306169693 345060833 /nfs/dbraw/zinc/06/08/33/345060833.db2.gz KAXBUVWSYXGLJD-YFKPBYRVSA-N 0 0 199.279 1.452 10 0 ADAERN Cc1cc(N[C@H]2CC[C@H]2C)nn1C 306169788 345060880 /nfs/dbraw/zinc/06/08/80/345060880.db2.gz RIZWFPOJGZDWDV-APPZFPTMSA-N 0 0 179.267 1.939 10 0 ADAERN N[C@@H](c1ccc[nH]1)c1cncs1 306169620 345060930 /nfs/dbraw/zinc/06/09/30/345060930.db2.gz APKUNRIKRSJHRK-QMMMGPOBSA-N 0 0 179.248 1.519 10 0 ADAERN Cc1cc(N[C@H]2CC[C@@H]2C)nn1C 306169795 345060965 /nfs/dbraw/zinc/06/09/65/345060965.db2.gz RIZWFPOJGZDWDV-CBAPKCEASA-N 0 0 179.267 1.939 10 0 ADAERN COc1ncc([C@@H]2CCCC2=O)s1 306169943 345060986 /nfs/dbraw/zinc/06/09/86/345060986.db2.gz RNHPIGXQQYBPQM-ZCFIWIBFSA-N 0 0 197.259 1.988 10 0 ADAERN Cc1cc(N[C@@H]2CC[C@H]2C)nn1C 306169806 345060989 /nfs/dbraw/zinc/06/09/89/345060989.db2.gz RIZWFPOJGZDWDV-VXNVDRBHSA-N 0 0 179.267 1.939 10 0 ADAERN Cc1cc(N[C@@H]2CC[C@@H]2C)nn1C 306169801 345061113 /nfs/dbraw/zinc/06/11/13/345061113.db2.gz RIZWFPOJGZDWDV-IONNQARKSA-N 0 0 179.267 1.939 10 0 ADAERN N[C@H](c1ccc[nH]1)c1cncs1 306169616 345061065 /nfs/dbraw/zinc/06/10/65/345061065.db2.gz APKUNRIKRSJHRK-MRVPVSSYSA-N 0 0 179.248 1.519 10 0 ADAERN CC[C@@H](C)Nc1nc(C(N)=O)cs1 306169686 345061135 /nfs/dbraw/zinc/06/11/35/345061135.db2.gz KAXBUVWSYXGLJD-RXMQYKEDSA-N 0 0 199.279 1.452 10 0 ADAERN O=c1cncc(C2=CCCC2)[nH]1 306169799 345061149 /nfs/dbraw/zinc/06/11/49/345061149.db2.gz YFSFLFLTABVPDH-UHFFFAOYSA-N 0 0 162.192 1.750 10 0 ADAERN COc1ncc([C@H]2CCCC2=O)s1 306169937 345061189 /nfs/dbraw/zinc/06/11/89/345061189.db2.gz RNHPIGXQQYBPQM-LURJTMIESA-N 0 0 197.259 1.988 10 0 ADAERN O=C1N[C@@H](C2CC2)C12CCCC2 306170439 345061451 /nfs/dbraw/zinc/06/14/51/345061451.db2.gz SBJWLWYOXLBDJO-QMMMGPOBSA-N 0 0 165.236 1.455 10 0 ADAERN C1CC1Nc1n[nH]c2c1C[C@@H]1C[C@H]21 306170413 345061563 /nfs/dbraw/zinc/06/15/63/345061563.db2.gz JWCJIGLREGMNKY-FSPLSTOPSA-N 0 0 175.235 1.644 10 0 ADAERN C1CC1Nc1n[nH]c2c1C[C@H]1C[C@@H]21 306170415 345061566 /nfs/dbraw/zinc/06/15/66/345061566.db2.gz JWCJIGLREGMNKY-IYSWYEEDSA-N 0 0 175.235 1.644 10 0 ADAERN O=C(OC1CCC1)c1ccccn1 306170006 345061616 /nfs/dbraw/zinc/06/16/16/345061616.db2.gz KJNVGOXTOONKBI-UHFFFAOYSA-N 0 0 177.203 1.791 10 0 ADAERN Cc1nc(-c2nc(N)cs2)co1 306169973 345061651 /nfs/dbraw/zinc/06/16/51/345061651.db2.gz YPHOATCVGNMMHU-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN O=C1N[C@H](C2CC2)C12CCCC2 306170438 345061764 /nfs/dbraw/zinc/06/17/64/345061764.db2.gz SBJWLWYOXLBDJO-MRVPVSSYSA-N 0 0 165.236 1.455 10 0 ADAERN CC(=O)Nc1nc(C(C)(C)C)no1 306170946 345062084 /nfs/dbraw/zinc/06/20/84/345062084.db2.gz YLKKGGVAGYXRIJ-UHFFFAOYSA-N 0 0 183.211 1.326 10 0 ADAERN Cc1nc(C(=N)NC(C)C)co1 306170940 345062122 /nfs/dbraw/zinc/06/21/22/345062122.db2.gz RYWBUVQXSQDMJG-UHFFFAOYSA-N 0 0 167.212 1.306 10 0 ADAERN C[C@H](NC(=O)[C@@H]1CCO1)C1CCC1 306170759 345062154 /nfs/dbraw/zinc/06/21/54/345062154.db2.gz KRAIKAAPJWPALT-CBAPKCEASA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H](NC(=O)[C@H]1CCO1)C1CCC1 306170761 345062169 /nfs/dbraw/zinc/06/21/69/345062169.db2.gz KRAIKAAPJWPALT-IONNQARKSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1n[nH]c(C)c1-c1cc[nH]n1 306170885 345062227 /nfs/dbraw/zinc/06/22/27/345062227.db2.gz RWNLEPAFNNQTBG-UHFFFAOYSA-N 0 0 162.196 1.417 10 0 ADAERN ONc1ncnc2c1CCCC2 306171069 345062556 /nfs/dbraw/zinc/06/25/56/345062556.db2.gz SFVNQZKRYOBTPN-UHFFFAOYSA-N 0 0 165.196 1.157 10 0 ADAERN O=c1[n-]c(F)ccc1Br 306171038 345062624 /nfs/dbraw/zinc/06/26/24/345062624.db2.gz BYIMGKUSZAPATJ-UHFFFAOYSA-N 0 0 191.987 1.689 10 0 ADAERN CC1=CC(C)(C)Nc2ncnn21 306171007 345062657 /nfs/dbraw/zinc/06/26/57/345062657.db2.gz SAWGNKMEXRBVHX-UHFFFAOYSA-N 0 0 164.212 1.343 10 0 ADAERN CC1(C)CC[C@@]1(O)c1cnc(N)s1 306171137 345062692 /nfs/dbraw/zinc/06/26/92/345062692.db2.gz SJFZMBQUQNTZSN-SECBINFHSA-N 0 0 198.291 1.733 10 0 ADAERN CN(C(=O)C(C)(C)F)[C@@H]1CC1(C)C 306171002 345062707 /nfs/dbraw/zinc/06/27/07/345062707.db2.gz YPBVOFNJSAJUCB-SSDOTTSWSA-N 0 0 187.258 1.991 10 0 ADAERN C[C@H]1CSC[C@@H]1NCC(F)(F)F 306171244 345062767 /nfs/dbraw/zinc/06/27/67/345062767.db2.gz ZKYYOJKFTXZDLO-WDSKDSINSA-N 0 0 199.241 1.890 10 0 ADAERN CC1(C)CC[C@]1(O)c1cnc(N)s1 306171141 345062783 /nfs/dbraw/zinc/06/27/83/345062783.db2.gz SJFZMBQUQNTZSN-VIFPVBQESA-N 0 0 198.291 1.733 10 0 ADAERN CN(C(=O)C(C)(C)F)[C@H]1CC1(C)C 306171010 345062813 /nfs/dbraw/zinc/06/28/13/345062813.db2.gz YPBVOFNJSAJUCB-ZETCQYMHSA-N 0 0 187.258 1.991 10 0 ADAERN CCN(c1nc(C)ns1)C1CC1 306171104 345062868 /nfs/dbraw/zinc/06/28/68/345062868.db2.gz ZENUWQZCOBOOFG-UHFFFAOYSA-N 0 0 183.280 1.835 10 0 ADAERN O=C(c1cccc(F)n1)N1CCC1 306171898 345063346 /nfs/dbraw/zinc/06/33/46/345063346.db2.gz AQOIHRIHDINCIQ-UHFFFAOYSA-N 0 0 180.182 1.067 10 0 ADAERN Fc1cnc2cc[nH]c2c1 306172130 345063405 /nfs/dbraw/zinc/06/34/05/345063405.db2.gz FQVSKVDGRLEGRQ-UHFFFAOYSA-N 0 0 136.129 1.654 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1occc1N 306172147 345063416 /nfs/dbraw/zinc/06/34/16/345063416.db2.gz FRGVHMXKJFMQEI-FSPLSTOPSA-N 0 0 180.207 1.000 10 0 ADAERN Nc1noc(-c2sccc2F)n1 306171367 345063417 /nfs/dbraw/zinc/06/34/17/345063417.db2.gz KKSVQMSZMMUFRP-UHFFFAOYSA-N 0 0 185.183 1.519 10 0 ADAERN CC[C@]1(C2CCC2)CC(=O)N1 306171978 345063428 /nfs/dbraw/zinc/06/34/28/345063428.db2.gz AWABSHLGOLKEDJ-SECBINFHSA-N 0 0 153.225 1.455 10 0 ADAERN CC[C@@]1(C2CCC2)CC(=O)N1 306171983 345063460 /nfs/dbraw/zinc/06/34/60/345063460.db2.gz AWABSHLGOLKEDJ-VIFPVBQESA-N 0 0 153.225 1.455 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1occc1N 306172144 345063467 /nfs/dbraw/zinc/06/34/67/345063467.db2.gz FRGVHMXKJFMQEI-CAHLUQPWSA-N 0 0 180.207 1.000 10 0 ADAERN Oc1cc(F)cc(CN2CCC2)c1 306171553 345063475 /nfs/dbraw/zinc/06/34/75/345063475.db2.gz KROHTRFTDOXEIP-UHFFFAOYSA-N 0 0 181.210 1.737 10 0 ADAERN C[C@H](O)[C@@H](C)NC(=O)C1CCCC1 306172263 345063782 /nfs/dbraw/zinc/06/37/82/345063782.db2.gz YVELRUDZJZINFE-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN FC1(CNc2cnccn2)CCC1 306172715 345063797 /nfs/dbraw/zinc/06/37/97/345063797.db2.gz LOLPOGKBGNUTDF-UHFFFAOYSA-N 0 0 181.214 1.781 10 0 ADAERN CC(=O)C[C@H](C)N1CCC(F)(F)C1 306172382 345063814 /nfs/dbraw/zinc/06/38/14/345063814.db2.gz LHYDUTXANHVIPZ-ZETCQYMHSA-N 0 0 191.221 1.695 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1CCCC1=O 306172683 345063823 /nfs/dbraw/zinc/06/38/23/345063823.db2.gz BHCXSRCNCCJALN-MRVPVSSYSA-N 0 0 181.235 1.190 10 0 ADAERN CN(CC(F)F)C1=NC(=O)CS1 306172600 345063830 /nfs/dbraw/zinc/06/38/30/345063830.db2.gz DZDRNBFEMHERRV-UHFFFAOYSA-N 0 0 194.206 1.550 10 0 ADAERN C[C@H]1C[C@@H](Cn2cncn2)CCO1 306172293 345063918 /nfs/dbraw/zinc/06/39/18/345063918.db2.gz ZCONBSPNNLXCOM-IUCAKERBSA-N 0 0 181.239 1.093 10 0 ADAERN Cc1cc(N)cc(C(N)=S)c1 306172696 345063920 /nfs/dbraw/zinc/06/39/20/345063920.db2.gz BHDNNJMOJTZGAG-UHFFFAOYSA-N 0 0 166.249 1.211 10 0 ADAERN O=C(CCC(F)F)Nc1ncc[nH]1 306172377 345063942 /nfs/dbraw/zinc/06/39/42/345063942.db2.gz LHWDMXXYPXRSBK-UHFFFAOYSA-N 0 0 189.165 1.394 10 0 ADAERN C[C@H](NC(=O)C1CCCC1)[C@@H](C)O 306172262 345063975 /nfs/dbraw/zinc/06/39/75/345063975.db2.gz YVELRUDZJZINFE-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CCCC1=O 306172689 345063986 /nfs/dbraw/zinc/06/39/86/345063986.db2.gz BHCXSRCNCCJALN-QMMMGPOBSA-N 0 0 181.235 1.190 10 0 ADAERN C[C@@H](O)[C@@H](C)NC(=O)C1CCCC1 306172261 345063989 /nfs/dbraw/zinc/06/39/89/345063989.db2.gz YVELRUDZJZINFE-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN CC(=O)C[C@@H](C)N1CCC(F)(F)C1 306172380 345064016 /nfs/dbraw/zinc/06/40/16/345064016.db2.gz LHYDUTXANHVIPZ-SSDOTTSWSA-N 0 0 191.221 1.695 10 0 ADAERN C[C@H]1C[C@H](Cn2cncn2)CCO1 306172292 345064032 /nfs/dbraw/zinc/06/40/32/345064032.db2.gz ZCONBSPNNLXCOM-DTWKUNHWSA-N 0 0 181.239 1.093 10 0 ADAERN C[C@H](O)[C@H](C)NC(=O)C1CCCC1 306172264 345064058 /nfs/dbraw/zinc/06/40/58/345064058.db2.gz YVELRUDZJZINFE-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN O=C(NC1CCCC1)C1(F)CCC1 306172523 345064068 /nfs/dbraw/zinc/06/40/68/345064068.db2.gz BFAKVDLQBUJWAL-UHFFFAOYSA-N 0 0 185.242 1.937 10 0 ADAERN CNc1nc(N)c2sccc2n1 306172588 345064096 /nfs/dbraw/zinc/06/40/96/345064096.db2.gz BFVWFTMQIMDSJI-UHFFFAOYSA-N 0 0 180.236 1.315 10 0 ADAERN COCC(=O)NC1CCC(F)CC1 306173069 345064342 /nfs/dbraw/zinc/06/43/42/345064342.db2.gz ZSNSXKNQTMKSBO-UHFFFAOYSA-N 0 0 189.230 1.030 10 0 ADAERN CN(C#N)C(=O)C[C@@H]1C=CCC1 306172877 345064347 /nfs/dbraw/zinc/06/43/47/345064347.db2.gz TZDOWIUAWDEXRQ-MRVPVSSYSA-N 0 0 164.208 1.282 10 0 ADAERN CC[C@@]1(C2CCC2)NC(=O)N=C1N 306172860 345064354 /nfs/dbraw/zinc/06/43/54/345064354.db2.gz KWFOYXZVFXTHRC-VIFPVBQESA-N 0 0 181.239 1.016 10 0 ADAERN CC[C@]1(C2CCC2)NC(=O)N=C1N 306172853 345064458 /nfs/dbraw/zinc/06/44/58/345064458.db2.gz KWFOYXZVFXTHRC-SECBINFHSA-N 0 0 181.239 1.016 10 0 ADAERN CN(C#N)C(=O)C[C@H]1C=CCC1 306172883 345064470 /nfs/dbraw/zinc/06/44/70/345064470.db2.gz TZDOWIUAWDEXRQ-QMMMGPOBSA-N 0 0 164.208 1.282 10 0 ADAERN CC1(C)COC[C@@H]1n1nccc1N 306174107 345064713 /nfs/dbraw/zinc/06/47/13/345064713.db2.gz LODRYHRVPASKPL-ZETCQYMHSA-N 0 0 181.239 1.063 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1CC[C@@H]1C 306174022 345064728 /nfs/dbraw/zinc/06/47/28/345064728.db2.gz UDJDVOIRZLVCOU-DTWKUNHWSA-N 0 0 167.252 1.867 10 0 ADAERN CCN(C)C(=O)[C@@H]1CC[C@H](F)C1 306174188 345064753 /nfs/dbraw/zinc/06/47/53/345064753.db2.gz URVLXDSQLCXHHU-SFYZADRCSA-N 0 0 173.231 1.603 10 0 ADAERN CCn1ncnc1[C@H]1CCCC1=O 306174044 345064812 /nfs/dbraw/zinc/06/48/12/345064812.db2.gz UDVIQKOOXAWOLV-ZETCQYMHSA-N 0 0 179.223 1.135 10 0 ADAERN CCn1ncnc1[C@@H]1CCCC1=O 306174042 345064820 /nfs/dbraw/zinc/06/48/20/345064820.db2.gz UDVIQKOOXAWOLV-SSDOTTSWSA-N 0 0 179.223 1.135 10 0 ADAERN CSc1cnn([C@H]2CCOC2)c1N 306174195 345064837 /nfs/dbraw/zinc/06/48/37/345064837.db2.gz UHLIAOPPSULWMT-LURJTMIESA-N 0 0 199.279 1.149 10 0 ADAERN CNC(=S)N[C@H](C)c1ccoc1 306174152 345064849 /nfs/dbraw/zinc/06/48/49/345064849.db2.gz LRXASJYAGTYCCZ-ZCFIWIBFSA-N 0 0 184.264 1.435 10 0 ADAERN CC1(C)COC[C@H]1n1nccc1N 306174105 345064879 /nfs/dbraw/zinc/06/48/79/345064879.db2.gz LODRYHRVPASKPL-SSDOTTSWSA-N 0 0 181.239 1.063 10 0 ADAERN C[C@H](NN(C)C)C1CCC1 306174028 345064895 /nfs/dbraw/zinc/06/48/95/345064895.db2.gz MDMPLSPRLHYVQL-ZETCQYMHSA-N 0 0 142.246 1.241 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CC[C@@H]1C 306174025 345064905 /nfs/dbraw/zinc/06/49/05/345064905.db2.gz UDJDVOIRZLVCOU-IUCAKERBSA-N 0 0 167.252 1.867 10 0 ADAERN CCN(C)C(=O)[C@H]1CC[C@@H](F)C1 306174185 345064978 /nfs/dbraw/zinc/06/49/78/345064978.db2.gz URVLXDSQLCXHHU-JGVFFNPUSA-N 0 0 173.231 1.603 10 0 ADAERN C[C@@H](NN(C)C)C1CCC1 306174026 345064991 /nfs/dbraw/zinc/06/49/91/345064991.db2.gz MDMPLSPRLHYVQL-SSDOTTSWSA-N 0 0 142.246 1.241 10 0 ADAERN CCN(C)C(=O)[C@@H]1CC[C@@H](F)C1 306174182 345065028 /nfs/dbraw/zinc/06/50/28/345065028.db2.gz URVLXDSQLCXHHU-HTQZYQBOSA-N 0 0 173.231 1.603 10 0 ADAERN CC(C)=CC(=O)N[C@H]1CC[C@H]1C 306174020 345065048 /nfs/dbraw/zinc/06/50/48/345065048.db2.gz UDJDVOIRZLVCOU-BDAKNGLRSA-N 0 0 167.252 1.867 10 0 ADAERN CSc1cnn([C@@H]2CCOC2)c1N 306174198 345065053 /nfs/dbraw/zinc/06/50/53/345065053.db2.gz UHLIAOPPSULWMT-ZCFIWIBFSA-N 0 0 199.279 1.149 10 0 ADAERN CCN(C)C(=O)[C@H]1CC[C@H](F)C1 306174191 345065086 /nfs/dbraw/zinc/06/50/86/345065086.db2.gz URVLXDSQLCXHHU-YUMQZZPRSA-N 0 0 173.231 1.603 10 0 ADAERN CC(C)=CC(=O)N[C@@H]1CC[C@H]1C 306174027 345065105 /nfs/dbraw/zinc/06/51/05/345065105.db2.gz UDJDVOIRZLVCOU-RKDXNWHRSA-N 0 0 167.252 1.867 10 0 ADAERN CNC(=S)N[C@@H](C)c1ccoc1 306174150 345065114 /nfs/dbraw/zinc/06/51/14/345065114.db2.gz LRXASJYAGTYCCZ-LURJTMIESA-N 0 0 184.264 1.435 10 0 ADAERN Cc1cnn(C)c1C(=O)C(F)F 306174995 345065391 /nfs/dbraw/zinc/06/53/91/345065391.db2.gz WDUQECZAWWSHPJ-UHFFFAOYSA-N 0 0 174.150 1.176 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CSC1(C)C 306174507 345065397 /nfs/dbraw/zinc/06/53/97/345065397.db2.gz BSJSTKSYWLYUDO-BWZBUEFSSA-N 0 0 199.319 1.653 10 0 ADAERN CN[C@H](c1cscn1)C(F)F 306174596 345065559 /nfs/dbraw/zinc/06/55/59/345065559.db2.gz KOQURMRBTQXGFT-RXMQYKEDSA-N 0 0 178.207 1.669 10 0 ADAERN CNC(=O)Oc1ccc(C)c(N)c1 306174658 345065574 /nfs/dbraw/zinc/06/55/74/345065574.db2.gz BXRPEIFKWBEFQH-UHFFFAOYSA-N 0 0 180.207 1.295 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N[C@H]1CSC1(C)C 306174510 345065638 /nfs/dbraw/zinc/06/56/38/345065638.db2.gz BSJSTKSYWLYUDO-PRJMDXOYSA-N 0 0 199.319 1.653 10 0 ADAERN CN[C@@H](c1cscn1)C(F)F 306174599 345065648 /nfs/dbraw/zinc/06/56/48/345065648.db2.gz KOQURMRBTQXGFT-YFKPBYRVSA-N 0 0 178.207 1.669 10 0 ADAERN O=C(O[C@H]1CCCC1=O)C1CC1 306175157 345065797 /nfs/dbraw/zinc/06/57/97/345065797.db2.gz UXIRWHKHGRFRRD-QMMMGPOBSA-N 0 0 168.192 1.061 10 0 ADAERN Cc1cc(CNc2cnns2)on1 306175461 345065821 /nfs/dbraw/zinc/06/58/21/345065821.db2.gz MIZKGVSJENCFAB-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN O=C(O[C@@H]1CCCC1=O)C1CC1 306175155 345065858 /nfs/dbraw/zinc/06/58/58/345065858.db2.gz UXIRWHKHGRFRRD-MRVPVSSYSA-N 0 0 168.192 1.061 10 0 ADAERN O=C1CSC(c2ncccc2F)=N1 306175367 345065860 /nfs/dbraw/zinc/06/58/60/345065860.db2.gz VKFDLPSEBWYFDQ-UHFFFAOYSA-N 0 0 196.206 1.241 10 0 ADAERN O=C(NCC1CC1)Nc1ccco1 306175638 345065884 /nfs/dbraw/zinc/06/58/84/345065884.db2.gz MWOIAZQHXAKWFJ-UHFFFAOYSA-N 0 0 180.207 1.811 10 0 ADAERN Cc1nc(N[C@@H]2C[C@H]2CO)sc1C 306175097 345066163 /nfs/dbraw/zinc/06/61/63/345066163.db2.gz MSMXCKUOTNSWCL-JGVFFNPUSA-N 0 0 198.291 1.553 10 0 ADAERN Cc1nc(CN2CCCC2)oc1C 306176013 345066644 /nfs/dbraw/zinc/06/66/44/345066644.db2.gz VYHYHDKQYCUNTR-UHFFFAOYSA-N 0 0 180.251 1.887 10 0 ADAERN CC(C)C(=O)N[C@H]1CCC[C@H]2C[C@H]21 306175753 345066693 /nfs/dbraw/zinc/06/66/93/345066693.db2.gz WYHZEMJFWAAKTF-AEJSXWLSSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)C(=O)N[C@@H]1CCC[C@H]2C[C@H]21 306175755 345066730 /nfs/dbraw/zinc/06/67/30/345066730.db2.gz WYHZEMJFWAAKTF-IVZWLZJFSA-N 0 0 181.279 1.947 10 0 ADAERN Cn1cc(NCC2(F)CC2)cn1 306176676 345066862 /nfs/dbraw/zinc/06/68/62/345066862.db2.gz WURNOWTYMFUDQS-UHFFFAOYSA-N 0 0 169.203 1.334 10 0 ADAERN CC[C@]1([C@H]2C[C@@H]2C)OC(=O)N=C1N 306176459 345066980 /nfs/dbraw/zinc/06/69/80/345066980.db2.gz YKLRXIJUYNQKJN-ATVXKPNKSA-N 0 0 182.223 1.299 10 0 ADAERN CC[C@]1([C@@H]2C[C@@H]2C)OC(=O)N=C1N 306176461 345067095 /nfs/dbraw/zinc/06/70/95/345067095.db2.gz YKLRXIJUYNQKJN-CCGCGBOQSA-N 0 0 182.223 1.299 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1cscn1 306176407 345067204 /nfs/dbraw/zinc/06/72/04/345067204.db2.gz NTUKTCHHIITIOS-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC[C@]1([C@H]2C[C@H]2C)OC(=O)N=C1N 306176465 345067207 /nfs/dbraw/zinc/06/72/07/345067207.db2.gz YKLRXIJUYNQKJN-QIOHGKGESA-N 0 0 182.223 1.299 10 0 ADAERN O=C(Nc1c[nH]nc1Cl)C1CCC1 306176758 345067527 /nfs/dbraw/zinc/06/75/27/345067527.db2.gz NTOUVUYMIDZJSJ-UHFFFAOYSA-N 0 0 199.641 1.802 10 0 ADAERN C[C@H]1C[C@@H]1c1cc[nH]n1 306177441 345068258 /nfs/dbraw/zinc/06/82/58/345068258.db2.gz PRKHPPNMNDOXIR-WDSKDSINSA-N 0 0 122.171 1.533 10 0 ADAERN O[C@@H](c1ccc[nH]1)c1cncs1 306177889 345068309 /nfs/dbraw/zinc/06/83/09/345068309.db2.gz XTDRCGABWGXBSP-QMMMGPOBSA-N 0 0 180.232 1.553 10 0 ADAERN Cc1cnn(C)c1C(=O)C(C)(F)F 306177473 345068312 /nfs/dbraw/zinc/06/83/12/345068312.db2.gz PYWNROXJQKIFTJ-UHFFFAOYSA-N 0 0 188.177 1.566 10 0 ADAERN O=Cc1cnc(CN2CCC2)s1 306177745 345068315 /nfs/dbraw/zinc/06/83/15/345068315.db2.gz GOAMUYKVCULJRV-UHFFFAOYSA-N 0 0 182.248 1.161 10 0 ADAERN Cc1cc([C@]2(O)CCOC2)sn1 306177876 345068328 /nfs/dbraw/zinc/06/83/28/345068328.db2.gz GRQLXBMANUKWLX-QMMMGPOBSA-N 0 0 185.248 1.059 10 0 ADAERN O[C@H](c1cccnc1)c1ccsn1 306178161 345068696 /nfs/dbraw/zinc/06/86/96/345068696.db2.gz HAWJZKMTZJCFPU-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1nn(C)cc1N 306177929 345068791 /nfs/dbraw/zinc/06/87/91/345068791.db2.gz YAPPJVIBRKHJMY-SVRRBLITSA-N 0 0 180.255 1.213 10 0 ADAERN CC(F)(F)[C@@H](NN)c1ccccc1 306178131 345068878 /nfs/dbraw/zinc/06/88/78/345068878.db2.gz GYGXEZRWAMEYLO-QMMMGPOBSA-N 0 0 186.205 1.846 10 0 ADAERN CC(F)(F)[C@H](NN)c1ccccc1 306178130 345068904 /nfs/dbraw/zinc/06/89/04/345068904.db2.gz GYGXEZRWAMEYLO-MRVPVSSYSA-N 0 0 186.205 1.846 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1nn(C)cc1N 306177930 345069023 /nfs/dbraw/zinc/06/90/23/345069023.db2.gz YAPPJVIBRKHJMY-XPUUQOCRSA-N 0 0 180.255 1.213 10 0 ADAERN O[C@@H](c1cccnc1)c1ccsn1 306178163 345069024 /nfs/dbraw/zinc/06/90/24/345069024.db2.gz HAWJZKMTZJCFPU-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN CCN1C(=O)CN[C@H]1c1ccc(C)o1 306178180 345069026 /nfs/dbraw/zinc/06/90/26/345069026.db2.gz PGUORRQNXLVPDM-SNVBAGLBSA-N 0 0 194.234 1.038 10 0 ADAERN CCN1C(=O)CN[C@@H]1c1ccc(C)o1 306178178 345069039 /nfs/dbraw/zinc/06/90/39/345069039.db2.gz PGUORRQNXLVPDM-JTQLQIEISA-N 0 0 194.234 1.038 10 0 ADAERN O=C1CSC(c2cnccn2)=N1 306178334 345069390 /nfs/dbraw/zinc/06/93/90/345069390.db2.gz RVMHDUWVOKWNPJ-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cn1cc(-c2cc(=S)cc[nH]2)nn1 306178351 345069604 /nfs/dbraw/zinc/06/96/04/345069604.db2.gz RYLCOSOQYXNIKP-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN CCc1cc(-c2nnc(C)o2)n[nH]1 306178227 345069645 /nfs/dbraw/zinc/06/96/45/345069645.db2.gz HFINCXIPZQTQFC-UHFFFAOYSA-N 0 0 178.195 1.331 10 0 ADAERN CN(C#N)C(=O)C(C)(C)C1CC1 306178486 345069649 /nfs/dbraw/zinc/06/96/49/345069649.db2.gz ZFIKRBDVGTZKOW-UHFFFAOYSA-N 0 0 166.224 1.362 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C(C)(F)F 306178536 345069688 /nfs/dbraw/zinc/06/96/88/345069688.db2.gz PXYJQBJCLIYDLF-RFZPGFLSSA-N 0 0 163.167 1.166 10 0 ADAERN O=C(NCC(F)(F)F)C1(F)CCC1 306178509 345069751 /nfs/dbraw/zinc/06/97/51/345069751.db2.gz PWHUUBRDQNLMSE-UHFFFAOYSA-N 0 0 199.147 1.557 10 0 ADAERN O[C@@]1(c2ccsn2)CCSC1 306178758 345070040 /nfs/dbraw/zinc/07/00/40/345070040.db2.gz HQKQCUBGDXMBIU-ZETCQYMHSA-N 0 0 187.289 1.468 10 0 ADAERN Cc1cc(N2CCC2)c(C(=O)[O-])c[nH+]1 306179002 345070057 /nfs/dbraw/zinc/07/00/57/345070057.db2.gz ICOQEGFKMCPDDA-UHFFFAOYSA-N 0 0 192.218 1.298 10 0 ADAERN O[C@]1(c2ccsn2)CCSC1 306178756 345070136 /nfs/dbraw/zinc/07/01/36/345070136.db2.gz HQKQCUBGDXMBIU-SSDOTTSWSA-N 0 0 187.289 1.468 10 0 ADAERN N[C@H](c1ccsn1)c1ccco1 306178908 345070178 /nfs/dbraw/zinc/07/01/78/345070178.db2.gz HUBUYTHEPCMEPU-MRVPVSSYSA-N 0 0 180.232 1.784 10 0 ADAERN CCC[N@@H+]1CC[C@@](O)(C(F)F)C1 306178992 345070214 /nfs/dbraw/zinc/07/02/14/345070214.db2.gz IBAXJSLNJCTNOS-QMMMGPOBSA-N 0 0 179.210 1.098 10 0 ADAERN CCC[N@@H+]1CC[C@](O)(C(F)F)C1 306178991 345070242 /nfs/dbraw/zinc/07/02/42/345070242.db2.gz IBAXJSLNJCTNOS-MRVPVSSYSA-N 0 0 179.210 1.098 10 0 ADAERN CCc1nnc2n1NC(C)=C(C)S2 306178959 345070250 /nfs/dbraw/zinc/07/02/50/345070250.db2.gz HXSYMSDTKLFHFU-ZCFIWIBFSA-N 0 0 196.279 1.559 10 0 ADAERN CCc1nnc2n1NC(C)=C(C)S2 306178958 345070349 /nfs/dbraw/zinc/07/03/49/345070349.db2.gz HXSYMSDTKLFHFU-LURJTMIESA-N 0 0 196.279 1.559 10 0 ADAERN CC[C@H](O)c1ccc(N2CCC2)cn1 306178961 345070377 /nfs/dbraw/zinc/07/03/77/345070377.db2.gz HYFMTFDQJOAHQE-NSHDSACASA-N 0 0 192.262 1.735 10 0 ADAERN CSCC(=O)NC1CC=CC1 306180968 345072383 /nfs/dbraw/zinc/07/23/83/345072383.db2.gz BQBLQXKFQZSGGG-UHFFFAOYSA-N 0 0 171.265 1.184 10 0 ADAERN OC[C@H]1CCC[C@@H](c2ccncn2)O1 306179503 345070603 /nfs/dbraw/zinc/07/06/03/345070603.db2.gz IJGAJSQVJCUTQQ-SCZZXKLOSA-N 0 0 194.234 1.079 10 0 ADAERN CC[C@@H](C)Nc1cc(C)nn1C 306179229 345070663 /nfs/dbraw/zinc/07/06/63/345070663.db2.gz ZSIFOQHSVLYTSG-SSDOTTSWSA-N 0 0 167.256 1.939 10 0 ADAERN OC[C@@H]1CCC[C@H](c2ccncn2)O1 306179505 345070680 /nfs/dbraw/zinc/07/06/80/345070680.db2.gz IJGAJSQVJCUTQQ-WCBMZHEXSA-N 0 0 194.234 1.079 10 0 ADAERN C[C@@H]1C[C@@H](C)CN(c2ncc[nH]2)C1 306179325 345070683 /nfs/dbraw/zinc/07/06/83/345070683.db2.gz FBOMTTSQDVKKIU-RKDXNWHRSA-N 0 0 179.267 1.892 10 0 ADAERN C[C@H]1C[C@H](C)CN(c2ncc[nH]2)C1 306179320 345070729 /nfs/dbraw/zinc/07/07/29/345070729.db2.gz FBOMTTSQDVKKIU-IUCAKERBSA-N 0 0 179.267 1.892 10 0 ADAERN O=C(NCc1cccs1)[C@H]1CCO1 306179111 345070798 /nfs/dbraw/zinc/07/07/98/345070798.db2.gz QRUAUSVVSPCYKC-MRVPVSSYSA-N 0 0 197.259 1.153 10 0 ADAERN O=C(NCc1cccs1)[C@@H]1CCO1 306179113 345070799 /nfs/dbraw/zinc/07/07/99/345070799.db2.gz QRUAUSVVSPCYKC-QMMMGPOBSA-N 0 0 197.259 1.153 10 0 ADAERN C[C@H]1C[C@@H](C)CN(c2ncc[nH]2)C1 306179315 345070814 /nfs/dbraw/zinc/07/08/14/345070814.db2.gz FBOMTTSQDVKKIU-DTORHVGOSA-N 0 0 179.267 1.892 10 0 ADAERN OC[C@H]1CCC[C@H](c2ccncn2)O1 306179501 345070830 /nfs/dbraw/zinc/07/08/30/345070830.db2.gz IJGAJSQVJCUTQQ-PSASIEDQSA-N 0 0 194.234 1.079 10 0 ADAERN CC[C@H](C)Nc1cc(C)nn1C 306179230 345070870 /nfs/dbraw/zinc/07/08/70/345070870.db2.gz ZSIFOQHSVLYTSG-ZETCQYMHSA-N 0 0 167.256 1.939 10 0 ADAERN CC1(c2nc(Cl)no2)CC1 306179308 345070884 /nfs/dbraw/zinc/07/08/84/345070884.db2.gz GYFRLCRNUVXHLB-UHFFFAOYSA-N 0 0 158.588 1.775 10 0 ADAERN OC[C@@H]1CCC[C@@H](c2ccncn2)O1 306179506 345070913 /nfs/dbraw/zinc/07/09/13/345070913.db2.gz IJGAJSQVJCUTQQ-WPRPVWTQSA-N 0 0 194.234 1.079 10 0 ADAERN OCc1cnc(OC2CCCC2)nc1 306179571 345070928 /nfs/dbraw/zinc/07/09/28/345070928.db2.gz IMZOGKCTDDUGIG-UHFFFAOYSA-N 0 0 194.234 1.290 10 0 ADAERN CNc1cc(F)c(F)cc1N 306179647 345071376 /nfs/dbraw/zinc/07/13/76/345071376.db2.gz VWYFSONVJAGQOE-UHFFFAOYSA-N 0 0 158.151 1.589 10 0 ADAERN Cc1c[nH]nc1NC(=O)C(C)(F)F 306179845 345071382 /nfs/dbraw/zinc/07/13/82/345071382.db2.gz IQJXRNOGGALGEV-UHFFFAOYSA-N 0 0 189.165 1.312 10 0 ADAERN C[C@H](O)[C@@H](C)c1cscn1 306179780 345071452 /nfs/dbraw/zinc/07/14/52/345071452.db2.gz REZNIXLOMXXQGJ-RITPCOANSA-N 0 0 157.238 1.627 10 0 ADAERN CN(C)C(=O)Nc1cccc(Cl)n1 306179899 345071479 /nfs/dbraw/zinc/07/14/79/345071479.db2.gz IWJDCHWIVYQXSQ-UHFFFAOYSA-N 0 0 199.641 1.829 10 0 ADAERN C[C@H](O)[C@H](C)c1cscn1 306179781 345071494 /nfs/dbraw/zinc/07/14/94/345071494.db2.gz REZNIXLOMXXQGJ-WDSKDSINSA-N 0 0 157.238 1.627 10 0 ADAERN C/C=C/C[n+]1cccc([O-])c1 306180060 345071508 /nfs/dbraw/zinc/07/15/08/345071508.db2.gz JBMOKCLAKNNEAU-NSCUHMNNSA-O 0 0 150.201 1.256 10 0 ADAERN C[C@@H](O)[C@H](C)c1cscn1 306179778 345071562 /nfs/dbraw/zinc/07/15/62/345071562.db2.gz REZNIXLOMXXQGJ-NTSWFWBYSA-N 0 0 157.238 1.627 10 0 ADAERN C[C@@H](c1cscn1)[C@@H](C)O 306179779 345071571 /nfs/dbraw/zinc/07/15/71/345071571.db2.gz REZNIXLOMXXQGJ-PHDIDXHHSA-N 0 0 157.238 1.627 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1=CCC1 306180287 345071596 /nfs/dbraw/zinc/07/15/96/345071596.db2.gz RLHUESJWSXHCOD-HTRCEHHLSA-N 0 0 151.209 1.231 10 0 ADAERN O=C(O[C@H]1C=CCC1)c1cnns1 306180557 345071856 /nfs/dbraw/zinc/07/18/56/345071856.db2.gz SAPOGYSXHNEBLA-LURJTMIESA-N 0 0 196.231 1.414 10 0 ADAERN O=C(N[C@@H]1[C@H]2CCCC[C@H]21)C(F)F 306180542 345071871 /nfs/dbraw/zinc/07/18/71/345071871.db2.gz RYWHOJQZTDWGEZ-ZMONIFLSSA-N 0 0 189.205 1.556 10 0 ADAERN O=C(O[C@@H]1C=CCC1)c1cnns1 306180558 345071876 /nfs/dbraw/zinc/07/18/76/345071876.db2.gz SAPOGYSXHNEBLA-ZCFIWIBFSA-N 0 0 196.231 1.414 10 0 ADAERN O=Cc1ccccc1N1CC=CC1 306180545 345072013 /nfs/dbraw/zinc/07/20/13/345072013.db2.gz RZOIHNCSKLPOEQ-UHFFFAOYSA-N 0 0 173.215 1.875 10 0 ADAERN C[C@@]1([C@H]2COC(=O)N2)CCCS1 306181072 345072397 /nfs/dbraw/zinc/07/23/97/345072397.db2.gz NISNPTMEMXAEOQ-SVRRBLITSA-N 0 0 187.264 1.381 10 0 ADAERN C[C@@]1([C@@H]2COC(=O)N2)CCCS1 306181074 345072484 /nfs/dbraw/zinc/07/24/84/345072484.db2.gz NISNPTMEMXAEOQ-XPUUQOCRSA-N 0 0 187.264 1.381 10 0 ADAERN C[C@]1([C@@H]2COC(=O)N2)CCCS1 306181070 345072533 /nfs/dbraw/zinc/07/25/33/345072533.db2.gz NISNPTMEMXAEOQ-POYBYMJQSA-N 0 0 187.264 1.381 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1noc(C2CC2)n1 306181644 345072777 /nfs/dbraw/zinc/07/27/77/345072777.db2.gz VBXYOKAUOIUWHO-PHDIDXHHSA-N 0 0 197.238 1.128 10 0 ADAERN O=C1OCC[C@H]1NCC1CCCC1 306181679 345072818 /nfs/dbraw/zinc/07/28/18/345072818.db2.gz VGFXVNZNUWHWNS-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1noc(C2CC2)n1 306181646 345072858 /nfs/dbraw/zinc/07/28/58/345072858.db2.gz VBXYOKAUOIUWHO-RITPCOANSA-N 0 0 197.238 1.128 10 0 ADAERN CCNc1n[nH]c(-c2ccccn2)n1 306181891 345072859 /nfs/dbraw/zinc/07/28/59/345072859.db2.gz VYUMMNVTKJSLPW-UHFFFAOYSA-N 0 0 189.222 1.299 10 0 ADAERN C[C@H](Nc1noc(C2CC2)n1)[C@@H](C)O 306181642 345072908 /nfs/dbraw/zinc/07/29/08/345072908.db2.gz VBXYOKAUOIUWHO-NTSWFWBYSA-N 0 0 197.238 1.128 10 0 ADAERN C[C@H](O)[C@H](C)Nc1noc(C2CC2)n1 306181647 345072936 /nfs/dbraw/zinc/07/29/36/345072936.db2.gz VBXYOKAUOIUWHO-WDSKDSINSA-N 0 0 197.238 1.128 10 0 ADAERN O=C(OC1CCC1)[C@H]1CCCOC1 306181748 345072945 /nfs/dbraw/zinc/07/29/45/345072945.db2.gz VIAFOXHLGKMMMA-QMMMGPOBSA-N 0 0 184.235 1.509 10 0 ADAERN O=C(OC1CCC1)[C@@H]1CCCOC1 306181747 345073000 /nfs/dbraw/zinc/07/30/00/345073000.db2.gz VIAFOXHLGKMMMA-MRVPVSSYSA-N 0 0 184.235 1.509 10 0 ADAERN O=C1OCC[C@@H]1NCC1CCCC1 306181680 345073038 /nfs/dbraw/zinc/07/30/38/345073038.db2.gz VGFXVNZNUWHWNS-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN OC[C@@H]1C[C@@H]1Nc1ccnc(Cl)c1 306182206 345073352 /nfs/dbraw/zinc/07/33/52/345073352.db2.gz WTMMWJJGUPDVAE-XPUUQOCRSA-N 0 0 198.653 1.528 10 0 ADAERN Cc1noc(N[C@@H](C)CC(F)F)n1 306182251 345073417 /nfs/dbraw/zinc/07/34/17/345073417.db2.gz XAVCTYUVABSHPN-BYPYZUCNSA-N 0 0 191.181 1.834 10 0 ADAERN OC[C@H]1C[C@@H]1Nc1ccnc(Cl)c1 306182205 345073424 /nfs/dbraw/zinc/07/34/24/345073424.db2.gz WTMMWJJGUPDVAE-SVRRBLITSA-N 0 0 198.653 1.528 10 0 ADAERN O=C1CSC(=O)N1CC1CCCC1 306182227 345073546 /nfs/dbraw/zinc/07/35/46/345073546.db2.gz WWTCVPLDRZSOGY-UHFFFAOYSA-N 0 0 199.275 1.872 10 0 ADAERN O=c1cnc(-c2ccsn2)c[nH]1 306182583 345073548 /nfs/dbraw/zinc/07/35/48/345073548.db2.gz WVMLBJNAJSZZNF-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN CNC(=O)/C=C1/CC[C@H](C)C1 306187673 345077854 /nfs/dbraw/zinc/07/78/54/345077854.db2.gz ALAJGOCZBKHBNZ-VQKCLUMFSA-N 0 0 153.225 1.479 10 0 ADAERN O=C1OC[C@@H](Sc2ccccn2)O1 306182647 345073976 /nfs/dbraw/zinc/07/39/76/345073976.db2.gz XVMRPGORJMIEJJ-SSDOTTSWSA-N 0 0 197.215 1.667 10 0 ADAERN COc1ncc(N[C@H](C)C(C)C)cn1 306182922 345073977 /nfs/dbraw/zinc/07/39/77/345073977.db2.gz AVVAZBBQLRHSNW-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN CNC(=O)[C@@H]1CCCCC1(F)F 306183193 345073993 /nfs/dbraw/zinc/07/39/93/345073993.db2.gz AIMCFTLXOZMMEV-LURJTMIESA-N 0 0 177.194 1.558 10 0 ADAERN CCCCc1cnc(=O)[nH]c1 306183069 345074003 /nfs/dbraw/zinc/07/40/03/345074003.db2.gz ZHXZYVDDTXKTSZ-UHFFFAOYSA-N 0 0 152.197 1.525 10 0 ADAERN CCc1cnc(N)nc1C1CCC1 306182880 345074033 /nfs/dbraw/zinc/07/40/33/345074033.db2.gz ALKZHIASUCAJRO-UHFFFAOYSA-N 0 0 177.251 1.889 10 0 ADAERN O=C1CSC(c2ccc(O)cc2)=N1 306183084 345074081 /nfs/dbraw/zinc/07/40/81/345074081.db2.gz ZPJKRGILMLHOHW-UHFFFAOYSA-N 0 0 193.227 1.412 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N1CC(C)(F)C1 306183018 345074095 /nfs/dbraw/zinc/07/40/95/345074095.db2.gz YLBPEYBGRKXHSH-RNFRBKRXSA-N 0 0 186.230 1.148 10 0 ADAERN NC(=O)C[C@@H]1OCCc2ccsc21 306182673 345074125 /nfs/dbraw/zinc/07/41/25/345074125.db2.gz XZENTFLYDUWWDB-ZETCQYMHSA-N 0 0 197.259 1.237 10 0 ADAERN COc1ncc(N[C@@H](C)C(C)C)cn1 306182923 345074139 /nfs/dbraw/zinc/07/41/39/345074139.db2.gz AVVAZBBQLRHSNW-QMMMGPOBSA-N 0 0 195.266 1.942 10 0 ADAERN O=C1OC[C@H](Sc2ccccn2)O1 306182648 345074160 /nfs/dbraw/zinc/07/41/60/345074160.db2.gz XVMRPGORJMIEJJ-ZETCQYMHSA-N 0 0 197.215 1.667 10 0 ADAERN NC(=O)C[C@H]1OCCc2ccsc21 306182672 345074171 /nfs/dbraw/zinc/07/41/71/345074171.db2.gz XZENTFLYDUWWDB-SSDOTTSWSA-N 0 0 197.259 1.237 10 0 ADAERN Clc1nc(CN2CCC2)ns1 306183071 345074207 /nfs/dbraw/zinc/07/42/07/345074207.db2.gz ZIWCCXLBWUQDPD-UHFFFAOYSA-N 0 0 189.671 1.397 10 0 ADAERN CC1(c2nsc(N)n2)CCCC1 306182877 345074209 /nfs/dbraw/zinc/07/42/09/345074209.db2.gz AKZHNQGZWSIIPE-UHFFFAOYSA-N 0 0 183.280 1.952 10 0 ADAERN Cc1ccc([C@@H](CO)NO)c(C)c1 306183278 345074615 /nfs/dbraw/zinc/07/46/15/345074615.db2.gz ATRIYGILYDCCRG-SNVBAGLBSA-N 0 0 181.235 1.316 10 0 ADAERN O[C@@H]1CON(CC2CCCCC2)C1 306183347 345074634 /nfs/dbraw/zinc/07/46/34/345074634.db2.gz ATILRHPCGOWJFA-JTQLQIEISA-N 0 0 185.267 1.175 10 0 ADAERN CC(C)(C)CCN1C[C@@H](O)CO1 306183719 345074679 /nfs/dbraw/zinc/07/46/79/345074679.db2.gz BRUUZAIJFFJKNC-MRVPVSSYSA-N 0 0 173.256 1.031 10 0 ADAERN O[C@H]1CON(CC2CCCCC2)C1 306183348 345074747 /nfs/dbraw/zinc/07/47/47/345074747.db2.gz ATILRHPCGOWJFA-SNVBAGLBSA-N 0 0 185.267 1.175 10 0 ADAERN C[C@H]([C@@H]1CCCO1)n1nccc1N 306183975 345075221 /nfs/dbraw/zinc/07/52/21/345075221.db2.gz BXOKJIGJQURCLF-SFYZADRCSA-N 0 0 181.239 1.205 10 0 ADAERN CONC(=O)c1cc2sccc2[nH]1 306184082 345075234 /nfs/dbraw/zinc/07/52/34/345075234.db2.gz AWNAWNSYFGJUTE-UHFFFAOYSA-N 0 0 196.231 1.521 10 0 ADAERN C[C@H]([C@H]1CCCO1)n1nccc1N 306183969 345075241 /nfs/dbraw/zinc/07/52/41/345075241.db2.gz BXOKJIGJQURCLF-HTQZYQBOSA-N 0 0 181.239 1.205 10 0 ADAERN CC1(C)COC[C@]1(O)CC1CC1 306184003 345075243 /nfs/dbraw/zinc/07/52/43/345075243.db2.gz ASYATLKBPUYWFC-SNVBAGLBSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@@H]([C@@H]1CCCO1)n1nccc1N 306183977 345075263 /nfs/dbraw/zinc/07/52/63/345075263.db2.gz BXOKJIGJQURCLF-YUMQZZPRSA-N 0 0 181.239 1.205 10 0 ADAERN O=CNCc1ccsc1Cl 306184087 345075327 /nfs/dbraw/zinc/07/53/27/345075327.db2.gz AXRQHNLJJZAQAU-UHFFFAOYSA-N 0 0 175.640 1.648 10 0 ADAERN CC1(C)COC[C@@]1(O)CC1CC1 306183998 345075355 /nfs/dbraw/zinc/07/53/55/345075355.db2.gz ASYATLKBPUYWFC-JTQLQIEISA-N 0 0 170.252 1.574 10 0 ADAERN [NH3+]C1(c2nncs2)CCCC1 306183830 345075339 /nfs/dbraw/zinc/07/53/39/345075339.db2.gz CIAQFFCRPIKDLE-UHFFFAOYSA-N 0 0 169.253 1.266 10 0 ADAERN C[C@@H]([C@H]1CCCO1)n1nccc1N 306183971 345075349 /nfs/dbraw/zinc/07/53/49/345075349.db2.gz BXOKJIGJQURCLF-JGVFFNPUSA-N 0 0 181.239 1.205 10 0 ADAERN Cc1cc(NC2CSC2)n(C)n1 306185390 345075594 /nfs/dbraw/zinc/07/55/94/345075594.db2.gz ABACTUKKVBHSIG-UHFFFAOYSA-N 0 0 183.280 1.256 10 0 ADAERN CN(c1cncc(=O)[nH]1)C1CCC1 306185315 345075617 /nfs/dbraw/zinc/07/56/17/345075617.db2.gz QXYIEIFPWZPWMA-UHFFFAOYSA-N 0 0 179.223 1.171 10 0 ADAERN C[C@H]1C[C@H]1Nc1nnc(C(F)F)o1 306184818 345075669 /nfs/dbraw/zinc/07/56/69/345075669.db2.gz QCICOVPBTAZYAU-IUYQGCFVSA-N 0 0 189.165 1.828 10 0 ADAERN Nc1ncccc1-c1ncccn1 306184605 345075708 /nfs/dbraw/zinc/07/57/08/345075708.db2.gz LRWWGHPNCBGSDZ-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN O=c1cc(C2=CCCC2)cn[nH]1 306184781 345075721 /nfs/dbraw/zinc/07/57/21/345075721.db2.gz FJYRQLQIKQUINI-UHFFFAOYSA-N 0 0 162.192 1.337 10 0 ADAERN FCCCn1cnc(Cl)n1 306185312 345075723 /nfs/dbraw/zinc/07/57/23/345075723.db2.gz HCXRVSDORBSMAE-UHFFFAOYSA-N 0 0 163.583 1.291 10 0 ADAERN C[C@H]1C[C@@H]1Nc1nnc(C(F)F)o1 306184816 345075746 /nfs/dbraw/zinc/07/57/46/345075746.db2.gz QCICOVPBTAZYAU-IMJSIDKUSA-N 0 0 189.165 1.828 10 0 ADAERN O=C1COc2c(Cl)cncc2N1 306184501 345075802 /nfs/dbraw/zinc/07/58/02/345075802.db2.gz PXHUJSNRKYNGFM-UHFFFAOYSA-N 0 0 184.582 1.066 10 0 ADAERN CSc1noc([C@H]2CCOC2)n1 306186002 345076048 /nfs/dbraw/zinc/07/60/48/345076048.db2.gz BBNITLSJRNZUFS-YFKPBYRVSA-N 0 0 186.236 1.295 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1(F)CCC1 306185630 345076179 /nfs/dbraw/zinc/07/61/79/345076179.db2.gz RRTOOFHWFQWBLA-RNFRBKRXSA-N 0 0 171.215 1.403 10 0 ADAERN CN(C)c1noc(-c2ccc[nH]2)n1 306186008 345076193 /nfs/dbraw/zinc/07/61/93/345076193.db2.gz BDJDBYIBTCVOIN-UHFFFAOYSA-N 0 0 178.195 1.131 10 0 ADAERN COc1ncccc1[C@]1(O)CC[C@H]1C 306185815 345076200 /nfs/dbraw/zinc/07/62/00/345076200.db2.gz ADMQGEKNHILBTQ-KCJUWKMLSA-N 0 0 193.246 1.708 10 0 ADAERN COc1nccnc1NCC1CCC1 306185922 345076206 /nfs/dbraw/zinc/07/62/06/345076206.db2.gz AUOWFNDFVRUIHK-UHFFFAOYSA-N 0 0 193.250 1.697 10 0 ADAERN CCCc1nnc([C@H]2CCCO2)o1 306185913 345076224 /nfs/dbraw/zinc/07/62/24/345076224.db2.gz NENDMVBBZDUKRC-SSDOTTSWSA-N 0 0 182.223 1.874 10 0 ADAERN Cc1cc(N[C@@H](C)C2CC2)n(C)n1 306185946 345076225 /nfs/dbraw/zinc/07/62/25/345076225.db2.gz NFGVALBAQFRBEA-QMMMGPOBSA-N 0 0 179.267 1.939 10 0 ADAERN CSc1noc([C@@H]2CCOC2)n1 306186001 345076263 /nfs/dbraw/zinc/07/62/63/345076263.db2.gz BBNITLSJRNZUFS-RXMQYKEDSA-N 0 0 186.236 1.295 10 0 ADAERN COc1ncccc1[C@@]1(O)CC[C@@H]1C 306185814 345076270 /nfs/dbraw/zinc/07/62/70/345076270.db2.gz ADMQGEKNHILBTQ-GZMMTYOYSA-N 0 0 193.246 1.708 10 0 ADAERN Cc1n[nH]cc1NC(=O)C(C)(C)F 306185520 345076274 /nfs/dbraw/zinc/07/62/74/345076274.db2.gz RLSBWRAHROQLFQ-UHFFFAOYSA-N 0 0 185.202 1.405 10 0 ADAERN Cc1cc(N[C@H](C)C2CC2)n(C)n1 306185936 345076282 /nfs/dbraw/zinc/07/62/82/345076282.db2.gz NFGVALBAQFRBEA-MRVPVSSYSA-N 0 0 179.267 1.939 10 0 ADAERN COc1ncccc1[C@@]1(O)CC[C@H]1C 306185817 345076285 /nfs/dbraw/zinc/07/62/85/345076285.db2.gz ADMQGEKNHILBTQ-LDYMZIIASA-N 0 0 193.246 1.708 10 0 ADAERN CC1(C(=O)N[C@H]2CCCC[C@H]2O)CC1 306186608 345076560 /nfs/dbraw/zinc/07/65/60/345076560.db2.gz KDAWVEZBDITUQF-DTWKUNHWSA-N 0 0 197.278 1.206 10 0 ADAERN COc1cncc([C@@](C)(F)[C@H](C)[NH3+])c1 306186664 345076671 /nfs/dbraw/zinc/07/66/71/345076671.db2.gz BIIJWIXBJHUYEJ-XVKPBYJWSA-N 0 0 198.241 1.622 10 0 ADAERN COc1cncc([C@](C)(F)[C@@H](C)[NH3+])c1 306186648 345076684 /nfs/dbraw/zinc/07/66/84/345076684.db2.gz BIIJWIXBJHUYEJ-GMSGAONNSA-N 0 0 198.241 1.622 10 0 ADAERN CC1(C(=O)N[C@@H]2CCCC[C@@H]2O)CC1 306186600 345076693 /nfs/dbraw/zinc/07/66/93/345076693.db2.gz KDAWVEZBDITUQF-BDAKNGLRSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@H](c1nnc(N)o1)C(C)(F)F 306186690 345076700 /nfs/dbraw/zinc/07/67/00/345076700.db2.gz BUZJMQCMZZMLAN-GSVOUGTGSA-N 0 0 177.154 1.411 10 0 ADAERN CN(C)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306186692 345076704 /nfs/dbraw/zinc/07/67/04/345076704.db2.gz ACIFLMRXOIWWGP-JIGDXULJSA-N 0 0 168.240 1.056 10 0 ADAERN COc1cncc([C@](C)(F)[C@H](C)[NH3+])c1 306186655 345076737 /nfs/dbraw/zinc/07/67/37/345076737.db2.gz BIIJWIXBJHUYEJ-OIBJUYFYSA-N 0 0 198.241 1.622 10 0 ADAERN C[C@@H](c1nnc(N)o1)C(C)(F)F 306186695 345076759 /nfs/dbraw/zinc/07/67/59/345076759.db2.gz BUZJMQCMZZMLAN-VKHMYHEASA-N 0 0 177.154 1.411 10 0 ADAERN C[C@@H]1CN(Cc2ncc[nH]2)[C@@H]1C 306186784 345077266 /nfs/dbraw/zinc/07/72/66/345077266.db2.gz CBHJFERMBOIPLY-HTQZYQBOSA-N 0 0 165.240 1.250 10 0 ADAERN C[C@H]1CN(Cc2ncc[nH]2)[C@H]1C 306186799 345077292 /nfs/dbraw/zinc/07/72/92/345077292.db2.gz CBHJFERMBOIPLY-YUMQZZPRSA-N 0 0 165.240 1.250 10 0 ADAERN C[C@H]1CN(Cc2ncc[nH]2)[C@@H]1C 306186789 345077301 /nfs/dbraw/zinc/07/73/01/345077301.db2.gz CBHJFERMBOIPLY-JGVFFNPUSA-N 0 0 165.240 1.250 10 0 ADAERN CC1(C(=O)N[C@H]2CCCOC2)CC1 306186781 345077371 /nfs/dbraw/zinc/07/73/71/345077371.db2.gz KNCGTFJMGCKYKD-QMMMGPOBSA-N 0 0 183.251 1.082 10 0 ADAERN COC(=O)CSC1CCC1 306186885 345077373 /nfs/dbraw/zinc/07/73/73/345077373.db2.gz CIDFEYMEIUAFES-UHFFFAOYSA-N 0 0 160.238 1.445 10 0 ADAERN C[C@H]1[C@H](C)CN1Cc1ncc[nH]1 306186794 345077379 /nfs/dbraw/zinc/07/73/79/345077379.db2.gz CBHJFERMBOIPLY-SFYZADRCSA-N 0 0 165.240 1.250 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306187137 345077452 /nfs/dbraw/zinc/07/74/52/345077452.db2.gz ANKDZBIIRUWXLB-YRBMNUDTSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@H]1C[C@H]1CNC(=S)NC1(C)CC1 306187651 345077871 /nfs/dbraw/zinc/07/78/71/345077871.db2.gz AIBKMMVMSAMTDD-YUMQZZPRSA-N 0 0 198.335 1.659 10 0 ADAERN CSC1([C@@H]2NC(=O)C2(C)C)CCC1 306187712 345077901 /nfs/dbraw/zinc/07/79/01/345077901.db2.gz DOAHQEKGENVPGG-SSDOTTSWSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=S)NC1(C)CC1 306187649 345077934 /nfs/dbraw/zinc/07/79/34/345077934.db2.gz AIBKMMVMSAMTDD-JGVFFNPUSA-N 0 0 198.335 1.659 10 0 ADAERN COC1([C@H]2NC(=O)C2(C)C)CCCC1 306187706 345077991 /nfs/dbraw/zinc/07/79/91/345077991.db2.gz DMQMGTCBWDXLQN-QMMMGPOBSA-N 0 0 197.278 1.470 10 0 ADAERN O=CN1CCC(C(F)F)CC1 306187347 345078025 /nfs/dbraw/zinc/07/80/25/345078025.db2.gz CAIURSNTOBWQIX-UHFFFAOYSA-N 0 0 163.167 1.120 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=S)NC1(C)CC1 306187648 345078028 /nfs/dbraw/zinc/07/80/28/345078028.db2.gz AIBKMMVMSAMTDD-HTQZYQBOSA-N 0 0 198.335 1.659 10 0 ADAERN COC1([C@@H]2NC(=O)C2(C)C)CCCC1 306187705 345078065 /nfs/dbraw/zinc/07/80/65/345078065.db2.gz DMQMGTCBWDXLQN-MRVPVSSYSA-N 0 0 197.278 1.470 10 0 ADAERN CNC(=O)/C=C1/CC[C@@H](C)C1 306187672 345078106 /nfs/dbraw/zinc/07/81/06/345078106.db2.gz ALAJGOCZBKHBNZ-QHRPWQPMSA-N 0 0 153.225 1.479 10 0 ADAERN Cc1c[nH]c([C@H](C)O)c1C 306187986 345078216 /nfs/dbraw/zinc/07/82/16/345078216.db2.gz MGOHTRXLSDOLNZ-ZETCQYMHSA-N 0 0 139.198 1.685 10 0 ADAERN FCCNc1cc(Cl)ncn1 306188332 345078237 /nfs/dbraw/zinc/07/82/37/345078237.db2.gz ATESBDUQUIQMSG-UHFFFAOYSA-N 0 0 175.594 1.511 10 0 ADAERN CC[C@@H](NN)c1sccc1F 306187940 345078253 /nfs/dbraw/zinc/07/82/53/345078253.db2.gz MBZNMXLQFLQRBL-ZCFIWIBFSA-N 0 0 174.244 1.802 10 0 ADAERN CC(C)OC(=O)[C@@H]1CCCOCC1 306188128 345078305 /nfs/dbraw/zinc/07/83/05/345078305.db2.gz CFQXKFHPMJGBHM-SECBINFHSA-N 0 0 186.251 1.755 10 0 ADAERN Nc1cccc(OC(=O)NC2CC2)c1 306188147 345078326 /nfs/dbraw/zinc/07/83/26/345078326.db2.gz CGHXLZUGYJTWSW-UHFFFAOYSA-N 0 0 192.218 1.520 10 0 ADAERN Cc1cnc(C2=NC(=O)CS2)nc1 306187899 345078334 /nfs/dbraw/zinc/07/83/34/345078334.db2.gz BCMGJNMQNXAUKI-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC(C)OC(=O)[C@H]1CCCOCC1 306188130 345078388 /nfs/dbraw/zinc/07/83/88/345078388.db2.gz CFQXKFHPMJGBHM-VIFPVBQESA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@H](NN)c1sccc1F 306187938 345078519 /nfs/dbraw/zinc/07/85/19/345078519.db2.gz MBZNMXLQFLQRBL-LURJTMIESA-N 0 0 174.244 1.802 10 0 ADAERN Cc1nnc(NC(C)(C)C)n1C 306188333 345078568 /nfs/dbraw/zinc/07/85/68/345078568.db2.gz ATRVNWGSEFJTSN-UHFFFAOYSA-N 0 0 168.244 1.334 10 0 ADAERN Cc1cc(NC2CSC2)nn1C 306188358 345078644 /nfs/dbraw/zinc/07/86/44/345078644.db2.gz AXLXYFICDNTUIQ-UHFFFAOYSA-N 0 0 183.280 1.256 10 0 ADAERN Cc1cnc(N(C)CC2CC2)nc1 306188114 345078647 /nfs/dbraw/zinc/07/86/47/345078647.db2.gz UDPWDQZCSIRVGA-UHFFFAOYSA-N 0 0 177.251 1.631 10 0 ADAERN C[C@@H]1CSC[C@@H]1Nc1ccn(C)n1 306188687 345078784 /nfs/dbraw/zinc/07/87/84/345078784.db2.gz OXWZLZGRXFMBOQ-SFYZADRCSA-N 0 0 197.307 1.584 10 0 ADAERN CC[C@@H]1CCN1Cc1noc(C)n1 306188369 345078791 /nfs/dbraw/zinc/07/87/91/345078791.db2.gz AYRALWXNUGNNRB-MRVPVSSYSA-N 0 0 181.239 1.362 10 0 ADAERN C[C@H](Nc1ccn(C)n1)C(F)(F)F 306188656 345078800 /nfs/dbraw/zinc/07/88/00/345078800.db2.gz OUSCHYRUMLJIJX-YFKPBYRVSA-N 0 0 193.172 1.783 10 0 ADAERN C[C@H]1CSC[C@@H]1Nc1ccn(C)n1 306188689 345078816 /nfs/dbraw/zinc/07/88/16/345078816.db2.gz OXWZLZGRXFMBOQ-YUMQZZPRSA-N 0 0 197.307 1.584 10 0 ADAERN C[C@H]1CSC[C@H]1Nc1ccn(C)n1 306188685 345078828 /nfs/dbraw/zinc/07/88/28/345078828.db2.gz OXWZLZGRXFMBOQ-JGVFFNPUSA-N 0 0 197.307 1.584 10 0 ADAERN C[C@H]1CN(Cc2cc[nH]n2)CCS1 306188589 345079008 /nfs/dbraw/zinc/07/90/08/345079008.db2.gz OLULPJFUNMEBNV-QMMMGPOBSA-N 0 0 197.307 1.347 10 0 ADAERN C[C@@H]1CSC[C@H]1Nc1ccn(C)n1 306188683 345079022 /nfs/dbraw/zinc/07/90/22/345079022.db2.gz OXWZLZGRXFMBOQ-HTQZYQBOSA-N 0 0 197.307 1.584 10 0 ADAERN CC[C@H]1CCN1Cc1noc(C)n1 306188370 345079106 /nfs/dbraw/zinc/07/91/06/345079106.db2.gz AYRALWXNUGNNRB-QMMMGPOBSA-N 0 0 181.239 1.362 10 0 ADAERN Cc1ncc(Cl)c(C(=O)N(C)C)n1 306188885 345079161 /nfs/dbraw/zinc/07/91/61/345079161.db2.gz UQSZRCUTXJTHBB-UHFFFAOYSA-N 0 0 199.641 1.140 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)C(F)(F)F 306188654 345079186 /nfs/dbraw/zinc/07/91/86/345079186.db2.gz OUSCHYRUMLJIJX-RXMQYKEDSA-N 0 0 193.172 1.783 10 0 ADAERN CCC[C@@H]1CC[C@H](CO)O1 306189398 345079350 /nfs/dbraw/zinc/07/93/50/345079350.db2.gz DQWCRKCYNVNMSJ-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1ccc(ON)c(Cl)c1 306189137 345079473 /nfs/dbraw/zinc/07/94/73/345079473.db2.gz HGYFODUBTSOJAA-UHFFFAOYSA-N 0 0 157.600 1.901 10 0 ADAERN COC(=O)NC1[C@@H](C)CC[C@@H]1C 306190024 345079965 /nfs/dbraw/zinc/07/99/65/345079965.db2.gz WEATWKJGLIYBEX-BQBZGAKWSA-N 0 0 171.240 1.777 10 0 ADAERN CCC[C@H]1CC[C@@H](CO)O1 306189733 345079973 /nfs/dbraw/zinc/07/99/73/345079973.db2.gz DQWCRKCYNVNMSJ-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN COC(=O)N[C@@H]1[C@@H](C)CC[C@H]1C 306190026 345080003 /nfs/dbraw/zinc/08/00/03/345080003.db2.gz WEATWKJGLIYBEX-JIGDXULJSA-N 0 0 171.240 1.777 10 0 ADAERN COC(C)(C)c1ncc[nH]c1=O 306189775 345080057 /nfs/dbraw/zinc/08/00/57/345080057.db2.gz DZPJPBYCIOWMNW-UHFFFAOYSA-N 0 0 168.196 1.064 10 0 ADAERN C[C@@H]1C[C@H]1c1cc(CO)[nH]n1 306190044 345080087 /nfs/dbraw/zinc/08/00/87/345080087.db2.gz WEOMXEXLUASNOE-IYSWYEEDSA-N 0 0 152.197 1.025 10 0 ADAERN C[C@@H]1C[C@@H]1c1cc(CO)[nH]n1 306190046 345080094 /nfs/dbraw/zinc/08/00/94/345080094.db2.gz WEOMXEXLUASNOE-VDTYLAMSSA-N 0 0 152.197 1.025 10 0 ADAERN O=C(NCC1(F)CCC1)N1CCC1 306190311 345080101 /nfs/dbraw/zinc/08/01/01/345080101.db2.gz GGWSQDMFTLDAHZ-UHFFFAOYSA-N 0 0 186.230 1.294 10 0 ADAERN CCC[C@@H]1CC[C@@H](CO)O1 306189732 345080222 /nfs/dbraw/zinc/08/02/22/345080222.db2.gz DQWCRKCYNVNMSJ-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1ccc(N2C(=O)CNC2=O)s1 306190157 345080129 /nfs/dbraw/zinc/08/01/29/345080129.db2.gz DSBUMJMASSTJDX-UHFFFAOYSA-N 0 0 196.231 1.113 10 0 ADAERN N[C@@H](c1ccsn1)c1cnsn1 306189828 345080131 /nfs/dbraw/zinc/08/01/31/345080131.db2.gz FMGZRTOIEPRRPM-LURJTMIESA-N 0 0 198.276 1.043 10 0 ADAERN N[C@H](c1ccsn1)c1cnsn1 306189829 345080157 /nfs/dbraw/zinc/08/01/57/345080157.db2.gz FMGZRTOIEPRRPM-ZCFIWIBFSA-N 0 0 198.276 1.043 10 0 ADAERN Cc1ccc(NCCF)nc1 306190196 345080187 /nfs/dbraw/zinc/08/01/87/345080187.db2.gz DVSWZCAZTBOBHO-UHFFFAOYSA-N 0 0 154.188 1.771 10 0 ADAERN CNc1cc2c(nn1)[C@H]1C[C@H]1C2 306189662 345080248 /nfs/dbraw/zinc/08/02/48/345080248.db2.gz JANIXVQCLQEPIW-VDTYLAMSSA-N 0 0 161.208 1.178 10 0 ADAERN CNc1cc2c(nn1)[C@@H]1C[C@@H]1C2 306189659 345080279 /nfs/dbraw/zinc/08/02/79/345080279.db2.gz JANIXVQCLQEPIW-CAHLUQPWSA-N 0 0 161.208 1.178 10 0 ADAERN C[C@H]1C[C@@H]1c1cc(CO)[nH]n1 306190042 345080292 /nfs/dbraw/zinc/08/02/92/345080292.db2.gz WEOMXEXLUASNOE-FSPLSTOPSA-N 0 0 152.197 1.025 10 0 ADAERN COC(=O)NC1[C@H](C)CC[C@H]1C 306190028 345080307 /nfs/dbraw/zinc/08/03/07/345080307.db2.gz WEATWKJGLIYBEX-RNFRBKRXSA-N 0 0 171.240 1.777 10 0 ADAERN C[C@H]1C[C@H]1c1cc(CO)[nH]n1 306190040 345080313 /nfs/dbraw/zinc/08/03/13/345080313.db2.gz WEOMXEXLUASNOE-CAHLUQPWSA-N 0 0 152.197 1.025 10 0 ADAERN Cc1ncc([C@H]2CNC(=O)C2)s1 306190427 345080688 /nfs/dbraw/zinc/08/06/88/345080688.db2.gz LUXYTGKCXSDGEC-ZCFIWIBFSA-N 0 0 182.248 1.055 10 0 ADAERN Cc1ccnc(Nc2c[nH]cn2)n1 306190599 345080713 /nfs/dbraw/zinc/08/07/13/345080713.db2.gz XHAFBJIXPNTHRX-UHFFFAOYSA-N 0 0 175.195 1.252 10 0 ADAERN CC[C@]1(n2cc[nH]c2=S)CCOC1 306190727 345080746 /nfs/dbraw/zinc/08/07/46/345080746.db2.gz FQVRUVARYVXLFX-VIFPVBQESA-N 0 0 198.291 1.697 10 0 ADAERN Cc1ncc([C@@H]2CNC(=O)C2)s1 306190426 345080788 /nfs/dbraw/zinc/08/07/88/345080788.db2.gz LUXYTGKCXSDGEC-LURJTMIESA-N 0 0 182.248 1.055 10 0 ADAERN CC[C@@]1(n2cc[nH]c2=S)CCOC1 306190726 345080795 /nfs/dbraw/zinc/08/07/95/345080795.db2.gz FQVRUVARYVXLFX-SECBINFHSA-N 0 0 198.291 1.697 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CC[C@H]2C[C@H]21 306190718 345080829 /nfs/dbraw/zinc/08/08/29/345080829.db2.gz FOKZBKXVOVNLCD-DGOHKUACSA-N 0 0 179.263 1.867 10 0 ADAERN CC1(C)OC[C@@H](CCCF)[C@H]1O 306200078 345088352 /nfs/dbraw/zinc/08/83/52/345088352.db2.gz JHQICTBMHUGMMB-HTQZYQBOSA-N 0 0 176.231 1.522 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)Nc1ncco1 306190878 345080982 /nfs/dbraw/zinc/08/09/82/345080982.db2.gz GYHBOZWMHHNIMP-PHDIDXHHSA-N 0 0 181.195 1.205 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 306190721 345080989 /nfs/dbraw/zinc/08/09/89/345080989.db2.gz FOKZBKXVOVNLCD-VHNMNNQXSA-N 0 0 179.263 1.867 10 0 ADAERN c1ncc(N[C@@H]2CC[C@H]3C[C@H]32)cn1 306191206 345081168 /nfs/dbraw/zinc/08/11/68/345081168.db2.gz XTDWUSRSLLRLOI-FXBDTBDDSA-N 0 0 175.235 1.687 10 0 ADAERN C=CC(=O)N[C@H]1CC2CCC1CC2 306191336 345081201 /nfs/dbraw/zinc/08/12/01/345081201.db2.gz GKNCVBRJJWOBET-RTBKNWGFSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@@H](c1nc(N)n(C)n1)C(C)(F)F 306191434 345081318 /nfs/dbraw/zinc/08/13/18/345081318.db2.gz OLVXIDNKOWPNJX-BYPYZUCNSA-N 0 0 190.197 1.156 10 0 ADAERN C[C@H](c1nc(N)n(C)n1)C(C)(F)F 306191435 345081322 /nfs/dbraw/zinc/08/13/22/345081322.db2.gz OLVXIDNKOWPNJX-SCSAIBSYSA-N 0 0 190.197 1.156 10 0 ADAERN CCN1CCCC[C@@H]1c1nc[nH]n1 306191070 345081326 /nfs/dbraw/zinc/08/13/26/345081326.db2.gz QTDZKPHGEOFZBR-MRVPVSSYSA-N 0 0 180.255 1.352 10 0 ADAERN C[C@H]1CC[C@H]1N1CCC(=O)C1 306191221 345081336 /nfs/dbraw/zinc/08/13/36/345081336.db2.gz XUFZFBOWTJUEFU-IONNQARKSA-N 0 0 153.225 1.060 10 0 ADAERN c1ncc(N[C@H]2CC[C@H]3C[C@H]32)cn1 306191207 345081354 /nfs/dbraw/zinc/08/13/54/345081354.db2.gz XTDWUSRSLLRLOI-SFGNSQDASA-N 0 0 175.235 1.687 10 0 ADAERN C=CC(=O)N[C@@H]1CC2CCC1CC2 306191337 345081365 /nfs/dbraw/zinc/08/13/65/345081365.db2.gz GKNCVBRJJWOBET-UDNWOFFPSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@@H]1CC[C@@H]1N1CCC(=O)C1 306191219 345081417 /nfs/dbraw/zinc/08/14/17/345081417.db2.gz XUFZFBOWTJUEFU-APPZFPTMSA-N 0 0 153.225 1.060 10 0 ADAERN C[C@@H]1CC[C@H]1N1CCC(=O)C1 306191222 345081476 /nfs/dbraw/zinc/08/14/76/345081476.db2.gz XUFZFBOWTJUEFU-VXNVDRBHSA-N 0 0 153.225 1.060 10 0 ADAERN CCN1CCCC[C@H]1c1nc[nH]n1 306191071 345081501 /nfs/dbraw/zinc/08/15/01/345081501.db2.gz QTDZKPHGEOFZBR-QMMMGPOBSA-N 0 0 180.255 1.352 10 0 ADAERN C[C@H]1CC[C@@H]1N1CCC(=O)C1 306191220 345081516 /nfs/dbraw/zinc/08/15/16/345081516.db2.gz XUFZFBOWTJUEFU-CBAPKCEASA-N 0 0 153.225 1.060 10 0 ADAERN CC[C@H](Nc1ccc(N)nn1)C1CC1 306191848 345081773 /nfs/dbraw/zinc/08/17/73/345081773.db2.gz GQOWDNZJQVIDGG-QMMMGPOBSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ccnn1C 306192151 345081782 /nfs/dbraw/zinc/08/17/82/345081782.db2.gz RXYYTKYFTQVJPK-HTQZYQBOSA-N 0 0 165.240 1.631 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ccnn1C 306192154 345081786 /nfs/dbraw/zinc/08/17/86/345081786.db2.gz RXYYTKYFTQVJPK-YUMQZZPRSA-N 0 0 165.240 1.631 10 0 ADAERN C[C@H]1C[C@@H]1c1cc(C=O)n[nH]1 306192082 345081794 /nfs/dbraw/zinc/08/17/94/345081794.db2.gz QKINIHHJZUMXKY-FSPLSTOPSA-N 0 0 150.181 1.346 10 0 ADAERN CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C 306192203 345081828 /nfs/dbraw/zinc/08/18/28/345081828.db2.gz ISKBEMXAWJFEOA-BWZBUEFSSA-N 0 0 155.241 1.557 10 0 ADAERN COc1ccncc1[C@]1(O)CC[C@@H]1C 306191872 345081873 /nfs/dbraw/zinc/08/18/73/345081873.db2.gz GVRUIKDANMPBLQ-KWQFWETISA-N 0 0 193.246 1.708 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ccnn1C 306192152 345081896 /nfs/dbraw/zinc/08/18/96/345081896.db2.gz RXYYTKYFTQVJPK-JGVFFNPUSA-N 0 0 165.240 1.631 10 0 ADAERN COc1ccncc1[C@]1(O)CC[C@H]1C 306191871 345081987 /nfs/dbraw/zinc/08/19/87/345081987.db2.gz GVRUIKDANMPBLQ-KCJUWKMLSA-N 0 0 193.246 1.708 10 0 ADAERN COc1ccncc1[C@@]1(O)CC[C@H]1C 306191873 345081990 /nfs/dbraw/zinc/08/19/90/345081990.db2.gz GVRUIKDANMPBLQ-LDYMZIIASA-N 0 0 193.246 1.708 10 0 ADAERN CCC[C@@H]1NC(=O)C12CCCC2 306191913 345081993 /nfs/dbraw/zinc/08/19/93/345081993.db2.gz PEMLYUSUWIOECF-QMMMGPOBSA-N 0 0 167.252 1.845 10 0 ADAERN CC1(C)OCC[C@H]1Nc1nncs1 306191890 345082002 /nfs/dbraw/zinc/08/20/02/345082002.db2.gz YLVSJBLAIBTMES-ZCFIWIBFSA-N 0 0 199.279 1.518 10 0 ADAERN Cc1nc2c(c(=O)[nH]1)C(C)(C)OC2 306192028 345082004 /nfs/dbraw/zinc/08/20/04/345082004.db2.gz QDKBIMVLFMMGCV-UHFFFAOYSA-N 0 0 180.207 1.256 10 0 ADAERN CCC1(c2cc(N)no2)CC1 306192163 345082008 /nfs/dbraw/zinc/08/20/08/345082008.db2.gz RZWTUGRKXJZNGK-UHFFFAOYSA-N 0 0 152.197 1.698 10 0 ADAERN CCC[C@H]1NC(=O)C12CCCC2 306191911 345082032 /nfs/dbraw/zinc/08/20/32/345082032.db2.gz PEMLYUSUWIOECF-MRVPVSSYSA-N 0 0 167.252 1.845 10 0 ADAERN C[C@@H]1C[C@H]1c1cc(C=O)n[nH]1 306192083 345082045 /nfs/dbraw/zinc/08/20/45/345082045.db2.gz QKINIHHJZUMXKY-IYSWYEEDSA-N 0 0 150.181 1.346 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1cc(F)c[nH]1 306192645 345082419 /nfs/dbraw/zinc/08/24/19/345082419.db2.gz BUSCROMQADFWKN-FSPLSTOPSA-N 0 0 182.198 1.292 10 0 ADAERN COc1c(Cl)ncnc1N1CCC1 306192453 345082448 /nfs/dbraw/zinc/08/24/48/345082448.db2.gz QNZNPGFKNAGHPG-UHFFFAOYSA-N 0 0 199.641 1.349 10 0 ADAERN CC[C@@H]1CC[C@H](C)N(C(N)=O)C1 306192303 345082452 /nfs/dbraw/zinc/08/24/52/345082452.db2.gz ZDSTWZKPULPBTO-JGVFFNPUSA-N 0 0 170.256 1.576 10 0 ADAERN Cc1cnc(CC2CCC2)nc1N 306193126 345083021 /nfs/dbraw/zinc/08/30/21/345083021.db2.gz DKNPCHBERKPAMI-UHFFFAOYSA-N 0 0 177.251 1.710 10 0 ADAERN NC(=O)N1CC[C@@H](CC(F)(F)F)C1 306193424 345083454 /nfs/dbraw/zinc/08/34/54/345083454.db2.gz KXJJXWUXNXYAAM-YFKPBYRVSA-N 0 0 196.172 1.339 10 0 ADAERN Cc1nc([C@H](N)c2ccc[nH]2)cs1 306193781 345083458 /nfs/dbraw/zinc/08/34/58/345083458.db2.gz DYVVCBWZJJONNE-SECBINFHSA-N 0 0 193.275 1.828 10 0 ADAERN Cc1cc(NC[C@H]2C[C@@H]2C)nn1C 306193912 345083473 /nfs/dbraw/zinc/08/34/73/345083473.db2.gz SXRNRDUEKJVBEX-IONNQARKSA-N 0 0 179.267 1.796 10 0 ADAERN CC[C@@H](C)c1cc(=O)[nH][nH]1 306193478 345083556 /nfs/dbraw/zinc/08/35/56/345083556.db2.gz LKBJEKGEVTVMPA-RXMQYKEDSA-N 0 0 140.186 1.629 10 0 ADAERN Cc1nc([C@@H](N)c2ccc[nH]2)cs1 306193782 345083475 /nfs/dbraw/zinc/08/34/75/345083475.db2.gz DYVVCBWZJJONNE-VIFPVBQESA-N 0 0 193.275 1.828 10 0 ADAERN NC(=O)N1CC[C@H](CC(F)(F)F)C1 306193423 345083502 /nfs/dbraw/zinc/08/35/02/345083502.db2.gz KXJJXWUXNXYAAM-RXMQYKEDSA-N 0 0 196.172 1.339 10 0 ADAERN Cc1cc(NC[C@@H]2C[C@@H]2C)nn1C 306193907 345083504 /nfs/dbraw/zinc/08/35/04/345083504.db2.gz SXRNRDUEKJVBEX-CBAPKCEASA-N 0 0 179.267 1.796 10 0 ADAERN Cc1cc(NC[C@@H]2C[C@H]2C)nn1C 306193903 345083524 /nfs/dbraw/zinc/08/35/24/345083524.db2.gz SXRNRDUEKJVBEX-APPZFPTMSA-N 0 0 179.267 1.796 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1c1cncs1 306194701 345083834 /nfs/dbraw/zinc/08/38/34/345083834.db2.gz GSIKGIDJWSNROA-APPZFPTMSA-N 0 0 196.275 1.730 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1c1cncs1 306194703 345083857 /nfs/dbraw/zinc/08/38/57/345083857.db2.gz GSIKGIDJWSNROA-IONNQARKSA-N 0 0 196.275 1.730 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1C1CCC1 306194757 345083886 /nfs/dbraw/zinc/08/38/86/345083886.db2.gz GWIJWERAJZSHNO-PSASIEDQSA-N 0 0 167.252 1.701 10 0 ADAERN OCCc1cccc(O)c1Cl 306194300 345083888 /nfs/dbraw/zinc/08/38/88/345083888.db2.gz FQDWSLHXAQVPLC-UHFFFAOYSA-N 0 0 172.611 1.580 10 0 ADAERN CN(C)c1ccc([C@H](O)C2CC2)cn1 306194463 345083898 /nfs/dbraw/zinc/08/38/98/345083898.db2.gz VVVHOXMHPNNQOG-LLVKDONJSA-N 0 0 192.262 1.591 10 0 ADAERN NC(=S)N[C@@H]1CCC(F)(F)C1 306194183 345083904 /nfs/dbraw/zinc/08/39/04/345083904.db2.gz MBPNGSZFQWPXEN-SCSAIBSYSA-N 0 0 180.223 1.007 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1c1cncs1 306194702 345083912 /nfs/dbraw/zinc/08/39/12/345083912.db2.gz GSIKGIDJWSNROA-CBAPKCEASA-N 0 0 196.275 1.730 10 0 ADAERN CNc1nnc(C(C)(C)F)n1C 306194555 345083922 /nfs/dbraw/zinc/08/39/22/345083922.db2.gz WYUXSICMYPREDM-UHFFFAOYSA-N 0 0 172.207 1.061 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1C1CCC1 306194763 345083976 /nfs/dbraw/zinc/08/39/76/345083976.db2.gz GWIJWERAJZSHNO-WPRPVWTQSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@@H](NO)c1ccc(O)c(F)c1 306194203 345083994 /nfs/dbraw/zinc/08/39/94/345083994.db2.gz MFQSWBDNHILBCE-MRVPVSSYSA-N 0 0 185.198 1.961 10 0 ADAERN NC(=S)N[C@H]1CCC(F)(F)C1 306194181 345084027 /nfs/dbraw/zinc/08/40/27/345084027.db2.gz MBPNGSZFQWPXEN-BYPYZUCNSA-N 0 0 180.223 1.007 10 0 ADAERN CN(C)c1ccc([C@@H](O)C2CC2)cn1 306194464 345084044 /nfs/dbraw/zinc/08/40/44/345084044.db2.gz VVVHOXMHPNNQOG-NSHDSACASA-N 0 0 192.262 1.591 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1C1CCC1 306194761 345084056 /nfs/dbraw/zinc/08/40/56/345084056.db2.gz GWIJWERAJZSHNO-WCBMZHEXSA-N 0 0 167.252 1.701 10 0 ADAERN CC1(C)CC[C@]1(O)c1cncnc1 306194557 345084060 /nfs/dbraw/zinc/08/40/60/345084060.db2.gz WZLFLPQFUZGECA-JTQLQIEISA-N 0 0 178.235 1.484 10 0 ADAERN CC1(C)CC[C@@]1(O)c1cncnc1 306194559 345084086 /nfs/dbraw/zinc/08/40/86/345084086.db2.gz WZLFLPQFUZGECA-SNVBAGLBSA-N 0 0 178.235 1.484 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1C1CCC1 306194759 345084088 /nfs/dbraw/zinc/08/40/88/345084088.db2.gz GWIJWERAJZSHNO-SCZZXKLOSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1c1cncs1 306194705 345084099 /nfs/dbraw/zinc/08/40/99/345084099.db2.gz GSIKGIDJWSNROA-VXNVDRBHSA-N 0 0 196.275 1.730 10 0 ADAERN O=C1CC(C2CC2)(C2CC2)N1 306195089 345084387 /nfs/dbraw/zinc/08/43/87/345084387.db2.gz HKSZYXWYIZXJCY-UHFFFAOYSA-N 0 0 151.209 1.065 10 0 ADAERN CC1(C)CCN(C[C@@H]2CO2)C(=O)C1 306194865 345084458 /nfs/dbraw/zinc/08/44/58/345084458.db2.gz GSAITOKCUBNTKG-MRVPVSSYSA-N 0 0 183.251 1.034 10 0 ADAERN Cc1ccc(C(N)=S)nc1C 306195332 345084463 /nfs/dbraw/zinc/08/44/63/345084463.db2.gz IKYVFAMWEDXDJW-UHFFFAOYSA-N 0 0 166.249 1.333 10 0 ADAERN CC1(C)CCN(C[C@H]2CO2)C(=O)C1 306194866 345084475 /nfs/dbraw/zinc/08/44/75/345084475.db2.gz GSAITOKCUBNTKG-QMMMGPOBSA-N 0 0 183.251 1.034 10 0 ADAERN C[C@@H]1Sc2cnccc2NC1=O 306195331 345084539 /nfs/dbraw/zinc/08/45/39/345084539.db2.gz IKQFKYCEZASTHJ-YFKPBYRVSA-N 0 0 180.232 1.514 10 0 ADAERN C[C@H]1Sc2cnccc2NC1=O 306195330 345084572 /nfs/dbraw/zinc/08/45/72/345084572.db2.gz IKQFKYCEZASTHJ-RXMQYKEDSA-N 0 0 180.232 1.514 10 0 ADAERN C[C@@H](CF)Nc1cncc(Cl)n1 306195304 345084707 /nfs/dbraw/zinc/08/47/07/345084707.db2.gz HWZAPVAUGABEJH-YFKPBYRVSA-N 0 0 189.621 1.900 10 0 ADAERN O=C1NC(C2CC2)(C2CC2)CO1 306195344 345084971 /nfs/dbraw/zinc/08/49/71/345084971.db2.gz IQLSTSFTAYHFCD-UHFFFAOYSA-N 0 0 167.208 1.285 10 0 ADAERN Cc1nc(-c2cn(C)cn2)c(N)s1 306195907 345084988 /nfs/dbraw/zinc/08/49/88/345084988.db2.gz PDIBKPMGFRVLPF-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC1(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)CC1 306195549 345085038 /nfs/dbraw/zinc/08/50/38/345085038.db2.gz VFFYUDGLQNXEIH-BRPSZJMVSA-N 0 0 179.263 1.701 10 0 ADAERN CCC(=O)NC1[C@@H](C)CC[C@@H]1C 306195535 345085108 /nfs/dbraw/zinc/08/51/08/345085108.db2.gz VEBLGGCSDLDAPO-YUMQZZPRSA-N 0 0 169.268 1.947 10 0 ADAERN Cc1nnc([C@@H](C)C(C)(F)F)[nH]1 306195420 345085147 /nfs/dbraw/zinc/08/51/47/345085147.db2.gz YIOAWAFYGRAPKP-SCSAIBSYSA-N 0 0 175.182 1.872 10 0 ADAERN Cc1nnc([C@H](C)C(C)(F)F)[nH]1 306195418 345085215 /nfs/dbraw/zinc/08/52/15/345085215.db2.gz YIOAWAFYGRAPKP-BYPYZUCNSA-N 0 0 175.182 1.872 10 0 ADAERN CCC(=O)N[C@@H]1[C@@H](C)CC[C@H]1C 306195534 345085229 /nfs/dbraw/zinc/08/52/29/345085229.db2.gz VEBLGGCSDLDAPO-MBTKJCJQSA-N 0 0 169.268 1.947 10 0 ADAERN CCC(=O)NC1[C@H](C)CC[C@H]1C 306195533 345085290 /nfs/dbraw/zinc/08/52/90/345085290.db2.gz VEBLGGCSDLDAPO-HTQZYQBOSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@H]1CCCN(c2cccnn2)C1 306195547 345085348 /nfs/dbraw/zinc/08/53/48/345085348.db2.gz VFEFAJZFVJWXKH-VIFPVBQESA-N 0 0 177.251 1.713 10 0 ADAERN C[C@@H]1CCCN(c2cccnn2)C1 306195546 345085364 /nfs/dbraw/zinc/08/53/64/345085364.db2.gz VFEFAJZFVJWXKH-SECBINFHSA-N 0 0 177.251 1.713 10 0 ADAERN CNc1cc(C)c(N)cc1F 306196005 345085626 /nfs/dbraw/zinc/08/56/26/345085626.db2.gz KXIFUCXVSOVYDR-UHFFFAOYSA-N 0 0 154.188 1.758 10 0 ADAERN O=C(c1ccsn1)[C@@H]1CCOC1 306196363 345085699 /nfs/dbraw/zinc/08/56/99/345085699.db2.gz PWQNRYNFOIMKPF-ZCFIWIBFSA-N 0 0 183.232 1.362 10 0 ADAERN O=C(c1ccsn1)[C@H]1CCOC1 306196362 345085705 /nfs/dbraw/zinc/08/57/05/345085705.db2.gz PWQNRYNFOIMKPF-LURJTMIESA-N 0 0 183.232 1.362 10 0 ADAERN C[C@@H](O)c1csc(-c2cn[nH]c2)n1 306197406 345086202 /nfs/dbraw/zinc/08/62/02/345086202.db2.gz NNLWCDVHZMQOFV-RXMQYKEDSA-N 0 0 195.247 1.587 10 0 ADAERN CC1(C)CC[C@@]12COC(=O)N2 306196746 345086235 /nfs/dbraw/zinc/08/62/35/345086235.db2.gz MZBOLSAALYLDDY-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN CSC(C)(C)c1noc(N)n1 306197344 345086247 /nfs/dbraw/zinc/08/62/47/345086247.db2.gz MYEWXMOKQAZKAM-UHFFFAOYSA-N 0 0 173.241 1.250 10 0 ADAERN C[C@H](O)c1csc(-c2cn[nH]c2)n1 306197407 345086270 /nfs/dbraw/zinc/08/62/70/345086270.db2.gz NNLWCDVHZMQOFV-YFKPBYRVSA-N 0 0 195.247 1.587 10 0 ADAERN CCc1nc(Cl)cc(N2CCC2)n1 306197343 345086274 /nfs/dbraw/zinc/08/62/74/345086274.db2.gz MXRZOSWNKUSDMJ-UHFFFAOYSA-N 0 0 197.669 1.903 10 0 ADAERN O=C1NCCN1[C@@H]1CCC(F)(F)C1 306197041 345086327 /nfs/dbraw/zinc/08/63/27/345086327.db2.gz WKYPARUFIFPMGA-ZCFIWIBFSA-N 0 0 190.193 1.199 10 0 ADAERN 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198.295 1.209 10 0 ADAERN Cc1cccc(OC(=O)N(C)C)c1N 306222512 345115234 /nfs/dbraw/zinc/11/52/34/345115234.db2.gz XABVMZYLZWTDQY-UHFFFAOYSA-N 0 0 194.234 1.638 10 0 ADAERN COc1c(C)nc([C@@H]2C[C@H]2C)nc1N 306222613 345115316 /nfs/dbraw/zinc/11/53/16/345115316.db2.gz XMYGPQQSSHDGIP-IYSWYEEDSA-N 0 0 193.250 1.499 10 0 ADAERN CC1(c2nnc(C(F)F)o2)COC1 306222635 345115464 /nfs/dbraw/zinc/11/54/64/345115464.db2.gz QWFBKFBRAUOBDF-UHFFFAOYSA-N 0 0 190.149 1.295 10 0 ADAERN COc1c(C)nc([C@H]2C[C@@H]2C)nc1N 306222612 345115489 /nfs/dbraw/zinc/11/54/89/345115489.db2.gz XMYGPQQSSHDGIP-FSPLSTOPSA-N 0 0 193.250 1.499 10 0 ADAERN COc1c(C)nc([C@H]2C[C@H]2C)nc1N 306222614 345115504 /nfs/dbraw/zinc/11/55/04/345115504.db2.gz XMYGPQQSSHDGIP-VDTYLAMSSA-N 0 0 193.250 1.499 10 0 ADAERN c1cnc(N[C@@H]2CC[C@@H]3C[C@@H]32)cn1 306222620 345115546 /nfs/dbraw/zinc/11/55/46/345115546.db2.gz QUGHOAAMFGGXAI-HRDYMLBCSA-N 0 0 175.235 1.687 10 0 ADAERN c1cnc(N[C@@H]2CC[C@H]3C[C@H]32)cn1 306222619 345115553 /nfs/dbraw/zinc/11/55/53/345115553.db2.gz QUGHOAAMFGGXAI-DJLDLDEBSA-N 0 0 175.235 1.687 10 0 ADAERN Cc1cc(C)nc(N[C@@H](C)[C@@H](C)O)n1 306222841 345115703 /nfs/dbraw/zinc/11/57/03/345115703.db2.gz KXYATTQQXGXMTC-DTWKUNHWSA-N 0 0 195.266 1.275 10 0 ADAERN CN(C)C(=O)C[C@H]1CC1(Cl)Cl 306222928 345115764 /nfs/dbraw/zinc/11/57/64/345115764.db2.gz XYDCDHWPDMSCGI-YFKPBYRVSA-N 0 0 196.077 1.659 10 0 ADAERN Cn1ccnc1[C@@H](N)C(C)(F)F 306222882 345115831 /nfs/dbraw/zinc/11/58/31/345115831.db2.gz XPCJNXUIDGFGBR-RXMQYKEDSA-N 0 0 175.182 1.075 10 0 ADAERN CN(C)C(=O)C[C@@H]1CC1(Cl)Cl 306222927 345115895 /nfs/dbraw/zinc/11/58/95/345115895.db2.gz XYDCDHWPDMSCGI-RXMQYKEDSA-N 0 0 196.077 1.659 10 0 ADAERN Cc1nsc(C(=O)N(C)C(C)C)n1 306223203 345115944 /nfs/dbraw/zinc/11/59/44/345115944.db2.gz RPKPWLGADYGCMM-UHFFFAOYSA-N 0 0 199.279 1.327 10 0 ADAERN Cc1cc(C)nc(N[C@@H](C)[C@H](C)O)n1 306222843 345115954 /nfs/dbraw/zinc/11/59/54/345115954.db2.gz KXYATTQQXGXMTC-IUCAKERBSA-N 0 0 195.266 1.275 10 0 ADAERN O=C(Nc1cc(Cl)[nH]n1)C1CCC1 306222878 345115960 /nfs/dbraw/zinc/11/59/60/345115960.db2.gz XNYKGPNNGQDJAX-UHFFFAOYSA-N 0 0 199.641 1.802 10 0 ADAERN Cc1cc(C)nc(N[C@H](C)[C@H](C)O)n1 306222839 345115963 /nfs/dbraw/zinc/11/59/63/345115963.db2.gz KXYATTQQXGXMTC-BDAKNGLRSA-N 0 0 195.266 1.275 10 0 ADAERN CC(C)(C)C(C)(C)NC(=S)NN 306222916 345115981 /nfs/dbraw/zinc/11/59/81/345115981.db2.gz XWJAMQHZBFNWMN-UHFFFAOYSA-N 0 0 189.328 1.149 10 0 ADAERN Cn1ccnc1[C@H](N)C(C)(F)F 306222883 345115988 /nfs/dbraw/zinc/11/59/88/345115988.db2.gz XPCJNXUIDGFGBR-YFKPBYRVSA-N 0 0 175.182 1.075 10 0 ADAERN CCc1noc([C@@H]2CC[C@H](C)O2)n1 306222960 345116053 /nfs/dbraw/zinc/11/60/53/345116053.db2.gz YBWISVWZDYRZAY-BQBZGAKWSA-N 0 0 182.223 1.872 10 0 ADAERN CC1(F)CN(C(=O)NC(C)(C)C)C1 306223269 345116095 /nfs/dbraw/zinc/11/60/95/345116095.db2.gz RWRCNZBYZIAJDB-UHFFFAOYSA-N 0 0 188.246 1.538 10 0 ADAERN CC[C@@H]1SCCS[C@H]1CNN 306223667 345116294 /nfs/dbraw/zinc/11/62/94/345116294.db2.gz SMGOIZRMOOVXNN-BQBZGAKWSA-N 0 0 192.353 1.077 10 0 ADAERN Cc1cc(NC[C@@H](C)CO)nnc1C 306223628 345116315 /nfs/dbraw/zinc/11/63/15/345116315.db2.gz SHHYPCCEUYPDLL-SSDOTTSWSA-N 0 0 195.266 1.134 10 0 ADAERN C[C@]1(CNc2ncns2)CCOC1 306223594 345116323 /nfs/dbraw/zinc/11/63/23/345116323.db2.gz SCEJKVOQZINJSA-MRVPVSSYSA-N 0 0 199.279 1.377 10 0 ADAERN C[C@@H]1CN([C@H](C)C(F)(F)F)CCO1 306223309 345116330 /nfs/dbraw/zinc/11/63/30/345116330.db2.gz YHFJIWSAVSUCKF-RNFRBKRXSA-N 0 0 197.200 1.658 10 0 ADAERN CC[C@H]1SCCS[C@H]1CNN 306223671 345116337 /nfs/dbraw/zinc/11/63/37/345116337.db2.gz SMGOIZRMOOVXNN-RQJHMYQMSA-N 0 0 192.353 1.077 10 0 ADAERN C[C@H]1CN([C@@H](C)C(F)(F)F)CCO1 306223307 345116472 /nfs/dbraw/zinc/11/64/72/345116472.db2.gz YHFJIWSAVSUCKF-BQBZGAKWSA-N 0 0 197.200 1.658 10 0 ADAERN CC[C@@H]1SCCS[C@@H]1CNN 306223669 345116371 /nfs/dbraw/zinc/11/63/71/345116371.db2.gz SMGOIZRMOOVXNN-NKWVEPMBSA-N 0 0 192.353 1.077 10 0 ADAERN Cc1cc(NC[C@H](C)CO)nnc1C 306223629 345116377 /nfs/dbraw/zinc/11/63/77/345116377.db2.gz SHHYPCCEUYPDLL-ZETCQYMHSA-N 0 0 195.266 1.134 10 0 ADAERN C[C@@H]1[C@@H](Nc2cncnc2)C[C@H]1C 306223318 345116383 /nfs/dbraw/zinc/11/63/83/345116383.db2.gz YHYQDSAHJIHEJK-WEDXCCLWSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@H]1CN([C@H](C)C(F)(F)F)CCO1 306223308 345116393 /nfs/dbraw/zinc/11/63/93/345116393.db2.gz YHFJIWSAVSUCKF-NKWVEPMBSA-N 0 0 197.200 1.658 10 0 ADAERN C[C@H](N1CCO[C@H](C)C1)C(F)(F)F 306223310 345116426 /nfs/dbraw/zinc/11/64/26/345116426.db2.gz YHFJIWSAVSUCKF-RQJHMYQMSA-N 0 0 197.200 1.658 10 0 ADAERN C[C@@]1(CNc2ncns2)CCOC1 306223595 345116436 /nfs/dbraw/zinc/11/64/36/345116436.db2.gz SCEJKVOQZINJSA-QMMMGPOBSA-N 0 0 199.279 1.377 10 0 ADAERN CCOC(=O)c1cc(N)oc1C 306223346 345116439 /nfs/dbraw/zinc/11/64/39/345116439.db2.gz YMQDISSKQMZZCT-UHFFFAOYSA-N 0 0 169.180 1.347 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1cncnc1 306223315 345116464 /nfs/dbraw/zinc/11/64/64/345116464.db2.gz YHYQDSAHJIHEJK-KHQFGBGNSA-N 0 0 177.251 1.933 10 0 ADAERN CC(C)=C(C)C(=O)Nc1nc[nH]n1 306223632 345116497 /nfs/dbraw/zinc/11/64/97/345116497.db2.gz SHPLNQINUQLKAQ-UHFFFAOYSA-N 0 0 180.211 1.100 10 0 ADAERN CC[C@H]1SCCS[C@@H]1CNN 306223670 345116526 /nfs/dbraw/zinc/11/65/26/345116526.db2.gz SMGOIZRMOOVXNN-RNFRBKRXSA-N 0 0 192.353 1.077 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cncnc2)[C@@H]1C 306223317 345116528 /nfs/dbraw/zinc/11/65/28/345116528.db2.gz YHYQDSAHJIHEJK-NQMVMOMDSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@@H]1C[C@H](Nc2cncnc2)[C@@H]1C 306223316 345116571 /nfs/dbraw/zinc/11/65/71/345116571.db2.gz YHYQDSAHJIHEJK-MRTMQBJTSA-N 0 0 177.251 1.933 10 0 ADAERN CC[C@](C)(O)CN1CCC(F)(F)C1 306223945 345116882 /nfs/dbraw/zinc/11/68/82/345116882.db2.gz CWDWUDCWCIEVQW-QMMMGPOBSA-N 0 0 193.237 1.488 10 0 ADAERN Cc1csc(C(=O)N[C@H]2C[C@H]2C)n1 306224122 345116915 /nfs/dbraw/zinc/11/69/15/345116915.db2.gz SXHWRBGBBSEODE-VDTYLAMSSA-N 0 0 196.275 1.590 10 0 ADAERN C/C=C/C(=O)Nc1ccncc1O 306224160 345116939 /nfs/dbraw/zinc/11/69/39/345116939.db2.gz TXULCUPBYPXPSO-NSCUHMNNSA-N 0 0 178.191 1.302 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ccc(N)cn1 306224293 345116952 /nfs/dbraw/zinc/11/69/52/345116952.db2.gz ZTLCUZJIHSGKHT-APPZFPTMSA-N 0 0 177.251 1.874 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1cncc(C)n1 306224376 345116965 /nfs/dbraw/zinc/11/69/65/345116965.db2.gz DHNQWIMVWYWQSY-BDAKNGLRSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1csc(C(=O)N[C@H]2C[C@@H]2C)n1 306224120 345116976 /nfs/dbraw/zinc/11/69/76/345116976.db2.gz SXHWRBGBBSEODE-FSPLSTOPSA-N 0 0 196.275 1.590 10 0 ADAERN CC[C@H]1C[C@H]1Nc1cncc(C)n1 306224379 345116978 /nfs/dbraw/zinc/11/69/78/345116978.db2.gz DHNQWIMVWYWQSY-DTWKUNHWSA-N 0 0 177.251 1.995 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1cncc(C)n1 306224381 345117009 /nfs/dbraw/zinc/11/70/09/345117009.db2.gz DHNQWIMVWYWQSY-IUCAKERBSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1csc(C(=O)N[C@@H]2C[C@@H]2C)n1 306224119 345117028 /nfs/dbraw/zinc/11/70/28/345117028.db2.gz SXHWRBGBBSEODE-CAHLUQPWSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1csc(C(=O)N[C@@H]2C[C@H]2C)n1 306224121 345117042 /nfs/dbraw/zinc/11/70/42/345117042.db2.gz SXHWRBGBBSEODE-IYSWYEEDSA-N 0 0 196.275 1.590 10 0 ADAERN CC(C)(c1nc(N)no1)C1CCC1 306223961 345117076 /nfs/dbraw/zinc/11/70/76/345117076.db2.gz CPWUOMLXSPHOOG-UHFFFAOYSA-N 0 0 181.239 1.730 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ccc(N)cn1 306224296 345117142 /nfs/dbraw/zinc/11/71/42/345117142.db2.gz ZTLCUZJIHSGKHT-VXNVDRBHSA-N 0 0 177.251 1.874 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1cncc(C)n1 306224383 345117156 /nfs/dbraw/zinc/11/71/56/345117156.db2.gz DHNQWIMVWYWQSY-RKDXNWHRSA-N 0 0 177.251 1.995 10 0 ADAERN CC[C@@](C)(O)CN1CCC(F)(F)C1 306223943 345117165 /nfs/dbraw/zinc/11/71/65/345117165.db2.gz CWDWUDCWCIEVQW-MRVPVSSYSA-N 0 0 193.237 1.488 10 0 ADAERN Cc1coc(NCC2CC2)n1 306224406 345117579 /nfs/dbraw/zinc/11/75/79/345117579.db2.gz DIOCQSZGIABXMF-UHFFFAOYSA-N 0 0 152.197 1.805 10 0 ADAERN O[C@H]1CCC[C@@H]1Nc1cccc(F)n1 306224690 345117600 /nfs/dbraw/zinc/11/76/00/345117600.db2.gz AXINUSCGYCRXRE-YUMQZZPRSA-N 0 0 196.225 1.546 10 0 ADAERN O[C@H]1CCC[C@H]1Nc1cccc(F)n1 306224687 345117625 /nfs/dbraw/zinc/11/76/25/345117625.db2.gz AXINUSCGYCRXRE-SFYZADRCSA-N 0 0 196.225 1.546 10 0 ADAERN O=C(OC1CC1)c1ccco1 306224587 345117688 /nfs/dbraw/zinc/11/76/88/345117688.db2.gz UKFAPTYLAQXSJM-UHFFFAOYSA-N 0 0 152.149 1.599 10 0 ADAERN O[C@@H]1CCC[C@@H]1Nc1cccc(F)n1 306224685 345117778 /nfs/dbraw/zinc/11/77/78/345117778.db2.gz AXINUSCGYCRXRE-JGVFFNPUSA-N 0 0 196.225 1.546 10 0 ADAERN CCN1CCNc2cncc(Cl)c21 306224676 345117804 /nfs/dbraw/zinc/11/78/04/345117804.db2.gz DURMNPUPULYUHY-UHFFFAOYSA-N 0 0 197.669 1.987 10 0 ADAERN Nc1cnc(CC2CCC2)nc1 306225016 345118184 /nfs/dbraw/zinc/11/81/84/345118184.db2.gz DUCUUQNFHHFLCL-UHFFFAOYSA-N 0 0 163.224 1.401 10 0 ADAERN CC1(C)COC[C@@H]1Nc1cncnc1 306224967 345118271 /nfs/dbraw/zinc/11/82/71/345118271.db2.gz LGLWHOWPUJFCKO-VIFPVBQESA-N 0 0 193.250 1.314 10 0 ADAERN Cc1cc(C(=O)[O-])cc(N2CCC2)[nH+]1 306224874 345118298 /nfs/dbraw/zinc/11/82/98/345118298.db2.gz FJFZKQOMYVYUSH-UHFFFAOYSA-N 0 0 192.218 1.298 10 0 ADAERN CC1(C)COC[C@H]1Nc1cncnc1 306224963 345118320 /nfs/dbraw/zinc/11/83/20/345118320.db2.gz LGLWHOWPUJFCKO-SECBINFHSA-N 0 0 193.250 1.314 10 0 ADAERN O=C(NC1CC1)N1CC(C2CC2)C1 306224985 345118335 /nfs/dbraw/zinc/11/83/35/345118335.db2.gz LIOJYWYQAYRYMI-UHFFFAOYSA-N 0 0 180.251 1.200 10 0 ADAERN CN(C)NCc1ccsc1Cl 306224838 345118423 /nfs/dbraw/zinc/11/84/23/345118423.db2.gz LDQDLPATAWZAIF-UHFFFAOYSA-N 0 0 190.699 1.968 10 0 ADAERN FCCn1c(=S)[nH]c2ccncc21 306225479 345118908 /nfs/dbraw/zinc/11/89/08/345118908.db2.gz GATVARPOLQUJQF-UHFFFAOYSA-N 0 0 197.238 1.690 10 0 ADAERN C[C@@H]1NC(=O)C[C@]12CCOC2(C)C 306225456 345118921 /nfs/dbraw/zinc/11/89/21/345118921.db2.gz FYCJXYNSQTYORG-OIBJUYFYSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1/C(=C2/CC(=O)NC2=O)C[C@H]1C 306225674 345118949 /nfs/dbraw/zinc/11/89/49/345118949.db2.gz BPSGYKRRRPZPTQ-WXKUBGNVSA-N 0 0 179.219 1.005 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12CCOC2(C)C 306225460 345119043 /nfs/dbraw/zinc/11/90/43/345119043.db2.gz FYCJXYNSQTYORG-XVKPBYJWSA-N 0 0 183.251 1.080 10 0 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KEACOPLEMWTTFD-NTSWFWBYSA-N 0 0 190.220 1.190 10 0 ADAERN Cn1nccc1NCc1cocn1 306232037 345125967 /nfs/dbraw/zinc/12/59/67/345125967.db2.gz KIRKWGMZIRCNHE-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN CC(=O)[C@@H](C)S[C@H]1COC(=O)O1 306231986 345125989 /nfs/dbraw/zinc/12/59/89/345125989.db2.gz KEACOPLEMWTTFD-RITPCOANSA-N 0 0 190.220 1.190 10 0 ADAERN C[C@H]1C[C@@H](Cn2ccnc2)CCO1 306232663 345126006 /nfs/dbraw/zinc/12/60/06/345126006.db2.gz AMZUJLRSCMNBDR-UWVGGRQHSA-N 0 0 180.251 1.698 10 0 ADAERN CC(=O)[C@H](C)S[C@H]1COC(=O)O1 306231987 345126010 /nfs/dbraw/zinc/12/60/10/345126010.db2.gz KEACOPLEMWTTFD-WDSKDSINSA-N 0 0 190.220 1.190 10 0 ADAERN CNC(=O)NC1CCC2(CC1)CC2 306232607 345126033 /nfs/dbraw/zinc/12/60/33/345126033.db2.gz DTVXWVZGNOJSIS-UHFFFAOYSA-N 0 0 182.267 1.638 10 0 ADAERN CN[C@@]1(C(F)(F)F)COCC1(C)C 306232196 345126044 /nfs/dbraw/zinc/12/60/44/345126044.db2.gz MFQFJVHCJLINPK-ZETCQYMHSA-N 0 0 197.200 1.563 10 0 ADAERN CN[C@]1(C(F)(F)F)COCC1(C)C 306232183 345126046 /nfs/dbraw/zinc/12/60/46/345126046.db2.gz MFQFJVHCJLINPK-SSDOTTSWSA-N 0 0 197.200 1.563 10 0 ADAERN CC1(C(=O)NC2(CO)CCCC2)CC1 306232970 345126392 /nfs/dbraw/zinc/12/63/92/345126392.db2.gz MOGFNRDPGDSDBN-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN CC[C@](N)([C@H]1CCOC1)C(F)(F)F 306232996 345126380 /nfs/dbraw/zinc/12/63/80/345126380.db2.gz KPHGPKGLDZQDQC-BQBZGAKWSA-N 0 0 197.200 1.693 10 0 ADAERN CC[C@@](N)([C@H]1CCOC1)C(F)(F)F 306232997 345126490 /nfs/dbraw/zinc/12/64/90/345126490.db2.gz KPHGPKGLDZQDQC-NKWVEPMBSA-N 0 0 197.200 1.693 10 0 ADAERN CC[C@@](N)([C@@H]1CCOC1)C(F)(F)F 306232998 345126531 /nfs/dbraw/zinc/12/65/31/345126531.db2.gz KPHGPKGLDZQDQC-RNFRBKRXSA-N 0 0 197.200 1.693 10 0 ADAERN Cc1cc(C)c(C(=O)N2CC2)[nH]1 306233006 345126555 /nfs/dbraw/zinc/12/65/55/345126555.db2.gz KQPLRYYUYGCKDI-UHFFFAOYSA-N 0 0 164.208 1.087 10 0 ADAERN CC[C@](N)([C@@H]1CCOC1)C(F)(F)F 306232999 345126585 /nfs/dbraw/zinc/12/65/85/345126585.db2.gz KPHGPKGLDZQDQC-RQJHMYQMSA-N 0 0 197.200 1.693 10 0 ADAERN Cc1ccc(N[C@H]2CC[C@@H](O)C2)nc1 306234057 345126937 /nfs/dbraw/zinc/12/69/37/345126937.db2.gz MYYIESCSZCUGRY-VHSXEESVSA-N 0 0 192.262 1.715 10 0 ADAERN C[C@@H]1CO[C@H](C2CCC2)C[NH2+]1 306233488 345127002 /nfs/dbraw/zinc/12/70/02/345127002.db2.gz DDTVCIYMZSUGJB-APPZFPTMSA-N 0 0 155.241 1.163 10 0 ADAERN Cc1ccc(Cl)cc1CNC(N)=O 306233937 345127021 /nfs/dbraw/zinc/12/70/21/345127021.db2.gz LDKIYINJWZAKTD-UHFFFAOYSA-N 0 0 198.653 1.817 10 0 ADAERN C[C@H]1CO[C@@H](C2CCC2)C[NH2+]1 306233490 345127034 /nfs/dbraw/zinc/12/70/34/345127034.db2.gz DDTVCIYMZSUGJB-IONNQARKSA-N 0 0 155.241 1.163 10 0 ADAERN C[C@@H]1CO[C@@H](C2CCC2)C[NH2+]1 306233491 345127059 /nfs/dbraw/zinc/12/70/59/345127059.db2.gz DDTVCIYMZSUGJB-VXNVDRBHSA-N 0 0 155.241 1.163 10 0 ADAERN O=C(NN1CCCC1)c1ccsc1 306234038 345127104 /nfs/dbraw/zinc/12/71/04/345127104.db2.gz MXWFWFJVTSUNIN-UHFFFAOYSA-N 0 0 196.275 1.489 10 0 ADAERN C[C@H]1CO[C@H](C2CCC2)C[NH2+]1 306233489 345127107 /nfs/dbraw/zinc/12/71/07/345127107.db2.gz DDTVCIYMZSUGJB-CBAPKCEASA-N 0 0 155.241 1.163 10 0 ADAERN CC(C)(Nc1ncccn1)C(F)F 306234199 345127450 /nfs/dbraw/zinc/12/74/50/345127450.db2.gz MIHDKAXCOGPOED-UHFFFAOYSA-N 0 0 187.193 1.932 10 0 ADAERN CCNC(=O)C1(F)CCCCC1 306234410 345127455 /nfs/dbraw/zinc/12/74/55/345127455.db2.gz DFDNQHVFQYWKMR-UHFFFAOYSA-N 0 0 173.231 1.795 10 0 ADAERN CSCC(=O)N1CC(C)(C)C1 306234200 345127479 /nfs/dbraw/zinc/12/74/79/345127479.db2.gz MIIAOLGRONPGEO-UHFFFAOYSA-N 0 0 173.281 1.218 10 0 ADAERN CCOc1cccc(N2CCC2)c1N 306234417 345127645 /nfs/dbraw/zinc/12/76/45/345127645.db2.gz DWGVGABYJJGCTF-UHFFFAOYSA-N 0 0 192.262 1.878 10 0 ADAERN CNc1nc(C2(C)CCCC2)no1 306234204 345127674 /nfs/dbraw/zinc/12/76/74/345127674.db2.gz MJCHKMNGESPYJX-UHFFFAOYSA-N 0 0 181.239 1.943 10 0 ADAERN CC1(C)OCC[C@H]1NC(=O)NC1CC1 306234119 345127738 /nfs/dbraw/zinc/12/77/38/345127738.db2.gz NCHYSEUIQRTVFW-MRVPVSSYSA-N 0 0 198.266 1.016 10 0 ADAERN FC1(F)CCN(Cc2ccc[nH]2)C1 306234702 345127741 /nfs/dbraw/zinc/12/77/41/345127741.db2.gz GMLJWJWKGCXTAA-UHFFFAOYSA-N 0 0 186.205 1.856 10 0 ADAERN Nc1ccc(NCCC(F)F)cn1 306234496 345127745 /nfs/dbraw/zinc/12/77/45/345127745.db2.gz FEXYTGQIALGQRN-UHFFFAOYSA-N 0 0 187.193 1.731 10 0 ADAERN CCCC(=O)N1CC[C@H](C)[C@@H](F)C1 306234917 345127961 /nfs/dbraw/zinc/12/79/61/345127961.db2.gz NOCCNIJOMULMNE-IUCAKERBSA-N 0 0 187.258 1.993 10 0 ADAERN CC1(C)OCC[C@@]1(O)Cc1ccoc1 306234854 345127965 /nfs/dbraw/zinc/12/79/65/345127965.db2.gz NJAGKDWCFNHJAV-LLVKDONJSA-N 0 0 196.246 1.752 10 0 ADAERN C[C@@H]1C[C@H]1c1coc(N)n1 306235228 345127989 /nfs/dbraw/zinc/12/79/89/345127989.db2.gz DQHGKXNWJSGNPT-RFZPGFLSSA-N 0 0 138.170 1.380 10 0 ADAERN C[C@@H]1C[C@@H]1c1coc(N)n1 306235229 345127998 /nfs/dbraw/zinc/12/79/98/345127998.db2.gz DQHGKXNWJSGNPT-UHNVWZDZSA-N 0 0 138.170 1.380 10 0 ADAERN COC1([C@@H]2CNC(=O)C2)CCCCC1 306235332 345128013 /nfs/dbraw/zinc/12/80/13/345128013.db2.gz GHJJTSFQNDHDGY-VIFPVBQESA-N 0 0 197.278 1.472 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)N1CC=CCC1 306235175 345128054 /nfs/dbraw/zinc/12/80/54/345128054.db2.gz DKVUTZCKXBTILT-IUCAKERBSA-N 0 0 180.251 1.366 10 0 ADAERN CC1(C)OCC[C@]1(O)Cc1ccoc1 306234855 345128070 /nfs/dbraw/zinc/12/80/70/345128070.db2.gz NJAGKDWCFNHJAV-NSHDSACASA-N 0 0 196.246 1.752 10 0 ADAERN CNC(=O)c1c(C(F)F)n[nH]c1C 306235188 345128081 /nfs/dbraw/zinc/12/80/81/345128081.db2.gz DMPIDVQAIUDSRU-UHFFFAOYSA-N 0 0 189.165 1.015 10 0 ADAERN C[C@H]1C[C@@H]1c1coc(N)n1 306235230 345128143 /nfs/dbraw/zinc/12/81/43/345128143.db2.gz DQHGKXNWJSGNPT-WHFBIAKZSA-N 0 0 138.170 1.380 10 0 ADAERN CCCC(=O)N1CC[C@H](C)[C@H](F)C1 306234916 345128159 /nfs/dbraw/zinc/12/81/59/345128159.db2.gz NOCCNIJOMULMNE-DTWKUNHWSA-N 0 0 187.258 1.993 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N1CC=CCC1 306235176 345128180 /nfs/dbraw/zinc/12/81/80/345128180.db2.gz DKVUTZCKXBTILT-RKDXNWHRSA-N 0 0 180.251 1.366 10 0 ADAERN COC1([C@H]2CNC(=O)C2)CCCCC1 306235331 345128197 /nfs/dbraw/zinc/12/81/97/345128197.db2.gz GHJJTSFQNDHDGY-SECBINFHSA-N 0 0 197.278 1.472 10 0 ADAERN CCCC(=O)N1CC[C@@H](C)[C@@H](F)C1 306234915 345128229 /nfs/dbraw/zinc/12/82/29/345128229.db2.gz NOCCNIJOMULMNE-BDAKNGLRSA-N 0 0 187.258 1.993 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)N1CC=CCC1 306235173 345128232 /nfs/dbraw/zinc/12/82/32/345128232.db2.gz DKVUTZCKXBTILT-DTWKUNHWSA-N 0 0 180.251 1.366 10 0 ADAERN C[C@H]1C[C@H]1c1coc(N)n1 306235227 345128247 /nfs/dbraw/zinc/12/82/47/345128247.db2.gz DQHGKXNWJSGNPT-CRCLSJGQSA-N 0 0 138.170 1.380 10 0 ADAERN CC1(C)OCC[C@H]1Nc1cnns1 306235463 345128656 /nfs/dbraw/zinc/12/86/56/345128656.db2.gz KKNOCOXTERNMIY-ZCFIWIBFSA-N 0 0 199.279 1.518 10 0 ADAERN CC1(C)OCC[C@@H]1Nc1cnns1 306235462 345128658 /nfs/dbraw/zinc/12/86/58/345128658.db2.gz KKNOCOXTERNMIY-LURJTMIESA-N 0 0 199.279 1.518 10 0 ADAERN C[C@](O)(CN1CCCCC1=O)C1CC1 306235643 345128861 /nfs/dbraw/zinc/12/88/61/345128861.db2.gz GWCKOJYIMWIQLY-NSHDSACASA-N 0 0 197.278 1.160 10 0 ADAERN CNC(=S)NC(C)(C)C(C)(C)C 306236048 345129161 /nfs/dbraw/zinc/12/91/61/345129161.db2.gz NTGWFDIDYBSDFE-UHFFFAOYSA-N 0 0 188.340 1.905 10 0 ADAERN CC[C@]1([C@@H]2C[C@@H]2C)CNC(=O)C1 306236378 345129168 /nfs/dbraw/zinc/12/91/68/345129168.db2.gz KWSLNPBOWVYLDF-QXFUBDJGSA-N 0 0 167.252 1.559 10 0 ADAERN Cc1ccc(CNc2cc[nH]n2)o1 306235951 345129205 /nfs/dbraw/zinc/12/92/05/345129205.db2.gz DZJLBHGGOIDUDM-UHFFFAOYSA-N 0 0 177.207 1.923 10 0 ADAERN CC[C@]1([C@@H]2C[C@H]2C)CNC(=O)C1 306236373 345129248 /nfs/dbraw/zinc/12/92/48/345129248.db2.gz KWSLNPBOWVYLDF-NQMVMOMDSA-N 0 0 167.252 1.559 10 0 ADAERN Cc1ccc(CNC#N)nc1C 306236155 345129412 /nfs/dbraw/zinc/12/94/12/345129412.db2.gz GRGDOFKXEIIOOS-UHFFFAOYSA-N 0 0 161.208 1.269 10 0 ADAERN c1cnnc(N2CCC[C@@H]3C[C@@H]32)c1 306236043 345129499 /nfs/dbraw/zinc/12/94/99/345129499.db2.gz NSXPFMVWPDMZLC-BDAKNGLRSA-N 0 0 175.235 1.465 10 0 ADAERN CC[C@]1([C@H]2C[C@H]2C)CNC(=O)C1 306236371 345129527 /nfs/dbraw/zinc/12/95/27/345129527.db2.gz KWSLNPBOWVYLDF-KHQFGBGNSA-N 0 0 167.252 1.559 10 0 ADAERN CC(C)[C@@H](C)N1CCS(=O)CC1 306237120 345129798 /nfs/dbraw/zinc/12/97/98/345129798.db2.gz FMKKWOHUVWITAG-SECBINFHSA-N 0 0 189.324 1.095 10 0 ADAERN Cc1nnc(-c2sccc2F)[nH]1 306236732 345129818 /nfs/dbraw/zinc/12/98/18/345129818.db2.gz OYPVSCPJPIXQSV-UHFFFAOYSA-N 0 0 183.211 1.981 10 0 ADAERN CCc1nnc(-c2c[nH]c(C)n2)o1 306237225 345129848 /nfs/dbraw/zinc/12/98/48/345129848.db2.gz FTVMWHNDNVZYNW-UHFFFAOYSA-N 0 0 178.195 1.331 10 0 ADAERN Cc1ncc([C@H]2CCC(=O)C2)n1C 306237132 345129899 /nfs/dbraw/zinc/12/98/99/345129899.db2.gz HQQTZJLVWOPQHT-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN NC(=O)N1CCC12CCCCC2 306237186 345129904 /nfs/dbraw/zinc/12/99/04/345129904.db2.gz FRXUJLLSLDJXTR-UHFFFAOYSA-N 0 0 168.240 1.474 10 0 ADAERN CC(C)[C@H](C)N1CCS(=O)CC1 306237121 345129954 /nfs/dbraw/zinc/12/99/54/345129954.db2.gz FMKKWOHUVWITAG-VIFPVBQESA-N 0 0 189.324 1.095 10 0 ADAERN CN(C)c1cncc(NCC2CC2)n1 306236828 345130024 /nfs/dbraw/zinc/13/00/24/345130024.db2.gz PNTPXNVIRNSPEX-UHFFFAOYSA-N 0 0 192.266 1.365 10 0 ADAERN Cc1cc(N[C@H](C)[C@H](C)O)nnc1C 306237612 345130302 /nfs/dbraw/zinc/13/03/02/345130302.db2.gz IIBPXMDYTRGQSY-BDAKNGLRSA-N 0 0 195.266 1.275 10 0 ADAERN Cc1cc(N[C@H](C)[C@@H](C)O)nnc1C 306237634 345130315 /nfs/dbraw/zinc/13/03/15/345130315.db2.gz IIBPXMDYTRGQSY-RKDXNWHRSA-N 0 0 195.266 1.275 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H]([NH3+])c1cscn1 306237719 345130474 /nfs/dbraw/zinc/13/04/74/345130474.db2.gz ONPVFEPENBJVCL-ATRFCDNQSA-N 0 0 168.265 1.799 10 0 ADAERN Cc1cc(N[C@@H](C)[C@H](C)O)nnc1C 306237627 345130544 /nfs/dbraw/zinc/13/05/44/345130544.db2.gz IIBPXMDYTRGQSY-IUCAKERBSA-N 0 0 195.266 1.275 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1cscn1 306237722 345130554 /nfs/dbraw/zinc/13/05/54/345130554.db2.gz ONPVFEPENBJVCL-GKROBHDKSA-N 0 0 168.265 1.799 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]([NH3+])c1cscn1 306237721 345130567 /nfs/dbraw/zinc/13/05/67/345130567.db2.gz ONPVFEPENBJVCL-CHKWXVPMSA-N 0 0 168.265 1.799 10 0 ADAERN Cc1cc(N[C@@H](C)[C@@H](C)O)nnc1C 306237620 345130634 /nfs/dbraw/zinc/13/06/34/345130634.db2.gz IIBPXMDYTRGQSY-DTWKUNHWSA-N 0 0 195.266 1.275 10 0 ADAERN C[C@@H](CC(F)(F)F)N1CC(F)C1 306238322 345130783 /nfs/dbraw/zinc/13/07/83/345130783.db2.gz IPPYAJHZENDYDR-YFKPBYRVSA-N 0 0 185.164 1.981 10 0 ADAERN CC1(C)COC[C@@H]1N1CCC(=O)CC1 306237916 345130789 /nfs/dbraw/zinc/13/07/89/345130789.db2.gz PFPSKARPFXKIGL-JTQLQIEISA-N 0 0 197.278 1.076 10 0 ADAERN CC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 306237984 345130824 /nfs/dbraw/zinc/13/08/24/345130824.db2.gz PGYUIEIQCMHRGN-DTLFHODZSA-N 0 0 142.198 1.389 10 0 ADAERN CC[C@H]1C[N@@H+](C2CC(C)C2)CCO1 306238050 345130923 /nfs/dbraw/zinc/13/09/23/345130923.db2.gz PKDDGRFOFASOQH-ILDUYXDCSA-N 0 0 183.295 1.896 10 0 ADAERN CC1(C)COC[C@H]1N1CCC(=O)CC1 306237917 345130977 /nfs/dbraw/zinc/13/09/77/345130977.db2.gz PFPSKARPFXKIGL-SNVBAGLBSA-N 0 0 197.278 1.076 10 0 ADAERN CC[C@@H]1C[N@@H+](C2CC(C)C2)CCO1 306238051 345130999 /nfs/dbraw/zinc/13/09/99/345130999.db2.gz PKDDGRFOFASOQH-VQXHTEKXSA-N 0 0 183.295 1.896 10 0 ADAERN CSc1nc2onc(C)c2c(=O)[nH]1 306237755 345131046 /nfs/dbraw/zinc/13/10/46/345131046.db2.gz INRGRVCLTOCVFR-UHFFFAOYSA-N 0 0 197.219 1.354 10 0 ADAERN O=C(OC1CCC1)c1cncnc1 306238138 345131092 /nfs/dbraw/zinc/13/10/92/345131092.db2.gz QYIOLSPIWLNWLS-UHFFFAOYSA-N 0 0 178.191 1.186 10 0 ADAERN C[C@H](CC(F)(F)F)N1CC(F)C1 306238321 345131235 /nfs/dbraw/zinc/13/12/35/345131235.db2.gz IPPYAJHZENDYDR-RXMQYKEDSA-N 0 0 185.164 1.981 10 0 ADAERN CC(=O)[C@@H]1C[C@H](C)O[C@H]1C 306237985 345131252 /nfs/dbraw/zinc/13/12/52/345131252.db2.gz PGYUIEIQCMHRGN-GEVIPFJHSA-N 0 0 142.198 1.389 10 0 ADAERN CN(C)C1C[NH+](CC2CCCC2)C1 306238942 345131588 /nfs/dbraw/zinc/13/15/88/345131588.db2.gz RPCUISYDFZKYNN-UHFFFAOYSA-N 0 0 182.311 1.422 10 0 ADAERN Cc1noc(N[C@H]2CCOC2(C)C)n1 306239083 345132015 /nfs/dbraw/zinc/13/20/15/345132015.db2.gz PWYUQFNIGCZUPC-ZETCQYMHSA-N 0 0 197.238 1.357 10 0 ADAERN Cc1noc(N[C@@H]2CCOC2(C)C)n1 306239073 345132207 /nfs/dbraw/zinc/13/22/07/345132207.db2.gz PWYUQFNIGCZUPC-SSDOTTSWSA-N 0 0 197.238 1.357 10 0 ADAERN OC[C@]1(F)CCCN(CC(F)F)C1 306239607 345132259 /nfs/dbraw/zinc/13/22/59/345132259.db2.gz RWHULTMPNJWUKL-QMMMGPOBSA-N 0 0 197.200 1.048 10 0 ADAERN OC[C@@]1(F)CCCN(CC(F)F)C1 306239606 345132282 /nfs/dbraw/zinc/13/22/82/345132282.db2.gz RWHULTMPNJWUKL-MRVPVSSYSA-N 0 0 197.200 1.048 10 0 ADAERN CC[C@@]1(C)N(C)CC(=O)N1C1CC1 306240619 345133192 /nfs/dbraw/zinc/13/31/92/345133192.db2.gz KSTTXBHMXDRFGL-JTQLQIEISA-N 0 0 182.267 1.049 10 0 ADAERN CC1(C)OCC[C@H]1n1nccc1N 306240774 345133043 /nfs/dbraw/zinc/13/30/43/345133043.db2.gz QZWNOQFIIVSYEU-SSDOTTSWSA-N 0 0 181.239 1.205 10 0 ADAERN CC[C@]1(C)N(C)CC(=O)N1C1CC1 306240620 345133091 /nfs/dbraw/zinc/13/30/91/345133091.db2.gz KSTTXBHMXDRFGL-SNVBAGLBSA-N 0 0 182.267 1.049 10 0 ADAERN C[C@H]1CCC(=O)N1CC(=O)C(C)(C)C 306240562 345133094 /nfs/dbraw/zinc/13/30/94/345133094.db2.gz KKMDRNSNLAPBOU-QMMMGPOBSA-N 0 0 197.278 1.613 10 0 ADAERN CC1(C)OCC[C@@H]1n1nccc1N 306240784 345133101 /nfs/dbraw/zinc/13/31/01/345133101.db2.gz QZWNOQFIIVSYEU-ZETCQYMHSA-N 0 0 181.239 1.205 10 0 ADAERN FCCNc1ncncc1Cl 306240457 345133113 /nfs/dbraw/zinc/13/31/13/345133113.db2.gz RPQJKBOPIUIRHK-UHFFFAOYSA-N 0 0 175.594 1.511 10 0 ADAERN C[C@@H]1CCC(=O)N1CC(=O)C(C)(C)C 306240561 345133123 /nfs/dbraw/zinc/13/31/23/345133123.db2.gz KKMDRNSNLAPBOU-MRVPVSSYSA-N 0 0 197.278 1.613 10 0 ADAERN Cc1nn(C)c(C)c1OCC1CC1 306240572 345133142 /nfs/dbraw/zinc/13/31/42/345133142.db2.gz KNFGVRXPUSDQQF-UHFFFAOYSA-N 0 0 180.251 1.826 10 0 ADAERN CC1(C)COC[C@@]1(O)CCC1CC1 306240652 345133184 /nfs/dbraw/zinc/13/31/84/345133184.db2.gz QUBBDELALUROBZ-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN CC1(C)COC[C@]1(O)CCC1CC1 306240649 345133264 /nfs/dbraw/zinc/13/32/64/345133264.db2.gz QUBBDELALUROBZ-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1cnc(N2CCC[C@H]2CO)s1 306240447 345133436 /nfs/dbraw/zinc/13/34/36/345133436.db2.gz ROCAIUGJDOIGDX-QMMMGPOBSA-N 0 0 198.291 1.413 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)C(=O)C(C)(C)C 306241227 345133548 /nfs/dbraw/zinc/13/35/48/345133548.db2.gz 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345133915 /nfs/dbraw/zinc/13/39/15/345133915.db2.gz USGIKVOZTDKZMA-NKWVEPMBSA-N 0 0 183.251 1.126 10 0 ADAERN S=C(NC1CC1)N[C@@H]1[C@H]2CCC[C@H]21 306242072 345134163 /nfs/dbraw/zinc/13/41/63/345134163.db2.gz VHJTZHBMPOGNDP-BRPSZJMVSA-N 0 0 196.319 1.411 10 0 ADAERN CCC[C@]1(O)COCC1(C)C 306241840 345134169 /nfs/dbraw/zinc/13/41/69/345134169.db2.gz SBWMNGMRFZKGOS-VIFPVBQESA-N 0 0 158.241 1.574 10 0 ADAERN CC1(C)CC[C@@H](C[NH+]2CCC2)C1=O 306241765 345134179 /nfs/dbraw/zinc/13/41/79/345134179.db2.gz MTNYUMRKTAWSBU-VIFPVBQESA-N 0 0 181.279 1.697 10 0 ADAERN O=C(c1ccsn1)C(F)(F)F 306242013 345134242 /nfs/dbraw/zinc/13/42/42/345134242.db2.gz IISHPFVNCORXQA-UHFFFAOYSA-N 0 0 181.138 1.888 10 0 ADAERN COc1cc([C@H](O)C2CC2)c(F)cn1 306241672 345134258 /nfs/dbraw/zinc/13/42/58/345134258.db2.gz LMCNPHPTHCZUDX-SNVBAGLBSA-N 0 0 197.209 1.673 10 0 ADAERN COc1cc([C@@H](O)C2CC2)c(F)cn1 306241670 345134265 /nfs/dbraw/zinc/13/42/65/345134265.db2.gz LMCNPHPTHCZUDX-JTQLQIEISA-N 0 0 197.209 1.673 10 0 ADAERN CC1(C)OCc2scc(C[NH3+])c21 306241827 345134279 /nfs/dbraw/zinc/13/42/79/345134279.db2.gz RZNZEWYVJVWFFJ-UHFFFAOYSA-N 0 0 183.276 1.972 10 0 ADAERN CC(C)Oc1cc(C(C)(C)[NH3+])ncn1 306241875 345134293 /nfs/dbraw/zinc/13/42/93/345134293.db2.gz SINPLXDWTIKSQR-UHFFFAOYSA-N 0 0 195.266 1.458 10 0 ADAERN CC1(C)CC[C@H](C[NH+]2CCC2)C1=O 306241764 345134339 /nfs/dbraw/zinc/13/43/39/345134339.db2.gz MTNYUMRKTAWSBU-SECBINFHSA-N 0 0 181.279 1.697 10 0 ADAERN CCC[C@@]1(O)COCC1(C)C 306241839 345134344 /nfs/dbraw/zinc/13/43/44/345134344.db2.gz SBWMNGMRFZKGOS-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN O=C1CCC(Cn2ccnc2)CC1 306241689 345134374 /nfs/dbraw/zinc/13/43/74/345134374.db2.gz LNOJNVNIXKEULU-UHFFFAOYSA-N 0 0 178.235 1.642 10 0 ADAERN CCOc1ncnc(N(C)C)c1C 306242605 345134751 /nfs/dbraw/zinc/13/47/51/345134751.db2.gz NJHRYVMMXOYPRH-UHFFFAOYSA-N 0 0 181.239 1.250 10 0 ADAERN CCC(=O)N1CCO[C@H](C2CC2)C1 306243123 345134768 /nfs/dbraw/zinc/13/47/68/345134768.db2.gz AKWOQIAOAPJGAM-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN Cc1c(Cl)ncnc1NCCF 306242915 345134786 /nfs/dbraw/zinc/13/47/86/345134786.db2.gz AYJYKDRSNRTTRY-UHFFFAOYSA-N 0 0 189.621 1.820 10 0 ADAERN Cc1ccoc1CNC1=[NH+]CCS1 306242489 345134818 /nfs/dbraw/zinc/13/48/18/345134818.db2.gz MXKLPNMVJXSLGI-UHFFFAOYSA-N 0 0 196.275 1.780 10 0 ADAERN CCNC(=O)NCc1oc(C)nc1C 306242582 345134860 /nfs/dbraw/zinc/13/48/60/345134860.db2.gz NILNBAQUBVCAPN-UHFFFAOYSA-N 0 0 197.238 1.111 10 0 ADAERN CNC(=O)C(C)(C)Nc1nccs1 306242773 345134953 /nfs/dbraw/zinc/13/49/53/345134953.db2.gz SRPGOMYCQDDORL-UHFFFAOYSA-N 0 0 199.279 1.080 10 0 ADAERN CC1(C)CCN(CC[C@@H]2CO2)C(=O)C1 306242678 345135049 /nfs/dbraw/zinc/13/50/49/345135049.db2.gz NOPCECCLLMJPTQ-SECBINFHSA-N 0 0 197.278 1.424 10 0 ADAERN CC1(C)CCN(CC[C@H]2CO2)C(=O)C1 306242680 345135102 /nfs/dbraw/zinc/13/51/02/345135102.db2.gz NOPCECCLLMJPTQ-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN N#CNc1cccnc1Cl 306243272 345135289 /nfs/dbraw/zinc/13/52/89/345135289.db2.gz UAAPBMSVWFMFSK-UHFFFAOYSA-N 0 0 153.572 1.628 10 0 ADAERN Cc1ccoc1C(=O)N[C@@H]1C[C@H]1C 306243701 345135373 /nfs/dbraw/zinc/13/53/73/345135373.db2.gz TUARDLPGLTVNSP-HTQZYQBOSA-N 0 0 179.219 1.726 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]2C[C@@H]21 306243541 345135415 /nfs/dbraw/zinc/13/54/15/345135415.db2.gz SWPCFPNDAIEHEY-KYXWUPHJSA-N 0 0 179.263 1.653 10 0 ADAERN CONC(=O)c1scnc1C1CC1 306243543 345135635 /nfs/dbraw/zinc/13/56/35/345135635.db2.gz SWUBIZOJZLXPDE-UHFFFAOYSA-N 0 0 198.247 1.312 10 0 ADAERN Cc1noc(C)c1N[C@@H]1CCO[C@H]1C 306243168 345135426 /nfs/dbraw/zinc/13/54/26/345135426.db2.gz WIAFACNKEDSHMX-IONNQARKSA-N 0 0 196.250 1.881 10 0 ADAERN Cc1noc(C)c1N[C@H]1CCO[C@@H]1C 306243166 345135528 /nfs/dbraw/zinc/13/55/28/345135528.db2.gz WIAFACNKEDSHMX-APPZFPTMSA-N 0 0 196.250 1.881 10 0 ADAERN O=C(NC1CC1)N[C@@H]1CC[C@@H]2C[C@@H]21 306243213 345135550 /nfs/dbraw/zinc/13/55/50/345135550.db2.gz WWCVHHKARGDEAW-BWVDBABLSA-N 0 0 180.251 1.247 10 0 ADAERN O=C(NC1CC1)N[C@@H]1CC[C@H]2C[C@H]21 306243216 345135580 /nfs/dbraw/zinc/13/55/80/345135580.db2.gz WWCVHHKARGDEAW-NBEYISGCSA-N 0 0 180.251 1.247 10 0 ADAERN O=C(Nc1cn[nH]c1)C1(F)CCC1 306243702 345135616 /nfs/dbraw/zinc/13/56/16/345135616.db2.gz MIRIEFVFXZNSDI-UHFFFAOYSA-N 0 0 183.186 1.240 10 0 ADAERN CC(F)(F)CC(=O)N1CCCO1 306243156 345135619 /nfs/dbraw/zinc/13/56/19/345135619.db2.gz WFPVGVCFJNVGQE-UHFFFAOYSA-N 0 0 179.166 1.196 10 0 ADAERN Cc1noc(C)c1N[C@@H]1CCO[C@@H]1C 306243169 345135621 /nfs/dbraw/zinc/13/56/21/345135621.db2.gz WIAFACNKEDSHMX-VXNVDRBHSA-N 0 0 196.250 1.881 10 0 ADAERN NNCCc1sccc1Cl 306243417 345135622 /nfs/dbraw/zinc/13/56/22/345135622.db2.gz OKLWXZNOAGUXAY-UHFFFAOYSA-N 0 0 176.672 1.407 10 0 ADAERN Cc1noc(C)c1N[C@H]1CCO[C@H]1C 306243167 345135633 /nfs/dbraw/zinc/13/56/33/345135633.db2.gz WIAFACNKEDSHMX-CBAPKCEASA-N 0 0 196.250 1.881 10 0 ADAERN CC[C@@H](C)NC(=O)[C@@H]1CCC1(F)F 306244247 345135859 /nfs/dbraw/zinc/13/58/59/345135859.db2.gz XHZKYYKROGAVSI-RQJHMYQMSA-N 0 0 191.221 1.946 10 0 ADAERN CC[C@@H](C)NC(=O)[C@H]1CCC1(F)F 306244246 345135876 /nfs/dbraw/zinc/13/58/76/345135876.db2.gz XHZKYYKROGAVSI-RNFRBKRXSA-N 0 0 191.221 1.946 10 0 ADAERN CC(C)(CO)N1CCC(F)(F)C1 306244362 345135880 /nfs/dbraw/zinc/13/58/80/345135880.db2.gz UHWUBVBYMOUILX-UHFFFAOYSA-N 0 0 179.210 1.098 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1CCC1(F)F 306244244 345135899 /nfs/dbraw/zinc/13/58/99/345135899.db2.gz XHZKYYKROGAVSI-BQBZGAKWSA-N 0 0 191.221 1.946 10 0 ADAERN COC(=O)c1cnc2cc[nH]c2c1 306244227 345135918 /nfs/dbraw/zinc/13/59/18/345135918.db2.gz XCKMILVWAUHBJL-UHFFFAOYSA-N 0 0 176.175 1.301 10 0 ADAERN CC[C@H](C)NC(=O)[C@H]1CCC1(F)F 306244245 345135927 /nfs/dbraw/zinc/13/59/27/345135927.db2.gz XHZKYYKROGAVSI-NKWVEPMBSA-N 0 0 191.221 1.946 10 0 ADAERN NOc1ccccc1OC(F)(F)F 306244277 345135958 /nfs/dbraw/zinc/13/59/58/345135958.db2.gz XPHUZBZLKKYVNV-UHFFFAOYSA-N 0 0 193.124 1.838 10 0 ADAERN COC(=N)c1ccc(C)c(C)n1 306244177 345135991 /nfs/dbraw/zinc/13/59/91/345135991.db2.gz PKBIFKCGXVTNJV-UHFFFAOYSA-N 0 0 164.208 1.670 10 0 ADAERN O=C(Nc1ncco1)NC1CCC1 306244311 345136103 /nfs/dbraw/zinc/13/61/03/345136103.db2.gz YAJRPCLDDCYQNO-UHFFFAOYSA-N 0 0 181.195 1.349 10 0 ADAERN Nc1ncccc1N1CCC(F)(F)C1 306244333 345136204 /nfs/dbraw/zinc/13/62/04/345136204.db2.gz UEUARIMECAIULE-UHFFFAOYSA-N 0 0 199.204 1.509 10 0 ADAERN C[C@H](O)C[C@]1(C)CCC[C@@]1(C)O 306244396 345136390 /nfs/dbraw/zinc/13/63/90/345136390.db2.gz ULDWSNYPLBDLPS-LPEHRKFASA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H](O)C[C@@]1(C)CCC[C@@]1(C)O 306244395 345136536 /nfs/dbraw/zinc/13/65/36/345136536.db2.gz ULDWSNYPLBDLPS-IVZWLZJFSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H](O)C[C@]1(C)CCC[C@]1(C)O 306244394 345136585 /nfs/dbraw/zinc/13/65/85/345136585.db2.gz ULDWSNYPLBDLPS-GUBZILKMSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H](O)C[C@@]1(C)CCC[C@]1(C)O 306244393 345136602 /nfs/dbraw/zinc/13/66/02/345136602.db2.gz ULDWSNYPLBDLPS-AEJSXWLSSA-N 0 0 172.268 1.699 10 0 ADAERN c1cc(NC2COCCOC2)cs1 306244441 345136671 /nfs/dbraw/zinc/13/66/71/345136671.db2.gz AWFDATKBBUJLTB-UHFFFAOYSA-N 0 0 199.275 1.575 10 0 ADAERN CC(C)(O)CC[NH+]1CC(C)(C)C1 306245069 345136923 /nfs/dbraw/zinc/13/69/23/345136923.db2.gz YMLQXBSKRZPQCR-UHFFFAOYSA-N 0 0 171.284 1.489 10 0 ADAERN Cc1ccnc([C@]2([NH3+])CCCOC2)c1 306245065 345136940 /nfs/dbraw/zinc/13/69/40/345136940.db2.gz UTVWAXFQIZYHOL-NSHDSACASA-N 0 0 192.262 1.354 10 0 ADAERN C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]2C)O1 306245205 345137007 /nfs/dbraw/zinc/13/70/07/345137007.db2.gz VZWBOIFOXHNRAF-BZNPZCIMSA-N 0 0 183.251 1.079 10 0 ADAERN N#CNCc1ccsc1Cl 306245272 345137023 /nfs/dbraw/zinc/13/70/23/345137023.db2.gz UYYWKIKMOHFDPW-UHFFFAOYSA-N 0 0 172.640 1.972 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]2C)O1 306245207 345137032 /nfs/dbraw/zinc/13/70/32/345137032.db2.gz VZWBOIFOXHNRAF-XAVMHZPKSA-N 0 0 183.251 1.079 10 0 ADAERN Cc1ccnc([C@@]2([NH3+])CCCOC2)c1 306245063 345137035 /nfs/dbraw/zinc/13/70/35/345137035.db2.gz UTVWAXFQIZYHOL-LLVKDONJSA-N 0 0 192.262 1.354 10 0 ADAERN O=C(NC1CC1)C1C=CC=CC=C1 306245319 345137132 /nfs/dbraw/zinc/13/71/32/345137132.db2.gz NNDGPWKGIYLELP-UHFFFAOYSA-N 0 0 175.231 1.563 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]2C)O1 306245204 345137199 /nfs/dbraw/zinc/13/71/99/345137199.db2.gz VZWBOIFOXHNRAF-BGZDPUMWSA-N 0 0 183.251 1.079 10 0 ADAERN FC1CN(Cc2ccc[nH]2)C1 306245791 345137503 /nfs/dbraw/zinc/13/75/03/345137503.db2.gz ZCHVHIMRMMGIPG-UHFFFAOYSA-N 0 0 154.188 1.168 10 0 ADAERN OC1CC(Oc2cncc(F)c2)C1 306245501 345137510 /nfs/dbraw/zinc/13/75/10/345137510.db2.gz QLIYDKRBHDIOPC-UHFFFAOYSA-N 0 0 183.182 1.123 10 0 ADAERN CC1(C)COC[C@@]1(O)c1ccccc1 306245906 345137556 /nfs/dbraw/zinc/13/75/56/345137556.db2.gz VFDJYWZYJGZSHQ-GFCCVEGCSA-N 0 0 192.258 1.931 10 0 ADAERN CCCN(C)c1cc(C)c(C)nn1 306245924 345137571 /nfs/dbraw/zinc/13/75/71/345137571.db2.gz VGQSWSMICSWPQG-UHFFFAOYSA-N 0 0 179.267 1.940 10 0 ADAERN ONc1ccnc(C(F)(F)F)c1 306245874 345137634 /nfs/dbraw/zinc/13/76/34/345137634.db2.gz ZSTYJJDLGBWXQB-UHFFFAOYSA-N 0 0 178.113 1.902 10 0 ADAERN CC1(C)COC[C@]1(O)c1ccccc1 306245912 345137651 /nfs/dbraw/zinc/13/76/51/345137651.db2.gz VFDJYWZYJGZSHQ-LBPRGKRZSA-N 0 0 192.258 1.931 10 0 ADAERN Nc1cccnc1N1CCC(F)(F)C1 306245922 345137677 /nfs/dbraw/zinc/13/76/77/345137677.db2.gz VGHGTTLFKDWHIK-UHFFFAOYSA-N 0 0 199.204 1.509 10 0 ADAERN C[C@H](NC(=O)C1CCC1)C1CC1 306246004 345137695 /nfs/dbraw/zinc/13/76/95/345137695.db2.gz AOTSIQXNYSVPGI-ZETCQYMHSA-N 0 0 167.252 1.701 10 0 ADAERN CCN1CC(Nc2nccs2)C1 306245699 345137697 /nfs/dbraw/zinc/13/76/97/345137697.db2.gz WDVSVILSRVASCA-UHFFFAOYSA-N 0 0 183.280 1.259 10 0 ADAERN O=C(c1ccc[nH]1)[C@@H]1CSCCO1 306246396 345138076 /nfs/dbraw/zinc/13/80/76/345138076.db2.gz ROGUZQLPZSQDTB-QMMMGPOBSA-N 0 0 197.259 1.329 10 0 ADAERN CSCC(=O)Nc1cc(C)ncn1 306246428 345138232 /nfs/dbraw/zinc/13/82/32/345138232.db2.gz WSYSNTLBORYTTM-UHFFFAOYSA-N 0 0 197.263 1.087 10 0 ADAERN Cc1coc(NCC2(O)CCC2)n1 306246213 345138235 /nfs/dbraw/zinc/13/82/35/345138235.db2.gz NVSPHZHWWRRVQY-UHFFFAOYSA-N 0 0 182.223 1.310 10 0 ADAERN O=C(c1ccc[nH]1)[C@H]1CSCCO1 306246395 345138265 /nfs/dbraw/zinc/13/82/65/345138265.db2.gz ROGUZQLPZSQDTB-MRVPVSSYSA-N 0 0 197.259 1.329 10 0 ADAERN Cc1cc(NCCO)c(C)cc1F 306246888 345138885 /nfs/dbraw/zinc/13/88/85/345138885.db2.gz OLXKITFQGFZOBP-UHFFFAOYSA-N 0 0 183.226 1.847 10 0 ADAERN c1ccc(NCCC2OCCO2)cc1 306246699 345138956 /nfs/dbraw/zinc/13/89/56/345138956.db2.gz DYECZPOCUOXKCD-UHFFFAOYSA-N 0 0 193.246 1.862 10 0 ADAERN OC1(c2ccc[nH]2)CCC1 306247149 345138959 /nfs/dbraw/zinc/13/89/59/345138959.db2.gz SDTNGRUZZSBPQP-UHFFFAOYSA-N 0 0 137.182 1.386 10 0 ADAERN O=C(Nc1ccccn1)N1CCC1 306247523 345139037 /nfs/dbraw/zinc/13/90/37/345139037.db2.gz PEOZFAYTIKMVLA-UHFFFAOYSA-N 0 0 177.207 1.319 10 0 ADAERN COC1([C@H]2COC(=O)N2)CCCC1 306247637 345139156 /nfs/dbraw/zinc/13/91/56/345139156.db2.gz FSDPZNHWBWFZAR-SSDOTTSWSA-N 0 0 185.223 1.054 10 0 ADAERN CN[C@]1(C(F)(F)F)CCOC1(C)C 306247316 345139187 /nfs/dbraw/zinc/13/91/87/345139187.db2.gz WCJAFXSPHQFYDU-SSDOTTSWSA-N 0 0 197.200 1.706 10 0 ADAERN CN[C@@]1(C(F)(F)F)CCOC1(C)C 306247694 345139436 /nfs/dbraw/zinc/13/94/36/345139436.db2.gz WCJAFXSPHQFYDU-ZETCQYMHSA-N 0 0 197.200 1.706 10 0 ADAERN COC1([C@@H]2COC(=O)N2)CCCC1 306247638 345139477 /nfs/dbraw/zinc/13/94/77/345139477.db2.gz FSDPZNHWBWFZAR-ZETCQYMHSA-N 0 0 185.223 1.054 10 0 ADAERN Nc1ccnn1[C@@H]1CCC[C@@H]2C[C@@H]21 306247903 345139803 /nfs/dbraw/zinc/13/98/03/345139803.db2.gz XUAQHOXYMPXHLY-HRDYMLBCSA-N 0 0 177.251 1.826 10 0 ADAERN CCCc1nnc(-c2csnn2)o1 306248115 345139853 /nfs/dbraw/zinc/13/98/53/345139853.db2.gz WZPAZACKGGEILX-UHFFFAOYSA-N 0 0 196.235 1.541 10 0 ADAERN Nc1ccnn1[C@@H]1CCC[C@H]2C[C@H]21 306247901 345139967 /nfs/dbraw/zinc/13/99/67/345139967.db2.gz XUAQHOXYMPXHLY-DJLDLDEBSA-N 0 0 177.251 1.826 10 0 ADAERN CC(C)(C)C[C@@H]1CCN(C=O)C1 306248468 345140221 /nfs/dbraw/zinc/14/02/21/345140221.db2.gz URLOREWVVPFWPL-VIFPVBQESA-N 0 0 169.268 1.901 10 0 ADAERN CC(=O)[C@@H](C)N1CC(C)(C)C1 306248358 345140242 /nfs/dbraw/zinc/14/02/42/345140242.db2.gz YQHVMDQQTKUHNN-SSDOTTSWSA-N 0 0 155.241 1.306 10 0 ADAERN Cc1cc(-c2cc[nH]n2)cnn1 306248336 345140258 /nfs/dbraw/zinc/14/02/58/345140258.db2.gz YMHPYNBWWVYCRL-UHFFFAOYSA-N 0 0 160.180 1.175 10 0 ADAERN Cc1cc(N[C@@H]2C[C@H]2C)nc(CO)n1 306248697 345140315 /nfs/dbraw/zinc/14/03/15/345140315.db2.gz XSFABZUVMPIDOM-HTRCEHHLSA-N 0 0 193.250 1.098 10 0 ADAERN Nc1ccc(NCCCF)cc1N 306248496 345140394 /nfs/dbraw/zinc/14/03/94/345140394.db2.gz UWSVOJYYCCNXBT-UHFFFAOYSA-N 0 0 183.230 1.623 10 0 ADAERN CC(=O)[C@H](C)N1CC(C)(C)C1 306248359 345140413 /nfs/dbraw/zinc/14/04/13/345140413.db2.gz YQHVMDQQTKUHNN-ZETCQYMHSA-N 0 0 155.241 1.306 10 0 ADAERN CCN(C(C)=O)c1cnccc1C 306248649 345140430 /nfs/dbraw/zinc/14/04/30/345140430.db2.gz XOEXHFRGIQTFPT-UHFFFAOYSA-N 0 0 178.235 1.763 10 0 ADAERN CC(C)(C)C[C@H]1CCN(C=O)C1 306248467 345140541 /nfs/dbraw/zinc/14/05/41/345140541.db2.gz URLOREWVVPFWPL-SECBINFHSA-N 0 0 169.268 1.901 10 0 ADAERN Cc1cc(N(C)CC(=O)[O-])cc(C)[nH+]1 306249347 345140785 /nfs/dbraw/zinc/14/07/85/345140785.db2.gz VXJCVIGCCNRUKW-UHFFFAOYSA-N 0 0 194.234 1.219 10 0 ADAERN Cn1ccc(N[C@H]2CC[C@@H]3C[C@H]23)n1 306249224 345140829 /nfs/dbraw/zinc/14/08/29/345140829.db2.gz ZWJXNMCBBUITQV-VGMNWLOBSA-N 0 0 177.251 1.631 10 0 ADAERN CCc1ncnc(NCCF)c1F 306248978 345140958 /nfs/dbraw/zinc/14/09/58/345140958.db2.gz VNUXFOKUGSILDF-UHFFFAOYSA-N 0 0 187.193 1.560 10 0 ADAERN Cc1c[nH]c(N2CCC(F)(F)C2)n1 306248976 345140965 /nfs/dbraw/zinc/14/09/65/345140965.db2.gz VNLVXSXQSONQOD-UHFFFAOYSA-N 0 0 187.193 1.564 10 0 ADAERN CN(C)C(=O)N[C@@H]1C[C@H]1C1CC1 306249276 345141067 /nfs/dbraw/zinc/14/10/67/345141067.db2.gz XWFOUTXSGRJKOH-JGVFFNPUSA-N 0 0 168.240 1.056 10 0 ADAERN C[C@H](O)C(=O)N1CCCCC[C@@H]1C 306249817 345141323 /nfs/dbraw/zinc/14/13/23/345141323.db2.gz REBQPMOVUPIOBI-IUCAKERBSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@H](O)C(=O)N1CCCCC[C@H]1C 306249816 345141339 /nfs/dbraw/zinc/14/13/39/345141339.db2.gz REBQPMOVUPIOBI-BDAKNGLRSA-N 0 0 185.267 1.158 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1c1nccs1 306249668 345141351 /nfs/dbraw/zinc/14/13/51/345141351.db2.gz OMJYICVGYOEGST-MUWHJKNJSA-N 0 0 196.275 1.730 10 0 ADAERN CC1(C(=O)NC2CCC(O)CC2)CC1 306249833 345141439 /nfs/dbraw/zinc/14/14/39/345141439.db2.gz YETKYCZJVSNSQF-UHFFFAOYSA-N 0 0 197.278 1.206 10 0 ADAERN CCN(C)c1nc(C)cc(OC)n1 306249831 345141482 /nfs/dbraw/zinc/14/14/82/345141482.db2.gz YESJFOWXKWXKAI-UHFFFAOYSA-N 0 0 181.239 1.250 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1c1nccs1 306249663 345141540 /nfs/dbraw/zinc/14/15/40/345141540.db2.gz OMJYICVGYOEGST-HZGVNTEJSA-N 0 0 196.275 1.730 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1c1nccs1 306249667 345141593 /nfs/dbraw/zinc/14/15/93/345141593.db2.gz OMJYICVGYOEGST-IMTBSYHQSA-N 0 0 196.275 1.730 10 0 ADAERN NNc1ccc(Cl)c(CO)c1 306249683 345141614 /nfs/dbraw/zinc/14/16/14/345141614.db2.gz ONOOLAQXYHBWTD-UHFFFAOYSA-N 0 0 172.615 1.118 10 0 in-vitro ADAERN Cc1ncnc(N[C@@H](C)CF)c1F 306249642 345141636 /nfs/dbraw/zinc/14/16/36/345141636.db2.gz DXAAEOOYLXGNDV-YFKPBYRVSA-N 0 0 187.193 1.694 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1c1nccs1 306249670 345141705 /nfs/dbraw/zinc/14/17/05/345141705.db2.gz OMJYICVGYOEGST-RCOVLWMOSA-N 0 0 196.275 1.730 10 0 ADAERN CCC(=O)[C@H]1COCC1(C)C 306250227 345141819 /nfs/dbraw/zinc/14/18/19/345141819.db2.gz YNUUURMDAXNYGW-SSDOTTSWSA-N 0 0 156.225 1.638 10 0 ADAERN CCC(=O)[C@@H]1COCC1(C)C 306250228 345142010 /nfs/dbraw/zinc/14/20/10/345142010.db2.gz YNUUURMDAXNYGW-ZETCQYMHSA-N 0 0 156.225 1.638 10 0 ADAERN CSc1nnc(CN2CCCC2)o1 306250334 345142038 /nfs/dbraw/zinc/14/20/38/345142038.db2.gz RLXSUHPYADQWGI-UHFFFAOYSA-N 0 0 199.279 1.387 10 0 ADAERN NC(=O)c1cnc(Cl)c(C2CC2)c1 306250375 345142078 /nfs/dbraw/zinc/14/20/78/345142078.db2.gz RUJLYWNVVYEAHN-UHFFFAOYSA-N 0 0 196.637 1.711 10 0 ADAERN COc1ncccc1C1(O)CC(C)C1 306250229 345142082 /nfs/dbraw/zinc/14/20/82/345142082.db2.gz YNYSOJVIKSQMOQ-UHFFFAOYSA-N 0 0 193.246 1.708 10 0 ADAERN NC(=O)Oc1cc(N)c(F)cc1F 306249935 345142085 /nfs/dbraw/zinc/14/20/85/345142085.db2.gz WXNAZNZFZIIMNI-UHFFFAOYSA-N 0 0 188.133 1.005 10 0 ADAERN C[C@@H](CF)Nc1ncnc2oncc12 306250343 345142140 /nfs/dbraw/zinc/14/21/40/345142140.db2.gz RNPOFZPBJQKIBR-YFKPBYRVSA-N 0 0 196.185 1.388 10 0 ADAERN C1CC1Nc1noc(C2CC2)n1 306250346 345142142 /nfs/dbraw/zinc/14/21/42/345142142.db2.gz ROAUOTVJGGVXGO-UHFFFAOYSA-N 0 0 165.196 1.521 10 0 ADAERN Nc1cc(=O)[nH]cc1Br 306250923 345142329 /nfs/dbraw/zinc/14/23/29/345142329.db2.gz QDJXGWFAHINCNB-UHFFFAOYSA-N 0 0 189.012 1.132 10 0 ADAERN O=c1ccc(N[C@@H]2CC[C@@H]3C[C@@H]32)c[nH]1 306250617 345142336 /nfs/dbraw/zinc/14/23/36/345142336.db2.gz PUTOKJXAYNDORK-FKTZTGRPSA-N 0 0 190.246 1.998 10 0 ADAERN S=C(NC1CC1)N[C@@H]1CC[C@H]2C[C@H]21 306250850 345142398 /nfs/dbraw/zinc/14/23/98/345142398.db2.gz SSTIMYZSYOZTIJ-NBEYISGCSA-N 0 0 196.319 1.411 10 0 ADAERN Cc1ccc(C2(O)CC2)nc1C 306250625 345142430 /nfs/dbraw/zinc/14/24/30/345142430.db2.gz YEKVSESYUJAZPB-UHFFFAOYSA-N 0 0 163.220 1.680 10 0 ADAERN S=C(NC1CC1)N[C@@H]1CC[C@@H]2C[C@@H]21 306250847 345142475 /nfs/dbraw/zinc/14/24/75/345142475.db2.gz SSTIMYZSYOZTIJ-BWVDBABLSA-N 0 0 196.319 1.411 10 0 ADAERN CCC[C@]1(C)NCC(=O)N1C(C)C 306250747 345142530 /nfs/dbraw/zinc/14/25/30/345142530.db2.gz ZESPCHUNRCGZDL-SNVBAGLBSA-N 0 0 184.283 1.343 10 0 ADAERN O=C(NCCF)N1CCCCC1 306250704 345142578 /nfs/dbraw/zinc/14/25/78/345142578.db2.gz YRXDXUHROFHIIS-UHFFFAOYSA-N 0 0 174.219 1.151 10 0 ADAERN CCC[C@@]1(C)NCC(=O)N1C(C)C 306250746 345142687 /nfs/dbraw/zinc/14/26/87/345142687.db2.gz ZESPCHUNRCGZDL-JTQLQIEISA-N 0 0 184.283 1.343 10 0 ADAERN CC1(C)COC[C@@H]1Nc1ccncn1 306251528 345143111 /nfs/dbraw/zinc/14/31/11/345143111.db2.gz ZZRVOHDVKOQRSU-QMMMGPOBSA-N 0 0 193.250 1.314 10 0 ADAERN CC1(NC(=O)c2occc2N)CC1 306251148 345143215 /nfs/dbraw/zinc/14/32/15/345143215.db2.gz ZNEUUWDRTLTIRY-UHFFFAOYSA-N 0 0 180.207 1.144 10 0 ADAERN CC1(C)COC[C@H]1Nc1ccncn1 306251527 345143236 /nfs/dbraw/zinc/14/32/36/345143236.db2.gz ZZRVOHDVKOQRSU-MRVPVSSYSA-N 0 0 193.250 1.314 10 0 ADAERN O[C@H]1CON(CCC2CCCC2)C1 306251874 345143613 /nfs/dbraw/zinc/14/36/13/345143613.db2.gz LPSCBUVVSCQAJC-SNVBAGLBSA-N 0 0 185.267 1.175 10 0 ADAERN OCCOc1cccc2c1[C@H](O)CC2 306251748 345143637 /nfs/dbraw/zinc/14/36/37/345143637.db2.gz UHULWFKRYBIKNP-SECBINFHSA-N 0 0 194.230 1.037 10 0 ADAERN CC(C)(C)Nc1cc(C[NH3+])ncn1 306251845 345143665 /nfs/dbraw/zinc/14/36/65/345143665.db2.gz RGVATRPOPHJSRV-UHFFFAOYSA-N 0 0 180.255 1.146 10 0 ADAERN CSCC(=O)Nc1c[nH]ccc1=O 306251814 345143711 /nfs/dbraw/zinc/14/37/11/345143711.db2.gz UPWHXTMYECRJSV-UHFFFAOYSA-N 0 0 198.247 1.089 10 0 ADAERN NC(=O)Nc1cccc(N)c1Cl 306252168 345143781 /nfs/dbraw/zinc/14/37/81/345143781.db2.gz GLWJMFXRXKMLTN-UHFFFAOYSA-N 0 0 185.614 1.413 10 0 ADAERN OCCOc1cccc2c1[C@@H](O)CC2 306251749 345143800 /nfs/dbraw/zinc/14/38/00/345143800.db2.gz UHULWFKRYBIKNP-VIFPVBQESA-N 0 0 194.230 1.037 10 0 ADAERN O[C@@H]1CON(CCC2CCCC2)C1 306251872 345143863 /nfs/dbraw/zinc/14/38/63/345143863.db2.gz LPSCBUVVSCQAJC-JTQLQIEISA-N 0 0 185.267 1.175 10 0 ADAERN COc1cncnc1N[C@@H]1CC[C@H]1C 306252479 345144152 /nfs/dbraw/zinc/14/41/52/345144152.db2.gz MKJSKBNUSABKIH-HTQZYQBOSA-N 0 0 193.250 1.696 10 0 ADAERN COc1cncnc1N[C@H]1CC[C@@H]1C 306252482 345144217 /nfs/dbraw/zinc/14/42/17/345144217.db2.gz MKJSKBNUSABKIH-YUMQZZPRSA-N 0 0 193.250 1.696 10 0 ADAERN COc1cncnc1N[C@H]1CC[C@H]1C 306252481 345144263 /nfs/dbraw/zinc/14/42/63/345144263.db2.gz MKJSKBNUSABKIH-SFYZADRCSA-N 0 0 193.250 1.696 10 0 ADAERN Cc1sccc1[C@@H]1NC(=O)N=C1N 306252514 345144284 /nfs/dbraw/zinc/14/42/84/345144284.db2.gz HFGJXAQQDVHNCI-LURJTMIESA-N 0 0 195.247 1.178 10 0 ADAERN COc1cncnc1N[C@@H]1CC[C@@H]1C 306252480 345144307 /nfs/dbraw/zinc/14/43/07/345144307.db2.gz MKJSKBNUSABKIH-JGVFFNPUSA-N 0 0 193.250 1.696 10 0 ADAERN Cc1sccc1[C@H]1NC(=O)N=C1N 306252515 345144328 /nfs/dbraw/zinc/14/43/28/345144328.db2.gz HFGJXAQQDVHNCI-ZCFIWIBFSA-N 0 0 195.247 1.178 10 0 ADAERN O=c1cc(C(F)(F)F)[nH]cc1F 306252819 345144398 /nfs/dbraw/zinc/14/43/98/345144398.db2.gz SAGVSGWFTRVFSM-UHFFFAOYSA-N 0 0 181.088 1.945 10 0 ADAERN CC1(C)COC[C@@H]1n1cc[nH]c1=S 306252748 345144469 /nfs/dbraw/zinc/14/44/69/345144469.db2.gz JPIZGNOVLJHCNF-ZETCQYMHSA-N 0 0 198.291 1.769 10 0 ADAERN OC(C1CCOCC1)(C1CC1)C1CC1 306253246 345144594 /nfs/dbraw/zinc/14/45/94/345144594.db2.gz VUUNXDRVZDMCLR-UHFFFAOYSA-N 0 0 196.290 1.964 10 0 ADAERN CC1(C)CC/C1=C1\CC(=O)NC1=O 306253493 345144672 /nfs/dbraw/zinc/14/46/72/345144672.db2.gz NCJRWHSGVOPUPX-SREVYHEPSA-N 0 0 179.219 1.150 10 0 ADAERN Cc1noc([C@H]2CCCC(=O)C2)n1 306252995 345144829 /nfs/dbraw/zinc/14/48/29/345144829.db2.gz JCOUURIKEMOJLZ-ZETCQYMHSA-N 0 0 180.207 1.605 10 0 ADAERN CCc1nc(C(C)(F)F)n[nH]1 306253405 345144832 /nfs/dbraw/zinc/14/48/32/345144832.db2.gz LDPUHNDMECBVHF-UHFFFAOYSA-N 0 0 161.155 1.479 10 0 ADAERN Cc1ccc([C@H]2NC(=O)C2(C)C)o1 306253013 345144856 /nfs/dbraw/zinc/14/48/56/345144856.db2.gz JILMVZSUQIIGCA-MRVPVSSYSA-N 0 0 179.219 1.785 10 0 ADAERN CSc1ccc(NC2COC2)nc1 306253210 345144891 /nfs/dbraw/zinc/14/48/91/345144891.db2.gz VQHHYEYKQUJJFB-UHFFFAOYSA-N 0 0 196.275 1.614 10 0 ADAERN Cc1ccc([C@@H]2NC(=O)C2(C)C)o1 306253014 345144905 /nfs/dbraw/zinc/14/49/05/345144905.db2.gz JILMVZSUQIIGCA-QMMMGPOBSA-N 0 0 179.219 1.785 10 0 ADAERN Cc1noc([C@@H]2CCCC(=O)C2)n1 306252994 345144925 /nfs/dbraw/zinc/14/49/25/345144925.db2.gz JCOUURIKEMOJLZ-SSDOTTSWSA-N 0 0 180.207 1.605 10 0 ADAERN CC(C)(C)NC(=O)C1=CCCO1 306253558 345144942 /nfs/dbraw/zinc/14/49/42/345144942.db2.gz NJPKOOVIWYOFLW-UHFFFAOYSA-N 0 0 169.224 1.205 10 0 ADAERN CN[C@]1(C(F)(F)F)CC[C@@H]2C[C@@H]21 306254487 345145702 /nfs/dbraw/zinc/14/57/02/345145702.db2.gz OFTFZICPIQQCII-DSYKOEDSSA-N 0 0 179.185 1.937 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12C[C@@H](C)[C@H]2C 306254658 345145793 /nfs/dbraw/zinc/14/57/93/345145793.db2.gz UKGPABWDOVXHFP-REIXXSIJSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12C[C@H](C)[C@@H]2C 306254657 345145837 /nfs/dbraw/zinc/14/58/37/345145837.db2.gz UKGPABWDOVXHFP-KBIXCLLPSA-N 0 0 181.279 1.947 10 0 ADAERN CON(C)c1c(N)cncc1Cl 306254286 345145917 /nfs/dbraw/zinc/14/59/17/345145917.db2.gz NRSWWENCXBAZRE-UHFFFAOYSA-N 0 0 187.630 1.315 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12C[C@H](C)[C@H]2C 306254653 345145967 /nfs/dbraw/zinc/14/59/67/345145967.db2.gz UKGPABWDOVXHFP-DKIAZLNASA-N 0 0 181.279 1.947 10 0 ADAERN CN[C@]1(C(F)(F)F)CC[C@H]2C[C@H]21 306254490 345146022 /nfs/dbraw/zinc/14/60/22/345146022.db2.gz OFTFZICPIQQCII-RRKCRQDMSA-N 0 0 179.185 1.937 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12C[C@@H](C)[C@@H]2C 306254656 345146064 /nfs/dbraw/zinc/14/60/64/345146064.db2.gz UKGPABWDOVXHFP-HJGDQZAQSA-N 0 0 181.279 1.947 10 0 ADAERN CC1(C)OCC[C@H]1[NH2+]CCF 306255233 345146222 /nfs/dbraw/zinc/14/62/22/345146222.db2.gz MOMXKXFZSKIONK-SSDOTTSWSA-N 0 0 161.220 1.113 10 0 ADAERN CC1CC(Nc2ccc(=O)[nH]c2)C1 306254704 345146393 /nfs/dbraw/zinc/14/63/93/345146393.db2.gz LURGTUXIIDGULQ-UHFFFAOYSA-N 0 0 178.235 1.998 10 0 ADAERN COc1cc(N)cc(NCCF)c1 306255174 345146466 /nfs/dbraw/zinc/14/64/66/345146466.db2.gz OTWUVZBBTNTKNG-UHFFFAOYSA-N 0 0 184.214 1.659 10 0 ADAERN NC(=O)c1ccnc(NCC2CC2)c1 306254815 345146513 /nfs/dbraw/zinc/14/65/13/345146513.db2.gz UZAPTQQSXOCTMZ-UHFFFAOYSA-N 0 0 191.234 1.002 10 0 ADAERN CCC1(CNc2cccnc2)COC1 306254744 345146515 /nfs/dbraw/zinc/14/65/15/345146515.db2.gz UNIFNUXSYGNJBL-UHFFFAOYSA-N 0 0 192.262 1.920 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@H]1CSCCO1 306255878 345146852 /nfs/dbraw/zinc/14/68/52/345146852.db2.gz VUVDDNBZXDQBAK-BDAKNGLRSA-N 0 0 199.275 1.180 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@@H]1CSCCO1 306255880 345147020 /nfs/dbraw/zinc/14/70/20/345147020.db2.gz VUVDDNBZXDQBAK-IUCAKERBSA-N 0 0 199.275 1.180 10 0 ADAERN C[C@H](CO)Nc1cc(F)cc(F)c1 306255965 345147053 /nfs/dbraw/zinc/14/70/53/345147053.db2.gz NGFLQSZMGTWDJQ-ZCFIWIBFSA-N 0 0 187.189 1.758 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@H]1CSCCO1 306255881 345147072 /nfs/dbraw/zinc/14/70/72/345147072.db2.gz VUVDDNBZXDQBAK-RKDXNWHRSA-N 0 0 199.275 1.180 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@@H]1CSCCO1 306255879 345147144 /nfs/dbraw/zinc/14/71/44/345147144.db2.gz VUVDDNBZXDQBAK-DTWKUNHWSA-N 0 0 199.275 1.180 10 0 ADAERN C[C@@H](CO)Nc1cc(F)cc(F)c1 306255964 345147157 /nfs/dbraw/zinc/14/71/57/345147157.db2.gz NGFLQSZMGTWDJQ-LURJTMIESA-N 0 0 187.189 1.758 10 0 ADAERN COC1CN(c2cc(C)ccc2N)C1 306255805 345147181 /nfs/dbraw/zinc/14/71/81/345147181.db2.gz PIRGGOSGIZOFQH-UHFFFAOYSA-N 0 0 192.262 1.412 10 0 ADAERN OC[C@H]1C[C@@H]1Nc1cccc(Cl)n1 306256380 345147715 /nfs/dbraw/zinc/14/77/15/345147715.db2.gz XRTAPURHBYFFHT-RQJHMYQMSA-N 0 0 198.653 1.528 10 0 ADAERN C[C@H]1CC[C@]1(O)c1cccnc1N 306256029 345147421 /nfs/dbraw/zinc/14/74/21/345147421.db2.gz NNYOQZRIZOIHLJ-OIBJUYFYSA-N 0 0 178.235 1.281 10 0 ADAERN Clc1cccc(CNC2COC2)n1 306256574 345147566 /nfs/dbraw/zinc/14/75/66/345147566.db2.gz YAVHIFPPURXIHF-UHFFFAOYSA-N 0 0 198.653 1.223 10 0 ADAERN OC[C@@H]1C[C@H]1Nc1cccc(Cl)n1 306256377 345147589 /nfs/dbraw/zinc/14/75/89/345147589.db2.gz XRTAPURHBYFFHT-NKWVEPMBSA-N 0 0 198.653 1.528 10 0 ADAERN CSc1nc(N)nc(C2(C)CC2)n1 306256639 345147593 /nfs/dbraw/zinc/14/75/93/345147593.db2.gz YMDWURBVTQCAPS-UHFFFAOYSA-N 0 0 196.279 1.227 10 0 ADAERN C[C@@H]1CC[C@@]1(O)c1cccnc1N 306256030 345147600 /nfs/dbraw/zinc/14/76/00/345147600.db2.gz NNYOQZRIZOIHLJ-XCBNKYQSSA-N 0 0 178.235 1.281 10 0 ADAERN CCc1nsc(NCCF)n1 306256193 345147624 /nfs/dbraw/zinc/14/76/24/345147624.db2.gz WNTJPHNRBZUZMC-UHFFFAOYSA-N 0 0 175.232 1.482 10 0 ADAERN C[C@H]1CC[C@@]1(O)c1cccnc1N 306256031 345147639 /nfs/dbraw/zinc/14/76/39/345147639.db2.gz NNYOQZRIZOIHLJ-XVKPBYJWSA-N 0 0 178.235 1.281 10 0 ADAERN C[C@@H]1CC[C@]1(O)c1cccnc1N 306256028 345147655 /nfs/dbraw/zinc/14/76/55/345147655.db2.gz NNYOQZRIZOIHLJ-GMSGAONNSA-N 0 0 178.235 1.281 10 0 ADAERN OC[C@H]1C[C@H]1Nc1cccc(Cl)n1 306256379 345147676 /nfs/dbraw/zinc/14/76/76/345147676.db2.gz XRTAPURHBYFFHT-RNFRBKRXSA-N 0 0 198.653 1.528 10 0 ADAERN Nc1ccnc(C2=CCCC2)n1 306256712 345147695 /nfs/dbraw/zinc/14/76/95/345147695.db2.gz ZHMYATXACNIIKS-UHFFFAOYSA-N 0 0 161.208 1.626 10 0 ADAERN OC[C@@H]1C[C@@H]1Nc1cccc(Cl)n1 306256376 345147727 /nfs/dbraw/zinc/14/77/27/345147727.db2.gz XRTAPURHBYFFHT-BQBZGAKWSA-N 0 0 198.653 1.528 10 0 ADAERN C[C@H]1OCC[C@H]1NC(=O)C1(C)CC1 306257189 345147948 /nfs/dbraw/zinc/14/79/48/345147948.db2.gz QMDDOJQZMBCSBD-HTQZYQBOSA-N 0 0 183.251 1.080 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]12CC[C@H]2C 306257337 345147960 /nfs/dbraw/zinc/14/79/60/345147960.db2.gz POBULIDZVTXMKA-KHQFGBGNSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CC[C@@H]2C 306257338 345148093 /nfs/dbraw/zinc/14/80/93/345148093.db2.gz POBULIDZVTXMKA-NRPADANISA-N 0 0 167.252 1.701 10 0 ADAERN Cn1ccc(NCC(F)F)cc1=O 306256917 345148113 /nfs/dbraw/zinc/14/81/13/345148113.db2.gz OVCYSSFQYCVNPL-UHFFFAOYSA-N 0 0 188.177 1.062 10 0 ADAERN FCCNc1ncc(F)cc1F 306256875 345148128 /nfs/dbraw/zinc/14/81/28/345148128.db2.gz ONCXOLIGWUSXAS-UHFFFAOYSA-N 0 0 176.141 1.741 10 0 ADAERN CC1(C)OC[C@@H](C2CCCC2)[C@H]1O 306256836 345148139 /nfs/dbraw/zinc/14/81/39/345148139.db2.gz ZKMZBADTJCVKGZ-VHSXEESVSA-N 0 0 184.279 1.963 10 0 ADAERN Cn1cccc1CNc1c[nH]cn1 306257553 345148143 /nfs/dbraw/zinc/14/81/43/345148143.db2.gz ZBSAZERYGRHZFD-UHFFFAOYSA-N 0 0 176.223 1.360 10 0 ADAERN CC[C@@H]1NC(=O)C[C@]12CC[C@H]2C 306257340 345148172 /nfs/dbraw/zinc/14/81/72/345148172.db2.gz POBULIDZVTXMKA-WEDXCCLWSA-N 0 0 167.252 1.701 10 0 ADAERN CC1(C)OC[C@H](C2CCCC2)[C@H]1O 306256727 345148186 /nfs/dbraw/zinc/14/81/86/345148186.db2.gz ZKMZBADTJCVKGZ-NXEZZACHSA-N 0 0 184.279 1.963 10 0 ADAERN CC1(C)OC[C@H](C2CCCC2)[C@@H]1O 306256837 345148217 /nfs/dbraw/zinc/14/82/17/345148217.db2.gz ZKMZBADTJCVKGZ-ZJUUUORDSA-N 0 0 184.279 1.963 10 0 ADAERN O[C@H]1CCC[C@H]1Nc1nccs1 306257466 345148219 /nfs/dbraw/zinc/14/82/19/345148219.db2.gz XWNXRXOMZIDLSD-RQJHMYQMSA-N 0 0 184.264 1.468 10 0 ADAERN CC1(C)OC[C@@H](C2CCCC2)[C@@H]1O 306256728 345148228 /nfs/dbraw/zinc/14/82/28/345148228.db2.gz ZKMZBADTJCVKGZ-UWVGGRQHSA-N 0 0 184.279 1.963 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]12CC[C@@H]2C 306257339 345148230 /nfs/dbraw/zinc/14/82/30/345148230.db2.gz POBULIDZVTXMKA-OYNCUSHFSA-N 0 0 167.252 1.701 10 0 ADAERN O[C@@H]1CCC[C@@H]1Nc1nccs1 306257464 345148250 /nfs/dbraw/zinc/14/82/50/345148250.db2.gz XWNXRXOMZIDLSD-NKWVEPMBSA-N 0 0 184.264 1.468 10 0 ADAERN COc1ncc(NCC2CC2)cn1 306258106 345148481 /nfs/dbraw/zinc/14/84/81/345148481.db2.gz RJKILQKFAKPMSJ-UHFFFAOYSA-N 0 0 179.223 1.307 10 0 ADAERN CC(=O)CS[C@H]1CCCC[C@@H]1O 306258191 345148509 /nfs/dbraw/zinc/14/85/09/345148509.db2.gz RNAUWNNGCZXJMV-IUCAKERBSA-N 0 0 188.292 1.612 10 0 ADAERN CC(=O)CS[C@@H]1CCCC[C@H]1O 306258193 345148531 /nfs/dbraw/zinc/14/85/31/345148531.db2.gz RNAUWNNGCZXJMV-RKDXNWHRSA-N 0 0 188.292 1.612 10 0 ADAERN COC1CN(c2ccc(C)c(N)c2)C1 306257745 345148533 /nfs/dbraw/zinc/14/85/33/345148533.db2.gz QZKAATKFLZTACJ-UHFFFAOYSA-N 0 0 192.262 1.412 10 0 ADAERN COC(=O)N1CCC2(CC1)CC2 306258075 345148536 /nfs/dbraw/zinc/14/85/36/345148536.db2.gz RGXQDYADZNAFOB-UHFFFAOYSA-N 0 0 169.224 1.629 10 0 ADAERN CC[C@@H](C)N1C[C@H](O)CC(F)(F)C1 306258183 345148552 /nfs/dbraw/zinc/14/85/52/345148552.db2.gz RMPMXYDXUFBWAQ-HTQZYQBOSA-N 0 0 193.237 1.487 10 0 ADAERN CC[C@H](C)N1C[C@@H](O)CC(F)(F)C1 306258187 345148560 /nfs/dbraw/zinc/14/85/60/345148560.db2.gz RMPMXYDXUFBWAQ-YUMQZZPRSA-N 0 0 193.237 1.487 10 0 ADAERN Cc1ccc(CNC(N)=S)nc1C 306257667 345148621 /nfs/dbraw/zinc/14/86/21/345148621.db2.gz QJODSNTWPWUGDP-UHFFFAOYSA-N 0 0 195.291 1.032 10 0 ADAERN CC[C@@H](C)N1C[C@@H](O)CC(F)(F)C1 306258185 345148631 /nfs/dbraw/zinc/14/86/31/345148631.db2.gz RMPMXYDXUFBWAQ-SFYZADRCSA-N 0 0 193.237 1.487 10 0 ADAERN CCNc1cccc(C2OCCO2)n1 306257975 345148643 /nfs/dbraw/zinc/14/86/43/345148643.db2.gz ZFWYVRYVZVFQNB-UHFFFAOYSA-N 0 0 194.234 1.559 10 0 ADAERN CC(=O)CS[C@@H]1CCCC[C@@H]1O 306258190 345148695 /nfs/dbraw/zinc/14/86/95/345148695.db2.gz RNAUWNNGCZXJMV-DTWKUNHWSA-N 0 0 188.292 1.612 10 0 ADAERN CC(=O)CS[C@H]1CCCC[C@H]1O 306258189 345148908 /nfs/dbraw/zinc/14/89/08/345148908.db2.gz RNAUWNNGCZXJMV-BDAKNGLRSA-N 0 0 188.292 1.612 10 0 ADAERN CC[C@H](C)N1C[C@H](O)CC(F)(F)C1 306258184 345148949 /nfs/dbraw/zinc/14/89/49/345148949.db2.gz RMPMXYDXUFBWAQ-JGVFFNPUSA-N 0 0 193.237 1.487 10 0 ADAERN CS[C@H]1CC[C@H]1NC(=O)C1CCC1 306258556 345149122 /nfs/dbraw/zinc/14/91/22/345149122.db2.gz RWQUMPASEWNMRG-BDAKNGLRSA-N 0 0 199.319 1.797 10 0 ADAERN CC(C)NC(=S)N1C[C@@H]2CCC[C@H]21 306258577 345149132 /nfs/dbraw/zinc/14/91/32/345149132.db2.gz IUTRURVIJIAROH-DTWKUNHWSA-N 0 0 198.335 1.754 10 0 ADAERN CS[C@H]1CC[C@@H]1NC(=O)C1CCC1 306258559 345149189 /nfs/dbraw/zinc/14/91/89/345149189.db2.gz RWQUMPASEWNMRG-IUCAKERBSA-N 0 0 199.319 1.797 10 0 ADAERN CC(C)NC(=S)N1C[C@@H]2CCC[C@@H]21 306258585 345149208 /nfs/dbraw/zinc/14/92/08/345149208.db2.gz IUTRURVIJIAROH-IUCAKERBSA-N 0 0 198.335 1.754 10 0 ADAERN Nc1c(Cl)cnn1-c1cccnc1 306258879 345149224 /nfs/dbraw/zinc/14/92/24/345149224.db2.gz SHEZGIWKDWNODC-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CS[C@@H]1CC[C@H]1NC(=O)C1CCC1 306258561 345149292 /nfs/dbraw/zinc/14/92/92/345149292.db2.gz RWQUMPASEWNMRG-RKDXNWHRSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@]1(Nc2ncccn2)CCCOC1 306258295 345149337 /nfs/dbraw/zinc/14/93/37/345149337.db2.gz ZZSPDAFPLFORSS-JTQLQIEISA-N 0 0 193.250 1.458 10 0 ADAERN CC(C)NC(=S)N1C[C@H]2CCC[C@H]21 306258593 345149366 /nfs/dbraw/zinc/14/93/66/345149366.db2.gz IUTRURVIJIAROH-RKDXNWHRSA-N 0 0 198.335 1.754 10 0 ADAERN Cc1cc(C)nc(NCCCF)n1 306258630 345149389 /nfs/dbraw/zinc/14/93/89/345149389.db2.gz SEZIBXGHJBSDGU-UHFFFAOYSA-N 0 0 183.230 1.865 10 0 ADAERN C[C@@]1(Nc2ncccn2)CCCOC1 306258296 345149411 /nfs/dbraw/zinc/14/94/11/345149411.db2.gz ZZSPDAFPLFORSS-SNVBAGLBSA-N 0 0 193.250 1.458 10 0 ADAERN CNc1n[nH]c2c1CC[C@H]1C[C@@H]21 306258941 345149425 /nfs/dbraw/zinc/14/94/25/345149425.db2.gz SODJGGTZYDVNKE-CAHLUQPWSA-N 0 0 163.224 1.501 10 0 ADAERN CC(C)NC(=S)N1C[C@H]2CCC[C@@H]21 306258569 345149447 /nfs/dbraw/zinc/14/94/47/345149447.db2.gz IUTRURVIJIAROH-BDAKNGLRSA-N 0 0 198.335 1.754 10 0 ADAERN CS[C@@H]1CC[C@@H]1NC(=O)C1CCC1 306258557 345149471 /nfs/dbraw/zinc/14/94/71/345149471.db2.gz RWQUMPASEWNMRG-DTWKUNHWSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@@H]1CSC[C@@]1(O)c1cncnc1 306259492 345149741 /nfs/dbraw/zinc/14/97/41/345149741.db2.gz TXHKMUVUURXBMJ-APPZFPTMSA-N 0 0 196.275 1.047 10 0 ADAERN C[C@H]1CSC[C@@]1(O)c1cncnc1 306259493 345149773 /nfs/dbraw/zinc/14/97/73/345149773.db2.gz TXHKMUVUURXBMJ-CBAPKCEASA-N 0 0 196.275 1.047 10 0 ADAERN CNc1n[nH]c2c1CC[C@@H]1C[C@H]21 306258946 345149898 /nfs/dbraw/zinc/14/98/98/345149898.db2.gz SODJGGTZYDVNKE-VDTYLAMSSA-N 0 0 163.224 1.501 10 0 ADAERN O=C(c1cscn1)c1ccc[nH]1 306259103 345149901 /nfs/dbraw/zinc/14/99/01/345149901.db2.gz ZJNUBVZZFWESCV-UHFFFAOYSA-N 0 0 178.216 1.702 10 0 ADAERN C[C@@H]1CSC[C@]1(O)c1cncnc1 306259496 345149959 /nfs/dbraw/zinc/14/99/59/345149959.db2.gz TXHKMUVUURXBMJ-VXNVDRBHSA-N 0 0 196.275 1.047 10 0 ADAERN Cn1ncc(C(=O)c2ccsc2)n1 306259426 345150051 /nfs/dbraw/zinc/15/00/51/345150051.db2.gz SVZUCAXFGLJQJO-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CC1(C)CC[C@@H]1n1cc[nH]c1=O 306259776 345150399 /nfs/dbraw/zinc/15/03/99/345150399.db2.gz SNDZAOSASBEPAD-ZETCQYMHSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)Cc1ccsc1 306260195 345150471 /nfs/dbraw/zinc/15/04/71/345150471.db2.gz URHMURXOUQIJJN-IONNQARKSA-N 0 0 195.287 1.815 10 0 ADAERN CC1(C)CC[C@H]1n1cc[nH]c1=O 306259774 345150506 /nfs/dbraw/zinc/15/05/06/345150506.db2.gz SNDZAOSASBEPAD-SSDOTTSWSA-N 0 0 166.224 1.538 10 0 ADAERN CS[C@@H](C)C(=O)OC(C)C 306259953 345150516 /nfs/dbraw/zinc/15/05/16/345150516.db2.gz JRMREXLDZDWNQD-LURJTMIESA-N 0 0 162.254 1.690 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccsc1 306260194 345150551 /nfs/dbraw/zinc/15/05/51/345150551.db2.gz URHMURXOUQIJJN-CBAPKCEASA-N 0 0 195.287 1.815 10 0 ADAERN CS[C@H](C)C(=O)OC(C)C 306259955 345150583 /nfs/dbraw/zinc/15/05/83/345150583.db2.gz JRMREXLDZDWNQD-ZCFIWIBFSA-N 0 0 162.254 1.690 10 0 ADAERN c1nc(NCc2cscn2)c[nH]1 306260229 345150587 /nfs/dbraw/zinc/15/05/87/345150587.db2.gz UTDGHDZZPTWFDR-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN C[C@@H]1C[C@@H]([NH+]2CC(C(=O)[O-])C2)[C@@H]1C 306260783 345150944 /nfs/dbraw/zinc/15/09/44/345150944.db2.gz VLRINAIBCRCSGI-ZXFLCMHBSA-N 0 0 183.251 1.047 10 0 ADAERN O=C1CC[C@H](Sc2cccnn2)C1 306260730 345151037 /nfs/dbraw/zinc/15/10/37/345151037.db2.gz VEYVWCVZGURFEX-QMMMGPOBSA-N 0 0 194.259 1.690 10 0 ADAERN C[C@@H]1[C@@H]([NH+]2CC(C(=O)[O-])C2)C[C@H]1C 306260782 345151058 /nfs/dbraw/zinc/15/10/58/345151058.db2.gz VLRINAIBCRCSGI-FJXKBIBVSA-N 0 0 183.251 1.047 10 0 ADAERN CC(=O)c1ccnc(C2(C)CC2)n1 306260426 345151108 /nfs/dbraw/zinc/15/11/08/345151108.db2.gz UOISDHTVOJORQV-UHFFFAOYSA-N 0 0 176.219 1.731 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1[NH+]1CC(C(=O)[O-])C1 306260781 345151127 /nfs/dbraw/zinc/15/11/27/345151127.db2.gz VLRINAIBCRCSGI-BKPPORCPSA-N 0 0 183.251 1.047 10 0 ADAERN CSCC(=O)NC1(C)CC1 306260322 345151176 /nfs/dbraw/zinc/15/11/76/345151176.db2.gz KCCIPWRKCGCGSB-UHFFFAOYSA-N 0 0 159.254 1.018 10 0 ADAERN O=C1CC[C@@H](Sc2cccnn2)C1 306260721 345151193 /nfs/dbraw/zinc/15/11/93/345151193.db2.gz VEYVWCVZGURFEX-MRVPVSSYSA-N 0 0 194.259 1.690 10 0 ADAERN O=C(c1cc[nH]c1)N1CCSC1 306260509 345151198 /nfs/dbraw/zinc/15/11/98/345151198.db2.gz VDUIWICGGHSBQF-UHFFFAOYSA-N 0 0 182.248 1.161 10 0 ADAERN Cc1nnc(NCC2(F)CC2)o1 306260580 345151265 /nfs/dbraw/zinc/15/12/65/345151265.db2.gz VEAUGTVTBDBIDK-UHFFFAOYSA-N 0 0 171.175 1.292 10 0 ADAERN O=C(C=CC1CC1)Nc1cn[nH]c1 306260740 345151280 /nfs/dbraw/zinc/15/12/80/345151280.db2.gz VHGMHQUXHNDILD-ONEGZZNKSA-N 0 0 177.207 1.314 10 0 ADAERN C[C@@H]1C[C@H]([NH+]2CC(C(=O)[O-])C2)[C@@H]1C 306260780 345151377 /nfs/dbraw/zinc/15/13/77/345151377.db2.gz VLRINAIBCRCSGI-BHNWBGBOSA-N 0 0 183.251 1.047 10 0 ADAERN O=C(OC1COC1)[C@@H]1CC[C@H](F)C1 306261084 345151506 /nfs/dbraw/zinc/15/15/06/345151506.db2.gz VVOSOXOOBRPBKA-RQJHMYQMSA-N 0 0 188.198 1.067 10 0 ADAERN C[C@H](O)[C@H](C)Nc1ccccn1 306261367 345151538 /nfs/dbraw/zinc/15/15/38/345151538.db2.gz VZYNSLAHUYPWRW-YUMQZZPRSA-N 0 0 166.224 1.263 10 0 ADAERN O=C(OC1COC1)[C@H]1CC[C@@H](F)C1 306261082 345151551 /nfs/dbraw/zinc/15/15/51/345151551.db2.gz VVOSOXOOBRPBKA-NKWVEPMBSA-N 0 0 188.198 1.067 10 0 ADAERN O=C(OC1COC1)[C@@H]1CC[C@@H](F)C1 306261083 345151564 /nfs/dbraw/zinc/15/15/64/345151564.db2.gz VVOSOXOOBRPBKA-RNFRBKRXSA-N 0 0 188.198 1.067 10 0 ADAERN FC(F)c1nnc([C@H]2CCCO2)o1 306261391 345151604 /nfs/dbraw/zinc/15/16/04/345151604.db2.gz WDQDVYHEJOTZGC-SCSAIBSYSA-N 0 0 190.149 1.859 10 0 ADAERN O=C(OC1COC1)[C@H]1CC[C@H](F)C1 306261081 345151641 /nfs/dbraw/zinc/15/16/41/345151641.db2.gz VVOSOXOOBRPBKA-BQBZGAKWSA-N 0 0 188.198 1.067 10 0 ADAERN C[C@H](Nc1ccccn1)[C@@H](C)O 306261365 345151657 /nfs/dbraw/zinc/15/16/57/345151657.db2.gz VZYNSLAHUYPWRW-JGVFFNPUSA-N 0 0 166.224 1.263 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ccccn1 306261366 345151737 /nfs/dbraw/zinc/15/17/37/345151737.db2.gz VZYNSLAHUYPWRW-SFYZADRCSA-N 0 0 166.224 1.263 10 0 ADAERN CSCc1ccnc(NC(C)=O)c1 306261019 345151755 /nfs/dbraw/zinc/15/17/55/345151755.db2.gz VOUCDTFINKGWKQ-UHFFFAOYSA-N 0 0 196.275 1.903 10 0 ADAERN CC[C@H](C)C(=O)N[C@@H]1CCCOC1 306261378 345151803 /nfs/dbraw/zinc/15/18/03/345151803.db2.gz WAUQEXMHTDTWDG-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN Nc1nnc(-c2cncc(Cl)c2)o1 306261115 345151825 /nfs/dbraw/zinc/15/18/25/345151825.db2.gz WFMRVHRYUADLLI-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)C1(C)CCC1 306262198 345152270 /nfs/dbraw/zinc/15/22/70/345152270.db2.gz LTDGKCPGNNBQDL-DTWKUNHWSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H](NC(=O)[C@@H]1CC1(C)C)C1CC1 306261857 345152306 /nfs/dbraw/zinc/15/23/06/345152306.db2.gz LNBZMJGGZMSLEJ-APPZFPTMSA-N 0 0 181.279 1.947 10 0 ADAERN Cn1ccc(CNc2ncco2)n1 306261911 345152361 /nfs/dbraw/zinc/15/23/61/345152361.db2.gz WSFREVXQVSFALF-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN C[C@H](NC(=O)[C@@H]1CC1(C)C)C1CC1 306261864 345152377 /nfs/dbraw/zinc/15/23/77/345152377.db2.gz LNBZMJGGZMSLEJ-CBAPKCEASA-N 0 0 181.279 1.947 10 0 ADAERN Cc1ccc(OC(=O)[C@@H](C)O)cc1 306261901 345152551 /nfs/dbraw/zinc/15/25/51/345152551.db2.gz LOSAMZCVSPBIDQ-MRVPVSSYSA-N 0 0 180.203 1.281 10 0 ADAERN O=C(NCC1CC1)[C@H]1CCC1(F)F 306262871 345153031 /nfs/dbraw/zinc/15/30/31/345153031.db2.gz XYCLTJMXMBGHRM-SSDOTTSWSA-N 0 0 189.205 1.558 10 0 ADAERN Cc1[nH]c(=O)n(CC(C)C)c1C 306263129 345153045 /nfs/dbraw/zinc/15/30/45/345153045.db2.gz MTXIUAFNDRIAJE-UHFFFAOYSA-N 0 0 168.240 1.449 10 0 ADAERN O=C(NCC1CC1)[C@@H]1CCC1(F)F 306262879 345153120 /nfs/dbraw/zinc/15/31/20/345153120.db2.gz XYCLTJMXMBGHRM-ZETCQYMHSA-N 0 0 189.205 1.558 10 0 ADAERN CC(=O)c1ccc(N2CCC2)o1 306263206 345153726 /nfs/dbraw/zinc/15/37/26/345153726.db2.gz CHCKFARJEYXAGL-UHFFFAOYSA-N 0 0 165.192 1.692 10 0 ADAERN CC(=O)c1c[nH]c(-c2cncs2)n1 306263240 345153751 /nfs/dbraw/zinc/15/37/51/345153751.db2.gz YDOWMAYSEMXAQT-UHFFFAOYSA-N 0 0 193.231 1.736 10 0 ADAERN CC(C)(C)NC(=O)[C@H]1CCC1(F)F 306263486 345153757 /nfs/dbraw/zinc/15/37/57/345153757.db2.gz NIXVPAYBHWFFDU-ZCFIWIBFSA-N 0 0 191.221 1.946 10 0 ADAERN Cc1ccc([C@H]2CC[C@@H](CO)O2)nc1 306263539 345153765 /nfs/dbraw/zinc/15/37/65/345153765.db2.gz YSEULRWCKCSCOK-GXSJLCMTSA-N 0 0 193.246 1.602 10 0 ADAERN Cc1ccc([C@H]2CC[C@H](CO)O2)nc1 306263541 345153780 /nfs/dbraw/zinc/15/37/80/345153780.db2.gz YSEULRWCKCSCOK-MWLCHTKSSA-N 0 0 193.246 1.602 10 0 ADAERN Cc1cc(Cn2cccn2)ncn1 306263488 345153793 /nfs/dbraw/zinc/15/37/93/345153793.db2.gz NJELMMFGEDETCE-UHFFFAOYSA-N 0 0 174.207 1.030 10 0 ADAERN CC(C)(C)NC(=O)[C@@H]1CCC1(F)F 306263485 345153798 /nfs/dbraw/zinc/15/37/98/345153798.db2.gz NIXVPAYBHWFFDU-LURJTMIESA-N 0 0 191.221 1.946 10 0 ADAERN CCC(=O)N(C)c1ccnc(C)n1 306263288 345153799 /nfs/dbraw/zinc/15/37/99/345153799.db2.gz YHDKKCSHGAVQOM-UHFFFAOYSA-N 0 0 179.223 1.158 10 0 ADAERN Cc1ccc([C@@H]2CC[C@@H](CO)O2)nc1 306263542 345153820 /nfs/dbraw/zinc/15/38/20/345153820.db2.gz YSEULRWCKCSCOK-ONGXEEELSA-N 0 0 193.246 1.602 10 0 ADAERN Cc1ccc([C@@H]2CC[C@H](CO)O2)nc1 306263540 345153891 /nfs/dbraw/zinc/15/38/91/345153891.db2.gz YSEULRWCKCSCOK-KOLCDFICSA-N 0 0 193.246 1.602 10 0 ADAERN CNC(=S)NC1CCC2(CC1)CC2 306264154 345154238 /nfs/dbraw/zinc/15/42/38/345154238.db2.gz ODNTXPQRSPYPND-UHFFFAOYSA-N 0 0 198.335 1.803 10 0 ADAERN O=C(NCC(F)F)Nc1ccco1 306263850 345154248 /nfs/dbraw/zinc/15/42/48/345154248.db2.gz ZBZKDRMRKMPXQK-UHFFFAOYSA-N 0 0 190.149 1.666 10 0 ADAERN CC[C@H]1CCN1C(=S)NC1CC1 306263879 345154253 /nfs/dbraw/zinc/15/42/53/345154253.db2.gz ZFRQHNGFCUPMRM-QMMMGPOBSA-N 0 0 184.308 1.508 10 0 ADAERN CCC(C)(C)c1coc(N)n1 306264318 345154257 /nfs/dbraw/zinc/15/42/57/345154257.db2.gz CPLLDDJNMGOGLD-UHFFFAOYSA-N 0 0 154.213 1.944 10 0 ADAERN Cc1n[nH]cc1CNc1cc[nH]n1 306263747 345154355 /nfs/dbraw/zinc/15/43/55/345154355.db2.gz NOAJYAVKHWABIB-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)N1CCC1 306264082 345154363 /nfs/dbraw/zinc/15/43/63/345154363.db2.gz ZRZQEDCAKCKEDF-JGVFFNPUSA-N 0 0 168.240 1.200 10 0 ADAERN CC[C@@H]1CCN1C(=S)NC1CC1 306263878 345154365 /nfs/dbraw/zinc/15/43/65/345154365.db2.gz ZFRQHNGFCUPMRM-MRVPVSSYSA-N 0 0 184.308 1.508 10 0 ADAERN CS/C=C/C(=O)Nc1c[nH]nc1C 306264401 345154710 /nfs/dbraw/zinc/15/47/10/345154710.db2.gz CHTRBTCCPUPDRG-ONEGZZNKSA-N 0 0 197.263 1.533 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1=CCCCO1 306264469 345154753 /nfs/dbraw/zinc/15/47/53/345154753.db2.gz AGNVEJNLBXWTLJ-HTQZYQBOSA-N 0 0 181.235 1.205 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C1=CCCCO1 306264479 345154806 /nfs/dbraw/zinc/15/48/06/345154806.db2.gz AGNVEJNLBXWTLJ-JGVFFNPUSA-N 0 0 181.235 1.205 10 0 ADAERN CC1CN(C(=O)[C@@H](C)C(F)(F)F)C1 306264820 345154824 /nfs/dbraw/zinc/15/48/24/345154824.db2.gz OLYJVJFSVKTRHN-ZCFIWIBFSA-N 0 0 195.184 1.663 10 0 ADAERN CC1(C)CC[C@H](C(=O)N2CCC2)O1 306264841 345154932 /nfs/dbraw/zinc/15/49/32/345154932.db2.gz OPIMRCBIRQEVTO-MRVPVSSYSA-N 0 0 183.251 1.176 10 0 ADAERN CC1CN(C(=O)[C@H](C)C(F)(F)F)C1 306264387 345154939 /nfs/dbraw/zinc/15/49/39/345154939.db2.gz OLYJVJFSVKTRHN-LURJTMIESA-N 0 0 195.184 1.663 10 0 ADAERN Cc1cscc1N[C@@H]1CCNC1=O 306264898 345154941 /nfs/dbraw/zinc/15/49/41/345154941.db2.gz OTVOFRFZWNYMFB-SSDOTTSWSA-N 0 0 196.275 1.357 10 0 ADAERN Cc1cn[nH]c1C[NH2+][C@@H]1C[C@H]1C 306265411 345155258 /nfs/dbraw/zinc/15/52/58/345155258.db2.gz BLYPYEKLTPNFDI-HTRCEHHLSA-N 0 0 165.240 1.216 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1CCC1 306265241 345155274 /nfs/dbraw/zinc/15/52/74/345155274.db2.gz DNWSDGXMWDHRSK-HTRCEHHLSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C1CCC1 306265242 345155315 /nfs/dbraw/zinc/15/53/15/345155315.db2.gz DNWSDGXMWDHRSK-POYBYMJQSA-N 0 0 153.225 1.311 10 0 ADAERN COC(=O)Nc1c[nH]c(=O)c(C)c1 306265612 345155343 /nfs/dbraw/zinc/15/53/43/345155343.db2.gz DKQOVFSMSDOBQB-UHFFFAOYSA-N 0 0 182.179 1.274 10 0 ADAERN Cc1cn[nH]c1C[NH2+][C@@H]1C[C@@H]1C 306265412 345155347 /nfs/dbraw/zinc/15/53/47/345155347.db2.gz BLYPYEKLTPNFDI-POYBYMJQSA-N 0 0 165.240 1.216 10 0 ADAERN Cc1cn[nH]c1C[NH2+][C@H]1C[C@@H]1C 306265414 345155424 /nfs/dbraw/zinc/15/54/24/345155424.db2.gz BLYPYEKLTPNFDI-XPUUQOCRSA-N 0 0 165.240 1.216 10 0 ADAERN Cc1cn[nH]c1C[NH2+][C@H]1C[C@H]1C 306265413 345155430 /nfs/dbraw/zinc/15/54/30/345155430.db2.gz BLYPYEKLTPNFDI-SVRRBLITSA-N 0 0 165.240 1.216 10 0 ADAERN Cc1ccc(N[C@@H]2CCNC2=O)cc1 306265568 345155447 /nfs/dbraw/zinc/15/54/47/345155447.db2.gz DGKJUEHPTVVNTL-SNVBAGLBSA-N 0 0 190.246 1.295 10 0 ADAERN CC(C)(C)Nc1cccnn1 306265654 345155478 /nfs/dbraw/zinc/15/54/78/345155478.db2.gz GKXCVFAHEUWVIA-UHFFFAOYSA-N 0 0 151.213 1.687 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C1CCC1 306265243 345155490 /nfs/dbraw/zinc/15/54/90/345155490.db2.gz DNWSDGXMWDHRSK-SVRRBLITSA-N 0 0 153.225 1.311 10 0 ADAERN CN(C#N)C(=O)C(C)(C)C(F)F 306265958 345155724 /nfs/dbraw/zinc/15/57/24/345155724.db2.gz BPXMPGGKSZJRPG-UHFFFAOYSA-N 0 0 176.166 1.217 10 0 ADAERN CNC(=O)C1=C(Cl)CCC1 306266214 345155727 /nfs/dbraw/zinc/15/57/27/345155727.db2.gz BVEUCXTVVHVTAI-UHFFFAOYSA-N 0 0 159.616 1.409 10 0 ADAERN CC[C@H](C)c1nc(N(C)C)no1 306266389 345155776 /nfs/dbraw/zinc/15/57/76/345155776.db2.gz HCSCYHPYXCNEAR-LURJTMIESA-N 0 0 169.228 1.649 10 0 ADAERN NN[C@@H]1CCCC12CCCC2 306266960 345155866 /nfs/dbraw/zinc/15/58/66/345155866.db2.gz HUPBLVGTFPRPAC-MRVPVSSYSA-N 0 0 154.257 1.563 10 0 ADAERN CNc1cc(C(C)C)nc2ncnn12 306266110 345155870 /nfs/dbraw/zinc/15/58/70/345155870.db2.gz BTQMDEBOCPUMAP-UHFFFAOYSA-N 0 0 191.238 1.289 10 0 ADAERN c1cc(CNc2c[nH]cn2)ccn1 306266723 345155929 /nfs/dbraw/zinc/15/59/29/345155929.db2.gz PYTNUOCGASNQFF-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN CNc1nncc(Cl)c1Cl 306266122 345155979 /nfs/dbraw/zinc/15/59/79/345155979.db2.gz DQJVMFDZEAWUAS-UHFFFAOYSA-N 0 0 178.022 1.825 10 0 ADAERN CC[C@@H](C)c1nc(N(C)C)no1 306266390 345156096 /nfs/dbraw/zinc/15/60/96/345156096.db2.gz HCSCYHPYXCNEAR-ZCFIWIBFSA-N 0 0 169.228 1.649 10 0 ADAERN NN[C@H]1CCCC12CCCC2 306266961 345156440 /nfs/dbraw/zinc/15/64/40/345156440.db2.gz HUPBLVGTFPRPAC-QMMMGPOBSA-N 0 0 154.257 1.563 10 0 ADAERN CC1(F)CN(C(=O)NC2CCC2)C1 306267637 345156610 /nfs/dbraw/zinc/15/66/10/345156610.db2.gz QKHKZMCRRCWSOR-UHFFFAOYSA-N 0 0 186.230 1.292 10 0 ADAERN CC1N=NC(=S)N1CCCF 306267385 345156657 /nfs/dbraw/zinc/15/66/57/345156657.db2.gz INZREAJWVOLQPA-UHFFFAOYSA-N 0 0 175.232 1.235 10 0 ADAERN CC(F)(F)[C@H](N)c1cncc(F)c1 306267889 345156670 /nfs/dbraw/zinc/15/66/70/345156670.db2.gz IHTGSQKWWFECPL-SSDOTTSWSA-N 0 0 190.168 1.876 10 0 ADAERN O=C(NC1CCC1)C1=COCCC1 306267639 345156674 /nfs/dbraw/zinc/15/66/74/345156674.db2.gz IEOHAJLGEKIHGB-UHFFFAOYSA-N 0 0 181.235 1.349 10 0 ADAERN C1=C[C@H]2C[C@@H]1C[C@@H]2Nc1c[nH]cn1 306267127 345156678 /nfs/dbraw/zinc/15/66/78/345156678.db2.gz QBHLWLAIFCETMJ-VGMNWLOBSA-N 0 0 175.235 1.786 10 0 ADAERN C1=C[C@H]2C[C@@H]1C[C@H]2Nc1c[nH]cn1 306267126 345156729 /nfs/dbraw/zinc/15/67/29/345156729.db2.gz QBHLWLAIFCETMJ-HRDYMLBCSA-N 0 0 175.235 1.786 10 0 ADAERN O=C1CC(c2nnc(C(F)F)o2)C1 306268319 345157181 /nfs/dbraw/zinc/15/71/81/345157181.db2.gz 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/nfs/dbraw/zinc/15/79/10/345157910.db2.gz SEBPHECQODDAST-BDAKNGLRSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)C1CCC1 306268900 345157954 /nfs/dbraw/zinc/15/79/54/345157954.db2.gz LKXYPGMLQYMLAS-VXNVDRBHSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)C1CCC1 306268897 345158020 /nfs/dbraw/zinc/15/80/20/345158020.db2.gz LKXYPGMLQYMLAS-APPZFPTMSA-N 0 0 167.252 1.701 10 0 ADAERN Cn1cc([C@H]2CCCC(=O)C2)nn1 306269291 345158038 /nfs/dbraw/zinc/15/80/38/345158038.db2.gz SJUDTCQQIOKWEP-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN CNC(=O)[C@H]1CCCO[C@@H]1C(C)C 306268992 345158100 /nfs/dbraw/zinc/15/81/00/345158100.db2.gz SEBPHECQODDAST-DTWKUNHWSA-N 0 0 185.267 1.184 10 0 ADAERN Cn1cc([C@@H]2CCCC(=O)C2)nn1 306269290 345158113 /nfs/dbraw/zinc/15/81/13/345158113.db2.gz SJUDTCQQIOKWEP-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN Clc1nc(-c2cn[nH]c2)ns1 306268826 345158143 /nfs/dbraw/zinc/15/81/43/345158143.db2.gz KTHYNILUZLGRDV-UHFFFAOYSA-N 0 0 186.627 1.582 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)NC1(C)CC1 306269767 345158374 /nfs/dbraw/zinc/15/83/74/345158374.db2.gz MWRNOKSHJXJTGM-YUMQZZPRSA-N 0 0 182.267 1.637 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1cncs1 306269785 345158389 /nfs/dbraw/zinc/15/83/89/345158389.db2.gz NBJHQWLQSCTYMC-NKWVEPMBSA-N 0 0 196.275 1.671 10 0 ADAERN C[C@@H]1C[C@H]1c1ccc(N)nn1 306270145 345158392 /nfs/dbraw/zinc/15/83/92/345158392.db2.gz OHZQADLRWIXXBV-PHDIDXHHSA-N 0 0 149.197 1.182 10 0 ADAERN COCC(=O)c1cc(C)cs1 306269895 345158470 /nfs/dbraw/zinc/15/84/70/345158470.db2.gz NLKNRWYRFIACPC-UHFFFAOYSA-N 0 0 170.233 1.886 10 0 ADAERN CNC(=[NH2+])c1cc([O-])cc(F)c1 306270039 345158486 /nfs/dbraw/zinc/15/84/86/345158486.db2.gz TZEXRAPXOWKCEL-UHFFFAOYSA-N 0 0 168.171 1.076 10 0 ADAERN C[C@H]1C[C@H]1c1ccc(N)nn1 306270144 345158545 /nfs/dbraw/zinc/15/85/45/345158545.db2.gz OHZQADLRWIXXBV-NTSWFWBYSA-N 0 0 149.197 1.182 10 0 ADAERN C[C@H]1C[C@@H]1c1ccc(N)nn1 306270147 345158548 /nfs/dbraw/zinc/15/85/48/345158548.db2.gz OHZQADLRWIXXBV-WDSKDSINSA-N 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/nfs/dbraw/zinc/15/88/17/345158817.db2.gz NPTASEUMZDHOJV-UHFFFAOYSA-N 0 0 199.164 1.047 10 0 ADAERN CC(=O)[C@@H](C)SC1=NCCS1 306270782 345158977 /nfs/dbraw/zinc/15/89/77/345158977.db2.gz UTTVZOQRVFOZOR-ZCFIWIBFSA-N 0 0 189.305 1.800 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@H]1CCSC1 306270838 345158998 /nfs/dbraw/zinc/15/89/98/345158998.db2.gz UZFPCAPBUALHCQ-GJMOJQLCSA-N 0 0 185.292 1.264 10 0 ADAERN FC(F)[C@H]1C[C@@H]1Nc1cccnn1 306270780 345159019 /nfs/dbraw/zinc/15/90/19/345159019.db2.gz UTRZSZWTSDIYKH-WDSKDSINSA-N 0 0 185.177 1.542 10 0 ADAERN CNc1ccnc(-c2csnn2)n1 306270382 345159042 /nfs/dbraw/zinc/15/90/42/345159042.db2.gz ODMOUFGRZMQKIK-UHFFFAOYSA-N 0 0 193.235 1.037 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCSC1 306270837 345159093 /nfs/dbraw/zinc/15/90/93/345159093.db2.gz UZFPCAPBUALHCQ-CSMHCCOUSA-N 0 0 185.292 1.264 10 0 ADAERN Cc1nc(C(=O)c2ccc[nH]2)co1 306270475 345159153 /nfs/dbraw/zinc/15/91/53/345159153.db2.gz OVQFWONTRXHTLU-UHFFFAOYSA-N 0 0 176.175 1.542 10 0 ADAERN 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184.283 1.822 10 0 ADAERN Cc1c([C@@H]2C[C@H]2C)[nH]c(=O)[nH]c1=O 306273284 345160915 /nfs/dbraw/zinc/16/09/15/345160915.db2.gz YYTSJTUDYLUZQS-INEUFUBQSA-N 0 0 180.207 1.320 10 0 ADAERN Cc1c([C@H]2C[C@@H]2C)[nH]c(=O)[nH]c1=O 306273285 345161037 /nfs/dbraw/zinc/16/10/37/345161037.db2.gz YYTSJTUDYLUZQS-NJGYIYPDSA-N 0 0 180.207 1.320 10 0 ADAERN C[C@H]1CCC[C@H](C)C1N(C)C(N)=O 306273057 345161063 /nfs/dbraw/zinc/16/10/63/345161063.db2.gz YJYHEZLGHZEBKQ-YUMQZZPRSA-N 0 0 184.283 1.822 10 0 ADAERN C[C@@H](O)[C@@H](O)c1ccsc1Cl 306273834 345161411 /nfs/dbraw/zinc/16/14/11/345161411.db2.gz CFKGNOVVQCGHBD-INEUFUBQSA-N 0 0 192.667 1.816 10 0 ADAERN C[C@@H](O)[C@H](O)c1ccsc1Cl 306273854 345161443 /nfs/dbraw/zinc/16/14/43/345161443.db2.gz CFKGNOVVQCGHBD-XINAWCOVSA-N 0 0 192.667 1.816 10 0 ADAERN Cc1ccc(N[C@@H]2C[C@@H]2CO)nc1 306273850 345161463 /nfs/dbraw/zinc/16/14/63/345161463.db2.gz ABUYQCKEABPNOU-RKDXNWHRSA-N 0 0 178.235 1.183 10 0 ADAERN CNC(=O)C(C)(C)C(F)F 306273737 345161528 /nfs/dbraw/zinc/16/15/28/345161528.db2.gz AAGCSTCDYYIRBQ-UHFFFAOYSA-N 0 0 151.156 1.024 10 0 ADAERN O=C1CCCC[C@@H]1Cc1csnn1 306273889 345161565 /nfs/dbraw/zinc/16/15/65/345161565.db2.gz OWBYLFZRUCBKIH-SSDOTTSWSA-N 0 0 196.275 1.840 10 0 ADAERN CC1([C@H](O)c2cc[nH]c2)CC1 306273755 345161567 /nfs/dbraw/zinc/16/15/67/345161567.db2.gz ORUWWAVZIHVSIZ-MRVPVSSYSA-N 0 0 151.209 1.848 10 0 ADAERN Cc1ccc(N[C@H]2C[C@H]2CO)nc1 306273842 345161575 /nfs/dbraw/zinc/16/15/75/345161575.db2.gz ABUYQCKEABPNOU-IUCAKERBSA-N 0 0 178.235 1.183 10 0 ADAERN CC1([C@@H](O)c2cc[nH]c2)CC1 306273760 345161583 /nfs/dbraw/zinc/16/15/83/345161583.db2.gz ORUWWAVZIHVSIZ-QMMMGPOBSA-N 0 0 151.209 1.848 10 0 ADAERN C[C@H](O)[C@H](O)c1ccsc1Cl 306273843 345161596 /nfs/dbraw/zinc/16/15/96/345161596.db2.gz CFKGNOVVQCGHBD-NJGYIYPDSA-N 0 0 192.667 1.816 10 0 ADAERN Cc1ccc(N[C@@H]2C[C@H]2CO)nc1 306273837 345161605 /nfs/dbraw/zinc/16/16/05/345161605.db2.gz ABUYQCKEABPNOU-DTWKUNHWSA-N 0 0 178.235 1.183 10 0 ADAERN O=C1CCCC[C@H]1Cc1csnn1 306273898 345161708 /nfs/dbraw/zinc/16/17/08/345161708.db2.gz OWBYLFZRUCBKIH-ZETCQYMHSA-N 0 0 196.275 1.840 10 0 ADAERN Cc1[nH]c(=O)n(CC(F)F)c1C 306273585 345161714 /nfs/dbraw/zinc/16/17/14/345161714.db2.gz ZRGBJONHLJGXRZ-UHFFFAOYSA-N 0 0 176.166 1.058 10 0 ADAERN Cc1ccc(N[C@H]2C[C@@H]2CO)nc1 306273827 345161736 /nfs/dbraw/zinc/16/17/36/345161736.db2.gz ABUYQCKEABPNOU-BDAKNGLRSA-N 0 0 178.235 1.183 10 0 ADAERN C[C@H](O)[C@@H](O)c1ccsc1Cl 306273847 345161789 /nfs/dbraw/zinc/16/17/89/345161789.db2.gz CFKGNOVVQCGHBD-UJURSFKZSA-N 0 0 192.667 1.816 10 0 ADAERN CC(C)[C@H](C)Nc1ccc(=O)[nH]n1 306274188 345162067 /nfs/dbraw/zinc/16/20/67/345162067.db2.gz CAJZPDWWAXBFSH-ZETCQYMHSA-N 0 0 181.239 1.226 10 0 ADAERN CNC(=O)Cc1nc(C)sc1C 306274010 345162058 /nfs/dbraw/zinc/16/20/58/345162058.db2.gz FFBPGRDXSAKDJE-UHFFFAOYSA-N 0 0 184.264 1.048 10 0 ADAERN CC1(C)CC[C@H]1Nc1ncncc1N 306274112 345162065 /nfs/dbraw/zinc/16/20/65/345162065.db2.gz ALTHIMBMNPIVET-MRVPVSSYSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=S)NC1(C)CC1 306273952 345162077 /nfs/dbraw/zinc/16/20/77/345162077.db2.gz FDPBSKLYGXVGFX-HTQZYQBOSA-N 0 0 198.335 1.896 10 0 ADAERN O=C1CSC(C[C@H]2CCOC2)=N1 306274810 345162081 /nfs/dbraw/zinc/16/20/81/345162081.db2.gz BGYOBRSCNKKLKY-ZCFIWIBFSA-N 0 0 185.248 1.428 10 0 ADAERN COC(=O)N1CC[C@H](C)[C@H]1C 306273967 345162094 /nfs/dbraw/zinc/16/20/94/345162094.db2.gz ACUFITPDJHFSBP-NKWVEPMBSA-N 0 0 157.213 1.483 10 0 ADAERN O=C1CSC(C[C@@H]2CCOC2)=N1 306274808 345162103 /nfs/dbraw/zinc/16/21/03/345162103.db2.gz BGYOBRSCNKKLKY-LURJTMIESA-N 0 0 185.248 1.428 10 0 ADAERN O=C(Nc1ncccc1F)C1CC1 306274228 345162117 /nfs/dbraw/zinc/16/21/17/345162117.db2.gz CDWFVVBGSVGQAW-UHFFFAOYSA-N 0 0 180.182 1.569 10 0 ADAERN FC(F)CCn1cnnc1Cl 306273989 345162169 /nfs/dbraw/zinc/16/21/69/345162169.db2.gz ACUZXRBZXQXYIZ-UHFFFAOYSA-N 0 0 181.573 1.587 10 0 ADAERN CC1(C)CC[C@@H]1Nc1ncncc1N 306274119 345162194 /nfs/dbraw/zinc/16/21/94/345162194.db2.gz ALTHIMBMNPIVET-QMMMGPOBSA-N 0 0 192.266 1.659 10 0 ADAERN CC(=O)CS[C@@H]1CCCO1 306274591 345162199 /nfs/dbraw/zinc/16/21/99/345162199.db2.gz BWYWYNSIDQBKDG-SSDOTTSWSA-N 0 0 160.238 1.445 10 0 ADAERN CC(C)[C@@H](C)Nc1ccc(=O)[nH]n1 306274187 345162232 /nfs/dbraw/zinc/16/22/32/345162232.db2.gz CAJZPDWWAXBFSH-SSDOTTSWSA-N 0 0 181.239 1.226 10 0 ADAERN CC(F)(F)c1nnc(CN)s1 306274355 345162236 /nfs/dbraw/zinc/16/22/36/345162236.db2.gz BRSOGEYHWHUIDB-UHFFFAOYSA-N 0 0 179.195 1.109 10 0 ADAERN COC(=O)N1CC[C@H](C)[C@@H]1C 306273961 345162293 /nfs/dbraw/zinc/16/22/93/345162293.db2.gz ACUFITPDJHFSBP-BQBZGAKWSA-N 0 0 157.213 1.483 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=S)NC1(C)CC1 306273955 345162325 /nfs/dbraw/zinc/16/23/25/345162325.db2.gz FDPBSKLYGXVGFX-OCAPTIKFSA-N 0 0 198.335 1.896 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=S)NC1(C)CC1 306273959 345162379 /nfs/dbraw/zinc/16/23/79/345162379.db2.gz FDPBSKLYGXVGFX-YUMQZZPRSA-N 0 0 198.335 1.896 10 0 ADAERN COC(=O)N1CC[C@@H](C)[C@H]1C 306273975 345162384 /nfs/dbraw/zinc/16/23/84/345162384.db2.gz ACUFITPDJHFSBP-RNFRBKRXSA-N 0 0 157.213 1.483 10 0 ADAERN CC(=O)CS[C@H]1CCCO1 306274598 345162406 /nfs/dbraw/zinc/16/24/06/345162406.db2.gz BWYWYNSIDQBKDG-ZETCQYMHSA-N 0 0 160.238 1.445 10 0 ADAERN COC(=O)CN1C[C@@H]2CCCC[C@@H]21 306274475 345162433 /nfs/dbraw/zinc/16/24/33/345162433.db2.gz FNYZIDCPFBDJMN-IUCAKERBSA-N 0 0 183.251 1.034 10 0 ADAERN COC(=O)N1CC[C@@H](C)[C@@H]1C 306273982 345162486 /nfs/dbraw/zinc/16/24/86/345162486.db2.gz ACUFITPDJHFSBP-RQJHMYQMSA-N 0 0 157.213 1.483 10 0 ADAERN Clc1nsc(N2CCCC2)n1 306275364 345162740 /nfs/dbraw/zinc/16/27/40/345162740.db2.gz CSKBKQLXYRCWPL-UHFFFAOYSA-N 0 0 189.671 1.792 10 0 ADAERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(N)=O 306275055 345162750 /nfs/dbraw/zinc/16/27/50/345162750.db2.gz FRQZUAGRXUMNEO-WHFBIAKZSA-N 0 0 196.172 1.338 10 0 ADAERN Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)o1 306275203 345162766 /nfs/dbraw/zinc/16/27/66/345162766.db2.gz QQEBBGNIAFXBLJ-HTRCEHHLSA-N 0 0 179.219 1.726 10 0 ADAERN Cc1nnc(N[C@@H]2CCCC[C@@H]2O)o1 306275108 345162770 /nfs/dbraw/zinc/16/27/70/345162770.db2.gz FZFUZUZQXLBJHP-SFYZADRCSA-N 0 0 197.238 1.093 10 0 ADAERN CCO[C@H](C)C(=O)Nc1cnoc1 306274943 345162778 /nfs/dbraw/zinc/16/27/78/345162778.db2.gz CLFLYZRKNVSISR-ZCFIWIBFSA-N 0 0 184.195 1.038 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 306275103 345162792 /nfs/dbraw/zinc/16/27/92/345162792.db2.gz FYTWITUBMAILJV-PRQTWWFRSA-N 0 0 179.263 1.557 10 0 ADAERN Nc1[nH]ccc2ccnc1-2 306274833 345162802 /nfs/dbraw/zinc/16/28/02/345162802.db2.gz CGYPVQWMSDFUND-UHFFFAOYSA-N 0 0 133.154 1.097 10 0 ADAERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)o1 306275206 345162804 /nfs/dbraw/zinc/16/28/04/345162804.db2.gz QQEBBGNIAFXBLJ-XPUUQOCRSA-N 0 0 179.219 1.726 10 0 ADAERN Cc1nnc(N[C@H]2CCCC[C@H]2O)o1 306275107 345162808 /nfs/dbraw/zinc/16/28/08/345162808.db2.gz FZFUZUZQXLBJHP-JGVFFNPUSA-N 0 0 197.238 1.093 10 0 ADAERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(N)=O 306275053 345162859 /nfs/dbraw/zinc/16/28/59/345162859.db2.gz FRQZUAGRXUMNEO-RFZPGFLSSA-N 0 0 196.172 1.338 10 0 ADAERN O=C(NC1CC=CC1)c1cnoc1 306275218 345162862 /nfs/dbraw/zinc/16/28/62/345162862.db2.gz QTRBBYJEEVEGLD-UHFFFAOYSA-N 0 0 178.191 1.123 10 0 ADAERN Cc1ccc(C(=O)N[C@H]2C[C@H]2C)o1 306275205 345162887 /nfs/dbraw/zinc/16/28/87/345162887.db2.gz QQEBBGNIAFXBLJ-SVRRBLITSA-N 0 0 179.219 1.726 10 0 ADAERN C[C@H]1[C@H](C(F)(F)F)CCN1C(N)=O 306275052 345162919 /nfs/dbraw/zinc/16/29/19/345162919.db2.gz FRQZUAGRXUMNEO-CRCLSJGQSA-N 0 0 196.172 1.338 10 0 ADAERN CCO[C@@H](C)C(=O)Nc1cnoc1 306274941 345162922 /nfs/dbraw/zinc/16/29/22/345162922.db2.gz CLFLYZRKNVSISR-LURJTMIESA-N 0 0 184.195 1.038 10 0 ADAERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(N)=O 306275054 345162933 /nfs/dbraw/zinc/16/29/33/345162933.db2.gz FRQZUAGRXUMNEO-UHNVWZDZSA-N 0 0 196.172 1.338 10 0 ADAERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)o1 306275204 345163059 /nfs/dbraw/zinc/16/30/59/345163059.db2.gz QQEBBGNIAFXBLJ-POYBYMJQSA-N 0 0 179.219 1.726 10 0 ADAERN FCCCNc1ncns1 306275546 345163392 /nfs/dbraw/zinc/16/33/92/345163392.db2.gz KTVTWPDLOOTBEQ-UHFFFAOYSA-N 0 0 161.205 1.310 10 0 ADAERN Cc1nsc(N2CC(C3CC3)C2)n1 306275661 345163422 /nfs/dbraw/zinc/16/34/22/345163422.db2.gz LHZAZZZZDSGOQE-UHFFFAOYSA-N 0 0 195.291 1.693 10 0 ADAERN CNC(=S)N1CC(C)=C[C@H](C)C1 306275847 345163436 /nfs/dbraw/zinc/16/34/36/345163436.db2.gz GMIZRWMFTVSKTP-ZETCQYMHSA-N 0 0 184.308 1.389 10 0 ADAERN C(=C/c1ncc[nH]1)\c1ccncn1 306276076 345163465 /nfs/dbraw/zinc/16/34/65/345163465.db2.gz GSVDVWVMLDUFAW-OWOJBTEDSA-N 0 0 172.191 1.370 10 0 ADAERN CNC(=S)N1CC(C)=C[C@@H](C)C1 306275846 345163632 /nfs/dbraw/zinc/16/36/32/345163632.db2.gz GMIZRWMFTVSKTP-SSDOTTSWSA-N 0 0 184.308 1.389 10 0 ADAERN Cc1ccnc(C2=NC(=O)CS2)c1 306276562 345164052 /nfs/dbraw/zinc/16/40/52/345164052.db2.gz SRTQCHPMFDJSGQ-UHFFFAOYSA-N 0 0 192.243 1.410 10 0 ADAERN CC(=O)N[C@H]1CCC[C@@H]1C(F)(F)F 306277191 345164068 /nfs/dbraw/zinc/16/40/68/345164068.db2.gz FLEDYVMJJXSIPD-BQBZGAKWSA-N 0 0 195.184 1.854 10 0 ADAERN CC(=O)N[C@H]1CCC[C@H]1C(F)(F)F 306277197 345164085 /nfs/dbraw/zinc/16/40/85/345164085.db2.gz FLEDYVMJJXSIPD-RQJHMYQMSA-N 0 0 195.184 1.854 10 0 ADAERN CC(=O)N[C@@H]1CCC[C@@H]1C(F)(F)F 306277193 345164188 /nfs/dbraw/zinc/16/41/88/345164188.db2.gz FLEDYVMJJXSIPD-NKWVEPMBSA-N 0 0 195.184 1.854 10 0 ADAERN O=C(Nc1cnoc1)C1CCCC1 306277203 345164209 /nfs/dbraw/zinc/16/42/09/345164209.db2.gz FLIWCLUAPFQTQI-UHFFFAOYSA-N 0 0 180.207 1.803 10 0 ADAERN C[C@H]1CC[C@@H](C)[C@@H]1NC(N)=O 306277150 345164258 /nfs/dbraw/zinc/16/42/58/345164258.db2.gz FJAVDLYZOSEIOA-ZMONIFLSSA-N 0 0 156.229 1.089 10 0 ADAERN C[C@@H]1CC[C@@H](C)C1NC(N)=O 306277147 345164259 /nfs/dbraw/zinc/16/42/59/345164259.db2.gz FJAVDLYZOSEIOA-PHDIDXHHSA-N 0 0 156.229 1.089 10 0 ADAERN O=C(NC1CCCCC1)C1COC1 306278137 345164598 /nfs/dbraw/zinc/16/45/98/345164598.db2.gz VWPZUNCABARCAY-UHFFFAOYSA-N 0 0 183.251 1.082 10 0 ADAERN O=C(c1ccsn1)c1ncccn1 306277252 345164602 /nfs/dbraw/zinc/16/46/02/345164602.db2.gz FOLANOUWEKGXJS-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN Cn1cccc1CNc1cnsn1 306277767 345164604 /nfs/dbraw/zinc/16/46/04/345164604.db2.gz VGJLSLMOTSVOLA-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN CCNC(=S)N[C@@H]1C[C@H]1C1CC1 306278011 345164678 /nfs/dbraw/zinc/16/46/78/345164678.db2.gz VNTZXFSNSSYKOX-JGVFFNPUSA-N 0 0 184.308 1.269 10 0 ADAERN NC(=O)C[C@@H]1OCCc2sccc21 306278022 345164735 /nfs/dbraw/zinc/16/47/35/345164735.db2.gz VQBASZWGHXLSLY-ZETCQYMHSA-N 0 0 197.259 1.237 10 0 ADAERN C[C@]1(C2CCCCC2)NCC(=O)N1 306277752 345164763 /nfs/dbraw/zinc/16/47/63/345164763.db2.gz VBQDGRLHQBLVQE-JTQLQIEISA-N 0 0 182.267 1.002 10 0 ADAERN O=C(Nc1cocn1)NC1CCC1 306277505 345164777 /nfs/dbraw/zinc/16/47/77/345164777.db2.gz FUHHDUMKOOERME-UHFFFAOYSA-N 0 0 181.195 1.349 10 0 ADAERN C[C@H]1CCN(c2cccnn2)C1 306278337 345164989 /nfs/dbraw/zinc/16/49/89/345164989.db2.gz GLPSVZORDBSYFV-QMMMGPOBSA-N 0 0 163.224 1.323 10 0 ADAERN C[C@H](NC(=O)c1csnn1)C1CC1 306278362 345165013 /nfs/dbraw/zinc/16/50/13/345165013.db2.gz GNNUVBLCCPYHSS-YFKPBYRVSA-N 0 0 197.263 1.066 10 0 ADAERN Cc1cscc1NC1COC1 306278146 345165017 /nfs/dbraw/zinc/16/50/17/345165017.db2.gz PGBLEXYBFOPCBF-UHFFFAOYSA-N 0 0 169.249 1.867 10 0 ADAERN C[C@@H]1CCN(c2cccnn2)C1 306278336 345165038 /nfs/dbraw/zinc/16/50/38/345165038.db2.gz GLPSVZORDBSYFV-MRVPVSSYSA-N 0 0 163.224 1.323 10 0 ADAERN CC(F)(F)C(=O)N1C[C@@H]2CCC[C@@H]21 306279550 345165472 /nfs/dbraw/zinc/16/54/72/345165472.db2.gz HLQRHQUKZKOWGU-BQBZGAKWSA-N 0 0 189.205 1.653 10 0 ADAERN CC(F)(F)C(=O)N1C[C@H]2CCC[C@H]21 306279552 345165528 /nfs/dbraw/zinc/16/55/28/345165528.db2.gz HLQRHQUKZKOWGU-RNFRBKRXSA-N 0 0 189.205 1.653 10 0 ADAERN COC[C@H]1C[C@H](O)c2ccccc2O1 306279670 345165540 /nfs/dbraw/zinc/16/55/40/345165540.db2.gz SNLGWXUBKUCDFX-SCZZXKLOSA-N 0 0 194.230 1.518 10 0 ADAERN CC(F)(F)C(=O)N1C[C@H]2CCC[C@@H]21 306279553 345165588 /nfs/dbraw/zinc/16/55/88/345165588.db2.gz HLQRHQUKZKOWGU-RQJHMYQMSA-N 0 0 189.205 1.653 10 0 ADAERN COC[C@@H]1C[C@H](O)c2ccccc2O1 306279672 345165631 /nfs/dbraw/zinc/16/56/31/345165631.db2.gz SNLGWXUBKUCDFX-WPRPVWTQSA-N 0 0 194.230 1.518 10 0 ADAERN Cc1occc1-c1cn[nH]c1 306279609 345165640 /nfs/dbraw/zinc/16/56/40/345165640.db2.gz HRSOFKQOKYOMHD-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN CC(F)(F)C(=O)N1C[C@@H]2CCC[C@H]21 306279551 345165647 /nfs/dbraw/zinc/16/56/47/345165647.db2.gz HLQRHQUKZKOWGU-NKWVEPMBSA-N 0 0 189.205 1.653 10 0 ADAERN CN(C(N)=O)c1c(F)cccc1F 306279318 345165739 /nfs/dbraw/zinc/16/57/39/345165739.db2.gz RVJAXNPFDRVHHO-UHFFFAOYSA-N 0 0 186.161 1.480 10 0 ADAERN Nc1ccnn1C[C@H]1CCCSC1 306280941 345166114 /nfs/dbraw/zinc/16/61/14/345166114.db2.gz GBQBCJZLEOXSNV-MRVPVSSYSA-N 0 0 197.307 1.609 10 0 ADAERN O=C(NC1CC1)c1cnc(Cl)nc1 306281042 345166133 /nfs/dbraw/zinc/16/61/33/345166133.db2.gz GEDZJTCHWRTTGB-UHFFFAOYSA-N 0 0 197.625 1.022 10 0 ADAERN CNC(=S)N[C@H](C)CC(F)F 306280675 345166235 /nfs/dbraw/zinc/16/62/35/345166235.db2.gz UHOFRUPKKXGVEO-SCSAIBSYSA-N 0 0 182.239 1.124 10 0 ADAERN CNc1nc(Cn2cccn2)cs1 306280787 345166298 /nfs/dbraw/zinc/16/62/98/345166298.db2.gz DMSWFLAHFOIQFD-UHFFFAOYSA-N 0 0 194.263 1.430 10 0 ADAERN CC(C)C=CC(=O)Nc1cc[nH]n1 306280970 345166320 /nfs/dbraw/zinc/16/63/20/345166320.db2.gz UZMYQBDBNVHDEP-ONEGZZNKSA-N 0 0 179.223 1.560 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 306281021 345166357 /nfs/dbraw/zinc/16/63/57/345166357.db2.gz VJISCCDQMSEIOE-HRDYMLBCSA-N 0 0 182.267 1.493 10 0 ADAERN CNC(=S)N[C@@H](C)CC(F)F 306280673 345166385 /nfs/dbraw/zinc/16/63/85/345166385.db2.gz UHOFRUPKKXGVEO-BYPYZUCNSA-N 0 0 182.239 1.124 10 0 ADAERN Nc1ccnn1C[C@@H]1CCCSC1 306280943 345166469 /nfs/dbraw/zinc/16/64/69/345166469.db2.gz GBQBCJZLEOXSNV-QMMMGPOBSA-N 0 0 197.307 1.609 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CC[C@H]2C[C@H]21 306281020 345166530 /nfs/dbraw/zinc/16/65/30/345166530.db2.gz VJISCCDQMSEIOE-DJLDLDEBSA-N 0 0 182.267 1.493 10 0 ADAERN CC1(C)CC[C@H]1n1nccc1N 306281286 345166755 /nfs/dbraw/zinc/16/67/55/345166755.db2.gz HNHBKOMZRIEQOB-SSDOTTSWSA-N 0 0 165.240 1.826 10 0 ADAERN 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LEVQBQKJTFYWKC-ZCFIWIBFSA-N 0 0 182.223 1.829 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C 306312443 345191544 /nfs/dbraw/zinc/19/15/44/345191544.db2.gz KMMCVXOFJHKZAX-AATLWQCWSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ccc(N)nn1 306312430 345191551 /nfs/dbraw/zinc/19/15/51/345191551.db2.gz SEGBWWXPCKRBOD-NKWVEPMBSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C 306312450 345191567 /nfs/dbraw/zinc/19/15/67/345191567.db2.gz KMMCVXOFJHKZAX-XFWSIPNHSA-N 0 0 181.279 1.947 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1CSC1(C)C 306312468 345191584 /nfs/dbraw/zinc/19/15/84/345191584.db2.gz NMDHGOCXKVPIKI-TVSKSKRASA-N 0 0 199.319 1.963 10 0 ADAERN CO[C@@H]1CCC[C@@H]1n1cc([O-])cn1 306312543 345191590 /nfs/dbraw/zinc/19/15/90/345191590.db2.gz KZMLNIURGFPTDH-DTWKUNHWSA-N 0 0 182.223 1.329 10 0 ADAERN Cc1ccc(CNc2c[nH]cn2)o1 306312798 345191758 /nfs/dbraw/zinc/19/17/58/345191758.db2.gz NYDYVPVPHPXSFC-UHFFFAOYSA-N 0 0 177.207 1.923 10 0 ADAERN C[C@@]1(F)CCN(Cc2ccc[nH]2)C1 306312796 345191765 /nfs/dbraw/zinc/19/17/65/345191765.db2.gz NXGKJLQJRUPCCL-SNVBAGLBSA-N 0 0 182.242 1.949 10 0 ADAERN Cc1occc1[C@@H]1NC(=O)C1(C)C 306312710 345191837 /nfs/dbraw/zinc/19/18/37/345191837.db2.gz WFGCKPVSHDMOQG-QMMMGPOBSA-N 0 0 179.219 1.785 10 0 ADAERN Cc1cc(NC2CCC2)n(C)n1 306313250 345191887 /nfs/dbraw/zinc/19/18/87/345191887.db2.gz MHWZSFLTHGYPSK-UHFFFAOYSA-N 0 0 165.240 1.693 10 0 ADAERN C[C@@H](C(=O)N[C@@H]1C[C@H]1C)C(F)(F)F 306312756 345191898 /nfs/dbraw/zinc/19/18/98/345191898.db2.gz WKYXJPRISKBPEW-NGJCXOISSA-N 0 0 195.184 1.709 10 0 ADAERN C[C@]1(F)CCN(Cc2ccc[nH]2)C1 306312795 345192008 /nfs/dbraw/zinc/19/20/08/345192008.db2.gz NXGKJLQJRUPCCL-JTQLQIEISA-N 0 0 182.242 1.949 10 0 ADAERN Cc1csc(CNc2nnco2)n1 306312779 345192152 /nfs/dbraw/zinc/19/21/52/345192152.db2.gz NUWGJONMZOERJR-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN CC(C)(O)CCNc1cncc(N)c1 306313210 345192170 /nfs/dbraw/zinc/19/21/70/345192170.db2.gz LVLIGJMZFCJJCJ-UHFFFAOYSA-N 0 0 195.266 1.237 10 0 ADAERN Cc1occc1[C@H]1NC(=O)C1(C)C 306312709 345192191 /nfs/dbraw/zinc/19/21/91/345192191.db2.gz WFGCKPVSHDMOQG-MRVPVSSYSA-N 0 0 179.219 1.785 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H](C)C(F)(F)F 306312755 345192193 /nfs/dbraw/zinc/19/21/93/345192193.db2.gz WKYXJPRISKBPEW-HSUXUTPPSA-N 0 0 195.184 1.709 10 0 ADAERN CN(CC1CC1)c1ncncc1Cl 306313646 345192314 /nfs/dbraw/zinc/19/23/14/345192314.db2.gz OUXQNGWIUYREHT-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN Brc1cncc2n[nH]cc12 306313571 345192346 /nfs/dbraw/zinc/19/23/46/345192346.db2.gz ORJYPWCDOOIMGV-UHFFFAOYSA-N 0 0 198.023 1.672 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N1CC(F)C1 306313937 345192418 /nfs/dbraw/zinc/19/24/18/345192418.db2.gz PAFHKXIAIANBLP-IONNQARKSA-N 0 0 185.242 1.603 10 0 ADAERN Cc1cnoc1NC(=O)C(F)(F)F 306313569 345192430 /nfs/dbraw/zinc/19/24/30/345192430.db2.gz ORJORMSBQNTKJI-UHFFFAOYSA-N 0 0 194.112 1.484 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)ns1 306313635 345192501 /nfs/dbraw/zinc/19/25/01/345192501.db2.gz OUHSVOWZPHCJCF-IYSWYEEDSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1cc(NCC2(F)CC2)n(C)n1 306313494 345192668 /nfs/dbraw/zinc/19/26/68/345192668.db2.gz OORQFVKGHQVJHF-UHFFFAOYSA-N 0 0 183.230 1.643 10 0 ADAERN CO[C@@H]1Cc2ccccc2N(C)C1 306313690 345192759 /nfs/dbraw/zinc/19/27/59/345192759.db2.gz MRTIWJSDVQKMLP-SNVBAGLBSA-N 0 0 177.247 1.694 10 0 ADAERN CO[C@H]1Cc2ccccc2N(C)C1 306313689 345192762 /nfs/dbraw/zinc/19/27/62/345192762.db2.gz MRTIWJSDVQKMLP-JTQLQIEISA-N 0 0 177.247 1.694 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N1CC(F)C1 306313936 345192808 /nfs/dbraw/zinc/19/28/08/345192808.db2.gz PAFHKXIAIANBLP-CBAPKCEASA-N 0 0 185.242 1.603 10 0 ADAERN CC[C@H](C)[C@]1(C)NCC(=O)N1C1CC1 306313961 345192829 /nfs/dbraw/zinc/19/28/29/345192829.db2.gz PDRSJCSMDRILGT-GZMMTYOYSA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H]([NH3+])c1ccc[nH]1 306314134 345193062 /nfs/dbraw/zinc/19/30/62/345193062.db2.gz VQYIVWUKUWBQBL-JEZHCXPESA-N 0 0 180.251 1.440 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@H]([NH3+])c1ccc[nH]1 306314143 345193072 /nfs/dbraw/zinc/19/30/72/345193072.db2.gz VQYIVWUKUWBQBL-SZEHBUNVSA-N 0 0 180.251 1.440 10 0 ADAERN CC[C@@H](C)[C@@]1(C)NCC(=O)N1C1CC1 306313962 345193085 /nfs/dbraw/zinc/19/30/85/345193085.db2.gz PDRSJCSMDRILGT-KCJUWKMLSA-N 0 0 196.294 1.343 10 0 ADAERN Cc1ncc(CNc2nnco2)s1 306313977 345193092 /nfs/dbraw/zinc/19/30/92/345193092.db2.gz YFJQYVDHEFQUSA-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN CC[C@@H](C)[C@]1(C)NCC(=O)N1C1CC1 306313964 345193098 /nfs/dbraw/zinc/19/30/98/345193098.db2.gz PDRSJCSMDRILGT-LDYMZIIASA-N 0 0 196.294 1.343 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H]([NH3+])c1ccc[nH]1 306314129 345193113 /nfs/dbraw/zinc/19/31/13/345193113.db2.gz VQYIVWUKUWBQBL-FKTZTGRPSA-N 0 0 180.251 1.440 10 0 ADAERN Cc1ccc([C@H](C)NN)nc1C 306314109 345193134 /nfs/dbraw/zinc/19/31/34/345193134.db2.gz VOLGJTWDERWGHR-QMMMGPOBSA-N 0 0 165.240 1.223 10 0 ADAERN Cc1ccc(N)c(NCCF)c1 306314180 345193142 /nfs/dbraw/zinc/19/31/42/345193142.db2.gz VSFFJJGKFSWCSU-UHFFFAOYSA-N 0 0 168.215 1.959 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PBJBDRXRCZLYLW-UHFFFAOYSA-N 0 0 153.181 1.576 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccn(C)c(=O)c1 306315423 345193444 /nfs/dbraw/zinc/19/34/44/345193444.db2.gz QMOFEYYRTGQZFN-APPZFPTMSA-N 0 0 178.235 1.206 10 0 ADAERN CC(C)(O)CNc1nc(C2CC2)no1 306315325 345193469 /nfs/dbraw/zinc/19/34/69/345193469.db2.gz QJLJUEZYIDBWOA-UHFFFAOYSA-N 0 0 197.238 1.130 10 0 ADAERN CCn1nc(-c2ccco2)oc1=O 306315352 345193517 /nfs/dbraw/zinc/19/35/17/345193517.db2.gz GWKZEEWWJGRCKC-UHFFFAOYSA-N 0 0 180.163 1.116 10 0 ADAERN C[C@H]1C[C@H]1Nc1ccn(C)c(=O)c1 306315431 345193605 /nfs/dbraw/zinc/19/36/05/345193605.db2.gz QMOFEYYRTGQZFN-IONNQARKSA-N 0 0 178.235 1.206 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccn(C)c(=O)c1 306315427 345193650 /nfs/dbraw/zinc/19/36/50/345193650.db2.gz QMOFEYYRTGQZFN-CBAPKCEASA-N 0 0 178.235 1.206 10 0 ADAERN Oc1cncc(-c2ccsn2)c1 306315941 345194018 /nfs/dbraw/zinc/19/40/18/345194018.db2.gz CLQUTZIFVGHTCF-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN Cc1cnc(N2CCCCC2=O)s1 306315470 345194023 /nfs/dbraw/zinc/19/40/23/345194023.db2.gz QNGOGNWBQNRMAG-UHFFFAOYSA-N 0 0 196.275 1.968 10 0 ADAERN Cn1cc([C@@H]2CCCCC2=O)nn1 306315868 345194218 /nfs/dbraw/zinc/19/42/18/345194218.db2.gz BTQUVCNPJQAJEL-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccn(C)c(=O)c1 306315435 345194258 /nfs/dbraw/zinc/19/42/58/345194258.db2.gz QMOFEYYRTGQZFN-VXNVDRBHSA-N 0 0 178.235 1.206 10 0 ADAERN Cn1cc([C@H]2CCCCC2=O)nn1 306315867 345194341 /nfs/dbraw/zinc/19/43/41/345194341.db2.gz BTQUVCNPJQAJEL-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN Fc1cnc(Cl)nc1N1CCC1 306315523 345194389 /nfs/dbraw/zinc/19/43/89/345194389.db2.gz PWKFHDRPHMPSNY-UHFFFAOYSA-N 0 0 187.605 1.479 10 0 ADAERN NC(=S)N1CCC2(CCC2)CC1 306315542 345194456 /nfs/dbraw/zinc/19/44/56/345194456.db2.gz GGQGFCBGLKEEBP-UHFFFAOYSA-N 0 0 184.308 1.496 10 0 ADAERN CC[C@@]1(C2CCC2)COC(=O)N1 306316040 345194640 /nfs/dbraw/zinc/19/46/40/345194640.db2.gz GWJNGBUREBCMGH-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@]1(C2CCC2)COC(=O)N1 306316037 345194700 /nfs/dbraw/zinc/19/47/00/345194700.db2.gz GWJNGBUREBCMGH-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN CC(C)N(C)C(=O)[C@@H]1CC[C@@H](F)C1 306317267 345194984 /nfs/dbraw/zinc/19/49/84/345194984.db2.gz RTWODSJUDHYZRD-RKDXNWHRSA-N 0 0 187.258 1.991 10 0 ADAERN Cc1coc(NC[C@@](C)(O)C(C)C)n1 306316641 345195020 /nfs/dbraw/zinc/19/50/20/345195020.db2.gz RMEGHOCQHDLLOU-SNVBAGLBSA-N 0 0 198.266 1.802 10 0 ADAERN Cc1coc(NC[C@](C)(O)C(C)C)n1 306316632 345195070 /nfs/dbraw/zinc/19/50/70/345195070.db2.gz RMEGHOCQHDLLOU-JTQLQIEISA-N 0 0 198.266 1.802 10 0 ADAERN CC(C)N(C)C(=O)[C@H]1CC[C@H](F)C1 306317265 345195112 /nfs/dbraw/zinc/19/51/12/345195112.db2.gz RTWODSJUDHYZRD-IUCAKERBSA-N 0 0 187.258 1.991 10 0 ADAERN CC(C)N(C)C(=O)[C@@H]1CC[C@H](F)C1 306317260 345195328 /nfs/dbraw/zinc/19/53/28/345195328.db2.gz RTWODSJUDHYZRD-BDAKNGLRSA-N 0 0 187.258 1.991 10 0 ADAERN CC(C)N(C)C(=O)[C@H]1CC[C@@H](F)C1 306317263 345195406 /nfs/dbraw/zinc/19/54/06/345195406.db2.gz RTWODSJUDHYZRD-DTWKUNHWSA-N 0 0 187.258 1.991 10 0 ADAERN Nc1cc(-c2ccsn2)ccn1 306317368 345195797 /nfs/dbraw/zinc/19/57/97/345195797.db2.gz BQJRQKHFWDGNAH-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1nc(C(=O)N(C)C#N)sc1C 306317659 345195802 /nfs/dbraw/zinc/19/58/02/345195802.db2.gz SRTYXKHXUXNJCD-UHFFFAOYSA-N 0 0 195.247 1.313 10 0 ADAERN N#CN[C@H]1COc2ccccc2C1 306317409 345195820 /nfs/dbraw/zinc/19/58/20/345195820.db2.gz YSRHVFBCLQSSRI-SECBINFHSA-N 0 0 174.203 1.061 10 0 ADAERN N#CN[C@@H]1COc2ccccc2C1 306317411 345195978 /nfs/dbraw/zinc/19/59/78/345195978.db2.gz YSRHVFBCLQSSRI-VIFPVBQESA-N 0 0 174.203 1.061 10 0 ADAERN CCOc1ccncc1C1(O)CCC1 306317656 345195979 /nfs/dbraw/zinc/19/59/79/345195979.db2.gz SQKOHZMNUJBPIF-UHFFFAOYSA-N 0 0 193.246 1.852 10 0 ADAERN C[C@H](C1CCC1)N(C)C(N)=S 306317592 345196000 /nfs/dbraw/zinc/19/60/00/345196000.db2.gz HYVFSOVEMXQDIW-ZCFIWIBFSA-N 0 0 172.297 1.350 10 0 ADAERN C[C@@H](C1CCC1)N(C)C(N)=S 306317584 345196011 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NC(=S)c1cccc(NCCF)n1 306338721 345214016 /nfs/dbraw/zinc/21/40/16/345214016.db2.gz JFMAUXPLUVVQIO-UHFFFAOYSA-N 0 0 199.254 1.097 10 0 ADAERN Nc1c[nH]cc(Cl)c1=S 306338792 345214021 /nfs/dbraw/zinc/21/40/21/345214021.db2.gz JTTCBSBNWRXGKQ-UHFFFAOYSA-N 0 0 160.629 1.606 10 0 ADAERN COC[C@H]1NC(=O)C12CCCCC2 306339440 345214023 /nfs/dbraw/zinc/21/40/23/345214023.db2.gz XVYLATRQYFTTDW-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN COC1([C@H]2CNC(=O)C2)CCCC1 306339118 345214047 /nfs/dbraw/zinc/21/40/47/345214047.db2.gz XIVSWWXNRBLKAQ-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN COc1cncc(N2CCCC2)n1 306338780 345214181 /nfs/dbraw/zinc/21/41/81/345214181.db2.gz JPPJKCWTMVGPQT-UHFFFAOYSA-N 0 0 179.223 1.085 10 0 ADAERN Cc1cnc(N(C)[C@@H](C)CO)s1 306338660 345214239 /nfs/dbraw/zinc/21/42/39/345214239.db2.gz YHGLATIOSXGDDK-LURJTMIESA-N 0 0 186.280 1.269 10 0 ADAERN COC1([C@@H]2CNC(=O)C2)CCCC1 306339119 345214262 /nfs/dbraw/zinc/21/42/62/345214262.db2.gz XIVSWWXNRBLKAQ-QMMMGPOBSA-N 0 0 183.251 1.082 10 0 ADAERN CC(C)(C)S[C@H]1CCCNC1=O 306339156 345214273 /nfs/dbraw/zinc/21/42/73/345214273.db2.gz VOCCNKYCLPXLBE-ZETCQYMHSA-N 0 0 187.308 1.797 10 0 ADAERN CC(C)(C)S[C@@H]1CCCNC1=O 306339151 345214312 /nfs/dbraw/zinc/21/43/12/345214312.db2.gz VOCCNKYCLPXLBE-SSDOTTSWSA-N 0 0 187.308 1.797 10 0 ADAERN Cc1ncsc1CN1CC(F)C1 306339261 345214348 /nfs/dbraw/zinc/21/43/48/345214348.db2.gz ZCJVKJCRRHUMON-UHFFFAOYSA-N 0 0 186.255 1.605 10 0 ADAERN CC1(C2N=NC(=S)N2)CC1 306339715 345214742 /nfs/dbraw/zinc/21/47/42/345214742.db2.gz ZGTJAVSYGKLIDY-UHFFFAOYSA-N 0 0 155.226 1.145 10 0 ADAERN COC[C@@H]1NC(=O)C12CCCCC2 306339442 345214751 /nfs/dbraw/zinc/21/47/51/345214751.db2.gz XVYLATRQYFTTDW-QMMMGPOBSA-N 0 0 183.251 1.082 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)on1 306340353 345215458 /nfs/dbraw/zinc/21/54/58/345215458.db2.gz WMDMHJCBNQZLCL-IYSWYEEDSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)on1 306340351 345215300 /nfs/dbraw/zinc/21/53/00/345215300.db2.gz WMDMHJCBNQZLCL-FSPLSTOPSA-N 0 0 180.207 1.121 10 0 ADAERN c1cc2cnnc(NC3CC3)c2o1 306341085 345215608 /nfs/dbraw/zinc/21/56/08/345215608.db2.gz XCIWRMKVCMMWNX-UHFFFAOYSA-N 0 0 175.191 1.797 10 0 ADAERN Cc1nccnc1N[C@@H]1CC[C@@H]1C 306341482 345215808 /nfs/dbraw/zinc/21/58/08/345215808.db2.gz CVLFOYFAJZFSOS-IONNQARKSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nccnc1N[C@@H]1CC[C@H]1C 306341483 345215800 /nfs/dbraw/zinc/21/58/00/345215800.db2.gz CVLFOYFAJZFSOS-VXNVDRBHSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnn(C)c1-c1cnc(N)s1 306341505 345215804 /nfs/dbraw/zinc/21/58/04/345215804.db2.gz CZVOSNHTBPQBIH-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN O=c1[nH]c(Br)ccc1F 306341527 345215894 /nfs/dbraw/zinc/21/58/94/345215894.db2.gz DDODIILDENIVAE-UHFFFAOYSA-N 0 0 191.987 1.689 10 0 ADAERN CC(C)=CCn1c(C)c(C)[nH]c1=O 306342023 345215909 /nfs/dbraw/zinc/21/59/09/345215909.db2.gz YQDHGCBVJBZZSW-UHFFFAOYSA-N 0 0 180.251 1.759 10 0 ADAERN Cc1nccnc1N[C@H]1CC[C@H]1C 306341480 345215925 /nfs/dbraw/zinc/21/59/25/345215925.db2.gz CVLFOYFAJZFSOS-APPZFPTMSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nccnc1N[C@H]1CC[C@@H]1C 306341481 345215934 /nfs/dbraw/zinc/21/59/34/345215934.db2.gz CVLFOYFAJZFSOS-CBAPKCEASA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccc([C@H]2C[C@@H]2NC(N)=O)s1 306342123 345216336 /nfs/dbraw/zinc/21/63/36/345216336.db2.gz YZUDVUGDOUSPIV-BQBZGAKWSA-N 0 0 196.275 1.581 10 0 ADAERN CCc1oc(C(=O)NC)cc1C 306342197 345216340 /nfs/dbraw/zinc/21/63/40/345216340.db2.gz ZJOZVAWAKCXXJA-UHFFFAOYSA-N 0 0 167.208 1.510 10 0 ADAERN Cc1ccc(C(=O)N2CC(C)C2)o1 306342116 345216453 /nfs/dbraw/zinc/21/64/53/345216453.db2.gz YZFOSWXIZHCQNE-UHFFFAOYSA-N 0 0 179.219 1.680 10 0 ADAERN Cc1ccc([C@@H]2C[C@H]2NC(N)=O)s1 306342125 345216523 /nfs/dbraw/zinc/21/65/23/345216523.db2.gz YZUDVUGDOUSPIV-RNFRBKRXSA-N 0 0 196.275 1.581 10 0 ADAERN Nc1c(Cl)ncnc1NCCF 306342039 345216551 /nfs/dbraw/zinc/21/65/51/345216551.db2.gz YSCRIETZSXXFPE-UHFFFAOYSA-N 0 0 190.609 1.094 10 0 ADAERN CC(C)=CC(=O)OC1CC1 306342568 345216560 /nfs/dbraw/zinc/21/65/60/345216560.db2.gz BJTSNADOBJQCGC-UHFFFAOYSA-N 0 0 140.182 1.658 10 0 ADAERN O=C1CCN(OCc2ccccc2)C1 306342650 345216622 /nfs/dbraw/zinc/21/66/22/345216622.db2.gz LVSZLHOQHMFIKH-UHFFFAOYSA-N 0 0 191.230 1.393 10 0 ADAERN Cc1ccc([C@H]2C[C@H]2NC(N)=O)s1 306342124 345216633 /nfs/dbraw/zinc/21/66/33/345216633.db2.gz YZUDVUGDOUSPIV-NKWVEPMBSA-N 0 0 196.275 1.581 10 0 ADAERN Cc1ccc([C@@H]2C[C@@H]2NC(N)=O)s1 306342126 345216649 /nfs/dbraw/zinc/21/66/49/345216649.db2.gz YZUDVUGDOUSPIV-RQJHMYQMSA-N 0 0 196.275 1.581 10 0 ADAERN c1coc(CNc2csnn2)c1 306342237 345216666 /nfs/dbraw/zinc/21/66/66/345216666.db2.gz ZMOKRVTTYAWBDF-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN NC(=O)c1c[nH]c2cc(Cl)ccc12 306342922 345217024 /nfs/dbraw/zinc/21/70/24/345217024.db2.gz BHFUALHKBBLRHE-UHFFFAOYSA-N 0 0 194.621 1.920 10 0 ADAERN CC(C)[C@H](O)CN1CCC(F)(F)C1 306343287 345217077 /nfs/dbraw/zinc/21/70/77/345217077.db2.gz LGXPUIJVVNHSRN-MRVPVSSYSA-N 0 0 193.237 1.344 10 0 ADAERN CC(C)[C@@H](O)CN1CCC(F)(F)C1 306343288 345217206 /nfs/dbraw/zinc/21/72/06/345217206.db2.gz LGXPUIJVVNHSRN-QMMMGPOBSA-N 0 0 193.237 1.344 10 0 ADAERN Cn1cnc(-c2nccc(Cl)n2)c1 306343280 345217317 /nfs/dbraw/zinc/21/73/17/345217317.db2.gz LGACADJAVYOUAE-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN C[C@@H]1CC[C@@]1(O)C1CCOCC1 306343469 345217582 /nfs/dbraw/zinc/21/75/82/345217582.db2.gz CVYDOAVPXSMYOP-SCZZXKLOSA-N 0 0 170.252 1.574 10 0 ADAERN CN[C@H](c1ccsn1)C(F)F 306343847 345217587 /nfs/dbraw/zinc/21/75/87/345217587.db2.gz LZQHVJMBSGDAQS-RXMQYKEDSA-N 0 0 178.207 1.669 10 0 ADAERN C[C@H]1CC[C@]1(O)C1CCOCC1 306343471 345217605 /nfs/dbraw/zinc/21/76/05/345217605.db2.gz CVYDOAVPXSMYOP-WCBMZHEXSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1sc(=NN)[nH]c1[C@H]1CCOC1 306343503 345217616 /nfs/dbraw/zinc/21/76/16/345217616.db2.gz MLNJQUBNPJFWIY-LURJTMIESA-N 0 0 199.279 1.241 10 0 ADAERN Cc1nnc(CN2[C@@H](C)C[C@H]2C)[nH]1 306343406 345217641 /nfs/dbraw/zinc/21/76/41/345217641.db2.gz CTEIOQDNABTATB-KNVOCYPGSA-N 0 0 180.255 1.096 10 0 ADAERN CN(C)C(=O)Nc1cnccc1Cl 306343680 345217683 /nfs/dbraw/zinc/21/76/83/345217683.db2.gz BPEJJMGOBJFPGK-UHFFFAOYSA-N 0 0 199.641 1.829 10 0 ADAERN Cc1nnc(CN2[C@@H](C)C[C@@H]2C)[nH]1 306343405 345217713 /nfs/dbraw/zinc/21/77/13/345217713.db2.gz CTEIOQDNABTATB-BQBZGAKWSA-N 0 0 180.255 1.096 10 0 ADAERN CN[C@@H](c1ccsn1)C(F)F 306343848 345217722 /nfs/dbraw/zinc/21/77/22/345217722.db2.gz LZQHVJMBSGDAQS-YFKPBYRVSA-N 0 0 178.207 1.669 10 0 ADAERN C[C@@H]1CC[C@]1(O)C1CCOCC1 306343467 345217726 /nfs/dbraw/zinc/21/77/26/345217726.db2.gz CVYDOAVPXSMYOP-PSASIEDQSA-N 0 0 170.252 1.574 10 0 ADAERN Nc1cc2c(=S)nc[nH]c2s1 306343839 345217752 /nfs/dbraw/zinc/21/77/52/345217752.db2.gz LWCUUBAFCKEPEU-UHFFFAOYSA-N 0 0 183.261 1.562 10 0 ADAERN CCC(C)(C)C(=O)Nc1cn[nH]n1 306343714 345217782 /nfs/dbraw/zinc/21/77/82/345217782.db2.gz BVUGDQDDPCMISA-UHFFFAOYSA-N 0 0 182.227 1.179 10 0 ADAERN C[C@H]1CC[C@@]1(O)C1CCOCC1 306343473 345217828 /nfs/dbraw/zinc/21/78/28/345217828.db2.gz CVYDOAVPXSMYOP-WPRPVWTQSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1sc(=NN)[nH]c1[C@@H]1CCOC1 306343504 345217840 /nfs/dbraw/zinc/21/78/40/345217840.db2.gz MLNJQUBNPJFWIY-ZCFIWIBFSA-N 0 0 199.279 1.241 10 0 ADAERN Cc1nnc(CN2[C@H](C)C[C@H]2C)[nH]1 306343407 345217921 /nfs/dbraw/zinc/21/79/21/345217921.db2.gz CTEIOQDNABTATB-RNFRBKRXSA-N 0 0 180.255 1.096 10 0 ADAERN CC[C@](C)(OC)c1nccnc1NC 306343842 345217945 /nfs/dbraw/zinc/21/79/45/345217945.db2.gz LZFWLBGARPKDDP-JTQLQIEISA-N 0 0 195.266 1.790 10 0 ADAERN CONC(=O)N[C@H]1CC12CCCC2 306343738 345217948 /nfs/dbraw/zinc/21/79/48/345217948.db2.gz BYNSMDASWCEFJW-ZETCQYMHSA-N 0 0 184.239 1.180 10 0 ADAERN CC[C@@](C)(OC)c1nccnc1NC 306343843 345217955 /nfs/dbraw/zinc/21/79/55/345217955.db2.gz LZFWLBGARPKDDP-SNVBAGLBSA-N 0 0 195.266 1.790 10 0 ADAERN CONC(=O)N[C@@H]1CC12CCCC2 306343737 345217962 /nfs/dbraw/zinc/21/79/62/345217962.db2.gz BYNSMDASWCEFJW-SSDOTTSWSA-N 0 0 184.239 1.180 10 0 ADAERN CC(C)[C@H](C)C(=O)N[C@H]1C[C@@H]1C 306344013 345218090 /nfs/dbraw/zinc/21/80/90/345218090.db2.gz NSHCXGPRZOXJIB-CIUDSAMLSA-N 0 0 169.268 1.803 10 0 ADAERN O=C(NCC1CC1)[C@@H]1CC[C@H](F)C1 306344392 345218102 /nfs/dbraw/zinc/21/81/02/345218102.db2.gz DLDWJYREQBQPNU-BDAKNGLRSA-N 0 0 185.242 1.651 10 0 ADAERN Cc1nnc([C@@]2(C)CCCO2)o1 306343951 345218124 /nfs/dbraw/zinc/21/81/24/345218124.db2.gz DECIKBGQTRFBCS-MRVPVSSYSA-N 0 0 168.196 1.404 10 0 ADAERN O=C(NCC1CC1)[C@@H]1CC[C@@H](F)C1 306344410 345218129 /nfs/dbraw/zinc/21/81/29/345218129.db2.gz DLDWJYREQBQPNU-RKDXNWHRSA-N 0 0 185.242 1.651 10 0 ADAERN O=C(NCC1CC1)[C@H]1CC[C@H](F)C1 306344404 345218151 /nfs/dbraw/zinc/21/81/51/345218151.db2.gz DLDWJYREQBQPNU-IUCAKERBSA-N 0 0 185.242 1.651 10 0 ADAERN CC(=O)N[C@H]1CCCc2[nH]ccc21 306343929 345218162 /nfs/dbraw/zinc/21/81/62/345218162.db2.gz DCHSLKFDRHUSLY-JTQLQIEISA-N 0 0 178.235 1.528 10 0 ADAERN CC(C)[C@H](C)C(=O)N[C@@H]1C[C@@H]1C 306344015 345218193 /nfs/dbraw/zinc/21/81/93/345218193.db2.gz NSHCXGPRZOXJIB-XHNCKOQMSA-N 0 0 169.268 1.803 10 0 ADAERN O=C(NCC1CC1)[C@H]1CC[C@@H](F)C1 306344398 345218196 /nfs/dbraw/zinc/21/81/96/345218196.db2.gz DLDWJYREQBQPNU-DTWKUNHWSA-N 0 0 185.242 1.651 10 0 ADAERN Oc1cccc(CN2CCCO2)c1 306344104 345218208 /nfs/dbraw/zinc/21/82/08/345218208.db2.gz NXIOBPAPRJCZCH-UHFFFAOYSA-N 0 0 179.219 1.530 10 0 ADAERN O=C(NC1CCCC1)C1=CCCO1 306344428 345218246 /nfs/dbraw/zinc/21/82/46/345218246.db2.gz MQWSJZGOXQAMDE-UHFFFAOYSA-N 0 0 181.235 1.349 10 0 ADAERN CC1CCC(N2C[C@H](O)CO2)CC1 306343922 345218253 /nfs/dbraw/zinc/21/82/53/345218253.db2.gz DCCLKAJJTFDLRZ-RTBKNWGFSA-N 0 0 185.267 1.173 10 0 ADAERN CC(C)[C@H](C)C(=O)N[C@H]1C[C@H]1C 306344014 345218277 /nfs/dbraw/zinc/21/82/77/345218277.db2.gz NSHCXGPRZOXJIB-VGMNWLOBSA-N 0 0 169.268 1.803 10 0 ADAERN Cc1nnc([C@]2(C)CCCO2)o1 306343953 345218287 /nfs/dbraw/zinc/21/82/87/345218287.db2.gz DECIKBGQTRFBCS-QMMMGPOBSA-N 0 0 168.196 1.404 10 0 ADAERN CC(=O)N[C@@H]1CCCc2[nH]ccc21 306343930 345218330 /nfs/dbraw/zinc/21/83/30/345218330.db2.gz DCHSLKFDRHUSLY-SNVBAGLBSA-N 0 0 178.235 1.528 10 0 ADAERN CC(C)S[C@@H]1CCCNC1=O 306344659 345218684 /nfs/dbraw/zinc/21/86/84/345218684.db2.gz CORZSQWTMBZVQF-SSDOTTSWSA-N 0 0 173.281 1.407 10 0 ADAERN CC(C)ON[C@H]1CSC[C@@H]1C 306345132 345218742 /nfs/dbraw/zinc/21/87/42/345218742.db2.gz NYYOJNQADJTHAE-YUMQZZPRSA-N 0 0 175.297 1.668 10 0 ADAERN [NH3+][C@@H](c1cscn1)[C@@H]1CCCCO1 306345140 345218756 /nfs/dbraw/zinc/21/87/56/345218756.db2.gz NZGPFTYLLUXHRE-IUCAKERBSA-N 0 0 198.291 1.712 10 0 ADAERN [NH3+][C@H](c1cscn1)[C@H]1CCCCO1 306345145 345218775 /nfs/dbraw/zinc/21/87/75/345218775.db2.gz NZGPFTYLLUXHRE-RKDXNWHRSA-N 0 0 198.291 1.712 10 0 ADAERN [NH3+][C@@H](c1cscn1)[C@H]1CCCCO1 306345133 345218820 /nfs/dbraw/zinc/21/88/20/345218820.db2.gz NZGPFTYLLUXHRE-BDAKNGLRSA-N 0 0 198.291 1.712 10 0 ADAERN [NH3+][C@H](c1cscn1)[C@@H]1CCCCO1 306345135 345218841 /nfs/dbraw/zinc/21/88/41/345218841.db2.gz NZGPFTYLLUXHRE-DTWKUNHWSA-N 0 0 198.291 1.712 10 0 ADAERN O=C(CC(F)(F)F)Nc1cnoc1 306344712 345218894 /nfs/dbraw/zinc/21/88/94/345218894.db2.gz CQZCAOQQBMCKQG-UHFFFAOYSA-N 0 0 194.112 1.566 10 0 ADAERN CNC(=O)c1c(C(C)C)n[nH]c1C 306345222 345218911 /nfs/dbraw/zinc/21/89/11/345218911.db2.gz DKTVDHYRRIFKFN-UHFFFAOYSA-N 0 0 181.239 1.201 10 0 ADAERN CC/C=C/C(=O)NC1(C)CC1 306344645 345218918 /nfs/dbraw/zinc/21/89/18/345218918.db2.gz CNLZNRXMXAPINC-SNAWJCMRSA-N 0 0 153.225 1.621 10 0 ADAERN CC(C)ON[C@H]1CSC[C@H]1C 306345131 345218930 /nfs/dbraw/zinc/21/89/30/345218930.db2.gz NYYOJNQADJTHAE-SFYZADRCSA-N 0 0 175.297 1.668 10 0 ADAERN CC(C)ON[C@@H]1CSC[C@@H]1C 306345130 345219032 /nfs/dbraw/zinc/21/90/32/345219032.db2.gz NYYOJNQADJTHAE-JGVFFNPUSA-N 0 0 175.297 1.668 10 0 ADAERN Nc1[nH+]c2c(n1C1CC1)CCSC2 306345096 345219070 /nfs/dbraw/zinc/21/90/70/345219070.db2.gz NWMCYLMIFFXLMP-UHFFFAOYSA-N 0 0 195.291 1.590 10 0 ADAERN NC(=O)CCc1c(F)cccc1F 306345503 345219361 /nfs/dbraw/zinc/21/93/61/345219361.db2.gz OYIBNDNHJBYFOF-UHFFFAOYSA-N 0 0 185.173 1.383 10 0 ADAERN N#CN1CC[C@@H](C(F)(F)F)C1 306345555 345219364 /nfs/dbraw/zinc/21/93/64/345219364.db2.gz OGHDTPBVASFEMZ-RXMQYKEDSA-N 0 0 164.130 1.352 10 0 ADAERN CC1CC(C(=O)Nc2cn[nH]c2)C1 306345387 345219454 /nfs/dbraw/zinc/21/94/54/345219454.db2.gz PKZYYOLTGNSTPG-UHFFFAOYSA-N 0 0 179.223 1.394 10 0 ADAERN CC1(C)OCC[C@@]1(O)C1CC1 306345655 345219457 /nfs/dbraw/zinc/21/94/57/345219457.db2.gz OUTZONGGCLMJOV-SECBINFHSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@H](CO)[C@H]1CCCCCC1=O 306345700 345219513 /nfs/dbraw/zinc/21/95/13/345219513.db2.gz PYJGDHDDCQBWIO-RKDXNWHRSA-N 0 0 170.252 1.764 10 0 ADAERN OCc1cccc(-c2cn[nH]c2)c1 306345306 345219535 /nfs/dbraw/zinc/21/95/35/345219535.db2.gz ODQFOSDOUQEURA-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN C[C@H](CO)[C@@H]1CCCCCC1=O 306345480 345219536 /nfs/dbraw/zinc/21/95/36/345219536.db2.gz PYJGDHDDCQBWIO-BDAKNGLRSA-N 0 0 170.252 1.764 10 0 ADAERN CCc1c(NC)ncnc1N1CCC1 306345283 345219543 /nfs/dbraw/zinc/21/95/43/345219543.db2.gz NYITYJYYDCWEKL-UHFFFAOYSA-N 0 0 192.266 1.291 10 0 ADAERN CC1(C)OCC[C@]1(O)C1CC1 306345657 345219552 /nfs/dbraw/zinc/21/95/52/345219552.db2.gz OUTZONGGCLMJOV-VIFPVBQESA-N 0 0 156.225 1.326 10 0 ADAERN CCCc1cc(NC(=O)NC)on1 306345240 345219563 /nfs/dbraw/zinc/21/95/63/345219563.db2.gz DONFWRRPGDZRJT-UHFFFAOYSA-N 0 0 183.211 1.378 10 0 ADAERN N#CN1CC[C@H](C(F)(F)F)C1 306345556 345219565 /nfs/dbraw/zinc/21/95/65/345219565.db2.gz OGHDTPBVASFEMZ-YFKPBYRVSA-N 0 0 164.130 1.352 10 0 ADAERN C[C@@H](CO)[C@@H]1CCCCCC1=O 306345698 345219669 /nfs/dbraw/zinc/21/96/69/345219669.db2.gz PYJGDHDDCQBWIO-IUCAKERBSA-N 0 0 170.252 1.764 10 0 ADAERN C[C@@H](CO)[C@H]1CCCCCC1=O 306345696 345219678 /nfs/dbraw/zinc/21/96/78/345219678.db2.gz PYJGDHDDCQBWIO-DTWKUNHWSA-N 0 0 170.252 1.764 10 0 ADAERN O=C(c1cscn1)c1ncccn1 306345554 345219700 /nfs/dbraw/zinc/21/97/00/345219700.db2.gz OGESKDWCVRRNOK-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN CNC(=O)N[C@H]1CCC1(C)C 306346090 345219802 /nfs/dbraw/zinc/21/98/02/345219802.db2.gz AGLDOIGJJYOAAK-LURJTMIESA-N 0 0 156.229 1.104 10 0 ADAERN COC(=O)N[C@@H]1CC[C@@H]1SC 306346049 345219835 /nfs/dbraw/zinc/21/98/35/345219835.db2.gz PKLQLWISJUTDJD-RITPCOANSA-N 0 0 175.253 1.236 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 306346029 345220036 /nfs/dbraw/zinc/22/00/36/345220036.db2.gz PGCNPDQYKJXWPA-XKNYDFJKSA-N 0 0 181.279 1.947 10 0 ADAERN COC(=O)N[C@H]1CC[C@@H]1SC 306346050 345220075 /nfs/dbraw/zinc/22/00/75/345220075.db2.gz PKLQLWISJUTDJD-WDSKDSINSA-N 0 0 175.253 1.236 10 0 ADAERN COC(=O)N[C@@H]1CC[C@H]1SC 306346048 345220077 /nfs/dbraw/zinc/22/00/77/345220077.db2.gz PKLQLWISJUTDJD-PHDIDXHHSA-N 0 0 175.253 1.236 10 0 ADAERN C[C@@H](O)c1cccnc1N1CC=CC1 306345977 345220202 /nfs/dbraw/zinc/22/02/02/345220202.db2.gz PALBONHUMYPCPD-SECBINFHSA-N 0 0 190.246 1.511 10 0 ADAERN CNC(=O)N[C@@H]1CCC1(C)C 306346091 345220223 /nfs/dbraw/zinc/22/02/23/345220223.db2.gz AGLDOIGJJYOAAK-ZCFIWIBFSA-N 0 0 156.229 1.104 10 0 ADAERN C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 306346028 345220285 /nfs/dbraw/zinc/22/02/85/345220285.db2.gz PGCNPDQYKJXWPA-QEYWKRMJSA-N 0 0 181.279 1.947 10 0 ADAERN COC(=O)N[C@H]1CC[C@H]1SC 306346047 345220382 /nfs/dbraw/zinc/22/03/82/345220382.db2.gz PKLQLWISJUTDJD-NTSWFWBYSA-N 0 0 175.253 1.236 10 0 ADAERN C[C@@H]1SCC[C@H]1n1cc[nH]c1=O 306347009 345220455 /nfs/dbraw/zinc/22/04/55/345220455.db2.gz CDMBZGFVVFAWKH-NKWVEPMBSA-N 0 0 184.264 1.243 10 0 ADAERN C[C@H]1CC[C@@]1(O)c1cnccn1 306346528 345220464 /nfs/dbraw/zinc/22/04/64/345220464.db2.gz PSORHVADXYYSPU-CBAPKCEASA-N 0 0 164.208 1.094 10 0 ADAERN C[C@H]1CC[C@]1(O)c1cnccn1 306346529 345220547 /nfs/dbraw/zinc/22/05/47/345220547.db2.gz PSORHVADXYYSPU-IONNQARKSA-N 0 0 164.208 1.094 10 0 ADAERN C[C@H]1SCC[C@H]1n1cc[nH]c1=O 306347010 345220682 /nfs/dbraw/zinc/22/06/82/345220682.db2.gz CDMBZGFVVFAWKH-RNFRBKRXSA-N 0 0 184.264 1.243 10 0 ADAERN C[C@@H]1SCC[C@@H]1n1cc[nH]c1=O 306347008 345220755 /nfs/dbraw/zinc/22/07/55/345220755.db2.gz CDMBZGFVVFAWKH-BQBZGAKWSA-N 0 0 184.264 1.243 10 0 ADAERN C[C@@H]1CC[C@@]1(O)c1cnccn1 306346527 345220770 /nfs/dbraw/zinc/22/07/70/345220770.db2.gz PSORHVADXYYSPU-APPZFPTMSA-N 0 0 164.208 1.094 10 0 ADAERN Cc1cc(Cl)nc(CN2CCC2)n1 306346964 345220773 /nfs/dbraw/zinc/22/07/73/345220773.db2.gz BRTXIUGEXKVVQA-UHFFFAOYSA-N 0 0 197.669 1.644 10 0 ADAERN C[C@H]1SCC[C@@H]1n1cc[nH]c1=O 306347011 345220794 /nfs/dbraw/zinc/22/07/94/345220794.db2.gz CDMBZGFVVFAWKH-RQJHMYQMSA-N 0 0 184.264 1.243 10 0 ADAERN C[C@@H]1CC[C@]1(O)c1cnccn1 306346531 345220929 /nfs/dbraw/zinc/22/09/29/345220929.db2.gz PSORHVADXYYSPU-VXNVDRBHSA-N 0 0 164.208 1.094 10 0 ADAERN C[C@H]1OCC[C@]1(C)C(=O)NC1CC1 306347462 345221200 /nfs/dbraw/zinc/22/12/00/345221200.db2.gz SDLNAWAIBZHOBI-XCBNKYQSSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)[C@@H](C1CC1)N1CCNC1=O 306347114 345221213 /nfs/dbraw/zinc/22/12/13/345221213.db2.gz QPAXVRHLQNDJKB-VIFPVBQESA-N 0 0 182.267 1.446 10 0 ADAERN COc1c(C)nc(CC2CC2)nc1N 306347079 345221258 /nfs/dbraw/zinc/22/12/58/345221258.db2.gz QKIPAFIANASMSE-UHFFFAOYSA-N 0 0 193.250 1.328 10 0 ADAERN Cc1nccc(NC(C)(C)C)n1 306347363 345221278 /nfs/dbraw/zinc/22/12/78/345221278.db2.gz CTDCGXKFCYBDDN-UHFFFAOYSA-N 0 0 165.240 1.995 10 0 ADAERN CCNC(=[NH2+])c1ccc([O-])c(Cl)c1 306347209 345221337 /nfs/dbraw/zinc/22/13/37/345221337.db2.gz DCHMIFDZJIDGHF-UHFFFAOYSA-N 0 0 198.653 1.980 10 0 ADAERN C[C@@H]1OCC[C@]1(C)C(=O)NC1CC1 306347463 345221346 /nfs/dbraw/zinc/22/13/46/345221346.db2.gz SDLNAWAIBZHOBI-XVKPBYJWSA-N 0 0 183.251 1.080 10 0 ADAERN O=C(Nc1cnoc1)C1CC=CC1 306347390 345221380 /nfs/dbraw/zinc/22/13/80/345221380.db2.gz SCSWFMXQMSUUEM-UHFFFAOYSA-N 0 0 178.191 1.579 10 0 ADAERN C[C@H]1OCC[C@@]1(C)C(=O)NC1CC1 306347450 345221395 /nfs/dbraw/zinc/22/13/95/345221395.db2.gz SDLNAWAIBZHOBI-GMSGAONNSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1OCC[C@@]1(C)C(=O)NC1CC1 306347455 345221419 /nfs/dbraw/zinc/22/14/19/345221419.db2.gz SDLNAWAIBZHOBI-OIBJUYFYSA-N 0 0 183.251 1.080 10 0 ADAERN CNC(=O)C[C@@H](C)c1cccnc1 306347483 345221505 /nfs/dbraw/zinc/22/15/05/345221505.db2.gz SGMXDZYIIFJSAF-MRVPVSSYSA-N 0 0 178.235 1.321 10 0 ADAERN Cc1ncc(CN2CC(C)C2)cn1 306347682 345221757 /nfs/dbraw/zinc/22/17/57/345221757.db2.gz FOSNFHBBXYBYJR-UHFFFAOYSA-N 0 0 177.251 1.237 10 0 ADAERN O=C(NC1CC=CC1)c1ccno1 306347854 345221777 /nfs/dbraw/zinc/22/17/77/345221777.db2.gz SJIBHOFKHKEXDL-UHFFFAOYSA-N 0 0 178.191 1.123 10 0 ADAERN CNC(=O)C[C@H](C)c1cccnc1 306347841 345221811 /nfs/dbraw/zinc/22/18/11/345221811.db2.gz SGMXDZYIIFJSAF-QMMMGPOBSA-N 0 0 178.235 1.321 10 0 ADAERN CC[C@H](CO)Nc1cc(C)c(C)nn1 306347981 345221988 /nfs/dbraw/zinc/22/19/88/345221988.db2.gz SUNNKZWPFQSXBX-SECBINFHSA-N 0 0 195.266 1.276 10 0 ADAERN CC(C)NC(=O)Oc1cccnc1N 306348483 345222417 /nfs/dbraw/zinc/22/24/17/345222417.db2.gz SLKFHNSOKVDOCG-UHFFFAOYSA-N 0 0 195.222 1.161 10 0 ADAERN CC(=O)c1c[nH]c(-c2ccc[nH]2)n1 306348875 345222504 /nfs/dbraw/zinc/22/25/04/345222504.db2.gz UOYYWJLGKDSODZ-UHFFFAOYSA-N 0 0 175.191 1.607 10 0 ADAERN COc1ccc2c(c1)OC[C@@H]2CCO 306348798 345222510 /nfs/dbraw/zinc/22/25/10/345222510.db2.gz UDNFYACGXAKJAY-QMMMGPOBSA-N 0 0 194.230 1.554 10 0 ADAERN C[C@H](NC(N)=O)c1ccoc1 306348442 345222515 /nfs/dbraw/zinc/22/25/15/345222515.db2.gz TYWHHPSHIBVYNB-YFKPBYRVSA-N 0 0 154.169 1.009 10 0 ADAERN C[C@@H]1CC=CC[C@@H]1C(=O)NC1CC1 306349196 345222839 /nfs/dbraw/zinc/22/28/39/345222839.db2.gz UROCRQYDPBLBEI-SCZZXKLOSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@@H](O)c1nc(-c2ccsc2)n[nH]1 306349070 345222899 /nfs/dbraw/zinc/22/28/99/345222899.db2.gz KRKGMZWCGNUQNQ-RXMQYKEDSA-N 0 0 195.247 1.587 10 0 ADAERN C[C@H]1CC=CC[C@H]1C(=O)NC1CC1 306349197 345222963 /nfs/dbraw/zinc/22/29/63/345222963.db2.gz UROCRQYDPBLBEI-WCBMZHEXSA-N 0 0 179.263 1.867 10 0 ADAERN Cc1occc1[C@@H]1NCCS1 306350056 345223271 /nfs/dbraw/zinc/22/32/71/345223271.db2.gz UYQSYMYVQXPADV-MRVPVSSYSA-N 0 0 169.249 1.923 10 0 ADAERN CCc1nnc(-c2cc[nH]c2)o1 306350014 345223310 /nfs/dbraw/zinc/22/33/10/345223310.db2.gz VJGAXBMTQNSFPI-UHFFFAOYSA-N 0 0 163.180 1.627 10 0 ADAERN NC(=S)c1ccncc1NCCF 306349684 345223345 /nfs/dbraw/zinc/22/33/45/345223345.db2.gz UYLAMAYLEDOVPY-UHFFFAOYSA-N 0 0 199.254 1.097 10 0 ADAERN COc1cncnc1NCC1CCC1 306349686 345223422 /nfs/dbraw/zinc/22/34/22/345223422.db2.gz UYNTTZOPQRWHSK-UHFFFAOYSA-N 0 0 193.250 1.697 10 0 ADAERN Cc1occc1[C@H]1NCCS1 306350057 345223450 /nfs/dbraw/zinc/22/34/50/345223450.db2.gz UYQSYMYVQXPADV-QMMMGPOBSA-N 0 0 169.249 1.923 10 0 ADAERN O=c1ccc(NCC2CCC2)c[nH]1 306349752 345223460 /nfs/dbraw/zinc/22/34/60/345223460.db2.gz MQIFTDNAHYPHAR-UHFFFAOYSA-N 0 0 178.235 1.999 10 0 ADAERN Oc1cnc2cc[nH]c2c1 306350444 345223831 /nfs/dbraw/zinc/22/38/31/345223831.db2.gz VZEWZNWVMWVCKP-UHFFFAOYSA-N 0 0 134.138 1.220 10 0 ADAERN C[C@@H](c1[nH]c(=O)[nH]c1N)C(C)(C)C 306350704 345223848 /nfs/dbraw/zinc/22/38/48/345223848.db2.gz MMUMJZFFKSAARE-WDSKDSINSA-N 0 0 183.255 1.118 10 0 ADAERN CC(C)CC(=O)c1cn[nH]c1 306350420 345223907 /nfs/dbraw/zinc/22/39/07/345223907.db2.gz VWGLWXXUCPETDW-UHFFFAOYSA-N 0 0 152.197 1.639 10 0 ADAERN C[C@@H]1CSC[C@H]1Nc1cncnc1 306350948 345223922 /nfs/dbraw/zinc/22/39/22/345223922.db2.gz NYXAZFAFMPXGOE-VXNVDRBHSA-N 0 0 195.291 1.640 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ccn(C)n2)[C@@H]1C 306351135 345223927 /nfs/dbraw/zinc/22/39/27/345223927.db2.gz WZNCIISMUSHYJQ-IWSPIJDZSA-N 0 0 179.267 1.877 10 0 ADAERN CC[C@@]1(NC(=O)C(C)(C)C)CCOC1 306351027 345223935 /nfs/dbraw/zinc/22/39/35/345223935.db2.gz WTJHBWXBMBINGS-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H](c1[nH]c(=O)[nH]c1N)C(C)(C)C 306350703 345223951 /nfs/dbraw/zinc/22/39/51/345223951.db2.gz MMUMJZFFKSAARE-RITPCOANSA-N 0 0 183.255 1.118 10 0 ADAERN CC1CN(c2ncc(Cl)cn2)C1 306351137 345223967 /nfs/dbraw/zinc/22/39/67/345223967.db2.gz WZSXUEBPEHNFME-UHFFFAOYSA-N 0 0 183.642 1.586 10 0 ADAERN C[C@@H](c1[nH]c(=O)[nH]c1N)C(C)(C)C 306350701 345223972 /nfs/dbraw/zinc/22/39/72/345223972.db2.gz MMUMJZFFKSAARE-NTSWFWBYSA-N 0 0 183.255 1.118 10 0 ADAERN c1ncc(CNc2csnn2)s1 306350873 345223977 /nfs/dbraw/zinc/22/39/77/345223977.db2.gz WULFPAXBKPBRSI-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN C[C@@H]1C[C@H](Nc2ccn(C)n2)[C@@H]1C 306351133 345223980 /nfs/dbraw/zinc/22/39/80/345223980.db2.gz WZNCIISMUSHYJQ-HLTSFMKQSA-N 0 0 179.267 1.877 10 0 ADAERN C[C@@H]1[C@@H](Nc2ccn(C)n2)C[C@H]1C 306351136 345223992 /nfs/dbraw/zinc/22/39/92/345223992.db2.gz WZNCIISMUSHYJQ-VGMNWLOBSA-N 0 0 179.267 1.877 10 0 ADAERN C[C@@H]1CSC[C@@H]1Nc1cncnc1 306350945 345224001 /nfs/dbraw/zinc/22/40/01/345224001.db2.gz NYXAZFAFMPXGOE-APPZFPTMSA-N 0 0 195.291 1.640 10 0 ADAERN C[C@H]1CSC[C@@H]1Nc1cncnc1 306350946 345224040 /nfs/dbraw/zinc/22/40/40/345224040.db2.gz NYXAZFAFMPXGOE-CBAPKCEASA-N 0 0 195.291 1.640 10 0 ADAERN CC1(C)COC[C@@]1(N)C(F)F 306351045 345224047 /nfs/dbraw/zinc/22/40/47/345224047.db2.gz WURLMYIVZMMVPP-SSDOTTSWSA-N 0 0 165.183 1.005 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1ccn(C)n1 306351134 345224064 /nfs/dbraw/zinc/22/40/64/345224064.db2.gz WZNCIISMUSHYJQ-HRDYMLBCSA-N 0 0 179.267 1.877 10 0 ADAERN CC[C@]1(NC(=O)C(C)(C)C)CCOC1 306351028 345224070 /nfs/dbraw/zinc/22/40/70/345224070.db2.gz WTJHBWXBMBINGS-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN C[C@H](c1[nH]c(=O)[nH]c1N)C(C)(C)C 306350702 345224090 /nfs/dbraw/zinc/22/40/90/345224090.db2.gz MMUMJZFFKSAARE-PHDIDXHHSA-N 0 0 183.255 1.118 10 0 ADAERN CC1(C)COC[C@]1(N)C(F)F 306351046 345224136 /nfs/dbraw/zinc/22/41/36/345224136.db2.gz WURLMYIVZMMVPP-ZETCQYMHSA-N 0 0 165.183 1.005 10 0 ADAERN O=C(NC1CC1)[C@H]1CC[C@@H](F)C1 306351475 345224414 /nfs/dbraw/zinc/22/44/14/345224414.db2.gz XRZROPBLVXXXGA-NKWVEPMBSA-N 0 0 171.215 1.403 10 0 ADAERN O=C(NC1CC1)[C@@H]1CC[C@@H](F)C1 306351476 345224499 /nfs/dbraw/zinc/22/44/99/345224499.db2.gz XRZROPBLVXXXGA-RNFRBKRXSA-N 0 0 171.215 1.403 10 0 ADAERN CCc1cnc(N)nc1C1CC1 306351806 345224502 /nfs/dbraw/zinc/22/45/02/345224502.db2.gz YCNJWCZHSCIGOL-UHFFFAOYSA-N 0 0 163.224 1.499 10 0 ADAERN COc1cnc([C@@H](C)C(C)C)nc1N 306351601 345224564 /nfs/dbraw/zinc/22/45/64/345224564.db2.gz XXOWBZJLNXUOSN-ZETCQYMHSA-N 0 0 195.266 1.827 10 0 ADAERN O[C@@H]1CCC[C@H]2[C@@H]1C2(Cl)Cl 306351797 345224575 /nfs/dbraw/zinc/22/45/75/345224575.db2.gz YBCGKDKQYNAZEQ-JKUQZMGJSA-N 0 0 181.062 1.951 10 0 ADAERN COc1cnc([C@H](C)C(C)C)nc1N 306351600 345224630 /nfs/dbraw/zinc/22/46/30/345224630.db2.gz XXOWBZJLNXUOSN-SSDOTTSWSA-N 0 0 195.266 1.827 10 0 ADAERN O=C(NC1CC1)[C@H]1CC[C@H](F)C1 306351474 345224661 /nfs/dbraw/zinc/22/46/61/345224661.db2.gz XRZROPBLVXXXGA-BQBZGAKWSA-N 0 0 171.215 1.403 10 0 ADAERN O=C(NC1CC1)[C@@H]1CC[C@H](F)C1 306351477 345224677 /nfs/dbraw/zinc/22/46/77/345224677.db2.gz XRZROPBLVXXXGA-RQJHMYQMSA-N 0 0 171.215 1.403 10 0 ADAERN Cc1cccc(NC2CSC2)n1 306351624 345224683 /nfs/dbraw/zinc/22/46/83/345224683.db2.gz YBLJVDALMHUKHL-UHFFFAOYSA-N 0 0 180.276 1.917 10 0 ADAERN O[C@@H]1CCC[C@@H]2[C@H]1C2(Cl)Cl 306351796 345224695 /nfs/dbraw/zinc/22/46/95/345224695.db2.gz YBCGKDKQYNAZEQ-HSUXUTPPSA-N 0 0 181.062 1.951 10 0 ADAERN CC[NH2+][C@]1(C(=O)[O-])CCC1(C)C 306352043 345224938 /nfs/dbraw/zinc/22/49/38/345224938.db2.gz YYOFOLDFQVENOX-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN CC[NH2+][C@@]1(C(=O)[O-])CCC1(C)C 306352042 345225054 /nfs/dbraw/zinc/22/50/54/345225054.db2.gz YYOFOLDFQVENOX-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN Cc1cnc(NCC[C@H](C)F)nc1 306352013 345225109 /nfs/dbraw/zinc/22/51/09/345225109.db2.gz YVBBCSPCJZCECH-QMMMGPOBSA-N 0 0 183.230 1.945 10 0 ADAERN Cc1cnc(NCC[C@@H](C)F)nc1 306352012 345225121 /nfs/dbraw/zinc/22/51/21/345225121.db2.gz YVBBCSPCJZCECH-MRVPVSSYSA-N 0 0 183.230 1.945 10 0 ADAERN CC[C@@]1(C2CCC2)COCC(=O)N1 306352436 345225131 /nfs/dbraw/zinc/22/51/31/345225131.db2.gz AIAPMKKQAIDNGF-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@]1(C2CCC2)COCC(=O)N1 306352443 345225142 /nfs/dbraw/zinc/22/51/42/345225142.db2.gz AIAPMKKQAIDNGF-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN C/C=C(/CC)C(=O)Nc1ncc[nH]1 306352596 345225160 /nfs/dbraw/zinc/22/51/60/345225160.db2.gz ZMOIFNIRUZUXPC-CLTKARDFSA-N 0 0 179.223 1.705 10 0 ADAERN Cc1cc(C)n(-c2cccnc2)n1 306352942 345225470 /nfs/dbraw/zinc/22/54/70/345225470.db2.gz PMRVBTMAHXEFAH-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN CC1(C)CN[C@@H]1c1csnn1 306353133 345225537 /nfs/dbraw/zinc/22/55/37/345225537.db2.gz BABJYNQWJZQRLD-ZCFIWIBFSA-N 0 0 169.253 1.209 10 0 ADAERN Nc1cc(F)cc(N2CCC2)c1 306352802 345225584 /nfs/dbraw/zinc/22/55/84/345225584.db2.gz OHNAZSYRTUQBMB-UHFFFAOYSA-N 0 0 166.199 1.618 10 0 ADAERN CCn1c(=O)[nH]c(=O)c2sccc21 306353326 345225599 /nfs/dbraw/zinc/22/55/99/345225599.db2.gz PKVLOXUKWNLUNA-UHFFFAOYSA-N 0 0 196.231 1.184 10 0 ADAERN Cc1cc(NCCO)c(F)cc1N 306352784 345225604 /nfs/dbraw/zinc/22/56/04/345225604.db2.gz ABZAOTRVURXNAY-UHFFFAOYSA-N 0 0 184.214 1.121 10 0 ADAERN c1n[nH]cc1NC[C@H]1CCCSC1 306353316 345225611 /nfs/dbraw/zinc/22/56/11/345225611.db2.gz PHIYSDDQZOPUGF-MRVPVSSYSA-N 0 0 197.307 1.965 10 0 ADAERN c1n[nH]cc1NC[C@@H]1CCCSC1 306353317 345225667 /nfs/dbraw/zinc/22/56/67/345225667.db2.gz PHIYSDDQZOPUGF-QMMMGPOBSA-N 0 0 197.307 1.965 10 0 ADAERN CC1(C)CN[C@H]1c1csnn1 306353132 345225673 /nfs/dbraw/zinc/22/56/73/345225673.db2.gz BABJYNQWJZQRLD-LURJTMIESA-N 0 0 169.253 1.209 10 0 ADAERN CC(C)NC(=O)N1[C@@H](C)C[C@H]1C 306353895 345225838 /nfs/dbraw/zinc/22/58/38/345225838.db2.gz BHCRCKMYDZJICD-OCAPTIKFSA-N 0 0 170.256 1.587 10 0 ADAERN CC(C)NC(=O)N1[C@@H](C)C[C@@H]1C 306353901 345225855 /nfs/dbraw/zinc/22/58/55/345225855.db2.gz BHCRCKMYDZJICD-YUMQZZPRSA-N 0 0 170.256 1.587 10 0 ADAERN Nc1ccc(=O)[nH]c1Br 306354097 345226081 /nfs/dbraw/zinc/22/60/81/345226081.db2.gz QMCWNRGEIFTTHR-UHFFFAOYSA-N 0 0 189.012 1.132 10 0 ADAERN CC(C)NC(=O)N1[C@H](C)C[C@H]1C 306353890 345226111 /nfs/dbraw/zinc/22/61/11/345226111.db2.gz BHCRCKMYDZJICD-HTQZYQBOSA-N 0 0 170.256 1.587 10 0 ADAERN CC(F)(F)Cc1nnc(Cl)o1 306354709 345226515 /nfs/dbraw/zinc/22/65/15/345226515.db2.gz SCZMLNRGQFCCKC-UHFFFAOYSA-N 0 0 182.557 1.921 10 0 ADAERN Cc1cnc(N)nc1C1CCC1 306354606 345226532 /nfs/dbraw/zinc/22/65/32/345226532.db2.gz BRLMTDHRGQAGFK-UHFFFAOYSA-N 0 0 163.224 1.635 10 0 ADAERN CCNc1nc(C)nc(C)c1OC 306354696 345226663 /nfs/dbraw/zinc/22/66/63/345226663.db2.gz RYFHRENPKSADAJ-UHFFFAOYSA-N 0 0 181.239 1.534 10 0 ADAERN Nc1ccnc(OC2CCCC2)c1N 306355251 345227304 /nfs/dbraw/zinc/22/73/04/345227304.db2.gz RSPHSZDGXPQPMC-UHFFFAOYSA-N 0 0 193.250 1.567 10 0 ADAERN O=C(Nc1cc[nH]n1)OC1CCC1 306354968 345227318 /nfs/dbraw/zinc/22/73/18/345227318.db2.gz IAYKALGDVCMHMV-UHFFFAOYSA-N 0 0 181.195 1.511 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@H]1SC 306356134 345227537 /nfs/dbraw/zinc/22/75/37/345227537.db2.gz KCACIGKAPQZKPO-RNFRBKRXSA-N 0 0 173.281 1.407 10 0 ADAERN Cc1nc([C@H](N)c2ccoc2)co1 306356136 345227538 /nfs/dbraw/zinc/22/75/38/345227538.db2.gz KCBHZXIQHXQBJR-SECBINFHSA-N 0 0 178.191 1.624 10 0 ADAERN Cc1cncc(NC[C@@H]2C[C@H]2C)n1 306356438 345227542 /nfs/dbraw/zinc/22/75/42/345227542.db2.gz KLMWQHZTJIAVEP-APPZFPTMSA-N 0 0 177.251 1.853 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@@H]1SC 306356135 345227550 /nfs/dbraw/zinc/22/75/50/345227550.db2.gz KCACIGKAPQZKPO-RQJHMYQMSA-N 0 0 173.281 1.407 10 0 ADAERN CCC(=O)N[C@H]1CC[C@@H]1SC 306356132 345227565 /nfs/dbraw/zinc/22/75/65/345227565.db2.gz KCACIGKAPQZKPO-BQBZGAKWSA-N 0 0 173.281 1.407 10 0 ADAERN CC1(C)OC[C@@H](CC(F)F)C1=O 306355652 345227636 /nfs/dbraw/zinc/22/76/36/345227636.db2.gz WERQOEZHCYWQBT-RXMQYKEDSA-N 0 0 178.178 1.636 10 0 ADAERN CCC(=O)N[C@H]1CC[C@H]1SC 306356133 345227697 /nfs/dbraw/zinc/22/76/97/345227697.db2.gz KCACIGKAPQZKPO-NKWVEPMBSA-N 0 0 173.281 1.407 10 0 ADAERN Cc1cncc(NC[C@@H]2C[C@@H]2C)n1 306356439 345227735 /nfs/dbraw/zinc/22/77/35/345227735.db2.gz KLMWQHZTJIAVEP-CBAPKCEASA-N 0 0 177.251 1.853 10 0 ADAERN CC1(C)OC[C@H](CC(F)F)C1=O 306355653 345227758 /nfs/dbraw/zinc/22/77/58/345227758.db2.gz WERQOEZHCYWQBT-YFKPBYRVSA-N 0 0 178.178 1.636 10 0 ADAERN Cc1ccc(N2CCC2)c(N)c1 306355854 345227778 /nfs/dbraw/zinc/22/77/78/345227778.db2.gz SGAQNZUSLADNIA-UHFFFAOYSA-N 0 0 162.236 1.787 10 0 ADAERN Cc1nc([C@@H](N)c2ccoc2)co1 306356137 345227792 /nfs/dbraw/zinc/22/77/92/345227792.db2.gz KCBHZXIQHXQBJR-VIFPVBQESA-N 0 0 178.191 1.624 10 0 ADAERN Cc1ccnc(N2CCC2(C)C)n1 306357189 345228059 /nfs/dbraw/zinc/22/80/59/345228059.db2.gz UXTQJAQKFFJIML-UHFFFAOYSA-N 0 0 177.251 1.774 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cncc(N)c1 306357029 345228064 /nfs/dbraw/zinc/22/80/64/345228064.db2.gz UPSIKNWJGGTURE-GMSGAONNSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cncc(N)c1 306357033 345228155 /nfs/dbraw/zinc/22/81/55/345228155.db2.gz UPSIKNWJGGTURE-XCBNKYQSSA-N 0 0 177.251 1.874 10 0 ADAERN NNc1ccc(C2CC2)cc1 306356876 345228202 /nfs/dbraw/zinc/22/82/02/345228202.db2.gz UCUQWSXSCAJAHO-UHFFFAOYSA-N 0 0 148.209 1.850 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cncc(N)c1 306357031 345228205 /nfs/dbraw/zinc/22/82/05/345228205.db2.gz UPSIKNWJGGTURE-OIBJUYFYSA-N 0 0 177.251 1.874 10 0 ADAERN Oc1cccnc1-c1ccsn1 306356590 345228306 /nfs/dbraw/zinc/22/83/06/345228306.db2.gz YENVQISLQHTCGP-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cncc(N)c1 306357034 345228325 /nfs/dbraw/zinc/22/83/25/345228325.db2.gz UPSIKNWJGGTURE-XVKPBYJWSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1cc(NCC2(F)CC2)nn1C 306357174 345228390 /nfs/dbraw/zinc/22/83/90/345228390.db2.gz DRGMLMWCXDVMKM-UHFFFAOYSA-N 0 0 183.230 1.643 10 0 ADAERN CNc1nccc(N[C@@H]2CC[C@@H]2C)n1 306357969 345228701 /nfs/dbraw/zinc/22/87/01/345228701.db2.gz WUEJQNVNRUAAHO-JGVFFNPUSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)c1occc1N 306357377 345228748 /nfs/dbraw/zinc/22/87/48/345228748.db2.gz VRGMVFCQRKEFHX-NKWVEPMBSA-N 0 0 194.234 1.248 10 0 ADAERN CNc1nccc(N[C@H]2CC[C@@H]2C)n1 306357971 345228791 /nfs/dbraw/zinc/22/87/91/345228791.db2.gz WUEJQNVNRUAAHO-YUMQZZPRSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1nccc(N[C@H]2CC[C@H]2C)n1 306357970 345228809 /nfs/dbraw/zinc/22/88/09/345228809.db2.gz WUEJQNVNRUAAHO-SFYZADRCSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1nccc(N[C@@H]2CC[C@H]2C)n1 306357968 345228830 /nfs/dbraw/zinc/22/88/30/345228830.db2.gz WUEJQNVNRUAAHO-HTQZYQBOSA-N 0 0 192.266 1.729 10 0 ADAERN Cn1cnc(-c2ncccc2O)c1 306357771 345228846 /nfs/dbraw/zinc/22/88/46/345228846.db2.gz WRBTTXMGHCDTOC-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)c1occc1N 306357376 345228862 /nfs/dbraw/zinc/22/88/62/345228862.db2.gz VRGMVFCQRKEFHX-BQBZGAKWSA-N 0 0 194.234 1.248 10 0 ADAERN CC1(C)OC[C@@H](CC2CC2)[C@H]1O 306358244 345229231 /nfs/dbraw/zinc/22/92/31/345229231.db2.gz YLLZKMAPUPUNQT-RKDXNWHRSA-N 0 0 170.252 1.572 10 0 ADAERN CCc1cnc(N2CC[C@H](O)C2)s1 306358671 345229232 /nfs/dbraw/zinc/22/92/32/345229232.db2.gz AECGDSIMORFVTA-ZETCQYMHSA-N 0 0 198.291 1.277 10 0 ADAERN O=C1OCC[C@H]1Nc1ccc(F)cc1 306358565 345229284 /nfs/dbraw/zinc/22/92/84/345229284.db2.gz ZTUWDMZFZYTAJL-SECBINFHSA-N 0 0 195.193 1.553 10 0 ADAERN CCc1nnc(NC(C)(C)C)n1C 306358704 345229297 /nfs/dbraw/zinc/22/92/97/345229297.db2.gz BHYUNLQPZZPXEI-UHFFFAOYSA-N 0 0 182.271 1.588 10 0 ADAERN O=C1OCC[C@@H]1Nc1ccc(F)cc1 306358566 345229356 /nfs/dbraw/zinc/22/93/56/345229356.db2.gz ZTUWDMZFZYTAJL-VIFPVBQESA-N 0 0 195.193 1.553 10 0 ADAERN C/C=C/CNc1ccn(C)c(=O)c1 306358441 345229399 /nfs/dbraw/zinc/22/93/99/345229399.db2.gz YWKUEKVDVMFRSX-ONEGZZNKSA-N 0 0 178.235 1.373 10 0 ADAERN CC1(C)OC[C@H](CC2CC2)[C@H]1O 306358242 345229402 /nfs/dbraw/zinc/22/94/02/345229402.db2.gz YLLZKMAPUPUNQT-DTWKUNHWSA-N 0 0 170.252 1.572 10 0 ADAERN Cc1cncc(NC[C@H]2C[C@H]2C)n1 306358605 345229480 /nfs/dbraw/zinc/22/94/80/345229480.db2.gz KLMWQHZTJIAVEP-VXNVDRBHSA-N 0 0 177.251 1.853 10 0 ADAERN Clc1ccc(CN2CCCO2)cn1 306358222 345229489 /nfs/dbraw/zinc/22/94/89/345229489.db2.gz YHWNGDYJPYZCEV-UHFFFAOYSA-N 0 0 198.653 1.872 10 0 ADAERN CC1(C)OC[C@@H](CC2CC2)[C@@H]1O 306358241 345229607 /nfs/dbraw/zinc/22/96/07/345229607.db2.gz YLLZKMAPUPUNQT-BDAKNGLRSA-N 0 0 170.252 1.572 10 0 ADAERN Cc1c[nH]nc1-c1noc(N)c1C 306358065 345229616 /nfs/dbraw/zinc/22/96/16/345229616.db2.gz YLJHTTCLVRMCLL-UHFFFAOYSA-N 0 0 178.195 1.264 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ncncc1N 306358831 345229843 /nfs/dbraw/zinc/22/98/43/345229843.db2.gz BNTUCCCNODUIDD-POYBYMJQSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ncncc1N 306358828 345229816 /nfs/dbraw/zinc/22/98/16/345229816.db2.gz BNTUCCCNODUIDD-HTRCEHHLSA-N 0 0 178.239 1.269 10 0 ADAERN NNCc1ccc2cnccc2c1 306358880 345229846 /nfs/dbraw/zinc/22/98/46/345229846.db2.gz ADZOHQDVEBUHLX-UHFFFAOYSA-N 0 0 173.219 1.198 10 0 ADAERN Cc1ccc(N2CCC2)cc1N 306359169 345229863 /nfs/dbraw/zinc/22/98/63/345229863.db2.gz CLDHNGRIHDZEGB-UHFFFAOYSA-N 0 0 162.236 1.787 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C(C)(C)F 306359122 345229897 /nfs/dbraw/zinc/22/98/97/345229897.db2.gz BNHWCXHZKIDETF-PHDIDXHHSA-N 0 0 159.204 1.259 10 0 ADAERN COc1cnc([C@H]2C[C@H]2C)[nH]c1=O 306358837 345229901 /nfs/dbraw/zinc/22/99/01/345229901.db2.gz AOYBRZMVUTUNTM-RITPCOANSA-N 0 0 180.207 1.314 10 0 ADAERN COc1cnc([C@@H]2C[C@@H]2C)[nH]c1=O 306358830 345229948 /nfs/dbraw/zinc/22/99/48/345229948.db2.gz AOYBRZMVUTUNTM-NTSWFWBYSA-N 0 0 180.207 1.314 10 0 ADAERN COc1cnc([C@H]2C[C@@H]2C)[nH]c1=O 306358840 345229965 /nfs/dbraw/zinc/22/99/65/345229965.db2.gz AOYBRZMVUTUNTM-WDSKDSINSA-N 0 0 180.207 1.314 10 0 ADAERN COc1cnc([C@@H]2C[C@H]2C)[nH]c1=O 306358833 345229986 /nfs/dbraw/zinc/22/99/86/345229986.db2.gz AOYBRZMVUTUNTM-PHDIDXHHSA-N 0 0 180.207 1.314 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ncncc1N 306358834 345230006 /nfs/dbraw/zinc/23/00/06/345230006.db2.gz BNTUCCCNODUIDD-XPUUQOCRSA-N 0 0 178.239 1.269 10 0 ADAERN Cc1ccc(C(=O)N2CC2)c(F)c1 306359399 345230071 /nfs/dbraw/zinc/23/00/71/345230071.db2.gz CJHSSUHNVPRRKM-UHFFFAOYSA-N 0 0 179.194 1.590 10 0 ADAERN Cc1nc(-c2nccc(N)n2)co1 306359261 345230081 /nfs/dbraw/zinc/23/00/81/345230081.db2.gz LAOHNAAKTOJRRC-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)NC1(C(F)F)CC1 306358852 345230121 /nfs/dbraw/zinc/23/01/21/345230121.db2.gz APFWPLGFJOUCIK-PHDIDXHHSA-N 0 0 189.205 1.556 10 0 ADAERN CCC1(C)CN(c2cccnn2)C1 306359219 345230132 /nfs/dbraw/zinc/23/01/32/345230132.db2.gz KXJDWDRMZFUIJX-UHFFFAOYSA-N 0 0 177.251 1.713 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ncncc1N 306358832 345230154 /nfs/dbraw/zinc/23/01/54/345230154.db2.gz BNTUCCCNODUIDD-SVRRBLITSA-N 0 0 178.239 1.269 10 0 ADAERN FC(F)(F)Oc1c[nH]c(=S)cn1 306360459 345230475 /nfs/dbraw/zinc/23/04/75/345230475.db2.gz AVGKIHQTPHKGKS-UHFFFAOYSA-N 0 0 196.153 1.664 10 0 ADAERN CNC(=O)Cc1ccc(C)nc1Cl 306360451 345230526 /nfs/dbraw/zinc/23/05/26/345230526.db2.gz AUFNRHBTKPQPTO-UHFFFAOYSA-N 0 0 198.653 1.332 10 0 ADAERN CNc1cnc(-c2cscn2)cn1 306359869 345230546 /nfs/dbraw/zinc/23/05/46/345230546.db2.gz CNBBUYZBTDINIR-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN O=C(c1cn[nH]c1)C1CCCC1 306360417 345230581 /nfs/dbraw/zinc/23/05/81/345230581.db2.gz AIVOCDJSAVMTSF-UHFFFAOYSA-N 0 0 164.208 1.783 10 0 ADAERN CC1CC(N2CC(F)C2)C1 306359889 345230647 /nfs/dbraw/zinc/23/06/47/345230647.db2.gz LOWOANMMAUGJLV-UHFFFAOYSA-N 0 0 143.205 1.439 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]12CC(=O)CCO2 306359768 345230650 /nfs/dbraw/zinc/23/06/50/345230650.db2.gz CHABSNHGQFFEBH-KHQFGBGNSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@H]1[C@H](C)C[C@]12CC(=O)CCO2 306359774 345230788 /nfs/dbraw/zinc/23/07/88/345230788.db2.gz CHABSNHGQFFEBH-WEDXCCLWSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1C[C@]2(CC(=O)CCO2)[C@@H]1C 306359770 345230799 /nfs/dbraw/zinc/23/07/99/345230799.db2.gz CHABSNHGQFFEBH-MRTMQBJTSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1C[C@@]2(CC(=O)CCO2)[C@@H]1C 306359772 345230846 /nfs/dbraw/zinc/23/08/46/345230846.db2.gz CHABSNHGQFFEBH-NQMVMOMDSA-N 0 0 168.236 1.781 10 0 ADAERN CCC[C@@H]1CNC(=O)c2cccn21 306361119 345231119 /nfs/dbraw/zinc/23/11/19/345231119.db2.gz OFFVHKUMMNRIFJ-MRVPVSSYSA-N 0 0 178.235 1.573 10 0 ADAERN CCc1c(N)noc1C1(C)CC1 306360643 345231148 /nfs/dbraw/zinc/23/11/48/345231148.db2.gz BMKGHTUBKPEWFC-UHFFFAOYSA-N 0 0 166.224 1.871 10 0 ADAERN OCc1ccncc1NC1CSC1 306360815 345231157 /nfs/dbraw/zinc/23/11/57/345231157.db2.gz NIAWNEOPINKVMV-UHFFFAOYSA-N 0 0 196.275 1.101 10 0 ADAERN CC(C)[C@@H](C)c1nsc(N)n1 306360648 345231220 /nfs/dbraw/zinc/23/12/20/345231220.db2.gz BOHXVLFIJKPAAI-RXMQYKEDSA-N 0 0 171.269 1.880 10 0 ADAERN FC1CCC([NH2+]C2COC2)CC1 306361185 345231226 /nfs/dbraw/zinc/23/12/26/345231226.db2.gz OLNKSHVIEJLCKG-UHFFFAOYSA-N 0 0 173.231 1.256 10 0 ADAERN CCC[C@H]1CNC(=O)c2cccn21 306361120 345231231 /nfs/dbraw/zinc/23/12/31/345231231.db2.gz OFFVHKUMMNRIFJ-QMMMGPOBSA-N 0 0 178.235 1.573 10 0 ADAERN CC(C)[C@H](C)c1nsc(N)n1 306360649 345231456 /nfs/dbraw/zinc/23/14/56/345231456.db2.gz BOHXVLFIJKPAAI-YFKPBYRVSA-N 0 0 171.269 1.880 10 0 ADAERN CN(C#N)C(=O)c1ccc(F)cc1 306361512 345232079 /nfs/dbraw/zinc/23/20/79/345232079.db2.gz PNQTXQZBRMJNIS-UHFFFAOYSA-N 0 0 178.166 1.379 10 0 ADAERN CCc1ncc(NC(=O)OC)cn1 306362208 345232406 /nfs/dbraw/zinc/23/24/06/345232406.db2.gz RSTHMRXCRYPSKP-UHFFFAOYSA-N 0 0 181.195 1.217 10 0 ADAERN Cc1ccc([C@@H](CO)NO)cc1 306363346 345232909 /nfs/dbraw/zinc/23/29/09/345232909.db2.gz XQPOGWOJMNAYTQ-SECBINFHSA-N 0 0 167.208 1.007 10 0 ADAERN c1cnc(N[C@@H]2[C@H]3CCC[C@H]32)nc1 306363307 345232923 /nfs/dbraw/zinc/23/29/23/345232923.db2.gz XKYULHSYRKHRLK-BRPSZJMVSA-N 0 0 175.235 1.687 10 0 ADAERN Nc1nc(OC2CCC2)ncc1F 306363071 345233029 /nfs/dbraw/zinc/23/30/29/345233029.db2.gz WHFVXTQKAWJHAG-UHFFFAOYSA-N 0 0 183.186 1.129 10 0 ADAERN CNC(=O)c1sc2nccn2c1C 306363297 345233038 /nfs/dbraw/zinc/23/30/38/345233038.db2.gz XKINCXUWBWFIPU-UHFFFAOYSA-N 0 0 195.247 1.064 10 0 ADAERN C[C@@]1(F)CCN(C(=O)C(F)(F)F)C1 306363544 345233686 /nfs/dbraw/zinc/23/36/86/345233686.db2.gz YKCRCSVWADUPRR-ZCFIWIBFSA-N 0 0 199.147 1.509 10 0 ADAERN C[C@]1(F)CCN(C(=O)C(F)(F)F)C1 306363543 345233918 /nfs/dbraw/zinc/23/39/18/345233918.db2.gz YKCRCSVWADUPRR-LURJTMIESA-N 0 0 199.147 1.509 10 0 ADAERN C[S@@](=O)C[C@@H]1CC1(Cl)Cl 306364065 345234234 /nfs/dbraw/zinc/23/42/34/345234234.db2.gz ABRCSPKGHIULEE-AJAUBTJJSA-N 0 0 187.091 1.559 10 0 ADAERN COC(=O)N1CCC1(C)C 306364365 345234270 /nfs/dbraw/zinc/23/42/70/345234270.db2.gz DUMNRJNSJQTFHJ-UHFFFAOYSA-N 0 0 143.186 1.237 10 0 ADAERN O=Cc1nc([C@@H]2CCCO2)cs1 306364324 345234284 /nfs/dbraw/zinc/23/42/84/345234284.db2.gz IITNRHKKRKDYBZ-ZETCQYMHSA-N 0 0 183.232 1.807 10 0 ADAERN CCNC(=O)Cc1ccc(Cl)nc1 306364558 345234330 /nfs/dbraw/zinc/23/43/30/345234330.db2.gz AJRSXTQNBCFWJA-UHFFFAOYSA-N 0 0 198.653 1.414 10 0 ADAERN C[S@](=O)C[C@@H]1CC1(Cl)Cl 306364084 345234358 /nfs/dbraw/zinc/23/43/58/345234358.db2.gz ABRCSPKGHIULEE-IGJIYHIXSA-N 0 0 187.091 1.559 10 0 ADAERN Clc1ccc(CN2CCC2)nc1 306364097 345234440 /nfs/dbraw/zinc/23/44/40/345234440.db2.gz AFUPTZGCWVGBMT-UHFFFAOYSA-N 0 0 182.654 1.941 10 0 ADAERN OCc1csc(NC2CCCC2)n1 306364054 345234467 /nfs/dbraw/zinc/23/44/67/345234467.db2.gz DOPHJMAHLCBXDB-UHFFFAOYSA-N 0 0 198.291 1.990 10 0 ADAERN C1=CCN(Cc2c[nH]cn2)CC1 306364577 345234492 /nfs/dbraw/zinc/23/44/92/345234492.db2.gz GIRGVNHIDHWWLG-UHFFFAOYSA-N 0 0 163.224 1.172 10 0 ADAERN Fc1cccc(N2CC=CCC2)n1 306364225 345234530 /nfs/dbraw/zinc/23/45/30/345234530.db2.gz DSFVYLNBRJEZEL-UHFFFAOYSA-N 0 0 178.210 1.987 10 0 ADAERN C/C=C/C(=O)N1CCC(=O)[C@H](C)C1 306364147 345234535 /nfs/dbraw/zinc/23/45/35/345234535.db2.gz GAOMXVDVOBQYHF-MPJRPATESA-N 0 0 181.235 1.000 10 0 ADAERN O=Cc1nc([C@H]2CCCO2)cs1 306364311 345234598 /nfs/dbraw/zinc/23/45/98/345234598.db2.gz IITNRHKKRKDYBZ-SSDOTTSWSA-N 0 0 183.232 1.807 10 0 ADAERN C[S@@](=O)C[C@H]1CC1(Cl)Cl 306364074 345234602 /nfs/dbraw/zinc/23/46/02/345234602.db2.gz ABRCSPKGHIULEE-ALFREKQPSA-N 0 0 187.091 1.559 10 0 ADAERN CC(C)N(C)C(=O)c1cc(F)c[nH]1 306364270 345234621 /nfs/dbraw/zinc/23/46/21/345234621.db2.gz CCAWNERETOWXFG-UHFFFAOYSA-N 0 0 184.214 1.634 10 0 ADAERN C[S@](=O)C[C@H]1CC1(Cl)Cl 306364093 345234662 /nfs/dbraw/zinc/23/46/62/345234662.db2.gz ABRCSPKGHIULEE-MOFOKWOHSA-N 0 0 187.091 1.559 10 0 ADAERN C/C=C/C(=O)N1CCC(=O)[C@@H](C)C1 306364156 345234698 /nfs/dbraw/zinc/23/46/98/345234698.db2.gz GAOMXVDVOBQYHF-RTMURIBGSA-N 0 0 181.235 1.000 10 0 ADAERN C[C@H]1NC(=O)C[C@]1(C)C1CCC1 306365572 345234880 /nfs/dbraw/zinc/23/48/80/345234880.db2.gz GWCUOGYFTWUKKM-XCBNKYQSSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1NC(=O)C[C@]1(C)C1CCC1 306365573 345234989 /nfs/dbraw/zinc/23/49/89/345234989.db2.gz GWCUOGYFTWUKKM-XVKPBYJWSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]1(C)C1CCC1 306365571 345234999 /nfs/dbraw/zinc/23/49/99/345234999.db2.gz GWCUOGYFTWUKKM-OIBJUYFYSA-N 0 0 167.252 1.701 10 0 ADAERN CN(C#N)C(=O)CC1(C)CC1 306364985 345235002 /nfs/dbraw/zinc/23/50/02/345235002.db2.gz GKZROEQPKPBAKP-UHFFFAOYSA-N 0 0 152.197 1.116 10 0 ADAERN C[C@H]1NC(=O)C[C@@]1(C)C1CCC1 306365570 345235022 /nfs/dbraw/zinc/23/50/22/345235022.db2.gz GWCUOGYFTWUKKM-GMSGAONNSA-N 0 0 167.252 1.701 10 0 ADAERN CON(C)C(=O)c1c(C)coc1C 306365636 345235076 /nfs/dbraw/zinc/23/50/76/345235076.db2.gz DYOVHZSGAXPNPJ-UHFFFAOYSA-N 0 0 183.207 1.530 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cnn(C)c1 306365440 345235285 /nfs/dbraw/zinc/23/52/85/345235285.db2.gz GUCYOBFMQNQSMS-APPZFPTMSA-N 0 0 165.240 1.631 10 0 ADAERN Cc1cnc(N2CC[C@@H]2C)nc1 306365689 345235507 /nfs/dbraw/zinc/23/55/07/345235507.db2.gz FEVBTJHLXXAIRP-QMMMGPOBSA-N 0 0 163.224 1.384 10 0 ADAERN CN[C@@H](c1ccc[nH]1)C(F)F 306366161 345235525 /nfs/dbraw/zinc/23/55/25/345235525.db2.gz DDFSUMXDIMTNNS-LURJTMIESA-N 0 0 160.167 1.540 10 0 ADAERN O=c1cc[nH]c(-c2ccsn2)c1 306366140 345235553 /nfs/dbraw/zinc/23/55/53/345235553.db2.gz CXODLTMBNOAGAY-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN CC1(Nc2ncc(F)c(N)n2)CC1 306365915 345235618 /nfs/dbraw/zinc/23/56/18/345235618.db2.gz JDQIYCJYWQQXPH-UHFFFAOYSA-N 0 0 182.202 1.162 10 0 ADAERN Cc1cnc(N2CC[C@H]2C)nc1 306365688 345235742 /nfs/dbraw/zinc/23/57/42/345235742.db2.gz FEVBTJHLXXAIRP-MRVPVSSYSA-N 0 0 163.224 1.384 10 0 ADAERN C[C@@H](CF)NC(=O)Nc1cocn1 306365783 345235749 /nfs/dbraw/zinc/23/57/49/345235749.db2.gz BYNRYTXJWMWMGD-YFKPBYRVSA-N 0 0 187.174 1.154 10 0 ADAERN CCOC(=O)Nc1ccc(F)cn1 306365890 345235781 /nfs/dbraw/zinc/23/57/81/345235781.db2.gz AWMDRLPYHLRXJD-UHFFFAOYSA-N 0 0 184.170 1.789 10 0 ADAERN CN[C@H](c1ccc[nH]1)C(F)F 306366163 345235859 /nfs/dbraw/zinc/23/58/59/345235859.db2.gz DDFSUMXDIMTNNS-ZCFIWIBFSA-N 0 0 160.167 1.540 10 0 ADAERN CCC(=O)N[C@@H]1Cc2ccccc21 306366739 345235962 /nfs/dbraw/zinc/23/59/62/345235962.db2.gz HBMYTLSDOAKDOH-SNVBAGLBSA-N 0 0 175.231 1.810 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cnn(C)c1 306366276 345235968 /nfs/dbraw/zinc/23/59/68/345235968.db2.gz GUCYOBFMQNQSMS-IONNQARKSA-N 0 0 165.240 1.631 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cnn(C)c1 306366285 345236088 /nfs/dbraw/zinc/23/60/88/345236088.db2.gz GUCYOBFMQNQSMS-VXNVDRBHSA-N 0 0 165.240 1.631 10 0 ADAERN CCC(=O)N[C@H]1Cc2ccccc21 306366737 345236107 /nfs/dbraw/zinc/23/61/07/345236107.db2.gz HBMYTLSDOAKDOH-JTQLQIEISA-N 0 0 175.231 1.810 10 0 ADAERN Nc1nnc([C@@H]2CCCC2(F)F)o1 306366767 345236194 /nfs/dbraw/zinc/23/61/94/345236194.db2.gz FVCLTPPZRIKFFY-BYPYZUCNSA-N 0 0 189.165 1.555 10 0 ADAERN Nc1nnc([C@H]2CCCC2(F)F)o1 306366769 345236240 /nfs/dbraw/zinc/23/62/40/345236240.db2.gz FVCLTPPZRIKFFY-SCSAIBSYSA-N 0 0 189.165 1.555 10 0 ADAERN Nc1ccc(Cn2cccc2)cn1 306366623 345236288 /nfs/dbraw/zinc/23/62/88/345236288.db2.gz CNQRMVXGFUTPRS-UHFFFAOYSA-N 0 0 173.219 1.514 10 0 ADAERN CSc1noc(C(C)C)n1 306367708 345236536 /nfs/dbraw/zinc/23/65/36/345236536.db2.gz CAJKEJTUHQZZJP-UHFFFAOYSA-N 0 0 158.226 1.915 10 0 ADAERN Cn1ccc(NCc2cocn2)n1 306367655 345236516 /nfs/dbraw/zinc/23/65/16/345236516.db2.gz HKAOWWSMAPJJBU-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN CCC(C)(C)C(=O)N[C@@H]1CC[C@H]1O 306367528 345236531 /nfs/dbraw/zinc/23/65/31/345236531.db2.gz HEWYPGFLRVXEPE-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN COC(=O)N1C[C@@H]2CCC[C@H]21 306366996 345236534 /nfs/dbraw/zinc/23/65/34/345236534.db2.gz BJPKKTKFWXHHAA-NKWVEPMBSA-N 0 0 155.197 1.237 10 0 ADAERN COC(=O)N1C[C@H]2CCC[C@H]21 306366997 345236547 /nfs/dbraw/zinc/23/65/47/345236547.db2.gz BJPKKTKFWXHHAA-RNFRBKRXSA-N 0 0 155.197 1.237 10 0 ADAERN CC1(c2noc(C=O)n2)CCCC1 306367524 345236668 /nfs/dbraw/zinc/23/66/68/345236668.db2.gz IBTHGCXJHDBMNZ-UHFFFAOYSA-N 0 0 180.207 1.714 10 0 ADAERN COC(=O)N1C[C@H]2CCC[C@@H]21 306366998 345236696 /nfs/dbraw/zinc/23/66/96/345236696.db2.gz BJPKKTKFWXHHAA-RQJHMYQMSA-N 0 0 155.197 1.237 10 0 ADAERN NC(=S)N1CC2CCC1CC2 306367401 345236698 /nfs/dbraw/zinc/23/66/98/345236698.db2.gz CXFAHAMAEZJTBD-UHFFFAOYSA-N 0 0 170.281 1.104 10 0 ADAERN CCc1nnc(Cl)n1CCF 306367593 345236739 /nfs/dbraw/zinc/23/67/39/345236739.db2.gz HHTOYSHILMJYKI-UHFFFAOYSA-N 0 0 177.610 1.463 10 0 ADAERN COC1CN(c2cccc(Cl)n2)C1 306367425 345236754 /nfs/dbraw/zinc/23/67/54/345236754.db2.gz DBNDVZDWSMCZTA-UHFFFAOYSA-N 0 0 198.653 1.570 10 0 ADAERN CNc1n[nH]c2c1COC2(C)C 306367502 345236760 /nfs/dbraw/zinc/23/67/60/345236760.db2.gz DIGZQPCNHWUOBF-UHFFFAOYSA-N 0 0 167.212 1.217 10 0 ADAERN COC(=O)N1C[C@@H]2CCC[C@@H]21 306366995 345236802 /nfs/dbraw/zinc/23/68/02/345236802.db2.gz BJPKKTKFWXHHAA-BQBZGAKWSA-N 0 0 155.197 1.237 10 0 ADAERN O=C(NC1CC1)[C@H]1C=CCCC1 306367552 345236825 /nfs/dbraw/zinc/23/68/25/345236825.db2.gz HGDJLRWYYBTTCQ-QMMMGPOBSA-N 0 0 165.236 1.621 10 0 ADAERN O=C(NC1CC1)[C@@H]1C=CCCC1 306367550 345236868 /nfs/dbraw/zinc/23/68/68/345236868.db2.gz HGDJLRWYYBTTCQ-MRVPVSSYSA-N 0 0 165.236 1.621 10 0 ADAERN C[C@@H]1CCC[C@@H](CN2C[C@@H](O)CO2)C1 306367964 345237009 /nfs/dbraw/zinc/23/70/09/345237009.db2.gz BGEPWZWALYNJQW-GMTAPVOTSA-N 0 0 199.294 1.421 10 0 ADAERN C[C@@H]1CCC[C@H](CN2C[C@@H](O)CO2)C1 306367967 345237066 /nfs/dbraw/zinc/23/70/66/345237066.db2.gz BGEPWZWALYNJQW-OUAUKWLOSA-N 0 0 199.294 1.421 10 0 ADAERN CC1(C)OCC[C@]1(N)C(F)(F)F 306367922 345237197 /nfs/dbraw/zinc/23/71/97/345237197.db2.gz AXTMVJAILJQBDE-ZCFIWIBFSA-N 0 0 183.173 1.445 10 0 ADAERN C[C@H]1CC[C@H]1n1c(CO)c[nH]c1=S 306368043 345237210 /nfs/dbraw/zinc/23/72/10/345237210.db2.gz ASXUUZGBHZBCHV-POYBYMJQSA-N 0 0 198.291 1.635 10 0 ADAERN CC1(C)OCC[C@@]1(N)C(F)(F)F 306367921 345237225 /nfs/dbraw/zinc/23/72/25/345237225.db2.gz AXTMVJAILJQBDE-LURJTMIESA-N 0 0 183.173 1.445 10 0 ADAERN C[C@H]1CC[C@@H]1n1c(CO)c[nH]c1=S 306368049 345237315 /nfs/dbraw/zinc/23/73/15/345237315.db2.gz ASXUUZGBHZBCHV-XPUUQOCRSA-N 0 0 198.291 1.635 10 0 ADAERN CCC(=O)N1CC2(CCOCC2)C1 306368073 345237357 /nfs/dbraw/zinc/23/73/57/345237357.db2.gz KJNHNJZMAXXDOT-UHFFFAOYSA-N 0 0 183.251 1.035 10 0 ADAERN C[C@@H]1CC[C@@H]1n1c(CO)c[nH]c1=S 306368046 345237364 /nfs/dbraw/zinc/23/73/64/345237364.db2.gz ASXUUZGBHZBCHV-SVRRBLITSA-N 0 0 198.291 1.635 10 0 ADAERN C[C@@H]1CC[C@H]1n1c(CO)c[nH]c1=S 306368040 345237409 /nfs/dbraw/zinc/23/74/09/345237409.db2.gz ASXUUZGBHZBCHV-HTRCEHHLSA-N 0 0 198.291 1.635 10 0 ADAERN O=C(c1csnn1)c1ccc[nH]1 306368528 345237802 /nfs/dbraw/zinc/23/78/02/345237802.db2.gz HXMKTIJZQKSPJA-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN CON(C)c1cc(F)c(F)cc1N 306368361 345237993 /nfs/dbraw/zinc/23/79/93/345237993.db2.gz JVYWETORAQAWLB-UHFFFAOYSA-N 0 0 188.177 1.545 10 0 ADAERN CCc1nnc(C2CC(=O)C2)o1 306369173 345238313 /nfs/dbraw/zinc/23/83/13/345238313.db2.gz IDWCPPWEAXLTGR-UHFFFAOYSA-N 0 0 166.180 1.079 10 0 ADAERN C[C@H](SC(F)(F)F)C(N)=O 306369699 345238481 /nfs/dbraw/zinc/23/84/81/345238481.db2.gz BVLBRVKMFFCQCZ-REOHCLBHSA-N 0 0 173.159 1.113 10 0 ADAERN C[C@@H](SC(F)(F)F)C(N)=O 306369700 345238525 /nfs/dbraw/zinc/23/85/25/345238525.db2.gz BVLBRVKMFFCQCZ-UWTATZPHSA-N 0 0 173.159 1.113 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2ccsn2)CO1 306370124 345239008 /nfs/dbraw/zinc/23/90/08/345239008.db2.gz GCBXDVTYAREAKU-RNFRBKRXSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2ccsn2)CO1 306370121 345238915 /nfs/dbraw/zinc/23/89/15/345238915.db2.gz GCBXDVTYAREAKU-NKWVEPMBSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2ccsn2)CO1 306370116 345239004 /nfs/dbraw/zinc/23/90/04/345239004.db2.gz GCBXDVTYAREAKU-BQBZGAKWSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@H](O)CNc1csc(Cl)n1 306370754 345239028 /nfs/dbraw/zinc/23/90/28/345239028.db2.gz NYDDFYOUMNKDSM-BYPYZUCNSA-N 0 0 192.671 1.589 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2ccsn2)CO1 306370130 345239339 /nfs/dbraw/zinc/23/93/39/345239339.db2.gz GCBXDVTYAREAKU-RQJHMYQMSA-N 0 0 197.259 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NC(=O)N[C@@H]1CCC[C@@H]1C(F)(F)F 306374785 345242070 /nfs/dbraw/zinc/24/20/70/345242070.db2.gz WDYZGPKEABYIQL-CRCLSJGQSA-N 0 0 196.172 1.386 10 0 ADAERN NC(=O)N[C@@H]1CCC[C@H]1C(F)(F)F 306374788 345242148 /nfs/dbraw/zinc/24/21/48/345242148.db2.gz WDYZGPKEABYIQL-RFZPGFLSSA-N 0 0 196.172 1.386 10 0 ADAERN Cn1nncc1N[C@@H]1CCC1(C)C 306375051 345242150 /nfs/dbraw/zinc/24/21/50/345242150.db2.gz PUPCGKBQGWJTHB-SSDOTTSWSA-N 0 0 180.255 1.416 10 0 ADAERN CC[C@H]1Nc2cnccc2NC1=O 306375077 345242193 /nfs/dbraw/zinc/24/21/93/345242193.db2.gz LQQYKHZQZFOVHT-ZCFIWIBFSA-N 0 0 177.207 1.224 10 0 ADAERN CC[C@@H]1Nc2cnccc2NC1=O 306375076 345242198 /nfs/dbraw/zinc/24/21/98/345242198.db2.gz LQQYKHZQZFOVHT-LURJTMIESA-N 0 0 177.207 1.224 10 0 ADAERN c1cnc(N[C@H]2C[C@@H]2C2CC2)cn1 306375746 345242555 /nfs/dbraw/zinc/24/25/55/345242555.db2.gz MEGAWWZLEJCRCB-BDAKNGLRSA-N 0 0 175.235 1.687 10 0 ADAERN c1cnc(N[C@@H]2C[C@H]2C2CC2)cn1 306375747 345242625 /nfs/dbraw/zinc/24/26/25/345242625.db2.gz 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CC(C)(F)C(=O)c1ccc[nH]1 306376162 345243448 /nfs/dbraw/zinc/24/34/48/345243448.db2.gz VAAVMLIWRGGBFP-UHFFFAOYSA-N 0 0 155.172 1.946 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)N[C@@H]1C[C@H]1C 306376720 345243711 /nfs/dbraw/zinc/24/37/11/345243711.db2.gz VVTQSOFVJJEAMU-FNCVBFRFSA-N 0 0 182.267 1.350 10 0 ADAERN CC(C)[C@@H](C)[C@@H]1NC(=O)C12CCC2 306376699 345243751 /nfs/dbraw/zinc/24/37/51/345243751.db2.gz VORNADZCFQVJCG-BDAKNGLRSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)[C@H](C)c1oc(=O)[nH]c1N 306377101 345243754 /nfs/dbraw/zinc/24/37/54/345243754.db2.gz LGAUCBTUFOTTPA-WDSKDSINSA-N 0 0 170.212 1.155 10 0 ADAERN FCCCNc1ncccn1 306377263 345243837 /nfs/dbraw/zinc/24/38/37/345243837.db2.gz FDKRJXCZIKJSHB-UHFFFAOYSA-N 0 0 155.176 1.248 10 0 ADAERN CC(C)[C@@H](C)c1oc(=O)[nH]c1N 306377088 345243844 /nfs/dbraw/zinc/24/38/44/345243844.db2.gz LGAUCBTUFOTTPA-RITPCOANSA-N 0 0 170.212 1.155 10 0 ADAERN CC(C)[C@H](C)c1oc(=O)[nH]c1N 306377061 345243848 /nfs/dbraw/zinc/24/38/48/345243848.db2.gz LGAUCBTUFOTTPA-NTSWFWBYSA-N 0 0 170.212 1.155 10 0 ADAERN CC(C)[C@@H](C)[C@H]1NC(=O)C12CCC2 306376702 345243937 /nfs/dbraw/zinc/24/39/37/345243937.db2.gz VORNADZCFQVJCG-RKDXNWHRSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)[C@H](C)[C@@H]1NC(=O)C12CCC2 306376701 345243960 /nfs/dbraw/zinc/24/39/60/345243960.db2.gz VORNADZCFQVJCG-IUCAKERBSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)[C@@H](C)c1oc(=O)[nH]c1N 306377073 345243984 /nfs/dbraw/zinc/24/39/84/345243984.db2.gz LGAUCBTUFOTTPA-PHDIDXHHSA-N 0 0 170.212 1.155 10 0 ADAERN Cc1c[nH]nc1[C@]1(O)[C@H]2CCC[C@H]21 306376789 345243987 /nfs/dbraw/zinc/24/39/87/345243987.db2.gz WNCVKUQWOLSSQP-DIYOJNKTSA-N 0 0 178.235 1.336 10 0 ADAERN OCc1cnc(N2CCC2)c(Cl)c1 306376919 345243990 /nfs/dbraw/zinc/24/39/90/345243990.db2.gz DKMJEYGWJWEOBJ-UHFFFAOYSA-N 0 0 198.653 1.437 10 0 ADAERN CC(C)[C@H](C)[C@H]1NC(=O)C12CCC2 306376700 345243997 /nfs/dbraw/zinc/24/39/97/345243997.db2.gz VORNADZCFQVJCG-DTWKUNHWSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@]1([C@@H]2C[C@H]2C)CC(=O)NC1=O 306378111 345244309 /nfs/dbraw/zinc/24/43/09/345244309.db2.gz SKNTXQZORVYCIM-BRDIYROLSA-N 0 0 181.235 1.085 10 0 ADAERN Fc1ncnc(Br)c1F 306377784 345244312 /nfs/dbraw/zinc/24/43/12/345244312.db2.gz FZAQOGOOLDGODA-UHFFFAOYSA-N 0 0 194.966 1.517 10 0 ADAERN CC1(c2nnc(Cl)o2)CC1 306378147 345244421 /nfs/dbraw/zinc/24/44/21/345244421.db2.gz XMYOHVUWMBPRQT-UHFFFAOYSA-N 0 0 158.588 1.775 10 0 ADAERN NOc1ccc(Cl)c(F)c1 306378225 345244452 /nfs/dbraw/zinc/24/44/52/345244452.db2.gz XSDHZHPFEHYTCR-UHFFFAOYSA-N 0 0 161.563 1.732 10 0 ADAERN CC[C@]1([C@H]2C[C@@H]2C)CC(=O)NC1=O 306378115 345244464 /nfs/dbraw/zinc/24/44/64/345244464.db2.gz SKNTXQZORVYCIM-MHYGZLNHSA-N 0 0 181.235 1.085 10 0 ADAERN CC[C@]1([C@@H]2C[C@@H]2C)CC(=O)NC1=O 306378116 345244517 /nfs/dbraw/zinc/24/45/17/345244517.db2.gz SKNTXQZORVYCIM-NYNCVSEMSA-N 0 0 181.235 1.085 10 0 ADAERN CSCCSC[C@@H](C)O 306377419 345244540 /nfs/dbraw/zinc/24/45/40/345244540.db2.gz RSPFCEFNHUPSOZ-ZCFIWIBFSA-N 0 0 166.311 1.463 10 0 ADAERN CC(C(N)=O)=C1CCCC1 306377951 345244542 /nfs/dbraw/zinc/24/45/42/345244542.db2.gz NQYJPQBOQVQUBW-UHFFFAOYSA-N 0 0 139.198 1.362 10 0 ADAERN CC[C@]1([C@H]2C[C@H]2C)CC(=O)NC1=O 306378112 345244583 /nfs/dbraw/zinc/24/45/83/345244583.db2.gz SKNTXQZORVYCIM-MATHAZKKSA-N 0 0 181.235 1.085 10 0 ADAERN c1nc(N[C@H]2CCCSC2)c[nH]1 306378540 345244742 /nfs/dbraw/zinc/24/47/42/345244742.db2.gz OHULEWOBTXHETK-ZETCQYMHSA-N 0 0 183.280 1.717 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C=C1CCC1 306378754 345244769 /nfs/dbraw/zinc/24/47/69/345244769.db2.gz NMAOGCILECZFRU-VXNVDRBHSA-N 0 0 165.236 1.621 10 0 ADAERN c1nc(N[C@@H]2CCCSC2)c[nH]1 306378537 345244777 /nfs/dbraw/zinc/24/47/77/345244777.db2.gz OHULEWOBTXHETK-SSDOTTSWSA-N 0 0 183.280 1.717 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C=C1CCC1 306378751 345244804 /nfs/dbraw/zinc/24/48/04/345244804.db2.gz NMAOGCILECZFRU-APPZFPTMSA-N 0 0 165.236 1.621 10 0 ADAERN CC(=O)Nc1cc(N)c(C)cc1N 306378678 345244952 /nfs/dbraw/zinc/24/49/52/345244952.db2.gz TVXNKJABVWEIKB-UHFFFAOYSA-N 0 0 179.223 1.118 10 0 ADAERN CNC(=S)NC(C)(C)C(F)F 306378737 345245011 /nfs/dbraw/zinc/24/50/11/345245011.db2.gz NIOPQMSXPNEDRV-UHFFFAOYSA-N 0 0 182.239 1.124 10 0 ADAERN CC1(c2ncnc(N)n2)CCCC1 306378583 345245033 /nfs/dbraw/zinc/24/50/33/345245033.db2.gz ORISKYGOEGNQFV-UHFFFAOYSA-N 0 0 178.239 1.286 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)C=C1CCC1 306378752 345245110 /nfs/dbraw/zinc/24/51/10/345245110.db2.gz NMAOGCILECZFRU-CBAPKCEASA-N 0 0 165.236 1.621 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C=C1CCC1 306378753 345245136 /nfs/dbraw/zinc/24/51/36/345245136.db2.gz NMAOGCILECZFRU-IONNQARKSA-N 0 0 165.236 1.621 10 0 ADAERN C[C@H](O)c1cnnn1CC1CCCC1 306379514 345245207 /nfs/dbraw/zinc/24/52/07/345245207.db2.gz NVDUAJXBHWGHQW-QMMMGPOBSA-N 0 0 195.266 1.522 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1C(C)(C)C 306379314 345245210 /nfs/dbraw/zinc/24/52/10/345245210.db2.gz UDFVMBZVRAFNMD-XCBNKYQSSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@H]1CSc2cnccc2NC1=O 306379598 345245224 /nfs/dbraw/zinc/24/52/24/345245224.db2.gz AZQRZWRZEUCYDQ-LURJTMIESA-N 0 0 194.259 1.762 10 0 ADAERN Clc1ccn(CC2CC2)n1 306379386 345245232 /nfs/dbraw/zinc/24/52/32/345245232.db2.gz URPOURCORTZUMW-UHFFFAOYSA-N 0 0 156.616 1.947 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1C(C)(C)C 306379315 345245266 /nfs/dbraw/zinc/24/52/66/345245266.db2.gz UDFVMBZVRAFNMD-XVKPBYJWSA-N 0 0 169.268 1.947 10 0 ADAERN CCc1ncnc2sc(N)cc12 306379564 345245375 /nfs/dbraw/zinc/24/53/75/345245375.db2.gz ALLRTSIGVDADCF-UHFFFAOYSA-N 0 0 179.248 1.836 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1C(C)(C)C 306379312 345245378 /nfs/dbraw/zinc/24/53/78/345245378.db2.gz UDFVMBZVRAFNMD-GMSGAONNSA-N 0 0 169.268 1.947 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1C(C)(C)C 306379313 345245412 /nfs/dbraw/zinc/24/54/12/345245412.db2.gz UDFVMBZVRAFNMD-OIBJUYFYSA-N 0 0 169.268 1.947 10 0 ADAERN NC(=S)N1CCC(C(F)F)CC1 306379230 345245415 /nfs/dbraw/zinc/24/54/15/345245415.db2.gz ZQRTYIAFHIWCRX-UHFFFAOYSA-N 0 0 194.250 1.207 10 0 ADAERN CNc1nc(CC2CCC2)no1 306379021 345245458 /nfs/dbraw/zinc/24/54/58/345245458.db2.gz PNJZQZLHMCLSJE-UHFFFAOYSA-N 0 0 167.212 1.454 10 0 ADAERN C[C@@H]1CSc2cnccc2NC1=O 306379599 345245601 /nfs/dbraw/zinc/24/56/01/345245601.db2.gz AZQRZWRZEUCYDQ-ZCFIWIBFSA-N 0 0 194.259 1.762 10 0 ADAERN Cc1occc1[C@@H]1CC(=O)N1 306380365 345245951 /nfs/dbraw/zinc/24/59/51/345245951.db2.gz JHIOEFBRXFQJLU-ZETCQYMHSA-N 0 0 151.165 1.149 10 0 ADAERN Cc1occc1[C@H]1CC(=O)N1 306380363 345246047 /nfs/dbraw/zinc/24/60/47/345246047.db2.gz JHIOEFBRXFQJLU-SSDOTTSWSA-N 0 0 151.165 1.149 10 0 ADAERN c1csc(CNc2c[nH]cn2)n1 306380163 345246199 /nfs/dbraw/zinc/24/61/99/345246199.db2.gz ADLGTPSXHRJWAK-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN CNc1cc(C)c([C@H]2C[C@@H]2C)nn1 306381112 345246605 /nfs/dbraw/zinc/24/66/05/345246605.db2.gz LBCUGRFFKGSYLS-XPUUQOCRSA-N 0 0 177.251 1.950 10 0 ADAERN CNc1cc(C)c([C@H]2C[C@H]2C)nn1 306381111 345246704 /nfs/dbraw/zinc/24/67/04/345246704.db2.gz LBCUGRFFKGSYLS-SVRRBLITSA-N 0 0 177.251 1.950 10 0 ADAERN CNc1cc(C)c([C@@H]2C[C@@H]2C)nn1 306381110 345246782 /nfs/dbraw/zinc/24/67/82/345246782.db2.gz LBCUGRFFKGSYLS-POYBYMJQSA-N 0 0 177.251 1.950 10 0 ADAERN CNc1cc(C)c([C@@H]2C[C@H]2C)nn1 306381109 345246831 /nfs/dbraw/zinc/24/68/31/345246831.db2.gz LBCUGRFFKGSYLS-HTRCEHHLSA-N 0 0 177.251 1.950 10 0 ADAERN Cc1ccc(C2=NCCN2)nc1C 306381308 345247266 /nfs/dbraw/zinc/24/72/66/345247266.db2.gz WKWQRBVKUYYCCP-UHFFFAOYSA-N 0 0 175.235 1.048 10 0 ADAERN CC(C)N(C)C(=O)[C@@]1(C)CCCO1 306380778 345246945 /nfs/dbraw/zinc/24/69/45/345246945.db2.gz OLIIUMYWRCEBEB-SNVBAGLBSA-N 0 0 185.267 1.422 10 0 ADAERN CC(C)C(=O)[C@@H]1COCC1(C)C 306381961 345247247 /nfs/dbraw/zinc/24/72/47/345247247.db2.gz SOHGPXIRIOPDBL-QMMMGPOBSA-N 0 0 170.252 1.884 10 0 ADAERN C/C(=C1/CC(=O)NC1=O)[C@@H]1C[C@@H]1C 306381277 345247276 /nfs/dbraw/zinc/24/72/76/345247276.db2.gz WHFHXNODWPVINP-OPQUYNMJSA-N 0 0 179.219 1.005 10 0 ADAERN Nc1cccc(-c2ncno2)c1F 306381661 345247313 /nfs/dbraw/zinc/24/73/13/345247313.db2.gz LZHMNYMILQAHSX-UHFFFAOYSA-N 0 0 179.154 1.458 10 0 ADAERN COc1cnc(NC(C)(C)C)nc1 306381293 345247314 /nfs/dbraw/zinc/24/73/14/345247314.db2.gz WJHYDTDYCZGEKS-UHFFFAOYSA-N 0 0 181.239 1.696 10 0 ADAERN C[C@@H]1C[C@H]1Nc1noc(C2CC2)n1 306381755 345247330 /nfs/dbraw/zinc/24/73/30/345247330.db2.gz XWYMWPFQEFOLTP-IYSWYEEDSA-N 0 0 179.223 1.767 10 0 ADAERN CC(C)C(=O)[C@H]1COCC1(C)C 306381960 345247364 /nfs/dbraw/zinc/24/73/64/345247364.db2.gz SOHGPXIRIOPDBL-MRVPVSSYSA-N 0 0 170.252 1.884 10 0 ADAERN Clc1ccc(CN2CCC2)nn1 306381285 345247377 /nfs/dbraw/zinc/24/73/77/345247377.db2.gz WHKQOBOZOCNLPD-UHFFFAOYSA-N 0 0 183.642 1.336 10 0 ADAERN NC(=S)Cc1cccc(N)c1 306382028 345247408 /nfs/dbraw/zinc/24/74/08/345247408.db2.gz WVVVXZZHJBXGND-UHFFFAOYSA-N 0 0 166.249 1.097 10 0 ADAERN Cc1nnc(N2CC[C@@H](C)[C@H]2C)o1 306381825 345247521 /nfs/dbraw/zinc/24/75/21/345247521.db2.gz AHIMHLPUOCRTBT-RNFRBKRXSA-N 0 0 181.239 1.613 10 0 ADAERN CNC(=O)NCC1(F)CCCC1 306381551 345247533 /nfs/dbraw/zinc/24/75/33/345247533.db2.gz OYHXBZQFLWHYMS-UHFFFAOYSA-N 0 0 174.219 1.198 10 0 ADAERN C/C(=C1/CC(=O)NC1=O)[C@@H]1C[C@H]1C 306381276 345247559 /nfs/dbraw/zinc/24/75/59/345247559.db2.gz WHFHXNODWPVINP-HXQFRQHCSA-N 0 0 179.219 1.005 10 0 ADAERN CNC(=O)NCC1(F)CCCCC1 306382664 345248057 /nfs/dbraw/zinc/24/80/57/345248057.db2.gz PMLICGSAHPFMEQ-UHFFFAOYSA-N 0 0 188.246 1.588 10 0 ADAERN CC1(C)CC[C@]1(O)C1CCOCC1 306382365 345247868 /nfs/dbraw/zinc/24/78/68/345247868.db2.gz TWBJRRUJRZYGIX-NSHDSACASA-N 0 0 184.279 1.964 10 0 ADAERN C/C=C/C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306382125 345247884 /nfs/dbraw/zinc/24/78/84/345247884.db2.gz PDSBTAGRIAONNH-QZAUWNRFSA-N 0 0 165.236 1.477 10 0 ADAERN C[C@@H](Cc1sccc1Cl)NN 306382513 345247889 /nfs/dbraw/zinc/24/78/89/345247889.db2.gz ZSXWZVXCJHTSET-YFKPBYRVSA-N 0 0 190.699 1.796 10 0 ADAERN C[C@H](Cc1sccc1Cl)NN 306382512 345247919 /nfs/dbraw/zinc/24/79/19/345247919.db2.gz ZSXWZVXCJHTSET-RXMQYKEDSA-N 0 0 190.699 1.796 10 0 ADAERN c1c[nH]c(CNc2c[nH]cn2)c1 306382301 345247923 /nfs/dbraw/zinc/24/79/23/345247923.db2.gz AUBSIVGAHLWNCD-UHFFFAOYSA-N 0 0 162.196 1.350 10 0 ADAERN CC1(C)CC[C@@]1(O)C1CCOCC1 306382364 345247942 /nfs/dbraw/zinc/24/79/42/345247942.db2.gz TWBJRRUJRZYGIX-LLVKDONJSA-N 0 0 184.279 1.964 10 0 ADAERN c1cnnc(N2CCC3(CC3)C2)c1 306382400 345247999 /nfs/dbraw/zinc/24/79/99/345247999.db2.gz UCZXPFDOOSBXOZ-UHFFFAOYSA-N 0 0 175.235 1.467 10 0 ADAERN C/C=C/C(=O)N[C@H]1[C@H]2CCC[C@H]21 306382124 345248008 /nfs/dbraw/zinc/24/80/08/345248008.db2.gz PDSBTAGRIAONNH-MFTMNBQGSA-N 0 0 165.236 1.477 10 0 ADAERN Cc1cc(NC(=O)[C@H]2C[C@@H]2C)on1 306382354 345248054 /nfs/dbraw/zinc/24/80/54/345248054.db2.gz SZRGOSJPJYQOTI-FSPLSTOPSA-N 0 0 180.207 1.578 10 0 ADAERN CNc1ncnc2sc(N)cc12 306382628 345248126 /nfs/dbraw/zinc/24/81/26/345248126.db2.gz BGUUPKFLWGNMHL-UHFFFAOYSA-N 0 0 180.236 1.315 10 0 ADAERN Clc1cncc(N2CC[C@@H]3C[C@@H]32)n1 306383183 345248411 /nfs/dbraw/zinc/24/84/11/345248411.db2.gz UWDGJVJHNKJQCE-RQJHMYQMSA-N 0 0 195.653 1.729 10 0 ADAERN Clc1cncc(N2CC[C@H]3C[C@H]32)n1 306383179 345248412 /nfs/dbraw/zinc/24/84/12/345248412.db2.gz UWDGJVJHNKJQCE-NKWVEPMBSA-N 0 0 195.653 1.729 10 0 ADAERN Cc1ncc2c(n1)C[C@H](C)CC2=O 306382825 345248440 /nfs/dbraw/zinc/24/84/40/345248440.db2.gz UVJOZIZLBCBNMO-LURJTMIESA-N 0 0 176.219 1.550 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@](C)(O)c1cnc(N)s1 306383220 345248450 /nfs/dbraw/zinc/24/84/50/345248450.db2.gz UZVXCJOGVLQEFF-QIOHGKGESA-N 0 0 198.291 1.589 10 0 ADAERN C[C@@H]1C[C@@H]1[C@](C)(O)c1cnc(N)s1 306383218 345248459 /nfs/dbraw/zinc/24/84/59/345248459.db2.gz UZVXCJOGVLQEFF-JHEQGTHGSA-N 0 0 198.291 1.589 10 0 ADAERN Cc1ncc2c(n1)C[C@@H](C)CC2=O 306382826 345248484 /nfs/dbraw/zinc/24/84/84/345248484.db2.gz UVJOZIZLBCBNMO-ZCFIWIBFSA-N 0 0 176.219 1.550 10 0 ADAERN CCCc1noc(-c2cnns2)n1 306382990 345248485 /nfs/dbraw/zinc/24/84/85/345248485.db2.gz BQBAXVLORSYYQZ-UHFFFAOYSA-N 0 0 196.235 1.541 10 0 ADAERN C[C@@H]1C[C@H]1[C@](C)(O)c1cnc(N)s1 306383219 345248492 /nfs/dbraw/zinc/24/84/92/345248492.db2.gz UZVXCJOGVLQEFF-KCRUCZTKSA-N 0 0 198.291 1.589 10 0 ADAERN Cc1ccc(CN2CC(F)C2)nc1 306382752 345248493 /nfs/dbraw/zinc/24/84/93/345248493.db2.gz UKVJKBOOPZVXHM-UHFFFAOYSA-N 0 0 180.226 1.544 10 0 ADAERN CCc1occc1C(=O)N(C)C#N 306382787 345248600 /nfs/dbraw/zinc/24/86/00/345248600.db2.gz UQENQCFAVRFBSK-UHFFFAOYSA-N 0 0 178.191 1.395 10 0 ADAERN C[C@@H]1SCC[C@@H]1Nc1cccnn1 306383346 345248981 /nfs/dbraw/zinc/24/89/81/345248981.db2.gz CAVAZOWJJNQTTD-YUMQZZPRSA-N 0 0 195.291 1.783 10 0 ADAERN C[C@H]1SCC[C@H]1Nc1cccnn1 306383343 345248986 /nfs/dbraw/zinc/24/89/86/345248986.db2.gz CAVAZOWJJNQTTD-HTQZYQBOSA-N 0 0 195.291 1.783 10 0 ADAERN CNC(=O)c1n[nH]c(C2CC2)c1Cl 306383986 345248993 /nfs/dbraw/zinc/24/89/93/345248993.db2.gz CSOSQYGGTREUMO-UHFFFAOYSA-N 0 0 199.641 1.300 10 0 ADAERN CCCN(C)c1ncc(C)c(C)n1 306383978 345249057 /nfs/dbraw/zinc/24/90/57/345249057.db2.gz CRWZJWACUQZMPA-UHFFFAOYSA-N 0 0 179.267 1.940 10 0 ADAERN C[C@@H]1SCC[C@H]1Nc1cccnn1 306383344 345249063 /nfs/dbraw/zinc/24/90/63/345249063.db2.gz CAVAZOWJJNQTTD-JGVFFNPUSA-N 0 0 195.291 1.783 10 0 ADAERN C[C@@]1(O)CCC[C@H]1Sc1nc[nH]n1 306383979 345249067 /nfs/dbraw/zinc/24/90/67/345249067.db2.gz VWZOKXMAYCNAGL-HTRCEHHLSA-N 0 0 199.279 1.200 10 0 ADAERN C[C@H]1SCC[C@@H]1Nc1cccnn1 306383345 345249082 /nfs/dbraw/zinc/24/90/82/345249082.db2.gz CAVAZOWJJNQTTD-SFYZADRCSA-N 0 0 195.291 1.783 10 0 ADAERN CC1CN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 306383494 345249097 /nfs/dbraw/zinc/24/90/97/345249097.db2.gz CFRJOESFKXCCTM-MYJAWHEDSA-N 0 0 179.263 1.511 10 0 ADAERN Cc1cc(NC=O)cc(C(N)=S)c1 306383429 345249104 /nfs/dbraw/zinc/24/91/04/345249104.db2.gz YMVXCNCAEIWGAH-UHFFFAOYSA-N 0 0 194.259 1.198 10 0 ADAERN CONC(=S)NCc1ccccc1 306383981 345249166 /nfs/dbraw/zinc/24/91/66/345249166.db2.gz CSKZMVRQCPBWRI-UHFFFAOYSA-N 0 0 196.275 1.212 10 0 ADAERN OCC1=C[C@H](c2ccccc2)OC1 306384393 345249346 /nfs/dbraw/zinc/24/93/46/345249346.db2.gz QQOILFCYFUYRNK-LLVKDONJSA-N 0 0 176.215 1.677 10 0 ADAERN C[C@@H]1CSC[C@H]1Nc1cn[nH]c1 306384815 345249351 /nfs/dbraw/zinc/24/93/51/345249351.db2.gz ZWFXZDVQGYSWFT-HTRCEHHLSA-N 0 0 183.280 1.573 10 0 ADAERN C[C@@H](O)C(=O)c1ccsc1Cl 306384139 345249407 /nfs/dbraw/zinc/24/94/07/345249407.db2.gz ZFKPKXSJZRRRCS-SCSAIBSYSA-N 0 0 190.651 1.965 10 0 ADAERN C[C@H]1CSC[C@@H]1Nc1cn[nH]c1 306384818 345249427 /nfs/dbraw/zinc/24/94/27/345249427.db2.gz ZWFXZDVQGYSWFT-XPUUQOCRSA-N 0 0 183.280 1.573 10 0 ADAERN C[C@]1(O)CCC[C@@H]1Sc1nc[nH]n1 306384005 345249452 /nfs/dbraw/zinc/24/94/52/345249452.db2.gz VWZOKXMAYCNAGL-XPUUQOCRSA-N 0 0 199.279 1.200 10 0 ADAERN NC(=S)c1ccccc1N1CCC1 306384542 345249522 /nfs/dbraw/zinc/24/95/22/345249522.db2.gz WGNQOZUKDDVYIU-UHFFFAOYSA-N 0 0 192.287 1.531 10 0 ADAERN C[C@H]1CSC[C@H]1Nc1cn[nH]c1 306384816 345249532 /nfs/dbraw/zinc/24/95/32/345249532.db2.gz ZWFXZDVQGYSWFT-POYBYMJQSA-N 0 0 183.280 1.573 10 0 ADAERN C[C@@H]1CSC[C@@H]1Nc1cn[nH]c1 306384817 345249538 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ADAERN C[C@H]1CC[C@H]1NC(=O)CC(F)(F)F 306390989 345254069 /nfs/dbraw/zinc/25/40/69/345254069.db2.gz ZQVJCYBXGSGYIG-NTSWFWBYSA-N 0 0 195.184 1.854 10 0 ADAERN CC/C=C/C(=O)N[C@@H]1C[C@H]1C 306390792 345254098 /nfs/dbraw/zinc/25/40/98/345254098.db2.gz ZFYNQQPTAZYBDS-IVZJMYDKSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1ccc[nH]1 306390867 345254132 /nfs/dbraw/zinc/25/41/32/345254132.db2.gz XSSZKWXMJUZESO-NRPADANISA-N 0 0 165.236 1.889 10 0 ADAERN C[C@H]1CCN1C(=O)NCC1CC1 306391322 345254160 /nfs/dbraw/zinc/25/41/60/345254160.db2.gz DDXAOGXVENSTLO-ZETCQYMHSA-N 0 0 168.240 1.200 10 0 ADAERN C[C@@H]1CCN1C(=O)NCC1CC1 306391313 345254256 /nfs/dbraw/zinc/25/42/56/345254256.db2.gz DDXAOGXVENSTLO-SSDOTTSWSA-N 0 0 168.240 1.200 10 0 ADAERN C=CC(=O)Nc1ccc(NC)nc1 306391152 345254264 /nfs/dbraw/zinc/25/42/64/345254264.db2.gz ZXTHTKVSGBTNBS-UHFFFAOYSA-N 0 0 177.207 1.248 10 0 ADAERN COCC(=O)c1sccc1F 306391226 345254268 /nfs/dbraw/zinc/25/42/68/345254268.db2.gz 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345254363 /nfs/dbraw/zinc/25/43/63/345254363.db2.gz ZFYNQQPTAZYBDS-VEVSIANRSA-N 0 0 153.225 1.477 10 0 ADAERN CNC(=O)C1=C(C)N2CCC=C2S1 306391597 345254630 /nfs/dbraw/zinc/25/46/30/345254630.db2.gz AEBLOIWSPFINOX-UHFFFAOYSA-N 0 0 196.275 1.258 10 0 ADAERN C[C@H](CF)NC(=O)C(C)(F)F 306391715 345254666 /nfs/dbraw/zinc/25/46/66/345254666.db2.gz DIWFVCWQKYQIHV-SCSAIBSYSA-N 0 0 169.146 1.116 10 0 ADAERN CC(C)N(C)C(=O)N[C@@H]1CC[C@H]1C 306391713 345254725 /nfs/dbraw/zinc/25/47/25/345254725.db2.gz AFEBBTZHBDHYTL-RKDXNWHRSA-N 0 0 184.283 1.835 10 0 ADAERN C[C@@H](CF)NC(=O)C(C)(F)F 306391708 345254759 /nfs/dbraw/zinc/25/47/59/345254759.db2.gz DIWFVCWQKYQIHV-BYPYZUCNSA-N 0 0 169.146 1.116 10 0 ADAERN CC(C)N(C)C(=O)N[C@H]1CC[C@H]1C 306391694 345254768 /nfs/dbraw/zinc/25/47/68/345254768.db2.gz AFEBBTZHBDHYTL-BDAKNGLRSA-N 0 0 184.283 1.835 10 0 ADAERN C[C@H]1CC[C@]1(N)C(F)(F)F 306392146 345254773 /nfs/dbraw/zinc/25/47/73/345254773.db2.gz BCAJAPDPCDUARS-CRCLSJGQSA-N 0 0 153.147 1.676 10 0 ADAERN CCN1CC(n2cc[nH]c2=S)C1 306391567 345254796 /nfs/dbraw/zinc/25/47/96/345254796.db2.gz FSIVLLJLCQYNOM-UHFFFAOYSA-N 0 0 183.280 1.048 10 0 ADAERN CSC(C)(C)c1nc(N)cc(=O)[nH]1 306391385 345254811 /nfs/dbraw/zinc/25/48/11/345254811.db2.gz ATKAHZZROCNUAQ-UHFFFAOYSA-N 0 0 199.279 1.363 10 0 ADAERN Cc1cc(C(=O)OC2CC2)c(C)[nH]1 306391809 345254841 /nfs/dbraw/zinc/25/48/41/345254841.db2.gz DLWYZNICVUMWMX-UHFFFAOYSA-N 0 0 179.219 1.951 10 0 ADAERN C[C@@H]1CC[C@]1(N)C(F)(F)F 306392147 345254865 /nfs/dbraw/zinc/25/48/65/345254865.db2.gz BCAJAPDPCDUARS-RFZPGFLSSA-N 0 0 153.147 1.676 10 0 ADAERN Cc1cccc(CC(N)=O)c1Cl 306391417 345254876 /nfs/dbraw/zinc/25/48/76/345254876.db2.gz DENVUZIQDKZUOL-UHFFFAOYSA-N 0 0 183.638 1.676 10 0 ADAERN CC(C)N(C)C(=O)N[C@H]1CC[C@@H]1C 306391706 345254879 /nfs/dbraw/zinc/25/48/79/345254879.db2.gz AFEBBTZHBDHYTL-IUCAKERBSA-N 0 0 184.283 1.835 10 0 ADAERN CON[C@@H]1C[C@H](C)O[C@H](C)C1 306391361 345254933 /nfs/dbraw/zinc/25/49/33/345254933.db2.gz DUDHKWCXQKEJEM-JIGDXULJSA-N 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ILDOVCKHQMCGFJ-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN C[C@@H]1CC[C@@]1(O)CC1CCOCC1 306392906 345255595 /nfs/dbraw/zinc/25/55/95/345255595.db2.gz FQQJBEGLKVVJKB-MWLCHTKSSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H]1CC[C@]1(O)CC1CCOCC1 306392907 345255607 /nfs/dbraw/zinc/25/56/07/345255607.db2.gz FQQJBEGLKVVJKB-ONGXEEELSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1ccncc1C[NH+]1CC(C)C1 306393296 345255654 /nfs/dbraw/zinc/25/56/54/345255654.db2.gz DSUKYHBLTTYFPS-UHFFFAOYSA-N 0 0 176.263 1.842 10 0 ADAERN C[C@@H](Nc1nnco1)C1CC1 306392921 345255695 /nfs/dbraw/zinc/25/56/95/345255695.db2.gz FROWVWKPQQCBCI-RXMQYKEDSA-N 0 0 153.185 1.280 10 0 ADAERN CCNc1cnc(C2CC2)cn1 306393541 345255706 /nfs/dbraw/zinc/25/57/06/345255706.db2.gz KITPLDILWLRWGD-UHFFFAOYSA-N 0 0 163.224 1.786 10 0 ADAERN C[C@H](Nc1nnco1)C1CC1 306392922 345255769 /nfs/dbraw/zinc/25/57/69/345255769.db2.gz FROWVWKPQQCBCI-YFKPBYRVSA-N 0 0 153.185 1.280 10 0 ADAERN C[C@@H]1CC[C@]1(O)CC1CCOCC1 306392905 345255774 /nfs/dbraw/zinc/25/57/74/345255774.db2.gz FQQJBEGLKVVJKB-KOLCDFICSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1csc(CN2CCNC2=O)c1 306392946 345255919 /nfs/dbraw/zinc/25/59/19/345255919.db2.gz FTUKFIVEOMAFKJ-UHFFFAOYSA-N 0 0 196.275 1.582 10 0 ADAERN C[C@@H](N1C(=O)CCC1=O)C1(C)CC1 306393004 345256014 /nfs/dbraw/zinc/25/60/14/345256014.db2.gz BZBJUNPZENSDKY-SSDOTTSWSA-N 0 0 181.235 1.324 10 0 ADAERN C[C@H]1CC[C@@]1(O)CC1CCOCC1 306392904 345256046 /nfs/dbraw/zinc/25/60/46/345256046.db2.gz FQQJBEGLKVVJKB-GXSJLCMTSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H](N1C(=O)CCC1=O)C1(C)CC1 306393005 345256060 /nfs/dbraw/zinc/25/60/60/345256060.db2.gz BZBJUNPZENSDKY-ZETCQYMHSA-N 0 0 181.235 1.324 10 0 ADAERN O=C(NC1CCCCC1)[C@@H]1CCO1 306394054 345256234 /nfs/dbraw/zinc/25/62/34/345256234.db2.gz FNYRHXIQZLGCPW-VIFPVBQESA-N 0 0 183.251 1.224 10 0 ADAERN CC1CC(C(=O)NCCF)C1 306393795 345256329 /nfs/dbraw/zinc/25/63/29/345256329.db2.gz DUJUSTSCFHDKQF-UHFFFAOYSA-N 0 0 159.204 1.118 10 0 ADAERN O=C(NC1CCCCC1)[C@H]1CCO1 306394053 345256355 /nfs/dbraw/zinc/25/63/55/345256355.db2.gz FNYRHXIQZLGCPW-SECBINFHSA-N 0 0 183.251 1.224 10 0 ADAERN Nc1csc2c1CC[N@@H+](C1CC1)C2 306393770 345256433 /nfs/dbraw/zinc/25/64/33/345256433.db2.gz DEHCEKSTRSNZTC-UHFFFAOYSA-N 0 0 194.303 1.851 10 0 ADAERN CC[C@@]1(C2CCC2)CNC(=O)O1 306393934 345256560 /nfs/dbraw/zinc/25/65/60/345256560.db2.gz HUILDCXVHLNGRL-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN CC[C@]1(C2CCC2)CNC(=O)O1 306393933 345256596 /nfs/dbraw/zinc/25/65/96/345256596.db2.gz HUILDCXVHLNGRL-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN CCc1c(N)c(C)nn1CC 306393722 345256666 /nfs/dbraw/zinc/25/66/66/345256666.db2.gz CVPIKVKGXSGJSU-UHFFFAOYSA-N 0 0 153.229 1.356 10 0 ADAERN CC1(F)CN(C(=O)c2ccc[nH]2)C1 306394653 345256876 /nfs/dbraw/zinc/25/68/76/345256876.db2.gz GBVAQXZPGBUWEW-UHFFFAOYSA-N 0 0 182.198 1.199 10 0 ADAERN O=C(c1cscn1)[C@@H]1CCCCO1 306394560 345256879 /nfs/dbraw/zinc/25/68/79/345256879.db2.gz IUERJFAGMQPPQW-QMMMGPOBSA-N 0 0 197.259 1.895 10 0 ADAERN CCc1nc(-c2nc(C)no2)c[nH]1 306394708 345256935 /nfs/dbraw/zinc/25/69/35/345256935.db2.gz GFWLJMABZOEBMX-UHFFFAOYSA-N 0 0 178.195 1.331 10 0 ADAERN O=C(c1cscn1)[C@H]1CCCCO1 306394559 345257033 /nfs/dbraw/zinc/25/70/33/345257033.db2.gz IUERJFAGMQPPQW-MRVPVSSYSA-N 0 0 197.259 1.895 10 0 ADAERN CNC(=O)C12CCC(CC1)C2 306394600 345257187 /nfs/dbraw/zinc/25/71/87/345257187.db2.gz FUDAZTMCSDOZNW-UHFFFAOYSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)c1cscn1 306395363 345257473 /nfs/dbraw/zinc/25/74/73/345257473.db2.gz JJQLXKSMPQUTQW-RNFRBKRXSA-N 0 0 197.259 1.751 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@@H]1CCSC1 306394882 345257453 /nfs/dbraw/zinc/25/74/53/345257453.db2.gz OWEORRIJKWYDNX-RQJHMYQMSA-N 0 0 185.292 1.264 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@H]1CCSC1 306394879 345257503 /nfs/dbraw/zinc/25/75/03/345257503.db2.gz OWEORRIJKWYDNX-BQBZGAKWSA-N 0 0 185.292 1.264 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@@H]1CCSC1 306394881 345257512 /nfs/dbraw/zinc/25/75/12/345257512.db2.gz OWEORRIJKWYDNX-RNFRBKRXSA-N 0 0 185.292 1.264 10 0 ADAERN C[C@@H](O)CNc1cncc(F)c1 306394911 345257517 /nfs/dbraw/zinc/25/75/17/345257517.db2.gz FJKCYVRXSIQNDO-ZCFIWIBFSA-N 0 0 170.187 1.013 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)c1cscn1 306395364 345257530 /nfs/dbraw/zinc/25/75/30/345257530.db2.gz JJQLXKSMPQUTQW-RQJHMYQMSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)c1cscn1 306395361 345257535 /nfs/dbraw/zinc/25/75/35/345257535.db2.gz JJQLXKSMPQUTQW-BQBZGAKWSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)c1cscn1 306395362 345257538 /nfs/dbraw/zinc/25/75/38/345257538.db2.gz JJQLXKSMPQUTQW-NKWVEPMBSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)NC1(C)CCC1 306395342 345257543 /nfs/dbraw/zinc/25/75/43/345257543.db2.gz JIDGQQDCYNSZOO-HTQZYQBOSA-N 0 0 182.267 1.637 10 0 ADAERN CNC(=S)Nc1c(C)ccnc1C 306395731 345257561 /nfs/dbraw/zinc/25/75/61/345257561.db2.gz QOSHODSEMSYRTI-UHFFFAOYSA-N 0 0 195.291 1.615 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@H]1CCSC1 306394880 345257608 /nfs/dbraw/zinc/25/76/08/345257608.db2.gz OWEORRIJKWYDNX-NKWVEPMBSA-N 0 0 185.292 1.264 10 0 ADAERN CN(Cc1ncccn1)C1CC1 306395125 345257642 /nfs/dbraw/zinc/25/76/42/345257642.db2.gz FYVBSTBLBYHZPE-UHFFFAOYSA-N 0 0 163.224 1.071 10 0 ADAERN C[C@H](O)CNc1cncc(F)c1 306394910 345257649 /nfs/dbraw/zinc/25/76/49/345257649.db2.gz FJKCYVRXSIQNDO-LURJTMIESA-N 0 0 170.187 1.013 10 0 ADAERN CNC(=S)N[C@@H](C)c1ccn(C)c1 306396032 345258143 /nfs/dbraw/zinc/25/81/43/345258143.db2.gz HUMARNJUINLBSO-ZETCQYMHSA-N 0 0 197.307 1.180 10 0 ADAERN O=[S@@](CC1CC1)C1CCOCC1 306396748 345258163 /nfs/dbraw/zinc/25/81/63/345258163.db2.gz HMNQUTFSIVCTPE-LBPRGKRZSA-N 0 0 188.292 1.324 10 0 ADAERN O=[S@](CC1CC1)C1CCOCC1 306396746 345258236 /nfs/dbraw/zinc/25/82/36/345258236.db2.gz HMNQUTFSIVCTPE-GFCCVEGCSA-N 0 0 188.292 1.324 10 0 ADAERN CC1(C)CCCN1C1=NC(=O)CS1 306396228 345258246 /nfs/dbraw/zinc/25/82/46/345258246.db2.gz QTEOOELXYSDOAX-UHFFFAOYSA-N 0 0 198.291 1.490 10 0 ADAERN CNC(=S)N[C@H](C)c1ccn(C)c1 306396030 345258260 /nfs/dbraw/zinc/25/82/60/345258260.db2.gz HUMARNJUINLBSO-SSDOTTSWSA-N 0 0 197.307 1.180 10 0 ADAERN O=c1cccc(-c2ccsn2)[nH]1 306396253 345258299 /nfs/dbraw/zinc/25/82/99/345258299.db2.gz QYCXZPZHSJDHJM-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN NNC[C@@H]1CC2CCC1CC2 306397407 345258593 /nfs/dbraw/zinc/25/85/93/345258593.db2.gz IDZTXNAVHBVIML-HACHORDNSA-N 0 0 154.257 1.276 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCS1 306397270 345258563 /nfs/dbraw/zinc/25/85/63/345258563.db2.gz VFKUARUIIQCLPY-PRJMDXOYSA-N 0 0 185.292 1.407 10 0 ADAERN CC1(C)CN(c2ccc(N)cn2)C1 306397333 345258587 /nfs/dbraw/zinc/25/85/87/345258587.db2.gz WAYINEULUCKZPW-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN NNC[C@H]1CC2CCC1CC2 306397406 345258602 /nfs/dbraw/zinc/25/86/02/345258602.db2.gz IDZTXNAVHBVIML-AMDVSUOASA-N 0 0 154.257 1.276 10 0 ADAERN CNC(=O)NC[C@@H]1C[C@H]2C=C[C@@H]1C2 306396979 345258737 /nfs/dbraw/zinc/25/87/37/345258737.db2.gz IMFOVLMCYLBLAI-YIZRAAEISA-N 0 0 180.251 1.128 10 0 ADAERN 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345303730 /nfs/dbraw/zinc/30/37/30/345303730.db2.gz PXNYNLNLTQKNMJ-VIFPVBQESA-N 0 0 193.250 1.294 10 0 ADAERN Cc1cc(N[C@@H]2CCOC2)nnc1C 306443058 345303783 /nfs/dbraw/zinc/30/37/83/345303783.db2.gz PXNYNLNLTQKNMJ-SECBINFHSA-N 0 0 193.250 1.294 10 0 ADAERN CN(C(=O)C(F)(F)F)[C@H]1CC1(C)C 306443063 345303800 /nfs/dbraw/zinc/30/38/00/345303800.db2.gz PYACMLVASCJWKE-YFKPBYRVSA-N 0 0 195.184 1.806 10 0 ADAERN CN(C(=O)C(F)(F)F)[C@@H]1CC1(C)C 306443062 345303812 /nfs/dbraw/zinc/30/38/12/345303812.db2.gz PYACMLVASCJWKE-RXMQYKEDSA-N 0 0 195.184 1.806 10 0 ADAERN CSCCC(=O)Nc1ccon1 306443651 345304098 /nfs/dbraw/zinc/30/40/98/345304098.db2.gz AJTOBZQPASCHDG-UHFFFAOYSA-N 0 0 186.236 1.366 10 0 ADAERN CNC(=O)Nc1ccnc(C)c1 306443610 345304157 /nfs/dbraw/zinc/30/41/57/345304157.db2.gz AADJWWMBICZARH-UHFFFAOYSA-N 0 0 165.196 1.141 10 0 ADAERN CC(F)(F)[C@@H](N)c1ccsn1 306444178 345304197 /nfs/dbraw/zinc/30/41/97/345304197.db2.gz OJLINDGTCWTAIV-YFKPBYRVSA-N 0 0 178.207 1.798 10 0 ADAERN 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/nfs/dbraw/zinc/30/55/99/345305599.db2.gz UBLHFCVTNSYDPD-SECBINFHSA-N 0 0 162.236 1.180 10 0 ADAERN CC(C)/C=C/C(=O)NC1CCC1 306446219 345305692 /nfs/dbraw/zinc/30/56/92/345305692.db2.gz AAZVVBKDTZWYQS-VOTSOKGWSA-N 0 0 167.252 1.867 10 0 ADAERN CC1(C)CCN1Cc1cc[nH]n1 306445646 345305785 /nfs/dbraw/zinc/30/57/85/345305785.db2.gz QYVKAWITPIENLA-UHFFFAOYSA-N 0 0 165.240 1.394 10 0 ADAERN N[C@H](c1cscn1)C(F)(F)F 306446159 345305822 /nfs/dbraw/zinc/30/58/22/345305822.db2.gz RYUJMRSBBSUZHW-SCSAIBSYSA-N 0 0 182.170 1.705 10 0 ADAERN CC(C)C(=O)N1CCCC[C@H](F)C1 306445794 345305824 /nfs/dbraw/zinc/30/58/24/345305824.db2.gz TVCJHDZRORRWER-VIFPVBQESA-N 0 0 187.258 1.993 10 0 ADAERN CC(C)c1ncn([C@@H]2CCC[C@H]2O)n1 306445988 345305833 /nfs/dbraw/zinc/30/58/33/345305833.db2.gz RNIJYNXOMVKCIH-RKDXNWHRSA-N 0 0 195.266 1.487 10 0 ADAERN N[C@@H](c1cscn1)C(F)(F)F 306446158 345305861 /nfs/dbraw/zinc/30/58/61/345305861.db2.gz RYUJMRSBBSUZHW-BYPYZUCNSA-N 0 0 182.170 1.705 10 0 ADAERN CC(C)C(=O)N1CCCC[C@@H](F)C1 306445788 345305866 /nfs/dbraw/zinc/30/58/66/345305866.db2.gz TVCJHDZRORRWER-SECBINFHSA-N 0 0 187.258 1.993 10 0 ADAERN CCCNC(=O)Nc1c[nH]nc1C 306446507 345306292 /nfs/dbraw/zinc/30/62/92/345306292.db2.gz SMZSTGLHUPBSEB-UHFFFAOYSA-N 0 0 182.227 1.250 10 0 ADAERN CC(C)NN1CCSCC[C@H]1C 306446277 345306315 /nfs/dbraw/zinc/30/63/15/345306315.db2.gz AULKXVMLRBJBOI-SECBINFHSA-N 0 0 188.340 1.727 10 0 ADAERN Cc1cc(C[C@@H]2CCNC2=O)cs1 306446389 345306319 /nfs/dbraw/zinc/30/63/19/345306319.db2.gz UTNFYTSAOZBCTQ-VIFPVBQESA-N 0 0 195.287 1.735 10 0 ADAERN CCC[C@]1(C2CC2)COC(N)=N1 306446267 345306345 /nfs/dbraw/zinc/30/63/45/345306345.db2.gz APIGICQTJNCJPB-SECBINFHSA-N 0 0 168.240 1.280 10 0 ADAERN Cc1ncc([C@@H](O)C(C)C)n1C 306446237 345306420 /nfs/dbraw/zinc/30/64/20/345306420.db2.gz AGWVFJMUCHJVHB-VIFPVBQESA-N 0 0 168.240 1.418 10 0 ADAERN CC(C)[C@](C)(O)CN1CC(F)C1 306446627 345306425 /nfs/dbraw/zinc/30/64/25/345306425.db2.gz BQVZTGLUDNHYPS-SECBINFHSA-N 0 0 175.247 1.047 10 0 ADAERN Cc1ncc([C@H](O)C(C)C)n1C 306446236 345306430 /nfs/dbraw/zinc/30/64/30/345306430.db2.gz AGWVFJMUCHJVHB-SECBINFHSA-N 0 0 168.240 1.418 10 0 ADAERN CCC[C@@]1(C2CC2)COC(N)=N1 306446268 345306439 /nfs/dbraw/zinc/30/64/39/345306439.db2.gz APIGICQTJNCJPB-VIFPVBQESA-N 0 0 168.240 1.280 10 0 ADAERN C1=CCN(Cc2cc[nH]n2)CC1 306446564 345306450 /nfs/dbraw/zinc/30/64/50/345306450.db2.gz BCAKFDNCSSPMOO-UHFFFAOYSA-N 0 0 163.224 1.172 10 0 ADAERN CC(C)NN1CCSCC[C@@H]1C 306446278 345306458 /nfs/dbraw/zinc/30/64/58/345306458.db2.gz AULKXVMLRBJBOI-VIFPVBQESA-N 0 0 188.340 1.727 10 0 ADAERN Cn1cnc([C@H]2[NH2+]CC2(C)C)c1 306447251 345306709 /nfs/dbraw/zinc/30/67/09/345306709.db2.gz DNUWTXUHQRXCLU-MRVPVSSYSA-N 0 0 165.240 1.091 10 0 ADAERN Cc1nc(-c2noc(Cl)n2)co1 306447244 345306748 /nfs/dbraw/zinc/30/67/48/345306748.db2.gz DNJFOOFHRRGXNR-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN c1cnc(S[C@@H]2CCCO2)cn1 306447064 345306882 /nfs/dbraw/zinc/30/68/82/345306882.db2.gz DDAGGEPFAALLSD-MRVPVSSYSA-N 0 0 182.248 1.705 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/nfs/dbraw/zinc/30/79/36/345307936.db2.gz HWXJFMJUVDCTRF-UHFFFAOYSA-N 0 0 169.203 1.557 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)CC1CCC1 306448016 345307940 /nfs/dbraw/zinc/30/79/40/345307940.db2.gz VHBSDGFSZKVCLZ-IONNQARKSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)CC1CCC1 306448015 345307988 /nfs/dbraw/zinc/30/79/88/345307988.db2.gz VHBSDGFSZKVCLZ-CBAPKCEASA-N 0 0 167.252 1.701 10 0 ADAERN CC(C)S(=O)(=O)N1[C@@H](C)C[C@H]1C 306447931 345308013 /nfs/dbraw/zinc/30/80/13/345308013.db2.gz GOXUIJJIJSGOKG-OCAPTIKFSA-N 0 0 191.296 1.207 10 0 ADAERN Cc1cccc(C(=O)N2CC2)c1F 306448049 345308078 /nfs/dbraw/zinc/30/80/78/345308078.db2.gz VKZFHSKSXOQPHM-UHFFFAOYSA-N 0 0 179.194 1.590 10 0 ADAERN c1cc(CNc2nnco2)co1 306447934 345308089 /nfs/dbraw/zinc/30/80/89/345308089.db2.gz GPCXUWHCBHJNAE-UHFFFAOYSA-N 0 0 165.152 1.275 10 0 ADAERN CC[C@@H](C)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306448151 345308138 /nfs/dbraw/zinc/30/81/38/345308138.db2.gz WMLVTNNNNGVBBD-IMSYWVGJSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)C(=O)NC(C)(C)C(F)F 306448740 345308367 /nfs/dbraw/zinc/30/83/67/345308367.db2.gz JNVXWZCIBDCLNM-UHFFFAOYSA-N 0 0 179.210 1.802 10 0 ADAERN c1nocc1CN1CCSCC1 306448746 345308427 /nfs/dbraw/zinc/30/84/27/345308427.db2.gz JOXBNOKOZFYJPC-UHFFFAOYSA-N 0 0 184.264 1.223 10 0 ADAERN Cc1ccn(Cc2cnns2)n1 306448681 345308450 /nfs/dbraw/zinc/30/84/50/345308450.db2.gz JAZXSJFGYKHXDF-UHFFFAOYSA-N 0 0 180.236 1.091 10 0 ADAERN COC(=O)N(C)c1cccc(C)n1 306448410 345308476 /nfs/dbraw/zinc/30/84/76/345308476.db2.gz WSLPHZVPHQUVFO-UHFFFAOYSA-N 0 0 180.207 1.593 10 0 ADAERN CC(C)C(C)(C)N[C@H]1CCOC1=O 306448422 345308704 /nfs/dbraw/zinc/30/87/04/345308704.db2.gz WSPRBSZYVMATGT-QMMMGPOBSA-N 0 0 185.267 1.326 10 0 ADAERN CC(C)C(C)(C)N[C@@H]1CCOC1=O 306448416 345308766 /nfs/dbraw/zinc/30/87/66/345308766.db2.gz WSPRBSZYVMATGT-MRVPVSSYSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@@]1(NCC=C2CCC2)CCOC1=O 306449379 345309435 /nfs/dbraw/zinc/30/94/35/345309435.db2.gz YHNQICMKQDTQRL-LLVKDONJSA-N 0 0 195.262 1.392 10 0 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/nfs/dbraw/zinc/31/12/20/345311220.db2.gz QMISOCLGJQFAJI-UHFFFAOYSA-N 0 0 165.236 1.573 10 0 ADAERN CON(C)C[C@@H]1CCO[C@@H](C)C1 306451335 345311557 /nfs/dbraw/zinc/31/15/57/345311557.db2.gz AWHBWKSQYTUMKC-DTWKUNHWSA-N 0 0 173.256 1.295 10 0 ADAERN C[C@@H](CO)Nc1c(N)cccc1F 306451325 345311513 /nfs/dbraw/zinc/31/15/13/345311513.db2.gz AWGXIQWZADBCJH-LURJTMIESA-N 0 0 184.214 1.201 10 0 ADAERN C[C@@H]1OCC[C@@H]1OC(=O)C(C)(C)F 306451053 345311529 /nfs/dbraw/zinc/31/15/29/345311529.db2.gz ZTUBGWFJHNUPLN-BQBZGAKWSA-N 0 0 190.214 1.455 10 0 ADAERN c1nc(N[C@@H]2CCCOC2)c[nH]1 306451437 345311534 /nfs/dbraw/zinc/31/15/34/345311534.db2.gz RPKXTKCLMCQQHQ-SSDOTTSWSA-N 0 0 167.212 1.001 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1C 306451339 345311547 /nfs/dbraw/zinc/31/15/47/345311547.db2.gz LPOAPAKRAPRZMJ-BGZDPUMWSA-N 0 0 167.252 1.557 10 0 ADAERN CC(C)[C@H]1C[C@H]1C(=O)N1CCC1 306451473 345311564 /nfs/dbraw/zinc/31/15/64/345311564.db2.gz RZYWCOAOZPCADK-RKDXNWHRSA-N 0 0 167.252 1.511 10 0 ADAERN C[C@H](CO)Nc1c(N)cccc1F 306451328 345311568 /nfs/dbraw/zinc/31/15/68/345311568.db2.gz AWGXIQWZADBCJH-ZCFIWIBFSA-N 0 0 184.214 1.201 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1C 306451343 345311573 /nfs/dbraw/zinc/31/15/73/345311573.db2.gz LPOAPAKRAPRZMJ-JQCXWYLXSA-N 0 0 167.252 1.557 10 0 ADAERN NC(=S)c1cnn(C2CCCC2)c1 306451210 345311592 /nfs/dbraw/zinc/31/15/92/345311592.db2.gz BPEKAADYJWOREN-UHFFFAOYSA-N 0 0 195.291 1.632 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC1 306451472 345311595 /nfs/dbraw/zinc/31/15/95/345311595.db2.gz RZYWCOAOZPCADK-IUCAKERBSA-N 0 0 167.252 1.511 10 0 ADAERN CON(C)C[C@H]1CCO[C@H](C)C1 306451332 345311609 /nfs/dbraw/zinc/31/16/09/345311609.db2.gz AWHBWKSQYTUMKC-BDAKNGLRSA-N 0 0 173.256 1.295 10 0 ADAERN C[C@H]1OCC[C@H]1OC(=O)C(C)(C)F 306451055 345311625 /nfs/dbraw/zinc/31/16/25/345311625.db2.gz ZTUBGWFJHNUPLN-RNFRBKRXSA-N 0 0 190.214 1.455 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)[C@@H]1C[C@H]1C 306451344 345311683 /nfs/dbraw/zinc/31/16/83/345311683.db2.gz LPOAPAKRAPRZMJ-KDXUFGMBSA-N 0 0 167.252 1.557 10 0 ADAERN CCn1ncnc1[C@@H](O)C1CCC1 306451140 345311701 /nfs/dbraw/zinc/31/17/01/345311701.db2.gz BCIHFQMBFIJFEB-QMMMGPOBSA-N 0 0 181.239 1.132 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)CC(F)(F)F 306451280 345311712 /nfs/dbraw/zinc/31/17/12/345311712.db2.gz WFCZFGJYTCVGLM-WDSKDSINSA-N 0 0 195.184 1.948 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)[C@@H]1C[C@H]1C 306451341 345311715 /nfs/dbraw/zinc/31/17/15/345311715.db2.gz LPOAPAKRAPRZMJ-FNCVBFRFSA-N 0 0 167.252 1.557 10 0 ADAERN CON(C)C[C@H]1CCO[C@@H](C)C1 306451338 345311728 /nfs/dbraw/zinc/31/17/28/345311728.db2.gz AWHBWKSQYTUMKC-IUCAKERBSA-N 0 0 173.256 1.295 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)CC(F)(F)F 306451270 345311731 /nfs/dbraw/zinc/31/17/31/345311731.db2.gz WFCZFGJYTCVGLM-OLQVQODUSA-N 0 0 195.184 1.948 10 0 ADAERN CC(C)[C@H]1C[C@@H]1C(=O)N1CCC1 306451470 345311737 /nfs/dbraw/zinc/31/17/37/345311737.db2.gz RZYWCOAOZPCADK-BDAKNGLRSA-N 0 0 167.252 1.511 10 0 ADAERN c1nc(N[C@H]2CCCOC2)c[nH]1 306451438 345311746 /nfs/dbraw/zinc/31/17/46/345311746.db2.gz RPKXTKCLMCQQHQ-ZETCQYMHSA-N 0 0 167.212 1.001 10 0 ADAERN C[C@H]1OCC[C@@H]1OC(=O)C(C)(C)F 306451056 345311771 /nfs/dbraw/zinc/31/17/71/345311771.db2.gz ZTUBGWFJHNUPLN-RQJHMYQMSA-N 0 0 190.214 1.455 10 0 ADAERN C[C@@H]1OCC[C@H]1OC(=O)C(C)(C)F 306451054 345311781 /nfs/dbraw/zinc/31/17/81/345311781.db2.gz ZTUBGWFJHNUPLN-NKWVEPMBSA-N 0 0 190.214 1.455 10 0 ADAERN CON(C)C[C@@H]1CCO[C@H](C)C1 306451342 345311787 /nfs/dbraw/zinc/31/17/87/345311787.db2.gz AWHBWKSQYTUMKC-RKDXNWHRSA-N 0 0 173.256 1.295 10 0 ADAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCC1 306451471 345311793 /nfs/dbraw/zinc/31/17/93/345311793.db2.gz RZYWCOAOZPCADK-DTWKUNHWSA-N 0 0 167.252 1.511 10 0 ADAERN CCn1ncnc1[C@H](O)C1CCC1 306451139 345311804 /nfs/dbraw/zinc/31/18/04/345311804.db2.gz BCIHFQMBFIJFEB-MRVPVSSYSA-N 0 0 181.239 1.132 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@H]1CCCS1 306451968 345312166 /nfs/dbraw/zinc/31/21/66/345312166.db2.gz SZYZSLWVORKWTE-RKDXNWHRSA-N 0 0 183.276 1.944 10 0 ADAERN Cc1nn([C@H](C)CO)c(C)c1Cl 306451567 345312137 /nfs/dbraw/zinc/31/21/37/345312137.db2.gz CNIJYUUYYVTFMI-RXMQYKEDSA-N 0 0 188.658 1.707 10 0 ADAERN Cc1cc(N)c[nH+]c1NCCF 306452054 345312145 /nfs/dbraw/zinc/31/21/45/345312145.db2.gz DOUKHWRPQISUKR-UHFFFAOYSA-N 0 0 169.203 1.354 10 0 ADAERN Cc1nc([C@H](O)C2CCC2)co1 306451523 345312157 /nfs/dbraw/zinc/31/21/57/345312157.db2.gz SMCZWHJJEMSGAX-SECBINFHSA-N 0 0 167.208 1.817 10 0 ADAERN C[C@@H]1C[C@@H](C)[NH+]1Cc1cnc(N)s1 306451942 345312197 /nfs/dbraw/zinc/31/21/97/345312197.db2.gz WZIGRZLAWWFIAT-RNFRBKRXSA-N 0 0 197.307 1.708 10 0 ADAERN C[C@H]1C[C@H](C)[NH+]1Cc1cnc(N)s1 306451939 345312209 /nfs/dbraw/zinc/31/22/09/345312209.db2.gz WZIGRZLAWWFIAT-BQBZGAKWSA-N 0 0 197.307 1.708 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@@H]1CCCS1 306451965 345312221 /nfs/dbraw/zinc/31/22/21/345312221.db2.gz SZYZSLWVORKWTE-DTWKUNHWSA-N 0 0 183.276 1.944 10 0 ADAERN Nc1cccnc1-c1ccsn1 306451760 345312312 /nfs/dbraw/zinc/31/23/12/345312312.db2.gz LZSYXCAYHGQCEM-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1nn([C@@H](C)CO)c(C)c1Cl 306451568 345312314 /nfs/dbraw/zinc/31/23/14/345312314.db2.gz CNIJYUUYYVTFMI-YFKPBYRVSA-N 0 0 188.658 1.707 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@H]1CCCS1 306451964 345312337 /nfs/dbraw/zinc/31/23/37/345312337.db2.gz SZYZSLWVORKWTE-BDAKNGLRSA-N 0 0 183.276 1.944 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@@H]1CCCS1 306451966 345312381 /nfs/dbraw/zinc/31/23/81/345312381.db2.gz SZYZSLWVORKWTE-IUCAKERBSA-N 0 0 183.276 1.944 10 0 ADAERN CC(C)/C=C/C(=O)N1CC(F)C1 306452009 345312385 /nfs/dbraw/zinc/31/23/85/345312385.db2.gz UEEHVWQIOXTYJN-ONEGZZNKSA-N 0 0 171.215 1.379 10 0 ADAERN Cc1nc([C@@H](O)C2CCC2)co1 306451524 345312388 /nfs/dbraw/zinc/31/23/88/345312388.db2.gz SMCZWHJJEMSGAX-VIFPVBQESA-N 0 0 167.208 1.817 10 0 ADAERN FCCNc1nc(Cl)ncc1F 306452104 345312764 /nfs/dbraw/zinc/31/27/64/345312764.db2.gz FGTHKHSQTBGGRW-UHFFFAOYSA-N 0 0 193.584 1.651 10 0 ADAERN COCN1CCc2sccc2C1=O 306452080 345312675 /nfs/dbraw/zinc/31/26/75/345312675.db2.gz DYYDDKKOPBXFMW-UHFFFAOYSA-N 0 0 197.259 1.350 10 0 ADAERN Cc1nc([C@@H](O)c2ccc[nH]2)cs1 306453052 345312900 /nfs/dbraw/zinc/31/29/00/345312900.db2.gz IUEVKFBVMNOZHF-VIFPVBQESA-N 0 0 194.259 1.861 10 0 ADAERN C[C@@H]1CC[C@]1(C(=O)[O-])[NH+]1CCCC1 306453009 345312905 /nfs/dbraw/zinc/31/29/05/345312905.db2.gz ILHOSMGQXNOYQB-SCZZXKLOSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@@H]([C@@H]1CCOC1)N1CC(F)C1 306452680 345312914 /nfs/dbraw/zinc/31/29/14/345312914.db2.gz WATLQZRUXNQYBJ-JGVFFNPUSA-N 0 0 173.231 1.065 10 0 ADAERN Cc1nc([C@H](O)c2ccc[nH]2)cs1 306453051 345312923 /nfs/dbraw/zinc/31/29/23/345312923.db2.gz IUEVKFBVMNOZHF-SECBINFHSA-N 0 0 194.259 1.861 10 0 ADAERN C[C@@H]1CC[C@H]1n1cncc1C=O 306452630 345312930 /nfs/dbraw/zinc/31/29/30/345312930.db2.gz NFJMHYOXEHMYOC-VXNVDRBHSA-N 0 0 164.208 1.667 10 0 ADAERN C[C@H]1CC[C@@H]1n1cncc1C=O 306452628 345312939 /nfs/dbraw/zinc/31/29/39/345312939.db2.gz NFJMHYOXEHMYOC-CBAPKCEASA-N 0 0 164.208 1.667 10 0 ADAERN C[C@H]1CC[C@H]1n1cncc1C=O 306452629 345312946 /nfs/dbraw/zinc/31/29/46/345312946.db2.gz NFJMHYOXEHMYOC-IONNQARKSA-N 0 0 164.208 1.667 10 0 ADAERN Cc1cnoc1NC(=O)C(C)C 306452694 345312986 /nfs/dbraw/zinc/31/29/86/345312986.db2.gz WCPCKBYHTUJAAY-UHFFFAOYSA-N 0 0 168.196 1.578 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)c1cnsn1 306453180 345312989 /nfs/dbraw/zinc/31/29/89/345312989.db2.gz NWHCQXHRKZJOBI-PHDIDXHHSA-N 0 0 197.263 1.066 10 0 ADAERN CO[C@@H](C)[C@](C)(O)c1ccc[nH]1 306453227 345312998 /nfs/dbraw/zinc/31/29/98/345312998.db2.gz WVZGFYAXVCADPS-CBAPKCEASA-N 0 0 169.224 1.257 10 0 ADAERN CO[C@H](C)[C@](C)(O)c1ccc[nH]1 306453226 345313007 /nfs/dbraw/zinc/31/30/07/345313007.db2.gz WVZGFYAXVCADPS-APPZFPTMSA-N 0 0 169.224 1.257 10 0 ADAERN Cc1ccc(NCCF)c(N)c1 306452999 345313030 /nfs/dbraw/zinc/31/30/30/345313030.db2.gz IGDVXPXEJMOBEB-UHFFFAOYSA-N 0 0 168.215 1.959 10 0 ADAERN C[C@H]1CC[C@]1(C(=O)[O-])[NH+]1CCCC1 306453013 345313038 /nfs/dbraw/zinc/31/30/38/345313038.db2.gz ILHOSMGQXNOYQB-WPRPVWTQSA-N 0 0 183.251 1.336 10 0 ADAERN CO[C@H](C)[C@@](C)(O)c1ccc[nH]1 306453229 345313052 /nfs/dbraw/zinc/31/30/52/345313052.db2.gz WVZGFYAXVCADPS-VXNVDRBHSA-N 0 0 169.224 1.257 10 0 ADAERN C[C@H]([C@@H]1CCOC1)N1CC(F)C1 306452679 345313067 /nfs/dbraw/zinc/31/30/67/345313067.db2.gz WATLQZRUXNQYBJ-HTQZYQBOSA-N 0 0 173.231 1.065 10 0 ADAERN C[C@H]([C@H]1CCOC1)N1CC(F)C1 306452681 345313157 /nfs/dbraw/zinc/31/31/57/345313157.db2.gz WATLQZRUXNQYBJ-SFYZADRCSA-N 0 0 173.231 1.065 10 0 ADAERN C[C@@H]([C@H]1CCOC1)N1CC(F)C1 306452682 345313162 /nfs/dbraw/zinc/31/31/62/345313162.db2.gz WATLQZRUXNQYBJ-YUMQZZPRSA-N 0 0 173.231 1.065 10 0 ADAERN c1snnc1CN1CCCCO1 306453231 345313166 /nfs/dbraw/zinc/31/31/66/345313166.db2.gz WXAPIZRWJPKCAZ-UHFFFAOYSA-N 0 0 185.252 1.066 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1cnsn1 306453182 345313168 /nfs/dbraw/zinc/31/31/68/345313168.db2.gz NWHCQXHRKZJOBI-WDSKDSINSA-N 0 0 197.263 1.066 10 0 ADAERN C[C@H]1CC[C@@]1(C(=O)[O-])[NH+]1CCCC1 306453011 345313171 /nfs/dbraw/zinc/31/31/71/345313171.db2.gz ILHOSMGQXNOYQB-WCBMZHEXSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1cnsn1 306453181 345313176 /nfs/dbraw/zinc/31/31/76/345313176.db2.gz NWHCQXHRKZJOBI-RITPCOANSA-N 0 0 197.263 1.066 10 0 ADAERN C[C@H](C(=O)N(C)C)C1=CCCC1 306452688 345313184 /nfs/dbraw/zinc/31/31/84/345313184.db2.gz WBLQWGSWSGIACV-QMMMGPOBSA-N 0 0 167.252 1.821 10 0 ADAERN C[C@@H]1CC[C@@H]1n1cncc1C=O 306452627 345313186 /nfs/dbraw/zinc/31/31/86/345313186.db2.gz NFJMHYOXEHMYOC-APPZFPTMSA-N 0 0 164.208 1.667 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1cnsn1 306453179 345313233 /nfs/dbraw/zinc/31/32/33/345313233.db2.gz NWHCQXHRKZJOBI-NTSWFWBYSA-N 0 0 197.263 1.066 10 0 ADAERN CNC(=O)/C=C/c1ccc(C)nc1 306453576 345313488 /nfs/dbraw/zinc/31/34/88/345313488.db2.gz OGRFUNLDJZUEAU-AATRIKPKSA-N 0 0 176.219 1.149 10 0 ADAERN Nc1cccc(F)c1NCCF 306453460 345313494 /nfs/dbraw/zinc/31/34/94/345313494.db2.gz JKOMWTCEARJLRD-UHFFFAOYSA-N 0 0 172.178 1.789 10 0 ADAERN CCC1(C(=O)Nc2ncc[nH]2)CC1 306453398 345313499 /nfs/dbraw/zinc/31/34/99/345313499.db2.gz IWFDWBHLJXOHFM-UHFFFAOYSA-N 0 0 179.223 1.538 10 0 ADAERN F[C@H]1CC[C@H](Nc2cccnn2)C1 306453308 345313531 /nfs/dbraw/zinc/31/35/31/345313531.db2.gz XWVJPZNBEIVGLT-YUMQZZPRSA-N 0 0 181.214 1.779 10 0 ADAERN OC1(c2ccc[nH]2)CCOCC1 306453632 345313572 /nfs/dbraw/zinc/31/35/72/345313572.db2.gz XRXBZWAWXAJNMC-UHFFFAOYSA-N 0 0 167.208 1.013 10 0 ADAERN Cc1ncsc1[C@@H](C)NC(N)=O 306453741 345313575 /nfs/dbraw/zinc/31/35/75/345313575.db2.gz YPGMQIKTLVMAES-RXMQYKEDSA-N 0 0 185.252 1.181 10 0 ADAERN Cc1ncsc1[C@H](C)NC(N)=O 306453742 345313703 /nfs/dbraw/zinc/31/37/03/345313703.db2.gz YPGMQIKTLVMAES-YFKPBYRVSA-N 0 0 185.252 1.181 10 0 ADAERN F[C@H]1CC[C@@H](Nc2cccnn2)C1 306453306 345313706 /nfs/dbraw/zinc/31/37/06/345313706.db2.gz XWVJPZNBEIVGLT-JGVFFNPUSA-N 0 0 181.214 1.779 10 0 ADAERN F[C@@H]1CC[C@@H](Nc2cccnn2)C1 306453305 345313730 /nfs/dbraw/zinc/31/37/30/345313730.db2.gz XWVJPZNBEIVGLT-HTQZYQBOSA-N 0 0 181.214 1.779 10 0 ADAERN C1=CC[C@@H](CN2CCCO2)CC1 306454118 345314068 /nfs/dbraw/zinc/31/40/68/345314068.db2.gz YIMPUESLDNSOJJ-SNVBAGLBSA-N 0 0 167.252 1.980 10 0 ADAERN CC[C@@H](C)c1nn(CC)cc1N 306454102 345314160 /nfs/dbraw/zinc/31/41/60/345314160.db2.gz YGJIKSMIWVCRFO-SSDOTTSWSA-N 0 0 167.256 1.999 10 0 ADAERN C1=CC[C@H](CN2CCCO2)CC1 306454116 345314110 /nfs/dbraw/zinc/31/41/10/345314110.db2.gz YIMPUESLDNSOJJ-JTQLQIEISA-N 0 0 167.252 1.980 10 0 ADAERN CC[C@H](C)c1nn(CC)cc1N 306454104 345314113 /nfs/dbraw/zinc/31/41/13/345314113.db2.gz YGJIKSMIWVCRFO-ZETCQYMHSA-N 0 0 167.256 1.999 10 0 ADAERN Cc1nc(C2=NC(=O)CS2)co1 306454305 345314398 /nfs/dbraw/zinc/31/43/98/345314398.db2.gz ZYCDJQMPOLRGNX-UHFFFAOYSA-N 0 0 182.204 1.812 10 0 ADAERN CNC(=S)N1CCC[C@@H]1C(F)F 306454492 345314407 /nfs/dbraw/zinc/31/44/07/345314407.db2.gz ZJMBCRPJTJLOMI-RXMQYKEDSA-N 0 0 194.250 1.220 10 0 ADAERN CC[C@H]1CC[C@@H](C)N(C(N)=S)C1 306454927 345314436 /nfs/dbraw/zinc/31/44/36/345314436.db2.gz NBTISWLNXWLOTD-SFYZADRCSA-N 0 0 186.324 1.741 10 0 ADAERN O=C1N[C@]2(CCC[C@@H]3C[C@@H]32)CO1 306454810 345314453 /nfs/dbraw/zinc/31/44/53/345314453.db2.gz MCMABRAHLKXQMG-BKPPORCPSA-N 0 0 167.208 1.285 10 0 ADAERN CC[C@H]1CC[C@H](C)N(C(N)=S)C1 306454929 345314455 /nfs/dbraw/zinc/31/44/55/345314455.db2.gz NBTISWLNXWLOTD-YUMQZZPRSA-N 0 0 186.324 1.741 10 0 ADAERN COC1CC(Nc2nc(C)co2)C1 306454390 345314495 /nfs/dbraw/zinc/31/44/95/345314495.db2.gz PKQRGIWDPIGFRB-UHFFFAOYSA-N 0 0 182.223 1.572 10 0 ADAERN CC[C@H](O)c1noc(C2(C)CC2)n1 306454814 345314507 /nfs/dbraw/zinc/31/45/07/345314507.db2.gz MCXHJBGHMMJNTR-LURJTMIESA-N 0 0 182.223 1.565 10 0 ADAERN CC(C)(C(=O)NC(N)=O)C1CCC1 306454323 345314539 /nfs/dbraw/zinc/31/45/39/345314539.db2.gz PALBRXXCYZQVAO-UHFFFAOYSA-N 0 0 184.239 1.008 10 0 ADAERN CC[C@@H](O)c1noc(C2(C)CC2)n1 306454815 345314554 /nfs/dbraw/zinc/31/45/54/345314554.db2.gz MCXHJBGHMMJNTR-ZCFIWIBFSA-N 0 0 182.223 1.565 10 0 ADAERN O=C1N[C@]2(CCC[C@H]3C[C@H]32)CO1 306454811 345314563 /nfs/dbraw/zinc/31/45/63/345314563.db2.gz MCMABRAHLKXQMG-LKEWCRSYSA-N 0 0 167.208 1.285 10 0 ADAERN CC(C)n1cc(/C=C/[N+](=O)[O-])nn1 306454516 345314588 /nfs/dbraw/zinc/31/45/88/345314588.db2.gz LRWQFKASUDZUIU-ONEGZZNKSA-N 0 0 182.183 1.106 10 0 ADAERN CC[C@@H]1CC[C@@H](C)N(C(N)=S)C1 306454926 345314593 /nfs/dbraw/zinc/31/45/93/345314593.db2.gz NBTISWLNXWLOTD-HTQZYQBOSA-N 0 0 186.324 1.741 10 0 ADAERN CNC(=O)c1cc(SC)c(C)o1 306455050 345314871 /nfs/dbraw/zinc/31/48/71/345314871.db2.gz ABNPQINQHCWSEK-UHFFFAOYSA-N 0 0 185.248 1.670 10 0 ADAERN NC(=O)c1cnoc1-c1ccco1 306454983 345314898 /nfs/dbraw/zinc/31/48/98/345314898.db2.gz ZVZUXWGEUBQRPC-UHFFFAOYSA-N 0 0 178.147 1.034 10 0 ADAERN O=Cc1cc(N2CC=CC2)cs1 306455219 345314899 /nfs/dbraw/zinc/31/48/99/345314899.db2.gz AIOUEDPREDTTPU-UHFFFAOYSA-N 0 0 179.244 1.937 10 0 ADAERN CCC1([C@@H](O)c2cncnc2)CC1 306455256 345315002 /nfs/dbraw/zinc/31/50/02/345315002.db2.gz NQNNJSCQPXFNMT-VIFPVBQESA-N 0 0 178.235 1.700 10 0 ADAERN O=C1c2ccsc2CCN1CCF 306455920 345315224 /nfs/dbraw/zinc/31/52/24/345315224.db2.gz QNWXWIGEVKSOAL-UHFFFAOYSA-N 0 0 199.250 1.716 10 0 ADAERN Nc1ccc(NCCF)c(F)c1 306455453 345315281 /nfs/dbraw/zinc/31/52/81/345315281.db2.gz OLQQMQBTLLZPFY-UHFFFAOYSA-N 0 0 172.178 1.789 10 0 ADAERN Cc1cc(NCCF)nc(Cl)n1 306455869 345315295 /nfs/dbraw/zinc/31/52/95/345315295.db2.gz PYEVHMNNJPGOQA-UHFFFAOYSA-N 0 0 189.621 1.820 10 0 ADAERN Cc1nnc(NCC2(C)CCC2)o1 306455434 345315390 /nfs/dbraw/zinc/31/53/90/345315390.db2.gz QRLHJTYUSOXOHF-UHFFFAOYSA-N 0 0 181.239 1.980 10 0 ADAERN Cc1ccc(N)cc1NCCF 306455827 345315581 /nfs/dbraw/zinc/31/55/81/345315581.db2.gz PKPOFYCDJJBIAW-UHFFFAOYSA-N 0 0 168.215 1.959 10 0 ADAERN Cc1csc2c(NO)ncnc12 306455525 345315450 /nfs/dbraw/zinc/31/54/50/345315450.db2.gz PFMNGOINIRDWPU-UHFFFAOYSA-N 0 0 181.220 1.801 10 0 ADAERN Cc1c(CNc2ccon2)cnn1C 306455735 345315525 /nfs/dbraw/zinc/31/55/25/345315525.db2.gz QZNJQBOKHABMIO-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN C[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2C)C1 306455733 345315548 /nfs/dbraw/zinc/31/55/48/345315548.db2.gz QZDBDSSXMDMTON-DJLDLDEBSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2C)C1 306455734 345315628 /nfs/dbraw/zinc/31/56/28/345315628.db2.gz QZDBDSSXMDMTON-IWSPIJDZSA-N 0 0 182.267 1.446 10 0 ADAERN Cc1cc2c(N(C)C)nccn2n1 306456360 345315844 /nfs/dbraw/zinc/31/58/44/345315844.db2.gz SQAGZIXUOHDGTM-UHFFFAOYSA-N 0 0 176.223 1.104 10 0 ADAERN CC1(C)CC[C@@H]1n1c(=O)[nH][nH]c1=S 306456311 345315937 /nfs/dbraw/zinc/31/59/37/345315937.db2.gz SEFSDNPYIBOUDX-YFKPBYRVSA-N 0 0 199.279 1.221 10 0 ADAERN CNc1cnc(-c2ccco2)cn1 306456144 345315963 /nfs/dbraw/zinc/31/59/63/345315963.db2.gz RGLZKDMZIJVAMG-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN Cc1nc(CNc2c[nH]cn2)c[nH]1 306456197 345315997 /nfs/dbraw/zinc/31/59/97/345315997.db2.gz RUNRPMPJGBEATD-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN COC(=O)c1[nH]ccc2ccnc1-2 306456337 345316074 /nfs/dbraw/zinc/31/60/74/345316074.db2.gz SKHZBFOWXXMUQH-UHFFFAOYSA-N 0 0 176.175 1.301 10 0 ADAERN O=C1CSC(c2ncccn2)=N1 306456175 345316104 /nfs/dbraw/zinc/31/61/04/345316104.db2.gz RUBQKLVASXTAGU-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN CC(=O)N[C@@H]1[C@@H](C)CC[C@H]1C 306456445 345316107 /nfs/dbraw/zinc/31/61/07/345316107.db2.gz SJUAHFHOCDKKDQ-QMSLJYSESA-N 0 0 155.241 1.557 10 0 ADAERN CC1(C)CC[C@H]1n1c(=O)[nH][nH]c1=S 306456310 345316114 /nfs/dbraw/zinc/31/61/14/345316114.db2.gz SEFSDNPYIBOUDX-RXMQYKEDSA-N 0 0 199.279 1.221 10 0 ADAERN CC(=O)NC1[C@@H](C)CC[C@@H]1C 306456444 345316155 /nfs/dbraw/zinc/31/61/55/345316155.db2.gz SJUAHFHOCDKKDQ-BQBZGAKWSA-N 0 0 155.241 1.557 10 0 ADAERN CC(=O)NC1[C@H](C)CC[C@H]1C 306456446 345316187 /nfs/dbraw/zinc/31/61/87/345316187.db2.gz SJUAHFHOCDKKDQ-RNFRBKRXSA-N 0 0 155.241 1.557 10 0 ADAERN CCc1nc(N2CCC2)sc1C=O 306456295 345316230 /nfs/dbraw/zinc/31/62/30/345316230.db2.gz SCJSUUHXTKRYBN-UHFFFAOYSA-N 0 0 196.275 1.728 10 0 ADAERN CC(C)[C@H](C)C(=O)c1ncnn1C 306456846 345316408 /nfs/dbraw/zinc/31/64/08/345316408.db2.gz WUYOSQYMLJNMRQ-ZETCQYMHSA-N 0 0 181.239 1.290 10 0 ADAERN COc1cncnc1N1CCCC1 306456812 345316534 /nfs/dbraw/zinc/31/65/34/345316534.db2.gz WGMRDMQCMIVVFH-UHFFFAOYSA-N 0 0 179.223 1.085 10 0 ADAERN COc1cnc(C2CCC2)nc1N 306456976 345316648 /nfs/dbraw/zinc/31/66/48/345316648.db2.gz XTOFYURHBRIUQB-UHFFFAOYSA-N 0 0 179.223 1.335 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]2C[C@@H]21 306456611 345316698 /nfs/dbraw/zinc/31/66/98/345316698.db2.gz SWPCFPNDAIEHEY-JXUBOQSCSA-N 0 0 179.263 1.653 10 0 ADAERN O=C(Nc1cc[nH]n1)C(F)(F)Cl 306456723 345316701 /nfs/dbraw/zinc/31/67/01/345316701.db2.gz TYTPZRIHHYDCNA-UHFFFAOYSA-N 0 0 195.556 1.180 10 0 ADAERN CC(C)[C@@H](C)C(=O)c1ncnn1C 306456844 345316714 /nfs/dbraw/zinc/31/67/14/345316714.db2.gz WUYOSQYMLJNMRQ-SSDOTTSWSA-N 0 0 181.239 1.290 10 0 ADAERN O[C@@H]1CCC[C@H](Cc2csnn2)C1 306457185 345316834 /nfs/dbraw/zinc/31/68/34/345316834.db2.gz YRABEASQYIULNV-VXNVDRBHSA-N 0 0 198.291 1.632 10 0 ADAERN O[C@H]1CCC[C@H](Cc2csnn2)C1 306457182 345316893 /nfs/dbraw/zinc/31/68/93/345316893.db2.gz YRABEASQYIULNV-APPZFPTMSA-N 0 0 198.291 1.632 10 0 ADAERN OCC1(Cc2csnn2)CCCC1 306456995 345316901 /nfs/dbraw/zinc/31/69/01/345316901.db2.gz XYNZTCJGSQLCEX-UHFFFAOYSA-N 0 0 198.291 1.633 10 0 ADAERN ONc1cccc(C(F)(F)F)n1 306457425 345316945 /nfs/dbraw/zinc/31/69/45/345316945.db2.gz ZAXSBNWAGRFWQG-UHFFFAOYSA-N 0 0 178.113 1.902 10 0 ADAERN O=C(c1ccc[nH]1)c1cncs1 306457154 345316949 /nfs/dbraw/zinc/31/69/49/345316949.db2.gz YJROEFZKNQZTFT-UHFFFAOYSA-N 0 0 178.216 1.702 10 0 ADAERN CC1(C)CN(C(N)=S)[C@@H]2CCC[C@H]21 306457544 345317044 /nfs/dbraw/zinc/31/70/44/345317044.db2.gz VNJQDPLRXKJSPE-HTQZYQBOSA-N 0 0 198.335 1.741 10 0 ADAERN O=c1nccc(C2=CCCC2)[nH]1 306457211 345317050 /nfs/dbraw/zinc/31/70/50/345317050.db2.gz YSKFKTDUTGXLGS-UHFFFAOYSA-N 0 0 162.192 1.750 10 0 ADAERN CN(C[C@H]1CCCO1)c1ncns1 306457342 345317058 /nfs/dbraw/zinc/31/70/58/345317058.db2.gz VEZNUFPRKVCTED-SSDOTTSWSA-N 0 0 199.279 1.153 10 0 ADAERN CN(C[C@@H]1CCCO1)c1ncns1 306457343 345317113 /nfs/dbraw/zinc/31/71/13/345317113.db2.gz VEZNUFPRKVCTED-ZETCQYMHSA-N 0 0 199.279 1.153 10 0 ADAERN O[C@@H]1CCC[C@@H](Cc2csnn2)C1 306457184 345317119 /nfs/dbraw/zinc/31/71/19/345317119.db2.gz YRABEASQYIULNV-IONNQARKSA-N 0 0 198.291 1.632 10 0 ADAERN Cc1cnc(NC(C)(C)C)nc1 306457153 345317121 /nfs/dbraw/zinc/31/71/21/345317121.db2.gz YJGIFJVVIAVPRN-UHFFFAOYSA-N 0 0 165.240 1.995 10 0 ADAERN CCc1nc(C(C)=O)cn1CC 306457460 345317140 /nfs/dbraw/zinc/31/71/40/345317140.db2.gz ZNFSLZMZGVFNQD-UHFFFAOYSA-N 0 0 166.224 1.668 10 0 ADAERN CC1(C)CN(C(N)=S)[C@@H]2CCC[C@@H]21 306457545 345317193 /nfs/dbraw/zinc/31/71/93/345317193.db2.gz VNJQDPLRXKJSPE-JGVFFNPUSA-N 0 0 198.335 1.741 10 0 ADAERN CC1(C)CN(C(N)=S)[C@H]2CCC[C@H]21 306457546 345317210 /nfs/dbraw/zinc/31/72/10/345317210.db2.gz VNJQDPLRXKJSPE-SFYZADRCSA-N 0 0 198.335 1.741 10 0 ADAERN CC1(C)CN(C(N)=S)[C@H]2CCC[C@@H]21 306457548 345317247 /nfs/dbraw/zinc/31/72/47/345317247.db2.gz VNJQDPLRXKJSPE-YUMQZZPRSA-N 0 0 198.335 1.741 10 0 ADAERN O[C@H]1CCC[C@@H](Cc2csnn2)C1 306457183 345317254 /nfs/dbraw/zinc/31/72/54/345317254.db2.gz YRABEASQYIULNV-CBAPKCEASA-N 0 0 198.291 1.632 10 0 ADAERN CCc1ccc(-n2[nH]ccc2=O)cc1 306457623 345317433 /nfs/dbraw/zinc/31/74/33/345317433.db2.gz BFQDSJHKVNIYCV-UHFFFAOYSA-N 0 0 188.230 1.972 10 0 ADAERN C[C@]1(C2CCC2)CCC(=O)NC1 306458078 345317458 /nfs/dbraw/zinc/31/74/58/345317458.db2.gz XOTURJWPLJVVRW-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN Cc1cnc(NC(=O)C2=CCC2)o1 306458176 345317462 /nfs/dbraw/zinc/31/74/62/345317462.db2.gz YAWCMAQKCNXFBA-UHFFFAOYSA-N 0 0 178.191 1.642 10 0 ADAERN Cc1oncc1NC1CSC1 306458086 345317575 /nfs/dbraw/zinc/31/75/75/345317575.db2.gz XPIKDCYCOYRKID-UHFFFAOYSA-N 0 0 170.237 1.510 10 0 ADAERN C[C@@]1(C2CCC2)CCC(=O)NC1 306458079 345317675 /nfs/dbraw/zinc/31/76/75/345317675.db2.gz XOTURJWPLJVVRW-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN S=c1[nH]c([C@@H]2CCCO2)co1 306458919 345318006 /nfs/dbraw/zinc/31/80/06/345318006.db2.gz FYALIGPPULLPNI-LURJTMIESA-N 0 0 171.221 1.815 10 0 ADAERN Clc1nc(Cl)c2n[nH]cc2n1 306458880 345318027 /nfs/dbraw/zinc/31/80/27/345318027.db2.gz FXJOVWFHPFSGJJ-UHFFFAOYSA-N 0 0 189.005 1.611 10 0 ADAERN S=c1[nH]c([C@H]2CCCO2)co1 306458922 345318070 /nfs/dbraw/zinc/31/80/70/345318070.db2.gz FYALIGPPULLPNI-ZCFIWIBFSA-N 0 0 171.221 1.815 10 0 ADAERN Cc1cncc(NCC(F)F)n1 306458538 345318081 /nfs/dbraw/zinc/31/80/81/345318081.db2.gz ZORWCXRECVVFQH-UHFFFAOYSA-N 0 0 173.166 1.462 10 0 ADAERN C[C@@H](CC1(C)CCC1)NN 306458759 345318097 /nfs/dbraw/zinc/31/80/97/345318097.db2.gz DDPKZRQYMUQXSE-ZETCQYMHSA-N 0 0 142.246 1.419 10 0 ADAERN CSC(C)(C)c1noc(C)n1 306458773 345318170 /nfs/dbraw/zinc/31/81/70/345318170.db2.gz FUIQIWWUCYFXMI-UHFFFAOYSA-N 0 0 172.253 1.976 10 0 ADAERN Cn1ccc(-c2cnc(C=O)s2)n1 306458296 345318198 /nfs/dbraw/zinc/31/81/98/345318198.db2.gz YOLXHPZRMPRISX-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN C[C@H](CC1(C)CCC1)NN 306458753 345318203 /nfs/dbraw/zinc/31/82/03/345318203.db2.gz DDPKZRQYMUQXSE-SSDOTTSWSA-N 0 0 142.246 1.419 10 0 ADAERN COc1ncc(/C=C/CO)s1 306459412 345318457 /nfs/dbraw/zinc/31/84/57/345318457.db2.gz GNGHKDZBCSSSIO-NSCUHMNNSA-N 0 0 171.221 1.157 10 0 ADAERN CO[C@H](C)Cn1ccc(Cl)n1 306459069 345318480 /nfs/dbraw/zinc/31/84/80/345318480.db2.gz DLQIQMJMCSZTKF-ZCFIWIBFSA-N 0 0 174.631 1.571 10 0 ADAERN Cc1nsc(NCCCF)n1 306459493 345318485 /nfs/dbraw/zinc/31/84/85/345318485.db2.gz GUXYVXTZOXCFOI-UHFFFAOYSA-N 0 0 175.232 1.618 10 0 ADAERN COC(=O)CSCSC 306459269 345318511 /nfs/dbraw/zinc/31/85/11/345318511.db2.gz DTDIWWVQXKCNEO-UHFFFAOYSA-N 0 0 166.267 1.213 10 0 ADAERN CC(C)[C@@](C)(O)c1ccc[nH]1 306459108 345318514 /nfs/dbraw/zinc/31/85/14/345318514.db2.gz GHJHAMRQZHPZBB-SECBINFHSA-N 0 0 153.225 1.878 10 0 ADAERN FC1(F)CC(Nc2cccnn2)C1 306459243 345318518 /nfs/dbraw/zinc/31/85/18/345318518.db2.gz DQFASJQKEYCTGR-UHFFFAOYSA-N 0 0 185.177 1.686 10 0 ADAERN CO[C@@H](C)Cn1ccc(Cl)n1 306459065 345318587 /nfs/dbraw/zinc/31/85/87/345318587.db2.gz DLQIQMJMCSZTKF-LURJTMIESA-N 0 0 174.631 1.571 10 0 ADAERN COCC(=O)c1ccc(C)c(C)n1 306458976 345318660 /nfs/dbraw/zinc/31/86/60/345318660.db2.gz DFCJCNLAMRIJOB-UHFFFAOYSA-N 0 0 179.219 1.528 10 0 ADAERN OCc1ccncc1NCC1CC1 306459246 345318684 /nfs/dbraw/zinc/31/86/84/345318684.db2.gz DQRZIAAMNDLOJN-UHFFFAOYSA-N 0 0 178.235 1.396 10 0 ADAERN CCCNc1nc(CO)cs1 306459385 345318714 /nfs/dbraw/zinc/31/87/14/345318714.db2.gz GLEYGHMEOOIZDR-UHFFFAOYSA-N 0 0 172.253 1.457 10 0 ADAERN CC(C)[C@](C)(O)c1ccc[nH]1 306459344 345318737 /nfs/dbraw/zinc/31/87/37/345318737.db2.gz GHJHAMRQZHPZBB-VIFPVBQESA-N 0 0 153.225 1.878 10 0 ADAERN CC[C@@H]1CCN1Cc1ccn(C)n1 306459162 345318763 /nfs/dbraw/zinc/31/87/63/345318763.db2.gz BQPJAHJWYGWZNI-SNVBAGLBSA-N 0 0 179.267 1.404 10 0 ADAERN CC[C@H]1CCN1Cc1ccn(C)n1 306459161 345318788 /nfs/dbraw/zinc/31/87/88/345318788.db2.gz BQPJAHJWYGWZNI-JTQLQIEISA-N 0 0 179.267 1.404 10 0 ADAERN Cc1oncc1NC(=O)C(C)(C)F 306458967 345318864 /nfs/dbraw/zinc/31/88/64/345318864.db2.gz DFBKCCCSHDOJHJ-UHFFFAOYSA-N 0 0 186.186 1.670 10 0 ADAERN Cc1nc(N)c(Cl)cc1CO 306459975 345319074 /nfs/dbraw/zinc/31/90/74/345319074.db2.gz HECVNDUKNWUMQQ-UHFFFAOYSA-N 0 0 172.615 1.118 10 0 ADAERN CN(C)C(=O)Nc1cccs1 306460027 345319382 /nfs/dbraw/zinc/31/93/82/345319382.db2.gz HIPRBLSDHPEHOW-UHFFFAOYSA-N 0 0 170.237 1.842 10 0 ADAERN Cc1cc(N2CCCC2)nnc1C 306460269 345319672 /nfs/dbraw/zinc/31/96/72/345319672.db2.gz BZNKJCVLCLHRCU-UHFFFAOYSA-N 0 0 177.251 1.694 10 0 ADAERN CC(C)(F)C(=O)N1CC[C@](C)(F)C1 306460559 345319779 /nfs/dbraw/zinc/31/97/79/345319779.db2.gz CPOGRPVMPFRBQF-VIFPVBQESA-N 0 0 191.221 1.695 10 0 ADAERN CCc1nc([C@H](C)OC)no1 306460054 345319870 /nfs/dbraw/zinc/31/98/70/345319870.db2.gz HNAWKDITGXAZAX-YFKPBYRVSA-N 0 0 156.185 1.339 10 0 ADAERN CC(C)=CCNc1c[nH]cn1 306460070 345319942 /nfs/dbraw/zinc/31/99/42/345319942.db2.gz HPMDJEBVZLACLJ-UHFFFAOYSA-N 0 0 151.213 1.788 10 0 ADAERN CC(C)(F)C(=O)N1CC[C@@](C)(F)C1 306460556 345319978 /nfs/dbraw/zinc/31/99/78/345319978.db2.gz CPOGRPVMPFRBQF-SECBINFHSA-N 0 0 191.221 1.695 10 0 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/nfs/dbraw/zinc/34/81/39/345348139.db2.gz GCHZMVVFQPJJNR-YFKPBYRVSA-N 0 0 170.168 1.092 10 0 ADAERN CSCc1cn[nH]c1 306480140 345348154 /nfs/dbraw/zinc/34/81/54/345348154.db2.gz HIBWERZDLKNGOB-UHFFFAOYSA-N 0 0 128.200 1.273 10 0 ADAERN C[C@@H]1C[C@@](O)(C(F)F)[C@@H]1C 306480225 345348157 /nfs/dbraw/zinc/34/81/57/345348157.db2.gz IKBZXAAAIQRFSC-XAHCXIQSSA-N 0 0 150.168 1.659 10 0 ADAERN c1n[nH]cc1-c1nc(C2CC2)no1 306480320 345348181 /nfs/dbraw/zinc/34/81/81/345348181.db2.gz BVGURLCHSZNKKT-UHFFFAOYSA-N 0 0 176.179 1.337 10 0 ADAERN Cc1ccn(Cc2snnc2C)n1 306481072 345349130 /nfs/dbraw/zinc/34/91/30/345349130.db2.gz CWKPMJQGVWMAEF-UHFFFAOYSA-N 0 0 194.263 1.400 10 0 ADAERN C[C@H](NN)c1ccc2c(n1)CCC2 306480788 345348444 /nfs/dbraw/zinc/34/84/44/345348444.db2.gz NOVHHLYEHAFJBB-ZETCQYMHSA-N 0 0 177.251 1.095 10 0 ADAERN FC1(F)CCC[C@H]1NC1CSC1 306480802 345348450 /nfs/dbraw/zinc/34/84/50/345348450.db2.gz NSMCJQJSZQRKFV-SSDOTTSWSA-N 0 0 193.262 1.879 10 0 ADAERN CNc1ccn(-c2nccs2)n1 306480762 345348479 /nfs/dbraw/zinc/34/84/79/345348479.db2.gz NLMYMVDQQUIHEI-UHFFFAOYSA-N 0 0 180.236 1.371 10 0 ADAERN CC(C)C1CN(c2cccnn2)C1 306480378 345348504 /nfs/dbraw/zinc/34/85/04/345348504.db2.gz CATPYWTWQWPGRU-UHFFFAOYSA-N 0 0 177.251 1.569 10 0 ADAERN C[C@@H](NN)c1ccc2c(n1)CCC2 306480787 345348587 /nfs/dbraw/zinc/34/85/87/345348587.db2.gz NOVHHLYEHAFJBB-SSDOTTSWSA-N 0 0 177.251 1.095 10 0 ADAERN CCC[N@@H+]1CCC[C@@H]1CF 306480613 345348594 /nfs/dbraw/zinc/34/85/94/345348594.db2.gz KRQYJYZNXOUBOC-MRVPVSSYSA-N 0 0 145.221 1.830 10 0 ADAERN CC(=O)NCc1cccc(Cl)n1 306480555 345348638 /nfs/dbraw/zinc/34/86/38/345348638.db2.gz KQKXBQFYNMVCRI-UHFFFAOYSA-N 0 0 184.626 1.371 10 0 ADAERN CCC[N@@H+]1CCC[C@H]1CF 306480623 345348690 /nfs/dbraw/zinc/34/86/90/345348690.db2.gz KRQYJYZNXOUBOC-QMMMGPOBSA-N 0 0 145.221 1.830 10 0 ADAERN CN(Cc1cc[nH]n1)c1nccs1 306480380 345348752 /nfs/dbraw/zinc/34/87/52/345348752.db2.gz CBHMUVHPTDBTHL-UHFFFAOYSA-N 0 0 194.263 1.503 10 0 ADAERN Cc1csc(-c2nc(N)n(C)n2)c1 306481070 345349125 /nfs/dbraw/zinc/34/91/25/345349125.db2.gz CWHPJUGYDVUTGK-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1ccc([C@@]2(O)C[C@@H]2C)nc1C 306481227 345349247 /nfs/dbraw/zinc/34/92/47/345349247.db2.gz JQBNUMDWQXGWSS-GZMMTYOYSA-N 0 0 177.247 1.926 10 0 ADAERN Cc1ccc([C@]2(O)C[C@@H]2C)nc1C 306481229 345349287 /nfs/dbraw/zinc/34/92/87/345349287.db2.gz JQBNUMDWQXGWSS-KWQFWETISA-N 0 0 177.247 1.926 10 0 ADAERN Cc1ccc([C@]2(O)C[C@H]2C)nc1C 306481228 345349294 /nfs/dbraw/zinc/34/92/94/345349294.db2.gz JQBNUMDWQXGWSS-KCJUWKMLSA-N 0 0 177.247 1.926 10 0 ADAERN FC1(F)CCC[C@@H]1NC1CSC1 306481350 345349346 /nfs/dbraw/zinc/34/93/46/345349346.db2.gz NSMCJQJSZQRKFV-ZETCQYMHSA-N 0 0 193.262 1.879 10 0 ADAERN Cc1ccc([C@@]2(O)C[C@H]2C)nc1C 306481231 345349401 /nfs/dbraw/zinc/34/94/01/345349401.db2.gz JQBNUMDWQXGWSS-LDYMZIIASA-N 0 0 177.247 1.926 10 0 ADAERN CC(C)=CC(=O)N1CC(C(F)F)C1 306481102 345349415 /nfs/dbraw/zinc/34/94/15/345349415.db2.gz CYXJELCHPPWHIT-UHFFFAOYSA-N 0 0 189.205 1.676 10 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306492425 345364820 /nfs/dbraw/zinc/36/48/20/345364820.db2.gz PFSBSIWHGYPFBP-ZETCQYMHSA-N 0 0 168.240 1.248 10 0 ADAERN C[C@@H]1C[C@@H]1C1(C)CC(=O)NC(=O)C1 306492314 345364842 /nfs/dbraw/zinc/36/48/42/345364842.db2.gz XCJGXZVUDYOHEP-RQJHMYQMSA-N 0 0 181.235 1.085 10 0 ADAERN CC[C@@](O)(c1cn(C)cn1)C1CCC1 306492265 345364868 /nfs/dbraw/zinc/36/48/68/345364868.db2.gz PSJQMSHTYYENHM-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN C[C@@H](O)C(=O)OC1(C)CCCC1 306492458 345364903 /nfs/dbraw/zinc/36/49/03/345364903.db2.gz PRTDDGWCCKVJSV-SSDOTTSWSA-N 0 0 172.224 1.243 10 0 ADAERN CC[C@](O)(c1cn(C)cn1)C1CCC1 306492264 345364957 /nfs/dbraw/zinc/36/49/57/345364957.db2.gz PSJQMSHTYYENHM-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN Cc1cc(C(=O)OC2CC2)co1 306492421 345364995 /nfs/dbraw/zinc/36/49/95/345364995.db2.gz PFENIMHQXRROJP-UHFFFAOYSA-N 0 0 166.176 1.907 10 0 ADAERN Cc1occc1[C@H]1CC[C@H](CO)O1 306492987 345365775 /nfs/dbraw/zinc/36/57/75/345365775.db2.gz YFKIVLJTRYUBGB-PSASIEDQSA-N 0 0 182.219 1.800 10 0 ADAERN Cc1occc1[C@@H]1CC[C@@H](CO)O1 306492990 345365731 /nfs/dbraw/zinc/36/57/31/345365731.db2.gz YFKIVLJTRYUBGB-WPRPVWTQSA-N 0 0 182.219 1.800 10 0 ADAERN C[C@@H](N[C@@H]1CCN(C)C1)C(F)(F)F 306493209 345365803 /nfs/dbraw/zinc/36/58/03/345365803.db2.gz RDDSDSQMXCYETP-RNFRBKRXSA-N 0 0 196.216 1.231 10 0 ADAERN C[C@H](N[C@@H]1CCN(C)C1)C(F)(F)F 306493207 345365846 /nfs/dbraw/zinc/36/58/46/345365846.db2.gz RDDSDSQMXCYETP-NKWVEPMBSA-N 0 0 196.216 1.231 10 0 ADAERN Cc1occc1[C@@H]1CC[C@H](CO)O1 306492988 345365919 /nfs/dbraw/zinc/36/59/19/345365919.db2.gz YFKIVLJTRYUBGB-SCZZXKLOSA-N 0 0 182.219 1.800 10 0 ADAERN C[C@H]1CCN(c2cncc(=O)[nH]2)C1 306493022 345365928 /nfs/dbraw/zinc/36/59/28/345365928.db2.gz YLUOODFWVOKQLS-ZETCQYMHSA-N 0 0 179.223 1.028 10 0 ADAERN C[C@H](N[C@H]1CCN(C)C1)C(F)(F)F 306493206 345365994 /nfs/dbraw/zinc/36/59/94/345365994.db2.gz RDDSDSQMXCYETP-BQBZGAKWSA-N 0 0 196.216 1.231 10 0 ADAERN Cc1occc1[C@H]1CC[C@@H](CO)O1 306492989 345366063 /nfs/dbraw/zinc/36/60/63/345366063.db2.gz YFKIVLJTRYUBGB-WCBMZHEXSA-N 0 0 182.219 1.800 10 0 ADAERN C[C@@H]1CCN(c2cncc(=O)[nH]2)C1 306493021 345366126 /nfs/dbraw/zinc/36/61/26/345366126.db2.gz YLUOODFWVOKQLS-SSDOTTSWSA-N 0 0 179.223 1.028 10 0 ADAERN C[C@@H](N[C@H]1CCN(C)C1)C(F)(F)F 306493210 345366128 /nfs/dbraw/zinc/36/61/28/345366128.db2.gz RDDSDSQMXCYETP-RQJHMYQMSA-N 0 0 196.216 1.231 10 0 ADAERN CC(=O)N[C@@H](C)c1nc(C)c(C)[nH]1 306493479 345366546 /nfs/dbraw/zinc/36/65/46/345366546.db2.gz ZEVJQDSHTTWVIJ-ZETCQYMHSA-N 0 0 181.239 1.224 10 0 ADAERN CCCc1nc(C)c(OC)c(=O)[nH]1 306493397 345366658 /nfs/dbraw/zinc/36/66/58/345366658.db2.gz RVPYSCXSAVPEEN-UHFFFAOYSA-N 0 0 182.223 1.452 10 0 ADAERN CC(=O)N[C@H](C)c1nc(C)c(C)[nH]1 306493475 345366776 /nfs/dbraw/zinc/36/67/76/345366776.db2.gz ZEVJQDSHTTWVIJ-SSDOTTSWSA-N 0 0 181.239 1.224 10 0 ADAERN OC1(CCn2ccc(Cl)n2)CC1 306494069 345367002 /nfs/dbraw/zinc/36/70/02/345367002.db2.gz WNTLYFVAANLQQB-UHFFFAOYSA-N 0 0 186.642 1.452 10 0 ADAERN Cc1cc(C(=O)N2CC2)c(C)o1 306494031 345367134 /nfs/dbraw/zinc/36/71/34/345367134.db2.gz WAJSWEJSJPPUHH-UHFFFAOYSA-N 0 0 165.192 1.352 10 0 ADAERN Cc1cnc([C@@H](C)NC2CSC2)o1 306493816 345367212 /nfs/dbraw/zinc/36/72/12/345367212.db2.gz SJISSYQFGJVDCY-SSDOTTSWSA-N 0 0 198.291 1.749 10 0 ADAERN Cc1cnc([C@H](C)NC2CSC2)o1 306493817 345367228 /nfs/dbraw/zinc/36/72/28/345367228.db2.gz SJISSYQFGJVDCY-ZETCQYMHSA-N 0 0 198.291 1.749 10 0 ADAERN Cc1cnn(Cc2ccno2)c1 306493997 345367282 /nfs/dbraw/zinc/36/72/82/345367282.db2.gz VUOZAPNCJWMANB-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN CS/C=C/C(=O)Nc1cnoc1 306494135 345367315 /nfs/dbraw/zinc/36/73/15/345367315.db2.gz WTQNVOBMXIZRKZ-NSCUHMNNSA-N 0 0 184.220 1.490 10 0 ADAERN c1ccc(OCc2ncno2)nc1 306493887 345367379 /nfs/dbraw/zinc/36/73/79/345367379.db2.gz SRYKNDXHBSEZHT-UHFFFAOYSA-N 0 0 177.163 1.044 10 0 ADAERN CN(C(N)=O)c1ccc(Cl)cn1 306493796 345367401 /nfs/dbraw/zinc/36/74/01/345367401.db2.gz ARWOICJDFHEGCX-UHFFFAOYSA-N 0 0 185.614 1.250 10 0 ADAERN CN(C(=O)C(F)(F)Cl)C1CCC1 306494495 345367715 /nfs/dbraw/zinc/36/77/15/345367715.db2.gz XKGMFBVWSYCCQE-UHFFFAOYSA-N 0 0 197.612 1.829 10 0 ADAERN Cc1cnc(N2CCSC2)nc1 306494573 345367718 /nfs/dbraw/zinc/36/77/18/345367718.db2.gz YDJQVOQOFFKQNZ-UHFFFAOYSA-N 0 0 181.264 1.296 10 0 ADAERN c1cnnc(N2CCCSCC2)c1 306494729 345367737 /nfs/dbraw/zinc/36/77/37/345367737.db2.gz UGUNRMKXCCTTDW-UHFFFAOYSA-N 0 0 195.291 1.420 10 0 ADAERN O=C(Nn1cccc1)c1ccc[nH]1 306494563 345367740 /nfs/dbraw/zinc/36/77/40/345367740.db2.gz PHWQLSMUZCOPDG-UHFFFAOYSA-N 0 0 175.191 1.200 10 0 ADAERN CN(C)c1noc(C2(C)CC2)n1 306494482 345367858 /nfs/dbraw/zinc/36/78/58/345367858.db2.gz XGFUMYWTEYAWNC-UHFFFAOYSA-N 0 0 167.212 1.187 10 0 ADAERN CCNC(=O)Nc1scnc1C 306494309 345367896 /nfs/dbraw/zinc/36/78/96/345367896.db2.gz BAZJSMWABUNXCD-UHFFFAOYSA-N 0 0 185.252 1.593 10 0 ADAERN CN(C)C(=O)N1C[C@@H]2CCC[C@H]21 306494587 345367914 /nfs/dbraw/zinc/36/79/14/345367914.db2.gz YGGSBSHAOAEOOL-JGVFFNPUSA-N 0 0 168.240 1.152 10 0 ADAERN C[C@H]1CCN1c1ccnc(Cl)n1 306494882 345368319 /nfs/dbraw/zinc/36/83/19/345368319.db2.gz BMBPKTRZYPISAR-LURJTMIESA-N 0 0 183.642 1.729 10 0 ADAERN C[C@@H]1CCN1c1ccnc(Cl)n1 306494883 345368337 /nfs/dbraw/zinc/36/83/37/345368337.db2.gz BMBPKTRZYPISAR-ZCFIWIBFSA-N 0 0 183.642 1.729 10 0 ADAERN C[C@H]1C[C@@H](C)N1Cc1csnn1 306494876 345368353 /nfs/dbraw/zinc/36/83/53/345368353.db2.gz BLJFKMIKNNVEKT-KNVOCYPGSA-N 0 0 183.280 1.521 10 0 ADAERN CSc1noc([C@@H]2CCCO2)n1 306494993 345368421 /nfs/dbraw/zinc/36/84/21/345368421.db2.gz ZWZOZTRHKDGHQF-YFKPBYRVSA-N 0 0 186.236 1.643 10 0 ADAERN CNC(=O)C[C@H](C)n1c(C)ccc1C 306495168 345368442 /nfs/dbraw/zinc/36/84/42/345368442.db2.gz VCFMQAGXUWZYCV-JTQLQIEISA-N 0 0 194.278 1.802 10 0 ADAERN c1csc(CCNc2nnco2)n1 306494740 345368511 /nfs/dbraw/zinc/36/85/11/345368511.db2.gz UIRRFXVBJXOAPP-UHFFFAOYSA-N 0 0 196.235 1.181 10 0 ADAERN C[C@H]1C[C@H](C)N1Cc1csnn1 306494875 345368538 /nfs/dbraw/zinc/36/85/38/345368538.db2.gz BLJFKMIKNNVEKT-BQBZGAKWSA-N 0 0 183.280 1.521 10 0 ADAERN CC(C)(c1n[nH]c(=O)o1)C1CCC1 306494773 345368543 /nfs/dbraw/zinc/36/85/43/345368543.db2.gz UOBFPRQBLOBZDR-UHFFFAOYSA-N 0 0 182.223 1.441 10 0 ADAERN CNC(=O)C[C@@H](C)n1c(C)ccc1C 306495170 345368563 /nfs/dbraw/zinc/36/85/63/345368563.db2.gz VCFMQAGXUWZYCV-SNVBAGLBSA-N 0 0 194.278 1.802 10 0 ADAERN CSc1noc([C@H]2CCCO2)n1 306494992 345368589 /nfs/dbraw/zinc/36/85/89/345368589.db2.gz ZWZOZTRHKDGHQF-RXMQYKEDSA-N 0 0 186.236 1.643 10 0 ADAERN CCC[C@]1(C2CCC2)C[NH2+]CCO1 306495495 345368827 /nfs/dbraw/zinc/36/88/27/345368827.db2.gz VRNUOVDMGLXKBD-LLVKDONJSA-N 0 0 183.295 1.945 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 306495395 345368838 /nfs/dbraw/zinc/36/88/38/345368838.db2.gz VIZQNHYLHXPMEA-XHNCKOQMSA-N 0 0 153.225 1.311 10 0 ADAERN c1nc(CNc2cnns2)co1 306495548 345368848 /nfs/dbraw/zinc/36/88/48/345368848.db2.gz BZAYBVMDLWKEFF-UHFFFAOYSA-N 0 0 182.208 1.138 10 0 ADAERN c1cnc(N[C@H]2C[C@H]2C2CC2)nc1 306495224 345368949 /nfs/dbraw/zinc/36/89/49/345368949.db2.gz BOVFTOFCJHLADU-IUCAKERBSA-N 0 0 175.235 1.687 10 0 ADAERN c1ccc2c(c1)CCN2C1COC1 306495212 345368970 /nfs/dbraw/zinc/36/89/70/345368970.db2.gz VGRPOQSOTMNTSE-UHFFFAOYSA-N 0 0 175.231 1.448 10 0 ADAERN c1cnc(N[C@@H]2C[C@@H]2C2CC2)nc1 306495225 345368973 /nfs/dbraw/zinc/36/89/73/345368973.db2.gz BOVFTOFCJHLADU-RKDXNWHRSA-N 0 0 175.235 1.687 10 0 ADAERN c1cnc(N[C@H]2C[C@@H]2C2CC2)nc1 306495222 345369129 /nfs/dbraw/zinc/36/91/29/345369129.db2.gz BOVFTOFCJHLADU-BDAKNGLRSA-N 0 0 175.235 1.687 10 0 ADAERN CCC[C@@]1(C2CCC2)C[NH2+]CCO1 306495497 345369172 /nfs/dbraw/zinc/36/91/72/345369172.db2.gz VRNUOVDMGLXKBD-NSHDSACASA-N 0 0 183.295 1.945 10 0 ADAERN CC[C@@]1(C2CCC2)CNC(=O)CO1 306495792 345369398 /nfs/dbraw/zinc/36/93/98/345369398.db2.gz WKNHBWBZMXSUHS-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN C1Cc2nc(CN3CCC3)sc2C1 306495748 345369449 /nfs/dbraw/zinc/36/94/49/345369449.db2.gz VYIVQQWHGRMZBO-UHFFFAOYSA-N 0 0 194.303 1.838 10 0 ADAERN CC1CN(C(=O)[C@H]2C[C@@H]2C(C)C)C1 306495708 345369478 /nfs/dbraw/zinc/36/94/78/345369478.db2.gz QRGWLFUKVJMOJZ-ZJUUUORDSA-N 0 0 181.279 1.757 10 0 ADAERN CNc1cnc(C2CC2)cn1 306495827 345369622 /nfs/dbraw/zinc/36/96/22/345369622.db2.gz CHCLQZBFBOEANY-UHFFFAOYSA-N 0 0 149.197 1.396 10 0 ADAERN CC[C@]1(C2CCC2)CNC(=O)CO1 306495793 345369652 /nfs/dbraw/zinc/36/96/52/345369652.db2.gz WKNHBWBZMXSUHS-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN CC1CN(C(=O)[C@@H]2C[C@H]2C(C)C)C1 306495707 345369689 /nfs/dbraw/zinc/36/96/89/345369689.db2.gz QRGWLFUKVJMOJZ-VHSXEESVSA-N 0 0 181.279 1.757 10 0 ADAERN Cc1ncn(Cc2ncc[nH]2)c1C 306495732 345369720 /nfs/dbraw/zinc/36/97/20/345369720.db2.gz VVLRSAZSOSSDSA-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN CC1CN(C(=O)[C@H]2C[C@H]2C(C)C)C1 306495706 345369916 /nfs/dbraw/zinc/36/99/16/345369916.db2.gz QRGWLFUKVJMOJZ-UWVGGRQHSA-N 0 0 181.279 1.757 10 0 ADAERN Cc1nnc(NCC(F)F)o1 306496413 345370097 /nfs/dbraw/zinc/37/00/97/345370097.db2.gz DMTURPPNNWILMX-UHFFFAOYSA-N 0 0 163.127 1.055 10 0 ADAERN CC(C)(F)C(=O)N1C[C@H]2CCC[C@H]21 306496281 345370113 /nfs/dbraw/zinc/37/01/13/345370113.db2.gz DHULOSLUTFELMG-HTQZYQBOSA-N 0 0 185.242 1.745 10 0 ADAERN Cc1cnc(N(C)C(C)C)nc1C 306496421 345370146 /nfs/dbraw/zinc/37/01/46/345370146.db2.gz DNCMINUMGZQDCF-UHFFFAOYSA-N 0 0 179.267 1.938 10 0 ADAERN CC(C)(F)C(=O)N1C[C@@H]2CCC[C@@H]21 306496287 345370165 /nfs/dbraw/zinc/37/01/65/345370165.db2.gz DHULOSLUTFELMG-YUMQZZPRSA-N 0 0 185.242 1.745 10 0 ADAERN CC(C)(F)C(=O)N1C[C@@H]2CCC[C@H]21 306496283 345370175 /nfs/dbraw/zinc/37/01/75/345370175.db2.gz DHULOSLUTFELMG-JGVFFNPUSA-N 0 0 185.242 1.745 10 0 ADAERN CC[C@@](O)(c1nccn1C)C1CCC1 306496404 345370185 /nfs/dbraw/zinc/37/01/85/345370185.db2.gz XPUMFZDDDNVGRE-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CC(C)(F)C(=O)N1C[C@H]2CCC[C@@H]21 306496285 345370209 /nfs/dbraw/zinc/37/02/09/345370209.db2.gz DHULOSLUTFELMG-SFYZADRCSA-N 0 0 185.242 1.745 10 0 ADAERN CC[C@@]1(C2CCC2)OC(=O)N=C1N 306496397 345370347 /nfs/dbraw/zinc/37/03/47/345370347.db2.gz XOXVBNOFJVVISK-VIFPVBQESA-N 0 0 182.223 1.443 10 0 ADAERN CC[C@](O)(c1nccn1C)C1CCC1 306496402 345370252 /nfs/dbraw/zinc/37/02/52/345370252.db2.gz XPUMFZDDDNVGRE-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@]1(C2CCC2)OC(=O)N=C1N 306496395 345370306 /nfs/dbraw/zinc/37/03/06/345370306.db2.gz XOXVBNOFJVVISK-SECBINFHSA-N 0 0 182.223 1.443 10 0 ADAERN CNC(=S)NC1CC(C(C)C)C1 306496229 345370330 /nfs/dbraw/zinc/37/03/30/345370330.db2.gz DEHWIVPPOPNFQR-UHFFFAOYSA-N 0 0 186.324 1.515 10 0 ADAERN C[C@H](CC(F)F)NC#N 306496251 345370334 /nfs/dbraw/zinc/37/03/34/345370334.db2.gz DGKXPEVDPUKEDN-SCSAIBSYSA-N 0 0 134.129 1.101 10 0 ADAERN c1ccc2c(c1)C[C@H]2NC1COC1 306496119 345370383 /nfs/dbraw/zinc/37/03/83/345370383.db2.gz XADRZMBWQDEEKT-LLVKDONJSA-N 0 0 175.231 1.272 10 0 ADAERN C[C@@H](CC(F)F)NC#N 306496250 345370398 /nfs/dbraw/zinc/37/03/98/345370398.db2.gz DGKXPEVDPUKEDN-BYPYZUCNSA-N 0 0 134.129 1.101 10 0 ADAERN c1cnc(NCc2cc[nH]c2)nc1 306496155 345370425 /nfs/dbraw/zinc/37/04/25/345370425.db2.gz XFUIJBZNZGWAHR-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN c1ccc2c(c1)C[C@@H]2NC1COC1 306496120 345370445 /nfs/dbraw/zinc/37/04/45/345370445.db2.gz XADRZMBWQDEEKT-NSHDSACASA-N 0 0 175.231 1.272 10 0 ADAERN Cc1noc(-c2cc[nH]c2)n1 306496162 345370451 /nfs/dbraw/zinc/37/04/51/345370451.db2.gz CTSFPSDYNNHGAN-UHFFFAOYSA-N 0 0 149.153 1.373 10 0 ADAERN Cc1nnc(CN2CCCCC2)s1 306496530 345370802 /nfs/dbraw/zinc/37/08/02/345370802.db2.gz DTHVICLDVNAARH-UHFFFAOYSA-N 0 0 197.307 1.832 10 0 ADAERN CCNc1nc(C)ncc1OC 306497171 345371043 /nfs/dbraw/zinc/37/10/43/345371043.db2.gz RIJKSNXCELYSCD-UHFFFAOYSA-N 0 0 167.212 1.225 10 0 ADAERN CC(C)=CC(=O)Nc1c[nH]nc1C 306497107 345371061 /nfs/dbraw/zinc/37/10/61/345371061.db2.gz ZORQKZBGYIRVHV-UHFFFAOYSA-N 0 0 179.223 1.623 10 0 ADAERN Cc1cc(=O)[nH]nc1C1CCC1 306497136 345371071 /nfs/dbraw/zinc/37/10/71/345371071.db2.gz ZUZRHMIKTXTZBP-UHFFFAOYSA-N 0 0 164.208 1.346 10 0 ADAERN CN1C(=O)[C@H]2CCCCN2C1(C)C 306497266 345371185 /nfs/dbraw/zinc/37/11/85/345371185.db2.gz ARLIUQDLFGATRN-MRVPVSSYSA-N 0 0 182.267 1.049 10 0 ADAERN Cn1nc(C(C)(C)C2CCC2)nc1N 306497035 345371327 /nfs/dbraw/zinc/37/13/27/345371327.db2.gz ZISACGQNLIPDNM-UHFFFAOYSA-N 0 0 194.282 1.475 10 0 ADAERN O=C(N[C@H]1[C@H]2CCC[C@H]21)C1CCC1 306497671 345371547 /nfs/dbraw/zinc/37/15/47/345371547.db2.gz SAEWSZLBJYYDPP-ILWJIGKKSA-N 0 0 179.263 1.701 10 0 ADAERN CC(C)(C)Nc1ncc(CO)cn1 306497786 345371563 /nfs/dbraw/zinc/37/15/63/345371563.db2.gz GTCWCLFVXHUKIJ-UHFFFAOYSA-N 0 0 181.239 1.179 10 0 ADAERN O[C@@H]1CCc2nc(Cl)ccc21 306497790 345371664 /nfs/dbraw/zinc/37/16/64/345371664.db2.gz SBTQAJRZUGSXAN-SSDOTTSWSA-N 0 0 169.611 1.715 10 0 ADAERN O[C@H]1CCc2nc(Cl)ccc21 306497791 345371667 /nfs/dbraw/zinc/37/16/67/345371667.db2.gz SBTQAJRZUGSXAN-ZETCQYMHSA-N 0 0 169.611 1.715 10 0 ADAERN CS/C=C/C(=O)Nc1n[nH]cc1C 306497440 345371682 /nfs/dbraw/zinc/37/16/82/345371682.db2.gz RSZMTERSOINXFS-ONEGZZNKSA-N 0 0 197.263 1.533 10 0 ADAERN CC(C)(NC1CSC1)C(F)F 306497725 345371696 /nfs/dbraw/zinc/37/16/96/345371696.db2.gz SAWFUIGCJWGAKM-UHFFFAOYSA-N 0 0 181.251 1.735 10 0 ADAERN CN1C(=O)[C@@H]2CCCCN2C1(C)C 306497271 345371722 /nfs/dbraw/zinc/37/17/22/345371722.db2.gz ARLIUQDLFGATRN-QMMMGPOBSA-N 0 0 182.267 1.049 10 0 ADAERN COc1cc(NC(C)=O)c(N)cc1C 306497859 345371757 /nfs/dbraw/zinc/37/17/57/345371757.db2.gz BZPHCYGORNSCRB-UHFFFAOYSA-N 0 0 194.234 1.544 10 0 ADAERN Cc1cc([C@@]2(O)CCOC2)cnc1C 306498133 345372135 /nfs/dbraw/zinc/37/21/35/345372135.db2.gz CUXFUCKSFGFALN-LLVKDONJSA-N 0 0 193.246 1.306 10 0 ADAERN CO[C@H](C)[C@H](C)Nc1cnccn1 306498393 345372137 /nfs/dbraw/zinc/37/21/37/345372137.db2.gz FHHWQTVIVMIUDV-JGVFFNPUSA-N 0 0 181.239 1.312 10 0 ADAERN CC(C)[C@H](C1CC1)n1cnc(N)n1 306498326 345372193 /nfs/dbraw/zinc/37/21/93/345372193.db2.gz DQTIIIHSLNTUIN-MRVPVSSYSA-N 0 0 180.255 1.467 10 0 ADAERN O=C(Nc1cnoc1)c1cncs1 306498300 345372206 /nfs/dbraw/zinc/37/22/06/345372206.db2.gz UAWVXDFKOKOQRV-UHFFFAOYSA-N 0 0 195.203 1.383 10 0 ADAERN Cc1cc([C@]2(O)CCOC2)cnc1C 306498134 345372240 /nfs/dbraw/zinc/37/22/40/345372240.db2.gz CUXFUCKSFGFALN-NSHDSACASA-N 0 0 193.246 1.306 10 0 ADAERN CC(C)[C@@H](C1CC1)n1cnc(N)n1 306498327 345372251 /nfs/dbraw/zinc/37/22/51/345372251.db2.gz DQTIIIHSLNTUIN-QMMMGPOBSA-N 0 0 180.255 1.467 10 0 ADAERN CCCNC(=O)[C@@H]1CCCO[C@@H]1C 306498121 345372286 /nfs/dbraw/zinc/37/22/86/345372286.db2.gz SXDSXAQKAIOVQY-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN CCc1nonc1NC(=O)C(C)C 306497907 345372293 /nfs/dbraw/zinc/37/22/93/345372293.db2.gz CJECUSQEWQRCGH-UHFFFAOYSA-N 0 0 183.211 1.227 10 0 ADAERN COc1ccc(F)c2c(N)nccc12 306498196 345372333 /nfs/dbraw/zinc/37/23/33/345372333.db2.gz DLWQDHFYQYRODL-UHFFFAOYSA-N 0 0 192.193 1.965 10 0 ADAERN Oc1cc(F)cc(-c2nc(O)c[nH]2)c1 306499012 345372581 /nfs/dbraw/zinc/37/25/81/345372581.db2.gz HFRVTBMNEPVISR-UHFFFAOYSA-N 0 0 194.165 1.627 10 0 ADAERN Cc1nccnc1N[C@@H]1CCC[C@@H]1O 306498741 345372607 /nfs/dbraw/zinc/37/26/07/345372607.db2.gz GODIXVQOWXVTLE-BDAKNGLRSA-N 0 0 193.250 1.110 10 0 ADAERN Cc1c(NCC2(F)CC2)cnn1C 306498850 345372647 /nfs/dbraw/zinc/37/26/47/345372647.db2.gz UUADPBQDCBXUGY-UHFFFAOYSA-N 0 0 183.230 1.643 10 0 ADAERN Cc1nccnc1N[C@H]1CCC[C@H]1O 306498742 345372675 /nfs/dbraw/zinc/37/26/75/345372675.db2.gz GODIXVQOWXVTLE-DTWKUNHWSA-N 0 0 193.250 1.110 10 0 ADAERN CO[C@@H](C)[C@H](C)Nc1cnccn1 306498394 345372683 /nfs/dbraw/zinc/37/26/83/345372683.db2.gz FHHWQTVIVMIUDV-YUMQZZPRSA-N 0 0 181.239 1.312 10 0 ADAERN Cc1nccnc1N[C@H]1CCC[C@@H]1O 306498743 345372702 /nfs/dbraw/zinc/37/27/02/345372702.db2.gz GODIXVQOWXVTLE-IUCAKERBSA-N 0 0 193.250 1.110 10 0 ADAERN CSc1ccncc1NC1COC1 306498851 345372706 /nfs/dbraw/zinc/37/27/06/345372706.db2.gz UUCGOIVLAQUQFB-UHFFFAOYSA-N 0 0 196.275 1.614 10 0 ADAERN CN(C)c1nc(=O)c2ccsc2[nH]1 306498643 345372735 /nfs/dbraw/zinc/37/27/35/345372735.db2.gz FYNQGKOOAOMQAU-UHFFFAOYSA-N 0 0 195.247 1.463 10 0 ADAERN Cc1nccnc1N[C@@H]1CCC[C@H]1O 306498744 345372752 /nfs/dbraw/zinc/37/27/52/345372752.db2.gz GODIXVQOWXVTLE-RKDXNWHRSA-N 0 0 193.250 1.110 10 0 ADAERN CCC(=O)O[C@H](C)C(F)F 306498610 345372768 /nfs/dbraw/zinc/37/27/68/345372768.db2.gz FTLLORPXUQFAHI-SCSAIBSYSA-N 0 0 152.140 1.593 10 0 ADAERN CC(=O)N(C)c1cccc(CO)c1 306498792 345372858 /nfs/dbraw/zinc/37/28/58/345372858.db2.gz HAFHPZAWGLORKL-UHFFFAOYSA-N 0 0 179.219 1.162 10 0 ADAERN CNC(=O)c1cn2cc(C)nc2s1 306499037 345372871 /nfs/dbraw/zinc/37/28/71/345372871.db2.gz HLIWPGSFBPEQQL-UHFFFAOYSA-N 0 0 195.247 1.064 10 0 ADAERN CCC(=O)O[C@@H](C)C(F)F 306498609 345372882 /nfs/dbraw/zinc/37/28/82/345372882.db2.gz FTLLORPXUQFAHI-BYPYZUCNSA-N 0 0 152.140 1.593 10 0 ADAERN CNC(=S)N[C@@H]1CC2CCC1CC2 306499081 345373089 /nfs/dbraw/zinc/37/30/89/345373089.db2.gz HWQOXLIORQINBL-AMDVSUOASA-N 0 0 198.335 1.659 10 0 ADAERN CC[C@H](Nc1cncc(N)n1)C1CC1 306499053 345373110 /nfs/dbraw/zinc/37/31/10/345373110.db2.gz HMTFIWIUCMWZFX-QMMMGPOBSA-N 0 0 192.266 1.659 10 0 ADAERN CNC(=S)N[C@H]1CC2CCC1CC2 306499082 345373116 /nfs/dbraw/zinc/37/31/16/345373116.db2.gz HWQOXLIORQINBL-HACHORDNSA-N 0 0 198.335 1.659 10 0 ADAERN CC[C@@H](Nc1cncc(N)n1)C1CC1 306499052 345373130 /nfs/dbraw/zinc/37/31/30/345373130.db2.gz HMTFIWIUCMWZFX-MRVPVSSYSA-N 0 0 192.266 1.659 10 0 ADAERN CC1(C)C[C@@H]1C(=O)NN1CCCC1 306499721 345373270 /nfs/dbraw/zinc/37/32/70/345373270.db2.gz WRIBPZLIMLFYAG-MRVPVSSYSA-N 0 0 182.267 1.160 10 0 ADAERN Cc1csc(N[C@H]2CCC[C@H]2O)n1 306499549 345373299 /nfs/dbraw/zinc/37/32/99/345373299.db2.gz JSAISIUEQXYUEF-JGVFFNPUSA-N 0 0 198.291 1.777 10 0 ADAERN CO[C@H](C)[C@H](C)N1CCC(F)(F)C1 306499523 345373316 /nfs/dbraw/zinc/37/33/16/345373316.db2.gz JOHSYTAUMJMETK-JGVFFNPUSA-N 0 0 193.237 1.751 10 0 ADAERN Cc1cccc(F)c1N[C@@H](C)CO 306499677 345373360 /nfs/dbraw/zinc/37/33/60/345373360.db2.gz WJDTVKJQMUWEAC-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1csc(N[C@@H]2CCC[C@@H]2O)n1 306499550 345373383 /nfs/dbraw/zinc/37/33/83/345373383.db2.gz JSAISIUEQXYUEF-SFYZADRCSA-N 0 0 198.291 1.777 10 0 ADAERN 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/nfs/dbraw/zinc/37/74/44/345377444.db2.gz WKSRECLWOCNWNA-UHFFFAOYSA-N 0 0 179.219 1.823 10 0 ADAERN CC(C)NC(=O)Nc1cocn1 306503351 345377447 /nfs/dbraw/zinc/37/74/47/345377447.db2.gz PMKRXWZBZGRZOS-UHFFFAOYSA-N 0 0 169.184 1.205 10 0 ADAERN CCc1noc([C@@H]2[C@@H]3CCO[C@@H]32)n1 306503337 345377497 /nfs/dbraw/zinc/37/74/97/345377497.db2.gz WALSKDNCTLFGSD-ARDNSNSESA-N 0 0 180.207 1.134 10 0 ADAERN CCc1noc([C@@H]2[C@H]3CCO[C@H]32)n1 306503339 345377574 /nfs/dbraw/zinc/37/75/74/345377574.db2.gz WALSKDNCTLFGSD-LPBLVHEISA-N 0 0 180.207 1.134 10 0 ADAERN CN(CC(C)(C)C)c1cccnn1 306503313 345377580 /nfs/dbraw/zinc/37/75/80/345377580.db2.gz PLORVWXFAUXXNN-UHFFFAOYSA-N 0 0 179.267 1.959 10 0 ADAERN CC1(C)SC[C@@H]1NC(=O)C1CC1 306503653 345377832 /nfs/dbraw/zinc/37/78/32/345377832.db2.gz PYBOYRVNRYCOGK-ZETCQYMHSA-N 0 0 185.292 1.407 10 0 ADAERN Cc1noc(-c2c(C)n[nH]c2C)n1 306504089 345377864 /nfs/dbraw/zinc/37/78/64/345377864.db2.gz QMSJGXWHTFBXKA-UHFFFAOYSA-N 0 0 178.195 1.385 10 0 ADAERN 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197.209 1.611 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccn(C)n1 306505661 345379136 /nfs/dbraw/zinc/37/91/36/345379136.db2.gz UDJNVXJBTLUXMC-YUMQZZPRSA-N 0 0 165.240 1.488 10 0 ADAERN CCSCCN1CC(F)C1 306505312 345379175 /nfs/dbraw/zinc/37/91/75/345379175.db2.gz FDDQTWBWKAKNMG-UHFFFAOYSA-N 0 0 163.261 1.393 10 0 ADAERN CC(=O)CSc1cccnn1 306505634 345379177 /nfs/dbraw/zinc/37/91/77/345379177.db2.gz FOJDRLGIZFRSEO-UHFFFAOYSA-N 0 0 168.221 1.158 10 0 ADAERN C[C@H](C(=O)[O-])[N@@H+]1CC2CCC1CC2 306505689 345379193 /nfs/dbraw/zinc/37/91/93/345379193.db2.gz UGIFREFKKXDAOS-AFPNSQJFSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1CC2CCC1CC2 306505690 345379218 /nfs/dbraw/zinc/37/92/18/345379218.db2.gz UGIFREFKKXDAOS-UEJVZZJDSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccn(C)n1 306505657 345379238 /nfs/dbraw/zinc/37/92/38/345379238.db2.gz UDJNVXJBTLUXMC-JGVFFNPUSA-N 0 0 165.240 1.488 10 0 ADAERN Cc1cncc(NC2CC2)n1 306505630 345379253 /nfs/dbraw/zinc/37/92/53/345379253.db2.gz 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306507225 345380100 /nfs/dbraw/zinc/38/01/00/345380100.db2.gz XFLLJGDPGZLPSU-SSDOTTSWSA-N 0 0 164.208 1.183 10 0 ADAERN C[C@H]1CCNC(=O)c2cccn21 306507226 345380111 /nfs/dbraw/zinc/38/01/11/345380111.db2.gz XFLLJGDPGZLPSU-ZETCQYMHSA-N 0 0 164.208 1.183 10 0 ADAERN C[C@H](C(N)=O)C1=CCCC1 306507230 345380123 /nfs/dbraw/zinc/38/01/23/345380123.db2.gz XGJXXCIAHJVCGW-LURJTMIESA-N 0 0 139.198 1.218 10 0 ADAERN Cc1cnoc1C(=O)NC1CCC1 306507243 345380205 /nfs/dbraw/zinc/38/02/05/345380205.db2.gz XJVYAFYWNGTPKY-UHFFFAOYSA-N 0 0 180.207 1.265 10 0 ADAERN Cc1nnc(NCC2(F)CC2)s1 306507291 345380221 /nfs/dbraw/zinc/38/02/21/345380221.db2.gz XOUUMTKLICNZJU-UHFFFAOYSA-N 0 0 187.243 1.761 10 0 ADAERN Cc1nc(Cl)ccc1C(=O)N1CC1 306506884 345380272 /nfs/dbraw/zinc/38/02/72/345380272.db2.gz WDXFWJURMKKZRJ-UHFFFAOYSA-N 0 0 196.637 1.499 10 0 ADAERN N[C@@H](c1ccsn1)C(F)F 306507387 345380291 /nfs/dbraw/zinc/38/02/91/345380291.db2.gz XXDHESUNCIDSHC-BYPYZUCNSA-N 0 0 164.180 1.408 10 0 ADAERN CSc1ncncc1Cl 306506898 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345394576 /nfs/dbraw/zinc/39/45/76/345394576.db2.gz GWWRZFHIZKMRLG-UHFFFAOYSA-N 0 0 160.176 1.578 10 0 ADAERN Cc1nc(CN2CC(F)C2)cs1 306522790 345394924 /nfs/dbraw/zinc/39/49/24/345394924.db2.gz MMUYMKQFPYWEHW-UHFFFAOYSA-N 0 0 186.255 1.605 10 0 ADAERN O=C(OC1CC1)[C@H]1CCCOCC1 306523114 345395034 /nfs/dbraw/zinc/39/50/34/345395034.db2.gz RPEQVQVPHCQGKR-QMMMGPOBSA-N 0 0 184.235 1.509 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1c1nccs1 306522722 345395063 /nfs/dbraw/zinc/39/50/63/345395063.db2.gz QHKQXCSKQLWFDI-NKWVEPMBSA-N 0 0 196.275 1.586 10 0 ADAERN Clc1cccnc1C1=NCCN1 306522991 345395106 /nfs/dbraw/zinc/39/51/06/345395106.db2.gz MTNCXOOMCYJCDX-UHFFFAOYSA-N 0 0 181.626 1.085 10 0 ADAERN Cc1ccc(CC(N)=O)c(Cl)n1 306522761 345395160 /nfs/dbraw/zinc/39/51/60/345395160.db2.gz MIVIYYNQGUVKGB-UHFFFAOYSA-N 0 0 184.626 1.071 10 0 ADAERN Cc1c[nH]c(N2CCCSCC2)n1 306522689 345395161 /nfs/dbraw/zinc/39/51/61/345395161.db2.gz QFLOPRXMCOKJKM-UHFFFAOYSA-N 0 0 197.307 1.661 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1c1nccs1 306522719 345395170 /nfs/dbraw/zinc/39/51/70/345395170.db2.gz QHKQXCSKQLWFDI-BQBZGAKWSA-N 0 0 196.275 1.586 10 0 ADAERN Cc1cccnc1NC1CSC1 306522516 345395171 /nfs/dbraw/zinc/39/51/71/345395171.db2.gz LYNGHXDVZGWIRW-UHFFFAOYSA-N 0 0 180.276 1.917 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1c1nccs1 306522726 345395177 /nfs/dbraw/zinc/39/51/77/345395177.db2.gz QHKQXCSKQLWFDI-RQJHMYQMSA-N 0 0 196.275 1.586 10 0 ADAERN O=C(OC1CC1)[C@@H]1CCCOCC1 306523113 345395181 /nfs/dbraw/zinc/39/51/81/345395181.db2.gz RPEQVQVPHCQGKR-MRVPVSSYSA-N 0 0 184.235 1.509 10 0 ADAERN NN1CC[C@H](OCc2ccccc2)C1 306523343 345395418 /nfs/dbraw/zinc/39/54/18/345395418.db2.gz SKILPCLLGYWSFY-NSHDSACASA-N 0 0 192.262 1.151 10 0 ADAERN O=C([C@H]1CC=CCC1)N1CCSC1 306523315 345395426 /nfs/dbraw/zinc/39/54/26/345395426.db2.gz SECQLTVPYSEKQP-VIFPVBQESA-N 0 0 197.303 1.876 10 0 ADAERN C[C@@H]1COc2ccc(C(N)=O)cc21 306523219 345395446 /nfs/dbraw/zinc/39/54/46/345395446.db2.gz NGDCGZCXKMPMJL-ZCFIWIBFSA-N 0 0 177.203 1.281 10 0 ADAERN Cc1coc(N2CC[C@@](C)(F)C2)n1 306523200 345395508 /nfs/dbraw/zinc/39/55/08/345395508.db2.gz NDJJCAIXQWRUCC-SECBINFHSA-N 0 0 184.214 1.921 10 0 ADAERN CC[C@H](C)NC(=O)N[C@@H]1C[C@H]1C 306523228 345395588 /nfs/dbraw/zinc/39/55/88/345395588.db2.gz NHVAFWDXYPLCOZ-GJMOJQLCSA-N 0 0 170.256 1.493 10 0 ADAERN Cc1coc(N2CC[C@](C)(F)C2)n1 306523201 345395599 /nfs/dbraw/zinc/39/55/99/345395599.db2.gz NDJJCAIXQWRUCC-VIFPVBQESA-N 0 0 184.214 1.921 10 0 ADAERN C[C@H]1COc2ccc(C(N)=O)cc21 306523218 345395616 /nfs/dbraw/zinc/39/56/16/345395616.db2.gz NGDCGZCXKMPMJL-LURJTMIESA-N 0 0 177.203 1.281 10 0 ADAERN C[C@H](CO)Nc1ccsc1 306523276 345395679 /nfs/dbraw/zinc/39/56/79/345395679.db2.gz RWMNDUCANDQXKJ-ZCFIWIBFSA-N 0 0 157.238 1.541 10 0 ADAERN Cc1n[nH]cc1-c1cscn1 306523372 345395684 /nfs/dbraw/zinc/39/56/84/345395684.db2.gz NMTBZSKONDGWFG-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN O=C([C@@H]1CC=CCC1)N1CCSC1 306523314 345395700 /nfs/dbraw/zinc/39/57/00/345395700.db2.gz SECQLTVPYSEKQP-SECBINFHSA-N 0 0 197.303 1.876 10 0 ADAERN C[C@@H](CO)Nc1ccsc1 306523275 345395746 /nfs/dbraw/zinc/39/57/46/345395746.db2.gz RWMNDUCANDQXKJ-LURJTMIESA-N 0 0 157.238 1.541 10 0 ADAERN CCCc1sc(=NN)[nH]c1C 306523955 345395872 /nfs/dbraw/zinc/39/58/72/345395872.db2.gz WHKPWSGVROCTNG-UHFFFAOYSA-N 0 0 171.269 1.690 10 0 ADAERN CCCC[C@@]1(C)C(N)=NC(=O)N1C 306523629 345395969 /nfs/dbraw/zinc/39/59/69/345395969.db2.gz UGTXFZGYSZBBPR-VIFPVBQESA-N 0 0 183.255 1.358 10 0 ADAERN CCCC[C@]1(C)C(N)=NC(=O)N1C 306523627 345395974 /nfs/dbraw/zinc/39/59/74/345395974.db2.gz UGTXFZGYSZBBPR-SECBINFHSA-N 0 0 183.255 1.358 10 0 ADAERN COc1c(F)cc(F)c(N)c1F 306523589 345396007 /nfs/dbraw/zinc/39/60/07/345396007.db2.gz TYNNQYOJNDIOJC-UHFFFAOYSA-N 0 0 177.125 1.695 10 0 ADAERN Cc1nc(CNc2nocc2C)c[nH]1 306523907 345396036 /nfs/dbraw/zinc/39/60/36/345396036.db2.gz VWIOZJUHVWJQNR-UHFFFAOYSA-N 0 0 192.222 1.627 10 0 ADAERN CCCc1c(C)nc2ncccn12 306523664 345396054 /nfs/dbraw/zinc/39/60/54/345396054.db2.gz 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306524563 345397071 /nfs/dbraw/zinc/39/70/71/345397071.db2.gz YUUIKDQDNWRTTD-UHFFFAOYSA-N 0 0 197.307 1.267 10 0 ADAERN CC1=CCN(c2ncc(N)cn2)CC1 306524755 345397118 /nfs/dbraw/zinc/39/71/18/345397118.db2.gz ZYLCLLMCNXKUFA-UHFFFAOYSA-N 0 0 190.250 1.215 10 0 ADAERN Cc1cnn([C@@H]2C[C@H](C)[C@@H]2C)c1N 306525084 345397131 /nfs/dbraw/zinc/39/71/31/345397131.db2.gz ABDHTEZYCQXLOP-CNUIFLNQSA-N 0 0 179.267 1.991 10 0 ADAERN Cc1cnn([C@@H]2C[C@@H](C)[C@@H]2C)c1N 306525083 345397159 /nfs/dbraw/zinc/39/71/59/345397159.db2.gz ABDHTEZYCQXLOP-BWVDBABLSA-N 0 0 179.267 1.991 10 0 ADAERN Cc1oncc1NCc1c[nH]cn1 306525067 345397270 /nfs/dbraw/zinc/39/72/70/345397270.db2.gz PGPSAGKBVYEGNQ-UHFFFAOYSA-N 0 0 178.195 1.318 10 0 ADAERN OCNc1nc2cc(Cl)ccc2o1 306524656 345397352 /nfs/dbraw/zinc/39/73/52/345397352.db2.gz ZMAMWUWEBQHZEV-UHFFFAOYSA-N 0 0 198.609 1.843 10 0 ADAERN Cc1ccncc1C(=O)OC1CC1 306524556 345397360 /nfs/dbraw/zinc/39/73/60/345397360.db2.gz YTTSZVRESOBOES-UHFFFAOYSA-N 0 0 177.203 1.709 10 0 ADAERN 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/nfs/dbraw/zinc/40/93/86/345409386.db2.gz QQHROBDOLGFWIJ-PSASIEDQSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@@H]1CC[C@]1(O)Cc1cnn(C)c1 306536649 345409421 /nfs/dbraw/zinc/40/94/21/345409421.db2.gz QQHROBDOLGFWIJ-SCZZXKLOSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@H]1CC[C@@]1(O)Cc1cnn(C)c1 306536656 345409450 /nfs/dbraw/zinc/40/94/50/345409450.db2.gz QQHROBDOLGFWIJ-WCBMZHEXSA-N 0 0 180.251 1.124 10 0 ADAERN CC/C=C/C(=O)N[C@@H]1CC[C@@H]1C 306536621 345409507 /nfs/dbraw/zinc/40/95/07/345409507.db2.gz QONUYKRAEOANIB-HYNBTVFTSA-N 0 0 167.252 1.867 10 0 ADAERN CCc1ncc(OC)c(NC)n1 306536770 345409567 /nfs/dbraw/zinc/40/95/67/345409567.db2.gz QTYJBVFJHUPZKP-UHFFFAOYSA-N 0 0 167.212 1.089 10 0 ADAERN C[C@H]1CC[C@]1(O)Cc1cnn(C)c1 306536662 345409593 /nfs/dbraw/zinc/40/95/93/345409593.db2.gz QQHROBDOLGFWIJ-WPRPVWTQSA-N 0 0 180.251 1.124 10 0 ADAERN CCc1c(NC)ncnc1NCCF 306536461 345409674 /nfs/dbraw/zinc/40/96/74/345409674.db2.gz KUJQIYKIHBECLU-UHFFFAOYSA-N 0 0 198.245 1.462 10 0 ADAERN CC(C)(C)CNc1csnn1 306537171 345409814 /nfs/dbraw/zinc/40/98/14/345409814.db2.gz NSQLKGKQCFJJFS-UHFFFAOYSA-N 0 0 171.269 1.996 10 0 ADAERN C[C@H]1CC[C@@]1(O)c1cn(C)cn1 306537275 345409827 /nfs/dbraw/zinc/40/98/27/345409827.db2.gz RFUOLOVYDUSYND-CBAPKCEASA-N 0 0 166.224 1.038 10 0 ADAERN Cc1coc(NCc2ccnn2C)n1 306536938 345409830 /nfs/dbraw/zinc/40/98/30/345409830.db2.gz IETDQSDNWOQVLJ-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN Nc1ccc(Cl)nc1N1CCC1 306537317 345409900 /nfs/dbraw/zinc/40/99/00/345409900.db2.gz RJLKJJASIHWYKE-UHFFFAOYSA-N 0 0 183.642 1.527 10 0 ADAERN C[C@@H]1CC[C@@]1(O)c1cn(C)cn1 306537274 345410005 /nfs/dbraw/zinc/41/00/05/345410005.db2.gz RFUOLOVYDUSYND-APPZFPTMSA-N 0 0 166.224 1.038 10 0 ADAERN CC(=O)CCc1csnn1 306537336 345410085 /nfs/dbraw/zinc/41/00/85/345410085.db2.gz IGNMBWAURFGERB-UHFFFAOYSA-N 0 0 156.210 1.060 10 0 ADAERN C[C@H]1CC[C@]1(O)c1cn(C)cn1 306537276 345410170 /nfs/dbraw/zinc/41/01/70/345410170.db2.gz RFUOLOVYDUSYND-IONNQARKSA-N 0 0 166.224 1.038 10 0 ADAERN C[C@@H]1CC[C@]1(O)c1cn(C)cn1 306537277 345410228 /nfs/dbraw/zinc/41/02/28/345410228.db2.gz RFUOLOVYDUSYND-VXNVDRBHSA-N 0 0 166.224 1.038 10 0 ADAERN Cc1nc(NC(=O)C(C)C)oc1C 306536952 345410250 /nfs/dbraw/zinc/41/02/50/345410250.db2.gz KWULAYHAZHQNAJ-UHFFFAOYSA-N 0 0 182.223 1.886 10 0 ADAERN CO[C@H](C(C)C)C1N=NC(=N)C[C@H]1C 306537368 345410354 /nfs/dbraw/zinc/41/03/54/345410354.db2.gz IKCVGYNYMJRXRY-GMSGAONNSA-N 0 0 197.282 1.410 10 0 ADAERN Cc1coc(NC[C@@]2(C)CCOC2)n1 306537544 345410357 /nfs/dbraw/zinc/41/03/57/345410357.db2.gz LLFDMAKGSQFUKV-SNVBAGLBSA-N 0 0 196.250 1.822 10 0 ADAERN CC(C)[C@@H](C)N1CCCC(=O)C1 306537471 345410397 /nfs/dbraw/zinc/41/03/97/345410397.db2.gz LITOORIXXVUIDN-SECBINFHSA-N 0 0 169.268 1.696 10 0 ADAERN Cc1coc(NC[C@@](C)(O)C2CC2)n1 306537594 345410428 /nfs/dbraw/zinc/41/04/28/345410428.db2.gz LNZWLVDJGLONHH-SNVBAGLBSA-N 0 0 196.250 1.556 10 0 ADAERN CO[C@H](C(C)C)C1N=NC(=N)C[C@@H]1C 306537369 345410445 /nfs/dbraw/zinc/41/04/45/345410445.db2.gz IKCVGYNYMJRXRY-OIBJUYFYSA-N 0 0 197.282 1.410 10 0 ADAERN COc1cc([C@@]2(O)CC[C@@H]2C)sn1 306537467 345410449 /nfs/dbraw/zinc/41/04/49/345410449.db2.gz LINKGRRSOSYTBJ-IMTBSYHQSA-N 0 0 199.275 1.769 10 0 ADAERN Cc1coc(NC[C@]2(C)CCOC2)n1 306537542 345410510 /nfs/dbraw/zinc/41/05/10/345410510.db2.gz LLFDMAKGSQFUKV-JTQLQIEISA-N 0 0 196.250 1.822 10 0 ADAERN COc1cc([C@@]2(O)CC[C@H]2C)sn1 306537466 345410532 /nfs/dbraw/zinc/41/05/32/345410532.db2.gz LINKGRRSOSYTBJ-HZGVNTEJSA-N 0 0 199.275 1.769 10 0 ADAERN [O-]c1cc(Cl)ccc1C1=[NH+]CCN1 306537578 345410548 /nfs/dbraw/zinc/41/05/48/345410548.db2.gz OCLOXMDGXJONNM-UHFFFAOYSA-N 0 0 196.637 1.395 10 0 ADAERN COC(C)(C)[C@H]1CC(=O)NC1(C)C 306537532 345410569 /nfs/dbraw/zinc/41/05/69/345410569.db2.gz LKSWDTRAXFKXSY-ZETCQYMHSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1csc(Cl)c1C(N)=O 306537518 345410626 /nfs/dbraw/zinc/41/06/26/345410626.db2.gz LKAFVQWCYMJHMD-UHFFFAOYSA-N 0 0 175.640 1.809 10 0 ADAERN COc1cc([C@]2(O)CC[C@@H]2C)sn1 306537470 345410674 /nfs/dbraw/zinc/41/06/74/345410674.db2.gz LINKGRRSOSYTBJ-RCOVLWMOSA-N 0 0 199.275 1.769 10 0 ADAERN CO[C@@H](C(C)C)C1N=NC(=N)C[C@@H]1C 306537371 345410687 /nfs/dbraw/zinc/41/06/87/345410687.db2.gz IKCVGYNYMJRXRY-XVKPBYJWSA-N 0 0 197.282 1.410 10 0 ADAERN FCCNc1ncnc2c1CCCC2 306537521 345410691 /nfs/dbraw/zinc/41/06/91/345410691.db2.gz LKGWKJOYXTXJPH-UHFFFAOYSA-N 0 0 195.241 1.737 10 0 ADAERN COc1cc([C@]2(O)CC[C@H]2C)sn1 306537469 345410716 /nfs/dbraw/zinc/41/07/16/345410716.db2.gz LINKGRRSOSYTBJ-MUWHJKNJSA-N 0 0 199.275 1.769 10 0 ADAERN CC(C)[C@H](C)N1CCCC(=O)C1 306537472 345410721 /nfs/dbraw/zinc/41/07/21/345410721.db2.gz LITOORIXXVUIDN-VIFPVBQESA-N 0 0 169.268 1.696 10 0 ADAERN CO[C@@H](C(C)C)C1N=NC(=N)C[C@H]1C 306537370 345410735 /nfs/dbraw/zinc/41/07/35/345410735.db2.gz IKCVGYNYMJRXRY-XCBNKYQSSA-N 0 0 197.282 1.410 10 0 ADAERN Cc1coc(NC[C@](C)(O)C2CC2)n1 306537592 345410739 /nfs/dbraw/zinc/41/07/39/345410739.db2.gz LNZWLVDJGLONHH-JTQLQIEISA-N 0 0 196.250 1.556 10 0 ADAERN CCCn1nccc1[Si](C)(C)C 306537769 345410843 /nfs/dbraw/zinc/41/08/43/345410843.db2.gz RYEHRSLEGFISHA-UHFFFAOYSA-N 0 0 182.343 1.838 10 0 ADAERN CC(C)NC(=O)C1=CCCSC1 306537744 345410846 /nfs/dbraw/zinc/41/08/46/345410846.db2.gz RVTMMTSXOULZCW-UHFFFAOYSA-N 0 0 185.292 1.574 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ncc(F)c(N)n1 306537645 345410871 /nfs/dbraw/zinc/41/08/71/345410871.db2.gz IYCNSBLMWZJQMW-PHDIDXHHSA-N 0 0 196.229 1.266 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ncc(F)c(N)n1 306537642 345410887 /nfs/dbraw/zinc/41/08/87/345410887.db2.gz IYCNSBLMWZJQMW-NTSWFWBYSA-N 0 0 196.229 1.266 10 0 ADAERN CC(=O)OC1C[C@H](C)O[C@@H](C)C1 306537738 345410902 /nfs/dbraw/zinc/41/09/02/345410902.db2.gz RUYUAQCEHIHFBG-BQBZGAKWSA-N 0 0 172.224 1.506 10 0 ADAERN C/C=C/CNc1ncncc1N 306537665 345411048 /nfs/dbraw/zinc/41/10/48/345411048.db2.gz IZIKDDSZUGJHIU-NSCUHMNNSA-N 0 0 164.212 1.047 10 0 ADAERN CC[S@](=O)Nc1cccc(O)c1 306537856 345410997 /nfs/dbraw/zinc/41/09/97/345410997.db2.gz JCJCSDXLUMFIGV-LBPRGKRZSA-N 0 0 185.248 1.488 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncc(F)c(N)n1 306537647 345411012 /nfs/dbraw/zinc/41/10/12/345411012.db2.gz IYCNSBLMWZJQMW-RITPCOANSA-N 0 0 196.229 1.266 10 0 ADAERN Cc1coc(NCc2nnc(C)[nH]2)n1 306537871 345411107 /nfs/dbraw/zinc/41/11/07/345411107.db2.gz JDWLNGHTVLFXHR-UHFFFAOYSA-N 0 0 193.210 1.022 10 0 ADAERN C[C@H]1CCCN1C1=NC(=O)CS1 306537654 345411112 /nfs/dbraw/zinc/41/11/12/345411112.db2.gz IYKSXAJTSRJXRA-LURJTMIESA-N 0 0 184.264 1.837 10 0 ADAERN C[C@H]1C[C@H]1CNc1ncc(F)c(N)n1 306537649 345411125 /nfs/dbraw/zinc/41/11/25/345411125.db2.gz IYCNSBLMWZJQMW-WDSKDSINSA-N 0 0 196.229 1.266 10 0 ADAERN CC(=O)O[C@H]1C[C@H](C)O[C@H](C)C1 306537741 345411136 /nfs/dbraw/zinc/41/11/36/345411136.db2.gz RUYUAQCEHIHFBG-SRSLHRDFSA-N 0 0 172.224 1.506 10 0 ADAERN CC(=O)OC1C[C@@H](C)O[C@H](C)C1 306537740 345411163 /nfs/dbraw/zinc/41/11/63/345411163.db2.gz RUYUAQCEHIHFBG-RNFRBKRXSA-N 0 0 172.224 1.506 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@@H](C)CCO1 306537729 345411170 /nfs/dbraw/zinc/41/11/70/345411170.db2.gz OFNUYAYSQKGKES-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@H]1CN(C(=O)C2CCC2)CCS1 306537946 345411451 /nfs/dbraw/zinc/41/14/51/345411451.db2.gz LSHPPVRYBAXGBR-QMMMGPOBSA-N 0 0 199.319 1.750 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]2C)C1 306537960 345411455 /nfs/dbraw/zinc/41/14/55/345411455.db2.gz LUHLKRUUMAFXPQ-DOLQZWNJSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]([NH2+][C@@H]1C[C@H]2CC=C[C@H]21)C(=O)[O-] 306538129 345411512 /nfs/dbraw/zinc/41/15/12/345411512.db2.gz SMBJMFPENLOEPI-FNCVBFRFSA-N 0 0 181.235 1.014 10 0 ADAERN CC(C)(C)NC(=O)c1c[nH]c(=S)[nH]1 306537970 345411550 /nfs/dbraw/zinc/41/15/50/345411550.db2.gz LUYOHTHDINKXDE-UHFFFAOYSA-N 0 0 199.279 1.227 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]2C)C1 306537961 345411554 /nfs/dbraw/zinc/41/15/54/345411554.db2.gz LUHLKRUUMAFXPQ-IMSYWVGJSA-N 0 0 181.279 1.947 10 0 ADAERN CNC(=O)Nc1ccc(C)s1 306538195 345411600 /nfs/dbraw/zinc/41/16/00/345411600.db2.gz OXICVDOWSQCNAM-UHFFFAOYSA-N 0 0 170.237 1.808 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)[C@H]1CC[C@@H](C)C1 306537962 345411608 /nfs/dbraw/zinc/41/16/08/345411608.db2.gz LUHLKRUUMAFXPQ-KATARQTJSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)C(=O)N(C)c1nncs1 306538109 345411617 /nfs/dbraw/zinc/41/16/17/345411617.db2.gz SIWCVBMWSOPCTD-UHFFFAOYSA-N 0 0 185.252 1.157 10 0 ADAERN Cc1nc(NC(=O)CC(C)C)no1 306537941 345411627 /nfs/dbraw/zinc/41/16/27/345411627.db2.gz LREUWDSANVFEHL-UHFFFAOYSA-N 0 0 183.211 1.363 10 0 ADAERN CC(C)C[C@]1(C)N(C)CC(=O)N1C 306537965 345411652 /nfs/dbraw/zinc/41/16/52/345411652.db2.gz LUHWXWAMHWLUEU-SNVBAGLBSA-N 0 0 184.283 1.153 10 0 ADAERN COC(=O)Nc1c(C)ccnc1C 306538100 345411709 /nfs/dbraw/zinc/41/17/09/345411709.db2.gz SIFXOFFVFHRBFJ-UHFFFAOYSA-N 0 0 180.207 1.877 10 0 ADAERN CC(C)C[C@@]1(C)N(C)CC(=O)N1C 306537964 345411714 /nfs/dbraw/zinc/41/17/14/345411714.db2.gz LUHWXWAMHWLUEU-JTQLQIEISA-N 0 0 184.283 1.153 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)C1CC=CC1 306538726 345412026 /nfs/dbraw/zinc/41/20/26/345412026.db2.gz PJQWYPXSEJLOSJ-WPRPVWTQSA-N 0 0 179.263 1.725 10 0 ADAERN CC(C)(F)C(=O)Cn1ccnc1 306538523 345412381 /nfs/dbraw/zinc/41/23/81/345412381.db2.gz SVUQACODPUYQPW-UHFFFAOYSA-N 0 0 170.187 1.200 10 0 ADAERN CC[C@H]1CCC[N@@H+](C2COC2)C1 306539133 345412567 /nfs/dbraw/zinc/41/25/67/345412567.db2.gz ULXGABFTGFYZMO-VIFPVBQESA-N 0 0 169.268 1.507 10 0 ADAERN CC(C)NC(=S)N[C@@H]1CC[C@H]1C 306538817 345412631 /nfs/dbraw/zinc/41/26/31/345412631.db2.gz TZHHOOGPZAGXSZ-HTQZYQBOSA-N 0 0 186.324 1.657 10 0 ADAERN CC(C)NC(=S)N[C@H]1CC[C@@H]1C 306538823 345412634 /nfs/dbraw/zinc/41/26/34/345412634.db2.gz TZHHOOGPZAGXSZ-YUMQZZPRSA-N 0 0 186.324 1.657 10 0 ADAERN Cc1ncc(NC(=O)NC(C)C)s1 306538943 345412678 /nfs/dbraw/zinc/41/26/78/345412678.db2.gz MRIFUPDOZYRIIO-UHFFFAOYSA-N 0 0 199.279 1.981 10 0 ADAERN CC(C)NC(=S)N[C@@H]1CC[C@@H]1C 306538819 345412696 /nfs/dbraw/zinc/41/26/96/345412696.db2.gz TZHHOOGPZAGXSZ-JGVFFNPUSA-N 0 0 186.324 1.657 10 0 ADAERN CC[C@@H]1CCC[N@@H+](C2COC2)C1 306539132 345412757 /nfs/dbraw/zinc/41/27/57/345412757.db2.gz ULXGABFTGFYZMO-SECBINFHSA-N 0 0 169.268 1.507 10 0 ADAERN CC(C)NC(=S)N[C@H]1CC[C@H]1C 306538821 345412852 /nfs/dbraw/zinc/41/28/52/345412852.db2.gz TZHHOOGPZAGXSZ-SFYZADRCSA-N 0 0 186.324 1.657 10 0 ADAERN CCSc1ccc(C(N)=O)c(N)c1 306538825 345412922 /nfs/dbraw/zinc/41/29/22/345412922.db2.gz TZQNSJFERCUBMB-UHFFFAOYSA-N 0 0 196.275 1.480 10 0 ADAERN CC(C)C(=O)O[C@@]1(C)CCOC1 306539160 345413135 /nfs/dbraw/zinc/41/31/35/345413135.db2.gz UPZJUIMQUWFKFZ-VIFPVBQESA-N 0 0 172.224 1.365 10 0 ADAERN CC(C)C[N@@H+]1CCO[C@@H](C(F)F)C1 306539352 345413196 /nfs/dbraw/zinc/41/31/96/345413196.db2.gz NBOBMGNXUICTSM-MRVPVSSYSA-N 0 0 193.237 1.608 10 0 ADAERN CC1(C)CC[C@H]1[NH+]1CC(C(=O)[O-])C1 306539256 345413257 /nfs/dbraw/zinc/41/32/57/345413257.db2.gz UUKZTYKXSCYEOM-MRVPVSSYSA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)C(=O)O[C@]1(C)CCOC1 306539159 345413277 /nfs/dbraw/zinc/41/32/77/345413277.db2.gz UPZJUIMQUWFKFZ-SECBINFHSA-N 0 0 172.224 1.365 10 0 ADAERN CC1(C)CC[C@@H]1[NH+]1CC(C(=O)[O-])C1 306539263 345413328 /nfs/dbraw/zinc/41/33/28/345413328.db2.gz UUKZTYKXSCYEOM-QMMMGPOBSA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)C[N@@H+]1CCO[C@H](C(F)F)C1 306539353 345413332 /nfs/dbraw/zinc/41/33/32/345413332.db2.gz NBOBMGNXUICTSM-QMMMGPOBSA-N 0 0 193.237 1.608 10 0 ADAERN Cc1nnc(N[C@@H]2CC[C@@H]2C)o1 306539164 345413443 /nfs/dbraw/zinc/41/34/43/345413443.db2.gz UQYQGSTZMVTDLX-CAHLUQPWSA-N 0 0 167.212 1.588 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1cncs1 306539331 345413454 /nfs/dbraw/zinc/41/34/54/345413454.db2.gz QKRIOHSPSSHLIF-NTSWFWBYSA-N 0 0 182.248 1.281 10 0 ADAERN CCC(C)(C)CNc1cn(C)nn1 306539862 345413647 /nfs/dbraw/zinc/41/36/47/345413647.db2.gz OCUYXVLDHKYBHR-UHFFFAOYSA-N 0 0 182.271 1.663 10 0 ADAERN Cc1cc(N2CCC2)ccc1CO 306539597 345413657 /nfs/dbraw/zinc/41/36/57/345413657.db2.gz VGAXKUOZDKFPJO-UHFFFAOYSA-N 0 0 177.247 1.697 10 0 ADAERN Cc1cccc(N[C@H]2CCNC2=O)c1 306539566 345413675 /nfs/dbraw/zinc/41/36/75/345413675.db2.gz NJLDOPNCDBUCFK-JTQLQIEISA-N 0 0 190.246 1.295 10 0 ADAERN C[C@H]1OCC/C1=C\C(=O)NC1CC1 306539715 345413869 /nfs/dbraw/zinc/41/38/69/345413869.db2.gz NSUGFGNKNQJWCF-UQBZRGDZSA-N 0 0 181.235 1.000 10 0 ADAERN Cc1cnn(C)c1C(=O)C(C)(C)C 306539612 345413890 /nfs/dbraw/zinc/41/38/90/345413890.db2.gz VGJGBCGSOMBDCA-UHFFFAOYSA-N 0 0 180.251 1.957 10 0 ADAERN Cc1cccc(N[C@@H]2CCNC2=O)c1 306539568 345413917 /nfs/dbraw/zinc/41/39/17/345413917.db2.gz NJLDOPNCDBUCFK-SNVBAGLBSA-N 0 0 190.246 1.295 10 0 ADAERN CCC(=O)Nc1n[nH]cc1SC 306539796 345413922 /nfs/dbraw/zinc/41/39/22/345413922.db2.gz QYEODIQGEHXVSF-UHFFFAOYSA-N 0 0 185.252 1.480 10 0 ADAERN Cc1cc(-c2cnc(F)nc2)ccn1 306539712 345413923 /nfs/dbraw/zinc/41/39/23/345413923.db2.gz NRPUHRJNYPTYSR-UHFFFAOYSA-N 0 0 189.193 1.986 10 0 ADAERN CCC1(c2nn(C)c(=S)[nH]2)CC1 306539603 345413938 /nfs/dbraw/zinc/41/39/38/345413938.db2.gz VGDUYXKNLIFTSC-UHFFFAOYSA-N 0 0 183.280 1.545 10 0 ADAERN C[C@@H]1OCC/C1=C\C(=O)NC1CC1 306539714 345413951 /nfs/dbraw/zinc/41/39/51/345413951.db2.gz NSUGFGNKNQJWCF-DGUDBNDOSA-N 0 0 181.235 1.000 10 0 ADAERN Cc1n[nH]cc1NC(=O)C(C)C 306539772 345413955 /nfs/dbraw/zinc/41/39/55/345413955.db2.gz QUSNAQWFTQGWHI-UHFFFAOYSA-N 0 0 167.212 1.313 10 0 ADAERN c1cc(CNc2c[nH]cn2)c[nH]1 306540115 345414116 /nfs/dbraw/zinc/41/41/16/345414116.db2.gz VWMRTCMRAHJDKC-UHFFFAOYSA-N 0 0 162.196 1.350 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CC[C@H]1C 306540061 345414132 /nfs/dbraw/zinc/41/41/32/345414132.db2.gz RCYJGVNTSYIGDN-HTQZYQBOSA-N 0 0 170.256 1.493 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCC1(C)C 306540048 345414138 /nfs/dbraw/zinc/41/41/38/345414138.db2.gz VSKIANPPXDFTGY-SECBINFHSA-N 0 0 171.240 1.239 10 0 ADAERN Cc1ccc(N[C@@H]2CCC[C@H]2O)nc1 306540311 345414160 /nfs/dbraw/zinc/41/41/60/345414160.db2.gz OTIHGNIRJZSPEK-NXEZZACHSA-N 0 0 192.262 1.715 10 0 ADAERN Cc1nn(C)cc1N[C@H]1CC[C@@H]1C 306540396 345414166 /nfs/dbraw/zinc/41/41/66/345414166.db2.gz WDYBPDFMLJTJTI-CBAPKCEASA-N 0 0 179.267 1.939 10 0 ADAERN Cc1ccc(N[C@H]2CCC[C@H]2O)nc1 306540313 345414179 /nfs/dbraw/zinc/41/41/79/345414179.db2.gz OTIHGNIRJZSPEK-VHSXEESVSA-N 0 0 192.262 1.715 10 0 ADAERN COc1cc(C2=C[C@@H](O)CC2)sn1 306540232 345414218 /nfs/dbraw/zinc/41/42/18/345414218.db2.gz OLXZWJPLSHIWAG-ZETCQYMHSA-N 0 0 197.259 1.690 10 0 ADAERN CC[C@@H](C)C(=O)Nc1c[nH]nc1C 306539902 345414249 /nfs/dbraw/zinc/41/42/49/345414249.db2.gz OIMBSQIOYHBQDM-ZCFIWIBFSA-N 0 0 181.239 1.703 10 0 ADAERN CC(C)NC(=O)N[C@H]1CC[C@H]1C 306540065 345414294 /nfs/dbraw/zinc/41/42/94/345414294.db2.gz RCYJGVNTSYIGDN-SFYZADRCSA-N 0 0 170.256 1.493 10 0 ADAERN Cc1cncc(NCc2cn[nH]c2)c1 306540262 345414346 /nfs/dbraw/zinc/41/43/46/345414346.db2.gz OPCHBVLMPUQSAI-UHFFFAOYSA-N 0 0 188.234 1.725 10 0 ADAERN CC(C)NC(=O)N[C@@H]1CC[C@@H]1C 306540063 345414366 /nfs/dbraw/zinc/41/43/66/345414366.db2.gz RCYJGVNTSYIGDN-JGVFFNPUSA-N 0 0 170.256 1.493 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC1(C)C 306540050 345414383 /nfs/dbraw/zinc/41/43/83/345414383.db2.gz VSKIANPPXDFTGY-VIFPVBQESA-N 0 0 171.240 1.239 10 0 ADAERN CCCN(C)c1nc(C)cnc1C 306540134 345414385 /nfs/dbraw/zinc/41/43/85/345414385.db2.gz RHJZIGZGBDUIFM-UHFFFAOYSA-N 0 0 179.267 1.940 10 0 ADAERN CC[C@H](C)C(=O)Nc1c[nH]nc1C 306539901 345414399 /nfs/dbraw/zinc/41/43/99/345414399.db2.gz OIMBSQIOYHBQDM-LURJTMIESA-N 0 0 181.239 1.703 10 0 ADAERN COc1cc(C2=C[C@H](O)CC2)sn1 306539938 345414410 /nfs/dbraw/zinc/41/44/10/345414410.db2.gz OLXZWJPLSHIWAG-SSDOTTSWSA-N 0 0 197.259 1.690 10 0 ADAERN Cc1nn(C)cc1N[C@H]1CC[C@H]1C 306540395 345414419 /nfs/dbraw/zinc/41/44/19/345414419.db2.gz WDYBPDFMLJTJTI-APPZFPTMSA-N 0 0 179.267 1.939 10 0 ADAERN NC(=O)NCC1(F)CCCCC1 306540126 345414422 /nfs/dbraw/zinc/41/44/22/345414422.db2.gz RFWWNHXUKFNGDL-UHFFFAOYSA-N 0 0 174.219 1.327 10 0 ADAERN Cc1nn(C)cc1N[C@@H]1CC[C@@H]1C 306540397 345414465 /nfs/dbraw/zinc/41/44/65/345414465.db2.gz WDYBPDFMLJTJTI-IONNQARKSA-N 0 0 179.267 1.939 10 0 ADAERN Cc1coc(NCc2cccnn2)n1 306540273 345414467 /nfs/dbraw/zinc/41/44/67/345414467.db2.gz OQRNHUFAAOWJGC-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN Cc1ccc(N[C@@H]2CCC[C@@H]2O)nc1 306540314 345414471 /nfs/dbraw/zinc/41/44/71/345414471.db2.gz OTIHGNIRJZSPEK-ZJUUUORDSA-N 0 0 192.262 1.715 10 0 ADAERN CC(C)(F)C(=O)c1cnccn1 306540030 345414475 /nfs/dbraw/zinc/41/44/75/345414475.db2.gz VROCSUQEVOQZEZ-UHFFFAOYSA-N 0 0 168.171 1.407 10 0 ADAERN Cc1ccc(N[C@H]2CCC[C@@H]2O)nc1 306540312 345414480 /nfs/dbraw/zinc/41/44/80/345414480.db2.gz OTIHGNIRJZSPEK-UWVGGRQHSA-N 0 0 192.262 1.715 10 0 ADAERN CSc1ccc(N2CCCC2)nn1 306540516 345414622 /nfs/dbraw/zinc/41/46/22/345414622.db2.gz RVOUKNHFIUSROW-UHFFFAOYSA-N 0 0 195.291 1.799 10 0 ADAERN Cc1nn(C)cc1N[C@@H]1CC[C@H]1C 306540398 345414639 /nfs/dbraw/zinc/41/46/39/345414639.db2.gz WDYBPDFMLJTJTI-VXNVDRBHSA-N 0 0 179.267 1.939 10 0 ADAERN COc1nc([C@H](O)C(C)C)cs1 306540431 345414642 /nfs/dbraw/zinc/41/46/42/345414642.db2.gz WJVJCFNXWURHCH-SSDOTTSWSA-N 0 0 187.264 1.841 10 0 ADAERN COc1nc([C@@H](O)C(C)C)cs1 306540632 345414651 /nfs/dbraw/zinc/41/46/51/345414651.db2.gz WJVJCFNXWURHCH-ZETCQYMHSA-N 0 0 187.264 1.841 10 0 ADAERN c1nc(NCc2cocn2)c[nH]1 306540429 345414812 /nfs/dbraw/zinc/41/48/12/345414812.db2.gz WJIVXZKYTXWUSL-UHFFFAOYSA-N 0 0 164.168 1.010 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H]1C(=O)[O-] 306541386 345415560 /nfs/dbraw/zinc/41/55/60/345415560.db2.gz XQFASDGHLQKHMG-XGEHTFHBSA-N 0 0 183.251 1.238 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@H]1C(=O)[O-] 306541383 345415653 /nfs/dbraw/zinc/41/56/53/345415653.db2.gz XQFASDGHLQKHMG-HXFLIBJXSA-N 0 0 183.251 1.238 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C(=O)[O-] 306541385 345415661 /nfs/dbraw/zinc/41/56/61/345415661.db2.gz XQFASDGHLQKHMG-RYPBNFRJSA-N 0 0 183.251 1.238 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C(=O)[O-] 306541384 345415712 /nfs/dbraw/zinc/41/57/12/345415712.db2.gz XQFASDGHLQKHMG-LURQLKTLSA-N 0 0 183.251 1.238 10 0 ADAERN CC(=O)NC[C@@H](C)c1ccsc1 306541794 345415925 /nfs/dbraw/zinc/41/59/25/345415925.db2.gz YFZGNUMSMMXFLW-SSDOTTSWSA-N 0 0 183.276 1.988 10 0 ADAERN CC1(C)CCN1Cc1ccon1 306542174 345415937 /nfs/dbraw/zinc/41/59/37/345415937.db2.gz YTEHVHMQQYKDQR-UHFFFAOYSA-N 0 0 166.224 1.659 10 0 ADAERN CC(=O)NC[C@H](C)c1ccsc1 306541795 345415973 /nfs/dbraw/zinc/41/59/73/345415973.db2.gz YFZGNUMSMMXFLW-ZETCQYMHSA-N 0 0 183.276 1.988 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Nc1c[nH]cn1 306542128 345415999 /nfs/dbraw/zinc/41/59/99/345415999.db2.gz YOSTTXHMQNHJDC-RITPCOANSA-N 0 0 165.196 1.004 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Nc1c[nH]cn1 306542127 345416114 /nfs/dbraw/zinc/41/61/14/345416114.db2.gz YOSTTXHMQNHJDC-PHDIDXHHSA-N 0 0 165.196 1.004 10 0 ADAERN Cc1cc(N[C@@H]2CCCOC2)n(C)n1 306542000 345416127 /nfs/dbraw/zinc/41/61/27/345416127.db2.gz QDHHAXWWSWVDFT-SECBINFHSA-N 0 0 195.266 1.319 10 0 ADAERN CC(C)n1cc([C@@H]2NCCS2)nn1 306541799 345416154 /nfs/dbraw/zinc/41/61/54/345416154.db2.gz YHPFYSHEWULYMU-MRVPVSSYSA-N 0 0 198.295 1.194 10 0 ADAERN Cc1cncn1Cc1ccc(N)nc1 306542055 345416200 /nfs/dbraw/zinc/41/62/00/345416200.db2.gz QJJZDNRPTDZATF-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN C[C@](N)([C@@H]1CCCO1)C(F)(F)F 306541766 345416287 /nfs/dbraw/zinc/41/62/87/345416287.db2.gz YCCHSIXEFXKNCA-WDSKDSINSA-N 0 0 183.173 1.445 10 0 ADAERN C[C@@](N)([C@H]1CCCO1)C(F)(F)F 306541764 345416302 /nfs/dbraw/zinc/41/63/02/345416302.db2.gz YCCHSIXEFXKNCA-PHDIDXHHSA-N 0 0 183.173 1.445 10 0 ADAERN C[C@](N)([C@H]1CCCO1)C(F)(F)F 306541765 345416307 /nfs/dbraw/zinc/41/63/07/345416307.db2.gz YCCHSIXEFXKNCA-RITPCOANSA-N 0 0 183.173 1.445 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Nc1c[nH]cn1 306542129 345416316 /nfs/dbraw/zinc/41/63/16/345416316.db2.gz YOSTTXHMQNHJDC-WDSKDSINSA-N 0 0 165.196 1.004 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Nc1c[nH]cn1 306542126 345416320 /nfs/dbraw/zinc/41/63/20/345416320.db2.gz YOSTTXHMQNHJDC-NTSWFWBYSA-N 0 0 165.196 1.004 10 0 ADAERN C[C@@](N)([C@@H]1CCCO1)C(F)(F)F 306541763 345416341 /nfs/dbraw/zinc/41/63/41/345416341.db2.gz YCCHSIXEFXKNCA-NTSWFWBYSA-N 0 0 183.173 1.445 10 0 ADAERN Cc1cc(N[C@H]2CCCOC2)n(C)n1 306542001 345416381 /nfs/dbraw/zinc/41/63/81/345416381.db2.gz QDHHAXWWSWVDFT-VIFPVBQESA-N 0 0 195.266 1.319 10 0 ADAERN CC(C)n1cc([C@H]2NCCS2)nn1 306541800 345416392 /nfs/dbraw/zinc/41/63/92/345416392.db2.gz YHPFYSHEWULYMU-QMMMGPOBSA-N 0 0 198.295 1.194 10 0 ADAERN COC1([C@H]2CC(=O)N2)CCCCC1 306542336 345416522 /nfs/dbraw/zinc/41/65/22/345416522.db2.gz QPACXWSOFSXAHE-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN COC1([C@@H]2CC(=O)N2)CCCCC1 306542337 345416541 /nfs/dbraw/zinc/41/65/41/345416541.db2.gz QPACXWSOFSXAHE-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN CCNc1ncnc2sc(=O)[nH]c12 306542645 345416569 /nfs/dbraw/zinc/41/65/69/345416569.db2.gz QZLYFNOIIWRROF-UHFFFAOYSA-N 0 0 196.235 1.224 10 0 ADAERN CCC(C)(C)C(=O)N1CC(C)(F)C1 306542358 345416589 /nfs/dbraw/zinc/41/65/89/345416589.db2.gz QROBWZFNFMYIHM-UHFFFAOYSA-N 0 0 187.258 1.993 10 0 ADAERN CC[C@](C)(OC)[C@H]1CC(=O)N[C@H]1C 306542783 345416631 /nfs/dbraw/zinc/41/66/31/345416631.db2.gz RJAUMNSMWVCPPM-NRPADANISA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@](C)(OC)[C@H]1CC(=O)N[C@@H]1C 306542784 345416704 /nfs/dbraw/zinc/41/67/04/345416704.db2.gz RJAUMNSMWVCPPM-WEDXCCLWSA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@](C)(OC)[C@@H]1CC(=O)N[C@@H]1C 306542782 345416732 /nfs/dbraw/zinc/41/67/32/345416732.db2.gz RJAUMNSMWVCPPM-MRTMQBJTSA-N 0 0 185.267 1.326 10 0 ADAERN CC[C@@H]1CCN1C(=O)c1cnns1 306542751 345416807 /nfs/dbraw/zinc/41/68/07/345416807.db2.gz VIZZKGMONRZFKU-ZCFIWIBFSA-N 0 0 197.263 1.163 10 0 ADAERN CC[C@H]1CCN1C(=O)c1cnns1 306542749 345416817 /nfs/dbraw/zinc/41/68/17/345416817.db2.gz VIZZKGMONRZFKU-LURJTMIESA-N 0 0 197.263 1.163 10 0 ADAERN CC[C@](C)(OC)[C@@H]1CC(=O)N[C@H]1C 306542785 345416882 /nfs/dbraw/zinc/41/68/82/345416882.db2.gz RJAUMNSMWVCPPM-XKSSXDPKSA-N 0 0 185.267 1.326 10 0 ADAERN CCN(OC)c1ccc(N)c(C)n1 306542439 345416889 /nfs/dbraw/zinc/41/68/89/345416889.db2.gz YWEWMRLIRAXRDW-UHFFFAOYSA-N 0 0 181.239 1.360 10 0 ADAERN COC(=O)/C=C(/C)[C@@H]1CCCO1 306542968 345417054 /nfs/dbraw/zinc/41/70/54/345417054.db2.gz ZLZBGAGFXFZPLZ-UAPHAKCISA-N 0 0 170.208 1.285 10 0 ADAERN CC(C)(F)C(=O)c1cncnc1 306543064 345417073 /nfs/dbraw/zinc/41/70/73/345417073.db2.gz ZRPMHSBRNOCOTA-UHFFFAOYSA-N 0 0 168.171 1.407 10 0 ADAERN CON(C)c1cc(C)c(N)cc1F 306542994 345417094 /nfs/dbraw/zinc/41/70/94/345417094.db2.gz VPDTXCLRSPHURT-UHFFFAOYSA-N 0 0 184.214 1.714 10 0 ADAERN COC(=O)/C=C(/C)[C@H]1CCCO1 306542966 345417120 /nfs/dbraw/zinc/41/71/20/345417120.db2.gz ZLZBGAGFXFZPLZ-NFXKFNAJSA-N 0 0 170.208 1.285 10 0 ADAERN CSCCSC[C@H](C)O 306543169 345417229 /nfs/dbraw/zinc/41/72/29/345417229.db2.gz RSPFCEFNHUPSOZ-LURJTMIESA-N 0 0 166.311 1.463 10 0 ADAERN Cc1coc(NCCc2cn[nH]c2)n1 306543371 345417577 /nfs/dbraw/zinc/41/75/77/345417577.db2.gz SEEXRKUYBCPQPO-UHFFFAOYSA-N 0 0 192.222 1.361 10 0 ADAERN CCNc1cn2ccccc2n1 306543519 345417612 /nfs/dbraw/zinc/41/76/12/345417612.db2.gz WRGNNLLNRAXREG-UHFFFAOYSA-N 0 0 161.208 1.766 10 0 ADAERN Cc1nc(NCc2c[nH]nc2C)no1 306543629 345417673 /nfs/dbraw/zinc/41/76/73/345417673.db2.gz SPKFZYFUJADAKZ-UHFFFAOYSA-N 0 0 193.210 1.022 10 0 ADAERN NC(=O)Oc1c(N)cccc1Cl 306543431 345417822 /nfs/dbraw/zinc/41/78/22/345417822.db2.gz WFOWDSXQIMVMEZ-UHFFFAOYSA-N 0 0 186.598 1.380 10 0 ADAERN Cc1nc(CNc2ncccn2)c[nH]1 306543684 345417938 /nfs/dbraw/zinc/41/79/38/345417938.db2.gz SUVJPUWXAKZRBR-UHFFFAOYSA-N 0 0 189.222 1.120 10 0 ADAERN COc1cc([C@@H](O)C2(C)CC2)sn1 306544094 345418060 /nfs/dbraw/zinc/41/80/60/345418060.db2.gz UGEWJOIDBZIZMG-MRVPVSSYSA-N 0 0 199.275 1.985 10 0 ADAERN COc1cc([C@H](O)C2(C)CC2)sn1 306544095 345418096 /nfs/dbraw/zinc/41/80/96/345418096.db2.gz UGEWJOIDBZIZMG-QMMMGPOBSA-N 0 0 199.275 1.985 10 0 ADAERN COc1ccc(NCC2(C)CC2)nn1 306544118 345418203 /nfs/dbraw/zinc/41/82/03/345418203.db2.gz UJAUZZOFBPQODI-UHFFFAOYSA-N 0 0 193.250 1.697 10 0 ADAERN Cc1ccoc1[C@H](O)c1cn(C)cn1 306543852 345418216 /nfs/dbraw/zinc/41/82/16/345418216.db2.gz SXRMUJAKVZQZGE-SECBINFHSA-N 0 0 192.218 1.403 10 0 ADAERN Cc1ccoc1[C@@H](O)c1cn(C)cn1 306543853 345418230 /nfs/dbraw/zinc/41/82/30/345418230.db2.gz SXRMUJAKVZQZGE-VIFPVBQESA-N 0 0 192.218 1.403 10 0 ADAERN COCc1cc(NC(C)(C)C)ncn1 306544156 345418243 /nfs/dbraw/zinc/41/82/43/345418243.db2.gz UMPPHPJIXGGWCA-UHFFFAOYSA-N 0 0 195.266 1.833 10 0 ADAERN CC(C)[C@@H](C)n1cc([O-])cn1 306544138 345418281 /nfs/dbraw/zinc/41/82/81/345418281.db2.gz ULINKVOPBMOEER-SSDOTTSWSA-N 0 0 154.213 1.806 10 0 ADAERN CC(C)[C@H](C)n1cc([O-])cn1 306544139 345418311 /nfs/dbraw/zinc/41/83/11/345418311.db2.gz ULINKVOPBMOEER-ZETCQYMHSA-N 0 0 154.213 1.806 10 0 ADAERN CC(C)(CF)NC(=O)c1cnco1 306544340 345418691 /nfs/dbraw/zinc/41/86/91/345418691.db2.gz UUADIMKUJAZMQC-UHFFFAOYSA-N 0 0 186.186 1.153 10 0 ADAERN CC(=O)N1C[C@H]2CCC(F)(F)[C@@H]2C1 306544514 345418710 /nfs/dbraw/zinc/41/87/10/345418710.db2.gz YKPXLPCNIKOBAF-HTQZYQBOSA-N 0 0 189.205 1.510 10 0 ADAERN O=C1CCC(O)(c2ccc[nH]2)CC1 306544517 345418721 /nfs/dbraw/zinc/41/87/21/345418721.db2.gz YKQYMUVVPHJXPW-UHFFFAOYSA-N 0 0 179.219 1.345 10 0 ADAERN CC[C@H](C)NC(=O)[C@H]1CC[C@H](O)C1 306544598 345418724 /nfs/dbraw/zinc/41/87/24/345418724.db2.gz VFQBJSIIEYLVDM-CIUDSAMLSA-N 0 0 185.267 1.062 10 0 ADAERN CC(=O)c1c[nH]c(-c2cnn(C)c2)n1 306544647 345418752 /nfs/dbraw/zinc/41/87/52/345418752.db2.gz VJYYTMIHVWXSEN-UHFFFAOYSA-N 0 0 190.206 1.013 10 0 ADAERN CC(=O)N1C[C@H]2CCC(F)(F)[C@H]2C1 306544515 345418754 /nfs/dbraw/zinc/41/87/54/345418754.db2.gz YKPXLPCNIKOBAF-SFYZADRCSA-N 0 0 189.205 1.510 10 0 ADAERN CC(=O)N1C[C@@H]2CCC(F)(F)[C@H]2C1 306544516 345418755 /nfs/dbraw/zinc/41/87/55/345418755.db2.gz YKPXLPCNIKOBAF-YUMQZZPRSA-N 0 0 189.205 1.510 10 0 ADAERN CC(C)[C@H](C)C(=O)C(C)(C)O 306544571 345418760 /nfs/dbraw/zinc/41/87/60/345418760.db2.gz VCUOJRAMHDPWIY-ZETCQYMHSA-N 0 0 158.241 1.619 10 0 ADAERN CC[C@H](C)NC(=O)[C@H]1CC[C@@H](O)C1 306544600 345418801 /nfs/dbraw/zinc/41/88/01/345418801.db2.gz VFQBJSIIEYLVDM-XHNCKOQMSA-N 0 0 185.267 1.062 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1CC[C@H](O)C1 306544601 345418804 /nfs/dbraw/zinc/41/88/04/345418804.db2.gz VFQBJSIIEYLVDM-YIZRAAEISA-N 0 0 185.267 1.062 10 0 ADAERN Cc1cc(C)nc(-c2noc(N)n2)c1 306544425 345418861 /nfs/dbraw/zinc/41/88/61/345418861.db2.gz UZUFECATFWBQDS-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1CC[C@@H](O)C1 306544599 345418868 /nfs/dbraw/zinc/41/88/68/345418868.db2.gz VFQBJSIIEYLVDM-DJLDLDEBSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)[C@@H](C)C(=O)C(C)(C)O 306544570 345418915 /nfs/dbraw/zinc/41/89/15/345418915.db2.gz VCUOJRAMHDPWIY-SSDOTTSWSA-N 0 0 158.241 1.619 10 0 ADAERN COc1cccc(-c2cc[nH]n2)n1 306545300 345419239 /nfs/dbraw/zinc/41/92/39/345419239.db2.gz DKNTTXGLYNBKRK-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN CC1CN(C(=O)C=C2CCC2)C1 306545064 345419255 /nfs/dbraw/zinc/41/92/55/345419255.db2.gz CLGOGQCPYFGTEY-UHFFFAOYSA-N 0 0 165.236 1.575 10 0 ADAERN C[C@@H]1CCCN(c2nnco2)C1 306545239 345419260 /nfs/dbraw/zinc/41/92/60/345419260.db2.gz DJBIFHDCFRHDFM-SSDOTTSWSA-N 0 0 167.212 1.306 10 0 ADAERN O=c1cc(NC2CCCC2)[nH]c(=O)[nH]1 306544996 345419290 /nfs/dbraw/zinc/41/92/90/345419290.db2.gz ZYBKOQYDMJQDLR-UHFFFAOYSA-N 0 0 195.222 1.242 10 0 ADAERN O[C@H]1CON(C2CCCCCC2)C1 306545033 345419294 /nfs/dbraw/zinc/41/92/94/345419294.db2.gz CGSMGSRPHUYIGK-SNVBAGLBSA-N 0 0 185.267 1.317 10 0 ADAERN Cc1cc(NCc2cc[nH]n2)n(C)n1 306545247 345419307 /nfs/dbraw/zinc/41/93/07/345419307.db2.gz VQEHIEMOWGCSNT-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN CCNC(=O)c1ccc(O)c(F)c1 306545104 345419321 /nfs/dbraw/zinc/41/93/21/345419321.db2.gz DGMRUEYSKIFYTD-UHFFFAOYSA-N 0 0 183.182 1.281 10 0 ADAERN C[C@H]1CCCN(c2nnco2)C1 306545243 345419331 /nfs/dbraw/zinc/41/93/31/345419331.db2.gz DJBIFHDCFRHDFM-ZETCQYMHSA-N 0 0 167.212 1.306 10 0 ADAERN CNC(=O)C=C(C)NC1CCCC1 306544844 345419365 /nfs/dbraw/zinc/41/93/65/345419365.db2.gz ZIEYEJBNYOUPET-FPLPWBNLSA-N 0 0 182.267 1.168 10 0 ADAERN COc1nccnc1N[C@@H]1CC1(C)C 306545295 345419406 /nfs/dbraw/zinc/41/94/06/345419406.db2.gz VSHACEIKYRZILC-SSDOTTSWSA-N 0 0 193.250 1.696 10 0 ADAERN CCCNC(=O)C(F)(F)Cl 306545177 345419419 /nfs/dbraw/zinc/41/94/19/345419419.db2.gz DHJKWTAPLXBLTL-UHFFFAOYSA-N 0 0 171.574 1.344 10 0 ADAERN COc1nccnc1N[C@H]1CC1(C)C 306545298 345419426 /nfs/dbraw/zinc/41/94/26/345419426.db2.gz VSHACEIKYRZILC-ZETCQYMHSA-N 0 0 193.250 1.696 10 0 ADAERN CC(=O)N[C@@H]1[C@H]2CCCC[C@H]21 306545194 345419443 /nfs/dbraw/zinc/41/94/43/345419443.db2.gz DITYREFIJIDXQK-BRPSZJMVSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@H]1SCC[C@@H]1Nc1cnnn1C 306545726 345419673 /nfs/dbraw/zinc/41/96/73/345419673.db2.gz CWQGORJHGVFSRA-RQJHMYQMSA-N 0 0 198.295 1.121 10 0 ADAERN C[C@@H](CO)Nc1ccccc1N(C)C 306545826 345419745 /nfs/dbraw/zinc/41/97/45/345419745.db2.gz WDLUIXWRJPHLTH-VIFPVBQESA-N 0 0 194.278 1.545 10 0 ADAERN C[C@H](CO)Nc1ccccc1N(C)C 306545823 345419871 /nfs/dbraw/zinc/41/98/71/345419871.db2.gz WDLUIXWRJPHLTH-SECBINFHSA-N 0 0 194.278 1.545 10 0 ADAERN C[C@H]1SCC[C@H]1Nc1cnnn1C 306545723 345419764 /nfs/dbraw/zinc/41/97/64/345419764.db2.gz CWQGORJHGVFSRA-RNFRBKRXSA-N 0 0 198.295 1.121 10 0 ADAERN CCC(=O)NCc1cccc(Cl)n1 306545800 345419766 /nfs/dbraw/zinc/41/97/66/345419766.db2.gz WBNHBXSIAOZSIX-UHFFFAOYSA-N 0 0 198.653 1.761 10 0 ADAERN C[C@@H]1SCC[C@H]1Nc1cnnn1C 306545721 345419768 /nfs/dbraw/zinc/41/97/68/345419768.db2.gz CWQGORJHGVFSRA-NKWVEPMBSA-N 0 0 198.295 1.121 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1ccccn1 306545553 345419804 /nfs/dbraw/zinc/41/98/04/345419804.db2.gz CNXXVLODBZADPQ-CBAPKCEASA-N 0 0 176.219 1.220 10 0 ADAERN CCn1ccnc1[C@]1(O)C[C@@H](C)[C@@H]1C 306545725 345419865 /nfs/dbraw/zinc/41/98/65/345419865.db2.gz AWWPGGGHYWEADA-YWVKMMECSA-N 0 0 194.278 1.767 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1ccccn1 306545554 345419875 /nfs/dbraw/zinc/41/98/75/345419875.db2.gz CNXXVLODBZADPQ-IONNQARKSA-N 0 0 176.219 1.220 10 0 ADAERN CCn1ccnc1[C@]1(O)C[C@@H](C)[C@H]1C 306545703 345419901 /nfs/dbraw/zinc/41/99/01/345419901.db2.gz AWWPGGGHYWEADA-KKZNHRDASA-N 0 0 194.278 1.767 10 0 ADAERN CCn1ccnc1[C@]1(O)C[C@H](C)[C@@H]1C 306545718 345419971 /nfs/dbraw/zinc/41/99/71/345419971.db2.gz AWWPGGGHYWEADA-QXEWZRGKSA-N 0 0 194.278 1.767 10 0 ADAERN C[C@@H]1SCC[C@@H]1Nc1cnnn1C 306545719 345420029 /nfs/dbraw/zinc/42/00/29/345420029.db2.gz CWQGORJHGVFSRA-BQBZGAKWSA-N 0 0 198.295 1.121 10 0 ADAERN CC(C)(C)/C=C/C(=O)N1CCCO1 306545390 345420049 /nfs/dbraw/zinc/42/00/49/345420049.db2.gz VUCLZARCPVWMLL-AATRIKPKSA-N 0 0 183.251 1.753 10 0 ADAERN CCn1ccnc1[C@]1(O)C[C@H](C)[C@H]1C 306545710 345420074 /nfs/dbraw/zinc/42/00/74/345420074.db2.gz AWWPGGGHYWEADA-NGZCFLSTSA-N 0 0 194.278 1.767 10 0 ADAERN Fc1cc(F)cc(CN2CCCN2)c1 306546127 345420578 /nfs/dbraw/zinc/42/05/78/345420578.db2.gz AEJFDZYQEUAMHG-UHFFFAOYSA-N 0 0 198.216 1.675 10 0 ADAERN C[C@H]1[C@H](C)C[C@]12CNC(=O)C2 306546295 345420828 /nfs/dbraw/zinc/42/08/28/345420828.db2.gz ALLDKECOFBEWQM-FJXKBIBVSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@@H]1CCN(C(=O)C2CC2)C[C@H]1F 306546255 345420836 /nfs/dbraw/zinc/42/08/36/345420836.db2.gz WLBMDQWVKBDMEN-VXNVDRBHSA-N 0 0 185.242 1.603 10 0 ADAERN C[C@H]1CCN(C(=O)C2CC2)C[C@@H]1F 306546251 345420852 /nfs/dbraw/zinc/42/08/52/345420852.db2.gz WLBMDQWVKBDMEN-CBAPKCEASA-N 0 0 185.242 1.603 10 0 ADAERN C[C@H](O)C(=O)O[C@H]1CC[C@@H](C)C1 306546208 345420854 /nfs/dbraw/zinc/42/08/54/345420854.db2.gz HXLIAYMYXPALRR-CSMHCCOUSA-N 0 0 172.224 1.099 10 0 ADAERN C[C@@H]1C[C@@]2(CNC(=O)C2)[C@@H]1C 306546297 345420897 /nfs/dbraw/zinc/42/08/97/345420897.db2.gz ALLDKECOFBEWQM-ZXFLCMHBSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]12CNC(=O)C2 306546293 345420900 /nfs/dbraw/zinc/42/09/00/345420900.db2.gz ALLDKECOFBEWQM-BKPPORCPSA-N 0 0 153.225 1.169 10 0 ADAERN C/C=C/C(=O)Nc1nc(C)c(C)o1 306546450 345420925 /nfs/dbraw/zinc/42/09/25/345420925.db2.gz WTZTWAOYIGESCY-SNAWJCMRSA-N 0 0 180.207 1.806 10 0 ADAERN C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1F 306546249 345421044 /nfs/dbraw/zinc/42/10/44/345421044.db2.gz WLBMDQWVKBDMEN-APPZFPTMSA-N 0 0 185.242 1.603 10 0 ADAERN C[C@H](O)C(=O)O[C@@H]1CC[C@@H](C)C1 306546209 345421055 /nfs/dbraw/zinc/42/10/55/345421055.db2.gz HXLIAYMYXPALRR-GJMOJQLCSA-N 0 0 172.224 1.099 10 0 ADAERN C[C@H]1CCN(C(=O)C2CC2)C[C@H]1F 306546253 345421057 /nfs/dbraw/zinc/42/10/57/345421057.db2.gz WLBMDQWVKBDMEN-IONNQARKSA-N 0 0 185.242 1.603 10 0 ADAERN C[C@@H]1C[C@]2(CNC(=O)C2)[C@@H]1C 306546290 345421071 /nfs/dbraw/zinc/42/10/71/345421071.db2.gz ALLDKECOFBEWQM-BHNWBGBOSA-N 0 0 153.225 1.169 10 0 ADAERN CNc1nc(C(C)C)ncc1OC 306546368 345421101 /nfs/dbraw/zinc/42/11/01/345421101.db2.gz CZFMRGKLWNLULV-UHFFFAOYSA-N 0 0 181.239 1.650 10 0 ADAERN CC1(C)CCCN1C(=O)C1COC1 306546516 345421115 /nfs/dbraw/zinc/42/11/15/345421115.db2.gz DMQLFCCYSIBCQS-UHFFFAOYSA-N 0 0 183.251 1.034 10 0 ADAERN Cc1nc(C(=N)N2CCCC2)co1 306546513 345421146 /nfs/dbraw/zinc/42/11/46/345421146.db2.gz DLYUWHFBBDLFSR-UHFFFAOYSA-N 0 0 179.223 1.404 10 0 ADAERN CCCNC(=O)C1=CCCC1 306547137 345421399 /nfs/dbraw/zinc/42/13/99/345421399.db2.gz FRUSBQXEIZGWDB-UHFFFAOYSA-N 0 0 153.225 1.623 10 0 ADAERN C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C2CC2)C(=O)O1 306546682 345421405 /nfs/dbraw/zinc/42/14/05/345421405.db2.gz BVACQVFTDMTVNT-NEPJDUFXSA-N 0 0 195.262 1.079 10 0 ADAERN C[C@@H]1C[C@H](N[C@H]2C[C@H]2C2CC2)C(=O)O1 306546681 345421464 /nfs/dbraw/zinc/42/14/64/345421464.db2.gz BVACQVFTDMTVNT-CUJWVEQBSA-N 0 0 195.262 1.079 10 0 ADAERN C[C@H](N)c1nc2c(s1)C(=O)CCC2 306546725 345421532 /nfs/dbraw/zinc/42/15/32/345421532.db2.gz BXWBVNUBOPLDHW-YFKPBYRVSA-N 0 0 196.275 1.682 10 0 ADAERN C[C@@H]1C[C@H](N[C@@H]2C[C@@H]2C2CC2)C(=O)O1 306546686 345421587 /nfs/dbraw/zinc/42/15/87/345421587.db2.gz BVACQVFTDMTVNT-QQRDMOCMSA-N 0 0 195.262 1.079 10 0 ADAERN O=C(c1csnn1)c1ccns1 306546915 345421673 /nfs/dbraw/zinc/42/16/73/345421673.db2.gz AVTMFNFGUCQRKB-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN Cc1cc(C[C@@H](C)CO)sn1 306546901 345421677 /nfs/dbraw/zinc/42/16/77/345421677.db2.gz AUZJDAQRHNGMNI-ZCFIWIBFSA-N 0 0 171.265 1.622 10 0 ADAERN C[C@@H](N)c1nc2c(s1)C(=O)CCC2 306546724 345421708 /nfs/dbraw/zinc/42/17/08/345421708.db2.gz BXWBVNUBOPLDHW-RXMQYKEDSA-N 0 0 196.275 1.682 10 0 ADAERN Cc1cc(C[C@H](C)CO)sn1 306546900 345421737 /nfs/dbraw/zinc/42/17/37/345421737.db2.gz AUZJDAQRHNGMNI-LURJTMIESA-N 0 0 171.265 1.622 10 0 ADAERN C[C@@H]1CCN(C(=O)C(F)(F)Cl)C1 306547379 345421965 /nfs/dbraw/zinc/42/19/65/345421965.db2.gz KEABFJCZQCIYRJ-RXMQYKEDSA-N 0 0 197.612 1.686 10 0 ADAERN COc1nc(C)nc(NCCF)c1C 306547225 345422204 /nfs/dbraw/zinc/42/22/04/345422204.db2.gz XBXASXHCEAYBHL-UHFFFAOYSA-N 0 0 199.229 1.483 10 0 ADAERN C[C@H]1CCN(C(=O)C(F)(F)Cl)C1 306547380 345422220 /nfs/dbraw/zinc/42/22/20/345422220.db2.gz KEABFJCZQCIYRJ-YFKPBYRVSA-N 0 0 197.612 1.686 10 0 ADAERN C1=C(c2cc[nH]n2)CCOC1 306547145 345422260 /nfs/dbraw/zinc/42/22/60/345422260.db2.gz DUIDNQXFPHEEOM-UHFFFAOYSA-N 0 0 150.181 1.213 10 0 ADAERN C[C@@H](O)C(=O)O[C@@H]1C=CCCC1 306548054 345422361 /nfs/dbraw/zinc/42/23/61/345422361.db2.gz MVNDWYLLYGLAGO-HTQZYQBOSA-N 0 0 170.208 1.019 10 0 ADAERN Cc1ccoc1C(=O)N1CC(C)C1 306547789 345422376 /nfs/dbraw/zinc/42/23/76/345422376.db2.gz XGQOQFGVWWXDSM-UHFFFAOYSA-N 0 0 179.219 1.680 10 0 ADAERN COC(=O)N1[C@@H](C)C[C@H]1C 306547711 345422449 /nfs/dbraw/zinc/42/24/49/345422449.db2.gz GBJKPVPABSTYKI-OLQVQODUSA-N 0 0 143.186 1.236 10 0 ADAERN Cc1coc(NCc2cncn2C)n1 306547913 345422463 /nfs/dbraw/zinc/42/24/63/345422463.db2.gz XPJAMHUDHUGPLG-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN C[C@H](O)C(=O)O[C@@H]1C=CCCC1 306548055 345422533 /nfs/dbraw/zinc/42/25/33/345422533.db2.gz MVNDWYLLYGLAGO-JGVFFNPUSA-N 0 0 170.208 1.019 10 0 ADAERN Clc1cnccc1CN1CCCN1 306547550 345422544 /nfs/dbraw/zinc/42/25/44/345422544.db2.gz AZHCLYOVPXQYSJ-UHFFFAOYSA-N 0 0 197.669 1.445 10 0 ADAERN COC(=O)N1[C@@H](C)C[C@@H]1C 306547713 345422569 /nfs/dbraw/zinc/42/25/69/345422569.db2.gz GBJKPVPABSTYKI-WDSKDSINSA-N 0 0 143.186 1.236 10 0 ADAERN CCC(=O)NC(=N)CC(F)(F)F 306548117 345422629 /nfs/dbraw/zinc/42/26/29/345422629.db2.gz NVHXAUFETFXQFX-UHFFFAOYSA-N 0 0 182.145 1.442 10 0 ADAERN COC(=O)N1[C@H](C)C[C@H]1C 306547712 345422677 /nfs/dbraw/zinc/42/26/77/345422677.db2.gz GBJKPVPABSTYKI-PHDIDXHHSA-N 0 0 143.186 1.236 10 0 ADAERN C[C@@H](O)C(=O)O[C@H]1C=CCCC1 306548058 345422696 /nfs/dbraw/zinc/42/26/96/345422696.db2.gz MVNDWYLLYGLAGO-SFYZADRCSA-N 0 0 170.208 1.019 10 0 ADAERN C[C@H](O)C(=O)O[C@H]1C=CCCC1 306548060 345422730 /nfs/dbraw/zinc/42/27/30/345422730.db2.gz MVNDWYLLYGLAGO-YUMQZZPRSA-N 0 0 170.208 1.019 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)C1CC(F)(F)C1 306547867 345422755 /nfs/dbraw/zinc/42/27/55/345422755.db2.gz XMTMNKAXYRQQDE-FSPLSTOPSA-N 0 0 189.205 1.556 10 0 ADAERN CCC(=O)N[C@H]1C[C@@]1(C)CC 306548423 345422844 /nfs/dbraw/zinc/42/28/44/345422844.db2.gz BOTDNZBDKKIOGV-IONNQARKSA-N 0 0 155.241 1.701 10 0 ADAERN CCC(=O)N[C@@H]1C[C@]1(C)CC 306548421 345422888 /nfs/dbraw/zinc/42/28/88/345422888.db2.gz BOTDNZBDKKIOGV-APPZFPTMSA-N 0 0 155.241 1.701 10 0 ADAERN CCC(=O)N[C@H]1C[C@]1(C)CC 306548422 345422930 /nfs/dbraw/zinc/42/29/30/345422930.db2.gz BOTDNZBDKKIOGV-CBAPKCEASA-N 0 0 155.241 1.701 10 0 ADAERN CCC(=O)N[C@@H]1C[C@@]1(C)CC 306548425 345423180 /nfs/dbraw/zinc/42/31/80/345423180.db2.gz BOTDNZBDKKIOGV-VXNVDRBHSA-N 0 0 155.241 1.701 10 0 ADAERN CC[C@@H]1C[C@H]1[C@H](O)c1nnc(C)n1C 306548492 345423005 /nfs/dbraw/zinc/42/30/05/345423005.db2.gz BSGRLNSRWJTLPH-HLTSFMKQSA-N 0 0 195.266 1.203 10 0 ADAERN CC[C@@H]1C[C@H]1[C@@H](O)c1nnc(C)n1C 306548493 345423041 /nfs/dbraw/zinc/42/30/41/345423041.db2.gz BSGRLNSRWJTLPH-IWSPIJDZSA-N 0 0 195.266 1.203 10 0 ADAERN Cc1coc(NC[C@H](C)CO)n1 306548708 345423436 /nfs/dbraw/zinc/42/34/36/345423436.db2.gz OIXUHOJDNWYDDZ-LURJTMIESA-N 0 0 170.212 1.023 10 0 ADAERN Cc1coc(N[C@H]2CCCC[C@H]2O)n1 306548937 345423452 /nfs/dbraw/zinc/42/34/52/345423452.db2.gz YFTHBYQPXVNJPM-DTWKUNHWSA-N 0 0 196.250 1.698 10 0 ADAERN Cc1coc(NC[C@@H](C)CO)n1 306548714 345423456 /nfs/dbraw/zinc/42/34/56/345423456.db2.gz OIXUHOJDNWYDDZ-ZCFIWIBFSA-N 0 0 170.212 1.023 10 0 ADAERN C[C@@]1(C(=O)NCCF)CCCS1 306548766 345423463 /nfs/dbraw/zinc/42/34/63/345423463.db2.gz PBGRIIWLMQHYCF-QMMMGPOBSA-N 0 0 191.271 1.358 10 0 ADAERN Cc1cnc([C@@H](C)N2CCC2)o1 306548739 345423477 /nfs/dbraw/zinc/42/34/77/345423477.db2.gz OLDSVUKCGKVZEB-MRVPVSSYSA-N 0 0 166.224 1.750 10 0 ADAERN Cc1cncc(N[C@@H]2CC[C@@H]3C[C@@H]32)n1 306548879 345423480 /nfs/dbraw/zinc/42/34/80/345423480.db2.gz YBBWCENNXFZAKB-KXUCPTDWSA-N 0 0 189.262 1.995 10 0 ADAERN Cc1cnc([C@H](C)N2CCC2)o1 306548740 345423516 /nfs/dbraw/zinc/42/35/16/345423516.db2.gz OLDSVUKCGKVZEB-QMMMGPOBSA-N 0 0 166.224 1.750 10 0 ADAERN Cc1coc(N[C@H]2CCCC[C@@H]2O)n1 306548938 345423525 /nfs/dbraw/zinc/42/35/25/345423525.db2.gz YFTHBYQPXVNJPM-IUCAKERBSA-N 0 0 196.250 1.698 10 0 ADAERN Cc1cncc(N[C@@H]2CC[C@H]3C[C@H]32)n1 306548877 345423624 /nfs/dbraw/zinc/42/36/24/345423624.db2.gz YBBWCENNXFZAKB-IVZWLZJFSA-N 0 0 189.262 1.995 10 0 ADAERN Cc1coc(N[C@@H]2CCCC[C@H]2O)n1 306548939 345423646 /nfs/dbraw/zinc/42/36/46/345423646.db2.gz YFTHBYQPXVNJPM-RKDXNWHRSA-N 0 0 196.250 1.698 10 0 ADAERN CC(C)[C@@H](C)NC(=O)c1cncs1 306548812 345423656 /nfs/dbraw/zinc/42/36/56/345423656.db2.gz XVXYAICSPODWAW-SSDOTTSWSA-N 0 0 198.291 1.917 10 0 ADAERN C[C@]1(C(=O)NCCF)CCCS1 306548765 345423678 /nfs/dbraw/zinc/42/36/78/345423678.db2.gz PBGRIIWLMQHYCF-MRVPVSSYSA-N 0 0 191.271 1.358 10 0 ADAERN CC(C)CCC(=O)Nc1cn[nH]n1 306548890 345423680 /nfs/dbraw/zinc/42/36/80/345423680.db2.gz YBUNVPZLYNVPPW-UHFFFAOYSA-N 0 0 182.227 1.179 10 0 ADAERN CC1(NC(=O)[C@@]2(C)CCCO2)CC1 306549389 345423953 /nfs/dbraw/zinc/42/39/53/345423953.db2.gz YHBRTPKYKAZRKF-SNVBAGLBSA-N 0 0 183.251 1.224 10 0 ADAERN CC1(NC(=O)[C@]2(C)CCCO2)CC1 306549388 345424055 /nfs/dbraw/zinc/42/40/55/345424055.db2.gz YHBRTPKYKAZRKF-JTQLQIEISA-N 0 0 183.251 1.224 10 0 ADAERN Cc1cncc(NCc2cocn2)n1 306549390 345424060 /nfs/dbraw/zinc/42/40/60/345424060.db2.gz YHFGQYMOTAPBIV-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN COCCNc1c(C)n[nH]c1C 306549192 345424070 /nfs/dbraw/zinc/42/40/70/345424070.db2.gz BYKFYLSIDSIDSC-UHFFFAOYSA-N 0 0 169.228 1.085 10 0 ADAERN Oc1cccc(NC2CSC2)c1 306549241 345424076 /nfs/dbraw/zinc/42/40/76/345424076.db2.gz GUTBMNNXTJUHBN-UHFFFAOYSA-N 0 0 181.260 1.920 10 0 ADAERN COC(C)(C)[C@H]1C[NH2+]CC(C)(C)O1 306549403 345424106 /nfs/dbraw/zinc/42/41/06/345424106.db2.gz YJCKGIHIRPDSMB-MRVPVSSYSA-N 0 0 187.283 1.178 10 0 ADAERN CCNC(=O)Nc1nocc1C 306549145 345424125 /nfs/dbraw/zinc/42/41/25/345424125.db2.gz GRACQUYFXGIUON-UHFFFAOYSA-N 0 0 169.184 1.124 10 0 ADAERN C[C@@H]([C@H]1CC1(C)C)N1CCCNC1=O 306549772 345424654 /nfs/dbraw/zinc/42/46/54/345424654.db2.gz CFLASIIHGKEUHB-DTWKUNHWSA-N 0 0 196.294 1.836 10 0 ADAERN C[C@H]([C@@H]1CC1(C)C)N1CCCNC1=O 306549770 345424753 /nfs/dbraw/zinc/42/47/53/345424753.db2.gz CFLASIIHGKEUHB-BDAKNGLRSA-N 0 0 196.294 1.836 10 0 ADAERN C[C@H]([C@H]1CC1(C)C)N1CCCNC1=O 306549774 345424788 /nfs/dbraw/zinc/42/47/88/345424788.db2.gz CFLASIIHGKEUHB-RKDXNWHRSA-N 0 0 196.294 1.836 10 0 ADAERN COC1(CNC#N)CCCC1 306549891 345424794 /nfs/dbraw/zinc/42/47/94/345424794.db2.gz DYKKQKYSSDMVIL-UHFFFAOYSA-N 0 0 154.213 1.016 10 0 ADAERN C[C@@H]([C@@H]1CC1(C)C)N1CCCNC1=O 306549773 345424848 /nfs/dbraw/zinc/42/48/48/345424848.db2.gz CFLASIIHGKEUHB-IUCAKERBSA-N 0 0 196.294 1.836 10 0 ADAERN COC1([C@H]2CNC(=O)O2)CCCC1 306549467 345424866 /nfs/dbraw/zinc/42/48/66/345424866.db2.gz YRRQUXKOWZMZMU-SSDOTTSWSA-N 0 0 185.223 1.054 10 0 ADAERN COC1([C@@H]2CNC(=O)O2)CCCC1 306549469 345424910 /nfs/dbraw/zinc/42/49/10/345424910.db2.gz YRRQUXKOWZMZMU-ZETCQYMHSA-N 0 0 185.223 1.054 10 0 ADAERN CC(C)N(C)C(=O)Nc1cn[nH]c1 306549963 345425198 /nfs/dbraw/zinc/42/51/98/345425198.db2.gz YYECWMUTTQOORV-UHFFFAOYSA-N 0 0 182.227 1.282 10 0 ADAERN C[C@]1([C@@H]2CNC(=O)O2)CCCS1 306550143 345425279 /nfs/dbraw/zinc/42/52/79/345425279.db2.gz HHTJPEFMXWBESK-POYBYMJQSA-N 0 0 187.264 1.381 10 0 ADAERN CC[C@H](C(N)=O)c1c(C)noc1C 306549940 345425368 /nfs/dbraw/zinc/42/53/68/345425368.db2.gz YULWRXMWATUMKR-ZETCQYMHSA-N 0 0 182.223 1.270 10 0 ADAERN Cc1nnc(NC(=O)CC(C)C)o1 306550025 345425399 /nfs/dbraw/zinc/42/53/99/345425399.db2.gz ZFTIJKBOZYWTJM-UHFFFAOYSA-N 0 0 183.211 1.363 10 0 ADAERN C[C@]1([C@H]2CNC(=O)O2)CCCS1 306550142 345425440 /nfs/dbraw/zinc/42/54/40/345425440.db2.gz HHTJPEFMXWBESK-HTRCEHHLSA-N 0 0 187.264 1.381 10 0 ADAERN C[C@@]1([C@H]2CNC(=O)O2)CCCS1 306550785 345425938 /nfs/dbraw/zinc/42/59/38/345425938.db2.gz HHTJPEFMXWBESK-SVRRBLITSA-N 0 0 187.264 1.381 10 0 ADAERN Cc1cccc(N[C@H]2CCC[C@H]2O)n1 306550656 345425841 /nfs/dbraw/zinc/42/58/41/345425841.db2.gz ZIWABVHLKBFFJJ-VHSXEESVSA-N 0 0 192.262 1.715 10 0 ADAERN Oc1ccc2c(c1)OC[C@@H]2NCCF 306550662 345425872 /nfs/dbraw/zinc/42/58/72/345425872.db2.gz ZJCDCQKEYVHDDA-VIFPVBQESA-N 0 0 197.209 1.385 10 0 ADAERN COc1cc(N[C@@H](C)CO)ccc1F 306550788 345425920 /nfs/dbraw/zinc/42/59/20/345425920.db2.gz ZSLMPJNGUOUJDC-ZETCQYMHSA-N 0 0 199.225 1.627 10 0 ADAERN Cc1ncc(-n2cccc2C=O)cn1 306550353 345425971 /nfs/dbraw/zinc/42/59/71/345425971.db2.gz CMQDUJOVUXAEBV-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN Cc1cccc(N[C@@H]2CCC[C@@H]2O)n1 306550657 345425996 /nfs/dbraw/zinc/42/59/96/345425996.db2.gz ZIWABVHLKBFFJJ-ZJUUUORDSA-N 0 0 192.262 1.715 10 0 ADAERN O=[S@@](c1ccccc1)N1CCCO1 306550264 345426028 /nfs/dbraw/zinc/42/60/28/345426028.db2.gz CIOSLTILRQFIBN-ZDUSSCGKSA-N 0 0 197.259 1.347 10 0 ADAERN CCNC(=O)N[C@@H]1[C@H]2CCC[C@H]21 306550416 345426037 /nfs/dbraw/zinc/42/60/37/345426037.db2.gz VXZHZFUBUHBXRU-JIGDXULJSA-N 0 0 168.240 1.104 10 0 ADAERN CC(C)(C)C(C)(C)N1C[C@@H](O)CC1=O 306550561 345426097 /nfs/dbraw/zinc/42/60/97/345426097.db2.gz FHGMVDNNKMXXSW-QMMMGPOBSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)(C)C(C)(C)N1C[C@H](O)CC1=O 306550560 345426129 /nfs/dbraw/zinc/42/61/29/345426129.db2.gz FHGMVDNNKMXXSW-MRVPVSSYSA-N 0 0 199.294 1.404 10 0 ADAERN C[C@H]1CN(Cc2cc[nH]c2)CCO1 306550811 345426134 /nfs/dbraw/zinc/42/61/34/345426134.db2.gz HKUOHGRHEGGUPR-VIFPVBQESA-N 0 0 180.251 1.235 10 0 ADAERN COc1cc(N[C@H](C)CO)ccc1F 306550787 345426151 /nfs/dbraw/zinc/42/61/51/345426151.db2.gz ZSLMPJNGUOUJDC-SSDOTTSWSA-N 0 0 199.225 1.627 10 0 ADAERN Cc1nc(CN2CC(C)C2)cs1 306550245 345426156 /nfs/dbraw/zinc/42/61/56/345426156.db2.gz VHEZWOZFJHDKBA-UHFFFAOYSA-N 0 0 182.292 1.903 10 0 ADAERN C[C@@]1([C@@H]2CNC(=O)O2)CCCS1 306550790 345426164 /nfs/dbraw/zinc/42/61/64/345426164.db2.gz HHTJPEFMXWBESK-XPUUQOCRSA-N 0 0 187.264 1.381 10 0 ADAERN Oc1ccc2c(c1)OC[C@H]2NCCF 306550661 345426171 /nfs/dbraw/zinc/42/61/71/345426171.db2.gz ZJCDCQKEYVHDDA-SECBINFHSA-N 0 0 197.209 1.385 10 0 ADAERN O=[S@](c1ccccc1)N1CCCO1 306550263 345426213 /nfs/dbraw/zinc/42/62/13/345426213.db2.gz CIOSLTILRQFIBN-CYBMUJFWSA-N 0 0 197.259 1.347 10 0 ADAERN OCc1cnc(NCC2CC2)s1 306550585 345426219 /nfs/dbraw/zinc/42/62/19/345426219.db2.gz FJQDNKSPPIEOOR-UHFFFAOYSA-N 0 0 184.264 1.457 10 0 ADAERN CC(C)[C@H](C)[C@]1(CO)CCCO1 306551303 345426336 /nfs/dbraw/zinc/42/63/36/345426336.db2.gz AOZJBQKTYWNBFP-VHSXEESVSA-N 0 0 172.268 1.820 10 0 ADAERN C[C@@H](O)C[N@@H+]1CCCC[C@@H](F)C1 306551186 345426408 /nfs/dbraw/zinc/42/64/08/345426408.db2.gz WVCALZYDXJXBNZ-RKDXNWHRSA-N 0 0 175.247 1.191 10 0 ADAERN CC1CC(NC(=O)C2=CCCO2)C1 306551263 345426430 /nfs/dbraw/zinc/42/64/30/345426430.db2.gz ANWJJTSNDSWEJG-UHFFFAOYSA-N 0 0 181.235 1.205 10 0 ADAERN Cc1cnoc1C(=O)N(C)C(C)C 306551147 345426557 /nfs/dbraw/zinc/42/65/57/345426557.db2.gz ZTTWEXSNLLDHMP-UHFFFAOYSA-N 0 0 182.223 1.463 10 0 ADAERN CC1(C)C[C@H]1C(=O)NC1CC=CC1 306551123 345426588 /nfs/dbraw/zinc/42/65/88/345426588.db2.gz ZSOHTGRLHZTKRT-VIFPVBQESA-N 0 0 179.263 1.867 10 0 ADAERN CC(C)[C@H](C)[C@@]1(CO)CCCO1 306551300 345426594 /nfs/dbraw/zinc/42/65/94/345426594.db2.gz AOZJBQKTYWNBFP-UWVGGRQHSA-N 0 0 172.268 1.820 10 0 ADAERN CC1(C)CC(C(=O)N2CCCO2)C1 306550866 345426699 /nfs/dbraw/zinc/42/66/99/345426699.db2.gz HRSAQDXPMLGNJS-UHFFFAOYSA-N 0 0 183.251 1.587 10 0 ADAERN CC(C)[C@@H](C)[C@@]1(CO)CCCO1 306551304 345426702 /nfs/dbraw/zinc/42/67/02/345426702.db2.gz AOZJBQKTYWNBFP-ZJUUUORDSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cnc(NCc2cnn(C)c2)o1 306551180 345426735 /nfs/dbraw/zinc/42/67/35/345426735.db2.gz ZVBOURRBHSUFSG-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN CC(C)[C@@H](C)[C@]1(CO)CCCO1 306551296 345426750 /nfs/dbraw/zinc/42/67/50/345426750.db2.gz AOZJBQKTYWNBFP-NXEZZACHSA-N 0 0 172.268 1.820 10 0 ADAERN CCN1C(=O)CN[C@]12CCCC[C@@H]2C 306551633 345426907 /nfs/dbraw/zinc/42/69/07/345426907.db2.gz GAXGIJZMFWRNJM-GXSJLCMTSA-N 0 0 196.294 1.345 10 0 ADAERN COC(=O)[C@H](O)C1(C)CCCC1 306551580 345426994 /nfs/dbraw/zinc/42/69/94/345426994.db2.gz JVDNRAGAODCZEL-ZETCQYMHSA-N 0 0 172.224 1.101 10 0 ADAERN Cc1nc(NC(=O)NC(C)C)cs1 306551397 345427045 /nfs/dbraw/zinc/42/70/45/345427045.db2.gz AGVXONAQLLUZJF-UHFFFAOYSA-N 0 0 199.279 1.981 10 0 ADAERN C[C@H]1C[C@H]1Nc1cncc(N(C)C)n1 306551699 345427056 /nfs/dbraw/zinc/42/70/56/345427056.db2.gz IFNUSOXRZPWCAP-JGVFFNPUSA-N 0 0 192.266 1.363 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cncc(N(C)C)n1 306551705 345427085 /nfs/dbraw/zinc/42/70/85/345427085.db2.gz IFNUSOXRZPWCAP-YUMQZZPRSA-N 0 0 192.266 1.363 10 0 ADAERN CCN1C(=O)CN[C@@]12CCCC[C@H]2C 306551635 345427150 /nfs/dbraw/zinc/42/71/50/345427150.db2.gz GAXGIJZMFWRNJM-KOLCDFICSA-N 0 0 196.294 1.345 10 0 ADAERN COC(=O)[C@@H](O)C1(C)CCCC1 306551575 345427241 /nfs/dbraw/zinc/42/72/41/345427241.db2.gz JVDNRAGAODCZEL-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN CCN1C(=O)CN[C@@]12CCCC[C@@H]2C 306551639 345427244 /nfs/dbraw/zinc/42/72/44/345427244.db2.gz GAXGIJZMFWRNJM-ONGXEEELSA-N 0 0 196.294 1.345 10 0 ADAERN CCN1C(=O)CN[C@]12CCCC[C@H]2C 306551638 345427264 /nfs/dbraw/zinc/42/72/64/345427264.db2.gz GAXGIJZMFWRNJM-MWLCHTKSSA-N 0 0 196.294 1.345 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cncc(N(C)C)n1 306551696 345427271 /nfs/dbraw/zinc/42/72/71/345427271.db2.gz IFNUSOXRZPWCAP-HTQZYQBOSA-N 0 0 192.266 1.363 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cncc(N(C)C)n1 306551701 345427280 /nfs/dbraw/zinc/42/72/80/345427280.db2.gz IFNUSOXRZPWCAP-SFYZADRCSA-N 0 0 192.266 1.363 10 0 ADAERN C[C@H]1CCC[C@H](N2CCCN2)C1 306551931 345427460 /nfs/dbraw/zinc/42/74/60/345427460.db2.gz CZDLWTVSGYXBMK-UWVGGRQHSA-N 0 0 168.284 1.775 10 0 ADAERN C[C@@H]1CCC[C@@H](N2CCCN2)C1 306551930 345427467 /nfs/dbraw/zinc/42/74/67/345427467.db2.gz CZDLWTVSGYXBMK-NXEZZACHSA-N 0 0 168.284 1.775 10 0 ADAERN C[C@H]1CCC[C@@H](N2CCCN2)C1 306551932 345427474 /nfs/dbraw/zinc/42/74/74/345427474.db2.gz CZDLWTVSGYXBMK-VHSXEESVSA-N 0 0 168.284 1.775 10 0 ADAERN CNc1cc(C)nc(-c2cn[nH]c2)n1 306551959 345427477 /nfs/dbraw/zinc/42/74/77/345427477.db2.gz AUJJUFFMFBDNMH-UHFFFAOYSA-N 0 0 189.222 1.217 10 0 ADAERN O[C@H](CC1=CCCC1)c1cn[nH]n1 306551925 345427480 /nfs/dbraw/zinc/42/74/80/345427480.db2.gz CZBMIIOSWSEQGO-SECBINFHSA-N 0 0 179.223 1.339 10 0 ADAERN CCONC(=O)N1CCCC1(C)C 306552183 345427490 /nfs/dbraw/zinc/42/74/90/345427490.db2.gz AUXSTMWBWNMEJG-UHFFFAOYSA-N 0 0 186.255 1.522 10 0 ADAERN C[C@@H]1CCC[C@H](N2CCCN2)C1 306551933 345427681 /nfs/dbraw/zinc/42/76/81/345427681.db2.gz CZDLWTVSGYXBMK-ZJUUUORDSA-N 0 0 168.284 1.775 10 0 ADAERN Cc1cc(=O)[nH]c(CC2CCC2)n1 306552130 345427710 /nfs/dbraw/zinc/42/77/10/345427710.db2.gz AWECUGGGWMOGED-UHFFFAOYSA-N 0 0 178.235 1.833 10 0 ADAERN O[C@@H](CC1=CCCC1)c1cn[nH]n1 306551928 345427751 /nfs/dbraw/zinc/42/77/51/345427751.db2.gz CZBMIIOSWSEQGO-VIFPVBQESA-N 0 0 179.223 1.339 10 0 ADAERN CC[C@@H](C)S[C@@H]1CCOC1=O 306552450 345428068 /nfs/dbraw/zinc/42/80/68/345428068.db2.gz GJSUHQDEUJWMGL-RNFRBKRXSA-N 0 0 174.265 1.834 10 0 ADAERN O=C(NN1CCCC1)C1CCCC1 306552641 345428124 /nfs/dbraw/zinc/42/81/24/345428124.db2.gz DPXOWXUXKCSGFA-UHFFFAOYSA-N 0 0 182.267 1.304 10 0 ADAERN CC[C@@H](C)S[C@H]1CCOC1=O 306552452 345428139 /nfs/dbraw/zinc/42/81/39/345428139.db2.gz GJSUHQDEUJWMGL-RQJHMYQMSA-N 0 0 174.265 1.834 10 0 ADAERN CC[C@H](C)S[C@H]1CCOC1=O 306552446 345428290 /nfs/dbraw/zinc/42/82/90/345428290.db2.gz GJSUHQDEUJWMGL-BQBZGAKWSA-N 0 0 174.265 1.834 10 0 ADAERN CC[C@H](C)S[C@@H]1CCOC1=O 306552449 345428298 /nfs/dbraw/zinc/42/82/98/345428298.db2.gz GJSUHQDEUJWMGL-NKWVEPMBSA-N 0 0 174.265 1.834 10 0 ADAERN CC[C@]1(C)C[C@@H]1Nc1nc(N)ns1 306553669 345428956 /nfs/dbraw/zinc/42/89/56/345428956.db2.gz DPLQVKJAGHNXME-YLWLKBPMSA-N 0 0 198.295 1.721 10 0 ADAERN CC(C)Cc1cc(=O)[nH]nc1C1CC1 306553510 345428966 /nfs/dbraw/zinc/42/89/66/345428966.db2.gz BIDKRANLXGCXBX-UHFFFAOYSA-N 0 0 192.262 1.846 10 0 ADAERN CC[C@]1(C)C[C@H]1Nc1nc(N)ns1 306553666 345428994 /nfs/dbraw/zinc/42/89/94/345428994.db2.gz DPLQVKJAGHNXME-SVGQVSJJSA-N 0 0 198.295 1.721 10 0 ADAERN CC[C@@]1(C)C[C@H]1Nc1nc(N)ns1 306553668 345428999 /nfs/dbraw/zinc/42/89/99/345428999.db2.gz DPLQVKJAGHNXME-XRGYYRRGSA-N 0 0 198.295 1.721 10 0 ADAERN CC[C@@]1(C)C[C@@H]1Nc1nc(N)ns1 306553667 345429010 /nfs/dbraw/zinc/42/90/10/345429010.db2.gz DPLQVKJAGHNXME-XNCJUZBTSA-N 0 0 198.295 1.721 10 0 ADAERN CNc1ncc(-c2cn(C)cn2)s1 306553757 345429037 /nfs/dbraw/zinc/42/90/37/345429037.db2.gz GXMZFEOEUZJFLO-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCSC1 306554121 345429409 /nfs/dbraw/zinc/42/94/09/345429409.db2.gz BXRQDJBTRDNFBM-YIZRAAEISA-N 0 0 199.319 1.606 10 0 ADAERN CC/C=C/C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306554289 345429574 /nfs/dbraw/zinc/42/95/74/345429574.db2.gz FGUGBXHLMHWQTG-OXFZYVKQSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@H]1C[C@@H]1NC(=S)NC1CCC1 306554258 345429609 /nfs/dbraw/zinc/42/96/09/345429609.db2.gz FBTLYYJXGIWUPV-XPUUQOCRSA-N 0 0 184.308 1.411 10 0 ADAERN FCCCNc1nc2ccccn2n1 306553919 345429647 /nfs/dbraw/zinc/42/96/47/345429647.db2.gz KZCPBDOTHOEZKR-UHFFFAOYSA-N 0 0 194.213 1.501 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=S)NC1CCC1 306554257 345429652 /nfs/dbraw/zinc/42/96/52/345429652.db2.gz FBTLYYJXGIWUPV-SVRRBLITSA-N 0 0 184.308 1.411 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CCSC1 306554120 345429662 /nfs/dbraw/zinc/42/96/62/345429662.db2.gz BXRQDJBTRDNFBM-CIUDSAMLSA-N 0 0 199.319 1.606 10 0 ADAERN CNC(=O)Nc1c(C)cccc1O 306554266 345429700 /nfs/dbraw/zinc/42/97/00/345429700.db2.gz FCIIKQNOKFDTHU-UHFFFAOYSA-N 0 0 180.207 1.452 10 0 ADAERN C[C@@H]1C[C@H]1NC(=S)NC1CCC1 306554254 345429716 /nfs/dbraw/zinc/42/97/16/345429716.db2.gz FBTLYYJXGIWUPV-HTRCEHHLSA-N 0 0 184.308 1.411 10 0 ADAERN C[C@H]1C[C@H]1NC(=S)NC1CCC1 306554256 345429777 /nfs/dbraw/zinc/42/97/77/345429777.db2.gz FBTLYYJXGIWUPV-POYBYMJQSA-N 0 0 184.308 1.411 10 0 ADAERN CNC(=O)[C@H]1CCCC1(F)F 306554397 345430064 /nfs/dbraw/zinc/43/00/64/345430064.db2.gz BSFIAOMSZVKARO-RXMQYKEDSA-N 0 0 163.167 1.168 10 0 ADAERN CNC(=O)[C@@H]1CCCC1(F)F 306554398 345430200 /nfs/dbraw/zinc/43/02/00/345430200.db2.gz BSFIAOMSZVKARO-YFKPBYRVSA-N 0 0 163.167 1.168 10 0 ADAERN FCCNc1cccc(F)n1 306554334 345430227 /nfs/dbraw/zinc/43/02/27/345430227.db2.gz BNCFTROYXATTND-UHFFFAOYSA-N 0 0 158.151 1.602 10 0 ADAERN CC[C@@H]1C[C@H]1c1n[nH]c(C)n1 306554844 345430591 /nfs/dbraw/zinc/43/05/91/345430591.db2.gz CDAALZJGIUZPHG-RNFRBKRXSA-N 0 0 151.213 1.627 10 0 ADAERN Cn1ccc(CNc2cnccn2)c1 306554852 345430604 /nfs/dbraw/zinc/43/06/04/345430604.db2.gz CDQUDPFVWMFHFM-UHFFFAOYSA-N 0 0 188.234 1.427 10 0 ADAERN Cc1ccc2c(n1)NCC(F)(F)CN2 306554890 345430642 /nfs/dbraw/zinc/43/06/42/345430642.db2.gz CHOXEYVBXMGAKQ-UHFFFAOYSA-N 0 0 199.204 1.863 10 0 ADAERN CC(C)Nc1cccc2c1C[C@@H](O)C2 306555662 345431087 /nfs/dbraw/zinc/43/10/87/345431087.db2.gz HUXRGPFRHAHVBC-JTQLQIEISA-N 0 0 191.274 1.966 10 0 ADAERN CC(C)Nc1cccc2c1C[C@H](O)C2 306555663 345431103 /nfs/dbraw/zinc/43/11/03/345431103.db2.gz HUXRGPFRHAHVBC-SNVBAGLBSA-N 0 0 191.274 1.966 10 0 ADAERN O=C([O-])CC[NH+]1C[C@@H]2CC=CC[C@H]2C1 306555411 345431200 /nfs/dbraw/zinc/43/12/00/345431200.db2.gz LSLYFRYYJBCGQC-UWVGGRQHSA-N 0 0 195.262 1.359 10 0 ADAERN CN(c1ncc(F)c(N)n1)C1CCC1 306555544 345431230 /nfs/dbraw/zinc/43/12/30/345431230.db2.gz HOXMFRHGOYPHTR-UHFFFAOYSA-N 0 0 196.229 1.187 10 0 ADAERN O=C([O-])CC[NH+]1C[C@H]2CC=CC[C@@H]2C1 306555409 345431242 /nfs/dbraw/zinc/43/12/42/345431242.db2.gz LSLYFRYYJBCGQC-NXEZZACHSA-N 0 0 195.262 1.359 10 0 ADAERN Cc1noc(-c2cc(C)[nH]c2C)n1 306556101 345431522 /nfs/dbraw/zinc/43/15/22/345431522.db2.gz GDKQVZNBOUCZTF-UHFFFAOYSA-N 0 0 177.207 1.990 10 0 ADAERN O=C(c1ncc[nH]1)c1ccns1 306556001 345431527 /nfs/dbraw/zinc/43/15/27/345431527.db2.gz FRIOCXFFOCVYJA-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN CC(=O)c1ccc(F)cc1NCCO 306556394 345431586 /nfs/dbraw/zinc/43/15/86/345431586.db2.gz IFPPMSPEYJFCDH-UHFFFAOYSA-N 0 0 197.209 1.433 10 0 ADAERN OC[C@]1(CC2=CCCC2)CCOC1 306555936 345431591 /nfs/dbraw/zinc/43/15/91/345431591.db2.gz FNCLNXHKYAOSCL-LLVKDONJSA-N 0 0 182.263 1.886 10 0 ADAERN OC[C@@]1(CC2=CCCC2)CCOC1 306555937 345431695 /nfs/dbraw/zinc/43/16/95/345431695.db2.gz FNCLNXHKYAOSCL-NSHDSACASA-N 0 0 182.263 1.886 10 0 ADAERN C[C@H](CC(C)(C)C)N1CCNCC1=O 306556487 345431697 /nfs/dbraw/zinc/43/16/97/345431697.db2.gz MPFMJDFYPHEBEO-SECBINFHSA-N 0 0 198.310 1.243 10 0 ADAERN COc1cc(C)cc(C(N)=O)c1C 306556143 345431820 /nfs/dbraw/zinc/43/18/20/345431820.db2.gz MMSJFAXGXQNHJI-UHFFFAOYSA-N 0 0 179.219 1.411 10 0 ADAERN CC(C)(C)NC(=O)c1cc(N)cs1 306556976 345432017 /nfs/dbraw/zinc/43/20/17/345432017.db2.gz MXWHLNLZNJHOQA-UHFFFAOYSA-N 0 0 198.291 1.859 10 0 ADAERN C[C@@]1(CNc2cccnn2)CCOC1 306556931 345432091 /nfs/dbraw/zinc/43/20/91/345432091.db2.gz ISZJALCPDVFYJF-JTQLQIEISA-N 0 0 193.250 1.315 10 0 ADAERN C[C@@H](CC(C)(C)C)N1CCNCC1=O 306556489 345432109 /nfs/dbraw/zinc/43/21/09/345432109.db2.gz MPFMJDFYPHEBEO-VIFPVBQESA-N 0 0 198.310 1.243 10 0 ADAERN C[C@]1(CNc2cccnn2)CCOC1 306556932 345432236 /nfs/dbraw/zinc/43/22/36/345432236.db2.gz ISZJALCPDVFYJF-SNVBAGLBSA-N 0 0 193.250 1.315 10 0 ADAERN Cn1c(C2CCCCC2)noc1=O 306556700 345432280 /nfs/dbraw/zinc/43/22/80/345432280.db2.gz GNFZIJXMQKNIFZ-UHFFFAOYSA-N 0 0 182.223 1.421 10 0 ADAERN CNC(=O)/C=C/c1cnccc1C 306556763 345432301 /nfs/dbraw/zinc/43/23/01/345432301.db2.gz GUBKHBQMQVAEJG-ONEGZZNKSA-N 0 0 176.219 1.149 10 0 ADAERN Cc1nc(NC(=O)NC2CC2)cs1 306556754 345432457 /nfs/dbraw/zinc/43/24/57/345432457.db2.gz GTKCBZNAAFTTGX-UHFFFAOYSA-N 0 0 197.263 1.735 10 0 ADAERN Fc1ccc(NCc2cocn2)cn1 306557473 345432742 /nfs/dbraw/zinc/43/27/42/345432742.db2.gz JEUNRZSNIYAUGH-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN C[C@@H]1CCC[C@H]1[C@@H](NN)c1ccc[nH]1 306557579 345432745 /nfs/dbraw/zinc/43/27/45/345432745.db2.gz NYUQCTPWUYHEJO-FXPVBKGRSA-N 0 0 193.294 1.955 10 0 ADAERN COC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 306557122 345432816 /nfs/dbraw/zinc/43/28/16/345432816.db2.gz MWKGJLPMJYQUCN-XLPZGREQSA-N 0 0 169.224 1.531 10 0 ADAERN C[C@@H]1CCC[C@@H]1[C@@H](NN)c1ccc[nH]1 306557581 345432825 /nfs/dbraw/zinc/43/28/25/345432825.db2.gz NYUQCTPWUYHEJO-WCABBAIRSA-N 0 0 193.294 1.955 10 0 ADAERN Cc1cc(C(C)(C)O)sn1 306557196 345432842 /nfs/dbraw/zinc/43/28/42/345432842.db2.gz NOHZKHHSIBNTDE-UHFFFAOYSA-N 0 0 157.238 1.679 10 0 ADAERN C[C@@H]1CCC[C@H]1[C@H](NN)c1ccc[nH]1 306557580 345432910 /nfs/dbraw/zinc/43/29/10/345432910.db2.gz NYUQCTPWUYHEJO-KKZNHRDASA-N 0 0 193.294 1.955 10 0 ADAERN C[C@@H](CO)Nc1cc(F)ccn1 306557123 345432930 /nfs/dbraw/zinc/43/29/30/345432930.db2.gz MWVUBGVEEWOYHB-LURJTMIESA-N 0 0 170.187 1.013 10 0 ADAERN C[C@@H]1CCC[C@@H]1[C@H](NN)c1ccc[nH]1 306557582 345432977 /nfs/dbraw/zinc/43/29/77/345432977.db2.gz NYUQCTPWUYHEJO-YWVKMMECSA-N 0 0 193.294 1.955 10 0 ADAERN C[C@H](CO)Nc1cc(F)ccn1 306557124 345433000 /nfs/dbraw/zinc/43/30/00/345433000.db2.gz MWVUBGVEEWOYHB-ZCFIWIBFSA-N 0 0 170.187 1.013 10 0 ADAERN CNC(=O)N1CC2CCC1CC2 306557505 345433010 /nfs/dbraw/zinc/43/30/10/345433010.db2.gz HLQPMPOQCFQNRL-UHFFFAOYSA-N 0 0 168.240 1.200 10 0 ADAERN CCC1(C)CN([C@H](C)C(C)=O)C1 306557961 345433495 /nfs/dbraw/zinc/43/34/95/345433495.db2.gz OMOWBQQLFMTFPI-MRVPVSSYSA-N 0 0 169.268 1.696 10 0 ADAERN C[C@@H](N[C@H]1CCCOC1)c1ccon1 306557838 345433345 /nfs/dbraw/zinc/43/33/45/345433345.db2.gz JOIQTOBDPGKREF-BDAKNGLRSA-N 0 0 196.250 1.504 10 0 ADAERN CCC1(C)CN([C@@H](C)C(C)=O)C1 306557962 345433351 /nfs/dbraw/zinc/43/33/51/345433351.db2.gz OMOWBQQLFMTFPI-QMMMGPOBSA-N 0 0 169.268 1.696 10 0 ADAERN CCNc1cc([C@H]2CCCO2)[nH]n1 306557947 345433360 /nfs/dbraw/zinc/43/33/60/345433360.db2.gz OLLHSNZBWOBAMZ-MRVPVSSYSA-N 0 0 181.239 1.693 10 0 ADAERN C[C@H](N[C@H]1CCCOC1)c1ccon1 306557840 345433383 /nfs/dbraw/zinc/43/33/83/345433383.db2.gz JOIQTOBDPGKREF-IUCAKERBSA-N 0 0 196.250 1.504 10 0 ADAERN C[C@H](N[C@@H]1CCCOC1)c1ccon1 306557839 345433398 /nfs/dbraw/zinc/43/33/98/345433398.db2.gz JOIQTOBDPGKREF-DTWKUNHWSA-N 0 0 196.250 1.504 10 0 ADAERN C[C@@H](N[C@@H]1CCCOC1)c1ccon1 306557841 345433410 /nfs/dbraw/zinc/43/34/10/345433410.db2.gz JOIQTOBDPGKREF-RKDXNWHRSA-N 0 0 196.250 1.504 10 0 ADAERN CS[C@@H]1CCC[C@]1(C)O 306558009 345433420 /nfs/dbraw/zinc/43/34/20/345433420.db2.gz NVZRHIYJJFJAIX-RQJHMYQMSA-N 0 0 146.255 1.653 10 0 ADAERN CCNc1cc([C@@H]2CCCO2)[nH]n1 306557948 345433462 /nfs/dbraw/zinc/43/34/62/345433462.db2.gz OLLHSNZBWOBAMZ-QMMMGPOBSA-N 0 0 181.239 1.693 10 0 ADAERN CS[C@H]1CCC[C@@]1(C)O 306558007 345433504 /nfs/dbraw/zinc/43/35/04/345433504.db2.gz NVZRHIYJJFJAIX-NKWVEPMBSA-N 0 0 146.255 1.653 10 0 ADAERN CS[C@H]1CCC[C@]1(C)O 306558006 345433540 /nfs/dbraw/zinc/43/35/40/345433540.db2.gz NVZRHIYJJFJAIX-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN CCC(CC)N1C(=O)N[C@H](C)C1=O 306558002 345433554 /nfs/dbraw/zinc/43/35/54/345433554.db2.gz NVELBTLXSCRCTC-ZCFIWIBFSA-N 0 0 184.239 1.115 10 0 ADAERN CS[C@@H]1CCC[C@@]1(C)O 306558008 345433645 /nfs/dbraw/zinc/43/36/45/345433645.db2.gz NVZRHIYJJFJAIX-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN COc1nccc([C@@H](O)C(C)C)c1F 306558213 345433791 /nfs/dbraw/zinc/43/37/91/345433791.db2.gz OTOAOHCYAATVPP-VIFPVBQESA-N 0 0 199.225 1.919 10 0 ADAERN CNc1nccc([C@@H]2CCCO2)n1 306558064 345433816 /nfs/dbraw/zinc/43/38/16/345433816.db2.gz OCNBORGUAGJCMA-QMMMGPOBSA-N 0 0 179.223 1.370 10 0 ADAERN COc1nccc([C@H](O)C(C)C)c1F 306558212 345433933 /nfs/dbraw/zinc/43/39/33/345433933.db2.gz OTOAOHCYAATVPP-SECBINFHSA-N 0 0 199.225 1.919 10 0 ADAERN CCC1(C)CN(c2ccc(N)nc2)C1 306558282 345434021 /nfs/dbraw/zinc/43/40/21/345434021.db2.gz PBHLCXQLVWDEDM-UHFFFAOYSA-N 0 0 191.278 1.900 10 0 ADAERN CNc1nccc([C@H]2CCCO2)n1 306558063 345434161 /nfs/dbraw/zinc/43/41/61/345434161.db2.gz OCNBORGUAGJCMA-MRVPVSSYSA-N 0 0 179.223 1.370 10 0 ADAERN CC[NH2+][C@H](C)c1ccon1 306558585 345434394 /nfs/dbraw/zinc/43/43/94/345434394.db2.gz KRCFWEWQDYVPNI-ZCFIWIBFSA-N 0 0 140.186 1.345 10 0 ADAERN Nc1cccc(C(=O)NC2CC2)c1F 306558416 345434224 /nfs/dbraw/zinc/43/42/24/345434224.db2.gz PFBNFEWXKJOODN-UHFFFAOYSA-N 0 0 194.209 1.300 10 0 ADAERN CCn1c(N)nc2cncc(Cl)c21 306558708 345434559 /nfs/dbraw/zinc/43/45/59/345434559.db2.gz OYNIBJBAJJMLLM-UHFFFAOYSA-N 0 0 196.641 1.687 10 0 ADAERN CC1(C(=O)Nc2ncc[nH]2)CC1 306558917 345434564 /nfs/dbraw/zinc/43/45/64/345434564.db2.gz KYBBMEMNGHHFGP-UHFFFAOYSA-N 0 0 165.196 1.148 10 0 ADAERN C[C@@H]1CCCN1Cn1cc(Cl)cn1 306558989 345434574 /nfs/dbraw/zinc/43/45/74/345434574.db2.gz ABYLSAKTTUIIKI-MRVPVSSYSA-N 0 0 199.685 1.978 10 0 ADAERN CC[NH2+][C@@H](C)c1ccon1 306558584 345434597 /nfs/dbraw/zinc/43/45/97/345434597.db2.gz KRCFWEWQDYVPNI-LURJTMIESA-N 0 0 140.186 1.345 10 0 ADAERN C[C@H]1CCCN1Cn1cc(Cl)cn1 306558990 345434657 /nfs/dbraw/zinc/43/46/57/345434657.db2.gz ABYLSAKTTUIIKI-QMMMGPOBSA-N 0 0 199.685 1.978 10 0 ADAERN NC(=O)c1n[nH]c(C2CC2)c1Cl 306558476 345434669 /nfs/dbraw/zinc/43/46/69/345434669.db2.gz PITDISLCCVUIFT-UHFFFAOYSA-N 0 0 185.614 1.039 10 0 ADAERN COc1cc(Br)n(C)n1 306558678 345434758 /nfs/dbraw/zinc/43/47/58/345434758.db2.gz OWRBGKHPDUYOPK-UHFFFAOYSA-N 0 0 191.028 1.191 10 0 ADAERN CCCn1nncc1N1CCCCC1 306558536 345434760 /nfs/dbraw/zinc/43/47/60/345434760.db2.gz KMIVJRMGSNJKCC-UHFFFAOYSA-N 0 0 194.282 1.678 10 0 ADAERN C[C@@H]1CC[C@H]([C@H]2CC[C@H](CO)O2)O1 306559395 345434922 /nfs/dbraw/zinc/43/49/22/345434922.db2.gz LLGXMINGPLQYBL-ZYUZMQFOSA-N 0 0 186.251 1.094 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2CC[C@H](CO)O2)O1 306559392 345434941 /nfs/dbraw/zinc/43/49/41/345434941.db2.gz LLGXMINGPLQYBL-KYXWUPHJSA-N 0 0 186.251 1.094 10 0 ADAERN CC[S@](=O)Nc1cc(N)ccc1C 306559104 345434949 /nfs/dbraw/zinc/43/49/49/345434949.db2.gz QBTIMTSQDUWYAQ-ZDUSSCGKSA-N 0 0 198.291 1.673 10 0 ADAERN C[C@@H]1CC[C@H]([C@H]2CC[C@@H](CO)O2)O1 306559394 345435016 /nfs/dbraw/zinc/43/50/16/345435016.db2.gz LLGXMINGPLQYBL-UTINFBMNSA-N 0 0 186.251 1.094 10 0 ADAERN C[C@H]1CN(CC2(F)CC2)C[C@H](C)O1 306559277 345435066 /nfs/dbraw/zinc/43/50/66/345435066.db2.gz PWKLMYVBNGWFDH-IUCAKERBSA-N 0 0 187.258 1.598 10 0 ADAERN C[C@@H]1CN(CC2(F)CC2)C[C@@H](C)O1 306559278 345435082 /nfs/dbraw/zinc/43/50/82/345435082.db2.gz PWKLMYVBNGWFDH-RKDXNWHRSA-N 0 0 187.258 1.598 10 0 ADAERN Cc1c(CCC2CC2)noc1N 306559460 345435109 /nfs/dbraw/zinc/43/51/09/345435109.db2.gz AKFWQOOEDWZDNQ-UHFFFAOYSA-N 0 0 166.224 1.908 10 0 ADAERN CC[S@@](=O)Nc1cc(N)ccc1C 306559103 345435113 /nfs/dbraw/zinc/43/51/13/345435113.db2.gz QBTIMTSQDUWYAQ-CYBMUJFWSA-N 0 0 198.291 1.673 10 0 ADAERN Cc1nnc(Cl)n1Cc1cocn1 306559491 345435226 /nfs/dbraw/zinc/43/52/26/345435226.db2.gz ALIWIEKCHQGXKU-UHFFFAOYSA-N 0 0 198.613 1.276 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CO)O2)O1 306559393 345435259 /nfs/dbraw/zinc/43/52/59/345435259.db2.gz LLGXMINGPLQYBL-RGOKHQFPSA-N 0 0 186.251 1.094 10 0 ADAERN O=C(C=C1CCCC1)c1nc[nH]n1 306559501 345435309 /nfs/dbraw/zinc/43/53/09/345435309.db2.gz AMLDZUYHWZYFEE-UHFFFAOYSA-N 0 0 177.207 1.488 10 0 ADAERN C[C@H]1CN(CC2(F)CC2)C[C@@H](C)O1 306559276 345435381 /nfs/dbraw/zinc/43/53/81/345435381.db2.gz PWKLMYVBNGWFDH-DTORHVGOSA-N 0 0 187.258 1.598 10 0 ADAERN CONC(=O)Nc1cccc(C)n1 306559275 345435403 /nfs/dbraw/zinc/43/54/03/345435403.db2.gz PUWJXTPHEAWGPY-UHFFFAOYSA-N 0 0 181.195 1.073 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)c1cnsn1 306559916 345435535 /nfs/dbraw/zinc/43/55/35/345435535.db2.gz MBKUIKSRPIBNDF-WDSKDSINSA-N 0 0 197.263 1.161 10 0 ADAERN CC1=CC(=O)N([C@H]2C[C@@H]3C[C@@H]3C2)C1=O 306559707 345435759 /nfs/dbraw/zinc/43/57/59/345435759.db2.gz AQMHSAZUJNDPEN-AYMMMOKOSA-N 0 0 191.230 1.100 10 0 ADAERN C/C=C/C(=O)NC1CCC(F)CC1 306559681 345435790 /nfs/dbraw/zinc/43/57/90/345435790.db2.gz QHMUCNQMJOSUMC-NSCUHMNNSA-N 0 0 185.242 1.959 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)c1cnsn1 306559914 345435836 /nfs/dbraw/zinc/43/58/36/345435836.db2.gz MBKUIKSRPIBNDF-OLQVQODUSA-N 0 0 197.263 1.161 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cnsn1 306559915 345435911 /nfs/dbraw/zinc/43/59/11/345435911.db2.gz MBKUIKSRPIBNDF-PHDIDXHHSA-N 0 0 197.263 1.161 10 0 ADAERN C[C@@H]1CC[C@@H](CNc2cccnn2)O1 306560096 345436157 /nfs/dbraw/zinc/43/61/57/345436157.db2.gz AZLRZHQSTUSDMX-BDAKNGLRSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H]1CC[C@H](CNc2cccnn2)O1 306560099 345436173 /nfs/dbraw/zinc/43/61/73/345436173.db2.gz AZLRZHQSTUSDMX-RKDXNWHRSA-N 0 0 193.250 1.456 10 0 ADAERN C/C(=C\C[N@@H+]1CCC2(CC2)C1)C(=O)[O-] 306560108 345436203 /nfs/dbraw/zinc/43/62/03/345436203.db2.gz AZWXMZYZLJBWRB-XNWCZRBMSA-N 0 0 195.262 1.503 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)[C@H]1CCCO1 306560335 345436221 /nfs/dbraw/zinc/43/62/21/345436221.db2.gz MGNYBILRGCXKAO-RKDXNWHRSA-N 0 0 195.266 1.400 10 0 ADAERN Cc1cnnc(NCc2cocn2)c1 306560068 345436233 /nfs/dbraw/zinc/43/62/33/345436233.db2.gz AXQSCYHTOBGJQL-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN C[C@H]1CC[C@@H](CNc2cccnn2)O1 306560098 345436261 /nfs/dbraw/zinc/43/62/61/345436261.db2.gz AZLRZHQSTUSDMX-IUCAKERBSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)[C@@H]1CCCO1 306560327 345436308 /nfs/dbraw/zinc/43/63/08/345436308.db2.gz MGNYBILRGCXKAO-BDAKNGLRSA-N 0 0 195.266 1.400 10 0 ADAERN C[C@H](Nc1ccn(C)n1)[C@H]1CCCO1 306560330 345436315 /nfs/dbraw/zinc/43/63/15/345436315.db2.gz MGNYBILRGCXKAO-DTWKUNHWSA-N 0 0 195.266 1.400 10 0 ADAERN C[C@H]1CC[C@H](CNc2cccnn2)O1 306560097 345436336 /nfs/dbraw/zinc/43/63/36/345436336.db2.gz AZLRZHQSTUSDMX-DTWKUNHWSA-N 0 0 193.250 1.456 10 0 ADAERN C[C@H](Nc1ccn(C)n1)[C@@H]1CCCO1 306560333 345436363 /nfs/dbraw/zinc/43/63/63/345436363.db2.gz MGNYBILRGCXKAO-IUCAKERBSA-N 0 0 195.266 1.400 10 0 ADAERN O=C(NC1CC1)C1(C(F)(F)F)CC1 306560140 345436389 /nfs/dbraw/zinc/43/63/89/345436389.db2.gz QULVTJPKPHFZCF-UHFFFAOYSA-N 0 0 193.168 1.608 10 0 ADAERN C[C@@H](CO)N[C@H]1CCCC1(F)F 306560516 345436533 /nfs/dbraw/zinc/43/65/33/345436533.db2.gz BFFXHDKHBQPUMX-BQBZGAKWSA-N 0 0 179.210 1.145 10 0 ADAERN C[C@@H](CO)N[C@@H]1CCCC1(F)F 306560517 345436646 /nfs/dbraw/zinc/43/66/46/345436646.db2.gz BFFXHDKHBQPUMX-NKWVEPMBSA-N 0 0 179.210 1.145 10 0 ADAERN C[C@H](CO)N[C@H]1CCCC1(F)F 306560519 345436672 /nfs/dbraw/zinc/43/66/72/345436672.db2.gz BFFXHDKHBQPUMX-RQJHMYQMSA-N 0 0 179.210 1.145 10 0 ADAERN O=Cc1ccn(C[C@@H]2CCOC2)c1 306560488 345436716 /nfs/dbraw/zinc/43/67/16/345436716.db2.gz BDQMQKYRXIQURM-JTQLQIEISA-N 0 0 179.219 1.337 10 0 ADAERN Nc1c(Cl)cnn1C1CSC1 306560841 345436725 /nfs/dbraw/zinc/43/67/25/345436725.db2.gz BLIZZWJDEPLIMF-UHFFFAOYSA-N 0 0 189.671 1.407 10 0 ADAERN O=Cc1ccn(C[C@H]2CCOC2)c1 306560489 345436743 /nfs/dbraw/zinc/43/67/43/345436743.db2.gz BDQMQKYRXIQURM-SNVBAGLBSA-N 0 0 179.219 1.337 10 0 ADAERN C[C@H](CO)N[C@@H]1CCCC1(F)F 306560518 345436847 /nfs/dbraw/zinc/43/68/47/345436847.db2.gz BFFXHDKHBQPUMX-RNFRBKRXSA-N 0 0 179.210 1.145 10 0 ADAERN O=C(c1ccsn1)c1ccco1 306560993 345437079 /nfs/dbraw/zinc/43/70/79/345437079.db2.gz SIOQSJOQFQQBKG-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN Cn1nccc1C(=O)c1ccsn1 306561303 345437123 /nfs/dbraw/zinc/43/71/23/345437123.db2.gz SRBUQQQVJSDLOC-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN O=C1CO[C@@H](CC2CCCC2)CN1 306561320 345437127 /nfs/dbraw/zinc/43/71/27/345437127.db2.gz STFDOIWIAQJQJB-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN CC1CN(C(=O)NC2CCCC2)C1 306561426 345437210 /nfs/dbraw/zinc/43/72/10/345437210.db2.gz SKCVJHDFJQYQAP-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN O=C1CO[C@H](CC2CCCC2)CN1 306561319 345437280 /nfs/dbraw/zinc/43/72/80/345437280.db2.gz STFDOIWIAQJQJB-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN CCc1ccc(N)c(-c2ncno2)c1 306561669 345437627 /nfs/dbraw/zinc/43/76/27/345437627.db2.gz NKUWKLBQYGTHHZ-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN COc1cnc(C2(C)CC2)nc1N 306562072 345437639 /nfs/dbraw/zinc/43/76/39/345437639.db2.gz UFHKFEGMUHOAJL-UHFFFAOYSA-N 0 0 179.223 1.119 10 0 ADAERN C/C=C/CSc1n[nH]c(C)n1 306561874 345437695 /nfs/dbraw/zinc/43/76/95/345437695.db2.gz TUGPYGOMQZUGIX-ONEGZZNKSA-N 0 0 169.253 1.781 10 0 ADAERN CCCSc1ccncn1 306562042 345437704 /nfs/dbraw/zinc/43/77/04/345437704.db2.gz UCGLNRYXCMTYEX-UHFFFAOYSA-N 0 0 154.238 1.979 10 0 ADAERN CC1CN(C(=O)C2=CCCC2)C1 306561488 345437707 /nfs/dbraw/zinc/43/77/07/345437707.db2.gz SMKPYSIFBDASLR-UHFFFAOYSA-N 0 0 165.236 1.575 10 0 ADAERN [NH3+][C@@H](CC1CCCC1)c1ncon1 306561616 345437786 /nfs/dbraw/zinc/43/77/86/345437786.db2.gz TTZSYSANZIEGSD-QMMMGPOBSA-N 0 0 181.239 1.650 10 0 ADAERN c1nsc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 306561774 345437808 /nfs/dbraw/zinc/43/78/08/345437808.db2.gz BYTHODDHJDQBEQ-KVSKUHBBSA-N 0 0 181.264 1.749 10 0 ADAERN [NH3+][C@H](CC1CCCC1)c1ncon1 306561615 345437830 /nfs/dbraw/zinc/43/78/30/345437830.db2.gz TTZSYSANZIEGSD-MRVPVSSYSA-N 0 0 181.239 1.650 10 0 ADAERN CCON(C)c1ccc(F)cc1N 306561753 345437860 /nfs/dbraw/zinc/43/78/60/345437860.db2.gz BXOULRDILMVSEI-UHFFFAOYSA-N 0 0 184.214 1.796 10 0 ADAERN C/C=C/C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 306562306 345437967 /nfs/dbraw/zinc/43/79/67/345437967.db2.gz CIKBVBPFXFUEPT-QOGBDSRBSA-N 0 0 165.236 1.477 10 0 ADAERN Cc1ccc(-c2nc(O)c[nH]2)nc1 306562300 345438094 /nfs/dbraw/zinc/43/80/94/345438094.db2.gz CHWFYDJPPYBEJR-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN C[C@H]1CC[C@@H]1[N@H+](C)C1(C(=O)[O-])CCC1 306562109 345438134 /nfs/dbraw/zinc/43/81/34/345438134.db2.gz UGJNKRDIUBFTHR-IUCAKERBSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H]1CC[C@H]1[N@H+](C)C1(C(=O)[O-])CCC1 306562110 345438138 /nfs/dbraw/zinc/43/81/38/345438138.db2.gz UGJNKRDIUBFTHR-RKDXNWHRSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H]1CC[C@H]1[N@H+](C)C1(C(=O)[O-])CCC1 306562108 345438169 /nfs/dbraw/zinc/43/81/69/345438169.db2.gz UGJNKRDIUBFTHR-DTWKUNHWSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@H+](C)C1(C(=O)[O-])CCC1 306562107 345438175 /nfs/dbraw/zinc/43/81/75/345438175.db2.gz UGJNKRDIUBFTHR-BDAKNGLRSA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@H]1C[C@@H]1C(=O)Nc1n[nH]c(C)n1 306562194 345438177 /nfs/dbraw/zinc/43/81/77/345438177.db2.gz OCHJLZVUOLBFOX-BQBZGAKWSA-N 0 0 194.238 1.098 10 0 ADAERN CC[C@]1([C@@H]2CC2(C)C)COC(=O)N1 306562756 345438621 /nfs/dbraw/zinc/43/86/21/345438621.db2.gz CQKUHRQXMIOVTP-GMSGAONNSA-N 0 0 183.251 1.921 10 0 ADAERN CC[C@@]1([C@H]2CC2(C)C)COC(=O)N1 306562759 345438454 /nfs/dbraw/zinc/43/84/54/345438454.db2.gz CQKUHRQXMIOVTP-XVKPBYJWSA-N 0 0 183.251 1.921 10 0 ADAERN CC[C@]1([C@H]2CC2(C)C)COC(=O)N1 306562757 345438573 /nfs/dbraw/zinc/43/85/73/345438573.db2.gz CQKUHRQXMIOVTP-OIBJUYFYSA-N 0 0 183.251 1.921 10 0 ADAERN Cn1cc(C(=O)C(C)(F)F)cn1 306562762 345438759 /nfs/dbraw/zinc/43/87/59/345438759.db2.gz CRAZKEIINVADHS-UHFFFAOYSA-N 0 0 174.150 1.258 10 0 ADAERN O[C@@H](c1ccsn1)[C@@H]1CCCO1 306563316 345438788 /nfs/dbraw/zinc/43/87/88/345438788.db2.gz VJYOANDFCWRFRS-YUMQZZPRSA-N 0 0 185.248 1.356 10 0 ADAERN O[C@@H](c1ccsn1)[C@H]1CCCO1 306563315 345438907 /nfs/dbraw/zinc/43/89/07/345438907.db2.gz VJYOANDFCWRFRS-SFYZADRCSA-N 0 0 185.248 1.356 10 0 ADAERN CC(C)=CCCNc1cnc(N)cn1 306563131 345438911 /nfs/dbraw/zinc/43/89/11/345438911.db2.gz CWVDWAVTIUNWOE-UHFFFAOYSA-N 0 0 192.266 1.827 10 0 ADAERN O[C@H](c1ccsn1)[C@H]1CCCO1 306563313 345438924 /nfs/dbraw/zinc/43/89/24/345438924.db2.gz VJYOANDFCWRFRS-HTQZYQBOSA-N 0 0 185.248 1.356 10 0 ADAERN O[C@H](c1ccsn1)[C@@H]1CCCO1 306563314 345439014 /nfs/dbraw/zinc/43/90/14/345439014.db2.gz VJYOANDFCWRFRS-JGVFFNPUSA-N 0 0 185.248 1.356 10 0 ADAERN NC(=CCc1ccccc1F)N=O 306563455 345439419 /nfs/dbraw/zinc/43/94/19/345439419.db2.gz PKAXFAFRMXCZOW-AATRIKPKSA-N 0 0 180.182 1.795 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1ccc[nH]1 306563605 345439421 /nfs/dbraw/zinc/43/94/21/345439421.db2.gz VTVBCIWZIURACN-JGVFFNPUSA-N 0 0 178.235 1.543 10 0 ADAERN CCCC[C@H]1COC(C)(C)[C@@H]1O 306563658 345439461 /nfs/dbraw/zinc/43/94/61/345439461.db2.gz VVYJUNGWBWHILS-DTWKUNHWSA-N 0 0 172.268 1.963 10 0 ADAERN CCCC[C@@H]1COC(C)(C)[C@@H]1O 306563660 345439488 /nfs/dbraw/zinc/43/94/88/345439488.db2.gz VVYJUNGWBWHILS-RKDXNWHRSA-N 0 0 172.268 1.963 10 0 ADAERN O=c1cccc(-c2ccns2)[nH]1 306563536 345439542 /nfs/dbraw/zinc/43/95/42/345439542.db2.gz DGCIWDKPBTWNCL-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN CC[C@@H]1C[C@H]1c1nc(N)ns1 306563520 345439573 /nfs/dbraw/zinc/43/95/73/345439573.db2.gz PLSOZPYQLCUQLJ-RFZPGFLSSA-N 0 0 169.253 1.634 10 0 ADAERN CC(C)(O)[C@H]1CC1(C)C 306563819 345439613 /nfs/dbraw/zinc/43/96/13/345439613.db2.gz DJNMQFQIZBVZOM-LURJTMIESA-N 0 0 128.215 1.803 10 0 ADAERN CCCC[C@@H]1COC(C)(C)[C@H]1O 306563656 345439620 /nfs/dbraw/zinc/43/96/20/345439620.db2.gz VVYJUNGWBWHILS-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1cc(CNc2ccnn2C)[nH]n1 306563709 345439644 /nfs/dbraw/zinc/43/96/44/345439644.db2.gz VYRNQDZPRYZNQC-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN CCCC[C@H]1COC(C)(C)[C@H]1O 306563659 345439675 /nfs/dbraw/zinc/43/96/75/345439675.db2.gz VVYJUNGWBWHILS-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN COc1ccncc1[C@@H]1CCC[C@H]1O 306564038 345439918 /nfs/dbraw/zinc/43/99/18/345439918.db2.gz WGKIZGSECSLZTC-WCBMZHEXSA-N 0 0 193.246 1.719 10 0 ADAERN COc1ccncc1[C@H]1CCC[C@@H]1O 306564037 345439948 /nfs/dbraw/zinc/43/99/48/345439948.db2.gz WGKIZGSECSLZTC-SCZZXKLOSA-N 0 0 193.246 1.719 10 0 ADAERN c1c[nH]c(S[C@H]2CCCO2)n1 306564248 345439965 /nfs/dbraw/zinc/43/99/65/345439965.db2.gz WRIDUELOGCGPPT-LURJTMIESA-N 0 0 170.237 1.638 10 0 ADAERN Cc1ocnc1CN[C@@H]1CCO[C@@H]1C 306564111 345439968 /nfs/dbraw/zinc/43/99/68/345439968.db2.gz DNRDBHKZALGPEM-VXNVDRBHSA-N 0 0 196.250 1.250 10 0 ADAERN FC1CN(c2ccnc(Cl)n2)C1 306564135 345439982 /nfs/dbraw/zinc/43/99/82/345439982.db2.gz DPBXHPOLSPDIKQ-UHFFFAOYSA-N 0 0 187.605 1.288 10 0 ADAERN Cc1ocnc1CN[C@H]1CCO[C@@H]1C 306564108 345440051 /nfs/dbraw/zinc/44/00/51/345440051.db2.gz DNRDBHKZALGPEM-APPZFPTMSA-N 0 0 196.250 1.250 10 0 ADAERN Cn1ncc(-c2ccc(N)cc2F)n1 306563913 345440099 /nfs/dbraw/zinc/44/00/99/345440099.db2.gz PTVJPTSJBHGVFY-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN CCCn1nccc1C1(O)CSC1 306564123 345440102 /nfs/dbraw/zinc/44/01/02/345440102.db2.gz DOJQROIQSKTLRH-UHFFFAOYSA-N 0 0 198.291 1.228 10 0 ADAERN CC(=O)CCc1ccsn1 306564072 345440122 /nfs/dbraw/zinc/44/01/22/345440122.db2.gz WKSUFQAOLWFOMO-UHFFFAOYSA-N 0 0 155.222 1.665 10 0 ADAERN Cc1ocnc1CN[C@H]1CCO[C@H]1C 306564109 345440139 /nfs/dbraw/zinc/44/01/39/345440139.db2.gz DNRDBHKZALGPEM-CBAPKCEASA-N 0 0 196.250 1.250 10 0 ADAERN COc1ccncc1[C@@H]1CCC[C@@H]1O 306564039 345440179 /nfs/dbraw/zinc/44/01/79/345440179.db2.gz WGKIZGSECSLZTC-WPRPVWTQSA-N 0 0 193.246 1.719 10 0 ADAERN COc1ccncc1[C@H]1CCC[C@H]1O 306564036 345440237 /nfs/dbraw/zinc/44/02/37/345440237.db2.gz WGKIZGSECSLZTC-PSASIEDQSA-N 0 0 193.246 1.719 10 0 ADAERN Cc1ocnc1CN[C@@H]1CCO[C@H]1C 306564110 345440250 /nfs/dbraw/zinc/44/02/50/345440250.db2.gz DNRDBHKZALGPEM-IONNQARKSA-N 0 0 196.250 1.250 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QHGXXBPDEIDIFZ-VXNVDRBHSA-N 0 0 183.276 1.728 10 0 ADAERN C[C@H]1CCN(c2cc(N)ns2)[C@H]1C 306564399 345440616 /nfs/dbraw/zinc/44/06/16/345440616.db2.gz WPAMKPWPLOGZQY-BQBZGAKWSA-N 0 0 197.307 1.960 10 0 ADAERN C[C@H]1[C@H](C)CCN1c1cc(N)ns1 306564405 345440621 /nfs/dbraw/zinc/44/06/21/345440621.db2.gz WPAMKPWPLOGZQY-RQJHMYQMSA-N 0 0 197.307 1.960 10 0 ADAERN c1c[nH]c(S[C@@H]2CCCO2)n1 306564249 345440636 /nfs/dbraw/zinc/44/06/36/345440636.db2.gz WRIDUELOGCGPPT-ZCFIWIBFSA-N 0 0 170.237 1.638 10 0 ADAERN Nc1nsc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 306564489 345440647 /nfs/dbraw/zinc/44/06/47/345440647.db2.gz DSUGMWZWLBIWGN-FPFOFBBKSA-N 0 0 196.279 1.331 10 0 ADAERN CCC1(C)CN(CC(C)=O)C1 306564387 345440692 /nfs/dbraw/zinc/44/06/92/345440692.db2.gz WOXAJYOOCRJKKS-UHFFFAOYSA-N 0 0 155.241 1.307 10 0 ADAERN CC[C@@]1(C)C[C@H]1N1CCC(=O)CC1 306564535 345440732 /nfs/dbraw/zinc/44/07/32/345440732.db2.gz DUVSBIIFVLPNIL-MNOVXSKESA-N 0 0 181.279 1.840 10 0 ADAERN CC[C@]1(C)C[C@@H]1N1CCC(=O)CC1 306564537 345440744 /nfs/dbraw/zinc/44/07/44/345440744.db2.gz DUVSBIIFVLPNIL-WDEREUQCSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@@H]1CCN(c2cc(N)ns2)[C@@H]1C 306564403 345440767 /nfs/dbraw/zinc/44/07/67/345440767.db2.gz WPAMKPWPLOGZQY-RNFRBKRXSA-N 0 0 197.307 1.960 10 0 ADAERN CC1(NC(=O)C2CC=CC2)CC1 306564727 345440805 /nfs/dbraw/zinc/44/08/05/345440805.db2.gz DYLHVMMYLZSDGK-UHFFFAOYSA-N 0 0 165.236 1.621 10 0 ADAERN CC[C@]1(C)C[C@H]1N1CCC(=O)CC1 306564534 345440820 /nfs/dbraw/zinc/44/08/20/345440820.db2.gz DUVSBIIFVLPNIL-GHMZBOCLSA-N 0 0 181.279 1.840 10 0 ADAERN Nc1nccnc1N[C@@H]1C[C@H]1C1CC1 306565172 345441017 /nfs/dbraw/zinc/44/10/17/345441017.db2.gz XNOYRJLLVISQRS-JGVFFNPUSA-N 0 0 190.250 1.269 10 0 ADAERN Nc1nccnc1N[C@@H]1C[C@@H]1C1CC1 306565171 345441025 /nfs/dbraw/zinc/44/10/25/345441025.db2.gz XNOYRJLLVISQRS-HTQZYQBOSA-N 0 0 190.250 1.269 10 0 ADAERN COc1ncc(NC2CCCC2)cn1 306564743 345441093 /nfs/dbraw/zinc/44/10/93/345441093.db2.gz XFQFERMTACRUOQ-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN Nc1nccnc1N[C@H]1C[C@H]1C1CC1 306565174 345441109 /nfs/dbraw/zinc/44/11/09/345441109.db2.gz XNOYRJLLVISQRS-YUMQZZPRSA-N 0 0 190.250 1.269 10 0 ADAERN Cn1ncc(-c2cccc(N)c2)n1 306565051 345441193 /nfs/dbraw/zinc/44/11/93/345441193.db2.gz FGARRBFJWZBAOI-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Nc1nccnc1N[C@H]1C[C@@H]1C1CC1 306565173 345441233 /nfs/dbraw/zinc/44/12/33/345441233.db2.gz XNOYRJLLVISQRS-SFYZADRCSA-N 0 0 190.250 1.269 10 0 ADAERN CC[C@H](C)[C@@]1(O)COC(C)(C)C1 306565459 345441721 /nfs/dbraw/zinc/44/17/21/345441721.db2.gz FLIOSXHJCDIMSB-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)c1nc(C2(N)CSC2)no1 306565466 345441799 /nfs/dbraw/zinc/44/17/99/345441799.db2.gz FLNFJOQEKLHLJT-UHFFFAOYSA-N 0 0 199.279 1.094 10 0 ADAERN CC[C@H](C)[C@]1(O)COC(C)(C)C1 306565458 345441839 /nfs/dbraw/zinc/44/18/39/345441839.db2.gz FLIOSXHJCDIMSB-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@@H](C)[C@@]1(O)COC(C)(C)C1 306565457 345441898 /nfs/dbraw/zinc/44/18/98/345441898.db2.gz FLIOSXHJCDIMSB-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@@H](C)[C@]1(O)COC(C)(C)C1 306565456 345441970 /nfs/dbraw/zinc/44/19/70/345441970.db2.gz FLIOSXHJCDIMSB-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN COc1c(F)ccc(F)c1NN 306565916 345442278 /nfs/dbraw/zinc/44/22/78/345442278.db2.gz YVEAOLWCSSNYAL-UHFFFAOYSA-N 0 0 174.150 1.259 10 0 ADAERN Cc1cc(-n2cc(N)cn2)cnc1C 306565722 345442365 /nfs/dbraw/zinc/44/23/65/345442365.db2.gz RMPFEAWWGGIAQV-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1cnc(SC(C)(C)CO)nc1 306565922 345442432 /nfs/dbraw/zinc/44/24/32/345442432.db2.gz YBIZJCHRGSJUPV-UHFFFAOYSA-N 0 0 198.291 1.648 10 0 ADAERN CC1CC(NC(=O)[C@@H]2CC2(C)C)C1 306565851 345442510 /nfs/dbraw/zinc/44/25/10/345442510.db2.gz YMRAMEXKEUEPEQ-HACHORDNSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1nc([C@@H]2[C@H]3CCC[C@H]32)oc1CO 306566495 345442851 /nfs/dbraw/zinc/44/28/51/345442851.db2.gz GGQNZAHWZHNIPQ-MBTKJCJQSA-N 0 0 193.246 1.989 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)C1(C)CC1 306566166 345442854 /nfs/dbraw/zinc/44/28/54/345442854.db2.gz YNVSMYJRFYWRCG-YUMQZZPRSA-N 0 0 167.252 1.559 10 0 ADAERN CNC(=O)NCCn1c(C)ccc1C 306566514 345442891 /nfs/dbraw/zinc/44/28/91/345442891.db2.gz GHFRDUOHBRSKSZ-UHFFFAOYSA-N 0 0 195.266 1.034 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)C1(C)CC1 306566164 345442893 /nfs/dbraw/zinc/44/28/93/345442893.db2.gz YNVSMYJRFYWRCG-JGVFFNPUSA-N 0 0 167.252 1.559 10 0 ADAERN CCc1cc(NN)ccc1F 306566219 345442934 /nfs/dbraw/zinc/44/29/34/345442934.db2.gz RVTRWWOFHLUJAC-UHFFFAOYSA-N 0 0 154.188 1.674 10 0 ADAERN CC(=O)OC[C@H]1Cc2ccccc21 306566444 345442986 /nfs/dbraw/zinc/44/29/86/345442986.db2.gz GCJRNAIZGUXIOE-SNVBAGLBSA-N 0 0 176.215 1.889 10 0 ADAERN CNC(=S)NCC1(F)CCCC1 306566599 345443098 /nfs/dbraw/zinc/44/30/98/345443098.db2.gz BDHBZAODONLTOY-UHFFFAOYSA-N 0 0 190.287 1.363 10 0 ADAERN C/C=C/C(=O)N[C@H]1CS[C@@H](C)C1 306566932 345443287 /nfs/dbraw/zinc/44/32/87/345443287.db2.gz GMEUJKBBZOQJLS-XMYQNILUSA-N 0 0 185.292 1.573 10 0 ADAERN CCCN(C)c1nc(C)c[nH]1 306567087 345443358 /nfs/dbraw/zinc/44/33/58/345443358.db2.gz ZGXBYBMMPJOZMF-UHFFFAOYSA-N 0 0 153.229 1.564 10 0 ADAERN C/C=C/CNc1ccnc(N(C)C)n1 306567200 345443451 /nfs/dbraw/zinc/44/34/51/345443451.db2.gz ZMZWPNVQMOHDKZ-SNAWJCMRSA-N 0 0 192.266 1.531 10 0 ADAERN CC[C@@H]1C[C@H]1c1nc(C)c(CO)o1 306566936 345443485 /nfs/dbraw/zinc/44/34/85/345443485.db2.gz GMLPWBIANYWZHZ-HTQZYQBOSA-N 0 0 181.235 1.989 10 0 ADAERN C/C=C/C(=O)N[C@H]1CS[C@H](C)C1 306566930 345443517 /nfs/dbraw/zinc/44/35/17/345443517.db2.gz GMEUJKBBZOQJLS-ATXJSMISSA-N 0 0 185.292 1.573 10 0 ADAERN CC[C@@H]1C[C@@H]1c1nc(C)c(CO)o1 306566938 345443613 /nfs/dbraw/zinc/44/36/13/345443613.db2.gz GMLPWBIANYWZHZ-SFYZADRCSA-N 0 0 181.235 1.989 10 0 ADAERN c1nc(CN[C@H]2CCC[C@@H]3C[C@H]23)no1 306567249 345443696 /nfs/dbraw/zinc/44/36/96/345443696.db2.gz ZPEUZUIUCVNVDW-VGMNWLOBSA-N 0 0 193.250 1.348 10 0 ADAERN CC[C@H]1C[C@@H]1c1nc(C)c(CO)o1 306566939 345443719 /nfs/dbraw/zinc/44/37/19/345443719.db2.gz GMLPWBIANYWZHZ-YUMQZZPRSA-N 0 0 181.235 1.989 10 0 ADAERN CC[C@H]1C[C@H]1c1nc(C)c(CO)o1 306566937 345443767 /nfs/dbraw/zinc/44/37/67/345443767.db2.gz GMLPWBIANYWZHZ-JGVFFNPUSA-N 0 0 181.235 1.989 10 0 ADAERN CCn1ccc(NCc2cocn2)n1 306566729 345443795 /nfs/dbraw/zinc/44/37/95/345443795.db2.gz YWLVIORUTSZEMX-UHFFFAOYSA-N 0 0 192.222 1.503 10 0 ADAERN CC1(C)CCN(c2cccnn2)C1 306567658 345444013 /nfs/dbraw/zinc/44/40/13/345444013.db2.gz IDTIBAJRSAJJDV-UHFFFAOYSA-N 0 0 177.251 1.713 10 0 ADAERN CC1=CCN(Cc2cc[nH]n2)CC1 306567286 345444036 /nfs/dbraw/zinc/44/40/36/345444036.db2.gz BTGCSOAAZOBIDA-UHFFFAOYSA-N 0 0 177.251 1.562 10 0 ADAERN CCc1cc(C)c(C(=O)OC)o1 306567515 345444223 /nfs/dbraw/zinc/44/42/23/345444223.db2.gz IBLCRVBULGLYFV-UHFFFAOYSA-N 0 0 168.192 1.937 10 0 ADAERN CCn1ccnc1[C@](C)(O)C1CCC1 306568253 345444670 /nfs/dbraw/zinc/44/46/70/345444670.db2.gz UGWSSAWIZTZEGA-LLVKDONJSA-N 0 0 194.278 1.911 10 0 ADAERN C[C@H](Nc1cnns1)c1cn[nH]c1 306567959 345444681 /nfs/dbraw/zinc/44/46/81/345444681.db2.gz IQIVLVBPWRXHCK-YFKPBYRVSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@@H](Nc1cnns1)c1cn[nH]c1 306567958 345444690 /nfs/dbraw/zinc/44/46/90/345444690.db2.gz IQIVLVBPWRXHCK-RXMQYKEDSA-N 0 0 195.251 1.434 10 0 ADAERN C[C@H]1C[C@H]1Nc1nnc(C2CC2)o1 306568001 345444769 /nfs/dbraw/zinc/44/47/69/345444769.db2.gz TZAFJUYEGSIDOZ-CAHLUQPWSA-N 0 0 179.223 1.767 10 0 ADAERN O=C(CC1CCC1)Nc1cnoc1 306567965 345444787 /nfs/dbraw/zinc/44/47/87/345444787.db2.gz IRMIHIUPHVCVIM-UHFFFAOYSA-N 0 0 180.207 1.803 10 0 ADAERN CCn1ccnc1[C@@](C)(O)C1CCC1 306568255 345444821 /nfs/dbraw/zinc/44/48/21/345444821.db2.gz UGWSSAWIZTZEGA-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN C[C@H]1C[C@@H]1Nc1nnc(C2CC2)o1 306568002 345444960 /nfs/dbraw/zinc/44/49/60/345444960.db2.gz TZAFJUYEGSIDOZ-FSPLSTOPSA-N 0 0 179.223 1.767 10 0 ADAERN C[C@@](O)(CNc1cccnn1)C1CC1 306568712 345445300 /nfs/dbraw/zinc/44/53/00/345445300.db2.gz VFAKMGMCJZTVTN-SNVBAGLBSA-N 0 0 193.250 1.050 10 0 ADAERN C[C@](O)(CNc1cccnn1)C1CC1 306568711 345445432 /nfs/dbraw/zinc/44/54/32/345445432.db2.gz VFAKMGMCJZTVTN-JTQLQIEISA-N 0 0 193.250 1.050 10 0 ADAERN O=C(Nc1cnoc1)c1ccc[nH]1 306568814 345445505 /nfs/dbraw/zinc/44/55/05/345445505.db2.gz JSTQWBAYHKAOHF-UHFFFAOYSA-N 0 0 177.163 1.255 10 0 ADAERN O=C(c1ccc(F)cc1)N1CC=CC1 306568284 345445525 /nfs/dbraw/zinc/44/55/25/345445525.db2.gz ULKCAWZUWYYMKN-UHFFFAOYSA-N 0 0 191.205 1.838 10 0 ADAERN Cn1cc([C@@]2(O)CCC(C)(C)C2)nn1 306569220 345446002 /nfs/dbraw/zinc/44/60/02/345446002.db2.gz WAJZQPAIZIORPT-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN CCC1(Nc2cnnn2C)CC1 306569197 345446049 /nfs/dbraw/zinc/44/60/49/345446049.db2.gz VYYILTKTNYMJAO-UHFFFAOYSA-N 0 0 166.228 1.170 10 0 ADAERN Cn1cc([C@]2(O)CCC(C)(C)C2)nn1 306569219 345446103 /nfs/dbraw/zinc/44/61/03/345446103.db2.gz WAJZQPAIZIORPT-JTQLQIEISA-N 0 0 195.266 1.213 10 0 ADAERN CCN(C)C(=O)C1=CCCSC1 306569027 345446142 /nfs/dbraw/zinc/44/61/42/345446142.db2.gz VWIHQUXBOZMLTP-UHFFFAOYSA-N 0 0 185.292 1.528 10 0 ADAERN C[C@@H](Nc1c[nH]cn1)C(F)(F)F 306569667 345446433 /nfs/dbraw/zinc/44/64/33/345446433.db2.gz LIOKAXDTCCZGQO-SCSAIBSYSA-N 0 0 179.145 1.772 10 0 ADAERN CCN1C(=O)O[C@](C)(C2CC2)C1=O 306569713 345446535 /nfs/dbraw/zinc/44/65/35/345446535.db2.gz LOKCGAFEMWGMBA-SECBINFHSA-N 0 0 183.207 1.154 10 0 ADAERN CC1(C)OCC[C@H]1Nc1ncns1 306569887 345446774 /nfs/dbraw/zinc/44/67/74/345446774.db2.gz LTWJJDQMRICQJB-ZCFIWIBFSA-N 0 0 199.279 1.518 10 0 ADAERN CC1(C)OCC[C@@H]1Nc1ncns1 306569880 345446591 /nfs/dbraw/zinc/44/65/91/345446591.db2.gz LTWJJDQMRICQJB-LURJTMIESA-N 0 0 199.279 1.518 10 0 ADAERN CCN1C(=O)O[C@@](C)(C2CC2)C1=O 306569714 345446605 /nfs/dbraw/zinc/44/66/05/345446605.db2.gz LOKCGAFEMWGMBA-VIFPVBQESA-N 0 0 183.207 1.154 10 0 ADAERN CC[C@@H](Nc1ncccc1C)C(N)=O 306569425 345446695 /nfs/dbraw/zinc/44/66/95/345446695.db2.gz WMWCVJUCCNBXJH-MRVPVSSYSA-N 0 0 193.250 1.066 10 0 ADAERN CN(c1nn(C)cc1N)C(C)(C)C 306569768 345446725 /nfs/dbraw/zinc/44/67/25/345446725.db2.gz XFYOPSOOWSRWKT-UHFFFAOYSA-N 0 0 182.271 1.237 10 0 ADAERN CC[C@H](Nc1ncccc1C)C(N)=O 306569426 345446818 /nfs/dbraw/zinc/44/68/18/345446818.db2.gz WMWCVJUCCNBXJH-QMMMGPOBSA-N 0 0 193.250 1.066 10 0 ADAERN C[C@H](Nc1c[nH]cn1)C(F)(F)F 306569666 345446823 /nfs/dbraw/zinc/44/68/23/345446823.db2.gz LIOKAXDTCCZGQO-BYPYZUCNSA-N 0 0 179.145 1.772 10 0 ADAERN CN(C(=O)C1CCC1)[C@@H]1CCOC1 306570133 345447023 /nfs/dbraw/zinc/44/70/23/345447023.db2.gz MLMLCLHPHZQENQ-SECBINFHSA-N 0 0 183.251 1.034 10 0 ADAERN Nc1nccnc1N1CCC=C(F)C1 306570213 345447090 /nfs/dbraw/zinc/44/70/90/345447090.db2.gz YEZMZRWKCMUACF-UHFFFAOYSA-N 0 0 194.213 1.122 10 0 ADAERN CCC1(N2CCC(=O)CC2=O)CC1 306570005 345447114 /nfs/dbraw/zinc/44/71/14/345447114.db2.gz XSCXIQMMIFEBSO-UHFFFAOYSA-N 0 0 181.235 1.121 10 0 ADAERN CN(C(=O)C1CCC1)[C@H]1CCOC1 306570134 345447118 /nfs/dbraw/zinc/44/71/18/345447118.db2.gz MLMLCLHPHZQENQ-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN CC(F)(F)CCNc1cccnn1 306570223 345447125 /nfs/dbraw/zinc/44/71/25/345447125.db2.gz YHBCVHDMWYCHSB-UHFFFAOYSA-N 0 0 187.193 1.934 10 0 ADAERN Nc1cncc(N2CCC3(CC3)C2)n1 306570220 345447223 /nfs/dbraw/zinc/44/72/23/345447223.db2.gz YGSOOQOPILHUKJ-UHFFFAOYSA-N 0 0 190.250 1.049 10 0 ADAERN CC(=O)c1[nH]c(=O)sc1C 306570219 345447243 /nfs/dbraw/zinc/44/72/43/345447243.db2.gz YGSGESMTSPMDHU-UHFFFAOYSA-N 0 0 157.194 1.360 10 0 ADAERN C/C(=C\Cl)CN1CCC(=O)C1 306570836 345447996 /nfs/dbraw/zinc/44/79/96/345447996.db2.gz AFUUQRDYCLEOGX-QPJJXVBHSA-N 0 0 173.643 1.404 10 0 ADAERN CC(=O)N[C@H](C)c1ccnc(F)c1 306571060 345448415 /nfs/dbraw/zinc/44/84/15/345448415.db2.gz NVMCQLCYSGUTNM-ZCFIWIBFSA-N 0 0 182.198 1.418 10 0 ADAERN O=c1[nH]nc(C(F)F)s1 306570848 345448126 /nfs/dbraw/zinc/44/81/26/345448126.db2.gz ZJVRFCGTTWJICZ-UHFFFAOYSA-N 0 0 152.125 1.181 10 0 ADAERN OCNc1nc2ccc(Cl)cc2o1 306570716 345448158 /nfs/dbraw/zinc/44/81/58/345448158.db2.gz NNMHCRHLSKPGRZ-UHFFFAOYSA-N 0 0 198.609 1.843 10 0 ADAERN CCCC1(Nc2ncc[nH]c2=O)CC1 306570895 345448191 /nfs/dbraw/zinc/44/81/91/345448191.db2.gz ZPHINWZDNPBIOZ-UHFFFAOYSA-N 0 0 193.250 1.927 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)C1(F)CCC1 306571015 345448394 /nfs/dbraw/zinc/44/83/94/345448394.db2.gz NRRMOLTZFGTAOH-ZETCQYMHSA-N 0 0 185.242 1.793 10 0 ADAERN CC1(C)C[C@H]1NC(=O)C1(F)CCC1 306571014 345448542 /nfs/dbraw/zinc/44/85/42/345448542.db2.gz NRRMOLTZFGTAOH-SSDOTTSWSA-N 0 0 185.242 1.793 10 0 ADAERN CC(=O)N[C@@H](C)c1ccnc(F)c1 306571059 345448580 /nfs/dbraw/zinc/44/85/80/345448580.db2.gz NVMCQLCYSGUTNM-LURJTMIESA-N 0 0 182.198 1.418 10 0 ADAERN Cc1c(N)ccc(=O)n1CC1CCC1 306571125 345448610 /nfs/dbraw/zinc/44/86/10/345448610.db2.gz ZWJAGPKPZUDGHA-UHFFFAOYSA-N 0 0 192.262 1.539 10 0 ADAERN CCC(CC)c1noc(N)n1 306571182 345448643 /nfs/dbraw/zinc/44/86/43/345448643.db2.gz FSUUKSFYQMISEI-UHFFFAOYSA-N 0 0 155.201 1.555 10 0 ADAERN Cc1ncc(N[C@H](C)C2CC2)cn1 306572075 345449055 /nfs/dbraw/zinc/44/90/55/345449055.db2.gz GOZZBXBEKAGKGQ-SSDOTTSWSA-N 0 0 177.251 1.995 10 0 ADAERN CC(C)=CCCNC#N 306571820 345449064 /nfs/dbraw/zinc/44/90/64/345449064.db2.gz HDBYGUNOWMLEBB-UHFFFAOYSA-N 0 0 124.187 1.413 10 0 ADAERN Cc1noc(NCc2cnc(C)o2)n1 306571851 345449125 /nfs/dbraw/zinc/44/91/25/345449125.db2.gz HFSMPUWSSMAWMT-UHFFFAOYSA-N 0 0 194.194 1.287 10 0 ADAERN CN(C#N)C(=O)CC1CCCC1 306571594 345449282 /nfs/dbraw/zinc/44/92/82/345449282.db2.gz OHLWLDFCJYGKTI-UHFFFAOYSA-N 0 0 166.224 1.506 10 0 ADAERN CNC(=S)N(C)[C@H]1CC[C@H](C)C1 306572424 345449587 /nfs/dbraw/zinc/44/95/87/345449587.db2.gz PAPZQJASNVCGCM-YUMQZZPRSA-N 0 0 186.324 1.611 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1ccns1 306572570 345449595 /nfs/dbraw/zinc/44/95/95/345449595.db2.gz GYJQCMKLLYAMNK-MUWHJKNJSA-N 0 0 197.259 1.751 10 0 ADAERN C=C(Cl)C(=O)Nc1n[nH]cc1C 306572685 345449611 /nfs/dbraw/zinc/44/96/11/345449611.db2.gz AZEQXODOAFHULS-UHFFFAOYSA-N 0 0 185.614 1.409 10 0 ADAERN Cc1nc([C@H]2CCO[C@@H]2C)oc1CO 306572157 345449634 /nfs/dbraw/zinc/44/96/34/345449634.db2.gz HMUNDZPMGQPQCF-SFYZADRCSA-N 0 0 197.234 1.368 10 0 ADAERN CNC(=S)N(C)[C@@H]1CC[C@@H](C)C1 306572421 345449636 /nfs/dbraw/zinc/44/96/36/345449636.db2.gz PAPZQJASNVCGCM-HTQZYQBOSA-N 0 0 186.324 1.611 10 0 ADAERN S=c1[nH]nc2cc(Cl)ncn12 306572168 345449641 /nfs/dbraw/zinc/44/96/41/345449641.db2.gz HNGPMFMTCUZSJS-UHFFFAOYSA-N 0 0 186.627 1.066 10 0 ADAERN CN1C(=S)N=NC1CC1(C)CC1 306572772 345449646 /nfs/dbraw/zinc/44/96/46/345449646.db2.gz BBQSXZGVEWCCOL-UHFFFAOYSA-N 0 0 183.280 1.446 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1ccns1 306572569 345449650 /nfs/dbraw/zinc/44/96/50/345449650.db2.gz GYJQCMKLLYAMNK-IMTBSYHQSA-N 0 0 197.259 1.751 10 0 ADAERN CNC(=S)N(C)[C@@H]1CC[C@H](C)C1 306572422 345449694 /nfs/dbraw/zinc/44/96/94/345449694.db2.gz PAPZQJASNVCGCM-JGVFFNPUSA-N 0 0 186.324 1.611 10 0 ADAERN CC1CN(C(=O)Cc2ccsc2)C1 306572399 345449728 /nfs/dbraw/zinc/44/97/28/345449728.db2.gz OYHBHHISUXECSN-UHFFFAOYSA-N 0 0 195.287 1.769 10 0 ADAERN CNC(=S)N(C)[C@H]1CC[C@@H](C)C1 306572423 345449751 /nfs/dbraw/zinc/44/97/51/345449751.db2.gz PAPZQJASNVCGCM-SFYZADRCSA-N 0 0 186.324 1.611 10 0 ADAERN CCc1nc(C2(C)CC2)oc1CO 306572682 345449772 /nfs/dbraw/zinc/44/97/72/345449772.db2.gz HSDXMGGYLYAQJD-UHFFFAOYSA-N 0 0 181.235 1.781 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1ccns1 306572571 345449780 /nfs/dbraw/zinc/44/97/80/345449780.db2.gz GYJQCMKLLYAMNK-RCOVLWMOSA-N 0 0 197.259 1.751 10 0 ADAERN Cc1nc([C@@H]2CCO[C@H]2C)oc1CO 306572156 345449796 /nfs/dbraw/zinc/44/97/96/345449796.db2.gz HMUNDZPMGQPQCF-JGVFFNPUSA-N 0 0 197.234 1.368 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1ccns1 306572568 345449830 /nfs/dbraw/zinc/44/98/30/345449830.db2.gz GYJQCMKLLYAMNK-HZGVNTEJSA-N 0 0 197.259 1.751 10 0 ADAERN Cc1nc([C@H]2CCO[C@H]2C)oc1CO 306572158 345449834 /nfs/dbraw/zinc/44/98/34/345449834.db2.gz HMUNDZPMGQPQCF-YUMQZZPRSA-N 0 0 197.234 1.368 10 0 ADAERN Cc1nnc(C(C)(C)C[C@@H](C)O)n1C 306573377 345450103 /nfs/dbraw/zinc/45/01/03/345450103.db2.gz HNMYUODPSNSJJQ-SSDOTTSWSA-N 0 0 197.282 1.172 10 0 ADAERN Cc1nn(C)c2c1[C@@H](CO)C[C@H](C)N2 306572941 345450107 /nfs/dbraw/zinc/45/01/07/345450107.db2.gz HEZSYTOVJKGRBX-POYBYMJQSA-N 0 0 195.266 1.009 10 0 ADAERN CC1(C)C[C@@](O)(c2ccoc2)CO1 306573070 345450110 /nfs/dbraw/zinc/45/01/10/345450110.db2.gz HZCRTDDHCVQBAT-JTQLQIEISA-N 0 0 182.219 1.666 10 0 ADAERN CC1(C)C[C@](O)(c2ccoc2)CO1 306573071 345450133 /nfs/dbraw/zinc/45/01/33/345450133.db2.gz HZCRTDDHCVQBAT-SNVBAGLBSA-N 0 0 182.219 1.666 10 0 ADAERN CNC(=O)N(C)[C@H](C)[C@@H]1CC1(C)C 306572978 345450160 /nfs/dbraw/zinc/45/01/60/345450160.db2.gz HHWZVUCECKRNDY-SFYZADRCSA-N 0 0 184.283 1.692 10 0 ADAERN COc1cc(F)cc(OC)c1N 306573291 345450195 /nfs/dbraw/zinc/45/01/95/345450195.db2.gz HIUYCKAJCUPCHP-UHFFFAOYSA-N 0 0 171.171 1.425 10 0 ADAERN Cc1nn(C)c2c1[C@H](CO)C[C@H](C)N2 306572943 345450208 /nfs/dbraw/zinc/45/02/08/345450208.db2.gz HEZSYTOVJKGRBX-XPUUQOCRSA-N 0 0 195.266 1.009 10 0 ADAERN CNC(=O)N(C)[C@@H](C)[C@@H]1CC1(C)C 306572980 345450215 /nfs/dbraw/zinc/45/02/15/345450215.db2.gz HHWZVUCECKRNDY-YUMQZZPRSA-N 0 0 184.283 1.692 10 0 ADAERN Cc1nn(C)c2c1[C@H](CO)C[C@@H](C)N2 306572942 345450253 /nfs/dbraw/zinc/45/02/53/345450253.db2.gz HEZSYTOVJKGRBX-SVRRBLITSA-N 0 0 195.266 1.009 10 0 ADAERN CNC(=O)N(C)[C@@H](C)[C@H]1CC1(C)C 306572976 345450256 /nfs/dbraw/zinc/45/02/56/345450256.db2.gz HHWZVUCECKRNDY-JGVFFNPUSA-N 0 0 184.283 1.692 10 0 ADAERN Cc1nn(C)c2c1[C@@H](CO)C[C@@H](C)N2 306572940 345450318 /nfs/dbraw/zinc/45/03/18/345450318.db2.gz HEZSYTOVJKGRBX-HTRCEHHLSA-N 0 0 195.266 1.009 10 0 ADAERN O=C(c1ccns1)C1CC1 306573152 345450337 /nfs/dbraw/zinc/45/03/37/345450337.db2.gz BFZWTGALOVCJEF-UHFFFAOYSA-N 0 0 153.206 1.736 10 0 ADAERN Cc1cc(-c2nc(C)c(CO)o2)no1 306573808 345450581 /nfs/dbraw/zinc/45/05/81/345450581.db2.gz IJWNQALAUGRGOU-UHFFFAOYSA-N 0 0 194.190 1.439 10 0 ADAERN CC1(C)C[C@H]1C1(C)CC(=O)NC(=O)C1 306573776 345450584 /nfs/dbraw/zinc/45/05/84/345450584.db2.gz HSPVIYJOUHKCGN-SSDOTTSWSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@H](c1ncon1)n1cccc1C=O 306573435 345450625 /nfs/dbraw/zinc/45/06/25/345450625.db2.gz IDNGGQIZURCNJH-SSDOTTSWSA-N 0 0 191.190 1.293 10 0 ADAERN CCC[C@H](C)N1CC(F)C1 306573598 345450627 /nfs/dbraw/zinc/45/06/27/345450627.db2.gz QJYKDFLKHAIITL-ZETCQYMHSA-N 0 0 145.221 1.829 10 0 ADAERN CCC[C@@H](C)N1CC(F)C1 306573597 345450642 /nfs/dbraw/zinc/45/06/42/345450642.db2.gz QJYKDFLKHAIITL-SSDOTTSWSA-N 0 0 145.221 1.829 10 0 ADAERN Cc1nnc(C(C)(C)C[C@H](C)O)n1C 306573378 345450657 /nfs/dbraw/zinc/45/06/57/345450657.db2.gz HNMYUODPSNSJJQ-ZETCQYMHSA-N 0 0 197.282 1.172 10 0 ADAERN CC1(C)C[C@@H]1C1(C)CC(=O)NC(=O)C1 306573778 345450759 /nfs/dbraw/zinc/45/07/59/345450759.db2.gz HSPVIYJOUHKCGN-ZETCQYMHSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H](c1ncon1)n1cccc1C=O 306573436 345450814 /nfs/dbraw/zinc/45/08/14/345450814.db2.gz IDNGGQIZURCNJH-ZETCQYMHSA-N 0 0 191.190 1.293 10 0 ADAERN CC[C@@]1(C)C[C@H]1NC(=O)C(F)(F)F 306574147 345451020 /nfs/dbraw/zinc/45/10/20/345451020.db2.gz HYRZCWCFNHLMNG-VDTYLAMSSA-N 0 0 195.184 1.854 10 0 ADAERN C[C@H]1C[C@H]1Nc1cnc(Cl)cn1 306573974 345451252 /nfs/dbraw/zinc/45/12/52/345451252.db2.gz BTUCSQYYLQZLAE-NTSWFWBYSA-N 0 0 183.642 1.950 10 0 ADAERN CC[C@]1(C)C[C@@H]1NC(=O)C(F)(F)F 306574144 345451283 /nfs/dbraw/zinc/45/12/83/345451283.db2.gz HYRZCWCFNHLMNG-CAHLUQPWSA-N 0 0 195.184 1.854 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cnc(Cl)cn1 306573976 345451321 /nfs/dbraw/zinc/45/13/21/345451321.db2.gz BTUCSQYYLQZLAE-RITPCOANSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cnc(Cl)cn1 306573977 345451330 /nfs/dbraw/zinc/45/13/30/345451330.db2.gz BTUCSQYYLQZLAE-WDSKDSINSA-N 0 0 183.642 1.950 10 0 ADAERN CC[C@@]1(C)C[C@@H]1NC(=O)C(F)(F)F 306574145 345451406 /nfs/dbraw/zinc/45/14/06/345451406.db2.gz HYRZCWCFNHLMNG-FSPLSTOPSA-N 0 0 195.184 1.854 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cnc(Cl)cn1 306573975 345451444 /nfs/dbraw/zinc/45/14/44/345451444.db2.gz BTUCSQYYLQZLAE-PHDIDXHHSA-N 0 0 183.642 1.950 10 0 ADAERN CC[C@]1(C)C[C@H]1NC(=O)C(F)(F)F 306574146 345451526 /nfs/dbraw/zinc/45/15/26/345451526.db2.gz HYRZCWCFNHLMNG-IYSWYEEDSA-N 0 0 195.184 1.854 10 0 ADAERN O=C(CC(F)(F)F)Nc1c[nH]cn1 306574597 345451766 /nfs/dbraw/zinc/45/17/66/345451766.db2.gz RLWXWKVPZTYYNG-UHFFFAOYSA-N 0 0 193.128 1.301 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C1(F)CCC1 306574644 345451776 /nfs/dbraw/zinc/45/17/76/345451776.db2.gz RRTOOFHWFQWBLA-NKWVEPMBSA-N 0 0 171.215 1.403 10 0 ADAERN Cc1ccc(N[S@@](C)=O)c(N)c1 306574506 345451857 /nfs/dbraw/zinc/45/18/57/345451857.db2.gz ILUMENGFVWVXMD-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN Cc1ccc(N[S@](C)=O)c(N)c1 306574507 345452032 /nfs/dbraw/zinc/45/20/32/345452032.db2.gz ILUMENGFVWVXMD-LBPRGKRZSA-N 0 0 184.264 1.283 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)C1(F)CCC1 306574643 345452071 /nfs/dbraw/zinc/45/20/71/345452071.db2.gz RRTOOFHWFQWBLA-BQBZGAKWSA-N 0 0 171.215 1.403 10 0 ADAERN Cc1c[nH]c(N2CCC[C@@H](C)C2)n1 306575475 345452311 /nfs/dbraw/zinc/45/23/11/345452311.db2.gz JFNUDNNBKHKGFQ-MRVPVSSYSA-N 0 0 179.267 1.954 10 0 ADAERN Cc1c[nH]c(N2CCC[C@H](C)C2)n1 306575476 345452411 /nfs/dbraw/zinc/45/24/11/345452411.db2.gz JFNUDNNBKHKGFQ-QMMMGPOBSA-N 0 0 179.267 1.954 10 0 ADAERN C1=C(CNc2ncccn2)CCOC1 306575408 345452629 /nfs/dbraw/zinc/45/26/29/345452629.db2.gz JLWZBCHNGYYJFY-UHFFFAOYSA-N 0 0 191.234 1.235 10 0 ADAERN C[C@@H](c1nc(N)no1)C(C)(C)C 306576103 345452802 /nfs/dbraw/zinc/45/28/02/345452802.db2.gz KAQYIWGIFOQFIT-YFKPBYRVSA-N 0 0 169.228 1.801 10 0 ADAERN Cc1cocc1[C@@H](NN)C(C)C 306575834 345452811 /nfs/dbraw/zinc/45/28/11/345452811.db2.gz JWQVZAROTHHXJW-VIFPVBQESA-N 0 0 168.240 1.748 10 0 ADAERN Cc1cocc1[C@H](NN)C(C)C 306575832 345453021 /nfs/dbraw/zinc/45/30/21/345453021.db2.gz JWQVZAROTHHXJW-SECBINFHSA-N 0 0 168.240 1.748 10 0 ADAERN C[C@H](c1nc(N)no1)C(C)(C)C 306576102 345452861 /nfs/dbraw/zinc/45/28/61/345452861.db2.gz KAQYIWGIFOQFIT-RXMQYKEDSA-N 0 0 169.228 1.801 10 0 ADAERN O=C(C[C@@H]1CCOC1)c1csnn1 306575603 345452870 /nfs/dbraw/zinc/45/28/70/345452870.db2.gz JQIPOUBXZMQQCR-LURJTMIESA-N 0 0 198.247 1.147 10 0 ADAERN C[C@H]1CCCCN1c1ncc[nH]1 306575555 345452880 /nfs/dbraw/zinc/45/28/80/345452880.db2.gz JLUQZVMHBZJXJA-QMMMGPOBSA-N 0 0 165.240 1.789 10 0 ADAERN C[C@@H]1CCCCN1c1ncc[nH]1 306575554 345452906 /nfs/dbraw/zinc/45/29/06/345452906.db2.gz JLUQZVMHBZJXJA-MRVPVSSYSA-N 0 0 165.240 1.789 10 0 ADAERN O=C(C[C@H]1CCOC1)c1csnn1 306575604 345452942 /nfs/dbraw/zinc/45/29/42/345452942.db2.gz JQIPOUBXZMQQCR-ZCFIWIBFSA-N 0 0 198.247 1.147 10 0 ADAERN O=C(c1cscn1)c1ccns1 306576049 345453050 /nfs/dbraw/zinc/45/30/50/345453050.db2.gz JWICIYWJZCAVHP-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN CC[C@]1(C)C[C@H]1NC(=O)NC 306576172 345453401 /nfs/dbraw/zinc/45/34/01/345453401.db2.gz KAURDJXOBCIFBA-HTRCEHHLSA-N 0 0 156.229 1.104 10 0 ADAERN OCc1ocnc1C1CC1 306576183 345453405 /nfs/dbraw/zinc/45/34/05/345453405.db2.gz KELPWHTYNJLUSY-UHFFFAOYSA-N 0 0 139.154 1.044 10 0 ADAERN CC[C@]1(C)C[C@@H]1Nc1nc(C)no1 306576213 345453482 /nfs/dbraw/zinc/45/34/82/345453482.db2.gz KAZWTLRMKRJLDA-IONNQARKSA-N 0 0 181.239 1.979 10 0 ADAERN CCC(=O)NC1(C(F)F)CC1 306576538 345453499 /nfs/dbraw/zinc/45/34/99/345453499.db2.gz UDBGKQNXRDBLGH-UHFFFAOYSA-N 0 0 163.167 1.310 10 0 ADAERN CC[C@@]1(C)C[C@@H]1Nc1nc(C)no1 306576209 345453504 /nfs/dbraw/zinc/45/35/04/345453504.db2.gz KAZWTLRMKRJLDA-CBAPKCEASA-N 0 0 181.239 1.979 10 0 ADAERN Cc1nccnc1NCCF 306576463 345453533 /nfs/dbraw/zinc/45/35/33/345453533.db2.gz TUIWZWHWDXQJID-UHFFFAOYSA-N 0 0 155.176 1.166 10 0 ADAERN C/C=C/C(=O)N[C@@H]1[C@H]2CCCC[C@H]21 306576224 345453546 /nfs/dbraw/zinc/45/35/46/345453546.db2.gz SWHMBGFNIPMJGR-XSJUWWFESA-N 0 0 179.263 1.867 10 0 ADAERN CC[C@]1(C)C[C@H]1Nc1nc(C)no1 306576220 345453591 /nfs/dbraw/zinc/45/35/91/345453591.db2.gz KAZWTLRMKRJLDA-VXNVDRBHSA-N 0 0 181.239 1.979 10 0 ADAERN CC[C@@]1(C)C[C@H]1NC(=O)NC 306576185 345453634 /nfs/dbraw/zinc/45/36/34/345453634.db2.gz KAURDJXOBCIFBA-SVRRBLITSA-N 0 0 156.229 1.104 10 0 ADAERN CC[C@@]1(C)C[C@H]1Nc1nc(C)no1 306576202 345453636 /nfs/dbraw/zinc/45/36/36/345453636.db2.gz KAZWTLRMKRJLDA-APPZFPTMSA-N 0 0 181.239 1.979 10 0 ADAERN CC1(C)CN(c2cncc(N)c2)C1 306576509 345453638 /nfs/dbraw/zinc/45/36/38/345453638.db2.gz UAKCCGZQYAJKAW-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN CC[C@@]1(C)C[C@@H]1NC(=O)NC 306576191 345453664 /nfs/dbraw/zinc/45/36/64/345453664.db2.gz KAURDJXOBCIFBA-XPUUQOCRSA-N 0 0 156.229 1.104 10 0 ADAERN CC[C@]1(C)C[C@@H]1NC(=O)NC 306576178 345453719 /nfs/dbraw/zinc/45/37/19/345453719.db2.gz KAURDJXOBCIFBA-POYBYMJQSA-N 0 0 156.229 1.104 10 0 ADAERN NN[C@@H](c1ccns1)C(F)(F)F 306576450 345453725 /nfs/dbraw/zinc/45/37/25/345453725.db2.gz KLMQTZSRALKWQF-BYPYZUCNSA-N 0 0 197.185 1.210 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1C 306576879 345453970 /nfs/dbraw/zinc/45/39/70/345453970.db2.gz UGWAPNBJHJJDCB-CWKFCGSDSA-N 0 0 153.225 1.167 10 0 ADAERN O=C1CCC[C@@H]1c1ccns1 306576687 345454012 /nfs/dbraw/zinc/45/40/12/345454012.db2.gz KNZCAQNSHUMLAG-LURJTMIESA-N 0 0 167.233 1.980 10 0 ADAERN Cn1cnc(-c2cncc(O)c2)c1 306576636 345454029 /nfs/dbraw/zinc/45/40/29/345454029.db2.gz KORSMPKIXQXDQC-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN O=C1CCC[C@H]1c1ccns1 306576688 345454075 /nfs/dbraw/zinc/45/40/75/345454075.db2.gz KNZCAQNSHUMLAG-ZCFIWIBFSA-N 0 0 167.233 1.980 10 0 ADAERN C[C@H](C1N=NC(=S)N1)C(C)(F)F 306576920 345454137 /nfs/dbraw/zinc/45/41/37/345454137.db2.gz UIKWGMXVJWOSEA-GSVOUGTGSA-N 0 0 193.222 1.852 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)[C@@H]1C[C@H]1C 306576885 345454212 /nfs/dbraw/zinc/45/42/12/345454212.db2.gz UGWAPNBJHJJDCB-ULAWRXDQSA-N 0 0 153.225 1.167 10 0 ADAERN Fc1cc(NCc2cocn2)ncn1 306576906 345454340 /nfs/dbraw/zinc/45/43/40/345454340.db2.gz KWYLBNKUPKCRTF-UHFFFAOYSA-N 0 0 194.169 1.216 10 0 ADAERN C[C@@H](C1N=NC(=S)N1)C(C)(F)F 306576921 345454355 /nfs/dbraw/zinc/45/43/55/345454355.db2.gz UIKWGMXVJWOSEA-VKHMYHEASA-N 0 0 193.222 1.852 10 0 ADAERN c1cc(Sc2ncc[nH]2)ncn1 306577272 345454454 /nfs/dbraw/zinc/45/44/54/345454454.db2.gz VALBAPMROYGVAF-UHFFFAOYSA-N 0 0 178.220 1.351 10 0 ADAERN OCC1(C[C@H]2CCOC2)CCCC1 306577345 345454578 /nfs/dbraw/zinc/45/45/78/345454578.db2.gz LEHCGOUFNRFKGB-SNVBAGLBSA-N 0 0 184.279 1.966 10 0 ADAERN O=C([C@H]1C[C@@H]1C(F)F)N1CCC1 306577163 345454676 /nfs/dbraw/zinc/45/46/76/345454676.db2.gz LCQNHXVGAQQCFI-WDSKDSINSA-N 0 0 175.178 1.120 10 0 ADAERN C[C@H](NC1CCCC1)c1ncon1 306577119 345454690 /nfs/dbraw/zinc/45/46/90/345454690.db2.gz KZZPHDHZJSVHLE-ZETCQYMHSA-N 0 0 181.239 1.663 10 0 ADAERN C[C@@H](NC1CCCC1)c1ncon1 306577118 345454706 /nfs/dbraw/zinc/45/47/06/345454706.db2.gz KZZPHDHZJSVHLE-SSDOTTSWSA-N 0 0 181.239 1.663 10 0 ADAERN OCC1(C[C@@H]2CCOC2)CCCC1 306577343 345454718 /nfs/dbraw/zinc/45/47/18/345454718.db2.gz LEHCGOUFNRFKGB-JTQLQIEISA-N 0 0 184.279 1.966 10 0 ADAERN CO[C@@H](C)[C@@H]1NC(=O)C12CCCC2 306577693 345455170 /nfs/dbraw/zinc/45/51/70/345455170.db2.gz LKGLLVOVUMSYJI-YUMQZZPRSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)(F)C(=O)C[C@@H]1CCOC1 306577593 345455191 /nfs/dbraw/zinc/45/51/91/345455191.db2.gz LKTWXPQDCMIVID-ZETCQYMHSA-N 0 0 174.215 1.730 10 0 ADAERN CC(C)=CC(=O)NCc1cnc(C)o1 306577626 345455207 /nfs/dbraw/zinc/45/52/07/345455207.db2.gz LMHJBEHFZRPTPA-UHFFFAOYSA-N 0 0 194.234 1.565 10 0 ADAERN Cn1nccc1[C@](C)(O)[C@H]1CC1(C)C 306577765 345455216 /nfs/dbraw/zinc/45/52/16/345455216.db2.gz LQICUBFZILHYBV-GZMMTYOYSA-N 0 0 194.278 1.674 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ncccc1F 306577999 345455257 /nfs/dbraw/zinc/45/52/57/345455257.db2.gz VPXHWYDIGMCAQM-RQJHMYQMSA-N 0 0 184.214 1.402 10 0 ADAERN CCCCC1(O)CSC1 306577847 345455265 /nfs/dbraw/zinc/45/52/65/345455265.db2.gz LTMYUFSRAGLHGZ-UHFFFAOYSA-N 0 0 146.255 1.655 10 0 ADAERN Nc1ccc(-c2ccns2)nc1 306577671 345455291 /nfs/dbraw/zinc/45/52/91/345455291.db2.gz LOXBRCPERNDCQK-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN NN[C@@H](c1ccns1)C1CCC1 306577739 345455293 /nfs/dbraw/zinc/45/52/93/345455293.db2.gz LOZCWBLVILJNOV-MRVPVSSYSA-N 0 0 183.280 1.448 10 0 ADAERN Cn1nccc1[C@@](C)(O)[C@H]1CC1(C)C 306577767 345455310 /nfs/dbraw/zinc/45/53/10/345455310.db2.gz LQICUBFZILHYBV-KWQFWETISA-N 0 0 194.278 1.674 10 0 ADAERN Cn1nccc1[C@@](C)(O)[C@@H]1CC1(C)C 306577766 345455336 /nfs/dbraw/zinc/45/53/36/345455336.db2.gz LQICUBFZILHYBV-KCJUWKMLSA-N 0 0 194.278 1.674 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1ncccc1F 306577998 345455339 /nfs/dbraw/zinc/45/53/39/345455339.db2.gz VPXHWYDIGMCAQM-RNFRBKRXSA-N 0 0 184.214 1.402 10 0 ADAERN CO[C@H](C)[C@@H]1NC(=O)C12CCCC2 306577692 345455379 /nfs/dbraw/zinc/45/53/79/345455379.db2.gz LKGLLVOVUMSYJI-SFYZADRCSA-N 0 0 183.251 1.080 10 0 ADAERN NN[C@H](c1ccns1)C1CCC1 306577740 345455409 /nfs/dbraw/zinc/45/54/09/345455409.db2.gz LOZCWBLVILJNOV-QMMMGPOBSA-N 0 0 183.280 1.448 10 0 ADAERN CC(C)(F)C(=O)C[C@H]1CCOC1 306577592 345455453 /nfs/dbraw/zinc/45/54/53/345455453.db2.gz LKTWXPQDCMIVID-SSDOTTSWSA-N 0 0 174.215 1.730 10 0 ADAERN CO[C@@H](C)[C@H]1NC(=O)C12CCCC2 306577691 345455463 /nfs/dbraw/zinc/45/54/63/345455463.db2.gz LKGLLVOVUMSYJI-JGVFFNPUSA-N 0 0 183.251 1.080 10 0 ADAERN Cn1nccc1[C@](C)(O)[C@@H]1CC1(C)C 306577768 345455469 /nfs/dbraw/zinc/45/54/69/345455469.db2.gz LQICUBFZILHYBV-LDYMZIIASA-N 0 0 194.278 1.674 10 0 ADAERN C[C@H](Nc1ncccc1F)[C@@H](C)O 306577997 345455472 /nfs/dbraw/zinc/45/54/72/345455472.db2.gz VPXHWYDIGMCAQM-NKWVEPMBSA-N 0 0 184.214 1.402 10 0 ADAERN CO[C@H](C)[C@H]1NC(=O)C12CCCC2 306577690 345455478 /nfs/dbraw/zinc/45/54/78/345455478.db2.gz LKGLLVOVUMSYJI-HTQZYQBOSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H](O)[C@H](C)Nc1ncccc1F 306577996 345455494 /nfs/dbraw/zinc/45/54/94/345455494.db2.gz VPXHWYDIGMCAQM-BQBZGAKWSA-N 0 0 184.214 1.402 10 0 ADAERN Nc1cc(CCC2CC2)[nH]n1 306578706 345455800 /nfs/dbraw/zinc/45/58/00/345455800.db2.gz MKNDQJDVFUHOEV-UHFFFAOYSA-N 0 0 151.213 1.335 10 0 ADAERN CC(C)[C@H](O)C(=O)N1[C@@H](C)C[C@@H]1C 306578730 345455952 /nfs/dbraw/zinc/45/59/52/345455952.db2.gz MLJZDQBSDYHPSR-CIUDSAMLSA-N 0 0 185.267 1.013 10 0 ADAERN CC(C)[C@H](O)C(=O)N1[C@H](C)C[C@H]1C 306578731 345455966 /nfs/dbraw/zinc/45/59/66/345455966.db2.gz MLJZDQBSDYHPSR-HLTSFMKQSA-N 0 0 185.267 1.013 10 0 ADAERN c1ncc(NCc2cocn2)cn1 306579351 345456205 /nfs/dbraw/zinc/45/62/05/345456205.db2.gz NAUSFGQFGSJWRH-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN Cc1nc(-c2ccco2)oc1CO 306579265 345456215 /nfs/dbraw/zinc/45/62/15/345456215.db2.gz MVLLUFKLANLCII-UHFFFAOYSA-N 0 0 179.175 1.735 10 0 ADAERN Cc1noc(N[C@@H]2CSC[C@H]2C)n1 306579004 345456272 /nfs/dbraw/zinc/45/62/72/345456272.db2.gz MPBBILKXFADAGO-IYSWYEEDSA-N 0 0 199.279 1.541 10 0 ADAERN CC(C)[C@H](O)C(=O)N1[C@@H](C)C[C@H]1C 306578732 345456349 /nfs/dbraw/zinc/45/63/49/345456349.db2.gz MLJZDQBSDYHPSR-YIZRAAEISA-N 0 0 185.267 1.013 10 0 ADAERN C[C@H]1[C@H](C)CCN1C(=O)C1=CCC1 306578856 345456375 /nfs/dbraw/zinc/45/63/75/345456375.db2.gz WPLOEDNZHHMZBT-BDAKNGLRSA-N 0 0 179.263 1.964 10 0 ADAERN C[C@H]1CCN(C(=O)C2=CCC2)[C@H]1C 306578858 345456406 /nfs/dbraw/zinc/45/64/06/345456406.db2.gz WPLOEDNZHHMZBT-IUCAKERBSA-N 0 0 179.263 1.964 10 0 ADAERN Cc1noc(N[C@H]2CSC[C@@H]2C)n1 306579003 345456553 /nfs/dbraw/zinc/45/65/53/345456553.db2.gz MPBBILKXFADAGO-FSPLSTOPSA-N 0 0 199.279 1.541 10 0 ADAERN Cc1noc(N[C@@H]2CSC[C@@H]2C)n1 306579000 345456535 /nfs/dbraw/zinc/45/65/35/345456535.db2.gz MPBBILKXFADAGO-CAHLUQPWSA-N 0 0 199.279 1.541 10 0 ADAERN Cn1nc(CCC2CC2)[nH]c1=S 306579259 345456548 /nfs/dbraw/zinc/45/65/48/345456548.db2.gz MUVCCUTVKBUKOS-UHFFFAOYSA-N 0 0 183.280 1.446 10 0 ADAERN Cc1noc(N[C@H]2CSC[C@H]2C)n1 306579006 345456588 /nfs/dbraw/zinc/45/65/88/345456588.db2.gz MPBBILKXFADAGO-VDTYLAMSSA-N 0 0 199.279 1.541 10 0 ADAERN CC(C)N1C(=O)CNC12CCCC2 306579486 345456760 /nfs/dbraw/zinc/45/67/60/345456760.db2.gz XHXHLLZDSVPNAH-UHFFFAOYSA-N 0 0 182.267 1.097 10 0 ADAERN CCON(C)c1cccc(C)c1N 306579589 345456839 /nfs/dbraw/zinc/45/68/39/345456839.db2.gz NCTBJMQESBXYLK-UHFFFAOYSA-N 0 0 180.251 1.965 10 0 ADAERN O=C1N[C@@H](C2CC2)Cn2cccc21 306579464 345456882 /nfs/dbraw/zinc/45/68/82/345456882.db2.gz XFICEVHCFAGVOT-MRVPVSSYSA-N 0 0 176.219 1.010 10 0 ADAERN O=C1N[C@H](C2CC2)Cn2cccc21 306579465 345456930 /nfs/dbraw/zinc/45/69/30/345456930.db2.gz XFICEVHCFAGVOT-QMMMGPOBSA-N 0 0 176.219 1.010 10 0 ADAERN Cc1nnc(C(=O)[C@@H](C)C(C)C)n1C 306580315 345457150 /nfs/dbraw/zinc/45/71/50/345457150.db2.gz OJVHHTNDUNPKRI-ZETCQYMHSA-N 0 0 195.266 1.598 10 0 ADAERN O=c1[nH]ccnc1-c1ccns1 306580380 345457170 /nfs/dbraw/zinc/45/71/70/345457170.db2.gz NTUFMNRJOHUDOS-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN CC1(F)CN([C@H]2CCCC[C@H]2O)C1 306580220 345457178 /nfs/dbraw/zinc/45/71/78/345457178.db2.gz YGKDRXODSKQPIK-DTWKUNHWSA-N 0 0 187.258 1.334 10 0 ADAERN CC1(F)CN([C@@H]2CCCC[C@H]2O)C1 306580222 345457197 /nfs/dbraw/zinc/45/71/97/345457197.db2.gz YGKDRXODSKQPIK-RKDXNWHRSA-N 0 0 187.258 1.334 10 0 ADAERN O=C(C[C@H]1CCOC1)c1ccncc1 306580030 345457283 /nfs/dbraw/zinc/45/72/83/345457283.db2.gz NLIQWJJRNJKSPQ-SECBINFHSA-N 0 0 191.230 1.691 10 0 ADAERN CC1(F)CN([C@H]2CCCC[C@@H]2O)C1 306580221 345457296 /nfs/dbraw/zinc/45/72/96/345457296.db2.gz YGKDRXODSKQPIK-IUCAKERBSA-N 0 0 187.258 1.334 10 0 ADAERN CC1(F)CN([C@@H]2CCCC[C@@H]2O)C1 306580219 345457318 /nfs/dbraw/zinc/45/73/18/345457318.db2.gz YGKDRXODSKQPIK-BDAKNGLRSA-N 0 0 187.258 1.334 10 0 ADAERN O=C(C[C@@H]1CCOC1)c1ccncc1 306580031 345457325 /nfs/dbraw/zinc/45/73/25/345457325.db2.gz NLIQWJJRNJKSPQ-VIFPVBQESA-N 0 0 191.230 1.691 10 0 ADAERN Cc1nnc(C(=O)[C@H](C)C(C)C)n1C 306580314 345457382 /nfs/dbraw/zinc/45/73/82/345457382.db2.gz OJVHHTNDUNPKRI-SSDOTTSWSA-N 0 0 195.266 1.598 10 0 ADAERN Cc1cnccc1CCn1cncn1 306580018 345457402 /nfs/dbraw/zinc/45/74/02/345457402.db2.gz NZSICLMWGWKDKK-UHFFFAOYSA-N 0 0 188.234 1.224 10 0 ADAERN O=Cc1cncn1[C@H]1C[C@@H]2C[C@@H]2C1 306580115 345457404 /nfs/dbraw/zinc/45/74/04/345457404.db2.gz NQWNFABGVWLUOI-AYMMMOKOSA-N 0 0 176.219 1.667 10 0 ADAERN C[C@@H]1C=C[C@@H](O)[C@H](C)C1 306580050 345457408 /nfs/dbraw/zinc/45/74/08/345457408.db2.gz NMIUEYQMCQZERY-BWZBUEFSSA-N 0 0 126.199 1.579 10 0 ADAERN Fc1ccc(CN2CCCN2)c(F)c1 306580799 345457714 /nfs/dbraw/zinc/45/77/14/345457714.db2.gz OTCNTJFFFRXSRA-UHFFFAOYSA-N 0 0 198.216 1.675 10 0 ADAERN CC1(C)C[C@@H]1c1cc(CO)no1 306580871 345457837 /nfs/dbraw/zinc/45/78/37/345457837.db2.gz PAWUEGOFUMMZDU-SSDOTTSWSA-N 0 0 167.208 1.680 10 0 ADAERN Cc1nc(-c2ncc(N)cn2)co1 306580765 345457859 /nfs/dbraw/zinc/45/78/59/345457859.db2.gz YWOLWDDTZCYGHZ-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O=C(c1ccns1)C1(O)CCCC1 306581373 345458303 /nfs/dbraw/zinc/45/83/03/345458303.db2.gz POWMBIWALYRRHJ-UHFFFAOYSA-N 0 0 197.259 1.631 10 0 ADAERN COc1ncc(NC2CSC2)cn1 306580968 345458408 /nfs/dbraw/zinc/45/84/08/345458408.db2.gz OFHTYNODUKPLFS-UHFFFAOYSA-N 0 0 197.263 1.013 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)C2CC2)[C@@H]1C 306581845 345458678 /nfs/dbraw/zinc/45/86/78/345458678.db2.gz QBQBKEUYXDLIQF-BHNWBGBOSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1NC(=O)C1CC1 306581847 345458892 /nfs/dbraw/zinc/45/88/92/345458892.db2.gz QBQBKEUYXDLIQF-BKPPORCPSA-N 0 0 167.252 1.557 10 0 ADAERN O=C(NCC1CC1)C(F)(F)Cl 306581595 345458933 /nfs/dbraw/zinc/45/89/33/345458933.db2.gz ZNQBYKWCFCZMSQ-UHFFFAOYSA-N 0 0 183.585 1.344 10 0 ADAERN C[C@@H]1[C@@H](NC(=O)C2CC2)C[C@H]1C 306581848 345458945 /nfs/dbraw/zinc/45/89/45/345458945.db2.gz QBQBKEUYXDLIQF-FJXKBIBVSA-N 0 0 167.252 1.557 10 0 ADAERN CCON(C)c1ncc(C)cc1N 306581502 345458948 /nfs/dbraw/zinc/45/89/48/345458948.db2.gz OSCGBRAAEULIAK-UHFFFAOYSA-N 0 0 181.239 1.360 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)C2CC2)[C@@H]1C 306581850 345458986 /nfs/dbraw/zinc/45/89/86/345458986.db2.gz QBQBKEUYXDLIQF-ZXFLCMHBSA-N 0 0 167.252 1.557 10 0 ADAERN Cc1nc(C)c(NO)nc1C 306582432 345459070 /nfs/dbraw/zinc/45/90/70/345459070.db2.gz PFTLKAUZINWGJD-UHFFFAOYSA-N 0 0 153.185 1.203 10 0 ADAERN Nc1ccc(CO)nc1C(F)(F)F 306582195 345459288 /nfs/dbraw/zinc/45/92/88/345459288.db2.gz BXFMXLZFGFIKLU-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN Cc1nnc([C@]2(O)C=CCCC2)n1C 306582314 345459311 /nfs/dbraw/zinc/45/93/11/345459311.db2.gz QFDJVYHGKWTCIX-JTQLQIEISA-N 0 0 193.250 1.051 10 0 ADAERN Cc1ccc(C(=O)c2cnccn2)nc1 306582334 345459366 /nfs/dbraw/zinc/45/93/66/345459366.db2.gz QFSFAUOVKUDPRI-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN Cc1nnc([C@@]2(O)C=CCCC2)n1C 306582317 345459404 /nfs/dbraw/zinc/45/94/04/345459404.db2.gz QFDJVYHGKWTCIX-SNVBAGLBSA-N 0 0 193.250 1.051 10 0 ADAERN C[C@@H](c1ccccc1)N1C[C@H](O)CO1 306582692 345459969 /nfs/dbraw/zinc/45/99/69/345459969.db2.gz IGADNUWPMZEKME-ONGXEEELSA-N 0 0 193.246 1.356 10 0 ADAERN C[C@H](c1ccccc1)N1C[C@H](O)CO1 306582690 345460032 /nfs/dbraw/zinc/46/00/32/345460032.db2.gz IGADNUWPMZEKME-KOLCDFICSA-N 0 0 193.246 1.356 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@@H]1C1CCC1 306583209 345460353 /nfs/dbraw/zinc/46/03/53/345460353.db2.gz PNIPPHGYZGHVIH-UJNFCWOMSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@@H]1C1CCC1 306583206 345460372 /nfs/dbraw/zinc/46/03/72/345460372.db2.gz PNIPPHGYZGHVIH-FKTZTGRPSA-N 0 0 181.279 1.947 10 0 ADAERN Cn1cnc(C(=O)c2ccncc2)c1 306583626 345460453 /nfs/dbraw/zinc/46/04/53/345460453.db2.gz FNHYASCBIPOWIK-UHFFFAOYSA-N 0 0 187.202 1.046 10 0 ADAERN O=C([O-])C1C[NH+](CC2=CCCC2)C1 306583286 345460478 /nfs/dbraw/zinc/46/04/78/345460478.db2.gz PPKRFMJCHCLUGE-UHFFFAOYSA-N 0 0 181.235 1.113 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@H]1C1CCC1 306583207 345460543 /nfs/dbraw/zinc/46/05/43/345460543.db2.gz PNIPPHGYZGHVIH-HGNGGELXSA-N 0 0 181.279 1.947 10 0 ADAERN CCc1nc(CN2CCCN2)cs1 306583939 345460845 /nfs/dbraw/zinc/46/08/45/345460845.db2.gz RJEKDZRLUQPQST-UHFFFAOYSA-N 0 0 197.307 1.416 10 0 ADAERN Cc1nc(C(C)(C)C)oc1CO 306583743 345461085 /nfs/dbraw/zinc/46/10/85/345461085.db2.gz PTAIAZNGFOSLTK-UHFFFAOYSA-N 0 0 169.224 1.773 10 0 ADAERN O=C([O-])c1c[nH+]ccc1NCCF 306584363 345461333 /nfs/dbraw/zinc/46/13/33/345461333.db2.gz RRJFBHWZNACOQH-UHFFFAOYSA-N 0 0 184.170 1.161 10 0 ADAERN C[C@@H]1C[C@H](NC(=S)NC2CC2)[C@@H]1C 306584757 345461420 /nfs/dbraw/zinc/46/14/20/345461420.db2.gz SCOHVPTZNQBYPF-BHNWBGBOSA-N 0 0 198.335 1.657 10 0 ADAERN CC(C)(C)SCCNC#N 306584328 345461431 /nfs/dbraw/zinc/46/14/31/345461431.db2.gz RPPAMTXXMVWKHG-UHFFFAOYSA-N 0 0 158.270 1.589 10 0 ADAERN C[C@@H]([C@H]1CC1(C)C)N1C(=O)C=CC1=O 306584676 345461443 /nfs/dbraw/zinc/46/14/43/345461443.db2.gz RXSLSUXJNNMCOY-JGVFFNPUSA-N 0 0 193.246 1.346 10 0 ADAERN COc1cc(F)c(F)c(C(N)=O)c1 306584569 345461446 /nfs/dbraw/zinc/46/14/46/345461446.db2.gz QHBJFCFNXNRYMK-UHFFFAOYSA-N 0 0 187.145 1.072 10 0 ADAERN O=C1C[C@H](O)CN1CC1=CCCCC1 306584862 345461464 /nfs/dbraw/zinc/46/14/64/345461464.db2.gz GTZYHLDIGKAJTI-JTQLQIEISA-N 0 0 195.262 1.080 10 0 ADAERN C/C(=C1\CC(=O)NC1=O)[C@H]1CC1(C)C 306584651 345461481 /nfs/dbraw/zinc/46/14/81/345461481.db2.gz RWJJLUFNHPWJII-NFXKFNAJSA-N 0 0 193.246 1.396 10 0 ADAERN O=C(c1ccns1)C1CCOCC1 306584376 345461483 /nfs/dbraw/zinc/46/14/83/345461483.db2.gz RTBKBJRCAUCNOE-UHFFFAOYSA-N 0 0 197.259 1.752 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1NC(=S)NC1CC1 306584758 345461493 /nfs/dbraw/zinc/46/14/93/345461493.db2.gz SCOHVPTZNQBYPF-BKPPORCPSA-N 0 0 198.335 1.657 10 0 ADAERN O=C1CSC(c2cccc(O)c2)=N1 306584718 345461496 /nfs/dbraw/zinc/46/14/96/345461496.db2.gz JTOWRXHDJKBECN-UHFFFAOYSA-N 0 0 193.227 1.412 10 0 ADAERN C[C@H]([C@H]1CC1(C)C)N1C(=O)C=CC1=O 306584674 345461548 /nfs/dbraw/zinc/46/15/48/345461548.db2.gz RXSLSUXJNNMCOY-HTQZYQBOSA-N 0 0 193.246 1.346 10 0 ADAERN C[C@@H]([C@@H]1CC1(C)C)N1C(=O)C=CC1=O 306584678 345461608 /nfs/dbraw/zinc/46/16/08/345461608.db2.gz RXSLSUXJNNMCOY-YUMQZZPRSA-N 0 0 193.246 1.346 10 0 ADAERN C/C(=C1\CC(=O)NC1=O)[C@@H]1CC1(C)C 306584652 345461613 /nfs/dbraw/zinc/46/16/13/345461613.db2.gz RWJJLUFNHPWJII-UAPHAKCISA-N 0 0 193.246 1.396 10 0 ADAERN COCC(=O)c1cnc(C)cc1C 306584659 345461641 /nfs/dbraw/zinc/46/16/41/345461641.db2.gz RXDHCZQQDFSTBM-UHFFFAOYSA-N 0 0 179.219 1.528 10 0 ADAERN C[C@H]([C@@H]1CC1(C)C)N1C(=O)C=CC1=O 306584677 345461652 /nfs/dbraw/zinc/46/16/52/345461652.db2.gz RXSLSUXJNNMCOY-SFYZADRCSA-N 0 0 193.246 1.346 10 0 ADAERN C[C@@H]1[C@@H](NC(=S)NC2CC2)C[C@H]1C 306585031 345461925 /nfs/dbraw/zinc/46/19/25/345461925.db2.gz SCOHVPTZNQBYPF-FJXKBIBVSA-N 0 0 198.335 1.657 10 0 ADAERN C[C@@H]1C[C@@H](NC(=S)NC2CC2)[C@@H]1C 306585032 345461935 /nfs/dbraw/zinc/46/19/35/345461935.db2.gz SCOHVPTZNQBYPF-ZXFLCMHBSA-N 0 0 198.335 1.657 10 0 ADAERN C[C@]1([C@H]2CCCO2)CCC(=O)NC1 306585473 345462076 /nfs/dbraw/zinc/46/20/76/345462076.db2.gz KESDOONWXWULKU-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN CCC1(NC(=O)N2CCCC2)CC1 306584965 345462113 /nfs/dbraw/zinc/46/21/13/345462113.db2.gz GZMQNXTXTGJTTB-UHFFFAOYSA-N 0 0 182.267 1.734 10 0 ADAERN O=C(CC1=CCCC1)[C@@H]1COCCN1 306585301 345462118 /nfs/dbraw/zinc/46/21/18/345462118.db2.gz QTOOEIKLTMQVFV-JTQLQIEISA-N 0 0 195.262 1.044 10 0 ADAERN Cc1nocc1Cn1cccc1C=O 306585212 345462176 /nfs/dbraw/zinc/46/21/76/345462176.db2.gz QPIGHKBIPGLQJX-UHFFFAOYSA-N 0 0 190.202 1.645 10 0 ADAERN O=C(c1cncnc1)c1ccns1 306585126 345462223 /nfs/dbraw/zinc/46/22/23/345462223.db2.gz SKTRKITVZUGJFF-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN C[C@]1([C@@H]2CCCO2)CCC(=O)NC1 306585476 345462236 /nfs/dbraw/zinc/46/22/36/345462236.db2.gz KESDOONWXWULKU-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@]1([C@@H]2CCCO2)CCC(=O)NC1 306585475 345462242 /nfs/dbraw/zinc/46/22/42/345462242.db2.gz KESDOONWXWULKU-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@]1([C@H]2CCCO2)CCC(=O)NC1 306585472 345462297 /nfs/dbraw/zinc/46/22/97/345462297.db2.gz KESDOONWXWULKU-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN O=C(CC1=CCCC1)[C@H]1COCCN1 306585303 345462328 /nfs/dbraw/zinc/46/23/28/345462328.db2.gz QTOOEIKLTMQVFV-SNVBAGLBSA-N 0 0 195.262 1.044 10 0 ADAERN C[C@]1(C(=O)NCC2CC2)CCCO1 306585995 345462447 /nfs/dbraw/zinc/46/24/47/345462447.db2.gz KRPCEZCGZXGNMG-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN N[C@H](c1cscn1)C(F)F 306585756 345462450 /nfs/dbraw/zinc/46/24/50/345462450.db2.gz QZSBDETXBDMXMM-SCSAIBSYSA-N 0 0 164.180 1.408 10 0 ADAERN Nc1ccc(-c2ccns2)cn1 306585684 345462479 /nfs/dbraw/zinc/46/24/79/345462479.db2.gz QUZYDSHLRFPFBS-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN C[C@H]([C@@H]1CC1(C)C)N1CCC(=O)C1=O 306586051 345462565 /nfs/dbraw/zinc/46/25/65/345462565.db2.gz TUJALFHKRCJSMX-SFYZADRCSA-N 0 0 195.262 1.222 10 0 ADAERN CC(C)(C)[C@@H](NN)c1ccsn1 306585908 345462567 /nfs/dbraw/zinc/46/25/67/345462567.db2.gz STPMVJVXJLOTPH-ZETCQYMHSA-N 0 0 185.296 1.694 10 0 ADAERN CO[C@H](C)c1nc(C)c(CO)o1 306586107 345462637 /nfs/dbraw/zinc/46/26/37/345462637.db2.gz RBXNFOGERMNVQL-ZCFIWIBFSA-N 0 0 171.196 1.183 10 0 ADAERN C[C@@H]([C@H]1CC1(C)C)N1CCC(=O)C1=O 306586050 345462646 /nfs/dbraw/zinc/46/26/46/345462646.db2.gz TUJALFHKRCJSMX-JGVFFNPUSA-N 0 0 195.262 1.222 10 0 ADAERN COC[C@H](O)c1cnc(C)cc1C 306585637 345462652 /nfs/dbraw/zinc/46/26/52/345462652.db2.gz SRAGRROVEXATDJ-JTQLQIEISA-N 0 0 181.235 1.378 10 0 ADAERN CO[C@@H](C)c1nc(C)c(CO)o1 306586106 345462716 /nfs/dbraw/zinc/46/27/16/345462716.db2.gz RBXNFOGERMNVQL-LURJTMIESA-N 0 0 171.196 1.183 10 0 ADAERN COC[C@@H](O)c1cnc(C)cc1C 306585638 345462732 /nfs/dbraw/zinc/46/27/32/345462732.db2.gz SRAGRROVEXATDJ-SNVBAGLBSA-N 0 0 181.235 1.378 10 0 ADAERN Cc1cc(N2CCC(=O)C2)cc(C)n1 306586089 345462742 /nfs/dbraw/zinc/46/27/42/345462742.db2.gz RBHZFBBCPAFBES-UHFFFAOYSA-N 0 0 190.246 1.478 10 0 ADAERN C[C@H]([C@H]1CC1(C)C)N1CCC(=O)C1=O 306586049 345462748 /nfs/dbraw/zinc/46/27/48/345462748.db2.gz TUJALFHKRCJSMX-HTQZYQBOSA-N 0 0 195.262 1.222 10 0 ADAERN N[C@@H](c1cscn1)C(F)F 306585755 345462789 /nfs/dbraw/zinc/46/27/89/345462789.db2.gz QZSBDETXBDMXMM-BYPYZUCNSA-N 0 0 164.180 1.408 10 0 ADAERN C[C@@H]([C@@H]1CC1(C)C)N1CCC(=O)C1=O 306586052 345462814 /nfs/dbraw/zinc/46/28/14/345462814.db2.gz TUJALFHKRCJSMX-YUMQZZPRSA-N 0 0 195.262 1.222 10 0 ADAERN C[C@H]1CCC[C@@H](CCNN)C1 306586518 345463063 /nfs/dbraw/zinc/46/30/63/345463063.db2.gz LELQDPREXCUKAH-IUCAKERBSA-N 0 0 156.273 1.666 10 0 ADAERN C[C@H]1CCC[C@H](CCNN)C1 306586517 345463144 /nfs/dbraw/zinc/46/31/44/345463144.db2.gz LELQDPREXCUKAH-DTWKUNHWSA-N 0 0 156.273 1.666 10 0 ADAERN C[C@@H]1CCC[C@@H](CCNN)C1 306586516 345463181 /nfs/dbraw/zinc/46/31/81/345463181.db2.gz LELQDPREXCUKAH-BDAKNGLRSA-N 0 0 156.273 1.666 10 0 ADAERN O[C@H]1C=C(c2ccns2)CC1 306586697 345463217 /nfs/dbraw/zinc/46/32/17/345463217.db2.gz RONSQXIZJDNUJL-SSDOTTSWSA-N 0 0 167.233 1.681 10 0 ADAERN Cc1nc(C)c(F)c(NC[C@H](C)O)n1 306586505 345463230 /nfs/dbraw/zinc/46/32/30/345463230.db2.gz LDCWWJHHRDHUMJ-YFKPBYRVSA-N 0 0 199.229 1.025 10 0 ADAERN CC1(C)C[C@@](O)(C2=COCCC2)CO1 306586419 345463255 /nfs/dbraw/zinc/46/32/55/345463255.db2.gz RITSOMJUESPKTM-NSHDSACASA-N 0 0 198.262 1.611 10 0 ADAERN C[C@@H]1CCC[C@H](CCNN)C1 306586519 345463323 /nfs/dbraw/zinc/46/33/23/345463323.db2.gz LELQDPREXCUKAH-RKDXNWHRSA-N 0 0 156.273 1.666 10 0 ADAERN CC1(C)C[C@](O)(C2=COCCC2)CO1 306586418 345463370 /nfs/dbraw/zinc/46/33/70/345463370.db2.gz RITSOMJUESPKTM-LLVKDONJSA-N 0 0 198.262 1.611 10 0 ADAERN Cc1cc([C@H]2CC2(C)C)nc(N)n1 306586328 345463419 /nfs/dbraw/zinc/46/34/19/345463419.db2.gz RFVPBCAIBYZWLO-SSDOTTSWSA-N 0 0 177.251 1.881 10 0 ADAERN Cc1cc([C@@H]2CC2(C)C)nc(N)n1 306586330 345463461 /nfs/dbraw/zinc/46/34/61/345463461.db2.gz RFVPBCAIBYZWLO-ZETCQYMHSA-N 0 0 177.251 1.881 10 0 ADAERN O[C@@H]1C=C(c2ccns2)CC1 306586698 345463464 /nfs/dbraw/zinc/46/34/64/345463464.db2.gz RONSQXIZJDNUJL-ZETCQYMHSA-N 0 0 167.233 1.681 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@@H+]1CCC2(CC2)C1 306586936 345463821 /nfs/dbraw/zinc/46/38/21/345463821.db2.gz RSSIKVAIJCANCV-BDAKNGLRSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](C)[N@@H+]1CCC2(CC2)C1 306586940 345463836 /nfs/dbraw/zinc/46/38/36/345463836.db2.gz RSSIKVAIJCANCV-IUCAKERBSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@]1(O)CCC[C@@]1(C)C(N)=S 306587040 345463844 /nfs/dbraw/zinc/46/38/44/345463844.db2.gz LTZNRDGWSPMUBS-YUMQZZPRSA-N 0 0 173.281 1.214 10 0 ADAERN C[C@@]1(O)CCC[C@@]1(C)C(N)=S 306587038 345463847 /nfs/dbraw/zinc/46/38/47/345463847.db2.gz LTZNRDGWSPMUBS-JGVFFNPUSA-N 0 0 173.281 1.214 10 0 ADAERN Cc1cocc1[C@@H](O)c1ccnn1C 306586993 345463871 /nfs/dbraw/zinc/46/38/71/345463871.db2.gz RUSYQSUELVWIPN-SNVBAGLBSA-N 0 0 192.218 1.403 10 0 ADAERN C[C@]1(O)CCC[C@]1(C)C(N)=S 306587039 345463874 /nfs/dbraw/zinc/46/38/74/345463874.db2.gz LTZNRDGWSPMUBS-SFYZADRCSA-N 0 0 173.281 1.214 10 0 ADAERN Cc1cocc1[C@H](O)c1ccnn1C 306586991 345463893 /nfs/dbraw/zinc/46/38/93/345463893.db2.gz RUSYQSUELVWIPN-JTQLQIEISA-N 0 0 192.218 1.403 10 0 ADAERN CNC(=O)CC1(O)CCCCCC1 306586798 345463973 /nfs/dbraw/zinc/46/39/73/345463973.db2.gz LOWPDYYRVSVRBZ-UHFFFAOYSA-N 0 0 185.267 1.208 10 0 ADAERN Cc1cnn(C)c1[C@@H]1CCCC1=O 306587082 345463994 /nfs/dbraw/zinc/46/39/94/345463994.db2.gz LZGDDILUNGXFFF-MRVPVSSYSA-N 0 0 178.235 1.565 10 0 ADAERN C[C@]1(C(N)=S)CCC[C@@]1(C)O 306587037 345464034 /nfs/dbraw/zinc/46/40/34/345464034.db2.gz LTZNRDGWSPMUBS-HTQZYQBOSA-N 0 0 173.281 1.214 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCC2(CC2)C1 306586938 345464036 /nfs/dbraw/zinc/46/40/36/345464036.db2.gz RSSIKVAIJCANCV-DTWKUNHWSA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCC2(CC2)C1 306586942 345464043 /nfs/dbraw/zinc/46/40/43/345464043.db2.gz RSSIKVAIJCANCV-RKDXNWHRSA-N 0 0 197.278 1.582 10 0 ADAERN O=C(c1ccns1)[C@@H]1[C@H]2COC[C@H]21 306586933 345464064 /nfs/dbraw/zinc/46/40/64/345464064.db2.gz UMSDLFOLENFTBJ-BDINMYNLSA-N 0 0 195.243 1.218 10 0 ADAERN CS/C=C/C(=O)N[C@@H]1C[C@H]1C 306586746 345464085 /nfs/dbraw/zinc/46/40/85/345464085.db2.gz LHKYCJMKHCUMJA-KYNVUQBWSA-N 0 0 171.265 1.388 10 0 ADAERN Cc1nnc(C(=O)C2CCCC2)n1C 306587016 345464091 /nfs/dbraw/zinc/46/40/91/345464091.db2.gz UOXSRKYINCLKKK-UHFFFAOYSA-N 0 0 193.250 1.496 10 0 ADAERN CC(C)=CCCN1C(=O)C=C(C)C1=O 306586731 345464107 /nfs/dbraw/zinc/46/41/07/345464107.db2.gz RQMAYVGBEGZLEZ-UHFFFAOYSA-N 0 0 193.246 1.658 10 0 ADAERN Cc1cnn(C)c1[C@H]1CCCC1=O 306587083 345464112 /nfs/dbraw/zinc/46/41/12/345464112.db2.gz LZGDDILUNGXFFF-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN Cc1cnc(C(=O)N2CCSC2)o1 306586804 345464116 /nfs/dbraw/zinc/46/41/16/345464116.db2.gz LPDSMLCFKDVVOO-UHFFFAOYSA-N 0 0 198.247 1.130 10 0 ADAERN C1=C(CNc2ncns2)CCOC1 306587657 345464343 /nfs/dbraw/zinc/46/43/43/345464343.db2.gz SJSQAGIQMKUZOF-UHFFFAOYSA-N 0 0 197.263 1.297 10 0 ADAERN CC[C@]1(C)C[C@H]1Nc1cnc(N)cn1 306587602 345464372 /nfs/dbraw/zinc/46/43/72/345464372.db2.gz VDCUXIIKNYUJJI-GMSGAONNSA-N 0 0 192.266 1.659 10 0 ADAERN CC[C@@]1(C)C[C@@H]1Nc1cnc(N)cn1 306587605 345464427 /nfs/dbraw/zinc/46/44/27/345464427.db2.gz VDCUXIIKNYUJJI-XVKPBYJWSA-N 0 0 192.266 1.659 10 0 ADAERN CC1N=NC(=S)N1[C@H]1C[C@@H]2C[C@@H]2C1 306587166 345464432 /nfs/dbraw/zinc/46/44/32/345464432.db2.gz RYQDTXKSYTVVFC-RNLVFQAGSA-N 0 0 195.291 1.846 10 0 ADAERN C[C@@H]1C[C@@H]([C@H](O)c2ccns2)CO1 306587223 345464488 /nfs/dbraw/zinc/46/44/88/345464488.db2.gz SBWHHDFUBYLOBD-BHNWBGBOSA-N 0 0 199.275 1.602 10 0 ADAERN CC[C@]1(C)C[C@@H]1Nc1cnc(N)cn1 306587603 345464511 /nfs/dbraw/zinc/46/45/11/345464511.db2.gz VDCUXIIKNYUJJI-OIBJUYFYSA-N 0 0 192.266 1.659 10 0 ADAERN Fc1cc(OC(F)F)c(F)cn1 306587576 345464523 /nfs/dbraw/zinc/46/45/23/345464523.db2.gz VACSMJDMLVXLNO-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN C[C@@H]1C[C@@H]([C@@H](O)c2ccns2)CO1 306587226 345464587 /nfs/dbraw/zinc/46/45/87/345464587.db2.gz SBWHHDFUBYLOBD-ZXFLCMHBSA-N 0 0 199.275 1.602 10 0 ADAERN Cn1ccc([C@H](N)C(C)(F)F)n1 306587821 345465040 /nfs/dbraw/zinc/46/50/40/345465040.db2.gz AGHSMWFRVDQPMF-LURJTMIESA-N 0 0 175.182 1.075 10 0 ADAERN CC[C@@]1(C)C[C@H]1Nc1cnc(N)cn1 306587604 345464674 /nfs/dbraw/zinc/46/46/74/345464674.db2.gz VDCUXIIKNYUJJI-XCBNKYQSSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@@H]1C[C@H]([C@H](O)c2ccns2)CO1 306587225 345464699 /nfs/dbraw/zinc/46/46/99/345464699.db2.gz SBWHHDFUBYLOBD-FJXKBIBVSA-N 0 0 199.275 1.602 10 0 ADAERN C[C@@H]1C[C@H]([C@@H](O)c2ccns2)CO1 306587224 345464758 /nfs/dbraw/zinc/46/47/58/345464758.db2.gz SBWHHDFUBYLOBD-BKPPORCPSA-N 0 0 199.275 1.602 10 0 ADAERN OC[C@@]1(O)CCCC12CCCC2 306588685 345465562 /nfs/dbraw/zinc/46/55/62/345465562.db2.gz TXTRAJXIAUVMOH-JTQLQIEISA-N 0 0 170.252 1.454 10 0 ADAERN Cc1nnc(C2=C[C@H](O)CCC2)n1C 306588127 345465090 /nfs/dbraw/zinc/46/50/90/345465090.db2.gz VKVSJVKQJQVKOL-SECBINFHSA-N 0 0 193.250 1.052 10 0 ADAERN Cc1cc([C@H](NN)[C@H]2C[C@H]2C)sn1 306588136 345464986 /nfs/dbraw/zinc/46/49/86/345464986.db2.gz VLKOIHKWJLUGAJ-XZKCWBSRSA-N 0 0 197.307 1.612 10 0 ADAERN Cn1ccc([C@@H](N)C(C)(F)F)n1 306587822 345464996 /nfs/dbraw/zinc/46/49/96/345464996.db2.gz AGHSMWFRVDQPMF-ZCFIWIBFSA-N 0 0 175.182 1.075 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C[C@H]1C=CCC1 306587907 345465011 /nfs/dbraw/zinc/46/50/11/345465011.db2.gz MXQYRIMKETWDDB-KXUCPTDWSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C[C@@H]1C=CCC1 306587908 345465037 /nfs/dbraw/zinc/46/50/37/345465037.db2.gz MXQYRIMKETWDDB-OPRDCNLKSA-N 0 0 179.263 1.867 10 0 ADAERN Cc1cc([C@H](NN)[C@H]2C[C@@H]2C)sn1 306588135 345465054 /nfs/dbraw/zinc/46/50/54/345465054.db2.gz VLKOIHKWJLUGAJ-XWDQLLGVSA-N 0 0 197.307 1.612 10 0 ADAERN CN(C)C(=[NH2+])c1c([O-])cccc1Cl 306588378 345465111 /nfs/dbraw/zinc/46/51/11/345465111.db2.gz NGAPDXWXABSJIX-UHFFFAOYSA-N 0 0 198.653 1.933 10 0 ADAERN Cc1cc([C@H](NN)[C@@H]2C[C@@H]2C)sn1 306588133 345465138 /nfs/dbraw/zinc/46/51/38/345465138.db2.gz VLKOIHKWJLUGAJ-MTQIGAJGSA-N 0 0 197.307 1.612 10 0 ADAERN CNC(=O)Nc1sc(C)nc1C 306587887 345465151 /nfs/dbraw/zinc/46/51/51/345465151.db2.gz MUPRXFBKLOTNSX-UHFFFAOYSA-N 0 0 185.252 1.511 10 0 ADAERN Cc1nnc(C2=C[C@@H](O)CCC2)n1C 306588128 345465154 /nfs/dbraw/zinc/46/51/54/345465154.db2.gz VKVSJVKQJQVKOL-VIFPVBQESA-N 0 0 193.250 1.052 10 0 ADAERN CC(C)=CCCNc1nccc(N)n1 306588088 345465169 /nfs/dbraw/zinc/46/51/69/345465169.db2.gz SUHKZEQDXKHYDN-UHFFFAOYSA-N 0 0 192.266 1.827 10 0 ADAERN Cc1cc([C@H](NN)[C@@H]2C[C@H]2C)sn1 306588134 345465203 /nfs/dbraw/zinc/46/52/03/345465203.db2.gz VLKOIHKWJLUGAJ-SLBFFKMLSA-N 0 0 197.307 1.612 10 0 ADAERN C[C@H]1C[C@H](Nc2ccncn2)CS1 306588700 345465556 /nfs/dbraw/zinc/46/55/56/345465556.db2.gz TYMBSKZSFKGHIS-YUMQZZPRSA-N 0 0 195.291 1.783 10 0 ADAERN OC[C@]1(O)CCCC12CCCC2 306588686 345465559 /nfs/dbraw/zinc/46/55/59/345465559.db2.gz TXTRAJXIAUVMOH-SNVBAGLBSA-N 0 0 170.252 1.454 10 0 ADAERN Cc1cocc1[C@@H](C)NN 306588679 345465606 /nfs/dbraw/zinc/46/56/06/345465606.db2.gz TXLGWSGMTPBTBR-ZCFIWIBFSA-N 0 0 140.186 1.112 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ccncn2)CS1 306588697 345465608 /nfs/dbraw/zinc/46/56/08/345465608.db2.gz TYMBSKZSFKGHIS-HTQZYQBOSA-N 0 0 195.291 1.783 10 0 ADAERN C[C@@H]1C[C@H](Nc2ccncn2)CS1 306588699 345465617 /nfs/dbraw/zinc/46/56/17/345465617.db2.gz TYMBSKZSFKGHIS-SFYZADRCSA-N 0 0 195.291 1.783 10 0 ADAERN C[C@]12CC[C@H](O)[C@H]1C2(Cl)Cl 306588543 345465639 /nfs/dbraw/zinc/46/56/39/345465639.db2.gz VWLGEWVIEREFRP-JKUQZMGJSA-N 0 0 181.062 1.951 10 0 ADAERN Cc1nc(C(F)(F)F)c[nH]1 306588701 345465646 /nfs/dbraw/zinc/46/56/46/345465646.db2.gz TYOIOSRZULCHCT-BYPYZUCNSA-N 0 0 150.103 1.420 10 0 ADAERN Cc1nc(C(F)(F)F)c[nH]1 306588702 345465650 /nfs/dbraw/zinc/46/56/50/345465650.db2.gz TYOIOSRZULCHCT-SCSAIBSYSA-N 0 0 150.103 1.420 10 0 ADAERN CC[C@H](C)C(=O)Nc1ccncn1 306588898 345465661 /nfs/dbraw/zinc/46/56/61/345465661.db2.gz NXMOINYGTAMVCQ-ZETCQYMHSA-N 0 0 179.223 1.461 10 0 ADAERN C[C@H]1C[C@@H](Nc2ccncn2)CS1 306588698 345465697 /nfs/dbraw/zinc/46/56/97/345465697.db2.gz TYMBSKZSFKGHIS-JGVFFNPUSA-N 0 0 195.291 1.783 10 0 ADAERN O=C(c1ccns1)[C@@H]1CCCO1 306588805 345465722 /nfs/dbraw/zinc/46/57/22/345465722.db2.gz VYVCUFLEIWOGEW-LURJTMIESA-N 0 0 183.232 1.505 10 0 ADAERN Cc1cocc1[C@H](C)NN 306588678 345465729 /nfs/dbraw/zinc/46/57/29/345465729.db2.gz TXLGWSGMTPBTBR-LURJTMIESA-N 0 0 140.186 1.112 10 0 ADAERN O=C(c1ccns1)[C@H]1CCCO1 306588806 345465732 /nfs/dbraw/zinc/46/57/32/345465732.db2.gz VYVCUFLEIWOGEW-ZCFIWIBFSA-N 0 0 183.232 1.505 10 0 ADAERN CC[C@@H](C)C(=O)Nc1ccncn1 306588897 345465741 /nfs/dbraw/zinc/46/57/41/345465741.db2.gz NXMOINYGTAMVCQ-SSDOTTSWSA-N 0 0 179.223 1.461 10 0 ADAERN C[C@]12CC[C@@H](O)[C@H]1C2(Cl)Cl 306588544 345465795 /nfs/dbraw/zinc/46/57/95/345465795.db2.gz VWLGEWVIEREFRP-PBXRRBTRSA-N 0 0 181.062 1.951 10 0 ADAERN Cc1occc1-c1cc[nH]n1 306589125 345466175 /nfs/dbraw/zinc/46/61/75/345466175.db2.gz UEVDRKGDBSRWGP-UHFFFAOYSA-N 0 0 148.165 1.978 10 0 ADAERN CCc1nc(C(C)C)oc1CO 306589353 345466219 /nfs/dbraw/zinc/46/62/19/345466219.db2.gz UGEPOWZIXPSDLU-UHFFFAOYSA-N 0 0 169.224 1.853 10 0 ADAERN CC1(C)CN(c2cc(N)ns2)C1 306589388 345466242 /nfs/dbraw/zinc/46/62/42/345466242.db2.gz UICASNBPUMENIU-UHFFFAOYSA-N 0 0 183.280 1.572 10 0 ADAERN CCC=C(C)C(=O)Nc1c[nH]cn1 306589326 345466350 /nfs/dbraw/zinc/46/63/50/345466350.db2.gz OIVVUWVNYOCCIC-DAXSKMNVSA-N 0 0 179.223 1.705 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1C=CCCC1 306589235 345466368 /nfs/dbraw/zinc/46/63/68/345466368.db2.gz OBJUZSAINQNYPG-GUBZILKMSA-N 0 0 179.263 1.867 10 0 ADAERN Cc1nc(C(C)(C)C)c(CO)o1 306589364 345466420 /nfs/dbraw/zinc/46/64/20/345466420.db2.gz UGYCMKRMTZJVFP-UHFFFAOYSA-N 0 0 169.224 1.773 10 0 ADAERN COCn1ccc(Br)n1 306589299 345466423 /nfs/dbraw/zinc/46/64/23/345466423.db2.gz OHDSXMDBMSVZGF-UHFFFAOYSA-N 0 0 191.028 1.250 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1C=CCCC1 306589234 345466431 /nfs/dbraw/zinc/46/64/31/345466431.db2.gz OBJUZSAINQNYPG-AEJSXWLSSA-N 0 0 179.263 1.867 10 0 ADAERN CON(C)C(=O)[C@@H]1CC=CC[C@H]1C 306589325 345466529 /nfs/dbraw/zinc/46/65/29/345466529.db2.gz OIQXGNSRYLTHBB-RKDXNWHRSA-N 0 0 183.251 1.609 10 0 ADAERN CC(=O)N[C@H](C)[C@@H]1CC1(C)C 306589670 345466876 /nfs/dbraw/zinc/46/68/76/345466876.db2.gz UOAADMPGLBDMRO-SVRRBLITSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@@H](NC(=O)C1CC1)[C@@H]1CC1(C)C 306589698 345466880 /nfs/dbraw/zinc/46/68/80/345466880.db2.gz UPACEKRETDBNNF-APPZFPTMSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H](NC(=O)C1CC1)[C@H]1CC1(C)C 306589702 345466890 /nfs/dbraw/zinc/46/68/90/345466890.db2.gz UPACEKRETDBNNF-VXNVDRBHSA-N 0 0 181.279 1.947 10 0 ADAERN CC(=O)N[C@@H](C)[C@H]1CC1(C)C 306589668 345466904 /nfs/dbraw/zinc/46/69/04/345466904.db2.gz UOAADMPGLBDMRO-POYBYMJQSA-N 0 0 155.241 1.557 10 0 ADAERN Cn1cncc1[C@@H](O)CC1=CCCC1 306589746 345467057 /nfs/dbraw/zinc/46/70/57/345467057.db2.gz XFBFKNOFZLJTMP-NSHDSACASA-N 0 0 192.262 1.954 10 0 ADAERN C[C@@]1(Cn2cncc2C=O)CCOC1 306589800 345467071 /nfs/dbraw/zinc/46/70/71/345467071.db2.gz XIWFXQWDHWYVHT-JTQLQIEISA-N 0 0 194.234 1.122 10 0 ADAERN CC(=O)N[C@H](C)[C@H]1CC1(C)C 306589667 345467085 /nfs/dbraw/zinc/46/70/85/345467085.db2.gz UOAADMPGLBDMRO-HTRCEHHLSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@H](NC(=O)C1CC1)[C@H]1CC1(C)C 306589701 345467093 /nfs/dbraw/zinc/46/70/93/345467093.db2.gz UPACEKRETDBNNF-IONNQARKSA-N 0 0 181.279 1.947 10 0 ADAERN CC(=O)N[C@@H](C)[C@@H]1CC1(C)C 306589671 345467115 /nfs/dbraw/zinc/46/71/15/345467115.db2.gz UOAADMPGLBDMRO-XPUUQOCRSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@]1(Cn2cncc2C=O)CCOC1 306589801 345467137 /nfs/dbraw/zinc/46/71/37/345467137.db2.gz XIWFXQWDHWYVHT-SNVBAGLBSA-N 0 0 194.234 1.122 10 0 ADAERN Cn1cncc1[C@H](O)CC1=CCCC1 306589745 345467172 /nfs/dbraw/zinc/46/71/72/345467172.db2.gz XFBFKNOFZLJTMP-LLVKDONJSA-N 0 0 192.262 1.954 10 0 ADAERN C[C@H](NC(=O)C1CC1)[C@@H]1CC1(C)C 306589699 345467221 /nfs/dbraw/zinc/46/72/21/345467221.db2.gz UPACEKRETDBNNF-CBAPKCEASA-N 0 0 181.279 1.947 10 0 ADAERN Cc1nc(SCc2ncc[nH]2)n[nH]1 306590258 345467524 /nfs/dbraw/zinc/46/75/24/345467524.db2.gz VAGLOVCEICGUJO-UHFFFAOYSA-N 0 0 195.251 1.129 10 0 ADAERN Cc1nc(C2CC2)oc1CO 306590215 345467540 /nfs/dbraw/zinc/46/75/40/345467540.db2.gz UXXANEJRCJCAIQ-UHFFFAOYSA-N 0 0 153.181 1.353 10 0 ADAERN C[C@@H]([C@H]1CC1(C)C)N(C)N 306590818 345468130 /nfs/dbraw/zinc/46/81/30/345468130.db2.gz YCPKYFMHADLNBW-NKWVEPMBSA-N 0 0 142.246 1.227 10 0 ADAERN C[C@H]([C@H]1CC1(C)C)N(C)N 306590819 345468159 /nfs/dbraw/zinc/46/81/59/345468159.db2.gz YCPKYFMHADLNBW-RNFRBKRXSA-N 0 0 142.246 1.227 10 0 ADAERN COC(=O)N[C@@H]1C[C@H]1C1CC1 306590792 345468220 /nfs/dbraw/zinc/46/82/20/345468220.db2.gz ALZRXJIUYDFRJE-NKWVEPMBSA-N 0 0 155.197 1.141 10 0 ADAERN OCC1(C[C@@H]2CCOC2)CC1 306590807 345468253 /nfs/dbraw/zinc/46/82/53/345468253.db2.gz YBORPRJGTOQQNU-QMMMGPOBSA-N 0 0 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/nfs/dbraw/zinc/46/92/44/345469244.db2.gz ZFCYJRPNHBWCKL-VXNVDRBHSA-N 0 0 170.256 1.494 10 0 ADAERN CCNC(=O)N[C@H]1C[C@@]1(C)CC 306592208 345469268 /nfs/dbraw/zinc/46/92/68/345469268.db2.gz ZFCYJRPNHBWCKL-IONNQARKSA-N 0 0 170.256 1.494 10 0 ADAERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)C(F)F 306592073 345469383 /nfs/dbraw/zinc/46/93/83/345469383.db2.gz QTCBBVNHUXYQNR-NGJCXOISSA-N 0 0 175.178 1.166 10 0 ADAERN Cc1nc([C@@H](C)C2CC2)oc1CO 306591836 345469412 /nfs/dbraw/zinc/46/94/12/345469412.db2.gz VWEKNACRPDBGHV-LURJTMIESA-N 0 0 181.235 1.989 10 0 ADAERN CC1CN(C(=O)[C@@H]2CCCSC2)C1 306591746 345469438 /nfs/dbraw/zinc/46/94/38/345469438.db2.gz QFVLWRFOXGNEND-SECBINFHSA-N 0 0 199.319 1.608 10 0 ADAERN Cc1nc([C@H](C)C2CC2)oc1CO 306591837 345469452 /nfs/dbraw/zinc/46/94/52/345469452.db2.gz VWEKNACRPDBGHV-ZCFIWIBFSA-N 0 0 181.235 1.989 10 0 ADAERN O=C1CCOC[C@@H]1CC[C@@H]1CCOC1 306592499 345469590 /nfs/dbraw/zinc/46/95/90/345469590.db2.gz WMBGLXWCLNOQMW-ZJUUUORDSA-N 0 0 198.262 1.409 10 0 ADAERN CC(C)[C@H](C)N1CCCCN1 306592621 345469593 /nfs/dbraw/zinc/46/95/93/345469593.db2.gz ZWXFZNVCHIISPO-VIFPVBQESA-N 0 0 156.273 1.631 10 0 ADAERN Nc1cc(O)cc2ncsc12 306592696 345469613 /nfs/dbraw/zinc/46/96/13/345469613.db2.gz DEFZYTLUJHSXFQ-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN O=C1CCOC[C@H]1CC[C@@H]1CCOC1 306592496 345469798 /nfs/dbraw/zinc/46/97/98/345469798.db2.gz WMBGLXWCLNOQMW-NXEZZACHSA-N 0 0 198.262 1.409 10 0 ADAERN CC(C)[C@@H](C)N1CCCCN1 306592620 345469830 /nfs/dbraw/zinc/46/98/30/345469830.db2.gz ZWXFZNVCHIISPO-SECBINFHSA-N 0 0 156.273 1.631 10 0 ADAERN C1CCN(CC[C@H]2CCOC2)NC1 306592584 345469842 /nfs/dbraw/zinc/46/98/42/345469842.db2.gz ZTKXUBBDOHMWCV-JTQLQIEISA-N 0 0 184.283 1.013 10 0 ADAERN O=C1CCOC[C@H]1CC[C@H]1CCOC1 306592498 345469897 /nfs/dbraw/zinc/46/98/97/345469897.db2.gz WMBGLXWCLNOQMW-VHSXEESVSA-N 0 0 198.262 1.409 10 0 ADAERN CCC(=O)Cc1csnn1 306592415 345469909 /nfs/dbraw/zinc/46/99/09/345469909.db2.gz RFFFYWYKYYUZJR-UHFFFAOYSA-N 0 0 156.210 1.060 10 0 ADAERN O=C1CCOC[C@@H]1CC[C@H]1CCOC1 306592497 345469952 /nfs/dbraw/zinc/46/99/52/345469952.db2.gz WMBGLXWCLNOQMW-UWVGGRQHSA-N 0 0 198.262 1.409 10 0 ADAERN Nc1ccnc(C(F)(F)F)c1O 306593119 345470187 /nfs/dbraw/zinc/47/01/87/345470187.db2.gz DOYAJQPTUSYXQS-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN CCC1(Nc2nnc(N)o2)CC1 306593138 345470326 /nfs/dbraw/zinc/47/03/26/345470326.db2.gz IWMDOMPCEZVJAB-UHFFFAOYSA-N 0 0 168.200 1.006 10 0 ADAERN Cc1nnc(CN2CCCC2)s1 306592845 345470468 /nfs/dbraw/zinc/47/04/68/345470468.db2.gz DHNGFQHCOLVXBC-UHFFFAOYSA-N 0 0 183.280 1.442 10 0 ADAERN CNC(=S)N1C[C@H]2CCCC[C@H]21 306593700 345470731 /nfs/dbraw/zinc/47/07/31/345470731.db2.gz FAFAPYXNTMFRKK-HTQZYQBOSA-N 0 0 184.308 1.365 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CC12CCCC2 306593394 345470743 /nfs/dbraw/zinc/47/07/43/345470743.db2.gz ADPVXZCRACQPJD-MRVPVSSYSA-N 0 0 178.235 1.682 10 0 ADAERN CNC(=S)N1C[C@H]2CCCC[C@@H]21 306593702 345470754 /nfs/dbraw/zinc/47/07/54/345470754.db2.gz FAFAPYXNTMFRKK-SFYZADRCSA-N 0 0 184.308 1.365 10 0 ADAERN COc1ccc(CN(C)C#N)cn1 306593623 345470758 /nfs/dbraw/zinc/47/07/58/345470758.db2.gz DRPXRDRVOWDNEY-UHFFFAOYSA-N 0 0 177.207 1.003 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1CC[C@H](F)C1 306593681 345470765 /nfs/dbraw/zinc/47/07/65/345470765.db2.gz DXHWZIUQEDSNDY-MTMYIVCTSA-N 0 0 185.242 1.959 10 0 ADAERN Cc1scc(CNC=O)c1C 306593370 345470778 /nfs/dbraw/zinc/47/07/78/345470778.db2.gz ADDHVPHHGVLISP-UHFFFAOYSA-N 0 0 169.249 1.611 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1CC[C@@H](F)C1 306593679 345470782 /nfs/dbraw/zinc/47/07/82/345470782.db2.gz DXHWZIUQEDSNDY-IZEHPQQOSA-N 0 0 185.242 1.959 10 0 ADAERN CNC(=S)N1C[C@@H]2CCCC[C@H]21 306593701 345470788 /nfs/dbraw/zinc/47/07/88/345470788.db2.gz FAFAPYXNTMFRKK-JGVFFNPUSA-N 0 0 184.308 1.365 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CC[C@@H](F)C1 306593678 345470800 /nfs/dbraw/zinc/47/08/00/345470800.db2.gz DXHWZIUQEDSNDY-ALCBPQMDSA-N 0 0 185.242 1.959 10 0 ADAERN COC(=O)Cc1nc(F)ccc1F 306593500 345470828 /nfs/dbraw/zinc/47/08/28/345470828.db2.gz DGBCXERMKADVBJ-UHFFFAOYSA-N 0 0 187.145 1.075 10 0 ADAERN CNC(=S)N1C[C@@H]2CCCC[C@@H]21 306593703 345470881 /nfs/dbraw/zinc/47/08/81/345470881.db2.gz FAFAPYXNTMFRKK-YUMQZZPRSA-N 0 0 184.308 1.365 10 0 ADAERN Cc1cc(C2(O)CSC2)sn1 306593328 345470895 /nfs/dbraw/zinc/47/08/95/345470895.db2.gz WYATUKFXYROGPB-UHFFFAOYSA-N 0 0 187.289 1.386 10 0 ADAERN O=c1[nH]ccn1[C@H]1CC12CCCC2 306593396 345470899 /nfs/dbraw/zinc/47/08/99/345470899.db2.gz ADPVXZCRACQPJD-QMMMGPOBSA-N 0 0 178.235 1.682 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CC[C@H](F)C1 306593680 345470932 /nfs/dbraw/zinc/47/09/32/345470932.db2.gz DXHWZIUQEDSNDY-LBGXYMLMSA-N 0 0 185.242 1.959 10 0 ADAERN CC(C)=C(F)C(=O)N[C@H]1CCOC1 306594450 345471150 /nfs/dbraw/zinc/47/11/50/345471150.db2.gz DLJZXEXQUIVCRZ-ZETCQYMHSA-N 0 0 187.214 1.155 10 0 ADAERN CCCN1C(=O)CNC12CCCCC2 306594483 345471169 /nfs/dbraw/zinc/47/11/69/345471169.db2.gz DNRSZDZGFRWWKV-UHFFFAOYSA-N 0 0 196.294 1.489 10 0 ADAERN Cc1oncc1NC(=O)NCCF 306594139 345471200 /nfs/dbraw/zinc/47/12/00/345471200.db2.gz SIMZJHLFUZPMHY-UHFFFAOYSA-N 0 0 187.174 1.074 10 0 ADAERN Cc1cnn(C)c1[C@@H]1N[C@H](C)CS1 306594439 345471297 /nfs/dbraw/zinc/47/12/97/345471297.db2.gz DLAIHTLTKZSUAZ-VXNVDRBHSA-N 0 0 197.307 1.452 10 0 ADAERN C/C=C/C(=O)Nc1ncc(C)cn1 306594319 345471335 /nfs/dbraw/zinc/47/13/35/345471335.db2.gz FOFQDAUYIPWPSI-ONEGZZNKSA-N 0 0 177.207 1.300 10 0 ADAERN CC(C)=C(F)C(=O)N[C@@H]1CCOC1 306594448 345471364 /nfs/dbraw/zinc/47/13/64/345471364.db2.gz DLJZXEXQUIVCRZ-SSDOTTSWSA-N 0 0 187.214 1.155 10 0 ADAERN CC1(C)NC(=O)CC12CSC2 306594465 345471368 /nfs/dbraw/zinc/47/13/68/345471368.db2.gz XKKRBGCNVBIYBN-UHFFFAOYSA-N 0 0 171.265 1.018 10 0 ADAERN Cc1cnn(C)c1[C@H]1N[C@H](C)CS1 306594133 345471400 /nfs/dbraw/zinc/47/14/00/345471400.db2.gz DLAIHTLTKZSUAZ-APPZFPTMSA-N 0 0 197.307 1.452 10 0 ADAERN CONC(=O)N1CC2(CCCC2)C1 306594446 345471421 /nfs/dbraw/zinc/47/14/21/345471421.db2.gz DLIABUATZNEFTB-UHFFFAOYSA-N 0 0 184.239 1.133 10 0 ADAERN NC(=O)N1C[C@H]2CCCCCC[C@@H]21 306595165 345471654 /nfs/dbraw/zinc/47/16/54/345471654.db2.gz TVKOSPHMFWXQFF-BDAKNGLRSA-N 0 0 182.267 1.720 10 0 ADAERN Nc1ccnc(C(F)(F)F)c1C=O 306594282 345471467 /nfs/dbraw/zinc/47/14/67/345471467.db2.gz FITBVHUQPCWVMC-UHFFFAOYSA-N 0 0 190.124 1.495 10 0 ADAERN Cc1cnn(C)c1[C@@H]1N[C@@H](C)CS1 306594172 345471471 /nfs/dbraw/zinc/47/14/71/345471471.db2.gz DLAIHTLTKZSUAZ-IONNQARKSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1cnn(C)c1[C@H]1N[C@@H](C)CS1 306594152 345471475 /nfs/dbraw/zinc/47/14/75/345471475.db2.gz DLAIHTLTKZSUAZ-CBAPKCEASA-N 0 0 197.307 1.452 10 0 ADAERN NC(=O)N1C[C@@H]2CCCCCC[C@H]21 306595166 345471661 /nfs/dbraw/zinc/47/16/61/345471661.db2.gz TVKOSPHMFWXQFF-DTWKUNHWSA-N 0 0 182.267 1.720 10 0 ADAERN NC(=O)N1C[C@@H]2CCCCCC[C@@H]21 306595167 345471671 /nfs/dbraw/zinc/47/16/71/345471671.db2.gz TVKOSPHMFWXQFF-IUCAKERBSA-N 0 0 182.267 1.720 10 0 ADAERN CC1CN(C(=O)Nc2cnns2)C1 306595157 345471748 /nfs/dbraw/zinc/47/17/48/345471748.db2.gz 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/nfs/dbraw/zinc/47/25/87/345472587.db2.gz LREFCYNODFMXPI-NKWVEPMBSA-N 0 0 189.280 1.627 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1CC[C@H]2CCC[C@H]21 306596693 345472822 /nfs/dbraw/zinc/47/28/22/345472822.db2.gz VPSDXURWWUOJPD-LKJMDQPVSA-N 0 0 181.235 1.459 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)C[C@@H]1CCOC1 306596197 345472671 /nfs/dbraw/zinc/47/26/71/345472671.db2.gz YPUFYWQFQUAYLV-VGMNWLOBSA-N 0 0 168.236 1.638 10 0 ADAERN CCc1nc([C@H]2C[C@@H]2C)oc1CO 306596237 345472743 /nfs/dbraw/zinc/47/27/43/345472743.db2.gz YQZWBPXAELXHQL-BQBZGAKWSA-N 0 0 181.235 1.853 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)C[C@@H]1CCOC1 306596193 345472756 /nfs/dbraw/zinc/47/27/56/345472756.db2.gz YPUFYWQFQUAYLV-HRDYMLBCSA-N 0 0 168.236 1.638 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1CC[C@@H]2CCC[C@@H]21 306596694 345472771 /nfs/dbraw/zinc/47/27/71/345472771.db2.gz VPSDXURWWUOJPD-NHELSVQFSA-N 0 0 181.235 1.459 10 0 ADAERN C[C@@]1(c2cnc(CN)o2)C[C@@H]1F 306596744 345472793 /nfs/dbraw/zinc/47/27/93/345472793.db2.gz 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306599565 345475809 /nfs/dbraw/zinc/47/58/09/345475809.db2.gz RRNDSGUCOYOLJE-IVZWLZJFSA-N 0 0 189.262 1.995 10 0 ADAERN Nc1ccc(F)cc1NCCF 306599335 345475838 /nfs/dbraw/zinc/47/58/38/345475838.db2.gz RKLPRVFLKLAJTR-UHFFFAOYSA-N 0 0 172.178 1.789 10 0 ADAERN C[C@@H]1N[C@@]2(CCCC[C@H]2C)NC1=O 306599440 345475882 /nfs/dbraw/zinc/47/58/82/345475882.db2.gz HIOVXQSBMDSMNM-WEDXCCLWSA-N 0 0 182.267 1.001 10 0 ADAERN Cc1cnc(C[C@H]2CCC(=O)N2)s1 306599235 345475889 /nfs/dbraw/zinc/47/58/89/345475889.db2.gz QXPVOXQQOOTMIR-SSDOTTSWSA-N 0 0 196.275 1.273 10 0 ADAERN CC[C@](C)(O)CNc1nc(C)co1 306599096 345475935 /nfs/dbraw/zinc/47/59/35/345475935.db2.gz HCTIJBXUNWDCQT-VIFPVBQESA-N 0 0 184.239 1.556 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)C1(F)CCC1 306599816 345476280 /nfs/dbraw/zinc/47/62/80/345476280.db2.gz YWUMZARYYBRWCG-JGVFFNPUSA-N 0 0 185.242 1.793 10 0 ADAERN COC(=O)NC1CC(F)(F)C1 306599852 345476287 /nfs/dbraw/zinc/47/62/87/345476287.db2.gz ZANMAHAWPHPWFR-UHFFFAOYSA-N 0 0 165.139 1.140 10 0 ADAERN 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0 0 185.242 1.793 10 0 ADAERN Cc1cnn([C@@H]2CC[C@H]3C[C@H]32)c1N 306600999 345476706 /nfs/dbraw/zinc/47/67/06/345476706.db2.gz JMRZAPCKPWBVEU-DJLDLDEBSA-N 0 0 177.251 1.745 10 0 ADAERN Cc1cnn([C@H](C)[C@H]2C[C@H]2C)c1N 306600586 345476711 /nfs/dbraw/zinc/47/67/11/345476711.db2.gz ZUXDQPQJWZAYER-VDAHYXPESA-N 0 0 179.267 1.991 10 0 ADAERN CC(=O)O[C@@H]1CNc2ccccc21 306600561 345476721 /nfs/dbraw/zinc/47/67/21/345476721.db2.gz ZTZYOZWHHUQQIG-SNVBAGLBSA-N 0 0 177.203 1.716 10 0 ADAERN Cc1[nH]nc(C(F)(F)F)c1C=O 306600938 345476739 /nfs/dbraw/zinc/47/67/39/345476739.db2.gz JLJKHJWLIVTQQA-UHFFFAOYSA-N 0 0 178.113 1.549 10 0 ADAERN Cc1cnn([C@@H]2CC[C@@H]3C[C@@H]32)c1N 306601004 345476825 /nfs/dbraw/zinc/47/68/25/345476825.db2.gz JMRZAPCKPWBVEU-HRDYMLBCSA-N 0 0 177.251 1.745 10 0 ADAERN COc1cc(C(C)=O)c(N)cc1C 306600489 345476847 /nfs/dbraw/zinc/47/68/47/345476847.db2.gz JHGLSAICTONQKF-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN Cc1cnn([C@H](C)[C@H]2C[C@@H]2C)c1N 306600587 345476925 /nfs/dbraw/zinc/47/69/25/345476925.db2.gz ZUXDQPQJWZAYER-ZQARSLAVSA-N 0 0 179.267 1.991 10 0 ADAERN CC(=O)O[C@H]1CNc2ccccc21 306600560 345476992 /nfs/dbraw/zinc/47/69/92/345476992.db2.gz ZTZYOZWHHUQQIG-JTQLQIEISA-N 0 0 177.203 1.716 10 0 ADAERN Cc1cnn([C@H](C)[C@@H]2C[C@@H]2C)c1N 306600585 345477040 /nfs/dbraw/zinc/47/70/40/345477040.db2.gz ZUXDQPQJWZAYER-NBEYISGCSA-N 0 0 179.267 1.991 10 0 ADAERN Cc1cnn([C@H](C)[C@@H]2C[C@H]2C)c1N 306600584 345477042 /nfs/dbraw/zinc/47/70/42/345477042.db2.gz ZUXDQPQJWZAYER-FTLITQJKSA-N 0 0 179.267 1.991 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)c1cn(C)nc1C 306601879 345477244 /nfs/dbraw/zinc/47/72/44/345477244.db2.gz KPSARZVSYRJRRM-RKDXNWHRSA-N 0 0 192.262 1.957 10 0 ADAERN CC(C)[C@H](O)CN1CCC(C)(C)C1=O 306601673 345477270 /nfs/dbraw/zinc/47/72/70/345477270.db2.gz UWHBVIJYNGBJOL-SECBINFHSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@H]1C[C@H]1C(=O)c1cn(C)nc1C 306601877 345477284 /nfs/dbraw/zinc/47/72/84/345477284.db2.gz KPSARZVSYRJRRM-DTWKUNHWSA-N 0 0 192.262 1.957 10 0 ADAERN CC(C)[C@@H](C)Nc1c[nH]cn1 306601535 345477308 /nfs/dbraw/zinc/47/73/08/345477308.db2.gz JZCYOJGPNKHRKH-SSDOTTSWSA-N 0 0 153.229 1.866 10 0 ADAERN CC(C)[C@@H](O)CN1CCC(C)(C)C1=O 306601684 345477376 /nfs/dbraw/zinc/47/73/76/345477376.db2.gz UWHBVIJYNGBJOL-VIFPVBQESA-N 0 0 199.294 1.262 10 0 ADAERN CC1(Cc2nc(N)nc(Cl)n2)CC1 306601761 345477466 /nfs/dbraw/zinc/47/74/66/345477466.db2.gz CLMHBPHAVQMFME-UHFFFAOYSA-N 0 0 198.657 1.450 10 0 ADAERN Clc1cnc(N[C@H]2CCOC2)cn1 306601755 345477480 /nfs/dbraw/zinc/47/74/80/345477480.db2.gz CLGJBOZPXRACQZ-LURJTMIESA-N 0 0 199.641 1.331 10 0 ADAERN CC[C@@H]1C[C@H]1c1nn(C)c(=S)[nH]1 306601613 345477483 /nfs/dbraw/zinc/47/74/83/345477483.db2.gz KCMLYBXSTFYLKD-PHDIDXHHSA-N 0 0 183.280 1.617 10 0 ADAERN CCCN1CC(O)(C(F)(F)F)C1 306601651 345477485 /nfs/dbraw/zinc/47/74/85/345477485.db2.gz KDKIXKZNRLVZKJ-UHFFFAOYSA-N 0 0 183.173 1.005 10 0 ADAERN Clc1cnc(N[C@@H]2CCOC2)cn1 306601756 345477543 /nfs/dbraw/zinc/47/75/43/345477543.db2.gz CLGJBOZPXRACQZ-ZCFIWIBFSA-N 0 0 199.641 1.331 10 0 ADAERN CC[C@H]1C[C@@H]1C(=O)c1cn(C)nc1C 306601878 345477554 /nfs/dbraw/zinc/47/75/54/345477554.db2.gz KPSARZVSYRJRRM-IUCAKERBSA-N 0 0 192.262 1.957 10 0 ADAERN CC(C)[C@H](C)Nc1c[nH]cn1 306601537 345477595 /nfs/dbraw/zinc/47/75/95/345477595.db2.gz JZCYOJGPNKHRKH-ZETCQYMHSA-N 0 0 153.229 1.866 10 0 ADAERN CC[C@@H]1C[C@@H]1C(=O)c1cn(C)nc1C 306601876 345477635 /nfs/dbraw/zinc/47/76/35/345477635.db2.gz KPSARZVSYRJRRM-BDAKNGLRSA-N 0 0 192.262 1.957 10 0 ADAERN CNC(=O)c1sc(Cl)nc1C 306602374 345477919 /nfs/dbraw/zinc/47/79/19/345477919.db2.gz LFCMBAYKACVSHH-UHFFFAOYSA-N 0 0 190.655 1.465 10 0 ADAERN c1nnc(NCC2CCCC2)o1 306602453 345478018 /nfs/dbraw/zinc/47/80/18/345478018.db2.gz VXTISFXWZIKYKO-UHFFFAOYSA-N 0 0 167.212 1.672 10 0 ADAERN Nc1cc(Cl)cc(=O)[nH]1 306602378 345478086 /nfs/dbraw/zinc/47/80/86/345478086.db2.gz LFPFTLLYYJQHCZ-UHFFFAOYSA-N 0 0 144.561 1.023 10 0 ADAERN C=CC(=O)N[C@H](C)C(C)(F)F 306601991 345478096 /nfs/dbraw/zinc/47/80/96/345478096.db2.gz VGKIYKWOYAMSDW-RXMQYKEDSA-N 0 0 163.167 1.332 10 0 ADAERN Cc1oc(=S)n(CN(C)C)c1C 306601907 345478136 /nfs/dbraw/zinc/47/81/36/345478136.db2.gz KUVJCJRDXWKKOG-UHFFFAOYSA-N 0 0 186.280 1.947 10 0 ADAERN Nc1ccc(C(F)(F)F)c(=O)[nH]1 306602344 345478152 /nfs/dbraw/zinc/47/81/52/345478152.db2.gz LBXAWZMEWDNLBF-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN CC(=O)O[C@H](C)c1cc[nH]n1 306602389 345478155 /nfs/dbraw/zinc/47/81/55/345478155.db2.gz LIHIYWMFOOUGCB-RXMQYKEDSA-N 0 0 154.169 1.034 10 0 ADAERN CC(=O)O[C@@H](C)c1cc[nH]n1 306602390 345478207 /nfs/dbraw/zinc/47/82/07/345478207.db2.gz LIHIYWMFOOUGCB-YFKPBYRVSA-N 0 0 154.169 1.034 10 0 ADAERN C=CC(=O)N[C@@H](C)C(C)(F)F 306601992 345478215 /nfs/dbraw/zinc/47/82/15/345478215.db2.gz VGKIYKWOYAMSDW-YFKPBYRVSA-N 0 0 163.167 1.332 10 0 ADAERN CNc1nccnc1-c1ccns1 306602181 345478234 /nfs/dbraw/zinc/47/82/34/345478234.db2.gz CSNRIDUVBKCNSL-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CC(=O)Nc1ncccc1N(C)C 306602574 345478341 /nfs/dbraw/zinc/47/83/41/345478341.db2.gz LOOMOEBTGXTHGD-UHFFFAOYSA-N 0 0 179.223 1.106 10 0 ADAERN O=c1ccn(COC2CCCC2)cc1 306602527 345478773 /nfs/dbraw/zinc/47/87/73/345478773.db2.gz WFCNPHSOWAWJJL-UHFFFAOYSA-N 0 0 193.246 1.765 10 0 ADAERN Nc1ccc(O)c2ncsc12 306602558 345478828 /nfs/dbraw/zinc/47/88/28/345478828.db2.gz LLXDQVVLXHCBMH-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN CC[C@H](C)C1(C)CC(=O)NC(=O)C1 306603333 345478947 /nfs/dbraw/zinc/47/89/47/345478947.db2.gz MGZOUOFILDOATA-ZETCQYMHSA-N 0 0 183.251 1.475 10 0 ADAERN CC[C@@H](C)C1(C)CC(=O)NC(=O)C1 306603332 345478986 /nfs/dbraw/zinc/47/89/86/345478986.db2.gz MGZOUOFILDOATA-SSDOTTSWSA-N 0 0 183.251 1.475 10 0 ADAERN CNC(=O)Nc1cc(C)nc(C)c1 306603098 345479048 /nfs/dbraw/zinc/47/90/48/345479048.db2.gz MFDHHFLHMYPABA-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN Cc1cc(C)c(NC(N)=O)c(Cl)n1 306603377 345479060 /nfs/dbraw/zinc/47/90/60/345479060.db2.gz MLRXRKMYIARIDC-UHFFFAOYSA-N 0 0 199.641 1.842 10 0 ADAERN CCCC1(Nc2n[nH]c(N)n2)CC1 306603122 345479071 /nfs/dbraw/zinc/47/90/71/345479071.db2.gz WTCKCJDJSMTQDK-UHFFFAOYSA-N 0 0 181.243 1.132 10 0 ADAERN COC(C)(C)Cn1ccnc1 306603438 345479088 /nfs/dbraw/zinc/47/90/88/345479088.db2.gz MRYFICWBOQCHIP-UHFFFAOYSA-N 0 0 154.213 1.308 10 0 ADAERN CCC1(Nc2ncc(N)cn2)CC1 306603534 345479127 /nfs/dbraw/zinc/47/91/27/345479127.db2.gz XSZSYZVHBDOFMA-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN Nc1c[nH]c(=S)c(C(F)(F)F)c1 306603344 345479132 /nfs/dbraw/zinc/47/91/32/345479132.db2.gz MIDDSJCAYZRPGJ-UHFFFAOYSA-N 0 0 194.181 1.971 10 0 ADAERN O=c1[nH]nc(C2=CCCC2)s1 306603698 345479147 /nfs/dbraw/zinc/47/91/47/345479147.db2.gz MTITTZRPYFKIKU-UHFFFAOYSA-N 0 0 168.221 1.399 10 0 ADAERN O=C([O-])[C@H]1CCC[C@H](c2ccc[nH]2)[NH2+]1 306603486 345479153 /nfs/dbraw/zinc/47/91/53/345479153.db2.gz XLDSLOJJRUFRKR-RKDXNWHRSA-N 0 0 194.234 1.283 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H](c2ccc[nH]2)[NH2+]1 306603483 345479190 /nfs/dbraw/zinc/47/91/90/345479190.db2.gz XLDSLOJJRUFRKR-BDAKNGLRSA-N 0 0 194.234 1.283 10 0 ADAERN Cc1cc(Cl)nnc1[C@H]1CCOC1 306603087 345479194 /nfs/dbraw/zinc/47/91/94/345479194.db2.gz MEIFHAOPZHSCHN-ZETCQYMHSA-N 0 0 198.653 1.942 10 0 ADAERN CCC1(Nc2cc(N)ncn2)CC1 306603519 345479201 /nfs/dbraw/zinc/47/92/01/345479201.db2.gz XQYYPNSSHPZMQE-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN O=C([O-])[C@H]1CCC[C@@H](c2ccc[nH]2)[NH2+]1 306603484 345479260 /nfs/dbraw/zinc/47/92/60/345479260.db2.gz XLDSLOJJRUFRKR-DTWKUNHWSA-N 0 0 194.234 1.283 10 0 ADAERN Cc1cc(Cl)nnc1[C@@H]1CCOC1 306603086 345479281 /nfs/dbraw/zinc/47/92/81/345479281.db2.gz MEIFHAOPZHSCHN-SSDOTTSWSA-N 0 0 198.653 1.942 10 0 ADAERN CCON[C@@H]1CCOC1(C)C 306640760 345509507 /nfs/dbraw/zinc/50/95/07/345509507.db2.gz KSUJFIIYUQIVTI-SSDOTTSWSA-N 0 0 159.229 1.095 10 0 ADAERN Cc1cccnc1C(=O)c1ccc[nH]1 306603846 345479601 /nfs/dbraw/zinc/47/96/01/345479601.db2.gz XVWOASGXVUECRD-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN C[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCS1 306604105 345479613 /nfs/dbraw/zinc/47/96/13/345479613.db2.gz NJPMEXLAKKBRCC-CIUDSAMLSA-N 0 0 199.319 1.606 10 0 ADAERN O=CNCC1=CCCCC1 306604285 345479615 /nfs/dbraw/zinc/47/96/15/345479615.db2.gz YVEDBCDGMIZKHQ-UHFFFAOYSA-N 0 0 139.198 1.233 10 0 ADAERN COC(=O)Nc1cccc(O)c1F 306603811 345479626 /nfs/dbraw/zinc/47/96/26/345479626.db2.gz NBQOVCNJXCXZGG-UHFFFAOYSA-N 0 0 185.154 1.710 10 0 ADAERN OCCc1csc(-c2ncc[nH]2)n1 306604141 345479629 /nfs/dbraw/zinc/47/96/29/345479629.db2.gz NKULRMAOOIDPSN-UHFFFAOYSA-N 0 0 195.247 1.068 10 0 ADAERN CC[C@@H]1CNc2cc(F)cnc2N1 306603796 345479654 /nfs/dbraw/zinc/47/96/54/345479654.db2.gz DQCSZRXXBMLNAI-SSDOTTSWSA-N 0 0 181.214 1.837 10 0 ADAERN Nc1nc(CO)ccc1C(F)(F)F 306604166 345479674 /nfs/dbraw/zinc/47/96/74/345479674.db2.gz NNZCPQOQTMGPMQ-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN CC[C@H]1CNc2cc(F)cnc2N1 306603798 345479713 /nfs/dbraw/zinc/47/97/13/345479713.db2.gz DQCSZRXXBMLNAI-ZETCQYMHSA-N 0 0 181.214 1.837 10 0 ADAERN FCCCNc1ccc(F)cn1 306604427 345480000 /nfs/dbraw/zinc/48/00/00/345480000.db2.gz NZRDILMZPOFASR-UHFFFAOYSA-N 0 0 172.178 1.992 10 0 ADAERN O=c1ccc(NCc2ccoc2)c[nH]1 306604836 345480045 /nfs/dbraw/zinc/48/00/45/345480045.db2.gz ZOOXKIFUDLLVSS-UHFFFAOYSA-N 0 0 190.202 1.992 10 0 ADAERN CO[C@H]1CCCCC[C@@H]1NC(C)=O 306604488 345480077 /nfs/dbraw/zinc/48/00/77/345480077.db2.gz OHUBBMUBLJPHLL-UWVGGRQHSA-N 0 0 185.267 1.470 10 0 ADAERN CO[C@@H]1CCCCC[C@@H]1NC(C)=O 306604589 345480120 /nfs/dbraw/zinc/48/01/20/345480120.db2.gz OHUBBMUBLJPHLL-VHSXEESVSA-N 0 0 185.267 1.470 10 0 ADAERN NNCC1(c2ccccc2)CCCC1 306604822 345480150 /nfs/dbraw/zinc/48/01/50/345480150.db2.gz ZMYHGHRZFKBHCH-UHFFFAOYSA-N 0 0 190.290 1.962 10 0 ADAERN CO[C@H]1CCCCC[C@H]1NC(C)=O 306604590 345480193 /nfs/dbraw/zinc/48/01/93/345480193.db2.gz OHUBBMUBLJPHLL-ZJUUUORDSA-N 0 0 185.267 1.470 10 0 ADAERN CC(C)C1(Nc2cnc(N)cn2)CC1 306604559 345480202 /nfs/dbraw/zinc/48/02/02/345480202.db2.gz ZHPIDNPGCZRLGT-UHFFFAOYSA-N 0 0 192.266 1.659 10 0 ADAERN C1=C(CNN2CCCCC2)COCC1 306605258 345480522 /nfs/dbraw/zinc/48/05/22/345480522.db2.gz ZYEUMUYUSBTACV-UHFFFAOYSA-N 0 0 196.294 1.324 10 0 ADAERN CC[C@H]1C[C@@H]1c1cc(N)no1 306605066 345480531 /nfs/dbraw/zinc/48/05/31/345480531.db2.gz PBNRKMADMZJEGI-WDSKDSINSA-N 0 0 152.197 1.770 10 0 ADAERN CC1(C2(NC=O)CC2)CC1 306604932 345480537 /nfs/dbraw/zinc/48/05/37/345480537.db2.gz FNGBLMJOSKUUGX-UHFFFAOYSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@]1(C)C(=O)[O-] 306604973 345480550 /nfs/dbraw/zinc/48/05/50/345480550.db2.gz ZRKJZQPAEDXLGQ-WCABBAIRSA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@@H]1C[C@H]1c1cc(N)no1 306605064 345480558 /nfs/dbraw/zinc/48/05/58/345480558.db2.gz PBNRKMADMZJEGI-PHDIDXHHSA-N 0 0 152.197 1.770 10 0 ADAERN O=C1CCN(C(=O)c2ccsc2)C1 306605663 345480658 /nfs/dbraw/zinc/48/06/58/345480658.db2.gz GEHVOGFPPAVFSM-UHFFFAOYSA-N 0 0 195.243 1.163 10 0 ADAERN CC[C@H]1C[C@H]1c1cc(N)no1 306605063 345480603 /nfs/dbraw/zinc/48/06/03/345480603.db2.gz PBNRKMADMZJEGI-NTSWFWBYSA-N 0 0 152.197 1.770 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 306604983 345480619 /nfs/dbraw/zinc/48/06/19/345480619.db2.gz ZRKJZQPAEDXLGQ-YWVKMMECSA-N 0 0 197.278 1.724 10 0 ADAERN CC[C@@H]1C[C@@H]1c1cc(N)no1 306605065 345480656 /nfs/dbraw/zinc/48/06/56/345480656.db2.gz PBNRKMADMZJEGI-RITPCOANSA-N 0 0 152.197 1.770 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 306605103 345480670 /nfs/dbraw/zinc/48/06/70/345480670.db2.gz PGCNPDQYKJXWPA-QCLAVDOMSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@]1(C)C(=O)[O-] 306604955 345480742 /nfs/dbraw/zinc/48/07/42/345480742.db2.gz ZRKJZQPAEDXLGQ-KKZNHRDASA-N 0 0 197.278 1.724 10 0 ADAERN C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@]1(C)C(=O)[O-] 306604936 345480764 /nfs/dbraw/zinc/48/07/64/345480764.db2.gz ZRKJZQPAEDXLGQ-FXPVBKGRSA-N 0 0 197.278 1.724 10 0 ADAERN FCCNc1ccnc(F)c1 306605451 345480837 /nfs/dbraw/zinc/48/08/37/345480837.db2.gz PUNXFPGGSKAWCD-UHFFFAOYSA-N 0 0 158.151 1.602 10 0 ADAERN C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 306605104 345480876 /nfs/dbraw/zinc/48/08/76/345480876.db2.gz PGCNPDQYKJXWPA-SGIHWFKDSA-N 0 0 181.279 1.947 10 0 ADAERN CCN(C)N1CCSCC[C@H]1C 306606407 345480938 /nfs/dbraw/zinc/48/09/38/345480938.db2.gz RKPQEYMKYJRFQK-SECBINFHSA-N 0 0 188.340 1.681 10 0 ADAERN OC[C@@H]1C[C@@H]1Nc1ccncc1Cl 306605985 345480979 /nfs/dbraw/zinc/48/09/79/345480979.db2.gz QULSCOPTBOOBFA-RCOVLWMOSA-N 0 0 198.653 1.528 10 0 ADAERN CCn1cnc(-c2cnc(N)s2)c1 306606389 345480993 /nfs/dbraw/zinc/48/09/93/345480993.db2.gz RILMMCKGGLXYIB-UHFFFAOYSA-N 0 0 194.263 1.609 10 0 ADAERN COc1nc(C2(O)CC(C)C2)cs1 306606390 345480996 /nfs/dbraw/zinc/48/09/96/345480996.db2.gz RIMCVVHVEJIQNM-UHFFFAOYSA-N 0 0 199.275 1.769 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 306605877 345481030 /nfs/dbraw/zinc/48/10/30/345481030.db2.gz GPDLXZQTHMMXIH-RNLVFQAGSA-N 0 0 185.654 1.654 10 0 ADAERN OCc1cc(-c2cc[nH]n2)cs1 306605994 345481064 /nfs/dbraw/zinc/48/10/64/345481064.db2.gz QVQLJHQZIHLSCU-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN 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CCn1c(C2CCCC2)noc1=O 306607526 345482145 /nfs/dbraw/zinc/48/21/45/345482145.db2.gz UOFDLFXQEQAXKX-UHFFFAOYSA-N 0 0 182.223 1.514 10 0 ADAERN CCNCc1nn(C)cc1Cl 306607488 345482152 /nfs/dbraw/zinc/48/21/52/345482152.db2.gz UKAPWBKPRBUOCR-UHFFFAOYSA-N 0 0 173.647 1.183 10 0 ADAERN Nc1cc(-c2ccns2)ncn1 306607628 345482249 /nfs/dbraw/zinc/48/22/49/345482249.db2.gz IIFDCHYYLFQMOX-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CC[C@@H]1C[C@H]1C1N=NC(=S)N1 306607273 345482269 /nfs/dbraw/zinc/48/22/69/345482269.db2.gz TVJLXYNPHQEUIL-RFZPGFLSSA-N 0 0 169.253 1.607 10 0 ADAERN CC[C@@H]1C[C@H]1c1nc(N)no1 306607531 345482275 /nfs/dbraw/zinc/48/22/75/345482275.db2.gz UOTYFTVGOSLKKJ-RFZPGFLSSA-N 0 0 153.185 1.165 10 0 ADAERN CC[C@@H]1C[C@@H]1C1N=NC(=S)N1 306607274 345482300 /nfs/dbraw/zinc/48/23/00/345482300.db2.gz TVJLXYNPHQEUIL-UHNVWZDZSA-N 0 0 169.253 1.607 10 0 ADAERN COC(=O)N[C@@H]1CC[C@H](F)C1 306653551 345519858 /nfs/dbraw/zinc/51/98/58/345519858.db2.gz HBINFVKUNWMDIX-NTSWFWBYSA-N 0 0 161.176 1.233 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KCTSRWRIKLPMEB-WDSKDSINSA-N 0 0 182.179 1.122 10 0 ADAERN CNc1ccc(-c2ccns2)nn1 306609077 345483204 /nfs/dbraw/zinc/48/32/04/345483204.db2.gz JWIWHCFCBXHQRR-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1CC[C@@H]1C 306608850 345483208 /nfs/dbraw/zinc/48/32/08/345483208.db2.gz JPYBRBBQGYTLOU-CAHLUQPWSA-N 0 0 173.643 1.654 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1CC[C@H]1C 306608852 345483216 /nfs/dbraw/zinc/48/32/16/345483216.db2.gz JPYBRBBQGYTLOU-IYSWYEEDSA-N 0 0 173.643 1.654 10 0 ADAERN CC1(NC(=O)[C@@H]2CC[C@H](F)C2)CC1 306609211 345483218 /nfs/dbraw/zinc/48/32/18/345483218.db2.gz XXBGJXQNBGQDEQ-SFYZADRCSA-N 0 0 185.242 1.793 10 0 ADAERN CC1(NC(=O)[C@H]2CC[C@H](F)C2)CC1 306609271 345483241 /nfs/dbraw/zinc/48/32/41/345483241.db2.gz XXBGJXQNBGQDEQ-YUMQZZPRSA-N 0 0 185.242 1.793 10 0 ADAERN Cc1cc(C)c(CNC2COC2)cn1 306609198 345483261 /nfs/dbraw/zinc/48/32/61/345483261.db2.gz JYRYPLURQZSHHN-UHFFFAOYSA-N 0 0 192.262 1.187 10 0 ADAERN CC(C)[S@@](=O)Nc1ccncc1N 306608876 345483267 /nfs/dbraw/zinc/48/32/67/345483267.db2.gz JRMQLJJBNQAPOU-CYBMUJFWSA-N 0 0 199.279 1.148 10 0 ADAERN c1cnc2c(c1)NCCC1(CC1)N2 306609189 345483279 /nfs/dbraw/zinc/48/32/79/345483279.db2.gz JYIXGMZANVQTBA-UHFFFAOYSA-N 0 0 175.235 1.842 10 0 ADAERN C[C@@H]1CC[C@@H](c2noc(C=O)n2)O1 306609258 345483370 /nfs/dbraw/zinc/48/33/70/345483370.db2.gz KCTSRWRIKLPMEB-RITPCOANSA-N 0 0 182.179 1.122 10 0 ADAERN CC1(NC(=O)[C@@H]2CC[C@@H](F)C2)CC1 306609193 345483371 /nfs/dbraw/zinc/48/33/71/345483371.db2.gz XXBGJXQNBGQDEQ-HTQZYQBOSA-N 0 0 185.242 1.793 10 0 ADAERN CNc1nccc(-c2ccns2)n1 306609052 345483388 /nfs/dbraw/zinc/48/33/88/345483388.db2.gz JVOHAXYHIQDWFN-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN C[C@H]1CC[C@H](c2noc(C=O)n2)O1 306609256 345483410 /nfs/dbraw/zinc/48/34/10/345483410.db2.gz KCTSRWRIKLPMEB-NTSWFWBYSA-N 0 0 182.179 1.122 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1CC[C@@H]1C 306608851 345483418 /nfs/dbraw/zinc/48/34/18/345483418.db2.gz JPYBRBBQGYTLOU-FSPLSTOPSA-N 0 0 173.643 1.654 10 0 ADAERN CC1(NC(=O)[C@H]2CC[C@@H](F)C2)CC1 306609201 345483421 /nfs/dbraw/zinc/48/34/21/345483421.db2.gz XXBGJXQNBGQDEQ-JGVFFNPUSA-N 0 0 185.242 1.793 10 0 ADAERN C[C@@H]1CC[C@H](c2noc(C=O)n2)O1 306609257 345483434 /nfs/dbraw/zinc/48/34/34/345483434.db2.gz KCTSRWRIKLPMEB-PHDIDXHHSA-N 0 0 182.179 1.122 10 0 ADAERN Cc1coc(C)c1C(=O)N(C)C#N 306609694 345483853 /nfs/dbraw/zinc/48/38/53/345483853.db2.gz YYLQPYJTRNRWRK-UHFFFAOYSA-N 0 0 178.191 1.450 10 0 ADAERN Cc1cc(=S)n(-c2cccnc2)[nH]1 306609758 345484062 /nfs/dbraw/zinc/48/40/62/345484062.db2.gz ZDAHIDCIDBBUAU-UHFFFAOYSA-N 0 0 191.259 1.864 10 0 ADAERN C[C@@H]1C(=O)NCC12CCCCC2 306609438 345484067 /nfs/dbraw/zinc/48/40/67/345484067.db2.gz KHOJKBCVOIFCPK-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@H]1C(=O)NCC12CCCCC2 306609439 345484089 /nfs/dbraw/zinc/48/40/89/345484089.db2.gz KHOJKBCVOIFCPK-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN O=C1N[C@@H](CCC2CC2)CO1 306661861 345526392 /nfs/dbraw/zinc/52/63/92/345526392.db2.gz SMDALHLGUIESTE-ZETCQYMHSA-N 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/nfs/dbraw/zinc/48/45/91/345484591.db2.gz DZTDSENXEJEESW-LLVKDONJSA-N 0 0 199.294 1.973 10 0 ADAERN O=CN[C@H]1CC2CCC1CC2 306610747 345484599 /nfs/dbraw/zinc/48/45/99/345484599.db2.gz FIUJVAQUZJBELU-HACHORDNSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@@H](O)CN1C(=O)C[C@@H]2CCCC[C@H]21 306610726 345484601 /nfs/dbraw/zinc/48/46/01/345484601.db2.gz FHUVEGNPVDASRO-KXUCPTDWSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@@H](O)CN1C(=O)C[C@H]2CCCC[C@@H]21 306610718 345484633 /nfs/dbraw/zinc/48/46/33/345484633.db2.gz FHUVEGNPVDASRO-BBBLOLIVSA-N 0 0 197.278 1.158 10 0 ADAERN C=CC(=O)N1C[C@@H]2CC=CC[C@H]2C1 306610106 345484642 /nfs/dbraw/zinc/48/46/42/345484642.db2.gz ZTFOOJFRPBJVQF-UWVGGRQHSA-N 0 0 177.247 1.597 10 0 ADAERN CSc1ccc(ON)cc1 306610177 345484671 /nfs/dbraw/zinc/48/46/71/345484671.db2.gz BOMIEDUYDHOOPC-UHFFFAOYSA-N 0 0 155.222 1.661 10 0 ADAERN C[C@@H](O)CN1C(=O)C[C@@H]2CCCC[C@@H]21 306610731 345484698 /nfs/dbraw/zinc/48/46/98/345484698.db2.gz FHUVEGNPVDASRO-UTLUCORTSA-N 0 0 197.278 1.158 10 0 ADAERN CC(=O)c1cncc(N[C@@H](C)CO)c1 306610237 345484702 /nfs/dbraw/zinc/48/47/02/345484702.db2.gz DYBHLGKFRMSZCX-ZETCQYMHSA-N 0 0 194.234 1.077 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1C[C@H]1CC 306611070 345485006 /nfs/dbraw/zinc/48/50/06/345485006.db2.gz LLYVLZWYHLNWIP-RQJHMYQMSA-N 0 0 173.643 1.654 10 0 ADAERN CNC(=S)N[C@@H]1C[C@@H](C)[C@H]1C 306610990 345485029 /nfs/dbraw/zinc/48/50/29/345485029.db2.gz BZLKZXYTGCOTLL-FSDSQADBSA-N 0 0 172.297 1.125 10 0 ADAERN CC(C)[C@H](NN)C(C)(F)F 306682556 345544027 /nfs/dbraw/zinc/54/40/27/345544027.db2.gz RPQRRQBTQDTPJL-YFKPBYRVSA-N 0 0 152.188 1.130 10 0 ADAERN CC[C@H](C)C(=O)N[C@H]1C[C@@H]1C 306610784 345485066 /nfs/dbraw/zinc/48/50/66/345485066.db2.gz FLLPFSRKLKJSIM-FXQIFTODSA-N 0 0 155.241 1.557 10 0 ADAERN CNC(=S)N[C@@H]1C[C@H](C)[C@@H]1C 306610991 345485108 /nfs/dbraw/zinc/48/51/08/345485108.db2.gz BZLKZXYTGCOTLL-LYFYHCNISA-N 0 0 172.297 1.125 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@@H]1CC 306611067 345485124 /nfs/dbraw/zinc/48/51/24/345485124.db2.gz LLYVLZWYHLNWIP-NKWVEPMBSA-N 0 0 173.643 1.654 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@H]1CC 306611069 345485133 /nfs/dbraw/zinc/48/51/33/345485133.db2.gz LLYVLZWYHLNWIP-RNFRBKRXSA-N 0 0 173.643 1.654 10 0 ADAERN C[C@@H](NC(=O)C(C)(C)F)C(C)(C)O 306610781 345485139 /nfs/dbraw/zinc/48/51/39/345485139.db2.gz FLCKMWQRGJYRBG-ZCFIWIBFSA-N 0 0 191.246 1.010 10 0 ADAERN CC[C@H](C)C(=O)N[C@@H]1C[C@@H]1C 306610783 345485143 /nfs/dbraw/zinc/48/51/43/345485143.db2.gz FLLPFSRKLKJSIM-BIIVOSGPSA-N 0 0 155.241 1.557 10 0 ADAERN COC(=O)Cc1ccc(F)c(F)n1 306611016 345485145 /nfs/dbraw/zinc/48/51/45/345485145.db2.gz FTGLFLITHHJCCG-UHFFFAOYSA-N 0 0 187.145 1.075 10 0 ADAERN CNC(=S)N[C@@H]1C[C@H](C)[C@H]1C 306610992 345485171 /nfs/dbraw/zinc/48/51/71/345485171.db2.gz BZLKZXYTGCOTLL-RRKCRQDMSA-N 0 0 172.297 1.125 10 0 ADAERN CC[C@H](C)C(=O)N[C@H]1C[C@H]1C 306610785 345485219 /nfs/dbraw/zinc/48/52/19/345485219.db2.gz FLLPFSRKLKJSIM-RNJXMRFFSA-N 0 0 155.241 1.557 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1C[C@@H]1CC 306611066 345485259 /nfs/dbraw/zinc/48/52/59/345485259.db2.gz LLYVLZWYHLNWIP-BQBZGAKWSA-N 0 0 173.643 1.654 10 0 ADAERN CNC(=S)N[C@@H]1C[C@@H](C)[C@@H]1C 306610989 345485295 /nfs/dbraw/zinc/48/52/95/345485295.db2.gz BZLKZXYTGCOTLL-DSYKOEDSSA-N 0 0 172.297 1.125 10 0 ADAERN CC[C@H](C)C(=O)N[C@@H]1C[C@H]1C 306610786 345485298 /nfs/dbraw/zinc/48/52/98/345485298.db2.gz FLLPFSRKLKJSIM-XLPZGREQSA-N 0 0 155.241 1.557 10 0 ADAERN CCCNC(=O)c1cccc(N)c1F 306611430 345485378 /nfs/dbraw/zinc/48/53/78/345485378.db2.gz GEJMVPDLGSNSDD-UHFFFAOYSA-N 0 0 196.225 1.548 10 0 ADAERN OCc1cc(F)cnc1C(F)(F)F 306611230 345485391 /nfs/dbraw/zinc/48/53/91/345485391.db2.gz CKAWOEVCXUALEF-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN CN(Cc1ccncc1)c1ncc[nH]1 306611251 345485420 /nfs/dbraw/zinc/48/54/20/345485420.db2.gz CLUCLKGRYNDMJQ-UHFFFAOYSA-N 0 0 188.234 1.441 10 0 ADAERN Clc1nc(-c2cncnc2)no1 306611690 345485487 /nfs/dbraw/zinc/48/54/87/345485487.db2.gz GZOUEYZHWLRNFI-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN O[C@H]1C=C(c2ccc[nH]2)CCC1 306611232 345485509 /nfs/dbraw/zinc/48/55/09/345485509.db2.gz CKDAUJPDOTVQND-SECBINFHSA-N 0 0 163.220 1.943 10 0 ADAERN CC(=O)c1c[nH]c([C@@]2(C)CCCO2)n1 306611637 345485528 /nfs/dbraw/zinc/48/55/28/345485528.db2.gz GTIOJHZMAZDMPC-SNVBAGLBSA-N 0 0 194.234 1.638 10 0 ADAERN O[C@@H](C1=COCC1)[C@@H]1[C@H]2CCC[C@H]21 306611491 345485555 /nfs/dbraw/zinc/48/55/55/345485555.db2.gz GLZQMZIWBBOYHE-ZDCRXTMVSA-N 0 0 180.247 1.698 10 0 ADAERN O=C(c1cccnc1Cl)N1CC1 306611479 345485562 /nfs/dbraw/zinc/48/55/62/345485562.db2.gz GLMBLATVYZKIEE-UHFFFAOYSA-N 0 0 182.610 1.191 10 0 ADAERN O[C@H](C1=COCC1)[C@@H]1[C@H]2CCC[C@H]21 306611490 345485715 /nfs/dbraw/zinc/48/57/15/345485715.db2.gz GLZQMZIWBBOYHE-VPOLOUISSA-N 0 0 180.247 1.698 10 0 ADAERN CSCC(=O)N[C@@H]1[C@H]2CCC[C@H]21 306611276 345485756 /nfs/dbraw/zinc/48/57/56/345485756.db2.gz FYWGVOSYQSJRQW-QMSLJYSESA-N 0 0 185.292 1.264 10 0 ADAERN O[C@@H]1C=C(c2ccc[nH]2)CCC1 306611233 345485793 /nfs/dbraw/zinc/48/57/93/345485793.db2.gz CKDAUJPDOTVQND-VIFPVBQESA-N 0 0 163.220 1.943 10 0 ADAERN CS[C@H](C)C(=O)N[C@@H]1C[C@H]1C 306611882 345486046 /nfs/dbraw/zinc/48/60/46/345486046.db2.gz HJAMVVOGTAALPB-FSDSQADBSA-N 0 0 173.281 1.263 10 0 ADAERN CS[C@H](C)C(=O)N[C@H]1C[C@H]1C 306611884 345486048 /nfs/dbraw/zinc/48/60/48/345486048.db2.gz HJAMVVOGTAALPB-QYNIQEEDSA-N 0 0 173.281 1.263 10 0 ADAERN Cc1nc(Cl)c(C)c(N2CCC2)n1 306612200 345486131 /nfs/dbraw/zinc/48/61/31/345486131.db2.gz IBSUDUILRWRBTA-UHFFFAOYSA-N 0 0 197.669 1.957 10 0 ADAERN CS[C@H](C)C(=O)N[C@@H]1C[C@@H]1C 306611886 345486172 /nfs/dbraw/zinc/48/61/72/345486172.db2.gz HJAMVVOGTAALPB-RRKCRQDMSA-N 0 0 173.281 1.263 10 0 ADAERN CS[C@H](C)C(=O)N[C@H]1C[C@@H]1C 306611887 345486189 /nfs/dbraw/zinc/48/61/89/345486189.db2.gz HJAMVVOGTAALPB-XVMARJQXSA-N 0 0 173.281 1.263 10 0 ADAERN CCNc1ncnc2c1nc(C)n2C 306612386 345486624 /nfs/dbraw/zinc/48/66/24/345486624.db2.gz ILOHPEFCNLHSSI-UHFFFAOYSA-N 0 0 191.238 1.104 10 0 ADAERN 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LNFYKTIESVNQEG-SECBINFHSA-N 0 0 197.303 1.718 10 0 ADAERN CC[C@H](C)Cn1c(C)c(C)[nH]c1=O 306613655 345487764 /nfs/dbraw/zinc/48/77/64/345487764.db2.gz KXNTWAOMGKNEID-ZETCQYMHSA-N 0 0 182.267 1.839 10 0 ADAERN CC1(C)CCC([C@@H](O)C(N)=O)CC1 306613934 345487776 /nfs/dbraw/zinc/48/77/76/345487776.db2.gz LLTMSXBQXSGPLY-MRVPVSSYSA-N 0 0 185.267 1.049 10 0 ADAERN CC1=C(C(=O)N2CCCO2)CCC1 306613846 345487778 /nfs/dbraw/zinc/48/77/78/345487778.db2.gz LGJPIFDYGYLFON-UHFFFAOYSA-N 0 0 181.235 1.651 10 0 ADAERN CN(CC1CC1)c1ncc(Cl)cn1 306614301 345487797 /nfs/dbraw/zinc/48/77/97/345487797.db2.gz LUNOEERNUUVRIF-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN CC1N=NC(=S)N1[C@@H]1CC[C@@H]1C 306614362 345488100 /nfs/dbraw/zinc/48/81/00/345488100.db2.gz AIMKHTQPDFKSJC-CAHLUQPWSA-N 0 0 183.280 1.846 10 0 ADAERN Cc1cccnc1NCCC(C)(C)O 306614895 345488149 /nfs/dbraw/zinc/48/81/49/345488149.db2.gz MKLMOMWAHPIQKR-UHFFFAOYSA-N 0 0 194.278 1.963 10 0 ADAERN CC1N=NC(=S)N1[C@@H]1CC[C@H]1C 306614364 345488154 /nfs/dbraw/zinc/48/81/54/345488154.db2.gz AIMKHTQPDFKSJC-IYSWYEEDSA-N 0 0 183.280 1.846 10 0 ADAERN CC1N=NC(=S)N1[C@H]1CC[C@@H]1C 306614363 345488190 /nfs/dbraw/zinc/48/81/90/345488190.db2.gz AIMKHTQPDFKSJC-FSPLSTOPSA-N 0 0 183.280 1.846 10 0 ADAERN CC1N=NC(=S)N1[C@H]1CC[C@H]1C 306614365 345488208 /nfs/dbraw/zinc/48/82/08/345488208.db2.gz AIMKHTQPDFKSJC-VDTYLAMSSA-N 0 0 183.280 1.846 10 0 ADAERN Cc1nccnc1N(C)CC1CC1 306615053 345488213 /nfs/dbraw/zinc/48/82/13/345488213.db2.gz MQBBMFYIZKKLPL-UHFFFAOYSA-N 0 0 177.251 1.631 10 0 ADAERN C[C@H](C(=O)N[C@@H]1CC1(C)C)C1CC1 306614798 345488368 /nfs/dbraw/zinc/48/83/68/345488368.db2.gz MDTVSQQNRVPSEK-IONNQARKSA-N 0 0 181.279 1.947 10 0 ADAERN CC1(OC(=O)c2cnco2)CCC1 306615372 345488576 /nfs/dbraw/zinc/48/85/76/345488576.db2.gz NKVZKUNZQYOROT-UHFFFAOYSA-N 0 0 181.191 1.774 10 0 ADAERN CC(C)NC(=O)/C=C1/CCO[C@@H]1C 306615186 345488635 /nfs/dbraw/zinc/48/86/35/345488635.db2.gz MYTQWGGWFJDWPF-WSQKDGNHSA-N 0 0 183.251 1.246 10 0 ADAERN Clc1cnc(NCC2CC2)cn1 306615128 345488666 /nfs/dbraw/zinc/48/86/66/345488666.db2.gz PCIYCTIWDNPVNK-UHFFFAOYSA-N 0 0 183.642 1.952 10 0 ADAERN CC(C)NC(=O)/C=C1/CCO[C@H]1C 306615184 345488679 /nfs/dbraw/zinc/48/86/79/345488679.db2.gz MYTQWGGWFJDWPF-HWPCKVLBSA-N 0 0 183.251 1.246 10 0 ADAERN CC(C)=CC(=O)N1CC2(CCC2)C1 306615172 345488682 /nfs/dbraw/zinc/48/86/82/345488682.db2.gz MXNVVMYGMJJDQJ-UHFFFAOYSA-N 0 0 179.263 1.965 10 0 ADAERN CC(=O)C(=O)NC1CCC(C)CC1 306615398 345488728 /nfs/dbraw/zinc/48/87/28/345488728.db2.gz NNQDABZNMBXHNR-UHFFFAOYSA-N 0 0 183.251 1.270 10 0 ADAERN Nc1cncc(-c2ccsn2)c1 306615381 345488765 /nfs/dbraw/zinc/48/87/65/345488765.db2.gz NLZKQGUBYCFNFO-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1cn(C[C@H](C)C(N)=O)cc1C 306615678 345489206 /nfs/dbraw/zinc/48/92/06/345489206.db2.gz NXOSKHGPLIOAQP-VIFPVBQESA-N 0 0 180.251 1.226 10 0 ADAERN CC[C@H]1CS[C@H](c2ccn(C)n2)N1 306615895 345489332 /nfs/dbraw/zinc/48/93/32/345489332.db2.gz OLGBYMRORIWXQI-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN CC[C@@H]1CS[C@H](c2ccn(C)n2)N1 306615896 345489348 /nfs/dbraw/zinc/48/93/48/345489348.db2.gz OLGBYMRORIWXQI-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN Cn1ncc(NC2COC2)c1C1CC1 306615821 345489374 /nfs/dbraw/zinc/48/93/74/345489374.db2.gz OASCFZHLFBXWNJ-UHFFFAOYSA-N 0 0 193.250 1.108 10 0 ADAERN CC[C@@H]1CS[C@@H](c2ccn(C)n2)N1 306615893 345489383 /nfs/dbraw/zinc/48/93/83/345489383.db2.gz OLGBYMRORIWXQI-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@@]1(C2CCC2)CC(=O)N1 306616308 345489806 /nfs/dbraw/zinc/48/98/06/345489806.db2.gz BWXOUXYIJQNONV-QMMMGPOBSA-N 0 0 139.198 1.065 10 0 ADAERN CC1(Cc2nnc(N)s2)CC1 306616047 345489815 /nfs/dbraw/zinc/48/98/15/345489815.db2.gz PTBDBBAYZAPVQE-UHFFFAOYSA-N 0 0 169.253 1.463 10 0 ADAERN CC[C@H]1CC[C@H](NC(N)=O)CC1 306616305 345489817 /nfs/dbraw/zinc/48/98/17/345489817.db2.gz BWXNOASWVJVBJO-ZKCHVHJHSA-N 0 0 170.256 1.624 10 0 ADAERN C1=C(CNc2nncs2)CCOC1 306616620 345489841 /nfs/dbraw/zinc/48/98/41/345489841.db2.gz QJBQXMJXVMMZFD-UHFFFAOYSA-N 0 0 197.263 1.297 10 0 ADAERN Cc1ocnc1Cn1ccc(Cl)n1 306616310 345489854 /nfs/dbraw/zinc/48/98/54/345489854.db2.gz BWZQBKBTHGRAAD-UHFFFAOYSA-N 0 0 197.625 1.881 10 0 ADAERN C[C@]1(C2CCC2)CC(=O)N1 306616306 345489921 /nfs/dbraw/zinc/48/99/21/345489921.db2.gz BWXOUXYIJQNONV-MRVPVSSYSA-N 0 0 139.198 1.065 10 0 ADAERN O[C@H](c1ccsn1)C1CC1 306704653 345558623 /nfs/dbraw/zinc/55/86/23/345558623.db2.gz JXTJVRPFCAACRD-ZETCQYMHSA-N 0 0 155.222 1.587 10 0 ADAERN C/C=C/C(=O)N(C)c1ncccn1 306616406 345490022 /nfs/dbraw/zinc/49/00/22/345490022.db2.gz OROZPVUFTGEQFS-HWKANZROSA-N 0 0 177.207 1.016 10 0 ADAERN Cc1cnc([C@@H](O)c2ccc[nH]2)s1 306616336 345490057 /nfs/dbraw/zinc/49/00/57/345490057.db2.gz BXVCMCJVUBMZJQ-QMMMGPOBSA-N 0 0 194.259 1.861 10 0 ADAERN COc1cc([C@H]2[NH2+]CC2(C)C)sn1 306617074 345490367 /nfs/dbraw/zinc/49/03/67/345490367.db2.gz QQEYMDQSMQNJQB-MRVPVSSYSA-N 0 0 198.291 1.822 10 0 ADAERN Cc1noc(N[C@H](CO)C(C)(C)C)n1 306616766 345490378 /nfs/dbraw/zinc/49/03/78/345490378.db2.gz PJENAXGTWMROIB-SSDOTTSWSA-N 0 0 199.254 1.197 10 0 ADAERN Nc1nsnc1-c1ccns1 306617256 345490388 /nfs/dbraw/zinc/49/03/88/345490388.db2.gz QYBDMQOZEFUQGD-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Cc1noc(N[C@@H](CO)C(C)(C)C)n1 306616767 345490396 /nfs/dbraw/zinc/49/03/96/345490396.db2.gz PJENAXGTWMROIB-ZETCQYMHSA-N 0 0 199.254 1.197 10 0 ADAERN COc1cc([C@@H]2[NH2+]CC2(C)C)sn1 306617075 345490432 /nfs/dbraw/zinc/49/04/32/345490432.db2.gz QQEYMDQSMQNJQB-QMMMGPOBSA-N 0 0 198.291 1.822 10 0 ADAERN CC[C@@H](Nc1nc(C)no1)C(C)(C)O 306617336 345490458 /nfs/dbraw/zinc/49/04/58/345490458.db2.gz QGGAPIIFUZMBQS-SSDOTTSWSA-N 0 0 199.254 1.339 10 0 ADAERN CC[C@H](Nc1nc(C)no1)C(C)(C)O 306617337 345490623 /nfs/dbraw/zinc/49/06/23/345490623.db2.gz QGGAPIIFUZMBQS-ZETCQYMHSA-N 0 0 199.254 1.339 10 0 ADAERN Cc1ncc(C(=O)C(F)(F)F)n1C 306616801 345490628 /nfs/dbraw/zinc/49/06/28/345490628.db2.gz POAFHLJTAVAKHK-UHFFFAOYSA-N 0 0 192.140 1.474 10 0 ADAERN CC[C@@H](N1CCCC1=O)C(C)(C)O 306617639 345490993 /nfs/dbraw/zinc/49/09/93/345490993.db2.gz RBBNLLYQJMRRDZ-MRVPVSSYSA-N 0 0 185.267 1.158 10 0 ADAERN CC[C@H](N1CCCC1=O)C(C)(C)O 306617640 345491120 /nfs/dbraw/zinc/49/11/20/345491120.db2.gz RBBNLLYQJMRRDZ-QMMMGPOBSA-N 0 0 185.267 1.158 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1nccc(CO)n1 306617589 345491178 /nfs/dbraw/zinc/49/11/78/345491178.db2.gz QVJYVOSFKDFCPT-APPZFPTMSA-N 0 0 193.250 1.179 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1nccc(CO)n1 306617592 345491209 /nfs/dbraw/zinc/49/12/09/345491209.db2.gz QVJYVOSFKDFCPT-VXNVDRBHSA-N 0 0 193.250 1.179 10 0 ADAERN C[C@H]1CC[C@H]1Nc1nccc(CO)n1 306617591 345491225 /nfs/dbraw/zinc/49/12/25/345491225.db2.gz QVJYVOSFKDFCPT-IONNQARKSA-N 0 0 193.250 1.179 10 0 ADAERN COC1CC(NC(=O)C2(C)CC2)C1 306618061 345491230 /nfs/dbraw/zinc/49/12/30/345491230.db2.gz RUQMTQFGSYOXET-UHFFFAOYSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1nccc(CO)n1 306617590 345491387 /nfs/dbraw/zinc/49/13/87/345491387.db2.gz QVJYVOSFKDFCPT-CBAPKCEASA-N 0 0 193.250 1.179 10 0 ADAERN CC(C)C1CN(Cc2ncc[nH]2)C1 306617807 345491410 /nfs/dbraw/zinc/49/14/10/345491410.db2.gz RKDSKGJLQWLTPD-UHFFFAOYSA-N 0 0 179.267 1.498 10 0 ADAERN Cc1nnc(-c2occc2C)o1 306617568 345491443 /nfs/dbraw/zinc/49/14/43/345491443.db2.gz QSDBHIVRROCXPL-UHFFFAOYSA-N 0 0 164.164 1.946 10 0 ADAERN N[C@H](c1cccnc1)c1ccns1 306618404 345491620 /nfs/dbraw/zinc/49/16/20/345491620.db2.gz SFNUCVKOSKUESY-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN CC[C@@H]1CCC[C@@H]1N1CN[C@H](C)C1=O 306618645 345491625 /nfs/dbraw/zinc/49/16/25/345491625.db2.gz SUGQDEJMWNYXMV-BBBLOLIVSA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@@H]1CCC[C@@H]1N1CN[C@@H](C)C1=O 306618644 345491683 /nfs/dbraw/zinc/49/16/83/345491683.db2.gz SUGQDEJMWNYXMV-AEJSXWLSSA-N 0 0 196.294 1.343 10 0 ADAERN O[C@H]1CCC[C@@H](Nc2cccnn2)C1 306618943 345491738 /nfs/dbraw/zinc/49/17/38/345491738.db2.gz TYGZHRNUKLPMJB-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@@H]1CCC[C@@H](Nc2cccnn2)C1 306618946 345491742 /nfs/dbraw/zinc/49/17/42/345491742.db2.gz TYGZHRNUKLPMJB-RKDXNWHRSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@@H]1CCC[C@H](Nc2cccnn2)C1 306618944 345491745 /nfs/dbraw/zinc/49/17/45/345491745.db2.gz TYGZHRNUKLPMJB-DTWKUNHWSA-N 0 0 193.250 1.192 10 0 ADAERN CNC(=S)N[C@H]1Cc2ccccc21 306618662 345491815 /nfs/dbraw/zinc/49/18/15/345491815.db2.gz SXCWYQDVHXBUDR-VIFPVBQESA-N 0 0 192.287 1.378 10 0 ADAERN CC[C@@H]1CCC[C@H]1N1CN[C@@H](C)C1=O 306618646 345491842 /nfs/dbraw/zinc/49/18/42/345491842.db2.gz SUGQDEJMWNYXMV-IVZWLZJFSA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@@H]1CCC[C@H]1N1CN[C@H](C)C1=O 306618647 345491844 /nfs/dbraw/zinc/49/18/44/345491844.db2.gz SUGQDEJMWNYXMV-OPRDCNLKSA-N 0 0 196.294 1.343 10 0 ADAERN N[C@@H](c1cccnc1)c1ccns1 306618405 345491904 /nfs/dbraw/zinc/49/19/04/345491904.db2.gz SFNUCVKOSKUESY-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN O[C@H]1CCC[C@H](Nc2cccnn2)C1 306618945 345491909 /nfs/dbraw/zinc/49/19/09/345491909.db2.gz TYGZHRNUKLPMJB-IUCAKERBSA-N 0 0 193.250 1.192 10 0 ADAERN C[C@@H]([C@H]1CCCOC1)N1CC(F)C1 306619395 345492195 /nfs/dbraw/zinc/49/21/95/345492195.db2.gz UZDFDAATDWLYCP-IUCAKERBSA-N 0 0 187.258 1.455 10 0 ADAERN Cc1c(N)ncnc1-c1ccns1 306619530 345492210 /nfs/dbraw/zinc/49/22/10/345492210.db2.gz TXYFEHFMTUXDIO-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@H]([C@@H]1CCCOC1)N1CC(F)C1 306619396 345492235 /nfs/dbraw/zinc/49/22/35/345492235.db2.gz UZDFDAATDWLYCP-RKDXNWHRSA-N 0 0 187.258 1.455 10 0 ADAERN C[C@@H]([C@@H]1CCCOC1)N1CC(F)C1 306619394 345492250 /nfs/dbraw/zinc/49/22/50/345492250.db2.gz UZDFDAATDWLYCP-DTWKUNHWSA-N 0 0 187.258 1.455 10 0 ADAERN CNc1cc(-c2ccns2)ncn1 306619452 345492376 /nfs/dbraw/zinc/49/23/76/345492376.db2.gz SZVJPJQYVLPLGZ-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN Cc1csc(CNC#N)c1 306619152 345492587 /nfs/dbraw/zinc/49/25/87/345492587.db2.gz UMURMLFLQXNJJI-UHFFFAOYSA-N 0 0 152.222 1.627 10 0 ADAERN C[C@H]([C@H]1CCCOC1)N1CC(F)C1 306619393 345492615 /nfs/dbraw/zinc/49/26/15/345492615.db2.gz UZDFDAATDWLYCP-BDAKNGLRSA-N 0 0 187.258 1.455 10 0 ADAERN C[C@@H](C(=O)N[C@H]1C[C@H]1C)C(F)(F)F 306620086 345492789 /nfs/dbraw/zinc/49/27/89/345492789.db2.gz WKYXJPRISKBPEW-SRQIZXRXSA-N 0 0 195.184 1.709 10 0 ADAERN c1nc(NCc2cncs2)c[nH]1 306619639 345492807 /nfs/dbraw/zinc/49/28/07/345492807.db2.gz VOAQZOBAHCWRTG-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN C[C@@H]1CN[C@@H](c2nccn2C)S1 306619994 345492813 /nfs/dbraw/zinc/49/28/13/345492813.db2.gz UMJLGJDDLWEJEX-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@H]1CN[C@@H](c2nccn2C)S1 306620087 345492904 /nfs/dbraw/zinc/49/29/04/345492904.db2.gz UMJLGJDDLWEJEX-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN Cc1c(N)cccc1-c1cn(C)nn1 306620070 345492917 /nfs/dbraw/zinc/49/29/17/345492917.db2.gz WJSRALAPWFDYFQ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H](C)C(F)(F)F 306620085 345492930 /nfs/dbraw/zinc/49/29/30/345492930.db2.gz WKYXJPRISKBPEW-PBXRRBTRSA-N 0 0 195.184 1.709 10 0 ADAERN CCC(=O)Nc1c(CC)ncn1C 306620056 345493079 /nfs/dbraw/zinc/49/30/79/345493079.db2.gz WHZDTIGOQMJCNE-UHFFFAOYSA-N 0 0 181.239 1.331 10 0 ADAERN Cc1coc(NCC2CCOCC2)n1 306619601 345493208 /nfs/dbraw/zinc/49/32/08/345493208.db2.gz VLCICMVIAOQQJS-UHFFFAOYSA-N 0 0 196.250 1.822 10 0 ADAERN CN(c1nnc(CO)s1)C1CCC1 306619999 345493212 /nfs/dbraw/zinc/49/32/12/345493212.db2.gz WBURHSARWKYQNE-UHFFFAOYSA-N 0 0 199.279 1.019 10 0 ADAERN Cc1cnn(C)c1[C@H]1NC[C@H](C)S1 306620209 345493369 /nfs/dbraw/zinc/49/33/69/345493369.db2.gz WNDACXYMLRZZPD-CBAPKCEASA-N 0 0 197.307 1.452 10 0 ADAERN Cc1cnn(C)c1[C@H]1NC[C@@H](C)S1 306620208 345493420 /nfs/dbraw/zinc/49/34/20/345493420.db2.gz WNDACXYMLRZZPD-APPZFPTMSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1cnn(C)c1[C@@H]1NC[C@H](C)S1 306620210 345493434 /nfs/dbraw/zinc/49/34/34/345493434.db2.gz WNDACXYMLRZZPD-IONNQARKSA-N 0 0 197.307 1.452 10 0 ADAERN CC1(C)C[C@H](NC(=O)C2CC2)CO1 306620477 345493451 /nfs/dbraw/zinc/49/34/51/345493451.db2.gz UVILRWGBXCRHDV-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1nnc(N[C@@H](C)[C@H](C)O)s1 306620796 345493463 /nfs/dbraw/zinc/49/34/63/345493463.db2.gz YBFWDMRTLHQXBM-WHFBIAKZSA-N 0 0 187.268 1.028 10 0 ADAERN Cc1nnc(N[C@H](C)[C@@H](C)O)s1 306620794 345493480 /nfs/dbraw/zinc/49/34/80/345493480.db2.gz YBFWDMRTLHQXBM-RFZPGFLSSA-N 0 0 187.268 1.028 10 0 ADAERN C=C(Cl)C(=O)NC1CCC1 306620095 345493495 /nfs/dbraw/zinc/49/34/95/345493495.db2.gz UMVHWLGOGQJABF-UHFFFAOYSA-N 0 0 159.616 1.408 10 0 ADAERN C[C@H]1CN[C@H](c2nccn2C)S1 306620089 345493530 /nfs/dbraw/zinc/49/35/30/345493530.db2.gz UMJLGJDDLWEJEX-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN Cc1cnn(C)c1[C@](C)(O)C(C)C 306620690 345493537 /nfs/dbraw/zinc/49/35/37/345493537.db2.gz XNAHFAHZUKFQJW-SNVBAGLBSA-N 0 0 182.267 1.592 10 0 ADAERN CCCNc1ncc(F)cc1N 306620585 345493581 /nfs/dbraw/zinc/49/35/81/345493581.db2.gz UXWWEMANSRCINY-UHFFFAOYSA-N 0 0 169.203 1.625 10 0 ADAERN Cc1nnc(N[C@@H](C)[C@@H](C)O)s1 306620793 345493584 /nfs/dbraw/zinc/49/35/84/345493584.db2.gz YBFWDMRTLHQXBM-CRCLSJGQSA-N 0 0 187.268 1.028 10 0 ADAERN Cc1nnc(N[C@H](C)[C@H](C)O)s1 306620795 345493596 /nfs/dbraw/zinc/49/35/96/345493596.db2.gz YBFWDMRTLHQXBM-UHNVWZDZSA-N 0 0 187.268 1.028 10 0 ADAERN C[C@@H]1CN[C@H](c2nccn2C)S1 306620088 345493642 /nfs/dbraw/zinc/49/36/42/345493642.db2.gz UMJLGJDDLWEJEX-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN CC1(C)C[C@@H](NC(=O)C2CC2)CO1 306620476 345493683 /nfs/dbraw/zinc/49/36/83/345493683.db2.gz UVILRWGBXCRHDV-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1cnn(C)c1[C@@H]1NC[C@@H](C)S1 306620211 345493741 /nfs/dbraw/zinc/49/37/41/345493741.db2.gz WNDACXYMLRZZPD-VXNVDRBHSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1cnn(C)c1[C@@](C)(O)C(C)C 306620689 345493772 /nfs/dbraw/zinc/49/37/72/345493772.db2.gz XNAHFAHZUKFQJW-JTQLQIEISA-N 0 0 182.267 1.592 10 0 ADAERN c1cnc(S[C@@H]2CCCO2)nc1 306620842 345493887 /nfs/dbraw/zinc/49/38/87/345493887.db2.gz YHBQQYKKSIISPM-SSDOTTSWSA-N 0 0 182.248 1.705 10 0 ADAERN c1cnc(S[C@H]2CCCO2)nc1 306620843 345493889 /nfs/dbraw/zinc/49/38/89/345493889.db2.gz YHBQQYKKSIISPM-ZETCQYMHSA-N 0 0 182.248 1.705 10 0 ADAERN CC1(C)NC(=O)C[C@]12CC[C@@H]1C[C@@H]12 306621799 345494147 /nfs/dbraw/zinc/49/41/47/345494147.db2.gz ZXHDMZLCAJAFRL-FYBVGQRMSA-N 0 0 179.263 1.701 10 0 ADAERN O=c1[nH]cc(NC2CCCC2)c(=O)[nH]1 306621791 345494214 /nfs/dbraw/zinc/49/42/14/345494214.db2.gz WDBRMVNSHRNCRO-UHFFFAOYSA-N 0 0 195.222 1.242 10 0 ADAERN C[C@@H]1C[C@]1(C)OC(=O)c1csnn1 306622027 345494434 /nfs/dbraw/zinc/49/44/34/345494434.db2.gz CGUJZQYRADKUHR-XRGYYRRGSA-N 0 0 198.247 1.493 10 0 ADAERN CC1(C)NC(=O)C[C@]12CC[C@H]1C[C@H]12 306621803 345494303 /nfs/dbraw/zinc/49/43/03/345494303.db2.gz ZXHDMZLCAJAFRL-RNSXUZJQSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@H]1C[C@@]1(C)OC(=O)c1csnn1 306622033 345494369 /nfs/dbraw/zinc/49/43/69/345494369.db2.gz CGUJZQYRADKUHR-YLWLKBPMSA-N 0 0 198.247 1.493 10 0 ADAERN C[C@@H]1C[C@@]1(C)OC(=O)c1csnn1 306622016 345494380 /nfs/dbraw/zinc/49/43/80/345494380.db2.gz CGUJZQYRADKUHR-SVGQVSJJSA-N 0 0 198.247 1.493 10 0 ADAERN CCNC(=S)N1CCC[C@@H]1C1CC1 306621956 345494448 /nfs/dbraw/zinc/49/44/48/345494448.db2.gz CGAQFUKHXDULCP-SECBINFHSA-N 0 0 198.335 1.755 10 0 ADAERN CCNC(=S)N1CCC[C@H]1C1CC1 306621979 345494465 /nfs/dbraw/zinc/49/44/65/345494465.db2.gz CGAQFUKHXDULCP-VIFPVBQESA-N 0 0 198.335 1.755 10 0 ADAERN Cn1ccnc1SC(C)(C)CO 306622008 345494473 /nfs/dbraw/zinc/49/44/73/345494473.db2.gz AFHQXULTUIHAFM-UHFFFAOYSA-N 0 0 186.280 1.283 10 0 ADAERN C[C@H]1C[C@]1(C)OC(=O)c1csnn1 306622022 345494480 /nfs/dbraw/zinc/49/44/80/345494480.db2.gz CGUJZQYRADKUHR-XNCJUZBTSA-N 0 0 198.247 1.493 10 0 ADAERN S=C(NC1CC1)N1C[C@@H]2CCC[C@H]21 306622659 345494667 /nfs/dbraw/zinc/49/46/67/345494667.db2.gz DASLZUSUNXLAFN-IONNQARKSA-N 0 0 196.319 1.508 10 0 ADAERN Cc1sccc1[C@@H]1COCC(=O)N1 306622516 345494700 /nfs/dbraw/zinc/49/47/00/345494700.db2.gz CYUSLYYHMKGTFA-QMMMGPOBSA-N 0 0 197.259 1.244 10 0 ADAERN Nc1cc(O)cnc1C(F)(F)F 306622906 345494806 /nfs/dbraw/zinc/49/48/06/345494806.db2.gz BDZYFFGFBMHVRE-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN Cc1sccc1[C@H]1COCC(=O)N1 306622513 345494813 /nfs/dbraw/zinc/49/48/13/345494813.db2.gz CYUSLYYHMKGTFA-MRVPVSSYSA-N 0 0 197.259 1.244 10 0 ADAERN S=C(NC1CC1)N1C[C@H]2CCC[C@@H]21 306622657 345494883 /nfs/dbraw/zinc/49/48/83/345494883.db2.gz DASLZUSUNXLAFN-APPZFPTMSA-N 0 0 196.319 1.508 10 0 ADAERN CC(C)[C@H](C)n1nc(N)cc1N 306622558 345494957 /nfs/dbraw/zinc/49/49/57/345494957.db2.gz ASDMJFQAVYTVED-LURJTMIESA-N 0 0 168.244 1.265 10 0 ADAERN CC(C)Nc1ncc(F)cc1N 306622716 345495001 /nfs/dbraw/zinc/49/50/01/345495001.db2.gz WMYLOZOJJFJENL-UHFFFAOYSA-N 0 0 169.203 1.623 10 0 ADAERN O=c1[nH]ccn1[C@H]1CCCC1(F)F 306622704 345495030 /nfs/dbraw/zinc/49/50/30/345495030.db2.gz WMRFOFATFNFFMC-LURJTMIESA-N 0 0 188.177 1.537 10 0 ADAERN S=C(NC1CC1)N1C[C@H]2CCC[C@H]21 306622660 345495045 /nfs/dbraw/zinc/49/50/45/345495045.db2.gz DASLZUSUNXLAFN-VXNVDRBHSA-N 0 0 196.319 1.508 10 0 ADAERN S=C(NC1CC1)N1C[C@@H]2CCC[C@@H]21 306622658 345495067 /nfs/dbraw/zinc/49/50/67/345495067.db2.gz DASLZUSUNXLAFN-CBAPKCEASA-N 0 0 196.319 1.508 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CCCC1(F)F 306622705 345495069 /nfs/dbraw/zinc/49/50/69/345495069.db2.gz WMRFOFATFNFFMC-ZCFIWIBFSA-N 0 0 188.177 1.537 10 0 ADAERN CC(C)[C@@H](C)n1nc(N)cc1N 306622559 345495075 /nfs/dbraw/zinc/49/50/75/345495075.db2.gz ASDMJFQAVYTVED-ZCFIWIBFSA-N 0 0 168.244 1.265 10 0 ADAERN C[C@H]1CNc2cccnc2N(C)C1 306623125 345495130 /nfs/dbraw/zinc/49/51/30/345495130.db2.gz DEYWMRQLQCGQEH-QMMMGPOBSA-N 0 0 177.251 1.579 10 0 ADAERN CC[C@H]1CCC[C@@]12CNC(=O)CO2 306623132 345495137 /nfs/dbraw/zinc/49/51/37/345495137.db2.gz DFDZSKIUWHIZPJ-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@H]1CNc2cccnc2N(C)C1 306623124 345495169 /nfs/dbraw/zinc/49/51/69/345495169.db2.gz DEYWMRQLQCGQEH-MRVPVSSYSA-N 0 0 177.251 1.579 10 0 ADAERN CNC(=O)NC(C)(C)C1CCC1 306623182 345495179 /nfs/dbraw/zinc/49/51/79/345495179.db2.gz WTYBLOWGULUJQW-UHFFFAOYSA-N 0 0 170.256 1.494 10 0 ADAERN CCC[C@@]1(CC)CNC(=O)CO1 306623587 345495256 /nfs/dbraw/zinc/49/52/56/345495256.db2.gz DLMNSFGFYLEELT-VIFPVBQESA-N 0 0 171.240 1.082 10 0 ADAERN CC[C@@H]1CCC[C@]12CNC(=O)CO2 306623131 345495272 /nfs/dbraw/zinc/49/52/72/345495272.db2.gz DFDZSKIUWHIZPJ-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H]1CCC[C@]12CNC(=O)CO2 306623133 345495301 /nfs/dbraw/zinc/49/53/01/345495301.db2.gz DFDZSKIUWHIZPJ-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@@H]1CCC[C@@]12CNC(=O)CO2 306623130 345495305 /nfs/dbraw/zinc/49/53/05/345495305.db2.gz DFDZSKIUWHIZPJ-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN CCC[C@]1(CC)CNC(=O)CO1 306623586 345495373 /nfs/dbraw/zinc/49/53/73/345495373.db2.gz DLMNSFGFYLEELT-SECBINFHSA-N 0 0 171.240 1.082 10 0 ADAERN CC1(Cc2cc(N)n[nH]2)CC1 306623216 345495376 /nfs/dbraw/zinc/49/53/76/345495376.db2.gz WWFGGBBHTIRLGH-UHFFFAOYSA-N 0 0 151.213 1.335 10 0 ADAERN COCc1nnc(N2CCCC2)s1 306623118 345495400 /nfs/dbraw/zinc/49/54/00/345495400.db2.gz DEIWTJUHUSITGZ-UHFFFAOYSA-N 0 0 199.279 1.285 10 0 ADAERN Cc1[nH]ccc1C(=O)N1CCSC1 306623085 345495444 /nfs/dbraw/zinc/49/54/44/345495444.db2.gz DCBOAWOAKDMTDM-UHFFFAOYSA-N 0 0 196.275 1.470 10 0 ADAERN C[C@@](O)(c1cncnc1)C1CCCC1 306623679 345495450 /nfs/dbraw/zinc/49/54/50/345495450.db2.gz DQUBAXSDXXSEPB-NSHDSACASA-N 0 0 192.262 1.874 10 0 ADAERN CC1(C)CC(NC(=O)N2CCCC2)C1 306623140 345495531 /nfs/dbraw/zinc/49/55/31/345495531.db2.gz DFTIHDZOOCVKIV-UHFFFAOYSA-N 0 0 196.294 1.980 10 0 ADAERN Nc1ccc(N2CC=CCC2)cn1 306623818 345495983 /nfs/dbraw/zinc/49/59/83/345495983.db2.gz BUNBCEUDAQTMHI-UHFFFAOYSA-N 0 0 175.235 1.430 10 0 ADAERN CCC(=O)[C@H]1COC(C)(C)C1 306624154 345495827 /nfs/dbraw/zinc/49/58/27/345495827.db2.gz BWNABOWEXBEXGP-SSDOTTSWSA-N 0 0 156.225 1.781 10 0 ADAERN CCC(=O)[C@@H]1COC(C)(C)C1 306624155 345495875 /nfs/dbraw/zinc/49/58/75/345495875.db2.gz BWNABOWEXBEXGP-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN C=C(Cl)C(=O)Nc1n[nH]cc1CC 306624000 345495967 /nfs/dbraw/zinc/49/59/67/345495967.db2.gz XFPCMPNDNIQAML-UHFFFAOYSA-N 0 0 199.641 1.663 10 0 ADAERN C=C(Cl)C(=O)NC(C)C 306624404 345495969 /nfs/dbraw/zinc/49/59/69/345495969.db2.gz XNIQDGFKAGRFQI-UHFFFAOYSA-N 0 0 147.605 1.264 10 0 ADAERN Cc1nnc(N(C)CC2CC2)o1 306624151 345495992 /nfs/dbraw/zinc/49/59/92/345495992.db2.gz FOJQQZSEQBLXFZ-UHFFFAOYSA-N 0 0 167.212 1.224 10 0 ADAERN CC(C)CNc1cncc(=O)[nH]1 306625004 345496240 /nfs/dbraw/zinc/49/62/40/345496240.db2.gz GKHLXPDJWBBXAU-UHFFFAOYSA-N 0 0 167.212 1.250 10 0 ADAERN CCCCN1N=C(C)[C@H](F)C1=O 306624883 345496376 /nfs/dbraw/zinc/49/63/76/345496376.db2.gz GBLMECXPLDOSHJ-ZETCQYMHSA-N 0 0 172.203 1.343 10 0 ADAERN C=C(Cl)C(=O)Nc1cc[nH]n1 306624806 345496458 /nfs/dbraw/zinc/49/64/58/345496458.db2.gz XSMXHPJGXIFGBU-UHFFFAOYSA-N 0 0 171.587 1.101 10 0 ADAERN CC(C)n1c(N)[nH+]c2c1CCOC2 306624690 345496483 /nfs/dbraw/zinc/49/64/83/345496483.db2.gz GBHIIDSTRZGQJZ-UHFFFAOYSA-N 0 0 181.239 1.119 10 0 ADAERN CC(=O)NC(C)(C)C(F)F 306624600 345496525 /nfs/dbraw/zinc/49/65/25/345496525.db2.gz FYASFDXIENGXII-UHFFFAOYSA-N 0 0 151.156 1.166 10 0 ADAERN CCCCN1N=C(C)[C@@H](F)C1=O 306624882 345496531 /nfs/dbraw/zinc/49/65/31/345496531.db2.gz GBLMECXPLDOSHJ-SSDOTTSWSA-N 0 0 172.203 1.343 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cncnc1 306625099 345497069 /nfs/dbraw/zinc/49/70/69/345497069.db2.gz XYWZDCWFXGGIPY-IUCAKERBSA-N 0 0 162.192 1.169 10 0 ADAERN Cc1nnc(-c2n[nH]c(C)c2C)o1 306625544 345497079 /nfs/dbraw/zinc/49/70/79/345497079.db2.gz GWLNMRFKCKOMRC-UHFFFAOYSA-N 0 0 178.195 1.385 10 0 ADAERN Nc1nc(-c2ccncc2Cl)no1 306625264 345497089 /nfs/dbraw/zinc/49/70/89/345497089.db2.gz GNXGEBOTCPSTRO-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN CN=C1NN=C(c2ccc[nH]2)CS1 306625329 345497124 /nfs/dbraw/zinc/49/71/24/345497124.db2.gz GTOARZSEMNQSDF-UHFFFAOYSA-N 0 0 194.263 1.041 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cncnc1 306625100 345497197 /nfs/dbraw/zinc/49/71/97/345497197.db2.gz XYWZDCWFXGGIPY-RKDXNWHRSA-N 0 0 162.192 1.169 10 0 ADAERN Cc1cnn(C[C@H](O)c2ccoc2)c1 306625301 345497201 /nfs/dbraw/zinc/49/72/01/345497201.db2.gz GPUULLRBOGOFTE-JTQLQIEISA-N 0 0 192.218 1.518 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cncnc1 306625097 345497212 /nfs/dbraw/zinc/49/72/12/345497212.db2.gz XYWZDCWFXGGIPY-BDAKNGLRSA-N 0 0 162.192 1.169 10 0 ADAERN CCCn1c(C)c(N)ccc1=O 306625322 345497228 /nfs/dbraw/zinc/49/72/28/345497228.db2.gz GSYKZYXWHRLQDT-UHFFFAOYSA-N 0 0 166.224 1.149 10 0 ADAERN Cc1cnn(C[C@@H](O)c2ccoc2)c1 306625304 345497280 /nfs/dbraw/zinc/49/72/80/345497280.db2.gz GPUULLRBOGOFTE-SNVBAGLBSA-N 0 0 192.218 1.518 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cncnc1 306625098 345497306 /nfs/dbraw/zinc/49/73/06/345497306.db2.gz XYWZDCWFXGGIPY-DTWKUNHWSA-N 0 0 162.192 1.169 10 0 ADAERN O=Cc1cnc(Cn2ccnc2)s1 306625239 345497312 /nfs/dbraw/zinc/49/73/12/345497312.db2.gz GMXCOSMAMRVHHH-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN Cc1ccccc1CONC(N)=O 306625590 345497613 /nfs/dbraw/zinc/49/76/13/345497613.db2.gz GZPOGUCCPLFZFR-UHFFFAOYSA-N 0 0 180.207 1.095 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)C1=CCCC1 306625892 345497684 /nfs/dbraw/zinc/49/76/84/345497684.db2.gz HFXVIWRSIANCAB-CBAPKCEASA-N 0 0 165.236 1.621 10 0 ADAERN CCCCSC[C@@H](O)CF 306626413 345498100 /nfs/dbraw/zinc/49/81/00/345498100.db2.gz HVUNRZSYRLOLFC-ZETCQYMHSA-N 0 0 166.261 1.850 10 0 ADAERN Cc1noc([C@@H](C)NC2CCC2)n1 306626736 345498102 /nfs/dbraw/zinc/49/81/02/345498102.db2.gz IECMHNFHVQQBNR-ZCFIWIBFSA-N 0 0 181.239 1.581 10 0 ADAERN Cc1noc([C@H](C)NC2CCC2)n1 306626735 345498105 /nfs/dbraw/zinc/49/81/05/345498105.db2.gz IECMHNFHVQQBNR-LURJTMIESA-N 0 0 181.239 1.581 10 0 ADAERN C[C@@H]1[C@@H](Nc2ncccn2)C[C@H]1C 306626405 345498236 /nfs/dbraw/zinc/49/82/36/345498236.db2.gz HVOYTXHTMCZTPM-VGMNWLOBSA-N 0 0 177.251 1.933 10 0 ADAERN c1c[nH]c(N2CC3CCC2CC3)n1 306626494 345498270 /nfs/dbraw/zinc/49/82/70/345498270.db2.gz YWBWOCCHSLXNPT-UHFFFAOYSA-N 0 0 177.251 1.789 10 0 ADAERN C[C@@H]1C[C@H](Nc2ncccn2)[C@@H]1C 306626402 345498283 /nfs/dbraw/zinc/49/82/83/345498283.db2.gz HVOYTXHTMCZTPM-HLTSFMKQSA-N 0 0 177.251 1.933 10 0 ADAERN CCCCSC[C@H](O)CF 306626412 345498304 /nfs/dbraw/zinc/49/83/04/345498304.db2.gz HVUNRZSYRLOLFC-SSDOTTSWSA-N 0 0 166.261 1.850 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1ncccn1 306626403 345498314 /nfs/dbraw/zinc/49/83/14/345498314.db2.gz HVOYTXHTMCZTPM-HRDYMLBCSA-N 0 0 177.251 1.933 10 0 ADAERN Fc1cc(=S)c(F)c[nH]1 306626684 345498325 /nfs/dbraw/zinc/49/83/25/345498325.db2.gz HZYXCDHMKINZLP-UHFFFAOYSA-N 0 0 147.149 1.649 10 0 ADAERN Cn1cc([C@@](C)(O)C2CCCC2)cn1 306627000 345498614 /nfs/dbraw/zinc/49/86/14/345498614.db2.gz ILNVDAFWMKFYKR-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CC(C)(C1CCC1)N1CCNC1=O 306627085 345498628 /nfs/dbraw/zinc/49/86/28/345498628.db2.gz ZGLVCTUWYCKNLA-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN Cn1cnnc1NCc1ccoc1 306626890 345498637 /nfs/dbraw/zinc/49/86/37/345498637.db2.gz IQXFQQAEFCPUCX-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN Nc1ncc(F)c(-c2ccns2)n1 306627086 345498673 /nfs/dbraw/zinc/49/86/73/345498673.db2.gz ZGMCPMIPMOGWKX-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN Cc1sc(Cn2ccnc2)nc1N 306626982 345498680 /nfs/dbraw/zinc/49/86/80/345498680.db2.gz IJRJXAVGZJLKEM-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1C1CCCCC1 306626783 345498738 /nfs/dbraw/zinc/49/87/38/345498738.db2.gz YYKYNHXDMURAGY-WPRPVWTQSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H]1C(=O)NC[C@H]1C1CCCCC1 306626780 345498750 /nfs/dbraw/zinc/49/87/50/345498750.db2.gz YYKYNHXDMURAGY-PSASIEDQSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1C1CCCCC1 306626782 345498759 /nfs/dbraw/zinc/49/87/59/345498759.db2.gz YYKYNHXDMURAGY-WCBMZHEXSA-N 0 0 181.279 1.949 10 0 ADAERN Cn1cc([C@](C)(O)C2CCCC2)cn1 306626999 345498855 /nfs/dbraw/zinc/49/88/55/345498855.db2.gz ILNVDAFWMKFYKR-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN C[C@H]1C(=O)NC[C@@H]1C1CCCCC1 306626781 345498861 /nfs/dbraw/zinc/49/88/61/345498861.db2.gz YYKYNHXDMURAGY-SCZZXKLOSA-N 0 0 181.279 1.949 10 0 ADAERN CC1(C2(n3cnc(N)n3)CC2)CC1 306626802 345498866 /nfs/dbraw/zinc/49/88/66/345498866.db2.gz ZATVNYQJLGDJHO-UHFFFAOYSA-N 0 0 178.239 1.150 10 0 ADAERN O=C1CSC(Cn2ccnc2)=N1 306627785 345499067 /nfs/dbraw/zinc/49/90/67/345499067.db2.gz JBEBBSNQXFPEKQ-UHFFFAOYSA-N 0 0 181.220 1.094 10 0 ADAERN Nc1cc(F)cnc1NCCF 306627623 345499257 /nfs/dbraw/zinc/49/92/57/345499257.db2.gz ZRHBPMLUPSUYBW-UHFFFAOYSA-N 0 0 173.166 1.184 10 0 ADAERN CCNc1ncc2c(n1)[C@@H]1C[C@@H]1CC2 306627815 345499273 /nfs/dbraw/zinc/49/92/73/345499273.db2.gz JCQGADGGEUQNQS-IONNQARKSA-N 0 0 189.262 1.958 10 0 ADAERN Cc1nc(CC2(C)CC2)n[nH]1 306627584 345499291 /nfs/dbraw/zinc/49/92/91/345499291.db2.gz ZOLMIBBCHRUAPW-UHFFFAOYSA-N 0 0 151.213 1.456 10 0 ADAERN CCNc1ncc2c(n1)[C@H]1C[C@H]1CC2 306627812 345499302 /nfs/dbraw/zinc/49/93/02/345499302.db2.gz JCQGADGGEUQNQS-APPZFPTMSA-N 0 0 189.262 1.958 10 0 ADAERN CC1(C)CN(c2ccc(C=O)cn2)C1 306628991 345499553 /nfs/dbraw/zinc/49/95/53/345499553.db2.gz DFZHPMQFYCIDJA-UHFFFAOYSA-N 0 0 190.246 1.740 10 0 ADAERN C[C@@]1(CNc2nncs2)CCOC1 306628747 345499679 /nfs/dbraw/zinc/49/96/79/345499679.db2.gz CXZBDXCWPORYTQ-QMMMGPOBSA-N 0 0 199.279 1.377 10 0 ADAERN Cn1ncc([C@H]2CCCC(=O)C2)n1 306628329 345499749 /nfs/dbraw/zinc/49/97/49/345499749.db2.gz KBQVGXNRVIFOMZ-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN C[C@]1(CNc2nncs2)CCOC1 306628746 345499756 /nfs/dbraw/zinc/49/97/56/345499756.db2.gz CXZBDXCWPORYTQ-MRVPVSSYSA-N 0 0 199.279 1.377 10 0 ADAERN Cn1ncc([C@@H]2CCCC(=O)C2)n1 306628328 345499782 /nfs/dbraw/zinc/49/97/82/345499782.db2.gz KBQVGXNRVIFOMZ-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN Clc1ccc(N2CCCCN2)nn1 306628729 345499791 /nfs/dbraw/zinc/49/97/91/345499791.db2.gz CWHATAIRDRTCIB-UHFFFAOYSA-N 0 0 198.657 1.235 10 0 ADAERN O=C1OC[C@H](Sc2ncco2)O1 306629735 345500098 /nfs/dbraw/zinc/50/00/98/345500098.db2.gz KINOZMMSNRYITP-BYPYZUCNSA-N 0 0 187.176 1.260 10 0 ADAERN Cc1nnsc1/C=C/[C@H](C)O 306629589 345500100 /nfs/dbraw/zinc/50/01/00/345500100.db2.gz KBTKLBVSLKNFHB-BHYDHMSTSA-N 0 0 170.237 1.241 10 0 ADAERN CCCC(C)(C)Nc1n[nH]c(N)n1 306629747 345500102 /nfs/dbraw/zinc/50/01/02/345500102.db2.gz KIQVXBMIHZQHQA-UHFFFAOYSA-N 0 0 183.259 1.378 10 0 ADAERN CC(C)S[C@@H]1CCNC1=O 306629630 345500174 /nfs/dbraw/zinc/50/01/74/345500174.db2.gz KDTPDFYHJZOIOC-ZCFIWIBFSA-N 0 0 159.254 1.017 10 0 ADAERN Cc1nnsc1/C=C/[C@@H](C)O 306629590 345500185 /nfs/dbraw/zinc/50/01/85/345500185.db2.gz KBTKLBVSLKNFHB-QLSVQJPWSA-N 0 0 170.237 1.241 10 0 ADAERN O=C1OC[C@@H](Sc2ncco2)O1 306629737 345500196 /nfs/dbraw/zinc/50/01/96/345500196.db2.gz KINOZMMSNRYITP-SCSAIBSYSA-N 0 0 187.176 1.260 10 0 ADAERN CC(C)[C@H](C)n1ncnc1N 306630013 345500201 /nfs/dbraw/zinc/50/02/01/345500201.db2.gz FCZIRCKZVMCRHI-LURJTMIESA-N 0 0 154.217 1.077 10 0 ADAERN CC(C)S[C@H]1CCNC1=O 306629628 345500264 /nfs/dbraw/zinc/50/02/64/345500264.db2.gz KDTPDFYHJZOIOC-LURJTMIESA-N 0 0 159.254 1.017 10 0 ADAERN Cc1occc1C(=O)N(C)C#N 306630434 345500785 /nfs/dbraw/zinc/50/07/85/345500785.db2.gz MIVUSGFYHDKLQI-UHFFFAOYSA-N 0 0 164.164 1.141 10 0 ADAERN Cc1ncsc1C(=O)c1ncc[nH]1 306630440 345500826 /nfs/dbraw/zinc/50/08/26/345500826.db2.gz MJKAUOSAAIBFQE-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN Cc1cc(F)c(C(=O)CN)c(F)c1 306631508 345501407 /nfs/dbraw/zinc/50/14/07/345501407.db2.gz DGEZKBPYQGJXKG-UHFFFAOYSA-N 0 0 185.173 1.415 10 0 ADAERN Cc1ccc(Cl)c(NCCO)n1 306631357 345501452 /nfs/dbraw/zinc/50/14/52/345501452.db2.gz NMBVEDDLGHOGBR-UHFFFAOYSA-N 0 0 186.642 1.448 10 0 ADAERN C[C@H](NC(=O)N[C@@H]1C[C@H]1C)C1CC1 306631631 345501455 /nfs/dbraw/zinc/50/14/55/345501455.db2.gz NZTIEOSSURWZSC-BKPPORCPSA-N 0 0 182.267 1.493 10 0 ADAERN Nc1ccnn1[C@@H]1CC[C@H]2C[C@H]21 306632022 345501458 /nfs/dbraw/zinc/50/14/58/345501458.db2.gz OLSRGDZBACBWJS-XLPZGREQSA-N 0 0 163.224 1.436 10 0 ADAERN C[C@@H](NN)c1sccc1F 306631628 345501463 /nfs/dbraw/zinc/50/14/63/345501463.db2.gz NZPGAMABHGMSJX-SCSAIBSYSA-N 0 0 160.217 1.412 10 0 ADAERN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C)C1CC1 306631633 345501465 /nfs/dbraw/zinc/50/14/65/345501465.db2.gz NZTIEOSSURWZSC-ZXFLCMHBSA-N 0 0 182.267 1.493 10 0 ADAERN C[C@H]1CN(C(N)=S)c2ccccc21 306631528 345501590 /nfs/dbraw/zinc/50/15/90/345501590.db2.gz DIBQAMLKVJYVNJ-ZETCQYMHSA-N 0 0 192.287 1.854 10 0 ADAERN Nc1ccnn1[C@@H]1CC[C@@H]2C[C@@H]21 306632021 345501637 /nfs/dbraw/zinc/50/16/37/345501637.db2.gz OLSRGDZBACBWJS-GJMOJQLCSA-N 0 0 163.224 1.436 10 0 ADAERN C[C@@H]1CN(C(N)=S)c2ccccc21 306631527 345501643 /nfs/dbraw/zinc/50/16/43/345501643.db2.gz DIBQAMLKVJYVNJ-SSDOTTSWSA-N 0 0 192.287 1.854 10 0 ADAERN C[C@H](NN)c1sccc1F 306631627 345501648 /nfs/dbraw/zinc/50/16/48/345501648.db2.gz NZPGAMABHGMSJX-BYPYZUCNSA-N 0 0 160.217 1.412 10 0 ADAERN CNC(=O)[C@@H](C)SC(C)(C)C 306632818 345501903 /nfs/dbraw/zinc/50/19/03/345501903.db2.gz PYXYSKROCOPTER-ZCFIWIBFSA-N 0 0 175.297 1.653 10 0 ADAERN C/C(=C\c1ccccc1C=O)CO 306632082 345501920 /nfs/dbraw/zinc/50/19/20/345501920.db2.gz OSXHCMSZMAZUHR-RMKNXTFCSA-N 0 0 176.215 1.895 10 0 ADAERN CCNC(=O)N[C@@H]1CCCC1(F)F 306632338 345501924 /nfs/dbraw/zinc/50/19/24/345501924.db2.gz OYFWZFGVINGTHJ-ZCFIWIBFSA-N 0 0 192.209 1.493 10 0 ADAERN CCNC(=O)N[C@H]1CCCC1(F)F 306632337 345502058 /nfs/dbraw/zinc/50/20/58/345502058.db2.gz OYFWZFGVINGTHJ-LURJTMIESA-N 0 0 192.209 1.493 10 0 ADAERN CNC(=O)[C@H](C)SC(C)(C)C 306632817 345502251 /nfs/dbraw/zinc/50/22/51/345502251.db2.gz PYXYSKROCOPTER-LURJTMIESA-N 0 0 175.297 1.653 10 0 ADAERN CCCC(=O)c1cn[nH]c1 306633470 345502633 /nfs/dbraw/zinc/50/26/33/345502633.db2.gz RLEZBJROPPXQGL-UHFFFAOYSA-N 0 0 138.170 1.393 10 0 ADAERN FC(F)c1nnc(NC2CC2)o1 306634278 345502682 /nfs/dbraw/zinc/50/26/82/345502682.db2.gz VHLWAPMQFCOIQP-UHFFFAOYSA-N 0 0 175.138 1.582 10 0 ADAERN Cc1nc(-c2nc(C=O)cs2)co1 306633795 345502764 /nfs/dbraw/zinc/50/27/64/345502764.db2.gz SOIHIKLWRCARSI-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CNc1cnc(OC(F)(F)F)cn1 306633876 345502799 /nfs/dbraw/zinc/50/27/99/345502799.db2.gz SWPUSBKMXXYVEO-UHFFFAOYSA-N 0 0 193.128 1.417 10 0 ADAERN CCc1nc(C[C@@H]2CCCO2)no1 306634446 345503145 /nfs/dbraw/zinc/50/31/45/345503145.db2.gz VWDGWGAQDCUHTN-ZETCQYMHSA-N 0 0 182.223 1.354 10 0 ADAERN Nc1n[nH]c(-c2sccc2F)n1 306634642 345503237 /nfs/dbraw/zinc/50/32/37/345503237.db2.gz WMTUMIIQRXZFDT-UHFFFAOYSA-N 0 0 184.199 1.255 10 0 ADAERN CN(C)C(=O)c1cc2c([nH]1)CCC2 306635285 345503260 /nfs/dbraw/zinc/50/32/60/345503260.db2.gz ZGIHNWQPUPSTAQ-UHFFFAOYSA-N 0 0 178.235 1.205 10 0 ADAERN CCc1nc(C[C@H]2CCCO2)no1 306634445 345503262 /nfs/dbraw/zinc/50/32/62/345503262.db2.gz VWDGWGAQDCUHTN-SSDOTTSWSA-N 0 0 182.223 1.354 10 0 ADAERN Clc1c[nH]c(-c2nnco2)c1 306635147 345503279 /nfs/dbraw/zinc/50/32/79/345503279.db2.gz YLSMDVKYMPUCCF-UHFFFAOYSA-N 0 0 169.571 1.718 10 0 ADAERN C[C@H]1CC2(CC(=O)NC(=O)C2)[C@@H]1C 306635557 345503643 /nfs/dbraw/zinc/50/36/43/345503643.db2.gz ADIFNFDZNYPDMN-NKWVEPMBSA-N 0 0 181.235 1.085 10 0 ADAERN Cn1cccc1CNc1ncns1 306635580 345503822 /nfs/dbraw/zinc/50/38/22/345503822.db2.gz ACSQXNYPBSNETI-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN C[C@H]1[C@H](C)CC12CC(=O)NC(=O)C2 306635570 345503824 /nfs/dbraw/zinc/50/38/24/345503824.db2.gz ADIFNFDZNYPDMN-RQJHMYQMSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@H]1CC2(CC(=O)NC(=O)C2)[C@H]1C 306635551 345503873 /nfs/dbraw/zinc/50/38/73/345503873.db2.gz ADIFNFDZNYPDMN-BQBZGAKWSA-N 0 0 181.235 1.085 10 0 ADAERN CO[C@H](C)c1ncn(C2CC2)c1N 306635970 345504221 /nfs/dbraw/zinc/50/42/21/345504221.db2.gz AOARXBRHUYIIBU-ZCFIWIBFSA-N 0 0 181.239 1.508 10 0 ADAERN CCCOC(=O)Nc1cnc(C)nc1 306636029 345504373 /nfs/dbraw/zinc/50/43/73/345504373.db2.gz APILTYGGVPZJCZ-UHFFFAOYSA-N 0 0 195.222 1.744 10 0 ADAERN COc1ncc(C2(O)CC(C)C2)cn1 306636143 345504436 /nfs/dbraw/zinc/50/44/36/345504436.db2.gz AUVZUWVDPQVOCZ-UHFFFAOYSA-N 0 0 194.234 1.103 10 0 ADAERN C[C@H](O)[C@H](C)Nc1ccc(N)c(N)c1 306636461 345504483 /nfs/dbraw/zinc/50/44/83/345504483.db2.gz LWHVRBKPXIRXDW-BQBZGAKWSA-N 0 0 195.266 1.032 10 0 ADAERN CO[C@@H](C)c1ncn(C2CC2)c1N 306635968 345504606 /nfs/dbraw/zinc/50/46/06/345504606.db2.gz AOARXBRHUYIIBU-LURJTMIESA-N 0 0 181.239 1.508 10 0 ADAERN CC1CC(C(=O)N[C@@H]2C[C@@H]2C)C1 306636866 345504937 /nfs/dbraw/zinc/50/49/37/345504937.db2.gz MAKDSCXXIKFGGC-GPCQJSLASA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ccc(N)c(N)c1 306636464 345504963 /nfs/dbraw/zinc/50/49/63/345504963.db2.gz LWHVRBKPXIRXDW-RQJHMYQMSA-N 0 0 195.266 1.032 10 0 ADAERN CC(=O)O[C@@H](C)c1cnn(C)c1 306636722 345504973 /nfs/dbraw/zinc/50/49/73/345504973.db2.gz LZBXFDBFQGVWKP-LURJTMIESA-N 0 0 168.196 1.044 10 0 ADAERN CC1CC(C(=O)N[C@H]2C[C@H]2C)C1 306636876 345504988 /nfs/dbraw/zinc/50/49/88/345504988.db2.gz MAKDSCXXIKFGGC-VBSAPZBBSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H](Nc1ccc(N)c(N)c1)[C@@H](C)O 306636462 345504994 /nfs/dbraw/zinc/50/49/94/345504994.db2.gz LWHVRBKPXIRXDW-NKWVEPMBSA-N 0 0 195.266 1.032 10 0 ADAERN CO[C@H](C)c1ncn(C(C)(C)C)c1N 306636468 345505005 /nfs/dbraw/zinc/50/50/05/345505005.db2.gz AQWWLRZQVLXSOQ-SSDOTTSWSA-N 0 0 197.282 1.928 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1ccc(N)c(N)c1 306636463 345505012 /nfs/dbraw/zinc/50/50/12/345505012.db2.gz LWHVRBKPXIRXDW-RNFRBKRXSA-N 0 0 195.266 1.032 10 0 ADAERN CC1CC(C(=O)N[C@@H]2C[C@H]2C)C1 306636873 345505062 /nfs/dbraw/zinc/50/50/62/345505062.db2.gz MAKDSCXXIKFGGC-SRKTWWLUSA-N 0 0 167.252 1.557 10 0 ADAERN C[N@H+](Cc1ccnc(N)n1)C(C)(C)C 306636967 345505088 /nfs/dbraw/zinc/50/50/88/345505088.db2.gz BIYKRLSHZDMWCC-UHFFFAOYSA-N 0 0 194.282 1.289 10 0 ADAERN CSc1c[nH]nc1NC(=O)C1CC1 306636716 345505103 /nfs/dbraw/zinc/50/51/03/345505103.db2.gz BBDRFJKJMURMCN-UHFFFAOYSA-N 0 0 197.263 1.480 10 0 ADAERN Cc1cc([C@H](NN)C(F)F)sn1 306636974 345505104 /nfs/dbraw/zinc/50/51/04/345505104.db2.gz BJJHOPFEPHPJIV-YFKPBYRVSA-N 0 0 193.222 1.221 10 0 ADAERN Cc1cc([C@@H](NN)C(F)F)sn1 306636972 345505106 /nfs/dbraw/zinc/50/51/06/345505106.db2.gz BJJHOPFEPHPJIV-RXMQYKEDSA-N 0 0 193.222 1.221 10 0 ADAERN CC1CC(C(=O)N[C@H]2C[C@@H]2C)C1 306636869 345505120 /nfs/dbraw/zinc/50/51/20/345505120.db2.gz MAKDSCXXIKFGGC-QKZHKQSRSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H](N1CN=NC1=S)C(F)(F)F 306637369 345505433 /nfs/dbraw/zinc/50/54/33/345505433.db2.gz BMMKFDWVUQBRRQ-GSVOUGTGSA-N 0 0 197.185 1.690 10 0 ADAERN Cc1nn(C)cc1-c1ccc(O)cn1 306637215 345505510 /nfs/dbraw/zinc/50/55/10/345505510.db2.gz FHQHWUJSHMLPIK-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN C[C@H](N1CN=NC1=S)C(F)(F)F 306637370 345505569 /nfs/dbraw/zinc/50/55/69/345505569.db2.gz BMMKFDWVUQBRRQ-VKHMYHEASA-N 0 0 197.185 1.690 10 0 ADAERN C[C@H](Nc1nnco1)[C@H]1CCCO1 306637179 345505626 /nfs/dbraw/zinc/50/56/26/345505626.db2.gz FDNWGBXVPGSFFC-NKWVEPMBSA-N 0 0 183.211 1.049 10 0 ADAERN C[C@@H](Nc1nnco1)[C@@H]1CCCO1 306637181 345505635 /nfs/dbraw/zinc/50/56/35/345505635.db2.gz FDNWGBXVPGSFFC-RQJHMYQMSA-N 0 0 183.211 1.049 10 0 ADAERN C[C@@H](Nc1nnco1)[C@H]1CCCO1 306637180 345505655 /nfs/dbraw/zinc/50/56/55/345505655.db2.gz FDNWGBXVPGSFFC-RNFRBKRXSA-N 0 0 183.211 1.049 10 0 ADAERN O=C1CCNC(=S)N1C1CCCC1 306637568 345505658 /nfs/dbraw/zinc/50/56/58/345505658.db2.gz BLVSIQKRMRGWGB-UHFFFAOYSA-N 0 0 198.291 1.036 10 0 ADAERN Oc1ccc(NCc2cn[nH]c2)cc1 306637522 345505664 /nfs/dbraw/zinc/50/56/64/345505664.db2.gz BKZRAYHDCYHNNX-UHFFFAOYSA-N 0 0 189.218 1.727 10 0 ADAERN Cc1nnc(N)nc1C(C)(C)C 306638249 345505830 /nfs/dbraw/zinc/50/58/30/345505830.db2.gz MVWSXUCDWAWJMG-UHFFFAOYSA-N 0 0 166.228 1.060 10 0 ADAERN Clc1cnc(N2CC[C@H]3C[C@H]32)nc1 306637763 345505836 /nfs/dbraw/zinc/50/58/36/345505836.db2.gz BNCYCRRTZWMOIH-POYBYMJQSA-N 0 0 195.653 1.729 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1CSC1(C)C 306637703 345505863 /nfs/dbraw/zinc/50/58/63/345505863.db2.gz BSJSTKSYWLYUDO-FXQIFTODSA-N 0 0 199.319 1.653 10 0 ADAERN Clc1cnc(N2CC[C@@H]3C[C@@H]32)nc1 306637778 345505910 /nfs/dbraw/zinc/50/59/10/345505910.db2.gz BNCYCRRTZWMOIH-SVRRBLITSA-N 0 0 195.653 1.729 10 0 ADAERN CC(C)C1(C(C)C)CNC(=O)CO1 306637880 345505917 /nfs/dbraw/zinc/50/59/17/345505917.db2.gz MPJNNUMXCNGGRV-UHFFFAOYSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@H]1CCN(C(=S)NC)[C@H]1C 306638248 345505941 /nfs/dbraw/zinc/50/59/41/345505941.db2.gz MVTAYTHZCMEQOB-YUMQZZPRSA-N 0 0 186.324 1.611 10 0 ADAERN CC[C@H]1CCN(C(=S)NC)[C@@H]1C 306638247 345505947 /nfs/dbraw/zinc/50/59/47/345505947.db2.gz MVTAYTHZCMEQOB-SFYZADRCSA-N 0 0 186.324 1.611 10 0 ADAERN CC[C@@H]1CCN(C(=S)NC)[C@H]1C 306638245 345506014 /nfs/dbraw/zinc/50/60/14/345506014.db2.gz MVTAYTHZCMEQOB-JGVFFNPUSA-N 0 0 186.324 1.611 10 0 ADAERN FC(F)c1nnc(-c2c[nH]cn2)o1 306638035 345506020 /nfs/dbraw/zinc/50/60/20/345506020.db2.gz BRCYEVIHLGXSEQ-UHFFFAOYSA-N 0 0 186.121 1.397 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CSC1(C)C 306637700 345506038 /nfs/dbraw/zinc/50/60/38/345506038.db2.gz BSJSTKSYWLYUDO-BIIVOSGPSA-N 0 0 199.319 1.653 10 0 ADAERN CC1(C)CC[C@H]1n1cnc(N)n1 306638517 345506343 /nfs/dbraw/zinc/50/63/43/345506343.db2.gz NCWNISXJFLTTEB-ZCFIWIBFSA-N 0 0 166.228 1.221 10 0 ADAERN CCC[C@H]1C[C@@H]1C(=O)NC 306638700 345506413 /nfs/dbraw/zinc/50/64/13/345506413.db2.gz GVVHKCNUOCQQRE-BQBZGAKWSA-N 0 0 141.214 1.169 10 0 ADAERN CCC[C@@H]1C[C@@H]1C(=O)NC 306638707 345506433 /nfs/dbraw/zinc/50/64/33/345506433.db2.gz GVVHKCNUOCQQRE-RQJHMYQMSA-N 0 0 141.214 1.169 10 0 ADAERN Clc1cncnc1Nc1c[nH]cn1 306638439 345506440 /nfs/dbraw/zinc/50/64/40/345506440.db2.gz BXPHEZAJMYJGIT-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN CNC(=O)Nc1cccc(N)c1Cl 306638837 345506515 /nfs/dbraw/zinc/50/65/15/345506515.db2.gz CCSOPBCWJTYTRP-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN CC1(C)CC[C@@H]1n1cnc(N)n1 306638516 345506560 /nfs/dbraw/zinc/50/65/60/345506560.db2.gz NCWNISXJFLTTEB-LURJTMIESA-N 0 0 166.228 1.221 10 0 ADAERN CC(C)CN1CCCc2[nH]nnc21 306638537 345506740 /nfs/dbraw/zinc/50/67/40/345506740.db2.gz NFHCIMTWBRQCEN-UHFFFAOYSA-N 0 0 180.255 1.213 10 0 ADAERN CCC[C@H]1C[C@H]1C(=O)NC 306638703 345506743 /nfs/dbraw/zinc/50/67/43/345506743.db2.gz GVVHKCNUOCQQRE-NKWVEPMBSA-N 0 0 141.214 1.169 10 0 ADAERN CCN1C(=O)N=C(N)[C@]12C[C@H](C)[C@@H]2C 306639290 345507166 /nfs/dbraw/zinc/50/71/66/345507166.db2.gz CNSLMXGTTXERHS-MHYGZLNHSA-N 0 0 195.266 1.214 10 0 ADAERN CC1([C@H]([NH3+])CC(=O)[O-])CCCCC1 306638873 345507230 /nfs/dbraw/zinc/50/72/30/345507230.db2.gz NLPBGUQWFGBSSQ-MRVPVSSYSA-N 0 0 185.267 1.759 10 0 ADAERN CCN1C(=O)N=C(N)[C@]12C[C@H](C)[C@H]2C 306639293 345507244 /nfs/dbraw/zinc/50/72/44/345507244.db2.gz CNSLMXGTTXERHS-NYNCVSEMSA-N 0 0 195.266 1.214 10 0 ADAERN C[C@@]1(CC2CCC2)COCC(=O)N1 306639309 345507300 /nfs/dbraw/zinc/50/73/00/345507300.db2.gz NXSUNYNWYLTRNN-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@]1(CC2CCC2)COCC(=O)N1 306639307 345507340 /nfs/dbraw/zinc/50/73/40/345507340.db2.gz NXSUNYNWYLTRNN-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN CCN1C(=O)N=C(N)[C@]12C[C@@H](C)[C@@H]2C 306639287 345507356 /nfs/dbraw/zinc/50/73/56/345507356.db2.gz CNSLMXGTTXERHS-MATHAZKKSA-N 0 0 195.266 1.214 10 0 ADAERN CCN1C(=O)N=C(N)[C@]12C[C@@H](C)[C@H]2C 306639285 345507360 /nfs/dbraw/zinc/50/73/60/345507360.db2.gz CNSLMXGTTXERHS-BRDIYROLSA-N 0 0 195.266 1.214 10 0 ADAERN CC1([C@@H]([NH3+])CC(=O)[O-])CCCCC1 306638876 345507402 /nfs/dbraw/zinc/50/74/02/345507402.db2.gz NLPBGUQWFGBSSQ-QMMMGPOBSA-N 0 0 185.267 1.759 10 0 ADAERN Cc1cccnc1N1C[C@@H](O)[C@H](C)C1 306639386 345507429 /nfs/dbraw/zinc/50/74/29/345507429.db2.gz OACDJMQCGIKEHO-NXEZZACHSA-N 0 0 192.262 1.207 10 0 ADAERN Cn1ncc2c(NC3CC3)ccnc21 306639334 345507451 /nfs/dbraw/zinc/50/74/51/345507451.db2.gz CQBPQPXODQUWNX-UHFFFAOYSA-N 0 0 188.234 1.543 10 0 ADAERN Cc1cccnc1N1C[C@H](C)[C@@H](O)C1 306639387 345507453 /nfs/dbraw/zinc/50/74/53/345507453.db2.gz OACDJMQCGIKEHO-UWVGGRQHSA-N 0 0 192.262 1.207 10 0 ADAERN C[C@@H]1C[C@H](N2C(=S)N=NC2N)[C@@H]1C 306639775 345507716 /nfs/dbraw/zinc/50/77/16/345507716.db2.gz OIVMGLBZFQOFJB-PBXRRBTRSA-N 0 0 198.295 1.366 10 0 ADAERN C[C@@H]1CSC[C@@]1(O)c1ccc[nH]1 306639447 345507772 /nfs/dbraw/zinc/50/77/72/345507772.db2.gz HPZHCDPGZJCFTJ-APPZFPTMSA-N 0 0 183.276 1.585 10 0 ADAERN C[C@H]1CSC[C@]1(O)c1ccc[nH]1 306639449 345507828 /nfs/dbraw/zinc/50/78/28/345507828.db2.gz HPZHCDPGZJCFTJ-IONNQARKSA-N 0 0 183.276 1.585 10 0 ADAERN Cc1cccnc1N1C[C@@H](C)[C@@H](O)C1 306639389 345507880 /nfs/dbraw/zinc/50/78/80/345507880.db2.gz OACDJMQCGIKEHO-ZJUUUORDSA-N 0 0 192.262 1.207 10 0 ADAERN C[C@@H]1[C@@H](N2C(=S)N=NC2N)C[C@H]1C 306639776 345507889 /nfs/dbraw/zinc/50/78/89/345507889.db2.gz OIVMGLBZFQOFJB-SRQIZXRXSA-N 0 0 198.295 1.366 10 0 ADAERN Nc1cncc(F)c1C(F)(F)F 306639850 345507944 /nfs/dbraw/zinc/50/79/44/345507944.db2.gz IQGBKHKKXFPVTE-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN C[C@H]1CSC[C@@]1(O)c1ccc[nH]1 306639448 345508073 /nfs/dbraw/zinc/50/80/73/345508073.db2.gz HPZHCDPGZJCFTJ-CBAPKCEASA-N 0 0 183.276 1.585 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1N1C(=S)N=NC1N 306639774 345508112 /nfs/dbraw/zinc/50/81/12/345508112.db2.gz OIVMGLBZFQOFJB-NGJCXOISSA-N 0 0 198.295 1.366 10 0 ADAERN CC1(NC(=O)Nc2ncco2)CC1 306639854 345508122 /nfs/dbraw/zinc/50/81/22/345508122.db2.gz IQTMZDZFXUXDIW-UHFFFAOYSA-N 0 0 181.195 1.349 10 0 ADAERN O=C(NC1CC1)N1C[C@H]2CCC[C@H]21 306639841 345508147 /nfs/dbraw/zinc/50/81/47/345508147.db2.gz IOEQBVKGZUPVOG-VXNVDRBHSA-N 0 0 180.251 1.343 10 0 ADAERN O=C(NC1CC1)N1C[C@H]2CCC[C@@H]21 306639838 345508150 /nfs/dbraw/zinc/50/81/50/345508150.db2.gz IOEQBVKGZUPVOG-APPZFPTMSA-N 0 0 180.251 1.343 10 0 ADAERN O=C(NC1CC1)N1C[C@@H]2CCC[C@@H]21 306639839 345508154 /nfs/dbraw/zinc/50/81/54/345508154.db2.gz IOEQBVKGZUPVOG-CBAPKCEASA-N 0 0 180.251 1.343 10 0 ADAERN C[C@@H]1C[C@@H](N2C(=S)N=NC2N)[C@@H]1C 306639773 345508164 /nfs/dbraw/zinc/50/81/64/345508164.db2.gz OIVMGLBZFQOFJB-HSUXUTPPSA-N 0 0 198.295 1.366 10 0 ADAERN C[C@@H]1CSC[C@]1(O)c1ccc[nH]1 306639450 345508186 /nfs/dbraw/zinc/50/81/86/345508186.db2.gz HPZHCDPGZJCFTJ-VXNVDRBHSA-N 0 0 183.276 1.585 10 0 ADAERN O=C(NC1CC1)N1C[C@@H]2CCC[C@H]21 306639840 345508224 /nfs/dbraw/zinc/50/82/24/345508224.db2.gz IOEQBVKGZUPVOG-IONNQARKSA-N 0 0 180.251 1.343 10 0 ADAERN C[C@H]1CCCC[C@@]12CNC(=O)CO2 306640480 345508466 /nfs/dbraw/zinc/50/84/66/345508466.db2.gz PSMWLGPNSQGISF-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H]1C[C@H]1CNc1ncncc1N 306640154 345508462 /nfs/dbraw/zinc/50/84/62/345508462.db2.gz OZMVCNHEWTXAFA-YUMQZZPRSA-N 0 0 192.266 1.517 10 0 ADAERN CNc1nc(-c2nc(C)no2)cs1 306641977 345509582 /nfs/dbraw/zinc/50/95/82/345509582.db2.gz ROYWDFPAIYODJA-UHFFFAOYSA-N 0 0 196.235 1.543 10 0 ADAERN CC[C@@H]1C[C@H]1CNc1ncncc1N 306640153 345508681 /nfs/dbraw/zinc/50/86/81/345508681.db2.gz OZMVCNHEWTXAFA-SFYZADRCSA-N 0 0 192.266 1.517 10 0 ADAERN C[C@H]1CCCC[C@]12CNC(=O)CO2 306640481 345508579 /nfs/dbraw/zinc/50/85/79/345508579.db2.gz PSMWLGPNSQGISF-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN CC(C)C1(C(C)C)CC(=O)N1 306639989 345508620 /nfs/dbraw/zinc/50/86/20/345508620.db2.gz OVNFGYREFJLQDV-UHFFFAOYSA-N 0 0 155.241 1.557 10 0 ADAERN O[C@H](CF)CNOCc1ccccc1 306640206 345508650 /nfs/dbraw/zinc/50/86/50/345508650.db2.gz PDIPFCQUXMVAGT-SNVBAGLBSA-N 0 0 199.225 1.038 10 0 ADAERN C[C@@H]1CCCC[C@]12CNC(=O)CO2 306640479 345508664 /nfs/dbraw/zinc/50/86/64/345508664.db2.gz PSMWLGPNSQGISF-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H]1C[C@@H]1CNc1ncncc1N 306640152 345508675 /nfs/dbraw/zinc/50/86/75/345508675.db2.gz OZMVCNHEWTXAFA-JGVFFNPUSA-N 0 0 192.266 1.517 10 0 ADAERN C[C@@H]1CCCC[C@@]12CNC(=O)CO2 306640478 345508721 /nfs/dbraw/zinc/50/87/21/345508721.db2.gz PSMWLGPNSQGISF-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN O[C@@H](CF)CNOCc1ccccc1 306640204 345508725 /nfs/dbraw/zinc/50/87/25/345508725.db2.gz PDIPFCQUXMVAGT-JTQLQIEISA-N 0 0 199.225 1.038 10 0 ADAERN CC1(C)CC[C@H]1NC#N 306640395 345508772 /nfs/dbraw/zinc/50/87/72/345508772.db2.gz PKTSRUDFCSVRGW-ZCFIWIBFSA-N 0 0 124.187 1.246 10 0 ADAERN CC[C@@H]1C[C@@H]1CNc1ncncc1N 306640151 345508835 /nfs/dbraw/zinc/50/88/35/345508835.db2.gz OZMVCNHEWTXAFA-HTQZYQBOSA-N 0 0 192.266 1.517 10 0 ADAERN CCNC(=O)C1(F)CCC1 306640039 345508846 /nfs/dbraw/zinc/50/88/46/345508846.db2.gz JBSWWVGWFWOYJH-UHFFFAOYSA-N 0 0 145.177 1.015 10 0 ADAERN CC1(C)CC[C@@H]1NC#N 306640394 345508870 /nfs/dbraw/zinc/50/88/70/345508870.db2.gz PKTSRUDFCSVRGW-LURJTMIESA-N 0 0 124.187 1.246 10 0 ADAERN Cc1[nH]c(=O)n(CC2CC2)c1C 306641151 345509196 /nfs/dbraw/zinc/50/91/96/345509196.db2.gz QFBVRTZYCOTXIA-UHFFFAOYSA-N 0 0 166.224 1.203 10 0 ADAERN Cc1cc(N)n(C2CSC2)n1 306640957 345509239 /nfs/dbraw/zinc/50/92/39/345509239.db2.gz LFSSSEBMSFYIAB-UHFFFAOYSA-N 0 0 169.253 1.062 10 0 ADAERN C[C@@H]1CCOCCN1c1ncns1 306640721 345509305 /nfs/dbraw/zinc/50/93/05/345509305.db2.gz PVFBBPYAXIXZFI-SSDOTTSWSA-N 0 0 199.279 1.153 10 0 ADAERN C[C@H]1CCOCCN1c1ncns1 306640728 345509340 /nfs/dbraw/zinc/50/93/40/345509340.db2.gz PVFBBPYAXIXZFI-ZETCQYMHSA-N 0 0 199.279 1.153 10 0 ADAERN CCON[C@H]1CCOC1(C)C 306640761 345509349 /nfs/dbraw/zinc/50/93/49/345509349.db2.gz KSUJFIIYUQIVTI-ZETCQYMHSA-N 0 0 159.229 1.095 10 0 ADAERN C[C@H]1C[C@@H]1CC(=O)N1CC(F)(F)C1 306641739 345509659 /nfs/dbraw/zinc/50/96/59/345509659.db2.gz RGGTYAIPHXBSDK-NKWVEPMBSA-N 0 0 189.205 1.510 10 0 ADAERN COC(=O)Cc1cc(C)cc(O)c1C 306641258 345509413 /nfs/dbraw/zinc/50/94/13/345509413.db2.gz LVHGJXMOPBJNJW-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN Cc1cc(-c2ccccn2)cnn1 306641312 345509419 /nfs/dbraw/zinc/50/94/19/345509419.db2.gz QKSQEYHDBXCQLZ-UHFFFAOYSA-N 0 0 171.203 1.847 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1ccc(F)cc1N 306641527 345509576 /nfs/dbraw/zinc/50/95/76/345509576.db2.gz QTZWZBFULLTONU-RNFRBKRXSA-N 0 0 198.241 1.589 10 0 ADAERN CCC(C)(C)n1cnc(N)n1 306641917 345509584 /nfs/dbraw/zinc/50/95/84/345509584.db2.gz RKFUJSVSDSMQCD-UHFFFAOYSA-N 0 0 154.217 1.005 10 0 ADAERN C[C@H](Nc1ccc(F)cc1N)[C@@H](C)O 306641526 345509588 /nfs/dbraw/zinc/50/95/88/345509588.db2.gz QTZWZBFULLTONU-NKWVEPMBSA-N 0 0 198.241 1.589 10 0 ADAERN C[C@]1(c2ccsn2)CC[C@@H](O)C1 306641659 345509590 /nfs/dbraw/zinc/50/95/90/345509590.db2.gz MWZVYUFBIUOQLR-APPZFPTMSA-N 0 0 183.276 1.946 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ccc(F)cc1N 306641528 345509592 /nfs/dbraw/zinc/50/95/92/345509592.db2.gz QTZWZBFULLTONU-RQJHMYQMSA-N 0 0 198.241 1.589 10 0 ADAERN C[C@H]1C[C@H]1CC(=O)N1CC(F)(F)C1 306641738 345509604 /nfs/dbraw/zinc/50/96/04/345509604.db2.gz RGGTYAIPHXBSDK-BQBZGAKWSA-N 0 0 189.205 1.510 10 0 ADAERN C[C@]1(c2ccsn2)CC[C@H](O)C1 306641660 345509619 /nfs/dbraw/zinc/50/96/19/345509619.db2.gz MWZVYUFBIUOQLR-CBAPKCEASA-N 0 0 183.276 1.946 10 0 ADAERN C[C@@]1(c2ccsn2)CC[C@@H](O)C1 306641662 345509631 /nfs/dbraw/zinc/50/96/31/345509631.db2.gz MWZVYUFBIUOQLR-VXNVDRBHSA-N 0 0 183.276 1.946 10 0 ADAERN S=c1ccnc(Cn2ccnc2)[nH]1 306641502 345509647 /nfs/dbraw/zinc/50/96/47/345509647.db2.gz QRTAAIHAYSBYQI-UHFFFAOYSA-N 0 0 192.247 1.384 10 0 ADAERN Fc1ccc(=S)[nH]c1F 306641545 345509667 /nfs/dbraw/zinc/50/96/67/345509667.db2.gz QVTZRVUYXVARIB-UHFFFAOYSA-N 0 0 147.149 1.649 10 0 ADAERN COc1ccc(-c2cn[nH]c2)cn1 306642110 345509669 /nfs/dbraw/zinc/50/96/69/345509669.db2.gz RSGICBVBTPYTDJ-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN COc1cc(O)c(OC)c(F)c1 306641383 345509687 /nfs/dbraw/zinc/50/96/87/345509687.db2.gz LWHCPMFIOBRQOR-UHFFFAOYSA-N 0 0 172.155 1.549 10 0 ADAERN C[C@H](O)[C@H](C)Nc1ccc(F)cc1N 306641525 345509710 /nfs/dbraw/zinc/50/97/10/345509710.db2.gz QTZWZBFULLTONU-BQBZGAKWSA-N 0 0 198.241 1.589 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)N1CC(F)(F)C1 306641741 345509746 /nfs/dbraw/zinc/50/97/46/345509746.db2.gz RGGTYAIPHXBSDK-RQJHMYQMSA-N 0 0 189.205 1.510 10 0 ADAERN C[C@@]1(c2ccsn2)CC[C@H](O)C1 306641661 345509776 /nfs/dbraw/zinc/50/97/76/345509776.db2.gz MWZVYUFBIUOQLR-IONNQARKSA-N 0 0 183.276 1.946 10 0 ADAERN C[C@@H]1C[C@@H]1CC(=O)N1CC(F)(F)C1 306641740 345509779 /nfs/dbraw/zinc/50/97/79/345509779.db2.gz RGGTYAIPHXBSDK-RNFRBKRXSA-N 0 0 189.205 1.510 10 0 ADAERN Cc1cnc(-c2nc(CO)c[nH]2)s1 306641716 345509790 /nfs/dbraw/zinc/50/97/90/345509790.db2.gz RCKKMZOUHREJGW-UHFFFAOYSA-N 0 0 195.247 1.334 10 0 ADAERN Nc1ncc(CNc2cc[nH]n2)s1 306641805 345509829 /nfs/dbraw/zinc/50/98/29/345509829.db2.gz NBLPCZPBVPLOKS-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN CC[C@@H]1CCCC[C@]12CNC(=O)CO2 306642349 345510003 /nfs/dbraw/zinc/51/00/03/345510003.db2.gz SOOVUURINXZQIZ-KOLCDFICSA-N 0 0 197.278 1.472 10 0 ADAERN CC[C@H]1CCCC[C@@]12CNC(=O)CO2 306642348 345510052 /nfs/dbraw/zinc/51/00/52/345510052.db2.gz SOOVUURINXZQIZ-GXSJLCMTSA-N 0 0 197.278 1.472 10 0 ADAERN COC[C@H](O)[C@H]1CC2CCC1CC2 306642416 345510076 /nfs/dbraw/zinc/51/00/76/345510076.db2.gz SWSDZIROWAVUPC-TVUZUIDESA-N 0 0 184.279 1.820 10 0 ADAERN COC[C@@H](O)[C@H]1CC2CCC1CC2 306642417 345510114 /nfs/dbraw/zinc/51/01/14/345510114.db2.gz SWSDZIROWAVUPC-WFBLGPOFSA-N 0 0 184.279 1.820 10 0 ADAERN CC[C@@H]1CCCC[C@@]12CNC(=O)CO2 306642350 345510153 /nfs/dbraw/zinc/51/01/53/345510153.db2.gz SOOVUURINXZQIZ-MWLCHTKSSA-N 0 0 197.278 1.472 10 0 ADAERN COC[C@@H](O)[C@@H]1CC2CCC1CC2 306642414 345510171 /nfs/dbraw/zinc/51/01/71/345510171.db2.gz SWSDZIROWAVUPC-JPPWEJMLSA-N 0 0 184.279 1.820 10 0 ADAERN COC[C@H](O)[C@@H]1CC2CCC1CC2 306642415 345510216 /nfs/dbraw/zinc/51/02/16/345510216.db2.gz SWSDZIROWAVUPC-LXKPXOPUSA-N 0 0 184.279 1.820 10 0 ADAERN Cc1cnc([C@@H]2CO2)s1 306642184 345510273 /nfs/dbraw/zinc/51/02/73/345510273.db2.gz RYDQAMAHKJVZFW-YFKPBYRVSA-N 0 0 141.195 1.523 10 0 ADAERN CC[C@H]1CCCC[C@]12CNC(=O)CO2 306642351 345510280 /nfs/dbraw/zinc/51/02/80/345510280.db2.gz SOOVUURINXZQIZ-ONGXEEELSA-N 0 0 197.278 1.472 10 0 ADAERN Cc1cnc([C@H]2CO2)s1 306642183 345510295 /nfs/dbraw/zinc/51/02/95/345510295.db2.gz RYDQAMAHKJVZFW-RXMQYKEDSA-N 0 0 141.195 1.523 10 0 ADAERN C[C@@H]1CN(CC(F)F)C[C@@H](C)[NH+]1C 306642760 345510921 /nfs/dbraw/zinc/51/09/21/345510921.db2.gz UQWQCBPVZQELMP-HTQZYQBOSA-N 0 0 192.253 1.276 10 0 ADAERN CC1(C)CC(n2c(=O)[nH][nH]c2=S)C1 306642620 345510982 /nfs/dbraw/zinc/51/09/82/345510982.db2.gz UFMHPRZCMSJQBJ-UHFFFAOYSA-N 0 0 199.279 1.221 10 0 ADAERN C[C@@H]1C[C@@H](n2cncc2C[NH3+])[C@@H]1C 306642688 345511056 /nfs/dbraw/zinc/51/10/56/345511056.db2.gz UKKSRVRQSMMMDY-NQMVMOMDSA-N 0 0 179.267 1.559 10 0 ADAERN C[C@H]1CN(CC(F)F)C[C@H](C)[NH+]1C 306642762 345511179 /nfs/dbraw/zinc/51/11/79/345511179.db2.gz UQWQCBPVZQELMP-YUMQZZPRSA-N 0 0 192.253 1.276 10 0 ADAERN C[C@@H]1C[C@H](n2cncc2C[NH3+])[C@@H]1C 306642687 345511205 /nfs/dbraw/zinc/51/12/05/345511205.db2.gz UKKSRVRQSMMMDY-MRTMQBJTSA-N 0 0 179.267 1.559 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1n1cncc1C[NH3+] 306642686 345511218 /nfs/dbraw/zinc/51/12/18/345511218.db2.gz UKKSRVRQSMMMDY-KHQFGBGNSA-N 0 0 179.267 1.559 10 0 ADAERN CC[C@@H]1CCCN1C(=O)C1COC1 306643337 345511421 /nfs/dbraw/zinc/51/14/21/345511421.db2.gz WIQFLARLUBIWDK-SECBINFHSA-N 0 0 183.251 1.034 10 0 ADAERN COCC(C)(C)C1=NC(=O)CN1C 306642956 345511420 /nfs/dbraw/zinc/51/14/20/345511420.db2.gz VJVUMWKVMMBCNN-UHFFFAOYSA-N 0 0 184.239 1.050 10 0 ADAERN CC[C@H]1CCC[C@]2(CNC(=O)CO2)C1 306643081 345511454 /nfs/dbraw/zinc/51/14/54/345511454.db2.gz VTDBLHXPMSFADK-GXSJLCMTSA-N 0 0 197.278 1.472 10 0 ADAERN CC[C@@H]1CCC[C@@]2(CNC(=O)CO2)C1 306643082 345511494 /nfs/dbraw/zinc/51/14/94/345511494.db2.gz VTDBLHXPMSFADK-KOLCDFICSA-N 0 0 197.278 1.472 10 0 ADAERN CC(=O)CC(=O)NC1CC(C)(C)C1 306643136 345511499 /nfs/dbraw/zinc/51/14/99/345511499.db2.gz VYRGQJGDEWDSAD-UHFFFAOYSA-N 0 0 183.251 1.270 10 0 ADAERN CC(C)(C)CC[C@]1(C)COCC(=O)N1 306642949 345511556 /nfs/dbraw/zinc/51/15/56/345511556.db2.gz VJMMVUBKYQSNGU-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H]1CCC[C@@]2(CNC(=O)CO2)C1 306643084 345511563 /nfs/dbraw/zinc/51/15/63/345511563.db2.gz VTDBLHXPMSFADK-ONGXEEELSA-N 0 0 197.278 1.472 10 0 ADAERN CC(C)(C)CC[C@@]1(C)COCC(=O)N1 306642950 345511599 /nfs/dbraw/zinc/51/15/99/345511599.db2.gz VJMMVUBKYQSNGU-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H]1CCCN1C(=O)C1COC1 306643338 345511635 /nfs/dbraw/zinc/51/16/35/345511635.db2.gz WIQFLARLUBIWDK-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN CC[C@@H]1CCC[C@]2(CNC(=O)CO2)C1 306643083 345511692 /nfs/dbraw/zinc/51/16/92/345511692.db2.gz VTDBLHXPMSFADK-MWLCHTKSSA-N 0 0 197.278 1.472 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1ccncn1 306643466 345512107 /nfs/dbraw/zinc/51/21/07/345512107.db2.gz WSSQHEAJLQIICL-HRDYMLBCSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@@H]1[C@@H](Nc2ccncn2)C[C@H]1C 306643468 345512240 /nfs/dbraw/zinc/51/22/40/345512240.db2.gz WSSQHEAJLQIICL-VGMNWLOBSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@@H]1C[C@H](Nc2ccncn2)[C@@H]1C 306643465 345512244 /nfs/dbraw/zinc/51/22/44/345512244.db2.gz WSSQHEAJLQIICL-HLTSFMKQSA-N 0 0 177.251 1.933 10 0 ADAERN OCc1c(F)cncc1C(F)(F)F 306643631 345512344 /nfs/dbraw/zinc/51/23/44/345512344.db2.gz XGUYSNSSTZYKAR-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ccncn2)[C@@H]1C 306643467 345512366 /nfs/dbraw/zinc/51/23/66/345512366.db2.gz WSSQHEAJLQIICL-IWSPIJDZSA-N 0 0 177.251 1.933 10 0 ADAERN CN(C(N)=S)C1CC(C)(C)C1 306643602 345512435 /nfs/dbraw/zinc/51/24/35/345512435.db2.gz XELAAZACWPFJDF-UHFFFAOYSA-N 0 0 172.297 1.350 10 0 ADAERN CC[C@@H]1C[C@@H]1CNC#N 306643873 345512971 /nfs/dbraw/zinc/51/29/71/345512971.db2.gz XYWIUUPTUHJQBZ-RNFRBKRXSA-N 0 0 124.187 1.103 10 0 ADAERN Cc1cccc(C)c1-n1cnc(N)n1 306643919 345512846 /nfs/dbraw/zinc/51/28/46/345512846.db2.gz YCWVMAABWOLFNV-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC[C@@H]1C[C@H]1CNC#N 306643874 345512882 /nfs/dbraw/zinc/51/28/82/345512882.db2.gz XYWIUUPTUHJQBZ-RQJHMYQMSA-N 0 0 124.187 1.103 10 0 ADAERN CC[C@H]1C[C@H]1CNC#N 306643871 345512892 /nfs/dbraw/zinc/51/28/92/345512892.db2.gz XYWIUUPTUHJQBZ-BQBZGAKWSA-N 0 0 124.187 1.103 10 0 ADAERN O[C@@H](c1cscn1)c1ccc[nH]1 306644244 345512960 /nfs/dbraw/zinc/51/29/60/345512960.db2.gz ZAFXMGBFMGTQJA-MRVPVSSYSA-N 0 0 180.232 1.553 10 0 ADAERN CC[C@H]1C[C@@H]1CNC#N 306643872 345512970 /nfs/dbraw/zinc/51/29/70/345512970.db2.gz XYWIUUPTUHJQBZ-NKWVEPMBSA-N 0 0 124.187 1.103 10 0 ADAERN O[C@H](c1cscn1)c1ccc[nH]1 306644245 345512973 /nfs/dbraw/zinc/51/29/73/345512973.db2.gz ZAFXMGBFMGTQJA-QMMMGPOBSA-N 0 0 180.232 1.553 10 0 ADAERN CNC(=O)CC1(C(F)(F)F)CC1 306644179 345513047 /nfs/dbraw/zinc/51/30/47/345513047.db2.gz YTMRORHGKKRMRT-UHFFFAOYSA-N 0 0 181.157 1.465 10 0 ADAERN Cc1cc(=O)[nH]c(COC(C)C)n1 306643905 345513063 /nfs/dbraw/zinc/51/30/63/345513063.db2.gz YBRSBHKXRIXJDG-UHFFFAOYSA-N 0 0 182.223 1.416 10 0 ADAERN CC[C@H](C)NC(=O)N1CC[C@H](C)C1 306644624 345513385 /nfs/dbraw/zinc/51/33/85/345513385.db2.gz AXCWJHFPDDAPHY-IUCAKERBSA-N 0 0 184.283 1.836 10 0 ADAERN CC[C@H]1C[C@@H]1CNC(C)=O 306644449 345513399 /nfs/dbraw/zinc/51/33/99/345513399.db2.gz ZNMJDFIPRROCRC-JGVFFNPUSA-N 0 0 141.214 1.169 10 0 ADAERN c1c[nH]c(N2CCC3(CC3)C2)n1 306644654 345513452 /nfs/dbraw/zinc/51/34/52/345513452.db2.gz AGBFUBQAKOQZKP-UHFFFAOYSA-N 0 0 163.224 1.400 10 0 ADAERN NC(=O)N1C[C@H]2CCC(F)(F)[C@H]2C1 306644730 345513467 /nfs/dbraw/zinc/51/34/67/345513467.db2.gz AWOSYOPDTKZRRL-RITPCOANSA-N 0 0 190.193 1.042 10 0 ADAERN NC(=O)N1C[C@H]2CCC(F)(F)[C@@H]2C1 306644720 345513474 /nfs/dbraw/zinc/51/34/74/345513474.db2.gz AWOSYOPDTKZRRL-PHDIDXHHSA-N 0 0 190.193 1.042 10 0 ADAERN C[C@@H](N(C)c1n[nH]c(N)n1)C1(C)CC1 306644292 345513517 /nfs/dbraw/zinc/51/35/17/345513517.db2.gz ZCIPBZLGONNKHD-ZCFIWIBFSA-N 0 0 195.270 1.012 10 0 ADAERN NC(=O)N1C[C@@H]2[C@@H](CCC2(F)F)C1 306644709 345513533 /nfs/dbraw/zinc/51/35/33/345513533.db2.gz AWOSYOPDTKZRRL-NTSWFWBYSA-N 0 0 190.193 1.042 10 0 ADAERN OCc1cnc(F)cc1C(F)(F)F 306644315 345513548 /nfs/dbraw/zinc/51/35/48/345513548.db2.gz ZDNLQLHQIBWJHA-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN NC(=O)N1C[C@@H]2CCC(F)(F)[C@H]2C1 306644746 345513558 /nfs/dbraw/zinc/51/35/58/345513558.db2.gz AWOSYOPDTKZRRL-WDSKDSINSA-N 0 0 190.193 1.042 10 0 ADAERN C[C@H](N(C)c1n[nH]c(N)n1)C1(C)CC1 306644291 345513560 /nfs/dbraw/zinc/51/35/60/345513560.db2.gz ZCIPBZLGONNKHD-LURJTMIESA-N 0 0 195.270 1.012 10 0 ADAERN Cc1csc2c1NC(=O)C2 306644273 345513581 /nfs/dbraw/zinc/51/35/81/345513581.db2.gz ZBSYSFUOGOUTIS-UHFFFAOYSA-N 0 0 153.206 1.551 10 0 ADAERN CC[C@H]1C[C@H]1CNC(C)=O 306644451 345513607 /nfs/dbraw/zinc/51/36/07/345513607.db2.gz ZNMJDFIPRROCRC-YUMQZZPRSA-N 0 0 141.214 1.169 10 0 ADAERN C[C@H](C(=O)N1CCCO1)C(F)(F)F 306644507 345513624 /nfs/dbraw/zinc/51/36/24/345513624.db2.gz ZVIMCVXYXOVLPU-RXMQYKEDSA-N 0 0 197.156 1.349 10 0 ADAERN CC[C@@H]1C[C@@H]1CNC(C)=O 306644448 345513637 /nfs/dbraw/zinc/51/36/37/345513637.db2.gz ZNMJDFIPRROCRC-HTQZYQBOSA-N 0 0 141.214 1.169 10 0 ADAERN Cc1nnccc1NC(=O)C1CC1 306644392 345513652 /nfs/dbraw/zinc/51/36/52/345513652.db2.gz ZILOENYKJFFGPG-UHFFFAOYSA-N 0 0 177.207 1.134 10 0 ADAERN CC1(C)CC(N2CCCNC2=O)C1 306644441 345513660 /nfs/dbraw/zinc/51/36/60/345513660.db2.gz ZMXUPJRUPQXNOW-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN CC1CCN(c2nncs2)CC1 306644935 345514011 /nfs/dbraw/zinc/51/40/11/345514011.db2.gz BCOIPBIOYMSINK-UHFFFAOYSA-N 0 0 183.280 1.774 10 0 ADAERN CC1(C)C(C(=O)N2CCCN2)C1(C)C 306644929 345514027 /nfs/dbraw/zinc/51/40/27/345514027.db2.gz FPAHWPJFXOYZBM-UHFFFAOYSA-N 0 0 196.294 1.406 10 0 ADAERN CC[C@H](NC)c1noc(C)n1 306645440 345514117 /nfs/dbraw/zinc/51/41/17/345514117.db2.gz AOAYQXZSRVXURH-LURJTMIESA-N 0 0 155.201 1.049 10 0 ADAERN CC[C@H](NO)c1ccc2c(c1)OCO2 306645520 345514160 /nfs/dbraw/zinc/51/41/60/345514160.db2.gz CUHKBDPQPLCADL-QMMMGPOBSA-N 0 0 195.218 1.845 10 0 ADAERN Nc1ncc(Cc2cnsn2)s1 306645047 345514162 /nfs/dbraw/zinc/51/41/62/345514162.db2.gz AJJPWERHVRGEGB-UHFFFAOYSA-N 0 0 198.276 1.168 10 0 ADAERN CC[C@@H](NO)c1ccc2c(c1)OCO2 306645513 345514178 /nfs/dbraw/zinc/51/41/78/345514178.db2.gz CUHKBDPQPLCADL-MRVPVSSYSA-N 0 0 195.218 1.845 10 0 ADAERN CCO[C@@H](C)C1=NC(=O)CS1 306645201 345514183 /nfs/dbraw/zinc/51/41/83/345514183.db2.gz CJJHPVBSRLXQJN-YFKPBYRVSA-N 0 0 173.237 1.946 10 0 ADAERN CC[C@@H](NC)c1noc(C)n1 306645446 345514201 /nfs/dbraw/zinc/51/42/01/345514201.db2.gz AOAYQXZSRVXURH-ZCFIWIBFSA-N 0 0 155.201 1.049 10 0 ADAERN CN(C)N[C@H]1COc2ccccc2C1 306645321 345514212 /nfs/dbraw/zinc/51/42/12/345514212.db2.gz NZLLMNLXMXRNCX-SNVBAGLBSA-N 0 0 192.262 1.056 10 0 ADAERN O=C1NCCN1CC1=CCCCC1 306645101 345514256 /nfs/dbraw/zinc/51/42/56/345514256.db2.gz CGPKXVCYKCWJKP-UHFFFAOYSA-N 0 0 180.251 1.512 10 0 ADAERN CCO[C@H](C)C1=NC(=O)CS1 306645199 345514317 /nfs/dbraw/zinc/51/43/17/345514317.db2.gz CJJHPVBSRLXQJN-RXMQYKEDSA-N 0 0 173.237 1.946 10 0 ADAERN CN(C)N[C@@H]1COc2ccccc2C1 306645320 345514353 /nfs/dbraw/zinc/51/43/53/345514353.db2.gz NZLLMNLXMXRNCX-JTQLQIEISA-N 0 0 192.262 1.056 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ncccn1 306646465 345514677 /nfs/dbraw/zinc/51/46/77/345514677.db2.gz CSPDNOUYUWETNK-JGVFFNPUSA-N 0 0 163.224 1.687 10 0 ADAERN CN[C@@]1(C(F)F)COC(C)(C)C1 306645819 345514697 /nfs/dbraw/zinc/51/46/97/345514697.db2.gz FXBIZMGPFGFETE-MRVPVSSYSA-N 0 0 179.210 1.409 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ncccn1 306646467 345514709 /nfs/dbraw/zinc/51/47/09/345514709.db2.gz CSPDNOUYUWETNK-YUMQZZPRSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H]1CN(C(N)=S)C(C)(C)C1 306646549 345514723 /nfs/dbraw/zinc/51/47/23/345514723.db2.gz CXRSNXHZXIVITO-LURJTMIESA-N 0 0 172.297 1.350 10 0 ADAERN CC(C)N[C@H](C)c1ncon1 306646015 345514757 /nfs/dbraw/zinc/51/47/57/345514757.db2.gz BMFNUEIAHWWPQU-ZCFIWIBFSA-N 0 0 155.201 1.129 10 0 ADAERN CN[C@]1(C(F)F)COC(C)(C)C1 306645822 345514791 /nfs/dbraw/zinc/51/47/91/345514791.db2.gz FXBIZMGPFGFETE-QMMMGPOBSA-N 0 0 179.210 1.409 10 0 ADAERN CC1(C)C[C@]2(CO1)CC(=O)CCO2 306645842 345514837 /nfs/dbraw/zinc/51/48/37/345514837.db2.gz FXZAPDMBACHISK-JTQLQIEISA-N 0 0 184.235 1.304 10 0 ADAERN Cc1ccc2nc(NCCF)nn2c1 306645944 345514870 /nfs/dbraw/zinc/51/48/70/345514870.db2.gz CXNPBANLEXCFEH-UHFFFAOYSA-N 0 0 194.213 1.419 10 0 ADAERN CC(C)N[C@@H](C)c1ncon1 306646004 345514888 /nfs/dbraw/zinc/51/48/88/345514888.db2.gz BMFNUEIAHWWPQU-LURJTMIESA-N 0 0 155.201 1.129 10 0 ADAERN CC1(C)C[C@@]2(CO1)CC(=O)CCO2 306645845 345514907 /nfs/dbraw/zinc/51/49/07/345514907.db2.gz FXZAPDMBACHISK-SNVBAGLBSA-N 0 0 184.235 1.304 10 0 ADAERN FCCSc1nnc2ccccn12 306645991 345515102 /nfs/dbraw/zinc/51/51/02/345515102.db2.gz AYGNHXDGMUVOMT-UHFFFAOYSA-N 0 0 197.238 1.791 10 0 ADAERN CCNc1nccnc1NCC 306646129 345515117 /nfs/dbraw/zinc/51/51/17/345515117.db2.gz BFWOVLHMXBVORH-UHFFFAOYSA-N 0 0 166.228 1.340 10 0 ADAERN CC(=O)c1nc(CO)sc1C 306647317 345515409 /nfs/dbraw/zinc/51/54/09/345515409.db2.gz DFGDNOSJBYBZGF-UHFFFAOYSA-N 0 0 171.221 1.146 10 0 ADAERN CC1CCC(OC(=O)[C@@H](C)O)CC1 306646884 345515470 /nfs/dbraw/zinc/51/54/70/345515470.db2.gz BDVVLNULZQFJKI-QJAFJHJLSA-N 0 0 186.251 1.489 10 0 ADAERN CNc1nnc(SCCF)s1 306646755 345515476 /nfs/dbraw/zinc/51/54/76/345515476.db2.gz DDZLGFXMTUSQQK-UHFFFAOYSA-N 0 0 193.272 1.641 10 0 ADAERN CCC(=O)[C@H](C)N1CC(C)(C)C1 306646657 345515483 /nfs/dbraw/zinc/51/54/83/345515483.db2.gz CZWREYXEHMBZMA-QMMMGPOBSA-N 0 0 169.268 1.696 10 0 ADAERN CCN(C)C(=O)Nc1c[nH]nc1C 306646974 345515538 /nfs/dbraw/zinc/51/55/38/345515538.db2.gz BXFMKDXOVNPBQX-UHFFFAOYSA-N 0 0 182.227 1.202 10 0 ADAERN COC1CC(O)(c2ccc[nH]2)C1 306647194 345515613 /nfs/dbraw/zinc/51/56/13/345515613.db2.gz PHACVFLYMFWMJC-UHFFFAOYSA-N 0 0 167.208 1.011 10 0 ADAERN CC1(C)CC(C(=O)N2CCSC2)C1 306646812 345515618 /nfs/dbraw/zinc/51/56/18/345515618.db2.gz DGVPSRXROWUSPP-UHFFFAOYSA-N 0 0 199.319 1.956 10 0 ADAERN C[C@H]1CN(C(N)=S)C(C)(C)C1 306646550 345515622 /nfs/dbraw/zinc/51/56/22/345515622.db2.gz CXRSNXHZXIVITO-ZCFIWIBFSA-N 0 0 172.297 1.350 10 0 ADAERN CCC(=O)[C@@H](C)N1CC(C)(C)C1 306646655 345515702 /nfs/dbraw/zinc/51/57/02/345515702.db2.gz CZWREYXEHMBZMA-MRVPVSSYSA-N 0 0 169.268 1.696 10 0 ADAERN O=C1CCc2nc(NC3CC3)ccc21 306646687 345515731 /nfs/dbraw/zinc/51/57/31/345515731.db2.gz DBARXOPGLXMSDS-UHFFFAOYSA-N 0 0 188.230 1.785 10 0 ADAERN CCC1([C@@H](O)C2=COCC2)CC1 306647363 345516070 /nfs/dbraw/zinc/51/60/70/345516070.db2.gz GHBNMTSINUFZIE-VIFPVBQESA-N 0 0 168.236 1.842 10 0 ADAERN Cn1cc(C(=O)c2ccsc2)nn1 306647641 345516162 /nfs/dbraw/zinc/51/61/62/345516162.db2.gz DPUMMQLYURKOQT-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Cc1ccoc1 306647801 345516209 /nfs/dbraw/zinc/51/62/09/345516209.db2.gz PMFZIHNDSMGLJY-CBAPKCEASA-N 0 0 179.219 1.347 10 0 ADAERN CCC1([C@H](O)C2=COCC2)CC1 306647354 345516217 /nfs/dbraw/zinc/51/62/17/345516217.db2.gz GHBNMTSINUFZIE-SECBINFHSA-N 0 0 168.236 1.842 10 0 ADAERN Cn1nccc1-c1cnc(C=O)s1 306647859 345516233 /nfs/dbraw/zinc/51/62/33/345516233.db2.gz POMMLIFYNYUBSW-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1c[nH]c(N2CCC[C@H]2C)n1 306648626 345516358 /nfs/dbraw/zinc/51/63/58/345516358.db2.gz GVXDMLRMMWTIRG-MRVPVSSYSA-N 0 0 165.240 1.707 10 0 ADAERN COc1ncnc2cc(F)ccc12 306648458 345516369 /nfs/dbraw/zinc/51/63/69/345516369.db2.gz DTHMAOSWXKZLAZ-UHFFFAOYSA-N 0 0 178.166 1.778 10 0 ADAERN O=C(NC1CC1)c1cc[nH]c(=S)c1 306648355 345516422 /nfs/dbraw/zinc/51/64/22/345516422.db2.gz CKMLXPPAJNSKQW-UHFFFAOYSA-N 0 0 194.259 1.636 10 0 ADAERN O[C@H]1CCC[C@H](Nc2ncns2)C1 306648482 345516489 /nfs/dbraw/zinc/51/64/89/345516489.db2.gz CNBNUIPIAXXYND-BQBZGAKWSA-N 0 0 199.279 1.254 10 0 ADAERN O[C@@H]1CCC[C@@H](Nc2ncns2)C1 306648485 345516502 /nfs/dbraw/zinc/51/65/02/345516502.db2.gz CNBNUIPIAXXYND-RNFRBKRXSA-N 0 0 199.279 1.254 10 0 ADAERN O[C@H]1CCC[C@@H](Nc2ncns2)C1 306648486 345516560 /nfs/dbraw/zinc/51/65/60/345516560.db2.gz CNBNUIPIAXXYND-RQJHMYQMSA-N 0 0 199.279 1.254 10 0 ADAERN O[C@@H]1CCC[C@H](Nc2ncns2)C1 306648484 345516602 /nfs/dbraw/zinc/51/66/02/345516602.db2.gz CNBNUIPIAXXYND-NKWVEPMBSA-N 0 0 199.279 1.254 10 0 ADAERN Cc1c[nH]c(N2CCC[C@@H]2C)n1 306648628 345516665 /nfs/dbraw/zinc/51/66/65/345516665.db2.gz GVXDMLRMMWTIRG-QMMMGPOBSA-N 0 0 165.240 1.707 10 0 ADAERN Cn1cnc(C(=O)C(F)(F)Cl)c1 306649985 345516975 /nfs/dbraw/zinc/51/69/75/345516975.db2.gz QVDPAKHWOYPVJR-UHFFFAOYSA-N 0 0 194.568 1.434 10 0 ADAERN FCCNc1ccn2nccc2n1 306649505 345517131 /nfs/dbraw/zinc/51/71/31/345517131.db2.gz FAWILGDRGDNIND-UHFFFAOYSA-N 0 0 180.186 1.111 10 0 ADAERN O=C(CC1COC1)Nc1ccsc1 306649167 345517161 /nfs/dbraw/zinc/51/71/61/345517161.db2.gz GDRRVEUDSXDTJC-UHFFFAOYSA-N 0 0 197.259 1.723 10 0 ADAERN CC1(C)OCc2oc(=S)[nH]c21 306650670 345517617 /nfs/dbraw/zinc/51/76/17/345517617.db2.gz FMJFGPJJUJZXRC-UHFFFAOYSA-N 0 0 171.221 1.729 10 0 ADAERN O=C(c1cn[nH]c1)C1CCOCC1 306650483 345517658 /nfs/dbraw/zinc/51/76/58/345517658.db2.gz RDQDTCIRCULSGQ-UHFFFAOYSA-N 0 0 180.207 1.019 10 0 ADAERN CNc1nc(N)n([C@H](C)C(C)C)n1 306650253 345517671 /nfs/dbraw/zinc/51/76/71/345517671.db2.gz HEJHTSDISXDENU-ZCFIWIBFSA-N 0 0 183.259 1.119 10 0 ADAERN Nc1ccnc(C(F)(F)F)c1F 306650248 345517829 /nfs/dbraw/zinc/51/78/29/345517829.db2.gz HEAQBXCQTUHEHW-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN CNc1nc(N)n([C@@H](C)C(C)C)n1 306650251 345517836 /nfs/dbraw/zinc/51/78/36/345517836.db2.gz HEJHTSDISXDENU-LURJTMIESA-N 0 0 183.259 1.119 10 0 ADAERN CC1(NC(=O)N2CCC2)CCCC1 306650541 345517883 /nfs/dbraw/zinc/51/78/83/345517883.db2.gz FPCARZNMZOLALS-UHFFFAOYSA-N 0 0 182.267 1.734 10 0 ADAERN O=C1CSC(CC2CCC2)=N1 306650404 345517897 /nfs/dbraw/zinc/51/78/97/345517897.db2.gz FMMJHXVTCQVGKZ-UHFFFAOYSA-N 0 0 169.249 1.849 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1c(C)cnn1C 306651207 345518317 /nfs/dbraw/zinc/51/83/17/345518317.db2.gz CCRXOALEZBAKNV-DTWKUNHWSA-N 0 0 178.235 1.421 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1c(C)cnn1C 306651190 345518334 /nfs/dbraw/zinc/51/83/34/345518334.db2.gz CCRXOALEZBAKNV-BDAKNGLRSA-N 0 0 178.235 1.421 10 0 ADAERN Cc1cocc1C(=O)C(C)(C)O 306651252 345518361 /nfs/dbraw/zinc/51/83/61/345518361.db2.gz FUVTYXWQGBVXHG-UHFFFAOYSA-N 0 0 168.192 1.542 10 0 ADAERN C[C@H]1CCCN(C(=O)C2=CCC2)C1 306651534 345518391 /nfs/dbraw/zinc/51/83/91/345518391.db2.gz GBPIAZFBWSUYOZ-VIFPVBQESA-N 0 0 179.263 1.965 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1c(C)cnn1C 306651242 345518395 /nfs/dbraw/zinc/51/83/95/345518395.db2.gz CCRXOALEZBAKNV-RKDXNWHRSA-N 0 0 178.235 1.421 10 0 ADAERN C[C@@H]1CCCN(C(=O)C2=CCC2)C1 306651533 345518473 /nfs/dbraw/zinc/51/84/73/345518473.db2.gz GBPIAZFBWSUYOZ-SECBINFHSA-N 0 0 179.263 1.965 10 0 ADAERN COC(=O)/C=C/N1CC(C)(C)C1 306651497 345518496 /nfs/dbraw/zinc/51/84/96/345518496.db2.gz FYIUOVMDBKCZIQ-SNAWJCMRSA-N 0 0 169.224 1.015 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1c(C)cnn1C 306651226 345518517 /nfs/dbraw/zinc/51/85/17/345518517.db2.gz CCRXOALEZBAKNV-IUCAKERBSA-N 0 0 178.235 1.421 10 0 ADAERN C/C=C/CNc1c(N)c(C)nn1C 306651627 345518656 /nfs/dbraw/zinc/51/86/56/345518656.db2.gz FYMLLCRKCBRNHS-SNAWJCMRSA-N 0 0 180.255 1.299 10 0 ADAERN COc1ccc(F)c(OC)c1N 306652811 345518881 /nfs/dbraw/zinc/51/88/81/345518881.db2.gz UOPQUGHEJOBULX-UHFFFAOYSA-N 0 0 171.171 1.425 10 0 ADAERN C/C=C/C(=O)N1CCO[C@H](C)[C@@H]1C 306652210 345518966 /nfs/dbraw/zinc/51/89/66/345518966.db2.gz GGPOBVGZACUPRE-HYNBTVFTSA-N 0 0 183.251 1.198 10 0 ADAERN C[C@@]1(O)CCC[C@H]1NOC1CCCC1 306652968 345519063 /nfs/dbraw/zinc/51/90/63/345519063.db2.gz GQORJIDWPLIEFA-GHMZBOCLSA-N 0 0 199.294 1.754 10 0 ADAERN C[C@]1(O)CCC[C@H]1NOC1CCCC1 306652969 345519115 /nfs/dbraw/zinc/51/91/15/345519115.db2.gz GQORJIDWPLIEFA-MNOVXSKESA-N 0 0 199.294 1.754 10 0 ADAERN c1ncc([C@@H]2[NH2+]CC23CCC3)cn1 306652240 345519132 /nfs/dbraw/zinc/51/91/32/345519132.db2.gz CMGSJVXBOHTWFS-VIFPVBQESA-N 0 0 175.235 1.291 10 0 ADAERN C[C@]1(O)CCC[C@@H]1NOC1CCCC1 306652970 345519151 /nfs/dbraw/zinc/51/91/51/345519151.db2.gz GQORJIDWPLIEFA-QWRGUYRKSA-N 0 0 199.294 1.754 10 0 ADAERN C[C@@]1(O)CCC[C@@H]1NOC1CCCC1 306652971 345519167 /nfs/dbraw/zinc/51/91/67/345519167.db2.gz GQORJIDWPLIEFA-WDEREUQCSA-N 0 0 199.294 1.754 10 0 ADAERN C/C=C/C(=O)N1CCO[C@H](C)[C@H]1C 306652207 345519204 /nfs/dbraw/zinc/51/92/04/345519204.db2.gz GGPOBVGZACUPRE-HOMPQPGZSA-N 0 0 183.251 1.198 10 0 ADAERN CCc1nc(C)cc(NC2CC2)n1 306653467 345519664 /nfs/dbraw/zinc/51/96/64/345519664.db2.gz GVAFILLZXLPAGO-UHFFFAOYSA-N 0 0 177.251 1.922 10 0 ADAERN COC(=O)N[C@H]1CC[C@H](F)C1 306653568 345519687 /nfs/dbraw/zinc/51/96/87/345519687.db2.gz HBINFVKUNWMDIX-WDSKDSINSA-N 0 0 161.176 1.233 10 0 ADAERN Cc1nccn1CO[C@H]1CCCOC1 306653695 345519693 /nfs/dbraw/zinc/51/96/93/345519693.db2.gz VIWIPNWEQHDLSS-JTQLQIEISA-N 0 0 196.250 1.345 10 0 ADAERN c1ncc([C@H]2NCCCS2)cn1 306653108 345519717 /nfs/dbraw/zinc/51/97/17/345519717.db2.gz GTKBSUCITJQWSB-QMMMGPOBSA-N 0 0 181.264 1.202 10 0 ADAERN COC(=O)N[C@@H]1CC[C@@H](F)C1 306653557 345519724 /nfs/dbraw/zinc/51/97/24/345519724.db2.gz HBINFVKUNWMDIX-PHDIDXHHSA-N 0 0 161.176 1.233 10 0 ADAERN CC[S@@](=O)Nc1cccc(O)c1C 306653819 345519742 /nfs/dbraw/zinc/51/97/42/345519742.db2.gz HDULXXBWHYMCGV-CYBMUJFWSA-N 0 0 199.275 1.796 10 0 ADAERN CCC1(CC)CN(S(C)(=O)=O)C1 306653369 345519745 /nfs/dbraw/zinc/51/97/45/345519745.db2.gz GUEYCYHGCGZGBL-UHFFFAOYSA-N 0 0 191.296 1.068 10 0 ADAERN COC(=O)N[C@H]1CC[C@@H](F)C1 306653563 345519801 /nfs/dbraw/zinc/51/98/01/345519801.db2.gz HBINFVKUNWMDIX-RITPCOANSA-N 0 0 161.176 1.233 10 0 ADAERN Cc1cccc(NCCF)c1N 306653482 345519806 /nfs/dbraw/zinc/51/98/06/345519806.db2.gz JEMSEFXYGWPLQD-UHFFFAOYSA-N 0 0 168.215 1.959 10 0 ADAERN CC(C)(C)C(C)(C)n1cnc(N)n1 306653073 345519812 /nfs/dbraw/zinc/51/98/12/345519812.db2.gz GRGRGPOACGOXJD-UHFFFAOYSA-N 0 0 182.271 1.642 10 0 ADAERN c1ncc([C@@H]2NCCCS2)cn1 306653106 345519850 /nfs/dbraw/zinc/51/98/50/345519850.db2.gz GTKBSUCITJQWSB-MRVPVSSYSA-N 0 0 181.264 1.202 10 0 ADAERN CC[S@](=O)Nc1cccc(O)c1C 306653820 345519916 /nfs/dbraw/zinc/51/99/16/345519916.db2.gz HDULXXBWHYMCGV-ZDUSSCGKSA-N 0 0 199.275 1.796 10 0 ADAERN Cc1nccn1CO[C@@H]1CCCOC1 306653696 345519932 /nfs/dbraw/zinc/51/99/32/345519932.db2.gz VIWIPNWEQHDLSS-SNVBAGLBSA-N 0 0 196.250 1.345 10 0 ADAERN c1nnc(NCc2cnns2)s1 306653861 345520179 /nfs/dbraw/zinc/52/01/79/345520179.db2.gz JHFSNNWAWMEFQQ-UHFFFAOYSA-N 0 0 199.264 1.002 10 0 ADAERN O=C(c1cscn1)[C@@H]1[C@H]2COC[C@H]21 306654160 345520328 /nfs/dbraw/zinc/52/03/28/345520328.db2.gz HFZGTYDJPAVARN-BDINMYNLSA-N 0 0 195.243 1.218 10 0 ADAERN CCCn1cc(C)nc1C=O 306653897 345520441 /nfs/dbraw/zinc/52/04/41/345520441.db2.gz JJVUPKGFTRPAIF-UHFFFAOYSA-N 0 0 152.197 1.414 10 0 ADAERN OC1CC(CCNc2ncns2)C1 306654735 345520521 /nfs/dbraw/zinc/52/05/21/345520521.db2.gz WRVSMYCGLUTKAJ-UHFFFAOYSA-N 0 0 199.279 1.111 10 0 ADAERN CN(C)c1nccnc1NC1CC1 306654497 345520523 /nfs/dbraw/zinc/52/05/23/345520523.db2.gz HKXLQSJUQCIKDT-UHFFFAOYSA-N 0 0 178.239 1.117 10 0 ADAERN Cc1ccc(N)c(N[S@](C)=O)c1 306655207 345521059 /nfs/dbraw/zinc/52/10/59/345521059.db2.gz IFULMXRWZZMCEA-LBPRGKRZSA-N 0 0 184.264 1.283 10 0 ADAERN Cc1ccc(N)c(N[S@@](C)=O)c1 306655205 345521074 /nfs/dbraw/zinc/52/10/74/345521074.db2.gz IFULMXRWZZMCEA-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN C/C=C/CNC(=O)C=C(C)C 306655875 345521145 /nfs/dbraw/zinc/52/11/45/345521145.db2.gz ITSBFRCRARKEAY-SNAWJCMRSA-N 0 0 153.225 1.645 10 0 ADAERN Cc1ncc(CNc2c[nH]cn2)s1 306654821 345521159 /nfs/dbraw/zinc/52/11/59/345521159.db2.gz HUZVPZIQJGXQBN-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CC(=O)C[N@@H+]1CCC2(CC2)C1 306654959 345521219 /nfs/dbraw/zinc/52/12/19/345521219.db2.gz KGJDQXKREGBTAQ-UHFFFAOYSA-N 0 0 153.225 1.061 10 0 ADAERN COc1c(F)cc(F)c(CO)c1F 306655302 345521242 /nfs/dbraw/zinc/52/12/42/345521242.db2.gz XOIROXOHVNXIDW-UHFFFAOYSA-N 0 0 192.136 1.605 10 0 ADAERN Cc1nccn1-c1cnc(Cl)cn1 306654968 345521246 /nfs/dbraw/zinc/52/12/46/345521246.db2.gz KGYCGZNXBGIADA-UHFFFAOYSA-N 0 0 194.625 1.624 10 0 ADAERN CNc1nc(N)nc2ccsc12 306655253 345521304 /nfs/dbraw/zinc/52/13/04/345521304.db2.gz IJBPGACTUOYREK-UHFFFAOYSA-N 0 0 180.236 1.315 10 0 ADAERN Clc1noc([C@@H]2[C@H]3COC[C@H]32)n1 306655225 345521383 /nfs/dbraw/zinc/52/13/83/345521383.db2.gz IHBYDMPGMPGRQK-SCDXWVJYSA-N 0 0 186.598 1.083 10 0 ADAERN COc1cnn([C@H]2CCC(=O)C2)c1 306657340 345523070 /nfs/dbraw/zinc/52/30/70/345523070.db2.gz HVIFHNYLJQQMJD-ZETCQYMHSA-N 0 0 180.207 1.186 10 0 ADAERN Fc1cc(C(F)(F)F)ncn1 306656510 345521742 /nfs/dbraw/zinc/52/17/42/345521742.db2.gz CHKBEGRFHZRYFE-UHFFFAOYSA-N 0 0 166.077 1.635 10 0 ADAERN CC(C)C(C)(C)[S@](C)=O 306656461 345521805 /nfs/dbraw/zinc/52/18/05/345521805.db2.gz HDGMPCVHDTXCMK-VIFPVBQESA-N 0 0 148.271 1.800 10 0 ADAERN Cc1cc(CO)c(Cl)cn1 306656512 345521808 /nfs/dbraw/zinc/52/18/08/345521808.db2.gz LTORWCSWZQVHDZ-UHFFFAOYSA-N 0 0 157.600 1.536 10 0 ADAERN CC(C)C(C)(C)[S@@](C)=O 306656454 345521867 /nfs/dbraw/zinc/52/18/67/345521867.db2.gz HDGMPCVHDTXCMK-SECBINFHSA-N 0 0 148.271 1.800 10 0 ADAERN COc1cnn([C@@H]2CCC(=O)C2)c1 306657338 345522577 /nfs/dbraw/zinc/52/25/77/345522577.db2.gz HVIFHNYLJQQMJD-SSDOTTSWSA-N 0 0 180.207 1.186 10 0 ADAERN CCc1cc(N)nnc1C(C)(C)C 306656743 345522851 /nfs/dbraw/zinc/52/28/51/345522851.db2.gz CNFCRSCVXSBEFO-UHFFFAOYSA-N 0 0 179.267 1.919 10 0 ADAERN CC1(C)CN(C(=O)NC2CCC2)C1 306657017 345522913 /nfs/dbraw/zinc/52/29/13/345522913.db2.gz HNKAHGNPXPXRDF-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1ccc(-c2nc(Cl)no2)nn1 306656977 345522915 /nfs/dbraw/zinc/52/29/15/345522915.db2.gz MGHSZYYGVXDWKU-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN CN(C)C(=O)[C@@H]1C[C@H]1c1ccco1 306657738 345522960 /nfs/dbraw/zinc/52/29/60/345522960.db2.gz IDGQEUAZQMWGNG-HTQZYQBOSA-N 0 0 179.219 1.471 10 0 ADAERN CN(C)C(=O)[C@H]1C[C@H]1c1ccco1 306657751 345523079 /nfs/dbraw/zinc/52/30/79/345523079.db2.gz IDGQEUAZQMWGNG-SFYZADRCSA-N 0 0 179.219 1.471 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)C1CC=CC1 306657798 345523096 /nfs/dbraw/zinc/52/30/96/345523096.db2.gz IEJJPSPLYHFMSP-DTORHVGOSA-N 0 0 179.263 1.962 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)C1CC=CC1 306657800 345523142 /nfs/dbraw/zinc/52/31/42/345523142.db2.gz IEJJPSPLYHFMSP-IUCAKERBSA-N 0 0 179.263 1.962 10 0 ADAERN CN(C)C(=O)[C@H]1C[C@@H]1c1ccco1 306657756 345523166 /nfs/dbraw/zinc/52/31/66/345523166.db2.gz IDGQEUAZQMWGNG-YUMQZZPRSA-N 0 0 179.219 1.471 10 0 ADAERN CN(C)C(=O)[C@@H]1C[C@@H]1c1ccco1 306657745 345523238 /nfs/dbraw/zinc/52/32/38/345523238.db2.gz IDGQEUAZQMWGNG-JGVFFNPUSA-N 0 0 179.219 1.471 10 0 ADAERN CC=CCNc1ncc[nH]c1=O 306657397 345523290 /nfs/dbraw/zinc/52/32/90/345523290.db2.gz JTSQQHGEEKZULG-NSCUHMNNSA-N 0 0 165.196 1.170 10 0 ADAERN CCCc1c[nH]c(=O)n1CC 306657388 345523381 /nfs/dbraw/zinc/52/33/81/345523381.db2.gz MUFJWNSNJBHWKY-UHFFFAOYSA-N 0 0 154.213 1.149 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1[C@H]2CCC[C@H]21 306657980 345523403 /nfs/dbraw/zinc/52/34/03/345523403.db2.gz KLBKHOBIWDVZQJ-CIQUZCHMSA-N 0 0 179.263 1.557 10 0 ADAERN Oc1cccc(NCc2cocn2)c1 306657464 345523428 /nfs/dbraw/zinc/52/34/28/345523428.db2.gz IAOSWHWOSJVURC-UHFFFAOYSA-N 0 0 190.202 1.992 10 0 ADAERN CCO[C@H](C)c1noc(C)n1 306658632 345523926 /nfs/dbraw/zinc/52/39/26/345523926.db2.gz IZHRHALSZLDUNI-RXMQYKEDSA-N 0 0 156.185 1.476 10 0 ADAERN CS(=O)(=O)[C@H]1CCc2ccccc21 306658230 345523931 /nfs/dbraw/zinc/52/39/31/345523931.db2.gz IPHLKNASBKBUSH-JTQLQIEISA-N 0 0 196.271 1.719 10 0 ADAERN Cc1coc(NCc2cocn2)n1 306658372 345524076 /nfs/dbraw/zinc/52/40/76/345524076.db2.gz KTRHAIOICBNRQN-UHFFFAOYSA-N 0 0 179.179 1.583 10 0 ADAERN CNc1ncc2c(n1)[C@@H]1C[C@@H]1CC2 306659516 345524562 /nfs/dbraw/zinc/52/45/62/345524562.db2.gz LPMMTHXIBMDQFL-POYBYMJQSA-N 0 0 175.235 1.568 10 0 ADAERN Cc1cc(F)cc(CO)c1C 306659623 345524582 /nfs/dbraw/zinc/52/45/82/345524582.db2.gz PGTREJOYNRPDKI-UHFFFAOYSA-N 0 0 154.184 1.935 10 0 ADAERN CNc1ncc2c(n1)[C@H]1C[C@H]1CC2 306659517 345524687 /nfs/dbraw/zinc/52/46/87/345524687.db2.gz LPMMTHXIBMDQFL-SVRRBLITSA-N 0 0 175.235 1.568 10 0 ADAERN CC(C)NC(=S)N1CCC2(CC2)C1 306659098 345524821 /nfs/dbraw/zinc/52/48/21/345524821.db2.gz OLNCHGFDLJSISL-UHFFFAOYSA-N 0 0 198.335 1.755 10 0 ADAERN CC(C)([NH3+])C/C=C(/F)C(=O)[O-] 306660300 345525288 /nfs/dbraw/zinc/52/52/88/345525288.db2.gz QEDNFPZBEMGEQW-HWKANZROSA-N 0 0 161.176 1.052 10 0 ADAERN Cc1cccc([C@H]2CC(=O)N2)c1F 306660589 345525388 /nfs/dbraw/zinc/52/53/88/345525388.db2.gz NBPYXXHBDQTIBT-MRVPVSSYSA-N 0 0 179.194 1.695 10 0 ADAERN Cc1cccc([C@@H]2CC(=O)N2)c1F 306660590 345525470 /nfs/dbraw/zinc/52/54/70/345525470.db2.gz NBPYXXHBDQTIBT-QMMMGPOBSA-N 0 0 179.194 1.695 10 0 ADAERN CC(=O)[C@@H]1CCOC1(C)C 306661033 345525820 /nfs/dbraw/zinc/52/58/20/345525820.db2.gz NPTWQIRRXQKAOS-ZETCQYMHSA-N 0 0 142.198 1.391 10 0 ADAERN C[C@H]1[C@@H](C)SCCN1c1ncc[nH]1 306661158 345525899 /nfs/dbraw/zinc/52/58/99/345525899.db2.gz NRDRQQKLPFNJNE-JGVFFNPUSA-N 0 0 197.307 1.740 10 0 ADAERN NC(=O)CNc1ccsc1Cl 306661583 345525905 /nfs/dbraw/zinc/52/59/05/345525905.db2.gz OJQCTAYKZPXSHI-UHFFFAOYSA-N 0 0 190.655 1.299 10 0 ADAERN C[S@@](=O)Nc1ccc(O)c(F)c1 306661039 345525923 /nfs/dbraw/zinc/52/59/23/345525923.db2.gz NQLRHARKJVTVNQ-GFCCVEGCSA-N 0 0 189.211 1.237 10 0 ADAERN Cc1noc(-c2ccnc(F)c2)n1 306661228 345525941 /nfs/dbraw/zinc/52/59/41/345525941.db2.gz NWHVPXZAOYXNCL-UHFFFAOYSA-N 0 0 179.154 1.579 10 0 ADAERN C[S@](=O)Nc1ccc(O)c(F)c1 306661040 345525951 /nfs/dbraw/zinc/52/59/51/345525951.db2.gz NQLRHARKJVTVNQ-LBPRGKRZSA-N 0 0 189.211 1.237 10 0 ADAERN C[C@@H]1SCCN(c2ncc[nH]2)[C@@H]1C 306661159 345525967 /nfs/dbraw/zinc/52/59/67/345525967.db2.gz NRDRQQKLPFNJNE-SFYZADRCSA-N 0 0 197.307 1.740 10 0 ADAERN C[C@@H]1SCCN(c2ncc[nH]2)[C@H]1C 306661160 345526070 /nfs/dbraw/zinc/52/60/70/345526070.db2.gz NRDRQQKLPFNJNE-YUMQZZPRSA-N 0 0 197.307 1.740 10 0 ADAERN CCc1nc([C@H]2CC(=O)N2)cs1 306661010 345526125 /nfs/dbraw/zinc/52/61/25/345526125.db2.gz NNTZEEBDIBIXEV-RXMQYKEDSA-N 0 0 182.248 1.267 10 0 ADAERN C[C@H]1SCCN(c2ncc[nH]2)[C@@H]1C 306661157 345526129 /nfs/dbraw/zinc/52/61/29/345526129.db2.gz NRDRQQKLPFNJNE-HTQZYQBOSA-N 0 0 197.307 1.740 10 0 ADAERN CCc1nc([C@@H]2CC(=O)N2)cs1 306661011 345526155 /nfs/dbraw/zinc/52/61/55/345526155.db2.gz NNTZEEBDIBIXEV-YFKPBYRVSA-N 0 0 182.248 1.267 10 0 ADAERN CC(C)NC(=O)[C@H]1C[C@@H]1C(F)F 306661286 345526158 /nfs/dbraw/zinc/52/61/58/345526158.db2.gz RONVVHHCNBLQSR-WDSKDSINSA-N 0 0 177.194 1.412 10 0 ADAERN CC(=O)[C@H]1CCOC1(C)C 306661032 345526178 /nfs/dbraw/zinc/52/61/78/345526178.db2.gz NPTWQIRRXQKAOS-SSDOTTSWSA-N 0 0 142.198 1.391 10 0 ADAERN Cc1cnn(C)c1[C@H](N)C(F)(F)F 306662255 345526287 /nfs/dbraw/zinc/52/62/87/345526287.db2.gz TWKMSBYQMXSTKT-LURJTMIESA-N 0 0 193.172 1.291 10 0 ADAERN O=C1N[C@H](CCC2CC2)CO1 306661860 345526269 /nfs/dbraw/zinc/52/62/69/345526269.db2.gz SMDALHLGUIESTE-SSDOTTSWSA-N 0 0 155.197 1.285 10 0 ADAERN O=C1N[C@@H](C2CCC2)[C@@H]1C1CC1 306661901 345526291 /nfs/dbraw/zinc/52/62/91/345526291.db2.gz OWOXTQLGZHLJRV-IUCAKERBSA-N 0 0 165.236 1.311 10 0 ADAERN O=C1N[C@@H](C2CCC2)[C@H]1C1CC1 306661899 345526409 /nfs/dbraw/zinc/52/64/09/345526409.db2.gz OWOXTQLGZHLJRV-BDAKNGLRSA-N 0 0 165.236 1.311 10 0 ADAERN Cc1cnn(C)c1[C@@H](N)C(F)(F)F 306662256 345526444 /nfs/dbraw/zinc/52/64/44/345526444.db2.gz TWKMSBYQMXSTKT-ZCFIWIBFSA-N 0 0 193.172 1.291 10 0 ADAERN O=C1N[C@H](C2CCC2)[C@H]1C1CC1 306661902 345526446 /nfs/dbraw/zinc/52/64/46/345526446.db2.gz OWOXTQLGZHLJRV-RKDXNWHRSA-N 0 0 165.236 1.311 10 0 ADAERN CC(C)NC(=O)[C@@H]1CCCO[C@@H]1C 306661953 345526516 /nfs/dbraw/zinc/52/65/16/345526516.db2.gz PAHQHCDVSKCPJG-RKDXNWHRSA-N 0 0 185.267 1.326 10 0 ADAERN O=C1N[C@H](C2CCC2)[C@@H]1C1CC1 306661900 345526545 /nfs/dbraw/zinc/52/65/45/345526545.db2.gz OWOXTQLGZHLJRV-DTWKUNHWSA-N 0 0 165.236 1.311 10 0 ADAERN CC1(C)C[C@]2(CCC(=O)NC2)CO1 306661847 345526578 /nfs/dbraw/zinc/52/65/78/345526578.db2.gz SLMAWQZEKTYOLA-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN CC1(C)C[C@@]2(CCC(=O)NC2)CO1 306661848 345526639 /nfs/dbraw/zinc/52/66/39/345526639.db2.gz SLMAWQZEKTYOLA-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12COC(C)(C)C2 306662994 345527198 /nfs/dbraw/zinc/52/71/98/345527198.db2.gz UZFYCVXBALCMTB-OIBJUYFYSA-N 0 0 183.251 1.080 10 0 ADAERN OC[C@@H]1C[C@H]1Nc1cccc(F)n1 306662674 345526942 /nfs/dbraw/zinc/52/69/42/345526942.db2.gz ULIRXJGLSWSPGV-NKWVEPMBSA-N 0 0 182.198 1.013 10 0 ADAERN CN[C@H](C)c1nnc(C(C)(C)F)o1 306663442 345526963 /nfs/dbraw/zinc/52/69/63/345526963.db2.gz VOJHYVTYNYDHSR-RXMQYKEDSA-N 0 0 187.218 1.555 10 0 ADAERN C[N@H+](/C=C/C(=O)[O-])C(C)(C)C 306663314 345526976 /nfs/dbraw/zinc/52/69/76/345526976.db2.gz QPXHLTRNZAYDGO-AATRIKPKSA-N 0 0 157.213 1.315 10 0 ADAERN C[C@H]1NC(=O)C[C@]12COC(C)(C)C2 306662995 345527110 /nfs/dbraw/zinc/52/71/10/345527110.db2.gz UZFYCVXBALCMTB-XCBNKYQSSA-N 0 0 183.251 1.080 10 0 ADAERN CN(C(=O)c1cc(F)c[nH]1)C1CC1 306662766 345527156 /nfs/dbraw/zinc/52/71/56/345527156.db2.gz PZNQWYHDZUETAF-UHFFFAOYSA-N 0 0 182.198 1.388 10 0 ADAERN C[C@H]1NC(=O)C[C@@]12COC(C)(C)C2 306662993 345527180 /nfs/dbraw/zinc/52/71/80/345527180.db2.gz UZFYCVXBALCMTB-GMSGAONNSA-N 0 0 183.251 1.080 10 0 ADAERN CNc1cnc(-c2ccsn2)cn1 306663393 345527182 /nfs/dbraw/zinc/52/71/82/345527182.db2.gz VKRQYFVNIIEBMG-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN C[C@@H]1NC(=O)C[C@]12COC(C)(C)C2 306662996 345527238 /nfs/dbraw/zinc/52/72/38/345527238.db2.gz UZFYCVXBALCMTB-XVKPBYJWSA-N 0 0 183.251 1.080 10 0 ADAERN Fc1cc(OC(F)F)cc(F)n1 306663210 345527299 /nfs/dbraw/zinc/52/72/99/345527299.db2.gz VGOHUPJJZXNILQ-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN Cc1cocc1[C@@H](NN)C1CC1 306663735 345527672 /nfs/dbraw/zinc/52/76/72/345527672.db2.gz WEOSVBUKGRWQCT-VIFPVBQESA-N 0 0 166.224 1.502 10 0 ADAERN CN[C@@H](C)c1nnc(C(C)(C)F)o1 306663443 345527740 /nfs/dbraw/zinc/52/77/40/345527740.db2.gz VOJHYVTYNYDHSR-YFKPBYRVSA-N 0 0 187.218 1.555 10 0 ADAERN Cc1cocc1[C@H](NN)C1CC1 306663734 345528023 /nfs/dbraw/zinc/52/80/23/345528023.db2.gz WEOSVBUKGRWQCT-SECBINFHSA-N 0 0 166.224 1.502 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1[C@@H]1CC[C@@H]1C 306664403 345528435 /nfs/dbraw/zinc/52/84/35/345528435.db2.gz RYEYEAWSSJJLMV-IQJOONFLSA-N 0 0 196.294 1.199 10 0 ADAERN Cc1ccc(F)c(C)c1C(N)=O 306664750 345528218 /nfs/dbraw/zinc/52/82/18/345528218.db2.gz XHXWIEODTNXDEU-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1[C@@H]1CC[C@H]1C 306664402 345528337 /nfs/dbraw/zinc/52/83/37/345528337.db2.gz RYEYEAWSSJJLMV-FXPVBKGRSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1[C@H]1CC[C@H]1C 306664404 345528342 /nfs/dbraw/zinc/52/83/42/345528342.db2.gz RYEYEAWSSJJLMV-WCABBAIRSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@@H]1NCC(=O)N1[C@H]1CC[C@@H]1C 306664401 345528415 /nfs/dbraw/zinc/52/84/15/345528415.db2.gz RYEYEAWSSJJLMV-ATZCPNFKSA-N 0 0 196.294 1.199 10 0 ADAERN Cc1ccc(C(=O)C(C)C)nn1 306665253 345528787 /nfs/dbraw/zinc/52/87/87/345528787.db2.gz XYFMKNXAHJNPNH-UHFFFAOYSA-N 0 0 164.208 1.624 10 0 ADAERN C[C@@H](Nc1nnc(N)o1)C(C)(F)F 306665614 345528939 /nfs/dbraw/zinc/52/89/39/345528939.db2.gz UHBVZJYWRXXLFZ-GSVOUGTGSA-N 0 0 192.169 1.107 10 0 ADAERN Cc1c[nH]c(N2C[C@H]3C[C@H]3C2)n1 306665151 345528941 /nfs/dbraw/zinc/52/89/41/345528941.db2.gz SUGLCUIEMABBHG-OCAPTIKFSA-N 0 0 163.224 1.174 10 0 ADAERN C[C@H](Nc1nnc(N)o1)C(C)(F)F 306665615 345528982 /nfs/dbraw/zinc/52/89/82/345528982.db2.gz UHBVZJYWRXXLFZ-VKHMYHEASA-N 0 0 192.169 1.107 10 0 ADAERN Cc1ccc(N[C@H](C)C(F)F)nn1 306666067 345529337 /nfs/dbraw/zinc/52/93/37/345529337.db2.gz UUOBIPZIBQFIHT-ZCFIWIBFSA-N 0 0 187.193 1.851 10 0 ADAERN N#CNCC1(C2CC2)CCC1 306666059 345529378 /nfs/dbraw/zinc/52/93/78/345529378.db2.gz UUJCDLUCBNLMEA-UHFFFAOYSA-N 0 0 150.225 1.637 10 0 ADAERN Clc1cnc(N2CCC2)cn1 306666407 345529406 /nfs/dbraw/zinc/52/94/06/345529406.db2.gz ZPVZVCPLTNMCMK-UHFFFAOYSA-N 0 0 169.615 1.340 10 0 ADAERN Cc1ccc(N[C@@H](C)C(F)F)nn1 306666066 345529565 /nfs/dbraw/zinc/52/95/65/345529565.db2.gz UUOBIPZIBQFIHT-LURJTMIESA-N 0 0 187.193 1.851 10 0 ADAERN Cc1c[nH]c(N2CC(C)(C)C2)n1 306666329 345529651 /nfs/dbraw/zinc/52/96/51/345529651.db2.gz ZHEMFSRKWIMFQM-UHFFFAOYSA-N 0 0 165.240 1.564 10 0 ADAERN CC(C)[C@@H]1C[C@H]1C(=O)N1CC(F)C1 306667404 345530313 /nfs/dbraw/zinc/53/03/13/345530313.db2.gz VKRQFIPUVMLAOC-DTWKUNHWSA-N 0 0 185.242 1.459 10 0 ADAERN C/C=C(/C)C(=O)O[C@]1(C)CCOC1 306667685 345530117 /nfs/dbraw/zinc/53/01/17/345530117.db2.gz JRBBPCQWFYPACX-NAXAJZLFSA-N 0 0 184.235 1.675 10 0 ADAERN CC[C@@H]1CN(c2ncc[nH]2)CCO1 306667821 345530145 /nfs/dbraw/zinc/53/01/45/345530145.db2.gz VWGFTBUCTAPGCS-MRVPVSSYSA-N 0 0 181.239 1.025 10 0 ADAERN O=c1[nH]ccn1C[C@H]1CCCSC1 306667495 345530185 /nfs/dbraw/zinc/53/01/85/345530185.db2.gz DMUWDZYSDDAOHI-MRVPVSSYSA-N 0 0 198.291 1.320 10 0 ADAERN CC1(C)CN(Cc2csc(N)n2)C1 306667693 345530207 /nfs/dbraw/zinc/53/02/07/345530207.db2.gz JRVFMBHEWRECFE-UHFFFAOYSA-N 0 0 197.307 1.567 10 0 ADAERN O=c1[nH]ccn1C[C@@H]1CCCSC1 306667496 345530220 /nfs/dbraw/zinc/53/02/20/345530220.db2.gz DMUWDZYSDDAOHI-QMMMGPOBSA-N 0 0 198.291 1.320 10 0 ADAERN CC(C)[C@H]1C[C@@H]1C(=O)N1CC(F)C1 306667402 345530301 /nfs/dbraw/zinc/53/03/01/345530301.db2.gz VKRQFIPUVMLAOC-BDAKNGLRSA-N 0 0 185.242 1.459 10 0 ADAERN CC(C)[C@H]1C[C@H]1C(=O)N1CC(F)C1 306667408 345530305 /nfs/dbraw/zinc/53/03/05/345530305.db2.gz VKRQFIPUVMLAOC-RKDXNWHRSA-N 0 0 185.242 1.459 10 0 ADAERN C/C=C(/C)C(=O)O[C@@]1(C)CCOC1 306667686 345530341 /nfs/dbraw/zinc/53/03/41/345530341.db2.gz JRBBPCQWFYPACX-PENHIPQLSA-N 0 0 184.235 1.675 10 0 ADAERN CC1(C(=O)[O-])C[NH+](C2CCCC2)C1 306667014 345530359 /nfs/dbraw/zinc/53/03/59/345530359.db2.gz ACWABSLEKOEAGL-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN COc1nnc(NC2CCCC2)s1 306667710 345530370 /nfs/dbraw/zinc/53/03/70/345530370.db2.gz JTCGCWDEDSVFQK-UHFFFAOYSA-N 0 0 199.279 1.901 10 0 ADAERN CC(C)OC(=O)N1CC(C)(C)C1 306668503 345530638 /nfs/dbraw/zinc/53/06/38/345530638.db2.gz KGYVJCSMEUUBHG-UHFFFAOYSA-N 0 0 171.240 1.873 10 0 ADAERN O=C(c1ccccc1F)N1CC=CC1 306668200 345530647 /nfs/dbraw/zinc/53/06/47/345530647.db2.gz KCZOMXHEXICSJC-UHFFFAOYSA-N 0 0 191.205 1.838 10 0 ADAERN Cc1ncc(-n2cnnc2Cl)cn1 306667955 345530649 /nfs/dbraw/zinc/53/06/49/345530649.db2.gz FDFLCYNSLQMSEI-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN CC[C@@](C)(O)CN1CC(C)(F)C1 306668008 345530651 /nfs/dbraw/zinc/53/06/51/345530651.db2.gz FKZCUXOSHVEVJX-SECBINFHSA-N 0 0 175.247 1.191 10 0 ADAERN CC[C@@H](N)c1nnc(C(C)(F)F)o1 306667975 345530658 /nfs/dbraw/zinc/53/06/58/345530658.db2.gz FGQMCPWVGPPHMU-SCSAIBSYSA-N 0 0 191.181 1.591 10 0 ADAERN CC1(O)CN(c2ccnc(Cl)c2)C1 306668322 345530685 /nfs/dbraw/zinc/53/06/85/345530685.db2.gz FPQDEUVUJBWAOC-UHFFFAOYSA-N 0 0 198.653 1.306 10 0 ADAERN CC(C)[C@H](C)[C@](C)(O)c1ccncn1 306668183 345530689 /nfs/dbraw/zinc/53/06/89/345530689.db2.gz KALBFKHTXWXDEM-ONGXEEELSA-N 0 0 194.278 1.976 10 0 ADAERN C[S@@](=O)Nc1nc2ccccc2[nH]1 306667836 345530706 /nfs/dbraw/zinc/53/07/06/345530706.db2.gz VXQXETYEIANEJS-CYBMUJFWSA-N 0 0 195.247 1.268 10 0 ADAERN CC[C@H]1CN(c2ncc[nH]2)CCO1 306667822 345530742 /nfs/dbraw/zinc/53/07/42/345530742.db2.gz VWGFTBUCTAPGCS-QMMMGPOBSA-N 0 0 181.239 1.025 10 0 ADAERN C[S@](=O)Nc1nc2ccccc2[nH]1 306667837 345530794 /nfs/dbraw/zinc/53/07/94/345530794.db2.gz VXQXETYEIANEJS-ZDUSSCGKSA-N 0 0 195.247 1.268 10 0 ADAERN COc1nccnc1N[C@@H]1C[C@H]1C 306668432 345530816 /nfs/dbraw/zinc/53/08/16/345530816.db2.gz WIXDPFKBHCLWKO-RNFRBKRXSA-N 0 0 179.223 1.306 10 0 ADAERN CC(C)[C@@H](C)[C@](C)(O)c1ccncn1 306668181 345530875 /nfs/dbraw/zinc/53/08/75/345530875.db2.gz KALBFKHTXWXDEM-KOLCDFICSA-N 0 0 194.278 1.976 10 0 ADAERN CC[C@H](N)c1nnc(C(C)(F)F)o1 306667974 345530999 /nfs/dbraw/zinc/53/09/99/345530999.db2.gz FGQMCPWVGPPHMU-BYPYZUCNSA-N 0 0 191.181 1.591 10 0 ADAERN CC(C)[C@H](C)[C@@](C)(O)c1ccncn1 306668180 345531013 /nfs/dbraw/zinc/53/10/13/345531013.db2.gz KALBFKHTXWXDEM-GXSJLCMTSA-N 0 0 194.278 1.976 10 0 ADAERN CC[C@](C)(O)CN1CC(C)(F)C1 306668009 345531039 /nfs/dbraw/zinc/53/10/39/345531039.db2.gz FKZCUXOSHVEVJX-VIFPVBQESA-N 0 0 175.247 1.191 10 0 ADAERN Cc1cc(C)c(-c2nc(CN)no2)[nH]1 306668608 345531278 /nfs/dbraw/zinc/53/12/78/345531278.db2.gz KPRVKMALOARGQZ-UHFFFAOYSA-N 0 0 192.222 1.140 10 0 ADAERN Nc1ncc(-c2cscn2)s1 306668582 345531294 /nfs/dbraw/zinc/53/12/94/345531294.db2.gz FVVOAAMXSYVSDA-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN Cc1nc(NCc2ccccc2)no1 306668892 345531296 /nfs/dbraw/zinc/53/12/96/345531296.db2.gz WPKSYONPVUWGPC-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1ccc(N2CC(C)(O)C2)cc1N 306668764 345531459 /nfs/dbraw/zinc/53/14/59/345531459.db2.gz GCHPVWDVMYSJCC-UHFFFAOYSA-N 0 0 192.262 1.148 10 0 ADAERN O=C1CCN(C[C@H]2CCCSC2)C1 306669895 345531729 /nfs/dbraw/zinc/53/17/29/345531729.db2.gz GYPHJRQULCMVER-SECBINFHSA-N 0 0 199.319 1.404 10 0 ADAERN COC(=O)N[C@@H](C)C(C)(F)F 306669422 345531750 /nfs/dbraw/zinc/53/17/50/345531750.db2.gz WXHRJBVYSXYFPL-BYPYZUCNSA-N 0 0 167.155 1.386 10 0 ADAERN Cc1nc(Cl)cc(N2CC(C)C2)n1 306669524 345531766 /nfs/dbraw/zinc/53/17/66/345531766.db2.gz LFSWOZUFNQNOFG-UHFFFAOYSA-N 0 0 197.669 1.895 10 0 ADAERN COC(=O)N[C@H](C)C(C)(F)F 306669423 345531883 /nfs/dbraw/zinc/53/18/83/345531883.db2.gz WXHRJBVYSXYFPL-SCSAIBSYSA-N 0 0 167.155 1.386 10 0 ADAERN O=C1CCN(C[C@@H]2CCCSC2)C1 306669902 345531955 /nfs/dbraw/zinc/53/19/55/345531955.db2.gz GYPHJRQULCMVER-VIFPVBQESA-N 0 0 199.319 1.404 10 0 ADAERN CC(=O)c1ccnc(-c2ccccn2)n1 306670116 345532273 /nfs/dbraw/zinc/53/22/73/345532273.db2.gz LNKYDLCIYPZMCY-UHFFFAOYSA-N 0 0 199.213 1.741 10 0 ADAERN Cc1c(F)cc(C(N)=O)cc1Cl 306670323 345532522 /nfs/dbraw/zinc/53/25/22/345532522.db2.gz CONCOTUBCLDWHV-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN CN(C)C(=O)C1(C(F)(F)F)CC1 306671473 345533013 /nfs/dbraw/zinc/53/30/13/345533013.db2.gz YYXUNWVSJMKZDH-UHFFFAOYSA-N 0 0 181.157 1.417 10 0 ADAERN CSC[C@@H](O)C1=COCC1 306670993 345533041 /nfs/dbraw/zinc/53/30/41/345533041.db2.gz FFVBBRCTLYJGHP-SSDOTTSWSA-N 0 0 160.238 1.015 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@@H](C)[C@@H]1C 306671133 345533069 /nfs/dbraw/zinc/53/30/69/345533069.db2.gz YJZPXFACXVJXLW-UNISNWAASA-N 0 0 167.252 1.723 10 0 ADAERN CC1(C)CC[C@@H]1N1CCNC1=O 306671570 345533073 /nfs/dbraw/zinc/53/30/73/345533073.db2.gz ZCWRTOPZPKWDJD-ZETCQYMHSA-N 0 0 168.240 1.200 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@H](C)[C@@H]1C 306671136 345533090 /nfs/dbraw/zinc/53/30/90/345533090.db2.gz YJZPXFACXVJXLW-VSXNJVAHSA-N 0 0 167.252 1.723 10 0 ADAERN Cn1cc([C@@]2(O)CCCC2(C)C)nn1 306671616 345533111 /nfs/dbraw/zinc/53/31/11/345533111.db2.gz ZERTURIMTLFLIL-JTQLQIEISA-N 0 0 195.266 1.213 10 0 ADAERN CC1(C)CC[C@H]1N1CCNC1=O 306671569 345533192 /nfs/dbraw/zinc/53/31/92/345533192.db2.gz ZCWRTOPZPKWDJD-SSDOTTSWSA-N 0 0 168.240 1.200 10 0 ADAERN CSC[C@H](O)C1=COCC1 306670994 345533242 /nfs/dbraw/zinc/53/32/42/345533242.db2.gz FFVBBRCTLYJGHP-ZETCQYMHSA-N 0 0 160.238 1.015 10 0 ADAERN CC1(C)CC2(COC(=O)N2)C1 306671020 345533254 /nfs/dbraw/zinc/53/32/54/345533254.db2.gz FIBZBLZDIVAHPC-UHFFFAOYSA-N 0 0 155.197 1.285 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@H](C)[C@H]1C 306671135 345533295 /nfs/dbraw/zinc/53/32/95/345533295.db2.gz YJZPXFACXVJXLW-VDVDPMKASA-N 0 0 167.252 1.723 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@@H](C)[C@H]1C 306671134 345533349 /nfs/dbraw/zinc/53/33/49/345533349.db2.gz YJZPXFACXVJXLW-VARVQHAUSA-N 0 0 167.252 1.723 10 0 ADAERN Cn1cc([C@]2(O)CCCC2(C)C)nn1 306671617 345533399 /nfs/dbraw/zinc/53/33/99/345533399.db2.gz ZERTURIMTLFLIL-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN Cc1nc(-c2ccsn2)cc(=O)[nH]1 306672552 345533604 /nfs/dbraw/zinc/53/36/04/345533604.db2.gz HHCCJBUIMQJKTG-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@H]1CC[C@H](C(=O)N2CCCO2)C1 306672444 345533630 /nfs/dbraw/zinc/53/36/30/345533630.db2.gz LZCREIONPMFFLY-IUCAKERBSA-N 0 0 183.251 1.587 10 0 ADAERN Cc1nc([C@@H](O)c2ncc[nH]2)cs1 306672067 345533652 /nfs/dbraw/zinc/53/36/52/345533652.db2.gz ZWLMHAOEHZXGOO-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1nc([C@H](O)c2ncc[nH]2)cs1 306672068 345533800 /nfs/dbraw/zinc/53/38/00/345533800.db2.gz ZWLMHAOEHZXGOO-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1cn(CCCF)c(=S)[nH]1 306672805 345534223 /nfs/dbraw/zinc/53/42/23/345534223.db2.gz MLCHOFPQDLQOAO-UHFFFAOYSA-N 0 0 174.244 1.840 10 0 ADAERN CC(=O)c1ccnc(-c2cccnc2)n1 306673380 345535050 /nfs/dbraw/zinc/53/50/50/345535050.db2.gz NKXMRVJUQUXQPM-UHFFFAOYSA-N 0 0 199.213 1.741 10 0 ADAERN CCn1cnc(C(=O)c2ccoc2)c1 306673356 345535069 /nfs/dbraw/zinc/53/50/69/345535069.db2.gz NIIIMILRJCOOSC-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN FC(F)CNc1cn2ccnc2cn1 306673416 345535163 /nfs/dbraw/zinc/53/51/63/345535163.db2.gz NPXNWNLAHQFAMV-UHFFFAOYSA-N 0 0 198.176 1.406 10 0 ADAERN Cc1cc(C)nc([C@@H](NN)C(C)C)c1 306674005 345535394 /nfs/dbraw/zinc/53/53/94/345535394.db2.gz PCPWQLLRLLNWPA-NSHDSACASA-N 0 0 193.294 1.859 10 0 ADAERN CSc1noc(-c2cc(C)[nH]n2)n1 306673869 345535479 /nfs/dbraw/zinc/53/54/79/345535479.db2.gz OSRAZQJUKOBVPN-UHFFFAOYSA-N 0 0 196.235 1.490 10 0 ADAERN COc1nnc(N(C)C2CCC2)s1 306674000 345535650 /nfs/dbraw/zinc/53/56/50/345535650.db2.gz PBRSJXDNMQKXKB-UHFFFAOYSA-N 0 0 199.279 1.535 10 0 ADAERN CC1(C)CN(c2ccc(Cl)nn2)C1 306674173 345535654 /nfs/dbraw/zinc/53/56/54/345535654.db2.gz PRGPGALJUBTWFG-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN CCCNc1nc(N)nc(C(C)C)n1 306673866 345535698 /nfs/dbraw/zinc/53/56/98/345535698.db2.gz OSHNXGSFLCKGDG-UHFFFAOYSA-N 0 0 195.270 1.399 10 0 ADAERN C[C@H](O)c1cccnc1N1CC=CC1 306673992 345535773 /nfs/dbraw/zinc/53/57/73/345535773.db2.gz PALBONHUMYPCPD-VIFPVBQESA-N 0 0 190.246 1.511 10 0 ADAERN FC(F)(CNc1cccnn1)C1CC1 306674003 345535788 /nfs/dbraw/zinc/53/57/88/345535788.db2.gz PCPKITQKQPBBNZ-UHFFFAOYSA-N 0 0 199.204 1.934 10 0 ADAERN Cc1cc(C)nc([C@H](NN)C(C)C)c1 306674004 345535807 /nfs/dbraw/zinc/53/58/07/345535807.db2.gz PCPWQLLRLLNWPA-LLVKDONJSA-N 0 0 193.294 1.859 10 0 ADAERN CC[C@]1(C(C)C)NCC(=O)N1C1CC1 306674535 345536059 /nfs/dbraw/zinc/53/60/59/345536059.db2.gz QOSFRUNDRQUDJI-NSHDSACASA-N 0 0 196.294 1.343 10 0 ADAERN CSc1nc(=O)[nH]c(C)c1C(C)=O 306674437 345536088 /nfs/dbraw/zinc/53/60/88/345536088.db2.gz QHOHCDHBXVHOFS-UHFFFAOYSA-N 0 0 198.247 1.415 10 0 ADAERN CCONC(=O)N[C@H]1[C@H]2CCC[C@H]21 306674507 345536243 /nfs/dbraw/zinc/53/62/43/345536243.db2.gz QNFYSVMEKMMPNN-RNLVFQAGSA-N 0 0 184.239 1.036 10 0 ADAERN CC[C@@]1(C(C)C)NCC(=O)N1C1CC1 306674534 345536400 /nfs/dbraw/zinc/53/64/00/345536400.db2.gz QOSFRUNDRQUDJI-LLVKDONJSA-N 0 0 196.294 1.343 10 0 ADAERN Fc1ccc(CNc2c[nH]cn2)cn1 306674510 345536552 /nfs/dbraw/zinc/53/65/52/345536552.db2.gz QNIWZPBBMGEWJE-UHFFFAOYSA-N 0 0 192.197 1.556 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)[C@@H]1CC1(C)C 306674798 345536846 /nfs/dbraw/zinc/53/68/46/345536846.db2.gz REHYMHKNHNKMTP-YUMQZZPRSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@H]1OCC[C@H]1NC(=O)C1=CCC1 306675006 345536868 /nfs/dbraw/zinc/53/68/68/345536868.db2.gz RSGQSBPHSVLUSK-VXNVDRBHSA-N 0 0 181.235 1.000 10 0 ADAERN CN(C)c1noc([C@@H]2CCSC2)n1 306674855 345536887 /nfs/dbraw/zinc/53/68/87/345536887.db2.gz RKIXMEQDROMHBP-ZCFIWIBFSA-N 0 0 199.279 1.356 10 0 ADAERN CC1(C)C[C@H]1NC(=O)[C@@H]1CC1(C)C 306674796 345536901 /nfs/dbraw/zinc/53/69/01/345536901.db2.gz REHYMHKNHNKMTP-JGVFFNPUSA-N 0 0 181.279 1.947 10 0 ADAERN Cn1cnc([C@H](O)[C@H]2CCSC2)c1 306675125 345536943 /nfs/dbraw/zinc/53/69/43/345536943.db2.gz RXDNBSHECWOIJO-IONNQARKSA-N 0 0 198.291 1.207 10 0 ADAERN CC1(CN[C@@]2(C)CCOC2=O)CCC1 306674870 345536971 /nfs/dbraw/zinc/53/69/71/345536971.db2.gz RLLDDFKDHDVQSG-NSHDSACASA-N 0 0 197.278 1.472 10 0 ADAERN Cn1cnc([C@@H](O)[C@@H]2CCSC2)c1 306675123 345537031 /nfs/dbraw/zinc/53/70/31/345537031.db2.gz RXDNBSHECWOIJO-APPZFPTMSA-N 0 0 198.291 1.207 10 0 ADAERN CN(C)c1noc([C@H]2CCSC2)n1 306674854 345537092 /nfs/dbraw/zinc/53/70/92/345537092.db2.gz RKIXMEQDROMHBP-LURJTMIESA-N 0 0 199.279 1.356 10 0 ADAERN Cn1cnc([C@@H](O)[C@H]2CCSC2)c1 306675124 345537104 /nfs/dbraw/zinc/53/71/04/345537104.db2.gz RXDNBSHECWOIJO-CBAPKCEASA-N 0 0 198.291 1.207 10 0 ADAERN Cn1cnc([C@H](O)[C@@H]2CCSC2)c1 306675126 345537153 /nfs/dbraw/zinc/53/71/53/345537153.db2.gz RXDNBSHECWOIJO-VXNVDRBHSA-N 0 0 198.291 1.207 10 0 ADAERN CCc1oc(C(=O)NOC)cc1C 306675013 345537183 /nfs/dbraw/zinc/53/71/83/345537183.db2.gz RSOOHNULRAUQHW-UHFFFAOYSA-N 0 0 183.207 1.442 10 0 ADAERN CSCC(=O)Nc1nc(C)c(C)[nH]1 306674859 345537200 /nfs/dbraw/zinc/53/72/00/345537200.db2.gz RKXNAIPEWCLTRN-UHFFFAOYSA-N 0 0 199.279 1.328 10 0 ADAERN CC1(CN[C@]2(C)CCOC2=O)CCC1 306674869 345537211 /nfs/dbraw/zinc/53/72/11/345537211.db2.gz RLLDDFKDHDVQSG-LLVKDONJSA-N 0 0 197.278 1.472 10 0 ADAERN CS[C@H](C)C(=O)N1C[C@@H]2CCC[C@@H]21 306675168 345537478 /nfs/dbraw/zinc/53/74/78/345537478.db2.gz RZKJITKXRXHFCL-VGMNWLOBSA-N 0 0 199.319 1.749 10 0 ADAERN CS[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]21 306675166 345537498 /nfs/dbraw/zinc/53/74/98/345537498.db2.gz RZKJITKXRXHFCL-HRDYMLBCSA-N 0 0 199.319 1.749 10 0 ADAERN Cc1cccc2c1OC[C@@H]2[NH2+]CCO 306675752 345537520 /nfs/dbraw/zinc/53/75/20/345537520.db2.gz UGNFIQJMPZEUOM-JTQLQIEISA-N 0 0 193.246 1.010 10 0 ADAERN CCNC(=S)N1CC[C@@H]2CCC[C@H]21 306675697 345537598 /nfs/dbraw/zinc/53/75/98/345537598.db2.gz UAZFJKUBFQFLTE-DTWKUNHWSA-N 0 0 198.335 1.755 10 0 ADAERN CS[C@H](C)C(=O)N1C[C@H]2CCC[C@H]21 306675167 345537612 /nfs/dbraw/zinc/53/76/12/345537612.db2.gz RZKJITKXRXHFCL-IWSPIJDZSA-N 0 0 199.319 1.749 10 0 ADAERN Nc1cccc(NCCC(F)F)[nH+]1 306675468 345537614 /nfs/dbraw/zinc/53/76/14/345537614.db2.gz SQMLAUBHSXLTCP-UHFFFAOYSA-N 0 0 187.193 1.731 10 0 ADAERN CCNC(=S)N1CC[C@H]2CCC[C@@H]21 306675696 345537633 /nfs/dbraw/zinc/53/76/33/345537633.db2.gz UAZFJKUBFQFLTE-BDAKNGLRSA-N 0 0 198.335 1.755 10 0 ADAERN CCNC(=S)N1CC[C@@H]2CCC[C@@H]21 306675698 345537641 /nfs/dbraw/zinc/53/76/41/345537641.db2.gz UAZFJKUBFQFLTE-IUCAKERBSA-N 0 0 198.335 1.755 10 0 ADAERN Cc1ccc(N2CC=CC2)c(CO)c1 306675438 345537658 /nfs/dbraw/zinc/53/76/58/345537658.db2.gz SNPUMMJDIQPDDU-UHFFFAOYSA-N 0 0 189.258 1.864 10 0 ADAERN C[C@H]1OCC[C@@H]1NC(=O)C1CCC1 306675360 345537677 /nfs/dbraw/zinc/53/76/77/345537677.db2.gz SIPSJKHGKJXMEQ-APPZFPTMSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1OCC[C@H]1NC(=O)C1CCC1 306675362 345537689 /nfs/dbraw/zinc/53/76/89/345537689.db2.gz SIPSJKHGKJXMEQ-IONNQARKSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1OCC[C@@H]1NC(=O)C1CCC1 306675361 345537699 /nfs/dbraw/zinc/53/76/99/345537699.db2.gz SIPSJKHGKJXMEQ-CBAPKCEASA-N 0 0 183.251 1.080 10 0 ADAERN CCNC(=S)N1CC[C@H]2CCC[C@H]21 306675699 345537738 /nfs/dbraw/zinc/53/77/38/345537738.db2.gz UAZFJKUBFQFLTE-RKDXNWHRSA-N 0 0 198.335 1.755 10 0 ADAERN Cc1ccnc(-c2cn(C)cn2)c1N 306675363 345537713 /nfs/dbraw/zinc/53/77/13/345537713.db2.gz SIQITUBBIXNPFM-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CS[C@H](C)C(=O)N1C[C@H]2CCC[C@@H]21 306675165 345537746 /nfs/dbraw/zinc/53/77/46/345537746.db2.gz RZKJITKXRXHFCL-HLTSFMKQSA-N 0 0 199.319 1.749 10 0 ADAERN Cc1noc(N2CCS[C@@H](C)C2)n1 306675759 345537985 /nfs/dbraw/zinc/53/79/85/345537985.db2.gz UGTNRTNPJSQJQG-LURJTMIESA-N 0 0 199.279 1.320 10 0 ADAERN COc1ncc([C@@H](O)C2CCC2)cn1 306675812 345537996 /nfs/dbraw/zinc/53/79/96/345537996.db2.gz ULNZLVOIDUSLBV-VIFPVBQESA-N 0 0 194.234 1.319 10 0 ADAERN COc1ncc([C@H](O)C2CCC2)cn1 306675811 345538012 /nfs/dbraw/zinc/53/80/12/345538012.db2.gz ULNZLVOIDUSLBV-SECBINFHSA-N 0 0 194.234 1.319 10 0 ADAERN Cc1[nH]c(=O)n(C[Si](C)(C)C)c1C 306675959 345538038 /nfs/dbraw/zinc/53/80/38/345538038.db2.gz UXFNAAWIKRAPSN-UHFFFAOYSA-N 0 0 198.342 1.671 10 0 ADAERN Cc1noc(N2CCS[C@H](C)C2)n1 306675760 345538040 /nfs/dbraw/zinc/53/80/40/345538040.db2.gz UGTNRTNPJSQJQG-ZCFIWIBFSA-N 0 0 199.279 1.320 10 0 ADAERN CC(C)[C@@H](C)[C@@H](O)c1csnn1 306676447 345538604 /nfs/dbraw/zinc/53/86/04/345538604.db2.gz WBDNHVNMWKTLLW-HTRCEHHLSA-N 0 0 186.280 1.864 10 0 ADAERN C[C@H](CO)[C@@H]1Cc2ccccc2[C@H]1O 306676324 345538619 /nfs/dbraw/zinc/53/86/19/345538619.db2.gz VVVSUAKZIQQHEP-JFUSQASVSA-N 0 0 192.258 1.521 10 0 ADAERN CC(C)[C@H](C)[C@@H](O)c1csnn1 306676448 345538679 /nfs/dbraw/zinc/53/86/79/345538679.db2.gz WBDNHVNMWKTLLW-POYBYMJQSA-N 0 0 186.280 1.864 10 0 ADAERN CC(C)[C@@H](C)[C@H](O)c1csnn1 306676449 345538690 /nfs/dbraw/zinc/53/86/90/345538690.db2.gz WBDNHVNMWKTLLW-SVRRBLITSA-N 0 0 186.280 1.864 10 0 ADAERN CC(C)[C@H](C)[C@H](O)c1csnn1 306676450 345538721 /nfs/dbraw/zinc/53/87/21/345538721.db2.gz WBDNHVNMWKTLLW-XPUUQOCRSA-N 0 0 186.280 1.864 10 0 ADAERN C[C@H](CO)[C@H]1Cc2ccccc2[C@H]1O 306676323 345538742 /nfs/dbraw/zinc/53/87/42/345538742.db2.gz VVVSUAKZIQQHEP-GGZOMVNGSA-N 0 0 192.258 1.521 10 0 ADAERN C[C@H](CO)[C@H]1Cc2ccccc2[C@@H]1O 306676322 345538779 /nfs/dbraw/zinc/53/87/79/345538779.db2.gz VVVSUAKZIQQHEP-FXAINCCUSA-N 0 0 192.258 1.521 10 0 ADAERN C[C@H](CO)[C@@H]1Cc2ccccc2[C@@H]1O 306676325 345538852 /nfs/dbraw/zinc/53/88/52/345538852.db2.gz VVVSUAKZIQQHEP-ZHAHWJHGSA-N 0 0 192.258 1.521 10 0 ADAERN Cc1ncnc(NCCCF)c1F 306677015 345538988 /nfs/dbraw/zinc/53/89/88/345538988.db2.gz XWACGWHZJWXILC-UHFFFAOYSA-N 0 0 187.193 1.696 10 0 ADAERN COc1ncc([C@](C)(O)C2CC2)cn1 306676818 345539073 /nfs/dbraw/zinc/53/90/73/345539073.db2.gz XETIASVCTDXPDX-SNVBAGLBSA-N 0 0 194.234 1.103 10 0 ADAERN CC[C@@H](C)Cn1cnc(C)cc1=O 306676725 345539075 /nfs/dbraw/zinc/53/90/75/345539075.db2.gz WYJJORNZJHSJSQ-MRVPVSSYSA-N 0 0 180.251 1.598 10 0 ADAERN Cc1cc(OCC(=O)[O-])cc(C)[nH+]1 306676911 345539184 /nfs/dbraw/zinc/53/91/84/345539184.db2.gz XKRIWQYZJQXEHY-UHFFFAOYSA-N 0 0 181.191 1.162 10 0 ADAERN CC1(C(=O)N2CCCSCC2)CC1 306676727 345539192 /nfs/dbraw/zinc/53/91/92/345539192.db2.gz WYKJEYDAIWIXPO-UHFFFAOYSA-N 0 0 199.319 1.752 10 0 ADAERN OCCn1ccc(NC2CCCC2)n1 306676984 345539254 /nfs/dbraw/zinc/53/92/54/345539254.db2.gz XTTWOKJISMABNW-UHFFFAOYSA-N 0 0 195.266 1.230 10 0 ADAERN COc1ncc([C@@](C)(O)C2CC2)cn1 306676817 345539258 /nfs/dbraw/zinc/53/92/58/345539258.db2.gz XETIASVCTDXPDX-JTQLQIEISA-N 0 0 194.234 1.103 10 0 ADAERN Cc1c(N)nsc1N1CC(C)(C)C1 306676689 345539297 /nfs/dbraw/zinc/53/92/97/345539297.db2.gz WVPDJQFMLKSROF-UHFFFAOYSA-N 0 0 197.307 1.880 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@]1(C)CCCS1 306676757 345539328 /nfs/dbraw/zinc/53/93/28/345539328.db2.gz WZHIJSUCMKTLEK-WEDXCCLWSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@]1(C)CCCS1 306676756 345539374 /nfs/dbraw/zinc/53/93/74/345539374.db2.gz WZHIJSUCMKTLEK-KHQFGBGNSA-N 0 0 199.319 1.797 10 0 ADAERN Cc1[nH]c(=O)n(CC(F)(F)F)c1C 306676962 345539377 /nfs/dbraw/zinc/53/93/77/345539377.db2.gz XQMXGDZCHDBNBX-UHFFFAOYSA-N 0 0 194.156 1.356 10 0 ADAERN Fc1cccnc1NCc1cocn1 306677403 345539465 /nfs/dbraw/zinc/53/94/65/345539465.db2.gz YRUWRCCGDOEXAS-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN CCC(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C 306677149 345539482 /nfs/dbraw/zinc/53/94/82/345539482.db2.gz YIPVQAWNYGSWTQ-CIUDSAMLSA-N 0 0 185.267 1.421 10 0 ADAERN CCC(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C 306677151 345539500 /nfs/dbraw/zinc/53/95/00/345539500.db2.gz YIPVQAWNYGSWTQ-XHNCKOQMSA-N 0 0 185.267 1.421 10 0 ADAERN CCC(=O)N1C[C@H](C)O[C@H](C)[C@H]1C 306677150 345539566 /nfs/dbraw/zinc/53/95/66/345539566.db2.gz YIPVQAWNYGSWTQ-DJLDLDEBSA-N 0 0 185.267 1.421 10 0 ADAERN CCC(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C 306677152 345539673 /nfs/dbraw/zinc/53/96/73/345539673.db2.gz YIPVQAWNYGSWTQ-YIZRAAEISA-N 0 0 185.267 1.421 10 0 ADAERN COc1nccnc1NC1CCC1 306677473 345539747 /nfs/dbraw/zinc/53/97/47/345539747.db2.gz YYPCESDFUJWWKP-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CS[C@@H](C)C(=O)N[C@@H]1C[C@H]1C 306677862 345539894 /nfs/dbraw/zinc/53/98/94/345539894.db2.gz HJAMVVOGTAALPB-DSYKOEDSSA-N 0 0 173.281 1.263 10 0 ADAERN COC(=O)N[C@H]1C[C@@H]1C1CC1 306677846 345539902 /nfs/dbraw/zinc/53/99/02/345539902.db2.gz ALZRXJIUYDFRJE-RQJHMYQMSA-N 0 0 155.197 1.141 10 0 ADAERN O=C1OCC[C@H]1Nc1ccccc1F 306677796 345539904 /nfs/dbraw/zinc/53/99/04/345539904.db2.gz ZWCMMQZPGPPWEF-SECBINFHSA-N 0 0 195.193 1.553 10 0 ADAERN Cc1cnn(CC2=NC(=O)CS2)c1 306677966 345539917 /nfs/dbraw/zinc/53/99/17/345539917.db2.gz ACAYUGVYBWZSJZ-UHFFFAOYSA-N 0 0 195.247 1.402 10 0 ADAERN O=C1OCC[C@@H]1Nc1ccccc1F 306677797 345539923 /nfs/dbraw/zinc/53/99/23/345539923.db2.gz ZWCMMQZPGPPWEF-VIFPVBQESA-N 0 0 195.193 1.553 10 0 ADAERN C[C@H](NN)[C@@H]1CCCC[C@H]1C 306677951 345539970 /nfs/dbraw/zinc/53/99/70/345539970.db2.gz AHYNNLKXQKBDBX-HRDYMLBCSA-N 0 0 156.273 1.665 10 0 ADAERN CC(C)[C@@H](C)[C@H](O)c1cnn(C)c1N 306677667 345539980 /nfs/dbraw/zinc/53/99/80/345539980.db2.gz ZLEOXYCCNTZDHL-APPZFPTMSA-N 0 0 197.282 1.328 10 0 ADAERN CC(F)(F)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306677873 345539982 /nfs/dbraw/zinc/53/99/82/345539982.db2.gz AGVPFYGODUBFTO-ZMONIFLSSA-N 0 0 189.205 1.556 10 0 ADAERN CC(C)[C@H](C)[C@@H](O)c1cnn(C)c1N 306677669 345540001 /nfs/dbraw/zinc/54/00/01/345540001.db2.gz ZLEOXYCCNTZDHL-IONNQARKSA-N 0 0 197.282 1.328 10 0 ADAERN CC(C)[C@@H](C)[C@@H](O)c1cnn(C)c1N 306677670 345540049 /nfs/dbraw/zinc/54/00/49/345540049.db2.gz ZLEOXYCCNTZDHL-VXNVDRBHSA-N 0 0 197.282 1.328 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H](C)NN 306677949 345540055 /nfs/dbraw/zinc/54/00/55/345540055.db2.gz AHYNNLKXQKBDBX-HLTSFMKQSA-N 0 0 156.273 1.665 10 0 ADAERN CC(F)(F)C(=O)N[C@H]1[C@H]2CCC[C@H]21 306677867 345540148 /nfs/dbraw/zinc/54/01/48/345540148.db2.gz AGVPFYGODUBFTO-KVSKUHBBSA-N 0 0 189.205 1.556 10 0 ADAERN COC(=O)N[C@@H]1C[C@@H]1C1CC1 306677839 345540168 /nfs/dbraw/zinc/54/01/68/345540168.db2.gz ALZRXJIUYDFRJE-RNFRBKRXSA-N 0 0 155.197 1.141 10 0 ADAERN CC(C)[C@H](C)[C@H](O)c1cnn(C)c1N 306677668 345540172 /nfs/dbraw/zinc/54/01/72/345540172.db2.gz ZLEOXYCCNTZDHL-CBAPKCEASA-N 0 0 197.282 1.328 10 0 ADAERN C[C@H](NN)[C@H]1CCCC[C@H]1C 306677959 345540181 /nfs/dbraw/zinc/54/01/81/345540181.db2.gz AHYNNLKXQKBDBX-VGMNWLOBSA-N 0 0 156.273 1.665 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@@H](C)NN 306677955 345540207 /nfs/dbraw/zinc/54/02/07/345540207.db2.gz AHYNNLKXQKBDBX-IWSPIJDZSA-N 0 0 156.273 1.665 10 0 ADAERN COC[C@@H](C)C(=O)Nc1ccsc1 306678149 345540457 /nfs/dbraw/zinc/54/04/57/345540457.db2.gz BBXSSNFASYQYKP-SSDOTTSWSA-N 0 0 199.275 1.969 10 0 ADAERN CCc1ccc(OC(N)=O)c(N)c1 306678528 345540463 /nfs/dbraw/zinc/54/04/63/345540463.db2.gz BKFMXXYJDSBKFL-UHFFFAOYSA-N 0 0 180.207 1.289 10 0 ADAERN CCNC(=O)c1sccc1C(C)=O 306678567 345540490 /nfs/dbraw/zinc/54/04/90/345540490.db2.gz BQZRDCFQHXKODX-UHFFFAOYSA-N 0 0 197.259 1.700 10 0 ADAERN C[C@@H](C1CCC1)N(C)C=O 306678492 345540512 /nfs/dbraw/zinc/54/05/12/345540512.db2.gz BEWLAWXWINOTRL-ZETCQYMHSA-N 0 0 141.214 1.263 10 0 ADAERN COc1cncc(NC2CC2)n1 306678345 345540546 /nfs/dbraw/zinc/54/05/46/345540546.db2.gz AIWACCJBTCHZOR-UHFFFAOYSA-N 0 0 165.196 1.060 10 0 ADAERN C[C@H](C1CCC1)N(C)C=O 306678491 345540587 /nfs/dbraw/zinc/54/05/87/345540587.db2.gz BEWLAWXWINOTRL-SSDOTTSWSA-N 0 0 141.214 1.263 10 0 ADAERN O=c1ccc(F)cn1C(F)F 306678406 345540591 /nfs/dbraw/zinc/54/05/91/345540591.db2.gz AKVNRLAHQTVMBJ-UHFFFAOYSA-N 0 0 163.098 1.383 10 0 ADAERN Cc1ccc(OC(N)=O)c(N)c1 306678478 345540594 /nfs/dbraw/zinc/54/05/94/345540594.db2.gz BDERYHFSSOGPTG-UHFFFAOYSA-N 0 0 166.180 1.035 10 0 ADAERN COC[C@H](C)C(=O)Nc1ccsc1 306678155 345540598 /nfs/dbraw/zinc/54/05/98/345540598.db2.gz BBXSSNFASYQYKP-ZETCQYMHSA-N 0 0 199.275 1.969 10 0 ADAERN Cc1cc(OC(N)=O)c(F)cc1N 306679135 345540810 /nfs/dbraw/zinc/54/08/10/345540810.db2.gz BZYVFWATMQIKBL-UHFFFAOYSA-N 0 0 184.170 1.174 10 0 ADAERN CC(=O)[C@H]1COC(C)(C)C1 306678946 345540867 /nfs/dbraw/zinc/54/08/67/345540867.db2.gz AVBWZSFADXTTKT-SSDOTTSWSA-N 0 0 142.198 1.391 10 0 ADAERN CC[C@H](O)[C@@H](C)Nc1cccc(F)n1 306679009 345540920 /nfs/dbraw/zinc/54/09/20/345540920.db2.gz AUNJMQNMYPUJDB-SFYZADRCSA-N 0 0 198.241 1.792 10 0 ADAERN Cn1nccc1[C@@H]1CCCC[N@@H+]1C 306679110 345541032 /nfs/dbraw/zinc/54/10/32/345541032.db2.gz BVZAIJVCZWLJDI-VIFPVBQESA-N 0 0 179.267 1.577 10 0 ADAERN Cn1nccc1[C@H]1CCCC[N@@H+]1C 306679106 345541068 /nfs/dbraw/zinc/54/10/68/345541068.db2.gz BVZAIJVCZWLJDI-SECBINFHSA-N 0 0 179.267 1.577 10 0 ADAERN O=CC(=O)c1c(F)cccc1Cl 306678802 345541122 /nfs/dbraw/zinc/54/11/22/345541122.db2.gz HGHOJIMPVMKOBY-UHFFFAOYSA-N 0 0 186.569 1.861 10 0 ADAERN O[C@]1(c2ccsn2)CC[C@H]2C[C@H]21 306679282 345541125 /nfs/dbraw/zinc/54/11/25/345541125.db2.gz IBLXCQWKWPBMNE-LKEWCRSYSA-N 0 0 181.260 1.761 10 0 ADAERN O[C@]1(c2ccsn2)CC[C@@H]2C[C@@H]21 306679277 345541129 /nfs/dbraw/zinc/54/11/29/345541129.db2.gz IBLXCQWKWPBMNE-BKPPORCPSA-N 0 0 181.260 1.761 10 0 ADAERN CC[C@@H](O)[C@@H](C)Nc1cccc(F)n1 306679005 345541141 /nfs/dbraw/zinc/54/11/41/345541141.db2.gz AUNJMQNMYPUJDB-HTQZYQBOSA-N 0 0 198.241 1.792 10 0 ADAERN CC(=O)c1c[nH]c(CC(F)(F)F)n1 306678755 345541168 /nfs/dbraw/zinc/54/11/68/345541168.db2.gz HCJACQJVNKYMMF-UHFFFAOYSA-N 0 0 192.140 1.717 10 0 ADAERN c1ncn(COC2CCCC2)n1 306678895 345541174 /nfs/dbraw/zinc/54/11/74/345541174.db2.gz ANFURDCMZQSRDY-UHFFFAOYSA-N 0 0 167.212 1.195 10 0 ADAERN CC(=O)[C@@H]1COC(C)(C)C1 306678948 345541195 /nfs/dbraw/zinc/54/11/95/345541195.db2.gz AVBWZSFADXTTKT-ZETCQYMHSA-N 0 0 142.198 1.391 10 0 ADAERN CC[C@@H](O)[C@H](C)Nc1cccc(F)n1 306679007 345541206 /nfs/dbraw/zinc/54/12/06/345541206.db2.gz AUNJMQNMYPUJDB-JGVFFNPUSA-N 0 0 198.241 1.792 10 0 ADAERN Cn1cnc([C@H]2NCCCS2)c1 306679958 345541431 /nfs/dbraw/zinc/54/14/31/345541431.db2.gz JIRJTZKPQBMUDI-QMMMGPOBSA-N 0 0 183.280 1.145 10 0 ADAERN C[C@@H](Nc1ncncc1N)C(F)F 306679439 345541473 /nfs/dbraw/zinc/54/14/73/345541473.db2.gz HRAOOFWBEQZOHF-SCSAIBSYSA-N 0 0 188.181 1.124 10 0 ADAERN CC[NH2+][C@H](C)c1[nH]c(=O)sc1C 306679362 345541498 /nfs/dbraw/zinc/54/14/98/345541498.db2.gz IDHONNKYSKFNQX-RXMQYKEDSA-N 0 0 186.280 1.828 10 0 ADAERN CC[NH2+][C@@H](C)c1[nH]c(=O)sc1C 306679373 345541504 /nfs/dbraw/zinc/54/15/04/345541504.db2.gz IDHONNKYSKFNQX-YFKPBYRVSA-N 0 0 186.280 1.828 10 0 ADAERN Cn1ncnc1[C@H](O)CC(C)(C)C 306679589 345541513 /nfs/dbraw/zinc/54/15/13/345541513.db2.gz IQNMYOIPAYEUNW-SSDOTTSWSA-N 0 0 183.255 1.285 10 0 ADAERN Cn1cnc([C@@H]2NCCCS2)c1 306679957 345541624 /nfs/dbraw/zinc/54/16/24/345541624.db2.gz JIRJTZKPQBMUDI-MRVPVSSYSA-N 0 0 183.280 1.145 10 0 ADAERN CC1(C)OCC[C@H]1n1cc[nH]c1=S 306679515 345541697 /nfs/dbraw/zinc/54/16/97/345541697.db2.gz IGEOQECZWNMZSZ-SSDOTTSWSA-N 0 0 198.291 1.912 10 0 ADAERN CC1(C)OCC[C@@H]1n1cc[nH]c1=S 306679516 345541719 /nfs/dbraw/zinc/54/17/19/345541719.db2.gz IGEOQECZWNMZSZ-ZETCQYMHSA-N 0 0 198.291 1.912 10 0 ADAERN C/C(C(=O)[O-])=C1\CC[N@@H+](C)C[C@H]1C 306679859 345541778 /nfs/dbraw/zinc/54/17/78/345541778.db2.gz JBNAKJNFBPDZMQ-HPWUZBQLSA-N 0 0 183.251 1.359 10 0 ADAERN C[C@H](Nc1ncncc1N)C(F)F 306679438 345541798 /nfs/dbraw/zinc/54/17/98/345541798.db2.gz HRAOOFWBEQZOHF-BYPYZUCNSA-N 0 0 188.181 1.124 10 0 ADAERN CCN(c1ccc(N)nn1)C(C)(C)C 306679586 345541843 /nfs/dbraw/zinc/54/18/43/345541843.db2.gz IQERWGFAVMILPW-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN C/C(C(=O)[O-])=C1\CC[N@@H+](C)C[C@@H]1C 306679860 345541845 /nfs/dbraw/zinc/54/18/45/345541845.db2.gz JBNAKJNFBPDZMQ-RDONPILCSA-N 0 0 183.251 1.359 10 0 ADAERN Cn1ncnc1[C@@H](O)CC(C)(C)C 306679590 345541856 /nfs/dbraw/zinc/54/18/56/345541856.db2.gz IQNMYOIPAYEUNW-ZETCQYMHSA-N 0 0 183.255 1.285 10 0 ADAERN NC1=NC(=O)N[C@]12CC1CCC2CC1 306680871 345542147 /nfs/dbraw/zinc/54/21/47/345542147.db2.gz MKPXOEFMUAMFFI-QIMWKCOFSA-N 0 0 193.250 1.016 10 0 ADAERN CN(C(N)=S)[C@@H]1CC2CCC1CC2 306680450 345542208 /nfs/dbraw/zinc/54/22/08/345542208.db2.gz KVLDMFOKJNGKPW-AMDVSUOASA-N 0 0 198.335 1.741 10 0 ADAERN CN(C(N)=S)[C@H]1CC2CCC1CC2 306680451 345542320 /nfs/dbraw/zinc/54/23/20/345542320.db2.gz KVLDMFOKJNGKPW-HACHORDNSA-N 0 0 198.335 1.741 10 0 ADAERN CCN(c1cnc(N)cn1)C(C)(C)C 306680486 345542393 /nfs/dbraw/zinc/54/23/93/345542393.db2.gz LBMQKXQPBQFTGG-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN Cn1cnnc1[C@@H]1CCCC1(F)F 306680602 345542440 /nfs/dbraw/zinc/54/24/40/345542440.db2.gz LMVVOZJMLRXSPH-LURJTMIESA-N 0 0 187.193 1.718 10 0 ADAERN Cn1cnnc1[C@H]1CCCC1(F)F 306680603 345542469 /nfs/dbraw/zinc/54/24/69/345542469.db2.gz LMVVOZJMLRXSPH-ZCFIWIBFSA-N 0 0 187.193 1.718 10 0 ADAERN NC1=NC(=O)N[C@@]12CC1CCC2CC1 306680870 345542474 /nfs/dbraw/zinc/54/24/74/345542474.db2.gz MKPXOEFMUAMFFI-HNQUHTCLSA-N 0 0 193.250 1.016 10 0 ADAERN Cc1coc(N[C@@H]2C=C[C@H](CO)C2)n1 306680246 345542510 /nfs/dbraw/zinc/54/25/10/345542510.db2.gz KCLJYFBOWDCKRV-DTWKUNHWSA-N 0 0 194.234 1.332 10 0 ADAERN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CCS1 306681232 345542790 /nfs/dbraw/zinc/54/27/90/345542790.db2.gz NJPMEXLAKKBRCC-HRDYMLBCSA-N 0 0 199.319 1.606 10 0 ADAERN C[C@H]1OCC[C@@]1(O)c1cscn1 306681368 345542814 /nfs/dbraw/zinc/54/28/14/345542814.db2.gz NXJTYQMVEJEMLA-SVRRBLITSA-N 0 0 185.248 1.140 10 0 ADAERN CN(C(N)=O)[C@@H]1CC2CCC1CC2 306681307 345542823 /nfs/dbraw/zinc/54/28/23/345542823.db2.gz NSTDTFNFERNVNM-AMDVSUOASA-N 0 0 182.267 1.576 10 0 ADAERN CN(C(N)=O)[C@H]1CC2CCC1CC2 306681308 345542842 /nfs/dbraw/zinc/54/28/42/345542842.db2.gz NSTDTFNFERNVNM-HACHORDNSA-N 0 0 182.267 1.576 10 0 ADAERN C[C@@H]1OCC[C@]1(O)c1cscn1 306681367 345542894 /nfs/dbraw/zinc/54/28/94/345542894.db2.gz NXJTYQMVEJEMLA-POYBYMJQSA-N 0 0 185.248 1.140 10 0 ADAERN CC1(O)CN(c2cccc(Cl)n2)C1 306681267 345542963 /nfs/dbraw/zinc/54/29/63/345542963.db2.gz NOOGTBVIIKWPJU-UHFFFAOYSA-N 0 0 198.653 1.306 10 0 ADAERN C[C@H]1OCC[C@]1(O)c1cscn1 306681366 345543031 /nfs/dbraw/zinc/54/30/31/345543031.db2.gz NXJTYQMVEJEMLA-HTRCEHHLSA-N 0 0 185.248 1.140 10 0 ADAERN Cc1[nH]c(CO)nc1-c1ccsc1 306681269 345543041 /nfs/dbraw/zinc/54/30/41/345543041.db2.gz NOZNJLYONXFFBD-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN C[C@@H]1OCC[C@@]1(O)c1cscn1 306681369 345543058 /nfs/dbraw/zinc/54/30/58/345543058.db2.gz NXJTYQMVEJEMLA-XPUUQOCRSA-N 0 0 185.248 1.140 10 0 ADAERN CN(c1nccc(C[NH3+])n1)C(C)(C)C 306681231 345543079 /nfs/dbraw/zinc/54/30/79/345543079.db2.gz NJJVQAXDAAZQSK-UHFFFAOYSA-N 0 0 194.282 1.170 10 0 ADAERN CN(c1ccc(N)c(N)[nH+]1)C(C)(C)C 306681238 345543104 /nfs/dbraw/zinc/54/31/04/345543104.db2.gz NKCZBMRYIQHASV-UHFFFAOYSA-N 0 0 194.282 1.481 10 0 ADAERN Nc1cc2c(nn1)C1CCC2CC1 306682148 345543368 /nfs/dbraw/zinc/54/33/68/345543368.db2.gz QHJPIRZZTVNSNU-UHFFFAOYSA-N 0 0 175.235 1.814 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1ccsn1 306682392 345543706 /nfs/dbraw/zinc/54/37/06/345543706.db2.gz RAEHKXMLEXVOTD-NTSWFWBYSA-N 0 0 167.233 1.982 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1ccsn1 306682393 345543850 /nfs/dbraw/zinc/54/38/50/345543850.db2.gz RAEHKXMLEXVOTD-PHDIDXHHSA-N 0 0 167.233 1.982 10 0 ADAERN CC(C)[C@@H](NN)C(C)(F)F 306682555 345543948 /nfs/dbraw/zinc/54/39/48/345543948.db2.gz RPQRRQBTQDTPJL-RXMQYKEDSA-N 0 0 152.188 1.130 10 0 ADAERN CSC[C@@H](O)c1cc(C)ns1 306682389 345544048 /nfs/dbraw/zinc/54/40/48/345544048.db2.gz QZQFFNZUBXLESO-ZCFIWIBFSA-N 0 0 189.305 1.848 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C(C)(Cl)Cl 306682847 345544067 /nfs/dbraw/zinc/54/40/67/345544067.db2.gz SRYFMBRWGXZZKD-RFZPGFLSSA-N 0 0 196.077 1.705 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1ccsn1 306682395 345544070 /nfs/dbraw/zinc/54/40/70/345544070.db2.gz RAEHKXMLEXVOTD-WDSKDSINSA-N 0 0 167.233 1.982 10 0 ADAERN CSC[C@H](O)c1cc(C)ns1 306682388 345544073 /nfs/dbraw/zinc/54/40/73/345544073.db2.gz QZQFFNZUBXLESO-LURJTMIESA-N 0 0 189.305 1.848 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1ccsn1 306682394 345544083 /nfs/dbraw/zinc/54/40/83/345544083.db2.gz RAEHKXMLEXVOTD-RITPCOANSA-N 0 0 167.233 1.982 10 0 ADAERN CN(C=O)[C@@H]1CC2CCC1CC2 306683080 345544323 /nfs/dbraw/zinc/54/43/23/345544323.db2.gz UOWVVHGZNHYUJS-UDNWOFFPSA-N 0 0 167.252 1.653 10 0 ADAERN CN(c1nccnc1N)C(C)(C)C 306683185 345544436 /nfs/dbraw/zinc/54/44/36/345544436.db2.gz UVMXSXUXSSOXPS-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)c1ccsn1 306683149 345544446 /nfs/dbraw/zinc/54/44/46/345544446.db2.gz USKUCVLQHCFXQE-ATRFCDNQSA-N 0 0 169.249 1.833 10 0 ADAERN C[N@H+]([C@H]1CC[C@H]1C(=O)[O-])C(C)(C)C 306683173 345544504 /nfs/dbraw/zinc/54/45/04/345544504.db2.gz UUWZYXKENPZKCM-SFYZADRCSA-N 0 0 185.267 1.580 10 0 ADAERN Cc1ccc(N)c(N2CC(C)(O)C2)c1 306683323 345544543 /nfs/dbraw/zinc/54/45/43/345544543.db2.gz VLNXVXUGNBQWAI-UHFFFAOYSA-N 0 0 192.262 1.148 10 0 ADAERN CN(C=O)[C@H]1CC2CCC1CC2 306683079 345544576 /nfs/dbraw/zinc/54/45/76/345544576.db2.gz UOWVVHGZNHYUJS-RTBKNWGFSA-N 0 0 167.252 1.653 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1ccsn1 306683150 345544583 /nfs/dbraw/zinc/54/45/83/345544583.db2.gz USKUCVLQHCFXQE-CHKWXVPMSA-N 0 0 169.249 1.833 10 0 ADAERN C[N@H+]([C@H]1CC[C@@H]1C(=O)[O-])C(C)(C)C 306683174 345544640 /nfs/dbraw/zinc/54/46/40/345544640.db2.gz UUWZYXKENPZKCM-YUMQZZPRSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1ccsn1 306683152 345544678 /nfs/dbraw/zinc/54/46/78/345544678.db2.gz USKUCVLQHCFXQE-JKMUOGBPSA-N 0 0 169.249 1.833 10 0 ADAERN C[N@H+]([C@@H]1CC[C@H]1C(=O)[O-])C(C)(C)C 306683171 345544682 /nfs/dbraw/zinc/54/46/82/345544682.db2.gz UUWZYXKENPZKCM-HTQZYQBOSA-N 0 0 185.267 1.580 10 0 ADAERN CN(c1cnccc1CO)C(C)(C)C 306683017 345544687 /nfs/dbraw/zinc/54/46/87/345544687.db2.gz UHOSBXBEGMIDGH-UHFFFAOYSA-N 0 0 194.278 1.809 10 0 ADAERN Cc1cc([C@H](NN)C2CC2)sn1 306683025 345544690 /nfs/dbraw/zinc/54/46/90/345544690.db2.gz UIIYXSZUTMDIDZ-MRVPVSSYSA-N 0 0 183.280 1.366 10 0 ADAERN Cc1cc([C@@H](NN)C2CC2)sn1 306683026 345544720 /nfs/dbraw/zinc/54/47/20/345544720.db2.gz UIIYXSZUTMDIDZ-QMMMGPOBSA-N 0 0 183.280 1.366 10 0 ADAERN C[N@H+]([C@@H]1CC[C@@H]1C(=O)[O-])C(C)(C)C 306683172 345544722 /nfs/dbraw/zinc/54/47/22/345544722.db2.gz UUWZYXKENPZKCM-JGVFFNPUSA-N 0 0 185.267 1.580 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)c1ccsn1 306683151 345544777 /nfs/dbraw/zinc/54/47/77/345544777.db2.gz USKUCVLQHCFXQE-GKROBHDKSA-N 0 0 169.249 1.833 10 0 ADAERN O=C(N[C@@H]1CC[C@H](F)C1)C1CCC1 306683604 345544977 /nfs/dbraw/zinc/54/49/77/345544977.db2.gz WNMVVRQHQKDCON-DTWKUNHWSA-N 0 0 185.242 1.793 10 0 ADAERN O=C(N[C@H]1CC[C@H](F)C1)C1CCC1 306683605 345544986 /nfs/dbraw/zinc/54/49/86/345544986.db2.gz WNMVVRQHQKDCON-IUCAKERBSA-N 0 0 185.242 1.793 10 0 ADAERN CCN(C)C(=O)Nc1cnoc1C 306683569 345544996 /nfs/dbraw/zinc/54/49/96/345544996.db2.gz WIYGZKLHSMWLTL-UHFFFAOYSA-N 0 0 183.211 1.467 10 0 ADAERN Cc1sc(N(C)C)nc1[C@@H](C)O 306683514 345545055 /nfs/dbraw/zinc/54/50/55/345545055.db2.gz WBBDNHXJRBVIKD-RXMQYKEDSA-N 0 0 186.280 1.571 10 0 ADAERN CC[C@@]1(c2ccsc2)CNC(=O)C1 306683531 345545091 /nfs/dbraw/zinc/54/50/91/345545091.db2.gz WDLMHBKGVCWXDC-JTQLQIEISA-N 0 0 195.287 1.916 10 0 ADAERN CN(c1ncc(F)c(N)n1)C(C)(C)C 306683488 345545095 /nfs/dbraw/zinc/54/50/95/345545095.db2.gz VXMMYQOBUSLVAY-UHFFFAOYSA-N 0 0 198.245 1.433 10 0 ADAERN CC[C@]1(c2ccsc2)CNC(=O)C1 306683532 345545136 /nfs/dbraw/zinc/54/51/36/345545136.db2.gz WDLMHBKGVCWXDC-SNVBAGLBSA-N 0 0 195.287 1.916 10 0 ADAERN Cc1sc(N(C)C)nc1[C@H](C)O 306683515 345545169 /nfs/dbraw/zinc/54/51/69/345545169.db2.gz WBBDNHXJRBVIKD-YFKPBYRVSA-N 0 0 186.280 1.571 10 0 ADAERN O=C(N[C@@H]1CC[C@@H](F)C1)C1CCC1 306683606 345545177 /nfs/dbraw/zinc/54/51/77/345545177.db2.gz WNMVVRQHQKDCON-RKDXNWHRSA-N 0 0 185.242 1.793 10 0 ADAERN CN(Cc1ccoc1)c1ncns1 306683801 345545197 /nfs/dbraw/zinc/54/51/97/345545197.db2.gz XPDNAOAMQWHKPI-UHFFFAOYSA-N 0 0 195.247 1.768 10 0 ADAERN Nc1ccc(Cl)cc1N1CC(O)C1 306683951 345545291 /nfs/dbraw/zinc/54/52/91/345545291.db2.gz YCLMTRBLAWYJDQ-UHFFFAOYSA-N 0 0 198.653 1.103 10 0 ADAERN O=C(NC1CCC(F)CC1)C1CC1 306684297 345545614 /nfs/dbraw/zinc/54/56/14/345545614.db2.gz ZLPRAKGHESGMKJ-UHFFFAOYSA-N 0 0 185.242 1.793 10 0 ADAERN CN(c1nc(N)ns1)C(C)(C)C 306684296 345545616 /nfs/dbraw/zinc/54/56/16/345545616.db2.gz ZLPPSXUGBFYSHJ-UHFFFAOYSA-N 0 0 186.284 1.355 10 0 ADAERN COc1ncc(NCC(C)(C)C)cn1 306684196 345545653 /nfs/dbraw/zinc/54/56/53/345545653.db2.gz YXWFQNGQMAIBJH-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN Cc1nnc(N)nc1-c1ccsc1 306684412 345545755 /nfs/dbraw/zinc/54/57/55/345545755.db2.gz ZXSGORYAGRAPNS-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN COCc1nsc(N[C@H]2C[C@@H]2C)n1 306685374 345546299 /nfs/dbraw/zinc/54/62/99/345546299.db2.gz DXUHITNMVMPIQU-WDSKDSINSA-N 0 0 199.279 1.505 10 0 ADAERN Cc1nc(C)c(NC(N)=O)s1 306684844 345546327 /nfs/dbraw/zinc/54/63/27/345546327.db2.gz BRFWPIYNONDMIV-UHFFFAOYSA-N 0 0 171.225 1.251 10 0 ADAERN COCc1nsc(N[C@@H]2C[C@@H]2C)n1 306685372 345546400 /nfs/dbraw/zinc/54/64/00/345546400.db2.gz DXUHITNMVMPIQU-NTSWFWBYSA-N 0 0 199.279 1.505 10 0 ADAERN COCc1nsc(N[C@H]2C[C@H]2C)n1 306685373 345546431 /nfs/dbraw/zinc/54/64/31/345546431.db2.gz DXUHITNMVMPIQU-RITPCOANSA-N 0 0 199.279 1.505 10 0 ADAERN NC(=O)N1CCc2cccc(Cl)c21 306684826 345546506 /nfs/dbraw/zinc/54/65/06/345546506.db2.gz BQNQTYOMDJHFTG-UHFFFAOYSA-N 0 0 196.637 1.781 10 0 ADAERN CC[C@@H]1CCN1C(=O)NC(C)(C)C 306685346 345546520 /nfs/dbraw/zinc/54/65/20/345546520.db2.gz DTPWYJCEPULXCQ-MRVPVSSYSA-N 0 0 184.283 1.979 10 0 ADAERN Cc1cnn(C)c1[C@@H](O)C1(C)CC1 306686138 345546853 /nfs/dbraw/zinc/54/68/53/345546853.db2.gz JXPDMSHBSGYGHA-SECBINFHSA-N 0 0 180.251 1.562 10 0 ADAERN CC1(NC(N)=O)CCC(F)(F)CC1 306686470 345546947 /nfs/dbraw/zinc/54/69/47/345546947.db2.gz GJGMZHXGKWWTHE-UHFFFAOYSA-N 0 0 192.209 1.623 10 0 ADAERN Cc1cnn(C)c1[C@H](O)C1(C)CC1 306686140 345547011 /nfs/dbraw/zinc/54/70/11/345547011.db2.gz JXPDMSHBSGYGHA-VIFPVBQESA-N 0 0 180.251 1.562 10 0 ADAERN CCNC(=O)[C@H](C)c1ccco1 306687235 345547470 /nfs/dbraw/zinc/54/74/70/345547470.db2.gz HJWDYEPDQFFYGX-SSDOTTSWSA-N 0 0 167.208 1.519 10 0 ADAERN CNC(=O)c1sccc1COC 306686855 345547510 /nfs/dbraw/zinc/54/75/10/345547510.db2.gz GUYCDIXBZFTZAW-UHFFFAOYSA-N 0 0 185.248 1.254 10 0 ADAERN CCNC(=O)[C@@H](C)c1ccco1 306687236 345547537 /nfs/dbraw/zinc/54/75/37/345547537.db2.gz HJWDYEPDQFFYGX-ZETCQYMHSA-N 0 0 167.208 1.519 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1cnoc1 306686857 345547561 /nfs/dbraw/zinc/54/75/61/345547561.db2.gz GVAZYMIMXNAPND-POYBYMJQSA-N 0 0 180.207 1.203 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1cnoc1 306686858 345547565 /nfs/dbraw/zinc/54/75/65/345547565.db2.gz GVAZYMIMXNAPND-SVRRBLITSA-N 0 0 180.207 1.203 10 0 ADAERN FC(F)(F)c1noc([C@H]2CCN2)n1 306687509 345547605 /nfs/dbraw/zinc/54/76/05/345547605.db2.gz LNGOWMIIYLIQGF-GSVOUGTGSA-N 0 0 193.128 1.123 10 0 ADAERN CNc1ccc(C(=O)NOC)s1 306686872 345547609 /nfs/dbraw/zinc/54/76/09/345547609.db2.gz GWQMYLGXUDDZGW-UHFFFAOYSA-N 0 0 186.236 1.081 10 0 ADAERN FC(F)(F)c1noc([C@@H]2CCN2)n1 306687510 345547630 /nfs/dbraw/zinc/54/76/30/345547630.db2.gz LNGOWMIIYLIQGF-VKHMYHEASA-N 0 0 193.128 1.123 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)c1cnoc1 306686856 345547649 /nfs/dbraw/zinc/54/76/49/345547649.db2.gz GVAZYMIMXNAPND-HTRCEHHLSA-N 0 0 180.207 1.203 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1cnoc1 306686859 345547715 /nfs/dbraw/zinc/54/77/15/345547715.db2.gz GVAZYMIMXNAPND-XPUUQOCRSA-N 0 0 180.207 1.203 10 0 ADAERN c1cc(NCc2cncs2)n[nH]1 306687617 345547977 /nfs/dbraw/zinc/54/79/77/345547977.db2.gz HVMGWJKOCLJWAA-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1cnns1 306687783 345547988 /nfs/dbraw/zinc/54/79/88/345547988.db2.gz IBJHZABBKMBLQE-WDSKDSINSA-N 0 0 197.263 1.066 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCCS1 306688843 345548071 /nfs/dbraw/zinc/54/80/71/345548071.db2.gz JZDGGRXZTVJXKO-IWSPIJDZSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCCS1 306688852 345548167 /nfs/dbraw/zinc/54/81/67/345548167.db2.gz JZDGGRXZTVJXKO-VGMNWLOBSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCCS1 306688834 345548170 /nfs/dbraw/zinc/54/81/70/345548170.db2.gz JZDGGRXZTVJXKO-HRDYMLBCSA-N 0 0 199.319 1.797 10 0 ADAERN CC1(NC(=O)c2cnoc2)CCC1 306689139 345548175 /nfs/dbraw/zinc/54/81/75/345548175.db2.gz KJJPCDSQZBBBTQ-UHFFFAOYSA-N 0 0 180.207 1.347 10 0 ADAERN C[C@@H]([C@@H](O)c1cn(C)nn1)C(C)(C)C 306689349 345548191 /nfs/dbraw/zinc/54/81/91/345548191.db2.gz NZJUQGWHNBTLIG-IONNQARKSA-N 0 0 197.282 1.531 10 0 ADAERN CN(C)C(=O)Nc1ccc(F)nc1 306688577 345548208 /nfs/dbraw/zinc/54/82/08/345548208.db2.gz JQNAZYICASRCKS-UHFFFAOYSA-N 0 0 183.186 1.314 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)N(C)C 306688514 345548215 /nfs/dbraw/zinc/54/82/15/345548215.db2.gz JJGSDVYEYSFRTO-BQBZGAKWSA-N 0 0 156.229 1.151 10 0 ADAERN C[C@@H]([C@H](O)c1cn(C)nn1)C(C)(C)C 306689295 345548217 /nfs/dbraw/zinc/54/82/17/345548217.db2.gz NZJUQGWHNBTLIG-CBAPKCEASA-N 0 0 197.282 1.531 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)N(C)C 306688515 345548226 /nfs/dbraw/zinc/54/82/26/345548226.db2.gz JJGSDVYEYSFRTO-KNVOCYPGSA-N 0 0 156.229 1.151 10 0 ADAERN C[C@H]([C@H](O)c1cn(C)nn1)C(C)(C)C 306689294 345548232 /nfs/dbraw/zinc/54/82/32/345548232.db2.gz NZJUQGWHNBTLIG-APPZFPTMSA-N 0 0 197.282 1.531 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCCS1 306688833 345548363 /nfs/dbraw/zinc/54/83/63/345548363.db2.gz JZDGGRXZTVJXKO-HLTSFMKQSA-N 0 0 199.319 1.797 10 0 ADAERN CC(C)(n1cc[nH]c1=O)C(F)(F)F 306689797 345548717 /nfs/dbraw/zinc/54/87/17/345548717.db2.gz OSJIXIRLABBICK-UHFFFAOYSA-N 0 0 194.156 1.474 10 0 ADAERN CC(C)C(=O)N[C@@H]1[C@H]2CCC[C@H]21 306689612 345548757 /nfs/dbraw/zinc/54/87/57/345548757.db2.gz LDSJVELIQOKQPU-BRPSZJMVSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H]([C@@H](O)c1cn(C)nn1)C(C)(C)C 306689350 345549065 /nfs/dbraw/zinc/54/90/65/345549065.db2.gz NZJUQGWHNBTLIG-VXNVDRBHSA-N 0 0 197.282 1.531 10 0 ADAERN CC(C)C(=O)N[C@H]1[C@H]2CCC[C@H]21 306689610 345549095 /nfs/dbraw/zinc/54/90/95/345549095.db2.gz LDSJVELIQOKQPU-AYMMMOKOSA-N 0 0 167.252 1.557 10 0 ADAERN O[C@H](c1ccc[nH]1)C1(O)CCCC1 306691189 345549554 /nfs/dbraw/zinc/54/95/54/345549554.db2.gz QBXGRAAPNAFQGK-SECBINFHSA-N 0 0 181.235 1.353 10 0 ADAERN O=C(Nc1ncc[nH]1)C1(F)CCC1 306691028 345549580 /nfs/dbraw/zinc/54/95/80/345549580.db2.gz NEXJGRIDCSTBPO-UHFFFAOYSA-N 0 0 183.186 1.240 10 0 ADAERN O[C@@H](c1ccc[nH]1)C1(O)CCCC1 306691190 345549594 /nfs/dbraw/zinc/54/95/94/345549594.db2.gz QBXGRAAPNAFQGK-VIFPVBQESA-N 0 0 181.235 1.353 10 0 ADAERN NC1=NC(=O)OC1(C1CC1)C1CC1 306691368 345549946 /nfs/dbraw/zinc/54/99/46/345549946.db2.gz NTKUCLLYVXRONE-UHFFFAOYSA-N 0 0 180.207 1.053 10 0 ADAERN CCC(=O)c1c[nH]nc1CC 306691781 345549951 /nfs/dbraw/zinc/54/99/51/345549951.db2.gz QQFFCNZFOXPDOM-UHFFFAOYSA-N 0 0 152.197 1.565 10 0 ADAERN C[C@H](NC#N)C(C)(F)F 306691458 345550069 /nfs/dbraw/zinc/55/00/69/345550069.db2.gz QHELZBUEXDGUAD-BYPYZUCNSA-N 0 0 134.129 1.101 10 0 ADAERN Cc1cc(C(=O)N2CC(C)C2)ns1 306692045 345550090 /nfs/dbraw/zinc/55/00/90/345550090.db2.gz RDNOCOUWHCGTOO-UHFFFAOYSA-N 0 0 196.275 1.543 10 0 ADAERN CC(C)=CC(=O)Nc1cc(Cl)[nH]n1 306691636 345550093 /nfs/dbraw/zinc/55/00/93/345550093.db2.gz OGWMAGYJCXBQTQ-UHFFFAOYSA-N 0 0 199.641 1.968 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)ns1 306692062 345550117 /nfs/dbraw/zinc/55/01/17/345550117.db2.gz OUHSVOWZPHCJCF-CAHLUQPWSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)ns1 306692063 345550178 /nfs/dbraw/zinc/55/01/78/345550178.db2.gz OUHSVOWZPHCJCF-FSPLSTOPSA-N 0 0 196.275 1.590 10 0 ADAERN C[C@@H](NC#N)C(C)(F)F 306691459 345550186 /nfs/dbraw/zinc/55/01/86/345550186.db2.gz QHELZBUEXDGUAD-SCSAIBSYSA-N 0 0 134.129 1.101 10 0 ADAERN Cc1ccc([C@@H](C)N2CCOCC2)o1 306691519 345550212 /nfs/dbraw/zinc/55/02/12/345550212.db2.gz QLGRFHDOFHHBHY-SNVBAGLBSA-N 0 0 195.262 1.981 10 0 ADAERN O=C(NCC(F)F)Nc1cocn1 306692295 345550402 /nfs/dbraw/zinc/55/04/02/345550402.db2.gz PJKRYJDJNGBGQQ-UHFFFAOYSA-N 0 0 191.137 1.061 10 0 ADAERN CCn1ncc2c(=O)cc(C)[nH]c21 306692431 345550427 /nfs/dbraw/zinc/55/04/27/345550427.db2.gz PTLLTDZCLIKULX-UHFFFAOYSA-N 0 0 177.207 1.465 10 0 ADAERN FCCn1ccc(Br)n1 306692334 345550531 /nfs/dbraw/zinc/55/05/31/345550531.db2.gz PPODKZKVEXATRM-UHFFFAOYSA-N 0 0 193.019 1.615 10 0 ADAERN CNc1nc(-c2cnon2)cs1 306692875 345550638 /nfs/dbraw/zinc/55/06/38/345550638.db2.gz QJWAETPTOYIDIL-UHFFFAOYSA-N 0 0 182.208 1.235 10 0 ADAERN C[C@H]1C[C@H](O)CN(C(=O)C(C)(C)C)C1 306693220 345551196 /nfs/dbraw/zinc/55/11/96/345551196.db2.gz SSRPXYFWIBDMKX-IUCAKERBSA-N 0 0 199.294 1.262 10 0 ADAERN Cc1ncc(NCc2ncc[nH]2)s1 306693483 345551294 /nfs/dbraw/zinc/55/12/94/345551294.db2.gz RJTFCOSMVQINDV-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN C[C@H]1C[NH2+]C[C@](C(=O)[O-])(C2CC2)C1 306693043 345551038 /nfs/dbraw/zinc/55/10/38/345551038.db2.gz SNGGDCUGVAWTCX-XCBNKYQSSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@H]1C[NH2+]C[C@@](C(=O)[O-])(C2CC2)C1 306693041 345551066 /nfs/dbraw/zinc/55/10/66/345551066.db2.gz SNGGDCUGVAWTCX-GMSGAONNSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@H]1C[NH2+]C[C@@](C(=O)[O-])(C2CC2)C1 306693042 345551233 /nfs/dbraw/zinc/55/12/33/345551233.db2.gz SNGGDCUGVAWTCX-OIBJUYFYSA-N 0 0 183.251 1.097 10 0 ADAERN O=C(c1cn[nH]c1)c1ccoc1 306693137 345551268 /nfs/dbraw/zinc/55/12/68/345551268.db2.gz QVMOVFWPILRYAO-UHFFFAOYSA-N 0 0 162.148 1.234 10 0 ADAERN C[C@@H]1C[NH2+]C[C@](C(=O)[O-])(C2CC2)C1 306693044 345551290 /nfs/dbraw/zinc/55/12/90/345551290.db2.gz SNGGDCUGVAWTCX-XVKPBYJWSA-N 0 0 183.251 1.097 10 0 ADAERN CONC(=O)c1[nH]c(C)c(C)c1C 306693931 345551518 /nfs/dbraw/zinc/55/15/18/345551518.db2.gz RXTFWVNHQRUUKD-UHFFFAOYSA-N 0 0 182.223 1.231 10 0 ADAERN Cc1cc(Cl)c(C(=O)N2CC2)cn1 306694794 345551549 /nfs/dbraw/zinc/55/15/49/345551549.db2.gz UCMFXEFQPRMIBZ-UHFFFAOYSA-N 0 0 196.637 1.499 10 0 ADAERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C)on1 306694596 345551570 /nfs/dbraw/zinc/55/15/70/345551570.db2.gz SZRGOSJPJYQOTI-CAHLUQPWSA-N 0 0 180.207 1.578 10 0 ADAERN Cc1cc(NC(=O)[C@H]2C[C@H]2C)on1 306694599 345551597 /nfs/dbraw/zinc/55/15/97/345551597.db2.gz SZRGOSJPJYQOTI-VDTYLAMSSA-N 0 0 180.207 1.578 10 0 ADAERN O=C1CSC(N2C3CCC2CC3)=N1 306694650 345551845 /nfs/dbraw/zinc/55/18/45/345551845.db2.gz UYAPZJBCHWUHCA-UHFFFAOYSA-N 0 0 196.275 1.980 10 0 ADAERN Nc1cc(N2C3CCC2CC3)sn1 306694242 345551879 /nfs/dbraw/zinc/55/18/79/345551879.db2.gz UPMIOFSIJSGOFE-UHFFFAOYSA-N 0 0 195.291 1.857 10 0 ADAERN CC(=O)C(=O)NC1(C)CCCC1 306695100 345552241 /nfs/dbraw/zinc/55/22/41/345552241.db2.gz UKYPJVGPVDSODB-UHFFFAOYSA-N 0 0 169.224 1.024 10 0 ADAERN Cc1coc(N[C@H]2C[C@H]2C)n1 306694938 345552309 /nfs/dbraw/zinc/55/23/09/345552309.db2.gz UGRHRRYKIGSDDO-VDTYLAMSSA-N 0 0 152.197 1.803 10 0 ADAERN c1ncc(CNc2cnsn2)s1 306695757 345552359 /nfs/dbraw/zinc/55/23/59/345552359.db2.gz VMYJAZXUSFFUPD-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN Cc1coc(N[C@@H]2C[C@H]2C)n1 306694936 345552407 /nfs/dbraw/zinc/55/24/07/345552407.db2.gz UGRHRRYKIGSDDO-IYSWYEEDSA-N 0 0 152.197 1.803 10 0 ADAERN Cc1nc(NCC2(C)CC2)nn1C 306695179 345552508 /nfs/dbraw/zinc/55/25/08/345552508.db2.gz UTPLMVXWPDGALQ-UHFFFAOYSA-N 0 0 180.255 1.336 10 0 ADAERN Cc1nccc(N[C@@H](C)C(F)F)n1 306695873 345552713 /nfs/dbraw/zinc/55/27/13/345552713.db2.gz WQEWQQJKSFSIBM-YFKPBYRVSA-N 0 0 187.193 1.851 10 0 ADAERN Cc1nccc(N[C@H](C)C(F)F)n1 306695872 345552720 /nfs/dbraw/zinc/55/27/20/345552720.db2.gz WQEWQQJKSFSIBM-RXMQYKEDSA-N 0 0 187.193 1.851 10 0 ADAERN Nc1nccnc1S[C@H]1CCCO1 306696173 345552733 /nfs/dbraw/zinc/55/27/33/345552733.db2.gz WCOBLSHJVKANOM-LURJTMIESA-N 0 0 197.263 1.287 10 0 ADAERN CNC(=O)c1c(N)ccc(F)c1C 306696286 345552889 /nfs/dbraw/zinc/55/28/89/345552889.db2.gz XCSYMBLGHZCQQF-UHFFFAOYSA-N 0 0 182.198 1.076 10 0 ADAERN Nc1nccnc1S[C@@H]1CCCO1 306696174 345552938 /nfs/dbraw/zinc/55/29/38/345552938.db2.gz WCOBLSHJVKANOM-ZCFIWIBFSA-N 0 0 197.263 1.287 10 0 ADAERN CCc1c[nH]c(N(C)C)n1 306697057 345553245 /nfs/dbraw/zinc/55/32/45/345553245.db2.gz YPYYOYMYYNDEAH-UHFFFAOYSA-N 0 0 139.202 1.038 10 0 ADAERN Nc1nsc(N2C3CCC2CC3)n1 306697516 345553372 /nfs/dbraw/zinc/55/33/72/345553372.db2.gz ZOJPZFLMOXCDSP-UHFFFAOYSA-N 0 0 196.279 1.252 10 0 ADAERN Cc1nc(C)c(CN2CCC(=O)C2)o1 306698409 345553668 /nfs/dbraw/zinc/55/36/68/345553668.db2.gz CLQRJLJXDWDOQJ-UHFFFAOYSA-N 0 0 194.234 1.066 10 0 ADAERN C[C@@]1(c2noc(CN)n2)CCCS1 306698398 345553701 /nfs/dbraw/zinc/55/37/01/345553701.db2.gz CIOWSBWBHWEZEG-QMMMGPOBSA-N 0 0 199.279 1.271 10 0 ADAERN CC(=O)N[C@H]1CC[C@@H]1C1CC1 306697955 345553707 /nfs/dbraw/zinc/55/37/07/345553707.db2.gz XBOSTLOACFGEAE-BDAKNGLRSA-N 0 0 153.225 1.311 10 0 ADAERN CC(=O)N[C@@H]1CC[C@@H]1C1CC1 306697970 345553787 /nfs/dbraw/zinc/55/37/87/345553787.db2.gz XBOSTLOACFGEAE-RKDXNWHRSA-N 0 0 153.225 1.311 10 0 ADAERN CNC(=O)c1cccc(F)c1SC 306697949 345553841 /nfs/dbraw/zinc/55/38/41/345553841.db2.gz CDAWOZFVDUIZID-UHFFFAOYSA-N 0 0 199.250 1.907 10 0 ADAERN CC(C)[C@H](C)NC(=O)[C@@H]1CCOC1 306698038 345553847 /nfs/dbraw/zinc/55/38/47/345553847.db2.gz XEWMUFKDEBZDPC-DTWKUNHWSA-N 0 0 185.267 1.184 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H]1C1CC1 306697959 345553908 /nfs/dbraw/zinc/55/39/08/345553908.db2.gz XBOSTLOACFGEAE-DTWKUNHWSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@]1(c2noc(CN)n2)CCCS1 306698396 345553918 /nfs/dbraw/zinc/55/39/18/345553918.db2.gz CIOWSBWBHWEZEG-MRVPVSSYSA-N 0 0 199.279 1.271 10 0 ADAERN CC(=O)N[C@H]1CC[C@H]1C1CC1 306697964 345553952 /nfs/dbraw/zinc/55/39/52/345553952.db2.gz XBOSTLOACFGEAE-IUCAKERBSA-N 0 0 153.225 1.311 10 0 ADAERN CCc1nnc(-c2cc[nH]c2C)o1 306698903 345554253 /nfs/dbraw/zinc/55/42/53/345554253.db2.gz CZQIFUBNAYNJIX-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)c1cnns1 306699227 345554254 /nfs/dbraw/zinc/55/42/54/345554254.db2.gz XVAVSDKOAAOLKB-OLQVQODUSA-N 0 0 197.263 1.161 10 0 ADAERN CCOc1cncc(NC2CC2)n1 306698918 345554278 /nfs/dbraw/zinc/55/42/78/345554278.db2.gz DMWRHVLEBAMGNI-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN Cc1ccc(C(N)=O)c(Cl)c1F 306698549 345554282 /nfs/dbraw/zinc/55/42/82/345554282.db2.gz HHKDWNHENWEWBI-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN CNC(=O)Cc1ccc(C)s1 306699009 345554320 /nfs/dbraw/zinc/55/43/20/345554320.db2.gz DSRKNTYZCJUPIT-UHFFFAOYSA-N 0 0 169.249 1.345 10 0 ADAERN OCc1cnc(NC2CC2)s1 306698586 345554450 /nfs/dbraw/zinc/55/44/50/345554450.db2.gz HLMXELMQOIOHBI-UHFFFAOYSA-N 0 0 170.237 1.210 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)c1cnns1 306699229 345554466 /nfs/dbraw/zinc/55/44/66/345554466.db2.gz XVAVSDKOAAOLKB-WDSKDSINSA-N 0 0 197.263 1.161 10 0 ADAERN Oc1ccc(-c2ccsn2)nc1 306699887 345554733 /nfs/dbraw/zinc/55/47/33/345554733.db2.gz IUUPCUCHCZEMRR-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN COC1(CNN)CCCCCC1 306699737 345554753 /nfs/dbraw/zinc/55/47/53/345554753.db2.gz FDKOEIJLDDOVPJ-UHFFFAOYSA-N 0 0 172.272 1.189 10 0 ADAERN CCOC(=O)Nc1cnncc1C 306699688 345554770 /nfs/dbraw/zinc/55/47/70/345554770.db2.gz FCKCGODBEZNERP-UHFFFAOYSA-N 0 0 181.195 1.353 10 0 ADAERN COCc1nn(C)cc1NC(C)C 306699676 345554798 /nfs/dbraw/zinc/55/47/98/345554798.db2.gz DRVPULVQGZJXLD-UHFFFAOYSA-N 0 0 183.255 1.387 10 0 ADAERN COc1ccc(C)c(C(N)=O)c1C 306699741 345554832 /nfs/dbraw/zinc/55/48/32/345554832.db2.gz IOCPJSCMMFBGKB-UHFFFAOYSA-N 0 0 179.219 1.411 10 0 ADAERN CCOC(=O)Nc1ccnn1CC 306699778 345554913 /nfs/dbraw/zinc/55/49/13/345554913.db2.gz DUTRIQJVDMPNMT-UHFFFAOYSA-N 0 0 183.211 1.471 10 0 ADAERN CCN(C#N)[C@H](C)C1CC1 306700102 345554918 /nfs/dbraw/zinc/55/49/18/345554918.db2.gz FGRAOLWNQXSZNB-SSDOTTSWSA-N 0 0 138.214 1.588 10 0 ADAERN COc1c(C(N)=O)ccc(F)c1F 306699872 345554921 /nfs/dbraw/zinc/55/49/21/345554921.db2.gz ITMSLDKJBDSEMD-UHFFFAOYSA-N 0 0 187.145 1.072 10 0 ADAERN CCNC(=O)NC1CCC(F)CC1 306699900 345554954 /nfs/dbraw/zinc/55/49/54/345554954.db2.gz FJXDNAJYZIDWBU-UHFFFAOYSA-N 0 0 188.246 1.586 10 0 ADAERN CCN(C#N)[C@@H](C)C1CC1 306700103 345554991 /nfs/dbraw/zinc/55/49/91/345554991.db2.gz FGRAOLWNQXSZNB-ZETCQYMHSA-N 0 0 138.214 1.588 10 0 ADAERN Cc1nn(C)c(N)c1C1CC1 306700604 345555266 /nfs/dbraw/zinc/55/52/66/345555266.db2.gz FXELOIPGOPSJLP-UHFFFAOYSA-N 0 0 151.213 1.188 10 0 ADAERN CC1(C)[C@@H](O)CCN1CC(F)(F)F 306700450 345555387 /nfs/dbraw/zinc/55/53/87/345555387.db2.gz FSUUJGDNLZAGFH-LURJTMIESA-N 0 0 197.200 1.394 10 0 ADAERN CC[C@@H](C1CC1)N1CC(F)C1 306700842 345555388 /nfs/dbraw/zinc/55/53/88/345555388.db2.gz FWFZLNMMVSPFJW-VIFPVBQESA-N 0 0 157.232 1.829 10 0 ADAERN CC[C@H](C1CC1)N1CC(F)C1 306700837 345555468 /nfs/dbraw/zinc/55/54/68/345555468.db2.gz FWFZLNMMVSPFJW-SECBINFHSA-N 0 0 157.232 1.829 10 0 ADAERN FCCNc1cn2ccnc2cn1 306700296 345555503 /nfs/dbraw/zinc/55/55/03/345555503.db2.gz YKMWDFCQSDAGJJ-UHFFFAOYSA-N 0 0 180.186 1.111 10 0 ADAERN CC[C@@H]1CCN1Cn1cc(Cl)cn1 306701076 345555804 /nfs/dbraw/zinc/55/58/04/345555804.db2.gz GGZWVRMMWJYUBH-SECBINFHSA-N 0 0 199.685 1.978 10 0 ADAERN CC(C)[C@H](O)[C@H]1CCCC[C@H]1O 306701481 345555880 /nfs/dbraw/zinc/55/58/80/345555880.db2.gz ZCYYSEWHSGFBKE-AEJSXWLSSA-N 0 0 172.268 1.554 10 0 ADAERN CC[C@H]1CCN1Cn1cc(Cl)cn1 306701080 345556124 /nfs/dbraw/zinc/55/61/24/345556124.db2.gz GGZWVRMMWJYUBH-VIFPVBQESA-N 0 0 199.685 1.978 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]1C 306701048 345556143 /nfs/dbraw/zinc/55/61/43/345556143.db2.gz GATSAJACGNPBKF-SFYZADRCSA-N 0 0 178.235 1.461 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CCCC[C@H]1O 306701483 345556150 /nfs/dbraw/zinc/55/61/50/345556150.db2.gz ZCYYSEWHSGFBKE-BBBLOLIVSA-N 0 0 172.268 1.554 10 0 ADAERN Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H]1C 306701051 345556163 /nfs/dbraw/zinc/55/61/63/345556163.db2.gz GATSAJACGNPBKF-YUMQZZPRSA-N 0 0 178.235 1.461 10 0 ADAERN CCCC(=O)Nc1n[nH]cc1SC 306701161 345556183 /nfs/dbraw/zinc/55/61/83/345556183.db2.gz GMJXJHAUAUTMBD-UHFFFAOYSA-N 0 0 199.279 1.870 10 0 ADAERN CCc1ccc([C@@H]2NCC(=O)N2)s1 306702155 345556427 /nfs/dbraw/zinc/55/64/27/345556427.db2.gz HQXWAQTYPQBQGF-SECBINFHSA-N 0 0 196.275 1.029 10 0 ADAERN Cc1ncccc1CNn1cccc1 306702030 345556494 /nfs/dbraw/zinc/55/64/94/345556494.db2.gz HMKPVZQEUNTZGS-UHFFFAOYSA-N 0 0 187.246 1.935 10 0 ADAERN CCc1ccc([C@H]2NCC(=O)N2)s1 306702156 345556560 /nfs/dbraw/zinc/55/65/60/345556560.db2.gz HQXWAQTYPQBQGF-VIFPVBQESA-N 0 0 196.275 1.029 10 0 ADAERN CSC(C)(C)c1noc(CN)n1 306701708 345556592 /nfs/dbraw/zinc/55/65/92/345556592.db2.gz HCPAPOLOIKQLAY-UHFFFAOYSA-N 0 0 187.268 1.126 10 0 ADAERN CCC(=O)N(C)c1ncccc1F 306702278 345556638 /nfs/dbraw/zinc/55/66/38/345556638.db2.gz GLCUWGCXXVCUKZ-UHFFFAOYSA-N 0 0 182.198 1.594 10 0 ADAERN OC[C@H]1C[C@@H]1Nc1ncccc1F 306702740 345557096 /nfs/dbraw/zinc/55/70/96/345557096.db2.gz AKLISSVYBYZJDF-SVRRBLITSA-N 0 0 182.198 1.013 10 0 ADAERN OC[C@@H]1C[C@@H]1Nc1ncccc1F 306702742 345556972 /nfs/dbraw/zinc/55/69/72/345556972.db2.gz AKLISSVYBYZJDF-XPUUQOCRSA-N 0 0 182.198 1.013 10 0 ADAERN Cc1ccc(C(N)=O)c(C)c1F 306703050 345557001 /nfs/dbraw/zinc/55/70/01/345557001.db2.gz MNIBLQOQCSBABZ-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN CS[C@H](C)C(=O)N1[C@@H](C)C[C@@H]1C 306702357 345557010 /nfs/dbraw/zinc/55/70/10/345557010.db2.gz AABSINQDHDCVKQ-BIIVOSGPSA-N 0 0 187.308 1.747 10 0 ADAERN Cc1nn(C)c(N)c1-c1ccoc1 306702886 345557065 /nfs/dbraw/zinc/55/70/65/345557065.db2.gz IBHGXRFRRIWPND-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN O=C(c1ccsn1)c1cncs1 306702446 345557070 /nfs/dbraw/zinc/55/70/70/345557070.db2.gz ACBJAAQBMAVCKI-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN OC[C@H]1C[C@H]1Nc1ncccc1F 306702736 345557071 /nfs/dbraw/zinc/55/70/71/345557071.db2.gz AKLISSVYBYZJDF-HTRCEHHLSA-N 0 0 182.198 1.013 10 0 ADAERN Cc1cnccc1C1(O)CC1 306703160 345557102 /nfs/dbraw/zinc/55/71/02/345557102.db2.gz GNDSLKLPOLOTGY-UHFFFAOYSA-N 0 0 149.193 1.371 10 0 ADAERN CS[C@H](C)C(=O)N1[C@H](C)C[C@H]1C 306702367 345557103 /nfs/dbraw/zinc/55/71/03/345557103.db2.gz AABSINQDHDCVKQ-BWZBUEFSSA-N 0 0 187.308 1.747 10 0 ADAERN CS[C@H](C)C(=O)N1[C@@H](C)C[C@H]1C 306702377 345557117 /nfs/dbraw/zinc/55/71/17/345557117.db2.gz AABSINQDHDCVKQ-GJMOJQLCSA-N 0 0 187.308 1.747 10 0 ADAERN CS[C@@H](C)C(=O)N1[C@@H](C)C[C@H]1C 306702386 345557123 /nfs/dbraw/zinc/55/71/23/345557123.db2.gz AABSINQDHDCVKQ-RNJXMRFFSA-N 0 0 187.308 1.747 10 0 ADAERN COCc1nnc(-c2ccc[nH]2)o1 306702948 345557127 /nfs/dbraw/zinc/55/71/27/345557127.db2.gz IHKWGNLROLTETH-UHFFFAOYSA-N 0 0 179.179 1.211 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CCSC1 306703523 345557213 /nfs/dbraw/zinc/55/72/13/345557213.db2.gz AUPAASDJEGUNIG-HLTSFMKQSA-N 0 0 199.319 1.654 10 0 ADAERN CC[C@H]1CCC[C@H](N2C[C@H](O)CO2)C1 306703527 345557278 /nfs/dbraw/zinc/55/72/78/345557278.db2.gz IJIPAVUOSYLZQW-DCAQKATOSA-N 0 0 199.294 1.563 10 0 ADAERN CC(C)c1ncn([C@@H]2CCC(=O)C2)n1 306703650 345557311 /nfs/dbraw/zinc/55/73/11/345557311.db2.gz ITZXKHUJDJRCDJ-MRVPVSSYSA-N 0 0 193.250 1.696 10 0 ADAERN COC(C)(C)[C@@H](O)c1cn(C)nc1C 306703541 345557319 /nfs/dbraw/zinc/55/73/19/345557319.db2.gz IKWJHHPWLZMUMP-VIFPVBQESA-N 0 0 198.266 1.187 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCSC1 306703528 345557325 /nfs/dbraw/zinc/55/73/25/345557325.db2.gz AUPAASDJEGUNIG-HRDYMLBCSA-N 0 0 199.319 1.654 10 0 ADAERN Fc1cccc(-c2cn[nH]c2)n1 306703577 345557342 /nfs/dbraw/zinc/55/73/42/345557342.db2.gz AVXPLQMLLOKBIQ-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN CC[C@H]1CCC[C@@H](N2C[C@H](O)CO2)C1 306703526 345557382 /nfs/dbraw/zinc/55/73/82/345557382.db2.gz IJIPAVUOSYLZQW-AXFHLTTASA-N 0 0 199.294 1.563 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCSC1 306703539 345557385 /nfs/dbraw/zinc/55/73/85/345557385.db2.gz AUPAASDJEGUNIG-VGMNWLOBSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)[C@@H]1CCSC1 306703534 345557399 /nfs/dbraw/zinc/55/73/99/345557399.db2.gz AUPAASDJEGUNIG-IWSPIJDZSA-N 0 0 199.319 1.654 10 0 ADAERN COC(C)(C)[C@H](O)c1cn(C)nc1C 306703540 345557415 /nfs/dbraw/zinc/55/74/15/345557415.db2.gz IKWJHHPWLZMUMP-SECBINFHSA-N 0 0 198.266 1.187 10 0 ADAERN CC(C)c1ncn([C@H]2CCC(=O)C2)n1 306703651 345557432 /nfs/dbraw/zinc/55/74/32/345557432.db2.gz ITZXKHUJDJRCDJ-QMMMGPOBSA-N 0 0 193.250 1.696 10 0 ADAERN CONC(=O)c1ccoc1C1CC1 306703566 345557449 /nfs/dbraw/zinc/55/74/49/345557449.db2.gz IMMRZDKMNDXOPG-UHFFFAOYSA-N 0 0 181.191 1.448 10 0 ADAERN CC[C@@H]1CCC[C@H](N2C[C@H](O)CO2)C1 306703530 345557488 /nfs/dbraw/zinc/55/74/88/345557488.db2.gz IJIPAVUOSYLZQW-VWYCJHECSA-N 0 0 199.294 1.563 10 0 ADAERN CC[C@@H]1CCC[C@@H](N2C[C@H](O)CO2)C1 306703529 345557564 /nfs/dbraw/zinc/55/75/64/345557564.db2.gz IJIPAVUOSYLZQW-MXWKQRLJSA-N 0 0 199.294 1.563 10 0 ADAERN C[C@H](NC(=O)C1CC1)C(F)F 306703721 345557835 /nfs/dbraw/zinc/55/78/35/345557835.db2.gz MXVUCPLPNROHDC-BYPYZUCNSA-N 0 0 163.167 1.166 10 0 ADAERN CCCC(=N)NC(=O)c1ccco1 306704097 345557839 /nfs/dbraw/zinc/55/78/39/345557839.db2.gz JAVODARFWHJOQS-UHFFFAOYSA-N 0 0 180.207 1.787 10 0 ADAERN C[C@@H](CO)Nc1csc(Cl)n1 306704429 345557901 /nfs/dbraw/zinc/55/79/01/345557901.db2.gz HITRJGICRBUIGD-BYPYZUCNSA-N 0 0 192.671 1.589 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)C1(C)CC1 306704246 345557941 /nfs/dbraw/zinc/55/79/41/345557941.db2.gz GZMLEHWQMTWCRW-YUMQZZPRSA-N 0 0 167.252 1.796 10 0 ADAERN C[C@H]1CC[C@H]1N1CCCNC1=O 306703792 345557971 /nfs/dbraw/zinc/55/79/71/345557971.db2.gz BIVUDXNSCLLWLH-JGVFFNPUSA-N 0 0 168.240 1.200 10 0 ADAERN C[C@@H]1CC[C@H]1N1CCCNC1=O 306703791 345558013 /nfs/dbraw/zinc/55/80/13/345558013.db2.gz BIVUDXNSCLLWLH-HTQZYQBOSA-N 0 0 168.240 1.200 10 0 ADAERN CNC(=O)Oc1c(C)cc(N)cc1C 306704049 345558121 /nfs/dbraw/zinc/55/81/21/345558121.db2.gz IWPVJMANLTWTKL-UHFFFAOYSA-N 0 0 194.234 1.604 10 0 ADAERN Cc1nccn1CC1CCC(O)CC1 306704401 345558244 /nfs/dbraw/zinc/55/82/44/345558244.db2.gz HFQALNXSNSOTSD-UHFFFAOYSA-N 0 0 194.278 1.743 10 0 ADAERN C[C@H](O)c1nc(-c2ccco2)n[nH]1 306704061 345558256 /nfs/dbraw/zinc/55/82/56/345558256.db2.gz DIFXSKCCDUNMEX-YFKPBYRVSA-N 0 0 179.179 1.118 10 0 ADAERN CC1(C)CCC(CNN)CC1 306703993 345558271 /nfs/dbraw/zinc/55/82/71/345558271.db2.gz BAOKODLASUIPPQ-UHFFFAOYSA-N 0 0 156.273 1.666 10 0 ADAERN C[C@H]1CC[C@@H]1N1CCCNC1=O 306703794 345558277 /nfs/dbraw/zinc/55/82/77/345558277.db2.gz BIVUDXNSCLLWLH-YUMQZZPRSA-N 0 0 168.240 1.200 10 0 ADAERN C[C@@H](O)c1nc(-c2ccco2)n[nH]1 306704056 345558281 /nfs/dbraw/zinc/55/82/81/345558281.db2.gz DIFXSKCCDUNMEX-RXMQYKEDSA-N 0 0 179.179 1.118 10 0 ADAERN FC1=CCCN(c2cccnn2)C1 306703971 345558291 /nfs/dbraw/zinc/55/82/91/345558291.db2.gz AZNIMHOLZZECGS-UHFFFAOYSA-N 0 0 179.198 1.540 10 0 ADAERN C[C@@H](NC(=O)C1CC1)C(F)F 306703722 345558293 /nfs/dbraw/zinc/55/82/93/345558293.db2.gz MXVUCPLPNROHDC-SCSAIBSYSA-N 0 0 163.167 1.166 10 0 ADAERN C[C@@H]1CC[C@@H]1N1CCCNC1=O 306703793 345558374 /nfs/dbraw/zinc/55/83/74/345558374.db2.gz BIVUDXNSCLLWLH-SFYZADRCSA-N 0 0 168.240 1.200 10 0 ADAERN O[C@@H](c1ccsn1)C1CC1 306704652 345558469 /nfs/dbraw/zinc/55/84/69/345558469.db2.gz JXTJVRPFCAACRD-SSDOTTSWSA-N 0 0 155.222 1.587 10 0 ADAERN CC(C)(CO)SCCF 306704622 345558491 /nfs/dbraw/zinc/55/84/91/345558491.db2.gz JUXZIXDYLKZSKI-UHFFFAOYSA-N 0 0 152.234 1.460 10 0 ADAERN C/C=C/CNc1cc(Cl)nc(N)n1 306704734 345558533 /nfs/dbraw/zinc/55/85/33/345558533.db2.gz NYBZANBXXXJGIY-NSCUHMNNSA-N 0 0 198.657 1.700 10 0 ADAERN Nc1n[nH]c([C@@H]2CCCC2(F)F)n1 306705034 345558541 /nfs/dbraw/zinc/55/85/41/345558541.db2.gz GGTKLRYORRDUFO-BYPYZUCNSA-N 0 0 188.181 1.290 10 0 ADAERN CC[C@H](NC(C)=O)C1CCC1 306704674 345558597 /nfs/dbraw/zinc/55/85/97/345558597.db2.gz JZDSBPZLANXQJG-VIFPVBQESA-N 0 0 155.241 1.701 10 0 ADAERN Nc1n[nH]c([C@H]2CCCC2(F)F)n1 306705036 345558633 /nfs/dbraw/zinc/55/86/33/345558633.db2.gz GGTKLRYORRDUFO-SCSAIBSYSA-N 0 0 188.181 1.290 10 0 ADAERN CNc1ccc(NC(C)C)cn1 306705631 345558832 /nfs/dbraw/zinc/55/88/32/345558832.db2.gz LASUFMQJOAOVTB-UHFFFAOYSA-N 0 0 165.240 1.944 10 0 ADAERN Cn1cnc(-c2ccc(O)cn2)c1 306705298 345558977 /nfs/dbraw/zinc/55/89/77/345558977.db2.gz GTOBIGLFLRGRIV-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN CCC(=O)NCC1(F)CCC1 306705395 345559096 /nfs/dbraw/zinc/55/90/96/345559096.db2.gz IBMRNNKZKNABQY-UHFFFAOYSA-N 0 0 159.204 1.405 10 0 ADAERN CCNc1ncnc2sc(N)cc12 306705990 345559396 /nfs/dbraw/zinc/55/93/96/345559396.db2.gz INOKQBYTRUGFOA-UHFFFAOYSA-N 0 0 194.263 1.705 10 0 ADAERN CC(=O)NC[C@H](C)C(F)(F)F 306706188 345559440 /nfs/dbraw/zinc/55/94/40/345559440.db2.gz IUPBUFBGWZPPDK-BYPYZUCNSA-N 0 0 169.146 1.321 10 0 ADAERN CC(=O)NC[C@@H](C)C(F)(F)F 306706189 345559588 /nfs/dbraw/zinc/55/95/88/345559588.db2.gz IUPBUFBGWZPPDK-SCSAIBSYSA-N 0 0 169.146 1.321 10 0 ADAERN C[C@]1(c2nc(O)c[nH]2)CCCS1 306706665 345559807 /nfs/dbraw/zinc/55/98/07/345559807.db2.gz MCMOHVBCNGYZGF-MRVPVSSYSA-N 0 0 184.264 1.858 10 0 ADAERN Cc1cc(C(=O)[C@@H](C)O)sn1 306706530 345559858 /nfs/dbraw/zinc/55/98/58/345559858.db2.gz LQGMXLFLCMSGKG-RXMQYKEDSA-N 0 0 171.221 1.015 10 0 ADAERN C[C@](N)(c1ccncn1)C(F)(F)F 306706338 345559878 /nfs/dbraw/zinc/55/98/78/345559878.db2.gz QEXWOSGVQAMDLP-LURJTMIESA-N 0 0 191.156 1.213 10 0 ADAERN C[C@@](N)(c1ccncn1)C(F)(F)F 306706672 345559996 /nfs/dbraw/zinc/55/99/96/345559996.db2.gz QEXWOSGVQAMDLP-ZCFIWIBFSA-N 0 0 191.156 1.213 10 0 ADAERN C[C@@]1(c2nc(O)c[nH]2)CCCS1 306706667 345559999 /nfs/dbraw/zinc/55/99/99/345559999.db2.gz MCMOHVBCNGYZGF-QMMMGPOBSA-N 0 0 184.264 1.858 10 0 ADAERN NN[C@@H](c1ccsn1)C1CCCC1 306706544 345560043 /nfs/dbraw/zinc/56/00/43/345560043.db2.gz LRLUFXOGNONSMF-SECBINFHSA-N 0 0 197.307 1.838 10 0 ADAERN O=C(NC1CC1)N[C@H]1[C@H]2CCC[C@H]21 306706655 345560091 /nfs/dbraw/zinc/56/00/91/345560091.db2.gz JDINZGVNUXVVNE-AYMMMOKOSA-N 0 0 180.251 1.247 10 0 ADAERN COc1cccc(CN2CCC2)n1 306706591 345560095 /nfs/dbraw/zinc/56/00/95/345560095.db2.gz JBBFBKSIXRZAGL-UHFFFAOYSA-N 0 0 178.235 1.296 10 0 ADAERN FC(F)C1(NC2CCC2)CC1 306706492 345560107 /nfs/dbraw/zinc/56/01/07/345560107.db2.gz IXICYWUNSARWLE-UHFFFAOYSA-N 0 0 161.195 1.926 10 0 ADAERN Cc1cc(C(=O)[C@H](C)O)sn1 306706531 345560114 /nfs/dbraw/zinc/56/01/14/345560114.db2.gz LQGMXLFLCMSGKG-YFKPBYRVSA-N 0 0 171.221 1.015 10 0 ADAERN NN[C@H](c1ccsn1)C1CCCC1 306706546 345560166 /nfs/dbraw/zinc/56/01/66/345560166.db2.gz LRLUFXOGNONSMF-VIFPVBQESA-N 0 0 197.307 1.838 10 0 ADAERN CNC(=O)Oc1ccc(F)cc1N 306706788 345560221 /nfs/dbraw/zinc/56/02/21/345560221.db2.gz MFEJCFMYZJCGJN-UHFFFAOYSA-N 0 0 184.170 1.126 10 0 ADAERN NC(=O)Oc1ccc(N)c(Cl)c1 306707205 345560433 /nfs/dbraw/zinc/56/04/33/345560433.db2.gz MRVWMFVMZSDLSC-UHFFFAOYSA-N 0 0 186.598 1.380 10 0 ADAERN Cc1nc(N)c2c(n1)COC2(C)C 306707067 345560489 /nfs/dbraw/zinc/56/04/89/345560489.db2.gz MIMFHQWYHZVLBX-UHFFFAOYSA-N 0 0 179.223 1.133 10 0 ADAERN CC(C)=C(F)C(=O)NCC1CC1 306707315 345560676 /nfs/dbraw/zinc/56/06/76/345560676.db2.gz JWGXXCFZPSMWFK-UHFFFAOYSA-N 0 0 171.215 1.776 10 0 ADAERN CN(C)c1noc(C(C)(C)C)n1 306707751 345561085 /nfs/dbraw/zinc/56/10/85/345561085.db2.gz KHASDDCDDAEETQ-UHFFFAOYSA-N 0 0 169.228 1.433 10 0 ADAERN CO[C@@H](C)CNc1cncc(C)c1 306707541 345561109 /nfs/dbraw/zinc/56/11/09/345561109.db2.gz MXJMSJKCFIPCHT-VIFPVBQESA-N 0 0 180.251 1.837 10 0 ADAERN Cc1cc(N)ccc1N=S(C)(C)=O 306707532 345561194 /nfs/dbraw/zinc/56/11/94/345561194.db2.gz MWGVSFZCXBJKDG-UHFFFAOYSA-N 0 0 198.291 1.936 10 0 ADAERN CC(C)[NH2+]Cc1ccsn1 306708075 345561269 /nfs/dbraw/zinc/56/12/69/345561269.db2.gz NPCOHQTUTJKLTD-UHFFFAOYSA-N 0 0 156.254 1.641 10 0 ADAERN O[C@@H](c1csnn1)c1ccsn1 306707531 345561361 /nfs/dbraw/zinc/56/13/61/345561361.db2.gz MWEXREXOFAAFKB-ZCFIWIBFSA-N 0 0 199.260 1.076 10 0 ADAERN O[C@H](c1csnn1)c1ccsn1 306707530 345561401 /nfs/dbraw/zinc/56/14/01/345561401.db2.gz MWEXREXOFAAFKB-LURJTMIESA-N 0 0 199.260 1.076 10 0 ADAERN Cc1c(N)noc1-c1ccncn1 306707418 345561463 /nfs/dbraw/zinc/56/14/63/345561463.db2.gz RNLNXLKESBTJMC-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CO[C@H](C)CNc1cncc(C)c1 306707540 345561479 /nfs/dbraw/zinc/56/14/79/345561479.db2.gz MXJMSJKCFIPCHT-SECBINFHSA-N 0 0 180.251 1.837 10 0 ADAERN CO[C@@H]1CCC[C@@H]1Nc1cnn(C)c1 306708093 345561737 /nfs/dbraw/zinc/56/17/37/345561737.db2.gz NRNVFYHJUDTKQN-VHSXEESVSA-N 0 0 195.266 1.400 10 0 ADAERN CCNC(=O)[C@H]1CC[C@@H](F)C1 306708338 345561721 /nfs/dbraw/zinc/56/17/21/345561721.db2.gz KVYVXYPKVXMKFO-NKWVEPMBSA-N 0 0 159.204 1.261 10 0 ADAERN c1c[nH]c(N2CC[C@H]3CCC[C@H]32)n1 306708440 345561725 /nfs/dbraw/zinc/56/17/25/345561725.db2.gz NYJPOSIVPLOJMT-RKDXNWHRSA-N 0 0 177.251 1.789 10 0 ADAERN C[C@H]1C[C@@H](C)N(c2ncc[nH]2)C1 306708523 345561731 /nfs/dbraw/zinc/56/17/31/345561731.db2.gz OGIOSHLATJRAIN-JGVFFNPUSA-N 0 0 165.240 1.644 10 0 ADAERN CO[C@H]1CCC[C@@H]1Nc1cnn(C)c1 306708092 345561735 /nfs/dbraw/zinc/56/17/35/345561735.db2.gz NRNVFYHJUDTKQN-UWVGGRQHSA-N 0 0 195.266 1.400 10 0 ADAERN C[C@H]1C[C@@H](C)CN1c1ncc[nH]1 306708525 345561749 /nfs/dbraw/zinc/56/17/49/345561749.db2.gz OGIOSHLATJRAIN-SFYZADRCSA-N 0 0 165.240 1.644 10 0 ADAERN CO[C@H]1CCC[C@H]1Nc1cnn(C)c1 306708094 345561758 /nfs/dbraw/zinc/56/17/58/345561758.db2.gz NRNVFYHJUDTKQN-ZJUUUORDSA-N 0 0 195.266 1.400 10 0 ADAERN O=C1CSC(Cc2ccncc2)=N1 306708426 345561760 /nfs/dbraw/zinc/56/17/60/345561760.db2.gz OQYJQSRGVNPJNB-UHFFFAOYSA-N 0 0 192.243 1.835 10 0 ADAERN CO[C@@H]1CCC[C@H]1Nc1cnn(C)c1 306708091 345561768 /nfs/dbraw/zinc/56/17/68/345561768.db2.gz NRNVFYHJUDTKQN-NXEZZACHSA-N 0 0 195.266 1.400 10 0 ADAERN CCNC(=O)c1ccc(SC)nc1 306708424 345561823 /nfs/dbraw/zinc/56/18/23/345561823.db2.gz NWKYKERAWDWINP-UHFFFAOYSA-N 0 0 196.275 1.553 10 0 ADAERN C[C@H]1C[C@H](C)N(c2ncc[nH]2)C1 306708527 345561826 /nfs/dbraw/zinc/56/18/26/345561826.db2.gz OGIOSHLATJRAIN-YUMQZZPRSA-N 0 0 165.240 1.644 10 0 ADAERN c1c[nH]c(N2CC[C@@H]3CCC[C@H]32)n1 306708438 345561830 /nfs/dbraw/zinc/56/18/30/345561830.db2.gz NYJPOSIVPLOJMT-DTWKUNHWSA-N 0 0 177.251 1.789 10 0 ADAERN CCNC(=O)[C@H]1CC[C@H](F)C1 306708337 345561838 /nfs/dbraw/zinc/56/18/38/345561838.db2.gz KVYVXYPKVXMKFO-BQBZGAKWSA-N 0 0 159.204 1.261 10 0 ADAERN CCNC(=O)C[C@H]1CCC(F)(F)C1 306708280 345561841 /nfs/dbraw/zinc/56/18/41/345561841.db2.gz KOUSUJRMRWZSQH-SSDOTTSWSA-N 0 0 191.221 1.948 10 0 ADAERN CCNC(=O)[C@@H]1CC[C@H](F)C1 306708340 345561856 /nfs/dbraw/zinc/56/18/56/345561856.db2.gz KVYVXYPKVXMKFO-RQJHMYQMSA-N 0 0 159.204 1.261 10 0 ADAERN C[C@@H]1C[C@@H](C)N(c2ncc[nH]2)C1 306708521 345561864 /nfs/dbraw/zinc/56/18/64/345561864.db2.gz OGIOSHLATJRAIN-HTQZYQBOSA-N 0 0 165.240 1.644 10 0 ADAERN Cc1nn(C)cc1[C@@H]1CCCC1=O 306708478 345561884 /nfs/dbraw/zinc/56/18/84/345561884.db2.gz OCVCCLATVIRSSH-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN CCNC(=O)C[C@@H]1CCC(F)(F)C1 306708281 345561887 /nfs/dbraw/zinc/56/18/87/345561887.db2.gz KOUSUJRMRWZSQH-ZETCQYMHSA-N 0 0 191.221 1.948 10 0 ADAERN CCNC(=O)[C@@H]1CC[C@@H](F)C1 306708339 345561910 /nfs/dbraw/zinc/56/19/10/345561910.db2.gz KVYVXYPKVXMKFO-RNFRBKRXSA-N 0 0 159.204 1.261 10 0 ADAERN COCc1nnc(C2CC(C)C2)o1 306708455 345561915 /nfs/dbraw/zinc/56/19/15/345561915.db2.gz NZWDOORCTGAAMJ-UHFFFAOYSA-N 0 0 182.223 1.730 10 0 ADAERN Cc1nn(C)cc1[C@H]1CCCC1=O 306708477 345561925 /nfs/dbraw/zinc/56/19/25/345561925.db2.gz OCVCCLATVIRSSH-MRVPVSSYSA-N 0 0 178.235 1.565 10 0 ADAERN c1c[nH]c(N2CC[C@H]3CCC[C@@H]32)n1 306708437 345561933 /nfs/dbraw/zinc/56/19/33/345561933.db2.gz NYJPOSIVPLOJMT-BDAKNGLRSA-N 0 0 177.251 1.789 10 0 ADAERN CS[C@H](C)C(=O)Nc1cnoc1 306708394 345562016 /nfs/dbraw/zinc/56/20/16/345562016.db2.gz OLSSYBMUERQRDT-RXMQYKEDSA-N 0 0 186.236 1.365 10 0 ADAERN c1c[nH]c(N2CC[C@@H]3CCC[C@@H]32)n1 306708439 345562025 /nfs/dbraw/zinc/56/20/25/345562025.db2.gz NYJPOSIVPLOJMT-IUCAKERBSA-N 0 0 177.251 1.789 10 0 ADAERN CS[C@@H](C)C(=O)Nc1cnoc1 306708395 345562032 /nfs/dbraw/zinc/56/20/32/345562032.db2.gz OLSSYBMUERQRDT-YFKPBYRVSA-N 0 0 186.236 1.365 10 0 ADAERN C[C@H]1COC[C@@H](C)N1C(F)(F)F 306708718 345562400 /nfs/dbraw/zinc/56/24/00/345562400.db2.gz LEDVACUSFNDINH-OLQVQODUSA-N 0 0 183.173 1.615 10 0 ADAERN C[C@H]1COC[C@H](C)N1C(F)(F)F 306708720 345562401 /nfs/dbraw/zinc/56/24/01/345562401.db2.gz LEDVACUSFNDINH-WDSKDSINSA-N 0 0 183.173 1.615 10 0 ADAERN CCCN1CCCO1 306709187 345562477 /nfs/dbraw/zinc/56/24/77/345562477.db2.gz LLIOYMLHGKOKOJ-UHFFFAOYSA-N 0 0 115.176 1.034 10 0 ADAERN C[C@H]1CSCCN1c1ncc[nH]1 306709376 345562859 /nfs/dbraw/zinc/56/28/59/345562859.db2.gz PMUITFBMDHSUFE-ZETCQYMHSA-N 0 0 183.280 1.351 10 0 ADAERN C[C@@H]1CSCCN1c1ncc[nH]1 306709375 345562878 /nfs/dbraw/zinc/56/28/78/345562878.db2.gz PMUITFBMDHSUFE-SSDOTTSWSA-N 0 0 183.280 1.351 10 0 ADAERN CSCC[C@@H]1NC(=O)C1(C)C 306709933 345562888 /nfs/dbraw/zinc/56/28/88/345562888.db2.gz MEJPSAMVUIGFBG-LURJTMIESA-N 0 0 173.281 1.264 10 0 ADAERN Cc1cc([C@@H](CO)NO)ccc1F 306709354 345562957 /nfs/dbraw/zinc/56/29/57/345562957.db2.gz QSBHBVRQTHZOLG-SECBINFHSA-N 0 0 185.198 1.146 10 0 ADAERN COC(C)(C)[C@H](O)c1ccsn1 306709353 345562976 /nfs/dbraw/zinc/56/29/76/345562976.db2.gz PKKIKRHKEVXQDI-SSDOTTSWSA-N 0 0 187.264 1.602 10 0 ADAERN CSCC[C@H]1NC(=O)C1(C)C 306709938 345562999 /nfs/dbraw/zinc/56/29/99/345562999.db2.gz MEJPSAMVUIGFBG-ZCFIWIBFSA-N 0 0 173.281 1.264 10 0 ADAERN c1c[nH]c(-c2ccc3c(n2)CCC3)n1 306709364 345563029 /nfs/dbraw/zinc/56/30/29/345563029.db2.gz PLGXZLHPBNBXFY-UHFFFAOYSA-N 0 0 185.230 1.960 10 0 ADAERN CC(C)Oc1nccnc1NC1CC1 306709929 345563042 /nfs/dbraw/zinc/56/30/42/345563042.db2.gz MEAMJEYTHCNFNJ-UHFFFAOYSA-N 0 0 193.250 1.838 10 0 ADAERN COC(C)(C)[C@@H](O)c1ccsn1 306709355 345563066 /nfs/dbraw/zinc/56/30/66/345563066.db2.gz PKKIKRHKEVXQDI-ZETCQYMHSA-N 0 0 187.264 1.602 10 0 ADAERN CC(C)[C@@H](C1CCC1)N1CCNC1=O 306710167 345563348 /nfs/dbraw/zinc/56/33/48/345563348.db2.gz QSJAHBRYIYQRRO-JTQLQIEISA-N 0 0 196.294 1.836 10 0 ADAERN CCC(C)(C)c1oc(=O)[nH]c1N 306710291 345563510 /nfs/dbraw/zinc/56/35/10/345563510.db2.gz WIGDZTLZADIOJV-YFKPBYRVSA-N 0 0 170.212 1.299 10 0 ADAERN COc1c(N)ccc(F)c1OC 306710284 345563531 /nfs/dbraw/zinc/56/35/31/345563531.db2.gz WHFOHASUZCVJAP-UHFFFAOYSA-N 0 0 171.171 1.425 10 0 ADAERN CNc1ncnc2c1C(C)(C)OC2 306710385 345563611 /nfs/dbraw/zinc/56/36/11/345563611.db2.gz SQPXZEYXVKLSOZ-UHFFFAOYSA-N 0 0 179.223 1.284 10 0 ADAERN CCC(C)(C)c1oc(=O)[nH]c1N 306710290 345563614 /nfs/dbraw/zinc/56/36/14/345563614.db2.gz WIGDZTLZADIOJV-RXMQYKEDSA-N 0 0 170.212 1.299 10 0 ADAERN CC(C)[C@@H](NN)c1ccc[nH]1 306710885 345563912 /nfs/dbraw/zinc/56/39/12/345563912.db2.gz VUDQAJYUWULBDJ-MRVPVSSYSA-N 0 0 153.229 1.175 10 0 ADAERN CC(=O)C(=O)N[C@@H]1CCC[C@H](C)C1 306710926 345563967 /nfs/dbraw/zinc/56/39/67/345563967.db2.gz NCDCIFXOYFPMIA-IONNQARKSA-N 0 0 183.251 1.270 10 0 ADAERN Cc1ccc(N2CCC2)c(C[NH3+])c1 306710882 345563978 /nfs/dbraw/zinc/56/39/78/345563978.db2.gz VQRQOYJZOQXXRA-UHFFFAOYSA-N 0 0 176.263 1.664 10 0 ADAERN CCn1ccnc1C(=O)C(C)(F)F 306711019 345564000 /nfs/dbraw/zinc/56/40/00/345564000.db2.gz XAYBYEYNFCAKCC-UHFFFAOYSA-N 0 0 188.177 1.741 10 0 ADAERN CC(=O)C(=O)N[C@H]1CCC[C@@H](C)C1 306710922 345564135 /nfs/dbraw/zinc/56/41/35/345564135.db2.gz NCDCIFXOYFPMIA-APPZFPTMSA-N 0 0 183.251 1.270 10 0 ADAERN CC(=O)C(=O)N[C@@H]1CCC[C@@H](C)C1 306710927 345564167 /nfs/dbraw/zinc/56/41/67/345564167.db2.gz NCDCIFXOYFPMIA-VXNVDRBHSA-N 0 0 183.251 1.270 10 0 ADAERN CC(C)[C@H](NN)c1ccc[nH]1 306710887 345564196 /nfs/dbraw/zinc/56/41/96/345564196.db2.gz VUDQAJYUWULBDJ-QMMMGPOBSA-N 0 0 153.229 1.175 10 0 ADAERN CCCc1nnc([C@@H]2CCCO2)o1 306710949 345564200 /nfs/dbraw/zinc/56/42/00/345564200.db2.gz NENDMVBBZDUKRC-ZETCQYMHSA-N 0 0 182.223 1.874 10 0 ADAERN CC(=O)C(=O)N[C@H]1CCC[C@H](C)C1 306710925 345564238 /nfs/dbraw/zinc/56/42/38/345564238.db2.gz NCDCIFXOYFPMIA-CBAPKCEASA-N 0 0 183.251 1.270 10 0 ADAERN CC(C)C[C@@]1(C)NCC(=O)N1C1CC1 306711476 345564516 /nfs/dbraw/zinc/56/45/16/345564516.db2.gz NJUITPRXKFCHEN-NSHDSACASA-N 0 0 196.294 1.343 10 0 ADAERN CC[C@H](O)C(=O)c1ccsn1 306711108 345564582 /nfs/dbraw/zinc/56/45/82/345564582.db2.gz RRTNHWRKFWFYPI-LURJTMIESA-N 0 0 171.221 1.097 10 0 ADAERN CC(C)[C@H](C1CCC1)n1cnc(N)n1 306711631 345564637 /nfs/dbraw/zinc/56/46/37/345564637.db2.gz SICVTXOFEIITIK-SECBINFHSA-N 0 0 194.282 1.858 10 0 ADAERN CC[C@@H](O)C(=O)c1ccsn1 306711110 345564640 /nfs/dbraw/zinc/56/46/40/345564640.db2.gz RRTNHWRKFWFYPI-ZCFIWIBFSA-N 0 0 171.221 1.097 10 0 ADAERN Fc1cnc(Nc2c[nH]cn2)nc1 306711889 345564688 /nfs/dbraw/zinc/56/46/88/345564688.db2.gz NZRYFMNUVZYMMZ-UHFFFAOYSA-N 0 0 179.158 1.082 10 0 ADAERN CC(C)C[C@]1(C)NCC(=O)N1C1CC1 306711472 345564770 /nfs/dbraw/zinc/56/47/70/345564770.db2.gz NJUITPRXKFCHEN-LLVKDONJSA-N 0 0 196.294 1.343 10 0 ADAERN CSC(C)(C)C(=O)c1ccnn1C 306711602 345564833 /nfs/dbraw/zinc/56/48/33/345564833.db2.gz SFVCUPWLPVNZBY-UHFFFAOYSA-N 0 0 198.291 1.744 10 0 ADAERN CC(C)[C@@H](C1CCC1)n1cnc(N)n1 306711632 345564860 /nfs/dbraw/zinc/56/48/60/345564860.db2.gz SICVTXOFEIITIK-VIFPVBQESA-N 0 0 194.282 1.858 10 0 ADAERN CC[C@H](C1CCC1)N(C)C#N 306712048 345565047 /nfs/dbraw/zinc/56/50/47/345565047.db2.gz SOUCPHODBRDBBU-SECBINFHSA-N 0 0 152.241 1.978 10 0 ADAERN CC[C@@H](C1CCC1)N(C)C#N 306712049 345565063 /nfs/dbraw/zinc/56/50/63/345565063.db2.gz SOUCPHODBRDBBU-VIFPVBQESA-N 0 0 152.241 1.978 10 0 ADAERN Cc1nn(C)cc1[C@@H]1CCC(=O)C1 306712114 345565094 /nfs/dbraw/zinc/56/50/94/345565094.db2.gz TXIGPTQCIJUWLS-MRVPVSSYSA-N 0 0 178.235 1.565 10 0 ADAERN COCc1nc(=O)c2ccsc2[nH]1 306712131 345565102 /nfs/dbraw/zinc/56/51/02/345565102.db2.gz TYLVLNGMQMYUNC-UHFFFAOYSA-N 0 0 196.231 1.543 10 0 ADAERN CSCCSC(C)(C)CO 306712819 345565149 /nfs/dbraw/zinc/56/51/49/345565149.db2.gz UQWMUPWQBRSNHY-UHFFFAOYSA-N 0 0 180.338 1.854 10 0 ADAERN COCC(=O)C(C)(C)SC 306712126 345565177 /nfs/dbraw/zinc/56/51/77/345565177.db2.gz TYEPUPDUBWOXCL-UHFFFAOYSA-N 0 0 162.254 1.344 10 0 ADAERN Cc1ccc2c(c1F)CCNC2=O 306712293 345565293 /nfs/dbraw/zinc/56/52/93/345565293.db2.gz YVHVSYICGBRTJD-UHFFFAOYSA-N 0 0 179.194 1.420 10 0 ADAERN CCCNC(=O)C1C=CC=CC=C1 306712426 345565335 /nfs/dbraw/zinc/56/53/35/345565335.db2.gz UCCWYSZXOKBZSF-UHFFFAOYSA-N 0 0 177.247 1.811 10 0 ADAERN CONC(=O)NC1CC(C(C)C)C1 306713637 345565628 /nfs/dbraw/zinc/56/56/28/345565628.db2.gz VVKGNYORBRLRDG-UHFFFAOYSA-N 0 0 186.255 1.282 10 0 ADAERN CC[C@H](C1CCC1)N1C(=O)CNC1=O 306713650 345565648 /nfs/dbraw/zinc/56/56/48/345565648.db2.gz VXGVNYBNAAABDE-MRVPVSSYSA-N 0 0 196.250 1.117 10 0 ADAERN COCc1noc(C2(F)CCC2)n1 306713596 345565756 /nfs/dbraw/zinc/56/57/56/345565756.db2.gz VPZPVGWSDWHCRV-UHFFFAOYSA-N 0 0 186.186 1.565 10 0 ADAERN CC[C@@H](C1CCC1)N1C(=O)CNC1=O 306713651 345565774 /nfs/dbraw/zinc/56/57/74/345565774.db2.gz VXGVNYBNAAABDE-QMMMGPOBSA-N 0 0 196.250 1.117 10 0 ADAERN Nc1cc(C(F)(F)F)c(O)cn1 306713085 345565785 /nfs/dbraw/zinc/56/57/85/345565785.db2.gz ZXNRPBXHGVWNPH-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN C[C@@H](Nc1ncccn1)C(C)(C)O 306713875 345566029 /nfs/dbraw/zinc/56/60/29/345566029.db2.gz PWTNWQBRDDSWSO-SSDOTTSWSA-N 0 0 181.239 1.048 10 0 ADAERN C[C@](O)(CNc1ncns1)C1CC1 306714129 345566075 /nfs/dbraw/zinc/56/60/75/345566075.db2.gz DQLSPHLRMPBAII-QMMMGPOBSA-N 0 0 199.279 1.111 10 0 ADAERN C[C@@](O)(CNc1ncns1)C1CC1 306714128 345566320 /nfs/dbraw/zinc/56/63/20/345566320.db2.gz DQLSPHLRMPBAII-MRVPVSSYSA-N 0 0 199.279 1.111 10 0 ADAERN COc1nccnc1[C@](C)(F)[C@H](C)[NH3+] 306714361 345566103 /nfs/dbraw/zinc/56/61/03/345566103.db2.gz QLOLQCJDWQCMKX-IMTBSYHQSA-N 0 0 199.229 1.017 10 0 ADAERN COc1nccnc1[C@@](C)(F)[C@@H](C)[NH3+] 306714364 345566113 /nfs/dbraw/zinc/56/61/13/345566113.db2.gz QLOLQCJDWQCMKX-MUWHJKNJSA-N 0 0 199.229 1.017 10 0 ADAERN C[C@H](Nc1ccncn1)C(C)(F)F 306714174 345566124 /nfs/dbraw/zinc/56/61/24/345566124.db2.gz DZBZVUMRMMLXGC-LURJTMIESA-N 0 0 187.193 1.932 10 0 ADAERN CON(C)C(=O)Nc1ncc(C)o1 306714008 345566169 /nfs/dbraw/zinc/56/61/69/345566169.db2.gz WIXRDAZJCCBYTC-UHFFFAOYSA-N 0 0 185.183 1.008 10 0 ADAERN CC(=O)c1cc(N)c(F)cc1N 306714173 345566197 /nfs/dbraw/zinc/56/61/97/345566197.db2.gz DYYBEQRJDRJRJX-UHFFFAOYSA-N 0 0 168.171 1.193 10 0 ADAERN COc1nccnc1[C@@](C)(F)[C@H](C)[NH3+] 306714366 345566210 /nfs/dbraw/zinc/56/62/10/345566210.db2.gz QLOLQCJDWQCMKX-RCOVLWMOSA-N 0 0 199.229 1.017 10 0 ADAERN CC[C@@H](N1CCOCC1)C(F)(F)F 306713727 345566221 /nfs/dbraw/zinc/56/62/21/345566221.db2.gz DBCNUZGUIJSMGG-SSDOTTSWSA-N 0 0 197.200 1.660 10 0 ADAERN COc1nccnc1[C@](C)(F)[C@@H](C)[NH3+] 306714359 345566308 /nfs/dbraw/zinc/56/63/08/345566308.db2.gz QLOLQCJDWQCMKX-HZGVNTEJSA-N 0 0 199.229 1.017 10 0 ADAERN CC1CC(NC(=O)C2CC(C)C2)C1 306713933 345566328 /nfs/dbraw/zinc/56/63/28/345566328.db2.gz QFZCRGPVONERDV-UHFFFAOYSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@H]1CCN1C(=O)n1ccnc1 306714384 345566333 /nfs/dbraw/zinc/56/63/33/345566333.db2.gz WSTNFHZMASFBSS-QMMMGPOBSA-N 0 0 179.223 1.336 10 0 ADAERN CCc1nnc(-c2c[nH]cn2)o1 306713873 345566349 /nfs/dbraw/zinc/56/63/49/345566349.db2.gz PWOXCQISHCSKBC-UHFFFAOYSA-N 0 0 164.168 1.022 10 0 ADAERN CON(C)c1ccnc(Cl)n1 306713947 345566358 /nfs/dbraw/zinc/56/63/58/345566358.db2.gz QHLALUXDBJHVNJ-UHFFFAOYSA-N 0 0 173.603 1.128 10 0 ADAERN CSC(C)(C)c1ncc(C)c(N)n1 306714045 345566377 /nfs/dbraw/zinc/56/63/77/345566377.db2.gz WOAFAGLHWFTISO-UHFFFAOYSA-N 0 0 197.307 1.965 10 0 ADAERN O=C(C=C1CCOCC1)OC1CC1 306714256 345566418 /nfs/dbraw/zinc/56/64/18/345566418.db2.gz QJLREMRYJCSFPA-UHFFFAOYSA-N 0 0 182.219 1.429 10 0 ADAERN CC[C@@H]1CCN1C(=O)n1ccnc1 306714383 345566454 /nfs/dbraw/zinc/56/64/54/345566454.db2.gz WSTNFHZMASFBSS-MRVPVSSYSA-N 0 0 179.223 1.336 10 0 ADAERN C[C@@H](Nc1ccncn1)C(C)(F)F 306714175 345566485 /nfs/dbraw/zinc/56/64/85/345566485.db2.gz DZBZVUMRMMLXGC-ZCFIWIBFSA-N 0 0 187.193 1.932 10 0 ADAERN CC(C)=C(F)C(=O)N1CC(F)(F)C1 306714520 345566717 /nfs/dbraw/zinc/56/67/17/345566717.db2.gz QTQZELNXFCYCQB-UHFFFAOYSA-N 0 0 193.168 1.727 10 0 ADAERN Nc1cnc(NCCF)s1 306714830 345566744 /nfs/dbraw/zinc/56/67/44/345566744.db2.gz QYZORNXEQPCSFM-UHFFFAOYSA-N 0 0 161.205 1.107 10 0 ADAERN Cc1ncn(-c2cncc(Cl)n2)n1 306714912 345567039 /nfs/dbraw/zinc/56/70/39/345567039.db2.gz RHPMKSSSELOZRB-UHFFFAOYSA-N 0 0 195.613 1.019 10 0 ADAERN CSC(C)(C)c1noc(C=O)n1 306715234 345567358 /nfs/dbraw/zinc/56/73/58/345567358.db2.gz YKIJFLOSUAJBAU-UHFFFAOYSA-N 0 0 186.236 1.480 10 0 ADAERN CNC(=O)Oc1cc(C)c(N)cc1F 306715288 345567383 /nfs/dbraw/zinc/56/73/83/345567383.db2.gz YQRSWXCPJSRGSN-UHFFFAOYSA-N 0 0 198.197 1.435 10 0 ADAERN Cc1c[nH]c(N2CC[C@@H](C)C2)n1 306715211 345567391 /nfs/dbraw/zinc/56/73/91/345567391.db2.gz YGKVFDZOVXOCCD-SSDOTTSWSA-N 0 0 165.240 1.564 10 0 ADAERN C[C@@H]1CN(c2ncc[nH]2)CC[C@H]1C 306715044 345567406 /nfs/dbraw/zinc/56/74/06/345567406.db2.gz XYYKEIAJVHMWNT-RKDXNWHRSA-N 0 0 179.267 1.892 10 0 ADAERN Cc1c[nH]c(N2CC[C@H](C)C2)n1 306715212 345567459 /nfs/dbraw/zinc/56/74/59/345567459.db2.gz YGKVFDZOVXOCCD-ZETCQYMHSA-N 0 0 165.240 1.564 10 0 ADAERN COc1cc(-c2nnc(C)o2)on1 306715051 345567509 /nfs/dbraw/zinc/56/75/09/345567509.db2.gz XZQHLMLTXFDAPO-UHFFFAOYSA-N 0 0 181.151 1.042 10 0 ADAERN C[C@H]1CCN(c2ncc[nH]2)C[C@H]1C 306715042 345567534 /nfs/dbraw/zinc/56/75/34/345567534.db2.gz XYYKEIAJVHMWNT-DTWKUNHWSA-N 0 0 179.267 1.892 10 0 ADAERN C[C@@H]1CCN(c2ncc[nH]2)C[C@@H]1C 306715041 345567542 /nfs/dbraw/zinc/56/75/42/345567542.db2.gz XYYKEIAJVHMWNT-BDAKNGLRSA-N 0 0 179.267 1.892 10 0 ADAERN CCNC(=O)Nc1cc(CC)on1 306715030 345567545 /nfs/dbraw/zinc/56/75/45/345567545.db2.gz XWMPAEGSAXENEP-UHFFFAOYSA-N 0 0 183.211 1.378 10 0 ADAERN C[C@]1(C(N)=S)CCCS1 306715414 345567548 /nfs/dbraw/zinc/56/75/48/345567548.db2.gz YTWFSFPGRXEKNJ-ZCFIWIBFSA-N 0 0 161.295 1.558 10 0 ADAERN C[C@H]1CCN(c2ncc[nH]2)C[C@@H]1C 306715043 345567552 /nfs/dbraw/zinc/56/75/52/345567552.db2.gz XYYKEIAJVHMWNT-IUCAKERBSA-N 0 0 179.267 1.892 10 0 ADAERN O=c1cc2c(n[nH]1)C1(CCCC1)CC2 306715251 345567593 /nfs/dbraw/zinc/56/75/93/345567593.db2.gz YMEDHFWWWNSVAE-UHFFFAOYSA-N 0 0 190.246 1.528 10 0 ADAERN CCOC(=N)c1ccc2c(n1)CCC2 306715065 345567636 /nfs/dbraw/zinc/56/76/36/345567636.db2.gz YAZPJMDXWHUPIB-UHFFFAOYSA-N 0 0 190.246 1.932 10 0 ADAERN CC[C@@]1(C)C[C@H]1Nc1cnnn1C 306715971 345568144 /nfs/dbraw/zinc/56/81/44/345568144.db2.gz ATEUYAGJEPBXHB-APPZFPTMSA-N 0 0 180.255 1.416 10 0 ADAERN CON(CC(C)C)C(=O)C(F)(F)F 306721612 345572461 /nfs/dbraw/zinc/57/24/61/345572461.db2.gz DULARJCURGLKCD-UHFFFAOYSA-N 0 0 199.172 1.595 10 0 ADAERN CO[C@H]1C[C@@H](Nc2nnc(C)s2)C1 306715547 345568329 /nfs/dbraw/zinc/56/83/29/345568329.db2.gz ZVNCUQKJLFILQM-LJGSYFOKSA-N 0 0 199.279 1.436 10 0 ADAERN CC[C@]1(C)C[C@@H]1Nc1cnnn1C 306715980 345568337 /nfs/dbraw/zinc/56/83/37/345568337.db2.gz ATEUYAGJEPBXHB-IONNQARKSA-N 0 0 180.255 1.416 10 0 ADAERN CC[C@@]1(C)C[C@@H]1Nc1cnnn1C 306715976 345568363 /nfs/dbraw/zinc/56/83/63/345568363.db2.gz ATEUYAGJEPBXHB-CBAPKCEASA-N 0 0 180.255 1.416 10 0 ADAERN CC(C)[C@H](C)C1CC(=O)NC(=O)C1 306716228 345568608 /nfs/dbraw/zinc/56/86/08/345568608.db2.gz BGYPJRNLCBKJCA-ZETCQYMHSA-N 0 0 183.251 1.331 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cn[nH]c1 306716316 345568682 /nfs/dbraw/zinc/56/86/82/345568682.db2.gz TWWBDBHQLGHRFX-HTRCEHHLSA-N 0 0 151.213 1.620 10 0 ADAERN Cc1cc(CN2CCNC2=O)cs1 306716985 345568720 /nfs/dbraw/zinc/56/87/20/345568720.db2.gz GHENWLDUGSKQBC-UHFFFAOYSA-N 0 0 196.275 1.582 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cn[nH]c1 306716319 345568978 /nfs/dbraw/zinc/56/89/78/345568978.db2.gz TWWBDBHQLGHRFX-XPUUQOCRSA-N 0 0 151.213 1.620 10 0 ADAERN CC(C)[C@@H](C)C1CC(=O)NC(=O)C1 306716227 345568988 /nfs/dbraw/zinc/56/89/88/345568988.db2.gz BGYPJRNLCBKJCA-SSDOTTSWSA-N 0 0 183.251 1.331 10 0 ADAERN Nc1cc(N2C[C@H]3C[C@H]3C2)sn1 306716792 345569021 /nfs/dbraw/zinc/56/90/21/345569021.db2.gz GRESQBUTEVCVBB-OLQVQODUSA-N 0 0 181.264 1.181 10 0 ADAERN Cc1ccc(N)cc1N=S(C)(C)=O 306716667 345569038 /nfs/dbraw/zinc/56/90/38/345569038.db2.gz BSYHOILUSOBOGP-UHFFFAOYSA-N 0 0 198.291 1.936 10 0 ADAERN Cc1ccc(C(=O)N2CC2)c(C)c1 306716216 345569056 /nfs/dbraw/zinc/56/90/56/345569056.db2.gz BGDNVWZPAMZZOR-UHFFFAOYSA-N 0 0 175.231 1.759 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cn[nH]c1 306716318 345569073 /nfs/dbraw/zinc/56/90/73/345569073.db2.gz TWWBDBHQLGHRFX-SVRRBLITSA-N 0 0 151.213 1.620 10 0 ADAERN FC1(F)CC(C2N=NC(=S)N2)C1 306717498 345569345 /nfs/dbraw/zinc/56/93/45/345569345.db2.gz GOSJMTSHUZAKTO-UHFFFAOYSA-N 0 0 191.206 1.606 10 0 ADAERN CCCC(=O)Nc1ncccc1F 306717266 345569437 /nfs/dbraw/zinc/56/94/37/345569437.db2.gz UYQIQHPPINMGCQ-UHFFFAOYSA-N 0 0 182.198 1.959 10 0 ADAERN O=C(Nc1c[nH]cn1)N1CCCC1 306718821 345570155 /nfs/dbraw/zinc/57/01/55/345570155.db2.gz WUKXWCJMJJVPAJ-UHFFFAOYSA-N 0 0 180.211 1.037 10 0 ADAERN C[C@H]1CSCCN(c2ncc[nH]2)C1 306719274 345570160 /nfs/dbraw/zinc/57/01/60/345570160.db2.gz KINOWRIPAQIEKE-MRVPVSSYSA-N 0 0 197.307 1.599 10 0 ADAERN O=C(OC1CCC1)c1ccncn1 306718853 345570166 /nfs/dbraw/zinc/57/01/66/345570166.db2.gz WURVKZWUNNHNQM-UHFFFAOYSA-N 0 0 178.191 1.186 10 0 ADAERN CC(C)(C)Oc1ncc(CO)cn1 306719121 345570188 /nfs/dbraw/zinc/57/01/88/345570188.db2.gz XBNOGDHUOGCIPY-UHFFFAOYSA-N 0 0 182.223 1.146 10 0 ADAERN Cc1nnc([C@H]2CC[C@H](C)O2)o1 306719127 345570192 /nfs/dbraw/zinc/57/01/92/345570192.db2.gz XBPCBQQFZPRNFE-CAHLUQPWSA-N 0 0 168.196 1.618 10 0 ADAERN Cc1nnc([C@@H]2CC[C@@H](C)O2)o1 306719140 345570203 /nfs/dbraw/zinc/57/02/03/345570203.db2.gz XBPCBQQFZPRNFE-VDTYLAMSSA-N 0 0 168.196 1.618 10 0 ADAERN CC(F)(F)C(=O)c1ccc[nH]1 306718960 345570221 /nfs/dbraw/zinc/57/02/21/345570221.db2.gz XAKBOYQPYCVKGL-UHFFFAOYSA-N 0 0 159.135 1.853 10 0 ADAERN Cc1nnc([C@@H]2CC[C@H](C)O2)o1 306719133 345570253 /nfs/dbraw/zinc/57/02/53/345570253.db2.gz XBPCBQQFZPRNFE-FSPLSTOPSA-N 0 0 168.196 1.618 10 0 ADAERN C[C@@H]1CSCCN(c2ncc[nH]2)C1 306719275 345570254 /nfs/dbraw/zinc/57/02/54/345570254.db2.gz KINOWRIPAQIEKE-QMMMGPOBSA-N 0 0 197.307 1.599 10 0 ADAERN CC[N@@H+]1CC/C(=C(\C)C(=O)[O-])C1 306719006 345570332 /nfs/dbraw/zinc/57/03/32/345570332.db2.gz JMUVXXPBVPYCAC-FPLPWBNLSA-N 0 0 169.224 1.113 10 0 ADAERN COc1cc(N)c(OC)c(F)c1 306719005 345570315 /nfs/dbraw/zinc/57/03/15/345570315.db2.gz JMUHLOTUSMGUOR-UHFFFAOYSA-N 0 0 171.171 1.425 10 0 ADAERN Cc1c(N)nsc1N1CCC1 306718952 345570320 /nfs/dbraw/zinc/57/03/20/345570320.db2.gz WZKWADCPNIFCNV-UHFFFAOYSA-N 0 0 169.253 1.244 10 0 ADAERN Cc1nnc([C@H]2CC[C@@H](C)O2)o1 306719139 345570328 /nfs/dbraw/zinc/57/03/28/345570328.db2.gz XBPCBQQFZPRNFE-IYSWYEEDSA-N 0 0 168.196 1.618 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1c1cn(C)cn1 306719546 345570759 /nfs/dbraw/zinc/57/07/59/345570759.db2.gz LBYIDYNVVOCRTG-SFYZADRCSA-N 0 0 178.235 1.503 10 0 ADAERN C[C@@H]1C(=O)CC[C@@H]1c1cn(C)cn1 306719547 345570765 /nfs/dbraw/zinc/57/07/65/345570765.db2.gz LBYIDYNVVOCRTG-YUMQZZPRSA-N 0 0 178.235 1.503 10 0 ADAERN COC1(CNN)CCC(C)CC1 306719379 345570792 /nfs/dbraw/zinc/57/07/92/345570792.db2.gz XUWDFXHEFXSHFJ-UHFFFAOYSA-N 0 0 172.272 1.045 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1c1cn(C)cn1 306719545 345570806 /nfs/dbraw/zinc/57/08/06/345570806.db2.gz LBYIDYNVVOCRTG-JGVFFNPUSA-N 0 0 178.235 1.503 10 0 ADAERN CC(C)[C@](C)(O)CNc1cccnn1 306719744 345570863 /nfs/dbraw/zinc/57/08/63/345570863.db2.gz LRKNTMFEYSJFGQ-SNVBAGLBSA-N 0 0 195.266 1.296 10 0 ADAERN CCc1nc(=O)c2cscc2[nH]1 306719341 345570879 /nfs/dbraw/zinc/57/08/79/345570879.db2.gz XPOGWMUZUGRCMM-UHFFFAOYSA-N 0 0 180.232 1.959 10 0 ADAERN CC(C)(C)C[C@]1(C)CC(=O)NC1=O 306719595 345570903 /nfs/dbraw/zinc/57/09/03/345570903.db2.gz LFTKWRKZPMDZRL-JTQLQIEISA-N 0 0 183.251 1.475 10 0 ADAERN CC(C)(C)C[C@@]1(C)CC(=O)NC1=O 306719596 345571029 /nfs/dbraw/zinc/57/10/29/345571029.db2.gz LFTKWRKZPMDZRL-SNVBAGLBSA-N 0 0 183.251 1.475 10 0 ADAERN CC(C)[C@@](C)(O)CNc1cccnn1 306719743 345571059 /nfs/dbraw/zinc/57/10/59/345571059.db2.gz LRKNTMFEYSJFGQ-JTQLQIEISA-N 0 0 195.266 1.296 10 0 ADAERN CCNc1cc(=O)cc(Cl)[nH]1 306719732 345571101 /nfs/dbraw/zinc/57/11/01/345571101.db2.gz YOVBQXKSMIOTHZ-UHFFFAOYSA-N 0 0 172.615 1.872 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1c1cn(C)cn1 306719544 345571260 /nfs/dbraw/zinc/57/12/60/345571260.db2.gz LBYIDYNVVOCRTG-HTQZYQBOSA-N 0 0 178.235 1.503 10 0 ADAERN CCNC(=S)N[C@@H]1C[C@@H](C)[C@H]1C 306720335 345571532 /nfs/dbraw/zinc/57/15/32/345571532.db2.gz NBAVYWCJTWFIGN-BWZBUEFSSA-N 0 0 186.324 1.515 10 0 ADAERN Cc1c[nH]nc1N[S@@](=O)C(C)C 306720289 345571544 /nfs/dbraw/zinc/57/15/44/345571544.db2.gz MVNXVDDZPTXZLN-LBPRGKRZSA-N 0 0 187.268 1.202 10 0 ADAERN Cc1c[nH]nc1N[S@](=O)C(C)C 306720288 345571554 /nfs/dbraw/zinc/57/15/54/345571554.db2.gz MVNXVDDZPTXZLN-GFCCVEGCSA-N 0 0 187.268 1.202 10 0 ADAERN Nc1cc2ncsc2cc1O 306720443 345571557 /nfs/dbraw/zinc/57/15/57/345571557.db2.gz NIQFIFLDEKPEIM-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN CCNC(=S)N[C@@H]1C[C@@H](C)[C@@H]1C 306720336 345571562 /nfs/dbraw/zinc/57/15/62/345571562.db2.gz NBAVYWCJTWFIGN-GJMOJQLCSA-N 0 0 186.324 1.515 10 0 ADAERN CCNC(=S)N[C@@H]1C[C@H](C)[C@H]1C 306720387 345571564 /nfs/dbraw/zinc/57/15/64/345571564.db2.gz NBAVYWCJTWFIGN-XLPZGREQSA-N 0 0 186.324 1.515 10 0 ADAERN CCNC(=S)N[C@@H]1C[C@H](C)[C@@H]1C 306720334 345571570 /nfs/dbraw/zinc/57/15/70/345571570.db2.gz NBAVYWCJTWFIGN-BIIVOSGPSA-N 0 0 186.324 1.515 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N1CCC1 306720196 345571609 /nfs/dbraw/zinc/57/16/09/345571609.db2.gz ZBNXTFUAHHIGED-DTWKUNHWSA-N 0 0 167.252 1.655 10 0 ADAERN NC(=O)NCc1cc2occc2s1 306721374 345571987 /nfs/dbraw/zinc/57/19/87/345571987.db2.gz DTPAUROHJSJSFB-UHFFFAOYSA-N 0 0 196.231 1.663 10 0 ADAERN CSCc1nnc(C2CC(=O)C2)o1 306720685 345572197 /nfs/dbraw/zinc/57/21/97/345572197.db2.gz CZGIOJQDPPHMKH-UHFFFAOYSA-N 0 0 198.247 1.379 10 0 ADAERN C[C@H]1CC[C@H]1Nc1nncs1 306721010 345572240 /nfs/dbraw/zinc/57/22/40/345572240.db2.gz OAOBVKNDIHPDJS-NTSWFWBYSA-N 0 0 169.253 1.749 10 0 ADAERN C[C@@H](N1CCNC1=O)C(C)(F)F 306721895 345572360 /nfs/dbraw/zinc/57/23/60/345572360.db2.gz IKQQFQSTUFWXDQ-RXMQYKEDSA-N 0 0 178.182 1.055 10 0 ADAERN C[C@]1(O)CCC[C@H]1[C@@H]1CCCC1=O 306721444 345572362 /nfs/dbraw/zinc/57/23/62/345572362.db2.gz ONJDVVFQHAVLJA-QXEWZRGKSA-N 0 0 182.263 1.907 10 0 ADAERN CC[C@H]1CCC[C@]1(O)c1cnn(C)n1 306721610 345572391 /nfs/dbraw/zinc/57/23/91/345572391.db2.gz DTZITFMYHHNOEU-WCBMZHEXSA-N 0 0 195.266 1.213 10 0 ADAERN CC[C@H]1CCC[C@@]1(O)c1cnn(C)n1 306721611 345572393 /nfs/dbraw/zinc/57/23/93/345572393.db2.gz DTZITFMYHHNOEU-WPRPVWTQSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@H](N1CCNC1=O)C(C)(F)F 306721896 345572409 /nfs/dbraw/zinc/57/24/09/345572409.db2.gz IKQQFQSTUFWXDQ-YFKPBYRVSA-N 0 0 178.182 1.055 10 0 ADAERN C[C@@H]1CNc2cncc(Cl)c2N1C 306721678 345572440 /nfs/dbraw/zinc/57/24/40/345572440.db2.gz FAQOCLMYLYIODC-ZCFIWIBFSA-N 0 0 197.669 1.985 10 0 ADAERN COc1ncc(N[C@@H]2C[C@H]2C)cn1 306721437 345572455 /nfs/dbraw/zinc/57/24/55/345572455.db2.gz ONGHRIFUANJWJT-HTRCEHHLSA-N 0 0 179.223 1.306 10 0 ADAERN O=C(NCCCF)Nc1ncco1 306721661 345572479 /nfs/dbraw/zinc/57/24/79/345572479.db2.gz DZCOLTPCDKVBMN-UHFFFAOYSA-N 0 0 187.174 1.156 10 0 ADAERN CC[C@@H]1CCC[C@]1(O)c1cnn(C)n1 306721381 345572515 /nfs/dbraw/zinc/57/25/15/345572515.db2.gz DTZITFMYHHNOEU-PSASIEDQSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@]1(O)CCC[C@@H]1[C@@H]1CCCC1=O 306721443 345572525 /nfs/dbraw/zinc/57/25/25/345572525.db2.gz ONJDVVFQHAVLJA-NGZCFLSTSA-N 0 0 182.263 1.907 10 0 ADAERN C[C@H]1CNc2cncc(Cl)c2N1C 306721677 345572528 /nfs/dbraw/zinc/57/25/28/345572528.db2.gz FAQOCLMYLYIODC-LURJTMIESA-N 0 0 197.669 1.985 10 0 ADAERN CC[C@@H]1CCC[C@@]1(O)c1cnn(C)n1 306721382 345572554 /nfs/dbraw/zinc/57/25/54/345572554.db2.gz DTZITFMYHHNOEU-SCZZXKLOSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@]1(O)CCC[C@@H]1[C@H]1CCCC1=O 306721442 345572567 /nfs/dbraw/zinc/57/25/67/345572567.db2.gz ONJDVVFQHAVLJA-KKZNHRDASA-N 0 0 182.263 1.907 10 0 ADAERN O=C(c1ccsc1)[C@@H]1[C@H]2COC[C@H]21 306721499 345572568 /nfs/dbraw/zinc/57/25/68/345572568.db2.gz HXIFOGYHPAIMBE-BRPSZJMVSA-N 0 0 194.255 1.823 10 0 ADAERN C[C@]1(O)CCC[C@H]1[C@H]1CCCC1=O 306721445 345572578 /nfs/dbraw/zinc/57/25/78/345572578.db2.gz ONJDVVFQHAVLJA-YWVKMMECSA-N 0 0 182.263 1.907 10 0 ADAERN CC[C@H](NC=O)C1CCCC1 306722341 345573004 /nfs/dbraw/zinc/57/30/04/345573004.db2.gz QAURMZRNZHCVAP-VIFPVBQESA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H](c1oc(=O)[nH]c1N)C(C)(C)C 306722972 345573049 /nfs/dbraw/zinc/57/30/49/345573049.db2.gz GDIYVGORVBJSOA-PHDIDXHHSA-N 0 0 184.239 1.545 10 0 ADAERN CC[C@@H](NC=O)C1CCCC1 306722340 345573149 /nfs/dbraw/zinc/57/31/49/345573149.db2.gz QAURMZRNZHCVAP-SECBINFHSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H](c1oc(=O)[nH]c1N)C(C)(C)C 306722973 345573236 /nfs/dbraw/zinc/57/32/36/345573236.db2.gz GDIYVGORVBJSOA-RITPCOANSA-N 0 0 184.239 1.545 10 0 ADAERN C[C@@H](c1oc(=O)[nH]c1N)C(C)(C)C 306722971 345573304 /nfs/dbraw/zinc/57/33/04/345573304.db2.gz GDIYVGORVBJSOA-NTSWFWBYSA-N 0 0 184.239 1.545 10 0 ADAERN C[C@@H](c1oc(=O)[nH]c1N)C(C)(C)C 306722974 345573461 /nfs/dbraw/zinc/57/34/61/345573461.db2.gz GDIYVGORVBJSOA-WDSKDSINSA-N 0 0 184.239 1.545 10 0 ADAERN O=C(OC1CCOCC1)C1CCC1 306723346 345573735 /nfs/dbraw/zinc/57/37/35/345573735.db2.gz GVRBMQFIJTZCEI-UHFFFAOYSA-N 0 0 184.235 1.509 10 0 ADAERN Nc1cnc(CO)c(C(F)(F)F)c1 306723191 345573990 /nfs/dbraw/zinc/57/39/90/345573990.db2.gz RBLBDIXHSBCAJW-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN CCC1(C)CN(c2ncc[nH]2)C1 306723516 345574084 /nfs/dbraw/zinc/57/40/84/345574084.db2.gz SANRTKLHWAHNTB-UHFFFAOYSA-N 0 0 165.240 1.646 10 0 ADAERN CNC(=O)Nc1nnc(C2CC2)s1 306723284 345574101 /nfs/dbraw/zinc/57/41/01/345574101.db2.gz GTDHALFEQFKRPH-UHFFFAOYSA-N 0 0 198.251 1.167 10 0 ADAERN O=c1[nH]cccc1NCc1ncc[nH]1 306724369 345574414 /nfs/dbraw/zinc/57/44/14/345574414.db2.gz IPQLMYRBLDWBOD-UHFFFAOYSA-N 0 0 190.206 1.122 10 0 ADAERN Fc1ccnc(NC[C@H]2CCOC2)c1 306724187 345574429 /nfs/dbraw/zinc/57/44/29/345574429.db2.gz IHKCLVBYTPGHMG-MRVPVSSYSA-N 0 0 196.225 1.669 10 0 ADAERN OCCNc1ncc2ccsc2n1 306724114 345574448 /nfs/dbraw/zinc/57/44/48/345574448.db2.gz HZLFUCYDLTWIOX-UHFFFAOYSA-N 0 0 195.247 1.096 10 0 ADAERN Clc1nnc(-c2ccncn2)s1 306724408 345574500 /nfs/dbraw/zinc/57/45/00/345574500.db2.gz USGGHDUWNUQCGE-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN Cn1cc(-c2ccc(F)cc2N)nn1 306724200 345574842 /nfs/dbraw/zinc/57/48/42/345574842.db2.gz IICHSVOMIUKYBF-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cc1ccc(N)c(-c2cnn(C)n2)c1 306723896 345574921 /nfs/dbraw/zinc/57/49/21/345574921.db2.gz HTKZZZZQYPHGSN-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CCC1(Cn2cnccc2=O)CCC1 306723941 345574966 /nfs/dbraw/zinc/57/49/66/345574966.db2.gz HWZOYMQVEUXKQE-UHFFFAOYSA-N 0 0 192.262 1.824 10 0 ADAERN Fc1ccnc(NC[C@@H]2CCOC2)c1 306724188 345574973 /nfs/dbraw/zinc/57/49/73/345574973.db2.gz IHKCLVBYTPGHMG-QMMMGPOBSA-N 0 0 196.225 1.669 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 306724926 345575165 /nfs/dbraw/zinc/57/51/65/345575165.db2.gz VYFZWFMHCSXIHH-GRDBIXFFSA-N 0 0 179.263 1.557 10 0 ADAERN Oc1cccnc1NCc1ncc[nH]1 306724789 345575214 /nfs/dbraw/zinc/57/52/14/345575214.db2.gz JFOJZMRCKXVLQB-UHFFFAOYSA-N 0 0 190.206 1.122 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H]2C[C@H]21 306724927 345575399 /nfs/dbraw/zinc/57/53/99/345575399.db2.gz VYFZWFMHCSXIHH-JDDHQFAOSA-N 0 0 179.263 1.557 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H]1c1ccncn1 306725459 345575841 /nfs/dbraw/zinc/57/58/41/345575841.db2.gz XMEKXMDFFSROIZ-YUMQZZPRSA-N 0 0 176.219 1.559 10 0 ADAERN CC[C@H]1C(=O)C[C@H]1c1ccncn1 306725456 345575911 /nfs/dbraw/zinc/57/59/11/345575911.db2.gz XMEKXMDFFSROIZ-HTQZYQBOSA-N 0 0 176.219 1.559 10 0 ADAERN CC[S@](=O)Nc1ccc(NC)cc1 306725310 345575915 /nfs/dbraw/zinc/57/59/15/345575915.db2.gz WVWRNHXLNFRXIA-ZDUSSCGKSA-N 0 0 198.291 1.824 10 0 ADAERN Cc1ccc(N[C@H](C)CO)cc1F 306725751 345575941 /nfs/dbraw/zinc/57/59/41/345575941.db2.gz LBXBDRPNWCOFTG-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1ccc(N[C@@H](C)CO)cc1F 306725752 345575979 /nfs/dbraw/zinc/57/59/79/345575979.db2.gz LBXBDRPNWCOFTG-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN CC[S@@](=O)Nc1ccc(NC)cc1 306725309 345576011 /nfs/dbraw/zinc/57/60/11/345576011.db2.gz WVWRNHXLNFRXIA-CYBMUJFWSA-N 0 0 198.291 1.824 10 0 ADAERN CCC1(Cn2nnc(N)c2C)CCC1 306725352 345576144 /nfs/dbraw/zinc/57/61/44/345576144.db2.gz KHDOSJGBBWZQPM-UHFFFAOYSA-N 0 0 194.282 1.749 10 0 ADAERN N[C@@H](c1ccsn1)C(F)(F)F 306725688 345576162 /nfs/dbraw/zinc/57/61/62/345576162.db2.gz YAHBDLVEWOQEPW-BYPYZUCNSA-N 0 0 182.170 1.705 10 0 ADAERN CC[C@H]1C(=O)C[C@@H]1c1ccncn1 306725458 345576179 /nfs/dbraw/zinc/57/61/79/345576179.db2.gz XMEKXMDFFSROIZ-SFYZADRCSA-N 0 0 176.219 1.559 10 0 ADAERN Clc1nsc(-c2ccncn2)n1 306725403 345576275 /nfs/dbraw/zinc/57/62/75/345576275.db2.gz XDVBUQNIASRZBW-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H]1CC(C)C 306770548 345604054 /nfs/dbraw/zinc/60/40/54/345604054.db2.gz QQDNNDGFZRUJIZ-DTWKUNHWSA-N 0 0 155.241 1.557 10 0 ADAERN N[C@H](c1ccsn1)C(F)(F)F 306725689 345576329 /nfs/dbraw/zinc/57/63/29/345576329.db2.gz YAHBDLVEWOQEPW-SCSAIBSYSA-N 0 0 182.170 1.705 10 0 ADAERN Cc1cc(NCC[C@H](C)F)ncn1 306726116 345576378 /nfs/dbraw/zinc/57/63/78/345576378.db2.gz LRGXTNAFKBYEAG-ZETCQYMHSA-N 0 0 183.230 1.945 10 0 ADAERN CS[C@@H]1CCCN(c2ncc[nH]2)C1 306726404 345576425 /nfs/dbraw/zinc/57/64/25/345576425.db2.gz ZGJPKUABWJRKIH-MRVPVSSYSA-N 0 0 197.307 1.742 10 0 ADAERN Cc1ccc([C@@H]([NH3+])C2CC2)nn1 306726663 345576476 /nfs/dbraw/zinc/57/64/76/345576476.db2.gz ZZGRYRGKZQUIFW-VIFPVBQESA-N 0 0 163.224 1.195 10 0 ADAERN Cc1cnnc(N[C@H](C)C(F)F)c1 306726434 345576547 /nfs/dbraw/zinc/57/65/47/345576547.db2.gz ZHNCDCQJKDTTDK-ZCFIWIBFSA-N 0 0 187.193 1.851 10 0 ADAERN Cc1ccc([C@H]([NH3+])C2CC2)nn1 306726662 345576626 /nfs/dbraw/zinc/57/66/26/345576626.db2.gz ZZGRYRGKZQUIFW-SECBINFHSA-N 0 0 163.224 1.195 10 0 ADAERN Cc1cocc1C(=O)CC1OCCO1 306726822 345576632 /nfs/dbraw/zinc/57/66/32/345576632.db2.gz ANRNYFFLSPQHOV-UHFFFAOYSA-N 0 0 196.202 1.534 10 0 ADAERN Cc1ccc([C@H]([NH3+])C2CCC2)nn1 306726586 345576663 /nfs/dbraw/zinc/57/66/63/345576663.db2.gz ZLCNDASAAMVHHY-SNVBAGLBSA-N 0 0 177.251 1.585 10 0 ADAERN CS[C@H]1CCCN(c2ncc[nH]2)C1 306726406 345576761 /nfs/dbraw/zinc/57/67/61/345576761.db2.gz ZGJPKUABWJRKIH-QMMMGPOBSA-N 0 0 197.307 1.742 10 0 ADAERN CC(C)OCc1noc(Cl)n1 306726810 345576798 /nfs/dbraw/zinc/57/67/98/345576798.db2.gz ANNMDQKZSGBMSL-UHFFFAOYSA-N 0 0 176.603 1.648 10 0 ADAERN C[C@@H]1C[C@](N)(C(F)(F)F)[C@@H](C)O1 306781682 345610111 /nfs/dbraw/zinc/61/01/11/345610111.db2.gz FIPCUYIKERRALY-HSUXUTPPSA-N 0 0 183.173 1.444 10 0 ADAERN Cc1cc(NCC[C@@H](C)F)ncn1 306726115 345576930 /nfs/dbraw/zinc/57/69/30/345576930.db2.gz LRGXTNAFKBYEAG-SSDOTTSWSA-N 0 0 183.230 1.945 10 0 ADAERN Cc1cnnc(N[C@@H](C)C(F)F)c1 306726432 345576938 /nfs/dbraw/zinc/57/69/38/345576938.db2.gz ZHNCDCQJKDTTDK-LURJTMIESA-N 0 0 187.193 1.851 10 0 ADAERN Cc1ccc([C@@H]([NH3+])C2CCC2)nn1 306726486 345576956 /nfs/dbraw/zinc/57/69/56/345576956.db2.gz ZLCNDASAAMVHHY-JTQLQIEISA-N 0 0 177.251 1.585 10 0 ADAERN C[C@@H]1SCC[C@@]12CNC(=O)[C@@H]2C 306727777 345577075 /nfs/dbraw/zinc/57/70/75/345577075.db2.gz AZCUDYYGIBMJHQ-ZKWXMUAHSA-N 0 0 185.292 1.264 10 0 ADAERN C[C@@H](c1cccn1C)N1CCOCC1 306727332 345577099 /nfs/dbraw/zinc/57/70/99/345577099.db2.gz JFNDRZJNAHQNTE-JTQLQIEISA-N 0 0 194.278 1.418 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCCSC1 306727894 345577184 /nfs/dbraw/zinc/57/71/84/345577184.db2.gz BFZZZLAVZBPAIM-YIZRAAEISA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1SCC[C@@]12CNC(=O)[C@H]2C 306727776 345577328 /nfs/dbraw/zinc/57/73/28/345577328.db2.gz AZCUDYYGIBMJHQ-FJXKBIBVSA-N 0 0 185.292 1.264 10 0 ADAERN C[C@@H]1SCC[C@]12CNC(=O)[C@@H]2C 306727515 345577407 /nfs/dbraw/zinc/57/74/07/345577407.db2.gz AZCUDYYGIBMJHQ-ACLDMZEESA-N 0 0 185.292 1.264 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCCSC1 306727893 345577492 /nfs/dbraw/zinc/57/74/92/345577492.db2.gz BFZZZLAVZBPAIM-CIUDSAMLSA-N 0 0 199.319 1.654 10 0 ADAERN CSCCC(=O)Nc1ccnn1C 306728315 345577715 /nfs/dbraw/zinc/57/77/15/345577715.db2.gz NMGZOAUGLKHPBA-UHFFFAOYSA-N 0 0 199.279 1.112 10 0 ADAERN COc1cc(NCCF)ccc1N 306728017 345577750 /nfs/dbraw/zinc/57/77/50/345577750.db2.gz NEJBLMNAWMZMAX-UHFFFAOYSA-N 0 0 184.214 1.659 10 0 ADAERN C[C@H]1CSC[C@@H]1NC(=O)[C@@H]1C[C@H]1C 306728182 345577761 /nfs/dbraw/zinc/57/77/61/345577761.db2.gz BMMRNOOCRCATAK-XAVMHZPKSA-N 0 0 199.319 1.510 10 0 ADAERN C[C@H]1CSC[C@H]1NC(=O)[C@@H]1C[C@H]1C 306728180 345577790 /nfs/dbraw/zinc/57/77/90/345577790.db2.gz BMMRNOOCRCATAK-BZNPZCIMSA-N 0 0 199.319 1.510 10 0 ADAERN CC[C@@H]1C[C@H]1[C@H](O)C1CCOCC1 306728028 345577825 /nfs/dbraw/zinc/57/78/25/345577825.db2.gz JPHODPNWZCSCNO-FBIMIBRVSA-N 0 0 184.279 1.820 10 0 ADAERN C[C@@H]1CSC[C@H]1NC(=O)[C@@H]1C[C@H]1C 306728181 345578080 /nfs/dbraw/zinc/57/80/80/345578080.db2.gz BMMRNOOCRCATAK-FNCVBFRFSA-N 0 0 199.319 1.510 10 0 ADAERN Cn1cc(NC2COC2)c(C2CC2)n1 306728263 345578171 /nfs/dbraw/zinc/57/81/71/345578171.db2.gz NFBIODZYQPKSHR-UHFFFAOYSA-N 0 0 193.250 1.108 10 0 ADAERN C[S@@](=O)Nc1ccc(F)cc1O 306728974 345578328 /nfs/dbraw/zinc/57/83/28/345578328.db2.gz KHXWJMQTGXJQHY-GFCCVEGCSA-N 0 0 189.211 1.237 10 0 ADAERN COC(=O)[C@@]1(C2CC2)CCC=CO1 306729290 345578414 /nfs/dbraw/zinc/57/84/14/345578414.db2.gz OPBUZZIDSOHZQP-JTQLQIEISA-N 0 0 182.219 1.632 10 0 ADAERN COC(=O)[C@]1(C2CC2)CCC=CO1 306729291 345578531 /nfs/dbraw/zinc/57/85/31/345578531.db2.gz OPBUZZIDSOHZQP-SNVBAGLBSA-N 0 0 182.219 1.632 10 0 ADAERN C[S@](=O)Nc1ccc(F)cc1O 306728976 345578546 /nfs/dbraw/zinc/57/85/46/345578546.db2.gz KHXWJMQTGXJQHY-LBPRGKRZSA-N 0 0 189.211 1.237 10 0 ADAERN C(=C/C1CC1)\CNc1cccnn1 306729043 345578681 /nfs/dbraw/zinc/57/86/81/345578681.db2.gz OEVTXZPIMDAPMZ-HNQUOIGGSA-N 0 0 175.235 1.855 10 0 ADAERN CC1(C)[C@@H](O)CCN1C(=O)CC1CC1 306729681 345578712 /nfs/dbraw/zinc/57/87/12/345578712.db2.gz OTANYMKXBOXIRS-VIFPVBQESA-N 0 0 197.278 1.158 10 0 ADAERN C=CC(=O)NC1CC(C)(C)C1 306791386 345617639 /nfs/dbraw/zinc/61/76/39/345617639.db2.gz XNILASUECBNNHY-UHFFFAOYSA-N 0 0 153.225 1.477 10 0 ADAERN CC(C)[C@H](C)[C@@H](O)c1cccnc1N 306729718 345579087 /nfs/dbraw/zinc/57/90/87/345579087.db2.gz OUTRRRLLFDSBOD-WCBMZHEXSA-N 0 0 194.278 1.989 10 0 ADAERN C[C@H]1CSC[C@@]1(O)Cc1ccco1 306730097 345579129 /nfs/dbraw/zinc/57/91/29/345579129.db2.gz PGFXYEUIJMKVNF-WPRPVWTQSA-N 0 0 198.287 1.936 10 0 ADAERN Cn1ncc([C@@H]2CCCCC(=O)C2)n1 306730542 345579183 /nfs/dbraw/zinc/57/91/83/345579183.db2.gz POCGPHCGCRYJNP-MRVPVSSYSA-N 0 0 193.250 1.432 10 0 ADAERN CCC1(Cn2ccn(C)c2=O)CCC1 306730081 345579243 /nfs/dbraw/zinc/57/92/43/345579243.db2.gz PEGFVDXTOPHBHQ-UHFFFAOYSA-N 0 0 194.278 1.767 10 0 ADAERN Cn1ncc([C@H]2CCCCC(=O)C2)n1 306730544 345579249 /nfs/dbraw/zinc/57/92/49/345579249.db2.gz POCGPHCGCRYJNP-QMMMGPOBSA-N 0 0 193.250 1.432 10 0 ADAERN CC(C)[C@H](C)[C@H](O)c1cccnc1N 306729719 345579252 /nfs/dbraw/zinc/57/92/52/345579252.db2.gz OUTRRRLLFDSBOD-WPRPVWTQSA-N 0 0 194.278 1.989 10 0 ADAERN CC(C)[C@@H](C)[C@H](O)c1cccnc1N 306729717 345579267 /nfs/dbraw/zinc/57/92/67/345579267.db2.gz OUTRRRLLFDSBOD-SCZZXKLOSA-N 0 0 194.278 1.989 10 0 ADAERN C[C@H]1CSC[C@]1(O)Cc1ccco1 306730096 345579277 /nfs/dbraw/zinc/57/92/77/345579277.db2.gz PGFXYEUIJMKVNF-WCBMZHEXSA-N 0 0 198.287 1.936 10 0 ADAERN CCC(CC)CN[S@@](C)=O 306729929 345579279 /nfs/dbraw/zinc/57/92/79/345579279.db2.gz KWNAETKMSQMOGE-SNVBAGLBSA-N 0 0 163.286 1.306 10 0 ADAERN C[C@@H]1CSC[C@]1(O)Cc1ccco1 306730094 345579299 /nfs/dbraw/zinc/57/92/99/345579299.db2.gz PGFXYEUIJMKVNF-PSASIEDQSA-N 0 0 198.287 1.936 10 0 ADAERN CC(C)[C@@H](C)[C@@H](O)c1cccnc1N 306729716 345579321 /nfs/dbraw/zinc/57/93/21/345579321.db2.gz OUTRRRLLFDSBOD-PSASIEDQSA-N 0 0 194.278 1.989 10 0 ADAERN C[C@@H]1CSC[C@@]1(O)Cc1ccco1 306730095 345579364 /nfs/dbraw/zinc/57/93/64/345579364.db2.gz PGFXYEUIJMKVNF-SCZZXKLOSA-N 0 0 198.287 1.936 10 0 ADAERN CCC(CC)CN[S@](C)=O 306729928 345579405 /nfs/dbraw/zinc/57/94/05/345579405.db2.gz KWNAETKMSQMOGE-JTQLQIEISA-N 0 0 163.286 1.306 10 0 ADAERN C[C@@H](C(F)F)n1cc[nH]c1=S 306731056 345579473 /nfs/dbraw/zinc/57/94/73/345579473.db2.gz FVCYTDIHOOIOKR-BYPYZUCNSA-N 0 0 178.207 1.998 10 0 ADAERN Cc1cnc([C@H]2CC(=O)N[C@H]2C)s1 306730903 345579481 /nfs/dbraw/zinc/57/94/81/345579481.db2.gz LLRJONOYLFPXFK-BQBZGAKWSA-N 0 0 196.275 1.444 10 0 ADAERN CCc1noc([C@@H]2C[C@H](F)CN2)n1 306731237 345579565 /nfs/dbraw/zinc/57/95/65/345579565.db2.gz FXYGZNPPTDXLGE-WDSKDSINSA-N 0 0 185.202 1.005 10 0 ADAERN Cc1cscc1N1CN=NC1=S 306730925 345579581 /nfs/dbraw/zinc/57/95/81/345579581.db2.gz FODYHGFFUWISBA-UHFFFAOYSA-N 0 0 197.288 1.926 10 0 ADAERN C[C@@H](NC#N)C(F)(F)F 306731266 345579631 /nfs/dbraw/zinc/57/96/31/345579631.db2.gz FZAXHVDCYBBCEN-GSVOUGTGSA-N 0 0 138.092 1.008 10 0 ADAERN Cn1ncc(-c2cc(F)ccc2N)n1 306730747 345579677 /nfs/dbraw/zinc/57/96/77/345579677.db2.gz PTUWGKMMRNRXPU-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN Cc1cnc([C@@H]2CC(=O)N[C@H]2C)s1 306730904 345579689 /nfs/dbraw/zinc/57/96/89/345579689.db2.gz LLRJONOYLFPXFK-NKWVEPMBSA-N 0 0 196.275 1.444 10 0 ADAERN Cc1cnc([C@H]2CC(=O)N[C@@H]2C)s1 306730906 345579693 /nfs/dbraw/zinc/57/96/93/345579693.db2.gz LLRJONOYLFPXFK-RQJHMYQMSA-N 0 0 196.275 1.444 10 0 ADAERN CCc1noc([C@H]2C[C@@H](F)CN2)n1 306731234 345579700 /nfs/dbraw/zinc/57/97/00/345579700.db2.gz FXYGZNPPTDXLGE-PHDIDXHHSA-N 0 0 185.202 1.005 10 0 ADAERN CCc1noc([C@@H]2C[C@@H](F)CN2)n1 306731236 345579715 /nfs/dbraw/zinc/57/97/15/345579715.db2.gz FXYGZNPPTDXLGE-RITPCOANSA-N 0 0 185.202 1.005 10 0 ADAERN Cc1cnc([C@@H]2CC(=O)N[C@@H]2C)s1 306730905 345579732 /nfs/dbraw/zinc/57/97/32/345579732.db2.gz LLRJONOYLFPXFK-RNFRBKRXSA-N 0 0 196.275 1.444 10 0 ADAERN C[C@H](C(F)F)n1cc[nH]c1=S 306731057 345579836 /nfs/dbraw/zinc/57/98/36/345579836.db2.gz FVCYTDIHOOIOKR-SCSAIBSYSA-N 0 0 178.207 1.998 10 0 ADAERN Cc1cnnc(N[C@H]2CC[C@@H]2C)c1 306731333 345580226 /nfs/dbraw/zinc/58/02/26/345580226.db2.gz LPFCXTSEDNPMJT-IUCAKERBSA-N 0 0 177.251 1.995 10 0 ADAERN Cn1cc(C(=O)C2(C)CCCC2)nn1 306731735 345580263 /nfs/dbraw/zinc/58/02/63/345580263.db2.gz QYXKZEIENMGKHZ-UHFFFAOYSA-N 0 0 193.250 1.578 10 0 ADAERN O=c1cccnn1CC=C1CCC1 306731355 345580293 /nfs/dbraw/zinc/58/02/93/345580293.db2.gz QQWVYXUFIAAASZ-UHFFFAOYSA-N 0 0 176.219 1.354 10 0 ADAERN Cc1cnnc(N[C@@H]2CC[C@@H]2C)c1 306731331 345580300 /nfs/dbraw/zinc/58/03/00/345580300.db2.gz LPFCXTSEDNPMJT-DTWKUNHWSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cc(CNN)c(F)cc1F 306731606 345580317 /nfs/dbraw/zinc/58/03/17/345580317.db2.gz LSHOOLYWWPCZRU-UHFFFAOYSA-N 0 0 172.178 1.237 10 0 ADAERN C[C@H]1CCCC[C@]1(O)c1cnn(C)n1 306731575 345580345 /nfs/dbraw/zinc/58/03/45/345580345.db2.gz QTZLJXBAZHZKGE-WCBMZHEXSA-N 0 0 195.266 1.213 10 0 ADAERN C[C@H](NC#N)C(F)(F)F 306731267 345580363 /nfs/dbraw/zinc/58/03/63/345580363.db2.gz FZAXHVDCYBBCEN-VKHMYHEASA-N 0 0 138.092 1.008 10 0 ADAERN CNc1nc(-c2ncno2)cs1 306731324 345580381 /nfs/dbraw/zinc/58/03/81/345580381.db2.gz GEJVDDJEJRVWOM-UHFFFAOYSA-N 0 0 182.208 1.235 10 0 ADAERN Cc1cnnc(N[C@H]2CC[C@H]2C)c1 306731327 345580383 /nfs/dbraw/zinc/58/03/83/345580383.db2.gz LPFCXTSEDNPMJT-BDAKNGLRSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1c[nH]c(N2CCC3(CC3)C2)n1 306731638 345580399 /nfs/dbraw/zinc/58/03/99/345580399.db2.gz LUCURBZQHWWPJO-UHFFFAOYSA-N 0 0 177.251 1.708 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CO 306732433 345580521 /nfs/dbraw/zinc/58/05/21/345580521.db2.gz SAKMDAPUADXUKB-VGMNWLOBSA-N 0 0 186.251 1.347 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@@H]1C[C@H](C)[C@@H]1C 306731888 345580532 /nfs/dbraw/zinc/58/05/32/345580532.db2.gz LZCBVPBERGWWCR-AXTSPUMRSA-N 0 0 196.294 1.199 10 0 ADAERN O=C(Nc1ccncc1)N1CCC1 306732362 345580649 /nfs/dbraw/zinc/58/06/49/345580649.db2.gz RVIJBWPHBPVKRG-UHFFFAOYSA-N 0 0 177.207 1.319 10 0 ADAERN CCNC(=O)[C@H]1C[C@H]1CC 306732460 345580654 /nfs/dbraw/zinc/58/06/54/345580654.db2.gz HCSFFIMATOWFDZ-RQJHMYQMSA-N 0 0 141.214 1.169 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@H](OC(=O)CO)C1 306732431 345580764 /nfs/dbraw/zinc/58/07/64/345580764.db2.gz SAKMDAPUADXUKB-IWSPIJDZSA-N 0 0 186.251 1.347 10 0 ADAERN O=C(c1cc2c(s1)CCC2)N1CC1 306732260 345580851 /nfs/dbraw/zinc/58/08/51/345580851.db2.gz RPHQXZQBAKZCME-UHFFFAOYSA-N 0 0 193.271 1.693 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@H](OC(=O)CO)C1 306732428 345580878 /nfs/dbraw/zinc/58/08/78/345580878.db2.gz SAKMDAPUADXUKB-HLTSFMKQSA-N 0 0 186.251 1.347 10 0 ADAERN CCNC(=O)[C@@H]1C[C@@H]1CC 306732458 345580926 /nfs/dbraw/zinc/58/09/26/345580926.db2.gz HCSFFIMATOWFDZ-NKWVEPMBSA-N 0 0 141.214 1.169 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@@H]1C[C@H](C)[C@H]1C 306731889 345580933 /nfs/dbraw/zinc/58/09/33/345580933.db2.gz LZCBVPBERGWWCR-SGIHWFKDSA-N 0 0 196.294 1.199 10 0 ADAERN CC[C@@H]1NCC(=O)N1[C@@H]1C[C@@H](C)[C@H]1C 306731891 345580948 /nfs/dbraw/zinc/58/09/48/345580948.db2.gz LZCBVPBERGWWCR-ZYUZMQFOSA-N 0 0 196.294 1.199 10 0 ADAERN C[C@@H](NC(N)=S)[C@H]1CC1(C)C 306798407 345622128 /nfs/dbraw/zinc/62/21/28/345622128.db2.gz CHILGPJVYOMSNZ-PHDIDXHHSA-N 0 0 172.297 1.254 10 0 ADAERN Cc1cc([C@@H]2COCC(=O)N2)cs1 306732554 345581121 /nfs/dbraw/zinc/58/11/21/345581121.db2.gz HINIOSPITXOMEY-QMMMGPOBSA-N 0 0 197.259 1.244 10 0 ADAERN Cc1cc([C@H]2COCC(=O)N2)cs1 306732553 345581218 /nfs/dbraw/zinc/58/12/18/345581218.db2.gz HINIOSPITXOMEY-MRVPVSSYSA-N 0 0 197.259 1.244 10 0 ADAERN CNC(=O)N(C)C1CC(C)(C)C1 306733117 345581307 /nfs/dbraw/zinc/58/13/07/345581307.db2.gz ICHKRTADEGRMOJ-UHFFFAOYSA-N 0 0 170.256 1.446 10 0 ADAERN COC[C@H](O)c1ccc2c(c1)OCC2 306734301 345581502 /nfs/dbraw/zinc/58/15/02/345581502.db2.gz URBJASWJSPFDAJ-JTQLQIEISA-N 0 0 194.230 1.301 10 0 ADAERN CC[C@@H](NN)C1CC(F)(F)C1 306734098 345581537 /nfs/dbraw/zinc/58/15/37/345581537.db2.gz NUFWHTQKWQQLAM-ZCFIWIBFSA-N 0 0 164.199 1.274 10 0 ADAERN C[C@H](Nc1ncccn1)C(F)F 306734165 345581553 /nfs/dbraw/zinc/58/15/53/345581553.db2.gz NUGAHDKUVMYNDZ-YFKPBYRVSA-N 0 0 173.166 1.542 10 0 ADAERN CCn1c([C@@H](C)C(C)C)c(N)[nH]c1=O 306733653 345581568 /nfs/dbraw/zinc/58/15/68/345581568.db2.gz TYECKXNRGJCDOV-JGVFFNPUSA-N 0 0 197.282 1.460 10 0 ADAERN CCn1c([C@H](C)C(C)C)c(N)[nH]c1=O 306733652 345581588 /nfs/dbraw/zinc/58/15/88/345581588.db2.gz TYECKXNRGJCDOV-HTQZYQBOSA-N 0 0 197.282 1.460 10 0 ADAERN CCn1c([C@@H](C)C(C)C)c(N)[nH]c1=O 306733655 345581916 /nfs/dbraw/zinc/58/19/16/345581916.db2.gz TYECKXNRGJCDOV-YUMQZZPRSA-N 0 0 197.282 1.460 10 0 ADAERN CCC[C@H]1CCCN1C(N)=O 306733777 345581661 /nfs/dbraw/zinc/58/16/61/345581661.db2.gz NMKWWIMRNNHGJV-ZETCQYMHSA-N 0 0 156.229 1.330 10 0 ADAERN CN1c2cnccc2NC(=O)C1(C)C 306733643 345581673 /nfs/dbraw/zinc/58/16/73/345581673.db2.gz TXBKHPVACPELQV-UHFFFAOYSA-N 0 0 191.234 1.249 10 0 ADAERN Cn1cccc1C(=O)OC1CCC1 306734324 345581691 /nfs/dbraw/zinc/58/16/91/345581691.db2.gz USNHCLVEVHDOEX-UHFFFAOYSA-N 0 0 179.219 1.734 10 0 ADAERN C[C@@H](Nc1ncccn1)C(F)F 306734164 345581811 /nfs/dbraw/zinc/58/18/11/345581811.db2.gz NUGAHDKUVMYNDZ-RXMQYKEDSA-N 0 0 173.166 1.542 10 0 ADAERN Cn1cnc(C(=O)[C@H]2CCSC2)c1 306734152 345581836 /nfs/dbraw/zinc/58/18/36/345581836.db2.gz ULFHUMOXYLOIPG-ZETCQYMHSA-N 0 0 196.275 1.356 10 0 ADAERN Cn1cnc(C(=O)[C@@H]2CCSC2)c1 306734151 345581960 /nfs/dbraw/zinc/58/19/60/345581960.db2.gz ULFHUMOXYLOIPG-SSDOTTSWSA-N 0 0 196.275 1.356 10 0 ADAERN CCn1c([C@H](C)C(C)C)c(N)[nH]c1=O 306733654 345581965 /nfs/dbraw/zinc/58/19/65/345581965.db2.gz TYECKXNRGJCDOV-SFYZADRCSA-N 0 0 197.282 1.460 10 0 ADAERN CC[C@H](NN)C1CC(F)(F)C1 306734097 345581976 /nfs/dbraw/zinc/58/19/76/345581976.db2.gz NUFWHTQKWQQLAM-LURJTMIESA-N 0 0 164.199 1.274 10 0 ADAERN CCC[C@@H]1CCCN1C(N)=O 306733776 345581981 /nfs/dbraw/zinc/58/19/81/345581981.db2.gz NMKWWIMRNNHGJV-SSDOTTSWSA-N 0 0 156.229 1.330 10 0 ADAERN COC[C@@H](O)c1ccc2c(c1)OCC2 306734302 345582008 /nfs/dbraw/zinc/58/20/08/345582008.db2.gz URBJASWJSPFDAJ-SNVBAGLBSA-N 0 0 194.230 1.301 10 0 ADAERN O=C(/C=C/C1CC1)Nc1ccon1 306733970 345582016 /nfs/dbraw/zinc/58/20/16/345582016.db2.gz UCKKTOSEKHFNAW-ONEGZZNKSA-N 0 0 178.191 1.579 10 0 ADAERN CNc1cc(C)c(C(=O)[O-])c(C)[nH+]1 306735066 345582135 /nfs/dbraw/zinc/58/21/35/345582135.db2.gz OZSWPRISUXCZHB-UHFFFAOYSA-N 0 0 180.207 1.438 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H]1C(C)C 306806143 345626135 /nfs/dbraw/zinc/62/61/35/345626135.db2.gz IUKLHXYCVMHLDW-NKWVEPMBSA-N 0 0 141.214 1.167 10 0 ADAERN C[NH2+]C1CCC2(CC1)C[C@H]2C(=O)[O-] 306734796 345582232 /nfs/dbraw/zinc/58/22/32/345582232.db2.gz VENVQSWMKGZHHU-ZCUBBSJVSA-N 0 0 183.251 1.239 10 0 ADAERN O[C@H]1CCCC[C@H]1Sc1c[nH]nn1 306734828 345582237 /nfs/dbraw/zinc/58/22/37/345582237.db2.gz VHTJNXAXJJQVJR-NKWVEPMBSA-N 0 0 199.279 1.200 10 0 ADAERN CN1CC(=O)Nc2cncc(Cl)c21 306734600 345582519 /nfs/dbraw/zinc/58/25/19/345582519.db2.gz UYRWVXSHBKTONU-UHFFFAOYSA-N 0 0 197.625 1.123 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Sc1c[nH]nn1 306734830 345582563 /nfs/dbraw/zinc/58/25/63/345582563.db2.gz VHTJNXAXJJQVJR-RQJHMYQMSA-N 0 0 199.279 1.200 10 0 ADAERN O[C@H]1CCCC[C@@H]1Sc1c[nH]nn1 306734827 345582572 /nfs/dbraw/zinc/58/25/72/345582572.db2.gz VHTJNXAXJJQVJR-BQBZGAKWSA-N 0 0 199.279 1.200 10 0 ADAERN c1nc2c(n1C1CCCC1)C[NH2+]CC2 306735639 345583085 /nfs/dbraw/zinc/58/30/85/345583085.db2.gz WHXBLAQAVJYZTI-UHFFFAOYSA-N 0 0 191.278 1.644 10 0 ADAERN CCn1ncnc1[C@H]1CCCC(=O)C1 306735684 345583429 /nfs/dbraw/zinc/58/34/29/345583429.db2.gz WLYZOUSYCGELEB-QMMMGPOBSA-N 0 0 193.250 1.525 10 0 ADAERN Cn1cnc(-c2cncc(N)c2)c1 306735403 345583435 /nfs/dbraw/zinc/58/34/35/345583435.db2.gz WAQPPRYMFVDZJM-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Oc1cnc(NCC2CCCC2)nc1 306735447 345583496 /nfs/dbraw/zinc/58/34/96/345583496.db2.gz WDHCNKNIPKSOGB-UHFFFAOYSA-N 0 0 193.250 1.784 10 0 ADAERN Cn1ccc(CNc2ncco2)c1 306736542 345583656 /nfs/dbraw/zinc/58/36/56/345583656.db2.gz XOKSPVGKMYVYOR-UHFFFAOYSA-N 0 0 177.207 1.625 10 0 ADAERN S=c1[nH]c(-c2ccncn2)co1 306736885 345583663 /nfs/dbraw/zinc/58/36/63/345583663.db2.gz QSPZUAIZWTVNTH-UHFFFAOYSA-N 0 0 179.204 1.420 10 0 ADAERN O=C(c1cccc(Cl)c1F)N1CC1 306736880 345583710 /nfs/dbraw/zinc/58/37/10/345583710.db2.gz YCDIZHIZTXSQKF-UHFFFAOYSA-N 0 0 199.612 1.935 10 0 ADAERN CC[C@H](NN)c1ccc2c(c1)OCC2 306736357 345583717 /nfs/dbraw/zinc/58/37/17/345583717.db2.gz XLOCCECOFGVNRD-JTQLQIEISA-N 0 0 192.262 1.536 10 0 ADAERN FC(F)c1nnc(C2=COCC2)o1 306737007 345583727 /nfs/dbraw/zinc/58/37/27/345583727.db2.gz YGLJFNCDGWHZST-UHFFFAOYSA-N 0 0 188.133 1.768 10 0 ADAERN CC[C@@H](NN)c1ccc2c(c1)OCC2 306736402 345583796 /nfs/dbraw/zinc/58/37/96/345583796.db2.gz XLOCCECOFGVNRD-SNVBAGLBSA-N 0 0 192.262 1.536 10 0 ADAERN Nc1ccccc1C(=O)N1CC=CC1 306736838 345583808 /nfs/dbraw/zinc/58/38/08/345583808.db2.gz XYPVFWPQEVJQFI-UHFFFAOYSA-N 0 0 188.230 1.281 10 0 ADAERN Fc1cnccc1NCc1cocn1 306736310 345583875 /nfs/dbraw/zinc/58/38/75/345583875.db2.gz XIULOPYBFNASCN-UHFFFAOYSA-N 0 0 193.181 1.821 10 0 ADAERN CSC1(C(=O)Nc2ncc[nH]2)CC1 306737292 345584018 /nfs/dbraw/zinc/58/40/18/345584018.db2.gz YUYKBOMBNVUZFS-UHFFFAOYSA-N 0 0 197.263 1.244 10 0 ADAERN O=C(c1cccs1)[C@@H]1[C@H]2COC[C@H]21 306737153 345584044 /nfs/dbraw/zinc/58/40/44/345584044.db2.gz RCDTWFHARYMRSN-QMSLJYSESA-N 0 0 194.255 1.823 10 0 ADAERN O[C@@H]1CCC[C@H](Nc2ncccn2)C1 306737622 345584111 /nfs/dbraw/zinc/58/41/11/345584111.db2.gz ZEXQTFHRSQQGNH-DTWKUNHWSA-N 0 0 193.250 1.192 10 0 ADAERN C[C@H](Nc1cccnn1)C(F)(F)F 306737579 345584153 /nfs/dbraw/zinc/58/41/53/345584153.db2.gz RLKAUDSDFQPCMF-YFKPBYRVSA-N 0 0 191.156 1.839 10 0 ADAERN O[C@H]1CCC[C@H](Nc2ncccn2)C1 306737623 345584229 /nfs/dbraw/zinc/58/42/29/345584229.db2.gz ZEXQTFHRSQQGNH-IUCAKERBSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@@H]1CCC[C@@H](Nc2ncccn2)C1 306737624 345584258 /nfs/dbraw/zinc/58/42/58/345584258.db2.gz ZEXQTFHRSQQGNH-RKDXNWHRSA-N 0 0 193.250 1.192 10 0 ADAERN C[C@@H](Nc1cccnn1)C(F)(F)F 306737577 345584271 /nfs/dbraw/zinc/58/42/71/345584271.db2.gz RLKAUDSDFQPCMF-RXMQYKEDSA-N 0 0 191.156 1.839 10 0 ADAERN O[C@H]1CCC[C@@H](Nc2ncccn2)C1 306737621 345584288 /nfs/dbraw/zinc/58/42/88/345584288.db2.gz ZEXQTFHRSQQGNH-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN O=C(Cc1ccccc1F)N1CC1 306737045 345584346 /nfs/dbraw/zinc/58/43/46/345584346.db2.gz YKSOAFALAWERQD-UHFFFAOYSA-N 0 0 179.194 1.210 10 0 ADAERN CC(=O)O[C@@H]1[C@H]2CCO[C@H]2C1(C)C 306738129 345584771 /nfs/dbraw/zinc/58/47/71/345584771.db2.gz AHTNHLGMJQGPDY-DJLDLDEBSA-N 0 0 184.235 1.363 10 0 ADAERN CC(=O)O[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 306738141 345584823 /nfs/dbraw/zinc/58/48/23/345584823.db2.gz AHTNHLGMJQGPDY-IWSPIJDZSA-N 0 0 184.235 1.363 10 0 ADAERN Cc1ccnc(C)c1-n1ccc(N)n1 306737999 345584914 /nfs/dbraw/zinc/58/49/14/345584914.db2.gz ADVRQXVTTMPWSZ-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 306738134 345584957 /nfs/dbraw/zinc/58/49/57/345584957.db2.gz AHTNHLGMJQGPDY-HRDYMLBCSA-N 0 0 184.235 1.363 10 0 ADAERN CC[S@@](=O)Nc1ccc(C)c(O)c1 306738815 345585036 /nfs/dbraw/zinc/58/50/36/345585036.db2.gz JAJWCAILLMNVGC-CYBMUJFWSA-N 0 0 199.275 1.796 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]12CCCSC2 306738228 345585093 /nfs/dbraw/zinc/58/50/93/345585093.db2.gz AIKKWLNARRDDSK-NRPADANISA-N 0 0 199.319 1.654 10 0 ADAERN O=C1N[C@@H](C2CCC2)C12CCCC2 306738298 345585132 /nfs/dbraw/zinc/58/51/32/345585132.db2.gz AEJMRQALMVHOCB-VIFPVBQESA-N 0 0 179.263 1.845 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@]12CCCSC2 306738223 345585151 /nfs/dbraw/zinc/58/51/51/345585151.db2.gz AIKKWLNARRDDSK-KHQFGBGNSA-N 0 0 199.319 1.654 10 0 ADAERN O=C1N[C@H](C2CCC2)C12CCCC2 306738295 345585168 /nfs/dbraw/zinc/58/51/68/345585168.db2.gz AEJMRQALMVHOCB-SECBINFHSA-N 0 0 179.263 1.845 10 0 ADAERN c1c[nH]c(N2C3CCC2CC3)n1 306738741 345585186 /nfs/dbraw/zinc/58/51/86/345585186.db2.gz ITIRSESJRZLCDA-UHFFFAOYSA-N 0 0 163.224 1.541 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@]12CCCSC2 306738236 345585211 /nfs/dbraw/zinc/58/52/11/345585211.db2.gz AIKKWLNARRDDSK-WEDXCCLWSA-N 0 0 199.319 1.654 10 0 ADAERN CC[S@](=O)Nc1ccc(C)c(O)c1 306738816 345585310 /nfs/dbraw/zinc/58/53/10/345585310.db2.gz JAJWCAILLMNVGC-ZDUSSCGKSA-N 0 0 199.275 1.796 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@]12CCCSC2 306738231 345585314 /nfs/dbraw/zinc/58/53/14/345585314.db2.gz AIKKWLNARRDDSK-OYNCUSHFSA-N 0 0 199.319 1.654 10 0 ADAERN O=C1NC/C1=C\c1ccccc1 306738148 345585348 /nfs/dbraw/zinc/58/53/48/345585348.db2.gz RSZWDASXNJYSRM-RMKNXTFCSA-N 0 0 159.188 1.200 10 0 ADAERN CC1=NN(c2cccnc2)C(C)C1=O 306738420 345585404 /nfs/dbraw/zinc/58/54/04/345585404.db2.gz ANXPMQGFALUSND-UHFFFAOYSA-N 0 0 189.218 1.590 10 0 ADAERN CNC(=O)Oc1cc(N)ccc1C 306738966 345585542 /nfs/dbraw/zinc/58/55/42/345585542.db2.gz CFNOUNCCBVYKQI-UHFFFAOYSA-N 0 0 180.207 1.295 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)C1CC1 306739815 345585554 /nfs/dbraw/zinc/58/55/54/345585554.db2.gz SNEKDDIJQNUYPF-XPUUQOCRSA-N 0 0 153.225 1.311 10 0 ADAERN Cc1cc(CN2[C@@H](C)C[C@@H]2C)no1 306739006 345585669 /nfs/dbraw/zinc/58/56/69/345585669.db2.gz BEJRZKQNVJRIFX-YUMQZZPRSA-N 0 0 180.251 1.966 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)C1CC1 306739813 345585715 /nfs/dbraw/zinc/58/57/15/345585715.db2.gz SNEKDDIJQNUYPF-POYBYMJQSA-N 0 0 153.225 1.311 10 0 ADAERN Cc1cc(CN2[C@@H](C)C[C@H]2C)no1 306739005 345585811 /nfs/dbraw/zinc/58/58/11/345585811.db2.gz BEJRZKQNVJRIFX-OCAPTIKFSA-N 0 0 180.251 1.966 10 0 ADAERN CC(C)Cn1cc(NC(N)=O)cn1 306738913 345585829 /nfs/dbraw/zinc/58/58/29/345585829.db2.gz AWAVWJCUUSSKGT-UHFFFAOYSA-N 0 0 182.227 1.030 10 0 ADAERN Cc1cc(CN2[C@H](C)C[C@H]2C)no1 306739004 345585878 /nfs/dbraw/zinc/58/58/78/345585878.db2.gz BEJRZKQNVJRIFX-HTQZYQBOSA-N 0 0 180.251 1.966 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1C1CCC1 306741793 345586116 /nfs/dbraw/zinc/58/61/16/345586116.db2.gz DYYYZTPFPHKLMY-RKDXNWHRSA-N 0 0 167.252 1.557 10 0 ADAERN C[S@@](=O)Nc1ccnc(Cl)c1 306741344 345586123 /nfs/dbraw/zinc/58/61/23/345586123.db2.gz DHMMXROPDVNSQR-LLVKDONJSA-N 0 0 190.655 1.440 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1C1CCC1 306741790 345586134 /nfs/dbraw/zinc/58/61/34/345586134.db2.gz DYYYZTPFPHKLMY-BDAKNGLRSA-N 0 0 167.252 1.557 10 0 ADAERN CCC1(Nc2nccnc2N)CC1 306741376 345586181 /nfs/dbraw/zinc/58/61/81/345586181.db2.gz DJXGJOMHPSLNOI-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN CC[C@@H]1C[C@H]1C1N=NC(=S)N1C 306741633 345586185 /nfs/dbraw/zinc/58/61/85/345586185.db2.gz DVCRAQREHWFSTN-PHDIDXHHSA-N 0 0 183.280 1.617 10 0 ADAERN Cc1scc(C(=O)CN)c1C 306742190 345586231 /nfs/dbraw/zinc/58/62/31/345586231.db2.gz VMJAJJRAORLTJJ-UHFFFAOYSA-N 0 0 169.249 1.506 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1C1CCC1 306741792 345586306 /nfs/dbraw/zinc/58/63/06/345586306.db2.gz DYYYZTPFPHKLMY-IUCAKERBSA-N 0 0 167.252 1.557 10 0 ADAERN C[S@](=O)Nc1ccnc(Cl)c1 306741345 345586323 /nfs/dbraw/zinc/58/63/23/345586323.db2.gz DHMMXROPDVNSQR-NSHDSACASA-N 0 0 190.655 1.440 10 0 ADAERN Cc1noc(NC2(C(C)C)CC2)n1 306741579 345586359 /nfs/dbraw/zinc/58/63/59/345586359.db2.gz DTAGAHTUBRHIKX-UHFFFAOYSA-N 0 0 181.239 1.979 10 0 ADAERN Cc1csc(NCCF)n1 306742212 345586416 /nfs/dbraw/zinc/58/64/16/345586416.db2.gz VNMONOGUQKVPFM-UHFFFAOYSA-N 0 0 160.217 1.833 10 0 ADAERN FCC[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 306742594 345586675 /nfs/dbraw/zinc/58/66/75/345586675.db2.gz GAYFHIYLAOFPOJ-HRDYMLBCSA-N 0 0 155.216 1.510 10 0 ADAERN FCC[NH2+][C@@H]1C[C@@H]2CC=C[C@H]21 306742593 345586720 /nfs/dbraw/zinc/58/67/20/345586720.db2.gz GAYFHIYLAOFPOJ-DJLDLDEBSA-N 0 0 155.216 1.510 10 0 ADAERN C[C@@H](CO)[C@H]([NH3+])c1ccsc1 306742612 345586725 /nfs/dbraw/zinc/58/67/25/345586725.db2.gz GDEBXTNEMFWCCC-XPUUQOCRSA-N 0 0 171.265 1.376 10 0 ADAERN C1=C(CNc2nncs2)COCC1 306742813 345586731 /nfs/dbraw/zinc/58/67/31/345586731.db2.gz GHFBRBACHVWOGB-UHFFFAOYSA-N 0 0 197.263 1.297 10 0 ADAERN C[C@@H](O)CNc1ccc2c(c1)CCO2 306742885 345586819 /nfs/dbraw/zinc/58/68/19/345586819.db2.gz GLINFKWTEKTBOJ-MRVPVSSYSA-N 0 0 193.246 1.414 10 0 ADAERN FCC[NH2+][C@@H]1C[C@@H]2CC=C[C@@H]21 306742596 345586828 /nfs/dbraw/zinc/58/68/28/345586828.db2.gz GAYFHIYLAOFPOJ-XHNCKOQMSA-N 0 0 155.216 1.510 10 0 ADAERN C[C@@H]([NH3+])c1csc(=NN(C)C)[nH]1 306742511 345586839 /nfs/dbraw/zinc/58/68/39/345586839.db2.gz VYBWDUKUADRQKD-RXMQYKEDSA-N 0 0 186.284 1.051 10 0 ADAERN FCC[NH2+][C@@H]1C[C@H]2CC=C[C@H]21 306742595 345586859 /nfs/dbraw/zinc/58/68/59/345586859.db2.gz GAYFHIYLAOFPOJ-IWSPIJDZSA-N 0 0 155.216 1.510 10 0 ADAERN C[C@H]([NH3+])c1csc(=NN(C)C)[nH]1 306742512 345586870 /nfs/dbraw/zinc/58/68/70/345586870.db2.gz VYBWDUKUADRQKD-YFKPBYRVSA-N 0 0 186.284 1.051 10 0 ADAERN C[C@H](CO)[C@@H]([NH3+])c1ccsc1 306742609 345586912 /nfs/dbraw/zinc/58/69/12/345586912.db2.gz GDEBXTNEMFWCCC-HTRCEHHLSA-N 0 0 171.265 1.376 10 0 ADAERN C[C@H](CO)[C@H]([NH3+])c1ccsc1 306742611 345587005 /nfs/dbraw/zinc/58/70/05/345587005.db2.gz GDEBXTNEMFWCCC-SVRRBLITSA-N 0 0 171.265 1.376 10 0 ADAERN C[C@@H](CO)[C@@H]([NH3+])c1ccsc1 306742610 345587016 /nfs/dbraw/zinc/58/70/16/345587016.db2.gz GDEBXTNEMFWCCC-POYBYMJQSA-N 0 0 171.265 1.376 10 0 ADAERN Cc1ccsc1[C@@H]1CNC(=O)CO1 306743669 345587497 /nfs/dbraw/zinc/58/74/97/345587497.db2.gz XODNKHDQIVRBPF-ZETCQYMHSA-N 0 0 197.259 1.244 10 0 ADAERN Cc1ccsc1[C@H]1CNC(=O)CO1 306743668 345587546 /nfs/dbraw/zinc/58/75/46/345587546.db2.gz XODNKHDQIVRBPF-SSDOTTSWSA-N 0 0 197.259 1.244 10 0 ADAERN Clc1ncc2c(n1)C1CCN2CC1 306743233 345587611 /nfs/dbraw/zinc/58/76/11/345587611.db2.gz GXVVXRHXFCTONV-UHFFFAOYSA-N 0 0 195.653 1.827 10 0 ADAERN C[C@H]1CCCC[C@]12COCC(=O)N2 306744207 345587948 /nfs/dbraw/zinc/58/79/48/345587948.db2.gz IEXXBFHRPVPVQF-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@H]1CCCC[C@]12COCC(=O)N2 306744203 345587995 /nfs/dbraw/zinc/58/79/95/345587995.db2.gz IEXXBFHRPVPVQF-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@H]1CCCC[C@@]12COCC(=O)N2 306744205 345588049 /nfs/dbraw/zinc/58/80/49/345588049.db2.gz IEXXBFHRPVPVQF-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1NCCN1CC1CC(F)(F)C1 306744304 345588053 /nfs/dbraw/zinc/58/80/53/345588053.db2.gz XYGPDMOWXOEISR-UHFFFAOYSA-N 0 0 190.193 1.057 10 0 ADAERN Cc1cocc1-c1cnc(=O)[nH]c1 306744414 345588244 /nfs/dbraw/zinc/58/82/44/345588244.db2.gz IHPUMKPGVCVVGD-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN C[C@@H]1CCCC[C@@]12COCC(=O)N2 306744200 345588260 /nfs/dbraw/zinc/58/82/60/345588260.db2.gz IEXXBFHRPVPVQF-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN COc1cc(Cl)cc2[nH]c(=O)oc12 306745582 345588504 /nfs/dbraw/zinc/58/85/04/345588504.db2.gz APHYAYHZWOPUBL-UHFFFAOYSA-N 0 0 199.593 1.783 10 0 ADAERN CC1=CC(=O)N([C@@H]2CC[C@@H]2C)C1=O 306746089 345588514 /nfs/dbraw/zinc/58/85/14/345588514.db2.gz CWWIINPDTROKPB-POYBYMJQSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@H]([C@@H]1CNC(=O)O1)C(C)(C)C 306745559 345588524 /nfs/dbraw/zinc/58/85/24/345588524.db2.gz JPSVZYQLXYPWLZ-RQJHMYQMSA-N 0 0 171.240 1.777 10 0 ADAERN CC1CN(Cc2cscn2)C1 306746170 345588534 /nfs/dbraw/zinc/58/85/34/345588534.db2.gz DEZDMASACWLCLI-UHFFFAOYSA-N 0 0 168.265 1.595 10 0 ADAERN Cc1cnc2cc[nH]c2c1 306745651 345588543 /nfs/dbraw/zinc/58/85/43/345588543.db2.gz AROAAJCZHBVGSD-UHFFFAOYSA-N 0 0 132.166 1.823 10 0 ADAERN C[C@H]([C@H]1CNC(=O)O1)C(C)(C)C 306745556 345588576 /nfs/dbraw/zinc/58/85/76/345588576.db2.gz JPSVZYQLXYPWLZ-RNFRBKRXSA-N 0 0 171.240 1.777 10 0 ADAERN C[NH+](C)C1(C(=O)[O-])CC(C)(C)C1 306745659 345588617 /nfs/dbraw/zinc/58/86/17/345588617.db2.gz JRFIVTYDVNJZFK-UHFFFAOYSA-N 0 0 171.240 1.191 10 0 ADAERN CNC(=O)N1CC[C@@H](C)[C@H](F)C1 306745920 345588637 /nfs/dbraw/zinc/58/86/37/345588637.db2.gz DOXFWIUIJMMAGR-RNFRBKRXSA-N 0 0 174.219 1.006 10 0 ADAERN CNC(=O)N1CC[C@H](C)[C@H](F)C1 306745919 345588687 /nfs/dbraw/zinc/58/86/87/345588687.db2.gz DOXFWIUIJMMAGR-NKWVEPMBSA-N 0 0 174.219 1.006 10 0 ADAERN CC1=CC(=O)N([C@H]2CC[C@@H]2C)C1=O 306746094 345588698 /nfs/dbraw/zinc/58/86/98/345588698.db2.gz CWWIINPDTROKPB-XPUUQOCRSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@@H]([C@@H]1CNC(=O)O1)C(C)(C)C 306745550 345588701 /nfs/dbraw/zinc/58/87/01/345588701.db2.gz JPSVZYQLXYPWLZ-BQBZGAKWSA-N 0 0 171.240 1.777 10 0 ADAERN Cc1ccc(N)c(C)c1N[S@](C)=O 306745415 345588706 /nfs/dbraw/zinc/58/87/06/345588706.db2.gz INGHQFOXZPBKTH-ZDUSSCGKSA-N 0 0 198.291 1.591 10 0 ADAERN CC1=CC(=O)N([C@@H]2CC[C@H]2C)C1=O 306746086 345588719 /nfs/dbraw/zinc/58/87/19/345588719.db2.gz CWWIINPDTROKPB-HTRCEHHLSA-N 0 0 179.219 1.100 10 0 ADAERN C[C@@H]([C@H]1CNC(=O)O1)C(C)(C)C 306745554 345588734 /nfs/dbraw/zinc/58/87/34/345588734.db2.gz JPSVZYQLXYPWLZ-NKWVEPMBSA-N 0 0 171.240 1.777 10 0 ADAERN CNC(=O)N1CC[C@H](C)[C@@H](F)C1 306745918 345588751 /nfs/dbraw/zinc/58/87/51/345588751.db2.gz DOXFWIUIJMMAGR-BQBZGAKWSA-N 0 0 174.219 1.006 10 0 ADAERN C[C@@H]1CCNC2(CSC2)S1 306746549 345589164 /nfs/dbraw/zinc/58/91/64/345589164.db2.gz BRXDQUSEFHKSPK-ZCFIWIBFSA-N 0 0 175.322 1.545 10 0 ADAERN Cc1ccc(N)c(C)c1N[S@@](C)=O 306745385 345588767 /nfs/dbraw/zinc/58/87/67/345588767.db2.gz INGHQFOXZPBKTH-CYBMUJFWSA-N 0 0 198.291 1.591 10 0 ADAERN CC1=CC(=O)N([C@H]2CC[C@H]2C)C1=O 306746091 345588780 /nfs/dbraw/zinc/58/87/80/345588780.db2.gz CWWIINPDTROKPB-SVRRBLITSA-N 0 0 179.219 1.100 10 0 ADAERN CNC(=O)N1CC[C@@H](C)[C@@H](F)C1 306745921 345588789 /nfs/dbraw/zinc/58/87/89/345588789.db2.gz DOXFWIUIJMMAGR-RQJHMYQMSA-N 0 0 174.219 1.006 10 0 ADAERN CC1(C(=O)Nc2cncnc2)CC1 306746699 345589146 /nfs/dbraw/zinc/58/91/46/345589146.db2.gz DHFJCGZKLLFHRL-UHFFFAOYSA-N 0 0 177.207 1.215 10 0 ADAERN C[C@H]1CCNC2(CSC2)S1 306746548 345589153 /nfs/dbraw/zinc/58/91/53/345589153.db2.gz BRXDQUSEFHKSPK-LURJTMIESA-N 0 0 175.322 1.545 10 0 ADAERN O=C(NC1CCC1)C(F)(F)Cl 306746884 345589308 /nfs/dbraw/zinc/58/93/08/345589308.db2.gz DNLFBGSEBDARDF-UHFFFAOYSA-N 0 0 183.585 1.487 10 0 ADAERN CCn1cc(C(C)=O)nc1C 306747583 345589535 /nfs/dbraw/zinc/58/95/35/345589535.db2.gz FMLYEOQZUCUPDO-UHFFFAOYSA-N 0 0 152.197 1.414 10 0 ADAERN CCNC(=O)C1=C(Cl)CCC1 306747596 345589573 /nfs/dbraw/zinc/58/95/73/345589573.db2.gz DUXWUSWYPMDDOZ-UHFFFAOYSA-N 0 0 173.643 1.799 10 0 ADAERN C/C=C/C(=O)N[C@H](C)C(F)F 306747754 345589580 /nfs/dbraw/zinc/58/95/80/345589580.db2.gz JKMFDJJKADQVAL-QLSVQJPWSA-N 0 0 163.167 1.332 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1n1c(=O)[nH][nH]c1=S 306747698 345589582 /nfs/dbraw/zinc/58/95/82/345589582.db2.gz JIELRZHRMPYIFV-NGJCXOISSA-N 0 0 199.279 1.077 10 0 ADAERN CCCC1(NC(C)=O)CC1 306748252 345589587 /nfs/dbraw/zinc/58/95/87/345589587.db2.gz JNGGRMDUPOJHGY-UHFFFAOYSA-N 0 0 141.214 1.455 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)C(F)F 306747753 345589593 /nfs/dbraw/zinc/58/95/93/345589593.db2.gz JKMFDJJKADQVAL-BHYDHMSTSA-N 0 0 163.167 1.332 10 0 ADAERN Cc1c(CC2(C)CC2)noc1N 306747392 345589656 /nfs/dbraw/zinc/58/96/56/345589656.db2.gz CFJUSRGEFNKVIC-UHFFFAOYSA-N 0 0 166.224 1.908 10 0 ADAERN C[C@@H]1C[C@H](n2c(=O)[nH][nH]c2=S)[C@@H]1C 306747699 345589679 /nfs/dbraw/zinc/58/96/79/345589679.db2.gz JIELRZHRMPYIFV-PBXRRBTRSA-N 0 0 199.279 1.077 10 0 ADAERN C[C@@H]1C[C@@H](n2c(=O)[nH][nH]c2=S)[C@@H]1C 306747696 345589750 /nfs/dbraw/zinc/58/97/50/345589750.db2.gz JIELRZHRMPYIFV-HSUXUTPPSA-N 0 0 199.279 1.077 10 0 ADAERN C[C@@H]1[C@@H](n2c(=O)[nH][nH]c2=S)C[C@H]1C 306747700 345589822 /nfs/dbraw/zinc/58/98/22/345589822.db2.gz JIELRZHRMPYIFV-SRQIZXRXSA-N 0 0 199.279 1.077 10 0 ADAERN Cc1cscc1NCCO 306747727 345589826 /nfs/dbraw/zinc/58/98/26/345589826.db2.gz JJIUGDWPIMCTJN-UHFFFAOYSA-N 0 0 157.238 1.461 10 0 ADAERN CCCNc1ncnc2scnc12 306748563 345590142 /nfs/dbraw/zinc/59/01/42/345590142.db2.gz GUQBXRHGLOWICG-UHFFFAOYSA-N 0 0 194.263 1.908 10 0 ADAERN C/C=C/CNc1ncc(F)c(N)n1 306748659 345590146 /nfs/dbraw/zinc/59/01/46/345590146.db2.gz CQEZJTIXLZLUSG-NSCUHMNNSA-N 0 0 182.202 1.186 10 0 ADAERN CN(c1nccc(N)n1)C(C)(C)C 306748523 345590198 /nfs/dbraw/zinc/59/01/98/345590198.db2.gz JSYNITIMUXTCFM-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN CC(C)=C[C@H](NN)c1coc(C)n1 306749014 345590400 /nfs/dbraw/zinc/59/04/00/345590400.db2.gz JZGJERBUPZRSQN-QMMMGPOBSA-N 0 0 181.239 1.454 10 0 ADAERN CC(C)=C[C@@H](NN)c1coc(C)n1 306749013 345590491 /nfs/dbraw/zinc/59/04/91/345590491.db2.gz JZGJERBUPZRSQN-MRVPVSSYSA-N 0 0 181.239 1.454 10 0 ADAERN CC(C)(C)C[C@]1(C)COC(N)=N1 306749550 345590711 /nfs/dbraw/zinc/59/07/11/345590711.db2.gz LTHWSYWIMPJXII-SECBINFHSA-N 0 0 170.256 1.526 10 0 ADAERN CC(C)(C)C[C@@]1(C)COC(N)=N1 306749552 345590736 /nfs/dbraw/zinc/59/07/36/345590736.db2.gz LTHWSYWIMPJXII-VIFPVBQESA-N 0 0 170.256 1.526 10 0 ADAERN CCc1nc2cccnc2c(=O)[nH]1 306749193 345590773 /nfs/dbraw/zinc/59/07/73/345590773.db2.gz FTFXPNZLBULXIY-UHFFFAOYSA-N 0 0 175.191 1.293 10 0 ADAERN CC(C)(CO)Sc1ccc(N)cn1 306749479 345590825 /nfs/dbraw/zinc/59/08/25/345590825.db2.gz KCAGUAAASBDXDO-UHFFFAOYSA-N 0 0 198.291 1.527 10 0 ADAERN Cc1nsc(C(=O)NC(C)(C)C)n1 306749430 345590919 /nfs/dbraw/zinc/59/09/19/345590919.db2.gz GBVLABURSGXPIT-UHFFFAOYSA-N 0 0 199.279 1.375 10 0 ADAERN O=C(NC1CC1)N1CCC12CCC2 306750282 345591230 /nfs/dbraw/zinc/59/12/30/345591230.db2.gz GMVNFXCPUJTEHF-UHFFFAOYSA-N 0 0 180.251 1.487 10 0 ADAERN CC(=O)NCc1cc(Cl)cn1C 306750277 345591282 /nfs/dbraw/zinc/59/12/82/345591282.db2.gz GMBJLVBJXQXJKB-UHFFFAOYSA-N 0 0 186.642 1.315 10 0 ADAERN CC[C@H]1CCC[C@H]1N1CCC(=O)C1 306751269 345591429 /nfs/dbraw/zinc/59/14/29/345591429.db2.gz LDROUGXOYNURTO-GXSJLCMTSA-N 0 0 181.279 1.840 10 0 ADAERN Nc1cc(Cl)cnc1N1CC=CC1 306751542 345591437 /nfs/dbraw/zinc/59/14/37/345591437.db2.gz NJSISJUOICVJNZ-UHFFFAOYSA-N 0 0 195.653 1.693 10 0 ADAERN CC[C@@H]1CCC[C@H]1N1CCC(=O)C1 306751271 345591449 /nfs/dbraw/zinc/59/14/49/345591449.db2.gz LDROUGXOYNURTO-MWLCHTKSSA-N 0 0 181.279 1.840 10 0 ADAERN CC[S@](=O)Nc1cc(C)ccc1N 306751588 345591465 /nfs/dbraw/zinc/59/14/65/345591465.db2.gz NOASKKGNMVEFRM-ZDUSSCGKSA-N 0 0 198.291 1.673 10 0 ADAERN CC[C@H]1CCC[C@@H]1N1CCC(=O)C1 306751272 345591469 /nfs/dbraw/zinc/59/14/69/345591469.db2.gz LDROUGXOYNURTO-ONGXEEELSA-N 0 0 181.279 1.840 10 0 ADAERN CC[C@@H]1CCC[C@@H]1N1CCC(=O)C1 306751270 345591479 /nfs/dbraw/zinc/59/14/79/345591479.db2.gz LDROUGXOYNURTO-KOLCDFICSA-N 0 0 181.279 1.840 10 0 ADAERN Cc1cc(F)ccc1C(=O)N1CC1 306751120 345591563 /nfs/dbraw/zinc/59/15/63/345591563.db2.gz HPVXHVISDRMUCD-UHFFFAOYSA-N 0 0 179.194 1.590 10 0 ADAERN Nc1ncccc1N1CC=CC1 306751794 345591582 /nfs/dbraw/zinc/59/15/82/345591582.db2.gz LKLQTQNFAYMVCJ-UHFFFAOYSA-N 0 0 161.208 1.040 10 0 ADAERN COc1cncc(NC2CCC2)n1 306751118 345591599 /nfs/dbraw/zinc/59/15/99/345591599.db2.gz HPIDDNLUJNTQST-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CC[S@@](=O)Nc1cc(C)ccc1N 306751587 345591609 /nfs/dbraw/zinc/59/16/09/345591609.db2.gz NOASKKGNMVEFRM-CYBMUJFWSA-N 0 0 198.291 1.673 10 0 ADAERN CC1(C)C[C@@H]1c1ccc(N)nn1 306752771 345592040 /nfs/dbraw/zinc/59/20/40/345592040.db2.gz ONIBSWHMUAWIRG-ZCFIWIBFSA-N 0 0 163.224 1.572 10 0 ADAERN CC1(C)C[C@H]1c1ccc(N)nn1 306752769 345592171 /nfs/dbraw/zinc/59/21/71/345592171.db2.gz ONIBSWHMUAWIRG-LURJTMIESA-N 0 0 163.224 1.572 10 0 ADAERN Cc1coc(NCc2cc[nH]n2)n1 306751970 345592190 /nfs/dbraw/zinc/59/21/90/345592190.db2.gz IFQUPZUIVYIAFR-UHFFFAOYSA-N 0 0 178.195 1.318 10 0 ADAERN CCN1CC(=O)N(C)[C@]1(C)C(C)C 306752830 345592209 /nfs/dbraw/zinc/59/22/09/345592209.db2.gz JASQNLUQDXYQKD-JTQLQIEISA-N 0 0 184.283 1.153 10 0 ADAERN CCN1CC(=O)N(C)[C@@]1(C)C(C)C 306752831 345592442 /nfs/dbraw/zinc/59/24/42/345592442.db2.gz JASQNLUQDXYQKD-SNVBAGLBSA-N 0 0 184.283 1.153 10 0 ADAERN CC(C)CN(C)c1ncc[nH]1 306753160 345592625 /nfs/dbraw/zinc/59/26/25/345592625.db2.gz OQOWJBGYSVGWEN-UHFFFAOYSA-N 0 0 153.229 1.502 10 0 ADAERN CC(C)(C)C(C)(C)N1CCC(=O)C1=O 306754593 345592729 /nfs/dbraw/zinc/59/27/29/345592729.db2.gz PTRDUMHEMNAIDJ-UHFFFAOYSA-N 0 0 197.278 1.613 10 0 ADAERN CC(=O)c1cccnc1N1CCC1 306754570 345592759 /nfs/dbraw/zinc/59/27/59/345592759.db2.gz PSTLUXZIMZKTHN-UHFFFAOYSA-N 0 0 176.219 1.494 10 0 ADAERN C=Cc1ncnc(Cl)c1N 306753969 345592776 /nfs/dbraw/zinc/59/27/76/345592776.db2.gz NEBLMSOOTKUJJA-UHFFFAOYSA-N 0 0 155.588 1.355 10 0 ADAERN Cc1nccn1Cc1nc(N)cs1 306754078 345592811 /nfs/dbraw/zinc/59/28/11/345592811.db2.gz PKHICZLFIZTYHW-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CCc1nc2ccncc2c(=O)[nH]1 306754745 345593034 /nfs/dbraw/zinc/59/30/34/345593034.db2.gz KLAQPAYPCWZFOB-UHFFFAOYSA-N 0 0 175.191 1.293 10 0 ADAERN Cc1cc(N2CCCCO2)ncn1 306754418 345593127 /nfs/dbraw/zinc/59/31/27/345593127.db2.gz NNLCNJVDSARQIK-UHFFFAOYSA-N 0 0 179.223 1.317 10 0 ADAERN CC(C)[C@H]1NC(=O)[C@@H]1C1CCCC1 306756673 345593353 /nfs/dbraw/zinc/59/33/53/345593353.db2.gz RSFZACIIQWLVCQ-NXEZZACHSA-N 0 0 181.279 1.947 10 0 ADAERN COc1ccc([C@H](C)NN)s1 306756424 345593478 /nfs/dbraw/zinc/59/34/78/345593478.db2.gz RHZHUMFAAOZHLA-YFKPBYRVSA-N 0 0 172.253 1.281 10 0 ADAERN CNc1nc(CN2CCC2)cs1 306756191 345593560 /nfs/dbraw/zinc/59/35/60/345593560.db2.gz LUAIKDZHFHZPJD-UHFFFAOYSA-N 0 0 183.280 1.391 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@H]1C1CCCC1 306756674 345593610 /nfs/dbraw/zinc/59/36/10/345593610.db2.gz RSFZACIIQWLVCQ-UWVGGRQHSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@@H]1C1CCCC1 306756676 345593631 /nfs/dbraw/zinc/59/36/31/345593631.db2.gz RSFZACIIQWLVCQ-ZJUUUORDSA-N 0 0 181.279 1.947 10 0 ADAERN CCCNC(=O)[C@@H]1CCCOCC1 306756522 345593650 /nfs/dbraw/zinc/59/36/50/345593650.db2.gz MBSXOYCWVALCKI-SECBINFHSA-N 0 0 185.267 1.329 10 0 ADAERN CC(C)n1c(N)nc2ccncc21 306756499 345593713 /nfs/dbraw/zinc/59/37/13/345593713.db2.gz LZPGKCRKUYEVOA-UHFFFAOYSA-N 0 0 176.223 1.594 10 0 ADAERN CCCNC(=O)[C@H]1CCCOCC1 306756523 345593717 /nfs/dbraw/zinc/59/37/17/345593717.db2.gz MBSXOYCWVALCKI-VIFPVBQESA-N 0 0 185.267 1.329 10 0 ADAERN COc1cc(N)c(C)cc1C(C)=O 306757360 345593893 /nfs/dbraw/zinc/59/38/93/345593893.db2.gz NDUHJMAQPHAXTQ-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN CC[NH2+][C@H](C)C(C)(F)F 306757123 345594013 /nfs/dbraw/zinc/59/40/13/345594013.db2.gz RIBCUAUIPXOPIX-RXMQYKEDSA-N 0 0 137.173 1.640 10 0 ADAERN NC(=O)N1CCS[C@@H]2CCC[C@H]21 306757214 345594162 /nfs/dbraw/zinc/59/41/62/345594162.db2.gz MZCOKEZBPWSBLD-RNFRBKRXSA-N 0 0 186.280 1.035 10 0 ADAERN NC(=O)N1CCS[C@H]2CCC[C@H]21 306757215 345594173 /nfs/dbraw/zinc/59/41/73/345594173.db2.gz MZCOKEZBPWSBLD-RQJHMYQMSA-N 0 0 186.280 1.035 10 0 ADAERN CC[NH2+][C@@H](C)C(C)(F)F 306757124 345594177 /nfs/dbraw/zinc/59/41/77/345594177.db2.gz RIBCUAUIPXOPIX-YFKPBYRVSA-N 0 0 137.173 1.640 10 0 ADAERN NC(=O)N1CCS[C@H]2CCC[C@@H]21 306757212 345594186 /nfs/dbraw/zinc/59/41/86/345594186.db2.gz MZCOKEZBPWSBLD-BQBZGAKWSA-N 0 0 186.280 1.035 10 0 ADAERN COC[C@@H]1NC(=O)[C@@H]1C1CCCCC1 306758267 345594468 /nfs/dbraw/zinc/59/44/68/345594468.db2.gz UGFDSQBJTPTELE-VHSXEESVSA-N 0 0 197.278 1.328 10 0 ADAERN Cc1nn(C)cc1NC[C@H]1C[C@H]1C 306758183 345594511 /nfs/dbraw/zinc/59/45/11/345594511.db2.gz OFVNOTLAPZUXQZ-VXNVDRBHSA-N 0 0 179.267 1.796 10 0 ADAERN COC[C@@H]1NC(=O)[C@H]1C1CCCCC1 306758266 345594610 /nfs/dbraw/zinc/59/46/10/345594610.db2.gz UGFDSQBJTPTELE-UWVGGRQHSA-N 0 0 197.278 1.328 10 0 ADAERN COC[C@H]1NC(=O)[C@H]1C1CCCCC1 306758268 345594613 /nfs/dbraw/zinc/59/46/13/345594613.db2.gz UGFDSQBJTPTELE-ZJUUUORDSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCO1 306758526 345594636 /nfs/dbraw/zinc/59/46/36/345594636.db2.gz ONDPHPJGAMYACB-HRDYMLBCSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCO1 306758525 345594640 /nfs/dbraw/zinc/59/46/40/345594640.db2.gz ONDPHPJGAMYACB-HLTSFMKQSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCO1 306758527 345594643 /nfs/dbraw/zinc/59/46/43/345594643.db2.gz ONDPHPJGAMYACB-IWSPIJDZSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1nn(C)cc1NC[C@H]1C[C@@H]1C 306758177 345594664 /nfs/dbraw/zinc/59/46/64/345594664.db2.gz OFVNOTLAPZUXQZ-IONNQARKSA-N 0 0 179.267 1.796 10 0 ADAERN Cc1nn(C)cc1NC[C@@H]1C[C@H]1C 306758175 345594671 /nfs/dbraw/zinc/59/46/71/345594671.db2.gz OFVNOTLAPZUXQZ-APPZFPTMSA-N 0 0 179.267 1.796 10 0 ADAERN Cc1nn(C)cc1NC[C@@H]1C[C@@H]1C 306758176 345594724 /nfs/dbraw/zinc/59/47/24/345594724.db2.gz OFVNOTLAPZUXQZ-CBAPKCEASA-N 0 0 179.267 1.796 10 0 ADAERN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCO1 306758528 345594741 /nfs/dbraw/zinc/59/47/41/345594741.db2.gz ONDPHPJGAMYACB-VGMNWLOBSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H](O)c1ccc(N2CCC2)cc1 306758229 345594773 /nfs/dbraw/zinc/59/47/73/345594773.db2.gz UALRJHJBEXUKNM-SECBINFHSA-N 0 0 177.247 1.950 10 0 ADAERN COC[C@H]1NC(=O)[C@@H]1C1CCCCC1 306758265 345594794 /nfs/dbraw/zinc/59/47/94/345594794.db2.gz UGFDSQBJTPTELE-NXEZZACHSA-N 0 0 197.278 1.328 10 0 ADAERN NC(=O)[C@@H]1CSc2ccccc2O1 306758617 345595323 /nfs/dbraw/zinc/59/53/23/345595323.db2.gz OPXPOVZEFXYIQN-ZETCQYMHSA-N 0 0 195.243 1.025 10 0 ADAERN C[C@@H]1CCN(c2ncc[nH]2)[C@@H]1C 306759397 345595353 /nfs/dbraw/zinc/59/53/53/345595353.db2.gz VDJODNAVUZHBLJ-HTQZYQBOSA-N 0 0 165.240 1.644 10 0 ADAERN NC(=O)[C@H]1CSc2ccccc2O1 306758607 345595510 /nfs/dbraw/zinc/59/55/10/345595510.db2.gz OPXPOVZEFXYIQN-SSDOTTSWSA-N 0 0 195.243 1.025 10 0 ADAERN C[C@H]1CCN(c2ncc[nH]2)[C@H]1C 306759400 345595822 /nfs/dbraw/zinc/59/58/22/345595822.db2.gz VDJODNAVUZHBLJ-YUMQZZPRSA-N 0 0 165.240 1.644 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@H]1COC(N)=N1 306759715 345595835 /nfs/dbraw/zinc/59/58/35/345595835.db2.gz VOGOZQUWMGOKMQ-HRDYMLBCSA-N 0 0 182.267 1.526 10 0 ADAERN CC1=C(C)C[N@@H+](/C=C/C(=O)[O-])CC1 306759432 345595845 /nfs/dbraw/zinc/59/58/45/345595845.db2.gz VHFFFPGBOPKTCL-GQCTYLIASA-N 0 0 181.235 1.627 10 0 ADAERN O=C(N1CC(F)(F)C1)C1(F)CCC1 306759573 345595884 /nfs/dbraw/zinc/59/58/84/345595884.db2.gz POFHGSDVHRKFIH-UHFFFAOYSA-N 0 0 193.168 1.356 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@H]1COC(N)=N1 306759716 345595887 /nfs/dbraw/zinc/59/58/87/345595887.db2.gz VOGOZQUWMGOKMQ-IWSPIJDZSA-N 0 0 182.267 1.526 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@@H]1COC(N)=N1 306759714 345595945 /nfs/dbraw/zinc/59/59/45/345595945.db2.gz VOGOZQUWMGOKMQ-HLTSFMKQSA-N 0 0 182.267 1.526 10 0 ADAERN C[C@H]1[C@H](C)CCN1c1ncc[nH]1 306759399 345595978 /nfs/dbraw/zinc/59/59/78/345595978.db2.gz VDJODNAVUZHBLJ-SFYZADRCSA-N 0 0 165.240 1.644 10 0 ADAERN c1nc(N[C@@H]2CCCOCC2)c[nH]1 306759899 345596017 /nfs/dbraw/zinc/59/60/17/345596017.db2.gz QAPKNTSLWYHPPT-MRVPVSSYSA-N 0 0 181.239 1.391 10 0 ADAERN c1nc(N[C@H]2CCCOCC2)c[nH]1 306759901 345596101 /nfs/dbraw/zinc/59/61/01/345596101.db2.gz QAPKNTSLWYHPPT-QMMMGPOBSA-N 0 0 181.239 1.391 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H]1COC(N)=N1 306759717 345596119 /nfs/dbraw/zinc/59/61/19/345596119.db2.gz VOGOZQUWMGOKMQ-VGMNWLOBSA-N 0 0 182.267 1.526 10 0 ADAERN CCN1CCOc2nc(C)ccc21 306759585 345596124 /nfs/dbraw/zinc/59/61/24/345596124.db2.gz PPUJIJBEPPVOTK-UHFFFAOYSA-N 0 0 178.235 1.609 10 0 ADAERN CO[C@@H](C)[C@@H](C)Nc1nc(C)co1 306760796 345596673 /nfs/dbraw/zinc/59/66/73/345596673.db2.gz RJZCGJWGLUYOGB-SFYZADRCSA-N 0 0 184.239 1.818 10 0 ADAERN CO[C@H](C)[C@@H](C)Nc1nc(C)co1 306760793 345596686 /nfs/dbraw/zinc/59/66/86/345596686.db2.gz RJZCGJWGLUYOGB-HTQZYQBOSA-N 0 0 184.239 1.818 10 0 ADAERN C[C@@H](CO)S[C@@H]1CCCO1 306760667 345596745 /nfs/dbraw/zinc/59/67/45/345596745.db2.gz QYLSGEJUTDSSMK-NKWVEPMBSA-N 0 0 162.254 1.237 10 0 ADAERN C[C@H](CO)S[C@@H]1CCCO1 306760668 345596748 /nfs/dbraw/zinc/59/67/48/345596748.db2.gz QYLSGEJUTDSSMK-RNFRBKRXSA-N 0 0 162.254 1.237 10 0 ADAERN C[C@@H](CO)S[C@H]1CCCO1 306760666 345596780 /nfs/dbraw/zinc/59/67/80/345596780.db2.gz QYLSGEJUTDSSMK-BQBZGAKWSA-N 0 0 162.254 1.237 10 0 ADAERN CC[C@H](C(C)C)n1cnc(N)n1 306760094 345596786 /nfs/dbraw/zinc/59/67/86/345596786.db2.gz WCKSYQOZVLAEDT-SSDOTTSWSA-N 0 0 168.244 1.467 10 0 ADAERN C[C@H](CO)S[C@H]1CCCO1 306760669 345596789 /nfs/dbraw/zinc/59/67/89/345596789.db2.gz QYLSGEJUTDSSMK-RQJHMYQMSA-N 0 0 162.254 1.237 10 0 ADAERN Cc1cc(C[N@@H+]2[C@@H](C)C[C@H]2C)on1 306760186 345596806 /nfs/dbraw/zinc/59/68/06/345596806.db2.gz QPEKMCXPJPCFMN-DTORHVGOSA-N 0 0 180.251 1.966 10 0 ADAERN CC1CN(C(=O)c2ccc[nH]2)C1 306760221 345596847 /nfs/dbraw/zinc/59/68/47/345596847.db2.gz QUVDMJSFMANLFR-UHFFFAOYSA-N 0 0 164.208 1.107 10 0 ADAERN CC[C@@H](C(C)C)n1cnc(N)n1 306760095 345596855 /nfs/dbraw/zinc/59/68/55/345596855.db2.gz WCKSYQOZVLAEDT-ZETCQYMHSA-N 0 0 168.244 1.467 10 0 ADAERN Nc1ccnc(F)c1C(F)(F)F 306761391 345597217 /nfs/dbraw/zinc/59/72/17/345597217.db2.gz XAPGAMXYFRVPDU-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN C[S@](=O)Nc1cccnc1Cl 306761695 345597229 /nfs/dbraw/zinc/59/72/29/345597229.db2.gz XKEILYFRFWAIIW-NSHDSACASA-N 0 0 190.655 1.440 10 0 ADAERN C[S@@](=O)Nc1cccnc1Cl 306761694 345597361 /nfs/dbraw/zinc/59/73/61/345597361.db2.gz XKEILYFRFWAIIW-LLVKDONJSA-N 0 0 190.655 1.440 10 0 ADAERN Cc1nc(C(=O)C2CCC2)co1 306761659 345597461 /nfs/dbraw/zinc/59/74/61/345597461.db2.gz XHJFLDPNKMATTA-UHFFFAOYSA-N 0 0 165.192 1.966 10 0 ADAERN C=Cc1cnc(C[NH2+]C)s1 306762239 345597886 /nfs/dbraw/zinc/59/78/86/345597886.db2.gz DOBYMBWKMCRHSJ-UHFFFAOYSA-N 0 0 154.238 1.506 10 0 ADAERN C[C@@H](Nc1ccncn1)C(F)(F)F 306762015 345597918 /nfs/dbraw/zinc/59/79/18/345597918.db2.gz XORDFEIBVGYYQO-RXMQYKEDSA-N 0 0 191.156 1.839 10 0 ADAERN O=C1CC(c2nnc(C3CC3)o2)C1 306762250 345597944 /nfs/dbraw/zinc/59/79/44/345597944.db2.gz DPGUBNMYVWOOPR-UHFFFAOYSA-N 0 0 178.191 1.394 10 0 ADAERN Cn1ccc(C2(O)CC(C)(C)C2)n1 306762210 345597956 /nfs/dbraw/zinc/59/79/56/345597956.db2.gz DKLXHFVKVKTGLT-UHFFFAOYSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@H](Nc1ccncn1)C(F)(F)F 306762016 345597973 /nfs/dbraw/zinc/59/79/73/345597973.db2.gz XORDFEIBVGYYQO-YFKPBYRVSA-N 0 0 191.156 1.839 10 0 ADAERN CC1(C)CC(NC(=O)C2CC2)C1 306762225 345598158 /nfs/dbraw/zinc/59/81/58/345598158.db2.gz DLVFHTUGUIIYBQ-UHFFFAOYSA-N 0 0 167.252 1.701 10 0 ADAERN O=C(Nc1nccs1)N1CCCO1 306762681 345598436 /nfs/dbraw/zinc/59/84/36/345598436.db2.gz DWFKMLAOGCHKDF-UHFFFAOYSA-N 0 0 199.235 1.312 10 0 ADAERN CC(C)([NH3+])c1nc[n-]c(=O)c1Cl 306762570 345598632 /nfs/dbraw/zinc/59/86/32/345598632.db2.gz HRNCXYWUTOWAOP-UHFFFAOYSA-N 0 0 187.630 1.029 10 0 ADAERN Cn1nncc1NC1CC(C)(C)C1 306763406 345599121 /nfs/dbraw/zinc/59/91/21/345599121.db2.gz GGOWPLFTZDUFHU-UHFFFAOYSA-N 0 0 180.255 1.416 10 0 ADAERN CC(C)NC(=S)N1CC(C)(C)C1 306763848 345599091 /nfs/dbraw/zinc/59/90/91/345599091.db2.gz JIASAFQECRMMPY-UHFFFAOYSA-N 0 0 186.324 1.611 10 0 ADAERN Cc1ccnc(Sc2cn[nH]n2)n1 306763370 345599229 /nfs/dbraw/zinc/59/92/29/345599229.db2.gz GCEWULQVSGEYIG-UHFFFAOYSA-N 0 0 193.235 1.054 10 0 ADAERN COCC1(O)CC(C)(C)C1 306763363 345599237 /nfs/dbraw/zinc/59/92/37/345599237.db2.gz GAKISGAVBYMXJT-UHFFFAOYSA-N 0 0 144.214 1.184 10 0 ADAERN CCC1(O)CN(c2cccc(N)c2)C1 306763810 345599249 /nfs/dbraw/zinc/59/92/49/345599249.db2.gz GMKDHQHQYZXDRZ-UHFFFAOYSA-N 0 0 192.262 1.230 10 0 ADAERN CCNC(=O)c1cc(Cl)ns1 306763445 345599329 /nfs/dbraw/zinc/59/93/29/345599329.db2.gz JEQLRAFCBXHHKZ-UHFFFAOYSA-N 0 0 190.655 1.546 10 0 ADAERN CC1([C@H]2CNC(=O)CO2)CCCC1 306763913 345599708 /nfs/dbraw/zinc/59/97/08/345599708.db2.gz GRDGDANJXINNDQ-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN O[C@@]1(c2ccc[nH]2)CCCOC1 306764321 345599759 /nfs/dbraw/zinc/59/97/59/345599759.db2.gz VJURXXTVNCDRNY-VIFPVBQESA-N 0 0 167.208 1.013 10 0 ADAERN CC1([C@@H]2CNC(=O)CO2)CCCC1 306763916 345599796 /nfs/dbraw/zinc/59/97/96/345599796.db2.gz GRDGDANJXINNDQ-QMMMGPOBSA-N 0 0 183.251 1.082 10 0 ADAERN CCOC(=O)NC1=CC=NCC1=O 306764801 345599799 /nfs/dbraw/zinc/59/97/99/345599799.db2.gz VNWLGOGSTHWRKW-UHFFFAOYSA-N 0 0 182.179 1.356 10 0 ADAERN CCCC[C@]1(C)CC(=O)N1 306764463 345599812 /nfs/dbraw/zinc/59/98/12/345599812.db2.gz HIOQBZLVPFTRQH-MRVPVSSYSA-N 0 0 141.214 1.455 10 0 ADAERN Cc1ccc(C(=O)N(C)C#N)s1 306764921 345599823 /nfs/dbraw/zinc/59/98/23/345599823.db2.gz VRRFIYJCQWJWKZ-UHFFFAOYSA-N 0 0 180.232 1.610 10 0 ADAERN O[C@]1(c2ccc[nH]2)CCCOC1 306764318 345599874 /nfs/dbraw/zinc/59/98/74/345599874.db2.gz VJURXXTVNCDRNY-SECBINFHSA-N 0 0 167.208 1.013 10 0 ADAERN CCCC[C@@]1(C)CC(=O)N1 306764464 345599895 /nfs/dbraw/zinc/59/98/95/345599895.db2.gz HIOQBZLVPFTRQH-QMMMGPOBSA-N 0 0 141.214 1.455 10 0 ADAERN Cc1csc(-c2cn[nH]c2)n1 306764880 345599924 /nfs/dbraw/zinc/59/99/24/345599924.db2.gz KZGPVXHSVJZFKP-UHFFFAOYSA-N 0 0 165.221 1.842 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@@H](O)C1(C)C 306764490 345599935 /nfs/dbraw/zinc/59/99/35/345599935.db2.gz HMWYDAKOWIWDMK-DTWKUNHWSA-N 0 0 199.294 1.404 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@H](O)C1(C)C 306764491 345599967 /nfs/dbraw/zinc/59/99/67/345599967.db2.gz HMWYDAKOWIWDMK-IUCAKERBSA-N 0 0 199.294 1.404 10 0 ADAERN CC[C@@H](C)Nc1ccc2nccn2n1 306763922 345599983 /nfs/dbraw/zinc/59/99/83/345599983.db2.gz GSAKKWLWWKGPKQ-MRVPVSSYSA-N 0 0 190.250 1.940 10 0 ADAERN CC(C)(C)CNc1cnsn1 306764728 345599987 /nfs/dbraw/zinc/59/99/87/345599987.db2.gz VLKBEORQTSGKEQ-UHFFFAOYSA-N 0 0 171.269 1.996 10 0 ADAERN CC[C@H]1Cn2cccc2C(=O)N1 306765807 345600315 /nfs/dbraw/zinc/60/03/15/345600315.db2.gz WBQVNZJKWBWJRS-ZETCQYMHSA-N 0 0 164.208 1.010 10 0 ADAERN CSc1cc(C)ncc1C[NH3+] 306765752 345600351 /nfs/dbraw/zinc/60/03/51/345600351.db2.gz ADVHUZALIJAZRL-UHFFFAOYSA-N 0 0 168.265 1.571 10 0 ADAERN COc1nc(F)cc(F)c1F 306765163 345600519 /nfs/dbraw/zinc/60/05/19/345600519.db2.gz HZTUQAVQPPVADZ-UHFFFAOYSA-N 0 0 163.098 1.508 10 0 ADAERN CC(C)Nc1n[nH]c2c1C[C@@H]1C[C@H]21 306765817 345600633 /nfs/dbraw/zinc/60/06/33/345600633.db2.gz NMZXRXSQYICRPF-BQBZGAKWSA-N 0 0 177.251 1.890 10 0 ADAERN CC(C)Nc1n[nH]c2c1C[C@H]1C[C@@H]21 306765832 345600742 /nfs/dbraw/zinc/60/07/42/345600742.db2.gz NMZXRXSQYICRPF-RNFRBKRXSA-N 0 0 177.251 1.890 10 0 ADAERN C[C@H](c1nc(N)n[nH]1)C(C)(C)C 306765896 345600775 /nfs/dbraw/zinc/60/07/75/345600775.db2.gz BEJHUHQRLCJPNB-RXMQYKEDSA-N 0 0 168.244 1.537 10 0 ADAERN CNc1ccc(-n2cccc2)cn1 306766556 345600966 /nfs/dbraw/zinc/60/09/66/345600966.db2.gz WULNROXTLJBZAI-UHFFFAOYSA-N 0 0 173.219 1.914 10 0 ADAERN CCNC(=O)N1CCCC[C@@H](F)C1 306766573 345600985 /nfs/dbraw/zinc/60/09/85/345600985.db2.gz WWEGSJYDPQJUDA-MRVPVSSYSA-N 0 0 188.246 1.540 10 0 ADAERN CCc1nc(C)c(NC(N)=O)s1 306766194 345600995 /nfs/dbraw/zinc/60/09/95/345600995.db2.gz WLDVSYVQFBYXJG-UHFFFAOYSA-N 0 0 185.252 1.505 10 0 ADAERN Cc1cc(N2[C@@H](C)C[C@H]2C)ncn1 306766302 345601003 /nfs/dbraw/zinc/60/10/03/345601003.db2.gz WPSVFUVPOYTXLO-DTORHVGOSA-N 0 0 177.251 1.772 10 0 ADAERN CNc1nc([C@@H]2CC[C@H](C)O2)ns1 306766329 345601031 /nfs/dbraw/zinc/60/10/31/345601031.db2.gz BKTBGCANANUKKN-WDSKDSINSA-N 0 0 199.279 1.820 10 0 ADAERN CC(C)[C@H](C)C(=O)Nc1cn[nH]n1 306766671 345601075 /nfs/dbraw/zinc/60/10/75/345601075.db2.gz XASWCZFOPSNGOE-LURJTMIESA-N 0 0 182.227 1.035 10 0 ADAERN FC1(F)C[C@H]1CNc1cccnn1 306766545 345601087 /nfs/dbraw/zinc/60/10/87/345601087.db2.gz WTCMUNHJIRGASW-LURJTMIESA-N 0 0 185.177 1.544 10 0 ADAERN Cc1cc(N2[C@@H](C)C[C@@H]2C)ncn1 306766304 345601106 /nfs/dbraw/zinc/60/11/06/345601106.db2.gz WPSVFUVPOYTXLO-IUCAKERBSA-N 0 0 177.251 1.772 10 0 ADAERN CNc1nc([C@H]2CC[C@H](C)O2)ns1 306766324 345601112 /nfs/dbraw/zinc/60/11/12/345601112.db2.gz BKTBGCANANUKKN-NTSWFWBYSA-N 0 0 199.279 1.820 10 0 ADAERN FC1(F)C[C@@H]1CNc1cccnn1 306766546 345601221 /nfs/dbraw/zinc/60/12/21/345601221.db2.gz WTCMUNHJIRGASW-ZCFIWIBFSA-N 0 0 185.177 1.544 10 0 ADAERN CCNC(=O)N1CCCC[C@H](F)C1 306766574 345601289 /nfs/dbraw/zinc/60/12/89/345601289.db2.gz WWEGSJYDPQJUDA-QMMMGPOBSA-N 0 0 188.246 1.540 10 0 ADAERN C[C@H]1CC[C@H]([C@H](C)CO)[C@H](O)C1 306766293 345601308 /nfs/dbraw/zinc/60/13/08/345601308.db2.gz BINZTUGHCIRHLP-SGIHWFKDSA-N 0 0 172.268 1.412 10 0 ADAERN Cc1cc(N2[C@H](C)C[C@H]2C)ncn1 306766307 345601376 /nfs/dbraw/zinc/60/13/76/345601376.db2.gz WPSVFUVPOYTXLO-RKDXNWHRSA-N 0 0 177.251 1.772 10 0 ADAERN CNc1nc([C@@H]2CC[C@@H](C)O2)ns1 306766327 345601401 /nfs/dbraw/zinc/60/14/01/345601401.db2.gz BKTBGCANANUKKN-RITPCOANSA-N 0 0 199.279 1.820 10 0 ADAERN CC(C)[C@@H](C)C(=O)Nc1cn[nH]n1 306766674 345601405 /nfs/dbraw/zinc/60/14/05/345601405.db2.gz XASWCZFOPSNGOE-ZCFIWIBFSA-N 0 0 182.227 1.035 10 0 ADAERN CNc1nc([C@H]2CC[C@@H](C)O2)ns1 306766326 345601445 /nfs/dbraw/zinc/60/14/45/345601445.db2.gz BKTBGCANANUKKN-PHDIDXHHSA-N 0 0 199.279 1.820 10 0 ADAERN CNc1nc(-c2coc(C)n2)no1 306767130 345601607 /nfs/dbraw/zinc/60/16/07/345601607.db2.gz XQJKMEIVCSIWBK-UHFFFAOYSA-N 0 0 180.167 1.075 10 0 ADAERN CCCC[C@@]1(C)CNC(=O)O1 306767206 345601610 /nfs/dbraw/zinc/60/16/10/345601610.db2.gz OSEQLCCYGQFXIX-QMMMGPOBSA-N 0 0 157.213 1.675 10 0 ADAERN CCCC[C@]1(C)CNC(=O)O1 306767204 345601639 /nfs/dbraw/zinc/60/16/39/345601639.db2.gz OSEQLCCYGQFXIX-MRVPVSSYSA-N 0 0 157.213 1.675 10 0 ADAERN CCNC(=O)N1CCC2(CC2)C1 306767393 345601670 /nfs/dbraw/zinc/60/16/70/345601670.db2.gz CLYPSTAIUKZOSO-UHFFFAOYSA-N 0 0 168.240 1.202 10 0 ADAERN Cc1nnc(Cl)n1CCF 306767429 345601678 /nfs/dbraw/zinc/60/16/78/345601678.db2.gz OWQKEBNNBAJPKO-UHFFFAOYSA-N 0 0 163.583 1.209 10 0 ADAERN CCNc1nc2c(s1)CC(=O)CC2 306766958 345601926 /nfs/dbraw/zinc/60/19/26/345601926.db2.gz XOLGKMYUKXFLCA-UHFFFAOYSA-N 0 0 196.275 1.633 10 0 ADAERN CC(=O)NCC1(F)CCC1 306766940 345601983 /nfs/dbraw/zinc/60/19/83/345601983.db2.gz XNMCABYFUHCGEF-UHFFFAOYSA-N 0 0 145.177 1.015 10 0 ADAERN CNc1ccc(OC(F)F)cn1 306767310 345602009 /nfs/dbraw/zinc/60/20/09/345602009.db2.gz XXPSIPQCALCNHG-UHFFFAOYSA-N 0 0 174.150 1.725 10 0 ADAERN COC1(C)C[NH+]([C@@H]2CCCC[C@@H]2O)C1 306768160 345602189 /nfs/dbraw/zinc/60/21/89/345602189.db2.gz PNFNGDOBWCBQGP-ZJUUUORDSA-N 0 0 199.294 1.011 10 0 ADAERN COC1(C)C[NH+]([C@H]2CCCC[C@@H]2O)C1 306768158 345602294 /nfs/dbraw/zinc/60/22/94/345602294.db2.gz PNFNGDOBWCBQGP-UWVGGRQHSA-N 0 0 199.294 1.011 10 0 ADAERN COC1(C)C[NH+]([C@H]2CCCC[C@H]2O)C1 306768159 345602324 /nfs/dbraw/zinc/60/23/24/345602324.db2.gz PNFNGDOBWCBQGP-VHSXEESVSA-N 0 0 199.294 1.011 10 0 ADAERN COC1(C)C[NH+]([C@@H]2CCCC[C@H]2O)C1 306768157 345602436 /nfs/dbraw/zinc/60/24/36/345602436.db2.gz PNFNGDOBWCBQGP-NXEZZACHSA-N 0 0 199.294 1.011 10 0 ADAERN Cc1cccc(F)c1C(=O)N1CC1 306767542 345602487 /nfs/dbraw/zinc/60/24/87/345602487.db2.gz YBLXKELCQLAHQS-UHFFFAOYSA-N 0 0 179.194 1.590 10 0 ADAERN Cn1ccc(C(=O)c2ccns2)n1 306768181 345602509 /nfs/dbraw/zinc/60/25/09/345602509.db2.gz DGQXQPFOXQRPFW-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CC(C)NC(=O)[C@@H]1CCC(C)(C)O1 306768507 345602769 /nfs/dbraw/zinc/60/27/69/345602769.db2.gz ZEYVROZPSGYBED-QMMMGPOBSA-N 0 0 185.267 1.469 10 0 ADAERN CSc1ccnc(=S)[nH]1 306768432 345602779 /nfs/dbraw/zinc/60/27/79/345602779.db2.gz PURQGPDJMIJXAB-UHFFFAOYSA-N 0 0 158.251 1.487 10 0 ADAERN CC(C)NC(=O)[C@H]1CCC(C)(C)O1 306768506 345602817 /nfs/dbraw/zinc/60/28/17/345602817.db2.gz ZEYVROZPSGYBED-MRVPVSSYSA-N 0 0 185.267 1.469 10 0 ADAERN Cc1nc(CC2CC2)oc1C(N)=O 306768745 345602938 /nfs/dbraw/zinc/60/29/38/345602938.db2.gz ZJRPRGNFMUAEPU-UHFFFAOYSA-N 0 0 180.207 1.034 10 0 ADAERN Cc1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1 306768518 345602941 /nfs/dbraw/zinc/60/29/41/345602941.db2.gz DRPMPDUMKAAUQH-ILWJIGKKSA-N 0 0 189.262 1.995 10 0 ADAERN CC[C@]1(C)C[C@H]1Nc1cnnn1C 306769135 345603455 /nfs/dbraw/zinc/60/34/55/345603455.db2.gz ATEUYAGJEPBXHB-VXNVDRBHSA-N 0 0 180.255 1.416 10 0 ADAERN Cc1nc(-c2cnc[nH]c2=O)cs1 306769688 345603456 /nfs/dbraw/zinc/60/34/56/345603456.db2.gz QLEFHOLHTWRHAY-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC(=O)n1[n-]cc2ccc(=[NH2+])cc1-2 306769376 345603461 /nfs/dbraw/zinc/60/34/61/345603461.db2.gz AGCLXBVMBMPJOV-UHFFFAOYSA-N 0 0 175.191 1.061 10 0 ADAERN Cc1cc(N[S@](C)=O)c(C)cc1O 306769840 345603488 /nfs/dbraw/zinc/60/34/88/345603488.db2.gz BFFULFOAUUJMSN-ZDUSSCGKSA-N 0 0 199.275 1.714 10 0 ADAERN Nc1cnc(N2CC=CC2)c(Cl)c1 306769774 345603518 /nfs/dbraw/zinc/60/35/18/345603518.db2.gz AMPPWBHDYCWLMW-UHFFFAOYSA-N 0 0 195.653 1.693 10 0 ADAERN Cc1cc(N[S@@](C)=O)c(C)cc1O 306769839 345603521 /nfs/dbraw/zinc/60/35/21/345603521.db2.gz BFFULFOAUUJMSN-CYBMUJFWSA-N 0 0 199.275 1.714 10 0 ADAERN C[C@@H]1CCN1C(=O)c1ccncc1 306770177 345603523 /nfs/dbraw/zinc/60/35/23/345603523.db2.gz ALDJQNDLDOLPIV-MRVPVSSYSA-N 0 0 176.219 1.316 10 0 ADAERN Cc1nc(NCC(C)(C)C)nn1C 306769471 345603560 /nfs/dbraw/zinc/60/35/60/345603560.db2.gz AIUXFZLRHRRMEP-UHFFFAOYSA-N 0 0 182.271 1.582 10 0 ADAERN Cn1ccc([C@@H]2NC(C)(C)CS2)n1 306769739 345603591 /nfs/dbraw/zinc/60/35/91/345603591.db2.gz AINUJPUDDGATMN-MRVPVSSYSA-N 0 0 197.307 1.534 10 0 ADAERN Cn1ccc([C@H]2NC(C)(C)CS2)n1 306769740 345603649 /nfs/dbraw/zinc/60/36/49/345603649.db2.gz AINUJPUDDGATMN-QMMMGPOBSA-N 0 0 197.307 1.534 10 0 ADAERN COC(C)(C)Cn1ccccc1=O 306769860 345603655 /nfs/dbraw/zinc/60/36/55/345603655.db2.gz BGXAVSVRYXHJHI-UHFFFAOYSA-N 0 0 181.235 1.273 10 0 ADAERN C[C@H]1CCN1C(=O)c1ccncc1 306770183 345603665 /nfs/dbraw/zinc/60/36/65/345603665.db2.gz ALDJQNDLDOLPIV-QMMMGPOBSA-N 0 0 176.219 1.316 10 0 ADAERN O=C([O-])C1(C2CCCCC2)C[NH2+]C1 306769585 345603674 /nfs/dbraw/zinc/60/36/74/345603674.db2.gz FPARIWRGHWITBX-UHFFFAOYSA-N 0 0 183.251 1.241 10 0 ADAERN Cc1cocc1C(=O)c1cnn(C)c1 306769887 345603692 /nfs/dbraw/zinc/60/36/92/345603692.db2.gz BLKOJWMQCZBHJR-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN CN1C(=O)C2(CCCC2)NC1(C)C 306769713 345603694 /nfs/dbraw/zinc/60/36/94/345603694.db2.gz QMQSMKJEOASISI-UHFFFAOYSA-N 0 0 182.267 1.097 10 0 ADAERN COc1cccc2c1CC2=O 306770756 345603877 /nfs/dbraw/zinc/60/38/77/345603877.db2.gz BXBZHWAULWWNOU-UHFFFAOYSA-N 0 0 148.161 1.434 10 0 ADAERN C[C@@H]1CSC[C@@]12CC(=O)N[C@H]2C 306771082 345603886 /nfs/dbraw/zinc/60/38/86/345603886.db2.gz GFHLMXKAQURVME-FJXKBIBVSA-N 0 0 185.292 1.264 10 0 ADAERN CC(=O)N[C@H]1C[C@@H]1CC(C)C 306770551 345603891 /nfs/dbraw/zinc/60/38/91/345603891.db2.gz QQDNNDGFZRUJIZ-IUCAKERBSA-N 0 0 155.241 1.557 10 0 ADAERN CCc1c[nH]c(N2CCC[C@@H]2C)n1 306770407 345603991 /nfs/dbraw/zinc/60/39/91/345603991.db2.gz ANFYZVAAXSKOEA-QMMMGPOBSA-N 0 0 179.267 1.961 10 0 ADAERN C[C@@H]1CSC[C@]12CC(=O)N[C@H]2C 306771081 345604008 /nfs/dbraw/zinc/60/40/08/345604008.db2.gz GFHLMXKAQURVME-BKPPORCPSA-N 0 0 185.292 1.264 10 0 ADAERN CCc1c[nH]c(N2CCC[C@H]2C)n1 306770385 345604118 /nfs/dbraw/zinc/60/41/18/345604118.db2.gz ANFYZVAAXSKOEA-MRVPVSSYSA-N 0 0 179.267 1.961 10 0 ADAERN C[C@@H]1CSC[C@]12CC(=O)N[C@@H]2C 306771083 345604242 /nfs/dbraw/zinc/60/42/42/345604242.db2.gz GFHLMXKAQURVME-ZXFLCMHBSA-N 0 0 185.292 1.264 10 0 ADAERN CC(=O)N[C@H]1C[C@H]1CC(C)C 306770545 345604289 /nfs/dbraw/zinc/60/42/89/345604289.db2.gz QQDNNDGFZRUJIZ-BDAKNGLRSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1c(F)ccc2c1OCC2=O 306771582 345604417 /nfs/dbraw/zinc/60/44/17/345604417.db2.gz CPIWFATXDIIBQB-UHFFFAOYSA-N 0 0 166.151 1.709 10 0 ADAERN CCc1c[nH]c(N2CCOC[C@@H]2C)n1 306771895 345604428 /nfs/dbraw/zinc/60/44/28/345604428.db2.gz CSZUUJDWMZKNTB-QMMMGPOBSA-N 0 0 195.266 1.197 10 0 ADAERN CCc1c[nH]c(N2CCOC[C@H]2C)n1 306771894 345604436 /nfs/dbraw/zinc/60/44/36/345604436.db2.gz CSZUUJDWMZKNTB-MRVPVSSYSA-N 0 0 195.266 1.197 10 0 ADAERN FC(F)c1nccnc1NC1CC1 306771990 345604441 /nfs/dbraw/zinc/60/44/41/345604441.db2.gz RXTKTNBLJCICRD-UHFFFAOYSA-N 0 0 185.177 1.989 10 0 ADAERN CCC[S@](=O)Nc1cccc(O)c1 306771989 345604444 /nfs/dbraw/zinc/60/44/44/345604444.db2.gz CUOQZGMTDYREBN-ZDUSSCGKSA-N 0 0 199.275 1.878 10 0 ADAERN CCC[S@@](=O)Nc1cccc(O)c1 306771980 345604567 /nfs/dbraw/zinc/60/45/67/345604567.db2.gz CUOQZGMTDYREBN-CYBMUJFWSA-N 0 0 199.275 1.878 10 0 ADAERN Nc1cccc(Cl)c1N1CC(O)C1 306771694 345604571 /nfs/dbraw/zinc/60/45/71/345604571.db2.gz RQHSGJWVUIWJJD-UHFFFAOYSA-N 0 0 198.653 1.103 10 0 ADAERN CC1=CCN(c2ncc(N)s2)CC1 306771992 345604682 /nfs/dbraw/zinc/60/46/82/345604682.db2.gz RYBLNNLIWJQRLQ-UHFFFAOYSA-N 0 0 195.291 1.882 10 0 ADAERN C[C@]1([C@H]2CC(=O)N2)CCCS1 306772479 345605013 /nfs/dbraw/zinc/60/50/13/345605013.db2.gz SKXGPSJEYLDRPH-HTRCEHHLSA-N 0 0 171.265 1.161 10 0 ADAERN C[C@@]1([C@H]2CC(=O)N2)CCCS1 306772482 345605116 /nfs/dbraw/zinc/60/51/16/345605116.db2.gz SKXGPSJEYLDRPH-SVRRBLITSA-N 0 0 171.265 1.161 10 0 ADAERN C[C@@]1([C@@H]2CC(=O)N2)CCCS1 306772484 345605234 /nfs/dbraw/zinc/60/52/34/345605234.db2.gz SKXGPSJEYLDRPH-XPUUQOCRSA-N 0 0 171.265 1.161 10 0 ADAERN C[C@]1([C@@H]2CC(=O)N2)CCCS1 306772481 345605389 /nfs/dbraw/zinc/60/53/89/345605389.db2.gz SKXGPSJEYLDRPH-POYBYMJQSA-N 0 0 171.265 1.161 10 0 ADAERN C/C=C/C(=O)N[C@@H]1COC(C)(C)C1 306773075 345605553 /nfs/dbraw/zinc/60/55/53/345605553.db2.gz IEPYVLBOTBCBTP-ZJELKQJVSA-N 0 0 183.251 1.246 10 0 ADAERN C/C=C/C(=O)N[C@H]1COC(C)(C)C1 306773074 345605678 /nfs/dbraw/zinc/60/56/78/345605678.db2.gz IEPYVLBOTBCBTP-WTSVBCDHSA-N 0 0 183.251 1.246 10 0 ADAERN c1nnc(NC2CSC2)s1 306773066 345605692 /nfs/dbraw/zinc/60/56/92/345605692.db2.gz IDGPSLWSDYVAIA-UHFFFAOYSA-N 0 0 173.266 1.065 10 0 ADAERN Clc1nccc([C@@H]2CCOC2)n1 306775344 345606703 /nfs/dbraw/zinc/60/67/03/345606703.db2.gz WTQFIIRRHHHEON-ZCFIWIBFSA-N 0 0 184.626 1.634 10 0 ADAERN Cc1c[nH]c(=S)n1CC1CN(C)C1 306775474 345606800 /nfs/dbraw/zinc/60/68/00/345606800.db2.gz WVTQSQDWCCCBKZ-UHFFFAOYSA-N 0 0 197.307 1.042 10 0 ADAERN OCc1ccc(NC2CSC2)cc1 306775737 345606824 /nfs/dbraw/zinc/60/68/24/345606824.db2.gz MEXXMTNLSQWEOT-UHFFFAOYSA-N 0 0 195.287 1.706 10 0 ADAERN Cn1nccc1-c1cnc(Cl)cn1 306775454 345606839 /nfs/dbraw/zinc/60/68/39/345606839.db2.gz LQXNSSQUJWXOHH-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Clc1nccc([C@H]2CCOC2)n1 306775343 345606860 /nfs/dbraw/zinc/60/68/60/345606860.db2.gz WTQFIIRRHHHEON-LURJTMIESA-N 0 0 184.626 1.634 10 0 ADAERN Cc1cc(N)c(N[S@](C)=O)cc1C 306775487 345606904 /nfs/dbraw/zinc/60/69/04/345606904.db2.gz WWZJISWKIHNUHG-ZDUSSCGKSA-N 0 0 198.291 1.591 10 0 ADAERN Cc1cc(N)c(N[S@@](C)=O)cc1C 306775486 345606959 /nfs/dbraw/zinc/60/69/59/345606959.db2.gz WWZJISWKIHNUHG-CYBMUJFWSA-N 0 0 198.291 1.591 10 0 ADAERN Nc1csc(C(=O)N2CCCO2)c1 306776572 345607077 /nfs/dbraw/zinc/60/70/77/345607077.db2.gz ZESZDCNMKNAGOS-UHFFFAOYSA-N 0 0 198.247 1.108 10 0 ADAERN C[C@@]1(C2CCC2)COCC[NH2+]1 306776339 345607112 /nfs/dbraw/zinc/60/71/12/345607112.db2.gz YQJNDYCLLZLKKF-VIFPVBQESA-N 0 0 155.241 1.165 10 0 ADAERN C[C@@H](C(F)F)N1CCCNC1=O 306776300 345607189 /nfs/dbraw/zinc/60/71/89/345607189.db2.gz YMDAXCCONVCFGF-YFKPBYRVSA-N 0 0 178.182 1.055 10 0 ADAERN FC(F)C[NH2+][C@H]1CC[C@@H]2C[C@H]12 306776225 345607470 /nfs/dbraw/zinc/60/74/70/345607470.db2.gz YGUHZFHVHUFWHZ-VQVTYTSYSA-N 0 0 161.195 1.640 10 0 ADAERN C[C@]1(C2CCC2)COCC[NH2+]1 306776338 345607455 /nfs/dbraw/zinc/60/74/55/345607455.db2.gz YQJNDYCLLZLKKF-SECBINFHSA-N 0 0 155.241 1.165 10 0 ADAERN C[C@H](C(F)F)N1CCCNC1=O 306776299 345607477 /nfs/dbraw/zinc/60/74/77/345607477.db2.gz YMDAXCCONVCFGF-RXMQYKEDSA-N 0 0 178.182 1.055 10 0 ADAERN C[C@H]1C(=O)NC[C@@]1(C)CC1CCC1 306777390 345607640 /nfs/dbraw/zinc/60/76/40/345607640.db2.gz NERNTTNWDDPHNZ-GZMMTYOYSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H](c1ccco1)n1cnc(N)n1 306776828 345607672 /nfs/dbraw/zinc/60/76/72/345607672.db2.gz ZZJAUEIKPUNCDF-ZCFIWIBFSA-N 0 0 178.195 1.063 10 0 ADAERN CC(C)[C@]1(C)C[C@H]1NC#N 306776932 345607684 /nfs/dbraw/zinc/60/76/84/345607684.db2.gz MQYOHSGMDCLPOR-SFYZADRCSA-N 0 0 138.214 1.492 10 0 ADAERN C[C@@H](c1ccco1)n1cnc(N)n1 306776827 345607687 /nfs/dbraw/zinc/60/76/87/345607687.db2.gz ZZJAUEIKPUNCDF-LURJTMIESA-N 0 0 178.195 1.063 10 0 ADAERN CC[C@]1(C)C[C@H]1NC(=O)OC 306777136 345607690 /nfs/dbraw/zinc/60/76/90/345607690.db2.gz MVLLUAGCTXEYEK-HTRCEHHLSA-N 0 0 157.213 1.531 10 0 ADAERN CC(C)[C@@]1(C)C[C@H]1NC#N 306776930 345607713 /nfs/dbraw/zinc/60/77/13/345607713.db2.gz MQYOHSGMDCLPOR-HTQZYQBOSA-N 0 0 138.214 1.492 10 0 ADAERN Cc1ncc(-c2cnc(N)s2)n1C 306777864 345607997 /nfs/dbraw/zinc/60/79/97/345607997.db2.gz OWMOWHPTONJDOW-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC1(C2(N3CN=NC3=S)CC2)CC1 306777938 345608049 /nfs/dbraw/zinc/60/80/49/345608049.db2.gz NXXQXMPFANRLNW-UHFFFAOYSA-N 0 0 195.291 1.856 10 0 ADAERN C[C@]1(C(=O)c2cc[nH]c2)C[C@@H]1F 306778179 345608289 /nfs/dbraw/zinc/60/82/89/345608289.db2.gz OLPRJYKQFPNDQO-CBAPKCEASA-N 0 0 167.183 1.946 10 0 ADAERN C[C@]1(C(=O)c2cc[nH]c2)C[C@H]1F 306778178 345608363 /nfs/dbraw/zinc/60/83/63/345608363.db2.gz OLPRJYKQFPNDQO-APPZFPTMSA-N 0 0 167.183 1.946 10 0 ADAERN C[C@@]1(C(=O)c2cc[nH]c2)C[C@@H]1F 306778180 345608400 /nfs/dbraw/zinc/60/84/00/345608400.db2.gz OLPRJYKQFPNDQO-IONNQARKSA-N 0 0 167.183 1.946 10 0 ADAERN C[C@@]1(C(=O)c2cc[nH]c2)C[C@H]1F 306778182 345608472 /nfs/dbraw/zinc/60/84/72/345608472.db2.gz OLPRJYKQFPNDQO-VXNVDRBHSA-N 0 0 167.183 1.946 10 0 ADAERN CC1(NC(=O)C2=COCCC2)CC1 306779498 345608740 /nfs/dbraw/zinc/60/87/40/345608740.db2.gz XALNVMAHHQATLJ-UHFFFAOYSA-N 0 0 181.235 1.349 10 0 ADAERN C[C@@H]1C[N@H+](Cc2cnc[nH]2)[C@@H]1C 306779935 345608749 /nfs/dbraw/zinc/60/87/49/345608749.db2.gz IFIAVFCVGUBYMA-HTQZYQBOSA-N 0 0 165.240 1.250 10 0 ADAERN C[C@H]1[C@H](C)C[N@@H+]1Cc1cnc[nH]1 306779941 345608783 /nfs/dbraw/zinc/60/87/83/345608783.db2.gz IFIAVFCVGUBYMA-SFYZADRCSA-N 0 0 165.240 1.250 10 0 ADAERN C[C@H](N(C)c1ccncn1)C(C)(C)O 306779894 345608811 /nfs/dbraw/zinc/60/88/11/345608811.db2.gz ZRNNXJOTAVJNLC-QMMMGPOBSA-N 0 0 195.266 1.072 10 0 ADAERN C[C@H]1C[N@H+](Cc2cnc[nH]2)[C@H]1C 306779945 345608815 /nfs/dbraw/zinc/60/88/15/345608815.db2.gz IFIAVFCVGUBYMA-YUMQZZPRSA-N 0 0 165.240 1.250 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)Nc1cocn1 306780102 345608873 /nfs/dbraw/zinc/60/88/73/345608873.db2.gz ILAHQIZBVVAJTE-PHDIDXHHSA-N 0 0 181.195 1.205 10 0 ADAERN Cc1nn(C)cc1[C@@H]1CC[C@@H](O)[C@H]1C 306779493 345608918 /nfs/dbraw/zinc/60/89/18/345608918.db2.gz WZGKUGFKVOLGEH-JVUFJMBOSA-N 0 0 194.278 1.603 10 0 ADAERN Cc1nn(C)cc1[C@@H]1CC[C@H](O)[C@@H]1C 306779495 345608931 /nfs/dbraw/zinc/60/89/31/345608931.db2.gz WZGKUGFKVOLGEH-ZOFUNIGCSA-N 0 0 194.278 1.603 10 0 ADAERN CC/C=C/CCNOC 306779964 345608948 /nfs/dbraw/zinc/60/89/48/345608948.db2.gz IFLXOJFQJOPOFG-SNAWJCMRSA-N 0 0 129.203 1.494 10 0 ADAERN C/C=C(C)/C=C/C(=O)NC 306779947 345608980 /nfs/dbraw/zinc/60/89/80/345608980.db2.gz BJWYQNOCCYFDHR-HVUXDCMCSA-N 0 0 139.198 1.255 10 0 ADAERN Cc1cnn(C)c1C(C)(C)C[C@H](C)O 306779981 345608987 /nfs/dbraw/zinc/60/89/87/345608987.db2.gz BOWZWTGKHABUIW-VIFPVBQESA-N 0 0 196.294 1.777 10 0 ADAERN Cc1nn(C)cc1[C@@H]1CC[C@@H](O)[C@@H]1C 306779492 345608989 /nfs/dbraw/zinc/60/89/89/345608989.db2.gz WZGKUGFKVOLGEH-BCMRRPTOSA-N 0 0 194.278 1.603 10 0 ADAERN Cc1cnn(C)c1C(C)(C)C[C@@H](C)O 306779979 345609029 /nfs/dbraw/zinc/60/90/29/345609029.db2.gz BOWZWTGKHABUIW-SECBINFHSA-N 0 0 196.294 1.777 10 0 ADAERN Cc1nn(C)cc1[C@@H]1CC[C@H](O)[C@H]1C 306779494 345609036 /nfs/dbraw/zinc/60/90/36/345609036.db2.gz WZGKUGFKVOLGEH-NMLBEHRDSA-N 0 0 194.278 1.603 10 0 ADAERN C[C@H]1C[C@H](C)N1Cc1ncccn1 306779588 345609081 /nfs/dbraw/zinc/60/90/81/345609081.db2.gz XPJGLNBLWORXNS-IUCAKERBSA-N 0 0 177.251 1.459 10 0 ADAERN Cc1c(N)cccc1N=S(C)(C)=O 306779225 345609172 /nfs/dbraw/zinc/60/91/72/345609172.db2.gz UZCNAXFPFGJFQT-UHFFFAOYSA-N 0 0 198.291 1.936 10 0 ADAERN C[C@@H](N(C)c1ccncn1)C(C)(C)O 306779893 345609198 /nfs/dbraw/zinc/60/91/98/345609198.db2.gz ZRNNXJOTAVJNLC-MRVPVSSYSA-N 0 0 195.266 1.072 10 0 ADAERN C[C@H]1C[N@H+](Cc2cnc[nH]2)[C@@H]1C 306779937 345609252 /nfs/dbraw/zinc/60/92/52/345609252.db2.gz IFIAVFCVGUBYMA-JGVFFNPUSA-N 0 0 165.240 1.250 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1cccn1C 306779846 345609272 /nfs/dbraw/zinc/60/92/72/345609272.db2.gz ZGVFZECSBWFWQP-JGVFFNPUSA-N 0 0 178.235 1.163 10 0 ADAERN C[C@@H](Nc1ncns1)C(F)(F)F 306780346 345609507 /nfs/dbraw/zinc/60/95/07/345609507.db2.gz BFWZTFQIDMQISX-GSVOUGTGSA-N 0 0 197.185 1.901 10 0 ADAERN CC[C@H](C)N(C)c1ncc[nH]1 306780572 345609498 /nfs/dbraw/zinc/60/94/98/345609498.db2.gz IZDIWKRZLKVLJH-ZETCQYMHSA-N 0 0 153.229 1.644 10 0 ADAERN C[C@@H]1CC(NCC2CCCC2)=NO1 306780204 345609529 /nfs/dbraw/zinc/60/95/29/345609529.db2.gz BVJJULWYZQMBDD-MRVPVSSYSA-N 0 0 182.267 1.889 10 0 ADAERN C[C@H]1CC(NCC2CCCC2)=NO1 306780207 345609796 /nfs/dbraw/zinc/60/97/96/345609796.db2.gz BVJJULWYZQMBDD-QMMMGPOBSA-N 0 0 182.267 1.889 10 0 ADAERN C[C@H](Nc1ncns1)C(F)(F)F 306780354 345609620 /nfs/dbraw/zinc/60/96/20/345609620.db2.gz BFWZTFQIDMQISX-VKHMYHEASA-N 0 0 197.185 1.901 10 0 ADAERN Cc1nn(C)cc1[C@@]1(O)CCC[C@@H]1C 306780249 345609659 /nfs/dbraw/zinc/60/96/59/345609659.db2.gz PPNDBOUZGAKJLB-GZMMTYOYSA-N 0 0 194.278 1.736 10 0 ADAERN Cc1nn(C)cc1[C@@]1(O)CCC[C@H]1C 306780274 345609751 /nfs/dbraw/zinc/60/97/51/345609751.db2.gz PPNDBOUZGAKJLB-LDYMZIIASA-N 0 0 194.278 1.736 10 0 ADAERN Cc1nn(C)cc1[C@]1(O)CCC[C@@H]1C 306780265 345609756 /nfs/dbraw/zinc/60/97/56/345609756.db2.gz PPNDBOUZGAKJLB-KWQFWETISA-N 0 0 194.278 1.736 10 0 ADAERN Cc1nn(C)cc1[C@]1(O)CCC[C@H]1C 306780257 345609841 /nfs/dbraw/zinc/60/98/41/345609841.db2.gz PPNDBOUZGAKJLB-KCJUWKMLSA-N 0 0 194.278 1.736 10 0 ADAERN C[C@@H]1C(=O)NC(=O)CC12CC(C)(C)C2 306780244 345609864 /nfs/dbraw/zinc/60/98/64/345609864.db2.gz IQKKNFJAXJQWMA-SSDOTTSWSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@H]1C(=O)NC(=O)CC12CC(C)(C)C2 306780248 345609894 /nfs/dbraw/zinc/60/98/94/345609894.db2.gz IQKKNFJAXJQWMA-ZETCQYMHSA-N 0 0 195.262 1.475 10 0 ADAERN CC[C@@H](C)N(C)c1ncc[nH]1 306780570 345609905 /nfs/dbraw/zinc/60/99/05/345609905.db2.gz IZDIWKRZLKVLJH-SSDOTTSWSA-N 0 0 153.229 1.644 10 0 ADAERN O=C(C1CCC1)[C@@H]1[C@H]2COC[C@H]21 306781577 345610065 /nfs/dbraw/zinc/61/00/65/345610065.db2.gz FHQPFVYLKJZXQW-BRPSZJMVSA-N 0 0 166.220 1.248 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@]1(N)C(F)(F)F 306781691 345610116 /nfs/dbraw/zinc/61/01/16/345610116.db2.gz FIPCUYIKERRALY-SRQIZXRXSA-N 0 0 183.173 1.444 10 0 ADAERN c1c[nH]c(CN2C[C@@H]3CCC[C@H]32)n1 306781624 345610152 /nfs/dbraw/zinc/61/01/52/345610152.db2.gz DZXKORGBCGRQEM-DTWKUNHWSA-N 0 0 177.251 1.394 10 0 ADAERN c1c[nH]c(CN2C[C@H]3CCC[C@@H]32)n1 306781611 345610206 /nfs/dbraw/zinc/61/02/06/345610206.db2.gz DZXKORGBCGRQEM-BDAKNGLRSA-N 0 0 177.251 1.394 10 0 ADAERN COC(=O)N[C@@H]1CCCC1(F)F 306780984 345610224 /nfs/dbraw/zinc/61/02/24/345610224.db2.gz DYVXEDAOXXTEIM-RXMQYKEDSA-N 0 0 179.166 1.530 10 0 ADAERN C[C@@H]1C[C@@](N)(C(F)(F)F)[C@@H](C)O1 306781688 345610233 /nfs/dbraw/zinc/61/02/33/345610233.db2.gz FIPCUYIKERRALY-PBXRRBTRSA-N 0 0 183.173 1.444 10 0 ADAERN COC(=O)N[C@H]1CCCC1(F)F 306780988 345610256 /nfs/dbraw/zinc/61/02/56/345610256.db2.gz DYVXEDAOXXTEIM-YFKPBYRVSA-N 0 0 179.166 1.530 10 0 ADAERN Cc1sccc1[C@@H]1CC(=O)N1 306781718 345610271 /nfs/dbraw/zinc/61/02/71/345610271.db2.gz BUCSWYISHJLYED-ZETCQYMHSA-N 0 0 167.233 1.618 10 0 ADAERN O=c1[nH]ccnc1-c1cscn1 306781572 345610322 /nfs/dbraw/zinc/61/03/22/345610322.db2.gz DYJUYKYHQHZEKL-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cc1sccc1[C@H]1CC(=O)N1 306781714 345610376 /nfs/dbraw/zinc/61/03/76/345610376.db2.gz BUCSWYISHJLYED-SSDOTTSWSA-N 0 0 167.233 1.618 10 0 ADAERN Nc1cnc(N2CCC=C(F)C2)cn1 306781078 345610397 /nfs/dbraw/zinc/61/03/97/345610397.db2.gz BLISNJCOKIIKAL-UHFFFAOYSA-N 0 0 194.213 1.122 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@]1(N)C(F)(F)F 306781684 345610426 /nfs/dbraw/zinc/61/04/26/345610426.db2.gz FIPCUYIKERRALY-NGJCXOISSA-N 0 0 183.173 1.444 10 0 ADAERN CNc1nc(-c2cncnc2)ns1 306781443 345610455 /nfs/dbraw/zinc/61/04/55/345610455.db2.gz FCOKXZRUCSEALS-UHFFFAOYSA-N 0 0 193.235 1.037 10 0 ADAERN C=C(Cl)C(=O)Nc1ncc[nH]1 306781069 345610487 /nfs/dbraw/zinc/61/04/87/345610487.db2.gz FBMJNOAETBOPAR-UHFFFAOYSA-N 0 0 171.587 1.101 10 0 ADAERN CCN(OC)c1ccc(C)cc1N 306782372 345610654 /nfs/dbraw/zinc/61/06/54/345610654.db2.gz QNYKEPAYVSDAGN-UHFFFAOYSA-N 0 0 180.251 1.965 10 0 ADAERN CC[C@@H]1CC[C@@](O)(c2cn(C)nn2)C1 306781975 345610674 /nfs/dbraw/zinc/61/06/74/345610674.db2.gz KBLDAJWPQDSXQS-SCZZXKLOSA-N 0 0 195.266 1.213 10 0 ADAERN CCNc1ncnc2ccncc12 306782408 345610705 /nfs/dbraw/zinc/61/07/05/345610705.db2.gz FTMPVILGGHUWSM-UHFFFAOYSA-N 0 0 174.207 1.457 10 0 ADAERN CC[C@@H]1CC[C@](O)(c2cn(C)nn2)C1 306781965 345610734 /nfs/dbraw/zinc/61/07/34/345610734.db2.gz KBLDAJWPQDSXQS-PSASIEDQSA-N 0 0 195.266 1.213 10 0 ADAERN CC[C@H]1CC[C@](O)(c2cn(C)nn2)C1 306781986 345610775 /nfs/dbraw/zinc/61/07/75/345610775.db2.gz KBLDAJWPQDSXQS-WCBMZHEXSA-N 0 0 195.266 1.213 10 0 ADAERN CC[C@@H](C)C(=O)N[C@@H]1C[C@H]1C 306782273 345610857 /nfs/dbraw/zinc/61/08/57/345610857.db2.gz FLLPFSRKLKJSIM-BWZBUEFSSA-N 0 0 155.241 1.557 10 0 ADAERN CC[C@H]1CC[C@@](O)(c2cn(C)nn2)C1 306781997 345610871 /nfs/dbraw/zinc/61/08/71/345610871.db2.gz KBLDAJWPQDSXQS-WPRPVWTQSA-N 0 0 195.266 1.213 10 0 ADAERN Cc1cc(F)c([C@H](C)NN)c(F)c1 306782431 345610898 /nfs/dbraw/zinc/61/08/98/345610898.db2.gz QSUOJOZXTWZSJK-LURJTMIESA-N 0 0 186.205 1.798 10 0 ADAERN Cc1cc(F)c([C@@H](C)NN)c(F)c1 306782432 345611028 /nfs/dbraw/zinc/61/10/28/345611028.db2.gz QSUOJOZXTWZSJK-ZCFIWIBFSA-N 0 0 186.205 1.798 10 0 ADAERN C[C@H]1CCCC[C@@]1(C)NC(N)=S 306782722 345611252 /nfs/dbraw/zinc/61/12/52/345611252.db2.gz FUCKZOUCCVBMKJ-IONNQARKSA-N 0 0 186.324 1.788 10 0 ADAERN C[C@@H]1CCCC[C@]1(C)NC(N)=S 306782720 345611401 /nfs/dbraw/zinc/61/14/01/345611401.db2.gz FUCKZOUCCVBMKJ-APPZFPTMSA-N 0 0 186.324 1.788 10 0 ADAERN C[C@H]1CCCC[C@]1(C)NC(N)=S 306782721 345611410 /nfs/dbraw/zinc/61/14/10/345611410.db2.gz FUCKZOUCCVBMKJ-CBAPKCEASA-N 0 0 186.324 1.788 10 0 ADAERN C[C@@H](N1CCC(=O)CC1)C(C)(F)F 306782997 345611491 /nfs/dbraw/zinc/61/14/91/345611491.db2.gz KTFJXPJTHRJARS-SSDOTTSWSA-N 0 0 191.221 1.695 10 0 ADAERN C[C@@H]1CCCC[C@@]1(C)NC(N)=S 306782723 345611501 /nfs/dbraw/zinc/61/15/01/345611501.db2.gz FUCKZOUCCVBMKJ-VXNVDRBHSA-N 0 0 186.324 1.788 10 0 ADAERN C[C@H](N1CCC(=O)CC1)C(C)(F)F 306782998 345611521 /nfs/dbraw/zinc/61/15/21/345611521.db2.gz KTFJXPJTHRJARS-ZETCQYMHSA-N 0 0 191.221 1.695 10 0 ADAERN NC(=O)Oc1ccc(Cl)cc1N 306783929 345611709 /nfs/dbraw/zinc/61/17/09/345611709.db2.gz HBQFSSYBORUUPG-UHFFFAOYSA-N 0 0 186.598 1.380 10 0 ADAERN C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]2C)C1 306784113 345611753 /nfs/dbraw/zinc/61/17/53/345611753.db2.gz LUHLKRUUMAFXPQ-QCLAVDOMSA-N 0 0 181.279 1.947 10 0 ADAERN CNc1cc(C)cnc1C 306783880 345611774 /nfs/dbraw/zinc/61/17/74/345611774.db2.gz RMMBIYRWRKWMPN-UHFFFAOYSA-N 0 0 136.198 1.740 10 0 ADAERN CCCCN1C(=O)CC(C)(C)C1=O 306783855 345611886 /nfs/dbraw/zinc/61/18/86/345611886.db2.gz GYJPCRLPCHLEHA-UHFFFAOYSA-N 0 0 183.251 1.572 10 0 ADAERN CCc1ccc(N)cc1NC(N)=O 306784384 345611901 /nfs/dbraw/zinc/61/19/01/345611901.db2.gz HUBRWHCGZRYEGI-UHFFFAOYSA-N 0 0 179.223 1.322 10 0 ADAERN CC(C)(C)C(C)(C)CNN 306784235 345611938 /nfs/dbraw/zinc/61/19/38/345611938.db2.gz HLDSKJHSBAJJJK-UHFFFAOYSA-N 0 0 144.262 1.522 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]2C)C1 306784114 345611956 /nfs/dbraw/zinc/61/19/56/345611956.db2.gz LUHLKRUUMAFXPQ-SGIHWFKDSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1nnc(NCC2(C)CC2)n1C 306784402 345611969 /nfs/dbraw/zinc/61/19/69/345611969.db2.gz HZBQSZAINNPCFQ-UHFFFAOYSA-N 0 0 180.255 1.336 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]2C)C1 306784115 345611973 /nfs/dbraw/zinc/61/19/73/345611973.db2.gz LUHLKRUUMAFXPQ-ZYUZMQFOSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@H]1CN(Cc2ccon2)CCS1 306783876 345612038 /nfs/dbraw/zinc/61/20/38/345612038.db2.gz GZCHZULJTSYVCJ-QMMMGPOBSA-N 0 0 198.291 1.612 10 0 ADAERN O=C(N1CCCCC1)N1CCCOC1 306784097 345612134 /nfs/dbraw/zinc/61/21/34/345612134.db2.gz LRUVLNSPRZEMOB-UHFFFAOYSA-N 0 0 198.266 1.272 10 0 ADAERN CC1(C)CC(O)(C(F)F)C1 306784922 345612509 /nfs/dbraw/zinc/61/25/09/345612509.db2.gz MUNZOTIBKISZHD-UHFFFAOYSA-N 0 0 150.168 1.803 10 0 ADAERN CC(=O)N[C@H]1CCC[C@H]2C[C@H]21 306785724 345613105 /nfs/dbraw/zinc/61/31/05/345613105.db2.gz OEXDWDXHCUOIDQ-YIZRAAEISA-N 0 0 153.225 1.311 10 0 ADAERN O[C@@H]1C=C(c2cscn2)CC1 306785533 345613109 /nfs/dbraw/zinc/61/31/09/345613109.db2.gz NRYUJUGPQRYSRH-ZETCQYMHSA-N 0 0 167.233 1.681 10 0 ADAERN Cc1cnn(CC(=O)c2ccc[nH]2)c1 306785350 345613272 /nfs/dbraw/zinc/61/32/72/345613272.db2.gz NMBLQLPEWYZSQC-UHFFFAOYSA-N 0 0 189.218 1.403 10 0 ADAERN CC(C)(C)C(C)(C)C(=O)NC1COC1 306785341 345613274 /nfs/dbraw/zinc/61/32/74/345613274.db2.gz NKRNDHABUWEPBB-UHFFFAOYSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)OC(=O)[C@@H]1CCC[C@H]1O 306786407 345613403 /nfs/dbraw/zinc/61/34/03/345613403.db2.gz KURGZIXBWPXENK-HTQZYQBOSA-N 0 0 172.224 1.099 10 0 ADAERN CO[C@@H](C)c1ncn(C(C)C)c1N 306786056 345613487 /nfs/dbraw/zinc/61/34/87/345613487.db2.gz OTBZNNJHUCWOOH-ZETCQYMHSA-N 0 0 183.255 1.754 10 0 ADAERN CC(C)OC(=O)[C@H]1CCC[C@H]1O 306786409 345613501 /nfs/dbraw/zinc/61/35/01/345613501.db2.gz KURGZIXBWPXENK-JGVFFNPUSA-N 0 0 172.224 1.099 10 0 ADAERN C[C@@H]1CC[C@@]12CC(=O)NC2(C)C 306786323 345613510 /nfs/dbraw/zinc/61/35/10/345613510.db2.gz KQKXVHQUBMLYTK-GMSGAONNSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1CC[C@]12CC(=O)NC2(C)C 306786329 345613514 /nfs/dbraw/zinc/61/35/14/345613514.db2.gz KQKXVHQUBMLYTK-XVKPBYJWSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1ncccc1NC1CSC1 306786228 345613530 /nfs/dbraw/zinc/61/35/30/345613530.db2.gz UWAINNOVCMLRLZ-UHFFFAOYSA-N 0 0 180.276 1.917 10 0 ADAERN CO[C@H](C)Cn1ncc(Cl)c1N 306786644 345613573 /nfs/dbraw/zinc/61/35/73/345613573.db2.gz PJBWZHUYQNEEPB-RXMQYKEDSA-N 0 0 189.646 1.154 10 0 ADAERN C[C@@H]1CC[C@]12CC(=O)NC2(C)C 306786327 345613578 /nfs/dbraw/zinc/61/35/78/345613578.db2.gz KQKXVHQUBMLYTK-XCBNKYQSSA-N 0 0 167.252 1.701 10 0 ADAERN CO[C@@H](C)Cn1ncc(Cl)c1N 306786645 345613652 /nfs/dbraw/zinc/61/36/52/345613652.db2.gz PJBWZHUYQNEEPB-YFKPBYRVSA-N 0 0 189.646 1.154 10 0 ADAERN CC(C)OC(=O)[C@H]1CCC[C@@H]1O 306786411 345613663 /nfs/dbraw/zinc/61/36/63/345613663.db2.gz KURGZIXBWPXENK-YUMQZZPRSA-N 0 0 172.224 1.099 10 0 ADAERN CC1CN(c2nc(C3CC3)ns2)C1 306786834 345613688 /nfs/dbraw/zinc/61/36/88/345613688.db2.gz LMRAJSJAYSJUMO-UHFFFAOYSA-N 0 0 195.291 1.872 10 0 ADAERN CO[C@H](C)c1ncn(C(C)C)c1N 306786055 345613747 /nfs/dbraw/zinc/61/37/47/345613747.db2.gz OTBZNNJHUCWOOH-SSDOTTSWSA-N 0 0 183.255 1.754 10 0 ADAERN C[C@H]1CC[C@@]12CC(=O)NC2(C)C 306786325 345613782 /nfs/dbraw/zinc/61/37/82/345613782.db2.gz KQKXVHQUBMLYTK-OIBJUYFYSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1nc([C@H](N)c2ccco2)co1 306787249 345614136 /nfs/dbraw/zinc/61/41/36/345614136.db2.gz MJEVVXZGWLLDGK-VIFPVBQESA-N 0 0 178.191 1.624 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@H]1c1ccco1 306787317 345614164 /nfs/dbraw/zinc/61/41/64/345614164.db2.gz VTNWIMINGCYYJE-ZKWXMUAHSA-N 0 0 179.219 1.518 10 0 ADAERN COC(=O)N[C@@H]1CC12CCCC2 306787239 345614200 /nfs/dbraw/zinc/61/42/00/345614200.db2.gz MFADCOZKBXNGDD-SSDOTTSWSA-N 0 0 169.224 1.675 10 0 ADAERN COC(=O)N[C@H]1CC12CCCC2 306787240 345614220 /nfs/dbraw/zinc/61/42/20/345614220.db2.gz MFADCOZKBXNGDD-ZETCQYMHSA-N 0 0 169.224 1.675 10 0 ADAERN CNC(=O)Nc1ccnc(C)c1C 306787259 345614224 /nfs/dbraw/zinc/61/42/24/345614224.db2.gz MNQNSVYOCVQVPQ-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1c1ccco1 306787316 345614289 /nfs/dbraw/zinc/61/42/89/345614289.db2.gz VTNWIMINGCYYJE-FJXKBIBVSA-N 0 0 179.219 1.518 10 0 ADAERN Cc1cnn(C)c1CNc1c[nH]cn1 306787181 345614292 /nfs/dbraw/zinc/61/42/92/345614292.db2.gz QFFIDGPHNRJHAN-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1c1ccco1 306787314 345614299 /nfs/dbraw/zinc/61/42/99/345614299.db2.gz VTNWIMINGCYYJE-BKPPORCPSA-N 0 0 179.219 1.518 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@H]1c1ccco1 306787313 345614304 /nfs/dbraw/zinc/61/43/04/345614304.db2.gz VTNWIMINGCYYJE-ACLDMZEESA-N 0 0 179.219 1.518 10 0 ADAERN CC1=CCC[N@@H+](/C=C/C(=O)[O-])C1 306787190 345614359 /nfs/dbraw/zinc/61/43/59/345614359.db2.gz QFVWKWVKYZXXAZ-GQCTYLIASA-N 0 0 167.208 1.237 10 0 ADAERN Cc1nc([C@@H](N)c2ccco2)co1 306787248 345614436 /nfs/dbraw/zinc/61/44/36/345614436.db2.gz MJEVVXZGWLLDGK-SECBINFHSA-N 0 0 178.191 1.624 10 0 ADAERN CC1(C)CC(NO)C1 306788619 345614857 /nfs/dbraw/zinc/61/48/57/345614857.db2.gz RYFKEASKDALQDV-UHFFFAOYSA-N 0 0 115.176 1.154 10 0 ADAERN Cc1cc(N)nnc1[C@@H]1CC1(C)C 306788150 345614985 /nfs/dbraw/zinc/61/49/85/345614985.db2.gz WULDBIQVHPRMPD-ZETCQYMHSA-N 0 0 177.251 1.881 10 0 ADAERN CCOC1CN(c2ccnc(F)c2)C1 306789627 345615736 /nfs/dbraw/zinc/61/57/36/345615736.db2.gz TZSRHKDKZZIDMX-UHFFFAOYSA-N 0 0 196.225 1.446 10 0 ADAERN O=C(NC1CC1)C1=C(Cl)CCC1 306789118 345615813 /nfs/dbraw/zinc/61/58/13/345615813.db2.gz PJRGYUYDUUOCHG-UHFFFAOYSA-N 0 0 185.654 1.942 10 0 ADAERN O[C@H](C1=COCC1)c1ccccn1 306789007 345615936 /nfs/dbraw/zinc/61/59/36/345615936.db2.gz SRGCLPUMMDDKLJ-SNVBAGLBSA-N 0 0 177.203 1.419 10 0 ADAERN CC(C)(CF)Nc1cccnn1 306789725 345616095 /nfs/dbraw/zinc/61/60/95/345616095.db2.gz QCWIHABFONKFCV-UHFFFAOYSA-N 0 0 169.203 1.637 10 0 ADAERN CCOC1CN(c2ccccc2N)C1 306790511 345616107 /nfs/dbraw/zinc/61/61/07/345616107.db2.gz VWYMXSZEOWIHGU-UHFFFAOYSA-N 0 0 192.262 1.494 10 0 ADAERN CC1(C)CC2(CC(=O)N2)C1 306790565 345616122 /nfs/dbraw/zinc/61/61/22/345616122.db2.gz WBQXNDZCWSVVIF-UHFFFAOYSA-N 0 0 139.198 1.065 10 0 ADAERN Cc1noc(NC2CC(C)(C)C2)n1 306790351 345616198 /nfs/dbraw/zinc/61/61/98/345616198.db2.gz VPFFUXQQBQSVPB-UHFFFAOYSA-N 0 0 181.239 1.979 10 0 ADAERN CC1(C)CC(Nc2ncc(N)cn2)C1 306790512 345616199 /nfs/dbraw/zinc/61/61/99/345616199.db2.gz VXMSTRIAWQJMOP-UHFFFAOYSA-N 0 0 192.266 1.659 10 0 ADAERN CSCSCCSCCO 306790008 345616218 /nfs/dbraw/zinc/61/62/18/345616218.db2.gz UTNIXXXIDQBMLE-UHFFFAOYSA-N 0 0 198.378 1.766 10 0 ADAERN Cc1cc(N2CCC(=O)C2)ccn1 306790994 345616765 /nfs/dbraw/zinc/61/67/65/345616765.db2.gz ZLRRDXBAMOEQNK-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN C[C@@H]1CSC[C@]12CNC(=O)[C@@H]2C 306791158 345616774 /nfs/dbraw/zinc/61/67/74/345616774.db2.gz ZZTADQYRBFIFHJ-BKPPORCPSA-N 0 0 185.292 1.122 10 0 ADAERN C[C@@H]1CSC[C@@]12CNC(=O)[C@@H]2C 306791159 345616903 /nfs/dbraw/zinc/61/69/03/345616903.db2.gz ZZTADQYRBFIFHJ-FJXKBIBVSA-N 0 0 185.292 1.122 10 0 ADAERN C[C@@H]1CSC[C@]12CNC(=O)[C@H]2C 306791160 345616904 /nfs/dbraw/zinc/61/69/04/345616904.db2.gz ZZTADQYRBFIFHJ-ZXFLCMHBSA-N 0 0 185.292 1.122 10 0 ADAERN C[C@@H]1CSC[C@@]12CNC(=O)[C@H]2C 306791157 345616911 /nfs/dbraw/zinc/61/69/11/345616911.db2.gz ZZTADQYRBFIFHJ-BHNWBGBOSA-N 0 0 185.292 1.122 10 0 ADAERN NC(=O)c1ncoc1-c1cccs1 306791206 345616965 /nfs/dbraw/zinc/61/69/65/345616965.db2.gz WTFSYTUZSFZRRZ-UHFFFAOYSA-N 0 0 194.215 1.502 10 0 ADAERN CC1(C)CC([N@@H+]2CCC[C@H]2C(=O)[O-])C1 306791188 345616973 /nfs/dbraw/zinc/61/69/73/345616973.db2.gz WPBKANKDHUTUNF-VIFPVBQESA-N 0 0 197.278 1.724 10 0 ADAERN OCc1cnnn1C1CCCCCC1 306791583 345617261 /nfs/dbraw/zinc/61/72/61/345617261.db2.gz YFWIBWLETKRFQD-UHFFFAOYSA-N 0 0 195.266 1.666 10 0 ADAERN CC1(C)CC([NH+]2CC(CC(=O)[O-])C2)C1 306791384 345617310 /nfs/dbraw/zinc/61/73/10/345617310.db2.gz XNHXFCFYZHGWDY-UHFFFAOYSA-N 0 0 197.278 1.582 10 0 ADAERN CO[C@H](C)c1nc(C)sc1N 306791539 345617315 /nfs/dbraw/zinc/61/73/15/345617315.db2.gz YBJYAAQRPLVISG-SCSAIBSYSA-N 0 0 172.253 1.741 10 0 ADAERN Cn1ccc(CC2(O)CC(C)(C)C2)n1 306791480 345617374 /nfs/dbraw/zinc/61/73/74/345617374.db2.gz XSUCGSKTRDXCNE-UHFFFAOYSA-N 0 0 194.278 1.514 10 0 ADAERN CN(c1ncc[nH]1)C1CCOCC1 306791254 345617502 /nfs/dbraw/zinc/61/75/02/345617502.db2.gz WZSSWABSYODGSY-UHFFFAOYSA-N 0 0 181.239 1.025 10 0 ADAERN CO[C@@H](C)c1nc(C)sc1N 306791538 345617520 /nfs/dbraw/zinc/61/75/20/345617520.db2.gz YBJYAAQRPLVISG-BYPYZUCNSA-N 0 0 172.253 1.741 10 0 ADAERN CC1([C@H]2CC(=O)N2)CCCC1 306791632 345617968 /nfs/dbraw/zinc/61/79/68/345617968.db2.gz YKMDCUKYPXJFCH-SSDOTTSWSA-N 0 0 153.225 1.455 10 0 ADAERN CC1([C@@H]2CC(=O)N2)CCCC1 306791633 345617995 /nfs/dbraw/zinc/61/79/95/345617995.db2.gz YKMDCUKYPXJFCH-ZETCQYMHSA-N 0 0 153.225 1.455 10 0 ADAERN O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCSC1 306791802 345618003 /nfs/dbraw/zinc/61/80/03/345618003.db2.gz ZCEDQPAXALVYEJ-BRPSZJMVSA-N 0 0 197.303 1.565 10 0 ADAERN CC[C@@H](Nc1cccnc1N)[C@H](C)O 306792146 345618403 /nfs/dbraw/zinc/61/84/03/345618403.db2.gz AXIQEPDBTUWNCR-JGVFFNPUSA-N 0 0 195.266 1.235 10 0 ADAERN CC1(C)CCc2cnc(=O)[nH]c21 306792474 345618440 /nfs/dbraw/zinc/61/84/40/345618440.db2.gz GKKSHCIMCBSYCT-UHFFFAOYSA-N 0 0 164.208 1.406 10 0 ADAERN CC[C@H]1CO[C@H](C)C[N@@H+]1C 306792661 345618456 /nfs/dbraw/zinc/61/84/56/345618456.db2.gz BCECPPZTDSOTCO-SFYZADRCSA-N 0 0 143.230 1.116 10 0 ADAERN CC[C@H](Nc1cccnc1N)[C@@H](C)O 306792160 345618479 /nfs/dbraw/zinc/61/84/79/345618479.db2.gz AXIQEPDBTUWNCR-SFYZADRCSA-N 0 0 195.266 1.235 10 0 ADAERN CC[C@@H](Nc1cccnc1N)[C@@H](C)O 306792135 345618491 /nfs/dbraw/zinc/61/84/91/345618491.db2.gz AXIQEPDBTUWNCR-HTQZYQBOSA-N 0 0 195.266 1.235 10 0 ADAERN CC[C@H]1CO[C@@H](C)C[N@@H+]1C 306792664 345618506 /nfs/dbraw/zinc/61/85/06/345618506.db2.gz BCECPPZTDSOTCO-YUMQZZPRSA-N 0 0 143.230 1.116 10 0 ADAERN CC[C@@H]1CO[C@@H](C)C[N@@H+]1C 306792656 345618565 /nfs/dbraw/zinc/61/85/65/345618565.db2.gz BCECPPZTDSOTCO-JGVFFNPUSA-N 0 0 143.230 1.116 10 0 ADAERN CC[S@](=O)N[C@@H]1CC[C@H](C)C1 306792291 345618572 /nfs/dbraw/zinc/61/85/72/345618572.db2.gz DPHQOMJIQVFTDN-RNSXUZJQSA-N 0 0 175.297 1.448 10 0 ADAERN CC[S@](=O)N[C@H]1CC[C@H](C)C1 306792286 345618603 /nfs/dbraw/zinc/61/86/03/345618603.db2.gz DPHQOMJIQVFTDN-LAEOZQHASA-N 0 0 175.297 1.448 10 0 ADAERN CC[S@](=O)N[C@H]1CC[C@@H](C)C1 306792279 345618677 /nfs/dbraw/zinc/61/86/77/345618677.db2.gz DPHQOMJIQVFTDN-FYBVGQRMSA-N 0 0 175.297 1.448 10 0 ADAERN CC[C@H](Nc1cccnc1N)[C@H](C)O 306792171 345618718 /nfs/dbraw/zinc/61/87/18/345618718.db2.gz AXIQEPDBTUWNCR-YUMQZZPRSA-N 0 0 195.266 1.235 10 0 ADAERN CC[S@](=O)N[C@@H]1CC[C@@H](C)C1 306792299 345618724 /nfs/dbraw/zinc/61/87/24/345618724.db2.gz DPHQOMJIQVFTDN-XLDPMVHQSA-N 0 0 175.297 1.448 10 0 ADAERN CN(C)C(=O)N(C)C1(C)CCCC1 306792114 345618774 /nfs/dbraw/zinc/61/87/74/345618774.db2.gz GGTKCMOACSURJH-UHFFFAOYSA-N 0 0 184.283 1.933 10 0 ADAERN Cc1scc(CNC#N)c1C 306792467 345618819 /nfs/dbraw/zinc/61/88/19/345618819.db2.gz GKCRCQHFSTZLDI-UHFFFAOYSA-N 0 0 166.249 1.936 10 0 ADAERN CC(C)C[C@@H]1C[C@H]1N1C(=O)CN[C@@H]1C 306794056 345619124 /nfs/dbraw/zinc/61/91/24/345619124.db2.gz FPCQXUOQQSNALD-IVZWLZJFSA-N 0 0 196.294 1.199 10 0 ADAERN CN(c1ccc(O)cc1)[S@@](C)=O 306793500 345619097 /nfs/dbraw/zinc/61/90/97/345619097.db2.gz FBWYLVUYMLVKRN-GFCCVEGCSA-N 0 0 185.248 1.122 10 0 ADAERN Cc1cocc1C(=O)c1ccn(C)n1 306793811 345619100 /nfs/dbraw/zinc/61/91/00/345619100.db2.gz FKRJCHYBPHKRNV-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1C1CCOCC1 306792965 345619105 /nfs/dbraw/zinc/61/91/05/345619105.db2.gz DYQOUDUDSFLHKH-ZJUUUORDSA-N 0 0 197.278 1.184 10 0 ADAERN CN(c1ccc(O)cc1)[S@](C)=O 306793501 345619146 /nfs/dbraw/zinc/61/91/46/345619146.db2.gz FBWYLVUYMLVKRN-LBPRGKRZSA-N 0 0 185.248 1.122 10 0 ADAERN Cc1cocc1C(=O)c1csnn1 306793616 345619179 /nfs/dbraw/zinc/61/91/79/345619179.db2.gz FDBJIXOPYOCVKC-UHFFFAOYSA-N 0 0 194.215 1.671 10 0 ADAERN CC(C)C[C@@H]1C[C@H]1N1C(=O)CN[C@H]1C 306794064 345619253 /nfs/dbraw/zinc/61/92/53/345619253.db2.gz FPCQXUOQQSNALD-OPRDCNLKSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1C1CCOCC1 306792962 345619281 /nfs/dbraw/zinc/61/92/81/345619281.db2.gz DYQOUDUDSFLHKH-VHSXEESVSA-N 0 0 197.278 1.184 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1N1C(=O)CN[C@H]1C 306794048 345619361 /nfs/dbraw/zinc/61/93/61/345619361.db2.gz FPCQXUOQQSNALD-BBBLOLIVSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1C1CCOCC1 306792956 345619368 /nfs/dbraw/zinc/61/93/68/345619368.db2.gz DYQOUDUDSFLHKH-NXEZZACHSA-N 0 0 197.278 1.184 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1N1C(=O)CN[C@@H]1C 306794040 345619444 /nfs/dbraw/zinc/61/94/44/345619444.db2.gz FPCQXUOQQSNALD-AEJSXWLSSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1C1CCOCC1 306792959 345619459 /nfs/dbraw/zinc/61/94/59/345619459.db2.gz DYQOUDUDSFLHKH-UWVGGRQHSA-N 0 0 197.278 1.184 10 0 ADAERN CSCCN1Cc2cccnc2C1 306794097 345619641 /nfs/dbraw/zinc/61/96/41/345619641.db2.gz HMVDGSDJYDEVCD-UHFFFAOYSA-N 0 0 194.303 1.760 10 0 ADAERN Cn1nc(C(C)(C)F)[nH]c1=S 306794106 345619713 /nfs/dbraw/zinc/61/97/13/345619713.db2.gz HNDUNIWKGNUAPH-UHFFFAOYSA-N 0 0 175.232 1.308 10 0 ADAERN Cn1ccc(C[C@](C)(O)C2CCC2)n1 306795088 345619763 /nfs/dbraw/zinc/61/97/63/345619763.db2.gz GHKCTUWAGODTFD-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN O=C1CSC([C@@H]2CCCS2)=N1 306795180 345619770 /nfs/dbraw/zinc/61/97/70/345619770.db2.gz UQCDGNDSTSDXOT-YFKPBYRVSA-N 0 0 187.289 1.554 10 0 ADAERN CC(C)N1CC(=O)NC12CCCC2 306794845 345619808 /nfs/dbraw/zinc/61/98/08/345619808.db2.gz UFFXMVSKOYSKCU-UHFFFAOYSA-N 0 0 182.267 1.097 10 0 ADAERN C[C@@H](c1ccccn1)N1CC(F)C1 306794265 345619821 /nfs/dbraw/zinc/61/98/21/345619821.db2.gz SKYVZZQQPHUTOW-QMMMGPOBSA-N 0 0 180.226 1.796 10 0 ADAERN CC(C)N1CC(Nc2nncs2)C1 306794754 345619860 /nfs/dbraw/zinc/61/98/60/345619860.db2.gz TXTUJCQLWHMHLM-UHFFFAOYSA-N 0 0 198.295 1.043 10 0 ADAERN CCNc1ncnc2cc(C)[nH]c12 306794825 345619865 /nfs/dbraw/zinc/61/98/65/345619865.db2.gz UCGOZRXALJLWRT-UHFFFAOYSA-N 0 0 176.223 1.698 10 0 ADAERN O=C1CSC([C@H]2CCCS2)=N1 306795179 345619891 /nfs/dbraw/zinc/61/98/91/345619891.db2.gz UQCDGNDSTSDXOT-RXMQYKEDSA-N 0 0 187.289 1.554 10 0 ADAERN C[C@H](c1ccccn1)N1CC(F)C1 306794264 345619963 /nfs/dbraw/zinc/61/99/63/345619963.db2.gz SKYVZZQQPHUTOW-MRVPVSSYSA-N 0 0 180.226 1.796 10 0 ADAERN FCCNC1N=NC(=S)S1 306794833 345619971 /nfs/dbraw/zinc/61/99/71/345619971.db2.gz UDLXDJOUUVWDNE-UHFFFAOYSA-N 0 0 179.245 1.208 10 0 ADAERN Cc1nc(-c2cnc(N)nc2)cs1 306794695 345619983 /nfs/dbraw/zinc/61/99/83/345619983.db2.gz IBVNUUZMDHVKKM-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cncc(F)c1-c1cn[nH]c1 306796214 345620172 /nfs/dbraw/zinc/62/01/72/345620172.db2.gz JJZMXNGZUYTLJR-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN Nc1cc(F)cnc1NC1CCC1 306795694 345620246 /nfs/dbraw/zinc/62/02/46/345620246.db2.gz ITFWNOCFMVSHDK-UHFFFAOYSA-N 0 0 181.214 1.767 10 0 ADAERN C[C@H]1CC[C@H]1NCc1csnn1 306795902 345620252 /nfs/dbraw/zinc/62/02/52/345620252.db2.gz VKTDLTWIDAQHJE-POYBYMJQSA-N 0 0 183.280 1.426 10 0 ADAERN CC(C)c1cc(N[S@](C)=O)n[nH]1 306796252 345620282 /nfs/dbraw/zinc/62/02/82/345620282.db2.gz HHFVLXXNJLXRPU-LBPRGKRZSA-N 0 0 187.268 1.239 10 0 ADAERN C[C@H](N[S@](C)=O)c1cccc(O)c1 306795536 345620347 /nfs/dbraw/zinc/62/03/47/345620347.db2.gz GPGRFGMJDILJBS-CPFSXVBKSA-N 0 0 199.275 1.336 10 0 ADAERN CC(C)(CNC#N)C1CCC1 306795864 345620355 /nfs/dbraw/zinc/62/03/55/345620355.db2.gz GZOVKVJRPJQHOU-UHFFFAOYSA-N 0 0 152.241 1.883 10 0 ADAERN Cc1cn(C(C)C)nc1NC(N)=O 306795702 345620359 /nfs/dbraw/zinc/62/03/59/345620359.db2.gz IUMNQNOPHMHVPI-UHFFFAOYSA-N 0 0 182.227 1.263 10 0 ADAERN C[C@@H](N[S@](C)=O)c1cccc(O)c1 306795540 345620382 /nfs/dbraw/zinc/62/03/82/345620382.db2.gz GPGRFGMJDILJBS-UHLUBPPHSA-N 0 0 199.275 1.336 10 0 ADAERN C[C@H](N[S@@](C)=O)c1cccc(O)c1 306795542 345620398 /nfs/dbraw/zinc/62/03/98/345620398.db2.gz GPGRFGMJDILJBS-WPPNPWJKSA-N 0 0 199.275 1.336 10 0 ADAERN CC(C)c1cc(N[S@@](C)=O)n[nH]1 306796251 345620432 /nfs/dbraw/zinc/62/04/32/345620432.db2.gz HHFVLXXNJLXRPU-GFCCVEGCSA-N 0 0 187.268 1.239 10 0 ADAERN Cc1cocc1C(=O)c1c[nH]nc1N 306795414 345620469 /nfs/dbraw/zinc/62/04/69/345620469.db2.gz GLVSHYUTWSWSHN-UHFFFAOYSA-N 0 0 191.190 1.124 10 0 ADAERN C[C@@H](N[S@@](C)=O)c1cccc(O)c1 306795538 345620473 /nfs/dbraw/zinc/62/04/73/345620473.db2.gz GPGRFGMJDILJBS-FUXBKTLASA-N 0 0 199.275 1.336 10 0 ADAERN C[C@H]1CC[C@@H]1NCc1csnn1 306795904 345620541 /nfs/dbraw/zinc/62/05/41/345620541.db2.gz VKTDLTWIDAQHJE-XPUUQOCRSA-N 0 0 183.280 1.426 10 0 ADAERN O=C1CCCN(CC2=CCCC2)C1 306795863 345620561 /nfs/dbraw/zinc/62/05/61/345620561.db2.gz JBCLRUKMJYTEFW-UHFFFAOYSA-N 0 0 179.263 1.762 10 0 ADAERN C[C@@H](O)CNc1cc(F)ccn1 306796405 345620650 /nfs/dbraw/zinc/62/06/50/345620650.db2.gz WHEKYULPJIMZOC-ZCFIWIBFSA-N 0 0 170.187 1.013 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@H]1CCCO1 306796686 345620671 /nfs/dbraw/zinc/62/06/71/345620671.db2.gz XBQQSVYQORLQBF-HRDYMLBCSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)[C@H]1CCCO1 306796687 345620686 /nfs/dbraw/zinc/62/06/86/345620686.db2.gz XBQQSVYQORLQBF-IWSPIJDZSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)[C@H]1CCCO1 306796685 345620729 /nfs/dbraw/zinc/62/07/29/345620729.db2.gz XBQQSVYQORLQBF-DJLDLDEBSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1ncc(C(=O)C2CCC2)n1C 306796372 345620829 /nfs/dbraw/zinc/62/08/29/345620829.db2.gz WAYUKBLKHFREHJ-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN CCN(c1ccccc1N)[S@@](C)=O 306796509 345620994 /nfs/dbraw/zinc/62/09/94/345620994.db2.gz HQWQCDWPNIAJJT-CYBMUJFWSA-N 0 0 198.291 1.389 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)[C@H]1CCCO1 306796688 345621000 /nfs/dbraw/zinc/62/10/00/345621000.db2.gz XBQQSVYQORLQBF-XHNCKOQMSA-N 0 0 183.251 1.080 10 0 ADAERN CCN(c1ccccc1N)[S@](C)=O 306796510 345621033 /nfs/dbraw/zinc/62/10/33/345621033.db2.gz HQWQCDWPNIAJJT-ZDUSSCGKSA-N 0 0 198.291 1.389 10 0 ADAERN C[C@H](O)CNc1cc(F)ccn1 306796404 345621168 /nfs/dbraw/zinc/62/11/68/345621168.db2.gz WHEKYULPJIMZOC-LURJTMIESA-N 0 0 170.187 1.013 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCSC1 306797619 345621447 /nfs/dbraw/zinc/62/14/47/345621447.db2.gz KYKXWZFTNIKSAW-FXQIFTODSA-N 0 0 185.292 1.264 10 0 ADAERN CC[C@@H](NC=O)C1CCC1 306797684 345621481 /nfs/dbraw/zinc/62/14/81/345621481.db2.gz YVYXSALQECUTKO-MRVPVSSYSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCSC1 306797620 345621529 /nfs/dbraw/zinc/62/15/29/345621529.db2.gz KYKXWZFTNIKSAW-RNJXMRFFSA-N 0 0 185.292 1.264 10 0 ADAERN CON[C@@H]1CCC1(C)C 306797094 345621636 /nfs/dbraw/zinc/62/16/36/345621636.db2.gz KBMPVFGJPOTLMO-ZCFIWIBFSA-N 0 0 129.203 1.326 10 0 ADAERN CON[C@H]1CCC1(C)C 306797093 345621644 /nfs/dbraw/zinc/62/16/44/345621644.db2.gz KBMPVFGJPOTLMO-LURJTMIESA-N 0 0 129.203 1.326 10 0 ADAERN CC[C@H](NC=O)C1CCC1 306797685 345621742 /nfs/dbraw/zinc/62/17/42/345621742.db2.gz YVYXSALQECUTKO-QMMMGPOBSA-N 0 0 141.214 1.311 10 0 ADAERN O=C1CCN(C/C(Cl)=C\Cl)C1 306798860 345622122 /nfs/dbraw/zinc/62/21/22/345622122.db2.gz MITCEBCHIJAJDH-ZZXKWVIFSA-N 0 0 194.061 1.580 10 0 ADAERN C[C@H](NC(N)=S)[C@H]1CC1(C)C 306798406 345622155 /nfs/dbraw/zinc/62/21/55/345622155.db2.gz CHILGPJVYOMSNZ-NTSWFWBYSA-N 0 0 172.297 1.254 10 0 ADAERN C[C@@H]1CN(c2ncc[nH]2)CCCO1 306798881 345622180 /nfs/dbraw/zinc/62/21/80/345622180.db2.gz MLFUFXLKXIYMCR-MRVPVSSYSA-N 0 0 181.239 1.025 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)CCCO1 306798882 345622190 /nfs/dbraw/zinc/62/21/90/345622190.db2.gz MLFUFXLKXIYMCR-QMMMGPOBSA-N 0 0 181.239 1.025 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N1CC[C@H]1C 306798894 345622197 /nfs/dbraw/zinc/62/21/97/345622197.db2.gz MMBLROKRYJRFLM-BWZBUEFSSA-N 0 0 168.240 1.199 10 0 ADAERN C[C@@H]1CS[C@H](c2cn(C)cn2)N1 306798745 345622206 /nfs/dbraw/zinc/62/22/06/345622206.db2.gz DBMMUHHJHSVZRX-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CS[C@@H](c2cn(C)cn2)N1 306798747 345622225 /nfs/dbraw/zinc/62/22/25/345622225.db2.gz DBMMUHHJHSVZRX-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@H]1CS[C@@H](c2cn(C)cn2)N1 306798748 345622265 /nfs/dbraw/zinc/62/22/65/345622265.db2.gz DBMMUHHJHSVZRX-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@H]1CS[C@H](c2cn(C)cn2)N1 306798746 345622300 /nfs/dbraw/zinc/62/23/00/345622300.db2.gz DBMMUHHJHSVZRX-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H](NC(N)=S)[C@@H]1CC1(C)C 306798408 345622341 /nfs/dbraw/zinc/62/23/41/345622341.db2.gz CHILGPJVYOMSNZ-RITPCOANSA-N 0 0 172.297 1.254 10 0 ADAERN C[C@H](NC(N)=S)[C@@H]1CC1(C)C 306798409 345622352 /nfs/dbraw/zinc/62/23/52/345622352.db2.gz CHILGPJVYOMSNZ-WDSKDSINSA-N 0 0 172.297 1.254 10 0 ADAERN C[C@H]1CCN1C(=O)N[C@@H]1C[C@H]1C 306798895 345622383 /nfs/dbraw/zinc/62/23/83/345622383.db2.gz MMBLROKRYJRFLM-GJMOJQLCSA-N 0 0 168.240 1.199 10 0 ADAERN C[C@H]1CCC[C@@H]1c1noc(CN)n1 306800724 345623071 /nfs/dbraw/zinc/62/30/71/345623071.db2.gz PCPDWGNFXHSCSM-BQBZGAKWSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@H](N)c1nnc([C@]2(C)C[C@H]2F)o1 306800530 345623090 /nfs/dbraw/zinc/62/30/90/345623090.db2.gz OTGOGFBQYOPZEW-CPDSJTNBSA-N 0 0 185.202 1.089 10 0 ADAERN Cc1nc(C2(F)CNC2)cs1 306800742 345623155 /nfs/dbraw/zinc/62/31/55/345623155.db2.gz PDGAJJRZVMTZOM-UHFFFAOYSA-N 0 0 172.228 1.220 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1Cc1cnsn1 306800799 345623165 /nfs/dbraw/zinc/62/31/65/345623165.db2.gz PKOMQGKXAUNZOC-RNFRBKRXSA-N 0 0 196.275 1.696 10 0 ADAERN C[C@H](N)c1nnc([C@@]2(C)C[C@H]2F)o1 306800531 345623186 /nfs/dbraw/zinc/62/31/86/345623186.db2.gz OTGOGFBQYOPZEW-UUEMRFSQSA-N 0 0 185.202 1.089 10 0 ADAERN C[C@H]1CCC[C@H]1c1noc(CN)n1 306800725 345623213 /nfs/dbraw/zinc/62/32/13/345623213.db2.gz PCPDWGNFXHSCSM-NKWVEPMBSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1Cc1cnsn1 306800800 345623280 /nfs/dbraw/zinc/62/32/80/345623280.db2.gz PKOMQGKXAUNZOC-RQJHMYQMSA-N 0 0 196.275 1.696 10 0 ADAERN C/C=C/CNc1ncc(C)cn1 306801059 345623387 /nfs/dbraw/zinc/62/33/87/345623387.db2.gz QGHRZTOUINRLMV-ONEGZZNKSA-N 0 0 163.224 1.773 10 0 ADAERN C[C@H](N)c1nnc([C@@]2(C)C[C@@H]2F)o1 306800532 345623391 /nfs/dbraw/zinc/62/33/91/345623391.db2.gz OTGOGFBQYOPZEW-YQJDLUKNSA-N 0 0 185.202 1.089 10 0 ADAERN CCNc1cnc(C)nc1 306800710 345623430 /nfs/dbraw/zinc/62/34/30/345623430.db2.gz PAJPBNWSOYBXIP-UHFFFAOYSA-N 0 0 137.186 1.217 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1noc(CN)n1 306800727 345623473 /nfs/dbraw/zinc/62/34/73/345623473.db2.gz PCPDWGNFXHSCSM-RQJHMYQMSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1Cc1cnsn1 306800797 345623507 /nfs/dbraw/zinc/62/35/07/345623507.db2.gz PKOMQGKXAUNZOC-BQBZGAKWSA-N 0 0 196.275 1.696 10 0 ADAERN C[C@H](N)c1nnc([C@]2(C)C[C@@H]2F)o1 306800533 345623510 /nfs/dbraw/zinc/62/35/10/345623510.db2.gz OTGOGFBQYOPZEW-ZVQZEWSASA-N 0 0 185.202 1.089 10 0 ADAERN C[C@@H]1CCC[C@H]1c1noc(CN)n1 306800726 345623523 /nfs/dbraw/zinc/62/35/23/345623523.db2.gz PCPDWGNFXHSCSM-RNFRBKRXSA-N 0 0 181.239 1.432 10 0 ADAERN COC(=O)[C@H](C)N1[C@@H](C)C[C@@H]1C 306801771 345623740 /nfs/dbraw/zinc/62/37/40/345623740.db2.gz RUPNZZJNQIZNRN-FXQIFTODSA-N 0 0 171.240 1.031 10 0 ADAERN Cc1ccnc(NC2CN(C)C2)c1 306802093 345623751 /nfs/dbraw/zinc/62/37/51/345623751.db2.gz SUHLLQVGSNJEHT-UHFFFAOYSA-N 0 0 177.251 1.116 10 0 ADAERN CC1(C)C[C@@H]1c1coc(N)n1 306802171 345623812 /nfs/dbraw/zinc/62/38/12/345623812.db2.gz TTZHQGIKPIITQU-RXMQYKEDSA-N 0 0 152.197 1.770 10 0 ADAERN C[C@@H]1CSC[C@H]1n1cc[nH]c1=O 306802110 345623816 /nfs/dbraw/zinc/62/38/16/345623816.db2.gz SVXJIHKBLBFMBJ-RNFRBKRXSA-N 0 0 184.264 1.100 10 0 ADAERN Cn1ncnc1C(=O)[C@@H]1CC1(C)C 306801097 345623829 /nfs/dbraw/zinc/62/38/29/345623829.db2.gz QJHATYYHOIQSFT-LURJTMIESA-N 0 0 179.223 1.044 10 0 ADAERN COC(=O)[C@@H](C)N1[C@@H](C)C[C@H]1C 306801772 345623833 /nfs/dbraw/zinc/62/38/33/345623833.db2.gz RUPNZZJNQIZNRN-GJMOJQLCSA-N 0 0 171.240 1.031 10 0 ADAERN CN(c1ncc(F)cc1N)C1CC1 306801321 345623950 /nfs/dbraw/zinc/62/39/50/345623950.db2.gz QWWXKNGEIACMLU-UHFFFAOYSA-N 0 0 181.214 1.402 10 0 ADAERN C[C@@H]1CSC[C@@H]1n1cc[nH]c1=O 306802111 345624007 /nfs/dbraw/zinc/62/40/07/345624007.db2.gz SVXJIHKBLBFMBJ-RQJHMYQMSA-N 0 0 184.264 1.100 10 0 ADAERN C/C=C/CNc1ncnc(Cl)c1N 306801931 345624023 /nfs/dbraw/zinc/62/40/23/345624023.db2.gz SGGITWTURALKSQ-NSCUHMNNSA-N 0 0 198.657 1.700 10 0 ADAERN C[C@H]1CSC[C@H]1n1cc[nH]c1=O 306802109 345624032 /nfs/dbraw/zinc/62/40/32/345624032.db2.gz SVXJIHKBLBFMBJ-NKWVEPMBSA-N 0 0 184.264 1.100 10 0 ADAERN Cn1ncnc1C(=O)[C@H]1CC1(C)C 306801098 345624057 /nfs/dbraw/zinc/62/40/57/345624057.db2.gz QJHATYYHOIQSFT-ZCFIWIBFSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@H]1CSC[C@@H]1n1cc[nH]c1=O 306802108 345624066 /nfs/dbraw/zinc/62/40/66/345624066.db2.gz SVXJIHKBLBFMBJ-BQBZGAKWSA-N 0 0 184.264 1.100 10 0 ADAERN CC1(C)C[C@H]1c1coc(N)n1 306802172 345624126 /nfs/dbraw/zinc/62/41/26/345624126.db2.gz TTZHQGIKPIITQU-YFKPBYRVSA-N 0 0 152.197 1.770 10 0 ADAERN COC(=O)[C@H](C)N1[C@H](C)C[C@H]1C 306801773 345624161 /nfs/dbraw/zinc/62/41/61/345624161.db2.gz RUPNZZJNQIZNRN-PRJMDXOYSA-N 0 0 171.240 1.031 10 0 ADAERN COC(=O)[C@H](C)N1[C@@H](C)C[C@H]1C 306801774 345624174 /nfs/dbraw/zinc/62/41/74/345624174.db2.gz RUPNZZJNQIZNRN-RNJXMRFFSA-N 0 0 171.240 1.031 10 0 ADAERN C=CC(=O)N[C@H]1CC12CCCC2 306802653 345624293 /nfs/dbraw/zinc/62/42/93/345624293.db2.gz UHOSALVMITUCPW-QMMMGPOBSA-N 0 0 165.236 1.621 10 0 ADAERN O=C1CC[C@H](c2ccns2)C1 306802969 345624330 /nfs/dbraw/zinc/62/43/30/345624330.db2.gz UYMHSAIGWAHTID-LURJTMIESA-N 0 0 167.233 1.980 10 0 ADAERN C=CC(=O)N[C@@H]1CC12CCCC2 306802652 345624337 /nfs/dbraw/zinc/62/43/37/345624337.db2.gz UHOSALVMITUCPW-MRVPVSSYSA-N 0 0 165.236 1.621 10 0 ADAERN C[C@@H]1C(=O)N[C@H](C)C12CCSCC2 306803025 345624385 /nfs/dbraw/zinc/62/43/85/345624385.db2.gz VCWQBHZUMHLWPJ-HTQZYQBOSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@H]1NC(=O)[C@H](C)C12CCSCC2 306803026 345624502 /nfs/dbraw/zinc/62/45/02/345624502.db2.gz VCWQBHZUMHLWPJ-JGVFFNPUSA-N 0 0 199.319 1.654 10 0 ADAERN O=C1CC[C@@H](c2ccns2)C1 306802970 345624556 /nfs/dbraw/zinc/62/45/56/345624556.db2.gz UYMHSAIGWAHTID-ZCFIWIBFSA-N 0 0 167.233 1.980 10 0 ADAERN CC(C)(C)Oc1ncc(F)c(N)n1 306802905 345624577 /nfs/dbraw/zinc/62/45/77/345624577.db2.gz URYMQMZWOAJRSI-UHFFFAOYSA-N 0 0 185.202 1.375 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)C12CCSCC2 306803027 345624595 /nfs/dbraw/zinc/62/45/95/345624595.db2.gz VCWQBHZUMHLWPJ-SFYZADRCSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)C12CCSCC2 306803028 345624635 /nfs/dbraw/zinc/62/46/35/345624635.db2.gz VCWQBHZUMHLWPJ-YUMQZZPRSA-N 0 0 199.319 1.654 10 0 ADAERN Cc1nn(C)cc1C(=O)C1(C)CC1 306803265 345624886 /nfs/dbraw/zinc/62/48/86/345624886.db2.gz VRZJCJRQTCZREN-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN CC(C)(C)N1C(=O)C2(CC2)NC1=S 306803158 345625046 /nfs/dbraw/zinc/62/50/46/345625046.db2.gz VKPVZZMTHPQCNX-UHFFFAOYSA-N 0 0 198.291 1.034 10 0 ADAERN C[C@H]1CC[C@H](c2nc(C=O)c[nH]2)O1 306804969 345625461 /nfs/dbraw/zinc/62/54/61/345625461.db2.gz ZENALFBSQOLFBO-POYBYMJQSA-N 0 0 180.207 1.462 10 0 ADAERN C[C@@H]1CC[C@H](c2nc(C=O)c[nH]2)O1 306804968 345625564 /nfs/dbraw/zinc/62/55/64/345625564.db2.gz ZENALFBSQOLFBO-HTRCEHHLSA-N 0 0 180.207 1.462 10 0 ADAERN Cn1cnc([C@H](N)C(C)(F)F)c1 306804795 345625650 /nfs/dbraw/zinc/62/56/50/345625650.db2.gz YSYHSRFLLFDWFB-LURJTMIESA-N 0 0 175.182 1.075 10 0 ADAERN Cn1cnc([C@@H](N)C(C)(F)F)c1 306804796 345625676 /nfs/dbraw/zinc/62/56/76/345625676.db2.gz YSYHSRFLLFDWFB-ZCFIWIBFSA-N 0 0 175.182 1.075 10 0 ADAERN C[C@H]1CC[C@@H](c2nc(C=O)c[nH]2)O1 306804971 345625732 /nfs/dbraw/zinc/62/57/32/345625732.db2.gz ZENALFBSQOLFBO-XPUUQOCRSA-N 0 0 180.207 1.462 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc(C=O)c[nH]2)O1 306804970 345625745 /nfs/dbraw/zinc/62/57/45/345625745.db2.gz ZENALFBSQOLFBO-SVRRBLITSA-N 0 0 180.207 1.462 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1[C@@H]1CCSC1 306806158 345626103 /nfs/dbraw/zinc/62/61/03/345626103.db2.gz IWLGGQMJEJZHHM-VGMNWLOBSA-N 0 0 199.319 1.510 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1[C@H]1CCSC1 306806156 345626105 /nfs/dbraw/zinc/62/61/05/345626105.db2.gz IWLGGQMJEJZHHM-CIUDSAMLSA-N 0 0 199.319 1.510 10 0 ADAERN CC[C@@H]1NC(=O)[C@H]1C(C)C 306806142 345626145 /nfs/dbraw/zinc/62/61/45/345626145.db2.gz IUKLHXYCVMHLDW-BQBZGAKWSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1ccc(N[S@@](C)=O)c(C)c1N 306806217 345626172 /nfs/dbraw/zinc/62/61/72/345626172.db2.gz JAYXMTFLXBHDPE-CYBMUJFWSA-N 0 0 198.291 1.591 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@@H]1CCSC1 306806157 345626177 /nfs/dbraw/zinc/62/61/77/345626177.db2.gz IWLGGQMJEJZHHM-HRDYMLBCSA-N 0 0 199.319 1.510 10 0 ADAERN Cc1cocc1[C@H](NN)[C@@H]1CCOC1 306806259 345626179 /nfs/dbraw/zinc/62/61/79/345626179.db2.gz JDJGQTFQMOSAQS-PSASIEDQSA-N 0 0 196.250 1.129 10 0 ADAERN CC[C@H]1NC(=O)[C@@H]1C(C)C 306806144 345626181 /nfs/dbraw/zinc/62/61/81/345626181.db2.gz IUKLHXYCVMHLDW-RNFRBKRXSA-N 0 0 141.214 1.167 10 0 ADAERN Nc1csc(C(=O)NC2CC2)c1 306805249 345626187 /nfs/dbraw/zinc/62/61/87/345626187.db2.gz ZSORNKHGPOIJMN-UHFFFAOYSA-N 0 0 182.248 1.223 10 0 ADAERN CC[C@H]1NC(=O)[C@H]1C(C)C 306806145 345626209 /nfs/dbraw/zinc/62/62/09/345626209.db2.gz IUKLHXYCVMHLDW-RQJHMYQMSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1ccc(N[S@](C)=O)c(C)c1N 306806218 345626254 /nfs/dbraw/zinc/62/62/54/345626254.db2.gz JAYXMTFLXBHDPE-ZDUSSCGKSA-N 0 0 198.291 1.591 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@H]1CCSC1 306806159 345626274 /nfs/dbraw/zinc/62/62/74/345626274.db2.gz IWLGGQMJEJZHHM-XHNCKOQMSA-N 0 0 199.319 1.510 10 0 ADAERN Cc1cocc1[C@H](NN)[C@H]1CCOC1 306806261 345626621 /nfs/dbraw/zinc/62/66/21/345626621.db2.gz JDJGQTFQMOSAQS-WCBMZHEXSA-N 0 0 196.250 1.129 10 0 ADAERN Cc1cocc1[C@@H](NN)[C@@H]1CCOC1 306806260 345626675 /nfs/dbraw/zinc/62/66/75/345626675.db2.gz JDJGQTFQMOSAQS-SCZZXKLOSA-N 0 0 196.250 1.129 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1[C@H]1CC[C@@H](C)O1 306807427 345627329 /nfs/dbraw/zinc/62/73/29/345627329.db2.gz MIHSSDNCVFAYJC-ZYUZMQFOSA-N 0 0 197.278 1.325 10 0 ADAERN CNc1ccc(N[S@](C)=O)cc1 306806321 345626758 /nfs/dbraw/zinc/62/67/58/345626758.db2.gz JILYKKQGYQHIIK-LBPRGKRZSA-N 0 0 184.264 1.434 10 0 ADAERN C[S@@](=O)Nc1ccc(O)cc1F 306806286 345626769 /nfs/dbraw/zinc/62/67/69/345626769.db2.gz JFNXKJDBRFVJMZ-GFCCVEGCSA-N 0 0 189.211 1.237 10 0 ADAERN CNc1ccc(N[S@@](C)=O)cc1 306806320 345626780 /nfs/dbraw/zinc/62/67/80/345626780.db2.gz JILYKKQGYQHIIK-GFCCVEGCSA-N 0 0 184.264 1.434 10 0 ADAERN CCn1ccnc1[C@@H]1NCCCS1 306807045 345626828 /nfs/dbraw/zinc/62/68/28/345626828.db2.gz LLDDQQNRFBXHPU-SECBINFHSA-N 0 0 197.307 1.628 10 0 ADAERN Cc1cocc1[C@@H](NN)[C@H]1CCOC1 306806262 345626888 /nfs/dbraw/zinc/62/68/88/345626888.db2.gz JDJGQTFQMOSAQS-WPRPVWTQSA-N 0 0 196.250 1.129 10 0 ADAERN O=c1ccnc(CC2CCCC2)[nH]1 306807035 345626896 /nfs/dbraw/zinc/62/68/96/345626896.db2.gz LJUSVHVQDOQVPQ-UHFFFAOYSA-N 0 0 178.235 1.915 10 0 ADAERN CCn1ccnc1[C@H]1NCCCS1 306807046 345626951 /nfs/dbraw/zinc/62/69/51/345626951.db2.gz LLDDQQNRFBXHPU-VIFPVBQESA-N 0 0 197.307 1.628 10 0 ADAERN C[S@](=O)Nc1ccc(O)cc1F 306806287 345626957 /nfs/dbraw/zinc/62/69/57/345626957.db2.gz JFNXKJDBRFVJMZ-LBPRGKRZSA-N 0 0 189.211 1.237 10 0 ADAERN CC(C)(C)[C@@H]1C(=O)N[C@H]1[C@H]1CCOC1 306807521 345627106 /nfs/dbraw/zinc/62/71/06/345627106.db2.gz MORIDBMPUBQPFP-CIUDSAMLSA-N 0 0 197.278 1.184 10 0 ADAERN CC(C)C[C@@H]1C[C@H]1NC=O 306807486 345627139 /nfs/dbraw/zinc/62/71/39/345627139.db2.gz MNIHUTFFDHPCNN-HTQZYQBOSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1cocc1[C@@]1(O)CCCOCC1 306807261 345627142 /nfs/dbraw/zinc/62/71/42/345627142.db2.gz LTZNOYAYWVCPAO-LLVKDONJSA-N 0 0 196.246 1.976 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1NC=O 306807488 345627181 /nfs/dbraw/zinc/62/71/81/345627181.db2.gz MNIHUTFFDHPCNN-SFYZADRCSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1cocc1[C@]1(O)CCCOCC1 306807262 345627236 /nfs/dbraw/zinc/62/72/36/345627236.db2.gz LTZNOYAYWVCPAO-NSHDSACASA-N 0 0 196.246 1.976 10 0 ADAERN Cc1cocc1[C@H](N)c1cnsn1 306807372 345627262 /nfs/dbraw/zinc/62/72/62/345627262.db2.gz MERSLXRXHWZHTQ-QMMMGPOBSA-N 0 0 195.247 1.488 10 0 ADAERN CN[C@H](c1nc[nH]n1)c1cocc1C 306807555 345627290 /nfs/dbraw/zinc/62/72/90/345627290.db2.gz MQMLZNBLITVZBT-QMMMGPOBSA-N 0 0 192.222 1.015 10 0 ADAERN CC(C)C[C@H]1C[C@@H]1NC=O 306807489 345627299 /nfs/dbraw/zinc/62/72/99/345627299.db2.gz MNIHUTFFDHPCNN-YUMQZZPRSA-N 0 0 141.214 1.167 10 0 ADAERN CC(C)C[C@H]1C[C@H]1NC=O 306807487 345627370 /nfs/dbraw/zinc/62/73/70/345627370.db2.gz MNIHUTFFDHPCNN-JGVFFNPUSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1cocc1[C@@H](N)c1cnsn1 306807371 345627388 /nfs/dbraw/zinc/62/73/88/345627388.db2.gz MERSLXRXHWZHTQ-MRVPVSSYSA-N 0 0 195.247 1.488 10 0 ADAERN CC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@@H]1CCOC1 306807522 345627421 /nfs/dbraw/zinc/62/74/21/345627421.db2.gz MORIDBMPUBQPFP-HRDYMLBCSA-N 0 0 197.278 1.184 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1[C@H]1CC[C@@H](C)O1 306807425 345627437 /nfs/dbraw/zinc/62/74/37/345627437.db2.gz MIHSSDNCVFAYJC-IMSYWVGJSA-N 0 0 197.278 1.325 10 0 ADAERN CN[C@@H](c1nc[nH]n1)c1cocc1C 306807554 345627455 /nfs/dbraw/zinc/62/74/55/345627455.db2.gz MQMLZNBLITVZBT-MRVPVSSYSA-N 0 0 192.222 1.015 10 0 ADAERN CC(C)(C)[C@@H]1C(=O)N[C@H]1[C@@H]1CCOC1 306807523 345627495 /nfs/dbraw/zinc/62/74/95/345627495.db2.gz MORIDBMPUBQPFP-VGMNWLOBSA-N 0 0 197.278 1.184 10 0 ADAERN C[S@](=O)Nc1cccc(C=O)c1 306809695 345629076 /nfs/dbraw/zinc/62/90/76/345629076.db2.gz SIIVFTATOVUWOX-LBPRGKRZSA-N 0 0 183.232 1.205 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@H]1CC[C@@H](C)O1 306807424 345627514 /nfs/dbraw/zinc/62/75/14/345627514.db2.gz MIHSSDNCVFAYJC-DOLQZWNJSA-N 0 0 197.278 1.325 10 0 ADAERN CC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H]1CCOC1 306807524 345627534 /nfs/dbraw/zinc/62/75/34/345627534.db2.gz MORIDBMPUBQPFP-XHNCKOQMSA-N 0 0 197.278 1.184 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1[C@H]1CC[C@@H](C)O1 306807426 345627538 /nfs/dbraw/zinc/62/75/38/345627538.db2.gz MIHSSDNCVFAYJC-KYXWUPHJSA-N 0 0 197.278 1.325 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1C1CC1 306807917 345627617 /nfs/dbraw/zinc/62/76/17/345627617.db2.gz NLQJPYFIGYQYFS-YUMQZZPRSA-N 0 0 153.225 1.167 10 0 ADAERN CCC[S@@](=O)NC(C)C 306808197 345627618 /nfs/dbraw/zinc/62/76/18/345627618.db2.gz OENCSTDESQJVDL-SECBINFHSA-N 0 0 149.259 1.058 10 0 ADAERN CC(C)CCNOC(C)C 306808182 345627620 /nfs/dbraw/zinc/62/76/20/345627620.db2.gz ODHBXVWMTLWDFB-UHFFFAOYSA-N 0 0 145.246 1.962 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1NC#N 306808448 345627622 /nfs/dbraw/zinc/62/76/22/345627622.db2.gz PDEIKPRUIJMNEF-SFYZADRCSA-N 0 0 138.214 1.492 10 0 ADAERN Cn1ncnc1-c1cccc(=S)[nH]1 306808023 345627623 /nfs/dbraw/zinc/62/76/23/345627623.db2.gz NXBBULQKEDLURF-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN Cc1cocc1[C@@H](NN)c1ccco1 306807821 345627634 /nfs/dbraw/zinc/62/76/34/345627634.db2.gz NGKALDIBVMXOML-SNVBAGLBSA-N 0 0 192.218 1.734 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1C1CC1 306807915 345627673 /nfs/dbraw/zinc/62/76/73/345627673.db2.gz NLQJPYFIGYQYFS-JGVFFNPUSA-N 0 0 153.225 1.167 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1C1CC1 306807916 345627697 /nfs/dbraw/zinc/62/76/97/345627697.db2.gz NLQJPYFIGYQYFS-SFYZADRCSA-N 0 0 153.225 1.167 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1C1CC1 306807914 345627707 /nfs/dbraw/zinc/62/77/07/345627707.db2.gz NLQJPYFIGYQYFS-HTQZYQBOSA-N 0 0 153.225 1.167 10 0 ADAERN CN(c1cccc(O)c1)[S@](C)=O 306807857 345627709 /nfs/dbraw/zinc/62/77/09/345627709.db2.gz NJWUUUTWXMSXAK-LBPRGKRZSA-N 0 0 185.248 1.122 10 0 ADAERN Cc1cocc1[C@H](NN)c1ccco1 306807820 345627733 /nfs/dbraw/zinc/62/77/33/345627733.db2.gz NGKALDIBVMXOML-JTQLQIEISA-N 0 0 192.218 1.734 10 0 ADAERN CN(c1cccc(O)c1)[S@@](C)=O 306807856 345627749 /nfs/dbraw/zinc/62/77/49/345627749.db2.gz NJWUUUTWXMSXAK-GFCCVEGCSA-N 0 0 185.248 1.122 10 0 ADAERN C[S@@](=O)Nc1ccccc1O 306807682 345627758 /nfs/dbraw/zinc/62/77/58/345627758.db2.gz NAPQPTIKNRUFGI-LLVKDONJSA-N 0 0 171.221 1.098 10 0 ADAERN Cc1cocc1[C@@H](NN)C(F)F 306808301 345627778 /nfs/dbraw/zinc/62/77/78/345627778.db2.gz OOQKUTQFKKQEQB-ZCFIWIBFSA-N 0 0 176.166 1.358 10 0 ADAERN Cc1csc(-c2nc(N)n[nH]2)c1 306808265 345627873 /nfs/dbraw/zinc/62/78/73/345627873.db2.gz OLVWEWOSBNPMHI-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN C[S@](=O)Nc1ccccc1O 306807683 345627916 /nfs/dbraw/zinc/62/79/16/345627916.db2.gz NAPQPTIKNRUFGI-NSHDSACASA-N 0 0 171.221 1.098 10 0 ADAERN CC(C)C[C@@H]1C[C@H]1NC#N 306808446 345627925 /nfs/dbraw/zinc/62/79/25/345627925.db2.gz PDEIKPRUIJMNEF-HTQZYQBOSA-N 0 0 138.214 1.492 10 0 ADAERN CCC[S@](=O)NC(C)C 306808198 345627952 /nfs/dbraw/zinc/62/79/52/345627952.db2.gz OENCSTDESQJVDL-VIFPVBQESA-N 0 0 149.259 1.058 10 0 ADAERN CC(C)C[C@H]1C[C@H]1NC#N 306808447 345627957 /nfs/dbraw/zinc/62/79/57/345627957.db2.gz PDEIKPRUIJMNEF-JGVFFNPUSA-N 0 0 138.214 1.492 10 0 ADAERN Cc1cocc1[C@H](NN)C(F)F 306808300 345628008 /nfs/dbraw/zinc/62/80/08/345628008.db2.gz OOQKUTQFKKQEQB-LURJTMIESA-N 0 0 176.166 1.358 10 0 ADAERN CC(C)C[C@H]1C[C@@H]1NC#N 306808449 345628079 /nfs/dbraw/zinc/62/80/79/345628079.db2.gz PDEIKPRUIJMNEF-YUMQZZPRSA-N 0 0 138.214 1.492 10 0 ADAERN CNC(=O)N[C@H]1C[C@@H]1CC(C)C 306808657 345628227 /nfs/dbraw/zinc/62/82/27/345628227.db2.gz PSPPFQBBBQGOHO-YUMQZZPRSA-N 0 0 170.256 1.350 10 0 ADAERN Cc1cocc1[C@H](C)O 306808721 345628250 /nfs/dbraw/zinc/62/82/50/345628250.db2.gz PXPRJNDADNGCFK-LURJTMIESA-N 0 0 126.155 1.641 10 0 ADAERN CC(C)C[C@H]1C[C@H]1N1CCC(=O)C1=O 306808942 345628279 /nfs/dbraw/zinc/62/82/79/345628279.db2.gz QMSIEEOPXHFHKO-DTWKUNHWSA-N 0 0 195.262 1.222 10 0 ADAERN Cc1cocc1[C@@]1(O)CCCOC1 306810472 345629571 /nfs/dbraw/zinc/62/95/71/345629571.db2.gz UQMWOMIVNWQYGX-SNVBAGLBSA-N 0 0 182.219 1.586 10 0 ADAERN O=C1N[C@@H](C2CC2)[C@H]1C1CCCC1 306808966 345628330 /nfs/dbraw/zinc/62/83/30/345628330.db2.gz QOPPMWKDWDDBNF-ZJUUUORDSA-N 0 0 179.263 1.701 10 0 ADAERN CC[S@](=O)Nc1ccc(O)cc1C 306808972 345628386 /nfs/dbraw/zinc/62/83/86/345628386.db2.gz QPJFDVCJZCLEBM-ZDUSSCGKSA-N 0 0 199.275 1.796 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1N1CCC(=O)C1=O 306808921 345628406 /nfs/dbraw/zinc/62/84/06/345628406.db2.gz QMSIEEOPXHFHKO-BDAKNGLRSA-N 0 0 195.262 1.222 10 0 ADAERN CC[S@@](=O)Nc1ccc(O)cc1C 306808971 345628411 /nfs/dbraw/zinc/62/84/11/345628411.db2.gz QPJFDVCJZCLEBM-CYBMUJFWSA-N 0 0 199.275 1.796 10 0 ADAERN CCc1csc(NC2CN(C)C2)n1 306809146 345628417 /nfs/dbraw/zinc/62/84/17/345628417.db2.gz REGHHRYCHGIJDQ-UHFFFAOYSA-N 0 0 197.307 1.431 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)NOC(C)C 306809359 345628444 /nfs/dbraw/zinc/62/84/44/345628444.db2.gz RTUWBVYYHVTGRA-UHFFFAOYSA-N 0 0 197.238 1.096 10 0 ADAERN CNC(=O)N[C@@H]1C[C@@H]1CC(C)C 306808655 345628475 /nfs/dbraw/zinc/62/84/75/345628475.db2.gz PSPPFQBBBQGOHO-JGVFFNPUSA-N 0 0 170.256 1.350 10 0 ADAERN CNC(=O)N[C@H]1C[C@H]1CC(C)C 306808656 345628510 /nfs/dbraw/zinc/62/85/10/345628510.db2.gz PSPPFQBBBQGOHO-SFYZADRCSA-N 0 0 170.256 1.350 10 0 ADAERN CC(C)C[C@@H]1C[C@H]1N1CCC(=O)C1=O 306808944 345628521 /nfs/dbraw/zinc/62/85/21/345628521.db2.gz QMSIEEOPXHFHKO-RKDXNWHRSA-N 0 0 195.262 1.222 10 0 ADAERN Cc1csc(CNC=O)c1 306809245 345628586 /nfs/dbraw/zinc/62/85/86/345628586.db2.gz RIQAAFGBEWNANC-UHFFFAOYSA-N 0 0 155.222 1.303 10 0 ADAERN Cc1cocc1[C@@H](C)O 306808722 345628591 /nfs/dbraw/zinc/62/85/91/345628591.db2.gz PXPRJNDADNGCFK-ZCFIWIBFSA-N 0 0 126.155 1.641 10 0 ADAERN O=C1N[C@H](C2CC2)[C@H]1C1CCCC1 306808963 345628596 /nfs/dbraw/zinc/62/85/96/345628596.db2.gz QOPPMWKDWDDBNF-NXEZZACHSA-N 0 0 179.263 1.701 10 0 ADAERN CC(C)C[C@H]1C[C@@H]1N1CCC(=O)C1=O 306808943 345628680 /nfs/dbraw/zinc/62/86/80/345628680.db2.gz QMSIEEOPXHFHKO-IUCAKERBSA-N 0 0 195.262 1.222 10 0 ADAERN O=C1N[C@H](C2CC2)[C@@H]1C1CCCC1 306808965 345628707 /nfs/dbraw/zinc/62/87/07/345628707.db2.gz QOPPMWKDWDDBNF-VHSXEESVSA-N 0 0 179.263 1.701 10 0 ADAERN O=C1N[C@@H](C2CC2)[C@@H]1C1CCCC1 306808964 345628732 /nfs/dbraw/zinc/62/87/32/345628732.db2.gz QOPPMWKDWDDBNF-UWVGGRQHSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]1(C)c1nccs1 306809501 345628921 /nfs/dbraw/zinc/62/89/21/345628921.db2.gz AAAFVJGNVKAMPJ-HZGVNTEJSA-N 0 0 196.275 1.167 10 0 ADAERN C[C@H]1C(=O)NC[C@@]1(C)c1nccs1 306809502 345628911 /nfs/dbraw/zinc/62/89/11/345628911.db2.gz AAAFVJGNVKAMPJ-IMTBSYHQSA-N 0 0 196.275 1.167 10 0 ADAERN C[C@@H](C1CCC1)[C@@H]1CC(=O)NC1=O 306809716 345628928 /nfs/dbraw/zinc/62/89/28/345628928.db2.gz SJLAJIJYKJLCOX-XPUUQOCRSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@H](C1CCC1)[C@@H]1CC(=O)NC1=O 306809715 345628987 /nfs/dbraw/zinc/62/89/87/345628987.db2.gz SJLAJIJYKJLCOX-SVRRBLITSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@H](C1CCC1)[C@H]1CC(=O)NC1=O 306809713 345629011 /nfs/dbraw/zinc/62/90/11/345629011.db2.gz SJLAJIJYKJLCOX-HTRCEHHLSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@@H]1C(=O)NC[C@]1(C)c1nccs1 306809503 345629030 /nfs/dbraw/zinc/62/90/30/345629030.db2.gz AAAFVJGNVKAMPJ-MUWHJKNJSA-N 0 0 196.275 1.167 10 0 ADAERN C[C@H]1C(=O)NC[C@]1(C)c1nccs1 306809504 345629083 /nfs/dbraw/zinc/62/90/83/345629083.db2.gz AAAFVJGNVKAMPJ-RCOVLWMOSA-N 0 0 196.275 1.167 10 0 ADAERN Cc1csc(C(=O)NC2COC2)c1 306809884 345629208 /nfs/dbraw/zinc/62/92/08/345629208.db2.gz SPGAJTJTMCTEBJ-UHFFFAOYSA-N 0 0 197.259 1.185 10 0 ADAERN C[C@@H](C1CCC1)[C@H]1CC(=O)NC1=O 306809714 345629235 /nfs/dbraw/zinc/62/92/35/345629235.db2.gz SJLAJIJYKJLCOX-POYBYMJQSA-N 0 0 181.235 1.085 10 0 ADAERN C[S@@](=O)Nc1cccc(C=O)c1 306809694 345629277 /nfs/dbraw/zinc/62/92/77/345629277.db2.gz SIIVFTATOVUWOX-GFCCVEGCSA-N 0 0 183.232 1.205 10 0 ADAERN CCCN1CC(n2cc[nH]c2=S)C1 306809905 345629297 /nfs/dbraw/zinc/62/92/97/345629297.db2.gz SQSCHLZIFXJLFB-UHFFFAOYSA-N 0 0 197.307 1.439 10 0 ADAERN Cc1cocc1[C@]1(O)CCCOC1 306810471 345629560 /nfs/dbraw/zinc/62/95/60/345629560.db2.gz UQMWOMIVNWQYGX-JTQLQIEISA-N 0 0 182.219 1.586 10 0 ADAERN CC[S@](=O)Nc1ncc(N)cc1C 306810754 345629639 /nfs/dbraw/zinc/62/96/39/345629639.db2.gz VCJOLMGTFJFTQR-ZDUSSCGKSA-N 0 0 199.279 1.068 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)N[C@@H]1C[C@H]1C 306810815 345629772 /nfs/dbraw/zinc/62/97/72/345629772.db2.gz VHYBYXJLHGSJEX-ULAWRXDQSA-N 0 0 168.240 1.102 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H]1C 306810814 345629894 /nfs/dbraw/zinc/62/98/94/345629894.db2.gz VHYBYXJLHGSJEX-KVFPUHGPSA-N 0 0 168.240 1.102 10 0 ADAERN CC[S@@](=O)Nc1ncc(N)cc1C 306810753 345629926 /nfs/dbraw/zinc/62/99/26/345629926.db2.gz VCJOLMGTFJFTQR-CYBMUJFWSA-N 0 0 199.279 1.068 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1C[C@H]1C 306810817 345629938 /nfs/dbraw/zinc/62/99/38/345629938.db2.gz VHYBYXJLHGSJEX-XUTVFYLZSA-N 0 0 168.240 1.102 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N[C@@H]1C[C@H]1C 306810816 345629971 /nfs/dbraw/zinc/62/99/71/345629971.db2.gz VHYBYXJLHGSJEX-WCTZXXKLSA-N 0 0 168.240 1.102 10 0 ADAERN CC(C)ON[C@H]1CCO[C@H]1C 306811477 345630184 /nfs/dbraw/zinc/63/01/84/345630184.db2.gz XAICTERLQGRUOM-YUMQZZPRSA-N 0 0 159.229 1.093 10 0 ADAERN CCn1ccnc1[C@@H]1C[C@H]1C(C)=O 306811902 345630185 /nfs/dbraw/zinc/63/01/85/345630185.db2.gz XUJLGPNRUIGWJF-DTWKUNHWSA-N 0 0 178.235 1.596 10 0 ADAERN CC(C)[C@H]1NC(=O)[C@H]1C(C)(C)C 306811232 345630214 /nfs/dbraw/zinc/63/02/14/345630214.db2.gz WJSNBPCNDHXKER-JGVFFNPUSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)ON[C@H]1CCO[C@@H]1C 306811476 345630251 /nfs/dbraw/zinc/63/02/51/345630251.db2.gz XAICTERLQGRUOM-SFYZADRCSA-N 0 0 159.229 1.093 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@@H]1C(C)(C)C 306811233 345630263 /nfs/dbraw/zinc/63/02/63/345630263.db2.gz WJSNBPCNDHXKER-SFYZADRCSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@H]1C(C)(C)C 306811234 345630267 /nfs/dbraw/zinc/63/02/67/345630267.db2.gz WJSNBPCNDHXKER-YUMQZZPRSA-N 0 0 169.268 1.803 10 0 ADAERN C[S@](=O)Nc1c(N)cccc1F 306811209 345630269 /nfs/dbraw/zinc/63/02/69/345630269.db2.gz WHIRIDFUXNWQCU-LBPRGKRZSA-N 0 0 188.227 1.113 10 0 ADAERN CCn1ccnc1[C@H]1C[C@H]1C(C)=O 306811903 345630336 /nfs/dbraw/zinc/63/03/36/345630336.db2.gz XUJLGPNRUIGWJF-IUCAKERBSA-N 0 0 178.235 1.596 10 0 ADAERN CC(C)ON[C@@H]1CCO[C@H]1C 306811475 345630370 /nfs/dbraw/zinc/63/03/70/345630370.db2.gz XAICTERLQGRUOM-JGVFFNPUSA-N 0 0 159.229 1.093 10 0 ADAERN CCn1ccnc1[C@H]1C[C@@H]1C(C)=O 306811901 345630438 /nfs/dbraw/zinc/63/04/38/345630438.db2.gz XUJLGPNRUIGWJF-BDAKNGLRSA-N 0 0 178.235 1.596 10 0 ADAERN CC(C)ON[C@@H]1CCO[C@@H]1C 306811474 345630511 /nfs/dbraw/zinc/63/05/11/345630511.db2.gz XAICTERLQGRUOM-HTQZYQBOSA-N 0 0 159.229 1.093 10 0 ADAERN CCc1c[nH]c(N2CC[C@H](OC)C2)n1 306812307 345630904 /nfs/dbraw/zinc/63/09/04/345630904.db2.gz YUPIWHQCCQCEBX-VIFPVBQESA-N 0 0 195.266 1.197 10 0 ADAERN CC[S@@](=O)Nc1cc(C)ccc1O 306811941 345630834 /nfs/dbraw/zinc/63/08/34/345630834.db2.gz XWTHPEYGEALDTK-CYBMUJFWSA-N 0 0 199.275 1.796 10 0 ADAERN CCn1ccnc1[C@@H]1C[C@@H]1C(C)=O 306811904 345630890 /nfs/dbraw/zinc/63/08/90/345630890.db2.gz XUJLGPNRUIGWJF-RKDXNWHRSA-N 0 0 178.235 1.596 10 0 ADAERN CC[S@](=O)Nc1cc(C)ccc1O 306811942 345630893 /nfs/dbraw/zinc/63/08/93/345630893.db2.gz XWTHPEYGEALDTK-ZDUSSCGKSA-N 0 0 199.275 1.796 10 0 ADAERN CSC[C@@H](O)c1cocc1C 306812422 345630898 /nfs/dbraw/zinc/63/08/98/345630898.db2.gz ZDXBOKBYFLFTIA-MRVPVSSYSA-N 0 0 172.249 1.984 10 0 ADAERN O=C1CCN(C/C=C/C2CC2)CC1 306812599 345631070 /nfs/dbraw/zinc/63/10/70/345631070.db2.gz ZPGKHOOUKGHDDF-OWOJBTEDSA-N 0 0 179.263 1.618 10 0 ADAERN C[C@@H](Nc1ccn(C)n1)c1cn[nH]c1 306813002 345631080 /nfs/dbraw/zinc/63/10/80/345631080.db2.gz ACAKXOWYTLDEAW-SSDOTTSWSA-N 0 0 191.238 1.316 10 0 ADAERN C[C@H](Nc1ccn(C)n1)c1cn[nH]c1 306813008 345631231 /nfs/dbraw/zinc/63/12/31/345631231.db2.gz ACAKXOWYTLDEAW-ZETCQYMHSA-N 0 0 191.238 1.316 10 0 ADAERN COC(=O)Cc1cc(O)c(C)cc1C 306814263 345631677 /nfs/dbraw/zinc/63/16/77/345631677.db2.gz ARLYRYLXDDNFAQ-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN Cc1cnn(C)c1[C@](C)(O)CC(C)C 306814478 345631692 /nfs/dbraw/zinc/63/16/92/345631692.db2.gz COVSTAICSSANRK-LLVKDONJSA-N 0 0 196.294 1.982 10 0 ADAERN Cn1cnc(-c2noc(Cl)n2)c1 306814573 345631724 /nfs/dbraw/zinc/63/17/24/345631724.db2.gz BNIDHSCRULRMPF-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN Cc1nc(CN[C@@H]2CC[C@H]2O)cs1 306813654 345631763 /nfs/dbraw/zinc/63/17/63/345631763.db2.gz AVYMPIZLLUDKAT-RKDXNWHRSA-N 0 0 198.291 1.064 10 0 ADAERN Fc1ccc(F)c(OC(F)F)n1 306814420 345631871 /nfs/dbraw/zinc/63/18/71/345631871.db2.gz BAPXZXXZRHYVPB-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN Cc1cc(=O)[nH]c(C)c1C(N)=S 306814162 345631872 /nfs/dbraw/zinc/63/18/72/345631872.db2.gz BRONOUBVHMHUCB-UHFFFAOYSA-N 0 0 182.248 1.038 10 0 ADAERN CN(C)Nc1cnc(Cl)cn1 306814302 345631900 /nfs/dbraw/zinc/63/19/00/345631900.db2.gz AUDSVUMFADQCTQ-UHFFFAOYSA-N 0 0 172.619 1.019 10 0 ADAERN CCn1ncnc1C(=O)c1ccco1 306813851 345631950 /nfs/dbraw/zinc/63/19/50/345631950.db2.gz CGKUAJJOUWQSQY-UHFFFAOYSA-N 0 0 191.190 1.122 10 0 ADAERN Cc1cnn(C)c1[C@@](C)(O)CC(C)C 306814502 345631975 /nfs/dbraw/zinc/63/19/75/345631975.db2.gz COVSTAICSSANRK-NSHDSACASA-N 0 0 196.294 1.982 10 0 ADAERN CC1CC(OC(=O)c2cnns2)C1 306813874 345631989 /nfs/dbraw/zinc/63/19/89/345631989.db2.gz CIIUENPBYVXHPW-UHFFFAOYSA-N 0 0 198.247 1.493 10 0 ADAERN CC(C)NC(=O)N1CCC=C(F)C1 306813855 345631999 /nfs/dbraw/zinc/63/19/99/345631999.db2.gz CGOYUQQLDDXAET-UHFFFAOYSA-N 0 0 186.230 1.664 10 0 ADAERN Nc1nc([C@H]2[C@@H]3COC[C@@H]32)cs1 306814189 345632005 /nfs/dbraw/zinc/63/20/05/345632005.db2.gz ASBWOEVONGKBLA-KCQQBQQISA-N 0 0 182.248 1.085 10 0 ADAERN Cc1ccnc(N2[C@@H](C)C[C@H]2C)n1 306814642 345632300 /nfs/dbraw/zinc/63/23/00/345632300.db2.gz AXGHGWNHVLYLJU-DTORHVGOSA-N 0 0 177.251 1.772 10 0 ADAERN FC[C@H](c1ccco1)N1CCOCC1 306815070 345632305 /nfs/dbraw/zinc/63/23/05/345632305.db2.gz COHSUQHUZYTDNG-SECBINFHSA-N 0 0 199.225 1.622 10 0 ADAERN O=C1CSC([C@H]2CCCOC2)=N1 306815131 345632375 /nfs/dbraw/zinc/63/23/75/345632375.db2.gz CQUDXBZVTMZIQH-LURJTMIESA-N 0 0 185.248 1.743 10 0 ADAERN Cc1ccnc(N2[C@@H](C)C[C@@H]2C)n1 306814644 345632381 /nfs/dbraw/zinc/63/23/81/345632381.db2.gz AXGHGWNHVLYLJU-IUCAKERBSA-N 0 0 177.251 1.772 10 0 ADAERN O=C1CSC([C@@H]2CCCOC2)=N1 306815134 345632404 /nfs/dbraw/zinc/63/24/04/345632404.db2.gz CQUDXBZVTMZIQH-ZCFIWIBFSA-N 0 0 185.248 1.743 10 0 ADAERN CC(=O)c1cccc(N[S@@](C)=O)c1 306814957 345632443 /nfs/dbraw/zinc/63/24/43/345632443.db2.gz AXIXSPSIPHZDOD-CYBMUJFWSA-N 0 0 197.259 1.595 10 0 ADAERN CNC(=O)NCc1ccc(Cl)o1 306814711 345632445 /nfs/dbraw/zinc/63/24/45/345632445.db2.gz BRMVCGVCQNIOBL-UHFFFAOYSA-N 0 0 188.614 1.362 10 0 ADAERN CC(=O)c1cccc(N[S@](C)=O)c1 306814959 345632464 /nfs/dbraw/zinc/63/24/64/345632464.db2.gz AXIXSPSIPHZDOD-ZDUSSCGKSA-N 0 0 197.259 1.595 10 0 ADAERN CCC1(CC)CNC(=O)[C@H]1C 306816769 345632956 /nfs/dbraw/zinc/63/29/56/345632956.db2.gz BHSWEWVQVGEJOG-SSDOTTSWSA-N 0 0 155.241 1.559 10 0 ADAERN Nc1ncn(CC2=CCCCC2)n1 306815804 345632765 /nfs/dbraw/zinc/63/27/65/345632765.db2.gz AZQGVOGEAZXMKU-UHFFFAOYSA-N 0 0 178.239 1.361 10 0 ADAERN C[C@@H]1C[C@H]1C1=NC(=O)CS1 306815935 345632818 /nfs/dbraw/zinc/63/28/18/345632818.db2.gz DIRXHJWPIZWLRU-RFZPGFLSSA-N 0 0 155.222 1.972 10 0 ADAERN CC[C@H]1CCN1C(=O)NC1CC1 306816303 345632838 /nfs/dbraw/zinc/63/28/38/345632838.db2.gz BYXCEGYDIRHOAF-QMMMGPOBSA-N 0 0 168.240 1.343 10 0 ADAERN CS[C@@H](C)C(=O)N1CC=CCC1 306816555 345632907 /nfs/dbraw/zinc/63/29/07/345632907.db2.gz CEEUMLYSWJCSBQ-QMMMGPOBSA-N 0 0 185.292 1.526 10 0 ADAERN CCCC[C@@]1(C)COC(=O)N1 306816729 345632910 /nfs/dbraw/zinc/63/29/10/345632910.db2.gz CGVQVQWKPMVMNN-QMMMGPOBSA-N 0 0 157.213 1.675 10 0 ADAERN C[C@H]1C[C@@H]1C1=NC(=O)CS1 306815963 345632946 /nfs/dbraw/zinc/63/29/46/345632946.db2.gz DIRXHJWPIZWLRU-WHFBIAKZSA-N 0 0 155.222 1.972 10 0 ADAERN C[C@@H]1C[C@@H]1C1=NC(=O)CS1 306815940 345632951 /nfs/dbraw/zinc/63/29/51/345632951.db2.gz DIRXHJWPIZWLRU-UHNVWZDZSA-N 0 0 155.222 1.972 10 0 ADAERN CC[C@@H]1CCN1C(=O)NC1CC1 306816295 345632996 /nfs/dbraw/zinc/63/29/96/345632996.db2.gz BYXCEGYDIRHOAF-MRVPVSSYSA-N 0 0 168.240 1.343 10 0 ADAERN C[C@H]1C[C@H]1C1=NC(=O)CS1 306815931 345633004 /nfs/dbraw/zinc/63/30/04/345633004.db2.gz DIRXHJWPIZWLRU-CRCLSJGQSA-N 0 0 155.222 1.972 10 0 ADAERN CCCC[C@]1(C)COC(=O)N1 306816728 345633015 /nfs/dbraw/zinc/63/30/15/345633015.db2.gz CGVQVQWKPMVMNN-MRVPVSSYSA-N 0 0 157.213 1.675 10 0 ADAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCC[C@@H]2C[C@@H]21 306817510 345633436 /nfs/dbraw/zinc/63/34/36/345633436.db2.gz DVUJKDUBPILUHA-WCABBAIRSA-N 0 0 197.278 1.628 10 0 ADAERN NNC(=S)N[C@@H]1CC12CCCCC2 306816814 345633450 /nfs/dbraw/zinc/63/34/50/345633450.db2.gz BGOXNDWXDXIULD-SSDOTTSWSA-N 0 0 199.323 1.047 10 0 ADAERN Cc1cc(C(N)=O)c(C)cc1O 306817909 345633462 /nfs/dbraw/zinc/63/34/62/345633462.db2.gz CJIQFZJQNDCZMF-UHFFFAOYSA-N 0 0 165.192 1.108 10 0 ADAERN NNC(=S)N[C@H]1CC12CCCCC2 306816815 345633513 /nfs/dbraw/zinc/63/35/13/345633513.db2.gz BGOXNDWXDXIULD-ZETCQYMHSA-N 0 0 199.323 1.047 10 0 ADAERN Cc1ccn2nc(N(C)C)nc2c1 306817971 345633559 /nfs/dbraw/zinc/63/35/59/345633559.db2.gz CSYZTSXOQWJGOK-UHFFFAOYSA-N 0 0 176.223 1.104 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CCCC1 306816889 345633602 /nfs/dbraw/zinc/63/36/02/345633602.db2.gz BLLUOAFSKBWTOR-RKDXNWHRSA-N 0 0 167.252 1.655 10 0 ADAERN C[C@]1([C@H](NN)c2ccc[nH]2)CCCO1 306818335 345633656 /nfs/dbraw/zinc/63/36/56/345633656.db2.gz FIYVSDXGEFPSOP-NXEZZACHSA-N 0 0 195.266 1.088 10 0 ADAERN Cc1nc(Sc2ncccn2)n[nH]1 306818697 345633666 /nfs/dbraw/zinc/63/36/66/345633666.db2.gz CCFUMQLROZTIOX-UHFFFAOYSA-N 0 0 193.235 1.054 10 0 ADAERN C[C@@]1([C@H](NN)c2ccc[nH]2)CCCO1 306818345 345633684 /nfs/dbraw/zinc/63/36/84/345633684.db2.gz FIYVSDXGEFPSOP-ZJUUUORDSA-N 0 0 195.266 1.088 10 0 ADAERN C[C@@]1([C@@H](NN)c2ccc[nH]2)CCCO1 306818336 345633742 /nfs/dbraw/zinc/63/37/42/345633742.db2.gz FIYVSDXGEFPSOP-UWVGGRQHSA-N 0 0 195.266 1.088 10 0 ADAERN CC(=O)N1CC[C@H]2OCCC[C@H]2C1 306818185 345633789 /nfs/dbraw/zinc/63/37/89/345633789.db2.gz FFMDMTAIALXEFP-VHSXEESVSA-N 0 0 183.251 1.034 10 0 ADAERN COC(C)(C)C(=O)c1cnc(C)n1C 306818786 345633800 /nfs/dbraw/zinc/63/38/00/345633800.db2.gz FSXDZFUNZLZBQA-UHFFFAOYSA-N 0 0 196.250 1.336 10 0 ADAERN CC(=O)N1CC[C@@H]2OCCC[C@H]2C1 306818184 345633805 /nfs/dbraw/zinc/63/38/05/345633805.db2.gz FFMDMTAIALXEFP-UWVGGRQHSA-N 0 0 183.251 1.034 10 0 ADAERN C[C@]1([C@@H](NN)c2ccc[nH]2)CCCO1 306818337 345633827 /nfs/dbraw/zinc/63/38/27/345633827.db2.gz FIYVSDXGEFPSOP-VHSXEESVSA-N 0 0 195.266 1.088 10 0 ADAERN CC[C@H](/C=C/[C@@H](C)O)OC 306818385 345633849 /nfs/dbraw/zinc/63/38/49/345633849.db2.gz BXCKWNNWCORZMN-ZZTMBZGHSA-N 0 0 144.214 1.348 10 0 ADAERN CC[C@H](/C=C/[C@H](C)O)OC 306818384 345633880 /nfs/dbraw/zinc/63/38/80/345633880.db2.gz BXCKWNNWCORZMN-LXBADBFVSA-N 0 0 144.214 1.348 10 0 ADAERN CC(=O)N1CC[C@@H]2OCCC[C@@H]2C1 306818186 345634009 /nfs/dbraw/zinc/63/40/09/345634009.db2.gz FFMDMTAIALXEFP-ZJUUUORDSA-N 0 0 183.251 1.034 10 0 ADAERN CC(=O)N1CC[C@H]2OCCC[C@@H]2C1 306818183 345634047 /nfs/dbraw/zinc/63/40/47/345634047.db2.gz FFMDMTAIALXEFP-NXEZZACHSA-N 0 0 183.251 1.034 10 0 ADAERN CC1(C)CC(NC(=O)C(F)(F)F)C1 306818088 345634070 /nfs/dbraw/zinc/63/40/70/345634070.db2.gz DWCRXXWDPXXBPH-UHFFFAOYSA-N 0 0 195.184 1.854 10 0 ADAERN CC(C)c1ocnc1C(=O)N1CC1 306819037 345634361 /nfs/dbraw/zinc/63/43/61/345634361.db2.gz GCYIMOQEYVWCER-UHFFFAOYSA-N 0 0 180.207 1.254 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)NC2CC2)[C@@H]1C 306819003 345634506 /nfs/dbraw/zinc/63/45/06/345634506.db2.gz FNHKURIXLPKDOG-BHNWBGBOSA-N 0 0 182.267 1.493 10 0 ADAERN C[C@@H]1[C@@H](NC(=O)NC2CC2)C[C@H]1C 306819005 345634648 /nfs/dbraw/zinc/63/46/48/345634648.db2.gz FNHKURIXLPKDOG-FJXKBIBVSA-N 0 0 182.267 1.493 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1NC(=O)NC1CC1 306819004 345634655 /nfs/dbraw/zinc/63/46/55/345634655.db2.gz FNHKURIXLPKDOG-BKPPORCPSA-N 0 0 182.267 1.493 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)NC2CC2)[C@@H]1C 306819006 345634737 /nfs/dbraw/zinc/63/47/37/345634737.db2.gz FNHKURIXLPKDOG-ZXFLCMHBSA-N 0 0 182.267 1.493 10 0 ADAERN Cc1occc1[C@@H](NN)c1ccc[nH]1 306820045 345634940 /nfs/dbraw/zinc/63/49/40/345634940.db2.gz IJTRFPAJLWCXAW-SNVBAGLBSA-N 0 0 191.234 1.469 10 0 ADAERN Nc1c[nH]c(=O)cc1Br 306819704 345634995 /nfs/dbraw/zinc/63/49/95/345634995.db2.gz HKMXXNOJDTUEIK-UHFFFAOYSA-N 0 0 189.012 1.132 10 0 ADAERN Cc1occc1[C@H](NN)c1ccc[nH]1 306820044 345634961 /nfs/dbraw/zinc/63/49/61/345634961.db2.gz IJTRFPAJLWCXAW-JTQLQIEISA-N 0 0 191.234 1.469 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)[C@H]1CCCO1 306820013 345635078 /nfs/dbraw/zinc/63/50/78/345635078.db2.gz IENKOYUDHUDUKG-XHNCKOQMSA-N 0 0 183.251 1.175 10 0 ADAERN Cc1cc(Cl)c(F)c(C(N)=O)c1 306820484 345635419 /nfs/dbraw/zinc/63/54/19/345635419.db2.gz DRKGCDLJRJMRGZ-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN OCc1ccc(F)c(C(F)(F)F)n1 306820310 345635577 /nfs/dbraw/zinc/63/55/77/345635577.db2.gz MTDWEQGMJLUAFV-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN CC(C)N(C)C(=O)C1=CCCSC1 306820425 345635766 /nfs/dbraw/zinc/63/57/66/345635766.db2.gz JEGKOQRRLOUPGI-UHFFFAOYSA-N 0 0 199.319 1.917 10 0 ADAERN CC(C)n1cc(NC2CSC2)cn1 306820786 345635897 /nfs/dbraw/zinc/63/58/97/345635897.db2.gz JMCPQFLGBATPIC-UHFFFAOYSA-N 0 0 197.307 1.991 10 0 ADAERN CC(C)N(C)C(=O)[C@H]1CC[C@@H](O)C1 306821469 345636005 /nfs/dbraw/zinc/63/60/05/345636005.db2.gz KPUMSLCGCLSVJA-DTWKUNHWSA-N 0 0 185.267 1.014 10 0 ADAERN CC(C)(C)CC[C@@]1(C)CC(=O)NC1=O 306821434 345636074 /nfs/dbraw/zinc/63/60/74/345636074.db2.gz KKSHNJILEDHGIH-NSHDSACASA-N 0 0 197.278 1.866 10 0 ADAERN CC(C)N(C)C(=O)[C@H]1CC[C@H](O)C1 306821470 345636161 /nfs/dbraw/zinc/63/61/61/345636161.db2.gz KPUMSLCGCLSVJA-IUCAKERBSA-N 0 0 185.267 1.014 10 0 ADAERN Cc1cnn(C)c1[C@](C)(O)C(C)(C)C 306821460 345636167 /nfs/dbraw/zinc/63/61/67/345636167.db2.gz KOALMZFECXZIGL-NSHDSACASA-N 0 0 196.294 1.982 10 0 ADAERN Cc1nc([C@@H](N)C2=CCCCO2)co1 306821222 345636193 /nfs/dbraw/zinc/63/61/93/345636193.db2.gz JZDCTEFSKPOXNL-SNVBAGLBSA-N 0 0 194.234 1.677 10 0 ADAERN CC(C)N(C)C(=O)[C@@H]1CC[C@H](O)C1 306821468 345636212 /nfs/dbraw/zinc/63/62/12/345636212.db2.gz KPUMSLCGCLSVJA-BDAKNGLRSA-N 0 0 185.267 1.014 10 0 ADAERN C[C@@H]1N=C(C(C2CC2)C2CC2)NC1=O 306821453 345636227 /nfs/dbraw/zinc/63/62/27/345636227.db2.gz KNLWMHYANNQWGC-LURJTMIESA-N 0 0 192.262 1.339 10 0 ADAERN Cn1ncc([C@H](O)C2=CCCCC2)n1 306821443 345636243 /nfs/dbraw/zinc/63/62/43/345636243.db2.gz KLXXNUXSIMIYDL-SNVBAGLBSA-N 0 0 193.250 1.349 10 0 ADAERN Cc1cnn(C)c1[C@@](C)(O)C(C)(C)C 306821459 345636348 /nfs/dbraw/zinc/63/63/48/345636348.db2.gz KOALMZFECXZIGL-LLVKDONJSA-N 0 0 196.294 1.982 10 0 ADAERN Cc1nc([C@H](N)C2=CCCCO2)co1 306821221 345636370 /nfs/dbraw/zinc/63/63/70/345636370.db2.gz JZDCTEFSKPOXNL-JTQLQIEISA-N 0 0 194.234 1.677 10 0 ADAERN Cn1ncc([C@@H](O)C2=CCCCC2)n1 306821442 345636402 /nfs/dbraw/zinc/63/64/02/345636402.db2.gz KLXXNUXSIMIYDL-JTQLQIEISA-N 0 0 193.250 1.349 10 0 ADAERN Nc1cc(F)nc(Br)c1 306821205 345636436 /nfs/dbraw/zinc/63/64/36/345636436.db2.gz JXADOQPEXYRZAX-UHFFFAOYSA-N 0 0 191.003 1.565 10 0 ADAERN CC(C)(C)CC[C@]1(C)CC(=O)NC1=O 306821433 345636477 /nfs/dbraw/zinc/63/64/77/345636477.db2.gz KKSHNJILEDHGIH-LLVKDONJSA-N 0 0 197.278 1.866 10 0 ADAERN C[C@H]1N=C(C(C2CC2)C2CC2)NC1=O 306821454 345636483 /nfs/dbraw/zinc/63/64/83/345636483.db2.gz KNLWMHYANNQWGC-ZCFIWIBFSA-N 0 0 192.262 1.339 10 0 ADAERN CC1CN(C(=O)C(C)(C)C2CC2)C1 306822056 345636846 /nfs/dbraw/zinc/63/68/46/345636846.db2.gz MJEMICUPHCMHIQ-UHFFFAOYSA-N 0 0 181.279 1.901 10 0 ADAERN Nc1cncc(Br)c1F 306823201 345637250 /nfs/dbraw/zinc/63/72/50/345637250.db2.gz PFXUSORPFLEXGT-UHFFFAOYSA-N 0 0 191.003 1.565 10 0 ADAERN CCn1cnc([C@@]2(O)C=CCCC2)c1 306821880 345636671 /nfs/dbraw/zinc/63/66/71/345636671.db2.gz LSMIBESRFVUUCP-LLVKDONJSA-N 0 0 192.262 1.831 10 0 ADAERN CCn1cnc([C@]2(O)C=CCCC2)c1 306821881 345636688 /nfs/dbraw/zinc/63/66/88/345636688.db2.gz LSMIBESRFVUUCP-NSHDSACASA-N 0 0 192.262 1.831 10 0 ADAERN CC(C)CCNc1ccc(=O)[nH]n1 306822019 345636832 /nfs/dbraw/zinc/63/68/32/345636832.db2.gz MAFSXANQWXJQIA-UHFFFAOYSA-N 0 0 181.239 1.228 10 0 ADAERN C[C@@H](CC(F)F)N1CCC(=O)C1 306822193 345636842 /nfs/dbraw/zinc/63/68/42/345636842.db2.gz QKLBCPGBISDMAR-LURJTMIESA-N 0 0 177.194 1.305 10 0 ADAERN O=C1N[C@H](C2CCC2)C12CCC2 306821990 345636888 /nfs/dbraw/zinc/63/68/88/345636888.db2.gz PZPNKZPFPVYMPZ-MRVPVSSYSA-N 0 0 165.236 1.455 10 0 ADAERN C[C@H](CC(F)F)N1CCC(=O)C1 306822194 345636905 /nfs/dbraw/zinc/63/69/05/345636905.db2.gz QKLBCPGBISDMAR-ZCFIWIBFSA-N 0 0 177.194 1.305 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C 306822258 345636932 /nfs/dbraw/zinc/63/69/32/345636932.db2.gz MTMWAQKAGDJUQW-XFWSIPNHSA-N 0 0 181.279 1.803 10 0 ADAERN Cn1cc([C@@H](O)C2CCCCC2)nn1 306822282 345636991 /nfs/dbraw/zinc/63/69/91/345636991.db2.gz MYEHVYGUTGUQBD-JTQLQIEISA-N 0 0 195.266 1.429 10 0 ADAERN CC(=O)c1c[nH]c(C[C@@H]2CCOC2)n1 306822044 345637046 /nfs/dbraw/zinc/63/70/46/345637046.db2.gz MEVYGJXLQMGFQK-QMMMGPOBSA-N 0 0 194.234 1.191 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H]1C 306822107 345637066 /nfs/dbraw/zinc/63/70/66/345637066.db2.gz MTMWAQKAGDJUQW-AATLWQCWSA-N 0 0 181.279 1.803 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1C 306822259 345637096 /nfs/dbraw/zinc/63/70/96/345637096.db2.gz MTMWAQKAGDJUQW-XKNYDFJKSA-N 0 0 181.279 1.803 10 0 ADAERN O=C1N[C@@H](C2CCC2)C12CCC2 306821991 345637099 /nfs/dbraw/zinc/63/70/99/345637099.db2.gz PZPNKZPFPVYMPZ-QMMMGPOBSA-N 0 0 165.236 1.455 10 0 ADAERN C[C@@H](NC(=O)N[C@H]1C[C@H]1C)C1CC1 306822681 345637198 /nfs/dbraw/zinc/63/71/98/345637198.db2.gz NZTIEOSSURWZSC-BHNWBGBOSA-N 0 0 182.267 1.493 10 0 ADAERN Cn1cc([C@H](O)C2CCCCC2)nn1 306822283 345637124 /nfs/dbraw/zinc/63/71/24/345637124.db2.gz MYEHVYGUTGUQBD-SNVBAGLBSA-N 0 0 195.266 1.429 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]1C 306822257 345637136 /nfs/dbraw/zinc/63/71/36/345637136.db2.gz MTMWAQKAGDJUQW-KATARQTJSA-N 0 0 181.279 1.803 10 0 ADAERN CC(=O)c1c[nH]c(C[C@H]2CCOC2)n1 306822043 345637140 /nfs/dbraw/zinc/63/71/40/345637140.db2.gz MEVYGJXLQMGFQK-MRVPVSSYSA-N 0 0 194.234 1.191 10 0 ADAERN OC(c1cnccn1)(C1CC1)C1CC1 306822644 345637205 /nfs/dbraw/zinc/63/72/05/345637205.db2.gz NPHBTBGWGKPHAA-UHFFFAOYSA-N 0 0 190.246 1.484 10 0 ADAERN CC(C)C(c1ncnc(N)n1)C(C)C 306823035 345637354 /nfs/dbraw/zinc/63/73/54/345637354.db2.gz OVWZTMOQWKQJGJ-UHFFFAOYSA-N 0 0 194.282 1.849 10 0 ADAERN Cc1cc(C)c(C(N)=O)c(F)c1 306822824 345637473 /nfs/dbraw/zinc/63/74/73/345637473.db2.gz RQCCEJAHRYBBOH-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN Cc1cncc(C(=O)c2ccc[nH]2)c1 306822657 345637622 /nfs/dbraw/zinc/63/76/22/345637622.db2.gz NSBZKCQLGGZSLH-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN C[C@H](NC(=O)N[C@H]1C[C@H]1C)C1CC1 306822682 345637644 /nfs/dbraw/zinc/63/76/44/345637644.db2.gz NZTIEOSSURWZSC-FJXKBIBVSA-N 0 0 182.267 1.493 10 0 ADAERN OC(C(F)F)(C1CC1)C1CC1 306822912 345637688 /nfs/dbraw/zinc/63/76/88/345637688.db2.gz RXGVOPGCNUYAMV-UHFFFAOYSA-N 0 0 162.179 1.803 10 0 ADAERN Cc1nc(C(=O)C2CCOCC2)co1 306822972 345637693 /nfs/dbraw/zinc/63/76/93/345637693.db2.gz OIVLIRGBGSQOJX-UHFFFAOYSA-N 0 0 195.218 1.592 10 0 ADAERN Cc1nc(C(=O)N[C@H]2C[C@@H]2C)co1 306823572 345638038 /nfs/dbraw/zinc/63/80/38/345638038.db2.gz QMZHTMBBQGEJSA-FSPLSTOPSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1ccc([C@H](C)N(C)C(N)=O)o1 306823605 345638041 /nfs/dbraw/zinc/63/80/41/345638041.db2.gz QUKNFPNTMOZGEO-ZETCQYMHSA-N 0 0 182.223 1.660 10 0 ADAERN Cc1nc(C(=O)N[C@@H]2C[C@@H]2C)co1 306823571 345638081 /nfs/dbraw/zinc/63/80/81/345638081.db2.gz QMZHTMBBQGEJSA-CAHLUQPWSA-N 0 0 180.207 1.121 10 0 ADAERN Nc1ccnc(C(C2CC2)C2CC2)n1 306823585 345638202 /nfs/dbraw/zinc/63/82/02/345638202.db2.gz QPFGFXYBGDCZSB-UHFFFAOYSA-N 0 0 189.262 1.962 10 0 ADAERN CC(C)c1nc(C(=O)N2CC2)cs1 306823399 345638214 /nfs/dbraw/zinc/63/82/14/345638214.db2.gz PVPURSGGFQWBGV-UHFFFAOYSA-N 0 0 196.275 1.722 10 0 ADAERN COCC(=O)c1c[nH]c2ccccc12 306823419 345638268 /nfs/dbraw/zinc/63/82/68/345638268.db2.gz QBIPFKGNUHJQHN-UHFFFAOYSA-N 0 0 189.214 1.997 10 0 ADAERN Cc1nc(C(=O)N[C@@H]2C[C@H]2C)co1 306823573 345638277 /nfs/dbraw/zinc/63/82/77/345638277.db2.gz QMZHTMBBQGEJSA-IYSWYEEDSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1cc(N)c(-n2cncn2)cc1C 306823601 345638298 /nfs/dbraw/zinc/63/82/98/345638298.db2.gz QUBQYUUSARNMTE-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN Cc1ccc([C@@H](C)N(C)C(N)=O)o1 306823604 345638318 /nfs/dbraw/zinc/63/83/18/345638318.db2.gz QUKNFPNTMOZGEO-SSDOTTSWSA-N 0 0 182.223 1.660 10 0 ADAERN Cc1nc(C(=O)N[C@H]2C[C@H]2C)co1 306823574 345638397 /nfs/dbraw/zinc/63/83/97/345638397.db2.gz QMZHTMBBQGEJSA-VDTYLAMSSA-N 0 0 180.207 1.121 10 0 ADAERN CC(C)C(O)(c1cn(C)cn1)C(C)C 306823577 345638412 /nfs/dbraw/zinc/63/84/12/345638412.db2.gz QNUAONPUNDITBP-UHFFFAOYSA-N 0 0 196.294 1.920 10 0 ADAERN COCc1ccn(-c2cccnc2)n1 306824089 345638745 /nfs/dbraw/zinc/63/87/45/345638745.db2.gz SIDPVKMLEDHBRQ-UHFFFAOYSA-N 0 0 189.218 1.414 10 0 ADAERN CN[C@H](c1ccoc1)c1coc(C)n1 306824331 345638782 /nfs/dbraw/zinc/63/87/82/345638782.db2.gz TURJQKQOMDZSGD-SNVBAGLBSA-N 0 0 192.218 1.885 10 0 ADAERN CN[C@@H](c1ccoc1)c1coc(C)n1 306824330 345638796 /nfs/dbraw/zinc/63/87/96/345638796.db2.gz TURJQKQOMDZSGD-JTQLQIEISA-N 0 0 192.218 1.885 10 0 ADAERN CCC(=O)[C@@H](C)N1CC[C@@H](C)CC1=O 306824127 345638808 /nfs/dbraw/zinc/63/88/08/345638808.db2.gz SNAHVXRUQMSEIH-RKDXNWHRSA-N 0 0 197.278 1.613 10 0 ADAERN C[N@@H+]1CC[C@H](Oc2cccc(F)n2)C1 306824303 345638811 /nfs/dbraw/zinc/63/88/11/345638811.db2.gz SVABQVXDQBEZDS-QMMMGPOBSA-N 0 0 196.225 1.304 10 0 ADAERN CCC(=O)N[C@H]1CCC[C@H]2C[C@H]21 306823972 345638826 /nfs/dbraw/zinc/63/88/26/345638826.db2.gz VCYMPEMODMUNBI-YIZRAAEISA-N 0 0 167.252 1.701 10 0 ADAERN CCC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 306823971 345638867 /nfs/dbraw/zinc/63/88/67/345638867.db2.gz VCYMPEMODMUNBI-DJLDLDEBSA-N 0 0 167.252 1.701 10 0 ADAERN CSCc1csc(=NN)[nH]1 306824284 345638884 /nfs/dbraw/zinc/63/88/84/345638884.db2.gz STACSCRWRSHZLA-UHFFFAOYSA-N 0 0 175.282 1.292 10 0 ADAERN CCC(=O)[C@H](C)N1CC[C@@H](C)CC1=O 306824124 345638886 /nfs/dbraw/zinc/63/88/86/345638886.db2.gz SNAHVXRUQMSEIH-BDAKNGLRSA-N 0 0 197.278 1.613 10 0 ADAERN CCC(=O)[C@H](C)N1CC[C@H](C)CC1=O 306824126 345638908 /nfs/dbraw/zinc/63/89/08/345638908.db2.gz SNAHVXRUQMSEIH-IUCAKERBSA-N 0 0 197.278 1.613 10 0 ADAERN Nc1cncc(F)c1Br 306824064 345638910 /nfs/dbraw/zinc/63/89/10/345638910.db2.gz SCUURMLEBUWAMH-UHFFFAOYSA-N 0 0 191.003 1.565 10 0 ADAERN Nc1ncnc(C(C2CC2)C2CC2)n1 306823813 345638911 /nfs/dbraw/zinc/63/89/11/345638911.db2.gz RNSVFRBUOHKXMV-UHFFFAOYSA-N 0 0 190.250 1.357 10 0 ADAERN Nc1ccc(O)c2scnc12 306824407 345638916 /nfs/dbraw/zinc/63/89/16/345638916.db2.gz VXNJUAWTJNJCRJ-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN CCC(=O)[C@@H](C)N1CC[C@H](C)CC1=O 306824125 345638948 /nfs/dbraw/zinc/63/89/48/345638948.db2.gz SNAHVXRUQMSEIH-DTWKUNHWSA-N 0 0 197.278 1.613 10 0 ADAERN C[N@@H+]1CC[C@@H](Oc2cccc(F)n2)C1 306824302 345638951 /nfs/dbraw/zinc/63/89/51/345638951.db2.gz SVABQVXDQBEZDS-MRVPVSSYSA-N 0 0 196.225 1.304 10 0 ADAERN CCn1ncnc1-c1ccoc1C=O 306824502 345638992 /nfs/dbraw/zinc/63/89/92/345638992.db2.gz UNZNTKFYMYMHJN-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN CCn1cnc([C@@H]2CC[C@@H](O)[C@@H]2C)c1 306824904 345639283 /nfs/dbraw/zinc/63/92/83/345639283.db2.gz VNKXVCNXSUILFS-FXPVBKGRSA-N 0 0 194.278 1.777 10 0 ADAERN CCn1cnc([C@@H]2CC[C@H](O)[C@@H]2C)c1 306824906 345639317 /nfs/dbraw/zinc/63/93/17/345639317.db2.gz VNKXVCNXSUILFS-KKZNHRDASA-N 0 0 194.278 1.777 10 0 ADAERN Cn1ncnc1[C@@H]1CCCCC[C@H]1O 306825202 345639336 /nfs/dbraw/zinc/63/93/36/345639336.db2.gz WDCKVIQEOBUXKE-RKDXNWHRSA-N 0 0 195.266 1.224 10 0 ADAERN CCCC(=O)Nc1cc(O)ccc1N 306824749 345639339 /nfs/dbraw/zinc/63/93/39/345639339.db2.gz VAZXJZXVZWJYDY-UHFFFAOYSA-N 0 0 194.234 1.713 10 0 ADAERN CCn1cnc([C@@H]2CC[C@@H](O)[C@H]2C)c1 306824905 345639345 /nfs/dbraw/zinc/63/93/45/345639345.db2.gz VNKXVCNXSUILFS-IQJOONFLSA-N 0 0 194.278 1.777 10 0 ADAERN Cn1ncnc1[C@H]1CCCCC[C@@H]1O 306825201 345639427 /nfs/dbraw/zinc/63/94/27/345639427.db2.gz WDCKVIQEOBUXKE-IUCAKERBSA-N 0 0 195.266 1.224 10 0 ADAERN Cn1ncnc1[C@@H]1CCCCC[C@@H]1O 306825199 345639464 /nfs/dbraw/zinc/63/94/64/345639464.db2.gz WDCKVIQEOBUXKE-BDAKNGLRSA-N 0 0 195.266 1.224 10 0 ADAERN Cn1ncnc1[C@H]1CCCCC[C@H]1O 306825200 345639505 /nfs/dbraw/zinc/63/95/05/345639505.db2.gz WDCKVIQEOBUXKE-DTWKUNHWSA-N 0 0 195.266 1.224 10 0 ADAERN CCn1cnc([C@@H]2CC[C@H](O)[C@H]2C)c1 306824907 345639560 /nfs/dbraw/zinc/63/95/60/345639560.db2.gz VNKXVCNXSUILFS-NGZCFLSTSA-N 0 0 194.278 1.777 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1N1C[C@H](O)CO1 306825222 345639871 /nfs/dbraw/zinc/63/98/71/345639871.db2.gz WFZOXTCJYNOUFZ-VWYCJHECSA-N 0 0 199.294 1.563 10 0 ADAERN Cn1ccnc1[C@]1(O)CCC[C@H]2C[C@H]21 306825460 345639915 /nfs/dbraw/zinc/63/99/15/345639915.db2.gz WXOKPVSVYHVMBO-NGZCFLSTSA-N 0 0 192.262 1.428 10 0 ADAERN COc1cc(NC(=O)N(C)C)ccn1 306825476 345639922 /nfs/dbraw/zinc/63/99/22/345639922.db2.gz WZQQJVNQNTUVPO-UHFFFAOYSA-N 0 0 195.222 1.184 10 0 ADAERN Cn1ccnc1[C@]1(O)CCC[C@@H]2C[C@@H]21 306825462 345640008 /nfs/dbraw/zinc/64/00/08/345640008.db2.gz WXOKPVSVYHVMBO-YWVKMMECSA-N 0 0 192.262 1.428 10 0 ADAERN CC(C)NC(=O)N1C[C@@H]2CCC[C@@H]21 306825225 345640092 /nfs/dbraw/zinc/64/00/92/345640092.db2.gz WGPLOVYMAGGUTB-IUCAKERBSA-N 0 0 182.267 1.589 10 0 ADAERN CC(C)NC(=O)N1C[C@H]2CCC[C@@H]21 306825223 345640203 /nfs/dbraw/zinc/64/02/03/345640203.db2.gz WGPLOVYMAGGUTB-BDAKNGLRSA-N 0 0 182.267 1.589 10 0 ADAERN Cc1cnccc1C(=O)c1ccc[nH]1 306825604 345640221 /nfs/dbraw/zinc/64/02/21/345640221.db2.gz XJBZOGYBBSGXSD-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN CC(C)NC(=O)N1C[C@H]2CCC[C@H]21 306825226 345640225 /nfs/dbraw/zinc/64/02/25/345640225.db2.gz WGPLOVYMAGGUTB-RKDXNWHRSA-N 0 0 182.267 1.589 10 0 ADAERN CC[C@@H]1CCCC[C@H]1N1C[C@@H](O)CO1 306825219 345640243 /nfs/dbraw/zinc/64/02/43/345640243.db2.gz WFZOXTCJYNOUFZ-GMTAPVOTSA-N 0 0 199.294 1.563 10 0 ADAERN CC[C@@H]1CCCC[C@@H]1N1C[C@@H](O)CO1 306825220 345640266 /nfs/dbraw/zinc/64/02/66/345640266.db2.gz WFZOXTCJYNOUFZ-MXWKQRLJSA-N 0 0 199.294 1.563 10 0 ADAERN CC[C@@H]1CCCC[C@H]1N1C[C@H](O)CO1 306825221 345640276 /nfs/dbraw/zinc/64/02/76/345640276.db2.gz WFZOXTCJYNOUFZ-OUAUKWLOSA-N 0 0 199.294 1.563 10 0 ADAERN CC(C)NC(=O)N1C[C@@H]2CCC[C@H]21 306825224 345640313 /nfs/dbraw/zinc/64/03/13/345640313.db2.gz WGPLOVYMAGGUTB-DTWKUNHWSA-N 0 0 182.267 1.589 10 0 ADAERN CC(=O)CCc1cnns1 306825441 345640324 /nfs/dbraw/zinc/64/03/24/345640324.db2.gz WUQBDAZCQRRKJE-UHFFFAOYSA-N 0 0 156.210 1.060 10 0 ADAERN Cc1cc([C@@H](O)c2ccc[nH]2)ccn1 306826053 345640509 /nfs/dbraw/zinc/64/05/09/345640509.db2.gz YWWUKVMGTCVJSZ-LLVKDONJSA-N 0 0 188.230 1.800 10 0 ADAERN Fc1cccc(NC2CSC2)n1 306826117 345640554 /nfs/dbraw/zinc/64/05/54/345640554.db2.gz ZILQBTGRNSFVCX-UHFFFAOYSA-N 0 0 184.239 1.748 10 0 ADAERN CC(=O)C(=O)N[C@H]1CCCC[C@H]1C 306826041 345640559 /nfs/dbraw/zinc/64/05/59/345640559.db2.gz YTRJGORIXYRLHK-APPZFPTMSA-N 0 0 183.251 1.270 10 0 ADAERN CC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 306826042 345640639 /nfs/dbraw/zinc/64/06/39/345640639.db2.gz YTRJGORIXYRLHK-CBAPKCEASA-N 0 0 183.251 1.270 10 0 ADAERN CC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 306826044 345640667 /nfs/dbraw/zinc/64/06/67/345640667.db2.gz YTRJGORIXYRLHK-VXNVDRBHSA-N 0 0 183.251 1.270 10 0 ADAERN Cc1cc([C@H](O)c2ccc[nH]2)ccn1 306826054 345640721 /nfs/dbraw/zinc/64/07/21/345640721.db2.gz YWWUKVMGTCVJSZ-NSHDSACASA-N 0 0 188.230 1.800 10 0 ADAERN CC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 306826043 345640791 /nfs/dbraw/zinc/64/07/91/345640791.db2.gz YTRJGORIXYRLHK-IONNQARKSA-N 0 0 183.251 1.270 10 0 ADAERN CC(F)(F)C(=O)N[C@@H]1CC[C@H]2C[C@H]21 306825844 345640871 /nfs/dbraw/zinc/64/08/71/345640871.db2.gz YBJVAJOAWCHBSK-RRKCRQDMSA-N 0 0 189.205 1.556 10 0 ADAERN CC(F)(F)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 306825841 345640902 /nfs/dbraw/zinc/64/09/02/345640902.db2.gz YBJVAJOAWCHBSK-DSYKOEDSSA-N 0 0 189.205 1.556 10 0 ADAERN C[C@]12CCN(C(N)=O)C[C@H]1C2(F)F 306826494 345641148 /nfs/dbraw/zinc/64/11/48/345641148.db2.gz ZKGKTBUVBIZOCE-VDTYLAMSSA-N 0 0 190.193 1.042 10 0 ADAERN CC1=CCN(Cc2ccon2)CC1 306826691 345641373 /nfs/dbraw/zinc/64/13/73/345641373.db2.gz ALAIPXRLXYPBAK-UHFFFAOYSA-N 0 0 178.235 1.827 10 0 ADAERN Cc1c([C@H](O)c2ccc[nH]2)cnn1C 306826535 345641385 /nfs/dbraw/zinc/64/13/85/345641385.db2.gz ZSCWEQGOMOVWFH-JTQLQIEISA-N 0 0 191.234 1.138 10 0 ADAERN CC(C)(C)Nc1nccn2nccc12 306826473 345641389 /nfs/dbraw/zinc/64/13/89/345641389.db2.gz ZHQZKBCRTNTIBK-UHFFFAOYSA-N 0 0 190.250 1.940 10 0 ADAERN C[C@@]12CCN(C(N)=O)C[C@@H]1C2(F)F 306826491 345641403 /nfs/dbraw/zinc/64/14/03/345641403.db2.gz ZKGKTBUVBIZOCE-CAHLUQPWSA-N 0 0 190.193 1.042 10 0 ADAERN Cc1cccc(N)c1N1CCC1 306826693 345641424 /nfs/dbraw/zinc/64/14/24/345641424.db2.gz CHZKICZAQSRHIE-UHFFFAOYSA-N 0 0 162.236 1.787 10 0 ADAERN Cc1c([C@@H](O)c2ccc[nH]2)cnn1C 306826536 345641438 /nfs/dbraw/zinc/64/14/38/345641438.db2.gz ZSCWEQGOMOVWFH-SNVBAGLBSA-N 0 0 191.234 1.138 10 0 ADAERN Cc1cc(CNC=O)cs1 306826426 345641463 /nfs/dbraw/zinc/64/14/63/345641463.db2.gz AKPPVTQXGZZFLN-UHFFFAOYSA-N 0 0 155.222 1.303 10 0 ADAERN Cn1nccc1NCC1CC1 306826833 345641474 /nfs/dbraw/zinc/64/14/74/345641474.db2.gz AMLUJUOJYMUJIG-UHFFFAOYSA-N 0 0 151.213 1.242 10 0 ADAERN Cc1cnn(C)c1-c1noc(Cl)n1 306827846 345641786 /nfs/dbraw/zinc/64/17/86/345641786.db2.gz HQZCTBLFKLERNM-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN CNc1n[nH]c([C@H]2CCOC2)c1C 306827298 345641837 /nfs/dbraw/zinc/64/18/37/345641837.db2.gz DBCMRWRKZFRTKR-ZETCQYMHSA-N 0 0 181.239 1.264 10 0 ADAERN CNc1n[nH]c([C@@H]2CCOC2)c1C 306827297 345641886 /nfs/dbraw/zinc/64/18/86/345641886.db2.gz DBCMRWRKZFRTKR-SSDOTTSWSA-N 0 0 181.239 1.264 10 0 ADAERN COc1nc([C@@H](O)C2CC2)cs1 306827495 345641891 /nfs/dbraw/zinc/64/18/91/345641891.db2.gz DLCIENDHGIHGEW-ZETCQYMHSA-N 0 0 185.248 1.595 10 0 ADAERN COc1nc([C@H](O)C2CC2)cs1 306827494 345642024 /nfs/dbraw/zinc/64/20/24/345642024.db2.gz DLCIENDHGIHGEW-SSDOTTSWSA-N 0 0 185.248 1.595 10 0 ADAERN Cn1cnnc1C(=O)c1ccsc1 306827424 345642031 /nfs/dbraw/zinc/64/20/31/345642031.db2.gz HDNIUHZLOYKNJP-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CC[C@@H](O)C(=O)c1ccns1 306828567 345642474 /nfs/dbraw/zinc/64/24/74/345642474.db2.gz GDSYJCLNPGYUCR-RXMQYKEDSA-N 0 0 171.221 1.097 10 0 ADAERN CC[C@H](O)C(=O)c1ccns1 306828568 345642516 /nfs/dbraw/zinc/64/25/16/345642516.db2.gz GDSYJCLNPGYUCR-YFKPBYRVSA-N 0 0 171.221 1.097 10 0 ADAERN CC1(C)C(n2cnc(N)n2)C1(C)C 306828773 345642572 /nfs/dbraw/zinc/64/25/72/345642572.db2.gz GESMSWJEOCNXGM-UHFFFAOYSA-N 0 0 180.255 1.467 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@]12CC[C@@H](C)C2 306828313 345642637 /nfs/dbraw/zinc/64/26/37/345642637.db2.gz FSYOZYRLQNIQRV-UYAYMFIHSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1CC[C@]2(C1)[C@@H](C)NC(=O)[C@@H]2C 306828310 345642701 /nfs/dbraw/zinc/64/27/01/345642701.db2.gz FSYOZYRLQNIQRV-PKIKSRDPSA-N 0 0 181.279 1.947 10 0 ADAERN CC1(C2(N3CCC(=O)C3)CC2)CC1 306828260 345642703 /nfs/dbraw/zinc/64/27/03/345642703.db2.gz FNRORCYDPAILNX-UHFFFAOYSA-N 0 0 179.263 1.594 10 0 ADAERN Cc1cc(O)cc(C(N)=O)c1C 306828562 345642712 /nfs/dbraw/zinc/64/27/12/345642712.db2.gz GDFOQTGEVAIIIK-UHFFFAOYSA-N 0 0 165.192 1.108 10 0 ADAERN CC(C)(C)NC(=O)N1CCCCN1 306828493 345642744 /nfs/dbraw/zinc/64/27/44/345642744.db2.gz FXYOZTZLOMTACY-UHFFFAOYSA-N 0 0 185.271 1.095 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@]12CC[C@@H](C)C2 306828311 345642750 /nfs/dbraw/zinc/64/27/50/345642750.db2.gz FSYOZYRLQNIQRV-SDNRWEOFSA-N 0 0 181.279 1.947 10 0 ADAERN CSC1(C(=O)Nc2cnoc2)CC1 306828759 345642773 /nfs/dbraw/zinc/64/27/73/345642773.db2.gz IYKXGZRZSWLTSB-UHFFFAOYSA-N 0 0 198.247 1.509 10 0 ADAERN COC(=O)N[C@@H]1CCCC(F)(F)C1 306828138 345642781 /nfs/dbraw/zinc/64/27/81/345642781.db2.gz IDYVBQZPKGOBEX-ZCFIWIBFSA-N 0 0 193.193 1.920 10 0 ADAERN C[C@@H]1C(=O)N[C@H](C)[C@@]12CC[C@@H](C)C2 306828312 345642804 /nfs/dbraw/zinc/64/28/04/345642804.db2.gz FSYOZYRLQNIQRV-TURQNECASA-N 0 0 181.279 1.947 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/nfs/dbraw/zinc/65/98/43/345659843.db2.gz VVOWIBRHPYDFDZ-LURJTMIESA-N 0 0 167.174 1.733 10 0 ADAERN Cn1nncc1N[C@@H]1CSC1(C)C 306856057 345660269 /nfs/dbraw/zinc/66/02/69/345660269.db2.gz WPJGKMRRUDYTPM-ZCFIWIBFSA-N 0 0 198.295 1.121 10 0 ADAERN C[S@@](=O)Nc1ccc(F)cc1N 306855705 345660301 /nfs/dbraw/zinc/66/03/01/345660301.db2.gz WFMVIZSUDAOOLC-GFCCVEGCSA-N 0 0 188.227 1.113 10 0 ADAERN Cn1nccc1[C@]1(O)CC[C@H]2C[C@H]21 306856445 345660353 /nfs/dbraw/zinc/66/03/53/345660353.db2.gz YADDFJITFCMUQC-XKSSXDPKSA-N 0 0 178.235 1.038 10 0 ADAERN Nc1ccnc(-c2ccns2)c1 306856193 345660377 /nfs/dbraw/zinc/66/03/77/345660377.db2.gz XPHCNMNXJMZRHS-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1nc(C(=O)C(F)F)cs1 306856103 345660406 /nfs/dbraw/zinc/66/04/06/345660406.db2.gz WSNGATBZAZKJHS-UHFFFAOYSA-N 0 0 177.175 1.899 10 0 ADAERN C[S@](=O)Nc1ccc(F)cc1N 306855706 345660486 /nfs/dbraw/zinc/66/04/86/345660486.db2.gz WFMVIZSUDAOOLC-LBPRGKRZSA-N 0 0 188.227 1.113 10 0 ADAERN Cn1nccc1[C@]1(O)CC[C@@H]2C[C@@H]21 306856443 345660539 /nfs/dbraw/zinc/66/05/39/345660539.db2.gz YADDFJITFCMUQC-WEDXCCLWSA-N 0 0 178.235 1.038 10 0 ADAERN Cn1nncc1N[C@H]1CSC1(C)C 306856056 345660583 /nfs/dbraw/zinc/66/05/83/345660583.db2.gz WPJGKMRRUDYTPM-LURJTMIESA-N 0 0 198.295 1.121 10 0 ADAERN CC[C@]1(C)C[C@@H]1n1cc[nH]c1=O 306857467 345660764 /nfs/dbraw/zinc/66/07/64/345660764.db2.gz ZVYXHGGNMXZFCR-IONNQARKSA-N 0 0 166.224 1.538 10 0 ADAERN C[C@H]1[C@H](C)CC[N@@H+]1/C=C/C(=O)[O-] 306857425 345660798 /nfs/dbraw/zinc/66/07/98/345660798.db2.gz YLNIJERMLONXAF-SLQBNDFVSA-N 0 0 169.224 1.315 10 0 ADAERN CC[C@@]1(C)C[C@@H]1n1cc[nH]c1=O 306857465 345660971 /nfs/dbraw/zinc/66/09/71/345660971.db2.gz ZVYXHGGNMXZFCR-CBAPKCEASA-N 0 0 166.224 1.538 10 0 ADAERN Nc1ncn([C@@H]2CCCC2(F)F)n1 306856921 345660982 /nfs/dbraw/zinc/66/09/82/345660982.db2.gz YVCZEGUHIMDPIZ-RXMQYKEDSA-N 0 0 188.181 1.221 10 0 ADAERN [O-]c1cccc(Cl)c1C1=[NH+]CCN1 306856960 345661013 /nfs/dbraw/zinc/66/10/13/345661013.db2.gz YZGGPLRAAJUDAC-UHFFFAOYSA-N 0 0 196.637 1.395 10 0 ADAERN Nc1ncn([C@H]2CCCC2(F)F)n1 306856922 345661037 /nfs/dbraw/zinc/66/10/37/345661037.db2.gz YVCZEGUHIMDPIZ-YFKPBYRVSA-N 0 0 188.181 1.221 10 0 ADAERN CC[C@]1(C)C[C@H]1n1cc[nH]c1=O 306857469 345661065 /nfs/dbraw/zinc/66/10/65/345661065.db2.gz ZVYXHGGNMXZFCR-VXNVDRBHSA-N 0 0 166.224 1.538 10 0 ADAERN C/C=C/CNc1cccnn1 306856844 345661071 /nfs/dbraw/zinc/66/10/71/345661071.db2.gz XRHFBGBVIBJGNF-NSCUHMNNSA-N 0 0 149.197 1.465 10 0 ADAERN C[C@H]1CC[N@H+](/C=C/C(=O)[O-])[C@@H]1C 306857427 345661089 /nfs/dbraw/zinc/66/10/89/345661089.db2.gz YLNIJERMLONXAF-VJYOWIMYSA-N 0 0 169.224 1.315 10 0 ADAERN C[C@@H]1CC[N@H+](/C=C/C(=O)[O-])[C@@H]1C 306857421 345661100 /nfs/dbraw/zinc/66/11/00/345661100.db2.gz YLNIJERMLONXAF-CTDODENGSA-N 0 0 169.224 1.315 10 0 ADAERN C[C@H]1CC[N@H+](/C=C/C(=O)[O-])[C@H]1C 306857423 345661140 /nfs/dbraw/zinc/66/11/40/345661140.db2.gz YLNIJERMLONXAF-ICLDZVTRSA-N 0 0 169.224 1.315 10 0 ADAERN CC[C@@]1(C)C[C@H]1n1cc[nH]c1=O 306857463 345661180 /nfs/dbraw/zinc/66/11/80/345661180.db2.gz ZVYXHGGNMXZFCR-APPZFPTMSA-N 0 0 166.224 1.538 10 0 ADAERN COc1ccc(F)c(N)c1OC 306857212 345661184 /nfs/dbraw/zinc/66/11/84/345661184.db2.gz ZNCYEUJWAZPMBS-UHFFFAOYSA-N 0 0 171.171 1.425 10 0 ADAERN Cc1nn(C)cc1C(=O)[C@@H](C)C1CC1 306858102 345661588 /nfs/dbraw/zinc/66/15/88/345661588.db2.gz CAQVMZXUFNNOTI-ZETCQYMHSA-N 0 0 192.262 1.957 10 0 ADAERN CNC(=S)N[C@H](C)c1cc(C)on1 306857716 345661676 /nfs/dbraw/zinc/66/16/76/345661676.db2.gz BJNAZMKXLKEKMQ-ZCFIWIBFSA-N 0 0 199.279 1.138 10 0 ADAERN Cc1nn(C)cc1C(=O)[C@H](C)C1CC1 306858100 345661745 /nfs/dbraw/zinc/66/17/45/345661745.db2.gz CAQVMZXUFNNOTI-SSDOTTSWSA-N 0 0 192.262 1.957 10 0 ADAERN O=c1[nH]nc(Cl)cc1C1=CCCC1 306858753 345662094 /nfs/dbraw/zinc/66/20/94/345662094.db2.gz CTFGZWIVBLMKEU-UHFFFAOYSA-N 0 0 196.637 1.991 10 0 ADAERN Cc1cc(F)c2c(c1)C(=O)CO2 306858628 345662111 /nfs/dbraw/zinc/66/21/11/345662111.db2.gz ZPIQEOGAZSXNQP-UHFFFAOYSA-N 0 0 166.151 1.709 10 0 ADAERN CC(=O)OC[C@H]1CCCC1(F)F 306858632 345662127 /nfs/dbraw/zinc/66/21/27/345662127.db2.gz ZPNXMZKVQCXIES-SSDOTTSWSA-N 0 0 178.178 1.985 10 0 ADAERN O=C(c1cccnc1)c1ccsn1 306858822 345662156 /nfs/dbraw/zinc/66/21/56/345662156.db2.gz BCUKDGVUYWXPQB-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN C[C@@H](Nc1ccnc(N)n1)C(F)F 306858482 345662168 /nfs/dbraw/zinc/66/21/68/345662168.db2.gz ZJQZULBCPJBAGI-SCSAIBSYSA-N 0 0 188.181 1.124 10 0 ADAERN CC[C@@H](O)[C@H](C)Nc1cncc(N)c1 306859105 345662199 /nfs/dbraw/zinc/66/21/99/345662199.db2.gz CSUFGBPXROXBAG-OIBJUYFYSA-N 0 0 195.266 1.235 10 0 ADAERN Cc1nc(C(=O)[C@H](C)O)cs1 306858851 345662267 /nfs/dbraw/zinc/66/22/67/345662267.db2.gz AFIJVSZDGYGLPL-BYPYZUCNSA-N 0 0 171.221 1.015 10 0 ADAERN Cn1cnnc1[C@@H]1CCCC(=O)C1 306858799 345662270 /nfs/dbraw/zinc/66/22/70/345662270.db2.gz ZZGVAJZRMUAUEP-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN CC[C@@H](O)[C@@H](C)Nc1cncc(N)c1 306859093 345662406 /nfs/dbraw/zinc/66/24/06/345662406.db2.gz CSUFGBPXROXBAG-GMSGAONNSA-N 0 0 195.266 1.235 10 0 ADAERN C[C@H](Nc1ccnc(N)n1)C(F)F 306858481 345662433 /nfs/dbraw/zinc/66/24/33/345662433.db2.gz ZJQZULBCPJBAGI-BYPYZUCNSA-N 0 0 188.181 1.124 10 0 ADAERN Cn1cnnc1[C@H]1CCCC(=O)C1 306858800 345662452 /nfs/dbraw/zinc/66/24/52/345662452.db2.gz ZZGVAJZRMUAUEP-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN Cc1nc(C(=O)[C@@H](C)O)cs1 306858856 345662468 /nfs/dbraw/zinc/66/24/68/345662468.db2.gz AFIJVSZDGYGLPL-SCSAIBSYSA-N 0 0 171.221 1.015 10 0 ADAERN CC(=O)OC[C@@H]1CCCC1(F)F 306858633 345662470 /nfs/dbraw/zinc/66/24/70/345662470.db2.gz ZPNXMZKVQCXIES-ZETCQYMHSA-N 0 0 178.178 1.985 10 0 ADAERN Cc1cnc(Cn2ccc(Cl)n2)o1 306859491 345662845 /nfs/dbraw/zinc/66/28/45/345662845.db2.gz CTZKAERGWXFVEY-UHFFFAOYSA-N 0 0 197.625 1.881 10 0 ADAERN CC(F)(F)CNc1ncns1 306859693 345662873 /nfs/dbraw/zinc/66/28/73/345662873.db2.gz BYTAOJKBKOMAEB-UHFFFAOYSA-N 0 0 179.195 1.605 10 0 ADAERN CC[C@H](O)[C@H](C)Nc1cncc(N)c1 306859115 345662891 /nfs/dbraw/zinc/66/28/91/345662891.db2.gz CSUFGBPXROXBAG-XVKPBYJWSA-N 0 0 195.266 1.235 10 0 ADAERN Cn1ncnc1[C@H]1CCCC(=O)C1 306859196 345663010 /nfs/dbraw/zinc/66/30/10/345663010.db2.gz CYHSLLPTOCFMOY-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN c1cnn(CCc2nccs2)c1 306859628 345663024 /nfs/dbraw/zinc/66/30/24/345663024.db2.gz DDNDVVYSJSVDAB-UHFFFAOYSA-N 0 0 179.248 1.582 10 0 ADAERN Cn1ncnc1[C@@H]1CCCC(=O)C1 306859194 345663047 /nfs/dbraw/zinc/66/30/47/345663047.db2.gz CYHSLLPTOCFMOY-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN N[C@]1(C(F)(F)F)CC[C@@H]2C[C@@H]21 306860034 345663315 /nfs/dbraw/zinc/66/33/15/345663315.db2.gz DIIJBYQVBWMUKN-NGJCXOISSA-N 0 0 165.158 1.676 10 0 ADAERN CC[C@H]([NH3+])c1cc(OC)ns1 306859973 345663373 /nfs/dbraw/zinc/66/33/73/345663373.db2.gz DKUQCTUCNHJAMP-YFKPBYRVSA-N 0 0 172.253 1.562 10 0 ADAERN Cn1cc(-c2cc(C[NH3+])cs2)cn1 306859831 345663431 /nfs/dbraw/zinc/66/34/31/345663431.db2.gz FKFFYXSDACCXSI-UHFFFAOYSA-N 0 0 193.275 1.607 10 0 ADAERN Cc1ncc([C@@H]2CCCC2=O)n1C 306860295 345663466 /nfs/dbraw/zinc/66/34/66/345663466.db2.gz DQFLSESVXNMKFM-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN CCn1cnc(-c2ccc(N)cn2)c1 306859979 345663479 /nfs/dbraw/zinc/66/34/79/345663479.db2.gz DKXQNYRCACGQND-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Cn1ncc(-c2cccc(=S)[nH]2)n1 306859781 345663555 /nfs/dbraw/zinc/66/35/55/345663555.db2.gz FGOCFIQVHRNUAE-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN N[C@]1(C(F)(F)F)CC[C@H]2C[C@H]21 306860033 345663558 /nfs/dbraw/zinc/66/35/58/345663558.db2.gz DIIJBYQVBWMUKN-KVQBGUIXSA-N 0 0 165.158 1.676 10 0 ADAERN C[C@H](NN)C(C)(C)C(C)(C)C 306860564 345664030 /nfs/dbraw/zinc/66/40/30/345664030.db2.gz DYASANFHJLEOPV-ZETCQYMHSA-N 0 0 158.289 1.911 10 0 ADAERN CC/C=C/C(=O)N[C@H]1[C@H]2CCC[C@H]21 306861100 345664445 /nfs/dbraw/zinc/66/44/45/345664445.db2.gz FGUGBXHLMHWQTG-OQONTNLTSA-N 0 0 179.263 1.867 10 0 ADAERN Fc1ccnc(N2CCCC2)c1 306861577 345664775 /nfs/dbraw/zinc/66/47/75/345664775.db2.gz FNXWRJLELRVUJC-UHFFFAOYSA-N 0 0 166.199 1.821 10 0 ADAERN Cc1cc(NC(C)(C)C)ncn1 306861218 345664802 /nfs/dbraw/zinc/66/48/02/345664802.db2.gz FYWXPZSKTMHUDS-UHFFFAOYSA-N 0 0 165.240 1.995 10 0 ADAERN CC[C@@H](O)[C@@H](C)Nc1nncs1 306862110 345664984 /nfs/dbraw/zinc/66/49/84/345664984.db2.gz GEMRXMFZBPNQGX-PHDIDXHHSA-N 0 0 187.268 1.109 10 0 ADAERN CC(C)(CO)SCC(F)F 306861805 345665046 /nfs/dbraw/zinc/66/50/46/345665046.db2.gz GPJIJSANTNOTGG-UHFFFAOYSA-N 0 0 170.224 1.756 10 0 ADAERN C=CC(=O)N[C@@]1(C)CC=CCC1 306861943 345665095 /nfs/dbraw/zinc/66/50/95/345665095.db2.gz HODQUXBMKKIGAR-JTQLQIEISA-N 0 0 165.236 1.787 10 0 ADAERN CC[C@@H](O)[C@H](C)Nc1nncs1 306862109 345665118 /nfs/dbraw/zinc/66/51/18/345665118.db2.gz GEMRXMFZBPNQGX-NTSWFWBYSA-N 0 0 187.268 1.109 10 0 ADAERN C=CC(=O)N[C@]1(C)CC=CCC1 306861945 345665130 /nfs/dbraw/zinc/66/51/30/345665130.db2.gz HODQUXBMKKIGAR-SNVBAGLBSA-N 0 0 165.236 1.787 10 0 ADAERN CCC(C)(C)NC(=O)N1CCOC1 306862106 345665237 /nfs/dbraw/zinc/66/52/37/345665237.db2.gz GDYWTBVOGOWXLR-UHFFFAOYSA-N 0 0 186.255 1.174 10 0 ADAERN Cc1n[nH]cc1CNc1csnn1 306862066 345665268 /nfs/dbraw/zinc/66/52/68/345665268.db2.gz GALGJQWQIZLZQC-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN C[C@@H]1CCN(c2cnc(Cl)cn2)C1 306862555 345665603 /nfs/dbraw/zinc/66/56/03/345665603.db2.gz IPAPCDKSRMGDDV-SSDOTTSWSA-N 0 0 197.669 1.976 10 0 ADAERN CC1(C(=O)N2CCCC[C@H]2CO)CC1 306862988 345665642 /nfs/dbraw/zinc/66/56/42/345665642.db2.gz HYOVGXXNPDVETF-VIFPVBQESA-N 0 0 197.278 1.160 10 0 ADAERN CC1(C(=O)N2CCCC[C@@H]2CO)CC1 306862987 345665645 /nfs/dbraw/zinc/66/56/45/345665645.db2.gz HYOVGXXNPDVETF-SECBINFHSA-N 0 0 197.278 1.160 10 0 ADAERN CC[C@H](c1ccc[nH]1)N1CCOCC1 306862890 345665708 /nfs/dbraw/zinc/66/57/08/345665708.db2.gz JBQHXQAZAVKCSC-LLVKDONJSA-N 0 0 194.278 1.798 10 0 ADAERN CC[C@H](O)[C@@H](C)Nc1nncs1 306862327 345665823 /nfs/dbraw/zinc/66/58/23/345665823.db2.gz GEMRXMFZBPNQGX-RITPCOANSA-N 0 0 187.268 1.109 10 0 ADAERN O=CN[C@@H]1CCCCC1(F)F 306862176 345665746 /nfs/dbraw/zinc/66/57/46/345665746.db2.gz HWDALFWNUWMJMC-ZCFIWIBFSA-N 0 0 163.167 1.310 10 0 ADAERN O=CN[C@H]1CCCCC1(F)F 306862174 345665876 /nfs/dbraw/zinc/66/58/76/345665876.db2.gz HWDALFWNUWMJMC-LURJTMIESA-N 0 0 163.167 1.310 10 0 ADAERN CC(C)=C(F)C(=O)N[C@@H]1C[C@H]1C 306862365 345665889 /nfs/dbraw/zinc/66/58/89/345665889.db2.gz IFVSDNXEMONMOO-RNFRBKRXSA-N 0 0 171.215 1.774 10 0 ADAERN C[C@H]1CCN(c2cnc(Cl)cn2)C1 306862556 345665917 /nfs/dbraw/zinc/66/59/17/345665917.db2.gz IPAPCDKSRMGDDV-ZETCQYMHSA-N 0 0 197.669 1.976 10 0 ADAERN CC[C@H](O)[C@H](C)Nc1nncs1 306862328 345665986 /nfs/dbraw/zinc/66/59/86/345665986.db2.gz GEMRXMFZBPNQGX-WDSKDSINSA-N 0 0 187.268 1.109 10 0 ADAERN CS(C)(=O)=Nc1cc(N)cc(N)c1 306862274 345666032 /nfs/dbraw/zinc/66/60/32/345666032.db2.gz HBUPBASHADUXFN-UHFFFAOYSA-N 0 0 199.279 1.210 10 0 ADAERN Cc1cocc1-c1c[nH]c(=O)cn1 306863267 345666186 /nfs/dbraw/zinc/66/61/86/345666186.db2.gz JNZAVJSMNBAIBK-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN C[C@@H]1C[C@H](n2nccc2N)[C@@H](C)O1 306863869 345666188 /nfs/dbraw/zinc/66/61/88/345666188.db2.gz KMNBJBYIPIBWDX-PRJMDXOYSA-N 0 0 181.239 1.204 10 0 ADAERN S=C1N=NC(CCC2CC2)N1 306864087 345666222 /nfs/dbraw/zinc/66/62/22/345666222.db2.gz JVZRJKYUYRYVKH-UHFFFAOYSA-N 0 0 169.253 1.436 10 0 ADAERN C[C@H](NC(N)=O)[C@@H]1CC1(C)C 306863417 345666227 /nfs/dbraw/zinc/66/62/27/345666227.db2.gz IRFRZNILPIVZJA-WDSKDSINSA-N 0 0 156.229 1.089 10 0 ADAERN C[C@H](NC(=O)C1=CCC1)C1CC1 306863419 345666232 /nfs/dbraw/zinc/66/62/32/345666232.db2.gz IRSWTNDTMLGMOZ-ZETCQYMHSA-N 0 0 165.236 1.621 10 0 ADAERN O=C1CCN([C@H]2CCC(F)(F)C2)C1 306863951 345666250 /nfs/dbraw/zinc/66/62/50/345666250.db2.gz JMGUYIQXWRJYLE-ZETCQYMHSA-N 0 0 189.205 1.449 10 0 ADAERN C[C@@H](NC(N)=O)[C@H]1CC1(C)C 306863415 345666261 /nfs/dbraw/zinc/66/62/61/345666261.db2.gz IRFRZNILPIVZJA-PHDIDXHHSA-N 0 0 156.229 1.089 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1n1nccc1N 306863867 345666279 /nfs/dbraw/zinc/66/62/79/345666279.db2.gz KMNBJBYIPIBWDX-GJMOJQLCSA-N 0 0 181.239 1.204 10 0 ADAERN Cn1cnc(C(=O)[C@H](O)C(C)(C)C)c1 306863423 345666318 /nfs/dbraw/zinc/66/63/18/345666318.db2.gz IRVWMFFLLUWART-VIFPVBQESA-N 0 0 196.250 1.010 10 0 ADAERN Cn1cnc(C(=O)[C@@H](O)C(C)(C)C)c1 306863422 345666337 /nfs/dbraw/zinc/66/63/37/345666337.db2.gz IRVWMFFLLUWART-SECBINFHSA-N 0 0 196.250 1.010 10 0 ADAERN C[C@H](NC(N)=O)[C@H]1CC1(C)C 306863414 345666385 /nfs/dbraw/zinc/66/63/85/345666385.db2.gz IRFRZNILPIVZJA-NTSWFWBYSA-N 0 0 156.229 1.089 10 0 ADAERN O=C1CCN([C@@H]2CCC(F)(F)C2)C1 306863949 345666432 /nfs/dbraw/zinc/66/64/32/345666432.db2.gz JMGUYIQXWRJYLE-SSDOTTSWSA-N 0 0 189.205 1.449 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1n1nccc1N 306863865 345666508 /nfs/dbraw/zinc/66/65/08/345666508.db2.gz KMNBJBYIPIBWDX-CSMHCCOUSA-N 0 0 181.239 1.204 10 0 ADAERN CC1(Cc2cc(N)on2)CC1 306863618 345666523 /nfs/dbraw/zinc/66/65/23/345666523.db2.gz KGRPVOVGTANKHY-UHFFFAOYSA-N 0 0 152.197 1.599 10 0 ADAERN C[C@@H](NC(N)=O)[C@@H]1CC1(C)C 306863416 345666549 /nfs/dbraw/zinc/66/65/49/345666549.db2.gz IRFRZNILPIVZJA-RITPCOANSA-N 0 0 156.229 1.089 10 0 ADAERN 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/nfs/dbraw/zinc/67/15/67/345671567.db2.gz XZPRFGLTGGKCPV-HTQZYQBOSA-N 0 0 180.251 1.966 10 0 ADAERN CCC1(CC)[C@H](C)NC(=O)[C@H]1C 306872984 345671606 /nfs/dbraw/zinc/67/16/06/345671606.db2.gz WLWIOIWVLJVYLD-SFYZADRCSA-N 0 0 169.268 1.947 10 0 ADAERN CCC1(CC)[C@H](C)C(=O)N[C@@H]1C 306872982 345671740 /nfs/dbraw/zinc/67/17/40/345671740.db2.gz WLWIOIWVLJVYLD-HTQZYQBOSA-N 0 0 169.268 1.947 10 0 ADAERN Cc1cnc(CN2[C@@H](C)C[C@@H]2C)o1 306873582 345671743 /nfs/dbraw/zinc/67/17/43/345671743.db2.gz XZPRFGLTGGKCPV-YUMQZZPRSA-N 0 0 180.251 1.966 10 0 ADAERN CC(C)(C)C(=O)c1cccc(N)n1 306873053 345671777 /nfs/dbraw/zinc/67/17/77/345671777.db2.gz WRJJYRSDMZLKKU-UHFFFAOYSA-N 0 0 178.235 1.893 10 0 ADAERN Cn1ccnc1C(=O)[C@]1(C)C[C@H]1F 306873042 345671783 /nfs/dbraw/zinc/67/17/83/345671783.db2.gz WQYMORUKWOJMFF-HZGVNTEJSA-N 0 0 182.198 1.351 10 0 ADAERN Cn1ccnc1C(=O)[C@@]1(C)C[C@@H]1F 306873045 345671794 /nfs/dbraw/zinc/67/17/94/345671794.db2.gz WQYMORUKWOJMFF-RCOVLWMOSA-N 0 0 182.198 1.351 10 0 ADAERN COc1cc(-c2nc(C)c[nH]2)sn1 306873812 345671841 /nfs/dbraw/zinc/67/18/41/345671841.db2.gz YJQVMVHWSWWCQD-UHFFFAOYSA-N 0 0 195.247 1.850 10 0 ADAERN Cn1ccnc1C(=O)[C@]1(C)C[C@@H]1F 306873043 345671850 /nfs/dbraw/zinc/67/18/50/345671850.db2.gz WQYMORUKWOJMFF-IMTBSYHQSA-N 0 0 182.198 1.351 10 0 ADAERN Cn1ccnc1C(=O)[C@@]1(C)C[C@H]1F 306873044 345671863 /nfs/dbraw/zinc/67/18/63/345671863.db2.gz WQYMORUKWOJMFF-MUWHJKNJSA-N 0 0 182.198 1.351 10 0 ADAERN CCC1(CC)[C@@H](C)NC(=O)[C@@H]1C 306872983 345671936 /nfs/dbraw/zinc/67/19/36/345671936.db2.gz WLWIOIWVLJVYLD-JGVFFNPUSA-N 0 0 169.268 1.947 10 0 ADAERN Cc1cnc(CN2[C@@H](C)C[C@H]2C)o1 306873581 345672097 /nfs/dbraw/zinc/67/20/97/345672097.db2.gz XZPRFGLTGGKCPV-OCAPTIKFSA-N 0 0 180.251 1.966 10 0 ADAERN CCC1(CC)[C@H](C)NC(=O)[C@@H]1C 306872985 345672110 /nfs/dbraw/zinc/67/21/10/345672110.db2.gz WLWIOIWVLJVYLD-YUMQZZPRSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@@](O)(c1ccoc1)c1ccccn1 306874671 345672296 /nfs/dbraw/zinc/67/22/96/345672296.db2.gz GIWJTNVDPSVIBG-LLVKDONJSA-N 0 0 189.214 1.930 10 0 ADAERN CC[C@H](Nc1ccncn1)[C@@H](C)O 306874499 345672313 /nfs/dbraw/zinc/67/23/13/345672313.db2.gz GGEBCLBJFGRADU-SFYZADRCSA-N 0 0 181.239 1.048 10 0 ADAERN CC(=O)c1ccnc([C@@H]2C[C@H]2C)n1 306873964 345672320 /nfs/dbraw/zinc/67/23/20/345672320.db2.gz YORQFFONTHMJSP-HTRCEHHLSA-N 0 0 176.219 1.803 10 0 ADAERN CC[C@@H](Nc1ccncn1)[C@@H](C)O 306874477 345672372 /nfs/dbraw/zinc/67/23/72/345672372.db2.gz GGEBCLBJFGRADU-HTQZYQBOSA-N 0 0 181.239 1.048 10 0 ADAERN CC[C@H](Nc1ccncn1)[C@H](C)O 306874510 345672416 /nfs/dbraw/zinc/67/24/16/345672416.db2.gz GGEBCLBJFGRADU-YUMQZZPRSA-N 0 0 181.239 1.048 10 0 ADAERN C[S@](=O)Nc1ccc(F)c(N)c1 306874649 345672429 /nfs/dbraw/zinc/67/24/29/345672429.db2.gz DXBVUHDRJZEUPZ-LBPRGKRZSA-N 0 0 188.227 1.113 10 0 ADAERN O=C(N1CCC1)C1(C(F)(F)F)CC1 306874595 345672449 /nfs/dbraw/zinc/67/24/49/345672449.db2.gz ACDZFPQPKWIWKQ-UHFFFAOYSA-N 0 0 193.168 1.561 10 0 ADAERN C[C@H]1CNC2(CSC2)SC1 306874235 345672471 /nfs/dbraw/zinc/67/24/71/345672471.db2.gz ZKMHNRZUTNSBSD-LURJTMIESA-N 0 0 175.322 1.402 10 0 ADAERN COCc1[nH+]ccc(N)c1C 306874788 345672499 /nfs/dbraw/zinc/67/24/99/345672499.db2.gz GMSUHYDHBUUNNT-UHFFFAOYSA-N 0 0 152.197 1.119 10 0 ADAERN CC(=O)c1ccnc([C@@H]2C[C@@H]2C)n1 306873965 345672528 /nfs/dbraw/zinc/67/25/28/345672528.db2.gz YORQFFONTHMJSP-POYBYMJQSA-N 0 0 176.219 1.803 10 0 ADAERN CC(=O)c1ccnc([C@H]2C[C@@H]2C)n1 306873967 345672534 /nfs/dbraw/zinc/67/25/34/345672534.db2.gz YORQFFONTHMJSP-XPUUQOCRSA-N 0 0 176.219 1.803 10 0 ADAERN C[S@@](=O)Nc1ccc(F)c(N)c1 306874646 345672547 /nfs/dbraw/zinc/67/25/47/345672547.db2.gz DXBVUHDRJZEUPZ-GFCCVEGCSA-N 0 0 188.227 1.113 10 0 ADAERN C[C@@H]1CNC2(CSC2)SC1 306874236 345672592 /nfs/dbraw/zinc/67/25/92/345672592.db2.gz ZKMHNRZUTNSBSD-ZCFIWIBFSA-N 0 0 175.322 1.402 10 0 ADAERN CC(=O)c1ccnc([C@H]2C[C@H]2C)n1 306873966 345672613 /nfs/dbraw/zinc/67/26/13/345672613.db2.gz YORQFFONTHMJSP-SVRRBLITSA-N 0 0 176.219 1.803 10 0 ADAERN CC[C@@H](Nc1ccncn1)[C@H](C)O 306874488 345672676 /nfs/dbraw/zinc/67/26/76/345672676.db2.gz GGEBCLBJFGRADU-JGVFFNPUSA-N 0 0 181.239 1.048 10 0 ADAERN O=CNCc1csc2c1CCCC2 306874311 345672684 /nfs/dbraw/zinc/67/26/84/345672684.db2.gz ZODYWSKCJOQJRH-UHFFFAOYSA-N 0 0 195.287 1.873 10 0 ADAERN CSC(C)(C)c1nccc(N)n1 306874733 345672687 /nfs/dbraw/zinc/67/26/87/345672687.db2.gz AGAOKCMADCPWES-UHFFFAOYSA-N 0 0 183.280 1.657 10 0 ADAERN Cc1cc(C)nc([C@H](C)NN)c1 306875392 345672857 /nfs/dbraw/zinc/67/28/57/345672857.db2.gz FTEOQSXGVPWIMR-QMMMGPOBSA-N 0 0 165.240 1.223 10 0 ADAERN C[C@@H]1C(=O)N[C@H](C)[C@]12CC[C@H]2C 306875161 345672876 /nfs/dbraw/zinc/67/28/76/345672876.db2.gz AOPZPLTXAARVGF-DQUBFYRCSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1CC[C@]12[C@@H](C)NC(=O)[C@@H]2C 306875163 345672896 /nfs/dbraw/zinc/67/28/96/345672896.db2.gz AOPZPLTXAARVGF-JIOCBJNQSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@]12CC[C@H]2C 306875164 345672981 /nfs/dbraw/zinc/67/29/81/345672981.db2.gz AOPZPLTXAARVGF-ODXREFDESA-N 0 0 167.252 1.557 10 0 ADAERN CCC1(CC)CN(C(=S)NC)C1 306875099 345673014 /nfs/dbraw/zinc/67/30/14/345673014.db2.gz AJZMCHIQNDBNOF-UHFFFAOYSA-N 0 0 186.324 1.613 10 0 ADAERN NC(=O)c1cc(O)c2ccsc2c1 306875633 345673028 /nfs/dbraw/zinc/67/30/28/345673028.db2.gz BAEAZJOZMNACAI-UHFFFAOYSA-N 0 0 193.227 1.706 10 0 ADAERN CSCCCn1ccnn1 306875281 345673146 /nfs/dbraw/zinc/67/31/46/345673146.db2.gz GVAHZLZQZZLXJG-UHFFFAOYSA-N 0 0 157.242 1.031 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]12CC[C@H]2C 306875165 345673209 /nfs/dbraw/zinc/67/32/09/345673209.db2.gz AOPZPLTXAARVGF-VEVYYDQMSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H]1COCCN(CC(F)F)C1 306875743 345673226 /nfs/dbraw/zinc/67/32/26/345673226.db2.gz HDPDREINFQMETE-SSDOTTSWSA-N 0 0 179.210 1.220 10 0 ADAERN Cc1cc(C)nc([C@@H](C)NN)c1 306875391 345673245 /nfs/dbraw/zinc/67/32/45/345673245.db2.gz FTEOQSXGVPWIMR-MRVPVSSYSA-N 0 0 165.240 1.223 10 0 ADAERN COCc1nc(-c2cscn2)no1 306875764 345673284 /nfs/dbraw/zinc/67/32/84/345673284.db2.gz HEMAEKZFERNTGE-UHFFFAOYSA-N 0 0 197.219 1.340 10 0 ADAERN C[C@@H]1COCCN(CC(F)F)C1 306875745 345673290 /nfs/dbraw/zinc/67/32/90/345673290.db2.gz HDPDREINFQMETE-ZETCQYMHSA-N 0 0 179.210 1.220 10 0 ADAERN CN(C)[C@@H]1CCCN[C@H]1C(F)(F)F 306876699 345673527 /nfs/dbraw/zinc/67/35/27/345673527.db2.gz BTSBNPAFNNPMHG-RNFRBKRXSA-N 0 0 196.216 1.231 10 0 ADAERN C[C@H]1CC[C@H](Cn2cc[nH]c2=S)O1 306875979 345673556 /nfs/dbraw/zinc/67/35/56/345673556.db2.gz BEVGNGMYCLRXKL-JGVFFNPUSA-N 0 0 198.291 1.739 10 0 ADAERN C[C@@H]1CC[C@@H](Cn2cc[nH]c2=S)O1 306875980 345673561 /nfs/dbraw/zinc/67/35/61/345673561.db2.gz BEVGNGMYCLRXKL-SFYZADRCSA-N 0 0 198.291 1.739 10 0 ADAERN C[C@H]1CC[C@@H](Cn2cc[nH]c2=S)O1 306875981 345673680 /nfs/dbraw/zinc/67/36/80/345673680.db2.gz BEVGNGMYCLRXKL-YUMQZZPRSA-N 0 0 198.291 1.739 10 0 ADAERN C[C@@H]1CC[C@H](Cn2cc[nH]c2=S)O1 306875978 345674107 /nfs/dbraw/zinc/67/41/07/345674107.db2.gz BEVGNGMYCLRXKL-HTQZYQBOSA-N 0 0 198.291 1.739 10 0 ADAERN CC(C)(O)C(=O)c1ccns1 306877494 345674187 /nfs/dbraw/zinc/67/41/87/345674187.db2.gz CGGQFUWKMLSQSN-UHFFFAOYSA-N 0 0 171.221 1.097 10 0 ADAERN CN(C1=NC(=O)CS1)C1CC1 306876825 345674343 /nfs/dbraw/zinc/67/43/43/345674343.db2.gz HRMIOWLRMMLWGE-UHFFFAOYSA-N 0 0 170.237 1.447 10 0 ADAERN C[C@]1(Cc2cnsn2)CCC(=O)C1 306877283 345674374 /nfs/dbraw/zinc/67/43/74/345674374.db2.gz CECISMMEFZYZLA-SECBINFHSA-N 0 0 196.275 1.840 10 0 ADAERN CCC[C@@](C)(O)c1ccncn1 306877262 345674386 /nfs/dbraw/zinc/67/43/86/345674386.db2.gz HUDUSJIKDSCZHV-SECBINFHSA-N 0 0 166.224 1.484 10 0 ADAERN CNc1nc([C@H]2CC[C@H](C)O2)no1 306877457 345674390 /nfs/dbraw/zinc/67/43/90/345674390.db2.gz CJNARPJHGPKCJY-NTSWFWBYSA-N 0 0 183.211 1.351 10 0 ADAERN CCC[C@](C)(O)c1ccncn1 306877265 345674488 /nfs/dbraw/zinc/67/44/88/345674488.db2.gz HUDUSJIKDSCZHV-VIFPVBQESA-N 0 0 166.224 1.484 10 0 ADAERN CNc1nc([C@@H]2CC[C@H](C)O2)no1 306877475 345674513 /nfs/dbraw/zinc/67/45/13/345674513.db2.gz CJNARPJHGPKCJY-WDSKDSINSA-N 0 0 183.211 1.351 10 0 ADAERN C[C@@]1(Cc2cnsn2)CCC(=O)C1 306877286 345674516 /nfs/dbraw/zinc/67/45/16/345674516.db2.gz CECISMMEFZYZLA-VIFPVBQESA-N 0 0 196.275 1.840 10 0 ADAERN CNc1nc([C@@H]2CC[C@@H](C)O2)no1 306877471 345674577 /nfs/dbraw/zinc/67/45/77/345674577.db2.gz CJNARPJHGPKCJY-RITPCOANSA-N 0 0 183.211 1.351 10 0 ADAERN CNc1nc([C@H]2CC[C@@H](C)O2)no1 306877465 345674590 /nfs/dbraw/zinc/67/45/90/345674590.db2.gz CJNARPJHGPKCJY-PHDIDXHHSA-N 0 0 183.211 1.351 10 0 ADAERN CCn1ccc2cc[nH]c2c1=O 306877961 345674826 /nfs/dbraw/zinc/67/48/26/345674826.db2.gz IHFKJCSBSBWENO-UHFFFAOYSA-N 0 0 162.192 1.350 10 0 ADAERN CC(F)(F)C(=O)C1CCOCC1 306927825 345703397 /nfs/dbraw/zinc/70/33/97/345703397.db2.gz VXWXSYOTUSMBOV-UHFFFAOYSA-N 0 0 178.178 1.637 10 0 ADAERN CC1(CNc2ccon2)CC1 306928393 345703634 /nfs/dbraw/zinc/70/36/34/345703634.db2.gz YAYAWSRVWOMIPJ-UHFFFAOYSA-N 0 0 152.197 1.887 10 0 ADAERN Oc1cnc(C(F)(F)F)c(F)c1 306878688 345675510 /nfs/dbraw/zinc/67/55/10/345675510.db2.gz FKZLQOXWMXHDPP-UHFFFAOYSA-N 0 0 181.088 1.945 10 0 ADAERN C[C@]1(C(=O)Nc2ncc[nH]2)C[C@@H]1F 306878798 345675518 /nfs/dbraw/zinc/67/55/18/345675518.db2.gz FRMYSCSWHNDALD-XNCJUZBTSA-N 0 0 183.186 1.096 10 0 ADAERN C[C@@]1(C(=O)Nc2ncc[nH]2)C[C@H]1F 306878797 345675547 /nfs/dbraw/zinc/67/55/47/345675547.db2.gz FRMYSCSWHNDALD-SVGQVSJJSA-N 0 0 183.186 1.096 10 0 ADAERN C[C@@]1(C(=O)Nc2ncc[nH]2)C[C@@H]1F 306878800 345675745 /nfs/dbraw/zinc/67/57/45/345675745.db2.gz FRMYSCSWHNDALD-YLWLKBPMSA-N 0 0 183.186 1.096 10 0 ADAERN Cc1nc(Cn2cc(C)c(C)c2)n[nH]1 306879854 345676212 /nfs/dbraw/zinc/67/62/12/345676212.db2.gz FJUOHLMCRMCXQL-UHFFFAOYSA-N 0 0 190.250 1.580 10 0 ADAERN COCCSC(=S)N(C)C 306880238 345676707 /nfs/dbraw/zinc/67/67/07/345676707.db2.gz KNFBWILEMCMOJX-UHFFFAOYSA-N 0 0 179.310 1.213 10 0 ADAERN Nc1cc(F)cnc1NCC1CC1 306880110 345676843 /nfs/dbraw/zinc/67/68/43/345676843.db2.gz FTOPIPXIDRPDEY-UHFFFAOYSA-N 0 0 181.214 1.625 10 0 ADAERN C[C@H]1CCC[C@H](C(=O)N2CCCN2)C1 306880768 345676850 /nfs/dbraw/zinc/67/68/50/345676850.db2.gz GHMKGPVXVZRFGE-UWVGGRQHSA-N 0 0 196.294 1.550 10 0 ADAERN CSc1cc(C2([NH3+])CC2)ncn1 306880561 345677042 /nfs/dbraw/zinc/67/70/42/345677042.db2.gz KUHIEUKZOYSJDX-UHFFFAOYSA-N 0 0 181.264 1.146 10 0 ADAERN CC(C)[C@@H]1[C@H](C)NC(=O)[C@@H]1C 306943199 345710757 /nfs/dbraw/zinc/71/07/57/345710757.db2.gz IVZQHGHWLIVKQA-CSMHCCOUSA-N 0 0 155.241 1.413 10 0 ADAERN C[C@H]1CCC[C@@H](C(=O)N2CCCN2)C1 306880769 345677144 /nfs/dbraw/zinc/67/71/44/345677144.db2.gz GHMKGPVXVZRFGE-VHSXEESVSA-N 0 0 196.294 1.550 10 0 ADAERN CNC(=O)N[C@@H]1CCCCC1(F)F 306881350 345677494 /nfs/dbraw/zinc/67/74/94/345677494.db2.gz HHQWMDKPUYGOGH-ZCFIWIBFSA-N 0 0 192.209 1.493 10 0 ADAERN CC(=O)N1CCCC12CCCC2 306881012 345677504 /nfs/dbraw/zinc/67/75/04/345677504.db2.gz LKLMCMPFWLWUJW-UHFFFAOYSA-N 0 0 167.252 1.942 10 0 ADAERN CCC(C)(C)n1c(C)c[nH]c1=O 306880959 345677711 /nfs/dbraw/zinc/67/77/11/345677711.db2.gz LDANSYVJYOLHGP-UHFFFAOYSA-N 0 0 168.240 1.630 10 0 ADAERN CNC(=O)N[C@H]1CCCCC1(F)F 306881349 345677747 /nfs/dbraw/zinc/67/77/47/345677747.db2.gz HHQWMDKPUYGOGH-LURJTMIESA-N 0 0 192.209 1.493 10 0 ADAERN CC(C)=CC(=O)N[C@@H](C)C(F)F 306881563 345678045 /nfs/dbraw/zinc/67/80/45/345678045.db2.gz MGKAQHWMPZFXQQ-LURJTMIESA-N 0 0 177.194 1.722 10 0 ADAERN CC(C)=CC(=O)N[C@H](C)C(F)F 306881564 345678080 /nfs/dbraw/zinc/67/80/80/345678080.db2.gz MGKAQHWMPZFXQQ-ZCFIWIBFSA-N 0 0 177.194 1.722 10 0 ADAERN CC(C)=C(F)C(=O)Nc1cc[nH]n1 306881910 345678148 /nfs/dbraw/zinc/67/81/48/345678148.db2.gz MPWFDYWUOZRJKP-UHFFFAOYSA-N 0 0 183.186 1.612 10 0 ADAERN C[S@@](=O)C1(Cn2cccc2)CCC1 306881929 345678229 /nfs/dbraw/zinc/67/82/29/345678229.db2.gz MQMJROIZAFKBHE-CYBMUJFWSA-N 0 0 197.303 1.789 10 0 ADAERN C[S@](=O)C1(Cn2cccc2)CCC1 306881930 345678348 /nfs/dbraw/zinc/67/83/48/345678348.db2.gz MQMJROIZAFKBHE-ZDUSSCGKSA-N 0 0 197.303 1.789 10 0 ADAERN O=C(C(F)F)N1CCCCCO1 306881967 345678386 /nfs/dbraw/zinc/67/83/86/345678386.db2.gz MULPQCHFCUVFPK-UHFFFAOYSA-N 0 0 179.166 1.196 10 0 ADAERN O=C(OC1CCCC1)c1cnns1 306882434 345678901 /nfs/dbraw/zinc/67/89/01/345678901.db2.gz NFLZYMUISDTEKM-UHFFFAOYSA-N 0 0 198.247 1.638 10 0 ADAERN CC(C)[C@]1(C)C[C@H]1n1cc[nH]c1=O 306882387 345678816 /nfs/dbraw/zinc/67/88/16/345678816.db2.gz IWGKPYUTQQEBPC-SCZZXKLOSA-N 0 0 180.251 1.784 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1n1cc[nH]c1=O 306882388 345678830 /nfs/dbraw/zinc/67/88/30/345678830.db2.gz IWGKPYUTQQEBPC-WCBMZHEXSA-N 0 0 180.251 1.784 10 0 ADAERN O=C([O-])/C(F)=C/[C@@H]1CCCC[NH2+]1 306882589 345678849 /nfs/dbraw/zinc/67/88/49/345678849.db2.gz JAWKOXXVVFYNOE-ZHURGCMGSA-N 0 0 173.187 1.067 10 0 ADAERN CC(C)[C@]1(C)C[C@@H]1n1cc[nH]c1=O 306882389 345678923 /nfs/dbraw/zinc/67/89/23/345678923.db2.gz IWGKPYUTQQEBPC-WPRPVWTQSA-N 0 0 180.251 1.784 10 0 ADAERN Cc1nc(N)n([C@H](C)C(C)C)n1 306882382 345678966 /nfs/dbraw/zinc/67/89/66/345678966.db2.gz IVTRGAKQHCSJLI-ZCFIWIBFSA-N 0 0 168.244 1.386 10 0 ADAERN Cn1cnc(C(=O)[C@@H]2CCCS2)c1 306881981 345678970 /nfs/dbraw/zinc/67/89/70/345678970.db2.gz IHNGCVXIZUYBGH-QMMMGPOBSA-N 0 0 196.275 1.498 10 0 ADAERN CC(C)[C@@]1(C)C[C@H]1n1cc[nH]c1=O 306882386 345678972 /nfs/dbraw/zinc/67/89/72/345678972.db2.gz IWGKPYUTQQEBPC-PSASIEDQSA-N 0 0 180.251 1.784 10 0 ADAERN Cc1nc(N)n([C@@H](C)C(C)C)n1 306882381 345678973 /nfs/dbraw/zinc/67/89/73/345678973.db2.gz IVTRGAKQHCSJLI-LURJTMIESA-N 0 0 168.244 1.386 10 0 ADAERN O=C([O-])/C(F)=C/[C@H]1CCCC[NH2+]1 306882588 345679003 /nfs/dbraw/zinc/67/90/03/345679003.db2.gz JAWKOXXVVFYNOE-XOQWBGJWSA-N 0 0 173.187 1.067 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2ccns2)CO1 306883095 345679763 /nfs/dbraw/zinc/67/97/63/345679763.db2.gz JVWSVYALVXFSSE-NKWVEPMBSA-N 0 0 197.259 1.751 10 0 ADAERN Nc1csc(CCn2ccnc2)n1 306882736 345679550 /nfs/dbraw/zinc/67/95/50/345679550.db2.gz NQWVHBKLPJBEGQ-UHFFFAOYSA-N 0 0 194.263 1.165 10 0 ADAERN CC[C@@]1(C(=O)[O-])C[NH2+]C[C@@H](C)C1 306882643 345679616 /nfs/dbraw/zinc/67/96/16/345679616.db2.gz JGTLUZXWQNSOJU-CBAPKCEASA-N 0 0 171.240 1.097 10 0 ADAERN CC(C)[C@]1(C)[C@H](C)NC(=O)[C@H]1C 306882847 345679636 /nfs/dbraw/zinc/67/96/36/345679636.db2.gz JIUNFUVCSVTERM-WEDXCCLWSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)[C@]1(C)[C@H](C)NC(=O)[C@@H]1C 306882846 345679669 /nfs/dbraw/zinc/67/96/69/345679669.db2.gz JIUNFUVCSVTERM-NRPADANISA-N 0 0 169.268 1.803 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2ccns2)CO1 306883099 345679693 /nfs/dbraw/zinc/67/96/93/345679693.db2.gz JVWSVYALVXFSSE-RQJHMYQMSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2ccns2)CO1 306883093 345679701 /nfs/dbraw/zinc/67/97/01/345679701.db2.gz JVWSVYALVXFSSE-BQBZGAKWSA-N 0 0 197.259 1.751 10 0 ADAERN CCC(C)(C)NC(=O)Nc1nc[nH]n1 306883007 345679728 /nfs/dbraw/zinc/67/97/28/345679728.db2.gz OGLUXIDGZOCEAB-UHFFFAOYSA-N 0 0 197.242 1.115 10 0 ADAERN C[C@](O)(c1ccccn1)c1ccco1 306883197 345679752 /nfs/dbraw/zinc/67/97/52/345679752.db2.gz ONQCPFPPOUZIPO-NSHDSACASA-N 0 0 189.214 1.930 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2ccns2)CO1 306883097 345679758 /nfs/dbraw/zinc/67/97/58/345679758.db2.gz JVWSVYALVXFSSE-RNFRBKRXSA-N 0 0 197.259 1.751 10 0 ADAERN CC(C)[C@@]1(C)[C@H](C)C(=O)N[C@@H]1C 306882845 345679760 /nfs/dbraw/zinc/67/97/60/345679760.db2.gz JIUNFUVCSVTERM-MRTMQBJTSA-N 0 0 169.268 1.803 10 0 ADAERN CC[C@]1(C(=O)[O-])C[NH2+]C[C@@H](C)C1 306882644 345679772 /nfs/dbraw/zinc/67/97/72/345679772.db2.gz JGTLUZXWQNSOJU-IONNQARKSA-N 0 0 171.240 1.097 10 0 ADAERN CC[C@]1(C(=O)[O-])C[NH2+]C[C@H](C)C1 306882645 345679787 /nfs/dbraw/zinc/67/97/87/345679787.db2.gz JGTLUZXWQNSOJU-VXNVDRBHSA-N 0 0 171.240 1.097 10 0 ADAERN Cc1sccc1[C@H]1COCCN1 306882722 345679791 /nfs/dbraw/zinc/67/97/91/345679791.db2.gz NQFARXRQWAICJH-SECBINFHSA-N 0 0 183.276 1.717 10 0 ADAERN CC[C@@]1(C(=O)[O-])C[NH2+]C[C@H](C)C1 306882642 345679829 /nfs/dbraw/zinc/67/98/29/345679829.db2.gz JGTLUZXWQNSOJU-APPZFPTMSA-N 0 0 171.240 1.097 10 0 ADAERN C[C@@](O)(c1ccccn1)c1ccco1 306883196 345679830 /nfs/dbraw/zinc/67/98/30/345679830.db2.gz ONQCPFPPOUZIPO-LLVKDONJSA-N 0 0 189.214 1.930 10 0 ADAERN Cc1sccc1[C@@H]1COCCN1 306882723 345679841 /nfs/dbraw/zinc/67/98/41/345679841.db2.gz NQFARXRQWAICJH-VIFPVBQESA-N 0 0 183.276 1.717 10 0 ADAERN CCc1cc(C(N)=O)oc1CC 306882740 345679849 /nfs/dbraw/zinc/67/98/49/345679849.db2.gz NSNLPKJNDRGDEH-UHFFFAOYSA-N 0 0 167.208 1.503 10 0 ADAERN CCCNC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 306883930 345680379 /nfs/dbraw/zinc/68/03/79/345680379.db2.gz LEOUXDHVSQJOAW-AYMMMOKOSA-N 0 0 182.267 1.494 10 0 ADAERN O=C(CC1=CCCCC1)N1CC1 306884089 345680535 /nfs/dbraw/zinc/68/05/35/345680535.db2.gz PVNGCDWGLRZJML-UHFFFAOYSA-N 0 0 165.236 1.719 10 0 ADAERN CC[C@H](O)[C@H](C)Nc1cccc(C)n1 306883858 345680555 /nfs/dbraw/zinc/68/05/55/345680555.db2.gz PMWULPFYCADJOF-UWVGGRQHSA-N 0 0 194.278 1.961 10 0 ADAERN C[C@H]1C(=O)NC[C@]12CCC(C)(C)C2 306883773 345680575 /nfs/dbraw/zinc/68/05/75/345680575.db2.gz KZVNRMQPNBLJFU-GZMMTYOYSA-N 0 0 181.279 1.949 10 0 ADAERN CCc1c[nH]c(N(C)C2CC2)n1 306884183 345680627 /nfs/dbraw/zinc/68/06/27/345680627.db2.gz LLTGRJDOPJJBHU-UHFFFAOYSA-N 0 0 165.240 1.571 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]12CCC(C)(C)C2 306883774 345680636 /nfs/dbraw/zinc/68/06/36/345680636.db2.gz KZVNRMQPNBLJFU-KCJUWKMLSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H]1C(=O)NC[C@@]12CCC(C)(C)C2 306883775 345680713 /nfs/dbraw/zinc/68/07/13/345680713.db2.gz KZVNRMQPNBLJFU-KWQFWETISA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CCC(C)(C)C2 306883776 345680716 /nfs/dbraw/zinc/68/07/16/345680716.db2.gz KZVNRMQPNBLJFU-LDYMZIIASA-N 0 0 181.279 1.949 10 0 ADAERN CC[C@@H](O)[C@H](C)Nc1cccc(C)n1 306883859 345680750 /nfs/dbraw/zinc/68/07/50/345680750.db2.gz PMWULPFYCADJOF-VHSXEESVSA-N 0 0 194.278 1.961 10 0 ADAERN CC[C@H](O)[C@@H](C)Nc1cccc(C)n1 306883860 345680842 /nfs/dbraw/zinc/68/08/42/345680842.db2.gz PMWULPFYCADJOF-ZJUUUORDSA-N 0 0 194.278 1.961 10 0 ADAERN CC[C@@H](O)[C@@H](C)Nc1cccc(C)n1 306883857 345680856 /nfs/dbraw/zinc/68/08/56/345680856.db2.gz PMWULPFYCADJOF-NXEZZACHSA-N 0 0 194.278 1.961 10 0 ADAERN CO[C@H](C)[C@H]1C[C@@H]1C(C)=O 306884585 345681032 /nfs/dbraw/zinc/68/10/32/345681032.db2.gz MDHKRRUVTBXAFD-BWZBUEFSSA-N 0 0 142.198 1.246 10 0 ADAERN C[C@@H]1C[C@@H](Nc2nncs2)[C@@H]1C 306884991 345681037 /nfs/dbraw/zinc/68/10/37/345681037.db2.gz QWZAEPUYPNBSPI-FSDSQADBSA-N 0 0 183.280 1.995 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1nncs1 306884987 345681050 /nfs/dbraw/zinc/68/10/50/345681050.db2.gz QWZAEPUYPNBSPI-DSYKOEDSSA-N 0 0 183.280 1.995 10 0 ADAERN CO[C@H](C)[C@@H]1C[C@H]1C(C)=O 306884587 345681053 /nfs/dbraw/zinc/68/10/53/345681053.db2.gz MDHKRRUVTBXAFD-CSMHCCOUSA-N 0 0 142.198 1.246 10 0 ADAERN C[C@@H]1CC[C@@H]1[NH+]1CC(C)(C(=O)[O-])C1 306884978 345681062 /nfs/dbraw/zinc/68/10/62/345681062.db2.gz MURJDOMMEDJWTO-SFYZADRCSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H]1CC[C@@H]1[NH+]1CC(C)(C(=O)[O-])C1 306884980 345681117 /nfs/dbraw/zinc/68/11/17/345681117.db2.gz MURJDOMMEDJWTO-YUMQZZPRSA-N 0 0 183.251 1.191 10 0 ADAERN CO[C@H](C)[C@@H]1C[C@@H]1C(C)=O 306884591 345681135 /nfs/dbraw/zinc/68/11/35/345681135.db2.gz MDHKRRUVTBXAFD-PRJMDXOYSA-N 0 0 142.198 1.246 10 0 ADAERN Nc1cc(F)cnc1N1CCCCC1 306884949 345681156 /nfs/dbraw/zinc/68/11/56/345681156.db2.gz MSDSXECMRRAJIJ-UHFFFAOYSA-N 0 0 195.241 1.793 10 0 ADAERN C[C@@H]1C[C@H](Nc2nncs2)[C@@H]1C 306884995 345681163 /nfs/dbraw/zinc/68/11/63/345681163.db2.gz QWZAEPUYPNBSPI-QYNIQEEDSA-N 0 0 183.280 1.995 10 0 ADAERN CCN(c1cccnn1)C(C)C 306884698 345681225 /nfs/dbraw/zinc/68/12/25/345681225.db2.gz QQHWESAQMJZSRU-UHFFFAOYSA-N 0 0 165.240 1.711 10 0 ADAERN Nc1ccc(Cl)c2c1C(=O)CO2 306884357 345681308 /nfs/dbraw/zinc/68/13/08/345681308.db2.gz LXNFUWGQUDHAFF-UHFFFAOYSA-N 0 0 183.594 1.497 10 0 ADAERN C[C@@H]1CC[C@H]1[NH+]1CC(C)(C(=O)[O-])C1 306884976 345681297 /nfs/dbraw/zinc/68/12/97/345681297.db2.gz MURJDOMMEDJWTO-HTQZYQBOSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H](Nc1ncc(N)cn1)C(F)F 306884398 345681321 /nfs/dbraw/zinc/68/13/21/345681321.db2.gz QCSCQZHIGUEAFF-SCSAIBSYSA-N 0 0 188.181 1.124 10 0 ADAERN CO[C@H](C)[C@H]1C[C@H]1C(C)=O 306884589 345681362 /nfs/dbraw/zinc/68/13/62/345681362.db2.gz MDHKRRUVTBXAFD-GJMOJQLCSA-N 0 0 142.198 1.246 10 0 ADAERN C[C@@H]1[C@@H](Nc2nncs2)C[C@H]1C 306884999 345681368 /nfs/dbraw/zinc/68/13/68/345681368.db2.gz QWZAEPUYPNBSPI-VQVTYTSYSA-N 0 0 183.280 1.995 10 0 ADAERN O=C(c1ccco1)c1ccns1 306884308 345681376 /nfs/dbraw/zinc/68/13/76/345681376.db2.gz LUDQDTHGBWVGBR-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN Cc1cc(CO)c2c(C)noc2n1 306884384 345681403 /nfs/dbraw/zinc/68/14/03/345681403.db2.gz MAHZICVCKPRSJQ-UHFFFAOYSA-N 0 0 178.191 1.332 10 0 ADAERN C[C@H]1CC[C@H]1[NH+]1CC(C)(C(=O)[O-])C1 306884977 345681452 /nfs/dbraw/zinc/68/14/52/345681452.db2.gz MURJDOMMEDJWTO-JGVFFNPUSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H](Nc1ncc(N)cn1)C(F)F 306884392 345681460 /nfs/dbraw/zinc/68/14/60/345681460.db2.gz QCSCQZHIGUEAFF-BYPYZUCNSA-N 0 0 188.181 1.124 10 0 ADAERN CNC(=O)Nc1scnc1C 306963207 345721679 /nfs/dbraw/zinc/72/16/79/345721679.db2.gz HLZDEPFJSVCJEB-UHFFFAOYSA-N 0 0 171.225 1.203 10 0 ADAERN COC1CN(c2cccc(F)n2)C1 306885152 345681675 /nfs/dbraw/zinc/68/16/75/345681675.db2.gz MXKNCHBBDDJIRU-UHFFFAOYSA-N 0 0 182.198 1.056 10 0 ADAERN C[C@H](Nc1ccc(N)nc1)C(F)F 306885390 345681863 /nfs/dbraw/zinc/68/18/63/345681863.db2.gz RICCIPYWDKAYRP-YFKPBYRVSA-N 0 0 187.193 1.729 10 0 ADAERN C[C@@H](Nc1ccc(N)nc1)C(F)F 306885389 345681936 /nfs/dbraw/zinc/68/19/36/345681936.db2.gz RICCIPYWDKAYRP-RXMQYKEDSA-N 0 0 187.193 1.729 10 0 ADAERN O=C(Cn1cccn1)C1CCC1 306885447 345681971 /nfs/dbraw/zinc/68/19/71/345681971.db2.gz RNJMHJFDTHACTE-UHFFFAOYSA-N 0 0 164.208 1.252 10 0 ADAERN FCCNc1nccc(C(F)F)n1 306885051 345682048 /nfs/dbraw/zinc/68/20/48/345682048.db2.gz RDAWBMDEQUMWPQ-UHFFFAOYSA-N 0 0 191.156 1.796 10 0 ADAERN C[C@@H]1C(=O)N[C@H](C)C1(C)C 306886042 345682452 /nfs/dbraw/zinc/68/24/52/345682452.db2.gz OUMBHHKIETUTRF-PHDIDXHHSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@@H](NN)c1ccns1 306886027 345682595 /nfs/dbraw/zinc/68/25/95/345682595.db2.gz OTVDKKPYUPBHRM-RXMQYKEDSA-N 0 0 157.242 1.058 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)C1(C)C 306886044 345682625 /nfs/dbraw/zinc/68/26/25/345682625.db2.gz OUMBHHKIETUTRF-WDSKDSINSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@H]1NC(=O)[C@H](C)C1(C)C 306886041 345682758 /nfs/dbraw/zinc/68/27/58/345682758.db2.gz OUMBHHKIETUTRF-NTSWFWBYSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)C1(C)C 306886043 345682680 /nfs/dbraw/zinc/68/26/80/345682680.db2.gz OUMBHHKIETUTRF-RITPCOANSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@H](NN)c1ccns1 306886028 345682751 /nfs/dbraw/zinc/68/27/51/345682751.db2.gz OTVDKKPYUPBHRM-YFKPBYRVSA-N 0 0 157.242 1.058 10 0 ADAERN Cc1nnsc1[C@@H](O)C(F)F 306887189 345683143 /nfs/dbraw/zinc/68/31/43/345683143.db2.gz UDMCEDFXJAVNJH-GSVOUGTGSA-N 0 0 180.179 1.145 10 0 ADAERN Cc1nc(CNC2COC2)c(C)s1 306886873 345683213 /nfs/dbraw/zinc/68/32/13/345683213.db2.gz TXAPXNULPSGBPW-UHFFFAOYSA-N 0 0 198.291 1.248 10 0 ADAERN C=CC(=O)Nc1ncc(CC)s1 306886819 345683366 /nfs/dbraw/zinc/68/33/66/345683366.db2.gz SYXUSQWJRKSIHL-UHFFFAOYSA-N 0 0 182.248 1.830 10 0 ADAERN CC[C@@H](O)[C@H](C)Nc1ncc(C)cn1 306887444 345683661 /nfs/dbraw/zinc/68/36/61/345683661.db2.gz UMANFURHKKLOAA-DTWKUNHWSA-N 0 0 195.266 1.356 10 0 ADAERN O=CNC[C@@H]1CCCCC1(F)F 306887658 345683663 /nfs/dbraw/zinc/68/36/63/345683663.db2.gz USNYDXKOANFDES-ZETCQYMHSA-N 0 0 177.194 1.558 10 0 ADAERN CC[C@H](O)[C@H](C)Nc1ncc(C)cn1 306887445 345683674 /nfs/dbraw/zinc/68/36/74/345683674.db2.gz UMANFURHKKLOAA-IUCAKERBSA-N 0 0 195.266 1.356 10 0 ADAERN Cc1oncc1NCC1(C)COC1 306887598 345683695 /nfs/dbraw/zinc/68/36/95/345683695.db2.gz UPVGQZCUPGZVGK-UHFFFAOYSA-N 0 0 182.223 1.431 10 0 ADAERN O=C1CCC[C@H]1Cc1cnsn1 306887737 345683698 /nfs/dbraw/zinc/68/36/98/345683698.db2.gz RCKMLIYAMIHTMH-LURJTMIESA-N 0 0 182.248 1.450 10 0 ADAERN OC[C@@H]1C[C@@H]1Nc1ccc(Cl)cn1 306887704 345683719 /nfs/dbraw/zinc/68/37/19/345683719.db2.gz UWTUHPXRYWEWOB-XPUUQOCRSA-N 0 0 198.653 1.528 10 0 ADAERN O=c1ccc(F)cn1Cc1ccco1 306887461 345683727 /nfs/dbraw/zinc/68/37/27/345683727.db2.gz UNZZYRFTFXQUOB-UHFFFAOYSA-N 0 0 193.177 1.629 10 0 ADAERN OC[C@H]1C[C@@H]1Nc1ccc(Cl)cn1 306887703 345683759 /nfs/dbraw/zinc/68/37/59/345683759.db2.gz UWTUHPXRYWEWOB-SVRRBLITSA-N 0 0 198.653 1.528 10 0 ADAERN O=C1CCC[C@@H]1Cc1cnsn1 306887738 345683764 /nfs/dbraw/zinc/68/37/64/345683764.db2.gz RCKMLIYAMIHTMH-ZCFIWIBFSA-N 0 0 182.248 1.450 10 0 ADAERN Cc1nnsc1[C@H](O)C(F)F 306887190 345683776 /nfs/dbraw/zinc/68/37/76/345683776.db2.gz UDMCEDFXJAVNJH-VKHMYHEASA-N 0 0 180.179 1.145 10 0 ADAERN CCCn1[nH]c(=O)c2ccccc21 306887418 345683801 /nfs/dbraw/zinc/68/38/01/345683801.db2.gz UJYLARMDLITGIE-UHFFFAOYSA-N 0 0 176.219 1.740 10 0 ADAERN CC[C@@H](O)[C@@H](C)Nc1ncc(C)cn1 306887446 345683876 /nfs/dbraw/zinc/68/38/76/345683876.db2.gz UMANFURHKKLOAA-RKDXNWHRSA-N 0 0 195.266 1.356 10 0 ADAERN CC[C@H](O)[C@@H](C)Nc1ncc(C)cn1 306887443 345683892 /nfs/dbraw/zinc/68/38/92/345683892.db2.gz UMANFURHKKLOAA-BDAKNGLRSA-N 0 0 195.266 1.356 10 0 ADAERN O=CNC[C@H]1CCCCC1(F)F 306887656 345683900 /nfs/dbraw/zinc/68/39/00/345683900.db2.gz USNYDXKOANFDES-SSDOTTSWSA-N 0 0 177.194 1.558 10 0 ADAERN C[C@H](CC1(C)CC1)NN 306887260 345683960 /nfs/dbraw/zinc/68/39/60/345683960.db2.gz QKSAXRCGIOJWDF-ZCFIWIBFSA-N 0 0 128.219 1.028 10 0 ADAERN OC[C@H]1C[C@H]1Nc1ccc(Cl)cn1 306887702 345683944 /nfs/dbraw/zinc/68/39/44/345683944.db2.gz UWTUHPXRYWEWOB-HTRCEHHLSA-N 0 0 198.653 1.528 10 0 ADAERN C[C@@H](CC1(C)CC1)NN 306887259 345684061 /nfs/dbraw/zinc/68/40/61/345684061.db2.gz QKSAXRCGIOJWDF-LURJTMIESA-N 0 0 128.219 1.028 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)c1cn(C)cn1 306888114 345684523 /nfs/dbraw/zinc/68/45/23/345684523.db2.gz RLYHCNRAYPVYAN-ZXFLCMHBSA-N 0 0 166.224 1.110 10 0 ADAERN CC(C)(C)c1nc(C=O)cc(=O)[nH]1 306888256 345684583 /nfs/dbraw/zinc/68/45/83/345684583.db2.gz RSZGXJBMGVZHFS-UHFFFAOYSA-N 0 0 180.207 1.292 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1cn(C)cn1 306888111 345684685 /nfs/dbraw/zinc/68/46/85/345684685.db2.gz RLYHCNRAYPVYAN-BHNWBGBOSA-N 0 0 166.224 1.110 10 0 ADAERN O=C([C@H]1C=CCCC1)N1CC(F)C1 306887944 345684697 /nfs/dbraw/zinc/68/46/97/345684697.db2.gz VGMMVLIJIAXHEL-QMMMGPOBSA-N 0 0 183.226 1.523 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1cn(C)cn1 306888113 345684740 /nfs/dbraw/zinc/68/47/40/345684740.db2.gz RLYHCNRAYPVYAN-FJXKBIBVSA-N 0 0 166.224 1.110 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)c1cn(C)cn1 306888112 345684757 /nfs/dbraw/zinc/68/47/57/345684757.db2.gz RLYHCNRAYPVYAN-BKPPORCPSA-N 0 0 166.224 1.110 10 0 ADAERN C=C(Cl)C(=O)NC1(C)CCC1 306888264 345684792 /nfs/dbraw/zinc/68/47/92/345684792.db2.gz RTIKJBYPDKCVJN-UHFFFAOYSA-N 0 0 173.643 1.798 10 0 ADAERN O=C([C@@H]1C=CCCC1)N1CC(F)C1 306887943 345684815 /nfs/dbraw/zinc/68/48/15/345684815.db2.gz VGMMVLIJIAXHEL-MRVPVSSYSA-N 0 0 183.226 1.523 10 0 ADAERN c1csc(CCN2CCOCC2)n1 306888401 345684862 /nfs/dbraw/zinc/68/48/62/345684862.db2.gz WAJYSAZRVRVLBA-UHFFFAOYSA-N 0 0 198.291 1.018 10 0 ADAERN CC/C=C/C(=O)Nc1cnn(C)c1 306888399 345684867 /nfs/dbraw/zinc/68/48/67/345684867.db2.gz VZQZCWJIWAXSRD-SNAWJCMRSA-N 0 0 179.223 1.325 10 0 ADAERN O=C(C1=CCCO1)N1CCCCC1 306888382 345684937 /nfs/dbraw/zinc/68/49/37/345684937.db2.gz VXTZZDMOQHWQKQ-UHFFFAOYSA-N 0 0 181.235 1.303 10 0 ADAERN CC(C)C[C@@H]1[C@@H](C)NC(=O)[C@@H]1C 306888896 345685423 /nfs/dbraw/zinc/68/54/23/345685423.db2.gz SHXXSSKCFAGJSS-HLTSFMKQSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)C[C@@H]1[C@H](C)NC(=O)[C@H]1C 306888895 345685463 /nfs/dbraw/zinc/68/54/63/345685463.db2.gz SHXXSSKCFAGJSS-CIUDSAMLSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)C[C@@H]1[C@H](C)NC(=O)[C@@H]1C 306888897 345685495 /nfs/dbraw/zinc/68/54/95/345685495.db2.gz SHXXSSKCFAGJSS-VGMNWLOBSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)C[C@H]1[C@H](C)C(=O)N[C@@H]1C 306888898 345685575 /nfs/dbraw/zinc/68/55/75/345685575.db2.gz SHXXSSKCFAGJSS-YIZRAAEISA-N 0 0 169.268 1.803 10 0 ADAERN C[C@H](Nc1cccc(F)c1N)[C@@H](C)O 306889640 345685817 /nfs/dbraw/zinc/68/58/17/345685817.db2.gz XMQVUJRENBPUFY-NKWVEPMBSA-N 0 0 198.241 1.589 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1cccc(F)c1N 306889642 345685836 /nfs/dbraw/zinc/68/58/36/345685836.db2.gz XMQVUJRENBPUFY-RQJHMYQMSA-N 0 0 198.241 1.589 10 0 ADAERN O=C([O-])CC[N@@H+]1C[C@H]2CCCC[C@@H]21 306889690 345685887 /nfs/dbraw/zinc/68/58/87/345685887.db2.gz XQOHFTNJMAEAIC-BDAKNGLRSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H](NC(=O)C(F)F)C(F)F 306889736 345685899 /nfs/dbraw/zinc/68/58/99/345685899.db2.gz XVIHJTCZBFRPCO-REOHCLBHSA-N 0 0 173.109 1.021 10 0 ADAERN C[C@@H](Nc1cccnc1N)C(F)F 306889086 345686008 /nfs/dbraw/zinc/68/60/08/345686008.db2.gz WYRXDTRUIZUFQV-RXMQYKEDSA-N 0 0 187.193 1.729 10 0 ADAERN C[C@H](O)[C@H](C)Nc1cccc(F)c1N 306889639 345686016 /nfs/dbraw/zinc/68/60/16/345686016.db2.gz XMQVUJRENBPUFY-BQBZGAKWSA-N 0 0 198.241 1.589 10 0 ADAERN C[C@H](Nc1cccnc1N)C(F)F 306889087 345686091 /nfs/dbraw/zinc/68/60/91/345686091.db2.gz WYRXDTRUIZUFQV-YFKPBYRVSA-N 0 0 187.193 1.729 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1cccc(F)c1N 306889641 345686196 /nfs/dbraw/zinc/68/61/96/345686196.db2.gz XMQVUJRENBPUFY-RNFRBKRXSA-N 0 0 198.241 1.589 10 0 ADAERN O=C([O-])CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 306889692 345686214 /nfs/dbraw/zinc/68/62/14/345686214.db2.gz XQOHFTNJMAEAIC-IUCAKERBSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@@H](NC(=O)C(F)F)C(F)F 306889737 345686231 /nfs/dbraw/zinc/68/62/31/345686231.db2.gz XVIHJTCZBFRPCO-UWTATZPHSA-N 0 0 173.109 1.021 10 0 ADAERN O=C([O-])CC[N@@H+]1C[C@@H]2CCCC[C@H]21 306889691 345686270 /nfs/dbraw/zinc/68/62/70/345686270.db2.gz XQOHFTNJMAEAIC-DTWKUNHWSA-N 0 0 183.251 1.336 10 0 ADAERN O=C1CCN([C@H]2CC23CCCC3)C1 306890101 345686582 /nfs/dbraw/zinc/68/65/82/345686582.db2.gz YJYFDEAFOMWVFA-JTQLQIEISA-N 0 0 179.263 1.594 10 0 ADAERN Clc1cnc(-c2cnccn2)cn1 306890211 345686663 /nfs/dbraw/zinc/68/66/63/345686663.db2.gz UZNFQUSVNVWQIH-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN C1=C(CNc2nccs2)CCOC1 306889948 345686680 /nfs/dbraw/zinc/68/66/80/345686680.db2.gz UNDFOEPCEUGJLE-UHFFFAOYSA-N 0 0 196.275 1.902 10 0 ADAERN 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184.174 1.007 10 0 ADAERN COC(=O)Nc1cnccc1Cl 306891115 345687736 /nfs/dbraw/zinc/68/77/36/345687736.db2.gz ZVBCOUQYAPTJTO-UHFFFAOYSA-N 0 0 186.598 1.913 10 0 ADAERN C[N@@H+]1CCC[C@@H]1Cn1ccc(C=O)c1 306891180 345687850 /nfs/dbraw/zinc/68/78/50/345687850.db2.gz ZZXXRTOGMPZHNV-LLVKDONJSA-N 0 0 192.262 1.395 10 0 ADAERN C[N@@H+]1CCC[C@H]1Cn1ccc(C=O)c1 306891181 345687911 /nfs/dbraw/zinc/68/79/11/345687911.db2.gz ZZXXRTOGMPZHNV-NSHDSACASA-N 0 0 192.262 1.395 10 0 ADAERN COC(=O)Cc1cc(O)cc(C)c1C 306891310 345687946 /nfs/dbraw/zinc/68/79/46/345687946.db2.gz HGORRISZHAQSET-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN CC1CC([NH+]2CC(C)(C(=O)[O-])C2)C1 306892260 345688246 /nfs/dbraw/zinc/68/82/46/345688246.db2.gz XMTCNEYSYMFFQR-UHFFFAOYSA-N 0 0 183.251 1.191 10 0 ADAERN C=C(Cl)C(=O)NCC(F)(F)F 306892205 345688268 /nfs/dbraw/zinc/68/82/68/345688268.db2.gz XJSNXRNIGGKUKR-UHFFFAOYSA-N 0 0 187.548 1.417 10 0 ADAERN N[C@H](c1cscn1)c1ccns1 306893506 345688587 /nfs/dbraw/zinc/68/85/87/345688587.db2.gz 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C[C@@H]1CCC[C@]2(CNC(=O)[C@@H]2C)C1 306894886 345689357 /nfs/dbraw/zinc/68/93/57/345689357.db2.gz ZLTPRQOXHDJKRR-WCABBAIRSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]12CCC[C@@H](C)C2 306894884 345689460 /nfs/dbraw/zinc/68/94/60/345689460.db2.gz ZLTPRQOXHDJKRR-KKZNHRDASA-N 0 0 181.279 1.949 10 0 ADAERN CCc1c([C@@]2(C)C[C@@H]2F)noc1N 306896737 345689732 /nfs/dbraw/zinc/68/97/32/345689732.db2.gz QOYOVFLHUCHIDM-RCOVLWMOSA-N 0 0 184.214 1.819 10 0 ADAERN CCc1c([C@@]2(C)C[C@H]2F)noc1N 306896736 345689737 /nfs/dbraw/zinc/68/97/37/345689737.db2.gz QOYOVFLHUCHIDM-MUWHJKNJSA-N 0 0 184.214 1.819 10 0 ADAERN CCc1c([C@]2(C)C[C@@H]2F)noc1N 306896735 345689743 /nfs/dbraw/zinc/68/97/43/345689743.db2.gz QOYOVFLHUCHIDM-IMTBSYHQSA-N 0 0 184.214 1.819 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCC[C@H]1C 306896549 345689748 /nfs/dbraw/zinc/68/97/48/345689748.db2.gz QCKRWYIMYHOGMO-ZYUZMQFOSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1C 306896548 345689762 /nfs/dbraw/zinc/68/97/62/345689762.db2.gz QCKRWYIMYHOGMO-SGIHWFKDSA-N 0 0 181.279 1.947 10 0 ADAERN CNc1ncc(N)cc1C(F)(F)F 306896437 345689772 /nfs/dbraw/zinc/68/97/72/345689772.db2.gz PTKZRAQPECYUIR-UHFFFAOYSA-N 0 0 191.156 1.724 10 0 ADAERN CCc1c([C@]2(C)C[C@H]2F)noc1N 306896734 345689782 /nfs/dbraw/zinc/68/97/82/345689782.db2.gz QOYOVFLHUCHIDM-HZGVNTEJSA-N 0 0 184.214 1.819 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]1C 306896547 345689935 /nfs/dbraw/zinc/68/99/35/345689935.db2.gz QCKRWYIMYHOGMO-QCLAVDOMSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1c(C2(C)CC2)noc1N 306898333 345690167 /nfs/dbraw/zinc/69/01/67/345690167.db2.gz WWVAWIIAVJGEKQ-UHFFFAOYSA-N 0 0 152.197 1.617 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2NC(=O)C2(C)C)O1 306897169 345690295 /nfs/dbraw/zinc/69/02/95/345690295.db2.gz SFHTXXGGCLAHEO-PRJMDXOYSA-N 0 0 183.251 1.079 10 0 ADAERN C[C@@H]1CCSC2(CSC2)N1 306897902 345690305 /nfs/dbraw/zinc/69/03/05/345690305.db2.gz VLYWEHKRDIMLEL-ZCFIWIBFSA-N 0 0 175.322 1.545 10 0 ADAERN 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MJKFCJFBCMODDQ-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]12CC[C@H]2C 306900355 345691201 /nfs/dbraw/zinc/69/12/01/345691201.db2.gz FIOGMCSFZARRRA-ZXFLCMHBSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@@H]1C(=O)NC[C@]1(C)c1ccsc1 306899990 345691243 /nfs/dbraw/zinc/69/12/43/345691243.db2.gz DZVRWMJRBRVNIO-XCBNKYQSSA-N 0 0 195.287 1.772 10 0 ADAERN C[C@@H]1CC[C@@]12CNC(=O)[C@@H]2C 306900351 345691266 /nfs/dbraw/zinc/69/12/66/345691266.db2.gz FIOGMCSFZARRRA-BKPPORCPSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@@H]1CC[C@]12CNC(=O)[C@@H]2C 306900353 345691300 /nfs/dbraw/zinc/69/13/00/345691300.db2.gz FIOGMCSFZARRRA-FJXKBIBVSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]1(C)c1ccsc1 306899988 345691344 /nfs/dbraw/zinc/69/13/44/345691344.db2.gz DZVRWMJRBRVNIO-GMSGAONNSA-N 0 0 195.287 1.772 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CC[C@H]2C 306900349 345691394 /nfs/dbraw/zinc/69/13/94/345691394.db2.gz FIOGMCSFZARRRA-BHNWBGBOSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@H]1C(=O)NC[C@]1(C)c1ccsc1 306899991 345691403 /nfs/dbraw/zinc/69/14/03/345691403.db2.gz DZVRWMJRBRVNIO-XVKPBYJWSA-N 0 0 195.287 1.772 10 0 ADAERN Cc1ccsc1-c1noc(C=O)n1 306900110 345691408 /nfs/dbraw/zinc/69/14/08/345691408.db2.gz KWACPCCKYZCZBO-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN N[C@@H](c1ccns1)C(F)F 306900273 345691522 /nfs/dbraw/zinc/69/15/22/345691522.db2.gz FHLAJWAPTKGKEC-BYPYZUCNSA-N 0 0 164.180 1.408 10 0 ADAERN CC(C)(F)C(=O)C1CC1 306901585 345691912 /nfs/dbraw/zinc/69/19/12/345691912.db2.gz ORMDFZRZEYOIII-UHFFFAOYSA-N 0 0 130.162 1.714 10 0 ADAERN Nc1cnc(-c2ccsn2)cn1 306902154 345691935 /nfs/dbraw/zinc/69/19/35/345691935.db2.gz PPMUTSRWHJKNRX-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CN(C)C(=O)NC1CC(C)(C)C1 306901544 345691944 /nfs/dbraw/zinc/69/19/44/345691944.db2.gz OLONOSGCJQNKDS-UHFFFAOYSA-N 0 0 170.256 1.446 10 0 ADAERN COC(C)(C)C(=O)c1ccc[nH]1 306901684 345691947 /nfs/dbraw/zinc/69/19/47/345691947.db2.gz GUGSLQVTJMLTEZ-UHFFFAOYSA-N 0 0 167.208 1.622 10 0 ADAERN COc1cncc(Cl)c1CO 306902200 345692039 /nfs/dbraw/zinc/69/20/39/345692039.db2.gz PWNWTYIQFSFXRS-UHFFFAOYSA-N 0 0 173.599 1.236 10 0 ADAERN CC(C)C1(Nc2cnnn2C)CC1 306902197 345692133 /nfs/dbraw/zinc/69/21/33/345692133.db2.gz PVZLUCYNGDXYNH-UHFFFAOYSA-N 0 0 180.255 1.416 10 0 ADAERN COC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 306901846 345692180 /nfs/dbraw/zinc/69/21/80/345692180.db2.gz HCCYICJMCVASPY-KVSKUHBBSA-N 0 0 155.197 1.141 10 0 ADAERN CCC1(n2cnc(N)n2)CCC1 306902116 345692192 /nfs/dbraw/zinc/69/21/92/345692192.db2.gz HPJKFAMLADDNMJ-UHFFFAOYSA-N 0 0 166.228 1.150 10 0 ADAERN C[C@H]1CSC(N[C@H](C)C(F)F)=N1 306986234 345735226 /nfs/dbraw/zinc/73/52/26/345735226.db2.gz XHIOQLYDMJQESW-CRCLSJGQSA-N 0 0 194.250 1.721 10 0 ADAERN COc1c(F)cc(F)nc1F 306987924 345736390 /nfs/dbraw/zinc/73/63/90/345736390.db2.gz ZQTGSKCTLBYAAQ-UHFFFAOYSA-N 0 0 163.098 1.508 10 0 ADAERN COc1ncc(F)c(F)c1F 306903221 345692506 /nfs/dbraw/zinc/69/25/06/345692506.db2.gz RSQCMYXDRBELST-UHFFFAOYSA-N 0 0 163.098 1.508 10 0 ADAERN C[C@H](NC1=NCCS1)C(F)(F)F 306903001 345692520 /nfs/dbraw/zinc/69/25/20/345692520.db2.gz ROBOWZSZUTYFIX-BYPYZUCNSA-N 0 0 198.213 1.630 10 0 ADAERN C[C@@H](NC1=NCCS1)C(F)(F)F 306903002 345692541 /nfs/dbraw/zinc/69/25/41/345692541.db2.gz ROBOWZSZUTYFIX-SCSAIBSYSA-N 0 0 198.213 1.630 10 0 ADAERN Cc1cc2c(c(F)c1F)OCC2=O 306903283 345692631 /nfs/dbraw/zinc/69/26/31/345692631.db2.gz SAPDYYDDIBXTPI-UHFFFAOYSA-N 0 0 184.141 1.848 10 0 ADAERN Cc1cc(=O)[nH]nc1C(C)(C)C 306903474 345692698 /nfs/dbraw/zinc/69/26/98/345692698.db2.gz SCNGQZAWSOVEPI-UHFFFAOYSA-N 0 0 166.224 1.376 10 0 ADAERN Cc1nc([C@H](C)n2cccc2)n[nH]1 306904137 345692982 /nfs/dbraw/zinc/69/29/82/345692982.db2.gz TTWQNHAFBGABDA-ZETCQYMHSA-N 0 0 176.223 1.524 10 0 ADAERN Cc1nc([C@@H](C)n2cccc2)n[nH]1 306904136 345693208 /nfs/dbraw/zinc/69/32/08/345693208.db2.gz TTWQNHAFBGABDA-SSDOTTSWSA-N 0 0 176.223 1.524 10 0 ADAERN Nc1cnc(N2C3CCC2CC3)s1 306904754 345693233 /nfs/dbraw/zinc/69/32/33/345693233.db2.gz KIZFBUBKAPDJLW-UHFFFAOYSA-N 0 0 195.291 1.857 10 0 ADAERN CS(C)(=O)=NCc1ccccc1N 306904238 345693344 /nfs/dbraw/zinc/69/33/44/345693344.db2.gz JQYCKALZDXZLLO-UHFFFAOYSA-N 0 0 198.291 1.496 10 0 ADAERN C[C@H]1CC(c2ccnn2C)=C[C@@H](O)C1 306905732 345693543 /nfs/dbraw/zinc/69/35/43/345693543.db2.gz XSAVRKHLHMTURG-WPRPVWTQSA-N 0 0 192.262 1.594 10 0 ADAERN Nc1cc(-c2ccns2)ccn1 306905589 345693595 /nfs/dbraw/zinc/69/35/95/345693595.db2.gz LISYMWBYVOTYSA-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN C[C@H]1CC(c2ccnn2C)=C[C@H](O)C1 306905731 345693688 /nfs/dbraw/zinc/69/36/88/345693688.db2.gz XSAVRKHLHMTURG-WCBMZHEXSA-N 0 0 192.262 1.594 10 0 ADAERN C[C@@H]1CC(c2ccnn2C)=C[C@H](O)C1 306905729 345693726 /nfs/dbraw/zinc/69/37/26/345693726.db2.gz XSAVRKHLHMTURG-PSASIEDQSA-N 0 0 192.262 1.594 10 0 ADAERN Nc1cc(F)c[nH]c1=S 306905358 345693781 /nfs/dbraw/zinc/69/37/81/345693781.db2.gz KYNFFAWHWUGTDV-UHFFFAOYSA-N 0 0 144.174 1.092 10 0 ADAERN C[C@@H](n1nc(N)nc1N)C(C)(C)C 306906394 345693864 /nfs/dbraw/zinc/69/38/64/345693864.db2.gz MGHRXCKITGNTRK-RXMQYKEDSA-N 0 0 183.259 1.050 10 0 ADAERN C[C@@H]1CC(c2ccnn2C)=C[C@@H](O)C1 306905730 345693875 /nfs/dbraw/zinc/69/38/75/345693875.db2.gz XSAVRKHLHMTURG-SCZZXKLOSA-N 0 0 192.262 1.594 10 0 ADAERN C[C@H](n1nc(N)nc1N)C(C)(C)C 306906395 345694081 /nfs/dbraw/zinc/69/40/81/345694081.db2.gz MGHRXCKITGNTRK-YFKPBYRVSA-N 0 0 183.259 1.050 10 0 ADAERN O=C1CC[C@H](n2cccc2)CCN1 306907298 345694099 /nfs/dbraw/zinc/69/40/99/345694099.db2.gz DLVMLSUMOXNYRW-VIFPVBQESA-N 0 0 178.235 1.329 10 0 ADAERN O=C1CC[C@@H](n2cccc2)CCN1 306907295 345694314 /nfs/dbraw/zinc/69/43/14/345694314.db2.gz DLVMLSUMOXNYRW-SECBINFHSA-N 0 0 178.235 1.329 10 0 ADAERN Clc1nc(-c2csnn2)no1 306907446 345694350 /nfs/dbraw/zinc/69/43/50/345694350.db2.gz CXZXSMUJVHUYRV-UHFFFAOYSA-N 0 0 188.599 1.242 10 0 ADAERN Clc1nnc(-c2ccncn2)o1 306906783 345694460 /nfs/dbraw/zinc/69/44/60/345694460.db2.gz ZZENCSBAUPQAPP-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN CN1CCCNc2cc(F)cnc21 306909381 345694748 /nfs/dbraw/zinc/69/47/48/345694748.db2.gz OVDIIHOGGBJEGV-UHFFFAOYSA-N 0 0 181.214 1.473 10 0 ADAERN Cn1cnc(C(=O)[C@@]2(C)C[C@H]2F)c1 306910806 345694767 /nfs/dbraw/zinc/69/47/67/345694767.db2.gz QBBJEXDDNKUURE-APPZFPTMSA-N 0 0 182.198 1.351 10 0 ADAERN CCC(=O)Cc1cnsn1 306910682 345694859 /nfs/dbraw/zinc/69/48/59/345694859.db2.gz PWMMTOORGWAGNB-UHFFFAOYSA-N 0 0 156.210 1.060 10 0 ADAERN Cn1cnc(C(=O)[C@@]2(C)C[C@@H]2F)c1 306910808 345694868 /nfs/dbraw/zinc/69/48/68/345694868.db2.gz QBBJEXDDNKUURE-CBAPKCEASA-N 0 0 182.198 1.351 10 0 ADAERN Cn1cnc(C(=O)[C@]2(C)C[C@@H]2F)c1 306910809 345694989 /nfs/dbraw/zinc/69/49/89/345694989.db2.gz QBBJEXDDNKUURE-IONNQARKSA-N 0 0 182.198 1.351 10 0 ADAERN Cc1nn(C)c(N)c1-c1ccns1 306910721 345695048 /nfs/dbraw/zinc/69/50/48/345695048.db2.gz PYWPLOBQANQYOH-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN O=C(c1ccns1)C(F)F 306910066 345695101 /nfs/dbraw/zinc/69/51/01/345695101.db2.gz PEMKJEOHXQUCNS-UHFFFAOYSA-N 0 0 163.148 1.591 10 0 ADAERN COC(=O)c1onc(C)c1Cl 307002820 345744969 /nfs/dbraw/zinc/74/49/69/345744969.db2.gz IMEHSAJVJXQICF-UHFFFAOYSA-N 0 0 175.571 1.423 10 0 ADAERN Clc1nnc(C[C@H]2CCOC2)o1 306910943 345695323 /nfs/dbraw/zinc/69/53/23/345695323.db2.gz QDSNRJQXEPBASF-RXMQYKEDSA-N 0 0 188.614 1.302 10 0 ADAERN Clc1nnc(C[C@@H]2CCOC2)o1 306910944 345695329 /nfs/dbraw/zinc/69/53/29/345695329.db2.gz QDSNRJQXEPBASF-YFKPBYRVSA-N 0 0 188.614 1.302 10 0 ADAERN Cn1cnc(C(=O)[C@]2(C)C[C@H]2F)c1 306910811 345695374 /nfs/dbraw/zinc/69/53/74/345695374.db2.gz QBBJEXDDNKUURE-VXNVDRBHSA-N 0 0 182.198 1.351 10 0 ADAERN Nc1cncc(CO)c1C(F)(F)F 306911544 345695494 /nfs/dbraw/zinc/69/54/94/345695494.db2.gz KXXXSCNBDIKJBI-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN NNc1ccnc(-c2ccns2)c1 306911820 345695510 /nfs/dbraw/zinc/69/55/10/345695510.db2.gz RHXHHEHAQDYPTA-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN COc1cc(F)c(OC)c(C=O)c1 306911462 345695616 /nfs/dbraw/zinc/69/56/16/345695616.db2.gz KWMIAHUUGALUEH-UHFFFAOYSA-N 0 0 184.166 1.655 10 0 ADAERN Cc1cnc(N2CC(C)(C)C2)c(N)c1 306913378 345695910 /nfs/dbraw/zinc/69/59/10/345695910.db2.gz SYQNYYXWEFWRLP-UHFFFAOYSA-N 0 0 191.278 1.818 10 0 ADAERN C[C@@H]1C(=O)NC[C@]1(C)c1cccs1 306913793 345696021 /nfs/dbraw/zinc/69/60/21/345696021.db2.gz UEPXPUGTYSURSO-XCBNKYQSSA-N 0 0 195.287 1.772 10 0 ADAERN CCC(C)(C)/C=C1/CC(=O)NC1=O 306914300 345696428 /nfs/dbraw/zinc/69/64/28/345696428.db2.gz REBBLFXSOFGIAQ-SREVYHEPSA-N 0 0 181.235 1.396 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@H]([NH3+])c1ccns1 306914022 345696443 /nfs/dbraw/zinc/69/64/43/345696443.db2.gz UQFNPEWZDWROCQ-VDAHYXPESA-N 0 0 198.291 1.568 10 0 ADAERN CC(=O)CCc1cnsn1 306915037 345696498 /nfs/dbraw/zinc/69/64/98/345696498.db2.gz VICONYWWDFJDMI-UHFFFAOYSA-N 0 0 156.210 1.060 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@H]([NH3+])c1ccns1 306914021 345696503 /nfs/dbraw/zinc/69/65/03/345696503.db2.gz UQFNPEWZDWROCQ-FTLITQJKSA-N 0 0 198.291 1.568 10 0 ADAERN C[C@@H]1CCO[C@@H]1[C@@H]([NH3+])c1ccns1 306914023 345696544 /nfs/dbraw/zinc/69/65/44/345696544.db2.gz UQFNPEWZDWROCQ-YEPSODPASA-N 0 0 198.291 1.568 10 0 ADAERN C[C@@H]1CCO[C@H]1[C@@H]([NH3+])c1ccns1 306914020 345696584 /nfs/dbraw/zinc/69/65/84/345696584.db2.gz UQFNPEWZDWROCQ-BWVDBABLSA-N 0 0 198.291 1.568 10 0 ADAERN Cc1ccc([C@@H]([NH3+])C(C)(C)C)nn1 306914369 345696606 /nfs/dbraw/zinc/69/66/06/345696606.db2.gz RLSORGMENVWACC-SECBINFHSA-N 0 0 179.267 1.831 10 0 ADAERN Cc1ccc([C@H]([NH3+])C(C)(C)C)nn1 306914371 345696638 /nfs/dbraw/zinc/69/66/38/345696638.db2.gz RLSORGMENVWACC-VIFPVBQESA-N 0 0 179.267 1.831 10 0 ADAERN Cc1nc(C(=N)NC(C)(C)C)co1 306915611 345696978 /nfs/dbraw/zinc/69/69/78/345696978.db2.gz WAAANDVAGBTAQQ-UHFFFAOYSA-N 0 0 181.239 1.696 10 0 ADAERN CCCC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 306915357 345697045 /nfs/dbraw/zinc/69/70/45/345697045.db2.gz VSXTYNXLAALRBD-AYMMMOKOSA-N 0 0 167.252 1.701 10 0 ADAERN Nc1cncc(N)c1C(F)(F)F 306917592 345697458 /nfs/dbraw/zinc/69/74/58/345697458.db2.gz ZPYOGLHZANZUAW-UHFFFAOYSA-N 0 0 177.129 1.265 10 0 ADAERN Cc1ccc(N[C@@H](C)[C@H](C)O)nc1 306918896 345697872 /nfs/dbraw/zinc/69/78/72/345697872.db2.gz DEOCJISEXRYYFZ-IUCAKERBSA-N 0 0 180.251 1.571 10 0 ADAERN Cc1ccc(N[C@H](C)[C@@H](C)O)nc1 306918897 345697880 /nfs/dbraw/zinc/69/78/80/345697880.db2.gz DEOCJISEXRYYFZ-RKDXNWHRSA-N 0 0 180.251 1.571 10 0 ADAERN Fc1cnc2c(c1)NCCC1(CC1)N2 306918870 345697884 /nfs/dbraw/zinc/69/78/84/345697884.db2.gz AVEYRKOBTSKOSF-UHFFFAOYSA-N 0 0 193.225 1.981 10 0 ADAERN CCC(=O)O[C@@]1(C)C[C@H]1C 306918911 345697893 /nfs/dbraw/zinc/69/78/93/345697893.db2.gz DGJLFZVBFZQDHN-SVRRBLITSA-N 0 0 142.198 1.738 10 0 ADAERN Cc1ccc([C@H](CO)NO)c(C)c1 306918857 345697894 /nfs/dbraw/zinc/69/78/94/345697894.db2.gz ATRIYGILYDCCRG-JTQLQIEISA-N 0 0 181.235 1.316 10 0 ADAERN COC1CN(c2cc(N)cc(F)c2)C1 306918638 345697954 /nfs/dbraw/zinc/69/79/54/345697954.db2.gz IMOLDJGOUACFRQ-UHFFFAOYSA-N 0 0 196.225 1.243 10 0 ADAERN Cc1ccc(N[C@@H](C)[C@@H](C)O)nc1 306918895 345697958 /nfs/dbraw/zinc/69/79/58/345697958.db2.gz DEOCJISEXRYYFZ-DTWKUNHWSA-N 0 0 180.251 1.571 10 0 ADAERN CC(C)(CO)Sc1ncccn1 306918551 345697998 /nfs/dbraw/zinc/69/79/98/345697998.db2.gz IJFHIOBXFKDALE-UHFFFAOYSA-N 0 0 184.264 1.340 10 0 ADAERN CCC(=O)O[C@]1(C)C[C@H]1C 306918909 345698008 /nfs/dbraw/zinc/69/80/08/345698008.db2.gz DGJLFZVBFZQDHN-HTRCEHHLSA-N 0 0 142.198 1.738 10 0 ADAERN CCC(=O)O[C@]1(C)C[C@@H]1C 306918910 345698027 /nfs/dbraw/zinc/69/80/27/345698027.db2.gz DGJLFZVBFZQDHN-POYBYMJQSA-N 0 0 142.198 1.738 10 0 ADAERN CCNC(=O)C1CC(C)C1 306918655 345698029 /nfs/dbraw/zinc/69/80/29/345698029.db2.gz CUCLWQGTQXZJGV-UHFFFAOYSA-N 0 0 141.214 1.169 10 0 ADAERN Cc1ccc(N[C@H](C)[C@H](C)O)nc1 306918894 345698077 /nfs/dbraw/zinc/69/80/77/345698077.db2.gz DEOCJISEXRYYFZ-BDAKNGLRSA-N 0 0 180.251 1.571 10 0 ADAERN O=c1ccc(NCC2CC2)c[nH]1 306918724 345698092 /nfs/dbraw/zinc/69/80/92/345698092.db2.gz IZCQDOUJVXIILM-UHFFFAOYSA-N 0 0 164.208 1.609 10 0 ADAERN Cn1cc(C(=O)CC2(C)CCC2)nn1 306919122 345698446 /nfs/dbraw/zinc/69/84/46/345698446.db2.gz AWWRLDROXKVYTQ-UHFFFAOYSA-N 0 0 193.250 1.578 10 0 ADAERN CCC(=O)O[C@@]1(C)C[C@@H]1C 306918912 345698520 /nfs/dbraw/zinc/69/85/20/345698520.db2.gz DGJLFZVBFZQDHN-XPUUQOCRSA-N 0 0 142.198 1.738 10 0 ADAERN OCc1cccc(NC2CSC2)c1 306919606 345698524 /nfs/dbraw/zinc/69/85/24/345698524.db2.gz DXAOYAUEUIXWIN-UHFFFAOYSA-N 0 0 195.287 1.706 10 0 ADAERN CC(C)[C@@H](C)c1ncc(N)cn1 306919404 345698649 /nfs/dbraw/zinc/69/86/49/345698649.db2.gz KFGGBFVPTMODCS-SSDOTTSWSA-N 0 0 165.240 1.818 10 0 ADAERN CC(C)[C@H](C)c1ncc(N)cn1 306919405 345698690 /nfs/dbraw/zinc/69/86/90/345698690.db2.gz KFGGBFVPTMODCS-ZETCQYMHSA-N 0 0 165.240 1.818 10 0 ADAERN C[C@](O)(c1ccsn1)[C@@H]1CCOC1 306919807 345698743 /nfs/dbraw/zinc/69/87/43/345698743.db2.gz KZSKTTZPVZAVIF-VXNVDRBHSA-N 0 0 199.275 1.387 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@@H]1CCSC1 306920305 345698774 /nfs/dbraw/zinc/69/87/74/345698774.db2.gz LYGFEACZLTZOIH-MRTMQBJTSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@H]1C[C@H](Sc2ncc[nH]2)C(=O)O1 306919858 345698829 /nfs/dbraw/zinc/69/88/29/345698829.db2.gz FEUDFWPWNKSFHP-WDSKDSINSA-N 0 0 198.247 1.206 10 0 ADAERN C[C@@](O)(c1ccsn1)[C@@H]1CCOC1 306919804 345698831 /nfs/dbraw/zinc/69/88/31/345698831.db2.gz KZSKTTZPVZAVIF-APPZFPTMSA-N 0 0 199.275 1.387 10 0 ADAERN C[C@@H]1C[C@H](Sc2ncc[nH]2)C(=O)O1 306919857 345698851 /nfs/dbraw/zinc/69/88/51/345698851.db2.gz FEUDFWPWNKSFHP-RITPCOANSA-N 0 0 198.247 1.206 10 0 ADAERN CCCC(=O)Nc1c[nH]nc1C 306919685 345698854 /nfs/dbraw/zinc/69/88/54/345698854.db2.gz FDLMDBLTSTYIGX-UHFFFAOYSA-N 0 0 167.212 1.457 10 0 ADAERN C[C@@](O)(c1ccsn1)[C@H]1CCOC1 306919805 345698884 /nfs/dbraw/zinc/69/88/84/345698884.db2.gz KZSKTTZPVZAVIF-CBAPKCEASA-N 0 0 199.275 1.387 10 0 ADAERN CCn1nccc1C(=O)C(C)(F)F 306920164 345698942 /nfs/dbraw/zinc/69/89/42/345698942.db2.gz BRAZEIWUFRXNPK-UHFFFAOYSA-N 0 0 188.177 1.741 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1[C@@H]1CCSC1 306920308 345698998 /nfs/dbraw/zinc/69/89/98/345698998.db2.gz LYGFEACZLTZOIH-WEDXCCLWSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@H]1C[C@@H](Sc2ncc[nH]2)C(=O)O1 306919711 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1.082 10 0 ADAERN CC1(C)CC[C@]2(COCC(=O)N2)C1 306967571 345724200 /nfs/dbraw/zinc/72/42/00/345724200.db2.gz GRLKAYXPHQVCQJ-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)N1CCCO1 306967266 345724239 /nfs/dbraw/zinc/72/42/39/345724239.db2.gz PPMILLOBLGJYRH-HTQZYQBOSA-N 0 0 184.239 1.132 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)Nc1nccs1 306967643 345724286 /nfs/dbraw/zinc/72/42/86/345724286.db2.gz PWDUJJOGPIAWFW-NTSWFWBYSA-N 0 0 197.263 1.673 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Nc1nccs1 306967672 345724316 /nfs/dbraw/zinc/72/43/16/345724316.db2.gz PWDUJJOGPIAWFW-WDSKDSINSA-N 0 0 197.263 1.673 10 0 ADAERN Nc1nc(-c2ccns2)ncc1F 306967820 345724318 /nfs/dbraw/zinc/72/43/18/345724318.db2.gz NNAVLTQHBFVRKB-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN COCCNc1ccc2n[nH]cc2c1 306967952 345724326 /nfs/dbraw/zinc/72/43/26/345724326.db2.gz HDLIDSARJPIURU-UHFFFAOYSA-N 0 0 191.234 1.621 10 0 ADAERN COc1nnc(NC2CC=CC2)s1 306967765 345724335 /nfs/dbraw/zinc/72/43/35/345724335.db2.gz QDTOHMCKYXBMMT-UHFFFAOYSA-N 0 0 197.263 1.677 10 0 ADAERN CC1(C)CC([C@@H]2CC(=O)NC2=O)C1 306967667 345724345 /nfs/dbraw/zinc/72/43/45/345724345.db2.gz GVFLIWMYFMWIFG-ZETCQYMHSA-N 0 0 181.235 1.085 10 0 ADAERN CC1(C)CC([C@H]2CC(=O)NC2=O)C1 306967665 345724350 /nfs/dbraw/zinc/72/43/50/345724350.db2.gz GVFLIWMYFMWIFG-SSDOTTSWSA-N 0 0 181.235 1.085 10 0 ADAERN C=C(Cl)C(=O)NC(C)(C)C 306967812 345724359 /nfs/dbraw/zinc/72/43/59/345724359.db2.gz NMISUADMQZCVPB-UHFFFAOYSA-N 0 0 161.632 1.654 10 0 ADAERN CC1(n2cnc(N)n2)CCCCC1 306968266 345724597 /nfs/dbraw/zinc/72/45/97/345724597.db2.gz HNHKZBDGIMMRMM-UHFFFAOYSA-N 0 0 180.255 1.540 10 0 ADAERN Cc1cnoc1NC(=O)NC1CC1 306968421 345724682 /nfs/dbraw/zinc/72/46/82/345724682.db2.gz QUCACIXXTPOIKF-UHFFFAOYSA-N 0 0 181.195 1.267 10 0 ADAERN CC(C)N1C(=O)CN[C@@]1(C)C(C)C 306968066 345724758 /nfs/dbraw/zinc/72/47/58/345724758.db2.gz QMQVSBJFABMYSY-SNVBAGLBSA-N 0 0 184.283 1.199 10 0 ADAERN Cc1cc(N2CC(C)C2)ncn1 306968848 345724807 /nfs/dbraw/zinc/72/48/07/345724807.db2.gz RFGWWCKZAUSVMV-UHFFFAOYSA-N 0 0 163.224 1.241 10 0 ADAERN CC(C)N1C(=O)CN[C@]1(C)C(C)C 306968060 345724965 /nfs/dbraw/zinc/72/49/65/345724965.db2.gz QMQVSBJFABMYSY-JTQLQIEISA-N 0 0 184.283 1.199 10 0 ADAERN CCC1(Nc2c(N)c(C)nn2C)CC1 306968479 345724976 /nfs/dbraw/zinc/72/49/76/345724976.db2.gz HRJROGGCWAFUME-UHFFFAOYSA-N 0 0 194.282 1.665 10 0 ADAERN CCn1c(=S)[nH]c2cc(F)cnc21 306968264 345725000 /nfs/dbraw/zinc/72/50/00/345725000.db2.gz HNBMMIBFTNDGDV-UHFFFAOYSA-N 0 0 197.238 1.879 10 0 ADAERN CCCC1(NC(N)=S)CC1 306968278 345725043 /nfs/dbraw/zinc/72/50/43/345725043.db2.gz HOFBFNUYMUKPRY-UHFFFAOYSA-N 0 0 158.270 1.152 10 0 ADAERN CC(C)C1(n2cnc(N)n2)CC1 306969099 345725268 /nfs/dbraw/zinc/72/52/68/345725268.db2.gz IEBAVNLEYLLZLG-UHFFFAOYSA-N 0 0 166.228 1.005 10 0 ADAERN CC(C)(C)C(C)(C)N1CCNC1=O 306970434 345725487 /nfs/dbraw/zinc/72/54/87/345725487.db2.gz UDRXJZAZDQRQLQ-UHFFFAOYSA-N 0 0 184.283 1.836 10 0 ADAERN c1csc(NCc2cnns2)n1 306970296 345725575 /nfs/dbraw/zinc/72/55/75/345725575.db2.gz QPHGJHIRPXFEJI-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@]12CC[C@H]1C[C@H]12 306970693 345725631 /nfs/dbraw/zinc/72/56/31/345725631.db2.gz RDPAIWBLZPGCJU-FBSDJGSXSA-N 0 0 193.246 1.085 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@]12CC[C@@H]1C[C@@H]12 306970694 345725699 /nfs/dbraw/zinc/72/56/99/345725699.db2.gz RDPAIWBLZPGCJU-HGIWHZBTSA-N 0 0 193.246 1.085 10 0 ADAERN CC(C)n1ccc(NC2CSC2)n1 306970686 345725753 /nfs/dbraw/zinc/72/57/53/345725753.db2.gz RDHVSXJNNBMINJ-UHFFFAOYSA-N 0 0 197.307 1.991 10 0 ADAERN O=C(c1ccnc(Cl)c1)N1CC1 306971709 345726076 /nfs/dbraw/zinc/72/60/76/345726076.db2.gz UZOKMTCRGPBFCC-UHFFFAOYSA-N 0 0 182.610 1.191 10 0 ADAERN C[C@@H](Nc1cccnn1)C(C)(C)O 306970752 345726166 /nfs/dbraw/zinc/72/61/66/345726166.db2.gz UJHGVQOEMVVAAQ-SSDOTTSWSA-N 0 0 181.239 1.048 10 0 ADAERN COc1c(NC(C)C)c(C)nn1C 306971817 345726366 /nfs/dbraw/zinc/72/63/66/345726366.db2.gz VFTSOIRYCYVSKG-UHFFFAOYSA-N 0 0 183.255 1.557 10 0 ADAERN CC1(C)CC(Nc2nc(N)ns2)C1 306970797 345726373 /nfs/dbraw/zinc/72/63/73/345726373.db2.gz JJRCCSFZPKVCHU-UHFFFAOYSA-N 0 0 198.295 1.721 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1nccs1 306971769 345726385 /nfs/dbraw/zinc/72/63/85/345726385.db2.gz VDDZSKAILNYLLT-ZCFIWIBFSA-N 0 0 196.275 1.671 10 0 ADAERN Cc1cc(NC(N)=O)c(C)cc1F 306970754 345726393 /nfs/dbraw/zinc/72/63/93/345726393.db2.gz UJKNSXMJQXSXNH-UHFFFAOYSA-N 0 0 182.198 1.933 10 0 ADAERN CC(C)(NC(N)=S)C1CCC1 306971868 345726396 /nfs/dbraw/zinc/72/63/96/345726396.db2.gz SVAHZFCFESMILE-UHFFFAOYSA-N 0 0 172.297 1.398 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@H]1CC 306972311 345726681 /nfs/dbraw/zinc/72/66/81/345726681.db2.gz KSBPVYDXSPLEHK-RNJXMRFFSA-N 0 0 155.241 1.557 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@@H]1CC 306972309 345726724 /nfs/dbraw/zinc/72/67/24/345726724.db2.gz KSBPVYDXSPLEHK-FXQIFTODSA-N 0 0 155.241 1.557 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@H]1CC 306972310 345726770 /nfs/dbraw/zinc/72/67/70/345726770.db2.gz KSBPVYDXSPLEHK-PRJMDXOYSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@@H]1CSC[C@@H]1Nc1ccncn1 306971897 345726789 /nfs/dbraw/zinc/72/67/89/345726789.db2.gz SYFWVRDJXJKZLD-SFYZADRCSA-N 0 0 195.291 1.640 10 0 ADAERN O=c1cnc(C2=CCCC2)c[nH]1 306971934 345726820 /nfs/dbraw/zinc/72/68/20/345726820.db2.gz TTZLEGRZLZPURT-UHFFFAOYSA-N 0 0 162.192 1.750 10 0 ADAERN C[C@H]1CSC[C@@H]1Nc1ccncn1 306971898 345726827 /nfs/dbraw/zinc/72/68/27/345726827.db2.gz SYFWVRDJXJKZLD-YUMQZZPRSA-N 0 0 195.291 1.640 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@@H]1CC 306972308 345726830 /nfs/dbraw/zinc/72/68/30/345726830.db2.gz KSBPVYDXSPLEHK-CSMHCCOUSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@H]1CSC[C@H]1Nc1ccncn1 306971896 345726862 /nfs/dbraw/zinc/72/68/62/345726862.db2.gz SYFWVRDJXJKZLD-JGVFFNPUSA-N 0 0 195.291 1.640 10 0 ADAERN S=C1N=NC(N2C[C@H]3C[C@H]3C2)S1 306971981 345726864 /nfs/dbraw/zinc/72/68/64/345726864.db2.gz KPRVLIDFTQACEK-SYDPRGILSA-N 0 0 199.304 1.283 10 0 ADAERN CN(C)C(=O)N[C@@H]1CC12CCCC2 306973808 345727086 /nfs/dbraw/zinc/72/70/86/345727086.db2.gz XKFLQJFUJDAXCU-MRVPVSSYSA-N 0 0 182.267 1.590 10 0 ADAERN CCC(=O)N[C@@H]1COC(C)(C)C1 306973028 345727101 /nfs/dbraw/zinc/72/71/01/345727101.db2.gz VDMBETUFGPLWPT-ZETCQYMHSA-N 0 0 171.240 1.080 10 0 ADAERN CSCC(=O)c1ccsn1 306972923 345727363 /nfs/dbraw/zinc/72/73/63/345727363.db2.gz WPZZZDBKUJACOY-UHFFFAOYSA-N 0 0 173.262 1.689 10 0 ADAERN C[C@H](Nc1ccncn1)C(F)F 306973216 345727134 /nfs/dbraw/zinc/72/71/34/345727134.db2.gz LIXJWWMWDGDYHG-YFKPBYRVSA-N 0 0 173.166 1.542 10 0 ADAERN C[C@@H](Nc1ccncn1)C(F)F 306973211 345727144 /nfs/dbraw/zinc/72/71/44/345727144.db2.gz LIXJWWMWDGDYHG-RXMQYKEDSA-N 0 0 173.166 1.542 10 0 ADAERN Cc1n[nH]cc1NC(=O)C1CCC1 306972841 345727167 /nfs/dbraw/zinc/72/71/67/345727167.db2.gz WINKDXNGSWSXFM-UHFFFAOYSA-N 0 0 179.223 1.457 10 0 ADAERN CCCc1sc(=O)[nH]c1C 306972870 345727177 /nfs/dbraw/zinc/72/71/77/345727177.db2.gz LGLTYIHIIHXYBN-UHFFFAOYSA-N 0 0 157.238 1.697 10 0 ADAERN Nc1nsc(N2CCC3(CC3)C2)n1 306972782 345727322 /nfs/dbraw/zinc/72/73/22/345727322.db2.gz UUOUKMQSMLMIGL-UHFFFAOYSA-N 0 0 196.279 1.111 10 0 ADAERN CN(C)C(=O)N[C@H]1CC12CCCC2 306973810 345727330 /nfs/dbraw/zinc/72/73/30/345727330.db2.gz XKFLQJFUJDAXCU-QMMMGPOBSA-N 0 0 182.267 1.590 10 0 ADAERN CCC(=O)N[C@H]1COC(C)(C)C1 306973027 345727359 /nfs/dbraw/zinc/72/73/59/345727359.db2.gz VDMBETUFGPLWPT-SSDOTTSWSA-N 0 0 171.240 1.080 10 0 ADAERN CCC1(N2CCCNC2=O)CC1 306973933 345727650 /nfs/dbraw/zinc/72/76/50/345727650.db2.gz LVECHFZTKLQACP-UHFFFAOYSA-N 0 0 168.240 1.344 10 0 ADAERN CN1CCNc2cc(F)cnc21 306974728 345727676 /nfs/dbraw/zinc/72/76/76/345727676.db2.gz XHAQINBRYRHCPN-UHFFFAOYSA-N 0 0 167.187 1.082 10 0 ADAERN O=C(NC1CC=CC1)C1(F)CCC1 306973885 345727698 /nfs/dbraw/zinc/72/76/98/345727698.db2.gz XQXBNVDRLVNTIZ-UHFFFAOYSA-N 0 0 183.226 1.713 10 0 ADAERN COC(C)(C)C(=O)N1C2CCC1CC2 306974435 345727723 /nfs/dbraw/zinc/72/77/23/345727723.db2.gz WSWODIGQZUMXOW-UHFFFAOYSA-N 0 0 197.278 1.565 10 0 ADAERN O=C(c1ccns1)[C@@H]1CCOC1 306975078 345728297 /nfs/dbraw/zinc/72/82/97/345728297.db2.gz MXOPRDHFBSADIG-ZCFIWIBFSA-N 0 0 183.232 1.362 10 0 ADAERN CNc1ccc(N2CC(C)C2)cn1 306974878 345728434 /nfs/dbraw/zinc/72/84/34/345728434.db2.gz YRCUNXIQHPQAKG-UHFFFAOYSA-N 0 0 177.251 1.579 10 0 ADAERN C[C@H](Nc1cnccn1)C(C)(F)F 306974846 345728448 /nfs/dbraw/zinc/72/84/48/345728448.db2.gz MWLKUUKGCCVNKT-LURJTMIESA-N 0 0 187.193 1.932 10 0 ADAERN CC[C@]1(C)C[C@H]1NC#N 306975180 345728453 /nfs/dbraw/zinc/72/84/53/345728453.db2.gz XZSWTDBDFYJXCN-RNFRBKRXSA-N 0 0 124.187 1.246 10 0 ADAERN CC(=O)[C@]1(C)C[C@@H]1F 306974855 345728510 /nfs/dbraw/zinc/72/85/10/345728510.db2.gz MWULWGTXXYMTKG-WDSKDSINSA-N 0 0 116.135 1.324 10 0 ADAERN CC[C@@]1(C)C[C@@H]1NC#N 306975178 345728537 /nfs/dbraw/zinc/72/85/37/345728537.db2.gz XZSWTDBDFYJXCN-BQBZGAKWSA-N 0 0 124.187 1.246 10 0 ADAERN CC[C@]1(C)C[C@@H]1NC#N 306975179 345728572 /nfs/dbraw/zinc/72/85/72/345728572.db2.gz XZSWTDBDFYJXCN-NKWVEPMBSA-N 0 0 124.187 1.246 10 0 ADAERN CC(=O)[C@@]1(C)C[C@H]1F 306974853 345728586 /nfs/dbraw/zinc/72/85/86/345728586.db2.gz MWULWGTXXYMTKG-PHDIDXHHSA-N 0 0 116.135 1.324 10 0 ADAERN C=C(Cl)C(=O)NCC1CC1 306975966 345728741 /nfs/dbraw/zinc/72/87/41/345728741.db2.gz YWUYJHRUQKIZEL-UHFFFAOYSA-N 0 0 159.616 1.265 10 0 ADAERN Cn1nccc1[C@H](O)C(C)(F)F 306976034 345729358 /nfs/dbraw/zinc/72/93/58/345729358.db2.gz ACYJNZTULLRBRX-LURJTMIESA-N 0 0 176.166 1.109 10 0 ADAERN Cc1ccc(C(=O)N2CC2)c(O)c1 306975995 345729403 /nfs/dbraw/zinc/72/94/03/345729403.db2.gz CEDFNLDEGRIGHQ-UHFFFAOYSA-N 0 0 177.203 1.156 10 0 ADAERN Cc1cscc1NC[C@@H](C)O 306976297 345729420 /nfs/dbraw/zinc/72/94/20/345729420.db2.gz AHNKQOAMDJVUFJ-SSDOTTSWSA-N 0 0 171.265 1.849 10 0 ADAERN Cc1cscc1NC[C@H](C)O 306976299 345729439 /nfs/dbraw/zinc/72/94/39/345729439.db2.gz AHNKQOAMDJVUFJ-ZETCQYMHSA-N 0 0 171.265 1.849 10 0 ADAERN Cn1nccc1[C@@H](O)C(C)(F)F 306976042 345729516 /nfs/dbraw/zinc/72/95/16/345729516.db2.gz ACYJNZTULLRBRX-ZCFIWIBFSA-N 0 0 176.166 1.109 10 0 ADAERN NC(=O)Oc1ccc(Cl)c(N)c1 306976276 345729624 /nfs/dbraw/zinc/72/96/24/345729624.db2.gz ARWCDBBHDYODHL-UHFFFAOYSA-N 0 0 186.598 1.380 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)ncc2[C@@H](C)O1 306977436 345730010 /nfs/dbraw/zinc/73/00/10/345730010.db2.gz ARKPMJZKJYLDMW-NTSWFWBYSA-N 0 0 180.207 1.204 10 0 ADAERN Cc1cscc1N1CCNC1=O 306977231 345730062 /nfs/dbraw/zinc/73/00/62/345730062.db2.gz AQNAWUOVWZLPRE-UHFFFAOYSA-N 0 0 182.248 1.586 10 0 ADAERN Cc1cnc(N)nc1[C@@H]1CC1(C)C 306977028 345730122 /nfs/dbraw/zinc/73/01/22/345730122.db2.gz ZDCHRVDZQZIPIP-ZETCQYMHSA-N 0 0 177.251 1.881 10 0 ADAERN C[C@@H]1Cc2[nH]c(=O)ncc2[C@@H](C)O1 306977440 345730125 /nfs/dbraw/zinc/73/01/25/345730125.db2.gz ARKPMJZKJYLDMW-PHDIDXHHSA-N 0 0 180.207 1.204 10 0 ADAERN O=C(c1occc1Cl)N1CCC1 306977212 345730168 /nfs/dbraw/zinc/73/01/68/345730168.db2.gz APVAYBJRDHTAPO-UHFFFAOYSA-N 0 0 185.610 1.779 10 0 ADAERN Cc1nnc(NC2(C)CC2)n1C 306976954 345730189 /nfs/dbraw/zinc/73/01/89/345730189.db2.gz CLYJCMATHFELHC-UHFFFAOYSA-N 0 0 166.228 1.088 10 0 ADAERN C[C@]1([C@@H](O)c2ccc[nH]2)C[C@H]1F 306977806 345730488 /nfs/dbraw/zinc/73/04/88/345730488.db2.gz DWNVKLIAHHBZMC-VGMNWLOBSA-N 0 0 169.199 1.796 10 0 ADAERN CC(C)=CC(=O)N(C)c1nncs1 306978167 345730497 /nfs/dbraw/zinc/73/04/97/345730497.db2.gz AVZGYYVAYZUQKQ-UHFFFAOYSA-N 0 0 197.263 1.467 10 0 ADAERN FC[C@@H](c1ccc[nH]1)N1CCOCC1 306978351 345730508 /nfs/dbraw/zinc/73/05/08/345730508.db2.gz OHFRKVPWUPCYDR-JTQLQIEISA-N 0 0 198.241 1.358 10 0 ADAERN C[C@]1([C@@H](O)c2ccc[nH]2)C[C@@H]1F 306977801 345730524 /nfs/dbraw/zinc/73/05/24/345730524.db2.gz DWNVKLIAHHBZMC-CIUDSAMLSA-N 0 0 169.199 1.796 10 0 ADAERN C[C@@H]1O[C@H](C)Cc2[nH]c(=O)ncc21 306977448 345730527 /nfs/dbraw/zinc/73/05/27/345730527.db2.gz ARKPMJZKJYLDMW-RITPCOANSA-N 0 0 180.207 1.204 10 0 ADAERN C[C@]1([C@H](O)c2ccc[nH]2)C[C@@H]1F 306977808 345730663 /nfs/dbraw/zinc/73/06/63/345730663.db2.gz DWNVKLIAHHBZMC-YIZRAAEISA-N 0 0 169.199 1.796 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)ncc2[C@H](C)O1 306977452 345730686 /nfs/dbraw/zinc/73/06/86/345730686.db2.gz ARKPMJZKJYLDMW-WDSKDSINSA-N 0 0 180.207 1.204 10 0 ADAERN C[C@]1([C@H](O)c2ccc[nH]2)C[C@H]1F 306977803 345730801 /nfs/dbraw/zinc/73/08/01/345730801.db2.gz DWNVKLIAHHBZMC-HLTSFMKQSA-N 0 0 169.199 1.796 10 0 ADAERN C[C@@H]1NCN([C@@H]2CC23CCCC3)C1=O 306979004 345731085 /nfs/dbraw/zinc/73/10/85/345731085.db2.gz BHPSOAXLBXZOND-DTWKUNHWSA-N 0 0 194.278 1.097 10 0 ADAERN CC(=O)c1cnnn1C1CCCC1 306978755 345731109 /nfs/dbraw/zinc/73/11/09/345731109.db2.gz DEQHLOKKBHOSTB-UHFFFAOYSA-N 0 0 179.223 1.596 10 0 ADAERN Nc1cncc(C(F)(F)F)c1CO 306978632 345731203 /nfs/dbraw/zinc/73/12/03/345731203.db2.gz OKQSTXKKURLTPN-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN Cc1ncsc1CCNC#N 306979048 345731247 /nfs/dbraw/zinc/73/12/47/345731247.db2.gz BLMOHMOWJCKABR-UHFFFAOYSA-N 0 0 167.237 1.065 10 0 ADAERN Nc1ncccc1Cc1ccc[nH]1 306978949 345731256 /nfs/dbraw/zinc/73/12/56/345731256.db2.gz CRRHMSQLFWKLBK-UHFFFAOYSA-N 0 0 173.219 1.583 10 0 ADAERN C[C@H]1NCN([C@H]2CC23CCCC3)C1=O 306979003 345731312 /nfs/dbraw/zinc/73/13/12/345731312.db2.gz BHPSOAXLBXZOND-BDAKNGLRSA-N 0 0 194.278 1.097 10 0 ADAERN C[C@H]1NCN([C@@H]2CC23CCCC3)C1=O 306979006 345731323 /nfs/dbraw/zinc/73/13/23/345731323.db2.gz BHPSOAXLBXZOND-RKDXNWHRSA-N 0 0 194.278 1.097 10 0 ADAERN C[C@@H]1NCN([C@H]2CC23CCCC3)C1=O 306979005 345731353 /nfs/dbraw/zinc/73/13/53/345731353.db2.gz BHPSOAXLBXZOND-IUCAKERBSA-N 0 0 194.278 1.097 10 0 ADAERN CCOCC(=O)C(C)(C)F 306979713 345731761 /nfs/dbraw/zinc/73/17/61/345731761.db2.gz DZSRIHDVTGKRQV-UHFFFAOYSA-N 0 0 148.177 1.340 10 0 ADAERN C[C@H](N1CCCNC1=O)C(C)(F)F 306979666 345731691 /nfs/dbraw/zinc/73/16/91/345731691.db2.gz PBWKFKSBIFQCOY-LURJTMIESA-N 0 0 192.209 1.445 10 0 ADAERN C[C@@H]1C[C@](N)(C(F)(F)F)[C@@H]1C 306980157 345731703 /nfs/dbraw/zinc/73/17/03/345731703.db2.gz FJSGPHLJYDDCTO-HSUXUTPPSA-N 0 0 167.174 1.922 10 0 ADAERN Cc1c(N)nsc1N1C[C@H]2C[C@H]2C1 306980269 345731710 /nfs/dbraw/zinc/73/17/10/345731710.db2.gz PKEVECVBBTVSCA-KNVOCYPGSA-N 0 0 195.291 1.490 10 0 ADAERN CC1CC(C(=O)N[C@H]2CC[C@H]2C)C1 306979944 345731728 /nfs/dbraw/zinc/73/17/28/345731728.db2.gz FCENAPQQNGNKOT-RGWUEKKESA-N 0 0 181.279 1.947 10 0 ADAERN CC1CC(C(=O)N[C@H]2CC[C@@H]2C)C1 306979748 345731765 /nfs/dbraw/zinc/73/17/65/345731765.db2.gz FCENAPQQNGNKOT-LRHRNSLUSA-N 0 0 181.279 1.947 10 0 ADAERN CC1CC(C(=O)N[C@@H]2CC[C@@H]2C)C1 306979951 345731768 /nfs/dbraw/zinc/73/17/68/345731768.db2.gz FCENAPQQNGNKOT-RVXWLBMTSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H](N1CCCNC1=O)C(C)(F)F 306979673 345731772 /nfs/dbraw/zinc/73/17/72/345731772.db2.gz PBWKFKSBIFQCOY-ZCFIWIBFSA-N 0 0 192.209 1.445 10 0 ADAERN C[C@@H]1C[C@@](N)(C(F)(F)F)[C@@H]1C 306980161 345731808 /nfs/dbraw/zinc/73/18/08/345731808.db2.gz FJSGPHLJYDDCTO-PBXRRBTRSA-N 0 0 167.174 1.922 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]1(N)C(F)(F)F 306980162 345731812 /nfs/dbraw/zinc/73/18/12/345731812.db2.gz FJSGPHLJYDDCTO-SRQIZXRXSA-N 0 0 167.174 1.922 10 0 ADAERN CC(C)(O)CCNc1nncs1 306980504 345731813 /nfs/dbraw/zinc/73/18/13/345731813.db2.gz FVEQCVFKJIOXDW-UHFFFAOYSA-N 0 0 187.268 1.111 10 0 ADAERN CC1CC(C(=O)N[C@@H]2CC[C@H]2C)C1 306979749 345731881 /nfs/dbraw/zinc/73/18/81/345731881.db2.gz FCENAPQQNGNKOT-QLVNRRSVSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1ccc(SC(C)(C)CO)nn1 306979442 345731928 /nfs/dbraw/zinc/73/19/28/345731928.db2.gz OYAMBWSXNBSVCK-UHFFFAOYSA-N 0 0 198.291 1.648 10 0 ADAERN C[C@H]1[C@H](C)C[C@]1(N)C(F)(F)F 306980159 345731937 /nfs/dbraw/zinc/73/19/37/345731937.db2.gz FJSGPHLJYDDCTO-NGJCXOISSA-N 0 0 167.174 1.922 10 0 ADAERN C[C@H]1C(=O)NC(C)(C)C12CCC2 306981662 345732344 /nfs/dbraw/zinc/73/23/44/345732344.db2.gz IDSUAQCJOSWWLM-ZETCQYMHSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1C(=O)NC(C)(C)C12CCC2 306981661 345732409 /nfs/dbraw/zinc/73/24/09/345732409.db2.gz IDSUAQCJOSWWLM-SSDOTTSWSA-N 0 0 167.252 1.701 10 0 ADAERN CCn1cccc1-c1noc(CN)n1 306980883 345732423 /nfs/dbraw/zinc/73/24/23/345732423.db2.gz PVGPOKRUVYAJDJ-UHFFFAOYSA-N 0 0 192.222 1.017 10 0 ADAERN N[C@@H](c1ccco1)c1ccns1 306981431 345732435 /nfs/dbraw/zinc/73/24/35/345732435.db2.gz HTLXAHRPYAEDFV-QMMMGPOBSA-N 0 0 180.232 1.784 10 0 ADAERN OCCCNc1csc(Cl)n1 306981434 345732474 /nfs/dbraw/zinc/73/24/74/345732474.db2.gz HUBXZWUSVIYGNX-UHFFFAOYSA-N 0 0 192.671 1.591 10 0 ADAERN CC1(C)CC([NH+]2CC(C(=O)[O-])C2)C1 306980890 345732502 /nfs/dbraw/zinc/73/25/02/345732502.db2.gz PWDWDBXUJBOZJE-UHFFFAOYSA-N 0 0 183.251 1.191 10 0 ADAERN N[C@H](c1ccco1)c1ccns1 306981430 345732539 /nfs/dbraw/zinc/73/25/39/345732539.db2.gz HTLXAHRPYAEDFV-MRVPVSSYSA-N 0 0 180.232 1.784 10 0 ADAERN C[C@@H](CC1=CCCC1)NN 306982088 345732825 /nfs/dbraw/zinc/73/28/25/345732825.db2.gz IVBPBNXUODIKAM-ZETCQYMHSA-N 0 0 140.230 1.339 10 0 ADAERN CC[C@@](O)(c1cn(C)cn1)C1CC1 306982036 345732829 /nfs/dbraw/zinc/73/28/29/345732829.db2.gz IQYSJAYDHKXDPJ-JTQLQIEISA-N 0 0 180.251 1.428 10 0 ADAERN C[C@H](CC1=CCCC1)NN 306982087 345732843 /nfs/dbraw/zinc/73/28/43/345732843.db2.gz IVBPBNXUODIKAM-SSDOTTSWSA-N 0 0 140.230 1.339 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncc(F)c(N)n1 306982210 345732882 /nfs/dbraw/zinc/73/28/82/345732882.db2.gz RDVYJSDSYYBPHY-XINAWCOVSA-N 0 0 182.202 1.018 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncc(F)c(N)n1 306982207 345732904 /nfs/dbraw/zinc/73/29/04/345732904.db2.gz RDVYJSDSYYBPHY-INEUFUBQSA-N 0 0 182.202 1.018 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncc(F)c(N)n1 306982208 345732935 /nfs/dbraw/zinc/73/29/35/345732935.db2.gz RDVYJSDSYYBPHY-NJGYIYPDSA-N 0 0 182.202 1.018 10 0 ADAERN CCCn1cc(C(C)=O)nc1C 306981773 345732938 /nfs/dbraw/zinc/73/29/38/345732938.db2.gz QRDINQFELZESOB-UHFFFAOYSA-N 0 0 166.224 1.804 10 0 ADAERN CC[C@](O)(c1cn(C)cn1)C1CC1 306982038 345732965 /nfs/dbraw/zinc/73/29/65/345732965.db2.gz IQYSJAYDHKXDPJ-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN Cc1cnn(C)c1[C@H]1NCCS1 306982405 345733147 /nfs/dbraw/zinc/73/31/47/345733147.db2.gz ROHHBGWGMNYWEV-QMMMGPOBSA-N 0 0 183.280 1.064 10 0 ADAERN Cc1cnn(C)c1[C@@H]1NCCS1 306982404 345733152 /nfs/dbraw/zinc/73/31/52/345733152.db2.gz ROHHBGWGMNYWEV-MRVPVSSYSA-N 0 0 183.280 1.064 10 0 ADAERN Cc1nc(C)c(CNC(=O)N(C)C)o1 306982379 345733156 /nfs/dbraw/zinc/73/31/56/345733156.db2.gz RLQJOMNHOYCXMV-UHFFFAOYSA-N 0 0 197.238 1.063 10 0 ADAERN CC(C)(NC(N)=S)c1ccccc1 306982116 345733163 /nfs/dbraw/zinc/73/31/63/345733163.db2.gz IWDZEAMBALEICF-UHFFFAOYSA-N 0 0 194.303 1.755 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncc(F)c(N)n1 306982209 345733169 /nfs/dbraw/zinc/73/31/69/345733169.db2.gz RDVYJSDSYYBPHY-UJURSFKZSA-N 0 0 182.202 1.018 10 0 ADAERN C[C@H]1CN[C@H](c2ccn(C)n2)SC1 306983492 345733299 /nfs/dbraw/zinc/73/32/99/345733299.db2.gz SXNBUMYYGCZILM-CBAPKCEASA-N 0 0 197.307 1.391 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccn(C)n2)SC1 306983494 345733385 /nfs/dbraw/zinc/73/33/85/345733385.db2.gz SXNBUMYYGCZILM-VXNVDRBHSA-N 0 0 197.307 1.391 10 0 ADAERN Cc1cc(C)n(Cc2ncc[nH]2)n1 306982620 345733442 /nfs/dbraw/zinc/73/34/42/345733442.db2.gz JRDKEWYZJVTLHM-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN FCCNc1nc(F)c(F)cc1F 306983511 345733466 /nfs/dbraw/zinc/73/34/66/345733466.db2.gz SYLZDVSHZAHFHR-UHFFFAOYSA-N 0 0 194.131 1.880 10 0 ADAERN C[C@H]1CN[C@@H](c2ccn(C)n2)SC1 306983493 345733502 /nfs/dbraw/zinc/73/35/02/345733502.db2.gz SXNBUMYYGCZILM-IONNQARKSA-N 0 0 197.307 1.391 10 0 ADAERN C[C@@H](Nc1cnccn1)C(C)(C)O 306983244 345733648 /nfs/dbraw/zinc/73/36/48/345733648.db2.gz SQFPRBSXFJAUJZ-SSDOTTSWSA-N 0 0 181.239 1.048 10 0 ADAERN COc1c[nH]c(C(F)(F)F)cc1=O 306983553 345733711 /nfs/dbraw/zinc/73/37/11/345733711.db2.gz TVIADFHELNJLHW-UHFFFAOYSA-N 0 0 193.124 1.815 10 0 ADAERN C[C@@H]1CN[C@H](c2ccn(C)n2)SC1 306983491 345733735 /nfs/dbraw/zinc/73/37/35/345733735.db2.gz SXNBUMYYGCZILM-APPZFPTMSA-N 0 0 197.307 1.391 10 0 ADAERN CCNc1nc(-c2coc(C)n2)no1 306984374 345733926 /nfs/dbraw/zinc/73/39/26/345733926.db2.gz VDANZJXVDOEPCA-UHFFFAOYSA-N 0 0 194.194 1.465 10 0 ADAERN CC1(C)CC(N2C(=S)N=NC2N)C1 306983728 345733946 /nfs/dbraw/zinc/73/39/46/345733946.db2.gz UEEPCSLTDSUFKE-UHFFFAOYSA-N 0 0 198.295 1.510 10 0 ADAERN C[C@H]1C[N@H+](/C=C/C(=O)[O-])C(C)(C)C1 306983682 345733966 /nfs/dbraw/zinc/73/39/66/345733966.db2.gz TZTDFIHETKNCNK-WTSVBCDHSA-N 0 0 183.251 1.705 10 0 ADAERN Nc1ccnc(CC2CCC2)n1 306983647 345734025 /nfs/dbraw/zinc/73/40/25/345734025.db2.gz LATDRFILBVIFEL-UHFFFAOYSA-N 0 0 163.224 1.401 10 0 ADAERN Cc1cc(O)ccc1N[S@](C)=O 306983726 345734108 /nfs/dbraw/zinc/73/41/08/345734108.db2.gz UDRWRLSVKKIHCY-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1ccns1 306983899 345734140 /nfs/dbraw/zinc/73/41/40/345734140.db2.gz UIFKUHMSMXSTTC-NTSWFWBYSA-N 0 0 167.233 1.982 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1ccns1 306983901 345734144 /nfs/dbraw/zinc/73/41/44/345734144.db2.gz UIFKUHMSMXSTTC-RITPCOANSA-N 0 0 167.233 1.982 10 0 ADAERN CONC(=O)NC1(C)CCCC1 306984320 345734233 /nfs/dbraw/zinc/73/42/33/345734233.db2.gz LYOWRPOPBZHQLY-UHFFFAOYSA-N 0 0 172.228 1.180 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1ccns1 306983900 345734275 /nfs/dbraw/zinc/73/42/75/345734275.db2.gz UIFKUHMSMXSTTC-PHDIDXHHSA-N 0 0 167.233 1.982 10 0 ADAERN C[C@@H]1C[N@H+](/C=C/C(=O)[O-])C(C)(C)C1 306983683 345734279 /nfs/dbraw/zinc/73/42/79/345734279.db2.gz TZTDFIHETKNCNK-ZJELKQJVSA-N 0 0 183.251 1.705 10 0 ADAERN Cc1cc(O)ccc1N[S@@](C)=O 306983725 345734327 /nfs/dbraw/zinc/73/43/27/345734327.db2.gz UDRWRLSVKKIHCY-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1ccns1 306983902 345734347 /nfs/dbraw/zinc/73/43/47/345734347.db2.gz UIFKUHMSMXSTTC-WDSKDSINSA-N 0 0 167.233 1.982 10 0 ADAERN CS[C@@H]1CC[C@H](n2cnc(N)n2)C1 306985303 345734621 /nfs/dbraw/zinc/73/46/21/345734621.db2.gz NEXRTLYKOACLRP-NKWVEPMBSA-N 0 0 198.295 1.317 10 0 ADAERN Fc1cnc2c(c1)NCCS2 306984595 345734643 /nfs/dbraw/zinc/73/46/43/345734643.db2.gz MJFWVFVCCSEDAF-UHFFFAOYSA-N 0 0 170.212 1.738 10 0 ADAERN CS[C@H]1CC[C@H](n2cnc(N)n2)C1 306985302 345734667 /nfs/dbraw/zinc/73/46/67/345734667.db2.gz NEXRTLYKOACLRP-BQBZGAKWSA-N 0 0 198.295 1.317 10 0 ADAERN Cc1cnccc1-c1nc(N)ns1 306984774 345734696 /nfs/dbraw/zinc/73/46/96/345734696.db2.gz MMRXYJAUMRNURH-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C=C(Cl)C(=O)NC1CCOCC1 306985667 345734727 /nfs/dbraw/zinc/73/47/27/345734727.db2.gz NPDVSWFIOITAJF-UHFFFAOYSA-N 0 0 189.642 1.034 10 0 ADAERN O=C(c1cnsn1)c1ccns1 306984549 345734791 /nfs/dbraw/zinc/73/47/91/345734791.db2.gz MEBWCXHFSBADNS-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN CS[C@@H]1CC[C@@H](n2cnc(N)n2)C1 306985304 345734813 /nfs/dbraw/zinc/73/48/13/345734813.db2.gz NEXRTLYKOACLRP-RNFRBKRXSA-N 0 0 198.295 1.317 10 0 ADAERN C[C@@H](CON)C1CCC1 306985699 345734896 /nfs/dbraw/zinc/73/48/96/345734896.db2.gz NUBXMEKDQTWUGP-LURJTMIESA-N 0 0 129.203 1.313 10 0 ADAERN O=C(Nn1cccc1)c1cc[nH]c1 306984997 345734924 /nfs/dbraw/zinc/73/49/24/345734924.db2.gz MUOGGAFFZCZUMV-UHFFFAOYSA-N 0 0 175.191 1.200 10 0 ADAERN CS[C@H]1CC[C@@H](n2cnc(N)n2)C1 306985305 345734950 /nfs/dbraw/zinc/73/49/50/345734950.db2.gz NEXRTLYKOACLRP-RQJHMYQMSA-N 0 0 198.295 1.317 10 0 ADAERN Cc1csc(Cn2cnc(N)n2)c1 306986180 345735214 /nfs/dbraw/zinc/73/52/14/345735214.db2.gz ONPDOHONLIFKKK-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C[C@H](CON)C1CCC1 306985700 345735218 /nfs/dbraw/zinc/73/52/18/345735218.db2.gz NUBXMEKDQTWUGP-ZCFIWIBFSA-N 0 0 129.203 1.313 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncc(F)cc1N 306986215 345735229 /nfs/dbraw/zinc/73/52/29/345735229.db2.gz OPNWRUVJDQEYDL-XRGYYRRGSA-N 0 0 181.214 1.623 10 0 ADAERN CCC(C)(C)[C@H]1CNC(=O)O1 306986686 345735238 /nfs/dbraw/zinc/73/52/38/345735238.db2.gz XSAAHWSAIWFQTJ-ZCFIWIBFSA-N 0 0 157.213 1.531 10 0 ADAERN C[C@@H]1CSC(N[C@H](C)C(F)F)=N1 306986235 345735262 /nfs/dbraw/zinc/73/52/62/345735262.db2.gz XHIOQLYDMJQESW-RFZPGFLSSA-N 0 0 194.250 1.721 10 0 ADAERN C[C@H]1CSC(N[C@@H](C)C(F)F)=N1 306986237 345735298 /nfs/dbraw/zinc/73/52/98/345735298.db2.gz XHIOQLYDMJQESW-WHFBIAKZSA-N 0 0 194.250 1.721 10 0 ADAERN C[C@H](NC1=N[C@H](C)CS1)C(F)F 306986236 345735315 /nfs/dbraw/zinc/73/53/15/345735315.db2.gz XHIOQLYDMJQESW-UHNVWZDZSA-N 0 0 194.250 1.721 10 0 ADAERN Cc1c(N)n[nH]c1CC1(C)CC1 306985899 345735347 /nfs/dbraw/zinc/73/53/47/345735347.db2.gz OBFNGQTZCKJIFK-UHFFFAOYSA-N 0 0 165.240 1.643 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncc(F)cc1N 306986213 345735351 /nfs/dbraw/zinc/73/53/51/345735351.db2.gz OPNWRUVJDQEYDL-SVGQVSJJSA-N 0 0 181.214 1.623 10 0 ADAERN C[C@H]1C[C@H]1Nc1ncc(F)cc1N 306986217 345735376 /nfs/dbraw/zinc/73/53/76/345735376.db2.gz OPNWRUVJDQEYDL-YLWLKBPMSA-N 0 0 181.214 1.623 10 0 ADAERN CCC(C)(C)[C@@H]1CNC(=O)O1 306986685 345735458 /nfs/dbraw/zinc/73/54/58/345735458.db2.gz XSAAHWSAIWFQTJ-LURJTMIESA-N 0 0 157.213 1.531 10 0 ADAERN CC(C)(NC(N)=S)C(F)(F)F 306986700 345735464 /nfs/dbraw/zinc/73/54/64/345735464.db2.gz XTMCXUWKNXRRLW-UHFFFAOYSA-N 0 0 186.202 1.161 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ncc(F)cc1N 306986214 345735482 /nfs/dbraw/zinc/73/54/82/345735482.db2.gz OPNWRUVJDQEYDL-XNCJUZBTSA-N 0 0 181.214 1.623 10 0 ADAERN CC(F)(F)[C@@H](N)C1=COCC1 306987226 345735959 /nfs/dbraw/zinc/73/59/59/345735959.db2.gz PYXZOCOVGJJSRL-LURJTMIESA-N 0 0 163.167 1.273 10 0 ADAERN CC(F)(F)[C@H](N)C1=COCC1 306987227 345736015 /nfs/dbraw/zinc/73/60/15/345736015.db2.gz PYXZOCOVGJJSRL-ZCFIWIBFSA-N 0 0 163.167 1.273 10 0 ADAERN Nc1cncc(-c2ccns2)n1 306987022 345736058 /nfs/dbraw/zinc/73/60/58/345736058.db2.gz PMSBPRRERXQDEJ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CSC(C)(C)C(=O)c1cnnn1C 306987213 345736161 /nfs/dbraw/zinc/73/61/61/345736161.db2.gz PXIWDVNFDXCLJZ-UHFFFAOYSA-N 0 0 199.279 1.139 10 0 ADAERN CC1([C@@H]2COC(N)=N2)CCCC1 306988293 345736348 /nfs/dbraw/zinc/73/63/48/345736348.db2.gz AUQZIWOLCDRTGA-ZETCQYMHSA-N 0 0 168.240 1.280 10 0 ADAERN CC[C@H](C)c1cc(CO)[nH]n1 306987717 345736354 /nfs/dbraw/zinc/73/63/54/345736354.db2.gz ZKWZTZRPDOVTRS-LURJTMIESA-N 0 0 154.213 1.416 10 0 ADAERN Cc1cc(CNc2cn[nH]c2)on1 306988530 345736362 /nfs/dbraw/zinc/73/63/62/345736362.db2.gz GMANWSUJYSQSSY-UHFFFAOYSA-N 0 0 178.195 1.318 10 0 ADAERN CS[C@H](C)C(=O)Nc1ncc[nH]1 306988698 345736376 /nfs/dbraw/zinc/73/63/76/345736376.db2.gz BAEWCZGXCFFJCZ-RXMQYKEDSA-N 0 0 185.252 1.100 10 0 ADAERN C[C@H](C(=O)N1CCCO1)C(C)(F)F 306988280 345736410 /nfs/dbraw/zinc/73/64/10/345736410.db2.gz RDZIVBFMIAWUMD-ZCFIWIBFSA-N 0 0 193.193 1.442 10 0 ADAERN CC1([C@H]2COC(N)=N2)CCCC1 306988289 345736436 /nfs/dbraw/zinc/73/64/36/345736436.db2.gz AUQZIWOLCDRTGA-SSDOTTSWSA-N 0 0 168.240 1.280 10 0 ADAERN CS[C@@H](C)C(=O)Nc1ncc[nH]1 306988700 345736555 /nfs/dbraw/zinc/73/65/55/345736555.db2.gz BAEWCZGXCFFJCZ-YFKPBYRVSA-N 0 0 185.252 1.100 10 0 ADAERN CC[C@@H](C)c1cc(CO)[nH]n1 306987718 345736574 /nfs/dbraw/zinc/73/65/74/345736574.db2.gz ZKWZTZRPDOVTRS-ZCFIWIBFSA-N 0 0 154.213 1.416 10 0 ADAERN O=C1N[C@@H](c2cccs2)[C@@H]1C1CC1 306989662 345736921 /nfs/dbraw/zinc/73/69/21/345736921.db2.gz HQXRUQYXYREKRC-IUCAKERBSA-N 0 0 193.271 1.945 10 0 ADAERN CCn1ccnc1[C@@H]1NC[C@H](C)S1 306989203 345736965 /nfs/dbraw/zinc/73/69/65/345736965.db2.gz HHJPMHJFTAFSQU-IONNQARKSA-N 0 0 197.307 1.627 10 0 ADAERN O=C1N[C@@H](c2cccs2)[C@H]1C1CC1 306989660 345737014 /nfs/dbraw/zinc/73/70/14/345737014.db2.gz HQXRUQYXYREKRC-BDAKNGLRSA-N 0 0 193.271 1.945 10 0 ADAERN CCn1ccnc1[C@@H]1NC[C@@H](C)S1 306989205 345737021 /nfs/dbraw/zinc/73/70/21/345737021.db2.gz HHJPMHJFTAFSQU-VXNVDRBHSA-N 0 0 197.307 1.627 10 0 ADAERN Cc1n[nH]c(C2CC(F)(F)C2)n1 306988752 345737040 /nfs/dbraw/zinc/73/70/40/345737040.db2.gz GXWIFACYBHPECA-UHFFFAOYSA-N 0 0 173.166 1.626 10 0 ADAERN Clc1ccnc(-c2cncnc2)n1 306989292 345737049 /nfs/dbraw/zinc/73/70/49/345737049.db2.gz GYTUNGRRHSGEID-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN CC1(C)[C@@H]2C[C@@H](O)[C@@]1(C)C[C@H]2O 306989463 345737056 /nfs/dbraw/zinc/73/70/56/345737056.db2.gz HLVIHBJQDKVEAL-FDDDBJFASA-N 0 0 170.252 1.164 10 0 ADAERN O=C1N[C@H](c2cccs2)[C@@H]1C1CC1 306989661 345737176 /nfs/dbraw/zinc/73/71/76/345737176.db2.gz HQXRUQYXYREKRC-DTWKUNHWSA-N 0 0 193.271 1.945 10 0 ADAERN CCn1ccnc1[C@H]1NC[C@H](C)S1 306989201 345737249 /nfs/dbraw/zinc/73/72/49/345737249.db2.gz HHJPMHJFTAFSQU-CBAPKCEASA-N 0 0 197.307 1.627 10 0 ADAERN O=C1N[C@H](c2cccs2)[C@H]1C1CC1 306989663 345737288 /nfs/dbraw/zinc/73/72/88/345737288.db2.gz HQXRUQYXYREKRC-RKDXNWHRSA-N 0 0 193.271 1.945 10 0 ADAERN CCn1ccnc1[C@H]1NC[C@@H](C)S1 306989199 345737347 /nfs/dbraw/zinc/73/73/47/345737347.db2.gz HHJPMHJFTAFSQU-APPZFPTMSA-N 0 0 197.307 1.627 10 0 ADAERN Cc1nc(C(=O)c2cn[nH]c2)cs1 306989758 345737615 /nfs/dbraw/zinc/73/76/15/345737615.db2.gz HWDXYXMESWXIIX-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN COc1ncc(C2(O)CCC2)s1 306990112 345737649 /nfs/dbraw/zinc/73/76/49/345737649.db2.gz SUWHMYIUPMWVEA-UHFFFAOYSA-N 0 0 185.248 1.523 10 0 ADAERN CC1(C)CC[C@H](C(=O)NC2CC2)O1 306990338 345737659 /nfs/dbraw/zinc/73/76/59/345737659.db2.gz TVDQWZDFDNDFTB-MRVPVSSYSA-N 0 0 183.251 1.223 10 0 ADAERN C[C@H]1[C@@H]2CC(=O)C[C@H]12 306990200 345737663 /nfs/dbraw/zinc/73/76/63/345737663.db2.gz IKOGZZYTRIDDHU-HLWYMKQYSA-N 0 0 110.156 1.231 10 0 ADAERN C[C@H](n1ncnc1N)C(C)(C)C 306990387 345737670 /nfs/dbraw/zinc/73/76/70/345737670.db2.gz TXXMAFKFKJARHT-LURJTMIESA-N 0 0 168.244 1.467 10 0 ADAERN CC1(C)CC[C@@H](C(=O)NC2CC2)O1 306990339 345737692 /nfs/dbraw/zinc/73/76/92/345737692.db2.gz TVDQWZDFDNDFTB-QMMMGPOBSA-N 0 0 183.251 1.223 10 0 ADAERN CC(C)[C@H](C)n1[nH]c(=O)cc1N 306990757 345737716 /nfs/dbraw/zinc/73/77/16/345737716.db2.gz UGHUBRQDVCTQBO-LURJTMIESA-N 0 0 169.228 1.388 10 0 ADAERN CC(C)[C@@H](C)n1[nH]c(=O)cc1N 306990759 345737867 /nfs/dbraw/zinc/73/78/67/345737867.db2.gz UGHUBRQDVCTQBO-ZCFIWIBFSA-N 0 0 169.228 1.388 10 0 ADAERN C[C@@H](n1ncnc1N)C(C)(C)C 306990389 345737931 /nfs/dbraw/zinc/73/79/31/345737931.db2.gz TXXMAFKFKJARHT-ZCFIWIBFSA-N 0 0 168.244 1.467 10 0 ADAERN Cc1nnc(Cc2csc(C)n2)o1 306990186 345737936 /nfs/dbraw/zinc/73/79/36/345737936.db2.gz IIOQIPYNFMWNSO-UHFFFAOYSA-N 0 0 195.247 1.734 10 0 ADAERN CC(C)C(=O)N[C@H]1C[C@@H](C)O[C@H]1C 306990969 345738276 /nfs/dbraw/zinc/73/82/76/345738276.db2.gz JRZXRRZYAIBULK-VGMNWLOBSA-N 0 0 185.267 1.325 10 0 ADAERN N#CN[C@H]1CCCCC1(F)F 306990760 345738292 /nfs/dbraw/zinc/73/82/92/345738292.db2.gz UGICHYDHNKBYIG-LURJTMIESA-N 0 0 160.167 1.635 10 0 ADAERN CC(C)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C 306990964 345738312 /nfs/dbraw/zinc/73/83/12/345738312.db2.gz JRZXRRZYAIBULK-HRDYMLBCSA-N 0 0 185.267 1.325 10 0 ADAERN Cc1ncncc1-c1nc(N)cs1 306991324 345738319 /nfs/dbraw/zinc/73/83/19/345738319.db2.gz VAPGFDYGVWMEMC-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC(C)C(=O)N[C@H]1C[C@@H](C)O[C@@H]1C 306990963 345738329 /nfs/dbraw/zinc/73/83/29/345738329.db2.gz JRZXRRZYAIBULK-HLTSFMKQSA-N 0 0 185.267 1.325 10 0 ADAERN C[C@@H](Nc1nncs1)c1ncon1 306990828 345738342 /nfs/dbraw/zinc/73/83/42/345738342.db2.gz UIXMTLSVGJLCDJ-SCSAIBSYSA-N 0 0 197.223 1.094 10 0 ADAERN N#CN[C@@H]1CCCCC1(F)F 306990762 345738361 /nfs/dbraw/zinc/73/83/61/345738361.db2.gz UGICHYDHNKBYIG-ZCFIWIBFSA-N 0 0 160.167 1.635 10 0 ADAERN CO[C@H]1C[C@@H](Nc2cccc(C)n2)C1 306991184 345738395 /nfs/dbraw/zinc/73/83/95/345738395.db2.gz JYGYKJNXRUFCAH-AOOOYVTPSA-N 0 0 192.262 1.979 10 0 ADAERN O=C1CCN(CC2=CCCC2)CC1 306990855 345738504 /nfs/dbraw/zinc/73/85/04/345738504.db2.gz UJZFOXAMFPPGQP-UHFFFAOYSA-N 0 0 179.263 1.762 10 0 ADAERN CC[C@H]1C[C@H]1c1[nH]nc(N)c1C 306991811 345738829 /nfs/dbraw/zinc/73/88/29/345738829.db2.gz KUKPIJPFAGNDSQ-NKWVEPMBSA-N 0 0 165.240 1.814 10 0 ADAERN C[C@]1(C(=O)C2CCOCC2)C[C@@H]1F 306991833 345738655 /nfs/dbraw/zinc/73/86/55/345738655.db2.gz VQOPVPOEUFIHSX-WPRPVWTQSA-N 0 0 186.226 1.730 10 0 ADAERN C[C@@H]1C[C@H](Nc2nnc(N)o2)[C@@H]1C 306992116 345738680 /nfs/dbraw/zinc/73/86/80/345738680.db2.gz LBLWUUVWPVLNMZ-PBXRRBTRSA-N 0 0 182.227 1.108 10 0 ADAERN C[C@]1(C(=O)C2CCOCC2)C[C@H]1F 306991831 345738692 /nfs/dbraw/zinc/73/86/92/345738692.db2.gz VQOPVPOEUFIHSX-SCZZXKLOSA-N 0 0 186.226 1.730 10 0 ADAERN CC(C)[C@H]1[C@H](C)C(=O)NC1(C)C 306992478 345738721 /nfs/dbraw/zinc/73/87/21/345738721.db2.gz WNEQGEZWQHNTTQ-YUMQZZPRSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)[C@@H]1[C@@H](C)C(=O)NC1(C)C 306992475 345738727 /nfs/dbraw/zinc/73/87/27/345738727.db2.gz WNEQGEZWQHNTTQ-HTQZYQBOSA-N 0 0 169.268 1.803 10 0 ADAERN C[C@@H]1[C@@H](Nc2nnc(N)o2)C[C@H]1C 306992117 345738738 /nfs/dbraw/zinc/73/87/38/345738738.db2.gz LBLWUUVWPVLNMZ-SRQIZXRXSA-N 0 0 182.227 1.108 10 0 ADAERN CC(C)[C@H]1[C@@H](C)C(=O)NC1(C)C 306992477 345738777 /nfs/dbraw/zinc/73/87/77/345738777.db2.gz WNEQGEZWQHNTTQ-SFYZADRCSA-N 0 0 169.268 1.803 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2ccns2)O1 306991671 345738813 /nfs/dbraw/zinc/73/88/13/345738813.db2.gz VQLWVRIUYNYDRB-RQJHMYQMSA-N 0 0 197.259 1.893 10 0 ADAERN CC[C@H]1C[C@@H]1c1[nH]nc(N)c1C 306991810 345738858 /nfs/dbraw/zinc/73/88/58/345738858.db2.gz KUKPIJPFAGNDSQ-BQBZGAKWSA-N 0 0 165.240 1.814 10 0 ADAERN C[C@@]1(C(=O)C2CCOCC2)C[C@@H]1F 306991832 345738895 /nfs/dbraw/zinc/73/88/95/345738895.db2.gz VQOPVPOEUFIHSX-WCBMZHEXSA-N 0 0 186.226 1.730 10 0 ADAERN CC[C@@H]1C[C@H]1c1[nH]nc(N)c1C 306991812 345738899 /nfs/dbraw/zinc/73/88/99/345738899.db2.gz KUKPIJPFAGNDSQ-RNFRBKRXSA-N 0 0 165.240 1.814 10 0 ADAERN C[C@H]1C[C@H](O)CN(C(=O)CC2CC2)C1 306992505 345738940 /nfs/dbraw/zinc/73/89/40/345738940.db2.gz WPLLTOHYSFEEIW-WPRPVWTQSA-N 0 0 197.278 1.016 10 0 ADAERN CC(C)[C@H](NN)[C@]1(C)C[C@H]1F 306991654 345738943 /nfs/dbraw/zinc/73/89/43/345738943.db2.gz VPFRGNZZZWHNJD-GJMOJQLCSA-N 0 0 160.236 1.222 10 0 ADAERN CC(C)[C@H](NN)[C@@]1(C)C[C@@H]1F 306991653 345738946 /nfs/dbraw/zinc/73/89/46/345738946.db2.gz VPFRGNZZZWHNJD-FXQIFTODSA-N 0 0 160.236 1.222 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2ccns2)O1 306991670 345738948 /nfs/dbraw/zinc/73/89/48/345738948.db2.gz VQLWVRIUYNYDRB-RNFRBKRXSA-N 0 0 197.259 1.893 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2ccns2)O1 306991668 345738952 /nfs/dbraw/zinc/73/89/52/345738952.db2.gz VQLWVRIUYNYDRB-BQBZGAKWSA-N 0 0 197.259 1.893 10 0 ADAERN CC(C)[C@H](NN)[C@]1(C)C[C@@H]1F 306991651 345738968 /nfs/dbraw/zinc/73/89/68/345738968.db2.gz VPFRGNZZZWHNJD-BIIVOSGPSA-N 0 0 160.236 1.222 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2ccns2)O1 306991669 345738984 /nfs/dbraw/zinc/73/89/84/345738984.db2.gz VQLWVRIUYNYDRB-NKWVEPMBSA-N 0 0 197.259 1.893 10 0 ADAERN CC(C)[C@@H]1[C@H](C)C(=O)NC1(C)C 306992476 345739032 /nfs/dbraw/zinc/73/90/32/345739032.db2.gz WNEQGEZWQHNTTQ-JGVFFNPUSA-N 0 0 169.268 1.803 10 0 ADAERN C[C@@]1(C(=O)C2CCOCC2)C[C@H]1F 306991830 345739044 /nfs/dbraw/zinc/73/90/44/345739044.db2.gz VQOPVPOEUFIHSX-PSASIEDQSA-N 0 0 186.226 1.730 10 0 ADAERN CC(C)[C@H](NN)[C@@]1(C)C[C@H]1F 306991652 345739046 /nfs/dbraw/zinc/73/90/46/345739046.db2.gz VPFRGNZZZWHNJD-CSMHCCOUSA-N 0 0 160.236 1.222 10 0 ADAERN C=C(Cl)C(=O)NC1CCCC1 306992512 345739064 /nfs/dbraw/zinc/73/90/64/345739064.db2.gz WQIBKKJUQFVADL-UHFFFAOYSA-N 0 0 173.643 1.798 10 0 ADAERN CC[C@@H]1C[C@@H]1c1[nH]nc(N)c1C 306991813 345739070 /nfs/dbraw/zinc/73/90/70/345739070.db2.gz KUKPIJPFAGNDSQ-RQJHMYQMSA-N 0 0 165.240 1.814 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1nnc(N)o1 306992115 345739075 /nfs/dbraw/zinc/73/90/75/345739075.db2.gz LBLWUUVWPVLNMZ-NGJCXOISSA-N 0 0 182.227 1.108 10 0 ADAERN C[C@@H]1C[C@@H](Nc2nnc(N)o2)[C@@H]1C 306992114 345739077 /nfs/dbraw/zinc/73/90/77/345739077.db2.gz LBLWUUVWPVLNMZ-HSUXUTPPSA-N 0 0 182.227 1.108 10 0 ADAERN CC(=O)Nc1nc(Cl)ncc1F 306991667 345739119 /nfs/dbraw/zinc/73/91/19/345739119.db2.gz VQLSXQJKUDJNNX-UHFFFAOYSA-N 0 0 189.577 1.228 10 0 ADAERN C[C@H]1C(=O)NC[C@]1(C)C1CC1 306993069 345739323 /nfs/dbraw/zinc/73/93/23/345739323.db2.gz YBZXPADJWRBPKJ-RCOVLWMOSA-N 0 0 153.225 1.169 10 0 ADAERN O=C(Nc1ccon1)c1ccc[nH]1 306992820 345739327 /nfs/dbraw/zinc/73/93/27/345739327.db2.gz XLWTYEINZCJIBJ-UHFFFAOYSA-N 0 0 177.163 1.255 10 0 ADAERN CCON(C)c1ncc(N)s1 306992742 345739397 /nfs/dbraw/zinc/73/93/97/345739397.db2.gz XGAGTFPYKREHRY-UHFFFAOYSA-N 0 0 173.241 1.113 10 0 ADAERN CC(F)(F)[C@@H](NN)c1ccsc1 306993295 345739452 /nfs/dbraw/zinc/73/94/52/345739452.db2.gz YVPOFTHWUQHQMS-LURJTMIESA-N 0 0 192.234 1.908 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1CC1(C)C 306992991 345739456 /nfs/dbraw/zinc/73/94/56/345739456.db2.gz XXENYJOSWKCLCV-ZCFIWIBFSA-N 0 0 173.643 1.654 10 0 ADAERN CN[C@]1(C(F)(F)F)C[C@@H](C)O[C@@H]1C 306993131 345739467 /nfs/dbraw/zinc/73/94/67/345739467.db2.gz YHNCKQLLEGNQNN-FSDSQADBSA-N 0 0 197.200 1.704 10 0 ADAERN C[C@@H]1C(=O)NC[C@]1(C)C1CC1 306993068 345739489 /nfs/dbraw/zinc/73/94/89/345739489.db2.gz YBZXPADJWRBPKJ-MUWHJKNJSA-N 0 0 153.225 1.169 10 0 ADAERN CC(F)(F)[C@H](NN)c1ccsc1 306993296 345739517 /nfs/dbraw/zinc/73/95/17/345739517.db2.gz YVPOFTHWUQHQMS-ZCFIWIBFSA-N 0 0 192.234 1.908 10 0 ADAERN Cc1[nH]c(=O)c(C[NH3+])cc1C(C)C 306992544 345739533 /nfs/dbraw/zinc/73/95/33/345739533.db2.gz WSKXNNWXWLNSMX-UHFFFAOYSA-N 0 0 180.251 1.678 10 0 ADAERN CN[C@]1(C(F)(F)F)C[C@H](C)O[C@@H]1C 306993133 345739545 /nfs/dbraw/zinc/73/95/45/345739545.db2.gz YHNCKQLLEGNQNN-RRKCRQDMSA-N 0 0 197.200 1.704 10 0 ADAERN C[C@H]1C(=O)NC[C@@]1(C)C1CC1 306993067 345739551 /nfs/dbraw/zinc/73/95/51/345739551.db2.gz YBZXPADJWRBPKJ-IMTBSYHQSA-N 0 0 153.225 1.169 10 0 ADAERN CN[C@]1(C(F)(F)F)C[C@H](C)O[C@H]1C 306993132 345739554 /nfs/dbraw/zinc/73/95/54/345739554.db2.gz YHNCKQLLEGNQNN-LYFYHCNISA-N 0 0 197.200 1.704 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]1(C)C1CC1 306993066 345739576 /nfs/dbraw/zinc/73/95/76/345739576.db2.gz YBZXPADJWRBPKJ-HZGVNTEJSA-N 0 0 153.225 1.169 10 0 ADAERN CN[C@]1(C(F)(F)F)C[C@@H](C)O[C@H]1C 306993130 345739630 /nfs/dbraw/zinc/73/96/30/345739630.db2.gz YHNCKQLLEGNQNN-DSYKOEDSSA-N 0 0 197.200 1.704 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1CC1(C)C 306992990 345739633 /nfs/dbraw/zinc/73/96/33/345739633.db2.gz XXENYJOSWKCLCV-LURJTMIESA-N 0 0 173.643 1.654 10 0 ADAERN COc1ccncc1C(=O)C(C)(C)O 306994379 345740094 /nfs/dbraw/zinc/74/00/94/345740094.db2.gz NKFLHIUYXJKHIY-UHFFFAOYSA-N 0 0 195.218 1.044 10 0 ADAERN CC(C)NC(=S)N1[C@H](C)C[C@H]1C 306995201 345740378 /nfs/dbraw/zinc/74/03/78/345740378.db2.gz PRKQBJGKUDIBKW-HTQZYQBOSA-N 0 0 186.324 1.752 10 0 ADAERN CC(C)NC(=S)N1[C@@H](C)C[C@@H]1C 306995203 345740461 /nfs/dbraw/zinc/74/04/61/345740461.db2.gz PRKQBJGKUDIBKW-YUMQZZPRSA-N 0 0 186.324 1.752 10 0 ADAERN Cc1ccc(N)cc1N[S@@](C)=O 306995306 345740532 /nfs/dbraw/zinc/74/05/32/345740532.db2.gz PYCSYXUTHAMDDG-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN CC(C)NC(=S)N1[C@@H](C)C[C@H]1C 306995202 345740551 /nfs/dbraw/zinc/74/05/51/345740551.db2.gz PRKQBJGKUDIBKW-OCAPTIKFSA-N 0 0 186.324 1.752 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N(C)C1CC1 306994554 345740595 /nfs/dbraw/zinc/74/05/95/345740595.db2.gz NWYKRSUSHRKLIO-HTRCEHHLSA-N 0 0 168.240 1.199 10 0 ADAERN CN(CC(F)F)c1ncc[nH]1 306994915 345740600 /nfs/dbraw/zinc/74/06/00/345740600.db2.gz ORLAYKIVOAMNMH-UHFFFAOYSA-N 0 0 161.155 1.111 10 0 ADAERN CN(c1cc(N)ns1)C(C)(C)C 306994820 345740609 /nfs/dbraw/zinc/74/06/09/345740609.db2.gz OODPYOFIULYZHD-UHFFFAOYSA-N 0 0 185.296 1.960 10 0 ADAERN CN(c1ncc[nH]1)C1CCC1 306995613 345740612 /nfs/dbraw/zinc/74/06/12/345740612.db2.gz QSWMRQKQWAOJKK-UHFFFAOYSA-N 0 0 151.213 1.398 10 0 ADAERN Cc1ccc(N)cc1N[S@](C)=O 306995307 345740618 /nfs/dbraw/zinc/74/06/18/345740618.db2.gz PYCSYXUTHAMDDG-LBPRGKRZSA-N 0 0 184.264 1.283 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1CC[C@H]1C 306996280 345740831 /nfs/dbraw/zinc/74/08/31/345740831.db2.gz SFEAYTQXIFEIKV-IUYFFOMESA-N 0 0 167.252 1.867 10 0 ADAERN Cc1nnc(-c2cc[nH]c2)o1 306996092 345740918 /nfs/dbraw/zinc/74/09/18/345740918.db2.gz RORGYKCXVLEGBW-UHFFFAOYSA-N 0 0 149.153 1.373 10 0 ADAERN Cc1cnc(NC(C)C)nc1C 306996187 345740930 /nfs/dbraw/zinc/74/09/30/345740930.db2.gz RYZQSPVALHKJGX-UHFFFAOYSA-N 0 0 165.240 1.914 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CC[C@H]1C 306996283 345740936 /nfs/dbraw/zinc/74/09/36/345740936.db2.gz SFEAYTQXIFEIKV-QNVIJMGISA-N 0 0 167.252 1.867 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CC[C@@H]1C 306996281 345741093 /nfs/dbraw/zinc/74/10/93/345741093.db2.gz SFEAYTQXIFEIKV-JYUDYDOHSA-N 0 0 167.252 1.867 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1CC[C@@H]1C 306996282 345741159 /nfs/dbraw/zinc/74/11/59/345741159.db2.gz SFEAYTQXIFEIKV-LSRCEVBISA-N 0 0 167.252 1.867 10 0 ADAERN CNC(=O)c1ccc(SC)nc1 306996050 345741192 /nfs/dbraw/zinc/74/11/92/345741192.db2.gz RMSRXSGFKHWRDH-UHFFFAOYSA-N 0 0 182.248 1.163 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC=CCC1 306996883 345741521 /nfs/dbraw/zinc/74/15/21/345741521.db2.gz UIUGBCOEPRTCJE-OPRDCNLKSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CCC[C@H]([NH3+])C1 306996927 345741524 /nfs/dbraw/zinc/74/15/24/345741524.db2.gz UNEBPNRTXSVWIR-RNJXMRFFSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC1 306997452 345741550 /nfs/dbraw/zinc/74/15/50/345741550.db2.gz WFNYKWPIPPZCLC-RKDXNWHRSA-N 0 0 183.251 1.034 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CCC[C@H]([NH3+])C1 306996926 345741664 /nfs/dbraw/zinc/74/16/64/345741664.db2.gz UNEBPNRTXSVWIR-FXQIFTODSA-N 0 0 171.240 1.225 10 0 ADAERN CNC(=S)N(C)C(C)(C)C 306997783 345741694 /nfs/dbraw/zinc/74/16/94/345741694.db2.gz XMGDWHSOTSCLDI-UHFFFAOYSA-N 0 0 160.286 1.221 10 0 ADAERN CN(c1ncncc1N)C(C)(C)C 306997436 345741698 /nfs/dbraw/zinc/74/16/98/345741698.db2.gz WDZKRTYWZTVRLN-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CCC[C@@H]([NH3+])C1 306996925 345741699 /nfs/dbraw/zinc/74/16/99/345741699.db2.gz UNEBPNRTXSVWIR-BIIVOSGPSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1CCC[C@@H]([NH3+])C1 306996928 345741715 /nfs/dbraw/zinc/74/17/15/345741715.db2.gz UNEBPNRTXSVWIR-XLPZGREQSA-N 0 0 171.240 1.225 10 0 ADAERN CN(c1ncc[nH]1)C(C)(C)C 306997156 345741745 /nfs/dbraw/zinc/74/17/45/345741745.db2.gz VGCDGAHCHZSQAG-UHFFFAOYSA-N 0 0 153.229 1.644 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@H]1CC=CCC1 306996882 345741749 /nfs/dbraw/zinc/74/17/49/345741749.db2.gz UIUGBCOEPRTCJE-KXUCPTDWSA-N 0 0 179.263 1.867 10 0 ADAERN CC1(C)CCc2[nH]c(=O)ncc2C1 306998187 345741937 /nfs/dbraw/zinc/74/19/37/345741937.db2.gz XVTRLRIDYGHLLY-UHFFFAOYSA-N 0 0 178.235 1.697 10 0 ADAERN Cc1ccc(N)c(N[S@@](C)=O)c1C 306998185 345741941 /nfs/dbraw/zinc/74/19/41/345741941.db2.gz XVRASOYSQRUFBN-CYBMUJFWSA-N 0 0 198.291 1.591 10 0 ADAERN Cc1cnn(C)c1[C@H]1CCC[C@@H]1O 306998225 345742106 /nfs/dbraw/zinc/74/21/06/345742106.db2.gz BFZJOTURWMNILE-IUCAKERBSA-N 0 0 180.251 1.357 10 0 ADAERN CC(F)(F)CCNC#N 306998337 345742116 /nfs/dbraw/zinc/74/21/16/345742116.db2.gz XYGJWHKGSIJTRZ-UHFFFAOYSA-N 0 0 134.129 1.102 10 0 ADAERN Cc1cnn(C)c1[C@@H]1CCC[C@H]1O 306998226 345742185 /nfs/dbraw/zinc/74/21/85/345742185.db2.gz BFZJOTURWMNILE-RKDXNWHRSA-N 0 0 180.251 1.357 10 0 ADAERN Cc1cnn(C)c1[C@H]1CCC[C@H]1O 306998224 345742197 /nfs/dbraw/zinc/74/21/97/345742197.db2.gz BFZJOTURWMNILE-DTWKUNHWSA-N 0 0 180.251 1.357 10 0 ADAERN Cc1ccc(N)c(N[S@](C)=O)c1C 306998186 345742213 /nfs/dbraw/zinc/74/22/13/345742213.db2.gz XVRASOYSQRUFBN-ZDUSSCGKSA-N 0 0 198.291 1.591 10 0 ADAERN Cc1cnn(C)c1[C@@H]1CCC[C@@H]1O 306998223 345742223 /nfs/dbraw/zinc/74/22/23/345742223.db2.gz BFZJOTURWMNILE-BDAKNGLRSA-N 0 0 180.251 1.357 10 0 ADAERN C[C@H](Nc1ncc(N)s1)C(F)F 306999433 345742467 /nfs/dbraw/zinc/74/24/67/345742467.db2.gz AFQZLIXMEKTBIE-VKHMYHEASA-N 0 0 193.222 1.791 10 0 ADAERN CC1CN(C(=O)CC2CC2)C1 306999330 345742474 /nfs/dbraw/zinc/74/24/74/345742474.db2.gz ZVJLCVGJDUTXAP-UHFFFAOYSA-N 0 0 153.225 1.265 10 0 ADAERN CN(C)C(C)(C)c1nccc(Cl)n1 306998647 345742543 /nfs/dbraw/zinc/74/25/43/345742543.db2.gz CKICHLFNXAEETQ-UHFFFAOYSA-N 0 0 199.685 1.927 10 0 ADAERN Cc1cccc(C2=[NH+]CCCN2)n1 306999112 345742621 /nfs/dbraw/zinc/74/26/21/345742621.db2.gz ZDBICWLTFFPDIR-UHFFFAOYSA-N 0 0 175.235 1.130 10 0 ADAERN CC(C)(C)[C@H](O)CNc1ncccn1 306998979 345742762 /nfs/dbraw/zinc/74/27/62/345742762.db2.gz YUHSPWZETITVPY-MRVPVSSYSA-N 0 0 195.266 1.296 10 0 ADAERN CC(=O)Nc1nc(F)ccc1Cl 306999171 345742769 /nfs/dbraw/zinc/74/27/69/345742769.db2.gz ZHFYVYLXHGLUBF-UHFFFAOYSA-N 0 0 188.589 1.833 10 0 ADAERN C[C@@H](Nc1ncc(N)s1)C(F)F 306999428 345742781 /nfs/dbraw/zinc/74/27/81/345742781.db2.gz AFQZLIXMEKTBIE-GSVOUGTGSA-N 0 0 193.222 1.791 10 0 ADAERN CC(C)(C)[C@@H](O)CNc1ncccn1 306998980 345742848 /nfs/dbraw/zinc/74/28/48/345742848.db2.gz YUHSPWZETITVPY-QMMMGPOBSA-N 0 0 195.266 1.296 10 0 ADAERN CC(C)[C@H](O)C[N@@H+]1CC[C@](C)(F)C1 307000006 345743104 /nfs/dbraw/zinc/74/31/04/345743104.db2.gz DGUGIVBJIAAART-ZJUUUORDSA-N 0 0 189.274 1.437 10 0 ADAERN CCc1ccc(C(N)=O)c(C)n1 307000066 345743128 /nfs/dbraw/zinc/74/31/28/345743128.db2.gz AXIFMXLLJMZHJQ-UHFFFAOYSA-N 0 0 164.208 1.051 10 0 ADAERN CCC(=O)N[C@H]1CC12CCCC2 307000082 345743185 /nfs/dbraw/zinc/74/31/85/345743185.db2.gz ASKHDLFSBOIFKV-QMMMGPOBSA-N 0 0 167.252 1.845 10 0 ADAERN C=CC(=O)NCc1occc1C 307000742 345743786 /nfs/dbraw/zinc/74/37/86/345743786.db2.gz BVLCLFLCAFDGDV-UHFFFAOYSA-N 0 0 165.192 1.390 10 0 ADAERN C[C@@H](C(=O)N1CC1)c1ccsc1 307000893 345743803 /nfs/dbraw/zinc/74/38/03/345743803.db2.gz BXOVLLPHIUBFDL-SSDOTTSWSA-N 0 0 181.260 1.694 10 0 ADAERN C[C@H](C(=O)N1CC1)c1ccsc1 307000905 345744006 /nfs/dbraw/zinc/74/40/06/345744006.db2.gz BXOVLLPHIUBFDL-ZETCQYMHSA-N 0 0 181.260 1.694 10 0 ADAERN O=C1CC[C@H](Cc2cnsn2)C1 307001743 345744256 /nfs/dbraw/zinc/74/42/56/345744256.db2.gz AMKHAAIEWDNMCE-ZCFIWIBFSA-N 0 0 182.248 1.450 10 0 ADAERN Cn1cc([C@]2(O)CCC[C@@H]3C[C@@H]32)cn1 307001905 345744261 /nfs/dbraw/zinc/74/42/61/345744261.db2.gz BCXJQNPPGZITBX-DVVUODLYSA-N 0 0 192.262 1.428 10 0 ADAERN CSc1nccn(CC(C)C)c1=O 307001279 345744320 /nfs/dbraw/zinc/74/43/20/345744320.db2.gz BWUODAOKHYVBJB-UHFFFAOYSA-N 0 0 198.291 1.621 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]12CS[C@H](C)C2 307001736 345744389 /nfs/dbraw/zinc/74/43/89/345744389.db2.gz AMHPRIQPFMWEKO-BHNWBGBOSA-N 0 0 185.292 1.264 10 0 ADAERN CNc1nsnc1-c1ccns1 307001544 345744403 /nfs/dbraw/zinc/74/44/03/345744403.db2.gz CAXSKSPJVOLZHT-UHFFFAOYSA-N 0 0 198.276 1.703 10 0 ADAERN O=C1CC[C@@H](Cc2cnsn2)C1 307001742 345744411 /nfs/dbraw/zinc/74/44/11/345744411.db2.gz AMKHAAIEWDNMCE-LURJTMIESA-N 0 0 182.248 1.450 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CS[C@H](C)C2 307001739 345744450 /nfs/dbraw/zinc/74/44/50/345744450.db2.gz AMHPRIQPFMWEKO-ZXFLCMHBSA-N 0 0 185.292 1.264 10 0 ADAERN Cn1cc([C@]2(O)CCC[C@H]3C[C@H]32)cn1 307001911 345744481 /nfs/dbraw/zinc/74/44/81/345744481.db2.gz BCXJQNPPGZITBX-JMJZKYOTSA-N 0 0 192.262 1.428 10 0 ADAERN C[C@@H]1C[C@]2(CNC(=O)[C@@H]2C)CS1 307001738 345744512 /nfs/dbraw/zinc/74/45/12/345744512.db2.gz AMHPRIQPFMWEKO-FJXKBIBVSA-N 0 0 185.292 1.264 10 0 ADAERN C[C@@H]1C[C@@]2(CNC(=O)[C@@H]2C)CS1 307001737 345744560 /nfs/dbraw/zinc/74/45/60/345744560.db2.gz AMHPRIQPFMWEKO-BKPPORCPSA-N 0 0 185.292 1.264 10 0 ADAERN Cc1cnc([C@@H]2NCCS2)s1 307002485 345744811 /nfs/dbraw/zinc/74/48/11/345744811.db2.gz CDYDFDNTKHAMRR-ZCFIWIBFSA-N 0 0 186.305 1.787 10 0 ADAERN CCn1ncnc1-c1cnc(N)s1 307002308 345744825 /nfs/dbraw/zinc/74/48/25/345744825.db2.gz CLSJVEUKDQGGTA-UHFFFAOYSA-N 0 0 195.251 1.004 10 0 ADAERN Cc1cnc([C@H]2NCCS2)s1 307002484 345744851 /nfs/dbraw/zinc/74/48/51/345744851.db2.gz CDYDFDNTKHAMRR-LURJTMIESA-N 0 0 186.305 1.787 10 0 ADAERN Cc1c(Cl)ccc(CNN)c1F 307002292 345744925 /nfs/dbraw/zinc/74/49/25/345744925.db2.gz CLIQZTSSFVPXPO-UHFFFAOYSA-N 0 0 188.633 1.751 10 0 ADAERN Cc1nc(NCC2(F)CC2)nn1C 307002500 345744928 /nfs/dbraw/zinc/74/49/28/345744928.db2.gz CFKKWUKWFQEKCZ-UHFFFAOYSA-N 0 0 184.218 1.038 10 0 ADAERN Cc1ccnc(NC2CSC2)c1 307002827 345745105 /nfs/dbraw/zinc/74/51/05/345745105.db2.gz CMWDTMGFIJQRRW-UHFFFAOYSA-N 0 0 180.276 1.917 10 0 ADAERN Cc1cc(F)c(F)c2c1OC[C@@H]2O 307003327 345745308 /nfs/dbraw/zinc/74/53/08/345745308.db2.gz CXTCZEFQDFLWBP-LURJTMIESA-N 0 0 186.157 1.699 10 0 ADAERN CCNC(=O)c1[nH]c(C)c(C)c1C 307002915 345745424 /nfs/dbraw/zinc/74/54/24/345745424.db2.gz CTCACFSXFORUKF-UHFFFAOYSA-N 0 0 180.251 1.690 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1C1CCCC1 307002918 345745426 /nfs/dbraw/zinc/74/54/26/345745426.db2.gz BOQXMRZQOPWVNF-WEDXCCLWSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)(CO)Sc1ccc(N)nc1 307004172 345746185 /nfs/dbraw/zinc/74/61/85/345746185.db2.gz CLIFXEMFDSRGQO-UHFFFAOYSA-N 0 0 198.291 1.527 10 0 ADAERN Cc1ncsc1C(=O)N1CC[C@H]1C 307004559 345746195 /nfs/dbraw/zinc/74/61/95/345746195.db2.gz DQFGBDOSUQCXGX-ZCFIWIBFSA-N 0 0 196.275 1.686 10 0 ADAERN FCCNc1cnc(Cl)cn1 307004189 345746260 /nfs/dbraw/zinc/74/62/60/345746260.db2.gz JKCXWSXJHGEKQF-UHFFFAOYSA-N 0 0 175.594 1.511 10 0 ADAERN Cc1ncsc1C(=O)N1CC[C@@H]1C 307004558 345746284 /nfs/dbraw/zinc/74/62/84/345746284.db2.gz DQFGBDOSUQCXGX-LURJTMIESA-N 0 0 196.275 1.686 10 0 ADAERN Cc1cc[n+]([O-])c(N2CCCC2)c1 307004652 345746388 /nfs/dbraw/zinc/74/63/88/345746388.db2.gz DTKZRBRADSJVKY-UHFFFAOYSA-N 0 0 178.235 1.229 10 0 ADAERN Cc1sc(COC(C)C)nc1N 307004367 345746396 /nfs/dbraw/zinc/74/63/96/345746396.db2.gz DGGVTYDTAKOMIG-UHFFFAOYSA-N 0 0 186.280 1.959 10 0 ADAERN CCSC/C=C/C(=O)OC 307004390 345746397 /nfs/dbraw/zinc/74/63/97/345746397.db2.gz DYWXUDCRLOYZEM-SNAWJCMRSA-N 0 0 160.238 1.469 10 0 ADAERN CCC(=O)N[C@H](C)C(F)F 307005354 345746466 /nfs/dbraw/zinc/74/64/66/345746466.db2.gz DWSSEETYYIRMCY-SCSAIBSYSA-N 0 0 151.156 1.166 10 0 ADAERN C[C@H](NC(=O)C1CC=CC1)C1CC1 307005466 345746470 /nfs/dbraw/zinc/74/64/70/345746470.db2.gz DZWIOEKBGWYVRN-QMMMGPOBSA-N 0 0 179.263 1.867 10 0 ADAERN Cc1cc(C)c(O)c(N[S@@](C)=O)c1 307005024 345746518 /nfs/dbraw/zinc/74/65/18/345746518.db2.gz JWGBLEGWSBUYKB-CYBMUJFWSA-N 0 0 199.275 1.714 10 0 ADAERN C/C=C/CNc1ncc(F)cn1 307005460 345746666 /nfs/dbraw/zinc/74/66/66/345746666.db2.gz DZRZVPMUKCJYNQ-NSCUHMNNSA-N 0 0 167.187 1.604 10 0 ADAERN C[C@@H]1C[C@H](NN)c2ccccc21 307005211 345746845 /nfs/dbraw/zinc/74/68/45/345746845.db2.gz FAKHVSLYZDQAKH-XCBNKYQSSA-N 0 0 162.236 1.698 10 0 ADAERN C[C@@H]1C[C@@H](NN)c2ccccc21 307005206 345746866 /nfs/dbraw/zinc/74/68/66/345746866.db2.gz FAKHVSLYZDQAKH-GMSGAONNSA-N 0 0 162.236 1.698 10 0 ADAERN Cc1cc(C)c(O)c(N[S@](C)=O)c1 307005025 345746947 /nfs/dbraw/zinc/74/69/47/345746947.db2.gz JWGBLEGWSBUYKB-ZDUSSCGKSA-N 0 0 199.275 1.714 10 0 ADAERN C[C@H]1C[C@@H](NN)c2ccccc21 307005209 345746961 /nfs/dbraw/zinc/74/69/61/345746961.db2.gz FAKHVSLYZDQAKH-OIBJUYFYSA-N 0 0 162.236 1.698 10 0 ADAERN C[C@H]1C[C@H](NN)c2ccccc21 307005214 345746990 /nfs/dbraw/zinc/74/69/90/345746990.db2.gz FAKHVSLYZDQAKH-XVKPBYJWSA-N 0 0 162.236 1.698 10 0 ADAERN CCC(=O)N[C@@H](C)C(F)F 307005353 345746996 /nfs/dbraw/zinc/74/69/96/345746996.db2.gz DWSSEETYYIRMCY-BYPYZUCNSA-N 0 0 151.156 1.166 10 0 ADAERN FCCNc1nccnc1Cl 307005727 345747153 /nfs/dbraw/zinc/74/71/53/345747153.db2.gz FCDNPWOHHCJOGO-UHFFFAOYSA-N 0 0 175.594 1.511 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@@]1(C)COC 307005828 345747213 /nfs/dbraw/zinc/74/72/13/345747213.db2.gz FQIVLRGMEXLNQB-OYNCUSHFSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@]1(C)COC 307005824 345747219 /nfs/dbraw/zinc/74/72/19/345747219.db2.gz FQIVLRGMEXLNQB-NRPADANISA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@@]1(C)COC 307005822 345747232 /nfs/dbraw/zinc/74/72/32/345747232.db2.gz FQIVLRGMEXLNQB-KHQFGBGNSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@@]1(C)C[C@H]1NC(=S)NC 307005584 345747260 /nfs/dbraw/zinc/74/72/60/345747260.db2.gz FMLSDOVGCAPMQW-SVRRBLITSA-N 0 0 172.297 1.269 10 0 ADAERN CC[C@]1(C)C[C@H]1NC(=S)NC 307005579 345747313 /nfs/dbraw/zinc/74/73/13/345747313.db2.gz FMLSDOVGCAPMQW-HTRCEHHLSA-N 0 0 172.297 1.269 10 0 ADAERN C[C@@H](C(F)F)n1cc[nH]c1=O 307005838 345747343 /nfs/dbraw/zinc/74/73/43/345747343.db2.gz FKAHYBQKOPKSGO-BYPYZUCNSA-N 0 0 162.139 1.003 10 0 ADAERN C[C@H](C(F)F)n1cc[nH]c1=O 307005843 345747345 /nfs/dbraw/zinc/74/73/45/345747345.db2.gz FKAHYBQKOPKSGO-SCSAIBSYSA-N 0 0 162.139 1.003 10 0 ADAERN CCC(C)(C)C(=O)Nc1csnn1 307005829 345747365 /nfs/dbraw/zinc/74/73/65/345747365.db2.gz FJNUEGAMINVJAM-UHFFFAOYSA-N 0 0 199.279 1.913 10 0 ADAERN CC[C@]1(C)C[C@@H]1NC(=S)NC 307005582 345747416 /nfs/dbraw/zinc/74/74/16/345747416.db2.gz FMLSDOVGCAPMQW-POYBYMJQSA-N 0 0 172.297 1.269 10 0 ADAERN CCNC(=O)N[C@@H]1[C@H]2CCCC[C@H]21 307005804 345747422 /nfs/dbraw/zinc/74/74/22/345747422.db2.gz FELHDQAZXDALRJ-BRPSZJMVSA-N 0 0 182.267 1.494 10 0 ADAERN CC1(C)CC(n2cnc(N)n2)C1 307006183 345747429 /nfs/dbraw/zinc/74/74/29/345747429.db2.gz KSQYRHMSDGZULE-UHFFFAOYSA-N 0 0 166.228 1.221 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@]1(C)COC 307005834 345747441 /nfs/dbraw/zinc/74/74/41/345747441.db2.gz FQIVLRGMEXLNQB-WEDXCCLWSA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@@]1(C)C[C@@H]1NC(=S)NC 307005585 345747505 /nfs/dbraw/zinc/74/75/05/345747505.db2.gz FMLSDOVGCAPMQW-XPUUQOCRSA-N 0 0 172.297 1.269 10 0 ADAERN C[C@@H]1CSC[C@]12[C@H](C)NC(=O)[C@H]2C 307006854 345747791 /nfs/dbraw/zinc/74/77/91/345747791.db2.gz GEYARLGTJYROGB-ODXREFDESA-N 0 0 199.319 1.510 10 0 ADAERN C[C@@H]1CSC[C@]12[C@@H](C)NC(=O)[C@@H]2C 307006853 345747959 /nfs/dbraw/zinc/74/79/59/345747959.db2.gz GEYARLGTJYROGB-JIOCBJNQSA-N 0 0 199.319 1.510 10 0 ADAERN Cc1cscc1NC=O 307006908 345747990 /nfs/dbraw/zinc/74/79/90/345747990.db2.gz GIKOXSFRULOJHV-UHFFFAOYSA-N 0 0 141.195 1.625 10 0 ADAERN CN(C)c1ccc(NC#N)cn1 307006505 345748030 /nfs/dbraw/zinc/74/80/30/345748030.db2.gz GBWRPJWTYSRMGH-UHFFFAOYSA-N 0 0 162.196 1.041 10 0 ADAERN C[C@@H]1CSC[C@@]12[C@H](C)C(=O)N[C@@H]2C 307006852 345748050 /nfs/dbraw/zinc/74/80/50/345748050.db2.gz GEYARLGTJYROGB-DQUBFYRCSA-N 0 0 199.319 1.510 10 0 ADAERN CON(C)Cc1ccc(F)cn1 307007097 345748069 /nfs/dbraw/zinc/74/80/69/345748069.db2.gz GOHRJAKXHNBIOI-UHFFFAOYSA-N 0 0 170.187 1.214 10 0 ADAERN N[C@H](C[NH+]1CCCC1)c1ccsn1 307006859 345748073 /nfs/dbraw/zinc/74/80/73/345748073.db2.gz GFKJYNXWPLESSW-MRVPVSSYSA-N 0 0 197.307 1.239 10 0 ADAERN N[C@@H](C[NH+]1CCCC1)c1ccsn1 307006860 345748104 /nfs/dbraw/zinc/74/81/04/345748104.db2.gz GFKJYNXWPLESSW-QMMMGPOBSA-N 0 0 197.307 1.239 10 0 ADAERN Nc1cc(N2CCC3(CC3)C2)sn1 307007826 345748248 /nfs/dbraw/zinc/74/82/48/345748248.db2.gz HBKSOHVDTQIYJF-UHFFFAOYSA-N 0 0 195.291 1.716 10 0 ADAERN CCNn1ncc2ccc(O)cc21 307007889 345748294 /nfs/dbraw/zinc/74/82/94/345748294.db2.gz MAGZZDCTUCHKCD-UHFFFAOYSA-N 0 0 177.207 1.305 10 0 ADAERN C[C@H](Nc1cncc(N)n1)C(F)F 307007713 345748368 /nfs/dbraw/zinc/74/83/68/345748368.db2.gz GWDDJTYFXOXARR-BYPYZUCNSA-N 0 0 188.181 1.124 10 0 ADAERN C[C@@H](Nc1cncc(N)n1)C(F)F 307007715 345748555 /nfs/dbraw/zinc/74/85/55/345748555.db2.gz GWDDJTYFXOXARR-SCSAIBSYSA-N 0 0 188.181 1.124 10 0 ADAERN CNC(=O)N(C)C[C@@H]1CC=CCC1 307007583 345748559 /nfs/dbraw/zinc/74/85/59/345748559.db2.gz GRMUPKXWEBEVBU-SECBINFHSA-N 0 0 182.267 1.614 10 0 ADAERN CNC(=O)N(C)C[C@H]1CC=CCC1 307007586 345748663 /nfs/dbraw/zinc/74/86/63/345748663.db2.gz GRMUPKXWEBEVBU-VIFPVBQESA-N 0 0 182.267 1.614 10 0 ADAERN Cc1cc(-c2noc(N)n2)cs1 307007512 345748700 /nfs/dbraw/zinc/74/87/00/345748700.db2.gz GFTXSDHFGSSSEZ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1nc(F)cc(Br)n1 307008389 345748880 /nfs/dbraw/zinc/74/88/80/345748880.db2.gz MILAGFODUZLDRV-UHFFFAOYSA-N 0 0 191.003 1.687 10 0 ADAERN CC1(CC(=O)c2nc[nH]n2)CCC1 307008400 345748920 /nfs/dbraw/zinc/74/89/20/345748920.db2.gz HIAZJIKJENRBJS-UHFFFAOYSA-N 0 0 179.223 1.568 10 0 ADAERN C[NH2+][C@@H](C)C(=O)Nc1cscc1C 307008342 345749021 /nfs/dbraw/zinc/74/90/21/345749021.db2.gz HFYFYJJQSRJQNQ-ZETCQYMHSA-N 0 0 198.291 1.603 10 0 ADAERN CC1(C[C@H]2CCNC2=O)CCC1 307008860 345749064 /nfs/dbraw/zinc/74/90/64/345749064.db2.gz HSJMZWKUNWSRCZ-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@H]1CC(=O)CCN1[C@H](C)C(F)F 307008181 345749071 /nfs/dbraw/zinc/74/90/71/345749071.db2.gz GZHJEEDJRGLEJO-NKWVEPMBSA-N 0 0 191.221 1.693 10 0 ADAERN CC1(C[C@@H]2CCNC2=O)CCC1 307008862 345749126 /nfs/dbraw/zinc/74/91/26/345749126.db2.gz HSJMZWKUNWSRCZ-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@@H]1CC(=O)CCN1[C@H](C)C(F)F 307008182 345749137 /nfs/dbraw/zinc/74/91/37/345749137.db2.gz GZHJEEDJRGLEJO-RNFRBKRXSA-N 0 0 191.221 1.693 10 0 ADAERN C[C@@H](C(F)F)N1CCC(=O)C[C@H]1C 307008183 345749147 /nfs/dbraw/zinc/74/91/47/345749147.db2.gz GZHJEEDJRGLEJO-RQJHMYQMSA-N 0 0 191.221 1.693 10 0 ADAERN CCNc1nc(N)c2sccc2n1 307008611 345749165 /nfs/dbraw/zinc/74/91/65/345749165.db2.gz HQGPZMBMEYUPJF-UHFFFAOYSA-N 0 0 194.263 1.705 10 0 ADAERN Nc1cc(F)ncc1C(F)(F)F 307009343 345749494 /nfs/dbraw/zinc/74/94/94/345749494.db2.gz MWDMOTAXICKKIQ-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN Cc1cc[n+]([O-])c(NCC2CC2)c1 307009413 345749564 /nfs/dbraw/zinc/74/95/64/345749564.db2.gz IAWHFAZZZANPNC-UHFFFAOYSA-N 0 0 178.235 1.450 10 0 ADAERN Cc1cscc1Nc1nnc(N)o1 307009378 345749692 /nfs/dbraw/zinc/74/96/92/345749692.db2.gz HZWSARMRQSOADM-UHFFFAOYSA-N 0 0 196.235 1.765 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@@]1(C)C1CC1 307010002 345750105 /nfs/dbraw/zinc/75/01/05/345750105.db2.gz IZTPRKOLWATRJL-HDBBIHSSSA-N 0 0 181.279 1.947 10 0 ADAERN C/C=C(/C)CNc1cnn(C)c1 307010254 345750126 /nfs/dbraw/zinc/75/01/26/345750126.db2.gz IPVPLSNSARHMOT-YWEYNIOJSA-N 0 0 165.240 1.798 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@@]1(C)C1CC1 307009998 345750127 /nfs/dbraw/zinc/75/01/27/345750127.db2.gz IZTPRKOLWATRJL-ARENWVFISA-N 0 0 181.279 1.947 10 0 ADAERN Cn1ccc(C(=O)C(C)(F)F)n1 307010099 345750133 /nfs/dbraw/zinc/75/01/33/345750133.db2.gz JEEFATKGODOIPX-UHFFFAOYSA-N 0 0 174.150 1.258 10 0 ADAERN NC(=S)N[C@@H]1[C@H]2CCCC[C@H]21 307009806 345750134 /nfs/dbraw/zinc/75/01/34/345750134.db2.gz IHVUOPUKUYKVHR-ZMONIFLSSA-N 0 0 170.281 1.008 10 0 ADAERN CCc1c[nH]c(N2CC[C@@H](C)C2)n1 307009542 345750161 /nfs/dbraw/zinc/75/01/61/345750161.db2.gz IOXJDOYZIBQXAV-MRVPVSSYSA-N 0 0 179.267 1.818 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@]1(C)C1CC1 307010008 345750170 /nfs/dbraw/zinc/75/01/70/345750170.db2.gz IZTPRKOLWATRJL-POZPLHJXSA-N 0 0 181.279 1.947 10 0 ADAERN CCc1c[nH]c(N2CC[C@H](C)C2)n1 307009543 345750191 /nfs/dbraw/zinc/75/01/91/345750191.db2.gz IOXJDOYZIBQXAV-QMMMGPOBSA-N 0 0 179.267 1.818 10 0 ADAERN CC1(F)CN(C(=O)CC2CCC2)C1 307009992 345750215 /nfs/dbraw/zinc/75/02/15/345750215.db2.gz IMDLOFZDTJHXJH-UHFFFAOYSA-N 0 0 185.242 1.747 10 0 ADAERN Cc1cscc1N1CCC(=O)C1 307009917 345750231 /nfs/dbraw/zinc/75/02/31/345750231.db2.gz IJVQKIOKZNBLLZ-UHFFFAOYSA-N 0 0 181.260 1.836 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@]1(C)C1CC1 307010005 345750262 /nfs/dbraw/zinc/75/02/62/345750262.db2.gz IZTPRKOLWATRJL-OVYXKVPISA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@H]1c1cncs1 307010879 345750498 /nfs/dbraw/zinc/75/04/98/345750498.db2.gz KKIPDCOBCXWFIY-VMHSAVOQSA-N 0 0 196.275 1.381 10 0 ADAERN Nc1ncc(-c2ccns2)cn1 307010464 345750541 /nfs/dbraw/zinc/75/05/41/345750541.db2.gz JSQJCAJZTCGTQT-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN N#CNC[C@H]1CCCC1(F)F 307010986 345750545 /nfs/dbraw/zinc/75/05/45/345750545.db2.gz JHSVVBWXIQYNEY-ZCFIWIBFSA-N 0 0 160.167 1.492 10 0 ADAERN C[C@H]1CC[C@@]1(CC(=O)[O-])[NH+](C)C 307010517 345750584 /nfs/dbraw/zinc/75/05/84/345750584.db2.gz IXEZPHKNBHVFDW-CBAPKCEASA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@H]1c1cncs1 307010878 345750598 /nfs/dbraw/zinc/75/05/98/345750598.db2.gz KKIPDCOBCXWFIY-HAFWLYHUSA-N 0 0 196.275 1.381 10 0 ADAERN NC(=S)CC[C@H]1CCOC1 307010813 345750600 /nfs/dbraw/zinc/75/06/00/345750600.db2.gz KEKUUZGXRWCHQI-LURJTMIESA-N 0 0 159.254 1.089 10 0 ADAERN N#CNC[C@@H]1CCCC1(F)F 307010985 345750604 /nfs/dbraw/zinc/75/06/04/345750604.db2.gz JHSVVBWXIQYNEY-LURJTMIESA-N 0 0 160.167 1.492 10 0 ADAERN C[C@@H]1CC[C@]1(CC(=O)[O-])[NH+](C)C 307010519 345750610 /nfs/dbraw/zinc/75/06/10/345750610.db2.gz IXEZPHKNBHVFDW-VXNVDRBHSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1c1cncs1 307010877 345750622 /nfs/dbraw/zinc/75/06/22/345750622.db2.gz KKIPDCOBCXWFIY-GKROBHDKSA-N 0 0 196.275 1.381 10 0 ADAERN C[C@@H]1CC[C@@]1(CC(=O)[O-])[NH+](C)C 307010516 345750654 /nfs/dbraw/zinc/75/06/54/345750654.db2.gz IXEZPHKNBHVFDW-APPZFPTMSA-N 0 0 171.240 1.191 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1c1cncs1 307010876 345750659 /nfs/dbraw/zinc/75/06/59/345750659.db2.gz KKIPDCOBCXWFIY-CHKWXVPMSA-N 0 0 196.275 1.381 10 0 ADAERN C[C@H](Nc1cnc(N)cn1)C(F)F 307010262 345750692 /nfs/dbraw/zinc/75/06/92/345750692.db2.gz IPZLPWURWAJYPO-BYPYZUCNSA-N 0 0 188.181 1.124 10 0 ADAERN NC(=S)CC[C@@H]1CCOC1 307010814 345750703 /nfs/dbraw/zinc/75/07/03/345750703.db2.gz KEKUUZGXRWCHQI-ZCFIWIBFSA-N 0 0 159.254 1.089 10 0 ADAERN C[C@H]1CC[C@]1(CC(=O)[O-])[NH+](C)C 307010518 345750707 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/nfs/dbraw/zinc/75/43/14/345754314.db2.gz OMJHTESOUTZBFW-CRCLSJGQSA-N 0 0 194.250 1.721 10 0 ADAERN Cc1ncccc1C[C@H](C)[C@@H](C)O 307016228 345754340 /nfs/dbraw/zinc/75/43/40/345754340.db2.gz REJABZQTWBCBSM-WCBMZHEXSA-N 0 0 179.263 1.949 10 0 ADAERN CC1(C)C[C@H]1[C@]1(C)OC(=O)N=C1N 307015660 345754355 /nfs/dbraw/zinc/75/43/55/345754355.db2.gz QJLKKMLCERSTNS-ANLVUFKYSA-N 0 0 182.223 1.299 10 0 ADAERN C[C@@H]1CN=C(N[C@H](C)C(F)F)S1 307016130 345754367 /nfs/dbraw/zinc/75/43/67/345754367.db2.gz OMJHTESOUTZBFW-RFZPGFLSSA-N 0 0 194.250 1.721 10 0 ADAERN C[C@]1(n2cc[nH]c2=O)CC=CCC1 307015669 345754381 /nfs/dbraw/zinc/75/43/81/345754381.db2.gz QJQWDWGVADFIQJ-JTQLQIEISA-N 0 0 178.235 1.632 10 0 ADAERN COc1c(F)cc(N)c(F)c1F 307016178 345754389 /nfs/dbraw/zinc/75/43/89/345754389.db2.gz QXUMKGULARGDRL-UHFFFAOYSA-N 0 0 177.125 1.695 10 0 ADAERN Cc1ncccc1C[C@H](C)[C@H](C)O 307016229 345754393 /nfs/dbraw/zinc/75/43/93/345754393.db2.gz REJABZQTWBCBSM-WPRPVWTQSA-N 0 0 179.263 1.949 10 0 ADAERN C[C@@]1(n2cc[nH]c2=O)CC=CCC1 307015670 345754454 /nfs/dbraw/zinc/75/44/54/345754454.db2.gz QJQWDWGVADFIQJ-SNVBAGLBSA-N 0 0 178.235 1.632 10 0 ADAERN NN[C@H](c1ccc[nH]1)C(F)(F)F 307015896 345754465 /nfs/dbraw/zinc/75/44/65/345754465.db2.gz OEKXJGUQUBZSMZ-RXMQYKEDSA-N 0 0 179.145 1.081 10 0 ADAERN CC1(C)C[C@H]1c1cc(C=O)[nH]n1 307015707 345754471 /nfs/dbraw/zinc/75/44/71/345754471.db2.gz QNHCMUDHEWSDPN-ZETCQYMHSA-N 0 0 164.208 1.736 10 0 ADAERN Cc1cc(C(=O)OC2CC2)ns1 307015594 345754513 /nfs/dbraw/zinc/75/45/13/345754513.db2.gz NZUXRWWGJWZOMA-UHFFFAOYSA-N 0 0 183.232 1.771 10 0 ADAERN CC1(C)C[C@@H]1c1cc(C=O)[nH]n1 307015706 345754525 /nfs/dbraw/zinc/75/45/25/345754525.db2.gz QNHCMUDHEWSDPN-SSDOTTSWSA-N 0 0 164.208 1.736 10 0 ADAERN CC[C@@]1(C)C[C@@H]1N1CN=NC1=S 307016013 345754551 /nfs/dbraw/zinc/75/45/51/345754551.db2.gz QQHFCSBPBQTPOJ-XPUUQOCRSA-N 0 0 183.280 1.928 10 0 ADAERN CC1(C)C[C@@H]1[C@@]1(C)OC(=O)N=C1N 307015663 345754593 /nfs/dbraw/zinc/75/45/93/345754593.db2.gz 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/nfs/dbraw/zinc/75/52/52/345755252.db2.gz RVEZXVNAZVJGCR-LURJTMIESA-N 0 0 182.271 1.776 10 0 ADAERN CCn1nccc1N[C@H]1CCSC1 307016846 345755537 /nfs/dbraw/zinc/75/55/37/345755537.db2.gz PKEFPKVCJPMPBC-QMMMGPOBSA-N 0 0 197.307 1.820 10 0 ADAERN CCn1nccc1N[C@@H]1CCSC1 307016844 345755836 /nfs/dbraw/zinc/75/58/36/345755836.db2.gz PKEFPKVCJPMPBC-MRVPVSSYSA-N 0 0 197.307 1.820 10 0 ADAERN O=CN[C@H]1CC12CCCCC2 307017841 345756260 /nfs/dbraw/zinc/75/62/60/345756260.db2.gz QKPIJVYMFIXHGB-QMMMGPOBSA-N 0 0 153.225 1.455 10 0 ADAERN Cc1cscc1NCC(=O)N(C)C 307017829 345756274 /nfs/dbraw/zinc/75/62/74/345756274.db2.gz QJYLVXOPJQIKFN-UHFFFAOYSA-N 0 0 198.291 1.557 10 0 ADAERN N#CNC[C@H]1CCCCC1(F)F 307017740 345756292 /nfs/dbraw/zinc/75/62/92/345756292.db2.gz QFHCXBFXQRQXGL-SSDOTTSWSA-N 0 0 174.194 1.883 10 0 ADAERN O=CN[C@@H]1CC12CCCCC2 307017839 345756356 /nfs/dbraw/zinc/75/63/56/345756356.db2.gz QKPIJVYMFIXHGB-MRVPVSSYSA-N 0 0 153.225 1.455 10 0 ADAERN CO[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 307018527 345756374 /nfs/dbraw/zinc/75/63/74/345756374.db2.gz RBADPYJMILULIG-AEJSXWLSSA-N 0 0 189.274 1.701 10 0 ADAERN CO[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 307018529 345756378 /nfs/dbraw/zinc/75/63/78/345756378.db2.gz RBADPYJMILULIG-BBBLOLIVSA-N 0 0 189.274 1.701 10 0 ADAERN N#CNC[C@@H]1CCCCC1(F)F 307017743 345756390 /nfs/dbraw/zinc/75/63/90/345756390.db2.gz QFHCXBFXQRQXGL-ZETCQYMHSA-N 0 0 174.194 1.883 10 0 ADAERN CO[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 307018533 345756439 /nfs/dbraw/zinc/75/64/39/345756439.db2.gz RBADPYJMILULIG-OPRDCNLKSA-N 0 0 189.274 1.701 10 0 ADAERN C=CC(=O)N[C@@H]1[C@H]2CCCC[C@H]21 307018408 345756458 /nfs/dbraw/zinc/75/64/58/345756458.db2.gz WZBJQMUWOXZTGC-MBTKJCJQSA-N 0 0 165.236 1.477 10 0 ADAERN CC1(C)CCN(C(=O)[C@@H]2CCO2)C1 307018071 345756459 /nfs/dbraw/zinc/75/64/59/345756459.db2.gz QMZOKHLQGHLOFA-QMMMGPOBSA-N 0 0 183.251 1.034 10 0 ADAERN CC1(C)C[N@@H+](C2CC2)CCO1 307018491 345756485 /nfs/dbraw/zinc/75/64/85/345756485.db2.gz RABGSJHXWKVXLB-UHFFFAOYSA-N 0 0 155.241 1.260 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cccnn1 307018921 345756710 /nfs/dbraw/zinc/75/67/10/345756710.db2.gz RIDVMBQHOLAJHK-YUMQZZPRSA-N 0 0 163.224 1.687 10 0 ADAERN O=C1CCO[C@]2(CC[C@H]3C[C@H]32)C1 307018864 345756771 /nfs/dbraw/zinc/75/67/71/345756771.db2.gz RGKVKGLZHCZCEX-FXBDTBDDSA-N 0 0 166.220 1.535 10 0 ADAERN O=c1[nH]ccn1CC1=CCCCC1 307019200 345756851 /nfs/dbraw/zinc/75/68/51/345756851.db2.gz XZEJAXGNQXKLRL-UHFFFAOYSA-N 0 0 178.235 1.677 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cccnn1 307018918 345756854 /nfs/dbraw/zinc/75/68/54/345756854.db2.gz RIDVMBQHOLAJHK-SFYZADRCSA-N 0 0 163.224 1.687 10 0 ADAERN COCCNc1ccc(F)nc1 307019220 345756902 /nfs/dbraw/zinc/75/69/02/345756902.db2.gz RTISHJPYQGYBAW-UHFFFAOYSA-N 0 0 170.187 1.279 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cccnn1 307018912 345756980 /nfs/dbraw/zinc/75/69/80/345756980.db2.gz RIDVMBQHOLAJHK-HTQZYQBOSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@H](Nc1nc(N)ns1)C(F)F 307018590 345756987 /nfs/dbraw/zinc/75/69/87/345756987.db2.gz RCFMNJSANXHOQQ-REOHCLBHSA-N 0 0 194.210 1.186 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cccnn1 307018915 345757019 /nfs/dbraw/zinc/75/70/19/345757019.db2.gz RIDVMBQHOLAJHK-JGVFFNPUSA-N 0 0 163.224 1.687 10 0 ADAERN CONC(=O)/C=C/c1nc(C)cs1 307019267 345757049 /nfs/dbraw/zinc/75/70/49/345757049.db2.gz RYBFZPJCEPFPNB-ONEGZZNKSA-N 0 0 198.247 1.142 10 0 ADAERN O=C1CCO[C@]2(CC[C@@H]3C[C@@H]32)C1 307018860 345757057 /nfs/dbraw/zinc/75/70/57/345757057.db2.gz RGKVKGLZHCZCEX-FKTZTGRPSA-N 0 0 166.220 1.535 10 0 ADAERN C[C@@H](Nc1nc(N)ns1)C(F)F 307018592 345757086 /nfs/dbraw/zinc/75/70/86/345757086.db2.gz RCFMNJSANXHOQQ-UWTATZPHSA-N 0 0 194.210 1.186 10 0 ADAERN Clc1noc(-c2ccncn2)n1 307019509 345757308 /nfs/dbraw/zinc/75/73/08/345757308.db2.gz YHRJZHLCIJDJOO-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN CC(C)N[C@H](C)c1csnn1 307019889 345757338 /nfs/dbraw/zinc/75/73/38/345757338.db2.gz VWKYCBRIZXHOKW-ZCFIWIBFSA-N 0 0 171.269 1.597 10 0 ADAERN C[C@H](Nc1cc(N)ns1)C(F)F 307019298 345757345 /nfs/dbraw/zinc/75/73/45/345757345.db2.gz SAVLRALQZNPTTG-VKHMYHEASA-N 0 0 193.222 1.791 10 0 ADAERN Nc1ncccc1-c1ccsn1 307019681 345757453 /nfs/dbraw/zinc/75/74/53/345757453.db2.gz VJNVVYDGFXIRLX-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1cc(F)cc(C(N)=O)c1C 307019373 345757478 /nfs/dbraw/zinc/75/74/78/345757478.db2.gz UXUUBQRPBIWIID-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN CC(C)N[C@@H](C)c1csnn1 307019888 345757504 /nfs/dbraw/zinc/75/75/04/345757504.db2.gz VWKYCBRIZXHOKW-LURJTMIESA-N 0 0 171.269 1.597 10 0 ADAERN CC(=O)O[C@@H](C)[C@@H]1CCCO1 307020545 345757942 /nfs/dbraw/zinc/75/79/42/345757942.db2.gz TWUYHQWVWDHHIY-XPUUQOCRSA-N 0 0 158.197 1.117 10 0 ADAERN CCNC(=O)C1=CCCC1(C)C 307020503 345757961 /nfs/dbraw/zinc/75/79/61/345757961.db2.gz SZMOGKKNCKSUEF-UHFFFAOYSA-N 0 0 167.252 1.869 10 0 ADAERN Nc1cnc2[nH]c(C(F)F)nc2c1 307020150 345757985 /nfs/dbraw/zinc/75/79/85/345757985.db2.gz WEICNUDIAFLBKP-UHFFFAOYSA-N 0 0 184.149 1.478 10 0 ADAERN CC/C=C/C(=O)Nn1cccc1 307020201 345757992 /nfs/dbraw/zinc/75/79/92/345757992.db2.gz SRGAXVAMUZQNRT-ZZXKWVIFSA-N 0 0 164.208 1.524 10 0 ADAERN CC(C)NC(=O)N[C@@H](C)C(F)F 307020086 345757994 /nfs/dbraw/zinc/75/79/94/345757994.db2.gz SQBHZMQPSQVKKB-YFKPBYRVSA-N 0 0 180.198 1.348 10 0 ADAERN CC(C)NC(=O)N[C@H](C)C(F)F 307020085 345758053 /nfs/dbraw/zinc/75/80/53/345758053.db2.gz SQBHZMQPSQVKKB-RXMQYKEDSA-N 0 0 180.198 1.348 10 0 ADAERN CC(=O)O[C@@H](C)[C@H]1CCCO1 307020544 345758121 /nfs/dbraw/zinc/75/81/21/345758121.db2.gz TWUYHQWVWDHHIY-POYBYMJQSA-N 0 0 158.197 1.117 10 0 ADAERN Cc1cocc1[C@H](N)c1csnn1 307021125 345758415 /nfs/dbraw/zinc/75/84/15/345758415.db2.gz BYNWRJVOFKGYNQ-QMMMGPOBSA-N 0 0 195.247 1.488 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]12CCCC2(C)C 307021008 345758457 /nfs/dbraw/zinc/75/84/57/345758457.db2.gz ASLAAYVIPSBEJZ-KCJUWKMLSA-N 0 0 181.279 1.949 10 0 ADAERN CN[C@@H](c1ccns1)C(F)F 307021355 345758464 /nfs/dbraw/zinc/75/84/64/345758464.db2.gz AWHLRIPNQRUHDJ-YFKPBYRVSA-N 0 0 178.207 1.669 10 0 ADAERN C[C@H](Nc1cccc(F)n1)[C@@H](C)O 307021862 345758470 /nfs/dbraw/zinc/75/84/70/345758470.db2.gz ULRNMWVHRXUDEZ-NKWVEPMBSA-N 0 0 184.214 1.402 10 0 ADAERN Cc1ncncc1C(=O)C1CC1 307021372 345758483 /nfs/dbraw/zinc/75/84/83/345758483.db2.gz AWYUHPCCEMUZHM-UHFFFAOYSA-N 0 0 162.192 1.378 10 0 ADAERN C[C@H]1C(=O)NC[C@@]12CCCC2(C)C 307021019 345758502 /nfs/dbraw/zinc/75/85/02/345758502.db2.gz ASLAAYVIPSBEJZ-KWQFWETISA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1cccc(F)n1 307021873 345758519 /nfs/dbraw/zinc/75/85/19/345758519.db2.gz ULRNMWVHRXUDEZ-RQJHMYQMSA-N 0 0 184.214 1.402 10 0 ADAERN O=C1CCN(C/C=C/Cl)C1 307020840 345758558 /nfs/dbraw/zinc/75/85/58/345758558.db2.gz AQWFBWUQBQRFDR-HNQUOIGGSA-N 0 0 159.616 1.014 10 0 ADAERN CC1CC(N(C)Cc2nc[nH]n2)C1 307021260 345758600 /nfs/dbraw/zinc/75/86/00/345758600.db2.gz UEZOYQBEFQPTSG-UHFFFAOYSA-N 0 0 180.255 1.035 10 0 ADAERN Cc1cocc1[C@@H](N)c1csnn1 307021123 345758633 /nfs/dbraw/zinc/75/86/33/345758633.db2.gz BYNWRJVOFKGYNQ-MRVPVSSYSA-N 0 0 195.247 1.488 10 0 ADAERN CN[C@H](c1ccns1)C(F)F 307021350 345758643 /nfs/dbraw/zinc/75/86/43/345758643.db2.gz AWHLRIPNQRUHDJ-RXMQYKEDSA-N 0 0 178.207 1.669 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1cccc(F)n1 307021868 345758685 /nfs/dbraw/zinc/75/86/85/345758685.db2.gz ULRNMWVHRXUDEZ-RNFRBKRXSA-N 0 0 184.214 1.402 10 0 ADAERN C[C@H](O)[C@H](C)Nc1cccc(F)n1 307021857 345758761 /nfs/dbraw/zinc/75/87/61/345758761.db2.gz ULRNMWVHRXUDEZ-BQBZGAKWSA-N 0 0 184.214 1.402 10 0 ADAERN O=C(c1cn[nH]c1)c1ccsn1 307022379 345759108 /nfs/dbraw/zinc/75/91/08/345759108.db2.gz XKYIDRWWVPZEMQ-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN C[C@H](Nc1ncns1)C(C)(C)O 307022197 345759190 /nfs/dbraw/zinc/75/91/90/345759190.db2.gz GQGUJQHFYVFYNG-YFKPBYRVSA-N 0 0 187.268 1.109 10 0 ADAERN C[C@@H](Nc1ncns1)C(C)(C)O 307022192 345759317 /nfs/dbraw/zinc/75/93/17/345759317.db2.gz GQGUJQHFYVFYNG-RXMQYKEDSA-N 0 0 187.268 1.109 10 0 ADAERN CC1CCN(C(=O)N2CCC2)CC1 307022995 345759669 /nfs/dbraw/zinc/75/96/69/345759669.db2.gz VGTBVRUKYHELNU-UHFFFAOYSA-N 0 0 182.267 1.544 10 0 ADAERN C[C@@H]1C[C@@]2(COC(=O)N2)[C@@H]1C 307022930 345759673 /nfs/dbraw/zinc/75/96/73/345759673.db2.gz DOVQJWLIXZCVST-ATRFCDNQSA-N 0 0 155.197 1.141 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]12COC(=O)N2 307022932 345759702 /nfs/dbraw/zinc/75/97/02/345759702.db2.gz DOVQJWLIXZCVST-GKROBHDKSA-N 0 0 155.197 1.141 10 0 ADAERN CC(C)c1nccc(NCCF)n1 307022981 345759876 /nfs/dbraw/zinc/75/98/76/345759876.db2.gz VEUULWDKLRUEHJ-UHFFFAOYSA-N 0 0 183.230 1.981 10 0 ADAERN C[C@@H]1C[C@]2(COC(=O)N2)[C@@H]1C 307022934 345759915 /nfs/dbraw/zinc/75/99/15/345759915.db2.gz DOVQJWLIXZCVST-JKMUOGBPSA-N 0 0 155.197 1.141 10 0 ADAERN C[C@H]1[C@H](C)C[C@]12COC(=O)N2 307022931 345759937 /nfs/dbraw/zinc/75/99/37/345759937.db2.gz DOVQJWLIXZCVST-CHKWXVPMSA-N 0 0 155.197 1.141 10 0 ADAERN CCc1noc([C@H]2CC[C@H](O)C2)n1 307024046 345760219 /nfs/dbraw/zinc/76/02/19/345760219.db2.gz VTNBEWUMVDMFRK-BQBZGAKWSA-N 0 0 182.223 1.260 10 0 ADAERN CC[C@H](N)C(=O)c1ccns1 307023432 345760235 /nfs/dbraw/zinc/76/02/35/345760235.db2.gz XWYVNIDRYCPIFK-YFKPBYRVSA-N 0 0 170.237 1.063 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)C1=COCC1 307023688 345760268 /nfs/dbraw/zinc/76/02/68/345760268.db2.gz VQJFJYYHDINYHS-CBAPKCEASA-N 0 0 181.235 1.205 10 0 ADAERN C[C@@H](Nc1nccnc1N)C(F)F 307024230 345760286 /nfs/dbraw/zinc/76/02/86/345760286.db2.gz VXGRGUMASIPJBK-SCSAIBSYSA-N 0 0 188.181 1.124 10 0 ADAERN C[C@H](Nc1nccnc1N)C(F)F 307024227 345760307 /nfs/dbraw/zinc/76/03/07/345760307.db2.gz VXGRGUMASIPJBK-BYPYZUCNSA-N 0 0 188.181 1.124 10 0 ADAERN COc1cccc(N2CCC2)c1N 307024177 345760331 /nfs/dbraw/zinc/76/03/31/345760331.db2.gz VWJXFLZCZIYQCX-UHFFFAOYSA-N 0 0 178.235 1.488 10 0 ADAERN CCc1noc([C@@H]2CC[C@@H](O)C2)n1 307024063 345760343 /nfs/dbraw/zinc/76/03/43/345760343.db2.gz VTNBEWUMVDMFRK-RNFRBKRXSA-N 0 0 182.223 1.260 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)C1=COCC1 307023693 345760357 /nfs/dbraw/zinc/76/03/57/345760357.db2.gz VQJFJYYHDINYHS-VXNVDRBHSA-N 0 0 181.235 1.205 10 0 ADAERN CC[C@@H](N)C(=O)c1ccns1 307023431 345760399 /nfs/dbraw/zinc/76/03/99/345760399.db2.gz XWYVNIDRYCPIFK-RXMQYKEDSA-N 0 0 170.237 1.063 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)C1=COCC1 307023689 345760468 /nfs/dbraw/zinc/76/04/68/345760468.db2.gz VQJFJYYHDINYHS-IONNQARKSA-N 0 0 181.235 1.205 10 0 ADAERN CCc1noc([C@H]2CC[C@@H](O)C2)n1 307024055 345760526 /nfs/dbraw/zinc/76/05/26/345760526.db2.gz VTNBEWUMVDMFRK-NKWVEPMBSA-N 0 0 182.223 1.260 10 0 ADAERN CCc1noc([C@@H]2CC[C@H](O)C2)n1 307024070 345760537 /nfs/dbraw/zinc/76/05/37/345760537.db2.gz VTNBEWUMVDMFRK-RQJHMYQMSA-N 0 0 182.223 1.260 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)C1=COCC1 307023685 345760546 /nfs/dbraw/zinc/76/05/46/345760546.db2.gz VQJFJYYHDINYHS-APPZFPTMSA-N 0 0 181.235 1.205 10 0 ADAERN CC[C@@H](c1ccn(C)n1)N1CCC1 307024472 345760905 /nfs/dbraw/zinc/76/09/05/345760905.db2.gz WFOQRGRRQLCRPY-JTQLQIEISA-N 0 0 179.267 1.577 10 0 ADAERN CC[C@H](c1ccn(C)n1)N1CCC1 307024473 345760912 /nfs/dbraw/zinc/76/09/12/345760912.db2.gz WFOQRGRRQLCRPY-SNVBAGLBSA-N 0 0 179.267 1.577 10 0 ADAERN Cn1cc(C(=O)c2cccs2)nn1 307024550 345761166 /nfs/dbraw/zinc/76/11/66/345761166.db2.gz WHWKLSQHJWBZHS-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN Cc1c(-c2ccns2)nc[nH]c1=O 307024788 345761186 /nfs/dbraw/zinc/76/11/86/345761186.db2.gz ZLKDLBHMBSEOCQ-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN Cc1cc(-c2cncc(=O)[nH]2)sn1 307024589 345761199 /nfs/dbraw/zinc/76/11/99/345761199.db2.gz ZATLXEZMASETBX-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC(C)C(=O)Cc1cnsn1 307024935 345761538 /nfs/dbraw/zinc/76/15/38/345761538.db2.gz ZMZAVLYXEJTFGE-UHFFFAOYSA-N 0 0 170.237 1.306 10 0 ADAERN CN(C1=NC(=O)CS1)C1CCC1 307025192 345761553 /nfs/dbraw/zinc/76/15/53/345761553.db2.gz GWQGNQHNMZAGRO-UHFFFAOYSA-N 0 0 184.264 1.837 10 0 ADAERN FC(F)CN[C@@H]1CC12CCOCC2 307024860 345761658 /nfs/dbraw/zinc/76/16/58/345761658.db2.gz WRXVNFDTMAYQLI-SSDOTTSWSA-N 0 0 191.221 1.410 10 0 ADAERN FC(F)CN[C@H]1CC12CCOCC2 307024861 345761787 /nfs/dbraw/zinc/76/17/87/345761787.db2.gz WRXVNFDTMAYQLI-ZETCQYMHSA-N 0 0 191.221 1.410 10 0 ADAERN CNC(=S)N1CCCC12CCC2 307024875 345761864 /nfs/dbraw/zinc/76/18/64/345761864.db2.gz WTTQNMNIWLETBN-UHFFFAOYSA-N 0 0 184.308 1.509 10 0 ADAERN C[C@@H](c1ncon1)n1cc[nH]c1=S 307024946 345761872 /nfs/dbraw/zinc/76/18/72/345761872.db2.gz ZOCISTIOIUQLHE-YFKPBYRVSA-N 0 0 196.235 1.164 10 0 ADAERN COCCc1cccc2n[nH]cc12 307026074 345762199 /nfs/dbraw/zinc/76/21/99/345762199.db2.gz XUVSOMDCRWGXPE-UHFFFAOYSA-N 0 0 176.219 1.752 10 0 ADAERN Cc1cc(OC(F)F)ncc1N 307025966 345762503 /nfs/dbraw/zinc/76/25/03/345762503.db2.gz IIOPGFDNWRSSBN-UHFFFAOYSA-N 0 0 174.150 1.574 10 0 ADAERN C[C@@H]1OC(=O)N[C@@H]1c1cccc(O)c1 307026041 345762508 /nfs/dbraw/zinc/76/25/08/345762508.db2.gz ITGKWNGGSJMNGV-RCOVLWMOSA-N 0 0 193.202 1.562 10 0 ADAERN C[C@H]1OC(=O)N[C@H]1c1cccc(O)c1 307026038 345762577 /nfs/dbraw/zinc/76/25/77/345762577.db2.gz ITGKWNGGSJMNGV-HZGVNTEJSA-N 0 0 193.202 1.562 10 0 ADAERN CCc1nc(C)c(OC)c(NC)n1 307025644 345762622 /nfs/dbraw/zinc/76/26/22/345762622.db2.gz HPVTWMLRCHDDFS-UHFFFAOYSA-N 0 0 181.239 1.398 10 0 ADAERN C[C@H]([NH3+])c1cncn1[C@@H](C)C(F)F 307026674 345763132 /nfs/dbraw/zinc/76/31/32/345763132.db2.gz YSBNLVKDOCRMLR-WDSKDSINSA-N 0 0 189.209 1.729 10 0 ADAERN Cc1c([C@@H]([NH3+])c2ccc[nH]2)cnn1C 307026727 345762767 /nfs/dbraw/zinc/76/27/67/345762767.db2.gz KHNUYTBCESRZBG-SNVBAGLBSA-N 0 0 190.250 1.105 10 0 ADAERN CCCc1nsc(N2CCCO2)n1 307026298 345763031 /nfs/dbraw/zinc/76/30/31/345763031.db2.gz YCCOMMUGZDOVGI-UHFFFAOYSA-N 0 0 199.279 1.632 10 0 ADAERN N#CNC[C@H]1CCCSC1 307026208 345762791 /nfs/dbraw/zinc/76/27/91/345762791.db2.gz JELKGVASZFTPAF-SSDOTTSWSA-N 0 0 156.254 1.200 10 0 ADAERN COc1cncnc1N[C@H]1C[C@@H]1C 307026775 345762829 /nfs/dbraw/zinc/76/28/29/345762829.db2.gz KNEXSXSTAFCNRM-BQBZGAKWSA-N 0 0 179.223 1.306 10 0 ADAERN C[C@H](CF)Nc1ccnc(Cl)n1 307026282 345762839 /nfs/dbraw/zinc/76/28/39/345762839.db2.gz YABIIATZRBDTOD-RXMQYKEDSA-N 0 0 189.621 1.900 10 0 ADAERN C[C@@H]([NH3+])c1cncn1[C@H](C)C(F)F 307026672 345762853 /nfs/dbraw/zinc/76/28/53/345762853.db2.gz YSBNLVKDOCRMLR-PHDIDXHHSA-N 0 0 189.209 1.729 10 0 ADAERN Cc1c([C@H]([NH3+])c2ccc[nH]2)cnn1C 307026726 345762892 /nfs/dbraw/zinc/76/28/92/345762892.db2.gz KHNUYTBCESRZBG-JTQLQIEISA-N 0 0 190.250 1.105 10 0 ADAERN C[C@]1(C(=O)NC2CCC2)CCCO1 307026643 345762963 /nfs/dbraw/zinc/76/29/63/345762963.db2.gz YOELGVBFYDXFPO-SNVBAGLBSA-N 0 0 183.251 1.224 10 0 ADAERN COc1cncnc1N[C@@H]1C[C@@H]1C 307026776 345762975 /nfs/dbraw/zinc/76/29/75/345762975.db2.gz KNEXSXSTAFCNRM-NKWVEPMBSA-N 0 0 179.223 1.306 10 0 ADAERN COc1cncnc1N[C@@H]1C[C@H]1C 307026777 345763035 /nfs/dbraw/zinc/76/30/35/345763035.db2.gz KNEXSXSTAFCNRM-RNFRBKRXSA-N 0 0 179.223 1.306 10 0 ADAERN Cc1ccsc1-c1n[nH]c(=O)[n-]1 307026429 345763106 /nfs/dbraw/zinc/76/31/06/345763106.db2.gz JUBHEKQQCPFGLK-UHFFFAOYSA-N 0 0 181.220 1.135 10 0 ADAERN N#CNC[C@@H]1CCCSC1 307026209 345763164 /nfs/dbraw/zinc/76/31/64/345763164.db2.gz JELKGVASZFTPAF-ZETCQYMHSA-N 0 0 156.254 1.200 10 0 ADAERN CC(=O)NCC(F)(F)C1CCC1 307026973 345763168 /nfs/dbraw/zinc/76/31/68/345763168.db2.gz YZRLQXTWPMCQPY-UHFFFAOYSA-N 0 0 177.194 1.558 10 0 ADAERN C[C@@H](C(F)F)n1cncc1[C@@H](C)[NH3+] 307026673 345763173 /nfs/dbraw/zinc/76/31/73/345763173.db2.gz YSBNLVKDOCRMLR-RITPCOANSA-N 0 0 189.209 1.729 10 0 ADAERN COc1cncnc1N[C@H]1C[C@H]1C 307026778 345763272 /nfs/dbraw/zinc/76/32/72/345763272.db2.gz KNEXSXSTAFCNRM-RQJHMYQMSA-N 0 0 179.223 1.306 10 0 ADAERN C[C@H]([NH3+])c1cncn1[C@H](C)C(F)F 307026671 345763275 /nfs/dbraw/zinc/76/32/75/345763275.db2.gz YSBNLVKDOCRMLR-NTSWFWBYSA-N 0 0 189.209 1.729 10 0 ADAERN O=C([O-])C[NH2+][C@@H]1CCCC12CCC2 307027019 345763611 /nfs/dbraw/zinc/76/36/11/345763611.db2.gz ZGFLEQNFJKZUHO-MRVPVSSYSA-N 0 0 183.251 1.383 10 0 ADAERN O=C(Nc1cc(Cl)[nH]n1)C(F)F 307027182 345763681 /nfs/dbraw/zinc/76/36/81/345763681.db2.gz ZLFGXCYVYPOVHU-UHFFFAOYSA-N 0 0 195.556 1.267 10 0 ADAERN O=C([O-])C[NH2+][C@H]1CCCC12CCC2 307027020 345763699 /nfs/dbraw/zinc/76/36/99/345763699.db2.gz ZGFLEQNFJKZUHO-QMMMGPOBSA-N 0 0 183.251 1.383 10 0 ADAERN Cc1cscc1NC(N)=S 307027229 345763759 /nfs/dbraw/zinc/76/37/59/345763759.db2.gz ZOMTWSPYOHTLCC-UHFFFAOYSA-N 0 0 172.278 1.712 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1cc(Cl)c[nH]1 307027212 345763823 /nfs/dbraw/zinc/76/38/23/345763823.db2.gz ZNSIOUIBASILQP-CAHLUQPWSA-N 0 0 198.653 1.806 10 0 ADAERN CC/C=C/Cn1cc[nH]c1=O 307027373 345764237 /nfs/dbraw/zinc/76/42/37/345764237.db2.gz IDAREVJGDYKHIV-ONEGZZNKSA-N 0 0 152.197 1.143 10 0 ADAERN CC(C)C[C@H](C)N1C[C@@H](O)CO1 307028469 345764252 /nfs/dbraw/zinc/76/42/52/345764252.db2.gz KXQMYKUHJQYYSE-DTWKUNHWSA-N 0 0 173.256 1.029 10 0 ADAERN C[C@@H]1CC[C@H]([C@H]2NC(=O)C23CCC3)O1 307027712 345764267 /nfs/dbraw/zinc/76/42/67/345764267.db2.gz KBUHMEIRZYEGSV-IWSPIJDZSA-N 0 0 195.262 1.223 10 0 ADAERN CC(C)C[C@@H](C)N1C[C@@H](O)CO1 307028471 345764380 /nfs/dbraw/zinc/76/43/80/345764380.db2.gz KXQMYKUHJQYYSE-RKDXNWHRSA-N 0 0 173.256 1.029 10 0 ADAERN C[C@@H]1CC[C@@H]([C@H]2NC(=O)C23CCC3)O1 307027711 345764388 /nfs/dbraw/zinc/76/43/88/345764388.db2.gz KBUHMEIRZYEGSV-HRDYMLBCSA-N 0 0 195.262 1.223 10 0 ADAERN C[C@@H]1CC[C@@H]([C@@H]2NC(=O)C23CCC3)O1 307027714 345764448 /nfs/dbraw/zinc/76/44/48/345764448.db2.gz KBUHMEIRZYEGSV-VGMNWLOBSA-N 0 0 195.262 1.223 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]2NC(=O)C23CCC3)O1 307027709 345764459 /nfs/dbraw/zinc/76/44/59/345764459.db2.gz KBUHMEIRZYEGSV-HLTSFMKQSA-N 0 0 195.262 1.223 10 0 ADAERN C/C=C/CNc1cc(N)ns1 307027453 345764472 /nfs/dbraw/zinc/76/44/72/345764472.db2.gz IDSVONRHFQRUTB-NSCUHMNNSA-N 0 0 169.253 1.713 10 0 ADAERN C[C@H]1CCCN(C(=O)N2CCC2)C1 307028926 345764803 /nfs/dbraw/zinc/76/48/03/345764803.db2.gz BQTLSNOEOHQWDG-VIFPVBQESA-N 0 0 182.267 1.544 10 0 ADAERN C[C@@H]1CCCN(C(=O)N2CCC2)C1 307028925 345764850 /nfs/dbraw/zinc/76/48/50/345764850.db2.gz BQTLSNOEOHQWDG-SECBINFHSA-N 0 0 182.267 1.544 10 0 ADAERN CCNCc1nnsc1Cl 307029283 345764977 /nfs/dbraw/zinc/76/49/77/345764977.db2.gz IZUKVASCLGAFEW-UHFFFAOYSA-N 0 0 177.660 1.301 10 0 ADAERN CNC(=O)Nc1ccnc(SC)c1 307029260 345765031 /nfs/dbraw/zinc/76/50/31/345765031.db2.gz IYDSXIYQGXVNLX-UHFFFAOYSA-N 0 0 197.263 1.555 10 0 ADAERN Cn1cnnc1C(=O)[C@H]1CC1(C)C 307029405 345765056 /nfs/dbraw/zinc/76/50/56/345765056.db2.gz CFZLWDIYHYHXSU-ZCFIWIBFSA-N 0 0 179.223 1.044 10 0 ADAERN Cn1cnnc1C(=O)[C@@H]1CC1(C)C 307029403 345765060 /nfs/dbraw/zinc/76/50/60/345765060.db2.gz CFZLWDIYHYHXSU-LURJTMIESA-N 0 0 179.223 1.044 10 0 ADAERN CNC(=O)Oc1cc(C)ccc1N 307029308 345765113 /nfs/dbraw/zinc/76/51/13/345765113.db2.gz JCZIHJRHDUPBDS-UHFFFAOYSA-N 0 0 180.207 1.295 10 0 ADAERN Cc1ncc(NCC(C)C)cn1 307029245 345765140 /nfs/dbraw/zinc/76/51/40/345765140.db2.gz IXIKKXGVVVVHAB-UHFFFAOYSA-N 0 0 165.240 1.853 10 0 ADAERN C[C@]1(Cn2cnc(N)n2)CCCS1 307028779 345765193 /nfs/dbraw/zinc/76/51/93/345765193.db2.gz IRLOPCUZHALWGK-MRVPVSSYSA-N 0 0 198.295 1.146 10 0 ADAERN C[C@@]1(Cn2cnc(N)n2)CCCS1 307028780 345765216 /nfs/dbraw/zinc/76/52/16/345765216.db2.gz IRLOPCUZHALWGK-QMMMGPOBSA-N 0 0 198.295 1.146 10 0 ADAERN CC1(C)C(=O)C[C@@H]1c1ccncn1 307029524 345765684 /nfs/dbraw/zinc/76/56/84/345765684.db2.gz MEMUMXYQPDZMFW-SSDOTTSWSA-N 0 0 176.219 1.559 10 0 ADAERN CC1(C)COC[C@H]1N1CN=NC1=S 307029517 345765441 /nfs/dbraw/zinc/76/54/41/345765441.db2.gz CRFVKZNXDVMHDS-ZCFIWIBFSA-N 0 0 199.279 1.164 10 0 ADAERN CC(F)(F)C(=O)c1cncnc1 307029724 345765486 /nfs/dbraw/zinc/76/54/86/345765486.db2.gz ORGWQJJZYWPNJL-UHFFFAOYSA-N 0 0 172.134 1.315 10 0 ADAERN CC1(C)C(=O)C[C@H]1c1ccncn1 307029525 345765524 /nfs/dbraw/zinc/76/55/24/345765524.db2.gz MEMUMXYQPDZMFW-ZETCQYMHSA-N 0 0 176.219 1.559 10 0 ADAERN C[C@H]1Cc2cnc(=O)[nH]c2[C@H](C)C1 307030302 345765601 /nfs/dbraw/zinc/76/56/01/345765601.db2.gz DJUFRMCWEQYVCG-RNFRBKRXSA-N 0 0 178.235 1.868 10 0 ADAERN CCC1(N2C(=S)N=NC2N)CC1 307029914 345765606 /nfs/dbraw/zinc/76/56/06/345765606.db2.gz DBWAWVJCICUDSN-UHFFFAOYSA-N 0 0 184.268 1.048 10 0 ADAERN Cc1ccc(Cl)c(CNN)c1 307029974 345765609 /nfs/dbraw/zinc/76/56/09/345765609.db2.gz MXGOCYHHSLJLFR-UHFFFAOYSA-N 0 0 170.643 1.612 10 0 ADAERN CC[C@H]1CCN1Cc1ncc[nH]1 307029983 345765614 /nfs/dbraw/zinc/76/56/14/345765614.db2.gz MYLBSXMDPQSRRW-QMMMGPOBSA-N 0 0 165.240 1.394 10 0 ADAERN Cc1cnn(C)c1-c1cncc(N)c1 307029808 345765681 /nfs/dbraw/zinc/76/56/81/345765681.db2.gz CSCZBTHWGYARGG-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC[C@@H]1CCN1Cc1ncc[nH]1 307029982 345765707 /nfs/dbraw/zinc/76/57/07/345765707.db2.gz MYLBSXMDPQSRRW-MRVPVSSYSA-N 0 0 165.240 1.394 10 0 ADAERN C[C@@H]1Cc2cnc(=O)[nH]c2[C@H](C)C1 307030301 345765750 /nfs/dbraw/zinc/76/57/50/345765750.db2.gz DJUFRMCWEQYVCG-NKWVEPMBSA-N 0 0 178.235 1.868 10 0 ADAERN CC1(C)COC[C@@H]1N1CN=NC1=S 307029516 345765829 /nfs/dbraw/zinc/76/58/29/345765829.db2.gz CRFVKZNXDVMHDS-LURJTMIESA-N 0 0 199.279 1.164 10 0 ADAERN C[C@@H]1Cc2cnc(=O)[nH]c2[C@@H](C)C1 307030300 345765857 /nfs/dbraw/zinc/76/58/57/345765857.db2.gz DJUFRMCWEQYVCG-BQBZGAKWSA-N 0 0 178.235 1.868 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C[C@@H]1C[C@H]1[C@@]1(C)CNC(=O)C1 307037425 345770094 /nfs/dbraw/zinc/77/00/94/345770094.db2.gz YMLGQUGYYYKAEI-ZXFLCMHBSA-N 0 0 153.225 1.169 10 0 ADAERN Oc1cnc(F)c(C(F)(F)F)c1 307037808 345770404 /nfs/dbraw/zinc/77/04/04/345770404.db2.gz FHKDUWIEXZFXGG-UHFFFAOYSA-N 0 0 181.088 1.945 10 0 ADAERN CCc1c[nH]c(N2CC(C)(C)C2)n1 307037767 345770433 /nfs/dbraw/zinc/77/04/33/345770433.db2.gz FCZGBXJXNFAWGO-UHFFFAOYSA-N 0 0 179.267 1.818 10 0 ADAERN O=C1C[C@]2(CCCC23CCC3)N1 307038026 345770489 /nfs/dbraw/zinc/77/04/89/345770489.db2.gz GRQLDQIXMGCYCB-JTQLQIEISA-N 0 0 165.236 1.599 10 0 ADAERN CON[C@H]1CCCC12CCC2 307037669 345770625 /nfs/dbraw/zinc/77/06/25/345770625.db2.gz ZPNRDOCGVXHEMM-QMMMGPOBSA-N 0 0 155.241 1.860 10 0 ADAERN CC(C)(C(N)=S)c1ccc(N)cc1 307037623 345770639 /nfs/dbraw/zinc/77/06/39/345770639.db2.gz ZKGPXGGPCOQPST-UHFFFAOYSA-N 0 0 194.303 1.833 10 0 ADAERN O=C1C[C@@]2(CCCC23CCC3)N1 307038027 345770707 /nfs/dbraw/zinc/77/07/07/345770707.db2.gz GRQLDQIXMGCYCB-SNVBAGLBSA-N 0 0 165.236 1.599 10 0 ADAERN CON[C@@H]1CCCC12CCC2 307037667 345770711 /nfs/dbraw/zinc/77/07/11/345770711.db2.gz ZPNRDOCGVXHEMM-MRVPVSSYSA-N 0 0 155.241 1.860 10 0 ADAERN CC1(C)CN(N)[C@@H]2CCC[C@@H]21 307038933 345770965 /nfs/dbraw/zinc/77/09/65/345770965.db2.gz PVEDWTRZVGNLLU-JGVFFNPUSA-N 0 0 154.257 1.371 10 0 ADAERN C=CC(=O)NC1(C(C)C)CC1 307039134 345771003 /nfs/dbraw/zinc/77/10/03/345771003.db2.gz IDACPAZXEIKADG-UHFFFAOYSA-N 0 0 153.225 1.477 10 0 ADAERN CC1(C)CN(N)[C@H]2CCC[C@@H]21 307038936 345771027 /nfs/dbraw/zinc/77/10/27/345771027.db2.gz PVEDWTRZVGNLLU-YUMQZZPRSA-N 0 0 154.257 1.371 10 0 ADAERN Fc1cc(N2C[C@H]3C[C@H]3C2)ncn1 307039080 345771048 /nfs/dbraw/zinc/77/10/48/345771048.db2.gz HWFVRBBQURJCDE-KNVOCYPGSA-N 0 0 179.198 1.072 10 0 ADAERN Cc1sccc1-c1nc(CO)c[nH]1 307039184 345771057 /nfs/dbraw/zinc/77/10/57/345771057.db2.gz IVTTZVLSNNQNTD-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN CCc1cc(NC2CSC2)n(C)n1 307038472 345771096 /nfs/dbraw/zinc/77/10/96/345771096.db2.gz PLFKZYVQPGJACJ-UHFFFAOYSA-N 0 0 197.307 1.510 10 0 ADAERN CC1(C)CN(N)[C@H]2CCC[C@H]21 307038934 345771097 /nfs/dbraw/zinc/77/10/97/345771097.db2.gz PVEDWTRZVGNLLU-SFYZADRCSA-N 0 0 154.257 1.371 10 0 ADAERN C[C@H]1CCCc2cnc(=O)[nH]c21 307038832 345771107 /nfs/dbraw/zinc/77/11/07/345771107.db2.gz PPYQQLGSHSLSNC-LURJTMIESA-N 0 0 164.208 1.622 10 0 ADAERN CN[C@H](c1cnccn1)C(C)(F)F 307039027 345771110 /nfs/dbraw/zinc/77/11/10/345771110.db2.gz GVMCWMXQBNJRCR-SSDOTTSWSA-N 0 0 187.193 1.392 10 0 ADAERN CCC1(n2cnnc2Cl)CC1 307038437 345771113 /nfs/dbraw/zinc/77/11/13/345771113.db2.gz PIVTYUNVMYLLRD-UHFFFAOYSA-N 0 0 171.631 1.831 10 0 ADAERN CN[C@@H](c1cnccn1)C(C)(F)F 307039028 345771138 /nfs/dbraw/zinc/77/11/38/345771138.db2.gz GVMCWMXQBNJRCR-ZETCQYMHSA-N 0 0 187.193 1.392 10 0 ADAERN CC1(C)CN(N)[C@@H]2CCC[C@H]21 307038932 345771209 /nfs/dbraw/zinc/77/12/09/345771209.db2.gz PVEDWTRZVGNLLU-HTQZYQBOSA-N 0 0 154.257 1.371 10 0 ADAERN Cc1cc(N(C)C)c(F)cc1N 307038911 345771230 /nfs/dbraw/zinc/77/12/30/345771230.db2.gz IOBSPCXHQRFRKL-UHFFFAOYSA-N 0 0 168.215 1.782 10 0 ADAERN C[C@@H]1CCCc2cnc(=O)[nH]c21 307038834 345771331 /nfs/dbraw/zinc/77/13/31/345771331.db2.gz PPYQQLGSHSLSNC-ZCFIWIBFSA-N 0 0 164.208 1.622 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1cscn1 307039314 345771673 /nfs/dbraw/zinc/77/16/73/345771673.db2.gz QBXRNSWWIQNLRZ-RCOVLWMOSA-N 0 0 197.259 1.751 10 0 ADAERN NN=c1[nH]c([C@@H]2CCCO2)cs1 307039905 345771713 /nfs/dbraw/zinc/77/17/13/345771713.db2.gz LFEYKGIXGFZSMY-LURJTMIESA-N 0 0 185.252 1.280 10 0 ADAERN NN=c1[nH]c([C@H]2CCCO2)cs1 307039906 345771828 /nfs/dbraw/zinc/77/18/28/345771828.db2.gz LFEYKGIXGFZSMY-ZCFIWIBFSA-N 0 0 185.252 1.280 10 0 ADAERN CC1(C)CS[C@H](c2cncnc2)N1 307039607 345771885 /nfs/dbraw/zinc/77/18/85/345771885.db2.gz INAZUHNGKWPZJA-MRVPVSSYSA-N 0 0 195.291 1.590 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC1(C1CC1)C1CC1 307040322 345772126 /nfs/dbraw/zinc/77/21/26/345772126.db2.gz MBUSVWMQTQQFIU-VIFPVBQESA-N 0 0 195.262 1.097 10 0 ADAERN Cc1c(Cl)ncnc1N1CCC1 307040736 345772140 /nfs/dbraw/zinc/77/21/40/345772140.db2.gz MUODWJSEGAHQEM-UHFFFAOYSA-N 0 0 183.642 1.649 10 0 ADAERN C[C@@H](Nc1nncs1)C(C)(F)F 307040520 345772260 /nfs/dbraw/zinc/77/22/60/345772260.db2.gz JLNNUPFEWWZZHM-SCSAIBSYSA-N 0 0 193.222 1.994 10 0 ADAERN CC(F)(F)C(=O)c1cccnc1 307040979 345772283 /nfs/dbraw/zinc/77/22/83/345772283.db2.gz NCXVHPVRIPKOKH-UHFFFAOYSA-N 0 0 171.146 1.920 10 0 ADAERN CCC(=O)CN1CC(C)(C)C1 307041062 345772311 /nfs/dbraw/zinc/77/23/11/345772311.db2.gz NSYFGRRTDWJKOV-UHFFFAOYSA-N 0 0 155.241 1.307 10 0 ADAERN C[C@H](Nc1nncs1)C(C)(F)F 307040519 345772354 /nfs/dbraw/zinc/77/23/54/345772354.db2.gz JLNNUPFEWWZZHM-BYPYZUCNSA-N 0 0 193.222 1.994 10 0 ADAERN C[C@@H]([NH3+])c1ccnc(C2CCC2)n1 307040681 345772372 /nfs/dbraw/zinc/77/23/72/345772372.db2.gz MKGQTMFDVUDVER-SSDOTTSWSA-N 0 0 177.251 1.764 10 0 ADAERN C[C@H]([NH3+])c1ccnc(C2CCC2)n1 307040682 345772379 /nfs/dbraw/zinc/77/23/79/345772379.db2.gz MKGQTMFDVUDVER-ZETCQYMHSA-N 0 0 177.251 1.764 10 0 ADAERN CC(C)CC[C@@H]1C[NH+]=C(N)O1 307040521 345772400 /nfs/dbraw/zinc/77/24/00/345772400.db2.gz JLTLHZHIRRIQDM-SSDOTTSWSA-N 0 0 156.229 1.136 10 0 ADAERN CC(C)CC[C@H]1C[NH+]=C(N)O1 307040522 345772582 /nfs/dbraw/zinc/77/25/82/345772582.db2.gz JLTLHZHIRRIQDM-ZETCQYMHSA-N 0 0 156.229 1.136 10 0 ADAERN Cc1cc(N2CCC2)nc(Cl)n1 307040399 345772587 /nfs/dbraw/zinc/77/25/87/345772587.db2.gz MGJJNUCBFLWLII-UHFFFAOYSA-N 0 0 183.642 1.649 10 0 ADAERN C(=C/c1ccncn1)\c1cn[nH]c1 307041106 345772603 /nfs/dbraw/zinc/77/26/03/345772603.db2.gz RDVVHAAEBVMFKU-OWOJBTEDSA-N 0 0 172.191 1.370 10 0 ADAERN C[C@](O)(c1ccc[nH]1)[C@@H]1CCOC1 307041298 345772745 /nfs/dbraw/zinc/77/27/45/345772745.db2.gz NZJHTBJNVPMSSE-PSASIEDQSA-N 0 0 181.235 1.259 10 0 ADAERN C[C@@](O)(c1ccc[nH]1)[C@@H]1CCOC1 307041299 345772814 /nfs/dbraw/zinc/77/28/14/345772814.db2.gz NZJHTBJNVPMSSE-SCZZXKLOSA-N 0 0 181.235 1.259 10 0 ADAERN NC(=S)NC1CCC(F)(F)CC1 307041235 345772829 /nfs/dbraw/zinc/77/28/29/345772829.db2.gz KJSLNIMGMZEWPK-UHFFFAOYSA-N 0 0 194.250 1.398 10 0 ADAERN C[C@@H]1[C@@H](N2CN=NC2=S)C[C@H]1C 307041583 345772933 /nfs/dbraw/zinc/77/29/33/345772933.db2.gz LEBUCYRIEPQGKV-VQVTYTSYSA-N 0 0 183.280 1.784 10 0 ADAERN C[C@@H]1C[C@@H](N2CN=NC2=S)[C@@H]1C 307041581 345772978 /nfs/dbraw/zinc/77/29/78/345772978.db2.gz LEBUCYRIEPQGKV-FSDSQADBSA-N 0 0 183.280 1.784 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1N1CN=NC1=S 307041580 345773084 /nfs/dbraw/zinc/77/30/84/345773084.db2.gz LEBUCYRIEPQGKV-DSYKOEDSSA-N 0 0 183.280 1.784 10 0 ADAERN C[C@@](O)(c1ccc[nH]1)[C@H]1CCOC1 307041301 345773093 /nfs/dbraw/zinc/77/30/93/345773093.db2.gz NZJHTBJNVPMSSE-WPRPVWTQSA-N 0 0 181.235 1.259 10 0 ADAERN Cc1nc(-c2cc[nH]c(=O)n2)cs1 307041255 345773109 /nfs/dbraw/zinc/77/31/09/345773109.db2.gz KNKNMWULQDYULJ-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@@H]1C[C@H](N2CN=NC2=S)[C@@H]1C 307041582 345773150 /nfs/dbraw/zinc/77/31/50/345773150.db2.gz LEBUCYRIEPQGKV-QYNIQEEDSA-N 0 0 183.280 1.784 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)NC1CC1 307041236 345773184 /nfs/dbraw/zinc/77/31/84/345773184.db2.gz KJTLSSTUPJWXGC-HTRCEHHLSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@](O)(c1ccc[nH]1)[C@H]1CCOC1 307041300 345773285 /nfs/dbraw/zinc/77/32/85/345773285.db2.gz NZJHTBJNVPMSSE-WCBMZHEXSA-N 0 0 181.235 1.259 10 0 ADAERN CCc1c(Cl)ncnc1N1CCC1 307042439 345773361 /nfs/dbraw/zinc/77/33/61/345773361.db2.gz LXKPNLZSRYKHAW-UHFFFAOYSA-N 0 0 197.669 1.903 10 0 ADAERN CC(C)C[C@H](C)[C@H](C)NN 307042396 345773386 /nfs/dbraw/zinc/77/33/86/345773386.db2.gz LRYDBWVYGDRUIO-YUMQZZPRSA-N 0 0 144.262 1.520 10 0 ADAERN CC(C)C[C@@H](C)[C@@H](C)NN 307042393 345773420 /nfs/dbraw/zinc/77/34/20/345773420.db2.gz LRYDBWVYGDRUIO-HTQZYQBOSA-N 0 0 144.262 1.520 10 0 ADAERN C/C=C/C(=O)N[C@H]1COCC1(C)C 307041939 345773466 /nfs/dbraw/zinc/77/34/66/345773466.db2.gz LIKGJUZGCWJBAR-ZJELKQJVSA-N 0 0 183.251 1.104 10 0 ADAERN Cc1cscc1N1CC(=O)CC1=O 307042179 345773533 /nfs/dbraw/zinc/77/35/33/345773533.db2.gz SBIWYVBLYXTECG-UHFFFAOYSA-N 0 0 195.243 1.362 10 0 ADAERN c1n[nH]nc1S[C@@H]1CCCO1 307042161 345773563 /nfs/dbraw/zinc/77/35/63/345773563.db2.gz RZPORXQJRVKZKU-ZCFIWIBFSA-N 0 0 171.225 1.033 10 0 ADAERN C/C=C/C(=O)N[C@@H]1COCC1(C)C 307041937 345773582 /nfs/dbraw/zinc/77/35/82/345773582.db2.gz LIKGJUZGCWJBAR-WTSVBCDHSA-N 0 0 183.251 1.104 10 0 ADAERN Cc1ccc([C@H](N)c2ccc[nH]2)o1 307042072 345773690 /nfs/dbraw/zinc/77/36/90/345773690.db2.gz AQNDFJJPZUAHFG-SNVBAGLBSA-N 0 0 176.219 1.964 10 0 ADAERN Cc1ccc([C@@H](N)c2ccc[nH]2)o1 307042069 345773714 /nfs/dbraw/zinc/77/37/14/345773714.db2.gz AQNDFJJPZUAHFG-JTQLQIEISA-N 0 0 176.219 1.964 10 0 ADAERN CC(C)C[C@H](C)[C@@H](C)NN 307042394 345773747 /nfs/dbraw/zinc/77/37/47/345773747.db2.gz LRYDBWVYGDRUIO-JGVFFNPUSA-N 0 0 144.262 1.520 10 0 ADAERN c1n[nH]nc1S[C@H]1CCCO1 307042160 345773750 /nfs/dbraw/zinc/77/37/50/345773750.db2.gz RZPORXQJRVKZKU-LURJTMIESA-N 0 0 171.225 1.033 10 0 ADAERN CC(C)C[C@@H](C)[C@H](C)NN 307042395 345773756 /nfs/dbraw/zinc/77/37/56/345773756.db2.gz LRYDBWVYGDRUIO-SFYZADRCSA-N 0 0 144.262 1.520 10 0 ADAERN COc1cnc([C@@H]2C[C@@H]2C)nc1N 307042778 345774142 /nfs/dbraw/zinc/77/41/42/345774142.db2.gz CILNRRBJPJMSEH-NTSWFWBYSA-N 0 0 179.223 1.191 10 0 ADAERN COc1cnc([C@H]2C[C@H]2C)nc1N 307042780 345774147 /nfs/dbraw/zinc/77/41/47/345774147.db2.gz CILNRRBJPJMSEH-RITPCOANSA-N 0 0 179.223 1.191 10 0 ADAERN COc1cnc([C@@H]2C[C@H]2C)nc1N 307042779 345774150 /nfs/dbraw/zinc/77/41/50/345774150.db2.gz CILNRRBJPJMSEH-PHDIDXHHSA-N 0 0 179.223 1.191 10 0 ADAERN COc1cnc([C@H]2C[C@@H]2C)nc1N 307042781 345774193 /nfs/dbraw/zinc/77/41/93/345774193.db2.gz CILNRRBJPJMSEH-WDSKDSINSA-N 0 0 179.223 1.191 10 0 ADAERN CC[C@H]([NH3+])c1c(C)cnn1C 307042742 345774203 /nfs/dbraw/zinc/77/42/03/345774203.db2.gz CAYOSFPFVFQDOI-ZETCQYMHSA-N 0 0 153.229 1.138 10 0 ADAERN CC[C@@H]([NH3+])c1c(C)cnn1C 307042741 345774257 /nfs/dbraw/zinc/77/42/57/345774257.db2.gz CAYOSFPFVFQDOI-SSDOTTSWSA-N 0 0 153.229 1.138 10 0 ADAERN CCC(C)(C)c1c(N)[nH]c(=O)n1C 307044484 345774786 /nfs/dbraw/zinc/77/47/86/345774786.db2.gz OBTDGIGESCWGMF-LURJTMIESA-N 0 0 183.255 1.214 10 0 ADAERN CONC(=O)OC1CCCC1 307043542 345774825 /nfs/dbraw/zinc/77/48/25/345774825.db2.gz MYHKXUMCZWWOHS-UHFFFAOYSA-N 0 0 159.185 1.217 10 0 ADAERN Cc1c(N)cccc1C(=O)N1CCC1 307044540 345774834 /nfs/dbraw/zinc/77/48/34/345774834.db2.gz OHUQZGYSAJLWCJ-UHFFFAOYSA-N 0 0 190.246 1.423 10 0 ADAERN CCC(C)(C)c1c(N)[nH]c(=O)n1C 307044485 345774837 /nfs/dbraw/zinc/77/48/37/345774837.db2.gz OBTDGIGESCWGMF-ZCFIWIBFSA-N 0 0 183.255 1.214 10 0 ADAERN CC(C)(C)C[C@@]1(C)COCC(=O)N1 307043605 345774951 /nfs/dbraw/zinc/77/49/51/345774951.db2.gz NCJFDVYQNZHAQX-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)(C)C[C@]1(C)COCC(=O)N1 307043607 345774958 /nfs/dbraw/zinc/77/49/58/345774958.db2.gz NCJFDVYQNZHAQX-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN Cc1cc(C[C@@H]2CCC(=O)N2)cs1 307045240 345775365 /nfs/dbraw/zinc/77/53/65/345775365.db2.gz ZLHZGNRIVWBYPJ-VIFPVBQESA-N 0 0 195.287 1.878 10 0 ADAERN C[C@@H](Nc1cnnn1C)C(F)(F)F 307044923 345775377 /nfs/dbraw/zinc/77/53/77/345775377.db2.gz URHIIEUICTXWND-SCSAIBSYSA-N 0 0 194.160 1.178 10 0 ADAERN C[C@H]([C@H]1COCC(=O)N1)C(C)(C)C 307045432 345775416 /nfs/dbraw/zinc/77/54/16/345775416.db2.gz VOAFWBJYQCQDAE-HTQZYQBOSA-N 0 0 185.267 1.184 10 0 ADAERN CO[C@@H]1CCCN(c2ncc[nH]2)C1 307045131 345775432 /nfs/dbraw/zinc/77/54/32/345775432.db2.gz UURVIPULSZURNE-MRVPVSSYSA-N 0 0 181.239 1.025 10 0 ADAERN CO[C@H]1CCCN(c2ncc[nH]2)C1 307045132 345775474 /nfs/dbraw/zinc/77/54/74/345775474.db2.gz UURVIPULSZURNE-QMMMGPOBSA-N 0 0 181.239 1.025 10 0 ADAERN CSCc1ccc(NN)cc1 307065498 345788864 /nfs/dbraw/zinc/78/88/64/345788864.db2.gz ROBKOIMLYWLYJK-UHFFFAOYSA-N 0 0 168.265 1.835 10 0 ADAERN OCc1nccc(C(F)(F)F)c1F 307044727 345775597 /nfs/dbraw/zinc/77/55/97/345775597.db2.gz XYXFDZMFMJMKOB-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN c1ncc(N[C@@H]2CC[C@@H]3C[C@@H]32)cn1 307044704 345775603 /nfs/dbraw/zinc/77/56/03/345775603.db2.gz XTDWUSRSLLRLOI-FKTZTGRPSA-N 0 0 175.235 1.687 10 0 ADAERN C[C@H](Nc1cnnn1C)C(F)(F)F 307044922 345775654 /nfs/dbraw/zinc/77/56/54/345775654.db2.gz URHIIEUICTXWND-BYPYZUCNSA-N 0 0 194.160 1.178 10 0 ADAERN Cc1cc(C[C@H]2CCC(=O)N2)cs1 307045239 345775681 /nfs/dbraw/zinc/77/56/81/345775681.db2.gz ZLHZGNRIVWBYPJ-SECBINFHSA-N 0 0 195.287 1.878 10 0 ADAERN CC(C)(C)[C@@H](NN)C(C)(F)F 307065196 345788889 /nfs/dbraw/zinc/78/88/89/345788889.db2.gz QULYBZWZQFYWCD-RXMQYKEDSA-N 0 0 166.215 1.520 10 0 ADAERN C[C@@H]([C@@H]1COCC(=O)N1)C(C)(C)C 307045435 345776038 /nfs/dbraw/zinc/77/60/38/345776038.db2.gz VOAFWBJYQCQDAE-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)[S@@](=O)Nc1ncccc1N 307046074 345776073 /nfs/dbraw/zinc/77/60/73/345776073.db2.gz XACDWGMHKJHFPA-CYBMUJFWSA-N 0 0 199.279 1.148 10 0 ADAERN C[C@@H]([C@H]1COCC(=O)N1)C(C)(C)C 307045433 345776148 /nfs/dbraw/zinc/77/61/48/345776148.db2.gz VOAFWBJYQCQDAE-JGVFFNPUSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)[S@](=O)Nc1ncccc1N 307046075 345776172 /nfs/dbraw/zinc/77/61/72/345776172.db2.gz 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307047132 345776811 /nfs/dbraw/zinc/77/68/11/345776811.db2.gz ZRTKFULNCFNHEV-WEDXCCLWSA-N 0 0 180.251 1.500 10 0 ADAERN Cc1[nH]c(=S)[nH]c1[C@H]1CCOC1 307046726 345776890 /nfs/dbraw/zinc/77/68/90/345776890.db2.gz YOAQCGYDBRASPU-LURJTMIESA-N 0 0 184.264 1.885 10 0 ADAERN CC[C@@H]1C[C@H]1[C@H](O)c1ccn(C)n1 307047130 345776969 /nfs/dbraw/zinc/77/69/69/345776969.db2.gz ZRTKFULNCFNHEV-MRTMQBJTSA-N 0 0 180.251 1.500 10 0 ADAERN CC[C@@H]1C[C@@H]1[C@@H](O)c1ccn(C)n1 307047129 345777001 /nfs/dbraw/zinc/77/70/01/345777001.db2.gz ZRTKFULNCFNHEV-KHQFGBGNSA-N 0 0 180.251 1.500 10 0 ADAERN CCC1(C2(O)CC2)CC1 307047580 345777415 /nfs/dbraw/zinc/77/74/15/345777415.db2.gz OPGNWKWNSUHBIK-UHFFFAOYSA-N 0 0 126.199 1.702 10 0 ADAERN Fc1cc(OC(F)F)cnc1F 307047637 345777424 /nfs/dbraw/zinc/77/74/24/345777424.db2.gz IZIPRBUIZJHMPX-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN C[C@H]1CCC[C@@]2(COCC(=O)N2)C1 307048655 345777837 /nfs/dbraw/zinc/77/78/37/345777837.db2.gz PQUIQWPXRPZCCX-WPRPVWTQSA-N 0 0 183.251 1.082 10 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KQEAZCRVEDLQTB-UHFFFAOYSA-N 0 0 186.305 1.352 10 0 ADAERN NC(=O)NC[C@@H]1CCCC1(F)F 307048833 345778122 /nfs/dbraw/zinc/77/81/22/345778122.db2.gz KAZFEWLBWVZHRG-YFKPBYRVSA-N 0 0 178.182 1.090 10 0 ADAERN CC(C)N(O)C[Si](C)(C)C 307049559 345778444 /nfs/dbraw/zinc/77/84/44/345778444.db2.gz CVBQZXAENNDIFX-UHFFFAOYSA-N 0 0 161.321 1.963 10 0 ADAERN c1nsnc1CNC1CCC1 307075431 345795930 /nfs/dbraw/zinc/79/59/30/345795930.db2.gz BZAJJBCJSVNGOM-UHFFFAOYSA-N 0 0 169.253 1.180 10 0 ADAERN CNC(=O)N1CCCC[C@H](C)C1 307050037 345778518 /nfs/dbraw/zinc/77/85/18/345778518.db2.gz HJLDFCDBIIPRFE-QMMMGPOBSA-N 0 0 170.256 1.448 10 0 ADAERN CNC(=O)N1CCCC[C@@H](C)C1 307050036 345778543 /nfs/dbraw/zinc/77/85/43/345778543.db2.gz HJLDFCDBIIPRFE-MRVPVSSYSA-N 0 0 170.256 1.448 10 0 ADAERN CNC(=O)[C@H]1CCCC(C)(C)C1 307049625 345778624 /nfs/dbraw/zinc/77/86/24/345778624.db2.gz GVSPAIDBFSEVBD-QMMMGPOBSA-N 0 0 169.268 1.949 10 0 ADAERN CCNc1noc(C2CC2)n1 307050029 345778734 /nfs/dbraw/zinc/77/87/34/345778734.db2.gz 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/nfs/dbraw/zinc/77/98/17/345779817.db2.gz IVBYZSJBXAFFEH-RXMQYKEDSA-N 0 0 151.165 1.440 10 0 ADAERN CCON[C@H]1CC[C@@H]1C 307052032 345779946 /nfs/dbraw/zinc/77/99/46/345779946.db2.gz UDCMVSXISWJOOE-BQBZGAKWSA-N 0 0 129.203 1.326 10 0 ADAERN CCON[C@@H]1CC[C@H]1C 307052034 345780062 /nfs/dbraw/zinc/78/00/62/345780062.db2.gz UDCMVSXISWJOOE-RNFRBKRXSA-N 0 0 129.203 1.326 10 0 ADAERN CCON[C@H]1CC[C@H]1C 307052035 345780067 /nfs/dbraw/zinc/78/00/67/345780067.db2.gz UDCMVSXISWJOOE-RQJHMYQMSA-N 0 0 129.203 1.326 10 0 ADAERN C[C@H]1CC(=O)c2cnoc2C1 307051471 345780141 /nfs/dbraw/zinc/78/01/41/345780141.db2.gz IVBYZSJBXAFFEH-YFKPBYRVSA-N 0 0 151.165 1.440 10 0 ADAERN Nc1nsc(Nc2ccsc2)n1 307051497 345780190 /nfs/dbraw/zinc/78/01/90/345780190.db2.gz IXSQZRNDNPLEOJ-UHFFFAOYSA-N 0 0 198.276 1.925 10 0 ADAERN CCON[C@@H]1CC[C@@H]1C 307052033 345780250 /nfs/dbraw/zinc/78/02/50/345780250.db2.gz UDCMVSXISWJOOE-NKWVEPMBSA-N 0 0 129.203 1.326 10 0 ADAERN O=c1[nH]nc(C2=CCCCC2)s1 307051851 345780314 /nfs/dbraw/zinc/78/03/14/345780314.db2.gz OAJLQDSGLFNDBM-UHFFFAOYSA-N 0 0 182.248 1.789 10 0 ADAERN C[C@@H]1CCN(c2nc(N)ns2)[C@@H]1C 307053079 345780593 /nfs/dbraw/zinc/78/05/93/345780593.db2.gz VNTKPQQCMJLXJP-PHDIDXHHSA-N 0 0 198.295 1.355 10 0 ADAERN C[C@H]1[C@H](C)CCN1c1nc(N)ns1 307053082 345780538 /nfs/dbraw/zinc/78/05/38/345780538.db2.gz VNTKPQQCMJLXJP-RITPCOANSA-N 0 0 198.295 1.355 10 0 ADAERN CCc1nc(/C=C/CO)cs1 307052963 345780566 /nfs/dbraw/zinc/78/05/66/345780566.db2.gz PEIAGGBSESFKID-ONEGZZNKSA-N 0 0 169.249 1.711 10 0 ADAERN C[C@H]1CCN(c2nc(N)ns2)[C@H]1C 307053084 345780637 /nfs/dbraw/zinc/78/06/37/345780637.db2.gz VNTKPQQCMJLXJP-WDSKDSINSA-N 0 0 198.295 1.355 10 0 ADAERN CC[S@@](=O)Nc1cccc(N)c1C 307052675 345780728 /nfs/dbraw/zinc/78/07/28/345780728.db2.gz UZAXBGNCEKSWQH-CYBMUJFWSA-N 0 0 198.291 1.673 10 0 ADAERN CCn1nncc1NC1(C(C)C)CC1 307052943 345780747 /nfs/dbraw/zinc/78/07/47/345780747.db2.gz PCHWBRFWFWSCML-UHFFFAOYSA-N 0 0 194.282 1.899 10 0 ADAERN C1=C[C@@H]([NH2+]C2COCCOC2)CCC1 307052480 345780758 /nfs/dbraw/zinc/78/07/58/345780758.db2.gz OQHQHXKDXMXJCS-SNVBAGLBSA-N 0 0 197.278 1.100 10 0 ADAERN C1=C[C@H]([NH2+]C2COCCOC2)CCC1 307052478 345780782 /nfs/dbraw/zinc/78/07/82/345780782.db2.gz OQHQHXKDXMXJCS-JTQLQIEISA-N 0 0 197.278 1.100 10 0 ADAERN CC[S@](=O)Nc1cccc(N)c1C 307052680 345780810 /nfs/dbraw/zinc/78/08/10/345780810.db2.gz UZAXBGNCEKSWQH-ZDUSSCGKSA-N 0 0 198.291 1.673 10 0 ADAERN COc1cc(O)c(F)c(F)c1 307052795 345780858 /nfs/dbraw/zinc/78/08/58/345780858.db2.gz OSQFZVCOOUUCSX-UHFFFAOYSA-N 0 0 160.119 1.679 10 0 ADAERN CCN1C(=O)CNC12CCCCC2 307052784 345780881 /nfs/dbraw/zinc/78/08/81/345780881.db2.gz JZVBADJEOHGEDP-UHFFFAOYSA-N 0 0 182.267 1.099 10 0 ADAERN CC(C)N(C)C1=NC(=O)CS1 307054190 345781117 /nfs/dbraw/zinc/78/11/17/345781117.db2.gz WVNNBNGNEXIOCF-UHFFFAOYSA-N 0 0 172.253 1.693 10 0 ADAERN CNc1n[nH]c([C@H]2C[C@H]2C)c1C 307053383 345781131 /nfs/dbraw/zinc/78/11/31/345781131.db2.gz VSLAVBSDRSKESW-VDTYLAMSSA-N 0 0 165.240 1.883 10 0 ADAERN Cc1cnc(NC(=O)C(C)C)c(N)c1 307053958 345781147 /nfs/dbraw/zinc/78/11/47/345781147.db2.gz QKWUGXKJEDBLEG-UHFFFAOYSA-N 0 0 193.250 1.567 10 0 ADAERN Cn1ccc(C2=NC(=O)CS2)n1 307054275 345781205 /nfs/dbraw/zinc/78/12/05/345781205.db2.gz QTRHKBJKTKSKFC-UHFFFAOYSA-N 0 0 181.220 1.249 10 0 ADAERN CNc1n[nH]c([C@H]2C[C@@H]2C)c1C 307053381 345781223 /nfs/dbraw/zinc/78/12/23/345781223.db2.gz VSLAVBSDRSKESW-FSPLSTOPSA-N 0 0 165.240 1.883 10 0 ADAERN COC(=O)Cc1c(C)ccc(C)c1O 307054350 345781239 /nfs/dbraw/zinc/78/12/39/345781239.db2.gz RDOYLOAGTXOYLQ-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN CCC(=O)c1cnc(C)n1C 307053838 345781316 /nfs/dbraw/zinc/78/13/16/345781316.db2.gz WFPQXJJRLJVHGC-UHFFFAOYSA-N 0 0 152.197 1.321 10 0 ADAERN CNc1n[nH]c([C@@H]2C[C@H]2C)c1C 307053382 345781417 /nfs/dbraw/zinc/78/14/17/345781417.db2.gz VSLAVBSDRSKESW-IYSWYEEDSA-N 0 0 165.240 1.883 10 0 ADAERN OCc1cc(C(F)(F)F)ncc1F 307053994 345781426 /nfs/dbraw/zinc/78/14/26/345781426.db2.gz QQIAUHMNUVFNON-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN CNc1n[nH]c([C@@H]2C[C@@H]2C)c1C 307053380 345781437 /nfs/dbraw/zinc/78/14/37/345781437.db2.gz VSLAVBSDRSKESW-CAHLUQPWSA-N 0 0 165.240 1.883 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1n1cc[nH]c1=O 307054805 345781784 /nfs/dbraw/zinc/78/17/84/345781784.db2.gz RWDHDRIFHMVSHQ-GJMOJQLCSA-N 0 0 166.224 1.393 10 0 ADAERN CC[C@H]1CS[C@H](c2nccn2C)N1 307055162 345781793 /nfs/dbraw/zinc/78/17/93/345781793.db2.gz YLTCEFYNNCMTGZ-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN CC1(C)COC[C@@H]1Nc1cnns1 307055447 345781817 /nfs/dbraw/zinc/78/18/17/345781817.db2.gz YYULJLXGCVQHKY-LURJTMIESA-N 0 0 199.279 1.375 10 0 ADAERN C[C@@H]1C[C@@H](n2cc[nH]c2=O)[C@@H]1C 307054802 345781839 /nfs/dbraw/zinc/78/18/39/345781839.db2.gz RWDHDRIFHMVSHQ-BWZBUEFSSA-N 0 0 166.224 1.393 10 0 ADAERN CC1(C)COC[C@H]1Nc1cnns1 307055448 345781870 /nfs/dbraw/zinc/78/18/70/345781870.db2.gz YYULJLXGCVQHKY-ZCFIWIBFSA-N 0 0 199.279 1.375 10 0 ADAERN CC[C@H]1CS[C@@H](c2nccn2C)N1 307055161 345781879 /nfs/dbraw/zinc/78/18/79/345781879.db2.gz YLTCEFYNNCMTGZ-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN CC[C@@H]1CS[C@H](c2nccn2C)N1 307055163 345782032 /nfs/dbraw/zinc/78/20/32/345782032.db2.gz YLTCEFYNNCMTGZ-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN CC(F)(F)[C@H](N)c1cscn1 307055153 345782059 /nfs/dbraw/zinc/78/20/59/345782059.db2.gz YKUOUMMMZMXBRD-RXMQYKEDSA-N 0 0 178.207 1.798 10 0 ADAERN CC(F)(F)[C@@H](N)c1cscn1 307055154 345782081 /nfs/dbraw/zinc/78/20/81/345782081.db2.gz YKUOUMMMZMXBRD-YFKPBYRVSA-N 0 0 178.207 1.798 10 0 ADAERN C[C@@H]1[C@@H](n2cc[nH]c2=O)C[C@H]1C 307054803 345782086 /nfs/dbraw/zinc/78/20/86/345782086.db2.gz RWDHDRIFHMVSHQ-CSMHCCOUSA-N 0 0 166.224 1.393 10 0 ADAERN C[C@@H]1C[C@H](n2cc[nH]c2=O)[C@@H]1C 307054806 345782118 /nfs/dbraw/zinc/78/21/18/345782118.db2.gz RWDHDRIFHMVSHQ-PRJMDXOYSA-N 0 0 166.224 1.393 10 0 ADAERN CC[C@@H]1CS[C@@H](c2nccn2C)N1 307055160 345782122 /nfs/dbraw/zinc/78/21/22/345782122.db2.gz YLTCEFYNNCMTGZ-APPZFPTMSA-N 0 0 197.307 1.534 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C[C@@H]1CC[C@@]2(CNC(=O)[C@@H]2C)C1 307057785 345784000 /nfs/dbraw/zinc/78/40/00/345784000.db2.gz LJGSIQZZOPVXQH-WEDXCCLWSA-N 0 0 167.252 1.559 10 0 ADAERN CC1(C)CC[C@H]1NC(N)=S 307057967 345784035 /nfs/dbraw/zinc/78/40/35/345784035.db2.gz FJPWHATZSOGMGM-RXMQYKEDSA-N 0 0 158.270 1.008 10 0 ADAERN O=C(c1ccns1)[C@H]1CCCOC1 307057818 345784038 /nfs/dbraw/zinc/78/40/38/345784038.db2.gz LKUFJRWKOMBHDQ-ZETCQYMHSA-N 0 0 197.259 1.752 10 0 ADAERN CC1(C)CC[C@@H]1NC(N)=S 307057974 345784046 /nfs/dbraw/zinc/78/40/46/345784046.db2.gz FJPWHATZSOGMGM-YFKPBYRVSA-N 0 0 158.270 1.008 10 0 ADAERN CC1(C)C[C@H](n2nccc2N)CO1 307058475 345784347 /nfs/dbraw/zinc/78/43/47/345784347.db2.gz GCCDKHUZEVSJFL-ZETCQYMHSA-N 0 0 181.239 1.205 10 0 ADAERN Cn1cnc([C@]2(O)C=CCCC2)c1 307058357 345784286 /nfs/dbraw/zinc/78/42/86/345784286.db2.gz FUPPUNZRNZXXEA-JTQLQIEISA-N 0 0 178.235 1.348 10 0 ADAERN O=c1cc(C2=CCCCC2)cn[nH]1 307058228 345784341 /nfs/dbraw/zinc/78/43/41/345784341.db2.gz MAJVGWLJNJBBHF-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/78/50/41/345785041.db2.gz HUADUHNYPJBEBQ-KVSKUHBBSA-N 0 0 126.199 1.413 10 0 in-vitro ADAERN C[C@@H]([C@H]1CC1(C)C)n1cc[nH]c1=O 307059318 345785042 /nfs/dbraw/zinc/78/50/42/345785042.db2.gz HQOMOCYZVXHFNF-JGVFFNPUSA-N 0 0 180.251 1.784 10 0 ADAERN C[C@H]([C@@H]1CC1(C)C)n1cc[nH]c1=O 307059319 345785047 /nfs/dbraw/zinc/78/50/47/345785047.db2.gz HQOMOCYZVXHFNF-SFYZADRCSA-N 0 0 180.251 1.784 10 0 ADAERN C[C@@H]([C@@H]1CC1(C)C)n1cc[nH]c1=O 307059320 345785057 /nfs/dbraw/zinc/78/50/57/345785057.db2.gz HQOMOCYZVXHFNF-YUMQZZPRSA-N 0 0 180.251 1.784 10 0 ADAERN C[S@@](=O)Nc1ccc(C=O)cc1 307059756 345785068 /nfs/dbraw/zinc/78/50/68/345785068.db2.gz CILUBRHSSDZBFH-GFCCVEGCSA-N 0 0 183.232 1.205 10 0 ADAERN C[C@H]([C@H]1CC1(C)C)n1cc[nH]c1=O 307059317 345785091 /nfs/dbraw/zinc/78/50/91/345785091.db2.gz HQOMOCYZVXHFNF-HTQZYQBOSA-N 0 0 180.251 1.784 10 0 ADAERN C[C@H]([C@H]1CNC(=O)CO1)C(C)(C)C 307060122 345785523 /nfs/dbraw/zinc/78/55/23/345785523.db2.gz DALPWMJJSJWHKH-HTQZYQBOSA-N 0 0 185.267 1.184 10 0 ADAERN Cc1nc(N2CCC2)sc1C=O 307060200 345785618 /nfs/dbraw/zinc/78/56/18/345785618.db2.gz JDQSUBYKZQBVNN-UHFFFAOYSA-N 0 0 182.248 1.474 10 0 ADAERN Cc1nnc(-c2c[nH]nc2C)o1 307059959 345785682 /nfs/dbraw/zinc/78/56/82/345785682.db2.gz MXCBEGAAEZIDKT-UHFFFAOYSA-N 0 0 164.168 1.077 10 0 ADAERN C[C@H]([C@@H]1CNC(=O)CO1)C(C)(C)C 307060124 345785709 /nfs/dbraw/zinc/78/57/09/345785709.db2.gz DALPWMJJSJWHKH-SFYZADRCSA-N 0 0 185.267 1.184 10 0 ADAERN O=c1[nH]ccn1[C@H]1C[C@@H]2C[C@@H]2C1 307059870 345785718 /nfs/dbraw/zinc/78/57/18/345785718.db2.gz IHJORZZOGCRMML-RNLVFQAGSA-N 0 0 164.208 1.147 10 0 ADAERN C[C@@H]([C@H]1CNC(=O)CO1)C(C)(C)C 307060123 345785785 /nfs/dbraw/zinc/78/57/85/345785785.db2.gz DALPWMJJSJWHKH-JGVFFNPUSA-N 0 0 185.267 1.184 10 0 ADAERN CCC1(NC(=S)NC)CCCC1 307060097 345785798 /nfs/dbraw/zinc/78/57/98/345785798.db2.gz CXECFNUDDAJUHX-UHFFFAOYSA-N 0 0 186.324 1.803 10 0 ADAERN CNC(=S)N[C@@H]1CC12CCCC2 307061242 345786056 /nfs/dbraw/zinc/78/60/56/345786056.db2.gz FBDFVPHLOAUXGS-SSDOTTSWSA-N 0 0 184.308 1.413 10 0 ADAERN CNC(=S)N[C@H]1CC12CCCC2 307061243 345786072 /nfs/dbraw/zinc/78/60/72/345786072.db2.gz FBDFVPHLOAUXGS-ZETCQYMHSA-N 0 0 184.308 1.413 10 0 ADAERN CNc1nccnc1[C@H](C)OC 307061483 345786208 /nfs/dbraw/zinc/78/62/08/345786208.db2.gz LGNYEJDIKWEJHL-LURJTMIESA-N 0 0 167.212 1.226 10 0 ADAERN Cc1csc([C@H](C)NN)c1 307139559 345833982 /nfs/dbraw/zinc/83/39/82/345833982.db2.gz APQRZPVGFGMPLH-LURJTMIESA-N 0 0 156.254 1.581 10 0 ADAERN CNc1nccnc1[C@@H](C)OC 307061484 345786394 /nfs/dbraw/zinc/78/63/94/345786394.db2.gz LGNYEJDIKWEJHL-ZCFIWIBFSA-N 0 0 167.212 1.226 10 0 ADAERN O[C@]1(Cc2cncs2)CC[C@@H]2C[C@@H]21 307062127 345786873 /nfs/dbraw/zinc/78/68/73/345786873.db2.gz MIDNNQJJGWGYQJ-JEZHCXPESA-N 0 0 195.287 1.847 10 0 ADAERN O[C@]1(Cc2cncs2)CC[C@H]2C[C@H]21 307062129 345786938 /nfs/dbraw/zinc/78/69/38/345786938.db2.gz MIDNNQJJGWGYQJ-SFGNSQDASA-N 0 0 195.287 1.847 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1C1CCC1 307063179 345787630 /nfs/dbraw/zinc/78/76/30/345787630.db2.gz PLSRMODKUGLWLQ-BKPPORCPSA-N 0 0 167.252 1.557 10 0 ADAERN OC1(c2n[nH]c3ccccc23)CC1 307061954 345787088 /nfs/dbraw/zinc/78/70/88/345787088.db2.gz MSEBWUXRZGWOTL-UHFFFAOYSA-N 0 0 174.203 1.544 10 0 ADAERN O=C1CSC(N2C[C@H]3C[C@H]3C2)=N1 307061832 345787175 /nfs/dbraw/zinc/78/71/75/345787175.db2.gz LWWYSSOLISPKJE-OLQVQODUSA-N 0 0 182.248 1.305 10 0 ADAERN Cc1c(C)c2n(c1C)CCNC2=O 307062252 345787187 /nfs/dbraw/zinc/78/71/87/345787187.db2.gz GDNKSVFARUOZCS-UHFFFAOYSA-N 0 0 178.235 1.157 10 0 ADAERN Cc1c[nH]c(=S)n1CCCF 307062237 345787201 /nfs/dbraw/zinc/78/72/01/345787201.db2.gz GCROWVYEADTNRX-UHFFFAOYSA-N 0 0 174.244 1.840 10 0 ADAERN CC(C)=CC(=O)N1CCC(C)(C)C1=O 307061530 345787244 /nfs/dbraw/zinc/78/72/44/345787244.db2.gz OKAZWIPKRDMASF-UHFFFAOYSA-N 0 0 195.262 1.738 10 0 ADAERN CC(C)Cc1ncnc(Cl)c1N 307062284 345787327 /nfs/dbraw/zinc/78/73/27/345787327.db2.gz NJDVLGVRMZPSCR-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN CCNc1nc(N)nc(C(C)C)n1 307062616 345787614 /nfs/dbraw/zinc/78/76/14/345787614.db2.gz MSVVILSWAJPYJI-UHFFFAOYSA-N 0 0 181.243 1.009 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@H]1C1CCC1 307063173 345787692 /nfs/dbraw/zinc/78/76/92/345787692.db2.gz PLSRMODKUGLWLQ-ACLDMZEESA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H]1C[C@@H](C)N1Cc1ccon1 307062537 345787771 /nfs/dbraw/zinc/78/77/71/345787771.db2.gz PDQLWYKWSJUYTB-OCAPTIKFSA-N 0 0 166.224 1.657 10 0 ADAERN C[C@H]1C[C@H](C)N1Cc1ccon1 307062543 345787885 /nfs/dbraw/zinc/78/78/85/345787885.db2.gz PDQLWYKWSJUYTB-YUMQZZPRSA-N 0 0 166.224 1.657 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1C1CCC1 307063186 345787904 /nfs/dbraw/zinc/78/79/04/345787904.db2.gz PLSRMODKUGLWLQ-FJXKBIBVSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@H]1C1CCC1 307063193 345787908 /nfs/dbraw/zinc/78/79/08/345787908.db2.gz PLSRMODKUGLWLQ-ZKWXMUAHSA-N 0 0 167.252 1.557 10 0 ADAERN CN(C)C(=O)c1sccc1F 307063678 345788225 /nfs/dbraw/zinc/78/82/25/345788225.db2.gz PUIPNOPUUIFAEU-UHFFFAOYSA-N 0 0 173.212 1.589 10 0 ADAERN NNC[C@@H]1CCCCC1(F)F 307063674 345788244 /nfs/dbraw/zinc/78/82/44/345788244.db2.gz HLXSHERDZOWOJN-LURJTMIESA-N 0 0 164.199 1.275 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]1(C)[C@H]1CC1(C)C 307063710 345788274 /nfs/dbraw/zinc/78/82/74/345788274.db2.gz QCHBJBBHLSCHNL-DKCNOQQISA-N 0 0 181.279 1.947 10 0 ADAERN NNC[C@H]1CCCCC1(F)F 307063675 345788279 /nfs/dbraw/zinc/78/82/79/345788279.db2.gz HLXSHERDZOWOJN-ZCFIWIBFSA-N 0 0 164.199 1.275 10 0 ADAERN Cn1cc(NCC2=CCCC2)cn1 307064169 345788281 /nfs/dbraw/zinc/78/82/81/345788281.db2.gz PXQLXCCKZNGQHU-UHFFFAOYSA-N 0 0 177.251 1.942 10 0 ADAERN O=C(N[C@@H]1[C@H]2CCCC[C@H]21)C1CC1 307064557 345788508 /nfs/dbraw/zinc/78/85/08/345788508.db2.gz QFOBSIWTXMYJKH-MYJAWHEDSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@@H]1NC(=O)C[C@]1(C)[C@@H]1CC1(C)C 307063712 345788341 /nfs/dbraw/zinc/78/83/41/345788341.db2.gz QCHBJBBHLSCHNL-RNSXUZJQSA-N 0 0 181.279 1.947 10 0 ADAERN Nc1c(Cl)ncnc1-c1ccc[nH]1 307064091 345788394 /nfs/dbraw/zinc/78/83/94/345788394.db2.gz PIRWMZZYCYPHEQ-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]1(C)[C@@H]1CC1(C)C 307063713 345788427 /nfs/dbraw/zinc/78/84/27/345788427.db2.gz QCHBJBBHLSCHNL-VAOFZXAKSA-N 0 0 181.279 1.947 10 0 ADAERN Cc1nc(Cl)ccc1C(=O)N(C)C 307063650 345788482 /nfs/dbraw/zinc/78/84/82/345788482.db2.gz HIXUJPJIWZNKGJ-UHFFFAOYSA-N 0 0 198.653 1.745 10 0 ADAERN C[C@@H]1NC(=O)C[C@]1(C)[C@H]1CC1(C)C 307063711 345788493 /nfs/dbraw/zinc/78/84/93/345788493.db2.gz QCHBJBBHLSCHNL-LAEOZQHASA-N 0 0 181.279 1.947 10 0 ADAERN Cn1c(-c2cncs2)c[nH+]c1N 307064588 345788799 /nfs/dbraw/zinc/78/87/99/345788799.db2.gz HYZNAHWSMNLOLV-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN Clc1ccn(Cc2ccon2)n1 307064622 345788853 /nfs/dbraw/zinc/78/88/53/345788853.db2.gz ICHMCTCBCIHSRB-UHFFFAOYSA-N 0 0 183.598 1.573 10 0 ADAERN CC(C)(C)[C@H](NN)C(C)(F)F 307065202 345788895 /nfs/dbraw/zinc/78/88/95/345788895.db2.gz QULYBZWZQFYWCD-YFKPBYRVSA-N 0 0 166.215 1.520 10 0 ADAERN Nc1cc2c(cc1N)OCCC2 307065403 345789037 /nfs/dbraw/zinc/78/90/37/345789037.db2.gz IUMJDKDYGYSIDN-UHFFFAOYSA-N 0 0 164.208 1.176 10 0 ADAERN FC(F)Oc1ccc(=S)[nH]c1 307167698 345859794 /nfs/dbraw/zinc/85/97/94/345859794.db2.gz SEFSNJCYQZMLDE-UHFFFAOYSA-N 0 0 177.175 1.972 10 0 ADAERN Cc1ccc(N2CCC(=O)C2)nc1 307064722 345789306 /nfs/dbraw/zinc/78/93/06/345789306.db2.gz QRQGNSPOPGMCSE-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN CCON[C@@H]1C[C@@H](C)O[C@@H]1C 307066205 345789377 /nfs/dbraw/zinc/78/93/77/345789377.db2.gz SVIKMTDGROYWPB-BWZBUEFSSA-N 0 0 159.229 1.093 10 0 ADAERN CCON[C@@H]1C[C@H](C)O[C@H]1C 307066204 345789404 /nfs/dbraw/zinc/78/94/04/345789404.db2.gz SVIKMTDGROYWPB-BIIVOSGPSA-N 0 0 159.229 1.093 10 0 ADAERN CCON[C@@H]1C[C@H](C)O[C@@H]1C 307066207 345789662 /nfs/dbraw/zinc/78/96/62/345789662.db2.gz SVIKMTDGROYWPB-XLPZGREQSA-N 0 0 159.229 1.093 10 0 ADAERN CC(C)(O)C(=O)c1ccsn1 307065735 345789719 /nfs/dbraw/zinc/78/97/19/345789719.db2.gz UVADHONGCCSHBR-UHFFFAOYSA-N 0 0 171.221 1.097 10 0 ADAERN CN(c1cc(F)ncn1)C(C)(C)C 307065918 345789794 /nfs/dbraw/zinc/78/97/94/345789794.db2.gz JFPRTJNULBMVLG-UHFFFAOYSA-N 0 0 183.230 1.850 10 0 ADAERN CCON[C@@H]1C[C@@H](C)O[C@H]1C 307066206 345789872 /nfs/dbraw/zinc/78/98/72/345789872.db2.gz SVIKMTDGROYWPB-GJMOJQLCSA-N 0 0 159.229 1.093 10 0 ADAERN CCC(=O)N[C@H]1CCOC1(C)C 307169723 345862388 /nfs/dbraw/zinc/86/23/88/345862388.db2.gz YWVCULPKBVWFIH-ZETCQYMHSA-N 0 0 171.240 1.080 10 0 ADAERN CCC[C@H](C)Nc1ncc(F)c(N)n1 307066429 345790146 /nfs/dbraw/zinc/79/01/46/345790146.db2.gz VYYNWPKQIBPJCG-LURJTMIESA-N 0 0 198.245 1.798 10 0 ADAERN CC(C)OC(=O)c1cc(F)c[nH]1 307066473 345790150 /nfs/dbraw/zinc/79/01/50/345790150.db2.gz WDVRYQHZWJYUCT-UHFFFAOYSA-N 0 0 171.171 1.719 10 0 ADAERN CCC[C@@H](C)Nc1ncc(F)c(N)n1 307066430 345790152 /nfs/dbraw/zinc/79/01/52/345790152.db2.gz VYYNWPKQIBPJCG-ZCFIWIBFSA-N 0 0 198.245 1.798 10 0 ADAERN Cc1cc(N[S@](C)=O)c(C)cc1N 307067801 345790385 /nfs/dbraw/zinc/79/03/85/345790385.db2.gz LPIXRPDWQCNCNH-ZDUSSCGKSA-N 0 0 198.291 1.591 10 0 ADAERN Cc1csc2ccc(=NN)[nH]c12 307067466 345790496 /nfs/dbraw/zinc/79/04/96/345790496.db2.gz KXLLIJWDYJXBIO-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN Cc1cccc(N[S@](C)=O)c1O 307068039 345790521 /nfs/dbraw/zinc/79/05/21/345790521.db2.gz LYWFIMOTMPTWGF-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN C[C@H](Nc1ncc[nH]c1=O)C(F)F 307067553 345790570 /nfs/dbraw/zinc/79/05/70/345790570.db2.gz LGPIWWBXXOOEDT-BYPYZUCNSA-N 0 0 189.165 1.248 10 0 ADAERN Cc1cc(N[S@@](C)=O)c(C)cc1N 307067800 345790633 /nfs/dbraw/zinc/79/06/33/345790633.db2.gz LPIXRPDWQCNCNH-CYBMUJFWSA-N 0 0 198.291 1.591 10 0 ADAERN CSC(C)(C)c1nc(O)c[nH]1 307067290 345790695 /nfs/dbraw/zinc/79/06/95/345790695.db2.gz KSFLBEFIMZWYQY-UHFFFAOYSA-N 0 0 172.253 1.713 10 0 ADAERN C[C@@H](Nc1ncc[nH]c1=O)C(F)F 307067555 345790721 /nfs/dbraw/zinc/79/07/21/345790721.db2.gz LGPIWWBXXOOEDT-SCSAIBSYSA-N 0 0 189.165 1.248 10 0 ADAERN Cn1nccc1CNc1ncco1 307068110 345790815 /nfs/dbraw/zinc/79/08/15/345790815.db2.gz VPJXRILSSZKQMW-UHFFFAOYSA-N 0 0 178.195 1.020 10 0 ADAERN C[C@H]1C[C@H](O)CN(CC(F)(F)F)C1 307068743 345791004 /nfs/dbraw/zinc/79/10/04/345791004.db2.gz XOVAYTCAANAAGO-BQBZGAKWSA-N 0 0 197.200 1.251 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1[C@@]1(C)CCCS1 307068436 345791046 /nfs/dbraw/zinc/79/10/46/345791046.db2.gz WCLYROQLQDJQMN-QXFUBDJGSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1[C@]1(C)CCCS1 307068437 345791186 /nfs/dbraw/zinc/79/11/86/345791186.db2.gz WCLYROQLQDJQMN-XKSSXDPKSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@@]1(C)CCCS1 307068435 345791202 /nfs/dbraw/zinc/79/12/02/345791202.db2.gz WCLYROQLQDJQMN-OYNCUSHFSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1CCNc2cc(F)cnc2N1 307068121 345791230 /nfs/dbraw/zinc/79/12/30/345791230.db2.gz VPYMTBKKITVDLM-ZCFIWIBFSA-N 0 0 181.214 1.837 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@]1(C)CCCS1 307068434 345791261 /nfs/dbraw/zinc/79/12/61/345791261.db2.gz WCLYROQLQDJQMN-NRPADANISA-N 0 0 199.319 1.654 10 0 ADAERN C[C@H]1CCNc2cc(F)cnc2N1 307068119 345791304 /nfs/dbraw/zinc/79/13/04/345791304.db2.gz VPYMTBKKITVDLM-LURJTMIESA-N 0 0 181.214 1.837 10 0 ADAERN CC(C)[C@]1(C)C[C@H]1NC(N)=S 307069214 345791591 /nfs/dbraw/zinc/79/15/91/345791591.db2.gz ZXVAQIFDOLNNIC-SVRRBLITSA-N 0 0 172.297 1.254 10 0 ADAERN CSC[C@@H](O)c1ccsn1 307069609 345791598 /nfs/dbraw/zinc/79/15/98/345791598.db2.gz UFMPWIDTAPYEMY-ZCFIWIBFSA-N 0 0 175.278 1.540 10 0 ADAERN CC(C)[C@@]1(C)C[C@H]1NC(N)=S 307069212 345791637 /nfs/dbraw/zinc/79/16/37/345791637.db2.gz ZXVAQIFDOLNNIC-HTRCEHHLSA-N 0 0 172.297 1.254 10 0 ADAERN CSC[C@H](O)c1ccsn1 307069608 345791646 /nfs/dbraw/zinc/79/16/46/345791646.db2.gz UFMPWIDTAPYEMY-LURJTMIESA-N 0 0 175.278 1.540 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1NC(N)=S 307069213 345791700 /nfs/dbraw/zinc/79/17/00/345791700.db2.gz ZXVAQIFDOLNNIC-POYBYMJQSA-N 0 0 172.297 1.254 10 0 ADAERN O=C1C[C@@]2(CCCC23CCCC3)N1 307069834 345791732 /nfs/dbraw/zinc/79/17/32/345791732.db2.gz URQFWEHBDIICDL-LLVKDONJSA-N 0 0 179.263 1.989 10 0 ADAERN CC1(C)CC2(CNC(=O)O2)C1 307069378 345791781 /nfs/dbraw/zinc/79/17/81/345791781.db2.gz CSWRAUFZZFURIL-UHFFFAOYSA-N 0 0 155.197 1.285 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)C12CC(C)C2 307070784 345792066 /nfs/dbraw/zinc/79/20/66/345792066.db2.gz VVFVAZJJPFSXRS-QMFGVRBNSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)[C@]1(C)C[C@@H]1NC(N)=S 307069215 345791853 /nfs/dbraw/zinc/79/18/53/345791853.db2.gz ZXVAQIFDOLNNIC-XPUUQOCRSA-N 0 0 172.297 1.254 10 0 ADAERN CC/C=C/C(=O)N[C@H]1CCCOC1 307069544 345791863 /nfs/dbraw/zinc/79/18/63/345791863.db2.gz TXSBQOJNDIDFMP-SWTNXBIASA-N 0 0 183.251 1.248 10 0 ADAERN Cc1ccsc1-c1n[nH]c(CO)n1 307070413 345792107 /nfs/dbraw/zinc/79/21/07/345792107.db2.gz FFMQDZDARVUBPE-UHFFFAOYSA-N 0 0 195.247 1.334 10 0 ADAERN Clc1n[nH]c(Cl)c2ncnc1-2 307070274 345792128 /nfs/dbraw/zinc/79/21/28/345792128.db2.gz VINZGTAJUYIHNY-UHFFFAOYSA-N 0 0 189.005 1.611 10 0 ADAERN C/C=C/C(=O)N1C[C@H]2CC=CC[C@H]2C1 307069888 345792136 /nfs/dbraw/zinc/79/21/36/345792136.db2.gz DGQLUMKOANBDSY-ICSGKCHJSA-N 0 0 191.274 1.987 10 0 ADAERN CC[C@H]1NC(=O)[C@H](C)C12CC(C)C2 307070788 345792148 /nfs/dbraw/zinc/79/21/48/345792148.db2.gz VVFVAZJJPFSXRS-UVCIYIGYSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@H](Nc1ncccc1N)C(F)F 307070408 345792157 /nfs/dbraw/zinc/79/21/57/345792157.db2.gz FFFALUHNEMWSHH-YFKPBYRVSA-N 0 0 187.193 1.729 10 0 ADAERN O=C1CSC(Cc2cccnc2)=N1 307070023 345792228 /nfs/dbraw/zinc/79/22/28/345792228.db2.gz VAPWQACKEGGVKJ-UHFFFAOYSA-N 0 0 192.243 1.835 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)C12CC(C)C2 307070780 345792239 /nfs/dbraw/zinc/79/22/39/345792239.db2.gz VVFVAZJJPFSXRS-GWMJWBFUSA-N 0 0 181.279 1.947 10 0 ADAERN COc1cc(F)cc(N)c1F 307070383 345792241 /nfs/dbraw/zinc/79/22/41/345792241.db2.gz FCUSGNDHBZLUSM-UHFFFAOYSA-N 0 0 159.135 1.556 10 0 ADAERN O=C1C[C@]2(CCCC23CCCC3)N1 307069835 345792295 /nfs/dbraw/zinc/79/22/95/345792295.db2.gz URQFWEHBDIICDL-NSHDSACASA-N 0 0 179.263 1.989 10 0 ADAERN C[C@@H](Nc1ncccc1N)C(F)F 307070406 345792321 /nfs/dbraw/zinc/79/23/21/345792321.db2.gz FFFALUHNEMWSHH-RXMQYKEDSA-N 0 0 187.193 1.729 10 0 ADAERN CC(C)(F)[C@H](O)c1ccc[nH]1 307071763 345792691 /nfs/dbraw/zinc/79/26/91/345792691.db2.gz XNTKPHYAGJHLFG-SSDOTTSWSA-N 0 0 157.188 1.796 10 0 ADAERN c1cnc(NCc2cc[nH]c2)cn1 307070838 345792740 /nfs/dbraw/zinc/79/27/40/345792740.db2.gz VZJRAEMOAXXJRX-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN Cc1cc(C)c(NC(N)=O)c(F)c1 307071163 345792905 /nfs/dbraw/zinc/79/29/05/345792905.db2.gz GEXZGPRLZOIGDP-UHFFFAOYSA-N 0 0 182.198 1.933 10 0 ADAERN COc1nccnc1N[C@@H]1C[C@@H]1C 307071042 345792925 /nfs/dbraw/zinc/79/29/25/345792925.db2.gz WIXDPFKBHCLWKO-NKWVEPMBSA-N 0 0 179.223 1.306 10 0 ADAERN COc1nccnc1N[C@H]1C[C@H]1C 307071043 345792936 /nfs/dbraw/zinc/79/29/36/345792936.db2.gz WIXDPFKBHCLWKO-RQJHMYQMSA-N 0 0 179.223 1.306 10 0 ADAERN COc1nccnc1N[C@H]1C[C@@H]1C 307071041 345792961 /nfs/dbraw/zinc/79/29/61/345792961.db2.gz WIXDPFKBHCLWKO-BQBZGAKWSA-N 0 0 179.223 1.306 10 0 ADAERN C[C@]12C=CCC[C@@H]1[C@@H](CO)[C@@H](O)CC2 307072027 345793339 /nfs/dbraw/zinc/79/33/39/345793339.db2.gz YCQOLWOYJHZSMC-WISYIIOYSA-N 0 0 196.290 1.722 10 0 ADAERN CCC1(N2C(=O)CNC2=O)CCCC1 307072350 345793389 /nfs/dbraw/zinc/79/33/89/345793389.db2.gz ICMJBDKSFXISSM-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN O[C@H](c1ccsn1)c1nccs1 307072232 345793516 /nfs/dbraw/zinc/79/35/16/345793516.db2.gz YHFBLAJKGUGDFW-ZCFIWIBFSA-N 0 0 198.272 1.681 10 0 ADAERN Nc1ncn(C[C@H]2CCCCS2)n1 307072660 345793588 /nfs/dbraw/zinc/79/35/88/345793588.db2.gz IRVDUMYZNBRJNL-SSDOTTSWSA-N 0 0 198.295 1.146 10 0 ADAERN Cc1ncc(C2=C[C@H](O)CCC2)n1C 307073224 345793815 /nfs/dbraw/zinc/79/38/15/345793815.db2.gz ZOFCYDNLEIRMCT-SNVBAGLBSA-N 0 0 192.262 1.657 10 0 ADAERN OCc1cc(C(F)(F)F)c(F)cn1 307073217 345793936 /nfs/dbraw/zinc/79/39/36/345793936.db2.gz JKLUQOFENKHSGE-UHFFFAOYSA-N 0 0 195.115 1.732 10 0 ADAERN Cc1ncc(C2=C[C@@H](O)CCC2)n1C 307073218 345793908 /nfs/dbraw/zinc/79/39/08/345793908.db2.gz ZOFCYDNLEIRMCT-JTQLQIEISA-N 0 0 192.262 1.657 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1C[C@@H]1C 307073660 345794004 /nfs/dbraw/zinc/79/40/04/345794004.db2.gz ABZJMLMCQRBGBH-NJGYIYPDSA-N 0 0 159.616 1.264 10 0 ADAERN Cc1nc([C@@H](N)c2ncc[nH]2)cs1 307073161 345794007 /nfs/dbraw/zinc/79/40/07/345794007.db2.gz JGINRYXBOILGIW-SSDOTTSWSA-N 0 0 194.263 1.223 10 0 ADAERN CC1([C@@H]2NC(=S)NC2=O)CCCC1 307072905 345794031 /nfs/dbraw/zinc/79/40/31/345794031.db2.gz IXZYKTVBEHHKOB-ZCFIWIBFSA-N 0 0 198.291 1.351 10 0 ADAERN CC1(C)CC(NC(N)=S)C1 307073214 345794090 /nfs/dbraw/zinc/79/40/90/345794090.db2.gz JKFGEFZYLSIMDQ-UHFFFAOYSA-N 0 0 158.270 1.008 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1C[C@H]1C 307073671 345794091 /nfs/dbraw/zinc/79/40/91/345794091.db2.gz ABZJMLMCQRBGBH-XINAWCOVSA-N 0 0 159.616 1.264 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@H]1C 307073656 345794100 /nfs/dbraw/zinc/79/41/00/345794100.db2.gz ABZJMLMCQRBGBH-INEUFUBQSA-N 0 0 159.616 1.264 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@@H]1C 307073666 345794103 /nfs/dbraw/zinc/79/41/03/345794103.db2.gz ABZJMLMCQRBGBH-UJURSFKZSA-N 0 0 159.616 1.264 10 0 ADAERN CC1([C@H]2NC(=S)NC2=O)CCCC1 307072904 345794120 /nfs/dbraw/zinc/79/41/20/345794120.db2.gz IXZYKTVBEHHKOB-LURJTMIESA-N 0 0 198.291 1.351 10 0 ADAERN Cc1nc([C@H](N)c2ncc[nH]2)cs1 307073162 345794124 /nfs/dbraw/zinc/79/41/24/345794124.db2.gz JGINRYXBOILGIW-ZETCQYMHSA-N 0 0 194.263 1.223 10 0 ADAERN CNC(=[NH2+])c1ccc([O-])c(Cl)c1 307073105 345794152 /nfs/dbraw/zinc/79/41/52/345794152.db2.gz ZJZCYVCUIMDJFB-UHFFFAOYSA-N 0 0 184.626 1.590 10 0 ADAERN CC(=O)c1ccccc1N[S@@](C)=O 307074108 345794366 /nfs/dbraw/zinc/79/43/66/345794366.db2.gz JZMVOICJVWPFEH-CYBMUJFWSA-N 0 0 197.259 1.595 10 0 ADAERN CNC(=O)c1cc2cnccc2o1 307074530 345794378 /nfs/dbraw/zinc/79/43/78/345794378.db2.gz DMQQUORRUAAQLI-UHFFFAOYSA-N 0 0 176.175 1.187 10 0 ADAERN Nc1ccc(N2CC=CC2)cc1N 307074114 345794435 /nfs/dbraw/zinc/79/44/35/345794435.db2.gz JZRQLBMJDINQSV-UHFFFAOYSA-N 0 0 175.235 1.227 10 0 ADAERN C[C@@H](N)c1nnc(C(C)(C)F)o1 307074632 345794484 /nfs/dbraw/zinc/79/44/84/345794484.db2.gz DTCKXIDNFCLELT-SCSAIBSYSA-N 0 0 173.191 1.294 10 0 ADAERN CNc1nncc2ccoc12 307074626 345794518 /nfs/dbraw/zinc/79/45/18/345794518.db2.gz DSKNNTJWYQGLRB-UHFFFAOYSA-N 0 0 149.153 1.265 10 0 ADAERN C[C@H](N)c1nnc(C(C)(C)F)o1 307074630 345794586 /nfs/dbraw/zinc/79/45/86/345794586.db2.gz DTCKXIDNFCLELT-BYPYZUCNSA-N 0 0 173.191 1.294 10 0 ADAERN CNC(=O)N1CCCC2(CCC2)C1 307073978 345794625 /nfs/dbraw/zinc/79/46/25/345794625.db2.gz DHOFRBMLHKKGTI-UHFFFAOYSA-N 0 0 182.267 1.592 10 0 ADAERN CN(C)C(=O)c1cn2ccnc2s1 307073827 345794637 /nfs/dbraw/zinc/79/46/37/345794637.db2.gz MSAXALSNHGBQHK-UHFFFAOYSA-N 0 0 195.247 1.098 10 0 ADAERN CC(=O)c1ccccc1N[S@](C)=O 307074109 345794648 /nfs/dbraw/zinc/79/46/48/345794648.db2.gz JZMVOICJVWPFEH-ZDUSSCGKSA-N 0 0 197.259 1.595 10 0 ADAERN Cc1ccnc(NCCF)n1 307075028 345795031 /nfs/dbraw/zinc/79/50/31/345795031.db2.gz NLYVYNLLZGIECR-UHFFFAOYSA-N 0 0 155.176 1.166 10 0 ADAERN CN(C)C(=O)N1CC2(CC(F)C2)C1 307074687 345795042 /nfs/dbraw/zinc/79/50/42/345795042.db2.gz DVYLLVUTKLVQOY-UHFFFAOYSA-N 0 0 186.230 1.102 10 0 ADAERN CNc1cnc(-c2ccc[nH]2)cn1 307075153 345795114 /nfs/dbraw/zinc/79/51/14/345795114.db2.gz DZMMMUXLEIEXJD-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN CN[C@H](c1cn[nH]c1)c1ccsn1 307074818 345795117 /nfs/dbraw/zinc/79/51/17/345795117.db2.gz BJUHZUMPSMKFRL-MRVPVSSYSA-N 0 0 194.263 1.175 10 0 ADAERN CN[C@@H](c1cn[nH]c1)c1ccsn1 307074820 345795153 /nfs/dbraw/zinc/79/51/53/345795153.db2.gz BJUHZUMPSMKFRL-QMMMGPOBSA-N 0 0 194.263 1.175 10 0 ADAERN CC(C)(NC#N)C(F)(F)F 307074812 345795200 /nfs/dbraw/zinc/79/52/00/345795200.db2.gz KDGAHFLGNLXAOH-UHFFFAOYSA-N 0 0 152.119 1.398 10 0 ADAERN Nc1ncnc(N2CC=CC2)c1Cl 307075038 345795358 /nfs/dbraw/zinc/79/53/58/345795358.db2.gz NMMSKSWYSACSNP-UHFFFAOYSA-N 0 0 196.641 1.088 10 0 ADAERN N[C@@H](c1cnsn1)c1ccns1 307075907 345795685 /nfs/dbraw/zinc/79/56/85/345795685.db2.gz CMURRHLENWIXPA-LURJTMIESA-N 0 0 198.276 1.043 10 0 ADAERN CC[S@@](=O)Nc1cc(C)c(N)cn1 307076348 345795703 /nfs/dbraw/zinc/79/57/03/345795703.db2.gz LHIFUXHSRXBUTI-CYBMUJFWSA-N 0 0 199.279 1.068 10 0 ADAERN CC[S@](=O)Nc1cc(C)c(N)cn1 307076350 345795706 /nfs/dbraw/zinc/79/57/06/345795706.db2.gz LHIFUXHSRXBUTI-ZDUSSCGKSA-N 0 0 199.279 1.068 10 0 ADAERN Cc1cc(NCC2(C)CC2)n(C)n1 307076178 345795769 /nfs/dbraw/zinc/79/57/69/345795769.db2.gz FPHDZPGCQZCHMA-UHFFFAOYSA-N 0 0 179.267 1.941 10 0 ADAERN Nc1csc(C(=O)N2CC=CC2)c1 307076272 345795773 /nfs/dbraw/zinc/79/57/73/345795773.db2.gz KZSZHLRKQKBEAD-UHFFFAOYSA-N 0 0 194.259 1.342 10 0 ADAERN CC[C@H]1CC[N@@H+]1Cc1ccnn1C 307075715 345795813 /nfs/dbraw/zinc/79/58/13/345795813.db2.gz FHEJXQXIDVNEEJ-VIFPVBQESA-N 0 0 179.267 1.404 10 0 ADAERN N[C@H](c1cnsn1)c1ccns1 307075908 345795847 /nfs/dbraw/zinc/79/58/47/345795847.db2.gz CMURRHLENWIXPA-ZCFIWIBFSA-N 0 0 198.276 1.043 10 0 ADAERN Cl/C=C/CN1CCCc2[nH]nnc21 307076315 345795904 /nfs/dbraw/zinc/79/59/04/345795904.db2.gz FRGCWEIKVDSOJW-DUXPYHPUSA-N 0 0 198.657 1.310 10 0 ADAERN C[C@H](C(=O)N(C)C)c1cccnc1 307076166 345795921 /nfs/dbraw/zinc/79/59/21/345795921.db2.gz FONATIPNPSMRJU-QMMMGPOBSA-N 0 0 178.235 1.273 10 0 ADAERN CCN(C)c1ncc(F)cc1N 307076498 345796348 /nfs/dbraw/zinc/79/63/48/345796348.db2.gz CXXQXADNDZIDBA-UHFFFAOYSA-N 0 0 169.203 1.259 10 0 ADAERN c1nn2cc([C@@H]3CCCO3)nc2s1 307077408 345796440 /nfs/dbraw/zinc/79/64/40/345796440.db2.gz PKNBKGCBWJBEOB-ZETCQYMHSA-N 0 0 195.247 1.642 10 0 ADAERN CS[C@@H]1CC[C@H]1Nc1nnc(C)o1 307077177 345796503 /nfs/dbraw/zinc/79/65/03/345796503.db2.gz GEMPDFPUWDJIFL-RNFRBKRXSA-N 0 0 199.279 1.684 10 0 ADAERN CNc1ncc(C(=O)N2CCC2)s1 307077184 345796534 /nfs/dbraw/zinc/79/65/34/345796534.db2.gz GFJRBMUPYLDUOO-UHFFFAOYSA-N 0 0 197.263 1.031 10 0 ADAERN CS[C@H]1CC[C@H]1Nc1nnc(C)o1 307077178 345796612 /nfs/dbraw/zinc/79/66/12/345796612.db2.gz GEMPDFPUWDJIFL-RQJHMYQMSA-N 0 0 199.279 1.684 10 0 ADAERN Cc1cc(C)c(NCCO)c(F)c1 307077189 345796644 /nfs/dbraw/zinc/79/66/44/345796644.db2.gz GGAKYBAYUPMODT-UHFFFAOYSA-N 0 0 183.226 1.847 10 0 ADAERN CC(C)C(C(C)C)[C@@H]1CNC(=O)CO1 307077399 345796649 /nfs/dbraw/zinc/79/66/49/345796649.db2.gz PJKARFGRULXLMX-VIFPVBQESA-N 0 0 199.294 1.430 10 0 ADAERN CS[C@H]1CC[C@@H]1Nc1nnc(C)o1 307077175 345796656 /nfs/dbraw/zinc/79/66/56/345796656.db2.gz GEMPDFPUWDJIFL-BQBZGAKWSA-N 0 0 199.279 1.684 10 0 ADAERN Cc1nn(CN2CCCC2)c(=S)o1 307076568 345796663 /nfs/dbraw/zinc/79/66/63/345796663.db2.gz FWFIOFABHUTKDV-UHFFFAOYSA-N 0 0 199.279 1.567 10 0 ADAERN c1nn2cc([C@H]3CCCO3)nc2s1 307077407 345796677 /nfs/dbraw/zinc/79/66/77/345796677.db2.gz PKNBKGCBWJBEOB-SSDOTTSWSA-N 0 0 195.247 1.642 10 0 ADAERN CC(C)C(C(C)C)[C@H]1CNC(=O)CO1 307077397 345796684 /nfs/dbraw/zinc/79/66/84/345796684.db2.gz PJKARFGRULXLMX-SECBINFHSA-N 0 0 199.294 1.430 10 0 ADAERN OCCSCC1=CCCC1 307077135 345796701 /nfs/dbraw/zinc/79/67/01/345796701.db2.gz DHLYQEFMAKTIBH-UHFFFAOYSA-N 0 0 158.266 1.822 10 0 ADAERN CS[C@@H]1CC[C@@H]1Nc1nnc(C)o1 307077176 345796744 /nfs/dbraw/zinc/79/67/44/345796744.db2.gz GEMPDFPUWDJIFL-NKWVEPMBSA-N 0 0 199.279 1.684 10 0 ADAERN Cc1nc(C)c(F)c(NC2CC2)n1 307078192 345797080 /nfs/dbraw/zinc/79/70/80/345797080.db2.gz QEUAYRDPYDKPJT-UHFFFAOYSA-N 0 0 181.214 1.807 10 0 ADAERN CC[C@H]1CCN1Cc1cocn1 307078383 345796967 /nfs/dbraw/zinc/79/69/67/345796967.db2.gz FDZKJZCOYFPRQM-VIFPVBQESA-N 0 0 166.224 1.659 10 0 ADAERN CC[C@H]1NC(=O)CC12CSC2 307078391 345796976 /nfs/dbraw/zinc/79/69/76/345796976.db2.gz FEXFDYDGWFDPBC-ZCFIWIBFSA-N 0 0 171.265 1.018 10 0 ADAERN Cn1nncc1N[C@H]1C[C@@H]2C[C@@H]2C1 307077544 345796979 /nfs/dbraw/zinc/79/69/79/345796979.db2.gz DPLNFUHTGGGTAL-RNLVFQAGSA-N 0 0 178.239 1.026 10 0 ADAERN CC[C@@H]1CCN1Cc1cocn1 307078382 345796981 /nfs/dbraw/zinc/79/69/81/345796981.db2.gz FDZKJZCOYFPRQM-SECBINFHSA-N 0 0 166.224 1.659 10 0 ADAERN C1=C[C@H](Nc2cccnn2)CCC1 307078278 345797004 /nfs/dbraw/zinc/79/70/04/345797004.db2.gz GSPHHINJGCUFQU-VIFPVBQESA-N 0 0 175.235 1.997 10 0 ADAERN CC[C@@H]1NC(=O)CC12CSC2 307078389 345797008 /nfs/dbraw/zinc/79/70/08/345797008.db2.gz FEXFDYDGWFDPBC-LURJTMIESA-N 0 0 171.265 1.018 10 0 ADAERN C[C@H]1CC[C@H](C(=O)NC2CCC2)O1 307078460 345797045 /nfs/dbraw/zinc/79/70/45/345797045.db2.gz GUZUIBKLZLXTSA-IONNQARKSA-N 0 0 183.251 1.223 10 0 ADAERN c1cncc(CNc2cc[nH]n2)c1 307078364 345797058 /nfs/dbraw/zinc/79/70/58/345797058.db2.gz GUAMTPHPQHUVLQ-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN CC[C@@H]1C[C@@H]1c1nc(N)nc(Cl)n1 307077969 345797069 /nfs/dbraw/zinc/79/70/69/345797069.db2.gz MMAPKLIFRAZPBI-UHNVWZDZSA-N 0 0 198.657 1.621 10 0 ADAERN CC[C@H]1C[C@@H]1c1nc(N)nc(Cl)n1 307077975 345797074 /nfs/dbraw/zinc/79/70/74/345797074.db2.gz MMAPKLIFRAZPBI-WHFBIAKZSA-N 0 0 198.657 1.621 10 0 ADAERN CC[C@H]1C[C@H]1c1nc(N)nc(Cl)n1 307077963 345797094 /nfs/dbraw/zinc/79/70/94/345797094.db2.gz MMAPKLIFRAZPBI-CRCLSJGQSA-N 0 0 198.657 1.621 10 0 ADAERN CC(C)(C)NC(=O)[C@@H]1CCC[C@@H]1O 307078426 345797153 /nfs/dbraw/zinc/79/71/53/345797153.db2.gz GUOYCMFJVHJXAV-SFYZADRCSA-N 0 0 185.267 1.062 10 0 ADAERN Cc1nc(C)c(F)c(NCCF)n1 307078027 345797172 /nfs/dbraw/zinc/79/71/72/345797172.db2.gz GPQYRIKARQJSST-UHFFFAOYSA-N 0 0 187.193 1.614 10 0 ADAERN CC(C)(C)NC(=O)[C@H]1CCC[C@@H]1O 307078434 345797189 /nfs/dbraw/zinc/79/71/89/345797189.db2.gz GUOYCMFJVHJXAV-YUMQZZPRSA-N 0 0 185.267 1.062 10 0 ADAERN C1=C[C@@H](Nc2cccnn2)CCC1 307078274 345797199 /nfs/dbraw/zinc/79/71/99/345797199.db2.gz GSPHHINJGCUFQU-SECBINFHSA-N 0 0 175.235 1.997 10 0 ADAERN Cc1cocc1C(=O)c1cnsn1 307078503 345797210 /nfs/dbraw/zinc/79/72/10/345797210.db2.gz QKYKYZXEECQGJT-UHFFFAOYSA-N 0 0 194.215 1.671 10 0 ADAERN CC(C)(C)NC(=O)[C@H]1CCC[C@H]1O 307078416 345797216 /nfs/dbraw/zinc/79/72/16/345797216.db2.gz GUOYCMFJVHJXAV-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)(C)NC(=O)[C@@H]1CCC[C@H]1O 307078406 345797234 /nfs/dbraw/zinc/79/72/34/345797234.db2.gz GUOYCMFJVHJXAV-HTQZYQBOSA-N 0 0 185.267 1.062 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1ccnc(F)c1 307079524 345797574 /nfs/dbraw/zinc/79/75/74/345797574.db2.gz RBTVQMRJJNDJGM-RQJHMYQMSA-N 0 0 184.214 1.402 10 0 ADAERN Cc1csc([C@H]2CNC(=O)[C@@H]2C)n1 307078747 345797631 /nfs/dbraw/zinc/79/76/31/345797631.db2.gz FQCCGLLHPQEFGU-RQJHMYQMSA-N 0 0 196.275 1.301 10 0 ADAERN Cc1csc([C@H]2CNC(=O)[C@H]2C)n1 307078740 345797636 /nfs/dbraw/zinc/79/76/36/345797636.db2.gz FQCCGLLHPQEFGU-BQBZGAKWSA-N 0 0 196.275 1.301 10 0 ADAERN Cc1csc([C@@H]2CNC(=O)[C@@H]2C)n1 307078744 345797676 /nfs/dbraw/zinc/79/76/76/345797676.db2.gz FQCCGLLHPQEFGU-RNFRBKRXSA-N 0 0 196.275 1.301 10 0 ADAERN CNC(=O)Nc1cc(C)ncc1C 307079627 345797694 /nfs/dbraw/zinc/79/76/94/345797694.db2.gz HWMFCCPXBMILHW-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN C[C@H](O)[C@H](C)Nc1ccnc(F)c1 307079498 345797753 /nfs/dbraw/zinc/79/77/53/345797753.db2.gz RBTVQMRJJNDJGM-BQBZGAKWSA-N 0 0 184.214 1.402 10 0 ADAERN Cc1noc(C(F)F)c1C(N)=O 307079613 345797771 /nfs/dbraw/zinc/79/77/71/345797771.db2.gz HVVBUUODPDPEFQ-UHFFFAOYSA-N 0 0 176.122 1.020 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1ccnc(F)c1 307079515 345797810 /nfs/dbraw/zinc/79/78/10/345797810.db2.gz RBTVQMRJJNDJGM-RNFRBKRXSA-N 0 0 184.214 1.402 10 0 ADAERN C[C@H](Nc1ccnc(F)c1)[C@@H](C)O 307079507 345797811 /nfs/dbraw/zinc/79/78/11/345797811.db2.gz RBTVQMRJJNDJGM-NKWVEPMBSA-N 0 0 184.214 1.402 10 0 ADAERN Cc1csc([C@@H]2CNC(=O)[C@H]2C)n1 307078743 345797815 /nfs/dbraw/zinc/79/78/15/345797815.db2.gz FQCCGLLHPQEFGU-NKWVEPMBSA-N 0 0 196.275 1.301 10 0 ADAERN CC(C)=CCCNC=O 307080442 345797968 /nfs/dbraw/zinc/79/79/68/345797968.db2.gz GICDUCOZWHUXRZ-UHFFFAOYSA-N 0 0 127.187 1.089 10 0 ADAERN Cc1cnn(C)c1C(=O)C1CCC1 307079757 345797976 /nfs/dbraw/zinc/79/79/76/345797976.db2.gz NVNMWGZSLDRUFG-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN CC(C)(F)C(=O)C1CCOCC1 307080110 345798358 /nfs/dbraw/zinc/79/83/58/345798358.db2.gz IEDGNKMUCNFJNF-UHFFFAOYSA-N 0 0 174.215 1.730 10 0 ADAERN CSCCC(=O)Nc1cnn(C)c1 307080042 345798197 /nfs/dbraw/zinc/79/81/97/345798197.db2.gz RSVMFCXVYVLAQE-UHFFFAOYSA-N 0 0 199.279 1.112 10 0 ADAERN C=Cc1ncnc(N)c1Cl 307081185 345798711 /nfs/dbraw/zinc/79/87/11/345798711.db2.gz SVWMYUVZUJTJPV-UHFFFAOYSA-N 0 0 155.588 1.355 10 0 ADAERN COc1cc(F)c(F)c(F)c1CO 307080758 345798841 /nfs/dbraw/zinc/79/88/41/345798841.db2.gz OPGLIXBAAZEBCN-UHFFFAOYSA-N 0 0 192.136 1.605 10 0 ADAERN CC1(C)OCc2cnc(Cl)nc21 307081899 345799212 /nfs/dbraw/zinc/79/92/12/345799212.db2.gz ALPMCPGNVMNASP-UHFFFAOYSA-N 0 0 184.626 1.895 10 0 ADAERN C[C@@H]1COC(C)(C)[C@@H](C)[NH2+]1 307081660 345799229 /nfs/dbraw/zinc/79/92/29/345799229.db2.gz PGYOLLPQDFCVFF-RNFRBKRXSA-N 0 0 143.230 1.162 10 0 ADAERN CCc1c(NC2CCC2)cnn1C 307081913 345799272 /nfs/dbraw/zinc/79/92/72/345799272.db2.gz JLHRBSDSJCIIAR-UHFFFAOYSA-N 0 0 179.267 1.947 10 0 ADAERN C[C@@H]1[NH2+][C@H](C)COC1(C)C 307081661 345799288 /nfs/dbraw/zinc/79/92/88/345799288.db2.gz PGYOLLPQDFCVFF-RQJHMYQMSA-N 0 0 143.230 1.162 10 0 ADAERN C[C@H]1COC(C)(C)[C@@H](C)[NH2+]1 307081659 345799326 /nfs/dbraw/zinc/79/93/26/345799326.db2.gz PGYOLLPQDFCVFF-NKWVEPMBSA-N 0 0 143.230 1.162 10 0 ADAERN C[C@H]1COC(C)(C)[C@H](C)[NH2+]1 307081658 345799523 /nfs/dbraw/zinc/79/95/23/345799523.db2.gz PGYOLLPQDFCVFF-BQBZGAKWSA-N 0 0 143.230 1.162 10 0 ADAERN CCOc1cc(F)cc(F)n1 307083518 345799908 /nfs/dbraw/zinc/79/99/08/345799908.db2.gz QWASFYNQBRIKBY-UHFFFAOYSA-N 0 0 159.135 1.759 10 0 ADAERN Cc1cscc1NCCCO 307082485 345799946 /nfs/dbraw/zinc/79/99/46/345799946.db2.gz QDAUTIITLZEJJU-UHFFFAOYSA-N 0 0 171.265 1.851 10 0 ADAERN Clc1ccc(C2=NCCN2)s1 307083387 345800148 /nfs/dbraw/zinc/80/01/48/345800148.db2.gz VGXPXLVBAGMOTJ-UHFFFAOYSA-N 0 0 186.667 1.751 10 0 ADAERN Nc1cc(CO)cnc1C(F)(F)F 307082436 345800238 /nfs/dbraw/zinc/80/02/38/345800238.db2.gz PXPLQCBVQYKBHC-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN O=C1CCC[C@@H](Cc2csnn2)C1 307084828 345800589 /nfs/dbraw/zinc/80/05/89/345800589.db2.gz LSSWVXFTJDMVLR-ZETCQYMHSA-N 0 0 196.275 1.840 10 0 ADAERN c1nc(CNc2nncs2)co1 307084518 345800611 /nfs/dbraw/zinc/80/06/11/345800611.db2.gz LOKSXCADUXKHHJ-UHFFFAOYSA-N 0 0 182.208 1.138 10 0 ADAERN O=C1CCC[C@H](Cc2csnn2)C1 307084827 345800619 /nfs/dbraw/zinc/80/06/19/345800619.db2.gz LSSWVXFTJDMVLR-SSDOTTSWSA-N 0 0 196.275 1.840 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1C(C)(C)C 307085266 345801180 /nfs/dbraw/zinc/80/11/80/345801180.db2.gz XIBAZDXMEDZIMX-YUMQZZPRSA-N 0 0 169.268 1.803 10 0 ADAERN O=C(c1ccnnc1)c1ccsn1 307085221 345801257 /nfs/dbraw/zinc/80/12/57/345801257.db2.gz XFMYYMLMLYCCCG-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN Cc1[nH]c(C(N)=O)c(C)c1C 307085485 345801258 /nfs/dbraw/zinc/80/12/58/345801258.db2.gz XNLMIKZBEAVYMF-UHFFFAOYSA-N 0 0 152.197 1.039 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1C(C)(C)C 307085262 345801349 /nfs/dbraw/zinc/80/13/49/345801349.db2.gz XIBAZDXMEDZIMX-JGVFFNPUSA-N 0 0 169.268 1.803 10 0 ADAERN Cc1ncc(C(=O)C(C)(C)C)n1C 307086654 345801721 /nfs/dbraw/zinc/80/17/21/345801721.db2.gz YUJKHLPMULEXPX-UHFFFAOYSA-N 0 0 180.251 1.957 10 0 ADAERN CC[C@@H]1CC[N@@H+]1Cc1ccno1 307087158 345802146 /nfs/dbraw/zinc/80/21/46/345802146.db2.gz ZTTVAKRRMVEAQK-MRVPVSSYSA-N 0 0 166.224 1.659 10 0 ADAERN Cc1cc(Cl)cnc1NC(N)=O 307086947 345802215 /nfs/dbraw/zinc/80/22/15/345802215.db2.gz ZIUNWDDZZMGYHE-UHFFFAOYSA-N 0 0 185.614 1.534 10 0 ADAERN Clc1n[nH]c(CC2CCC2)n1 307086846 345802218 /nfs/dbraw/zinc/80/22/18/345802218.db2.gz KSTBSMJWOHWUSH-UHFFFAOYSA-N 0 0 171.631 1.801 10 0 ADAERN CC[C@H]1CC[N@@H+]1Cc1ccno1 307087160 345802241 /nfs/dbraw/zinc/80/22/41/345802241.db2.gz ZTTVAKRRMVEAQK-QMMMGPOBSA-N 0 0 166.224 1.659 10 0 ADAERN Nc1ncn([C@@H]2[C@H]3CCCC[C@H]32)n1 307087529 345802287 /nfs/dbraw/zinc/80/22/87/345802287.db2.gz RUJXJEPWKHIGEG-JIGDXULJSA-N 0 0 178.239 1.221 10 0 ADAERN Cc1cn(Cc2cocn2)c(=S)[nH]1 307086885 345802318 /nfs/dbraw/zinc/80/23/18/345802318.db2.gz KWALGUGURCJIAX-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN CCON(C)c1ccnc(Cl)n1 307087241 345802470 /nfs/dbraw/zinc/80/24/70/345802470.db2.gz ZZIJTFNAJQIPBJ-UHFFFAOYSA-N 0 0 187.630 1.518 10 0 ADAERN CCC1(Nc2ccnc(N)n2)CC1 307088497 345802758 /nfs/dbraw/zinc/80/27/58/345802758.db2.gz SYIOUWPRAOSVHB-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN O=C1C[C@@H](CCC2CC2)N1 307088157 345802834 /nfs/dbraw/zinc/80/28/34/345802834.db2.gz SQGSQZDIGTZRHQ-SSDOTTSWSA-N 0 0 139.198 1.065 10 0 ADAERN CS[C@@H]1CCN(c2nc(C)c[nH]2)C1 307088272 345802838 /nfs/dbraw/zinc/80/28/38/345802838.db2.gz MNPRRMRLAPFZQT-MRVPVSSYSA-N 0 0 197.307 1.660 10 0 ADAERN O=C1C[C@H](CCC2CC2)N1 307088158 345802848 /nfs/dbraw/zinc/80/28/48/345802848.db2.gz SQGSQZDIGTZRHQ-ZETCQYMHSA-N 0 0 139.198 1.065 10 0 ADAERN CCC1(N2C(=S)N=NC2C)CC1 307088366 345802851 /nfs/dbraw/zinc/80/28/51/345802851.db2.gz SWYKOXRXJPXHBG-UHFFFAOYSA-N 0 0 183.280 1.774 10 0 ADAERN Cc1noc(N[C@@H]2CSC2(C)C)n1 307088511 345802855 /nfs/dbraw/zinc/80/28/55/345802855.db2.gz SZQAWLHYLXFWHY-ZCFIWIBFSA-N 0 0 199.279 1.684 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1CCC2(CC2)C1 307087815 345802889 /nfs/dbraw/zinc/80/28/89/345802889.db2.gz LQJIYWZZPBFNJU-ORCRQEGFSA-N 0 0 167.208 1.071 10 0 ADAERN CC(C)Sc1ncc(F)c(N)n1 307088159 345802955 /nfs/dbraw/zinc/80/29/55/345802955.db2.gz SQNAVDMRFRPMCF-UHFFFAOYSA-N 0 0 187.243 1.698 10 0 ADAERN CS[C@H]1CCN(c2nc(C)c[nH]2)C1 307088273 345803033 /nfs/dbraw/zinc/80/30/33/345803033.db2.gz MNPRRMRLAPFZQT-QMMMGPOBSA-N 0 0 197.307 1.660 10 0 ADAERN Cc1noc(N[C@H]2CSC2(C)C)n1 307088510 345803061 /nfs/dbraw/zinc/80/30/61/345803061.db2.gz SZQAWLHYLXFWHY-LURJTMIESA-N 0 0 199.279 1.684 10 0 ADAERN c1nc(CNc2cn[nH]c2)co1 307088243 345803070 /nfs/dbraw/zinc/80/30/70/345803070.db2.gz MLANUBMJXAZVDX-UHFFFAOYSA-N 0 0 164.168 1.010 10 0 ADAERN CC[C@@H]1C[C@H]1CNc1cnc(N)cn1 307087917 345803142 /nfs/dbraw/zinc/80/31/42/345803142.db2.gz SJAKVDBTVQPRHI-SFYZADRCSA-N 0 0 192.266 1.517 10 0 ADAERN CC1(C)CCC[C@@H]1CNC=O 307089273 345803635 /nfs/dbraw/zinc/80/36/35/345803635.db2.gz UXFQKVYIOBCBFT-MRVPVSSYSA-N 0 0 155.241 1.559 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)C12CCCC2 307089124 345803455 /nfs/dbraw/zinc/80/34/55/345803455.db2.gz OAQRAZKMZXXSCX-SFYZADRCSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1C(=O)N[C@H](C)C12CCCC2 307089122 345803463 /nfs/dbraw/zinc/80/34/63/345803463.db2.gz OAQRAZKMZXXSCX-HTQZYQBOSA-N 0 0 167.252 1.701 10 0 ADAERN CC1(C)CCC[C@H]1CNC=O 307089274 345803511 /nfs/dbraw/zinc/80/35/11/345803511.db2.gz UXFQKVYIOBCBFT-QMMMGPOBSA-N 0 0 155.241 1.559 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)C12CCCC2 307089125 345803612 /nfs/dbraw/zinc/80/36/12/345803612.db2.gz OAQRAZKMZXXSCX-YUMQZZPRSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1NC(=O)[C@H](C)C12CCCC2 307089123 345803702 /nfs/dbraw/zinc/80/37/02/345803702.db2.gz OAQRAZKMZXXSCX-JGVFFNPUSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1ccc(N[S@@](C)=O)c(O)c1 307090230 345803933 /nfs/dbraw/zinc/80/39/33/345803933.db2.gz WDJBIEMTRZUMMD-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN CC1=CC[N@@H+](/C=C/C(=O)[O-])CC1 307089952 345804015 /nfs/dbraw/zinc/80/40/15/345804015.db2.gz VQVAGCSPZMFHPS-QPJJXVBHSA-N 0 0 167.208 1.237 10 0 ADAERN Cc1ccc(N)c(C)c1OC(N)=O 307090022 345803963 /nfs/dbraw/zinc/80/39/63/345803963.db2.gz VVIVRZIFGHLEGX-UHFFFAOYSA-N 0 0 180.207 1.343 10 0 ADAERN Cc1ccc(N[S@](C)=O)c(O)c1 307090231 345803991 /nfs/dbraw/zinc/80/39/91/345803991.db2.gz WDJBIEMTRZUMMD-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN C[C@@]1(C2CCCC2)COCC(=O)N1 307090060 345804028 /nfs/dbraw/zinc/80/40/28/345804028.db2.gz VYDUSHQKKMDXIF-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN C[C@]1(C2CCCC2)COCC(=O)N1 307090062 345804203 /nfs/dbraw/zinc/80/42/03/345804203.db2.gz VYDUSHQKKMDXIF-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN CC1CCC2(CC1)COCC(=O)N2 307090059 345804207 /nfs/dbraw/zinc/80/42/07/345804207.db2.gz VXLZCBBVXAIHGV-UHFFFAOYSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@]1(C2CC2)[C@H](C)NC(=O)[C@H]1C 307091048 345804504 /nfs/dbraw/zinc/80/45/04/345804504.db2.gz QMLUHSHANACMAC-VHSKPIJISA-N 0 0 181.279 1.947 10 0 ADAERN Nc1cnc(N[C@H]2C[C@@H]3C[C@@H]3C2)s1 307090592 345804508 /nfs/dbraw/zinc/80/45/08/345804508.db2.gz PYHARIMCYFXMGY-KVSKUHBBSA-N 0 0 195.291 1.936 10 0 ADAERN CC[C@@]1(C2CC2)[C@H](C)C(=O)N[C@@H]1C 307091045 345804555 /nfs/dbraw/zinc/80/45/55/345804555.db2.gz QMLUHSHANACMAC-SOCHQFKDSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@H]1C[C@@H]1c1cc(N)on1 307091331 345804571 /nfs/dbraw/zinc/80/45/71/345804571.db2.gz XEIQLNFXNMSSIW-WDSKDSINSA-N 0 0 152.197 1.770 10 0 ADAERN CC[C@]1(C2CC2)[C@@H](C)NC(=O)[C@@H]1C 307091047 345804593 /nfs/dbraw/zinc/80/45/93/345804593.db2.gz QMLUHSHANACMAC-VAOFZXAKSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@@H]1C[C@H]1c1cc(N)on1 307091329 345804614 /nfs/dbraw/zinc/80/46/14/345804614.db2.gz XEIQLNFXNMSSIW-PHDIDXHHSA-N 0 0 152.197 1.770 10 0 ADAERN Clc1cc(N2C[C@H]3C[C@H]3C2)ncn1 307090923 345804631 /nfs/dbraw/zinc/80/46/31/345804631.db2.gz WVIAJCZYMLJFNJ-KNVOCYPGSA-N 0 0 195.653 1.586 10 0 ADAERN O=C(c1ccsn1)[C@@H]1[C@H]2COC[C@H]21 307090787 345804653 /nfs/dbraw/zinc/80/46/53/345804653.db2.gz WTQMLFBLDHMJKF-BDINMYNLSA-N 0 0 195.243 1.218 10 0 ADAERN CC[C@]1(C2CC2)[C@H](C)NC(=O)[C@@H]1C 307091044 345804800 /nfs/dbraw/zinc/80/48/00/345804800.db2.gz QMLUHSHANACMAC-DKCNOQQISA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@@H]1C[C@@H]1c1cc(N)on1 307091330 345804834 /nfs/dbraw/zinc/80/48/34/345804834.db2.gz XEIQLNFXNMSSIW-RITPCOANSA-N 0 0 152.197 1.770 10 0 ADAERN CC[C@H]1C[C@H]1c1cc(N)on1 307091328 345804842 /nfs/dbraw/zinc/80/48/42/345804842.db2.gz XEIQLNFXNMSSIW-NTSWFWBYSA-N 0 0 152.197 1.770 10 0 ADAERN CN(C)C(=O)c1cc(N)cs1 307091701 345805168 /nfs/dbraw/zinc/80/51/68/345805168.db2.gz XWPGDNUDPMOIQS-UHFFFAOYSA-N 0 0 170.237 1.032 10 0 ADAERN CN(c1ncc[nH]1)C1CC1 307091536 345805194 /nfs/dbraw/zinc/80/51/94/345805194.db2.gz XMINPPSXLLWDLX-UHFFFAOYSA-N 0 0 137.186 1.008 10 0 ADAERN CC(C)NC(=O)c1cc(F)c[nH]1 307091710 345805213 /nfs/dbraw/zinc/80/52/13/345805213.db2.gz XYNZUYQPRJPVER-UHFFFAOYSA-N 0 0 170.187 1.292 10 0 ADAERN Cc1nocc1Cn1cc[nH]c1=S 307091821 345805323 /nfs/dbraw/zinc/80/53/23/345805323.db2.gz RFVQYLJNSANFOI-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN Cc1ccc(O)c(N[S@](C)=O)c1 307092239 345805362 /nfs/dbraw/zinc/80/53/62/345805362.db2.gz YRKLTPLVHPWXLA-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN COc1c(Cl)cncc1CO 307092205 345805376 /nfs/dbraw/zinc/80/53/76/345805376.db2.gz AMZJRCLCPTWTHA-UHFFFAOYSA-N 0 0 173.599 1.236 10 0 ADAERN Cc1ncc(NCCF)nc1C 307092232 345805444 /nfs/dbraw/zinc/80/54/44/345805444.db2.gz YQNKDBPUXBNQIM-UHFFFAOYSA-N 0 0 169.203 1.475 10 0 ADAERN Cc1ccc(O)c(N[S@@](C)=O)c1 307092238 345805488 /nfs/dbraw/zinc/80/54/88/345805488.db2.gz YRKLTPLVHPWXLA-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN C[C@]1(C(=O)c2cnccn2)C[C@@H]1F 307092954 345805834 /nfs/dbraw/zinc/80/58/34/345805834.db2.gz SHQGGDSZVFCDKC-CBAPKCEASA-N 0 0 180.182 1.407 10 0 ADAERN C[C@@]1(C(=O)c2cnccn2)C[C@@H]1F 307092960 345805835 /nfs/dbraw/zinc/80/58/35/345805835.db2.gz SHQGGDSZVFCDKC-IONNQARKSA-N 0 0 180.182 1.407 10 0 ADAERN Nc1c(F)cccc1NCCF 307093037 345805836 /nfs/dbraw/zinc/80/58/36/345805836.db2.gz BZXHLWOBZFTFPO-UHFFFAOYSA-N 0 0 172.178 1.789 10 0 ADAERN CCc1nc(CNC#N)cs1 307092728 345805916 /nfs/dbraw/zinc/80/59/16/345805916.db2.gz BPJHFVOAAYEWIZ-UHFFFAOYSA-N 0 0 167.237 1.276 10 0 ADAERN C[C@@]1(C(=O)c2cnccn2)C[C@H]1F 307092970 345805920 /nfs/dbraw/zinc/80/59/20/345805920.db2.gz SHQGGDSZVFCDKC-VXNVDRBHSA-N 0 0 180.182 1.407 10 0 ADAERN Cc1cnn(C)c1[C@@H]1CCC(=O)C1 307092762 345805980 /nfs/dbraw/zinc/80/59/80/345805980.db2.gz BTDQJDPYQLHPKT-MRVPVSSYSA-N 0 0 178.235 1.565 10 0 ADAERN CCC1(N2CCNC2=O)CCCC1 307093366 345806572 /nfs/dbraw/zinc/80/65/72/345806572.db2.gz AGZYQHUEJIYFJL-UHFFFAOYSA-N 0 0 182.267 1.734 10 0 ADAERN ONc1nccc2ccc(O)cc12 307094477 345806588 /nfs/dbraw/zinc/80/65/88/345806588.db2.gz FDILWROBNMVXLH-UHFFFAOYSA-N 0 0 176.175 1.742 10 0 ADAERN CCCNc1nn2cc(C)nc2s1 307093640 345806595 /nfs/dbraw/zinc/80/65/95/345806595.db2.gz BBEPYRMZMLAIBH-UHFFFAOYSA-N 0 0 196.279 1.921 10 0 ADAERN S=C(NC1CC1)N[C@H]1C[C@@H]2C[C@@H]2C1 307094615 345806597 /nfs/dbraw/zinc/80/65/97/345806597.db2.gz SZFVXBRYPOHFPC-SRSLHRDFSA-N 0 0 196.319 1.411 10 0 ADAERN COc1ccc(-c2nc(O)c[nH]2)cn1 307093822 345806624 /nfs/dbraw/zinc/80/66/24/345806624.db2.gz DTLFEASQTPEBPV-UHFFFAOYSA-N 0 0 191.190 1.186 10 0 ADAERN Cn1cnc(C(=O)[C@@H]2CCCCO2)c1 307094076 345806645 /nfs/dbraw/zinc/80/66/45/345806645.db2.gz BVENQZKBDXTCLC-VIFPVBQESA-N 0 0 194.234 1.172 10 0 ADAERN Cn1cnc(C(=O)[C@H]2CCCCO2)c1 307094074 345806666 /nfs/dbraw/zinc/80/66/66/345806666.db2.gz BVENQZKBDXTCLC-SECBINFHSA-N 0 0 194.234 1.172 10 0 ADAERN CC[C@H](C)c1ccnc(=NN)[nH]1 307094899 345806785 /nfs/dbraw/zinc/80/67/85/345806785.db2.gz CGVXWGQUZCWYJJ-LURJTMIESA-N 0 0 166.228 1.276 10 0 ADAERN CCn1cnc([C@@]2(O)CC[C@@H](C)C2)c1 307094996 345806774 /nfs/dbraw/zinc/80/67/74/345806774.db2.gz FPMPSRRIRWRHEN-MWLCHTKSSA-N 0 0 194.278 1.911 10 0 ADAERN Cc1cc(Cl)nc(-c2cn[nH]c2)n1 307095597 345806822 /nfs/dbraw/zinc/80/68/22/345806822.db2.gz CQYCTRKNLRVPFE-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN CCn1cnc([C@]2(O)CC[C@@H](C)C2)c1 307094995 345806899 /nfs/dbraw/zinc/80/68/99/345806899.db2.gz FPMPSRRIRWRHEN-KOLCDFICSA-N 0 0 194.278 1.911 10 0 ADAERN 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FVLDAYQSLYRISV-UHFFFAOYSA-N 0 0 167.212 1.055 10 0 ADAERN Cc1nc(C(=O)N[C@H]2C[C@H]2C)cs1 307104121 345811909 /nfs/dbraw/zinc/81/19/09/345811909.db2.gz CFWKFMZMHXGAEV-VDTYLAMSSA-N 0 0 196.275 1.590 10 0 ADAERN Cc1nc(C(=O)N[C@H]2C[C@@H]2C)cs1 307104117 345811932 /nfs/dbraw/zinc/81/19/32/345811932.db2.gz CFWKFMZMHXGAEV-FSPLSTOPSA-N 0 0 196.275 1.590 10 0 ADAERN C[C@@H](NC(N)=O)c1ccnc(Cl)c1 307105070 345812187 /nfs/dbraw/zinc/81/21/87/345812187.db2.gz JFCYDCFAEHGUIC-RXMQYKEDSA-N 0 0 199.641 1.464 10 0 ADAERN C[C@H](NC(N)=O)c1ccnc(Cl)c1 307105073 345812229 /nfs/dbraw/zinc/81/22/29/345812229.db2.gz JFCYDCFAEHGUIC-YFKPBYRVSA-N 0 0 199.641 1.464 10 0 ADAERN Cc1cnc(Sc2nc[nH]n2)nc1 307105333 345812588 /nfs/dbraw/zinc/81/25/88/345812588.db2.gz XRTCCXSAZHCVEM-UHFFFAOYSA-N 0 0 193.235 1.054 10 0 ADAERN C[C@H](N1CCCNC1=O)C(F)(F)F 307104702 345812609 /nfs/dbraw/zinc/81/26/09/345812609.db2.gz COLNEFSGERVMBQ-YFKPBYRVSA-N 0 0 196.172 1.353 10 0 ADAERN Cc1cc([C@@H](O)c2ncc[nH]2)sn1 307105803 345812860 /nfs/dbraw/zinc/81/28/60/345812860.db2.gz JLFUXFIJOYEUBB-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1cnco1 307106524 345812880 /nfs/dbraw/zinc/81/28/80/345812880.db2.gz YOHVURBBTIZPPW-SSDOTTSWSA-N 0 0 180.207 1.203 10 0 ADAERN Cc1cc([C@H](O)c2ncc[nH]2)sn1 307105805 345812885 /nfs/dbraw/zinc/81/28/85/345812885.db2.gz JLFUXFIJOYEUBB-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN Nc1ncc2c(n1)[C@@H]1C[C@@H]1CC2 307106632 345812901 /nfs/dbraw/zinc/81/29/01/345812901.db2.gz DWBYCRVWMJLKHT-CAHLUQPWSA-N 0 0 161.208 1.109 10 0 ADAERN CCc1cnccc1NC(=O)OC 307106305 345813070 /nfs/dbraw/zinc/81/30/70/345813070.db2.gz YGBCMFKXRYEODS-UHFFFAOYSA-N 0 0 180.207 1.822 10 0 ADAERN Nc1ncc2c(n1)[C@H]1C[C@H]1CC2 307106635 345813118 /nfs/dbraw/zinc/81/31/18/345813118.db2.gz DWBYCRVWMJLKHT-VDTYLAMSSA-N 0 0 161.208 1.109 10 0 ADAERN Cc1coc(NCC(C)(C)O)n1 307105838 345813257 /nfs/dbraw/zinc/81/32/57/345813257.db2.gz XWUJXNXQHLSCEP-UHFFFAOYSA-N 0 0 170.212 1.166 10 0 ADAERN CO[C@H](C)C(=O)c1cscn1 307106809 345813535 /nfs/dbraw/zinc/81/35/35/345813535.db2.gz YRJYYOYNLOYLLT-RXMQYKEDSA-N 0 0 171.221 1.361 10 0 ADAERN CCn1nccc1N[C@@H]1CCOC1 307107709 345813619 /nfs/dbraw/zinc/81/36/19/345813619.db2.gz ZNIPTSJUPOTTJI-MRVPVSSYSA-N 0 0 181.239 1.104 10 0 ADAERN C[C@H]1CC(=O)c2cnn(C)c2C1 307107437 345813627 /nfs/dbraw/zinc/81/36/27/345813627.db2.gz ZIOHFAYPJDORCV-ZCFIWIBFSA-N 0 0 164.208 1.185 10 0 ADAERN CO[C@@H](C)C(=O)c1cscn1 307106812 345813677 /nfs/dbraw/zinc/81/36/77/345813677.db2.gz YRJYYOYNLOYLLT-YFKPBYRVSA-N 0 0 171.221 1.361 10 0 ADAERN CCn1nccc1N[C@H]1CCOC1 307107712 345813715 /nfs/dbraw/zinc/81/37/15/345813715.db2.gz ZNIPTSJUPOTTJI-QMMMGPOBSA-N 0 0 181.239 1.104 10 0 ADAERN Cc1nn(CN2CCCC2)c(=S)[nH]1 307107932 345813742 /nfs/dbraw/zinc/81/37/42/345813742.db2.gz ZRFOTUAXIQSMEN-UHFFFAOYSA-N 0 0 198.295 1.302 10 0 ADAERN CN(C)Cc1c(F)ccc(N)c1F 307106834 345813808 /nfs/dbraw/zinc/81/38/08/345813808.db2.gz YSVHAEFVVUXMHN-UHFFFAOYSA-N 0 0 186.205 1.609 10 0 ADAERN CCn1ccnc1-c1noc(Cl)n1 307107403 345813846 /nfs/dbraw/zinc/81/38/46/345813846.db2.gz FQKCMEQHCVTYBE-UHFFFAOYSA-N 0 0 198.613 1.606 10 0 ADAERN CC1(NC(=S)N[C@@H]2CC2(C)C)CC1 307107481 345813852 /nfs/dbraw/zinc/81/38/52/345813852.db2.gz ZKAOHAZYJTVWCQ-SSDOTTSWSA-N 0 0 198.335 1.802 10 0 ADAERN C[C@@H]1CC(=O)c2cnn(C)c2C1 307107434 345813862 /nfs/dbraw/zinc/81/38/62/345813862.db2.gz ZIOHFAYPJDORCV-LURJTMIESA-N 0 0 164.208 1.185 10 0 ADAERN COC(=O)c1cc(C)cc(OC)n1 307107240 345813886 /nfs/dbraw/zinc/81/38/86/345813886.db2.gz KUDFYKWGFPEFHC-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN C[C@](O)(c1cnc(N)s1)C1CCC1 307107989 345814107 /nfs/dbraw/zinc/81/41/07/345814107.db2.gz ZTAVHTGGVCHHLN-SECBINFHSA-N 0 0 198.291 1.733 10 0 ADAERN Cc1c(F)cccc1-n1cnc(N)n1 307108195 345814109 /nfs/dbraw/zinc/81/41/09/345814109.db2.gz ATYDXLXHSBCSCR-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN C[C@@H](Nc1cncc(N)c1)C(F)F 307108613 345814259 /nfs/dbraw/zinc/81/42/59/345814259.db2.gz GMBUKNQTQXYSSN-RXMQYKEDSA-N 0 0 187.193 1.729 10 0 ADAERN C[C@@](O)(c1cnc(N)s1)C1CCC1 307107991 345814226 /nfs/dbraw/zinc/81/42/26/345814226.db2.gz ZTAVHTGGVCHHLN-VIFPVBQESA-N 0 0 198.291 1.733 10 0 ADAERN CC1(C)CCC[C@H]1ONC(N)=O 307108008 345814268 /nfs/dbraw/zinc/81/42/68/345814268.db2.gz ZTYKXTPITCVBOW-ZCFIWIBFSA-N 0 0 172.228 1.165 10 0 ADAERN O[C@@H](c1cscn1)[C@@H]1[C@H]2COC[C@H]21 307108159 345814272 /nfs/dbraw/zinc/81/42/72/345814272.db2.gz JTXYPMLAIBVKDR-LWIVVEGESA-N 0 0 197.259 1.069 10 0 ADAERN CC(C)C[C@@H](C)N1C(=O)CCC1=O 307108268 345814371 /nfs/dbraw/zinc/81/43/71/345814371.db2.gz AVOZLNOIEIFHLZ-MRVPVSSYSA-N 0 0 183.251 1.570 10 0 ADAERN O[C@H](c1cscn1)[C@@H]1[C@H]2COC[C@H]21 307108152 345814417 /nfs/dbraw/zinc/81/44/17/345814417.db2.gz JTXYPMLAIBVKDR-CRYJXSNHSA-N 0 0 197.259 1.069 10 0 ADAERN Cc1cscc1Cn1cnc(N)n1 307108199 345814456 /nfs/dbraw/zinc/81/44/56/345814456.db2.gz AUFRFUPWVAPZSJ-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CC(C)C[C@H](C)N1C(=O)CCC1=O 307108272 345814478 /nfs/dbraw/zinc/81/44/78/345814478.db2.gz AVOZLNOIEIFHLZ-QMMMGPOBSA-N 0 0 183.251 1.570 10 0 ADAERN CC1(C)CCC[C@@H]1ONC(N)=O 307108005 345814506 /nfs/dbraw/zinc/81/45/06/345814506.db2.gz ZTYKXTPITCVBOW-LURJTMIESA-N 0 0 172.228 1.165 10 0 ADAERN C[C@@H](c1nc(N)n[nH]1)C(C)(F)F 307109186 345814785 /nfs/dbraw/zinc/81/47/85/345814785.db2.gz BBZRCMBHRMHTMS-VKHMYHEASA-N 0 0 176.170 1.146 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N1CCCCO1 307109083 345814863 /nfs/dbraw/zinc/81/48/63/345814863.db2.gz GXBZRDCZHHSBKU-HTQZYQBOSA-N 0 0 184.239 1.132 10 0 ADAERN C[C@@H]1C[N@H+](C)CC/C1=C(\F)C(=O)[O-] 307108908 345814917 /nfs/dbraw/zinc/81/49/17/345814917.db2.gz KDBVLLRNOZOTNW-UCTBAKFRSA-N 0 0 187.214 1.266 10 0 ADAERN C[C@H](c1nc(N)n[nH]1)C(C)(F)F 307109184 345814985 /nfs/dbraw/zinc/81/49/85/345814985.db2.gz BBZRCMBHRMHTMS-GSVOUGTGSA-N 0 0 176.170 1.146 10 0 ADAERN C[C@H]1C[N@H+](C)CC/C1=C(\F)C(=O)[O-] 307108898 345815051 /nfs/dbraw/zinc/81/50/51/345815051.db2.gz KDBVLLRNOZOTNW-KRHCVIHDSA-N 0 0 187.214 1.266 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BPKJYSRVPMQWRS-RXMQYKEDSA-N 0 0 138.157 1.803 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cccnc1N 307111192 345815509 /nfs/dbraw/zinc/81/55/09/345815509.db2.gz MXILESQJRAIBJE-JGVFFNPUSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cccnc1N 307111193 345815515 /nfs/dbraw/zinc/81/55/15/345815515.db2.gz MXILESQJRAIBJE-SFYZADRCSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@H]1CCO[C@H](C(=O)NC2CC2)C1 307111196 345815521 /nfs/dbraw/zinc/81/55/21/345815521.db2.gz MXLLOSFXBMACMT-CBAPKCEASA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cccnc1N 307111194 345815559 /nfs/dbraw/zinc/81/55/59/345815559.db2.gz MXILESQJRAIBJE-YUMQZZPRSA-N 0 0 177.251 1.874 10 0 ADAERN CCC[C@H](O)C(C)(F)F 307110124 345815582 /nfs/dbraw/zinc/81/55/82/345815582.db2.gz BPKJYSRVPMQWRS-YFKPBYRVSA-N 0 0 138.157 1.803 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cccnc1N 307111191 345815584 /nfs/dbraw/zinc/81/55/84/345815584.db2.gz MXILESQJRAIBJE-HTQZYQBOSA-N 0 0 177.251 1.874 10 0 ADAERN CNc1ncc2c(n1)[C@@H]1C[C@@H]1C2 307110689 345815597 /nfs/dbraw/zinc/81/55/97/345815597.db2.gz BWMBAXHKCFKXHU-CAHLUQPWSA-N 0 0 161.208 1.178 10 0 ADAERN Cc1cscc1N1CC(=O)NC1=O 307110524 345815626 /nfs/dbraw/zinc/81/56/26/345815626.db2.gz MAIVULQOVPYPPC-UHFFFAOYSA-N 0 0 196.231 1.113 10 0 ADAERN Cc1nnc(N)cc1CC(C)(C)C 307110852 345815650 /nfs/dbraw/zinc/81/56/50/345815650.db2.gz HRXNQGOQWXAXAO-UHFFFAOYSA-N 0 0 179.267 1.956 10 0 ADAERN Nc1cncc(O)c1C(F)(F)F 307111008 345815752 /nfs/dbraw/zinc/81/57/52/345815752.db2.gz NZDXIQWJIKNZQJ-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1c1cscn1 307112265 345816131 /nfs/dbraw/zinc/81/61/31/345816131.db2.gz LXWQLLXHOVWKCW-JGVFFNPUSA-N 0 0 196.275 1.586 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1c1cscn1 307112267 345816136 /nfs/dbraw/zinc/81/61/36/345816136.db2.gz LXWQLLXHOVWKCW-YUMQZZPRSA-N 0 0 196.275 1.586 10 0 ADAERN COc1cc(F)c(F)c(N)c1F 307111648 345816144 /nfs/dbraw/zinc/81/61/44/345816144.db2.gz NUSJSPGWVDPXDR-UHFFFAOYSA-N 0 0 177.125 1.695 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1c1cscn1 307112266 345816148 /nfs/dbraw/zinc/81/61/48/345816148.db2.gz LXWQLLXHOVWKCW-SFYZADRCSA-N 0 0 196.275 1.586 10 0 ADAERN FC(F)CCNc1ncns1 307111289 345816166 /nfs/dbraw/zinc/81/61/66/345816166.db2.gz NLBYEFFZBNKFEF-UHFFFAOYSA-N 0 0 179.195 1.605 10 0 ADAERN Cn1nc(C2(C)CC2)[nH]c1=S 307111314 345816219 /nfs/dbraw/zinc/81/62/19/345816219.db2.gz OJHZXYRFXZJJGY-UHFFFAOYSA-N 0 0 169.253 1.155 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1c1cscn1 307112264 345816283 /nfs/dbraw/zinc/81/62/83/345816283.db2.gz LXWQLLXHOVWKCW-HTQZYQBOSA-N 0 0 196.275 1.586 10 0 ADAERN Nc1ccc(Cl)nc1N1CC=CC1 307111497 345816302 /nfs/dbraw/zinc/81/63/02/345816302.db2.gz LHXSRELGAPIPIO-UHFFFAOYSA-N 0 0 195.653 1.693 10 0 ADAERN COCCn1nc(C)c(Cl)c1N 307112373 345816304 /nfs/dbraw/zinc/81/63/04/345816304.db2.gz PQTNQXDUYHKCDG-UHFFFAOYSA-N 0 0 189.646 1.074 10 0 ADAERN Cc1cc([C@@H]2NC(=O)N=C2N)cs1 307112979 345816769 /nfs/dbraw/zinc/81/67/69/345816769.db2.gz AKNLORSESBGHRG-LURJTMIESA-N 0 0 195.247 1.178 10 0 ADAERN CCn1cnc(-c2ncccc2N)c1 307112982 345816957 /nfs/dbraw/zinc/81/69/57/345816957.db2.gz AKSNTCDEXKELJW-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN COc1cc(F)c(F)c(F)n1 307112511 345816978 /nfs/dbraw/zinc/81/69/78/345816978.db2.gz PUWWNRRHJMYQTJ-UHFFFAOYSA-N 0 0 163.098 1.508 10 0 ADAERN Cc1cc([C@H]2NC(=O)N=C2N)cs1 307112980 345817092 /nfs/dbraw/zinc/81/70/92/345817092.db2.gz AKNLORSESBGHRG-ZCFIWIBFSA-N 0 0 195.247 1.178 10 0 ADAERN O=C(NC1CC1)C1(F)CCC1 307112548 345817096 /nfs/dbraw/zinc/81/70/96/345817096.db2.gz MBZBRNHYPZKQRE-UHFFFAOYSA-N 0 0 157.188 1.157 10 0 ADAERN COc1c(F)c(F)cc(F)c1CO 307113402 345817124 /nfs/dbraw/zinc/81/71/24/345817124.db2.gz RIQPPUNXJRCQJU-UHFFFAOYSA-N 0 0 192.136 1.605 10 0 ADAERN CCC1(CC)CN(c2nnc(N)o2)C1 307113570 345817366 /nfs/dbraw/zinc/81/73/66/345817366.db2.gz MVWRBPUWXZLHBR-UHFFFAOYSA-N 0 0 196.254 1.278 10 0 ADAERN CC[C@@H](C)[C@H]1NC(=O)C12CCC2 307113854 345817469 /nfs/dbraw/zinc/81/74/69/345817469.db2.gz BDWMKPDHEXHAMC-HTQZYQBOSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1CCC[C@@H](CN2C[C@H](O)CO2)C1 307113870 345817494 /nfs/dbraw/zinc/81/74/94/345817494.db2.gz BGEPWZWALYNJQW-MXWKQRLJSA-N 0 0 199.294 1.421 10 0 ADAERN CC[C@H](C)[C@H]1NC(=O)C12CCC2 307113855 345817509 /nfs/dbraw/zinc/81/75/09/345817509.db2.gz BDWMKPDHEXHAMC-JGVFFNPUSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@H](C)[C@@H]1NC(=O)C12CCC2 307113857 345817517 /nfs/dbraw/zinc/81/75/17/345817517.db2.gz BDWMKPDHEXHAMC-YUMQZZPRSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1CCC[C@H](CN2C[C@H](O)CO2)C1 307113871 345817531 /nfs/dbraw/zinc/81/75/31/345817531.db2.gz BGEPWZWALYNJQW-VWYCJHECSA-N 0 0 199.294 1.421 10 0 ADAERN CC[C@@H](NN)c1cc(C)ns1 307114201 345817540 /nfs/dbraw/zinc/81/75/40/345817540.db2.gz NCPYJDUJVOYZPA-ZCFIWIBFSA-N 0 0 171.269 1.366 10 0 ADAERN CC[C@@H](C)[C@@H]1NC(=O)C12CCC2 307113856 345817569 /nfs/dbraw/zinc/81/75/69/345817569.db2.gz BDWMKPDHEXHAMC-SFYZADRCSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@H](NN)c1cc(C)ns1 307114200 345817619 /nfs/dbraw/zinc/81/76/19/345817619.db2.gz NCPYJDUJVOYZPA-LURJTMIESA-N 0 0 171.269 1.366 10 0 ADAERN CC(C)=CC(=O)N[C@H](C)CF 307115239 345817888 /nfs/dbraw/zinc/81/78/88/345817888.db2.gz NUVGKHZMPHROGK-SSDOTTSWSA-N 0 0 159.204 1.427 10 0 ADAERN O=Cc1cc(F)cc(OC(F)F)n1 307115099 345817903 /nfs/dbraw/zinc/81/79/03/345817903.db2.gz VFDUYFNYZUYTGA-UHFFFAOYSA-N 0 0 191.108 1.635 10 0 ADAERN CC(C)=CC(=O)N[C@@H](C)CF 307115240 345817908 /nfs/dbraw/zinc/81/79/08/345817908.db2.gz NUVGKHZMPHROGK-ZETCQYMHSA-N 0 0 159.204 1.427 10 0 ADAERN COc1cc(C(N)=O)c(F)cc1F 307114957 345817914 /nfs/dbraw/zinc/81/79/14/345817914.db2.gz TUQXZTORZJQAET-UHFFFAOYSA-N 0 0 187.145 1.072 10 0 ADAERN COC(=O)Cc1cnc(F)c(F)c1 307115057 345817933 /nfs/dbraw/zinc/81/79/33/345817933.db2.gz CYHHVCYNFHJHCG-UHFFFAOYSA-N 0 0 187.145 1.075 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cn[nH]c2)[C@@H](C)O1 307114560 345818032 /nfs/dbraw/zinc/81/80/32/345818032.db2.gz NIVLTJDNDCMLCF-ZXFLCMHBSA-N 0 0 181.239 1.388 10 0 ADAERN C[C@@H]1C[C@H](Nc2cn[nH]c2)[C@@H](C)O1 307114552 345818120 /nfs/dbraw/zinc/81/81/20/345818120.db2.gz NIVLTJDNDCMLCF-BHNWBGBOSA-N 0 0 181.239 1.388 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1Nc1cn[nH]c1 307114555 345818175 /nfs/dbraw/zinc/81/81/75/345818175.db2.gz NIVLTJDNDCMLCF-BKPPORCPSA-N 0 0 181.239 1.388 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1Nc1cn[nH]c1 307114557 345818192 /nfs/dbraw/zinc/81/81/92/345818192.db2.gz NIVLTJDNDCMLCF-FJXKBIBVSA-N 0 0 181.239 1.388 10 0 ADAERN Nc1nc(CCC2CC2)ns1 307114857 345818194 /nfs/dbraw/zinc/81/81/94/345818194.db2.gz UZQOVTDDHDNSKF-UHFFFAOYSA-N 0 0 169.253 1.463 10 0 ADAERN COCCc1sc(N)nc1C 307116117 345818364 /nfs/dbraw/zinc/81/83/64/345818364.db2.gz XSWNYKQEMHYWJW-UHFFFAOYSA-N 0 0 172.253 1.223 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CCC[C@H]1C[C@H]12 307116193 345818393 /nfs/dbraw/zinc/81/83/93/345818393.db2.gz FDMPLIVTCUUWLG-PKIKSRDPSA-N 0 0 179.263 1.559 10 0 ADAERN Cc1c(C[NH3+])noc1C(C)(C)C 307116109 345818439 /nfs/dbraw/zinc/81/84/39/345818439.db2.gz XSBKODYXIZSZGX-UHFFFAOYSA-N 0 0 168.240 1.739 10 0 ADAERN Cc1nc([C@H]([NH3+])C2CC2)co1 307115752 345818469 /nfs/dbraw/zinc/81/84/69/345818469.db2.gz OBMGIDZGMODFIV-MRVPVSSYSA-N 0 0 152.197 1.393 10 0 ADAERN CC(C)CNc1ncc(F)cc1N 307115559 345818472 /nfs/dbraw/zinc/81/84/72/345818472.db2.gz DDMPVFMGOWGKBB-UHFFFAOYSA-N 0 0 183.230 1.871 10 0 ADAERN CC[C@H]1C[C@H]1c1nnc(NC)n1C 307115511 345818493 /nfs/dbraw/zinc/81/84/93/345818493.db2.gz WHJIARZGQCVGHZ-NKWVEPMBSA-N 0 0 180.255 1.370 10 0 ADAERN O=c1[nH]c([C@@H]2CCCO2)cs1 307115947 345818497 /nfs/dbraw/zinc/81/84/97/345818497.db2.gz DVNLKDCFCUPJLU-LURJTMIESA-N 0 0 171.221 1.288 10 0 ADAERN CC[C@@H]1C[C@@H]1c1nnc(NC)n1C 307115513 345818510 /nfs/dbraw/zinc/81/85/10/345818510.db2.gz WHJIARZGQCVGHZ-RQJHMYQMSA-N 0 0 180.255 1.370 10 0 ADAERN S=c1ccnc(-c2cncnc2)[nH]1 307115550 345818542 /nfs/dbraw/zinc/81/85/42/345818542.db2.gz DCQPLHXQUKNNPD-UHFFFAOYSA-N 0 0 190.231 1.596 10 0 ADAERN Cc1cncc(C(=O)CN2CCC2)c1 307116192 345818548 /nfs/dbraw/zinc/81/85/48/345818548.db2.gz FDJWYHCENQHUFQ-UHFFFAOYSA-N 0 0 190.246 1.278 10 0 ADAERN Cn1cc(-c2cc(Cl)on2)nn1 307115530 345818557 /nfs/dbraw/zinc/81/85/57/345818557.db2.gz WJUYJJBVLMTLPS-UHFFFAOYSA-N 0 0 184.586 1.124 10 0 ADAERN CC[C@@H]1C[C@H]1c1nnc(NC)n1C 307115512 345818598 /nfs/dbraw/zinc/81/85/98/345818598.db2.gz WHJIARZGQCVGHZ-RNFRBKRXSA-N 0 0 180.255 1.370 10 0 ADAERN CC[C@H]1C[C@@H]1c1nnc(NC)n1C 307115510 345818620 /nfs/dbraw/zinc/81/86/20/345818620.db2.gz WHJIARZGQCVGHZ-BQBZGAKWSA-N 0 0 180.255 1.370 10 0 ADAERN C[C@H](Nc1ccc(=O)[nH]c1)C(F)F 307115520 345818628 /nfs/dbraw/zinc/81/86/28/345818628.db2.gz WIAAUSKXXKXHDW-YFKPBYRVSA-N 0 0 188.177 1.853 10 0 ADAERN COc1c(C=O)cnc2[nH]ccc12 307115869 345818645 /nfs/dbraw/zinc/81/86/45/345818645.db2.gz WYOSXEWASPAILC-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN Nc1nc(C2CC2)ncc1F 307115566 345818691 /nfs/dbraw/zinc/81/86/91/345818691.db2.gz DFHZTJIKXJRDRN-UHFFFAOYSA-N 0 0 153.160 1.075 10 0 ADAERN O=c1[nH]c([C@H]2CCCO2)cs1 307115949 345818695 /nfs/dbraw/zinc/81/86/95/345818695.db2.gz DVNLKDCFCUPJLU-ZCFIWIBFSA-N 0 0 171.221 1.288 10 0 ADAERN CNc1nc(-c2nnc(C)[nH]2)cs1 307115798 345818711 /nfs/dbraw/zinc/81/87/11/345818711.db2.gz ODZXAWKMJLUCAX-UHFFFAOYSA-N 0 0 195.251 1.278 10 0 ADAERN Cc1nc([C@@H]([NH3+])C2CC2)co1 307115753 345818743 /nfs/dbraw/zinc/81/87/43/345818743.db2.gz OBMGIDZGMODFIV-QMMMGPOBSA-N 0 0 152.197 1.393 10 0 ADAERN C[C@@H](Nc1ccc(=O)[nH]c1)C(F)F 307115519 345818748 /nfs/dbraw/zinc/81/87/48/345818748.db2.gz WIAAUSKXXKXHDW-RXMQYKEDSA-N 0 0 188.177 1.853 10 0 ADAERN C[C@H]1CCc2cnc(=O)[nH]c21 307117392 345818988 /nfs/dbraw/zinc/81/89/88/345818988.db2.gz PIYRAICCRUMVHV-YFKPBYRVSA-N 0 0 150.181 1.232 10 0 ADAERN C[C@H]1CCC[C@@H]1c1ncc(N)cn1 307116726 345819013 /nfs/dbraw/zinc/81/90/13/345819013.db2.gz OWVBMNNUANKODN-CBAPKCEASA-N 0 0 177.251 1.962 10 0 ADAERN CNc1cc2c(nn1)[C@H]1C[C@H]1CC2 307117092 345819041 /nfs/dbraw/zinc/81/90/41/345819041.db2.gz CCBXDILPKYSVCT-SVRRBLITSA-N 0 0 175.235 1.568 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CCC[C@@H]1C[C@@H]12 307116194 345819061 /nfs/dbraw/zinc/81/90/61/345819061.db2.gz FDMPLIVTCUUWLG-SDNRWEOFSA-N 0 0 179.263 1.559 10 0 ADAERN C[C@@H]1CCc2cnc(=O)[nH]c21 307117391 345819116 /nfs/dbraw/zinc/81/91/16/345819116.db2.gz PIYRAICCRUMVHV-RXMQYKEDSA-N 0 0 150.181 1.232 10 0 ADAERN CC(F)(F)[C@@H](N)c1cncnc1 307117226 345819141 /nfs/dbraw/zinc/81/91/41/345819141.db2.gz AXFUYLJBTPZZSL-LURJTMIESA-N 0 0 173.166 1.132 10 0 ADAERN OC[C@@H]1[C@@H](c2ccccc2)[C@H]1F 307116711 345819146 /nfs/dbraw/zinc/81/91/46/345819146.db2.gz OVDVHFOOIAUFKH-BBBLOLIVSA-N 0 0 166.195 1.730 10 0 ADAERN CC(F)(F)[C@H](N)c1cncnc1 307117229 345819149 /nfs/dbraw/zinc/81/91/49/345819149.db2.gz AXFUYLJBTPZZSL-ZCFIWIBFSA-N 0 0 173.166 1.132 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1ncc(N)cn1 307116725 345819195 /nfs/dbraw/zinc/81/91/95/345819195.db2.gz OWVBMNNUANKODN-APPZFPTMSA-N 0 0 177.251 1.962 10 0 ADAERN C[C@@H]1CCC[C@H]1c1ncc(N)cn1 307116728 345819203 /nfs/dbraw/zinc/81/92/03/345819203.db2.gz OWVBMNNUANKODN-VXNVDRBHSA-N 0 0 177.251 1.962 10 0 ADAERN COC1CN(c2cccc(N)c2C)C1 307116494 345819206 /nfs/dbraw/zinc/81/92/06/345819206.db2.gz FSPOTVLKLIUVHP-UHFFFAOYSA-N 0 0 192.262 1.412 10 0 ADAERN CNc1cc2c(nn1)[C@@H]1C[C@@H]1CC2 307117090 345819228 /nfs/dbraw/zinc/81/92/28/345819228.db2.gz CCBXDILPKYSVCT-POYBYMJQSA-N 0 0 175.235 1.568 10 0 ADAERN C[C@H]1CCC[C@H]1c1ncc(N)cn1 307116727 345819231 /nfs/dbraw/zinc/81/92/31/345819231.db2.gz OWVBMNNUANKODN-IONNQARKSA-N 0 0 177.251 1.962 10 0 ADAERN Nc1cncc(Cl)c1-n1ccnc1 307116753 345819235 /nfs/dbraw/zinc/81/92/35/345819235.db2.gz PALTWVUDNKMWDZ-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN COc1ccc2c(c1)[C@H](N)N=N2 307118517 345819436 /nfs/dbraw/zinc/81/94/36/345819436.db2.gz XAUOUPPTCJDYCA-MRVPVSSYSA-N 0 0 163.180 1.750 10 0 ADAERN CNc1nc(-c2coc(C)n2)ns1 307118429 345819590 /nfs/dbraw/zinc/81/95/90/345819590.db2.gz QPQXLNPOJXYHGX-UHFFFAOYSA-N 0 0 196.235 1.543 10 0 ADAERN COc1c[nH]c(=O)c(C(F)(F)F)c1 307117763 345819682 /nfs/dbraw/zinc/81/96/82/345819682.db2.gz VHRLOMIOUCDYEP-UHFFFAOYSA-N 0 0 193.124 1.815 10 0 ADAERN Cc1nc(-c2nccc(=O)[nH]2)co1 307118052 345819698 /nfs/dbraw/zinc/81/96/98/345819698.db2.gz QFGRLFWGNLWNMS-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN COc1c(N)c(F)cc(F)c1F 307118544 345819706 /nfs/dbraw/zinc/81/97/06/345819706.db2.gz XCVBMPZNPRDHRQ-UHFFFAOYSA-N 0 0 177.125 1.695 10 0 ADAERN COc1ccc2c(c1)[C@@H](N)N=N2 307118519 345819723 /nfs/dbraw/zinc/81/97/23/345819723.db2.gz XAUOUPPTCJDYCA-QMMMGPOBSA-N 0 0 163.180 1.750 10 0 ADAERN Cn1cnc([C@H]2CCCC2=O)c1 307119138 345820155 /nfs/dbraw/zinc/82/01/55/345820155.db2.gz YWXQIYOPGRCAIN-SSDOTTSWSA-N 0 0 164.208 1.257 10 0 ADAERN CC1(C)C[C@H]1c1n[nH]cc1N 307120057 345820227 /nfs/dbraw/zinc/82/02/27/345820227.db2.gz HONOSTSOARQAQW-YFKPBYRVSA-N 0 0 151.213 1.505 10 0 ADAERN CC1(C)C[C@@H]1c1n[nH]cc1N 307120056 345820268 /nfs/dbraw/zinc/82/02/68/345820268.db2.gz HONOSTSOARQAQW-RXMQYKEDSA-N 0 0 151.213 1.505 10 0 ADAERN O=Cc1cncc(OC(F)F)c1F 307119627 345820278 /nfs/dbraw/zinc/82/02/78/345820278.db2.gz ZVIKVBHAURXTSM-UHFFFAOYSA-N 0 0 191.108 1.635 10 0 ADAERN Cn1cnc([C@@H]2CCCC2=O)c1 307119329 345820306 /nfs/dbraw/zinc/82/03/06/345820306.db2.gz YWXQIYOPGRCAIN-ZETCQYMHSA-N 0 0 164.208 1.257 10 0 ADAERN O=C(c1cccnc1Cl)N1CCC1 307120202 345820915 /nfs/dbraw/zinc/82/09/15/345820915.db2.gz HHZZEAWFJIAFDT-UHFFFAOYSA-N 0 0 196.637 1.581 10 0 ADAERN C[C@H](c1nc(N)n(C)n1)C(C)(C)C 307120571 345820945 /nfs/dbraw/zinc/82/09/45/345820945.db2.gz HXZADTMDUJMNGC-ZCFIWIBFSA-N 0 0 182.271 1.547 10 0 ADAERN FCCn1c(=S)[nH]c2cnccc21 307120476 345821035 /nfs/dbraw/zinc/82/10/35/345821035.db2.gz HLDFLQVUZONJGI-UHFFFAOYSA-N 0 0 197.238 1.690 10 0 ADAERN C[C@H](O)[C@@H]1CC[C@H]2C[C@H]21 307121173 345821051 /nfs/dbraw/zinc/82/10/51/345821051.db2.gz KGJNSZVCYICKNH-DKXJUACHSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@H](O)[C@@H]1CC[C@@H]2C[C@@H]21 307121176 345821054 /nfs/dbraw/zinc/82/10/54/345821054.db2.gz KGJNSZVCYICKNH-YWIQKCBGSA-N 0 0 126.199 1.413 10 0 ADAERN C[C@@H](c1nc(N)n(C)n1)C(C)(C)C 307120570 345821084 /nfs/dbraw/zinc/82/10/84/345821084.db2.gz HXZADTMDUJMNGC-LURJTMIESA-N 0 0 182.271 1.547 10 0 ADAERN Cc1nc([C@@H]2CNC(=O)[C@H]2C)cs1 307122134 345821379 /nfs/dbraw/zinc/82/13/79/345821379.db2.gz KVXFEWAFIMMRFN-CAHLUQPWSA-N 0 0 196.275 1.301 10 0 ADAERN C[C@H]1CCN[C@@H](c2nccn2C)S1 307121441 345821399 /nfs/dbraw/zinc/82/13/99/345821399.db2.gz UMFVTGBGNZRCQA-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN C=C(Cl)C(=O)N[C@H](C)CC 307121584 345821404 /nfs/dbraw/zinc/82/14/04/345821404.db2.gz JPISIBPSONYIEZ-RXMQYKEDSA-N 0 0 161.632 1.654 10 0 ADAERN C=C(Cl)C(=O)N[C@@H](C)CC 307121585 345821411 /nfs/dbraw/zinc/82/14/11/345821411.db2.gz JPISIBPSONYIEZ-YFKPBYRVSA-N 0 0 161.632 1.654 10 0 ADAERN CC[C@H](NN)c1cocc1C 307121889 345821802 /nfs/dbraw/zinc/82/18/02/345821802.db2.gz KJYNQKSUPJICFY-QMMMGPOBSA-N 0 0 154.213 1.502 10 0 ADAERN CCCOc1cnc(Cl)cn1 307121688 345821517 /nfs/dbraw/zinc/82/15/17/345821517.db2.gz JWTWPGJGUUNULG-UHFFFAOYSA-N 0 0 172.615 1.919 10 0 ADAERN Cn1ccc(C(=O)C(C)(C)F)n1 307121315 345821523 /nfs/dbraw/zinc/82/15/23/345821523.db2.gz IWRVFLMYRWLCLG-UHFFFAOYSA-N 0 0 170.187 1.351 10 0 ADAERN CC[C@@H](NN)c1cocc1C 307121888 345821548 /nfs/dbraw/zinc/82/15/48/345821548.db2.gz KJYNQKSUPJICFY-MRVPVSSYSA-N 0 0 154.213 1.502 10 0 ADAERN Cc1nc([C@H]2CNC(=O)[C@@H]2C)cs1 307122137 345821560 /nfs/dbraw/zinc/82/15/60/345821560.db2.gz KVXFEWAFIMMRFN-VDTYLAMSSA-N 0 0 196.275 1.301 10 0 ADAERN C[C@@H]1CCN[C@@H](c2nccn2C)S1 307121442 345821572 /nfs/dbraw/zinc/82/15/72/345821572.db2.gz UMFVTGBGNZRCQA-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CCN[C@H](c2nccn2C)S1 307121440 345821620 /nfs/dbraw/zinc/82/16/20/345821620.db2.gz UMFVTGBGNZRCQA-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN C[C@@H]1CCN[C@H](c2nccn2C)S1 307121439 345821624 /nfs/dbraw/zinc/82/16/24/345821624.db2.gz UMFVTGBGNZRCQA-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN Cc1nc([C@@H]2CNC(=O)[C@@H]2C)cs1 307122136 345821689 /nfs/dbraw/zinc/82/16/89/345821689.db2.gz KVXFEWAFIMMRFN-IYSWYEEDSA-N 0 0 196.275 1.301 10 0 ADAERN O=C(NC1CC=CC1)C1=CCCO1 307121988 345821721 /nfs/dbraw/zinc/82/17/21/345821721.db2.gz VDWQIRLXRQBCBG-UHFFFAOYSA-N 0 0 179.219 1.125 10 0 ADAERN Cc1nsc2ncc(C(N)=O)cc12 307121471 345821734 /nfs/dbraw/zinc/82/17/34/345821734.db2.gz UORSIUPJSAAUSJ-UHFFFAOYSA-N 0 0 193.231 1.099 10 0 ADAERN Cc1nc([C@H]2CNC(=O)[C@H]2C)cs1 307122135 345821820 /nfs/dbraw/zinc/82/18/20/345821820.db2.gz KVXFEWAFIMMRFN-FSPLSTOPSA-N 0 0 196.275 1.301 10 0 ADAERN O=C1C[C@@]2(CC3CCC2CC3)N1 307122592 345822153 /nfs/dbraw/zinc/82/21/53/345822153.db2.gz WDOWCEFZNFDSPI-SFVIPPHHSA-N 0 0 165.236 1.455 10 0 ADAERN O=C1C[C@]2(CC3CCC2CC3)N1 307122591 345822199 /nfs/dbraw/zinc/82/21/99/345822199.db2.gz WDOWCEFZNFDSPI-KTOWXAHTSA-N 0 0 165.236 1.455 10 0 ADAERN CC(C)CNC(=O)Nc1ncco1 307122882 345822350 /nfs/dbraw/zinc/82/23/50/345822350.db2.gz WNLNJDFLJCBZRJ-UHFFFAOYSA-N 0 0 183.211 1.452 10 0 ADAERN CCc1c(N)noc1[C@]1(C)C[C@@H]1F 307123999 345822620 /nfs/dbraw/zinc/82/26/20/345822620.db2.gz PZPNUDOXVDNPNI-IMTBSYHQSA-N 0 0 184.214 1.819 10 0 ADAERN CCc1c(N)noc1[C@@]1(C)C[C@@H]1F 307124001 345822739 /nfs/dbraw/zinc/82/27/39/345822739.db2.gz PZPNUDOXVDNPNI-RCOVLWMOSA-N 0 0 184.214 1.819 10 0 ADAERN C[S@](=O)CCNc1ccsc1 307123286 345822755 /nfs/dbraw/zinc/82/27/55/345822755.db2.gz NXSFXNBEAZHCET-NSHDSACASA-N 0 0 189.305 1.539 10 0 ADAERN C[S@@](=O)CCNc1ccsc1 307123285 345822916 /nfs/dbraw/zinc/82/29/16/345822916.db2.gz NXSFXNBEAZHCET-LLVKDONJSA-N 0 0 189.305 1.539 10 0 ADAERN CCc1c(N)noc1[C@@]1(C)C[C@H]1F 307124000 345822939 /nfs/dbraw/zinc/82/29/39/345822939.db2.gz PZPNUDOXVDNPNI-MUWHJKNJSA-N 0 0 184.214 1.819 10 0 ADAERN CCc1c(N)noc1[C@]1(C)C[C@H]1F 307123998 345823038 /nfs/dbraw/zinc/82/30/38/345823038.db2.gz PZPNUDOXVDNPNI-HZGVNTEJSA-N 0 0 184.214 1.819 10 0 ADAERN C[C@@H]1CNc2cc(F)cnc2N1C 307124261 345823228 /nfs/dbraw/zinc/82/32/28/345823228.db2.gz QQCVSEKVRCIXFA-ZCFIWIBFSA-N 0 0 181.214 1.471 10 0 ADAERN C[C@H]1CNc2cc(F)cnc2N1C 307124260 345823394 /nfs/dbraw/zinc/82/33/94/345823394.db2.gz QQCVSEKVRCIXFA-LURJTMIESA-N 0 0 181.214 1.471 10 0 ADAERN Cc1cnc(Cl)nc1N1CCC1 307124377 345823398 /nfs/dbraw/zinc/82/33/98/345823398.db2.gz QZDBYUCCSPNCAZ-UHFFFAOYSA-N 0 0 183.642 1.649 10 0 ADAERN Cc1ncc(NCC2CC2)cn1 307124659 345823536 /nfs/dbraw/zinc/82/35/36/345823536.db2.gz YVISDYRDVOYCGC-UHFFFAOYSA-N 0 0 163.224 1.607 10 0 ADAERN NC(=S)N[C@@H]1CCCCC1(F)F 307126301 345823856 /nfs/dbraw/zinc/82/38/56/345823856.db2.gz CQLUMMWUBONOPF-RXMQYKEDSA-N 0 0 194.250 1.398 10 0 ADAERN C[C@@H]1CC(C)(C)[N@@H+]1[C@H](C)C(=O)[O-] 307125964 345823941 /nfs/dbraw/zinc/82/39/41/345823941.db2.gz IHDNPEZBBGXNBV-RNFRBKRXSA-N 0 0 171.240 1.332 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1[C@H](C)CC1(C)C 307125973 345823964 /nfs/dbraw/zinc/82/39/64/345823964.db2.gz IHDNPEZBBGXNBV-RQJHMYQMSA-N 0 0 171.240 1.332 10 0 ADAERN NC(=S)N[C@H]1CCCCC1(F)F 307126303 345823992 /nfs/dbraw/zinc/82/39/92/345823992.db2.gz CQLUMMWUBONOPF-YFKPBYRVSA-N 0 0 194.250 1.398 10 0 ADAERN C[C@H]1CC(C)(C)[N@@H+]1[C@H](C)C(=O)[O-] 307125958 345824020 /nfs/dbraw/zinc/82/40/20/345824020.db2.gz IHDNPEZBBGXNBV-NKWVEPMBSA-N 0 0 171.240 1.332 10 0 ADAERN C[C@H]1CC(C)(C)[N@@H+]1[C@@H](C)C(=O)[O-] 307125954 345824246 /nfs/dbraw/zinc/82/42/46/345824246.db2.gz IHDNPEZBBGXNBV-BQBZGAKWSA-N 0 0 171.240 1.332 10 0 ADAERN NC(=O)c1ccc(C2CC2)s1 307126330 345824092 /nfs/dbraw/zinc/82/40/92/345824092.db2.gz CSXVCJDTJKNHJX-UHFFFAOYSA-N 0 0 167.233 1.724 10 0 ADAERN Fc1cnc(Br)nc1F 307125743 345824142 /nfs/dbraw/zinc/82/41/42/345824142.db2.gz LDUJBKUDEUWUJB-UHFFFAOYSA-N 0 0 194.966 1.517 10 0 ADAERN CCn1nccc1[C@](C)(O)C1CCC1 307125631 345824273 /nfs/dbraw/zinc/82/42/73/345824273.db2.gz AWSRTTHWEWMEAV-LLVKDONJSA-N 0 0 194.278 1.911 10 0 ADAERN CCn1nccc1[C@@](C)(O)C1CCC1 307125639 345824291 /nfs/dbraw/zinc/82/42/91/345824291.db2.gz AWSRTTHWEWMEAV-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN O=C(N[C@H]1[C@H]2CCC[C@H]21)N1CCC1 307127062 345824682 /nfs/dbraw/zinc/82/46/82/345824682.db2.gz DHBDIQGMKGQDCJ-AYMMMOKOSA-N 0 0 180.251 1.200 10 0 ADAERN CCN(OC)c1ncc(N)s1 307126389 345824706 /nfs/dbraw/zinc/82/47/06/345824706.db2.gz LQFRCEGMLVTUTA-UHFFFAOYSA-N 0 0 173.241 1.113 10 0 ADAERN Cc1nc(C2CC2)sc1C(N)=O 307126882 345824709 /nfs/dbraw/zinc/82/47/09/345824709.db2.gz BSEUNECUGQYDRO-UHFFFAOYSA-N 0 0 182.248 1.428 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@H](C)[C@@H]1C 307127701 345825635 /nfs/dbraw/zinc/82/56/35/345825635.db2.gz DSZRIDODEYYOOL-VMHSAVOQSA-N 0 0 187.670 1.900 10 0 ADAERN N#CN[C@@H]1CC12CCCC2 307126568 345824776 /nfs/dbraw/zinc/82/47/76/345824776.db2.gz BPYPDVHINVAQFL-SSDOTTSWSA-N 0 0 136.198 1.390 10 0 ADAERN N#CN[C@H]1CC12CCCC2 307126569 345824877 /nfs/dbraw/zinc/82/48/77/345824877.db2.gz BPYPDVHINVAQFL-ZETCQYMHSA-N 0 0 136.198 1.390 10 0 ADAERN CC1(C)C[C@](O)(c2ccc[nH]2)CO1 307126861 345824918 /nfs/dbraw/zinc/82/49/18/345824918.db2.gz MVRIRXPGSLCNQV-SNVBAGLBSA-N 0 0 181.235 1.401 10 0 ADAERN CC1(C)C[C@@](O)(c2ccc[nH]2)CO1 307126860 345824943 /nfs/dbraw/zinc/82/49/43/345824943.db2.gz MVRIRXPGSLCNQV-JTQLQIEISA-N 0 0 181.235 1.401 10 0 ADAERN Cn1cnnc1-c1cccc(O)c1 307127826 345825317 /nfs/dbraw/zinc/82/53/17/345825317.db2.gz CSNAXIUBDNYPHX-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN O=C(c1cscn1)[C@H]1CCCO1 307127432 345825385 /nfs/dbraw/zinc/82/53/85/345825385.db2.gz CIYGSNOIFALQKG-SSDOTTSWSA-N 0 0 183.232 1.505 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@H](C)[C@H]1C 307127700 345825449 /nfs/dbraw/zinc/82/54/49/345825449.db2.gz DSZRIDODEYYOOL-SHYZEUOFSA-N 0 0 187.670 1.900 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@@H](C)[C@@H]1C 307127699 345825550 /nfs/dbraw/zinc/82/55/50/345825550.db2.gz DSZRIDODEYYOOL-GKROBHDKSA-N 0 0 187.670 1.900 10 0 ADAERN O=C(c1cscn1)[C@@H]1CCCO1 307127434 345825579 /nfs/dbraw/zinc/82/55/79/345825579.db2.gz CIYGSNOIFALQKG-ZETCQYMHSA-N 0 0 183.232 1.505 10 0 ADAERN Cc1cc(OC(N)=O)c(C)cc1N 307127251 345825646 /nfs/dbraw/zinc/82/56/46/345825646.db2.gz IUTAZAUSEMKOSP-UHFFFAOYSA-N 0 0 180.207 1.343 10 0 ADAERN Cc1ocnc1CNc1nncs1 307127584 345825690 /nfs/dbraw/zinc/82/56/90/345825690.db2.gz WCWXTLOHYNLMEG-UHFFFAOYSA-N 0 0 196.235 1.447 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1C[C@@H](C)[C@H]1C 307127698 345825711 /nfs/dbraw/zinc/82/57/11/345825711.db2.gz DSZRIDODEYYOOL-ATRFCDNQSA-N 0 0 187.670 1.900 10 0 ADAERN C[C@@H]1C[C@H](Nc2ncns2)[C@@H](C)O1 307128695 345825876 /nfs/dbraw/zinc/82/58/76/345825876.db2.gz DFIMCBSBYSFFFC-QYNIQEEDSA-N 0 0 199.279 1.516 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ncns2)[C@@H](C)O1 307128693 345826005 /nfs/dbraw/zinc/82/60/05/345826005.db2.gz DFIMCBSBYSFFFC-FSDSQADBSA-N 0 0 199.279 1.516 10 0 ADAERN Cc1nc([C@H]([NH3+])C2=COCC2)cs1 307128684 345826059 /nfs/dbraw/zinc/82/60/59/345826059.db2.gz XKCJZDCSRKCUQQ-SECBINFHSA-N 0 0 196.275 1.756 10 0 ADAERN Nc1cnccc1-c1ccns1 307128635 345826084 /nfs/dbraw/zinc/82/60/84/345826084.db2.gz XDGBJKUSBJLAKQ-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1Nc1ncns1 307128696 345826091 /nfs/dbraw/zinc/82/60/91/345826091.db2.gz DFIMCBSBYSFFFC-VQVTYTSYSA-N 0 0 199.279 1.516 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1Nc1ncns1 307128690 345826121 /nfs/dbraw/zinc/82/61/21/345826121.db2.gz DFIMCBSBYSFFFC-DSYKOEDSSA-N 0 0 199.279 1.516 10 0 ADAERN COCCNc1ccc(Cl)nc1 307128859 345826150 /nfs/dbraw/zinc/82/61/50/345826150.db2.gz PFCRKACOJDXIFB-UHFFFAOYSA-N 0 0 186.642 1.793 10 0 ADAERN Cc1nc([C@@H]([NH3+])C2=COCC2)cs1 307128685 345826196 /nfs/dbraw/zinc/82/61/96/345826196.db2.gz XKCJZDCSRKCUQQ-VIFPVBQESA-N 0 0 196.275 1.756 10 0 ADAERN Cc1nc(N2CCC2)sc1C[NH3+] 307128860 345826230 /nfs/dbraw/zinc/82/62/30/345826230.db2.gz PFDDVCXMFXWPAB-UHFFFAOYSA-N 0 0 183.280 1.120 10 0 ADAERN CCOc1ccc2[nH]c(=S)[nH]c2n1 307128633 345826257 /nfs/dbraw/zinc/82/62/57/345826257.db2.gz XDESRWKJQMCKSG-UHFFFAOYSA-N 0 0 195.247 1.645 10 0 ADAERN C/C=C/CNc1cncc(N)n1 307128179 345826290 /nfs/dbraw/zinc/82/62/90/345826290.db2.gz CXXXJHJKMAXOTC-NSCUHMNNSA-N 0 0 164.212 1.047 10 0 ADAERN Clc1cccc(CN2CCCN2)n1 307129778 345826672 /nfs/dbraw/zinc/82/66/72/345826672.db2.gz YBAUDHCQYWHCDD-UHFFFAOYSA-N 0 0 197.669 1.445 10 0 ADAERN NN[C@@H](c1ccsn1)C1CC1 307129832 345826745 /nfs/dbraw/zinc/82/67/45/345826745.db2.gz YGYQBYTXQMWHKJ-SSDOTTSWSA-N 0 0 169.253 1.058 10 0 ADAERN NN[C@H](c1ccsn1)C1CC1 307129834 345826821 /nfs/dbraw/zinc/82/68/21/345826821.db2.gz YGYQBYTXQMWHKJ-ZETCQYMHSA-N 0 0 169.253 1.058 10 0 ADAERN Cc1nccnc1N[C@@H](C)C(F)F 307129121 345826856 /nfs/dbraw/zinc/82/68/56/345826856.db2.gz DWKWQYFSBODGSO-YFKPBYRVSA-N 0 0 187.193 1.851 10 0 ADAERN CC(C)n1ncnc1C(=O)C(F)F 307128938 345826891 /nfs/dbraw/zinc/82/68/91/345826891.db2.gz PRYJECRMSDEOIK-UHFFFAOYSA-N 0 0 189.165 1.307 10 0 ADAERN Cc1nccnc1N[C@H](C)C(F)F 307129120 345826956 /nfs/dbraw/zinc/82/69/56/345826956.db2.gz DWKWQYFSBODGSO-RXMQYKEDSA-N 0 0 187.193 1.851 10 0 ADAERN Cc1ccn(Cc2csnn2)n1 307129850 345826968 /nfs/dbraw/zinc/82/69/68/345826968.db2.gz YJFRBYZOLAKWRX-UHFFFAOYSA-N 0 0 180.236 1.091 10 0 ADAERN COc1nc(NCCF)ccc1N 307128895 345826990 /nfs/dbraw/zinc/82/69/90/345826990.db2.gz PLXDBFTYZNYPDG-UHFFFAOYSA-N 0 0 185.202 1.054 10 0 ADAERN Cc1csc(N[C@@H](C)[C@H](C)O)n1 307130592 345827248 /nfs/dbraw/zinc/82/72/48/345827248.db2.gz KMVVSWRWCYZQDE-BQBZGAKWSA-N 0 0 186.280 1.633 10 0 ADAERN CNC(=O)N1CCCC[C@@H](F)C1 307130847 345827297 /nfs/dbraw/zinc/82/72/97/345827297.db2.gz FYNDFHDUSUIPCX-SSDOTTSWSA-N 0 0 174.219 1.150 10 0 ADAERN Cc1ccc(-c2csc(N)n2)nn1 307130530 345827312 /nfs/dbraw/zinc/82/73/12/345827312.db2.gz RPVWXEUBTOHMRH-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1csc(N[C@@H](C)[C@@H](C)O)n1 307130595 345827454 /nfs/dbraw/zinc/82/74/54/345827454.db2.gz KMVVSWRWCYZQDE-NKWVEPMBSA-N 0 0 186.280 1.633 10 0 ADAERN Cc1csc(N[C@H](C)[C@@H](C)O)n1 307130597 345827483 /nfs/dbraw/zinc/82/74/83/345827483.db2.gz KMVVSWRWCYZQDE-RNFRBKRXSA-N 0 0 186.280 1.633 10 0 ADAERN Cc1cc(/C=C/CO)c(C)[nH]1 307130067 345827540 /nfs/dbraw/zinc/82/75/40/345827540.db2.gz KLYOIEBHUOFBOV-ONEGZZNKSA-N 0 0 151.209 1.637 10 0 ADAERN Cc1csc(N[C@H](C)[C@H](C)O)n1 307130599 345827572 /nfs/dbraw/zinc/82/75/72/345827572.db2.gz KMVVSWRWCYZQDE-RQJHMYQMSA-N 0 0 186.280 1.633 10 0 ADAERN CC1(C)CN(C(=S)NC2CC2)C1 307130770 345827602 /nfs/dbraw/zinc/82/76/02/345827602.db2.gz ZJPIKNNRQPEXPV-UHFFFAOYSA-N 0 0 184.308 1.365 10 0 ADAERN CSCC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 307130477 345827632 /nfs/dbraw/zinc/82/76/32/345827632.db2.gz GFXPEOZGXWOYFO-DJLDLDEBSA-N 0 0 199.319 1.654 10 0 ADAERN Nc1cc2c[nH]nc2cc1N1CCC1 307131120 345827720 /nfs/dbraw/zinc/82/77/20/345827720.db2.gz KWNKJYOFEBZEQV-UHFFFAOYSA-N 0 0 188.234 1.355 10 0 ADAERN Cc1oncc1C(=O)N[C@@H]1C[C@H]1C 307130911 345827852 /nfs/dbraw/zinc/82/78/52/345827852.db2.gz GHRXALWVIOYKKW-SVGQVSJJSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1oncc1C(=O)N[C@@H]1C[C@@H]1C 307130914 345827876 /nfs/dbraw/zinc/82/78/76/345827876.db2.gz GHRXALWVIOYKKW-YLWLKBPMSA-N 0 0 180.207 1.121 10 0 ADAERN CCC1(Nc2ccncn2)CC1 307131450 345827936 /nfs/dbraw/zinc/82/79/36/345827936.db2.gz GMYIOALAIPNTGO-UHFFFAOYSA-N 0 0 163.224 1.831 10 0 ADAERN CC1(C)C(=O)N[C@H]1C1CCCC1 307131350 345827967 /nfs/dbraw/zinc/82/79/67/345827967.db2.gz ZZDXSBBQOKNTDK-QMMMGPOBSA-N 0 0 167.252 1.701 10 0 ADAERN CNc1nnc(C(F)F)s1 307131107 345827977 /nfs/dbraw/zinc/82/79/77/345827977.db2.gz GKVIJFLPPKDRLS-UHFFFAOYSA-N 0 0 165.168 1.517 10 0 ADAERN CSc1cc(=O)c(Cl)nn1C 307131394 345827990 /nfs/dbraw/zinc/82/79/90/345827990.db2.gz GEWOSLDTEPKSCQ-UHFFFAOYSA-N 0 0 190.655 1.156 10 0 ADAERN CNC(=O)N1CCCC[C@H](F)C1 307130848 345828075 /nfs/dbraw/zinc/82/80/75/345828075.db2.gz FYNDFHDUSUIPCX-ZETCQYMHSA-N 0 0 174.219 1.150 10 0 ADAERN Cc1oncc1C(=O)N[C@H]1C[C@H]1C 307130913 345828113 /nfs/dbraw/zinc/82/81/13/345828113.db2.gz GHRXALWVIOYKKW-XRGYYRRGSA-N 0 0 180.207 1.121 10 0 ADAERN CCNC(=O)C(F)=C(C)C 307131678 345828132 /nfs/dbraw/zinc/82/81/32/345828132.db2.gz HBUHVBJTHCNKRM-UHFFFAOYSA-N 0 0 145.177 1.386 10 0 ADAERN COc1cc(F)c(O)c(OC)c1 307131077 345828147 /nfs/dbraw/zinc/82/81/47/345828147.db2.gz STISWWGBFFPDSA-UHFFFAOYSA-N 0 0 172.155 1.549 10 0 ADAERN CC1(C)C(=O)N[C@@H]1C1CCCC1 307131349 345828175 /nfs/dbraw/zinc/82/81/75/345828175.db2.gz ZZDXSBBQOKNTDK-MRVPVSSYSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1oncc1C(=O)N[C@H]1C[C@@H]1C 307130912 345828181 /nfs/dbraw/zinc/82/81/81/345828181.db2.gz GHRXALWVIOYKKW-XNCJUZBTSA-N 0 0 180.207 1.121 10 0 ADAERN CC(C)[C@@]1(O)CC[C@@H]1C 307132648 345828437 /nfs/dbraw/zinc/82/84/37/345828437.db2.gz HFTUXYHOWXEKBN-YUMQZZPRSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@]2(COCC(=O)N2)C1 307131761 345828493 /nfs/dbraw/zinc/82/84/93/345828493.db2.gz LHULJDKYUDBUCB-DOFRTFSJSA-N 0 0 197.278 1.328 10 0 ADAERN Cc1nnc(NC(=O)C2=CCC2)s1 307132186 345828499 /nfs/dbraw/zinc/82/84/99/345828499.db2.gz GZUAVAZUZPSZRX-UHFFFAOYSA-N 0 0 195.247 1.505 10 0 ADAERN CC(C)[C@]1(O)CC[C@@H]1C 307132646 345828512 /nfs/dbraw/zinc/82/85/12/345828512.db2.gz HFTUXYHOWXEKBN-JGVFFNPUSA-N 0 0 128.215 1.803 10 0 ADAERN CC[S@](=O)Nc1cccc(C)c1O 307131856 345828570 /nfs/dbraw/zinc/82/85/70/345828570.db2.gz LMQWQHJIKQECJV-ZDUSSCGKSA-N 0 0 199.275 1.796 10 0 ADAERN CC(C)[C@]1(O)CC[C@H]1C 307132645 345828592 /nfs/dbraw/zinc/82/85/92/345828592.db2.gz HFTUXYHOWXEKBN-HTQZYQBOSA-N 0 0 128.215 1.803 10 0 ADAERN CC(C)[C@@]1(O)CC[C@H]1C 307132647 345828628 /nfs/dbraw/zinc/82/86/28/345828628.db2.gz HFTUXYHOWXEKBN-SFYZADRCSA-N 0 0 128.215 1.803 10 0 ADAERN Nc1[nH]oc(=[NH2+])c1-c1ccccc1 307131908 345828662 /nfs/dbraw/zinc/82/86/62/345828662.db2.gz GSOFSOIMTGBUHA-UHFFFAOYSA-N 0 0 175.191 1.336 10 0 ADAERN CC[S@@](=O)Nc1cccc(C)c1O 307131855 345828678 /nfs/dbraw/zinc/82/86/78/345828678.db2.gz LMQWQHJIKQECJV-CYBMUJFWSA-N 0 0 199.275 1.796 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(COCC(=O)N2)C1 307131763 345828829 /nfs/dbraw/zinc/82/88/29/345828829.db2.gz LHULJDKYUDBUCB-RKDXNWHRSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@H]1C[C@H](C)CC2(COCC(=O)N2)C1 307131762 345828844 /nfs/dbraw/zinc/82/88/44/345828844.db2.gz 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/nfs/dbraw/zinc/83/18/89/345831889.db2.gz WPESIKUVTBSCPA-ZETCQYMHSA-N 0 0 195.291 1.783 10 0 ADAERN Cn1ccnc1[C@H]1NC(C)(C)CS1 307136988 345831917 /nfs/dbraw/zinc/83/19/17/345831917.db2.gz WDMURCUOFKAMGB-QMMMGPOBSA-N 0 0 197.307 1.534 10 0 ADAERN CC(C)[C@@H]1C[C@H]1C(=O)NC1CCC1 307137376 345831934 /nfs/dbraw/zinc/83/19/34/345831934.db2.gz XBAUTQACYCPPJI-VHSXEESVSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@H]1CCC[C@H]1c1noc(C=O)n1 307137194 345831947 /nfs/dbraw/zinc/83/19/47/345831947.db2.gz WOSVBPGVTNNERS-NKWVEPMBSA-N 0 0 180.207 1.786 10 0 ADAERN C[C@@H]1CCC[C@H]1c1noc(C=O)n1 307137195 345831974 /nfs/dbraw/zinc/83/19/74/345831974.db2.gz WOSVBPGVTNNERS-RNFRBKRXSA-N 0 0 180.207 1.786 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1noc(C=O)n1 307137196 345831991 /nfs/dbraw/zinc/83/19/91/345831991.db2.gz WOSVBPGVTNNERS-RQJHMYQMSA-N 0 0 180.207 1.786 10 0 ADAERN C[C@H]1NC(=O)[C@H]1C1CCCCC1 307137316 345832001 /nfs/dbraw/zinc/83/20/01/345832001.db2.gz WWSXFXALJFWCHQ-VXNVDRBHSA-N 0 0 167.252 1.701 10 0 ADAERN 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CC[C@]1([C@@H]2CC2(C)C)COC(N)=N1 307139579 345833628 /nfs/dbraw/zinc/83/36/28/345833628.db2.gz IMWPKJVGKVWVGD-GMSGAONNSA-N 0 0 182.267 1.526 10 0 ADAERN C[C@H]1CSC[C@H]1Nc1cccnn1 307140340 345833663 /nfs/dbraw/zinc/83/36/63/345833663.db2.gz HZECYVFOPCEPIT-JGVFFNPUSA-N 0 0 195.291 1.640 10 0 ADAERN C[C@@H]1CSC[C@H]1Nc1cccnn1 307140339 345833671 /nfs/dbraw/zinc/83/36/71/345833671.db2.gz HZECYVFOPCEPIT-HTQZYQBOSA-N 0 0 195.291 1.640 10 0 ADAERN Cc1c[nH]nc1-c1nnc(Cl)o1 307140116 345833694 /nfs/dbraw/zinc/83/36/94/345833694.db2.gz HUBAFVQOALSMBT-UHFFFAOYSA-N 0 0 184.586 1.422 10 0 ADAERN CC[C@@]1([C@@H]2CC2(C)C)COC(N)=N1 307139581 345833733 /nfs/dbraw/zinc/83/37/33/345833733.db2.gz IMWPKJVGKVWVGD-XCBNKYQSSA-N 0 0 182.267 1.526 10 0 ADAERN Cc1csc([C@@H](C)NN)c1 307139560 345833850 /nfs/dbraw/zinc/83/38/50/345833850.db2.gz APQRZPVGFGMPLH-ZCFIWIBFSA-N 0 0 156.254 1.581 10 0 ADAERN CC[C@]1([C@H]2CC2(C)C)COC(N)=N1 307139580 345833859 /nfs/dbraw/zinc/83/38/59/345833859.db2.gz IMWPKJVGKVWVGD-OIBJUYFYSA-N 0 0 182.267 1.526 10 0 ADAERN NC(=O)N[C@H]1CC12CCCCC2 307139977 345833897 /nfs/dbraw/zinc/83/38/97/345833897.db2.gz AVOIYVVFAUNYHF-ZETCQYMHSA-N 0 0 168.240 1.378 10 0 ADAERN NC(=O)N[C@@H]1CC12CCCCC2 307139973 345833930 /nfs/dbraw/zinc/83/39/30/345833930.db2.gz AVOIYVVFAUNYHF-SSDOTTSWSA-N 0 0 168.240 1.378 10 0 ADAERN CC(=O)[C@@H](C)n1ccsc1=N 307140093 345833943 /nfs/dbraw/zinc/83/39/43/345833943.db2.gz CLNUZSGWMJMANG-RXMQYKEDSA-N 0 0 170.237 1.179 10 0 ADAERN CC(=O)[C@H](C)n1ccsc1=N 307140096 345833960 /nfs/dbraw/zinc/83/39/60/345833960.db2.gz CLNUZSGWMJMANG-YFKPBYRVSA-N 0 0 170.237 1.179 10 0 ADAERN C[C@H]1CSC[C@@H]1Nc1cccnn1 307140343 345833969 /nfs/dbraw/zinc/83/39/69/345833969.db2.gz HZECYVFOPCEPIT-YUMQZZPRSA-N 0 0 195.291 1.640 10 0 ADAERN CC[C@@]1([C@H]2CC2(C)C)COC(N)=N1 307139582 345833974 /nfs/dbraw/zinc/83/39/74/345833974.db2.gz IMWPKJVGKVWVGD-XVKPBYJWSA-N 0 0 182.267 1.526 10 0 ADAERN C[C@@H]1CSC[C@@H]1Nc1cccnn1 307140342 345833976 /nfs/dbraw/zinc/83/39/76/345833976.db2.gz HZECYVFOPCEPIT-SFYZADRCSA-N 0 0 195.291 1.640 10 0 ADAERN CC(C)C1CC(O)(c2cn(C)cn2)C1 307139635 345833977 /nfs/dbraw/zinc/83/39/77/345833977.db2.gz ITAIOFARHVUNBG-UHFFFAOYSA-N 0 0 194.278 1.674 10 0 ADAERN O=c1ncc2c([nH]1)[C@@H]1C[C@@H]1CC2 307140370 345834189 /nfs/dbraw/zinc/83/41/89/345834189.db2.gz CPCNYAWWAQLWFH-CAHLUQPWSA-N 0 0 162.192 1.232 10 0 ADAERN C[C@@H](NN)c1ccsc1Cl 307140349 345834206 /nfs/dbraw/zinc/83/42/06/345834206.db2.gz HZSKKDSVGNEDAN-SCSAIBSYSA-N 0 0 176.672 1.926 10 0 ADAERN C[C@H](NN)c1ccsc1Cl 307140348 345834285 /nfs/dbraw/zinc/83/42/85/345834285.db2.gz HZSKKDSVGNEDAN-BYPYZUCNSA-N 0 0 176.672 1.926 10 0 ADAERN O=C(c1ccoc1)c1ccsn1 307140518 345834300 /nfs/dbraw/zinc/83/43/00/345834300.db2.gz IXPPMEUFDNGNGS-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN O=c1ncc2c([nH]1)[C@H]1C[C@H]1CC2 307140376 345834304 /nfs/dbraw/zinc/83/43/04/345834304.db2.gz CPCNYAWWAQLWFH-VDTYLAMSSA-N 0 0 162.192 1.232 10 0 ADAERN CSCn1c(C)c(C)[nH]c1=O 307141178 345834356 /nfs/dbraw/zinc/83/43/56/345834356.db2.gz CUSPEGHXJWWETH-UHFFFAOYSA-N 0 0 172.253 1.114 10 0 ADAERN CCC(C)(C)[C@H]1CC(=O)N[C@@H]1C 307141131 345834396 /nfs/dbraw/zinc/83/43/96/345834396.db2.gz CQRSDGKWVKMXQW-SFYZADRCSA-N 0 0 169.268 1.947 10 0 ADAERN CCCCC(=O)Nc1cnoc1 307141253 345834445 /nfs/dbraw/zinc/83/44/45/345834445.db2.gz DEHGJMBNQUBURS-UHFFFAOYSA-N 0 0 168.196 1.803 10 0 ADAERN CC1CN(C(=O)CC(C)(F)F)C1 307141142 345834453 /nfs/dbraw/zinc/83/44/53/345834453.db2.gz DCSAFALMCNFTIG-UHFFFAOYSA-N 0 0 177.194 1.510 10 0 ADAERN CCC(C)(C)[C@@H]1CC(=O)N[C@@H]1C 307141128 345834531 /nfs/dbraw/zinc/83/45/31/345834531.db2.gz CQRSDGKWVKMXQW-HTQZYQBOSA-N 0 0 169.268 1.947 10 0 ADAERN CCC(C)(C)[C@@H]1CC(=O)N[C@H]1C 307141130 345834599 /nfs/dbraw/zinc/83/45/99/345834599.db2.gz CQRSDGKWVKMXQW-JGVFFNPUSA-N 0 0 169.268 1.947 10 0 ADAERN Oc1cc(F)cc(-n2ccnc2)c1 307141042 345834622 /nfs/dbraw/zinc/83/46/22/345834622.db2.gz IOGLEKLZJUUFKW-UHFFFAOYSA-N 0 0 178.166 1.717 10 0 ADAERN CCC(C)(C)[C@H]1CC(=O)N[C@H]1C 307141132 345834639 /nfs/dbraw/zinc/83/46/39/345834639.db2.gz CQRSDGKWVKMXQW-YUMQZZPRSA-N 0 0 169.268 1.947 10 0 ADAERN Nc1ncn(CCC2=CCCCC2)n1 307141146 345834705 /nfs/dbraw/zinc/83/47/05/345834705.db2.gz DCUPGDVQMXGYIT-UHFFFAOYSA-N 0 0 192.266 1.751 10 0 ADAERN CCn1cc(-c2nc(C)no2)cn1 307141236 345834732 /nfs/dbraw/zinc/83/47/32/345834732.db2.gz BLPRGKHJOCAUOL-UHFFFAOYSA-N 0 0 178.195 1.261 10 0 ADAERN CC[C@H]1CCN1Cc1cc(C)on1 307141869 345834979 /nfs/dbraw/zinc/83/49/79/345834979.db2.gz JEWAORFSDRJRDU-JTQLQIEISA-N 0 0 180.251 1.967 10 0 ADAERN CC1(C)CC[C@@]1(O)C1=CCCO1 307141690 345835099 /nfs/dbraw/zinc/83/50/99/345835099.db2.gz DJSZIKXXNYMTPR-SNVBAGLBSA-N 0 0 168.236 1.842 10 0 ADAERN CC[C@@H]1CCN1Cc1cc(C)on1 307141870 345835156 /nfs/dbraw/zinc/83/51/56/345835156.db2.gz JEWAORFSDRJRDU-SNVBAGLBSA-N 0 0 180.251 1.967 10 0 ADAERN CNc1ncc(-c2ccns2)cn1 307141575 345835197 /nfs/dbraw/zinc/83/51/97/345835197.db2.gz JRSSDSBQFLFYGP-UHFFFAOYSA-N 0 0 192.247 1.642 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1.940 10 0 ADAERN CC(=O)N[C@@H](C)CC(F)F 307142112 345835851 /nfs/dbraw/zinc/83/58/51/345835851.db2.gz JZXHOZPFYGBMMI-BYPYZUCNSA-N 0 0 151.156 1.166 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1nccnc1N 307142519 345835920 /nfs/dbraw/zinc/83/59/20/345835920.db2.gz FGWMFCDSMSHZDV-RNFRBKRXSA-N 0 0 178.239 1.269 10 0 ADAERN CNc1ncc(C)c(NCCF)n1 307142316 345835930 /nfs/dbraw/zinc/83/59/30/345835930.db2.gz DYJOBSNAHRKCKH-UHFFFAOYSA-N 0 0 184.218 1.208 10 0 ADAERN Clc1ncc2c(n1)[C@H]1C[C@H]1C2 307142871 345836275 /nfs/dbraw/zinc/83/62/75/345836275.db2.gz FNXYKJCRKRXNNP-XINAWCOVSA-N 0 0 166.611 1.790 10 0 ADAERN Clc1ncc2c(n1)[C@@H]1C[C@@H]1C2 307142870 345836353 /nfs/dbraw/zinc/83/63/53/345836353.db2.gz FNXYKJCRKRXNNP-UJURSFKZSA-N 0 0 166.611 1.790 10 0 ADAERN CONC(C(C)C)C(C)C 307143169 345836434 /nfs/dbraw/zinc/83/64/34/345836434.db2.gz GEBXJXLUVKVHJY-UHFFFAOYSA-N 0 0 145.246 1.818 10 0 ADAERN CNC(=O)N1CC[C@@H](C(F)(F)F)C1 307142806 345836440 /nfs/dbraw/zinc/83/64/40/345836440.db2.gz KNYRWRGCHMYSQB-RXMQYKEDSA-N 0 0 196.172 1.210 10 0 ADAERN CNC(=O)N1CC[C@H](C(F)(F)F)C1 307142807 345836521 /nfs/dbraw/zinc/83/65/21/345836521.db2.gz KNYRWRGCHMYSQB-YFKPBYRVSA-N 0 0 196.172 1.210 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@H]1c1nccs1 307143742 345836870 /nfs/dbraw/zinc/83/68/70/345836870.db2.gz LDRDHFJKJJWSHU-ACZMJKKPSA-N 0 0 196.275 1.381 10 0 ADAERN O=c1[nH]c(NO)cc2ccccc12 307143854 345836886 /nfs/dbraw/zinc/83/68/86/345836886.db2.gz HFBDFKPJWZZQNF-UHFFFAOYSA-N 0 0 176.175 1.742 10 0 ADAERN CC[C@@]1(C2CC2)CC[C@H](CO)O1 307143860 345836897 /nfs/dbraw/zinc/83/68/97/345836897.db2.gz HFKCEHDDMZVVKV-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@]1(C2CC2)CC[C@H](CO)O1 307143856 345836955 /nfs/dbraw/zinc/83/69/55/345836955.db2.gz HFKCEHDDMZVVKV-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1c1nccs1 307143743 345836989 /nfs/dbraw/zinc/83/69/89/345836989.db2.gz LDRDHFJKJJWSHU-DSYKOEDSSA-N 0 0 196.275 1.381 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@H]1c1nccs1 307143744 345837006 /nfs/dbraw/zinc/83/70/06/345837006.db2.gz LDRDHFJKJJWSHU-LYFYHCNISA-N 0 0 196.275 1.381 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1c1nccs1 307143745 345837092 /nfs/dbraw/zinc/83/70/92/345837092.db2.gz LDRDHFJKJJWSHU-VQVTYTSYSA-N 0 0 196.275 1.381 10 0 ADAERN CC[C@@]1(C2CC2)CC[C@@H](CO)O1 307143857 345837213 /nfs/dbraw/zinc/83/72/13/345837213.db2.gz HFKCEHDDMZVVKV-UWVGGRQHSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@]1(C2CC2)CC[C@@H](CO)O1 307143859 345837309 /nfs/dbraw/zinc/83/73/09/345837309.db2.gz HFKCEHDDMZVVKV-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN CC(F)(F)[C@H](N)c1ccc[nH]1 307144044 345837603 /nfs/dbraw/zinc/83/76/03/345837603.db2.gz FSAHDKBWVOPCPF-ZCFIWIBFSA-N 0 0 160.167 1.670 10 0 ADAERN CCNc1nc(Cl)c(CO)s1 307144316 345837658 /nfs/dbraw/zinc/83/76/58/345837658.db2.gz LOTIBHZFJMTLTC-UHFFFAOYSA-N 0 0 192.671 1.721 10 0 ADAERN CC(F)(F)[C@@H](N)c1ccc[nH]1 307144042 345837717 /nfs/dbraw/zinc/83/77/17/345837717.db2.gz FSAHDKBWVOPCPF-LURJTMIESA-N 0 0 160.167 1.670 10 0 ADAERN Cc1cc(F)c(C(N)=O)c(Cl)c1 307147038 345840247 /nfs/dbraw/zinc/84/02/47/345840247.db2.gz HPDUIXKASYWJFI-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN C[S@@](=O)Nc1ccc(N)c(F)c1 307145023 345838100 /nfs/dbraw/zinc/83/81/00/345838100.db2.gz ANXJIMPAMHCCGC-GFCCVEGCSA-N 0 0 188.227 1.113 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 307144596 345838111 /nfs/dbraw/zinc/83/81/11/345838111.db2.gz FYTWITUBMAILJV-NORCUCSASA-N 0 0 179.263 1.557 10 0 ADAERN COc1cccc(NCCF)n1 307145007 345838214 /nfs/dbraw/zinc/83/82/14/345838214.db2.gz ANEFJPYXUOHMHK-UHFFFAOYSA-N 0 0 170.187 1.472 10 0 ADAERN C[S@](=O)Nc1ccc(N)c(F)c1 307145024 345838244 /nfs/dbraw/zinc/83/82/44/345838244.db2.gz ANXJIMPAMHCCGC-LBPRGKRZSA-N 0 0 188.227 1.113 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 307144607 345838253 /nfs/dbraw/zinc/83/82/53/345838253.db2.gz FYTWITUBMAILJV-QRYDPKPESA-N 0 0 179.263 1.557 10 0 ADAERN CCC(=O)N1CCCC12CCC2 307144731 345838316 /nfs/dbraw/zinc/83/83/16/345838316.db2.gz GDINVSALEAIYCQ-UHFFFAOYSA-N 0 0 167.252 1.942 10 0 ADAERN Cc1cnc([C@@H]2OC(=O)N=C2N)s1 307145588 345838851 /nfs/dbraw/zinc/83/88/51/345838851.db2.gz MTNIJKQHZNEAFU-SCSAIBSYSA-N 0 0 197.219 1.000 10 0 ADAERN Cc1cnc([C@H]2OC(=O)N=C2N)s1 307145587 345838994 /nfs/dbraw/zinc/83/89/94/345838994.db2.gz MTNIJKQHZNEAFU-BYPYZUCNSA-N 0 0 197.219 1.000 10 0 ADAERN CN(C)C(=O)NC1CCC(F)CC1 307146542 345839260 /nfs/dbraw/zinc/83/92/60/345839260.db2.gz NQIIRBKCHVYAFA-UHFFFAOYSA-N 0 0 188.246 1.538 10 0 ADAERN C[C@]1(C2CCC2)C[NH2+]C[C@H]1C(=O)[O-] 307146035 345839448 /nfs/dbraw/zinc/83/94/48/345839448.db2.gz NHCWOMQEOLAJTH-WCBMZHEXSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@]1(C2CCC2)C[NH2+]C[C@@H]1C(=O)[O-] 307146033 345839516 /nfs/dbraw/zinc/83/95/16/345839516.db2.gz NHCWOMQEOLAJTH-PSASIEDQSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@]1(C2CCC2)C[NH2+]C[C@@H]1C(=O)[O-] 307146034 345839587 /nfs/dbraw/zinc/83/95/87/345839587.db2.gz NHCWOMQEOLAJTH-SCZZXKLOSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@]1(C2CCC2)C[NH2+]C[C@H]1C(=O)[O-] 307146036 345839664 /nfs/dbraw/zinc/83/96/64/345839664.db2.gz NHCWOMQEOLAJTH-WPRPVWTQSA-N 0 0 183.251 1.097 10 0 ADAERN CC(=O)C(=O)N[C@H](C)c1ccco1 307147015 345839838 /nfs/dbraw/zinc/83/98/38/345839838.db2.gz HMYJNZMWCLTPKV-ZCFIWIBFSA-N 0 0 181.191 1.046 10 0 ADAERN C/C=C/CNOC(C)C 307147168 345839883 /nfs/dbraw/zinc/83/98/83/345839883.db2.gz OPNJNAIZLJQRNT-SNAWJCMRSA-N 0 0 129.203 1.492 10 0 ADAERN C[C@H](c1ccsc1)n1cnc(N)n1 307146593 345840118 /nfs/dbraw/zinc/84/01/18/345840118.db2.gz HFVXNTKXHIXQDA-ZCFIWIBFSA-N 0 0 194.263 1.531 10 0 ADAERN Nc1ncn([C@@H]2CC=CCC2)n1 307146942 345840143 /nfs/dbraw/zinc/84/01/43/345840143.db2.gz HJVFXQOWFMVBEX-SSDOTTSWSA-N 0 0 164.212 1.142 10 0 ADAERN Nc1ncn([C@H]2CC=CCC2)n1 307146951 345840212 /nfs/dbraw/zinc/84/02/12/345840212.db2.gz HJVFXQOWFMVBEX-ZETCQYMHSA-N 0 0 164.212 1.142 10 0 ADAERN CC(=O)C(=O)N[C@@H](C)c1ccco1 307147014 345840238 /nfs/dbraw/zinc/84/02/38/345840238.db2.gz HMYJNZMWCLTPKV-LURJTMIESA-N 0 0 181.191 1.046 10 0 ADAERN C[C@@H](c1ccsc1)n1cnc(N)n1 307146591 345840292 /nfs/dbraw/zinc/84/02/92/345840292.db2.gz HFVXNTKXHIXQDA-LURJTMIESA-N 0 0 194.263 1.531 10 0 ADAERN CCCc1cnc(NC)nc1C 307147442 345840516 /nfs/dbraw/zinc/84/05/16/345840516.db2.gz OVVCCIMAIWOVMA-UHFFFAOYSA-N 0 0 165.240 1.779 10 0 ADAERN CCNc1nccc(C(C)(C)OC)n1 307147494 345840547 /nfs/dbraw/zinc/84/05/47/345840547.db2.gz IAXSYNBSYGDMCK-UHFFFAOYSA-N 0 0 195.266 1.790 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1ccsn1 307147547 345840562 /nfs/dbraw/zinc/84/05/62/345840562.db2.gz OIUDWJRBLFBOIK-HZGVNTEJSA-N 0 0 197.259 1.751 10 0 ADAERN CNC(=O)Oc1c(C)cc(C)cc1N 307147338 345840634 /nfs/dbraw/zinc/84/06/34/345840634.db2.gz HUWQZLLDQPTUKQ-UHFFFAOYSA-N 0 0 194.234 1.604 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)c1ccsn1 307147549 345840664 /nfs/dbraw/zinc/84/06/64/345840664.db2.gz OIUDWJRBLFBOIK-MUWHJKNJSA-N 0 0 197.259 1.751 10 0 ADAERN CC(C)(O)C(C)(C)C[NH+]1CC2(CC2)C1 307147879 345840726 /nfs/dbraw/zinc/84/07/26/345840726.db2.gz IHVCNZWTLUFGJC-UHFFFAOYSA-N 0 0 197.322 1.879 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1ccsn1 307147548 345840748 /nfs/dbraw/zinc/84/07/48/345840748.db2.gz OIUDWJRBLFBOIK-IMTBSYHQSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@H]1CCO[C@@H]1C(=O)c1ccsn1 307147550 345840800 /nfs/dbraw/zinc/84/08/00/345840800.db2.gz OIUDWJRBLFBOIK-RCOVLWMOSA-N 0 0 197.259 1.751 10 0 ADAERN CC1(C)CC[C@]12CNC(=O)O2 307148399 345841238 /nfs/dbraw/zinc/84/12/38/345841238.db2.gz ITCKGBKHBAFFJQ-QMMMGPOBSA-N 0 0 155.197 1.285 10 0 ADAERN CC1(C)CC[C@@]12CNC(=O)O2 307148396 345841258 /nfs/dbraw/zinc/84/12/58/345841258.db2.gz ITCKGBKHBAFFJQ-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN NNCCc1csc(Cl)c1 307148015 345841400 /nfs/dbraw/zinc/84/14/00/345841400.db2.gz PPJLQPWEQDICTK-UHFFFAOYSA-N 0 0 176.672 1.407 10 0 ADAERN CCN(OC)c1cc(C)cc(N)c1 307148721 345841559 /nfs/dbraw/zinc/84/15/59/345841559.db2.gz QOJIIPSOHAPVKE-UHFFFAOYSA-N 0 0 180.251 1.965 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@]12CNC(=O)CO2 307148894 345841877 /nfs/dbraw/zinc/84/18/77/345841877.db2.gz QRFVAJWHMNCDPB-WCABBAIRSA-N 0 0 197.278 1.328 10 0 ADAERN CC1(C)CC(N2CCC(=O)C2)C1 307148938 345841904 /nfs/dbraw/zinc/84/19/04/345841904.db2.gz QVNZYDOMCDOWOO-UHFFFAOYSA-N 0 0 167.252 1.450 10 0 ADAERN NC1=N[C@]2(CO1)CC1CCC2CC1 307149584 345842002 /nfs/dbraw/zinc/84/20/02/345842002.db2.gz RXSAGQJACHNQEW-KTOWXAHTSA-N 0 0 180.251 1.280 10 0 ADAERN CCc1cc(=O)[nH]c(-c2cn[nH]c2)n1 307148965 345842260 /nfs/dbraw/zinc/84/22/60/345842260.db2.gz QYCIKAIBJYCKQI-UHFFFAOYSA-N 0 0 190.206 1.135 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@]12CNC(=O)CO2 307148895 345842327 /nfs/dbraw/zinc/84/23/27/345842327.db2.gz QRFVAJWHMNCDPB-YWVKMMECSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]2(CNC(=O)CO2)C1 307148892 345842446 /nfs/dbraw/zinc/84/24/46/345842446.db2.gz QRFVAJWHMNCDPB-FXPVBKGRSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@@]2(CNC(=O)CO2)C1 307148893 345842467 /nfs/dbraw/zinc/84/24/67/345842467.db2.gz QRFVAJWHMNCDPB-KKZNHRDASA-N 0 0 197.278 1.328 10 0 ADAERN NC1=N[C@@]2(CO1)CC1CCC2CC1 307149585 345842473 /nfs/dbraw/zinc/84/24/73/345842473.db2.gz RXSAGQJACHNQEW-SFVIPPHHSA-N 0 0 180.251 1.280 10 0 ADAERN Nc1cc(Cl)ccc1N1CC(O)C1 307150604 345842834 /nfs/dbraw/zinc/84/28/34/345842834.db2.gz UJKPCXVBEGRWEA-UHFFFAOYSA-N 0 0 198.653 1.103 10 0 ADAERN CC(C)(CO)S[C@H]1CCC[C@@H]1O 307149842 345842874 /nfs/dbraw/zinc/84/28/74/345842874.db2.gz RZPUTMKYDGWTEW-YUMQZZPRSA-N 0 0 190.308 1.404 10 0 ADAERN CSCC1=NC(=O)CS1 307150409 345842888 /nfs/dbraw/zinc/84/28/88/345842888.db2.gz TXGMSIZTXUKCPT-UHFFFAOYSA-N 0 0 161.251 1.712 10 0 ADAERN Cc1ccc(N)cc1OC(=O)N(C)C 307151129 345843330 /nfs/dbraw/zinc/84/33/30/345843330.db2.gz CEJZJIKMZACLGZ-UHFFFAOYSA-N 0 0 194.234 1.638 10 0 ADAERN COC(C)(C)[C@@H]1[NH2+]CC[C@@H](C)S1 307151322 345843340 /nfs/dbraw/zinc/84/33/40/345843340.db2.gz CWPBLOGETHAEHA-HTQZYQBOSA-N 0 0 189.324 1.853 10 0 ADAERN COC1([C@@H]2[NH2+]CCS2)CCCC1 307151115 345843361 /nfs/dbraw/zinc/84/33/61/345843361.db2.gz CBPHBMMIPPKUMM-MRVPVSSYSA-N 0 0 187.308 1.608 10 0 ADAERN COC(C)(C)[C@H]1[NH2+]CC[C@H](C)S1 307151325 345843374 /nfs/dbraw/zinc/84/33/74/345843374.db2.gz CWPBLOGETHAEHA-YUMQZZPRSA-N 0 0 189.324 1.853 10 0 ADAERN [NH3+][C@@]1(c2cscn2)CCCOCC1 307151044 345843397 /nfs/dbraw/zinc/84/33/97/345843397.db2.gz VGAZIUITXIMZQC-VIFPVBQESA-N 0 0 198.291 1.498 10 0 ADAERN Cc1cc([C@@H]2COC(=[NH2+])N2)cs1 307151205 345843428 /nfs/dbraw/zinc/84/34/28/345843428.db2.gz VLTNHHFYDWSNLJ-ZETCQYMHSA-N 0 0 182.248 1.443 10 0 ADAERN CC(C)NC(=O)N1CCC[C@@H]2C[C@@H]21 307150681 345843456 /nfs/dbraw/zinc/84/34/56/345843456.db2.gz AHLKKNOSEQKJIU-BDAKNGLRSA-N 0 0 182.267 1.589 10 0 ADAERN Cc1cc([C@H]2COC(=[NH2+])N2)cs1 307151204 345843459 /nfs/dbraw/zinc/84/34/59/345843459.db2.gz VLTNHHFYDWSNLJ-SSDOTTSWSA-N 0 0 182.248 1.443 10 0 ADAERN COC(C)(C)[C@@H]1[NH2+]CC[C@H](C)S1 307151323 345843464 /nfs/dbraw/zinc/84/34/64/345843464.db2.gz CWPBLOGETHAEHA-JGVFFNPUSA-N 0 0 189.324 1.853 10 0 ADAERN [NH3+][C@]1(c2cscn2)CCCOCC1 307151043 345843493 /nfs/dbraw/zinc/84/34/93/345843493.db2.gz VGAZIUITXIMZQC-SECBINFHSA-N 0 0 198.291 1.498 10 0 ADAERN COC1([C@H]2[NH2+]CCS2)CCCC1 307151116 345843568 /nfs/dbraw/zinc/84/35/68/345843568.db2.gz CBPHBMMIPPKUMM-QMMMGPOBSA-N 0 0 187.308 1.608 10 0 ADAERN COC(C)(C)[C@H]1[NH2+]CC[C@@H](C)S1 307151324 345843649 /nfs/dbraw/zinc/84/36/49/345843649.db2.gz CWPBLOGETHAEHA-SFYZADRCSA-N 0 0 189.324 1.853 10 0 ADAERN Nc1[nH]c(=O)ccc1C(F)(F)F 307151141 345843655 /nfs/dbraw/zinc/84/36/55/345843655.db2.gz CHHZEDGNWLVMBV-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN NC(=S)N[C@@H]1CC12CCCC2 307151811 345844187 /nfs/dbraw/zinc/84/41/87/345844187.db2.gz WLOPCIBZAWLLTC-ZCFIWIBFSA-N 0 0 170.281 1.152 10 0 ADAERN CC(=O)c1ccnc(N2CC=CC2)c1 307151580 345844216 /nfs/dbraw/zinc/84/42/16/345844216.db2.gz DRSSHZGZTUWMJR-UHFFFAOYSA-N 0 0 188.230 1.660 10 0 ADAERN NC(=S)N[C@H]1CC12CCCC2 307151809 345844223 /nfs/dbraw/zinc/84/42/23/345844223.db2.gz WLOPCIBZAWLLTC-LURJTMIESA-N 0 0 170.281 1.152 10 0 ADAERN CNC(=O)Oc1ccc(N)cc1C 307151562 345844461 /nfs/dbraw/zinc/84/44/61/345844461.db2.gz VZFJGALGECVKPZ-UHFFFAOYSA-N 0 0 180.207 1.295 10 0 ADAERN Cn1cc(N[C@@H]2CC[C@H]3C[C@H]32)cn1 307152070 345844913 /nfs/dbraw/zinc/84/49/13/345844913.db2.gz XCMVHBANSWXXKC-FXBDTBDDSA-N 0 0 177.251 1.631 10 0 ADAERN Cn1cc(N[C@@H]2CC[C@@H]3C[C@@H]32)cn1 307152069 345845104 /nfs/dbraw/zinc/84/51/04/345845104.db2.gz XCMVHBANSWXXKC-FKTZTGRPSA-N 0 0 177.251 1.631 10 0 ADAERN CC(C)N1C(=S)N=NC1N1CCC1 307152706 345845733 /nfs/dbraw/zinc/84/57/33/345845733.db2.gz AHZWIIPFQDTEGW-UHFFFAOYSA-N 0 0 198.295 1.358 10 0 ADAERN CCOC(=O)c1ncsc1F 307152890 345845774 /nfs/dbraw/zinc/84/57/74/345845774.db2.gz AYOJZRZXCGTOSI-UHFFFAOYSA-N 0 0 175.184 1.459 10 0 ADAERN CS[C@H](C)C(=O)N[C@H]1[C@H]2CCC[C@H]21 307153824 345846203 /nfs/dbraw/zinc/84/62/03/345846203.db2.gz BCLGGWPSPXNDKS-LURQLKTLSA-N 0 0 199.319 1.653 10 0 ADAERN COC[C@H](O)[C@@H]1CCCSC1 307154192 345846217 /nfs/dbraw/zinc/84/62/17/345846217.db2.gz KLAVNXZNKZUSLK-SFYZADRCSA-N 0 0 176.281 1.137 10 0 ADAERN C/C=C/CNc1cc(=O)[nH]cn1 307153510 345846241 /nfs/dbraw/zinc/84/62/41/345846241.db2.gz JZGNYNBGKFTKJM-NSCUHMNNSA-N 0 0 165.196 1.170 10 0 ADAERN COC[C@@H](O)[C@@H]1CCCSC1 307154190 345846278 /nfs/dbraw/zinc/84/62/78/345846278.db2.gz KLAVNXZNKZUSLK-HTQZYQBOSA-N 0 0 176.281 1.137 10 0 ADAERN COc1cnc(F)c(F)c1F 307153689 345846385 /nfs/dbraw/zinc/84/63/85/345846385.db2.gz CUIARMSUCYSHIT-UHFFFAOYSA-N 0 0 163.098 1.508 10 0 ADAERN COC[C@H](O)[C@H]1CCCSC1 307154194 345846430 /nfs/dbraw/zinc/84/64/30/345846430.db2.gz KLAVNXZNKZUSLK-YUMQZZPRSA-N 0 0 176.281 1.137 10 0 ADAERN COC[C@@H](O)[C@H]1CCCSC1 307154191 345846528 /nfs/dbraw/zinc/84/65/28/345846528.db2.gz KLAVNXZNKZUSLK-JGVFFNPUSA-N 0 0 176.281 1.137 10 0 ADAERN CS[C@@H](C)C(=O)N[C@H]1[C@H]2CCC[C@H]21 307153825 345846543 /nfs/dbraw/zinc/84/65/43/345846543.db2.gz BCLGGWPSPXNDKS-MAUMQABQSA-N 0 0 199.319 1.653 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1CCCOC1 307154115 345846593 /nfs/dbraw/zinc/84/65/93/345846593.db2.gz CPFJTLUWSLOIAD-CHDHTGKKSA-N 0 0 183.251 1.248 10 0 ADAERN CNC(=O)c1ccoc1C(C)C 307154049 345846614 /nfs/dbraw/zinc/84/66/14/345846614.db2.gz CFVJTDGADWAIGO-UHFFFAOYSA-N 0 0 167.208 1.763 10 0 ADAERN Clc1ccn(C[C@@H]2CCOC2)n1 307155236 345846957 /nfs/dbraw/zinc/84/69/57/345846957.db2.gz DSBDLRRIHAFCAC-ZETCQYMHSA-N 0 0 186.642 1.573 10 0 ADAERN Cc1c[nH]c(N(C)[C@@H]2CCSC2)n1 307155143 345847004 /nfs/dbraw/zinc/84/70/04/345847004.db2.gz LYVHTXFITPTTHB-MRVPVSSYSA-N 0 0 197.307 1.660 10 0 ADAERN c1nnsc1NC1CSC1 307155000 345847008 /nfs/dbraw/zinc/84/70/08/345847008.db2.gz VFGHTCQXBYSPBF-UHFFFAOYSA-N 0 0 173.266 1.065 10 0 ADAERN CCc1c[nH]c(=S)n1C1CN(C)C1 307154577 345847023 /nfs/dbraw/zinc/84/70/23/345847023.db2.gz LFLARBPVFNWBTB-UHFFFAOYSA-N 0 0 197.307 1.221 10 0 ADAERN CCOC(=O)N1CCCOC[C@@H]1C 307155031 345847034 /nfs/dbraw/zinc/84/70/34/345847034.db2.gz VHSFXGVEHGTEKX-QMMMGPOBSA-N 0 0 187.239 1.254 10 0 ADAERN Cc1nc(C(=O)c2ncc[nH]2)cs1 307155093 345847049 /nfs/dbraw/zinc/84/70/49/345847049.db2.gz LTBONOKFCQWTNA-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN Clc1ccn(C[C@H]2CCOC2)n1 307155235 345847051 /nfs/dbraw/zinc/84/70/51/345847051.db2.gz DSBDLRRIHAFCAC-SSDOTTSWSA-N 0 0 186.642 1.573 10 0 ADAERN CCOC(=O)N1CCCOC[C@H]1C 307155030 345847054 /nfs/dbraw/zinc/84/70/54/345847054.db2.gz VHSFXGVEHGTEKX-MRVPVSSYSA-N 0 0 187.239 1.254 10 0 ADAERN Cc1c[nH]c(N(C)[C@H]2CCSC2)n1 307155144 345847074 /nfs/dbraw/zinc/84/70/74/345847074.db2.gz LYVHTXFITPTTHB-QMMMGPOBSA-N 0 0 197.307 1.660 10 0 ADAERN CCc1nnc(N)nc1C(C)(C)C 307154836 345847143 /nfs/dbraw/zinc/84/71/43/345847143.db2.gz LMVQRWZDZPVFRV-UHFFFAOYSA-N 0 0 180.255 1.314 10 0 ADAERN Cc1nnc(NCCF)s1 307154837 345847253 /nfs/dbraw/zinc/84/72/53/345847253.db2.gz LNDMNFBDSCGQGZ-UHFFFAOYSA-N 0 0 161.205 1.228 10 0 ADAERN CNc1nnc(-c2cccn2C)s1 307155726 345847688 /nfs/dbraw/zinc/84/76/88/345847688.db2.gz VTZBJJDQIGOPOZ-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN CC(C)(Nc1cccnn1)C(F)F 307155644 345847705 /nfs/dbraw/zinc/84/77/05/345847705.db2.gz FCPFCVCQXIIHMB-UHFFFAOYSA-N 0 0 187.193 1.932 10 0 ADAERN C[C@]1(CO)CCC2(CCCC2)O1 307155922 345847737 /nfs/dbraw/zinc/84/77/37/345847737.db2.gz NAGVIRVRRJSTCC-SECBINFHSA-N 0 0 170.252 1.861 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)C1=CCCO1 307155380 345847811 /nfs/dbraw/zinc/84/78/11/345847811.db2.gz VMBSYLDOGVLTQQ-QMMMGPOBSA-N 0 0 181.235 1.205 10 0 ADAERN NNc1c(Cl)ccc(F)c1F 307155347 345847886 /nfs/dbraw/zinc/84/78/86/345847886.db2.gz DYVFKQSPOXXQAT-UHFFFAOYSA-N 0 0 178.569 1.904 10 0 ADAERN C=C(Cl)C(=O)NCC=C(C)C 307155429 345847897 /nfs/dbraw/zinc/84/78/97/345847897.db2.gz VNWSPCXSRKGXOY-UHFFFAOYSA-N 0 0 173.643 1.821 10 0 ADAERN CC1(C)C[C@H]1NC(=O)C1=CCCO1 307155377 345847948 /nfs/dbraw/zinc/84/79/48/345847948.db2.gz VMBSYLDOGVLTQQ-MRVPVSSYSA-N 0 0 181.235 1.205 10 0 ADAERN C[C@@]1(CO)CCC2(CCCC2)O1 307155923 345847975 /nfs/dbraw/zinc/84/79/75/345847975.db2.gz NAGVIRVRRJSTCC-VIFPVBQESA-N 0 0 170.252 1.861 10 0 ADAERN C[C@]1(C2CC2)CC[C@H](CO)O1 307156130 345848197 /nfs/dbraw/zinc/84/81/97/345848197.db2.gz WKBMOIBVRCYONN-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN Cc1nnc(N[C@@H]2CCC[C@@H]2O)s1 307156184 345848218 /nfs/dbraw/zinc/84/82/18/345848218.db2.gz FQQXVQIHTPXKMX-RQJHMYQMSA-N 0 0 199.279 1.172 10 0 ADAERN C[C@@H](CO)Nc1ccnc(C2CC2)n1 307156437 345848229 /nfs/dbraw/zinc/84/82/29/345848229.db2.gz FZOJKMKZKJSNAB-ZETCQYMHSA-N 0 0 193.250 1.147 10 0 ADAERN C[C@H](O)C(=O)CCCCF 307156517 345848237 /nfs/dbraw/zinc/84/82/37/345848237.db2.gz GEFKLVDXAOJGGB-LURJTMIESA-N 0 0 148.177 1.076 10 0 ADAERN Cc1nnc(N[C@H]2CCC[C@@H]2O)s1 307156176 345848349 /nfs/dbraw/zinc/84/83/49/345848349.db2.gz FQQXVQIHTPXKMX-BQBZGAKWSA-N 0 0 199.279 1.172 10 0 ADAERN CCC(=O)N[C@@H]1CSC1(C)C 307156501 345848353 /nfs/dbraw/zinc/84/83/53/345848353.db2.gz XBUMBHBYBJPDSE-ZCFIWIBFSA-N 0 0 173.281 1.407 10 0 ADAERN CCC(=O)N[C@H]1CSC1(C)C 307156500 345848355 /nfs/dbraw/zinc/84/83/55/345848355.db2.gz XBUMBHBYBJPDSE-LURJTMIESA-N 0 0 173.281 1.407 10 0 ADAERN Cc1nnc(N[C@H]2CCC[C@H]2O)s1 307156179 345848360 /nfs/dbraw/zinc/84/83/60/345848360.db2.gz FQQXVQIHTPXKMX-NKWVEPMBSA-N 0 0 199.279 1.172 10 0 ADAERN C[C@H](CO)Nc1ccnc(C2CC2)n1 307156435 345848399 /nfs/dbraw/zinc/84/83/99/345848399.db2.gz FZOJKMKZKJSNAB-SSDOTTSWSA-N 0 0 193.250 1.147 10 0 ADAERN C[C@@H](O)C(=O)CCCCF 307156519 345848416 /nfs/dbraw/zinc/84/84/16/345848416.db2.gz GEFKLVDXAOJGGB-ZCFIWIBFSA-N 0 0 148.177 1.076 10 0 ADAERN FCCNc1ncnc2scnc12 307156224 345848434 /nfs/dbraw/zinc/84/84/34/345848434.db2.gz NGAUKAOKKUUAEO-UHFFFAOYSA-N 0 0 198.226 1.468 10 0 ADAERN CCNC(=O)c1nc(C)ncc1Cl 307156481 345848489 /nfs/dbraw/zinc/84/84/89/345848489.db2.gz GDBZXWIKFAIAQF-UHFFFAOYSA-N 0 0 199.641 1.188 10 0 ADAERN C[C@@]1(C2CC2)CC[C@H](CO)O1 307156126 345848505 /nfs/dbraw/zinc/84/85/05/345848505.db2.gz WKBMOIBVRCYONN-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@]1(C2CC2)CC[C@@H](CO)O1 307156129 345848530 /nfs/dbraw/zinc/84/85/30/345848530.db2.gz WKBMOIBVRCYONN-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@]1(C2CC2)CC[C@@H](CO)O1 307156127 345848541 /nfs/dbraw/zinc/84/85/41/345848541.db2.gz WKBMOIBVRCYONN-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN c1ccc(CNc2nnco2)nc1 307157468 345849124 /nfs/dbraw/zinc/84/91/24/345849124.db2.gz YEPVYRQDFSHHNC-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN CN(C)c1nc2cc(F)ccc2[nH]1 307157538 345849132 /nfs/dbraw/zinc/84/91/32/345849132.db2.gz QMZPDIUQRRIDIN-UHFFFAOYSA-N 0 0 179.198 1.768 10 0 ADAERN O=C1CCN(c2ccncc2Cl)C1 307158036 345849486 /nfs/dbraw/zinc/84/94/86/345849486.db2.gz AFGPAWGMLHDQGU-UHFFFAOYSA-N 0 0 196.637 1.514 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)N1CCCCN1 307158184 345849566 /nfs/dbraw/zinc/84/95/66/345849566.db2.gz ZGZCXCVCQTZWMJ-NXEZZACHSA-N 0 0 196.294 1.550 10 0 ADAERN CC1(CNc2ccc(F)cn2)COC1 307157725 345849742 /nfs/dbraw/zinc/84/97/42/345849742.db2.gz YMSPQYDSWJKKJQ-UHFFFAOYSA-N 0 0 196.225 1.669 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N1CCCCN1 307158186 345849888 /nfs/dbraw/zinc/84/98/88/345849888.db2.gz ZGZCXCVCQTZWMJ-VHSXEESVSA-N 0 0 196.294 1.550 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N1CCCCN1 307158185 345849911 /nfs/dbraw/zinc/84/99/11/345849911.db2.gz ZGZCXCVCQTZWMJ-UWVGGRQHSA-N 0 0 196.294 1.550 10 0 ADAERN O=C(C1CCC1)N1C[C@@H]2CCC[C@H]21 307158445 345850170 /nfs/dbraw/zinc/85/01/70/345850170.db2.gz ZLQDGKIMTASYBY-VHSXEESVSA-N 0 0 179.263 1.797 10 0 ADAERN Nc1nc(-c2ccc[nH]2)ncc1F 307158302 345850202 /nfs/dbraw/zinc/85/02/02/345850202.db2.gz ANYZTXZDZUUDLX-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN O=C(C1CCC1)N1C[C@H]2CCC[C@H]21 307158443 345850215 /nfs/dbraw/zinc/85/02/15/345850215.db2.gz ZLQDGKIMTASYBY-NXEZZACHSA-N 0 0 179.263 1.797 10 0 ADAERN CC1(C)C[C@@H]1[C@]1(C)CC(=O)NC1=O 307158407 345850245 /nfs/dbraw/zinc/85/02/45/345850245.db2.gz ZIKNANVCNPFHLX-WKEGUHRASA-N 0 0 181.235 1.085 10 0 ADAERN O=C(C1CCC1)N1C[C@@H]2CCC[C@@H]21 307158444 345850270 /nfs/dbraw/zinc/85/02/70/345850270.db2.gz ZLQDGKIMTASYBY-UWVGGRQHSA-N 0 0 179.263 1.797 10 0 ADAERN CC1(C)C[C@@H]1[C@@]1(C)CC(=O)NC1=O 307158406 345850484 /nfs/dbraw/zinc/85/04/84/345850484.db2.gz ZIKNANVCNPFHLX-QUBYGPBYSA-N 0 0 181.235 1.085 10 0 ADAERN CC1(C)C[C@H]1[C@@]1(C)CC(=O)NC1=O 307158405 345850504 /nfs/dbraw/zinc/85/05/04/345850504.db2.gz ZIKNANVCNPFHLX-LHLIQPBNSA-N 0 0 181.235 1.085 10 0 ADAERN Cc1cccc(N)c1NCCF 307158543 345850531 /nfs/dbraw/zinc/85/05/31/345850531.db2.gz SMKSNNXMWINXPW-UHFFFAOYSA-N 0 0 168.215 1.959 10 0 ADAERN CC1(C)C[C@H]1[C@]1(C)CC(=O)NC1=O 307158404 345850538 /nfs/dbraw/zinc/85/05/38/345850538.db2.gz ZIKNANVCNPFHLX-LDWIPMOCSA-N 0 0 181.235 1.085 10 0 ADAERN O=C(C1CCC1)N1C[C@H]2CCC[C@@H]21 307158446 345850543 /nfs/dbraw/zinc/85/05/43/345850543.db2.gz ZLQDGKIMTASYBY-ZJUUUORDSA-N 0 0 179.263 1.797 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCCCN1 307158187 345850608 /nfs/dbraw/zinc/85/06/08/345850608.db2.gz ZGZCXCVCQTZWMJ-ZJUUUORDSA-N 0 0 196.294 1.550 10 0 ADAERN C[C@H](NC1=NCCS1)C(C)(F)F 307159247 345850967 /nfs/dbraw/zinc/85/09/67/345850967.db2.gz UHVCBWLZTMFAPD-YFKPBYRVSA-N 0 0 194.250 1.723 10 0 ADAERN C[C@@H](CO)Nc1nc(C2CC2)cs1 307159108 345850978 /nfs/dbraw/zinc/85/09/78/345850978.db2.gz IWHAMNYFXRDQPO-LURJTMIESA-N 0 0 198.291 1.813 10 0 ADAERN CC(C)C(=O)N[C@H](C)C(F)F 307159295 345850985 /nfs/dbraw/zinc/85/09/85/345850985.db2.gz UPNAFGRFTNDNKK-RXMQYKEDSA-N 0 0 165.183 1.412 10 0 ADAERN CC(C)(C1CCC1)n1cnc(N)n1 307159006 345851002 /nfs/dbraw/zinc/85/10/02/345851002.db2.gz BSQKBNAJIKRUBJ-UHFFFAOYSA-N 0 0 180.255 1.396 10 0 ADAERN c1cnnc(N[C@H]2C[C@@H]3C[C@@H]3C2)c1 307158963 345851005 /nfs/dbraw/zinc/85/10/05/345851005.db2.gz BXTXQQAWTJUHSS-AYMMMOKOSA-N 0 0 175.235 1.687 10 0 ADAERN C[C@H](CO)Nc1nc(C2CC2)cs1 307159109 345851012 /nfs/dbraw/zinc/85/10/12/345851012.db2.gz IWHAMNYFXRDQPO-ZCFIWIBFSA-N 0 0 198.291 1.813 10 0 ADAERN CN(C)c1noc(C2CC=CC2)n1 307158823 345851030 /nfs/dbraw/zinc/85/10/30/345851030.db2.gz BLKOANLXPMMVFV-UHFFFAOYSA-N 0 0 179.223 1.569 10 0 ADAERN S=c1cnc(-c2cncnc2)c[nH]1 307159289 345851032 /nfs/dbraw/zinc/85/10/32/345851032.db2.gz UOTIJPZFRSYLQE-UHFFFAOYSA-N 0 0 190.231 1.596 10 0 ADAERN CC1(C)CC(n2nccc2N)C1 307159294 345851078 /nfs/dbraw/zinc/85/10/78/345851078.db2.gz UPFGDVWRUDWYQQ-UHFFFAOYSA-N 0 0 165.240 1.826 10 0 ADAERN C[C@@H](NC1=NCCS1)C(C)(F)F 307159246 345851100 /nfs/dbraw/zinc/85/11/00/345851100.db2.gz UHVCBWLZTMFAPD-RXMQYKEDSA-N 0 0 194.250 1.723 10 0 ADAERN C[C@]1(c2csc(N)n2)C[C@@H]1F 307159037 345851108 /nfs/dbraw/zinc/85/11/08/345851108.db2.gz BVZSBACUDDVDGC-FFWSUHOLSA-N 0 0 172.228 1.725 10 0 ADAERN C[C@@]1(c2csc(N)n2)C[C@H]1F 307159035 345851172 /nfs/dbraw/zinc/85/11/72/345851172.db2.gz BVZSBACUDDVDGC-CLZZGJSISA-N 0 0 172.228 1.725 10 0 ADAERN Clc1n[nH]c(CN2CCCC2)n1 307159172 345851239 /nfs/dbraw/zinc/85/12/39/345851239.db2.gz JBOXVLUTKGMCLO-UHFFFAOYSA-N 0 0 186.646 1.054 10 0 ADAERN C[C@@]1(c2csc(N)n2)C[C@@H]1F 307159038 345851282 /nfs/dbraw/zinc/85/12/82/345851282.db2.gz BVZSBACUDDVDGC-MHTLYPKNSA-N 0 0 172.228 1.725 10 0 ADAERN C[C@]1(c2csc(N)n2)C[C@H]1F 307159036 345851293 /nfs/dbraw/zinc/85/12/93/345851293.db2.gz BVZSBACUDDVDGC-FBCQKBJTSA-N 0 0 172.228 1.725 10 0 ADAERN C[C@H]([C@@H]1CC1(C)C)n1cnc(N)n1 307159331 345851604 /nfs/dbraw/zinc/85/16/04/345851604.db2.gz CDUMMXADCCQKMF-RQJHMYQMSA-N 0 0 180.255 1.467 10 0 ADAERN Clc1ccc(CN2CCCN2)cn1 307159424 345851620 /nfs/dbraw/zinc/85/16/20/345851620.db2.gz CGCRJLJGKRHMRM-UHFFFAOYSA-N 0 0 197.669 1.445 10 0 ADAERN FC(F)(F)SC1=NCCN1 307159336 345851676 /nfs/dbraw/zinc/85/16/76/345851676.db2.gz CFBWHHHWZOIEEF-UHFFFAOYSA-N 0 0 170.159 1.199 10 0 ADAERN CC[C@]1(C2CCCC2)CNC(=O)CO1 307159677 345851742 /nfs/dbraw/zinc/85/17/42/345851742.db2.gz JMLXFCGPBAPQBD-LLVKDONJSA-N 0 0 197.278 1.472 10 0 ADAERN Nc1nc(-c2ccsn2)ncc1F 307159606 345851746 /nfs/dbraw/zinc/85/17/46/345851746.db2.gz UTXPCCADEHUFFR-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN CC[C@@]1(C2CCCC2)CNC(=O)CO1 307159678 345851750 /nfs/dbraw/zinc/85/17/50/345851750.db2.gz JMLXFCGPBAPQBD-NSHDSACASA-N 0 0 197.278 1.472 10 0 ADAERN CC(C)C(=O)N[C@@H](C)C(F)F 307159550 345851790 /nfs/dbraw/zinc/85/17/90/345851790.db2.gz UPNAFGRFTNDNKK-YFKPBYRVSA-N 0 0 165.183 1.412 10 0 ADAERN C[C@H]([C@H]1CC1(C)C)n1cnc(N)n1 307159330 345851818 /nfs/dbraw/zinc/85/18/18/345851818.db2.gz CDUMMXADCCQKMF-RNFRBKRXSA-N 0 0 180.255 1.467 10 0 ADAERN C[C@@H]([C@H]1CC1(C)C)n1cnc(N)n1 307159329 345851839 /nfs/dbraw/zinc/85/18/39/345851839.db2.gz CDUMMXADCCQKMF-NKWVEPMBSA-N 0 0 180.255 1.467 10 0 ADAERN C[C@@H]([C@@H]1CC1(C)C)n1cnc(N)n1 307159328 345851907 /nfs/dbraw/zinc/85/19/07/345851907.db2.gz CDUMMXADCCQKMF-BQBZGAKWSA-N 0 0 180.255 1.467 10 0 ADAERN CC(C)(C1CC1)n1cnc(N)n1 307159537 345851927 /nfs/dbraw/zinc/85/19/27/345851927.db2.gz JJBYCBMIHXXAJO-UHFFFAOYSA-N 0 0 166.228 1.005 10 0 ADAERN CN(c1cccnc1N)C(C)(C)C 307160553 345852479 /nfs/dbraw/zinc/85/24/79/345852479.db2.gz WLIVLKOQIXJHBH-UHFFFAOYSA-N 0 0 179.267 1.899 10 0 ADAERN Cc1ccc(-n2cnc(N)n2)c(C)c1 307161511 345853069 /nfs/dbraw/zinc/85/30/69/345853069.db2.gz KSKSWNZUSSHATE-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN O=C1CCN([C@@H]2CCCC2(F)F)C1 307161405 345853123 /nfs/dbraw/zinc/85/31/23/345853123.db2.gz GGVQIFCWWRKBQY-MRVPVSSYSA-N 0 0 189.205 1.449 10 0 ADAERN COc1cc(N(C)C)c(C)cc1N 307161222 345853227 /nfs/dbraw/zinc/85/32/27/345853227.db2.gz FTVMRRXRPQPXED-UHFFFAOYSA-N 0 0 180.251 1.652 10 0 ADAERN O=C1CCN([C@H]2CCCC2(F)F)C1 307161406 345853403 /nfs/dbraw/zinc/85/34/03/345853403.db2.gz GGVQIFCWWRKBQY-QMMMGPOBSA-N 0 0 189.205 1.449 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cc(N)ns1 307161924 345853831 /nfs/dbraw/zinc/85/38/31/345853831.db2.gz XSWHJLAUZJGPGQ-RITPCOANSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cc(N)ns1 307161922 345853836 /nfs/dbraw/zinc/85/38/36/345853836.db2.gz XSWHJLAUZJGPGQ-NTSWFWBYSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cc(N)ns1 307161925 345853927 /nfs/dbraw/zinc/85/39/27/345853927.db2.gz XSWHJLAUZJGPGQ-WDSKDSINSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cc(N)ns1 307161923 345854064 /nfs/dbraw/zinc/85/40/64/345854064.db2.gz XSWHJLAUZJGPGQ-PHDIDXHHSA-N 0 0 183.280 1.936 10 0 ADAERN Cc1ncncc1C1=NC(=O)CS1 307161683 345854053 /nfs/dbraw/zinc/85/40/53/345854053.db2.gz GPNFHGRQWCTOHP-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN O=C1CSC(N2CCC2)=N1 307162261 345854138 /nfs/dbraw/zinc/85/41/38/345854138.db2.gz YCVVGSCYTNHWFW-UHFFFAOYSA-N 0 0 156.210 1.059 10 0 ADAERN O=c1ccn(CCF)c(=S)[nH]1 307161910 345854154 /nfs/dbraw/zinc/85/41/54/345854154.db2.gz XQZVJAOXZCHWRG-UHFFFAOYSA-N 0 0 174.200 1.288 10 0 ADAERN CC[S@](=O)Cc1nccc(N)c1C 307163243 345854695 /nfs/dbraw/zinc/85/46/95/345854695.db2.gz ZDZXSRHPVWZOQO-ZDUSSCGKSA-N 0 0 198.291 1.241 10 0 ADAERN C[C@H](NC#N)[C@@H]1CC1(C)C 307162944 345854752 /nfs/dbraw/zinc/85/47/52/345854752.db2.gz HVFHMWRFDVZHOW-BQBZGAKWSA-N 0 0 138.214 1.492 10 0 ADAERN N#CN[C@@H]1CCCC1(F)F 307162561 345854808 /nfs/dbraw/zinc/85/48/08/345854808.db2.gz HKZZSCBAJWZUMM-RXMQYKEDSA-N 0 0 146.140 1.245 10 0 ADAERN C[C@H](NC#N)[C@H]1CC1(C)C 307162945 345854839 /nfs/dbraw/zinc/85/48/39/345854839.db2.gz HVFHMWRFDVZHOW-NKWVEPMBSA-N 0 0 138.214 1.492 10 0 ADAERN C[C@@H](NC#N)[C@H]1CC1(C)C 307162946 345854908 /nfs/dbraw/zinc/85/49/08/345854908.db2.gz HVFHMWRFDVZHOW-RNFRBKRXSA-N 0 0 138.214 1.492 10 0 ADAERN N#CN[C@H]1CCCC1(F)F 307162562 345854951 /nfs/dbraw/zinc/85/49/51/345854951.db2.gz HKZZSCBAJWZUMM-YFKPBYRVSA-N 0 0 146.140 1.245 10 0 ADAERN Cn1c([NH2+]CC2CC2)cccc1=O 307162628 345854990 /nfs/dbraw/zinc/85/49/90/345854990.db2.gz LNLWYNUHDMZVKZ-UHFFFAOYSA-N 0 0 178.235 1.207 10 0 ADAERN CC[S@@](=O)Cc1nccc(N)c1C 307163242 345854996 /nfs/dbraw/zinc/85/49/96/345854996.db2.gz ZDZXSRHPVWZOQO-CYBMUJFWSA-N 0 0 198.291 1.241 10 0 ADAERN C[C@@H](NC#N)[C@@H]1CC1(C)C 307162947 345855054 /nfs/dbraw/zinc/85/50/54/345855054.db2.gz HVFHMWRFDVZHOW-RQJHMYQMSA-N 0 0 138.214 1.492 10 0 ADAERN CC1(C)C[NH+]([C@H]2CC[C@@H]2C(=O)[O-])C1 307163509 345855498 /nfs/dbraw/zinc/85/54/98/345855498.db2.gz IUKYMYLMVKYXDO-YUMQZZPRSA-N 0 0 183.251 1.191 10 0 ADAERN CC1(C)C[NH+]([C@@H]2CC[C@H]2C(=O)[O-])C1 307163506 345855509 /nfs/dbraw/zinc/85/55/09/345855509.db2.gz IUKYMYLMVKYXDO-HTQZYQBOSA-N 0 0 183.251 1.191 10 0 ADAERN O=c1nc(-c2cncs2)cc[nH]1 307163313 345855562 /nfs/dbraw/zinc/85/55/62/345855562.db2.gz LUQHNBLLEMNRSI-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cc1ccc(-n2cnc(N)n2)c(F)c1 307163720 345855582 /nfs/dbraw/zinc/85/55/82/345855582.db2.gz LXIQYMHQVXTRMH-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN Cc1cccc(-n2cnc(N)n2)c1F 307163858 345855584 /nfs/dbraw/zinc/85/55/84/345855584.db2.gz MCMHGHICRVOJPG-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CC[C@H]1CCN1C(=O)C(C)(F)F 307163318 345855591 /nfs/dbraw/zinc/85/55/91/345855591.db2.gz LUWHQESUHUIBPU-LURJTMIESA-N 0 0 177.194 1.653 10 0 ADAERN CC1(C)C[NH+]([C@H]2CC[C@H]2C(=O)[O-])C1 307163508 345855649 /nfs/dbraw/zinc/85/56/49/345855649.db2.gz IUKYMYLMVKYXDO-SFYZADRCSA-N 0 0 183.251 1.191 10 0 ADAERN CC[C@@H]1CCN1C(=O)C(C)(F)F 307163319 345855654 /nfs/dbraw/zinc/85/56/54/345855654.db2.gz LUWHQESUHUIBPU-ZCFIWIBFSA-N 0 0 177.194 1.653 10 0 ADAERN CC1(C)C[NH+]([C@@H]2CC[C@@H]2C(=O)[O-])C1 307163507 345855685 /nfs/dbraw/zinc/85/56/85/345855685.db2.gz IUKYMYLMVKYXDO-JGVFFNPUSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@]12C[C@@H](C)[C@H]2C 307164396 345856154 /nfs/dbraw/zinc/85/61/54/345856154.db2.gz JVSMTIONGNJEPS-CDDJKKQXSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]12C[C@@H](C)[C@H]2C 307164393 345856276 /nfs/dbraw/zinc/85/62/76/345856276.db2.gz JVSMTIONGNJEPS-ABCHNEDTSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@H](n1cnc(N)n1)C(C)(C)C 307164504 345856313 /nfs/dbraw/zinc/85/63/13/345856313.db2.gz GRSQFKYZGHYLCC-LURJTMIESA-N 0 0 168.244 1.467 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]12C[C@@H](C)[C@@H]2C 307164397 345856344 /nfs/dbraw/zinc/85/63/44/345856344.db2.gz JVSMTIONGNJEPS-WHSYLGORSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@H]1OC(=O)N[C@H]1c1ccc(O)cc1 307164359 345856382 /nfs/dbraw/zinc/85/63/82/345856382.db2.gz KAWNRBIVNMRXAM-HZGVNTEJSA-N 0 0 193.202 1.562 10 0 ADAERN CC1(C)C[C@H]1c1ccc(=O)[nH]n1 307164016 345856438 /nfs/dbraw/zinc/85/64/38/345856438.db2.gz JPVQCVGRXWXOFI-LURJTMIESA-N 0 0 164.208 1.283 10 0 ADAERN CN(C)c1nccc(NC(C)(C)C)n1 307164510 345856454 /nfs/dbraw/zinc/85/64/54/345856454.db2.gz GSHOGSDKJGVIJM-UHFFFAOYSA-N 0 0 194.282 1.753 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@]12C[C@@H](C)[C@@H]2C 307164395 345856517 /nfs/dbraw/zinc/85/65/17/345856517.db2.gz JVSMTIONGNJEPS-BIIVNPBRSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@@H](n1cnc(N)n1)C(C)(C)C 307164505 345856494 /nfs/dbraw/zinc/85/64/94/345856494.db2.gz GRSQFKYZGHYLCC-ZCFIWIBFSA-N 0 0 168.244 1.467 10 0 ADAERN CC1(C)C[C@@H]1c1ccc(=O)[nH]n1 307164018 345856539 /nfs/dbraw/zinc/85/65/39/345856539.db2.gz JPVQCVGRXWXOFI-ZCFIWIBFSA-N 0 0 164.208 1.283 10 0 ADAERN Nc1cnc(F)c(C(F)(F)F)c1 307165075 345856670 /nfs/dbraw/zinc/85/66/70/345856670.db2.gz MVAUSCCFURGPSN-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN C[C@@]1(CO)CCC2(CCC2)O1 307165011 345856688 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XZWDZNMWVDBLOD-UHFFFAOYSA-N 0 0 186.642 1.533 10 0 ADAERN Nc1cc(Cl)cnc1N1CCC1 307169779 345862354 /nfs/dbraw/zinc/86/23/54/345862354.db2.gz ZBZPCTINUVYDGA-UHFFFAOYSA-N 0 0 183.642 1.527 10 0 ADAERN CC(C)(F)C(=O)N[C@H]1CC[C@H](F)C1 307169292 345862356 /nfs/dbraw/zinc/86/23/56/345862356.db2.gz XSWYXYMAUXQHGA-BQBZGAKWSA-N 0 0 191.221 1.741 10 0 ADAERN Cc1nc(CN2CCC2)[nH]c(=O)c1C 307169286 345862358 /nfs/dbraw/zinc/86/23/58/345862358.db2.gz XSCIHCFQRRRWNF-UHFFFAOYSA-N 0 0 193.250 1.005 10 0 ADAERN CC[C@@H]1CCc2[nH]c(=O)ncc2C1 307169917 345862398 /nfs/dbraw/zinc/86/23/98/345862398.db2.gz ZMINCHJVNSXASY-SSDOTTSWSA-N 0 0 178.235 1.697 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](NN)c1cscn1 307169697 345862435 /nfs/dbraw/zinc/86/24/35/345862435.db2.gz YTVOPVJYRDIXBA-JKMUOGBPSA-N 0 0 183.280 1.304 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](NN)c1cscn1 307169696 345862438 /nfs/dbraw/zinc/86/24/38/345862438.db2.gz YTVOPVJYRDIXBA-GKROBHDKSA-N 0 0 183.280 1.304 10 0 ADAERN CO[C@@H](C)[C@H](O)c1ccc[nH]1 307170451 345862703 /nfs/dbraw/zinc/86/27/03/345862703.db2.gz AMPNDEBPZSUEEA-XPUUQOCRSA-N 0 0 155.197 1.083 10 0 ADAERN CO[C@H](C)[C@@H](O)c1ccc[nH]1 307170432 345862734 /nfs/dbraw/zinc/86/27/34/345862734.db2.gz AMPNDEBPZSUEEA-HTRCEHHLSA-N 0 0 155.197 1.083 10 0 ADAERN Cc1nccc(C2=NC(=O)CS2)n1 307170101 345862836 /nfs/dbraw/zinc/86/28/36/345862836.db2.gz ZXBPKQRWLBSJAJ-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CO[C@@H](C)[C@@H](O)c1ccc[nH]1 307170438 345862850 /nfs/dbraw/zinc/86/28/50/345862850.db2.gz AMPNDEBPZSUEEA-POYBYMJQSA-N 0 0 155.197 1.083 10 0 ADAERN CNC(=O)C=C1CCSCC1 307170131 345862890 /nfs/dbraw/zinc/86/28/90/345862890.db2.gz GNMPCQHZYJKNJV-UHFFFAOYSA-N 0 0 171.265 1.186 10 0 ADAERN S=c1[nH]ccn1C[C@H]1[C@@H]2COC[C@@H]21 307170303 345862927 /nfs/dbraw/zinc/86/29/27/345862927.db2.gz AROPMRWBESFTHN-WHUPJOBBSA-N 0 0 196.275 1.064 10 0 ADAERN CO[C@H](C)[C@H](O)c1ccc[nH]1 307170446 345862939 /nfs/dbraw/zinc/86/29/39/345862939.db2.gz AMPNDEBPZSUEEA-SVRRBLITSA-N 0 0 155.197 1.083 10 0 ADAERN CC[C@H]1CCc2[nH]c(=O)ncc2C1 307169918 345862963 /nfs/dbraw/zinc/86/29/63/345862963.db2.gz ZMINCHJVNSXASY-ZETCQYMHSA-N 0 0 178.235 1.697 10 0 ADAERN Nc1cnc(F)cc1C(F)(F)F 307170051 345862976 /nfs/dbraw/zinc/86/29/76/345862976.db2.gz ZSKJVMRWTWYTDJ-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN O=C1NC[C@]2(CCC[C@@H]3C[C@@H]32)O1 307170214 345863044 /nfs/dbraw/zinc/86/30/44/345863044.db2.gz KGCOHANQYYOWDE-FJXKBIBVSA-N 0 0 167.208 1.285 10 0 ADAERN O=C1NC[C@]2(CCC[C@H]3C[C@H]32)O1 307170220 345863074 /nfs/dbraw/zinc/86/30/74/345863074.db2.gz KGCOHANQYYOWDE-OOZYFLPDSA-N 0 0 167.208 1.285 10 0 ADAERN C[C@]1([C@H]2CCCO2)[NH2+]CCS1 307171623 345863454 /nfs/dbraw/zinc/86/34/54/345863454.db2.gz LWNTVWHEOUMSII-SFYZADRCSA-N 0 0 173.281 1.218 10 0 ADAERN C[C@@]1([C@H]2CCCO2)[NH2+]CCS1 307171620 345863583 /nfs/dbraw/zinc/86/35/83/345863583.db2.gz LWNTVWHEOUMSII-HTQZYQBOSA-N 0 0 173.281 1.218 10 0 ADAERN C[C@@]1([C@@H]2CCCO2)[NH2+]CCS1 307171622 345863645 /nfs/dbraw/zinc/86/36/45/345863645.db2.gz LWNTVWHEOUMSII-JGVFFNPUSA-N 0 0 173.281 1.218 10 0 ADAERN C[C@]1([C@@H]2CCCO2)[NH2+]CCS1 307171624 345863673 /nfs/dbraw/zinc/86/36/73/345863673.db2.gz LWNTVWHEOUMSII-YUMQZZPRSA-N 0 0 173.281 1.218 10 0 ADAERN CN[C@@H](c1cn[nH]n1)c1cocc1C 307172779 345863974 /nfs/dbraw/zinc/86/39/74/345863974.db2.gz NOPNHKJQJWCFMZ-SECBINFHSA-N 0 0 192.222 1.015 10 0 ADAERN O=C1CCC(O)(C2=COCC2)CC1 307172446 345864014 /nfs/dbraw/zinc/86/40/14/345864014.db2.gz MVECZFBAIUFRIX-UHFFFAOYSA-N 0 0 182.219 1.165 10 0 ADAERN O=C1N[C@H](c2cncs2)C12CCC2 307172342 345864096 /nfs/dbraw/zinc/86/40/96/345864096.db2.gz BTLMDYWXTKAFGO-SSDOTTSWSA-N 0 0 194.259 1.484 10 0 ADAERN Clc1cnc(-n2ccnc2)cn1 307172659 345864193 /nfs/dbraw/zinc/86/41/93/345864193.db2.gz QEGIJHLGXIIEEA-UHFFFAOYSA-N 0 0 180.598 1.316 10 0 ADAERN CN[C@H](c1cn[nH]n1)c1cocc1C 307172780 345864314 /nfs/dbraw/zinc/86/43/14/345864314.db2.gz NOPNHKJQJWCFMZ-VIFPVBQESA-N 0 0 192.222 1.015 10 0 ADAERN O=C1N[C@@H](c2cncs2)C12CCC2 307172343 345864451 /nfs/dbraw/zinc/86/44/51/345864451.db2.gz BTLMDYWXTKAFGO-ZETCQYMHSA-N 0 0 194.259 1.484 10 0 ADAERN CC(C)NC(=S)N[C@H]1C[C@@H]2C[C@@H]2C1 307172067 345864453 /nfs/dbraw/zinc/86/44/53/345864453.db2.gz MMXQBDOWRUZGMR-AYMMMOKOSA-N 0 0 198.335 1.657 10 0 ADAERN O=C(Nc1c[nH]nc1Cl)C1CC1 307172134 345864461 /nfs/dbraw/zinc/86/44/61/345864461.db2.gz HPLJNHSPASGTSJ-UHFFFAOYSA-N 0 0 185.614 1.412 10 0 ADAERN CC[C@@]1(C)C[C@H]1n1c(=O)[nH][nH]c1=S 307172860 345864636 /nfs/dbraw/zinc/86/46/36/345864636.db2.gz CBHLHQWJNNSEDL-XRGYYRRGSA-N 0 0 199.279 1.221 10 0 ADAERN CC1(C2(N3CCNC3=O)CC2)CC1 307173515 345864978 /nfs/dbraw/zinc/86/49/78/345864978.db2.gz OZOKRIHNURAEAL-UHFFFAOYSA-N 0 0 180.251 1.344 10 0 ADAERN Cc1c[nH]c(-c2cncnc2C)n1 307173533 345864650 /nfs/dbraw/zinc/86/46/50/345864650.db2.gz PBNZYOVQDNSRJH-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN CC[C@]1(C)C[C@H]1n1c(=O)[nH][nH]c1=S 307172858 345864826 /nfs/dbraw/zinc/86/48/26/345864826.db2.gz CBHLHQWJNNSEDL-SVGQVSJJSA-N 0 0 199.279 1.221 10 0 ADAERN C[C@H]1C(=O)NC(C)(C)[C@@]1(C)C1CC1 307173752 345864979 /nfs/dbraw/zinc/86/49/79/345864979.db2.gz DACCROCREANFFF-WRWORJQWSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@]1(C)C[C@@H]1n1c(=O)[nH][nH]c1=S 307172861 345864910 /nfs/dbraw/zinc/86/49/10/345864910.db2.gz CBHLHQWJNNSEDL-YLWLKBPMSA-N 0 0 199.279 1.221 10 0 ADAERN O=C(c1cccnc1)c1ccns1 307173119 345864918 /nfs/dbraw/zinc/86/49/18/345864918.db2.gz QWFMNOPLGJZYHQ-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN C[C@@H]1C(=O)NC(C)(C)[C@]1(C)C1CC1 307173750 345864951 /nfs/dbraw/zinc/86/49/51/345864951.db2.gz DACCROCREANFFF-HQJQHLMTSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C(=O)NC(C)(C)[C@@]1(C)C1CC1 307173751 345864996 /nfs/dbraw/zinc/86/49/96/345864996.db2.gz DACCROCREANFFF-RDDDGLTNSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@H]1C(=O)NC(C)(C)[C@]1(C)C1CC1 307173749 345864999 /nfs/dbraw/zinc/86/49/99/345864999.db2.gz DACCROCREANFFF-CPCISQLKSA-N 0 0 181.279 1.947 10 0 ADAERN CNc1nc(C2CCC2)ncc1OC 307172868 345865025 /nfs/dbraw/zinc/86/50/25/345865025.db2.gz CCQQQRITAZHZQE-UHFFFAOYSA-N 0 0 193.250 1.794 10 0 ADAERN O[C@@H]1CC[C@H](Nc2ccccn2)C1 307172878 345865031 /nfs/dbraw/zinc/86/50/31/345865031.db2.gz CDUNZEPVGDXVGO-DTWKUNHWSA-N 0 0 178.235 1.407 10 0 ADAERN CC[C@@]1(C)C[C@@H]1n1c(=O)[nH][nH]c1=S 307172859 345865058 /nfs/dbraw/zinc/86/50/58/345865058.db2.gz CBHLHQWJNNSEDL-XNCJUZBTSA-N 0 0 199.279 1.221 10 0 ADAERN Cc1ccc([C@H](C)N2CCOCC2)o1 307172944 345865072 /nfs/dbraw/zinc/86/50/72/345865072.db2.gz QLGRFHDOFHHBHY-JTQLQIEISA-N 0 0 195.262 1.981 10 0 ADAERN CC(=O)c1c[nH]c([C@H]2C[C@@H]2C)n1 307173965 345865327 /nfs/dbraw/zinc/86/53/27/345865327.db2.gz PTMZUYBVKZZHOU-FSPLSTOPSA-N 0 0 164.208 1.736 10 0 ADAERN O[C@H](C1=COCC1)C1CC1 307174492 345865368 /nfs/dbraw/zinc/86/53/68/345865368.db2.gz UGZBEVUNBGUYOF-QMMMGPOBSA-N 0 0 140.182 1.062 10 0 ADAERN c1ccc(NCc2cnns2)nc1 307174474 345865372 /nfs/dbraw/zinc/86/53/72/345865372.db2.gz UDPAOIOVVGQPEC-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CC(=O)c1c[nH]c([C@@H]2C[C@H]2C)n1 307173966 345865385 /nfs/dbraw/zinc/86/53/85/345865385.db2.gz PTMZUYBVKZZHOU-IYSWYEEDSA-N 0 0 164.208 1.736 10 0 ADAERN CC(C)(O)CCNc1cccc(N)c1 307174206 345865417 /nfs/dbraw/zinc/86/54/17/345865417.db2.gz QEWPDLMBUODGIZ-UHFFFAOYSA-N 0 0 194.278 1.842 10 0 ADAERN CC1(C)CC[C@H]1NC(=O)[C@H]1CCO1 307174460 345865422 /nfs/dbraw/zinc/86/54/22/345865422.db2.gz FBXIFDOQLJJWBX-HTQZYQBOSA-N 0 0 183.251 1.080 10 0 ADAERN COc1ccc(C(=O)[C@H](C)O)s1 307175277 345866000 /nfs/dbraw/zinc/86/60/00/345866000.db2.gz VQVFSHIERGRBRX-YFKPBYRVSA-N 0 0 186.232 1.320 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H](C)CF 307174417 345865439 /nfs/dbraw/zinc/86/54/39/345865439.db2.gz DVWQRLOHUQXFDF-NGAMADIESA-N 0 0 159.204 1.427 10 0 ADAERN O[C@@H](C1=COCC1)C1CC1 307174491 345865457 /nfs/dbraw/zinc/86/54/57/345865457.db2.gz UGZBEVUNBGUYOF-MRVPVSSYSA-N 0 0 140.182 1.062 10 0 ADAERN CC1(C)CC[C@H]1NC(=O)[C@@H]1CCO1 307174461 345865484 /nfs/dbraw/zinc/86/54/84/345865484.db2.gz FBXIFDOQLJJWBX-JGVFFNPUSA-N 0 0 183.251 1.080 10 0 ADAERN CC(=O)c1c[nH]c([C@@H]2C[C@@H]2C)n1 307173964 345865488 /nfs/dbraw/zinc/86/54/88/345865488.db2.gz PTMZUYBVKZZHOU-CAHLUQPWSA-N 0 0 164.208 1.736 10 0 ADAERN C[C@@H]1C(=O)NCC12CCSCC2 307174899 345866076 /nfs/dbraw/zinc/86/60/76/345866076.db2.gz RHHWLWPNUWVHIY-SSDOTTSWSA-N 0 0 185.292 1.266 10 0 ADAERN CC(=O)c1c[nH]c([C@H]2C[C@H]2C)n1 307173967 345865562 /nfs/dbraw/zinc/86/55/62/345865562.db2.gz PTMZUYBVKZZHOU-VDTYLAMSSA-N 0 0 164.208 1.736 10 0 ADAERN CC1(C)CC[C@@H]1NC(=O)[C@@H]1CCO1 307174463 345865578 /nfs/dbraw/zinc/86/55/78/345865578.db2.gz FBXIFDOQLJJWBX-YUMQZZPRSA-N 0 0 183.251 1.080 10 0 ADAERN C/C=C(/C)C(=O)N[C@H](C)CF 307174416 345865594 /nfs/dbraw/zinc/86/55/94/345865594.db2.gz DVWQRLOHUQXFDF-FXXDRWHHSA-N 0 0 159.204 1.427 10 0 ADAERN CC1(C)CC[C@@H]1NC(=O)[C@H]1CCO1 307174462 345865602 /nfs/dbraw/zinc/86/56/02/345865602.db2.gz FBXIFDOQLJJWBX-SFYZADRCSA-N 0 0 183.251 1.080 10 0 ADAERN COC1CN(c2cccc(N)c2)C1 307173935 345865670 /nfs/dbraw/zinc/86/56/70/345865670.db2.gz PPRJXPRBRJVIJB-UHFFFAOYSA-N 0 0 178.235 1.104 10 0 ADAERN C[C@H]1C(=O)NCC12CCSCC2 307174901 345866016 /nfs/dbraw/zinc/86/60/16/345866016.db2.gz RHHWLWPNUWVHIY-ZETCQYMHSA-N 0 0 185.292 1.266 10 0 ADAERN Cc1nc([C@@H](N)c2ccc[nH]2)co1 307174550 345866029 /nfs/dbraw/zinc/86/60/29/345866029.db2.gz QNFQPHQWLAODEL-VIFPVBQESA-N 0 0 177.207 1.359 10 0 ADAERN O=C([O-])CC[N@@H+]1CCCC12CCCC2 307175252 345866042 /nfs/dbraw/zinc/86/60/42/345866042.db2.gz FPHPKQDTGNBBTG-UHFFFAOYSA-N 0 0 197.278 1.870 10 0 ADAERN ONc1cnnc2ccccc12 307175316 345866062 /nfs/dbraw/zinc/86/60/62/345866062.db2.gz FUQBRNQHPNOSIS-UHFFFAOYSA-N 0 0 161.164 1.431 10 0 ADAERN CONC(=O)c1nc(Cl)cs1 307174860 345866073 /nfs/dbraw/zinc/86/60/73/345866073.db2.gz FJSDAISIDTWKFQ-UHFFFAOYSA-N 0 0 192.627 1.088 10 0 ADAERN Cc1ccoc1CN1CN=NC1=S 307175037 345866154 /nfs/dbraw/zinc/86/61/54/345866154.db2.gz VHGPIUPURCPPEI-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN CCCN(C)c1ccnc(C)n1 307175287 345866207 /nfs/dbraw/zinc/86/62/07/345866207.db2.gz FQZWZKPAAHBTJE-UHFFFAOYSA-N 0 0 165.240 1.631 10 0 ADAERN COc1ccc(C(=O)[C@@H](C)O)s1 307175276 345866211 /nfs/dbraw/zinc/86/62/11/345866211.db2.gz VQVFSHIERGRBRX-RXMQYKEDSA-N 0 0 186.232 1.320 10 0 ADAERN Cc1nc([C@H](N)c2ccc[nH]2)co1 307174548 345866217 /nfs/dbraw/zinc/86/62/17/345866217.db2.gz QNFQPHQWLAODEL-SECBINFHSA-N 0 0 177.207 1.359 10 0 ADAERN C[C@]1(c2nnc(Cl)o2)C[C@H]1F 307175746 345866563 /nfs/dbraw/zinc/86/65/63/345866563.db2.gz WWENDTNVNBHHSN-CVYQJGLWSA-N 0 0 176.578 1.723 10 0 ADAERN C[C@@]1(c2nnc(Cl)o2)C[C@H]1F 307175744 345866585 /nfs/dbraw/zinc/86/65/85/345866585.db2.gz WWENDTNVNBHHSN-AWFVSMACSA-N 0 0 176.578 1.723 10 0 ADAERN Cc1cc(N[C@H]2C[C@@H]3C[C@@H]3C2)ncn1 307176584 345866587 /nfs/dbraw/zinc/86/65/87/345866587.db2.gz YKTKZWNOGKGFSU-ILWJIGKKSA-N 0 0 189.262 1.995 10 0 ADAERN CNCc1ncc(C2(C)CC2)o1 307175766 345866595 /nfs/dbraw/zinc/86/65/95/345866595.db2.gz WYYMWHVYXIFJSA-UHFFFAOYSA-N 0 0 166.224 1.446 10 0 ADAERN 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345873043 /nfs/dbraw/zinc/87/30/43/345873043.db2.gz QMXAERDXHCRVMQ-UHFFFAOYSA-N 0 0 136.154 1.159 10 0 ADAERN OC[C@@H]1CC[C@@H](c2ccccn2)O1 307184225 345873046 /nfs/dbraw/zinc/87/30/46/345873046.db2.gz DXUNROMHUVJNMK-WPRPVWTQSA-N 0 0 179.219 1.294 10 0 ADAERN Cc1cnn(C)c1[C@@H](O)C(F)(F)F 307184706 345873063 /nfs/dbraw/zinc/87/30/63/345873063.db2.gz GAKAIOWRJKSTAB-ZCFIWIBFSA-N 0 0 194.156 1.324 10 0 ADAERN CSC1([C@@H](O)c2cncnc2)CC1 307184783 345873064 /nfs/dbraw/zinc/87/30/64/345873064.db2.gz GCZIERJRICAATF-QMMMGPOBSA-N 0 0 196.275 1.406 10 0 ADAERN C[C@H]1C[C@@H](C)N1Cc1cc[nH]n1 307184211 345873142 /nfs/dbraw/zinc/87/31/42/345873142.db2.gz BAUZWHLELGKQFB-OCAPTIKFSA-N 0 0 165.240 1.392 10 0 ADAERN CSC1([C@H](O)c2cncnc2)CC1 307184782 345873170 /nfs/dbraw/zinc/87/31/70/345873170.db2.gz GCZIERJRICAATF-MRVPVSSYSA-N 0 0 196.275 1.406 10 0 ADAERN OC[C@H]1CC[C@H](c2ccccn2)O1 307184220 345873209 /nfs/dbraw/zinc/87/32/09/345873209.db2.gz DXUNROMHUVJNMK-PSASIEDQSA-N 0 0 179.219 1.294 10 0 ADAERN OC[C@@H]1CC[C@H](c2ccccn2)O1 307184224 345873218 /nfs/dbraw/zinc/87/32/18/345873218.db2.gz DXUNROMHUVJNMK-WCBMZHEXSA-N 0 0 179.219 1.294 10 0 ADAERN Fc1cnc(F)c(OC(F)F)c1 307185939 345873632 /nfs/dbraw/zinc/87/36/32/345873632.db2.gz KOFGBAVPBDKWMB-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN CC1(C)CC([NH3+])(C(F)F)C1 307185730 345873675 /nfs/dbraw/zinc/87/36/75/345873675.db2.gz JVHCEGCCXZHBON-UHFFFAOYSA-N 0 0 149.184 1.769 10 0 ADAERN O=C1CC[C@@H](C[C@@H]2CCOC2)C1 307185963 345873709 /nfs/dbraw/zinc/87/37/09/345873709.db2.gz SZWYNSGNPBFQFL-IUCAKERBSA-N 0 0 168.236 1.782 10 0 ADAERN NC(=O)Oc1cc(Cl)ccc1N 307186079 345873718 /nfs/dbraw/zinc/87/37/18/345873718.db2.gz LELKUNXFTVMSJX-UHFFFAOYSA-N 0 0 186.598 1.380 10 0 ADAERN Fc1cc(N2CCC2)ccn1 307185240 345873762 /nfs/dbraw/zinc/87/37/62/345873762.db2.gz HIXABILQNBLMJE-UHFFFAOYSA-N 0 0 152.172 1.431 10 0 ADAERN O=C1CC[C@H](C[C@@H]2CCOC2)C1 307185961 345873769 /nfs/dbraw/zinc/87/37/69/345873769.db2.gz SZWYNSGNPBFQFL-BDAKNGLRSA-N 0 0 168.236 1.782 10 0 ADAERN O=C1CC[C@H](C[C@H]2CCOC2)C1 307185964 345873779 /nfs/dbraw/zinc/87/37/79/345873779.db2.gz SZWYNSGNPBFQFL-RKDXNWHRSA-N 0 0 168.236 1.782 10 0 ADAERN O=C1CC[C@@H](C[C@H]2CCOC2)C1 307185962 345873812 /nfs/dbraw/zinc/87/38/12/345873812.db2.gz SZWYNSGNPBFQFL-DTWKUNHWSA-N 0 0 168.236 1.782 10 0 ADAERN CCCNc1cnc(C)cn1 307185190 345873921 /nfs/dbraw/zinc/87/39/21/345873921.db2.gz RRPLSADQWPQVDW-UHFFFAOYSA-N 0 0 151.213 1.607 10 0 ADAERN O=c1[nH]c(F)ccc1C(F)(F)F 307186883 345874177 /nfs/dbraw/zinc/87/41/77/345874177.db2.gz NPTMBRGYWSQELV-UHFFFAOYSA-N 0 0 181.088 1.945 10 0 ADAERN C[C@H](NC1CSC1)C(C)(F)F 307186352 345874187 /nfs/dbraw/zinc/87/41/87/345874187.db2.gz ULVJTNSCOHZNJS-YFKPBYRVSA-N 0 0 181.251 1.735 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](C)Nc1cncnc1 307186853 345874225 /nfs/dbraw/zinc/87/42/25/345874225.db2.gz NLMXVSKDXSFDCA-NQMVMOMDSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](C)Nc1cncnc1 307186852 345874228 /nfs/dbraw/zinc/87/42/28/345874228.db2.gz NLMXVSKDXSFDCA-MRTMQBJTSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@H](Nc1cncnc1)[C@H]1C[C@H]1C 307186854 345874241 /nfs/dbraw/zinc/87/42/41/345874241.db2.gz NLMXVSKDXSFDCA-WEDXCCLWSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@H](Nc1cncnc1)[C@@H]1C[C@H]1C 307186851 345874371 /nfs/dbraw/zinc/87/43/71/345874371.db2.gz NLMXVSKDXSFDCA-KHQFGBGNSA-N 0 0 177.251 1.933 10 0 ADAERN C[C@@H](NC1CSC1)C(C)(F)F 307186351 345874381 /nfs/dbraw/zinc/87/43/81/345874381.db2.gz ULVJTNSCOHZNJS-RXMQYKEDSA-N 0 0 181.251 1.735 10 0 ADAERN Nc1noc([C@@H]2CCCC2(F)F)n1 307186397 345874432 /nfs/dbraw/zinc/87/44/32/345874432.db2.gz UQUIQDANMXKSNF-BYPYZUCNSA-N 0 0 189.165 1.555 10 0 ADAERN CC(=O)Oc1cccc2c[nH]nc12 307186365 345874522 /nfs/dbraw/zinc/87/45/22/345874522.db2.gz UMAIONQZGVKXSH-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN Nc1noc([C@H]2CCCC2(F)F)n1 307186398 345874543 /nfs/dbraw/zinc/87/45/43/345874543.db2.gz UQUIQDANMXKSNF-SCSAIBSYSA-N 0 0 189.165 1.555 10 0 ADAERN CC(C)N1CC(Nc2ncns2)C1 307186191 345874547 /nfs/dbraw/zinc/87/45/47/345874547.db2.gz UHFUHICLIWYATH-UHFFFAOYSA-N 0 0 198.295 1.043 10 0 ADAERN COc1cc(N)c(O)cc1F 307187086 345874556 /nfs/dbraw/zinc/87/45/56/345874556.db2.gz OAJUDCPFRAQKJB-UHFFFAOYSA-N 0 0 157.144 1.122 10 0 ADAERN CNc1nc(C(C)(C)SC)no1 307187507 345874919 /nfs/dbraw/zinc/87/49/19/345874919.db2.gz PLRPOAIWZZRJAX-UHFFFAOYSA-N 0 0 187.268 1.709 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)NC1(C)CC1 307187256 345875044 /nfs/dbraw/zinc/87/50/44/345875044.db2.gz VQVVYLDFFGUQKP-HTQZYQBOSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1ncc(-c2ncccc2O)n1C 307187302 345875046 /nfs/dbraw/zinc/87/50/46/345875046.db2.gz OPXUGPXOAZSPFI-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)NC1(C)CC1 307187258 345875087 /nfs/dbraw/zinc/87/50/87/345875087.db2.gz VQVVYLDFFGUQKP-SFYZADRCSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)NC1(C)CC1 307187257 345875195 /nfs/dbraw/zinc/87/51/95/345875195.db2.gz VQVVYLDFFGUQKP-JGVFFNPUSA-N 0 0 183.251 1.080 10 0 ADAERN O=Cc1cnc(N2CCC2)s1 307188341 345875525 /nfs/dbraw/zinc/87/55/25/345875525.db2.gz XDMBDENYMYVGIG-UHFFFAOYSA-N 0 0 168.221 1.166 10 0 ADAERN C[C@@H](c1ncn(N)c1N)C(C)(C)C 307188539 345875615 /nfs/dbraw/zinc/87/56/15/345875615.db2.gz RKVNRNFUTZRHGE-LURJTMIESA-N 0 0 182.271 1.329 10 0 ADAERN NC(=O)c1cc(C2CC2)cnc1Cl 307188423 345875736 /nfs/dbraw/zinc/87/57/36/345875736.db2.gz BFZYCDZRTVMONL-UHFFFAOYSA-N 0 0 196.637 1.711 10 0 ADAERN C[C@H](c1ncn(N)c1N)C(C)(C)C 307188540 345875742 /nfs/dbraw/zinc/87/57/42/345875742.db2.gz RKVNRNFUTZRHGE-ZCFIWIBFSA-N 0 0 182.271 1.329 10 0 ADAERN Cc1n[nH]cc1C[N@@H+]1CCC1(C)C 307188466 345875780 /nfs/dbraw/zinc/87/57/80/345875780.db2.gz BKPVHUPSLNIYIG-UHFFFAOYSA-N 0 0 179.267 1.702 10 0 ADAERN C[C@@H]1CCN1C(=S)NC1CCC1 307189059 345876155 /nfs/dbraw/zinc/87/61/55/345876155.db2.gz CGPYNBIMFRNVBE-SSDOTTSWSA-N 0 0 184.308 1.508 10 0 ADAERN CCCCNc1cncc(=O)[nH]1 307189125 345876177 /nfs/dbraw/zinc/87/61/77/345876177.db2.gz CKGAVOIIQVPIKM-UHFFFAOYSA-N 0 0 167.212 1.394 10 0 ADAERN CC[C@@]1([C@H]2CC2(C)C)CC(=O)N1 307190819 345876559 /nfs/dbraw/zinc/87/65/59/345876559.db2.gz AADQVIXWIHSUIN-XVKPBYJWSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1nc(C)c([C@H]2COC(=O)N2)s1 307189899 345876583 /nfs/dbraw/zinc/87/65/83/345876583.db2.gz VUSZCKPHSCJWRU-ZCFIWIBFSA-N 0 0 198.247 1.541 10 0 ADAERN CC1(C)CN(c2ncc[nH]2)CCO1 307190330 345876595 /nfs/dbraw/zinc/87/65/95/345876595.db2.gz ZFKKUVGYPMAKDD-UHFFFAOYSA-N 0 0 181.239 1.025 10 0 ADAERN Cn1ncc(-c2ccccc2O)n1 307190539 345876603 /nfs/dbraw/zinc/87/66/03/345876603.db2.gz ZQWSCBIOZVZKSA-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Fc1cc(OC(F)F)ccn1 307190683 345876669 /nfs/dbraw/zinc/87/66/69/345876669.db2.gz YKQPKHFTXRXLCN-UHFFFAOYSA-N 0 0 163.098 1.822 10 0 ADAERN COC(C)(C)CC(N)=S 307190097 345876677 /nfs/dbraw/zinc/87/66/77/345876677.db2.gz WLKWIGMPSBUHOK-UHFFFAOYSA-N 0 0 147.243 1.088 10 0 ADAERN CC(C)C[C@@](C)(O)c1cnn(C)n1 307190324 345876707 /nfs/dbraw/zinc/87/67/07/345876707.db2.gz XHNYYBFCPKGWOM-SECBINFHSA-N 0 0 183.255 1.069 10 0 ADAERN Cc1nc(C)c([C@@H]2COC(=O)N2)s1 307189898 345876734 /nfs/dbraw/zinc/87/67/34/345876734.db2.gz VUSZCKPHSCJWRU-LURJTMIESA-N 0 0 198.247 1.541 10 0 ADAERN CC[C@]1([C@@H]2CC2(C)C)CC(=O)N1 307190794 345876740 /nfs/dbraw/zinc/87/67/40/345876740.db2.gz AADQVIXWIHSUIN-GMSGAONNSA-N 0 0 167.252 1.701 10 0 ADAERN CC[C@]1([C@H]2CC2(C)C)CC(=O)N1 307190806 345876759 /nfs/dbraw/zinc/87/67/59/345876759.db2.gz AADQVIXWIHSUIN-OIBJUYFYSA-N 0 0 167.252 1.701 10 0 ADAERN CNC(=O)C1=CCCC1(C)C 307190778 345876808 /nfs/dbraw/zinc/87/68/08/345876808.db2.gz AAUVWXFOILLCHC-UHFFFAOYSA-N 0 0 153.225 1.479 10 0 ADAERN CC(C)C[C@](C)(O)c1cnn(C)n1 307190394 345876819 /nfs/dbraw/zinc/87/68/19/345876819.db2.gz XHNYYBFCPKGWOM-VIFPVBQESA-N 0 0 183.255 1.069 10 0 ADAERN CC[C@@]1([C@@H]2CC2(C)C)CC(=O)N1 307190812 345876831 /nfs/dbraw/zinc/87/68/31/345876831.db2.gz AADQVIXWIHSUIN-XCBNKYQSSA-N 0 0 167.252 1.701 10 0 ADAERN O=C1CC(C2CCC2)(C2CCC2)N1 307189887 345876853 /nfs/dbraw/zinc/87/68/53/345876853.db2.gz VSXURVIWXQQGLX-UHFFFAOYSA-N 0 0 179.263 1.845 10 0 ADAERN CC(=O)c1cn(C(F)F)c(C)n1 307191287 345877093 /nfs/dbraw/zinc/87/70/93/345877093.db2.gz ZJFUIMHOIYYGLX-UHFFFAOYSA-N 0 0 174.150 1.789 10 0 ADAERN Cc1cocc1[C@H](N)c1ncc[nH]1 307191691 345877183 /nfs/dbraw/zinc/87/71/83/345877183.db2.gz ALLSQDMDNKAEJH-QMMMGPOBSA-N 0 0 177.207 1.359 10 0 ADAERN CCc1cc(=S)n([C@@H]2CCOC2)[nH]1 307191614 345877193 /nfs/dbraw/zinc/87/71/93/345877193.db2.gz ZWEFCNVIUWJFSQ-MRVPVSSYSA-N 0 0 198.291 1.696 10 0 ADAERN Cc1nc([C@H]2CC[C@H](CO)O2)cs1 307192877 345878459 /nfs/dbraw/zinc/87/84/59/345878459.db2.gz DOBKXOFDHSCNNC-VXNVDRBHSA-N 0 0 199.275 1.664 10 0 ADAERN CCc1cc(=S)n([C@H]2CCOC2)[nH]1 307191615 345877203 /nfs/dbraw/zinc/87/72/03/345877203.db2.gz ZWEFCNVIUWJFSQ-QMMMGPOBSA-N 0 0 198.291 1.696 10 0 ADAERN CC(C)NC(=O)[C@H]1C=CCCC1 307191049 345877246 /nfs/dbraw/zinc/87/72/46/345877246.db2.gz AIDVOFHYSVDDIJ-VIFPVBQESA-N 0 0 167.252 1.867 10 0 ADAERN C/C(=C/C(N)=O)c1ccccc1C 307191110 345877285 /nfs/dbraw/zinc/87/72/85/345877285.db2.gz KFTKUPUFLNSCEW-CLFYSBASSA-N 0 0 175.231 1.884 10 0 ADAERN Oc1ccc(CN2CCCN2)cc1 307191776 345877293 /nfs/dbraw/zinc/87/72/93/345877293.db2.gz BHEAHVFIMSGMBS-UHFFFAOYSA-N 0 0 178.235 1.103 10 0 ADAERN Cc1cocc1[C@@H](N)c1ncc[nH]1 307191690 345877295 /nfs/dbraw/zinc/87/72/95/345877295.db2.gz ALLSQDMDNKAEJH-MRVPVSSYSA-N 0 0 177.207 1.359 10 0 ADAERN CC(C)NC(=O)[C@@H]1C=CCCC1 307191045 345877328 /nfs/dbraw/zinc/87/73/28/345877328.db2.gz AIDVOFHYSVDDIJ-SECBINFHSA-N 0 0 167.252 1.867 10 0 ADAERN Cc1cocc1[C@H](O)c1cnccn1 307191794 345877391 /nfs/dbraw/zinc/87/73/91/345877391.db2.gz BKSGQYKSMUXDJX-JTQLQIEISA-N 0 0 190.202 1.460 10 0 ADAERN C[C@@H](C(=O)N(C)C#N)c1cccs1 307191886 345877715 /nfs/dbraw/zinc/87/77/15/345877715.db2.gz KYEGWMVTWJHAPC-SSDOTTSWSA-N 0 0 194.259 1.791 10 0 ADAERN C[C@@H](Nc1ncns1)c1ncon1 307191834 345877814 /nfs/dbraw/zinc/87/78/14/345877814.db2.gz BRDBDQOWPCYWDG-SCSAIBSYSA-N 0 0 197.223 1.094 10 0 ADAERN C[C@H](Nc1ncns1)c1ncon1 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/nfs/dbraw/zinc/88/98/52/345889852.db2.gz GYCPKJFTPUPHTI-UHFFFAOYSA-N 0 0 169.199 1.979 10 0 ADAERN CC(C)=C[C@@]1(O)CCOC1(C)C 307205960 345889860 /nfs/dbraw/zinc/88/98/60/345889860.db2.gz GZTFDLWTUJTBCD-JTQLQIEISA-N 0 0 170.252 1.883 10 0 ADAERN FC1(CNc2cnccn2)CC1 307206365 345889871 /nfs/dbraw/zinc/88/98/71/345889871.db2.gz KRGCHSYJGMIQIW-UHFFFAOYSA-N 0 0 167.187 1.391 10 0 ADAERN C[C@H]1C[C@H]1Nc1nc(C(N)=O)cs1 307205730 345890015 /nfs/dbraw/zinc/89/00/15/345890015.db2.gz GVFXMZLTWWPVJY-CRCLSJGQSA-N 0 0 197.263 1.062 10 0 ADAERN C[C@H]1CCN(c2ncc[nH]2)CCS1 307206730 345890243 /nfs/dbraw/zinc/89/02/43/345890243.db2.gz ISJMDWIYPVTEGM-QMMMGPOBSA-N 0 0 197.307 1.742 10 0 ADAERN CN(C#N)C(=O)c1cccnc1Cl 307206918 345890362 /nfs/dbraw/zinc/89/03/62/345890362.db2.gz MAJLRJSGMTZYIV-UHFFFAOYSA-N 0 0 195.609 1.288 10 0 ADAERN CCN1C(=O)CN[C@@]1(C)CC(C)C 307206945 345890442 /nfs/dbraw/zinc/89/04/42/345890442.db2.gz HZDIQLUMXNEOEF-SNVBAGLBSA-N 0 0 184.283 1.200 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccnn1C 307206845 345890629 /nfs/dbraw/zinc/89/06/29/345890629.db2.gz LREIBBUEUPEXCG-YUMQZZPRSA-N 0 0 165.240 1.488 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccnn1C 307206842 345890633 /nfs/dbraw/zinc/89/06/33/345890633.db2.gz LREIBBUEUPEXCG-HTQZYQBOSA-N 0 0 165.240 1.488 10 0 ADAERN C=CC(=O)N[C@@H]1CCC[C@H]2C[C@H]21 307207203 345890664 /nfs/dbraw/zinc/89/06/64/345890664.db2.gz MBYFHNIVNSTGLA-DJLDLDEBSA-N 0 0 165.236 1.477 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccnn1C 307206844 345890691 /nfs/dbraw/zinc/89/06/91/345890691.db2.gz LREIBBUEUPEXCG-SFYZADRCSA-N 0 0 165.240 1.488 10 0 ADAERN CC(F)(F)C(=O)Nc1c[nH]cn1 307206943 345890837 /nfs/dbraw/zinc/89/08/37/345890837.db2.gz HZBDJILGNIEPGY-UHFFFAOYSA-N 0 0 175.138 1.003 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccnn1C 307206843 345890845 /nfs/dbraw/zinc/89/08/45/345890845.db2.gz LREIBBUEUPEXCG-JGVFFNPUSA-N 0 0 165.240 1.488 10 0 ADAERN C[C@@H]1CCN(c2ncc[nH]2)CCS1 307206729 345890853 /nfs/dbraw/zinc/89/08/53/345890853.db2.gz ISJMDWIYPVTEGM-MRVPVSSYSA-N 0 0 197.307 1.742 10 0 ADAERN CCN1C(=O)CN[C@]1(C)CC(C)C 307206944 345890864 /nfs/dbraw/zinc/89/08/64/345890864.db2.gz HZDIQLUMXNEOEF-JTQLQIEISA-N 0 0 184.283 1.200 10 0 ADAERN C[C@@H]1C[C@@H](n2cc[nH]c2=O)CS1 307207557 345891099 /nfs/dbraw/zinc/89/10/99/345891099.db2.gz JLBZJSKAUDTOGG-RNFRBKRXSA-N 0 0 184.264 1.243 10 0 ADAERN C[C@H]1C[C@@H](n2cc[nH]c2=O)CS1 307207551 345891285 /nfs/dbraw/zinc/89/12/85/345891285.db2.gz JLBZJSKAUDTOGG-NKWVEPMBSA-N 0 0 184.264 1.243 10 0 ADAERN Cc1ccnc(N[C@H](C)C(F)F)n1 307207635 345891361 /nfs/dbraw/zinc/89/13/61/345891361.db2.gz JMJAJHAJWPUPEK-ZCFIWIBFSA-N 0 0 187.193 1.851 10 0 ADAERN C[C@H]1C[C@H](n2cc[nH]c2=O)CS1 307207545 345891356 /nfs/dbraw/zinc/89/13/56/345891356.db2.gz JLBZJSKAUDTOGG-BQBZGAKWSA-N 0 0 184.264 1.243 10 0 ADAERN Cc1cc(C(=O)C2(N)CC2)sn1 307207800 345891372 /nfs/dbraw/zinc/89/13/72/345891372.db2.gz IWMGOUAUAFODED-UHFFFAOYSA-N 0 0 182.248 1.126 10 0 ADAERN C[C@@H]1C[C@H](n2cc[nH]c2=O)CS1 307207562 345891381 /nfs/dbraw/zinc/89/13/81/345891381.db2.gz JLBZJSKAUDTOGG-RQJHMYQMSA-N 0 0 184.264 1.243 10 0 ADAERN Cc1ccnc(N[C@@H](C)C(F)F)n1 307207630 345891452 /nfs/dbraw/zinc/89/14/52/345891452.db2.gz JMJAJHAJWPUPEK-LURJTMIESA-N 0 0 187.193 1.851 10 0 ADAERN c1cncc(OCc2cnns2)c1 307208580 345891817 /nfs/dbraw/zinc/89/18/17/345891817.db2.gz OKYHKYXOZOFMKR-UHFFFAOYSA-N 0 0 193.231 1.512 10 0 ADAERN CC[C@H](F)CN1C[C@H](C)O[C@@H](C)C1 307208104 345891839 /nfs/dbraw/zinc/89/18/39/345891839.db2.gz NSNIAIIWUJHPIR-GUBZILKMSA-N 0 0 189.274 1.844 10 0 ADAERN CNc1nnc(SC2CC2)s1 307286309 345948177 /nfs/dbraw/zinc/94/81/77/345948177.db2.gz QPOWKWFKHOQECO-UHFFFAOYSA-N 0 0 187.293 1.834 10 0 ADAERN C[C@@H]1CN(C2=NC(=O)CS2)C[C@@H]1C 307208518 345891996 /nfs/dbraw/zinc/89/19/96/345891996.db2.gz OECGYDYVCLGIID-KNVOCYPGSA-N 0 0 198.291 1.941 10 0 ADAERN C[C@@H]1CN(C2=NC(=O)CS2)C[C@H]1C 307208519 345892017 /nfs/dbraw/zinc/89/20/17/345892017.db2.gz OECGYDYVCLGIID-RNFRBKRXSA-N 0 0 198.291 1.941 10 0 ADAERN C1=CC[N@H+](Cc2ccc[nH]2)CC1 307208034 345892043 /nfs/dbraw/zinc/89/20/43/345892043.db2.gz IZIWITWRYOJIAE-UHFFFAOYSA-N 0 0 162.236 1.777 10 0 ADAERN CC[C@H](F)CN1C[C@@H](C)O[C@H](C)C1 307208102 345892053 /nfs/dbraw/zinc/89/20/53/345892053.db2.gz NSNIAIIWUJHPIR-BBBLOLIVSA-N 0 0 189.274 1.844 10 0 ADAERN OC[C@H]1C[C@@H]1Nc1ncccc1Cl 307208110 345892073 /nfs/dbraw/zinc/89/20/73/345892073.db2.gz NSUQMVNJLLEDRM-SVRRBLITSA-N 0 0 198.653 1.528 10 0 ADAERN C[C@@H](O)CNc1csc(Cl)n1 307208212 345892096 /nfs/dbraw/zinc/89/20/96/345892096.db2.gz NYDDFYOUMNKDSM-SCSAIBSYSA-N 0 0 192.671 1.589 10 0 ADAERN O=c1cc(-c2cscn2)nc[nH]1 307208153 345892180 /nfs/dbraw/zinc/89/21/80/345892180.db2.gz NVONXYJADNYLNE-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN OC[C@@H]1C[C@@H]1Nc1ncccc1Cl 307208112 345892198 /nfs/dbraw/zinc/89/21/98/345892198.db2.gz NSUQMVNJLLEDRM-XPUUQOCRSA-N 0 0 198.653 1.528 10 0 ADAERN NNCc1coc(Br)c1 307208357 345892243 /nfs/dbraw/zinc/89/22/43/345892243.db2.gz JITAHAZWOJGNIK-UHFFFAOYSA-N 0 0 191.028 1.005 10 0 ADAERN C[C@H]1CN(C2=NC(=O)CS2)C[C@@H]1C 307208517 345892246 /nfs/dbraw/zinc/89/22/46/345892246.db2.gz OECGYDYVCLGIID-BQBZGAKWSA-N 0 0 198.291 1.941 10 0 ADAERN CN(c1cnc(Cl)cn1)C1CC1 307209059 345892566 /nfs/dbraw/zinc/89/25/66/345892566.db2.gz KWABMKVAUCIUHY-UHFFFAOYSA-N 0 0 183.642 1.729 10 0 ADAERN Cc1cnn(C[C@H]2CCCC[C@H]2O)c1 307208911 345892568 /nfs/dbraw/zinc/89/25/68/345892568.db2.gz OSEXITJWZUWAPT-GHMZBOCLSA-N 0 0 194.278 1.743 10 0 ADAERN C[C@@H]1CCC[C@H]1c1nc(O)cc(=O)[nH]1 307209419 345892575 /nfs/dbraw/zinc/89/25/75/345892575.db2.gz KFIZLQHNLKEJRM-RNFRBKRXSA-N 0 0 194.234 1.791 10 0 ADAERN Cc1cnn(C[C@@H]2CCCC[C@@H]2O)c1 307208913 345892601 /nfs/dbraw/zinc/89/26/01/345892601.db2.gz OSEXITJWZUWAPT-QWRGUYRKSA-N 0 0 194.278 1.743 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1nc(O)cc(=O)[nH]1 307209421 345892633 /nfs/dbraw/zinc/89/26/33/345892633.db2.gz KFIZLQHNLKEJRM-RQJHMYQMSA-N 0 0 194.234 1.791 10 0 ADAERN C[C@H]1CCC[C@H]1c1nc(O)cc(=O)[nH]1 307209418 345892614 /nfs/dbraw/zinc/89/26/14/345892614.db2.gz KFIZLQHNLKEJRM-NKWVEPMBSA-N 0 0 194.234 1.791 10 0 ADAERN Cc1cnn(C[C@@H]2CCCC[C@H]2O)c1 307208914 345892696 /nfs/dbraw/zinc/89/26/96/345892696.db2.gz OSEXITJWZUWAPT-WDEREUQCSA-N 0 0 194.278 1.743 10 0 ADAERN Cc1cnn(C[C@H]2CCCC[C@@H]2O)c1 307208912 345892719 /nfs/dbraw/zinc/89/27/19/345892719.db2.gz OSEXITJWZUWAPT-MNOVXSKESA-N 0 0 194.278 1.743 10 0 ADAERN CC1(NC(=O)Nc2ccco2)CC1 307208813 345892751 /nfs/dbraw/zinc/89/27/51/345892751.db2.gz JVELBAGTQXTULP-UHFFFAOYSA-N 0 0 180.207 1.954 10 0 ADAERN Cc1cocc1-c1nccc(N)n1 307209135 345892844 /nfs/dbraw/zinc/89/28/44/345892844.db2.gz ALFIFAWZCRXLRN-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC=CC(=O)Nc1ccc(=O)[nH]c1 307209356 345892928 /nfs/dbraw/zinc/89/29/28/345892928.db2.gz KCPKGJKZKYOYNL-NSCUHMNNSA-N 0 0 178.191 1.302 10 0 ADAERN C[C@H]1CCC[C@@H]1c1nc(O)cc(=O)[nH]1 307209416 345892934 /nfs/dbraw/zinc/89/29/34/345892934.db2.gz KFIZLQHNLKEJRM-BQBZGAKWSA-N 0 0 194.234 1.791 10 0 ADAERN Nc1cc(O)c2scnc2c1 307210570 345893214 /nfs/dbraw/zinc/89/32/14/345893214.db2.gz MMGQNGMXISIJPQ-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN C/C=C(/C)CNc1ccn(C)n1 307209874 345893220 /nfs/dbraw/zinc/89/32/20/345893220.db2.gz PVRHJGMWEAMTMQ-YWEYNIOJSA-N 0 0 165.240 1.798 10 0 ADAERN CC[C@]1(C)C[C@H]1N1CCC(=O)C1 307210051 345893233 /nfs/dbraw/zinc/89/32/33/345893233.db2.gz LWFYGFMGDXFHPT-NXEZZACHSA-N 0 0 167.252 1.450 10 0 ADAERN Cc1cc(-c2c[nH]c(CO)n2)cs1 307210499 345893270 /nfs/dbraw/zinc/89/32/70/345893270.db2.gz QWSBQCPASIJYRK-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN CC[C@]1(C)C[C@@H]1N1CCC(=O)C1 307210053 345893301 /nfs/dbraw/zinc/89/33/01/345893301.db2.gz LWFYGFMGDXFHPT-VHSXEESVSA-N 0 0 167.252 1.450 10 0 ADAERN NC1(c2nnc(C(F)F)s2)CC1 307210336 345893312 /nfs/dbraw/zinc/89/33/12/345893312.db2.gz QUPMLIMFTQOMLB-UHFFFAOYSA-N 0 0 191.206 1.424 10 0 ADAERN FC(F)C(F)(F)Cn1cncn1 307210493 345893326 /nfs/dbraw/zinc/89/33/26/345893326.db2.gz MLECEXYOSALEIW-UHFFFAOYSA-N 0 0 183.108 1.179 10 0 ADAERN C=CC(=O)N1C(=O)C[C@@H]2CCCC[C@H]21 307209857 345893334 /nfs/dbraw/zinc/89/33/34/345893334.db2.gz PUGPKVAELNKGCJ-DTWKUNHWSA-N 0 0 193.246 1.490 10 0 ADAERN CC[C@@H]1CC[N@@H+]1Cc1ccnc(N)c1 307210536 345893391 /nfs/dbraw/zinc/89/33/91/345893391.db2.gz RBGVYYGGAYBZOG-SNVBAGLBSA-N 0 0 191.278 1.648 10 0 ADAERN CC[C@@]1(C)C[C@@H]1N1CCC(=O)C1 307210052 345893400 /nfs/dbraw/zinc/89/34/00/345893400.db2.gz LWFYGFMGDXFHPT-UWVGGRQHSA-N 0 0 167.252 1.450 10 0 ADAERN C=CC(=O)N1C(=O)C[C@@H]2CCCC[C@@H]21 307209858 345893406 /nfs/dbraw/zinc/89/34/06/345893406.db2.gz PUGPKVAELNKGCJ-IUCAKERBSA-N 0 0 193.246 1.490 10 0 ADAERN Cc1cc([C@H](CO)NO)ccc1F 307210304 345893410 /nfs/dbraw/zinc/89/34/10/345893410.db2.gz QSBHBVRQTHZOLG-VIFPVBQESA-N 0 0 185.198 1.146 10 0 ADAERN CC[C@H]1CC[N@@H+]1Cc1ccnc(N)c1 307210535 345893413 /nfs/dbraw/zinc/89/34/13/345893413.db2.gz RBGVYYGGAYBZOG-JTQLQIEISA-N 0 0 191.278 1.648 10 0 ADAERN Oc1ccc(-c2ccns2)nc1 307210100 345893482 /nfs/dbraw/zinc/89/34/82/345893482.db2.gz LZULMTQPGQMVSK-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN CC[C@@]1(C)C[C@H]1N1CCC(=O)C1 307210054 345893493 /nfs/dbraw/zinc/89/34/93/345893493.db2.gz LWFYGFMGDXFHPT-ZJUUUORDSA-N 0 0 167.252 1.450 10 0 ADAERN C=CC(=O)N1C(=O)C[C@H]2CCCC[C@@H]21 307209856 345893498 /nfs/dbraw/zinc/89/34/98/345893498.db2.gz PUGPKVAELNKGCJ-BDAKNGLRSA-N 0 0 193.246 1.490 10 0 ADAERN CNC(=O)C12CCC(CO)(CC1)CC2 307210203 345893501 /nfs/dbraw/zinc/89/35/01/345893501.db2.gz MCTBYFWXLHGJEZ-UHFFFAOYSA-N 0 0 197.278 1.065 10 0 in-vitro ADAERN Cc1nnc(NCCCF)s1 307304893 345958849 /nfs/dbraw/zinc/95/88/49/345958849.db2.gz WXKNLAUZFREQNZ-UHFFFAOYSA-N 0 0 175.232 1.618 10 0 ADAERN CNC(=O)CCc1ccc(C)o1 307210841 345893858 /nfs/dbraw/zinc/89/38/58/345893858.db2.gz RPPOIWGONULKBZ-UHFFFAOYSA-N 0 0 167.208 1.267 10 0 ADAERN COc1ccncc1[C@H]1CCCC1=O 307211399 345893939 /nfs/dbraw/zinc/89/39/39/345893939.db2.gz NSCOPFYHDVCHML-MRVPVSSYSA-N 0 0 191.230 1.927 10 0 ADAERN COc1ccncc1[C@@H]1CCCC1=O 307211400 345893955 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ADAERN C[C@@H]1C[C@@H](Nc2c[nH]cn2)CCO1 307221200 345900832 /nfs/dbraw/zinc/90/08/32/345900832.db2.gz POLZJLUIFIPEIY-SFYZADRCSA-N 0 0 181.239 1.389 10 0 ADAERN COC1([C@@H](N)C(F)F)CCCCC1 307221338 345901039 /nfs/dbraw/zinc/90/10/39/345901039.db2.gz XWSSNROGYXDZFL-ZETCQYMHSA-N 0 0 193.237 1.928 10 0 ADAERN COC1([C@H](N)C(F)F)CCCCC1 307221337 345901054 /nfs/dbraw/zinc/90/10/54/345901054.db2.gz XWSSNROGYXDZFL-SSDOTTSWSA-N 0 0 193.237 1.928 10 0 ADAERN Cc1cc(N[C@H]2CCSC2)n(C)n1 307222812 345901515 /nfs/dbraw/zinc/90/15/15/345901515.db2.gz RHFKXYCAILONIO-QMMMGPOBSA-N 0 0 197.307 1.646 10 0 ADAERN Cc1ccc(F)cc1N[C@@H](C)CO 307222182 345901519 /nfs/dbraw/zinc/90/15/19/345901519.db2.gz JIRHMLHUNJCGPQ-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN Cc1cc(N[C@@H]2CCSC2)n(C)n1 307222811 345901624 /nfs/dbraw/zinc/90/16/24/345901624.db2.gz RHFKXYCAILONIO-MRVPVSSYSA-N 0 0 197.307 1.646 10 0 ADAERN Cc1ccc(F)cc1N[C@H](C)CO 307222179 345901643 /nfs/dbraw/zinc/90/16/43/345901643.db2.gz JIRHMLHUNJCGPQ-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN CC1(C)CC2(CCC(=O)NC2)C1 307223138 345901667 /nfs/dbraw/zinc/90/16/67/345901667.db2.gz JXBYIIABPQGMJU-UHFFFAOYSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@]1(C2N=NC(=S)N2)C[C@H]1F 307224078 345902231 /nfs/dbraw/zinc/90/22/31/345902231.db2.gz SACHTFYCGKIRNY-CVYQJGLWSA-N 0 0 173.216 1.093 10 0 ADAERN CC1(NCc2cnsn2)CC1 307223225 345902248 /nfs/dbraw/zinc/90/22/48/345902248.db2.gz RNIBKBSQYKCONO-UHFFFAOYSA-N 0 0 169.253 1.180 10 0 ADAERN CC(C)=CC(=O)N1CC[C@@](C)(CO)C1 307224151 345902292 /nfs/dbraw/zinc/90/22/92/345902292.db2.gz SIXIHINXMKCPLM-LLVKDONJSA-N 0 0 197.278 1.184 10 0 ADAERN C[C@@]1(C2N=NC(=S)N2)C[C@H]1F 307224076 345902348 /nfs/dbraw/zinc/90/23/48/345902348.db2.gz SACHTFYCGKIRNY-AWFVSMACSA-N 0 0 173.216 1.093 10 0 ADAERN C[C@@]1(C2N=NC(=S)N2)C[C@@H]1F 307224077 345902417 /nfs/dbraw/zinc/90/24/17/345902417.db2.gz SACHTFYCGKIRNY-BBIVZNJYSA-N 0 0 173.216 1.093 10 0 ADAERN C[C@]1(C2N=NC(=S)N2)C[C@@H]1F 307224079 345902427 /nfs/dbraw/zinc/90/24/27/345902427.db2.gz SACHTFYCGKIRNY-DZSWIPIPSA-N 0 0 173.216 1.093 10 0 ADAERN Cc1ccnc(N[C@H]2C[C@@H]2CO)c1 307224750 345902780 /nfs/dbraw/zinc/90/27/80/345902780.db2.gz SXSGPNCYEATRMA-BDAKNGLRSA-N 0 0 178.235 1.183 10 0 ADAERN C[C@@]1(O)CCC[C@H]1NCC(F)(F)F 307224634 345902812 /nfs/dbraw/zinc/90/28/12/345902812.db2.gz BRMGKSIIJLEPQJ-RNFRBKRXSA-N 0 0 197.200 1.442 10 0 ADAERN Cc1ccnc(N[C@H]2C[C@H]2CO)c1 307224752 345902861 /nfs/dbraw/zinc/90/28/61/345902861.db2.gz SXSGPNCYEATRMA-IUCAKERBSA-N 0 0 178.235 1.183 10 0 ADAERN CCN(OC)c1ccc(C)c(N)c1 307224323 345902882 /nfs/dbraw/zinc/90/28/82/345902882.db2.gz AYGBOOZDCONSKD-UHFFFAOYSA-N 0 0 180.251 1.965 10 0 ADAERN C[C@@]1(O)CCC[C@@H]1NCC(F)(F)F 307224633 345902910 /nfs/dbraw/zinc/90/29/10/345902910.db2.gz BRMGKSIIJLEPQJ-NKWVEPMBSA-N 0 0 197.200 1.442 10 0 ADAERN Cc1ccnc(N[C@@H]2C[C@@H]2CO)c1 307224753 345902942 /nfs/dbraw/zinc/90/29/42/345902942.db2.gz SXSGPNCYEATRMA-RKDXNWHRSA-N 0 0 178.235 1.183 10 0 ADAERN C[C@]1(O)CCC[C@H]1NCC(F)(F)F 307224635 345902965 /nfs/dbraw/zinc/90/29/65/345902965.db2.gz BRMGKSIIJLEPQJ-RQJHMYQMSA-N 0 0 197.200 1.442 10 0 ADAERN Cc1ccnc(N[C@@H]2C[C@H]2CO)c1 307224751 345902972 /nfs/dbraw/zinc/90/29/72/345902972.db2.gz SXSGPNCYEATRMA-DTWKUNHWSA-N 0 0 178.235 1.183 10 0 ADAERN C[C@]1(O)CCC[C@@H]1NCC(F)(F)F 307224632 345903001 /nfs/dbraw/zinc/90/30/01/345903001.db2.gz BRMGKSIIJLEPQJ-BQBZGAKWSA-N 0 0 197.200 1.442 10 0 ADAERN CC(C)=CC(=O)N1CC[C@](C)(CO)C1 307224261 345903020 /nfs/dbraw/zinc/90/30/20/345903020.db2.gz SIXIHINXMKCPLM-NSHDSACASA-N 0 0 197.278 1.184 10 0 ADAERN Cc1cc(NCCCF)ncn1 307224350 345903030 /nfs/dbraw/zinc/90/30/30/345903030.db2.gz BBZQIIOEZCZWFA-UHFFFAOYSA-N 0 0 169.203 1.557 10 0 ADAERN CN[C@H](c1ccsn1)[C@@H]1CCCO1 307225939 345903375 /nfs/dbraw/zinc/90/33/75/345903375.db2.gz VCDLBIWZPQLZOD-DTWKUNHWSA-N 0 0 198.291 1.583 10 0 ADAERN CN[C@@H](c1ccsn1)[C@H]1CCCO1 307225938 345903441 /nfs/dbraw/zinc/90/34/41/345903441.db2.gz VCDLBIWZPQLZOD-BDAKNGLRSA-N 0 0 198.291 1.583 10 0 ADAERN CC[S@](=O)Nc1ccc(C)c(N)c1 307225180 345903548 /nfs/dbraw/zinc/90/35/48/345903548.db2.gz CPUDPAAIPZYEMH-ZDUSSCGKSA-N 0 0 198.291 1.673 10 0 ADAERN CN[C@@H](c1ccsn1)[C@@H]1CCCO1 307225940 345903589 /nfs/dbraw/zinc/90/35/89/345903589.db2.gz VCDLBIWZPQLZOD-IUCAKERBSA-N 0 0 198.291 1.583 10 0 ADAERN CC[S@@](=O)Nc1ccc(C)c(N)c1 307225179 345903621 /nfs/dbraw/zinc/90/36/21/345903621.db2.gz CPUDPAAIPZYEMH-CYBMUJFWSA-N 0 0 198.291 1.673 10 0 ADAERN CN[C@H](c1ccsn1)[C@H]1CCCO1 307225941 345903628 /nfs/dbraw/zinc/90/36/28/345903628.db2.gz VCDLBIWZPQLZOD-RKDXNWHRSA-N 0 0 198.291 1.583 10 0 ADAERN CC(C)NC(=O)N[C@H]1C[C@@H]1C(F)F 307226595 345903965 /nfs/dbraw/zinc/90/39/65/345903965.db2.gz VRJCTSKUXFBPBG-WDSKDSINSA-N 0 0 192.209 1.348 10 0 ADAERN COCSc1nc(C)c(C)[nH]1 307226383 345903972 /nfs/dbraw/zinc/90/39/72/345903972.db2.gz FSZFLXXQZCFDLW-UHFFFAOYSA-N 0 0 172.253 1.723 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1nnc(CO)s1 307226251 345903994 /nfs/dbraw/zinc/90/39/94/345903994.db2.gz VMJYLLCPRUJYIA-WDSKDSINSA-N 0 0 199.279 1.241 10 0 ADAERN C[C@H]1C(=O)NC[C@H]1CC(C)(C)C 307226727 345904002 /nfs/dbraw/zinc/90/40/02/345904002.db2.gz BVMXKMOUDPXCLJ-HTQZYQBOSA-N 0 0 169.268 1.805 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1nnc(CO)s1 307226249 345904065 /nfs/dbraw/zinc/90/40/65/345904065.db2.gz VMJYLLCPRUJYIA-PHDIDXHHSA-N 0 0 199.279 1.241 10 0 ADAERN Cc1cccc([C@@H](CO)NO)c1 307226159 345904081 /nfs/dbraw/zinc/90/40/81/345904081.db2.gz APWAWTPEWMQCRH-SECBINFHSA-N 0 0 167.208 1.007 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1CC(C)(C)C 307226730 345904163 /nfs/dbraw/zinc/90/41/63/345904163.db2.gz BVMXKMOUDPXCLJ-YUMQZZPRSA-N 0 0 169.268 1.805 10 0 ADAERN Cn1cnc(C(=O)c2ccsn2)c1 307226691 345904174 /nfs/dbraw/zinc/90/41/74/345904174.db2.gz BQEYJFIWWIHICE-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CSCCC(=O)Nc1ccn(C)n1 307226927 345904204 /nfs/dbraw/zinc/90/42/04/345904204.db2.gz VYUKCPGZKPBYEB-UHFFFAOYSA-N 0 0 199.279 1.112 10 0 ADAERN C[C@H]1CC[C@H]1Nc1nnc(CO)s1 307226248 345904209 /nfs/dbraw/zinc/90/42/09/345904209.db2.gz VMJYLLCPRUJYIA-NTSWFWBYSA-N 0 0 199.279 1.241 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1nnc(CO)s1 307226250 345904210 /nfs/dbraw/zinc/90/42/10/345904210.db2.gz VMJYLLCPRUJYIA-RITPCOANSA-N 0 0 199.279 1.241 10 0 ADAERN O=C(CC1CC1)Nc1cc(Cl)[nH]n1 307226628 345904233 /nfs/dbraw/zinc/90/42/33/345904233.db2.gz VTQKIWNAYODHIE-UHFFFAOYSA-N 0 0 199.641 1.802 10 0 ADAERN C[C@H]1C(=O)NC[C@@H]1CC(C)(C)C 307226729 345904239 /nfs/dbraw/zinc/90/42/39/345904239.db2.gz BVMXKMOUDPXCLJ-SFYZADRCSA-N 0 0 169.268 1.805 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1CC(C)(C)C 307226728 345904240 /nfs/dbraw/zinc/90/42/40/345904240.db2.gz BVMXKMOUDPXCLJ-JGVFFNPUSA-N 0 0 169.268 1.805 10 0 ADAERN O=C(C1CCCCCC1)N1CC1 307226913 345904261 /nfs/dbraw/zinc/90/42/61/345904261.db2.gz VXJMKEZVQPCILO-UHFFFAOYSA-N 0 0 167.252 1.799 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]1(C)C1CC1 307227050 345904536 /nfs/dbraw/zinc/90/45/36/345904536.db2.gz CLCISHORGFKUQF-MHYGZLNHSA-N 0 0 167.252 1.557 10 0 ADAERN CC(=O)N[C@H]1C[C@H]1c1cccnc1 307226986 345904537 /nfs/dbraw/zinc/90/45/37/345904537.db2.gz WFHQGLJXGSUKPR-UWVGGRQHSA-N 0 0 176.219 1.074 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H]1c1cccnc1 307226985 345904585 /nfs/dbraw/zinc/90/45/85/345904585.db2.gz WFHQGLJXGSUKPR-NXEZZACHSA-N 0 0 176.219 1.074 10 0 ADAERN CNC(=S)NC1CCC(F)CC1 307226979 345904594 /nfs/dbraw/zinc/90/45/94/345904594.db2.gz WEMHYXHXNQMJBZ-UHFFFAOYSA-N 0 0 190.287 1.361 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)c2cscn2)O1 307227543 345904605 /nfs/dbraw/zinc/90/46/05/345904605.db2.gz WSWXDWYEUGBLOR-SVRRBLITSA-N 0 0 197.259 1.893 10 0 ADAERN COC1CCN(c2ncc[nH]2)CC1 307227252 345904610 /nfs/dbraw/zinc/90/46/10/345904610.db2.gz WJMLWUSSIKEZDA-UHFFFAOYSA-N 0 0 181.239 1.025 10 0 ADAERN CC(=O)N[C@@H]1C[C@H]1c1cccnc1 307226987 345904627 /nfs/dbraw/zinc/90/46/27/345904627.db2.gz WFHQGLJXGSUKPR-VHSXEESVSA-N 0 0 176.219 1.074 10 0 ADAERN Cn1cnc(-c2ccncc2N)c1 307227385 345904666 /nfs/dbraw/zinc/90/46/66/345904666.db2.gz DLDMFJHFVMHOFU-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN C[C@@H](CO)Sc1ccccc1O 307227095 345904676 /nfs/dbraw/zinc/90/46/76/345904676.db2.gz CTWUKSLAPIDHEG-ZETCQYMHSA-N 0 0 184.260 1.865 10 0 ADAERN C=C(Cl)C(=O)NCC(C)C 307227056 345904690 /nfs/dbraw/zinc/90/46/90/345904690.db2.gz CNHKRMCUJZDRMS-UHFFFAOYSA-N 0 0 161.632 1.511 10 0 ADAERN C[C@@H](C1CCCC1)n1cnc(N)n1 307227524 345904716 /nfs/dbraw/zinc/90/47/16/345904716.db2.gz FCQVGDZQFSNBRG-ZETCQYMHSA-N 0 0 180.255 1.612 10 0 ADAERN CNc1cnc(-c2ccoc2)cn1 307227029 345904721 /nfs/dbraw/zinc/90/47/21/345904721.db2.gz CHVGJDXNUHPGGN-UHFFFAOYSA-N 0 0 175.191 1.778 10 0 ADAERN C[C@H]1CC[C@H](C(=O)c2cscn2)O1 307227542 345904724 /nfs/dbraw/zinc/90/47/24/345904724.db2.gz WSWXDWYEUGBLOR-POYBYMJQSA-N 0 0 197.259 1.893 10 0 ADAERN C[C@H](CO)Sc1ccccc1O 307227094 345904726 /nfs/dbraw/zinc/90/47/26/345904726.db2.gz CTWUKSLAPIDHEG-SSDOTTSWSA-N 0 0 184.260 1.865 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)c2cscn2)O1 307227541 345904739 /nfs/dbraw/zinc/90/47/39/345904739.db2.gz WSWXDWYEUGBLOR-HTRCEHHLSA-N 0 0 197.259 1.893 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@]1(C)C1CC1 307227049 345904760 /nfs/dbraw/zinc/90/47/60/345904760.db2.gz CLCISHORGFKUQF-MATHAZKKSA-N 0 0 167.252 1.557 10 0 ADAERN Cc1cn[nH]c1C[NH2+][C@@H]1CC1(C)C 307227592 345904767 /nfs/dbraw/zinc/90/47/67/345904767.db2.gz WXVYFNQEUZJVEP-SECBINFHSA-N 0 0 179.267 1.606 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)c2cscn2)O1 307227544 345904792 /nfs/dbraw/zinc/90/47/92/345904792.db2.gz WSWXDWYEUGBLOR-XPUUQOCRSA-N 0 0 197.259 1.893 10 0 ADAERN Cc1cocc1-c1n[nH]c(=O)s1 307227565 345904830 /nfs/dbraw/zinc/90/48/30/345904830.db2.gz WVLZJNVZZGFSJE-UHFFFAOYSA-N 0 0 182.204 1.400 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@]1(C)C1CC1 307227047 345904839 /nfs/dbraw/zinc/90/48/39/345904839.db2.gz CLCISHORGFKUQF-BYULHYEWSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H](C1CCCC1)n1cnc(N)n1 307227523 345904852 /nfs/dbraw/zinc/90/48/52/345904852.db2.gz FCQVGDZQFSNBRG-SSDOTTSWSA-N 0 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HMVHBUVMZLMVBQ-UHFFFAOYSA-N 0 0 194.263 1.403 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1CCO[C@@H]1C 307228395 345905412 /nfs/dbraw/zinc/90/54/12/345905412.db2.gz HZCYOWQEGVBHNQ-RNFRBKRXSA-N 0 0 189.642 1.033 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1CCO[C@H]1C 307228393 345905427 /nfs/dbraw/zinc/90/54/27/345905427.db2.gz HZCYOWQEGVBHNQ-BQBZGAKWSA-N 0 0 189.642 1.033 10 0 ADAERN Cc1csc(Cn2cc[nH]c2=O)c1 307228135 345905444 /nfs/dbraw/zinc/90/54/44/345905444.db2.gz XPPJRBGILWCGED-UHFFFAOYSA-N 0 0 194.259 1.595 10 0 ADAERN Cc1ccncc1C(=O)c1ccc[nH]1 307227776 345905478 /nfs/dbraw/zinc/90/54/78/345905478.db2.gz FSURUTXGLRRTTI-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN CC(=O)C1(Cc2csnn2)CC1 307227791 345905514 /nfs/dbraw/zinc/90/55/14/345905514.db2.gz FURLXCVHONUZEQ-UHFFFAOYSA-N 0 0 182.248 1.450 10 0 ADAERN CN(C)c1ccc2[nH]c(=S)[nH]c2n1 307228246 345905534 /nfs/dbraw/zinc/90/55/34/345905534.db2.gz HLABNNPCWPZWIU-UHFFFAOYSA-N 0 0 194.263 1.313 10 0 ADAERN C[C@@H]1C(=O)NC(C)(C)C12CSC2 307228583 345905786 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183.251 1.032 10 0 ADAERN Cc1cc(C)c(CNC(N)=S)cn1 307229298 345906309 /nfs/dbraw/zinc/90/63/09/345906309.db2.gz LWSJKNHIUSWQMC-UHFFFAOYSA-N 0 0 195.291 1.032 10 0 ADAERN Cc1nc(N(C)C)ccc1C(N)=S 307229141 345906335 /nfs/dbraw/zinc/90/63/35/345906335.db2.gz KZCGIVIJYCNNID-UHFFFAOYSA-N 0 0 195.291 1.090 10 0 ADAERN CC(C)[C@@H](NN)c1ccns1 307229354 345906349 /nfs/dbraw/zinc/90/63/49/345906349.db2.gz ZMSMZHMXHGCYBJ-SSDOTTSWSA-N 0 0 171.269 1.304 10 0 ADAERN O[C@H]1CC[C@H](c2ccc[nH]2)C1 307229574 345906373 /nfs/dbraw/zinc/90/63/73/345906373.db2.gz ZXSWIMJBUALTFP-YUMQZZPRSA-N 0 0 151.209 1.643 10 0 ADAERN CC(C)[C@H](NN)c1ccns1 307229355 345906416 /nfs/dbraw/zinc/90/64/16/345906416.db2.gz ZMSMZHMXHGCYBJ-ZETCQYMHSA-N 0 0 171.269 1.304 10 0 ADAERN O[C@@H]1CC[C@H](c2ccc[nH]2)C1 307229572 345906421 /nfs/dbraw/zinc/90/64/21/345906421.db2.gz ZXSWIMJBUALTFP-JGVFFNPUSA-N 0 0 151.209 1.643 10 0 ADAERN C[C@@H]1C[C@]2(C[C@@H](O)CCO2)[C@@H](C)O1 307229779 345906467 /nfs/dbraw/zinc/90/64/67/345906467.db2.gz 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1.751 10 0 ADAERN CCC1(NC(N)=S)CCCC1 307238043 345914012 /nfs/dbraw/zinc/91/40/12/345914012.db2.gz GZQVIMPCNUNNJE-UHFFFAOYSA-N 0 0 172.297 1.542 10 0 ADAERN O=CN1C[C@H]2CCCC[C@@H]2C1 307238321 345914073 /nfs/dbraw/zinc/91/40/73/345914073.db2.gz ZBUZLQFBJLHZJJ-RKDXNWHRSA-N 0 0 153.225 1.265 10 0 ADAERN CCC1(NC(=O)[C@H](C)[NH3+])CCCC1 307238580 345914277 /nfs/dbraw/zinc/91/42/77/345914277.db2.gz HFBFUORTOQDMTK-QMMMGPOBSA-N 0 0 184.283 1.173 10 0 ADAERN C=C(Cl)C(=O)N[C@H]1CCCOC1 307238731 345914290 /nfs/dbraw/zinc/91/42/90/345914290.db2.gz ZMMBEDPHKOCBOW-ZETCQYMHSA-N 0 0 189.642 1.034 10 0 ADAERN C=C(Cl)C(=O)N[C@@H]1CCCOC1 307238729 345914315 /nfs/dbraw/zinc/91/43/15/345914315.db2.gz ZMMBEDPHKOCBOW-SSDOTTSWSA-N 0 0 189.642 1.034 10 0 ADAERN O=CN1C[C@@H]2CCCC[C@H]2C1 307238318 345914384 /nfs/dbraw/zinc/91/43/84/345914384.db2.gz ZBUZLQFBJLHZJJ-IUCAKERBSA-N 0 0 153.225 1.265 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)NC1CC=CC1 307238871 345914559 /nfs/dbraw/zinc/91/45/59/345914559.db2.gz FTBXAPSBMVKBOG-VXNVDRBHSA-N 0 0 180.251 1.413 10 0 ADAERN C[C@@H]1CC[C@H](CNc2ncns2)O1 307238895 345914566 /nfs/dbraw/zinc/91/45/66/345914566.db2.gz FTZDSHGRTWZFSI-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN CCNC(=S)N[C@H]1C[C@@H]2C[C@@H]2C1 307239018 345914615 /nfs/dbraw/zinc/91/46/15/345914615.db2.gz FYDLTVWROXQQPV-RNLVFQAGSA-N 0 0 184.308 1.269 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCC[C@H]2C[C@H]21 307239447 345914622 /nfs/dbraw/zinc/91/46/22/345914622.db2.gz GOFOYOIQORWZBT-LPPWJCMGSA-N 0 0 179.263 1.867 10 0 ADAERN C[C@H]1CC[C@@H](CNc2ncns2)O1 307238891 345914667 /nfs/dbraw/zinc/91/46/67/345914667.db2.gz FTZDSHGRTWZFSI-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@@H]1CC[C@@H](CNc2ncns2)O1 307238896 345914669 /nfs/dbraw/zinc/91/46/69/345914669.db2.gz FTZDSHGRTWZFSI-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)c1cc(N)cs1 307239475 345914673 /nfs/dbraw/zinc/91/46/73/345914673.db2.gz HPUNRTLLGZZNJX-FSPLSTOPSA-N 0 0 196.275 1.469 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CCC[C@H]2C[C@H]21 307239448 345914760 /nfs/dbraw/zinc/91/47/60/345914760.db2.gz GOFOYOIQORWZBT-OBOPWGGJSA-N 0 0 179.263 1.867 10 0 ADAERN CC(F)(F)C(=O)Cc1cccnc1 307238864 345914817 /nfs/dbraw/zinc/91/48/17/345914817.db2.gz FSQOZRNNYDFCNL-UHFFFAOYSA-N 0 0 185.173 1.848 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cc(N)cs1 307239476 345914822 /nfs/dbraw/zinc/91/48/22/345914822.db2.gz HPUNRTLLGZZNJX-IYSWYEEDSA-N 0 0 196.275 1.469 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)c1cc(N)cs1 307239474 345914888 /nfs/dbraw/zinc/91/48/88/345914888.db2.gz HPUNRTLLGZZNJX-CAHLUQPWSA-N 0 0 196.275 1.469 10 0 ADAERN C[C@H]1CC[C@H](CNc2ncns2)O1 307238893 345914900 /nfs/dbraw/zinc/91/49/00/345914900.db2.gz FTZDSHGRTWZFSI-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN Cc1nc([C@H](N)c2cscn2)co1 307239631 345915155 /nfs/dbraw/zinc/91/51/55/345915155.db2.gz PTZNYVGQIGRXRZ-QMMMGPOBSA-N 0 0 195.247 1.488 10 0 ADAERN O=C1N[C@H](c2ccco2)[C@@H]1C1CC1 307240019 345915180 /nfs/dbraw/zinc/91/51/80/345915180.db2.gz HVDQDZJDKOZVOZ-DTWKUNHWSA-N 0 0 177.203 1.477 10 0 ADAERN O=C1N[C@H](c2ccco2)[C@H]1C1CC1 307240021 345915200 /nfs/dbraw/zinc/91/52/00/345915200.db2.gz HVDQDZJDKOZVOZ-RKDXNWHRSA-N 0 0 177.203 1.477 10 0 ADAERN C/C=C/CNc1cc(N)ncn1 307239505 345915203 /nfs/dbraw/zinc/91/52/03/345915203.db2.gz HSHLEEQSJCGTKS-NSCUHMNNSA-N 0 0 164.212 1.047 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(N)cs1 307239477 345915214 /nfs/dbraw/zinc/91/52/14/345915214.db2.gz HPUNRTLLGZZNJX-VDTYLAMSSA-N 0 0 196.275 1.469 10 0 ADAERN Cc1nc([C@@H](N)c2cscn2)co1 307239630 345915358 /nfs/dbraw/zinc/91/53/58/345915358.db2.gz PTZNYVGQIGRXRZ-MRVPVSSYSA-N 0 0 195.247 1.488 10 0 ADAERN O=C1N[C@@H](c2ccco2)[C@H]1C1CC1 307240018 345915373 /nfs/dbraw/zinc/91/53/73/345915373.db2.gz HVDQDZJDKOZVOZ-BDAKNGLRSA-N 0 0 177.203 1.477 10 0 ADAERN Cc1oncc1NCc1ccc[nH]1 307239619 345915396 /nfs/dbraw/zinc/91/53/96/345915396.db2.gz PSVMJQNQNZVHSR-UHFFFAOYSA-N 0 0 177.207 1.923 10 0 ADAERN O=C1N[C@@H](c2ccco2)[C@@H]1C1CC1 307240020 345915408 /nfs/dbraw/zinc/91/54/08/345915408.db2.gz HVDQDZJDKOZVOZ-IUCAKERBSA-N 0 0 177.203 1.477 10 0 ADAERN COC(=O)/C=C/c1ccncc1C 307241187 345915662 /nfs/dbraw/zinc/91/56/62/345915662.db2.gz IQPNNPRYBRHEFT-ONEGZZNKSA-N 0 0 177.203 1.576 10 0 ADAERN Nc1cnc(N2CCC3(CC3)C2)s1 307240623 345915737 /nfs/dbraw/zinc/91/57/37/345915737.db2.gz HEHHJJQZIQECBE-UHFFFAOYSA-N 0 0 195.291 1.716 10 0 ADAERN Cc1nn(C)cc1C(=O)[C@@H]1C[C@@H]1C 307240989 345915742 /nfs/dbraw/zinc/91/57/42/345915742.db2.gz QVAIPEDQEGCYMK-POYBYMJQSA-N 0 0 178.235 1.567 10 0 ADAERN Cc1nn(C)cc1C(=O)[C@H]1C[C@H]1C 307240990 345915764 /nfs/dbraw/zinc/91/57/64/345915764.db2.gz QVAIPEDQEGCYMK-SVRRBLITSA-N 0 0 178.235 1.567 10 0 ADAERN CCC1(Nc2nc(C)no2)CC1 307240392 345915812 /nfs/dbraw/zinc/91/58/12/345915812.db2.gz QENRNVKHRWVNHN-UHFFFAOYSA-N 0 0 167.212 1.733 10 0 ADAERN Cc1nn(C)cc1C(=O)[C@@H]1C[C@H]1C 307240987 345915938 /nfs/dbraw/zinc/91/59/38/345915938.db2.gz QVAIPEDQEGCYMK-HTRCEHHLSA-N 0 0 178.235 1.567 10 0 ADAERN Cc1nn(C)cc1C(=O)[C@H]1C[C@@H]1C 307240991 345916047 /nfs/dbraw/zinc/91/60/47/345916047.db2.gz QVAIPEDQEGCYMK-XPUUQOCRSA-N 0 0 178.235 1.567 10 0 ADAERN CCn1ccc(NC2CSC2)n1 307240676 345916052 /nfs/dbraw/zinc/91/60/52/345916052.db2.gz HFXZWGOHEDQCAI-UHFFFAOYSA-N 0 0 183.280 1.430 10 0 ADAERN C[C@H]1C(=O)NCC12CC(C)(C)C2 307241421 345916386 /nfs/dbraw/zinc/91/63/86/345916386.db2.gz HVKRGAFJFCXUEM-ZETCQYMHSA-N 0 0 167.252 1.559 10 0 ADAERN CN(c1ncc(N)cn1)C(C)(C)C 307241274 345916558 /nfs/dbraw/zinc/91/65/58/345916558.db2.gz REXOBPBFBJGTKV-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN C[C@@H]1C(=O)NCC12CC(C)(C)C2 307241420 345916564 /nfs/dbraw/zinc/91/65/64/345916564.db2.gz HVKRGAFJFCXUEM-SSDOTTSWSA-N 0 0 167.252 1.559 10 0 ADAERN Cn1cnnc1C(=O)CC1CCC1 307241606 345916653 /nfs/dbraw/zinc/91/66/53/345916653.db2.gz IWHUCGSNBDAINE-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN Cc1cnc(=O)[nH]c1C(C)(C)C 307242826 345917059 /nfs/dbraw/zinc/91/70/59/345917059.db2.gz SHNVYDYZSYLUHS-UHFFFAOYSA-N 0 0 166.224 1.788 10 0 ADAERN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2C)C1 307242824 345917245 /nfs/dbraw/zinc/91/72/45/345917245.db2.gz JPIUBEQODDOSEV-ZYUZMQFOSA-N 0 0 181.279 1.899 10 0 ADAERN C[C@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@H]2C)C1 307242820 345917248 /nfs/dbraw/zinc/91/72/48/345917248.db2.gz JPIUBEQODDOSEV-QCLAVDOMSA-N 0 0 181.279 1.899 10 0 ADAERN C[C@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2C)C1 307242822 345917295 /nfs/dbraw/zinc/91/72/95/345917295.db2.gz JPIUBEQODDOSEV-SGIHWFKDSA-N 0 0 181.279 1.899 10 0 ADAERN CC(C)OC(C)(C)c1nc(N)no1 307243789 345917633 /nfs/dbraw/zinc/91/76/33/345917633.db2.gz UBJKULFNGXWJBF-UHFFFAOYSA-N 0 0 185.227 1.312 10 0 ADAERN C[C@H]1CCC[C@@H](C(=O)NC2COC2)C1 307243817 345917646 /nfs/dbraw/zinc/91/76/46/345917646.db2.gz KNASWFSNPUUAJJ-DTWKUNHWSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1CCC[C@H](C(=O)NC2COC2)C1 307243816 345917685 /nfs/dbraw/zinc/91/76/85/345917685.db2.gz KNASWFSNPUUAJJ-BDAKNGLRSA-N 0 0 197.278 1.328 10 0 ADAERN N[C@@H](c1nccs1)C1(CO)CCC1 307243155 345917694 /nfs/dbraw/zinc/91/76/94/345917694.db2.gz JWOOCSMNVHZEHK-ZETCQYMHSA-N 0 0 198.291 1.306 10 0 ADAERN Cc1cnccc1C1=NNC(=N)CC1 307243171 345917713 /nfs/dbraw/zinc/91/77/13/345917713.db2.gz JXDRJFANLAYNTK-UHFFFAOYSA-N 0 0 188.234 1.245 10 0 ADAERN CC1(C)C[C@H]1c1cc(=O)[nH]c(=O)[nH]1 307243449 345917758 /nfs/dbraw/zinc/91/77/58/345917758.db2.gz JETSEUUOBWKJLT-YFKPBYRVSA-N 0 0 180.207 1.401 10 0 ADAERN C[C@H]1CCC[C@H](C(=O)NC2COC2)C1 307243818 345917781 /nfs/dbraw/zinc/91/77/81/345917781.db2.gz KNASWFSNPUUAJJ-IUCAKERBSA-N 0 0 197.278 1.328 10 0 ADAERN C/C=C/CNc1nnc(C)s1 307244095 345917819 /nfs/dbraw/zinc/91/78/19/345917819.db2.gz KVJBRMBEDYKCLZ-ONEGZZNKSA-N 0 0 169.253 1.835 10 0 ADAERN CC1(C)C[C@@H]1c1cc(=O)[nH]c(=O)[nH]1 307243448 345917836 /nfs/dbraw/zinc/91/78/36/345917836.db2.gz JETSEUUOBWKJLT-RXMQYKEDSA-N 0 0 180.207 1.401 10 0 ADAERN Cc1nc(C2=C[C@H](O)CC2)cs1 307244642 345918109 /nfs/dbraw/zinc/91/81/09/345918109.db2.gz LJXFDTRPQOOYAH-MRVPVSSYSA-N 0 0 181.260 1.990 10 0 ADAERN Cc1nc(C2(O)CCC2)cs1 307244703 345918124 /nfs/dbraw/zinc/91/81/24/345918124.db2.gz LNWLWIGLVFHRSS-UHFFFAOYSA-N 0 0 169.249 1.823 10 0 ADAERN Cn1cnnc1[C@@H]1CCCCC1=O 307244626 345918126 /nfs/dbraw/zinc/91/81/26/345918126.db2.gz LIZAPBBUIPAORJ-SSDOTTSWSA-N 0 0 179.223 1.042 10 0 ADAERN Cn1cnnc1[C@H]1CCCCC1=O 307244627 345918266 /nfs/dbraw/zinc/91/82/66/345918266.db2.gz LIZAPBBUIPAORJ-ZETCQYMHSA-N 0 0 179.223 1.042 10 0 ADAERN CC1(C)CC[C@@]2(CNC(=O)CO2)C1 307244706 345918284 /nfs/dbraw/zinc/91/82/84/345918284.db2.gz VBSBDRUNJYAPTO-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN Cc1nc(C2=C[C@@H](O)CC2)cs1 307244644 345918288 /nfs/dbraw/zinc/91/82/88/345918288.db2.gz LJXFDTRPQOOYAH-QMMMGPOBSA-N 0 0 181.260 1.990 10 0 ADAERN CC1(C)CC[C@]2(CNC(=O)CO2)C1 307244709 345918294 /nfs/dbraw/zinc/91/82/94/345918294.db2.gz VBSBDRUNJYAPTO-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN O=C(NCCF)N1CCC[C@@H]2C[C@@H]21 307245633 345919106 /nfs/dbraw/zinc/91/91/06/345919106.db2.gz MNEAKCGYUAJHCP-SFYZADRCSA-N 0 0 186.230 1.150 10 0 ADAERN C(=C/C1CC1)\CNc1ncns1 307245778 345919144 /nfs/dbraw/zinc/91/91/44/345919144.db2.gz MPYBEQNCSYMQLV-OWOJBTEDSA-N 0 0 181.264 1.916 10 0 ADAERN C/C=C/CNc1cc(C)ncn1 307245779 345919242 /nfs/dbraw/zinc/91/92/42/345919242.db2.gz MQABLYUDNKQZQB-ONEGZZNKSA-N 0 0 163.224 1.773 10 0 ADAERN C[C@H](Nc1cnccn1)C(F)(F)F 307246860 345919662 /nfs/dbraw/zinc/91/96/62/345919662.db2.gz YVOUYIXATWVWTR-YFKPBYRVSA-N 0 0 191.156 1.839 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@@H]1c1ccccn1 307246672 345919692 /nfs/dbraw/zinc/91/96/92/345919692.db2.gz YMUZFDVDDLSRSA-ONGXEEELSA-N 0 0 176.263 1.998 10 0 ADAERN CCc1ccc(N)cc1N[S@](C)=O 307246761 345919755 /nfs/dbraw/zinc/91/97/55/345919755.db2.gz YSAQPWCNKPXGAS-ZDUSSCGKSA-N 0 0 198.291 1.537 10 0 ADAERN O=C1N[C@@H](C2CC2)[C@H]1C1CCC1 307246905 345919759 /nfs/dbraw/zinc/91/97/59/345919759.db2.gz YZMXTIXRDXUPIC-BDAKNGLRSA-N 0 0 165.236 1.311 10 0 ADAERN CC[C@@H]1C[C@@H]1c1cc(N)n[nH]1 307246725 345919762 /nfs/dbraw/zinc/91/97/62/345919762.db2.gz YPEYSMVCABUMJJ-RITPCOANSA-N 0 0 151.213 1.505 10 0 ADAERN O=C1N[C@H](C2CC2)[C@H]1C1CCC1 307246908 345919766 /nfs/dbraw/zinc/91/97/66/345919766.db2.gz YZMXTIXRDXUPIC-RKDXNWHRSA-N 0 0 165.236 1.311 10 0 ADAERN CC[C@H]1C[C@@H]1CNC(=S)NC 307247088 345919792 /nfs/dbraw/zinc/91/97/92/345919792.db2.gz ZHXWMQHIFYDNCB-NKWVEPMBSA-N 0 0 172.297 1.126 10 0 ADAERN CC[C@@H]1C[C@@H]1CNC(=S)NC 307247089 345919794 /nfs/dbraw/zinc/91/97/94/345919794.db2.gz ZHXWMQHIFYDNCB-RNFRBKRXSA-N 0 0 172.297 1.126 10 0 ADAERN Cc1cocc1C(=O)c1cn[nH]c1 307246785 345919810 /nfs/dbraw/zinc/91/98/10/345919810.db2.gz YUNFIHWJNFKFPK-UHFFFAOYSA-N 0 0 176.175 1.542 10 0 ADAERN O=C1N[C@@H](C2CC2)[C@@H]1C1CCC1 307246907 345919821 /nfs/dbraw/zinc/91/98/21/345919821.db2.gz YZMXTIXRDXUPIC-IUCAKERBSA-N 0 0 165.236 1.311 10 0 ADAERN O=C1N[C@H](C2CC2)[C@@H]1C1CCC1 307246906 345919824 /nfs/dbraw/zinc/91/98/24/345919824.db2.gz YZMXTIXRDXUPIC-DTWKUNHWSA-N 0 0 165.236 1.311 10 0 ADAERN CC(C)[C@H]1C[NH2+][C@@H]1c1ccccn1 307246670 345919825 /nfs/dbraw/zinc/91/98/25/345919825.db2.gz YMUZFDVDDLSRSA-KOLCDFICSA-N 0 0 176.263 1.998 10 0 ADAERN CC(C)[C@H]1C[NH2+][C@H]1c1ccccn1 307246671 345919831 /nfs/dbraw/zinc/91/98/31/345919831.db2.gz YMUZFDVDDLSRSA-MWLCHTKSSA-N 0 0 176.263 1.998 10 0 ADAERN CC[C@H]1C[C@H]1CNC(=S)NC 307247087 345919840 /nfs/dbraw/zinc/91/98/40/345919840.db2.gz ZHXWMQHIFYDNCB-BQBZGAKWSA-N 0 0 172.297 1.126 10 0 ADAERN CC[C@H]1C[C@H]1c1cc(N)n[nH]1 307246723 345919855 /nfs/dbraw/zinc/91/98/55/345919855.db2.gz YPEYSMVCABUMJJ-NTSWFWBYSA-N 0 0 151.213 1.505 10 0 ADAERN C[C@@H](Nc1cnccn1)C(F)(F)F 307246859 345919857 /nfs/dbraw/zinc/91/98/57/345919857.db2.gz YVOUYIXATWVWTR-RXMQYKEDSA-N 0 0 191.156 1.839 10 0 ADAERN CC[C@@H]1C[C@H]1c1cc(N)n[nH]1 307246724 345919866 /nfs/dbraw/zinc/91/98/66/345919866.db2.gz YPEYSMVCABUMJJ-PHDIDXHHSA-N 0 0 151.213 1.505 10 0 ADAERN CC(C)OCC1=NC(=O)CS1 307246778 345919886 /nfs/dbraw/zinc/91/98/86/345919886.db2.gz YUCVBNXAGGVZQV-UHFFFAOYSA-N 0 0 173.237 1.774 10 0 ADAERN CC[C@H]1C[C@@H]1c1cc(N)n[nH]1 307246726 345919889 /nfs/dbraw/zinc/91/98/89/345919889.db2.gz YPEYSMVCABUMJJ-WDSKDSINSA-N 0 0 151.213 1.505 10 0 ADAERN CCc1ccc(N)cc1N[S@@](C)=O 307246760 345919903 /nfs/dbraw/zinc/91/99/03/345919903.db2.gz YSAQPWCNKPXGAS-CYBMUJFWSA-N 0 0 198.291 1.537 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@H]1c1ccccn1 307246669 345919906 /nfs/dbraw/zinc/91/99/06/345919906.db2.gz YMUZFDVDDLSRSA-GXSJLCMTSA-N 0 0 176.263 1.998 10 0 ADAERN O=C1N[C@H](c2cncs2)[C@@H]1C1CC1 307247925 345920236 /nfs/dbraw/zinc/92/02/36/345920236.db2.gz NALKAJHWSAOXLZ-JGVFFNPUSA-N 0 0 194.259 1.340 10 0 ADAERN COCc1ccc(C(N)=S)o1 307248010 345920258 /nfs/dbraw/zinc/92/02/58/345920258.db2.gz NCUCBWALVVAUGL-UHFFFAOYSA-N 0 0 171.221 1.060 10 0 ADAERN FCCCNc1cnccn1 307247757 345920300 /nfs/dbraw/zinc/92/03/00/345920300.db2.gz DTSJHMJMXRDHMM-UHFFFAOYSA-N 0 0 155.176 1.248 10 0 ADAERN Cc1cnc(N[C@H]2CC[C@@H](O)C2)s1 307248012 345920353 /nfs/dbraw/zinc/92/03/53/345920353.db2.gz NCUKDOWUOMRPCE-JGVFFNPUSA-N 0 0 198.291 1.777 10 0 ADAERN O=C(NC1CC1)[C@@H]1CCCC1(F)F 307247624 345920465 /nfs/dbraw/zinc/92/04/65/345920465.db2.gz HPOZHHYPWHXLOE-ZETCQYMHSA-N 0 0 189.205 1.700 10 0 ADAERN O=C(NC1CC1)[C@H]1CCCC1(F)F 307247618 345920484 /nfs/dbraw/zinc/92/04/84/345920484.db2.gz HPOZHHYPWHXLOE-SSDOTTSWSA-N 0 0 189.205 1.700 10 0 ADAERN O=C1N[C@@H](c2cncs2)[C@H]1C1CC1 307247932 345920493 /nfs/dbraw/zinc/92/04/93/345920493.db2.gz NALKAJHWSAOXLZ-SFYZADRCSA-N 0 0 194.259 1.340 10 0 ADAERN CCNc1n[nH]c2c1COC2(C)C 307248021 345920743 /nfs/dbraw/zinc/92/07/43/345920743.db2.gz AJYBLPDZUIGHQD-UHFFFAOYSA-N 0 0 181.239 1.607 10 0 ADAERN Cc1nc([C@@H](N)c2cn[nH]c2)cs1 307248520 345920936 /nfs/dbraw/zinc/92/09/36/345920936.db2.gz NIKVNVJJRYBQIO-QMMMGPOBSA-N 0 0 194.263 1.223 10 0 ADAERN Cc1nc([C@H](N)c2cn[nH]c2)cs1 307248519 345920999 /nfs/dbraw/zinc/92/09/99/345920999.db2.gz NIKVNVJJRYBQIO-MRVPVSSYSA-N 0 0 194.263 1.223 10 0 ADAERN COCC(=O)C1CC(F)(F)C1 307248918 345921117 /nfs/dbraw/zinc/92/11/17/345921117.db2.gz NSMIMQHJGAYXDQ-UHFFFAOYSA-N 0 0 164.151 1.247 10 0 ADAERN Cc1cc(C[NH2+][C@@H]2CC[C@@H]2C)n(C)n1 307249249 345921335 /nfs/dbraw/zinc/92/13/35/345921335.db2.gz JHDLLADBZMGMPP-GZMMTYOYSA-N 0 0 193.294 1.617 10 0 ADAERN CCc1nccc([C@@H](C)[NH3+])n1 307249425 345921346 /nfs/dbraw/zinc/92/13/46/345921346.db2.gz JKGRKLJTPZSFJP-ZCFIWIBFSA-N 0 0 151.213 1.059 10 0 ADAERN C/C=C/CNc1nncs1 307249126 345921544 /nfs/dbraw/zinc/92/15/44/345921544.db2.gz OCAOOQZAEHJCEL-NSCUHMNNSA-N 0 0 155.226 1.526 10 0 ADAERN Cc1cc(C[NH2+][C@H]2CC[C@@H]2C)n(C)n1 307249251 345921620 /nfs/dbraw/zinc/92/16/20/345921620.db2.gz JHDLLADBZMGMPP-KWQFWETISA-N 0 0 193.294 1.617 10 0 ADAERN Cc1cc(C[NH2+][C@H]2CC[C@H]2C)n(C)n1 307249250 345921755 /nfs/dbraw/zinc/92/17/55/345921755.db2.gz JHDLLADBZMGMPP-KCJUWKMLSA-N 0 0 193.294 1.617 10 0 ADAERN C[C@H]1CCC[C@@H]1c1nccc(N)n1 307249547 345921949 /nfs/dbraw/zinc/92/19/49/345921949.db2.gz OORVJKANILZTLA-YUMQZZPRSA-N 0 0 177.251 1.962 10 0 ADAERN CCCNC(=O)[C@@H]1C[C@@H](C)CCO1 307250275 345922122 /nfs/dbraw/zinc/92/21/22/345922122.db2.gz PJEGORVDWZGAEH-IUCAKERBSA-N 0 0 185.267 1.328 10 0 ADAERN Cn1cnnc1-c1ccc(C=O)cc1 307249717 345922351 /nfs/dbraw/zinc/92/23/51/345922351.db2.gz OTQUQKKYAHVAFU-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN CSC(C)(C)c1nccc(C[NH3+])n1 307250634 345922493 /nfs/dbraw/zinc/92/24/93/345922493.db2.gz PTHJEYYCWAYORX-UHFFFAOYSA-N 0 0 197.307 1.533 10 0 ADAERN C/C=C/CNc1nc(N)ns1 307250835 345922496 /nfs/dbraw/zinc/92/24/96/345922496.db2.gz PZYOXSBEYBCPAR-NSCUHMNNSA-N 0 0 170.241 1.108 10 0 ADAERN C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] 307250321 345922557 /nfs/dbraw/zinc/92/25/57/345922557.db2.gz LOACVXFNMFXUAQ-HLTSFMKQSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CC[C@H]1[N@@H+]1CCC[C@@H]1C(=O)[O-] 307250325 345922634 /nfs/dbraw/zinc/92/26/34/345922634.db2.gz LOACVXFNMFXUAQ-IWSPIJDZSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@H]1C(=O)[O-] 307250326 345922784 /nfs/dbraw/zinc/92/27/84/345922784.db2.gz LOACVXFNMFXUAQ-VGMNWLOBSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CC[C@@H]1[N@@H+]1CCC[C@@H]1C(=O)[O-] 307250323 345922827 /nfs/dbraw/zinc/92/28/27/345922827.db2.gz LOACVXFNMFXUAQ-HRDYMLBCSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H](CO)Nc1ccc2c(c1)CCO2 307250584 345922832 /nfs/dbraw/zinc/92/28/32/345922832.db2.gz POIKFBOTPBNDBT-QMMMGPOBSA-N 0 0 193.246 1.414 10 0 ADAERN C[C@H](CO)Nc1ccc2c(c1)CCO2 307250583 345922839 /nfs/dbraw/zinc/92/28/39/345922839.db2.gz POIKFBOTPBNDBT-MRVPVSSYSA-N 0 0 193.246 1.414 10 0 ADAERN CCS[C@H]1CCN(C(=O)NC)C1 307250312 345922843 /nfs/dbraw/zinc/92/28/43/345922843.db2.gz PKNUWLFFZDHGOI-ZETCQYMHSA-N 0 0 188.296 1.153 10 0 ADAERN C[C@H]1[C@H](O)CCCN1C(=O)C(C)(C)C 307251159 345923003 /nfs/dbraw/zinc/92/30/03/345923003.db2.gz QGIGUERPOFTWBE-DTWKUNHWSA-N 0 0 199.294 1.404 10 0 ADAERN C/C=C/CNC(=O)NC1CCC1 307251696 345922981 /nfs/dbraw/zinc/92/29/81/345922981.db2.gz QUDWPNODCACAAU-NSCUHMNNSA-N 0 0 168.240 1.414 10 0 ADAERN CCC1(Nc2cncc(N)n2)CC1 307251420 345923105 /nfs/dbraw/zinc/92/31/05/345923105.db2.gz NWIGSTJBVKSFKG-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN CC1(C)CN(c2cccnc2N)C1 307251238 345923335 /nfs/dbraw/zinc/92/33/35/345923335.db2.gz NNNYMMMZGKBXSU-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1nncn1C 307252191 345923548 /nfs/dbraw/zinc/92/35/48/345923548.db2.gz RQIAOBPSXMDZDJ-VXNVDRBHSA-N 0 0 183.255 1.069 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1nncn1C 307252189 345923582 /nfs/dbraw/zinc/92/35/82/345923582.db2.gz RQIAOBPSXMDZDJ-CBAPKCEASA-N 0 0 183.255 1.069 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1nncn1C 307252190 345923626 /nfs/dbraw/zinc/92/36/26/345923626.db2.gz RQIAOBPSXMDZDJ-IONNQARKSA-N 0 0 183.255 1.069 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@]1(O)C1=CCCO1 307252276 345923651 /nfs/dbraw/zinc/92/36/51/345923651.db2.gz RVTJOWQVFROIAQ-KHQFGBGNSA-N 0 0 184.235 1.219 10 0 ADAERN C[C@H](CC(C)(C)C)N1CC(=O)CC1=O 307252137 345923667 /nfs/dbraw/zinc/92/36/67/345923667.db2.gz RMVUZVGOUUGKNU-MRVPVSSYSA-N 0 0 197.278 1.613 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1nncn1C 307252188 345923681 /nfs/dbraw/zinc/92/36/81/345923681.db2.gz RQIAOBPSXMDZDJ-APPZFPTMSA-N 0 0 183.255 1.069 10 0 ADAERN C[C@@H]1C[C@](O)(C2=CCCO2)[C@@H](C)O1 307252278 345923683 /nfs/dbraw/zinc/92/36/83/345923683.db2.gz RVTJOWQVFROIAQ-NQMVMOMDSA-N 0 0 184.235 1.219 10 0 ADAERN C[C@@H]1C[C@@](O)(C2=CCCO2)[C@@H](C)O1 307252277 345923708 /nfs/dbraw/zinc/92/37/08/345923708.db2.gz RVTJOWQVFROIAQ-MRTMQBJTSA-N 0 0 184.235 1.219 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@]1(O)C1=CCCO1 307252279 345923734 /nfs/dbraw/zinc/92/37/34/345923734.db2.gz RVTJOWQVFROIAQ-WEDXCCLWSA-N 0 0 184.235 1.219 10 0 ADAERN C/C(=C/c1ccncc1C)CO 307252248 345923740 /nfs/dbraw/zinc/92/37/40/345923740.db2.gz RTNCXFXXBSAIGR-YVMONPNESA-N 0 0 163.220 1.786 10 0 ADAERN C[C@@H]1C[C@@H](Nc2nncs2)[C@@H](C)O1 307252736 345923968 /nfs/dbraw/zinc/92/39/68/345923968.db2.gz SWNVMRRLRIGYFC-FSDSQADBSA-N 0 0 199.279 1.516 10 0 ADAERN Cc1nc([C@H](N)C(F)F)cs1 307252768 345923990 /nfs/dbraw/zinc/92/39/90/345923990.db2.gz SYTAZPGVTKYXAG-YFKPBYRVSA-N 0 0 178.207 1.716 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1Nc1nncs1 307252738 345924038 /nfs/dbraw/zinc/92/40/38/345924038.db2.gz SWNVMRRLRIGYFC-VQVTYTSYSA-N 0 0 199.279 1.516 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1Nc1nncs1 307252735 345924053 /nfs/dbraw/zinc/92/40/53/345924053.db2.gz SWNVMRRLRIGYFC-DSYKOEDSSA-N 0 0 199.279 1.516 10 0 ADAERN CCS[C@H]1CCN(C#N)C1 307252284 345924058 /nfs/dbraw/zinc/92/40/58/345924058.db2.gz RWIGDCUBTFJEID-ZETCQYMHSA-N 0 0 156.254 1.295 10 0 ADAERN Cc1nc([C@@H](N)C(F)F)cs1 307252767 345924146 /nfs/dbraw/zinc/92/41/46/345924146.db2.gz SYTAZPGVTKYXAG-RXMQYKEDSA-N 0 0 178.207 1.716 10 0 ADAERN C[C@@H]1C[C@H](Nc2nncs2)[C@@H](C)O1 307252737 345924151 /nfs/dbraw/zinc/92/41/51/345924151.db2.gz SWNVMRRLRIGYFC-QYNIQEEDSA-N 0 0 199.279 1.516 10 0 ADAERN CCS[C@@H]1CCN(C#N)C1 307252283 345924211 /nfs/dbraw/zinc/92/42/11/345924211.db2.gz RWIGDCUBTFJEID-SSDOTTSWSA-N 0 0 156.254 1.295 10 0 ADAERN O=c1[nH]ccn1CC1CC(F)(F)C1 307252393 345924233 /nfs/dbraw/zinc/92/42/33/345924233.db2.gz SCMBFIJGFLLQSE-UHFFFAOYSA-N 0 0 188.177 1.222 10 0 ADAERN C[C@@H]1CCC[C@H](c2nc(N)n[nH]2)C1 307253431 345924499 /nfs/dbraw/zinc/92/44/99/345924499.db2.gz VFONPOJFJPTQHW-RQJHMYQMSA-N 0 0 180.255 1.681 10 0 ADAERN CC(C)C(O)(c1nncn1C)C(C)C 307252948 345924452 /nfs/dbraw/zinc/92/44/52/345924452.db2.gz UDQBSVDZHRQBCF-UHFFFAOYSA-N 0 0 197.282 1.315 10 0 ADAERN C[C@@H]1CCC[C@@H](c2nc(N)n[nH]2)C1 307253430 345924459 /nfs/dbraw/zinc/92/44/59/345924459.db2.gz VFONPOJFJPTQHW-RNFRBKRXSA-N 0 0 180.255 1.681 10 0 ADAERN CC(C)S[C@H]1CCN(C#N)C1 307253173 345924479 /nfs/dbraw/zinc/92/44/79/345924479.db2.gz URULZTDDZTVSTF-QMMMGPOBSA-N 0 0 170.281 1.683 10 0 ADAERN CC(C)S[C@@H]1CCN(C#N)C1 307253151 345924545 /nfs/dbraw/zinc/92/45/45/345924545.db2.gz URULZTDDZTVSTF-MRVPVSSYSA-N 0 0 170.281 1.683 10 0 ADAERN CC(F)(F)C(=O)Nc1ccon1 307253234 345924589 /nfs/dbraw/zinc/92/45/89/345924589.db2.gz UWPGCBORRRZYOV-UHFFFAOYSA-N 0 0 176.122 1.268 10 0 ADAERN C[C@H]1CCC[C@@H](c2nc(N)n[nH]2)C1 307253429 345924613 /nfs/dbraw/zinc/92/46/13/345924613.db2.gz VFONPOJFJPTQHW-NKWVEPMBSA-N 0 0 180.255 1.681 10 0 ADAERN C[C@@H](CC(C)(C)C)Nc1n[nH]c(N)n1 307253128 345924644 /nfs/dbraw/zinc/92/46/44/345924644.db2.gz UQWYFWRVEKNGDC-LURJTMIESA-N 0 0 197.286 1.624 10 0 ADAERN C[C@H](CC(C)(C)C)Nc1n[nH]c(N)n1 307253129 345924724 /nfs/dbraw/zinc/92/47/24/345924724.db2.gz UQWYFWRVEKNGDC-ZCFIWIBFSA-N 0 0 197.286 1.624 10 0 ADAERN C[C@H]1CCC[C@H](c2nc(N)n[nH]2)C1 307253428 345924746 /nfs/dbraw/zinc/92/47/46/345924746.db2.gz VFONPOJFJPTQHW-BQBZGAKWSA-N 0 0 180.255 1.681 10 0 ADAERN C[C@H]1CCC[C@H]1c1ncnc(N)n1 307253497 345924956 /nfs/dbraw/zinc/92/49/56/345924956.db2.gz VKSYIRHEVJYAEX-NKWVEPMBSA-N 0 0 178.239 1.357 10 0 ADAERN CC(F)(F)[C@H](O)Cc1ccco1 307253493 345924959 /nfs/dbraw/zinc/92/49/59/345924959.db2.gz VKDPTPPVHFGUCH-SSDOTTSWSA-N 0 0 176.162 1.838 10 0 ADAERN C[C@@H]1CCC[C@H]1c1ncnc(N)n1 307253498 345925040 /nfs/dbraw/zinc/92/50/40/345925040.db2.gz VKSYIRHEVJYAEX-RNFRBKRXSA-N 0 0 178.239 1.357 10 0 ADAERN C[C@H]1CCC[C@@H]1c1ncnc(N)n1 307253496 345925257 /nfs/dbraw/zinc/92/52/57/345925257.db2.gz VKSYIRHEVJYAEX-BQBZGAKWSA-N 0 0 178.239 1.357 10 0 ADAERN CC(F)(F)[C@@H](O)Cc1ccco1 307253494 345925269 /nfs/dbraw/zinc/92/52/69/345925269.db2.gz VKDPTPPVHFGUCH-ZETCQYMHSA-N 0 0 176.162 1.838 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1ncnc(N)n1 307253499 345925319 /nfs/dbraw/zinc/92/53/19/345925319.db2.gz VKSYIRHEVJYAEX-RQJHMYQMSA-N 0 0 178.239 1.357 10 0 ADAERN COC(=O)N1CCC[C@@H](SC)C1 307254165 345925475 /nfs/dbraw/zinc/92/54/75/345925475.db2.gz XAYFVNHMAXEQBF-SSDOTTSWSA-N 0 0 189.280 1.580 10 0 ADAERN CCOc1cncc(N[C@@H]2C[C@H]2C)n1 307254046 345925528 /nfs/dbraw/zinc/92/55/28/345925528.db2.gz WRJVDTGOEHDZOF-HTQZYQBOSA-N 0 0 193.250 1.696 10 0 ADAERN CCSC1CCN(C(C)=O)CC1 307254202 345925542 /nfs/dbraw/zinc/92/55/42/345925542.db2.gz XCSXGZCRRRUAOA-UHFFFAOYSA-N 0 0 187.308 1.750 10 0 ADAERN COC(=O)N1CCC[C@H](SC)C1 307254166 345925590 /nfs/dbraw/zinc/92/55/90/345925590.db2.gz XAYFVNHMAXEQBF-ZETCQYMHSA-N 0 0 189.280 1.580 10 0 ADAERN C/C=C/CNC(=O)c1cc(N)cs1 307254269 345925592 /nfs/dbraw/zinc/92/55/92/345925592.db2.gz XHSNBGWLHISZBC-NSCUHMNNSA-N 0 0 196.275 1.636 10 0 ADAERN CC(C)C[C@@](C)(O)c1nncn1C 307253980 345925604 /nfs/dbraw/zinc/92/56/04/345925604.db2.gz WNOFGNQIOKJGBX-SECBINFHSA-N 0 0 183.255 1.069 10 0 ADAERN CC(C)C[C@](C)(O)c1nncn1C 307253981 345925626 /nfs/dbraw/zinc/92/56/26/345925626.db2.gz WNOFGNQIOKJGBX-VIFPVBQESA-N 0 0 183.255 1.069 10 0 ADAERN Cc1nc(C2(O)CCOCC2)cs1 307254311 345925631 /nfs/dbraw/zinc/92/56/31/345925631.db2.gz XKRWCDLZWWYCNQ-UHFFFAOYSA-N 0 0 199.275 1.450 10 0 ADAERN C/C=C/CNc1ccc(N)cn1 307254244 345925747 /nfs/dbraw/zinc/92/57/47/345925747.db2.gz XGAMQXXYQFNGFD-NSCUHMNNSA-N 0 0 163.224 1.652 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C 307254919 345925932 /nfs/dbraw/zinc/92/59/32/345925932.db2.gz YTMPGFVFUVRXIN-UNISNWAASA-N 0 0 183.251 1.245 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@H]1C 307254348 345925935 /nfs/dbraw/zinc/92/59/35/345925935.db2.gz XOOAQJZDTQAZAZ-JBDRJPRFSA-N 0 0 167.252 1.415 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@H]1C 307254350 345925938 /nfs/dbraw/zinc/92/59/38/345925938.db2.gz XOOAQJZDTQAZAZ-XGEHTFHBSA-N 0 0 167.252 1.415 10 0 ADAERN F[C@H]1CCC[C@H]1[NH2+][C@H]1CCCOC1 307254734 345925980 /nfs/dbraw/zinc/92/59/80/345925980.db2.gz YHXAGNLSJAMJEG-LPEHRKFASA-N 0 0 187.258 1.646 10 0 ADAERN C[C@H]1C[C@H]1C(=O)c1cscn1 307254576 345925986 /nfs/dbraw/zinc/92/59/86/345925986.db2.gz YAFRITNJMRIFOQ-NTSWFWBYSA-N 0 0 167.233 1.982 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)[C@H]1C[C@@H]1C 307254349 345926012 /nfs/dbraw/zinc/92/60/12/345926012.db2.gz XOOAQJZDTQAZAZ-MAUMQABQSA-N 0 0 167.252 1.415 10 0 ADAERN F[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCOC1 307254733 345926017 /nfs/dbraw/zinc/92/60/17/345926017.db2.gz YHXAGNLSJAMJEG-KXUCPTDWSA-N 0 0 187.258 1.646 10 0 ADAERN Nc1nccnc1NC/C=C/C1CC1 307254742 345926022 /nfs/dbraw/zinc/92/60/22/345926022.db2.gz YJITUUJLADLCNW-OWOJBTEDSA-N 0 0 190.250 1.437 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1cscn1 307254577 345926038 /nfs/dbraw/zinc/92/60/38/345926038.db2.gz YAFRITNJMRIFOQ-PHDIDXHHSA-N 0 0 167.233 1.982 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C 307254920 345926083 /nfs/dbraw/zinc/92/60/83/345926083.db2.gz YTMPGFVFUVRXIN-VARVQHAUSA-N 0 0 183.251 1.245 10 0 ADAERN c1nsc(NC[C@@H]2C[C@H]2C2CC2)n1 307254713 345926091 /nfs/dbraw/zinc/92/60/91/345926091.db2.gz YGILJGYRQDINBC-YUMQZZPRSA-N 0 0 195.291 1.996 10 0 ADAERN NCc1noc(C2CC(F)(F)C2)n1 307254406 345926125 /nfs/dbraw/zinc/92/61/25/345926125.db2.gz XTUVQVSHGHULPA-UHFFFAOYSA-N 0 0 189.165 1.041 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cscn1 307254579 345926156 /nfs/dbraw/zinc/92/61/56/345926156.db2.gz YAFRITNJMRIFOQ-WDSKDSINSA-N 0 0 167.233 1.982 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@H](C)O[C@H]1C 307254922 345926175 /nfs/dbraw/zinc/92/61/75/345926175.db2.gz YTMPGFVFUVRXIN-VSXNJVAHSA-N 0 0 183.251 1.245 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1cscn1 307254578 345926199 /nfs/dbraw/zinc/92/61/99/345926199.db2.gz YAFRITNJMRIFOQ-RITPCOANSA-N 0 0 167.233 1.982 10 0 ADAERN C[C@@H](c1ccccc1)N(C)C(N)=S 307254439 345926232 /nfs/dbraw/zinc/92/62/32/345926232.db2.gz XVTDOAPHBOOUTG-QMMMGPOBSA-N 0 0 194.303 1.923 10 0 ADAERN C/C=C/C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C 307254921 345926235 /nfs/dbraw/zinc/92/62/35/345926235.db2.gz YTMPGFVFUVRXIN-VDVDPMKASA-N 0 0 183.251 1.245 10 0 ADAERN C[C@H](c1ccccc1)N(C)C(N)=S 307254438 345926256 /nfs/dbraw/zinc/92/62/56/345926256.db2.gz XVTDOAPHBOOUTG-MRVPVSSYSA-N 0 0 194.303 1.923 10 0 ADAERN C[C@H]1C[N@H+](Cc2ccncc2)[C@@H]1C 307255214 345926702 /nfs/dbraw/zinc/92/67/02/345926702.db2.gz ZEKSQCAJOWSSOF-VHSXEESVSA-N 0 0 176.263 1.922 10 0 ADAERN C[C@@H](CC(C)(C)O)n1cnnc1 307255224 345926725 /nfs/dbraw/zinc/92/67/25/345926725.db2.gz ZEURSOROVZQXDO-ZETCQYMHSA-N 0 0 169.228 1.000 10 0 ADAERN C[C@H]1CCC[C@H]1c1nnc(CO)[nH]1 307255246 345926790 /nfs/dbraw/zinc/92/67/90/345926790.db2.gz ZGTRDVHTTVQNDB-NKWVEPMBSA-N 0 0 181.239 1.201 10 0 ADAERN C[C@H](CC(C)(C)O)n1cnnc1 307255223 345926811 /nfs/dbraw/zinc/92/68/11/345926811.db2.gz ZEURSOROVZQXDO-SSDOTTSWSA-N 0 0 169.228 1.000 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@]1(O)c1ccc[nH]1 307255047 345926826 /nfs/dbraw/zinc/92/68/26/345926826.db2.gz ZCIUEUQWRAKTEY-KHQFGBGNSA-N 0 0 181.235 1.400 10 0 ADAERN C[C@@H]1CCC[C@H]1c1nnc(CO)[nH]1 307255247 345926839 /nfs/dbraw/zinc/92/68/39/345926839.db2.gz ZGTRDVHTTVQNDB-RNFRBKRXSA-N 0 0 181.239 1.201 10 0 ADAERN C[C@H]1C[N@H+](Cc2ccncc2)[C@H]1C 307255213 345926885 /nfs/dbraw/zinc/92/68/85/345926885.db2.gz ZEKSQCAJOWSSOF-UWVGGRQHSA-N 0 0 176.263 1.922 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccc[nH]2)[C@@H](C)O1 307255048 345926892 /nfs/dbraw/zinc/92/68/92/345926892.db2.gz ZCIUEUQWRAKTEY-MRTMQBJTSA-N 0 0 181.235 1.400 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H](C)C1CCC1 307255468 345927301 /nfs/dbraw/zinc/92/73/01/345927301.db2.gz ZJDIYKHJWBVOBR-XKSSXDPKSA-N 0 0 181.279 1.947 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1ccn(C)n1 307255621 345927330 /nfs/dbraw/zinc/92/73/30/345927330.db2.gz BIINKGJTYURMJO-SFYZADRCSA-N 0 0 164.208 1.113 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1ccn(C)n1 307255619 345927372 /nfs/dbraw/zinc/92/73/72/345927372.db2.gz BIINKGJTYURMJO-HTQZYQBOSA-N 0 0 164.208 1.113 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1ccn(C)n1 307255620 345927404 /nfs/dbraw/zinc/92/74/04/345927404.db2.gz BIINKGJTYURMJO-JGVFFNPUSA-N 0 0 164.208 1.113 10 0 ADAERN CCOC(=O)Nc1ccnc(OC)c1 307255995 345927413 /nfs/dbraw/zinc/92/74/13/345927413.db2.gz AEACCHDMICBLJB-UHFFFAOYSA-N 0 0 196.206 1.659 10 0 ADAERN CCNC(=O)Oc1cccc(O)c1N 307255971 345927429 /nfs/dbraw/zinc/92/74/29/345927429.db2.gz BKAZVNHFBHKKHI-UHFFFAOYSA-N 0 0 196.206 1.083 10 0 ADAERN CC1(C)CCN1Cc1ncc[nH]1 307256655 345927780 /nfs/dbraw/zinc/92/77/80/345927780.db2.gz ATIUSCWSCIRQDI-UHFFFAOYSA-N 0 0 165.240 1.394 10 0 ADAERN CC1(C2(NC(N)=S)CC2)CC1 307256405 345927824 /nfs/dbraw/zinc/92/78/24/345927824.db2.gz IPLZPUBRODDFAP-UHFFFAOYSA-N 0 0 170.281 1.152 10 0 ADAERN Brc1nccc2nc[nH]c12 307256176 345927865 /nfs/dbraw/zinc/92/78/65/345927865.db2.gz ICJGKEXYZISDAU-UHFFFAOYSA-N 0 0 198.023 1.672 10 0 ADAERN O=c1[n-]c(N2CCCC2)ncc1Cl 307256282 345927942 /nfs/dbraw/zinc/92/79/42/345927942.db2.gz AFTPLLZQCQSCQU-UHFFFAOYSA-N 0 0 199.641 1.436 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@H]1C(C)C 307257658 345928198 /nfs/dbraw/zinc/92/81/98/345928198.db2.gz JRTZFGAJGRYRCQ-XHNCKOQMSA-N 0 0 169.268 1.803 10 0 ADAERN CC[C@H]1CS[C@@H](c2cncnc2)N1 307256979 345928215 /nfs/dbraw/zinc/92/82/15/345928215.db2.gz PTAOBYDFHDQNPZ-IUCAKERBSA-N 0 0 195.291 1.590 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@H]1C(C)C 307257656 345928392 /nfs/dbraw/zinc/92/83/92/345928392.db2.gz JRTZFGAJGRYRCQ-HRDYMLBCSA-N 0 0 169.268 1.803 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H](C)[C@@H]1C(C)C 307257655 345928395 /nfs/dbraw/zinc/92/83/95/345928395.db2.gz JRTZFGAJGRYRCQ-CIUDSAMLSA-N 0 0 169.268 1.803 10 0 ADAERN O=C1CC[C@@H](N2CCC(F)(F)C2)C1 307257289 345928455 /nfs/dbraw/zinc/92/84/55/345928455.db2.gz IVTLYISVYVAEFD-SSDOTTSWSA-N 0 0 189.205 1.449 10 0 ADAERN CNC(=S)N1C2CCC1CC2 307257557 345928526 /nfs/dbraw/zinc/92/85/26/345928526.db2.gz CCJKWCRWPCPOHQ-UHFFFAOYSA-N 0 0 170.281 1.118 10 0 ADAERN Cc1nn([C@@H](C)CO)c(C)c1C 307257574 345928530 /nfs/dbraw/zinc/92/85/30/345928530.db2.gz BHKSDQYTSCFAKO-LURJTMIESA-N 0 0 168.240 1.362 10 0 ADAERN Cc1nn([C@H](C)CO)c(C)c1C 307257577 345928534 /nfs/dbraw/zinc/92/85/34/345928534.db2.gz BHKSDQYTSCFAKO-ZCFIWIBFSA-N 0 0 168.240 1.362 10 0 ADAERN O=C1CC[C@H](N2CCC(F)(F)C2)C1 307257291 345928543 /nfs/dbraw/zinc/92/85/43/345928543.db2.gz IVTLYISVYVAEFD-ZETCQYMHSA-N 0 0 189.205 1.449 10 0 ADAERN CC[C@@H]1NC(=O)[C@H](C)[C@@H]1C(C)C 307257657 345928555 /nfs/dbraw/zinc/92/85/55/345928555.db2.gz JRTZFGAJGRYRCQ-VGMNWLOBSA-N 0 0 169.268 1.803 10 0 ADAERN CC[C@@H]1CS[C@H](c2cncnc2)N1 307256980 345928570 /nfs/dbraw/zinc/92/85/70/345928570.db2.gz PTAOBYDFHDQNPZ-RKDXNWHRSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1ccc(N)c(OC(N)=O)c1 307257543 345928609 /nfs/dbraw/zinc/92/86/09/345928609.db2.gz CBPNIRPJSQBQJK-UHFFFAOYSA-N 0 0 166.180 1.035 10 0 ADAERN CC[C@H]1CS[C@H](c2cncnc2)N1 307256978 345928620 /nfs/dbraw/zinc/92/86/20/345928620.db2.gz PTAOBYDFHDQNPZ-DTWKUNHWSA-N 0 0 195.291 1.590 10 0 ADAERN CC[C@@H]1CS[C@@H](c2cncnc2)N1 307256977 345928646 /nfs/dbraw/zinc/92/86/46/345928646.db2.gz PTAOBYDFHDQNPZ-BDAKNGLRSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1cccc(C(=O)N2CC2)c1O 307257515 345928658 /nfs/dbraw/zinc/92/86/58/345928658.db2.gz BZWMSCNFTGULIM-UHFFFAOYSA-N 0 0 177.203 1.156 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@]1(C)CCCS1 307258115 345928925 /nfs/dbraw/zinc/92/89/25/345928925.db2.gz FJZPJACZEAQOHQ-XVKPBYJWSA-N 0 0 199.319 1.797 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@@]1(C)CCCS1 307258108 345928931 /nfs/dbraw/zinc/92/89/31/345928931.db2.gz FJZPJACZEAQOHQ-GMSGAONNSA-N 0 0 199.319 1.797 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@]1(C)CCCS1 307258113 345928959 /nfs/dbraw/zinc/92/89/59/345928959.db2.gz FJZPJACZEAQOHQ-XCBNKYQSSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@H](O)CNc1cn2ccccc2n1 307258210 345929089 /nfs/dbraw/zinc/92/90/89/345929089.db2.gz CJOGBLYFDHUUQD-QMMMGPOBSA-N 0 0 191.234 1.127 10 0 ADAERN CCC1(C2N=NC(=S)O2)CC1 307258112 345929118 /nfs/dbraw/zinc/92/91/18/345929118.db2.gz BMFOPCYMKOIGKU-UHFFFAOYSA-N 0 0 170.237 1.800 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CSC1(C)C 307258315 345929271 /nfs/dbraw/zinc/92/92/71/345929271.db2.gz BSJSTKSYWLYUDO-GJMOJQLCSA-N 0 0 199.319 1.653 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@@]1(C)CCCS1 307258110 345929296 /nfs/dbraw/zinc/92/92/96/345929296.db2.gz FJZPJACZEAQOHQ-OIBJUYFYSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CSC1(C)C 307258313 345929322 /nfs/dbraw/zinc/92/93/22/345929322.db2.gz BSJSTKSYWLYUDO-CSMHCCOUSA-N 0 0 199.319 1.653 10 0 ADAERN C[C@@H](O)CNc1cn2ccccc2n1 307258209 345929323 /nfs/dbraw/zinc/92/93/23/345929323.db2.gz CJOGBLYFDHUUQD-MRVPVSSYSA-N 0 0 191.234 1.127 10 0 ADAERN CC[C@H]1C[C@H]1c1n[nH]c(C)n1 307258625 345929500 /nfs/dbraw/zinc/92/95/00/345929500.db2.gz CDAALZJGIUZPHG-NKWVEPMBSA-N 0 0 151.213 1.627 10 0 ADAERN Cc1nc([C@H](O)[C@@H](O)C2CC2)cs1 307258942 345929553 /nfs/dbraw/zinc/92/95/53/345929553.db2.gz GBAHNTVALZPSIB-IUCAKERBSA-N 0 0 199.275 1.256 10 0 ADAERN CC[C@H](O)c1cc(C)ns1 307258641 345929660 /nfs/dbraw/zinc/92/96/60/345929660.db2.gz CGMUMFGBPQSETP-LURJTMIESA-N 0 0 157.238 1.895 10 0 ADAERN Cc1ccc([C@@H]2NCC(=O)N2)cc1C 307258720 345929684 /nfs/dbraw/zinc/92/96/84/345929684.db2.gz CVMFGDBASRKZKT-LLVKDONJSA-N 0 0 190.246 1.021 10 0 ADAERN CC[C@@H](O)c1cc(C)ns1 307258642 345929707 /nfs/dbraw/zinc/92/97/07/345929707.db2.gz CGMUMFGBPQSETP-ZCFIWIBFSA-N 0 0 157.238 1.895 10 0 ADAERN Cc1ccc([C@H]2NCC(=O)N2)cc1C 307258721 345929738 /nfs/dbraw/zinc/92/97/38/345929738.db2.gz CVMFGDBASRKZKT-NSHDSACASA-N 0 0 190.246 1.021 10 0 ADAERN Cc1nc([C@H](O)[C@H](O)C2CC2)cs1 307258940 345929742 /nfs/dbraw/zinc/92/97/42/345929742.db2.gz GBAHNTVALZPSIB-BDAKNGLRSA-N 0 0 199.275 1.256 10 0 ADAERN CC[C@H]1C[C@@H]1c1n[nH]c(C)n1 307258624 345929764 /nfs/dbraw/zinc/92/97/64/345929764.db2.gz CDAALZJGIUZPHG-BQBZGAKWSA-N 0 0 151.213 1.627 10 0 ADAERN CC[C@@H]1C[C@@H]1c1n[nH]c(C)n1 307258626 345929790 /nfs/dbraw/zinc/92/97/90/345929790.db2.gz CDAALZJGIUZPHG-RQJHMYQMSA-N 0 0 151.213 1.627 10 0 ADAERN Cc1nc([C@@H](O)[C@@H](O)C2CC2)cs1 307258941 345929801 /nfs/dbraw/zinc/92/98/01/345929801.db2.gz GBAHNTVALZPSIB-DTWKUNHWSA-N 0 0 199.275 1.256 10 0 ADAERN CC(C)C1(N2CCCNC2=O)CC1 307258571 345929904 /nfs/dbraw/zinc/92/99/04/345929904.db2.gz QTGPGAAZXMPZCP-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN CS(C)(=O)=Nc1ccc(N)cc1N 307258605 345929913 /nfs/dbraw/zinc/92/99/13/345929913.db2.gz BXTAHWYYWAKJOM-UHFFFAOYSA-N 0 0 199.279 1.210 10 0 ADAERN Cc1cnn(CCn2ccnc2C)c1 307259020 345930174 /nfs/dbraw/zinc/93/01/74/345930174.db2.gz JVXWDTRGLHLXLN-UHFFFAOYSA-N 0 0 190.250 1.397 10 0 ADAERN O=C(c1cc(Cl)ccc1F)N1CC1 307259541 345930234 /nfs/dbraw/zinc/93/02/34/345930234.db2.gz CLBGVNFUDLIFKT-UHFFFAOYSA-N 0 0 199.612 1.935 10 0 ADAERN O=C(c1ccc(F)c(Cl)c1)N1CC1 307259438 345930241 /nfs/dbraw/zinc/93/02/41/345930241.db2.gz GGMYXTHFVBIHPX-UHFFFAOYSA-N 0 0 199.612 1.935 10 0 ADAERN Cc1nc([C@@H](O)[C@H](O)C2CC2)cs1 307258943 345930247 /nfs/dbraw/zinc/93/02/47/345930247.db2.gz GBAHNTVALZPSIB-RKDXNWHRSA-N 0 0 199.275 1.256 10 0 ADAERN CC[C@H]1CCN(C(=O)NC)[C@@H]1C 307259528 345930261 /nfs/dbraw/zinc/93/02/61/345930261.db2.gz CJZQPNQSRTVPMV-SFYZADRCSA-N 0 0 170.256 1.446 10 0 ADAERN NN[C@H](C1=COCC1)C1CCCC1 307259596 345930274 /nfs/dbraw/zinc/93/02/74/345930274.db2.gz CSKXXAAMEBQDHY-JTQLQIEISA-N 0 0 182.267 1.313 10 0 ADAERN COC1CCC(C)(C(N)=O)CC1 307259538 345930276 /nfs/dbraw/zinc/93/02/76/345930276.db2.gz CKZCWVVKMCYWBP-UHFFFAOYSA-N 0 0 171.240 1.067 10 0 ADAERN CC[C@H]1CCN(C(=O)NC)[C@H]1C 307259529 345930297 /nfs/dbraw/zinc/93/02/97/345930297.db2.gz CJZQPNQSRTVPMV-YUMQZZPRSA-N 0 0 170.256 1.446 10 0 ADAERN NN[C@@H](C1=COCC1)C1CCCC1 307259597 345930303 /nfs/dbraw/zinc/93/03/03/345930303.db2.gz CSKXXAAMEBQDHY-SNVBAGLBSA-N 0 0 182.267 1.313 10 0 ADAERN FC(F)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 307259694 345930326 /nfs/dbraw/zinc/93/03/26/345930326.db2.gz KYXXABPPJIOYDH-JGVFFNPUSA-N 0 0 191.221 1.362 10 0 ADAERN CC[C@@H]1CCN(C(=O)NC)[C@H]1C 307259527 345930354 /nfs/dbraw/zinc/93/03/54/345930354.db2.gz CJZQPNQSRTVPMV-JGVFFNPUSA-N 0 0 170.256 1.446 10 0 ADAERN CC[C@@H]1CCN(C(=O)NC)[C@@H]1C 307259138 345930363 /nfs/dbraw/zinc/93/03/63/345930363.db2.gz CJZQPNQSRTVPMV-HTQZYQBOSA-N 0 0 170.256 1.446 10 0 ADAERN FC(F)c1nccnc1-n1cccn1 307260321 345930900 /nfs/dbraw/zinc/93/09/00/345930900.db2.gz SIROEWVGJLOVJD-UHFFFAOYSA-N 0 0 196.160 1.600 10 0 ADAERN Cc1nc(N)nn1[C@H](C)C(C)(C)C 307261290 345931365 /nfs/dbraw/zinc/93/13/65/345931365.db2.gz PERMMKHFVAISTR-ZCFIWIBFSA-N 0 0 182.271 1.776 10 0 ADAERN CC[C@H]1CC[C@@](C)(CO)O1 307261223 345931402 /nfs/dbraw/zinc/93/14/02/345931402.db2.gz OXSZZJXRACENGE-YUMQZZPRSA-N 0 0 144.214 1.326 10 0 ADAERN CC[C@@H]1CC[C@](C)(CO)O1 307261220 345931498 /nfs/dbraw/zinc/93/14/98/345931498.db2.gz OXSZZJXRACENGE-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN Cc1nc(N)nn1[C@@H](C)C(C)(C)C 307261289 345931509 /nfs/dbraw/zinc/93/15/09/345931509.db2.gz PERMMKHFVAISTR-LURJTMIESA-N 0 0 182.271 1.776 10 0 ADAERN CC[C@@H]1CC[C@@](C)(CO)O1 307261222 345931715 /nfs/dbraw/zinc/93/17/15/345931715.db2.gz OXSZZJXRACENGE-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN O=c1[nH]nc(NCc2ccco2)s1 307260603 345931610 /nfs/dbraw/zinc/93/16/10/345931610.db2.gz NCGOOGURXLJGNI-UHFFFAOYSA-N 0 0 197.219 1.037 10 0 ADAERN CC(C)C1(Nc2nc(N)ns2)CC1 307260923 345931654 /nfs/dbraw/zinc/93/16/54/345931654.db2.gz UGGATVARBZUJHD-UHFFFAOYSA-N 0 0 198.295 1.721 10 0 ADAERN CC[C@H]1CC[C@](C)(CO)O1 307261221 345931678 /nfs/dbraw/zinc/93/16/78/345931678.db2.gz OXSZZJXRACENGE-JGVFFNPUSA-N 0 0 144.214 1.326 10 0 ADAERN CCC1(Nc2cnc(N)cn2)CC1 307261171 345931695 /nfs/dbraw/zinc/93/16/95/345931695.db2.gz UTBCXKVVGWKYKN-UHFFFAOYSA-N 0 0 178.239 1.413 10 0 ADAERN COc1nc([Si](C)(C)C)cs1 307260512 345931722 /nfs/dbraw/zinc/93/17/22/345931722.db2.gz SSZNKRCAQALJMZ-UHFFFAOYSA-N 0 0 187.340 1.697 10 0 ADAERN CS[C@H]1CCC[C@@H]1n1cnc(N)n1 307261829 345931847 /nfs/dbraw/zinc/93/18/47/345931847.db2.gz QRGWXVQSEZSCFH-BQBZGAKWSA-N 0 0 198.295 1.317 10 0 ADAERN CS[C@H]1CCC[C@H]1n1cnc(N)n1 307261832 345931898 /nfs/dbraw/zinc/93/18/98/345931898.db2.gz QRGWXVQSEZSCFH-RQJHMYQMSA-N 0 0 198.295 1.317 10 0 ADAERN CONC(=O)Nc1ccncc1C 307261638 345932076 /nfs/dbraw/zinc/93/20/76/345932076.db2.gz QAICUDDSRHGANR-UHFFFAOYSA-N 0 0 181.195 1.073 10 0 ADAERN CS[C@@H]1CCC[C@H]1n1cnc(N)n1 307261831 345932152 /nfs/dbraw/zinc/93/21/52/345932152.db2.gz QRGWXVQSEZSCFH-RNFRBKRXSA-N 0 0 198.295 1.317 10 0 ADAERN CS[C@@H]1CCC[C@@H]1n1cnc(N)n1 307261830 345932162 /nfs/dbraw/zinc/93/21/62/345932162.db2.gz QRGWXVQSEZSCFH-NKWVEPMBSA-N 0 0 198.295 1.317 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)N1CCCC1 307262232 345932544 /nfs/dbraw/zinc/93/25/44/345932544.db2.gz WNJMAMRUHPAGGY-IUCAKERBSA-N 0 0 182.267 1.590 10 0 ADAERN Nc1nc(Cl)cc(NCCF)n1 307262888 345932551 /nfs/dbraw/zinc/93/25/51/345932551.db2.gz AEGSJABTXRPNCY-UHFFFAOYSA-N 0 0 190.609 1.094 10 0 ADAERN Cn1nccc1Cn1ccc(Cl)n1 307262314 345932616 /nfs/dbraw/zinc/93/26/16/345932616.db2.gz RXTKYRGAFGTGFZ-UHFFFAOYSA-N 0 0 196.641 1.318 10 0 ADAERN Cc1nc(N)nn1[C@@H](C)C(C)C 307262373 345932639 /nfs/dbraw/zinc/93/26/39/345932639.db2.gz SKCDHNMKSWSBBM-LURJTMIESA-N 0 0 168.244 1.386 10 0 ADAERN C[C@@H](NC1CSC1)C(F)F 307262347 345932649 /nfs/dbraw/zinc/93/26/49/345932649.db2.gz SEYKRMQPTKGHNK-SCSAIBSYSA-N 0 0 167.224 1.345 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)N1CCCC1 307262231 345932699 /nfs/dbraw/zinc/93/26/99/345932699.db2.gz WNJMAMRUHPAGGY-DTWKUNHWSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1sccc1CNN(C)C 307262891 345932701 /nfs/dbraw/zinc/93/27/01/345932701.db2.gz AGAAMOLHDUHRGQ-UHFFFAOYSA-N 0 0 170.281 1.623 10 0 ADAERN Cc1cnc(N[C@@H]2CC[C@H]2C)nc1 307263119 345932751 /nfs/dbraw/zinc/93/27/51/345932751.db2.gz XZUSLVBSXVPXMT-RKDXNWHRSA-N 0 0 177.251 1.995 10 0 ADAERN CC(C)(C)C(C)(C)N1C(=O)C=CC1=O 307263101 345932775 /nfs/dbraw/zinc/93/27/75/345932775.db2.gz XWXXNKCVTDXSKG-UHFFFAOYSA-N 0 0 195.262 1.736 10 0 ADAERN C[C@H](NC1CSC1)C(F)F 307262346 345932784 /nfs/dbraw/zinc/93/27/84/345932784.db2.gz SEYKRMQPTKGHNK-BYPYZUCNSA-N 0 0 167.224 1.345 10 0 ADAERN Cc1cnc(N[C@@H]2CC[C@@H]2C)nc1 307263117 345932796 /nfs/dbraw/zinc/93/27/96/345932796.db2.gz XZUSLVBSXVPXMT-DTWKUNHWSA-N 0 0 177.251 1.995 10 0 ADAERN CN(C#N)C(=O)c1cccs1 307263371 345933373 /nfs/dbraw/zinc/93/33/73/345933373.db2.gz VIIULSIXZOYQQV-UHFFFAOYSA-N 0 0 166.205 1.301 10 0 ADAERN CC1(C)NC(=O)C[C@]12CCOC2(C)C 307263812 345933422 /nfs/dbraw/zinc/93/34/22/345933422.db2.gz WKQKCVHWNYIFDF-LLVKDONJSA-N 0 0 197.278 1.470 10 0 ADAERN COc1ccc([C@H](F)C[NH3+])s1 307264305 345933618 /nfs/dbraw/zinc/93/36/18/345933618.db2.gz FIVUSYXXMRBSQO-RXMQYKEDSA-N 0 0 175.228 1.726 10 0 ADAERN C[NH2+]C(C)(C)[C@H](F)c1cnn(C)c1 307264290 345933671 /nfs/dbraw/zinc/93/36/71/345933671.db2.gz BPIPNSKDKVFYAI-MRVPVSSYSA-N 0 0 185.246 1.429 10 0 ADAERN CC1(C)NC(=O)C[C@@]12CCOC2(C)C 307263813 345933692 /nfs/dbraw/zinc/93/36/92/345933692.db2.gz WKQKCVHWNYIFDF-NSHDSACASA-N 0 0 197.278 1.470 10 0 ADAERN C[C@@H]1OC(=O)N[C@@H]1c1ccc(O)cc1 307264420 345933810 /nfs/dbraw/zinc/93/38/10/345933810.db2.gz KAWNRBIVNMRXAM-RCOVLWMOSA-N 0 0 193.202 1.562 10 0 ADAERN COc1ccc([C@@H](F)C[NH3+])s1 307264310 345933806 /nfs/dbraw/zinc/93/38/06/345933806.db2.gz FIVUSYXXMRBSQO-YFKPBYRVSA-N 0 0 175.228 1.726 10 0 ADAERN C[NH2+]C(C)(C)[C@@H](F)c1cnn(C)c1 307264292 345933938 /nfs/dbraw/zinc/93/39/38/345933938.db2.gz BPIPNSKDKVFYAI-QMMMGPOBSA-N 0 0 185.246 1.429 10 0 ADAERN CC(=O)c1cccc(N2CCC2)n1 307264453 345933987 /nfs/dbraw/zinc/93/39/87/345933987.db2.gz BOEHHEHUXNGGKA-UHFFFAOYSA-N 0 0 176.219 1.494 10 0 ADAERN CC[C@@]1(C)CCN(C(N)=S)C1 307265100 345934367 /nfs/dbraw/zinc/93/43/67/345934367.db2.gz XYEBJRHIXFGTDO-QMMMGPOBSA-N 0 0 172.297 1.352 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@H]2CCC[NH2+][C@@H]21 307265481 345934377 /nfs/dbraw/zinc/93/43/77/345934377.db2.gz DXSDEPIBCSGING-YIZRAAEISA-N 0 0 183.251 1.239 10 0 ADAERN Cc1cc([C@H](N)c2cn[nH]c2)sn1 307265345 345934382 /nfs/dbraw/zinc/93/43/82/345934382.db2.gz DSDXMUGIRCZFII-MRVPVSSYSA-N 0 0 194.263 1.223 10 0 ADAERN O=C1CSC(c2ccncn2)=N1 307264837 345934393 /nfs/dbraw/zinc/93/43/93/345934393.db2.gz CUDZCMBTTQWXCY-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]2CCC[NH2+][C@@H]21 307265479 345934405 /nfs/dbraw/zinc/93/44/05/345934405.db2.gz DXSDEPIBCSGING-HLTSFMKQSA-N 0 0 183.251 1.239 10 0 ADAERN O=C([O-])[C@@H]1CCC[C@@H]2CCC[NH2+][C@H]21 307265480 345934414 /nfs/dbraw/zinc/93/44/14/345934414.db2.gz DXSDEPIBCSGING-IWSPIJDZSA-N 0 0 183.251 1.239 10 0 ADAERN Cc1cc([C@@H](N)c2cn[nH]c2)sn1 307265346 345934474 /nfs/dbraw/zinc/93/44/74/345934474.db2.gz DSDXMUGIRCZFII-QMMMGPOBSA-N 0 0 194.263 1.223 10 0 ADAERN CC[C@@H]1CC[C@]2(CNC(=O)[C@@H]2C)C1 307264672 345934518 /nfs/dbraw/zinc/93/45/18/345934518.db2.gz KDDXJVKOTWRMFI-IQJOONFLSA-N 0 0 181.279 1.949 10 0 ADAERN CC[C@@H]1CC[C@@]2(CNC(=O)[C@H]2C)C1 307264674 345934603 /nfs/dbraw/zinc/93/46/03/345934603.db2.gz KDDXJVKOTWRMFI-KKZNHRDASA-N 0 0 181.279 1.949 10 0 ADAERN CNC(=O)NCC1CCCCCC1 307265524 345934624 /nfs/dbraw/zinc/93/46/24/345934624.db2.gz FDSXJOJCGWGNMO-UHFFFAOYSA-N 0 0 184.283 1.886 10 0 ADAERN Cc1ccc(C)c(C(N)=O)c1F 307265916 345935023 /nfs/dbraw/zinc/93/50/23/345935023.db2.gz FPYOTEHWTGNKQA-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN CC(C)C(O)(c1cnnn1C)C(C)C 307265814 345935046 /nfs/dbraw/zinc/93/50/46/345935046.db2.gz GGCGPLVVKUZMKB-UHFFFAOYSA-N 0 0 197.282 1.315 10 0 ADAERN CC(C)(NC=O)C1CCC1 307265587 345935104 /nfs/dbraw/zinc/93/51/04/345935104.db2.gz YKLVLZWFIOOGFQ-UHFFFAOYSA-N 0 0 141.214 1.311 10 0 ADAERN Cn1c(=S)[nH]c2cncc(Cl)c21 307266077 345935161 /nfs/dbraw/zinc/93/51/61/345935161.db2.gz ZBJVZZVIHIHYOT-UHFFFAOYSA-N 0 0 199.666 1.910 10 0 ADAERN Cc1nc(N)cc(-c2ccns2)n1 307266776 345935480 /nfs/dbraw/zinc/93/54/80/345935480.db2.gz KYDDCHISZDTWBB-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@H]1Cc2[nH]c(=O)ncc2[C@H](C)C1 307266543 345935581 /nfs/dbraw/zinc/93/55/81/345935581.db2.gz DHPIVNCJHMOLSB-RNFRBKRXSA-N 0 0 178.235 1.868 10 0 ADAERN Cc1noc(C)c1C(C)(C)C(N)=O 307266395 345935594 /nfs/dbraw/zinc/93/55/94/345935594.db2.gz CRKBEIORBFKCIH-UHFFFAOYSA-N 0 0 182.223 1.054 10 0 ADAERN C[C@@H]1Cc2[nH]c(=O)ncc2[C@H](C)C1 307266540 345935639 /nfs/dbraw/zinc/93/56/39/345935639.db2.gz DHPIVNCJHMOLSB-NKWVEPMBSA-N 0 0 178.235 1.868 10 0 ADAERN CN(C(N)=O)C1CC(C)(C)C1 307266671 345935696 /nfs/dbraw/zinc/93/56/96/345935696.db2.gz KVSWZXMABHBJLF-UHFFFAOYSA-N 0 0 156.229 1.186 10 0 ADAERN C[C@@H]1Cc2[nH]c(=O)ncc2[C@@H](C)C1 307266538 345935808 /nfs/dbraw/zinc/93/58/08/345935808.db2.gz DHPIVNCJHMOLSB-BQBZGAKWSA-N 0 0 178.235 1.868 10 0 ADAERN C[C@H]1C[C@@H](C)Cc2[nH]c(=O)ncc21 307266545 345935829 /nfs/dbraw/zinc/93/58/29/345935829.db2.gz DHPIVNCJHMOLSB-RQJHMYQMSA-N 0 0 178.235 1.868 10 0 ADAERN C[C@H]1CN[C@@H](c2cn(C)cn2)S1 307267293 345936052 /nfs/dbraw/zinc/93/60/52/345936052.db2.gz IHMVZITXGJJJKX-POYBYMJQSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CN[C@H](c2cn(C)cn2)S1 307267294 345936141 /nfs/dbraw/zinc/93/61/41/345936141.db2.gz IHMVZITXGJJJKX-SVRRBLITSA-N 0 0 183.280 1.144 10 0 ADAERN CSC(C)(C)c1nsc(N)n1 307267547 345936227 /nfs/dbraw/zinc/93/62/27/345936227.db2.gz IVQDIWCUUDTRQI-UHFFFAOYSA-N 0 0 189.309 1.718 10 0 ADAERN C[C@H]1CSC[C@@]1(O)C1=CCCO1 307267312 345936242 /nfs/dbraw/zinc/93/62/42/345936242.db2.gz IKPFFZINSFOJSF-CBAPKCEASA-N 0 0 186.276 1.405 10 0 ADAERN C[C@H]1CN[C@H](c2cn(C)cn2)S1 307267295 345936254 /nfs/dbraw/zinc/93/62/54/345936254.db2.gz IHMVZITXGJJJKX-XPUUQOCRSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)Nc1csnn1 307267878 345936268 /nfs/dbraw/zinc/93/62/68/345936268.db2.gz FMZQFMKTQLJVGB-CRCLSJGQSA-N 0 0 198.251 1.068 10 0 ADAERN N#CNCC(F)(F)Br 307267472 345936296 /nfs/dbraw/zinc/93/62/96/345936296.db2.gz FCXPMXIFHXMSGR-UHFFFAOYSA-N 0 0 184.971 1.045 10 0 ADAERN C[C@@H]1CN[C@@H](c2cn(C)cn2)S1 307267292 345936299 /nfs/dbraw/zinc/93/62/99/345936299.db2.gz IHMVZITXGJJJKX-HTRCEHHLSA-N 0 0 183.280 1.144 10 0 ADAERN C[C@@H]1CSC[C@@]1(O)C1=CCCO1 307267311 345936307 /nfs/dbraw/zinc/93/63/07/345936307.db2.gz IKPFFZINSFOJSF-APPZFPTMSA-N 0 0 186.276 1.405 10 0 ADAERN O=C(c1ccncn1)c1cscn1 307267737 345936310 /nfs/dbraw/zinc/93/63/10/345936310.db2.gz FDTWMNOLBJXIRL-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN C[C@@H]1CSC[C@]1(O)C1=CCCO1 307267314 345936318 /nfs/dbraw/zinc/93/63/18/345936318.db2.gz IKPFFZINSFOJSF-VXNVDRBHSA-N 0 0 186.276 1.405 10 0 ADAERN C[C@H]1CSC[C@]1(O)C1=CCCO1 307267313 345936377 /nfs/dbraw/zinc/93/63/77/345936377.db2.gz IKPFFZINSFOJSF-IONNQARKSA-N 0 0 186.276 1.405 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)Nc1csnn1 307267880 345936597 /nfs/dbraw/zinc/93/65/97/345936597.db2.gz FMZQFMKTQLJVGB-UHNVWZDZSA-N 0 0 198.251 1.068 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)Nc1csnn1 307267879 345936602 /nfs/dbraw/zinc/93/66/02/345936602.db2.gz FMZQFMKTQLJVGB-RFZPGFLSSA-N 0 0 198.251 1.068 10 0 ADAERN C[C@@H]1C[C@H](n2cc[nH]c2=S)[C@@H](C)O1 307268088 345936613 /nfs/dbraw/zinc/93/66/13/345936613.db2.gz FJGHTSSYXNSRLH-PRJMDXOYSA-N 0 0 198.291 1.910 10 0 ADAERN CCc1nc(C)c(OC)c(=O)[nH]1 307267912 345936616 /nfs/dbraw/zinc/93/66/16/345936616.db2.gz FQMYNOSDTCKYHI-UHFFFAOYSA-N 0 0 168.196 1.062 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1n1cc[nH]c1=S 307268071 345936626 /nfs/dbraw/zinc/93/66/26/345936626.db2.gz FJGHTSSYXNSRLH-GJMOJQLCSA-N 0 0 198.291 1.910 10 0 ADAERN C[C@@H]1C[C@@H](n2cc[nH]c2=S)[C@@H](C)O1 307268068 345936665 /nfs/dbraw/zinc/93/66/65/345936665.db2.gz FJGHTSSYXNSRLH-BWZBUEFSSA-N 0 0 198.291 1.910 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Nc1csnn1 307267881 345936669 /nfs/dbraw/zinc/93/66/69/345936669.db2.gz FMZQFMKTQLJVGB-WHFBIAKZSA-N 0 0 198.251 1.068 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1n1cc[nH]c1=S 307268069 345936679 /nfs/dbraw/zinc/93/66/79/345936679.db2.gz FJGHTSSYXNSRLH-CSMHCCOUSA-N 0 0 198.291 1.910 10 0 ADAERN CC1(C)CC[C@H]1Nc1nnc(N)o1 307269085 345936926 /nfs/dbraw/zinc/93/69/26/345936926.db2.gz MFUMYBNMGAFMAG-RXMQYKEDSA-N 0 0 182.227 1.252 10 0 ADAERN FC(F)CNc1cnc(Cl)cn1 307269653 345937006 /nfs/dbraw/zinc/93/70/06/345937006.db2.gz NJCITNQHFWKYJD-UHFFFAOYSA-N 0 0 193.584 1.807 10 0 ADAERN C[C@@H]1[C@@H](n2cnc(N)n2)CC[C@H]1C 307269072 345937012 /nfs/dbraw/zinc/93/70/12/345937012.db2.gz MJQVWUXPDCLLTC-CSMHCCOUSA-N 0 0 180.255 1.467 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CC[C@@H]1C[C@@H]12 307269025 345937045 /nfs/dbraw/zinc/93/70/45/345937045.db2.gz MJJSAEDRFZYHLB-BDNRQGISSA-N 0 0 165.236 1.169 10 0 ADAERN CC(C)ON1CCC(=O)C[C@@H]1C 307269701 345937081 /nfs/dbraw/zinc/93/70/81/345937081.db2.gz HEHGYTPABAWDKX-QMMMGPOBSA-N 0 0 171.240 1.380 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CC[C@H]1C[C@H]12 307269028 345937130 /nfs/dbraw/zinc/93/71/30/345937130.db2.gz MJJSAEDRFZYHLB-IBCQBUCCSA-N 0 0 165.236 1.169 10 0 ADAERN C[C@@H]1CC[C@@H](n2cnc(N)n2)[C@@H]1C 307269065 345937135 /nfs/dbraw/zinc/93/71/35/345937135.db2.gz MJQVWUXPDCLLTC-BWZBUEFSSA-N 0 0 180.255 1.467 10 0 ADAERN C[C@H]1[C@H](C)CC[C@H]1n1cnc(N)n1 307269079 345937156 /nfs/dbraw/zinc/93/71/56/345937156.db2.gz MJQVWUXPDCLLTC-GJMOJQLCSA-N 0 0 180.255 1.467 10 0 ADAERN C[C@@H]1CC[C@H](n2cnc(N)n2)[C@@H]1C 307269086 345937196 /nfs/dbraw/zinc/93/71/96/345937196.db2.gz MJQVWUXPDCLLTC-PRJMDXOYSA-N 0 0 180.255 1.467 10 0 ADAERN CC(C)ON1CCC(=O)C[C@H]1C 307269695 345937220 /nfs/dbraw/zinc/93/72/20/345937220.db2.gz HEHGYTPABAWDKX-MRVPVSSYSA-N 0 0 171.240 1.380 10 0 ADAERN CC1(C)CC[C@@H]1Nc1nnc(N)o1 307269087 345937231 /nfs/dbraw/zinc/93/72/31/345937231.db2.gz MFUMYBNMGAFMAG-YFKPBYRVSA-N 0 0 182.227 1.252 10 0 ADAERN Cc1c[nH]c(-c2coc(C)n2)n1 307269254 345937242 /nfs/dbraw/zinc/93/72/42/345937242.db2.gz GROSYUBAIDMPNT-UHFFFAOYSA-N 0 0 163.180 1.682 10 0 ADAERN CCNC(=S)Nc1cnc(C)nc1 307270772 345937739 /nfs/dbraw/zinc/93/77/39/345937739.db2.gz HZICCOJICGJGIR-UHFFFAOYSA-N 0 0 196.279 1.091 10 0 ADAERN O[C@H](C1=COCC1)[C@H]1CCCOC1 307269815 345937657 /nfs/dbraw/zinc/93/76/57/345937657.db2.gz OBOBBWLUJFCYRG-WPRPVWTQSA-N 0 0 184.235 1.078 10 0 ADAERN O[C@@H](C1=COCC1)[C@H]1CCCOC1 307269814 345937722 /nfs/dbraw/zinc/93/77/22/345937722.db2.gz OBOBBWLUJFCYRG-WCBMZHEXSA-N 0 0 184.235 1.078 10 0 ADAERN CCC1(NC2=[NH+]CCS2)CC1 307270478 345937753 /nfs/dbraw/zinc/93/77/53/345937753.db2.gz HRDKJJQQRUQZGU-UHFFFAOYSA-N 0 0 170.281 1.621 10 0 ADAERN Cn1ccc([C@@H]2[NH2+]CC2(C)C)n1 307269872 345937765 /nfs/dbraw/zinc/93/77/65/345937765.db2.gz OLALWBDATSHGGQ-QMMMGPOBSA-N 0 0 165.240 1.091 10 0 ADAERN O[C@@H](C1=COCC1)[C@@H]1CCCOC1 307269812 345937795 /nfs/dbraw/zinc/93/77/95/345937795.db2.gz OBOBBWLUJFCYRG-PSASIEDQSA-N 0 0 184.235 1.078 10 0 ADAERN O[C@H](C1=COCC1)[C@@H]1CCCOC1 307269813 345937859 /nfs/dbraw/zinc/93/78/59/345937859.db2.gz OBOBBWLUJFCYRG-SCZZXKLOSA-N 0 0 184.235 1.078 10 0 ADAERN Cn1ccc([C@H]2[NH2+]CC2(C)C)n1 307269871 345937897 /nfs/dbraw/zinc/93/78/97/345937897.db2.gz OLALWBDATSHGGQ-MRVPVSSYSA-N 0 0 165.240 1.091 10 0 ADAERN Nc1cc(CCC2CC2)no1 307271489 345938320 /nfs/dbraw/zinc/93/83/20/345938320.db2.gz NLJCUGRLKVNOLO-UHFFFAOYSA-N 0 0 152.197 1.599 10 0 ADAERN CC(C)n1ncnc1[C@@H]1CC[C@H](O)C1 307270962 345938387 /nfs/dbraw/zinc/93/83/87/345938387.db2.gz AUEWOXOECPQBCH-BDAKNGLRSA-N 0 0 195.266 1.487 10 0 ADAERN O=c1cc(C(F)(F)F)c(F)c[nH]1 307271080 345938413 /nfs/dbraw/zinc/93/84/13/345938413.db2.gz QXVVEJMBYCFOHF-UHFFFAOYSA-N 0 0 181.088 1.945 10 0 ADAERN CC(C)n1ncnc1[C@@H]1CC[C@@H](O)C1 307270965 345938437 /nfs/dbraw/zinc/93/84/37/345938437.db2.gz AUEWOXOECPQBCH-RKDXNWHRSA-N 0 0 195.266 1.487 10 0 ADAERN CC(C)n1ncnc1[C@H]1CC[C@@H](O)C1 307270963 345938489 /nfs/dbraw/zinc/93/84/89/345938489.db2.gz AUEWOXOECPQBCH-DTWKUNHWSA-N 0 0 195.266 1.487 10 0 ADAERN CC(C)n1ncnc1[C@H]1CC[C@H](O)C1 307270964 345938512 /nfs/dbraw/zinc/93/85/12/345938512.db2.gz AUEWOXOECPQBCH-IUCAKERBSA-N 0 0 195.266 1.487 10 0 ADAERN NC(=S)Nc1cncc(Cl)c1 307272018 345939031 /nfs/dbraw/zinc/93/90/31/345939031.db2.gz SNDAZDWVVLEDAX-UHFFFAOYSA-N 0 0 187.655 1.391 10 0 ADAERN C[C@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]2C)O1 307273276 345939710 /nfs/dbraw/zinc/93/97/10/345939710.db2.gz VZWBOIFOXHNRAF-XGEHTFHBSA-N 0 0 183.251 1.079 10 0 ADAERN Fc1nccc(OC(F)F)c1F 307273682 345939716 /nfs/dbraw/zinc/93/97/16/345939716.db2.gz JSUDLDMWZAQEMK-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN C=C(Cl)C(=O)NC/C=C/C 307273098 345939822 /nfs/dbraw/zinc/93/98/22/345939822.db2.gz OFBCOCHVCQCKRK-ONEGZZNKSA-N 0 0 159.616 1.431 10 0 ADAERN S=c1[nH]ccn1Cc1cnns1 307273348 345939837 /nfs/dbraw/zinc/93/98/37/345939837.db2.gz OJYZFMSNMXNUMY-UHFFFAOYSA-N 0 0 198.276 1.072 10 0 ADAERN O=C(c1ccncc1)c1ccns1 307273628 345939838 /nfs/dbraw/zinc/93/98/38/345939838.db2.gz OPERXPPBDCLEQD-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN Cc1ccncc1[C@@H]1NC(=O)C1(C)C 307273995 345940441 /nfs/dbraw/zinc/94/04/41/345940441.db2.gz LKWQETAXFPZPTP-VIFPVBQESA-N 0 0 190.246 1.587 10 0 ADAERN Cc1cnn([C@H]2CCC[C@]2(C)O)c1 307274627 345940720 /nfs/dbraw/zinc/94/07/20/345940720.db2.gz NZHBNILGZMAKOC-UWVGGRQHSA-N 0 0 180.251 1.668 10 0 ADAERN C[C@H]1COCC[C@]1(O)c1ccc[nH]1 307274529 345940726 /nfs/dbraw/zinc/94/07/26/345940726.db2.gz NJPPAVAQBYQGQQ-WCBMZHEXSA-N 0 0 181.235 1.259 10 0 ADAERN C[C@]1([C@H](O)c2cnccn2)C[C@H]1F 307275236 345940750 /nfs/dbraw/zinc/94/07/50/345940750.db2.gz PGIIGDOTIQSBTI-HLTSFMKQSA-N 0 0 182.198 1.258 10 0 ADAERN C[C@H]1COCC[C@@]1(O)c1ccc[nH]1 307274530 345940774 /nfs/dbraw/zinc/94/07/74/345940774.db2.gz NJPPAVAQBYQGQQ-WPRPVWTQSA-N 0 0 181.235 1.259 10 0 ADAERN C[C@@H]1COCC[C@]1(O)c1ccc[nH]1 307274526 345940799 /nfs/dbraw/zinc/94/07/99/345940799.db2.gz NJPPAVAQBYQGQQ-PSASIEDQSA-N 0 0 181.235 1.259 10 0 ADAERN C[C@]1([C@@H](O)c2cnccn2)C[C@@H]1F 307275235 345940838 /nfs/dbraw/zinc/94/08/38/345940838.db2.gz PGIIGDOTIQSBTI-CIUDSAMLSA-N 0 0 182.198 1.258 10 0 ADAERN C[C@]1([C@H](O)c2cnccn2)C[C@@H]1F 307275238 345940941 /nfs/dbraw/zinc/94/09/41/345940941.db2.gz PGIIGDOTIQSBTI-YIZRAAEISA-N 0 0 182.198 1.258 10 0 ADAERN Cc1cnn([C@@H]2CCC[C@]2(C)O)c1 307274709 345940962 /nfs/dbraw/zinc/94/09/62/345940962.db2.gz NZHBNILGZMAKOC-ZJUUUORDSA-N 0 0 180.251 1.668 10 0 ADAERN Cc1cnn([C@H]2CCC[C@@]2(C)O)c1 307274628 345941032 /nfs/dbraw/zinc/94/10/32/345941032.db2.gz NZHBNILGZMAKOC-VHSXEESVSA-N 0 0 180.251 1.668 10 0 ADAERN CC1(C)OCC[C@@H]1N1CN=NC1=S 307274994 345941088 /nfs/dbraw/zinc/94/10/88/345941088.db2.gz PKEOGPHLLUNHTK-LURJTMIESA-N 0 0 199.279 1.307 10 0 ADAERN CC1(C)OCC[C@H]1N1CN=NC1=S 307274995 345941160 /nfs/dbraw/zinc/94/11/60/345941160.db2.gz PKEOGPHLLUNHTK-ZCFIWIBFSA-N 0 0 199.279 1.307 10 0 ADAERN Cc1cnn([C@@H]2CCC[C@@]2(C)O)c1 307274626 345941188 /nfs/dbraw/zinc/94/11/88/345941188.db2.gz NZHBNILGZMAKOC-NXEZZACHSA-N 0 0 180.251 1.668 10 0 ADAERN C[C@@H]1COCC[C@@]1(O)c1ccc[nH]1 307274528 345941208 /nfs/dbraw/zinc/94/12/08/345941208.db2.gz NJPPAVAQBYQGQQ-SCZZXKLOSA-N 0 0 181.235 1.259 10 0 ADAERN C[C@@H](Nc1ncccn1)C(F)(F)F 307275715 345941684 /nfs/dbraw/zinc/94/16/84/345941684.db2.gz SEUNUPZRWHWSFD-RXMQYKEDSA-N 0 0 191.156 1.839 10 0 ADAERN CC[C@H]1NC(=O)[C@@]1(C)CC 307275605 345941467 /nfs/dbraw/zinc/94/14/67/345941467.db2.gz RMXGTANKEZYGQO-SVRRBLITSA-N 0 0 141.214 1.311 10 0 ADAERN Nc1nc2cccnc2n1CCCF 307275556 345941501 /nfs/dbraw/zinc/94/15/01/345941501.db2.gz RCWQOIGVEHYNEZ-UHFFFAOYSA-N 0 0 194.213 1.373 10 0 ADAERN C[C@H](Nc1ncccn1)C(F)(F)F 307275716 345941511 /nfs/dbraw/zinc/94/15/11/345941511.db2.gz SEUNUPZRWHWSFD-YFKPBYRVSA-N 0 0 191.156 1.839 10 0 ADAERN CC[C@@H]1CCN(c2nc(C)c[nH]2)C1 307275271 345941657 /nfs/dbraw/zinc/94/16/57/345941657.db2.gz PIJKDYXTQLOLMX-SECBINFHSA-N 0 0 179.267 1.954 10 0 ADAERN CC[C@@H]1NC(=O)[C@@]1(C)CC 307275606 345941682 /nfs/dbraw/zinc/94/16/82/345941682.db2.gz RMXGTANKEZYGQO-XPUUQOCRSA-N 0 0 141.214 1.311 10 0 ADAERN CCNC(=S)N1CCC[C@@H]2C[C@@H]21 307275335 345941717 /nfs/dbraw/zinc/94/17/17/345941717.db2.gz QIYAFJYKKZNEHJ-SFYZADRCSA-N 0 0 184.308 1.365 10 0 ADAERN CC[C@H]1CCN(c2nc(C)c[nH]2)C1 307275272 345941718 /nfs/dbraw/zinc/94/17/18/345941718.db2.gz PIJKDYXTQLOLMX-VIFPVBQESA-N 0 0 179.267 1.954 10 0 ADAERN CC[C@@H]1NC(=O)[C@]1(C)CC 307275604 345941721 /nfs/dbraw/zinc/94/17/21/345941721.db2.gz RMXGTANKEZYGQO-POYBYMJQSA-N 0 0 141.214 1.311 10 0 ADAERN Cc1cc(C)c(C(N)=O)cc1O 307275912 345941727 /nfs/dbraw/zinc/94/17/27/345941727.db2.gz SQRHTXGOMAVFFL-UHFFFAOYSA-N 0 0 165.192 1.108 10 0 ADAERN CC[C@H]1NC(=O)[C@]1(C)CC 307275603 345941738 /nfs/dbraw/zinc/94/17/38/345941738.db2.gz RMXGTANKEZYGQO-HTRCEHHLSA-N 0 0 141.214 1.311 10 0 ADAERN O=C1N[C@@H]([C@H]2CCCOC2)C12CCC2 307277037 345942264 /nfs/dbraw/zinc/94/22/64/345942264.db2.gz ZAHCTDSKTWZJJV-IUCAKERBSA-N 0 0 195.262 1.082 10 0 ADAERN Nc1cc(Cc2ccns2)ccn1 307276441 345942329 /nfs/dbraw/zinc/94/23/29/345942329.db2.gz QNZFIHFGOWUIPV-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN O=C1N[C@@H]([C@@H]2CCCOC2)C12CCC2 307277035 345942374 /nfs/dbraw/zinc/94/23/74/345942374.db2.gz ZAHCTDSKTWZJJV-BDAKNGLRSA-N 0 0 195.262 1.082 10 0 ADAERN O=C1N[C@H]([C@@H]2CCCOC2)C12CCC2 307277038 345942396 /nfs/dbraw/zinc/94/23/96/345942396.db2.gz ZAHCTDSKTWZJJV-RKDXNWHRSA-N 0 0 195.262 1.082 10 0 ADAERN Cc1ncccc1Cn1nccc1C 307277017 345942401 /nfs/dbraw/zinc/94/24/01/345942401.db2.gz YWFHEYPAJHUOAS-UHFFFAOYSA-N 0 0 187.246 1.943 10 0 ADAERN O=C1N[C@H]([C@H]2CCCOC2)C12CCC2 307277036 345942435 /nfs/dbraw/zinc/94/24/35/345942435.db2.gz ZAHCTDSKTWZJJV-DTWKUNHWSA-N 0 0 195.262 1.082 10 0 ADAERN COCc1[nH+]c(C(C)C)n(C)c1N 307276551 345942445 /nfs/dbraw/zinc/94/24/45/345942445.db2.gz WVPNMTLEDXQNBK-UHFFFAOYSA-N 0 0 183.255 1.272 10 0 ADAERN c1cc(NCc2cocn2)ncn1 307278378 345942943 /nfs/dbraw/zinc/94/29/43/345942943.db2.gz UHYDNFGXAXCLDA-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN OC[C@H]1CC=C[C@H]2CCC[C@@H]21 307278452 345942947 /nfs/dbraw/zinc/94/29/47/345942947.db2.gz UOXVPOFUDUEHEY-AEJSXWLSSA-N 0 0 152.237 1.971 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)[nH]n1 307278270 345942997 /nfs/dbraw/zinc/94/29/97/345942997.db2.gz UCXKNUHAQJRXMX-WHFBIAKZSA-N 0 0 199.641 1.658 10 0 ADAERN CC(C)C(=O)c1ccns1 307278619 345943126 /nfs/dbraw/zinc/94/31/26/345943126.db2.gz UZKSRQPSMWIGQT-UHFFFAOYSA-N 0 0 155.222 1.982 10 0 ADAERN CC1CC2(CNC(=O)[C@H]2C)C1 307278652 345943532 /nfs/dbraw/zinc/94/35/32/345943532.db2.gz VBAMOLQDPHYCFF-KDIYEYIXSA-N 0 0 153.225 1.169 10 0 ADAERN O=C(c1ccns1)[C@H]1CCCCN1 307278705 345943545 /nfs/dbraw/zinc/94/35/45/345943545.db2.gz VESOXHFGVCRARQ-SSDOTTSWSA-N 0 0 196.275 1.468 10 0 ADAERN CC1CC2(CNC(=O)[C@@H]2C)C1 307278651 345943727 /nfs/dbraw/zinc/94/37/27/345943727.db2.gz VBAMOLQDPHYCFF-CRMOQAEOSA-N 0 0 153.225 1.169 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1ccns1 307279153 345943754 /nfs/dbraw/zinc/94/37/54/345943754.db2.gz WJNBEFUFISPOLA-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CCNC(=S)NC1CC(C)(C)C1 307279253 345943786 /nfs/dbraw/zinc/94/37/86/345943786.db2.gz WOJBHERFZCYVGD-UHFFFAOYSA-N 0 0 186.324 1.659 10 0 ADAERN O=C(c1ccns1)[C@@H]1CCCCN1 307278706 345943788 /nfs/dbraw/zinc/94/37/88/345943788.db2.gz VESOXHFGVCRARQ-ZETCQYMHSA-N 0 0 196.275 1.468 10 0 ADAERN CC(C)NC1(C(F)F)CC1 307281317 345944770 /nfs/dbraw/zinc/94/47/70/345944770.db2.gz FWEWKFJXUICZDT-UHFFFAOYSA-N 0 0 149.184 1.782 10 0 ADAERN CCN(C)c1cnc(Cl)cn1 307279955 345944208 /nfs/dbraw/zinc/94/42/08/345944208.db2.gz XZTODISROJGSFL-UHFFFAOYSA-N 0 0 171.631 1.586 10 0 ADAERN C1=C(CNc2cccnn2)CCOC1 307280564 345944281 /nfs/dbraw/zinc/94/42/81/345944281.db2.gz ZIVIICPDWXIYKQ-UHFFFAOYSA-N 0 0 191.234 1.235 10 0 ADAERN CNc1ncc(CC2CC2)cn1 307280666 345944332 /nfs/dbraw/zinc/94/43/32/345944332.db2.gz ZLSYVKJQTPSTGB-UHFFFAOYSA-N 0 0 163.224 1.471 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1N1CN=NC1=S 307281412 345944743 /nfs/dbraw/zinc/94/47/43/345944743.db2.gz JTXROLPEFIOZRH-DSYKOEDSSA-N 0 0 199.279 1.305 10 0 ADAERN NCc1nnc(C2CC(F)(F)C2)o1 307281405 345944816 /nfs/dbraw/zinc/94/48/16/345944816.db2.gz CGSSQUSWQAWWFH-UHFFFAOYSA-N 0 0 189.165 1.041 10 0 ADAERN Cn1c(=S)[nH]c2cc(F)cnc21 307281176 345944934 /nfs/dbraw/zinc/94/49/34/345944934.db2.gz ALQSQWZMPZQRJB-UHFFFAOYSA-N 0 0 183.211 1.396 10 0 ADAERN C[C@@H]1C[C@H](N2CN=NC2=S)[C@@H](C)O1 307281414 345944953 /nfs/dbraw/zinc/94/49/53/345944953.db2.gz JTXROLPEFIOZRH-QYNIQEEDSA-N 0 0 199.279 1.305 10 0 ADAERN Nc1cncc(Cl)c1N1CCCO1 307281373 345945046 /nfs/dbraw/zinc/94/50/46/345945046.db2.gz GAVUMRBAZRZKQV-UHFFFAOYSA-N 0 0 199.641 1.459 10 0 ADAERN C[C@@H]1C[C@@H](N2CN=NC2=S)[C@@H](C)O1 307281413 345945135 /nfs/dbraw/zinc/94/51/35/345945135.db2.gz JTXROLPEFIOZRH-FSDSQADBSA-N 0 0 199.279 1.305 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1N1CN=NC1=S 307281415 345945139 /nfs/dbraw/zinc/94/51/39/345945139.db2.gz JTXROLPEFIOZRH-VQVTYTSYSA-N 0 0 199.279 1.305 10 0 ADAERN NCc1noc(C=C2CCCC2)n1 307282136 345945339 /nfs/dbraw/zinc/94/53/39/345945339.db2.gz IEHNBCBJXRYQFF-UHFFFAOYSA-N 0 0 179.223 1.486 10 0 ADAERN Cc1cnc(N[C@@H]2C[C@@H]2C)nc1C 307282460 345945427 /nfs/dbraw/zinc/94/54/27/345945427.db2.gz HKDUWIFANCFHHL-IMTBSYHQSA-N 0 0 177.251 1.914 10 0 ADAERN N#CNCC1CC(F)(F)C1 307281923 345945433 /nfs/dbraw/zinc/94/54/33/345945433.db2.gz ICSVGIHXMGJQNF-UHFFFAOYSA-N 0 0 146.140 1.102 10 0 ADAERN C[C@@H](CC(C)(C)C)NC(N)=S 307281593 345945458 /nfs/dbraw/zinc/94/54/58/345945458.db2.gz HNJCLATYJHZHAC-LURJTMIESA-N 0 0 174.313 1.644 10 0 ADAERN ONc1nc(Br)cs1 307281901 345945477 /nfs/dbraw/zinc/94/54/77/345945477.db2.gz KHFXIBNFIOAKOW-UHFFFAOYSA-N 0 0 195.041 1.707 10 0 ADAERN C[C@H](CC(C)(C)C)NC(N)=S 307281594 345945546 /nfs/dbraw/zinc/94/55/46/345945546.db2.gz HNJCLATYJHZHAC-ZCFIWIBFSA-N 0 0 174.313 1.644 10 0 ADAERN C/C=C/CNc1cccnc1N 307282453 345945575 /nfs/dbraw/zinc/94/55/75/345945575.db2.gz KXEPSTHHOWXPDM-NSCUHMNNSA-N 0 0 163.224 1.652 10 0 ADAERN Cc1cnc(N[C@H]2C[C@@H]2C)nc1C 307282466 345945587 /nfs/dbraw/zinc/94/55/87/345945587.db2.gz HKDUWIFANCFHHL-RCOVLWMOSA-N 0 0 177.251 1.914 10 0 ADAERN CC1CC(NC(=O)c2ccno2)C1 307281855 345945615 /nfs/dbraw/zinc/94/56/15/345945615.db2.gz HUJZCQFCXPRENT-UHFFFAOYSA-N 0 0 180.207 1.203 10 0 ADAERN Cc1cnc(N[C@@H]2C[C@H]2C)nc1C 307282457 345945619 /nfs/dbraw/zinc/94/56/19/345945619.db2.gz HKDUWIFANCFHHL-HZGVNTEJSA-N 0 0 177.251 1.914 10 0 ADAERN Nc1cnn(CC2CCC(O)CC2)c1 307281965 345945629 /nfs/dbraw/zinc/94/56/29/345945629.db2.gz KLVYLLQBOUTNEP-UHFFFAOYSA-N 0 0 195.266 1.016 10 0 ADAERN CCn1cc(NC(=O)CSC)cn1 307283349 345945932 /nfs/dbraw/zinc/94/59/32/345945932.db2.gz JTOAEGSYJKYWIC-UHFFFAOYSA-N 0 0 199.279 1.205 10 0 ADAERN CNC(=O)c1coc(C(F)(F)F)n1 307283018 345945995 /nfs/dbraw/zinc/94/59/95/345945995.db2.gz JCJOZFAVHALARA-UHFFFAOYSA-N 0 0 194.112 1.053 10 0 ADAERN Cc1ccc([C@H]2C[C@@H]2C(N)=O)s1 307283382 345946031 /nfs/dbraw/zinc/94/60/31/345946031.db2.gz JVMMNYAGPVOBHK-BQBZGAKWSA-N 0 0 181.260 1.645 10 0 ADAERN Cc1ncn(CC(C)C)c(=O)c1C 307283371 345946084 /nfs/dbraw/zinc/94/60/84/345946084.db2.gz JVHQUAOQWVXOQC-UHFFFAOYSA-N 0 0 180.251 1.516 10 0 ADAERN Cc1ccc([C@@H]2C[C@H]2C(N)=O)s1 307283385 345946105 /nfs/dbraw/zinc/94/61/05/345946105.db2.gz JVMMNYAGPVOBHK-RNFRBKRXSA-N 0 0 181.260 1.645 10 0 ADAERN Cc1ccc([C@H]2C[C@H]2C(N)=O)s1 307283384 345946109 /nfs/dbraw/zinc/94/61/09/345946109.db2.gz JVMMNYAGPVOBHK-NKWVEPMBSA-N 0 0 181.260 1.645 10 0 ADAERN CC[C@]1(Nc2nncs2)CCOC1 307282978 345946181 /nfs/dbraw/zinc/94/61/81/345946181.db2.gz LMWWPFBCWOWZDZ-QMMMGPOBSA-N 0 0 199.279 1.519 10 0 ADAERN CC[C@@]1(Nc2nncs2)CCOC1 307282975 345946184 /nfs/dbraw/zinc/94/61/84/345946184.db2.gz LMWWPFBCWOWZDZ-MRVPVSSYSA-N 0 0 199.279 1.519 10 0 ADAERN CC1CN(C(=O)[C@H]2CC[C@@H](C)C2)C1 307283779 345946529 /nfs/dbraw/zinc/94/65/29/345946529.db2.gz IPMOQBGKPQHFGS-SCZZXKLOSA-N 0 0 181.279 1.901 10 0 ADAERN CC1(C(=O)N[C@@H]2CC[C@H]3C[C@H]32)CC1 307283594 345946532 /nfs/dbraw/zinc/94/65/32/345946532.db2.gz KGZDZQQYAGVUAC-DJLDLDEBSA-N 0 0 179.263 1.701 10 0 ADAERN CC(C)[C@H](NC=O)C1CCC1 307283790 345946596 /nfs/dbraw/zinc/94/65/96/345946596.db2.gz MMPNGGUKLGAUGR-VIFPVBQESA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)[C@@H](NC=O)C1CCC1 307283789 345946625 /nfs/dbraw/zinc/94/66/25/345946625.db2.gz MMPNGGUKLGAUGR-SECBINFHSA-N 0 0 155.241 1.557 10 0 ADAERN CC1(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]32)CC1 307283595 345946645 /nfs/dbraw/zinc/94/66/45/345946645.db2.gz KGZDZQQYAGVUAC-HRDYMLBCSA-N 0 0 179.263 1.701 10 0 ADAERN C/C=C/C(=O)N[C@H]1CC[C@H](F)C1 307284748 345947019 /nfs/dbraw/zinc/94/70/19/345947019.db2.gz NNAHYFJMXDYGRH-HZIBQTDNSA-N 0 0 171.215 1.569 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@H](F)C1 307284749 345946868 /nfs/dbraw/zinc/94/68/68/345946868.db2.gz NNAHYFJMXDYGRH-RIAPOHOLSA-N 0 0 171.215 1.569 10 0 ADAERN C[S@@](=O)Nc1ccc(O)cc1 307284486 345946874 /nfs/dbraw/zinc/94/68/74/345946874.db2.gz LEPSEVZSIFVVPO-LLVKDONJSA-N 0 0 171.221 1.098 10 0 ADAERN CC(C)n1ncnc1[C@H](O)[C@@H]1C[C@H]1C 307284618 345946880 /nfs/dbraw/zinc/94/68/80/345946880.db2.gz JPMKQCAVFYMCDW-IWSPIJDZSA-N 0 0 195.266 1.548 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@@H](F)C1 307284752 345946964 /nfs/dbraw/zinc/94/69/64/345946964.db2.gz NNAHYFJMXDYGRH-YEMZYZDBSA-N 0 0 171.215 1.569 10 0 ADAERN CC(C)n1ncnc1[C@@H](O)[C@H]1C[C@H]1C 307284619 345946986 /nfs/dbraw/zinc/94/69/86/345946986.db2.gz JPMKQCAVFYMCDW-VGMNWLOBSA-N 0 0 195.266 1.548 10 0 ADAERN CC(C)n1ncnc1[C@@H](O)[C@@H]1C[C@H]1C 307284616 345947044 /nfs/dbraw/zinc/94/70/44/345947044.db2.gz JPMKQCAVFYMCDW-HLTSFMKQSA-N 0 0 195.266 1.548 10 0 ADAERN CC(C)n1ncnc1[C@H](O)[C@H]1C[C@H]1C 307284617 345947065 /nfs/dbraw/zinc/94/70/65/345947065.db2.gz JPMKQCAVFYMCDW-HRDYMLBCSA-N 0 0 195.266 1.548 10 0 ADAERN CC(=O)N[C@@H](C)c1ccnc(Cl)c1 307284529 345947114 /nfs/dbraw/zinc/94/71/14/345947114.db2.gz LFNOQVXILLJQPZ-LURJTMIESA-N 0 0 198.653 1.932 10 0 ADAERN CCC1(c2[nH]nc(N)c2C)CC1 307284927 345947118 /nfs/dbraw/zinc/94/71/18/345947118.db2.gz LQGLAZDIUBQXLF-UHFFFAOYSA-N 0 0 165.240 1.742 10 0 ADAERN CCc1cc(NC(=O)C2CC2)no1 307284217 345947141 /nfs/dbraw/zinc/94/71/41/345947141.db2.gz JFQBEXDDKLSAME-UHFFFAOYSA-N 0 0 180.207 1.586 10 0 ADAERN CC(=O)N[C@H](C)c1ccnc(Cl)c1 307284530 345947179 /nfs/dbraw/zinc/94/71/79/345947179.db2.gz LFNOQVXILLJQPZ-ZCFIWIBFSA-N 0 0 198.653 1.932 10 0 ADAERN C[S@](=O)Nc1ccc(O)cc1 307284492 345947254 /nfs/dbraw/zinc/94/72/54/345947254.db2.gz LEPSEVZSIFVVPO-NSHDSACASA-N 0 0 171.221 1.098 10 0 ADAERN CC1(C)CN(c2nccnc2Cl)C1 307284581 345947262 /nfs/dbraw/zinc/94/72/62/345947262.db2.gz JMKCHYNGJVVKAP-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN C/C=C/C(=O)N[C@H]1CC[C@@H](F)C1 307284751 345947313 /nfs/dbraw/zinc/94/73/13/345947313.db2.gz NNAHYFJMXDYGRH-TZIBCRCASA-N 0 0 171.215 1.569 10 0 ADAERN Cc1nn(C)cc1[C@H](N)C(C)(F)F 307285238 345947584 /nfs/dbraw/zinc/94/75/84/345947584.db2.gz MGYFECCKEJWKRW-ZETCQYMHSA-N 0 0 189.209 1.384 10 0 ADAERN CNc1nc(=NN)[nH]c2ccsc12 307285314 345947638 /nfs/dbraw/zinc/94/76/38/345947638.db2.gz KLCUFMJZRXOOTN-UHFFFAOYSA-N 0 0 195.251 1.019 10 0 ADAERN Cc1nn(C)cc1[C@@H](N)C(C)(F)F 307285237 345947712 /nfs/dbraw/zinc/94/77/12/345947712.db2.gz MGYFECCKEJWKRW-SSDOTTSWSA-N 0 0 189.209 1.384 10 0 ADAERN CNC(=O)c1sccc1F 307285279 345947782 /nfs/dbraw/zinc/94/77/82/345947782.db2.gz KHKBLADHLPGKFE-UHFFFAOYSA-N 0 0 159.185 1.247 10 0 ADAERN COc1cncnc1Nn1cccc1 307286330 345948024 /nfs/dbraw/zinc/94/80/24/345948024.db2.gz QRPYMJMTXZTBPB-UHFFFAOYSA-N 0 0 190.206 1.162 10 0 ADAERN O=C(c1scnc1Cl)N1CC1 307286579 345948154 /nfs/dbraw/zinc/94/81/54/345948154.db2.gz RJDUUOAHSWRTQP-UHFFFAOYSA-N 0 0 188.639 1.252 10 0 ADAERN Cc1nc(N)ncc1CC(C)(C)C 307286268 345948227 /nfs/dbraw/zinc/94/82/27/345948227.db2.gz QJWKLHGEZUTWRP-UHFFFAOYSA-N 0 0 179.267 1.956 10 0 ADAERN Cc1c(-c2cscn2)nc[nH]c1=O 307287254 345948514 /nfs/dbraw/zinc/94/85/14/345948514.db2.gz UDUXFZGSWJDGHP-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC[C@H]1[C@H](C)NC(=O)c2cccn21 307287043 345948541 /nfs/dbraw/zinc/94/85/41/345948541.db2.gz SVKZZRXCQIYMAK-YUMQZZPRSA-N 0 0 178.235 1.571 10 0 ADAERN CC[C@@H]1[C@@H](C)NC(=O)c2cccn21 307287040 345948546 /nfs/dbraw/zinc/94/85/46/345948546.db2.gz SVKZZRXCQIYMAK-HTQZYQBOSA-N 0 0 178.235 1.571 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCS1 307287636 345948549 /nfs/dbraw/zinc/94/85/49/345948549.db2.gz VFKUARUIIQCLPY-CSMHCCOUSA-N 0 0 185.292 1.407 10 0 ADAERN C[C@H]1CCN(C(=O)NCCF)C1 307287602 345948566 /nfs/dbraw/zinc/94/85/66/345948566.db2.gz VCOOIWMSEVBQFW-ZETCQYMHSA-N 0 0 174.219 1.007 10 0 ADAERN C[C@H]1CC[C@@H]1n1cnnc1Cl 307287323 345948570 /nfs/dbraw/zinc/94/85/70/345948570.db2.gz UMQZRGRGRFHCDJ-WDSKDSINSA-N 0 0 171.631 1.903 10 0 ADAERN O[C@@]1(c2ccsn2)CCCOC1 307287313 345948582 /nfs/dbraw/zinc/94/85/82/345948582.db2.gz UMBRGMFCJYVMHR-QMMMGPOBSA-N 0 0 185.248 1.141 10 0 ADAERN C[C@@H]1CC[C@H]1n1cnnc1Cl 307287321 345948638 /nfs/dbraw/zinc/94/86/38/345948638.db2.gz UMQZRGRGRFHCDJ-PHDIDXHHSA-N 0 0 171.631 1.903 10 0 ADAERN O=C(NC1CC1)N1CCC[C@H]2C[C@H]21 307287455 345948671 /nfs/dbraw/zinc/94/86/71/345948671.db2.gz USWZJPOIQUIMEI-IONNQARKSA-N 0 0 180.251 1.343 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@@H]1C 307287896 345948700 /nfs/dbraw/zinc/94/87/00/345948700.db2.gz WCOBMYSLFLPCOY-XMYQNILUSA-N 0 0 153.225 1.477 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCS1 307287637 345948719 /nfs/dbraw/zinc/94/87/19/345948719.db2.gz VFKUARUIIQCLPY-GJMOJQLCSA-N 0 0 185.292 1.407 10 0 ADAERN CC[C@@H]1[C@H](C)NC(=O)c2cccn21 307287041 345948791 /nfs/dbraw/zinc/94/87/91/345948791.db2.gz SVKZZRXCQIYMAK-JGVFFNPUSA-N 0 0 178.235 1.571 10 0 ADAERN C/C=C/C(=O)N[C@H]1CC[C@H]1C 307287897 345948794 /nfs/dbraw/zinc/94/87/94/345948794.db2.gz WCOBMYSLFLPCOY-ZGNIKFQOSA-N 0 0 153.225 1.477 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@H]1C 307287894 345948860 /nfs/dbraw/zinc/94/88/60/345948860.db2.gz WCOBMYSLFLPCOY-ATXJSMISSA-N 0 0 153.225 1.477 10 0 ADAERN CC[C@H]1[C@@H](C)NC(=O)c2cccn21 307287042 345948874 /nfs/dbraw/zinc/94/88/74/345948874.db2.gz SVKZZRXCQIYMAK-SFYZADRCSA-N 0 0 178.235 1.571 10 0 ADAERN CC(C)NC(=O)c1cc(N)cs1 307287689 345948887 /nfs/dbraw/zinc/94/88/87/345948887.db2.gz VLRLLGSOKORCMF-UHFFFAOYSA-N 0 0 184.264 1.469 10 0 ADAERN O[C@]1(c2ccsn2)CCCOC1 307287312 345948910 /nfs/dbraw/zinc/94/89/10/345948910.db2.gz UMBRGMFCJYVMHR-MRVPVSSYSA-N 0 0 185.248 1.141 10 0 ADAERN C/C=C/C(=O)N[C@H]1CC[C@@H]1C 307287895 345948913 /nfs/dbraw/zinc/94/89/13/345948913.db2.gz WCOBMYSLFLPCOY-HENSLRDNSA-N 0 0 153.225 1.477 10 0 ADAERN NNCc1ccc2sccc2c1 307287035 345948915 /nfs/dbraw/zinc/94/89/15/345948915.db2.gz SUXJIUODRMBJIW-UHFFFAOYSA-N 0 0 178.260 1.865 10 0 ADAERN C[C@H]1CC[C@H]1n1cnnc1Cl 307287320 345948930 /nfs/dbraw/zinc/94/89/30/345948930.db2.gz UMQZRGRGRFHCDJ-NTSWFWBYSA-N 0 0 171.631 1.903 10 0 ADAERN Cn1cnc(C(=O)C(C)(C)F)c1 307287976 345949139 /nfs/dbraw/zinc/94/91/39/345949139.db2.gz AHPWCQJFLYTMFQ-UHFFFAOYSA-N 0 0 170.187 1.351 10 0 ADAERN COC(=O)Oc1ccc(N)c(C)c1 307288645 345949314 /nfs/dbraw/zinc/94/93/14/345949314.db2.gz XKCHSHPPOIKTDG-UHFFFAOYSA-N 0 0 181.191 1.722 10 0 ADAERN CNC(=O)c1cc2[nH]ccc2s1 307288823 345949317 /nfs/dbraw/zinc/94/93/17/345949317.db2.gz XPZMENMEPZJDRR-UHFFFAOYSA-N 0 0 180.232 1.589 10 0 ADAERN Cn1cc(N[C@H]2CC[C@@H]3C[C@H]23)cn1 307288481 345949430 /nfs/dbraw/zinc/94/94/30/345949430.db2.gz XCMVHBANSWXXKC-JEZHCXPESA-N 0 0 177.251 1.631 10 0 ADAERN CN(C#N)C(=O)c1ccccc1F 307288469 345949460 /nfs/dbraw/zinc/94/94/60/345949460.db2.gz XAZAMVWQPOPFOE-UHFFFAOYSA-N 0 0 178.166 1.379 10 0 ADAERN CC(C)(C)c1c(N)nnn1C1CC1 307289219 345949665 /nfs/dbraw/zinc/94/96/65/345949665.db2.gz FPJKYXZDEYEZLR-UHFFFAOYSA-N 0 0 180.255 1.493 10 0 ADAERN CCc1cnc(N[C@H]2CCOC2)s1 307289637 345949718 /nfs/dbraw/zinc/94/97/18/345949718.db2.gz ZBLMZJWRPNSWKX-ZETCQYMHSA-N 0 0 198.291 1.906 10 0 ADAERN Fc1ccc(OC(F)F)nc1F 307289230 345949778 /nfs/dbraw/zinc/94/97/78/345949778.db2.gz FSHMGPWMRZPXIT-UHFFFAOYSA-N 0 0 181.088 1.961 10 0 ADAERN NN[C@@H](c1cn[nH]c1)c1cccs1 307289223 345949824 /nfs/dbraw/zinc/94/98/24/345949824.db2.gz FQSWJVWLGUBLJM-QMMMGPOBSA-N 0 0 194.263 1.024 10 0 ADAERN Cc1ncsc1C(=O)N[C@@H]1C[C@H]1C 307289360 345949869 /nfs/dbraw/zinc/94/98/69/345949869.db2.gz YOQMGRDQLYPNJP-IYSWYEEDSA-N 0 0 196.275 1.590 10 0 ADAERN 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ADAERN CC(C)c1nn(C)cc1N[C@H](C)CO 307323011 345970691 /nfs/dbraw/zinc/97/06/91/345970691.db2.gz AEEZSJVKNZBNNG-MRVPVSSYSA-N 0 0 197.282 1.336 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1ncnn1C 307322930 345970712 /nfs/dbraw/zinc/97/07/12/345970712.db2.gz RIPPRCAJXZKSPZ-VXNVDRBHSA-N 0 0 183.255 1.069 10 0 ADAERN CC1(CNc2nnco2)CC1 307323311 345970731 /nfs/dbraw/zinc/97/07/31/345970731.db2.gz DDRPBNIPLPKWMO-UHFFFAOYSA-N 0 0 153.185 1.282 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1c1ccco1 307323421 345970962 /nfs/dbraw/zinc/97/09/62/345970962.db2.gz CTUSRRCEFUJTIG-WCBMZHEXSA-N 0 0 179.219 1.867 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1c1ccco1 307323417 345970963 /nfs/dbraw/zinc/97/09/63/345970963.db2.gz CTUSRRCEFUJTIG-PSASIEDQSA-N 0 0 179.219 1.867 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1c1ccco1 307323419 345970987 /nfs/dbraw/zinc/97/09/87/345970987.db2.gz CTUSRRCEFUJTIG-SCZZXKLOSA-N 0 0 179.219 1.867 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1c1ccco1 307323423 345971066 /nfs/dbraw/zinc/97/10/66/345971066.db2.gz CTUSRRCEFUJTIG-WPRPVWTQSA-N 0 0 179.219 1.867 10 0 ADAERN Nc1ncn(C[C@@H]2CC=CCC2)n1 307324123 345971208 /nfs/dbraw/zinc/97/12/08/345971208.db2.gz CYVMLMVLSKVFHL-MRVPVSSYSA-N 0 0 178.239 1.217 10 0 ADAERN C[C@]12CC[C@H](O)C[C@H]1CCCC2=O 307323498 345971243 /nfs/dbraw/zinc/97/12/43/345971243.db2.gz AQICJZJJNASFSN-YWVKMMECSA-N 0 0 182.263 1.907 10 0 ADAERN Cc1cocc1-c1cn[nH]c(=O)c1 307323467 345971255 /nfs/dbraw/zinc/97/12/55/345971255.db2.gz AOPLRKBNUXIYFP-UHFFFAOYSA-N 0 0 176.175 1.338 10 0 ADAERN Cn1cnc(-c2ccc(N)cn2)c1 307324625 345971507 /nfs/dbraw/zinc/97/15/07/345971507.db2.gz SBAAJMGEIPXDNM-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN N#CNC[C@H]1CC2CCC1CC2 307324381 345971509 /nfs/dbraw/zinc/97/15/09/345971509.db2.gz KFEVFWSQKNSWPI-UDNWOFFPSA-N 0 0 164.252 1.883 10 0 ADAERN CC(=O)Oc1cccc2n[nH]cc12 307324350 345971514 /nfs/dbraw/zinc/97/15/14/345971514.db2.gz KBKBGRJAEDAOHK-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN CC(C)(C)[C@](C)(O)c1ccncn1 307324401 345971523 /nfs/dbraw/zinc/97/15/23/345971523.db2.gz HNRALBAKVOAMLS-SNVBAGLBSA-N 0 0 180.251 1.730 10 0 ADAERN Cn1ccnc1[C@H]1NCCCS1 307324573 345971542 /nfs/dbraw/zinc/97/15/42/345971542.db2.gz DWHVQXKJKFJDLZ-QMMMGPOBSA-N 0 0 183.280 1.145 10 0 ADAERN Cn1ccnc1[C@@H]1NCCCS1 307324570 345971550 /nfs/dbraw/zinc/97/15/50/345971550.db2.gz DWHVQXKJKFJDLZ-MRVPVSSYSA-N 0 0 183.280 1.145 10 0 ADAERN Cc1ncnc2sc(N)cc12 307324822 345971600 /nfs/dbraw/zinc/97/16/00/345971600.db2.gz KWWLKMROTBGZKF-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN N#CNC[C@@H]1CC2CCC1CC2 307324379 345971608 /nfs/dbraw/zinc/97/16/08/345971608.db2.gz KFEVFWSQKNSWPI-RTBKNWGFSA-N 0 0 164.252 1.883 10 0 ADAERN CC(C)(C)[C@@](C)(O)c1ccncn1 307324400 345971625 /nfs/dbraw/zinc/97/16/25/345971625.db2.gz HNRALBAKVOAMLS-JTQLQIEISA-N 0 0 180.251 1.730 10 0 ADAERN CC1(CC(N)=S)CCC1 307324165 345971661 /nfs/dbraw/zinc/97/16/61/345971661.db2.gz DFUMFDGGYBECFV-UHFFFAOYSA-N 0 0 143.255 1.853 10 0 ADAERN Cc1cc(C(=O)NC2COC2)cs1 307324346 345971669 /nfs/dbraw/zinc/97/16/69/345971669.db2.gz RWTKBSRGQSQQCD-UHFFFAOYSA-N 0 0 197.259 1.185 10 0 ADAERN CC[N@@H+]1CC[C@H](Nc2ncns2)C1 307324206 345971697 /nfs/dbraw/zinc/97/16/97/345971697.db2.gz DLOVDYWWIOVZFJ-ZETCQYMHSA-N 0 0 198.295 1.044 10 0 ADAERN CC[N@@H+]1CC[C@@H](Nc2ncns2)C1 307324204 345971703 /nfs/dbraw/zinc/97/17/03/345971703.db2.gz DLOVDYWWIOVZFJ-SSDOTTSWSA-N 0 0 198.295 1.044 10 0 ADAERN Nc1ncn(C[C@H]2CC=CCC2)n1 307324124 345971789 /nfs/dbraw/zinc/97/17/89/345971789.db2.gz CYVMLMVLSKVFHL-QMMMGPOBSA-N 0 0 178.239 1.217 10 0 ADAERN CC1CCN(c2cn[nH]c2)CC1 307324781 345971816 /nfs/dbraw/zinc/97/18/16/345971816.db2.gz KOAOKFMJLYFMEM-UHFFFAOYSA-N 0 0 165.240 1.646 10 0 ADAERN O=C(NC1CC=CC1)N1CCCO1 307324866 345972062 /nfs/dbraw/zinc/97/20/62/345972062.db2.gz SGWFWFMMZYECKQ-UHFFFAOYSA-N 0 0 182.223 1.052 10 0 ADAERN CS/C=C/C(=O)N[C@H]1C[C@@H]1C 307325205 345972069 /nfs/dbraw/zinc/97/20/69/345972069.db2.gz LHKYCJMKHCUMJA-FWDZIHJBSA-N 0 0 171.265 1.388 10 0 ADAERN CC(C)(C)CC[C@@]1(C)NC(=O)N=C1N 307324861 345972080 /nfs/dbraw/zinc/97/20/80/345972080.db2.gz SENVGYPWYVNLGE-SNVBAGLBSA-N 0 0 197.282 1.652 10 0 ADAERN CS/C=C/C(=O)N[C@H]1C[C@H]1C 307325207 345972126 /nfs/dbraw/zinc/97/21/26/345972126.db2.gz LHKYCJMKHCUMJA-OHUBKANTSA-N 0 0 171.265 1.388 10 0 ADAERN F[C@H]1CCC[C@H]1Nc1ncns1 307325511 345972198 /nfs/dbraw/zinc/97/21/98/345972198.db2.gz IIJWVJRTHYTMCB-NTSWFWBYSA-N 0 0 187.243 1.841 10 0 ADAERN NC(=S)Cc1ccoc1 307325295 345972210 /nfs/dbraw/zinc/97/22/10/345972210.db2.gz LKYQABCGABSZOJ-UHFFFAOYSA-N 0 0 141.195 1.108 10 0 ADAERN CC(C)(C)CC[C@]1(C)NC(=O)N=C1N 307324860 345972213 /nfs/dbraw/zinc/97/22/13/345972213.db2.gz SENVGYPWYVNLGE-JTQLQIEISA-N 0 0 197.282 1.652 10 0 ADAERN CCN(CC)c1cc(C)cnn1 307325282 345972233 /nfs/dbraw/zinc/97/22/33/345972233.db2.gz GEIPLHDVWAODDZ-UHFFFAOYSA-N 0 0 165.240 1.631 10 0 ADAERN Cn1ncc(CNc2ccsc2)n1 307324833 345972317 /nfs/dbraw/zinc/97/23/17/345972317.db2.gz KYJRLLWUIJREGD-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Cc1cc(N[C@@H]2C[C@H]2C2CC2)ncn1 307325110 345972367 /nfs/dbraw/zinc/97/23/67/345972367.db2.gz IBAAGBGANVAAFX-VHSXEESVSA-N 0 0 189.262 1.995 10 0 ADAERN CS/C=C/C(=O)N[C@@H]1C[C@@H]1C 307325206 345972385 /nfs/dbraw/zinc/97/23/85/345972385.db2.gz LHKYCJMKHCUMJA-HKFDCFJWSA-N 0 0 171.265 1.388 10 0 ADAERN Cc1occc1[C@@H]1CNC(=O)[C@@H]1C 307325759 345972725 /nfs/dbraw/zinc/97/27/25/345972725.db2.gz LYNHODWWTFXWOE-HZGVNTEJSA-N 0 0 179.219 1.438 10 0 ADAERN CC[C@]1(C)C[C@H]1N1CCCNC1=O 307325766 345972688 /nfs/dbraw/zinc/97/26/88/345972688.db2.gz MAHMYURZYWMMSY-PSASIEDQSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1occc1[C@H]1CNC(=O)[C@@H]1C 307325761 345972693 /nfs/dbraw/zinc/97/26/93/345972693.db2.gz LYNHODWWTFXWOE-MUWHJKNJSA-N 0 0 179.219 1.438 10 0 ADAERN CC[C@@]1(C)C[C@@H]1N1CCCNC1=O 307325769 345972761 /nfs/dbraw/zinc/97/27/61/345972761.db2.gz MAHMYURZYWMMSY-WPRPVWTQSA-N 0 0 182.267 1.590 10 0 ADAERN CC[C@@]1(C)C[C@H]1N1CCCNC1=O 307325767 345972763 /nfs/dbraw/zinc/97/27/63/345972763.db2.gz MAHMYURZYWMMSY-SCZZXKLOSA-N 0 0 182.267 1.590 10 0 ADAERN Nc1c(C(F)(F)F)ccnc1CO 307326005 345972789 /nfs/dbraw/zinc/97/27/89/345972789.db2.gz HFFCWHQNWSQWRY-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN Cc1occc1[C@H]1CNC(=O)[C@H]1C 307325762 345972847 /nfs/dbraw/zinc/97/28/47/345972847.db2.gz LYNHODWWTFXWOE-RCOVLWMOSA-N 0 0 179.219 1.438 10 0 ADAERN Clc1nccc(Cn2cccn2)n1 307325809 345972872 /nfs/dbraw/zinc/97/28/72/345972872.db2.gz MHYVYMGTOZZISO-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN CC[C@]1(C)C[C@@H]1N1CCCNC1=O 307325768 345972878 /nfs/dbraw/zinc/97/28/78/345972878.db2.gz MAHMYURZYWMMSY-WCBMZHEXSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1occc1[C@@H]1CNC(=O)[C@H]1C 307325760 345972959 /nfs/dbraw/zinc/97/29/59/345972959.db2.gz LYNHODWWTFXWOE-IMTBSYHQSA-N 0 0 179.219 1.438 10 0 ADAERN COCCc1sc(=S)[nH]c1C 307325975 345972983 /nfs/dbraw/zinc/97/29/83/345972983.db2.gz HCIJAZYULIILCI-UHFFFAOYSA-N 0 0 189.305 1.929 10 0 ADAERN Cn1ncnc1C(=O)c1ccsc1 307326477 345972998 /nfs/dbraw/zinc/97/29/98/345972998.db2.gz HUBKHTLNRCCCEG-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN OC[C@@H]1CCC[C@@H](c2cscn2)O1 307326673 345973182 /nfs/dbraw/zinc/97/31/82/345973182.db2.gz NHNULMXPRGOHKF-CBAPKCEASA-N 0 0 199.275 1.746 10 0 ADAERN Cc1cc(OCC(C)C)nn1C 307327067 345973212 /nfs/dbraw/zinc/97/32/12/345973212.db2.gz OAGLJUURZCYGOH-UHFFFAOYSA-N 0 0 168.240 1.763 10 0 ADAERN CNc1cnc2ccc(F)cc2n1 307326668 345973235 /nfs/dbraw/zinc/97/32/35/345973235.db2.gz NGSLGVVKMQOOIL-UHFFFAOYSA-N 0 0 177.182 1.811 10 0 ADAERN Nc1cccc(F)c1N1CCC1 307326653 345973264 /nfs/dbraw/zinc/97/32/64/345973264.db2.gz NDMONHXGRNIMKJ-UHFFFAOYSA-N 0 0 166.199 1.618 10 0 ADAERN CNC(=[NH2+])c1ccc(Cl)cc1[O-] 307326793 345973271 /nfs/dbraw/zinc/97/32/71/345973271.db2.gz HZSIPNPMTSQEHR-UHFFFAOYSA-N 0 0 184.626 1.590 10 0 ADAERN CC1(C)C[NH2+][C@@H]1c1cncs1 307326750 345973278 /nfs/dbraw/zinc/97/32/78/345973278.db2.gz NRLGRWZEENROBZ-SSDOTTSWSA-N 0 0 168.265 1.814 10 0 ADAERN OC[C@H]1CCC[C@H](c2cscn2)O1 307326675 345973294 /nfs/dbraw/zinc/97/32/94/345973294.db2.gz NHNULMXPRGOHKF-VXNVDRBHSA-N 0 0 199.275 1.746 10 0 ADAERN CNC(=O)Oc1ccc(N)c(F)c1 307326602 345973349 /nfs/dbraw/zinc/97/33/49/345973349.db2.gz IZYVDTNTWITJEH-UHFFFAOYSA-N 0 0 184.170 1.126 10 0 ADAERN CC1(C)C[NH2+][C@H]1c1cncs1 307326751 345973424 /nfs/dbraw/zinc/97/34/24/345973424.db2.gz NRLGRWZEENROBZ-ZETCQYMHSA-N 0 0 168.265 1.814 10 0 ADAERN OC[C@@H]1CCC[C@H](c2cscn2)O1 307326674 345973484 /nfs/dbraw/zinc/97/34/84/345973484.db2.gz NHNULMXPRGOHKF-IONNQARKSA-N 0 0 199.275 1.746 10 0 ADAERN OC[C@H]1CCC[C@@H](c2cscn2)O1 307326672 345973561 /nfs/dbraw/zinc/97/35/61/345973561.db2.gz NHNULMXPRGOHKF-APPZFPTMSA-N 0 0 199.275 1.746 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]12CCCC[C@H]2C 307327448 345973773 /nfs/dbraw/zinc/97/37/73/345973773.db2.gz UVBWZLVBYDRFKH-FXPVBKGRSA-N 0 0 181.279 1.949 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1c1ccoc1 307327806 345973784 /nfs/dbraw/zinc/97/37/84/345973784.db2.gz JURJTCNXBYBFEU-IUCAKERBSA-N 0 0 179.219 1.723 10 0 ADAERN CCN1CC(Nc2ccccn2)C1 307327308 345973833 /nfs/dbraw/zinc/97/38/33/345973833.db2.gz JOQIZINYPWEVQE-UHFFFAOYSA-N 0 0 177.251 1.198 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1c1ccoc1 307327807 345973837 /nfs/dbraw/zinc/97/38/37/345973837.db2.gz JURJTCNXBYBFEU-RKDXNWHRSA-N 0 0 179.219 1.723 10 0 ADAERN Cn1cnc(-c2ccc(C=O)o2)c1 307327414 345973884 /nfs/dbraw/zinc/97/38/84/345973884.db2.gz OUFKCZWBBHWFFB-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN C[C@@H]1CCCC[C@]12CNC(=O)[C@@H]2C 307327453 345973925 /nfs/dbraw/zinc/97/39/25/345973925.db2.gz UVBWZLVBYDRFKH-YWVKMMECSA-N 0 0 181.279 1.949 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1c1ccoc1 307327804 345973970 /nfs/dbraw/zinc/97/39/70/345973970.db2.gz JURJTCNXBYBFEU-BDAKNGLRSA-N 0 0 179.219 1.723 10 0 ADAERN Cc1nc(-c2cnc(=O)[nH]c2)cs1 307327818 345974006 /nfs/dbraw/zinc/97/40/06/345974006.db2.gz JVQQVEQZULKXTG-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1c1ccoc1 307327805 345974019 /nfs/dbraw/zinc/97/40/19/345974019.db2.gz JURJTCNXBYBFEU-DTWKUNHWSA-N 0 0 179.219 1.723 10 0 ADAERN Nc1cc(F)cc(NCCF)c1 307327908 345974043 /nfs/dbraw/zinc/97/40/43/345974043.db2.gz JRROLMRCNYYRNG-UHFFFAOYSA-N 0 0 172.178 1.789 10 0 ADAERN C[C@@H]1CCCC[C@@]12CNC(=O)[C@@H]2C 307327452 345974084 /nfs/dbraw/zinc/97/40/84/345974084.db2.gz UVBWZLVBYDRFKH-WCABBAIRSA-N 0 0 181.279 1.949 10 0 ADAERN Cc1nccn(CC(C)C)c1=O 307327436 345974094 /nfs/dbraw/zinc/97/40/94/345974094.db2.gz OWNOFMPOURAEEB-UHFFFAOYSA-N 0 0 166.224 1.208 10 0 ADAERN Cc1nnc(CN2[C@@H](C)C[C@H]2C)s1 307328075 345974387 /nfs/dbraw/zinc/97/43/87/345974387.db2.gz VJBGQGXRTURXJW-KNVOCYPGSA-N 0 0 197.307 1.829 10 0 ADAERN Cc1nnc(CN2[C@H](C)C[C@H]2C)s1 307328077 345974411 /nfs/dbraw/zinc/97/44/11/345974411.db2.gz VJBGQGXRTURXJW-RNFRBKRXSA-N 0 0 197.307 1.829 10 0 ADAERN CNC(=O)C12CCC(F)(CC1)CC2 307328637 345974422 /nfs/dbraw/zinc/97/44/22/345974422.db2.gz VZKXGVYNIOYTKG-UHFFFAOYSA-N 0 0 185.242 1.795 10 0 ADAERN Nc1cc(F)c(F)cc1-n1ccnc1 307328372 345974459 /nfs/dbraw/zinc/97/44/59/345974459.db2.gz KINFKPJKCSIMQU-UHFFFAOYSA-N 0 0 195.172 1.733 10 0 ADAERN Cc1nnc(CN2[C@@H](C)C[C@@H]2C)s1 307328074 345974478 /nfs/dbraw/zinc/97/44/78/345974478.db2.gz VJBGQGXRTURXJW-BQBZGAKWSA-N 0 0 197.307 1.829 10 0 ADAERN CC1CN(c2cc(Cl)nc(N)n2)C1 307329538 345974782 /nfs/dbraw/zinc/97/47/82/345974782.db2.gz XAQGMWAJANKABC-UHFFFAOYSA-N 0 0 198.657 1.168 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@@H]1CNC(=O)O1 307329771 345974789 /nfs/dbraw/zinc/97/47/89/345974789.db2.gz MLYNZHGFLHOTDK-HLTSFMKQSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1nc(CO)c[nH]1 307329783 345974798 /nfs/dbraw/zinc/97/47/98/345974798.db2.gz MMRISMWJJFAWKL-APPZFPTMSA-N 0 0 180.251 1.806 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H]1CNC(=O)O1 307329774 345974822 /nfs/dbraw/zinc/97/48/22/345974822.db2.gz MLYNZHGFLHOTDK-VGMNWLOBSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@H]1CNC(=O)O1 307329772 345974834 /nfs/dbraw/zinc/97/48/34/345974834.db2.gz MLYNZHGFLHOTDK-HRDYMLBCSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@H]1CCC[C@H]1c1nc(CO)c[nH]1 307329785 345974850 /nfs/dbraw/zinc/97/48/50/345974850.db2.gz MMRISMWJJFAWKL-IONNQARKSA-N 0 0 180.251 1.806 10 0 ADAERN CC1(C)OCC[C@@]12[NH2+]CCS2 307329315 345974881 /nfs/dbraw/zinc/97/48/81/345974881.db2.gz LHVGQYWXHUNFPT-QMMMGPOBSA-N 0 0 173.281 1.218 10 0 ADAERN CN(C)C(=O)N[C@@H]1CC[C@H]2C[C@H]21 307329391 345974892 /nfs/dbraw/zinc/97/48/92/345974892.db2.gz WWIWWRAQNVRWLC-XLPZGREQSA-N 0 0 168.240 1.056 10 0 ADAERN CC1CCC2(CC1)CNC(=O)CO2 307329809 345974907 /nfs/dbraw/zinc/97/49/07/345974907.db2.gz MPCPJZVOBQTKOX-UHFFFAOYSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@H]1CNC(=O)O1 307329773 345974960 /nfs/dbraw/zinc/97/49/60/345974960.db2.gz MLYNZHGFLHOTDK-IWSPIJDZSA-N 0 0 183.251 1.921 10 0 ADAERN CC[C@@H]1COCCN1c1ncc[nH]1 307329797 345974964 /nfs/dbraw/zinc/97/49/64/345974964.db2.gz MNTGWLSYKIMHHV-MRVPVSSYSA-N 0 0 181.239 1.025 10 0 ADAERN Cc1nccc(Sc2cn[nH]n2)n1 307329379 345974967 /nfs/dbraw/zinc/97/49/67/345974967.db2.gz WTZFDPCGSFJMPO-UHFFFAOYSA-N 0 0 193.235 1.054 10 0 ADAERN CC[C@H]1COCCN1c1ncc[nH]1 307329798 345974988 /nfs/dbraw/zinc/97/49/88/345974988.db2.gz MNTGWLSYKIMHHV-QMMMGPOBSA-N 0 0 181.239 1.025 10 0 ADAERN C[C@H]1CCC[C@@H]1c1nc(CO)c[nH]1 307329784 345974998 /nfs/dbraw/zinc/97/49/98/345974998.db2.gz MMRISMWJJFAWKL-CBAPKCEASA-N 0 0 180.251 1.806 10 0 ADAERN C[C@@H]1CCC[C@H]1c1nc(CO)c[nH]1 307329786 345975045 /nfs/dbraw/zinc/97/50/45/345975045.db2.gz MMRISMWJJFAWKL-VXNVDRBHSA-N 0 0 180.251 1.806 10 0 ADAERN CC1(C)OCC[C@]12[NH2+]CCS2 307329313 345975066 /nfs/dbraw/zinc/97/50/66/345975066.db2.gz LHVGQYWXHUNFPT-MRVPVSSYSA-N 0 0 173.281 1.218 10 0 ADAERN CN(C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 307329390 345975081 /nfs/dbraw/zinc/97/50/81/345975081.db2.gz WWIWWRAQNVRWLC-GJMOJQLCSA-N 0 0 168.240 1.056 10 0 ADAERN CCc1onc(C)c1C(=O)N(C)C 307330913 345975279 /nfs/dbraw/zinc/97/52/79/345975279.db2.gz OIIUCRIGARNGGP-UHFFFAOYSA-N 0 0 182.223 1.247 10 0 ADAERN COC(=O)NC1CC(C)(C)C1 307330055 345975297 /nfs/dbraw/zinc/97/52/97/345975297.db2.gz MXJQHMWYHAOEFM-UHFFFAOYSA-N 0 0 157.213 1.531 10 0 ADAERN Cc1ncsc1NC(=O)C1COC1 307330094 345975593 /nfs/dbraw/zinc/97/55/93/345975593.db2.gz XRMLMYKKNCWNKS-UHFFFAOYSA-N 0 0 198.247 1.036 10 0 ADAERN O=C1C[C@@H](c2sccc2Cl)N1 307331317 345975927 /nfs/dbraw/zinc/97/59/27/345975927.db2.gz OYCLRGVEVXGVLL-YFKPBYRVSA-N 0 0 187.651 1.963 10 0 ADAERN O=C1C[C@H](c2sccc2Cl)N1 307331316 345975998 /nfs/dbraw/zinc/97/59/98/345975998.db2.gz OYCLRGVEVXGVLL-RXMQYKEDSA-N 0 0 187.651 1.963 10 0 ADAERN COC1CN(c2ccccc2CO)C1 307332021 345976034 /nfs/dbraw/zinc/97/60/34/345976034.db2.gz POYAIXXBOAFZBM-UHFFFAOYSA-N 0 0 193.246 1.014 10 0 ADAERN CCCC1(NC=O)CC1 307331711 345976036 /nfs/dbraw/zinc/97/60/36/345976036.db2.gz PMUGSMXKPMONHO-UHFFFAOYSA-N 0 0 127.187 1.065 10 0 ADAERN CCc1cnc([C@H]2CNC(=O)C2)s1 307331697 345976102 /nfs/dbraw/zinc/97/61/02/345976102.db2.gz PMLIVLRKWFUKID-ZCFIWIBFSA-N 0 0 196.275 1.309 10 0 ADAERN CCc1cnc([C@@H]2CNC(=O)C2)s1 307331696 345976156 /nfs/dbraw/zinc/97/61/56/345976156.db2.gz PMLIVLRKWFUKID-LURJTMIESA-N 0 0 196.275 1.309 10 0 ADAERN CC(C)[C@]1(C)CNC(=O)[C@@H]1C 307361713 345994635 /nfs/dbraw/zinc/99/46/35/345994635.db2.gz HSNQRZATYFUWEV-CBAPKCEASA-N 0 0 155.241 1.415 10 0 ADAERN Cc1cc(N[S@](C)=O)ccc1N 307331763 345976189 /nfs/dbraw/zinc/97/61/89/345976189.db2.gz PRDQMYANVMWNGM-LBPRGKRZSA-N 0 0 184.264 1.283 10 0 ADAERN Cc1cc(N[S@@](C)=O)ccc1N 307331762 345976218 /nfs/dbraw/zinc/97/62/18/345976218.db2.gz PRDQMYANVMWNGM-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN C/C=C/CNc1ccnc(N)n1 307331759 345976225 /nfs/dbraw/zinc/97/62/25/345976225.db2.gz PQTQNEDQUPNXNT-NSCUHMNNSA-N 0 0 164.212 1.047 10 0 ADAERN CCC1(n2cnc(N)n2)CCCC1 307331121 345976252 /nfs/dbraw/zinc/97/62/52/345976252.db2.gz OSXVDVVBQROQKM-UHFFFAOYSA-N 0 0 180.255 1.540 10 0 ADAERN Cc1ccc(OC(=O)N(C)C)cc1N 307331081 345976279 /nfs/dbraw/zinc/97/62/79/345976279.db2.gz OOFQKGAPGYIQKN-UHFFFAOYSA-N 0 0 194.234 1.638 10 0 ADAERN CN(C)C(=O)N[C@H]1[C@H]2CCC[C@H]21 307332534 345976494 /nfs/dbraw/zinc/97/64/94/345976494.db2.gz ACIFLMRXOIWWGP-RNLVFQAGSA-N 0 0 168.240 1.056 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccc[nH]2)[C@@H]1C 307332199 345976504 /nfs/dbraw/zinc/97/65/04/345976504.db2.gz ACZHHXYHCWVCKE-MRTMQBJTSA-N 0 0 165.236 1.878 10 0 ADAERN C[C@@H]1CCN1C(=O)c1cncs1 307332391 345976513 /nfs/dbraw/zinc/97/65/13/345976513.db2.gz FEWUKKGCIAJWFZ-ZCFIWIBFSA-N 0 0 182.248 1.378 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]1(O)c1ccc[nH]1 307332210 345976595 /nfs/dbraw/zinc/97/65/95/345976595.db2.gz ACZHHXYHCWVCKE-WEDXCCLWSA-N 0 0 165.236 1.878 10 0 ADAERN C[C@H]1[C@H](C)C[C@]1(O)c1ccc[nH]1 307332191 345976622 /nfs/dbraw/zinc/97/66/22/345976622.db2.gz ACZHHXYHCWVCKE-KHQFGBGNSA-N 0 0 165.236 1.878 10 0 ADAERN Cc1ncncc1C(=O)C1CCC1 307332230 345976631 /nfs/dbraw/zinc/97/66/31/345976631.db2.gz CFRXXGLGACAGHJ-UHFFFAOYSA-N 0 0 176.219 1.768 10 0 ADAERN Cc1nnsc1CNc1cn[nH]c1 307332274 345976664 /nfs/dbraw/zinc/97/66/64/345976664.db2.gz FDDFRXDKTDXUGZ-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN Nc1ccc(N2CC(O)C2)c(Cl)c1 307332308 345976700 /nfs/dbraw/zinc/97/67/00/345976700.db2.gz AFIVXKDXUDHNBO-UHFFFAOYSA-N 0 0 198.653 1.103 10 0 ADAERN C[C@@H]1C[C@](O)(c2ccc[nH]2)[C@@H]1C 307332205 345976721 /nfs/dbraw/zinc/97/67/21/345976721.db2.gz ACZHHXYHCWVCKE-NQMVMOMDSA-N 0 0 165.236 1.878 10 0 ADAERN C[C@H]1CCN1C(=O)c1cncs1 307332387 345976765 /nfs/dbraw/zinc/97/67/65/345976765.db2.gz FEWUKKGCIAJWFZ-LURJTMIESA-N 0 0 182.248 1.378 10 0 ADAERN Cc1cnc(NCC(F)F)nc1C 307333305 345977078 /nfs/dbraw/zinc/97/70/78/345977078.db2.gz APGZWGJGFLGLTM-UHFFFAOYSA-N 0 0 187.193 1.770 10 0 ADAERN NC(=S)CC1CC(F)(F)C1 307332840 345977102 /nfs/dbraw/zinc/97/71/02/345977102.db2.gz KYCADXCHOGRLHD-UHFFFAOYSA-N 0 0 165.208 1.708 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H]1[C@H]2CCCC[C@H]21 307333544 345977111 /nfs/dbraw/zinc/97/71/11/345977111.db2.gz QCVSBHZIKXSQPD-IMSYWVGJSA-N 0 0 197.278 1.326 10 0 ADAERN CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CCCC[C@H]21 307332773 345977153 /nfs/dbraw/zinc/97/71/53/345977153.db2.gz QCVSBHZIKXSQPD-AXTSPUMRSA-N 0 0 197.278 1.326 10 0 ADAERN CC[C@@]1(C)[C@H](C)C(=O)N[C@@H]1C 307333597 345977177 /nfs/dbraw/zinc/97/71/77/345977177.db2.gz AQPSGTVYVFPKAN-BHNWBGBOSA-N 0 0 155.241 1.557 10 0 ADAERN CC[C@]1(C)[C@H](C)NC(=O)[C@@H]1C 307333601 345977195 /nfs/dbraw/zinc/97/71/95/345977195.db2.gz AQPSGTVYVFPKAN-ZKWXMUAHSA-N 0 0 155.241 1.557 10 0 ADAERN CC[C@]1(C)[C@@H](C)NC(=O)[C@@H]1C 307333600 345977200 /nfs/dbraw/zinc/97/72/00/345977200.db2.gz AQPSGTVYVFPKAN-OOZYFLPDSA-N 0 0 155.241 1.557 10 0 ADAERN CC[C@]1(C)[C@H](C)NC(=O)[C@H]1C 307333598 345977216 /nfs/dbraw/zinc/97/72/16/345977216.db2.gz AQPSGTVYVFPKAN-FJXKBIBVSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1ccc(-c2nc(Cl)n[nH]2)nc1 307333615 345977271 /nfs/dbraw/zinc/97/72/71/345977271.db2.gz ASZDSJIEYSQUKP-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN Cc1cscc1N[C@H]1COC[C@@H]1O 307334763 345977603 /nfs/dbraw/zinc/97/76/03/345977603.db2.gz MAIANHYIWNAMOG-CBAPKCEASA-N 0 0 199.275 1.228 10 0 ADAERN Cc1cscc1N[C@H]1COC[C@H]1O 307334764 345977617 /nfs/dbraw/zinc/97/76/17/345977617.db2.gz MAIANHYIWNAMOG-IONNQARKSA-N 0 0 199.275 1.228 10 0 ADAERN O=C(c1ccsn1)c1cnns1 307334286 345977641 /nfs/dbraw/zinc/97/76/41/345977641.db2.gz BXDVFMKFQYAZPI-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN Cc1nc(C(=N)NC2CC2)co1 307334889 345977710 /nfs/dbraw/zinc/97/77/10/345977710.db2.gz BDZAWJGFVPHCCI-UHFFFAOYSA-N 0 0 165.196 1.060 10 0 ADAERN C[C@@H]1C(=O)NCC1(C1CC1)C1CC1 307334049 345977746 /nfs/dbraw/zinc/97/77/46/345977746.db2.gz CYWGOBWGRVTIRV-SSDOTTSWSA-N 0 0 179.263 1.559 10 0 ADAERN CC(=O)NCC1(F)CCCC1 307334096 345977757 /nfs/dbraw/zinc/97/77/57/345977757.db2.gz FTVOANCCGJMTSR-UHFFFAOYSA-N 0 0 159.204 1.405 10 0 ADAERN Nc1ncc(O)cc1C(F)(F)F 307334840 345977763 /nfs/dbraw/zinc/97/77/63/345977763.db2.gz MJCXJZFYQQYCMI-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN O=c1nc(-c2ccsn2)c(F)c[nH]1 307334626 345977779 /nfs/dbraw/zinc/97/77/79/345977779.db2.gz RAIKFWUHVDTWOC-UHFFFAOYSA-N 0 0 197.194 1.445 10 0 ADAERN O=C1CCCC[C@H]1Cc1cnsn1 307334449 345977786 /nfs/dbraw/zinc/97/77/86/345977786.db2.gz AYEYCUCOCJCBRP-ZETCQYMHSA-N 0 0 196.275 1.840 10 0 ADAERN O=C1CCCC[C@@H]1Cc1cnsn1 307334447 345977787 /nfs/dbraw/zinc/97/77/87/345977787.db2.gz AYEYCUCOCJCBRP-SSDOTTSWSA-N 0 0 196.275 1.840 10 0 ADAERN Cc1cscc1N[C@@H]1COC[C@H]1O 307334766 345977827 /nfs/dbraw/zinc/97/78/27/345977827.db2.gz MAIANHYIWNAMOG-VXNVDRBHSA-N 0 0 199.275 1.228 10 0 ADAERN Cc1cscc1N[C@@H]1COC[C@@H]1O 307334762 345977870 /nfs/dbraw/zinc/97/78/70/345977870.db2.gz MAIANHYIWNAMOG-APPZFPTMSA-N 0 0 199.275 1.228 10 0 ADAERN C[C@H]1C(=O)NCC1(C1CC1)C1CC1 307334050 345977877 /nfs/dbraw/zinc/97/78/77/345977877.db2.gz CYWGOBWGRVTIRV-ZETCQYMHSA-N 0 0 179.263 1.559 10 0 ADAERN Cc1c[nH]c(N2C3CCC2CC3)n1 307335754 345978071 /nfs/dbraw/zinc/97/80/71/345978071.db2.gz DRSKIBXTFUUDFD-UHFFFAOYSA-N 0 0 177.251 1.849 10 0 ADAERN C[C@H]1CCCN1c1ncc[nH]1 307335106 345978100 /nfs/dbraw/zinc/97/81/00/345978100.db2.gz GJMVYNORSJNMLC-ZETCQYMHSA-N 0 0 151.213 1.398 10 0 ADAERN C[C@]1(N2CCNC2=O)CC=CCC1 307335298 345978165 /nfs/dbraw/zinc/97/81/65/345978165.db2.gz BGPNZRYTYHQXKC-JTQLQIEISA-N 0 0 180.251 1.510 10 0 ADAERN Nc1noc(-c2cncc(Cl)c2)n1 307335104 345978356 /nfs/dbraw/zinc/97/83/56/345978356.db2.gz GJMDFVNBNCVVIU-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN C[C@@]1(N2CCNC2=O)CC=CCC1 307335299 345978406 /nfs/dbraw/zinc/97/84/06/345978406.db2.gz BGPNZRYTYHQXKC-SNVBAGLBSA-N 0 0 180.251 1.510 10 0 ADAERN C[C@@H]1CCCN1c1ncc[nH]1 307335105 345978460 /nfs/dbraw/zinc/97/84/60/345978460.db2.gz GJMVYNORSJNMLC-SSDOTTSWSA-N 0 0 151.213 1.398 10 0 ADAERN NNc1ccnc(C2=CCCC2)c1 307335029 345978514 /nfs/dbraw/zinc/97/85/14/345978514.db2.gz RKDYTIHOOJYTIF-UHFFFAOYSA-N 0 0 175.235 1.935 10 0 ADAERN CCCNc1ncc2c(n1)CCC2 307335765 345978551 /nfs/dbraw/zinc/97/85/51/345978551.db2.gz QWVCZRQCTZDGBK-UHFFFAOYSA-N 0 0 177.251 1.787 10 0 ADAERN CC(C)([NH3+])[C@@H](F)c1ccsn1 307336207 345978681 /nfs/dbraw/zinc/97/86/81/345978681.db2.gz BSLRYFREEQIARO-LURJTMIESA-N 0 0 174.244 1.891 10 0 ADAERN CC(C)[C@@H](NC#N)C1CC1 307336470 345978693 /nfs/dbraw/zinc/97/86/93/345978693.db2.gz FIFBALMTGWAXRW-MRVPVSSYSA-N 0 0 138.214 1.492 10 0 ADAERN CONCCOCc1ccccc1 307335933 345978704 /nfs/dbraw/zinc/97/87/04/345978704.db2.gz DZUDLHCCDBCTBD-UHFFFAOYSA-N 0 0 181.235 1.354 10 0 ADAERN CC(C)([NH3+])[C@H](F)c1ccsn1 307336209 345978746 /nfs/dbraw/zinc/97/87/46/345978746.db2.gz BSLRYFREEQIARO-ZCFIWIBFSA-N 0 0 174.244 1.891 10 0 ADAERN CC(C)[C@H](NC#N)C1CC1 307336472 345978857 /nfs/dbraw/zinc/97/88/57/345978857.db2.gz FIFBALMTGWAXRW-QMMMGPOBSA-N 0 0 138.214 1.492 10 0 ADAERN OCC1(Nc2ccccc2)CSC1 307337339 345979343 /nfs/dbraw/zinc/97/93/43/345979343.db2.gz FXSUFHDERSGARO-UHFFFAOYSA-N 0 0 195.287 1.576 10 0 ADAERN C[C@]1([C@H]2CCCO2)C[C@@H]1CO 307337022 345979357 /nfs/dbraw/zinc/97/93/57/345979357.db2.gz OKKPGHUYAHUYPF-HLTSFMKQSA-N 0 0 156.225 1.184 10 0 ADAERN CSC1([C@H]2NC(=O)C2(C)C)CC1 307337350 345979381 /nfs/dbraw/zinc/97/93/81/345979381.db2.gz FYEVXUQHMYMCOX-LURJTMIESA-N 0 0 185.292 1.407 10 0 ADAERN CC(C)N(C)c1ncc(F)c(N)n1 307337424 345979434 /nfs/dbraw/zinc/97/94/34/345979434.db2.gz GEWGYUVSXKALQB-UHFFFAOYSA-N 0 0 184.218 1.043 10 0 ADAERN CNc1ccnc(C(C)(C)COC)n1 307337007 345979452 /nfs/dbraw/zinc/97/94/52/345979452.db2.gz OINSSATTXWEPFU-UHFFFAOYSA-N 0 0 195.266 1.442 10 0 ADAERN C[C@]1([C@H]2CCCO2)C[C@H]1CO 307337024 345979459 /nfs/dbraw/zinc/97/94/59/345979459.db2.gz OKKPGHUYAHUYPF-YIZRAAEISA-N 0 0 156.225 1.184 10 0 ADAERN CSC1([C@@H]2NC(=O)C2(C)C)CC1 307337351 345979471 /nfs/dbraw/zinc/97/94/71/345979471.db2.gz FYEVXUQHMYMCOX-ZCFIWIBFSA-N 0 0 185.292 1.407 10 0 ADAERN C[C@]1([C@@H]2CCCO2)C[C@@H]1CO 307337023 345979473 /nfs/dbraw/zinc/97/94/73/345979473.db2.gz OKKPGHUYAHUYPF-VGMNWLOBSA-N 0 0 156.225 1.184 10 0 ADAERN CC1([C@H]([NH3+])C(=O)[O-])CCCCCC1 307338434 345979964 /nfs/dbraw/zinc/97/99/64/345979964.db2.gz SLVOCWSVEQDLJX-MRVPVSSYSA-N 0 0 185.267 1.759 10 0 ADAERN C[C@]1([C@@H]2CCCO2)C[C@H]1CO 307337021 345979578 /nfs/dbraw/zinc/97/95/78/345979578.db2.gz OKKPGHUYAHUYPF-CIUDSAMLSA-N 0 0 156.225 1.184 10 0 ADAERN CNc1cc(OC)c(C)cc1N 307337561 345979903 /nfs/dbraw/zinc/97/99/03/345979903.db2.gz PJBLHOOXQMQLFN-UHFFFAOYSA-N 0 0 166.224 1.628 10 0 ADAERN CC1([C@@H]([NH3+])C(=O)[O-])CCCCCC1 307338437 345979948 /nfs/dbraw/zinc/97/99/48/345979948.db2.gz SLVOCWSVEQDLJX-QMMMGPOBSA-N 0 0 185.267 1.759 10 0 ADAERN Cc1cccc(N)c1OC(N)=O 307338369 345980038 /nfs/dbraw/zinc/98/00/38/345980038.db2.gz QIRYHUGZGYLPOI-UHFFFAOYSA-N 0 0 166.180 1.035 10 0 ADAERN COc1cc(C(F)(F)F)cc(=O)[nH]1 307337927 345980043 /nfs/dbraw/zinc/98/00/43/345980043.db2.gz PSZJKKQPIFVDPN-UHFFFAOYSA-N 0 0 193.124 1.815 10 0 ADAERN COc1ncc(NC2CCC2)cn1 307337865 345980054 /nfs/dbraw/zinc/98/00/54/345980054.db2.gz SHDZSUBGFYAXSR-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN CC1([C@H](O)c2ccc[nH]2)CC1 307338952 345980464 /nfs/dbraw/zinc/98/04/64/345980464.db2.gz VOMPCZJCXQDZSI-MRVPVSSYSA-N 0 0 151.209 1.848 10 0 ADAERN Cc1cscc1NC(=O)CCCO 307338711 345980493 /nfs/dbraw/zinc/98/04/93/345980493.db2.gz QSCLOVJQDJYLNW-UHFFFAOYSA-N 0 0 199.275 1.768 10 0 ADAERN C[C@@H]1C[C@H](N2CCC(=O)C2)CS1 307338612 345980543 /nfs/dbraw/zinc/98/05/43/345980543.db2.gz HHQORUTVCICEKA-SFYZADRCSA-N 0 0 185.292 1.155 10 0 ADAERN CC[C@H]1C[C@@H]1C(=O)Nc1cc[nH]n1 307338857 345980561 /nfs/dbraw/zinc/98/05/61/345980561.db2.gz HMAZQXCOUQEJQU-BQBZGAKWSA-N 0 0 179.223 1.394 10 0 ADAERN C[C@@H]1C[C@@H](N2CCC(=O)C2)CS1 307338610 345980584 /nfs/dbraw/zinc/98/05/84/345980584.db2.gz HHQORUTVCICEKA-HTQZYQBOSA-N 0 0 185.292 1.155 10 0 ADAERN C[C@H]1C[C@H](N2CCC(=O)C2)CS1 307338613 345980599 /nfs/dbraw/zinc/98/05/99/345980599.db2.gz HHQORUTVCICEKA-YUMQZZPRSA-N 0 0 185.292 1.155 10 0 ADAERN CC1([C@@H](O)c2ccc[nH]2)CC1 307338954 345980624 /nfs/dbraw/zinc/98/06/24/345980624.db2.gz VOMPCZJCXQDZSI-QMMMGPOBSA-N 0 0 151.209 1.848 10 0 ADAERN C[C@H]1C[C@@H](N2CCC(=O)C2)CS1 307338611 345980636 /nfs/dbraw/zinc/98/06/36/345980636.db2.gz HHQORUTVCICEKA-JGVFFNPUSA-N 0 0 185.292 1.155 10 0 ADAERN CC[C@@H]1C[C@@H]1C(=O)Nc1cc[nH]n1 307338861 345980709 /nfs/dbraw/zinc/98/07/09/345980709.db2.gz HMAZQXCOUQEJQU-RQJHMYQMSA-N 0 0 179.223 1.394 10 0 ADAERN CC[C@H]1C[C@H]1C(=O)Nc1cc[nH]n1 307338859 345980746 /nfs/dbraw/zinc/98/07/46/345980746.db2.gz HMAZQXCOUQEJQU-NKWVEPMBSA-N 0 0 179.223 1.394 10 0 ADAERN C[S@@](=O)Nc1ccc2c(c1)CCN2 307339443 345980927 /nfs/dbraw/zinc/98/09/27/345980927.db2.gz TUZSCBOAUIXCQQ-CYBMUJFWSA-N 0 0 196.275 1.360 10 0 ADAERN Cc1ccc(N[C@@H]2CC[C@H]2O)nc1 307339285 345980946 /nfs/dbraw/zinc/98/09/46/345980946.db2.gz WJVDHQCFPWDSAT-RKDXNWHRSA-N 0 0 178.235 1.325 10 0 ADAERN O=C1NC(=S)N[C@@H]1CC1CCCC1 307339075 345981033 /nfs/dbraw/zinc/98/10/33/345981033.db2.gz SVTDQLNKKKKTKP-SSDOTTSWSA-N 0 0 198.291 1.351 10 0 ADAERN C[S@](=O)Nc1ccc2c(c1)CCN2 307339444 345981172 /nfs/dbraw/zinc/98/11/72/345981172.db2.gz TUZSCBOAUIXCQQ-ZDUSSCGKSA-N 0 0 196.275 1.360 10 0 ADAERN Cc1cc(N=S(C)(C)=O)ccc1N 307339689 345981201 /nfs/dbraw/zinc/98/12/01/345981201.db2.gz WPEQBXYIBOYJCE-UHFFFAOYSA-N 0 0 198.291 1.936 10 0 ADAERN O=C1NC(=S)N[C@H]1CC1CCCC1 307339076 345981370 /nfs/dbraw/zinc/98/13/70/345981370.db2.gz SVTDQLNKKKKTKP-ZETCQYMHSA-N 0 0 198.291 1.351 10 0 ADAERN C[C@H]1SCC[C@H]1Nc1c[nH]cn1 307339785 345981604 /nfs/dbraw/zinc/98/16/04/345981604.db2.gz WSRSJTOVTPPVLF-RNFRBKRXSA-N 0 0 183.280 1.716 10 0 ADAERN C[C@@H]1SCC[C@H]1Nc1c[nH]cn1 307339778 345981617 /nfs/dbraw/zinc/98/16/17/345981617.db2.gz WSRSJTOVTPPVLF-NKWVEPMBSA-N 0 0 183.280 1.716 10 0 ADAERN C[C@H]1SCC[C@@H]1Nc1c[nH]cn1 307339786 345981624 /nfs/dbraw/zinc/98/16/24/345981624.db2.gz WSRSJTOVTPPVLF-RQJHMYQMSA-N 0 0 183.280 1.716 10 0 ADAERN COCC1(C(N)=S)CCCC1 307339775 345981667 /nfs/dbraw/zinc/98/16/67/345981667.db2.gz IPMFSGCHEODHDG-UHFFFAOYSA-N 0 0 173.281 1.479 10 0 ADAERN C[C@@H]1SCC[C@@H]1Nc1c[nH]cn1 307339768 345981708 /nfs/dbraw/zinc/98/17/08/345981708.db2.gz WSRSJTOVTPPVLF-BQBZGAKWSA-N 0 0 183.280 1.716 10 0 ADAERN C[C@@H](C(F)F)N1CCC(=O)[C@H](C)C1 307340840 345981948 /nfs/dbraw/zinc/98/19/48/345981948.db2.gz UEMCSPDRFIFUPP-RQJHMYQMSA-N 0 0 191.221 1.551 10 0 ADAERN C1CC(Nc2nc(C3CC3)no2)C1 307341269 345981956 /nfs/dbraw/zinc/98/19/56/345981956.db2.gz ZCKQGRVGNCQQLD-UHFFFAOYSA-N 0 0 179.223 1.911 10 0 ADAERN C[C@@H]1CN([C@H](C)C(F)F)CCC1=O 307340839 345982064 /nfs/dbraw/zinc/98/20/64/345982064.db2.gz UEMCSPDRFIFUPP-RNFRBKRXSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@H]1CN([C@H](C)C(F)F)CCC1=O 307340838 345982093 /nfs/dbraw/zinc/98/20/93/345982093.db2.gz UEMCSPDRFIFUPP-NKWVEPMBSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@H]1CN([C@@H](C)C(F)F)CCC1=O 307340837 345982245 /nfs/dbraw/zinc/98/22/45/345982245.db2.gz UEMCSPDRFIFUPP-BQBZGAKWSA-N 0 0 191.221 1.551 10 0 ADAERN Cc1nc(NCC2(C)CC2)n(C)n1 307341403 345982251 /nfs/dbraw/zinc/98/22/51/345982251.db2.gz ZIEQPOIHMLORFV-UHFFFAOYSA-N 0 0 180.255 1.336 10 0 ADAERN CC1(C)CCN(c2ncc[nH]2)C1 307341678 345982550 /nfs/dbraw/zinc/98/25/50/345982550.db2.gz AERDBMYUVHZILI-UHFFFAOYSA-N 0 0 165.240 1.646 10 0 ADAERN C/C=C/CNc1ncc(N)s1 307341804 345982592 /nfs/dbraw/zinc/98/25/92/345982592.db2.gz VFYGXXKRLILKBH-NSCUHMNNSA-N 0 0 169.253 1.713 10 0 ADAERN O=C1N[C@H](c2nccs2)[C@@H]1C1CC1 307341520 345982596 /nfs/dbraw/zinc/98/25/96/345982596.db2.gz VBRXLLVCZKZDET-BQBZGAKWSA-N 0 0 194.259 1.340 10 0 ADAERN CNc1nc(CN2CCCC2)ns1 307341575 345982612 /nfs/dbraw/zinc/98/26/12/345982612.db2.gz JVXYTXALJOWFDJ-UHFFFAOYSA-N 0 0 198.295 1.176 10 0 ADAERN Cc1ccc(C2N=NC(=S)O2)nn1 307341759 345982621 /nfs/dbraw/zinc/98/26/21/345982621.db2.gz UZUUWFAYHXCQDZ-UHFFFAOYSA-N 0 0 194.219 1.124 10 0 ADAERN O=C1N[C@@H](c2nccs2)[C@@H]1C1CC1 307341521 345982623 /nfs/dbraw/zinc/98/26/23/345982623.db2.gz VBRXLLVCZKZDET-NKWVEPMBSA-N 0 0 194.259 1.340 10 0 ADAERN O=C1N[C@@H](c2nccs2)[C@H]1C1CC1 307341523 345982625 /nfs/dbraw/zinc/98/26/25/345982625.db2.gz VBRXLLVCZKZDET-RNFRBKRXSA-N 0 0 194.259 1.340 10 0 ADAERN Cn1cnnc1C(=O)C1CCCC1 307342229 345982684 /nfs/dbraw/zinc/98/26/84/345982684.db2.gz VTCUDXOBNCCZRK-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN O=C1N[C@H](c2nccs2)[C@H]1C1CC1 307341526 345982739 /nfs/dbraw/zinc/98/27/39/345982739.db2.gz VBRXLLVCZKZDET-RQJHMYQMSA-N 0 0 194.259 1.340 10 0 ADAERN CC(C)(C)OC[C@H]1CCCCNC1=O 307342768 345983138 /nfs/dbraw/zinc/98/31/38/345983138.db2.gz HWCOWHIROXCTBT-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN O=C1CCC(OC2CC2)CC1 307342654 345983147 /nfs/dbraw/zinc/98/31/47/345983147.db2.gz VZRVOHUXEVBOFR-UHFFFAOYSA-N 0 0 154.209 1.677 10 0 ADAERN CC(C)(C)OC[C@@H]1CCCCNC1=O 307342769 345983152 /nfs/dbraw/zinc/98/31/52/345983152.db2.gz HWCOWHIROXCTBT-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1N1CCC(=O)C1 307342932 345983165 /nfs/dbraw/zinc/98/31/65/345983165.db2.gz LAKXTWSYMRCVLZ-WDEREUQCSA-N 0 0 181.279 1.696 10 0 ADAERN CC[C@@]1(C)C[C@@H]1n1cnc(CO)c1 307342888 345983185 /nfs/dbraw/zinc/98/31/85/345983185.db2.gz KWACCHCXNVSBPE-UWVGGRQHSA-N 0 0 180.251 1.737 10 0 ADAERN CC(C)[C@]1(C)C[C@@H]1N1CCC(=O)C1 307342931 345983191 /nfs/dbraw/zinc/98/31/91/345983191.db2.gz LAKXTWSYMRCVLZ-QWRGUYRKSA-N 0 0 181.279 1.696 10 0 ADAERN Cc1nc(CC2CC2)sc1C(N)=O 307342781 345983210 /nfs/dbraw/zinc/98/32/10/345983210.db2.gz HWWDGZGXKNZMAZ-UHFFFAOYSA-N 0 0 196.275 1.503 10 0 ADAERN CC[C@@]1(C)C[C@H]1n1cnc(CO)c1 307342890 345983215 /nfs/dbraw/zinc/98/32/15/345983215.db2.gz KWACCHCXNVSBPE-ZJUUUORDSA-N 0 0 180.251 1.737 10 0 ADAERN CC(C)[C@@]1(C)C[C@H]1N1CCC(=O)C1 307342929 345983221 /nfs/dbraw/zinc/98/32/21/345983221.db2.gz LAKXTWSYMRCVLZ-GHMZBOCLSA-N 0 0 181.279 1.696 10 0 ADAERN CCNc1noc(-c2ccco2)n1 307342798 345983227 /nfs/dbraw/zinc/98/32/27/345983227.db2.gz HXWLSLSHEYKUCN-UHFFFAOYSA-N 0 0 179.179 1.761 10 0 ADAERN CC(C)[C@]1(C)C[C@H]1N1CCC(=O)C1 307342930 345983228 /nfs/dbraw/zinc/98/32/28/345983228.db2.gz LAKXTWSYMRCVLZ-MNOVXSKESA-N 0 0 181.279 1.696 10 0 ADAERN CC[C@]1(C)C[C@H]1n1cnc(CO)c1 307342887 345983234 /nfs/dbraw/zinc/98/32/34/345983234.db2.gz KWACCHCXNVSBPE-NXEZZACHSA-N 0 0 180.251 1.737 10 0 ADAERN CC[C@]1(C)C[C@@H]1n1cnc(CO)c1 307342889 345983239 /nfs/dbraw/zinc/98/32/39/345983239.db2.gz KWACCHCXNVSBPE-VHSXEESVSA-N 0 0 180.251 1.737 10 0 ADAERN CC(=O)[C@H](C)N1CCO[C@H](C)[C@H]1C 307344125 345983668 /nfs/dbraw/zinc/98/36/68/345983668.db2.gz YMOXYICXUQOTGY-QXFUBDJGSA-N 0 0 185.267 1.073 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@]12CC[C@@H]1C[C@@H]12 307343862 345983680 /nfs/dbraw/zinc/98/36/80/345983680.db2.gz MCYKAFPBOOIOIG-ZCLKDUABSA-N 0 0 179.263 1.557 10 0 ADAERN CC(=O)[C@H](C)N1CCO[C@@H](C)[C@@H]1C 307344121 345983684 /nfs/dbraw/zinc/98/36/84/345983684.db2.gz YMOXYICXUQOTGY-NRPADANISA-N 0 0 185.267 1.073 10 0 ADAERN CC(=O)[C@H](C)N1CCO[C@@H](C)[C@H]1C 307344127 345983695 /nfs/dbraw/zinc/98/36/95/345983695.db2.gz YMOXYICXUQOTGY-XKSSXDPKSA-N 0 0 185.267 1.073 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@]12CC[C@H]1C[C@H]12 307343859 345983718 /nfs/dbraw/zinc/98/37/18/345983718.db2.gz MCYKAFPBOOIOIG-HTFKAIDBSA-N 0 0 179.263 1.557 10 0 ADAERN CC(C)[C@]1(C)C[C@@H]1n1cncc1CO 307344145 345983721 /nfs/dbraw/zinc/98/37/21/345983721.db2.gz MPKYVKHNNCUAFK-QWRGUYRKSA-N 0 0 194.278 1.983 10 0 ADAERN CC(C)[C@@]1(C)C[C@H]1n1cncc1CO 307344140 345983729 /nfs/dbraw/zinc/98/37/29/345983729.db2.gz MPKYVKHNNCUAFK-GHMZBOCLSA-N 0 0 194.278 1.983 10 0 ADAERN CC(=O)[C@H](C)N1CCO[C@H](C)[C@@H]1C 307344124 345983738 /nfs/dbraw/zinc/98/37/38/345983738.db2.gz YMOXYICXUQOTGY-OYNCUSHFSA-N 0 0 185.267 1.073 10 0 ADAERN C[C@H]1C(=O)NC[C@H]1c1ccco1 307343843 345983771 /nfs/dbraw/zinc/98/37/71/345983771.db2.gz MATUOORKDDXYMF-RNFRBKRXSA-N 0 0 165.192 1.129 10 0 ADAERN CC(F)(F)[C@@H](N)c1ccns1 307343491 345983801 /nfs/dbraw/zinc/98/38/01/345983801.db2.gz LNTJGDFKZFSOQI-YFKPBYRVSA-N 0 0 178.207 1.798 10 0 ADAERN C[C@H]1C(=O)NC[C@@H]1c1ccco1 307343845 345983844 /nfs/dbraw/zinc/98/38/44/345983844.db2.gz MATUOORKDDXYMF-RQJHMYQMSA-N 0 0 165.192 1.129 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1n1cncc1CO 307344147 345983850 /nfs/dbraw/zinc/98/38/50/345983850.db2.gz MPKYVKHNNCUAFK-WDEREUQCSA-N 0 0 194.278 1.983 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1c1ccco1 307343841 345983864 /nfs/dbraw/zinc/98/38/64/345983864.db2.gz MATUOORKDDXYMF-BQBZGAKWSA-N 0 0 165.192 1.129 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1c1ccco1 307343842 345983895 /nfs/dbraw/zinc/98/38/95/345983895.db2.gz MATUOORKDDXYMF-NKWVEPMBSA-N 0 0 165.192 1.129 10 0 ADAERN Nc1nccnc1CC1CCCC1 307343935 345983927 /nfs/dbraw/zinc/98/39/27/345983927.db2.gz YAVNCVCUMVCSJX-UHFFFAOYSA-N 0 0 177.251 1.792 10 0 ADAERN CC(F)(F)[C@H](N)c1ccns1 307343490 345983930 /nfs/dbraw/zinc/98/39/30/345983930.db2.gz LNTJGDFKZFSOQI-RXMQYKEDSA-N 0 0 178.207 1.798 10 0 ADAERN CNc1cnc(-c2ccns2)cn1 307345236 345984184 /nfs/dbraw/zinc/98/41/84/345984184.db2.gz NSROYMJZTHXTRN-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN O[C@@H](Cc1csnn1)c1ccoc1 307345327 345984307 /nfs/dbraw/zinc/98/43/07/345984307.db2.gz AMEOATNTUXPFIT-QMMMGPOBSA-N 0 0 196.231 1.407 10 0 ADAERN O[C@H](Cc1csnn1)c1ccoc1 307345326 345984382 /nfs/dbraw/zinc/98/43/82/345984382.db2.gz AMEOATNTUXPFIT-MRVPVSSYSA-N 0 0 196.231 1.407 10 0 ADAERN CCc1nc(C(=O)N(C)C)c(C)o1 307344612 345984425 /nfs/dbraw/zinc/98/44/25/345984425.db2.gz JYYXJSVGIYNEOX-UHFFFAOYSA-N 0 0 182.223 1.247 10 0 ADAERN CCn1cnc(C(=O)C(C)(F)F)c1 307344699 345984447 /nfs/dbraw/zinc/98/44/47/345984447.db2.gz NHDYCQIUOOCKMT-UHFFFAOYSA-N 0 0 188.177 1.741 10 0 ADAERN C[C@@H]1CCS[C@H](c2ccn(C)n2)N1 307345631 345984707 /nfs/dbraw/zinc/98/47/07/345984707.db2.gz WCHFKQWXFKBJIS-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CCS[C@H](c2ccn(C)n2)N1 307345628 345984717 /nfs/dbraw/zinc/98/47/17/345984717.db2.gz WCHFKQWXFKBJIS-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CCS[C@@H](c2ccn(C)n2)N1 307345626 345984802 /nfs/dbraw/zinc/98/48/02/345984802.db2.gz WCHFKQWXFKBJIS-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN Cc1cccc(O)c1N[S@](C)=O 307346183 345984824 /nfs/dbraw/zinc/98/48/24/345984824.db2.gz WNKLIRZHCNBIIP-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN Cc1cccc(O)c1N[S@@](C)=O 307346177 345984854 /nfs/dbraw/zinc/98/48/54/345984854.db2.gz WNKLIRZHCNBIIP-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN Nc1cc(C(F)(F)F)c(CO)cn1 307345653 345984925 /nfs/dbraw/zinc/98/49/25/345984925.db2.gz WEIMAXDDFDUNQK-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN C[C@@H]1CCS[C@@H](c2ccn(C)n2)N1 307345624 345984973 /nfs/dbraw/zinc/98/49/73/345984973.db2.gz WCHFKQWXFKBJIS-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN CC[C@H](C)c1n[nH]cc1N 307346834 345985399 /nfs/dbraw/zinc/98/53/99/345985399.db2.gz PIQOSWZSDVIAGI-YFKPBYRVSA-N 0 0 139.202 1.505 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)N1CCCO1 307346430 345985417 /nfs/dbraw/zinc/98/54/17/345985417.db2.gz LYGLMYFYPMSYGW-JGVFFNPUSA-N 0 0 184.239 1.132 10 0 ADAERN CCC(C)(C)[C@H]1CNC(=O)[C@@H]1C 307346486 345985436 /nfs/dbraw/zinc/98/54/36/345985436.db2.gz PCKYZBUHNBLAHR-SFYZADRCSA-N 0 0 169.268 1.805 10 0 ADAERN CCC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 307346814 345985469 /nfs/dbraw/zinc/98/54/69/345985469.db2.gz MKTWIQMVVGNIDO-GJMOJQLCSA-N 0 0 156.225 1.779 10 0 ADAERN CCC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 307346813 345985486 /nfs/dbraw/zinc/98/54/86/345985486.db2.gz MKTWIQMVVGNIDO-BWZBUEFSSA-N 0 0 156.225 1.779 10 0 ADAERN CCC(C)(C)[C@@H]1CNC(=O)[C@@H]1C 307346483 345985491 /nfs/dbraw/zinc/98/54/91/345985491.db2.gz PCKYZBUHNBLAHR-HTQZYQBOSA-N 0 0 169.268 1.805 10 0 ADAERN CCc1cnc([C@@H]2CO2)s1 307346918 345985496 /nfs/dbraw/zinc/98/54/96/345985496.db2.gz XBUURGANIUZAPD-LURJTMIESA-N 0 0 155.222 1.777 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)N1CCCO1 307346432 345985502 /nfs/dbraw/zinc/98/55/02/345985502.db2.gz LYGLMYFYPMSYGW-YUMQZZPRSA-N 0 0 184.239 1.132 10 0 ADAERN CCC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 307346815 345985505 /nfs/dbraw/zinc/98/55/05/345985505.db2.gz MKTWIQMVVGNIDO-XLPZGREQSA-N 0 0 156.225 1.779 10 0 ADAERN CCC(C)(C)[C@@H]1CNC(=O)[C@H]1C 307346484 345985523 /nfs/dbraw/zinc/98/55/23/345985523.db2.gz PCKYZBUHNBLAHR-JGVFFNPUSA-N 0 0 169.268 1.805 10 0 ADAERN Cc1csc(CNN)c1 307346428 345985524 /nfs/dbraw/zinc/98/55/24/345985524.db2.gz LYERRYBNFYMLSH-UHFFFAOYSA-N 0 0 142.227 1.020 10 0 ADAERN CCc1cnc([C@H]2CO2)s1 307346919 345985527 /nfs/dbraw/zinc/98/55/27/345985527.db2.gz XBUURGANIUZAPD-ZCFIWIBFSA-N 0 0 155.222 1.777 10 0 ADAERN CCC(=O)[C@@H]1C[C@H](C)O[C@H]1C 307346812 345985566 /nfs/dbraw/zinc/98/55/66/345985566.db2.gz MKTWIQMVVGNIDO-BIIVOSGPSA-N 0 0 156.225 1.779 10 0 ADAERN CCC(C)(C)[C@H]1CNC(=O)[C@H]1C 307346488 345985600 /nfs/dbraw/zinc/98/56/00/345985600.db2.gz PCKYZBUHNBLAHR-YUMQZZPRSA-N 0 0 169.268 1.805 10 0 ADAERN Nc1cc(C(F)(F)F)cc(CO)n1 307346576 345985616 /nfs/dbraw/zinc/98/56/16/345985616.db2.gz PGMUOUXWPALXNS-UHFFFAOYSA-N 0 0 192.140 1.175 10 0 ADAERN Cc1ccc(N)c(N=S(C)(C)=O)c1 307346838 345985626 /nfs/dbraw/zinc/98/56/26/345985626.db2.gz PJQQBTIEVHHCGH-UHFFFAOYSA-N 0 0 198.291 1.936 10 0 ADAERN CC(C)C[C@H]1C[C@@H]1C(N)=O 307347950 345985800 /nfs/dbraw/zinc/98/58/00/345985800.db2.gz NMINNTMXGWNPEQ-BQBZGAKWSA-N 0 0 141.214 1.154 10 0 ADAERN CC[C@H](C)[C@H]1CNC(=O)[C@@H]1C 307347482 345985804 /nfs/dbraw/zinc/98/58/04/345985804.db2.gz QDSKQDXVLJLOJZ-XLPZGREQSA-N 0 0 155.241 1.415 10 0 ADAERN Cc1sccc1Cn1nccc1N 307347187 345985970 /nfs/dbraw/zinc/98/59/70/345985970.db2.gz PXABLSXHMSWSLJ-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN CSCC(=O)[C@@]1(C)C[C@@H]1F 307347545 345985853 /nfs/dbraw/zinc/98/58/53/345985853.db2.gz QICNULKYNBIEJH-FSPLSTOPSA-N 0 0 162.229 1.667 10 0 ADAERN CSCC(=O)[C@]1(C)C[C@H]1F 307347547 345985919 /nfs/dbraw/zinc/98/59/19/345985919.db2.gz QICNULKYNBIEJH-IYSWYEEDSA-N 0 0 162.229 1.667 10 0 ADAERN CC(C)[C@@H](Nc1nnnn1C)C1CC1 307348027 345985966 /nfs/dbraw/zinc/98/59/66/345985966.db2.gz NPIIDNPPXQIROY-MRVPVSSYSA-N 0 0 195.270 1.057 10 0 ADAERN CC[C@H](C)[C@@H]1CNC(=O)[C@H]1C 307347479 345985974 /nfs/dbraw/zinc/98/59/74/345985974.db2.gz QDSKQDXVLJLOJZ-FXQIFTODSA-N 0 0 155.241 1.415 10 0 ADAERN CC(C)[C@H](Nc1nnnn1C)C1CC1 307348031 345986003 /nfs/dbraw/zinc/98/60/03/345986003.db2.gz NPIIDNPPXQIROY-QMMMGPOBSA-N 0 0 195.270 1.057 10 0 ADAERN O=c1[nH]ccnc1C1=CCCC1 307347716 345986009 /nfs/dbraw/zinc/98/60/09/345986009.db2.gz QLLHZNYIQNWBHM-UHFFFAOYSA-N 0 0 162.192 1.750 10 0 ADAERN CC[C@H](C)[C@@H]1CNC(=O)[C@@H]1C 307347480 345986014 /nfs/dbraw/zinc/98/60/14/345986014.db2.gz QDSKQDXVLJLOJZ-RNJXMRFFSA-N 0 0 155.241 1.415 10 0 ADAERN CC(C)C[C@H]1C[C@H]1C(N)=O 307347951 345986036 /nfs/dbraw/zinc/98/60/36/345986036.db2.gz NMINNTMXGWNPEQ-NKWVEPMBSA-N 0 0 141.214 1.154 10 0 ADAERN CSCC(=O)[C@@]1(C)C[C@H]1F 307347549 345986089 /nfs/dbraw/zinc/98/60/89/345986089.db2.gz QICNULKYNBIEJH-VDTYLAMSSA-N 0 0 162.229 1.667 10 0 ADAERN CSCC(=O)[C@]1(C)C[C@@H]1F 307347544 345986107 /nfs/dbraw/zinc/98/61/07/345986107.db2.gz QICNULKYNBIEJH-CAHLUQPWSA-N 0 0 162.229 1.667 10 0 ADAERN C/C=C/CNc1nc(C)cc(OC)n1 307347108 345986112 /nfs/dbraw/zinc/98/61/12/345986112.db2.gz MUIWTYWMCLMLRI-SNAWJCMRSA-N 0 0 193.250 1.782 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1C(N)=O 307347955 345986114 /nfs/dbraw/zinc/98/61/14/345986114.db2.gz NMINNTMXGWNPEQ-RQJHMYQMSA-N 0 0 141.214 1.154 10 0 ADAERN Cc1cc(=O)[nH]nc1-c1ccsc1 307348933 345986428 /nfs/dbraw/zinc/98/64/28/345986428.db2.gz OFOKYQDIXPEPPO-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN CC(C)[C@@H](C)[C@@H]1CC(=O)N1 307431609 346036283 /nfs/dbraw/zinc/03/62/83/346036283.db2.gz XXBZKSRVJMCUCB-RQJHMYQMSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)C1=COCC1 307348229 345986415 /nfs/dbraw/zinc/98/64/15/345986415.db2.gz RBBNXZNXLDYTRO-YEPSODPASA-N 0 0 154.209 1.308 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)C1=COCC1 307348228 345986418 /nfs/dbraw/zinc/98/64/18/345986418.db2.gz RBBNXZNXLDYTRO-VDAHYXPESA-N 0 0 154.209 1.308 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1NC(=O)C1CC1 307348562 345986440 /nfs/dbraw/zinc/98/64/40/345986440.db2.gz YFHRKRYDVLRKPJ-BKPPORCPSA-N 0 0 183.251 1.079 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)C1CC1 307348564 345986459 /nfs/dbraw/zinc/98/64/59/345986459.db2.gz YFHRKRYDVLRKPJ-FJXKBIBVSA-N 0 0 183.251 1.079 10 0 ADAERN CC[C@@H](C)SC1=[NH+]C[C@H](C)N1 307348715 345986470 /nfs/dbraw/zinc/98/64/70/345986470.db2.gz YLBDNIKGEMTCRR-NKWVEPMBSA-N 0 0 172.297 1.866 10 0 ADAERN Nc1ncc(-c2ccns2)s1 307348251 345986499 /nfs/dbraw/zinc/98/64/99/345986499.db2.gz REDSLYCRCZNKRA-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN CC[C@@H](C)SC1=[NH+]C[C@@H](C)N1 307348721 345986507 /nfs/dbraw/zinc/98/65/07/345986507.db2.gz YLBDNIKGEMTCRR-RNFRBKRXSA-N 0 0 172.297 1.866 10 0 ADAERN Cc1ncc(Cn2cnnc2Cl)o1 307348225 345986533 /nfs/dbraw/zinc/98/65/33/345986533.db2.gz RATXXEUCSFQBIV-UHFFFAOYSA-N 0 0 198.613 1.276 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)C1=COCC1 307348226 345986580 /nfs/dbraw/zinc/98/65/80/345986580.db2.gz RBBNXZNXLDYTRO-BWVDBABLSA-N 0 0 154.209 1.308 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)C1=COCC1 307348227 345986582 /nfs/dbraw/zinc/98/65/82/345986582.db2.gz RBBNXZNXLDYTRO-FTLITQJKSA-N 0 0 154.209 1.308 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)C2CC2)[C@@H](C)O1 307348566 345986638 /nfs/dbraw/zinc/98/66/38/345986638.db2.gz YFHRKRYDVLRKPJ-ZXFLCMHBSA-N 0 0 183.251 1.079 10 0 ADAERN CC[C@H](C)SC1=[NH+]C[C@H](C)N1 307348710 345986640 /nfs/dbraw/zinc/98/66/40/345986640.db2.gz YLBDNIKGEMTCRR-BQBZGAKWSA-N 0 0 172.297 1.866 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)C2CC2)[C@@H](C)O1 307348560 345986716 /nfs/dbraw/zinc/98/67/16/345986716.db2.gz YFHRKRYDVLRKPJ-BHNWBGBOSA-N 0 0 183.251 1.079 10 0 ADAERN C[C@H]1C(=O)NC[C@]1(C)CC1CC1 307349601 345986948 /nfs/dbraw/zinc/98/69/48/345986948.db2.gz SITLKDZHNOUVEB-XVKPBYJWSA-N 0 0 167.252 1.559 10 0 ADAERN C[C@@H]1C(=O)NC[C@]1(C)CC1CC1 307349600 345987011 /nfs/dbraw/zinc/98/70/11/345987011.db2.gz SITLKDZHNOUVEB-XCBNKYQSSA-N 0 0 167.252 1.559 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]1(C)CC1CC1 307349598 345987117 /nfs/dbraw/zinc/98/71/17/345987117.db2.gz SITLKDZHNOUVEB-GMSGAONNSA-N 0 0 167.252 1.559 10 0 ADAERN COC(=O)Cc1ccc(F)nc1F 307349095 345987203 /nfs/dbraw/zinc/98/72/03/345987203.db2.gz FDFFZHLFDUWWSR-UHFFFAOYSA-N 0 0 187.145 1.075 10 0 ADAERN CCCN1CC(Nc2nncs2)C1 307349774 345987233 /nfs/dbraw/zinc/98/72/33/345987233.db2.gz AFFDCVIUKDTTSQ-UHFFFAOYSA-N 0 0 198.295 1.044 10 0 ADAERN C[C@H]1C(=O)NC[C@@]1(C)CC1CC1 307349599 345987320 /nfs/dbraw/zinc/98/73/20/345987320.db2.gz SITLKDZHNOUVEB-OIBJUYFYSA-N 0 0 167.252 1.559 10 0 ADAERN CC[C@H]1C[C@H]1c1nc(N)ns1 307350441 345987430 /nfs/dbraw/zinc/98/74/30/345987430.db2.gz PLSOZPYQLCUQLJ-CRCLSJGQSA-N 0 0 169.253 1.634 10 0 ADAERN Cn1cc(C(=O)[C@@]2(C)C[C@@H]2F)cn1 307350786 345987464 /nfs/dbraw/zinc/98/74/64/345987464.db2.gz TXWRDHNFKGFHMC-CBAPKCEASA-N 0 0 182.198 1.351 10 0 ADAERN CC[C@H]1C[C@@H]1c1nc(N)ns1 307350443 345987471 /nfs/dbraw/zinc/98/74/71/345987471.db2.gz PLSOZPYQLCUQLJ-WHFBIAKZSA-N 0 0 169.253 1.634 10 0 ADAERN Cn1cc(C(=O)[C@@]2(C)C[C@H]2F)cn1 307350784 345987508 /nfs/dbraw/zinc/98/75/08/345987508.db2.gz TXWRDHNFKGFHMC-APPZFPTMSA-N 0 0 182.198 1.351 10 0 ADAERN C[C@@H](C(=O)Nn1cccc1)C1CC1 307350792 345987582 /nfs/dbraw/zinc/98/75/82/345987582.db2.gz ZGYUTBOFTIPAJE-MRVPVSSYSA-N 0 0 178.235 1.604 10 0 ADAERN Cn1cc(C(=O)[C@]2(C)C[C@@H]2F)cn1 307350787 345987662 /nfs/dbraw/zinc/98/76/62/345987662.db2.gz TXWRDHNFKGFHMC-IONNQARKSA-N 0 0 182.198 1.351 10 0 ADAERN Cn1cc(C(=O)[C@]2(C)C[C@H]2F)cn1 307350788 345987707 /nfs/dbraw/zinc/98/77/07/345987707.db2.gz TXWRDHNFKGFHMC-VXNVDRBHSA-N 0 0 182.198 1.351 10 0 ADAERN CC[C@@H]1C[C@@H]1c1nc(N)ns1 307350442 345987839 /nfs/dbraw/zinc/98/78/39/345987839.db2.gz PLSOZPYQLCUQLJ-UHNVWZDZSA-N 0 0 169.253 1.634 10 0 ADAERN C[C@H](C(=O)Nn1cccc1)C1CC1 307350798 345987847 /nfs/dbraw/zinc/98/78/47/345987847.db2.gz ZGYUTBOFTIPAJE-QMMMGPOBSA-N 0 0 178.235 1.604 10 0 ADAERN Clc1cnc(-c2cncnc2)cn1 307351583 345988003 /nfs/dbraw/zinc/98/80/03/345988003.db2.gz KTPPHCIEIKBLIK-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN CC[C@@]1(O)CCC1(C)C 307351229 345988114 /nfs/dbraw/zinc/98/81/14/345988114.db2.gz QBZCTQWPTCXERJ-MRVPVSSYSA-N 0 0 128.215 1.948 10 0 ADAERN CC1(C)C[C@@H]1NC(=O)c1ccno1 307351562 345988145 /nfs/dbraw/zinc/98/81/45/345988145.db2.gz QGKPVSPXNUSMDD-ZETCQYMHSA-N 0 0 180.207 1.203 10 0 ADAERN CC[C@]1(O)CCC1(C)C 307351230 345988394 /nfs/dbraw/zinc/98/83/94/345988394.db2.gz QBZCTQWPTCXERJ-QMMMGPOBSA-N 0 0 128.215 1.948 10 0 ADAERN CC1(C)C[C@H]1NC(=O)c1ccno1 307351560 345988407 /nfs/dbraw/zinc/98/84/07/345988407.db2.gz QGKPVSPXNUSMDD-SSDOTTSWSA-N 0 0 180.207 1.203 10 0 ADAERN C[C@H]1NC(=O)C[C@@]12CCC2(C)C 307351608 345988768 /nfs/dbraw/zinc/98/87/68/345988768.db2.gz BNXRTCBSZOVKLH-XCBNKYQSSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12CCC2(C)C 307351611 345988775 /nfs/dbraw/zinc/98/87/75/345988775.db2.gz BNXRTCBSZOVKLH-XVKPBYJWSA-N 0 0 167.252 1.701 10 0 ADAERN COCc1nc(C(C)C)sc1N 307352006 345988857 /nfs/dbraw/zinc/98/88/57/345988857.db2.gz LQASYPNNXWWXFP-UHFFFAOYSA-N 0 0 186.280 1.995 10 0 ADAERN OCCNc1noc2ccccc12 307351883 345988908 /nfs/dbraw/zinc/98/89/08/345988908.db2.gz ZZJSOMSCLKIRKE-UHFFFAOYSA-N 0 0 178.191 1.232 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](F)C1 307352795 345989271 /nfs/dbraw/zinc/98/92/71/345989271.db2.gz CBHAABDCMQROTD-FNCVBFRFSA-N 0 0 185.242 1.649 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](F)C1 307352797 345989398 /nfs/dbraw/zinc/98/93/98/345989398.db2.gz CBHAABDCMQROTD-RYPBNFRJSA-N 0 0 185.242 1.649 10 0 ADAERN CC(C)(C)[C@H]1NC(=O)C12CCC2 307352493 345989305 /nfs/dbraw/zinc/98/93/05/345989305.db2.gz MLBJSSXGUIQPBO-SSDOTTSWSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1cc(-c2nnc(CN)o2)cs1 307352866 345989428 /nfs/dbraw/zinc/98/94/28/345989428.db2.gz CFRYBXLABIECMZ-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN CC(C)(C)[C@@H]1NC(=O)C12CCC2 307352494 345989433 /nfs/dbraw/zinc/98/94/33/345989433.db2.gz MLBJSSXGUIQPBO-ZETCQYMHSA-N 0 0 167.252 1.701 10 0 ADAERN CC[S@@](=O)Nc1ccc(NC)nc1 307352573 345989452 /nfs/dbraw/zinc/98/94/52/345989452.db2.gz DPLIBEVSQNZUMJ-CYBMUJFWSA-N 0 0 199.279 1.219 10 0 ADAERN COc1cc(C)nc(C(N)=S)c1 307352993 345989476 /nfs/dbraw/zinc/98/94/76/345989476.db2.gz VSBIVWNTENLRBC-UHFFFAOYSA-N 0 0 182.248 1.033 10 0 ADAERN CC[S@](=O)Nc1ccc(NC)nc1 307352574 345989480 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PBXLCECWYMCXBK-SSDOTTSWSA-N 0 0 196.275 1.840 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1NC(=O)C(F)(F)F 307370614 346000400 /nfs/dbraw/zinc/00/04/00/346000400.db2.gz SFZGDKNAVVBNKK-NGJCXOISSA-N 0 0 195.184 1.709 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)C(F)(F)F)[C@@H]1C 307370612 346000476 /nfs/dbraw/zinc/00/04/76/346000476.db2.gz SFZGDKNAVVBNKK-HSUXUTPPSA-N 0 0 195.184 1.709 10 0 ADAERN O=C1CCC[C@@H](Cc2cnsn2)C1 307370012 346000531 /nfs/dbraw/zinc/00/05/31/346000531.db2.gz PBXLCECWYMCXBK-ZETCQYMHSA-N 0 0 196.275 1.840 10 0 ADAERN COC(=O)Nc1c[nH]c(=O)cc1C 307370873 346000733 /nfs/dbraw/zinc/00/07/33/346000733.db2.gz PGJCDAYEKZVFFG-UHFFFAOYSA-N 0 0 182.179 1.274 10 0 ADAERN Cc1cncc(N(C)CC2CC2)n1 307371435 346000901 /nfs/dbraw/zinc/00/09/01/346000901.db2.gz TWPQQWQIRJEDSS-UHFFFAOYSA-N 0 0 177.251 1.631 10 0 ADAERN Cc1nc([C@@]2(O)CCOC2)cs1 307371222 346000917 /nfs/dbraw/zinc/00/09/17/346000917.db2.gz PRGHPGRJICDOPL-MRVPVSSYSA-N 0 0 185.248 1.059 10 0 ADAERN Cc1nc([C@]2(O)CCOC2)cs1 307371223 346001012 /nfs/dbraw/zinc/00/10/12/346001012.db2.gz PRGHPGRJICDOPL-QMMMGPOBSA-N 0 0 185.248 1.059 10 0 ADAERN C/C=C/CNc1nccc(C)n1 307370978 346001047 /nfs/dbraw/zinc/00/10/47/346001047.db2.gz PKDZUVSTOHTQPH-ONEGZZNKSA-N 0 0 163.224 1.773 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@@H]1COC(=O)N1 307372766 346001364 /nfs/dbraw/zinc/00/13/64/346001364.db2.gz VKIGQTYSCKYKGR-HLTSFMKQSA-N 0 0 183.251 1.921 10 0 ADAERN CC(F)(F)[C@H](O)C1CC1 307371868 346001393 /nfs/dbraw/zinc/00/13/93/346001393.db2.gz QHBJGTKBVMEJLE-RXMQYKEDSA-N 0 0 136.141 1.413 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@H]1COC(=O)N1 307372768 346001397 /nfs/dbraw/zinc/00/13/97/346001397.db2.gz VKIGQTYSCKYKGR-IWSPIJDZSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H]1COC(=O)N1 307372770 346001460 /nfs/dbraw/zinc/00/14/60/346001460.db2.gz VKIGQTYSCKYKGR-VGMNWLOBSA-N 0 0 183.251 1.921 10 0 ADAERN CC(F)(F)[C@@H](O)C1CC1 307371869 346001655 /nfs/dbraw/zinc/00/16/55/346001655.db2.gz QHBJGTKBVMEJLE-YFKPBYRVSA-N 0 0 136.141 1.413 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@H]1COC(=O)N1 307372767 346001665 /nfs/dbraw/zinc/00/16/65/346001665.db2.gz VKIGQTYSCKYKGR-HRDYMLBCSA-N 0 0 183.251 1.921 10 0 ADAERN Clc1nccc(N2CCCCO2)n1 307373313 346001836 /nfs/dbraw/zinc/00/18/36/346001836.db2.gz SCXNEVZOMHWUIV-UHFFFAOYSA-N 0 0 199.641 1.662 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)N(C)C)[C@@H]1C 307373432 346001838 /nfs/dbraw/zinc/00/18/38/346001838.db2.gz WPRFINPTJVIGAQ-BWZBUEFSSA-N 0 0 170.256 1.302 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)N(C)C)[C@@H]1C 307373435 346001857 /nfs/dbraw/zinc/00/18/57/346001857.db2.gz WPRFINPTJVIGAQ-PRJMDXOYSA-N 0 0 170.256 1.302 10 0 ADAERN C[C@@H]1[C@@H](NC(=O)N(C)C)C[C@H]1C 307373433 346001928 /nfs/dbraw/zinc/00/19/28/346001928.db2.gz WPRFINPTJVIGAQ-CSMHCCOUSA-N 0 0 170.256 1.302 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1NC(=O)N(C)C 307373434 346001938 /nfs/dbraw/zinc/00/19/38/346001938.db2.gz WPRFINPTJVIGAQ-GJMOJQLCSA-N 0 0 170.256 1.302 10 0 ADAERN O=c1nc(-c2ccns2)c(F)c[nH]1 307373584 346002249 /nfs/dbraw/zinc/00/22/49/346002249.db2.gz RXHOXSRGKBEFLL-UHFFFAOYSA-N 0 0 197.194 1.445 10 0 ADAERN CC(C)n1nccc1[C@H]1NCCS1 307373878 346002379 /nfs/dbraw/zinc/00/23/79/346002379.db2.gz SWFWADVTLMTTCG-VIFPVBQESA-N 0 0 197.307 1.799 10 0 ADAERN CNC(=O)N[C@@H]1CCCC1(F)F 307373610 346002467 /nfs/dbraw/zinc/00/24/67/346002467.db2.gz SLZSNSRQJIVWLI-RXMQYKEDSA-N 0 0 178.182 1.103 10 0 ADAERN CCC(=O)c1cncnc1C 307373681 346002487 /nfs/dbraw/zinc/00/24/87/346002487.db2.gz SCYVALFMIAWUGZ-UHFFFAOYSA-N 0 0 150.181 1.378 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](c2ccsn2)[NH2+]1 307373850 346002502 /nfs/dbraw/zinc/00/25/02/346002502.db2.gz STIBGJSQLIIPLQ-FSPLSTOPSA-N 0 0 198.247 1.021 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](c2ccsn2)[NH2+]1 307373849 346002533 /nfs/dbraw/zinc/00/25/33/346002533.db2.gz STIBGJSQLIIPLQ-CAHLUQPWSA-N 0 0 198.247 1.021 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](c2ccsn2)[NH2+]1 307373851 346002723 /nfs/dbraw/zinc/00/27/23/346002723.db2.gz STIBGJSQLIIPLQ-IYSWYEEDSA-N 0 0 198.247 1.021 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](c2ccsn2)[NH2+]1 307373852 346002857 /nfs/dbraw/zinc/00/28/57/346002857.db2.gz STIBGJSQLIIPLQ-VDTYLAMSSA-N 0 0 198.247 1.021 10 0 ADAERN CC(C)n1nccc1[C@@H]1NCCS1 307373877 346002876 /nfs/dbraw/zinc/00/28/76/346002876.db2.gz SWFWADVTLMTTCG-SECBINFHSA-N 0 0 197.307 1.799 10 0 ADAERN CNC(=O)N[C@H]1CCCC1(F)F 307373611 346002910 /nfs/dbraw/zinc/00/29/10/346002910.db2.gz SLZSNSRQJIVWLI-YFKPBYRVSA-N 0 0 178.182 1.103 10 0 ADAERN C[C@H](N1CCC(=O)C1)C(F)(F)F 307375392 346003036 /nfs/dbraw/zinc/00/30/36/346003036.db2.gz ZDNBUMVMESQJPX-YFKPBYRVSA-N 0 0 181.157 1.212 10 0 ADAERN C[C@@H](NC=O)[C@H]1CC1(C)C 307374596 346003041 /nfs/dbraw/zinc/00/30/41/346003041.db2.gz TWBWUZRTOCDEPK-RNFRBKRXSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@H](NC=O)[C@@H]1CC1(C)C 307374592 346003048 /nfs/dbraw/zinc/00/30/48/346003048.db2.gz TWBWUZRTOCDEPK-BQBZGAKWSA-N 0 0 141.214 1.167 10 0 ADAERN Cn1cnc(-c2cnc(C=O)s2)c1 307375037 346003061 /nfs/dbraw/zinc/00/30/61/346003061.db2.gz URZYKASHHJAVRT-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN C[C@@H](N1CCC(=O)C1)C(F)(F)F 307375391 346003084 /nfs/dbraw/zinc/00/30/84/346003084.db2.gz ZDNBUMVMESQJPX-RXMQYKEDSA-N 0 0 181.157 1.212 10 0 ADAERN C[C@H]1C(=O)NCC12CCCC2 307374952 346003089 /nfs/dbraw/zinc/00/30/89/346003089.db2.gz UCVQFRJHXITHOE-ZETCQYMHSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@@H]1C(=O)NCC12CCCC2 307374951 346003100 /nfs/dbraw/zinc/00/31/00/346003100.db2.gz UCVQFRJHXITHOE-SSDOTTSWSA-N 0 0 153.225 1.313 10 0 ADAERN Cc1ncc(C(=O)c2ccco2)n1C 307374847 346003134 /nfs/dbraw/zinc/00/31/34/346003134.db2.gz UKFFLOZTKVMSIJ-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN C[C@H](NC=O)[C@H]1CC1(C)C 307374594 346003234 /nfs/dbraw/zinc/00/32/34/346003234.db2.gz TWBWUZRTOCDEPK-NKWVEPMBSA-N 0 0 141.214 1.167 10 0 ADAERN c1cnnc(N2CCCCCC2)c1 307375174 346003272 /nfs/dbraw/zinc/00/32/72/346003272.db2.gz YPTCNTMAEYDHFM-UHFFFAOYSA-N 0 0 177.251 1.857 10 0 ADAERN C[C@@H](NC=O)[C@@H]1CC1(C)C 307374598 346003274 /nfs/dbraw/zinc/00/32/74/346003274.db2.gz TWBWUZRTOCDEPK-RQJHMYQMSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1cc(F)c(C(N)=O)cc1C 307375330 346003300 /nfs/dbraw/zinc/00/33/00/346003300.db2.gz UMIZNXQIBLUMSB-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN Cn1cnc(C(=O)C(C)(F)F)c1 307374781 346003410 /nfs/dbraw/zinc/00/34/10/346003410.db2.gz TZAVXVHDGMNBPO-UHFFFAOYSA-N 0 0 174.150 1.258 10 0 ADAERN C[C@@H]1CCS[C@H](c2cncnc2)N1 307376282 346003599 /nfs/dbraw/zinc/00/35/99/346003599.db2.gz VRCFZJLEHYSURQ-VXNVDRBHSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@H]1CC(=O)CCN1CCC(F)F 307375789 346003672 /nfs/dbraw/zinc/00/36/72/346003672.db2.gz ZNWAIOGRVDNXKK-ZETCQYMHSA-N 0 0 191.221 1.695 10 0 ADAERN Cc1ncc(NCc2ccco2)cn1 307376293 346003817 /nfs/dbraw/zinc/00/38/17/346003817.db2.gz VRWQKIIEXMQANH-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN C[C@@H]1CCS[C@@H](c2cncnc2)N1 307376273 346003888 /nfs/dbraw/zinc/00/38/88/346003888.db2.gz VRCFZJLEHYSURQ-APPZFPTMSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@H]1CCS[C@H](c2cncnc2)N1 307376279 346003902 /nfs/dbraw/zinc/00/39/02/346003902.db2.gz VRCFZJLEHYSURQ-IONNQARKSA-N 0 0 195.291 1.590 10 0 ADAERN C[C@H]1CCS[C@@H](c2cncnc2)N1 307376276 346003934 /nfs/dbraw/zinc/00/39/34/346003934.db2.gz VRCFZJLEHYSURQ-CBAPKCEASA-N 0 0 195.291 1.590 10 0 ADAERN C[C@@H]1CC(=O)CCN1CCC(F)F 307375788 346003937 /nfs/dbraw/zinc/00/39/37/346003937.db2.gz ZNWAIOGRVDNXKK-SSDOTTSWSA-N 0 0 191.221 1.695 10 0 ADAERN CCC(=O)NC(C)(C)CF 307376647 346004374 /nfs/dbraw/zinc/00/43/74/346004374.db2.gz BMYZRWLQGMAFIY-UHFFFAOYSA-N 0 0 147.193 1.261 10 0 ADAERN Nc1c(Cl)cccc1N1CC(O)C1 307377689 346004159 /nfs/dbraw/zinc/00/41/59/346004159.db2.gz XAMBKOWOYSYQDO-UHFFFAOYSA-N 0 0 198.653 1.103 10 0 ADAERN Cc1cocc1[C@H](N)c1cnns1 307376729 346004184 /nfs/dbraw/zinc/00/41/84/346004184.db2.gz VOCHGMDJMYSQEC-QMMMGPOBSA-N 0 0 195.247 1.488 10 0 ADAERN C=C(Cl)C(=O)Nc1n[nH]c(C)c1C 307376691 346004214 /nfs/dbraw/zinc/00/42/14/346004214.db2.gz VMOQQJWQIJHDAJ-UHFFFAOYSA-N 0 0 199.641 1.718 10 0 ADAERN Cc1cocc1[C@@H](N)c1cnns1 307376728 346004252 /nfs/dbraw/zinc/00/42/52/346004252.db2.gz VOCHGMDJMYSQEC-MRVPVSSYSA-N 0 0 195.247 1.488 10 0 ADAERN O=[S@@](Nc1cc[nH]n1)C1CCCC1 307377164 346004432 /nfs/dbraw/zinc/00/44/32/346004432.db2.gz BZGSXAFHOTWHCI-CYBMUJFWSA-N 0 0 199.279 1.428 10 0 ADAERN O=[S@](Nc1cc[nH]n1)C1CCCC1 307377165 346004441 /nfs/dbraw/zinc/00/44/41/346004441.db2.gz BZGSXAFHOTWHCI-ZDUSSCGKSA-N 0 0 199.279 1.428 10 0 ADAERN CC(C)(C)[C@@H]1NC(=O)[C@@H]1C1CC1 307378179 346004520 /nfs/dbraw/zinc/00/45/20/346004520.db2.gz XREJLGWPRHFHIP-HTQZYQBOSA-N 0 0 167.252 1.557 10 0 ADAERN CC(C)[C@H](C)NC(=O)N1CC[C@H]1C 307378800 346004547 /nfs/dbraw/zinc/00/45/47/346004547.db2.gz CXOSDVAQBWUQGQ-BDAKNGLRSA-N 0 0 184.283 1.835 10 0 ADAERN Cc1cnnc(N2CCCCC2)c1 307378421 346004592 /nfs/dbraw/zinc/00/45/92/346004592.db2.gz DBOURIKCWBXWON-UHFFFAOYSA-N 0 0 177.251 1.775 10 0 ADAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H]1C 307378809 346004603 /nfs/dbraw/zinc/00/46/03/346004603.db2.gz CXOSDVAQBWUQGQ-IUCAKERBSA-N 0 0 184.283 1.835 10 0 ADAERN C/C=C/CNc1nccc(N)n1 307378552 346004638 /nfs/dbraw/zinc/00/46/38/346004638.db2.gz XYWNLLFBOPXRON-NSCUHMNNSA-N 0 0 164.212 1.047 10 0 ADAERN CC(C)[C@@H](C)NC(=O)N1CC[C@@H]1C 307378804 346004648 /nfs/dbraw/zinc/00/46/48/346004648.db2.gz CXOSDVAQBWUQGQ-DTWKUNHWSA-N 0 0 184.283 1.835 10 0 ADAERN COc1ncc(C(=O)C(C)(C)F)cn1 307378094 346004714 /nfs/dbraw/zinc/00/47/14/346004714.db2.gz CMSPQMSFYOCHNA-UHFFFAOYSA-N 0 0 198.197 1.416 10 0 ADAERN Cc1cocc1C(=O)[C@@H]1CCOC1 307378090 346004737 /nfs/dbraw/zinc/00/47/37/346004737.db2.gz CMDMRNMHNVLYGS-MRVPVSSYSA-N 0 0 180.203 1.807 10 0 ADAERN CC(C)(C)[C@H]1NC(=O)[C@@H]1C1CC1 307378181 346004791 /nfs/dbraw/zinc/00/47/91/346004791.db2.gz XREJLGWPRHFHIP-SFYZADRCSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@H](C(N)=S)C(C)(C)C 307378894 346004783 /nfs/dbraw/zinc/00/47/83/346004783.db2.gz CZZFAULQUPPTAM-RXMQYKEDSA-N 0 0 145.271 1.955 10 0 ADAERN CC1(C)CC(NC(=O)C(C)(C)O)C1 307378775 346004870 /nfs/dbraw/zinc/00/48/70/346004870.db2.gz DMKDQWXUDOSXFC-UHFFFAOYSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)(C)[C@@H]1NC(=O)[C@H]1C1CC1 307378180 346004895 /nfs/dbraw/zinc/00/48/95/346004895.db2.gz XREJLGWPRHFHIP-JGVFFNPUSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H](C(N)=S)C(C)(C)C 307378895 346004905 /nfs/dbraw/zinc/00/49/05/346004905.db2.gz CZZFAULQUPPTAM-YFKPBYRVSA-N 0 0 145.271 1.955 10 0 ADAERN Cc1cocc1C(=O)[C@H]1CCOC1 307378091 346004916 /nfs/dbraw/zinc/00/49/16/346004916.db2.gz CMDMRNMHNVLYGS-QMMMGPOBSA-N 0 0 180.203 1.807 10 0 ADAERN CN(c1ccnc(N)n1)C(C)(C)C 307377849 346004927 /nfs/dbraw/zinc/00/49/27/346004927.db2.gz CKVMQQDJRLGULV-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN CC(C)[C@@H](C)NC(=O)N1CC[C@H]1C 307378814 346004993 /nfs/dbraw/zinc/00/49/93/346004993.db2.gz CXOSDVAQBWUQGQ-RKDXNWHRSA-N 0 0 184.283 1.835 10 0 ADAERN CC(C)(C)[C@H]1NC(=O)[C@H]1C1CC1 307378182 346005000 /nfs/dbraw/zinc/00/50/00/346005000.db2.gz XREJLGWPRHFHIP-YUMQZZPRSA-N 0 0 167.252 1.557 10 0 ADAERN Cc1ccc(C)n1Cc1cn[nH]n1 307379684 346005174 /nfs/dbraw/zinc/00/51/74/346005174.db2.gz XQLDEKGVTMBZQG-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN Cc1nc(Cl)cc(N2CCCO2)n1 307379571 346005322 /nfs/dbraw/zinc/00/53/22/346005322.db2.gz YWWADHCMUSAIIK-UHFFFAOYSA-N 0 0 199.641 1.580 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1cnnn1C 307379620 346005346 /nfs/dbraw/zinc/00/53/46/346005346.db2.gz ZCJIKQXZRDRJJT-GJMOJQLCSA-N 0 0 180.255 1.272 10 0 ADAERN CCCn1cc(Cl)nc1N 307379366 346005371 /nfs/dbraw/zinc/00/53/71/346005371.db2.gz YPFCWMFZBGOCQD-UHFFFAOYSA-N 0 0 159.620 1.529 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cnnn2C)[C@@H]1C 307379618 346005390 /nfs/dbraw/zinc/00/53/90/346005390.db2.gz ZCJIKQXZRDRJJT-BWZBUEFSSA-N 0 0 180.255 1.272 10 0 ADAERN C[C@@H]1[C@@H](Nc2cnnn2C)C[C@H]1C 307379619 346005498 /nfs/dbraw/zinc/00/54/98/346005498.db2.gz ZCJIKQXZRDRJJT-CSMHCCOUSA-N 0 0 180.255 1.272 10 0 ADAERN CSCC(=O)c1cc(C)ns1 307379008 346005521 /nfs/dbraw/zinc/00/55/21/346005521.db2.gz YJXHBDQVEKFWJD-UHFFFAOYSA-N 0 0 187.289 1.997 10 0 ADAERN Cc1nc(-c2nccnc2N)cs1 307379455 346005536 /nfs/dbraw/zinc/00/55/36/346005536.db2.gz YTTQOUSOYVPVOD-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1(C2(NC#N)CC2)CC1 307380084 346005853 /nfs/dbraw/zinc/00/58/53/346005853.db2.gz XXZYECXYLHJCKC-UHFFFAOYSA-N 0 0 136.198 1.390 10 0 ADAERN CNC(=O)NC1(C(C)C)CC1 307380525 346005881 /nfs/dbraw/zinc/00/58/81/346005881.db2.gz FQFRZCAQQGVLBN-UHFFFAOYSA-N 0 0 156.229 1.104 10 0 ADAERN CC1(C)C[C@@H]1c1cc(CO)[nH]n1 307380172 346005959 /nfs/dbraw/zinc/00/59/59/346005959.db2.gz YCJHZXNNHPKCIV-SSDOTTSWSA-N 0 0 166.224 1.416 10 0 ADAERN CC1(C)C[C@H]1c1cc(CO)[nH]n1 307380175 346005980 /nfs/dbraw/zinc/00/59/80/346005980.db2.gz YCJHZXNNHPKCIV-ZETCQYMHSA-N 0 0 166.224 1.416 10 0 ADAERN CC(F)(F)CNc1nccnc1N 307380311 346006005 /nfs/dbraw/zinc/00/60/05/346006005.db2.gz ZUEAHRHXGPBWIC-UHFFFAOYSA-N 0 0 188.181 1.126 10 0 ADAERN Cc1nc([C@H](O)c2ccc[nH]2)co1 307380268 346006009 /nfs/dbraw/zinc/00/60/09/346006009.db2.gz FNHHNBNXSPDMGO-SECBINFHSA-N 0 0 178.191 1.393 10 0 ADAERN O=C(c1cncs1)c1ccns1 307381685 346006240 /nfs/dbraw/zinc/00/62/40/346006240.db2.gz AHZXJDONMCCCSF-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)C(F)(F)F 307381364 346006296 /nfs/dbraw/zinc/00/62/96/346006296.db2.gz ZEXUHBJWARHGEO-FPFOFBBKSA-N 0 0 193.168 1.463 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]12CCS[C@H]2C 307381063 346006340 /nfs/dbraw/zinc/00/63/40/346006340.db2.gz YUETZDZKVXCNPS-GHCJXIJMSA-N 0 0 199.319 1.653 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@]12CCS[C@@H]2C 307381065 346006373 /nfs/dbraw/zinc/00/63/73/346006373.db2.gz YUETZDZKVXCNPS-QHOPCYEYSA-N 0 0 199.319 1.653 10 0 ADAERN Cc1ccnc(N[C@H]2C[C@@H]3C[C@@H]3C2)n1 307382051 346006382 /nfs/dbraw/zinc/00/63/82/346006382.db2.gz BHDPTDNRNQVSMS-ILWJIGKKSA-N 0 0 189.262 1.995 10 0 ADAERN C/C=C/CNc1cc(C)cnn1 307381945 346006416 /nfs/dbraw/zinc/00/64/16/346006416.db2.gz HKNBJCXBUCWSQP-ONEGZZNKSA-N 0 0 163.224 1.773 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]12CCS[C@@H]2C 307381064 346006420 /nfs/dbraw/zinc/00/64/20/346006420.db2.gz YUETZDZKVXCNPS-OORONAJNSA-N 0 0 199.319 1.653 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@]12CCS[C@H]2C 307381062 346006472 /nfs/dbraw/zinc/00/64/72/346006472.db2.gz YUETZDZKVXCNPS-AZQAYCESSA-N 0 0 199.319 1.653 10 0 ADAERN NC(=S)c1sc(=O)[nH]c1Cl 307381810 346006477 /nfs/dbraw/zinc/00/64/77/346006477.db2.gz ZOLGTDHXMBUCRX-UHFFFAOYSA-N 0 0 194.668 1.136 10 0 ADAERN Cc1cc(N)ccc1N[S@@](C)=O 307382246 346006843 /nfs/dbraw/zinc/00/68/43/346006843.db2.gz GSVYCUJMJIEAHC-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN Cc1cc(N)ccc1N[S@](C)=O 307382248 346007109 /nfs/dbraw/zinc/00/71/09/346007109.db2.gz GSVYCUJMJIEAHC-LBPRGKRZSA-N 0 0 184.264 1.283 10 0 ADAERN Cn1cc(C(=O)c2ccns2)cn1 307382660 346007111 /nfs/dbraw/zinc/00/71/11/346007111.db2.gz CHIIBSLRQJFOBZ-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN C[C@H](O)[C@H](O)C[C@@H]1CCCC1(F)F 307383184 346007346 /nfs/dbraw/zinc/00/73/46/346007346.db2.gz HJHGOTVJULPVHF-BIIVOSGPSA-N 0 0 194.221 1.554 10 0 ADAERN CONC[C@@H]1CCCC1(F)F 307382825 346007349 /nfs/dbraw/zinc/00/73/49/346007349.db2.gz HFAJWZPFSMBUBC-LURJTMIESA-N 0 0 165.183 1.573 10 0 ADAERN CSC[C@@H](C)CS(C)(=O)=O 307383152 346007417 /nfs/dbraw/zinc/00/74/17/346007417.db2.gz IJZGDXLQXQVURA-ZCFIWIBFSA-N 0 0 182.310 1.030 10 0 ADAERN C[C@H](O)[C@@H](O)C[C@@H]1CCCC1(F)F 307383191 346007445 /nfs/dbraw/zinc/00/74/45/346007445.db2.gz HJHGOTVJULPVHF-FXQIFTODSA-N 0 0 194.221 1.554 10 0 ADAERN COc1ccc(C)c2c1OCC2=O 307382823 346007472 /nfs/dbraw/zinc/00/74/72/346007472.db2.gz BKCGDUFLTFIHAZ-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN C[C@H](O)[C@@H](O)C[C@H]1CCCC1(F)F 307383198 346007483 /nfs/dbraw/zinc/00/74/83/346007483.db2.gz HJHGOTVJULPVHF-RNJXMRFFSA-N 0 0 194.221 1.554 10 0 ADAERN CSC[C@H](C)CS(C)(=O)=O 307383151 346007495 /nfs/dbraw/zinc/00/74/95/346007495.db2.gz IJZGDXLQXQVURA-LURJTMIESA-N 0 0 182.310 1.030 10 0 ADAERN Cn1cnc(-c2cnc(Cl)cn2)c1 307383017 346007504 /nfs/dbraw/zinc/00/75/04/346007504.db2.gz COMJQMMNDQORCG-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CONC[C@H]1CCCC1(F)F 307382832 346007547 /nfs/dbraw/zinc/00/75/47/346007547.db2.gz HFAJWZPFSMBUBC-ZCFIWIBFSA-N 0 0 165.183 1.573 10 0 ADAERN C[C@H](O)[C@H](O)C[C@H]1CCCC1(F)F 307383205 346007549 /nfs/dbraw/zinc/00/75/49/346007549.db2.gz HJHGOTVJULPVHF-XLPZGREQSA-N 0 0 194.221 1.554 10 0 ADAERN C[C@@]1(NC=O)CC=CCC1 307384317 346007989 /nfs/dbraw/zinc/00/79/89/346007989.db2.gz GCSDTEBPCXEWDB-MRVPVSSYSA-N 0 0 139.198 1.231 10 0 ADAERN C[C@]1(NC=O)CC=CCC1 307384318 346008047 /nfs/dbraw/zinc/00/80/47/346008047.db2.gz GCSDTEBPCXEWDB-QMMMGPOBSA-N 0 0 139.198 1.231 10 0 ADAERN Cc1nccc(-c2nc(Cl)no2)n1 307383776 346008093 /nfs/dbraw/zinc/00/80/93/346008093.db2.gz IVXFTIHFXKDMCI-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN CSCc1nc(C(C)=O)c[nH]1 307386065 346008710 /nfs/dbraw/zinc/00/87/10/346008710.db2.gz JOJBDEXFOHISHQ-UHFFFAOYSA-N 0 0 170.237 1.475 10 0 ADAERN C[C@H]1CCC[C@H]1n1cnc(N)n1 307386447 346008732 /nfs/dbraw/zinc/00/87/32/346008732.db2.gz KAZIJXKZSYVIJF-NKWVEPMBSA-N 0 0 166.228 1.221 10 0 ADAERN C/C=C/CNC(=O)C(C)(C)C 307385865 346008753 /nfs/dbraw/zinc/00/87/53/346008753.db2.gz KZKUNTMBRFQLJD-AATRIKPKSA-N 0 0 155.241 1.725 10 0 ADAERN C[C@@H]1CCC[C@H]1n1cnc(N)n1 307386448 346008991 /nfs/dbraw/zinc/00/89/91/346008991.db2.gz KAZIJXKZSYVIJF-RNFRBKRXSA-N 0 0 166.228 1.221 10 0 ADAERN c1cc(OCc2ccno2)ccn1 307386477 346009115 /nfs/dbraw/zinc/00/91/15/346009115.db2.gz KDOMMSJWNCKUJW-UHFFFAOYSA-N 0 0 176.175 1.649 10 0 ADAERN COc1cncc(O)c1C(F)(F)F 307386202 346009139 /nfs/dbraw/zinc/00/91/39/346009139.db2.gz LKGLBUAGQVRUKA-UHFFFAOYSA-N 0 0 193.124 1.815 10 0 ADAERN C[C@@H]1CCC[C@@H]1n1cnc(N)n1 307386449 346009161 /nfs/dbraw/zinc/00/91/61/346009161.db2.gz KAZIJXKZSYVIJF-RQJHMYQMSA-N 0 0 166.228 1.221 10 0 ADAERN CCC1(n2cc[nH]c2=O)CC1 307386519 346009446 /nfs/dbraw/zinc/00/94/46/346009446.db2.gz LSNXIZYPRWKLPG-UHFFFAOYSA-N 0 0 152.197 1.076 10 0 ADAERN CC[C@@](O)(c1cnc(C)n1C)C1CC1 307387257 346010002 /nfs/dbraw/zinc/01/00/02/346010002.db2.gz CCEBTZUBJXUWMP-NSHDSACASA-N 0 0 194.278 1.736 10 0 ADAERN CC1(C)OCC[C@H]1Nc1cn[nH]c1 307387336 346010038 /nfs/dbraw/zinc/01/00/38/346010038.db2.gz COQIGBUMKZGGMJ-MRVPVSSYSA-N 0 0 181.239 1.389 10 0 ADAERN CC1(C)OCC[C@@H]1Nc1cn[nH]c1 307387337 346010041 /nfs/dbraw/zinc/01/00/41/346010041.db2.gz COQIGBUMKZGGMJ-QMMMGPOBSA-N 0 0 181.239 1.389 10 0 ADAERN O=C(Nc1c[nH]cn1)C1CCC1 307387326 346010065 /nfs/dbraw/zinc/01/00/65/346010065.db2.gz CMBHMCKCILAYOX-UHFFFAOYSA-N 0 0 165.196 1.148 10 0 ADAERN COc1c[nH]cc(C)c1=O 307387188 346010173 /nfs/dbraw/zinc/01/01/73/346010173.db2.gz MGQKNEOWSYOBKZ-UHFFFAOYSA-N 0 0 139.154 1.104 10 0 ADAERN Nc1ncc(CNc2nccs2)o1 307387498 346010194 /nfs/dbraw/zinc/01/01/94/346010194.db2.gz CXMWYGBIMKQDNP-UHFFFAOYSA-N 0 0 196.235 1.325 10 0 ADAERN CC[C@](O)(c1cnc(C)n1C)C1CC1 307387256 346010273 /nfs/dbraw/zinc/01/02/73/346010273.db2.gz CCEBTZUBJXUWMP-LLVKDONJSA-N 0 0 194.278 1.736 10 0 ADAERN CCn1cnc(-c2ccc(C=O)o2)c1 307387339 346010352 /nfs/dbraw/zinc/01/03/52/346010352.db2.gz CPAUDXBAFNJLTJ-UHFFFAOYSA-N 0 0 190.202 1.976 10 0 ADAERN Cc1cc(N[C@@H](C)C(F)F)ncn1 307388275 346010572 /nfs/dbraw/zinc/01/05/72/346010572.db2.gz NZFFYZQFXSBMAE-LURJTMIESA-N 0 0 187.193 1.851 10 0 ADAERN O=C([O-])[C@H]1CC[C@H]1[N@H+]1CC=CCC1 307388760 346010589 /nfs/dbraw/zinc/01/05/89/346010589.db2.gz OVFGPPACJGKINK-DTWKUNHWSA-N 0 0 181.235 1.112 10 0 ADAERN O=C(NC1CCC1)[C@@H]1CCC1(F)F 307387893 346010608 /nfs/dbraw/zinc/01/06/08/346010608.db2.gz FLJIHNXTSCDXOB-ZETCQYMHSA-N 0 0 189.205 1.700 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]1[N@H+]1CC=CCC1 307388762 346010723 /nfs/dbraw/zinc/01/07/23/346010723.db2.gz OVFGPPACJGKINK-RKDXNWHRSA-N 0 0 181.235 1.112 10 0 ADAERN Cc1cc(N[C@H](C)C(F)F)ncn1 307388276 346010750 /nfs/dbraw/zinc/01/07/50/346010750.db2.gz NZFFYZQFXSBMAE-ZCFIWIBFSA-N 0 0 187.193 1.851 10 0 ADAERN O=C(NC1CCC1)[C@H]1CCC1(F)F 307387892 346010771 /nfs/dbraw/zinc/01/07/71/346010771.db2.gz FLJIHNXTSCDXOB-SSDOTTSWSA-N 0 0 189.205 1.700 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H]1[N@H+]1CC=CCC1 307388761 346010779 /nfs/dbraw/zinc/01/07/79/346010779.db2.gz OVFGPPACJGKINK-IUCAKERBSA-N 0 0 181.235 1.112 10 0 ADAERN CC1(C2N=NC(=S)N2C2CC2)CC1 307388093 346010788 /nfs/dbraw/zinc/01/07/88/346010788.db2.gz GHDCHUODUWWUFN-UHFFFAOYSA-N 0 0 195.291 1.953 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]1[N@H+]1CC=CCC1 307388759 346010871 /nfs/dbraw/zinc/01/08/71/346010871.db2.gz OVFGPPACJGKINK-BDAKNGLRSA-N 0 0 181.235 1.112 10 0 ADAERN CCCC1(NC#N)CC1 307389067 346011058 /nfs/dbraw/zinc/01/10/58/346011058.db2.gz PODAVWJKYKJZTP-UHFFFAOYSA-N 0 0 124.187 1.390 10 0 ADAERN CC[C@@H]1[C@@H](C)CCN1C(N)=S 307388844 346011088 /nfs/dbraw/zinc/01/10/88/346011088.db2.gz OZAKZMNLHGUCRF-NKWVEPMBSA-N 0 0 172.297 1.350 10 0 ADAERN CCCC(=O)N[C@@H]1CCOC1(C)C 307389619 346011123 /nfs/dbraw/zinc/01/11/23/346011123.db2.gz QXOUJMVVSXUFIW-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN CC(C)[C@H]1NC(=O)[C@@H]1C1CC1 307389467 346011150 /nfs/dbraw/zinc/01/11/50/346011150.db2.gz QTNKSCIGJYOHQD-HTQZYQBOSA-N 0 0 153.225 1.167 10 0 ADAERN CC[C@@H]1[C@H](C)CCN1C(N)=S 307388845 346011158 /nfs/dbraw/zinc/01/11/58/346011158.db2.gz OZAKZMNLHGUCRF-RNFRBKRXSA-N 0 0 172.297 1.350 10 0 ADAERN C/C=C/C(=O)NC1CC(C)(C)C1 307389139 346011163 /nfs/dbraw/zinc/01/11/63/346011163.db2.gz PVWSDKGVBVAJFR-SNAWJCMRSA-N 0 0 167.252 1.867 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@H]1C1CC1 307389470 346011211 /nfs/dbraw/zinc/01/12/11/346011211.db2.gz QTNKSCIGJYOHQD-YUMQZZPRSA-N 0 0 153.225 1.167 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@@H]1C1CC1 307389469 346011246 /nfs/dbraw/zinc/01/12/46/346011246.db2.gz QTNKSCIGJYOHQD-SFYZADRCSA-N 0 0 153.225 1.167 10 0 ADAERN CC[C@H]1[C@@H](C)CCN1C(N)=S 307388843 346011248 /nfs/dbraw/zinc/01/12/48/346011248.db2.gz OZAKZMNLHGUCRF-BQBZGAKWSA-N 0 0 172.297 1.350 10 0 ADAERN CC(=O)[C@H](C)Cc1cnns1 307389453 346011259 /nfs/dbraw/zinc/01/12/59/346011259.db2.gz 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/nfs/dbraw/zinc/01/18/64/346011864.db2.gz UJTXFFAUASUCAA-LURJTMIESA-N 0 0 141.214 1.311 10 0 ADAERN CC1(C)SC[C@@H]1NCC(F)F 307391771 346012180 /nfs/dbraw/zinc/01/21/80/346012180.db2.gz XAMWBGSDBNUFJC-YFKPBYRVSA-N 0 0 181.251 1.735 10 0 ADAERN CC(C)[C@@H]1NCN([C@H]2CC[C@H]2C)C1=O 307391264 346012221 /nfs/dbraw/zinc/01/22/21/346012221.db2.gz VRJWEQPXXPFNFY-UTLUCORTSA-N 0 0 196.294 1.199 10 0 ADAERN Nc1[nH]c(=O)[nH]c1CC1CCCC1 307391367 346012233 /nfs/dbraw/zinc/01/22/33/346012233.db2.gz WAMOGKPGAMOPFB-ZETCQYMHSA-N 0 0 181.239 1.016 10 0 ADAERN NC(=O)Oc1ccc(N)cc1Cl 307391091 346012303 /nfs/dbraw/zinc/01/23/03/346012303.db2.gz VGOJFKMOPLJAKB-UHFFFAOYSA-N 0 0 186.598 1.380 10 0 ADAERN CC1(C)SC[C@H]1NCC(F)F 307391770 346012319 /nfs/dbraw/zinc/01/23/19/346012319.db2.gz XAMWBGSDBNUFJC-RXMQYKEDSA-N 0 0 181.251 1.735 10 0 ADAERN CC(C)[C@@H]1NCN([C@H]2CC[C@@H]2C)C1=O 307391263 346012329 /nfs/dbraw/zinc/01/23/29/346012329.db2.gz VRJWEQPXXPFNFY-GUBZILKMSA-N 0 0 196.294 1.199 10 0 ADAERN 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307395900 346015781 /nfs/dbraw/zinc/01/57/81/346015781.db2.gz AJQPKLYCZOSJLD-ZETCQYMHSA-N 0 0 181.239 1.048 10 0 ADAERN Cc1cc(N2CC=CC2)c(C[NH3+])c[nH+]1 307396197 346015806 /nfs/dbraw/zinc/01/58/06/346015806.db2.gz QFMNUMMGSVIXAO-UHFFFAOYSA-N 0 0 189.262 1.225 10 0 ADAERN CCC[C@@H]1CNC(=O)[C@@H]1C 307396563 346015850 /nfs/dbraw/zinc/01/58/50/346015850.db2.gz SAVNKJFNFNJRAJ-RNFRBKRXSA-N 0 0 141.214 1.169 10 0 ADAERN CCC[C@H]1CNC(=O)[C@H]1C 307396561 346015859 /nfs/dbraw/zinc/01/58/59/346015859.db2.gz SAVNKJFNFNJRAJ-BQBZGAKWSA-N 0 0 141.214 1.169 10 0 ADAERN CCC[C@@H]1CNC(=O)[C@H]1C 307396562 346015913 /nfs/dbraw/zinc/01/59/13/346015913.db2.gz SAVNKJFNFNJRAJ-NKWVEPMBSA-N 0 0 141.214 1.169 10 0 ADAERN Cn1ccc(C(=O)[C@@]2(C)C[C@H]2F)n1 307396713 346015915 /nfs/dbraw/zinc/01/59/15/346015915.db2.gz SKSZWAFHWWYTPU-APPZFPTMSA-N 0 0 182.198 1.351 10 0 ADAERN NC(=S)N1CCCC12CCCC2 307396248 346015937 /nfs/dbraw/zinc/01/59/37/346015937.db2.gz QNDGWIUHDLCEBT-UHFFFAOYSA-N 0 0 184.308 1.639 10 0 ADAERN 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/nfs/dbraw/zinc/01/78/55/346017855.db2.gz XBYGSMZOOBPTEE-ZETCQYMHSA-N 0 0 165.240 1.826 10 0 ADAERN C[C@@H]1[C@@H](N2CCCNC2=O)C[C@H]1C 307399648 346017862 /nfs/dbraw/zinc/01/78/62/346017862.db2.gz AAKCEEJRZSDTPF-VGMNWLOBSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@H]1C[C@@H]1c1cc(=O)[nH][nH]1 307399724 346017887 /nfs/dbraw/zinc/01/78/87/346017887.db2.gz AJVPUVDHEVLXBW-WHFBIAKZSA-N 0 0 138.170 1.239 10 0 ADAERN C[C@@H]1C[C@@H](N2CCCNC2=O)[C@@H]1C 307399647 346017912 /nfs/dbraw/zinc/01/79/12/346017912.db2.gz AAKCEEJRZSDTPF-IWSPIJDZSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@H](C1CCC1)n1nccc1N 307399537 346017953 /nfs/dbraw/zinc/01/79/53/346017953.db2.gz XBYGSMZOOBPTEE-SSDOTTSWSA-N 0 0 165.240 1.826 10 0 ADAERN C[C@H]1C[C@H]1c1cc(=O)[nH][nH]1 307399721 346018007 /nfs/dbraw/zinc/01/80/07/346018007.db2.gz AJVPUVDHEVLXBW-CRCLSJGQSA-N 0 0 138.170 1.239 10 0 ADAERN CCOCC1=NC(=O)CS1 307398992 346018017 /nfs/dbraw/zinc/01/80/17/346018017.db2.gz ZXJCJCVOEFZJRW-UHFFFAOYSA-N 0 0 159.210 1.385 10 0 ADAERN C[C@@H]1C[C@@H]1c1cc(=O)[nH][nH]1 307399723 346018024 /nfs/dbraw/zinc/01/80/24/346018024.db2.gz AJVPUVDHEVLXBW-UHNVWZDZSA-N 0 0 138.170 1.239 10 0 ADAERN C[C@@H]1C[C@H]1c1cc(=O)[nH][nH]1 307399722 346018046 /nfs/dbraw/zinc/01/80/46/346018046.db2.gz AJVPUVDHEVLXBW-RFZPGFLSSA-N 0 0 138.170 1.239 10 0 ADAERN COc1cc(Cl)nn1C 307399755 346018486 /nfs/dbraw/zinc/01/84/86/346018486.db2.gz XRRJIBLZTLQVEP-UHFFFAOYSA-N 0 0 146.577 1.082 10 0 ADAERN CC(C)C(=O)[C@@H]1[C@H]2COC[C@H]21 307400210 346018521 /nfs/dbraw/zinc/01/85/21/346018521.db2.gz ZMAUGJIJOCBRSK-JIGDXULJSA-N 0 0 154.209 1.104 10 0 ADAERN CNCc1noc(C=C2CCCC2)n1 307400044 346018551 /nfs/dbraw/zinc/01/85/51/346018551.db2.gz YNKRFIQDVGJOKW-UHFFFAOYSA-N 0 0 193.250 1.746 10 0 ADAERN CCNc1ncc2c(n1)CCC2 307400533 346018892 /nfs/dbraw/zinc/01/88/92/346018892.db2.gz BCHYQUMEBPTIJY-UHFFFAOYSA-N 0 0 163.224 1.397 10 0 ADAERN CNc1cc2c(nn1)C(C)(C)OC2 307400889 346018958 /nfs/dbraw/zinc/01/89/58/346018958.db2.gz ITBUYDUCNQGAEG-UHFFFAOYSA-N 0 0 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CXWWMLVBHUNZOU-UTINFBMNSA-N 0 0 170.252 1.715 10 0 ADAERN FC(F)c1ncc[nH]c1=S 307401123 346019422 /nfs/dbraw/zinc/01/94/22/346019422.db2.gz ARQYZIJVZWGOJY-UHFFFAOYSA-N 0 0 162.164 1.703 10 0 ADAERN CCC(=O)c1cc(OC)ns1 307401722 346019443 /nfs/dbraw/zinc/01/94/43/346019443.db2.gz JBSUMRVIDSCBJE-UHFFFAOYSA-N 0 0 171.221 1.744 10 0 ADAERN CNc1ccc([C@H]2CCCO2)nn1 307401749 346019453 /nfs/dbraw/zinc/01/94/53/346019453.db2.gz AXWHVRNEARKLJL-MRVPVSSYSA-N 0 0 179.223 1.370 10 0 ADAERN CCc1ccc(N)c(C(=O)NC)c1 307401160 346019456 /nfs/dbraw/zinc/01/94/56/346019456.db2.gz BNDDLRHOLFOQAM-UHFFFAOYSA-N 0 0 178.235 1.191 10 0 ADAERN CNc1ccc([C@@H]2CCCO2)nn1 307401780 346019463 /nfs/dbraw/zinc/01/94/63/346019463.db2.gz AXWHVRNEARKLJL-QMMMGPOBSA-N 0 0 179.223 1.370 10 0 ADAERN O=C1CSC(Cn2cccn2)=N1 307401779 346019481 /nfs/dbraw/zinc/01/94/81/346019481.db2.gz JGCNXCOAOXQMIM-UHFFFAOYSA-N 0 0 181.220 1.094 10 0 ADAERN CCC1(C(=O)N(C)C#N)CCCC1 307401641 346019495 /nfs/dbraw/zinc/01/94/95/346019495.db2.gz BRGPELITBHWAMM-UHFFFAOYSA-N 0 0 180.251 1.896 10 0 ADAERN Cc1nc(C(=O)c2ccns2)co1 307402191 346019500 /nfs/dbraw/zinc/01/95/00/346019500.db2.gz BVVJLJLOEKZFNE-UHFFFAOYSA-N 0 0 194.215 1.671 10 0 ADAERN COCc1nc(C(C)(C)C)n(C)c1N 307401970 346019557 /nfs/dbraw/zinc/01/95/57/346019557.db2.gz AQWLWEIOEZXGIA-UHFFFAOYSA-N 0 0 197.282 1.446 10 0 ADAERN COc1ncc(C(=O)C(F)F)s1 307401192 346019586 /nfs/dbraw/zinc/01/95/86/346019586.db2.gz ASUZMVPLIKAMSR-UHFFFAOYSA-N 0 0 193.174 1.600 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)CC(F)(F)F 307401249 346019633 /nfs/dbraw/zinc/01/96/33/346019633.db2.gz AWKUJWCDOSEIHP-WHFBIAKZSA-N 0 0 181.157 1.463 10 0 ADAERN Cc1c[nH]c(N2CCOCC2(C)C)n1 307401772 346019640 /nfs/dbraw/zinc/01/96/40/346019640.db2.gz JFQVRPWVINCUJU-UHFFFAOYSA-N 0 0 195.266 1.333 10 0 ADAERN c1ccn(C2COCCOC2)c1 307402259 346019946 /nfs/dbraw/zinc/01/99/46/346019946.db2.gz BFRDHVJRTKABGC-UHFFFAOYSA-N 0 0 167.208 1.076 10 0 ADAERN CC1CN(C(=O)C[C@@H]2C=CCC2)C1 307402671 346020145 /nfs/dbraw/zinc/02/01/45/346020145.db2.gz DRRUUAYYFWZTRF-SNVBAGLBSA-N 0 0 179.263 1.821 10 0 ADAERN Cc1csc2c1NC(=O)[C@H]2O 307402722 346020161 /nfs/dbraw/zinc/02/01/61/346020161.db2.gz BWMOYFPLXJTDNI-YFKPBYRVSA-N 0 0 169.205 1.042 10 0 ADAERN Cc1csc2c1NC(=O)[C@@H]2O 307402716 346020349 /nfs/dbraw/zinc/02/03/49/346020349.db2.gz BWMOYFPLXJTDNI-RXMQYKEDSA-N 0 0 169.205 1.042 10 0 ADAERN NN[C@@H](c1ccns1)C1CC1 307403127 346020628 /nfs/dbraw/zinc/02/06/28/346020628.db2.gz BSMQESVFWPFLTM-SSDOTTSWSA-N 0 0 169.253 1.058 10 0 ADAERN C[S@](=O)Nc1cc(F)ccc1O 307403200 346020630 /nfs/dbraw/zinc/02/06/30/346020630.db2.gz CJRDJDIETXTKIB-LBPRGKRZSA-N 0 0 189.211 1.237 10 0 ADAERN C[S@@](=O)Nc1cc(F)ccc1O 307403199 346020632 /nfs/dbraw/zinc/02/06/32/346020632.db2.gz CJRDJDIETXTKIB-GFCCVEGCSA-N 0 0 189.211 1.237 10 0 ADAERN CC1(C[C@@H](O)c2nc[nH]n2)CCCC1 307402820 346020637 /nfs/dbraw/zinc/02/06/37/346020637.db2.gz BXVGUVYNWCTCQL-MRVPVSSYSA-N 0 0 195.266 1.809 10 0 ADAERN 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/nfs/dbraw/zinc/02/19/09/346021909.db2.gz CFRCXWKXKZPJRC-UHFFFAOYSA-N 0 0 198.266 1.365 10 0 ADAERN Cc1cc(N[S@@](C)=O)ccc1O 307405050 346022105 /nfs/dbraw/zinc/02/21/05/346022105.db2.gz CQANGFKNNRJRHP-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN CCC(C)(C)[C@H]1NC(=S)NC1=O 307405193 346022361 /nfs/dbraw/zinc/02/23/61/346022361.db2.gz DOUYQTKAQNWVEL-YFKPBYRVSA-N 0 0 186.280 1.207 10 0 ADAERN O=C1NCC[C@H]1CC1CC(F)(F)C1 307405337 346022723 /nfs/dbraw/zinc/02/27/23/346022723.db2.gz DZNALOCNYHEMFN-ZETCQYMHSA-N 0 0 189.205 1.558 10 0 ADAERN O=C(c1ccsn1)[C@H]1CCCCO1 307405979 346022970 /nfs/dbraw/zinc/02/29/70/346022970.db2.gz FWIZIJWDSJKXMS-MRVPVSSYSA-N 0 0 197.259 1.895 10 0 ADAERN CC1(C)CC2(CNC(=O)C2)C1 307406376 346022988 /nfs/dbraw/zinc/02/29/88/346022988.db2.gz FMPOAQRJGDDWBQ-UHFFFAOYSA-N 0 0 153.225 1.313 10 0 ADAERN CCCNC(=O)Nc1oncc1C 307406178 346023001 /nfs/dbraw/zinc/02/30/01/346023001.db2.gz CFFJUUQSBUEXSA-UHFFFAOYSA-N 0 0 183.211 1.515 10 0 ADAERN COC(=O)CC[C@@H](C)SC 307406212 346023018 /nfs/dbraw/zinc/02/30/18/346023018.db2.gz CZDVRXFTROITCF-ZCFIWIBFSA-N 0 0 162.254 1.691 10 0 ADAERN COC(=O)CC[C@H](C)SC 307406210 346023058 /nfs/dbraw/zinc/02/30/58/346023058.db2.gz CZDVRXFTROITCF-LURJTMIESA-N 0 0 162.254 1.691 10 0 ADAERN CCn1cnc([C@H](N)C(F)F)c1 307406016 346023064 /nfs/dbraw/zinc/02/30/64/346023064.db2.gz DCACCIANMMJCCP-LURJTMIESA-N 0 0 175.182 1.168 10 0 ADAERN COC(=O)c1cncc2cc[nH]c12 307406435 346023073 /nfs/dbraw/zinc/02/30/73/346023073.db2.gz KDXHKRDOVRKGPA-UHFFFAOYSA-N 0 0 176.175 1.301 10 0 ADAERN COC(C)(C)C(=O)c1ccsn1 307406176 346023228 /nfs/dbraw/zinc/02/32/28/346023228.db2.gz DDXRUXFAZYOUKA-UHFFFAOYSA-N 0 0 185.248 1.751 10 0 ADAERN O=C(c1ccsn1)[C@@H]1CCCCO1 307405983 346023281 /nfs/dbraw/zinc/02/32/81/346023281.db2.gz FWIZIJWDSJKXMS-QMMMGPOBSA-N 0 0 197.259 1.895 10 0 ADAERN CCn1cnc([C@@H](N)C(F)F)c1 307406020 346023290 /nfs/dbraw/zinc/02/32/90/346023290.db2.gz DCACCIANMMJCCP-ZCFIWIBFSA-N 0 0 175.182 1.168 10 0 ADAERN CCc1csc(N2CCC(=O)C2)n1 307407084 346023494 /nfs/dbraw/zinc/02/34/94/346023494.db2.gz GQQWRDKCDGIGOV-UHFFFAOYSA-N 0 0 196.275 1.485 10 0 ADAERN CC(C)n1ncnc1CN1CCCC1 307406813 346023533 /nfs/dbraw/zinc/02/35/33/346023533.db2.gz DQKVSNMHQSEYJO-UHFFFAOYSA-N 0 0 194.282 1.455 10 0 ADAERN Cc1ccnn1CCc1cn[nH]c1 307407247 346023603 /nfs/dbraw/zinc/02/36/03/346023603.db2.gz DLXBFOLAYBHUOV-UHFFFAOYSA-N 0 0 176.223 1.157 10 0 ADAERN NNCCSC1CCCC1 307406870 346023765 /nfs/dbraw/zinc/02/37/65/346023765.db2.gz DSFHECPRLVRRKT-UHFFFAOYSA-N 0 0 160.286 1.126 10 0 ADAERN Cn1c(C(C)(F)F)n[nH]c1=S 307407640 346024062 /nfs/dbraw/zinc/02/40/62/346024062.db2.gz LTLVATZRFISRFB-UHFFFAOYSA-N 0 0 179.195 1.216 10 0 ADAERN O=C(Nc1c[nH]cn1)c1cscn1 307407555 346024094 /nfs/dbraw/zinc/02/40/94/346024094.db2.gz LFGYZLLHYFQACH-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN c1cnnc(N[C@@H]2[C@H]3CCC[C@H]32)c1 307408166 346024121 /nfs/dbraw/zinc/02/41/21/346024121.db2.gz DUAPXORFKRHCIA-MBTKJCJQSA-N 0 0 175.235 1.687 10 0 ADAERN O=C1N[C@@H](C2CCCC2)C12CCC2 307407895 346024166 /nfs/dbraw/zinc/02/41/66/346024166.db2.gz HICXZCXKUSLGLQ-VIFPVBQESA-N 0 0 179.263 1.845 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1NC(N)=S 307407765 346024193 /nfs/dbraw/zinc/02/41/93/346024193.db2.gz ODSRNOREJRQZJJ-RQJHMYQMSA-N 0 0 172.297 1.254 10 0 ADAERN O=C1N[C@H](C2CCCC2)C12CCC2 307407894 346024208 /nfs/dbraw/zinc/02/42/08/346024208.db2.gz HICXZCXKUSLGLQ-SECBINFHSA-N 0 0 179.263 1.845 10 0 ADAERN CC(C)C[C@H]1C[C@H]1NC(N)=S 307407763 346024252 /nfs/dbraw/zinc/02/42/52/346024252.db2.gz ODSRNOREJRQZJJ-NKWVEPMBSA-N 0 0 172.297 1.254 10 0 ADAERN CC(C)C[C@H]1C[C@@H]1NC(N)=S 307407762 346024286 /nfs/dbraw/zinc/02/42/86/346024286.db2.gz ODSRNOREJRQZJJ-BQBZGAKWSA-N 0 0 172.297 1.254 10 0 ADAERN CC(C)C=CC(=O)Nc1cn[nH]c1 307407490 346024476 /nfs/dbraw/zinc/02/44/76/346024476.db2.gz DPUFUUHQDNDRSI-ONEGZZNKSA-N 0 0 179.223 1.560 10 0 ADAERN CC(C)C[C@@H]1C[C@H]1NC(N)=S 307407764 346024498 /nfs/dbraw/zinc/02/44/98/346024498.db2.gz ODSRNOREJRQZJJ-RNFRBKRXSA-N 0 0 172.297 1.254 10 0 ADAERN CC(C)n1ncnc1C1(O)CCC1 307407474 346024502 /nfs/dbraw/zinc/02/45/02/346024502.db2.gz DPPOVDVGQRUTFX-UHFFFAOYSA-N 0 0 181.239 1.231 10 0 ADAERN CC1CN(c2cncc(Cl)n2)C1 307408702 346024669 /nfs/dbraw/zinc/02/46/69/346024669.db2.gz FHHPGFUKCBNFFE-UHFFFAOYSA-N 0 0 183.642 1.586 10 0 ADAERN ONc1nc(Cl)cs1 307408424 346024714 /nfs/dbraw/zinc/02/47/14/346024714.db2.gz MIBDDUSLTOTJLX-UHFFFAOYSA-N 0 0 150.590 1.598 10 0 ADAERN CCNC(=O)N1CC[C@@H](C)[C@@H](F)C1 307408299 346024753 /nfs/dbraw/zinc/02/47/53/346024753.db2.gz DYCMEUMTYVDBFM-SFYZADRCSA-N 0 0 188.246 1.396 10 0 ADAERN CCc1c[nH]c(N(C)CC)n1 307408401 346024762 /nfs/dbraw/zinc/02/47/62/346024762.db2.gz MFPFMDCDNNIYGJ-UHFFFAOYSA-N 0 0 153.229 1.428 10 0 ADAERN C/C=C/C(=O)NC1CC(F)(F)C1 307408709 346024850 /nfs/dbraw/zinc/02/48/50/346024850.db2.gz FHIYPLCLELYHGQ-NSCUHMNNSA-N 0 0 175.178 1.476 10 0 ADAERN CCNC(=O)N1CC[C@@H](C)[C@H](F)C1 307408282 346025017 /nfs/dbraw/zinc/02/50/17/346025017.db2.gz DYCMEUMTYVDBFM-HTQZYQBOSA-N 0 0 188.246 1.396 10 0 ADAERN CCNC(=O)N1CC[C@H](C)[C@@H](F)C1 307408309 346024954 /nfs/dbraw/zinc/02/49/54/346024954.db2.gz DYCMEUMTYVDBFM-YUMQZZPRSA-N 0 0 188.246 1.396 10 0 ADAERN N[C@@H](c1ccncc1)c1ccns1 307409234 346025292 /nfs/dbraw/zinc/02/52/92/346025292.db2.gz FNWQJLADCHKNRL-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN Cc1ncc([C@@H]2CC(=O)N2)s1 307408886 346025401 /nfs/dbraw/zinc/02/54/01/346025401.db2.gz FPYQOBYZYUOCJI-YFKPBYRVSA-N 0 0 168.221 1.013 10 0 ADAERN O=C(NC1CCC1)[C@H]1CC[C@H](F)C1 307409140 346025406 /nfs/dbraw/zinc/02/54/06/346025406.db2.gz MWEXPAGKIZSDKY-YUMQZZPRSA-N 0 0 185.242 1.793 10 0 ADAERN N[C@H](c1ccncc1)c1ccns1 307409233 346025412 /nfs/dbraw/zinc/02/54/12/346025412.db2.gz FNWQJLADCHKNRL-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN CC(C)[C@@H](C)c1nc(O)cc(=O)[nH]1 307409206 346025417 /nfs/dbraw/zinc/02/54/17/346025417.db2.gz FIPSJVLSOVAHCX-ZCFIWIBFSA-N 0 0 182.223 1.647 10 0 ADAERN O=C(NC1CCC1)[C@@H]1CC[C@H](F)C1 307409139 346025457 /nfs/dbraw/zinc/02/54/57/346025457.db2.gz MWEXPAGKIZSDKY-SFYZADRCSA-N 0 0 185.242 1.793 10 0 ADAERN CC(C)[C@H](C)c1nc(O)cc(=O)[nH]1 307409205 346025482 /nfs/dbraw/zinc/02/54/82/346025482.db2.gz FIPSJVLSOVAHCX-LURJTMIESA-N 0 0 182.223 1.647 10 0 ADAERN C[C@H]1CC[C@@H](C)[N@@H+]1Cc1ncc[nH]1 307409134 346025531 /nfs/dbraw/zinc/02/55/31/346025531.db2.gz MVDXZNUFIZNKGD-DTORHVGOSA-N 0 0 179.267 1.783 10 0 ADAERN O=C(NC1CCC1)[C@H]1CC[C@@H](F)C1 307409138 346025570 /nfs/dbraw/zinc/02/55/70/346025570.db2.gz MWEXPAGKIZSDKY-JGVFFNPUSA-N 0 0 185.242 1.793 10 0 ADAERN CNC(=O)Cc1cccc(C)c1Cl 307408981 346025573 /nfs/dbraw/zinc/02/55/73/346025573.db2.gz FXVQMPUZLLMZHJ-UHFFFAOYSA-N 0 0 197.665 1.937 10 0 ADAERN Cc1cn(Cc2cncn2C)cc1C 307409259 346025574 /nfs/dbraw/zinc/02/55/74/346025574.db2.gz FPWNXFLXJWNBNV-UHFFFAOYSA-N 0 0 189.262 1.887 10 0 ADAERN O=C(NC1CCC1)[C@@H]1CC[C@@H](F)C1 307409137 346025576 /nfs/dbraw/zinc/02/55/76/346025576.db2.gz MWEXPAGKIZSDKY-HTQZYQBOSA-N 0 0 185.242 1.793 10 0 ADAERN CC(C)(C)C(=O)N1Cc2c[nH]nc2C1 307409252 346025597 /nfs/dbraw/zinc/02/55/97/346025597.db2.gz FPPAJKPXRMTCJT-UHFFFAOYSA-N 0 0 193.250 1.298 10 0 ADAERN Cc1ncc([C@H]2CC(=O)N2)s1 307408885 346025622 /nfs/dbraw/zinc/02/56/22/346025622.db2.gz FPYQOBYZYUOCJI-RXMQYKEDSA-N 0 0 168.221 1.013 10 0 ADAERN O[C@@H](c1ccsn1)c1ncccn1 307409707 346025942 /nfs/dbraw/zinc/02/59/42/346025942.db2.gz IOGJPVKPOISDOM-ZETCQYMHSA-N 0 0 193.231 1.015 10 0 ADAERN O=C=C1CC=CC2=C1OC(F)(F)O2 307409611 346025991 /nfs/dbraw/zinc/02/59/91/346025991.db2.gz QJSVNOJDNQJXGO-UHFFFAOYSA-N 0 0 186.113 1.513 10 0 ADAERN CNC(=S)N[C@@H]1CCCC1(F)F 307409564 346026205 /nfs/dbraw/zinc/02/62/05/346026205.db2.gz QBHSSWJKVBAVDE-RXMQYKEDSA-N 0 0 194.250 1.268 10 0 ADAERN CC1(C)OC[C@H](CC2CC2)C1=O 307409678 346026213 /nfs/dbraw/zinc/02/62/13/346026213.db2.gz IMVGGSTWTYZMEU-QMMMGPOBSA-N 0 0 168.236 1.781 10 0 ADAERN O[C@H](c1ccsn1)c1ncccn1 307409705 346026215 /nfs/dbraw/zinc/02/62/15/346026215.db2.gz IOGJPVKPOISDOM-SSDOTTSWSA-N 0 0 193.231 1.015 10 0 ADAERN Clc1nncc2[nH]ccc12 307409857 346026269 /nfs/dbraw/zinc/02/62/69/346026269.db2.gz OCOOHQJGJRCJJG-UHFFFAOYSA-N 0 0 153.572 1.563 10 0 ADAERN CCCNc1cnc(C)nc1 307411438 346026565 /nfs/dbraw/zinc/02/65/65/346026565.db2.gz GCZHOFNHPGOHJG-UHFFFAOYSA-N 0 0 151.213 1.607 10 0 ADAERN CC(C)[C@H]1NC(=O)[C@@H]1C1CCC1 307411528 346026642 /nfs/dbraw/zinc/02/66/42/346026642.db2.gz HNGBPBPJFJSYPV-RKDXNWHRSA-N 0 0 167.252 1.557 10 0 ADAERN Cc1cnn(C)c1C(=O)c1ccoc1 307410897 346026656 /nfs/dbraw/zinc/02/66/56/346026656.db2.gz HBJIZYUCPUQOII-UHFFFAOYSA-N 0 0 190.202 1.553 10 0 ADAERN CC(F)(F)[C@@H](O)CC1CCOCC1 307410373 346026671 /nfs/dbraw/zinc/02/66/71/346026671.db2.gz JBAOSQSXACYIID-QMMMGPOBSA-N 0 0 194.221 1.819 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@H]1C1CCC1 307411527 346026676 /nfs/dbraw/zinc/02/66/76/346026676.db2.gz HNGBPBPJFJSYPV-IUCAKERBSA-N 0 0 167.252 1.557 10 0 ADAERN CC(F)(F)[C@H](O)CC1CCOCC1 307410369 346026708 /nfs/dbraw/zinc/02/67/08/346026708.db2.gz JBAOSQSXACYIID-MRVPVSSYSA-N 0 0 194.221 1.819 10 0 ADAERN Cc1cc(=S)[nH]c(CN2CCC2)n1 307410504 346026719 /nfs/dbraw/zinc/02/67/19/346026719.db2.gz OXUWCCPUJWULBY-UHFFFAOYSA-N 0 0 195.291 1.653 10 0 ADAERN CC(C)[C@@H]1NC(=O)[C@@H]1C1CCC1 307411524 346026757 /nfs/dbraw/zinc/02/67/57/346026757.db2.gz HNGBPBPJFJSYPV-BDAKNGLRSA-N 0 0 167.252 1.557 10 0 ADAERN CC[C@H](C)c1cc(NC(C)=O)n[nH]1 307411314 346026787 /nfs/dbraw/zinc/02/67/87/346026787.db2.gz HEGCXWMYBVEZQI-LURJTMIESA-N 0 0 181.239 1.882 10 0 ADAERN CC(C)[C@H]1NC(=O)[C@H]1C1CCC1 307411526 346026794 /nfs/dbraw/zinc/02/67/94/346026794.db2.gz HNGBPBPJFJSYPV-DTWKUNHWSA-N 0 0 167.252 1.557 10 0 ADAERN CC[C@@H](C)c1cc(NC(C)=O)n[nH]1 307411320 346026896 /nfs/dbraw/zinc/02/68/96/346026896.db2.gz HEGCXWMYBVEZQI-ZCFIWIBFSA-N 0 0 181.239 1.882 10 0 ADAERN C[C@H]1C[C@@H]1NC(=S)NC(C)(C)C 307412034 346027080 /nfs/dbraw/zinc/02/70/80/346027080.db2.gz HPAQJCHUPIEOAE-BQBZGAKWSA-N 0 0 186.324 1.657 10 0 ADAERN O[C@]1(c2ccc[nH]2)CC[C@@H]2C[C@@H]21 307411823 346027254 /nfs/dbraw/zinc/02/72/54/346027254.db2.gz KGRRYCJUMMSXJW-KHQFGBGNSA-N 0 0 163.220 1.632 10 0 ADAERN O=C1CCCc2c1ccn2CCF 307411756 346027276 /nfs/dbraw/zinc/02/72/76/346027276.db2.gz QOUIUWQPTCWUTB-UHFFFAOYSA-N 0 0 181.210 1.977 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=S)NC(C)(C)C 307412039 346027281 /nfs/dbraw/zinc/02/72/81/346027281.db2.gz HPAQJCHUPIEOAE-RQJHMYQMSA-N 0 0 186.324 1.657 10 0 ADAERN O=C(Nc1ccon1)c1cc[nH]c1 307411646 346027333 /nfs/dbraw/zinc/02/73/33/346027333.db2.gz QHYBRNFEOOBGIB-UHFFFAOYSA-N 0 0 177.163 1.255 10 0 ADAERN O[C@]1(c2ccc[nH]2)CC[C@H]2C[C@H]21 307411832 346027374 /nfs/dbraw/zinc/02/73/74/346027374.db2.gz KGRRYCJUMMSXJW-QXFUBDJGSA-N 0 0 163.220 1.632 10 0 ADAERN NC(=O)c1cc(F)cc(F)c1Cl 307412305 346027379 /nfs/dbraw/zinc/02/73/79/346027379.db2.gz GQMYOCFMXLRSIG-UHFFFAOYSA-N 0 0 191.564 1.717 10 0 ADAERN Nc1ccc(F)c(F)c1N1CCC1 307411992 346027397 /nfs/dbraw/zinc/02/73/97/346027397.db2.gz RUYKXOTZXMKRRT-UHFFFAOYSA-N 0 0 184.189 1.757 10 0 ADAERN OCc1cc(F)c(N2CCC2)c(F)c1 307412275 346027404 /nfs/dbraw/zinc/02/74/04/346027404.db2.gz GMHZLZWMUWACPN-UHFFFAOYSA-N 0 0 199.200 1.667 10 0 ADAERN C[C@H]1C[C@H]1NC(=S)NC(C)(C)C 307412038 346027435 /nfs/dbraw/zinc/02/74/35/346027435.db2.gz HPAQJCHUPIEOAE-NKWVEPMBSA-N 0 0 186.324 1.657 10 0 ADAERN COC(C)(C)[C@@H]1CC(=O)CCO1 307413343 346027831 /nfs/dbraw/zinc/02/78/31/346027831.db2.gz UIGAZOOSLUACOR-QMMMGPOBSA-N 0 0 172.224 1.160 10 0 ADAERN CCn1cc(N)c([C@H]2CCCO2)n1 307413735 346027992 /nfs/dbraw/zinc/02/79/92/346027992.db2.gz SFDAWWLDJRAVNY-MRVPVSSYSA-N 0 0 181.239 1.337 10 0 ADAERN CCC[C@@](C)(O)c1c(C)cnn1C 307413801 346028089 /nfs/dbraw/zinc/02/80/89/346028089.db2.gz SKLYYQGDULUUCT-SNVBAGLBSA-N 0 0 182.267 1.736 10 0 ADAERN COC(C)(C)[C@H]1CC(=O)CCO1 307413342 346028126 /nfs/dbraw/zinc/02/81/26/346028126.db2.gz UIGAZOOSLUACOR-MRVPVSSYSA-N 0 0 172.224 1.160 10 0 ADAERN CCC[C@](C)(O)c1c(C)cnn1C 307413798 346028247 /nfs/dbraw/zinc/02/82/47/346028247.db2.gz SKLYYQGDULUUCT-JTQLQIEISA-N 0 0 182.267 1.736 10 0 ADAERN CCn1cc(N)c([C@@H]2CCCO2)n1 307413736 346028259 /nfs/dbraw/zinc/02/82/59/346028259.db2.gz SFDAWWLDJRAVNY-QMMMGPOBSA-N 0 0 181.239 1.337 10 0 ADAERN Cc1nn(C)cc1[C@]1(O)CCC1(C)C 307414483 346028409 /nfs/dbraw/zinc/02/84/09/346028409.db2.gz JXRZDFXLTSGIDN-LLVKDONJSA-N 0 0 194.278 1.736 10 0 ADAERN COc1cncnc1NC1(C)CC1 307414356 346028465 /nfs/dbraw/zinc/02/84/65/346028465.db2.gz TWQDFMWRDYZKSY-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN C1=C(CNc2ncns2)COCC1 307414183 346028542 /nfs/dbraw/zinc/02/85/42/346028542.db2.gz HVGKDZCFKAHBAS-UHFFFAOYSA-N 0 0 197.263 1.297 10 0 ADAERN Cc1[nH]ccc1C(=O)N[C@H]1C[C@H]1C 307414366 346028669 /nfs/dbraw/zinc/02/86/69/346028669.db2.gz TXQCGOFDKLJICP-MUWHJKNJSA-N 0 0 178.235 1.461 10 0 ADAERN Cc1nn(C)cc1[C@@]1(O)CCC1(C)C 307414484 346028677 /nfs/dbraw/zinc/02/86/77/346028677.db2.gz JXRZDFXLTSGIDN-NSHDSACASA-N 0 0 194.278 1.736 10 0 ADAERN Cc1[nH]ccc1C(=O)N[C@@H]1C[C@@H]1C 307414365 346028731 /nfs/dbraw/zinc/02/87/31/346028731.db2.gz TXQCGOFDKLJICP-IMTBSYHQSA-N 0 0 178.235 1.461 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@@H]1CCCSC1 307414712 346029140 /nfs/dbraw/zinc/02/91/40/346029140.db2.gz MBIGJWKEPJPANB-HTQZYQBOSA-N 0 0 199.319 1.654 10 0 ADAERN O=c1ccc(NC2CCC2)c[nH]1 307414717 346029111 /nfs/dbraw/zinc/02/91/11/346029111.db2.gz MBKSAYZAVMERLQ-UHFFFAOYSA-N 0 0 164.208 1.752 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@H]1CCCSC1 307414713 346029115 /nfs/dbraw/zinc/02/91/15/346029115.db2.gz MBIGJWKEPJPANB-JGVFFNPUSA-N 0 0 199.319 1.654 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@@H]1CCCSC1 307414714 346029136 /nfs/dbraw/zinc/02/91/36/346029136.db2.gz MBIGJWKEPJPANB-SFYZADRCSA-N 0 0 199.319 1.654 10 0 ADAERN CC1(CCNN)CCC1 307414952 346029142 /nfs/dbraw/zinc/02/91/42/346029142.db2.gz WSWSFGFDOKGDBF-UHFFFAOYSA-N 0 0 128.219 1.030 10 0 ADAERN CC1(C)COC[C@@H]1Nc1cn[nH]c1 307414699 346029164 /nfs/dbraw/zinc/02/91/64/346029164.db2.gz WQUDCDDDPQAJIE-QMMMGPOBSA-N 0 0 181.239 1.247 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@H]1CCCSC1 307414716 346029172 /nfs/dbraw/zinc/02/91/72/346029172.db2.gz MBIGJWKEPJPANB-YUMQZZPRSA-N 0 0 199.319 1.654 10 0 ADAERN Cc1cc(O)ccc1-c1cnn(C)n1 307414794 346029188 /nfs/dbraw/zinc/02/91/88/346029188.db2.gz MKPWHIFJMSYBRB-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN CC1(C)COC[C@H]1Nc1cn[nH]c1 307414697 346029210 /nfs/dbraw/zinc/02/92/10/346029210.db2.gz WQUDCDDDPQAJIE-MRVPVSSYSA-N 0 0 181.239 1.247 10 0 ADAERN Cc1cnccc1C1N=NC(=S)N1 307415658 346029284 /nfs/dbraw/zinc/02/92/84/346029284.db2.gz UVTQOWVNFHUXTE-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN Cc1cccc(C2=NC(=O)CS2)n1 307415670 346029320 /nfs/dbraw/zinc/02/93/20/346029320.db2.gz UXNPNMXOIIDKSI-UHFFFAOYSA-N 0 0 192.243 1.410 10 0 ADAERN Cc1cnccc1N1CCC(=O)C1 307416095 346029379 /nfs/dbraw/zinc/02/93/79/346029379.db2.gz LCQGSRFNMRGBSY-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN CONCC1(C)CCC1 307416242 346029434 /nfs/dbraw/zinc/02/94/34/346029434.db2.gz YIBCLXRTFKNWPU-UHFFFAOYSA-N 0 0 129.203 1.328 10 0 ADAERN Cc1ccc(N)cc1C(=O)N1CCC1 307416074 346029457 /nfs/dbraw/zinc/02/94/57/346029457.db2.gz LBYOKFMWRKVFLR-UHFFFAOYSA-N 0 0 190.246 1.423 10 0 ADAERN CCNC(=[NH2+])c1ccc([O-])cc1Cl 307415539 346029534 /nfs/dbraw/zinc/02/95/34/346029534.db2.gz KPYPRIIQZCFABL-UHFFFAOYSA-N 0 0 198.653 1.980 10 0 ADAERN O=c1cncc(NC2CC=CC2)[nH]1 307415718 346029743 /nfs/dbraw/zinc/02/97/43/346029743.db2.gz VGLGJEMPVUAJGD-UHFFFAOYSA-N 0 0 177.207 1.313 10 0 ADAERN CC(C)C[C@@H]1C[C@@H]1NC(N)=O 307416865 346029895 /nfs/dbraw/zinc/02/98/95/346029895.db2.gz ZRJJMETYJUKROJ-RQJHMYQMSA-N 0 0 156.229 1.089 10 0 ADAERN Cc1c(N)n[nH]c1C1(C)CC1 307416807 346029906 /nfs/dbraw/zinc/02/99/06/346029906.db2.gz ZPVJILPYZLSXIB-UHFFFAOYSA-N 0 0 151.213 1.352 10 0 ADAERN C[C@@H]1C[C@H]1[C@@](C)(N)C(F)(F)F 307416813 346029914 /nfs/dbraw/zinc/02/99/14/346029914.db2.gz ZQQWEQSJWXEKAJ-HSUXUTPPSA-N 0 0 167.174 1.922 10 0 ADAERN CNc1cncc(NCCF)c1 307416808 346029944 /nfs/dbraw/zinc/02/99/44/346029944.db2.gz ZPWPGUWZGFBTRY-UHFFFAOYSA-N 0 0 169.203 1.505 10 0 ADAERN C[C@@H]1C[C@@H]1[C@](C)(N)C(F)(F)F 307416816 346029983 /nfs/dbraw/zinc/02/99/83/346029983.db2.gz ZQQWEQSJWXEKAJ-SRQIZXRXSA-N 0 0 167.174 1.922 10 0 ADAERN CC[C@@H]1CCN1Cc1ncccn1 307417054 346030012 /nfs/dbraw/zinc/03/00/12/346030012.db2.gz GCLZKMUWRBPHAG-SECBINFHSA-N 0 0 177.251 1.461 10 0 ADAERN CC1(NC(=O)[C@@H]2CC2(C)C)CC1 307416685 346030049 /nfs/dbraw/zinc/03/00/49/346030049.db2.gz VUPTWOLDNUKPQN-ZETCQYMHSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1C[C@H]1[C@](C)(N)C(F)(F)F 307416815 346030071 /nfs/dbraw/zinc/03/00/71/346030071.db2.gz ZQQWEQSJWXEKAJ-PBXRRBTRSA-N 0 0 167.174 1.922 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@](C)(N)C(F)(F)F 307416814 346030118 /nfs/dbraw/zinc/03/01/18/346030118.db2.gz ZQQWEQSJWXEKAJ-NGJCXOISSA-N 0 0 167.174 1.922 10 0 ADAERN Nc1nnc(C2CC(F)(F)C2)s1 307417124 346030126 /nfs/dbraw/zinc/03/01/26/346030126.db2.gz GDYKSHHOIMSUPK-UHFFFAOYSA-N 0 0 191.206 1.633 10 0 ADAERN CC(C)C[C@H]1C[C@H]1NC(N)=O 307416823 346030156 /nfs/dbraw/zinc/03/01/56/346030156.db2.gz ZRJJMETYJUKROJ-NKWVEPMBSA-N 0 0 156.229 1.089 10 0 ADAERN CC[C@H]1CCN1Cc1ncccn1 307417067 346030158 /nfs/dbraw/zinc/03/01/58/346030158.db2.gz GCLZKMUWRBPHAG-VIFPVBQESA-N 0 0 177.251 1.461 10 0 ADAERN CC(C)C[C@H]1C[C@@H]1NC(N)=O 307416822 346030176 /nfs/dbraw/zinc/03/01/76/346030176.db2.gz ZRJJMETYJUKROJ-BQBZGAKWSA-N 0 0 156.229 1.089 10 0 ADAERN Cc1cc(N)nnc1[C@H]1C[C@@H]1C 307417476 346030432 /nfs/dbraw/zinc/03/04/32/346030432.db2.gz GABOJNKEXRZKQE-FSPLSTOPSA-N 0 0 163.224 1.491 10 0 ADAERN CC(C)[S@@](=O)Nc1ccc(N)nc1 307417696 346030439 /nfs/dbraw/zinc/03/04/39/346030439.db2.gz GHTBHNFINNSCGZ-CYBMUJFWSA-N 0 0 199.279 1.148 10 0 ADAERN CCC1(c2nc(N)no2)CC1 307418088 346030442 /nfs/dbraw/zinc/03/04/42/346030442.db2.gz GHAIGXIGFHBWLM-UHFFFAOYSA-N 0 0 153.185 1.093 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H]1C(C)(C)C 307417716 346030490 /nfs/dbraw/zinc/03/04/90/346030490.db2.gz GJCBTMQKEWWCJU-NKWVEPMBSA-N 0 0 155.241 1.557 10 0 ADAERN Cn1ccc(-c2cnc(Cl)cn2)n1 307417892 346030504 /nfs/dbraw/zinc/03/05/04/346030504.db2.gz OWESTMKPHLNEIY-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CC[C@H]1NC(=O)[C@H]1C(C)(C)C 307417740 346030506 /nfs/dbraw/zinc/03/05/06/346030506.db2.gz GJCBTMQKEWWCJU-RQJHMYQMSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1cc(N)nnc1[C@@H]1C[C@@H]1C 307417473 346030509 /nfs/dbraw/zinc/03/05/09/346030509.db2.gz GABOJNKEXRZKQE-CAHLUQPWSA-N 0 0 163.224 1.491 10 0 ADAERN CC1(C)CCC[C@H]1CNC#N 307417283 346030523 /nfs/dbraw/zinc/03/05/23/346030523.db2.gz FYERIWJNHIVPEO-QMMMGPOBSA-N 0 0 152.241 1.883 10 0 ADAERN COc1cc(F)c(F)nc1F 307418002 346030526 /nfs/dbraw/zinc/03/05/26/346030526.db2.gz KFCFKMFUEYLJKQ-UHFFFAOYSA-N 0 0 163.098 1.508 10 0 ADAERN CC[C@H]1NC(=O)[C@@H]1C(C)(C)C 307417726 346030543 /nfs/dbraw/zinc/03/05/43/346030543.db2.gz GJCBTMQKEWWCJU-RNFRBKRXSA-N 0 0 155.241 1.557 10 0 ADAERN O=c1cc(Cn2cccc2)cc[nH]1 307418090 346030551 /nfs/dbraw/zinc/03/05/51/346030551.db2.gz GHGNSBYSSFAVON-UHFFFAOYSA-N 0 0 174.203 1.637 10 0 ADAERN CC(C)[S@](=O)Nc1ccc(N)nc1 307417697 346030629 /nfs/dbraw/zinc/03/06/29/346030629.db2.gz GHTBHNFINNSCGZ-ZDUSSCGKSA-N 0 0 199.279 1.148 10 0 ADAERN Cc1cc(N)nnc1[C@@H]1C[C@H]1C 307417478 346030648 /nfs/dbraw/zinc/03/06/48/346030648.db2.gz GABOJNKEXRZKQE-IYSWYEEDSA-N 0 0 163.224 1.491 10 0 ADAERN CCc1c(N)nnn1CC1(C)CCC1 307417567 346030686 /nfs/dbraw/zinc/03/06/86/346030686.db2.gz WDWMMVZIDTYUOI-UHFFFAOYSA-N 0 0 194.282 1.613 10 0 ADAERN CC[C@@H]1NC(=O)[C@H]1C(C)(C)C 307417710 346030694 /nfs/dbraw/zinc/03/06/94/346030694.db2.gz GJCBTMQKEWWCJU-BQBZGAKWSA-N 0 0 155.241 1.557 10 0 ADAERN CC1(C)CCC[C@@H]1CNC#N 307417273 346030726 /nfs/dbraw/zinc/03/07/26/346030726.db2.gz FYERIWJNHIVPEO-MRVPVSSYSA-N 0 0 152.241 1.883 10 0 ADAERN Cc1cc(N)nnc1[C@H]1C[C@H]1C 307417481 346030756 /nfs/dbraw/zinc/03/07/56/346030756.db2.gz GABOJNKEXRZKQE-VDTYLAMSSA-N 0 0 163.224 1.491 10 0 ADAERN CCN(OC)c1c(C)cccc1N 307419569 346031020 /nfs/dbraw/zinc/03/10/20/346031020.db2.gz NCEXBHWOXBCGDX-UHFFFAOYSA-N 0 0 180.251 1.965 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCCO1 307419942 346031034 /nfs/dbraw/zinc/03/10/34/346031034.db2.gz MBTQECXKZNXMDX-HLTSFMKQSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1cnc(C(=O)N[C@H]2C[C@@H]2C)o1 307419887 346031036 /nfs/dbraw/zinc/03/10/36/346031036.db2.gz MAJBXXJSWZCQPP-FSPLSTOPSA-N 0 0 180.207 1.121 10 0 ADAERN CO[C@@H](C)C(=O)NC1CC(C)(C)C1 307419857 346031083 /nfs/dbraw/zinc/03/10/83/346031083.db2.gz IJVOUSNSXMODAM-ZETCQYMHSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1cnc(C(=O)N[C@@H]2C[C@@H]2C)o1 307419874 346031088 /nfs/dbraw/zinc/03/10/88/346031088.db2.gz MAJBXXJSWZCQPP-CAHLUQPWSA-N 0 0 180.207 1.121 10 0 ADAERN Cc1cnc(C(=O)N[C@H]2C[C@H]2C)o1 307419901 346031123 /nfs/dbraw/zinc/03/11/23/346031123.db2.gz MAJBXXJSWZCQPP-VDTYLAMSSA-N 0 0 180.207 1.121 10 0 ADAERN CO[C@H](C)C(=O)NC1CC(C)(C)C1 307419855 346031248 /nfs/dbraw/zinc/03/12/48/346031248.db2.gz IJVOUSNSXMODAM-SSDOTTSWSA-N 0 0 185.267 1.326 10 0 ADAERN C[C@@H]1C[C@@H]1[C@]1(C)CC(=O)NC1(C)C 307420473 346031460 /nfs/dbraw/zinc/03/14/60/346031460.db2.gz JARVWRAWBMTGEA-FYBVGQRMSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)[C@H](C)[C@H]1NC(=S)NC1=O 307420717 346031501 /nfs/dbraw/zinc/03/15/01/346031501.db2.gz ZMYBHFVLJFSICO-NTSWFWBYSA-N 0 0 186.280 1.063 10 0 ADAERN C[C@@H]1C[C@H]1[C@@]1(C)CC(=O)NC1(C)C 307420474 346031532 /nfs/dbraw/zinc/03/15/32/346031532.db2.gz JARVWRAWBMTGEA-SOCHQFKDSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCCO1 307420466 346031640 /nfs/dbraw/zinc/03/16/40/346031640.db2.gz MBTQECXKZNXMDX-HRDYMLBCSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1C[C@H]1[C@]1(C)CC(=O)NC1(C)C 307420476 346031675 /nfs/dbraw/zinc/03/16/75/346031675.db2.gz JARVWRAWBMTGEA-XLDPMVHQSA-N 0 0 181.279 1.947 10 0 ADAERN CC(C)[C@@H](C)[C@H]1NC(=S)NC1=O 307420722 346031691 /nfs/dbraw/zinc/03/16/91/346031691.db2.gz ZMYBHFVLJFSICO-PHDIDXHHSA-N 0 0 186.280 1.063 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@]1(C)CC(=O)NC1(C)C 307420475 346031702 /nfs/dbraw/zinc/03/17/02/346031702.db2.gz JARVWRAWBMTGEA-VHSKPIJISA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@H]1CCCCO1 307420472 346031708 /nfs/dbraw/zinc/03/17/08/346031708.db2.gz MBTQECXKZNXMDX-IWSPIJDZSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCCO1 307420479 346031724 /nfs/dbraw/zinc/03/17/24/346031724.db2.gz MBTQECXKZNXMDX-VGMNWLOBSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)[C@H](C)[C@@H]1NC(=S)NC1=O 307420733 346031747 /nfs/dbraw/zinc/03/17/47/346031747.db2.gz ZMYBHFVLJFSICO-WDSKDSINSA-N 0 0 186.280 1.063 10 0 ADAERN Cc1ccc(-c2cc(N)no2)nn1 307420240 346031752 /nfs/dbraw/zinc/03/17/52/346031752.db2.gz LMWHLVKCRMYLBH-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(C)[C@@H](C)[C@@H]1NC(=S)NC1=O 307420728 346031762 /nfs/dbraw/zinc/03/17/62/346031762.db2.gz ZMYBHFVLJFSICO-RITPCOANSA-N 0 0 186.280 1.063 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1c1ccoc1 307420830 346031938 /nfs/dbraw/zinc/03/19/38/346031938.db2.gz MGYORWVORNZYJJ-XPUUQOCRSA-N 0 0 165.192 1.129 10 0 ADAERN Cc1cnn(C)c1C(=O)CC1CC1 307421674 346032022 /nfs/dbraw/zinc/03/20/22/346032022.db2.gz MQZQOBMLYRHSAN-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1c1ccoc1 307420814 346032044 /nfs/dbraw/zinc/03/20/44/346032044.db2.gz MGYORWVORNZYJJ-POYBYMJQSA-N 0 0 165.192 1.129 10 0 ADAERN Cc1cc(-c2noc(CN)n2)cs1 307421043 346032151 /nfs/dbraw/zinc/03/21/51/346032151.db2.gz HRPNMAZLRAPZPT-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN C[C@H]1C(=O)NC[C@@H]1c1ccoc1 307420822 346032211 /nfs/dbraw/zinc/03/22/11/346032211.db2.gz MGYORWVORNZYJJ-SVRRBLITSA-N 0 0 165.192 1.129 10 0 ADAERN C[C@H]1C(=O)NC[C@H]1c1ccoc1 307420806 346032247 /nfs/dbraw/zinc/03/22/47/346032247.db2.gz MGYORWVORNZYJJ-HTRCEHHLSA-N 0 0 165.192 1.129 10 0 ADAERN CCONCC1(C)CCC1 307420803 346032268 /nfs/dbraw/zinc/03/22/68/346032268.db2.gz QYSFQNQTWQRWGQ-UHFFFAOYSA-N 0 0 143.230 1.718 10 0 ADAERN CC[C@@](O)(c1ccnn1C)C1CCC1 307422579 346032457 /nfs/dbraw/zinc/03/24/57/346032457.db2.gz ORYHQTXUZNNBRQ-NSHDSACASA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@](O)(c1ccnn1C)C1CCC1 307422575 346032462 /nfs/dbraw/zinc/03/24/62/346032462.db2.gz ORYHQTXUZNNBRQ-LLVKDONJSA-N 0 0 194.278 1.818 10 0 ADAERN NC(=O)Nc1csc(Cl)c1 307422047 346032514 /nfs/dbraw/zinc/03/25/14/346032514.db2.gz MVUNJIGNKCZNMU-UHFFFAOYSA-N 0 0 176.628 1.892 10 0 ADAERN CNC(=O)[C@]1(C)CC1(Cl)Cl 307422852 346032526 /nfs/dbraw/zinc/03/25/26/346032526.db2.gz NGPPRFFKVHCSMQ-YFKPBYRVSA-N 0 0 182.050 1.316 10 0 ADAERN O=C(c1ccco1)[C@@H]1[C@H]2COC[C@H]21 307422830 346032563 /nfs/dbraw/zinc/03/25/63/346032563.db2.gz IEGZNDUDWKAWDG-QMSLJYSESA-N 0 0 178.187 1.355 10 0 ADAERN CNC(=O)[C@@]1(C)CC1(Cl)Cl 307422849 346032634 /nfs/dbraw/zinc/03/26/34/346032634.db2.gz NGPPRFFKVHCSMQ-RXMQYKEDSA-N 0 0 182.050 1.316 10 0 ADAERN C/C=C/CNc1ncnc(N)c1Cl 307422800 346032653 /nfs/dbraw/zinc/03/26/53/346032653.db2.gz OVJMDBKLZBZLPZ-NSCUHMNNSA-N 0 0 198.657 1.700 10 0 ADAERN 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/nfs/dbraw/zinc/03/29/93/346032993.db2.gz PMKSYILXLJCANT-HSUXUTPPSA-N 0 0 198.295 1.577 10 0 ADAERN CC1(C[C@H](O)c2c[nH]nc2N)CCC1 307424184 346033120 /nfs/dbraw/zinc/03/31/20/346033120.db2.gz PQVOBHVOILADPI-QMMMGPOBSA-N 0 0 195.266 1.606 10 0 ADAERN O=C(N[C@@H]1[C@H]2CCC[C@H]21)C1CC1 307423684 346033127 /nfs/dbraw/zinc/03/31/27/346033127.db2.gz NVXBIMRMFFDTLB-BRPSZJMVSA-N 0 0 165.236 1.311 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1nc(N)ns1 307423522 346033178 /nfs/dbraw/zinc/03/31/78/346033178.db2.gz PMKSYILXLJCANT-NGJCXOISSA-N 0 0 198.295 1.577 10 0 ADAERN CC[C@H]1CCN1c1ccnc(C)n1 307423671 346033270 /nfs/dbraw/zinc/03/32/70/346033270.db2.gz NPIIIAOYGZAJKX-VIFPVBQESA-N 0 0 177.251 1.774 10 0 ADAERN Cc1ccc(N[S@](C)=O)cc1N 307423361 346033279 /nfs/dbraw/zinc/03/32/79/346033279.db2.gz ILSBQUIBWIXIQS-LBPRGKRZSA-N 0 0 184.264 1.283 10 0 ADAERN Cc1ccc(N[S@@](C)=O)cc1N 307423357 346033299 /nfs/dbraw/zinc/03/32/99/346033299.db2.gz ILSBQUIBWIXIQS-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN Cc1cc(F)c(C)c(C(N)=O)c1 307423903 346033362 /nfs/dbraw/zinc/03/33/62/346033362.db2.gz CSYDEJCPCCOOGU-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN CC1(C[C@@H](O)c2c[nH]nc2N)CCC1 307424183 346033376 /nfs/dbraw/zinc/03/33/76/346033376.db2.gz PQVOBHVOILADPI-MRVPVSSYSA-N 0 0 195.266 1.606 10 0 ADAERN CCCOC(=O)Nc1ccn(C)n1 307425105 346033625 /nfs/dbraw/zinc/03/36/25/346033625.db2.gz OIVUUKLEBONABW-UHFFFAOYSA-N 0 0 183.211 1.379 10 0 ADAERN C[C@H](CC(C)(C)C)NC=O 307424504 346033708 /nfs/dbraw/zinc/03/37/08/346033708.db2.gz ONPLVQNNTURRCJ-SSDOTTSWSA-N 0 0 143.230 1.557 10 0 ADAERN CC[C@@]1(C)CCCN(C(N)=O)CC1 307424647 346033713 /nfs/dbraw/zinc/03/37/13/346033713.db2.gz OCFFCUMQEZZHQV-JTQLQIEISA-N 0 0 184.283 1.967 10 0 ADAERN CC[C@]1(C)CCCN(C(N)=O)CC1 307424648 346033763 /nfs/dbraw/zinc/03/37/63/346033763.db2.gz OCFFCUMQEZZHQV-SNVBAGLBSA-N 0 0 184.283 1.967 10 0 ADAERN C[C@@H](CC(C)(C)C)NC=O 307424507 346033816 /nfs/dbraw/zinc/03/38/16/346033816.db2.gz ONPLVQNNTURRCJ-ZETCQYMHSA-N 0 0 143.230 1.557 10 0 ADAERN Cn1cc(C(=O)C2CCCC2)nn1 307425531 346033831 /nfs/dbraw/zinc/03/38/31/346033831.db2.gz OSAMTFHGPDRTIM-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN Cc1ncc([C@H]2NC(=O)C2(C)C)s1 307425506 346033872 /nfs/dbraw/zinc/03/38/72/346033872.db2.gz OPYSGINJBJSZOG-SSDOTTSWSA-N 0 0 196.275 1.649 10 0 ADAERN Cc1ncc([C@@H]2NC(=O)C2(C)C)s1 307425508 346033882 /nfs/dbraw/zinc/03/38/82/346033882.db2.gz OPYSGINJBJSZOG-ZETCQYMHSA-N 0 0 196.275 1.649 10 0 ADAERN O=C(Nc1cnoc1)c1cc[nH]c1 307426193 346034142 /nfs/dbraw/zinc/03/41/42/346034142.db2.gz PCZXFFNKNBPEAC-UHFFFAOYSA-N 0 0 177.163 1.255 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)C[C@H]2CCOC2)O1 307425727 346034168 /nfs/dbraw/zinc/03/41/68/346034168.db2.gz RCWNNGGFQTYIJB-KKZNHRDASA-N 0 0 198.262 1.550 10 0 ADAERN CC[S@@](=O)Nc1ccc(N)cc1C 307425992 346034194 /nfs/dbraw/zinc/03/41/94/346034194.db2.gz RGHBIYUWCVEDFE-CYBMUJFWSA-N 0 0 198.291 1.673 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)C[C@@H]2CCOC2)O1 307425729 346034286 /nfs/dbraw/zinc/03/42/86/346034286.db2.gz RCWNNGGFQTYIJB-YWVKMMECSA-N 0 0 198.262 1.550 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)C[C@@H]2CCOC2)O1 307425728 346034296 /nfs/dbraw/zinc/03/42/96/346034296.db2.gz RCWNNGGFQTYIJB-WCABBAIRSA-N 0 0 198.262 1.550 10 0 ADAERN CC[S@](=O)Nc1ccc(N)cc1C 307425994 346034305 /nfs/dbraw/zinc/03/43/05/346034305.db2.gz RGHBIYUWCVEDFE-ZDUSSCGKSA-N 0 0 198.291 1.673 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)C[C@H]2CCOC2)O1 307425725 346034337 /nfs/dbraw/zinc/03/43/37/346034337.db2.gz RCWNNGGFQTYIJB-FXPVBKGRSA-N 0 0 198.262 1.550 10 0 ADAERN CSC(C)(C)c1ncc(N)c(C)n1 307425993 346034390 /nfs/dbraw/zinc/03/43/90/346034390.db2.gz WZYACYXTHIGZOU-UHFFFAOYSA-N 0 0 197.307 1.965 10 0 ADAERN CC(C)[C@]1(C)CCC[C@H](CO)O1 307427146 346034605 /nfs/dbraw/zinc/03/46/05/346034605.db2.gz YPZOCAADLYAXEZ-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)[C@@]1(C)CCC[C@H](CO)O1 307427143 346034655 /nfs/dbraw/zinc/03/46/55/346034655.db2.gz YPZOCAADLYAXEZ-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)[C@@]1(C)CCC[C@@H](CO)O1 307427145 346034703 /nfs/dbraw/zinc/03/47/03/346034703.db2.gz YPZOCAADLYAXEZ-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN CC1(CSCCO)CCC1 307427139 346034735 /nfs/dbraw/zinc/03/47/35/346034735.db2.gz YPFSVEVBEDPWLV-UHFFFAOYSA-N 0 0 160.282 1.902 10 0 ADAERN CC(C)(C)C(C)(C)N1CC(=O)NC1=O 307427457 346034753 /nfs/dbraw/zinc/03/47/53/346034753.db2.gz GRKBGUYCSOGRKM-UHFFFAOYSA-N 0 0 198.266 1.363 10 0 ADAERN C[S@](=O)Nc1ccc(N)cc1F 307427726 346034773 /nfs/dbraw/zinc/03/47/73/346034773.db2.gz RVVNOWRNERJLRP-LBPRGKRZSA-N 0 0 188.227 1.113 10 0 ADAERN CC(C)[C@]1(C)CCC[C@@H](CO)O1 307427144 346034806 /nfs/dbraw/zinc/03/48/06/346034806.db2.gz YPZOCAADLYAXEZ-UWVGGRQHSA-N 0 0 172.268 1.963 10 0 ADAERN CSc1ncc(F)cc1N 307427383 346034811 /nfs/dbraw/zinc/03/48/11/346034811.db2.gz SHZWWWAQILAIHR-UHFFFAOYSA-N 0 0 158.201 1.525 10 0 ADAERN C[S@@](=O)Nc1ccc(N)cc1F 307427719 346034841 /nfs/dbraw/zinc/03/48/41/346034841.db2.gz RVVNOWRNERJLRP-GFCCVEGCSA-N 0 0 188.227 1.113 10 0 ADAERN Cc1cc(C(N)=O)cc(F)c1C 307429029 346035087 /nfs/dbraw/zinc/03/50/87/346035087.db2.gz SYABVQXZHKIXTA-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN C[C@@H]1CC[C@@H](n2cnc(N)n2)C1 307429101 346035115 /nfs/dbraw/zinc/03/51/15/346035115.db2.gz UOVFQHCDOOLFJV-RNFRBKRXSA-N 0 0 166.228 1.221 10 0 ADAERN C[C@H]1CC[C@@H](n2cnc(N)n2)C1 307429100 346035143 /nfs/dbraw/zinc/03/51/43/346035143.db2.gz UOVFQHCDOOLFJV-NKWVEPMBSA-N 0 0 166.228 1.221 10 0 ADAERN C[C@H]1CC[C@H](n2cnc(N)n2)C1 307429099 346035261 /nfs/dbraw/zinc/03/52/61/346035261.db2.gz UOVFQHCDOOLFJV-BQBZGAKWSA-N 0 0 166.228 1.221 10 0 ADAERN C[C@@H]1CC[C@H](n2cnc(N)n2)C1 307429102 346035295 /nfs/dbraw/zinc/03/52/95/346035295.db2.gz UOVFQHCDOOLFJV-RQJHMYQMSA-N 0 0 166.228 1.221 10 0 ADAERN Cc1cc(-c2ncnc(N)n2)cs1 307428153 346035347 /nfs/dbraw/zinc/03/53/47/346035347.db2.gz SAUXIGLHPFBPHJ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@H](CO)Nc1ccc(F)cc1F 307430130 346035622 /nfs/dbraw/zinc/03/56/22/346035622.db2.gz 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/nfs/dbraw/zinc/03/58/76/346035876.db2.gz VKASDMLMKPYHIO-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN CNc1nc([C@@H]2CCOC2)c(C)s1 307429261 346035912 /nfs/dbraw/zinc/03/59/12/346035912.db2.gz IMZTYJNVNMDOQH-SSDOTTSWSA-N 0 0 198.291 1.997 10 0 ADAERN FCCCNc1ccn2nccc2n1 307429433 346035916 /nfs/dbraw/zinc/03/59/16/346035916.db2.gz UMYQJYHDCQTKJX-UHFFFAOYSA-N 0 0 194.213 1.501 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ccc(=O)[nH]c1 307431248 346036171 /nfs/dbraw/zinc/03/61/71/346036171.db2.gz WPCWBQLRZXTQQQ-VXNVDRBHSA-N 0 0 178.235 1.998 10 0 ADAERN C/C=C/CNC(=O)/C=C/C 307431368 346036193 /nfs/dbraw/zinc/03/61/93/346036193.db2.gz WSUKNBDMUJBCBB-GGWOSOGESA-N 0 0 139.198 1.255 10 0 ADAERN O=Cc1cnc2cc[nH]c2c1 307431356 346036195 /nfs/dbraw/zinc/03/61/95/346036195.db2.gz XPKZYNFWASCCTQ-UHFFFAOYSA-N 0 0 146.149 1.327 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ccc(=O)[nH]c1 307431246 346036205 /nfs/dbraw/zinc/03/62/05/346036205.db2.gz WPCWBQLRZXTQQQ-CBAPKCEASA-N 0 0 178.235 1.998 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ccc(=O)[nH]c1 307431245 346036217 /nfs/dbraw/zinc/03/62/17/346036217.db2.gz WPCWBQLRZXTQQQ-APPZFPTMSA-N 0 0 178.235 1.998 10 0 ADAERN CC(C)[C@@H](C)[C@H]1CC(=O)N1 307431608 346036234 /nfs/dbraw/zinc/03/62/34/346036234.db2.gz XXBZKSRVJMCUCB-RNFRBKRXSA-N 0 0 141.214 1.167 10 0 ADAERN Cc1cc(C(N)=O)cc(F)c1Cl 307431467 346036257 /nfs/dbraw/zinc/03/62/57/346036257.db2.gz LHOMYLMXRQZJLE-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN FC(F)Oc1ccc(=S)[nH]n1 307431034 346036274 /nfs/dbraw/zinc/03/62/74/346036274.db2.gz WYEHFVWACLNJIH-UHFFFAOYSA-N 0 0 178.163 1.367 10 0 ADAERN CC(C)[C@H](C)[C@H]1CC(=O)N1 307431607 346036325 /nfs/dbraw/zinc/03/63/25/346036325.db2.gz XXBZKSRVJMCUCB-NKWVEPMBSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ccc(=O)[nH]c1 307431247 346036351 /nfs/dbraw/zinc/03/63/51/346036351.db2.gz WPCWBQLRZXTQQQ-IONNQARKSA-N 0 0 178.235 1.998 10 0 ADAERN CC(C)[C@H](C)[C@@H]1CC(=O)N1 307431606 346036357 /nfs/dbraw/zinc/03/63/57/346036357.db2.gz XXBZKSRVJMCUCB-BQBZGAKWSA-N 0 0 141.214 1.167 10 0 ADAERN COc1c(F)ncc(F)c1F 307430961 346036406 /nfs/dbraw/zinc/03/64/06/346036406.db2.gz WFFSDOZNWWXZRB-UHFFFAOYSA-N 0 0 163.098 1.508 10 0 ADAERN CC[C@@H](OC)c1ncsc1N 307431920 346036851 /nfs/dbraw/zinc/03/68/51/346036851.db2.gz YJSCZBKYGFRXPO-RXMQYKEDSA-N 0 0 172.253 1.823 10 0 ADAERN CC[C@H](OC)c1ncsc1N 307431921 346036854 /nfs/dbraw/zinc/03/68/54/346036854.db2.gz YJSCZBKYGFRXPO-YFKPBYRVSA-N 0 0 172.253 1.823 10 0 ADAERN Cc1coc(N[C@H]2CC[C@@H](O)C2)n1 307433216 346037464 /nfs/dbraw/zinc/03/74/64/346037464.db2.gz JYUXPBWVIAHKRQ-JGVFFNPUSA-N 0 0 182.223 1.308 10 0 ADAERN O=C1Nc2ccccc2CC[C@@H]1F 307433251 346037538 /nfs/dbraw/zinc/03/75/38/346037538.db2.gz KEKWTHWLKLVILP-QMMMGPOBSA-N 0 0 179.194 1.909 10 0 ADAERN O=C1Nc2ccccc2CC[C@H]1F 307433250 346037610 /nfs/dbraw/zinc/03/76/10/346037610.db2.gz KEKWTHWLKLVILP-MRVPVSSYSA-N 0 0 179.194 1.909 10 0 ADAERN COC(=O)Nc1ncc(C)cc1N 307434690 346038531 /nfs/dbraw/zinc/03/85/31/346038531.db2.gz 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/nfs/dbraw/zinc/03/90/39/346039039.db2.gz OPUGPOJOXCJLKN-ZJUUUORDSA-N 0 0 179.263 1.701 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1CC2CCC1CC2 307436728 346039083 /nfs/dbraw/zinc/03/90/83/346039083.db2.gz LKKQWTUFZFPTBZ-AATRIKPKSA-N 0 0 181.235 1.459 10 0 ADAERN O=C(Cc1cnsn1)C1CC1 307436299 346039101 /nfs/dbraw/zinc/03/91/01/346039101.db2.gz SWHZXPRRYCMWTN-UHFFFAOYSA-N 0 0 168.221 1.060 10 0 ADAERN CC[C@@](C)(Nc1nccs1)C(N)=O 307436545 346039131 /nfs/dbraw/zinc/03/91/31/346039131.db2.gz PLCPULIRPDLIRO-MRVPVSSYSA-N 0 0 199.279 1.209 10 0 ADAERN CNC(=O)/C=C/C1CCC1 307436769 346039168 /nfs/dbraw/zinc/03/91/68/346039168.db2.gz LOLIIZZTYQCNRW-AATRIKPKSA-N 0 0 139.198 1.089 10 0 ADAERN CCCn1c(N)nc2ccncc21 307436835 346039187 /nfs/dbraw/zinc/03/91/87/346039187.db2.gz UFUVKWLJYUTJJW-UHFFFAOYSA-N 0 0 176.223 1.424 10 0 ADAERN O=C1N[C@H](C2CCC2)[C@@H]1C1CCC1 307435944 346039197 /nfs/dbraw/zinc/03/91/97/346039197.db2.gz OPUGPOJOXCJLKN-VHSXEESVSA-N 0 0 179.263 1.701 10 0 ADAERN Cc1sccc1[C@H](N)c1ncon1 307437672 346039557 /nfs/dbraw/zinc/03/95/57/346039557.db2.gz MBADMICVIRYBRM-ZETCQYMHSA-N 0 0 195.247 1.488 10 0 ADAERN O=C(C1CCCC1)[C@@H]1[C@H]2COC[C@H]21 307437171 346039564 /nfs/dbraw/zinc/03/95/64/346039564.db2.gz LTYAPLWROPQCMX-MYJAWHEDSA-N 0 0 180.247 1.638 10 0 ADAERN Cc1sccc1[C@@H](N)c1ncon1 307437670 346039585 /nfs/dbraw/zinc/03/95/85/346039585.db2.gz MBADMICVIRYBRM-SSDOTTSWSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1c[nH]c(=S)n1CCF 307437708 346039616 /nfs/dbraw/zinc/03/96/16/346039616.db2.gz QRDWNBVBOFYGKC-UHFFFAOYSA-N 0 0 160.217 1.450 10 0 ADAERN C[C@H]1NC(=O)CC12CC(C)(C)C2 307438222 346039998 /nfs/dbraw/zinc/03/99/98/346039998.db2.gz ROARFKJMXPBHKB-SSDOTTSWSA-N 0 0 167.252 1.701 10 0 ADAERN Cn1cnc(C(=O)c2cscn2)c1 307438121 346040017 /nfs/dbraw/zinc/04/00/17/346040017.db2.gz VMPHUFHWGGZHQY-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN Cc1ncccc1-n1nc(N)cc1C 307438623 346040051 /nfs/dbraw/zinc/04/00/51/346040051.db2.gz VUZKTMNSSBKYIG-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN 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ADAERN CNC(=O)/C=C/c1ccc(C)cn1 307459216 346053417 /nfs/dbraw/zinc/05/34/17/346053417.db2.gz DQZXYJZRPJPJDR-AATRIKPKSA-N 0 0 176.219 1.149 10 0 ADAERN S=c1ncc2sccc2[nH]1 307458727 346053483 /nfs/dbraw/zinc/05/34/83/346053483.db2.gz DTUNAUYGSZGOFG-UHFFFAOYSA-N 0 0 168.246 1.980 10 0 ADAERN C[C@H]1CC[C@@]1(O)C(F)F 307459580 346053703 /nfs/dbraw/zinc/05/37/03/346053703.db2.gz AUJCJEPPHNXXLQ-NJGYIYPDSA-N 0 0 136.141 1.413 10 0 ADAERN CNC(=O)N1CCC[C@@H]1C1CC1 307459655 346053733 /nfs/dbraw/zinc/05/37/33/346053733.db2.gz AVJUXMAYOLBYKE-MRVPVSSYSA-N 0 0 168.240 1.200 10 0 ADAERN C[C@@H]1CC[C@@]1(O)C(F)F 307459588 346053789 /nfs/dbraw/zinc/05/37/89/346053789.db2.gz AUJCJEPPHNXXLQ-XINAWCOVSA-N 0 0 136.141 1.413 10 0 ADAERN Cc1cc(Sc2nc[nH]n2)ncn1 307459597 346053792 /nfs/dbraw/zinc/05/37/92/346053792.db2.gz AOEJUHMVNZXXAM-UHFFFAOYSA-N 0 0 193.235 1.054 10 0 ADAERN CCc1noc(C[C@@H]2CCCO2)n1 307459438 346053858 /nfs/dbraw/zinc/05/38/58/346053858.db2.gz AKNKYTWAUBXQEJ-ZETCQYMHSA-N 0 0 182.223 1.354 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166.228 1.150 10 0 ADAERN Clc1nccc(N2C[C@H]3C[C@H]3C2)n1 307459727 346053968 /nfs/dbraw/zinc/05/39/68/346053968.db2.gz APOPKCAILRFCOT-KNVOCYPGSA-N 0 0 195.653 1.586 10 0 ADAERN C[C@H]1CC[C@H](c2nc(N)cs2)O1 307461423 346054182 /nfs/dbraw/zinc/05/41/82/346054182.db2.gz HVTIIBWVBWMDOP-NTSWFWBYSA-N 0 0 184.264 1.965 10 0 ADAERN CCCC(=O)Nc1cc(CC)on1 307461203 346054224 /nfs/dbraw/zinc/05/42/24/346054224.db2.gz FKADDVIWBQXHPN-UHFFFAOYSA-N 0 0 182.223 1.976 10 0 ADAERN Cc1noc(N[C@@H]2CS[C@H](C)C2)n1 307461067 346054241 /nfs/dbraw/zinc/05/42/41/346054241.db2.gz FRGSAHZQYGVXKE-VDTYLAMSSA-N 0 0 199.279 1.684 10 0 ADAERN Cc1cc(C(=O)C=O)cs1 307460633 346054251 /nfs/dbraw/zinc/05/42/51/346054251.db2.gz FSJMQNHABRUWAO-UHFFFAOYSA-N 0 0 154.190 1.438 10 0 ADAERN Cc1noc(N[C@@H]2CS[C@@H](C)C2)n1 307461065 346054256 /nfs/dbraw/zinc/05/42/56/346054256.db2.gz FRGSAHZQYGVXKE-FSPLSTOPSA-N 0 0 199.279 1.684 10 0 ADAERN CC1(C)C[C@@H](Nc2cnns2)CO1 307461133 346054259 /nfs/dbraw/zinc/05/42/59/346054259.db2.gz FVYBCADFIFBQGI-ZCFIWIBFSA-N 0 0 199.279 1.518 10 0 ADAERN Clc1cccc(CN2CCC2)n1 307461549 346054269 /nfs/dbraw/zinc/05/42/69/346054269.db2.gz JCVHQIAFSDLKDC-UHFFFAOYSA-N 0 0 182.654 1.941 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)CO2)cs1 307460781 346054315 /nfs/dbraw/zinc/05/43/15/346054315.db2.gz DDXVCZIAYIBGMT-QMMMGPOBSA-N 0 0 197.259 1.244 10 0 ADAERN CC[C@@H](c1ccc[nH]1)N1CCOCC1 307461540 346054317 /nfs/dbraw/zinc/05/43/17/346054317.db2.gz JBQHXQAZAVKCSC-NSHDSACASA-N 0 0 194.278 1.798 10 0 ADAERN C[C@@H]1CC[C@H](c2nc(N)cs2)O1 307461426 346054331 /nfs/dbraw/zinc/05/43/31/346054331.db2.gz HVTIIBWVBWMDOP-PHDIDXHHSA-N 0 0 184.264 1.965 10 0 ADAERN Cc1noc(N[C@H]2CS[C@H](C)C2)n1 307461066 346054354 /nfs/dbraw/zinc/05/43/54/346054354.db2.gz FRGSAHZQYGVXKE-IYSWYEEDSA-N 0 0 199.279 1.684 10 0 ADAERN CNC(=O)[C@H](C)Nc1cscc1C 307460743 346054358 /nfs/dbraw/zinc/05/43/58/346054358.db2.gz DADPHFMPFZVCOQ-ZETCQYMHSA-N 0 0 198.291 1.603 10 0 ADAERN CNC(=O)[C@@H](C)Nc1cscc1C 307460742 346054360 /nfs/dbraw/zinc/05/43/60/346054360.db2.gz DADPHFMPFZVCOQ-SSDOTTSWSA-N 0 0 198.291 1.603 10 0 ADAERN Cc1cc([C@H]2CNC(=O)CO2)cs1 307460780 346054377 /nfs/dbraw/zinc/05/43/77/346054377.db2.gz DDXVCZIAYIBGMT-MRVPVSSYSA-N 0 0 197.259 1.244 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc(N)cs2)O1 307461428 346054416 /nfs/dbraw/zinc/05/44/16/346054416.db2.gz HVTIIBWVBWMDOP-RITPCOANSA-N 0 0 184.264 1.965 10 0 ADAERN CC1(C)C[C@H](Nc2cnns2)CO1 307461131 346054458 /nfs/dbraw/zinc/05/44/58/346054458.db2.gz FVYBCADFIFBQGI-LURJTMIESA-N 0 0 199.279 1.518 10 0 ADAERN C[C@H]1CC[C@@H](c2nc(N)cs2)O1 307461431 346054486 /nfs/dbraw/zinc/05/44/86/346054486.db2.gz HVTIIBWVBWMDOP-WDSKDSINSA-N 0 0 184.264 1.965 10 0 ADAERN Cc1noc(N[C@H]2CS[C@@H](C)C2)n1 307461064 346054494 /nfs/dbraw/zinc/05/44/94/346054494.db2.gz FRGSAHZQYGVXKE-CAHLUQPWSA-N 0 0 199.279 1.684 10 0 ADAERN C[C@H]1[C@H](C)C[C@]1(C(=O)[O-])[NH+](C)C 307462170 346054874 /nfs/dbraw/zinc/05/48/74/346054874.db2.gz FWBOPLLYZQYYEC-FJXKBIBVSA-N 0 0 171.240 1.047 10 0 ADAERN CC1(C)COC[C@@]1(N)C(F)(F)F 307461769 346054880 /nfs/dbraw/zinc/05/48/80/346054880.db2.gz DQZBTRLUMNXWRF-LURJTMIESA-N 0 0 183.173 1.303 10 0 ADAERN CNC(=O)[C@H](C)c1ncccc1F 307462069 346054898 /nfs/dbraw/zinc/05/48/98/346054898.db2.gz FTVMVGQVGLKOHK-ZCFIWIBFSA-N 0 0 182.198 1.070 10 0 ADAERN CC1(C)COC[C@]1(N)C(F)(F)F 307461773 346054907 /nfs/dbraw/zinc/05/49/07/346054907.db2.gz DQZBTRLUMNXWRF-ZCFIWIBFSA-N 0 0 183.173 1.303 10 0 ADAERN CCNc1ccc2oc(C)nc2n1 307462413 346054927 /nfs/dbraw/zinc/05/49/27/346054927.db2.gz IBQNVCMARKJCFD-UHFFFAOYSA-N 0 0 177.207 1.963 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)NC1CC1 307461659 346054930 /nfs/dbraw/zinc/05/49/30/346054930.db2.gz FXYVAACAVBTOPB-XPUUQOCRSA-N 0 0 168.240 1.247 10 0 ADAERN CNC(=O)[C@@H](C)c1ncccc1F 307462066 346054934 /nfs/dbraw/zinc/05/49/34/346054934.db2.gz FTVMVGQVGLKOHK-LURJTMIESA-N 0 0 182.198 1.070 10 0 ADAERN CCc1cnc([C@H]2CC(=O)N2)s1 307462150 346054953 /nfs/dbraw/zinc/05/49/53/346054953.db2.gz GEMYWKMEOSQYOL-ZCFIWIBFSA-N 0 0 182.248 1.267 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)NC1CC1 307461656 346055018 /nfs/dbraw/zinc/05/50/18/346055018.db2.gz FXYVAACAVBTOPB-POYBYMJQSA-N 0 0 168.240 1.247 10 0 ADAERN Cc1cc(C)cc([C@H]2NCC(=O)N2)c1 307461927 346055040 /nfs/dbraw/zinc/05/50/40/346055040.db2.gz FUTMYMCGASCMJF-NSHDSACASA-N 0 0 190.246 1.021 10 0 ADAERN C[C@@H]1C[C@@](C(=O)[O-])([NH+](C)C)[C@@H]1C 307462174 346055053 /nfs/dbraw/zinc/05/50/53/346055053.db2.gz FWBOPLLYZQYYEC-ZXFLCMHBSA-N 0 0 171.240 1.047 10 0 ADAERN C[C@@H]1C[C@](C(=O)[O-])([NH+](C)C)[C@@H]1C 307462163 346055061 /nfs/dbraw/zinc/05/50/61/346055061.db2.gz FWBOPLLYZQYYEC-BHNWBGBOSA-N 0 0 171.240 1.047 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]1(C(=O)[O-])[NH+](C)C 307462167 346055071 /nfs/dbraw/zinc/05/50/71/346055071.db2.gz FWBOPLLYZQYYEC-BKPPORCPSA-N 0 0 171.240 1.047 10 0 ADAERN Cc1cc(C)cc([C@@H]2NCC(=O)N2)c1 307461926 346055098 /nfs/dbraw/zinc/05/50/98/346055098.db2.gz FUTMYMCGASCMJF-LLVKDONJSA-N 0 0 190.246 1.021 10 0 ADAERN CCc1cnc([C@@H]2CC(=O)N2)s1 307462143 346055111 /nfs/dbraw/zinc/05/51/11/346055111.db2.gz GEMYWKMEOSQYOL-LURJTMIESA-N 0 0 182.248 1.267 10 0 ADAERN Cc1ncc([C@@](C)(O)CC2CC2)n1C 307462104 346055117 /nfs/dbraw/zinc/05/51/17/346055117.db2.gz GDSPJDXVBFPBPW-NSHDSACASA-N 0 0 194.278 1.736 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1nnc(C)o1 307462769 346055415 /nfs/dbraw/zinc/05/54/15/346055415.db2.gz GILSHEPWILJBNU-RNFRBKRXSA-N 0 0 167.212 1.588 10 0 ADAERN Nc1ccc(-c2ccsn2)nc1 307463045 346055438 /nfs/dbraw/zinc/05/54/38/346055438.db2.gz GLOGZBLFUXKLTC-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN CC[C@H]1C[C@H]1Nc1nnc(C)o1 307462768 346055635 /nfs/dbraw/zinc/05/56/35/346055635.db2.gz GILSHEPWILJBNU-NKWVEPMBSA-N 0 0 167.212 1.588 10 0 ADAERN Clc1nccc([C@H]2CCCO2)n1 307462886 346055551 /nfs/dbraw/zinc/05/55/51/346055551.db2.gz BZHITCWBYOPQFA-SSDOTTSWSA-N 0 0 184.626 1.982 10 0 ADAERN CCN(C)C(=O)C1([NH3+])CCC(C)CC1 307463145 346055584 /nfs/dbraw/zinc/05/55/84/346055584.db2.gz GSMKZPXOWJRARY-UHFFFAOYSA-N 0 0 198.310 1.372 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1nnc(C)o1 307462770 346055600 /nfs/dbraw/zinc/05/56/00/346055600.db2.gz GILSHEPWILJBNU-RQJHMYQMSA-N 0 0 167.212 1.588 10 0 ADAERN OCCNc1nccc2ccsc12 307462728 346055609 /nfs/dbraw/zinc/05/56/09/346055609.db2.gz FBVPEVPKWZPADI-UHFFFAOYSA-N 0 0 194.259 1.701 10 0 ADAERN Clc1nccc([C@@H]2CCCO2)n1 307462887 346055614 /nfs/dbraw/zinc/05/56/14/346055614.db2.gz BZHITCWBYOPQFA-ZETCQYMHSA-N 0 0 184.626 1.982 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1nnc(C)o1 307462767 346055631 /nfs/dbraw/zinc/05/56/31/346055631.db2.gz GILSHEPWILJBNU-BQBZGAKWSA-N 0 0 167.212 1.588 10 0 ADAERN Cc1[nH]c(C(=O)N2CC2)c(C)c1C 307463043 346055657 /nfs/dbraw/zinc/05/56/57/346055657.db2.gz GLHRVFUVNXPCEV-UHFFFAOYSA-N 0 0 178.235 1.396 10 0 ADAERN CC1(c2ncn(N)c2N)CCCC1 307462730 346055667 /nfs/dbraw/zinc/05/56/67/346055667.db2.gz FCCMWBDMDXOPTD-UHFFFAOYSA-N 0 0 180.255 1.011 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@@H]1C 307463986 346055953 /nfs/dbraw/zinc/05/59/53/346055953.db2.gz GWPYVCYRZFAXDD-YUMQZZPRSA-N 0 0 155.241 1.653 10 0 ADAERN CC[C@@H](C)C(=O)N1CC[C@H]1C 307463969 346055956 /nfs/dbraw/zinc/05/59/56/346055956.db2.gz GWPYVCYRZFAXDD-HTQZYQBOSA-N 0 0 155.241 1.653 10 0 ADAERN CC1(C)[C@@H](O)CCN1c1ccccn1 307464009 346056003 /nfs/dbraw/zinc/05/60/03/346056003.db2.gz FYNAADFFPIEETR-VIFPVBQESA-N 0 0 192.262 1.431 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@H]1C 307463975 346056036 /nfs/dbraw/zinc/05/60/36/346056036.db2.gz GWPYVCYRZFAXDD-JGVFFNPUSA-N 0 0 155.241 1.653 10 0 ADAERN CC[C@@H](C)C(=O)N1CC[C@@H]1C 307463980 346056049 /nfs/dbraw/zinc/05/60/49/346056049.db2.gz GWPYVCYRZFAXDD-SFYZADRCSA-N 0 0 155.241 1.653 10 0 ADAERN Cc1noc(C)c1-c1cn[nH]c1 307463756 346056158 /nfs/dbraw/zinc/05/61/58/346056158.db2.gz GRFFBNUIKDVMRE-UHFFFAOYSA-N 0 0 163.180 1.682 10 0 ADAERN CC(C)=C(C)c1nc(CN)no1 307463774 346056187 /nfs/dbraw/zinc/05/61/87/346056187.db2.gz GSBNMSPIJVYEMY-UHFFFAOYSA-N 0 0 167.212 1.342 10 0 ADAERN CC1(C)[C@H](O)CCN1c1ccccn1 307464008 346056215 /nfs/dbraw/zinc/05/62/15/346056215.db2.gz 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346061649 /nfs/dbraw/zinc/06/16/49/346061649.db2.gz HBISXPBSKLOUCV-UHFFFAOYSA-N 0 0 163.148 1.591 10 0 ADAERN Cc1nc(C[C@H]2CO2)cs1 307473242 346061680 /nfs/dbraw/zinc/06/16/80/346061680.db2.gz HDGJDQFXWNDWEB-ZETCQYMHSA-N 0 0 155.222 1.393 10 0 ADAERN COc1cc(N[C@H]2CC[C@@H]2C)ncn1 307472835 346061686 /nfs/dbraw/zinc/06/16/86/346061686.db2.gz GKUFYUKWXKKASJ-YUMQZZPRSA-N 0 0 193.250 1.696 10 0 ADAERN Cn1ncc(CC2(O)CCCCC2)n1 307473139 346061800 /nfs/dbraw/zinc/06/18/00/346061800.db2.gz UYZCLEKXLLUHRT-UHFFFAOYSA-N 0 0 195.266 1.053 10 0 ADAERN Cc1cc(N)cc(N2CC=CC2)c1 307473044 346061819 /nfs/dbraw/zinc/06/18/19/346061819.db2.gz GRNVDPYVDURXDV-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN CC1(C)C[C@](N)(C(F)(F)F)CO1 307474298 346062120 /nfs/dbraw/zinc/06/21/20/346062120.db2.gz WTNUDJKHMMFFSU-ZCFIWIBFSA-N 0 0 183.173 1.445 10 0 ADAERN CC1(C)C[C@@](N)(C(F)(F)F)CO1 307474297 346062246 /nfs/dbraw/zinc/06/22/46/346062246.db2.gz WTNUDJKHMMFFSU-LURJTMIESA-N 0 0 183.173 1.445 10 0 ADAERN 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BIJNCJSCKLDGFT-AUXWQGHOSA-N 0 0 168.284 1.665 10 0 ADAERN CC[C@H](C)C1(C(=O)[O-])CC[NH2+]CC1 307475138 346063055 /nfs/dbraw/zinc/06/30/55/346063055.db2.gz SYKSTMWDUHCBGF-QMMMGPOBSA-N 0 0 185.267 1.487 10 0 ADAERN C[C@@H](NN)[C@H]1CC2CCC1CC2 307475579 346063112 /nfs/dbraw/zinc/06/31/12/346063112.db2.gz BIJNCJSCKLDGFT-SEZDTBSWSA-N 0 0 168.284 1.665 10 0 ADAERN C[C@]1(O)CCC[C@H]1[C@H]1CCCNC1=O 307475677 346063158 /nfs/dbraw/zinc/06/31/58/346063158.db2.gz KSMHMUNUODVTAL-YWVKMMECSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@]1(O)CCC[C@H]1[C@@H]1CCCNC1=O 307475666 346063172 /nfs/dbraw/zinc/06/31/72/346063172.db2.gz KSMHMUNUODVTAL-QXEWZRGKSA-N 0 0 197.278 1.064 10 0 ADAERN Cc1nc(-c2ccncc2C)n[nH]1 307475184 346063180 /nfs/dbraw/zinc/06/31/80/346063180.db2.gz TWFYUEHYQNRZQB-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN C[C@@H](NN)[C@@H]1CC2CCC1CC2 307475580 346063187 /nfs/dbraw/zinc/06/31/87/346063187.db2.gz BIJNCJSCKLDGFT-WOOKNIGNSA-N 0 0 168.284 1.665 10 0 ADAERN C[C@]1(O)CCC[C@@H]1[C@@H]1CCCNC1=O 307475655 346063214 /nfs/dbraw/zinc/06/32/14/346063214.db2.gz KSMHMUNUODVTAL-NGZCFLSTSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@]1(O)CCC[C@@H]1[C@H]1CCCNC1=O 307475644 346063233 /nfs/dbraw/zinc/06/32/33/346063233.db2.gz KSMHMUNUODVTAL-KKZNHRDASA-N 0 0 197.278 1.064 10 0 ADAERN Clc1csc(N2CCCN2)n1 307475738 346063308 /nfs/dbraw/zinc/06/33/08/346063308.db2.gz UGGXUZGVXMQQOG-UHFFFAOYSA-N 0 0 189.671 1.511 10 0 ADAERN C[C@H](NN)[C@@H]1CC2CCC1CC2 307475578 346063356 /nfs/dbraw/zinc/06/33/56/346063356.db2.gz BIJNCJSCKLDGFT-NFTFJBJSSA-N 0 0 168.284 1.665 10 0 ADAERN C[C@H]1CNc2cncc(Cl)c2N1 307476437 346063689 /nfs/dbraw/zinc/06/36/89/346063689.db2.gz CFOSSRDWUDDNIE-YFKPBYRVSA-N 0 0 183.642 1.961 10 0 ADAERN CC(C)(C)OCn1cnccc1=O 307476527 346063696 /nfs/dbraw/zinc/06/36/96/346063696.db2.gz ZVOVNWDRGRNHGF-UHFFFAOYSA-N 0 0 182.223 1.016 10 0 ADAERN C[C@@H]1CNc2cncc(Cl)c2N1 307476436 346063767 /nfs/dbraw/zinc/06/37/67/346063767.db2.gz CFOSSRDWUDDNIE-RXMQYKEDSA-N 0 0 183.642 1.961 10 0 ADAERN Cc1noc([C@@H](N)C2CCC2)n1 307476318 346063776 /nfs/dbraw/zinc/06/37/76/346063776.db2.gz ZIVJOWMNLKXOFY-ZETCQYMHSA-N 0 0 167.212 1.178 10 0 ADAERN Cc1noc([C@H](N)C2CCC2)n1 307476316 346063786 /nfs/dbraw/zinc/06/37/86/346063786.db2.gz ZIVJOWMNLKXOFY-SSDOTTSWSA-N 0 0 167.212 1.178 10 0 ADAERN Cc1c(C(=O)NC2CC2)ccn1C 307476033 346063792 /nfs/dbraw/zinc/06/37/92/346063792.db2.gz BYYILAKMXPVCAM-UHFFFAOYSA-N 0 0 178.235 1.226 10 0 ADAERN Cc1oc(=S)[nH]c1[C@@H]1CCOC1 307476075 346063826 /nfs/dbraw/zinc/06/38/26/346063826.db2.gz KWTIRAZWUUHMMZ-ZCFIWIBFSA-N 0 0 185.248 1.776 10 0 ADAERN Cc1oc(=S)[nH]c1[C@H]1CCOC1 307476066 346063833 /nfs/dbraw/zinc/06/38/33/346063833.db2.gz KWTIRAZWUUHMMZ-LURJTMIESA-N 0 0 185.248 1.776 10 0 ADAERN CC[C@@H](C)c1nc(C)c(OC)c(N)n1 307477550 346064038 /nfs/dbraw/zinc/06/40/38/346064038.db2.gz MGCLOKGGCJQYRI-ZCFIWIBFSA-N 0 0 195.266 1.889 10 0 ADAERN C[C@H]1C[C@@](O)(c2ccc[nH]2)CCO1 307476794 346064058 /nfs/dbraw/zinc/06/40/58/346064058.db2.gz LNHAIYBOWRPOMI-WCBMZHEXSA-N 0 0 181.235 1.401 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@]12[C@@H](CO)C2(C)C 307477362 346064063 /nfs/dbraw/zinc/06/40/63/346064063.db2.gz CVXNRYRLHOGFJG-HJGDQZAQSA-N 0 0 184.279 1.818 10 0 ADAERN CC[C@H](C)c1nc(C)c(OC)c(N)n1 307477549 346064068 /nfs/dbraw/zinc/06/40/68/346064068.db2.gz MGCLOKGGCJQYRI-LURJTMIESA-N 0 0 195.266 1.889 10 0 ADAERN C[C@H]1C(=O)NC[C@@]1(C)C1CCCC1 307476862 346064096 /nfs/dbraw/zinc/06/40/96/346064096.db2.gz UZDGUOZLYXWXSH-GZMMTYOYSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H]1CCN(c2ncc(N)s2)[C@H]1C 307477525 346064111 /nfs/dbraw/zinc/06/41/11/346064111.db2.gz MDNWYBICWSWJOS-BQBZGAKWSA-N 0 0 197.307 1.960 10 0 ADAERN OC[C@H](NO)c1ccccc1Cl 307476773 346064118 /nfs/dbraw/zinc/06/41/18/346064118.db2.gz HFVGZPRWODTVSL-QMMMGPOBSA-N 0 0 187.626 1.352 10 0 ADAERN C[C@@H]1C[C@](O)(c2ccc[nH]2)CCO1 307476788 346064120 /nfs/dbraw/zinc/06/41/20/346064120.db2.gz LNHAIYBOWRPOMI-SCZZXKLOSA-N 0 0 181.235 1.401 10 0 ADAERN C[C@@H]1C(=O)NC[C@]1(C)C1CCCC1 307476866 346064126 /nfs/dbraw/zinc/06/41/26/346064126.db2.gz UZDGUOZLYXWXSH-KCJUWKMLSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H]1[C@H](C)CCN1c1ncc(N)s1 307477528 346064137 /nfs/dbraw/zinc/06/41/37/346064137.db2.gz MDNWYBICWSWJOS-RQJHMYQMSA-N 0 0 197.307 1.960 10 0 ADAERN C[C@H]1C[C@](O)(c2ccc[nH]2)CCO1 307476798 346064143 /nfs/dbraw/zinc/06/41/43/346064143.db2.gz LNHAIYBOWRPOMI-WPRPVWTQSA-N 0 0 181.235 1.401 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1ccoc1 307477460 346064221 /nfs/dbraw/zinc/06/42/21/346064221.db2.gz VMKJQQPFEZFTHZ-CBAPKCEASA-N 0 0 179.219 1.808 10 0 ADAERN C[C@H]1C(=O)NC[C@]1(C)C1CCCC1 307476869 346064258 /nfs/dbraw/zinc/06/42/58/346064258.db2.gz UZDGUOZLYXWXSH-KWQFWETISA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H]1C[C@]2([C@@H](C)O1)[C@H](CO)C2(C)C 307477361 346064291 /nfs/dbraw/zinc/06/42/91/346064291.db2.gz CVXNRYRLHOGFJG-CDLYGTGVSA-N 0 0 184.279 1.818 10 0 ADAERN C[C@H]1CCN(c2ncc(N)s2)[C@@H]1C 307477526 346064300 /nfs/dbraw/zinc/06/43/00/346064300.db2.gz MDNWYBICWSWJOS-NKWVEPMBSA-N 0 0 197.307 1.960 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@]12[C@H](CO)C2(C)C 307477364 346064307 /nfs/dbraw/zinc/06/43/07/346064307.db2.gz CVXNRYRLHOGFJG-LOKLDPHHSA-N 0 0 184.279 1.818 10 0 ADAERN C[C@@H]1C[C@@]2([C@@H](CO)C2(C)C)[C@@H](C)O1 307477365 346064315 /nfs/dbraw/zinc/06/43/15/346064315.db2.gz CVXNRYRLHOGFJG-REIXXSIJSA-N 0 0 184.279 1.818 10 0 ADAERN C[C@@H]1CCN(c2ncc(N)s2)[C@@H]1C 307477527 346064322 /nfs/dbraw/zinc/06/43/22/346064322.db2.gz MDNWYBICWSWJOS-RNFRBKRXSA-N 0 0 197.307 1.960 10 0 ADAERN CC1(C)OCc2sc(C=O)nc21 307477130 346064334 /nfs/dbraw/zinc/06/43/34/346064334.db2.gz LYCHNEZWMSKDBA-UHFFFAOYSA-N 0 0 183.232 1.721 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccc[nH]2)CCO1 307476784 346064349 /nfs/dbraw/zinc/06/43/49/346064349.db2.gz LNHAIYBOWRPOMI-PSASIEDQSA-N 0 0 181.235 1.401 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]1(C)C1CCCC1 307476901 346064354 /nfs/dbraw/zinc/06/43/54/346064354.db2.gz UZDGUOZLYXWXSH-LDYMZIIASA-N 0 0 181.279 1.949 10 0 ADAERN CN(C)Nc1cc(F)c(F)cc1N 307478140 346064630 /nfs/dbraw/zinc/06/46/30/346064630.db2.gz IPOVNZCQTWYCHK-UHFFFAOYSA-N 0 0 187.193 1.436 10 0 ADAERN Cc1noc(CC2CCC2)n1 307477605 346064640 /nfs/dbraw/zinc/06/46/40/346064640.db2.gz HYUQEEODRWJOAV-UHFFFAOYSA-N 0 0 152.197 1.721 10 0 ADAERN C[C@H]1[C@H](C)CC[N@@H+]1C/C=C/C(=O)[O-] 307478799 346065125 /nfs/dbraw/zinc/06/51/25/346065125.db2.gz NPWWHDQTNLJCFQ-BKIAHZASSA-N 0 0 183.251 1.358 10 0 ADAERN C/C=C/CNc1nnc(C)c(C)n1 307479118 346065179 /nfs/dbraw/zinc/06/51/79/346065179.db2.gz FOKGCHYMMLVPTJ-SNAWJCMRSA-N 0 0 178.239 1.476 10 0 ADAERN CC(C)[C@@H](NC(N)=S)C1CC1 307478764 346065244 /nfs/dbraw/zinc/06/52/44/346065244.db2.gz NOAXZTWCVVOHLN-SSDOTTSWSA-N 0 0 172.297 1.254 10 0 ADAERN C/C=C/C[C@H]1COC(C)(C)C1=O 307478649 346065297 /nfs/dbraw/zinc/06/52/97/346065297.db2.gz FEPQPIWLFCCCHC-ZJELKQJVSA-N 0 0 168.236 1.947 10 0 ADAERN CC(C)[C@H](NC(N)=S)C1CC1 307478766 346065340 /nfs/dbraw/zinc/06/53/40/346065340.db2.gz NOAXZTWCVVOHLN-ZETCQYMHSA-N 0 0 172.297 1.254 10 0 ADAERN Cc1cccc(N2CC=CC2)c1N 307478840 346065366 /nfs/dbraw/zinc/06/53/66/346065366.db2.gz NSRQUKULMRYLCX-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN C[C@@H]1CC[N@H+](C/C=C/C(=O)[O-])[C@@H]1C 307478802 346065440 /nfs/dbraw/zinc/06/54/40/346065440.db2.gz NPWWHDQTNLJCFQ-HUGTUPKYSA-N 0 0 183.251 1.358 10 0 ADAERN C/C=C/C[C@@H]1COC(C)(C)C1=O 307478647 346065448 /nfs/dbraw/zinc/06/54/48/346065448.db2.gz FEPQPIWLFCCCHC-WTSVBCDHSA-N 0 0 168.236 1.947 10 0 ADAERN CSC(C)(C)C(N)=S 307479838 346065688 /nfs/dbraw/zinc/06/56/88/346065688.db2.gz OKRYQJDUUPOCRR-UHFFFAOYSA-N 0 0 149.284 1.414 10 0 ADAERN NC(=O)N1CCCC12CCCC2 307480005 346065774 /nfs/dbraw/zinc/06/57/74/346065774.db2.gz XFZCBNDOCWEDRV-UHFFFAOYSA-N 0 0 168.240 1.474 10 0 ADAERN CCC(=O)NC1(C2(C)CC2)CC1 307479488 346065988 /nfs/dbraw/zinc/06/59/88/346065988.db2.gz WVNZERVKDDFLLU-UHFFFAOYSA-N 0 0 167.252 1.845 10 0 ADAERN Cc1cnnc(NCCF)c1 307480340 346066020 /nfs/dbraw/zinc/06/60/20/346066020.db2.gz ORKZXPOQNBUCFN-UHFFFAOYSA-N 0 0 155.176 1.166 10 0 ADAERN Nc1ccc(-c2ccsn2)cn1 307480425 346066021 /nfs/dbraw/zinc/06/60/21/346066021.db2.gz OVNHFYBZTWZSKC-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN C[C@@H]1NC(=O)[C@@H]1C(C)(C)C 307481172 346066189 /nfs/dbraw/zinc/06/61/89/346066189.db2.gz HGBGBIGKLBHEMA-NTSWFWBYSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@H]1NC(=O)[C@@H]1C(C)(C)C 307481173 346066241 /nfs/dbraw/zinc/06/62/41/346066241.db2.gz HGBGBIGKLBHEMA-PHDIDXHHSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@H](Cc1csc(Cl)c1)NN 307481142 346066251 /nfs/dbraw/zinc/06/62/51/346066251.db2.gz HDZKQGMBFIDQLJ-RXMQYKEDSA-N 0 0 190.699 1.796 10 0 ADAERN C[C@@H](Cc1csc(Cl)c1)NN 307481143 346066302 /nfs/dbraw/zinc/06/63/02/346066302.db2.gz HDZKQGMBFIDQLJ-YFKPBYRVSA-N 0 0 190.699 1.796 10 0 ADAERN C[N@H+]([C@@H]1CC[C@H]2C[C@H]21)C(C)(C)C(=O)[O-] 307480623 346066308 /nfs/dbraw/zinc/06/63/08/346066308.db2.gz GQRKPEOHORWJJS-DJLDLDEBSA-N 0 0 197.278 1.580 10 0 ADAERN CC[C@H](NN)c1ccsn1 307480872 346066407 /nfs/dbraw/zinc/06/64/07/346066407.db2.gz KLDPCLUZUDDNIY-YFKPBYRVSA-N 0 0 157.242 1.058 10 0 ADAERN C[N@H+]([C@@H]1CC[C@@H]2C[C@@H]21)C(C)(C)C(=O)[O-] 307480624 346066463 /nfs/dbraw/zinc/06/64/63/346066463.db2.gz GQRKPEOHORWJJS-HRDYMLBCSA-N 0 0 197.278 1.580 10 0 ADAERN C[C@@H]1NC(=O)[C@H]1C(C)(C)C 307481175 346066475 /nfs/dbraw/zinc/06/64/75/346066475.db2.gz HGBGBIGKLBHEMA-WDSKDSINSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@H]1NC(=O)[C@H]1C(C)(C)C 307481174 346066490 /nfs/dbraw/zinc/06/64/90/346066490.db2.gz HGBGBIGKLBHEMA-RITPCOANSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@@H](NN)c1ccsn1 307480871 346066503 /nfs/dbraw/zinc/06/65/03/346066503.db2.gz KLDPCLUZUDDNIY-RXMQYKEDSA-N 0 0 157.242 1.058 10 0 ADAERN CC[C@]1(C2CC2)CNC(=O)[C@H]1C 307482503 346066677 /nfs/dbraw/zinc/06/66/77/346066677.db2.gz YXPPWZZCBQJRIP-XCBNKYQSSA-N 0 0 167.252 1.559 10 0 ADAERN CC[C@@]1(C2CC2)CNC(=O)[C@H]1C 307482482 346066684 /nfs/dbraw/zinc/06/66/84/346066684.db2.gz YXPPWZZCBQJRIP-GMSGAONNSA-N 0 0 167.252 1.559 10 0 ADAERN CN1CC(F)(c2ccccc2F)C1 307482205 346066691 /nfs/dbraw/zinc/06/66/91/346066691.db2.gz LTGLPBWNCOTPFT-UHFFFAOYSA-N 0 0 183.201 1.936 10 0 ADAERN CC[C@]1(C2CC2)CNC(=O)[C@@H]1C 307482513 346066746 /nfs/dbraw/zinc/06/67/46/346066746.db2.gz YXPPWZZCBQJRIP-XVKPBYJWSA-N 0 0 167.252 1.559 10 0 ADAERN CC[S@](=O)Nc1ccccc1O 307481882 346066751 /nfs/dbraw/zinc/06/67/51/346066751.db2.gz LMCOKEOQWRHDOF-LBPRGKRZSA-N 0 0 185.248 1.488 10 0 ADAERN CC[S@@](=O)Nc1ccccc1O 307481877 346066767 /nfs/dbraw/zinc/06/67/67/346066767.db2.gz LMCOKEOQWRHDOF-GFCCVEGCSA-N 0 0 185.248 1.488 10 0 ADAERN Cc1nnsc1[C@@H]1NCCS1 307482531 346066962 /nfs/dbraw/zinc/06/69/62/346066962.db2.gz RDCFANVPMXJDTJ-ZCFIWIBFSA-N 0 0 187.293 1.182 10 0 ADAERN Cc1nnsc1[C@H]1NCCS1 307482530 346066991 /nfs/dbraw/zinc/06/69/91/346066991.db2.gz RDCFANVPMXJDTJ-LURJTMIESA-N 0 0 187.293 1.182 10 0 ADAERN COC(C)(C)C1=NC(=O)CS1 307482350 346067047 /nfs/dbraw/zinc/06/70/47/346067047.db2.gz QUIPQSWHIAFNBE-UHFFFAOYSA-N 0 0 173.237 1.083 10 0 ADAERN CC[C@@]1(C2CC2)CNC(=O)[C@@H]1C 307482493 346067056 /nfs/dbraw/zinc/06/70/56/346067056.db2.gz YXPPWZZCBQJRIP-OIBJUYFYSA-N 0 0 167.252 1.559 10 0 ADAERN CC(C)N(C)c1cnc(Cl)cn1 307482623 346067224 /nfs/dbraw/zinc/06/72/24/346067224.db2.gz ZCSWHQWVHYSPSH-UHFFFAOYSA-N 0 0 185.658 1.975 10 0 ADAERN CC(C)(C)[C@H](NC=O)C1CC1 307483209 346067228 /nfs/dbraw/zinc/06/72/28/346067228.db2.gz LZTCLSRXGNTBGJ-MRVPVSSYSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1ocnc1Cn1cc[nH]c1=S 307482819 346067245 /nfs/dbraw/zinc/06/72/45/346067245.db2.gz ZMOKYJRCTFOIJH-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN CCCCN1C(=O)[C@@H](C)CN(C)C1=O 307482922 346067300 /nfs/dbraw/zinc/06/73/00/346067300.db2.gz SBQMXKCDHPNGMR-QMMMGPOBSA-N 0 0 198.266 1.317 10 0 ADAERN C[NH2+]CC(=O)Nc1cscc1C 307482686 346067322 /nfs/dbraw/zinc/06/73/22/346067322.db2.gz RNFOXNHLLVGTMX-UHFFFAOYSA-N 0 0 184.264 1.214 10 0 ADAERN CC1(C)SC[C@@H]1Nc1cccnn1 307483261 346067325 /nfs/dbraw/zinc/06/73/25/346067325.db2.gz ABJOXPHBYKFMGV-ZETCQYMHSA-N 0 0 195.291 1.783 10 0 ADAERN CC(C)(C)[C@@H](NC=O)C1CC1 307483213 346067330 /nfs/dbraw/zinc/06/73/30/346067330.db2.gz LZTCLSRXGNTBGJ-QMMMGPOBSA-N 0 0 155.241 1.557 10 0 ADAERN CCCCN1C(=O)[C@H](C)CN(C)C1=O 307482921 346067359 /nfs/dbraw/zinc/06/73/59/346067359.db2.gz SBQMXKCDHPNGMR-MRVPVSSYSA-N 0 0 198.266 1.317 10 0 ADAERN CN(Cc1nccs1)c1ncc[nH]1 307483912 346067553 /nfs/dbraw/zinc/06/75/53/346067553.db2.gz SUKRIMCCWSYDKP-UHFFFAOYSA-N 0 0 194.263 1.503 10 0 ADAERN C[C@H]1CC[C@@]1(O)CC1CC1 307483578 346067569 /nfs/dbraw/zinc/06/75/69/346067569.db2.gz AGWCOKHDXLGYSG-IONNQARKSA-N 0 0 140.226 1.948 10 0 ADAERN C[C@H]1CN(Cc2nccn2C)[C@H]1C 307483353 346067768 /nfs/dbraw/zinc/06/77/68/346067768.db2.gz MCKVTTHWFPCEHD-IUCAKERBSA-N 0 0 179.267 1.260 10 0 ADAERN COCc1[nH+]c(C)n(C(C)C)c1N 307483399 346067798 /nfs/dbraw/zinc/06/77/98/346067798.db2.gz HKIKEKMXZFGGDV-UHFFFAOYSA-N 0 0 183.255 1.501 10 0 ADAERN C[C@@H]1CC[C@@]1(O)CC1CC1 307483585 346067841 /nfs/dbraw/zinc/06/78/41/346067841.db2.gz AGWCOKHDXLGYSG-VXNVDRBHSA-N 0 0 140.226 1.948 10 0 ADAERN C[C@H]1[C@H](C)CN1Cc1nccn1C 307483339 346067908 /nfs/dbraw/zinc/06/79/08/346067908.db2.gz MCKVTTHWFPCEHD-BDAKNGLRSA-N 0 0 179.267 1.260 10 0 ADAERN Cc1cc(=S)[nH]c(-c2cn[nH]c2)n1 307483306 346067926 /nfs/dbraw/zinc/06/79/26/346067926.db2.gz HOOXVAROMCIVPT-UHFFFAOYSA-N 0 0 192.247 1.838 10 0 ADAERN C[C@H]1CN(Cc2nccn2C)[C@@H]1C 307483346 346067929 /nfs/dbraw/zinc/06/79/29/346067929.db2.gz MCKVTTHWFPCEHD-DTWKUNHWSA-N 0 0 179.267 1.260 10 0 ADAERN C[C@H]1CC[C@]1(O)CC1CC1 307483569 346067947 /nfs/dbraw/zinc/06/79/47/346067947.db2.gz AGWCOKHDXLGYSG-CBAPKCEASA-N 0 0 140.226 1.948 10 0 ADAERN C[C@@H]1CC[C@]1(O)CC1CC1 307483561 346067998 /nfs/dbraw/zinc/06/79/98/346067998.db2.gz AGWCOKHDXLGYSG-APPZFPTMSA-N 0 0 140.226 1.948 10 0 ADAERN COc1nccnc1C(=O)C(C)(C)F 307484315 346068119 /nfs/dbraw/zinc/06/81/19/346068119.db2.gz AYABYFIYCXBAPN-UHFFFAOYSA-N 0 0 198.197 1.416 10 0 ADAERN CC[S@](=O)Cc1cccc(C)n1 307484102 346068235 /nfs/dbraw/zinc/06/82/35/346068235.db2.gz IBVYAIHHFGWGRP-LBPRGKRZSA-N 0 0 183.276 1.659 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1C1CC1 307484287 346068244 /nfs/dbraw/zinc/06/82/44/346068244.db2.gz IFPYYTPEIBTYDO-IONNQARKSA-N 0 0 153.225 1.311 10 0 ADAERN C1=C(CNc2cn[nH]c2)COCC1 307484609 346068305 /nfs/dbraw/zinc/06/83/05/346068305.db2.gz UBDWWPPIXIVREB-UHFFFAOYSA-N 0 0 179.223 1.168 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1C1CC1 307484260 346068322 /nfs/dbraw/zinc/06/83/22/346068322.db2.gz IFPYYTPEIBTYDO-APPZFPTMSA-N 0 0 153.225 1.311 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1C1CC1 307484299 346068333 /nfs/dbraw/zinc/06/83/33/346068333.db2.gz IFPYYTPEIBTYDO-VXNVDRBHSA-N 0 0 153.225 1.311 10 0 ADAERN CC[S@@](=O)Cc1cccc(C)n1 307484100 346068343 /nfs/dbraw/zinc/06/83/43/346068343.db2.gz IBVYAIHHFGWGRP-GFCCVEGCSA-N 0 0 183.276 1.659 10 0 ADAERN CCc1ncncc1[C@@H](O)CC 307484511 346068368 /nfs/dbraw/zinc/06/83/68/346068368.db2.gz ATYQZDDPFBASRM-VIFPVBQESA-N 0 0 166.224 1.482 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1C1CC1 307484274 346068446 /nfs/dbraw/zinc/06/84/46/346068446.db2.gz IFPYYTPEIBTYDO-CBAPKCEASA-N 0 0 153.225 1.311 10 0 ADAERN Clc1ccnc(-c2csnn2)n1 307484358 346068452 /nfs/dbraw/zinc/06/84/52/346068452.db2.gz BIPGUYDRYHZGLC-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN Cn1nc(CC2(C)CC2)[nH]c1=S 307484508 346068464 /nfs/dbraw/zinc/06/84/64/346068464.db2.gz ATTWLKMQRCJODT-UHFFFAOYSA-N 0 0 183.280 1.446 10 0 ADAERN CN(C(=O)[C@]1(C)CCCO1)C1CC1 307484583 346068533 /nfs/dbraw/zinc/06/85/33/346068533.db2.gz AXOCVNHHTDVJBX-JTQLQIEISA-N 0 0 183.251 1.176 10 0 ADAERN c1cnc(N[C@@H]2CC[C@H]3C[C@H]32)nc1 307485037 346068733 /nfs/dbraw/zinc/06/87/33/346068733.db2.gz ISWACISETQOFBA-DJLDLDEBSA-N 0 0 175.235 1.687 10 0 ADAERN c1cnc(N[C@@H]2CC[C@@H]3C[C@@H]32)nc1 307485047 346068802 /nfs/dbraw/zinc/06/88/02/346068802.db2.gz ISWACISETQOFBA-HRDYMLBCSA-N 0 0 175.235 1.687 10 0 ADAERN Cc1nc(N)nc(CC2CCC2)n1 307485051 346068822 /nfs/dbraw/zinc/06/88/22/346068822.db2.gz BMCLPTDFDFBVBC-UHFFFAOYSA-N 0 0 178.239 1.105 10 0 ADAERN O=Cc1csc(-c2csnn2)n1 307485653 346068838 /nfs/dbraw/zinc/06/88/38/346068838.db2.gz ARMRWXZPWPDTPY-UHFFFAOYSA-N 0 0 197.244 1.474 10 0 ADAERN CC(C)n1cc(-c2cn[nH]c2)cn1 307484822 346068895 /nfs/dbraw/zinc/06/88/95/346068895.db2.gz INIYZILUNGCHCY-UHFFFAOYSA-N 0 0 176.223 1.854 10 0 ADAERN Clc1cnc(N2CCCCN2)cn1 307485157 346068932 /nfs/dbraw/zinc/06/89/32/346068932.db2.gz BRLXIGZXHRCDEV-UHFFFAOYSA-N 0 0 198.657 1.235 10 0 ADAERN CC(C)=C(F)c1nc(CN)no1 307485097 346068935 /nfs/dbraw/zinc/06/89/35/346068935.db2.gz ITPMEAOGAFTVEQ-UHFFFAOYSA-N 0 0 171.175 1.249 10 0 ADAERN CN(C(=O)[C@@]1(C)CCCO1)C1CC1 307485440 346068947 /nfs/dbraw/zinc/06/89/47/346068947.db2.gz AXOCVNHHTDVJBX-SNVBAGLBSA-N 0 0 183.251 1.176 10 0 ADAERN CC(C)[C@@H]1N=C(CC2CCC2)NC1=O 307485799 346069187 /nfs/dbraw/zinc/06/91/87/346069187.db2.gz BCTWTSPMTKQHHQ-JTQLQIEISA-N 0 0 194.278 1.730 10 0 ADAERN CC(C)[C@H]1N=C(CC2CCC2)NC1=O 307485800 346069254 /nfs/dbraw/zinc/06/92/54/346069254.db2.gz BCTWTSPMTKQHHQ-SNVBAGLBSA-N 0 0 194.278 1.730 10 0 ADAERN Cc1[nH]c(=O)n(C/C=C/Cl)c1C 307486268 346069393 /nfs/dbraw/zinc/06/93/93/346069393.db2.gz NAQHOMFEVPEFDX-ONEGZZNKSA-N 0 0 186.642 1.546 10 0 ADAERN C=CC(=O)NCc1ccc(C)cn1 307486397 346069416 /nfs/dbraw/zinc/06/94/16/346069416.db2.gz BYPYPKYFMJSBLB-UHFFFAOYSA-N 0 0 176.219 1.192 10 0 ADAERN O=C(C[C@@H]1CCOC1)C(F)F 307485886 346069443 /nfs/dbraw/zinc/06/94/43/346069443.db2.gz BSUMYUAWOZZTDU-YFKPBYRVSA-N 0 0 164.151 1.247 10 0 ADAERN O=C(C[C@H]1CCOC1)C(F)F 307485876 346069456 /nfs/dbraw/zinc/06/94/56/346069456.db2.gz BSUMYUAWOZZTDU-RXMQYKEDSA-N 0 0 164.151 1.247 10 0 ADAERN C[C@@H](c1n[nH]c(=O)o1)C(C)(C)C 307487344 346069702 /nfs/dbraw/zinc/06/97/02/346069702.db2.gz CEHADYVKPVQXRO-YFKPBYRVSA-N 0 0 170.212 1.513 10 0 ADAERN O=C(c1ccoc1)[C@@H]1[C@H]2COC[C@H]21 307488453 346070130 /nfs/dbraw/zinc/07/01/30/346070130.db2.gz OLAJEKFUIOCTEJ-BRPSZJMVSA-N 0 0 178.187 1.355 10 0 ADAERN O=C(N[C@@H]1CCCC1(F)F)C(F)F 307488294 346070246 /nfs/dbraw/zinc/07/02/46/346070246.db2.gz OHSLTHHPGGAGGM-SCSAIBSYSA-N 0 0 199.147 1.556 10 0 ADAERN O=C(N[C@H]1CCCC1(F)F)C(F)F 307488292 346070273 /nfs/dbraw/zinc/07/02/73/346070273.db2.gz OHSLTHHPGGAGGM-BYPYZUCNSA-N 0 0 199.147 1.556 10 0 ADAERN Clc1noc(C[C@@H]2CCOC2)n1 307488764 346070531 /nfs/dbraw/zinc/07/05/31/346070531.db2.gz DNGBFLMJCSOTHE-YFKPBYRVSA-N 0 0 188.614 1.302 10 0 ADAERN Clc1noc(C[C@H]2CCOC2)n1 307488763 346070523 /nfs/dbraw/zinc/07/05/23/346070523.db2.gz DNGBFLMJCSOTHE-RXMQYKEDSA-N 0 0 188.614 1.302 10 0 ADAERN Clc1c[nH]nc1-c1ccncn1 307488644 346070648 /nfs/dbraw/zinc/07/06/48/346070648.db2.gz WRPDHNFOOXRZPC-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN Nc1ccc(NCCCF)nc1 307490349 346071020 /nfs/dbraw/zinc/07/10/20/346071020.db2.gz FNHVBVLSCULJJQ-UHFFFAOYSA-N 0 0 169.203 1.435 10 0 ADAERN Cc1nc([C@H](N)c2ccns2)co1 307489474 346071057 /nfs/dbraw/zinc/07/10/57/346071057.db2.gz DXSIWKINVSTZBP-QMMMGPOBSA-N 0 0 195.247 1.488 10 0 ADAERN Cc1nnsc1[C@@H](N)c1ccc[nH]1 307490180 346071101 /nfs/dbraw/zinc/07/11/01/346071101.db2.gz AGODMQIWTKGXLW-ZETCQYMHSA-N 0 0 194.263 1.223 10 0 ADAERN Cc1nc([C@@H](N)c2ccns2)co1 307489473 346071144 /nfs/dbraw/zinc/07/11/44/346071144.db2.gz DXSIWKINVSTZBP-MRVPVSSYSA-N 0 0 195.247 1.488 10 0 ADAERN CNc1cc(N[C@H]2CC[C@@H]2C)ncn1 307489731 346071160 /nfs/dbraw/zinc/07/11/60/346071160.db2.gz DYQWDYCVDNWWTO-YUMQZZPRSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1cc(N[C@@H]2CC[C@H]2C)ncn1 307489708 346071165 /nfs/dbraw/zinc/07/11/65/346071165.db2.gz DYQWDYCVDNWWTO-HTQZYQBOSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1cc(N[C@@H]2CC[C@@H]2C)ncn1 307489718 346071177 /nfs/dbraw/zinc/07/11/77/346071177.db2.gz DYQWDYCVDNWWTO-JGVFFNPUSA-N 0 0 192.266 1.729 10 0 ADAERN Cc1cc(C(N)=O)cc(Cl)c1F 307489800 346071180 /nfs/dbraw/zinc/07/11/80/346071180.db2.gz GLNMSGWILXCPMK-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN Cc1nnsc1[C@H](N)c1ccc[nH]1 307490178 346071236 /nfs/dbraw/zinc/07/12/36/346071236.db2.gz AGODMQIWTKGXLW-SSDOTTSWSA-N 0 0 194.263 1.223 10 0 ADAERN Cc1cc(N[C@@H]2C[C@H]2C)nnc1C 307490234 346071247 /nfs/dbraw/zinc/07/12/47/346071247.db2.gz OYVXUVJPNXAVPW-VXNVDRBHSA-N 0 0 177.251 1.914 10 0 ADAERN CCC[N@@H+]1CC/C(=C(\F)C(=O)[O-])C1 307490536 346071254 /nfs/dbraw/zinc/07/12/54/346071254.db2.gz HAUFOYKAPSYWRB-BQYQJAHWSA-N 0 0 187.214 1.410 10 0 ADAERN CNc1cc(N[C@H]2CC[C@H]2C)ncn1 307489724 346071269 /nfs/dbraw/zinc/07/12/69/346071269.db2.gz DYQWDYCVDNWWTO-SFYZADRCSA-N 0 0 192.266 1.729 10 0 ADAERN CCC1(NC(N)=S)CCCCC1 307490874 346071644 /nfs/dbraw/zinc/07/16/44/346071644.db2.gz AVFLZNQZVIYFDM-UHFFFAOYSA-N 0 0 186.324 1.933 10 0 ADAERN CCC[C@@]1(NC#N)CCOC1 307491460 346071765 /nfs/dbraw/zinc/07/17/65/346071765.db2.gz PODSFUWMQNLACB-MRVPVSSYSA-N 0 0 154.213 1.016 10 0 ADAERN C1CNC2(CSC2)SC1 307491442 346071833 /nfs/dbraw/zinc/07/18/33/346071833.db2.gz GMVLTDJUNFMEHA-UHFFFAOYSA-N 0 0 161.295 1.156 10 0 ADAERN CCC[C@]1(NC#N)CCOC1 307491462 346071836 /nfs/dbraw/zinc/07/18/36/346071836.db2.gz PODSFUWMQNLACB-QMMMGPOBSA-N 0 0 154.213 1.016 10 0 ADAERN O[C@@]1(c2ccc[nH]2)CCSC1 307491822 346072193 /nfs/dbraw/zinc/07/21/93/346072193.db2.gz GQXVRWFYAVIEMD-QMMMGPOBSA-N 0 0 169.249 1.339 10 0 ADAERN O[C@]1(c2ccc[nH]2)CCSC1 307491821 346072256 /nfs/dbraw/zinc/07/22/56/346072256.db2.gz GQXVRWFYAVIEMD-MRVPVSSYSA-N 0 0 169.249 1.339 10 0 ADAERN CCC1(NC#N)CCOCC1 307491989 346072292 /nfs/dbraw/zinc/07/22/92/346072292.db2.gz YWCQHMLGVMSYQU-UHFFFAOYSA-N 0 0 154.213 1.016 10 0 ADAERN O[C@]1(c2ccc[nH]2)CCCOCC1 307492518 346072409 /nfs/dbraw/zinc/07/24/09/346072409.db2.gz ZENHFXAUIFDMFT-SNVBAGLBSA-N 0 0 181.235 1.403 10 0 ADAERN O[C@@]1(c2ccc[nH]2)CCCOCC1 307492517 346072433 /nfs/dbraw/zinc/07/24/33/346072433.db2.gz ZENHFXAUIFDMFT-JTQLQIEISA-N 0 0 181.235 1.403 10 0 ADAERN COc1c(F)cncc1C=O 307491945 346072464 /nfs/dbraw/zinc/07/24/64/346072464.db2.gz GZPRICZTDGRIKC-UHFFFAOYSA-N 0 0 155.128 1.042 10 0 ADAERN Cc1cccn(COC(C)C)c1=O 307491681 346072484 /nfs/dbraw/zinc/07/24/84/346072484.db2.gz GMUMWQLMZNZQGI-UHFFFAOYSA-N 0 0 181.235 1.539 10 0 ADAERN CCC(=O)Nc1ccc(OC)cn1 307491607 346072491 /nfs/dbraw/zinc/07/24/91/346072491.db2.gz GIQRNQLSCMTLBY-UHFFFAOYSA-N 0 0 180.207 1.439 10 0 ADAERN C/C=C/CNc1ncns1 307493304 346072870 /nfs/dbraw/zinc/07/28/70/346072870.db2.gz QOAOLMBRKXXZEH-NSCUHMNNSA-N 0 0 155.226 1.526 10 0 ADAERN Cn1cnc(C(=O)C2(C)CC2)c1 307492816 346072891 /nfs/dbraw/zinc/07/28/91/346072891.db2.gz JXRDIBCBUNBNFK-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN Cc1ncc(C[NH2+][C@@H]2CC[C@H]2C)cn1 307492809 346072917 /nfs/dbraw/zinc/07/29/17/346072917.db2.gz QDWDQNJOIBLWQR-LDYMZIIASA-N 0 0 191.278 1.673 10 0 ADAERN CC(C)=C(C)C(=O)N[C@@H]1C[C@H]1C 307493340 346072932 /nfs/dbraw/zinc/07/29/32/346072932.db2.gz QQXXWZINZRKHHZ-VXNVDRBHSA-N 0 0 167.252 1.867 10 0 ADAERN CC1(C)C[C@H]1[C@]1(C)CC(=O)N1 307493185 346072980 /nfs/dbraw/zinc/07/29/80/346072980.db2.gz KMPDJAKMXKHITC-MUWHJKNJSA-N 0 0 153.225 1.311 10 0 ADAERN CC1(C)C[C@@H]1[C@@]1(C)CC(=O)N1 307493184 346072992 /nfs/dbraw/zinc/07/29/92/346072992.db2.gz KMPDJAKMXKHITC-IMTBSYHQSA-N 0 0 153.225 1.311 10 0 ADAERN CC1(C)C[C@H]1[C@@]1(C)CC(=O)N1 307493182 346073010 /nfs/dbraw/zinc/07/30/10/346073010.db2.gz KMPDJAKMXKHITC-HZGVNTEJSA-N 0 0 153.225 1.311 10 0 ADAERN Cc1ncc(C[NH2+][C@H]2CC[C@H]2C)cn1 307492795 346073023 /nfs/dbraw/zinc/07/30/23/346073023.db2.gz QDWDQNJOIBLWQR-KCJUWKMLSA-N 0 0 191.278 1.673 10 0 ADAERN Cc1ncc(C[NH2+][C@@H]2CC[C@@H]2C)cn1 307492789 346073045 /nfs/dbraw/zinc/07/30/45/346073045.db2.gz QDWDQNJOIBLWQR-GZMMTYOYSA-N 0 0 191.278 1.673 10 0 ADAERN O=C1CCSc2ncc(F)cc2N1 307492604 346073060 /nfs/dbraw/zinc/07/30/60/346073060.db2.gz HIYDKJXJJUSTRK-UHFFFAOYSA-N 0 0 198.222 1.655 10 0 ADAERN CC1(C)C[C@@H]1[C@]1(C)CC(=O)N1 307493186 346073071 /nfs/dbraw/zinc/07/30/71/346073071.db2.gz KMPDJAKMXKHITC-RCOVLWMOSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@@H]1CC[C@@]12C[C@H](O)CCO2 307493631 346073262 /nfs/dbraw/zinc/07/32/62/346073262.db2.gz KUZXOZAUCLODHK-IWSPIJDZSA-N 0 0 156.225 1.326 10 0 ADAERN CN(C)Cc1noc(C2(C)CC2)n1 307493949 346073277 /nfs/dbraw/zinc/07/32/77/346073277.db2.gz BNPUDQYPLCQPKP-UHFFFAOYSA-N 0 0 181.239 1.183 10 0 ADAERN OCCNc1csc(Cl)n1 307493481 346073354 /nfs/dbraw/zinc/07/33/54/346073354.db2.gz HPFYCZJENWESOP-UHFFFAOYSA-N 0 0 178.644 1.201 10 0 ADAERN C[C@@H]1CC[C@]12C[C@@H](O)CCO2 307493633 346073362 /nfs/dbraw/zinc/07/33/62/346073362.db2.gz KUZXOZAUCLODHK-VGMNWLOBSA-N 0 0 156.225 1.326 10 0 ADAERN COCCSCC(F)F 307493516 346073366 /nfs/dbraw/zinc/07/33/66/346073366.db2.gz AYXKZDPGKQLCNY-UHFFFAOYSA-N 0 0 156.197 1.631 10 0 ADAERN COc1c[nH]c(=O)cc1C 307493504 346073573 /nfs/dbraw/zinc/07/35/73/346073573.db2.gz DXTAZUHNOYPLBT-UHFFFAOYSA-N 0 0 139.154 1.104 10 0 ADAERN C[C@@H]1CC[C@]12C[C@H](O)CCO2 307493628 346073595 /nfs/dbraw/zinc/07/35/95/346073595.db2.gz KUZXOZAUCLODHK-HLTSFMKQSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1c1cscn1 307494391 346073897 /nfs/dbraw/zinc/07/38/97/346073897.db2.gz BKTLAQRBGMBXFP-APPZFPTMSA-N 0 0 196.275 1.730 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1c1cscn1 307494403 346074243 /nfs/dbraw/zinc/07/42/43/346074243.db2.gz BKTLAQRBGMBXFP-VXNVDRBHSA-N 0 0 196.275 1.730 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1c1cscn1 307494395 346074295 /nfs/dbraw/zinc/07/42/95/346074295.db2.gz BKTLAQRBGMBXFP-CBAPKCEASA-N 0 0 196.275 1.730 10 0 ADAERN Cn1cnc(C2(O)CCCCCC2)c1 307494450 346074305 /nfs/dbraw/zinc/07/43/05/346074305.db2.gz HUTGSLWIFVPESU-UHFFFAOYSA-N 0 0 194.278 1.962 10 0 ADAERN Nc1nnc(-c2sccc2F)o1 307494783 346074311 /nfs/dbraw/zinc/07/43/11/346074311.db2.gz BZJNNPFXZBLVEJ-UHFFFAOYSA-N 0 0 185.183 1.519 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1c1cscn1 307494399 346074312 /nfs/dbraw/zinc/07/43/12/346074312.db2.gz BKTLAQRBGMBXFP-IONNQARKSA-N 0 0 196.275 1.730 10 0 ADAERN CC(C)(F)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 307495497 346074527 /nfs/dbraw/zinc/07/45/27/346074527.db2.gz RLTVZOVTBIXOPR-GJMOJQLCSA-N 0 0 185.242 1.649 10 0 ADAERN CNC(=O)N1CCCC12CCCC2 307495624 346074533 /nfs/dbraw/zinc/07/45/33/346074533.db2.gz JDFBZYDRIFVPSE-UHFFFAOYSA-N 0 0 182.267 1.734 10 0 ADAERN CC(C)(F)C(=O)N[C@@H]1CC[C@H]2C[C@H]21 307495499 346074543 /nfs/dbraw/zinc/07/45/43/346074543.db2.gz RLTVZOVTBIXOPR-XLPZGREQSA-N 0 0 185.242 1.649 10 0 ADAERN COc1cncc(N[C@@H]2C[C@H]2C)n1 307495531 346074571 /nfs/dbraw/zinc/07/45/71/346074571.db2.gz RNCZRKQIELZCHY-RNFRBKRXSA-N 0 0 179.223 1.306 10 0 ADAERN CC1(c2ncc(N)cn2)CCCC1 307495370 346074604 /nfs/dbraw/zinc/07/46/04/346074604.db2.gz BZEJPHSWVRWURU-UHFFFAOYSA-N 0 0 177.251 1.891 10 0 ADAERN C[C@@]1(N2CCC(=O)C2)CC=CCC1 307496944 346074855 /nfs/dbraw/zinc/07/48/55/346074855.db2.gz JXTVWERQIHAUCK-LLVKDONJSA-N 0 0 179.263 1.760 10 0 ADAERN C[C@H]1CCS[C@@H](c2nccn2C)N1 307496382 346074885 /nfs/dbraw/zinc/07/48/85/346074885.db2.gz IWTUNHWZICAJIP-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN C[C@H]1CCS[C@H](c2nccn2C)N1 307496383 346074888 /nfs/dbraw/zinc/07/48/88/346074888.db2.gz IWTUNHWZICAJIP-IONNQARKSA-N 0 0 197.307 1.534 10 0 ADAERN O=c1[nH]cncc1-c1ccns1 307495985 346074941 /nfs/dbraw/zinc/07/49/41/346074941.db2.gz BTURCCSHCGNFAY-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN C[C@]1(N2CCC(=O)C2)CC=CCC1 307496945 346075019 /nfs/dbraw/zinc/07/50/19/346075019.db2.gz JXTVWERQIHAUCK-NSHDSACASA-N 0 0 179.263 1.760 10 0 ADAERN C[C@@H]1CCS[C@H](c2nccn2C)N1 307496384 346075085 /nfs/dbraw/zinc/07/50/85/346075085.db2.gz IWTUNHWZICAJIP-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN COCCNc1noc2ccccc12 307496959 346075124 /nfs/dbraw/zinc/07/51/24/346075124.db2.gz JZTGGXCORCXDEA-UHFFFAOYSA-N 0 0 192.218 1.886 10 0 ADAERN O=c1nc(-c2cscn2)cc[nH]1 307496385 346075134 /nfs/dbraw/zinc/07/51/34/346075134.db2.gz RSDNHZHNRLVLNU-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN C[C@@H]1CCS[C@@H](c2nccn2C)N1 307496381 346075141 /nfs/dbraw/zinc/07/51/41/346075141.db2.gz IWTUNHWZICAJIP-APPZFPTMSA-N 0 0 197.307 1.534 10 0 ADAERN O=C([O-])/C=C/C[NH+]1CC2(CCC2)C1 307496870 346075199 /nfs/dbraw/zinc/07/51/99/346075199.db2.gz JNDHINVPASTOPK-HNQUOIGGSA-N 0 0 181.235 1.113 10 0 ADAERN Cn1ccc(N[C@@H]2CCC[C@]2(C)O)n1 307497569 346075254 /nfs/dbraw/zinc/07/52/54/346075254.db2.gz JTOISINPSAJRFD-SCZZXKLOSA-N 0 0 195.266 1.136 10 0 ADAERN C[C@H](Nc1cccnc1N)C(C)(C)O 307497021 346075288 /nfs/dbraw/zinc/07/52/88/346075288.db2.gz CVEKOVSXKYFODZ-ZETCQYMHSA-N 0 0 195.266 1.235 10 0 ADAERN OCC1(Nc2cnc(Cl)cn2)CC1 307498101 346075300 /nfs/dbraw/zinc/07/53/00/346075300.db2.gz PICHVHJGBFAZNI-UHFFFAOYSA-N 0 0 199.641 1.067 10 0 ADAERN Cn1ccc(N[C@H]2CCC[C@@]2(C)O)n1 307497576 346075317 /nfs/dbraw/zinc/07/53/17/346075317.db2.gz JTOISINPSAJRFD-WCBMZHEXSA-N 0 0 195.266 1.136 10 0 ADAERN C[C@@H](Nc1cccnc1N)C(C)(C)O 307497020 346075321 /nfs/dbraw/zinc/07/53/21/346075321.db2.gz CVEKOVSXKYFODZ-SSDOTTSWSA-N 0 0 195.266 1.235 10 0 ADAERN Cc1ccc(Cl)c(F)c1C(N)=O 307498097 346075390 /nfs/dbraw/zinc/07/53/90/346075390.db2.gz GPBJYIPECKGBOL-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN CC1(C)CC[C@@]12CCC(=O)NC2 307498076 346075419 /nfs/dbraw/zinc/07/54/19/346075419.db2.gz PFDBPUKSPHJFQZ-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN Cc1cnc(Cn2nccc2N)s1 307497879 346075480 /nfs/dbraw/zinc/07/54/80/346075480.db2.gz KADNMINCGPBCHX-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cn1ccc(N[C@@H]2CCC[C@@]2(C)O)n1 307497561 346075518 /nfs/dbraw/zinc/07/55/18/346075518.db2.gz JTOISINPSAJRFD-PSASIEDQSA-N 0 0 195.266 1.136 10 0 ADAERN CC1(C)CC[C@]12CCC(=O)NC2 307498075 346075579 /nfs/dbraw/zinc/07/55/79/346075579.db2.gz PFDBPUKSPHJFQZ-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN CC1(C(=O)N2CCCN2)CCCCC1 307498650 346075775 /nfs/dbraw/zinc/07/57/75/346075775.db2.gz LFGIGKAVFKQTED-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN CC(C)Sc1ccnc(C(=N)N)n1 307498441 346076015 /nfs/dbraw/zinc/07/60/15/346076015.db2.gz KJZOUIHGWFCOFE-UHFFFAOYSA-N 0 0 196.279 1.261 10 0 ADAERN CC(C)OC1CC(Nc2c[nH]cn2)C1 307498983 346076041 /nfs/dbraw/zinc/07/60/41/346076041.db2.gz KQRDGLHXNMKXLA-UHFFFAOYSA-N 0 0 195.266 1.778 10 0 ADAERN CC1(C)CN(C(=O)[C@H]2C[C@@H]3C[C@@H]3C2)C1 307498824 346076052 /nfs/dbraw/zinc/07/60/52/346076052.db2.gz SSKGJYCBWXJCBQ-ILWJIGKKSA-N 0 0 193.290 1.901 10 0 ADAERN Brc1ccnc2c[nH]nc12 307499513 346076285 /nfs/dbraw/zinc/07/62/85/346076285.db2.gz TVNNCYGCYKWBQQ-UHFFFAOYSA-N 0 0 198.023 1.672 10 0 ADAERN CCNc1cc2c(nn1)[C@H]1C[C@H]1CC2 307499257 346076364 /nfs/dbraw/zinc/07/63/64/346076364.db2.gz LDBKIRZVTVKPSJ-APPZFPTMSA-N 0 0 189.262 1.958 10 0 ADAERN C[C@@H]1CC[C@@H]2O[C@@H](C)O[C@H]2O1 307499600 346076423 /nfs/dbraw/zinc/07/64/23/346076423.db2.gz RHPWZRGTPMMHEW-OOJXKGFFSA-N 0 0 158.197 1.273 10 0 in-vitro ADAERN C[C@H]1O[C@H]2CC[C@@H](C)O[C@H]2O1 307499599 346076429 /nfs/dbraw/zinc/07/64/29/346076429.db2.gz RHPWZRGTPMMHEW-KVPKETBZSA-N 0 0 158.197 1.273 10 0 in-vitro ADAERN C=Cc1nc(-c2cn[nH]c2)no1 307499358 346076457 /nfs/dbraw/zinc/07/64/57/346076457.db2.gz LKXGEBOBVXUGQL-UHFFFAOYSA-N 0 0 162.152 1.103 10 0 ADAERN CCNc1cc2c(nn1)[C@@H]1C[C@@H]1CC2 307499262 346076486 /nfs/dbraw/zinc/07/64/86/346076486.db2.gz LDBKIRZVTVKPSJ-IONNQARKSA-N 0 0 189.262 1.958 10 0 ADAERN CC(C)=C(F)C(=O)NCCF 307499405 346076520 /nfs/dbraw/zinc/07/65/20/346076520.db2.gz LTBXJWPGDVEOSK-UHFFFAOYSA-N 0 0 163.167 1.336 10 0 ADAERN C[C@H]1O[C@H]2CC[C@@H](C)O[C@@H]2O1 307499601 346076536 /nfs/dbraw/zinc/07/65/36/346076536.db2.gz RHPWZRGTPMMHEW-VGRMVHKJSA-N 0 0 158.197 1.273 10 0 in-vitro ADAERN OC[C@H]1C[C@@H]1Nc1cccc(F)n1 307500737 346077510 /nfs/dbraw/zinc/07/75/10/346077510.db2.gz ULIRXJGLSWSPGV-RQJHMYQMSA-N 0 0 182.198 1.013 10 0 ADAERN CC1(C)C[C@@H]1[C@]1(C)NC(=S)NC1=O 307499904 346076710 /nfs/dbraw/zinc/07/67/10/346076710.db2.gz LZHPBOICBUUBSN-CDUCUWFYSA-N 0 0 198.291 1.207 10 0 ADAERN Cc1ccc(N)c2c1C(=O)CO2 307500095 346076713 /nfs/dbraw/zinc/07/67/13/346076713.db2.gz RPZQQEILATWXRX-UHFFFAOYSA-N 0 0 163.176 1.152 10 0 ADAERN O=C([O-])[C@H]1CC[C@@H](c2ccns2)[NH2+]1 307500030 346076725 /nfs/dbraw/zinc/07/67/25/346076725.db2.gz MEANJPFBZRICKQ-NTSWFWBYSA-N 0 0 198.247 1.021 10 0 ADAERN C[C@H](C(=O)N1CCCO1)C(C)(C)C 307500037 346076745 /nfs/dbraw/zinc/07/67/45/346076745.db2.gz UBRLQXLIYYJJJV-MRVPVSSYSA-N 0 0 185.267 1.833 10 0 ADAERN CCCc1noc([C@H]2C[C@H](F)CN2)n1 307500501 346076753 /nfs/dbraw/zinc/07/67/53/346076753.db2.gz HRXVHSXZPDCPGO-NKWVEPMBSA-N 0 0 199.229 1.395 10 0 ADAERN CC1(C)C[C@H]1[C@@]1(C)NC(=S)NC1=O 307499912 346076763 /nfs/dbraw/zinc/07/67/63/346076763.db2.gz LZHPBOICBUUBSN-MLUIRONXSA-N 0 0 198.291 1.207 10 0 ADAERN CCNC(=S)N[C@H](C)C(F)F 307499981 346076784 /nfs/dbraw/zinc/07/67/84/346076784.db2.gz HMYMATQJMZWIMS-SCSAIBSYSA-N 0 0 182.239 1.124 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](c2ccns2)[NH2+]1 307500041 346076829 /nfs/dbraw/zinc/07/68/29/346076829.db2.gz MEANJPFBZRICKQ-WDSKDSINSA-N 0 0 198.247 1.021 10 0 ADAERN O=C1CCN(c2ncccc2Cl)C1 307500405 346076832 /nfs/dbraw/zinc/07/68/32/346076832.db2.gz SDMMUBJZOHQAFV-UHFFFAOYSA-N 0 0 196.637 1.514 10 0 ADAERN CCNC(=S)N[C@@H](C)C(F)F 307499977 346076920 /nfs/dbraw/zinc/07/69/20/346076920.db2.gz HMYMATQJMZWIMS-BYPYZUCNSA-N 0 0 182.239 1.124 10 0 ADAERN O=C([O-])[C@H]1CC[C@H](c2ccns2)[NH2+]1 307500034 346076957 /nfs/dbraw/zinc/07/69/57/346076957.db2.gz MEANJPFBZRICKQ-PHDIDXHHSA-N 0 0 198.247 1.021 10 0 ADAERN Cc1cnc(N[C@@H]2CC[C@H]2O)s1 307499861 346076960 /nfs/dbraw/zinc/07/69/60/346076960.db2.gz HJDTWNJWLYSUHH-RNFRBKRXSA-N 0 0 184.264 1.387 10 0 ADAERN Cc1nc(Cc2[nH]cnc2C)no1 307500216 346076962 /nfs/dbraw/zinc/07/69/62/346076962.db2.gz HQNAMSLACPHBHV-UHFFFAOYSA-N 0 0 178.195 1.000 10 0 ADAERN Nc1ccsc1C(=O)N1CC=CC1 307500690 346076971 /nfs/dbraw/zinc/07/69/71/346076971.db2.gz HWBLYHVHDFHTRH-UHFFFAOYSA-N 0 0 194.259 1.342 10 0 ADAERN COc1cc(F)cc(F)c1C(N)=O 307500324 346076997 /nfs/dbraw/zinc/07/69/97/346076997.db2.gz LWMIOLUIKAGEJM-UHFFFAOYSA-N 0 0 187.145 1.072 10 0 ADAERN CC1(C)C[C@@H]1[C@@]1(C)NC(=S)NC1=O 307499919 346077008 /nfs/dbraw/zinc/07/70/08/346077008.db2.gz LZHPBOICBUUBSN-SSDLBLMSSA-N 0 0 198.291 1.207 10 0 ADAERN CC1(C)C[C@H]1[C@]1(C)NC(=S)NC1=O 307499901 346077024 /nfs/dbraw/zinc/07/70/24/346077024.db2.gz LZHPBOICBUUBSN-ANLVUFKYSA-N 0 0 198.291 1.207 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H](c2ccns2)[NH2+]1 307500038 346077042 /nfs/dbraw/zinc/07/70/42/346077042.db2.gz MEANJPFBZRICKQ-RITPCOANSA-N 0 0 198.247 1.021 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@]12CS[C@H](C)C2 307500988 346077234 /nfs/dbraw/zinc/07/72/34/346077234.db2.gz MXGBWLXRWPJWCH-BDNRQGISSA-N 0 0 199.319 1.653 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@]12CS[C@H](C)C2 307500989 346077335 /nfs/dbraw/zinc/07/73/35/346077335.db2.gz MXGBWLXRWPJWCH-CHIQAWFVSA-N 0 0 199.319 1.653 10 0 ADAERN OC[C@H]1C[C@H]1Nc1cccc(F)n1 307500736 346077404 /nfs/dbraw/zinc/07/74/04/346077404.db2.gz ULIRXJGLSWSPGV-RNFRBKRXSA-N 0 0 182.198 1.013 10 0 ADAERN O=C1N[C@H](c2nccs2)C12CCC2 307501594 346077456 /nfs/dbraw/zinc/07/74/56/346077456.db2.gz NLOLLYFZSAFYIH-ZCFIWIBFSA-N 0 0 194.259 1.484 10 0 ADAERN CO[C@H]1CCCC[C@]1(O)c1ccc[nH]1 307501480 346077421 /nfs/dbraw/zinc/07/74/21/346077421.db2.gz USDCTDUKGDEXDV-QWRGUYRKSA-N 0 0 195.262 1.791 10 0 ADAERN NC(=O)[C@]1(O)CCCCC12CCCC2 307501620 346077427 /nfs/dbraw/zinc/07/74/27/346077427.db2.gz NMBUHZZIUTUYEG-LLVKDONJSA-N 0 0 197.278 1.337 10 0 ADAERN CO[C@H]1CCCC[C@@]1(O)c1ccc[nH]1 307501481 346077508 /nfs/dbraw/zinc/07/75/08/346077508.db2.gz USDCTDUKGDEXDV-WDEREUQCSA-N 0 0 195.262 1.791 10 0 ADAERN OC[C@@H]1C[C@@H]1Nc1cccc(F)n1 307500735 346077522 /nfs/dbraw/zinc/07/75/22/346077522.db2.gz ULIRXJGLSWSPGV-BQBZGAKWSA-N 0 0 182.198 1.013 10 0 ADAERN FC(F)CCNc1nncs1 307500802 346077529 /nfs/dbraw/zinc/07/75/29/346077529.db2.gz UQFWQNJUMLRWKJ-UHFFFAOYSA-N 0 0 179.195 1.605 10 0 ADAERN O=C1N[C@@H](c2nccs2)C12CCC2 307501589 346077546 /nfs/dbraw/zinc/07/75/46/346077546.db2.gz NLOLLYFZSAFYIH-LURJTMIESA-N 0 0 194.259 1.484 10 0 ADAERN CO[C@@H]1CCCC[C@@]1(O)c1ccc[nH]1 307501478 346077566 /nfs/dbraw/zinc/07/75/66/346077566.db2.gz USDCTDUKGDEXDV-GHMZBOCLSA-N 0 0 195.262 1.791 10 0 ADAERN C[C@@H]1C(=O)N[C@H](C)[C@]12CS[C@H](C)C2 307500990 346077574 /nfs/dbraw/zinc/07/75/74/346077574.db2.gz MXGBWLXRWPJWCH-FDDDBJFASA-N 0 0 199.319 1.653 10 0 ADAERN Cc1cocc1[C@@H](O)c1ncc[nH]1 307501650 346077721 /nfs/dbraw/zinc/07/77/21/346077721.db2.gz NOXYWSROVLTGDJ-MRVPVSSYSA-N 0 0 178.191 1.393 10 0 ADAERN OCCSc1cnc(Cl)cn1 307502262 346077749 /nfs/dbraw/zinc/07/77/49/346077749.db2.gz NZDCRKMCQBQHAV-UHFFFAOYSA-N 0 0 190.655 1.214 10 0 ADAERN Cc1cocc1[C@H](O)c1ncc[nH]1 307501652 346077852 /nfs/dbraw/zinc/07/78/52/346077852.db2.gz NOXYWSROVLTGDJ-QMMMGPOBSA-N 0 0 178.191 1.393 10 0 ADAERN CC[C@@](C)(O)C(=O)c1cnc(C)n1C 307502704 346077879 /nfs/dbraw/zinc/07/78/79/346077879.db2.gz OAUDCHAYWJHKCV-SNVBAGLBSA-N 0 0 196.250 1.072 10 0 ADAERN CCNc1cncc(N2CCC2)c1 307501968 346077889 /nfs/dbraw/zinc/07/78/89/346077889.db2.gz VLBZCYGZWLJCFH-UHFFFAOYSA-N 0 0 177.251 1.724 10 0 ADAERN CCNC(=S)Nc1ccc(=O)[nH]c1 307501958 346077910 /nfs/dbraw/zinc/07/79/10/346077910.db2.gz VKDRFUXPAMUUTL-UHFFFAOYSA-N 0 0 197.263 1.094 10 0 ADAERN NC(=O)[C@@]1(O)CCCCC12CCCC2 307501622 346077943 /nfs/dbraw/zinc/07/79/43/346077943.db2.gz NMBUHZZIUTUYEG-NSHDSACASA-N 0 0 197.278 1.337 10 0 ADAERN CC[C@](C)(O)C(=O)c1cnc(C)n1C 307502700 346077955 /nfs/dbraw/zinc/07/79/55/346077955.db2.gz OAUDCHAYWJHKCV-JTQLQIEISA-N 0 0 196.250 1.072 10 0 ADAERN O=C(c1cn[nH]c1)c1ccns1 307503535 346078418 /nfs/dbraw/zinc/07/84/18/346078418.db2.gz ORUJXSCLEUMFHZ-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN CC1(C)OCc2c(NC3CC3)n[nH]c21 307503077 346078495 /nfs/dbraw/zinc/07/84/95/346078495.db2.gz JKXRSXKHSQSMHH-UHFFFAOYSA-N 0 0 193.250 1.749 10 0 ADAERN Nc1ncc(CNc2c[nH]cn2)s1 307503402 346078499 /nfs/dbraw/zinc/07/84/99/346078499.db2.gz OJUMSDGVBCZCKB-UHFFFAOYSA-N 0 0 195.251 1.061 10 0 ADAERN COc1c(C)ccc(C(N)=O)c1C 307503266 346078528 /nfs/dbraw/zinc/07/85/28/346078528.db2.gz XAMLFDGOXXXCCA-UHFFFAOYSA-N 0 0 179.219 1.411 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)NCc1cscn1 307503928 346078801 /nfs/dbraw/zinc/07/88/01/346078801.db2.gz OYANYZXKAPWPTB-HTRCEHHLSA-N 0 0 196.275 1.415 10 0 ADAERN CNC1(c2nccs2)CSC1 307504118 346078903 /nfs/dbraw/zinc/07/89/03/346078903.db2.gz YHTWKOKBDISNRM-UHFFFAOYSA-N 0 0 186.305 1.305 10 0 ADAERN Cc1nc(NCCCF)cc(=O)[nH]1 307504033 346078986 /nfs/dbraw/zinc/07/89/86/346078986.db2.gz XSLDDFBHSGBIIO-UHFFFAOYSA-N 0 0 185.202 1.262 10 0 ADAERN FCCNc1cccc2nccn12 307503947 346079038 /nfs/dbraw/zinc/07/90/38/346079038.db2.gz OYZVRDLKZZNKGV-UHFFFAOYSA-N 0 0 179.198 1.716 10 0 ADAERN C[C@@H]1CCCCN1C1=NC(=O)CS1 307505355 346079373 /nfs/dbraw/zinc/07/93/73/346079373.db2.gz QJIALHZAQBRRCA-SSDOTTSWSA-N 0 0 198.291 1.490 10 0 ADAERN C[C@H]1CCCCN1C1=NC(=O)CS1 307505357 346079409 /nfs/dbraw/zinc/07/94/09/346079409.db2.gz QJIALHZAQBRRCA-ZETCQYMHSA-N 0 0 198.291 1.490 10 0 ADAERN Nc1ccc(Cl)c(F)c1O 307505460 346079444 /nfs/dbraw/zinc/07/94/44/346079444.db2.gz ZXAHTFWRRBOYMN-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN CCNC(=S)N(C)C(C)(C)C 307505257 346079517 /nfs/dbraw/zinc/07/95/17/346079517.db2.gz XEEJHMGHSTYOMK-UHFFFAOYSA-N 0 0 174.313 1.611 10 0 ADAERN Cc1ncc(NC(=O)C2COC2)s1 307505214 346079542 /nfs/dbraw/zinc/07/95/42/346079542.db2.gz XCXKBJDIPCYOCC-UHFFFAOYSA-N 0 0 198.247 1.036 10 0 ADAERN Clc1snnc1CNC1CC1 307505314 346079544 /nfs/dbraw/zinc/07/95/44/346079544.db2.gz XGPRVMGJPJHHIU-UHFFFAOYSA-N 0 0 189.671 1.444 10 0 ADAERN CSc1cc(C(C)(C)[NH3+])ncn1 307504829 346079564 /nfs/dbraw/zinc/07/95/64/346079564.db2.gz PQERDJNPCFJHOZ-UHFFFAOYSA-N 0 0 183.280 1.392 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N1CC(C)(C)C1 307506300 346079744 /nfs/dbraw/zinc/07/97/44/346079744.db2.gz LQBRRWDOXOBUNM-HTQZYQBOSA-N 0 0 182.267 1.446 10 0 ADAERN CC(=O)c1ccc(N[S@@](C)=O)cc1 307505999 346079816 /nfs/dbraw/zinc/07/98/16/346079816.db2.gz XZBLJAKGKFLXJD-CYBMUJFWSA-N 0 0 197.259 1.595 10 0 ADAERN CC(=O)c1ccc(N[S@](C)=O)cc1 307506000 346080001 /nfs/dbraw/zinc/08/00/01/346080001.db2.gz XZBLJAKGKFLXJD-ZDUSSCGKSA-N 0 0 197.259 1.595 10 0 ADAERN N[C@H](c1cscn1)c1csnn1 307505985 346080050 /nfs/dbraw/zinc/08/00/50/346080050.db2.gz XVKVFVRCFHIWLU-ZCFIWIBFSA-N 0 0 198.276 1.043 10 0 ADAERN O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)C(F)F 307505703 346080060 /nfs/dbraw/zinc/08/00/60/346080060.db2.gz QGZHQNTXGOGBQR-FPFOFBBKSA-N 0 0 175.178 1.166 10 0 ADAERN O=c1ncc(F)c(C2=CCCC2)[nH]1 307505929 346080062 /nfs/dbraw/zinc/08/00/62/346080062.db2.gz QYSVKCSBXBRCHY-UHFFFAOYSA-N 0 0 180.182 1.889 10 0 ADAERN Clc1cc2c(nn1)[C@H]1C[C@H]1C2 307506682 346080316 /nfs/dbraw/zinc/08/03/16/346080316.db2.gz RJCGBKOOQSQBBC-XINAWCOVSA-N 0 0 166.611 1.790 10 0 ADAERN COC1CN(c2cccc(C)c2N)C1 307506887 346080377 /nfs/dbraw/zinc/08/03/77/346080377.db2.gz RODXUPLJBQYTLW-UHFFFAOYSA-N 0 0 192.262 1.412 10 0 ADAERN Clc1cc2c(nn1)[C@@H]1C[C@@H]1C2 307506681 346080500 /nfs/dbraw/zinc/08/05/00/346080500.db2.gz RJCGBKOOQSQBBC-UJURSFKZSA-N 0 0 166.611 1.790 10 0 ADAERN O=C1NCCN1[C@H]1CC12CCCC2 307506854 346080514 /nfs/dbraw/zinc/08/05/14/346080514.db2.gz YWZLCZJUSJLEDU-QMMMGPOBSA-N 0 0 180.251 1.344 10 0 ADAERN O=C1NCCN1[C@@H]1CC12CCCC2 307506853 346080526 /nfs/dbraw/zinc/08/05/26/346080526.db2.gz YWZLCZJUSJLEDU-MRVPVSSYSA-N 0 0 180.251 1.344 10 0 ADAERN CCN1C(=S)N=NC1C(C)(C)F 307507879 346080786 /nfs/dbraw/zinc/08/07/86/346080786.db2.gz AAZDYZWXTZAGPR-UHFFFAOYSA-N 0 0 189.259 1.791 10 0 ADAERN C[C@@H]1CN[C@@H](c2nccn2C)SC1 307507917 346080845 /nfs/dbraw/zinc/08/08/45/346080845.db2.gz NGNBOOVAYJQSOM-VXNVDRBHSA-N 0 0 197.307 1.391 10 0 ADAERN C[C@H]1CN[C@H](c2nccn2C)SC1 307507897 346080881 /nfs/dbraw/zinc/08/08/81/346080881.db2.gz NGNBOOVAYJQSOM-CBAPKCEASA-N 0 0 197.307 1.391 10 0 ADAERN CC/C=C/CNc1nncs1 307507844 346080915 /nfs/dbraw/zinc/08/09/15/346080915.db2.gz ZYSDPRZHPWYNGF-ONEGZZNKSA-N 0 0 169.253 1.916 10 0 ADAERN CNC(=O)N1CCC[C@H](SC)C1 307507427 346081029 /nfs/dbraw/zinc/08/10/29/346081029.db2.gz MTWYOQKOXMSNJY-ZETCQYMHSA-N 0 0 188.296 1.153 10 0 ADAERN C=CC(=O)N[C@@H]1CCC(F)(F)C1 307508320 346081283 /nfs/dbraw/zinc/08/12/83/346081283.db2.gz AGYXYPNQSBQLBC-ZCFIWIBFSA-N 0 0 175.178 1.476 10 0 ADAERN Cc1scc(-c2nc(N)n[nH]2)c1C 307508280 346081288 /nfs/dbraw/zinc/08/12/88/346081288.db2.gz RRLZUHGBBRPKCN-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN CCC(=O)Nc1c[nH]nc1C 307508426 346081324 /nfs/dbraw/zinc/08/13/24/346081324.db2.gz NJBWNTXTGVKRML-UHFFFAOYSA-N 0 0 153.185 1.067 10 0 ADAERN CC(C)=CC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 307508793 346081338 /nfs/dbraw/zinc/08/13/38/346081338.db2.gz BEVGFVBAXRBEEL-ILWJIGKKSA-N 0 0 179.263 1.867 10 0 ADAERN c1nc(NC2CCC2)c[nH]1 307508261 346081343 /nfs/dbraw/zinc/08/13/43/346081343.db2.gz AFHWOUDWSSCPKU-UHFFFAOYSA-N 0 0 137.186 1.374 10 0 ADAERN C=CC(=O)N[C@H]1CCC(F)(F)C1 307508319 346081377 /nfs/dbraw/zinc/08/13/77/346081377.db2.gz AGYXYPNQSBQLBC-LURJTMIESA-N 0 0 175.178 1.476 10 0 ADAERN COc1cncc(N[C@@H]2C[C@@H]2C)n1 307508245 346081408 /nfs/dbraw/zinc/08/14/08/346081408.db2.gz RNCZRKQIELZCHY-NKWVEPMBSA-N 0 0 179.223 1.306 10 0 ADAERN COc1cncc(N[C@H]2C[C@H]2C)n1 307508246 346081424 /nfs/dbraw/zinc/08/14/24/346081424.db2.gz RNCZRKQIELZCHY-RQJHMYQMSA-N 0 0 179.223 1.306 10 0 ADAERN COc1cncc(N[C@H]2C[C@@H]2C)n1 307508242 346081428 /nfs/dbraw/zinc/08/14/28/346081428.db2.gz RNCZRKQIELZCHY-BQBZGAKWSA-N 0 0 179.223 1.306 10 0 ADAERN CC1(CC2N=NC(=S)N2)CC1 307508248 346081489 /nfs/dbraw/zinc/08/14/89/346081489.db2.gz RNEVNDYEHDRUSH-UHFFFAOYSA-N 0 0 169.253 1.436 10 0 ADAERN CC[C@H]1CCCN1C1=NC(=O)CS1 307508214 346081492 /nfs/dbraw/zinc/08/14/92/346081492.db2.gz RLVKHCGOPGYIDT-ZETCQYMHSA-N 0 0 198.291 1.490 10 0 ADAERN CC[C@@H]1CCCN1C1=NC(=O)CS1 307508209 346081530 /nfs/dbraw/zinc/08/15/30/346081530.db2.gz RLVKHCGOPGYIDT-SSDOTTSWSA-N 0 0 198.291 1.490 10 0 ADAERN CN(C)[C@H]1CCCN[C@H]1C(F)(F)F 307508184 346081534 /nfs/dbraw/zinc/08/15/34/346081534.db2.gz BTSBNPAFNNPMHG-NKWVEPMBSA-N 0 0 196.216 1.231 10 0 ADAERN CNc1ncnc(N2CCC2)c1C 307509841 346081800 /nfs/dbraw/zinc/08/18/00/346081800.db2.gz VNPJMQDEXQYLJO-UHFFFAOYSA-N 0 0 178.239 1.037 10 0 ADAERN Cc1cc(Cn2ccc(Cl)n2)on1 307510074 346081875 /nfs/dbraw/zinc/08/18/75/346081875.db2.gz KEQYENCJVDTIIN-UHFFFAOYSA-N 0 0 197.625 1.881 10 0 ADAERN CC(C)n1cc(Cl)nc1N 307509710 346081882 /nfs/dbraw/zinc/08/18/82/346081882.db2.gz BJGFANSUWZGYEU-UHFFFAOYSA-N 0 0 159.620 1.700 10 0 ADAERN O=C(Nc1cnoc1)[C@@H]1CCCS1 307510093 346081888 /nfs/dbraw/zinc/08/18/88/346081888.db2.gz ODDRVCDYRYRAEB-ZETCQYMHSA-N 0 0 198.247 1.509 10 0 ADAERN Cc1ccnc(N2CCC(=O)C2)c1 307509830 346081949 /nfs/dbraw/zinc/08/19/49/346081949.db2.gz VLEMXIWCAJYBOX-UHFFFAOYSA-N 0 0 176.219 1.169 10 0 ADAERN Cc1cnn(CC2CCC(O)CC2)c1 307508999 346081980 /nfs/dbraw/zinc/08/19/80/346081980.db2.gz BXVLVDGDAXATDO-UHFFFAOYSA-N 0 0 194.278 1.743 10 0 ADAERN O=C(Nc1cnoc1)[C@H]1CCCS1 307510089 346082002 /nfs/dbraw/zinc/08/20/02/346082002.db2.gz ODDRVCDYRYRAEB-SSDOTTSWSA-N 0 0 198.247 1.509 10 0 ADAERN CC1CC(NC(=O)c2cnoc2)C1 307510138 346082015 /nfs/dbraw/zinc/08/20/15/346082015.db2.gz CKXDNYCWJBEKMN-UHFFFAOYSA-N 0 0 180.207 1.203 10 0 ADAERN FCCNc1cncc(Cl)n1 307510102 346082019 /nfs/dbraw/zinc/08/20/19/346082019.db2.gz CJMUFMDPXDCNMT-UHFFFAOYSA-N 0 0 175.594 1.511 10 0 ADAERN CNC(=S)NCc1cc(C)oc1C 307509458 346082055 /nfs/dbraw/zinc/08/20/55/346082055.db2.gz JRAZAMRRICJEEV-UHFFFAOYSA-N 0 0 198.291 1.490 10 0 ADAERN O=C(CN1CCC1)C1CCC1 307509372 346082083 /nfs/dbraw/zinc/08/20/83/346082083.db2.gz CDNAFQZATHCDBJ-UHFFFAOYSA-N 0 0 153.225 1.061 10 0 ADAERN CC[C@H]1CCCN1c1ncc[nH]1 307510324 346082378 /nfs/dbraw/zinc/08/23/78/346082378.db2.gz OHZVQEXLYRUYAO-QMMMGPOBSA-N 0 0 165.240 1.789 10 0 ADAERN CC[C@@H]1CCCN1c1ncc[nH]1 307510319 346082335 /nfs/dbraw/zinc/08/23/35/346082335.db2.gz OHZVQEXLYRUYAO-MRVPVSSYSA-N 0 0 165.240 1.789 10 0 ADAERN Nc1ncccc1Cc1cscn1 307510374 346082347 /nfs/dbraw/zinc/08/23/47/346082347.db2.gz OKRJDFNZBCQSLY-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN C[C@]1(C(=O)c2ccns2)CCCO1 307510795 346082399 /nfs/dbraw/zinc/08/23/99/346082399.db2.gz CTBSYVZQYDVWDY-SECBINFHSA-N 0 0 197.259 1.895 10 0 ADAERN CC(C)(C)NC(=O)[C@]1(C)C[C@@H]1F 307510500 346082455 /nfs/dbraw/zinc/08/24/55/346082455.db2.gz VWRFMULJONHWPO-IMTBSYHQSA-N 0 0 173.231 1.649 10 0 ADAERN CC(C)(C)NC(=O)[C@@]1(C)C[C@H]1F 307510501 346082459 /nfs/dbraw/zinc/08/24/59/346082459.db2.gz VWRFMULJONHWPO-MUWHJKNJSA-N 0 0 173.231 1.649 10 0 ADAERN CC(C)(C)NC(=O)[C@]1(C)C[C@H]1F 307510499 346082509 /nfs/dbraw/zinc/08/25/09/346082509.db2.gz VWRFMULJONHWPO-HZGVNTEJSA-N 0 0 173.231 1.649 10 0 ADAERN CC(C)(C)NC(=O)[C@@]1(C)C[C@@H]1F 307510502 346082570 /nfs/dbraw/zinc/08/25/70/346082570.db2.gz VWRFMULJONHWPO-RCOVLWMOSA-N 0 0 173.231 1.649 10 0 ADAERN C[C@@]1(C(=O)c2ccns2)CCCO1 307510798 346082578 /nfs/dbraw/zinc/08/25/78/346082578.db2.gz CTBSYVZQYDVWDY-VIFPVBQESA-N 0 0 197.259 1.895 10 0 ADAERN CC1(C)CC(NC(=S)NC2CC2)C1 307510355 346082606 /nfs/dbraw/zinc/08/26/06/346082606.db2.gz OJZMNLMINPSRKA-UHFFFAOYSA-N 0 0 198.335 1.802 10 0 ADAERN Cc1nnc(Sc2ncc[nH]2)s1 307511326 346082976 /nfs/dbraw/zinc/08/29/76/346082976.db2.gz LHXNDFABABXWEY-UHFFFAOYSA-N 0 0 198.276 1.721 10 0 ADAERN C[C@H]1C[C@H](NC2CCCC2)C(=O)O1 307511607 346083095 /nfs/dbraw/zinc/08/30/95/346083095.db2.gz CGMRTLPKRJBPSE-CBAPKCEASA-N 0 0 183.251 1.223 10 0 ADAERN C[C@@H]1C[C@H](NC2CCCC2)C(=O)O1 307511604 346083126 /nfs/dbraw/zinc/08/31/26/346083126.db2.gz CGMRTLPKRJBPSE-APPZFPTMSA-N 0 0 183.251 1.223 10 0 ADAERN CC1(CNC(=O)N2CCCO2)CC1 307511565 346083149 /nfs/dbraw/zinc/08/31/49/346083149.db2.gz DFOPLYGWUCFKLI-UHFFFAOYSA-N 0 0 184.239 1.133 10 0 ADAERN CN(C)C(=O)Nc1ccnc(Cl)c1 307511847 346083389 /nfs/dbraw/zinc/08/33/89/346083389.db2.gz DQUIQRJPOYLOMB-UHFFFAOYSA-N 0 0 199.641 1.829 10 0 ADAERN Cn1cnnc1-c1sccc1F 307511902 346083427 /nfs/dbraw/zinc/08/34/27/346083427.db2.gz LXPHTOPFLPPTON-UHFFFAOYSA-N 0 0 183.211 1.683 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)[C@H](C)CO1 307512026 346083429 /nfs/dbraw/zinc/08/34/29/346083429.db2.gz PHZIPJSPDSDDKP-SFYZADRCSA-N 0 0 181.239 1.023 10 0 ADAERN CC[C@H]1CNc2cc(F)cnc2N1C 307512211 346083444 /nfs/dbraw/zinc/08/34/44/346083444.db2.gz XSFLYSZTIXQWIB-QMMMGPOBSA-N 0 0 195.241 1.861 10 0 ADAERN C[C@@H]1CN(c2ncc[nH]2)[C@H](C)CO1 307512021 346083459 /nfs/dbraw/zinc/08/34/59/346083459.db2.gz PHZIPJSPDSDDKP-HTQZYQBOSA-N 0 0 181.239 1.023 10 0 ADAERN CCNc1ncc(C)c(CC)n1 307512137 346083512 /nfs/dbraw/zinc/08/35/12/346083512.db2.gz CMLBNJOSLIVTBC-UHFFFAOYSA-N 0 0 165.240 1.779 10 0 ADAERN C[C@@]1(c2nc(CO)n[nH]2)CCCS1 307512304 346083546 /nfs/dbraw/zinc/08/35/46/346083546.db2.gz XUNJFTCIXKDVAJ-QMMMGPOBSA-N 0 0 199.279 1.039 10 0 ADAERN C[C@]1(c2nc(CO)n[nH]2)CCCS1 307512298 346083567 /nfs/dbraw/zinc/08/35/67/346083567.db2.gz XUNJFTCIXKDVAJ-MRVPVSSYSA-N 0 0 199.279 1.039 10 0 ADAERN O=C1N[C@@H](c2ccsc2)[C@@H]1C1CC1 307511937 346083604 /nfs/dbraw/zinc/08/36/04/346083604.db2.gz CHMYWIZOPDQZAO-IUCAKERBSA-N 0 0 193.271 1.945 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCOC1(C)C 307511792 346083607 /nfs/dbraw/zinc/08/36/07/346083607.db2.gz DMTVLQLIQBKDKG-ZJELKQJVSA-N 0 0 183.251 1.246 10 0 ADAERN O=C1N[C@H](c2ccsc2)[C@@H]1C1CC1 307511936 346083611 /nfs/dbraw/zinc/08/36/11/346083611.db2.gz CHMYWIZOPDQZAO-DTWKUNHWSA-N 0 0 193.271 1.945 10 0 ADAERN O=C1N[C@H](c2ccsc2)[C@H]1C1CC1 307511938 346083637 /nfs/dbraw/zinc/08/36/37/346083637.db2.gz CHMYWIZOPDQZAO-RKDXNWHRSA-N 0 0 193.271 1.945 10 0 ADAERN O=C1N[C@@H](c2ccsc2)[C@H]1C1CC1 307511935 346083641 /nfs/dbraw/zinc/08/36/41/346083641.db2.gz CHMYWIZOPDQZAO-BDAKNGLRSA-N 0 0 193.271 1.945 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CCOC1(C)C 307511783 346083668 /nfs/dbraw/zinc/08/36/68/346083668.db2.gz DMTVLQLIQBKDKG-WTSVBCDHSA-N 0 0 183.251 1.246 10 0 ADAERN C[C@H]1CO[C@H](C)CN1c1ncc[nH]1 307512024 346083674 /nfs/dbraw/zinc/08/36/74/346083674.db2.gz PHZIPJSPDSDDKP-JGVFFNPUSA-N 0 0 181.239 1.023 10 0 ADAERN Cc1c[nH]cc1C(=O)N1CC[C@H]1C 307513276 346083932 /nfs/dbraw/zinc/08/39/32/346083932.db2.gz FNCLUTKJBWICPN-MRVPVSSYSA-N 0 0 178.235 1.558 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)NC1CC=CC1 307513414 346083997 /nfs/dbraw/zinc/08/39/97/346083997.db2.gz FTBXAPSBMVKBOG-IONNQARKSA-N 0 0 180.251 1.413 10 0 ADAERN CC(C)CN(C)c1cccnn1 307513002 346084000 /nfs/dbraw/zinc/08/40/00/346084000.db2.gz NCPHKGMHDOIHHC-UHFFFAOYSA-N 0 0 165.240 1.569 10 0 ADAERN Cn1ncc([C@@H](O)CC(C)(C)C)n1 307513625 346084011 /nfs/dbraw/zinc/08/40/11/346084011.db2.gz QPRHOPIIBKKFOS-QMMMGPOBSA-N 0 0 183.255 1.285 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Nc1cnoc1 307513440 346084111 /nfs/dbraw/zinc/08/41/11/346084111.db2.gz FVZNTQMAPSZEKL-VDTYLAMSSA-N 0 0 166.180 1.269 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Nc1cnoc1 307513439 346084149 /nfs/dbraw/zinc/08/41/49/346084149.db2.gz FVZNTQMAPSZEKL-CAHLUQPWSA-N 0 0 166.180 1.269 10 0 ADAERN Cn1ncc([C@H](O)CC(C)(C)C)n1 307513624 346084225 /nfs/dbraw/zinc/08/42/25/346084225.db2.gz QPRHOPIIBKKFOS-MRVPVSSYSA-N 0 0 183.255 1.285 10 0 ADAERN CC1(C)C(=O)N[C@@H]1c1nccs1 307512666 346084243 /nfs/dbraw/zinc/08/42/43/346084243.db2.gz YCIVNRIPFJSLQX-RXMQYKEDSA-N 0 0 182.248 1.340 10 0 ADAERN Cc1c[nH]cc1C(=O)N1CC[C@@H]1C 307513279 346084256 /nfs/dbraw/zinc/08/42/56/346084256.db2.gz FNCLUTKJBWICPN-QMMMGPOBSA-N 0 0 178.235 1.558 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)NC1CC=CC1 307513410 346084260 /nfs/dbraw/zinc/08/42/60/346084260.db2.gz FTBXAPSBMVKBOG-APPZFPTMSA-N 0 0 180.251 1.413 10 0 ADAERN CC1(C)C(=O)N[C@H]1c1nccs1 307512669 346084275 /nfs/dbraw/zinc/08/42/75/346084275.db2.gz YCIVNRIPFJSLQX-YFKPBYRVSA-N 0 0 182.248 1.340 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)NC1CC=CC1 307513412 346084277 /nfs/dbraw/zinc/08/42/77/346084277.db2.gz FTBXAPSBMVKBOG-CBAPKCEASA-N 0 0 180.251 1.413 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC12CCC2 307514322 346084529 /nfs/dbraw/zinc/08/45/29/346084529.db2.gz GKUJGKRNDFFEQQ-VGMNWLOBSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CC12CCC2 307514318 346084531 /nfs/dbraw/zinc/08/45/31/346084531.db2.gz GKUJGKRNDFFEQQ-HLTSFMKQSA-N 0 0 179.263 1.701 10 0 ADAERN CNC(=O)/C=C/c1ccc(Cl)o1 307514038 346084573 /nfs/dbraw/zinc/08/45/73/346084573.db2.gz OFUPJORBDDHMIZ-HWKANZROSA-N 0 0 185.610 1.692 10 0 ADAERN Cc1cc(-c2nc(N)no2)cs1 307514265 346084591 /nfs/dbraw/zinc/08/45/91/346084591.db2.gz RIDSVTNQYLXMKZ-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1cc[nH]c1C(=O)N1CCSC1 307514411 346084607 /nfs/dbraw/zinc/08/46/07/346084607.db2.gz OKUAOUNVVZXVAI-UHFFFAOYSA-N 0 0 196.275 1.470 10 0 ADAERN CO[C@@H]1CCC[C@H]1C(N)=S 307514523 346084667 /nfs/dbraw/zinc/08/46/67/346084667.db2.gz CVRZVPWVNBUTQY-PHDIDXHHSA-N 0 0 159.254 1.088 10 0 ADAERN CC1(C)C[C@H]1C(=O)NC1CCC1 307514083 346084672 /nfs/dbraw/zinc/08/46/72/346084672.db2.gz OIQHHYQYMFITAD-QMMMGPOBSA-N 0 0 167.252 1.701 10 0 ADAERN OCC1(Cc2csnn2)CCC1 307515176 346084997 /nfs/dbraw/zinc/08/49/97/346084997.db2.gz UKZNYNFXCSSACP-UHFFFAOYSA-N 0 0 184.264 1.243 10 0 ADAERN CNC(=O)[C@@H]1CC12CCCC2 307515179 346085052 /nfs/dbraw/zinc/08/50/52/346085052.db2.gz DSAJZOFHUBLQMC-ZETCQYMHSA-N 0 0 153.225 1.313 10 0 ADAERN CCc1nc(CC2CCC2)ncc1N 307514583 346085082 /nfs/dbraw/zinc/08/50/82/346085082.db2.gz MFFVXVQZTRGRKF-UHFFFAOYSA-N 0 0 191.278 1.964 10 0 ADAERN Cc1ncc([C@@H]2OCC[C@H]2CO)s1 307514621 346085116 /nfs/dbraw/zinc/08/51/16/346085116.db2.gz DDLRNIPJRSHDAY-IONNQARKSA-N 0 0 199.275 1.521 10 0 ADAERN Cc1ncc([C@H]2OCC[C@H]2CO)s1 307514620 346085135 /nfs/dbraw/zinc/08/51/35/346085135.db2.gz DDLRNIPJRSHDAY-CBAPKCEASA-N 0 0 199.275 1.521 10 0 ADAERN COc1nc([C@H](O)C2(C)CC2)cs1 307514705 346085141 /nfs/dbraw/zinc/08/51/41/346085141.db2.gz ROZCWXMDENONML-ZETCQYMHSA-N 0 0 199.275 1.985 10 0 ADAERN C[C@]1([C@@H]([NH3+])c2cncnc2)C[C@H]1F 307515173 346085143 /nfs/dbraw/zinc/08/51/43/346085143.db2.gz GQUSJXOWCRCOIY-VGMNWLOBSA-N 0 0 181.214 1.225 10 0 ADAERN Cc1ncc([C@@H]2OCC[C@@H]2CO)s1 307514623 346085147 /nfs/dbraw/zinc/08/51/47/346085147.db2.gz DDLRNIPJRSHDAY-VXNVDRBHSA-N 0 0 199.275 1.521 10 0 ADAERN CC(C)Nn1ncc2ccc(O)cc21 307514714 346085177 /nfs/dbraw/zinc/08/51/77/346085177.db2.gz RRDGKMXZQYTNDE-UHFFFAOYSA-N 0 0 191.234 1.694 10 0 ADAERN Cc1ncc([C@H]2OCC[C@@H]2CO)s1 307514617 346085179 /nfs/dbraw/zinc/08/51/79/346085179.db2.gz DDLRNIPJRSHDAY-APPZFPTMSA-N 0 0 199.275 1.521 10 0 ADAERN COc1nc([C@@H](O)C2(C)CC2)cs1 307514704 346085189 /nfs/dbraw/zinc/08/51/89/346085189.db2.gz ROZCWXMDENONML-SSDOTTSWSA-N 0 0 199.275 1.985 10 0 ADAERN O=[S@](Nc1ncc[nH]1)C1CCCC1 307515457 346085486 /nfs/dbraw/zinc/08/54/86/346085486.db2.gz SCRHAVDCRMAJRD-ZDUSSCGKSA-N 0 0 199.279 1.428 10 0 ADAERN O=[S@@](Nc1ncc[nH]1)C1CCCC1 307515454 346085520 /nfs/dbraw/zinc/08/55/20/346085520.db2.gz SCRHAVDCRMAJRD-CYBMUJFWSA-N 0 0 199.279 1.428 10 0 ADAERN c1nsc(NCc2csnn2)n1 307515791 346085660 /nfs/dbraw/zinc/08/56/60/346085660.db2.gz UTHHFDQBQLYZTE-UHFFFAOYSA-N 0 0 199.264 1.002 10 0 ADAERN N#CNC(=O)c1sccc1F 307515227 346085662 /nfs/dbraw/zinc/08/56/62/346085662.db2.gz FAFMWYQXFPPYQT-UHFFFAOYSA-N 0 0 170.168 1.098 10 0 ADAERN CC[C@@H]1CCC[C@@]1(O)c1cn(C)cn1 307515434 346085729 /nfs/dbraw/zinc/08/57/29/346085729.db2.gz MSILLQBFUOOZHG-KOLCDFICSA-N 0 0 194.278 1.818 10 0 ADAERN Cc1cnn(CCn2ccnc2)c1 307515203 346085762 /nfs/dbraw/zinc/08/57/62/346085762.db2.gz DYFCOYIQCPROOC-UHFFFAOYSA-N 0 0 176.223 1.088 10 0 ADAERN CC[C@@H]1CCC[C@]1(O)c1cn(C)cn1 307515436 346085773 /nfs/dbraw/zinc/08/57/73/346085773.db2.gz MSILLQBFUOOZHG-MWLCHTKSSA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@H]1CCC[C@]1(O)c1cn(C)cn1 307515432 346085805 /nfs/dbraw/zinc/08/58/05/346085805.db2.gz MSILLQBFUOOZHG-GXSJLCMTSA-N 0 0 194.278 1.818 10 0 ADAERN CC[C@H]1CCC[C@@]1(O)c1cn(C)cn1 307515437 346085811 /nfs/dbraw/zinc/08/58/11/346085811.db2.gz MSILLQBFUOOZHG-ONGXEEELSA-N 0 0 194.278 1.818 10 0 ADAERN O=c1[nH]cncc1-c1cscn1 307515322 346085842 /nfs/dbraw/zinc/08/58/42/346085842.db2.gz RXYVATLSUVAPJR-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cn1ccnc1Sc1cn[nH]c1 307515634 346085899 /nfs/dbraw/zinc/08/58/99/346085899.db2.gz FJPLUDPURQUETH-UHFFFAOYSA-N 0 0 180.236 1.294 10 0 ADAERN NC(=O)N1C[C@H]2CCCCC[C@H]21 307516652 346086148 /nfs/dbraw/zinc/08/61/48/346086148.db2.gz HICPCOFRAVZIED-HTQZYQBOSA-N 0 0 168.240 1.330 10 0 ADAERN O=C(N[C@@H]1CCCC1(F)F)C1CC1 307516444 346086121 /nfs/dbraw/zinc/08/61/21/346086121.db2.gz VSTVMHHVZXKFAX-SSDOTTSWSA-N 0 0 189.205 1.700 10 0 ADAERN Cc1cnccc1C1N=NC(=S)O1 307516427 346086180 /nfs/dbraw/zinc/08/61/80/346086180.db2.gz VQBIJOKOAGOHAQ-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN CC(=O)[C@@H](C)[C@H]1CCCO1 307516633 346086263 /nfs/dbraw/zinc/08/62/63/346086263.db2.gz HEHPRNYNJWFYSJ-HTRCEHHLSA-N 0 0 142.198 1.391 10 0 ADAERN NC(=O)N1C[C@H]2CCCCC[C@@H]21 307516654 346086272 /nfs/dbraw/zinc/08/62/72/346086272.db2.gz HICPCOFRAVZIED-SFYZADRCSA-N 0 0 168.240 1.330 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)c1cn[nH]c1 307516116 346086318 /nfs/dbraw/zinc/08/63/18/346086318.db2.gz HAPYZCQZVQGRLN-KNVOCYPGSA-N 0 0 179.223 1.033 10 0 ADAERN O=C(N[C@H]1CCCC1(F)F)C1CC1 307516445 346086297 /nfs/dbraw/zinc/08/62/97/346086297.db2.gz VSTVMHHVZXKFAX-ZETCQYMHSA-N 0 0 189.205 1.700 10 0 ADAERN NC(=O)N1C[C@@H]2CCCCC[C@H]21 307516653 346086327 /nfs/dbraw/zinc/08/63/27/346086327.db2.gz HICPCOFRAVZIED-JGVFFNPUSA-N 0 0 168.240 1.330 10 0 ADAERN CC(=O)[C@@H](C)[C@@H]1CCCO1 307516637 346086356 /nfs/dbraw/zinc/08/63/56/346086356.db2.gz HEHPRNYNJWFYSJ-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN NC(=O)N1C[C@@H]2CCCCC[C@@H]21 307516655 346086375 /nfs/dbraw/zinc/08/63/75/346086375.db2.gz HICPCOFRAVZIED-YUMQZZPRSA-N 0 0 168.240 1.330 10 0 ADAERN C[C@@H]1CCN1C(=O)Nc1cn[nH]c1 307517073 346086663 /nfs/dbraw/zinc/08/66/63/346086663.db2.gz WMFJQMVYBHMPFT-ZCFIWIBFSA-N 0 0 180.211 1.036 10 0 ADAERN C[C@H]1CCN1C(=O)Nc1cn[nH]c1 307517072 346086690 /nfs/dbraw/zinc/08/66/90/346086690.db2.gz WMFJQMVYBHMPFT-LURJTMIESA-N 0 0 180.211 1.036 10 0 ADAERN O=C(c1ccsn1)c1cnsn1 307517237 346086795 /nfs/dbraw/zinc/08/67/95/346086795.db2.gz IRXLBCYJUOCDOG-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN CCC[N@@H+]1CCc2nc(C)[nH]c2C1 307517458 346086802 /nfs/dbraw/zinc/08/68/02/346086802.db2.gz JKJCESYTKKGCAF-UHFFFAOYSA-N 0 0 179.267 1.486 10 0 ADAERN CSCC(=O)Nc1c[nH]nc1C 307517353 346086816 /nfs/dbraw/zinc/08/68/16/346086816.db2.gz UAKRQNGLLMBJTL-UHFFFAOYSA-N 0 0 185.252 1.020 10 0 ADAERN CSCc1ccccc1NN 307516946 346086876 /nfs/dbraw/zinc/08/68/76/346086876.db2.gz IEIBPBNUXVGINX-UHFFFAOYSA-N 0 0 168.265 1.835 10 0 ADAERN O=C1N[C@@H](C2CCCC2)[C@H]1C1CC1 307517472 346087108 /nfs/dbraw/zinc/08/71/08/346087108.db2.gz UIFTXKBPFHPHOX-ZJUUUORDSA-N 0 0 179.263 1.701 10 0 ADAERN O=C1N[C@@H](C2CCCC2)[C@@H]1C1CC1 307517468 346087117 /nfs/dbraw/zinc/08/71/17/346087117.db2.gz UIFTXKBPFHPHOX-UWVGGRQHSA-N 0 0 179.263 1.701 10 0 ADAERN Cc1nc([C@H](N)c2ccsn2)co1 307517473 346087132 /nfs/dbraw/zinc/08/71/32/346087132.db2.gz JLORVQKKIYQUQY-MRVPVSSYSA-N 0 0 195.247 1.488 10 0 ADAERN O=C1N[C@H](C2CCCC2)[C@@H]1C1CC1 307517470 346087248 /nfs/dbraw/zinc/08/72/48/346087248.db2.gz UIFTXKBPFHPHOX-VHSXEESVSA-N 0 0 179.263 1.701 10 0 ADAERN CCn1cnc(C2=C[C@H](O)CC2)c1 307518295 346087299 /nfs/dbraw/zinc/08/72/99/346087299.db2.gz KWLVPQYMKWZWBK-SECBINFHSA-N 0 0 178.235 1.441 10 0 ADAERN O=C1N[C@H](C2CCCC2)[C@H]1C1CC1 307517466 346087328 /nfs/dbraw/zinc/08/73/28/346087328.db2.gz UIFTXKBPFHPHOX-NXEZZACHSA-N 0 0 179.263 1.701 10 0 ADAERN CCn1cnc(C2=C[C@@H](O)CC2)c1 307518297 346087518 /nfs/dbraw/zinc/08/75/18/346087518.db2.gz KWLVPQYMKWZWBK-VIFPVBQESA-N 0 0 178.235 1.441 10 0 ADAERN Fc1ccc(CN2CC(F)C2)cn1 307517877 346087523 /nfs/dbraw/zinc/08/75/23/346087523.db2.gz JWIPNJAHTYQDEB-UHFFFAOYSA-N 0 0 184.189 1.374 10 0 ADAERN NC(=O)N[C@@H]1CCCc2[nH]ccc21 307518822 346087642 /nfs/dbraw/zinc/08/76/42/346087642.db2.gz VOQDJRLMIDSDAN-MRVPVSSYSA-N 0 0 179.223 1.060 10 0 ADAERN CC(C)[C@]1(C)C[C@@H]1N1CCNC1=O 307519131 346087666 /nfs/dbraw/zinc/08/76/66/346087666.db2.gz ZYVUQEJSSWOKKJ-WPRPVWTQSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@H](c1cccc(O)c1)n1cnnc1 307518921 346087670 /nfs/dbraw/zinc/08/76/70/346087670.db2.gz ZPTPTCYPHCLIQM-MRVPVSSYSA-N 0 0 189.218 1.593 10 0 ADAERN Clc1ccnc(Cn2ccnc2)n1 307518715 346087695 /nfs/dbraw/zinc/08/76/95/346087695.db2.gz VLRZPBQNRSOWFV-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN O=C(N[C@H]1C=CCCC1)[C@@H]1CCO1 307518701 346087699 /nfs/dbraw/zinc/08/76/99/346087699.db2.gz LLZLUDZABFCEOH-IUCAKERBSA-N 0 0 181.235 1.000 10 0 ADAERN NC(=O)N[C@H]1CCCc2[nH]ccc21 307518826 346087745 /nfs/dbraw/zinc/08/77/45/346087745.db2.gz VOQDJRLMIDSDAN-QMMMGPOBSA-N 0 0 179.223 1.060 10 0 ADAERN C[C@@H]1CC[C@]12CC(=O)NC(=O)[C@@H]2C 307519112 346087765 /nfs/dbraw/zinc/08/77/65/346087765.db2.gz MEGLMZMDDUJKSU-FWWHASMVSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@@H]1CC[C@@]12CC(=O)NC(=O)[C@@H]2C 307519122 346087773 /nfs/dbraw/zinc/08/77/73/346087773.db2.gz MEGLMZMDDUJKSU-MATHAZKKSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@@](O)(c1ccoc1)c1ccc[nH]1 307518686 346087787 /nfs/dbraw/zinc/08/77/87/346087787.db2.gz LLTLKCDQKPMAPW-SNVBAGLBSA-N 0 0 177.203 1.864 10 0 ADAERN CC(C)[C@]1(C)C[C@H]1N1CCNC1=O 307519129 346087861 /nfs/dbraw/zinc/08/78/61/346087861.db2.gz ZYVUQEJSSWOKKJ-SCZZXKLOSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@@H](c1cccc(O)c1)n1cnnc1 307518922 346087927 /nfs/dbraw/zinc/08/79/27/346087927.db2.gz ZPTPTCYPHCLIQM-QMMMGPOBSA-N 0 0 189.218 1.593 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1N1CCNC1=O 307519130 346087949 /nfs/dbraw/zinc/08/79/49/346087949.db2.gz ZYVUQEJSSWOKKJ-WCBMZHEXSA-N 0 0 182.267 1.446 10 0 ADAERN CC(C)[C@@]1(C)C[C@H]1N1CCNC1=O 307519127 346087966 /nfs/dbraw/zinc/08/79/66/346087966.db2.gz ZYVUQEJSSWOKKJ-PSASIEDQSA-N 0 0 182.267 1.446 10 0 ADAERN O=C(N[C@@H]1C=CCCC1)[C@@H]1CCO1 307518697 346087968 /nfs/dbraw/zinc/08/79/68/346087968.db2.gz LLZLUDZABFCEOH-BDAKNGLRSA-N 0 0 181.235 1.000 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@@]12CC[C@H]2C 307519102 346087975 /nfs/dbraw/zinc/08/79/75/346087975.db2.gz MEGLMZMDDUJKSU-BRDIYROLSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@](O)(c1ccoc1)c1ccc[nH]1 307518684 346088019 /nfs/dbraw/zinc/08/80/19/346088019.db2.gz LLTLKCDQKPMAPW-JTQLQIEISA-N 0 0 177.203 1.864 10 0 ADAERN O=C(N[C@@H]1C=CCCC1)[C@H]1CCO1 307518702 346088026 /nfs/dbraw/zinc/08/80/26/346088026.db2.gz LLZLUDZABFCEOH-RKDXNWHRSA-N 0 0 181.235 1.000 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@]12CC[C@H]2C 307519133 346088028 /nfs/dbraw/zinc/08/80/28/346088028.db2.gz MEGLMZMDDUJKSU-XSSZXYGBSA-N 0 0 181.235 1.085 10 0 ADAERN O=C(N[C@H]1C=CCCC1)[C@H]1CCO1 307518699 346088045 /nfs/dbraw/zinc/08/80/45/346088045.db2.gz LLZLUDZABFCEOH-DTWKUNHWSA-N 0 0 181.235 1.000 10 0 ADAERN CC[C@@]1(C)C[NH2+][C@@H]1c1ccn(C)n1 307519531 346088152 /nfs/dbraw/zinc/08/81/52/346088152.db2.gz WKZBBRXZCQTUJX-ZJUUUORDSA-N 0 0 179.267 1.481 10 0 ADAERN CC[C@]1(C)C[NH2+][C@@H]1c1ccn(C)n1 307519524 346088171 /nfs/dbraw/zinc/08/81/71/346088171.db2.gz WKZBBRXZCQTUJX-NXEZZACHSA-N 0 0 179.267 1.481 10 0 ADAERN CC[C@]1(C)C[NH2+][C@H]1c1ccn(C)n1 307519529 346088317 /nfs/dbraw/zinc/08/83/17/346088317.db2.gz WKZBBRXZCQTUJX-VHSXEESVSA-N 0 0 179.267 1.481 10 0 ADAERN Cc1cc(C)n(Cc2cn[nH]c2)n1 307519496 346088324 /nfs/dbraw/zinc/08/83/24/346088324.db2.gz NBSXACSTAMPZKT-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN CC[C@@]1(C)C[NH2+][C@H]1c1ccn(C)n1 307519526 346088439 /nfs/dbraw/zinc/08/84/39/346088439.db2.gz WKZBBRXZCQTUJX-UWVGGRQHSA-N 0 0 179.267 1.481 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1[C@H]2CCC[C@H]21 307519972 346088446 /nfs/dbraw/zinc/08/84/46/346088446.db2.gz OYNJZILVCKVKMV-SPFKKGSWSA-N 0 0 179.263 1.557 10 0 ADAERN N=c1sccn1[C@H]1CCCC1=O 307519973 346088514 /nfs/dbraw/zinc/08/85/14/346088514.db2.gz WYJFLISPOPEAIT-LURJTMIESA-N 0 0 182.248 1.323 10 0 ADAERN Cn1cnc(-c2ncccc2N)c1 307519885 346088572 /nfs/dbraw/zinc/08/85/72/346088572.db2.gz ORHPGHMWPLIRBI-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Cc1cc(C2(O)CCC2)sn1 307520016 346088726 /nfs/dbraw/zinc/08/87/26/346088726.db2.gz PFOFHVJGFOQPKR-UHFFFAOYSA-N 0 0 169.249 1.823 10 0 ADAERN O=C1C[C@H](CC2CCCC2)N1 307520279 346088727 /nfs/dbraw/zinc/08/87/27/346088727.db2.gz XPEIYAMGQAEKKJ-QMMMGPOBSA-N 0 0 153.225 1.455 10 0 ADAERN N=c1sccn1[C@@H]1CCCC1=O 307519975 346088742 /nfs/dbraw/zinc/08/87/42/346088742.db2.gz WYJFLISPOPEAIT-ZCFIWIBFSA-N 0 0 182.248 1.323 10 0 ADAERN [NH3+][C@H](c1cn[nH]c1)c1ccoc1 307520433 346088752 /nfs/dbraw/zinc/08/87/52/346088752.db2.gz QHRXSLJMNWYCKK-QMMMGPOBSA-N 0 0 163.180 1.051 10 0 ADAERN C[C@@H](O)Cn1[n-]c(C(C)(C)C)cc1=O 307520491 346088770 /nfs/dbraw/zinc/08/87/70/346088770.db2.gz QVMBRGMTIUHCAF-SSDOTTSWSA-N 0 0 198.266 1.002 10 0 ADAERN Cc1ccc(N[C@@H](C)CO)c(F)c1 307520133 346088790 /nfs/dbraw/zinc/08/87/90/346088790.db2.gz PRBHSMQXUCPMCI-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN C[NH2+]Cc1cc(F)ccc1N1CCC1 307520454 346088795 /nfs/dbraw/zinc/08/87/95/346088795.db2.gz QMMBWCPBMWGDEE-UHFFFAOYSA-N 0 0 194.253 1.755 10 0 ADAERN C[C@H]1CC[C@@]1(O)c1cnc(N)s1 307520427 346088811 /nfs/dbraw/zinc/08/88/11/346088811.db2.gz QGOXJWUHNBUOMW-XNCJUZBTSA-N 0 0 184.264 1.343 10 0 ADAERN C[C@H]1CC[C@]1(O)c1cnc(N)s1 307520429 346088825 /nfs/dbraw/zinc/08/88/25/346088825.db2.gz QGOXJWUHNBUOMW-YLWLKBPMSA-N 0 0 184.264 1.343 10 0 ADAERN C[C@H](O)Cn1[n-]c(C(C)(C)C)cc1=O 307520492 346088840 /nfs/dbraw/zinc/08/88/40/346088840.db2.gz QVMBRGMTIUHCAF-ZETCQYMHSA-N 0 0 198.266 1.002 10 0 ADAERN C[C@@H]1CC[C@]1(O)c1cnc(N)s1 307520426 346088861 /nfs/dbraw/zinc/08/88/61/346088861.db2.gz QGOXJWUHNBUOMW-SVGQVSJJSA-N 0 0 184.264 1.343 10 0 ADAERN CC(C)C(=O)C[C@@H](C)CO 307520456 346088919 /nfs/dbraw/zinc/08/89/19/346088919.db2.gz QMZMLNPWYJQXGK-SSDOTTSWSA-N 0 0 144.214 1.230 10 0 ADAERN O=C1C[C@@H](CC2CCCC2)N1 307520278 346088929 /nfs/dbraw/zinc/08/89/29/346088929.db2.gz XPEIYAMGQAEKKJ-MRVPVSSYSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1[C@H]2CCC[C@H]21 307519976 346088939 /nfs/dbraw/zinc/08/89/39/346088939.db2.gz OYNJZILVCKVKMV-ZJDVBMNYSA-N 0 0 179.263 1.557 10 0 ADAERN C[C@@H]1CC[C@@]1(O)c1cnc(N)s1 307520428 346088952 /nfs/dbraw/zinc/08/89/52/346088952.db2.gz QGOXJWUHNBUOMW-XRGYYRRGSA-N 0 0 184.264 1.343 10 0 ADAERN CC(C)C(=O)C[C@H](C)CO 307520457 346088972 /nfs/dbraw/zinc/08/89/72/346088972.db2.gz QMZMLNPWYJQXGK-ZETCQYMHSA-N 0 0 144.214 1.230 10 0 ADAERN COc1cncnc1NCC(F)F 307519987 346088993 /nfs/dbraw/zinc/08/89/93/346088993.db2.gz PBLWEPRQAKJADM-UHFFFAOYSA-N 0 0 189.165 1.162 10 0 ADAERN Cc1ccc(N[C@H](C)CO)c(F)c1 307520132 346089024 /nfs/dbraw/zinc/08/90/24/346089024.db2.gz PRBHSMQXUCPMCI-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN [NH3+][C@@H](c1cn[nH]c1)c1ccoc1 307520432 346089027 /nfs/dbraw/zinc/08/90/27/346089027.db2.gz QHRXSLJMNWYCKK-MRVPVSSYSA-N 0 0 163.180 1.051 10 0 ADAERN CC[C@@]1(C)CCC[C@@H](CO)O1 307520678 346089231 /nfs/dbraw/zinc/08/92/31/346089231.db2.gz RMBVYVJLCCYCRD-IUCAKERBSA-N 0 0 158.241 1.717 10 0 ADAERN Nc1ncn([C@@H]2CC23CCCC3)n1 307520774 346089244 /nfs/dbraw/zinc/08/92/44/346089244.db2.gz YHVLZKGRWLEOAW-SSDOTTSWSA-N 0 0 178.239 1.366 10 0 ADAERN CC[C@]1(C)CCC[C@H](CO)O1 307520679 346089254 /nfs/dbraw/zinc/08/92/54/346089254.db2.gz RMBVYVJLCCYCRD-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN Nc1ncn([C@H]2CC23CCCC3)n1 307520782 346089277 /nfs/dbraw/zinc/08/92/77/346089277.db2.gz YHVLZKGRWLEOAW-ZETCQYMHSA-N 0 0 178.239 1.366 10 0 ADAERN CC[C@@]1(C)CCC[C@H](CO)O1 307520676 346089309 /nfs/dbraw/zinc/08/93/09/346089309.db2.gz RMBVYVJLCCYCRD-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@]1(C)CCC[C@@H](CO)O1 307520677 346089314 /nfs/dbraw/zinc/08/93/14/346089314.db2.gz RMBVYVJLCCYCRD-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C1=COCCC1 307521686 346089605 /nfs/dbraw/zinc/08/96/05/346089605.db2.gz WFVOAUCZDAMOMH-IONNQARKSA-N 0 0 181.235 1.205 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1=COCCC1 307521687 346089662 /nfs/dbraw/zinc/08/96/62/346089662.db2.gz WFVOAUCZDAMOMH-VXNVDRBHSA-N 0 0 181.235 1.205 10 0 ADAERN Cc1noc(N[C@H]2CCS[C@H]2C)n1 307521298 346089672 /nfs/dbraw/zinc/08/96/72/346089672.db2.gz UUDLMNDLFYBCQK-FSPLSTOPSA-N 0 0 199.279 1.684 10 0 ADAERN Cc1noc(N[C@@H]2CCS[C@@H]2C)n1 307521299 346089700 /nfs/dbraw/zinc/08/97/00/346089700.db2.gz UUDLMNDLFYBCQK-IYSWYEEDSA-N 0 0 199.279 1.684 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)C1=COCCC1 307521685 346089724 /nfs/dbraw/zinc/08/97/24/346089724.db2.gz WFVOAUCZDAMOMH-CBAPKCEASA-N 0 0 181.235 1.205 10 0 ADAERN C[C@@H]1CCn2cc(Cl)cc2C(=O)N1 307521480 346089748 /nfs/dbraw/zinc/08/97/48/346089748.db2.gz VMJDSNFTKRSTTR-ZCFIWIBFSA-N 0 0 198.653 1.664 10 0 ADAERN Cc1noc(N[C@H]2CCS[C@@H]2C)n1 307521406 346089759 /nfs/dbraw/zinc/08/97/59/346089759.db2.gz UUDLMNDLFYBCQK-VDTYLAMSSA-N 0 0 199.279 1.684 10 0 ADAERN CC(=O)NC/C=C/C1CC1 307521181 346089778 /nfs/dbraw/zinc/08/97/78/346089778.db2.gz YWXKRHFBTJTYTI-NSCUHMNNSA-N 0 0 139.198 1.089 10 0 ADAERN C[C@H]1CCCN1C(=O)C1=CCC1 307521230 346089806 /nfs/dbraw/zinc/08/98/06/346089806.db2.gz UGQVMTNZGMSXRJ-QMMMGPOBSA-N 0 0 165.236 1.718 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C1=COCCC1 307521684 346089815 /nfs/dbraw/zinc/08/98/15/346089815.db2.gz WFVOAUCZDAMOMH-APPZFPTMSA-N 0 0 181.235 1.205 10 0 ADAERN CONC(=O)NC1[C@@H](C)CC[C@@H]1C 307523318 346090300 /nfs/dbraw/zinc/09/03/00/346090300.db2.gz IGPFBWCVZNODNN-BQBZGAKWSA-N 0 0 186.255 1.282 10 0 ADAERN Cc1cc(N[C@@H](C)CO)ccc1F 307523380 346090335 /nfs/dbraw/zinc/09/03/35/346090335.db2.gz CIYPQSVAGPUTML-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1ccnn1C 307523438 346090342 /nfs/dbraw/zinc/09/03/42/346090342.db2.gz CMWCZPRLTDEPIX-HRDYMLBCSA-N 0 0 179.267 1.877 10 0 ADAERN CC(C)N1CC(=O)N[C@]1(C)C(C)C 307523568 346090355 /nfs/dbraw/zinc/09/03/55/346090355.db2.gz QHDCNPRGRWEVIP-JTQLQIEISA-N 0 0 184.283 1.199 10 0 ADAERN C[C@@H]1[C@@H](Nc2ccnn2C)C[C@H]1C 307523440 346090376 /nfs/dbraw/zinc/09/03/76/346090376.db2.gz CMWCZPRLTDEPIX-VGMNWLOBSA-N 0 0 179.267 1.877 10 0 ADAERN Cc1cc(N[C@H](C)CO)ccc1F 307523378 346090408 /nfs/dbraw/zinc/09/04/08/346090408.db2.gz CIYPQSVAGPUTML-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1CCCOC1 307523522 346090454 /nfs/dbraw/zinc/09/04/54/346090454.db2.gz CPFJTLUWSLOIAD-PTDYZRSTSA-N 0 0 183.251 1.248 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ccnn2C)[C@@H]1C 307523439 346090460 /nfs/dbraw/zinc/09/04/60/346090460.db2.gz CMWCZPRLTDEPIX-IWSPIJDZSA-N 0 0 179.267 1.877 10 0 ADAERN C[C@@H]1C[C@H](Nc2ccnn2C)[C@@H]1C 307523436 346090479 /nfs/dbraw/zinc/09/04/79/346090479.db2.gz CMWCZPRLTDEPIX-HLTSFMKQSA-N 0 0 179.267 1.877 10 0 ADAERN CONC(=O)NC1[C@H](C)CC[C@H]1C 307523344 346090490 /nfs/dbraw/zinc/09/04/90/346090490.db2.gz IGPFBWCVZNODNN-RNFRBKRXSA-N 0 0 186.255 1.282 10 0 ADAERN CC(C)N1CC(=O)N[C@@]1(C)C(C)C 307523573 346090522 /nfs/dbraw/zinc/09/05/22/346090522.db2.gz QHDCNPRGRWEVIP-SNVBAGLBSA-N 0 0 184.283 1.199 10 0 ADAERN CONC(=O)N[C@@H]1[C@@H](C)CC[C@H]1C 307523332 346090544 /nfs/dbraw/zinc/09/05/44/346090544.db2.gz IGPFBWCVZNODNN-JIGDXULJSA-N 0 0 186.255 1.282 10 0 ADAERN CC[C@@H]1CCC[C@H]1n1cnc(N)n1 307524008 346090855 /nfs/dbraw/zinc/09/08/55/346090855.db2.gz DKLAGHRIQFCCRK-HTQZYQBOSA-N 0 0 180.255 1.612 10 0 ADAERN CC[C@@H]1CCC[C@@H]1n1cnc(N)n1 307524014 346090875 /nfs/dbraw/zinc/09/08/75/346090875.db2.gz DKLAGHRIQFCCRK-SFYZADRCSA-N 0 0 180.255 1.612 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1cscn1 307524383 346090930 /nfs/dbraw/zinc/09/09/30/346090930.db2.gz DXNYCZSLKLHKLZ-NKWVEPMBSA-N 0 0 196.275 1.671 10 0 ADAERN CC[C@H]1CCC[C@H]1n1cnc(N)n1 307524011 346090969 /nfs/dbraw/zinc/09/09/69/346090969.db2.gz DKLAGHRIQFCCRK-JGVFFNPUSA-N 0 0 180.255 1.612 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1cscn1 307524378 346091049 /nfs/dbraw/zinc/09/10/49/346091049.db2.gz DXNYCZSLKLHKLZ-BQBZGAKWSA-N 0 0 196.275 1.671 10 0 ADAERN O=C(c1cc(F)ncc1F)C1CC1 307523734 346091123 /nfs/dbraw/zinc/09/11/23/346091123.db2.gz ZEUQHLSERYSXSA-UHFFFAOYSA-N 0 0 183.157 1.953 10 0 ADAERN CC[C@H]1CCC[C@@H]1n1cnc(N)n1 307524016 346091157 /nfs/dbraw/zinc/09/11/57/346091157.db2.gz DKLAGHRIQFCCRK-YUMQZZPRSA-N 0 0 180.255 1.612 10 0 ADAERN CNc1nc(C)c(C(N)=O)cc1Cl 307524550 346091344 /nfs/dbraw/zinc/09/13/44/346091344.db2.gz DABZPQVKWMUKIY-UHFFFAOYSA-N 0 0 199.641 1.184 10 0 ADAERN O=C([O-])/C=C/[NH+]1C2CCC1CC2 307524558 346091380 /nfs/dbraw/zinc/09/13/80/346091380.db2.gz ISCROIKOIUEIAR-AATRIKPKSA-N 0 0 167.208 1.212 10 0 ADAERN CCCNC(=O)Nc1cnc(C)s1 307525237 346091490 /nfs/dbraw/zinc/09/14/90/346091490.db2.gz DOEIZXSRBOATPB-UHFFFAOYSA-N 0 0 199.279 1.983 10 0 ADAERN Nc1cnc(N)c(C(F)(F)F)c1 307524941 346091577 /nfs/dbraw/zinc/09/15/77/346091577.db2.gz GTFDTBCQEQSKEH-UHFFFAOYSA-N 0 0 177.129 1.265 10 0 ADAERN CCC(=O)Nc1cc(CC)on1 307525607 346092072 /nfs/dbraw/zinc/09/20/72/346092072.db2.gz JIUXCWAQZKOABX-UHFFFAOYSA-N 0 0 168.196 1.586 10 0 ADAERN Cc1ccc(C(N)=O)c(F)c1C 307525761 346092189 /nfs/dbraw/zinc/09/21/89/346092189.db2.gz IBKQIPAMLOKHMZ-UHFFFAOYSA-N 0 0 167.183 1.541 10 0 ADAERN CC(C)NC(=O)N1CCC12CCC2 307525567 346092237 /nfs/dbraw/zinc/09/22/37/346092237.db2.gz RCHPJLGYZPSZNC-UHFFFAOYSA-N 0 0 182.267 1.733 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@H]1CCSC1 307527348 346092460 /nfs/dbraw/zinc/09/24/60/346092460.db2.gz KRCFEWSZEHWISR-CBAPKCEASA-N 0 0 183.276 1.801 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@H]1CCSC1 307527350 346092465 /nfs/dbraw/zinc/09/24/65/346092465.db2.gz KRCFEWSZEHWISR-IONNQARKSA-N 0 0 183.276 1.801 10 0 ADAERN CC1CN(C(=O)[C@@H](C)C2CC2)C1 307527167 346092469 /nfs/dbraw/zinc/09/24/69/346092469.db2.gz RZAZJVMGFVJVKY-QMMMGPOBSA-N 0 0 167.252 1.511 10 0 ADAERN CC/C=C/C(=O)Nc1n[nH]c(C)n1 307527134 346092599 /nfs/dbraw/zinc/09/25/99/346092599.db2.gz RUGNFEQUYLUMTO-SNAWJCMRSA-N 0 0 180.211 1.018 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@@H]1CCSC1 307527346 346092663 /nfs/dbraw/zinc/09/26/63/346092663.db2.gz KRCFEWSZEHWISR-APPZFPTMSA-N 0 0 183.276 1.801 10 0 ADAERN CC1CN(C(=O)[C@H](C)C2CC2)C1 307527164 346092672 /nfs/dbraw/zinc/09/26/72/346092672.db2.gz RZAZJVMGFVJVKY-MRVPVSSYSA-N 0 0 167.252 1.511 10 0 ADAERN CN(C)c1noc(CC2(C)CC2)n1 307527156 346092686 /nfs/dbraw/zinc/09/26/86/346092686.db2.gz RXXUFIZMBRQUSR-UHFFFAOYSA-N 0 0 181.239 1.478 10 0 ADAERN Cc1cc(N)c(NN(C)C)cc1C 307527460 346092742 /nfs/dbraw/zinc/09/27/42/346092742.db2.gz SEDSBCCOIKTNTD-UHFFFAOYSA-N 0 0 179.267 1.774 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@@H]1CCSC1 307527352 346092813 /nfs/dbraw/zinc/09/28/13/346092813.db2.gz KRCFEWSZEHWISR-VXNVDRBHSA-N 0 0 183.276 1.801 10 0 ADAERN C[C@@H]([NH3+])[C@@](C)(F)c1cnccc1N 307528130 346093049 /nfs/dbraw/zinc/09/30/49/346093049.db2.gz KTLQREHVSQLNIA-HZGVNTEJSA-N 0 0 183.230 1.196 10 0 ADAERN Clc1cncc(Nc2c[nH]cn2)n1 307528075 346093055 /nfs/dbraw/zinc/09/30/55/346093055.db2.gz SOVMZFSUKVCLSN-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN CCNC(=S)N[C@H]1CCC[C@H]2C[C@H]21 307527721 346093061 /nfs/dbraw/zinc/09/30/61/346093061.db2.gz LLBXMQAOWIGHMY-YIZRAAEISA-N 0 0 198.335 1.659 10 0 ADAERN C[C@H](Nc1cnn(C)c1)[C@@H]1C[C@H]1C 307528045 346093104 /nfs/dbraw/zinc/09/31/04/346093104.db2.gz JWJHCRJLGBMVFQ-KHQFGBGNSA-N 0 0 179.267 1.877 10 0 ADAERN C[C@@H]([NH3+])[C@](C)(F)c1cnccc1N 307528140 346093106 /nfs/dbraw/zinc/09/31/06/346093106.db2.gz KTLQREHVSQLNIA-MUWHJKNJSA-N 0 0 183.230 1.196 10 0 ADAERN Nc1cnc(NCCF)c(Cl)c1 307528302 346093115 /nfs/dbraw/zinc/09/31/15/346093115.db2.gz MLIGIBKWXVGFAW-UHFFFAOYSA-N 0 0 189.621 1.699 10 0 ADAERN C[C@H]([NH3+])[C@](C)(F)c1cnccc1N 307528145 346093126 /nfs/dbraw/zinc/09/31/26/346093126.db2.gz KTLQREHVSQLNIA-RCOVLWMOSA-N 0 0 183.230 1.196 10 0 ADAERN CCNC(=S)N[C@@H]1CCC[C@H]2C[C@H]21 307527720 346093184 /nfs/dbraw/zinc/09/31/84/346093184.db2.gz LLBXMQAOWIGHMY-DJLDLDEBSA-N 0 0 198.335 1.659 10 0 ADAERN Cn1ncnc1C(=O)C1CCCC1 307528129 346093209 /nfs/dbraw/zinc/09/32/09/346093209.db2.gz GHFXNVHDCYNURD-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN CC1(C)CN(c2ncc(C=O)s2)C1 307527682 346093212 /nfs/dbraw/zinc/09/32/12/346093212.db2.gz LCDUESLBUBGIDG-UHFFFAOYSA-N 0 0 196.275 1.802 10 0 ADAERN C[C@H]([NH3+])[C@@](C)(F)c1cnccc1N 307528135 346093233 /nfs/dbraw/zinc/09/32/33/346093233.db2.gz KTLQREHVSQLNIA-IMTBSYHQSA-N 0 0 183.230 1.196 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](C)Nc1cnn(C)c1 307528049 346093271 /nfs/dbraw/zinc/09/32/71/346093271.db2.gz JWJHCRJLGBMVFQ-MRTMQBJTSA-N 0 0 179.267 1.877 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](C)Nc1cnn(C)c1 307528051 346093282 /nfs/dbraw/zinc/09/32/82/346093282.db2.gz JWJHCRJLGBMVFQ-NQMVMOMDSA-N 0 0 179.267 1.877 10 0 ADAERN C[C@H](Nc1cnn(C)c1)[C@H]1C[C@H]1C 307528054 346093329 /nfs/dbraw/zinc/09/33/29/346093329.db2.gz JWJHCRJLGBMVFQ-WEDXCCLWSA-N 0 0 179.267 1.877 10 0 ADAERN Cc1c(F)ccc(CO)c1C 307527858 346093414 /nfs/dbraw/zinc/09/34/14/346093414.db2.gz JNXLEPVQIPDTSF-UHFFFAOYSA-N 0 0 154.184 1.935 10 0 ADAERN Cc1cc(N)cn2c(C(F)F)nnc12 307529179 346093639 /nfs/dbraw/zinc/09/36/39/346093639.db2.gz UIDMETUJSUEGTF-UHFFFAOYSA-N 0 0 198.176 1.558 10 0 ADAERN O[C@@H]1CCC[C@@H](Nc2nccs2)C1 307528859 346093774 /nfs/dbraw/zinc/09/37/74/346093774.db2.gz LHFRQFNFOXJNMF-HTQZYQBOSA-N 0 0 198.291 1.859 10 0 ADAERN O=C(c1cn[nH]c1)C1CCC1 307529112 346093776 /nfs/dbraw/zinc/09/37/76/346093776.db2.gz LHFGLDAPMPYYEV-UHFFFAOYSA-N 0 0 150.181 1.393 10 0 ADAERN CC(C)C1(C(C)C)NC(=O)N=C1N 307529027 346093786 /nfs/dbraw/zinc/09/37/86/346093786.db2.gz NVZWPQMMWKXZMC-UHFFFAOYSA-N 0 0 183.255 1.118 10 0 ADAERN O[C@H]1CCC[C@H](Nc2cnccn2)C1 307529107 346093788 /nfs/dbraw/zinc/09/37/88/346093788.db2.gz UALDVMXWRXSCEN-IUCAKERBSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@@H]1CCC[C@@H](Nc2cnccn2)C1 307529108 346093829 /nfs/dbraw/zinc/09/38/29/346093829.db2.gz UALDVMXWRXSCEN-RKDXNWHRSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@@H]1CCC[C@H](Nc2nccs2)C1 307528860 346093884 /nfs/dbraw/zinc/09/38/84/346093884.db2.gz LHFRQFNFOXJNMF-JGVFFNPUSA-N 0 0 198.291 1.859 10 0 ADAERN O[C@H]1CCC[C@H](Nc2nccs2)C1 307528862 346093901 /nfs/dbraw/zinc/09/39/01/346093901.db2.gz LHFRQFNFOXJNMF-YUMQZZPRSA-N 0 0 198.291 1.859 10 0 ADAERN O[C@H]1CCC[C@@H](Nc2nccs2)C1 307528861 346093910 /nfs/dbraw/zinc/09/39/10/346093910.db2.gz LHFRQFNFOXJNMF-SFYZADRCSA-N 0 0 198.291 1.859 10 0 ADAERN C1CC1N=C1N=NC(C2CC2)CS1 307529216 346093929 /nfs/dbraw/zinc/09/39/29/346093929.db2.gz UKRIZKRLJICOBX-UHFFFAOYSA-N 0 0 195.291 1.607 10 0 ADAERN O[C@H]1CCC[C@@H](Nc2cnccn2)C1 307529105 346093934 /nfs/dbraw/zinc/09/39/34/346093934.db2.gz UALDVMXWRXSCEN-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN CC1(C)Cn2cccc2C(=O)N1 307529366 346094243 /nfs/dbraw/zinc/09/42/43/346094243.db2.gz LMDWENMQRUTIBW-UHFFFAOYSA-N 0 0 164.208 1.010 10 0 ADAERN Nc1cnc(C(F)(F)F)c(F)c1 307530014 346094338 /nfs/dbraw/zinc/09/43/38/346094338.db2.gz MOHUOMVZWHKBIA-UHFFFAOYSA-N 0 0 180.104 1.822 10 0 ADAERN O=C(NC1CC1)N1CCC2(CC2)C1 307529505 346094368 /nfs/dbraw/zinc/09/43/68/346094368.db2.gz LRUGYPCBUNEOAF-UHFFFAOYSA-N 0 0 180.251 1.344 10 0 ADAERN Cc1cc(-c2cnc[nH]c2=O)sn1 307530033 346094389 /nfs/dbraw/zinc/09/43/89/346094389.db2.gz MSCNBJZBPQASHG-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@H](O)[C@@H](C)n1ccc(Cl)n1 307530454 346094677 /nfs/dbraw/zinc/09/46/77/346094677.db2.gz VMBLJRMRZKZWBF-RITPCOANSA-N 0 0 174.631 1.478 10 0 ADAERN C[C@@H]([C@@H](C)O)n1ccc(Cl)n1 307530452 346094777 /nfs/dbraw/zinc/09/47/77/346094777.db2.gz VMBLJRMRZKZWBF-NTSWFWBYSA-N 0 0 174.631 1.478 10 0 ADAERN CNC(=O)N[C@@H](C)c1scnc1C 307531100 346094837 /nfs/dbraw/zinc/09/48/37/346094837.db2.gz WRJSCFRBRHTWJA-LURJTMIESA-N 0 0 199.279 1.442 10 0 ADAERN C[C@H](O)[C@H](C)n1ccc(Cl)n1 307530455 346094849 /nfs/dbraw/zinc/09/48/49/346094849.db2.gz VMBLJRMRZKZWBF-WDSKDSINSA-N 0 0 174.631 1.478 10 0 ADAERN COc1c(C)cncc1O 307531218 346094884 /nfs/dbraw/zinc/09/48/84/346094884.db2.gz UAFWSFRAJDNENE-UHFFFAOYSA-N 0 0 139.154 1.104 10 0 ADAERN CNC(=O)N[C@H](C)c1scnc1C 307531102 346095011 /nfs/dbraw/zinc/09/50/11/346095011.db2.gz WRJSCFRBRHTWJA-ZCFIWIBFSA-N 0 0 199.279 1.442 10 0 ADAERN Nc1cnc(N2CCC2)c(Cl)c1 307531466 346095051 /nfs/dbraw/zinc/09/50/51/346095051.db2.gz VHODSUQLCCNHRR-UHFFFAOYSA-N 0 0 183.642 1.527 10 0 ADAERN CC[NH+](CC)[C@@H]1C[C@@H](C)OC1=O 307532000 346095110 /nfs/dbraw/zinc/09/51/10/346095110.db2.gz YINJGIRDCCRPMF-HTQZYQBOSA-N 0 0 171.240 1.032 10 0 ADAERN Cc1cccc(N[C@H](C)CO)c1F 307531637 346095138 /nfs/dbraw/zinc/09/51/38/346095138.db2.gz VWOWQRDBVUEDNE-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN CO[C@@H](C1=NC(=O)CS1)C1CC1 307531643 346095178 /nfs/dbraw/zinc/09/51/78/346095178.db2.gz VYANQIKPLUTASZ-SSDOTTSWSA-N 0 0 185.248 1.083 10 0 ADAERN CO[C@H](C1=NC(=O)CS1)C1CC1 307531644 346095211 /nfs/dbraw/zinc/09/52/11/346095211.db2.gz VYANQIKPLUTASZ-ZETCQYMHSA-N 0 0 185.248 1.083 10 0 ADAERN Cc1cccc(N[C@@H](C)CO)c1F 307531638 346095214 /nfs/dbraw/zinc/09/52/14/346095214.db2.gz VWOWQRDBVUEDNE-QMMMGPOBSA-N 0 0 183.226 1.927 10 0 ADAERN CC[NH+](CC)[C@H]1C[C@H](C)OC1=O 307532003 346095237 /nfs/dbraw/zinc/09/52/37/346095237.db2.gz YINJGIRDCCRPMF-YUMQZZPRSA-N 0 0 171.240 1.032 10 0 ADAERN CC[NH+](CC)[C@H]1C[C@@H](C)OC1=O 307532002 346095244 /nfs/dbraw/zinc/09/52/44/346095244.db2.gz YINJGIRDCCRPMF-SFYZADRCSA-N 0 0 171.240 1.032 10 0 ADAERN NC(=O)c1cc(F)c(F)c(Cl)c1 307532347 346095262 /nfs/dbraw/zinc/09/52/62/346095262.db2.gz YJNGOFHVUAXIGN-UHFFFAOYSA-N 0 0 191.564 1.717 10 0 ADAERN Cc1nc(Sc2cccnn2)n[nH]1 307532049 346095274 /nfs/dbraw/zinc/09/52/74/346095274.db2.gz YNTJWEOMPJUWDU-UHFFFAOYSA-N 0 0 193.235 1.054 10 0 ADAERN Cc1nnc(Nc2cn[nH]c2)s1 307531564 346095332 /nfs/dbraw/zinc/09/53/32/346095332.db2.gz XQKQGDZDPKLRMY-UHFFFAOYSA-N 0 0 181.224 1.313 10 0 ADAERN Cn1ncnc1[C@H](O)C1(C)CCCC1 307532025 346095341 /nfs/dbraw/zinc/09/53/41/346095341.db2.gz YKKFBKOYNWRDAA-QMMMGPOBSA-N 0 0 195.266 1.429 10 0 ADAERN Cn1ncnc1[C@@H](O)C1(C)CCCC1 307532024 346095395 /nfs/dbraw/zinc/09/53/95/346095395.db2.gz YKKFBKOYNWRDAA-MRVPVSSYSA-N 0 0 195.266 1.429 10 0 ADAERN CCNc1nc(C)c(F)c(OC)n1 307531789 346095405 /nfs/dbraw/zinc/09/54/05/346095405.db2.gz XWKITGJBYLENLW-UHFFFAOYSA-N 0 0 185.202 1.365 10 0 ADAERN CC[NH+](CC)[C@@H]1C[C@H](C)OC1=O 307532001 346095497 /nfs/dbraw/zinc/09/54/97/346095497.db2.gz YINJGIRDCCRPMF-JGVFFNPUSA-N 0 0 171.240 1.032 10 0 ADAERN Cn1ncc([C@H](O)CC2(C)CCC2)n1 307533062 346095685 /nfs/dbraw/zinc/09/56/85/346095685.db2.gz NUCRRYJVBILJKO-SECBINFHSA-N 0 0 195.266 1.429 10 0 ADAERN O=C(CN1CCC1)c1ccoc1 307533101 346095736 /nfs/dbraw/zinc/09/57/36/346095736.db2.gz HNSMJNVQQDOOLP-UHFFFAOYSA-N 0 0 165.192 1.168 10 0 ADAERN Cc1ncccc1C(=O)c1ccc[nH]1 307533007 346095752 /nfs/dbraw/zinc/09/57/52/346095752.db2.gz GVMODWDGTJKJQI-UHFFFAOYSA-N 0 0 186.214 1.949 10 0 ADAERN CC1(C)CC[C@H]1NC(=O)n1ccnc1 307533386 346095775 /nfs/dbraw/zinc/09/57/75/346095775.db2.gz MOPYFBQVGUPTFR-MRVPVSSYSA-N 0 0 193.250 1.629 10 0 ADAERN NC(=O)N[C@@H]1CCCCC1(F)F 307533183 346095793 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307557539 346111737 /nfs/dbraw/zinc/11/17/37/346111737.db2.gz LEANDEPSSPFWQG-UHFFFAOYSA-N 0 0 169.253 1.047 10 0 ADAERN CC[C@]1([C@H]2C[C@H]2C)CNC(=O)O1 307558292 346111760 /nfs/dbraw/zinc/11/17/60/346111760.db2.gz DEXIOLFJDQTZHJ-BKPPORCPSA-N 0 0 169.224 1.531 10 0 ADAERN CC[C@]1([C@@H]2C[C@@H]2C)CNC(=O)O1 307558293 346111775 /nfs/dbraw/zinc/11/17/75/346111775.db2.gz DEXIOLFJDQTZHJ-LKEWCRSYSA-N 0 0 169.224 1.531 10 0 ADAERN Cc1ccsc1Cn1cnc(N)n1 307557724 346111806 /nfs/dbraw/zinc/11/18/06/346111806.db2.gz BWJVWCYRKUPHNG-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN O=C(NC1CCC1)C1=CCCSC1 307558218 346111829 /nfs/dbraw/zinc/11/18/29/346111829.db2.gz VXOPWBNAAJFTGI-UHFFFAOYSA-N 0 0 197.303 1.718 10 0 ADAERN CC1CN(C(=O)N2CC[C@@H](C)C2)C1 307558653 346112122 /nfs/dbraw/zinc/11/21/22/346112122.db2.gz WFUVDIDXYSAXKA-MRVPVSSYSA-N 0 0 182.267 1.400 10 0 ADAERN c1cnnc(Sc2ncc[nH]2)c1 307558663 346112150 /nfs/dbraw/zinc/11/21/50/346112150.db2.gz WHISIQVEWRBKNA-UHFFFAOYSA-N 0 0 178.220 1.351 10 0 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307562654 346113746 /nfs/dbraw/zinc/11/37/46/346113746.db2.gz VWCRIVSKVKDRSE-UHFFFAOYSA-N 0 0 195.247 1.591 10 0 ADAERN Cc1c[nH]c([C@@H](O)C(F)F)c1C 307561830 346113772 /nfs/dbraw/zinc/11/37/72/346113772.db2.gz ZBGLNKCRAOVLJV-SSDOTTSWSA-N 0 0 175.178 1.930 10 0 ADAERN CC(C)(C)NC(=O)[C@H]1CC[C@@H](O)C1 307562047 346113807 /nfs/dbraw/zinc/11/38/07/346113807.db2.gz ZFYNBDSCTOARBX-JGVFFNPUSA-N 0 0 185.267 1.062 10 0 ADAERN Cc1nc(N[C@@H]2CC[C@@H]2C)cc(=O)[nH]1 307561760 346113841 /nfs/dbraw/zinc/11/38/41/346113841.db2.gz YYTACIVAKUIGRA-POYBYMJQSA-N 0 0 193.250 1.701 10 0 ADAERN Cc1nc(N[C@@H]2CC[C@H]2C)cc(=O)[nH]1 307561757 346113900 /nfs/dbraw/zinc/11/39/00/346113900.db2.gz YYTACIVAKUIGRA-HTRCEHHLSA-N 0 0 193.250 1.701 10 0 ADAERN O=C([O-])[C@@H](c1ccccc1)[NH+]1CCC1 307562100 346113905 /nfs/dbraw/zinc/11/39/05/346113905.db2.gz KIHVUABPSGLSEZ-SNVBAGLBSA-N 0 0 191.230 1.518 10 0 ADAERN Cc1nc(N[C@H]2CC[C@@H]2C)cc(=O)[nH]1 307561765 346113915 /nfs/dbraw/zinc/11/39/15/346113915.db2.gz 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346118229 /nfs/dbraw/zinc/11/82/29/346118229.db2.gz RHJORIQFXIOSAQ-LURJTMIESA-N 0 0 163.211 1.982 10 0 ADAERN [NH3+][C@]1(CC(=O)[O-])CC2CCC1CC2 307567837 346118246 /nfs/dbraw/zinc/11/82/46/346118246.db2.gz UYQQQWLYWVCQSO-KTOWXAHTSA-N 0 0 183.251 1.369 10 0 ADAERN O[C@@H](CC1CCC1)[C@@H]1[C@H]2COC[C@H]21 307567813 346118252 /nfs/dbraw/zinc/11/82/52/346118252.db2.gz UUYLZKVDNFXLFI-ZRUFSTJUSA-N 0 0 182.263 1.430 10 0 ADAERN O=C1N[C@H]([C@@H]2CCSC2)[C@H]1C1CC1 307568532 346118309 /nfs/dbraw/zinc/11/83/09/346118309.db2.gz VZPNVEOOEIYULY-IWSPIJDZSA-N 0 0 197.303 1.264 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1nccs1 307569346 346118526 /nfs/dbraw/zinc/11/85/26/346118526.db2.gz XHMQEMVIEYHIIK-RITPCOANSA-N 0 0 172.253 1.324 10 0 ADAERN CC[C@@H]1C[C@H]1c1nnc(N)o1 307569163 346118537 /nfs/dbraw/zinc/11/85/37/346118537.db2.gz VPOGOBXTZVZXFE-RFZPGFLSSA-N 0 0 153.185 1.165 10 0 ADAERN CC[C@@H]1CCC[C@@H]1n1nnnc1N 307568835 346118556 /nfs/dbraw/zinc/11/85/56/346118556.db2.gz UQCKCPSFXAGNRL-RQJHMYQMSA-N 0 0 181.243 1.007 10 0 ADAERN CC[C@@H]1CCC[C@H]1n1nnnc1N 307568834 346118567 /nfs/dbraw/zinc/11/85/67/346118567.db2.gz UQCKCPSFXAGNRL-RNFRBKRXSA-N 0 0 181.243 1.007 10 0 ADAERN CC[C@H]1CCC[C@H]1n1nnnc1N 307568833 346118580 /nfs/dbraw/zinc/11/85/80/346118580.db2.gz UQCKCPSFXAGNRL-NKWVEPMBSA-N 0 0 181.243 1.007 10 0 ADAERN CC1(C)[C@@H](C(F)(F)F)CCN1N 307569520 346118612 /nfs/dbraw/zinc/11/86/12/346118612.db2.gz XMGXSABJOTYGIN-YFKPBYRVSA-N 0 0 182.189 1.523 10 0 ADAERN C[C@H](Nc1nccs1)[C@@H](C)O 307569344 346118617 /nfs/dbraw/zinc/11/86/17/346118617.db2.gz XHMQEMVIEYHIIK-NTSWFWBYSA-N 0 0 172.253 1.324 10 0 ADAERN Cc1cnc([C@@H]2CC(=O)N2)s1 307568672 346118620 /nfs/dbraw/zinc/11/86/20/346118620.db2.gz UJIVWDQVPTURAL-YFKPBYRVSA-N 0 0 168.221 1.013 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1nccs1 307569345 346118651 /nfs/dbraw/zinc/11/86/51/346118651.db2.gz XHMQEMVIEYHIIK-PHDIDXHHSA-N 0 0 172.253 1.324 10 0 ADAERN Cc1cnc([C@H]2CC(=O)N2)s1 307568671 346118656 /nfs/dbraw/zinc/11/86/56/346118656.db2.gz 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C[C@@H]1CC[C@@H]1[N@@H+]1CC[C@@H](C(=O)[O-])C1 307569939 346119099 /nfs/dbraw/zinc/11/90/99/346119099.db2.gz YDYOLZUFKRWODB-HLTSFMKQSA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)NC(=O)N1CC[C@H]2CCC[C@H]21 307569783 346119125 /nfs/dbraw/zinc/11/91/25/346119125.db2.gz WWLNPJLUYOURFP-NXEZZACHSA-N 0 0 196.294 1.979 10 0 ADAERN CC(C)NC(=O)N1CC[C@@H]2CCC[C@@H]21 307569784 346119130 /nfs/dbraw/zinc/11/91/30/346119130.db2.gz WWLNPJLUYOURFP-UWVGGRQHSA-N 0 0 196.294 1.979 10 0 ADAERN C[S@](=O)Nc1n[nH]c2ccccc12 307570070 346119152 /nfs/dbraw/zinc/11/91/52/346119152.db2.gz YPEDLNNLVXHVLZ-ZDUSSCGKSA-N 0 0 195.247 1.268 10 0 ADAERN Cc1cnc(N)nc1[C@@H]1C[C@H]1C 307569747 346119178 /nfs/dbraw/zinc/11/91/78/346119178.db2.gz WQUSZOJFHDKZCP-IYSWYEEDSA-N 0 0 163.224 1.491 10 0 ADAERN Cc1cnc(N)nc1[C@@H]1C[C@@H]1C 307569745 346119180 /nfs/dbraw/zinc/11/91/80/346119180.db2.gz WQUSZOJFHDKZCP-CAHLUQPWSA-N 0 0 163.224 1.491 10 0 ADAERN C[S@](=O)Nc1ccc(F)nc1F 307569674 346119184 /nfs/dbraw/zinc/11/91/84/346119184.db2.gz XQHXPWDRYZBFDK-LBPRGKRZSA-N 0 0 192.190 1.065 10 0 ADAERN CC(C)NC(=O)N1CC[C@@H]2CCC[C@H]21 307569785 346119199 /nfs/dbraw/zinc/11/91/99/346119199.db2.gz WWLNPJLUYOURFP-VHSXEESVSA-N 0 0 196.294 1.979 10 0 ADAERN C[S@@](=O)Nc1n[nH]c2ccccc12 307570069 346119245 /nfs/dbraw/zinc/11/92/45/346119245.db2.gz YPEDLNNLVXHVLZ-CYBMUJFWSA-N 0 0 195.247 1.268 10 0 ADAERN Cc1cnc(N)nc1[C@H]1C[C@@H]1C 307569746 346119256 /nfs/dbraw/zinc/11/92/56/346119256.db2.gz WQUSZOJFHDKZCP-FSPLSTOPSA-N 0 0 163.224 1.491 10 0 ADAERN C[C@@H]1CC[C@H]1[N@@H+]1CC[C@H](C(=O)[O-])C1 307569940 346119279 /nfs/dbraw/zinc/11/92/79/346119279.db2.gz YDYOLZUFKRWODB-HRDYMLBCSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]1CC[C@H]1[N@@H+]1CC[C@@H](C(=O)[O-])C1 307569941 346119326 /nfs/dbraw/zinc/11/93/26/346119326.db2.gz YDYOLZUFKRWODB-IWSPIJDZSA-N 0 0 183.251 1.191 10 0 ADAERN C[S@@](=O)Nc1ccc(F)nc1F 307569673 346119332 /nfs/dbraw/zinc/11/93/32/346119332.db2.gz XQHXPWDRYZBFDK-GFCCVEGCSA-N 0 0 192.190 1.065 10 0 ADAERN Cc1cc([C@@]2(C)CNC(=O)C2)cs1 307570369 346119551 /nfs/dbraw/zinc/11/95/51/346119551.db2.gz ZPEBWBDWSZIRSV-SNVBAGLBSA-N 0 0 195.287 1.834 10 0 ADAERN CC=C(CC)C(=O)Nc1cn[nH]n1 307570761 346119600 /nfs/dbraw/zinc/11/96/00/346119600.db2.gz CTPGQCCTHDNYOJ-ZZXKWVIFSA-N 0 0 180.211 1.100 10 0 ADAERN CNc1ccc(F)cc1NC(C)=O 307570758 346119608 /nfs/dbraw/zinc/11/96/08/346119608.db2.gz CTIFMWHTLDEWJQ-UHFFFAOYSA-N 0 0 182.198 1.826 10 0 ADAERN CC(F)(F)C(=O)Nc1cncnc1 307570401 346119857 /nfs/dbraw/zinc/11/98/57/346119857.db2.gz ZUNHPLKHHJJXNP-UHFFFAOYSA-N 0 0 187.149 1.070 10 0 ADAERN Cc1cc([C@]2(C)CNC(=O)C2)cs1 307570368 346119889 /nfs/dbraw/zinc/11/98/89/346119889.db2.gz ZPEBWBDWSZIRSV-JTQLQIEISA-N 0 0 195.287 1.834 10 0 ADAERN CCNC(=S)N[C@@H]1CC[C@H]2C[C@H]21 307570558 346119892 /nfs/dbraw/zinc/11/98/92/346119892.db2.gz CPVMNEYLIPDDLO-XLPZGREQSA-N 0 0 184.308 1.269 10 0 ADAERN CCNC(=S)N[C@@H]1CC[C@@H]2C[C@@H]21 307570547 346119895 /nfs/dbraw/zinc/11/98/95/346119895.db2.gz CPVMNEYLIPDDLO-GJMOJQLCSA-N 0 0 184.308 1.269 10 0 ADAERN CCn1nncc1[C@@](C)(O)C1CCC1 307570677 346119936 /nfs/dbraw/zinc/11/99/36/346119936.db2.gz CESVXBXZXLFFCK-JTQLQIEISA-N 0 0 195.266 1.306 10 0 ADAERN CCn1nncc1[C@](C)(O)C1CCC1 307570680 346119941 /nfs/dbraw/zinc/11/99/41/346119941.db2.gz CESVXBXZXLFFCK-SNVBAGLBSA-N 0 0 195.266 1.306 10 0 ADAERN C[C@@H]1C[C@H](Nc2cccnn2)[C@@H]1C 307571390 346120149 /nfs/dbraw/zinc/12/01/49/346120149.db2.gz CZELEVHAVYOIAN-HLTSFMKQSA-N 0 0 177.251 1.933 10 0 ADAERN Cc1cc(C2=CCC[NH2+]C2)sn1 307571905 346120680 /nfs/dbraw/zinc/12/06/80/346120680.db2.gz DCCAEROVCYVVGR-UHFFFAOYSA-N 0 0 180.276 1.828 10 0 ADAERN C[S@@](=O)Nc1cccc(Cl)n1 307571384 346120170 /nfs/dbraw/zinc/12/01/70/346120170.db2.gz CYZXXNBUCNPCNA-LLVKDONJSA-N 0 0 190.655 1.440 10 0 ADAERN C[C@@H]1[C@@H](Nc2cccnn2)C[C@H]1C 307571393 346120198 /nfs/dbraw/zinc/12/01/98/346120198.db2.gz CZELEVHAVYOIAN-VGMNWLOBSA-N 0 0 177.251 1.933 10 0 ADAERN 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307573483 346121894 /nfs/dbraw/zinc/12/18/94/346121894.db2.gz DXTJUQSGZOYGIV-NKWVEPMBSA-N 0 0 162.192 1.169 10 0 ADAERN C[C@H](N(C)C(N)=S)C1(C)CC1 307574216 346121910 /nfs/dbraw/zinc/12/19/10/346121910.db2.gz CJUPGMLVVRJFCS-LURJTMIESA-N 0 0 172.297 1.350 10 0 ADAERN CC1(NC(=O)c2ccno2)CCC1 307573785 346121914 /nfs/dbraw/zinc/12/19/14/346121914.db2.gz GMSHCCMRMFPLEU-UHFFFAOYSA-N 0 0 180.207 1.347 10 0 ADAERN C[C@H]1C(=O)C[C@@H]1c1ccncn1 307573494 346121947 /nfs/dbraw/zinc/12/19/47/346121947.db2.gz DXTJUQSGZOYGIV-RQJHMYQMSA-N 0 0 162.192 1.169 10 0 ADAERN CC1(C)CC[C@H]1N1CCC(=O)C1 307573922 346121950 /nfs/dbraw/zinc/12/19/50/346121950.db2.gz FCSLDHAHSOCUQL-SECBINFHSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]1c1ccncn1 307573476 346121958 /nfs/dbraw/zinc/12/19/58/346121958.db2.gz DXTJUQSGZOYGIV-BQBZGAKWSA-N 0 0 162.192 1.169 10 0 ADAERN CC(=O)c1cnnn1C(C)(C)C 307573724 346122035 /nfs/dbraw/zinc/12/20/35/346122035.db2.gz GHDNOEBEMBFHQH-UHFFFAOYSA-N 0 0 167.212 1.236 10 0 ADAERN 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307574333 346122618 /nfs/dbraw/zinc/12/26/18/346122618.db2.gz HHIRUQXSUDHHLL-HZGVNTEJSA-N 0 0 169.224 1.531 10 0 ADAERN CC1(C)OC[C@H](C[C@H]2CCOC2)C1=O 307574482 346122642 /nfs/dbraw/zinc/12/26/42/346122642.db2.gz HHMBIJHBZLOBKG-BDAKNGLRSA-N 0 0 198.262 1.407 10 0 ADAERN CC1(C)OC[C@@H](C[C@H]2CCOC2)C1=O 307574485 346122646 /nfs/dbraw/zinc/12/26/46/346122646.db2.gz HHMBIJHBZLOBKG-RKDXNWHRSA-N 0 0 198.262 1.407 10 0 ADAERN C[C@@H](N1CN=NC1=S)C(C)(F)F 307574251 346122667 /nfs/dbraw/zinc/12/26/67/346122667.db2.gz CNTPGOKXYYCUAB-SCSAIBSYSA-N 0 0 193.222 1.783 10 0 ADAERN CC1(C)C[C@@H]1[C@]1(C)COC(=O)N1 307574339 346122712 /nfs/dbraw/zinc/12/27/12/346122712.db2.gz HHIRUQXSUDHHLL-RCOVLWMOSA-N 0 0 169.224 1.531 10 0 ADAERN CC1(C)OC[C@H](C[C@@H]2CCOC2)C1=O 307574484 346122728 /nfs/dbraw/zinc/12/27/28/346122728.db2.gz HHMBIJHBZLOBKG-IUCAKERBSA-N 0 0 198.262 1.407 10 0 ADAERN CC(C)C[C@H]1CN(C)C(=S)N1 307574503 346122733 /nfs/dbraw/zinc/12/27/33/346122733.db2.gz HJDHEVQWIBINSE-ZETCQYMHSA-N 0 0 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/nfs/dbraw/zinc/12/37/16/346123716.db2.gz JMTBNSXKOBIFNH-SSDOTTSWSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)N[C@H]1CC[C@H]1C 307575828 346123865 /nfs/dbraw/zinc/12/38/65/346123865.db2.gz JLKWKDZYAIKIAV-XGEHTFHBSA-N 0 0 182.267 1.493 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)N[C@H]1CC[C@H]1C 307575827 346123814 /nfs/dbraw/zinc/12/38/14/346123814.db2.gz JLKWKDZYAIKIAV-RYPBNFRJSA-N 0 0 182.267 1.493 10 0 ADAERN CN(C#N)C(=O)[C@H]1CCC(F)(F)C1 307576991 346124010 /nfs/dbraw/zinc/12/40/10/346124010.db2.gz KZOWZJYPIQABGO-LURJTMIESA-N 0 0 188.177 1.361 10 0 ADAERN CNC(=O)C[C@@H]1CCC(F)(F)C1 307576782 346124042 /nfs/dbraw/zinc/12/40/42/346124042.db2.gz KTXVMHOJBOUWPI-LURJTMIESA-N 0 0 177.194 1.558 10 0 ADAERN OC[C@H]1CCCC2(CCC2)O1 307577199 346124046 /nfs/dbraw/zinc/12/40/46/346124046.db2.gz LQEXKIDWTNTFGC-MRVPVSSYSA-N 0 0 156.225 1.471 10 0 ADAERN COc1nc([C@H](O)C2CCC2)cs1 307577074 346124055 /nfs/dbraw/zinc/12/40/55/346124055.db2.gz OJRZGVUCWLQENI-MRVPVSSYSA-N 0 0 199.275 1.985 10 0 ADAERN CN(C#N)C(=O)[C@@H]1CCC(F)(F)C1 307576992 346124142 /nfs/dbraw/zinc/12/41/42/346124142.db2.gz KZOWZJYPIQABGO-ZCFIWIBFSA-N 0 0 188.177 1.361 10 0 ADAERN COc1nc([C@@H](O)C2CCC2)cs1 307577075 346124147 /nfs/dbraw/zinc/12/41/47/346124147.db2.gz OJRZGVUCWLQENI-QMMMGPOBSA-N 0 0 199.275 1.985 10 0 ADAERN CNC(=O)C[C@H]1CCC(F)(F)C1 307576783 346124196 /nfs/dbraw/zinc/12/41/96/346124196.db2.gz KTXVMHOJBOUWPI-ZCFIWIBFSA-N 0 0 177.194 1.558 10 0 ADAERN OC[C@@H]1CCCC2(CCC2)O1 307577200 346124226 /nfs/dbraw/zinc/12/42/26/346124226.db2.gz LQEXKIDWTNTFGC-QMMMGPOBSA-N 0 0 156.225 1.471 10 0 ADAERN CN(Cc1ncccn1)C1CCC1 307576687 346124253 /nfs/dbraw/zinc/12/42/53/346124253.db2.gz KJOYRDMIOSRUHB-UHFFFAOYSA-N 0 0 177.251 1.461 10 0 ADAERN Cc1cc(=O)[nH]nc1[C@H]1CC1(C)C 307577248 346124376 /nfs/dbraw/zinc/12/43/76/346124376.db2.gz OTQQILKLKYUAGJ-SSDOTTSWSA-N 0 0 178.235 1.592 10 0 ADAERN CC(C)NC(=O)[C@H]1CC[C@H](F)C1 307577972 346124586 /nfs/dbraw/zinc/12/45/86/346124586.db2.gz MXLCBOUPEZMQRL-YUMQZZPRSA-N 0 0 173.231 1.649 10 0 ADAERN C[C@H]1CC[C@@]2(CCN(C(N)=O)C2)C1 307577739 346124655 /nfs/dbraw/zinc/12/46/55/346124655.db2.gz MMJGEEIPMQIMBV-WCBMZHEXSA-N 0 0 182.267 1.577 10 0 ADAERN CC(C)NC(=O)[C@@H]1CC[C@@H](F)C1 307577966 346124637 /nfs/dbraw/zinc/12/46/37/346124637.db2.gz MXLCBOUPEZMQRL-HTQZYQBOSA-N 0 0 173.231 1.649 10 0 ADAERN CC(C)NC(=O)[C@@H]1CC[C@H](F)C1 307577971 346124640 /nfs/dbraw/zinc/12/46/40/346124640.db2.gz MXLCBOUPEZMQRL-SFYZADRCSA-N 0 0 173.231 1.649 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1C[C@@H]1C 307577955 346124650 /nfs/dbraw/zinc/12/46/50/346124650.db2.gz MWTITHWQDAYPBD-RGGFDPLPSA-N 0 0 153.225 1.477 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1C[C@H]1C 307577959 346124702 /nfs/dbraw/zinc/12/47/02/346124702.db2.gz MWTITHWQDAYPBD-VMMSMWDISA-N 0 0 153.225 1.477 10 0 ADAERN C[C@H]1CC[C@]2(CCN(C(N)=O)C2)C1 307577741 346124718 /nfs/dbraw/zinc/12/47/18/346124718.db2.gz MMJGEEIPMQIMBV-WPRPVWTQSA-N 0 0 182.267 1.577 10 0 ADAERN C/C=C(/C)C(=O)N[C@@H]1C[C@@H]1C 307577957 346124719 /nfs/dbraw/zinc/12/47/19/346124719.db2.gz MWTITHWQDAYPBD-VFYBFDEHSA-N 0 0 153.225 1.477 10 0 ADAERN Cc1c[nH]c(=S)n1Cc1cocn1 307577508 346124726 /nfs/dbraw/zinc/12/47/26/346124726.db2.gz PQBQBLPGNMVOEX-UHFFFAOYSA-N 0 0 195.247 1.517 10 0 ADAERN OCNc1nc2ccccc2o1 307577922 346124759 /nfs/dbraw/zinc/12/47/59/346124759.db2.gz MUMUDTPWJZMYQO-UHFFFAOYSA-N 0 0 164.164 1.190 10 0 ADAERN CC(C)NC(=O)[C@H]1CC[C@@H](F)C1 307577968 346124765 /nfs/dbraw/zinc/12/47/65/346124765.db2.gz MXLCBOUPEZMQRL-JGVFFNPUSA-N 0 0 173.231 1.649 10 0 ADAERN Cc1cc(=O)[nH]nc1[C@@H]1CC1(C)C 307577249 346124774 /nfs/dbraw/zinc/12/47/74/346124774.db2.gz OTQQILKLKYUAGJ-ZETCQYMHSA-N 0 0 178.235 1.592 10 0 ADAERN Cc1ccnc(N[C@H](C)[C@H](C)O)c1 307578291 346125078 /nfs/dbraw/zinc/12/50/78/346125078.db2.gz NNFTUMUQQDTTCB-BDAKNGLRSA-N 0 0 180.251 1.571 10 0 ADAERN Cc1n[nH]cc1[C@H](C)N1CC(F)C1 307578467 346125145 /nfs/dbraw/zinc/12/51/45/346125145.db2.gz NSIPIOWCRYEHQC-ZETCQYMHSA-N 0 0 183.230 1.433 10 0 ADAERN Cn1ncc(-c2cccc(C=O)c2)n1 307578507 346125167 /nfs/dbraw/zinc/12/51/67/346125167.db2.gz NWQFXEFYWROFDS-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN Cc1ccnc(N[C@H](C)[C@@H](C)O)c1 307578294 346125232 /nfs/dbraw/zinc/12/52/32/346125232.db2.gz NNFTUMUQQDTTCB-RKDXNWHRSA-N 0 0 180.251 1.571 10 0 ADAERN CC(C)C[C@H]1C[C@@H](C)C(=O)N1 307578400 346125241 /nfs/dbraw/zinc/12/52/41/346125241.db2.gz RRWFUHZWSRNIKJ-SFYZADRCSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)C[C@H]1C[C@H](C)C(=O)N1 307578401 346125277 /nfs/dbraw/zinc/12/52/77/346125277.db2.gz RRWFUHZWSRNIKJ-YUMQZZPRSA-N 0 0 155.241 1.557 10 0 ADAERN CC(C)C[C@@H]1C[C@@H](C)C(=O)N1 307578398 346125318 /nfs/dbraw/zinc/12/53/18/346125318.db2.gz RRWFUHZWSRNIKJ-HTQZYQBOSA-N 0 0 155.241 1.557 10 0 ADAERN Cc1n[nH]cc1[C@@H](C)N1CC(F)C1 307578466 346125336 /nfs/dbraw/zinc/12/53/36/346125336.db2.gz NSIPIOWCRYEHQC-SSDOTTSWSA-N 0 0 183.230 1.433 10 0 ADAERN CC(C)C[C@@H]1C[C@H](C)C(=O)N1 307578399 346125345 /nfs/dbraw/zinc/12/53/45/346125345.db2.gz RRWFUHZWSRNIKJ-JGVFFNPUSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@H](O)c1cnnn1C(C)(C)C 307578658 346125354 /nfs/dbraw/zinc/12/53/54/346125354.db2.gz OBMWZCHUOHVWLT-LURJTMIESA-N 0 0 169.228 1.086 10 0 ADAERN Cc1ccnc(N[C@@H](C)[C@H](C)O)c1 307578293 346125374 /nfs/dbraw/zinc/12/53/74/346125374.db2.gz NNFTUMUQQDTTCB-IUCAKERBSA-N 0 0 180.251 1.571 10 0 ADAERN Cc1ccnc(N[C@@H](C)[C@@H](C)O)c1 307578292 346125384 /nfs/dbraw/zinc/12/53/84/346125384.db2.gz NNFTUMUQQDTTCB-DTWKUNHWSA-N 0 0 180.251 1.571 10 0 ADAERN C[C@H]1C[C@@H](C)[N@@H+]1Cc1cncnc1 307579367 346125597 /nfs/dbraw/zinc/12/55/97/346125597.db2.gz PMEADSXVPFGYKJ-DTORHVGOSA-N 0 0 177.251 1.459 10 0 ADAERN CC(C)[C@H](C)C(=O)Nc1c[nH]cn1 307579558 346125634 /nfs/dbraw/zinc/12/56/34/346125634.db2.gz PVCLBAWGITUHPX-ZETCQYMHSA-N 0 0 181.239 1.640 10 0 ADAERN NC(=O)C[C@H]1CCC(F)(F)C1 307579176 346125704 /nfs/dbraw/zinc/12/57/04/346125704.db2.gz PBJJDUJACRBYPV-RXMQYKEDSA-N 0 0 163.167 1.297 10 0 ADAERN CCc1noc(C)c1NC(N)=O 307578912 346125873 /nfs/dbraw/zinc/12/58/73/346125873.db2.gz OLGFQBMMMUGJEY-UHFFFAOYSA-N 0 0 169.184 1.036 10 0 ADAERN CC(C)[C@@H](C)C(=O)Nc1c[nH]cn1 307579557 346125912 /nfs/dbraw/zinc/12/59/12/346125912.db2.gz PVCLBAWGITUHPX-SSDOTTSWSA-N 0 0 181.239 1.640 10 0 ADAERN CN1C(=S)N=NC1C1(C)CC1 307578903 346125916 /nfs/dbraw/zinc/12/59/16/346125916.db2.gz OKYKXSLYTAGRPS-UHFFFAOYSA-N 0 0 169.253 1.155 10 0 ADAERN NC(=O)C[C@@H]1CCC(F)(F)C1 307579177 346125978 /nfs/dbraw/zinc/12/59/78/346125978.db2.gz PBJJDUJACRBYPV-YFKPBYRVSA-N 0 0 163.167 1.297 10 0 ADAERN CC(C)C[C@]1(C)CNC(=O)[C@@H]1C 307580328 346126155 /nfs/dbraw/zinc/12/61/55/346126155.db2.gz WTKAJDANDLGYML-WCBMZHEXSA-N 0 0 169.268 1.805 10 0 ADAERN C=CC(=O)N[C@@H]1C[C@@]1(C)CC 307580166 346126204 /nfs/dbraw/zinc/12/62/04/346126204.db2.gz WIJUZUOUZQYPPI-VXNVDRBHSA-N 0 0 153.225 1.477 10 0 ADAERN FC1(F)CCCC[C@H]1NC1COC1 307579782 346126227 /nfs/dbraw/zinc/12/62/27/346126227.db2.gz VQARASLWFQTSIG-MRVPVSSYSA-N 0 0 191.221 1.553 10 0 ADAERN FC1(F)CCCC[C@@H]1NC1COC1 307579783 346126320 /nfs/dbraw/zinc/12/63/20/346126320.db2.gz VQARASLWFQTSIG-QMMMGPOBSA-N 0 0 191.221 1.553 10 0 ADAERN Cc1nnsc1C[C@@H]1CCCC1=O 307579588 346126335 /nfs/dbraw/zinc/12/63/35/346126335.db2.gz QAHVTZWRPZBLGV-ZETCQYMHSA-N 0 0 196.275 1.758 10 0 ADAERN CC(C)C[C@]1(C)CNC(=O)[C@H]1C 307580326 346126338 /nfs/dbraw/zinc/12/63/38/346126338.db2.gz WTKAJDANDLGYML-PSASIEDQSA-N 0 0 169.268 1.805 10 0 ADAERN Cc1nnsc1C[C@H]1CCCC1=O 307579587 346126396 /nfs/dbraw/zinc/12/63/96/346126396.db2.gz QAHVTZWRPZBLGV-SSDOTTSWSA-N 0 0 196.275 1.758 10 0 ADAERN CC(C)C[C@@]1(C)CNC(=O)[C@@H]1C 307580329 346126352 /nfs/dbraw/zinc/12/63/52/346126352.db2.gz WTKAJDANDLGYML-WPRPVWTQSA-N 0 0 169.268 1.805 10 0 ADAERN CNC(=O)N(C)c1cnccc1C 307579922 346126391 /nfs/dbraw/zinc/12/63/91/346126391.db2.gz QNNQVCRWCXHRAW-UHFFFAOYSA-N 0 0 179.223 1.166 10 0 ADAERN C=CC(=O)N[C@H]1C[C@]1(C)CC 307580164 346126422 /nfs/dbraw/zinc/12/64/22/346126422.db2.gz WIJUZUOUZQYPPI-CBAPKCEASA-N 0 0 153.225 1.477 10 0 ADAERN C=CC(=O)N[C@H]1C[C@@]1(C)CC 307580165 346126432 /nfs/dbraw/zinc/12/64/32/346126432.db2.gz WIJUZUOUZQYPPI-IONNQARKSA-N 0 0 153.225 1.477 10 0 ADAERN CC(C)C[C@@]1(C)CNC(=O)[C@H]1C 307580327 346126439 /nfs/dbraw/zinc/12/64/39/346126439.db2.gz WTKAJDANDLGYML-SCZZXKLOSA-N 0 0 169.268 1.805 10 0 ADAERN C=CC(=O)N[C@@H]1C[C@]1(C)CC 307580163 346126492 /nfs/dbraw/zinc/12/64/92/346126492.db2.gz WIJUZUOUZQYPPI-APPZFPTMSA-N 0 0 153.225 1.477 10 0 ADAERN CCNC(=S)N[C@H]1CC[C@H](F)C1 307581106 346126661 /nfs/dbraw/zinc/12/66/61/346126661.db2.gz BTFBRSPZBRNYNV-BQBZGAKWSA-N 0 0 190.287 1.361 10 0 ADAERN CC1(C)C[C@@H]1[C@]1(C)COC(N)=N1 307580545 346126662 /nfs/dbraw/zinc/12/66/62/346126662.db2.gz XWQGKQBLJHZWBH-RCOVLWMOSA-N 0 0 168.240 1.136 10 0 ADAERN CC1(C)C[C@H]1[C@]1(C)COC(N)=N1 307580544 346126759 /nfs/dbraw/zinc/12/67/59/346126759.db2.gz XWQGKQBLJHZWBH-MUWHJKNJSA-N 0 0 168.240 1.136 10 0 ADAERN Cc1nc(C(=O)C2CC2)co1 307580737 346126772 /nfs/dbraw/zinc/12/67/72/346126772.db2.gz YMZJMNQUINTRKK-UHFFFAOYSA-N 0 0 151.165 1.576 10 0 ADAERN CCNC(=S)N[C@@H]1CC[C@H](F)C1 307581107 346126784 /nfs/dbraw/zinc/12/67/84/346126784.db2.gz BTFBRSPZBRNYNV-NKWVEPMBSA-N 0 0 190.287 1.361 10 0 ADAERN CC1(C)C[C@H]1[C@@]1(C)COC(N)=N1 307580542 346126819 /nfs/dbraw/zinc/12/68/19/346126819.db2.gz XWQGKQBLJHZWBH-HZGVNTEJSA-N 0 0 168.240 1.136 10 0 ADAERN C=C/C(C)=C\CC(=O)NC 307581843 346127224 /nfs/dbraw/zinc/12/72/24/346127224.db2.gz SLUMRCHOBLHQKP-ALCCZGGFSA-N 0 0 139.198 1.255 10 0 ADAERN Cc1cncc([C@H](O)C2=COCC2)c1 307583024 346127685 /nfs/dbraw/zinc/12/76/85/346127685.db2.gz XHDUQFYACVUCRE-LLVKDONJSA-N 0 0 191.230 1.728 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@H]1CCC=CO1 307582372 346127697 /nfs/dbraw/zinc/12/76/97/346127697.db2.gz UZZUKQKYERPEGA-IWSPIJDZSA-N 0 0 181.235 1.204 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCC=CO1 307582371 346127737 /nfs/dbraw/zinc/12/77/37/346127737.db2.gz UZZUKQKYERPEGA-HRDYMLBCSA-N 0 0 181.235 1.204 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCC=CO1 307582370 346127764 /nfs/dbraw/zinc/12/77/64/346127764.db2.gz UZZUKQKYERPEGA-HLTSFMKQSA-N 0 0 181.235 1.204 10 0 ADAERN FCCNc1ccnc(Cl)n1 307582894 346127770 /nfs/dbraw/zinc/12/77/70/346127770.db2.gz WQCOMSPFDHQVAA-UHFFFAOYSA-N 0 0 175.594 1.511 10 0 ADAERN Cc1cncc([C@@H](O)C2=COCC2)c1 307583025 346127831 /nfs/dbraw/zinc/12/78/31/346127831.db2.gz XHDUQFYACVUCRE-NSHDSACASA-N 0 0 191.230 1.728 10 0 ADAERN C[C@]1(C(F)(F)F)CNC(=S)N1 307582969 346127911 /nfs/dbraw/zinc/12/79/11/346127911.db2.gz XATKJRPRWXKQIW-SCSAIBSYSA-N 0 0 184.186 1.196 10 0 ADAERN C[C@@]1(C(F)(F)F)CNC(=S)N1 307582968 346127923 /nfs/dbraw/zinc/12/79/23/346127923.db2.gz XATKJRPRWXKQIW-BYPYZUCNSA-N 0 0 184.186 1.196 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC=CO1 307582373 346127954 /nfs/dbraw/zinc/12/79/54/346127954.db2.gz UZZUKQKYERPEGA-VGMNWLOBSA-N 0 0 181.235 1.204 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)C1CCCC1 307583268 346128029 /nfs/dbraw/zinc/12/80/29/346128029.db2.gz YBQRKSYFPMAJMX-IONNQARKSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1nccnc1SC(C)(C)CO 307583247 346128144 /nfs/dbraw/zinc/12/81/44/346128144.db2.gz XYWXVYAOCLQEEB-UHFFFAOYSA-N 0 0 198.291 1.648 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)c1cocn1 307583463 346128379 /nfs/dbraw/zinc/12/83/79/346128379.db2.gz YQACNAGTTYAXPZ-RNFRBKRXSA-N 0 0 180.207 1.060 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)c1cocn1 307583464 346128426 /nfs/dbraw/zinc/12/84/26/346128426.db2.gz YQACNAGTTYAXPZ-RQJHMYQMSA-N 0 0 180.207 1.060 10 0 ADAERN C[N@H+]([C@H]1CCCC1=O)C(C)(C)C 307583846 346128559 /nfs/dbraw/zinc/12/85/59/346128559.db2.gz FZSNEWFOWSVHNS-QMMMGPOBSA-N 0 0 169.268 1.838 10 0 ADAERN Cc1cc(N[C@H]2CC[C@H]2C)ncn1 307584263 346128607 /nfs/dbraw/zinc/12/86/07/346128607.db2.gz HQHLLPCYQDLMNQ-APPZFPTMSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cc(N[C@@H]2CC[C@@H]2C)ncn1 307584265 346128622 /nfs/dbraw/zinc/12/86/22/346128622.db2.gz HQHLLPCYQDLMNQ-IONNQARKSA-N 0 0 177.251 1.995 10 0 ADAERN O=C(c1cc(Cl)ccn1)N1CC1 307584332 346128661 /nfs/dbraw/zinc/12/86/61/346128661.db2.gz HZBMMPHHIBWITM-UHFFFAOYSA-N 0 0 182.610 1.191 10 0 ADAERN Cc1cc(N[C@@H]2CC[C@H]2C)ncn1 307584266 346128751 /nfs/dbraw/zinc/12/87/51/346128751.db2.gz HQHLLPCYQDLMNQ-VXNVDRBHSA-N 0 0 177.251 1.995 10 0 ADAERN C[N@H+]([C@@H]1CCCC1=O)C(C)(C)C 307583845 346128802 /nfs/dbraw/zinc/12/88/02/346128802.db2.gz FZSNEWFOWSVHNS-MRVPVSSYSA-N 0 0 169.268 1.838 10 0 ADAERN CNc1ncc(-c2nccn2C)s1 307584242 346128862 /nfs/dbraw/zinc/12/88/62/346128862.db2.gz HPDQJJOEBMSKRV-UHFFFAOYSA-N 0 0 194.263 1.585 10 0 ADAERN Cc1cc(N[C@H]2CC[C@@H]2C)ncn1 307584264 346128884 /nfs/dbraw/zinc/12/88/84/346128884.db2.gz HQHLLPCYQDLMNQ-CBAPKCEASA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnn(C)c1C(=O)[C@@H]1C[C@H]1C 307585109 346129125 /nfs/dbraw/zinc/12/91/25/346129125.db2.gz KMRDKLLCUFHWFJ-HTRCEHHLSA-N 0 0 178.235 1.567 10 0 ADAERN Cc1cnn(C)c1C(=O)[C@H]1C[C@H]1C 307585111 346129110 /nfs/dbraw/zinc/12/91/10/346129110.db2.gz KMRDKLLCUFHWFJ-SVRRBLITSA-N 0 0 178.235 1.567 10 0 ADAERN CC(C)(C)[C@H]1NC(=O)[C@H]1C1CCC1 307584458 346129130 /nfs/dbraw/zinc/12/91/30/346129130.db2.gz IMQAYGCBZJDFRD-IUCAKERBSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@H]1NC(=O)[C@@H]1c1ccccc1 307584470 346129153 /nfs/dbraw/zinc/12/91/53/346129153.db2.gz INRKESQCBNQQGR-NXEZZACHSA-N 0 0 175.231 1.679 10 0 ADAERN Cc1cnn(C)c1C(=O)[C@H]1C[C@@H]1C 307585112 346129167 /nfs/dbraw/zinc/12/91/67/346129167.db2.gz KMRDKLLCUFHWFJ-XPUUQOCRSA-N 0 0 178.235 1.567 10 0 ADAERN CCn1nncc1N[C@H]1CC[C@H]1C 307585191 346129173 /nfs/dbraw/zinc/12/91/73/346129173.db2.gz KTMNOQRJOJLNHV-SFYZADRCSA-N 0 0 180.255 1.508 10 0 ADAERN CCn1nncc1N[C@H]1CC[C@@H]1C 307585192 346129214 /nfs/dbraw/zinc/12/92/14/346129214.db2.gz KTMNOQRJOJLNHV-YUMQZZPRSA-N 0 0 180.255 1.508 10 0 ADAERN Cc1cnn(C)c1C(=O)[C@@H]1C[C@@H]1C 307585110 346129317 /nfs/dbraw/zinc/12/93/17/346129317.db2.gz KMRDKLLCUFHWFJ-POYBYMJQSA-N 0 0 178.235 1.567 10 0 ADAERN CCn1nncc1N[C@@H]1CC[C@@H]1C 307585190 346129324 /nfs/dbraw/zinc/12/93/24/346129324.db2.gz KTMNOQRJOJLNHV-JGVFFNPUSA-N 0 0 180.255 1.508 10 0 ADAERN Nc1ccc(F)c(-c2ncno2)c1F 307584668 346129327 /nfs/dbraw/zinc/12/93/27/346129327.db2.gz JDIXGTIBAGBVLZ-UHFFFAOYSA-N 0 0 197.144 1.597 10 0 ADAERN CC[C@H]1NC(=O)[C@H]1c1ccccc1 307584473 346129342 /nfs/dbraw/zinc/12/93/42/346129342.db2.gz INRKESQCBNQQGR-ZJUUUORDSA-N 0 0 175.231 1.679 10 0 ADAERN CC(C)(C)[C@H]1NC(=O)[C@@H]1C1CCC1 307584456 346129357 /nfs/dbraw/zinc/12/93/57/346129357.db2.gz IMQAYGCBZJDFRD-BDAKNGLRSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@@H]1NC(=O)[C@H]1c1ccccc1 307584471 346129402 /nfs/dbraw/zinc/12/94/02/346129402.db2.gz INRKESQCBNQQGR-UWVGGRQHSA-N 0 0 175.231 1.679 10 0 ADAERN CCn1nncc1N[C@@H]1CC[C@H]1C 307585189 346129437 /nfs/dbraw/zinc/12/94/37/346129437.db2.gz KTMNOQRJOJLNHV-HTQZYQBOSA-N 0 0 180.255 1.508 10 0 ADAERN CC(C)(C)[C@@H]1NC(=O)[C@H]1C1CCC1 307584457 346129459 /nfs/dbraw/zinc/12/94/59/346129459.db2.gz IMQAYGCBZJDFRD-DTWKUNHWSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@@H]1NC(=O)[C@@H]1c1ccccc1 307584472 346129485 /nfs/dbraw/zinc/12/94/85/346129485.db2.gz INRKESQCBNQQGR-VHSXEESVSA-N 0 0 175.231 1.679 10 0 ADAERN CC(C)(C)[C@@H]1NC(=O)[C@@H]1C1CCC1 307584459 346129498 /nfs/dbraw/zinc/12/94/98/346129498.db2.gz IMQAYGCBZJDFRD-RKDXNWHRSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C[C@@H](n2cncc2C=O)[C@@H]1C 307585696 346129718 /nfs/dbraw/zinc/12/97/18/346129718.db2.gz MRRJCDRZWGITLM-NQMVMOMDSA-N 0 0 178.235 1.913 10 0 ADAERN CSC(C)(C)C1=N[C@H](C)C(=O)N1 307585390 346129736 /nfs/dbraw/zinc/12/97/36/346129736.db2.gz LLSKWAVAEDIQIR-RXMQYKEDSA-N 0 0 186.280 1.045 10 0 ADAERN NC(=S)NC[C@H]1CCCC1(F)F 307585858 346129759 /nfs/dbraw/zinc/12/97/59/346129759.db2.gz NLSWPVIWYLRXAV-RXMQYKEDSA-N 0 0 194.250 1.255 10 0 ADAERN NC(=S)NC[C@@H]1CCCC1(F)F 307585859 346129761 /nfs/dbraw/zinc/12/97/61/346129761.db2.gz NLSWPVIWYLRXAV-YFKPBYRVSA-N 0 0 194.250 1.255 10 0 ADAERN Cc1cn(Cc2cn[nH]c2)cc1C 307585773 346129763 /nfs/dbraw/zinc/12/97/63/346129763.db2.gz NDUKIFPAVVJSDO-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN O=C1COC[C@@H](CC2CCCC2)N1 307585929 346129772 /nfs/dbraw/zinc/12/97/72/346129772.db2.gz NUNNCFAOPYIQES-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN CSc1nc2ccncc2c(=O)[nH]1 307585426 346129791 /nfs/dbraw/zinc/12/97/91/346129791.db2.gz LPYKLKKCFASGOW-UHFFFAOYSA-N 0 0 193.231 1.452 10 0 ADAERN C[C@@H]1C[C@H](n2cncc2C=O)[C@@H]1C 307585695 346129818 /nfs/dbraw/zinc/12/98/18/346129818.db2.gz MRRJCDRZWGITLM-MRTMQBJTSA-N 0 0 178.235 1.913 10 0 ADAERN Cn1ccc(N[C@H]2CCOC2(C)C)n1 307585718 346129835 /nfs/dbraw/zinc/12/98/35/346129835.db2.gz MWIGXKQDBQZTCJ-QMMMGPOBSA-N 0 0 195.266 1.400 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1n1cncc1C=O 307585694 346129847 /nfs/dbraw/zinc/12/98/47/346129847.db2.gz MRRJCDRZWGITLM-KHQFGBGNSA-N 0 0 178.235 1.913 10 0 ADAERN C[C@@H]1[C@@H](n2cncc2C=O)C[C@H]1C 307585697 346129864 /nfs/dbraw/zinc/12/98/64/346129864.db2.gz MRRJCDRZWGITLM-WEDXCCLWSA-N 0 0 178.235 1.913 10 0 ADAERN NOc1ccc(Cl)cc1F 307585998 346129907 /nfs/dbraw/zinc/12/99/07/346129907.db2.gz OEIFEVJJOANXTR-UHFFFAOYSA-N 0 0 161.563 1.732 10 0 ADAERN Cc1csc(CNC(N)=S)c1 307585722 346129928 /nfs/dbraw/zinc/12/99/28/346129928.db2.gz MXFUMLASVWYDRN-UHFFFAOYSA-N 0 0 186.305 1.390 10 0 ADAERN O=C1COC[C@H](CC2CCCC2)N1 307585930 346129985 /nfs/dbraw/zinc/12/99/85/346129985.db2.gz NUNNCFAOPYIQES-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN CSC(C)(C)C1=N[C@@H](C)C(=O)N1 307585391 346129987 /nfs/dbraw/zinc/12/99/87/346129987.db2.gz LLSKWAVAEDIQIR-YFKPBYRVSA-N 0 0 186.280 1.045 10 0 ADAERN S=c1[nH]cc(-c2ccncn2)[nH]1 307586639 346130424 /nfs/dbraw/zinc/13/04/24/346130424.db2.gz QHKZYXBRAOMCRA-UHFFFAOYSA-N 0 0 178.220 1.529 10 0 ADAERN Cc1cc(C)c(OC(N)=O)c(N)c1 307587250 346130785 /nfs/dbraw/zinc/13/07/85/346130785.db2.gz SJTMLLPJWWRTAF-UHFFFAOYSA-N 0 0 180.207 1.343 10 0 ADAERN CC[C@H]1C[C@@H]1c1nc(N)no1 307587578 346130809 /nfs/dbraw/zinc/13/08/09/346130809.db2.gz UOTYFTVGOSLKKJ-WHFBIAKZSA-N 0 0 153.185 1.165 10 0 ADAERN CC[C@]1(C2CCC2)CNC(=O)C1 307587493 346130819 /nfs/dbraw/zinc/13/08/19/346130819.db2.gz UGVDYQLEARINQU-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN CC[C@@H]1C[C@@H]1c1nc(N)no1 307587577 346130833 /nfs/dbraw/zinc/13/08/33/346130833.db2.gz UOTYFTVGOSLKKJ-UHNVWZDZSA-N 0 0 153.185 1.165 10 0 ADAERN CC[C@H]1C[C@H]1c1nc(N)no1 307587576 346130947 /nfs/dbraw/zinc/13/09/47/346130947.db2.gz UOTYFTVGOSLKKJ-CRCLSJGQSA-N 0 0 153.185 1.165 10 0 ADAERN CN(C)C(C)(C)c1nc(Cl)n[nH]1 307587251 346130959 /nfs/dbraw/zinc/13/09/59/346130959.db2.gz SJXSILHOOKGESW-UHFFFAOYSA-N 0 0 188.662 1.255 10 0 ADAERN CC[C@@]1(C2CCC2)CNC(=O)C1 307587492 346130977 /nfs/dbraw/zinc/13/09/77/346130977.db2.gz UGVDYQLEARINQU-JTQLQIEISA-N 0 0 167.252 1.703 10 0 ADAERN Nc1nc(CN2C[C@H]3C[C@H]3C2)cs1 307587400 346131125 /nfs/dbraw/zinc/13/11/25/346131125.db2.gz TVGUEFUTMBHVAD-KNVOCYPGSA-N 0 0 195.291 1.177 10 0 ADAERN CC(C)ON1CCC(=O)[C@H](C)[C@H]1C 307588661 346131328 /nfs/dbraw/zinc/13/13/28/346131328.db2.gz YAPDGVKSPQLTPE-RKDXNWHRSA-N 0 0 185.267 1.626 10 0 ADAERN O=C1NC[C@@H](CC2CCCC2)O1 307588218 346131417 /nfs/dbraw/zinc/13/14/17/346131417.db2.gz WNRMMSMEMFFWHW-MRVPVSSYSA-N 0 0 169.224 1.675 10 0 ADAERN CC(C)ON1CCC(=O)[C@H](C)[C@@H]1C 307588658 346131484 /nfs/dbraw/zinc/13/14/84/346131484.db2.gz YAPDGVKSPQLTPE-BDAKNGLRSA-N 0 0 185.267 1.626 10 0 ADAERN CC(C)[C@@H](C1CC1)N1CN[C@H](C)C1=O 307588610 346131442 /nfs/dbraw/zinc/13/14/42/346131442.db2.gz XVZUTIUSNQIMKU-SCZZXKLOSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@H](C1CC1)N1CN[C@@H](C)C1=O 307588611 346131569 /nfs/dbraw/zinc/13/15/69/346131569.db2.gz XVZUTIUSNQIMKU-WCBMZHEXSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)ON1CCC(=O)[C@@H](C)[C@@H]1C 307588660 346131571 /nfs/dbraw/zinc/13/15/71/346131571.db2.gz YAPDGVKSPQLTPE-IUCAKERBSA-N 0 0 185.267 1.626 10 0 ADAERN CC(C)ON1CCC(=O)[C@@H](C)[C@H]1C 307588659 346131574 /nfs/dbraw/zinc/13/15/74/346131574.db2.gz YAPDGVKSPQLTPE-DTWKUNHWSA-N 0 0 185.267 1.626 10 0 ADAERN CC(C)[C@@H](C1CC1)N1CN[C@@H](C)C1=O 307588612 346131611 /nfs/dbraw/zinc/13/16/11/346131611.db2.gz XVZUTIUSNQIMKU-WPRPVWTQSA-N 0 0 196.294 1.199 10 0 ADAERN CC(C)[C@H](C1CC1)N1CN[C@H](C)C1=O 307588609 346131621 /nfs/dbraw/zinc/13/16/21/346131621.db2.gz XVZUTIUSNQIMKU-PSASIEDQSA-N 0 0 196.294 1.199 10 0 ADAERN O=C1NC[C@H](CC2CCCC2)O1 307588219 346131628 /nfs/dbraw/zinc/13/16/28/346131628.db2.gz WNRMMSMEMFFWHW-QMMMGPOBSA-N 0 0 169.224 1.675 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1nc(N)ns1 307589184 346131915 /nfs/dbraw/zinc/13/19/15/346131915.db2.gz ZSFYJDLRJMKURS-WHFBIAKZSA-N 0 0 184.268 1.331 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1nc(N)ns1 307589183 346131918 /nfs/dbraw/zinc/13/19/18/346131918.db2.gz ZSFYJDLRJMKURS-UHNVWZDZSA-N 0 0 184.268 1.331 10 0 ADAERN C[C@H](Nc1nn(C)cc1N)C(F)F 307589362 346131928 /nfs/dbraw/zinc/13/19/28/346131928.db2.gz AHLZXCNPVJILTR-BYPYZUCNSA-N 0 0 190.197 1.068 10 0 ADAERN CNC(=O)N1C[C@@H]2CCCCC[C@@H]21 307589165 346131950 /nfs/dbraw/zinc/13/19/50/346131950.db2.gz ZQIGGCLMMJSHJR-IUCAKERBSA-N 0 0 182.267 1.590 10 0 ADAERN C[C@H]1CC[C@H]1Nc1nc(N)ns1 307589181 346131967 /nfs/dbraw/zinc/13/19/67/346131967.db2.gz ZSFYJDLRJMKURS-CRCLSJGQSA-N 0 0 184.268 1.331 10 0 ADAERN CNC(=O)N1C[C@@H]2CCCCC[C@H]21 307589164 346131969 /nfs/dbraw/zinc/13/19/69/346131969.db2.gz ZQIGGCLMMJSHJR-DTWKUNHWSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H]1C 307589052 346131976 /nfs/dbraw/zinc/13/19/76/346131976.db2.gz ZEXUECALDZAJQA-MUWHJKNJSA-N 0 0 193.250 1.246 10 0 ADAERN CNC(=O)N1C[C@H]2CCCCC[C@H]21 307589166 346131996 /nfs/dbraw/zinc/13/19/96/346131996.db2.gz ZQIGGCLMMJSHJR-RKDXNWHRSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1cnn(Cc2nc(Cl)n[nH]2)c1 307589232 346132014 /nfs/dbraw/zinc/13/20/14/346132014.db2.gz ZXOHTQBRHJALBP-UHFFFAOYSA-N 0 0 197.629 1.011 10 0 ADAERN CCc1cc(N(C)C)ncn1 307589152 346132060 /nfs/dbraw/zinc/13/20/60/346132060.db2.gz ZOZQATGHFXLTAO-UHFFFAOYSA-N 0 0 151.213 1.105 10 0 ADAERN CC1(C)[C@H]2CN(c3ncc[nH]3)C[C@H]21 307589358 346132095 /nfs/dbraw/zinc/13/20/95/346132095.db2.gz AGWLBVWGLDYIIX-OCAPTIKFSA-N 0 0 177.251 1.502 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1nc(N)ns1 307589182 346132112 /nfs/dbraw/zinc/13/21/12/346132112.db2.gz ZSFYJDLRJMKURS-RFZPGFLSSA-N 0 0 184.268 1.331 10 0 ADAERN CNC(=O)N1C[C@H]2CCCCC[C@@H]21 307589163 346132137 /nfs/dbraw/zinc/13/21/37/346132137.db2.gz ZQIGGCLMMJSHJR-BDAKNGLRSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1n[nH]cc1C(=O)N[C@H]1CC[C@@H]1C 307589053 346132151 /nfs/dbraw/zinc/13/21/51/346132151.db2.gz ZEXUECALDZAJQA-RCOVLWMOSA-N 0 0 193.250 1.246 10 0 ADAERN C[C@@H](Nc1nn(C)cc1N)C(F)F 307589364 346132194 /nfs/dbraw/zinc/13/21/94/346132194.db2.gz AHLZXCNPVJILTR-SCSAIBSYSA-N 0 0 190.197 1.068 10 0 ADAERN CCc1nc([C@H]2COC(=O)N2)cs1 307590096 346132385 /nfs/dbraw/zinc/13/23/85/346132385.db2.gz BILCZBNOXZDLEU-RXMQYKEDSA-N 0 0 198.247 1.486 10 0 ADAERN Cc1nn(C)cc1[C@]1(C)CC[C@H](O)C1 307590028 346132390 /nfs/dbraw/zinc/13/23/90/346132390.db2.gz BJQAXWVLSCHZTM-GXSJLCMTSA-N 0 0 194.278 1.531 10 0 ADAERN CC1(C)CCC[C@H]1CNC(N)=S 307589650 346132406 /nfs/dbraw/zinc/13/24/06/346132406.db2.gz AULWUHGCRVQFHO-ZETCQYMHSA-N 0 0 186.324 1.646 10 0 ADAERN Cc1nn(C)cc1[C@@]1(C)CC[C@H](O)C1 307590037 346132426 /nfs/dbraw/zinc/13/24/26/346132426.db2.gz BJQAXWVLSCHZTM-ONGXEEELSA-N 0 0 194.278 1.531 10 0 ADAERN CC1(c2[nH]c(=O)[nH]c2N)CCCC1 307589784 346132434 /nfs/dbraw/zinc/13/24/34/346132434.db2.gz BAPXGEUDPVSNAQ-ZCFIWIBFSA-N 0 0 181.239 1.016 10 0 ADAERN Cc1nn(C)cc1[C@]1(C)CC[C@@H](O)C1 307590035 346132489 /nfs/dbraw/zinc/13/24/89/346132489.db2.gz BJQAXWVLSCHZTM-MWLCHTKSSA-N 0 0 194.278 1.531 10 0 ADAERN CCc1nc([C@@H]2COC(=O)N2)cs1 307590097 346132542 /nfs/dbraw/zinc/13/25/42/346132542.db2.gz BILCZBNOXZDLEU-YFKPBYRVSA-N 0 0 198.247 1.486 10 0 ADAERN CC1(C)CCC[C@@H]1CNC(N)=S 307589649 346132573 /nfs/dbraw/zinc/13/25/73/346132573.db2.gz AULWUHGCRVQFHO-SSDOTTSWSA-N 0 0 186.324 1.646 10 0 ADAERN Nc1ncc(CC2CC2)cn1 307590203 346132602 /nfs/dbraw/zinc/13/26/02/346132602.db2.gz GGXSSEYJTYSVHE-UHFFFAOYSA-N 0 0 149.197 1.011 10 0 ADAERN CC1(c2[nH]c(=O)[nH]c2N)CCCC1 307589783 346132670 /nfs/dbraw/zinc/13/26/70/346132670.db2.gz BAPXGEUDPVSNAQ-LURJTMIESA-N 0 0 181.239 1.016 10 0 ADAERN Cc1nn(C)cc1[C@@]1(C)CC[C@@H](O)C1 307590032 346132710 /nfs/dbraw/zinc/13/27/10/346132710.db2.gz BJQAXWVLSCHZTM-KOLCDFICSA-N 0 0 194.278 1.531 10 0 ADAERN CCNC(=O)N[C@@H]1C[C@H](C)[C@H]1C 307590451 346133004 /nfs/dbraw/zinc/13/30/04/346133004.db2.gz CEHHQZXNJSLZFG-XLPZGREQSA-N 0 0 170.256 1.350 10 0 ADAERN CCNC(=O)Oc1ccc(N)cc1C 307590801 346133033 /nfs/dbraw/zinc/13/30/33/346133033.db2.gz CRPOJSRIQJKHBE-UHFFFAOYSA-N 0 0 194.234 1.686 10 0 ADAERN Cc1ncn(COC(C)C)c1C 307591001 346133057 /nfs/dbraw/zinc/13/30/57/346133057.db2.gz GXJURPUJHBNOBT-UHFFFAOYSA-N 0 0 168.240 1.882 10 0 ADAERN Cc1cnc(NCc2cn[nH]c2)s1 307591028 346133169 /nfs/dbraw/zinc/13/31/69/346133169.db2.gz BWUXRSCMHUMMJM-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CCNC(=O)N[C@@H]1C[C@H](C)[C@@H]1C 307590447 346133180 /nfs/dbraw/zinc/13/31/80/346133180.db2.gz CEHHQZXNJSLZFG-BIIVOSGPSA-N 0 0 170.256 1.350 10 0 ADAERN CCNC(=O)N[C@@H]1C[C@@H](C)[C@@H]1C 307590449 346133250 /nfs/dbraw/zinc/13/32/50/346133250.db2.gz CEHHQZXNJSLZFG-GJMOJQLCSA-N 0 0 170.256 1.350 10 0 ADAERN CCNC(=O)N[C@@H]1C[C@@H](C)[C@H]1C 307590448 346133330 /nfs/dbraw/zinc/13/33/30/346133330.db2.gz CEHHQZXNJSLZFG-BWZBUEFSSA-N 0 0 170.256 1.350 10 0 ADAERN Cc1nc(C)c(F)c(NCCCO)n1 307591231 346133601 /nfs/dbraw/zinc/13/36/01/346133601.db2.gz CEQWSCWLRXVEAU-UHFFFAOYSA-N 0 0 199.229 1.027 10 0 ADAERN [NH3+]Cc1c[nH]c(CC2CCCC2)n1 307591565 346133614 /nfs/dbraw/zinc/13/36/14/346133614.db2.gz CNIBUJNZDWHGBD-UHFFFAOYSA-N 0 0 179.267 1.601 10 0 ADAERN C[C@@H](Nc1cncc(=O)[nH]1)C1CC1 307591469 346133733 /nfs/dbraw/zinc/13/37/33/346133733.db2.gz HKANONIXFXDJGZ-ZCFIWIBFSA-N 0 0 179.223 1.393 10 0 ADAERN C[C@H](Nc1cncc(=O)[nH]1)C1CC1 307591465 346133906 /nfs/dbraw/zinc/13/39/06/346133906.db2.gz HKANONIXFXDJGZ-LURJTMIESA-N 0 0 179.223 1.393 10 0 ADAERN O=c1[nH]ccn1[C@@H]1[C@H]2CCCC[C@H]21 307592274 346134120 /nfs/dbraw/zinc/13/41/20/346134120.db2.gz CZFSSJZXCCCMHJ-BRPSZJMVSA-N 0 0 178.235 1.538 10 0 ADAERN N[C@@H](c1cccnc1)c1ccsn1 307592305 346134160 /nfs/dbraw/zinc/13/41/60/346134160.db2.gz HVHCYYUUEMHZIM-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN N[C@H](c1cccnc1)c1ccsn1 307592303 346134463 /nfs/dbraw/zinc/13/44/63/346134463.db2.gz HVHCYYUUEMHZIM-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN CC(C)Cc1nsc(N2CCC2)n1 307592895 346134943 /nfs/dbraw/zinc/13/49/43/346134943.db2.gz ILERFDFINOMUOL-UHFFFAOYSA-N 0 0 197.307 1.947 10 0 ADAERN F[C@@H]1CCC[C@@H]1Nc1ncns1 307594216 346135311 /nfs/dbraw/zinc/13/53/11/346135311.db2.gz IIJWVJRTHYTMCB-RITPCOANSA-N 0 0 187.243 1.841 10 0 ADAERN NC1=N[C@@]2(CCCC23CCC3)CO1 307594307 346135316 /nfs/dbraw/zinc/13/53/16/346135316.db2.gz IOMYEZOIKXCDRT-JTQLQIEISA-N 0 0 180.251 1.424 10 0 ADAERN CC1([C@H]2COC(=O)N2)CCCC1 307594170 346135344 /nfs/dbraw/zinc/13/53/44/346135344.db2.gz JWVOFTWNVPZOCN-SSDOTTSWSA-N 0 0 169.224 1.675 10 0 ADAERN 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346140177 /nfs/dbraw/zinc/14/01/77/346140177.db2.gz SGAMLPSDVJBQIJ-NKWVEPMBSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1CCC[C@H](c2nc(N)no2)C1 307601548 346140233 /nfs/dbraw/zinc/14/02/33/346140233.db2.gz SGAMLPSDVJBQIJ-RQJHMYQMSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1NC(=O)[C@@H]1C1CCCC1 307601938 346140244 /nfs/dbraw/zinc/14/02/44/346140244.db2.gz SQNNTJCXTKKNDC-XPUUQOCRSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@@H]1CCC[C@@H](c2nc(N)no2)C1 307601547 346140248 /nfs/dbraw/zinc/14/02/48/346140248.db2.gz SGAMLPSDVJBQIJ-RNFRBKRXSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1NC(=O)[C@H]1C1CCCC1 307601936 346140281 /nfs/dbraw/zinc/14/02/81/346140281.db2.gz SQNNTJCXTKKNDC-POYBYMJQSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@H]1NC(=O)[C@H]1C1CCCC1 307601935 346140293 /nfs/dbraw/zinc/14/02/93/346140293.db2.gz SQNNTJCXTKKNDC-HTRCEHHLSA-N 0 0 153.225 1.311 10 0 ADAERN COc1ccc(C(F)(F)F)c(N)n1 307602758 346140499 /nfs/dbraw/zinc/14/04/99/346140499.db2.gz XNQLIAZKNSCRQE-UHFFFAOYSA-N 0 0 192.140 1.691 10 0 ADAERN 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WSHDSIKVYNILBO-UHFFFAOYSA-N 0 0 172.297 1.413 10 0 ADAERN CC[C@@H]1C[C@@H]1C(=O)Nc1ncc[nH]1 307602434 346140854 /nfs/dbraw/zinc/14/08/54/346140854.db2.gz UBEYUZUQHUKYPI-RQJHMYQMSA-N 0 0 179.223 1.394 10 0 ADAERN CC(C)[C@@H](C)NC(=O)c1ccon1 307602186 346140893 /nfs/dbraw/zinc/14/08/93/346140893.db2.gz TUQQGXYALCOIAS-SSDOTTSWSA-N 0 0 182.223 1.449 10 0 ADAERN CNc1cnc2c(n1)CCCC2 307603188 346141018 /nfs/dbraw/zinc/14/10/18/346141018.db2.gz ZAMCLYAOUNAGPU-UHFFFAOYSA-N 0 0 163.224 1.397 10 0 ADAERN C[C@@H](NC1CC1)c1csnn1 307603115 346141023 /nfs/dbraw/zinc/14/10/23/346141023.db2.gz YQVUORARBOVJHQ-RXMQYKEDSA-N 0 0 169.253 1.351 10 0 ADAERN C[C@H]1CCCC[C@@]1(C)n1cnc(N)n1 307603389 346141035 /nfs/dbraw/zinc/14/10/35/346141035.db2.gz ZSMMBISEKQBCFH-WCBMZHEXSA-N 0 0 194.282 1.786 10 0 ADAERN N#CNC/C=C/C1CC1 307603825 346141114 /nfs/dbraw/zinc/14/11/14/346141114.db2.gz UPPGBFPTMMBRBR-OWOJBTEDSA-N 0 0 122.171 1.023 10 0 ADAERN FCCNc1ccc2nccnc2n1 307603924 346141139 /nfs/dbraw/zinc/14/11/39/346141139.db2.gz UWABECQFUUCPEH-UHFFFAOYSA-N 0 0 192.197 1.406 10 0 ADAERN O=C1CC(Oc2cncc(F)c2)C1 307603164 346141197 /nfs/dbraw/zinc/14/11/97/346141197.db2.gz YVZJBXPYYJRGJP-UHFFFAOYSA-N 0 0 181.166 1.331 10 0 ADAERN C[C@H]1CCCC[C@]1(C)n1cnc(N)n1 307603390 346141280 /nfs/dbraw/zinc/14/12/80/346141280.db2.gz ZSMMBISEKQBCFH-WPRPVWTQSA-N 0 0 194.282 1.786 10 0 ADAERN C[C@H](NC1CC1)c1csnn1 307603116 346141392 /nfs/dbraw/zinc/14/13/92/346141392.db2.gz YQVUORARBOVJHQ-YFKPBYRVSA-N 0 0 169.253 1.351 10 0 ADAERN CSc1c[nH]nc1NC(=O)C(C)C 307604084 346141684 /nfs/dbraw/zinc/14/16/84/346141684.db2.gz VFMMOHQDZIXIPG-UHFFFAOYSA-N 0 0 199.279 1.726 10 0 ADAERN CCn1ccnc1[C@@H]1NCCS1 307604155 346141754 /nfs/dbraw/zinc/14/17/54/346141754.db2.gz VKTHOZDOQJDQHH-MRVPVSSYSA-N 0 0 183.280 1.238 10 0 ADAERN CC1(C)CCC[C@@H]1n1cnc(N)n1 307604409 346141770 /nfs/dbraw/zinc/14/17/70/346141770.db2.gz WBJCNEOLQKONQK-ZETCQYMHSA-N 0 0 180.255 1.612 10 0 ADAERN C[S@@](=O)Nc1ccc(Cl)nc1 307604860 346141890 /nfs/dbraw/zinc/14/18/90/346141890.db2.gz XCKJFWZBMDVEDK-LLVKDONJSA-N 0 0 190.655 1.440 10 0 ADAERN CC1(C)CCC[C@H]1n1cnc(N)n1 307604408 346141968 /nfs/dbraw/zinc/14/19/68/346141968.db2.gz WBJCNEOLQKONQK-SSDOTTSWSA-N 0 0 180.255 1.612 10 0 ADAERN CCn1ccnc1[C@H]1NCCS1 307604156 346141974 /nfs/dbraw/zinc/14/19/74/346141974.db2.gz VKTHOZDOQJDQHH-QMMMGPOBSA-N 0 0 183.280 1.238 10 0 ADAERN CC1(C)CC(NC(=O)C(F)F)C1 307606058 346142255 /nfs/dbraw/zinc/14/22/55/346142255.db2.gz ZWQMUNUHGXOBAT-UHFFFAOYSA-N 0 0 177.194 1.556 10 0 ADAERN CCc1nc([C@@H]2CNC(=O)C2)cs1 307605028 346142272 /nfs/dbraw/zinc/14/22/72/346142272.db2.gz XOVFHIHELMYFFW-LURJTMIESA-N 0 0 196.275 1.309 10 0 ADAERN Cc1nccc(NC(C)(C)CF)n1 307605943 346142337 /nfs/dbraw/zinc/14/23/37/346142337.db2.gz ZPEZHTMHXJVQKZ-UHFFFAOYSA-N 0 0 183.230 1.945 10 0 ADAERN Cc1ccn(-c2ncc(C)c(C)n2)n1 307606104 346142340 /nfs/dbraw/zinc/14/23/40/346142340.db2.gz ZXULXIUZNOCVEK-UHFFFAOYSA-N 0 0 188.234 1.588 10 0 ADAERN CCc1nc([C@H]2CNC(=O)C2)cs1 307605029 346142362 /nfs/dbraw/zinc/14/23/62/346142362.db2.gz XOVFHIHELMYFFW-ZCFIWIBFSA-N 0 0 196.275 1.309 10 0 ADAERN CC(C)CCNc1nnco1 307606065 346142366 /nfs/dbraw/zinc/14/23/66/346142366.db2.gz ZWUUYFDUXQZUBA-UHFFFAOYSA-N 0 0 155.201 1.528 10 0 ADAERN O=C(c1cscn1)c1cnns1 307605091 346142367 /nfs/dbraw/zinc/14/23/67/346142367.db2.gz XQOFEJAVIHEUHE-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN Cc1cc(C(=O)N2CC2)c(C)[nH]1 307605992 346142441 /nfs/dbraw/zinc/14/24/41/346142441.db2.gz ZSCJCULEKYWSPM-UHFFFAOYSA-N 0 0 164.208 1.087 10 0 ADAERN CC(C)C(O)(c1nccn1C)C(C)C 307605567 346142448 /nfs/dbraw/zinc/14/24/48/346142448.db2.gz YRYUIAMWLNLWTB-UHFFFAOYSA-N 0 0 196.294 1.920 10 0 ADAERN O=Cc1nc(-c2ccncn2)cs1 307606187 346142726 /nfs/dbraw/zinc/14/27/26/346142726.db2.gz DHNDRNXALOQGQC-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN CC(=O)N[C@H](C)C(C)(F)F 307606118 346142739 /nfs/dbraw/zinc/14/27/39/346142739.db2.gz ZYEYWKCUBTWNHW-SCSAIBSYSA-N 0 0 151.156 1.166 10 0 ADAERN C[C@H](Nc1c[nH]cn1)[C@@H]1CCOC1 307606540 346142891 /nfs/dbraw/zinc/14/28/91/346142891.db2.gz AIHRFSICNYHJLX-JGVFFNPUSA-N 0 0 181.239 1.247 10 0 ADAERN C[C@@H](Nc1c[nH]cn1)[C@@H]1CCOC1 307606538 346143077 /nfs/dbraw/zinc/14/30/77/346143077.db2.gz AIHRFSICNYHJLX-HTQZYQBOSA-N 0 0 181.239 1.247 10 0 ADAERN CC(=O)N[C@@H](C)C(C)(F)F 307606117 346143101 /nfs/dbraw/zinc/14/31/01/346143101.db2.gz ZYEYWKCUBTWNHW-BYPYZUCNSA-N 0 0 151.156 1.166 10 0 ADAERN C[C@H](Nc1c[nH]cn1)[C@H]1CCOC1 307606546 346143112 /nfs/dbraw/zinc/14/31/12/346143112.db2.gz AIHRFSICNYHJLX-YUMQZZPRSA-N 0 0 181.239 1.247 10 0 ADAERN C[C@@H](Nc1c[nH]cn1)[C@H]1CCOC1 307606543 346143115 /nfs/dbraw/zinc/14/31/15/346143115.db2.gz AIHRFSICNYHJLX-SFYZADRCSA-N 0 0 181.239 1.247 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1C(C)(C)C 307607537 346143225 /nfs/dbraw/zinc/14/32/25/346143225.db2.gz CHUGFQYVGSCSSK-GJMOJQLCSA-N 0 0 169.268 1.803 10 0 ADAERN CCOC(=O)c1cnc(N)c(C)c1 307607234 346143234 /nfs/dbraw/zinc/14/32/34/346143234.db2.gz BHMUIZNAYRIQLZ-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN C[C@@H](Nc1nnc(N)o1)C(F)(F)F 307607379 346143247 /nfs/dbraw/zinc/14/32/47/346143247.db2.gz FEJGLTMICHHPRD-UWTATZPHSA-N 0 0 196.132 1.015 10 0 ADAERN CCn1ncnc1[C@@H]1CCC(=O)C1 307607592 346143268 /nfs/dbraw/zinc/14/32/68/346143268.db2.gz CQYJXQOUPZNGOS-SSDOTTSWSA-N 0 0 179.223 1.135 10 0 ADAERN C[C@H](O)C[C@@H](C)N1CCC(F)(F)C1 307607490 346143282 /nfs/dbraw/zinc/14/32/82/346143282.db2.gz BULBLVGYXVRNFL-SFYZADRCSA-N 0 0 193.237 1.487 10 0 ADAERN C[C@@H]1CC(N2C[C@H](O)CO2)C[C@@H](C)C1 307607018 346143323 /nfs/dbraw/zinc/14/33/23/346143323.db2.gz BVOGZEHRCFZJMQ-QXEWZRGKSA-N 0 0 199.294 1.419 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1C(C)(C)C 307607535 346143406 /nfs/dbraw/zinc/14/34/06/346143406.db2.gz CHUGFQYVGSCSSK-CSMHCCOUSA-N 0 0 169.268 1.803 10 0 ADAERN C[C@H](O)C[C@H](C)N1CCC(F)(F)C1 307607491 346143439 /nfs/dbraw/zinc/14/34/39/346143439.db2.gz BULBLVGYXVRNFL-YUMQZZPRSA-N 0 0 193.237 1.487 10 0 ADAERN C/C=C/CNc1ccc(C)nn1 307607043 346143486 /nfs/dbraw/zinc/14/34/86/346143486.db2.gz APGBBKCQPDWNAN-ONEGZZNKSA-N 0 0 163.224 1.773 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@H]1C(C)(C)C 307607536 346143490 /nfs/dbraw/zinc/14/34/90/346143490.db2.gz CHUGFQYVGSCSSK-FXQIFTODSA-N 0 0 169.268 1.803 10 0 ADAERN C[C@@H](O)C[C@@H](C)N1CCC(F)(F)C1 307607488 346143518 /nfs/dbraw/zinc/14/35/18/346143518.db2.gz BULBLVGYXVRNFL-HTQZYQBOSA-N 0 0 193.237 1.487 10 0 ADAERN CCn1ncnc1[C@H]1CCC(=O)C1 307607593 346143541 /nfs/dbraw/zinc/14/35/41/346143541.db2.gz CQYJXQOUPZNGOS-ZETCQYMHSA-N 0 0 179.223 1.135 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@H]1C(C)(C)C 307607534 346143547 /nfs/dbraw/zinc/14/35/47/346143547.db2.gz CHUGFQYVGSCSSK-BIIVOSGPSA-N 0 0 169.268 1.803 10 0 ADAERN C/C=C/CN1CCCc2[nH]nnc21 307607607 346143550 /nfs/dbraw/zinc/14/35/50/346143550.db2.gz BUBBDMZRQYJDCE-NSCUHMNNSA-N 0 0 178.239 1.133 10 0 ADAERN C[C@@H](C[C@@H](C)O)N1CCC(F)(F)C1 307607489 346143638 /nfs/dbraw/zinc/14/36/38/346143638.db2.gz BULBLVGYXVRNFL-JGVFFNPUSA-N 0 0 193.237 1.487 10 0 ADAERN C[C@H](Nc1nnc(N)o1)C(F)(F)F 307607378 346143701 /nfs/dbraw/zinc/14/37/01/346143701.db2.gz FEJGLTMICHHPRD-REOHCLBHSA-N 0 0 196.132 1.015 10 0 ADAERN NC(=O)[C@@H]1CCC[C@@H]1C(F)F 307608048 346144177 /nfs/dbraw/zinc/14/41/77/346144177.db2.gz CKBFKDGXYNQKND-CRCLSJGQSA-N 0 0 163.167 1.153 10 0 ADAERN FC1(CNc2cccnn2)CCC1 307608087 346143818 /nfs/dbraw/zinc/14/38/18/346143818.db2.gz CMEKLFRIQKOYKY-UHFFFAOYSA-N 0 0 181.214 1.781 10 0 ADAERN COCCSC1CCOCC1 307608323 346143855 /nfs/dbraw/zinc/14/38/55/346143855.db2.gz GMBFNFPYECPGKX-UHFFFAOYSA-N 0 0 176.281 1.545 10 0 ADAERN NC(=O)[C@@H]1CCC[C@H]1C(F)F 307608050 346143894 /nfs/dbraw/zinc/14/38/94/346143894.db2.gz CKBFKDGXYNQKND-RFZPGFLSSA-N 0 0 163.167 1.153 10 0 ADAERN NC(=O)[C@H]1CCC[C@H]1C(F)F 307608051 346143899 /nfs/dbraw/zinc/14/38/99/346143899.db2.gz CKBFKDGXYNQKND-UHNVWZDZSA-N 0 0 163.167 1.153 10 0 ADAERN NC(=O)[C@H]1CCC[C@@H]1C(F)F 307608053 346143917 /nfs/dbraw/zinc/14/39/17/346143917.db2.gz CKBFKDGXYNQKND-WHFBIAKZSA-N 0 0 163.167 1.153 10 0 ADAERN C/C=C/C(=O)N1C[C@@H]2CC=CC[C@H]2C1 307608004 346143923 /nfs/dbraw/zinc/14/39/23/346143923.db2.gz DGQLUMKOANBDSY-GGYDMKNQSA-N 0 0 191.274 1.987 10 0 ADAERN O=C(Nc1c[nH]cn1)c1ccsc1 307607959 346144127 /nfs/dbraw/zinc/14/41/27/346144127.db2.gz CVMDHQHVJYKZFV-UHFFFAOYSA-N 0 0 193.231 1.724 10 0 ADAERN CCc1c(N)nnn1[C@H](C)C(C)C 307608973 346144334 /nfs/dbraw/zinc/14/43/34/346144334.db2.gz DSPRNEYBPPNZHW-SSDOTTSWSA-N 0 0 182.271 1.640 10 0 ADAERN CCn1cnc([C@](C)(O)CC)c1 307609122 346144339 /nfs/dbraw/zinc/14/43/39/346144339.db2.gz DKJDDQHXSTUJTL-SECBINFHSA-N 0 0 168.240 1.521 10 0 ADAERN Cc1scc(CNN)c1C 307608922 346144340 /nfs/dbraw/zinc/14/43/40/346144340.db2.gz FQVNVKZUSFLFHD-UHFFFAOYSA-N 0 0 156.254 1.328 10 0 ADAERN CCc1c(N)nnn1[C@@H](C)C(C)C 307608974 346144355 /nfs/dbraw/zinc/14/43/55/346144355.db2.gz DSPRNEYBPPNZHW-ZETCQYMHSA-N 0 0 182.271 1.640 10 0 ADAERN CO[C@H]1CN(c2ncc[nH]2)CC[C@H]1C 307609537 346144398 /nfs/dbraw/zinc/14/43/98/346144398.db2.gz HUQDEGYFDSRSCC-BDAKNGLRSA-N 0 0 195.266 1.271 10 0 ADAERN CCC[C@]1(C2CC2)CC(=O)N1 307608735 346144474 /nfs/dbraw/zinc/14/44/74/346144474.db2.gz DDCJFIFXUBAYIE-SECBINFHSA-N 0 0 153.225 1.455 10 0 ADAERN CCC[C@@]1(C2CC2)CC(=O)N1 307608736 346144562 /nfs/dbraw/zinc/14/45/62/346144562.db2.gz DDCJFIFXUBAYIE-VIFPVBQESA-N 0 0 153.225 1.455 10 0 ADAERN CCn1cnc([C@@](C)(O)CC)c1 307609123 346144595 /nfs/dbraw/zinc/14/45/95/346144595.db2.gz DKJDDQHXSTUJTL-VIFPVBQESA-N 0 0 168.240 1.521 10 0 ADAERN CO[C@H]1CN(c2ncc[nH]2)CC[C@@H]1C 307609540 346144860 /nfs/dbraw/zinc/14/48/60/346144860.db2.gz HUQDEGYFDSRSCC-IUCAKERBSA-N 0 0 195.266 1.271 10 0 ADAERN CCc1noc(C(C)(C)OC)n1 307610142 346144913 /nfs/dbraw/zinc/14/49/13/346144913.db2.gz IKQAZVYZQUJKFR-UHFFFAOYSA-N 0 0 170.212 1.514 10 0 ADAERN CO[C@@H]1CN(c2ncc[nH]2)CC[C@@H]1C 307609539 346144917 /nfs/dbraw/zinc/14/49/17/346144917.db2.gz HUQDEGYFDSRSCC-DTWKUNHWSA-N 0 0 195.266 1.271 10 0 ADAERN CO[C@@H]1CN(c2ncc[nH]2)CC[C@H]1C 307609542 346145069 /nfs/dbraw/zinc/14/50/69/346145069.db2.gz HUQDEGYFDSRSCC-RKDXNWHRSA-N 0 0 195.266 1.271 10 0 ADAERN Cc1c(C(N)=O)ccc(Cl)c1F 307609623 346145182 /nfs/dbraw/zinc/14/51/82/346145182.db2.gz FJPBFXBZWSMDMD-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN CC(C)=CCN1NC(=O)C[C@H]1C 307610889 346145388 /nfs/dbraw/zinc/14/53/88/346145388.db2.gz HYLJJWJKEOZUSF-MRVPVSSYSA-N 0 0 168.240 1.078 10 0 ADAERN NC(=S)N[C@H]1CC12CCCCC2 307611123 346145440 /nfs/dbraw/zinc/14/54/40/346145440.db2.gz JGPXPWPPHZZPEP-ZETCQYMHSA-N 0 0 184.308 1.542 10 0 ADAERN CC(C)=CCN1NC(=O)C[C@@H]1C 307610892 346145454 /nfs/dbraw/zinc/14/54/54/346145454.db2.gz HYLJJWJKEOZUSF-QMMMGPOBSA-N 0 0 168.240 1.078 10 0 ADAERN CCC(C)(C)NC(=O)N(C)O 307610403 346145522 /nfs/dbraw/zinc/14/55/22/346145522.db2.gz HNAIDCMKKVLFLH-UHFFFAOYSA-N 0 0 160.217 1.206 10 0 ADAERN CNC(=S)N[C@@H]1[C@H]2CCCC[C@H]21 307611147 346145552 /nfs/dbraw/zinc/14/55/52/346145552.db2.gz IKUBAPBHOSPBCY-JIGDXULJSA-N 0 0 184.308 1.269 10 0 ADAERN CC(C)NC(=O)c1cnc(Cl)nc1 307611099 346145578 /nfs/dbraw/zinc/14/55/78/346145578.db2.gz IGXCPQGANFJQFR-UHFFFAOYSA-N 0 0 199.641 1.268 10 0 ADAERN NC(=S)N[C@@H]1CC12CCCCC2 307611122 346145665 /nfs/dbraw/zinc/14/56/65/346145665.db2.gz JGPXPWPPHZZPEP-SSDOTTSWSA-N 0 0 184.308 1.542 10 0 ADAERN CC(C)C1CC2(COCC[NH2+]2)C1 307611365 346145953 /nfs/dbraw/zinc/14/59/53/346145953.db2.gz JHAHQKCIYMEGAY-UHFFFAOYSA-N 0 0 169.268 1.411 10 0 ADAERN CC[C@@H]1CCC[C@H]1n1cc[nH]c1=O 307611382 346145966 /nfs/dbraw/zinc/14/59/66/346145966.db2.gz JICTWUZPUHDFBR-RKDXNWHRSA-N 0 0 180.251 1.928 10 0 ADAERN Cc1c(N)cccc1OC(N)=O 307611361 346146026 /nfs/dbraw/zinc/14/60/26/346146026.db2.gz JGRXAQXRVAGHRN-UHFFFAOYSA-N 0 0 166.180 1.035 10 0 ADAERN CC[C@H]1CCC[C@H]1n1cc[nH]c1=O 307611380 346146141 /nfs/dbraw/zinc/14/61/41/346146141.db2.gz JICTWUZPUHDFBR-DTWKUNHWSA-N 0 0 180.251 1.928 10 0 ADAERN CCn1cnc([C@H](N)C(C)(F)F)c1 307612029 346146430 /nfs/dbraw/zinc/14/64/30/346146430.db2.gz KFFJTCZKCJWDQW-ZETCQYMHSA-N 0 0 189.209 1.558 10 0 ADAERN Clc1nccc2n[nH]cc12 307612293 346146521 /nfs/dbraw/zinc/14/65/21/346146521.db2.gz HXNZBHPOYSMEAJ-UHFFFAOYSA-N 0 0 153.572 1.563 10 0 ADAERN O=c1cncc(NC2CCCC2)[nH]1 307612634 346146533 /nfs/dbraw/zinc/14/65/33/346146533.db2.gz ILUFGQZBDCPHOS-UHFFFAOYSA-N 0 0 179.223 1.537 10 0 ADAERN O=C(c1cccc(F)c1F)N1CC1 307612063 346146547 /nfs/dbraw/zinc/14/65/47/346146547.db2.gz KLKYHMFCZQRAQM-UHFFFAOYSA-N 0 0 183.157 1.421 10 0 ADAERN CCn1cnc([C@@H](N)C(C)(F)F)c1 307612028 346146585 /nfs/dbraw/zinc/14/65/85/346146585.db2.gz KFFJTCZKCJWDQW-SSDOTTSWSA-N 0 0 189.209 1.558 10 0 ADAERN O=C1CCC[C@@H]1Cc1csnn1 307611905 346146596 /nfs/dbraw/zinc/14/65/96/346146596.db2.gz HGXHEIRJCHXZLK-ZCFIWIBFSA-N 0 0 182.248 1.450 10 0 ADAERN CCn1ccn(CC2(C)CCC2)c1=O 307612273 346146609 /nfs/dbraw/zinc/14/66/09/346146609.db2.gz HUQGFMQVVMIZBV-UHFFFAOYSA-N 0 0 194.278 1.860 10 0 ADAERN O=c1[nH]cncc1C1=CCCC1 307612016 346146650 /nfs/dbraw/zinc/14/66/50/346146650.db2.gz KDKZYQIUDLCZTP-UHFFFAOYSA-N 0 0 162.192 1.750 10 0 ADAERN c1cncc(NCc2cocn2)c1 307613115 346146876 /nfs/dbraw/zinc/14/68/76/346146876.db2.gz LENUVOFIBKIGGK-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CC[C@H](C)[C@](C)(O)c1cn(C)nn1 307613317 346146885 /nfs/dbraw/zinc/14/68/85/346146885.db2.gz JOYXCDFNMOICJI-CBAPKCEASA-N 0 0 183.255 1.069 10 0 ADAERN C[C@H](Nc1ccc(=O)[nH]c1)C1CC1 307612998 346146923 /nfs/dbraw/zinc/14/69/23/346146923.db2.gz IZNFRXNGBIUFKO-ZETCQYMHSA-N 0 0 178.235 1.998 10 0 ADAERN C[C@@H](Nc1ccc(=O)[nH]c1)C1CC1 307612996 346146937 /nfs/dbraw/zinc/14/69/37/346146937.db2.gz IZNFRXNGBIUFKO-SSDOTTSWSA-N 0 0 178.235 1.998 10 0 ADAERN CN(C)C(=O)Oc1c(N)cccc1F 307613159 346146978 /nfs/dbraw/zinc/14/69/78/346146978.db2.gz LHXJRVMHFIYESR-UHFFFAOYSA-N 0 0 198.197 1.468 10 0 ADAERN CC[C@H](C)[C@@](C)(O)c1cn(C)nn1 307613318 346146981 /nfs/dbraw/zinc/14/69/81/346146981.db2.gz JOYXCDFNMOICJI-IONNQARKSA-N 0 0 183.255 1.069 10 0 ADAERN CC[C@@H](C)[C@](C)(O)c1cn(C)nn1 307613316 346146996 /nfs/dbraw/zinc/14/69/96/346146996.db2.gz JOYXCDFNMOICJI-APPZFPTMSA-N 0 0 183.255 1.069 10 0 ADAERN CC[C@@H](C)[C@@](C)(O)c1cn(C)nn1 307613319 346147015 /nfs/dbraw/zinc/14/70/15/346147015.db2.gz JOYXCDFNMOICJI-VXNVDRBHSA-N 0 0 183.255 1.069 10 0 ADAERN CC(F)(F)C(=O)N[C@@H]1CC1(C)C 307613303 346147078 /nfs/dbraw/zinc/14/70/78/346147078.db2.gz JMQGBPCMYHRYTH-RXMQYKEDSA-N 0 0 177.194 1.556 10 0 ADAERN CCN(c1ncc(F)c(N)n1)C1CC1 307612760 346147102 /nfs/dbraw/zinc/14/71/02/346147102.db2.gz LIOSGGFCVMGIRI-UHFFFAOYSA-N 0 0 196.229 1.187 10 0 ADAERN S=c1[nH]c(-c2ccncn2)cs1 307613132 346147129 /nfs/dbraw/zinc/14/71/29/346147129.db2.gz LFRBIKIXCYCMKW-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN Cc1nc(C)c(CNC=O)s1 307613243 346147176 /nfs/dbraw/zinc/14/71/76/346147176.db2.gz MGMVBFBYBHSXJW-UHFFFAOYSA-N 0 0 170.237 1.006 10 0 ADAERN CCNC(=O)[C@H]1CCC1(F)F 307613940 346147290 /nfs/dbraw/zinc/14/72/90/346147290.db2.gz KKDMNPNQWBUJSJ-RXMQYKEDSA-N 0 0 163.167 1.168 10 0 ADAERN CCNC(=O)[C@@H]1CCC1(F)F 307613941 346147330 /nfs/dbraw/zinc/14/73/30/346147330.db2.gz KKDMNPNQWBUJSJ-YFKPBYRVSA-N 0 0 163.167 1.168 10 0 ADAERN NCc1noc(-c2cc(Cl)c[nH]2)n1 307613960 346147598 /nfs/dbraw/zinc/14/75/98/346147598.db2.gz KLWZTOJHOTYHOF-UHFFFAOYSA-N 0 0 198.613 1.177 10 0 ADAERN COCc1cnc(Cl)nc1C 307614340 346147914 /nfs/dbraw/zinc/14/79/14/346147914.db2.gz NGCWFMXCGNAEPX-UHFFFAOYSA-N 0 0 172.615 1.585 10 0 ADAERN CC(C)CNC1=NO[C@H](C)C1 307614538 346147955 /nfs/dbraw/zinc/14/79/55/346147955.db2.gz NILBGYVXSMFVQV-SSDOTTSWSA-N 0 0 156.229 1.354 10 0 ADAERN Cc1c[nH]cc1C(=O)N1CC(C)C1 307614371 346148061 /nfs/dbraw/zinc/14/80/61/346148061.db2.gz LBAIWVABPHYETC-UHFFFAOYSA-N 0 0 178.235 1.415 10 0 ADAERN Cc1nnc(C(=O)C(C)(C)F)n1C 307614427 346148165 /nfs/dbraw/zinc/14/81/65/346148165.db2.gz OHICBSKGEBAHFI-UHFFFAOYSA-N 0 0 185.202 1.054 10 0 ADAERN CC(C)CNC1=NO[C@@H](C)C1 307614539 346148240 /nfs/dbraw/zinc/14/82/40/346148240.db2.gz NILBGYVXSMFVQV-ZETCQYMHSA-N 0 0 156.229 1.354 10 0 ADAERN C[C@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]1C 307614732 346148632 /nfs/dbraw/zinc/14/86/32/346148632.db2.gz LPOAPAKRAPRZMJ-XAVMHZPKSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)[C@H]1C[C@H]1C 307614731 346148646 /nfs/dbraw/zinc/14/86/46/346148646.db2.gz LPOAPAKRAPRZMJ-HXFLIBJXSA-N 0 0 167.252 1.557 10 0 ADAERN CC[C@@](C)(O)c1csc(OC)n1 307614783 346148687 /nfs/dbraw/zinc/14/86/87/346148687.db2.gz LUVOUZBJGANOAM-MRVPVSSYSA-N 0 0 187.264 1.769 10 0 ADAERN CNc1nc(OC)c2sccc2n1 307615559 346149107 /nfs/dbraw/zinc/14/91/07/346149107.db2.gz QENBFGHFAYVVFO-UHFFFAOYSA-N 0 0 195.247 1.742 10 0 ADAERN CC(C)n1ccnc(Cl)c1=O 307615834 346149118 /nfs/dbraw/zinc/14/91/18/346149118.db2.gz MZEOLTBFQRMAGP-UHFFFAOYSA-N 0 0 172.615 1.478 10 0 ADAERN C[C@@H]1C(=O)NC(C)(C)[C@]12CC[C@H]2C 307616159 346149123 /nfs/dbraw/zinc/14/91/23/346149123.db2.gz RWFVMYRLAGVGKT-XLDPMVHQSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C(=O)NC(C)(C)[C@@]12CC[C@H]2C 307616157 346149126 /nfs/dbraw/zinc/14/91/26/346149126.db2.gz RWFVMYRLAGVGKT-SOCHQFKDSA-N 0 0 181.279 1.947 10 0 ADAERN CCC1(CC)CC[C@H](CO)O1 307615760 346149135 /nfs/dbraw/zinc/14/91/35/346149135.db2.gz QWUJIYWIFXGLOZ-MRVPVSSYSA-N 0 0 158.241 1.717 10 0 ADAERN CCC(=O)c1cnoc1CC 307615737 346149138 /nfs/dbraw/zinc/14/91/38/346149138.db2.gz QUFDTRBSBDKGKW-UHFFFAOYSA-N 0 0 153.181 1.830 10 0 ADAERN CNc1n[nH]c(C)c1CC(C)C 307615925 346149179 /nfs/dbraw/zinc/14/91/79/346149179.db2.gz NJGBYQAGMGCQAF-UHFFFAOYSA-N 0 0 167.256 1.958 10 0 ADAERN C[C@@H]1CC[C@@]12[C@@H](C)C(=O)NC2(C)C 307616156 346149223 /nfs/dbraw/zinc/14/92/23/346149223.db2.gz RWFVMYRLAGVGKT-FYBVGQRMSA-N 0 0 181.279 1.947 10 0 ADAERN NC(=O)NCc1cc2c(s1)CCC2 307615784 346149225 /nfs/dbraw/zinc/14/92/25/346149225.db2.gz QZIOJPXOZVDDES-UHFFFAOYSA-N 0 0 196.275 1.405 10 0 ADAERN C[C@]1([C@H]2CCCO2)CC(=O)CCO1 307615883 346149232 /nfs/dbraw/zinc/14/92/32/346149232.db2.gz NFANJNDMNWSFMC-NXEZZACHSA-N 0 0 184.235 1.304 10 0 ADAERN C[C@]1([C@@H]2CCCO2)CC(=O)CCO1 307615885 346149269 /nfs/dbraw/zinc/14/92/69/346149269.db2.gz NFANJNDMNWSFMC-VHSXEESVSA-N 0 0 184.235 1.304 10 0 ADAERN CCC1(CC)CC[C@@H](CO)O1 307615762 346149271 /nfs/dbraw/zinc/14/92/71/346149271.db2.gz QWUJIYWIFXGLOZ-QMMMGPOBSA-N 0 0 158.241 1.717 10 0 ADAERN C[C@@]1([C@H]2CCCO2)CC(=O)CCO1 307615886 346149297 /nfs/dbraw/zinc/14/92/97/346149297.db2.gz NFANJNDMNWSFMC-ZJUUUORDSA-N 0 0 184.235 1.304 10 0 ADAERN CC1(C)CCC=C1C(=O)N1CCC1 307616113 346149313 /nfs/dbraw/zinc/14/93/13/346149313.db2.gz RPZDJTWGMDMWCR-UHFFFAOYSA-N 0 0 179.263 1.965 10 0 ADAERN C[C@@H]1CC[C@]12[C@@H](C)C(=O)NC2(C)C 307616158 346149336 /nfs/dbraw/zinc/14/93/36/346149336.db2.gz RWFVMYRLAGVGKT-VHSKPIJISA-N 0 0 181.279 1.947 10 0 ADAERN Cc1cc(N)c(OC(N)=O)cc1F 307615661 346149343 /nfs/dbraw/zinc/14/93/43/346149343.db2.gz OUZIPEVCMLPKQN-UHFFFAOYSA-N 0 0 184.170 1.174 10 0 ADAERN C[C@@]1([C@@H]2CCCO2)CC(=O)CCO1 307615884 346149366 /nfs/dbraw/zinc/14/93/66/346149366.db2.gz NFANJNDMNWSFMC-UWVGGRQHSA-N 0 0 184.235 1.304 10 0 ADAERN COC(C)(C)c1ccnc(=O)[nH]1 307616250 346149688 /nfs/dbraw/zinc/14/96/88/346149688.db2.gz PSUTZGLVPUNOHR-UHFFFAOYSA-N 0 0 168.196 1.064 10 0 ADAERN COc1c(C)nc([C@@H](C)OC)nc1N 307616850 346149715 /nfs/dbraw/zinc/14/97/15/346149715.db2.gz QXTXSSOYCRYKRB-ZCFIWIBFSA-N 0 0 197.238 1.083 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@@H]2C[C@@H]21 307617102 346149716 /nfs/dbraw/zinc/14/97/16/346149716.db2.gz UYCDYZALLIKVIX-GJMOJQLCSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@H]1CCC[C@]1(O)c1cn(C)cn1 307617081 346149726 /nfs/dbraw/zinc/14/97/26/346149726.db2.gz UWDSRWISURZOAE-WCBMZHEXSA-N 0 0 180.251 1.428 10 0 ADAERN O=C(c1cscn1)c1csnn1 307616764 346149754 /nfs/dbraw/zinc/14/97/54/346149754.db2.gz QNMNJHLOHPNIIH-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN COc1c(C)nc([C@H](C)OC)nc1N 307616849 346149765 /nfs/dbraw/zinc/14/97/65/346149765.db2.gz QXTXSSOYCRYKRB-LURJTMIESA-N 0 0 197.238 1.083 10 0 ADAERN CCn1c(N)nc2cc(F)cnc21 307616434 346149766 /nfs/dbraw/zinc/14/97/66/346149766.db2.gz SMJWWTQGUIKSBH-UHFFFAOYSA-N 0 0 180.186 1.173 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@H]2C[C@H]21 307617103 346149770 /nfs/dbraw/zinc/14/97/70/346149770.db2.gz UYCDYZALLIKVIX-XLPZGREQSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@@H]1CCC[C@@]1(O)c1cn(C)cn1 307617080 346149802 /nfs/dbraw/zinc/14/98/02/346149802.db2.gz UWDSRWISURZOAE-SCZZXKLOSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H]1CCC[C@]1(O)c1cn(C)cn1 307617079 346149847 /nfs/dbraw/zinc/14/98/47/346149847.db2.gz UWDSRWISURZOAE-PSASIEDQSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@H]1CCC[C@@]1(O)c1cn(C)cn1 307617082 346149858 /nfs/dbraw/zinc/14/98/58/346149858.db2.gz UWDSRWISURZOAE-WPRPVWTQSA-N 0 0 180.251 1.428 10 0 ADAERN CC(C)(CO)Sc1cc(N)ccn1 307616941 346149862 /nfs/dbraw/zinc/14/98/62/346149862.db2.gz URSHATCILJXDGA-UHFFFAOYSA-N 0 0 198.291 1.527 10 0 ADAERN Cc1ncc(C(=O)C(C)(C)F)n1C 307617519 346150181 /nfs/dbraw/zinc/15/01/81/346150181.db2.gz WCLBMVVGJWYLLH-UHFFFAOYSA-N 0 0 184.214 1.659 10 0 ADAERN C=Cc1c(Br)nnn1C 307617670 346150417 /nfs/dbraw/zinc/15/04/17/346150417.db2.gz WVPNLAMWPUUSSN-UHFFFAOYSA-N 0 0 188.028 1.221 10 0 ADAERN O=c1ncc(-c2cscn2)c[nH]1 307617808 346150423 /nfs/dbraw/zinc/15/04/23/346150423.db2.gz RZCLEJZVRICOAG-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN CCNC(=O)N[C@H]1[C@H]2CCC[C@H]21 307617405 346150471 /nfs/dbraw/zinc/15/04/71/346150471.db2.gz VXZHZFUBUHBXRU-RNLVFQAGSA-N 0 0 168.240 1.104 10 0 ADAERN CC(C)C[C@H]1NC(=O)C12CCC2 307618554 346150724 /nfs/dbraw/zinc/15/07/24/346150724.db2.gz YZLLHYRGXXMQEY-MRVPVSSYSA-N 0 0 167.252 1.701 10 0 ADAERN Nc1cccnc1-c1ccns1 307618017 346150781 /nfs/dbraw/zinc/15/07/81/346150781.db2.gz XYZPCFURPCBKRL-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN COc1ncc([C@H](N)C(F)F)s1 307618486 346150785 /nfs/dbraw/zinc/15/07/85/346150785.db2.gz YXRVJJFSSHWDFN-BYPYZUCNSA-N 0 0 194.206 1.417 10 0 ADAERN Cc1cc(C=O)c(C)n1CCF 307618683 346150816 /nfs/dbraw/zinc/15/08/16/346150816.db2.gz ZTVXQPBFOLBQFH-UHFFFAOYSA-N 0 0 169.199 1.887 10 0 ADAERN O=C(CC1=CCCC1)[C@@H]1[C@H]2COC[C@H]21 307618238 346150910 /nfs/dbraw/zinc/15/09/10/346150910.db2.gz YQQCGLCHIBSFSV-IAZYJMLFSA-N 0 0 192.258 1.948 10 0 ADAERN C[C@@H]1N=C(NCC(F)F)S[C@@H]1C 307618762 346150914 /nfs/dbraw/zinc/15/09/14/346150914.db2.gz UNEVZJFONKJFKH-CRCLSJGQSA-N 0 0 194.250 1.721 10 0 ADAERN CC(C)C[C@@H]1NC(=O)C12CCC2 307618557 346150924 /nfs/dbraw/zinc/15/09/24/346150924.db2.gz YZLLHYRGXXMQEY-QMMMGPOBSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1cc(N)cnc1N1CC=CC1 307618206 346150991 /nfs/dbraw/zinc/15/09/91/346150991.db2.gz YMILELNLAHOCHY-UHFFFAOYSA-N 0 0 175.235 1.348 10 0 ADAERN C[C@@H]1N=C(NCC(F)F)S[C@H]1C 307618765 346151022 /nfs/dbraw/zinc/15/10/22/346151022.db2.gz UNEVZJFONKJFKH-WHFBIAKZSA-N 0 0 194.250 1.721 10 0 ADAERN CN[C@@H](c1cnc(C)n1C)C(F)F 307619063 346151212 /nfs/dbraw/zinc/15/12/12/346151212.db2.gz VXIPLBFSEHQNSS-ZETCQYMHSA-N 0 0 189.209 1.254 10 0 ADAERN Cc1sc(=O)[nH]c1[C@H](C)O 307619079 346151273 /nfs/dbraw/zinc/15/12/73/346151273.db2.gz WBBUVWHLBMVVNJ-VKHMYHEASA-N 0 0 159.210 1.210 10 0 ADAERN Cc1nc(C(C)(C)F)n[nH]1 307618806 346151295 /nfs/dbraw/zinc/15/12/95/346151295.db2.gz USGXNGGZGKIXIZ-UHFFFAOYSA-N 0 0 143.165 1.318 10 0 ADAERN C[C@@H](Nc1ncns1)C(F)F 307619401 346151332 /nfs/dbraw/zinc/15/13/32/346151332.db2.gz XNQRPVQQETZFNP-GSVOUGTGSA-N 0 0 179.195 1.604 10 0 ADAERN CN[C@H](c1cnc(C)n1C)C(F)F 307619062 346151339 /nfs/dbraw/zinc/15/13/39/346151339.db2.gz VXIPLBFSEHQNSS-SSDOTTSWSA-N 0 0 189.209 1.254 10 0 ADAERN C[C@H](Nc1ncns1)C(F)F 307619402 346151359 /nfs/dbraw/zinc/15/13/59/346151359.db2.gz XNQRPVQQETZFNP-VKHMYHEASA-N 0 0 179.195 1.604 10 0 ADAERN Cc1sc(=O)[nH]c1[C@@H](C)O 307619078 346151485 /nfs/dbraw/zinc/15/14/85/346151485.db2.gz WBBUVWHLBMVVNJ-GSVOUGTGSA-N 0 0 159.210 1.210 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)C[C@@H](C)S1 307619419 346151506 /nfs/dbraw/zinc/15/15/06/346151506.db2.gz XPFYXVIZBXCTRB-OCAPTIKFSA-N 0 0 197.307 1.740 10 0 ADAERN C[C@@H]1CN(c2ncc[nH]2)C[C@@H](C)S1 307619418 346151516 /nfs/dbraw/zinc/15/15/16/346151516.db2.gz XPFYXVIZBXCTRB-HTQZYQBOSA-N 0 0 197.307 1.740 10 0 ADAERN CO[C@@H](C)[C@@H](N)c1nccs1 307619917 346151655 /nfs/dbraw/zinc/15/16/55/346151655.db2.gz ZVWRUIDBNOVPPY-NTSWFWBYSA-N 0 0 172.253 1.178 10 0 ADAERN CO[C@H](C)[C@@H](N)c1nccs1 307619918 346151662 /nfs/dbraw/zinc/15/16/62/346151662.db2.gz ZVWRUIDBNOVPPY-PHDIDXHHSA-N 0 0 172.253 1.178 10 0 ADAERN Cc1ccc(N[S@](C)=O)cc1O 307619440 346151679 /nfs/dbraw/zinc/15/16/79/346151679.db2.gz XSWDNRHXDBFIHH-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN Nc1nc(-c2cscn2)ncc1F 307620144 346151692 /nfs/dbraw/zinc/15/16/92/346151692.db2.gz FHYOVQUWSUFUFV-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN CCNc1ncc2c(n1)CCSC2 307619882 346151706 /nfs/dbraw/zinc/15/17/06/346151706.db2.gz ZRSCBPKSZGGQJT-UHFFFAOYSA-N 0 0 195.291 1.698 10 0 ADAERN CO[C@@H](C)[C@H](N)c1nccs1 307619920 346151714 /nfs/dbraw/zinc/15/17/14/346151714.db2.gz ZVWRUIDBNOVPPY-WDSKDSINSA-N 0 0 172.253 1.178 10 0 ADAERN Cn1ccnc1-c1c[nH]c(=S)[nH]1 307619633 346151778 /nfs/dbraw/zinc/15/17/78/346151778.db2.gz YPQKPXCCUZOYCZ-UHFFFAOYSA-N 0 0 180.236 1.473 10 0 ADAERN ONCc1cccc(O)c1Cl 307619990 346151810 /nfs/dbraw/zinc/15/18/10/346151810.db2.gz ALPYSIPGZMQFNM-UHFFFAOYSA-N 0 0 173.599 1.524 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)C[C@H](C)S1 307619420 346151835 /nfs/dbraw/zinc/15/18/35/346151835.db2.gz XPFYXVIZBXCTRB-YUMQZZPRSA-N 0 0 197.307 1.740 10 0 ADAERN Cc1ccc(N[S@@](C)=O)cc1O 307619439 346151885 /nfs/dbraw/zinc/15/18/85/346151885.db2.gz XSWDNRHXDBFIHH-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN Cc1ccc(CC(=O)NC2CC2)s1 307619727 346151970 /nfs/dbraw/zinc/15/19/70/346151970.db2.gz ZAQXJXJONDDUIN-UHFFFAOYSA-N 0 0 195.287 1.878 10 0 ADAERN CO[C@H](C)[C@H](N)c1nccs1 307619919 346151979 /nfs/dbraw/zinc/15/19/79/346151979.db2.gz ZVWRUIDBNOVPPY-RITPCOANSA-N 0 0 172.253 1.178 10 0 ADAERN COC1CN(c2ccc(F)cc2N)C1 307619429 346151992 /nfs/dbraw/zinc/15/19/92/346151992.db2.gz XRKMVVAQSNOKKA-UHFFFAOYSA-N 0 0 196.225 1.243 10 0 ADAERN COc1nc([C@@H]2CCC(=O)C2)cs1 307620606 346152215 /nfs/dbraw/zinc/15/22/15/346152215.db2.gz BANIBQZWPFUSHM-ZCFIWIBFSA-N 0 0 197.259 1.988 10 0 ADAERN Cn1cnc([C@@H]2CCC(=O)C2)c1 307620755 346152217 /nfs/dbraw/zinc/15/22/17/346152217.db2.gz OFRSMNSLHYQYSM-SSDOTTSWSA-N 0 0 164.208 1.257 10 0 ADAERN Cn1cnc([C@H]2CCC(=O)C2)c1 307620758 346152254 /nfs/dbraw/zinc/15/22/54/346152254.db2.gz OFRSMNSLHYQYSM-ZETCQYMHSA-N 0 0 164.208 1.257 10 0 ADAERN CCc1cc(N)nnc1C1CC1 307620989 346152301 /nfs/dbraw/zinc/15/23/01/346152301.db2.gz OMZKIOOZGCUMRV-UHFFFAOYSA-N 0 0 163.224 1.499 10 0 ADAERN COC(=O)Cc1cc(C)cc(C)c1O 307620278 346152330 /nfs/dbraw/zinc/15/23/30/346152330.db2.gz IMHYAMZZUUBVCC-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN CC(C)CCC(=O)N(C)C#N 307621331 346152343 /nfs/dbraw/zinc/15/23/43/346152343.db2.gz BWYVLXPOQMGVMO-UHFFFAOYSA-N 0 0 154.213 1.362 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1CC(C)C 307621621 346152956 /nfs/dbraw/zinc/15/29/56/346152956.db2.gz KAMSBHVFJYWXBG-PSASIEDQSA-N 0 0 169.268 1.947 10 0 ADAERN [O-]c1ccc(C2=[NH+]CCCN2)cc1F 307621862 346152885 /nfs/dbraw/zinc/15/28/85/346152885.db2.gz PCQYLSMBZFJGRU-UHFFFAOYSA-N 0 0 194.209 1.271 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1CC(C)C 307621624 346152902 /nfs/dbraw/zinc/15/29/02/346152902.db2.gz KAMSBHVFJYWXBG-WPRPVWTQSA-N 0 0 169.268 1.947 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1ccnc(Cl)n1 307622528 346152979 /nfs/dbraw/zinc/15/29/79/346152979.db2.gz QCTWVQNMBPRKDV-PHDIDXHHSA-N 0 0 199.641 1.065 10 0 ADAERN Cn1ccc(Cn2ccc(Cl)n2)n1 307621925 346153151 /nfs/dbraw/zinc/15/31/51/346153151.db2.gz PFGQQIHMWAQYIB-UHFFFAOYSA-N 0 0 196.641 1.318 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1CC(C)C 307621622 346153177 /nfs/dbraw/zinc/15/31/77/346153177.db2.gz KAMSBHVFJYWXBG-SCZZXKLOSA-N 0 0 169.268 1.947 10 0 ADAERN CC[C@]1(C2CCC2)COC(N)=N1 307622974 346153511 /nfs/dbraw/zinc/15/35/11/346153511.db2.gz DEHVTWIWCQASKQ-SECBINFHSA-N 0 0 168.240 1.280 10 0 ADAERN CCc1ccn(-c2cccnc2)n1 307622687 346153514 /nfs/dbraw/zinc/15/35/14/346153514.db2.gz CYQYXMZCSPAKIC-UHFFFAOYSA-N 0 0 173.219 1.830 10 0 ADAERN Cc1nccn1CC1=NC(=O)CS1 307622956 346153533 /nfs/dbraw/zinc/15/35/33/346153533.db2.gz DBENADNHWVBNHP-UHFFFAOYSA-N 0 0 195.247 1.402 10 0 ADAERN CC(C)[C@H](C)C(=O)[C@H]1CN(C)CCO1 307623321 346153546 /nfs/dbraw/zinc/15/35/46/346153546.db2.gz LXMJHBJXMSZDTN-VHSXEESVSA-N 0 0 199.294 1.178 10 0 ADAERN CNc1nc(CN2CCCC2)cs1 307622946 346153553 /nfs/dbraw/zinc/15/35/53/346153553.db2.gz QGTZFMYOXBSPBG-UHFFFAOYSA-N 0 0 197.307 1.781 10 0 ADAERN CC1CN(C(=O)c2cccs2)C1 307623092 346153556 /nfs/dbraw/zinc/15/35/56/346153556.db2.gz QPPWWACNUMMQOI-UHFFFAOYSA-N 0 0 181.260 1.840 10 0 ADAERN CC(C)[C@H](C)C(=O)[C@@H]1CN(C)CCO1 307623319 346153564 /nfs/dbraw/zinc/15/35/64/346153564.db2.gz LXMJHBJXMSZDTN-UWVGGRQHSA-N 0 0 199.294 1.178 10 0 ADAERN CC(C)[C@@H](C)C(=O)[C@H]1CN(C)CCO1 307623316 346153588 /nfs/dbraw/zinc/15/35/88/346153588.db2.gz LXMJHBJXMSZDTN-NXEZZACHSA-N 0 0 199.294 1.178 10 0 ADAERN CC(C)[C@H](C)C1(F)C[NH2+]C1 307622751 346153620 /nfs/dbraw/zinc/15/36/20/346153620.db2.gz LLPDPRSLHOYKKU-ZETCQYMHSA-N 0 0 145.221 1.590 10 0 ADAERN CC(C)[C@@H](C)C(=O)[C@@H]1CN(C)CCO1 307623324 346153663 /nfs/dbraw/zinc/15/36/63/346153663.db2.gz LXMJHBJXMSZDTN-ZJUUUORDSA-N 0 0 199.294 1.178 10 0 ADAERN CC(C)C1(N2CCNC2=O)CC1 307623432 346153688 /nfs/dbraw/zinc/15/36/88/346153688.db2.gz DPLABWAUHOFGIZ-UHFFFAOYSA-N 0 0 168.240 1.200 10 0 ADAERN CC[C@@]1(C2CCC2)COC(N)=N1 307622976 346153701 /nfs/dbraw/zinc/15/37/01/346153701.db2.gz DEHVTWIWCQASKQ-VIFPVBQESA-N 0 0 168.240 1.280 10 0 ADAERN O=c1cnc(-c2ccc[nH]2)c[nH]1 307623832 346154154 /nfs/dbraw/zinc/15/41/54/346154154.db2.gz RDPBHRQBQRVJHK-UHFFFAOYSA-N 0 0 161.164 1.177 10 0 ADAERN CCCc1noc(COC)n1 307624107 346154254 /nfs/dbraw/zinc/15/42/54/346154254.db2.gz FGEYOBKAPVBTTF-UHFFFAOYSA-N 0 0 156.185 1.169 10 0 ADAERN Cc1[nH]c2onc(C)c2c(=O)c1C 307624288 346154325 /nfs/dbraw/zinc/15/43/25/346154325.db2.gz INZSLLNUVOBBIA-UHFFFAOYSA-N 0 0 178.191 1.854 10 0 ADAERN NC(=O)Nc1nccc2sccc12 307624650 346154668 /nfs/dbraw/zinc/15/46/68/346154668.db2.gz RWNVBTYOAAOQIG-UHFFFAOYSA-N 0 0 193.231 1.787 10 0 ADAERN Cn1cncc1C(=O)c1cscn1 307625228 346154678 /nfs/dbraw/zinc/15/46/78/346154678.db2.gz JGTDGUIXXDFJFM-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ncc(N)cn1 307624892 346154697 /nfs/dbraw/zinc/15/46/97/346154697.db2.gz JCJSDBPEQRKNPO-SVRRBLITSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ncc(N)cn1 307624890 346154744 /nfs/dbraw/zinc/15/47/44/346154744.db2.gz JCJSDBPEQRKNPO-HTRCEHHLSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ncc(N)cn1 307624891 346154833 /nfs/dbraw/zinc/15/48/33/346154833.db2.gz JCJSDBPEQRKNPO-POYBYMJQSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ncc(N)cn1 307624893 346154879 /nfs/dbraw/zinc/15/48/79/346154879.db2.gz JCJSDBPEQRKNPO-XPUUQOCRSA-N 0 0 178.239 1.269 10 0 ADAERN CCC(=O)c1ccc(C)nn1 307626071 346155082 /nfs/dbraw/zinc/15/50/82/346155082.db2.gz PYEMCMJHZCQJGS-UHFFFAOYSA-N 0 0 150.181 1.378 10 0 ADAERN Nc1cc(F)c(NCCF)c(F)c1 307625905 346155116 /nfs/dbraw/zinc/15/51/16/346155116.db2.gz PQAWNKOMYKNCOF-UHFFFAOYSA-N 0 0 190.168 1.928 10 0 ADAERN CCCn1nncc1N1CCCC1 307626356 346155160 /nfs/dbraw/zinc/15/51/60/346155160.db2.gz HPRGWSLQSBRMRP-UHFFFAOYSA-N 0 0 180.255 1.288 10 0 ADAERN CCCCS[C@H]1CCNC1=O 307626028 346155205 /nfs/dbraw/zinc/15/52/05/346155205.db2.gz HERPNOLYGPYCHU-ZETCQYMHSA-N 0 0 173.281 1.408 10 0 ADAERN CCCCS[C@@H]1CCNC1=O 307626027 346155222 /nfs/dbraw/zinc/15/52/22/346155222.db2.gz HERPNOLYGPYCHU-SSDOTTSWSA-N 0 0 173.281 1.408 10 0 ADAERN CC[S@@](=O)Nc1ccc(O)c(C)c1 307626573 346155301 /nfs/dbraw/zinc/15/53/01/346155301.db2.gz KTJOEKVYADFCOR-CYBMUJFWSA-N 0 0 199.275 1.796 10 0 ADAERN CC(C)SCC1(CO)COC1 307626346 346155380 /nfs/dbraw/zinc/15/53/80/346155380.db2.gz HOEVANJINDONCX-UHFFFAOYSA-N 0 0 176.281 1.137 10 0 ADAERN Cc1n[nH]c(=O)cc1CC(C)(C)C 307625992 346155386 /nfs/dbraw/zinc/15/53/86/346155386.db2.gz HATHYTNMWHWHCP-UHFFFAOYSA-N 0 0 180.251 1.667 10 0 ADAERN CCc1nnc(-c2n[nH]cc2C)[nH]1 307627624 346155668 /nfs/dbraw/zinc/15/56/68/346155668.db2.gz VLUGAGXUEVVPRI-UHFFFAOYSA-N 0 0 177.211 1.066 10 0 ADAERN CCn1nncc1N[C@H]1CCC1(C)C 307627195 346155677 /nfs/dbraw/zinc/15/56/77/346155677.db2.gz IVSNQNLTJMPLGX-QMMMGPOBSA-N 0 0 194.282 1.899 10 0 ADAERN CC[S@](=O)Nc1ccc(O)c(C)c1 307626574 346155682 /nfs/dbraw/zinc/15/56/82/346155682.db2.gz KTJOEKVYADFCOR-ZDUSSCGKSA-N 0 0 199.275 1.796 10 0 ADAERN Cc1c[nH]c(N2CCSC[C@@H]2C)n1 307627358 346155685 /nfs/dbraw/zinc/15/56/85/346155685.db2.gz LHVAATDIRWLJHR-QMMMGPOBSA-N 0 0 197.307 1.660 10 0 ADAERN c1nc(-c2cn[nH]c2)cs1 307627617 346155778 /nfs/dbraw/zinc/15/57/78/346155778.db2.gz VLHGDDIAWQXWSP-UHFFFAOYSA-N 0 0 151.194 1.533 10 0 ADAERN Cc1c[nH]c(N2CCSC[C@H]2C)n1 307627357 346155898 /nfs/dbraw/zinc/15/58/98/346155898.db2.gz LHVAATDIRWLJHR-MRVPVSSYSA-N 0 0 197.307 1.660 10 0 ADAERN CC1(NC(=O)C2=CCCSC2)CC1 307627111 346155992 /nfs/dbraw/zinc/15/59/92/346155992.db2.gz UXVMKGQSVICLHS-UHFFFAOYSA-N 0 0 197.303 1.718 10 0 ADAERN CC[S@@](=O)Nc1ccc(O)cc1 307627354 346156014 /nfs/dbraw/zinc/15/60/14/346156014.db2.gz LHJPVCVIDJYIFU-GFCCVEGCSA-N 0 0 185.248 1.488 10 0 ADAERN CCn1nncc1N[C@@H]1CCC1(C)C 307627194 346156019 /nfs/dbraw/zinc/15/60/19/346156019.db2.gz IVSNQNLTJMPLGX-MRVPVSSYSA-N 0 0 194.282 1.899 10 0 ADAERN CC[S@](=O)Nc1ccc(O)cc1 307627355 346156027 /nfs/dbraw/zinc/15/60/27/346156027.db2.gz LHJPVCVIDJYIFU-LBPRGKRZSA-N 0 0 185.248 1.488 10 0 ADAERN CNc1ncc(C(=O)NC2CC2)s1 307628161 346156317 /nfs/dbraw/zinc/15/63/17/346156317.db2.gz LVWAZKRTCZBACX-UHFFFAOYSA-N 0 0 197.263 1.077 10 0 ADAERN C[C@@H](CO)SCc1cc[nH]n1 307628075 346156354 /nfs/dbraw/zinc/15/63/54/346156354.db2.gz SKKFIEYJUFNDSI-LURJTMIESA-N 0 0 172.253 1.024 10 0 ADAERN CCNc1nc(-c2cn[nH]c2)ns1 307628197 346156361 /nfs/dbraw/zinc/15/63/61/346156361.db2.gz WDDSGMSJCYAMKU-UHFFFAOYSA-N 0 0 195.251 1.360 10 0 ADAERN O=C1N[C@@H](c2cscn2)[C@@H]1C1CC1 307627712 346156377 /nfs/dbraw/zinc/15/63/77/346156377.db2.gz LMBUOQVICRQCAD-YUMQZZPRSA-N 0 0 194.259 1.340 10 0 ADAERN O=C(c1ccc[nH]1)C1(O)CCCC1 307628069 346156387 /nfs/dbraw/zinc/15/63/87/346156387.db2.gz SJLDOJCFXDXYDP-UHFFFAOYSA-N 0 0 179.219 1.503 10 0 ADAERN COc1ccnc(-c2cn[nH]c2)c1 307628271 346156394 /nfs/dbraw/zinc/15/63/94/346156394.db2.gz WHGZJRPAISGKIS-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN C[C@@H](F)CCNc1ncns1 307628255 346156398 /nfs/dbraw/zinc/15/63/98/346156398.db2.gz MAXRZAMBSCXTOH-RXMQYKEDSA-N 0 0 175.232 1.698 10 0 ADAERN C[C@H](F)CCNc1ncns1 307628257 346156401 /nfs/dbraw/zinc/15/64/01/346156401.db2.gz MAXRZAMBSCXTOH-YFKPBYRVSA-N 0 0 175.232 1.698 10 0 ADAERN O=C1N[C@H](c2cscn2)[C@@H]1C1CC1 307627708 346156467 /nfs/dbraw/zinc/15/64/67/346156467.db2.gz LMBUOQVICRQCAD-JGVFFNPUSA-N 0 0 194.259 1.340 10 0 ADAERN O=C1N[C@@H](c2cscn2)[C@H]1C1CC1 307627711 346156470 /nfs/dbraw/zinc/15/64/70/346156470.db2.gz LMBUOQVICRQCAD-SFYZADRCSA-N 0 0 194.259 1.340 10 0 ADAERN C[C@H](CO)SCc1cc[nH]n1 307628076 346156500 /nfs/dbraw/zinc/15/65/00/346156500.db2.gz SKKFIEYJUFNDSI-ZCFIWIBFSA-N 0 0 172.253 1.024 10 0 ADAERN Nc1ccnc(-c2ccsn2)n1 307628977 346156800 /nfs/dbraw/zinc/15/68/00/346156800.db2.gz MULGBYFOIBONDD-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O=C(c1ccncc1)c1cscn1 307628568 346156817 /nfs/dbraw/zinc/15/68/17/346156817.db2.gz MJZMMDGEUXTXMB-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN CONC(=O)N[C@@H]1CCCC1(F)F 307628643 346156870 /nfs/dbraw/zinc/15/68/70/346156870.db2.gz WODMGVZTFMYARM-RXMQYKEDSA-N 0 0 194.181 1.035 10 0 ADAERN O=C(CC1CCC1)Nc1c[nH]cn1 307628671 346156880 /nfs/dbraw/zinc/15/68/80/346156880.db2.gz WQBSVODJENQETK-UHFFFAOYSA-N 0 0 179.223 1.538 10 0 ADAERN C[C@@H]1CCC[C@@]1([NH3+])c1nncs1 307628867 346156992 /nfs/dbraw/zinc/15/69/92/346156992.db2.gz KRWQMSPKGOYIBI-SVRRBLITSA-N 0 0 183.280 1.512 10 0 ADAERN C[C@@H]1CCC[C@]1([NH3+])c1nncs1 307628865 346157014 /nfs/dbraw/zinc/15/70/14/346157014.db2.gz KRWQMSPKGOYIBI-HTRCEHHLSA-N 0 0 183.280 1.512 10 0 ADAERN CONC(=O)N[C@H]1CCCC1(F)F 307628644 346157130 /nfs/dbraw/zinc/15/71/30/346157130.db2.gz WODMGVZTFMYARM-YFKPBYRVSA-N 0 0 194.181 1.035 10 0 ADAERN C[C@H]1CCC[C@@]1([NH3+])c1nncs1 307628868 346157141 /nfs/dbraw/zinc/15/71/41/346157141.db2.gz KRWQMSPKGOYIBI-XPUUQOCRSA-N 0 0 183.280 1.512 10 0 ADAERN CC1(C)COC[C@]12CC(=O)CCO2 307628775 346157147 /nfs/dbraw/zinc/15/71/47/346157147.db2.gz UQOLJAHANVNFFM-SNVBAGLBSA-N 0 0 184.235 1.161 10 0 ADAERN C[C@H]1CCC[C@]1([NH3+])c1nncs1 307628866 346157150 /nfs/dbraw/zinc/15/71/50/346157150.db2.gz KRWQMSPKGOYIBI-POYBYMJQSA-N 0 0 183.280 1.512 10 0 ADAERN C[C@@]1(c2cscn2)CC[C@@H](O)C1 307629876 346157336 /nfs/dbraw/zinc/15/73/36/346157336.db2.gz NKCOAENUMWZECX-VXNVDRBHSA-N 0 0 183.276 1.946 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ncc(N)s1 307630027 346157354 /nfs/dbraw/zinc/15/73/54/346157354.db2.gz LZGJXFZXCUPUQM-WDSKDSINSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@]1(c2cscn2)CC[C@@H](O)C1 307629872 346157404 /nfs/dbraw/zinc/15/74/04/346157404.db2.gz NKCOAENUMWZECX-APPZFPTMSA-N 0 0 183.276 1.946 10 0 ADAERN CN(c1ccc(N)nn1)C(C)(C)C 307629937 346157422 /nfs/dbraw/zinc/15/74/22/346157422.db2.gz NNLQCNRWLPDNPL-UHFFFAOYSA-N 0 0 180.255 1.294 10 0 ADAERN CC(C)[C@@H](C)CC(=O)N(C)C 307629994 346157492 /nfs/dbraw/zinc/15/74/92/346157492.db2.gz LYGAXXDDPFSTRK-QMMMGPOBSA-N 0 0 157.257 1.757 10 0 ADAERN C[C@@]1(c2cscn2)CC[C@H](O)C1 307629875 346157558 /nfs/dbraw/zinc/15/75/58/346157558.db2.gz NKCOAENUMWZECX-IONNQARKSA-N 0 0 183.276 1.946 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ncc(N)s1 307630021 346157561 /nfs/dbraw/zinc/15/75/61/346157561.db2.gz LZGJXFZXCUPUQM-RITPCOANSA-N 0 0 183.280 1.936 10 0 ADAERN CC(C)[C@H](C)CC(=O)N(C)C 307629992 346157621 /nfs/dbraw/zinc/15/76/21/346157621.db2.gz LYGAXXDDPFSTRK-MRVPVSSYSA-N 0 0 157.257 1.757 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ncc(N)s1 307630018 346157633 /nfs/dbraw/zinc/15/76/33/346157633.db2.gz LZGJXFZXCUPUQM-NTSWFWBYSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@]1(c2cscn2)CC[C@H](O)C1 307629873 346157655 /nfs/dbraw/zinc/15/76/55/346157655.db2.gz NKCOAENUMWZECX-CBAPKCEASA-N 0 0 183.276 1.946 10 0 ADAERN CN(C)c1noc(C(C)(C)F)n1 307631051 346158032 /nfs/dbraw/zinc/15/80/32/346158032.db2.gz OLIUSGPTFWHPSX-UHFFFAOYSA-N 0 0 173.191 1.340 10 0 ADAERN Cn1cnc([C@@](C)(O)C2CC2)c1 307630600 346158064 /nfs/dbraw/zinc/15/80/64/346158064.db2.gz YRROVUOAQLZIQU-VIFPVBQESA-N 0 0 166.224 1.038 10 0 ADAERN CC1(C)C[C@H]1C(=O)Nc1c[nH]cn1 307630568 346158148 /nfs/dbraw/zinc/15/81/48/346158148.db2.gz YNYRPOOBMNVWSN-LURJTMIESA-N 0 0 179.223 1.394 10 0 ADAERN CCC(CC)C(=O)N(C)C#N 307631012 346158257 /nfs/dbraw/zinc/15/82/57/346158257.db2.gz XSVYBIATPHQKFA-UHFFFAOYSA-N 0 0 154.213 1.362 10 0 ADAERN Cn1cnc([C@](C)(O)C2CC2)c1 307630599 346158281 /nfs/dbraw/zinc/15/82/81/346158281.db2.gz YRROVUOAQLZIQU-SECBINFHSA-N 0 0 166.224 1.038 10 0 ADAERN CCC(C)(C)NC(=O)CSC 307630649 346158343 /nfs/dbraw/zinc/15/83/43/346158343.db2.gz WYMGEONKRDHUKJ-UHFFFAOYSA-N 0 0 175.297 1.654 10 0 ADAERN NC(=O)Oc1cc(N)ccc1Cl 307630336 346158410 /nfs/dbraw/zinc/15/84/10/346158410.db2.gz NZSNOILUMBPHRN-UHFFFAOYSA-N 0 0 186.598 1.380 10 0 ADAERN C[C@@H]1CCCC[C@@H]1c1noc(N)n1 307631682 346158660 /nfs/dbraw/zinc/15/86/60/346158660.db2.gz PCFLLIONXDSONS-RQJHMYQMSA-N 0 0 181.239 1.946 10 0 ADAERN [O-][n+]1ccc(NC2CCCC2)cc1 307631360 346158698 /nfs/dbraw/zinc/15/86/98/346158698.db2.gz ZWHPYDAUYKBVKC-UHFFFAOYSA-N 0 0 178.235 1.675 10 0 ADAERN CC[C@]1(O)CC[C@H]2C[C@H]21 307631574 346158745 /nfs/dbraw/zinc/15/87/45/346158745.db2.gz YKYAVMMTYDLKFN-RNJXMRFFSA-N 0 0 126.199 1.557 10 0 ADAERN C[C@@H]1CCCC[C@H]1c1noc(N)n1 307631681 346158778 /nfs/dbraw/zinc/15/87/78/346158778.db2.gz PCFLLIONXDSONS-RNFRBKRXSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@H]1CCCC[C@@H]1c1noc(N)n1 307631679 346158874 /nfs/dbraw/zinc/15/88/74/346158874.db2.gz PCFLLIONXDSONS-BQBZGAKWSA-N 0 0 181.239 1.946 10 0 ADAERN CC[C@]1(O)CC[C@@H]2C[C@@H]21 307631570 346158891 /nfs/dbraw/zinc/15/88/91/346158891.db2.gz YKYAVMMTYDLKFN-CSMHCCOUSA-N 0 0 126.199 1.557 10 0 ADAERN C[C@H]1CCCC[C@H]1c1noc(N)n1 307631680 346158922 /nfs/dbraw/zinc/15/89/22/346158922.db2.gz PCFLLIONXDSONS-NKWVEPMBSA-N 0 0 181.239 1.946 10 0 ADAERN CC(F)(F)CNc1cccnn1 307631555 346158979 /nfs/dbraw/zinc/15/89/79/346158979.db2.gz PADPDMXOTYGIJN-UHFFFAOYSA-N 0 0 173.166 1.544 10 0 ADAERN CC1(c2nccnc2N)CCCC1 307633063 346159100 /nfs/dbraw/zinc/15/91/00/346159100.db2.gz NDBXYVNAIAHNNK-UHFFFAOYSA-N 0 0 177.251 1.891 10 0 ADAERN O=C1N[C@H](c2ccoc2)C12CCC2 307632481 346159139 /nfs/dbraw/zinc/15/91/39/346159139.db2.gz BCIJNMNMVBCHOO-MRVPVSSYSA-N 0 0 177.203 1.621 10 0 ADAERN CCCC(=O)N[C@@H]1COC(C)(C)C1 307632318 346159182 /nfs/dbraw/zinc/15/91/82/346159182.db2.gz BKOZXIQKTRWVKM-QMMMGPOBSA-N 0 0 185.267 1.470 10 0 ADAERN CCCC(=O)N[C@H]1COC(C)(C)C1 307632317 346159185 /nfs/dbraw/zinc/15/91/85/346159185.db2.gz BKOZXIQKTRWVKM-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN Cc1n[nH]cc1NC(=O)C(F)(F)F 307633106 346159201 /nfs/dbraw/zinc/15/92/01/346159201.db2.gz QRVKPBFAMVTXSU-UHFFFAOYSA-N 0 0 193.128 1.219 10 0 ADAERN CCn1ccnc1C[C@@]1(O)CC[C@@H]1C 307632624 346159253 /nfs/dbraw/zinc/15/92/53/346159253.db2.gz QFCNSRMUWWUVJW-ONGXEEELSA-N 0 0 194.278 1.607 10 0 ADAERN CC[S@](=O)Cc1ccc(C)nc1C 307632390 346159264 /nfs/dbraw/zinc/15/92/64/346159264.db2.gz PVRCBJVBBSBQTA-ZDUSSCGKSA-N 0 0 197.303 1.967 10 0 ADAERN Cn1ccnc1[C@]1(O)CCC1(C)C 307632978 346159299 /nfs/dbraw/zinc/15/92/99/346159299.db2.gz QOYOXUNTFRCYFN-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN CCn1ccnc1C[C@]1(O)CC[C@H]1C 307632623 346159375 /nfs/dbraw/zinc/15/93/75/346159375.db2.gz QFCNSRMUWWUVJW-MWLCHTKSSA-N 0 0 194.278 1.607 10 0 ADAERN CCn1ccnc1C[C@]1(O)CC[C@@H]1C 307632620 346159383 /nfs/dbraw/zinc/15/93/83/346159383.db2.gz QFCNSRMUWWUVJW-GXSJLCMTSA-N 0 0 194.278 1.607 10 0 ADAERN CC[S@@](=O)Cc1ccc(C)nc1C 307632385 346159393 /nfs/dbraw/zinc/15/93/93/346159393.db2.gz PVRCBJVBBSBQTA-CYBMUJFWSA-N 0 0 197.303 1.967 10 0 ADAERN O=C1N[C@@H](c2ccoc2)C12CCC2 307632482 346159478 /nfs/dbraw/zinc/15/94/78/346159478.db2.gz BCIJNMNMVBCHOO-QMMMGPOBSA-N 0 0 177.203 1.621 10 0 ADAERN Cn1ccnc1[C@@]1(O)CCC1(C)C 307632977 346159499 /nfs/dbraw/zinc/15/94/99/346159499.db2.gz QOYOXUNTFRCYFN-JTQLQIEISA-N 0 0 180.251 1.428 10 0 ADAERN Cc1cccc(N[C@@H]2CC[C@H]2O)n1 307632393 346159534 /nfs/dbraw/zinc/15/95/34/346159534.db2.gz AQCNZQAQZAHGAC-RKDXNWHRSA-N 0 0 178.235 1.325 10 0 ADAERN O=C(Nc1cc(Cl)[nH]n1)C1CC1 307633542 346159702 /nfs/dbraw/zinc/15/97/02/346159702.db2.gz REPXAJJNXGBLEX-UHFFFAOYSA-N 0 0 185.614 1.412 10 0 ADAERN CN(C[C@H]1CC=CCC1)C(N)=O 307633550 346159786 /nfs/dbraw/zinc/15/97/86/346159786.db2.gz RGRDAPZJHFNRLI-QMMMGPOBSA-N 0 0 168.240 1.353 10 0 ADAERN CN(C[C@@H]1CC=CCC1)C(N)=O 307633549 346159830 /nfs/dbraw/zinc/15/98/30/346159830.db2.gz RGRDAPZJHFNRLI-MRVPVSSYSA-N 0 0 168.240 1.353 10 0 ADAERN C[C@@H]1CCN(C(N)=S)CCS1 307634290 346159859 /nfs/dbraw/zinc/15/98/59/346159859.db2.gz PNPOIICETMAESM-ZCFIWIBFSA-N 0 0 190.337 1.057 10 0 ADAERN Cc1cc(-c2nc(N)n[nH]2)cs1 307633581 346159925 /nfs/dbraw/zinc/15/99/25/346159925.db2.gz RJYZECLCTAVMPG-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN O=C1CCC(O)(c2cscn2)CC1 307633845 346160105 /nfs/dbraw/zinc/16/01/05/346160105.db2.gz RWUNMISRYDEUOX-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN F[C@H]1CCC[C@H]1Nc1cccnn1 307634577 346160332 /nfs/dbraw/zinc/16/03/32/346160332.db2.gz TWAJZBMBLSQUFL-JGVFFNPUSA-N 0 0 181.214 1.779 10 0 ADAERN COCC(=O)N1CCCC12CCCC2 307634579 346160353 /nfs/dbraw/zinc/16/03/53/346160353.db2.gz TWEHKPYFIDMPMM-UHFFFAOYSA-N 0 0 197.278 1.568 10 0 ADAERN COC(=O)Oc1ccc(N)cc1C 307634993 346160403 /nfs/dbraw/zinc/16/04/03/346160403.db2.gz QWBJRZIZYUJGOA-UHFFFAOYSA-N 0 0 181.191 1.722 10 0 ADAERN O=C(CC1OCCO1)c1ccsn1 307635136 346160609 /nfs/dbraw/zinc/16/06/09/346160609.db2.gz USJWVTABJWQBNQ-UHFFFAOYSA-N 0 0 199.231 1.089 10 0 ADAERN C[S@](=O)Nc1cc(N)ccc1F 307635408 346160599 /nfs/dbraw/zinc/16/05/99/346160599.db2.gz VEDUANJAEIKILI-LBPRGKRZSA-N 0 0 188.227 1.113 10 0 ADAERN C[C@@H](c1ccncc1)N(C)C#N 307634593 346160654 /nfs/dbraw/zinc/16/06/54/346160654.db2.gz TYNFNOJHJITEPW-QMMMGPOBSA-N 0 0 161.208 1.555 10 0 ADAERN C/C=C/CNc1cnccn1 307635158 346160764 /nfs/dbraw/zinc/16/07/64/346160764.db2.gz UUSIDPGDCUKSRM-NSCUHMNNSA-N 0 0 149.197 1.465 10 0 ADAERN C[S@@](=O)Nc1cc(N)ccc1F 307635407 346160771 /nfs/dbraw/zinc/16/07/71/346160771.db2.gz VEDUANJAEIKILI-GFCCVEGCSA-N 0 0 188.227 1.113 10 0 ADAERN C[C@H](c1ccncc1)N(C)C#N 307634592 346160777 /nfs/dbraw/zinc/16/07/77/346160777.db2.gz TYNFNOJHJITEPW-MRVPVSSYSA-N 0 0 161.208 1.555 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]12CCC(=O)NC2 307636605 346160979 /nfs/dbraw/zinc/16/09/79/346160979.db2.gz XIFMWQWNTRESOF-KHQFGBGNSA-N 0 0 167.252 1.559 10 0 ADAERN Cc1nnc(-c2c[nH]cc2C)o1 307635806 346161002 /nfs/dbraw/zinc/16/10/02/346161002.db2.gz VVPXAIZBXTXZHM-UHFFFAOYSA-N 0 0 163.180 1.682 10 0 ADAERN Cc1cnc(Cl)nc1NCCF 307636343 346161088 /nfs/dbraw/zinc/16/10/88/346161088.db2.gz UHSXGAUSNXZMBK-UHFFFAOYSA-N 0 0 189.621 1.820 10 0 ADAERN C[C@@H]1C[C@@]2(CCC(=O)NC2)[C@@H]1C 307636608 346161249 /nfs/dbraw/zinc/16/12/49/346161249.db2.gz XIFMWQWNTRESOF-NQMVMOMDSA-N 0 0 167.252 1.559 10 0 ADAERN NNc1cccc2c1OCCCO2 307635906 346161300 /nfs/dbraw/zinc/16/13/00/346161300.db2.gz SUFATOZGRLNXMQ-UHFFFAOYSA-N 0 0 180.207 1.134 10 0 ADAERN C[C@@H]1C[C@]2(CCC(=O)NC2)[C@@H]1C 307636607 346161303 /nfs/dbraw/zinc/16/13/03/346161303.db2.gz XIFMWQWNTRESOF-MRTMQBJTSA-N 0 0 167.252 1.559 10 0 ADAERN CSc1cnc(NC2CC2)nc1 307637656 346161508 /nfs/dbraw/zinc/16/15/08/346161508.db2.gz YTGRGVCEJNKLLG-UHFFFAOYSA-N 0 0 181.264 1.773 10 0 ADAERN Cc1cocc1C(=O)[C@H](C)O 307637701 346161523 /nfs/dbraw/zinc/16/15/23/346161523.db2.gz YXVMTZVTNDQRNJ-LURJTMIESA-N 0 0 154.165 1.152 10 0 ADAERN C[C@H]1[C@H](C)C[C@]12CCC(=O)NC2 307636610 346161638 /nfs/dbraw/zinc/16/16/38/346161638.db2.gz XIFMWQWNTRESOF-WEDXCCLWSA-N 0 0 167.252 1.559 10 0 ADAERN Cc1cocc1C(=O)[C@@H](C)O 307637703 346161702 /nfs/dbraw/zinc/16/17/02/346161702.db2.gz YXVMTZVTNDQRNJ-ZCFIWIBFSA-N 0 0 154.165 1.152 10 0 ADAERN CC[C@H]1CC[C@H](C)N(C(N)=O)C1 307637938 346161816 /nfs/dbraw/zinc/16/18/16/346161816.db2.gz ZDSTWZKPULPBTO-YUMQZZPRSA-N 0 0 170.256 1.576 10 0 ADAERN Cc1nc(C(=O)c2ccoc2)co1 307638395 346162081 /nfs/dbraw/zinc/16/20/81/346162081.db2.gz ZYMVSAOODAYYOC-UHFFFAOYSA-N 0 0 177.159 1.807 10 0 ADAERN CCC[C@]1(C)[C@H](C)NC(=O)[C@H]1C 307639077 346162083 /nfs/dbraw/zinc/16/20/83/346162083.db2.gz DXKGYVYDRIGTSL-WEDXCCLWSA-N 0 0 169.268 1.947 10 0 ADAERN CC(C)[C@@H](C)c1ncc[nH]c1=O 307638693 346162089 /nfs/dbraw/zinc/16/20/89/346162089.db2.gz DBLMEJCJNDQEAL-SSDOTTSWSA-N 0 0 166.224 1.942 10 0 ADAERN CCC[C@]1(C)[C@H](C)NC(=O)[C@@H]1C 307639076 346162106 /nfs/dbraw/zinc/16/21/06/346162106.db2.gz DXKGYVYDRIGTSL-NRPADANISA-N 0 0 169.268 1.947 10 0 ADAERN CC(C)[C@H](C)c1ncc[nH]c1=O 307638695 346162109 /nfs/dbraw/zinc/16/21/09/346162109.db2.gz DBLMEJCJNDQEAL-ZETCQYMHSA-N 0 0 166.224 1.942 10 0 ADAERN CCC[C@]1(C)[C@@H](C)NC(=O)[C@@H]1C 307639078 346162149 /nfs/dbraw/zinc/16/21/49/346162149.db2.gz DXKGYVYDRIGTSL-XKSSXDPKSA-N 0 0 169.268 1.947 10 0 ADAERN Cc1cc(CO)c2c(C)nn(C)c2n1 307638797 346162158 /nfs/dbraw/zinc/16/21/58/346162158.db2.gz DKDVBPACDZACGY-UHFFFAOYSA-N 0 0 191.234 1.077 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1NCc1cocn1 307639101 346162242 /nfs/dbraw/zinc/16/22/42/346162242.db2.gz ZLCSCMFUQINYOJ-KHQFGBGNSA-N 0 0 196.250 1.330 10 0 ADAERN C[C@@H]1C[C@@H](NCc2cocn2)[C@@H](C)O1 307639103 346162263 /nfs/dbraw/zinc/16/22/63/346162263.db2.gz ZLCSCMFUQINYOJ-NQMVMOMDSA-N 0 0 196.250 1.330 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1NCc1cocn1 307639104 346162277 /nfs/dbraw/zinc/16/22/77/346162277.db2.gz ZLCSCMFUQINYOJ-WEDXCCLWSA-N 0 0 196.250 1.330 10 0 ADAERN Cc1csc(CN2CCC(=O)C2)c1 307638404 346162324 /nfs/dbraw/zinc/16/23/24/346162324.db2.gz ZZZJRKQFFJPMRO-UHFFFAOYSA-N 0 0 195.287 1.831 10 0 ADAERN CCC[C@@]1(C)[C@H](C)C(=O)N[C@@H]1C 307639075 346162365 /nfs/dbraw/zinc/16/23/65/346162365.db2.gz DXKGYVYDRIGTSL-MRTMQBJTSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@@H]1C[C@H](NCc2cocn2)[C@@H](C)O1 307639102 346162373 /nfs/dbraw/zinc/16/23/73/346162373.db2.gz ZLCSCMFUQINYOJ-MRTMQBJTSA-N 0 0 196.250 1.330 10 0 ADAERN CC(C)[C@H](C)CC(=O)N1CC1 307639381 346162731 /nfs/dbraw/zinc/16/27/31/346162731.db2.gz ZYVKLYNVUJTTNL-MRVPVSSYSA-N 0 0 155.241 1.511 10 0 ADAERN COC(=O)[C@H](C)SC1CCC1 307639693 346162816 /nfs/dbraw/zinc/16/28/16/346162816.db2.gz CRXYBGAQSOKKBT-LURJTMIESA-N 0 0 174.265 1.834 10 0 ADAERN COC(=O)[C@@H](C)SC1CCC1 307639694 346162950 /nfs/dbraw/zinc/16/29/50/346162950.db2.gz CRXYBGAQSOKKBT-ZCFIWIBFSA-N 0 0 174.265 1.834 10 0 ADAERN C[C@H]1CS[C@H](c2csnn2)N1 307640831 346163264 /nfs/dbraw/zinc/16/32/64/346163264.db2.gz HSXCJHTZPKRGAD-UJURSFKZSA-N 0 0 187.293 1.262 10 0 ADAERN CC(=O)CSCc1nccs1 307639667 346162978 /nfs/dbraw/zinc/16/29/78/346162978.db2.gz CMCUNUKTHRJSNT-UHFFFAOYSA-N 0 0 187.289 1.965 10 0 ADAERN C[C@@H]1CS[C@H](c2csnn2)N1 307640829 346163265 /nfs/dbraw/zinc/16/32/65/346163265.db2.gz HSXCJHTZPKRGAD-INEUFUBQSA-N 0 0 187.293 1.262 10 0 ADAERN CCNc1cncc(C(C)=O)c1 307642070 346163626 /nfs/dbraw/zinc/16/36/26/346163626.db2.gz JKQYLLCTRHXSHF-UHFFFAOYSA-N 0 0 164.208 1.716 10 0 ADAERN O=C([O-])C1([C@H]2C=CCCC2)C[NH2+]C1 307641681 346163738 /nfs/dbraw/zinc/16/37/38/346163738.db2.gz IYRCRMJSQPCNGA-QMMMGPOBSA-N 0 0 181.235 1.017 10 0 ADAERN NNCc1csc2c1CCCC2 307641726 346163758 /nfs/dbraw/zinc/16/37/58/346163758.db2.gz JADWAFWZUVYEAF-UHFFFAOYSA-N 0 0 182.292 1.590 10 0 ADAERN CCCn1ncnc1[C@@]1(O)CC[C@@H]1C 307642310 346163801 /nfs/dbraw/zinc/16/38/01/346163801.db2.gz JSJMWOVZDOIIGI-WCBMZHEXSA-N 0 0 195.266 1.306 10 0 ADAERN S=c1[nH]cc([C@H]2CCCO2)[nH]1 307642287 346163808 /nfs/dbraw/zinc/16/38/08/346163808.db2.gz JPQXKHACTQSOKA-ZCFIWIBFSA-N 0 0 170.237 1.924 10 0 ADAERN O=C([O-])C1([C@@H]2C=CCCC2)C[NH2+]C1 307641680 346163852 /nfs/dbraw/zinc/16/38/52/346163852.db2.gz IYRCRMJSQPCNGA-MRVPVSSYSA-N 0 0 181.235 1.017 10 0 ADAERN CC(C)Cc1ncc(F)c(N)n1 307642437 346163871 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CC(C)N(C)c1ncc(F)cc1N 307654408 346167710 /nfs/dbraw/zinc/16/77/10/346167710.db2.gz VQNWGRZEMXLXAB-UHFFFAOYSA-N 0 0 183.230 1.648 10 0 ADAERN Cc1nn(C)c(N)c1-c1cscn1 307653837 346167733 /nfs/dbraw/zinc/16/77/33/346167733.db2.gz UVSKYLWYTCKADM-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC1(C)CC[C@@]12CC(=O)CCO2 307654930 346167738 /nfs/dbraw/zinc/16/77/38/346167738.db2.gz WLIQZHWPVCHRAG-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN CC1CC(C(=O)NC2CCC2)C1 307655470 346167783 /nfs/dbraw/zinc/16/77/83/346167783.db2.gz XEMYVZOPRFJQJX-UHFFFAOYSA-N 0 0 167.252 1.701 10 0 ADAERN CC1(C)CC[C@]12CC(=O)CCO2 307654929 346167791 /nfs/dbraw/zinc/16/77/91/346167791.db2.gz WLIQZHWPVCHRAG-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CC1(Nc2ncc(F)cc2N)CC1 307655204 346167798 /nfs/dbraw/zinc/16/77/98/346167798.db2.gz WTVCNGVDDZYLRG-UHFFFAOYSA-N 0 0 181.214 1.767 10 0 ADAERN Cn1cc([C@@]2(O)CCC2(C)C)cn1 307657292 346168145 /nfs/dbraw/zinc/16/81/45/346168145.db2.gz CNDWCEHVLYEWJU-JTQLQIEISA-N 0 0 180.251 1.428 10 0 ADAERN COc1ncc([C@H]2CC[C@@H](O)C2)s1 307656618 346168184 /nfs/dbraw/zinc/16/81/84/346168184.db2.gz YWQKPBOWMAMTIJ-NKWVEPMBSA-N 0 0 199.275 1.780 10 0 ADAERN Cn1cc([C@]2(O)CCC2(C)C)cn1 307657300 346168228 /nfs/dbraw/zinc/16/82/28/346168228.db2.gz CNDWCEHVLYEWJU-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN Cc1cnccc1/C=C/CO 307656536 346168234 /nfs/dbraw/zinc/16/82/34/346168234.db2.gz YOFYYYSWXQDBQL-NSCUHMNNSA-N 0 0 149.193 1.396 10 0 ADAERN CCc1nc([C@H]2CO2)cs1 307656331 346168237 /nfs/dbraw/zinc/16/82/37/346168237.db2.gz YIMZDIPBGWSBHM-ZCFIWIBFSA-N 0 0 155.222 1.777 10 0 ADAERN COc1ncc([C@@H]2CC[C@H](O)C2)s1 307656620 346168243 /nfs/dbraw/zinc/16/82/43/346168243.db2.gz YWQKPBOWMAMTIJ-RQJHMYQMSA-N 0 0 199.275 1.780 10 0 ADAERN Cn1nccc1NC[C@H]1CCSC1 307656323 346168289 /nfs/dbraw/zinc/16/82/89/346168289.db2.gz YIDZVOHBGYGYFD-MRVPVSSYSA-N 0 0 197.307 1.585 10 0 ADAERN Cn1nccc1NC[C@@H]1CCSC1 307656324 346168328 /nfs/dbraw/zinc/16/83/28/346168328.db2.gz YIDZVOHBGYGYFD-QMMMGPOBSA-N 0 0 197.307 1.585 10 0 ADAERN O=C(NC1CCOCC1)C1=CCC1 307657407 346168348 /nfs/dbraw/zinc/16/83/48/346168348.db2.gz BKKJOXDXAZQKLK-UHFFFAOYSA-N 0 0 181.235 1.002 10 0 ADAERN COc1ncc([C@H]2CC[C@H](O)C2)s1 307656617 346168393 /nfs/dbraw/zinc/16/83/93/346168393.db2.gz YWQKPBOWMAMTIJ-BQBZGAKWSA-N 0 0 199.275 1.780 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1Nc1cnns1 307657703 346168636 /nfs/dbraw/zinc/16/86/36/346168636.db2.gz ACPASVSUNWKWKS-DSYKOEDSSA-N 0 0 199.279 1.516 10 0 ADAERN C[C@@H]1C[C@H](Nc2cnns2)[C@@H](C)O1 307657708 346168676 /nfs/dbraw/zinc/16/86/76/346168676.db2.gz ACPASVSUNWKWKS-QYNIQEEDSA-N 0 0 199.279 1.516 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cnns2)[C@@H](C)O1 307657705 346168698 /nfs/dbraw/zinc/16/86/98/346168698.db2.gz ACPASVSUNWKWKS-FSDSQADBSA-N 0 0 199.279 1.516 10 0 ADAERN Cc1cc(N)nnc1C(C)(C)C 307657547 346168740 /nfs/dbraw/zinc/16/87/40/346168740.db2.gz RRJUFZHMFMLIML-UHFFFAOYSA-N 0 0 165.240 1.665 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1Nc1cnns1 307657710 346168745 /nfs/dbraw/zinc/16/87/45/346168745.db2.gz ACPASVSUNWKWKS-VQVTYTSYSA-N 0 0 199.279 1.516 10 0 ADAERN Brc1cncc2c[nH]nc12 307657688 346168810 /nfs/dbraw/zinc/16/88/10/346168810.db2.gz CWDZKRJYSMXGSE-UHFFFAOYSA-N 0 0 198.023 1.672 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)NCC1CC1 307659108 346169113 /nfs/dbraw/zinc/16/91/13/346169113.db2.gz CMMPWJBIRLJDBO-IONNQARKSA-N 0 0 182.267 1.494 10 0 ADAERN CNc1ncc2c(n1)C(C)(C)OC2 307658522 346169121 /nfs/dbraw/zinc/16/91/21/346169121.db2.gz SIURELSZSUKNFD-UHFFFAOYSA-N 0 0 179.223 1.284 10 0 ADAERN CC1(C)CC[C@@]12CC(=O)N2 307658955 346169147 /nfs/dbraw/zinc/16/91/47/346169147.db2.gz DTQQJOQJQNEXEG-MRVPVSSYSA-N 0 0 139.198 1.065 10 0 ADAERN CC1(C)CC[C@]12CC(=O)N2 307658956 346169306 /nfs/dbraw/zinc/16/93/06/346169306.db2.gz DTQQJOQJQNEXEG-QMMMGPOBSA-N 0 0 139.198 1.065 10 0 ADAERN CNC(=O)Cc1c(C)cccc1Cl 307659019 346169365 /nfs/dbraw/zinc/16/93/65/346169365.db2.gz CJXDXWYPPQIZNI-UHFFFAOYSA-N 0 0 197.665 1.937 10 0 ADAERN CNC(=O)[C@@H](C)c1cccs1 307659075 346169438 /nfs/dbraw/zinc/16/94/38/346169438.db2.gz CHTPGAVZGKXOOH-LURJTMIESA-N 0 0 169.249 1.598 10 0 ADAERN CNC(=O)N1C[C@H](C)CC1(C)C 307660116 346169797 /nfs/dbraw/zinc/16/97/97/346169797.db2.gz BFRYPVVYKSPRQT-SSDOTTSWSA-N 0 0 170.256 1.446 10 0 ADAERN CC1(C)COC[C@@H]1Nc1nccs1 307660817 346170244 /nfs/dbraw/zinc/17/02/44/346170244.db2.gz UVUZJHGZPVKGOK-ZETCQYMHSA-N 0 0 198.291 1.980 10 0 ADAERN Nc1nccc(-c2ccns2)n1 307660198 346169865 /nfs/dbraw/zinc/16/98/65/346169865.db2.gz FKBBUWZXFUYRHU-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN C[C@@H](C(N)=S)N1CCC(F)(F)C1 307659402 346169876 /nfs/dbraw/zinc/16/98/76/346169876.db2.gz SVXWWGAWRWXZPX-YFKPBYRVSA-N 0 0 194.250 1.002 10 0 ADAERN CNC(=O)N1C[C@@H](C)CC1(C)C 307660119 346169896 /nfs/dbraw/zinc/16/98/96/346169896.db2.gz BFRYPVVYKSPRQT-ZETCQYMHSA-N 0 0 170.256 1.446 10 0 ADAERN C[C@H](C(N)=S)N1CCC(F)(F)C1 307659400 346169949 /nfs/dbraw/zinc/16/99/49/346169949.db2.gz SVXWWGAWRWXZPX-RXMQYKEDSA-N 0 0 194.250 1.002 10 0 ADAERN CC[C@@]1(C)C[C@@H]1Nc1nccc(N)n1 307660882 346170143 /nfs/dbraw/zinc/17/01/43/346170143.db2.gz GATPGCRCNMKWSN-XVKPBYJWSA-N 0 0 192.266 1.659 10 0 ADAERN CCCN1C(=O)CN(C)[C@]1(C)CC 307660871 346170215 /nfs/dbraw/zinc/17/02/15/346170215.db2.gz GATFBVWFAZQUAH-JTQLQIEISA-N 0 0 184.283 1.297 10 0 ADAERN CC[C@]1(C)C[C@H]1Nc1nccc(N)n1 307660873 346170165 /nfs/dbraw/zinc/17/01/65/346170165.db2.gz GATPGCRCNMKWSN-GMSGAONNSA-N 0 0 192.266 1.659 10 0 ADAERN CCNc1nc(CN2CCC2)ns1 307660851 346170170 /nfs/dbraw/zinc/17/01/70/346170170.db2.gz FZJXKAHRNIWXTO-UHFFFAOYSA-N 0 0 198.295 1.176 10 0 ADAERN CCCN1C(=O)CN(C)[C@@]1(C)CC 307660872 346170203 /nfs/dbraw/zinc/17/02/03/346170203.db2.gz GATFBVWFAZQUAH-SNVBAGLBSA-N 0 0 184.283 1.297 10 0 ADAERN CC[C@@]1(C)C[C@H]1Nc1nccc(N)n1 307660876 346170297 /nfs/dbraw/zinc/17/02/97/346170297.db2.gz GATPGCRCNMKWSN-XCBNKYQSSA-N 0 0 192.266 1.659 10 0 ADAERN CC[C@]1(C)C[C@@H]1Nc1nccc(N)n1 307660874 346170317 /nfs/dbraw/zinc/17/03/17/346170317.db2.gz GATPGCRCNMKWSN-OIBJUYFYSA-N 0 0 192.266 1.659 10 0 ADAERN CC(=O)C(=O)Nc1ccc(Cl)nc1 307660911 346170321 /nfs/dbraw/zinc/17/03/21/346170321.db2.gz GAWGGRMWZLCDLU-UHFFFAOYSA-N 0 0 198.609 1.263 10 0 ADAERN CC1(C)COC[C@H]1Nc1nccs1 307660815 346170322 /nfs/dbraw/zinc/17/03/22/346170322.db2.gz UVUZJHGZPVKGOK-SSDOTTSWSA-N 0 0 198.291 1.980 10 0 ADAERN S=c1[nH]ccn1Cc1csnn1 307661084 346170341 /nfs/dbraw/zinc/17/03/41/346170341.db2.gz GCFYJOUNLXSYEM-UHFFFAOYSA-N 0 0 198.276 1.072 10 0 ADAERN Cc1ccc(-c2cnn(C)n2)cc1N 307662337 346170602 /nfs/dbraw/zinc/17/06/02/346170602.db2.gz XQFQRSDYQBJDRZ-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1nc(C2CC2)no1 307662366 346170625 /nfs/dbraw/zinc/17/06/25/346170625.db2.gz HOSJUJKEOWECGA-RITPCOANSA-N 0 0 197.238 1.128 10 0 ADAERN C[C@H](O)[C@H](C)Nc1nc(C2CC2)no1 307662368 346170759 /nfs/dbraw/zinc/17/07/59/346170759.db2.gz HOSJUJKEOWECGA-WDSKDSINSA-N 0 0 197.238 1.128 10 0 ADAERN CCCNC(=O)Nc1csnn1 307662710 346170814 /nfs/dbraw/zinc/17/08/14/346170814.db2.gz HWZQHQNCSQAVSZ-UHFFFAOYSA-N 0 0 186.240 1.070 10 0 ADAERN C[C@H](CO)Nc1csc(Cl)n1 307662260 346170830 /nfs/dbraw/zinc/17/08/30/346170830.db2.gz HITRJGICRBUIGD-SCSAIBSYSA-N 0 0 192.671 1.589 10 0 ADAERN C[C@@H](O)[C@@H](C)Nc1nc(C2CC2)no1 307662364 346170836 /nfs/dbraw/zinc/17/08/36/346170836.db2.gz HOSJUJKEOWECGA-PHDIDXHHSA-N 0 0 197.238 1.128 10 0 ADAERN CCn1cc([C@@H](N)C(C)(F)F)cn1 307663796 346171126 /nfs/dbraw/zinc/17/11/26/346171126.db2.gz JJEGKCKOFDAUQC-SSDOTTSWSA-N 0 0 189.209 1.558 10 0 ADAERN Cn1ccc([C@@H](O)CC2(C)CC2)n1 307663754 346171237 /nfs/dbraw/zinc/17/12/37/346171237.db2.gz JDMFCGQRUYWFCL-VIFPVBQESA-N 0 0 180.251 1.644 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)OC(C)C 307663218 346171328 /nfs/dbraw/zinc/17/13/28/346171328.db2.gz XAGLNJJPNUOCSJ-HTQZYQBOSA-N 0 0 156.225 1.984 10 0 ADAERN CCn1cc([C@H](N)C(C)(F)F)cn1 307663797 346171339 /nfs/dbraw/zinc/17/13/39/346171339.db2.gz JJEGKCKOFDAUQC-ZETCQYMHSA-N 0 0 189.209 1.558 10 0 ADAERN Cn1ccc([C@H](O)CC2(C)CC2)n1 307663753 346171448 /nfs/dbraw/zinc/17/14/48/346171448.db2.gz JDMFCGQRUYWFCL-SECBINFHSA-N 0 0 180.251 1.644 10 0 ADAERN CC(C)C1CC(NC(N)=O)C1 307665223 346171686 /nfs/dbraw/zinc/17/16/86/346171686.db2.gz LQMWACTVQSFUCQ-UHFFFAOYSA-N 0 0 156.229 1.089 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)CSC 307664983 346171688 /nfs/dbraw/zinc/17/16/88/346171688.db2.gz ZSQLOXSCTHLIED-RNFRBKRXSA-N 0 0 173.281 1.264 10 0 ADAERN CN(C#N)C(=O)Cc1cccs1 307665520 346171700 /nfs/dbraw/zinc/17/17/00/346171700.db2.gz AUKCHEUJHQSQRZ-UHFFFAOYSA-N 0 0 180.232 1.230 10 0 ADAERN C/C=C(/C)C(=O)N[C@H]1[C@H]2CCC[C@H]21 307665329 346171705 /nfs/dbraw/zinc/17/17/05/346171705.db2.gz ANKDZBIIRUWXLB-OIVJTQQXSA-N 0 0 179.263 1.867 10 0 ADAERN CC[C@H](C)[C@H]1[C@H](C)C(=O)N[C@@H]1C 307664702 346171730 /nfs/dbraw/zinc/17/17/30/346171730.db2.gz KXEADMZTYQXBDF-MAUMQABQSA-N 0 0 169.268 1.803 10 0 ADAERN CC[C@H](C)[C@@H]1[C@H](C)NC(=O)[C@H]1C 307664699 346171772 /nfs/dbraw/zinc/17/17/72/346171772.db2.gz KXEADMZTYQXBDF-JBDRJPRFSA-N 0 0 169.268 1.803 10 0 ADAERN Cc1ccnc(N)c1-c1ccc[nH]1 307664867 346171793 /nfs/dbraw/zinc/17/17/93/346171793.db2.gz KYUICJGGPYMUSR-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN CC[C@H](C)[C@@H]1[C@@H](C)NC(=O)[C@@H]1C 307664700 346171884 /nfs/dbraw/zinc/17/18/84/346171884.db2.gz KXEADMZTYQXBDF-KDXUFGMBSA-N 0 0 169.268 1.803 10 0 ADAERN CCc1cc(C)c(C(=O)NC)o1 307665202 346171890 /nfs/dbraw/zinc/17/18/90/346171890.db2.gz LNDVEVKNVVTSQD-UHFFFAOYSA-N 0 0 167.208 1.510 10 0 ADAERN CC(C)C1(C(C)C)OC(=O)N=C1N 307665526 346171966 /nfs/dbraw/zinc/17/19/66/346171966.db2.gz AVFLNTATMLJGGW-UHFFFAOYSA-N 0 0 184.239 1.545 10 0 ADAERN O=C(c1ncccn1)c1ccns1 307664612 346171982 /nfs/dbraw/zinc/17/19/82/346171982.db2.gz KPGZEYUZKMHKKD-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN CC1CC2(C1)[C@@H](C)C(=O)NC2(C)C 307665158 346172010 /nfs/dbraw/zinc/17/20/10/346172010.db2.gz LJTKOMPLKMRPRR-KAIZJQOQSA-N 0 0 181.279 1.947 10 0 ADAERN CC1(C(=O)Nc2cc(Cl)[nH]n2)CC1 307665877 346172170 /nfs/dbraw/zinc/17/21/70/346172170.db2.gz MDFZMXSIBPXWKJ-UHFFFAOYSA-N 0 0 199.641 1.802 10 0 ADAERN CCCNC(=O)[C@@H]1CCC(C)(C)O1 307666566 346172183 /nfs/dbraw/zinc/17/21/83/346172183.db2.gz MXYZICCFULKRTE-QMMMGPOBSA-N 0 0 185.267 1.470 10 0 ADAERN Cc1ccc(NC2CSC2)cn1 307665978 346172190 /nfs/dbraw/zinc/17/21/90/346172190.db2.gz BIRTYPGYBXZCCU-UHFFFAOYSA-N 0 0 180.276 1.917 10 0 ADAERN CC[C@@H](CC(=O)NC)C(C)C 307666724 346172198 /nfs/dbraw/zinc/17/21/98/346172198.db2.gz FOFZADZKGRLXCB-QMMMGPOBSA-N 0 0 157.257 1.805 10 0 ADAERN CC[C@H](CC(=O)NC)C(C)C 307666723 346172230 /nfs/dbraw/zinc/17/22/30/346172230.db2.gz FOFZADZKGRLXCB-MRVPVSSYSA-N 0 0 157.257 1.805 10 0 ADAERN CCCSCc1ncnn1C 307666458 346172350 /nfs/dbraw/zinc/17/23/50/346172350.db2.gz DJJOFHHMRAMJSS-UHFFFAOYSA-N 0 0 171.269 1.458 10 0 ADAERN Cc1cc(-c2cn(C)cn2)ccc1N 307665955 346172381 /nfs/dbraw/zinc/17/23/81/346172381.db2.gz MLKXUYGBJATNIK-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC(=CC(N)=O)NC1CCCCC1 307665549 346172424 /nfs/dbraw/zinc/17/24/24/346172424.db2.gz AWEZNJYQCKAESF-BQYQJAHWSA-N 0 0 182.267 1.298 10 0 ADAERN O=C(Nc1c[nH]cn1)C1CC=CC1 307666542 346172436 /nfs/dbraw/zinc/17/24/36/346172436.db2.gz MWDUFLMDMISOQC-UHFFFAOYSA-N 0 0 177.207 1.314 10 0 ADAERN CCCSCc1nncn1C 307667403 346172686 /nfs/dbraw/zinc/17/26/86/346172686.db2.gz HFGSXUYOZCCYIE-UHFFFAOYSA-N 0 0 171.269 1.458 10 0 ADAERN CCCCC(=O)N1CC[C@H]1C 307667412 346172725 /nfs/dbraw/zinc/17/27/25/346172725.db2.gz HGMIXSPGRLAOOO-MRVPVSSYSA-N 0 0 155.241 1.797 10 0 ADAERN CC1(C(=O)Nc2ncc[nH]2)CCC1 307667279 346172730 /nfs/dbraw/zinc/17/27/30/346172730.db2.gz OMEONBOQVACFSZ-UHFFFAOYSA-N 0 0 179.223 1.538 10 0 ADAERN O=C(N[C@H]1[C@H]2CCC[C@H]21)C1CC1 307667021 346172835 /nfs/dbraw/zinc/17/28/35/346172835.db2.gz NVXBIMRMFFDTLB-AYMMMOKOSA-N 0 0 165.236 1.311 10 0 ADAERN CCCOCc1nc(C)no1 307667144 346172787 /nfs/dbraw/zinc/17/27/87/346172787.db2.gz GIAFKIMQAHSCND-UHFFFAOYSA-N 0 0 156.185 1.305 10 0 ADAERN O=C(NC1CC1)[C@@H]1CCC1(F)F 307667267 346172822 /nfs/dbraw/zinc/17/28/22/346172822.db2.gz OKWSBBZRMGCHSU-LURJTMIESA-N 0 0 175.178 1.310 10 0 ADAERN NC1(c2nccs2)CSC1 307667107 346172866 /nfs/dbraw/zinc/17/28/66/346172866.db2.gz OICQVXDQPFMLJC-UHFFFAOYSA-N 0 0 172.278 1.044 10 0 ADAERN O=C(CC1CC1)Nc1cnoc1 307667332 346172902 /nfs/dbraw/zinc/17/29/02/346172902.db2.gz OTCYBHRQCFNGSK-UHFFFAOYSA-N 0 0 166.180 1.413 10 0 ADAERN CC1(NC(=O)Nc2cn[nH]c2)CC1 307667585 346172932 /nfs/dbraw/zinc/17/29/32/346172932.db2.gz OUUHMSOLLOYQSI-UHFFFAOYSA-N 0 0 180.211 1.084 10 0 ADAERN O=C(NC1CC1)[C@H]1CCC1(F)F 307667268 346172959 /nfs/dbraw/zinc/17/29/59/346172959.db2.gz OKWSBBZRMGCHSU-ZCFIWIBFSA-N 0 0 175.178 1.310 10 0 ADAERN CCCCC(=O)N1CC[C@@H]1C 307667413 346172961 /nfs/dbraw/zinc/17/29/61/346172961.db2.gz HGMIXSPGRLAOOO-QMMMGPOBSA-N 0 0 155.241 1.797 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)NCC1(C)CC1 307666851 346172977 /nfs/dbraw/zinc/17/29/77/346172977.db2.gz NSBSCUBLJADEIU-YUMQZZPRSA-N 0 0 182.267 1.494 10 0 ADAERN CC(=O)N[C@@H]1CC[C@@H]1C(F)(F)F 307669572 346173688 /nfs/dbraw/zinc/17/36/88/346173688.db2.gz SRWLBXYQBJSXTP-NTSWFWBYSA-N 0 0 181.157 1.463 10 0 ADAERN CC(=O)N[C@H]1CC[C@@H]1C(F)(F)F 307669575 346173692 /nfs/dbraw/zinc/17/36/92/346173692.db2.gz SRWLBXYQBJSXTP-WDSKDSINSA-N 0 0 181.157 1.463 10 0 ADAERN CC(=O)N[C@H]1CC[C@H]1C(F)(F)F 307669574 346173727 /nfs/dbraw/zinc/17/37/27/346173727.db2.gz SRWLBXYQBJSXTP-RITPCOANSA-N 0 0 181.157 1.463 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@H]1CCCO1 307668964 346173754 /nfs/dbraw/zinc/17/37/54/346173754.db2.gz LRLBUPJLHNFCFF-MRTMQBJTSA-N 0 0 183.251 1.080 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1[C@@H]1CCCO1 307668965 346173757 /nfs/dbraw/zinc/17/37/57/346173757.db2.gz LRLBUPJLHNFCFF-NRPADANISA-N 0 0 183.251 1.080 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@@H]1CCCO1 307668967 346173864 /nfs/dbraw/zinc/17/38/64/346173864.db2.gz LRLBUPJLHNFCFF-XKSSXDPKSA-N 0 0 183.251 1.080 10 0 ADAERN CC1(C)OCC[C@]1(O)c1cccnc1 307668743 346173868 /nfs/dbraw/zinc/17/38/68/346173868.db2.gz QXEHNUHMDZKRRD-NSHDSACASA-N 0 0 193.246 1.468 10 0 ADAERN Cc1ccoc1[C@H]([NH3+])C(C)(C)C(=O)[O-] 307669659 346173921 /nfs/dbraw/zinc/17/39/21/346173921.db2.gz OALJYZZOQDCOIP-QMMMGPOBSA-N 0 0 197.234 1.699 10 0 ADAERN Cc1ccoc1[C@@H]([NH3+])C(C)(C)C(=O)[O-] 307669658 346173969 /nfs/dbraw/zinc/17/39/69/346173969.db2.gz OALJYZZOQDCOIP-MRVPVSSYSA-N 0 0 197.234 1.699 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H]1C(F)(F)F 307669573 346174011 /nfs/dbraw/zinc/17/40/11/346174011.db2.gz SRWLBXYQBJSXTP-PHDIDXHHSA-N 0 0 181.157 1.463 10 0 ADAERN CC1(C)OCC[C@@]1(O)c1cccnc1 307668742 346174040 /nfs/dbraw/zinc/17/40/40/346174040.db2.gz QXEHNUHMDZKRRD-LLVKDONJSA-N 0 0 193.246 1.468 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1[C@H]1CCCO1 307668966 346174061 /nfs/dbraw/zinc/17/40/61/346174061.db2.gz LRLBUPJLHNFCFF-WEDXCCLWSA-N 0 0 183.251 1.080 10 0 ADAERN CS(C)(=O)=NCc1cccc(N)c1 307670256 346174220 /nfs/dbraw/zinc/17/42/20/346174220.db2.gz UITODIJPJQBRLI-UHFFFAOYSA-N 0 0 198.291 1.496 10 0 ADAERN Cn1[n-]cc2c(=[NH2+])cc(F)cc1-2 307670510 346174310 /nfs/dbraw/zinc/17/43/10/346174310.db2.gz UXIRKROIYVUHAV-UHFFFAOYSA-N 0 0 165.171 1.077 10 0 ADAERN C[C@@H](Nc1nccs1)c1ncon1 307670492 346174328 /nfs/dbraw/zinc/17/43/28/346174328.db2.gz UUIOQKQBUSRJFA-RXMQYKEDSA-N 0 0 196.235 1.699 10 0 ADAERN C[C@H](Nc1nccs1)c1ncon1 307670493 346174578 /nfs/dbraw/zinc/17/45/78/346174578.db2.gz UUIOQKQBUSRJFA-YFKPBYRVSA-N 0 0 196.235 1.699 10 0 ADAERN CC(C)NC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 307671763 346174800 /nfs/dbraw/zinc/17/48/00/346174800.db2.gz XHGJNLLRRBDTAX-AYMMMOKOSA-N 0 0 182.267 1.493 10 0 ADAERN Cc1sccc1C[C@@H]1CCC(=O)N1 307671126 346174851 /nfs/dbraw/zinc/17/48/51/346174851.db2.gz WCLCRKAWIURLEQ-VIFPVBQESA-N 0 0 195.287 1.878 10 0 ADAERN CC(C)(C)c1nsc(C2(N)CC2)n1 307671412 346174870 /nfs/dbraw/zinc/17/48/70/346174870.db2.gz STECXXDYCAFLGP-UHFFFAOYSA-N 0 0 197.307 1.783 10 0 ADAERN Oc1cccc(CN2CCCN2)c1 307671177 346174922 /nfs/dbraw/zinc/17/49/22/346174922.db2.gz WJKHCCCBGFPJJF-UHFFFAOYSA-N 0 0 178.235 1.103 10 0 ADAERN Cc1sccc1C[C@H]1CCC(=O)N1 307671125 346174951 /nfs/dbraw/zinc/17/49/51/346174951.db2.gz WCLCRKAWIURLEQ-SECBINFHSA-N 0 0 195.287 1.878 10 0 ADAERN CCNc1c(C(C)=O)cnn1C 307671757 346175058 /nfs/dbraw/zinc/17/50/58/346175058.db2.gz XGJCNODHFXMUQV-UHFFFAOYSA-N 0 0 167.212 1.055 10 0 ADAERN CCOc1ccc(C)c(C(N)=O)c1C 307671436 346175096 /nfs/dbraw/zinc/17/50/96/346175096.db2.gz SXSMDPQJUGIHFJ-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CC[C@@H](F)CN1C[C@@H]2CC[C@H](C1)O2 307672910 346175371 /nfs/dbraw/zinc/17/53/71/346175371.db2.gz ZMBNNEUUZYPLPJ-BBBLOLIVSA-N 0 0 187.258 1.598 10 0 ADAERN CC[C@H](F)CN1C[C@@H]2CC[C@H](C1)O2 307672911 346175420 /nfs/dbraw/zinc/17/54/20/346175420.db2.gz ZMBNNEUUZYPLPJ-LPEHRKFASA-N 0 0 187.258 1.598 10 0 ADAERN O=C1NCCn2c1cc1sccc12 307672779 346175475 /nfs/dbraw/zinc/17/54/75/346175475.db2.gz ZBUJXBWSBUXNSH-UHFFFAOYSA-N 0 0 192.243 1.446 10 0 ADAERN C[C@H]1CCN(C(=O)N2CCCO2)C1 307672884 346175502 /nfs/dbraw/zinc/17/55/02/346175502.db2.gz ZHQYCERNZPFKST-QMMMGPOBSA-N 0 0 184.239 1.086 10 0 ADAERN CC(C)c1nsc(C2(N)CC2)n1 307673310 346175736 /nfs/dbraw/zinc/17/57/36/346175736.db2.gz ZBGVJTWEDDXJNH-UHFFFAOYSA-N 0 0 183.280 1.609 10 0 ADAERN C[C@@H](NC(=S)N(C)C)C1CC1 307673758 346175769 /nfs/dbraw/zinc/17/57/69/346175769.db2.gz BVOYMGMLXAIXCL-ZCFIWIBFSA-N 0 0 172.297 1.221 10 0 ADAERN CSCCNC(=O)C1=CCC1 307673912 346175780 /nfs/dbraw/zinc/17/57/80/346175780.db2.gz AKZKVMKSHROAQN-UHFFFAOYSA-N 0 0 171.265 1.186 10 0 ADAERN CSC[C@H](O)c1cn(C)nc1C 307673114 346175800 /nfs/dbraw/zinc/17/58/00/346175800.db2.gz ZXKJZIGPGWXRCA-QMMMGPOBSA-N 0 0 186.280 1.125 10 0 ADAERN Cc1nccc(N2[C@@H](C)C[C@H]2C)n1 307674001 346175818 /nfs/dbraw/zinc/17/58/18/346175818.db2.gz DKWVMLBIQZWMSE-OCAPTIKFSA-N 0 0 177.251 1.772 10 0 ADAERN C[C@H](NC(=S)N(C)C)C1CC1 307673751 346175837 /nfs/dbraw/zinc/17/58/37/346175837.db2.gz BVOYMGMLXAIXCL-LURJTMIESA-N 0 0 172.297 1.221 10 0 ADAERN CSC1(C(=O)OC(C)C)CC1 307674000 346175859 /nfs/dbraw/zinc/17/58/59/346175859.db2.gz BZLRJTBJZWPJNR-UHFFFAOYSA-N 0 0 174.265 1.834 10 0 ADAERN CCC1(CC)C(=O)N[C@H]1[C@@H]1CCCO1 307674081 346175871 /nfs/dbraw/zinc/17/58/71/346175871.db2.gz CFPQOOXNDVTKBT-IUCAKERBSA-N 0 0 197.278 1.470 10 0 ADAERN CSC[C@@H](O)c1cn(C)nc1C 307673113 346175876 /nfs/dbraw/zinc/17/58/76/346175876.db2.gz ZXKJZIGPGWXRCA-MRVPVSSYSA-N 0 0 186.280 1.125 10 0 ADAERN C[C@@H]1CCN1C(=O)Cc1ccsc1 307673782 346175893 /nfs/dbraw/zinc/17/58/93/346175893.db2.gz BWAPMCJKTOSDPY-MRVPVSSYSA-N 0 0 195.287 1.911 10 0 ADAERN CCC1(CC)C(=O)N[C@@H]1[C@H]1CCCO1 307674082 346175949 /nfs/dbraw/zinc/17/59/49/346175949.db2.gz CFPQOOXNDVTKBT-RKDXNWHRSA-N 0 0 197.278 1.470 10 0 ADAERN COCCSc1cnccn1 307674238 346175953 /nfs/dbraw/zinc/17/59/53/346175953.db2.gz CQORZKFQSUKVLP-UHFFFAOYSA-N 0 0 170.237 1.215 10 0 ADAERN CCC1(CC)C(=O)N[C@H]1[C@H]1CCCO1 307674079 346176020 /nfs/dbraw/zinc/17/60/20/346176020.db2.gz CFPQOOXNDVTKBT-BDAKNGLRSA-N 0 0 197.278 1.470 10 0 ADAERN CCO[P@H](=O)[C@H](N)C(F)(F)F 307673691 346176024 /nfs/dbraw/zinc/17/60/24/346176024.db2.gz BFBODRPBKLVAQU-VKHMYHEASA-N 0 0 191.089 1.345 10 0 ADAERN Cc1nccc(N2[C@@H](C)C[C@@H]2C)n1 307674002 346176070 /nfs/dbraw/zinc/17/60/70/346176070.db2.gz DKWVMLBIQZWMSE-YUMQZZPRSA-N 0 0 177.251 1.772 10 0 ADAERN Cn1cc(NCC2(C)CC2)nn1 307673922 346176084 /nfs/dbraw/zinc/17/60/84/346176084.db2.gz DGUHCESSSIUAMX-UHFFFAOYSA-N 0 0 166.228 1.027 10 0 ADAERN Cc1nccc(N2[C@H](C)C[C@H]2C)n1 307673999 346176087 /nfs/dbraw/zinc/17/60/87/346176087.db2.gz DKWVMLBIQZWMSE-HTQZYQBOSA-N 0 0 177.251 1.772 10 0 ADAERN C[C@H]1CCN1C(=O)Cc1ccsc1 307673806 346176115 /nfs/dbraw/zinc/17/61/15/346176115.db2.gz BWAPMCJKTOSDPY-QMMMGPOBSA-N 0 0 195.287 1.911 10 0 ADAERN CC1(NC(=O)[C@@H]2CCO2)CCCC1 307674721 346176396 /nfs/dbraw/zinc/17/63/96/346176396.db2.gz FDLNWZRIZDXISD-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN CNC(=O)N(C)CCC1CC1 307674959 346176403 /nfs/dbraw/zinc/17/64/03/346176403.db2.gz DDAQIZNGJASCJL-UHFFFAOYSA-N 0 0 156.229 1.058 10 0 ADAERN Cc1nccc(N2CC[C@@H]2C)n1 307674723 346176421 /nfs/dbraw/zinc/17/64/21/346176421.db2.gz FDMHPTLHPRVKOJ-ZETCQYMHSA-N 0 0 163.224 1.384 10 0 ADAERN Cc1cc(C(=O)N(C)C#N)c(C)o1 307674703 346176445 /nfs/dbraw/zinc/17/64/45/346176445.db2.gz FAEZFGULGRMEBZ-UHFFFAOYSA-N 0 0 178.191 1.450 10 0 ADAERN Cc1nccc(N2CC[C@H]2C)n1 307674722 346176450 /nfs/dbraw/zinc/17/64/50/346176450.db2.gz FDMHPTLHPRVKOJ-SSDOTTSWSA-N 0 0 163.224 1.384 10 0 ADAERN CC1(NC(=O)[C@H]2CCO2)CCCC1 307674720 346176483 /nfs/dbraw/zinc/17/64/83/346176483.db2.gz FDLNWZRIZDXISD-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN CCCCC(=O)N[C@@H]1C[C@H]1C 307675530 346176832 /nfs/dbraw/zinc/17/68/32/346176832.db2.gz GEQPQKZVCWQVEF-HTQZYQBOSA-N 0 0 155.241 1.701 10 0 ADAERN CCc1nnc(-c2c[nH]cc2C)o1 307675908 346176837 /nfs/dbraw/zinc/17/68/37/346176837.db2.gz DSLQSIQRZPTIPP-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN CNC(=O)[C@H]1CCC[C@H]1C(F)F 307675440 346176846 /nfs/dbraw/zinc/17/68/46/346176846.db2.gz FRUQCPHBJCROOT-RITPCOANSA-N 0 0 177.194 1.414 10 0 ADAERN O=C(N[C@H]1[C@H]2CCC[C@H]21)C(F)F 307675836 346176863 /nfs/dbraw/zinc/17/68/63/346176863.db2.gz GFVVLMAYMCERCN-FPFOFBBKSA-N 0 0 175.178 1.166 10 0 ADAERN CNC(=O)[C@@H]1CCC[C@H]1C(F)F 307675439 346176897 /nfs/dbraw/zinc/17/68/97/346176897.db2.gz FRUQCPHBJCROOT-PHDIDXHHSA-N 0 0 177.194 1.414 10 0 ADAERN CCNc1nccc(N2CCC2)n1 307675462 346176917 /nfs/dbraw/zinc/17/69/17/346176917.db2.gz FSOMNICEULIKRY-UHFFFAOYSA-N 0 0 178.239 1.119 10 0 ADAERN CCCCC(=O)N[C@@H]1C[C@@H]1C 307675531 346176929 /nfs/dbraw/zinc/17/69/29/346176929.db2.gz GEQPQKZVCWQVEF-JGVFFNPUSA-N 0 0 155.241 1.701 10 0 ADAERN COCc1noc(CSC)n1 307675945 346176940 /nfs/dbraw/zinc/17/69/40/346176940.db2.gz DWKRWCZYABVRDL-UHFFFAOYSA-N 0 0 174.225 1.079 10 0 ADAERN C[C@@H]1SCCC[C@@]12CNC(=O)[C@@H]2C 307676948 346177334 /nfs/dbraw/zinc/17/73/34/346177334.db2.gz KBPOXFIQLIMOIG-NRPADANISA-N 0 0 199.319 1.654 10 0 ADAERN Cc1cnc(N)nc1-c1ccns1 307676309 346177343 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ADAERN CC(C)n1cc(/C=C/[C@@H](C)O)nn1 307684093 346182158 /nfs/dbraw/zinc/18/21/58/346182158.db2.gz IMQGXKHUSVMLBY-WTSVBCDHSA-N 0 0 181.239 1.253 10 0 ADAERN CCc1nn(C)cc1NC1CSC1 307684025 346182173 /nfs/dbraw/zinc/18/21/73/346182173.db2.gz IGFFNHCRVGSFGM-UHFFFAOYSA-N 0 0 197.307 1.510 10 0 ADAERN CC(C)=CCNc1ccnn1C 307685247 346182602 /nfs/dbraw/zinc/18/26/02/346182602.db2.gz XXRLDWXSKJUGFM-UHFFFAOYSA-N 0 0 165.240 1.798 10 0 ADAERN Nc1cc(NCCCF)sn1 307685017 346182656 /nfs/dbraw/zinc/18/26/56/346182656.db2.gz XFZNICRJJMJDRD-UHFFFAOYSA-N 0 0 175.232 1.497 10 0 ADAERN CC(=O)C(=O)Nc1ccsc1 307685722 346182685 /nfs/dbraw/zinc/18/26/85/346182685.db2.gz ZQHUUOUNAKZTDB-UHFFFAOYSA-N 0 0 169.205 1.276 10 0 ADAERN C/C=C/CNc1ccc(N)nn1 307686112 346182949 /nfs/dbraw/zinc/18/29/49/346182949.db2.gz AYMPVYJLYMLFIK-NSCUHMNNSA-N 0 0 164.212 1.047 10 0 ADAERN CC1(C)OCC[C@]12CCC(=O)NC2 307685951 346182966 /nfs/dbraw/zinc/18/29/66/346182966.db2.gz AUTRXZUYJWASFI-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN C=C(Cl)C(=O)NC1CC1 307685917 346183011 /nfs/dbraw/zinc/18/30/11/346183011.db2.gz AIOSHWWDQOFLBS-UHFFFAOYSA-N 0 0 145.589 1.018 10 0 ADAERN CC(C)NC(=O)N1CC[C@@H]1C(C)C 307685847 346183020 /nfs/dbraw/zinc/18/30/20/346183020.db2.gz ZYOUIJTUTKRIBQ-SECBINFHSA-N 0 0 184.283 1.835 10 0 ADAERN CC1(C)OCC[C@@]12CCC(=O)NC2 307685954 346183034 /nfs/dbraw/zinc/18/30/34/346183034.db2.gz AUTRXZUYJWASFI-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN CC(C)NC(=O)N1CC[C@H]1C(C)C 307685848 346183035 /nfs/dbraw/zinc/18/30/35/346183035.db2.gz ZYOUIJTUTKRIBQ-VIFPVBQESA-N 0 0 184.283 1.835 10 0 ADAERN Cc1cc(NC(=O)NCCF)on1 307687104 346183375 /nfs/dbraw/zinc/18/33/75/346183375.db2.gz DKXYVDMEAODUAK-UHFFFAOYSA-N 0 0 187.174 1.074 10 0 ADAERN CC1(C(=O)NC(C)(C)C(C)(C)O)CC1 307687286 346183524 /nfs/dbraw/zinc/18/35/24/346183524.db2.gz DFNJYNVVVPNUNX-UHFFFAOYSA-N 0 0 199.294 1.452 10 0 ADAERN c1nnsc1N[C@@H]1CC[C@@H]2C[C@@H]21 307686943 346183587 /nfs/dbraw/zinc/18/35/87/346183587.db2.gz DFZDNJVKNIXXAE-DSYKOEDSSA-N 0 0 181.264 1.749 10 0 ADAERN CC1(C)CN(C(=O)N2CCCCC2)C1 307687092 346183616 /nfs/dbraw/zinc/18/36/16/346183616.db2.gz KRBOPIVUJNBSGA-UHFFFAOYSA-N 0 0 196.294 1.934 10 0 ADAERN CSCC(=O)NC1(C)CCC1 307687512 346183758 /nfs/dbraw/zinc/18/37/58/346183758.db2.gz DZRZRAHTEQHDRF-UHFFFAOYSA-N 0 0 173.281 1.408 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C=CCCC1 307687422 346183849 /nfs/dbraw/zinc/18/38/49/346183849.db2.gz DMXHWZGPXIBLFF-UTLUCORTSA-N 0 0 179.263 1.867 10 0 ADAERN Cc1nsc(Sc2cn[nH]n2)n1 307687872 346183874 /nfs/dbraw/zinc/18/38/74/346183874.db2.gz LHNBUUGJFINJTG-UHFFFAOYSA-N 0 0 199.264 1.116 10 0 ADAERN CCC(=O)c1c(C)cnn1C 307687627 346183908 /nfs/dbraw/zinc/18/39/08/346183908.db2.gz DQICGTNKSDXBBA-UHFFFAOYSA-N 0 0 152.197 1.321 10 0 ADAERN CNC(=O)[C@H]1CC2CCC1CC2 307687451 346184044 /nfs/dbraw/zinc/18/40/44/346184044.db2.gz DWUDRICUPCNUHZ-HACHORDNSA-N 0 0 167.252 1.559 10 0 ADAERN CNC(=O)/C=C(/C)c1ccncc1 307687886 346184047 /nfs/dbraw/zinc/18/40/47/346184047.db2.gz DWYOBVWPOGQDSB-FPLPWBNLSA-N 0 0 176.219 1.231 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C=CCCC1 307687418 346184077 /nfs/dbraw/zinc/18/40/77/346184077.db2.gz DMXHWZGPXIBLFF-BBBLOLIVSA-N 0 0 179.263 1.867 10 0 ADAERN Cc1nnc(-c2c(C)n[nH]c2C)o1 307687393 346184081 /nfs/dbraw/zinc/18/40/81/346184081.db2.gz DURPOHFVUNZNMD-UHFFFAOYSA-N 0 0 178.195 1.385 10 0 ADAERN CC[C@]1(O)CCC[C@H]2C[C@H]21 307688029 346184305 /nfs/dbraw/zinc/18/43/05/346184305.db2.gz LMJLZQIASFKHOZ-YIZRAAEISA-N 0 0 140.226 1.948 10 0 ADAERN CC[C@]1(O)CCC[C@@H]2C[C@@H]21 307688018 346184321 /nfs/dbraw/zinc/18/43/21/346184321.db2.gz LMJLZQIASFKHOZ-VGMNWLOBSA-N 0 0 140.226 1.948 10 0 ADAERN CCCOC(=O)Nc1cnn(C)c1 307688303 346184418 /nfs/dbraw/zinc/18/44/18/346184418.db2.gz FFCASGQAPBVCCU-UHFFFAOYSA-N 0 0 183.211 1.379 10 0 ADAERN Cc1scc(-c2nc(N)no2)c1C 307688355 346184431 /nfs/dbraw/zinc/18/44/31/346184431.db2.gz GZJLJGCAXAGCDK-UHFFFAOYSA-N 0 0 195.247 1.997 10 0 ADAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C 307687954 346184506 /nfs/dbraw/zinc/18/45/06/346184506.db2.gz DZFIUINRRZGKCT-IUCAKERBSA-N 0 0 185.267 1.136 10 0 ADAERN CC(C)[C@H]1OCC[C@H]1C(=O)N(C)C 307687956 346184536 /nfs/dbraw/zinc/18/45/36/346184536.db2.gz DZFIUINRRZGKCT-RKDXNWHRSA-N 0 0 185.267 1.136 10 0 ADAERN CC(C)[C@H]1OCC[C@@H]1C(=O)N(C)C 307687952 346184553 /nfs/dbraw/zinc/18/45/53/346184553.db2.gz DZFIUINRRZGKCT-DTWKUNHWSA-N 0 0 185.267 1.136 10 0 ADAERN CO[C@]1(CNN)CCC[C@@H](C)C1 307689539 346185164 /nfs/dbraw/zinc/18/51/64/346185164.db2.gz NLOQISYYWPBUNG-RKDXNWHRSA-N 0 0 172.272 1.045 10 0 ADAERN CO[C@@]1(CNN)CCC[C@@H](C)C1 307689536 346184923 /nfs/dbraw/zinc/18/49/23/346184923.db2.gz NLOQISYYWPBUNG-BDAKNGLRSA-N 0 0 172.272 1.045 10 0 ADAERN Nc1cc(-c2sccc2F)[nH]n1 307689653 346184929 /nfs/dbraw/zinc/18/49/29/346184929.db2.gz KQKYOUIRGBJXLQ-UHFFFAOYSA-N 0 0 183.211 1.860 10 0 ADAERN Nc1ncccc1-c1ccns1 307689263 346184962 /nfs/dbraw/zinc/18/49/62/346184962.db2.gz JTDTVHLQHQNWCP-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN CC(F)(F)Cc1nnc(N)s1 307689275 346184974 /nfs/dbraw/zinc/18/49/74/346184974.db2.gz JULAFJOZXVJEFK-UHFFFAOYSA-N 0 0 179.195 1.318 10 0 ADAERN CO[C@]1(CNN)CCC[C@H](C)C1 307689537 346185079 /nfs/dbraw/zinc/18/50/79/346185079.db2.gz NLOQISYYWPBUNG-DTWKUNHWSA-N 0 0 172.272 1.045 10 0 ADAERN Cc1nnc(S[C@@H]2CCCO2)[nH]1 307688801 346185133 /nfs/dbraw/zinc/18/51/33/346185133.db2.gz FXZBHSYCGZUZTJ-ZCFIWIBFSA-N 0 0 185.252 1.342 10 0 ADAERN Cc1nnc(S[C@H]2CCCO2)[nH]1 307688799 346185168 /nfs/dbraw/zinc/18/51/68/346185168.db2.gz FXZBHSYCGZUZTJ-LURJTMIESA-N 0 0 185.252 1.342 10 0 ADAERN CO[C@@]1(CNN)CCC[C@H](C)C1 307689538 346185197 /nfs/dbraw/zinc/18/51/97/346185197.db2.gz NLOQISYYWPBUNG-IUCAKERBSA-N 0 0 172.272 1.045 10 0 ADAERN CC1(C(=O)N[C@@H]2CCCOC2)CC1 307689635 346185205 /nfs/dbraw/zinc/18/52/05/346185205.db2.gz KNCGTFJMGCKYKD-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN CC/C=C(/C)c1nc(N(C)C)no1 307689104 346185216 /nfs/dbraw/zinc/18/52/16/346185216.db2.gz MXEAMXUHVPLFDK-SREVYHEPSA-N 0 0 181.239 1.949 10 0 ADAERN Cc1ccn(C)c1C(=O)N(C)C 307690041 346185559 /nfs/dbraw/zinc/18/55/59/346185559.db2.gz HIWDRSDFRPBJGW-UHFFFAOYSA-N 0 0 166.224 1.035 10 0 ADAERN Cc1csc(Cn2ccnn2)n1 307690084 346185619 /nfs/dbraw/zinc/18/56/19/346185619.db2.gz HNBWUEYCEGWCLM-UHFFFAOYSA-N 0 0 180.236 1.091 10 0 ADAERN Cc1cc(N[C@H]2C[C@H]2C)nnc1C 307690600 346186076 /nfs/dbraw/zinc/18/60/76/346186076.db2.gz OYVXUVJPNXAVPW-APPZFPTMSA-N 0 0 177.251 1.914 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCC1(C)C 307690452 346186020 /nfs/dbraw/zinc/18/60/20/346186020.db2.gz ORJGNXHHUJJMTO-CIUDSAMLSA-N 0 0 181.279 1.947 10 0 ADAERN CCCOC(=O)Nc1nncs1 307690756 346186032 /nfs/dbraw/zinc/18/60/32/346186032.db2.gz IECVBRJHGJXHAX-UHFFFAOYSA-N 0 0 187.224 1.497 10 0 ADAERN CNc1cncc(-c2ccns2)n1 307690660 346186051 /nfs/dbraw/zinc/18/60/51/346186051.db2.gz NIWWTKIGWWYWEH-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN C=C(Cl)C(=O)Nc1cc(CC)[nH]n1 307690647 346186133 /nfs/dbraw/zinc/18/61/33/346186133.db2.gz NGBSITCMYJGTTE-UHFFFAOYSA-N 0 0 199.641 1.663 10 0 ADAERN CC1(Nc2n[nH]c(N)n2)CCCCC1 307690789 346186141 /nfs/dbraw/zinc/18/61/41/346186141.db2.gz IHVCPQHTFZYDEG-UHFFFAOYSA-N 0 0 195.270 1.522 10 0 ADAERN CCSCCNC(=O)OC 307691095 346186166 /nfs/dbraw/zinc/18/61/66/346186166.db2.gz PMZXOMJSZCPNRU-UHFFFAOYSA-N 0 0 163.242 1.096 10 0 ADAERN CSCCC(=O)N1CC[C@@H]1C 307696108 346189434 /nfs/dbraw/zinc/18/94/34/346189434.db2.gz CISFNCYSBBNNJY-ZETCQYMHSA-N 0 0 173.281 1.360 10 0 ADAERN CCn1nccc1CN1CC(F)C1 307691076 346186239 /nfs/dbraw/zinc/18/62/39/346186239.db2.gz PJEIVAZWQJDBPO-UHFFFAOYSA-N 0 0 183.230 1.057 10 0 ADAERN Cc1cc(N[C@@H]2C[C@@H]2C)nnc1C 307690605 346186251 /nfs/dbraw/zinc/18/62/51/346186251.db2.gz OYVXUVJPNXAVPW-IONNQARKSA-N 0 0 177.251 1.914 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)N(C)C1CC1 307690845 346186253 /nfs/dbraw/zinc/18/62/53/346186253.db2.gz IKVWKKNFSYJTIZ-CBAPKCEASA-N 0 0 182.267 1.589 10 0 ADAERN Cc1cc(N[C@H]2C[C@@H]2C)nnc1C 307690603 346186264 /nfs/dbraw/zinc/18/62/64/346186264.db2.gz OYVXUVJPNXAVPW-CBAPKCEASA-N 0 0 177.251 1.914 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CCC1(C)C 307690453 346186266 /nfs/dbraw/zinc/18/62/66/346186266.db2.gz ORJGNXHHUJJMTO-XHNCKOQMSA-N 0 0 181.279 1.947 10 0 ADAERN CCn1nccc1NC(=O)CSC 307690438 346186274 /nfs/dbraw/zinc/18/62/74/346186274.db2.gz IAFNJYJZMBAMMR-UHFFFAOYSA-N 0 0 199.279 1.205 10 0 ADAERN CC[C@@H](C)n1ncc(C(N)=O)c1C 307691380 346186507 /nfs/dbraw/zinc/18/65/07/346186507.db2.gz IVODOEBRQDNOSS-ZCFIWIBFSA-N 0 0 181.239 1.261 10 0 ADAERN CNc1cnc(CC(C)C)cn1 307691619 346186511 /nfs/dbraw/zinc/18/65/11/346186511.db2.gz PPPXEZUKSPLHQY-UHFFFAOYSA-N 0 0 165.240 1.717 10 0 ADAERN O=C(c1cnccc1Cl)N1CCC1 307692167 346186591 /nfs/dbraw/zinc/18/65/91/346186591.db2.gz RFZSEFDQYGSCMM-UHFFFAOYSA-N 0 0 196.637 1.581 10 0 ADAERN CN1CC(Nc2ncccc2Cl)C1 307691488 346186757 /nfs/dbraw/zinc/18/67/57/346186757.db2.gz IWFVGNOSUYBBKR-UHFFFAOYSA-N 0 0 197.669 1.461 10 0 ADAERN C[C@]1(n2cnc(N)n2)CC=CCC1 307692681 346186984 /nfs/dbraw/zinc/18/69/84/346186984.db2.gz UIAIONUUGQXYJI-VIFPVBQESA-N 0 0 178.239 1.316 10 0 ADAERN CC(F)(F)[C@H](NN)c1ccoc1 307692631 346187005 /nfs/dbraw/zinc/18/70/05/346187005.db2.gz SXUUXCMRUOMGRZ-ZCFIWIBFSA-N 0 0 176.166 1.439 10 0 ADAERN C=C(Cl)C(=O)NC1CC=CC1 307692588 346187096 /nfs/dbraw/zinc/18/70/96/346187096.db2.gz SPTAXZBCEYWOPK-UHFFFAOYSA-N 0 0 171.627 1.574 10 0 ADAERN O=C(c1cscn1)C(F)F 307692322 346187130 /nfs/dbraw/zinc/18/71/30/346187130.db2.gz RKIOGQVHJNWJKF-UHFFFAOYSA-N 0 0 163.148 1.591 10 0 ADAERN CC(F)(F)[C@@H](NN)c1ccoc1 307692630 346187171 /nfs/dbraw/zinc/18/71/71/346187171.db2.gz SXUUXCMRUOMGRZ-LURJTMIESA-N 0 0 176.166 1.439 10 0 ADAERN Cc1cc(N)cc(N2CCC2)c1 307692924 346187184 /nfs/dbraw/zinc/18/71/84/346187184.db2.gz SKQWENWISGPVOI-UHFFFAOYSA-N 0 0 162.236 1.787 10 0 ADAERN Cc1cnccc1-c1nnc(N)o1 307692870 346187189 /nfs/dbraw/zinc/18/71/89/346187189.db2.gz UYNAKBFOVHLHFV-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1n[nH]cc1NC(=O)C1(C)CC1 307692622 346187219 /nfs/dbraw/zinc/18/72/19/346187219.db2.gz 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171.240 1.049 10 0 ADAERN C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F 307702326 346192859 /nfs/dbraw/zinc/19/28/59/346192859.db2.gz UBNDBRFYYPUQIF-AXTSPUMRSA-N 0 0 187.258 1.644 10 0 ADAERN Cn1cncc1C(=O)c1ccns1 307702359 346192909 /nfs/dbraw/zinc/19/29/09/346192909.db2.gz PCHOGLSHPMDIGX-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CC[N@@H+]1CC[C@@H]([C@H](C)C(=O)[O-])C1 307703059 346192931 /nfs/dbraw/zinc/19/29/31/346192931.db2.gz VCVCWTCRRFAUID-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN CC[N@@H+]1CC[C@@H]([C@@H](C)C(=O)[O-])C1 307703058 346192939 /nfs/dbraw/zinc/19/29/39/346192939.db2.gz VCVCWTCRRFAUID-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN CC(=O)C[C@H](C)c1c(C)cnn1C 307702639 346192975 /nfs/dbraw/zinc/19/29/75/346192975.db2.gz PPVUDCUOKBUMCD-ZETCQYMHSA-N 0 0 180.251 1.811 10 0 ADAERN Cc1nc([C@@H](O)CC2CC2)co1 307702484 346192979 /nfs/dbraw/zinc/19/29/79/346192979.db2.gz UIMJMSQDSGEVSV-VIFPVBQESA-N 0 0 167.208 1.817 10 0 ADAERN COc1ncc([C@H]2CCC(=O)C2)s1 307702553 346192981 /nfs/dbraw/zinc/19/29/81/346192981.db2.gz UMJVKTLPQQPQMZ-LURJTMIESA-N 0 0 197.259 1.988 10 0 ADAERN C[C@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F 307702327 346192983 /nfs/dbraw/zinc/19/29/83/346192983.db2.gz UBNDBRFYYPUQIF-UTINFBMNSA-N 0 0 187.258 1.644 10 0 ADAERN COc1ncc([C@@H]2CCC(=O)C2)s1 307702554 346192987 /nfs/dbraw/zinc/19/29/87/346192987.db2.gz UMJVKTLPQQPQMZ-ZCFIWIBFSA-N 0 0 197.259 1.988 10 0 ADAERN CCC1(CC)NC(=O)[C@H]2CCCN21 307702036 346193001 /nfs/dbraw/zinc/19/30/01/346193001.db2.gz OIRUTNPRYQHVNK-MRVPVSSYSA-N 0 0 182.267 1.097 10 0 ADAERN Cc1nc([C@H](O)CC2CC2)co1 307702481 346193013 /nfs/dbraw/zinc/19/30/13/346193013.db2.gz UIMJMSQDSGEVSV-SECBINFHSA-N 0 0 167.208 1.817 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Nc1c[nH]nc1Cl 307702944 346193021 /nfs/dbraw/zinc/19/30/21/346193021.db2.gz QDDCJEVACXWZKS-CRCLSJGQSA-N 0 0 199.641 1.658 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Nc1c[nH]nc1Cl 307702947 346193039 /nfs/dbraw/zinc/19/30/39/346193039.db2.gz QDDCJEVACXWZKS-WHFBIAKZSA-N 0 0 199.641 1.658 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Nc1c[nH]nc1Cl 307702946 346193054 /nfs/dbraw/zinc/19/30/54/346193054.db2.gz QDDCJEVACXWZKS-UHNVWZDZSA-N 0 0 199.641 1.658 10 0 ADAERN CC[N@@H+]1CC[C@H]([C@H](C)C(=O)[O-])C1 307703061 346193060 /nfs/dbraw/zinc/19/30/60/346193060.db2.gz VCVCWTCRRFAUID-YUMQZZPRSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Nc1c[nH]nc1Cl 307702945 346193068 /nfs/dbraw/zinc/19/30/68/346193068.db2.gz QDDCJEVACXWZKS-RFZPGFLSSA-N 0 0 199.641 1.658 10 0 ADAERN C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F 307702325 346193072 /nfs/dbraw/zinc/19/30/72/346193072.db2.gz UBNDBRFYYPUQIF-AATLWQCWSA-N 0 0 187.258 1.644 10 0 ADAERN CC(=O)C[C@@H](C)c1c(C)cnn1C 307702638 346193106 /nfs/dbraw/zinc/19/31/06/346193106.db2.gz PPVUDCUOKBUMCD-SSDOTTSWSA-N 0 0 180.251 1.811 10 0 ADAERN C[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F 307702328 346193110 /nfs/dbraw/zinc/19/31/10/346193110.db2.gz UBNDBRFYYPUQIF-XFWSIPNHSA-N 0 0 187.258 1.644 10 0 ADAERN CCC1(CC)NC(=O)[C@@H]2CCCN21 307702037 346193138 /nfs/dbraw/zinc/19/31/38/346193138.db2.gz OIRUTNPRYQHVNK-QMMMGPOBSA-N 0 0 182.267 1.097 10 0 ADAERN NNCc1cnc2ccsc2c1 307703746 346193475 /nfs/dbraw/zinc/19/34/75/346193475.db2.gz VWVUYEURBCPZBK-UHFFFAOYSA-N 0 0 179.248 1.260 10 0 ADAERN Clc1ccn(Cc2ncccn2)n1 307703461 346193536 /nfs/dbraw/zinc/19/35/36/346193536.db2.gz VOXWINZNCMIUDU-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN C1=CO[C@@H](CNc2c[nH]cn2)CC1 307703529 346193576 /nfs/dbraw/zinc/19/35/76/346193576.db2.gz VQKGUCUNXZMIOZ-MRVPVSSYSA-N 0 0 179.223 1.514 10 0 ADAERN C1=CO[C@H](CNc2c[nH]cn2)CC1 307703530 346193644 /nfs/dbraw/zinc/19/36/44/346193644.db2.gz VQKGUCUNXZMIOZ-QMMMGPOBSA-N 0 0 179.223 1.514 10 0 ADAERN CC[C@H](O)C1(CC)CC1 307703204 346193667 /nfs/dbraw/zinc/19/36/67/346193667.db2.gz VGCMAGUOLKKPQY-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN CC[C@@H](O)C1(CC)CC1 307703203 346193752 /nfs/dbraw/zinc/19/37/52/346193752.db2.gz VGCMAGUOLKKPQY-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@@]1(C(=O)c2ccsn2)CCCO1 307704694 346193936 /nfs/dbraw/zinc/19/39/36/346193936.db2.gz UABBDOHUPPABCV-VIFPVBQESA-N 0 0 197.259 1.895 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)c1cc[nH]c1 307704281 346193967 /nfs/dbraw/zinc/19/39/67/346193967.db2.gz SLZTYEKDRNBOEK-CBAPKCEASA-N 0 0 178.235 1.401 10 0 ADAERN CSCCC(=O)N[C@H]1C[C@@H]1C 307705671 346194812 /nfs/dbraw/zinc/19/48/12/346194812.db2.gz VZVMPTVCLZEFQD-BQBZGAKWSA-N 0 0 173.281 1.264 10 0 ADAERN COc1cnccc1-c1cn[nH]c1 307705331 346194220 /nfs/dbraw/zinc/19/42/20/346194220.db2.gz YFSIDWKQSLKDKU-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN Cc1cc(-c2noc(C=O)n2)cs1 307704260 346194257 /nfs/dbraw/zinc/19/42/57/346194257.db2.gz WSPXMYMUAZWUCH-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN CC[C@H](C)[C@@H]1N[C@@](C)(CC)NC1=O 307704705 346194272 /nfs/dbraw/zinc/19/42/72/346194272.db2.gz UBOSLTXKQYEYJZ-OYNCUSHFSA-N 0 0 184.283 1.247 10 0 ADAERN Cc1cc(C(=O)OC(C)C)cnn1 307705305 346194276 /nfs/dbraw/zinc/19/42/76/346194276.db2.gz YDRQLONMCGJRJP-UHFFFAOYSA-N 0 0 180.207 1.350 10 0 ADAERN C[C@]1(C(=O)c2ccsn2)CCCO1 307704692 346194305 /nfs/dbraw/zinc/19/43/05/346194305.db2.gz UABBDOHUPPABCV-SECBINFHSA-N 0 0 197.259 1.895 10 0 ADAERN CC(=O)N1CC2(C1)CC(F)(F)C2 307704423 346194317 /nfs/dbraw/zinc/19/43/17/346194317.db2.gz WTJPZKWOLYBTNA-UHFFFAOYSA-N 0 0 175.178 1.264 10 0 ADAERN CNC(=O)NCC1(C(F)(F)F)CC1 307704422 346194325 /nfs/dbraw/zinc/19/43/25/346194325.db2.gz WTINCJXLVOOSCK-UHFFFAOYSA-N 0 0 196.172 1.258 10 0 ADAERN CC[C@H](C)[C@H]1N[C@@](C)(CC)NC1=O 307704706 346194337 /nfs/dbraw/zinc/19/43/37/346194337.db2.gz UBOSLTXKQYEYJZ-QXFUBDJGSA-N 0 0 184.283 1.247 10 0 ADAERN C/C=C/CNCc1nccs1 307704590 346194355 /nfs/dbraw/zinc/19/43/55/346194355.db2.gz SUVDUALXOVWYJI-NSCUHMNNSA-N 0 0 168.265 1.809 10 0 ADAERN CC1(NC(=O)/C=C/C2CC2)CC1 307705657 346194560 /nfs/dbraw/zinc/19/45/60/346194560.db2.gz VYQZUMYZZNLCAC-SNAWJCMRSA-N 0 0 165.236 1.621 10 0 ADAERN CSCCC(=O)N[C@@H]1C[C@@H]1C 307705672 346194605 /nfs/dbraw/zinc/19/46/05/346194605.db2.gz VZVMPTVCLZEFQD-NKWVEPMBSA-N 0 0 173.281 1.264 10 0 ADAERN Oc1ccc(NC2CSC2)cc1 307706145 346194607 /nfs/dbraw/zinc/19/46/07/346194607.db2.gz WYUPHEXIXDGTTF-UHFFFAOYSA-N 0 0 181.260 1.920 10 0 ADAERN CC(F)(F)Cc1n[nH]c(=S)[nH]1 307706200 346194640 /nfs/dbraw/zinc/19/46/40/346194640.db2.gz XBXLXSRQBVEHCQ-UHFFFAOYSA-N 0 0 179.195 1.291 10 0 ADAERN Cc1cc(NC[C@@H]2C[C@@H]2C)n(C)n1 307705983 346194648 /nfs/dbraw/zinc/19/46/48/346194648.db2.gz WURRBYBETRYOBD-CBAPKCEASA-N 0 0 179.267 1.796 10 0 ADAERN Cc1cc(NC[C@H]2C[C@H]2C)n(C)n1 307705985 346194650 /nfs/dbraw/zinc/19/46/50/346194650.db2.gz WURRBYBETRYOBD-VXNVDRBHSA-N 0 0 179.267 1.796 10 0 ADAERN COC(=O)N1CC[C@@H](C(F)(F)F)C1 307706452 346194669 /nfs/dbraw/zinc/19/46/69/346194669.db2.gz XIDLKYKMNPUWIO-RXMQYKEDSA-N 0 0 197.156 1.637 10 0 ADAERN Cc1cc(NC[C@@H]2C[C@H]2C)n(C)n1 307705982 346194682 /nfs/dbraw/zinc/19/46/82/346194682.db2.gz WURRBYBETRYOBD-APPZFPTMSA-N 0 0 179.267 1.796 10 0 ADAERN O=c1cc(-c2ccns2)nc[nH]1 307706543 346194688 /nfs/dbraw/zinc/19/46/88/346194688.db2.gz XOUQEZYXPKUWIW-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN COC(=O)N1CC[C@H](C(F)(F)F)C1 307706454 346194699 /nfs/dbraw/zinc/19/46/99/346194699.db2.gz XIDLKYKMNPUWIO-YFKPBYRVSA-N 0 0 197.156 1.637 10 0 ADAERN CSCCC(=O)N[C@@H]1C[C@H]1C 307705673 346194739 /nfs/dbraw/zinc/19/47/39/346194739.db2.gz VZVMPTVCLZEFQD-RNFRBKRXSA-N 0 0 173.281 1.264 10 0 ADAERN Cc1cc(NC[C@H]2C[C@@H]2C)n(C)n1 307705984 346194757 /nfs/dbraw/zinc/19/47/57/346194757.db2.gz WURRBYBETRYOBD-IONNQARKSA-N 0 0 179.267 1.796 10 0 ADAERN CSCC(=O)N1C[C@@H]2CCCC[C@@H]21 307705806 346194818 /nfs/dbraw/zinc/19/48/18/346194818.db2.gz YXCVUBZJICFQKX-IUCAKERBSA-N 0 0 199.319 1.750 10 0 ADAERN CSCCC(=O)N[C@H]1C[C@H]1C 307705674 346194839 /nfs/dbraw/zinc/19/48/39/346194839.db2.gz VZVMPTVCLZEFQD-RQJHMYQMSA-N 0 0 173.281 1.264 10 0 ADAERN O=C(NC1CC=CC1)C1=CCCC1 307706870 346195153 /nfs/dbraw/zinc/19/51/53/346195153.db2.gz GHVRZMDZWLBOMT-UHFFFAOYSA-N 0 0 177.247 1.932 10 0 ADAERN Cc1ccoc1C(=O)N1CCSC1 307707136 346195168 /nfs/dbraw/zinc/19/51/68/346195168.db2.gz GXRANGRKBJBXQY-UHFFFAOYSA-N 0 0 197.259 1.735 10 0 ADAERN Cc1nnc(-c2ccnc(F)c2)o1 307707978 346195176 /nfs/dbraw/zinc/19/51/76/346195176.db2.gz IDPSCPMZUUIHQS-UHFFFAOYSA-N 0 0 179.154 1.579 10 0 ADAERN C[C@@H](N[C@@H]1CCOC1)c1ccon1 307708157 346195180 /nfs/dbraw/zinc/19/51/80/346195180.db2.gz IKLJPWQXVZKVIJ-HTQZYQBOSA-N 0 0 182.223 1.114 10 0 ADAERN CNC(=O)c1scnc1C1CC1 307707542 346195215 /nfs/dbraw/zinc/19/52/15/346195215.db2.gz ZMLYQYSYCNJBFT-UHFFFAOYSA-N 0 0 182.248 1.380 10 0 ADAERN C=COCCSCCOC 307706901 346195190 /nfs/dbraw/zinc/19/51/90/346195190.db2.gz GLXRVKLDYPZZQH-UHFFFAOYSA-N 0 0 162.254 1.526 10 0 ADAERN C[C@H](N[C@H]1CCOC1)c1ccon1 307708160 346195229 /nfs/dbraw/zinc/19/52/29/346195229.db2.gz IKLJPWQXVZKVIJ-YUMQZZPRSA-N 0 0 182.223 1.114 10 0 ADAERN O=C(c1ccnnc1)c1ccc[nH]1 307707874 346195311 /nfs/dbraw/zinc/19/53/11/346195311.db2.gz ZYOQLQXWUDBOOT-UHFFFAOYSA-N 0 0 173.175 1.036 10 0 ADAERN Cc1cc(Cn2ccc(Cl)n2)no1 307708161 346195375 /nfs/dbraw/zinc/19/53/75/346195375.db2.gz IKLKWQHADJRXSA-UHFFFAOYSA-N 0 0 197.625 1.881 10 0 ADAERN Nc1ncc(CN2CC=CCC2)o1 307707996 346195386 /nfs/dbraw/zinc/19/53/86/346195386.db2.gz IEOUPGFLPLYREF-UHFFFAOYSA-N 0 0 179.223 1.019 10 0 ADAERN C[C@@H](N[C@H]1CCOC1)c1ccon1 307708159 346195402 /nfs/dbraw/zinc/19/54/02/346195402.db2.gz IKLJPWQXVZKVIJ-SFYZADRCSA-N 0 0 182.223 1.114 10 0 ADAERN CCn1nccc1CCSC 307707479 346195415 /nfs/dbraw/zinc/19/54/15/346195415.db2.gz ZFQNSGXYFYZNFZ-UHFFFAOYSA-N 0 0 170.281 1.809 10 0 ADAERN CN(C)C(=O)N1CCCC12CCC2 307707955 346195444 /nfs/dbraw/zinc/19/54/44/346195444.db2.gz IBKBAJBPOVPWHP-UHFFFAOYSA-N 0 0 182.267 1.687 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)Nc1cnns1 307706890 346195455 /nfs/dbraw/zinc/19/54/55/346195455.db2.gz GKPBVRSOVLRCHV-WHFBIAKZSA-N 0 0 198.251 1.068 10 0 ADAERN C[C@H]1C[C@H]1NC(=O)Nc1cnns1 307706888 346195516 /nfs/dbraw/zinc/19/55/16/346195516.db2.gz GKPBVRSOVLRCHV-CRCLSJGQSA-N 0 0 198.251 1.068 10 0 ADAERN CC1CN(C(=O)Cc2cccs2)C1 307707941 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/nfs/dbraw/zinc/20/37/39/346203739.db2.gz UFLPSIHRHVRMQN-ZCFIWIBFSA-N 0 0 131.219 1.647 10 0 ADAERN CC(=O)Cn1ccc(Cl)n1 307723086 346203750 /nfs/dbraw/zinc/20/37/50/346203750.db2.gz TVXCUNJJQYJVSM-UHFFFAOYSA-N 0 0 158.588 1.126 10 0 ADAERN C[C@@H]([NH3+])c1c[nH]c(-c2nccs2)n1 307723611 346203777 /nfs/dbraw/zinc/20/37/77/346203777.db2.gz VRJXYNDGPHDKGW-RXMQYKEDSA-N 0 0 194.263 1.553 10 0 ADAERN CSCC(=O)NCCC(C)C 307855966 346230612 /nfs/dbraw/zinc/23/06/12/346230612.db2.gz CPQACAXJFAEJCP-UHFFFAOYSA-N 0 0 175.297 1.512 10 0 ADAERN O=c1[nH]cncc1-c1ccsn1 307724303 346203991 /nfs/dbraw/zinc/20/39/91/346203991.db2.gz XVUSVEGWCNKOAJ-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cc1ncc([C@@]2(F)CCC[NH2+]C2)n1C 307724187 346204171 /nfs/dbraw/zinc/20/41/71/346204171.db2.gz XKJQEFRDSQLKTL-SNVBAGLBSA-N 0 0 197.257 1.277 10 0 ADAERN Cc1ncc(C(=O)C2(C)CC2)n1C 307724328 346204178 /nfs/dbraw/zinc/20/41/78/346204178.db2.gz XYYIYRNPHADLJC-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN CNC(=O)[C@@H]1C[C@@H]1C1CCC1 307724580 346204188 /nfs/dbraw/zinc/20/41/88/346204188.db2.gz YSFYGLXGWHFVFU-HTQZYQBOSA-N 0 0 153.225 1.169 10 0 ADAERN Cc1ncc([C@]2(F)CCC[NH2+]C2)n1C 307724186 346204266 /nfs/dbraw/zinc/20/42/66/346204266.db2.gz XKJQEFRDSQLKTL-JTQLQIEISA-N 0 0 197.257 1.277 10 0 ADAERN Cn1cc(-c2cccc(=S)[nH]2)nn1 307723978 346204279 /nfs/dbraw/zinc/20/42/79/346204279.db2.gz WVGOWDHPYWJAAG-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN CNC(=O)[C@H]1C[C@H]1C1CCC1 307724583 346204311 /nfs/dbraw/zinc/20/43/11/346204311.db2.gz YSFYGLXGWHFVFU-YUMQZZPRSA-N 0 0 153.225 1.169 10 0 ADAERN c1ccc(CNc2c[nH]cn2)nc1 307724747 346204523 /nfs/dbraw/zinc/20/45/23/346204523.db2.gz ZIPQSNVOLPRYLK-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN CC1CN(C(=O)c2cc[nH]c2)C1 307724785 346204537 /nfs/dbraw/zinc/20/45/37/346204537.db2.gz ZMOIMNZOVUMNSR-UHFFFAOYSA-N 0 0 164.208 1.107 10 0 ADAERN Cn1ccnc1-c1cnc(C=O)s1 307725533 346204655 /nfs/dbraw/zinc/20/46/55/346204655.db2.gz BZMRJFAGAWYNJR-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1ccnc2cc[nH]c12 307725025 346204683 /nfs/dbraw/zinc/20/46/83/346204683.db2.gz BHPWHIPGPRUTKQ-UHFFFAOYSA-N 0 0 132.166 1.823 10 0 ADAERN Cc1cc(-c2cn[nH]c2)n(C)n1 307725313 346204690 /nfs/dbraw/zinc/20/46/90/346204690.db2.gz BQTLTMTWFRXCKJ-UHFFFAOYSA-N 0 0 162.196 1.119 10 0 ADAERN CC(C)[C@H](C)NC(=O)C1CC(=O)C1 307725361 346204694 /nfs/dbraw/zinc/20/46/94/346204694.db2.gz AXEOIKPKENLASO-ZETCQYMHSA-N 0 0 183.251 1.126 10 0 ADAERN CCCC[S@@](=O)[C@@H]1CCOC1 307725525 346204698 /nfs/dbraw/zinc/20/46/98/346204698.db2.gz BYWADHQCXONCRE-LDYMZIIASA-N 0 0 176.281 1.324 10 0 ADAERN CCCC[S@@](=O)[C@H]1CCOC1 307725518 346204705 /nfs/dbraw/zinc/20/47/05/346204705.db2.gz BYWADHQCXONCRE-GZMMTYOYSA-N 0 0 176.281 1.324 10 0 ADAERN CCCC[S@](=O)[C@H]1CCOC1 307725523 346204707 /nfs/dbraw/zinc/20/47/07/346204707.db2.gz BYWADHQCXONCRE-KWQFWETISA-N 0 0 176.281 1.324 10 0 ADAERN CC(C)[C@@H](C)NC(=O)C1CC(=O)C1 307725360 346204739 /nfs/dbraw/zinc/20/47/39/346204739.db2.gz AXEOIKPKENLASO-SSDOTTSWSA-N 0 0 183.251 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Cc1ncc([C@H]2CC(=O)N[C@H]2C)s1 307738014 346211614 /nfs/dbraw/zinc/21/16/14/346211614.db2.gz VVHBBOKDIHGHSR-FSPLSTOPSA-N 0 0 196.275 1.444 10 0 ADAERN Cc1ncc([C@@H]2CC(=O)N[C@H]2C)s1 307738013 346211616 /nfs/dbraw/zinc/21/16/16/346211616.db2.gz VVHBBOKDIHGHSR-CAHLUQPWSA-N 0 0 196.275 1.444 10 0 ADAERN CC[C@H]1C[C@H]1c1nnc(N)o1 307737842 346211650 /nfs/dbraw/zinc/21/16/50/346211650.db2.gz VPOGOBXTZVZXFE-CRCLSJGQSA-N 0 0 153.185 1.165 10 0 ADAERN CC[C@H]1C[C@@H]1c1nnc(N)o1 307737844 346211652 /nfs/dbraw/zinc/21/16/52/346211652.db2.gz VPOGOBXTZVZXFE-WHFBIAKZSA-N 0 0 153.185 1.165 10 0 ADAERN CC[C@@H]1C[C@@H]1c1nnc(N)o1 307737843 346211661 /nfs/dbraw/zinc/21/16/61/346211661.db2.gz VPOGOBXTZVZXFE-UHNVWZDZSA-N 0 0 153.185 1.165 10 0 ADAERN CC(C)[S@@](=O)Nc1ccccc1N 307736903 346211672 /nfs/dbraw/zinc/21/16/72/346211672.db2.gz SYFUDCHPEAWUSV-CYBMUJFWSA-N 0 0 198.291 1.753 10 0 ADAERN CC(C)[S@](=O)Nc1ccccc1N 307736905 346211697 /nfs/dbraw/zinc/21/16/97/346211697.db2.gz SYFUDCHPEAWUSV-ZDUSSCGKSA-N 0 0 198.291 1.753 10 0 ADAERN C[C@@H](N1CCC(=O)C1)C(C)(F)F 307738040 346211764 /nfs/dbraw/zinc/21/17/64/346211764.db2.gz VYFXISDSAURQLV-ZCFIWIBFSA-N 0 0 177.194 1.305 10 0 ADAERN Cc1ncc([C@H]2CC(=O)N[C@@H]2C)s1 307738017 346211829 /nfs/dbraw/zinc/21/18/29/346211829.db2.gz VVHBBOKDIHGHSR-VDTYLAMSSA-N 0 0 196.275 1.444 10 0 ADAERN Clc1cncc(N2CCCO2)n1 307738694 346212051 /nfs/dbraw/zinc/21/20/51/346212051.db2.gz XJSADIXTLOLZPH-UHFFFAOYSA-N 0 0 185.614 1.272 10 0 ADAERN C[C@H](Nc1cc(F)ncn1)C(F)F 307738606 346212088 /nfs/dbraw/zinc/21/20/88/346212088.db2.gz XDANUILMDVHXQS-BYPYZUCNSA-N 0 0 191.156 1.681 10 0 ADAERN C[C@@H](Nc1cc(F)ncn1)C(F)F 307738607 346212099 /nfs/dbraw/zinc/21/20/99/346212099.db2.gz XDANUILMDVHXQS-SCSAIBSYSA-N 0 0 191.156 1.681 10 0 ADAERN C[C@H]1[C@H](C)C[C@H]1Nc1ncns1 307738573 346212180 /nfs/dbraw/zinc/21/21/80/346212180.db2.gz XAVVFHZVGRDWQJ-DSYKOEDSSA-N 0 0 183.280 1.995 10 0 ADAERN C[C@@H]1C[C@H](Nc2ncns2)[C@@H]1C 307738575 346212262 /nfs/dbraw/zinc/21/22/62/346212262.db2.gz XAVVFHZVGRDWQJ-QYNIQEEDSA-N 0 0 183.280 1.995 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ncns2)[C@@H]1C 307738574 346212302 /nfs/dbraw/zinc/21/23/02/346212302.db2.gz XAVVFHZVGRDWQJ-FSDSQADBSA-N 0 0 183.280 1.995 10 0 ADAERN CCCOC(=O)Nc1cc[nH]n1 307738392 346212349 /nfs/dbraw/zinc/21/23/49/346212349.db2.gz WTKHAJYGMDNAJG-UHFFFAOYSA-N 0 0 169.184 1.368 10 0 ADAERN C[C@@H]1[C@@H](Nc2ncns2)C[C@H]1C 307738576 346212360 /nfs/dbraw/zinc/21/23/60/346212360.db2.gz XAVVFHZVGRDWQJ-VQVTYTSYSA-N 0 0 183.280 1.995 10 0 ADAERN CCSCCCS(C)(=O)=O 307740672 346212484 /nfs/dbraw/zinc/21/24/84/346212484.db2.gz HXMYVQSEDYPTFW-UHFFFAOYSA-N 0 0 182.310 1.174 10 0 ADAERN CCCn1c(C)c(C)[nH]c1=O 307740294 346212515 /nfs/dbraw/zinc/21/25/15/346212515.db2.gz HGRWAMJQNCLDKX-UHFFFAOYSA-N 0 0 154.213 1.203 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)N1CC[C@H]1C 307740221 346212547 /nfs/dbraw/zinc/21/25/47/346212547.db2.gz HBYDIRSLGBMXCI-HLTSFMKQSA-N 0 0 182.267 1.589 10 0 ADAERN C[C@H]1CCN1C(=O)N[C@@H]1CC[C@H]1C 307740222 346212594 /nfs/dbraw/zinc/21/25/94/346212594.db2.gz HBYDIRSLGBMXCI-HRDYMLBCSA-N 0 0 182.267 1.589 10 0 ADAERN Cn1nccc1NCC1(F)CC1 307740604 346212604 /nfs/dbraw/zinc/21/26/04/346212604.db2.gz HTAQWZSKDZONNP-UHFFFAOYSA-N 0 0 169.203 1.334 10 0 ADAERN CONC(=O)Nc1ccccc1O 307740197 346212782 /nfs/dbraw/zinc/21/27/82/346212782.db2.gz GZWKEJDFDCKDJN-UHFFFAOYSA-N 0 0 182.179 1.075 10 0 ADAERN C[C@H]1CCN1C(=O)N[C@H]1CC[C@H]1C 307740224 346212840 /nfs/dbraw/zinc/21/28/40/346212840.db2.gz HBYDIRSLGBMXCI-VGMNWLOBSA-N 0 0 182.267 1.589 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)N1CC[C@H]1C 307740223 346212880 /nfs/dbraw/zinc/21/28/80/346212880.db2.gz HBYDIRSLGBMXCI-IWSPIJDZSA-N 0 0 182.267 1.589 10 0 ADAERN C[C@H](NC(=O)c1cocn1)C1CC1 307740869 346212902 /nfs/dbraw/zinc/21/29/02/346212902.db2.gz IBCCSWSCPNOIAK-LURJTMIESA-N 0 0 180.207 1.203 10 0 ADAERN Cc1cccc(N[C@@H](C)[C@@H](C)O)n1 307742399 346213024 /nfs/dbraw/zinc/21/30/24/346213024.db2.gz KMCUYLMYAQUPFY-DTWKUNHWSA-N 0 0 180.251 1.571 10 0 ADAERN CC(C)[C@H](C)[C@@H]1CC(=O)N[C@@H]1C 307742069 346213037 /nfs/dbraw/zinc/21/30/37/346213037.db2.gz JVOHMOAHHAKOJF-YIZRAAEISA-N 0 0 169.268 1.803 10 0 ADAERN OCc1nnc(NC2CC=CC2)s1 307741443 346213055 /nfs/dbraw/zinc/21/30/55/346213055.db2.gz IXRZXOGDWMICEV-UHFFFAOYSA-N 0 0 197.263 1.161 10 0 ADAERN Cc1cccc(N[C@H](C)[C@H](C)O)n1 307742398 346213093 /nfs/dbraw/zinc/21/30/93/346213093.db2.gz KMCUYLMYAQUPFY-BDAKNGLRSA-N 0 0 180.251 1.571 10 0 ADAERN Cc1cccc(N[C@H](C)[C@@H](C)O)n1 307742401 346213098 /nfs/dbraw/zinc/21/30/98/346213098.db2.gz KMCUYLMYAQUPFY-RKDXNWHRSA-N 0 0 180.251 1.571 10 0 ADAERN C[C@H]1CCN(C(=O)N(C)C2CC2)C1 307742141 346213111 /nfs/dbraw/zinc/21/31/11/346213111.db2.gz KEJVCRYLNWJNHX-QMMMGPOBSA-N 0 0 182.267 1.542 10 0 ADAERN O=C1CCC[C@@H]1Cc1cnns1 307741472 346213117 /nfs/dbraw/zinc/21/31/17/346213117.db2.gz IZSSHMCHJNFTEG-ZCFIWIBFSA-N 0 0 182.248 1.450 10 0 ADAERN CC[C@H](NC(N)=O)C(C)(C)C 307741455 346213119 /nfs/dbraw/zinc/21/31/19/346213119.db2.gz IYIXRPDYNVVHHC-LURJTMIESA-N 0 0 158.245 1.479 10 0 ADAERN CCc1noc(-c2cnns2)n1 307740947 346213136 /nfs/dbraw/zinc/21/31/36/346213136.db2.gz IHJRPJWRKBBIRN-UHFFFAOYSA-N 0 0 182.208 1.151 10 0 ADAERN CN(C(=O)C(C)(C)C)c1nncs1 307741598 346213150 /nfs/dbraw/zinc/21/31/50/346213150.db2.gz JDSJVMPMYWDDLP-UHFFFAOYSA-N 0 0 199.279 1.547 10 0 ADAERN Cc1ncn(CCC2(O)CC2)c1C 307741889 346213161 /nfs/dbraw/zinc/21/31/61/346213161.db2.gz JUJKTPDCUAVZNX-UHFFFAOYSA-N 0 0 180.251 1.415 10 0 ADAERN O=C1CCC[C@H]1Cc1cnns1 307741471 346213234 /nfs/dbraw/zinc/21/32/34/346213234.db2.gz IZSSHMCHJNFTEG-LURJTMIESA-N 0 0 182.248 1.450 10 0 ADAERN CC(C)[C@H](C)[C@@H]1CC(=O)N[C@H]1C 307742066 346213266 /nfs/dbraw/zinc/21/32/66/346213266.db2.gz JVOHMOAHHAKOJF-CIUDSAMLSA-N 0 0 169.268 1.803 10 0 ADAERN CC(C)[C@H](C)[C@H]1CC(=O)N[C@@H]1C 307742067 346213289 /nfs/dbraw/zinc/21/32/89/346213289.db2.gz JVOHMOAHHAKOJF-DJLDLDEBSA-N 0 0 169.268 1.803 10 0 ADAERN Cc1cccc(N[C@@H](C)[C@H](C)O)n1 307742400 346213292 /nfs/dbraw/zinc/21/32/92/346213292.db2.gz KMCUYLMYAQUPFY-IUCAKERBSA-N 0 0 180.251 1.571 10 0 ADAERN CC[C@H](C)NC(=O)C1=CCC1 307741184 346213329 /nfs/dbraw/zinc/21/33/29/346213329.db2.gz IKWQBVOMFAOXMS-ZETCQYMHSA-N 0 0 153.225 1.621 10 0 ADAERN CNC(=S)NOC1CCCCC1 307741825 346213332 /nfs/dbraw/zinc/21/33/32/346213332.db2.gz JOTTYYBRUBNAMF-UHFFFAOYSA-N 0 0 188.296 1.345 10 0 ADAERN CC(C)[C@H](C)[C@H]1CC(=O)N[C@H]1C 307742068 346213384 /nfs/dbraw/zinc/21/33/84/346213384.db2.gz JVOHMOAHHAKOJF-XHNCKOQMSA-N 0 0 169.268 1.803 10 0 ADAERN CC[C@@H](NC(N)=O)C(C)(C)C 307741456 346213443 /nfs/dbraw/zinc/21/34/43/346213443.db2.gz IYIXRPDYNVVHHC-ZCFIWIBFSA-N 0 0 158.245 1.479 10 0 ADAERN CCN=C1N=NC(C2CC2)CS1 307743471 346213770 /nfs/dbraw/zinc/21/37/70/346213770.db2.gz MGIOXDOIGLQJLG-UHFFFAOYSA-N 0 0 183.280 1.465 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1ccno1 307743640 346213818 /nfs/dbraw/zinc/21/38/18/346213818.db2.gz MLEWFVDDOBABRJ-BQBZGAKWSA-N 0 0 180.207 1.203 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1ccno1 307743641 346213908 /nfs/dbraw/zinc/21/39/08/346213908.db2.gz MLEWFVDDOBABRJ-NKWVEPMBSA-N 0 0 180.207 1.203 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)c1ccno1 307743642 346213969 /nfs/dbraw/zinc/21/39/69/346213969.db2.gz MLEWFVDDOBABRJ-RNFRBKRXSA-N 0 0 180.207 1.203 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1ccno1 307743643 346213995 /nfs/dbraw/zinc/21/39/95/346213995.db2.gz MLEWFVDDOBABRJ-RQJHMYQMSA-N 0 0 180.207 1.203 10 0 ADAERN Cc1oncc1NC(=O)CC(C)C 307743699 346214011 /nfs/dbraw/zinc/21/40/11/346214011.db2.gz MRCKEWURWTVXQF-UHFFFAOYSA-N 0 0 182.223 1.968 10 0 ADAERN CC1CN(C(=O)[C@@H]2CCCCS2)C1 307744005 346214512 /nfs/dbraw/zinc/21/45/12/346214512.db2.gz NRDVENNNBOCTPF-VIFPVBQESA-N 0 0 199.319 1.750 10 0 ADAERN CCN(C)C(=S)NC1(C)CC1 307743894 346214519 /nfs/dbraw/zinc/21/45/19/346214519.db2.gz NKOMJSVFXVALGS-UHFFFAOYSA-N 0 0 172.297 1.365 10 0 ADAERN CC1CN(c2ncc(F)cn2)C1 307744550 346214523 /nfs/dbraw/zinc/21/45/23/346214523.db2.gz PCTUDAQSNBAXCL-UHFFFAOYSA-N 0 0 167.187 1.072 10 0 ADAERN C[C@H]1CCCN1c1ncc[nH]c1=O 307744161 346214633 /nfs/dbraw/zinc/21/46/33/346214633.db2.gz OCTVKGKKMRLDDQ-ZETCQYMHSA-N 0 0 179.223 1.171 10 0 ADAERN C[C@@H]1CCCN1c1ncc[nH]c1=O 307744160 346214652 /nfs/dbraw/zinc/21/46/52/346214652.db2.gz OCTVKGKKMRLDDQ-SSDOTTSWSA-N 0 0 179.223 1.171 10 0 ADAERN CC1CC(C(=O)NC2CC2)C1 307744287 346214685 /nfs/dbraw/zinc/21/46/85/346214685.db2.gz OGQZIDQZKLGMBW-UHFFFAOYSA-N 0 0 153.225 1.311 10 0 ADAERN CCSc1ccc(NC(N)=O)cn1 307744018 346214703 /nfs/dbraw/zinc/21/47/03/346214703.db2.gz NSUSZBCDHQDSRD-UHFFFAOYSA-N 0 0 197.263 1.684 10 0 ADAERN CC1CN(C(=O)[C@H]2CCCCS2)C1 307744004 346214746 /nfs/dbraw/zinc/21/47/46/346214746.db2.gz NRDVENNNBOCTPF-SECBINFHSA-N 0 0 199.319 1.750 10 0 ADAERN CCC(=O)N[C@@H]1CCCC1(F)F 307745018 346215258 /nfs/dbraw/zinc/21/52/58/346215258.db2.gz QIOBUQPPODHTJT-ZCFIWIBFSA-N 0 0 177.194 1.700 10 0 ADAERN CCC(=O)N[C@H]1CCCC1(F)F 307745017 346215261 /nfs/dbraw/zinc/21/52/61/346215261.db2.gz QIOBUQPPODHTJT-LURJTMIESA-N 0 0 177.194 1.700 10 0 ADAERN CNC(=S)N1CC2(CCC2)C[C@@H]1C 307745069 346215266 /nfs/dbraw/zinc/21/52/66/346215266.db2.gz QMCFOWZKUBUEMD-QMMMGPOBSA-N 0 0 198.335 1.755 10 0 ADAERN CCc1nc2c(=O)[nH]c(C)nc2o1 307744720 346215273 /nfs/dbraw/zinc/21/52/73/346215273.db2.gz PNLWSNXVQVSXTH-UHFFFAOYSA-N 0 0 179.179 1.194 10 0 ADAERN CC(=O)N[C@@H](C)c1cnc(Cl)cn1 307744829 346215386 /nfs/dbraw/zinc/21/53/86/346215386.db2.gz PRUZPOURIOCGLI-YFKPBYRVSA-N 0 0 199.641 1.327 10 0 ADAERN CNC(=S)N1CC2(CCC2)C[C@H]1C 307745068 346215404 /nfs/dbraw/zinc/21/54/04/346215404.db2.gz QMCFOWZKUBUEMD-MRVPVSSYSA-N 0 0 198.335 1.755 10 0 ADAERN Fc1cnccc1-c1cn[nH]c1 307745145 346215409 /nfs/dbraw/zinc/21/54/09/346215409.db2.gz QUOMSEXJXWNMMC-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN Cc1cc(C(=O)[C@@H]2CCCO2)sn1 307744709 346215412 /nfs/dbraw/zinc/21/54/12/346215412.db2.gz PLSDMNCXTUDREO-ZETCQYMHSA-N 0 0 197.259 1.813 10 0 ADAERN Cc1cc(C(=O)[C@H]2CCCO2)sn1 307744708 346215437 /nfs/dbraw/zinc/21/54/37/346215437.db2.gz PLSDMNCXTUDREO-SSDOTTSWSA-N 0 0 197.259 1.813 10 0 ADAERN CC1CN(C(=O)CC(F)(F)F)C1 307745563 346216045 /nfs/dbraw/zinc/21/60/45/346216045.db2.gz SHWQQJWPUQUPRH-UHFFFAOYSA-N 0 0 181.157 1.417 10 0 ADAERN CSCCn1ccc(=O)c(C)c1 307745598 346216075 /nfs/dbraw/zinc/21/60/75/346216075.db2.gz SKDJUBQNAGIOQF-UHFFFAOYSA-N 0 0 183.276 1.520 10 0 ADAERN C[C@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1C 307746045 346216323 /nfs/dbraw/zinc/21/63/23/346216323.db2.gz UGWAPNBJHJJDCB-XAMCCFCMSA-N 0 0 153.225 1.167 10 0 ADAERN CO[C@@H]1CCC[C@@](O)(C2=COCC2)C1 307746324 346216329 /nfs/dbraw/zinc/21/63/29/346216329.db2.gz VEMJNRFNKRODJB-MNOVXSKESA-N 0 0 198.262 1.611 10 0 ADAERN Cc1cc(NCC2(F)CC2)no1 307746788 346216345 /nfs/dbraw/zinc/21/63/45/346216345.db2.gz WLDCNWAHIABWGR-UHFFFAOYSA-N 0 0 170.187 1.897 10 0 ADAERN CO[C@@H]1CCC[C@](O)(C2=COCC2)C1 307746323 346216357 /nfs/dbraw/zinc/21/63/57/346216357.db2.gz VEMJNRFNKRODJB-GHMZBOCLSA-N 0 0 198.262 1.611 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H]1C 307746044 346216369 /nfs/dbraw/zinc/21/63/69/346216369.db2.gz UGWAPNBJHJJDCB-DKXJUACHSA-N 0 0 153.225 1.167 10 0 ADAERN C[C@@H](Nc1cnn(C)c1)C(F)(F)F 307746406 346216381 /nfs/dbraw/zinc/21/63/81/346216381.db2.gz VGHLPIRPFFMZAJ-RXMQYKEDSA-N 0 0 193.172 1.783 10 0 ADAERN CC(=O)N[C@H](C)c1ccc(Cl)nc1 307746171 346216410 /nfs/dbraw/zinc/21/64/10/346216410.db2.gz UQKSUACDWWIBND-ZCFIWIBFSA-N 0 0 198.653 1.932 10 0 ADAERN C[C@H](Nc1cnn(C)c1)C(F)(F)F 307746407 346216453 /nfs/dbraw/zinc/21/64/53/346216453.db2.gz VGHLPIRPFFMZAJ-YFKPBYRVSA-N 0 0 193.172 1.783 10 0 ADAERN Cc1coc(NCC2(C)COC2)n1 307745901 346216502 /nfs/dbraw/zinc/21/65/02/346216502.db2.gz TWPLKIKPYMLUMJ-UHFFFAOYSA-N 0 0 182.223 1.431 10 0 ADAERN CC(=O)N[C@@H](C)c1ccc(Cl)nc1 307746170 346216516 /nfs/dbraw/zinc/21/65/16/346216516.db2.gz UQKSUACDWWIBND-LURJTMIESA-N 0 0 198.653 1.932 10 0 ADAERN CO[C@H]1CCC[C@](O)(C2=COCC2)C1 307746326 346216624 /nfs/dbraw/zinc/21/66/24/346216624.db2.gz VEMJNRFNKRODJB-WDEREUQCSA-N 0 0 198.262 1.611 10 0 ADAERN Cc1nc(CN2CC(C)C2)c[nH]1 307746305 346216702 /nfs/dbraw/zinc/21/67/02/346216702.db2.gz VBJNVLWSLZPZGY-UHFFFAOYSA-N 0 0 165.240 1.170 10 0 ADAERN CO[C@H]1CCC[C@@](O)(C2=COCC2)C1 307746325 346216743 /nfs/dbraw/zinc/21/67/43/346216743.db2.gz VEMJNRFNKRODJB-QWRGUYRKSA-N 0 0 198.262 1.611 10 0 ADAERN CCNC(=O)Nc1ncccc1F 307746844 346217043 /nfs/dbraw/zinc/21/70/43/346217043.db2.gz WTGWSMQKQFXWNT-UHFFFAOYSA-N 0 0 183.186 1.362 10 0 ADAERN c1cn2cc(NC3CC3)ncc2n1 307746960 346216968 /nfs/dbraw/zinc/21/69/68/346216968.db2.gz XCBFFOIICBIBCA-UHFFFAOYSA-N 0 0 174.207 1.304 10 0 ADAERN CCNC(=O)c1nc(Cl)cs1 307746965 346216972 /nfs/dbraw/zinc/21/69/72/346216972.db2.gz XDDOAHFNMBPEQN-UHFFFAOYSA-N 0 0 190.655 1.546 10 0 ADAERN CC1(C)SC[C@@H]1Nc1ncccn1 307747279 346217145 /nfs/dbraw/zinc/21/71/45/346217145.db2.gz YEPDFRDPPOLNHM-ZETCQYMHSA-N 0 0 195.291 1.783 10 0 ADAERN CC1(C)SC[C@H]1Nc1ncccn1 307747278 346216995 /nfs/dbraw/zinc/21/69/95/346216995.db2.gz YEPDFRDPPOLNHM-SSDOTTSWSA-N 0 0 195.291 1.783 10 0 ADAERN CCNC(=S)N[C@@H]1[C@H]2CCC[C@H]21 307747024 346217034 /nfs/dbraw/zinc/21/70/34/346217034.db2.gz XGGDMUSLFQMQPZ-JIGDXULJSA-N 0 0 184.308 1.269 10 0 ADAERN COCCC[S@](=O)[C@H](C)C(C)C 307966707 346243708 /nfs/dbraw/zinc/24/37/08/346243708.db2.gz CKCDRIKOICMUBR-SKDRFNHKSA-N 0 0 192.324 1.816 10 0 ADAERN CC1CN(C(=O)c2ccsc2)C1 307747190 346217066 /nfs/dbraw/zinc/21/70/66/346217066.db2.gz XTTJKTYBNUWPHU-UHFFFAOYSA-N 0 0 181.260 1.840 10 0 ADAERN CNC(=O)/C=C/c1cncc(C)c1 307747370 346217168 /nfs/dbraw/zinc/21/71/68/346217168.db2.gz YLMIKFXGTUDCQM-ONEGZZNKSA-N 0 0 176.219 1.149 10 0 ADAERN CNC(=O)Cc1ccc(Cl)nc1C 307746793 346217309 /nfs/dbraw/zinc/21/73/09/346217309.db2.gz WMUCRUWILTZMNN-UHFFFAOYSA-N 0 0 198.653 1.332 10 0 ADAERN CCc1nc(C2(C)CC2)n[nH]1 307746945 346217365 /nfs/dbraw/zinc/21/73/65/346217365.db2.gz XBEMDHXQXNMLQW-UHFFFAOYSA-N 0 0 151.213 1.419 10 0 ADAERN CCNc1noc(-c2ccoc2)n1 307748031 346217652 /nfs/dbraw/zinc/21/76/52/346217652.db2.gz AMXWMAUTEWBJJS-UHFFFAOYSA-N 0 0 179.179 1.761 10 0 ADAERN CNC(=O)C(C)=C1CCCC1 307747950 346217658 /nfs/dbraw/zinc/21/76/58/346217658.db2.gz AQTRWXCFEAKPSL-UHFFFAOYSA-N 0 0 153.225 1.623 10 0 ADAERN Clc1cccc(CN2CCCO2)n1 307748215 346217683 /nfs/dbraw/zinc/21/76/83/346217683.db2.gz AYKANYPPPAEHLH-UHFFFAOYSA-N 0 0 198.653 1.872 10 0 ADAERN Cc1cc(C)c(C(N)=O)cc1C=O 307747834 346217717 /nfs/dbraw/zinc/21/77/17/346217717.db2.gz ABBFKUYEQARILY-UHFFFAOYSA-N 0 0 177.203 1.215 10 0 ADAERN CC1=C(C(=O)N2CC(C)C2)CCC1 307747847 346217761 /nfs/dbraw/zinc/21/77/61/346217761.db2.gz ACSPGDBVBMZFAY-UHFFFAOYSA-N 0 0 179.263 1.965 10 0 ADAERN Cc1cc(NC(N)=O)cnc1Cl 307748631 346218318 /nfs/dbraw/zinc/21/83/18/346218318.db2.gz CMSUCHDBOVQZFI-UHFFFAOYSA-N 0 0 185.614 1.534 10 0 ADAERN CCCNC(=S)N1CC[C@@H]1C 307748693 346218404 /nfs/dbraw/zinc/21/84/04/346218404.db2.gz CUTRDEJAJRQYRM-ZETCQYMHSA-N 0 0 172.297 1.365 10 0 ADAERN CCCNC(=S)N1CC[C@H]1C 307748692 346218419 /nfs/dbraw/zinc/21/84/19/346218419.db2.gz CUTRDEJAJRQYRM-SSDOTTSWSA-N 0 0 172.297 1.365 10 0 ADAERN c1nc(NC2CCOCC2)c[nH]1 307748638 346218430 /nfs/dbraw/zinc/21/84/30/346218430.db2.gz COOIYEKHCXRBPH-UHFFFAOYSA-N 0 0 167.212 1.001 10 0 ADAERN Cc1c[n+]([O-])ccc1NCC(C)C 307749438 346218692 /nfs/dbraw/zinc/21/86/92/346218692.db2.gz GQPQGFLNJQKTCV-UHFFFAOYSA-N 0 0 180.251 1.696 10 0 ADAERN C/C=C(/C)C(=O)NC1CC=CC1 307749069 346218721 /nfs/dbraw/zinc/21/87/21/346218721.db2.gz FETOOMLMRYAPJK-BAQGIRSFSA-N 0 0 165.236 1.787 10 0 ADAERN CC(C)NC(=O)c1cc[nH]c(=S)c1 307749232 346218751 /nfs/dbraw/zinc/21/87/51/346218751.db2.gz FWHYLJDAIHTIAS-UHFFFAOYSA-N 0 0 196.275 1.882 10 0 ADAERN CCCOC(=O)Nc1ccon1 307749523 346218816 /nfs/dbraw/zinc/21/88/16/346218816.db2.gz GXLYJNOQYLQPFR-UHFFFAOYSA-N 0 0 170.168 1.633 10 0 ADAERN Cc1nc(NC(=O)C(C)C)[nH]c1C 307749590 346218846 /nfs/dbraw/zinc/21/88/46/346218846.db2.gz HGCHRXKZGHGDFZ-UHFFFAOYSA-N 0 0 181.239 1.621 10 0 ADAERN Cc1coc(NCC(F)F)n1 307749217 346218852 /nfs/dbraw/zinc/21/88/52/346218852.db2.gz FUSPXKNVCVWZLN-UHFFFAOYSA-N 0 0 162.139 1.660 10 0 ADAERN CON(C)c1cc(C)c(C)cc1N 307749168 346218903 /nfs/dbraw/zinc/21/89/03/346218903.db2.gz FNYWPTRCKMGSDI-UHFFFAOYSA-N 0 0 180.251 1.883 10 0 ADAERN CC(C)(C)CNc1cc[nH]n1 307749927 346219367 /nfs/dbraw/zinc/21/93/67/346219367.db2.gz IGLRIZHDTGOYFV-UHFFFAOYSA-N 0 0 153.229 1.868 10 0 ADAERN O=C1CN[C@H](c2cccc(Cl)c2)N1 307749904 346219371 /nfs/dbraw/zinc/21/93/71/346219371.db2.gz IELCHWGFRRCRRC-VIFPVBQESA-N 0 0 196.637 1.058 10 0 ADAERN c1nc(NCc2ccoc2)c[nH]1 307750409 346219377 /nfs/dbraw/zinc/21/93/77/346219377.db2.gz JWEXWFIDBAPIBK-UHFFFAOYSA-N 0 0 163.180 1.615 10 0 ADAERN O=C(c1cnccn1)c1ccsn1 307749765 346219419 /nfs/dbraw/zinc/21/94/19/346219419.db2.gz HWULHOZPRDKRFY-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN CCn1ncnc1[C@@]1(C)CC[C@H](O)C1 307750405 346219433 /nfs/dbraw/zinc/21/94/33/346219433.db2.gz JVPJFTJJGMWDKG-WPRPVWTQSA-N 0 0 195.266 1.101 10 0 ADAERN CC(=O)[C@@H](C)S[C@@H]1CCCO1 307749890 346219457 /nfs/dbraw/zinc/21/94/57/346219457.db2.gz IDGPMENXNJDVHB-HTQZYQBOSA-N 0 0 174.265 1.834 10 0 ADAERN O=C1CN[C@@H](c2cccc(Cl)c2)N1 307749903 346219470 /nfs/dbraw/zinc/21/94/70/346219470.db2.gz IELCHWGFRRCRRC-SECBINFHSA-N 0 0 196.637 1.058 10 0 ADAERN CC(=O)[C@H](C)S[C@H]1CCCO1 307749893 346219481 /nfs/dbraw/zinc/21/94/81/346219481.db2.gz IDGPMENXNJDVHB-YUMQZZPRSA-N 0 0 174.265 1.834 10 0 ADAERN CNC(=O)[C@H](SC)C(C)(C)C 307750098 346219493 /nfs/dbraw/zinc/21/94/93/346219493.db2.gz IUUGJMDWWAYLLU-LURJTMIESA-N 0 0 175.297 1.510 10 0 ADAERN CCn1ncnc1[C@@]1(C)CC[C@@H](O)C1 307750403 346219505 /nfs/dbraw/zinc/21/95/05/346219505.db2.gz JVPJFTJJGMWDKG-SCZZXKLOSA-N 0 0 195.266 1.101 10 0 ADAERN CC(=O)[C@H](C)S[C@@H]1CCCO1 307749891 346219534 /nfs/dbraw/zinc/21/95/34/346219534.db2.gz IDGPMENXNJDVHB-JGVFFNPUSA-N 0 0 174.265 1.834 10 0 ADAERN CCNC(=O)CC(C)(F)F 307749884 346219535 /nfs/dbraw/zinc/21/95/35/346219535.db2.gz ICXNBLITOZZTNG-UHFFFAOYSA-N 0 0 151.156 1.168 10 0 ADAERN CC(=O)[C@@H](C)S[C@H]1CCCO1 307749892 346219575 /nfs/dbraw/zinc/21/95/75/346219575.db2.gz IDGPMENXNJDVHB-SFYZADRCSA-N 0 0 174.265 1.834 10 0 ADAERN CNC(=O)[C@@H](SC)C(C)(C)C 307750099 346219643 /nfs/dbraw/zinc/21/96/43/346219643.db2.gz IUUGJMDWWAYLLU-ZCFIWIBFSA-N 0 0 175.297 1.510 10 0 ADAERN CCn1ncnc1[C@]1(C)CC[C@H](O)C1 307750404 346219676 /nfs/dbraw/zinc/21/96/76/346219676.db2.gz JVPJFTJJGMWDKG-WCBMZHEXSA-N 0 0 195.266 1.101 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)NC(=N)C(C)(C)C 307750196 346219716 /nfs/dbraw/zinc/21/97/16/346219716.db2.gz JCDUCPQBQSLJOR-RNFRBKRXSA-N 0 0 182.267 1.782 10 0 ADAERN c1coc(NCc2cc[nH]c2)n1 307749885 346219719 /nfs/dbraw/zinc/21/97/19/346219719.db2.gz ICYCZPFABKKCPC-UHFFFAOYSA-N 0 0 163.180 1.615 10 0 ADAERN CCn1ncnc1[C@]1(C)CC[C@@H](O)C1 307750402 346219729 /nfs/dbraw/zinc/21/97/29/346219729.db2.gz JVPJFTJJGMWDKG-PSASIEDQSA-N 0 0 195.266 1.101 10 0 ADAERN O=C1CCC(O)(c2ccsn2)CC1 307751208 346219994 /nfs/dbraw/zinc/21/99/94/346219994.db2.gz NDNKTEYOATVGLZ-UHFFFAOYSA-N 0 0 197.259 1.474 10 0 ADAERN CCc1oc(C(=O)N(C)C)cc1C 307751216 346220025 /nfs/dbraw/zinc/22/00/25/346220025.db2.gz NEFCZKIGJRFLSG-UHFFFAOYSA-N 0 0 181.235 1.852 10 0 ADAERN CCC(=O)Nc1c[nH]nc1Cl 307750596 346220086 /nfs/dbraw/zinc/22/00/86/346220086.db2.gz KQGXKHYFMQINTE-UHFFFAOYSA-N 0 0 173.603 1.412 10 0 ADAERN CC(C)[C@@H](C)NC(=O)C1=CCC1 307750860 346220119 /nfs/dbraw/zinc/22/01/19/346220119.db2.gz LKYIMVMZSZBOSS-MRVPVSSYSA-N 0 0 167.252 1.867 10 0 ADAERN CC(C)[C@H](C)NC(=O)C1=CCC1 307750861 346220202 /nfs/dbraw/zinc/22/02/02/346220202.db2.gz LKYIMVMZSZBOSS-QMMMGPOBSA-N 0 0 167.252 1.867 10 0 ADAERN CN(C)c1nc(=O)c2sccc2[nH]1 307751209 346220297 /nfs/dbraw/zinc/22/02/97/346220297.db2.gz NDOZNXNVRUNGGO-UHFFFAOYSA-N 0 0 195.247 1.463 10 0 ADAERN Cc1noc(-c2[nH]c(C)cc2C)n1 307750896 346220383 /nfs/dbraw/zinc/22/03/83/346220383.db2.gz LREMCJSFUYPYKR-UHFFFAOYSA-N 0 0 177.207 1.990 10 0 ADAERN CCC[C@H]1NC(=O)[C@]1(C)CC 307751532 346220849 /nfs/dbraw/zinc/22/08/49/346220849.db2.gz OIOJMFNROIKYSN-VXNVDRBHSA-N 0 0 155.241 1.701 10 0 ADAERN CCC[C@@H]1NC(=O)[C@]1(C)CC 307751531 346220836 /nfs/dbraw/zinc/22/08/36/346220836.db2.gz OIOJMFNROIKYSN-IONNQARKSA-N 0 0 155.241 1.701 10 0 ADAERN CNC(=O)C[C@@H](C)C(C)C 307751620 346220844 /nfs/dbraw/zinc/22/08/44/346220844.db2.gz ORBDQINKMRLBAY-SSDOTTSWSA-N 0 0 143.230 1.415 10 0 ADAERN COc1ccc(N[C@H](C)CO)cc1F 307751818 346220936 /nfs/dbraw/zinc/22/09/36/346220936.db2.gz PLONDFQNZJDGNX-SSDOTTSWSA-N 0 0 199.225 1.627 10 0 ADAERN CNC(=O)C[C@H](C)n1cccc1 307751321 346220960 /nfs/dbraw/zinc/22/09/60/346220960.db2.gz NPBVOHYIFOIQEP-QMMMGPOBSA-N 0 0 166.224 1.185 10 0 ADAERN CCC[C@@H]1NC(=O)[C@@]1(C)CC 307751530 346220977 /nfs/dbraw/zinc/22/09/77/346220977.db2.gz OIOJMFNROIKYSN-CBAPKCEASA-N 0 0 155.241 1.701 10 0 ADAERN Cc1n[nH]cc1NC(=O)C(C)(C)C 307751615 346220994 /nfs/dbraw/zinc/22/09/94/346220994.db2.gz OQWHXTNNTSXZMU-UHFFFAOYSA-N 0 0 181.239 1.703 10 0 ADAERN CCC[C@H]1NC(=O)[C@@]1(C)CC 307751529 346221038 /nfs/dbraw/zinc/22/10/38/346221038.db2.gz OIOJMFNROIKYSN-APPZFPTMSA-N 0 0 155.241 1.701 10 0 ADAERN CC(F)(F)[C@H](N)c1ccncc1F 307752512 346221442 /nfs/dbraw/zinc/22/14/42/346221442.db2.gz RXYNOKQPDJTEDW-SSDOTTSWSA-N 0 0 190.168 1.876 10 0 ADAERN CC(F)(F)C(=O)N[C@H]1CC[C@@H](F)C1 307751942 346221451 /nfs/dbraw/zinc/22/14/51/346221451.db2.gz PWRAQHVTXMZAAG-RITPCOANSA-N 0 0 195.184 1.648 10 0 ADAERN c1cc(-c2nnc(C3CC3)o2)n[nH]1 307751966 346221476 /nfs/dbraw/zinc/22/14/76/346221476.db2.gz QAKFLGWBTAAKKF-UHFFFAOYSA-N 0 0 176.179 1.337 10 0 ADAERN CSc1cc(C)ccc1C(N)=O 307752382 346221512 /nfs/dbraw/zinc/22/15/12/346221512.db2.gz RKYDSIJOVODFCI-UHFFFAOYSA-N 0 0 181.260 1.816 10 0 ADAERN CC(F)(F)C(=O)N[C@H]1CC[C@H](F)C1 307751943 346221531 /nfs/dbraw/zinc/22/15/31/346221531.db2.gz PWRAQHVTXMZAAG-WDSKDSINSA-N 0 0 195.184 1.648 10 0 ADAERN Cc1noc(-c2cc(C)n(C)n2)n1 307752505 346221541 /nfs/dbraw/zinc/22/15/41/346221541.db2.gz RWUIXBVITZPCNN-UHFFFAOYSA-N 0 0 178.195 1.087 10 0 ADAERN CC(F)(F)C(=O)N[C@@H]1CC[C@@H](F)C1 307751941 346221578 /nfs/dbraw/zinc/22/15/78/346221578.db2.gz PWRAQHVTXMZAAG-PHDIDXHHSA-N 0 0 195.184 1.648 10 0 ADAERN CC(F)(F)[C@@H](N)c1ccncc1F 307752513 346221595 /nfs/dbraw/zinc/22/15/95/346221595.db2.gz RXYNOKQPDJTEDW-ZETCQYMHSA-N 0 0 190.168 1.876 10 0 ADAERN COc1ccc(N[C@@H](C)CO)cc1F 307751819 346221702 /nfs/dbraw/zinc/22/17/02/346221702.db2.gz PLONDFQNZJDGNX-ZETCQYMHSA-N 0 0 199.225 1.627 10 0 ADAERN CC(F)(F)C(=O)N[C@@H]1CC[C@H](F)C1 307751940 346221772 /nfs/dbraw/zinc/22/17/72/346221772.db2.gz PWRAQHVTXMZAAG-NTSWFWBYSA-N 0 0 195.184 1.648 10 0 ADAERN CC[C@@H]1CCN1C(=O)N(C)CC 307970867 346245079 /nfs/dbraw/zinc/24/50/79/346245079.db2.gz GZQIMWGZZBHASY-MRVPVSSYSA-N 0 0 170.256 1.542 10 0 ADAERN CN(C)C(=O)c1cc2[nH]ccc2s1 307753498 346222159 /nfs/dbraw/zinc/22/21/59/346222159.db2.gz WAVWNCHKWFGTOL-UHFFFAOYSA-N 0 0 194.259 1.931 10 0 ADAERN CCCNC(=O)Nc1cnoc1C 307753470 346222191 /nfs/dbraw/zinc/22/21/91/346222191.db2.gz VWXRIDLCGWDFSY-UHFFFAOYSA-N 0 0 183.211 1.515 10 0 ADAERN Cc1nnc(NC[C@@H]2C[C@@H]2C)o1 307753227 346222242 /nfs/dbraw/zinc/22/22/42/346222242.db2.gz UYRJLZZVEMCWNR-FSPLSTOPSA-N 0 0 167.212 1.446 10 0 ADAERN Cc1nnc(NC[C@H]2C[C@@H]2C)o1 307753163 346222322 /nfs/dbraw/zinc/22/23/22/346222322.db2.gz UYRJLZZVEMCWNR-CAHLUQPWSA-N 0 0 167.212 1.446 10 0 ADAERN CC1(Cn2ccc(Cl)n2)COC1 307753311 346222459 /nfs/dbraw/zinc/22/24/59/346222459.db2.gz VGPNUEQFVZDDAF-UHFFFAOYSA-N 0 0 186.642 1.573 10 0 ADAERN CCc1cc(NC)nnc1C1CC1 307752696 346222514 /nfs/dbraw/zinc/22/25/14/346222514.db2.gz SINWBJUHCRIZHJ-UHFFFAOYSA-N 0 0 177.251 1.958 10 0 ADAERN Cc1ncc([C@@H]([NH3+])C2CCC2)n1C 307754073 346222850 /nfs/dbraw/zinc/22/28/50/346222850.db2.gz YCFRVOJLZJEUGC-JTQLQIEISA-N 0 0 179.267 1.528 10 0 ADAERN Cc1ncsc1C(=O)N[C@H]1C[C@H]1C 307754239 346222902 /nfs/dbraw/zinc/22/29/02/346222902.db2.gz YOQMGRDQLYPNJP-VDTYLAMSSA-N 0 0 196.275 1.590 10 0 ADAERN COC1CC(Nc2cnoc2C)C1 307753671 346222952 /nfs/dbraw/zinc/22/29/52/346222952.db2.gz WROWXRTWZIJZII-UHFFFAOYSA-N 0 0 182.223 1.572 10 0 ADAERN Cc1ncc([C@H]([NH3+])C2CCC2)n1C 307754074 346222973 /nfs/dbraw/zinc/22/29/73/346222973.db2.gz YCFRVOJLZJEUGC-SNVBAGLBSA-N 0 0 179.267 1.528 10 0 ADAERN Cc1ncsc1C(=O)N[C@H]1C[C@@H]1C 307754238 346223167 /nfs/dbraw/zinc/22/31/67/346223167.db2.gz YOQMGRDQLYPNJP-FSPLSTOPSA-N 0 0 196.275 1.590 10 0 ADAERN C=Cc1nc2ccccc2nc1N 307753995 346223201 /nfs/dbraw/zinc/22/32/01/346223201.db2.gz XTWJWLYIZBKWSW-UHFFFAOYSA-N 0 0 171.203 1.855 10 0 ADAERN CCSCCc1cnn(C)c1 307754714 346223590 /nfs/dbraw/zinc/22/35/90/346223590.db2.gz BELVXELVHUKFIL-UHFFFAOYSA-N 0 0 170.281 1.716 10 0 ADAERN O=C(NC1CC1)c1occc1Cl 307754401 346223688 /nfs/dbraw/zinc/22/36/88/346223688.db2.gz ZKRPEGHGFXATHN-UHFFFAOYSA-N 0 0 185.610 1.825 10 0 ADAERN CSCCOc1nc(C)no1 307754783 346223767 /nfs/dbraw/zinc/22/37/67/346223767.db2.gz BGKXSGTVODOBTG-UHFFFAOYSA-N 0 0 174.225 1.120 10 0 ADAERN Cc1n[nH]cc1CNc1c[nH]cn1 307754461 346223815 /nfs/dbraw/zinc/22/38/15/346223815.db2.gz ZKUVBQUQKGYTEM-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN CC[C@H](OC)C1=NC(=O)CS1 307755158 346224152 /nfs/dbraw/zinc/22/41/52/346224152.db2.gz CPZDDEXIFOBVGP-YFKPBYRVSA-N 0 0 173.237 1.946 10 0 ADAERN CCc1ccc(Cn2ccnc2)nc1 307756030 346224198 /nfs/dbraw/zinc/22/41/98/346224198.db2.gz GLUDXHXEXAGAPC-UHFFFAOYSA-N 0 0 187.246 1.889 10 0 ADAERN CCC(=O)Cn1ccc(Cl)n1 307755093 346224261 /nfs/dbraw/zinc/22/42/61/346224261.db2.gz CHTOFRVKIODBOR-UHFFFAOYSA-N 0 0 172.615 1.516 10 0 ADAERN Cc1n[nH]cc1NC(=O)CC1CC1 307755472 346224303 /nfs/dbraw/zinc/22/43/03/346224303.db2.gz DPYVWAHGEMGIFW-UHFFFAOYSA-N 0 0 179.223 1.457 10 0 ADAERN Cc1nc(NCc2ccco2)nn1C 307755524 346224321 /nfs/dbraw/zinc/22/43/21/346224321.db2.gz DTNHNAXGSGTFRR-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN CC1CC(NC(=O)N2CC[C@H]2C)C1 307755101 346224355 /nfs/dbraw/zinc/22/43/55/346224355.db2.gz CJIFRXACZOPUFG-QJAFJHJLSA-N 0 0 182.267 1.589 10 0 ADAERN CC1CC(NC(=O)N2CC[C@@H]2C)C1 307755100 346224407 /nfs/dbraw/zinc/22/44/07/346224407.db2.gz CJIFRXACZOPUFG-MGURRDGZSA-N 0 0 182.267 1.589 10 0 ADAERN CC[C@@H](OC)C1=NC(=O)CS1 307755157 346224464 /nfs/dbraw/zinc/22/44/64/346224464.db2.gz CPZDDEXIFOBVGP-RXMQYKEDSA-N 0 0 173.237 1.946 10 0 ADAERN O=Cc1ccc(N2CC=CC2)s1 307756010 346224500 /nfs/dbraw/zinc/22/45/00/346224500.db2.gz GHFZWFOMGGTAQR-UHFFFAOYSA-N 0 0 179.244 1.937 10 0 ADAERN Cc1[nH]nc(C(=O)OC(C)C)c1C 307755108 346224506 /nfs/dbraw/zinc/22/45/06/346224506.db2.gz CLGBHVAXUFQXPT-UHFFFAOYSA-N 0 0 182.223 1.592 10 0 ADAERN CCNc1cnn(C)c1C1CC1 307756221 346224709 /nfs/dbraw/zinc/22/47/09/346224709.db2.gz HEXQAYPDRRBSFT-UHFFFAOYSA-N 0 0 165.240 1.729 10 0 ADAERN CC[C@H](SC)C(=O)N[C@H]1C[C@H]1C 307982457 346247272 /nfs/dbraw/zinc/24/72/72/346247272.db2.gz POHYJTUEGFJXDW-CSMHCCOUSA-N 0 0 187.308 1.653 10 0 ADAERN CCNC(=S)N1CC[C@@H]1CC 307757574 346225077 /nfs/dbraw/zinc/22/50/77/346225077.db2.gz LUSFRTMDOTUXDM-ZETCQYMHSA-N 0 0 172.297 1.365 10 0 ADAERN CSc1nc2cc(C)[nH]c2c(=O)[nH]1 307757874 346225267 /nfs/dbraw/zinc/22/52/67/346225267.db2.gz MVVCDJOEJRCTQE-UHFFFAOYSA-N 0 0 195.247 1.694 10 0 ADAERN Fc1ccnc(NC2CCOCC2)c1 307757317 346225321 /nfs/dbraw/zinc/22/53/21/346225321.db2.gz KUYFUMIMSJZMGM-UHFFFAOYSA-N 0 0 196.225 1.812 10 0 ADAERN CCNC(=S)N1CC[C@H]1CC 307757573 346225420 /nfs/dbraw/zinc/22/54/20/346225420.db2.gz LUSFRTMDOTUXDM-SSDOTTSWSA-N 0 0 172.297 1.365 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)N1CCC1(C)C 307757544 346225489 /nfs/dbraw/zinc/22/54/89/346225489.db2.gz LQUOWSNKWOYQQM-HTQZYQBOSA-N 0 0 182.267 1.589 10 0 ADAERN CCNC(=S)N[C@@H]1[C@H]2CCCC[C@H]21 307758249 346225763 /nfs/dbraw/zinc/22/57/63/346225763.db2.gz OACWALNSCDBPCF-BRPSZJMVSA-N 0 0 198.335 1.659 10 0 ADAERN CC(=O)[C@@H](C)n1cnc(C(C)C)n1 307758549 346225798 /nfs/dbraw/zinc/22/57/98/346225798.db2.gz OZCWHCNNPUMRRK-SSDOTTSWSA-N 0 0 181.239 1.552 10 0 ADAERN CC(=O)[C@H](C)n1cnc(C(C)C)n1 307758550 346225812 /nfs/dbraw/zinc/22/58/12/346225812.db2.gz OZCWHCNNPUMRRK-ZETCQYMHSA-N 0 0 181.239 1.552 10 0 ADAERN CC(C)=C(F)C(=O)NC1CCC1 307758613 346225864 /nfs/dbraw/zinc/22/58/64/346225864.db2.gz PECSGVZUSSZCRU-UHFFFAOYSA-N 0 0 171.215 1.919 10 0 ADAERN CC(=O)c1ccc(N2CCC2)cn1 307758518 346225911 /nfs/dbraw/zinc/22/59/11/346225911.db2.gz OWTPYUMRFRJLMV-UHFFFAOYSA-N 0 0 176.219 1.494 10 0 ADAERN O=C1CCCC[C@H]1C(=O)NC1CC1 307758294 346225918 /nfs/dbraw/zinc/22/59/18/346225918.db2.gz OGCBYMWCAWNSLU-MRVPVSSYSA-N 0 0 181.235 1.024 10 0 ADAERN CCc1ccc(C(=O)OC)c(C)n1 307759548 346226260 /nfs/dbraw/zinc/22/62/60/346226260.db2.gz SDAOXHCFUDDUCZ-UHFFFAOYSA-N 0 0 179.219 1.739 10 0 ADAERN O[C@]1(Cc2ccccn2)CC[C@H]2C[C@H]21 307759022 346226263 /nfs/dbraw/zinc/22/62/63/346226263.db2.gz QLJFNFUJFHJMAI-WCQGTBRESA-N 0 0 189.258 1.785 10 0 ADAERN O[C@]1(Cc2ccccn2)CC[C@@H]2C[C@@H]21 307759021 346226664 /nfs/dbraw/zinc/22/66/64/346226664.db2.gz QLJFNFUJFHJMAI-USWWRNFRSA-N 0 0 189.258 1.785 10 0 ADAERN C[C@@H]1C[C@H](C(=O)c2cscn2)CO1 307760639 346226947 /nfs/dbraw/zinc/22/69/47/346226947.db2.gz WGZZGJHVRBRAPU-RQJHMYQMSA-N 0 0 197.259 1.751 10 0 ADAERN Cc1cncc(F)c1-c1cc[nH]n1 307760557 346226948 /nfs/dbraw/zinc/22/69/48/346226948.db2.gz WFBGWFZJDBSOFN-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN C[C@H]1[C@H](C)C[C@@]1(O)c1cnc(N)s1 307760049 346226994 /nfs/dbraw/zinc/22/69/94/346226994.db2.gz UQPSJNMMIJKVPF-JHEQGTHGSA-N 0 0 198.291 1.589 10 0 ADAERN C[C@@H]1C[C@](O)(c2cnc(N)s2)[C@@H]1C 307760048 346227005 /nfs/dbraw/zinc/22/70/05/346227005.db2.gz UQPSJNMMIJKVPF-HCVRKRLWSA-N 0 0 198.291 1.589 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)c2cscn2)CO1 307760638 346227013 /nfs/dbraw/zinc/22/70/13/346227013.db2.gz WGZZGJHVRBRAPU-RNFRBKRXSA-N 0 0 197.259 1.751 10 0 ADAERN C[C@@H]1C[C@@](O)(c2cnc(N)s2)[C@@H]1C 307760050 346227028 /nfs/dbraw/zinc/22/70/28/346227028.db2.gz UQPSJNMMIJKVPF-KCRUCZTKSA-N 0 0 198.291 1.589 10 0 ADAERN C[C@H]1[C@H](C)C[C@]1(O)c1cnc(N)s1 307760051 346227137 /nfs/dbraw/zinc/22/71/37/346227137.db2.gz UQPSJNMMIJKVPF-QIOHGKGESA-N 0 0 198.291 1.589 10 0 ADAERN CNC(=O)c1ccc(NC)s1 307760508 346227174 /nfs/dbraw/zinc/22/71/74/346227174.db2.gz VZUFMEBYNCPDGT-UHFFFAOYSA-N 0 0 170.237 1.149 10 0 ADAERN C[C@H]1C[C@H](C(=O)c2cscn2)CO1 307760636 346227240 /nfs/dbraw/zinc/22/72/40/346227240.db2.gz WGZZGJHVRBRAPU-BQBZGAKWSA-N 0 0 197.259 1.751 10 0 ADAERN CCc1nsc(N2CC(C)C2)n1 307760200 346227306 /nfs/dbraw/zinc/22/73/06/346227306.db2.gz VCPUGLFDJIVUHH-UHFFFAOYSA-N 0 0 183.280 1.557 10 0 ADAERN CSCCC(=O)Nc1nc(C)c[nH]1 307760114 346227318 /nfs/dbraw/zinc/22/73/18/346227318.db2.gz UTXPOLJTPATJEK-UHFFFAOYSA-N 0 0 199.279 1.410 10 0 ADAERN Clc1cnc(Nc2c[nH]cn2)nc1 307760553 346227353 /nfs/dbraw/zinc/22/73/53/346227353.db2.gz WEAYNSAYADLBMK-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN CCCNC(=O)C(F)=C(C)C 307759857 346227381 /nfs/dbraw/zinc/22/73/81/346227381.db2.gz UFIKMAHXTPMEGG-UHFFFAOYSA-N 0 0 159.204 1.776 10 0 ADAERN C[C@H]1C[C@@H](C(=O)c2cscn2)CO1 307760637 346227415 /nfs/dbraw/zinc/22/74/15/346227415.db2.gz WGZZGJHVRBRAPU-NKWVEPMBSA-N 0 0 197.259 1.751 10 0 ADAERN CC1(C)OC[C@H](CCF)[C@@H]1O 307761222 346227675 /nfs/dbraw/zinc/22/76/75/346227675.db2.gz YONLMQKWTUHTJD-BQBZGAKWSA-N 0 0 162.204 1.132 10 0 ADAERN CCOC(=O)N1CCCC[C@H](F)C1 307760787 346227684 /nfs/dbraw/zinc/22/76/84/346227684.db2.gz WYUJQXUBPBNLSO-QMMMGPOBSA-N 0 0 189.230 1.967 10 0 ADAERN Clc1nccc(Nc2c[nH]cn2)n1 307761366 346227707 /nfs/dbraw/zinc/22/77/07/346227707.db2.gz ZGJIIOZNTSLRML-UHFFFAOYSA-N 0 0 195.613 1.597 10 0 ADAERN C[C@@H]1CC[C@]2(COCC[NH2+]2)C[C@H]1C 307761441 346227761 /nfs/dbraw/zinc/22/77/61/346227761.db2.gz ZMTUPCNBAMOGJK-GMTAPVOTSA-N 0 0 183.295 1.801 10 0 ADAERN CCn1cc(NC2CSC2)cn1 307760762 346227751 /nfs/dbraw/zinc/22/77/51/346227751.db2.gz WWQUSGOCKBHPCJ-UHFFFAOYSA-N 0 0 183.280 1.430 10 0 ADAERN Cc1cc(C[NH+]2CCCC2)ncn1 307760885 346227765 /nfs/dbraw/zinc/22/77/65/346227765.db2.gz XLARBLAMDCEGHS-UHFFFAOYSA-N 0 0 177.251 1.381 10 0 ADAERN CC(C)[C@@H](O)CN1CC[C@@H](C)CC1=O 307761062 346227780 /nfs/dbraw/zinc/22/77/80/346227780.db2.gz YAMATGQVXSSQEM-ZJUUUORDSA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)[C@@H](O)CN1CC[C@H](C)CC1=O 307761060 346227789 /nfs/dbraw/zinc/22/77/89/346227789.db2.gz YAMATGQVXSSQEM-UWVGGRQHSA-N 0 0 199.294 1.262 10 0 ADAERN CC1(C)OC[C@@H](CCF)[C@@H]1O 307761225 346227810 /nfs/dbraw/zinc/22/78/10/346227810.db2.gz YONLMQKWTUHTJD-RQJHMYQMSA-N 0 0 162.204 1.132 10 0 ADAERN CC1(C)OC[C@H](CCF)[C@H]1O 307761223 346227876 /nfs/dbraw/zinc/22/78/76/346227876.db2.gz YONLMQKWTUHTJD-NKWVEPMBSA-N 0 0 162.204 1.132 10 0 ADAERN CC[S@](=O)CC1CCC(O)CC1 307760955 346227891 /nfs/dbraw/zinc/22/78/91/346227891.db2.gz XPNGSMISMKVVHM-KWPJZBAWSA-N 0 0 190.308 1.306 10 0 ADAERN CC(C)[C@H](O)CN1CC[C@H](C)CC1=O 307761061 346227920 /nfs/dbraw/zinc/22/79/20/346227920.db2.gz YAMATGQVXSSQEM-VHSXEESVSA-N 0 0 199.294 1.262 10 0 ADAERN CC1(C)OC[C@@H](CCF)[C@H]1O 307761224 346227961 /nfs/dbraw/zinc/22/79/61/346227961.db2.gz YONLMQKWTUHTJD-RNFRBKRXSA-N 0 0 162.204 1.132 10 0 ADAERN C[C@H]1C[C@@]2(CC[C@H]1C)COCC[NH2+]2 307761444 346227964 /nfs/dbraw/zinc/22/79/64/346227964.db2.gz ZMTUPCNBAMOGJK-VWYCJHECSA-N 0 0 183.295 1.801 10 0 ADAERN C[C@H]1C[C@]2(CC[C@H]1C)COCC[NH2+]2 307761443 346227972 /nfs/dbraw/zinc/22/79/72/346227972.db2.gz ZMTUPCNBAMOGJK-OUAUKWLOSA-N 0 0 183.295 1.801 10 0 ADAERN Cc1nnc(N[C@H]2CC[C@@H](O)C2)s1 307760977 346227987 /nfs/dbraw/zinc/22/79/87/346227987.db2.gz XRRFUOSXEZPWBJ-NKWVEPMBSA-N 0 0 199.279 1.172 10 0 ADAERN CC(C)[C@H](O)CN1CC[C@@H](C)CC1=O 307761059 346228002 /nfs/dbraw/zinc/22/80/02/346228002.db2.gz YAMATGQVXSSQEM-NXEZZACHSA-N 0 0 199.294 1.262 10 0 ADAERN CC[S@@](=O)CC1CCC(O)CC1 307760956 346228004 /nfs/dbraw/zinc/22/80/04/346228004.db2.gz XPNGSMISMKVVHM-SHVIVCPWSA-N 0 0 190.308 1.306 10 0 ADAERN C[C@@H]1CC[C@@]2(COCC[NH2+]2)C[C@H]1C 307761442 346228006 /nfs/dbraw/zinc/22/80/06/346228006.db2.gz ZMTUPCNBAMOGJK-MXWKQRLJSA-N 0 0 183.295 1.801 10 0 ADAERN CCOC(=O)N1CCCC[C@@H](F)C1 307760786 346228010 /nfs/dbraw/zinc/22/80/10/346228010.db2.gz WYUJQXUBPBNLSO-MRVPVSSYSA-N 0 0 189.230 1.967 10 0 ADAERN Cn1ccc(C(=O)c2ccsn2)n1 307761594 346228454 /nfs/dbraw/zinc/22/84/54/346228454.db2.gz ZZTQLSVHGQMMFY-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN CC(C)/C=C(\F)CO 307779490 346228477 /nfs/dbraw/zinc/22/84/77/346228477.db2.gz JWVZJSCLTAJWSJ-UTCJRWHESA-N 0 0 118.151 1.488 10 0 ADAERN C/C=C\COC(=O)CSC 307775436 346228545 /nfs/dbraw/zinc/22/85/45/346228545.db2.gz GUHTUJJFSBNYPQ-ARJAWSKDSA-N 0 0 160.238 1.469 10 0 ADAERN NC(=S)/C=C\c1ccccn1 307769828 346228616 /nfs/dbraw/zinc/22/86/16/346228616.db2.gz GISBPOLMELJPCU-PLNGDYQASA-N 0 0 164.233 1.381 10 0 ADAERN C/C=C(/CC)C(=O)NCC 307803833 346229072 /nfs/dbraw/zinc/22/90/72/346229072.db2.gz ATIQVERGOFBRPR-DAXSKMNVSA-N 0 0 141.214 1.479 10 0 ADAERN C/C(=C\CC(C)C)CO 307791285 346229330 /nfs/dbraw/zinc/22/93/30/346229330.db2.gz BKHWEGQEQJGPHH-VMPITWQZSA-N 0 0 128.215 1.971 10 0 ADAERN C[C@H]1CC/C(=C/C(N)=O)C1 307830715 346229872 /nfs/dbraw/zinc/22/98/72/346229872.db2.gz JYGUHBVUKPCGDP-ZHURGCMGSA-N 0 0 139.198 1.218 10 0 ADAERN C[C@@H]1CC/C(=C/C(N)=O)C1 307830714 346229906 /nfs/dbraw/zinc/22/99/06/346229906.db2.gz JYGUHBVUKPCGDP-XOQWBGJWSA-N 0 0 139.198 1.218 10 0 ADAERN CC(C)CCCSCC(N)=O 307850481 346229925 /nfs/dbraw/zinc/22/99/25/346229925.db2.gz AWAISYZHRMXIDI-UHFFFAOYSA-N 0 0 175.297 1.641 10 0 ADAERN C/C=C/C=C\c1nc(C)no1 307850192 346229935 /nfs/dbraw/zinc/22/99/35/346229935.db2.gz AFLOQMYZFYADJR-ICWBMWKASA-N 0 0 150.181 1.967 10 0 ADAERN C/C=C\C[S@](=O)[C@H]1CCOC1 307851340 346230002 /nfs/dbraw/zinc/23/00/02/346230002.db2.gz BMUFLDDTXRKNSZ-ANAICSTCSA-N 0 0 174.265 1.100 10 0 ADAERN CCC[C@@H](O)C/C=C\CO 307841513 346230086 /nfs/dbraw/zinc/23/00/86/346230086.db2.gz WXQXIMFDGWWMTA-TUUFMJSCSA-N 0 0 144.214 1.086 10 0 ADAERN C/C=C\C[S@](=O)[C@@H]1CCOC1 307851344 346230105 /nfs/dbraw/zinc/23/01/05/346230105.db2.gz BMUFLDDTXRKNSZ-PUPXCESUSA-N 0 0 174.265 1.100 10 0 ADAERN CCC(CC)NC(=O)CSC 307853300 346230552 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346254135 /nfs/dbraw/zinc/25/41/35/346254135.db2.gz CDGGVZMCWHDAPN-QMMMGPOBSA-N 0 0 173.256 1.184 10 0 ADAERN CSCCC(=O)N[C@H](C)C(C)C 308075073 346254150 /nfs/dbraw/zinc/25/41/50/346254150.db2.gz CQJRNVJEXGXFGC-MRVPVSSYSA-N 0 0 189.324 1.900 10 0 ADAERN CCOCCS[C@@H]1CCO[C@H]1C 308071254 346254165 /nfs/dbraw/zinc/25/41/65/346254165.db2.gz AZGMQRNUTCEATP-DTWKUNHWSA-N 0 0 190.308 1.934 10 0 ADAERN CCOCCS[C@H]1CCO[C@H]1C 308071761 346254200 /nfs/dbraw/zinc/25/42/00/346254200.db2.gz AZGMQRNUTCEATP-IUCAKERBSA-N 0 0 190.308 1.934 10 0 ADAERN COCCCC(=O)NC1CCC1 308077408 346254468 /nfs/dbraw/zinc/25/44/68/346254468.db2.gz DLPGYDKMTGSTBJ-UHFFFAOYSA-N 0 0 171.240 1.082 10 0 ADAERN Cn1cnnc1CSCCCF 308078081 346254486 /nfs/dbraw/zinc/25/44/86/346254486.db2.gz GXXLWJPXKUOTED-UHFFFAOYSA-N 0 0 189.259 1.408 10 0 ADAERN OCCOCCSCCCCF 308082296 346254710 /nfs/dbraw/zinc/25/47/10/346254710.db2.gz KNKGIDRKACHISE-UHFFFAOYSA-N 0 0 196.287 1.478 10 0 ADAERN O=C1NCC[C@H]1SCCCCF 308077487 346254711 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HRBBHIKUZJZBKI-UHFFFAOYSA-N 0 0 196.275 1.061 10 0 ADAERN CC(C)=CCN(C)Cc1cc[nH]n1 308330188 346290562 /nfs/dbraw/zinc/29/05/62/346290562.db2.gz IGFYFPVCFBGPSP-UHFFFAOYSA-N 0 0 179.267 1.808 10 0 ADAERN CC[C@@H]1CCN1C(=O)N(C)C(C)C 308328989 346290665 /nfs/dbraw/zinc/29/06/65/346290665.db2.gz HPWJQQGYTBYEBV-SECBINFHSA-N 0 0 184.283 1.931 10 0 ADAERN CCOc1ccc([C@H](CO)NO)cc1 308359877 346292200 /nfs/dbraw/zinc/29/22/00/346292200.db2.gz CKFDWLKJOMKMAU-JTQLQIEISA-N 0 0 197.234 1.098 10 0 ADAERN COC(=O)[C@H](NO)c1ccccc1F 308362120 346292322 /nfs/dbraw/zinc/29/23/22/346292322.db2.gz GZVKMVYZTZUXBR-MRVPVSSYSA-N 0 0 199.181 1.019 10 0 ADAERN CCCCCNC(=O)N[C@@H]1C[C@@H]1C 308358955 346292362 /nfs/dbraw/zinc/29/23/62/346292362.db2.gz LLYIMQFTOKWAFB-DTWKUNHWSA-N 0 0 184.283 1.884 10 0 ADAERN Cc1ccc(F)c([C@@H](CCO)NO)c1 308362592 346292376 /nfs/dbraw/zinc/29/23/76/346292376.db2.gz HZAHQGJJHNOIMR-SNVBAGLBSA-N 0 0 199.225 1.536 10 0 ADAERN CCCCCNC(=O)N[C@H]1C[C@@H]1C 308358957 346292402 /nfs/dbraw/zinc/29/24/02/346292402.db2.gz LLYIMQFTOKWAFB-IUCAKERBSA-N 0 0 184.283 1.884 10 0 ADAERN CCCCCNC(=O)N[C@H]1C[C@H]1C 308358954 346292498 /nfs/dbraw/zinc/29/24/98/346292498.db2.gz LLYIMQFTOKWAFB-BDAKNGLRSA-N 0 0 184.283 1.884 10 0 ADAERN CCCCCNC(=O)N[C@@H]1C[C@H]1C 308358958 346292625 /nfs/dbraw/zinc/29/26/25/346292625.db2.gz LLYIMQFTOKWAFB-RKDXNWHRSA-N 0 0 184.283 1.884 10 0 ADAERN COCCSCc1ccnc(C)n1 308358996 346292658 /nfs/dbraw/zinc/29/26/58/346292658.db2.gz LOAFMPVZBHWHIR-UHFFFAOYSA-N 0 0 198.291 1.665 10 0 ADAERN Cc1ccc([C@@H](CCO)NO)c(C)c1 308365442 346292998 /nfs/dbraw/zinc/29/29/98/346292998.db2.gz NAROHLSIYNECSF-LLVKDONJSA-N 0 0 195.262 1.706 10 0 ADAERN CC[C@H](NO)c1ccc(O)c(OC)c1 308365568 346293067 /nfs/dbraw/zinc/29/30/67/346293067.db2.gz NRKINPKZUWKSEC-QMMMGPOBSA-N 0 0 197.234 1.831 10 0 ADAERN CC[C@@H](NO)c1ccc(OC)c(O)c1 308366851 346293072 /nfs/dbraw/zinc/29/30/72/346293072.db2.gz QIVYNWMVNXMNSA-MRVPVSSYSA-N 0 0 197.234 1.831 10 0 ADAERN 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Cc1cc([C@H](CCO)NO)ccc1F 308382834 346295246 /nfs/dbraw/zinc/29/52/46/346295246.db2.gz YDIZCVBSSASJLX-JTQLQIEISA-N 0 0 199.225 1.536 10 0 ADAERN COC(=O)[C@@H](NO)c1ccccc1F 308385427 346295314 /nfs/dbraw/zinc/29/53/14/346295314.db2.gz GZVKMVYZTZUXBR-QMMMGPOBSA-N 0 0 199.181 1.019 10 0 ADAERN CCOc1ccccc1[C@@H](CO)NO 308382119 346295414 /nfs/dbraw/zinc/29/54/14/346295414.db2.gz WTASPQCHXFDVNP-SECBINFHSA-N 0 0 197.234 1.098 10 0 ADAERN Cc1ccc([C@H](CCO)NO)cc1F 308387553 346295915 /nfs/dbraw/zinc/29/59/15/346295915.db2.gz OZNANWDPVYPSNQ-JTQLQIEISA-N 0 0 199.225 1.536 10 0 ADAERN COc1ccccc1[C@H](CCO)NO 308387079 346296238 /nfs/dbraw/zinc/29/62/38/346296238.db2.gz MNEYZZYBIWCZHA-VIFPVBQESA-N 0 0 197.234 1.098 10 0 ADAERN COC[C@H](C)C(=O)NC[C@H]1C[C@@H]1C 308391226 346296445 /nfs/dbraw/zinc/29/64/45/346296445.db2.gz ZRRSTXOVXPRSFL-XHNCKOQMSA-N 0 0 185.267 1.041 10 0 ADAERN CN(C)C(=O)NCCOC(C)(C)C 308391133 346296461 /nfs/dbraw/zinc/29/64/61/346296461.db2.gz ZOCUIMYYUTVNLB-UHFFFAOYSA-N 0 0 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346297337 /nfs/dbraw/zinc/29/73/37/346297337.db2.gz ZDHDNOLPAHTTJH-JTQLQIEISA-N 0 0 197.234 1.098 10 0 ADAERN CCCc1noc([C@H](C)COC)n1 308396576 346297413 /nfs/dbraw/zinc/29/74/13/346297413.db2.gz DOPCSIIWPAQLDK-SSDOTTSWSA-N 0 0 184.239 1.772 10 0 ADAERN CCCc1noc([C@@H](C)COC)n1 308396580 346297461 /nfs/dbraw/zinc/29/74/61/346297461.db2.gz DOPCSIIWPAQLDK-ZETCQYMHSA-N 0 0 184.239 1.772 10 0 ADAERN CCCN(C)C(=O)[C@@H]1CCCCO1 308395902 346297543 /nfs/dbraw/zinc/29/75/43/346297543.db2.gz DDTALAXPTGXDAR-VIFPVBQESA-N 0 0 185.267 1.424 10 0 ADAERN CCOC(=O)[C@H](C)N1[C@H](C)C[C@H]1C 308397481 346297549 /nfs/dbraw/zinc/29/75/49/346297549.db2.gz FDLJHOPIQXAVLR-HLTSFMKQSA-N 0 0 185.267 1.421 10 0 ADAERN CCOC(=O)[C@@H](C)N1[C@@H](C)C[C@H]1C 308397482 346297557 /nfs/dbraw/zinc/29/75/57/346297557.db2.gz FDLJHOPIQXAVLR-HRDYMLBCSA-N 0 0 185.267 1.421 10 0 ADAERN C/C=C\C[N@@H+]1CCCC[C@]1(C)C(=O)[O-] 308393622 346297603 /nfs/dbraw/zinc/29/76/03/346297603.db2.gz SICRBZVQWNCEHI-DLRQAJBASA-N 0 0 197.278 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/nfs/dbraw/zinc/33/82/67/346338267.db2.gz JJYHSJZDNOAGMR-MRVPVSSYSA-N 0 0 155.241 1.797 10 0 ADAERN Cc1nnccc1NC(=O)CC(C)C 334294230 346338288 /nfs/dbraw/zinc/33/82/88/346338288.db2.gz SLGDLJPTTOMPER-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN CC(C)OCC(=O)N1C[C@H](C)[C@@H]1C 334287990 346338335 /nfs/dbraw/zinc/33/83/35/346338335.db2.gz DMKQJWZFLGQLSM-IUCAKERBSA-N 0 0 185.267 1.278 10 0 ADAERN C[C@H]1CN(Cc2cc[nH]n2)[C@@H]1C 334301996 346338654 /nfs/dbraw/zinc/33/86/54/346338654.db2.gz ZEDHLUVRWWJLGF-JGVFFNPUSA-N 0 0 165.240 1.250 10 0 ADAERN CCC(=O)CNC(=O)N1CC[C@@H](C)C1 334300547 346338720 /nfs/dbraw/zinc/33/87/20/346338720.db2.gz UVJFHDPBPHVJME-MRVPVSSYSA-N 0 0 198.266 1.017 10 0 ADAERN CC1CN(C(=O)CCc2ccoc2)C1 334300290 346338794 /nfs/dbraw/zinc/33/87/94/346338794.db2.gz UAPZAUGNTYJHOO-UHFFFAOYSA-N 0 0 193.246 1.691 10 0 ADAERN C[C@H]1NC(=O)N(CC2(C)CCC2)C1=O 334294613 346338849 /nfs/dbraw/zinc/33/88/49/346338849.db2.gz UIZVABLENVCBPX-SSDOTTSWSA-N 0 0 196.250 1.117 10 0 ADAERN C[C@H]1[C@H](C)CN1Cc1cc[nH]n1 334301997 346338878 /nfs/dbraw/zinc/33/88/78/346338878.db2.gz ZEDHLUVRWWJLGF-SFYZADRCSA-N 0 0 165.240 1.250 10 0 ADAERN CCC(=O)CNC(=O)N1CC[C@H](C)C1 334300548 346338902 /nfs/dbraw/zinc/33/89/02/346338902.db2.gz UVJFHDPBPHVJME-QMMMGPOBSA-N 0 0 198.266 1.017 10 0 ADAERN CC[C@@H]1CCN1C(=O)c1ccccn1 334295243 346339019 /nfs/dbraw/zinc/33/90/19/346339019.db2.gz VYHJFBJYWUQXHC-SECBINFHSA-N 0 0 190.246 1.706 10 0 ADAERN Cc1ncc(C(=O)NC[C@H]2C[C@@H]2C)[nH]1 334298797 346339046 /nfs/dbraw/zinc/33/90/46/346339046.db2.gz OSDFSRYRTSGIRM-POYBYMJQSA-N 0 0 193.250 1.104 10 0 ADAERN CC[C@H]1CCN1C(=O)c1ccncc1 334295695 346339066 /nfs/dbraw/zinc/33/90/66/346339066.db2.gz XFKYJAXLVMAAEK-JTQLQIEISA-N 0 0 190.246 1.706 10 0 ADAERN Cc1ncc(C(=O)NC[C@@H]2C[C@@H]2C)[nH]1 334298799 346339100 /nfs/dbraw/zinc/33/91/00/346339100.db2.gz OSDFSRYRTSGIRM-XPUUQOCRSA-N 0 0 193.250 1.104 10 0 ADAERN Cc1ncc(C(=O)NC[C@@H]2C[C@H]2C)[nH]1 334298798 346339227 /nfs/dbraw/zinc/33/92/27/346339227.db2.gz OSDFSRYRTSGIRM-SVRRBLITSA-N 0 0 193.250 1.104 10 0 ADAERN C[C@H]1CN(Cc2cc[nH]n2)[C@H]1C 334301998 346339258 /nfs/dbraw/zinc/33/92/58/346339258.db2.gz ZEDHLUVRWWJLGF-YUMQZZPRSA-N 0 0 165.240 1.250 10 0 ADAERN CC1CN(C(=O)[C@@H](C)C(C)(F)F)C1 334312109 346339807 /nfs/dbraw/zinc/33/98/07/346339807.db2.gz KQLVNBDXELKMEG-SSDOTTSWSA-N 0 0 191.221 1.756 10 0 ADAERN CN(C(=O)[C@@]1(C)CCCO1)C1CCC1 334307106 346339879 /nfs/dbraw/zinc/33/98/79/346339879.db2.gz HILIBDVESXEBOZ-LLVKDONJSA-N 0 0 197.278 1.566 10 0 ADAERN CN(C(=O)Cc1ccon1)C1CCC1 334311556 346340047 /nfs/dbraw/zinc/34/00/47/346340047.db2.gz LPBCRANRCDPZAQ-UHFFFAOYSA-N 0 0 194.234 1.228 10 0 ADAERN CNC(=O)C(C)(C)c1ccccc1F 334330348 346340595 /nfs/dbraw/zinc/34/05/95/346340595.db2.gz KGYALKWDAOTALO-UHFFFAOYSA-N 0 0 195.237 1.849 10 0 ADAERN CN(C(=O)C1=CCC1)c1cccnc1 334320239 346340857 /nfs/dbraw/zinc/34/08/57/346340857.db2.gz VLUQSHCZBIYWKA-UHFFFAOYSA-N 0 0 188.230 1.765 10 0 ADAERN CNC(=O)c1cnn2ccc(C)cc12 334327028 346340894 /nfs/dbraw/zinc/34/08/94/346340894.db2.gz BXZQTVJEDSGIMV-UHFFFAOYSA-N 0 0 189.218 1.002 10 0 ADAERN CC[C@H]1CCN1C(=O)c1cscn1 334334397 346341306 /nfs/dbraw/zinc/34/13/06/346341306.db2.gz XLESLKOISDWGKA-ZETCQYMHSA-N 0 0 196.275 1.768 10 0 ADAERN C[C@H]1[C@H](C)CN1C(=O)N(C)C 334345696 346341476 /nfs/dbraw/zinc/34/14/76/346341476.db2.gz PESDALINOQZLBS-RQJHMYQMSA-N 0 0 156.229 1.008 10 0 ADAERN CC(C)[C@@H]1C[N@@H+]([C@H]2CCOC2)CCO1 334339868 346341504 /nfs/dbraw/zinc/34/15/04/346341504.db2.gz GWTYSKQRFBLLAG-QWRGUYRKSA-N 0 0 199.294 1.132 10 0 ADAERN C[C@H]1C[C@@H](C)[N@@H+]1CCc1ccnn1C 334345869 346341529 /nfs/dbraw/zinc/34/15/29/346341529.db2.gz PKWYIJRQVBXYCT-AOOOYVTPSA-N 0 0 193.294 1.445 10 0 ADAERN CCC(=O)NCC1C[C@@H](C)O[C@H](C)C1 334335423 346341607 /nfs/dbraw/zinc/34/16/07/346341607.db2.gz FLSLIHMYJSKOIC-RKDXNWHRSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)[C@H]1C[N@@H+]([C@H]2CCOC2)CCO1 334339869 346341693 /nfs/dbraw/zinc/34/16/93/346341693.db2.gz GWTYSKQRFBLLAG-WDEREUQCSA-N 0 0 199.294 1.132 10 0 ADAERN CCC(=O)NCC1C[C@H](C)O[C@@H](C)C1 334335422 346341805 /nfs/dbraw/zinc/34/18/05/346341805.db2.gz FLSLIHMYJSKOIC-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN C[C@H]1CN(C(=O)N(C)C)[C@@H]1C 334345693 346341860 /nfs/dbraw/zinc/34/18/60/346341860.db2.gz PESDALINOQZLBS-NKWVEPMBSA-N 0 0 156.229 1.008 10 0 ADAERN CN(CC1CC1)C(=O)[C@H]1CCCOC1 334342299 346341902 /nfs/dbraw/zinc/34/19/02/346341902.db2.gz PSKJDLVHOVZECD-JTQLQIEISA-N 0 0 197.278 1.281 10 0 ADAERN CC[C@@H]1CCN1C(=O)c1cscn1 334334396 346341923 /nfs/dbraw/zinc/34/19/23/346341923.db2.gz XLESLKOISDWGKA-SSDOTTSWSA-N 0 0 196.275 1.768 10 0 ADAERN C[C@H]1CN(C(=O)N(C)C)[C@H]1C 334345687 346341979 /nfs/dbraw/zinc/34/19/79/346341979.db2.gz PESDALINOQZLBS-BQBZGAKWSA-N 0 0 156.229 1.008 10 0 ADAERN CCCN(C)C(=O)c1cnc(C)cn1 334350590 346342274 /nfs/dbraw/zinc/34/22/74/346342274.db2.gz FRFDYMMBTFXNNX-UHFFFAOYSA-N 0 0 193.250 1.267 10 0 ADAERN CC1(C)CC(C(=O)NC2(CO)CC2)C1 334355801 346342282 /nfs/dbraw/zinc/34/22/82/346342282.db2.gz LIJFMIVRZSKCGS-UHFFFAOYSA-N 0 0 197.278 1.064 10 0 ADAERN Cc1c[nH]nc1CN1CCC=C(F)C1 334349344 346342403 /nfs/dbraw/zinc/34/24/03/346342403.db2.gz UWANDGJIRQGAGA-UHFFFAOYSA-N 0 0 195.241 1.777 10 0 ADAERN Cc1ccnc(NC(=O)C2=CCC2)n1 334361129 346342462 /nfs/dbraw/zinc/34/24/62/346342462.db2.gz IOPCYQXERAKUSU-UHFFFAOYSA-N 0 0 189.218 1.444 10 0 ADAERN CNC(=O)c1cc(C)cc(OC)c1O 334351383 346342747 /nfs/dbraw/zinc/34/27/47/346342747.db2.gz GKCBKDGZFAPQBZ-UHFFFAOYSA-N 0 0 195.218 1.069 10 0 ADAERN CCCN(C)C(=O)[C@H]1CCO[C@H](C)C1 334362844 346342779 /nfs/dbraw/zinc/34/27/79/346342779.db2.gz DJLAHGPBJJRXSW-ZJUUUORDSA-N 0 0 199.294 1.670 10 0 ADAERN CCCN(C)C(=O)[C@H]1CCO[C@@H](C)C1 334362842 346343017 /nfs/dbraw/zinc/34/30/17/346343017.db2.gz DJLAHGPBJJRXSW-UWVGGRQHSA-N 0 0 199.294 1.670 10 0 ADAERN CCC(C)(C)NC(=O)c1ccnnc1 334351738 346343064 /nfs/dbraw/zinc/34/30/64/346343064.db2.gz GVMKZDGAMGKXMX-UHFFFAOYSA-N 0 0 193.250 1.395 10 0 ADAERN Cc1cc(C(=O)N[C@H]2CC[C@H]2C)no1 334373507 346343473 /nfs/dbraw/zinc/34/34/73/346343473.db2.gz CDCHZUDQUSCUSZ-SVRRBLITSA-N 0 0 194.234 1.511 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C)no1 334373502 346343512 /nfs/dbraw/zinc/34/35/12/346343512.db2.gz CDCHZUDQUSCUSZ-POYBYMJQSA-N 0 0 194.234 1.511 10 0 ADAERN CNC(=O)NC/C=C/c1ccccc1 334367194 346343654 /nfs/dbraw/zinc/34/36/54/346343654.db2.gz KBXPSTGWWICHDJ-VMPITWQZSA-N 0 0 190.246 1.629 10 0 ADAERN CC[C@H]1CC[C@H](NC(=O)CO)CC1 334373144 346343785 /nfs/dbraw/zinc/34/37/85/346343785.db2.gz ZLLSVZMKOYUDET-KYZUINATSA-N 0 0 185.267 1.064 10 0 ADAERN CNC(=O)c1ccn(C2CCCC2)n1 334374211 346343820 /nfs/dbraw/zinc/34/38/20/346343820.db2.gz CPZZUDXQVHNAMD-UHFFFAOYSA-N 0 0 193.250 1.358 10 0 ADAERN Cc1cc(C(=O)N[C@H]2CC[C@@H]2C)no1 334373513 346343827 /nfs/dbraw/zinc/34/38/27/346343827.db2.gz CDCHZUDQUSCUSZ-XPUUQOCRSA-N 0 0 194.234 1.511 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2CC[C@H]2C)no1 334373497 346343878 /nfs/dbraw/zinc/34/38/78/346343878.db2.gz CDCHZUDQUSCUSZ-HTRCEHHLSA-N 0 0 194.234 1.511 10 0 ADAERN CCc1nocc1CN1CCOCC1 334374936 346343927 /nfs/dbraw/zinc/34/39/27/346343927.db2.gz DFGTVHRXFDRDQT-UHFFFAOYSA-N 0 0 196.250 1.069 10 0 ADAERN CC[C@@H]1CCN1C(=O)C[C@H]1CCOC1 334381450 346344314 /nfs/dbraw/zinc/34/43/14/346344314.db2.gz FMGSVGJALCSPDA-NXEZZACHSA-N 0 0 197.278 1.424 10 0 ADAERN Cc1ncoc1C(=O)N1C[C@@H](C)[C@@H]1C 334382134 346344344 /nfs/dbraw/zinc/34/43/44/346344344.db2.gz GBJZOUYBPDHWRJ-SVRRBLITSA-N 0 0 194.234 1.463 10 0 ADAERN C[C@H]1CN(C(=O)CCC(C)(C)O)[C@@H]1C 334382516 346344396 /nfs/dbraw/zinc/34/43/96/346344396.db2.gz GMRHYARLKWBYJB-DTWKUNHWSA-N 0 0 199.294 1.404 10 0 ADAERN CCc1noc(-c2cnn(CC)c2)n1 334388159 346344498 /nfs/dbraw/zinc/34/44/98/346344498.db2.gz QFMVZXXNXMAUJQ-UHFFFAOYSA-N 0 0 192.222 1.515 10 0 ADAERN Cc1ncoc1C(=O)N1C[C@H](C)[C@H]1C 334382025 346344504 /nfs/dbraw/zinc/34/45/04/346344504.db2.gz GBJZOUYBPDHWRJ-POYBYMJQSA-N 0 0 194.234 1.463 10 0 ADAERN C[C@H]1CN(C(=O)CCC(C)(C)O)[C@H]1C 334382517 346344623 /nfs/dbraw/zinc/34/46/23/346344623.db2.gz GMRHYARLKWBYJB-IUCAKERBSA-N 0 0 199.294 1.404 10 0 ADAERN Cc1ncoc1C(=O)N1C[C@@H](C)[C@H]1C 334382022 346344642 /nfs/dbraw/zinc/34/46/42/346344642.db2.gz GBJZOUYBPDHWRJ-HTRCEHHLSA-N 0 0 194.234 1.463 10 0 ADAERN CN(C(=O)CC1(C)CC1)[C@H]1CCOC1 334391134 346344703 /nfs/dbraw/zinc/34/47/03/346344703.db2.gz UQNDRUSJLKWHDC-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN C[C@H]1[C@H](C)CN1C(=O)CCC(C)(C)O 334382514 346344841 /nfs/dbraw/zinc/34/48/41/346344841.db2.gz GMRHYARLKWBYJB-BDAKNGLRSA-N 0 0 199.294 1.404 10 0 ADAERN Cc1ncoc1C(=O)N1C[C@H](C)[C@@H]1C 334382137 346344857 /nfs/dbraw/zinc/34/48/57/346344857.db2.gz GBJZOUYBPDHWRJ-XPUUQOCRSA-N 0 0 194.234 1.463 10 0 ADAERN Cc1cc(CO)oc1C(=O)NC(C)C 334405865 346345296 /nfs/dbraw/zinc/34/52/96/346345296.db2.gz QHORSEXSVVDBMT-UHFFFAOYSA-N 0 0 197.234 1.219 10 0 ADAERN CNC(=O)Nc1cc(C2CC2)ccn1 334399640 346345451 /nfs/dbraw/zinc/34/54/51/346345451.db2.gz DLMLPOYIFBQXGT-UHFFFAOYSA-N 0 0 191.234 1.710 10 0 ADAERN CN(Cc1cc[nH]n1)[C@H]1C=CCCC1 334403229 346345532 /nfs/dbraw/zinc/34/55/32/346345532.db2.gz IDJIOMYIZICIDS-NSHDSACASA-N 0 0 191.278 1.950 10 0 ADAERN C[C@H]1[C@@H](C)OCCN1Cc1cc[nH]n1 334394143 346345548 /nfs/dbraw/zinc/34/55/48/346345548.db2.gz BIAHXPQTSKLMGO-DTWKUNHWSA-N 0 0 195.266 1.019 10 0 ADAERN CN(Cc1cc[nH]n1)[C@@H]1C=CCCC1 334403228 346345561 /nfs/dbraw/zinc/34/55/61/346345561.db2.gz IDJIOMYIZICIDS-LLVKDONJSA-N 0 0 191.278 1.950 10 0 ADAERN C[C@H](C(=O)NC1CC1)C1CCOCC1 334396344 346345754 /nfs/dbraw/zinc/34/57/54/346345754.db2.gz KLGZIQXSIGNGAJ-QMMMGPOBSA-N 0 0 197.278 1.328 10 0 ADAERN CC[C@H]1CCN1C(=O)[C@@H]1CCSC1 334417652 346346056 /nfs/dbraw/zinc/34/60/56/346346056.db2.gz OYTCPWLHFSPVLR-BDAKNGLRSA-N 0 0 199.319 1.750 10 0 ADAERN CC[C@H]1CCN1C(=O)[C@H]1CCSC1 334417656 346346079 /nfs/dbraw/zinc/34/60/79/346346079.db2.gz OYTCPWLHFSPVLR-IUCAKERBSA-N 0 0 199.319 1.750 10 0 ADAERN CC[C@@H]1CCN1C(=O)c1cc(C)no1 334411762 346346131 /nfs/dbraw/zinc/34/61/31/346346131.db2.gz KPTJMYIWQDLWBP-MRVPVSSYSA-N 0 0 194.234 1.608 10 0 ADAERN CC[C@@H]1CCN1C(=O)[C@@H]1CCSC1 334417659 346346586 /nfs/dbraw/zinc/34/65/86/346346586.db2.gz OYTCPWLHFSPVLR-RKDXNWHRSA-N 0 0 199.319 1.750 10 0 ADAERN CC[C@@H]1CCN1C(=O)[C@H]1CCSC1 334417655 346346600 /nfs/dbraw/zinc/34/66/00/346346600.db2.gz OYTCPWLHFSPVLR-DTWKUNHWSA-N 0 0 199.319 1.750 10 0 ADAERN CC(C)c1nnc(N(C)C2CC2)n1C 334413859 346346607 /nfs/dbraw/zinc/34/66/07/346346607.db2.gz MSAVBIFNPQXBFB-UHFFFAOYSA-N 0 0 194.282 1.537 10 0 ADAERN CC1=C(C(=O)NC2(CO)CC2)CCC1 334426355 346346955 /nfs/dbraw/zinc/34/69/55/346346955.db2.gz YQZVCZVBLRIMNN-UHFFFAOYSA-N 0 0 195.262 1.128 10 0 ADAERN CC[C@H]1NC(=O)N([C@H]2CC2(C)C)C1=O 334425806 346346959 /nfs/dbraw/zinc/34/69/59/346346959.db2.gz XUQRNLHIFNDVKG-RQJHMYQMSA-N 0 0 196.250 1.115 10 0 ADAERN Cc1ncn(CCC(C)C)c(=O)c1C 334425574 346347000 /nfs/dbraw/zinc/34/70/00/346347000.db2.gz UUPIUDJTRNMGFC-UHFFFAOYSA-N 0 0 194.278 1.906 10 0 ADAERN CN1CN(CCC2CCCC2)CC1=O 334425968 346347005 /nfs/dbraw/zinc/34/70/05/346347005.db2.gz YCUGKIAKWRJMMQ-UHFFFAOYSA-N 0 0 196.294 1.298 10 0 ADAERN CC[C@H]1NC(=O)N(CC(C)(C)C)C1=O 334442468 346347436 /nfs/dbraw/zinc/34/74/36/346347436.db2.gz AKRAAYQKHKSEEX-SSDOTTSWSA-N 0 0 198.266 1.363 10 0 ADAERN CCCN(C)C(=O)c1cnn(C)c1C 334442739 346347623 /nfs/dbraw/zinc/34/76/23/346347623.db2.gz CPKNHITWLRBCAG-UHFFFAOYSA-N 0 0 195.266 1.211 10 0 ADAERN Cc1cc(C(=O)NC(C)C)[nH]c(=O)c1 334440862 346347629 /nfs/dbraw/zinc/34/76/29/346347629.db2.gz YHRXBARKFAFOAC-UHFFFAOYSA-N 0 0 194.234 1.234 10 0 ADAERN CCC1(CNC(=O)N2CCCO2)CC1 334446643 346347632 /nfs/dbraw/zinc/34/76/32/346347632.db2.gz HIUVNLSXGAXNRG-UHFFFAOYSA-N 0 0 198.266 1.524 10 0 ADAERN CCc1nocc1CN1CC(F)C1 334438232 346347822 /nfs/dbraw/zinc/34/78/22/346347822.db2.gz SOCKQJVSAWEXJJ-UHFFFAOYSA-N 0 0 184.214 1.391 10 0 ADAERN CC1(CNC(=O)N2CCCO2)CCC1 334444962 346347917 /nfs/dbraw/zinc/34/79/17/346347917.db2.gz FQALHOVBKQBPPW-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/36/83/85/346368385.db2.gz RFTHZFDYZDZZLK-CBAPKCEASA-N 0 0 197.303 1.717 10 0 ADAERN CC1(c2noc([C@H]3CCCO3)n2)CC1 334890657 346368732 /nfs/dbraw/zinc/36/87/32/346368732.db2.gz WMFNQMXAPLEGDM-SSDOTTSWSA-N 0 0 194.234 1.973 10 0 ADAERN CC1(C)[C@H]2CN(C(=O)C3=CCC3)C[C@H]21 334891156 346368740 /nfs/dbraw/zinc/36/87/40/346368740.db2.gz VLANAQFFBVIKED-AOOOYVTPSA-N 0 0 191.274 1.821 10 0 ADAERN CC(C)[C@@H]1CCN1Cc1nccn1C 334886065 346368760 /nfs/dbraw/zinc/36/87/60/346368760.db2.gz XWNIERJWOJFRTP-JTQLQIEISA-N 0 0 193.294 1.650 10 0 ADAERN CC(C)[C@H]1CCN1Cc1nccn1C 334886069 346368973 /nfs/dbraw/zinc/36/89/73/346368973.db2.gz XWNIERJWOJFRTP-SNVBAGLBSA-N 0 0 193.294 1.650 10 0 ADAERN CC[C@@H]1CCN1C(=O)c1cc[nH]n1 334903210 346369016 /nfs/dbraw/zinc/36/90/16/346369016.db2.gz YDDZIINSXDXENE-SSDOTTSWSA-N 0 0 179.223 1.034 10 0 ADAERN Cc1ncoc1C(=O)N[C@@H]1CC1(C)C 334884942 346369133 /nfs/dbraw/zinc/36/91/33/346369133.db2.gz QSHCESKZKXOUGY-SSDOTTSWSA-N 0 0 194.234 1.511 10 0 ADAERN 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346370543 /nfs/dbraw/zinc/37/05/43/346370543.db2.gz LFDWUPSGVZMUOJ-XPUUQOCRSA-N 0 0 193.250 1.246 10 0 ADAERN Cc1cc(C(=O)N[C@H]2CC[C@H]2C)[nH]n1 334944805 346370620 /nfs/dbraw/zinc/37/06/20/346370620.db2.gz LFDWUPSGVZMUOJ-SVRRBLITSA-N 0 0 193.250 1.246 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C)[nH]n1 334944804 346370670 /nfs/dbraw/zinc/37/06/70/346370670.db2.gz LFDWUPSGVZMUOJ-POYBYMJQSA-N 0 0 193.250 1.246 10 0 ADAERN C[C@]1(O)C[C@@H](Nc2ccccn2)C1 334954487 346371026 /nfs/dbraw/zinc/37/10/26/346371026.db2.gz HOKBHDDNFLXWTD-WAAGHKOSSA-N 0 0 178.235 1.407 10 0 ADAERN CC[C@H](C)NC(=O)N1CC[C@H](F)C1 334952905 346371064 /nfs/dbraw/zinc/37/10/64/346371064.db2.gz XQDVWMLQQTXKKF-YUMQZZPRSA-N 0 0 188.246 1.538 10 0 ADAERN C[C@]1(O)C[C@@H](Nc2ccc(F)cn2)C1 334955799 346371104 /nfs/dbraw/zinc/37/11/04/346371104.db2.gz PBBDVCORYVXUJW-WAAGHKOSSA-N 0 0 196.225 1.546 10 0 ADAERN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)on1 334960671 346371158 /nfs/dbraw/zinc/37/11/58/346371158.db2.gz 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346371927 /nfs/dbraw/zinc/37/19/27/346371927.db2.gz YOQQZKCWBWYIFM-BDAKNGLRSA-N 0 0 192.262 1.506 10 0 ADAERN C[C@H]1CN(C(=O)c2cccn2C)[C@H]1C 334966264 346372073 /nfs/dbraw/zinc/37/20/73/346372073.db2.gz YOQQZKCWBWYIFM-IUCAKERBSA-N 0 0 192.262 1.506 10 0 ADAERN CC(C)N1CC(=O)N(CC2CC2)C1=O 334960777 346372175 /nfs/dbraw/zinc/37/21/75/346372175.db2.gz GBHHKIVJAUOKIT-UHFFFAOYSA-N 0 0 196.250 1.069 10 0 ADAERN Cc1cc(OC[C@H]2CCOC2)nn1C 334960984 346372189 /nfs/dbraw/zinc/37/21/89/346372189.db2.gz OPXNCRVILHBOQC-VIFPVBQESA-N 0 0 196.250 1.144 10 0 ADAERN C[C@]1(c2nc(C3CC3)no2)CCCO1 334982297 346372744 /nfs/dbraw/zinc/37/27/44/346372744.db2.gz KROCFJURAYMZMX-SNVBAGLBSA-N 0 0 194.234 1.973 10 0 ADAERN Cc1ccc(NC(=O)CC(N)=O)nc1 334981694 346372770 /nfs/dbraw/zinc/37/27/70/346372770.db2.gz QHTHDMHFLBYSNU-UHFFFAOYSA-N 0 0 193.206 1.254 10 0 ADAERN Cc1c(Cl)c(CNC2CC2)nn1C 334984922 346372957 /nfs/dbraw/zinc/37/29/57/346372957.db2.gz KWAALJQYALNEJJ-UHFFFAOYSA-N 0 0 199.685 1.634 10 0 ADAERN 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/nfs/dbraw/zinc/58/80/80/346588080.db2.gz ZIZSPTHUICZSKB-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)Cc1cc(C)cc(N)n1 396137021 346588091 /nfs/dbraw/zinc/58/80/91/346588091.db2.gz AYLFGVWDXOCZAH-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)c1cnc(F)c(OC)c1 396102831 346588106 /nfs/dbraw/zinc/58/81/06/346588106.db2.gz JOPCXZGRRQLVBJ-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)Cc1cc(C)ncc1N 396137278 346588127 /nfs/dbraw/zinc/58/81/27/346588127.db2.gz BSRONPYWXKZWRV-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN COC(=O)Cc1ccc(C=O)cc1F 396097433 346588163 /nfs/dbraw/zinc/58/81/63/346588163.db2.gz NQZGMFBMPVWIST-UHFFFAOYSA-N 0 0 196.177 1.354 10 0 ADAERN CCOC(=O)c1cc(OC)cnc1F 396104079 346588171 /nfs/dbraw/zinc/58/81/71/346588171.db2.gz LIIGYXKFGVSHQK-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)c1c(C)cncc1OC 396101667 346588183 /nfs/dbraw/zinc/58/81/83/346588183.db2.gz GZNNJIOMUSKICY-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCOC(=O)c1ccnc(F)c1OC 396107842 346588196 /nfs/dbraw/zinc/58/81/96/346588196.db2.gz UTNLCBXHQRMMCD-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN COC(=O)Cc1ccc(C=O)c(F)c1 396093582 346588201 /nfs/dbraw/zinc/58/82/01/346588201.db2.gz IOTXXGYDNSFOCR-UHFFFAOYSA-N 0 0 196.177 1.354 10 0 ADAERN CCOC(=O)c1c(F)cccc1C=O 396086160 346588235 /nfs/dbraw/zinc/58/82/35/346588235.db2.gz ACUXUUCNAOEHOW-UHFFFAOYSA-N 0 0 196.177 1.815 10 0 ADAERN CCOC(=O)c1cc(C)cc(OC)n1 396104649 346588241 /nfs/dbraw/zinc/58/82/41/346588241.db2.gz MDHYHUQBGVYJNZ-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCOC(=O)Cc1c(C)cncc1N 396140881 346588245 /nfs/dbraw/zinc/58/82/45/346588245.db2.gz KLEVCRNCCUBURR-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN COC(=O)Cc1c(F)cccc1C=O 396096394 346588299 /nfs/dbraw/zinc/58/82/99/346588299.db2.gz MGHZJKDJIJRAMF-UHFFFAOYSA-N 0 0 196.177 1.354 10 0 ADAERN CCOC(=O)Cc1cnc(C)c(N)c1 396140884 346588308 /nfs/dbraw/zinc/58/83/08/346588308.db2.gz KMMREEPJWFNZKE-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)Cc1cc(C)cnc1N 396139572 346588325 /nfs/dbraw/zinc/58/83/25/346588325.db2.gz JPPJIQXBEATICA-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN COC(=O)Cc1cccc(C=O)c1F 396088226 346588334 /nfs/dbraw/zinc/58/83/34/346588334.db2.gz COHBWBKZDXZSAT-UHFFFAOYSA-N 0 0 196.177 1.354 10 0 ADAERN CCOC(=O)c1cc(C=O)ccc1F 396117981 346588338 /nfs/dbraw/zinc/58/83/38/346588338.db2.gz ZAQFRJCAWBDFNL-UHFFFAOYSA-N 0 0 196.177 1.815 10 0 ADAERN CCOC(=O)Cc1cc(N)cnc1C 396143153 346588344 /nfs/dbraw/zinc/58/83/44/346588344.db2.gz UKCVBEBKOYRWFJ-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)c1cc(F)ncc1OC 396101716 346588352 /nfs/dbraw/zinc/58/83/52/346588352.db2.gz HJVPABMDMRSSNM-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)Cc1nc(C)ccc1N 396144504 346588368 /nfs/dbraw/zinc/58/83/68/346588368.db2.gz ZZLCCEMLBPZTRT-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)Cc1nccc(C)c1N 396144417 346588376 /nfs/dbraw/zinc/58/83/76/346588376.db2.gz ZAHXFMMGTVRJPF-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)c1c(OC)ccnc1F 396108322 346588398 /nfs/dbraw/zinc/58/83/98/346588398.db2.gz VHVSCFBGDYXBAT-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)Cc1ccnc(C)c1N 396137274 346588420 /nfs/dbraw/zinc/58/84/20/346588420.db2.gz BRJXWPOQXVZBMH-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)c1cc(OC)cc(F)n1 396107804 346588438 /nfs/dbraw/zinc/58/84/38/346588438.db2.gz UNHVAYARKNMYDU-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)c1cc(F)cc(C=O)c1 396112008 346588451 /nfs/dbraw/zinc/58/84/51/346588451.db2.gz RQIOVRCTXNMKBS-UHFFFAOYSA-N 0 0 196.177 1.815 10 0 ADAERN CCOC(=O)c1nc(F)ccc1OC 396104065 346588473 /nfs/dbraw/zinc/58/84/73/346588473.db2.gz LGBSVRDQGPJLJT-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)c1cccc(F)c1C=O 396093569 346588480 /nfs/dbraw/zinc/58/84/80/346588480.db2.gz COJGWGVCEZXBTN-UHFFFAOYSA-N 0 0 196.177 1.815 10 0 ADAERN CCOC(=O)Cc1ccc(C)nc1N 396143780 346588483 /nfs/dbraw/zinc/58/84/83/346588483.db2.gz WYOURAOWBKOCNI-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)Cc1cc(C)c(N)cn1 396143580 346588497 /nfs/dbraw/zinc/58/84/97/346588497.db2.gz WPGWSEWOVSHYOG-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)Cc1cncc(N)c1C 396141258 346588530 /nfs/dbraw/zinc/58/85/30/346588530.db2.gz LLJCNMDWUCKDCY-UHFFFAOYSA-N 0 0 194.234 1.078 10 0 ADAERN CCOC(=O)c1ccc(OC)nc1F 396100316 346588548 /nfs/dbraw/zinc/58/85/48/346588548.db2.gz DSKIGIWCXUXFAQ-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN C/C(=C/Cl)CN1CCC(=O)C1 396487251 346589810 /nfs/dbraw/zinc/58/98/10/346589810.db2.gz AFUUQRDYCLEOGX-DAXSKMNVSA-N 0 0 173.643 1.404 10 0 ADAERN C/C=C\COc1ccc(C#N)nn1 396983427 346590814 /nfs/dbraw/zinc/59/08/14/346590814.db2.gz XJBQZTGALSSWMT-IHWYPQMZSA-N 0 0 175.191 1.303 10 0 ADAERN CC[C@@H](Cn1cc(C#N)cn1)OC 397027324 346590824 /nfs/dbraw/zinc/59/08/24/346590824.db2.gz OINTUYGBFYZTKA-VIFPVBQESA-N 0 0 179.223 1.180 10 0 ADAERN CC[C@H](Cn1cc(C#N)cn1)OC 397027321 346590943 /nfs/dbraw/zinc/59/09/43/346590943.db2.gz OINTUYGBFYZTKA-SECBINFHSA-N 0 0 179.223 1.180 10 0 ADAERN CC[C@H](Cn1ccnc1C#N)OC 396994494 346590982 /nfs/dbraw/zinc/59/09/82/346590982.db2.gz COUFIVQWRNVTGE-MRVPVSSYSA-N 0 0 179.223 1.180 10 0 ADAERN CC[C@@H](Cn1ccnc1C#N)OC 396994495 346591049 /nfs/dbraw/zinc/59/10/49/346591049.db2.gz COUFIVQWRNVTGE-QMMMGPOBSA-N 0 0 179.223 1.180 10 0 ADAERN C=C(C)C(O)=CC(C)=O 396901089 346591078 /nfs/dbraw/zinc/59/10/78/346591078.db2.gz SZCHETBKTHKZHE-GQCTYLIASA-N 0 0 126.155 1.593 10 0 ADAERN O=C(CCCCO)N[C@H]1C[C@@H]2C[C@@H]2C1 397763785 346592826 /nfs/dbraw/zinc/59/28/26/346592826.db2.gz LSKMDWXQFQPHTE-ILWJIGKKSA-N 0 0 197.278 1.064 10 0 ADAERN Cc1ncc(CNCC(F)(F)F)o1 397900791 346593651 /nfs/dbraw/zinc/59/36/51/346593651.db2.gz KHXXPVOZIWMJDJ-UHFFFAOYSA-N 0 0 194.156 1.635 10 0 ADAERN Cc1ncc(CNCc2ccoc2)o1 397936969 346593913 /nfs/dbraw/zinc/59/39/13/346593913.db2.gz XEUPSIRBKAELJK-UHFFFAOYSA-N 0 0 192.218 1.866 10 0 ADAERN Cc1nocc1CN[C@@H](C)C(F)F 398022507 346594427 /nfs/dbraw/zinc/59/44/27/346594427.db2.gz WHMNEXQTPJZETB-LURJTMIESA-N 0 0 190.193 1.726 10 0 ADAERN Cc1ncc(CNCC(F)F)o1 398031041 346594566 /nfs/dbraw/zinc/59/45/66/346594566.db2.gz PQZQHLMAEYGLJD-UHFFFAOYSA-N 0 0 176.166 1.338 10 0 ADAERN Cc1ncc(CN[C@H](C)C(F)F)o1 397943256 346594595 /nfs/dbraw/zinc/59/45/95/346594595.db2.gz ZVDSLQBNECGQKR-RXMQYKEDSA-N 0 0 190.193 1.726 10 0 ADAERN Cc1ncc(CN[C@@H](C)C(F)F)o1 397943257 346594683 /nfs/dbraw/zinc/59/46/83/346594683.db2.gz ZVDSLQBNECGQKR-YFKPBYRVSA-N 0 0 190.193 1.726 10 0 ADAERN Cc1ncc(CNCc2ccco2)o1 397941823 346594727 /nfs/dbraw/zinc/59/47/27/346594727.db2.gz YYFFKBLIGVXUBG-UHFFFAOYSA-N 0 0 192.218 1.866 10 0 ADAERN Cc1nocc1CN[C@H](C)C(F)F 398022509 346594765 /nfs/dbraw/zinc/59/47/65/346594765.db2.gz WHMNEXQTPJZETB-ZCFIWIBFSA-N 0 0 190.193 1.726 10 0 ADAERN CC[C@H]1CN(CC(C)=O)C[C@H](CC)O1 398363828 346595236 /nfs/dbraw/zinc/59/52/36/346595236.db2.gz FPQJLYKTLYGLRD-QWRGUYRKSA-N 0 0 199.294 1.465 10 0 ADAERN c1cc(CNCc2cn[nH]n2)cs1 398371325 346595341 /nfs/dbraw/zinc/59/53/41/346595341.db2.gz RBDXLWUOJXUSNK-UHFFFAOYSA-N 0 0 194.263 1.156 10 0 ADAERN CC[C@@H]1CN(CC(C)=O)C[C@@H](CC)O1 398363825 346595387 /nfs/dbraw/zinc/59/53/87/346595387.db2.gz FPQJLYKTLYGLRD-GHMZBOCLSA-N 0 0 199.294 1.465 10 0 ADAERN CC[C@H]([NH2+]Cc1cnn[n-]1)C1CC1 398338563 346595430 /nfs/dbraw/zinc/59/54/30/346595430.db2.gz FFIBCSIUTGXNQY-VIFPVBQESA-N 0 0 180.255 1.083 10 0 ADAERN CC[C@@H]([NH2+]Cc1cnn[n-]1)C(C)C 398333550 346595527 /nfs/dbraw/zinc/59/55/27/346595527.db2.gz BTXLNBFJVUGTKG-SECBINFHSA-N 0 0 182.271 1.329 10 0 ADAERN CC[C@H]([NH2+]Cc1cnn[n-]1)C(C)C 398333551 346595674 /nfs/dbraw/zinc/59/56/74/346595674.db2.gz BTXLNBFJVUGTKG-VIFPVBQESA-N 0 0 182.271 1.329 10 0 ADAERN CC[C@@H]([NH2+]Cc1cnn[n-]1)C1CC1 398338562 346595830 /nfs/dbraw/zinc/59/58/30/346595830.db2.gz FFIBCSIUTGXNQY-SECBINFHSA-N 0 0 180.255 1.083 10 0 ADAERN CCC(CC)[NH2+]Cc1cnn[n-]1 398340708 346595859 /nfs/dbraw/zinc/59/58/59/346595859.db2.gz GNGXLMFKOQFRDP-UHFFFAOYSA-N 0 0 168.244 1.083 10 0 ADAERN CCCC[C@H](CC)[NH2+]Cc1cnn[n-]1 398398948 346596361 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0 ADAERN Cc1nc(C2CCSCC2)n[nH]1 402292921 346629129 /nfs/dbraw/zinc/62/91/29/346629129.db2.gz IDLBAKPCUVCUQC-UHFFFAOYSA-N 0 0 183.280 1.724 10 0 ADAERN C[C@H](C[C@H]1CC=CCC1)NN 402290900 346629156 /nfs/dbraw/zinc/62/91/56/346629156.db2.gz WSMAOOZERJXFQK-BDAKNGLRSA-N 0 0 154.257 1.585 10 0 ADAERN Nc1ncccc1C1=NC(=O)CS1 402284547 346629173 /nfs/dbraw/zinc/62/91/73/346629173.db2.gz QEXBNMUVAXVIGN-UHFFFAOYSA-N 0 0 193.231 1.493 10 0 ADAERN O=C1N=NC(C2CCSCC2)O1 402320479 346629213 /nfs/dbraw/zinc/62/92/13/346629213.db2.gz MDPDCJRPYLIOGY-UHFFFAOYSA-N 0 0 186.236 1.386 10 0 ADAERN C[C@H](C[C@@H]1CC=CCC1)NN 402290910 346629242 /nfs/dbraw/zinc/62/92/42/346629242.db2.gz WSMAOOZERJXFQK-RKDXNWHRSA-N 0 0 154.257 1.585 10 0 ADAERN C[C@@H](C[C@H]1CC=CCC1)NN 402290907 346629264 /nfs/dbraw/zinc/62/92/64/346629264.db2.gz WSMAOOZERJXFQK-IUCAKERBSA-N 0 0 154.257 1.585 10 0 ADAERN CC(C)C(=O)N[C@H]1CC[C@H](C)OC1 402354442 346629376 /nfs/dbraw/zinc/62/93/76/346629376.db2.gz AWRNZDLLYQXRNH-IUCAKERBSA-N 0 0 185.267 1.326 10 0 ADAERN OCc1c[nH]c(C2CCSCC2)n1 402396086 346629571 /nfs/dbraw/zinc/62/95/71/346629571.db2.gz YEAWBYQEDKOVBO-UHFFFAOYSA-N 0 0 198.291 1.513 10 0 ADAERN CCC(=O)N[C@H]1CC[C@@H](C)OC1 402364021 346629586 /nfs/dbraw/zinc/62/95/86/346629586.db2.gz DWXJWXZXAPRIIU-SFYZADRCSA-N 0 0 171.240 1.080 10 0 ADAERN C[C@H]1CC[C@@H](NC(=O)C2CC2)CO1 402384413 346629685 /nfs/dbraw/zinc/62/96/85/346629685.db2.gz OZLRHKMVLIHYIO-IONNQARKSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1C[C@H](n2cccc2C=O)CO1 402370827 346629622 /nfs/dbraw/zinc/62/96/22/346629622.db2.gz GYDQHEGDRJTDBD-SCZZXKLOSA-N 0 0 179.219 1.651 10 0 ADAERN C[C@H]1C[C@H](n2cccc2C=O)CO1 402370829 346629649 /nfs/dbraw/zinc/62/96/49/346629649.db2.gz GYDQHEGDRJTDBD-WPRPVWTQSA-N 0 0 179.219 1.651 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@@H](C)OC1 402364017 346629660 /nfs/dbraw/zinc/62/96/60/346629660.db2.gz DWXJWXZXAPRIIU-HTQZYQBOSA-N 0 0 171.240 1.080 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)C2CC2)CO1 402384412 346629810 /nfs/dbraw/zinc/62/98/10/346629810.db2.gz OZLRHKMVLIHYIO-CBAPKCEASA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CC[C@H](NC(=O)C2CC2)CO1 402384411 346629888 /nfs/dbraw/zinc/62/98/88/346629888.db2.gz OZLRHKMVLIHYIO-APPZFPTMSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CC[C@@H](NC(=O)C2CC2)CO1 402384416 346629907 /nfs/dbraw/zinc/62/99/07/346629907.db2.gz OZLRHKMVLIHYIO-VXNVDRBHSA-N 0 0 183.251 1.080 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@H](C)OC1 402364018 346629978 /nfs/dbraw/zinc/62/99/78/346629978.db2.gz DWXJWXZXAPRIIU-JGVFFNPUSA-N 0 0 171.240 1.080 10 0 ADAERN CCC(=O)N[C@H]1CC[C@H](C)OC1 402364023 346629986 /nfs/dbraw/zinc/62/99/86/346629986.db2.gz DWXJWXZXAPRIIU-YUMQZZPRSA-N 0 0 171.240 1.080 10 0 ADAERN C[C@H]1C[C@@H](n2cccc2C=O)CO1 402370828 346630024 /nfs/dbraw/zinc/63/00/24/346630024.db2.gz GYDQHEGDRJTDBD-WCBMZHEXSA-N 0 0 179.219 1.651 10 0 ADAERN C[C@@H]1C[C@@H](n2cccc2C=O)CO1 402370825 346630049 /nfs/dbraw/zinc/63/00/49/346630049.db2.gz GYDQHEGDRJTDBD-PSASIEDQSA-N 0 0 179.219 1.651 10 0 ADAERN Cc1nocc1-c1nc(=S)n(C)[nH]1 402520195 346630288 /nfs/dbraw/zinc/63/02/88/346630288.db2.gz ZLUKICGYOVVSCC-UHFFFAOYSA-N 0 0 196.235 1.441 10 0 ADAERN Cc1nocc1-c1n[n-]c(=S)o1 402494900 346630293 /nfs/dbraw/zinc/63/02/93/346630293.db2.gz DDSWKHWTXOVBER-UHFFFAOYSA-N 0 0 183.192 1.322 10 0 ADAERN Cc1nocc1C1N=NC(=S)N1C 402501607 346630411 /nfs/dbraw/zinc/63/04/11/346630411.db2.gz KPCVCUPWTLOURW-UHFFFAOYSA-N 0 0 196.235 1.067 10 0 ADAERN CCc1nnc(-c2conc2C)[nH]1 402652855 346630904 /nfs/dbraw/zinc/63/09/04/346630904.db2.gz MTYTYIYPBJQXLI-UHFFFAOYSA-N 0 0 178.195 1.331 10 0 ADAERN Fc1nccnc1OC1CCCC1 402686233 346630915 /nfs/dbraw/zinc/63/09/15/346630915.db2.gz ZJWGEXZKRWXADH-UHFFFAOYSA-N 0 0 182.198 1.937 10 0 ADAERN Fc1nccnc1OC1CCC1 402678863 346630920 /nfs/dbraw/zinc/63/09/20/346630920.db2.gz WJUHHFBJZUUPGG-UHFFFAOYSA-N 0 0 168.171 1.547 10 0 ADAERN CCOc1nccnc1F 402650627 346630938 /nfs/dbraw/zinc/63/09/38/346630938.db2.gz JFVZIMCMUCESRV-UHFFFAOYSA-N 0 0 142.133 1.014 10 0 ADAERN Cc1nnc(-c2conc2C)[nH]1 402676069 346631007 /nfs/dbraw/zinc/63/10/07/346631007.db2.gz WHZNZQYXQFWGLE-UHFFFAOYSA-N 0 0 164.168 1.077 10 0 ADAERN CC(C)(C)Oc1nccnc1F 402650662 346631066 /nfs/dbraw/zinc/63/10/66/346631066.db2.gz JHIJDBPATZUNSK-UHFFFAOYSA-N 0 0 170.187 1.793 10 0 ADAERN C/C=C/CNc1nccnc1F 402696253 346631430 /nfs/dbraw/zinc/63/14/30/346631430.db2.gz NDNBUZDESFRJEH-NSCUHMNNSA-N 0 0 167.187 1.604 10 0 ADAERN Fc1nccnc1N1C[C@H]2C[C@H]2C1 402718419 346631451 /nfs/dbraw/zinc/63/14/51/346631451.db2.gz FRKYUGUKANBLIH-KNVOCYPGSA-N 0 0 179.198 1.072 10 0 ADAERN Cc1cnn(-c2nccnc2F)c1 402739344 346631457 /nfs/dbraw/zinc/63/14/57/346631457.db2.gz VTBDNZOTLPDQIU-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN CSc1nccnc1F 402733913 346631472 /nfs/dbraw/zinc/63/14/72/346631472.db2.gz DRWOMZAOONMOPC-UHFFFAOYSA-N 0 0 144.174 1.338 10 0 ADAERN Fc1nccnc1SC1COC1 402742857 346631484 /nfs/dbraw/zinc/63/14/84/346631484.db2.gz JEIGNOYRMHTBMC-UHFFFAOYSA-N 0 0 186.211 1.107 10 0 ADAERN CCCNc1nccnc1F 402741254 346631506 /nfs/dbraw/zinc/63/15/06/346631506.db2.gz SCRVBFISVOYCCC-UHFFFAOYSA-N 0 0 155.176 1.438 10 0 ADAERN CCSc1nccnc1F 402737232 346631520 /nfs/dbraw/zinc/63/15/20/346631520.db2.gz GMDJZKDDPCJRRK-UHFFFAOYSA-N 0 0 158.201 1.728 10 0 ADAERN Cc1ccn(-c2nccnc2F)n1 402733176 346631522 /nfs/dbraw/zinc/63/15/22/346631522.db2.gz SDNPQVVKCCOHTR-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN CCN(C)c1nccnc1F 402702429 346631581 /nfs/dbraw/zinc/63/15/81/346631581.db2.gz KBBGPHFMUJGUDD-UHFFFAOYSA-N 0 0 155.176 1.072 10 0 ADAERN Nc1cccc(C2=NC(=O)CS2)c1 402722161 346631593 /nfs/dbraw/zinc/63/15/93/346631593.db2.gz HGPDYJLOINBZBI-UHFFFAOYSA-N 0 0 192.243 1.289 10 0 ADAERN Fc1nccnc1N1CCCC1 402752155 346631601 /nfs/dbraw/zinc/63/16/01/346631601.db2.gz AYWXYOLCCJIOSU-UHFFFAOYSA-N 0 0 167.187 1.216 10 0 ADAERN Fc1nccnc1Sc1ncc[nH]1 402736626 346631611 /nfs/dbraw/zinc/63/16/11/346631611.db2.gz GEJHGFSIRBJBNX-UHFFFAOYSA-N 0 0 196.210 1.490 10 0 ADAERN Cc1nccn1-c1nccnc1F 402687979 346631670 /nfs/dbraw/zinc/63/16/70/346631670.db2.gz BEPADSMUBMQVBR-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN Fc1nccnc1-n1cc(Cl)cn1 402724663 346631695 /nfs/dbraw/zinc/63/16/95/346631695.db2.gz OMOPVGPRIZYZAQ-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN CN(c1nccnc1F)C1CC1 402767170 346631891 /nfs/dbraw/zinc/63/18/91/346631891.db2.gz HDKUSPYGOGIDHA-UHFFFAOYSA-N 0 0 167.187 1.214 10 0 ADAERN Cc1nocc1-c1nnc(Cl)o1 402762011 346631928 /nfs/dbraw/zinc/63/19/28/346631928.db2.gz GJAOYVCOKUKALY-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN Oc1cn2c3c(sc2n1)CCCC3 402798454 346631966 /nfs/dbraw/zinc/63/19/66/346631966.db2.gz KLJDRNWXDGSDNV-UHFFFAOYSA-N 0 0 194.259 1.980 10 0 ADAERN Cc1sc2nc(O)cn2c1C 402778406 346631991 /nfs/dbraw/zinc/63/19/91/346631991.db2.gz BNZXWGRSUPMKSF-UHFFFAOYSA-N 0 0 168.221 1.718 10 0 ADAERN CC(C)=CCNc1nccnc1F 402777167 346632003 /nfs/dbraw/zinc/63/20/03/346632003.db2.gz LZLOQAVQZRWTLK-UHFFFAOYSA-N 0 0 181.214 1.994 10 0 ADAERN CCc1nn2cc(O)nc2s1 402781240 346632017 /nfs/dbraw/zinc/63/20/17/346632017.db2.gz CLDZDIYFWNUNGB-UHFFFAOYSA-N 0 0 169.209 1.059 10 0 ADAERN CC(C)N(C)c1nccnc1F 402769263 346632023 /nfs/dbraw/zinc/63/20/23/346632023.db2.gz IBYIUWILBPDSQN-UHFFFAOYSA-N 0 0 169.203 1.460 10 0 ADAERN C[C@@H]1CCCN1c1nccnc1F 402799755 346632092 /nfs/dbraw/zinc/63/20/92/346632092.db2.gz WNKXWIMXNDGXJA-SSDOTTSWSA-N 0 0 181.214 1.604 10 0 ADAERN Cc1nocc1-c1nc(Cl)no1 402775700 346632113 /nfs/dbraw/zinc/63/21/13/346632113.db2.gz PGALSWURVXZXFF-UHFFFAOYSA-N 0 0 185.570 1.686 10 0 ADAERN C[C@@H]1CCCC2=NC(=O)CN21 402776224 346632173 /nfs/dbraw/zinc/63/21/73/346632173.db2.gz AORCDUFPQNLCJN-ZCFIWIBFSA-N 0 0 152.197 1.486 10 0 ADAERN C[C@H]1CCCC2=NC(=O)CN21 402776223 346632230 /nfs/dbraw/zinc/63/22/30/346632230.db2.gz AORCDUFPQNLCJN-LURJTMIESA-N 0 0 152.197 1.486 10 0 ADAERN Fc1nccnc1N1CCCCC1 402776445 346632310 /nfs/dbraw/zinc/63/23/10/346632310.db2.gz LLVCWUVDGOMQEZ-UHFFFAOYSA-N 0 0 181.214 1.606 10 0 ADAERN C[C@H]1CCCN1c1nccnc1F 402799756 346632324 /nfs/dbraw/zinc/63/23/24/346632324.db2.gz WNKXWIMXNDGXJA-ZETCQYMHSA-N 0 0 181.214 1.604 10 0 ADAERN CN(c1nccnc1F)C1CCC1 402846504 346632561 /nfs/dbraw/zinc/63/25/61/346632561.db2.gz QVEFDXVAOSYBMK-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN C[C@H]1CCN(c2nccnc2F)C1 402804817 346632562 /nfs/dbraw/zinc/63/25/62/346632562.db2.gz YPNBTHZKZSAMOB-ZETCQYMHSA-N 0 0 181.214 1.462 10 0 ADAERN CC1(C)CN(c2nccnc2F)C1 402813210 346632565 /nfs/dbraw/zinc/63/25/65/346632565.db2.gz FJGKJLFHVBYWIW-UHFFFAOYSA-N 0 0 181.214 1.462 10 0 ADAERN C[C@H]1C[C@@H](C)CC2=NC(=O)CN21 402816043 346632567 /nfs/dbraw/zinc/63/25/67/346632567.db2.gz OLHKPQDZASONFD-RQJHMYQMSA-N 0 0 166.224 1.732 10 0 ADAERN Cc1csc2nc(O)cn12 402842454 346632578 /nfs/dbraw/zinc/63/25/78/346632578.db2.gz ZRJKAUCIDZZUNK-UHFFFAOYSA-N 0 0 154.194 1.410 10 0 ADAERN C[C@H]1CCN2CC(=O)N=C2C1 402836498 346632582 /nfs/dbraw/zinc/63/25/82/346632582.db2.gz XALOPWYUYXWIJT-LURJTMIESA-N 0 0 152.197 1.171 10 0 ADAERN CN(c1nccnc1F)C(C)(C)C 402820682 346632644 /nfs/dbraw/zinc/63/26/44/346632644.db2.gz HMVMHJHOIKIUQW-UHFFFAOYSA-N 0 0 183.230 1.850 10 0 ADAERN C[C@@H]1CCC2=NC(=O)CN2C1 402825674 346632650 /nfs/dbraw/zinc/63/26/50/346632650.db2.gz ROPQZCSIURIJTR-ZCFIWIBFSA-N 0 0 152.197 1.171 10 0 ADAERN CC(C)Cc1nn2cc(O)nc2s1 402827728 346632654 /nfs/dbraw/zinc/63/26/54/346632654.db2.gz SMJNXFTXTTXYQA-UHFFFAOYSA-N 0 0 197.263 1.695 10 0 ADAERN O=C1CSC(c2ccccc2O)=N1 402804721 346632669 /nfs/dbraw/zinc/63/26/69/346632669.db2.gz RHVLDUZMDIYRDM-UHFFFAOYSA-N 0 0 193.227 1.412 10 0 ADAERN NC(=S)CCC(F)(F)Cl 402844260 346632726 /nfs/dbraw/zinc/63/27/26/346632726.db2.gz LTSRNUKOFOUGGI-UHFFFAOYSA-N 0 0 173.615 1.884 10 0 ADAERN C[C@@H]1CC2=NC(=O)CN2[C@@H](C)C1 402816033 346632734 /nfs/dbraw/zinc/63/27/34/346632734.db2.gz OLHKPQDZASONFD-BQBZGAKWSA-N 0 0 166.224 1.732 10 0 ADAERN NNCc1cccc2cnsc12 403063417 346633186 /nfs/dbraw/zinc/63/31/86/346633186.db2.gz RUZAAEGRNNKJNC-UHFFFAOYSA-N 0 0 179.248 1.260 10 0 ADAERN C[C@H](NN)c1cccc2cnsc12 403039696 346633247 /nfs/dbraw/zinc/63/32/47/346633247.db2.gz CRRFJRBEOIPCLE-LURJTMIESA-N 0 0 193.275 1.821 10 0 ADAERN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)F 403142530 346633357 /nfs/dbraw/zinc/63/33/57/346633357.db2.gz DRVCCHJVVRXVGR-FSDSQADBSA-N 0 0 189.205 1.556 10 0 ADAERN C[C@@H](NN)c1cccc2cnsc12 403039701 346633435 /nfs/dbraw/zinc/63/34/35/346633435.db2.gz CRRFJRBEOIPCLE-ZCFIWIBFSA-N 0 0 193.275 1.821 10 0 ADAERN O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)C(F)F 403142533 346633474 /nfs/dbraw/zinc/63/34/74/346633474.db2.gz DRVCCHJVVRXVGR-LYFYHCNISA-N 0 0 189.205 1.556 10 0 ADAERN NNc1cccc2cnsc12 402882813 346633514 /nfs/dbraw/zinc/63/35/14/346633514.db2.gz ZMFOYNPBOJMDEQ-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN COC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403224759 346633882 /nfs/dbraw/zinc/63/38/82/346633882.db2.gz MCCBPIMVSVKQSR-BIIVOSGPSA-N 0 0 169.224 1.531 10 0 ADAERN O=CNC[C@@H]1CC[C@H]2C[C@H]2C1 403186438 346633889 /nfs/dbraw/zinc/63/38/89/346633889.db2.gz SUWGBNLIUNWCCS-HRDYMLBCSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@H](NN)[C@@H]1CC[C@@H]2C[C@@H]2C1 403215435 346633901 /nfs/dbraw/zinc/63/39/01/346633901.db2.gz JEVORUSIEOAKEP-KDXUFGMBSA-N 0 0 154.257 1.274 10 0 ADAERN CNC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 403168227 346633906 /nfs/dbraw/zinc/63/39/06/346633906.db2.gz BZWLHRXFTVQXSD-HRDYMLBCSA-N 0 0 182.267 1.352 10 0 ADAERN CNC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 403168224 346633922 /nfs/dbraw/zinc/63/39/22/346633922.db2.gz BZWLHRXFTVQXSD-HLTSFMKQSA-N 0 0 182.267 1.352 10 0 ADAERN N#CN[C@@H]1CC[C@@H]2C[C@@H]2C1 403167722 346633964 /nfs/dbraw/zinc/63/39/64/346633964.db2.gz BVPFAIOGRZRJTK-BWZBUEFSSA-N 0 0 136.198 1.246 10 0 ADAERN COC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 403224760 346633976 /nfs/dbraw/zinc/63/39/76/346633976.db2.gz MCCBPIMVSVKQSR-BWZBUEFSSA-N 0 0 169.224 1.531 10 0 ADAERN C[C@H](NN)[C@@H]1CC[C@H]2C[C@H]2C1 403215443 346633995 /nfs/dbraw/zinc/63/39/95/346633995.db2.gz JEVORUSIEOAKEP-UYXSQOIJSA-N 0 0 154.257 1.274 10 0 ADAERN N#CN[C@@H]1CC[C@H]2C[C@H]2C1 403167719 346634049 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167.252 1.701 10 0 ADAERN CN(C)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403229702 346634298 /nfs/dbraw/zinc/63/42/98/346634298.db2.gz NVCZKGWFIJGWTF-XHNCKOQMSA-N 0 0 182.267 1.446 10 0 ADAERN C=CC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 403259590 346634303 /nfs/dbraw/zinc/63/43/03/346634303.db2.gz LKNCZLGUEMFLBC-IWSPIJDZSA-N 0 0 165.236 1.477 10 0 ADAERN CNC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403233030 346634314 /nfs/dbraw/zinc/63/43/14/346634314.db2.gz OZSXPKSJIXUHCO-BIIVOSGPSA-N 0 0 168.240 1.104 10 0 ADAERN CN(C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 403229701 346634318 /nfs/dbraw/zinc/63/43/18/346634318.db2.gz NVCZKGWFIJGWTF-IWSPIJDZSA-N 0 0 182.267 1.446 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403239849 346634333 /nfs/dbraw/zinc/63/43/33/346634333.db2.gz PFTLTJRDQOIITM-XHNCKOQMSA-N 0 0 167.252 1.701 10 0 ADAERN N#CNC[C@@H]1CC[C@@H]2C[C@@H]2C1 403262535 346634341 /nfs/dbraw/zinc/63/43/41/346634341.db2.gz YDMMOBFEJSTHTB-HLTSFMKQSA-N 0 0 150.225 1.493 10 0 ADAERN CC(C)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403253899 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/nfs/dbraw/zinc/64/04/96/346640496.db2.gz DGDYNVKXOYVIEW-UHFFFAOYSA-N 0 0 195.247 1.402 10 0 ADAERN O=C1CCN(Cc2ccns2)CC1 404283152 346640502 /nfs/dbraw/zinc/64/05/02/346640502.db2.gz PKUUEGZJVLWVGP-UHFFFAOYSA-N 0 0 196.275 1.308 10 0 ADAERN C/C(=C/c1ccc(O)cc1F)CO 404278442 346640600 /nfs/dbraw/zinc/64/06/00/346640600.db2.gz TYDANIYCFGOXHM-DAXSKMNVSA-N 0 0 182.194 1.927 10 0 ADAERN O=C1NCCCN1Cc1ccns1 404275642 346640610 /nfs/dbraw/zinc/64/06/10/346640610.db2.gz AVCVZBWMXPCFNP-UHFFFAOYSA-N 0 0 197.263 1.058 10 0 ADAERN Cc1cc(CN2CCC(=O)C2)sn1 404288720 346640643 /nfs/dbraw/zinc/64/06/43/346640643.db2.gz SQHTUZAZBDUBGS-UHFFFAOYSA-N 0 0 196.275 1.226 10 0 ADAERN OC/C=C/c1ccc(O)cc1F 404252119 346640658 /nfs/dbraw/zinc/64/06/58/346640658.db2.gz JYVTZMVMIWALIH-OWOJBTEDSA-N 0 0 168.167 1.537 10 0 ADAERN Oc1ccc([C@@H](O)C(F)F)c(F)c1 404277002 346640672 /nfs/dbraw/zinc/64/06/72/346640672.db2.gz SLBVFHHPGXQOBB-SSDOTTSWSA-N 0 0 192.136 1.830 10 0 ADAERN O=c1[nH]ccn1Cc1ccns1 404303426 346640715 /nfs/dbraw/zinc/64/07/15/346640715.db2.gz QOWLNSRTDYOCMO-UHFFFAOYSA-N 0 0 181.220 1.094 10 0 ADAERN C[C@H](O)/C=C/c1ccc(O)cc1F 404249532 346640747 /nfs/dbraw/zinc/64/07/47/346640747.db2.gz IIWSAIBBZHILJT-AIYRYJHASA-N 0 0 182.194 1.925 10 0 ADAERN O=C1CC[C@H](N2CCC=C(Cl)C2)C1 404331325 346641037 /nfs/dbraw/zinc/64/10/37/346641037.db2.gz BNONRKRMEGNDPD-VIFPVBQESA-N 0 0 199.681 1.936 10 0 ADAERN ClC1=CCCN(c2ncc[nH]2)C1 404359631 346641122 /nfs/dbraw/zinc/64/11/22/346641122.db2.gz PYQOFIMYZVNNNE-UHFFFAOYSA-N 0 0 183.642 1.743 10 0 ADAERN Cc1cc(CNC#N)sn1 404322963 346641128 /nfs/dbraw/zinc/64/11/28/346641128.db2.gz KLIMEOIAXAGITJ-UHFFFAOYSA-N 0 0 153.210 1.022 10 0 ADAERN O=C1CC[C@@H](N2CCC=C(Cl)C2)C1 404331323 346641233 /nfs/dbraw/zinc/64/12/33/346641233.db2.gz BNONRKRMEGNDPD-SECBINFHSA-N 0 0 199.681 1.936 10 0 ADAERN N#CN1CCC(c2cn[nH]c2)CC1 404349710 346641241 /nfs/dbraw/zinc/64/12/41/346641241.db2.gz KJBDHJYSURCNAP-UHFFFAOYSA-N 0 0 176.223 1.070 10 0 ADAERN N[C@@H](c1ccns1)c1nccs1 404412684 346641679 /nfs/dbraw/zinc/64/16/79/346641679.db2.gz KLGYOJDTQVHIHB-LURJTMIESA-N 0 0 197.288 1.648 10 0 ADAERN S=c1[nH]ccn1Cc1ccns1 404390890 346641723 /nfs/dbraw/zinc/64/17/23/346641723.db2.gz YDEJRQTVXNLCDL-UHFFFAOYSA-N 0 0 197.288 1.677 10 0 ADAERN N[C@H](c1ccns1)c1nccs1 404412686 346641762 /nfs/dbraw/zinc/64/17/62/346641762.db2.gz KLGYOJDTQVHIHB-ZCFIWIBFSA-N 0 0 197.288 1.648 10 0 ADAERN Cc1cc(-c2ncc(N)cn2)sn1 404420046 346641824 /nfs/dbraw/zinc/64/18/24/346641824.db2.gz RFXNZGJROXUQLI-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1cnc(-c2ccns2)nc1 404404649 346641832 /nfs/dbraw/zinc/64/18/32/346641832.db2.gz CDPUCGQDFIMEAU-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN C[C@H]1CS[C@@H](c2ccns2)N1 404439649 346642424 /nfs/dbraw/zinc/64/24/24/346642424.db2.gz JCDUTCBPBGUJHG-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN C[C@@H]1CS[C@@H](c2ccns2)N1 404439653 346642292 /nfs/dbraw/zinc/64/22/92/346642292.db2.gz JCDUTCBPBGUJHG-VDTYLAMSSA-N 0 0 186.305 1.867 10 0 ADAERN NC(=S)N1CCC=C(Cl)C1 404438721 346642302 /nfs/dbraw/zinc/64/23/02/346642302.db2.gz VUCSAOUNGLDTNA-UHFFFAOYSA-N 0 0 176.672 1.058 10 0 ADAERN C[C@H]1CS[C@H](c2ccns2)N1 404439647 346642354 /nfs/dbraw/zinc/64/23/54/346642354.db2.gz JCDUTCBPBGUJHG-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN O=C1CCC[C@@H]1N1CCC=C(Cl)C1 404423082 346642372 /nfs/dbraw/zinc/64/23/72/346642372.db2.gz WSPNKBJAEKGTFS-VIFPVBQESA-N 0 0 199.681 1.936 10 0 ADAERN O=C1CCC[C@H]1N1CCC=C(Cl)C1 404423081 346642383 /nfs/dbraw/zinc/64/23/83/346642383.db2.gz WSPNKBJAEKGTFS-SECBINFHSA-N 0 0 199.681 1.936 10 0 ADAERN O[C@@H](c1ccc[nH]1)c1ccns1 404436746 346642413 /nfs/dbraw/zinc/64/24/13/346642413.db2.gz CZKGFAYXZQQHLL-QMMMGPOBSA-N 0 0 180.232 1.553 10 0 ADAERN OCc1c[nH]c(-c2ccns2)n1 404435595 346642429 /nfs/dbraw/zinc/64/24/29/346642429.db2.gz QZQIDEKSLBMIKG-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN O[C@H](c1ccc[nH]1)c1ccns1 404436744 346642463 /nfs/dbraw/zinc/64/24/63/346642463.db2.gz CZKGFAYXZQQHLL-MRVPVSSYSA-N 0 0 180.232 1.553 10 0 ADAERN C[C@@H]1CS[C@H](c2ccns2)N1 404439652 346642583 /nfs/dbraw/zinc/64/25/83/346642583.db2.gz JCDUTCBPBGUJHG-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN CNC(=S)N1CCC=C(Cl)C1 404432989 346642592 /nfs/dbraw/zinc/64/25/92/346642592.db2.gz RNXBDDLPUGYVCV-UHFFFAOYSA-N 0 0 190.699 1.319 10 0 ADAERN c1cc([C@@H]2NCCCS2)sn1 404444964 346642921 /nfs/dbraw/zinc/64/29/21/346642921.db2.gz NBAYFDXCMHDQAI-SSDOTTSWSA-N 0 0 186.305 1.868 10 0 ADAERN c1cc([C@H]2NCCCS2)sn1 404444968 346642938 /nfs/dbraw/zinc/64/29/38/346642938.db2.gz NBAYFDXCMHDQAI-ZETCQYMHSA-N 0 0 186.305 1.868 10 0 ADAERN Cc1cc(C[C@@H]2CCC(=O)N2)sn1 404444053 346643045 /nfs/dbraw/zinc/64/30/45/346643045.db2.gz BBTWORVOAZNTGR-ZETCQYMHSA-N 0 0 196.275 1.273 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1ccns1 404441787 346643132 /nfs/dbraw/zinc/64/31/32/346643132.db2.gz HSJXTILKMVUBPW-BQBZGAKWSA-N 0 0 167.233 1.836 10 0 ADAERN Cc1cc(C[C@H]2CCC(=O)N2)sn1 404444046 346643177 /nfs/dbraw/zinc/64/31/77/346643177.db2.gz BBTWORVOAZNTGR-SSDOTTSWSA-N 0 0 196.275 1.273 10 0 ADAERN CC1(C)C(=O)N[C@H]1c1ccns1 404445575 346643182 /nfs/dbraw/zinc/64/31/82/346643182.db2.gz CCHGYEDSDWAUAC-LURJTMIESA-N 0 0 182.248 1.340 10 0 ADAERN c1ncc(NCc2ccns2)cn1 404450545 346643258 /nfs/dbraw/zinc/64/32/58/346643258.db2.gz GCURKAZSWOQQKH-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1ccns1 404441790 346643279 /nfs/dbraw/zinc/64/32/79/346643279.db2.gz HSJXTILKMVUBPW-RQJHMYQMSA-N 0 0 167.233 1.836 10 0 ADAERN CC1(C)C(=O)N[C@@H]1c1ccns1 404445577 346643298 /nfs/dbraw/zinc/64/32/98/346643298.db2.gz CCHGYEDSDWAUAC-ZCFIWIBFSA-N 0 0 182.248 1.340 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1ccns1 404441788 346643311 /nfs/dbraw/zinc/64/33/11/346643311.db2.gz HSJXTILKMVUBPW-NKWVEPMBSA-N 0 0 167.233 1.836 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1ccns1 404441789 346643323 /nfs/dbraw/zinc/64/33/23/346643323.db2.gz HSJXTILKMVUBPW-RNFRBKRXSA-N 0 0 167.233 1.836 10 0 ADAERN Cc1cc(CNc2cn[nH]c2)sn1 404443136 346643385 /nfs/dbraw/zinc/64/33/85/346643385.db2.gz IRYWMYBATRBSJL-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN Cc1cc([C@H]2NC(=O)C2(C)C)sn1 404452037 346643388 /nfs/dbraw/zinc/64/33/88/346643388.db2.gz GZPABGLPVFRXOP-SSDOTTSWSA-N 0 0 196.275 1.649 10 0 ADAERN Cc1cc(N)nc(-c2ccns2)n1 404442181 346643412 /nfs/dbraw/zinc/64/34/12/346643412.db2.gz LGHHBPJGALGBCM-UHFFFAOYSA-N 0 0 192.247 1.321 10 0 ADAERN C[C@@]1(Cc2ccns2)CCC(=O)N1 404454612 346643465 /nfs/dbraw/zinc/64/34/65/346643465.db2.gz ISDLPXFFRRMAGR-VIFPVBQESA-N 0 0 196.275 1.354 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1c1ccns1 404453031 346643509 /nfs/dbraw/zinc/64/35/09/346643509.db2.gz HPRSBRDICXZSBD-YUMQZZPRSA-N 0 0 196.275 1.586 10 0 ADAERN c1cc([C@H]2NCCS2)sn1 404456096 346643537 /nfs/dbraw/zinc/64/35/37/346643537.db2.gz VSPKCFMPYFUBIK-LURJTMIESA-N 0 0 172.278 1.478 10 0 ADAERN Cc1cc([C@H]2NCCS2)sn1 404456742 346643578 /nfs/dbraw/zinc/64/35/78/346643578.db2.gz WNBIPKNZDKULII-ZETCQYMHSA-N 0 0 186.305 1.787 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@@H]1c1ccns1 404453025 346643695 /nfs/dbraw/zinc/64/36/95/346643695.db2.gz HPRSBRDICXZSBD-HTQZYQBOSA-N 0 0 196.275 1.586 10 0 ADAERN Cc1cc([C@@H]2NCCS2)sn1 404456740 346643786 /nfs/dbraw/zinc/64/37/86/346643786.db2.gz WNBIPKNZDKULII-SSDOTTSWSA-N 0 0 186.305 1.787 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1c1ccns1 404453027 346643823 /nfs/dbraw/zinc/64/38/23/346643823.db2.gz HPRSBRDICXZSBD-JGVFFNPUSA-N 0 0 196.275 1.586 10 0 ADAERN CC(C)[C@H]1C(=O)N[C@H]1c1ccns1 404453029 346643863 /nfs/dbraw/zinc/64/38/63/346643863.db2.gz HPRSBRDICXZSBD-SFYZADRCSA-N 0 0 196.275 1.586 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccns2)S1 404457766 346643889 /nfs/dbraw/zinc/64/38/89/346643889.db2.gz XMDAWLAVIZRJIH-IYSWYEEDSA-N 0 0 186.305 1.867 10 0 ADAERN CNc1ccnc(-c2ccns2)n1 404456653 346643927 /nfs/dbraw/zinc/64/39/27/346643927.db2.gz WEPBZCCCXLPDOR-UHFFFAOYSA-N 0 0 192.247 1.064 10 0 ADAERN C[C@]1(Cc2ccns2)CCC(=O)N1 404454611 346643943 /nfs/dbraw/zinc/64/39/43/346643943.db2.gz ISDLPXFFRRMAGR-SECBINFHSA-N 0 0 196.275 1.354 10 0 ADAERN C[C@H]1CN[C@H](c2ccns2)S1 404457765 346643946 /nfs/dbraw/zinc/64/39/46/346643946.db2.gz XMDAWLAVIZRJIH-FSPLSTOPSA-N 0 0 186.305 1.867 10 0 ADAERN c1cc([C@@H]2NCCS2)sn1 404456099 346643973 /nfs/dbraw/zinc/64/39/73/346643973.db2.gz VSPKCFMPYFUBIK-ZCFIWIBFSA-N 0 0 172.278 1.478 10 0 ADAERN C[C@H]1CN[C@@H](c2ccns2)S1 404457761 346643993 /nfs/dbraw/zinc/64/39/93/346643993.db2.gz XMDAWLAVIZRJIH-CAHLUQPWSA-N 0 0 186.305 1.867 10 0 ADAERN Clc1nc(-c2ccns2)no1 404455144 346644010 /nfs/dbraw/zinc/64/40/10/346644010.db2.gz LSLHTJHCUJUEJF-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN Cc1cc([C@H]2OC(=O)N=C2N)sn1 404464876 346644121 /nfs/dbraw/zinc/64/41/21/346644121.db2.gz VJXMAESIJQVGEI-RXMQYKEDSA-N 0 0 197.219 1.210 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1c1ccns1 404464622 346644132 /nfs/dbraw/zinc/64/41/32/346644132.db2.gz RMPULCIRRMCEDJ-VXNVDRBHSA-N 0 0 196.275 1.730 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1c1ccns1 404464620 346644147 /nfs/dbraw/zinc/64/41/47/346644147.db2.gz RMPULCIRRMCEDJ-IONNQARKSA-N 0 0 196.275 1.730 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1c1ccns1 404464613 346644236 /nfs/dbraw/zinc/64/42/36/346644236.db2.gz RMPULCIRRMCEDJ-APPZFPTMSA-N 0 0 196.275 1.730 10 0 ADAERN O=C1N[C@H](c2ccns2)[C@H]1C1CC1 404467744 346644316 /nfs/dbraw/zinc/64/43/16/346644316.db2.gz UWPPJPQXELKSGR-HTQZYQBOSA-N 0 0 194.259 1.340 10 0 ADAERN Cc1cc([C@@H]2OC(=O)N=C2N)sn1 404464886 346644321 /nfs/dbraw/zinc/64/43/21/346644321.db2.gz VJXMAESIJQVGEI-YFKPBYRVSA-N 0 0 197.219 1.210 10 0 ADAERN c1cc(CNc2cnns2)sn1 404468178 346644353 /nfs/dbraw/zinc/64/43/53/346644353.db2.gz OCIXFSGJPYONJL-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN O=C1N[C@@H](c2ccns2)[C@H]1C1CC1 404467751 346644428 /nfs/dbraw/zinc/64/44/28/346644428.db2.gz UWPPJPQXELKSGR-SFYZADRCSA-N 0 0 194.259 1.340 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1c1ccns1 404464616 346644437 /nfs/dbraw/zinc/64/44/37/346644437.db2.gz RMPULCIRRMCEDJ-CBAPKCEASA-N 0 0 196.275 1.730 10 0 ADAERN O=C1N[C@@H](c2ccns2)[C@@H]1C1CC1 404467765 346644444 /nfs/dbraw/zinc/64/44/44/346644444.db2.gz UWPPJPQXELKSGR-YUMQZZPRSA-N 0 0 194.259 1.340 10 0 ADAERN O=C1N[C@H](c2ccns2)[C@@H]1C1CC1 404467748 346644467 /nfs/dbraw/zinc/64/44/67/346644467.db2.gz UWPPJPQXELKSGR-JGVFFNPUSA-N 0 0 194.259 1.340 10 0 ADAERN c1cc(CNCc2cocn2)sn1 404462250 346644469 /nfs/dbraw/zinc/64/44/69/346644469.db2.gz KKRLDIXGIVYPEW-UHFFFAOYSA-N 0 0 195.247 1.421 10 0 ADAERN O=C1CC(=O)CC(c2ccns2)C1 404474323 346644769 /nfs/dbraw/zinc/64/47/69/346644769.db2.gz PCJFMRGRHKPBNF-UHFFFAOYSA-N 0 0 195.243 1.549 10 0 ADAERN CC1(C)NC(=O)C[C@H]1c1ccns1 404480371 346644786 /nfs/dbraw/zinc/64/47/86/346644786.db2.gz FFMVMHXRDDPCDU-LURJTMIESA-N 0 0 196.275 1.525 10 0 ADAERN CC[C@@H]1NC(=O)C[C@H]1c1ccns1 404479244 346644793 /nfs/dbraw/zinc/64/47/93/346644793.db2.gz DCMLXIIVYIOYCV-RQJHMYQMSA-N 0 0 196.275 1.525 10 0 ADAERN Cc1cc([C@H]2CC(=O)N2)sn1 404478669 346644857 /nfs/dbraw/zinc/64/48/57/346644857.db2.gz CQWKEMHKHJMMMC-RXMQYKEDSA-N 0 0 168.221 1.013 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@H]1c1ccns1 404479241 346644869 /nfs/dbraw/zinc/64/48/69/346644869.db2.gz DCMLXIIVYIOYCV-BQBZGAKWSA-N 0 0 196.275 1.525 10 0 ADAERN CC[C@H]1NC(=O)C[C@@H]1c1ccns1 404479242 346644874 /nfs/dbraw/zinc/64/48/74/346644874.db2.gz DCMLXIIVYIOYCV-NKWVEPMBSA-N 0 0 196.275 1.525 10 0 ADAERN CC(=O)c1c[nH]c(-c2ccns2)n1 404472273 346644892 /nfs/dbraw/zinc/64/48/92/346644892.db2.gz MRCWDFSZVUBUSC-UHFFFAOYSA-N 0 0 193.231 1.736 10 0 ADAERN CC1(C)NC(=O)C[C@@H]1c1ccns1 404480373 346644957 /nfs/dbraw/zinc/64/49/57/346644957.db2.gz FFMVMHXRDDPCDU-ZCFIWIBFSA-N 0 0 196.275 1.525 10 0 ADAERN O=C1N[C@@H](c2ccns2)C12CCC2 404472334 346645005 /nfs/dbraw/zinc/64/50/05/346645005.db2.gz ZCMHXUPNIXJLIM-ZETCQYMHSA-N 0 0 194.259 1.484 10 0 ADAERN Cc1cc([C@@H]2CC(=O)N2)sn1 404478672 346645008 /nfs/dbraw/zinc/64/50/08/346645008.db2.gz CQWKEMHKHJMMMC-YFKPBYRVSA-N 0 0 168.221 1.013 10 0 ADAERN O=C1N[C@H](c2ccns2)C12CCC2 404472333 346645015 /nfs/dbraw/zinc/64/50/15/346645015.db2.gz ZCMHXUPNIXJLIM-SSDOTTSWSA-N 0 0 194.259 1.484 10 0 ADAERN CC[C@H]1NC(=O)C[C@H]1c1ccns1 404479243 346645017 /nfs/dbraw/zinc/64/50/17/346645017.db2.gz DCMLXIIVYIOYCV-RNFRBKRXSA-N 0 0 196.275 1.525 10 0 ADAERN Cc1cc([C@H](O)c2ccc[nH]2)sn1 404491854 346645374 /nfs/dbraw/zinc/64/53/74/346645374.db2.gz VIRQDDYMFFWQRQ-SECBINFHSA-N 0 0 194.259 1.861 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1c1ccns1 404487256 346645385 /nfs/dbraw/zinc/64/53/85/346645385.db2.gz MCIVJDQVBWSSJL-GKROBHDKSA-N 0 0 196.275 1.381 10 0 ADAERN Cc1cc(Cn2nccc2N)sn1 404487821 346645396 /nfs/dbraw/zinc/64/53/96/346645396.db2.gz NXAILDAYRSHSCC-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1cc([C@@H](O)c2ccc[nH]2)sn1 404491856 346645436 /nfs/dbraw/zinc/64/54/36/346645436.db2.gz VIRQDDYMFFWQRQ-VIFPVBQESA-N 0 0 194.259 1.861 10 0 ADAERN Cc1cc([C@H]2CNC(=O)[C@@H]2C)sn1 404488331 346645437 /nfs/dbraw/zinc/64/54/37/346645437.db2.gz NLGMULOOWIQPJA-RQJHMYQMSA-N 0 0 196.275 1.301 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1c1ccns1 404482643 346645457 /nfs/dbraw/zinc/64/54/57/346645457.db2.gz HYPFIZSCYWJNOS-NTSWFWBYSA-N 0 0 182.248 1.135 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)[C@H]2C)sn1 404488327 346645458 /nfs/dbraw/zinc/64/54/58/346645458.db2.gz NLGMULOOWIQPJA-NKWVEPMBSA-N 0 0 196.275 1.301 10 0 ADAERN Cc1cc([C@H]2CNC(=O)[C@H]2C)sn1 404488324 346645465 /nfs/dbraw/zinc/64/54/65/346645465.db2.gz NLGMULOOWIQPJA-BQBZGAKWSA-N 0 0 196.275 1.301 10 0 ADAERN C[C@H]1NC(=O)C[C@H]1c1ccns1 404482645 346645470 /nfs/dbraw/zinc/64/54/70/346645470.db2.gz HYPFIZSCYWJNOS-PHDIDXHHSA-N 0 0 182.248 1.135 10 0 ADAERN C[C@H]1NC(=O)C[C@@H]1c1ccns1 404482646 346645508 /nfs/dbraw/zinc/64/55/08/346645508.db2.gz HYPFIZSCYWJNOS-RITPCOANSA-N 0 0 182.248 1.135 10 0 ADAERN Cc1cc(N)n(Cc2ccns2)n1 404493672 346645521 /nfs/dbraw/zinc/64/55/21/346645521.db2.gz YLKOJECCDQEDGF-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)[C@@H]2C)sn1 404488329 346645532 /nfs/dbraw/zinc/64/55/32/346645532.db2.gz NLGMULOOWIQPJA-RNFRBKRXSA-N 0 0 196.275 1.301 10 0 ADAERN Cc1cnn(Cc2ccns2)c1N 404487084 346645541 /nfs/dbraw/zinc/64/55/41/346645541.db2.gz MVHYQQIIDHFNQV-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1c1ccns1 404487255 346645558 /nfs/dbraw/zinc/64/55/58/346645558.db2.gz MCIVJDQVBWSSJL-CHKWXVPMSA-N 0 0 196.275 1.381 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@@H]1c1ccns1 404487257 346645562 /nfs/dbraw/zinc/64/55/62/346645562.db2.gz MCIVJDQVBWSSJL-HAFWLYHUSA-N 0 0 196.275 1.381 10 0 ADAERN C[C@@H]1NC(=O)[C@@H](C)[C@H]1c1ccns1 404487259 346645565 /nfs/dbraw/zinc/64/55/65/346645565.db2.gz MCIVJDQVBWSSJL-VMHSAVOQSA-N 0 0 196.275 1.381 10 0 ADAERN Cc1cc([C@H]2CC(=O)N[C@@H]2C)sn1 404499481 346645939 /nfs/dbraw/zinc/64/59/39/346645939.db2.gz VYNRBAJMCPDUBH-RQJHMYQMSA-N 0 0 196.275 1.444 10 0 ADAERN Cc1ccc([C@H](O)C(N)=O)c(Cl)c1 404516704 346645989 /nfs/dbraw/zinc/64/59/89/346645989.db2.gz GFZGUAALUAGKPY-QMMMGPOBSA-N 0 0 199.637 1.167 10 0 ADAERN Cc1cnc(C)c(NC2COC2)c1 404495776 346646024 /nfs/dbraw/zinc/64/60/24/346646024.db2.gz VACAWHLZZAQTIE-UHFFFAOYSA-N 0 0 178.235 1.509 10 0 ADAERN Cc1cc([C@@H]2CNC(=O)C2)sn1 404497235 346646031 /nfs/dbraw/zinc/64/60/31/346646031.db2.gz SMLPMTWGFNHNSE-LURJTMIESA-N 0 0 182.248 1.055 10 0 ADAERN Cc1cc([C@@H]2COC(=O)N2)sn1 404504054 346646033 /nfs/dbraw/zinc/64/60/33/346646033.db2.gz JYBSEMBHFXIOCL-YFKPBYRVSA-N 0 0 184.220 1.232 10 0 ADAERN Cc1cc([C@@H]2CC(=O)N[C@H]2C)sn1 404499478 346646077 /nfs/dbraw/zinc/64/60/77/346646077.db2.gz VYNRBAJMCPDUBH-NKWVEPMBSA-N 0 0 196.275 1.444 10 0 ADAERN Cc1ccc([C@@H](O)C(N)=O)c(Cl)c1 404516701 346646089 /nfs/dbraw/zinc/64/60/89/346646089.db2.gz GFZGUAALUAGKPY-MRVPVSSYSA-N 0 0 199.637 1.167 10 0 ADAERN Cc1cc(=O)[nH]c(-c2ccns2)n1 404505127 346646094 /nfs/dbraw/zinc/64/60/94/346646094.db2.gz LEFZVMMRLXNQIZ-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN c1cc(CNCc2ncc[nH]2)sn1 404503143 346646136 /nfs/dbraw/zinc/64/61/36/346646136.db2.gz ZPNWFZOSBHOWNT-UHFFFAOYSA-N 0 0 194.263 1.156 10 0 ADAERN Cc1cc([C@@H]2CC(=O)N[C@@H]2C)sn1 404499479 346646145 /nfs/dbraw/zinc/64/61/45/346646145.db2.gz VYNRBAJMCPDUBH-RNFRBKRXSA-N 0 0 196.275 1.444 10 0 ADAERN S=c1cc(-c2cnsc2)nc[nH]1 404583418 346646340 /nfs/dbraw/zinc/64/63/40/346646340.db2.gz ADJVIEZNLOGOTE-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN c1cc(CNc2cn[nH]c2)sn1 404518413 346646560 /nfs/dbraw/zinc/64/65/60/346646560.db2.gz YKTRCWHNGWSCIQ-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN O=c1[nH]cncc1-c1cnsc1 404600685 346646845 /nfs/dbraw/zinc/64/68/45/346646845.db2.gz WTAPNTCMRBOAEA-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN O=C(c1cnsc1)[C@@H]1CCOC1 404595596 346646857 /nfs/dbraw/zinc/64/68/57/346646857.db2.gz QBGACBKAGKZTGL-ZCFIWIBFSA-N 0 0 183.232 1.362 10 0 ADAERN O=C(c1cnsc1)c1ccccn1 404594035 346646860 /nfs/dbraw/zinc/64/68/60/346646860.db2.gz OHENYNFNOPHSLO-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN O=C(c1cnsc1)c1cnccn1 404597393 346646870 /nfs/dbraw/zinc/64/68/70/346646870.db2.gz SFZIWNQUGPADEC-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN O=C(c1cnsc1)[C@H]1CCCO1 404594249 346646910 /nfs/dbraw/zinc/64/69/10/346646910.db2.gz OMYZOJZXGVGSHI-SSDOTTSWSA-N 0 0 183.232 1.505 10 0 ADAERN Cc1ccc([C@H](N)C(N)=O)c(Cl)c1 404589498 346646916 /nfs/dbraw/zinc/64/69/16/346646916.db2.gz WLEQCOCBHBDKMY-QMMMGPOBSA-N 0 0 198.653 1.134 10 0 ADAERN S=c1ccc(-c2cnsc2)n[nH]1 404601181 346646937 /nfs/dbraw/zinc/64/69/37/346646937.db2.gz XEDPSMNRTWHUQU-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN S=c1cc(-c2cnsc2)cn[nH]1 404587793 346646944 /nfs/dbraw/zinc/64/69/44/346646944.db2.gz GGMTUWOCIUBZNN-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN O=c1ncc(-c2cnsc2)c[nH]1 404595795 346646956 /nfs/dbraw/zinc/64/69/56/346646956.db2.gz QEFQSCNTLPGMTQ-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN O=c1nc(-c2cnsc2)c(F)c[nH]1 404600961 346646959 /nfs/dbraw/zinc/64/69/59/346646959.db2.gz WWOQWCYNFHZMAL-UHFFFAOYSA-N 0 0 197.194 1.445 10 0 ADAERN O=c1cc(-c2cnsc2)nc[nH]1 404587766 346646968 /nfs/dbraw/zinc/64/69/68/346646968.db2.gz GEEBKWNITZBUIG-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN O=C(c1cnsc1)C1CCOCC1 404605377 346646974 /nfs/dbraw/zinc/64/69/74/346646974.db2.gz BPUCZRODKHXXHB-UHFFFAOYSA-N 0 0 197.259 1.752 10 0 ADAERN O=c1ccc(-c2cnsc2)n[nH]1 404590604 346646980 /nfs/dbraw/zinc/64/69/80/346646980.db2.gz JTRBMVZTTIHFDF-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN S=c1nc(-c2cnsc2)cc[nH]1 404587279 346646984 /nfs/dbraw/zinc/64/69/84/346646984.db2.gz FQKNDYNGOGHDQH-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN Cc1nc(-c2cnsc2)cc(=O)[nH]1 404599193 346647006 /nfs/dbraw/zinc/64/70/06/346647006.db2.gz VBFPRVQUVHTSJT-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CNC(=S)Nc1cc(C)cnc1C 404583608 346647021 /nfs/dbraw/zinc/64/70/21/346647021.db2.gz SDIYZIFBHUAZNN-UHFFFAOYSA-N 0 0 195.291 1.615 10 0 ADAERN Cn1ccc(C(=O)c2cnsc2)n1 404592086 346647034 /nfs/dbraw/zinc/64/70/34/346647034.db2.gz LPIHCKLQYXOWFT-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN Cn1cc(C(=O)c2cnsc2)cn1 404584035 346647047 /nfs/dbraw/zinc/64/70/47/346647047.db2.gz ARFSAOTWNAEFPM-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN Cc1ccc([C@@H](N)C(N)=O)c(Cl)c1 404589496 346647051 /nfs/dbraw/zinc/64/70/51/346647051.db2.gz WLEQCOCBHBDKMY-MRVPVSSYSA-N 0 0 198.653 1.134 10 0 ADAERN O=C(c1cnsc1)c1cscn1 404592388 346647057 /nfs/dbraw/zinc/64/70/57/346647057.db2.gz MDLNSRVDUOEXMQ-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN Nc1cnccc1-c1cnsc1 404604386 346647072 /nfs/dbraw/zinc/64/70/72/346647072.db2.gz AUBYNWPMXDSZTC-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1c(-c2cnsc2)nc[nH]c1=O 404597940 346647078 /nfs/dbraw/zinc/64/70/78/346647078.db2.gz STZYLVUXJKHUOK-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN O=c1cccc(-c2cnsc2)[nH]1 404602569 346647085 /nfs/dbraw/zinc/64/70/85/346647085.db2.gz YZXQHSXQXXRIQQ-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN O=C(c1cnsc1)c1ccncn1 404586206 346647094 /nfs/dbraw/zinc/64/70/94/346647094.db2.gz DKROGDIZCLPYAV-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN O=c1cc(-c2cnsc2)cn[nH]1 404599148 346647108 /nfs/dbraw/zinc/64/71/08/346647108.db2.gz UYSZYEWETHTOTB-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cn1cncc1C(=O)c1cnsc1 404602001 346647111 /nfs/dbraw/zinc/64/71/11/346647111.db2.gz YEXGJTDXRDDIBY-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN O=C(c1cnsc1)c1ncccn1 404597725 346647113 /nfs/dbraw/zinc/64/71/13/346647113.db2.gz SQCZXFWWVLEHQO-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN O=C(c1ccoc1)c1cnsc1 404597398 346647149 /nfs/dbraw/zinc/64/71/49/346647149.db2.gz SGFUFGYQWARSLK-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN O=C(c1cnsc1)c1ncc[nH]1 404599996 346647160 /nfs/dbraw/zinc/64/71/60/346647160.db2.gz VVUVDRMJEYWIIN-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN O=c1nc(-c2cnsc2)cc[nH]1 404592131 346647165 /nfs/dbraw/zinc/64/71/65/346647165.db2.gz LRQUXZMLHPIEAK-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cc1cnc(C)c(NC(N)=S)c1 404585654 346647170 /nfs/dbraw/zinc/64/71/70/346647170.db2.gz UCPUIZJSWVOFHM-UHFFFAOYSA-N 0 0 181.264 1.354 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1cnsc1 404600665 346647186 /nfs/dbraw/zinc/64/71/86/346647186.db2.gz WRCVBTVDDJJEOQ-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN O=C(c1cccnc1)c1cnsc1 404602034 346647193 /nfs/dbraw/zinc/64/71/93/346647193.db2.gz YHCDHFVGXWXWIV-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN Cc1cc(-c2cnsc2)nc(=O)[nH]1 404587055 346647198 /nfs/dbraw/zinc/64/71/98/346647198.db2.gz FLGZGABLPRAALJ-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN O=C(c1cnsc1)c1cncs1 404587936 346647209 /nfs/dbraw/zinc/64/72/09/346647209.db2.gz GMPCYNJOGRTOBZ-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN O=C(c1cn[nH]c1)c1cnsc1 404593988 346647221 /nfs/dbraw/zinc/64/72/21/346647221.db2.gz OEBNEBPQIHHZNJ-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN O=C(c1ccncc1)c1cnsc1 404584681 346647234 /nfs/dbraw/zinc/64/72/34/346647234.db2.gz BNGHBIYZUDUSBH-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN O=C(c1cnsc1)[C@@H]1CCCO1 404594250 346647236 /nfs/dbraw/zinc/64/72/36/346647236.db2.gz OMYZOJZXGVGSHI-ZETCQYMHSA-N 0 0 183.232 1.505 10 0 ADAERN S=c1[nH]cncc1-c1cnsc1 404587742 346647241 /nfs/dbraw/zinc/64/72/41/346647241.db2.gz GBUASZYIEVEOOL-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN O=C(c1cnsc1)c1ccco1 404600987 346647245 /nfs/dbraw/zinc/64/72/45/346647245.db2.gz WXYHCPQIKQXDNS-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN O=C(c1cnsc1)[C@H]1CCOC1 404595595 346647251 /nfs/dbraw/zinc/64/72/51/346647251.db2.gz QBGACBKAGKZTGL-LURJTMIESA-N 0 0 183.232 1.362 10 0 ADAERN O=C1N=NC(c2cnsc2)S1 404586799 346647259 /nfs/dbraw/zinc/64/72/59/346647259.db2.gz FCZYFVYYHNUUNI-UHFFFAOYSA-N 0 0 185.233 1.367 10 0 ADAERN Cn1ccnc1C(=O)c1cnsc1 404609333 346647556 /nfs/dbraw/zinc/64/75/56/346647556.db2.gz DUWBRIYXWWCEAG-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN C[C@@]1(C(=O)c2cnsc2)CCCO1 404610037 346647572 /nfs/dbraw/zinc/64/75/72/346647572.db2.gz FHCUSGAHKDUCTI-VIFPVBQESA-N 0 0 197.259 1.895 10 0 ADAERN Nc1cncc(-c2cnsc2)c1 404626798 346647632 /nfs/dbraw/zinc/64/76/32/346647632.db2.gz RXUBMPGZBALWJC-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN C[C@]1(C(=O)c2cnsc2)CCCO1 404610035 346647731 /nfs/dbraw/zinc/64/77/31/346647731.db2.gz FHCUSGAHKDUCTI-SECBINFHSA-N 0 0 197.259 1.895 10 0 ADAERN Nc1ncccc1-c1cnsc1 404627404 346647750 /nfs/dbraw/zinc/64/77/50/346647750.db2.gz SITKLBAYODKVOE-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Cc1nn(C)c(N)c1-c1cnsc1 404611513 346647753 /nfs/dbraw/zinc/64/77/53/346647753.db2.gz HCDWGUMPTVHRDN-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Nc1cccnc1-c1cnsc1 404633523 346648142 /nfs/dbraw/zinc/64/81/42/346648142.db2.gz XUSODIKUYNNLCJ-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cnc(-c2cnsc2)cn1 404634458 346648184 /nfs/dbraw/zinc/64/81/84/346648184.db2.gz YJQPKKGAKXEZFM-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O[C@@H](c1ccc[nH]1)C1CSC1 404653241 346648200 /nfs/dbraw/zinc/64/82/00/346648200.db2.gz LLWBUFNLDJSHQC-MRVPVSSYSA-N 0 0 169.249 1.411 10 0 ADAERN Nc1ccc(-c2cnsc2)nc1 404635253 346648219 /nfs/dbraw/zinc/64/82/19/346648219.db2.gz YYUUEBONSODYMR-UHFFFAOYSA-N 0 0 177.232 1.787 10 0 ADAERN Nc1cccc(-c2cnsc2)n1 404634098 346648294 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/nfs/dbraw/zinc/68/93/88/346689388.db2.gz HZJBFJJHFJAUCO-UHFFFAOYSA-N 0 0 178.235 1.063 10 0 ADAERN CC(C)(C)[C@H]1CNC(=O)CS1 409430085 346689404 /nfs/dbraw/zinc/68/94/04/346689404.db2.gz DXNNIQKUHGOYHA-ZCFIWIBFSA-N 0 0 173.281 1.264 10 0 ADAERN CCOC(=O)c1cnnc(C)c1C 409429739 346689423 /nfs/dbraw/zinc/68/94/23/346689423.db2.gz SDUMBCUSVGVJFS-UHFFFAOYSA-N 0 0 180.207 1.270 10 0 ADAERN N[C@@H]1[C@H](c2cccs2)C1(F)F 409430088 346689475 /nfs/dbraw/zinc/68/94/75/346689475.db2.gz DXZNYBAWTOAXOF-NTSWFWBYSA-N 0 0 175.203 1.808 10 0 ADAERN CC(C)(C)[C@@H]1CNC(=O)CS1 409430082 346689520 /nfs/dbraw/zinc/68/95/20/346689520.db2.gz DXNNIQKUHGOYHA-LURJTMIESA-N 0 0 173.281 1.264 10 0 ADAERN FC1(F)CNC[C@H]1c1cccnc1 409430528 346689989 /nfs/dbraw/zinc/68/99/89/346689989.db2.gz GVIHJVWKKXEPJE-QMMMGPOBSA-N 0 0 184.189 1.404 10 0 ADAERN O=C1CC(COc2ccccn2)C1 409430221 346690029 /nfs/dbraw/zinc/69/00/29/346690029.db2.gz GBRKGXYVXFJGGX-UHFFFAOYSA-N 0 0 177.203 1.440 10 0 ADAERN CCOC[C@@H]1CN(N)CC12CCCC2 409430431 346690039 /nfs/dbraw/zinc/69/00/39/346690039.db2.gz IOINHBPIXKSGPW-JTQLQIEISA-N 0 0 198.310 1.389 10 0 ADAERN CC(C)=Cc1cc(=O)[nH]c(C)n1 409430523 346690113 /nfs/dbraw/zinc/69/01/13/346690113.db2.gz MBLOTKXOUWUVDN-UHFFFAOYSA-N 0 0 164.208 1.914 10 0 ADAERN CCOC[C@H]1CN(N)CC12CCCC2 409430432 346690163 /nfs/dbraw/zinc/69/01/63/346690163.db2.gz IOINHBPIXKSGPW-SNVBAGLBSA-N 0 0 198.310 1.389 10 0 ADAERN O=c1cc(CC2CC2)[nH]c(=S)[nH]1 409430159 346690175 /nfs/dbraw/zinc/69/01/75/346690175.db2.gz LOPUFUAXEVDSLW-UHFFFAOYSA-N 0 0 182.248 1.423 10 0 ADAERN FC1(F)CNC[C@@H]1c1cccnc1 409430526 346690190 /nfs/dbraw/zinc/69/01/90/346690190.db2.gz GVIHJVWKKXEPJE-MRVPVSSYSA-N 0 0 184.189 1.404 10 0 ADAERN OC1CCC2(CC1)CSC2 409430128 346690205 /nfs/dbraw/zinc/69/02/05/346690205.db2.gz FOANNYKHIRHAEQ-UHFFFAOYSA-N 0 0 158.266 1.655 10 0 ADAERN Clc1ncccc1OC1COC1 409430230 346690314 /nfs/dbraw/zinc/69/03/14/346690314.db2.gz GCQNZKDLIPPESV-UHFFFAOYSA-N 0 0 185.610 1.513 10 0 ADAERN Cc1cnn(-c2ccc(=S)[nH]n2)c1 409430231 346690350 /nfs/dbraw/zinc/69/03/50/346690350.db2.gz MABWRCDGBQKWAF-UHFFFAOYSA-N 0 0 192.247 1.259 10 0 ADAERN CC=C(C)c1cc(=O)[nH]c(=S)[nH]1 409430841 346690766 /nfs/dbraw/zinc/69/07/66/346690766.db2.gz NPOKMWDBJDDMHP-HWKANZROSA-N 0 0 182.248 1.894 10 0 ADAERN CC(C)(C)[C@@H]1OCC(=O)NC1(C)C 409430929 346690832 /nfs/dbraw/zinc/69/08/32/346690832.db2.gz IHGZEAZOZADETG-QMMMGPOBSA-N 0 0 185.267 1.326 10 0 ADAERN O=c1cc(-c2ccoc2)[nH]c(=S)[nH]1 409430536 346690907 /nfs/dbraw/zinc/69/09/07/346690907.db2.gz MHNUIMGRTFBSHZ-UHFFFAOYSA-N 0 0 194.215 1.731 10 0 ADAERN Cc1ccc(OCC2CC(=O)C2)nn1 409430736 346690963 /nfs/dbraw/zinc/69/09/63/346690963.db2.gz HOZQXPYGDKIGSO-UHFFFAOYSA-N 0 0 192.218 1.143 10 0 ADAERN C=Cc1cc(Cl)ncn1 409430654 346690967 /nfs/dbraw/zinc/69/09/67/346690967.db2.gz MUDLVCVGWWYNPH-UHFFFAOYSA-N 0 0 140.573 1.773 10 0 ADAERN CCOCc1cc(Cl)ncn1 409430942 346691004 /nfs/dbraw/zinc/69/10/04/346691004.db2.gz OHSFXSQJLJDKCJ-UHFFFAOYSA-N 0 0 172.615 1.667 10 0 ADAERN CCOCc1cc(Cl)nc(C)n1 409430894 346691090 /nfs/dbraw/zinc/69/10/90/346691090.db2.gz NXICCVVAMFUJEO-UHFFFAOYSA-N 0 0 186.642 1.975 10 0 ADAERN CC(C)(C)[C@H]1OCC(=O)NC1(C)C 409430927 346691103 /nfs/dbraw/zinc/69/11/03/346691103.db2.gz IHGZEAZOZADETG-MRVPVSSYSA-N 0 0 185.267 1.326 10 0 ADAERN O=C1CS[C@H](C2CCCC2)CN1 409431281 346691416 /nfs/dbraw/zinc/69/14/16/346691416.db2.gz IUCAQRANNSZKML-QMMMGPOBSA-N 0 0 185.292 1.408 10 0 ADAERN OCC1CC2(C1)CC2(F)F 409431390 346691581 /nfs/dbraw/zinc/69/15/81/346691581.db2.gz JTORYPCPIUVBFB-UHFFFAOYSA-N 0 0 148.152 1.414 10 0 ADAERN O=C1CS[C@@H](C2CCCC2)CN1 409431280 346691826 /nfs/dbraw/zinc/69/18/26/346691826.db2.gz IUCAQRANNSZKML-MRVPVSSYSA-N 0 0 185.292 1.408 10 0 ADAERN CCOC(=O)N(C)CC1CC(=O)C1 409431368 346691930 /nfs/dbraw/zinc/69/19/30/346691930.db2.gz JRZRHOSYAVKPEL-UHFFFAOYSA-N 0 0 185.223 1.054 10 0 ADAERN Cc1nc([C@H]2CCCO2)cc(=O)[nH]1 409431534 346692409 /nfs/dbraw/zinc/69/24/09/346692409.db2.gz QWHFXBMTIPOVMN-MRVPVSSYSA-N 0 0 180.207 1.342 10 0 ADAERN CC(C)=Cc1cc(=O)[nH]c(=O)[nH]1 409431498 346692213 /nfs/dbraw/zinc/69/22/13/346692213.db2.gz QVDOQZALMQIZAB-UHFFFAOYSA-N 0 0 166.180 1.311 10 0 ADAERN CO[C@H]1C[C@H]1[NH2+]Cc1ccccc1 409431777 346692248 /nfs/dbraw/zinc/69/22/48/346692248.db2.gz KSJNSJIROOBDCK-MNOVXSKESA-N 0 0 177.247 1.564 10 0 ADAERN Cc1nc([C@@H]2CCCO2)cc(=O)[nH]1 409431536 346692455 /nfs/dbraw/zinc/69/24/55/346692455.db2.gz QWHFXBMTIPOVMN-QMMMGPOBSA-N 0 0 180.207 1.342 10 0 ADAERN CO[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1 409431779 346692548 /nfs/dbraw/zinc/69/25/48/346692548.db2.gz KSJNSJIROOBDCK-WDEREUQCSA-N 0 0 177.247 1.564 10 0 ADAERN CO[C@@H]1C[C@H]1[NH2+]Cc1ccccc1 409431776 346692671 /nfs/dbraw/zinc/69/26/71/346692671.db2.gz KSJNSJIROOBDCK-GHMZBOCLSA-N 0 0 177.247 1.564 10 0 ADAERN CO[C@H]1C[C@@H]1[NH2+]Cc1ccccc1 409431778 346692695 /nfs/dbraw/zinc/69/26/95/346692695.db2.gz KSJNSJIROOBDCK-QWRGUYRKSA-N 0 0 177.247 1.564 10 0 ADAERN C=Cc1cc(=O)[nH]c(C2CC2)n1 409432260 346693235 /nfs/dbraw/zinc/69/32/35/346693235.db2.gz VQVDNBWGQFNQBW-UHFFFAOYSA-N 0 0 162.192 1.703 10 0 ADAERN CCC(CC)c1cc(=O)[nH]c(=O)[nH]1 409432160 346693283 /nfs/dbraw/zinc/69/32/83/346693283.db2.gz UORYSHLXJHRPEI-UHFFFAOYSA-N 0 0 182.223 1.791 10 0 ADAERN Nc1ccc(N2CC[C@@H](CF)C2)nc1 409432243 346693418 /nfs/dbraw/zinc/69/34/18/346693418.db2.gz VBKUUSJOVXLONV-QMMMGPOBSA-N 0 0 195.241 1.460 10 0 ADAERN O=c1cc(CC2CC2)nc[nH]1 409432193 346693438 /nfs/dbraw/zinc/69/34/38/346693438.db2.gz VAKAPIBNLGYHPC-UHFFFAOYSA-N 0 0 150.181 1.135 10 0 ADAERN C=Cc1cc(=O)[nH]c(=S)[nH]1 409432227 346693443 /nfs/dbraw/zinc/69/34/43/346693443.db2.gz VGZCZOVXBYBTHD-UHFFFAOYSA-N 0 0 154.194 1.114 10 0 ADAERN Nc1ccc(N2CC[C@H](CF)C2)nc1 409432242 346693456 /nfs/dbraw/zinc/69/34/56/346693456.db2.gz VBKUUSJOVXLONV-MRVPVSSYSA-N 0 0 195.241 1.460 10 0 ADAERN CC[C@H](C)Nc1cc(=O)[nH]c(=O)[nH]1 409432132 346693538 /nfs/dbraw/zinc/69/35/38/346693538.db2.gz UFSSJMGCQGJPSS-YFKPBYRVSA-N 0 0 183.211 1.098 10 0 ADAERN Cc1nc(CC2CC2)cc(=O)[nH]1 409431991 346693561 /nfs/dbraw/zinc/69/35/61/346693561.db2.gz SIWLNHTWCONBEZ-UHFFFAOYSA-N 0 0 164.208 1.443 10 0 ADAERN CC[C@@H](C)Nc1cc(=O)[nH]c(=O)[nH]1 409432128 346693568 /nfs/dbraw/zinc/69/35/68/346693568.db2.gz UFSSJMGCQGJPSS-RXMQYKEDSA-N 0 0 183.211 1.098 10 0 ADAERN CC(C)=Cc1cc(=O)[nH]c(=S)[nH]1 409432650 346693906 /nfs/dbraw/zinc/69/39/06/346693906.db2.gz XCVIZVGWVYPQLT-UHFFFAOYSA-N 0 0 182.248 1.894 10 0 ADAERN O=c1cc(C(F)F)nc(C2CC2)[nH]1 409432554 346693984 /nfs/dbraw/zinc/69/39/84/346693984.db2.gz VROXRTGRGZJYCW-UHFFFAOYSA-N 0 0 186.161 1.997 10 0 ADAERN O=c1cc(CC(F)F)[nH]c(=S)[nH]1 409432595 346694101 /nfs/dbraw/zinc/69/41/01/346694101.db2.gz WLGHTOPCBQOPEE-UHFFFAOYSA-N 0 0 192.190 1.279 10 0 ADAERN Cc1csc(C2CC(=O)C2)n1 409432431 346694257 /nfs/dbraw/zinc/69/42/57/346694257.db2.gz NVTUZUFFSUETPR-UHFFFAOYSA-N 0 0 167.233 1.898 10 0 ADAERN CC(F)(F)[C@H]1CCCN(N)C1 409432504 346694281 /nfs/dbraw/zinc/69/42/81/346694281.db2.gz VWIHHMFBGDGBQQ-LURJTMIESA-N 0 0 164.199 1.227 10 0 ADAERN CC(F)(F)[C@@H]1CCCN(N)C1 409432505 346694331 /nfs/dbraw/zinc/69/43/31/346694331.db2.gz VWIHHMFBGDGBQQ-ZCFIWIBFSA-N 0 0 164.199 1.227 10 0 ADAERN CN1C(=O)CCC(=O)c2sccc21 409432387 346694343 /nfs/dbraw/zinc/69/43/43/346694343.db2.gz NSCUPVOHGKFVLC-UHFFFAOYSA-N 0 0 195.243 1.687 10 0 ADAERN O=C1CC(COc2ccncc2)C1 409432556 346694369 /nfs/dbraw/zinc/69/43/69/346694369.db2.gz ONIBRBBHZHBLAE-UHFFFAOYSA-N 0 0 177.203 1.440 10 0 ADAERN CC=C(C)c1cc(=O)[nH]cn1 409432715 346694382 /nfs/dbraw/zinc/69/43/82/346694382.db2.gz XMOWJNIBYCDLGE-ZZXKWVIFSA-N 0 0 150.181 1.605 10 0 ADAERN COCc1cccc2c1CCN2N 409433049 346694733 /nfs/dbraw/zinc/69/47/33/346694733.db2.gz MGHXQHWXDOAVSJ-UHFFFAOYSA-N 0 0 178.235 1.069 10 0 ADAERN Cc1ccc(OCC2CC(=O)C2)nc1 409432947 346694767 /nfs/dbraw/zinc/69/47/67/346694767.db2.gz QOPQZGJWTGLHOW-UHFFFAOYSA-N 0 0 191.230 1.748 10 0 ADAERN O=C1CC(COc2ncccc2F)C1 409432955 346694792 /nfs/dbraw/zinc/69/47/92/346694792.db2.gz QRHZHWKZLJHBII-UHFFFAOYSA-N 0 0 195.193 1.579 10 0 ADAERN O=c1cc([C@@H]2CCCO2)nc[nH]1 409433214 346694796 /nfs/dbraw/zinc/69/47/96/346694796.db2.gz YJTHACXGQQEBSR-ZETCQYMHSA-N 0 0 166.180 1.034 10 0 ADAERN O=c1cc([C@H]2CCCO2)nc[nH]1 409433213 346694981 /nfs/dbraw/zinc/69/49/81/346694981.db2.gz YJTHACXGQQEBSR-SSDOTTSWSA-N 0 0 166.180 1.034 10 0 ADAERN NN(C1CCSCC1)C1CC1 409433439 346695503 /nfs/dbraw/zinc/69/55/03/346695503.db2.gz MVFQKKZDGOQPEF-UHFFFAOYSA-N 0 0 172.297 1.220 10 0 ADAERN O=C1CS[C@H](C2CCCCC2)CN1 409433531 346695689 /nfs/dbraw/zinc/69/56/89/346695689.db2.gz RYPFZCJMCDUFSJ-VIFPVBQESA-N 0 0 199.319 1.798 10 0 ADAERN O=C1CS[C@@H](C2CCCCC2)CN1 409433529 346695705 /nfs/dbraw/zinc/69/57/05/346695705.db2.gz RYPFZCJMCDUFSJ-SECBINFHSA-N 0 0 199.319 1.798 10 0 ADAERN CC=C(C)c1cc(=O)[nH]c(=O)[nH]1 409433285 346695784 /nfs/dbraw/zinc/69/57/84/346695784.db2.gz ZVHKGCBZQXBRBQ-HWKANZROSA-N 0 0 166.180 1.311 10 0 ADAERN Cc1cccc(OCC2CC(=O)C2)n1 409433545 346695856 /nfs/dbraw/zinc/69/58/56/346695856.db2.gz SHWRLSPJVJKHNT-UHFFFAOYSA-N 0 0 191.230 1.748 10 0 ADAERN CC(C)(C)c1noc(C2CC(=O)C2)n1 409433260 346695899 /nfs/dbraw/zinc/69/58/99/346695899.db2.gz QVEFSRSEUJMAAG-UHFFFAOYSA-N 0 0 194.234 1.814 10 0 ADAERN O=C1CC(COc2ccc(F)cn2)C1 409434054 346696648 /nfs/dbraw/zinc/69/66/48/346696648.db2.gz VFRROESJCONQAC-UHFFFAOYSA-N 0 0 195.193 1.579 10 0 ADAERN FC1(F)CNC[C@H]1c1ccncc1 409434622 346697079 /nfs/dbraw/zinc/69/70/79/346697079.db2.gz ZDGKNBVJPPZGSZ-QMMMGPOBSA-N 0 0 184.189 1.404 10 0 ADAERN FC1(F)CNC[C@@H]1c1ccncc1 409434621 346697255 /nfs/dbraw/zinc/69/72/55/346697255.db2.gz ZDGKNBVJPPZGSZ-MRVPVSSYSA-N 0 0 184.189 1.404 10 0 ADAERN CN1C(=O)CC[C@H]([NH3+])c2sccc21 409434583 346697312 /nfs/dbraw/zinc/69/73/12/346697312.db2.gz YJOZSBBNMXNBIC-LURJTMIESA-N 0 0 196.275 1.505 10 0 ADAERN CN1C(=O)CC[C@@H]([NH3+])c2sccc21 409434584 346697383 /nfs/dbraw/zinc/69/73/83/346697383.db2.gz YJOZSBBNMXNBIC-ZCFIWIBFSA-N 0 0 196.275 1.505 10 0 ADAERN CCN(N)C1CCSCC1 409434942 346698296 /nfs/dbraw/zinc/69/82/96/346698296.db2.gz RKLRVASQVFNEKH-UHFFFAOYSA-N 0 0 160.286 1.078 10 0 ADAERN CC1(CF)CC[NH+](CC(=O)[O-])CC1 409435394 346698322 /nfs/dbraw/zinc/69/83/22/346698322.db2.gz UKCPDIVBRXWMNR-UHFFFAOYSA-N 0 0 189.230 1.143 10 0 ADAERN COC[C@H]1CN(N)CC12CCCCC2 409435821 346699402 /nfs/dbraw/zinc/69/94/02/346699402.db2.gz WRHKXJLOPGUUPM-SNVBAGLBSA-N 0 0 198.310 1.389 10 0 ADAERN COC[C@@H]1CN(N)CC12CCCCC2 409435820 346699461 /nfs/dbraw/zinc/69/94/61/346699461.db2.gz WRHKXJLOPGUUPM-JTQLQIEISA-N 0 0 198.310 1.389 10 0 ADAERN C[C@@H]1CCCc2nc(N)cn21 409436617 346699902 /nfs/dbraw/zinc/69/99/02/346699902.db2.gz NOWNIWWLPKKSRB-ZCFIWIBFSA-N 0 0 151.213 1.363 10 0 ADAERN C[C@@H]1CCCn2cc(N)nc21 409436663 346699984 /nfs/dbraw/zinc/69/99/84/346699984.db2.gz RTDLBWUYFAKSFW-ZCFIWIBFSA-N 0 0 151.213 1.363 10 0 ADAERN C[C@H]1CCn2cc(N)nc2C1 409436665 346700002 /nfs/dbraw/zinc/70/00/02/346700002.db2.gz RWWBPCINDNQSSX-LURJTMIESA-N 0 0 151.213 1.048 10 0 ADAERN C[C@@H]1CCn2cc(N)nc2C1 409436666 346700021 /nfs/dbraw/zinc/70/00/21/346700021.db2.gz RWWBPCINDNQSSX-ZCFIWIBFSA-N 0 0 151.213 1.048 10 0 ADAERN C[C@H]1CCCn2cc(N)nc21 409436662 346700044 /nfs/dbraw/zinc/70/00/44/346700044.db2.gz RTDLBWUYFAKSFW-LURJTMIESA-N 0 0 151.213 1.363 10 0 ADAERN C[C@H]1CCCc2nc(N)cn21 409436616 346700057 /nfs/dbraw/zinc/70/00/57/346700057.db2.gz NOWNIWWLPKKSRB-LURJTMIESA-N 0 0 151.213 1.363 10 0 ADAERN COCc1ccc2c(c1)CCN2N 409436438 346700080 /nfs/dbraw/zinc/70/00/80/346700080.db2.gz ZTTPRCHQKUMFGF-UHFFFAOYSA-N 0 0 178.235 1.069 10 0 ADAERN OCc1c(C2CCC2)nn2cc[nH]c12 409437041 346700569 /nfs/dbraw/zinc/70/05/69/346700569.db2.gz BUQCNSLASKNSOV-UHFFFAOYSA-N 0 0 191.234 1.422 10 0 ADAERN OCc1cc2n(CC3CC3)ccn2n1 409436972 346700571 /nfs/dbraw/zinc/70/05/71/346700571.db2.gz ARQGMJDYAHPBLT-UHFFFAOYSA-N 0 0 191.234 1.038 10 0 ADAERN CC(C)n1nc2c(c1CO)CCCC2 409437265 346700578 /nfs/dbraw/zinc/70/05/78/346700578.db2.gz FJWALUUENJEQBL-UHFFFAOYSA-N 0 0 194.278 1.835 10 0 ADAERN CC(C)n1ccn2nc(CO)cc12 409437008 346700579 /nfs/dbraw/zinc/70/05/79/346700579.db2.gz BBSIYVFKALDNDQ-UHFFFAOYSA-N 0 0 179.223 1.209 10 0 ADAERN CC(C)n1ccn2nc(C=O)cc12 409437236 346700594 /nfs/dbraw/zinc/70/05/94/346700594.db2.gz FCIGRZHIXBRLCZ-UHFFFAOYSA-N 0 0 177.207 1.529 10 0 ADAERN OCCn1cc(-c2ccsc2)cn1 409436788 346700599 /nfs/dbraw/zinc/70/05/99/346700599.db2.gz APEJXDINTPEDGX-UHFFFAOYSA-N 0 0 194.259 1.604 10 0 ADAERN COC(=N)Cn1ccn2nc(C)cc12 409436850 346700602 /nfs/dbraw/zinc/70/06/02/346700602.db2.gz BJUFRIXUSGSZMP-UHFFFAOYSA-N 0 0 192.222 1.068 10 0 ADAERN c1cnc(-c2n[nH]c3c2CCC3)cn1 409436988 346700613 /nfs/dbraw/zinc/70/06/13/346700613.db2.gz CYGRHMRSZXCEMS-UHFFFAOYSA-N 0 0 186.218 1.355 10 0 ADAERN Cn1ccn2ncc(-c3cccnc3)c12 409437174 346700627 /nfs/dbraw/zinc/70/06/27/346700627.db2.gz DAEPDZXBMGETKY-UHFFFAOYSA-N 0 0 198.229 1.735 10 0 ADAERN OCc1c2c(nn1CC1CC1)CCC2 409436840 346700631 /nfs/dbraw/zinc/70/06/31/346700631.db2.gz BIDOSMSPXJULOJ-UHFFFAOYSA-N 0 0 192.262 1.274 10 0 ADAERN c1ccc(-c2cc3[nH]ccn3n2)nc1 409437182 346700642 /nfs/dbraw/zinc/70/06/42/346700642.db2.gz DBLSRBQIJHZNEM-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN c1cn2nc(-c3ccoc3)cc2[nH]1 409437125 346700677 /nfs/dbraw/zinc/70/06/77/346700677.db2.gz CGJFXRGWEOZQND-UHFFFAOYSA-N 0 0 173.175 1.922 10 0 ADAERN Cn1ccn2nc(C(F)(F)F)cc12 409437180 346700702 /nfs/dbraw/zinc/70/07/02/346700702.db2.gz DBEJYHXVODPJEQ-UHFFFAOYSA-N 0 0 189.140 1.692 10 0 ADAERN CCn1nc(-c2cccnc2)cc1N 409436872 346700746 /nfs/dbraw/zinc/70/07/46/346700746.db2.gz BTTYJGBSUVWTQA-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN Cn1ccn2ncc(-c3ccccn3)c12 409437314 346701163 /nfs/dbraw/zinc/70/11/63/346701163.db2.gz FJEMWENKSQEAJB-UHFFFAOYSA-N 0 0 198.229 1.735 10 0 ADAERN CC(C)n1nc2c(c1CO)CCC2 409437728 346701218 /nfs/dbraw/zinc/70/12/18/346701218.db2.gz IIFIYIQOBCXSLQ-UHFFFAOYSA-N 0 0 180.251 1.445 10 0 ADAERN c1cn2nc(C3CCC3)cc2[nH]1 409437316 346701231 /nfs/dbraw/zinc/70/12/31/346701231.db2.gz FJRFVDDISAZJPS-UHFFFAOYSA-N 0 0 161.208 1.930 10 0 ADAERN CC(C)(C)c1cc(=S)[nH]c(=O)[nH]1 409437433 346701249 /nfs/dbraw/zinc/70/12/49/346701249.db2.gz GSNWGIYQZYJFHB-UHFFFAOYSA-N 0 0 184.264 1.768 10 0 ADAERN C[C@@H](C(=O)[O-])[NH+]1CCC(CF)CC1 409437397 346701262 /nfs/dbraw/zinc/70/12/62/346701262.db2.gz GBWWEUCPRJCSQX-ZETCQYMHSA-N 0 0 189.230 1.141 10 0 ADAERN CCc1cc2n(CC)ccn2n1 409437297 346701281 /nfs/dbraw/zinc/70/12/81/346701281.db2.gz FULHONNVRINJFK-UHFFFAOYSA-N 0 0 163.224 1.718 10 0 ADAERN C[C@H](C(=O)[O-])[NH+]1CCC(CF)CC1 409437396 346701286 /nfs/dbraw/zinc/70/12/86/346701286.db2.gz GBWWEUCPRJCSQX-SSDOTTSWSA-N 0 0 189.230 1.141 10 0 ADAERN Cn1cc(CO)c(-c2ccsc2)n1 409437704 346701333 /nfs/dbraw/zinc/70/13/33/346701333.db2.gz IFDHJQDADQMRMA-UHFFFAOYSA-N 0 0 194.259 1.641 10 0 ADAERN Cc1cc2n(CC3CC3)ccn2n1 409438220 346701753 /nfs/dbraw/zinc/70/17/53/346701753.db2.gz KVNTWHXGCPZLEG-UHFFFAOYSA-N 0 0 175.235 1.854 10 0 ADAERN CC(C)Cc1[nH]nc(C2CC2)c1CO 409437891 346701767 /nfs/dbraw/zinc/70/17/67/346701767.db2.gz AUDZFYGBNFHXAZ-UHFFFAOYSA-N 0 0 194.278 1.978 10 0 ADAERN CCc1cc2n(C)ccn2n1 409438227 346701790 /nfs/dbraw/zinc/70/17/90/346701790.db2.gz KYRXKSCFIIKONQ-UHFFFAOYSA-N 0 0 149.197 1.235 10 0 ADAERN c1cn2nc(C3CCOCC3)cc2[nH]1 409437897 346701802 /nfs/dbraw/zinc/70/18/02/346701802.db2.gz JAORXLADDZMXCK-UHFFFAOYSA-N 0 0 191.234 1.556 10 0 ADAERN CCn1nc2c(c1CO)CSCC2 409438218 346701804 /nfs/dbraw/zinc/70/18/04/346701804.db2.gz KTEMKKIIUGYQDP-UHFFFAOYSA-N 0 0 198.291 1.185 10 0 ADAERN Cn1ccn2ncc(-c3ccncc3)c12 409437759 346701807 /nfs/dbraw/zinc/70/18/07/346701807.db2.gz IUUYIXCJWJBLEC-UHFFFAOYSA-N 0 0 198.229 1.735 10 0 ADAERN CCc1[nH]nc(C(C)C)c1C=O 409437963 346701830 /nfs/dbraw/zinc/70/18/30/346701830.db2.gz BGHSFQHYRGDCNH-UHFFFAOYSA-N 0 0 166.224 1.908 10 0 ADAERN Cn1c(C(C)(C)C)cc(=S)[nH]c1=O 409437918 346701849 /nfs/dbraw/zinc/70/18/49/346701849.db2.gz JIWGUNLRZHLTHS-UHFFFAOYSA-N 0 0 198.291 1.367 10 0 ADAERN CC(C)Cc1n[nH]cc1CCC(N)=O 409437953 346701869 /nfs/dbraw/zinc/70/18/69/346701869.db2.gz BFGKBLHBGZIPEJ-UHFFFAOYSA-N 0 0 195.266 1.026 10 0 ADAERN Cn1ccn2nc(C3CC3)cc12 409437769 346701896 /nfs/dbraw/zinc/70/18/96/346701896.db2.gz INYMSYUSWDVYKO-UHFFFAOYSA-N 0 0 161.208 1.550 10 0 ADAERN Nc1cc(C2CC2)nn1CC1CC1 409437839 346701915 /nfs/dbraw/zinc/70/19/15/346701915.db2.gz JFYIXLYDYTWKDO-UHFFFAOYSA-N 0 0 177.251 1.753 10 0 ADAERN OCCn1ccn2nc(C3CC3)cc12 409437916 346701924 /nfs/dbraw/zinc/70/19/24/346701924.db2.gz JGGQEYWISUCGHZ-UHFFFAOYSA-N 0 0 191.234 1.006 10 0 ADAERN OCc1cnn2ccn(CC3CC3)c12 409438169 346701952 /nfs/dbraw/zinc/70/19/52/346701952.db2.gz LFEDGEODRYVZDC-UHFFFAOYSA-N 0 0 191.234 1.038 10 0 ADAERN Cn1ccn2nc(-c3ccncc3)cc12 409438047 346701959 /nfs/dbraw/zinc/70/19/59/346701959.db2.gz JYUQTIOYFUONKL-UHFFFAOYSA-N 0 0 198.229 1.735 10 0 ADAERN Cn1ccn2nc(-c3ccccn3)cc12 409437905 346701960 /nfs/dbraw/zinc/70/19/60/346701960.db2.gz JDUVAIKSWPMWTE-UHFFFAOYSA-N 0 0 198.229 1.735 10 0 ADAERN COC(=N)CCc1c[nH]nc1C1CC1 409438259 346701989 /nfs/dbraw/zinc/70/19/89/346701989.db2.gz BUDRTCUQTJJHNA-UHFFFAOYSA-N 0 0 193.250 1.843 10 0 ADAERN Cc1[nH]nc(-c2ccco2)c1CCO 409437824 346702008 /nfs/dbraw/zinc/70/20/08/346702008.db2.gz AIJMFVZCWMJIKR-UHFFFAOYSA-N 0 0 192.218 1.513 10 0 ADAERN O=Cc1cc2n(CC3CC3)ccn2n1 409437750 346702016 /nfs/dbraw/zinc/70/20/16/346702016.db2.gz ITXRAHMLMGUHEU-UHFFFAOYSA-N 0 0 189.218 1.358 10 0 ADAERN Cn1ccn2nc(C3CC3)c(CO)c12 409438691 346702353 /nfs/dbraw/zinc/70/23/53/346702353.db2.gz NOAXDNSTJMJFKE-UHFFFAOYSA-N 0 0 191.234 1.043 10 0 ADAERN c1cnc(-c2cc3[nH]ccn3n2)cn1 409438328 346702357 /nfs/dbraw/zinc/70/23/57/346702357.db2.gz LTTKIRSTFXXIHB-UHFFFAOYSA-N 0 0 185.190 1.119 10 0 ADAERN CCc1[nH]nc(CC(C)C)c1CO 409438661 346702365 /nfs/dbraw/zinc/70/23/65/346702365.db2.gz DRGJBXKXXUNIGI-UHFFFAOYSA-N 0 0 182.267 1.663 10 0 ADAERN Cn1ccn2nc(-c3ccco3)cc12 409438336 346702389 /nfs/dbraw/zinc/70/23/89/346702389.db2.gz LTZFTONGTFIMOJ-UHFFFAOYSA-N 0 0 187.202 1.933 10 0 ADAERN Cc1[nH]nc(-c2cccnc2)c1C=O 409438349 346702406 /nfs/dbraw/zinc/70/24/06/346702406.db2.gz CYQVAKFKZSVUQW-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN CC(C)c1[nH]nc(C2CC2)c1CO 409438667 346702424 /nfs/dbraw/zinc/70/24/24/346702424.db2.gz DUOBMHYHYIPFNH-UHFFFAOYSA-N 0 0 180.251 1.903 10 0 ADAERN Cc1[nH]nc(C(C)C)c1CO 409438374 346702523 /nfs/dbraw/zinc/70/25/23/346702523.db2.gz DDJGBSNEYOAIIP-UHFFFAOYSA-N 0 0 154.213 1.334 10 0 ADAERN Cc1[nH]nc(C(C)C)c1CCC(N)=O 409438354 346702452 /nfs/dbraw/zinc/70/24/52/346702452.db2.gz DAQSUONZSJOFOK-UHFFFAOYSA-N 0 0 195.266 1.259 10 0 ADAERN OCCc1c[nH]nc1-c1cccnc1 409438737 346702458 /nfs/dbraw/zinc/70/24/58/346702458.db2.gz FJJRSOAITYLZAR-UHFFFAOYSA-N 0 0 189.218 1.007 10 0 ADAERN Cc1cc(-c2ccccn2)nn1CO 409438658 346702468 /nfs/dbraw/zinc/70/24/68/346702468.db2.gz DPXVNTWHKRPUHY-UHFFFAOYSA-N 0 0 189.218 1.203 10 0 ADAERN CC(C)c1[nH]nc(C2CC2)c1CCO 409438679 346702530 /nfs/dbraw/zinc/70/25/30/346702530.db2.gz FCCOQDBFFYLDQG-UHFFFAOYSA-N 0 0 194.278 1.945 10 0 ADAERN CC(C)Cc1n[nH]cc1CCO 409438311 346702535 /nfs/dbraw/zinc/70/25/35/346702535.db2.gz CNDLETULALDWRN-UHFFFAOYSA-N 0 0 168.240 1.143 10 0 ADAERN O=c1[nH]c(-c2ccco2)cc(=S)[nH]1 409438343 346702581 /nfs/dbraw/zinc/70/25/81/346702581.db2.gz LWKCXGCEPYJKRU-UHFFFAOYSA-N 0 0 194.215 1.731 10 0 ADAERN CCc1[nH]nc(C(F)(F)F)c1CO 409438654 346702591 /nfs/dbraw/zinc/70/25/91/346702591.db2.gz DNRBURPRAASZAL-UHFFFAOYSA-N 0 0 194.156 1.483 10 0 ADAERN Cc1[nH]nc(-c2ccoc2)c1CCO 409438334 346702610 /nfs/dbraw/zinc/70/26/10/346702610.db2.gz CUYAKKIIVOLPOZ-UHFFFAOYSA-N 0 0 192.218 1.513 10 0 ADAERN CC(C)Cn1ccn2nc(CO)cc12 409438767 346702624 /nfs/dbraw/zinc/70/26/24/346702624.db2.gz OLBKCSIMANSQPK-UHFFFAOYSA-N 0 0 193.250 1.284 10 0 ADAERN CCc1cc2nccn2[nH]1 409438443 346702646 /nfs/dbraw/zinc/70/26/46/346702646.db2.gz LIAKYIXDUSDGSJ-UHFFFAOYSA-N 0 0 135.170 1.225 10 0 ADAERN c1cc(-c2cc3[nH]ccn3n2)ccn1 409438803 346702653 /nfs/dbraw/zinc/70/26/53/346702653.db2.gz OYEIDWHNTVDRFK-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN c1cncc(-c2n[nH]c3c2CCC3)c1 409438915 346702858 /nfs/dbraw/zinc/70/28/58/346702858.db2.gz NABUMHOLTPGUPD-UHFFFAOYSA-N 0 0 185.230 1.960 10 0 ADAERN c1cc(-c2c[nH]n3ccnc23)ccn1 409438857 346702919 /nfs/dbraw/zinc/70/29/19/346702919.db2.gz PIDBYEKQICGVGK-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN OCc1cccn2c3c(nc12)CCC3 409439226 346702945 /nfs/dbraw/zinc/70/29/45/346702945.db2.gz GEQGUFDIWPHXTH-UHFFFAOYSA-N 0 0 188.230 1.315 10 0 ADAERN CCc1[nH]nc(C(C)C)c1CO 409439061 346702995 /nfs/dbraw/zinc/70/29/95/346702995.db2.gz GIIJYKKMFIELEM-UHFFFAOYSA-N 0 0 168.240 1.588 10 0 ADAERN Cc1[nH]nc(C2CC2)c1C=O 409439068 346703047 /nfs/dbraw/zinc/70/30/47/346703047.db2.gz GLELSEBLOZXHES-UHFFFAOYSA-N 0 0 150.181 1.408 10 0 ADAERN OCc1c[nH]nc1-c1ccsc1 409438816 346703064 /nfs/dbraw/zinc/70/30/64/346703064.db2.gz GCIXTJWPQNEALG-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN Cc1cc(-c2cccnc2)nn1CO 409439261 346703261 /nfs/dbraw/zinc/70/32/61/346703261.db2.gz HTRJDIXLQWPDLY-UHFFFAOYSA-N 0 0 189.218 1.203 10 0 ADAERN OCn1ccc(-c2ccsc2)n1 409439853 346703606 /nfs/dbraw/zinc/70/36/06/346703606.db2.gz JVWCKVKGFMBVCC-UHFFFAOYSA-N 0 0 180.232 1.561 10 0 ADAERN CC(C)Cn1ccn2nccc12 409439631 346703705 /nfs/dbraw/zinc/70/37/05/346703705.db2.gz PWFOYZJFDDWMLT-UHFFFAOYSA-N 0 0 163.224 1.792 10 0 ADAERN Cn1nc(-c2cccnc2)c2c1CCC2 409439701 346703722 /nfs/dbraw/zinc/70/37/22/346703722.db2.gz QGERQPXLVNMZBJ-UHFFFAOYSA-N 0 0 199.257 1.971 10 0 ADAERN Cc1[nH]nc(C2CCC2)c1C=O 409439626 346703852 /nfs/dbraw/zinc/70/38/52/346703852.db2.gz JFERHQHNSROLEP-UHFFFAOYSA-N 0 0 164.208 1.798 10 0 ADAERN c1cn2nc(C3CC3)cc2[nH]1 409439665 346703882 /nfs/dbraw/zinc/70/38/82/346703882.db2.gz QDDFZRAMMAJACE-UHFFFAOYSA-N 0 0 147.181 1.540 10 0 ADAERN OCCc1c[nH]nc1-c1ccoc1 409439835 346703944 /nfs/dbraw/zinc/70/39/44/346703944.db2.gz JSSCYQPKJVURJC-UHFFFAOYSA-N 0 0 178.191 1.205 10 0 ADAERN OCc1ccc(N2CCCC2)o1 409439736 346703966 /nfs/dbraw/zinc/70/39/66/346703966.db2.gz IBFDLHNKFCOXAA-UHFFFAOYSA-N 0 0 167.208 1.372 10 0 ADAERN c1cc2n(CC3CC3)ccn2n1 409439551 346703969 /nfs/dbraw/zinc/70/39/69/346703969.db2.gz PPNKROXEODARHG-UHFFFAOYSA-N 0 0 161.208 1.546 10 0 ADAERN Cc1cc(-c2ccsc2)nn1CO 409439462 346704026 /nfs/dbraw/zinc/70/40/26/346704026.db2.gz IBAKSNNSGCYZAF-UHFFFAOYSA-N 0 0 194.259 1.870 10 0 ADAERN Cn1ccn2nc(C3CCC3)cc12 409439645 346704028 /nfs/dbraw/zinc/70/40/28/346704028.db2.gz SVBKBYNNDZZJDU-UHFFFAOYSA-N 0 0 175.235 1.940 10 0 ADAERN Oc1cc(Cl)c2c(c1)OCCO2 409439759 346704034 /nfs/dbraw/zinc/70/40/34/346704034.db2.gz IHIHDQUGQBTVOE-UHFFFAOYSA-N 0 0 186.594 1.817 10 0 ADAERN Cn1nc(-c2ccccn2)c2c1CCC2 409439604 346704040 /nfs/dbraw/zinc/70/40/40/346704040.db2.gz PVRLORFIVJAVSG-UHFFFAOYSA-N 0 0 199.257 1.971 10 0 ADAERN c1ccc(-c2c[nH]n3ccnc23)nc1 409439992 346704299 /nfs/dbraw/zinc/70/42/99/346704299.db2.gz UXRWBWHBBZWHOT-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN OCc1c[nH]nc1C1CCCC1 409440248 346704332 /nfs/dbraw/zinc/70/43/32/346704332.db2.gz LRWDSXBRVOLCAR-UHFFFAOYSA-N 0 0 166.224 1.560 10 0 ADAERN CCc1[nH]nc(C2CCC2)c1CO 409440274 346704356 /nfs/dbraw/zinc/70/43/56/346704356.db2.gz LXMVKBKZRITBJZ-UHFFFAOYSA-N 0 0 180.251 1.732 10 0 ADAERN Cn1ccn2nc(C(C)(C)C)cc12 409440359 346704382 /nfs/dbraw/zinc/70/43/82/346704382.db2.gz SNAUUTWOFRTPED-UHFFFAOYSA-N 0 0 177.251 1.970 10 0 ADAERN NC(=O)CCc1c[nH]nc1C1CCC1 409440212 346704390 /nfs/dbraw/zinc/70/43/90/346704390.db2.gz LNCYEAJHNIEVAB-UHFFFAOYSA-N 0 0 193.250 1.095 10 0 ADAERN Cc1[nH]nc(-c2ccsc2)c1CO 409440343 346704407 /nfs/dbraw/zinc/70/44/07/346704407.db2.gz MWWUBBXXIYWXIT-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN Cc1n[nH]c(CC(C)C)c1C=O 409440301 346704488 /nfs/dbraw/zinc/70/44/88/346704488.db2.gz MDEKNADFKVLKMB-UHFFFAOYSA-N 0 0 166.224 1.729 10 0 ADAERN CCc1n[nH]c(C)c1CCC(=N)OC 409440337 346704531 /nfs/dbraw/zinc/70/45/31/346704531.db2.gz MSCLLNOFNQVVPQ-UHFFFAOYSA-N 0 0 195.266 1.837 10 0 ADAERN OCc1c(C2CC2)nn2cc[nH]c12 409440102 346704597 /nfs/dbraw/zinc/70/45/97/346704597.db2.gz VVAPCNJVEQRQDT-UHFFFAOYSA-N 0 0 177.207 1.032 10 0 ADAERN Cc1[nH]nc(C2CCCC2)c1CO 409440279 346704628 /nfs/dbraw/zinc/70/46/28/346704628.db2.gz LZTFDHSQJFMOPZ-UHFFFAOYSA-N 0 0 180.251 1.868 10 0 ADAERN CCc1[nH]nc(-c2ccoc2)c1CO 409440313 346704635 /nfs/dbraw/zinc/70/46/35/346704635.db2.gz MJDZHRQQMYWEFF-UHFFFAOYSA-N 0 0 192.218 1.724 10 0 ADAERN OCn1ccc(-c2cccs2)n1 409439936 346704672 /nfs/dbraw/zinc/70/46/72/346704672.db2.gz KYMNUXYCHXWTKJ-UHFFFAOYSA-N 0 0 180.232 1.561 10 0 ADAERN c1cncc(-c2c[nH]n3ccnc23)c1 409440085 346704729 /nfs/dbraw/zinc/70/47/29/346704729.db2.gz VRXNKPMNSCOGAF-UHFFFAOYSA-N 0 0 184.202 1.724 10 0 ADAERN OCCc1c[nH]nc1-c1ccccn1 409440347 346704757 /nfs/dbraw/zinc/70/47/57/346704757.db2.gz MYMGTNHJSQKBEW-UHFFFAOYSA-N 0 0 189.218 1.007 10 0 ADAERN CC(C)n1nc2c(c1CO)COCC2 409439989 346704765 /nfs/dbraw/zinc/70/47/65/346704765.db2.gz RCSMMCDVWJLMHP-UHFFFAOYSA-N 0 0 196.250 1.029 10 0 ADAERN CC(C)Cn1ccn2nc(C=O)cc12 409440091 346704770 /nfs/dbraw/zinc/70/47/70/346704770.db2.gz VTWRSZMCJZSSBB-UHFFFAOYSA-N 0 0 191.234 1.604 10 0 ADAERN CCc1[nH]nc(C2CC2)c1CO 409440511 346704929 /nfs/dbraw/zinc/70/49/29/346704929.db2.gz NCHGFLNDQPLAJV-UHFFFAOYSA-N 0 0 166.224 1.342 10 0 ADAERN Cc1[nH]nc(-c2ccncc2)c1CO 409440726 346704946 /nfs/dbraw/zinc/70/49/46/346704946.db2.gz OKBNIUDKCTVMOL-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN COC(=O)c1c(C2CC2)n[nH]c1C 409440650 346704960 /nfs/dbraw/zinc/70/49/60/346704960.db2.gz NSPQNBHCHQZJQU-UHFFFAOYSA-N 0 0 180.207 1.382 10 0 ADAERN Cc1[nH]nc(-c2cccnc2)c1CO 409440666 346705009 /nfs/dbraw/zinc/70/50/09/346705009.db2.gz NSUSCBVYCIUIJH-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN CCn1nc2c(c1C(=O)OC)CCC2 409440871 346705017 /nfs/dbraw/zinc/70/50/17/346705017.db2.gz VHKWWWAYVBQNPS-UHFFFAOYSA-N 0 0 194.234 1.178 10 0 ADAERN CCc1[nH]nc(C2CC2)c1CCO 409440643 346705021 /nfs/dbraw/zinc/70/50/21/346705021.db2.gz NRAZKUYOTMQSFT-UHFFFAOYSA-N 0 0 180.251 1.384 10 0 ADAERN CC(C)(C)c1cc2nccn2[nH]1 409440910 346705080 /nfs/dbraw/zinc/70/50/80/346705080.db2.gz VQKLDISWCFFXQB-UHFFFAOYSA-N 0 0 163.224 1.960 10 0 ADAERN O=C([O-])C[N@@H+]1CCC[C@@H](C(F)F)C1 409440557 346705098 /nfs/dbraw/zinc/70/50/98/346705098.db2.gz XLNMUBVOLQFARE-ZCFIWIBFSA-N 0 0 193.193 1.048 10 0 ADAERN c1cc2n(CC3CCC3)ccn2n1 409440505 346705146 /nfs/dbraw/zinc/70/51/46/346705146.db2.gz UDNUCCXCMOGZKF-UHFFFAOYSA-N 0 0 175.235 1.936 10 0 ADAERN CCn1ccn2nc(C)cc12 409440561 346705246 /nfs/dbraw/zinc/70/52/46/346705246.db2.gz UMEOOGDBPMGTHS-UHFFFAOYSA-N 0 0 149.197 1.464 10 0 ADAERN CCc1n[nH]c(C)c1CCC(=O)OC 409440601 346705270 /nfs/dbraw/zinc/70/52/70/346705270.db2.gz NMBBFYDISADUQT-UHFFFAOYSA-N 0 0 196.250 1.386 10 0 ADAERN Cc1[nH]nc(C2CCC2)c1CCO 409440730 346705282 /nfs/dbraw/zinc/70/52/82/346705282.db2.gz OLCQHKUDEJAPMD-UHFFFAOYSA-N 0 0 180.251 1.520 10 0 ADAERN CCc1[nH]nc(-c2ccco2)c1CO 409440519 346705319 /nfs/dbraw/zinc/70/53/19/346705319.db2.gz NCNNTYQPWPYANL-UHFFFAOYSA-N 0 0 192.218 1.724 10 0 ADAERN OCCc1c[nH]nc1-c1ccncc1 409440665 346705344 /nfs/dbraw/zinc/70/53/44/346705344.db2.gz NSUMAQHCRHEIMA-UHFFFAOYSA-N 0 0 189.218 1.007 10 0 ADAERN CCc1[nH]nc(C(C)C)c1CCO 409440612 346705379 /nfs/dbraw/zinc/70/53/79/346705379.db2.gz NMTZENJNNYYRMN-UHFFFAOYSA-N 0 0 182.267 1.630 10 0 ADAERN CCn1nc2c(c1CO)CCCC2 409440564 346705395 /nfs/dbraw/zinc/70/53/95/346705395.db2.gz UMKCSVCUGVWAPU-UHFFFAOYSA-N 0 0 180.251 1.274 10 0 ADAERN OCCn1cc(-c2cccs2)cn1 409440776 346705398 /nfs/dbraw/zinc/70/53/98/346705398.db2.gz UVDBMNDJSXOSDQ-UHFFFAOYSA-N 0 0 194.259 1.604 10 0 ADAERN CC(C)Cn1nc(C2CC2)cc1N 409440847 346705419 /nfs/dbraw/zinc/70/54/19/346705419.db2.gz VDNUDYDULCBTAK-UHFFFAOYSA-N 0 0 179.267 1.999 10 0 ADAERN OCCc1c[nH]nc1-c1cccs1 409440738 346705468 /nfs/dbraw/zinc/70/54/68/346705468.db2.gz OPLMWETUVZLBHT-UHFFFAOYSA-N 0 0 194.259 1.673 10 0 ADAERN FC(F)(F)c1cc2[nH]ccn2n1 409440506 346705512 /nfs/dbraw/zinc/70/55/12/346705512.db2.gz XFEMDESRAJQMLP-UHFFFAOYSA-N 0 0 175.113 1.681 10 0 ADAERN CC(C)Cn1ccn2ncc(CO)c12 409440678 346705515 /nfs/dbraw/zinc/70/55/15/346705515.db2.gz YJYSDALNSXMLNG-UHFFFAOYSA-N 0 0 193.250 1.284 10 0 ADAERN O=C([O-])C[N@@H+]1CCC[C@H](C(F)F)C1 409440555 346705530 /nfs/dbraw/zinc/70/55/30/346705530.db2.gz XLNMUBVOLQFARE-LURJTMIESA-N 0 0 193.193 1.048 10 0 ADAERN CCn1c(C(C)(C)C)cc(=O)[nH]c1=O 409440430 346705540 /nfs/dbraw/zinc/70/55/40/346705540.db2.gz WPNYPAQVBDSRRD-UHFFFAOYSA-N 0 0 196.250 1.266 10 0 ADAERN Cc1n[nH]c(C2CCOCC2)c1C=O 409441079 346705844 /nfs/dbraw/zinc/70/58/44/346705844.db2.gz QBGIUUYRDPYWLG-UHFFFAOYSA-N 0 0 194.234 1.425 10 0 ADAERN COC(=N)CCc1c[nH]nc1C 409441339 346705886 /nfs/dbraw/zinc/70/58/86/346705886.db2.gz RETNVCNWPVHDTC-UHFFFAOYSA-N 0 0 167.212 1.274 10 0 ADAERN c1ccc(-c2n[nH]c3c2CCC3)nc1 409441145 346705958 /nfs/dbraw/zinc/70/59/58/346705958.db2.gz WTJYAFNHMXQBFB-UHFFFAOYSA-N 0 0 185.230 1.960 10 0 ADAERN OCCc1c[nH]nc1C1CCC1 409441063 346706023 /nfs/dbraw/zinc/70/60/23/346706023.db2.gz PSNBWWUOWOUIAI-UHFFFAOYSA-N 0 0 166.224 1.212 10 0 ADAERN CCc1n[nH]c(C)c1C=O 409441071 346706134 /nfs/dbraw/zinc/70/61/34/346706134.db2.gz PYPBUQCRKSLKJN-UHFFFAOYSA-N 0 0 138.170 1.093 10 0 ADAERN Cn1nc(-c2ccncc2)c2c1CCC2 409441178 346706154 /nfs/dbraw/zinc/70/61/54/346706154.db2.gz XFGCMGMASUPKOR-UHFFFAOYSA-N 0 0 199.257 1.971 10 0 ADAERN COC(=N)CCc1c(C)n[nH]c1C 409441094 346706169 /nfs/dbraw/zinc/70/61/69/346706169.db2.gz QHHRXVRKIFSUKS-UHFFFAOYSA-N 0 0 181.239 1.583 10 0 ADAERN c1cc(-c2n[nH]c3c2CCC3)ccn1 409441142 346706196 /nfs/dbraw/zinc/70/61/96/346706196.db2.gz WTGKAQCDYZZRDM-UHFFFAOYSA-N 0 0 185.230 1.960 10 0 ADAERN OCCn1cc(-c2ccoc2)cn1 409441427 346706222 /nfs/dbraw/zinc/70/62/22/346706222.db2.gz XULHTHCFJNPGCR-UHFFFAOYSA-N 0 0 178.191 1.135 10 0 ADAERN OCCc1c(C2CC2)n[nH]c1C1CC1 409441354 346706228 /nfs/dbraw/zinc/70/62/28/346706228.db2.gz RFGLTFDDYZSTIZ-UHFFFAOYSA-N 0 0 192.262 1.699 10 0 ADAERN CCc1n[nH]c(CC(C)C)c1C=O 409441022 346706266 /nfs/dbraw/zinc/70/62/66/346706266.db2.gz PGSFBHDPZFPEGF-UHFFFAOYSA-N 0 0 180.251 1.983 10 0 ADAERN Cc1cc(-c2ccncc2)nn1CO 409441279 346706280 /nfs/dbraw/zinc/70/62/80/346706280.db2.gz QPFMFWQGSJKLPC-UHFFFAOYSA-N 0 0 189.218 1.203 10 0 ADAERN Cc1n[nH]c(-c2ccco2)c1C=O 409441929 346706629 /nfs/dbraw/zinc/70/66/29/346706629.db2.gz VFFFKEBAFDNBMU-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN Cc1[nH]nc(C2CCCC2)c1CCO 409441874 346706660 /nfs/dbraw/zinc/70/66/60/346706660.db2.gz UIBPQGMRUUQEIL-UHFFFAOYSA-N 0 0 194.278 1.911 10 0 ADAERN COC(=O)c1c(C2CCC2)n[nH]c1C 409441903 346706667 /nfs/dbraw/zinc/70/66/67/346706667.db2.gz URYWWKQWEWHVPK-UHFFFAOYSA-N 0 0 194.234 1.772 10 0 ADAERN Cc1cc(-c2cccs2)nn1CO 409441721 346706679 /nfs/dbraw/zinc/70/66/79/346706679.db2.gz SVRNZHUSSGTSFZ-UHFFFAOYSA-N 0 0 194.259 1.870 10 0 ADAERN Cc1[nH]nc(CC(C)C)c1CO 409441887 346706691 /nfs/dbraw/zinc/70/66/91/346706691.db2.gz UKHKZACBFAQASN-UHFFFAOYSA-N 0 0 168.240 1.409 10 0 ADAERN CCc1n[nH]c(CC)c1C(=O)OC 409441699 346706822 /nfs/dbraw/zinc/70/68/22/346706822.db2.gz SSDKWGNCMRLBJM-UHFFFAOYSA-N 0 0 182.223 1.321 10 0 ADAERN Cc1[nH]nc(C2CCC2)c1CO 409441982 346706833 /nfs/dbraw/zinc/70/68/33/346706833.db2.gz VZOTWLCVDIBBIW-UHFFFAOYSA-N 0 0 166.224 1.478 10 0 ADAERN Cc1[nH]nc(C2CC2)c1CCC(N)=O 409441984 346706868 /nfs/dbraw/zinc/70/68/68/346706868.db2.gz WAGASGYCJJKCEP-UHFFFAOYSA-N 0 0 193.250 1.013 10 0 ADAERN OCc1c(C2CC2)n[nH]c1C1CC1 409441964 346706874 /nfs/dbraw/zinc/70/68/74/346706874.db2.gz VSBNULMZPFDCOC-UHFFFAOYSA-N 0 0 178.235 1.657 10 0 ADAERN COC(=O)c1c[nH]nc1-c1ccco1 409441716 346706971 /nfs/dbraw/zinc/70/69/71/346706971.db2.gz SUEUZBUHYHZWTJ-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN CCc1[nH]nc(C(F)(F)F)c1C=O 409441922 346707041 /nfs/dbraw/zinc/70/70/41/346707041.db2.gz VCKGHGGYAVHFOQ-UHFFFAOYSA-N 0 0 192.140 1.803 10 0 ADAERN CCc1[nH]nc(C2CCC2)c1CCO 409441897 346707068 /nfs/dbraw/zinc/70/70/68/346707068.db2.gz UNDWLRQINBOPMS-UHFFFAOYSA-N 0 0 194.278 1.774 10 0 ADAERN Cc1[nH]nc(-c2ccoc2)c1CO 409442255 346707507 /nfs/dbraw/zinc/70/75/07/346707507.db2.gz YDXUCJCZETZURS-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN OCCc1c[nH]nc1-c1ccsc1 409442433 346707394 /nfs/dbraw/zinc/70/73/94/346707394.db2.gz ZXOCZYXLMIKDAX-UHFFFAOYSA-N 0 0 194.259 1.673 10 0 ADAERN CN1C(=O)[C@H](O)C[C@H]1c1cccs1 409442067 346707403 /nfs/dbraw/zinc/70/74/03/346707403.db2.gz SRHNFPBVSHEHOW-NKWVEPMBSA-N 0 0 197.259 1.012 10 0 ADAERN O=Cc1c(C2CC2)n[nH]c1C1CC1 409442115 346707434 /nfs/dbraw/zinc/70/74/34/346707434.db2.gz WRNWLMDEQFEIIZ-UHFFFAOYSA-N 0 0 176.219 1.977 10 0 ADAERN CN1C(=O)[C@H](O)C[C@@H]1c1cccs1 409442068 346707446 /nfs/dbraw/zinc/70/74/46/346707446.db2.gz SRHNFPBVSHEHOW-RNFRBKRXSA-N 0 0 197.259 1.012 10 0 ADAERN CCc1n[nH]c(CC(C)C)c1CCO 409442287 346707497 /nfs/dbraw/zinc/70/74/97/346707497.db2.gz YNSFXUAXQCTVQX-UHFFFAOYSA-N 0 0 196.294 1.705 10 0 ADAERN CCc1n[nH]cc1CCC(=N)OC 409442164 346707518 /nfs/dbraw/zinc/70/75/18/346707518.db2.gz XEAZMVTUCNDANP-UHFFFAOYSA-N 0 0 181.239 1.528 10 0 ADAERN CN1C(=O)[C@@H](O)C[C@H]1c1cccs1 409442061 346707550 /nfs/dbraw/zinc/70/75/50/346707550.db2.gz SRHNFPBVSHEHOW-BQBZGAKWSA-N 0 0 197.259 1.012 10 0 ADAERN OCCc1c[nH]nc1-c1ccco1 409442102 346707562 /nfs/dbraw/zinc/70/75/62/346707562.db2.gz WPGWAYRQTBFNKB-UHFFFAOYSA-N 0 0 178.191 1.205 10 0 ADAERN Cc1[nH]nc(-c2ccccn2)c1CO 409442155 346707585 /nfs/dbraw/zinc/70/75/85/346707585.db2.gz XBUJDLHPQCDKKC-UHFFFAOYSA-N 0 0 189.218 1.272 10 0 ADAERN Cc1[nH]nc(-c2ccoc2)c1C=O 409442103 346707669 /nfs/dbraw/zinc/70/76/69/346707669.db2.gz WPSQPPLIVJTREX-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN CCc1[nH]nc(C(C)C)c1C(=O)OC 409442405 346707672 /nfs/dbraw/zinc/70/76/72/346707672.db2.gz ZMMRHVNKHXRBPT-UHFFFAOYSA-N 0 0 196.250 1.882 10 0 ADAERN CN1C(=O)[C@@H](O)C[C@@H]1c1cccs1 409442070 346707706 /nfs/dbraw/zinc/70/77/06/346707706.db2.gz SRHNFPBVSHEHOW-RQJHMYQMSA-N 0 0 197.259 1.012 10 0 ADAERN CCc1n[nH]c(C2CC2)c1C(=O)OC 409442231 346707734 /nfs/dbraw/zinc/70/77/34/346707734.db2.gz XTVMRTOTLAMCJY-UHFFFAOYSA-N 0 0 194.234 1.636 10 0 ADAERN Cc1[nH]nc(C(C)C)c1C=O 409442286 346707760 /nfs/dbraw/zinc/70/77/60/346707760.db2.gz YNIWRJRXQRCMOX-UHFFFAOYSA-N 0 0 152.197 1.654 10 0 ADAERN OCc1c[nH]nc1-c1ccco1 409442341 346707790 /nfs/dbraw/zinc/70/77/90/346707790.db2.gz YYVHLORFXXTWRN-UHFFFAOYSA-N 0 0 164.164 1.162 10 0 ADAERN Oc1cc(Cl)c2c(c1)OCO2 409442349 346707829 /nfs/dbraw/zinc/70/78/29/346707829.db2.gz UWYVTGMSRFJFKL-UHFFFAOYSA-N 0 0 172.567 1.774 10 0 ADAERN COc1cc(O)cc2c1OCCO2 409443008 346708153 /nfs/dbraw/zinc/70/81/53/346708153.db2.gz FKZMRBZTNJGJCR-UHFFFAOYSA-N 0 0 182.175 1.172 10 0 ADAERN CCN(CC)c1ccc(CO)o1 409442717 346708247 /nfs/dbraw/zinc/70/82/47/346708247.db2.gz ZPBMMBAUZHPDBL-UHFFFAOYSA-N 0 0 169.224 1.618 10 0 ADAERN Cn1ccc(N)c2ccnc1-2 409442874 346708308 /nfs/dbraw/zinc/70/83/08/346708308.db2.gz CICFBWDEERFVJI-UHFFFAOYSA-N 0 0 147.181 1.107 10 0 ADAERN COc1cc(O)cc2c1OCCCO2 409443066 346708412 /nfs/dbraw/zinc/70/84/12/346708412.db2.gz GJRFXSAZYUAJBR-UHFFFAOYSA-N 0 0 196.202 1.562 10 0 ADAERN CCc1cc(C(F)(F)F)nn1CO 409443272 346708425 /nfs/dbraw/zinc/70/84/25/346708425.db2.gz KEDLQCGOLADZBN-UHFFFAOYSA-N 0 0 194.156 1.414 10 0 ADAERN COC(=N)c1cc(C(F)(F)F)[nH]n1 409442781 346708435 /nfs/dbraw/zinc/70/84/35/346708435.db2.gz AIJOHDDRSCSZDM-UHFFFAOYSA-N 0 0 193.128 1.400 10 0 ADAERN OCCCn1cccc2ccnc1-2 409443131 346708521 /nfs/dbraw/zinc/70/85/21/346708521.db2.gz HNACWOJYHLEWCW-UHFFFAOYSA-N 0 0 176.219 1.370 10 0 ADAERN c1cnc2c3c(ccc2c1)CNCO3 409443250 346708568 /nfs/dbraw/zinc/70/85/68/346708568.db2.gz JVCHMNFXPKDMLW-UHFFFAOYSA-N 0 0 186.214 1.674 10 0 ADAERN c1cnc2ccc3c(c2c1)CNCO3 409443329 346708796 /nfs/dbraw/zinc/70/87/96/346708796.db2.gz LHBXOLVRQDZCSP-UHFFFAOYSA-N 0 0 186.214 1.674 10 0 ADAERN COc1c(O)cnc(F)c1Cl 498036341 346708851 /nfs/dbraw/zinc/70/88/51/346708851.db2.gz BBIXMWZLGFCJEQ-UHFFFAOYSA-N 0 0 177.562 1.588 10 0 ADAERN OCc1scnc1C(F)F 498036361 346708864 /nfs/dbraw/zinc/70/88/64/346708864.db2.gz CLLAZHGJJZUZPE-UHFFFAOYSA-N 0 0 165.164 1.573 10 0 ADAERN Cn1ccc2c(=S)cc[nH]c21 409443315 346708914 /nfs/dbraw/zinc/70/89/14/346708914.db2.gz LCEKUTIKCBBCEX-UHFFFAOYSA-N 0 0 164.233 1.862 10 0 ADAERN Cc1nn(C2CC2)c(N)c1C 498035879 346708929 /nfs/dbraw/zinc/70/89/29/346708929.db2.gz RHRMQIKWWBUGKT-UHFFFAOYSA-N 0 0 151.213 1.417 10 0 ADAERN CCCn1cnc2ncnc(Cl)c21 498036353 346709007 /nfs/dbraw/zinc/70/90/07/346709007.db2.gz BRGATYHGVFSOLM-UHFFFAOYSA-N 0 0 196.641 1.890 10 0 ADAERN Cn1nc(-c2ccsc2)cc1C=O 409443874 346709010 /nfs/dbraw/zinc/70/90/10/346709010.db2.gz VVPRUBUHQGUHTC-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN COc1ncnc2cc3n(c12)CCC3 498035871 346709028 /nfs/dbraw/zinc/70/90/28/346709028.db2.gz QJKGKHLHBIPBRX-UHFFFAOYSA-N 0 0 189.218 1.386 10 0 ADAERN Cn1ccc(=O)c2cc[nH]c21 409444033 346709055 /nfs/dbraw/zinc/70/90/55/346709055.db2.gz ZCQRXWYDPBBDGG-UHFFFAOYSA-N 0 0 148.165 1.231 10 0 ADAERN FC1(F)CNCC(F)(F)S1 409443929 346709065 /nfs/dbraw/zinc/70/90/65/346709065.db2.gz WUTZKCXEHZMPSU-UHFFFAOYSA-N 0 0 175.150 1.508 10 0 ADAERN NC(=[NH2+])c1cc(-c2ccsc2)n[n-]1 409443976 346709112 /nfs/dbraw/zinc/70/91/12/346709112.db2.gz XSHXQWSLGNQLMW-UHFFFAOYSA-N 0 0 192.247 1.422 10 0 ADAERN NC(=O)c1cc(-c2ccsc2)n[nH]1 409443608 346709153 /nfs/dbraw/zinc/70/91/53/346709153.db2.gz QJEYSQQWECLKTQ-UHFFFAOYSA-N 0 0 193.231 1.237 10 0 ADAERN O=C1OCc2cc3c(cc21)CCC3 498035848 346709170 /nfs/dbraw/zinc/70/91/70/346709170.db2.gz LFLQGZZAGGAISU-UHFFFAOYSA-N 0 0 174.199 1.846 10 0 ADAERN COc1cccc([C@H]2C[C@H](O)C2)c1 498036586 346709424 /nfs/dbraw/zinc/70/94/24/346709424.db2.gz MWTIVCDPOFQBMB-MGCOHNPYSA-N 0 0 178.231 1.934 10 0 ADAERN COc1c(C=O)cnc(F)c1OC 498036581 346709442 /nfs/dbraw/zinc/70/94/42/346709442.db2.gz MPCMPJGBHIAHPP-UHFFFAOYSA-N 0 0 185.154 1.050 10 0 ADAERN COc1cc2c(cn1)[C@H](O)CCC2 498036583 346709453 /nfs/dbraw/zinc/70/94/53/346709453.db2.gz MTTMSBHOBBPAJY-SECBINFHSA-N 0 0 179.219 1.460 10 0 ADAERN Cc1[nH]c2c(=O)[nH]ccc2c1C 498036551 346709458 /nfs/dbraw/zinc/70/94/58/346709458.db2.gz PHWMIQYYOZSMTB-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN COc1cc2c(cn1)[C@@H](O)CCC2 498036584 346709484 /nfs/dbraw/zinc/70/94/84/346709484.db2.gz MTTMSBHOBBPAJY-VIFPVBQESA-N 0 0 179.219 1.460 10 0 ADAERN COc1c(C=O)cnc(F)c1Cl 498036594 346709488 /nfs/dbraw/zinc/70/94/88/346709488.db2.gz OBJWZIPEAKSWIR-UHFFFAOYSA-N 0 0 189.573 1.695 10 0 ADAERN Cc1ccc(N=S(C)(C)=O)nc1 536951657 346711742 /nfs/dbraw/zinc/71/17/42/346711742.db2.gz UKDIHASHOUGVAG-UHFFFAOYSA-N 0 0 184.264 1.749 10 0 ADAERN CS(C)(=O)=Nc1ccccn1 536951205 346711808 /nfs/dbraw/zinc/71/18/08/346711808.db2.gz NXYZDGSXKMHMIU-UHFFFAOYSA-N 0 0 170.237 1.441 10 0 ADAERN Cc1cccnc1N=S(C)(C)=O 536951250 346711853 /nfs/dbraw/zinc/71/18/53/346711853.db2.gz ORMHRBZBKAKXEJ-UHFFFAOYSA-N 0 0 184.264 1.749 10 0 ADAERN CS(C)(=O)=Nc1ccnc(F)c1 536951573 346711873 /nfs/dbraw/zinc/71/18/73/346711873.db2.gz SRTKYTRFYXJVGE-UHFFFAOYSA-N 0 0 188.227 1.580 10 0 ADAERN CC[S@](C)(=O)=Nc1ccccn1 536951871 346712210 /nfs/dbraw/zinc/71/22/10/346712210.db2.gz YOWJUZJMNPFSSA-LBPRGKRZSA-N 0 0 184.264 1.831 10 0 ADAERN Cc1cccc(N=S(C)(C)=O)n1 536951765 346712337 /nfs/dbraw/zinc/71/23/37/346712337.db2.gz VWEFWZVRBFULKQ-UHFFFAOYSA-N 0 0 184.264 1.749 10 0 ADAERN CC[S@](C)(=O)=Nc1ccnn1C 536951918 346712363 /nfs/dbraw/zinc/71/23/63/346712363.db2.gz ZUNCPSDHSUYMQS-LBPRGKRZSA-N 0 0 187.268 1.169 10 0 ADAERN CC[S@@](C)(=O)=Nc1ccccn1 536951868 346712393 /nfs/dbraw/zinc/71/23/93/346712393.db2.gz YOWJUZJMNPFSSA-GFCCVEGCSA-N 0 0 184.264 1.831 10 0 ADAERN CC[S@@](C)(=O)=Nc1cn[nH]c1 536951748 346712425 /nfs/dbraw/zinc/71/24/25/346712425.db2.gz VFWNACDJIWEYKE-LLVKDONJSA-N 0 0 173.241 1.159 10 0 ADAERN CC[S@](C)(=O)=Nc1cn[nH]c1 536951749 346712466 /nfs/dbraw/zinc/71/24/66/346712466.db2.gz VFWNACDJIWEYKE-NSHDSACASA-N 0 0 173.241 1.159 10 0 ADAERN CC[S@@](C)(=O)=Nc1ccnn1C 536951916 346712505 /nfs/dbraw/zinc/71/25/05/346712505.db2.gz ZUNCPSDHSUYMQS-GFCCVEGCSA-N 0 0 187.268 1.169 10 0 ADAERN Cc1cccc(F)n1 575154760 346713418 /nfs/dbraw/zinc/71/34/18/346713418.db2.gz BXMRHZLPPHMHJH-UHFFFAOYSA-N 0 0 111.119 1.459 10 0 ADAERN Fc1ccncc1 575154773 346713430 /nfs/dbraw/zinc/71/34/30/346713430.db2.gz IHWZGDZMCXCRBM-UHFFFAOYSA-N 0 0 96.084 1.241 10 0 ADAERN COc1cccc(C[NH+](C)C)c1 575154761 346713481 /nfs/dbraw/zinc/71/34/81/346713481.db2.gz CALVMWDFWUOWCB-UHFFFAOYSA-N 0 0 164.228 1.378 10 0 ADAERN c1ccc(C2OCCO2)cc1 575154775 346713630 /nfs/dbraw/zinc/71/36/30/346713630.db2.gz IOWYTYAYYKAVSV-UHFFFAOYSA-N 0 0 149.169 1.215 10 0 ADAERN c1ccc2ncccc2c1 575154765 346713690 /nfs/dbraw/zinc/71/36/90/346713690.db2.gz DRMGAENLTSWFPV-UHFFFAOYSA-N 0 0 129.162 1.639 10 0 ADAERN c1ccc2nccnc2c1 575154899 346713971 /nfs/dbraw/zinc/71/39/71/346713971.db2.gz XXDIOUZVYHRLKZ-UHFFFAOYSA-N 0 0 130.150 1.111 10 0 ADAERN Cc1cccnc1 575154812 346713977 /nfs/dbraw/zinc/71/39/77/346713977.db2.gz OKVUWJMSWDHQLP-UHFFFAOYSA-N 0 0 93.129 1.162 10 0 ADAERN COCc1ccccc1 575154815 346713982 /nfs/dbraw/zinc/71/39/82/346713982.db2.gz POQZVPDMXRQMRB-UHFFFAOYSA-N 0 0 121.159 1.488 10 0 ADAERN c1ccc2c(c1)OCCCO2 575154886 346713986 /nfs/dbraw/zinc/71/39/86/346713986.db2.gz WYDDFDPWUZALFQ-UHFFFAOYSA-N 0 0 149.169 1.564 10 0 ADAERN Cc1ccnc(C)c1 575154824 346714011 /nfs/dbraw/zinc/71/40/11/346714011.db2.gz QUUROKAEUUVMBV-UHFFFAOYSA-N 0 0 106.148 1.724 10 0 ADAERN CCOc1ccccn1 575154804 346714037 /nfs/dbraw/zinc/71/40/37/346714037.db2.gz LNLJJMYJKJCTGQ-UHFFFAOYSA-N 0 0 123.155 1.136 10 0 ADAERN c1ccc(-c2ccno2)cc1 575154883 346714090 /nfs/dbraw/zinc/71/40/90/346714090.db2.gz VWUUEQJFYCEYSX-UHFFFAOYSA-N 0 0 144.153 1.987 10 0 ADAERN COC(OC)c1ccccc1 575154866 346714118 /nfs/dbraw/zinc/71/41/18/346714118.db2.gz TWJVXRIGQTWVBI-UHFFFAOYSA-N 0 0 151.185 1.461 10 0 ADAERN CC1(c2ccccc2)OCCO1 575154805 346714134 /nfs/dbraw/zinc/71/41/34/346714134.db2.gz MDNANFLUVAIRBM-UHFFFAOYSA-N 0 0 163.196 1.605 10 0 ADAERN c1ccc2c(c1)CCO2 575154894 346714146 /nfs/dbraw/zinc/71/41/46/346714146.db2.gz XABYTWDYBPJWCM-UHFFFAOYSA-N 0 0 119.143 1.590 10 0 ADAERN COc1cccc(F)c1 575154858 346714149 /nfs/dbraw/zinc/71/41/49/346714149.db2.gz SVUNWSAMVVLOKY-UHFFFAOYSA-N 0 0 125.122 1.743 10 0 ADAERN Brc1ccncc1 575154917 346714158 /nfs/dbraw/zinc/71/41/58/346714158.db2.gz YGFPINNLRYXQKU-UHFFFAOYSA-N 0 0 156.990 1.666 10 0 ADAERN c1ccc(Cn2ccnc2)cc1 575154929 346714173 /nfs/dbraw/zinc/71/41/73/346714173.db2.gz QPQGTLWAQCICEN-UHFFFAOYSA-N 0 0 157.196 1.739 10 0 ADAERN COc1cc(C)ccn1 575154868 346714208 /nfs/dbraw/zinc/71/42/08/346714208.db2.gz TYPBPCQOYHOEIM-UHFFFAOYSA-N 0 0 123.155 1.136 10 0 ADAERN c1ccc(-n2ccnc2)cc1 575154839 346714213 /nfs/dbraw/zinc/71/42/13/346714213.db2.gz RMXKVPOOSADIKE-UHFFFAOYSA-N 0 0 143.169 1.653 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](N)C(F)(F)F 575166125 346714627 /nfs/dbraw/zinc/71/46/27/346714627.db2.gz VDSMPQYZPVOCMQ-MROZADKFSA-N 0 0 153.147 1.532 10 0 ADAERN CN[C@H]([C@H]1C[C@H]1C)C(F)(F)F 575166123 346714664 /nfs/dbraw/zinc/71/46/64/346714664.db2.gz FBYRAUIYINXWBH-NGJCXOISSA-N 0 0 167.174 1.793 10 0 ADAERN CN[C@H]([C@@H]1C[C@H]1C)C(F)(F)F 575166121 346714693 /nfs/dbraw/zinc/71/46/93/346714693.db2.gz FBYRAUIYINXWBH-HSUXUTPPSA-N 0 0 167.174 1.793 10 0 ADAERN CN[C@H]([C@@H]1C[C@@H]1C)C(F)(F)F 575166122 346714703 /nfs/dbraw/zinc/71/47/03/346714703.db2.gz FBYRAUIYINXWBH-KVQBGUIXSA-N 0 0 167.174 1.793 10 0 ADAERN CCCc1cc(C(=O)OCC)ncn1 575622523 346716442 /nfs/dbraw/zinc/71/64/42/346716442.db2.gz NFVLHEMHCCLHGA-UHFFFAOYSA-N 0 0 194.234 1.606 10 0 ADAERN CN[C@H]([C@H]1C[C@@H]1C)C(F)(F)F 575166115 346714838 /nfs/dbraw/zinc/71/48/38/346714838.db2.gz FBYRAUIYINXWBH-HCWXCVPCSA-N 0 0 167.174 1.793 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](N)C(F)(F)F 575166127 346714865 /nfs/dbraw/zinc/71/48/65/346714865.db2.gz VDSMPQYZPVOCMQ-UOWFLXDJSA-N 0 0 153.147 1.532 10 0 ADAERN Clc1ccncc1 575171523 346715297 /nfs/dbraw/zinc/71/52/97/346715297.db2.gz FVOIKWQIGUDXKM-UHFFFAOYSA-N 0 0 113.547 1.339 10 0 ADAERN Clc1cccnc1 575171524 346715445 /nfs/dbraw/zinc/71/54/45/346715445.db2.gz PHGKGTNYDVGMMZ-UHFFFAOYSA-N 0 0 112.539 1.510 10 0 ADAERN c1ccc2cnccc2c1 575171507 346715448 /nfs/dbraw/zinc/71/54/48/346715448.db2.gz FMYDJYVHAWFXDI-UHFFFAOYSA-N 0 0 128.154 1.893 10 0 ADAERN CCCCc1cc(=O)n(CC)c(=O)[nH]1 575622817 346716982 /nfs/dbraw/zinc/71/69/82/346716982.db2.gz UOUFIJRMIFZPRX-UHFFFAOYSA-N 0 0 196.250 1.311 10 0 ADAERN Cn1c(=O)cc(CC(C)(C)C)[nH]c1=O 575621910 346715847 /nfs/dbraw/zinc/71/58/47/346715847.db2.gz FIQNEHNVDWWZAH-UHFFFAOYSA-N 0 0 196.250 1.075 10 0 ADAERN CC(C)[C@@](C)(O)C[C@H]1CO1 575534849 346715857 /nfs/dbraw/zinc/71/58/57/346715857.db2.gz NRPJLTUDWKIWES-YUMQZZPRSA-N 0 0 144.214 1.182 10 0 ADAERN CCCc1cc(C(=O)OC)ncn1 575622135 346715867 /nfs/dbraw/zinc/71/58/67/346715867.db2.gz GYCCZILAJUSTNP-UHFFFAOYSA-N 0 0 180.207 1.216 10 0 ADAERN CC[C@H](C)c1cc(=O)n(CC)c(=O)[nH]1 575621943 346715874 /nfs/dbraw/zinc/71/58/74/346715874.db2.gz AYTVUKBOELBPNS-ZETCQYMHSA-N 0 0 196.250 1.482 10 0 ADAERN CC(C)[C@](C)(O)C[C@@H]1CO1 575534835 346715919 /nfs/dbraw/zinc/71/59/19/346715919.db2.gz NRPJLTUDWKIWES-HTQZYQBOSA-N 0 0 144.214 1.182 10 0 ADAERN CC(C)[C@](C)(O)C[C@H]1CO1 575534845 346715925 /nfs/dbraw/zinc/71/59/25/346715925.db2.gz NRPJLTUDWKIWES-JGVFFNPUSA-N 0 0 144.214 1.182 10 0 ADAERN CC(C)[C@@](C)(O)C[C@@H]1CO1 575534848 346715934 /nfs/dbraw/zinc/71/59/34/346715934.db2.gz NRPJLTUDWKIWES-SFYZADRCSA-N 0 0 144.214 1.182 10 0 ADAERN CCC(CC)c1cc(=O)n(C)c(=O)[nH]1 575622041 346715999 /nfs/dbraw/zinc/71/59/99/346715999.db2.gz JDEOXGFJHVTDAN-UHFFFAOYSA-N 0 0 196.250 1.390 10 0 ADAERN C[C@@](O)(C[C@@H]1CO1)C1CCC1 575533469 346716052 /nfs/dbraw/zinc/71/60/52/346716052.db2.gz BTQIBERGUTYDHF-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@](O)(C[C@@H]1CO1)C1CCC1 575533454 346716022 /nfs/dbraw/zinc/71/60/22/346716022.db2.gz BTQIBERGUTYDHF-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@](O)(C[C@H]1CO1)C1CCC1 575533462 346716029 /nfs/dbraw/zinc/71/60/29/346716029.db2.gz BTQIBERGUTYDHF-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN Cn1c(=O)cc(C2CCCC2)[nH]c1=O 575622256 346716041 /nfs/dbraw/zinc/71/60/41/346716041.db2.gz MMYMWJYNOHAJCX-UHFFFAOYSA-N 0 0 194.234 1.144 10 0 ADAERN CC(C)(C)[C@@](C)(O)C[C@@H]1CO1 575534732 346716057 /nfs/dbraw/zinc/71/60/57/346716057.db2.gz MTLGPDHRHUTWHB-APPZFPTMSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)(C)[C@@](C)(O)C[C@H]1CO1 575534733 346716064 /nfs/dbraw/zinc/71/60/64/346716064.db2.gz MTLGPDHRHUTWHB-CBAPKCEASA-N 0 0 158.241 1.572 10 0 ADAERN C[C@](O)(C[C@H]1CO1)C1CCC1 575533464 346716073 /nfs/dbraw/zinc/71/60/73/346716073.db2.gz BTQIBERGUTYDHF-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN CCc1cc(=O)n(C(C)C)c(=O)[nH]1 575622333 346716087 /nfs/dbraw/zinc/71/60/87/346716087.db2.gz ISRKZLXJEZWTDX-UHFFFAOYSA-N 0 0 182.223 1.092 10 0 ADAERN CC(C)(C)[C@](C)(O)C[C@H]1CO1 575534735 346716098 /nfs/dbraw/zinc/71/60/98/346716098.db2.gz MTLGPDHRHUTWHB-IONNQARKSA-N 0 0 158.241 1.572 10 0 ADAERN O=c1cc(C2CC2)[nH]c(=O)n1C1CC1 575621813 346716111 /nfs/dbraw/zinc/71/61/11/346716111.db2.gz AYTUNVOYRVNQAF-UHFFFAOYSA-N 0 0 192.218 1.161 10 0 ADAERN Nc1ccc2c(c1Cl)C(=O)NCC2 575601189 346716116 /nfs/dbraw/zinc/71/61/16/346716116.db2.gz NDRWHUMADXVNMN-UHFFFAOYSA-N 0 0 196.637 1.208 10 0 ADAERN Nc1cc(-c2ccsc2)n[nH]c1=O 575621958 346716123 /nfs/dbraw/zinc/71/61/23/346716123.db2.gz BEDFGKAOVBDGHA-UHFFFAOYSA-N 0 0 193.231 1.493 10 0 ADAERN CCCc1cc(C(=O)OC)nc(C)n1 575621974 346716138 /nfs/dbraw/zinc/71/61/38/346716138.db2.gz BUNYMKUUOCPOOS-UHFFFAOYSA-N 0 0 194.234 1.524 10 0 ADAERN CCCc1cc(=O)n(C2CC2)c(=O)[nH]1 575621980 346716161 /nfs/dbraw/zinc/71/61/61/346716161.db2.gz HIZDVXUMYDHPKD-UHFFFAOYSA-N 0 0 194.234 1.236 10 0 ADAERN CC[C@@H](C)c1cc(=O)n(CC)c(=O)[nH]1 575621942 346716163 /nfs/dbraw/zinc/71/61/63/346716163.db2.gz AYTVUKBOELBPNS-SSDOTTSWSA-N 0 0 196.250 1.482 10 0 ADAERN CC(C)c1cc(=O)n(C2CC2)c(=O)[nH]1 575622258 346716198 /nfs/dbraw/zinc/71/61/98/346716198.db2.gz MWVYDPBUZNDOAT-UHFFFAOYSA-N 0 0 194.234 1.407 10 0 ADAERN COC(=O)c1cc(C)nc(C2CC2)n1 575622297 346716212 /nfs/dbraw/zinc/71/62/12/346716212.db2.gz HKRJYFZNNPFOAN-UHFFFAOYSA-N 0 0 192.218 1.449 10 0 ADAERN CCCc1cc(=O)n(C(C)C)c(=O)[nH]1 575622103 346716228 /nfs/dbraw/zinc/71/62/28/346716228.db2.gz FDCYTHXZHOXBFF-UHFFFAOYSA-N 0 0 196.250 1.482 10 0 ADAERN CC(C)(C)[C@](C)(O)C[C@@H]1CO1 575534737 346716232 /nfs/dbraw/zinc/71/62/32/346716232.db2.gz MTLGPDHRHUTWHB-VXNVDRBHSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)CCC(F)(C[NH3+])C[NH3+] 575623163 346716460 /nfs/dbraw/zinc/71/64/60/346716460.db2.gz KFPFDFCGHYUNGJ-UHFFFAOYSA-N 0 0 162.252 1.048 10 0 ADAERN CCn1c(=O)cc(C(C)(C)C)[nH]c1=O 575622714 346716481 /nfs/dbraw/zinc/71/64/81/346716481.db2.gz RCIIWZUURKKTDZ-UHFFFAOYSA-N 0 0 196.250 1.266 10 0 ADAERN COC(=O)c1cc(C(F)F)ncn1 575622673 346716506 /nfs/dbraw/zinc/71/65/06/346716506.db2.gz PEMNEIWXRWOKIC-UHFFFAOYSA-N 0 0 188.133 1.201 10 0 ADAERN COC(=O)c1cc(C(C)C)nc(C)n1 575622675 346716648 /nfs/dbraw/zinc/71/66/48/346716648.db2.gz PPYATUCLVLAFQN-UHFFFAOYSA-N 0 0 194.234 1.695 10 0 ADAERN COC(=O)c1cc(CC2CC2)ncn1 575622365 346716762 /nfs/dbraw/zinc/71/67/62/346716762.db2.gz JRFIKPZNWHOSCH-UHFFFAOYSA-N 0 0 192.218 1.216 10 0 ADAERN CCn1c(=O)cc(C2CCC2)[nH]c1=O 575622557 346716868 /nfs/dbraw/zinc/71/68/68/346716868.db2.gz WNKFGEYIXFIYJA-UHFFFAOYSA-N 0 0 194.234 1.236 10 0 ADAERN CCc1cc(=O)n(C(C)(C)C)c(=O)[nH]1 575622525 346716909 /nfs/dbraw/zinc/71/69/09/346716909.db2.gz NGGJKYGLEHSFPM-UHFFFAOYSA-N 0 0 196.250 1.266 10 0 ADAERN CC(C)n1c(=O)cc(C2CC2)[nH]c1=O 575622853 346716912 /nfs/dbraw/zinc/71/69/12/346716912.db2.gz WQDVYPLCTBKTIB-UHFFFAOYSA-N 0 0 194.234 1.407 10 0 ADAERN COC(=O)c1cc(C2CC2)nc(C)n1 575622670 346716920 /nfs/dbraw/zinc/71/69/20/346716920.db2.gz OQWKBOVUPBKMAZ-UHFFFAOYSA-N 0 0 192.218 1.449 10 0 ADAERN CCn1c(=O)cc(CC(C)C)[nH]c1=O 575622851 346716942 /nfs/dbraw/zinc/71/69/42/346716942.db2.gz WPOJLWRLRPWTJZ-UHFFFAOYSA-N 0 0 196.250 1.167 10 0 ADAERN CC[C@@H](C)c1cc(C(=O)OC)ncn1 575622684 346716979 /nfs/dbraw/zinc/71/69/79/346716979.db2.gz PUVBSSYBHFDLJD-SSDOTTSWSA-N 0 0 194.234 1.777 10 0 ADAERN CCCCc1cc(C(=O)OC)ncn1 575622656 346717009 /nfs/dbraw/zinc/71/70/09/346717009.db2.gz OCGYCIXPVUQPON-UHFFFAOYSA-N 0 0 194.234 1.606 10 0 ADAERN CC[C@H](C)c1cc(C(=O)OC)ncn1 575622685 346717016 /nfs/dbraw/zinc/71/70/16/346717016.db2.gz PUVBSSYBHFDLJD-ZETCQYMHSA-N 0 0 194.234 1.777 10 0 ADAERN Cc1noc(C)c1CC1(F)CNC1 575623409 346718374 /nfs/dbraw/zinc/71/83/74/346718374.db2.gz PNTFXXGUGFBVDV-UHFFFAOYSA-N 0 0 184.214 1.145 10 0 ADAERN CC(=O)N[C@H](C)c1ccc(N)c(O)c1 584591167 346718748 /nfs/dbraw/zinc/71/87/48/346718748.db2.gz XBARSMRTLJXAFT-ZCFIWIBFSA-N 0 0 194.234 1.172 10 0 ADAERN CC(=O)N(C)Cc1cccc(Cl)n1 584590998 346718714 /nfs/dbraw/zinc/71/87/14/346718714.db2.gz IETQWKICKNKHJE-UHFFFAOYSA-N 0 0 198.653 1.713 10 0 ADAERN C[C@@H]1CCC(=O)[C@]2(CCC(=O)O2)C1 584590650 346718743 /nfs/dbraw/zinc/71/87/43/346718743.db2.gz JXJLOMURSFMMRN-XCBNKYQSSA-N 0 0 182.219 1.451 10 0 ADAERN CC(=O)N[C@@H](C)c1ccc(N)c(O)c1 584591165 346718766 /nfs/dbraw/zinc/71/87/66/346718766.db2.gz XBARSMRTLJXAFT-LURJTMIESA-N 0 0 194.234 1.172 10 0 ADAERN C[C@H]1CCC(=O)[C@@]2(CCC(=O)O2)C1 584590649 346718775 /nfs/dbraw/zinc/71/87/75/346718775.db2.gz JXJLOMURSFMMRN-OIBJUYFYSA-N 0 0 182.219 1.451 10 0 ADAERN CC(=O)N(C)Cc1ccnc(Cl)c1 584591114 346718795 /nfs/dbraw/zinc/71/87/95/346718795.db2.gz SAJRLPRHANRCIL-UHFFFAOYSA-N 0 0 198.653 1.713 10 0 ADAERN C[C@H]1CCC(=O)[C@]2(CCC(=O)O2)C1 584590651 346718826 /nfs/dbraw/zinc/71/88/26/346718826.db2.gz JXJLOMURSFMMRN-XVKPBYJWSA-N 0 0 182.219 1.451 10 0 ADAERN C[C@H]1[C@@H]2C(=O)CC[C@@H]2[C@@H]2CCC(=O)[C@H]12 584591465 346718842 /nfs/dbraw/zinc/71/88/42/346718842.db2.gz FZLNCVOPJSCOHU-ACWLZWGYSA-N 0 0 192.258 1.827 10 0 ADAERN C[C@@H]1[C@@H]2C(=O)CC[C@H]2[C@H]2CCC(=O)[C@@H]12 584591468 346718847 /nfs/dbraw/zinc/71/88/47/346718847.db2.gz FZLNCVOPJSCOHU-NQWYJUDZSA-N 0 0 192.258 1.827 10 0 ADAERN CC(=O)OC1=NCCCCC1 584591202 346718876 /nfs/dbraw/zinc/71/88/76/346718876.db2.gz QIBDRUARGGACDG-UHFFFAOYSA-N 0 0 155.197 1.522 10 0 ADAERN Cc1cc(O)cc2c1nc1ncccn12 584590658 346718901 /nfs/dbraw/zinc/71/89/01/346718901.db2.gz LEWUPTUDTYIADM-UHFFFAOYSA-N 0 0 199.213 1.897 10 0 ADAERN CC(=O)Nc1cc(Cl)ncc1F 584590887 346718905 /nfs/dbraw/zinc/71/89/05/346718905.db2.gz KYOQDZPOPTUAMX-UHFFFAOYSA-N 0 0 188.589 1.833 10 0 ADAERN CC1[C@@H]2C(=O)CC[C@@H]2[C@H]2CCC(=O)[C@@H]12 584591466 346718919 /nfs/dbraw/zinc/71/89/19/346718919.db2.gz FZLNCVOPJSCOHU-FUAUIPCOSA-N 0 0 192.258 1.827 10 0 ADAERN C[C@@H]1CCC(=O)[C@@]2(CCC(=O)O2)C1 584590646 346718922 /nfs/dbraw/zinc/71/89/22/346718922.db2.gz JXJLOMURSFMMRN-GMSGAONNSA-N 0 0 182.219 1.451 10 0 ADAERN C[C@H]1[C@@H]2C(=O)CC[C@@H]2[C@H]2CCC(=O)[C@H]12 584591467 346718934 /nfs/dbraw/zinc/71/89/34/346718934.db2.gz FZLNCVOPJSCOHU-GANOUAKVSA-N 0 0 192.258 1.827 10 0 ADAERN CC(C)(O)Cc1ccc(N)c(F)c1 584594949 346719156 /nfs/dbraw/zinc/71/91/56/346719156.db2.gz KVCHQZPVKXEJBD-UHFFFAOYSA-N 0 0 183.226 1.721 10 0 ADAERN Oc1ccc2nc3ncccn3c2c1 584596849 346719374 /nfs/dbraw/zinc/71/93/74/346719374.db2.gz KRCZCIKFIFNJJK-UHFFFAOYSA-N 0 0 185.186 1.588 10 0 ADAERN C=Cc1ccc(C(=O)NC)c(F)c1 584592133 346719538 /nfs/dbraw/zinc/71/95/38/346719538.db2.gz QMCMZXVHZUDGTM-UHFFFAOYSA-N 0 0 179.194 1.828 10 0 ADAERN C=Cc1cc(N)ccc1C(=O)OC 584598526 346719566 /nfs/dbraw/zinc/71/95/66/346719566.db2.gz TVKCKLJMAMVOHR-UHFFFAOYSA-N 0 0 177.203 1.698 10 0 ADAERN CCOC(=O)[C@@H]1[C@H]2CC/C(=C\OC)[C@H]21 584599858 346719679 /nfs/dbraw/zinc/71/96/79/346719679.db2.gz TYBJUJJAJIOPST-NQQXYCFQSA-N 0 0 196.246 1.736 10 0 ADAERN C[C@H]1Cc2c(N)cccc21 584599830 346719690 /nfs/dbraw/zinc/71/96/90/346719690.db2.gz RJBWLJBIDFATGN-LURJTMIESA-N 0 0 133.194 1.928 10 0 ADAERN CCOC(=O)[C@H]1[C@H]2/C(=C/OC)CC[C@H]21 584599859 346719720 /nfs/dbraw/zinc/71/97/20/346719720.db2.gz TYBJUJJAJIOPST-NUYHVZMKSA-N 0 0 196.246 1.736 10 0 ADAERN COC(=O)C1CC(C(C)(C)OC)C1 584600172 346719732 /nfs/dbraw/zinc/71/97/32/346719732.db2.gz AFOVLOCAKDYJIL-UHFFFAOYSA-N 0 0 186.251 1.611 10 0 ADAERN C[C@@H]1Cc2c(N)cccc21 584599831 346719734 /nfs/dbraw/zinc/71/97/34/346719734.db2.gz RJBWLJBIDFATGN-ZCFIWIBFSA-N 0 0 133.194 1.928 10 0 ADAERN NN=c1cc2ccccccc-2c1 584599908 346719868 /nfs/dbraw/zinc/71/98/68/346719868.db2.gz YHHDSARHTVKGMA-UHFFFAOYSA-N 0 0 170.215 1.566 10 0 ADAERN COC(=O)Nc1ccnc(Cl)c1 584600912 346720395 /nfs/dbraw/zinc/72/03/95/346720395.db2.gz QPSDUJPILSMFRA-UHFFFAOYSA-N 0 0 186.598 1.913 10 0 ADAERN CCCCOC(=O)[C@H]1C=C(COC)C1 584600474 346720309 /nfs/dbraw/zinc/72/03/09/346720309.db2.gz FWADFTSHVAZZFJ-JTQLQIEISA-N 0 0 198.262 1.922 10 0 ADAERN CCCCOC(=O)[C@@H]1C=C(COC)C1 584600475 346720363 /nfs/dbraw/zinc/72/03/63/346720363.db2.gz FWADFTSHVAZZFJ-SNVBAGLBSA-N 0 0 198.262 1.922 10 0 ADAERN COC(=O)C1CC(CSC)C1 584600500 346720385 /nfs/dbraw/zinc/72/03/85/346720385.db2.gz OBJMUQUKNYXMNQ-UHFFFAOYSA-N 0 0 174.265 1.549 10 0 ADAERN COC(=O)C1CCC(OC2CC2)CC1 584600607 346720478 /nfs/dbraw/zinc/72/04/78/346720478.db2.gz QKYOVPFQDRRYFI-UHFFFAOYSA-N 0 0 198.262 1.897 10 0 ADAERN Nc1cnc([C@H]2CC[C@@H](O)CC2)cn1 584601484 346721025 /nfs/dbraw/zinc/72/10/25/346721025.db2.gz TUTXYJNRRNMEJO-OCAPTIKFSA-N 0 0 193.250 1.077 10 0 ADAERN Nc1cnc(C2CCC(=O)CC2)cn1 584601505 346721052 /nfs/dbraw/zinc/72/10/52/346721052.db2.gz YYUXCLBCYQNYLB-UHFFFAOYSA-N 0 0 191.234 1.286 10 0 ADAERN CC(=O)Sc1c(C)noc1C 584601584 346721111 /nfs/dbraw/zinc/72/11/11/346721111.db2.gz AHDULOICNBYQHR-UHFFFAOYSA-N 0 0 171.221 1.930 10 0 ADAERN O=C1CCC(COC(F)F)CC1 584601313 346721116 /nfs/dbraw/zinc/72/11/16/346721116.db2.gz BTYXLZGUMDEXGF-UHFFFAOYSA-N 0 0 178.178 1.985 10 0 ADAERN COc1cc(SC(C)=O)ccn1 584601769 346721147 /nfs/dbraw/zinc/72/11/47/346721147.db2.gz OBPBTOLBOSFJGV-UHFFFAOYSA-N 0 0 183.232 1.729 10 0 ADAERN Nc1cnc([C@H]2CC[C@H](O)CC2)cn1 584601489 346721165 /nfs/dbraw/zinc/72/11/65/346721165.db2.gz TUTXYJNRRNMEJO-ZKCHVHJHSA-N 0 0 193.250 1.077 10 0 ADAERN CCOC(=O)CC(=O)C1(F)CC1 584601900 346721191 /nfs/dbraw/zinc/72/11/91/346721191.db2.gz KTNSKRGYMFYHIM-UHFFFAOYSA-N 0 0 174.171 1.011 10 0 ADAERN CC(C)C(O)(COCCO)C(C)C 584602782 346721539 /nfs/dbraw/zinc/72/15/39/346721539.db2.gz YSAIMDJWGUZWDM-UHFFFAOYSA-N 0 0 190.283 1.038 10 0 ADAERN CCOC(=O)c1cccc([C@H]2CO2)c1 584604550 346721863 /nfs/dbraw/zinc/72/18/63/346721863.db2.gz SEZLVICELWVALU-SNVBAGLBSA-N 0 0 192.214 1.935 10 0 ADAERN CC(=O)[C@@H]1[C@H]2CC3(COC3)C[C@H]21 584603853 346721879 /nfs/dbraw/zinc/72/18/79/346721879.db2.gz VKAGBWSWNBLBGZ-BRPSZJMVSA-N 0 0 166.220 1.248 10 0 ADAERN Clc1cnc2c(n1)COC2 584604041 346721901 /nfs/dbraw/zinc/72/19/01/346721901.db2.gz GYHQMIUWPAOEER-UHFFFAOYSA-N 0 0 156.572 1.160 10 0 ADAERN CC(=O)CC(=O)OCc1ccoc1 584604111 346721923 /nfs/dbraw/zinc/72/19/23/346721923.db2.gz NSCBURBTLIVSBY-UHFFFAOYSA-N 0 0 182.175 1.302 10 0 ADAERN CCOC(=O)C[C@@H](NO)c1ccco1 584604511 346722004 /nfs/dbraw/zinc/72/20/04/346722004.db2.gz KKKBPCQWEWFHHM-SSDOTTSWSA-N 0 0 199.206 1.253 10 0 ADAERN Clc1cnc2c(c1)COC2 584604131 346722049 /nfs/dbraw/zinc/72/20/49/346722049.db2.gz PCWPVFSLYBTESV-UHFFFAOYSA-N 0 0 155.584 1.765 10 0 ADAERN CCOc1cnc(C(C)=O)cn1 584603554 346722246 /nfs/dbraw/zinc/72/22/46/346722246.db2.gz DNYSVPIGAIOVJB-UHFFFAOYSA-N 0 0 166.180 1.078 10 0 ADAERN CCOC(=O)C[C@H](NO)c1ccco1 584604513 346722160 /nfs/dbraw/zinc/72/21/60/346722160.db2.gz KKKBPCQWEWFHHM-ZETCQYMHSA-N 0 0 199.206 1.253 10 0 ADAERN Clc1nncc2c1COC2 584604004 346722185 /nfs/dbraw/zinc/72/21/85/346722185.db2.gz DCKLTIRUOCKNAA-UHFFFAOYSA-N 0 0 156.572 1.160 10 0 ADAERN C/C=C(\C)COC(=O)n1ccnc1 584609934 346726497 /nfs/dbraw/zinc/72/64/97/346726497.db2.gz UPFUVPCFNKPDET-FPYGCLRLSA-N 0 0 180.207 1.834 10 0 ADAERN C=Cc1ccc2nc(C)c(C)n2n1 584606048 346722564 /nfs/dbraw/zinc/72/25/64/346722564.db2.gz YBBDRAQIABYZPZ-UHFFFAOYSA-N 0 0 173.219 1.989 10 0 ADAERN C[C@H](N[S@@](C)=O)C1CCC1 584605516 346722612 /nfs/dbraw/zinc/72/26/12/346722612.db2.gz VVUNJVAPYTYEAV-QUBYGPBYSA-N 0 0 161.270 1.058 10 0 ADAERN COC(=O)c1cccc(N(C)C)c1O 584606792 346722629 /nfs/dbraw/zinc/72/26/29/346722629.db2.gz VDFXJMARZFMOEM-UHFFFAOYSA-N 0 0 195.218 1.245 10 0 ADAERN COC(=O)c1occ2c1CCCC2 584606613 346722632 /nfs/dbraw/zinc/72/26/32/346722632.db2.gz MDXMFPQOCAIXCH-UHFFFAOYSA-N 0 0 180.203 1.945 10 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1.969 10 0 ADAERN C/C(=C\CO)c1ccccc1NC=O 584610237 346726434 /nfs/dbraw/zinc/72/64/34/346726434.db2.gz QMQREHGKCZORTK-RMKNXTFCSA-N 0 0 191.230 1.651 10 0 ADAERN CCOC(=O)/C=C(\C)[C@@H]1CCCO1 584610129 346726438 /nfs/dbraw/zinc/72/64/38/346726438.db2.gz KAXJBICPZYDCHT-FLOXNTQESA-N 0 0 184.235 1.675 10 0 ADAERN COC(=O)/C=C(\C)c1cccc(O)c1 584609921 346726445 /nfs/dbraw/zinc/72/64/45/346726445.db2.gz RURNPPREANNQDK-SOFGYWHQSA-N 0 0 192.214 1.969 10 0 ADAERN C[Si](C)(C)CC/C=C/C(N)=O 584610096 346726468 /nfs/dbraw/zinc/72/64/68/346726468.db2.gz QAJUIQKESYBMJX-GQCTYLIASA-N 0 0 171.316 1.756 10 0 ADAERN CCOC(=O)/C=C/Cc1ccco1 584610017 346726494 /nfs/dbraw/zinc/72/64/94/346726494.db2.gz BOOHLFSVFZOLRL-XVNBXDOJSA-N 0 0 180.203 1.941 10 0 ADAERN C[Si](C)(C)CC/C=C\C(N)=O 584610097 346726511 /nfs/dbraw/zinc/72/65/11/346726511.db2.gz QAJUIQKESYBMJX-XQRVVYSFSA-N 0 0 171.316 1.756 10 0 ADAERN O=[N+]([O-])/C(=C/c1ccco1)CCCO 584610026 346726535 /nfs/dbraw/zinc/72/65/35/346726535.db2.gz 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/nfs/dbraw/zinc/72/69/50/346726950.db2.gz JIPLTRDCWHUWIX-LLVKDONJSA-N 0 0 196.246 1.995 10 0 ADAERN COCO[C@@H](COC)c1ccccc1 584610380 346726969 /nfs/dbraw/zinc/72/69/69/346726969.db2.gz JIPLTRDCWHUWIX-NSHDSACASA-N 0 0 196.246 1.995 10 0 ADAERN CCCC[C@H]1OC(=O)C(C)=C1N 584610603 346726975 /nfs/dbraw/zinc/72/69/75/346726975.db2.gz QIJXZVASETVOSE-SSDOTTSWSA-N 0 0 169.224 1.335 10 0 ADAERN O=C1N[C@]2(CNc3ccccc32)CO1 584610455 346727053 /nfs/dbraw/zinc/72/70/53/346727053.db2.gz PVUSXBCIEXVJTA-SNVBAGLBSA-N 0 0 190.202 1.047 10 0 ADAERN COCO[C@@H]1C=CCOC1(C)C 584610561 346727054 /nfs/dbraw/zinc/72/70/54/346727054.db2.gz QLGJKAPXWWPOIX-MRVPVSSYSA-N 0 0 172.224 1.341 10 0 ADAERN CC(C)CC[C@@]1(O)CCOC1=O 584610580 346727078 /nfs/dbraw/zinc/72/70/78/346727078.db2.gz LDTDBLMFOOPEEM-SECBINFHSA-N 0 0 172.224 1.101 10 0 ADAERN CC(C)C(=O)O[C@@H]1CCn2ccnc21 584610530 346727082 /nfs/dbraw/zinc/72/70/82/346727082.db2.gz CHMGXMRQAQFFIZ-MRVPVSSYSA-N 0 0 194.234 1.527 10 0 ADAERN CO[C@@H]1CCC(=O)OC1(C)C 584610636 346727141 /nfs/dbraw/zinc/72/71/41/346727141.db2.gz XJAPUPLRUZDFRW-ZCFIWIBFSA-N 0 0 158.197 1.117 10 0 ADAERN O=C1CCC[C@H]([C@H]2CCC(=O)O2)C1 584610631 346727159 /nfs/dbraw/zinc/72/71/59/346727159.db2.gz VWMFCAXKYKUVFU-IONNQARKSA-N 0 0 182.219 1.451 10 0 ADAERN COCO[C@@H]1CC=COC1(C)C 584610537 346727182 /nfs/dbraw/zinc/72/71/82/346727182.db2.gz MBHSRDKFDMJJEG-MRVPVSSYSA-N 0 0 172.224 1.688 10 0 ADAERN CC(C)C[C@H]1CCS(=O)(=O)N1C 584610686 346727229 /nfs/dbraw/zinc/72/72/29/346727229.db2.gz CXEYESSQQDGJGW-MRVPVSSYSA-N 0 0 191.296 1.066 10 0 ADAERN O=C1OCC[C@H]1c1ccccc1F 584610890 346727562 /nfs/dbraw/zinc/72/75/62/346727562.db2.gz ZYDRFZGRJHUMIF-QMMMGPOBSA-N 0 0 180.178 1.856 10 0 ADAERN CCN1C(=O)C[C@H]1c1ccccc1 584611015 346727613 /nfs/dbraw/zinc/72/76/13/346727613.db2.gz VBHOUOUPAPDVHL-JTQLQIEISA-N 0 0 175.231 1.980 10 0 ADAERN O=C1CCOC[C@@]1(F)c1ccccc1 584610767 346727730 /nfs/dbraw/zinc/72/77/30/346727730.db2.gz UNVJQKOSRYYHJO-LLVKDONJSA-N 0 0 194.205 1.841 10 0 ADAERN CC(=O)[C@@H]1CN1C(=O)OC(C)(C)C 584610886 346727763 /nfs/dbraw/zinc/72/77/63/346727763.db2.gz YQTPABYZZPWSGM-BYDSUWOYSA-N 0 0 185.223 1.195 10 0 ADAERN C/C=C\CC1(C)OCCO1 584611028 346727792 /nfs/dbraw/zinc/72/77/92/346727792.db2.gz AOQWGABFEZKGEW-ARJAWSKDSA-N 0 0 142.198 1.716 10 0 ADAERN CC1=CC(=O)O/C1=C\c1ccccn1 584611969 346728009 /nfs/dbraw/zinc/72/80/09/346728009.db2.gz UNLAURDKJKIDGW-YFHOEESVSA-N 0 0 187.198 1.926 10 0 ADAERN CCOC(=O)/C=C(/C)[C@@H]1CCCO1 584611531 346728042 /nfs/dbraw/zinc/72/80/42/346728042.db2.gz KAXJBICPZYDCHT-FUOZMLNRSA-N 0 0 184.235 1.675 10 0 ADAERN CC1=N/C(=C\c2ccoc2)C(=O)O1 584611100 346728086 /nfs/dbraw/zinc/72/80/86/346728086.db2.gz GIGOHWXQRFESPN-YWEYNIOJSA-N 0 0 177.159 1.596 10 0 ADAERN CCOC(=O)/C=C(/C)[C@H]1CCCO1 584611533 346728211 /nfs/dbraw/zinc/72/82/11/346728211.db2.gz KAXJBICPZYDCHT-UFGYOYAJSA-N 0 0 184.235 1.675 10 0 ADAERN C/C(=C(/N)c1ccccc1)[N+](=O)[O-] 584611113 346728220 /nfs/dbraw/zinc/72/82/20/346728220.db2.gz HWXNNJGYTVIGHY-CLFYSBASSA-N 0 0 178.191 1.611 10 0 ADAERN CCOC(/C=C1/C=CC(=O)O1)OCC 584611628 346728235 /nfs/dbraw/zinc/72/82/35/346728235.db2.gz MORHIWFJQOCCFM-FPLPWBNLSA-N 0 0 198.218 1.382 10 0 ADAERN CN/C=C\C(=O)Nc1ccccc1 584611234 346728321 /nfs/dbraw/zinc/72/83/21/346728321.db2.gz QXYBJCLZFRIGLS-FPLPWBNLSA-N 0 0 176.219 1.358 10 0 ADAERN c1ccc(P2CCCC2)nc1 584613462 346728486 /nfs/dbraw/zinc/72/84/86/346728486.db2.gz IJZHOSDUWZPANK-UHFFFAOYSA-N 0 0 165.176 1.983 10 0 ADAERN OC1([C@H]2C=COCC2)CCCC1 584613479 346728536 /nfs/dbraw/zinc/72/85/36/346728536.db2.gz KZOSBJYQTNWDDY-VIFPVBQESA-N 0 0 168.236 1.842 10 0 ADAERN O=C1NCCN1c1ccc(O)cc1F 584612997 346728551 /nfs/dbraw/zinc/72/85/51/346728551.db2.gz GVMVZXYGUADINU-UHFFFAOYSA-N 0 0 196.181 1.061 10 0 ADAERN Cc1ccc(Cl)c2c1CCNC2=O 584613057 346728640 /nfs/dbraw/zinc/72/86/40/346728640.db2.gz TUUQNIQKKRAZBI-UHFFFAOYSA-N 0 0 195.649 1.934 10 0 ADAERN OC1([C@@H]2C=COCC2)CCCC1 584613475 346728720 /nfs/dbraw/zinc/72/87/20/346728720.db2.gz KZOSBJYQTNWDDY-SECBINFHSA-N 0 0 168.236 1.842 10 0 ADAERN O=C1NCCN1c1ccc(O)c(F)c1 584613423 346728776 /nfs/dbraw/zinc/72/87/76/346728776.db2.gz DJBJDQNFJPLBMV-UHFFFAOYSA-N 0 0 196.181 1.061 10 0 ADAERN C[C@@H]1CN1C(=O)CCc1ccccc1 584613539 346728784 /nfs/dbraw/zinc/72/87/84/346728784.db2.gz QMHKIGDZJTZBDY-VUUHIHSGSA-N 0 0 189.258 1.850 10 0 ADAERN CC(C)=CCCN1C(=O)CCCC1=O 584613598 346729144 /nfs/dbraw/zinc/72/91/44/346729144.db2.gz ROZHKIDFICVZTM-UHFFFAOYSA-N 0 0 195.262 1.882 10 0 ADAERN Cc1cccc(C2=C(O)CNC2=O)c1 584615859 346729264 /nfs/dbraw/zinc/72/92/64/346729264.db2.gz NLOFEUBDUUISCZ-UHFFFAOYSA-N 0 0 189.214 1.394 10 0 ADAERN Cc1ccccc1C1=C(O)CNC1=O 584615765 346729269 /nfs/dbraw/zinc/72/92/69/346729269.db2.gz CLBSDVTVHOMFMA-UHFFFAOYSA-N 0 0 189.214 1.394 10 0 ADAERN Cc1c(-c2ccccc2)n(C)c[n+]1[O-] 584615522 346729299 /nfs/dbraw/zinc/72/92/99/346729299.db2.gz ZTLIEWBUHJGHLL-UHFFFAOYSA-N 0 0 188.230 1.634 10 0 ADAERN Cc1cc2c(cc1C)N(C)C(=O)C2=O 584615898 346729336 /nfs/dbraw/zinc/72/93/36/346729336.db2.gz SIQGARQBOAQMFV-UHFFFAOYSA-N 0 0 189.214 1.463 10 0 ADAERN C1CC2(C[C@]3(C1)CO3)OCCO2 584615836 346729375 /nfs/dbraw/zinc/72/93/75/346729375.db2.gz JEJWQNHASYLCDN-MRVPVSSYSA-N 0 0 170.208 1.073 10 0 ADAERN CC(=O)c1sccc1C1OCCO1 584615778 346729425 /nfs/dbraw/zinc/72/94/25/346729425.db2.gz SPFXKUXGNARTLC-UHFFFAOYSA-N 0 0 198.243 1.996 10 0 ADAERN Cc1ccc(C2=C(O)CNC2=O)cc1 584615918 346729447 /nfs/dbraw/zinc/72/94/47/346729447.db2.gz VKWUNXTUXCEZSH-UHFFFAOYSA-N 0 0 189.214 1.394 10 0 ADAERN COc1cnc2cnccc2c1 584616024 346729458 /nfs/dbraw/zinc/72/94/58/346729458.db2.gz SGQUKVZFNZQUTO-UHFFFAOYSA-N 0 0 160.176 1.638 10 0 ADAERN C[C@](O)(C(=O)C1CC1)c1ccccc1 584616321 346729485 /nfs/dbraw/zinc/72/94/85/346729485.db2.gz AUBXDQXLEJIAGT-GFCCVEGCSA-N 0 0 190.242 1.873 10 0 ADAERN C1CC2(C[C@@]3(C1)CO3)OCCO2 584615837 346729494 /nfs/dbraw/zinc/72/94/94/346729494.db2.gz JEJWQNHASYLCDN-QMMMGPOBSA-N 0 0 170.208 1.073 10 0 ADAERN Cc1c(N)cnn1Cc1ccncc1 584619080 346729855 /nfs/dbraw/zinc/72/98/55/346729855.db2.gz DXEHZRGQNCKHMN-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN Cc1nn(Cc2ccncc2)cc1N 584619216 346729866 /nfs/dbraw/zinc/72/98/66/346729866.db2.gz OITXCCPLEGXDND-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CC(=O)c1ccc2c(c1)CCOC2=O 584617167 346729877 /nfs/dbraw/zinc/72/98/77/346729877.db2.gz OLUNMAHWHSKYGL-UHFFFAOYSA-N 0 0 190.198 1.602 10 0 ADAERN Cc1cc(Cn2ncc(N)c2C)no1 584619138 346729939 /nfs/dbraw/zinc/72/99/39/346729939.db2.gz HMGAEWCJKALTCK-UHFFFAOYSA-N 0 0 192.222 1.118 10 0 ADAERN O=C1[C@H]2CCCCCN1CCC2 584616682 346729961 /nfs/dbraw/zinc/72/99/61/346729961.db2.gz SDKREGJYBANLAE-VIFPVBQESA-N 0 0 167.252 1.799 10 0 ADAERN CCCc1ccnn1CC 584616689 346729965 /nfs/dbraw/zinc/72/99/65/346729965.db2.gz XFFMGSRKCCCNIY-UHFFFAOYSA-N 0 0 138.214 1.856 10 0 ADAERN CC[C@@]12CC=CC[C@@H]1O2 584616646 346729970 /nfs/dbraw/zinc/72/99/70/346729970.db2.gz UFLPXZUUPFUXPF-JGVFFNPUSA-N 0 0 124.183 1.884 10 0 ADAERN COC(=O)[C@]1(O)C[C@@H]2CCCC[C@@H]2C1 584618528 346729997 /nfs/dbraw/zinc/72/99/97/346729997.db2.gz KSXCLRTZLKKCDZ-DOFRTFSJSA-N 0 0 198.262 1.491 10 0 ADAERN CC[C@]12CC=CC[C@H]1O2 584616647 346730018 /nfs/dbraw/zinc/73/00/18/346730018.db2.gz UFLPXZUUPFUXPF-SFYZADRCSA-N 0 0 124.183 1.884 10 0 ADAERN Cc1cc(Cn2cc(N)c(C)n2)no1 584619170 346730069 /nfs/dbraw/zinc/73/00/69/346730069.db2.gz KAYIEEYRQJWCNV-UHFFFAOYSA-N 0 0 192.222 1.118 10 0 ADAERN C=Cc1cn(CCC)cn1 584616862 346730181 /nfs/dbraw/zinc/73/01/81/346730181.db2.gz AWAQTGWPMQUCEG-UHFFFAOYSA-N 0 0 136.198 1.936 10 0 ADAERN Cn1c[n+]([O-])cc1-c1ccccc1 584619892 346730545 /nfs/dbraw/zinc/73/05/45/346730545.db2.gz KITQEJBPWNBATM-UHFFFAOYSA-N 0 0 174.203 1.326 10 0 ADAERN COC[C@H](COCC(C)C)OC 584619764 346730561 /nfs/dbraw/zinc/73/05/61/346730561.db2.gz CIPUJELCVNAWGZ-SECBINFHSA-N 0 0 176.256 1.320 10 0 ADAERN Cc1nc(-c2ccncc2)n(O)c1C 584620269 346730577 /nfs/dbraw/zinc/73/05/77/346730577.db2.gz YCUKZQBJHHFLIK-UHFFFAOYSA-N 0 0 189.218 1.799 10 0 ADAERN c1cc2c(nc1C1OCCO1)NCC2 584620210 346730596 /nfs/dbraw/zinc/73/05/96/346730596.db2.gz XHSGHUXXVOYNMY-UHFFFAOYSA-N 0 0 192.218 1.095 10 0 ADAERN C[C@H]1CCCn2c1cccc2=O 584619818 346730653 /nfs/dbraw/zinc/73/06/53/346730653.db2.gz FAXNXDAJGRPVSL-QMMMGPOBSA-N 0 0 163.220 1.746 10 0 ADAERN COC(=O)c1nn(C)cc1NC(C)C 584619417 346730660 /nfs/dbraw/zinc/73/06/60/346730660.db2.gz NTUBXLKVFPHKLY-UHFFFAOYSA-N 0 0 197.238 1.027 10 0 ADAERN COC(=O)c1nnc2cc(C)[nH]cc1-2 584619584 346730667 /nfs/dbraw/zinc/73/06/67/346730667.db2.gz GLAXZFHBMKAJRP-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN Cn1ccc(C2(F)CC2)n1 584619321 346730696 /nfs/dbraw/zinc/73/06/96/346730696.db2.gz WASREJUXPDDOQH-UHFFFAOYSA-N 0 0 140.161 1.379 10 0 ADAERN O=Cc1cccn1-c1nncs1 584619656 346730718 /nfs/dbraw/zinc/73/07/18/346730718.db2.gz JXPGJNFBYCMCHV-UHFFFAOYSA-N 0 0 179.204 1.141 10 0 ADAERN C[C@@H]1CCCn2c1cccc2=O 584619816 346730744 /nfs/dbraw/zinc/73/07/44/346730744.db2.gz FAXNXDAJGRPVSL-MRVPVSSYSA-N 0 0 163.220 1.746 10 0 ADAERN O=C1Cc2c(ncc3ccccc23)N1 584620261 346730773 /nfs/dbraw/zinc/73/07/73/346730773.db2.gz WYDIHCPUFLOOBU-UHFFFAOYSA-N 0 0 184.198 1.729 10 0 ADAERN Cn1c(CO)cc2c(Cl)nccc21 584620048 346730775 /nfs/dbraw/zinc/73/07/75/346730775.db2.gz KGCVUTGBZLSAMC-UHFFFAOYSA-N 0 0 196.637 1.719 10 0 ADAERN CCOC(=O)c1cn(COC)cc1C 584620082 346730791 /nfs/dbraw/zinc/73/07/91/346730791.db2.gz FVQXOHJWSTVBTE-UHFFFAOYSA-N 0 0 197.234 1.577 10 0 ADAERN Cc1nc(Cl)cc2n[nH]cc12 584619865 346730820 /nfs/dbraw/zinc/73/08/20/346730820.db2.gz RQAOFKWFYFRMBM-UHFFFAOYSA-N 0 0 167.599 1.920 10 0 ADAERN COC[C@@H](COCC(C)C)OC 584619766 346730827 /nfs/dbraw/zinc/73/08/27/346730827.db2.gz CIPUJELCVNAWGZ-VIFPVBQESA-N 0 0 176.256 1.320 10 0 ADAERN COC(=O)N1CCC[Si]1(C)C 584619895 346730844 /nfs/dbraw/zinc/73/08/44/346730844.db2.gz KLFWXOUZWRMNLI-UHFFFAOYSA-N 0 0 173.288 1.664 10 0 ADAERN c1cc2ccc(C3OCCO3)nc2[nH]1 584620154 346730853 /nfs/dbraw/zinc/73/08/53/346730853.db2.gz NILAMBIWTFVXIS-UHFFFAOYSA-N 0 0 190.202 1.608 10 0 ADAERN COC(=O)c1nnc2c[nH]c(C)cc1-2 584619616 346730871 /nfs/dbraw/zinc/73/08/71/346730871.db2.gz IGGSOQRBVFQAFG-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN C[C@@]12C[C@@H]1CCC1(C2)OCCO1 584620653 346731273 /nfs/dbraw/zinc/73/12/73/346731273.db2.gz SOKXOAYGBVAPIX-IUCAKERBSA-N 0 0 168.236 1.940 10 0 ADAERN Cn1ccc2nc3ccccc3c(=O)n21 584620746 346731288 /nfs/dbraw/zinc/73/12/88/346731288.db2.gz YEBSGNIDLSCEKY-UHFFFAOYSA-N 0 0 199.213 1.186 10 0 ADAERN C[C@]12C[C@H]1CCC1(C2)OCCO1 584620655 346731308 /nfs/dbraw/zinc/73/13/08/346731308.db2.gz SOKXOAYGBVAPIX-RKDXNWHRSA-N 0 0 168.236 1.940 10 0 ADAERN O[C@H]1CC[C@@H]2CCCC[C@@]2(O)C1 584624666 346732091 /nfs/dbraw/zinc/73/20/91/346732091.db2.gz DKNCGNPWKMGQJO-LPEHRKFASA-N 0 0 170.252 1.453 10 0 ADAERN CC(=O)C(Cc1ccncc1)C(C)=O 584630863 346735280 /nfs/dbraw/zinc/73/52/80/346735280.db2.gz XSWMNVZSVXTCNX-UHFFFAOYSA-N 0 0 191.230 1.418 10 0 ADAERN Cc1ccc(OC(=O)N(C)C)c(O)c1 584625042 346732119 /nfs/dbraw/zinc/73/21/19/346732119.db2.gz ACDMNPSMCBNFPD-UHFFFAOYSA-N 0 0 195.218 1.761 10 0 ADAERN Cn1cc(Cc2ccccn2)cn1 584624304 346732123 /nfs/dbraw/zinc/73/21/23/346732123.db2.gz UKHJBBVIRSTPGP-UHFFFAOYSA-N 0 0 173.219 1.406 10 0 ADAERN CC[Si](C)(C)c1cccccc1=O 584625203 346732370 /nfs/dbraw/zinc/73/23/70/346732370.db2.gz IMSBCDPWQPZGRN-UHFFFAOYSA-N 0 0 192.334 1.982 10 0 ADAERN C=C=CCNC(=O)c1ccccc1N 584625021 346732405 /nfs/dbraw/zinc/73/24/05/346732405.db2.gz MRGLWADUWVQWGM-UHFFFAOYSA-N 0 0 188.230 1.340 10 0 ADAERN C=Cc1ccc(-n2ncnn2)cc1 584625286 346732629 /nfs/dbraw/zinc/73/26/29/346732629.db2.gz JSXIQRJSPYOQAM-UHFFFAOYSA-N 0 0 172.191 1.305 10 0 ADAERN CCNc1cccccc1=O 584625268 346732641 /nfs/dbraw/zinc/73/26/41/346732641.db2.gz NZBPTXWELXVAQN-UHFFFAOYSA-N 0 0 149.193 1.479 10 0 ADAERN CC(C)(O)CO[C@@H]1CCCCO1 584626537 346733117 /nfs/dbraw/zinc/73/31/17/346733117.db2.gz IJRGYPBVRJGWEL-MRVPVSSYSA-N 0 0 174.240 1.301 10 0 ADAERN CC(C)(O)CO[C@H]1CCCCO1 584626538 346733043 /nfs/dbraw/zinc/73/30/43/346733043.db2.gz IJRGYPBVRJGWEL-QMMMGPOBSA-N 0 0 174.240 1.301 10 0 ADAERN O=S1(=O)C=CCN1c1ccccc1 584627056 346733068 /nfs/dbraw/zinc/73/30/68/346733068.db2.gz CJWWZYONHXFAPJ-UHFFFAOYSA-N 0 0 195.243 1.350 10 0 ADAERN COn1c(C)cc2ccccc2c1=O 584626620 346733076 /nfs/dbraw/zinc/73/30/76/346733076.db2.gz WKLZVTDGQODSBO-UHFFFAOYSA-N 0 0 189.214 1.368 10 0 ADAERN CO[C@@H]1CC(C)(C)CCO1 584626632 346733084 /nfs/dbraw/zinc/73/30/84/346733084.db2.gz YGWXPTWDVWTEBR-ZETCQYMHSA-N 0 0 144.214 1.796 10 0 ADAERN CON1C=CCc2ccccc2C1=O 584626562 346733175 /nfs/dbraw/zinc/73/31/75/346733175.db2.gz MLGCEOLWRQKGLX-UHFFFAOYSA-N 0 0 189.214 1.760 10 0 ADAERN C[C@H]1CC(c2cnc(N)cn2)=CCO1 584628191 346733184 /nfs/dbraw/zinc/73/31/84/346733184.db2.gz CTCXQDIPJDURPC-ZETCQYMHSA-N 0 0 191.234 1.251 10 0 ADAERN CCCNc1cccccc1=O 584626955 346733204 /nfs/dbraw/zinc/73/32/04/346733204.db2.gz UNJZIHAVEUTRFD-UHFFFAOYSA-N 0 0 163.220 1.869 10 0 ADAERN CCCCCCO[C@@H](CO)COC 584626960 346733213 /nfs/dbraw/zinc/73/32/13/346733213.db2.gz VDBDMIJPBLNDTH-JTQLQIEISA-N 0 0 190.283 1.591 10 0 ADAERN Nc1nccnc1OCC1CCC1 584628208 346733252 /nfs/dbraw/zinc/73/32/52/346733252.db2.gz DJUIMPYJURXZBG-UHFFFAOYSA-N 0 0 179.223 1.238 10 0 ADAERN C[C@@H]1CC(c2cnc(N)cn2)=CCO1 584628189 346733317 /nfs/dbraw/zinc/73/33/17/346733317.db2.gz CTCXQDIPJDURPC-SSDOTTSWSA-N 0 0 191.234 1.251 10 0 ADAERN CO[C@H]1CC(C)(C)CCO1 584626630 346733362 /nfs/dbraw/zinc/73/33/62/346733362.db2.gz YGWXPTWDVWTEBR-SSDOTTSWSA-N 0 0 144.214 1.796 10 0 ADAERN OCC(F)(F)c1cnc(Cl)cn1 584628257 346733394 /nfs/dbraw/zinc/73/33/94/346733394.db2.gz DIBLLNMPJITVKR-UHFFFAOYSA-N 0 0 194.568 1.214 10 0 ADAERN CC(=O)COC(=S)c1ccccc1 584626996 346733403 /nfs/dbraw/zinc/73/34/03/346733403.db2.gz ACOAYXAFFGSTLG-UHFFFAOYSA-N 0 0 194.255 1.968 10 0 ADAERN COC(=N)c1ncc(OC)cc1F 584628474 346733724 /nfs/dbraw/zinc/73/37/24/346733724.db2.gz IEFWBUNPUGHBCR-UHFFFAOYSA-N 0 0 184.170 1.201 10 0 ADAERN N=C(NO)c1cccc(C(F)F)n1 584628476 346733779 /nfs/dbraw/zinc/73/37/79/346733779.db2.gz IFUDPGDEZSHBMG-UHFFFAOYSA-N 0 0 187.149 1.323 10 0 ADAERN C[C@H]1C[C@@H](c2cnc(N)cn2)CCO1 584628902 346733819 /nfs/dbraw/zinc/73/38/19/346733819.db2.gz YONDOGBUNWEKOU-YUMQZZPRSA-N 0 0 193.250 1.341 10 0 ADAERN CCO/C=C/c1cnc(N)cn1 584628908 346733903 /nfs/dbraw/zinc/73/39/03/346733903.db2.gz YXMKYWNCSIHSSN-ONEGZZNKSA-N 0 0 165.196 1.066 10 0 ADAERN CC(C)(Nc1ccccc1)[C@H](O)CO 584631537 346735857 /nfs/dbraw/zinc/73/58/57/346735857.db2.gz IZBOZKVGICXMRJ-SNVBAGLBSA-N 0 0 195.262 1.230 10 0 ADAERN C[C@@H](O)c1ncc(N)cc1Cl 584629125 346734018 /nfs/dbraw/zinc/73/40/18/346734018.db2.gz DNEAYMTZFLRKPU-SCSAIBSYSA-N 0 0 172.615 1.371 10 0 ADAERN C[C@@H]1C[C@H](c2cnc(N)cn2)CCO1 584628901 346734036 /nfs/dbraw/zinc/73/40/36/346734036.db2.gz YONDOGBUNWEKOU-HTQZYQBOSA-N 0 0 193.250 1.341 10 0 ADAERN C/C=C/c1cnc(N)cn1 584628588 346734040 /nfs/dbraw/zinc/73/40/40/346734040.db2.gz OMPLXOBPBUUEBN-NSCUHMNNSA-N 0 0 135.170 1.092 10 0 ADAERN C[C@@H]1C=C([C@H](O)C2CCCC2)C(=O)O1 584629541 346734361 /nfs/dbraw/zinc/73/43/61/346734361.db2.gz CMXCRPOSWLEINF-GMSGAONNSA-N 0 0 196.246 1.409 10 0 ADAERN C[C@H]1C=C([C@@H](O)C2CCCC2)C(=O)O1 584629545 346734403 /nfs/dbraw/zinc/73/44/03/346734403.db2.gz CMXCRPOSWLEINF-XVKPBYJWSA-N 0 0 196.246 1.409 10 0 ADAERN OCc1ccc(-c2nccs2)cn1 584629564 346734431 /nfs/dbraw/zinc/73/44/31/346734431.db2.gz ZIQMZUKGRVQQPQ-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN CCC(O)(CC)[C@@H]1C=CCCO1 584629537 346734453 /nfs/dbraw/zinc/73/44/53/346734453.db2.gz CDUSDRMHBAAWIB-VIFPVBQESA-N 0 0 170.252 1.883 10 0 ADAERN CCC(O)(CC)[C@H]1C=CCCO1 584629536 346734456 /nfs/dbraw/zinc/73/44/56/346734456.db2.gz CDUSDRMHBAAWIB-SECBINFHSA-N 0 0 170.252 1.883 10 0 ADAERN C[C@H]1C=C([C@H](O)C2CCCC2)C(=O)O1 584629542 346734475 /nfs/dbraw/zinc/73/44/75/346734475.db2.gz CMXCRPOSWLEINF-OIBJUYFYSA-N 0 0 196.246 1.409 10 0 ADAERN C[C@@H]1C=C([C@@H](O)C2CCCC2)C(=O)O1 584629544 346734480 /nfs/dbraw/zinc/73/44/80/346734480.db2.gz CMXCRPOSWLEINF-XCBNKYQSSA-N 0 0 196.246 1.409 10 0 ADAERN C1CCC2(CC1)OC[C@@H]1O[C@@H]1CO2 584630629 346734806 /nfs/dbraw/zinc/73/48/06/346734806.db2.gz LXAOKDRTYXHDLY-DTORHVGOSA-N 0 0 184.235 1.461 10 0 ADAERN CCc1nc(CC)c(C)[n+]([O-])c1C 584630633 346734812 /nfs/dbraw/zinc/73/48/12/346734812.db2.gz NOVAVGFNXGOSLV-UHFFFAOYSA-N 0 0 180.251 1.457 10 0 ADAERN O=C1OCC[C@@H]1c1cc(O)ccc1O 584630366 346734836 /nfs/dbraw/zinc/73/48/36/346734836.db2.gz ZRPFNNLVSXYOJN-SSDOTTSWSA-N 0 0 194.186 1.128 10 0 ADAERN c1ccn2c(-c3cnccn3)nnc2c1 584630466 346734848 /nfs/dbraw/zinc/73/48/48/346734848.db2.gz DLXYSWUSAIBDCW-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN CN1C[C@H](c2ccc(F)nc2)CC1=O 584630250 346734853 /nfs/dbraw/zinc/73/48/53/346734853.db2.gz VGQLCLLSZZLRCN-MRVPVSSYSA-N 0 0 194.209 1.166 10 0 ADAERN NC(=O)CC(F)(F)c1ccccc1 584630641 346734893 /nfs/dbraw/zinc/73/48/93/346734893.db2.gz HFQSDTQEJKFEDC-UHFFFAOYSA-N 0 0 185.173 1.654 10 0 ADAERN O=Cc1cccc([C@@H]2COC(=O)O2)c1 584630512 346734896 /nfs/dbraw/zinc/73/48/96/346734896.db2.gz KXCJJUGFPNDPFP-VIFPVBQESA-N 0 0 192.170 1.707 10 0 ADAERN O=C1OCC[C@H]1c1cc(O)ccc1O 584630368 346734913 /nfs/dbraw/zinc/73/49/13/346734913.db2.gz ZRPFNNLVSXYOJN-ZETCQYMHSA-N 0 0 194.186 1.128 10 0 ADAERN C=CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)C(=O)O[C@H]31 584630333 346734918 /nfs/dbraw/zinc/73/49/18/346734918.db2.gz WYHSMTHTZATXOX-ANZWQOBJSA-N 0 0 180.203 1.097 10 0 ADAERN CCC[C@H]1OC(=O)C(F)=C1F 584630612 346734926 /nfs/dbraw/zinc/73/49/26/346734926.db2.gz CZJQWXWMDHHULG-SCSAIBSYSA-N 0 0 162.135 1.863 10 0 ADAERN O=Cc1cccc([C@H]2COC(=O)O2)c1 584630511 346735017 /nfs/dbraw/zinc/73/50/17/346735017.db2.gz KXCJJUGFPNDPFP-SECBINFHSA-N 0 0 192.170 1.707 10 0 ADAERN C=CO[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2 584630342 346735051 /nfs/dbraw/zinc/73/50/51/346735051.db2.gz WYHSMTHTZATXOX-QMGXLNLGSA-N 0 0 180.203 1.097 10 0 ADAERN CN1C[C@@H](c2ccc(F)nc2)CC1=O 584630251 346735065 /nfs/dbraw/zinc/73/50/65/346735065.db2.gz VGQLCLLSZZLRCN-QMMMGPOBSA-N 0 0 194.209 1.166 10 0 ADAERN O=C1NC[C@H]1CCc1ccccc1 584630488 346735106 /nfs/dbraw/zinc/73/51/06/346735106.db2.gz GCIXIWYWLXPKKN-SNVBAGLBSA-N 0 0 175.231 1.365 10 0 ADAERN C1CCC2(CC1)OC[C@@H]1O[C@H]1CO2 584630630 346735111 /nfs/dbraw/zinc/73/51/11/346735111.db2.gz LXAOKDRTYXHDLY-IUCAKERBSA-N 0 0 184.235 1.461 10 0 ADAERN Cn1ccc(N2CCC(C)(C)C2=O)n1 584630248 346735120 /nfs/dbraw/zinc/73/51/20/346735120.db2.gz VBEMDSHHXFQBRF-UHFFFAOYSA-N 0 0 193.250 1.183 10 0 ADAERN CSc1nc(C)c2c(C)[nH]nc2n1 584630644 346735122 /nfs/dbraw/zinc/73/51/22/346735122.db2.gz HYQDXCVDORBHSX-UHFFFAOYSA-N 0 0 194.263 1.692 10 0 ADAERN O=C1NC[C@@H]1CCc1ccccc1 584630487 346735128 /nfs/dbraw/zinc/73/51/28/346735128.db2.gz GCIXIWYWLXPKKN-JTQLQIEISA-N 0 0 175.231 1.365 10 0 ADAERN CSc1nnc(OC(C)(C)C)o1 584630414 346735136 /nfs/dbraw/zinc/73/51/36/346735136.db2.gz WFQYINSIMCSSRA-UHFFFAOYSA-N 0 0 188.252 1.969 10 0 ADAERN C1CCC2(CC1)OC[C@H]1O[C@@H]1CO2 584630631 346735139 /nfs/dbraw/zinc/73/51/39/346735139.db2.gz LXAOKDRTYXHDLY-RKDXNWHRSA-N 0 0 184.235 1.461 10 0 ADAERN Cc1cc(O)c2cc(N)c(=O)oc2c1 584630903 346735270 /nfs/dbraw/zinc/73/52/70/346735270.db2.gz LFNCQLFRZOXEBX-UHFFFAOYSA-N 0 0 191.186 1.389 10 0 ADAERN c1cn2c(-c3ccoc3)cnc2cn1 584630858 346735307 /nfs/dbraw/zinc/73/53/07/346735307.db2.gz WIIVTFXARUJCJH-UHFFFAOYSA-N 0 0 185.186 1.989 10 0 ADAERN CC(=O)C1=NO[C@@H](C(C)(C)C)C1 584630926 346735342 /nfs/dbraw/zinc/73/53/42/346735342.db2.gz NSDZXEIOPVAEHS-MRVPVSSYSA-N 0 0 169.224 1.766 10 0 ADAERN O=c1onc(Cc2ccccc2)o1 584630958 346735379 /nfs/dbraw/zinc/73/53/79/346735379.db2.gz FHXQDZFSFDWUQG-UHFFFAOYSA-N 0 0 177.159 1.219 10 0 ADAERN CC(C)(C)C1=NOCCO1 584630753 346735399 /nfs/dbraw/zinc/73/53/99/346735399.db2.gz DFBABLFPFFEWPN-UHFFFAOYSA-N 0 0 143.186 1.393 10 0 ADAERN CCCCC/C(=C/CO)CO 584630794 346735423 /nfs/dbraw/zinc/73/54/23/346735423.db2.gz KCKMKMWZBQAWEO-TWGQIWQCSA-N 0 0 158.241 1.478 10 0 ADAERN O=C1OCCN1Cc1ccccn1 584630768 346735460 /nfs/dbraw/zinc/73/54/60/346735460.db2.gz FTXIYTLGJQSJGG-UHFFFAOYSA-N 0 0 178.191 1.034 10 0 ADAERN C[Si]1(C)COc2cnccc2C1 584630754 346735465 /nfs/dbraw/zinc/73/54/65/346735465.db2.gz UEIIJLFUMLRURC-UHFFFAOYSA-N 0 0 179.295 1.803 10 0 ADAERN c1cn2c(-c3cncnc3)cnc2cn1 584630862 346735479 /nfs/dbraw/zinc/73/54/79/346735479.db2.gz XHKACPUOKOSAAJ-UHFFFAOYSA-N 0 0 197.201 1.186 10 0 ADAERN O=c1ccn2c3c([nH]c2n1)N=CCC3 584630746 346735504 /nfs/dbraw/zinc/73/55/04/346735504.db2.gz SPOKCRYPHCOCGR-UHFFFAOYSA-N 0 0 188.190 1.083 10 0 ADAERN CC(=O)C1=NO[C@H](C(C)(C)C)C1 584630927 346735527 /nfs/dbraw/zinc/73/55/27/346735527.db2.gz NSDZXEIOPVAEHS-QMMMGPOBSA-N 0 0 169.224 1.766 10 0 ADAERN CCC1(CC)CC(C(C)=O)=NO1 584630929 346735534 /nfs/dbraw/zinc/73/55/34/346735534.db2.gz NZRALODBNMFBHH-UHFFFAOYSA-N 0 0 169.224 1.911 10 0 ADAERN CC(=O)c1cc(C(C)(C)O)on1 584630924 346735547 /nfs/dbraw/zinc/73/55/47/346735547.db2.gz NNFVQBOAWRNUMN-UHFFFAOYSA-N 0 0 169.180 1.105 10 0 ADAERN CC(C)(Nc1ccccc1)[C@@H](O)CO 584631536 346735758 /nfs/dbraw/zinc/73/57/58/346735758.db2.gz IZBOZKVGICXMRJ-JTQLQIEISA-N 0 0 195.262 1.230 10 0 ADAERN C[C@H]1Cn2c(nc3ccccc32)CO1 584631534 346735769 /nfs/dbraw/zinc/73/57/69/346735769.db2.gz HIXFAHKKHWYVEM-QMMMGPOBSA-N 0 0 188.230 1.955 10 0 ADAERN CC(C)(Oc1ccccc1)[C@H](O)CO 584631566 346735776 /nfs/dbraw/zinc/73/57/76/346735776.db2.gz PXLMNYMGCFVWQC-SNVBAGLBSA-N 0 0 196.246 1.197 10 0 ADAERN CC(C)CC[C@@H]1CC(=O)N(C)C1=O 584632087 346735796 /nfs/dbraw/zinc/73/57/96/346735796.db2.gz JUJAYGWVDFBENO-MRVPVSSYSA-N 0 0 183.251 1.428 10 0 ADAERN C[C@H]1C(=O)Nc2nc3ccccc3n21 584632032 346735808 /nfs/dbraw/zinc/73/58/08/346735808.db2.gz HXIRBAYDIPPCTR-LURJTMIESA-N 0 0 187.202 1.549 10 0 ADAERN CC(C)(Oc1ccccc1)[C@@H](O)CO 584631565 346735851 /nfs/dbraw/zinc/73/58/51/346735851.db2.gz PXLMNYMGCFVWQC-JTQLQIEISA-N 0 0 196.246 1.197 10 0 ADAERN CC[C@]1(C)C(=O)N(C)c2ncccc21 584632013 346735870 /nfs/dbraw/zinc/73/58/70/346735870.db2.gz FNBDMYRMNYZZNG-NSHDSACASA-N 0 0 190.246 1.726 10 0 ADAERN CC1(O)CC2C=CC(C=C2)C1 584631559 346735878 /nfs/dbraw/zinc/73/58/78/346735878.db2.gz PAQBFUUBFNOKMH-UHFFFAOYSA-N 0 0 150.221 1.890 10 0 ADAERN C[C@@H]1Cn2c(nc3ccccc32)CO1 584631533 346735887 /nfs/dbraw/zinc/73/58/87/346735887.db2.gz HIXFAHKKHWYVEM-MRVPVSSYSA-N 0 0 188.230 1.955 10 0 ADAERN Cc1nnc2[nH]nc(-c3ccccc3)n12 584631528 346735911 /nfs/dbraw/zinc/73/59/11/346735911.db2.gz GHYZHFQWKDZSJB-UHFFFAOYSA-N 0 0 199.217 1.428 10 0 ADAERN CC(C)CC[C@H]1CC(=O)N(C)C1=O 584632094 346735914 /nfs/dbraw/zinc/73/59/14/346735914.db2.gz JUJAYGWVDFBENO-QMMMGPOBSA-N 0 0 183.251 1.428 10 0 ADAERN CC[C@@]1(C)C(=O)N(C)c2ncccc21 584632002 346735935 /nfs/dbraw/zinc/73/59/35/346735935.db2.gz FNBDMYRMNYZZNG-LLVKDONJSA-N 0 0 190.246 1.726 10 0 ADAERN CCN1COc2ccccc2C1=O 584632040 346735951 /nfs/dbraw/zinc/73/59/51/346735951.db2.gz FWNVOQJCKJBVMP-UHFFFAOYSA-N 0 0 177.203 1.499 10 0 ADAERN C[C@]1(OC=O)C(=O)Nc2ccccc21 584631561 346735976 /nfs/dbraw/zinc/73/59/76/346735976.db2.gz PAXRJNMUPAWORW-SNVBAGLBSA-N 0 0 191.186 1.027 10 0 ADAERN C[C@@H]1C(=O)Nc2nc3ccccc3n21 584632035 346736001 /nfs/dbraw/zinc/73/60/01/346736001.db2.gz HXIRBAYDIPPCTR-ZCFIWIBFSA-N 0 0 187.202 1.549 10 0 ADAERN c1ccc(N2COCCCOC2)cc1 584631739 346736010 /nfs/dbraw/zinc/73/60/10/346736010.db2.gz QZPANTSYXXARAY-UHFFFAOYSA-N 0 0 193.246 1.845 10 0 ADAERN CCOC(=O)c1nscc1OC 584632139 346736368 /nfs/dbraw/zinc/73/63/68/346736368.db2.gz MHBWPRCYAZWMRY-UHFFFAOYSA-N 0 0 187.220 1.328 10 0 ADAERN CC[C@@H]1C[C@H]2COC(C)(C)N2C1=O 584632790 346736396 /nfs/dbraw/zinc/73/63/96/346736396.db2.gz ZPIXZEHBPWBKIJ-SFYZADRCSA-N 0 0 183.251 1.380 10 0 ADAERN CC[C@H]1C[C@H]2COC(C)(C)N2C1=O 584632794 346736400 /nfs/dbraw/zinc/73/64/00/346736400.db2.gz ZPIXZEHBPWBKIJ-YUMQZZPRSA-N 0 0 183.251 1.380 10 0 ADAERN Cc1cccnc1-n1ccccc1=O 584632338 346736404 /nfs/dbraw/zinc/73/64/04/346736404.db2.gz UQYJTGRFZLBUDK-UHFFFAOYSA-N 0 0 186.214 1.541 10 0 ADAERN CC(C)(C(N)=O)c1ccc(Cl)nc1 584633536 346736408 /nfs/dbraw/zinc/73/64/08/346736408.db2.gz PZKJUFMRYNLWOH-UHFFFAOYSA-N 0 0 198.653 1.498 10 0 ADAERN CCc1cc(C(=O)NC)c(=O)[nH]c1C 584633146 346736410 /nfs/dbraw/zinc/73/64/10/346736410.db2.gz YBYJTCOICDFBGN-UHFFFAOYSA-N 0 0 194.234 1.018 10 0 ADAERN Nc1cnc(OC(F)F)c(Cl)c1 584633583 346736458 /nfs/dbraw/zinc/73/64/58/346736458.db2.gz UGSWTAHGXMVYAH-UHFFFAOYSA-N 0 0 194.568 1.919 10 0 ADAERN O[C@]12CC[C@@H]3C[C@@H]4CC[C@H](O1)[C@H]4[C@H]32 584632455 346736462 /nfs/dbraw/zinc/73/64/62/346736462.db2.gz GLDXCTRLWWCACC-HQPKYVJOSA-N 0 0 180.247 1.530 10 0 ADAERN N=C(N)c1nsc(Cl)c1Cl 584632418 346736463 /nfs/dbraw/zinc/73/64/63/346736463.db2.gz YCXYVGCUMBEQGF-UHFFFAOYSA-N 0 0 196.062 1.734 10 0 ADAERN CCCCCC(O)(C(C)=O)C(C)=O 584632666 346736469 /nfs/dbraw/zinc/73/64/69/346736469.db2.gz OLPQARMYSBYJCJ-UHFFFAOYSA-N 0 0 186.251 1.476 10 0 ADAERN O[C@]12CC[C@@H]3C[C@@H]4CC[C@H](O1)[C@@H]4[C@H]32 584632460 346736471 /nfs/dbraw/zinc/73/64/71/346736471.db2.gz GLDXCTRLWWCACC-QUIJIENNSA-N 0 0 180.247 1.530 10 0 ADAERN CCN1C(=O)c2ccccc2O[C@H]1C 584632467 346736490 /nfs/dbraw/zinc/73/64/90/346736490.db2.gz RFNWUNPOIYWLEH-QMMMGPOBSA-N 0 0 191.230 1.887 10 0 ADAERN O[C@]12CC[C@@H]3C[C@@H]4CC[C@H](O1)[C@@H]4[C@@H]32 584632464 346736491 /nfs/dbraw/zinc/73/64/91/346736491.db2.gz GLDXCTRLWWCACC-ZDZIUTJZSA-N 0 0 180.247 1.530 10 0 ADAERN CCC[C@@H]1CC(=O)N2[C@@H]1COC2(C)C 584632630 346736543 /nfs/dbraw/zinc/73/65/43/346736543.db2.gz UGMHQKFPJMOJRP-RKDXNWHRSA-N 0 0 197.278 1.770 10 0 ADAERN c1ccc2nc(C3CC3)nnc2c1 584632494 346736550 /nfs/dbraw/zinc/73/65/50/346736550.db2.gz UVMSYTYNZJEFOV-UHFFFAOYSA-N 0 0 171.203 1.902 10 0 ADAERN CCOC(=O)/C=C(/CC)N(C)C 584632562 346736552 /nfs/dbraw/zinc/73/65/52/346736552.db2.gz XYZKRPLFKAAOSL-FPLPWBNLSA-N 0 0 171.240 1.405 10 0 ADAERN Cc1cc(Cl)ncc1C(=O)N(C)C 584633249 346736563 /nfs/dbraw/zinc/73/65/63/346736563.db2.gz ZQBXQOWTUYSBQG-UHFFFAOYSA-N 0 0 198.653 1.745 10 0 ADAERN CNC(=O)c1cnc(Cl)cc1C 584633014 346736574 /nfs/dbraw/zinc/73/65/74/346736574.db2.gz UNKHQRBYDTXDHN-UHFFFAOYSA-N 0 0 184.626 1.403 10 0 ADAERN CCN1C(=O)c2ccccc2O[C@@H]1C 584632458 346736579 /nfs/dbraw/zinc/73/65/79/346736579.db2.gz RFNWUNPOIYWLEH-MRVPVSSYSA-N 0 0 191.230 1.887 10 0 ADAERN O[C@]12CC[C@@H]3C[C@@H]4CC[C@H](O1)[C@H]4[C@@H]32 584632463 346736597 /nfs/dbraw/zinc/73/65/97/346736597.db2.gz GLDXCTRLWWCACC-WYVINJBVSA-N 0 0 180.247 1.530 10 0 ADAERN CCNC(=O)c1cc(C)c(C)[nH]c1=O 584633792 346736604 /nfs/dbraw/zinc/73/66/04/346736604.db2.gz CVTOSFJTYSKGQP-UHFFFAOYSA-N 0 0 194.234 1.154 10 0 ADAERN COCC1=C(COC)CCC(=O)CC1 584634417 346736859 /nfs/dbraw/zinc/73/68/59/346736859.db2.gz CMNDITABGTUTPZ-UHFFFAOYSA-N 0 0 198.262 1.719 10 0 ADAERN CCCc1ncccc1C(=O)OC 584634046 346737002 /nfs/dbraw/zinc/73/70/02/346737002.db2.gz OLMZGMPQKLNHEX-UHFFFAOYSA-N 0 0 179.219 1.821 10 0 ADAERN CCN1C(=O)C(=O)c2c(C)cccc21 584636135 346737197 /nfs/dbraw/zinc/73/71/97/346737197.db2.gz ZYHIGLQTAUNKJU-UHFFFAOYSA-N 0 0 189.214 1.544 10 0 ADAERN Cc1oc(=O)c(C)c2c1COC2 584635795 346737215 /nfs/dbraw/zinc/73/72/15/346737215.db2.gz WQNHMMHVCJLQET-UHFFFAOYSA-N 0 0 166.176 1.287 10 0 ADAERN CCOC(=O)c1c[nH]ccc1=S 584636137 346737256 /nfs/dbraw/zinc/73/72/56/346737256.db2.gz APFSXMMODGTYIL-UHFFFAOYSA-N 0 0 183.232 1.921 10 0 ADAERN C=Cc1ccc(-n2cnnc2)cc1 584636041 346737270 /nfs/dbraw/zinc/73/72/70/346737270.db2.gz IJLLLMSHHFVFBH-UHFFFAOYSA-N 0 0 171.203 1.910 10 0 ADAERN O=C1C=C(O)[C@@H](Cc2ccccc2)C1 584635504 346737419 /nfs/dbraw/zinc/73/74/19/346737419.db2.gz PLLVZIZWIIADCI-JTQLQIEISA-N 0 0 188.226 1.777 10 0 ADAERN NC(=O)c1ccc(F)cc1C(F)F 584635888 346737446 /nfs/dbraw/zinc/73/74/46/346737446.db2.gz MKGSCOMGTLXOBU-UHFFFAOYSA-N 0 0 189.136 1.862 10 0 ADAERN O=C1OCC2=C1Cc1ccccc1N2 584635743 346737504 /nfs/dbraw/zinc/73/75/04/346737504.db2.gz OGQVUXRSSMFARX-UHFFFAOYSA-N 0 0 187.198 1.466 10 0 ADAERN O=C1C=C(O)[C@H](Cc2ccccc2)C1 584635505 346737604 /nfs/dbraw/zinc/73/76/04/346737604.db2.gz PLLVZIZWIIADCI-SNVBAGLBSA-N 0 0 188.226 1.777 10 0 ADAERN CN(C)C(=O)Oc1ccc(F)cc1O 584635906 346737627 /nfs/dbraw/zinc/73/76/27/346737627.db2.gz OKDMFDHEJSYRTK-UHFFFAOYSA-N 0 0 199.181 1.592 10 0 ADAERN Cc1ccc2c(c1)OC(C)(C)CN2N 584636016 346737676 /nfs/dbraw/zinc/73/76/76/346737676.db2.gz BHNPQQRJIVNMFA-UHFFFAOYSA-N 0 0 192.262 1.846 10 0 ADAERN COc1cc(C(C)C)c(OC)nn1 584636235 346737919 /nfs/dbraw/zinc/73/79/19/346737919.db2.gz BKSFGBWWRLNRRA-UHFFFAOYSA-N 0 0 182.223 1.617 10 0 ADAERN COC(=O)O[C@H](C)CC(C)(C)O 584636282 346737962 /nfs/dbraw/zinc/73/79/62/346737962.db2.gz PYDZXRHOFKLUGA-ZCFIWIBFSA-N 0 0 176.212 1.319 10 0 ADAERN Cc1cc([C@@H](O)C(F)(F)F)on1 584645655 346740403 /nfs/dbraw/zinc/74/04/03/346740403.db2.gz BCCPHZAZRZKGJO-RXMQYKEDSA-N 0 0 181.113 1.579 10 0 ADAERN C[C@@H]1SCC(=O)OC1(C)C 584636550 346737978 /nfs/dbraw/zinc/73/79/78/346737978.db2.gz HMHBBTZWLYUEMT-YFKPBYRVSA-N 0 0 160.238 1.444 10 0 ADAERN COC(=O)O[C@@H](C)CC(C)(C)O 584636281 346738028 /nfs/dbraw/zinc/73/80/28/346738028.db2.gz PYDZXRHOFKLUGA-LURJTMIESA-N 0 0 176.212 1.319 10 0 ADAERN C[C@H]1SCC(=O)OC1(C)C 584636549 346738034 /nfs/dbraw/zinc/73/80/34/346738034.db2.gz HMHBBTZWLYUEMT-RXMQYKEDSA-N 0 0 160.238 1.444 10 0 ADAERN CC1(C)ON=C(c2ccccc2)N1O 584636245 346738081 /nfs/dbraw/zinc/73/80/81/346738081.db2.gz FTFDHMMLGYSTSR-UHFFFAOYSA-N 0 0 192.218 1.806 10 0 ADAERN NC(=O)c1cncc(C2CC2)c1 584638352 346738238 /nfs/dbraw/zinc/73/82/38/346738238.db2.gz QMPJCKREEILJBR-UHFFFAOYSA-N 0 0 162.192 1.058 10 0 ADAERN CSc1nc2cc(C)nc(C)n2n1 584637625 346738241 /nfs/dbraw/zinc/73/82/41/346738241.db2.gz QIVORQXDVVOOGU-UHFFFAOYSA-N 0 0 194.263 1.463 10 0 ADAERN COC(=O)[C@H]1CC[C@@H]2O[C@H](C)C[C@@H]2C1 584637800 346738302 /nfs/dbraw/zinc/73/83/02/346738302.db2.gz UJQMQZYQLHURAZ-RGOKHQFPSA-N 0 0 198.262 1.753 10 0 ADAERN COC(=O)[C@H]1CC[C@H]2OCC[C@H]2C1 584637833 346738329 /nfs/dbraw/zinc/73/83/29/346738329.db2.gz XPBUMYZOZXAGHS-XHNCKOQMSA-N 0 0 184.235 1.365 10 0 ADAERN CN(C)n1nc2ccc(Cl)cc2n1 584638249 346738421 /nfs/dbraw/zinc/73/84/21/346738421.db2.gz GRLABSUIYAKPSS-UHFFFAOYSA-N 0 0 196.641 1.282 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2O[C@@H](C)C[C@H]2C1 584637798 346738430 /nfs/dbraw/zinc/73/84/30/346738430.db2.gz UJQMQZYQLHURAZ-QCLAVDOMSA-N 0 0 198.262 1.753 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2O[C@H](C)C[C@@H]2C1 584637797 346738433 /nfs/dbraw/zinc/73/84/33/346738433.db2.gz UJQMQZYQLHURAZ-KYXWUPHJSA-N 0 0 198.262 1.753 10 0 ADAERN Cc1c(C=O)ccc2c1COC2=O 584638773 346738460 /nfs/dbraw/zinc/73/84/60/346738460.db2.gz OITSCQTZUMBONU-UHFFFAOYSA-N 0 0 176.171 1.478 10 0 ADAERN CN(C)C(=O)Oc1cc(F)ccc1O 584638435 346738463 /nfs/dbraw/zinc/73/84/63/346738463.db2.gz WVVJASDZSCSOBD-UHFFFAOYSA-N 0 0 199.181 1.592 10 0 ADAERN COC(=O)[C@H]1CC[C@H]2O[C@@H](C)C[C@H]2C1 584637796 346738513 /nfs/dbraw/zinc/73/85/13/346738513.db2.gz UJQMQZYQLHURAZ-AATLWQCWSA-N 0 0 198.262 1.753 10 0 ADAERN O[C@H]1CCc2cc(Cl)ncc21 584638224 346738571 /nfs/dbraw/zinc/73/85/71/346738571.db2.gz XNZHWTSJVNGYGO-ZETCQYMHSA-N 0 0 169.611 1.715 10 0 ADAERN O=C1OCC(c2ccccc2)CO1 584638698 346738582 /nfs/dbraw/zinc/73/85/82/346738582.db2.gz TYLLPALZFPIYFL-UHFFFAOYSA-N 0 0 178.187 1.937 10 0 ADAERN [NH3+][C@@H]1CCc2c(Cl)ccnc21 584638015 346738599 /nfs/dbraw/zinc/73/85/99/346738599.db2.gz CXJFOTJBVXZOOC-SSDOTTSWSA-N 0 0 168.627 1.681 10 0 ADAERN COC(=O)[C@H]1CC[C@@H]2OCC[C@@H]2C1 584637832 346738656 /nfs/dbraw/zinc/73/86/56/346738656.db2.gz XPBUMYZOZXAGHS-VGMNWLOBSA-N 0 0 184.235 1.365 10 0 ADAERN [NH3+][C@H]1CCc2c(Cl)ccnc21 584638016 346738662 /nfs/dbraw/zinc/73/86/62/346738662.db2.gz CXJFOTJBVXZOOC-ZETCQYMHSA-N 0 0 168.627 1.681 10 0 ADAERN CC(C)Cc1cncc(C(N)=O)c1 584638968 346738835 /nfs/dbraw/zinc/73/88/35/346738835.db2.gz ZYPSWTKPNDMGCB-UHFFFAOYSA-N 0 0 178.235 1.379 10 0 ADAERN CC[C@@](O)(c1c[nH]cn1)C(F)(F)F 584644993 346740656 /nfs/dbraw/zinc/74/06/56/346740656.db2.gz OQPRPBKVACUFSX-ZCFIWIBFSA-N 0 0 194.156 1.570 10 0 ADAERN Cc1cccc2c1OS(=O)(=O)N=C2 584640908 346739194 /nfs/dbraw/zinc/73/91/94/346739194.db2.gz QBHBICXWCFHHKL-UHFFFAOYSA-N 0 0 197.215 1.051 10 0 ADAERN CCc1nc2cc(Cl)nc(C)n2n1 584640325 346739197 /nfs/dbraw/zinc/73/91/97/346739197.db2.gz YTURXINVCUUWEZ-UHFFFAOYSA-N 0 0 196.641 1.649 10 0 ADAERN CON1C=CCc2ccsc2C1=O 584640247 346739215 /nfs/dbraw/zinc/73/92/15/346739215.db2.gz JDVUBGMHNDYTCI-UHFFFAOYSA-N 0 0 195.243 1.822 10 0 ADAERN COc1cccc2ncc(=O)oc12 584640885 346739227 /nfs/dbraw/zinc/73/92/27/346739227.db2.gz JVJHIHFSRATGDT-UHFFFAOYSA-N 0 0 177.159 1.197 10 0 ADAERN C=Cc1cc2c(cc1N)OCCO2 584640484 346739298 /nfs/dbraw/zinc/73/92/98/346739298.db2.gz PXICYBQWGLXMQQ-UHFFFAOYSA-N 0 0 177.203 1.683 10 0 ADAERN CCCCOc1nccn2cnnc12 584640939 346739312 /nfs/dbraw/zinc/73/93/12/346739312.db2.gz UHPIOYKHFBXFBL-UHFFFAOYSA-N 0 0 192.222 1.303 10 0 ADAERN O=C1CCc2cc(Cl)ncc21 584640233 346739386 /nfs/dbraw/zinc/73/93/86/346739386.db2.gz IFLYOMGKTMVBHU-UHFFFAOYSA-N 0 0 167.595 1.864 10 0 ADAERN CCOc1cccc2ccc[n+]([O-])c12 584640961 346739389 /nfs/dbraw/zinc/73/93/89/346739389.db2.gz XKYDUXDKWDDXKR-UHFFFAOYSA-N 0 0 189.214 1.872 10 0 ADAERN Cc1ccn2c(=O)cccc2c1 584640937 346739396 /nfs/dbraw/zinc/73/93/96/346739396.db2.gz UCSUNNUUBQCINQ-UHFFFAOYSA-N 0 0 159.188 1.608 10 0 ADAERN Cc1c[nH]c(=O)c2occc12 584641695 346739420 /nfs/dbraw/zinc/73/94/20/346739420.db2.gz IAQUQBKWEQPCIJ-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN CC1=N[C@@H]2c3ccccc3OC[C@@H]2O1 584641209 346739424 /nfs/dbraw/zinc/73/94/24/346739424.db2.gz ZCPXNLDXSGXIHH-WDEREUQCSA-N 0 0 189.214 1.937 10 0 ADAERN O=C1CCC(c2cnc(=O)[nH]c2)CC1 584644596 346739650 /nfs/dbraw/zinc/73/96/50/346739650.db2.gz HFFUFVYWWUSSRW-UHFFFAOYSA-N 0 0 192.218 1.409 10 0 ADAERN Nc1cc2c(=O)[nH]ccc2cc1F 584642597 346739812 /nfs/dbraw/zinc/73/98/12/346739812.db2.gz RMLPCPQCBZOFHS-UHFFFAOYSA-N 0 0 178.166 1.662 10 0 ADAERN CCC[S@](=O)(=S)O[C@H](C)CC 584643302 346739880 /nfs/dbraw/zinc/73/98/80/346739880.db2.gz WDORXHJINCAGJG-RDDDGLTNSA-N 0 0 196.337 1.873 10 0 ADAERN CC(C)c1oncc1CCCO 584644577 346739900 /nfs/dbraw/zinc/73/99/00/346739900.db2.gz DCYMUAZBWPXTKI-UHFFFAOYSA-N 0 0 169.224 1.723 10 0 ADAERN Oc1ccc(F)c2c1OCC2 584643326 346739917 /nfs/dbraw/zinc/73/99/17/346739917.db2.gz NNKRBFBPBIDIEK-UHFFFAOYSA-N 0 0 154.140 1.466 10 0 ADAERN CCC[S@@](=O)(=S)O[C@H](C)CC 584643301 346739936 /nfs/dbraw/zinc/73/99/36/346739936.db2.gz WDORXHJINCAGJG-HQJQHLMTSA-N 0 0 196.337 1.873 10 0 ADAERN Cc1c(O)cccc1-n1cccn1 584643738 346739953 /nfs/dbraw/zinc/73/99/53/346739953.db2.gz XSETVGBHVYAQOZ-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CCCCCN(OC)OC 584643247 346739996 /nfs/dbraw/zinc/73/99/96/346739996.db2.gz POTRQJUEYLHRNC-UHFFFAOYSA-N 0 0 147.218 1.601 10 0 ADAERN CCC[S@](=O)(=S)O[C@@H](C)CC 584643303 346740003 /nfs/dbraw/zinc/74/00/03/346740003.db2.gz WDORXHJINCAGJG-WRWORJQWSA-N 0 0 196.337 1.873 10 0 ADAERN CON(C)C(=O)CCC=C(C)C 584643240 346740012 /nfs/dbraw/zinc/74/00/12/346740012.db2.gz OMSICMLGOLXLEY-UHFFFAOYSA-N 0 0 171.240 1.753 10 0 ADAERN OCCc1cccc(OC2CCC2)n1 584644597 346740053 /nfs/dbraw/zinc/74/00/53/346740053.db2.gz HNOVXNLYKAPEBC-UHFFFAOYSA-N 0 0 193.246 1.548 10 0 ADAERN OC(O)/C=C/c1ccc(Cl)cc1 584644664 346740067 /nfs/dbraw/zinc/74/00/67/346740067.db2.gz QONHAYARZFFVGM-ZZXKWVIFSA-N 0 0 184.622 1.664 10 0 ADAERN CCC[S@@](=O)(=S)O[C@@H](C)CC 584643300 346740077 /nfs/dbraw/zinc/74/00/77/346740077.db2.gz WDORXHJINCAGJG-CPCISQLKSA-N 0 0 196.337 1.873 10 0 ADAERN NNC1=C(Cl)CCC=C1Cl 584644649 346740092 /nfs/dbraw/zinc/74/00/92/346740092.db2.gz OCEALGWBQDBIRZ-UHFFFAOYSA-N 0 0 179.050 1.817 10 0 ADAERN OCc1cc2c(s1)COC2 584645744 346740359 /nfs/dbraw/zinc/74/03/59/346740359.db2.gz DXRVGMVZIBVRFW-UHFFFAOYSA-N 0 0 156.206 1.271 10 0 ADAERN COc1c(F)ccc(O)c1C 584645782 346740384 /nfs/dbraw/zinc/74/03/84/346740384.db2.gz FDMMSPZTERTYKG-UHFFFAOYSA-N 0 0 156.156 1.848 10 0 ADAERN Cc1cc([C@H](O)C(F)(F)F)on1 584645661 346740429 /nfs/dbraw/zinc/74/04/29/346740429.db2.gz BCCPHZAZRZKGJO-YFKPBYRVSA-N 0 0 181.113 1.579 10 0 ADAERN CC(=O)O[C@H]1CCCCCCO1 584644980 346740451 /nfs/dbraw/zinc/74/04/51/346740451.db2.gz GWKDLBVHHIHSOM-VIFPVBQESA-N 0 0 172.224 1.856 10 0 ADAERN CC(=O)O[C@@H]1CCCCCCO1 584644979 346740462 /nfs/dbraw/zinc/74/04/62/346740462.db2.gz GWKDLBVHHIHSOM-SECBINFHSA-N 0 0 172.224 1.856 10 0 ADAERN CCNC(=O)[C@H](C)c1ccc(O)cc1 584645943 346740562 /nfs/dbraw/zinc/74/05/62/346740562.db2.gz HAKSUFDUWRFZKZ-MRVPVSSYSA-N 0 0 193.246 1.632 10 0 ADAERN Cc1cn2cc(N)cc(F)c2n1 584645652 346740584 /nfs/dbraw/zinc/74/05/84/346740584.db2.gz BBPKDGDAQXCEKL-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN CCNC(=O)[C@@H](C)c1ccc(O)cc1 584645945 346740615 /nfs/dbraw/zinc/74/06/15/346740615.db2.gz HAKSUFDUWRFZKZ-QMMMGPOBSA-N 0 0 193.246 1.632 10 0 ADAERN CC[C@](O)(c1c[nH]cn1)C(F)(F)F 584644991 346740616 /nfs/dbraw/zinc/74/06/16/346740616.db2.gz OQPRPBKVACUFSX-LURJTMIESA-N 0 0 194.156 1.570 10 0 ADAERN CCOC(=O)/C=C1/CC=COC1 584645394 346740620 /nfs/dbraw/zinc/74/06/20/346740620.db2.gz QKDFMMUCQNYHMD-VURMDHGXSA-N 0 0 168.192 1.410 10 0 ADAERN Cc1nc2c(F)cc(N)cc2o1 584645778 346740678 /nfs/dbraw/zinc/74/06/78/346740678.db2.gz FCYIOJFFULKXCL-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN CNc1ccn(C)c1C(=O)NC(C)C 584647416 346741299 /nfs/dbraw/zinc/74/12/99/346741299.db2.gz QMUVFTZJVSGKTC-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN COC(=O)[C@H]1N=C(C2(C)CC2)O[C@@H]1C 584647280 346741420 /nfs/dbraw/zinc/74/14/20/346741420.db2.gz VZHVCKQXFDBIDQ-RQJHMYQMSA-N 0 0 197.234 1.145 10 0 ADAERN Cc1c(Cl)cccc1CNC(N)=O 584647252 346741196 /nfs/dbraw/zinc/74/11/96/346741196.db2.gz TXLOXIGSPCFSLP-UHFFFAOYSA-N 0 0 198.653 1.817 10 0 ADAERN CCOC(=O)c1ncn(C)c1CC 584647353 346741207 /nfs/dbraw/zinc/74/12/07/346741207.db2.gz XXGXAHFZGSPQPR-UHFFFAOYSA-N 0 0 182.223 1.159 10 0 ADAERN CC[S@@](=O)Nc1ccc(OC)cc1 584647375 346741219 /nfs/dbraw/zinc/74/12/19/346741219.db2.gz YRWRPPKUWJIAFX-CYBMUJFWSA-N 0 0 199.275 1.791 10 0 ADAERN COC(=O)[C@@H]1N=C(C2(C)CC2)O[C@@H]1C 584647278 346741226 /nfs/dbraw/zinc/74/12/26/346741226.db2.gz VZHVCKQXFDBIDQ-RNFRBKRXSA-N 0 0 197.234 1.145 10 0 ADAERN C=Cc1ccccc1C(=O)NOC 584647707 346741232 /nfs/dbraw/zinc/74/12/32/346741232.db2.gz JXCMPILTFVWJGG-UHFFFAOYSA-N 0 0 177.203 1.621 10 0 ADAERN CC[S@](=O)Nc1ccc(OC)cc1 584647379 346741237 /nfs/dbraw/zinc/74/12/37/346741237.db2.gz YRWRPPKUWJIAFX-ZDUSSCGKSA-N 0 0 199.275 1.791 10 0 ADAERN Cc1cnn(-c2ccncc2F)c1 584647204 346741265 /nfs/dbraw/zinc/74/12/65/346741265.db2.gz DWIWJJRWUGNABU-UHFFFAOYSA-N 0 0 177.182 1.715 10 0 ADAERN COC1(c2c[nH]cn2)CC1 584647209 346741304 /nfs/dbraw/zinc/74/13/04/346741304.db2.gz LUYGTJHJUFINNS-UHFFFAOYSA-N 0 0 138.170 1.045 10 0 ADAERN C=Cc1cc(OC)ccc1NC=O 584647000 346741337 /nfs/dbraw/zinc/74/13/37/346741337.db2.gz MYEHRKDTKIZVGR-UHFFFAOYSA-N 0 0 177.203 1.907 10 0 ADAERN COC(=O)[C@H]1N=C(C2(C)CC2)O[C@H]1C 584647276 346741343 /nfs/dbraw/zinc/74/13/43/346741343.db2.gz VZHVCKQXFDBIDQ-BQBZGAKWSA-N 0 0 197.234 1.145 10 0 ADAERN CC(=O)N[C@H](C)c1ccc(O)cc1F 584647215 346741353 /nfs/dbraw/zinc/74/13/53/346741353.db2.gz LYCIVKRWPKVGQP-ZCFIWIBFSA-N 0 0 197.209 1.728 10 0 ADAERN COC(=O)[C@@H]1N=C(C2(C)CC2)O[C@H]1C 584647277 346741360 /nfs/dbraw/zinc/74/13/60/346741360.db2.gz VZHVCKQXFDBIDQ-NKWVEPMBSA-N 0 0 197.234 1.145 10 0 ADAERN CCN(CC)n1nc2ccccc2n1 584647242 346741395 /nfs/dbraw/zinc/74/13/95/346741395.db2.gz NXLKCUDOOMUZEB-UHFFFAOYSA-N 0 0 190.250 1.409 10 0 ADAERN CC(=O)N[C@@H](C)c1ccc(O)cc1F 584647212 346741400 /nfs/dbraw/zinc/74/14/00/346741400.db2.gz LYCIVKRWPKVGQP-LURJTMIESA-N 0 0 197.209 1.728 10 0 ADAERN C[Si](C)(C)NC(=O)n1ccnc1 584647214 346741413 /nfs/dbraw/zinc/74/14/13/346741413.db2.gz FRYHSCAQEROOMH-UHFFFAOYSA-N 0 0 183.287 1.276 10 0 ADAERN CC(=O)[C@H]1CN1C(=O)OC(C)(C)C 584647115 346741466 /nfs/dbraw/zinc/74/14/66/346741466.db2.gz YQTPABYZZPWSGM-PVSHWOEXSA-N 0 0 185.223 1.195 10 0 ADAERN CO[P@](C)(=O)c1ccc(N)cc1 584646979 346741471 /nfs/dbraw/zinc/74/14/71/346741471.db2.gz KRTYIRYSUOASEI-LBPRGKRZSA-N 0 0 185.163 1.448 10 0 ADAERN O=NN(O)c1c[nH]c2ccccc12 584647748 346741477 /nfs/dbraw/zinc/74/14/77/346741477.db2.gz WDPYHOKCCXCMJL-UHFFFAOYSA-N 0 0 178.171 1.472 10 0 ADAERN CONC(=O)n1ccc2ccccc21 584647300 346741527 /nfs/dbraw/zinc/74/15/27/346741527.db2.gz 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/nfs/dbraw/zinc/74/58/32/346745832.db2.gz NPMAKCQHQZSPCF-RDDDGLTNSA-N 0 0 169.249 1.370 10 0 ADAERN C/C=C1/OC(=O)[C@@H]1CC 584660091 346745870 /nfs/dbraw/zinc/74/58/70/346745870.db2.gz TVPRZYCVTBQYTN-YWSOBTQUSA-N 0 0 126.155 1.473 10 0 ADAERN C[C@H](c1ccccc1)[S@@](N)=O 584659526 346745925 /nfs/dbraw/zinc/74/59/25/346745925.db2.gz NPMAKCQHQZSPCF-HQJQHLMTSA-N 0 0 169.249 1.370 10 0 ADAERN CCc1cc(CC)n(C(C)=O)n1 584659196 346745988 /nfs/dbraw/zinc/74/59/88/346745988.db2.gz CHKTWIDTKDCFKP-UHFFFAOYSA-N 0 0 166.224 1.668 10 0 ADAERN C[C@@H](c1ccccc1)[S@@](N)=O 584659518 346746013 /nfs/dbraw/zinc/74/60/13/346746013.db2.gz NPMAKCQHQZSPCF-CPCISQLKSA-N 0 0 169.249 1.370 10 0 ADAERN CC/C(=C\N(C)C)[N+](=O)[O-] 584659557 346746018 /nfs/dbraw/zinc/74/60/18/346746018.db2.gz XOBPIGYGFHJOSP-AATRIKPKSA-N 0 0 144.174 1.076 10 0 ADAERN C=CO[C@@H]1CC1(C)C 584659533 346746033 /nfs/dbraw/zinc/74/60/33/346746033.db2.gz PHYCXXVHPRPXSQ-ZCFIWIBFSA-N 0 0 112.172 1.945 10 0 ADAERN CCCCN(C(N)=O)c1ccccn1 584660753 346746344 /nfs/dbraw/zinc/74/63/44/346746344.db2.gz MQEKVSMRFIELOF-UHFFFAOYSA-N 0 0 193.250 1.767 10 0 ADAERN C[C@H]1N=C(c2ccccc2F)OC1=O 584660748 346746384 /nfs/dbraw/zinc/74/63/84/346746384.db2.gz LMOCMCVFQPPHSH-ZCFIWIBFSA-N 0 0 193.177 1.518 10 0 ADAERN C[C@@H]1N=C(c2ccccc2F)OC1=O 584660746 346746660 /nfs/dbraw/zinc/74/66/60/346746660.db2.gz LMOCMCVFQPPHSH-LURJTMIESA-N 0 0 193.177 1.518 10 0 ADAERN CC(=O)c1ccc2c(c1)NC(=O)[C@@H]2C 584660897 346746487 /nfs/dbraw/zinc/74/64/87/346746487.db2.gz UDTBDCXBRPDBAE-ZCFIWIBFSA-N 0 0 189.214 1.945 10 0 ADAERN CC(=O)c1ccc2c(c1)NC(=O)[C@H]2C 584660893 346746491 /nfs/dbraw/zinc/74/64/91/346746491.db2.gz UDTBDCXBRPDBAE-LURJTMIESA-N 0 0 189.214 1.945 10 0 ADAERN C/C=C1/CCOC(=O)CC1 584660958 346746504 /nfs/dbraw/zinc/74/65/04/346746504.db2.gz YCEKHMFXAAKAPG-FARCUNLSSA-N 0 0 140.182 1.660 10 0 ADAERN CC(=O)c1cc2occc2[n+]([O-])c1 584660693 346746556 /nfs/dbraw/zinc/74/65/56/346746556.db2.gz DIRUXSRZJRAAPD-UHFFFAOYSA-N 0 0 177.159 1.269 10 0 ADAERN CC(C)(C)N(C(N)=O)c1ccccn1 584660698 346746676 /nfs/dbraw/zinc/74/66/76/346746676.db2.gz FRTJWBKECUTUQT-UHFFFAOYSA-N 0 0 193.250 1.765 10 0 ADAERN CC(C)(C)OC(=O)N1CCO1 584880145 346747217 /nfs/dbraw/zinc/74/72/17/346747217.db2.gz WFZPCVCAWZYSLS-UHFFFAOYSA-N 0 0 159.185 1.169 10 0 ADAERN O[C@@H]1[C@@H]2CCCO[C@H]2C12CCCC2 584880646 346747639 /nfs/dbraw/zinc/74/76/39/346747639.db2.gz GFSQZGHPHNLPTO-IVZWLZJFSA-N 0 0 182.263 1.717 10 0 ADAERN CCS(=O)(=O)c1ccnc(F)c1 584880791 346747677 /nfs/dbraw/zinc/74/76/77/346747677.db2.gz FUGLNGJLZXMXEI-UHFFFAOYSA-N 0 0 189.211 1.014 10 0 ADAERN O[C@@H]1[C@@H]2CCCO[C@@H]2C12CCCC2 584880642 346747735 /nfs/dbraw/zinc/74/77/35/346747735.db2.gz GFSQZGHPHNLPTO-AEJSXWLSSA-N 0 0 182.263 1.717 10 0 ADAERN O[C@@H]1[C@H]2CCCO[C@H]2C12CCCC2 584880649 346747741 /nfs/dbraw/zinc/74/77/41/346747741.db2.gz GFSQZGHPHNLPTO-OPRDCNLKSA-N 0 0 182.263 1.717 10 0 ADAERN CCc1coc(COC)n1 584880427 346747810 /nfs/dbraw/zinc/74/78/10/346747810.db2.gz ASIQXSULTGRVNJ-UHFFFAOYSA-N 0 0 141.170 1.383 10 0 ADAERN C[C@H](O)CCc1ccc(N)cc1 584880486 346747823 /nfs/dbraw/zinc/74/78/23/346747823.db2.gz DOVNJPHPISDHDP-QMMMGPOBSA-N 0 0 165.236 1.582 10 0 ADAERN O[C@@H]1[C@H]2CCCO[C@@H]2C12CCCC2 584880645 346747842 /nfs/dbraw/zinc/74/78/42/346747842.db2.gz GFSQZGHPHNLPTO-BBBLOLIVSA-N 0 0 182.263 1.717 10 0 ADAERN C[C@@H](O)CCc1ccc(N)cc1 584880484 346747866 /nfs/dbraw/zinc/74/78/66/346747866.db2.gz DOVNJPHPISDHDP-MRVPVSSYSA-N 0 0 165.236 1.582 10 0 ADAERN O[C@@H]1[C@H]2CCCO[C@@H]2C12CCC2 584881335 346748201 /nfs/dbraw/zinc/74/82/01/346748201.db2.gz RSVWQAQDEMQIOZ-HLTSFMKQSA-N 0 0 168.236 1.326 10 0 ADAERN O[C@@H]1[C@@H]2CCCO[C@H]2C12CCC2 584881331 346748239 /nfs/dbraw/zinc/74/82/39/346748239.db2.gz RSVWQAQDEMQIOZ-DJLDLDEBSA-N 0 0 168.236 1.326 10 0 ADAERN NC(=S)C[C@H]1CCSC1 584880951 346748299 /nfs/dbraw/zinc/74/82/99/346748299.db2.gz JISBKOKZCFYZIJ-RXMQYKEDSA-N 0 0 161.295 1.416 10 0 ADAERN O[C@@H]1[C@H]2CCCO[C@H]2C12CCC2 584881337 346748407 /nfs/dbraw/zinc/74/84/07/346748407.db2.gz RSVWQAQDEMQIOZ-IWSPIJDZSA-N 0 0 168.236 1.326 10 0 ADAERN OC[C@@H]1[C@H]2CCCO[C@@H]2C12CCCC2 584881431 346748417 /nfs/dbraw/zinc/74/84/17/346748417.db2.gz UBFDLKKFPVTNEA-MXWKQRLJSA-N 0 0 196.290 1.964 10 0 ADAERN NC(=S)C[C@@H]1CCSC1 584880955 346748432 /nfs/dbraw/zinc/74/84/32/346748432.db2.gz JISBKOKZCFYZIJ-YFKPBYRVSA-N 0 0 161.295 1.416 10 0 ADAERN OC[C@@H]1[C@H]2CCCO[C@H]2C12CCCC2 584881427 346748451 /nfs/dbraw/zinc/74/84/51/346748451.db2.gz UBFDLKKFPVTNEA-GMTAPVOTSA-N 0 0 196.290 1.964 10 0 ADAERN OC[C@@H]1[C@@H]2CCCO[C@H]2C12CCCC2 584881429 346748486 /nfs/dbraw/zinc/74/84/86/346748486.db2.gz UBFDLKKFPVTNEA-HBNTYKKESA-N 0 0 196.290 1.964 10 0 ADAERN OC[C@@H]1[C@@H]2CCCO[C@@H]2C12CCCC2 584881424 346748523 /nfs/dbraw/zinc/74/85/23/346748523.db2.gz UBFDLKKFPVTNEA-AXFHLTTASA-N 0 0 196.290 1.964 10 0 ADAERN O=C1[C@@H]2CCCO[C@@H]2C12CCCC2 584881597 346749057 /nfs/dbraw/zinc/74/90/57/346749057.db2.gz XAFFOZSOYNVJPJ-WPRPVWTQSA-N 0 0 180.247 1.925 10 0 ADAERN CCS(=O)(=O)c1cccnc1F 584881616 346748862 /nfs/dbraw/zinc/74/88/62/346748862.db2.gz YKMPOKKTUQJEKY-UHFFFAOYSA-N 0 0 189.211 1.014 10 0 ADAERN CC1(C)CNC(=O)c2ncsc2C1 584881825 346748891 /nfs/dbraw/zinc/74/88/91/346748891.db2.gz RUKWNRPTZZMWSF-UHFFFAOYSA-N 0 0 196.275 1.455 10 0 ADAERN NC(=S)C1CC2(CC2)C1 584881490 346749010 /nfs/dbraw/zinc/74/90/10/346749010.db2.gz SQBMOCQXPODJFN-UHFFFAOYSA-N 0 0 141.239 1.463 10 0 ADAERN O=C1[C@@H]2CCCO[C@H]2C12CCCC2 584881596 346749012 /nfs/dbraw/zinc/74/90/12/346749012.db2.gz XAFFOZSOYNVJPJ-WCBMZHEXSA-N 0 0 180.247 1.925 10 0 ADAERN Cn1nc(-c2ncco2)cc1Cl 584881556 346749093 /nfs/dbraw/zinc/74/90/93/346749093.db2.gz LMCDWZBWPXPHNB-UHFFFAOYSA-N 0 0 183.598 1.729 10 0 ADAERN CCn1ncc2c(NC)c(N)cnc21 584881841 346749156 /nfs/dbraw/zinc/74/91/56/346749156.db2.gz DSBBTCBTEHXEST-UHFFFAOYSA-N 0 0 191.238 1.075 10 0 ADAERN Cc1ccc2c(N)c(N)cnc2c1F 584881865 346749181 /nfs/dbraw/zinc/74/91/81/346749181.db2.gz FXWHUSPEEGHRLI-UHFFFAOYSA-N 0 0 191.209 1.847 10 0 ADAERN Cc1cc(C(N)=S)cc(F)n1 584881957 346749190 /nfs/dbraw/zinc/74/91/90/346749190.db2.gz UPMFWOCVIOXOEP-UHFFFAOYSA-N 0 0 170.212 1.163 10 0 ADAERN O=C1[C@H]2CCCO[C@@H]2C12CCCC2 584881594 346749194 /nfs/dbraw/zinc/74/91/94/346749194.db2.gz XAFFOZSOYNVJPJ-SCZZXKLOSA-N 0 0 180.247 1.925 10 0 ADAERN O=C1[C@H]2CCCO[C@H]2C12CCCC2 584881585 346749195 /nfs/dbraw/zinc/74/91/95/346749195.db2.gz XAFFOZSOYNVJPJ-PSASIEDQSA-N 0 0 180.247 1.925 10 0 ADAERN Nc1ccc(Cl)c(C=O)c1F 584881964 346749222 /nfs/dbraw/zinc/74/92/22/346749222.db2.gz UUUOZECHUGAZQJ-UHFFFAOYSA-N 0 0 173.574 1.874 10 0 ADAERN CNc1c(N)cnc2c(F)cccc12 584882422 346749556 /nfs/dbraw/zinc/74/95/56/346749556.db2.gz GRDFIJJEYMWKPT-UHFFFAOYSA-N 0 0 191.209 1.420 10 0 ADAERN OCC1(C[C@H]2CO2)CCCCC1 584882595 346749654 /nfs/dbraw/zinc/74/96/54/346749654.db2.gz PQKCTORGFBEAKU-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN CC(C)n1ncc2c(N)c(N)cnc21 584882189 346749659 /nfs/dbraw/zinc/74/96/59/346749659.db2.gz SMMKZWUGBJBUGD-UHFFFAOYSA-N 0 0 191.238 1.177 10 0 ADAERN OCC1(C[C@@H]2CO2)CCCCC1 584882594 346749782 /nfs/dbraw/zinc/74/97/82/346749782.db2.gz PQKCTORGFBEAKU-SECBINFHSA-N 0 0 170.252 1.718 10 0 ADAERN Nc1cnc2c(F)c(F)ccc2c1N 584882377 346749801 /nfs/dbraw/zinc/74/98/01/346749801.db2.gz FEKGPOLDQDANKC-UHFFFAOYSA-N 0 0 195.172 1.677 10 0 ADAERN CCc1nn(C)c2ncc(C=O)cc12 584882361 346749863 /nfs/dbraw/zinc/74/98/63/346749863.db2.gz DVBRLCNVJSGRCH-UHFFFAOYSA-N 0 0 189.218 1.343 10 0 ADAERN Cc1ccc2c(N)c(N)cnc2n1 584882288 346749865 /nfs/dbraw/zinc/74/98/65/346749865.db2.gz ZLQBILVILQPOMT-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN CCNc1ccc(OC)cc1C=O 584882331 346749866 /nfs/dbraw/zinc/74/98/66/346749866.db2.gz BYBVXOVNIISZBR-UHFFFAOYSA-N 0 0 179.219 1.940 10 0 ADAERN CNc1c(N)cnc2nc(C)ccc12 584882146 346749917 /nfs/dbraw/zinc/74/99/17/346749917.db2.gz PESDEIPOANOBGI-UHFFFAOYSA-N 0 0 188.234 1.562 10 0 ADAERN CC[C@@](O)(C[C@@H]1CO1)C1CC1 584882940 346750138 /nfs/dbraw/zinc/75/01/38/346750138.db2.gz AXAVQNMROPKDKW-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN O=c1s[nH]c2c(F)cccc12 584882781 346750162 /nfs/dbraw/zinc/75/01/62/346750162.db2.gz RAZBKMQXHVZJLU-UHFFFAOYSA-N 0 0 169.180 1.729 10 0 ADAERN COc1cc(C)cc(C(N)=S)c1C 584882674 346750192 /nfs/dbraw/zinc/75/01/92/346750192.db2.gz XEEQHOSVNIESQB-UHFFFAOYSA-N 0 0 195.287 1.946 10 0 ADAERN O=c1s[nH]c2ccc(F)cc12 584882849 346750215 /nfs/dbraw/zinc/75/02/15/346750215.db2.gz WRKWBWGAXUGUNG-UHFFFAOYSA-N 0 0 169.180 1.729 10 0 ADAERN CC[C@@](O)(C[C@H]1CO1)C1CC1 584882938 346750324 /nfs/dbraw/zinc/75/03/24/346750324.db2.gz AXAVQNMROPKDKW-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@](O)(C[C@H]1CO1)C1CC1 584882939 346750339 /nfs/dbraw/zinc/75/03/39/346750339.db2.gz AXAVQNMROPKDKW-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN O=c1s[nH]c2cc(F)ccc12 584882769 346750348 /nfs/dbraw/zinc/75/03/48/346750348.db2.gz QFDPYENUOJMNHV-UHFFFAOYSA-N 0 0 169.180 1.729 10 0 ADAERN CCOC(=O)c1nc[nH]c1C(F)F 584883004 346750478 /nfs/dbraw/zinc/75/04/78/346750478.db2.gz DMPGYHKQZISTQG-UHFFFAOYSA-N 0 0 190.149 1.524 10 0 ADAERN COc1cccc2c(N)c(N)cnc12 584882853 346750584 /nfs/dbraw/zinc/75/05/84/346750584.db2.gz WWQYWBGBOAGCGO-UHFFFAOYSA-N 0 0 189.218 1.408 10 0 ADAERN O=c1s[nH]c2cc(F)c(F)cc12 584882839 346750592 /nfs/dbraw/zinc/75/05/92/346750592.db2.gz WCADKLBFUDUSOT-UHFFFAOYSA-N 0 0 187.170 1.868 10 0 ADAERN Cc1ccc(F)c2ncc(N)c(N)c12 584882813 346750602 /nfs/dbraw/zinc/75/06/02/346750602.db2.gz UCFZTVZKTOKMAY-UHFFFAOYSA-N 0 0 191.209 1.677 10 0 ADAERN CC[C@](O)(C[C@@H]1CO1)C1CC1 584882937 346750615 /nfs/dbraw/zinc/75/06/15/346750615.db2.gz AXAVQNMROPKDKW-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@H](C)[C@](C)(O)C[C@H]1CO1 584883627 346751540 /nfs/dbraw/zinc/75/15/40/346751540.db2.gz XLRGRBREPPCYDV-XHNCKOQMSA-N 0 0 158.241 1.572 10 0 ADAERN c1cc2nncn2cc1NC1CC1 584883504 346751546 /nfs/dbraw/zinc/75/15/46/346751546.db2.gz QNZFJTSSIFHQLF-UHFFFAOYSA-N 0 0 174.207 1.304 10 0 ADAERN CC[C@](O)(C[C@H]1CO1)C(C)(C)C 584883502 346751571 /nfs/dbraw/zinc/75/15/71/346751571.db2.gz QKFOQQZPPPRBSH-WPRPVWTQSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@@](O)(C[C@H]1CO1)C(C)(C)C 584883501 346751577 /nfs/dbraw/zinc/75/15/77/346751577.db2.gz QKFOQQZPPPRBSH-WCBMZHEXSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@](O)(C[C@H]1CO1)C(C)C 584883538 346751581 /nfs/dbraw/zinc/75/15/81/346751581.db2.gz RSSACDPIYMTQEG-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@H](C)[C@@](C)(O)C[C@@H]1CO1 584883628 346751637 /nfs/dbraw/zinc/75/16/37/346751637.db2.gz XLRGRBREPPCYDV-YIZRAAEISA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@](O)(C[C@@H]1CO1)C(C)(C)C 584883500 346751589 /nfs/dbraw/zinc/75/15/89/346751589.db2.gz QKFOQQZPPPRBSH-SCZZXKLOSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@](O)(CC1CC1)C[C@H]1CO1 584883513 346751592 /nfs/dbraw/zinc/75/15/92/346751592.db2.gz QSVQBFVRWRUIRS-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@H](C)[C@](C)(O)C[C@@H]1CO1 584883626 346751625 /nfs/dbraw/zinc/75/16/25/346751625.db2.gz XLRGRBREPPCYDV-DJLDLDEBSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@](O)(CC1CC1)C[C@@H]1CO1 584883514 346751645 /nfs/dbraw/zinc/75/16/45/346751645.db2.gz QSVQBFVRWRUIRS-RKDXNWHRSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@@](O)(C[C@@H]1CO1)C(C)(C)C 584883499 346751649 /nfs/dbraw/zinc/75/16/49/346751649.db2.gz QKFOQQZPPPRBSH-PSASIEDQSA-N 0 0 172.268 1.963 10 0 ADAERN CC[C@@](O)(C[C@H]1CO1)C(C)C 584883537 346751657 /nfs/dbraw/zinc/75/16/57/346751657.db2.gz RSSACDPIYMTQEG-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)C(O)(C[C@@H]1CO1)C(C)C 584883588 346751683 /nfs/dbraw/zinc/75/16/83/346751683.db2.gz VXPAHNJABDOFAP-SECBINFHSA-N 0 0 172.268 1.818 10 0 ADAERN O=C1CCCn2nc(C3CC3)cc21 584883555 346751685 /nfs/dbraw/zinc/75/16/85/346751685.db2.gz SYXCRKNIFLWTOU-UHFFFAOYSA-N 0 0 176.219 1.737 10 0 ADAERN C[C@](O)(CC1CC1)C[C@@H]1CO1 584883511 346751707 /nfs/dbraw/zinc/75/17/07/346751707.db2.gz QSVQBFVRWRUIRS-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN CC[C@](O)(C[C@@H]1CO1)C(C)C 584883536 346751735 /nfs/dbraw/zinc/75/17/35/346751735.db2.gz RSSACDPIYMTQEG-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)C(O)(C[C@H]1CO1)C(C)C 584883589 346751738 /nfs/dbraw/zinc/75/17/38/346751738.db2.gz VXPAHNJABDOFAP-VIFPVBQESA-N 0 0 172.268 1.818 10 0 ADAERN CC[C@H](C)[C@@](C)(O)C[C@H]1CO1 584883625 346751756 /nfs/dbraw/zinc/75/17/56/346751756.db2.gz XLRGRBREPPCYDV-CIUDSAMLSA-N 0 0 158.241 1.572 10 0 ADAERN CC[C@@](O)(C[C@@H]1CO1)C(C)C 584883539 346751838 /nfs/dbraw/zinc/75/18/38/346751838.db2.gz RSSACDPIYMTQEG-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN F[C@@]12CC[C@@H](CN1)C2 584883938 346752328 /nfs/dbraw/zinc/75/23/28/346752328.db2.gz CQIBSAQBDRPJRE-RITPCOANSA-N 0 0 115.151 1.056 10 0 ADAERN CC(C)c1cc(Cl)c2nncn2n1 585139725 346752764 /nfs/dbraw/zinc/75/27/64/346752764.db2.gz BARNLRHKZWSHLY-UHFFFAOYSA-N 0 0 196.641 1.901 10 0 ADAERN CCc1cc(Cl)c2nncn2n1 585139734 346752888 /nfs/dbraw/zinc/75/28/88/346752888.db2.gz RNRJWZYITOKRQN-UHFFFAOYSA-N 0 0 182.614 1.340 10 0 ADAERN OCc1cnn(C2CCC2)c1 585140220 346753037 /nfs/dbraw/zinc/75/30/37/346753037.db2.gz DCGDZNFLGKXDRW-UHFFFAOYSA-N 0 0 152.197 1.100 10 0 ADAERN O=C1NC[C@H](c2ccccc2)[C@@H]1F 585142337 346753443 /nfs/dbraw/zinc/75/34/43/346753443.db2.gz YGDUQGAPHSBFRK-BDAKNGLRSA-N 0 0 179.194 1.238 10 0 ADAERN CC(C)CCC(F)(CO)CO 585142186 346753470 /nfs/dbraw/zinc/75/34/70/346753470.db2.gz INEXPYALGGASDC-UHFFFAOYSA-N 0 0 164.220 1.116 10 0 ADAERN Cc1ccccc1CC(F)(CO)CO 585142171 346753630 /nfs/dbraw/zinc/75/36/30/346753630.db2.gz IARGJLSUYMOHKC-UHFFFAOYSA-N 0 0 198.237 1.230 10 0 ADAERN O=C1NC[C@@H](C2CCCCC2)[C@@H]1F 585142159 346753597 /nfs/dbraw/zinc/75/35/97/346753597.db2.gz HBVWPZCQYJXBFQ-IUCAKERBSA-N 0 0 185.242 1.651 10 0 ADAERN Cc1noc(C)c1C[C@@H](F)CO 585142435 346753626 /nfs/dbraw/zinc/75/36/26/346753626.db2.gz FQUWTTXIUGGPHE-SSDOTTSWSA-N 0 0 173.187 1.164 10 0 ADAERN O=C1NC[C@@H](C2CCCC2)[C@H]1F 585142325 346753636 /nfs/dbraw/zinc/75/36/36/346753636.db2.gz XXFKBZBAUBJMAH-JGVFFNPUSA-N 0 0 171.215 1.261 10 0 ADAERN 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CC(C)CCC(=O)N1CCC12COC2 615938428 347089383 /nfs/dbraw/zinc/08/93/83/347089383.db2.gz OTJPOOPDNWYWIC-UHFFFAOYSA-N 0 0 197.278 1.424 10 0 ADAERN C[C@@H](C(=O)N1CCC12COC2)C1CC1 615928008 347089413 /nfs/dbraw/zinc/08/94/13/347089413.db2.gz SWXZPHBRVNQYTC-MRVPVSSYSA-N 0 0 195.262 1.034 10 0 ADAERN CCC[C@@H](C)C(=O)N1CCC12COC2 615926370 347089427 /nfs/dbraw/zinc/08/94/27/347089427.db2.gz DAQBJXGTABQVSQ-SECBINFHSA-N 0 0 197.278 1.424 10 0 ADAERN CC1(C(=O)N2CCC23COC3)CCC1 615926581 347089461 /nfs/dbraw/zinc/08/94/61/347089461.db2.gz BSZIULNDURBFGM-UHFFFAOYSA-N 0 0 195.262 1.178 10 0 ADAERN CCCCC(=O)N1CCC12COC2 615933259 347089469 /nfs/dbraw/zinc/08/94/69/347089469.db2.gz ZRTMPVZUENYFGN-UHFFFAOYSA-N 0 0 183.251 1.178 10 0 ADAERN CCC[C@H](C)C(=O)N1CCC12COC2 615926371 347089479 /nfs/dbraw/zinc/08/94/79/347089479.db2.gz DAQBJXGTABQVSQ-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN CC(C)[C@H](C)C(=O)N1CCC12COC2 615927443 347089491 /nfs/dbraw/zinc/08/94/91/347089491.db2.gz LWKITHJCUHVCPU-VIFPVBQESA-N 0 0 197.278 1.280 10 0 ADAERN CC[C@H](C)C(=O)N1CCC12COC2 615931866 347089553 /nfs/dbraw/zinc/08/95/53/347089553.db2.gz JFMHTSSREWLQQN-QMMMGPOBSA-N 0 0 183.251 1.034 10 0 ADAERN CC(C)CC(=O)N1CCC12COC2 615937985 347089556 /nfs/dbraw/zinc/08/95/56/347089556.db2.gz WVWXEQWGCAHGSQ-UHFFFAOYSA-N 0 0 183.251 1.034 10 0 ADAERN Cc1ccc(F)cc1C(=O)N(C)C#N 616018656 347090755 /nfs/dbraw/zinc/09/07/55/347090755.db2.gz CINCXOJCQORKDO-UHFFFAOYSA-N 0 0 192.193 1.687 10 0 ADAERN Cc1ccc(C(=O)N(C)C#N)c(C)c1 616018649 347090720 /nfs/dbraw/zinc/09/07/20/347090720.db2.gz AVGMKLVVWXHRJK-UHFFFAOYSA-N 0 0 188.230 1.857 10 0 ADAERN C[C@@H](C(=O)NCC1CSC1)C1CC1 616057272 347090728 /nfs/dbraw/zinc/09/07/28/347090728.db2.gz UPONCPGTOSEBLA-SSDOTTSWSA-N 0 0 199.319 1.512 10 0 ADAERN Cc1ccc(C(=O)N(C)C#N)cc1F 616018030 347090758 /nfs/dbraw/zinc/09/07/58/347090758.db2.gz IVLYEXRBQIFXIW-UHFFFAOYSA-N 0 0 192.193 1.687 10 0 ADAERN CC[C@H](C)C(=O)NCC1CSC1 616064192 347090760 /nfs/dbraw/zinc/09/07/60/347090760.db2.gz 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/nfs/dbraw/zinc/09/07/95/347090795.db2.gz STTILKMLTFBUPK-UHFFFAOYSA-N 0 0 199.319 1.656 10 0 ADAERN CCC1(C(=O)NCC2CSC2)CC1 616056106 347090801 /nfs/dbraw/zinc/09/08/01/347090801.db2.gz FJOGRYATCQZNKW-UHFFFAOYSA-N 0 0 199.319 1.656 10 0 ADAERN C[C@H](C(=O)NCC1CSC1)C1CC1 616057273 347090946 /nfs/dbraw/zinc/09/09/46/347090946.db2.gz UPONCPGTOSEBLA-ZETCQYMHSA-N 0 0 199.319 1.512 10 0 ADAERN CCc1ccccc1C(=O)N(C)C#N 616018609 347090830 /nfs/dbraw/zinc/09/08/30/347090830.db2.gz IPKIOIXFQJKJFZ-UHFFFAOYSA-N 0 0 188.230 1.802 10 0 ADAERN CN(C#N)C(=O)Cc1ccc(F)cc1 616018603 347090834 /nfs/dbraw/zinc/09/08/34/347090834.db2.gz GJUQKYWNTPTTGK-UHFFFAOYSA-N 0 0 192.193 1.308 10 0 ADAERN Cc1ccc(C(=O)N(C)C#N)c(C)n1 616018659 347090842 /nfs/dbraw/zinc/09/08/42/347090842.db2.gz DKRXTYJZGSWCIW-UHFFFAOYSA-N 0 0 189.218 1.252 10 0 ADAERN Cc1ccc(CC(=O)N(C)C#N)cc1 616018049 347090886 /nfs/dbraw/zinc/09/08/86/347090886.db2.gz NJRHHNWOPIILQF-UHFFFAOYSA-N 0 0 188.230 1.477 10 0 ADAERN CN(C#N)C(=O)c1cc(F)cc(F)c1 616018732 347090890 /nfs/dbraw/zinc/09/08/90/347090890.db2.gz XBUIXTUPRYTMLR-UHFFFAOYSA-N 0 0 196.156 1.518 10 0 ADAERN CC[C@@H](C)C(=O)NCC1CSC1 616064191 347090898 /nfs/dbraw/zinc/09/08/98/347090898.db2.gz XTJOBDAFSXNFHO-SSDOTTSWSA-N 0 0 187.308 1.512 10 0 ADAERN CC1(C)C[C@@H]1C(=O)NCC1CSC1 616053315 347090905 /nfs/dbraw/zinc/09/09/05/347090905.db2.gz CRUNAFGYNZAYIY-MRVPVSSYSA-N 0 0 199.319 1.512 10 0 ADAERN CN(C#N)C(=O)Cc1ccccc1F 616018606 347090918 /nfs/dbraw/zinc/09/09/18/347090918.db2.gz HEXHXUPSTHFMRP-UHFFFAOYSA-N 0 0 192.193 1.308 10 0 ADAERN CCCCC(=O)NCC1CSC1 616063516 347090924 /nfs/dbraw/zinc/09/09/24/347090924.db2.gz HHYHHFDZYHFAJP-UHFFFAOYSA-N 0 0 187.308 1.656 10 0 ADAERN Cc1ccccc1CC(=O)N(C)C#N 616018694 347090933 /nfs/dbraw/zinc/09/09/33/347090933.db2.gz PYRPEBQYZRGVKM-UHFFFAOYSA-N 0 0 188.230 1.477 10 0 ADAERN CC1(C(=O)NCC2CSC2)CCC1 616056926 347090937 /nfs/dbraw/zinc/09/09/37/347090937.db2.gz PYJVWDXPZZXWJE-UHFFFAOYSA-N 0 0 199.319 1.656 10 0 ADAERN 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188.230 1.857 10 0 ADAERN Cc1cccc(CC(=O)N(C)C#N)c1 616018635 347091044 /nfs/dbraw/zinc/09/10/44/347091044.db2.gz YTCNKGVGNQECMM-UHFFFAOYSA-N 0 0 188.230 1.477 10 0 ADAERN CN(C#N)C(=O)c1cc(F)ccc1F 616018619 347091063 /nfs/dbraw/zinc/09/10/63/347091063.db2.gz MDGXOGLFNTWNHU-UHFFFAOYSA-N 0 0 196.156 1.518 10 0 ADAERN O=C(CC1CC1)NCC1CSC1 616063922 347091073 /nfs/dbraw/zinc/09/10/73/347091073.db2.gz PTVFEVFUOTZJIU-UHFFFAOYSA-N 0 0 185.292 1.266 10 0 ADAERN CN(C#N)C(=O)CCc1ccccc1 616018634 347091090 /nfs/dbraw/zinc/09/10/90/347091090.db2.gz XMSGNSANUUZXIV-UHFFFAOYSA-N 0 0 188.230 1.559 10 0 ADAERN CN(C#N)C(=O)c1ccc(F)cc1F 616018004 347091097 /nfs/dbraw/zinc/09/10/97/347091097.db2.gz AZMLUVISTDEUKK-UHFFFAOYSA-N 0 0 196.156 1.518 10 0 ADAERN O=C(CCC1CC1)NCC1CSC1 616056680 347091101 /nfs/dbraw/zinc/09/11/01/347091101.db2.gz DAVYFGGPJOWMKT-UHFFFAOYSA-N 0 0 199.319 1.656 10 0 ADAERN CN(C#N)C(=O)c1c(F)cccc1F 616018618 347091111 /nfs/dbraw/zinc/09/11/11/347091111.db2.gz LZCSUOKQKZVWJK-UHFFFAOYSA-N 0 0 196.156 1.518 10 0 ADAERN CN(C#N)C(=O)c1ccc(F)c(F)c1 616018585 347091116 /nfs/dbraw/zinc/09/11/16/347091116.db2.gz CBOJUHUNJRFBKB-UHFFFAOYSA-N 0 0 196.156 1.518 10 0 ADAERN O=C(NCC1CSC1)C1=CCCC1 616057083 347091119 /nfs/dbraw/zinc/09/11/19/347091119.db2.gz QYRQERDFTDWTFH-UHFFFAOYSA-N 0 0 197.303 1.576 10 0 ADAERN COc1cccc(C(=O)N(C)C#N)c1 616018594 347091126 /nfs/dbraw/zinc/09/11/26/347091126.db2.gz DACCAAUFFWSJFB-UHFFFAOYSA-N 0 0 190.202 1.248 10 0 ADAERN O=C(CCCF)NC[C@@H]1C[C@H]1C1CC1 616117938 347091410 /nfs/dbraw/zinc/09/14/10/347091410.db2.gz TZZUDSOPXJUCKE-UWVGGRQHSA-N 0 0 199.269 1.898 10 0 ADAERN O=C(NCC1CSC1)C1CCCC1 616067823 347091446 /nfs/dbraw/zinc/09/14/46/347091446.db2.gz CIJCCJSJBJJLFE-UHFFFAOYSA-N 0 0 199.319 1.656 10 0 ADAERN O=C(NCC1CSC1)[C@@H]1CC12CC2 616070940 347091456 /nfs/dbraw/zinc/09/14/56/347091456.db2.gz QXUFVJVXNTWYLD-QMMMGPOBSA-N 0 0 197.303 1.266 10 0 ADAERN O=C(NCC1CSC1)c1ccco1 616068195 347091487 /nfs/dbraw/zinc/09/14/87/347091487.db2.gz MCNLJMANUCBSDB-UHFFFAOYSA-N 0 0 197.259 1.372 10 0 ADAERN O=C(NCC1CSC1)[C@H]1CC12CC2 616070939 347091498 /nfs/dbraw/zinc/09/14/98/347091498.db2.gz QXUFVJVXNTWYLD-MRVPVSSYSA-N 0 0 197.303 1.266 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)NCc1cocn1 616203014 347091886 /nfs/dbraw/zinc/09/18/86/347091886.db2.gz ORLNIJWPVQKZIH-VXNVDRBHSA-N 0 0 194.234 1.337 10 0 ADAERN O=C(NCc1cocn1)[C@H]1CC12CC2 616201645 347091976 /nfs/dbraw/zinc/09/19/76/347091976.db2.gz OXPZGSOHXOYVDS-MRVPVSSYSA-N 0 0 192.218 1.091 10 0 ADAERN CCC1CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)C1 616194016 347092000 /nfs/dbraw/zinc/09/20/00/347092000.db2.gz VCDOAKYMEBQAIN-URLYPYJESA-N 0 0 193.290 1.901 10 0 ADAERN O=C(NCc1cocn1)[C@@H]1CC12CC2 616201646 347092172 /nfs/dbraw/zinc/09/21/72/347092172.db2.gz OXPZGSOHXOYVDS-QMMMGPOBSA-N 0 0 192.218 1.091 10 0 ADAERN O=Cc1ccn(N2CCCC2)c1 616216216 347092538 /nfs/dbraw/zinc/09/25/38/347092538.db2.gz ZKPRYMMADGYIPE-UHFFFAOYSA-N 0 0 164.208 1.032 10 0 ADAERN O=C(N[C@H]1CC12CC2)C1CC2(CC2)C1 616412656 347093203 /nfs/dbraw/zinc/09/32/03/347093203.db2.gz DWSNDYRYOFNVKH-VIFPVBQESA-N 0 0 191.274 1.845 10 0 ADAERN Cn1ccnc1NC(=O)CCCF 616292409 347093214 /nfs/dbraw/zinc/09/32/14/347093214.db2.gz ZANHPCQJJFKHIJ-UHFFFAOYSA-N 0 0 185.202 1.108 10 0 ADAERN O=C(N[C@@H]1CC12CC2)C1CC2(CC2)C1 616412655 347093299 /nfs/dbraw/zinc/09/32/99/347093299.db2.gz DWSNDYRYOFNVKH-SECBINFHSA-N 0 0 191.274 1.845 10 0 ADAERN CCn1ccnc1NC(=O)CCCF 616312900 347093305 /nfs/dbraw/zinc/09/33/05/347093305.db2.gz FCMPMBQDNIFHSS-UHFFFAOYSA-N 0 0 199.229 1.591 10 0 ADAERN O=C(CCCF)N[C@H]1C[C@@H]2C[C@@H]2C1 616428141 347093629 /nfs/dbraw/zinc/09/36/29/347093629.db2.gz CGVIWSIAOSOLDI-AYMMMOKOSA-N 0 0 185.242 1.651 10 0 ADAERN O=C(CCCF)N[C@@H]1CC12CC2 616413099 347093776 /nfs/dbraw/zinc/09/37/76/347093776.db2.gz QOOQFWLXBVDZLS-SSDOTTSWSA-N 0 0 171.215 1.405 10 0 ADAERN O=C(N[C@@H]1CC12CC2)[C@@H]1C[C@@H]2C[C@@H]2C1 616413317 347093888 /nfs/dbraw/zinc/09/38/88/347093888.db2.gz XMXIYARAXLKEOX-XFWSIPNHSA-N 0 0 191.274 1.701 10 0 ADAERN CN(C(=O)[C@@H]1[C@H]2COC[C@H]21)C(C)(C)C 616489883 347093915 /nfs/dbraw/zinc/09/39/15/347093915.db2.gz FUJCCHBFMHXTHA-BRPSZJMVSA-N 0 0 197.278 1.136 10 0 ADAERN O=C(N[C@H]1CC12CC2)[C@@H]1C[C@@H]2C[C@@H]2C1 616413312 347093952 /nfs/dbraw/zinc/09/39/52/347093952.db2.gz XMXIYARAXLKEOX-JLIMGVALSA-N 0 0 191.274 1.701 10 0 ADAERN O=C(CCCF)N[C@H]1CC12CC2 616413100 347094023 /nfs/dbraw/zinc/09/40/23/347094023.db2.gz QOOQFWLXBVDZLS-ZETCQYMHSA-N 0 0 171.215 1.405 10 0 ADAERN C[C@@H](NC(=O)c1ncc[nH]1)C(C)(C)C 616562080 347094484 /nfs/dbraw/zinc/09/44/84/347094484.db2.gz RSTQIEKUHCHSOF-SSDOTTSWSA-N 0 0 195.266 1.574 10 0 ADAERN C[C@@H](NC(=O)[C@@H](O)C1CC1)C(C)(C)C 616561693 347094490 /nfs/dbraw/zinc/09/44/90/347094490.db2.gz GBRZXODFVOVNJU-APPZFPTMSA-N 0 0 199.294 1.308 10 0 ADAERN C[C@@H](NC(=O)[C@H](O)C1CC1)C(C)(C)C 616561694 347094667 /nfs/dbraw/zinc/09/46/67/347094667.db2.gz GBRZXODFVOVNJU-VXNVDRBHSA-N 0 0 199.294 1.308 10 0 ADAERN CC[C@@H](C)[C@H]([NH3+])c1ocnc1C(=O)[O-] 616568299 347095402 /nfs/dbraw/zinc/09/54/02/347095402.db2.gz IIODAAJOQJRTKK-RITPCOANSA-N 0 0 198.222 1.419 10 0 ADAERN Cc1ccc([C@H](O)C[C@H]2CO2)cc1 616568366 347095384 /nfs/dbraw/zinc/09/53/84/347095384.db2.gz BCWOCRSOPKKPOQ-WDEREUQCSA-N 0 0 178.231 1.817 10 0 ADAERN CC[C@@H](C)[C@@H]([NH3+])c1ocnc1C(=O)[O-] 616568298 347095412 /nfs/dbraw/zinc/09/54/12/347095412.db2.gz IIODAAJOQJRTKK-PHDIDXHHSA-N 0 0 198.222 1.419 10 0 ADAERN CC[C@H](C)[C@@H]([NH3+])c1ocnc1C(=O)[O-] 616568294 347095453 /nfs/dbraw/zinc/09/54/53/347095453.db2.gz IIODAAJOQJRTKK-NTSWFWBYSA-N 0 0 198.222 1.419 10 0 ADAERN Cc1ccc([C@H](O)C[C@@H]2CO2)cc1 616568357 347095461 /nfs/dbraw/zinc/09/54/61/347095461.db2.gz BCWOCRSOPKKPOQ-GHMZBOCLSA-N 0 0 178.231 1.817 10 0 ADAERN Cc1ccc([C@@H](O)C[C@@H]2CO2)cc1 616568362 347095474 /nfs/dbraw/zinc/09/54/74/347095474.db2.gz BCWOCRSOPKKPOQ-MNOVXSKESA-N 0 0 178.231 1.817 10 0 ADAERN C[C@@H]1CCC[C@@H]1[S@](C)(=N)=O 616568573 347095514 /nfs/dbraw/zinc/09/55/14/347095514.db2.gz KUJAOBGJKOKZOO-MATHAZKKSA-N 0 0 161.270 1.852 10 0 ADAERN COc1cccc([C@@H](O)C[C@H]2CO2)c1 616568312 347095526 /nfs/dbraw/zinc/09/55/26/347095526.db2.gz AMBRZNFLEVJMHK-QWRGUYRKSA-N 0 0 194.230 1.518 10 0 ADAERN CC(C)(C)OC(=O)c1ncoc1CN 616568140 347095545 /nfs/dbraw/zinc/09/55/45/347095545.db2.gz DUZDEPQSCQPRNU-UHFFFAOYSA-N 0 0 198.222 1.089 10 0 ADAERN Cc1cccc(N)c1-n1nccn1 616568496 347095657 /nfs/dbraw/zinc/09/56/57/347095657.db2.gz BOJIPPKFVQQMKQ-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CCC[C@H]([NH3+])c1ocnc1C(=O)[O-] 616568211 347095668 /nfs/dbraw/zinc/09/56/68/347095668.db2.gz GMZBXEKRJGPXAC-YFKPBYRVSA-N 0 0 184.195 1.173 10 0 ADAERN CCC[C@@H]([NH3+])c1ocnc1C(=O)[O-] 616568208 347095700 /nfs/dbraw/zinc/09/57/00/347095700.db2.gz GMZBXEKRJGPXAC-RXMQYKEDSA-N 0 0 184.195 1.173 10 0 ADAERN C[C@@H]1CCC[C@@H]1[S@@](C)(=N)=O 616568572 347095720 /nfs/dbraw/zinc/09/57/20/347095720.db2.gz KUJAOBGJKOKZOO-FWWHASMVSA-N 0 0 161.270 1.852 10 0 ADAERN O=C1CC2(CC2)Oc2ncccc21 616568367 347095747 /nfs/dbraw/zinc/09/57/47/347095747.db2.gz JDTWOLIBJYUMIO-UHFFFAOYSA-N 0 0 175.187 1.579 10 0 ADAERN COc1cccc([C@H](O)C[C@@H]2CO2)c1 616568308 347095805 /nfs/dbraw/zinc/09/58/05/347095805.db2.gz AMBRZNFLEVJMHK-GHMZBOCLSA-N 0 0 194.230 1.518 10 0 ADAERN C[C@@H]1CCC[C@H]1[S@@](C)(=N)=O 616568574 347095830 /nfs/dbraw/zinc/09/58/30/347095830.db2.gz KUJAOBGJKOKZOO-XSSZXYGBSA-N 0 0 161.270 1.852 10 0 ADAERN CC[C@@H](C)[NH2+]Cc1ocnc1C(=O)[O-] 616568153 347095835 /nfs/dbraw/zinc/09/58/35/347095835.db2.gz FDFVRDCYMCWTFE-ZCFIWIBFSA-N 0 0 198.222 1.261 10 0 ADAERN CC[C@H](C)[NH2+]Cc1ocnc1C(=O)[O-] 616568152 347095860 /nfs/dbraw/zinc/09/58/60/347095860.db2.gz FDFVRDCYMCWTFE-LURJTMIESA-N 0 0 198.222 1.261 10 0 ADAERN Cc1ccc([C@@H](O)C[C@H]2CO2)cc1 616568364 347095876 /nfs/dbraw/zinc/09/58/76/347095876.db2.gz BCWOCRSOPKKPOQ-QWRGUYRKSA-N 0 0 178.231 1.817 10 0 ADAERN COc1cc(F)c(C(C)=O)cc1N 616568143 347095881 /nfs/dbraw/zinc/09/58/81/347095881.db2.gz GMZQZKSIBAAGPY-UHFFFAOYSA-N 0 0 183.182 1.619 10 0 ADAERN COc1cccc([C@H](O)C[C@H]2CO2)c1 616568313 347095897 /nfs/dbraw/zinc/09/58/97/347095897.db2.gz AMBRZNFLEVJMHK-WDEREUQCSA-N 0 0 194.230 1.518 10 0 ADAERN CC[C@H](C)[C@H]([NH3+])c1ocnc1C(=O)[O-] 616568300 347095934 /nfs/dbraw/zinc/09/59/34/347095934.db2.gz IIODAAJOQJRTKK-WDSKDSINSA-N 0 0 198.222 1.419 10 0 ADAERN C[C@@H]1CCC[C@H]1[S@](C)(=N)=O 616568571 347095940 /nfs/dbraw/zinc/09/59/40/347095940.db2.gz KUJAOBGJKOKZOO-BRDIYROLSA-N 0 0 161.270 1.852 10 0 ADAERN CC[S@](=N)(=O)C1CCSCC1 616568971 347096179 /nfs/dbraw/zinc/09/61/79/347096179.db2.gz OGXIFTVQIMRWHI-NSHDSACASA-N 0 0 193.337 1.949 10 0 ADAERN CC(C)[S@](=N)(=O)C1CCOCC1 616568618 347096195 /nfs/dbraw/zinc/09/61/95/347096195.db2.gz KZPULUVSJFLHPG-LBPRGKRZSA-N 0 0 191.296 1.621 10 0 ADAERN CCN(C)Cc1nc(C=O)cs1 616568737 347096205 /nfs/dbraw/zinc/09/62/05/347096205.db2.gz MBIHSZTYTMQPOX-UHFFFAOYSA-N 0 0 184.264 1.407 10 0 ADAERN O[C@H](C[C@H]1CO1)c1ccccc1F 616568776 347096228 /nfs/dbraw/zinc/09/62/28/347096228.db2.gz DIXIHCJJBJZUBB-OIBJUYFYSA-N 0 0 182.194 1.648 10 0 ADAERN [NH3+][C@@H](CC1CC1)c1ocnc1C(=O)[O-] 616568780 347096260 /nfs/dbraw/zinc/09/62/60/347096260.db2.gz MPBJFSVTEOHWJX-LURJTMIESA-N 0 0 196.206 1.173 10 0 ADAERN CCc1c(C(=O)OC)cc(C=O)n1C 616569165 347096297 /nfs/dbraw/zinc/09/62/97/347096297.db2.gz RCJQVWLWIYXCDM-UHFFFAOYSA-N 0 0 195.218 1.187 10 0 ADAERN Cc1cn2c(Cl)cnc2cn1 616568622 347096314 /nfs/dbraw/zinc/09/63/14/347096314.db2.gz VRYUXKLYBHWQEN-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN O[C@@H](C[C@@H]1CO1)c1ccccc1F 616568777 347096407 /nfs/dbraw/zinc/09/64/07/347096407.db2.gz DIXIHCJJBJZUBB-XCBNKYQSSA-N 0 0 182.194 1.648 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ocnc1C(=O)[O-] 616568878 347096419 /nfs/dbraw/zinc/09/64/19/347096419.db2.gz NMNICFVVPUZEIK-RXMQYKEDSA-N 0 0 184.195 1.029 10 0 ADAERN Cc1c(N)cccc1-n1nccn1 616569013 347096432 /nfs/dbraw/zinc/09/64/32/347096432.db2.gz GRXGIGMYUKMLNL-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC(C)[C@H]([NH3+])c1ocnc1C(=O)[O-] 616568880 347096458 /nfs/dbraw/zinc/09/64/58/347096458.db2.gz NMNICFVVPUZEIK-YFKPBYRVSA-N 0 0 184.195 1.029 10 0 ADAERN O[C@@H](C[C@H]1CO1)c1ccccc1F 616568844 347096499 /nfs/dbraw/zinc/09/64/99/347096499.db2.gz DIXIHCJJBJZUBB-XVKPBYJWSA-N 0 0 182.194 1.648 10 0 ADAERN O[C@H](C[C@@H]1CO1)c1ccccc1F 616568772 347096527 /nfs/dbraw/zinc/09/65/27/347096527.db2.gz DIXIHCJJBJZUBB-GMSGAONNSA-N 0 0 182.194 1.648 10 0 ADAERN Cc1cc(-n2nccn2)ccc1N 616568884 347096542 /nfs/dbraw/zinc/09/65/42/347096542.db2.gz FLZFTZOQNYMAIU-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC[S@@](=N)(=O)C1CCSCC1 616568965 347096566 /nfs/dbraw/zinc/09/65/66/347096566.db2.gz OGXIFTVQIMRWHI-LLVKDONJSA-N 0 0 193.337 1.949 10 0 ADAERN CC(C)[S@@](=N)(=O)C1CCOCC1 616568601 347096635 /nfs/dbraw/zinc/09/66/35/347096635.db2.gz KZPULUVSJFLHPG-GFCCVEGCSA-N 0 0 191.296 1.621 10 0 ADAERN C[C@@H]1CC[C@H]([S@](C)(=N)=O)C1 616569188 347097111 /nfs/dbraw/zinc/09/71/11/347097111.db2.gz ROLXFWDLCHPIGZ-MATHAZKKSA-N 0 0 161.270 1.852 10 0 ADAERN C[C@@H]1CC[C@@H]([S@@](C)(=N)=O)C1 616569189 347097143 /nfs/dbraw/zinc/09/71/43/347097143.db2.gz ROLXFWDLCHPIGZ-XSSZXYGBSA-N 0 0 161.270 1.852 10 0 ADAERN CC[C@@H](C)[C@H](N)C(F)(F)C(=O)OC 616569398 347097157 /nfs/dbraw/zinc/09/71/57/347097157.db2.gz SZZXGPBUZLZCKN-RITPCOANSA-N 0 0 195.209 1.168 10 0 ADAERN Cc1ccc(N)c(-n2nccn2)c1 616569471 347097195 /nfs/dbraw/zinc/09/71/95/347097195.db2.gz LNRSXIIIBVSISC-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC[NH+](CC)Cc1ocnc1C(=O)[O-] 616569516 347097231 /nfs/dbraw/zinc/09/72/31/347097231.db2.gz VMGJREGBIGABCG-UHFFFAOYSA-N 0 0 198.222 1.215 10 0 ADAERN C[C@@H]1CC[C@H]([S@@](C)(=N)=O)C1 616569187 347097244 /nfs/dbraw/zinc/09/72/44/347097244.db2.gz ROLXFWDLCHPIGZ-FWWHASMVSA-N 0 0 161.270 1.852 10 0 ADAERN CC[C@H](C)[C@@H](N)C(F)(F)C(=O)OC 616569396 347097246 /nfs/dbraw/zinc/09/72/46/347097246.db2.gz SZZXGPBUZLZCKN-NTSWFWBYSA-N 0 0 195.209 1.168 10 0 ADAERN Cc1conc1CNC1CC1 616569710 347097292 /nfs/dbraw/zinc/09/72/92/347097292.db2.gz CHDZGIVAFXWNSG-UHFFFAOYSA-N 0 0 152.197 1.235 10 0 ADAERN Clc1cnc2cccnn12 616569375 347097304 /nfs/dbraw/zinc/09/73/04/347097304.db2.gz RHVCDONPSCKEMJ-UHFFFAOYSA-N 0 0 153.572 1.383 10 0 ADAERN CC(C)(C)[C@H]([NH3+])c1ocnc1C(=O)[O-] 616569754 347097351 /nfs/dbraw/zinc/09/73/51/347097351.db2.gz WPNYAJASUZSLIN-SSDOTTSWSA-N 0 0 198.222 1.419 10 0 ADAERN C[C@@H]1CC[C@@H]([S@](C)(=N)=O)C1 616569186 347097363 /nfs/dbraw/zinc/09/73/63/347097363.db2.gz ROLXFWDLCHPIGZ-BRDIYROLSA-N 0 0 161.270 1.852 10 0 ADAERN CC[C@H](C)[C@H](N)C(F)(F)C(=O)OC 616569399 347097420 /nfs/dbraw/zinc/09/74/20/347097420.db2.gz SZZXGPBUZLZCKN-WDSKDSINSA-N 0 0 195.209 1.168 10 0 ADAERN CC(C)(C)c1nnc(C(C)(C)[NH3+])[nH]1 616569702 347097437 /nfs/dbraw/zinc/09/74/37/347097437.db2.gz JQYBXOSERZQCOD-UHFFFAOYSA-N 0 0 182.271 1.296 10 0 ADAERN CC[C@@H](C)[C@@H](N)C(F)(F)C(=O)OC 616569397 347097448 /nfs/dbraw/zinc/09/74/48/347097448.db2.gz SZZXGPBUZLZCKN-PHDIDXHHSA-N 0 0 195.209 1.168 10 0 ADAERN O=c1ccnc2cccc(Cl)n12 616569426 347097458 /nfs/dbraw/zinc/09/74/58/347097458.db2.gz RZKSYJXJCPCIRW-UHFFFAOYSA-N 0 0 180.594 1.348 10 0 ADAERN Cc1cccc([C@H](O)C[C@H]2CO2)c1 616571799 347100285 /nfs/dbraw/zinc/10/02/85/347100285.db2.gz RXJYIQJUOXLHNC-WDEREUQCSA-N 0 0 178.231 1.817 10 0 ADAERN CCCC[C@@H]([NH3+])c1ocnc1C(=O)[O-] 616570044 347097979 /nfs/dbraw/zinc/09/79/79/347097979.db2.gz ZSUQEFWKKBYSGD-ZCFIWIBFSA-N 0 0 198.222 1.563 10 0 ADAERN CCCC[C@H]([NH3+])c1ocnc1C(=O)[O-] 616570041 347098037 /nfs/dbraw/zinc/09/80/37/347098037.db2.gz ZSUQEFWKKBYSGD-LURJTMIESA-N 0 0 198.222 1.563 10 0 ADAERN CC(C)(C)[C@@H]([NH3+])c1ocnc1C(=O)[O-] 616569755 347098070 /nfs/dbraw/zinc/09/80/70/347098070.db2.gz WPNYAJASUZSLIN-ZETCQYMHSA-N 0 0 198.222 1.419 10 0 ADAERN C=CC(=O)N1CCC[C@@H](C(C)(C)O)C1 616569969 347098085 /nfs/dbraw/zinc/09/80/85/347098085.db2.gz DHQWATNAEURKAS-SECBINFHSA-N 0 0 197.278 1.182 10 0 ADAERN C=CC(=O)N1CCC[C@H](C(C)(C)O)C1 616569970 347098149 /nfs/dbraw/zinc/09/81/49/347098149.db2.gz DHQWATNAEURKAS-VIFPVBQESA-N 0 0 197.278 1.182 10 0 ADAERN Cc1ccccc1[C@@H](O)C[C@@H]1CO1 616570743 347098949 /nfs/dbraw/zinc/09/89/49/347098949.db2.gz OKORSSLWESFYSL-KOLCDFICSA-N 0 0 178.231 1.817 10 0 ADAERN Cc1ccccc1[C@@H](O)C[C@H]1CO1 616570757 347099041 /nfs/dbraw/zinc/09/90/41/347099041.db2.gz OKORSSLWESFYSL-ONGXEEELSA-N 0 0 178.231 1.817 10 0 ADAERN Cc1ccccc1[C@H](O)C[C@H]1CO1 616570742 347099055 /nfs/dbraw/zinc/09/90/55/347099055.db2.gz OKORSSLWESFYSL-GXSJLCMTSA-N 0 0 178.231 1.817 10 0 ADAERN Cc1ccccc1[C@H](O)C[C@@H]1CO1 616570744 347099098 /nfs/dbraw/zinc/09/90/98/347099098.db2.gz OKORSSLWESFYSL-MWLCHTKSSA-N 0 0 178.231 1.817 10 0 ADAERN O[C@@H](C[C@@H]1CO1)c1cccc(F)c1 616571111 347099659 /nfs/dbraw/zinc/09/96/59/347099659.db2.gz PJBBGIPDVMBPAH-ZJUUUORDSA-N 0 0 182.194 1.648 10 0 ADAERN COC1=NCCCC[C@@H]1[C@H]1CCOC1 616571598 347099679 /nfs/dbraw/zinc/09/96/79/347099679.db2.gz ZFSHITJWNUWDHC-VHSXEESVSA-N 0 0 197.278 1.868 10 0 ADAERN O[C@@H](C[C@H]1CO1)c1cccc(F)c1 616571109 347099682 /nfs/dbraw/zinc/09/96/82/347099682.db2.gz PJBBGIPDVMBPAH-UWVGGRQHSA-N 0 0 182.194 1.648 10 0 ADAERN COC1=NCCCC[C@H]1[C@@H]1CCOC1 616571600 347099701 /nfs/dbraw/zinc/09/97/01/347099701.db2.gz ZFSHITJWNUWDHC-ZJUUUORDSA-N 0 0 197.278 1.868 10 0 ADAERN CC(C)(O)[C@@H]1CCN(C(=O)C2CC2)C1 616571723 347099715 /nfs/dbraw/zinc/09/97/15/347099715.db2.gz HQAFMOOEWZNZHF-SECBINFHSA-N 0 0 197.278 1.016 10 0 ADAERN O[C@H](C[C@@H]1CO1)c1cccc(F)c1 616571105 347099732 /nfs/dbraw/zinc/09/97/32/347099732.db2.gz PJBBGIPDVMBPAH-NXEZZACHSA-N 0 0 182.194 1.648 10 0 ADAERN Nc1cnccc1-c1ccc(F)nc1 616571454 347099785 /nfs/dbraw/zinc/09/97/85/347099785.db2.gz XTCHJZCZXZTEEK-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN COC1=NCCCC[C@@H]1[C@@H]1CCOC1 616571568 347099847 /nfs/dbraw/zinc/09/98/47/347099847.db2.gz ZFSHITJWNUWDHC-NXEZZACHSA-N 0 0 197.278 1.868 10 0 ADAERN O[C@H](C[C@H]1CO1)c1cccc(F)c1 616571110 347099853 /nfs/dbraw/zinc/09/98/53/347099853.db2.gz PJBBGIPDVMBPAH-VHSXEESVSA-N 0 0 182.194 1.648 10 0 ADAERN CC(C)(O)[C@H]1CCN(C(=O)C2CC2)C1 616571724 347099864 /nfs/dbraw/zinc/09/98/64/347099864.db2.gz HQAFMOOEWZNZHF-VIFPVBQESA-N 0 0 197.278 1.016 10 0 ADAERN COC1=NCCCC[C@H]1[C@H]1CCOC1 616571596 347099865 /nfs/dbraw/zinc/09/98/65/347099865.db2.gz ZFSHITJWNUWDHC-UWVGGRQHSA-N 0 0 197.278 1.868 10 0 ADAERN Cc1cccc([C@@H](O)C[C@@H]2CO2)c1 616571788 347100378 /nfs/dbraw/zinc/10/03/78/347100378.db2.gz RXJYIQJUOXLHNC-MNOVXSKESA-N 0 0 178.231 1.817 10 0 ADAERN CC(=O)NCc1c(C)ccc(N)c1C 616571988 347100425 /nfs/dbraw/zinc/10/04/25/347100425.db2.gz JINXNCXYFNXSQB-UHFFFAOYSA-N 0 0 192.262 1.522 10 0 ADAERN CCC(=O)N1CC[C@H](C(C)(C)O)C1 616571971 347100438 /nfs/dbraw/zinc/10/04/38/347100438.db2.gz JGDONKFFVDTGIN-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN CCC(=O)N1CC[C@@H](C(C)(C)O)C1 616571969 347100512 /nfs/dbraw/zinc/10/05/12/347100512.db2.gz JGDONKFFVDTGIN-MRVPVSSYSA-N 0 0 185.267 1.016 10 0 ADAERN CCC(=O)Nc1ncc(N)cc1OC 616571798 347100627 /nfs/dbraw/zinc/10/06/27/347100627.db2.gz IFRZHNBPARREFW-UHFFFAOYSA-N 0 0 195.222 1.021 10 0 ADAERN Cc1cccc([C@H](O)C[C@@H]2CO2)c1 616571785 347100632 /nfs/dbraw/zinc/10/06/32/347100632.db2.gz RXJYIQJUOXLHNC-GHMZBOCLSA-N 0 0 178.231 1.817 10 0 ADAERN CCCC(=O)NCc1ncccc1N 616571978 347100634 /nfs/dbraw/zinc/10/06/34/347100634.db2.gz JHQTVFGAXVRAKW-UHFFFAOYSA-N 0 0 193.250 1.080 10 0 ADAERN Cc1cccc([C@@H](O)C[C@H]2CO2)c1 616571791 347100644 /nfs/dbraw/zinc/10/06/44/347100644.db2.gz RXJYIQJUOXLHNC-QWRGUYRKSA-N 0 0 178.231 1.817 10 0 ADAERN CC(C)C(=O)N1CC[C@H](C(C)(C)O)C1 616572784 347100997 /nfs/dbraw/zinc/10/09/97/347100997.db2.gz OSTIIOCWRVXKCZ-VIFPVBQESA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)([NH3+])c1nnc(C(F)(F)F)[n-]1 616572994 347101027 /nfs/dbraw/zinc/10/10/27/347101027.db2.gz YDHVNOCRNDQATO-UHFFFAOYSA-N 0 0 194.160 1.017 10 0 ADAERN CC(C)C(=O)N1CC[C@@H](C(C)(C)O)C1 616572783 347101058 /nfs/dbraw/zinc/10/10/58/347101058.db2.gz OSTIIOCWRVXKCZ-SECBINFHSA-N 0 0 199.294 1.262 10 0 ADAERN CCCC(=O)N1CC[C@H](C(C)(C)O)C1 616572690 347101195 /nfs/dbraw/zinc/10/11/95/347101195.db2.gz NRISIVCCZXLDQP-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN COc1ccccc1[C@H](O)C[C@@H]1CO1 616573050 347101215 /nfs/dbraw/zinc/10/12/15/347101215.db2.gz YREIRDVPAKWSGQ-PSASIEDQSA-N 0 0 194.230 1.518 10 0 ADAERN COc1ccccc1[C@H](O)C[C@H]1CO1 616573052 347101219 /nfs/dbraw/zinc/10/12/19/347101219.db2.gz YREIRDVPAKWSGQ-WCBMZHEXSA-N 0 0 194.230 1.518 10 0 ADAERN COc1ccccc1[C@@H](O)C[C@H]1CO1 616573053 347101369 /nfs/dbraw/zinc/10/13/69/347101369.db2.gz YREIRDVPAKWSGQ-WPRPVWTQSA-N 0 0 194.230 1.518 10 0 ADAERN CCCC(=O)N1CC[C@@H](C(C)(C)O)C1 616572689 347101379 /nfs/dbraw/zinc/10/13/79/347101379.db2.gz NRISIVCCZXLDQP-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN CCC(=O)N1CC[C@@]2(CO)CCC[C@@H]12 616573812 347101891 /nfs/dbraw/zinc/10/18/91/347101891.db2.gz UCAIYJSQZMREDE-MWLCHTKSSA-N 0 0 197.278 1.160 10 0 ADAERN COC(=O)CN[C@@H]1CC[C@@H]2CCC[C@@H]21 616574820 347102353 /nfs/dbraw/zinc/10/23/53/347102353.db2.gz YJTVOINKLUHJIB-LPEHRKFASA-N 0 0 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616574816 347102690 /nfs/dbraw/zinc/10/26/90/347102690.db2.gz YJTVOINKLUHJIB-IVZWLZJFSA-N 0 0 197.278 1.328 10 0 ADAERN COC(=O)CN[C@@H]1CC[C@H]2CCC[C@@H]21 616574818 347102749 /nfs/dbraw/zinc/10/27/49/347102749.db2.gz YJTVOINKLUHJIB-KXUCPTDWSA-N 0 0 197.278 1.328 10 0 ADAERN O=C([O-])C[NH2+]CCCCC1CC1 616575622 347102771 /nfs/dbraw/zinc/10/27/71/347102771.db2.gz BUDMZJMJZXEQLJ-UHFFFAOYSA-N 0 0 171.240 1.241 10 0 ADAERN C/C=C\C(=O)N1CC[C@@H](C(C)(C)O)C1 616574198 347102805 /nfs/dbraw/zinc/10/28/05/347102805.db2.gz YAIOGFSAAXBHTO-XRVBUDJMSA-N 0 0 197.278 1.182 10 0 ADAERN CC(C)N1C(=O)CCC1(C)C 616575365 347102853 /nfs/dbraw/zinc/10/28/53/347102853.db2.gz CCCKPWRECVCZQA-UHFFFAOYSA-N 0 0 155.241 1.796 10 0 ADAERN Cn1c(C(F)(F)F)cc(O)cc1=O 616576748 347103324 /nfs/dbraw/zinc/10/33/24/347103324.db2.gz OECIGDYNEWESSZ-UHFFFAOYSA-N 0 0 193.124 1.110 10 0 ADAERN CNCc1nc(C)cc(C(F)F)n1 616577088 347103336 /nfs/dbraw/zinc/10/33/36/347103336.db2.gz IHOVXGYHQVROSC-UHFFFAOYSA-N 0 0 187.193 1.442 10 0 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ADAERN CCOC(=O)Cc1cccc(N)c1F 616578481 347104002 /nfs/dbraw/zinc/10/40/02/347104002.db2.gz UJRLWVMONKTNBE-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN Cl[C@@]12CC[C@@H]1C2 616579290 347104059 /nfs/dbraw/zinc/10/40/59/347104059.db2.gz SEJWDVQJEBPCIB-RFZPGFLSSA-N 0 0 102.564 1.778 10 0 ADAERN COc1c(N)ccc2c1CCC2 616579471 347104098 /nfs/dbraw/zinc/10/40/98/347104098.db2.gz ISPOYADYRQVSNH-UHFFFAOYSA-N 0 0 163.220 1.766 10 0 ADAERN Nc1cc(N)cc(OC(F)(F)F)c1 616579894 347104107 /nfs/dbraw/zinc/10/41/07/347104107.db2.gz KGOSXXUJPCFKDF-UHFFFAOYSA-N 0 0 192.140 1.750 10 0 ADAERN Br[C@]12CC[C@H]1C2 616579627 347104109 /nfs/dbraw/zinc/10/41/09/347104109.db2.gz UZUQNKQOTYDJHO-WHFBIAKZSA-N 0 0 147.015 1.934 10 0 ADAERN C[C@H]([NH2+]CCCCC1CC1)C(=O)[O-] 616580344 347104118 /nfs/dbraw/zinc/10/41/18/347104118.db2.gz VLRUBQBTLXNEPS-QMMMGPOBSA-N 0 0 185.267 1.629 10 0 ADAERN Br[C@@]12CC[C@@H]1C2 616579625 347104125 /nfs/dbraw/zinc/10/41/25/347104125.db2.gz UZUQNKQOTYDJHO-RFZPGFLSSA-N 0 0 147.015 1.934 10 0 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196.206 1.230 10 0 ADAERN COC(=O)N1CC[C@@H](c2ccon2)C1 616613597 347118852 /nfs/dbraw/zinc/11/88/52/347118852.db2.gz ZDPQXWUWQGUORF-SSDOTTSWSA-N 0 0 196.206 1.230 10 0 ADAERN OCCN1CCCC[C@@H]1c1ccon1 616614047 347119524 /nfs/dbraw/zinc/11/95/24/347119524.db2.gz HFHVSEVHJFHLKG-SNVBAGLBSA-N 0 0 196.250 1.194 10 0 ADAERN CN1CCCC[C@@H]1c1ncccn1 616613916 347119553 /nfs/dbraw/zinc/11/95/53/347119553.db2.gz DWERAJGINNZDHL-SECBINFHSA-N 0 0 177.251 1.633 10 0 ADAERN CCN1CCCC[C@@H]1c1cn[nH]n1 616614174 347119948 /nfs/dbraw/zinc/11/99/48/347119948.db2.gz JYIQCAJBKJWUAP-SECBINFHSA-N 0 0 180.255 1.352 10 0 ADAERN CCN1CCCC[C@@H]1F 616614145 347120052 /nfs/dbraw/zinc/12/00/52/347120052.db2.gz JTVWIAOEPQINBX-SSDOTTSWSA-N 0 0 131.194 1.788 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1c[nH]cn1 616614415 347120571 /nfs/dbraw/zinc/12/05/71/347120571.db2.gz FANQFPKCAVNJNI-SNVBAGLBSA-N 0 0 193.250 1.483 10 0 ADAERN CCN1CCCC[C@@H]1c1conn1 616614472 347120618 /nfs/dbraw/zinc/12/06/18/347120618.db2.gz PVHJEEGBVIGUNG-SECBINFHSA-N 0 0 181.239 1.617 10 0 ADAERN CC(C)N1CCCC[C@@H]1c1nc[nH]n1 616614477 347120632 /nfs/dbraw/zinc/12/06/32/347120632.db2.gz QHWOZQBJKVYBPS-SECBINFHSA-N 0 0 194.282 1.740 10 0 ADAERN OCCN1CCCC[C@@H]1c1ncco1 616614510 347120701 /nfs/dbraw/zinc/12/07/01/347120701.db2.gz SONMSAWKGBBOBC-SECBINFHSA-N 0 0 196.250 1.194 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1cnoc1 616614189 347120721 /nfs/dbraw/zinc/12/07/21/347120721.db2.gz AJWAQTWUQKGLIP-SNVBAGLBSA-N 0 0 194.234 1.748 10 0 ADAERN OCCN1CCCC[C@@H]1c1cocn1 616614262 347120930 /nfs/dbraw/zinc/12/09/30/347120930.db2.gz NHERNZOXUDECQR-SNVBAGLBSA-N 0 0 196.250 1.194 10 0 ADAERN CN1CCCC[C@@H]1c1conn1 616614482 347121131 /nfs/dbraw/zinc/12/11/31/347121131.db2.gz QPFXONIDZBISKG-MRVPVSSYSA-N 0 0 167.212 1.226 10 0 ADAERN CN1CCCC[C@H]1OC(F)(F)F 616615214 347121540 /nfs/dbraw/zinc/12/15/40/347121540.db2.gz GMQBOAJEARDWSY-ZCFIWIBFSA-N 0 0 183.173 1.965 10 0 ADAERN CN1CCCC[C@H]1c1conn1 616615752 347121553 /nfs/dbraw/zinc/12/15/53/347121553.db2.gz QPFXONIDZBISKG-QMMMGPOBSA-N 0 0 167.212 1.226 10 0 ADAERN CN1CCCC[C@H]1c1ncccn1 616615159 347121599 /nfs/dbraw/zinc/12/15/99/347121599.db2.gz DWERAJGINNZDHL-VIFPVBQESA-N 0 0 177.251 1.633 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1cnco1 616615494 347121620 /nfs/dbraw/zinc/12/16/20/347121620.db2.gz ZMCZQBCCZRGUMQ-SECBINFHSA-N 0 0 194.234 1.748 10 0 ADAERN NC(=O)N1CCCC[C@@H]1c1cocn1 616615028 347121623 /nfs/dbraw/zinc/12/16/23/347121623.db2.gz DBYFLFOVJNWXNN-MRVPVSSYSA-N 0 0 195.222 1.280 10 0 ADAERN CC(C)N1CCCC[C@H]1c1nc[nH]n1 616615745 347121707 /nfs/dbraw/zinc/12/17/07/347121707.db2.gz QHWOZQBJKVYBPS-VIFPVBQESA-N 0 0 194.282 1.740 10 0 ADAERN CCN1CCCC[C@H]1c1conn1 616615736 347121753 /nfs/dbraw/zinc/12/17/53/347121753.db2.gz PVHJEEGBVIGUNG-VIFPVBQESA-N 0 0 181.239 1.617 10 0 ADAERN NC(=O)N1CCCC[C@@H]1c1ccon1 616615068 347121771 /nfs/dbraw/zinc/12/17/71/347121771.db2.gz DYGPJZCIUUHDKR-MRVPVSSYSA-N 0 0 195.222 1.280 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1ccon1 616615646 347121790 /nfs/dbraw/zinc/12/17/90/347121790.db2.gz DYGPJZCIUUHDKR-QMMMGPOBSA-N 0 0 195.222 1.280 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1ccon1 616615057 347121815 /nfs/dbraw/zinc/12/18/15/347121815.db2.gz QFKUDQJSDYSUMT-SNVBAGLBSA-N 0 0 194.234 1.748 10 0 ADAERN CCN1CCCC[C@H]1F 616615420 347121834 /nfs/dbraw/zinc/12/18/34/347121834.db2.gz JTVWIAOEPQINBX-ZETCQYMHSA-N 0 0 131.194 1.788 10 0 ADAERN NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 616615583 347121839 /nfs/dbraw/zinc/12/18/39/347121839.db2.gz QKCLNBWKBBUYSX-MRVPVSSYSA-N 0 0 194.238 1.015 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1cnoc1 616615533 347121883 /nfs/dbraw/zinc/12/18/83/347121883.db2.gz AJWAQTWUQKGLIP-JTQLQIEISA-N 0 0 194.234 1.748 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1cnno1 616614990 347121957 /nfs/dbraw/zinc/12/19/57/347121957.db2.gz OEMOZGIVJLLETQ-MRVPVSSYSA-N 0 0 195.222 1.143 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1ccno1 616615107 347122029 /nfs/dbraw/zinc/12/20/29/347122029.db2.gz QMDTXEQGGUFLOM-SECBINFHSA-N 0 0 194.234 1.748 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1c[nH]cn1 616615652 347122037 /nfs/dbraw/zinc/12/20/37/347122037.db2.gz FANQFPKCAVNJNI-JTQLQIEISA-N 0 0 193.250 1.483 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1conn1 616615040 347122049 /nfs/dbraw/zinc/12/20/49/347122049.db2.gz PWGVHGJOCOJZAA-SECBINFHSA-N 0 0 195.222 1.143 10 0 ADAERN NC(=O)N1CCCC[C@@H]1c1c[nH]cn1 616615567 347122056 /nfs/dbraw/zinc/12/20/56/347122056.db2.gz QAHQURJUXDTBQW-MRVPVSSYSA-N 0 0 194.238 1.015 10 0 ADAERN CCN1CCCC[C@H]1c1cn[nH]n1 616615423 347122087 /nfs/dbraw/zinc/12/20/87/347122087.db2.gz JYIQCAJBKJWUAP-VIFPVBQESA-N 0 0 180.255 1.352 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1cocn1 616615627 347122114 /nfs/dbraw/zinc/12/21/14/347122114.db2.gz DBYFLFOVJNWXNN-QMMMGPOBSA-N 0 0 195.222 1.280 10 0 ADAERN NC(=O)N1CCCC[C@@H]1C(F)(F)F 616615306 347122161 /nfs/dbraw/zinc/12/21/61/347122161.db2.gz VFGLIMYZMXZWIQ-RXMQYKEDSA-N 0 0 196.172 1.482 10 0 ADAERN NC(=O)N1CCCC[C@@H]1c1cnoc1 616615621 347122213 /nfs/dbraw/zinc/12/22/13/347122213.db2.gz QZKITFZUKSEQRF-MRVPVSSYSA-N 0 0 195.222 1.280 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1cocn1 616614970 347122271 /nfs/dbraw/zinc/12/22/71/347122271.db2.gz NRESHFGBDIGSEE-SNVBAGLBSA-N 0 0 194.234 1.748 10 0 ADAERN NC(=O)N1CCCC[C@@H]1c1ncco1 616615252 347122291 /nfs/dbraw/zinc/12/22/91/347122291.db2.gz JQCCKHAOZCODHV-SSDOTTSWSA-N 0 0 195.222 1.280 10 0 ADAERN CN1CCCC[C@H]1c1ccon1 616615148 347122305 /nfs/dbraw/zinc/12/23/05/347122305.db2.gz DQBIDISGZBCRJB-VIFPVBQESA-N 0 0 166.224 1.831 10 0 ADAERN CC(=O)N1CCCC[C@@H]1c1ncco1 616614939 347122325 /nfs/dbraw/zinc/12/23/25/347122325.db2.gz MVBQHDVXVZFIIX-SECBINFHSA-N 0 0 194.234 1.748 10 0 ADAERN CCOC(=O)N1CCCC[C@H]1C(C)=O 616616546 347122740 /nfs/dbraw/zinc/12/27/40/347122740.db2.gz HYCRIZGHJNVVPW-VIFPVBQESA-N 0 0 199.250 1.586 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1conn1 616616253 347123043 /nfs/dbraw/zinc/12/30/43/347123043.db2.gz PWGVHGJOCOJZAA-VIFPVBQESA-N 0 0 195.222 1.143 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1cnno1 616616178 347122814 /nfs/dbraw/zinc/12/28/14/347122814.db2.gz OEMOZGIVJLLETQ-QMMMGPOBSA-N 0 0 195.222 1.143 10 0 ADAERN CCOC(=O)N1CCCC[C@H]1F 616616834 347122817 /nfs/dbraw/zinc/12/28/17/347122817.db2.gz SOECPVIGLKKAOL-ZETCQYMHSA-N 0 0 175.203 1.924 10 0 ADAERN CCOC(=O)N1CCCC[C@H]1OC 616616926 347122819 /nfs/dbraw/zinc/12/28/19/347122819.db2.gz ZDWMUJSAHMARLR-MRVPVSSYSA-N 0 0 187.239 1.601 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1ncco1 616615993 347122837 /nfs/dbraw/zinc/12/28/37/347122837.db2.gz JQCCKHAOZCODHV-ZETCQYMHSA-N 0 0 195.222 1.280 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1ccno1 616615964 347122858 /nfs/dbraw/zinc/12/28/58/347122858.db2.gz GVDXJJTUAQSOGZ-ZETCQYMHSA-N 0 0 195.222 1.280 10 0 ADAERN OCCN1CCCC[C@H]1c1cocn1 616616415 347122873 /nfs/dbraw/zinc/12/28/73/347122873.db2.gz NHERNZOXUDECQR-JTQLQIEISA-N 0 0 196.250 1.194 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1ccon1 616616264 347122884 /nfs/dbraw/zinc/12/28/84/347122884.db2.gz QFKUDQJSDYSUMT-JTQLQIEISA-N 0 0 194.234 1.748 10 0 ADAERN COC(=O)N1CCCC[C@H]1F 616616771 347122913 /nfs/dbraw/zinc/12/29/13/347122913.db2.gz PODOTKFNPSJLTO-LURJTMIESA-N 0 0 161.176 1.534 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1cnco1 616616582 347122941 /nfs/dbraw/zinc/12/29/41/347122941.db2.gz ZMCZQBCCZRGUMQ-VIFPVBQESA-N 0 0 194.234 1.748 10 0 ADAERN OCCN1CCCC[C@H]1c1ccon1 616616108 347122962 /nfs/dbraw/zinc/12/29/62/347122962.db2.gz HFHVSEVHJFHLKG-JTQLQIEISA-N 0 0 196.250 1.194 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1cocn1 616616072 347123016 /nfs/dbraw/zinc/12/30/16/347123016.db2.gz NRESHFGBDIGSEE-JTQLQIEISA-N 0 0 194.234 1.748 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1ncco1 616616046 347123022 /nfs/dbraw/zinc/12/30/22/347123022.db2.gz MVBQHDVXVZFIIX-VIFPVBQESA-N 0 0 194.234 1.748 10 0 ADAERN NC(=O)N1CCCC[C@@H]1c1cnco1 616615921 347123038 /nfs/dbraw/zinc/12/30/38/347123038.db2.gz XSEQNFLLXUJCGV-SSDOTTSWSA-N 0 0 195.222 1.280 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1c[nH]cn1 616616254 347123067 /nfs/dbraw/zinc/12/30/67/347123067.db2.gz QAHQURJUXDTBQW-QMMMGPOBSA-N 0 0 194.238 1.015 10 0 ADAERN OCCN1CCCC[C@H]1c1ncco1 616616677 347123105 /nfs/dbraw/zinc/12/31/05/347123105.db2.gz SONMSAWKGBBOBC-VIFPVBQESA-N 0 0 196.250 1.194 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1cn[nH]c1 616616266 347123142 /nfs/dbraw/zinc/12/31/42/347123142.db2.gz QKCLNBWKBBUYSX-QMMMGPOBSA-N 0 0 194.238 1.015 10 0 ADAERN NC(=O)N1CCCC[C@H]1C(F)(F)F 616616469 347123161 /nfs/dbraw/zinc/12/31/61/347123161.db2.gz VFGLIMYZMXZWIQ-YFKPBYRVSA-N 0 0 196.172 1.482 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1cnoc1 616616292 347123213 /nfs/dbraw/zinc/12/32/13/347123213.db2.gz QZKITFZUKSEQRF-QMMMGPOBSA-N 0 0 195.222 1.280 10 0 ADAERN NC(=O)N1CCCC[C@H]1c1cnco1 616616525 347123288 /nfs/dbraw/zinc/12/32/88/347123288.db2.gz XSEQNFLLXUJCGV-ZETCQYMHSA-N 0 0 195.222 1.280 10 0 ADAERN CC(=O)N1CCCC[C@H]1c1ccno1 616616274 347123339 /nfs/dbraw/zinc/12/33/39/347123339.db2.gz QMDTXEQGGUFLOM-VIFPVBQESA-N 0 0 194.234 1.748 10 0 ADAERN CCOC(=O)N1CCC[C@H](C(C)=O)C1 616617549 347124080 /nfs/dbraw/zinc/12/40/80/347124080.db2.gz TVNJULZUJWUXGH-VIFPVBQESA-N 0 0 199.250 1.444 10 0 ADAERN COC(=O)N1CCC[C@H](C(F)F)C1 616617308 347124546 /nfs/dbraw/zinc/12/45/46/347124546.db2.gz NQIMNCSRSCSGCF-LURJTMIESA-N 0 0 193.193 1.730 10 0 ADAERN COC(=O)N1CCC[C@@H](C(F)F)C1 616618297 347125092 /nfs/dbraw/zinc/12/50/92/347125092.db2.gz NQIMNCSRSCSGCF-ZCFIWIBFSA-N 0 0 193.193 1.730 10 0 ADAERN CC(=O)N1CCC[C@@H](c2cnoc2)C1 616619161 347125144 /nfs/dbraw/zinc/12/51/44/347125144.db2.gz ALJZETJIMRTTON-SECBINFHSA-N 0 0 194.234 1.401 10 0 ADAERN CC(=O)N1CCC[C@@H](c2cocn2)C1 616619238 347125258 /nfs/dbraw/zinc/12/52/58/347125258.db2.gz DEWIEPDDMDJACM-SECBINFHSA-N 0 0 194.234 1.401 10 0 ADAERN CC(=O)N1CCC[C@@H](c2ncco2)C1 616619168 347125297 /nfs/dbraw/zinc/12/52/97/347125297.db2.gz AUMLRDPOUBUFGQ-SECBINFHSA-N 0 0 194.234 1.401 10 0 ADAERN CC(=O)N1CCC[C@@H](c2ccon2)C1 616619292 347125310 /nfs/dbraw/zinc/12/53/10/347125310.db2.gz FCVPRWFLVVZGEN-SECBINFHSA-N 0 0 194.234 1.401 10 0 ADAERN CCOC(=O)N1CCC[C@@H](C(C)=O)C1 616618719 347125312 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616682832 347167979 /nfs/dbraw/zinc/16/79/79/347167979.db2.gz DCSDXBLHCRELIA-SECBINFHSA-N 0 0 166.199 1.844 10 0 ADAERN CN1C[C@H](F)Nc2ccccc21 616683916 347168047 /nfs/dbraw/zinc/16/80/47/347168047.db2.gz VIQDWULVKFUMJU-SECBINFHSA-N 0 0 166.199 1.844 10 0 ADAERN CO[C@@H]1CNc2ccccc2N1C 616683633 347168180 /nfs/dbraw/zinc/16/81/80/347168180.db2.gz IALLYNXUYWCFDJ-SNVBAGLBSA-N 0 0 178.235 1.521 10 0 ADAERN CCN1c2ccccc2NC[C@H]1OC 616682777 347168195 /nfs/dbraw/zinc/16/81/95/347168195.db2.gz CDQPZYIXACIHCZ-LLVKDONJSA-N 0 0 192.262 1.911 10 0 ADAERN OCCN1C[C@H](F)Nc2ccccc21 616683217 347168212 /nfs/dbraw/zinc/16/82/12/347168212.db2.gz QVKCBJHHSIAJPZ-SNVBAGLBSA-N 0 0 196.225 1.206 10 0 ADAERN OCCN1c2ccccc2NC[C@@H]1F 616682760 347168258 /nfs/dbraw/zinc/16/82/58/347168258.db2.gz BWYVVPPLUZDAHS-SNVBAGLBSA-N 0 0 196.225 1.206 10 0 ADAERN CN1CCO[C@H](OC(F)(F)F)CC1 616686457 347168410 /nfs/dbraw/zinc/16/84/10/347168410.db2.gz KZLHSHOSRPZMDS-ZCFIWIBFSA-N 0 0 199.172 1.201 10 0 ADAERN 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IGPVKGNJRWWKJO-UHFFFAOYSA-N 0 0 179.263 1.655 10 0 ADAERN O=C(N1CCC[C@@H](F)C1)C12CC(C1)C2 628012800 347306308 /nfs/dbraw/zinc/30/63/08/347306308.db2.gz YZYGLEKLXRKHEF-INWMGODYSA-N 0 0 197.253 1.747 10 0 ADAERN CC[C@@H](NC(=O)C12CC(C1)C2)[C@H](C)O 627636245 347306244 /nfs/dbraw/zinc/30/62/44/347306244.db2.gz NWISDRKXLXQSPW-PRXWZZOHSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@H]1C[C@H](NC(=O)C23CC(C2)C3)CO1 627968666 347306258 /nfs/dbraw/zinc/30/62/58/347306258.db2.gz FZDAHUFXMNNWHN-MKOUOCNOSA-N 0 0 195.262 1.080 10 0 ADAERN CC[C@H](NC(=O)C12CC(C1)C2)[C@H](C)O 627636244 347306270 /nfs/dbraw/zinc/30/62/70/347306270.db2.gz NWISDRKXLXQSPW-MKOUOCNOSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@H](CCO)N(C)C(=O)C12CC(C1)C2 628008973 347306275 /nfs/dbraw/zinc/30/62/75/347306275.db2.gz DLUMNFDPUXZUKF-FKTRJACZSA-N 0 0 197.278 1.016 10 0 ADAERN Cc1cocc1C(=O)N[C@H]1CC12CC2 627831399 347306285 /nfs/dbraw/zinc/30/62/85/347306285.db2.gz ZZPVMIMRBLCDLG-VIFPVBQESA-N 0 0 191.230 1.870 10 0 ADAERN O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)C12CC(C1)C2 627839077 347306295 /nfs/dbraw/zinc/30/62/95/347306295.db2.gz BWIGFSFJMBVXBL-CTMBPZADSA-N 0 0 191.274 1.701 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)C23CC(C2)C3)CO1 627968664 347306332 /nfs/dbraw/zinc/30/63/32/347306332.db2.gz FZDAHUFXMNNWHN-AZPRYWSXSA-N 0 0 195.262 1.080 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)C23CC(C2)C3)CO1 627968665 347306344 /nfs/dbraw/zinc/30/63/44/347306344.db2.gz FZDAHUFXMNNWHN-DLMHNBQMSA-N 0 0 195.262 1.080 10 0 ADAERN O=C(N[C@@H]1CC12CC2)C12CC(C1)C2 627831499 347306352 /nfs/dbraw/zinc/30/63/52/347306352.db2.gz DEHZIABBSUZPNP-JKDSDDBFSA-N 0 0 177.247 1.455 10 0 ADAERN COC1CC(C(=O)N[C@@H]2CC23CC3)C1 627831137 347306357 /nfs/dbraw/zinc/30/63/57/347306357.db2.gz HLGYOBKOUOPVRQ-AMDVSUOASA-N 0 0 195.262 1.080 10 0 ADAERN Cc1cocc1C(=O)N[C@@H]1CC12CC2 627831398 347306381 /nfs/dbraw/zinc/30/63/81/347306381.db2.gz ZZPVMIMRBLCDLG-SECBINFHSA-N 0 0 191.230 1.870 10 0 ADAERN O=C(N[C@H]1CC12CC2)C12CC(C1)C2 627831500 347306387 /nfs/dbraw/zinc/30/63/87/347306387.db2.gz DEHZIABBSUZPNP-KAIZJQOQSA-N 0 0 177.247 1.455 10 0 ADAERN CCN(C)Cc1nc(C)c[nH]1 628129708 347306697 /nfs/dbraw/zinc/30/66/97/347306697.db2.gz QGOYQUZSMZPQQI-UHFFFAOYSA-N 0 0 153.229 1.170 10 0 ADAERN O=C(N1CC[C@@H]2C[C@@H]2C1)C12CC(C1)C2 628131440 347306876 /nfs/dbraw/zinc/30/68/76/347306876.db2.gz YHFLHHVEYPGGLG-WDHPUFTPSA-N 0 0 191.274 1.655 10 0 ADAERN COCCN(C)Cc1cnc(C)o1 628129662 347306943 /nfs/dbraw/zinc/30/69/43/347306943.db2.gz OESSLODZEAPTGV-UHFFFAOYSA-N 0 0 184.239 1.061 10 0 ADAERN Cc1ncc(CN2CCO[C@H](C)C2)o1 628127180 347306999 /nfs/dbraw/zinc/30/69/99/347306999.db2.gz XXXDTFLTPOMUOJ-MRVPVSSYSA-N 0 0 196.250 1.204 10 0 ADAERN Cc1ncc(CN2CCSCC2)o1 628129750 347307121 /nfs/dbraw/zinc/30/71/21/347307121.db2.gz SFXUVEJLFSKQLO-UHFFFAOYSA-N 0 0 198.291 1.532 10 0 ADAERN Cc1ncc(CN2CCO[C@@H](C)C2)o1 628127181 347307207 /nfs/dbraw/zinc/30/72/07/347307207.db2.gz XXXDTFLTPOMUOJ-QMMMGPOBSA-N 0 0 196.250 1.204 10 0 ADAERN Cc1ncc(CN2CCCOCC2)o1 628146705 347307972 /nfs/dbraw/zinc/30/79/72/347307972.db2.gz XFKNQOMYVHDNHI-UHFFFAOYSA-N 0 0 196.250 1.205 10 0 ADAERN CO[C@@]1(C)C[C@H]1NC(=O)C12CC(C1)C2 628147683 347307999 /nfs/dbraw/zinc/30/79/99/347307999.db2.gz UYRUXIYXSFBRGV-KOTSIHIOSA-N 0 0 195.262 1.080 10 0 ADAERN Cc1ncc(CN(C)[C@H]2CCOC2)o1 628163727 347308180 /nfs/dbraw/zinc/30/81/80/347308180.db2.gz PFSJJAYCNBVZAR-VIFPVBQESA-N 0 0 196.250 1.204 10 0 ADAERN Cc1ncc(CN(C)CC(F)F)o1 628155651 347308226 /nfs/dbraw/zinc/30/82/26/347308226.db2.gz HTYRUWHDUAJDNK-UHFFFAOYSA-N 0 0 190.193 1.680 10 0 ADAERN Cc1ncc(CN(C)[C@@H]2CCOC2)o1 628163726 347308288 /nfs/dbraw/zinc/30/82/88/347308288.db2.gz PFSJJAYCNBVZAR-SECBINFHSA-N 0 0 196.250 1.204 10 0 ADAERN CC1CC(CNC(=O)C23CC(C2)C3)C1 628194184 347309086 /nfs/dbraw/zinc/30/90/86/347309086.db2.gz BTJYCJWPFGKVJX-UHFFFAOYSA-N 0 0 193.290 1.949 10 0 ADAERN CC12CC(CN1C(=O)C13CC(C1)C3)C2 628172645 347309406 /nfs/dbraw/zinc/30/94/06/347309406.db2.gz PNTQKSBQYJRIBG-UHFFFAOYSA-N 0 0 191.274 1.797 10 0 ADAERN Cc1cocc1C(=O)N1CC=CCN1 628218659 347309978 /nfs/dbraw/zinc/30/99/78/347309978.db2.gz MMSYWKCXJDNEGX-UHFFFAOYSA-N 0 0 192.218 1.105 10 0 ADAERN CC(C)(C(=O)N1CC=CCN1)C1CC1 628221191 347310688 /nfs/dbraw/zinc/31/06/88/347310688.db2.gz YQERORICMPPUNJ-UHFFFAOYSA-N 0 0 194.278 1.326 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N1CC=CCN1 628221303 347310693 /nfs/dbraw/zinc/31/06/93/347310693.db2.gz BYILDEGVVJUURO-SNVBAGLBSA-N 0 0 196.294 1.572 10 0 ADAERN CC[C@H](C)CC(=O)N1CC=CCN1 628221785 347310711 /nfs/dbraw/zinc/31/07/11/347310711.db2.gz UEKPRWCFOAJGOI-VIFPVBQESA-N 0 0 182.267 1.326 10 0 ADAERN CC(C)C[C@H](C)C(=O)N1CC=CCN1 628221302 347310752 /nfs/dbraw/zinc/31/07/52/347310752.db2.gz BYILDEGVVJUURO-JTQLQIEISA-N 0 0 196.294 1.572 10 0 ADAERN C[C@H](C(=O)N1CC=CCN1)C1CCC1 628220488 347310774 /nfs/dbraw/zinc/31/07/74/347310774.db2.gz YMAZFMRSBTXCOL-VIFPVBQESA-N 0 0 194.278 1.326 10 0 ADAERN CC[C@@H](C)CC(=O)N1CC=CCN1 628221784 347310814 /nfs/dbraw/zinc/31/08/14/347310814.db2.gz UEKPRWCFOAJGOI-SECBINFHSA-N 0 0 182.267 1.326 10 0 ADAERN CCCC[C@@H](C)C(=O)N1CC=CCN1 628220908 347310841 /nfs/dbraw/zinc/31/08/41/347310841.db2.gz NWDRQSHWLBJTJZ-SNVBAGLBSA-N 0 0 196.294 1.716 10 0 ADAERN Cc1cc(C(=O)N2CC=CCN2)co1 628221276 347310911 /nfs/dbraw/zinc/31/09/11/347310911.db2.gz BENSEJRKCMDOAD-UHFFFAOYSA-N 0 0 192.218 1.105 10 0 ADAERN C[C@@H](C(=O)N1CC=CCN1)C1CCC1 628220487 347311004 /nfs/dbraw/zinc/31/10/04/347311004.db2.gz YMAZFMRSBTXCOL-SECBINFHSA-N 0 0 194.278 1.326 10 0 ADAERN CCCC[C@H](C)C(=O)N1CC=CCN1 628220907 347311008 /nfs/dbraw/zinc/31/10/08/347311008.db2.gz NWDRQSHWLBJTJZ-JTQLQIEISA-N 0 0 196.294 1.716 10 0 ADAERN CC1(CC(=O)N2CC=CCN2)CC1 628221275 347311025 /nfs/dbraw/zinc/31/10/25/347311025.db2.gz BEBGTGNKEDPBDC-UHFFFAOYSA-N 0 0 180.251 1.080 10 0 ADAERN CCC(C)(C)CC(=O)N1CC=CCN1 628223418 347311533 /nfs/dbraw/zinc/31/15/33/347311533.db2.gz DBBDBRVQEODIDU-UHFFFAOYSA-N 0 0 196.294 1.716 10 0 ADAERN CCC[C@@H](C)C(=O)N1CC=CCN1 628223723 347311319 /nfs/dbraw/zinc/31/13/19/347311319.db2.gz PIPBRGHSFXQOMP-SECBINFHSA-N 0 0 182.267 1.326 10 0 ADAERN C[C@H](C(=O)N1CC=CCN1)C(C)(C)C 628223370 347311329 /nfs/dbraw/zinc/31/13/29/347311329.db2.gz BUZOBARSWVTFML-SECBINFHSA-N 0 0 196.294 1.572 10 0 ADAERN CC(C)[C@H](C)C(=O)N1CC=CCN1 628223667 347311338 /nfs/dbraw/zinc/31/13/38/347311338.db2.gz NPAQHEJMKNYKAR-VIFPVBQESA-N 0 0 182.267 1.182 10 0 ADAERN CCC[C@H](C)C(=O)N1CC=CCN1 628223724 347311405 /nfs/dbraw/zinc/31/14/05/347311405.db2.gz PIPBRGHSFXQOMP-VIFPVBQESA-N 0 0 182.267 1.326 10 0 ADAERN O=C(CCC1CC1)N1CC=CCN1 628223460 347311417 /nfs/dbraw/zinc/31/14/17/347311417.db2.gz FLNKMXFMLVPNCV-UHFFFAOYSA-N 0 0 180.251 1.080 10 0 ADAERN C[C@H]1CCC[C@@H]1C(=O)N1CC=CCN1 628222541 347311427 /nfs/dbraw/zinc/31/14/27/347311427.db2.gz WGOZEAINFFCRED-UWVGGRQHSA-N 0 0 194.278 1.326 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC=CCN1 628222543 347311525 /nfs/dbraw/zinc/31/15/25/347311525.db2.gz WGOZEAINFFCRED-ZJUUUORDSA-N 0 0 194.278 1.326 10 0 ADAERN CC(C)[C@@H](C)C(=O)N1CC=CCN1 628223666 347311528 /nfs/dbraw/zinc/31/15/28/347311528.db2.gz NPAQHEJMKNYKAR-SECBINFHSA-N 0 0 182.267 1.182 10 0 ADAERN CCC1(C(=O)N2CC=CCN2)CC1 628223259 347311550 /nfs/dbraw/zinc/31/15/50/347311550.db2.gz YDNVRRFRCRXMKF-UHFFFAOYSA-N 0 0 180.251 1.080 10 0 ADAERN CC1(C(=O)N2CC=CCN2)CCC1 628222653 347311555 /nfs/dbraw/zinc/31/15/55/347311555.db2.gz AFCCXUUKAGSDQS-UHFFFAOYSA-N 0 0 180.251 1.080 10 0 ADAERN C[C@@H](C(=O)N1CC=CCN1)C(C)(C)C 628223371 347311560 /nfs/dbraw/zinc/31/15/60/347311560.db2.gz BUZOBARSWVTFML-VIFPVBQESA-N 0 0 196.294 1.572 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)N1CC=CCN1 628222540 347311570 /nfs/dbraw/zinc/31/15/70/347311570.db2.gz WGOZEAINFFCRED-NXEZZACHSA-N 0 0 194.278 1.326 10 0 ADAERN O=C(CC1CCC1)N1CC=CCN1 628223812 347311607 /nfs/dbraw/zinc/31/16/07/347311607.db2.gz SADJDDPPIZWBLP-UHFFFAOYSA-N 0 0 180.251 1.080 10 0 ADAERN C[C@H]1CCC[C@H]1C(=O)N1CC=CCN1 628222542 347311609 /nfs/dbraw/zinc/31/16/09/347311609.db2.gz WGOZEAINFFCRED-VHSXEESVSA-N 0 0 194.278 1.326 10 0 ADAERN CC(C)(C)CCC(=O)N1CC=CCN1 628223674 347311644 /nfs/dbraw/zinc/31/16/44/347311644.db2.gz NZYBOBBPLLPTTC-UHFFFAOYSA-N 0 0 196.294 1.716 10 0 ADAERN CCCC1(C(=O)N2CC=CCN2)CC1 628222758 347311670 /nfs/dbraw/zinc/31/16/70/347311670.db2.gz DMFSLPIGHTYOII-UHFFFAOYSA-N 0 0 194.278 1.470 10 0 ADAERN CCCCCC(=O)N1CC=CCN1 628226696 347311987 /nfs/dbraw/zinc/31/19/87/347311987.db2.gz ZWPPJCMCUNZEDA-UHFFFAOYSA-N 0 0 182.267 1.470 10 0 ADAERN O=C(C[C@H]1C=CCC1)N1CC=CCN1 628227111 347312023 /nfs/dbraw/zinc/31/20/23/347312023.db2.gz RTSYKWRZJOIHBJ-JTQLQIEISA-N 0 0 192.262 1.246 10 0 ADAERN CCC(C)(C)C(=O)N1CC=CCN1 628224281 347312026 /nfs/dbraw/zinc/31/20/26/347312026.db2.gz IVZMFPDURKWXCQ-UHFFFAOYSA-N 0 0 182.267 1.326 10 0 ADAERN CCC(CC)C(=O)N1CC=CCN1 628225952 347312049 /nfs/dbraw/zinc/31/20/49/347312049.db2.gz VCRVVGGVIHSBBH-UHFFFAOYSA-N 0 0 182.267 1.326 10 0 ADAERN O=C(C[C@@H]1C=CCC1)N1CC=CCN1 628227112 347312051 /nfs/dbraw/zinc/31/20/51/347312051.db2.gz RTSYKWRZJOIHBJ-SNVBAGLBSA-N 0 0 192.262 1.246 10 0 ADAERN O=C(CC1CCCC1)N1CC=CCN1 628227526 347312074 /nfs/dbraw/zinc/31/20/74/347312074.db2.gz JGVPQPUEEVKAQK-UHFFFAOYSA-N 0 0 194.278 1.470 10 0 ADAERN Cc1ccc(C(=O)N2CC=CCN2)o1 628227819 347312126 /nfs/dbraw/zinc/31/21/26/347312126.db2.gz UIHMWWBZOKEUDT-UHFFFAOYSA-N 0 0 192.218 1.105 10 0 ADAERN CC1(C(=O)N2CC=CCN2)CCCC1 628224556 347312133 /nfs/dbraw/zinc/31/21/33/347312133.db2.gz SDBWDFNKBNODFN-UHFFFAOYSA-N 0 0 194.278 1.470 10 0 ADAERN CC(C)CCC(=O)N1CC=CCN1 628227145 347312151 /nfs/dbraw/zinc/31/21/51/347312151.db2.gz SZIOHGOVXGUVSE-UHFFFAOYSA-N 0 0 182.267 1.326 10 0 ADAERN CCCCC(=O)N1CC=CCN1 628226256 347312170 /nfs/dbraw/zinc/31/21/70/347312170.db2.gz GYXPMNXVWIHLRY-UHFFFAOYSA-N 0 0 168.240 1.080 10 0 ADAERN CC(C)(C)CC(=O)N1CC=CCN1 628226473 347312179 /nfs/dbraw/zinc/31/21/79/347312179.db2.gz PCBPPVLDXOSTLB-UHFFFAOYSA-N 0 0 182.267 1.326 10 0 ADAERN O=C([C@H]1CC=CCC1)N1CC=CCN1 628226576 347312278 /nfs/dbraw/zinc/31/22/78/347312278.db2.gz UGTTUYURURKPAG-JTQLQIEISA-N 0 0 192.262 1.246 10 0 ADAERN O=C([C@@H]1CC=CCC1)N1CC=CCN1 628226577 347312287 /nfs/dbraw/zinc/31/22/87/347312287.db2.gz UGTTUYURURKPAG-SNVBAGLBSA-N 0 0 192.262 1.246 10 0 ADAERN COCC1(NCc2cnc(C)o2)CC1 628230054 347312895 /nfs/dbraw/zinc/31/28/95/347312895.db2.gz RQNUJGYYLMZBAE-UHFFFAOYSA-N 0 0 196.250 1.252 10 0 ADAERN Cc1ncc(CN2CCOC[C@H]2C)o1 628252963 347312929 /nfs/dbraw/zinc/31/29/29/347312929.db2.gz PCVLSVKOVNIXAE-MRVPVSSYSA-N 0 0 196.250 1.204 10 0 ADAERN FC1CN(Cc2cnc(C3CC3)o2)C1 628237347 347312985 /nfs/dbraw/zinc/31/29/85/347312985.db2.gz KMUPSRFDSZTUOO-UHFFFAOYSA-N 0 0 196.225 1.706 10 0 ADAERN Cc1ncc(CN2CC(F)C2)o1 628237547 347313010 /nfs/dbraw/zinc/31/30/10/347313010.db2.gz QSAXIQDCWJDQIP-UHFFFAOYSA-N 0 0 170.187 1.137 10 0 ADAERN Cc1ncc(CN2CC=CCC2)o1 628234938 347313048 /nfs/dbraw/zinc/31/30/48/347313048.db2.gz STWIOMGQWXTSLY-UHFFFAOYSA-N 0 0 178.235 1.745 10 0 ADAERN Cc1nc(CN2CC(F)C2)[nH]c1C 628237324 347313150 /nfs/dbraw/zinc/31/31/50/347313150.db2.gz JDSFCDVLVFXTQG-UHFFFAOYSA-N 0 0 183.230 1.180 10 0 ADAERN COC[C@H]1CCN1Cc1cnc(C)o1 628294273 347313628 /nfs/dbraw/zinc/31/36/28/347313628.db2.gz LHNLPKOOLYQGJP-SECBINFHSA-N 0 0 196.250 1.204 10 0 ADAERN Cc1c[nH]c(CN2[C@H](C)C[C@H]2C)n1 628255652 347313711 /nfs/dbraw/zinc/31/37/11/347313711.db2.gz SVZKRQPBKGDISR-RKDXNWHRSA-N 0 0 179.267 1.701 10 0 ADAERN CC[C@H]1CCN1Cc1nc(C)c[nH]1 628293240 347313735 /nfs/dbraw/zinc/31/37/35/347313735.db2.gz SQXRNLIDCKIFAH-VIFPVBQESA-N 0 0 179.267 1.702 10 0 ADAERN Cc1ncc(CN2CC(C)C2)o1 628255144 347313742 /nfs/dbraw/zinc/31/37/42/347313742.db2.gz CWYHGOXFFWZLKS-UHFFFAOYSA-N 0 0 166.224 1.435 10 0 ADAERN Cc1ncc(CNCC(C)(F)F)o1 628295757 347313763 /nfs/dbraw/zinc/31/37/63/347313763.db2.gz JOYAJVWJGWJGJT-UHFFFAOYSA-N 0 0 190.193 1.728 10 0 ADAERN Cc1c[nH]c(CN2[C@@H](C)C[C@H]2C)n1 628255650 347313780 /nfs/dbraw/zinc/31/37/80/347313780.db2.gz SVZKRQPBKGDISR-DTORHVGOSA-N 0 0 179.267 1.701 10 0 ADAERN COC1(C)CN(Cc2cnc(C)o2)C1 628281414 347313827 /nfs/dbraw/zinc/31/38/27/347313827.db2.gz WWRIRIQQASJHNS-UHFFFAOYSA-N 0 0 196.250 1.204 10 0 ADAERN COC[C@@H]1CCN1Cc1cnc(C)o1 628294274 347313839 /nfs/dbraw/zinc/31/38/39/347313839.db2.gz LHNLPKOOLYQGJP-VIFPVBQESA-N 0 0 196.250 1.204 10 0 ADAERN CC[C@@H]1CCN1Cc1nc(C)c[nH]1 628293239 347313876 /nfs/dbraw/zinc/31/38/76/347313876.db2.gz SQXRNLIDCKIFAH-SECBINFHSA-N 0 0 179.267 1.702 10 0 ADAERN Cc1c[nH]c(CN2CC(C3CC3)C2)n1 628288414 347314006 /nfs/dbraw/zinc/31/40/06/347314006.db2.gz KAQOPGKEBHRRAW-UHFFFAOYSA-N 0 0 191.278 1.560 10 0 ADAERN Cc1c[nH]c(CN2[C@@H](C)C[C@@H]2C)n1 628255651 347314027 /nfs/dbraw/zinc/31/40/27/347314027.db2.gz SVZKRQPBKGDISR-IUCAKERBSA-N 0 0 179.267 1.701 10 0 ADAERN CCOC1CN(Cc2cnc(C)o2)C1 628306385 347314459 /nfs/dbraw/zinc/31/44/59/347314459.db2.gz ZMKKNJYKDSQSIW-UHFFFAOYSA-N 0 0 196.250 1.204 10 0 ADAERN CC[C@@H](C)N(CCO)Cc1cocn1 628301713 347314547 /nfs/dbraw/zinc/31/45/47/347314547.db2.gz DFGCBKMKSCZZAH-SECBINFHSA-N 0 0 198.266 1.267 10 0 ADAERN Cc1ncc(CN2CCC[C@@H](F)C2)o1 628326784 347314597 /nfs/dbraw/zinc/31/45/97/347314597.db2.gz WBFVLDFSZMMHSA-SECBINFHSA-N 0 0 198.241 1.917 10 0 ADAERN Cc1c[nH]c(CN2CC[C@@H]2C2CC2)n1 628297892 347314609 /nfs/dbraw/zinc/31/46/09/347314609.db2.gz OZJZSYJTLVOBQE-SNVBAGLBSA-N 0 0 191.278 1.702 10 0 ADAERN Cc1ncc(CN2CCOC[C@@H]2C)o1 628297899 347314635 /nfs/dbraw/zinc/31/46/35/347314635.db2.gz PCVLSVKOVNIXAE-QMMMGPOBSA-N 0 0 196.250 1.204 10 0 ADAERN Cc1ncc(CN2CC[C@@H](F)C2)o1 628298571 347314845 /nfs/dbraw/zinc/31/48/45/347314845.db2.gz JRRGKXOCJKKBML-MRVPVSSYSA-N 0 0 184.214 1.527 10 0 ADAERN CC[C@H](C)N(CCO)Cc1cocn1 628301714 347314865 /nfs/dbraw/zinc/31/48/65/347314865.db2.gz DFGCBKMKSCZZAH-VIFPVBQESA-N 0 0 198.266 1.267 10 0 ADAERN Cc1ncc(CN2CC[C@H](F)C2)o1 628298572 347314874 /nfs/dbraw/zinc/31/48/74/347314874.db2.gz JRRGKXOCJKKBML-QMMMGPOBSA-N 0 0 184.214 1.527 10 0 ADAERN Cc1c[nH]c(CN2CC[C@H]2C2CC2)n1 628297891 347314901 /nfs/dbraw/zinc/31/49/01/347314901.db2.gz OZJZSYJTLVOBQE-JTQLQIEISA-N 0 0 191.278 1.702 10 0 ADAERN CCCC(=O)NCC[C@H]1CCCOC1 628302814 347314917 /nfs/dbraw/zinc/31/49/17/347314917.db2.gz SIIHKUGYSHNIIT-SNVBAGLBSA-N 0 0 199.294 1.719 10 0 ADAERN Cc1ncc(CN2CCC[C@H](F)C2)o1 628326785 347314923 /nfs/dbraw/zinc/31/49/23/347314923.db2.gz WBFVLDFSZMMHSA-VIFPVBQESA-N 0 0 198.241 1.917 10 0 ADAERN CCCC(=O)NCC[C@@H]1CCCOC1 628302813 347314978 /nfs/dbraw/zinc/31/49/78/347314978.db2.gz SIIHKUGYSHNIIT-JTQLQIEISA-N 0 0 199.294 1.719 10 0 ADAERN c1nn[n-]c1C[NH2+][C@H]1CCCC12CC2 628363973 347315419 /nfs/dbraw/zinc/31/54/19/347315419.db2.gz GTJPUIFSYHUXLP-VIFPVBQESA-N 0 0 192.266 1.227 10 0 ADAERN CO[C@@]1(C)C[C@H]1NCc1cnc(C)o1 628352765 347315653 /nfs/dbraw/zinc/31/56/53/347315653.db2.gz SXSBHWPFCMHTDW-ZJUUUORDSA-N 0 0 196.250 1.250 10 0 ADAERN c1nn[n-]c1C[NH2+][C@@H]1CCCC12CC2 628363972 347315867 /nfs/dbraw/zinc/31/58/67/347315867.db2.gz GTJPUIFSYHUXLP-SECBINFHSA-N 0 0 192.266 1.227 10 0 ADAERN c1nc(CN2C[C@H]3C[C@H]3C2)co1 628409934 347316888 /nfs/dbraw/zinc/31/68/88/347316888.db2.gz CDDAWWIUJHWUKD-OCAPTIKFSA-N 0 0 164.208 1.126 10 0 ADAERN FC1(CN2CC3(CCCO3)C2)CC1 628427492 347318002 /nfs/dbraw/zinc/31/80/02/347318002.db2.gz GDVNROPTRRUFKV-UHFFFAOYSA-N 0 0 185.242 1.353 10 0 ADAERN C/C=C/CNCc1cc(COC)on1 628460064 347318008 /nfs/dbraw/zinc/31/80/08/347318008.db2.gz FQQAUPNICLHFFM-ONEGZZNKSA-N 0 0 196.250 1.487 10 0 ADAERN CCC(F)(F)CNC1CSC1 628435745 347318022 /nfs/dbraw/zinc/31/80/22/347318022.db2.gz YNLZQGBRLRNGDM-UHFFFAOYSA-N 0 0 181.251 1.737 10 0 ADAERN CN(Cc1cocn1)CC1(C)COC1 628424125 347318090 /nfs/dbraw/zinc/31/80/90/347318090.db2.gz ZAMJAMWRHKKSCN-UHFFFAOYSA-N 0 0 196.250 1.143 10 0 ADAERN CCC(F)(F)CNC1CC(OC)C1 628435236 347318110 /nfs/dbraw/zinc/31/81/10/347318110.db2.gz CTINVVKWBYHCJY-UHFFFAOYSA-N 0 0 193.237 1.799 10 0 ADAERN Cc1ncc(C[N@H+]2C[C@H]3C[C@H]3C2)n1C 628411400 347318134 /nfs/dbraw/zinc/31/81/34/347318134.db2.gz FQDFFSTULCSMCL-AOOOYVTPSA-N 0 0 191.278 1.180 10 0 ADAERN c1coc(CN2CC3(CCCO3)C2)c1 628426778 347318169 /nfs/dbraw/zinc/31/81/69/347318169.db2.gz LECNRNOHVWBOAB-UHFFFAOYSA-N 0 0 193.246 1.644 10 0 ADAERN c1nc(CN2CC3(CCCO3)C2)co1 628427716 347318470 /nfs/dbraw/zinc/31/84/70/347318470.db2.gz VGLVRNSOVZZMAU-UHFFFAOYSA-N 0 0 194.234 1.039 10 0 ADAERN C/C=C\CNCc1cc(COC)on1 628460063 347318478 /nfs/dbraw/zinc/31/84/78/347318478.db2.gz FQQAUPNICLHFFM-ARJAWSKDSA-N 0 0 196.250 1.487 10 0 ADAERN Cc1cc(C(=O)N2C[C@H]3C[C@H]3C2)on1 628500395 347319437 /nfs/dbraw/zinc/31/94/37/347319437.db2.gz ABALKFDEAITTLF-OCAPTIKFSA-N 0 0 192.218 1.075 10 0 ADAERN O=C(c1ccc[nH]1)N1C[C@H]2C[C@H]2C1 628500495 347319617 /nfs/dbraw/zinc/31/96/17/347319617.db2.gz BXPTZOXSASJJNR-OCAPTIKFSA-N 0 0 176.219 1.107 10 0 ADAERN CCO[C@@H](CC)C(=O)N1C[C@H]2C[C@H]2C1 628507460 347319956 /nfs/dbraw/zinc/31/99/56/347319956.db2.gz CAHDBWZXJNFSLG-AEJSXWLSSA-N 0 0 197.278 1.280 10 0 ADAERN CC[C@@H](C)C(=O)N1C[C@H]2C[C@H]2C1 628503393 347319960 /nfs/dbraw/zinc/31/99/60/347319960.db2.gz FQGGBCHKRXYGLC-HLTSFMKQSA-N 0 0 167.252 1.511 10 0 ADAERN CCOCCCC(=O)N1C[C@H]2C[C@H]2C1 628504484 347320011 /nfs/dbraw/zinc/32/00/11/347320011.db2.gz HNRUUXUPEXSTNX-AOOOYVTPSA-N 0 0 197.278 1.281 10 0 ADAERN CC[C@H](C)C(=O)N1C[C@H]2C[C@H]2C1 628503394 347320017 /nfs/dbraw/zinc/32/00/17/347320017.db2.gz FQGGBCHKRXYGLC-XHNCKOQMSA-N 0 0 167.252 1.511 10 0 ADAERN CC(=O)CCCC(=O)N1C[C@H]2C[C@H]2C1 628502136 347320025 /nfs/dbraw/zinc/32/00/25/347320025.db2.gz HYYMNTDSNUFQBY-AOOOYVTPSA-N 0 0 195.262 1.224 10 0 ADAERN Cc1ocnc1C(=O)N1C[C@H]2C[C@H]2C1 628506396 347320080 /nfs/dbraw/zinc/32/00/80/347320080.db2.gz BTASLRNCBIYHDC-OCAPTIKFSA-N 0 0 192.218 1.075 10 0 ADAERN CCO[C@H](CC)C(=O)N1C[C@H]2C[C@H]2C1 628507461 347320113 /nfs/dbraw/zinc/32/01/13/347320113.db2.gz CAHDBWZXJNFSLG-KXUCPTDWSA-N 0 0 197.278 1.280 10 0 ADAERN O=C(CC(F)(F)F)N1C[C@H]2C[C@H]2C1 628507477 347320497 /nfs/dbraw/zinc/32/04/97/347320497.db2.gz CHXXHDQZCUXBMT-OLQVQODUSA-N 0 0 193.168 1.417 10 0 ADAERN COCCCCC(=O)N1C[C@H]2C[C@H]2C1 628507571 347320508 /nfs/dbraw/zinc/32/05/08/347320508.db2.gz DUAHSGWPRPSBBW-AOOOYVTPSA-N 0 0 197.278 1.281 10 0 ADAERN CC(C)[C@@H](C)C(=O)N1C[C@H]2C[C@H]2C1 628508934 347320570 /nfs/dbraw/zinc/32/05/70/347320570.db2.gz CPZLDEIEBFNFEI-BBBLOLIVSA-N 0 0 181.279 1.757 10 0 ADAERN O=C(CC1CCC1)N1C[C@H]2C[C@H]2C1 628510428 347320572 /nfs/dbraw/zinc/32/05/72/347320572.db2.gz ATZYCQINJYNCQN-AOOOYVTPSA-N 0 0 179.263 1.655 10 0 ADAERN CC(C)[C@H](C)C(=O)N1C[C@H]2C[C@H]2C1 628508937 347320579 /nfs/dbraw/zinc/32/05/79/347320579.db2.gz CPZLDEIEBFNFEI-LPEHRKFASA-N 0 0 181.279 1.757 10 0 ADAERN O=C([C@@H]1CCSC1)N1C[C@H]2C[C@H]2C1 628512223 347320804 /nfs/dbraw/zinc/32/08/04/347320804.db2.gz FSEZZWNMXNAWQQ-HLTSFMKQSA-N 0 0 197.303 1.218 10 0 ADAERN O=C(C1CC=CC1)N1C[C@H]2C[C@H]2C1 628510731 347320865 /nfs/dbraw/zinc/32/08/65/347320865.db2.gz HCGOFCVGKROPRK-AOOOYVTPSA-N 0 0 177.247 1.431 10 0 ADAERN O=C([C@H]1CCSC1)N1C[C@H]2C[C@H]2C1 628512226 347320901 /nfs/dbraw/zinc/32/09/01/347320901.db2.gz FSEZZWNMXNAWQQ-XHNCKOQMSA-N 0 0 197.303 1.218 10 0 ADAERN COCC(C)(C)C(=O)N1C[C@H]2C[C@H]2C1 628511983 347320907 /nfs/dbraw/zinc/32/09/07/347320907.db2.gz AYWDRORXGOTUIN-DTORHVGOSA-N 0 0 197.278 1.137 10 0 ADAERN CC[C@@H](C)OCC(=O)N1C[C@H]2C[C@H]2C1 628512322 347320928 /nfs/dbraw/zinc/32/09/28/347320928.db2.gz HAKTZGWTQHJAPB-BBBLOLIVSA-N 0 0 197.278 1.280 10 0 ADAERN O=C([C@@H]1CCCS1)N1C[C@H]2C[C@H]2C1 628510437 347320937 /nfs/dbraw/zinc/32/09/37/347320937.db2.gz AVJDAYDNSSSONP-YIZRAAEISA-N 0 0 197.303 1.360 10 0 ADAERN O=C([C@H]1CCCS1)N1C[C@H]2C[C@H]2C1 628510436 347320967 /nfs/dbraw/zinc/32/09/67/347320967.db2.gz AVJDAYDNSSSONP-HRDYMLBCSA-N 0 0 197.303 1.360 10 0 ADAERN CC[C@H](C)OCC(=O)N1C[C@H]2C[C@H]2C1 628512325 347320971 /nfs/dbraw/zinc/32/09/71/347320971.db2.gz HAKTZGWTQHJAPB-LPEHRKFASA-N 0 0 197.278 1.280 10 0 ADAERN O=C(C1=CCCC1)N1C[C@H]2C[C@H]2C1 628512401 347320996 /nfs/dbraw/zinc/32/09/96/347320996.db2.gz IFDUFDPXSKOWBM-AOOOYVTPSA-N 0 0 177.247 1.575 10 0 ADAERN C[C@@]1(C(=O)N2C[C@H]3C[C@H]3C2)CCCO1 628512757 347321276 /nfs/dbraw/zinc/32/12/76/347321276.db2.gz NWCGFQUOFYDRGU-NGZCFLSTSA-N 0 0 195.262 1.034 10 0 ADAERN C[C@]1(C(=O)N2C[C@H]3C[C@H]3C2)CCCO1 628512758 347321282 /nfs/dbraw/zinc/32/12/82/347321282.db2.gz NWCGFQUOFYDRGU-WCABBAIRSA-N 0 0 195.262 1.034 10 0 ADAERN CO[C@H](C(=O)N1C[C@H]2C[C@H]2C1)C(C)C 628513732 347321291 /nfs/dbraw/zinc/32/12/91/347321291.db2.gz FWKCMVFBNYOVIM-AEJSXWLSSA-N 0 0 197.278 1.136 10 0 ADAERN CO[C@@H](C(=O)N1C[C@H]2C[C@H]2C1)C(C)C 628513735 347321306 /nfs/dbraw/zinc/32/13/06/347321306.db2.gz FWKCMVFBNYOVIM-KXUCPTDWSA-N 0 0 197.278 1.136 10 0 ADAERN COC1(C(=O)N2C[C@H]3C[C@H]3C2)CCC1 628513667 347321314 /nfs/dbraw/zinc/32/13/14/347321314.db2.gz DVVMBFPRDGIWJO-DTORHVGOSA-N 0 0 195.262 1.034 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)N1C[C@H]2C[C@H]2C1 628514679 347321320 /nfs/dbraw/zinc/32/13/20/347321320.db2.gz VWKRUNQCEGOWGB-MAUMQABQSA-N 0 0 165.236 1.121 10 0 ADAERN 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629036822 347331144 /nfs/dbraw/zinc/33/11/44/347331144.db2.gz IPDGZYCEGOZEHX-SNAWJCMRSA-N 0 0 193.250 1.034 10 0 ADAERN C/C=C\CNC(=O)[C@H]1CCSC1 629038314 347331436 /nfs/dbraw/zinc/33/14/36/347331436.db2.gz LZBQXOUYCUNLQE-KZUAUGPASA-N 0 0 185.292 1.432 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1CCCCO1 629037969 347331440 /nfs/dbraw/zinc/33/14/40/347331440.db2.gz JTBFFLXAYOLAQP-XADBCAIWSA-N 0 0 183.251 1.248 10 0 ADAERN C/C=C/CNC(=O)[C@@H](C)C(F)(F)F 629038682 347331441 /nfs/dbraw/zinc/33/14/41/347331441.db2.gz QRKIZBJWCLQPRV-FCJGRKLLSA-N 0 0 195.184 1.877 10 0 ADAERN C/C=C\CNC(=O)c1ccc(C)nc1 629038545 347331444 /nfs/dbraw/zinc/33/14/44/347331444.db2.gz LIPPGMVGBGTTMW-ARJAWSKDSA-N 0 0 190.246 1.696 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)C(F)(F)F 629038684 347331452 /nfs/dbraw/zinc/33/14/52/347331452.db2.gz QRKIZBJWCLQPRV-SYDCGGLASA-N 0 0 195.184 1.877 10 0 ADAERN C/C=C\CNC(=O)c1ccc(C)n1C 629039014 347331454 /nfs/dbraw/zinc/33/14/54/347331454.db2.gz NHJHVFMETWRKKQ-PLNGDYQASA-N 0 0 192.262 1.639 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1C[C@@H]1OCC 629038328 347331459 /nfs/dbraw/zinc/33/14/59/347331459.db2.gz NAYUUIPWWJWVRR-ZHBVTVBMSA-N 0 0 183.251 1.104 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)CC 629039038 347331462 /nfs/dbraw/zinc/33/14/62/347331462.db2.gz NPUOYJGONIMLOS-RZAAKKIOSA-N 0 0 155.241 1.725 10 0 ADAERN C/C=C\CNC(=O)c1cc(C)ncn1 629038254 347331470 /nfs/dbraw/zinc/33/14/70/347331470.db2.gz LGSBLLJKLZIOPE-ARJAWSKDSA-N 0 0 191.234 1.091 10 0 ADAERN C/C=C/CNC(=O)C[C@H]1CCCCO1 629037950 347331473 /nfs/dbraw/zinc/33/14/73/347331473.db2.gz JOKDCVAUKXLDSV-VMZHVLLKSA-N 0 0 197.278 1.638 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1CCSC1 629038326 347331481 /nfs/dbraw/zinc/33/14/81/347331481.db2.gz LZBQXOUYCUNLQE-YAJNLLPGSA-N 0 0 185.292 1.432 10 0 ADAERN C/C=C/CNC(=O)CCn1cccc1 629038171 347331485 /nfs/dbraw/zinc/33/14/85/347331485.db2.gz OONZWONQMYJLBK-NSCUHMNNSA-N 0 0 192.262 1.571 10 0 ADAERN C/C=C/CNC(=O)Cc1ccco1 629037978 347331486 /nfs/dbraw/zinc/33/14/86/347331486.db2.gz JZKNHMIIDMSUGV-NSCUHMNNSA-N 0 0 179.219 1.514 10 0 ADAERN C/C=C\CNC(=O)c1oc(C)nc1C 629038176 347331493 /nfs/dbraw/zinc/33/14/93/347331493.db2.gz OQBDWCQVMHNCQH-PLNGDYQASA-N 0 0 194.234 1.597 10 0 ADAERN C/C=C\CNC(=O)c1ccnc(C)n1 629038283 347331500 /nfs/dbraw/zinc/33/15/00/347331500.db2.gz MXKUFIKLFQYWEH-ARJAWSKDSA-N 0 0 191.234 1.091 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1C[C@H]1OCC 629038325 347331504 /nfs/dbraw/zinc/33/15/04/347331504.db2.gz NAYUUIPWWJWVRR-NUDHGDNISA-N 0 0 183.251 1.104 10 0 ADAERN C/C=C/CNC(=O)[C@H]1CCCCO1 629037962 347331510 /nfs/dbraw/zinc/33/15/10/347331510.db2.gz JTBFFLXAYOLAQP-GKQMSVHHSA-N 0 0 183.251 1.248 10 0 ADAERN C/C=C/CNC(=O)c1ccc(C)n1C 629039016 347331522 /nfs/dbraw/zinc/33/15/22/347331522.db2.gz NHJHVFMETWRKKQ-SNAWJCMRSA-N 0 0 192.262 1.639 10 0 ADAERN C/C=C\CNC(=O)C[C@@H]1CCCCO1 629037951 347331524 /nfs/dbraw/zinc/33/15/24/347331524.db2.gz JOKDCVAUKXLDSV-ZMWSMAPVSA-N 0 0 197.278 1.638 10 0 ADAERN C/C=C\CNC(=O)[C@@H](C)C(F)(F)F 629038683 347331537 /nfs/dbraw/zinc/33/15/37/347331537.db2.gz QRKIZBJWCLQPRV-KGJQDRRLSA-N 0 0 195.184 1.877 10 0 ADAERN C/C=C/CNC(=O)[C@H](C)C(C)C 629038705 347331541 /nfs/dbraw/zinc/33/15/41/347331541.db2.gz QWGPNDNGFNYTDH-VUHVRTRXSA-N 0 0 169.268 1.971 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1C[C@@H]1OCC 629038323 347331543 /nfs/dbraw/zinc/33/15/43/347331543.db2.gz NAYUUIPWWJWVRR-DEEBLQPQSA-N 0 0 183.251 1.104 10 0 ADAERN C/C=C\CNC(=O)[C@@H](C)C(C)C 629038704 347331547 /nfs/dbraw/zinc/33/15/47/347331547.db2.gz QWGPNDNGFNYTDH-UDIARPCQSA-N 0 0 169.268 1.971 10 0 ADAERN C/C=C\CNC(=O)C1(O)CCCCC1 629038265 347331549 /nfs/dbraw/zinc/33/15/49/347331549.db2.gz LNQLRVJDGBOXQA-IHWYPQMZSA-N 0 0 197.278 1.374 10 0 ADAERN C/C=C/CNC(=O)c1oc(C)nc1C 629038177 347331554 /nfs/dbraw/zinc/33/15/54/347331554.db2.gz OQBDWCQVMHNCQH-SNAWJCMRSA-N 0 0 194.234 1.597 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1CCSC1 629038324 347331562 /nfs/dbraw/zinc/33/15/62/347331562.db2.gz LZBQXOUYCUNLQE-UFUPEUMYSA-N 0 0 185.292 1.432 10 0 ADAERN C/C=C\CNC(=O)C1CC=CC1 629038623 347331566 /nfs/dbraw/zinc/33/15/66/347331566.db2.gz PZVJGQAGUZFNAK-IHWYPQMZSA-N 0 0 165.236 1.645 10 0 ADAERN C/C=C/CNC(=O)c1ccc(C)nc1 629038547 347331580 /nfs/dbraw/zinc/33/15/80/347331580.db2.gz LIPPGMVGBGTTMW-ONEGZZNKSA-N 0 0 190.246 1.696 10 0 ADAERN C/C=C/CNC(=O)C1(O)CCCCC1 629038266 347331585 /nfs/dbraw/zinc/33/15/85/347331585.db2.gz LNQLRVJDGBOXQA-NSCUHMNNSA-N 0 0 197.278 1.374 10 0 ADAERN C/C=C\CNC(=O)c1cccn1C 629038489 347331598 /nfs/dbraw/zinc/33/15/98/347331598.db2.gz LAIFLTPGKQSSOO-ARJAWSKDSA-N 0 0 178.235 1.331 10 0 ADAERN CC=CCNC(=O)c1cc(CC)n[nH]1 629038533 347331602 /nfs/dbraw/zinc/33/16/02/347331602.db2.gz NXSNQNGYSQBZBM-HWKANZROSA-N 0 0 193.250 1.278 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1CCCCO1 629037964 347331620 /nfs/dbraw/zinc/33/16/20/347331620.db2.gz JTBFFLXAYOLAQP-HPOULIHZSA-N 0 0 183.251 1.248 10 0 ADAERN C/C=C/CNC(=O)c1cccn1C 629038492 347331628 /nfs/dbraw/zinc/33/16/28/347331628.db2.gz LAIFLTPGKQSSOO-ONEGZZNKSA-N 0 0 178.235 1.331 10 0 ADAERN C/C=C\CNC(=O)c1ccn(C)c1 629038270 347331631 /nfs/dbraw/zinc/33/16/31/347331631.db2.gz LOVWVJKTSIWJFZ-ARJAWSKDSA-N 0 0 178.235 1.331 10 0 ADAERN C/C=C/CNC(=O)[C@H]1CCSC1 629038322 347331633 /nfs/dbraw/zinc/33/16/33/347331633.db2.gz LZBQXOUYCUNLQE-SGJFDWMWSA-N 0 0 185.292 1.432 10 0 ADAERN CC=CCNC(=O)c1cc(CC)n[nH]1 629038539 347331635 /nfs/dbraw/zinc/33/16/35/347331635.db2.gz NXSNQNGYSQBZBM-HYXAFXHYSA-N 0 0 193.250 1.278 10 0 ADAERN C/C=C/CNC(=O)[C@@H](C)C(C)C 629038702 347331640 /nfs/dbraw/zinc/33/16/40/347331640.db2.gz QWGPNDNGFNYTDH-CYNONHLPSA-N 0 0 169.268 1.971 10 0 ADAERN C/C=C/CNC(=O)c1cccc(C)n1 629039043 347331644 /nfs/dbraw/zinc/33/16/44/347331644.db2.gz NRVPGTCKULJXIO-ONEGZZNKSA-N 0 0 190.246 1.696 10 0 ADAERN C/C=C/CNC(=O)c1ccn(C)c1 629038271 347331649 /nfs/dbraw/zinc/33/16/49/347331649.db2.gz LOVWVJKTSIWJFZ-ONEGZZNKSA-N 0 0 178.235 1.331 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)C(C)C 629038703 347331652 /nfs/dbraw/zinc/33/16/52/347331652.db2.gz QWGPNDNGFNYTDH-SSJHQANKSA-N 0 0 169.268 1.971 10 0 ADAERN C/C=C/CNC(=O)C1CC=CC1 629038626 347331655 /nfs/dbraw/zinc/33/16/55/347331655.db2.gz PZVJGQAGUZFNAK-NSCUHMNNSA-N 0 0 165.236 1.645 10 0 ADAERN C/C=C\CNC(=O)C1CCC(=O)CC1 629039026 347331680 /nfs/dbraw/zinc/33/16/80/347331680.db2.gz RVQFRNXJNIXQOK-IHWYPQMZSA-N 0 0 195.262 1.438 10 0 ADAERN C/C=C/CNC(=O)C1CC(F)(F)C1 629038020 347331682 /nfs/dbraw/zinc/33/16/82/347331682.db2.gz KLZNQRBOAPMEMT-NSCUHMNNSA-N 0 0 189.205 1.724 10 0 ADAERN C/C=C\CNC(=O)Cc1ccco1 629037977 347331686 /nfs/dbraw/zinc/33/16/86/347331686.db2.gz JZKNHMIIDMSUGV-IHWYPQMZSA-N 0 0 179.219 1.514 10 0 ADAERN C/C=C/CNC(=O)C1CCC(=O)CC1 629039028 347331689 /nfs/dbraw/zinc/33/16/89/347331689.db2.gz RVQFRNXJNIXQOK-NSCUHMNNSA-N 0 0 195.262 1.438 10 0 ADAERN C/C=C\CNC(=O)C1CCOCC1 629038886 347331697 /nfs/dbraw/zinc/33/16/97/347331697.db2.gz GEQKTEMLFRFBMS-IHWYPQMZSA-N 0 0 183.251 1.105 10 0 ADAERN C/C=C\CNC(=O)CCn1cccc1 629038170 347331700 /nfs/dbraw/zinc/33/17/00/347331700.db2.gz OONZWONQMYJLBK-IHWYPQMZSA-N 0 0 192.262 1.571 10 0 ADAERN C/C=C/CNC(=O)C1CCOCC1 629038889 347331703 /nfs/dbraw/zinc/33/17/03/347331703.db2.gz GEQKTEMLFRFBMS-NSCUHMNNSA-N 0 0 183.251 1.105 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1C[C@H]1OCC 629038330 347331713 /nfs/dbraw/zinc/33/17/13/347331713.db2.gz NAYUUIPWWJWVRR-ZZDZINKYSA-N 0 0 183.251 1.104 10 0 ADAERN C/C=C/CNC(=O)c1ccnc(C)n1 629038284 347331717 /nfs/dbraw/zinc/33/17/17/347331717.db2.gz MXKUFIKLFQYWEH-ONEGZZNKSA-N 0 0 191.234 1.091 10 0 ADAERN C/C=C\CNC(=O)[C@H]1CCCCO1 629037967 347331720 /nfs/dbraw/zinc/33/17/20/347331720.db2.gz JTBFFLXAYOLAQP-PKRMOACSSA-N 0 0 183.251 1.248 10 0 ADAERN C/C=C/CNC(=O)c1cc(C)ncn1 629038255 347331723 /nfs/dbraw/zinc/33/17/23/347331723.db2.gz LGSBLLJKLZIOPE-ONEGZZNKSA-N 0 0 191.234 1.091 10 0 ADAERN CC=CCNC(=O)c1cnc(C)[nH]1 629038675 347331729 /nfs/dbraw/zinc/33/17/29/347331729.db2.gz QPAUYSYVIVJJLH-ONEGZZNKSA-N 0 0 179.223 1.024 10 0 ADAERN C/C=C\CNC(=O)c1cccc(C)n1 629039039 347331736 /nfs/dbraw/zinc/33/17/36/347331736.db2.gz NRVPGTCKULJXIO-ARJAWSKDSA-N 0 0 190.246 1.696 10 0 ADAERN C/C=C\CNC(=O)[C@@H](C)CC 629039029 347331747 /nfs/dbraw/zinc/33/17/47/347331747.db2.gz NPUOYJGONIMLOS-HORMHSFOSA-N 0 0 155.241 1.725 10 0 ADAERN CC=CCNC(=O)c1cnc(C)[nH]1 629038674 347331750 /nfs/dbraw/zinc/33/17/50/347331750.db2.gz QPAUYSYVIVJJLH-ARJAWSKDSA-N 0 0 179.223 1.024 10 0 ADAERN C/C=C\CNC(=O)C1CC(F)(F)C1 629038019 347331760 /nfs/dbraw/zinc/33/17/60/347331760.db2.gz KLZNQRBOAPMEMT-IHWYPQMZSA-N 0 0 189.205 1.724 10 0 ADAERN C/C=C\CNC(=O)CC[C@H]1CCCO1 629039958 347332054 /nfs/dbraw/zinc/33/20/54/347332054.db2.gz UKPAELYHGKHSPQ-MXQLGCADSA-N 0 0 197.278 1.638 10 0 ADAERN C/C=C\CNC(=O)CC[C@@H]1CCOC1 629039895 347332083 /nfs/dbraw/zinc/33/20/83/347332083.db2.gz PJEWVSOSIUDDFB-MXQLGCADSA-N 0 0 197.278 1.495 10 0 ADAERN C/C=C/CNC(=O)[C@H]1CCCS1 629039914 347332042 /nfs/dbraw/zinc/33/20/42/347332042.db2.gz UYDQLWNSIJBSAQ-UFUPEUMYSA-N 0 0 185.292 1.574 10 0 ADAERN C/C=C\CNC(=O)c1ccnnc1C 629040379 347332063 /nfs/dbraw/zinc/33/20/63/347332063.db2.gz RKGDNWLTMMFNKD-ARJAWSKDSA-N 0 0 191.234 1.091 10 0 ADAERN C/C=C\CNC(=O)Cc1cc(C)on1 629040022 347332065 /nfs/dbraw/zinc/33/20/65/347332065.db2.gz VONGSTXCSYMJPQ-ARJAWSKDSA-N 0 0 194.234 1.218 10 0 ADAERN C/C=C\CNC(=O)CC[C@H]1CCOC1 629039898 347332068 /nfs/dbraw/zinc/33/20/68/347332068.db2.gz PJEWVSOSIUDDFB-ZMWSMAPVSA-N 0 0 197.278 1.495 10 0 ADAERN C/C=C/CNC(=O)c1ccoc1C 629040719 347332071 /nfs/dbraw/zinc/33/20/71/347332071.db2.gz MLJWHRKPJWELFS-ONEGZZNKSA-N 0 0 179.219 1.894 10 0 ADAERN C/C=C/CNC(=O)c1occc1C 629040836 347332088 /nfs/dbraw/zinc/33/20/88/347332088.db2.gz URXYZIVFCRQEJO-ONEGZZNKSA-N 0 0 179.219 1.894 10 0 ADAERN C/C=C\CNC(=O)CCOCC(C)C 629039172 347332091 /nfs/dbraw/zinc/33/20/91/347332091.db2.gz QBTMXYPPGDXLRV-PLNGDYQASA-N 0 0 199.294 1.741 10 0 ADAERN C/C=C\CNC(=O)c1occc1C 629040835 347332094 /nfs/dbraw/zinc/33/20/94/347332094.db2.gz URXYZIVFCRQEJO-ARJAWSKDSA-N 0 0 179.219 1.894 10 0 ADAERN C/C=C\CNC(=O)c1scnc1C 629039918 347332101 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347333415 /nfs/dbraw/zinc/33/34/15/347333415.db2.gz XZDONNYCIITCJG-HWKANZROSA-N 0 0 171.240 1.105 10 0 ADAERN C/C=C/CNC(=O)c1ncoc1C 629043135 347333417 /nfs/dbraw/zinc/33/34/17/347333417.db2.gz MUAXAGYAFZSCHY-ONEGZZNKSA-N 0 0 180.207 1.289 10 0 ADAERN C/C=C/CNC(=O)c1cnc(C)cn1 629044112 347333433 /nfs/dbraw/zinc/33/34/33/347333433.db2.gz MZMHHGQHQQUVSV-ONEGZZNKSA-N 0 0 191.234 1.091 10 0 ADAERN C/C=C\CNC(=O)[C@@H](CC)OCC 629043460 347333442 /nfs/dbraw/zinc/33/34/42/347333442.db2.gz PUJQQOZWFGHSHM-WQAKUFEDSA-N 0 0 185.267 1.494 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)OCC1CC1 629044368 347333447 /nfs/dbraw/zinc/33/34/47/347333447.db2.gz VTNTXLPGNVUQGM-TYRPZCRBSA-N 0 0 197.278 1.494 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)OCCCC 629042578 347333452 /nfs/dbraw/zinc/33/34/52/347333452.db2.gz JFCHTEFLEKHIFY-OAQKJQOQSA-N 0 0 199.294 1.884 10 0 ADAERN C/C=C/CNC(=O)[C@H](CC)OCC 629043459 347333460 /nfs/dbraw/zinc/33/34/60/347333460.db2.gz PUJQQOZWFGHSHM-IYNCYZAOSA-N 0 0 185.267 1.494 10 0 ADAERN C/C=C/CNC(=O)[C@H](C)OCC1CC1 629044366 347333467 /nfs/dbraw/zinc/33/34/67/347333467.db2.gz VTNTXLPGNVUQGM-NWALNABHSA-N 0 0 197.278 1.494 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1C[C@@H]1C 629044497 347333470 /nfs/dbraw/zinc/33/34/70/347333470.db2.gz OPTBUVBIWWZVQO-UIPXTHJYSA-N 0 0 153.225 1.335 10 0 ADAERN C/C=C/CNC(=O)[C@H](C)OCCCC 629042579 347333474 /nfs/dbraw/zinc/33/34/74/347333474.db2.gz JFCHTEFLEKHIFY-RWCYGVJQSA-N 0 0 199.294 1.884 10 0 ADAERN C/C=C\CNC(=O)[C@H](CC)OCC 629043461 347333485 /nfs/dbraw/zinc/33/34/85/347333485.db2.gz PUJQQOZWFGHSHM-WYDVEAGSSA-N 0 0 185.267 1.494 10 0 ADAERN C/C=C\CNC(=O)Cc1ccsc1 629042244 347333488 /nfs/dbraw/zinc/33/34/88/347333488.db2.gz CNQGJVWVUDGSGT-IHWYPQMZSA-N 0 0 195.287 1.983 10 0 ADAERN C[C@@]1(CNC(=O)C2CC2)C[C@@H]2C[C@@H]2C1 629054960 347333847 /nfs/dbraw/zinc/33/38/47/347333847.db2.gz KLCBEIPYEKCBQU-IAZYJMLFSA-N 0 0 193.290 1.949 10 0 ADAERN C/C=C\CNC(=O)CCOCC 629044672 347333982 /nfs/dbraw/zinc/33/39/82/347333982.db2.gz 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C[C@@H]1C[C@H]1CSc1nc[nH]n1 629089119 347334843 /nfs/dbraw/zinc/33/48/43/347334843.db2.gz GBJXEXDJTNOKKS-RITPCOANSA-N 0 0 169.253 1.553 10 0 ADAERN CC(C)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 629137469 347335002 /nfs/dbraw/zinc/33/50/02/347335002.db2.gz FFPUYMVQTDGUAP-UWVGGRQHSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@H]1C[C@@H]1Cn1ccsc1=O 629157403 347335029 /nfs/dbraw/zinc/33/50/29/347335029.db2.gz OGWUYAKHSDVELZ-NKWVEPMBSA-N 0 0 169.249 1.566 10 0 ADAERN C[C@@H]1C[C@H]1Cn1nnnc1C(C)(C)C 629143699 347335037 /nfs/dbraw/zinc/33/50/37/347335037.db2.gz ONCYJEOVNRXLTN-SFYZADRCSA-N 0 0 194.282 1.627 10 0 ADAERN CCCc1nnnn1C[C@H]1C[C@@H]1C 629156073 347335041 /nfs/dbraw/zinc/33/50/41/347335041.db2.gz VLNPHBBNXQEEAU-JGVFFNPUSA-N 0 0 180.255 1.282 10 0 ADAERN Cc1noc(OC[C@@H]2C[C@H]2C)n1 629153929 347335078 /nfs/dbraw/zinc/33/50/78/347335078.db2.gz LBEPXISOOYNVIW-VDTYLAMSSA-N 0 0 168.196 1.413 10 0 ADAERN O=C(N[C@H]1CO[C@@H](C2CC2)C1)C1CC1 629148492 347335090 /nfs/dbraw/zinc/33/50/90/347335090.db2.gz 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629154569 347335252 /nfs/dbraw/zinc/33/52/52/347335252.db2.gz QDJHUSWADGWZCH-APPZFPTMSA-N 0 0 178.235 1.208 10 0 ADAERN CC(C)C(=O)N[C@H]1CO[C@H](C2CC2)C1 629137471 347335259 /nfs/dbraw/zinc/33/52/59/347335259.db2.gz FFPUYMVQTDGUAP-ZJUUUORDSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@H]1C[C@H]1Cn1ccsc1=O 629157400 347335270 /nfs/dbraw/zinc/33/52/70/347335270.db2.gz OGWUYAKHSDVELZ-BQBZGAKWSA-N 0 0 169.249 1.566 10 0 ADAERN Cc1ccc(=O)n(C[C@H]2C[C@@H]2C)n1 629154573 347335274 /nfs/dbraw/zinc/33/52/74/347335274.db2.gz QDJHUSWADGWZCH-IONNQARKSA-N 0 0 178.235 1.208 10 0 ADAERN Cc1noc(OC[C@H]2C[C@H]2C)n1 629153928 347335280 /nfs/dbraw/zinc/33/52/80/347335280.db2.gz LBEPXISOOYNVIW-IYSWYEEDSA-N 0 0 168.196 1.413 10 0 ADAERN C[C@H]1C[C@@H]1Cn1nnnc1C(C)(C)C 629143698 347335285 /nfs/dbraw/zinc/33/52/85/347335285.db2.gz ONCYJEOVNRXLTN-JGVFFNPUSA-N 0 0 194.282 1.627 10 0 ADAERN CCCC(=O)N[C@@H]1CO[C@@H](C2CC2)C1 629149078 347335298 /nfs/dbraw/zinc/33/52/98/347335298.db2.gz OCRNQNUHVGSGNI-VHSXEESVSA-N 0 0 197.278 1.470 10 0 ADAERN CCCC(=O)N[C@@H]1CO[C@H](C2CC2)C1 629149077 347335304 /nfs/dbraw/zinc/33/53/04/347335304.db2.gz OCRNQNUHVGSGNI-UWVGGRQHSA-N 0 0 197.278 1.470 10 0 ADAERN CCCc1nnnn1C[C@@H]1C[C@@H]1C 629156075 347335309 /nfs/dbraw/zinc/33/53/09/347335309.db2.gz VLNPHBBNXQEEAU-YUMQZZPRSA-N 0 0 180.255 1.282 10 0 ADAERN Cc1noc(OC[C@@H]2C[C@@H]2C)n1 629153927 347335314 /nfs/dbraw/zinc/33/53/14/347335314.db2.gz LBEPXISOOYNVIW-FSPLSTOPSA-N 0 0 168.196 1.413 10 0 ADAERN CC(C)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 629137425 347335319 /nfs/dbraw/zinc/33/53/19/347335319.db2.gz FFPUYMVQTDGUAP-NXEZZACHSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@@H]1C[C@H]1Cn1ccsc1=O 629157405 347335342 /nfs/dbraw/zinc/33/53/42/347335342.db2.gz OGWUYAKHSDVELZ-RQJHMYQMSA-N 0 0 169.249 1.566 10 0 ADAERN CCCc1nnnn1C[C@H]1C[C@H]1C 629156072 347335346 /nfs/dbraw/zinc/33/53/46/347335346.db2.gz VLNPHBBNXQEEAU-HTQZYQBOSA-N 0 0 180.255 1.282 10 0 ADAERN CCCC(=O)N[C@H]1CO[C@H](C2CC2)C1 629149079 347335358 /nfs/dbraw/zinc/33/53/58/347335358.db2.gz OCRNQNUHVGSGNI-ZJUUUORDSA-N 0 0 197.278 1.470 10 0 ADAERN CCCc1nnnn1C[C@@H]1C[C@H]1C 629156074 347335364 /nfs/dbraw/zinc/33/53/64/347335364.db2.gz VLNPHBBNXQEEAU-SFYZADRCSA-N 0 0 180.255 1.282 10 0 ADAERN O=c1sccn1CCc1cnoc1 629156411 347335383 /nfs/dbraw/zinc/33/53/83/347335383.db2.gz DJKUDTADJHIBFO-UHFFFAOYSA-N 0 0 196.231 1.141 10 0 ADAERN Cc1ccc(=O)n(C[C@@H]2C[C@@H]2C)n1 629154571 347335393 /nfs/dbraw/zinc/33/53/93/347335393.db2.gz QDJHUSWADGWZCH-CBAPKCEASA-N 0 0 178.235 1.208 10 0 ADAERN Cc1csc(=O)n1C[C@H]1C[C@H]1C 629154021 347335398 /nfs/dbraw/zinc/33/53/98/347335398.db2.gz KMJSTPXXGCZCDB-HTRCEHHLSA-N 0 0 183.276 1.874 10 0 ADAERN Cc1csc(=O)n1C[C@H]1C[C@@H]1C 629154025 347335412 /nfs/dbraw/zinc/33/54/12/347335412.db2.gz KMJSTPXXGCZCDB-POYBYMJQSA-N 0 0 183.276 1.874 10 0 ADAERN Cc1ccc(=O)n(C[C@H]2C[C@H]2C)n1 629154574 347335426 /nfs/dbraw/zinc/33/54/26/347335426.db2.gz QDJHUSWADGWZCH-VXNVDRBHSA-N 0 0 178.235 1.208 10 0 ADAERN 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Cc1ncn(C[C@@H]2C[C@@H]2C)n1 629372551 347341544 /nfs/dbraw/zinc/34/15/44/347341544.db2.gz GXKZPDWQYXGROS-XPUUQOCRSA-N 0 0 151.213 1.243 10 0 ADAERN C[C@@H]1C[C@H]1Cn1cnc2nccnc21 629385704 347341910 /nfs/dbraw/zinc/34/19/10/347341910.db2.gz AUBCMEBSIZALDA-SFYZADRCSA-N 0 0 188.234 1.482 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1cnc2nccnc21 629385702 347342072 /nfs/dbraw/zinc/34/20/72/347342072.db2.gz AUBCMEBSIZALDA-HTQZYQBOSA-N 0 0 188.234 1.482 10 0 ADAERN C[C@H]1C[C@H]1Cn1cnc2nccnc21 629385705 347342149 /nfs/dbraw/zinc/34/21/49/347342149.db2.gz AUBCMEBSIZALDA-YUMQZZPRSA-N 0 0 188.234 1.482 10 0 ADAERN C[C@H]1C[C@@H]1Cn1cnc2nccnc21 629385703 347342338 /nfs/dbraw/zinc/34/23/38/347342338.db2.gz AUBCMEBSIZALDA-JGVFFNPUSA-N 0 0 188.234 1.482 10 0 ADAERN C/C=C\CNC(=O)c1ncc(C)o1 629462391 347344013 /nfs/dbraw/zinc/34/40/13/347344013.db2.gz JHAZAIQJEXRHNR-ARJAWSKDSA-N 0 0 180.207 1.289 10 0 ADAERN C/C=C/CN1C(=O)CN(C(C)C)C1=O 629490438 347344044 /nfs/dbraw/zinc/34/40/44/347344044.db2.gz SRFLQPRDPSYBQS-SNAWJCMRSA-N 0 0 196.250 1.235 10 0 ADAERN CC[C@H](C)[C@H]([NH2+]C[C@H]1C[C@@H]1C)C(=O)[O-] 629488724 347344076 /nfs/dbraw/zinc/34/40/76/347344076.db2.gz UYNFHHSTCYCEIF-QEYWKRMJSA-N 0 0 199.294 1.731 10 0 ADAERN C/C=C\CN1C(=O)CN(CCC)C1=O 629489164 347344080 /nfs/dbraw/zinc/34/40/80/347344080.db2.gz CWVABSLKOASCSM-HYXAFXHYSA-N 0 0 196.250 1.237 10 0 ADAERN CC[C@H](C)[C@H]([NH2+]C[C@@H]1C[C@H]1C)C(=O)[O-] 629488723 347344175 /nfs/dbraw/zinc/34/41/75/347344175.db2.gz UYNFHHSTCYCEIF-JXUBOQSCSA-N 0 0 199.294 1.731 10 0 ADAERN CC[C@H](C)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(=O)[O-] 629488725 347344181 /nfs/dbraw/zinc/34/41/81/347344181.db2.gz UYNFHHSTCYCEIF-XKNYDFJKSA-N 0 0 199.294 1.731 10 0 ADAERN C/C=C\CN1C(=O)NC2(CCC2)C1=O 629490221 347344228 /nfs/dbraw/zinc/34/42/28/347344228.db2.gz PWXWNCRZVVGIOC-IHWYPQMZSA-N 0 0 194.234 1.037 10 0 ADAERN CC[C@H](C)[C@H]([NH2+]C[C@H]1C[C@H]1C)C(=O)[O-] 629488722 347344233 /nfs/dbraw/zinc/34/42/33/347344233.db2.gz UYNFHHSTCYCEIF-JLIMGVALSA-N 0 0 199.294 1.731 10 0 ADAERN C/C=C/CNC(=O)c1ncc(C)o1 629462395 347344243 /nfs/dbraw/zinc/34/42/43/347344243.db2.gz JHAZAIQJEXRHNR-ONEGZZNKSA-N 0 0 180.207 1.289 10 0 ADAERN C/C=C/CN1C(=O)CN(CCC)C1=O 629489163 347344293 /nfs/dbraw/zinc/34/42/93/347344293.db2.gz CWVABSLKOASCSM-HWKANZROSA-N 0 0 196.250 1.237 10 0 ADAERN C/C=C\CN1C(=O)CN(C(C)C)C1=O 629490437 347344309 /nfs/dbraw/zinc/34/43/09/347344309.db2.gz SRFLQPRDPSYBQS-PLNGDYQASA-N 0 0 196.250 1.235 10 0 ADAERN C/C=C/CN1C(=O)NC2(CCC2)C1=O 629490222 347344349 /nfs/dbraw/zinc/34/43/49/347344349.db2.gz PWXWNCRZVVGIOC-NSCUHMNNSA-N 0 0 194.234 1.037 10 0 ADAERN CCCN1CC(=O)N([C@@H]2C[C@H]2C)C1=O 629503917 347344858 /nfs/dbraw/zinc/34/48/58/347344858.db2.gz UXVLIXLTEPUPLO-HTQZYQBOSA-N 0 0 196.250 1.069 10 0 ADAERN CC[C@]1(C)NC(=O)N([C@@H]2C[C@H]2C)C1=O 629506636 347345032 /nfs/dbraw/zinc/34/50/32/347345032.db2.gz QNGFONLLUJGZIS-XSSZXYGBSA-N 0 0 196.250 1.115 10 0 ADAERN CC[C@@]1(C)NC(=O)N([C@@H]2C[C@H]2C)C1=O 629506635 347345074 /nfs/dbraw/zinc/34/50/74/347345074.db2.gz QNGFONLLUJGZIS-BRDIYROLSA-N 0 0 196.250 1.115 10 0 ADAERN C[C@@H]1C[C@H]1N1C(=O)N(C)C(C)(C)C1=O 629506505 347345442 /nfs/dbraw/zinc/34/54/42/347345442.db2.gz OHJFNKQAFJEBAS-RNFRBKRXSA-N 0 0 196.250 1.067 10 0 ADAERN CC(C)N1CC(=O)N([C@@H]2C[C@H]2C)C1=O 629504689 347345526 /nfs/dbraw/zinc/34/55/26/347345526.db2.gz CQRAZYABDMJMFT-HTQZYQBOSA-N 0 0 196.250 1.067 10 0 ADAERN CCC(F)(F)CNCC1(O)CCC1 629595517 347351254 /nfs/dbraw/zinc/35/12/54/347351254.db2.gz RICKAWXVSGPKHY-UHFFFAOYSA-N 0 0 193.237 1.536 10 0 ADAERN CC[C@@H](O)CNCC(F)(F)CC 629595008 347351658 /nfs/dbraw/zinc/35/16/58/347351658.db2.gz IIBSMRZPZPZJBS-SSDOTTSWSA-N 0 0 181.226 1.392 10 0 ADAERN CC[C@H](O)CNCC(F)(F)CC 629595012 347351777 /nfs/dbraw/zinc/35/17/77/347351777.db2.gz IIBSMRZPZPZJBS-ZETCQYMHSA-N 0 0 181.226 1.392 10 0 ADAERN COCC(=O)N1C[C@@H]2CCCC[C@@]21C 629610944 347352560 /nfs/dbraw/zinc/35/25/60/347352560.db2.gz QWSGGGAQVNDEPP-ONGXEEELSA-N 0 0 197.278 1.424 10 0 ADAERN C[C@H](O)C(=O)N1CCCC2(CC1)CC2 629643892 347353022 /nfs/dbraw/zinc/35/30/22/347353022.db2.gz NUJGAXLBJFNQSQ-VIFPVBQESA-N 0 0 197.278 1.160 10 0 ADAERN CC(=O)N1CC(Cc2cccs2)C1 629622764 347353090 /nfs/dbraw/zinc/35/30/90/347353090.db2.gz FSXAFVVXJNSAFL-UHFFFAOYSA-N 0 0 195.287 1.769 10 0 ADAERN COCC(=O)N1CCCC2(CC1)CC2 629648463 347353130 /nfs/dbraw/zinc/35/31/30/347353130.db2.gz OHHUVSSAVNFSGI-UHFFFAOYSA-N 0 0 197.278 1.426 10 0 ADAERN C[C@@H](O)C(=O)N1C[C@@H]2CCCC[C@@]21C 629616175 347353215 /nfs/dbraw/zinc/35/32/15/347353215.db2.gz WMYPUJKNFWAHJZ-YWVKMMECSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@H](O)C(=O)N1C[C@@H]2CCCC[C@@]21C 629616174 347353251 /nfs/dbraw/zinc/35/32/51/347353251.db2.gz WMYPUJKNFWAHJZ-QXEWZRGKSA-N 0 0 197.278 1.158 10 0 ADAERN CC(C)C(=O)N1CC[C@@H](CO)C[C@H]1C 629681881 347355717 /nfs/dbraw/zinc/35/57/17/347355717.db2.gz YHNYENKANNPNGV-NXEZZACHSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H]1C[C@H](CO)CCN1C(=O)C1CC1 629682689 347355874 /nfs/dbraw/zinc/35/58/74/347355874.db2.gz NULVUHWACPFATD-RKDXNWHRSA-N 0 0 197.278 1.016 10 0 ADAERN Cc1nn(C)cc1-c1ccns1 629722452 347356925 /nfs/dbraw/zinc/35/69/25/347356925.db2.gz QNNLRTUAYSZMJW-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN CO[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 629691117 347356339 /nfs/dbraw/zinc/35/63/39/347356339.db2.gz PHVVSWZZAHZBKV-CIUDSAMLSA-N 0 0 195.262 1.080 10 0 ADAERN CO[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 629691118 347356526 /nfs/dbraw/zinc/35/65/26/347356526.db2.gz PHVVSWZZAHZBKV-IWSPIJDZSA-N 0 0 195.262 1.080 10 0 ADAERN CO[C@H]1C[C@H](NC(=O)C23CC(C2)C3)C1 629690062 347356538 /nfs/dbraw/zinc/35/65/38/347356538.db2.gz FZNUQZRXXNTLMV-RDDJWAPESA-N 0 0 195.262 1.080 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](OC)C1 629691672 347356546 /nfs/dbraw/zinc/35/65/46/347356546.db2.gz WAAOZGOZCLSQPL-ZYUZMQFOSA-N 0 0 197.278 1.326 10 0 ADAERN Cc1nn(C)cc1-c1cn(C)nc1C 629722093 347356978 /nfs/dbraw/zinc/35/69/78/347356978.db2.gz KNGSKQJLSRACSI-UHFFFAOYSA-N 0 0 190.250 1.437 10 0 ADAERN Cc1nc(-c2cn(C)nc2C)c[nH]1 629722509 347357172 /nfs/dbraw/zinc/35/71/72/347357172.db2.gz RMKQTYAVFLIWTM-UHFFFAOYSA-N 0 0 176.223 1.427 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 629818012 347357611 /nfs/dbraw/zinc/35/76/11/347357611.db2.gz GHBHSYQBULWIRM-DOLQZWNJSA-N 0 0 197.278 1.184 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)CC2CC2)C1 629824806 347357621 /nfs/dbraw/zinc/35/76/21/347357621.db2.gz UZZBZRLWHCUYIL-AOOOYVTPSA-N 0 0 197.278 1.328 10 0 ADAERN CC(C)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 629761605 347357624 /nfs/dbraw/zinc/35/76/24/347357624.db2.gz FBWFNFXQUXXMGJ-IVZWLZJFSA-N 0 0 197.278 1.014 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)C(C)(C)C)C1 629824517 347357626 /nfs/dbraw/zinc/35/76/26/347357626.db2.gz HWCVTEOQUMNJHY-DTORHVGOSA-N 0 0 199.294 1.574 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C)C1 629826854 347357656 /nfs/dbraw/zinc/35/76/56/347357656.db2.gz GHBHSYQBULWIRM-IMSYWVGJSA-N 0 0 197.278 1.184 10 0 ADAERN C[C@@H](O)C(=O)NC[C@@H]1CCCC12CC2 629829674 347357659 /nfs/dbraw/zinc/35/76/59/347357659.db2.gz HJCPWIKNCIRPOD-BDAKNGLRSA-N 0 0 197.278 1.064 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)C2CCC2)C1 629825876 347357662 /nfs/dbraw/zinc/35/76/62/347357662.db2.gz BEOSSODVMGTUCD-WAAGHKOSSA-N 0 0 197.278 1.328 10 0 ADAERN CCn1nc(C)cc1-c1c[nH]c(C)n1 629744344 347357698 /nfs/dbraw/zinc/35/76/98/347357698.db2.gz MYTQAYXREQQKFF-UHFFFAOYSA-N 0 0 190.250 1.910 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 629819182 347357709 /nfs/dbraw/zinc/35/77/09/347357709.db2.gz GHBHSYQBULWIRM-QEYWKRMJSA-N 0 0 197.278 1.184 10 0 ADAERN CC[C@@H](C)C(=O)NC[C@H]1C[C@@H](OC)C1 629824607 347357721 /nfs/dbraw/zinc/35/77/21/347357721.db2.gz UDICCPKVKGHQHU-BBBLOLIVSA-N 0 0 199.294 1.574 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)C(C)C)C1 629825120 347357725 /nfs/dbraw/zinc/35/77/25/347357725.db2.gz LPLKAJGPNVECLQ-DTORHVGOSA-N 0 0 185.267 1.184 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)C2(C)CC2)C1 629818653 347357738 /nfs/dbraw/zinc/35/77/38/347357738.db2.gz FBRKLRHGDVVSCS-DTORHVGOSA-N 0 0 197.278 1.328 10 0 ADAERN CCCCC(=O)NC[C@H]1C[C@@H](OC)C1 629825543 347357747 /nfs/dbraw/zinc/35/77/47/347357747.db2.gz WRPHSVFCBITUSV-AOOOYVTPSA-N 0 0 199.294 1.718 10 0 ADAERN CCCC(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 629756395 347357804 /nfs/dbraw/zinc/35/78/04/347357804.db2.gz GBGLRSMVYIHXEQ-IQJOONFLSA-N 0 0 197.278 1.158 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 629826852 347357823 /nfs/dbraw/zinc/35/78/23/347357823.db2.gz GHBHSYQBULWIRM-AXTSPUMRSA-N 0 0 197.278 1.184 10 0 ADAERN CCCC(=O)NC[C@H]1C[C@@H](OC)C1 629827658 347357881 /nfs/dbraw/zinc/35/78/81/347357881.db2.gz NAPMDYSCTREACU-DTORHVGOSA-N 0 0 185.267 1.328 10 0 ADAERN CO[C@H]1C[C@@H](CNC(=O)CC(C)C)C1 629828181 347357928 /nfs/dbraw/zinc/35/79/28/347357928.db2.gz UHEPHQSWIKEQJF-AOOOYVTPSA-N 0 0 199.294 1.574 10 0 ADAERN CC[C@H](C)C(=O)NC[C@H]1C[C@@H](OC)C1 629824608 347357933 /nfs/dbraw/zinc/35/79/33/347357933.db2.gz UDICCPKVKGHQHU-LPEHRKFASA-N 0 0 199.294 1.574 10 0 ADAERN CC=CCNC(=O)c1[nH]c(C)nc1C 630025513 347358308 /nfs/dbraw/zinc/35/83/08/347358308.db2.gz TVOKJNIUKQUYEX-SNAWJCMRSA-N 0 0 193.250 1.332 10 0 ADAERN C/C=C\CNC(=O)CCc1cn[nH]c1 630025617 347358316 /nfs/dbraw/zinc/35/83/16/347358316.db2.gz ZEAPWKVDWBZBPS-IHWYPQMZSA-N 0 0 193.250 1.035 10 0 ADAERN CC=CCNC(=O)c1[nH]c(C)nc1C 630025512 347358319 /nfs/dbraw/zinc/35/83/19/347358319.db2.gz TVOKJNIUKQUYEX-PLNGDYQASA-N 0 0 193.250 1.332 10 0 ADAERN C[C@H](O)C(=O)NC[C@H]1CCCC12CC2 629829675 347358344 /nfs/dbraw/zinc/35/83/44/347358344.db2.gz HJCPWIKNCIRPOD-DTWKUNHWSA-N 0 0 197.278 1.064 10 0 ADAERN C/C=C\CNC(=O)[C@H](CC)[C@@H](C)O 630025427 347358354 /nfs/dbraw/zinc/35/83/54/347358354.db2.gz NRMIYERQMZXXHR-FXFQRMSGSA-N 0 0 185.267 1.086 10 0 ADAERN C/C=C\C[C@@H]1CCCN(C(=O)CO)C1 629873856 347358401 /nfs/dbraw/zinc/35/84/01/347358401.db2.gz QZQOAQYKTDFSSN-MXQLGCADSA-N 0 0 197.278 1.184 10 0 ADAERN C/C=C/CNC(=O)CCc1cn[nH]c1 630025618 347358463 /nfs/dbraw/zinc/35/84/63/347358463.db2.gz ZEAPWKVDWBZBPS-NSCUHMNNSA-N 0 0 193.250 1.035 10 0 ADAERN C/C=C\CNC(=O)[C@H](CC)[C@H](C)O 630025429 347358524 /nfs/dbraw/zinc/35/85/24/347358524.db2.gz NRMIYERQMZXXHR-VGEAGSPOSA-N 0 0 185.267 1.086 10 0 ADAERN C/C=C\C[C@H]1CCCN(C(=O)CO)C1 629873859 347358529 /nfs/dbraw/zinc/35/85/29/347358529.db2.gz QZQOAQYKTDFSSN-ZMWSMAPVSA-N 0 0 197.278 1.184 10 0 ADAERN C/C=C/CNC(=O)[C@H](CC)[C@H](C)O 630025428 347358641 /nfs/dbraw/zinc/35/86/41/347358641.db2.gz NRMIYERQMZXXHR-HNEWHRDISA-N 0 0 185.267 1.086 10 0 ADAERN C[C@H](O)C(=O)NC[C@@H]1CCCC12CC2 629829677 347358685 /nfs/dbraw/zinc/35/86/85/347358685.db2.gz HJCPWIKNCIRPOD-IUCAKERBSA-N 0 0 197.278 1.064 10 0 ADAERN C/C=C/C[C@H]1CCCN(C(=O)CO)C1 629873857 347358706 /nfs/dbraw/zinc/35/87/06/347358706.db2.gz QZQOAQYKTDFSSN-PBKGFPTLSA-N 0 0 197.278 1.184 10 0 ADAERN COCC(=O)NC[C@H]1CCCC12CC2 629837908 347358716 /nfs/dbraw/zinc/35/87/16/347358716.db2.gz DYRPEJKAOGKTPG-SECBINFHSA-N 0 0 197.278 1.329 10 0 ADAERN C[C@@H](O)C(=O)NC[C@H]1CCCC12CC2 629829678 347358733 /nfs/dbraw/zinc/35/87/33/347358733.db2.gz HJCPWIKNCIRPOD-RKDXNWHRSA-N 0 0 197.278 1.064 10 0 ADAERN C/C=C/CNC(=O)[C@H](CC)[C@@H](C)O 630025426 347358779 /nfs/dbraw/zinc/35/87/79/347358779.db2.gz NRMIYERQMZXXHR-FVOAXITGSA-N 0 0 185.267 1.086 10 0 ADAERN COCC(=O)NC[C@@H]1CCCC12CC2 629837909 347358822 /nfs/dbraw/zinc/35/88/22/347358822.db2.gz DYRPEJKAOGKTPG-VIFPVBQESA-N 0 0 197.278 1.329 10 0 ADAERN C/C=C/C[C@@H]1CCCN(C(=O)CO)C1 629873858 347358862 /nfs/dbraw/zinc/35/88/62/347358862.db2.gz QZQOAQYKTDFSSN-VMZHVLLKSA-N 0 0 197.278 1.184 10 0 ADAERN Cc1nn(C)cc1-c1cnc(C)n1C 630050615 347359128 /nfs/dbraw/zinc/35/91/28/347359128.db2.gz CZMZURKZSDPTDE-UHFFFAOYSA-N 0 0 190.250 1.437 10 0 ADAERN CO[C@@]1(C)C[C@H]1NCc1cc(C)no1 630074889 347359963 /nfs/dbraw/zinc/35/99/63/347359963.db2.gz UDONEOUYYHPCSE-ZJUUUORDSA-N 0 0 196.250 1.250 10 0 ADAERN O=C(N[C@H]1CCCC12CC2)N1CCC1 630346701 347360805 /nfs/dbraw/zinc/36/08/05/347360805.db2.gz CWWWXXSJQOYGQH-VIFPVBQESA-N 0 0 194.278 1.734 10 0 ADAERN CNC(=O)N[C@@H]1CCCC12CC2 630345728 347360863 /nfs/dbraw/zinc/36/08/63/347360863.db2.gz BESCVPIVPINDNM-SSDOTTSWSA-N 0 0 168.240 1.248 10 0 ADAERN CCN(C)C(=O)NCC1CSC1 630345954 347360867 /nfs/dbraw/zinc/36/08/67/347360867.db2.gz FVXVFVJCRPAYLS-UHFFFAOYSA-N 0 0 188.296 1.011 10 0 ADAERN O=C(N[C@@H]1CCCC12CC2)N1CCC1 630346700 347360942 /nfs/dbraw/zinc/36/09/42/347360942.db2.gz CWWWXXSJQOYGQH-SECBINFHSA-N 0 0 194.278 1.734 10 0 ADAERN CC(C)NC(=O)NCC1CSC1 630344697 347360968 /nfs/dbraw/zinc/36/09/68/347360968.db2.gz HPISDKTUIJPGNT-UHFFFAOYSA-N 0 0 188.296 1.057 10 0 ADAERN CNC(=O)N[C@H]1CCCC12CC2 630345729 347361044 /nfs/dbraw/zinc/36/10/44/347361044.db2.gz BESCVPIVPINDNM-ZETCQYMHSA-N 0 0 168.240 1.248 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 630388667 347362273 /nfs/dbraw/zinc/36/22/73/347362273.db2.gz JPUUYJOYLFFWSP-QCLAVDOMSA-N 0 0 199.294 1.715 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 630387106 347361412 /nfs/dbraw/zinc/36/14/12/347361412.db2.gz FPJVJTLWIRGALN-HRDYMLBCSA-N 0 0 185.267 1.325 10 0 ADAERN CC(C)NC(=O)[C@H](C)c1ccncc1 630387822 347361458 /nfs/dbraw/zinc/36/14/58/347361458.db2.gz SLJCTTXKNHHURB-SECBINFHSA-N 0 0 192.262 1.710 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 630387105 347361485 /nfs/dbraw/zinc/36/14/85/347361485.db2.gz FPJVJTLWIRGALN-DJLDLDEBSA-N 0 0 185.267 1.325 10 0 ADAERN CC(C)NC(=O)[C@]12CCC[C@H]1OCC2 630387122 347361538 /nfs/dbraw/zinc/36/15/38/347361538.db2.gz FYSKHDZWGJIYDR-KOLCDFICSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@H](C)O[C@H]1C 630387108 347361603 /nfs/dbraw/zinc/36/16/03/347361603.db2.gz FPJVJTLWIRGALN-XHNCKOQMSA-N 0 0 185.267 1.325 10 0 ADAERN CC(C)NC(=O)[C@@H](C)c1ccncc1 630387823 347361608 /nfs/dbraw/zinc/36/16/08/347361608.db2.gz SLJCTTXKNHHURB-VIFPVBQESA-N 0 0 192.262 1.710 10 0 ADAERN CC(C)NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 630387107 347361771 /nfs/dbraw/zinc/36/17/71/347361771.db2.gz FPJVJTLWIRGALN-IWSPIJDZSA-N 0 0 185.267 1.325 10 0 ADAERN CC(C)NC(=O)CC1CSC1 630387995 347361875 /nfs/dbraw/zinc/36/18/75/347361875.db2.gz YSMVGXRAKQKVMG-UHFFFAOYSA-N 0 0 173.281 1.264 10 0 ADAERN CC(C)NC(=O)C1(C(F)F)CCC1 630387435 347361959 /nfs/dbraw/zinc/36/19/59/347361959.db2.gz MJBWJQNPWSJFEF-UHFFFAOYSA-N 0 0 191.221 1.946 10 0 ADAERN CNC(=O)NCC[C@@H]1CC=CCC1 630395300 347362222 /nfs/dbraw/zinc/36/22/22/347362222.db2.gz PPESXYNVSQLZGT-SECBINFHSA-N 0 0 182.267 1.662 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)N2CCCC2)[C@@H](C)O1 630393659 347362186 /nfs/dbraw/zinc/36/21/86/347362186.db2.gz NYMYXKFZHRASPA-OPRDCNLKSA-N 0 0 197.278 1.422 10 0 ADAERN CNC(=O)NCC[C@H]1CC=CCC1 630395301 347362188 /nfs/dbraw/zinc/36/21/88/347362188.db2.gz PPESXYNVSQLZGT-VIFPVBQESA-N 0 0 182.267 1.662 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1CCCC1 630393660 347362212 /nfs/dbraw/zinc/36/22/12/347362212.db2.gz NYMYXKFZHRASPA-UTLUCORTSA-N 0 0 197.278 1.422 10 0 ADAERN NC(=O)N1CC[C@H]2CC[C@@H](C1)S2 630394181 347362219 /nfs/dbraw/zinc/36/22/19/347362219.db2.gz ZLPJAXRBIUDLOM-RQJHMYQMSA-N 0 0 186.280 1.035 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 630388668 347362259 /nfs/dbraw/zinc/36/22/59/347362259.db2.gz JPUUYJOYLFFWSP-SGIHWFKDSA-N 0 0 199.294 1.715 10 0 ADAERN C[C@@H]1C[C@H](C(=O)N2CCCC2)[C@@H](C)O1 630393657 347362270 /nfs/dbraw/zinc/36/22/70/347362270.db2.gz NYMYXKFZHRASPA-BBBLOLIVSA-N 0 0 197.278 1.422 10 0 ADAERN CC[C@H](C)NC(=O)CC1CSC1 630389259 347362276 /nfs/dbraw/zinc/36/22/76/347362276.db2.gz PREODXYXDLWEHE-ZETCQYMHSA-N 0 0 187.308 1.654 10 0 ADAERN CCC(F)(F)C(C)(C)CNC(N)=O 630395346 347362282 /nfs/dbraw/zinc/36/22/82/347362282.db2.gz RGQUMLHMRMKFGE-UHFFFAOYSA-N 0 0 194.225 1.726 10 0 ADAERN NC(=O)NCC[C@H]1CC=CCC1 630394545 347362285 /nfs/dbraw/zinc/36/22/85/347362285.db2.gz JDAUVJITKJPKDS-QMMMGPOBSA-N 0 0 168.240 1.401 10 0 ADAERN CC[C@@H](C)NC(=O)CC1CSC1 630389258 347362288 /nfs/dbraw/zinc/36/22/88/347362288.db2.gz PREODXYXDLWEHE-SSDOTTSWSA-N 0 0 187.308 1.654 10 0 ADAERN NC(=O)NCC[C@@H]1CC=CCC1 630394544 347362322 /nfs/dbraw/zinc/36/23/22/347362322.db2.gz JDAUVJITKJPKDS-MRVPVSSYSA-N 0 0 168.240 1.401 10 0 ADAERN CC1(C)CCC[C@@H]1CCNC(N)=O 630392185 347362328 /nfs/dbraw/zinc/36/23/28/347362328.db2.gz KIHOIOJVKPHUJX-MRVPVSSYSA-N 0 0 184.283 1.871 10 0 ADAERN O=C(CC1CSC1)N1CCCC1 630393852 347362330 /nfs/dbraw/zinc/36/23/30/347362330.db2.gz PAQORBVHKHZIFL-UHFFFAOYSA-N 0 0 185.292 1.362 10 0 ADAERN NC(=O)NCC(C1CCC1)C1CCC1 630391648 347362349 /nfs/dbraw/zinc/36/23/49/347362349.db2.gz CPLMQCYBWJQFEU-UHFFFAOYSA-N 0 0 196.294 1.871 10 0 ADAERN O=C(CC1CSC1)N1CCCCC1 630389721 347362361 /nfs/dbraw/zinc/36/23/61/347362361.db2.gz ZZJZPADDKNBSGP-UHFFFAOYSA-N 0 0 199.319 1.752 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)O[C@H]1C 630388665 347362364 /nfs/dbraw/zinc/36/23/64/347362364.db2.gz JPUUYJOYLFFWSP-AATLWQCWSA-N 0 0 199.294 1.715 10 0 ADAERN CC1(C)CCC[C@H]1CCNC(N)=O 630392186 347362378 /nfs/dbraw/zinc/36/23/78/347362378.db2.gz KIHOIOJVKPHUJX-QMMMGPOBSA-N 0 0 184.283 1.871 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1C(=O)N1CCCC1 630393658 347362390 /nfs/dbraw/zinc/36/23/90/347362390.db2.gz NYMYXKFZHRASPA-KXUCPTDWSA-N 0 0 197.278 1.422 10 0 ADAERN CCC(NC(N)=O)(C1CC1)C1CC1 630395618 347362406 /nfs/dbraw/zinc/36/24/06/347362406.db2.gz SIGSMTXQYYGIGC-UHFFFAOYSA-N 0 0 182.267 1.624 10 0 ADAERN CNC(=O)N1CC(Cc2ccco2)C1 630393764 347362410 /nfs/dbraw/zinc/36/24/10/347362410.db2.gz HNJIXXGBWBBWNF-UHFFFAOYSA-N 0 0 194.234 1.093 10 0 ADAERN CCC(NC(=O)NC)(C1CC1)C1CC1 630394332 347362419 /nfs/dbraw/zinc/36/24/19/347362419.db2.gz HIGBDMMOZOKKKW-UHFFFAOYSA-N 0 0 196.294 1.884 10 0 ADAERN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)O[C@@H]1C 630388666 347362423 /nfs/dbraw/zinc/36/24/23/347362423.db2.gz JPUUYJOYLFFWSP-AXTSPUMRSA-N 0 0 199.294 1.715 10 0 ADAERN NC(=O)N1CC(Cc2cccs2)C1 630398464 347362887 /nfs/dbraw/zinc/36/28/87/347362887.db2.gz VJWCRSZQUAIEPJ-UHFFFAOYSA-N 0 0 196.275 1.301 10 0 ADAERN CNC(=O)NC[C@@H]1CCCC12CC2 630398832 347362915 /nfs/dbraw/zinc/36/29/15/347362915.db2.gz IKBSSMKLTVMCCR-QMMMGPOBSA-N 0 0 182.267 1.496 10 0 ADAERN C/C=C\C[C@H]1CCCN(C(N)=O)C1 630399137 347362921 /nfs/dbraw/zinc/36/29/21/347362921.db2.gz QYLURIUNZBGCGQ-XADBCAIWSA-N 0 0 182.267 1.743 10 0 ADAERN CC(C)(F)CNC(=O)NC(C)(C)C 630399612 347362922 /nfs/dbraw/zinc/36/29/22/347362922.db2.gz BTIXNEBKLUYZON-UHFFFAOYSA-N 0 0 190.262 1.832 10 0 ADAERN CNC(=O)N1CCCC2(CC1)CC2 630398471 347362930 /nfs/dbraw/zinc/36/29/30/347362930.db2.gz VQWXEKGRTFDACG-UHFFFAOYSA-N 0 0 182.267 1.592 10 0 ADAERN CNC(=O)N[C@@H]1C[C@H]1c1ccsc1 630396953 347362940 /nfs/dbraw/zinc/36/29/40/347362940.db2.gz SKHPIZVTRVFJOC-JGVFFNPUSA-N 0 0 196.275 1.533 10 0 ADAERN CCCCNC(=O)NCC(C)(C)F 630399648 347362952 /nfs/dbraw/zinc/36/29/52/347362952.db2.gz DFNHKURSQQWFIU-UHFFFAOYSA-N 0 0 190.262 1.834 10 0 ADAERN CNC(=O)NC[C@H]1CCCC12CC2 630398831 347362962 /nfs/dbraw/zinc/36/29/62/347362962.db2.gz IKBSSMKLTVMCCR-MRVPVSSYSA-N 0 0 182.267 1.496 10 0 ADAERN C/C=C/C[C@@H]1CCCN(C(N)=O)C1 630399134 347362971 /nfs/dbraw/zinc/36/29/71/347362971.db2.gz QYLURIUNZBGCGQ-GKQMSVHHSA-N 0 0 182.267 1.743 10 0 ADAERN C/C=C/C[C@H]1CCCN(C(N)=O)C1 630399135 347363000 /nfs/dbraw/zinc/36/30/00/347363000.db2.gz QYLURIUNZBGCGQ-HPOULIHZSA-N 0 0 182.267 1.743 10 0 ADAERN CNC(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1 630396894 347363039 /nfs/dbraw/zinc/36/30/39/347363039.db2.gz OQBOMHYOXUFSML-DIYOJNKTSA-N 0 0 182.267 1.352 10 0 ADAERN NC(=O)N[C@@H]1C[C@H]1c1ccsc1 630396169 347363041 /nfs/dbraw/zinc/36/30/41/347363041.db2.gz KYPUZMYKDFIVSV-NKWVEPMBSA-N 0 0 182.248 1.272 10 0 ADAERN CCN(CC)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C 630399466 347363044 /nfs/dbraw/zinc/36/30/44/347363044.db2.gz LGUUNQZMWOVAHN-KXUCPTDWSA-N 0 0 199.294 1.668 10 0 ADAERN CCN(CC)C(=O)CC1CSC1 630399698 347363047 /nfs/dbraw/zinc/36/30/47/347363047.db2.gz XAUGQPNNQXPJEH-UHFFFAOYSA-N 0 0 187.308 1.608 10 0 ADAERN CCN(CC)C(=O)[C@@H]1C[C@H](C)O[C@H]1C 630399467 347363050 /nfs/dbraw/zinc/36/30/50/347363050.db2.gz LGUUNQZMWOVAHN-LPEHRKFASA-N 0 0 199.294 1.668 10 0 ADAERN CCNC(=O)Nc1cc(C)nn1CC 630396830 347363053 /nfs/dbraw/zinc/36/30/53/347363053.db2.gz IAWSXIATERGGGT-UHFFFAOYSA-N 0 0 196.254 1.353 10 0 ADAERN CCN(CC)C(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 630399468 347363060 /nfs/dbraw/zinc/36/30/60/347363060.db2.gz LGUUNQZMWOVAHN-OPRDCNLKSA-N 0 0 199.294 1.668 10 0 ADAERN C[C@]12CCCC[C@H]1CN2C(N)=O 630398157 347363065 /nfs/dbraw/zinc/36/30/65/347363065.db2.gz JOGYKOJFYSZKJN-CBAPKCEASA-N 0 0 168.240 1.330 10 0 ADAERN C[C@@]1(CNC(N)=O)C[C@@H]2C[C@@H]2C1 630397459 347363096 /nfs/dbraw/zinc/36/30/96/347363096.db2.gz VKQKDWIRVPKRAO-QMSLJYSESA-N 0 0 168.240 1.091 10 0 ADAERN CCN(CC)C(=O)[C@@H]1C[C@H](C)O[C@@H]1C 630399465 347363099 /nfs/dbraw/zinc/36/30/99/347363099.db2.gz LGUUNQZMWOVAHN-IVZWLZJFSA-N 0 0 199.294 1.668 10 0 ADAERN C/C=C\C[C@@H]1CCCN(C(N)=O)C1 630399136 347363140 /nfs/dbraw/zinc/36/31/40/347363140.db2.gz QYLURIUNZBGCGQ-PKRMOACSSA-N 0 0 182.267 1.743 10 0 ADAERN C[C@H](CC1CCC1)NC(N)=O 630404948 347363456 /nfs/dbraw/zinc/36/34/56/347363456.db2.gz SWPAJWDUSNIFID-ZCFIWIBFSA-N 0 0 156.229 1.233 10 0 ADAERN CC(C)NC(=O)NCC(C)(C)F 630400038 347363640 /nfs/dbraw/zinc/36/36/40/347363640.db2.gz JZGIOASOWHJFMS-UHFFFAOYSA-N 0 0 176.235 1.442 10 0 ADAERN CCCCNC(=O)[C@@H]1C[C@@H](C)O[C@@H]1C 630402084 347363783 /nfs/dbraw/zinc/36/37/83/347363783.db2.gz RBYPNLRDPJZKRH-OPRDCNLKSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@@H](C)NC(=O)NCC(C)(C)F 630399747 347363492 /nfs/dbraw/zinc/36/34/92/347363492.db2.gz DLVQBUWSFOFUBR-SSDOTTSWSA-N 0 0 190.262 1.832 10 0 ADAERN CCCCNC(=O)[C@@H]1C[C@@H](C)O[C@H]1C 630402080 347363503 /nfs/dbraw/zinc/36/35/03/347363503.db2.gz RBYPNLRDPJZKRH-KXUCPTDWSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)(F)CNC(=O)NCC1CC1 630400395 347363507 /nfs/dbraw/zinc/36/35/07/347363507.db2.gz MVANVLVMCVDGRT-UHFFFAOYSA-N 0 0 188.246 1.444 10 0 ADAERN NC(=O)N1CCC(CCF)CC1 630401669 347363513 /nfs/dbraw/zinc/36/35/13/347363513.db2.gz DWNKAIABCVTAPT-UHFFFAOYSA-N 0 0 174.219 1.137 10 0 ADAERN CNC(=O)N[C@@H](C)CC1CCC1 630405134 347363516 /nfs/dbraw/zinc/36/35/16/347363516.db2.gz WMBCZXWCBBKBPL-ZETCQYMHSA-N 0 0 170.256 1.494 10 0 ADAERN C[C@@H](CC1CCC1)NC(N)=O 630404946 347363564 /nfs/dbraw/zinc/36/35/64/347363564.db2.gz SWPAJWDUSNIFID-LURJTMIESA-N 0 0 156.229 1.233 10 0 ADAERN CCNC(=O)NCC(C)(C)F 630400994 347363568 /nfs/dbraw/zinc/36/35/68/347363568.db2.gz TZRJIVSQFAILBA-UHFFFAOYSA-N 0 0 162.208 1.054 10 0 ADAERN CCC(C)(C)CCNC(=O)NC 630401640 347363590 /nfs/dbraw/zinc/36/35/90/347363590.db2.gz CHYFOOCIIGKLNE-UHFFFAOYSA-N 0 0 172.272 1.742 10 0 ADAERN CCNC(=O)N[C@H](C)CC1CCC1 630404391 347363603 /nfs/dbraw/zinc/36/36/03/347363603.db2.gz LIXAEZHPRPFGDF-MRVPVSSYSA-N 0 0 184.283 1.884 10 0 ADAERN CCNC(=O)N[C@@H](C)CC1CCC1 630404392 347363606 /nfs/dbraw/zinc/36/36/06/347363606.db2.gz LIXAEZHPRPFGDF-QMMMGPOBSA-N 0 0 184.283 1.884 10 0 ADAERN CCCNC(=O)NCC(C)(C)F 630401071 347363613 /nfs/dbraw/zinc/36/36/13/347363613.db2.gz VMGRFWVWPNTOOP-UHFFFAOYSA-N 0 0 176.235 1.444 10 0 ADAERN 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/nfs/dbraw/zinc/39/70/53/347397053.db2.gz CPGSLFILOURCAE-UHFFFAOYSA-N 0 0 190.262 1.786 10 0 ADAERN CCN(C)C(=O)NCC(C)(C)F 632608407 347397077 /nfs/dbraw/zinc/39/70/77/347397077.db2.gz QNTFQHPTDRYPCC-UHFFFAOYSA-N 0 0 176.235 1.396 10 0 ADAERN CCC(=O)NCC(C)(C)F 632608306 347397083 /nfs/dbraw/zinc/39/70/83/347397083.db2.gz NEYWHNBDFANIJD-UHFFFAOYSA-N 0 0 147.193 1.261 10 0 ADAERN CCCS(=O)(=O)NCC(C)(C)F 632609140 347397097 /nfs/dbraw/zinc/39/70/97/347397097.db2.gz WATZHFJCHXPWAK-UHFFFAOYSA-N 0 0 197.275 1.064 10 0 ADAERN CCN(C)C(=O)N[C@@H]1CCCC12CC2 632613483 347397110 /nfs/dbraw/zinc/39/71/10/347397110.db2.gz OZTWJUCTDNQING-SECBINFHSA-N 0 0 196.294 1.980 10 0 ADAERN CCC(=O)N[C@H]1CCCC12CC2 632613966 347397116 /nfs/dbraw/zinc/39/71/16/347397116.db2.gz YJDGMVMTQAKUSA-QMMMGPOBSA-N 0 0 167.252 1.845 10 0 ADAERN CCN(C)C(=O)N[C@H]1CCCC12CC2 632613484 347397155 /nfs/dbraw/zinc/39/71/55/347397155.db2.gz OZTWJUCTDNQING-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN CCN(CC)C(=O)NCC(C)(C)F 632608690 347397198 /nfs/dbraw/zinc/39/71/98/347397198.db2.gz AXXKXJGNBDQGRH-UHFFFAOYSA-N 0 0 190.262 1.786 10 0 ADAERN CCC(=O)N[C@@H]1CCCC12CC2 632613965 347397227 /nfs/dbraw/zinc/39/72/27/347397227.db2.gz YJDGMVMTQAKUSA-MRVPVSSYSA-N 0 0 167.252 1.845 10 0 ADAERN CC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 632704571 347397676 /nfs/dbraw/zinc/39/76/76/347397676.db2.gz KVZPQRCWRCFTMY-MNOVXSKESA-N 0 0 197.278 1.470 10 0 ADAERN CC(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 632704572 347397682 /nfs/dbraw/zinc/39/76/82/347397682.db2.gz KVZPQRCWRCFTMY-QWRGUYRKSA-N 0 0 197.278 1.470 10 0 ADAERN CCC(=O)N1CCC(CCF)CC1 632641347 347397748 /nfs/dbraw/zinc/39/77/48/347397748.db2.gz CPLYFXWIGQZEAF-UHFFFAOYSA-N 0 0 187.258 1.995 10 0 ADAERN O=C(NCCF)C1(C(F)F)CCC1 632845229 347399097 /nfs/dbraw/zinc/39/90/97/347399097.db2.gz ZFULUADOELDFFZ-UHFFFAOYSA-N 0 0 195.184 1.508 10 0 ADAERN CCC(C)(C)CCNS(C)(=O)=O 632642296 347397816 /nfs/dbraw/zinc/39/78/16/347397816.db2.gz RXCLYPFXNWFBMG-UHFFFAOYSA-N 0 0 193.312 1.362 10 0 ADAERN CCN(C)C(=O)N[C@@]12CCCC[C@@H]1C2 632654306 347397836 /nfs/dbraw/zinc/39/78/36/347397836.db2.gz SJYCUYYFUNYKJI-MWLCHTKSSA-N 0 0 196.294 1.980 10 0 ADAERN CC(=O)N[C@H](C1CCC1)[C@H]1CCCO1 632704568 347397844 /nfs/dbraw/zinc/39/78/44/347397844.db2.gz KVZPQRCWRCFTMY-GHMZBOCLSA-N 0 0 197.278 1.470 10 0 ADAERN CC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 632704573 347397858 /nfs/dbraw/zinc/39/78/58/347397858.db2.gz KVZPQRCWRCFTMY-WDEREUQCSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@@H](CC1CCC1)NS(C)(=O)=O 632694395 347397882 /nfs/dbraw/zinc/39/78/82/347397882.db2.gz YSQZDVZQRXTKJX-ZETCQYMHSA-N 0 0 191.296 1.114 10 0 ADAERN CCN(C)C(=O)N[C@]12CCCC[C@H]1C2 632654307 347397884 /nfs/dbraw/zinc/39/78/84/347397884.db2.gz SJYCUYYFUNYKJI-ONGXEEELSA-N 0 0 196.294 1.980 10 0 ADAERN C[C@H](CC1CCC1)NS(C)(=O)=O 632694394 347397912 /nfs/dbraw/zinc/39/79/12/347397912.db2.gz YSQZDVZQRXTKJX-SSDOTTSWSA-N 0 0 191.296 1.114 10 0 ADAERN CCOC(C)(C)C(=O)N[C@H]1CC[C@H]1C 633056290 347400069 /nfs/dbraw/zinc/40/00/69/347400069.db2.gz 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632787973 347398630 /nfs/dbraw/zinc/39/86/30/347398630.db2.gz CDWFBJUGGVFICM-MRVPVSSYSA-N 0 0 193.250 1.244 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)CC1CSC1 632803923 347398639 /nfs/dbraw/zinc/39/86/39/347398639.db2.gz LBWXPTHJXOJSTF-YUMQZZPRSA-N 0 0 199.319 1.749 10 0 ADAERN C[C@@H]1CN(C(=O)CCCCO)[C@@H]1C 633211050 347400905 /nfs/dbraw/zinc/40/09/05/347400905.db2.gz ZSLHIBGNJFZBMM-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN O=C(N[C@@H]1C[C@H]1C1CC1)C1CSC1 632834233 347399094 /nfs/dbraw/zinc/39/90/94/347399094.db2.gz AORIXJYGHPHQOR-DTWKUNHWSA-N 0 0 197.303 1.264 10 0 ADAERN CC1=CCCN(C(=O)C2CSC2)C1 632841542 347399142 /nfs/dbraw/zinc/39/91/42/347399142.db2.gz DSPCMWUHMLBGNV-UHFFFAOYSA-N 0 0 197.303 1.528 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)CC1CSC1 632856562 347399147 /nfs/dbraw/zinc/39/91/47/347399147.db2.gz HVMJKJSMJALADT-RKDXNWHRSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H](C(=O)NCCF)c1ccncc1 632844278 347399158 /nfs/dbraw/zinc/39/91/58/347399158.db2.gz LJQPIOAUJBSAOT-MRVPVSSYSA-N 0 0 196.225 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/nfs/dbraw/zinc/41/35/91/347413591.db2.gz HUGOVKVQPVMNAD-BDAKNGLRSA-N 0 0 181.239 1.012 10 0 ADAERN Cc1cn(C[C@H]2CCO[C@H]2C)nn1 634549888 347413712 /nfs/dbraw/zinc/41/37/12/347413712.db2.gz HUGOVKVQPVMNAD-DTWKUNHWSA-N 0 0 181.239 1.012 10 0 ADAERN C[C@@H]1CCC2=NN(C)C(=O)[C@H]2C1 634582868 347414899 /nfs/dbraw/zinc/41/48/99/347414899.db2.gz DLMCMEIYFRDXGN-RQJHMYQMSA-N 0 0 166.224 1.251 10 0 ADAERN C[C@H]1OCC[C@H]1COc1ccnnc1 634550214 347414210 /nfs/dbraw/zinc/41/42/10/347414210.db2.gz SJMRPVXWLBKUSN-BDAKNGLRSA-N 0 0 194.234 1.280 10 0 ADAERN Cc1cn(C[C@H]2CCO[C@@H]2C)nn1 634549890 347414231 /nfs/dbraw/zinc/41/42/31/347414231.db2.gz HUGOVKVQPVMNAD-RKDXNWHRSA-N 0 0 181.239 1.012 10 0 ADAERN NCc1noc([C@H]2CCCC23CC3)n1 634558425 347414251 /nfs/dbraw/zinc/41/42/51/347414251.db2.gz YAIXRNXQXBMCOX-SSDOTTSWSA-N 0 0 193.250 1.576 10 0 ADAERN C[C@@H]1OCC[C@@H]1COc1ccnnc1 634550215 347414257 /nfs/dbraw/zinc/41/42/57/347414257.db2.gz SJMRPVXWLBKUSN-DTWKUNHWSA-N 0 0 194.234 1.280 10 0 ADAERN CNc1c(F)ccc2c1OCO2 634571454 347414312 /nfs/dbraw/zinc/41/43/12/347414312.db2.gz MWNBLYGOFQBJTQ-UHFFFAOYSA-N 0 0 169.155 1.596 10 0 ADAERN C[C@H]1OCC[C@@H]1COc1ccnnc1 634550217 347414336 /nfs/dbraw/zinc/41/43/36/347414336.db2.gz SJMRPVXWLBKUSN-RKDXNWHRSA-N 0 0 194.234 1.280 10 0 ADAERN CCNc1c(F)ccc2c1OCO2 634571503 347414391 /nfs/dbraw/zinc/41/43/91/347414391.db2.gz OUEOSPMOIQISKS-UHFFFAOYSA-N 0 0 183.182 1.986 10 0 ADAERN C[C@@H]1OCC[C@H]1COc1ccnnc1 634550216 347414396 /nfs/dbraw/zinc/41/43/96/347414396.db2.gz SJMRPVXWLBKUSN-IUCAKERBSA-N 0 0 194.234 1.280 10 0 ADAERN NCc1noc([C@@H]2CCCC23CC3)n1 634558426 347414413 /nfs/dbraw/zinc/41/44/13/347414413.db2.gz YAIXRNXQXBMCOX-ZETCQYMHSA-N 0 0 193.250 1.576 10 0 ADAERN CCNc1cccc2c1NC(=O)CO2 634573075 347414416 /nfs/dbraw/zinc/41/44/16/347414416.db2.gz APXSIMGKGIFPLF-UHFFFAOYSA-N 0 0 192.218 1.449 10 0 ADAERN CCCCc1[nH][nH]c(=O)c1C 634582800 347414678 /nfs/dbraw/zinc/41/46/78/347414678.db2.gz BNQLCNWNHAIWIZ-LURJTMIESA-N 0 0 154.213 1.299 10 0 ADAERN CN1N=C2CCC[C@@H]2CC1=O 634583614 347414721 /nfs/dbraw/zinc/41/47/21/347414721.db2.gz CBHHVQKXHDBTOK-ZCFIWIBFSA-N 0 0 152.197 1.005 10 0 ADAERN C[C@H]1CCC2=NN(C)C(=O)[C@@H]2C1 634582866 347414769 /nfs/dbraw/zinc/41/47/69/347414769.db2.gz DLMCMEIYFRDXGN-NKWVEPMBSA-N 0 0 166.224 1.251 10 0 ADAERN CCCCc1[nH][nH]c(=O)c1C 634582801 347414874 /nfs/dbraw/zinc/41/48/74/347414874.db2.gz BNQLCNWNHAIWIZ-ZCFIWIBFSA-N 0 0 154.213 1.299 10 0 ADAERN C[C@H]1CCC2=NN(C)C(=O)[C@H]2C1 634582865 347414910 /nfs/dbraw/zinc/41/49/10/347414910.db2.gz DLMCMEIYFRDXGN-BQBZGAKWSA-N 0 0 166.224 1.251 10 0 ADAERN C[C@@H]1CCC2=NN(C)C(=O)[C@@H]2C1 634582867 347414970 /nfs/dbraw/zinc/41/49/70/347414970.db2.gz DLMCMEIYFRDXGN-RNFRBKRXSA-N 0 0 166.224 1.251 10 0 ADAERN CN1N=C2CCC[C@H]2CC1=O 634583613 347415038 /nfs/dbraw/zinc/41/50/38/347415038.db2.gz CBHHVQKXHDBTOK-LURJTMIESA-N 0 0 152.197 1.005 10 0 ADAERN CCN1N=C2CCC[C@H]2CC1=O 634584507 347415538 /nfs/dbraw/zinc/41/55/38/347415538.db2.gz DRJQSLZQXHSHOG-ZETCQYMHSA-N 0 0 166.224 1.395 10 0 ADAERN CCN1N=C2CCC[C@@H]2CC1=O 634584506 347415545 /nfs/dbraw/zinc/41/55/45/347415545.db2.gz DRJQSLZQXHSHOG-SSDOTTSWSA-N 0 0 166.224 1.395 10 0 ADAERN CCN1N=C2CC[C@@H](C)[C@H]2C1=O 634584482 347415573 /nfs/dbraw/zinc/41/55/73/347415573.db2.gz CYBBRKVCHAXQBA-HTRCEHHLSA-N 0 0 166.224 1.251 10 0 ADAERN CCN1N=C2CC[C@H](C)[C@H]2C1=O 634584483 347415610 /nfs/dbraw/zinc/41/56/10/347415610.db2.gz CYBBRKVCHAXQBA-POYBYMJQSA-N 0 0 166.224 1.251 10 0 ADAERN CCN1N=C2CC[C@H](C)[C@@H]2C1=O 634584485 347415625 /nfs/dbraw/zinc/41/56/25/347415625.db2.gz CYBBRKVCHAXQBA-XPUUQOCRSA-N 0 0 166.224 1.251 10 0 ADAERN CC1=NN(CC(C)C)C(=O)[C@@H]2C[C@H]12 634583735 347415666 /nfs/dbraw/zinc/41/56/66/347415666.db2.gz GTIHOLPWTJBANY-RKDXNWHRSA-N 0 0 180.251 1.497 10 0 ADAERN CC(C)CN1N=CC[C@H](C)C1=O 634584327 347415741 /nfs/dbraw/zinc/41/57/41/347415741.db2.gz ZKMDTIWRLZTZEV-QMMMGPOBSA-N 0 0 168.240 1.497 10 0 ADAERN CCN1N=C2CC[C@@H](C)C[C@H]2C1=O 634584600 347415704 /nfs/dbraw/zinc/41/57/04/347415704.db2.gz HTSKGWKPNMBQGT-HTQZYQBOSA-N 0 0 180.251 1.641 10 0 ADAERN CC1=NN(CC(C)C)C(=O)[C@H]2C[C@@H]12 634583734 347415775 /nfs/dbraw/zinc/41/57/75/347415775.db2.gz GTIHOLPWTJBANY-IUCAKERBSA-N 0 0 180.251 1.497 10 0 ADAERN CCN1N=C2CC[C@H](C)C[C@H]2C1=O 634584601 347415778 /nfs/dbraw/zinc/41/57/78/347415778.db2.gz HTSKGWKPNMBQGT-JGVFFNPUSA-N 0 0 180.251 1.641 10 0 ADAERN CC(C)CN1N=CC[C@@H](C)C1=O 634584326 347415828 /nfs/dbraw/zinc/41/58/28/347415828.db2.gz ZKMDTIWRLZTZEV-MRVPVSSYSA-N 0 0 168.240 1.497 10 0 ADAERN CCN1N=C2CC[C@@H](C)[C@@H]2C1=O 634584484 347415859 /nfs/dbraw/zinc/41/58/59/347415859.db2.gz CYBBRKVCHAXQBA-SVRRBLITSA-N 0 0 166.224 1.251 10 0 ADAERN CCN1N=C2CC[C@H](C)C[C@@H]2C1=O 634584603 347415881 /nfs/dbraw/zinc/41/58/81/347415881.db2.gz HTSKGWKPNMBQGT-YUMQZZPRSA-N 0 0 180.251 1.641 10 0 ADAERN CCN1N=C2CC[C@@H](C)C[C@@H]2C1=O 634584602 347415906 /nfs/dbraw/zinc/41/59/06/347415906.db2.gz HTSKGWKPNMBQGT-SFYZADRCSA-N 0 0 180.251 1.641 10 0 ADAERN CCn1ncc2c(C)[nH]c(C)c2c1=O 634584534 347415923 /nfs/dbraw/zinc/41/59/23/347415923.db2.gz FEWZEHLOQDNOET-UHFFFAOYSA-N 0 0 191.234 1.361 10 0 ADAERN Cc1nn(CC(C)C)c2c1C(=O)NC2 634584094 347415955 /nfs/dbraw/zinc/41/59/55/347415955.db2.gz RSSXAUXXJGMEHF-UHFFFAOYSA-N 0 0 193.250 1.091 10 0 ADAERN CCCCn1nc(C)c2c1CNC2=O 634585328 347416359 /nfs/dbraw/zinc/41/63/59/347416359.db2.gz CZIKHGYKHKQKQD-UHFFFAOYSA-N 0 0 193.250 1.235 10 0 ADAERN CCn1nc(C)c2ncccc2c1=O 634584949 347416816 /nfs/dbraw/zinc/41/68/16/347416816.db2.gz RSTKDVFODAUTKN-UHFFFAOYSA-N 0 0 189.218 1.120 10 0 ADAERN CCCN1NC=C2[C@@H](C1=O)C2(F)F 634592180 347417007 /nfs/dbraw/zinc/41/70/07/347417007.db2.gz AQKLKFUSIQYYQW-WDSKDSINSA-N 0 0 188.177 1.106 10 0 ADAERN CC1=NN(CC(C)(C)C)C(=O)[C@@H]2C[C@H]12 634588627 347417032 /nfs/dbraw/zinc/41/70/32/347417032.db2.gz ZKZAGGDGZGSRBR-RKDXNWHRSA-N 0 0 194.278 1.887 10 0 ADAERN CCCCN1N=C(C)[C@H]2C[C@H]2C1=O 634585666 347417060 /nfs/dbraw/zinc/41/70/60/347417060.db2.gz NSVACOZNDMFHIV-RKDXNWHRSA-N 0 0 180.251 1.641 10 0 ADAERN CCCn1ncc2ncsc2c1=O 634592274 347417089 /nfs/dbraw/zinc/41/70/89/347417089.db2.gz DMEHKFVSUCNUJK-UHFFFAOYSA-N 0 0 195.247 1.263 10 0 ADAERN CCCCN1N=C(C)[C@@H]2C[C@@H]2C1=O 634585665 347417141 /nfs/dbraw/zinc/41/71/41/347417141.db2.gz NSVACOZNDMFHIV-IUCAKERBSA-N 0 0 180.251 1.641 10 0 ADAERN CC1=NN(CC(C)(C)C)C(=O)[C@H]2C[C@@H]12 634588626 347417201 /nfs/dbraw/zinc/41/72/01/347417201.db2.gz ZKZAGGDGZGSRBR-IUCAKERBSA-N 0 0 194.278 1.887 10 0 ADAERN CCCN1N=CC[C@@H](C)C1=O 634592292 347417231 /nfs/dbraw/zinc/41/72/31/347417231.db2.gz FBTTZAHVLZMBPT-SSDOTTSWSA-N 0 0 154.213 1.251 10 0 ADAERN CCCCN1N=CC[C@@H](C)C1=O 634585649 347417245 /nfs/dbraw/zinc/41/72/45/347417245.db2.gz NCXJPVRRTRTHEP-MRVPVSSYSA-N 0 0 168.240 1.641 10 0 ADAERN CCCN1N=CC[C@H](C)C1=O 634592293 347417267 /nfs/dbraw/zinc/41/72/67/347417267.db2.gz FBTTZAHVLZMBPT-ZETCQYMHSA-N 0 0 154.213 1.251 10 0 ADAERN CC1=NN(C2CCCC2)C(=O)[C@H]2C[C@@H]12 634588031 347417283 /nfs/dbraw/zinc/41/72/83/347417283.db2.gz HKEHGLPBASJIBR-UWVGGRQHSA-N 0 0 192.262 1.783 10 0 ADAERN CCCN1N=C2CCC[C@H]2CC1=O 634592321 347417296 /nfs/dbraw/zinc/41/72/96/347417296.db2.gz FXDUZQNGUMMEJU-QMMMGPOBSA-N 0 0 180.251 1.785 10 0 ADAERN CCCN1NC=C2[C@@H](C1=O)C2(F)F 634592179 347417322 /nfs/dbraw/zinc/41/73/22/347417322.db2.gz AQKLKFUSIQYYQW-RITPCOANSA-N 0 0 188.177 1.106 10 0 ADAERN CCCN1N=C2CCC[C@@H]2CC1=O 634592320 347417326 /nfs/dbraw/zinc/41/73/26/347417326.db2.gz FXDUZQNGUMMEJU-MRVPVSSYSA-N 0 0 180.251 1.785 10 0 ADAERN C[C@H]1CC=NN(C2CCCC2)C1=O 634587882 347417361 /nfs/dbraw/zinc/41/73/61/347417361.db2.gz BMTCAIALATVDFL-QMMMGPOBSA-N 0 0 180.251 1.783 10 0 ADAERN C[C@@H]1CC=NN(c2ccncc2)C1=O 634592071 347417403 /nfs/dbraw/zinc/41/74/03/347417403.db2.gz WRCVJHRZMNZNCK-MRVPVSSYSA-N 0 0 189.218 1.440 10 0 ADAERN C[C@@H]1CC=NN(CC(C)(C)C)C1=O 634588436 347417405 /nfs/dbraw/zinc/41/74/05/347417405.db2.gz SEOIFLMRAAFEDX-MRVPVSSYSA-N 0 0 182.267 1.887 10 0 ADAERN C[C@H]1CC=NN(CC(C)(C)C)C1=O 634588437 347417432 /nfs/dbraw/zinc/41/74/32/347417432.db2.gz SEOIFLMRAAFEDX-QMMMGPOBSA-N 0 0 182.267 1.887 10 0 ADAERN CC1=NN(C2CCCC2)C(=O)[C@@H]2C[C@H]12 634588030 347417436 /nfs/dbraw/zinc/41/74/36/347417436.db2.gz HKEHGLPBASJIBR-NXEZZACHSA-N 0 0 192.262 1.783 10 0 ADAERN C[C@@H]1CC=NN(C2CCCC2)C1=O 634587881 347417485 /nfs/dbraw/zinc/41/74/85/347417485.db2.gz BMTCAIALATVDFL-MRVPVSSYSA-N 0 0 180.251 1.783 10 0 ADAERN CCCN1NC=C2[C@H](C1=O)C2(F)F 634592178 347417490 /nfs/dbraw/zinc/41/74/90/347417490.db2.gz AQKLKFUSIQYYQW-PHDIDXHHSA-N 0 0 188.177 1.106 10 0 ADAERN CCCN1NC=C2[C@H](C1=O)C2(F)F 634592177 347417502 /nfs/dbraw/zinc/41/75/02/347417502.db2.gz AQKLKFUSIQYYQW-NTSWFWBYSA-N 0 0 188.177 1.106 10 0 ADAERN CCCN1N=C(c2ccc[nH]2)CC1=O 634592352 347417843 /nfs/dbraw/zinc/41/78/43/347417843.db2.gz HICYFWJCAVWXSV-UHFFFAOYSA-N 0 0 191.234 1.361 10 0 ADAERN Cc1nn(C(C)C)c2c1C(=O)NC2 634594909 347418148 /nfs/dbraw/zinc/41/81/48/347418148.db2.gz KNDSOLCKDFTLAD-UHFFFAOYSA-N 0 0 179.223 1.016 10 0 ADAERN CCCN1N=C(C)[C@@H]2C[C@@H]2C1=O 634592571 347418222 /nfs/dbraw/zinc/41/82/22/347418222.db2.gz NSZDGZVJSCFJTH-YUMQZZPRSA-N 0 0 166.224 1.251 10 0 ADAERN CC(C)N1N=C(c2ccc[nH]2)CC1=O 634594830 347418308 /nfs/dbraw/zinc/41/83/08/347418308.db2.gz IRTMSLOXAAHHAZ-UHFFFAOYSA-N 0 0 191.234 1.360 10 0 ADAERN CCCN1N=C(C)[C@H]2C[C@H]2C1=O 634592568 347418333 /nfs/dbraw/zinc/41/83/33/347418333.db2.gz NSZDGZVJSCFJTH-HTQZYQBOSA-N 0 0 166.224 1.251 10 0 ADAERN CC(C)N1NC=C2[C@H](C1=O)C2(F)F 634596209 347418681 /nfs/dbraw/zinc/41/86/81/347418681.db2.gz ZCLYNRQZEJEVRN-PHDIDXHHSA-N 0 0 188.177 1.104 10 0 ADAERN CC(C)N1NC=C2[C@H](C1=O)C2(F)F 634596208 347418685 /nfs/dbraw/zinc/41/86/85/347418685.db2.gz ZCLYNRQZEJEVRN-NTSWFWBYSA-N 0 0 188.177 1.104 10 0 ADAERN CC1=NN([C@H](C)C2CC2)C(=O)[C@@H]2C[C@H]12 634597810 347418690 /nfs/dbraw/zinc/41/86/90/347418690.db2.gz VCLVCFUEVBKYOJ-SZEHBUNVSA-N 0 0 192.262 1.639 10 0 ADAERN C[C@H]1CC=NN([C@H](C)C2CC2)C1=O 634597360 347418694 /nfs/dbraw/zinc/41/86/94/347418694.db2.gz HVNGHDTXIOLIPG-JGVFFNPUSA-N 0 0 180.251 1.639 10 0 ADAERN CC(C)N1N=CC[C@@H](C)C1=O 634595873 347418801 /nfs/dbraw/zinc/41/88/01/347418801.db2.gz PDAXWGQVUYFYFB-SSDOTTSWSA-N 0 0 154.213 1.249 10 0 ADAERN CC1=NN([C@H](C)C2CC2)C(=O)[C@H]2C[C@@H]12 634597808 347418803 /nfs/dbraw/zinc/41/88/03/347418803.db2.gz VCLVCFUEVBKYOJ-JEZHCXPESA-N 0 0 192.262 1.639 10 0 ADAERN CC1=NN(C(C)C)C(=O)[C@@H]2C[C@H]12 634595547 347418806 /nfs/dbraw/zinc/41/88/06/347418806.db2.gz FRWATRNUKLKGAL-HTQZYQBOSA-N 0 0 166.224 1.249 10 0 ADAERN COCCn1nc(C)c2c1CCC2 634596299 347418809 /nfs/dbraw/zinc/41/88/09/347418809.db2.gz BWQHNRKQSKTFTA-UHFFFAOYSA-N 0 0 180.251 1.327 10 0 ADAERN CC1=NN(C(C)C)C(=O)[C@@H]1C1CC1 634595522 347418815 /nfs/dbraw/zinc/41/88/15/347418815.db2.gz DZYNFRYSCFIFDI-VIFPVBQESA-N 0 0 180.251 1.639 10 0 ADAERN CC(C)N1NC=C2[C@@H](C1=O)C2(F)F 634596211 347418835 /nfs/dbraw/zinc/41/88/35/347418835.db2.gz ZCLYNRQZEJEVRN-WDSKDSINSA-N 0 0 188.177 1.104 10 0 ADAERN CC1=NN(C(C)C)C(=O)[C@H]2C[C@@H]12 634595550 347418871 /nfs/dbraw/zinc/41/88/71/347418871.db2.gz FRWATRNUKLKGAL-YUMQZZPRSA-N 0 0 166.224 1.249 10 0 ADAERN CC(C)N1NC=C2[C@@H](C1=O)C2(F)F 634596210 347418898 /nfs/dbraw/zinc/41/88/98/347418898.db2.gz ZCLYNRQZEJEVRN-RITPCOANSA-N 0 0 188.177 1.104 10 0 ADAERN C[C@@H](C1CC1)N1N=CC[C@@H](C)C1=O 634597361 347418952 /nfs/dbraw/zinc/41/89/52/347418952.db2.gz HVNGHDTXIOLIPG-SFYZADRCSA-N 0 0 180.251 1.639 10 0 ADAERN CCC[C@H]1C(=O)N(CCOC)N=C1C 634596892 347418955 /nfs/dbraw/zinc/41/89/55/347418955.db2.gz VAYGYYXPZMRNAZ-SECBINFHSA-N 0 0 198.266 1.267 10 0 ADAERN CCC[C@@H]1C(=O)N(CCOC)N=C1C 634596893 347418965 /nfs/dbraw/zinc/41/89/65/347418965.db2.gz VAYGYYXPZMRNAZ-VIFPVBQESA-N 0 0 198.266 1.267 10 0 ADAERN C[C@H]1CC=NN([C@@H](C)C2CC2)C1=O 634597362 347418976 /nfs/dbraw/zinc/41/89/76/347418976.db2.gz HVNGHDTXIOLIPG-YUMQZZPRSA-N 0 0 180.251 1.639 10 0 ADAERN C[C@@H]1CC=NN([C@H](C)C2CC2)C1=O 634597359 347418986 /nfs/dbraw/zinc/41/89/86/347418986.db2.gz HVNGHDTXIOLIPG-HTQZYQBOSA-N 0 0 180.251 1.639 10 0 ADAERN CC1=NN(C(C)C)C(=O)[C@H]1C1CC1 634595521 347418990 /nfs/dbraw/zinc/41/89/90/347418990.db2.gz DZYNFRYSCFIFDI-SECBINFHSA-N 0 0 180.251 1.639 10 0 ADAERN CC(C)N1N=CC[C@H](C)C1=O 634595874 347419032 /nfs/dbraw/zinc/41/90/32/347419032.db2.gz PDAXWGQVUYFYFB-ZETCQYMHSA-N 0 0 154.213 1.249 10 0 ADAERN C[C@@H]1CC=NN(C[C@@H]2CCCO2)C1=O 634598546 347419421 /nfs/dbraw/zinc/41/94/21/347419421.db2.gz NNHRZUCGXXTTNY-BDAKNGLRSA-N 0 0 196.250 1.020 10 0 ADAERN C[C@H]1CC=NN(C2CCOCC2)C1=O 634602091 347419490 /nfs/dbraw/zinc/41/94/90/347419490.db2.gz GSCBZEUTRCUVIZ-QMMMGPOBSA-N 0 0 196.250 1.020 10 0 ADAERN C[C@H]1CC=NN(C[C@H]2CCCO2)C1=O 634598547 347419494 /nfs/dbraw/zinc/41/94/94/347419494.db2.gz NNHRZUCGXXTTNY-DTWKUNHWSA-N 0 0 196.250 1.020 10 0 ADAERN CC1=NN(C[C@H]2CCCO2)C(=O)[C@@H]1C 634598091 347419544 /nfs/dbraw/zinc/41/95/44/347419544.db2.gz CVGFYDFUAOAMIT-VXNVDRBHSA-N 0 0 196.250 1.020 10 0 ADAERN C[C@@H]1CC=NN(C[C@H]2CCCO2)C1=O 634598549 347419581 /nfs/dbraw/zinc/41/95/81/347419581.db2.gz NNHRZUCGXXTTNY-RKDXNWHRSA-N 0 0 196.250 1.020 10 0 ADAERN CC1=NN(C[C@@H]2CCCO2)C(=O)[C@H]1C 634598089 347419729 /nfs/dbraw/zinc/41/97/29/347419729.db2.gz CVGFYDFUAOAMIT-CBAPKCEASA-N 0 0 196.250 1.020 10 0 ADAERN C[C@H]1CC=NN(C[C@@H]2CCCO2)C1=O 634598548 347419735 /nfs/dbraw/zinc/41/97/35/347419735.db2.gz NNHRZUCGXXTTNY-IUCAKERBSA-N 0 0 196.250 1.020 10 0 ADAERN CC1=NN(C[C@H]2CCCO2)C(=O)[C@H]1C 634598090 347419772 /nfs/dbraw/zinc/41/97/72/347419772.db2.gz CVGFYDFUAOAMIT-IONNQARKSA-N 0 0 196.250 1.020 10 0 ADAERN CC1=NN(C[C@@H]2CCCO2)C(=O)[C@@H]1C 634598088 347419779 /nfs/dbraw/zinc/41/97/79/347419779.db2.gz CVGFYDFUAOAMIT-APPZFPTMSA-N 0 0 196.250 1.020 10 0 ADAERN CCC[C@H]1C(=O)N(C[C@H](C)O)N=C1C 634612604 347420050 /nfs/dbraw/zinc/42/00/50/347420050.db2.gz DBFLGOAMUHZQEH-IONNQARKSA-N 0 0 198.266 1.002 10 0 ADAERN CC[C@H]1C(=O)N([C@@H](C)COC)N=C1C 634610655 347420137 /nfs/dbraw/zinc/42/01/37/347420137.db2.gz BUTUIPCLKGKAPG-IONNQARKSA-N 0 0 198.266 1.266 10 0 ADAERN CCCc1cc(=O)n([C@H](C)COC)[n-]1 634610775 347420211 /nfs/dbraw/zinc/42/02/11/347420211.db2.gz GATVVZCODBMHOG-MRVPVSSYSA-N 0 0 198.266 1.410 10 0 ADAERN COC[C@H](C)N1N=C2CCC[C@H]2C1=O 634610969 347420253 /nfs/dbraw/zinc/42/02/53/347420253.db2.gz KTYQYRXMXUWVKS-JGVFFNPUSA-N 0 0 196.250 1.020 10 0 ADAERN COC[C@@H](C)N1N=C2CCC[C@@H]2C1=O 634610970 347420383 /nfs/dbraw/zinc/42/03/83/347420383.db2.gz KTYQYRXMXUWVKS-SFYZADRCSA-N 0 0 196.250 1.020 10 0 ADAERN COC[C@H](C)N1N=C(C)CCC1=O 634610681 347420409 /nfs/dbraw/zinc/42/04/09/347420409.db2.gz CIUKSHKIJZFPOR-QMMMGPOBSA-N 0 0 184.239 1.020 10 0 ADAERN COC[C@@H](C)N1N=C2CCC[C@H]2C1=O 634610968 347420474 /nfs/dbraw/zinc/42/04/74/347420474.db2.gz KTYQYRXMXUWVKS-HTQZYQBOSA-N 0 0 196.250 1.020 10 0 ADAERN CCC[C@@H]1C(=O)N(C[C@H](C)O)N=C1C 634612603 347420482 /nfs/dbraw/zinc/42/04/82/347420482.db2.gz DBFLGOAMUHZQEH-CBAPKCEASA-N 0 0 198.266 1.002 10 0 ADAERN CC[C@H]1C(=O)N([C@H](C)COC)N=C1C 634610656 347420489 /nfs/dbraw/zinc/42/04/89/347420489.db2.gz BUTUIPCLKGKAPG-VXNVDRBHSA-N 0 0 198.266 1.266 10 0 ADAERN CCCc1cc(=O)n([C@@H](C)COC)[n-]1 634610776 347420562 /nfs/dbraw/zinc/42/05/62/347420562.db2.gz GATVVZCODBMHOG-QMMMGPOBSA-N 0 0 198.266 1.410 10 0 ADAERN CCC[C@@H]1C(=O)N(C[C@@H](C)O)N=C1C 634612602 347420571 /nfs/dbraw/zinc/42/05/71/347420571.db2.gz DBFLGOAMUHZQEH-APPZFPTMSA-N 0 0 198.266 1.002 10 0 ADAERN CC[C@@H]1C(=O)N([C@H](C)COC)N=C1C 634610653 347420577 /nfs/dbraw/zinc/42/05/77/347420577.db2.gz BUTUIPCLKGKAPG-APPZFPTMSA-N 0 0 198.266 1.266 10 0 ADAERN CCC[C@@H]1C(=O)N([C@@H](C)CO)N=C1C 634617247 347421184 /nfs/dbraw/zinc/42/11/84/347421184.db2.gz JYTKHZVCBBKEJJ-CBAPKCEASA-N 0 0 198.266 1.002 10 0 ADAERN CCC[C@H]1C(=O)N([C@H](C)CO)N=C1C 634617249 347421241 /nfs/dbraw/zinc/42/12/41/347421241.db2.gz JYTKHZVCBBKEJJ-VXNVDRBHSA-N 0 0 198.266 1.002 10 0 ADAERN CCC[C@@H]1C(=O)N([C@H](C)CO)N=C1C 634617246 347421367 /nfs/dbraw/zinc/42/13/67/347421367.db2.gz JYTKHZVCBBKEJJ-APPZFPTMSA-N 0 0 198.266 1.002 10 0 ADAERN CCC[C@H]1C(=O)N([C@@H](C)CO)N=C1C 634617248 347421444 /nfs/dbraw/zinc/42/14/44/347421444.db2.gz JYTKHZVCBBKEJJ-IONNQARKSA-N 0 0 198.266 1.002 10 0 ADAERN C[C@@H]1CC=NN(C2CC2)C1=O 634618350 347421806 /nfs/dbraw/zinc/42/18/06/347421806.db2.gz OEVJRHBSRQTUOM-ZCFIWIBFSA-N 0 0 152.197 1.003 10 0 ADAERN C[C@H]1CCC2=NN(C3CC3)C(=O)[C@H]21 634618135 347421811 /nfs/dbraw/zinc/42/18/11/347421811.db2.gz HPVUMKWFVZJXRF-RCOVLWMOSA-N 0 0 178.235 1.393 10 0 ADAERN O=C1[C@H]2CCCC2=NN1C1CC1 634618467 347421876 /nfs/dbraw/zinc/42/18/76/347421876.db2.gz RWYRPDQCIPPCJK-ZETCQYMHSA-N 0 0 164.208 1.147 10 0 ADAERN O=C1[C@@H]2CCCC2=NN1C1CC1 634618466 347421883 /nfs/dbraw/zinc/42/18/83/347421883.db2.gz RWYRPDQCIPPCJK-SSDOTTSWSA-N 0 0 164.208 1.147 10 0 ADAERN CC1=NN(C2CC2)C(=O)[C@@H]2C[C@H]12 634618387 347422023 /nfs/dbraw/zinc/42/20/23/347422023.db2.gz PHKVOQOOXFYEHO-HTQZYQBOSA-N 0 0 164.208 1.003 10 0 ADAERN O=c1cc(-c2ccoc2)[n-]n1C1CC1 634617968 347422037 /nfs/dbraw/zinc/42/20/37/347422037.db2.gz CCRNRXPLXLCYMZ-UHFFFAOYSA-N 0 0 190.202 1.378 10 0 ADAERN C[C@@H]1CCC2=NN(C3CC3)C(=O)[C@H]21 634618134 347422077 /nfs/dbraw/zinc/42/20/77/347422077.db2.gz HPVUMKWFVZJXRF-MUWHJKNJSA-N 0 0 178.235 1.393 10 0 ADAERN CC1=NN(C2CC2)C(=O)[C@H]2C[C@@H]12 634618390 347422083 /nfs/dbraw/zinc/42/20/83/347422083.db2.gz PHKVOQOOXFYEHO-YUMQZZPRSA-N 0 0 164.208 1.003 10 0 ADAERN C[C@H]1CC=NN(C2CC2)C1=O 634618349 347422086 /nfs/dbraw/zinc/42/20/86/347422086.db2.gz OEVJRHBSRQTUOM-LURJTMIESA-N 0 0 152.197 1.003 10 0 ADAERN C[C@H]1CCC2=NN(C3CC3)C(=O)[C@@H]21 634618133 347422117 /nfs/dbraw/zinc/42/21/17/347422117.db2.gz HPVUMKWFVZJXRF-IMTBSYHQSA-N 0 0 178.235 1.393 10 0 ADAERN CC1=NN(CC(F)F)C(=O)[C@@H]2C[C@H]12 634622432 347422542 /nfs/dbraw/zinc/42/25/42/347422542.db2.gz DYMSGOCDNFNYHV-PHDIDXHHSA-N 0 0 188.177 1.106 10 0 ADAERN C[C@@H]1CC=NN([C@H]2CCCOC2)C1=O 634621605 347422571 /nfs/dbraw/zinc/42/25/71/347422571.db2.gz LBKRCKPYZVZCSY-BDAKNGLRSA-N 0 0 196.250 1.020 10 0 ADAERN O=C1[C@@H]2CCCC2=NN1CC(F)F 634622439 347422611 /nfs/dbraw/zinc/42/26/11/347422611.db2.gz FKYBMCJNVRWGIY-RXMQYKEDSA-N 0 0 188.177 1.250 10 0 ADAERN CC[C@H](C)n1nc(C)c2c1CNC2=O 634623408 347422641 /nfs/dbraw/zinc/42/26/41/347422641.db2.gz FOPWUFNUNWPJOT-LURJTMIESA-N 0 0 193.250 1.406 10 0 ADAERN CCC[C@@H]1C(=O)N(C2CC2)N=C1C 634619204 347422648 /nfs/dbraw/zinc/42/26/48/347422648.db2.gz RWALSTNSKWWNFW-VIFPVBQESA-N 0 0 180.251 1.783 10 0 ADAERN C[C@H]1CC=NN([C@H]2CCCOC2)C1=O 634621607 347422653 /nfs/dbraw/zinc/42/26/53/347422653.db2.gz LBKRCKPYZVZCSY-IUCAKERBSA-N 0 0 196.250 1.020 10 0 ADAERN CC[C@H](C)N1N=CC[C@@H](C)C1=O 634623534 347422660 /nfs/dbraw/zinc/42/26/60/347422660.db2.gz IMDRDDOMXVDVHG-SFYZADRCSA-N 0 0 168.240 1.639 10 0 ADAERN O=C1[C@H]2CCCC2=NN1CC(F)F 634622440 347422717 /nfs/dbraw/zinc/42/27/17/347422717.db2.gz FKYBMCJNVRWGIY-YFKPBYRVSA-N 0 0 188.177 1.250 10 0 ADAERN CCC[C@H]1C(=O)N(C2CC2)N=C1C 634619203 347422751 /nfs/dbraw/zinc/42/27/51/347422751.db2.gz RWALSTNSKWWNFW-SECBINFHSA-N 0 0 180.251 1.783 10 0 ADAERN CC[C@@H](C)N1N=CC[C@H](C)C1=O 634623533 347422788 /nfs/dbraw/zinc/42/27/88/347422788.db2.gz IMDRDDOMXVDVHG-JGVFFNPUSA-N 0 0 168.240 1.639 10 0 ADAERN CC[C@@H](C)n1nc(C)c2c1CNC2=O 634623409 347422796 /nfs/dbraw/zinc/42/27/96/347422796.db2.gz FOPWUFNUNWPJOT-ZCFIWIBFSA-N 0 0 193.250 1.406 10 0 ADAERN CC[C@@H](C)N1N=CC[C@@H](C)C1=O 634623532 347422845 /nfs/dbraw/zinc/42/28/45/347422845.db2.gz IMDRDDOMXVDVHG-HTQZYQBOSA-N 0 0 168.240 1.639 10 0 ADAERN CC(C)OCCN1N=CC[C@@H](C)C1=O 634619539 347422872 /nfs/dbraw/zinc/42/28/72/347422872.db2.gz BUEYNGRXFNESBT-SECBINFHSA-N 0 0 198.266 1.266 10 0 ADAERN C[C@H]1CC=NN([C@@H]2CCCOC2)C1=O 634621606 347422881 /nfs/dbraw/zinc/42/28/81/347422881.db2.gz LBKRCKPYZVZCSY-DTWKUNHWSA-N 0 0 196.250 1.020 10 0 ADAERN C[C@@H]1CC=NN(CC(F)F)C1=O 634623207 347422887 /nfs/dbraw/zinc/42/28/87/347422887.db2.gz ZLXHEHOWVASVQX-RXMQYKEDSA-N 0 0 176.166 1.106 10 0 ADAERN C[C@H]1CC=NN(CC(F)F)C1=O 634623208 347422894 /nfs/dbraw/zinc/42/28/94/347422894.db2.gz ZLXHEHOWVASVQX-YFKPBYRVSA-N 0 0 176.166 1.106 10 0 ADAERN CC1=NN(CC(F)F)C(=O)[C@H]2C[C@@H]12 634622434 347422910 /nfs/dbraw/zinc/42/29/10/347422910.db2.gz DYMSGOCDNFNYHV-WDSKDSINSA-N 0 0 188.177 1.106 10 0 ADAERN CC(C)OCCN1N=CC[C@H](C)C1=O 634619540 347422946 /nfs/dbraw/zinc/42/29/46/347422946.db2.gz BUEYNGRXFNESBT-VIFPVBQESA-N 0 0 198.266 1.266 10 0 ADAERN C[C@@H]1CC=NN([C@@H]2CCCOC2)C1=O 634621608 347423042 /nfs/dbraw/zinc/42/30/42/347423042.db2.gz LBKRCKPYZVZCSY-RKDXNWHRSA-N 0 0 196.250 1.020 10 0 ADAERN CC[C@H](C)N1N=C(C)[C@H]2C[C@H]2C1=O 634623667 347423428 /nfs/dbraw/zinc/42/34/28/347423428.db2.gz LYWLUIRDHGZMDS-NBEYISGCSA-N 0 0 180.251 1.639 10 0 ADAERN CCc1[n-]n(C23CC(C2)C3)c(=O)c1C 634624630 347423430 /nfs/dbraw/zinc/42/34/30/347423430.db2.gz MHTOFHHCMVSPGH-OBEAGUGNSA-N 0 0 192.262 1.783 10 0 ADAERN O=C1[C@H]2CCCC2=NN1C12CC(C1)C2 634624693 347423454 /nfs/dbraw/zinc/42/34/54/347423454.db2.gz OGRINKUMQOCKII-KAIZJQOQSA-N 0 0 190.246 1.537 10 0 ADAERN CC[C@H](C)N1N=C(C)[C@@H]2C[C@@H]2C1=O 634623668 347423569 /nfs/dbraw/zinc/42/35/69/347423569.db2.gz LYWLUIRDHGZMDS-XVYDVKMFSA-N 0 0 180.251 1.639 10 0 ADAERN CCc1[n-]n(C23CC(C2)C3)c(=O)c1C 634624629 347423596 /nfs/dbraw/zinc/42/35/96/347423596.db2.gz MHTOFHHCMVSPGH-JYPKXMCJSA-N 0 0 192.262 1.783 10 0 ADAERN CC1=NN(C23CC(C2)C3)C(=O)[C@@H]2C[C@H]12 634624891 347423627 /nfs/dbraw/zinc/42/36/27/347423627.db2.gz UCACESUBDQUWAM-VCZAYRLQSA-N 0 0 190.246 1.393 10 0 ADAERN Cc1[n-]n(C23CC(C2)C3)c(=O)c1C 634624753 347423632 /nfs/dbraw/zinc/42/36/32/347423632.db2.gz PPTXBYONGKTMKR-CACVWYNPSA-N 0 0 178.235 1.393 10 0 ADAERN CC1=NN(C23CC(C2)C3)C(=O)[C@@H](C)C1 634624816 347423659 /nfs/dbraw/zinc/42/36/59/347423659.db2.gz RJUGOMYKKPAEQA-DSXZHNHRSA-N 0 0 192.262 1.783 10 0 ADAERN O=C1[C@@H]2CCCC2=NN1C12CC(C1)C2 634624692 347423674 /nfs/dbraw/zinc/42/36/74/347423674.db2.gz 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/nfs/dbraw/zinc/57/00/74/347570074.db2.gz CAADAXJMPBLYCZ-QMMMGPOBSA-N 0 0 192.262 1.784 10 0 ADAERN C[C@@H]1CCN1c1cc(C2CC2)ncn1 641307543 347570247 /nfs/dbraw/zinc/57/02/47/347570247.db2.gz HJZMRKSKWWWRTK-MRVPVSSYSA-N 0 0 189.262 1.953 10 0 ADAERN Cc1cncnc1N1CC[C@@H]1C 641306905 347570271 /nfs/dbraw/zinc/57/02/71/347570271.db2.gz AMEMCPRLBQIKJX-QMMMGPOBSA-N 0 0 163.224 1.384 10 0 ADAERN CC(C)[C@@H](O)CNc1ccncc1F 641392013 347571398 /nfs/dbraw/zinc/57/13/98/347571398.db2.gz RQSJDYWNAGKCEE-JTQLQIEISA-N 0 0 198.241 1.071 10 0 ADAERN C[C@H](CO)[C@H](C)Nc1ccncc1F 641392643 347571416 /nfs/dbraw/zinc/57/14/16/347571416.db2.gz UPGQATLHXYLDHH-SFYZADRCSA-N 0 0 198.241 1.071 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1ccncc1F 641392639 347571465 /nfs/dbraw/zinc/57/14/65/347571465.db2.gz UPGQATLHXYLDHH-HTQZYQBOSA-N 0 0 198.241 1.071 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1ccncc1F 641392642 347571508 /nfs/dbraw/zinc/57/15/08/347571508.db2.gz UPGQATLHXYLDHH-JGVFFNPUSA-N 0 0 198.241 1.071 10 0 ADAERN C[C@H](Nc1ccncc1F)[C@@H](C)CO 641392646 347571581 /nfs/dbraw/zinc/57/15/81/347571581.db2.gz UPGQATLHXYLDHH-YUMQZZPRSA-N 0 0 198.241 1.071 10 0 ADAERN Cc1cncnc1N1CC(C(F)F)C1 641441936 347572382 /nfs/dbraw/zinc/57/23/82/347572382.db2.gz BXNXPPKJISKYGD-UHFFFAOYSA-N 0 0 199.204 1.486 10 0 ADAERN C[C@@H]1OCC[C@@H]1Nc1ccncc1F 641467176 347572849 /nfs/dbraw/zinc/57/28/49/347572849.db2.gz GYHHKEWPMVQPPD-CBAPKCEASA-N 0 0 196.225 1.232 10 0 ADAERN C[C@@H]1OCC[C@H]1Nc1ccncc1F 641467178 347572913 /nfs/dbraw/zinc/57/29/13/347572913.db2.gz GYHHKEWPMVQPPD-IONNQARKSA-N 0 0 196.225 1.232 10 0 ADAERN CCC(F)(F)Cn1ccsc1=O 641453886 347573111 /nfs/dbraw/zinc/57/31/11/347573111.db2.gz RHOWPOXXRSQQEE-UHFFFAOYSA-N 0 0 193.218 1.955 10 0 ADAERN C[C@H]1OCC[C@@H]1Nc1ccncc1F 641467174 347573152 /nfs/dbraw/zinc/57/31/52/347573152.db2.gz GYHHKEWPMVQPPD-APPZFPTMSA-N 0 0 196.225 1.232 10 0 ADAERN CCC(F)(F)Cn1cnccc1=O 641465764 347573178 /nfs/dbraw/zinc/57/31/78/347573178.db2.gz OUYUEJUYAYSEKB-UHFFFAOYSA-N 0 0 188.177 1.289 10 0 ADAERN C[C@H]1OCC[C@H]1Nc1ccncc1F 641467180 347573204 /nfs/dbraw/zinc/57/32/04/347573204.db2.gz GYHHKEWPMVQPPD-VXNVDRBHSA-N 0 0 196.225 1.232 10 0 ADAERN Fc1cnccc1N1CC=CCC1 641502756 347573504 /nfs/dbraw/zinc/57/35/04/347573504.db2.gz GYXYDMGBPMNVAX-UHFFFAOYSA-N 0 0 178.210 1.987 10 0 ADAERN CCC(F)(F)Cn1ccnn1 641483380 347573891 /nfs/dbraw/zinc/57/38/91/347573891.db2.gz NQSRCYOURLMCAV-UHFFFAOYSA-N 0 0 161.155 1.323 10 0 ADAERN CCOC[C@H](C)Nc1ccncc1F 641502308 347573902 /nfs/dbraw/zinc/57/39/02/347573902.db2.gz MEPISGLPJHXUBW-QMMMGPOBSA-N 0 0 198.241 1.480 10 0 ADAERN CCOCCN(C)c1ccncc1F 641476075 347573906 /nfs/dbraw/zinc/57/39/06/347573906.db2.gz HQUXKZZSJHQHGP-UHFFFAOYSA-N 0 0 198.241 1.693 10 0 ADAERN Cc1cncnc1N1CC=CCC1 641502787 347574160 /nfs/dbraw/zinc/57/41/60/347574160.db2.gz HDAHPRSIYLKIOI-UHFFFAOYSA-N 0 0 175.235 1.551 10 0 ADAERN CN(CCCCO)c1ccncc1F 641527764 347574860 /nfs/dbraw/zinc/57/48/60/347574860.db2.gz SZXVXORLSJFIPG-UHFFFAOYSA-N 0 0 198.241 1.429 10 0 ADAERN C[C@@H](F)CCNc1ccncc1F 641611547 347577566 /nfs/dbraw/zinc/57/75/66/347577566.db2.gz WPKGUJZKHVACIY-SSDOTTSWSA-N 0 0 186.205 1.803 10 0 ADAERN C[C@H](F)CCNc1ccncc1F 641611548 347577752 /nfs/dbraw/zinc/57/77/52/347577752.db2.gz WPKGUJZKHVACIY-ZETCQYMHSA-N 0 0 186.205 1.803 10 0 ADAERN CCC1CN(c2ncncc2C)C1 641625928 347578126 /nfs/dbraw/zinc/57/81/26/347578126.db2.gz CFQSYVQBIMZLLR-UHFFFAOYSA-N 0 0 177.251 1.631 10 0 ADAERN FCCCCNc1ccncc1F 641624232 347578323 /nfs/dbraw/zinc/57/83/23/347578323.db2.gz QXNHREPMEMTUPR-UHFFFAOYSA-N 0 0 186.205 1.804 10 0 ADAERN Fc1cnccc1N[C@H]1C[C@@H]2C[C@@H]2C1 641642880 347578423 /nfs/dbraw/zinc/57/84/23/347578423.db2.gz FPWODIKRMKESLJ-AYMMMOKOSA-N 0 0 192.237 1.853 10 0 ADAERN Cc1ncc(COc2cnn(C)c2)o1 641717395 347580696 /nfs/dbraw/zinc/58/06/96/347580696.db2.gz JFQFPRIKXPMTOP-UHFFFAOYSA-N 0 0 193.206 1.296 10 0 ADAERN Cc1ncc(Cn2ccsc2=O)o1 641715385 347580814 /nfs/dbraw/zinc/58/08/14/347580814.db2.gz JWRMPVYVBMEALE-UHFFFAOYSA-N 0 0 196.231 1.255 10 0 ADAERN c1cnn(Cc2cnc(C3CC3)o2)c1 641715170 347580819 /nfs/dbraw/zinc/58/08/19/347580819.db2.gz ISTATIKOSNXHKH-UHFFFAOYSA-N 0 0 189.218 1.797 10 0 ADAERN Cc1cc(C)n(Cc2cnc(C)o2)n1 641716181 347580831 /nfs/dbraw/zinc/58/08/31/347580831.db2.gz XNJDCYQHUMJBGV-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN Cc1ncc(Cn2cccn2)o1 641714500 347580833 /nfs/dbraw/zinc/58/08/33/347580833.db2.gz AUDUVALDBKEVTI-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN CCc1nccn1Cc1cnc(C)o1 641717436 347580854 /nfs/dbraw/zinc/58/08/54/347580854.db2.gz AQEYWPUVELABTQ-UHFFFAOYSA-N 0 0 191.234 1.790 10 0 ADAERN c1cn(Cc2cnc(C3CC3)o2)nn1 641713423 347580907 /nfs/dbraw/zinc/58/09/07/347580907.db2.gz GFKGUQZWWPUOOU-UHFFFAOYSA-N 0 0 190.206 1.192 10 0 ADAERN c1ncn(Cc2cnc(C3CC3)o2)n1 641715422 347581045 /nfs/dbraw/zinc/58/10/45/347581045.db2.gz LDUKQICJQQYPIP-UHFFFAOYSA-N 0 0 190.206 1.192 10 0 ADAERN CCOc1ccn(C[C@@H]2CCCO2)n1 641729485 347582001 /nfs/dbraw/zinc/58/20/01/347582001.db2.gz CUXNNUURCFWTLC-VIFPVBQESA-N 0 0 196.250 1.461 10 0 ADAERN CCOc1ccn(C[C@H]2CCCO2)n1 641729484 347582263 /nfs/dbraw/zinc/58/22/63/347582263.db2.gz CUXNNUURCFWTLC-SECBINFHSA-N 0 0 196.250 1.461 10 0 ADAERN CCOCCOc1ccc(OC)nc1 641732887 347582562 /nfs/dbraw/zinc/58/25/62/347582562.db2.gz IAGHKNORAWZYML-UHFFFAOYSA-N 0 0 197.234 1.506 10 0 ADAERN CCOCCCn1ccc(OCC)n1 641730689 347582615 /nfs/dbraw/zinc/58/26/15/347582615.db2.gz HEYBRVPMGXPRGL-UHFFFAOYSA-N 0 0 198.266 1.708 10 0 ADAERN COc1ccc(OC[C@H](C)OC)cn1 641732501 347582675 /nfs/dbraw/zinc/58/26/75/347582675.db2.gz FQVRUIPYDFNLFQ-QMMMGPOBSA-N 0 0 197.234 1.504 10 0 ADAERN COc1ccc(OCC2CC2)cn1 641731965 347582710 /nfs/dbraw/zinc/58/27/10/347582710.db2.gz CBINCIRANYJLRY-UHFFFAOYSA-N 0 0 179.219 1.879 10 0 ADAERN COc1ccc(OC[C@@H](C)OC)cn1 641732499 347582805 /nfs/dbraw/zinc/58/28/05/347582805.db2.gz FQVRUIPYDFNLFQ-MRVPVSSYSA-N 0 0 197.234 1.504 10 0 ADAERN Cc1c(NCC2(C)CCC2)nnn1C 641781466 347583928 /nfs/dbraw/zinc/58/39/28/347583928.db2.gz RPQGXOWICKZLEK-UHFFFAOYSA-N 0 0 194.282 1.726 10 0 ADAERN Cc1c[nH]c(CN[C@H](C)C(F)F)n1 641794088 347584490 /nfs/dbraw/zinc/58/44/90/347584490.db2.gz KEHPIEYOUNOOBN-ZCFIWIBFSA-N 0 0 189.209 1.461 10 0 ADAERN CC[C@@H]1C[C@@H](N[C@H](C)C(F)F)CO1 641792275 347584579 /nfs/dbraw/zinc/58/45/79/347584579.db2.gz TVWMBKIKAOXILY-BWZBUEFSSA-N 0 0 193.237 1.797 10 0 ADAERN CC[C@@H]1C[C@H](N[C@H](C)C(F)F)CO1 641792276 347584648 /nfs/dbraw/zinc/58/46/48/347584648.db2.gz TVWMBKIKAOXILY-GJMOJQLCSA-N 0 0 193.237 1.797 10 0 ADAERN CC[C@@H]1C[C@@H](N[C@@H](C)C(F)F)CO1 641792277 347584694 /nfs/dbraw/zinc/58/46/94/347584694.db2.gz TVWMBKIKAOXILY-XLPZGREQSA-N 0 0 193.237 1.797 10 0 ADAERN Cc1c[nH]c(CN[C@@H](C)C(F)F)n1 641794082 347584953 /nfs/dbraw/zinc/58/49/53/347584953.db2.gz KEHPIEYOUNOOBN-LURJTMIESA-N 0 0 189.209 1.461 10 0 ADAERN CC[C@@H]1C[C@H](N[C@@H](C)C(F)F)CO1 641792274 347585009 /nfs/dbraw/zinc/58/50/09/347585009.db2.gz TVWMBKIKAOXILY-BIIVOSGPSA-N 0 0 193.237 1.797 10 0 ADAERN C[C@@H]1CCN1C(=O)NCC(F)F 641811737 347585611 /nfs/dbraw/zinc/58/56/11/347585611.db2.gz GFXJQSWDWRFDOG-RXMQYKEDSA-N 0 0 178.182 1.055 10 0 ADAERN C[C@H]1CCN1C(=O)NCC(F)F 641811738 347585715 /nfs/dbraw/zinc/58/57/15/347585715.db2.gz GFXJQSWDWRFDOG-YFKPBYRVSA-N 0 0 178.182 1.055 10 0 ADAERN CC[C@@H](C)C(=O)NCC[C@H]1CCCO1 641972590 347587257 /nfs/dbraw/zinc/58/72/57/347587257.db2.gz VRALBXIDZGSIHX-NXEZZACHSA-N 0 0 199.294 1.718 10 0 ADAERN CC[C@H](C)C(=O)NCC[C@H]1CCCO1 641972592 347587409 /nfs/dbraw/zinc/58/74/09/347587409.db2.gz VRALBXIDZGSIHX-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)NCC[C@H]1CCCO1 641971275 347587701 /nfs/dbraw/zinc/58/77/01/347587701.db2.gz CQILOKFLHYIYCK-BBBLOLIVSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCCO1 641971277 347587673 /nfs/dbraw/zinc/58/76/73/347587673.db2.gz CQILOKFLHYIYCK-OPRDCNLKSA-N 0 0 197.278 1.328 10 0 ADAERN CCN(CCOC)C(=O)c1ccoc1 642059078 347588148 /nfs/dbraw/zinc/58/81/48/347588148.db2.gz HGKHYLKDLSEYIE-UHFFFAOYSA-N 0 0 197.234 1.388 10 0 ADAERN CCN(C)C(=O)c1ccc(COC)o1 642058842 347588248 /nfs/dbraw/zinc/58/82/48/347588248.db2.gz PEWQFWCJBXIZCE-UHFFFAOYSA-N 0 0 197.234 1.518 10 0 ADAERN CCN(CCOC)C(=O)C1CCCC1 642059924 347588714 /nfs/dbraw/zinc/58/87/14/347588714.db2.gz HFMXPLFCVIUSEX-UHFFFAOYSA-N 0 0 199.294 1.672 10 0 ADAERN c1ncn(CCOCC2CCC2)n1 642197036 347590905 /nfs/dbraw/zinc/59/09/05/347590905.db2.gz AOTSUBKUKMELRO-UHFFFAOYSA-N 0 0 181.239 1.095 10 0 ADAERN c1cnn(CCOCC2CCC2)c1 642203414 347590824 /nfs/dbraw/zinc/59/08/24/347590824.db2.gz DWOLFOFDIDJOQG-UHFFFAOYSA-N 0 0 180.251 1.700 10 0 ADAERN CC[C@@H](C)C(=O)NCc1ccnn1C 642216831 347590897 /nfs/dbraw/zinc/59/08/97/347590897.db2.gz ZSKJJNFQJARATP-MRVPVSSYSA-N 0 0 195.266 1.082 10 0 ADAERN O=C(CC1CC1)NCC[C@H]1CCCO1 642204626 347590922 /nfs/dbraw/zinc/59/09/22/347590922.db2.gz JVDKMUXQFWKRNN-SNVBAGLBSA-N 0 0 197.278 1.472 10 0 ADAERN COC1(COc2cnn(C)c2)CCC1 642238589 347591342 /nfs/dbraw/zinc/59/13/42/347591342.db2.gz CELZTNORZYRHKA-UHFFFAOYSA-N 0 0 196.250 1.368 10 0 ADAERN CCc1nnc(N(CC)CC)n1CC 642262046 347591864 /nfs/dbraw/zinc/59/18/64/347591864.db2.gz DQLZPAANRFMKNL-UHFFFAOYSA-N 0 0 196.298 1.707 10 0 ADAERN CCCn1nccc1NC(=O)C1CC1 642269526 347592601 /nfs/dbraw/zinc/59/26/01/347592601.db2.gz SMWOGWIIDPVBFC-UHFFFAOYSA-N 0 0 193.250 1.642 10 0 ADAERN Cc1nccc(N[C@H]2C[C@@](C)(O)C2)n1 642297081 347592828 /nfs/dbraw/zinc/59/28/28/347592828.db2.gz STOVEFHQBCNJCS-WAAGHKOSSA-N 0 0 193.250 1.110 10 0 ADAERN CCCn1nccc1NC(=O)C(C)C 642269518 347592853 /nfs/dbraw/zinc/59/28/53/347592853.db2.gz LWBVXOWGGPWMCT-UHFFFAOYSA-N 0 0 195.266 1.888 10 0 ADAERN Cc1cc(N[C@H]2C[C@@](C)(O)C2)ncn1 642298195 347592891 /nfs/dbraw/zinc/59/28/91/347592891.db2.gz JRWOGSXQZMQNLO-WAAGHKOSSA-N 0 0 193.250 1.110 10 0 ADAERN Cc1cnc(N[C@H]2C[C@@](C)(O)C2)nc1 642297092 347592901 /nfs/dbraw/zinc/59/29/01/347592901.db2.gz UYVXIOYYIHBVNR-WAAGHKOSSA-N 0 0 193.250 1.110 10 0 ADAERN C[C@@H]1CN(c2cccnn2)[C@@H](C)[C@H]1C 642318053 347593194 /nfs/dbraw/zinc/59/31/94/347593194.db2.gz NXEHTDDYBVDNKF-UTLUCORTSA-N 0 0 191.278 1.957 10 0 ADAERN CC[C@H](C)N(C)C(=O)Cn1ccnc1 642329978 347593197 /nfs/dbraw/zinc/59/31/97/347593197.db2.gz WPQDBITXYGPBRQ-VIFPVBQESA-N 0 0 195.266 1.140 10 0 ADAERN C[C@@H]1CN(c2cccnn2)[C@H](C)[C@@H]1C 642318052 347593219 /nfs/dbraw/zinc/59/32/19/347593219.db2.gz NXEHTDDYBVDNKF-OPRDCNLKSA-N 0 0 191.278 1.957 10 0 ADAERN Cc1nnc(N2C[C@H](C)[C@@H](C)[C@H]2C)o1 642318656 347593235 /nfs/dbraw/zinc/59/32/35/347593235.db2.gz DSUQGYQQUDHYFB-XLPZGREQSA-N 0 0 195.266 1.859 10 0 ADAERN C[C@@H]1CN(c2cccnn2)[C@@H](C)[C@@H]1C 642318050 347593254 /nfs/dbraw/zinc/59/32/54/347593254.db2.gz NXEHTDDYBVDNKF-BBBLOLIVSA-N 0 0 191.278 1.957 10 0 ADAERN Cc1nnc(N2C[C@H](C)[C@H](C)[C@@H]2C)o1 642318654 347593347 /nfs/dbraw/zinc/59/33/47/347593347.db2.gz DSUQGYQQUDHYFB-FXQIFTODSA-N 0 0 195.266 1.859 10 0 ADAERN CCCN(CC)C(=O)Cn1ccnc1 642329951 347593357 /nfs/dbraw/zinc/59/33/57/347593357.db2.gz JIHOGYCTXGEJMP-UHFFFAOYSA-N 0 0 195.266 1.142 10 0 ADAERN Cc1nnc(N2C[C@H](C)[C@@H](C)[C@@H]2C)o1 642318655 347593366 /nfs/dbraw/zinc/59/33/66/347593366.db2.gz DSUQGYQQUDHYFB-RNJXMRFFSA-N 0 0 195.266 1.859 10 0 ADAERN CC[C@@H](C)N(C)C(=O)Cn1ccnc1 642329977 347593386 /nfs/dbraw/zinc/59/33/86/347593386.db2.gz WPQDBITXYGPBRQ-SECBINFHSA-N 0 0 195.266 1.140 10 0 ADAERN COCCCCN(C)c1cccnn1 642325655 347593404 /nfs/dbraw/zinc/59/34/04/347593404.db2.gz GDGLSVIYQTUZQD-UHFFFAOYSA-N 0 0 195.266 1.339 10 0 ADAERN C[C@@H]1CN(c2cccnn2)[C@H](C)[C@H]1C 642318051 347593453 /nfs/dbraw/zinc/59/34/53/347593453.db2.gz NXEHTDDYBVDNKF-KXUCPTDWSA-N 0 0 191.278 1.957 10 0 ADAERN Cc1nnc(N2C[C@H](C)[C@H](C)[C@H]2C)o1 642318653 347593547 /nfs/dbraw/zinc/59/35/47/347593547.db2.gz DSUQGYQQUDHYFB-BIIVOSGPSA-N 0 0 195.266 1.859 10 0 ADAERN CCc1nnc(N(C)C2CC2)n1CC 642333593 347593553 /nfs/dbraw/zinc/59/35/53/347593553.db2.gz RJDLLDZSSITQMH-UHFFFAOYSA-N 0 0 194.282 1.459 10 0 ADAERN CCCCCn1cc(C)cnc1=O 642344759 347593782 /nfs/dbraw/zinc/59/37/82/347593782.db2.gz HBAUPPHZFRIEDI-UHFFFAOYSA-N 0 0 180.251 1.742 10 0 ADAERN CC(C)(C)OCCCOn1cccn1 642365256 347593855 /nfs/dbraw/zinc/59/38/55/347593855.db2.gz BKNAZAGIWMWWGW-UHFFFAOYSA-N 0 0 198.266 1.517 10 0 ADAERN CC/C=C/CCn1cc(C)cnc1=O 642344753 347593939 /nfs/dbraw/zinc/59/39/39/347593939.db2.gz FXZFDEDYTWEQIO-SNAWJCMRSA-N 0 0 192.262 1.908 10 0 ADAERN CC/C=C\CCn1cc(C)cnc1=O 642344752 347594074 /nfs/dbraw/zinc/59/40/74/347594074.db2.gz FXZFDEDYTWEQIO-PLNGDYQASA-N 0 0 192.262 1.908 10 0 ADAERN c1cnn(OCC[C@@H]2CCCCO2)c1 642365340 347594380 /nfs/dbraw/zinc/59/43/80/347594380.db2.gz UERCYRLDJIBAHA-JTQLQIEISA-N 0 0 196.250 1.271 10 0 ADAERN COC(C)(C)CCOn1cccn1 642365351 347594417 /nfs/dbraw/zinc/59/44/17/347594417.db2.gz VLAGITQETXJISA-UHFFFAOYSA-N 0 0 184.239 1.127 10 0 ADAERN c1cnn(OCC[C@H]2CCCCO2)c1 642365341 347594443 /nfs/dbraw/zinc/59/44/43/347594443.db2.gz UERCYRLDJIBAHA-SNVBAGLBSA-N 0 0 196.250 1.271 10 0 ADAERN CC(C)COCCc1cn[nH]n1 642367193 347594448 /nfs/dbraw/zinc/59/44/48/347594448.db2.gz RJVWLGWOKWUXRZ-UHFFFAOYSA-N 0 0 169.228 1.020 10 0 ADAERN c1n[nH]nc1CCOCCC1CC1 642367182 347594456 /nfs/dbraw/zinc/59/44/56/347594456.db2.gz LFTBUNRUTSWQHN-UHFFFAOYSA-N 0 0 181.239 1.164 10 0 ADAERN c1n[nH]nc1CCOCC1CCC1 642367183 347594470 /nfs/dbraw/zinc/59/44/70/347594470.db2.gz LOBUARVSFDLXDZ-UHFFFAOYSA-N 0 0 181.239 1.164 10 0 ADAERN CC/C=C\CCOCCc1cn[nH]n1 642367191 347594485 /nfs/dbraw/zinc/59/44/85/347594485.db2.gz RIKLFQIGWCXQAP-ARJAWSKDSA-N 0 0 195.266 1.720 10 0 ADAERN CC[C@H](C)COCCc1cn[nH]n1 642367176 347594499 /nfs/dbraw/zinc/59/44/99/347594499.db2.gz BULHZCWXSYCSBT-QMMMGPOBSA-N 0 0 183.255 1.410 10 0 ADAERN c1n[nH]nc1CCOC1CCCC1 642367187 347594532 /nfs/dbraw/zinc/59/45/32/347594532.db2.gz ONHBBPJPUWEMPZ-UHFFFAOYSA-N 0 0 181.239 1.306 10 0 ADAERN CC[C@@H](C)COCCc1cn[nH]n1 642367175 347594546 /nfs/dbraw/zinc/59/45/46/347594546.db2.gz BULHZCWXSYCSBT-MRVPVSSYSA-N 0 0 183.255 1.410 10 0 ADAERN CCCCOCCc1cn[nH]n1 642365354 347594564 /nfs/dbraw/zinc/59/45/64/347594564.db2.gz WBHTZDOFECZCAM-UHFFFAOYSA-N 0 0 169.228 1.164 10 0 ADAERN CC(C)CCCOCCc1cn[nH]n1 642365301 347594569 /nfs/dbraw/zinc/59/45/69/347594569.db2.gz KXMQODOMWYRXQS-UHFFFAOYSA-N 0 0 197.282 1.800 10 0 ADAERN CC/C=C/CCOCCc1cn[nH]n1 642367192 347594593 /nfs/dbraw/zinc/59/45/93/347594593.db2.gz RIKLFQIGWCXQAP-ONEGZZNKSA-N 0 0 195.266 1.720 10 0 ADAERN c1n[nH]nc1CCOCC1CCCC1 642367181 347594598 /nfs/dbraw/zinc/59/45/98/347594598.db2.gz KRZLXAUCMQZNPU-UHFFFAOYSA-N 0 0 195.266 1.554 10 0 ADAERN CC(C)=CCOCCc1cn[nH]n1 642367197 347594656 /nfs/dbraw/zinc/59/46/56/347594656.db2.gz UNYHWLCDLQGGCO-UHFFFAOYSA-N 0 0 181.239 1.330 10 0 ADAERN CCCCCOCCc1cn[nH]n1 642365299 347594684 /nfs/dbraw/zinc/59/46/84/347594684.db2.gz KFMJFKKKVXCAED-UHFFFAOYSA-N 0 0 183.255 1.554 10 0 ADAERN COCc1ccccc1OCCO 642444966 347594705 /nfs/dbraw/zinc/59/47/05/347594705.db2.gz BGBRNWKPXBGRDZ-UHFFFAOYSA-N 0 0 182.219 1.204 10 0 ADAERN CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1=O 642410780 347594715 /nfs/dbraw/zinc/59/47/15/347594715.db2.gz VTOOXXKHKNDIRZ-UVMAFCGOSA-N 0 0 193.246 1.037 10 0 ADAERN CCCn1nccc1NC(=O)NCC 642456657 347595013 /nfs/dbraw/zinc/59/50/13/347595013.db2.gz WIFGVNVHXFCRTF-UHFFFAOYSA-N 0 0 196.254 1.435 10 0 ADAERN CCCOc1cccc(NC(N)=O)c1 642498613 347595417 /nfs/dbraw/zinc/59/54/17/347595417.db2.gz IBZLXGGURRUFGF-UHFFFAOYSA-N 0 0 194.234 1.966 10 0 ADAERN C/C=C\CN1C(=O)N[C@H](C(C)C)C1=O 642608776 347595840 /nfs/dbraw/zinc/59/58/40/347595840.db2.gz VLRABMZPHMTGNR-PULIVWKDSA-N 0 0 196.250 1.139 10 0 ADAERN C/C=C/CN1C(=O)N[C@@H](C(C)C)C1=O 642608778 347595856 /nfs/dbraw/zinc/59/58/56/347595856.db2.gz VLRABMZPHMTGNR-ZJELKQJVSA-N 0 0 196.250 1.139 10 0 ADAERN C/C=C/CN1C(=O)N[C@H](C(C)C)C1=O 642608777 347595882 /nfs/dbraw/zinc/59/58/82/347595882.db2.gz VLRABMZPHMTGNR-WTSVBCDHSA-N 0 0 196.250 1.139 10 0 ADAERN CCOCCCC(=O)N[C@@H](C)C1CC1 642578068 347595884 /nfs/dbraw/zinc/59/58/84/347595884.db2.gz AZUAWEMZWJGVSU-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN C/C=C/CN1C(=O)N[C@](C)(CC)C1=O 642606674 347595937 /nfs/dbraw/zinc/59/59/37/347595937.db2.gz FLBZAVGSUKORRN-DFVUYQKZSA-N 0 0 196.250 1.283 10 0 ADAERN C/C=C/CN1C(=O)N(C)C(C)(C)C1=O 642609707 347595947 /nfs/dbraw/zinc/59/59/47/347595947.db2.gz XRFYYUFEQGANPY-AATRIKPKSA-N 0 0 196.250 1.235 10 0 ADAERN CCCN1C(=O)CC(CC)(CC)C1=O 642608986 347595974 /nfs/dbraw/zinc/59/59/74/347595974.db2.gz BNCPDYJQHKYVMC-UHFFFAOYSA-N 0 0 197.278 1.962 10 0 ADAERN C/C=C\CN1C(=O)N[C@@H](C(C)C)C1=O 642608775 347595976 /nfs/dbraw/zinc/59/59/76/347595976.db2.gz VLRABMZPHMTGNR-LGYSABEFSA-N 0 0 196.250 1.139 10 0 ADAERN C/C=C\CN1C(=O)N[C@](C)(CC)C1=O 642606673 347595982 /nfs/dbraw/zinc/59/59/82/347595982.db2.gz FLBZAVGSUKORRN-AYYIZTPMSA-N 0 0 196.250 1.283 10 0 ADAERN C/C=C\CN1C(=O)N[C@@](C)(CC)C1=O 642606675 347596011 /nfs/dbraw/zinc/59/60/11/347596011.db2.gz FLBZAVGSUKORRN-OAQKJQOQSA-N 0 0 196.250 1.283 10 0 ADAERN C/C=C\CN1C(=O)N(C)C(C)(C)C1=O 642609708 347596091 /nfs/dbraw/zinc/59/60/91/347596091.db2.gz XRFYYUFEQGANPY-WAYWQWQTSA-N 0 0 196.250 1.235 10 0 ADAERN CCOCCCC(=O)N(CC)C1CC1 642669157 347599023 /nfs/dbraw/zinc/59/90/23/347599023.db2.gz GYGDSLYNAWILIH-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN CNC(=O)c1cc(-c2ccoc2)n[nH]1 642662212 347599252 /nfs/dbraw/zinc/59/92/52/347599252.db2.gz OKLHPXHLVDOQNM-UHFFFAOYSA-N 0 0 191.190 1.029 10 0 ADAERN CC[C@@H](CN(C)Cc1cc[nH]n1)OC 642687035 347599907 /nfs/dbraw/zinc/59/99/07/347599907.db2.gz FHMZJMVWMUISMT-JTQLQIEISA-N 0 0 197.282 1.267 10 0 ADAERN CC[C@H](CN(C)Cc1cc[nH]n1)OC 642687036 347600096 /nfs/dbraw/zinc/60/00/96/347600096.db2.gz FHMZJMVWMUISMT-SNVBAGLBSA-N 0 0 197.282 1.267 10 0 ADAERN CC(C)(C)NC(=O)N1CC(C2CC2)C1 642936368 347605698 /nfs/dbraw/zinc/60/56/98/347605698.db2.gz PJFZRHMYCVJOSP-UHFFFAOYSA-N 0 0 196.294 1.836 10 0 ADAERN O=C(NCC1CC1)N1CC(C2CC2)C1 642936379 347605700 /nfs/dbraw/zinc/60/57/00/347605700.db2.gz SYFVJDVVLSYOIY-UHFFFAOYSA-N 0 0 194.278 1.448 10 0 ADAERN CC(C)CNC(=O)N1CC(C2CC2)C1 642936341 347605886 /nfs/dbraw/zinc/60/58/86/347605886.db2.gz COKUAWZVVSVSTN-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN CC/C=C/CN1C(=O)N[C@H](CC)C1=O 642951533 347606246 /nfs/dbraw/zinc/60/62/46/347606246.db2.gz MQHOKNJDFFTMFU-HQZHTGGTSA-N 0 0 196.250 1.283 10 0 ADAERN CC/C=C\CN1C(=O)N[C@H](CC)C1=O 642951534 347606268 /nfs/dbraw/zinc/60/62/68/347606268.db2.gz MQHOKNJDFFTMFU-RPSMYOMKSA-N 0 0 196.250 1.283 10 0 ADAERN O[C@@H]1CCCC12CCC[C@H]2O 39928 351267817 /nfs/dbraw/zinc/26/78/17/351267817.db2.gz ACIVJWAOSTYYEP-ZAZKALAHSA-N 0 0 156.225 1.062 10 0 ADAERN Oc1cccc(-c2c[nH]nn2)c1 9120 351267923 /nfs/dbraw/zinc/26/79/23/351267923.db2.gz FAYFDHFGXKGPQA-UHFFFAOYSA-N 0 0 161.164 1.177 10 0 ADAERN CCOc1nc2ccccc2c(=O)[nH]1 40049 351268170 /nfs/dbraw/zinc/26/81/70/351268170.db2.gz IZTVDIPTVRRDIE-UHFFFAOYSA-N 0 0 190.202 1.322 10 0 ADAERN OCc1noc(-c2cccs2)n1 77644 351269100 /nfs/dbraw/zinc/26/91/00/351269100.db2.gz VTKXVSONTHNLFV-UHFFFAOYSA-N 0 0 182.204 1.290 10 0 ADAERN S=C1N=NC(NCC2CC2)S1 100823 351269153 /nfs/dbraw/zinc/26/91/53/351269153.db2.gz GFUPFRRPORQHFD-UHFFFAOYSA-N 0 0 187.293 1.649 10 0 ADAERN c1ccc2c(c1)ccn1nnnc21 68738 351269435 /nfs/dbraw/zinc/26/94/35/351269435.db2.gz COMOPPWHAFYNPA-UHFFFAOYSA-N 0 0 170.175 1.278 10 0 ADAERN C[C@@H]1CC(=O)Nc2ccccc2O1 161123 351272356 /nfs/dbraw/zinc/27/23/56/351272356.db2.gz ZPCZQESAHAVOLW-SSDOTTSWSA-N 0 0 177.203 1.796 10 0 ADAERN c1ccc2c(C3=NCCO3)c[nH]c2c1 172719 351273184 /nfs/dbraw/zinc/27/31/84/351273184.db2.gz QICKCSNPIWUMDS-UHFFFAOYSA-N 0 0 186.214 1.945 10 0 ADAERN CC[C@@H](C)n1c(=O)[nH][nH]c1=S 166623 351273194 /nfs/dbraw/zinc/27/31/94/351273194.db2.gz MDZQFAWYOWYIRZ-SCSAIBSYSA-N 0 0 173.241 1.205 10 0 ADAERN c1coc(-c2ccncn2)c1 334260 351275512 /nfs/dbraw/zinc/27/55/12/351275512.db2.gz JJVYEIIAFBXFEX-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN O[C@H]1c2cccc3cccc(c23)[C@@H]1O 345540 351275993 /nfs/dbraw/zinc/27/59/93/351275993.db2.gz ARGFAPRYULRPAN-RYUDHWBXSA-N 0 0 186.210 1.920 10 0 in-vitro ADAERN CC(=O)Nc1ccc2ncccc2n1 343474 351276221 /nfs/dbraw/zinc/27/62/21/351276221.db2.gz GXPZKPVBYNLJSV-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN COc1ccc(OC(N)=O)cc1 335472 351276406 /nfs/dbraw/zinc/27/64/06/351276406.db2.gz NIHHYKUHSZFXTC-UHFFFAOYSA-N 0 0 167.164 1.567 10 0 ADAERN O[C@H]1c2ccccc2CC[C@H]1O 391947 351277802 /nfs/dbraw/zinc/27/78/02/351277802.db2.gz KMQJJAOZMONGLS-ZJUUUORDSA-N 0 0 164.204 1.027 10 0 ADAERN O[C@H]1C=CC=C(c2ccccc2)[C@H]1O 403273 351279303 /nfs/dbraw/zinc/27/93/03/351279303.db2.gz UMAHGMFKBJHGME-NWDGAFQWSA-N 0 0 188.226 1.362 10 0 in-vitro ADAERN c1ccc(Nc2ncccn2)nc1 1267756 351284095 /nfs/dbraw/zinc/28/40/95/351284095.db2.gz LMZLTBMBIZUPOS-UHFFFAOYSA-N 0 0 172.191 1.615 10 0 ADAERN O=c1ccnc(N2CCCCCC2)[nH]1 1281323 351284516 /nfs/dbraw/zinc/28/45/16/351284516.db2.gz WJKXFJPBWJPKBS-UHFFFAOYSA-N 0 0 193.250 1.150 10 0 ADAERN c1ccc2c(-n3ccnc3)ncnc2c1 1292914 351284529 /nfs/dbraw/zinc/28/45/29/351284529.db2.gz CYQSDCKYYKELJQ-UHFFFAOYSA-N 0 0 196.213 1.816 10 0 ADAERN O=c1ccn(-c2ccccc2)cc1 1463392 351286574 /nfs/dbraw/zinc/28/65/74/351286574.db2.gz DGYQMWOGVUXAFM-UHFFFAOYSA-N 0 0 171.199 1.838 10 0 ADAERN O=Cc1ccc2occc2c1O 1562935 351287100 /nfs/dbraw/zinc/28/71/00/351287100.db2.gz VXNVBBRZMYBRAD-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN O=c1cc2cccccc-2o1 1565792 351287759 /nfs/dbraw/zinc/28/77/59/351287759.db2.gz LBFAKLHYVDQHRO-UHFFFAOYSA-N 0 0 146.145 1.745 10 0 ADAERN C[C@@H](OC=O)c1ccccc1 1597294 351289240 /nfs/dbraw/zinc/28/92/40/351289240.db2.gz RUDZCBJWUDOPTP-MRVPVSSYSA-N 0 0 150.177 1.921 10 0 endogenous,in-man ADAERN OC[C@H](O)CC1CCCCC1 1598581 351290190 /nfs/dbraw/zinc/29/01/90/351290190.db2.gz VBYGXJRZJBIYBN-SECBINFHSA-N 0 0 158.241 1.310 10 0 ADAERN c1cc2cnncc2cn1 1606663 351290212 /nfs/dbraw/zinc/29/02/12/351290212.db2.gz IHYJXEQIZYROGA-UHFFFAOYSA-N 0 0 131.138 1.025 10 0 ADAERN CCOc1cnc(OCC)nc1 1634212 351290844 /nfs/dbraw/zinc/29/08/44/351290844.db2.gz VNVQWDLQYPWIQM-UHFFFAOYSA-N 0 0 168.196 1.274 10 0 ADAERN C[C@@H]1CO[C@@H](c2ccco2)O1 1674310 351292840 /nfs/dbraw/zinc/29/28/40/351292840.db2.gz YYYNPYRBPLTQJC-HTRCEHHLSA-N 0 0 154.165 1.714 10 0 ADAERN C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1CO 1693789 351294984 /nfs/dbraw/zinc/29/49/84/351294984.db2.gz NMGSGTKBIPOQSD-XAVMHZPKSA-N 0 0 140.226 1.661 10 0 ADAERN O=P1(c2ccccc2)OCCO1 1737302 351298699 /nfs/dbraw/zinc/29/86/99/351298699.db2.gz PPKMPJYJEVNNCV-UHFFFAOYSA-N 0 0 184.131 1.552 10 0 ADAERN C[C@@H]([C@H]([NH3+])C(=O)[O-])C(C)(C)C 1759514 351299499 /nfs/dbraw/zinc/29/94/99/351299499.db2.gz VSVANDHBXJEGCX-WDSKDSINSA-N 0 0 159.229 1.081 10 0 ADAERN C[C@@H](O)c1ccc2[nH]c(=O)oc2c1 2003001 351300798 /nfs/dbraw/zinc/30/07/98/351300798.db2.gz QIVZJZRUAFFKPJ-RXMQYKEDSA-N 0 0 179.175 1.174 10 0 ADAERN CC(C)C12COP(=O)(OC1)OC2 2005563 351300850 /nfs/dbraw/zinc/30/08/50/351300850.db2.gz CIEZMYRJRCLYNF-UHFFFAOYSA-N 0 0 192.151 1.814 10 0 ADAERN c1ccc([C@H]2COCO2)cc1 2004450 351301078 /nfs/dbraw/zinc/30/10/78/351301078.db2.gz OVKDCYKVNYLEHK-SECBINFHSA-N 0 0 150.177 1.732 10 0 ADAERN CCOc1ccc(NC(=O)CF)cc1 1998326 351301108 /nfs/dbraw/zinc/30/11/08/351301108.db2.gz QKTVZEKNPVUIIT-UHFFFAOYSA-N 0 0 197.209 1.993 10 0 ADAERN CC[C@@H](C)OC[C@H](C)O 2003401 351301152 /nfs/dbraw/zinc/30/11/52/351301152.db2.gz KJOVIRMWPFJSTR-NKWVEPMBSA-N 0 0 132.203 1.182 10 0 ADAERN C[C@@H]1CC(=O)C1(C)C 2039554 351301958 /nfs/dbraw/zinc/30/19/58/351301958.db2.gz XCNUTNIUANPMKW-RXMQYKEDSA-N 0 0 112.172 1.622 10 0 ADAERN OCCCCCCCF 2040631 351302840 /nfs/dbraw/zinc/30/28/40/351302840.db2.gz BZIZKLZGQRAKFR-UHFFFAOYSA-N 0 0 134.194 1.899 10 0 ADAERN CC[C@@H](C)S(=O)(=O)[C@H](C)CC 2389867 351307272 /nfs/dbraw/zinc/30/72/72/351307272.db2.gz JLVVWUGZAUGXNZ-HTQZYQBOSA-N 0 0 178.297 1.998 10 0 ADAERN C[C@@H](c1ccccc1)N(C)C=O 2047879 351304421 /nfs/dbraw/zinc/30/44/21/351304421.db2.gz YYPINKULTUCCJA-VIFPVBQESA-N 0 0 163.220 1.836 10 0 in-vivo ADAERN OCc1ccc(CO)c2ccccc12 2525193 351309384 /nfs/dbraw/zinc/30/93/84/351309384.db2.gz JAKLGXVFNYYOSU-UHFFFAOYSA-N 0 0 188.226 1.824 10 0 ADAERN Oc1cnc2occc2c1 18551775 351384837 /nfs/dbraw/zinc/38/48/37/351384837.db2.gz BFMOJEAILMLAFI-UHFFFAOYSA-N 0 0 135.122 1.533 10 0 ADAERN OCc1cc(O)c(F)c(F)c1 2539971 351310166 /nfs/dbraw/zinc/31/01/66/351310166.db2.gz WMRUTQOXEWAKQM-UHFFFAOYSA-N 0 0 160.119 1.163 10 0 ADAERN C[C@@H]1CCCOC1 2539301 351310295 /nfs/dbraw/zinc/31/02/95/351310295.db2.gz UJQZTMFRMLEYQN-ZCFIWIBFSA-N 0 0 100.161 1.433 10 0 ADAERN O=Cc1ccc(Cn2cccn2)o1 2557853 351311371 /nfs/dbraw/zinc/31/13/71/351311371.db2.gz HSPUBXWLOPNBCJ-UHFFFAOYSA-N 0 0 176.175 1.337 10 0 ADAERN O=C1CCCC[C@@]12CCCC2=O 3074764 351315646 /nfs/dbraw/zinc/31/56/46/351315646.db2.gz CJJDVNIGHOGQMJ-SNVBAGLBSA-N 0 0 166.220 1.869 10 0 ADAERN c1cncc(-c2nnc3n2CCC3)c1 3103748 351315778 /nfs/dbraw/zinc/31/57/78/351315778.db2.gz KRXVOVAXYZDYHI-UHFFFAOYSA-N 0 0 186.218 1.286 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(C1)OC(N)=NC2=O 3617427 351317939 /nfs/dbraw/zinc/31/79/39/351317939.db2.gz OCLPDFZMHGEFPC-RNFRBKRXSA-N 0 0 196.250 1.053 10 0 ADAERN O[C@H]1c2nc(Cl)ccc2C=C[C@H]1O 3651251 351319537 /nfs/dbraw/zinc/31/95/37/351319537.db2.gz IFNXHWSNYLLEOV-HZGVNTEJSA-N 0 0 197.621 1.156 10 0 ADAERN O=c1cc(O)cc(-c2ccccc2)[nH]1 3944950 351323614 /nfs/dbraw/zinc/32/36/14/351323614.db2.gz HWBYIZIHSOFIDT-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN OC[C@@H]1CC=C(Cl)C[C@H]1CO 4111831 351324656 /nfs/dbraw/zinc/32/46/56/351324656.db2.gz NDQZQDZMTSDYCP-BQBZGAKWSA-N 0 0 176.643 1.120 10 0 ADAERN OC[C@H]1CC(Cl)=CC[C@H]1CO 4111830 351324765 /nfs/dbraw/zinc/32/47/65/351324765.db2.gz NDQZQDZMTSDYCP-NKWVEPMBSA-N 0 0 176.643 1.120 10 0 ADAERN OC[C@H]1CC=C(Cl)C[C@H]1CO 4111833 351324808 /nfs/dbraw/zinc/32/48/08/351324808.db2.gz NDQZQDZMTSDYCP-RQJHMYQMSA-N 0 0 176.643 1.120 10 0 ADAERN OC[C@H]1CC=C(Cl)C[C@@H]1CO 4111832 351325193 /nfs/dbraw/zinc/32/51/93/351325193.db2.gz NDQZQDZMTSDYCP-RNFRBKRXSA-N 0 0 176.643 1.120 10 0 ADAERN CCOc1n[nH]c(-c2cccs2)n1 4239768 351326048 /nfs/dbraw/zinc/32/60/48/351326048.db2.gz ODDJCFCZCHLSTD-UHFFFAOYSA-N 0 0 195.247 1.932 10 0 ADAERN C[C@@H]1CC(=O)NN=C1c1cccs1 4335964 351327855 /nfs/dbraw/zinc/32/78/55/351327855.db2.gz BOCCVGZLBZVNLV-ZCFIWIBFSA-N 0 0 194.259 1.608 10 0 ADAERN S=C1NCCN1Cc1ccccc1 4323603 351328228 /nfs/dbraw/zinc/32/82/28/351328228.db2.gz XNPVCJCUZCIAIH-UHFFFAOYSA-N 0 0 192.287 1.377 10 0 ADAERN O=N/C=C1\C=CC=CN1 4758521 351333657 /nfs/dbraw/zinc/33/36/57/351333657.db2.gz VRGKDCRTYBCJTA-AATRIKPKSA-N 0 0 122.127 1.267 10 0 ADAERN OCc1c[nH]c(=S)n1C1CCCC1 5066062 351337983 /nfs/dbraw/zinc/33/79/83/351337983.db2.gz UMXAUAVFWXLCSK-UHFFFAOYSA-N 0 0 198.291 1.779 10 0 ADAERN CCOc1cc(N)ccc1N 5114884 351338460 /nfs/dbraw/zinc/33/84/60/351338460.db2.gz PKMIIMPMZIHGAJ-UHFFFAOYSA-N 0 0 152.197 1.250 10 0 ADAERN Cc1cnc2ccc3c(ncn3C)c2n1 5116406 351338537 /nfs/dbraw/zinc/33/85/37/351338537.db2.gz NILMZQGTKPQKSL-UHFFFAOYSA-N 0 0 198.229 1.825 10 0 ADAERN C/C=C/CC(=O)OC(C)C 5132829 351338634 /nfs/dbraw/zinc/33/86/34/351338634.db2.gz VTOODJNVRSHBLI-SNAWJCMRSA-N 0 0 142.198 1.904 10 0 ADAERN Cc1nc2ccccn2c1C 5116115 351338725 /nfs/dbraw/zinc/33/87/25/351338725.db2.gz KQFIATWLSFGEPF-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN Cc1nccn1Cc1ccc(O)cc1 5116503 351339029 /nfs/dbraw/zinc/33/90/29/351339029.db2.gz UZZIPISDNVKJAG-UHFFFAOYSA-N 0 0 188.230 1.945 10 0 ADAERN CCO[C@H]1OCc2cnc(C)c(O)c21 5139844 351339523 /nfs/dbraw/zinc/33/95/23/351339523.db2.gz XLKAWBFBIIYKMX-JTQLQIEISA-N 0 0 195.218 1.661 10 0 ADAERN O=C1C2(CCC2)C(=O)C12CCC2 5133481 351339638 /nfs/dbraw/zinc/33/96/38/351339638.db2.gz VFHGYGWDEXAIAE-UHFFFAOYSA-N 0 0 164.204 1.479 10 0 ADAERN c1cc2c3c(c1)CCN3CCC2 5162151 351339651 /nfs/dbraw/zinc/33/96/51/351339651.db2.gz ODRMRGQYRJGWTH-UHFFFAOYSA-N 0 0 159.232 1.995 10 0 ADAERN c1ccc(N2CCC2)cc1 5162405 351339656 /nfs/dbraw/zinc/33/96/56/351339656.db2.gz JNWYXXQAOGBPNL-UHFFFAOYSA-N 0 0 133.194 1.897 10 0 ADAERN CCO[C@@H]1OCc2cnc(C)c(O)c21 5139851 351339969 /nfs/dbraw/zinc/33/99/69/351339969.db2.gz XLKAWBFBIIYKMX-SNVBAGLBSA-N 0 0 195.218 1.661 10 0 ADAERN OCC[C@@H]1CC=CCC1 5191200 351340367 /nfs/dbraw/zinc/34/03/67/351340367.db2.gz FELLSOCIMJMONP-MRVPVSSYSA-N 0 0 126.199 1.725 10 0 ADAERN OCC[C@H]1CC=CCC1 5191455 351340421 /nfs/dbraw/zinc/34/04/21/351340421.db2.gz FELLSOCIMJMONP-QMMMGPOBSA-N 0 0 126.199 1.725 10 0 ADAERN O=C=C(Cl)Cl 5178364 351340447 /nfs/dbraw/zinc/34/04/47/351340447.db2.gz TVWWMKZMZALOFP-UHFFFAOYSA-N 0 0 110.927 1.137 10 0 ADAERN CC(C)C1(C(C)C)OC(=O)[N-]C1=O 5359543 351341227 /nfs/dbraw/zinc/34/12/27/351341227.db2.gz MUZFHSPZXDFVCS-UHFFFAOYSA-N 0 0 185.223 1.304 10 0 ADAERN CC(C)=Cc1cccc[n+]1[O-] 5283311 351341533 /nfs/dbraw/zinc/34/15/33/351341533.db2.gz IWFKPJORLIWBTM-UHFFFAOYSA-N 0 0 149.193 1.743 10 0 ADAERN CC(C)(O)C(=O)c1ccco1 5283851 351341947 /nfs/dbraw/zinc/34/19/47/351341947.db2.gz CBEHGPAOWYUBEO-UHFFFAOYSA-N 0 0 154.165 1.233 10 0 ADAERN CCOc1ccc(O)cc1C=O 5653800 351346299 /nfs/dbraw/zinc/34/62/99/351346299.db2.gz DRLDVFDRQMUEJL-UHFFFAOYSA-N 0 0 166.176 1.603 10 0 ADAERN c1ccc2[nH]c(-c3cc[nH]n3)nc2c1 5687459 351346350 /nfs/dbraw/zinc/34/63/50/351346350.db2.gz IYTGPPNUOLLGBE-UHFFFAOYSA-N 0 0 184.202 1.953 10 0 in-vivo ADAERN c1cc2c(cc1C1OCCO1)OCO2 5844337 351347166 /nfs/dbraw/zinc/34/71/66/351347166.db2.gz VKRLFWZYZOPSHP-UHFFFAOYSA-N 0 0 194.186 1.461 10 0 ADAERN CCSc1nc(N)c2c[nH]nc2n1 5845623 351347213 /nfs/dbraw/zinc/34/72/13/351347213.db2.gz GQFOSQPCFXXWRM-UHFFFAOYSA-N 0 0 195.251 1.047 10 0 ADAERN C[C@@H]1CC(=O)[C@H](C)C1 6038045 351349182 /nfs/dbraw/zinc/34/91/82/351349182.db2.gz UKJQTRVEZWBIRE-NTSWFWBYSA-N 0 0 112.172 1.622 10 0 in-vitro ADAERN C[C@@H](O)c1ccc(O)cc1O 6037119 351349429 /nfs/dbraw/zinc/34/94/29/351349429.db2.gz DUNRSBLUMXLQPE-RXMQYKEDSA-N 0 0 154.165 1.151 10 0 ADAERN C[C@@H]1CC(=O)[C@@H](C)C1 6037927 351349469 /nfs/dbraw/zinc/34/94/69/351349469.db2.gz UKJQTRVEZWBIRE-WDSKDSINSA-N 0 0 112.172 1.622 10 0 in-vitro ADAERN O=Cn1ccc2ccccc21 6118688 351350048 /nfs/dbraw/zinc/35/00/48/351350048.db2.gz JZWXUCFEVWHNKB-UHFFFAOYSA-N 0 0 145.161 1.680 10 0 ADAERN S=c1cc[nH]c2n[nH]cc12 6238317 351350946 /nfs/dbraw/zinc/35/09/46/351350946.db2.gz UOVFYWKXSUTFHI-UHFFFAOYSA-N 0 0 151.194 1.620 10 0 ADAERN CCOc1cccc(OCC)c1CO 6357120 351351519 /nfs/dbraw/zinc/35/15/19/351351519.db2.gz PSMRNOMLVFGPQS-UHFFFAOYSA-N 0 0 196.246 1.976 10 0 ADAERN Cc1cc(CO)sc1C 6857781 351353425 /nfs/dbraw/zinc/35/34/25/351353425.db2.gz QVQQDTLDPWZYEZ-UHFFFAOYSA-N 0 0 142.223 1.857 10 0 ADAERN C[C@@H]1CNc2ccccc2S1(=O)=O 6751658 351353502 /nfs/dbraw/zinc/35/35/02/351353502.db2.gz HCSAUZFWOPNCMW-SSDOTTSWSA-N 0 0 197.259 1.274 10 0 ADAERN c1nc2c(ccc3nocc32)o1 6829237 351353747 /nfs/dbraw/zinc/35/37/47/351353747.db2.gz MBNDTUXNJCGCJZ-UHFFFAOYSA-N 0 0 160.132 1.969 10 0 ADAERN c1cc2c(cc1C1=NCCC1)OCO2 6744793 351354022 /nfs/dbraw/zinc/35/40/22/351354022.db2.gz RPRANYVNLYWRGO-UHFFFAOYSA-N 0 0 189.214 1.998 10 0 ADAERN O=c1cc(Oc2ccccc2)nc[nH]1 6666144 351354242 /nfs/dbraw/zinc/35/42/42/351354242.db2.gz KSVPUCCLIWWWTB-UHFFFAOYSA-N 0 0 188.186 1.562 10 0 ADAERN c1coc(NCC2CC2)n1 8699323 351357194 /nfs/dbraw/zinc/35/71/94/351357194.db2.gz RKJWUHQSLCIYSE-UHFFFAOYSA-N 0 0 138.170 1.497 10 0 ADAERN CC(C)C[NH2+][C@H]1CCCC[C@H]1C(=O)[O-] 8698800 351357251 /nfs/dbraw/zinc/35/72/51/351357251.db2.gz XAQQEMOKEMUQHL-ZJUUUORDSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)C[NH2+][C@@H]1CCCC[C@H]1C(=O)[O-] 8698799 351357505 /nfs/dbraw/zinc/35/75/05/351357505.db2.gz XAQQEMOKEMUQHL-NXEZZACHSA-N 0 0 199.294 1.875 10 0 ADAERN CC(C)C[NH2+][C@H]1CCCC[C@@H]1C(=O)[O-] 8698798 351357572 /nfs/dbraw/zinc/35/75/72/351357572.db2.gz XAQQEMOKEMUQHL-UWVGGRQHSA-N 0 0 199.294 1.875 10 0 ADAERN OCCc1cn2cc(Cl)ccc2n1 9238534 351358476 /nfs/dbraw/zinc/35/84/76/351358476.db2.gz UWSXZQNABNMLSM-UHFFFAOYSA-N 0 0 196.637 1.523 10 0 ADAERN Cc1cccc2ncn(C)c12 9192471 351358522 /nfs/dbraw/zinc/35/85/22/351358522.db2.gz SOKQROSLNCMNNP-UHFFFAOYSA-N 0 0 146.193 1.882 10 0 ADAERN C[C@@H](c1ccccc1)N1C[C@@H]1CO 8895811 351358784 /nfs/dbraw/zinc/35/87/84/351358784.db2.gz BMEHDCBKAUDFBH-WKAHHKJFSA-N 0 0 177.247 1.424 10 0 ADAERN CC(C)CC(=O)NCCc1c[nH]cn1 11638563 351360674 /nfs/dbraw/zinc/36/06/74/351360674.db2.gz IYVCRLBHSDTDKL-UHFFFAOYSA-N 0 0 195.266 1.115 10 0 in-vitro ADAERN C[C@@H]1CCC[N@H+](CC(C)(C)C(=O)[O-])C1 11883913 351360724 /nfs/dbraw/zinc/36/07/24/351360724.db2.gz DLORFOMHVDBJTD-SECBINFHSA-N 0 0 199.294 1.829 10 0 ADAERN C[C@@H]1CCCC[N@@H+]1CC(C)(C)C(=O)[O-] 11799534 351360976 /nfs/dbraw/zinc/36/09/76/351360976.db2.gz FBRTUAOXFXEUDH-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CCCCC(=O)NCCc1c[nH]cn1 11638479 351361216 /nfs/dbraw/zinc/36/12/16/351361216.db2.gz VABGFVQAZJGMHD-UHFFFAOYSA-N 0 0 195.266 1.259 10 0 ADAERN OC[C@@H]1CCN(c2cccc(F)c2)C1 11893021 351361814 /nfs/dbraw/zinc/36/18/14/351361814.db2.gz OFJRWDMMXREVNN-SECBINFHSA-N 0 0 195.237 1.644 10 0 ADAERN OC[C@H]1CCN(c2cccc(F)c2)C1 11893025 351361974 /nfs/dbraw/zinc/36/19/74/351361974.db2.gz OFJRWDMMXREVNN-VIFPVBQESA-N 0 0 195.237 1.644 10 0 ADAERN OC[C@H]1CNc2ccc(Cl)cc2C1 11984957 351362831 /nfs/dbraw/zinc/36/28/31/351362831.db2.gz HGZOCPAVWMJJFT-SSDOTTSWSA-N 0 0 197.665 1.917 10 0 ADAERN OC[C@@H]1CNc2ccc(Cl)cc2C1 11984954 351363049 /nfs/dbraw/zinc/36/30/49/351363049.db2.gz HGZOCPAVWMJJFT-ZETCQYMHSA-N 0 0 197.665 1.917 10 0 ADAERN C[C@@H]1c2cnccc2C[C@@H]1O 12153444 351363193 /nfs/dbraw/zinc/36/31/93/351363193.db2.gz IOIGOIPHPUCFOB-MUWHJKNJSA-N 0 0 149.193 1.102 10 0 endogenous,in-man ADAERN CC(=O)c1c[nH]c(Cl)n1 12647654 351366074 /nfs/dbraw/zinc/36/60/74/351366074.db2.gz QJSJFRUXSDFTIC-UHFFFAOYSA-N 0 0 144.561 1.266 10 0 ADAERN O=c1[nH]cnc(O)c1C1CCCC1 12654416 351366246 /nfs/dbraw/zinc/36/62/46/351366246.db2.gz PCAIYUACQNXEJA-UHFFFAOYSA-N 0 0 180.207 1.133 10 0 ADAERN c1cc2c3c(c1)ncn3CCC2 13281467 351367165 /nfs/dbraw/zinc/36/71/65/351367165.db2.gz LFZCNPNMQPPMRK-UHFFFAOYSA-N 0 0 158.204 1.983 10 0 ADAERN c1ccc2c(c1)nc1n2CNC1 13219317 351367336 /nfs/dbraw/zinc/36/73/36/351367336.db2.gz LLPGMVUUHGKXBJ-UHFFFAOYSA-N 0 0 159.192 1.097 10 0 ADAERN C[C@H]1CC(=O)c2c(O)cccc2O1 13461576 351368431 /nfs/dbraw/zinc/36/84/31/351368431.db2.gz WHEIRCBYUYIIMR-LURJTMIESA-N 0 0 178.187 1.746 10 0 biogenic ADAERN C[C@@H]1CC(=O)c2ccncc21 13404994 351368460 /nfs/dbraw/zinc/36/84/60/351368460.db2.gz FPGXBNAQBBCGLH-ZCFIWIBFSA-N 0 0 147.177 1.772 10 0 biogenic,in-vitro ADAERN C[C@H]1C[C@@H](O)c2ccncc21 13404990 351368624 /nfs/dbraw/zinc/36/86/24/351368624.db2.gz PAULFLQQVQANMT-IMTBSYHQSA-N 0 0 149.193 1.622 10 0 ADAERN O=c1[nH]ccnc1Cc1ccccc1 13376444 351368728 /nfs/dbraw/zinc/36/87/28/351368728.db2.gz QDRCDZXQXLCJTD-UHFFFAOYSA-N 0 0 186.214 1.361 10 0 ADAERN C[C@@H]1CC(=O)c2c(O)cccc2O1 13461574 351368796 /nfs/dbraw/zinc/36/87/96/351368796.db2.gz WHEIRCBYUYIIMR-ZCFIWIBFSA-N 0 0 178.187 1.746 10 0 biogenic ADAERN C[C@@H]1C[C@@H](O)c2ccncc21 13404986 351368991 /nfs/dbraw/zinc/36/89/91/351368991.db2.gz PAULFLQQVQANMT-HZGVNTEJSA-N 0 0 149.193 1.622 10 0 ADAERN S=c1[nH]cnc2c1CN=N2 13518512 351369610 /nfs/dbraw/zinc/36/96/10/351369610.db2.gz WNNLHYRSLRVWTQ-UHFFFAOYSA-N 0 0 152.182 1.736 10 0 ADAERN C[C@@H]1Cc2ccccc2[C@@H]1O 13509140 351370112 /nfs/dbraw/zinc/37/01/12/351370112.db2.gz WLDINFWSUHFASR-GMSGAONNSA-N 0 0 148.205 1.912 10 0 ADAERN CC(C)C[C@@H](CC(=O)[O-])[C@@H](C)[NH3+] 13641448 351370873 /nfs/dbraw/zinc/37/08/73/351370873.db2.gz IRQCKMBXGOKUDW-SFYZADRCSA-N 0 0 173.256 1.471 10 0 ADAERN c1cnc(-c2cccnc2)nc1 13607110 351371062 /nfs/dbraw/zinc/37/10/62/351371062.db2.gz DYEAIDZAOQKZJM-UHFFFAOYSA-N 0 0 157.176 1.539 10 0 ADAERN CC(C)C[C@@H](CC[NH3+])C(=O)[O-] 13641430 351371167 /nfs/dbraw/zinc/37/11/67/351371167.db2.gz QWTGKOHWIXLFFV-SSDOTTSWSA-N 0 0 159.229 1.082 10 0 ADAERN Cc1cc([C@@H]2CCCN2C)no1 13739965 351371298 /nfs/dbraw/zinc/37/12/98/351371298.db2.gz ZATAMMXVQZLNFN-VIFPVBQESA-N 0 0 166.224 1.750 10 0 ADAERN c1csc(NCCc2c[nH]cn2)n1 13743048 351371442 /nfs/dbraw/zinc/37/14/42/351371442.db2.gz VWSLDINBSHGBKX-UHFFFAOYSA-N 0 0 194.263 1.521 10 0 ADAERN CC1=C(C)[C@@H](Cc2c[nH]c(=O)[nH]2)CC1 13975201 351372338 /nfs/dbraw/zinc/37/23/38/351372338.db2.gz CTNNXIMJMTZSQS-SECBINFHSA-N 0 0 192.262 1.992 10 0 ADAERN CCCN(C=O)C1CCCC1 13779484 351372208 /nfs/dbraw/zinc/37/22/08/351372208.db2.gz QZOXUNZOGUCKHW-UHFFFAOYSA-N 0 0 155.241 1.797 10 0 ADAERN C[C@@H]1CCCC[C@@]1(C[NH3+])CC(=O)[O-] 13779556 351372258 /nfs/dbraw/zinc/37/22/58/351372258.db2.gz VRSDDSCAGYMHDB-SCZZXKLOSA-N 0 0 185.267 1.616 10 0 ADAERN C[C@@H]1CCCC[C@]1(C[NH3+])CC(=O)[O-] 13779558 351372557 /nfs/dbraw/zinc/37/25/57/351372557.db2.gz VRSDDSCAGYMHDB-PSASIEDQSA-N 0 0 185.267 1.616 10 0 ADAERN OCc1cc2ccnc(Cl)c2[nH]1 14211024 351372571 /nfs/dbraw/zinc/37/25/71/351372571.db2.gz AJCLOBGXYVRMNW-UHFFFAOYSA-N 0 0 182.610 1.709 10 0 ADAERN CC[C@]1(C(C)C)CCNC1=O 13755869 351372626 /nfs/dbraw/zinc/37/26/26/351372626.db2.gz NFFVWPBBTGYZTI-SECBINFHSA-N 0 0 155.241 1.559 10 0 ADAERN C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 13939387 351372687 /nfs/dbraw/zinc/37/26/87/351372687.db2.gz DDEWBVWAXUKTOC-SFYZADRCSA-N 0 0 191.296 1.114 10 0 ADAERN S=C(NC1CCCC1)N1CCCC1 13825775 351372811 /nfs/dbraw/zinc/37/28/11/351372811.db2.gz DZZVLCWVZAEIAX-UHFFFAOYSA-N 0 0 198.335 1.899 10 0 ADAERN O=c1ccc2c(O)cccc2o1 14443521 351373458 /nfs/dbraw/zinc/37/34/58/351373458.db2.gz CDHSCTCRBLLCBJ-UHFFFAOYSA-N 0 0 162.144 1.499 10 0 biogenic,in-vitro ADAERN CC(C)[C@H]1CC[C@H](CO)C[C@@H]1O 14588479 351373476 /nfs/dbraw/zinc/37/34/76/351373476.db2.gz SYKFBYLBABZJJQ-AEJSXWLSSA-N 0 0 172.268 1.412 10 0 ADAERN C[C@H]1CC[C@@H](C(C)(C)O)C(=O)C1 14487956 351373515 /nfs/dbraw/zinc/37/35/15/351373515.db2.gz QNZZGEDTDYWNFN-JGVFFNPUSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H]1CC[C@@H](C(C)(C)O)C(=O)C1 14487954 351373613 /nfs/dbraw/zinc/37/36/13/351373613.db2.gz QNZZGEDTDYWNFN-HTQZYQBOSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](C)[C@@H](O)[C@@H]1O 14588468 351373664 /nfs/dbraw/zinc/37/36/64/351373664.db2.gz WQFGPARDTSBVLU-UTINFBMNSA-N 0 0 172.268 1.410 10 0 endogenous,in-man ADAERN C[C@@H]1CC[C@H](C(C)(C)O)C(=O)C1 14487958 351373693 /nfs/dbraw/zinc/37/36/93/351373693.db2.gz QNZZGEDTDYWNFN-SFYZADRCSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)[C@@H]1CC[C@@H](CO)C[C@@H]1O 14588476 351373748 /nfs/dbraw/zinc/37/37/48/351373748.db2.gz SYKFBYLBABZJJQ-UTLUCORTSA-N 0 0 172.268 1.412 10 0 ADAERN COc1cccc(C=O)c1CO 14455097 351373762 /nfs/dbraw/zinc/37/37/62/351373762.db2.gz HWQPMOIAGCFYGY-UHFFFAOYSA-N 0 0 166.176 1.000 10 0 ADAERN CC(=O)[C@@H](O)Cc1ccccc1 14503322 351373822 /nfs/dbraw/zinc/37/38/22/351373822.db2.gz QBCUUJGHWFKMDC-JTQLQIEISA-N 0 0 164.204 1.179 10 0 endogenous,in-man ADAERN C[C@@H]1CCCCC(=O)O1 14454593 351373978 /nfs/dbraw/zinc/37/39/78/351373978.db2.gz WZRNGGFHDMOCEA-ZCFIWIBFSA-N 0 0 128.171 1.492 10 0 ADAERN C[C@H]1CC[C@H](C(C)(C)O)C(=O)C1 14487960 351374080 /nfs/dbraw/zinc/37/40/80/351374080.db2.gz QNZZGEDTDYWNFN-YUMQZZPRSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)CCc1cc(O)cc(=O)o1 14489303 351374098 /nfs/dbraw/zinc/37/40/98/351374098.db2.gz XBJDHJQNQRRFFL-UHFFFAOYSA-N 0 0 182.219 1.934 10 0 ADAERN C[C@@H]1OCc2cc(O)ccc2O1 14590495 351374386 /nfs/dbraw/zinc/37/43/86/351374386.db2.gz CLGRECOAUFWBDF-ZCFIWIBFSA-N 0 0 166.176 1.647 10 0 ADAERN O=C(Cc1ccccc1)NCl 14651326 351374520 /nfs/dbraw/zinc/37/45/20/351374520.db2.gz YLAIUOADIPJFOS-UHFFFAOYSA-N 0 0 169.611 1.499 10 0 ADAERN C[C@H]1OCc2cc(O)ccc2O1 14590496 351375221 /nfs/dbraw/zinc/37/52/21/351375221.db2.gz CLGRECOAUFWBDF-LURJTMIESA-N 0 0 166.176 1.647 10 0 ADAERN CC[C@H](O)c1cc(OC)cc(=O)o1 14828570 351375581 /nfs/dbraw/zinc/37/55/81/351375581.db2.gz FCFBQZNOJAXLQI-ZETCQYMHSA-N 0 0 184.191 1.092 10 0 ADAERN O=Cc1[nH]nc2c(F)cc(F)cc12 14985758 351376562 /nfs/dbraw/zinc/37/65/62/351376562.db2.gz UZSMNGUKMRMNAY-UHFFFAOYSA-N 0 0 182.129 1.654 10 0 in-vitro ADAERN CC(C)CN1C(=O)CSC1=O 15014965 351376749 /nfs/dbraw/zinc/37/67/49/351376749.db2.gz DSQOSKXWKNJLIB-UHFFFAOYSA-N 0 0 173.237 1.338 10 0 ADAERN O=Cc1[nH]nc2cc(O)ccc12 14984583 351376974 /nfs/dbraw/zinc/37/69/74/351376974.db2.gz ACANHGBHLHLLLX-UHFFFAOYSA-N 0 0 162.148 1.081 10 0 ADAERN O=Cc1n[nH]c2cc(O)cc(Cl)c12 14984198 351376986 /nfs/dbraw/zinc/37/69/86/351376986.db2.gz ZSTBEXHBRJXVFJ-UHFFFAOYSA-N 0 0 196.593 1.734 10 0 ADAERN CCc1cncc(C(=O)OC)c1C 15205309 351377831 /nfs/dbraw/zinc/37/78/31/351377831.db2.gz PIRNZOVZJAMJNC-UHFFFAOYSA-N 0 0 179.219 1.739 10 0 ADAERN CCOC(=O)c1ccc(O)cc1OC 15446165 351378657 /nfs/dbraw/zinc/37/86/57/351378657.db2.gz KFUFFKUEDRKQTR-UHFFFAOYSA-N 0 0 196.202 1.578 10 0 ADAERN C[C@]1(Cl)CCCC[C@@H]1O 16921580 351379760 /nfs/dbraw/zinc/37/97/60/351379760.db2.gz AJVAIMFJJKFUFW-BQBZGAKWSA-N 0 0 148.633 1.919 10 0 ADAERN C[C@]1(Cl)CCCC[C@H]1O 16921592 351379905 /nfs/dbraw/zinc/37/99/05/351379905.db2.gz AJVAIMFJJKFUFW-RQJHMYQMSA-N 0 0 148.633 1.919 10 0 ADAERN CC(C)(O)C(=O)c1ccc(F)cc1 16697939 351380301 /nfs/dbraw/zinc/38/03/01/351380301.db2.gz OVWRKPYFZSBAHS-UHFFFAOYSA-N 0 0 182.194 1.779 10 0 ADAERN C[C@@]1(Cl)CCCC[C@H]1O 16921585 351380406 /nfs/dbraw/zinc/38/04/06/351380406.db2.gz AJVAIMFJJKFUFW-RNFRBKRXSA-N 0 0 148.633 1.919 10 0 ADAERN S=c1[nH]cnc2cc[nH]c12 17377540 351382234 /nfs/dbraw/zinc/38/22/34/351382234.db2.gz LAZBEOOWQRTIMO-UHFFFAOYSA-N 0 0 151.194 1.620 10 0 ADAERN O[C@H]1CC[C@@H]2CCC[C@@H]2C1 17149014 351382602 /nfs/dbraw/zinc/38/26/02/351382602.db2.gz IGRYUSXMPCQPHK-YIZRAAEISA-N 0 0 140.226 1.948 10 0 ADAERN O[C@H]1CC[C@H]2CCC[C@@H]2C1 17149017 351383042 /nfs/dbraw/zinc/38/30/42/351383042.db2.gz IGRYUSXMPCQPHK-HLTSFMKQSA-N 0 0 140.226 1.948 10 0 ADAERN O[C@H](c1ccccc1)[C@@H]1CO1 17788281 351383622 /nfs/dbraw/zinc/38/36/22/351383622.db2.gz QHUCJYPNJYZEOQ-DTWKUNHWSA-N 0 0 150.177 1.119 10 0 ADAERN O[C@@H](c1ccccc1)[C@H]1CO1 17788290 351383727 /nfs/dbraw/zinc/38/37/27/351383727.db2.gz QHUCJYPNJYZEOQ-BDAKNGLRSA-N 0 0 150.177 1.119 10 0 ADAERN O=Cc1cnccc1C1CC1 17939996 351384140 /nfs/dbraw/zinc/38/41/40/351384140.db2.gz ILEFMCSYGZMFLP-UHFFFAOYSA-N 0 0 147.177 1.772 10 0 ADAERN S=c1[nH]c(=S)c2c[nH]nc2[nH]1 18177322 351384671 /nfs/dbraw/zinc/38/46/71/351384671.db2.gz AXTGUDOELRNMOD-UHFFFAOYSA-N 0 0 184.249 1.304 10 0 ADAERN O=c1ccc2ccoc2[nH]1 18544499 351385099 /nfs/dbraw/zinc/38/50/99/351385099.db2.gz CWQZFVGNTCAASR-UHFFFAOYSA-N 0 0 135.122 1.121 10 0 ADAERN Oc1ccc2oncc2c1 18551377 351385232 /nfs/dbraw/zinc/38/52/32/351385232.db2.gz SZLDGOXCELBEBV-UHFFFAOYSA-N 0 0 135.122 1.533 10 0 ADAERN C[C@@H]1CCn2ccnc2C1 18558579 351385670 /nfs/dbraw/zinc/38/56/70/351385670.db2.gz GBYRDZITMISMEX-SSDOTTSWSA-N 0 0 136.198 1.465 10 0 ADAERN O=c1cccc(C2CC2)[nH]1 18887638 351386743 /nfs/dbraw/zinc/38/67/43/351386743.db2.gz WPSRTWZHBZYFRB-UHFFFAOYSA-N 0 0 135.166 1.252 10 0 ADAERN Oc1cncc(C2CC2)c1 18899187 351386780 /nfs/dbraw/zinc/38/67/80/351386780.db2.gz WMZKEKVRZYIBDX-UHFFFAOYSA-N 0 0 135.166 1.665 10 0 ADAERN C[C@@H]1CC[C@@H](C)N1N1CCOCC1 19167392 351387809 /nfs/dbraw/zinc/38/78/09/351387809.db2.gz CTJBMSQWZVPIBG-NXEZZACHSA-N 0 0 184.283 1.106 10 0 ADAERN OCCOc1ccc2c(c1)CCC2 19786117 351395190 /nfs/dbraw/zinc/39/51/90/351395190.db2.gz BWKNAPUUBOVRBW-UHFFFAOYSA-N 0 0 178.231 1.546 10 0 ADAERN OCCOc1ccc(F)c(F)c1 19786125 351395288 /nfs/dbraw/zinc/39/52/88/351395288.db2.gz AEFHUHARYNZQOY-UHFFFAOYSA-N 0 0 174.146 1.336 10 0 ADAERN CCSc1ccc(N)nc1 19869646 351396952 /nfs/dbraw/zinc/39/69/52/351396952.db2.gz CRLLBABPMFCSSO-UHFFFAOYSA-N 0 0 154.238 1.776 10 0 ADAERN CC[C@@H](C)[C@H](N)c1nc(C)no1 20019224 351398968 /nfs/dbraw/zinc/39/89/68/351398968.db2.gz IBTFMUYKBNADIJ-VDTYLAMSSA-N 0 0 169.228 1.424 10 0 ADAERN CC[C@@H](C)[C@@H](N)c1nc(C)no1 20019216 351399013 /nfs/dbraw/zinc/39/90/13/351399013.db2.gz IBTFMUYKBNADIJ-IYSWYEEDSA-N 0 0 169.228 1.424 10 0 ADAERN Oc1ccc(-c2ncon2)cc1 20082935 351399720 /nfs/dbraw/zinc/39/97/20/351399720.db2.gz LXNCRCJDXBZXER-UHFFFAOYSA-N 0 0 162.148 1.442 10 0 ADAERN CCOc1cc(C)c(OCC)nn1 20096294 351401442 /nfs/dbraw/zinc/40/14/42/351401442.db2.gz FUOPWORHBGTZEJ-UHFFFAOYSA-N 0 0 182.223 1.582 10 0 ADAERN CC(C)C(=O)c1ncccn1 37464317 351468055 /nfs/dbraw/zinc/46/80/55/351468055.db2.gz CNWNCLVORIVEAY-UHFFFAOYSA-N 0 0 150.181 1.315 10 0 ADAERN O=Cc1cc(-c2cccs2)[nH]n1 20270478 351403020 /nfs/dbraw/zinc/40/30/20/351403020.db2.gz NLPGIQVRYQIJKO-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN OCc1ccccc1Cn1cccn1 20412680 351404455 /nfs/dbraw/zinc/40/44/55/351404455.db2.gz FMALDEYARRGADO-UHFFFAOYSA-N 0 0 188.230 1.424 10 0 ADAERN Cc1nc2cc(F)ccn2c1C=O 20446600 351406415 /nfs/dbraw/zinc/40/64/15/351406415.db2.gz BPENRZCWRYNPSG-UHFFFAOYSA-N 0 0 178.166 1.594 10 0 ADAERN S=c1[nH]ccn1Cc1cccnc1 20581354 351406106 /nfs/dbraw/zinc/40/61/06/351406106.db2.gz KFBJALSWBGJZGM-UHFFFAOYSA-N 0 0 191.259 1.989 10 0 ADAERN S=c1[nH]ccn1Cc1ccncc1 20581357 351406481 /nfs/dbraw/zinc/40/64/81/351406481.db2.gz DKWUDHGPWNSMCS-UHFFFAOYSA-N 0 0 191.259 1.989 10 0 ADAERN O[C@H]1CC=Cc2ncccc21 20983226 351407029 /nfs/dbraw/zinc/40/70/29/351407029.db2.gz AGKPPDZXRVKTLO-VIFPVBQESA-N 0 0 147.177 1.532 10 0 ADAERN C[C@@H]1CCCc2ncncc21 20972219 351406996 /nfs/dbraw/zinc/40/69/96/351406996.db2.gz PHOWVVXYAVZXHX-SSDOTTSWSA-N 0 0 148.209 1.916 10 0 ADAERN C[C@@H]1N=CNc2cnccc21 20978954 351407076 /nfs/dbraw/zinc/40/70/76/351407076.db2.gz INUIOPZGTCXYLI-LURJTMIESA-N 0 0 147.181 1.406 10 0 ADAERN CCSc1ccc(N)nn1 21300763 351407539 /nfs/dbraw/zinc/40/75/39/351407539.db2.gz KQOKIRODXNMOMV-UHFFFAOYSA-N 0 0 155.226 1.171 10 0 ADAERN C[C@@H]1NN=Cc2cnccc21 20983082 351407699 /nfs/dbraw/zinc/40/76/99/351407699.db2.gz PUCQEGANVPRNCA-LURJTMIESA-N 0 0 147.181 1.080 10 0 ADAERN OCc1cncc2[nH]ccc12 21019998 351407842 /nfs/dbraw/zinc/40/78/42/351407842.db2.gz KSNYCVDTCVBBAT-UHFFFAOYSA-N 0 0 148.165 1.055 10 0 ADAERN C[C@@H]1NN=Cc2ccncc21 20983094 351407928 /nfs/dbraw/zinc/40/79/28/351407928.db2.gz SFZHUJWQGDQLEG-LURJTMIESA-N 0 0 147.181 1.080 10 0 ADAERN CC(C)C[C@@]1(C)CNC(=O)C1 21988621 351409833 /nfs/dbraw/zinc/40/98/33/351409833.db2.gz TUTCLYBACDAHHF-SECBINFHSA-N 0 0 155.241 1.559 10 0 ADAERN O[C@@H]1C=C(Br)CC1 21994686 351409910 /nfs/dbraw/zinc/40/99/10/351409910.db2.gz GGHCCUASGPOKOK-YFKPBYRVSA-N 0 0 163.014 1.420 10 0 ADAERN O[C@H]1C=C(Br)CC1 21994683 351410017 /nfs/dbraw/zinc/41/00/17/351410017.db2.gz GGHCCUASGPOKOK-RXMQYKEDSA-N 0 0 163.014 1.420 10 0 ADAERN CC(C)C[C@]1(C)CNC(=O)C1 21988623 351410156 /nfs/dbraw/zinc/41/01/56/351410156.db2.gz TUTCLYBACDAHHF-VIFPVBQESA-N 0 0 155.241 1.559 10 0 ADAERN O=c1ccc(Cl)co1 21989740 351410165 /nfs/dbraw/zinc/41/01/65/351410165.db2.gz VJTLPUOIBRMNAR-UHFFFAOYSA-N 0 0 130.530 1.293 10 0 ADAERN CC(C)C[C@H]1CC(=O)N[C@H]1C 21988641 351410277 /nfs/dbraw/zinc/41/02/77/351410277.db2.gz CQHOYQCZNAGNFO-YUMQZZPRSA-N 0 0 155.241 1.557 10 0 ADAERN O[C@@H]1CCCCS1 22060980 351411152 /nfs/dbraw/zinc/41/11/52/351411152.db2.gz LYNLMSYCBSCQEF-YFKPBYRVSA-N 0 0 118.201 1.222 10 0 in-vitro ADAERN O[C@H]1CCCCS1 22060983 351411451 /nfs/dbraw/zinc/41/14/51/351411451.db2.gz LYNLMSYCBSCQEF-RXMQYKEDSA-N 0 0 118.201 1.222 10 0 in-vitro ADAERN C[C@@H]1Nc2ccccc2C[C@H]1C(N)=O 22164329 351411907 /nfs/dbraw/zinc/41/19/07/351411907.db2.gz BCELZDYZIBXWEN-IONNQARKSA-N 0 0 190.246 1.145 10 0 ADAERN OC1CCC(Nc2cnccn2)CC1 22151751 351412252 /nfs/dbraw/zinc/41/22/52/351412252.db2.gz GNZAYWUVFODBKK-UHFFFAOYSA-N 0 0 193.250 1.192 10 0 ADAERN C[C@@H]1Nc2ccccc2C[C@@H]1C(N)=O 22164321 351412513 /nfs/dbraw/zinc/41/25/13/351412513.db2.gz BCELZDYZIBXWEN-CBAPKCEASA-N 0 0 190.246 1.145 10 0 ADAERN C[C@@H]1CCC[C@@H](C)N1C(N)=O 22165948 351412651 /nfs/dbraw/zinc/41/26/51/351412651.db2.gz DEOJRJKNSVFSLX-RNFRBKRXSA-N 0 0 156.229 1.328 10 0 ADAERN c1ncc2c(n1)NCCCC2 23664571 351414284 /nfs/dbraw/zinc/41/42/84/351414284.db2.gz LFYHDXMQYUAWJJ-UHFFFAOYSA-N 0 0 149.197 1.225 10 0 ADAERN c1ccc(N2CCC2)nc1 23894530 351415557 /nfs/dbraw/zinc/41/55/57/351415557.db2.gz BXDFRTXDYDCALN-UHFFFAOYSA-N 0 0 134.182 1.292 10 0 ADAERN c1cnc2cncnc2c1 24190947 351415579 /nfs/dbraw/zinc/41/55/79/351415579.db2.gz BWESROVQGZSBRX-UHFFFAOYSA-N 0 0 131.138 1.025 10 0 ADAERN c1ncc2c(n1)CCCCC2 23671073 351415736 /nfs/dbraw/zinc/41/57/36/351415736.db2.gz WYANEPDSNWAVNE-UHFFFAOYSA-N 0 0 148.209 1.746 10 0 ADAERN C[C@@H]1CCCCCN1C=O 23701508 351415959 /nfs/dbraw/zinc/41/59/59/351415959.db2.gz NUYKVBNOQISCNF-MRVPVSSYSA-N 0 0 141.214 1.407 10 0 ADAERN C[C@@H]1CCC[C@]1(O)C1CC1 23798238 351416169 /nfs/dbraw/zinc/41/61/69/351416169.db2.gz OLKDLZVVVKCNLT-VXNVDRBHSA-N 0 0 140.226 1.948 10 0 ADAERN C[C@@H]1CCC[C@@]1(O)C1CC1 23798234 351416205 /nfs/dbraw/zinc/41/62/05/351416205.db2.gz OLKDLZVVVKCNLT-APPZFPTMSA-N 0 0 140.226 1.948 10 0 ADAERN O=Cc1ccc2ccncn12 24551246 351417023 /nfs/dbraw/zinc/41/70/23/351417023.db2.gz YNPIBFCBPPCFBZ-UHFFFAOYSA-N 0 0 146.149 1.147 10 0 ADAERN O=Cn1cnc2ccccc21 24410016 351417249 /nfs/dbraw/zinc/41/72/49/351417249.db2.gz OVLBRKILZDEOMU-UHFFFAOYSA-N 0 0 146.149 1.075 10 0 ADAERN O=Cc1coc2cnncc12 24429389 351417311 /nfs/dbraw/zinc/41/73/11/351417311.db2.gz ICQSLDCXWQNJMM-UHFFFAOYSA-N 0 0 148.121 1.035 10 0 ADAERN O=Cc1ncn2c1CCCC2 24721717 351417317 /nfs/dbraw/zinc/41/73/17/351417317.db2.gz XUCXGMICNHEJKV-UHFFFAOYSA-N 0 0 150.181 1.032 10 0 ADAERN Oc1cncc2c1CCCC2 24624377 351417455 /nfs/dbraw/zinc/41/74/55/351417455.db2.gz HQCCSWKNMNDGJR-UHFFFAOYSA-N 0 0 149.193 1.666 10 0 ADAERN O=Cn1ccc2cccnc21 24409924 351417510 /nfs/dbraw/zinc/41/75/10/351417510.db2.gz ZPMXNZBMNYCFHC-UHFFFAOYSA-N 0 0 146.149 1.075 10 0 ADAERN C[C@@H]1OCc2ccncc21 25921240 351418280 /nfs/dbraw/zinc/41/82/80/351418280.db2.gz RVMWPAFOLDUOTH-LURJTMIESA-N 0 0 135.166 1.673 10 0 ADAERN c1ccc2c(c1)CNCN2 25971378 351418354 /nfs/dbraw/zinc/41/83/54/351418354.db2.gz PKORYTIUMAOPED-UHFFFAOYSA-N 0 0 134.182 1.159 10 0 ADAERN c1ccn(-c2ncc[nH]2)c1 26169992 351418384 /nfs/dbraw/zinc/41/83/84/351418384.db2.gz DZKKLSBFBABFKQ-UHFFFAOYSA-N 0 0 133.154 1.200 10 0 ADAERN C[C@@H]1COc2cccnc21 25922568 351418428 /nfs/dbraw/zinc/41/84/28/351418428.db2.gz IPDODUCNWXCCCA-ZCFIWIBFSA-N 0 0 135.166 1.578 10 0 ADAERN O[C@H]1CNc2ccccc21 25921424 351418457 /nfs/dbraw/zinc/41/84/57/351418457.db2.gz PXHUCPJKTHEEPU-QMMMGPOBSA-N 0 0 135.166 1.146 10 0 ADAERN O=Cc1noc2ccccc12 24781670 351418486 /nfs/dbraw/zinc/41/84/86/351418486.db2.gz BCFOTUOMXLELAR-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN O[C@@H]1CNc2ccccc21 25921418 351418497 /nfs/dbraw/zinc/41/84/97/351418497.db2.gz PXHUCPJKTHEEPU-MRVPVSSYSA-N 0 0 135.166 1.146 10 0 ADAERN Oc1cccnc1-c1ccncc1 26279229 351418544 /nfs/dbraw/zinc/41/85/44/351418544.db2.gz HVQAGTOYIIZBNP-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN CC[C@@H](C)Oc1cccnc1N 26515670 351419206 /nfs/dbraw/zinc/41/92/06/351419206.db2.gz XDUJYJRXTBZDIY-SSDOTTSWSA-N 0 0 166.224 1.841 10 0 ADAERN CC(C)CNc1ncncc1N 26475064 351419372 /nfs/dbraw/zinc/41/93/72/351419372.db2.gz HTLUVTASMOUBDF-UHFFFAOYSA-N 0 0 166.228 1.127 10 0 ADAERN OCc1cc(-c2ccncc2)on1 26547741 351419424 /nfs/dbraw/zinc/41/94/24/351419424.db2.gz WUUHCSXYZOJEDB-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN CC(C)CCn1ccnc1C=O 26473996 351419609 /nfs/dbraw/zinc/41/96/09/351419609.db2.gz MFVYHJSDYNFBPK-UHFFFAOYSA-N 0 0 166.224 1.742 10 0 ADAERN CC(C)CCn1ccnc1CO 26473948 351419655 /nfs/dbraw/zinc/41/96/55/351419655.db2.gz NKCHEZYJDGNZMY-UHFFFAOYSA-N 0 0 168.240 1.422 10 0 ADAERN OCc1cc(-c2ccccn2)on1 26547735 351419661 /nfs/dbraw/zinc/41/96/61/351419661.db2.gz CCIDRWOYZRKAPP-UHFFFAOYSA-N 0 0 176.175 1.229 10 0 ADAERN O=Cc1cnc([C@@H]2CCCO2)nc1 26505682 351419703 /nfs/dbraw/zinc/41/97/03/351419703.db2.gz CQTUDSDFKKVXQY-QMMMGPOBSA-N 0 0 178.191 1.141 10 0 ADAERN S=c1[nH]ccn1CC1CC1 26515494 351419800 /nfs/dbraw/zinc/41/98/00/351419800.db2.gz FTHKDSYPAGYQIN-UHFFFAOYSA-N 0 0 154.238 1.956 10 0 ADAERN CC[C@@H](C)c1n[nH]c(=S)n1N 26515824 351419831 /nfs/dbraw/zinc/41/98/31/351419831.db2.gz WNLNWGJUXJYMBC-SCSAIBSYSA-N 0 0 172.257 1.168 10 0 ADAERN OCCCc1nc2cc(F)ccc2[nH]1 26462060 351419898 /nfs/dbraw/zinc/41/98/98/351419898.db2.gz QQJQBIPGRQBFDK-UHFFFAOYSA-N 0 0 194.209 1.627 10 0 ADAERN O[C@H]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 26893977 351420426 /nfs/dbraw/zinc/42/04/26/351420426.db2.gz OIXGILBUABDWRY-KYXWUPHJSA-N 0 0 170.252 1.308 10 0 ADAERN O[C@H]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 26893984 351421186 /nfs/dbraw/zinc/42/11/86/351421186.db2.gz OIXGILBUABDWRY-JXUBOQSCSA-N 0 0 170.252 1.308 10 0 ADAERN O[C@H]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 26893982 351420741 /nfs/dbraw/zinc/42/07/41/351420741.db2.gz OIXGILBUABDWRY-FIRGSJFUSA-N 0 0 170.252 1.308 10 0 ADAERN c1ccc(-c2ccc3nncn3n2)cc1 27651868 351420824 /nfs/dbraw/zinc/42/08/24/351420824.db2.gz VZTXMHZTVPXSSO-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CC[C@@H](C)CNc1ncccn1 27909882 351421036 /nfs/dbraw/zinc/42/10/36/351421036.db2.gz CHGQDWOYAJVSNP-MRVPVSSYSA-N 0 0 165.240 1.935 10 0 ADAERN O=c1[nH]ccn1Cc1ccc(F)cc1 27438161 351421291 /nfs/dbraw/zinc/42/12/91/351421291.db2.gz KIUZJUHUJXPMGA-UHFFFAOYSA-N 0 0 192.193 1.364 10 0 ADAERN S=c1[nH]nc2n1CCCC2 28539970 351421986 /nfs/dbraw/zinc/42/19/86/351421986.db2.gz UTQZFTQFPYGRAK-UHFFFAOYSA-N 0 0 155.226 1.277 10 0 ADAERN CC(C)(O)c1ccn2ccnc2c1 28571428 351422078 /nfs/dbraw/zinc/42/20/78/351422078.db2.gz OHBYTSOKBPFLJW-UHFFFAOYSA-N 0 0 176.219 1.562 10 0 ADAERN O=Cc1c(O)ccc(O)c1Cl 29123369 351422551 /nfs/dbraw/zinc/42/25/51/351422551.db2.gz SHBMEDRRMJULPU-UHFFFAOYSA-N 0 0 172.567 1.564 10 0 ADAERN c1ccc(OCc2ncc[nH]2)cc1 31560399 351423235 /nfs/dbraw/zinc/42/32/35/351423235.db2.gz JMZUTNMUXBNVPD-UHFFFAOYSA-N 0 0 174.203 1.989 10 0 ADAERN O[C@H]1C=Cc2ccc(Cl)nc2[C@H]1O 31538300 351423308 /nfs/dbraw/zinc/42/33/08/351423308.db2.gz IFNXHWSNYLLEOV-RCOVLWMOSA-N 0 0 197.621 1.156 10 0 ADAERN O[C@@H](c1ccco1)C1CC1 32005431 351424115 /nfs/dbraw/zinc/42/41/15/351424115.db2.gz TWKPYXOJZIRISI-MRVPVSSYSA-N 0 0 138.166 1.723 10 0 ADAERN c1cc2cc3c(cc2[nH]1)OCCO3 32006823 351424413 /nfs/dbraw/zinc/42/44/13/351424413.db2.gz HZKISDDUZHNOFH-UHFFFAOYSA-N 0 0 175.187 1.939 10 0 ADAERN CC(C)CSc1nc(N)cc(=O)[nH]1 31892870 351424803 /nfs/dbraw/zinc/42/48/03/351424803.db2.gz IJTCWJMEWGCBRT-UHFFFAOYSA-N 0 0 199.279 1.100 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H](C)CO)C[C@@H]1O 32136557 351425326 /nfs/dbraw/zinc/42/53/26/351425326.db2.gz RKCNERCHRYXYPR-KATARQTJSA-N 0 0 172.268 1.412 10 0 ADAERN CC(C)(O)CN1CCc2ccccc21 32008470 351425559 /nfs/dbraw/zinc/42/55/59/351425559.db2.gz AWYRPRPESSQPOY-UHFFFAOYSA-N 0 0 191.274 1.820 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nc1ccccn1 32144920 351426500 /nfs/dbraw/zinc/42/65/00/351426500.db2.gz HXOKCZQWCHGWFP-VHSXEESVSA-N 0 0 192.262 1.797 10 0 ADAERN O[C@H]1CCCC[C@H]1Nc1ccccn1 32144929 351426853 /nfs/dbraw/zinc/42/68/53/351426853.db2.gz HXOKCZQWCHGWFP-ZJUUUORDSA-N 0 0 192.262 1.797 10 0 ADAERN C[C@@H]1C[S@@](=O)c2ccccc2C1=O 32191622 351427696 /nfs/dbraw/zinc/42/76/96/351427696.db2.gz LGEMGPGNKMFLDE-UHLUBPPHSA-N 0 0 194.255 1.627 10 0 ADAERN C[C@@H]1Cc2ccccc2[C@H]1O 32189407 351427728 /nfs/dbraw/zinc/42/77/28/351427728.db2.gz WLDINFWSUHFASR-XCBNKYQSSA-N 0 0 148.205 1.912 10 0 ADAERN C[C@@H]1C[S@](=O)c2ccccc2C1=O 32191626 351427794 /nfs/dbraw/zinc/42/77/94/351427794.db2.gz LGEMGPGNKMFLDE-FUXBKTLASA-N 0 0 194.255 1.627 10 0 ADAERN c1ccc2c(N3CCC3)ncnc2c1 32899473 351428474 /nfs/dbraw/zinc/42/84/74/351428474.db2.gz ZQLGSYNAZQIPED-UHFFFAOYSA-N 0 0 185.230 1.840 10 0 ADAERN CC(C)COC[C@H](C)OC[C@@H](C)O 33506162 351431581 /nfs/dbraw/zinc/43/15/81/351431581.db2.gz IRMJKQPPTUZTNE-ZJUUUORDSA-N 0 0 190.283 1.445 10 0 ADAERN C[C@@H]1C[C@@H](Cc2ccccc2)NC1=O 33638667 351431003 /nfs/dbraw/zinc/43/10/03/351431003.db2.gz WPMFKCWRVDOCEC-KOLCDFICSA-N 0 0 189.258 1.754 10 0 ADAERN C[C@@H]1C[C@H](Cc2ccccc2)NC1=O 33638664 351431206 /nfs/dbraw/zinc/43/12/06/351431206.db2.gz WPMFKCWRVDOCEC-MWLCHTKSSA-N 0 0 189.258 1.754 10 0 ADAERN CCOc1ccc(NC#N)cc1 33605284 351431590 /nfs/dbraw/zinc/43/15/90/351431590.db2.gz FJUGLINMEXQSBP-UHFFFAOYSA-N 0 0 162.192 1.978 10 0 ADAERN C[C@@H]1Cc2ccccc2N1C(N)=S 33508052 351431736 /nfs/dbraw/zinc/43/17/36/351431736.db2.gz OAPRLNLOMUODQR-SSDOTTSWSA-N 0 0 192.287 1.681 10 0 ADAERN O=c1[nH]cncc1-c1ccsc1 33824140 351432333 /nfs/dbraw/zinc/43/23/33/351432333.db2.gz VOBUFKDDWPSVEN-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN c1ccc2c(c1)Cn1ccnc1CN2 33874944 351432388 /nfs/dbraw/zinc/43/23/88/351432388.db2.gz GWSCOZZXRQEHTO-UHFFFAOYSA-N 0 0 185.230 1.857 10 0 ADAERN OC(O)c1ccccc1Cl 33790974 351432487 /nfs/dbraw/zinc/43/24/87/351432487.db2.gz KOGGWJLSWALKAV-UHFFFAOYSA-N 0 0 158.584 1.323 10 0 ADAERN Oc1ccc([C@H](O)C(F)F)cc1 33961520 351433538 /nfs/dbraw/zinc/43/35/38/351433538.db2.gz AKGWEMXWSCPYNG-ZETCQYMHSA-N 0 0 174.146 1.691 10 0 ADAERN CCSc1ccncc1C(N)=O 33868167 351432782 /nfs/dbraw/zinc/43/27/82/351432782.db2.gz BNWZBTIJWLQLPE-UHFFFAOYSA-N 0 0 182.248 1.293 10 0 ADAERN C[C@@H]1CCC[C@]1(C[NH3+])CC(=O)[O-] 33961497 351433319 /nfs/dbraw/zinc/43/33/19/351433319.db2.gz PWXVILGGHDMFDJ-VXNVDRBHSA-N 0 0 171.240 1.226 10 0 ADAERN O[C@@H]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 33950163 351433381 /nfs/dbraw/zinc/43/33/81/351433381.db2.gz OIXGILBUABDWRY-UTINFBMNSA-N 0 0 170.252 1.308 10 0 ADAERN O[C@H]1CC[C@H]2C[C@H](O)CC[C@@H]2C1 33950175 351433475 /nfs/dbraw/zinc/43/34/75/351433475.db2.gz OIXGILBUABDWRY-YNFQOJQRSA-N 0 0 170.252 1.308 10 0 ADAERN Oc1ccc([C@@H](O)C(F)F)cc1 33961521 351433498 /nfs/dbraw/zinc/43/34/98/351433498.db2.gz AKGWEMXWSCPYNG-SSDOTTSWSA-N 0 0 174.146 1.691 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@H]([NH3+])C(=O)[O-] 33966104 351433504 /nfs/dbraw/zinc/43/35/04/351433504.db2.gz QPSHSWLKGUXBDR-CSMHCCOUSA-N 0 0 171.240 1.225 10 0 ADAERN c1nc2cc3c[nH][nH]c3cc2n1 34060533 351433710 /nfs/dbraw/zinc/43/37/10/351433710.db2.gz QYHZGPNGHOJATA-UHFFFAOYSA-N 0 0 158.164 1.439 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@H]([NH3+])C(=O)[O-] 33966106 351433980 /nfs/dbraw/zinc/43/39/80/351433980.db2.gz QPSHSWLKGUXBDR-PRJMDXOYSA-N 0 0 171.240 1.225 10 0 ADAERN O[C@H](c1ccccc1)c1cnccn1 34115839 351434453 /nfs/dbraw/zinc/43/44/53/351434453.db2.gz QBLVEAMZWMWYHL-LLVKDONJSA-N 0 0 186.214 1.558 10 0 ADAERN CC(C)CC(=O)c1ccncn1 34075687 351434519 /nfs/dbraw/zinc/43/45/19/351434519.db2.gz BITMEMKDUBHZIZ-UHFFFAOYSA-N 0 0 164.208 1.705 10 0 ADAERN O=c1[nH]cccc1-c1ccco1 34115394 351434595 /nfs/dbraw/zinc/43/45/95/351434595.db2.gz UQIPGMMNAHXSKF-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN O[C@@H]1CCCCC[C@H]1n1cncn1 34092422 351434606 /nfs/dbraw/zinc/43/46/06/351434606.db2.gz NPIAFBQSBVFULA-RKDXNWHRSA-N 0 0 181.239 1.144 10 0 ADAERN O=C1CSC(c2ccncc2)=N1 34078594 351434693 /nfs/dbraw/zinc/43/46/93/351434693.db2.gz OLRSQTGMVPWKOX-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN O[C@@H]1CCCCC[C@@H]1n1cncn1 34092423 351435013 /nfs/dbraw/zinc/43/50/13/351435013.db2.gz NPIAFBQSBVFULA-DTWKUNHWSA-N 0 0 181.239 1.144 10 0 ADAERN O[C@H]1CCCCC[C@H]1n1cncn1 34092420 351435028 /nfs/dbraw/zinc/43/50/28/351435028.db2.gz NPIAFBQSBVFULA-BDAKNGLRSA-N 0 0 181.239 1.144 10 0 ADAERN O[C@H]1CCCCC[C@@H]1n1cncn1 34092421 351435057 /nfs/dbraw/zinc/43/50/57/351435057.db2.gz NPIAFBQSBVFULA-IUCAKERBSA-N 0 0 181.239 1.144 10 0 ADAERN O=Cc1cc2c(cc1O)CCCO2 34089385 351435061 /nfs/dbraw/zinc/43/50/61/351435061.db2.gz NUZWMRNNUMXLMS-UHFFFAOYSA-N 0 0 178.187 1.530 10 0 ADAERN C[C@@H]1Sc2ncccc2NC1=O 34124593 351435579 /nfs/dbraw/zinc/43/55/79/351435579.db2.gz CDASVYLKIDPXPX-YFKPBYRVSA-N 0 0 180.232 1.514 10 0 ADAERN CCCC(=O)OCC 34127020 351435621 /nfs/dbraw/zinc/43/56/21/351435621.db2.gz RGZMNMURYNMZJX-UHFFFAOYSA-N 0 0 115.152 1.164 10 0 ADAERN Oc1ccc2c(c1)[C@@H](O)CCC2 34153562 351435664 /nfs/dbraw/zinc/43/56/64/351435664.db2.gz IBPZMCUEEMKHED-JTQLQIEISA-N 0 0 164.204 1.762 10 0 ADAERN O[C@H](Cc1ccco1)C(F)(F)F 34140445 351435686 /nfs/dbraw/zinc/43/56/86/351435686.db2.gz YSUOUCWKPRMRJG-ZCFIWIBFSA-N 0 0 180.125 1.745 10 0 ADAERN Oc1ccc2c(c1)[C@H](O)CCC2 34153560 351435959 /nfs/dbraw/zinc/43/59/59/351435959.db2.gz IBPZMCUEEMKHED-SNVBAGLBSA-N 0 0 164.204 1.762 10 0 ADAERN OCC[C@@H](O)CCc1ccccc1 34199846 351437029 /nfs/dbraw/zinc/43/70/29/351437029.db2.gz SKZMHTRJUXJATN-NSHDSACASA-N 0 0 180.247 1.363 10 0 ADAERN C[C@@](O)(CO)c1ccc(Cl)cc1 34179937 351436518 /nfs/dbraw/zinc/43/65/18/351436518.db2.gz GPAKZAKGROKTFS-SECBINFHSA-N 0 0 186.638 1.540 10 0 ADAERN OCc1cc2occc2cn1 34204406 351436537 /nfs/dbraw/zinc/43/65/37/351436537.db2.gz CMGAVZIPQAAYEB-UHFFFAOYSA-N 0 0 149.149 1.320 10 0 ADAERN O=c1ccc2cnccc2o1 34213838 351436631 /nfs/dbraw/zinc/43/66/31/351436631.db2.gz AVHUAXRCQKTOLS-UHFFFAOYSA-N 0 0 147.133 1.188 10 0 ADAERN OCC[C@H](O)CCc1ccccc1 34199848 351436694 /nfs/dbraw/zinc/43/66/94/351436694.db2.gz SKZMHTRJUXJATN-LLVKDONJSA-N 0 0 180.247 1.363 10 0 ADAERN C[C@@H]1CCc2cncnc2C1 34236305 351437060 /nfs/dbraw/zinc/43/70/60/351437060.db2.gz FSCYBLYYODSGFX-SSDOTTSWSA-N 0 0 148.209 1.601 10 0 ADAERN c1ncc2cc3[nH]cnc3cc2n1 34235519 351437120 /nfs/dbraw/zinc/43/71/20/351437120.db2.gz DMZDMJAFXVYQHZ-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN OC[C@@H](O)c1cccc(Cl)c1 34278648 351437617 /nfs/dbraw/zinc/43/76/17/351437617.db2.gz WLWZAZBRGPMXCW-MRVPVSSYSA-N 0 0 172.611 1.366 10 0 ADAERN C[C@@H]1CC(C)(C)[NH2+]C(C)(C)N1 34317631 351437827 /nfs/dbraw/zinc/43/78/27/351437827.db2.gz QSSWKPVVDJURMQ-SSDOTTSWSA-N 0 0 156.273 1.473 10 0 ADAERN OC1(c2cncnc2)CCCC1 34295114 351437889 /nfs/dbraw/zinc/43/78/89/351437889.db2.gz VKURHDBJKXPWOC-UHFFFAOYSA-N 0 0 164.208 1.238 10 0 ADAERN O[C@H]1CC(F)(F)[C@@]1(F)Cl 34324420 351438051 /nfs/dbraw/zinc/43/80/51/351438051.db2.gz DAKIJMUFJSCSMW-ZAFYKAAXSA-N 0 0 160.522 1.291 10 0 ADAERN O[C@@H]1CC(F)(F)[C@@]1(F)Cl 34324422 351438149 /nfs/dbraw/zinc/43/81/49/351438149.db2.gz DAKIJMUFJSCSMW-VVJJHMBFSA-N 0 0 160.522 1.291 10 0 ADAERN S=c1cccc[nH]1 34361448 351438695 /nfs/dbraw/zinc/43/86/95/351438695.db2.gz NACXFXXVDWSUHO-UHFFFAOYSA-N 0 0 111.169 1.345 10 0 ADAERN CC(=O)Nc1ccc(C(C)=O)c(F)c1 34330947 351438840 /nfs/dbraw/zinc/43/88/40/351438840.db2.gz UIGNOZXFBHBXCU-UHFFFAOYSA-N 0 0 195.193 1.987 10 0 ADAERN c1ncc2c(n1)N=NC2 34327574 351438915 /nfs/dbraw/zinc/43/89/15/351438915.db2.gz ZKLZWYYOUIMSJD-UHFFFAOYSA-N 0 0 120.115 1.074 10 0 ADAERN O=c1ccn(Oc2ccccc2)cc1 34367599 351439016 /nfs/dbraw/zinc/43/90/16/351439016.db2.gz IPDAEUMJYVIVEX-UHFFFAOYSA-N 0 0 187.198 1.690 10 0 ADAERN c1cc2cc(C3OCCO3)ncc2[nH]1 34334269 351439092 /nfs/dbraw/zinc/43/90/92/351439092.db2.gz SIKGOTOOCJGJQO-UHFFFAOYSA-N 0 0 190.202 1.608 10 0 ADAERN c1cc2cncnc2cn1 34361081 351439095 /nfs/dbraw/zinc/43/90/95/351439095.db2.gz PAQYIEZTLSDLQO-UHFFFAOYSA-N 0 0 131.138 1.025 10 0 ADAERN CC(C)COc1cccnc1N 34344605 351439137 /nfs/dbraw/zinc/43/91/37/351439137.db2.gz ZSGVGNDTGMNVFP-UHFFFAOYSA-N 0 0 166.224 1.699 10 0 ADAERN O=Cc1cn2c3c(sc2n1)CCC3 34427739 351439571 /nfs/dbraw/zinc/43/95/71/351439571.db2.gz MGRNIPZSYBWAPQ-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN OCc1csc(N2CCCCC2)n1 34447502 351439593 /nfs/dbraw/zinc/43/95/93/351439593.db2.gz NWHDUIMMNWGUFB-UHFFFAOYSA-N 0 0 198.291 1.626 10 0 ADAERN O=Cc1ccc(-c2ccc(=O)[nH]c2)cc1 34441288 351439723 /nfs/dbraw/zinc/43/97/23/351439723.db2.gz ITWGRIHKIPNJJO-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O=Cc1cc(C(F)(F)F)no1 34403951 351439748 /nfs/dbraw/zinc/43/97/48/351439748.db2.gz KTACAADQPXWQNC-UHFFFAOYSA-N 0 0 165.070 1.506 10 0 ADAERN O=Cc1csc(N2CCCCC2)n1 34447517 351440026 /nfs/dbraw/zinc/44/00/26/351440026.db2.gz XZUZHIRFXCAFEH-UHFFFAOYSA-N 0 0 196.275 1.946 10 0 ADAERN O=[N+]([O-])/C=C/c1ccc(Cl)nc1 34449731 351440417 /nfs/dbraw/zinc/44/04/17/351440417.db2.gz GZEJYDYASHTDOU-ONEGZZNKSA-N 0 0 184.582 1.982 10 0 ADAERN COC(=O)Cc1csc(=S)[nH]1 34448700 351440459 /nfs/dbraw/zinc/44/04/59/351440459.db2.gz XFWPKZNUGUKGFR-UHFFFAOYSA-N 0 0 189.261 1.147 10 0 ADAERN Oc1ccc(OCCF)cc1 34450128 351440510 /nfs/dbraw/zinc/44/05/10/351440510.db2.gz PLKINCRMLKOOAV-UHFFFAOYSA-N 0 0 156.156 1.741 10 0 ADAERN CN(C)c1cc(=O)c2ccccc2[nH]1 34449959 351440750 /nfs/dbraw/zinc/44/07/50/351440750.db2.gz UQHAFOWIUQQPQF-UHFFFAOYSA-N 0 0 188.230 1.594 10 0 ADAERN CCc1nc(C(N)=S)cs1 34448706 351440762 /nfs/dbraw/zinc/44/07/62/351440762.db2.gz SFKWNUIPVRXIKR-UHFFFAOYSA-N 0 0 172.278 1.340 10 0 ADAERN C[C@H]1CCN(C(=O)OC(C)(C)C)C1=O 34450735 351440896 /nfs/dbraw/zinc/44/08/96/351440896.db2.gz ZTDAZCKXLUPJBL-ZETCQYMHSA-N 0 0 199.250 1.790 10 0 ADAERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C1=O 34450733 351440944 /nfs/dbraw/zinc/44/09/44/351440944.db2.gz ZTDAZCKXLUPJBL-SSDOTTSWSA-N 0 0 199.250 1.790 10 0 ADAERN CC(C)C1C(=O)OC(C)(C)OC1=O 34449861 351440965 /nfs/dbraw/zinc/44/09/65/351440965.db2.gz QIXBKCQMVPXYQY-UHFFFAOYSA-N 0 0 186.207 1.095 10 0 ADAERN OCCC1=CCCc2ncccc21 34499713 351441572 /nfs/dbraw/zinc/44/15/72/351441572.db2.gz CMSASCQTYLICSP-UHFFFAOYSA-N 0 0 175.231 1.794 10 0 ADAERN c1ccn(Nc2ccncn2)c1 34490294 351441832 /nfs/dbraw/zinc/44/18/32/351441832.db2.gz YPOSBKKPGVRUDH-UHFFFAOYSA-N 0 0 160.180 1.153 10 0 ADAERN O=Cc1c[nH]c(-c2ccccn2)n1 34479354 351441886 /nfs/dbraw/zinc/44/18/86/351441886.db2.gz JYJQYZQOISNECN-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN O=c1cc([O-])cc(-c2cccnc2)o1 34541034 351442381 /nfs/dbraw/zinc/44/23/81/351442381.db2.gz HWOWEGAQDKKHDR-UHFFFAOYSA-N 0 0 189.170 1.407 10 0 ADAERN C[C@@H]1CO[C@H]2c3ccccc3C(=O)N21 34562511 351442444 /nfs/dbraw/zinc/44/24/44/351442444.db2.gz ZPWSFMCLMRAJHF-HQJQHLMTSA-N 0 0 189.214 1.560 10 0 ADAERN Cc1c(N)ccc2ocnc12 34568269 351442454 /nfs/dbraw/zinc/44/24/54/351442454.db2.gz VKYBFWVYPFVAEM-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN COc1ccc(N)c(C)c1[N+](=O)[O-] 34568262 351442464 /nfs/dbraw/zinc/44/24/64/351442464.db2.gz ZBDXBGMOCMCDKQ-UHFFFAOYSA-N 0 0 182.179 1.494 10 0 ADAERN OC[C@H](F)c1ccccc1 34539821 351442585 /nfs/dbraw/zinc/44/25/85/351442585.db2.gz GLILMQSBSOSSAG-QMMMGPOBSA-N 0 0 140.157 1.690 10 0 in-vitro ADAERN O=C1C[C@@H](COCc2ccccc2)O1 34568272 351442593 /nfs/dbraw/zinc/44/25/93/351442593.db2.gz FFZUPFGJEQVPCK-JTQLQIEISA-N 0 0 192.214 1.519 10 0 ADAERN Cc1cccc(-c2cc(=O)n(C)[n-]2)c1 34568147 351442627 /nfs/dbraw/zinc/44/26/27/351442627.db2.gz VGYWTIOAAHDJNZ-UHFFFAOYSA-N 0 0 188.230 1.561 10 0 ADAERN C[C@@H]1Nc2ccc(F)cc2NC1=O 34536801 351442685 /nfs/dbraw/zinc/44/26/85/351442685.db2.gz ZXGDQNLIAUXOLE-YFKPBYRVSA-N 0 0 180.182 1.578 10 0 ADAERN OC[C@@H](F)c1ccccc1 34539819 351442692 /nfs/dbraw/zinc/44/26/92/351442692.db2.gz GLILMQSBSOSSAG-MRVPVSSYSA-N 0 0 140.157 1.690 10 0 in-vitro ADAERN CCc1c(N)ccc2ocnc12 34568285 351442712 /nfs/dbraw/zinc/44/27/12/351442712.db2.gz JATKUHHROMUUBS-UHFFFAOYSA-N 0 0 162.192 1.972 10 0 ADAERN Oc1ccc(-c2cnccn2)cc1 34596019 351443116 /nfs/dbraw/zinc/44/31/16/351443116.db2.gz PNSWNYYMDRNEFB-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN Cc1noc(C(C)C)n1 34573523 351443324 /nfs/dbraw/zinc/44/33/24/351443324.db2.gz GOHVMJHIKKCOTE-UHFFFAOYSA-N 0 0 126.159 1.501 10 0 ADAERN CC(C)(O)C(=O)c1ccoc1 34574023 351443363 /nfs/dbraw/zinc/44/33/63/351443363.db2.gz CKPPHRMMGIJYTC-UHFFFAOYSA-N 0 0 154.165 1.233 10 0 ADAERN Cc1noc(Cc2ccccc2)n1 34573525 351443493 /nfs/dbraw/zinc/44/34/93/351443493.db2.gz YFFFIMGRYRYPIM-UHFFFAOYSA-N 0 0 174.203 1.969 10 0 ADAERN OC[C@H]1CCO[C@@H](c2ccccc2)O1 34616127 351444419 /nfs/dbraw/zinc/44/44/19/351444419.db2.gz OLFYATZNXPXIAY-GHMZBOCLSA-N 0 0 194.230 1.483 10 0 ADAERN OC[C@@H]1CCO[C@@H](c2ccccc2)O1 34616126 351444458 /nfs/dbraw/zinc/44/44/58/351444458.db2.gz OLFYATZNXPXIAY-WDEREUQCSA-N 0 0 194.230 1.483 10 0 ADAERN O=Cc1ccc2ccnn2c1 34621681 351444474 /nfs/dbraw/zinc/44/44/74/351444474.db2.gz AYWFMERVJDICFE-UHFFFAOYSA-N 0 0 146.149 1.147 10 0 ADAERN OC[C@H]1CCO[C@H](c2ccccc2)O1 34616128 351444548 /nfs/dbraw/zinc/44/45/48/351444548.db2.gz OLFYATZNXPXIAY-MNOVXSKESA-N 0 0 194.230 1.483 10 0 ADAERN O=Cc1cc(CO)cs1 34751636 351445643 /nfs/dbraw/zinc/44/56/43/351445643.db2.gz BMYQANNSUHPSKJ-UHFFFAOYSA-N 0 0 142.179 1.053 10 0 ADAERN S=C1CCC[C@H]2CCCN12 34892692 351445709 /nfs/dbraw/zinc/44/57/09/351445709.db2.gz YSWQHOLIFLWNJG-ZETCQYMHSA-N 0 0 155.266 1.962 10 0 ADAERN C[C@@H]1CCCC[C@@H]1NC(N)=S 34938864 351445820 /nfs/dbraw/zinc/44/58/20/351445820.db2.gz CAOMLGGTPPGEFR-RQJHMYQMSA-N 0 0 172.297 1.398 10 0 ADAERN S=C1CCC[C@@H]2CCCN12 34892691 351445892 /nfs/dbraw/zinc/44/58/92/351445892.db2.gz YSWQHOLIFLWNJG-SSDOTTSWSA-N 0 0 155.266 1.962 10 0 ADAERN C[C@@H]1CCCC[C@H]1NC(N)=S 34938866 351446009 /nfs/dbraw/zinc/44/60/09/351446009.db2.gz CAOMLGGTPPGEFR-RNFRBKRXSA-N 0 0 172.297 1.398 10 0 ADAERN CC[C@@H](C)C(=O)Nc1ccc(N)cn1 34962875 351446605 /nfs/dbraw/zinc/44/66/05/351446605.db2.gz MYUKRGFWUGNHFH-SSDOTTSWSA-N 0 0 193.250 1.648 10 0 ADAERN Oc1ccccc1OC[C@@H]1CCCO1 34962402 351446708 /nfs/dbraw/zinc/44/67/08/351446708.db2.gz MCDPOYFNLOKAHA-VIFPVBQESA-N 0 0 194.230 1.950 10 0 in-vitro ADAERN Oc1ccccc1OC[C@H]1CCCO1 34962403 351446787 /nfs/dbraw/zinc/44/67/87/351446787.db2.gz MCDPOYFNLOKAHA-SECBINFHSA-N 0 0 194.230 1.950 10 0 in-vitro ADAERN C[C@@H]1C[C@H]1C(=O)Cc1ccccn1 34940309 351446852 /nfs/dbraw/zinc/44/68/52/351446852.db2.gz JIKJNUGKCWHCPV-PSASIEDQSA-N 0 0 175.231 1.849 10 0 ADAERN C[C@@H]1CCC[C@@H]([NH2+]CC(=O)[O-])C1 34959543 351447058 /nfs/dbraw/zinc/44/70/58/351447058.db2.gz FUQSZGPFANDDCW-HTQZYQBOSA-N 0 0 171.240 1.239 10 0 ADAERN S=C1N=NC(c2ccoc2)O1 34964298 351446925 /nfs/dbraw/zinc/44/69/25/351446925.db2.gz SEKFTJNJFFRRJP-UHFFFAOYSA-N 0 0 168.177 1.618 10 0 ADAERN C[C@@H]1CCC[C@H]([NH2+]CC(=O)[O-])C1 34959539 351446934 /nfs/dbraw/zinc/44/69/34/351446934.db2.gz FUQSZGPFANDDCW-SFYZADRCSA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccccn1 34940307 351447040 /nfs/dbraw/zinc/44/70/40/351447040.db2.gz JIKJNUGKCWHCPV-SCZZXKLOSA-N 0 0 175.231 1.849 10 0 ADAERN CC[C@@H](C)Sc1nc(N)cc(=O)[nH]1 34956546 351447047 /nfs/dbraw/zinc/44/70/47/351447047.db2.gz CYCKODXMWOEASB-RXMQYKEDSA-N 0 0 199.279 1.243 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N)cn1 34962883 351447062 /nfs/dbraw/zinc/44/70/62/351447062.db2.gz IFQVBFOHNSCRHX-SVRRBLITSA-N 0 0 191.234 1.258 10 0 ADAERN CC(C)CCc1n[nH]c(=S)n1N 34972142 351447093 /nfs/dbraw/zinc/44/70/93/351447093.db2.gz LRIREEPFFBAICP-UHFFFAOYSA-N 0 0 186.284 1.243 10 0 ADAERN c1cnc2nc3c(n2c1)CCCC3 35015923 351447924 /nfs/dbraw/zinc/44/79/24/351447924.db2.gz HBCWZMYIXPKXKU-UHFFFAOYSA-N 0 0 173.219 1.608 10 0 ADAERN OCC[C@H](O)c1ccc(F)cc1 35079922 351448276 /nfs/dbraw/zinc/44/82/76/351448276.db2.gz GEWDSLKGMMEOAZ-VIFPVBQESA-N 0 0 170.183 1.242 10 0 ADAERN c1cn2c3c(nc2cn1)CCCCC3 35015935 351448280 /nfs/dbraw/zinc/44/82/80/351448280.db2.gz ZWEXHLVGQVARDS-UHFFFAOYSA-N 0 0 187.246 1.998 10 0 ADAERN CCS(=O)(=O)c1ccc(N)c(C)c1 35277503 351449073 /nfs/dbraw/zinc/44/90/73/351449073.db2.gz NXTSLDNXEFOTSB-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN C[C@@H]1CSC(NCC(F)(F)F)=N1 35294840 351449084 /nfs/dbraw/zinc/44/90/84/351449084.db2.gz WLIRIGVRTONCKV-SCSAIBSYSA-N 0 0 198.213 1.630 10 0 ADAERN CCOCc1cc(F)ccc1N 35308679 351449181 /nfs/dbraw/zinc/44/91/81/351449181.db2.gz GBOYSDFHDVLWFO-UHFFFAOYSA-N 0 0 169.199 1.944 10 0 ADAERN CCS(=O)(=O)Cc1cccc(N)c1 35320238 351449536 /nfs/dbraw/zinc/44/95/36/351449536.db2.gz SGSKKMKVOZZYHG-UHFFFAOYSA-N 0 0 199.275 1.204 10 0 ADAERN OCc1cnc(-c2ccccn2)nc1 35323105 351450669 /nfs/dbraw/zinc/45/06/69/351450669.db2.gz WDLGTKMEQRIYAD-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN OCc1cnc(-c2ccncc2)nc1 35323098 351450902 /nfs/dbraw/zinc/45/09/02/351450902.db2.gz MGQFJKNFEPAFBC-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN O=Cc1ccc2oc(C=O)nc2c1 35569662 351451142 /nfs/dbraw/zinc/45/11/42/351451142.db2.gz RFPXTMJYXDVMKB-UHFFFAOYSA-N 0 0 175.143 1.453 10 0 ADAERN CCSc1ccc(N)c2nonc12 35676029 351451614 /nfs/dbraw/zinc/45/16/14/351451614.db2.gz YJWRZGXUOHQLLP-UHFFFAOYSA-N 0 0 195.247 1.917 10 0 ADAERN C[C@@H](O)c1cccc(NC(N)=O)c1 35647206 351451789 /nfs/dbraw/zinc/45/17/89/351451789.db2.gz UYGDAQDMQAVYBF-ZCFIWIBFSA-N 0 0 180.207 1.231 10 0 ADAERN C[C@@H](O)c1ccccc1-n1cncn1 35650572 351451911 /nfs/dbraw/zinc/45/19/11/351451911.db2.gz DYBNNVYFSSTERM-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN C[C@@H](O)c1ccc(N(C)C)c(F)c1 35631455 351451975 /nfs/dbraw/zinc/45/19/75/351451975.db2.gz PSLIVMZHOVUYSD-SSDOTTSWSA-N 0 0 183.226 1.945 10 0 ADAERN C[C@@H](O)c1ccccc1-n1cccn1 35650570 351452009 /nfs/dbraw/zinc/45/20/09/351452009.db2.gz KWIINUAHDATTML-SECBINFHSA-N 0 0 188.230 1.926 10 0 ADAERN C[C@@H](O)c1ccccc1NC(N)=O 35647282 351452081 /nfs/dbraw/zinc/45/20/81/351452081.db2.gz MTCCTKBKJZIQCG-ZCFIWIBFSA-N 0 0 180.207 1.231 10 0 ADAERN C[C@@H](O)c1ccc(NC(N)=O)cc1 35647124 351452355 /nfs/dbraw/zinc/45/23/55/351452355.db2.gz GMPMBOPZHAFGEO-ZCFIWIBFSA-N 0 0 180.207 1.231 10 0 ADAERN O=Cc1c[nH]c2c(C=O)cccc12 35635615 351452504 /nfs/dbraw/zinc/45/25/04/351452504.db2.gz RHAUKPIBNXMSNK-UHFFFAOYSA-N 0 0 173.171 1.793 10 0 ADAERN C[C@@H](O)c1ccccc1-n1ccnc1 35650574 351452514 /nfs/dbraw/zinc/45/25/14/351452514.db2.gz OYGPZFIKXLGZRX-SECBINFHSA-N 0 0 188.230 1.926 10 0 ADAERN OCCCCn1cnc2ccccc21 35650039 351452534 /nfs/dbraw/zinc/45/25/34/351452534.db2.gz SEQLNTGSELNDHC-UHFFFAOYSA-N 0 0 190.246 1.809 10 0 ADAERN C[C@@H]([C@H]1CCCO1)n1cn[nH]c1=S 35736317 351452892 /nfs/dbraw/zinc/45/28/92/351452892.db2.gz SVJLIQIGVBFBIP-NKWVEPMBSA-N 0 0 199.279 1.681 10 0 ADAERN C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)C(=O)[O-])C1 35759239 351453048 /nfs/dbraw/zinc/45/30/48/351453048.db2.gz KTBKCUFBAYJHQZ-OPRDCNLKSA-N 0 0 199.294 1.685 10 0 ADAERN OCCNc1nccc2sccc12 35687745 351453174 /nfs/dbraw/zinc/45/31/74/351453174.db2.gz VIWQNHNUOVJIPS-UHFFFAOYSA-N 0 0 194.259 1.701 10 0 ADAERN C[C@@H](c1ccncc1)N1CCC(=O)C1 35693467 351453196 /nfs/dbraw/zinc/45/31/96/351453196.db2.gz VWVSXDVMZONJKT-VIFPVBQESA-N 0 0 190.246 1.417 10 0 ADAERN C[C@@H](c1ccccn1)N1CCC(=O)C1 35694823 351453209 /nfs/dbraw/zinc/45/32/09/351453209.db2.gz ORVMUEGVJISVEA-VIFPVBQESA-N 0 0 190.246 1.417 10 0 ADAERN CC(C)CNc1ccc(N)cn1 35708310 351453417 /nfs/dbraw/zinc/45/34/17/351453417.db2.gz VADUWRJHLKYXBE-UHFFFAOYSA-N 0 0 165.240 1.732 10 0 ADAERN C[C@@H]([C@@H]1CCCO1)n1cn[nH]c1=S 35736315 351453598 /nfs/dbraw/zinc/45/35/98/351453598.db2.gz SVJLIQIGVBFBIP-BQBZGAKWSA-N 0 0 199.279 1.681 10 0 ADAERN C[C@@H](c1ccco1)N1C(=O)C=CC1=O 35739432 351453687 /nfs/dbraw/zinc/45/36/87/351453687.db2.gz APRRLYJFOKWCJB-ZETCQYMHSA-N 0 0 191.186 1.266 10 0 ADAERN CC[C@@H](C)CNc1cn[nH]c1 35763654 351454229 /nfs/dbraw/zinc/45/42/29/351454229.db2.gz FZQWPMADTFRCAH-SSDOTTSWSA-N 0 0 153.229 1.868 10 0 ADAERN c1cc(CNc2cn[nH]c2)ccn1 35764012 351454272 /nfs/dbraw/zinc/45/42/72/351454272.db2.gz JYVMXDLMAMJQDS-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN O[C@@H](Cc1ccccc1)c1c[nH]cn1 35822633 351454277 /nfs/dbraw/zinc/45/42/77/351454277.db2.gz XNFJVUIUBRLYBX-NSHDSACASA-N 0 0 188.230 1.686 10 0 ADAERN CC[C@@H](C)Nc1cn[nH]c1 35763749 351454567 /nfs/dbraw/zinc/45/45/67/351454567.db2.gz JGNJFANESLJARQ-ZCFIWIBFSA-N 0 0 139.202 1.620 10 0 ADAERN O[C@H](Cc1ccccc1)c1c[nH]cn1 35822634 351454585 /nfs/dbraw/zinc/45/45/85/351454585.db2.gz XNFJVUIUBRLYBX-LLVKDONJSA-N 0 0 188.230 1.686 10 0 ADAERN c1n[nH]cc1NC1CCSCC1 35763513 351454736 /nfs/dbraw/zinc/45/47/36/351454736.db2.gz HDSFTWOJEFXSNI-UHFFFAOYSA-N 0 0 183.280 1.717 10 0 ADAERN C[C@@H]1Nc2cc(F)ccc2NC1=O 35837252 351454745 /nfs/dbraw/zinc/45/47/45/351454745.db2.gz UDBZOEQVLJXEEQ-YFKPBYRVSA-N 0 0 180.182 1.578 10 0 ADAERN c1ccc(CNc2cn[nH]c2)nc1 35763723 351454767 /nfs/dbraw/zinc/45/47/67/351454767.db2.gz WBYFFKOUXFYLMY-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN c1n[nH]cc1N[C@H]1CCSC1 35764044 351454773 /nfs/dbraw/zinc/45/47/73/351454773.db2.gz ZTYUXIKYRXBVJG-LURJTMIESA-N 0 0 169.253 1.327 10 0 ADAERN CC(C)CCNc1cn[nH]c1 35764005 351454796 /nfs/dbraw/zinc/45/47/96/351454796.db2.gz FIUAQRFUFCKDQN-UHFFFAOYSA-N 0 0 153.229 1.868 10 0 ADAERN CCOc1ccc2c(c1)C(=O)NCC2 36221922 351455400 /nfs/dbraw/zinc/45/54/00/351455400.db2.gz LTNVJPNBEIHKEX-UHFFFAOYSA-N 0 0 191.230 1.371 10 0 ADAERN CCOc1ccc(C(=O)COC)cc1 36180587 351455768 /nfs/dbraw/zinc/45/57/68/351455768.db2.gz NGHPTXFSPADWFW-UHFFFAOYSA-N 0 0 194.230 1.914 10 0 ADAERN S=c1[nH]nc2ccc(Cl)cn12 36240813 351455801 /nfs/dbraw/zinc/45/58/01/351455801.db2.gz BYIFZZMUWDQFQO-UHFFFAOYSA-N 0 0 185.639 1.671 10 0 ADAERN C[C@@H]1Nc2ccccc2OC1=O 36258977 351455945 /nfs/dbraw/zinc/45/59/45/351455945.db2.gz QKXXBIFQENFWPM-LURJTMIESA-N 0 0 163.176 1.406 10 0 ADAERN c1n[nH]cc1NC1CCOCC1 36304706 351456050 /nfs/dbraw/zinc/45/60/50/351456050.db2.gz HRMQZEBKCDOHSZ-UHFFFAOYSA-N 0 0 167.212 1.001 10 0 ADAERN c1ccc(NC2CCOCC2)nc1 36319977 351456603 /nfs/dbraw/zinc/45/66/03/351456603.db2.gz AHRSPCIRHFGDIY-UHFFFAOYSA-N 0 0 178.235 1.673 10 0 ADAERN CC(C)C[C@H]1CCC(=O)N1 36437601 351456639 /nfs/dbraw/zinc/45/66/39/351456639.db2.gz SRTMHYDFTGFOIE-SSDOTTSWSA-N 0 0 141.214 1.311 10 0 ADAERN S=c1[nH]ccn1C1CCOCC1 36320091 351456659 /nfs/dbraw/zinc/45/66/59/351456659.db2.gz VQPVMWAMWLSKFR-UHFFFAOYSA-N 0 0 184.264 1.897 10 0 ADAERN CC(C)=CCCCO 36437478 351456668 /nfs/dbraw/zinc/45/66/68/351456668.db2.gz KXKYVCJJVWNXQR-UHFFFAOYSA-N 0 0 114.188 1.725 10 0 ADAERN S=c1[nH]ncn1C1CCOCC1 36320106 351456670 /nfs/dbraw/zinc/45/66/70/351456670.db2.gz GVFKPVCMYCPODR-UHFFFAOYSA-N 0 0 185.252 1.292 10 0 ADAERN c1ccn(C2CCOCC2)c1 36320222 351456684 /nfs/dbraw/zinc/45/66/84/351456684.db2.gz KDNYUDJDSBAKLW-UHFFFAOYSA-N 0 0 151.209 1.840 10 0 ADAERN Oc1cccnc1-c1cccnc1 36438060 351456753 /nfs/dbraw/zinc/45/67/53/351456753.db2.gz CBPKLXOYVVXBRT-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN c1nc2sccc2[nH]1 36466071 351457500 /nfs/dbraw/zinc/45/75/00/351457500.db2.gz JCZAVVUIFWZMQI-UHFFFAOYSA-N 0 0 124.168 1.624 10 0 ADAERN O=Cc1ccc2[nH]c(=O)ccc2c1 36455937 351457615 /nfs/dbraw/zinc/45/76/15/351457615.db2.gz AAPOPNBYYIWIAX-UHFFFAOYSA-N 0 0 173.171 1.341 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnc(N)s1 36870632 351458326 /nfs/dbraw/zinc/45/83/26/351458326.db2.gz DWTQGHHNMKPSNU-DMTCNVIQSA-N 0 0 155.226 1.244 10 0 ADAERN CC[C@@H](C)N(C)c1c(N)c(C)nn1C 36749305 351458450 /nfs/dbraw/zinc/45/84/50/351458450.db2.gz UAXSXSVOXYOORD-SSDOTTSWSA-N 0 0 196.298 1.545 10 0 ADAERN C[C@@H]1C[C@@H]([NH2+]CC(=O)[O-])CC(C)(C)C1 36722913 351458536 /nfs/dbraw/zinc/45/85/36/351458536.db2.gz UGFKQVCWCFRGSJ-RKDXNWHRSA-N 0 0 199.294 1.875 10 0 ADAERN OCc1coc(-c2cccs2)n1 36761522 351458578 /nfs/dbraw/zinc/45/85/78/351458578.db2.gz ZGHLTHYTKVOXSO-UHFFFAOYSA-N 0 0 181.216 1.895 10 0 ADAERN CCOc1cccc2c(=O)[nH]ccc12 36689935 351458581 /nfs/dbraw/zinc/45/85/81/351458581.db2.gz FGFBERHEFUEWLH-UHFFFAOYSA-N 0 0 189.214 1.927 10 0 ADAERN C[C@@H](c1cccc(N)c1)N(C)C(N)=O 36743795 351458634 /nfs/dbraw/zinc/45/86/34/351458634.db2.gz IBZSZOMIKLUKPK-ZETCQYMHSA-N 0 0 193.250 1.340 10 0 ADAERN C[C@@H]1C[C@H]([NH2+]CC(=O)[O-])CC(C)(C)C1 36722909 351458679 /nfs/dbraw/zinc/45/86/79/351458679.db2.gz UGFKQVCWCFRGSJ-BDAKNGLRSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@@H]1C[C@H]1c1nnc(N)s1 36870634 351458751 /nfs/dbraw/zinc/45/87/51/351458751.db2.gz DWTQGHHNMKPSNU-QWWZWVQMSA-N 0 0 155.226 1.244 10 0 ADAERN CC[C@@H](C)NC(=O)c1cc(N)cn1C 36860881 351458763 /nfs/dbraw/zinc/45/87/63/351458763.db2.gz GILSOJSDNMDNTQ-SSDOTTSWSA-N 0 0 195.266 1.136 10 0 ADAERN CCSc1c(N)c(C)nn1C 36749649 351458831 /nfs/dbraw/zinc/45/88/31/351458831.db2.gz GELGRUADOMYEGG-UHFFFAOYSA-N 0 0 171.269 1.423 10 0 ADAERN C[C@@H]1Cc2cc(N)ccc2N1C(N)=O 36744442 351458982 /nfs/dbraw/zinc/45/89/82/351458982.db2.gz VVTNHPZMJVNRJE-ZCFIWIBFSA-N 0 0 191.234 1.099 10 0 ADAERN C[C@@H]1CC(=O)N(C(C)(C)C)C(=O)N1 36756517 351459025 /nfs/dbraw/zinc/45/90/25/351459025.db2.gz CRIMAZADVLSGNM-ZCFIWIBFSA-N 0 0 184.239 1.115 10 0 ADAERN Oc1ccc(OCc2ccno2)cc1 36896701 351459506 /nfs/dbraw/zinc/45/95/06/351459506.db2.gz XPLNOHULIQXSJK-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN Oc1ccccc1OCc1ccno1 36896817 351459561 /nfs/dbraw/zinc/45/95/61/351459561.db2.gz ZKZSMPMWZBJCJI-UHFFFAOYSA-N 0 0 191.186 1.959 10 0 ADAERN O=c1ccnc(Cc2ccccc2)[nH]1 36882076 351459939 /nfs/dbraw/zinc/45/99/39/351459939.db2.gz DGKZRBYZZOWQFM-UHFFFAOYSA-N 0 0 186.214 1.361 10 0 ADAERN S=C1N=NC(c2ccoc2)N1 36948365 351460787 /nfs/dbraw/zinc/46/07/87/351460787.db2.gz FJNIYHSDMXHFQX-UHFFFAOYSA-N 0 0 167.193 1.353 10 0 ADAERN C[C@@H]1CCCC[C@]12CC(=O)NC2=O 36929095 351460828 /nfs/dbraw/zinc/46/08/28/351460828.db2.gz FKOGVDPQCXHAJP-XCBNKYQSSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@H]1CCCC[C@@]12CC(=O)NC2=O 36929093 351461034 /nfs/dbraw/zinc/46/10/34/351461034.db2.gz FKOGVDPQCXHAJP-GMSGAONNSA-N 0 0 181.235 1.229 10 0 ADAERN C[C@@H]1CCC[C@@H](C)C12CC(=O)NC2=O 36929045 351461041 /nfs/dbraw/zinc/46/10/41/351461041.db2.gz YAOURXKSOZEHEQ-HTQZYQBOSA-N 0 0 195.262 1.475 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1cnn(C)c1 36944411 351461127 /nfs/dbraw/zinc/46/11/27/351461127.db2.gz OXGMVABBSBHMGI-SVRRBLITSA-N 0 0 164.208 1.259 10 0 ADAERN CC(C)CC[C@]1(C)CC(=O)NC1=O 36929070 351461165 /nfs/dbraw/zinc/46/11/65/351461165.db2.gz HSSLNSODNOTPEI-SNVBAGLBSA-N 0 0 183.251 1.475 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)c1cnn(C)c1 36944415 351461246 /nfs/dbraw/zinc/46/12/46/351461246.db2.gz OXGMVABBSBHMGI-HTRCEHHLSA-N 0 0 164.208 1.259 10 0 ADAERN CC(C)CC[C@@]1(C)CC(=O)NC1=O 36929071 351461299 /nfs/dbraw/zinc/46/12/99/351461299.db2.gz HSSLNSODNOTPEI-JTQLQIEISA-N 0 0 183.251 1.475 10 0 ADAERN CC(C)CC(=O)c1cnn(C)c1 36944439 351461331 /nfs/dbraw/zinc/46/13/31/351461331.db2.gz YVYIEKGIPNLWAC-UHFFFAOYSA-N 0 0 166.224 1.649 10 0 ADAERN C[C@@H]1CCC[C@@]2(CC(=O)NC2=O)C1 36929091 351461446 /nfs/dbraw/zinc/46/14/46/351461446.db2.gz TVZJNFDVAGDSNJ-XCBNKYQSSA-N 0 0 181.235 1.229 10 0 ADAERN CC(C)CCC1N=NC(=S)N1 36965056 351462275 /nfs/dbraw/zinc/46/22/75/351462275.db2.gz QDBVTGIMGPWISC-UHFFFAOYSA-N 0 0 171.269 1.682 10 0 ADAERN S=C1N=NCN1Cc1cccs1 36984642 351462290 /nfs/dbraw/zinc/46/22/90/351462290.db2.gz AWDJFQLYCXTQRJ-UHFFFAOYSA-N 0 0 197.288 1.677 10 0 ADAERN CC[C@@H](C)N1C(=O)C=C(C)C1=O 36962530 351462304 /nfs/dbraw/zinc/46/23/04/351462304.db2.gz NKJYJRBHXRXIEQ-SSDOTTSWSA-N 0 0 167.208 1.100 10 0 ADAERN CCOc1nc(NC)ccc1N 37066737 351462323 /nfs/dbraw/zinc/46/23/23/351462323.db2.gz FSUNTYLTIMUBBY-UHFFFAOYSA-N 0 0 167.212 1.104 10 0 ADAERN CC(C)CN(C)c1ncccc1N 37099062 351462463 /nfs/dbraw/zinc/46/24/63/351462463.db2.gz BSDNLLLIJZIHCQ-UHFFFAOYSA-N 0 0 179.267 1.756 10 0 ADAERN CCOc1nc(NC2CC2)ccc1N 37066709 351462482 /nfs/dbraw/zinc/46/24/82/351462482.db2.gz CQVNUFZRUFPRFJ-UHFFFAOYSA-N 0 0 193.250 1.637 10 0 ADAERN S=C1N=NC(Cc2ccncc2)N1 36965057 351462486 /nfs/dbraw/zinc/46/24/86/351462486.db2.gz OAUSYUJZGAGQOW-UHFFFAOYSA-N 0 0 192.247 1.079 10 0 ADAERN CC[C@@H](C)c1n[nH]c(C)n1 36960791 351462519 /nfs/dbraw/zinc/46/25/19/351462519.db2.gz UNUZFPGANQHDRJ-RXMQYKEDSA-N 0 0 139.202 1.627 10 0 ADAERN CCS(=O)(=O)c1ccc(N)cc1C 36950078 351462554 /nfs/dbraw/zinc/46/25/54/351462554.db2.gz PUXAKOYZPCSHJH-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN CC[C@@H](C)N(C)c1ccc(N)nc1 37109462 351463708 /nfs/dbraw/zinc/46/37/08/351463708.db2.gz DBIZKMWDKUMXNL-MRVPVSSYSA-N 0 0 179.267 1.899 10 0 ADAERN CC[C@@H](C)N1CCC(=O)C1 37239963 351463956 /nfs/dbraw/zinc/46/39/56/351463956.db2.gz BJGJQPBVRYBBOX-SSDOTTSWSA-N 0 0 141.214 1.060 10 0 ADAERN CCOc1[nH]c(=S)ccc1N 37181209 351464050 /nfs/dbraw/zinc/46/40/50/351464050.db2.gz XUZKHKPLUJNRJN-UHFFFAOYSA-N 0 0 170.237 1.725 10 0 ADAERN C[C@@H]1CCCC[C@H]1N1CCC(=O)C1 37240030 351464184 /nfs/dbraw/zinc/46/41/84/351464184.db2.gz HZAVWQLZSHIOTK-MWLCHTKSSA-N 0 0 181.279 1.840 10 0 ADAERN CC(C)CCN1CCC(=O)C1 37239833 351464248 /nfs/dbraw/zinc/46/42/48/351464248.db2.gz TXWSZLBUADVTGN-UHFFFAOYSA-N 0 0 155.241 1.307 10 0 ADAERN S=c1[nH]ncn1CC1CCC1 37180980 351464282 /nfs/dbraw/zinc/46/42/82/351464282.db2.gz XRZCJIHOBXINBN-UHFFFAOYSA-N 0 0 169.253 1.741 10 0 ADAERN C[C@@H]1CCCC[C@]1([NH2+]C1CC1)C(=O)[O-] 37183333 351464328 /nfs/dbraw/zinc/46/43/28/351464328.db2.gz CVLDKSJGDYFWMF-LDYMZIIASA-N 0 0 197.278 1.772 10 0 ADAERN C[C@@H]1CCC[C@]([NH2+]C2CC2)(C(=O)[O-])C1 37183343 351464502 /nfs/dbraw/zinc/46/45/02/351464502.db2.gz HFCMXKXBTOYKCD-LDYMZIIASA-N 0 0 197.278 1.772 10 0 ADAERN OCc1cc(F)ccc1-n1cccn1 37234715 351464515 /nfs/dbraw/zinc/46/45/15/351464515.db2.gz RMYIGVGDYMWYRO-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN O=Cc1cc(F)ccc1-n1cncn1 37233938 351464533 /nfs/dbraw/zinc/46/45/33/351464533.db2.gz YCMZFDQPHFEANG-UHFFFAOYSA-N 0 0 191.165 1.219 10 0 ADAERN C[C@@H]1CCC[C@@]([NH2+]C2CC2)(C(=O)[O-])C1 37183345 351464554 /nfs/dbraw/zinc/46/45/54/351464554.db2.gz HFCMXKXBTOYKCD-KCJUWKMLSA-N 0 0 197.278 1.772 10 0 ADAERN OCc1cc(F)ccc1-n1ccnc1 37234731 351464557 /nfs/dbraw/zinc/46/45/57/351464557.db2.gz NWIYBDKOIWAKIB-UHFFFAOYSA-N 0 0 192.193 1.504 10 0 ADAERN C[C@@H]1CCCC[C@@]1([NH2+]C1CC1)C(=O)[O-] 37183335 351464577 /nfs/dbraw/zinc/46/45/77/351464577.db2.gz CVLDKSJGDYFWMF-KCJUWKMLSA-N 0 0 197.278 1.772 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N1CCC(=O)C1 37240026 351464588 /nfs/dbraw/zinc/46/45/88/351464588.db2.gz HZAVWQLZSHIOTK-KOLCDFICSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@@H]1CCC[C@@H](NC(N)=S)C1 37255759 351465014 /nfs/dbraw/zinc/46/50/14/351465014.db2.gz PZNXLKBYAOYYAH-RNFRBKRXSA-N 0 0 172.297 1.398 10 0 ADAERN C[C@@H]1CCC[C@H](N2CCC(=O)C2)C1 37255763 351465043 /nfs/dbraw/zinc/46/50/43/351465043.db2.gz BLSGWLYZISMOBV-ZJUUUORDSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@@H]1CN(CC(=O)C(C)(C)C)CCO1 37332941 351465195 /nfs/dbraw/zinc/46/51/95/351465195.db2.gz SZBBSPFULAPIRB-SECBINFHSA-N 0 0 199.294 1.322 10 0 ADAERN C[C@@H]1CCC[C@@H](N2CCC(=O)C2)C1 37255767 351465237 /nfs/dbraw/zinc/46/52/37/351465237.db2.gz BLSGWLYZISMOBV-NXEZZACHSA-N 0 0 181.279 1.840 10 0 ADAERN C[C@@H]1CN([C@@H]2CCCC2=O)C[C@@H](C)O1 37332448 351465271 /nfs/dbraw/zinc/46/52/71/351465271.db2.gz CEUFBXYYEKCIMJ-OPRDCNLKSA-N 0 0 197.278 1.217 10 0 ADAERN C[C@@H]1CCC[C@H](N2C(=O)C=CC2=O)C1 37255926 351465306 /nfs/dbraw/zinc/46/53/06/351465306.db2.gz BEAZZTXOQAHNIM-BDAKNGLRSA-N 0 0 193.246 1.490 10 0 ADAERN C[C@@H]1COCCN1CC(=O)C(C)(C)C 37337922 351465329 /nfs/dbraw/zinc/46/53/29/351465329.db2.gz PVHANLNMOJZVGU-SECBINFHSA-N 0 0 199.294 1.322 10 0 ADAERN CC(C)C[C@H](C)N1CCC(=O)C1 37264965 351465354 /nfs/dbraw/zinc/46/53/54/351465354.db2.gz XSYNTBRVWRRCSB-VIFPVBQESA-N 0 0 169.268 1.696 10 0 ADAERN CC(C)C[C@H](C)NC(N)=S 37264969 351465426 /nfs/dbraw/zinc/46/54/26/351465426.db2.gz UBEMTNFBIWQGSA-LURJTMIESA-N 0 0 160.286 1.254 10 0 ADAERN CC(C)C[C@@H](C)N1CCC(=O)C1 37264964 351465457 /nfs/dbraw/zinc/46/54/57/351465457.db2.gz XSYNTBRVWRRCSB-SECBINFHSA-N 0 0 169.268 1.696 10 0 ADAERN CCS[C@@H]1CCCC1=O 37353259 351465677 /nfs/dbraw/zinc/46/56/77/351465677.db2.gz BCEGJAHJUNRERY-SSDOTTSWSA-N 0 0 144.239 1.861 10 0 ADAERN C[C@@H]1CN([C@@H]2CCCCC2=O)CCO1 37332754 351465752 /nfs/dbraw/zinc/46/57/52/351465752.db2.gz FUTDLKLMDKZEJA-NXEZZACHSA-N 0 0 197.278 1.219 10 0 ADAERN C[C@@H]1CCC[C@H](NC(N)=S)C1 37255755 351465843 /nfs/dbraw/zinc/46/58/43/351465843.db2.gz PZNXLKBYAOYYAH-RQJHMYQMSA-N 0 0 172.297 1.398 10 0 ADAERN CC(C)C[C@@H](C)NC(N)=S 37264968 351465826 /nfs/dbraw/zinc/46/58/26/351465826.db2.gz UBEMTNFBIWQGSA-ZCFIWIBFSA-N 0 0 160.286 1.254 10 0 ADAERN C[C@@H]1CCCC[C@@]1(C(=O)[O-])[NH+](C)C 37357607 351466428 /nfs/dbraw/zinc/46/64/28/351466428.db2.gz PSVNLLGKPVGUDA-PSASIEDQSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1CCCC[C@]1(C(=O)[O-])[NH+](C)C 37357611 351466478 /nfs/dbraw/zinc/46/64/78/351466478.db2.gz PSVNLLGKPVGUDA-SCZZXKLOSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H](Oc1ccccc1F)C(N)=O 37387286 351466481 /nfs/dbraw/zinc/46/64/81/351466481.db2.gz CBHTTZVRMYZPPV-ZCFIWIBFSA-N 0 0 183.182 1.078 10 0 ADAERN C[C@@H]1Oc2c(C(N)=O)cccc2[C@@H]1C 37388944 351466520 /nfs/dbraw/zinc/46/65/20/351466520.db2.gz WLQDBLTZGYZAHT-RQJHMYQMSA-N 0 0 191.230 1.670 10 0 ADAERN C[C@@](C(=O)[O-])(C1CC1)[NH+]1CCCCC1 37361785 351466802 /nfs/dbraw/zinc/46/68/02/351466802.db2.gz DOWRTDVNVCSXMQ-NSHDSACASA-N 0 0 197.278 1.726 10 0 ADAERN C[C@@H]1CCC[C@@](C(=O)[O-])([NH+](C)C)C1 37357638 351466917 /nfs/dbraw/zinc/46/69/17/351466917.db2.gz CTBOYNMVJAQEGI-PSASIEDQSA-N 0 0 185.267 1.582 10 0 ADAERN CC(C)CC(=O)c1ncccn1 37464325 351467654 /nfs/dbraw/zinc/46/76/54/351467654.db2.gz KDFZTIYLZAIGFM-UHFFFAOYSA-N 0 0 164.208 1.705 10 0 ADAERN S=C1N=NC(CCc2ccco2)N1 37404882 351467725 /nfs/dbraw/zinc/46/77/25/351467725.db2.gz CORCTYFFEFAPDF-UHFFFAOYSA-N 0 0 195.247 1.472 10 0 ADAERN C[C@@H]1C[C@@H]1C1N=NC(=S)N1 37404892 351467813 /nfs/dbraw/zinc/46/78/13/351467813.db2.gz VIUBRSFMMQTIJM-DMTCNVIQSA-N 0 0 155.226 1.217 10 0 ADAERN CC(C)C(=O)c1cnccn1 37464269 351467961 /nfs/dbraw/zinc/46/79/61/351467961.db2.gz MIXOVLFCVIFBHB-UHFFFAOYSA-N 0 0 150.181 1.315 10 0 ADAERN CCS(=O)(=O)c1ccc(C)cc1N 37401132 351468059 /nfs/dbraw/zinc/46/80/59/351468059.db2.gz OVGMZWGYCAJXMS-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN S=C1N=NC(Cc2ccsc2)N1 37404880 351468077 /nfs/dbraw/zinc/46/80/77/351468077.db2.gz PYHOKGYRCNAJPO-UHFFFAOYSA-N 0 0 197.288 1.746 10 0 ADAERN CC(C)C[C@@H](O)c1ncccn1 37465809 351468668 /nfs/dbraw/zinc/46/86/68/351468668.db2.gz AJBHSWOIOXIGSF-MRVPVSSYSA-N 0 0 166.224 1.556 10 0 ADAERN CC(C)C[C@H](O)c1ncccn1 37465807 351468760 /nfs/dbraw/zinc/46/87/60/351468760.db2.gz AJBHSWOIOXIGSF-QMMMGPOBSA-N 0 0 166.224 1.556 10 0 ADAERN CC(C)C[C@H](O)c1cnccn1 37465690 351468769 /nfs/dbraw/zinc/46/87/69/351468769.db2.gz BTCCBRXHJCZYPS-VIFPVBQESA-N 0 0 166.224 1.556 10 0 ADAERN CC(C)C[C@H](O)C1CC1 37465562 351468837 /nfs/dbraw/zinc/46/88/37/351468837.db2.gz RONSJYZQZFKBAJ-QMMMGPOBSA-N 0 0 128.215 1.803 10 0 ADAERN CC(C)C[C@@H](O)c1cnccn1 37465692 351469011 /nfs/dbraw/zinc/46/90/11/351469011.db2.gz BTCCBRXHJCZYPS-SECBINFHSA-N 0 0 166.224 1.556 10 0 ADAERN CC(C)C[C@@H](O)C1CC1 37465564 351469152 /nfs/dbraw/zinc/46/91/52/351469152.db2.gz RONSJYZQZFKBAJ-MRVPVSSYSA-N 0 0 128.215 1.803 10 0 ADAERN O[C@@H](c1cnccn1)C1CCCC1 37465686 351469171 /nfs/dbraw/zinc/46/91/71/351469171.db2.gz QYEBWJIVYKBAFO-SNVBAGLBSA-N 0 0 178.235 1.700 10 0 ADAERN CC[C@@H](C)Nc1ccn(C)n1 37471871 351469191 /nfs/dbraw/zinc/46/91/91/351469191.db2.gz ZSVXZDFFWVDGCW-SSDOTTSWSA-N 0 0 153.229 1.631 10 0 ADAERN O[C@H]1CCCC[C@@H]1Sc1nc[nH]n1 37491032 351469703 /nfs/dbraw/zinc/46/97/03/351469703.db2.gz FCCLFKCEFSFHEV-BQBZGAKWSA-N 0 0 199.279 1.200 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Sc1nc[nH]n1 37491034 351469973 /nfs/dbraw/zinc/46/99/73/351469973.db2.gz FCCLFKCEFSFHEV-RQJHMYQMSA-N 0 0 199.279 1.200 10 0 ADAERN O[C@@H]1CCCC[C@H]1Sc1nc[nH]n1 37491033 351469996 /nfs/dbraw/zinc/46/99/96/351469996.db2.gz FCCLFKCEFSFHEV-RNFRBKRXSA-N 0 0 199.279 1.200 10 0 ADAERN O[C@@H]1CCC[C@H]1Sc1ncccn1 37489801 351470019 /nfs/dbraw/zinc/47/00/19/351470019.db2.gz XDMJUZJAGMDWPT-HTQZYQBOSA-N 0 0 196.275 1.482 10 0 ADAERN O[C@H]1CCCC[C@H]1Sc1nc[nH]n1 37491031 351470032 /nfs/dbraw/zinc/47/00/32/351470032.db2.gz FCCLFKCEFSFHEV-NKWVEPMBSA-N 0 0 199.279 1.200 10 0 ADAERN Oc1ccccc1Oc1ncccn1 37674561 351470610 /nfs/dbraw/zinc/47/06/10/351470610.db2.gz JYAQDVKEZQZRNB-UHFFFAOYSA-N 0 0 188.186 1.975 10 0 ADAERN CC(C)(O)CSc1ncccc1N 37692445 351471726 /nfs/dbraw/zinc/47/17/26/351471726.db2.gz JWARTOOWMCGZFA-UHFFFAOYSA-N 0 0 198.291 1.527 10 0 ADAERN C[C@@H]1Cc2ccc(N)cc2N1 37632695 351471035 /nfs/dbraw/zinc/47/10/35/351471035.db2.gz SVLIYUWVAZNKJY-ZCFIWIBFSA-N 0 0 148.209 1.625 10 0 ADAERN OCC[C@H]1C=CCCC1 37625731 351471301 /nfs/dbraw/zinc/47/13/01/351471301.db2.gz NXKMMWGHYIZNSK-QMMMGPOBSA-N 0 0 126.199 1.725 10 0 ADAERN Oc1ccc(-c2cccnc2)nc1 37626000 351471322 /nfs/dbraw/zinc/47/13/22/351471322.db2.gz SRKDFVGCOILAQC-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN CC(C)(O)COc1cccc(F)c1 37695840 351471724 /nfs/dbraw/zinc/47/17/24/351471724.db2.gz QIJDPAXLLFZOBK-UHFFFAOYSA-N 0 0 184.210 1.975 10 0 ADAERN CC(C)(O)CSc1ccncc1N 37692444 351471757 /nfs/dbraw/zinc/47/17/57/351471757.db2.gz TVEKIHJCZANWTH-UHFFFAOYSA-N 0 0 198.291 1.527 10 0 ADAERN CC(C)(O)CSc1ccc(N)cn1 37692446 351471924 /nfs/dbraw/zinc/47/19/24/351471924.db2.gz GUGLUJVSYFGTAQ-UHFFFAOYSA-N 0 0 198.291 1.527 10 0 ADAERN CC[C@@H](C)c1csc(=O)[nH]1 37745474 351472843 /nfs/dbraw/zinc/47/28/43/351472843.db2.gz PIZCVIBVLBASBU-RXMQYKEDSA-N 0 0 157.238 1.950 10 0 ADAERN CC[C@@H](C)[C@@]1(C)CC(=O)NC1=O 37745470 351473053 /nfs/dbraw/zinc/47/30/53/351473053.db2.gz QQKLUMHLIGTVPP-HZGVNTEJSA-N 0 0 169.224 1.085 10 0 ADAERN CC[C@@H](C)[C@]1(C)CC(=O)NC1=O 37745468 351473190 /nfs/dbraw/zinc/47/31/90/351473190.db2.gz QQKLUMHLIGTVPP-MUWHJKNJSA-N 0 0 169.224 1.085 10 0 ADAERN CC[C@@H](C)Nc1ccc(=O)n(C)c1 37785538 351474003 /nfs/dbraw/zinc/47/40/03/351474003.db2.gz AUMZTDMLXZQTAV-MRVPVSSYSA-N 0 0 180.251 1.596 10 0 ADAERN CC[C@]1(C(C)C)CC(=O)NC1=O 37755194 351474060 /nfs/dbraw/zinc/47/40/60/351474060.db2.gz NPNQMKYJGWLQTL-SECBINFHSA-N 0 0 169.224 1.085 10 0 ADAERN CC(C)CNc1ccc(=O)n(C)c1 37785454 351474065 /nfs/dbraw/zinc/47/40/65/351474065.db2.gz GNWUALQTZFHFBA-UHFFFAOYSA-N 0 0 180.251 1.453 10 0 ADAERN OC1(c2cccnc2)CCCC1 37761228 351474090 /nfs/dbraw/zinc/47/40/90/351474090.db2.gz NLLHHCKIZSPZAR-UHFFFAOYSA-N 0 0 163.220 1.843 10 0 ADAERN CC[C@@]1(C(C)C)CC(=O)NC1=O 37755195 351474138 /nfs/dbraw/zinc/47/41/38/351474138.db2.gz NPNQMKYJGWLQTL-VIFPVBQESA-N 0 0 169.224 1.085 10 0 ADAERN C[C@@H]1CCCN1c1ccc(N)nc1 37910003 351475392 /nfs/dbraw/zinc/47/53/92/351475392.db2.gz JZBDFFAYGDYTLH-MRVPVSSYSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@@H]1CCCN1c1ccc(N)cn1 37910201 351475509 /nfs/dbraw/zinc/47/55/09/351475509.db2.gz SFCONMAHTSDOCD-MRVPVSSYSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@@H]1CCCN1c1n[nH]c(=S)n1C 37911932 351475601 /nfs/dbraw/zinc/47/56/01/351475601.db2.gz PPFXCWPTRCYTGB-ZCFIWIBFSA-N 0 0 198.295 1.466 10 0 ADAERN CC(C)(Nc1cccc(F)c1)C(N)=O 37944971 351476870 /nfs/dbraw/zinc/47/68/70/351476870.db2.gz VFMRFIFZDQFPKV-UHFFFAOYSA-N 0 0 196.225 1.502 10 0 ADAERN O=Cc1csc(-c2cnccn2)n1 37974050 351477129 /nfs/dbraw/zinc/47/71/29/351477129.db2.gz XEOHVQJZUHHZGN-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN C[C@@H]1CCCN1c1ncccc1N 38000065 351477683 /nfs/dbraw/zinc/47/76/83/351477683.db2.gz VTFMQQPMERFMHE-MRVPVSSYSA-N 0 0 177.251 1.653 10 0 ADAERN c1ccc(NCc2cn[nH]c2)nc1 38006630 351477830 /nfs/dbraw/zinc/47/78/30/351477830.db2.gz ZBSAAZPXRAHRPV-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN CCOc1nc(SC)ccc1N 38063467 351478393 /nfs/dbraw/zinc/47/83/93/351478393.db2.gz NYZNHERDUDBDKR-UHFFFAOYSA-N 0 0 184.264 1.784 10 0 ADAERN CC(C)(O)COc1ccccc1N 38056100 351478423 /nfs/dbraw/zinc/47/84/23/351478423.db2.gz JGZKWKDUIZWUKW-UHFFFAOYSA-N 0 0 181.235 1.419 10 0 ADAERN c1coc(CNCc2cn[nH]c2)c1 38005655 351478485 /nfs/dbraw/zinc/47/84/85/351478485.db2.gz YIDHZNSILCHPLR-UHFFFAOYSA-N 0 0 177.207 1.293 10 0 ADAERN C[C@@H](c1ccc(O)cc1)N(C)C=O 38090272 351478960 /nfs/dbraw/zinc/47/89/60/351478960.db2.gz NEOLJQSNPKHSIC-QMMMGPOBSA-N 0 0 179.219 1.541 10 0 ADAERN CCOC(=O)Cc1nc(C2CC2)no1 38271520 351479792 /nfs/dbraw/zinc/47/97/92/351479792.db2.gz QQMHSZRJZCQTDW-UHFFFAOYSA-N 0 0 196.206 1.053 10 0 ADAERN O=c1ccc(Cc2ccccc2)c[nH]1 38220700 351480086 /nfs/dbraw/zinc/48/00/86/351480086.db2.gz WECQSSBRKCRJLF-UHFFFAOYSA-N 0 0 185.226 1.966 10 0 ADAERN C[C@@H]1CC(=O)OC1(C)C 38312137 351480168 /nfs/dbraw/zinc/48/01/68/351480168.db2.gz WLRGENJWPWBOMS-RXMQYKEDSA-N 0 0 128.171 1.348 10 0 ADAERN O=CC1=NCSC1=S 39061512 351487159 /nfs/dbraw/zinc/48/71/59/351487159.db2.gz UMLBKSPVRXCESR-UHFFFAOYSA-N 0 0 145.208 1.244 10 0 ADAERN O=Nc1ccc(CNO)cc1 38433770 351481063 /nfs/dbraw/zinc/48/10/63/351481063.db2.gz KZHMRBOAWDOXAA-UHFFFAOYSA-N 0 0 152.153 1.563 10 0 ADAERN c1cnc(-c2ccco2)nc1 38324800 351481118 /nfs/dbraw/zinc/48/11/18/351481118.db2.gz LKQWUJWBYVAURT-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN C[C@@H]1COC(=O)[C@H](C)C1 38362826 351481474 /nfs/dbraw/zinc/48/14/74/351481474.db2.gz BNTVLKCRDTXUOL-NTSWFWBYSA-N 0 0 128.171 1.206 10 0 ADAERN CCOc1cccc(N)c1C(=O)OC 39082876 351490702 /nfs/dbraw/zinc/49/07/02/351490702.db2.gz PIFHLLDCWYBVKB-UHFFFAOYSA-N 0 0 195.218 1.454 10 0 ADAERN CC(C)C(=O)c1ncc[nH]1 38582238 351481803 /nfs/dbraw/zinc/48/18/03/351481803.db2.gz HBDVCNKWDFBDQP-UHFFFAOYSA-N 0 0 138.170 1.248 10 0 ADAERN CC(=O)Nc1cccc(N)c1Cl 38540038 351481815 /nfs/dbraw/zinc/48/18/15/351481815.db2.gz XCWGRVKYTSICSJ-UHFFFAOYSA-N 0 0 184.626 1.881 10 0 ADAERN OCC[C@@H](O)c1ccc(Cl)cc1 38523515 351481852 /nfs/dbraw/zinc/48/18/52/351481852.db2.gz LXYVQNOBTVGBGC-SECBINFHSA-N 0 0 186.638 1.756 10 0 ADAERN c1ncc2scnc2n1 38582232 351481989 /nfs/dbraw/zinc/48/19/89/351481989.db2.gz YWBULOYFCXZCGF-UHFFFAOYSA-N 0 0 137.167 1.086 10 0 ADAERN OCC[C@H](O)c1ccc(Cl)cc1 38523516 351482118 /nfs/dbraw/zinc/48/21/18/351482118.db2.gz LXYVQNOBTVGBGC-VIFPVBQESA-N 0 0 186.638 1.756 10 0 ADAERN OCCCc1ccccc1CO 38810175 351483041 /nfs/dbraw/zinc/48/30/41/351483041.db2.gz VCSQSPVHFDOWER-UHFFFAOYSA-N 0 0 166.220 1.104 10 0 ADAERN O[C@@H](c1ccccc1)c1ccncn1 38810515 351483464 /nfs/dbraw/zinc/48/34/64/351483464.db2.gz JZXUAUQTYUKCHI-NSHDSACASA-N 0 0 186.214 1.558 10 0 ADAERN CC(C)COc1cnccn1 38645381 351483493 /nfs/dbraw/zinc/48/34/93/351483493.db2.gz QTGLHXAZBOTUIJ-UHFFFAOYSA-N 0 0 152.197 1.511 10 0 endogenous,in-man ADAERN OCc1cccc(C2OCCCO2)c1 38672429 351483514 /nfs/dbraw/zinc/48/35/14/351483514.db2.gz HORPKZDGZYMCSW-UHFFFAOYSA-N 0 0 194.230 1.614 10 0 ADAERN O=Cc1c(CO)oc2ccccc12 38888528 351484083 /nfs/dbraw/zinc/48/40/83/351484083.db2.gz ANWZNJDMFVXBNF-UHFFFAOYSA-N 0 0 176.171 1.738 10 0 ADAERN O=c1[nH]ccn1-c1ccc(F)cc1 38949837 351484206 /nfs/dbraw/zinc/48/42/06/351484206.db2.gz RXYOCHHQYYIEIB-UHFFFAOYSA-N 0 0 178.166 1.305 10 0 ADAERN O=c1cc2cccccc-2[nH]1 38886294 351484243 /nfs/dbraw/zinc/48/42/43/351484243.db2.gz ZXPAGXNMNWIWFD-UHFFFAOYSA-N 0 0 145.161 1.480 10 0 ADAERN ONCc1ccc2ccccc2n1 38973362 351484318 /nfs/dbraw/zinc/48/43/18/351484318.db2.gz VPPCTGDXVJUQHB-UHFFFAOYSA-N 0 0 174.203 1.714 10 0 ADAERN O=Cc1nccc2ccoc12 39050942 351484732 /nfs/dbraw/zinc/48/47/32/351484732.db2.gz YSPMUDDVHSRIML-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN c1cc([C@@H]2CCNO2)ccn1 39051596 351484776 /nfs/dbraw/zinc/48/47/76/351484776.db2.gz FGHMPXHKKGUXHJ-QMMMGPOBSA-N 0 0 150.181 1.048 10 0 ADAERN S=Nc1cccnc1 39051270 351484859 /nfs/dbraw/zinc/48/48/59/351484859.db2.gz FERAYYUQQNXMSX-UHFFFAOYSA-N 0 0 124.168 1.444 10 0 ADAERN O=Cc1c[nH]c(-c2ccncc2)n1 39038573 351484873 /nfs/dbraw/zinc/48/48/73/351484873.db2.gz LYPJSZCDOMJXFU-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN O=Cc1c[nH]c(-c2ccsc2)n1 39038689 351484904 /nfs/dbraw/zinc/48/49/04/351484904.db2.gz QPOBTOFOWJILEC-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN O=c1[nH]cnc2c1Cc1ccccc1-2 39038861 351484939 /nfs/dbraw/zinc/48/49/39/351484939.db2.gz MZXWRSBOVARRRS-UHFFFAOYSA-N 0 0 184.198 1.341 10 0 ADAERN O[C@@H]1C=Cc2cccnc2C1 39051217 351485012 /nfs/dbraw/zinc/48/50/12/351485012.db2.gz AQOBMRBOPVVFSU-MRVPVSSYSA-N 0 0 147.177 1.012 10 0 ADAERN O[C@H]1C=Cc2cccnc2C1 39051219 351485037 /nfs/dbraw/zinc/48/50/37/351485037.db2.gz AQOBMRBOPVVFSU-QMMMGPOBSA-N 0 0 147.177 1.012 10 0 ADAERN OCc1cc2cccnc2o1 39051201 351485071 /nfs/dbraw/zinc/48/50/71/351485071.db2.gz BEYSBHZFXHZFDI-UHFFFAOYSA-N 0 0 149.149 1.320 10 0 ADAERN c1cc2csnc2cn1 39051382 351485094 /nfs/dbraw/zinc/48/50/94/351485094.db2.gz PREKPWFDPHXZSC-UHFFFAOYSA-N 0 0 136.179 1.691 10 0 ADAERN c1cc([C@H]2CCNO2)ccn1 39051598 351485142 /nfs/dbraw/zinc/48/51/42/351485142.db2.gz FGHMPXHKKGUXHJ-MRVPVSSYSA-N 0 0 150.181 1.048 10 0 ADAERN O=Cc1nccc2occc12 38995595 351485159 /nfs/dbraw/zinc/48/51/59/351485159.db2.gz XQSYNBSZCZZVFM-UHFFFAOYSA-N 0 0 147.133 1.640 10 0 ADAERN OCc1cc2ccncc2o1 39051202 351485164 /nfs/dbraw/zinc/48/51/64/351485164.db2.gz WBALOZJCRRNXRJ-UHFFFAOYSA-N 0 0 149.149 1.320 10 0 ADAERN O[C@H]1C=Cc2ncccc2C1 39051221 351485168 /nfs/dbraw/zinc/48/51/68/351485168.db2.gz PMXFLGPJLVIVHR-QMMMGPOBSA-N 0 0 147.177 1.012 10 0 ADAERN c1cnc2nnsc2c1 39051121 351485191 /nfs/dbraw/zinc/48/51/91/351485191.db2.gz GNXPUXGOQIHJLJ-UHFFFAOYSA-N 0 0 137.167 1.086 10 0 ADAERN OCc1ccc2c(n1)CCC2 39050764 351485244 /nfs/dbraw/zinc/48/52/44/351485244.db2.gz PQGUESFONGZCDW-UHFFFAOYSA-N 0 0 149.193 1.063 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccccn1 39051509 351485257 /nfs/dbraw/zinc/48/52/57/351485257.db2.gz RUOXJEYBRHDREV-VXNVDRBHSA-N 0 0 149.193 1.309 10 0 ADAERN CCOc1cncc(F)c1 39050586 351485267 /nfs/dbraw/zinc/48/52/67/351485267.db2.gz WACLZSSJPMEZTL-UHFFFAOYSA-N 0 0 141.145 1.619 10 0 ADAERN O=Nc1c[nH]ccc1=O 39051114 351485302 /nfs/dbraw/zinc/48/53/02/351485302.db2.gz CGECAFDRWNIVQO-UHFFFAOYSA-N 0 0 124.099 1.185 10 0 ADAERN c1ncc2sncc2n1 39053664 351485774 /nfs/dbraw/zinc/48/57/74/351485774.db2.gz OPADCMQOUIZWKV-UHFFFAOYSA-N 0 0 137.167 1.086 10 0 ADAERN CCOCc1cncnc1 39053420 351485770 /nfs/dbraw/zinc/48/57/70/351485770.db2.gz FDTLMSYLXUFXDX-UHFFFAOYSA-N 0 0 138.170 1.013 10 0 ADAERN c1coc(-c2cncnc2)c1 39053028 351485784 /nfs/dbraw/zinc/48/57/84/351485784.db2.gz SIPOYUWCPURHBA-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN CCSc1ccncn1 39053646 351485827 /nfs/dbraw/zinc/48/58/27/351485827.db2.gz PMDXLTRPJKVXLA-UHFFFAOYSA-N 0 0 140.211 1.589 10 0 ADAERN c1ncc2ccoc2n1 39053834 351485885 /nfs/dbraw/zinc/48/58/85/351485885.db2.gz KQGXYVJZOMKLSA-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN O=Nc1nc2cncnc2o1 39052492 351485957 /nfs/dbraw/zinc/48/59/57/351485957.db2.gz TWQIXMCTSZDDII-UHFFFAOYSA-N 0 0 150.097 1.016 10 0 ADAERN c1ncc(-c2ccoc2)cn1 39052179 351485961 /nfs/dbraw/zinc/48/59/61/351485961.db2.gz ZSSGSLKYCKZXOD-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN CCOc1nccc(C)n1 39053554 351485964 /nfs/dbraw/zinc/48/59/64/351485964.db2.gz IPXQGBTVHWZGQC-UHFFFAOYSA-N 0 0 138.170 1.184 10 0 ADAERN OCc1nccc2occc12 39051801 351485980 /nfs/dbraw/zinc/48/59/80/351485980.db2.gz LNVUJUBXDZDIID-UHFFFAOYSA-N 0 0 149.149 1.320 10 0 ADAERN O=Nc1ncc2ccoc2n1 39052490 351485986 /nfs/dbraw/zinc/48/59/86/351485986.db2.gz NIFKELCPMXBOGV-UHFFFAOYSA-N 0 0 149.109 1.621 10 0 ADAERN c1ncc2csnc2n1 39053616 351486029 /nfs/dbraw/zinc/48/60/29/351486029.db2.gz VFMVVXVPVYXTJB-UHFFFAOYSA-N 0 0 137.167 1.086 10 0 ADAERN c1cc2c(cn1)SCC2 39051798 351486085 /nfs/dbraw/zinc/48/60/85/351486085.db2.gz SJNUXEAPCYTTDZ-UHFFFAOYSA-N 0 0 137.207 1.730 10 0 ADAERN c1ncc2cnsc2n1 39053828 351486137 /nfs/dbraw/zinc/48/61/37/351486137.db2.gz BSLNVIXQUMUPDF-UHFFFAOYSA-N 0 0 137.167 1.086 10 0 ADAERN c1ncc2nscc2n1 39053662 351486124 /nfs/dbraw/zinc/48/61/24/351486124.db2.gz MHIJLPSBYNTMDQ-UHFFFAOYSA-N 0 0 137.167 1.086 10 0 ADAERN Oc1cnc(CC2CC2)nc1 39052865 351486144 /nfs/dbraw/zinc/48/61/44/351486144.db2.gz VZUNCACQBGQRMR-UHFFFAOYSA-N 0 0 150.181 1.135 10 0 ADAERN C[C@@H]1CCCN(C(=O)CF)C1 39054761 351486241 /nfs/dbraw/zinc/48/62/41/351486241.db2.gz MRKGRVQTBMLGRO-SSDOTTSWSA-N 0 0 159.204 1.214 10 0 ADAERN O=Nc1cccc(CO)c1O 39062392 351486747 /nfs/dbraw/zinc/48/67/47/351486747.db2.gz YPKCRIONIOAEMZ-UHFFFAOYSA-N 0 0 153.137 1.282 10 0 ADAERN C[C@@H]1CCN(C=O)[C@H](C)C1 39060965 351486756 /nfs/dbraw/zinc/48/67/56/351486756.db2.gz WISZAJDRAPSELZ-HTQZYQBOSA-N 0 0 141.214 1.263 10 0 ADAERN Oc1cc(O)c2cocc2c1 39059166 351486801 /nfs/dbraw/zinc/48/68/01/351486801.db2.gz VFJHDXXCGLXOCO-UHFFFAOYSA-N 0 0 150.133 1.844 10 0 ADAERN O=C1C=Cc2cccn2CC1 39059009 351486872 /nfs/dbraw/zinc/48/68/72/351486872.db2.gz IWGBRFSPIOLKTM-UHFFFAOYSA-N 0 0 147.177 1.957 10 0 ADAERN C[C@@H]1CCC[C@](O)(CO)[C@@H]1C 39060099 351486894 /nfs/dbraw/zinc/48/68/94/351486894.db2.gz YYEFRQQDKDAFOS-HLTSFMKQSA-N 0 0 158.241 1.166 10 0 ADAERN O=Cc1cn2cncc2s1 39062295 351486899 /nfs/dbraw/zinc/48/68/99/351486899.db2.gz DDSDMSXABUHNKG-UHFFFAOYSA-N 0 0 152.178 1.208 10 0 ADAERN O=Cc1ccc2c(c1)OCC=C2 39060512 351486945 /nfs/dbraw/zinc/48/69/45/351486945.db2.gz MQHBXDXRZFARJR-UHFFFAOYSA-N 0 0 160.172 1.905 10 0 ADAERN O=C1COc2ccccc2O1 39059185 351487006 /nfs/dbraw/zinc/48/70/06/351487006.db2.gz ASTGEVBNDIEBMU-UHFFFAOYSA-N 0 0 150.133 1.815 10 0 ADAERN C[C@@H]1CCC[C@@](O)(CO)[C@@H]1C 39060103 351487025 /nfs/dbraw/zinc/48/70/25/351487025.db2.gz YYEFRQQDKDAFOS-IWSPIJDZSA-N 0 0 158.241 1.166 10 0 ADAERN O=Cc1ncc2n1CCCC2 39061948 351487108 /nfs/dbraw/zinc/48/71/08/351487108.db2.gz IKFGDYBQIWCSHH-UHFFFAOYSA-N 0 0 150.181 1.032 10 0 ADAERN C[C@@H](O)c1cccc(F)c1O 39059734 351487192 /nfs/dbraw/zinc/48/71/92/351487192.db2.gz UUEPKPLTSBUURA-RXMQYKEDSA-N 0 0 156.156 1.585 10 0 ADAERN O=Nc1ccc(O)cc1CO 39067764 351487735 /nfs/dbraw/zinc/48/77/35/351487735.db2.gz GGOLBXYMRAWBID-UHFFFAOYSA-N 0 0 153.137 1.282 10 0 ADAERN CCOCn1cccc1 39073812 351487878 /nfs/dbraw/zinc/48/78/78/351487878.db2.gz JGIGAEVBXRTHLX-UHFFFAOYSA-N 0 0 125.171 1.482 10 0 ADAERN C[C@@H](O)c1cccc(NC=O)c1 39071703 351487883 /nfs/dbraw/zinc/48/78/83/351487883.db2.gz CBRCYKCGVGLTIP-SSDOTTSWSA-N 0 0 165.192 1.308 10 0 ADAERN CC1=CC=CC2=[NH+]CCN12 39078076 351488397 /nfs/dbraw/zinc/48/83/97/351488397.db2.gz QXLQADGVGZEODD-UHFFFAOYSA-N 0 0 134.182 1.174 10 0 ADAERN CCCN(C=S)CC 39077934 351488492 /nfs/dbraw/zinc/48/84/92/351488492.db2.gz NAXSBSJODLRIMB-UHFFFAOYSA-N 0 0 131.244 1.676 10 0 ADAERN C[C@@H]1CC=Nc2nccn21 39078179 351488549 /nfs/dbraw/zinc/48/85/49/351488549.db2.gz IHGBZDUTWZYSBK-ZCFIWIBFSA-N 0 0 135.170 1.550 10 0 ADAERN C[C@@H]1C=Nc2nccn2C1 39078182 351488598 /nfs/dbraw/zinc/48/85/98/351488598.db2.gz PLVHXJWLJJKZAG-ZCFIWIBFSA-N 0 0 135.170 1.235 10 0 ADAERN Cc1cc2cnccn2c1 39077971 351488756 /nfs/dbraw/zinc/48/87/56/351488756.db2.gz DGZYEJNNAMDYJB-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN Cc1cc2ncccn2c1 39077992 351488774 /nfs/dbraw/zinc/48/87/74/351488774.db2.gz VTBJXDNYMFCEFS-UHFFFAOYSA-N 0 0 132.166 1.643 10 0 ADAERN c1cc2sc3c(n2c1)C3 39078163 351488984 /nfs/dbraw/zinc/48/89/84/351488984.db2.gz FYGIODNPZWCBHH-UHFFFAOYSA-N 0 0 135.191 1.905 10 0 ADAERN C[C@@H]1CCC[C@H](NC=O)[C@@H]1C 39090786 351490113 /nfs/dbraw/zinc/49/01/13/351490113.db2.gz RHTIPPUDAZPLQO-HLTSFMKQSA-N 0 0 155.241 1.557 10 0 ADAERN CCOc1ccc2nsnc2c1N 39090554 351490194 /nfs/dbraw/zinc/49/01/94/351490194.db2.gz PXIJZARKDNBYSD-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN CCO[C@H](C)Oc1ccsn1 39089840 351490253 /nfs/dbraw/zinc/49/02/53/351490253.db2.gz BDNAMAJQFXEONV-LURJTMIESA-N 0 0 173.237 1.904 10 0 ADAERN CCO[C@@H]1Nc2ccccc2O1 39089556 351490283 /nfs/dbraw/zinc/49/02/83/351490283.db2.gz YJACKRBKHHUABV-VIFPVBQESA-N 0 0 165.192 1.811 10 0 ADAERN CCOc1c(C)nc2cnccn12 39089976 351490301 /nfs/dbraw/zinc/49/03/01/351490301.db2.gz MCLXYXHZHRETLQ-UHFFFAOYSA-N 0 0 177.207 1.436 10 0 ADAERN CCO[C@H]1Nc2ccccc2O1 39089557 351490322 /nfs/dbraw/zinc/49/03/22/351490322.db2.gz YJACKRBKHHUABV-SECBINFHSA-N 0 0 165.192 1.811 10 0 ADAERN CCOc1cccc(OC)c1N 39089642 351490423 /nfs/dbraw/zinc/49/04/23/351490423.db2.gz GRIZOQWCMPOSMR-UHFFFAOYSA-N 0 0 167.208 1.676 10 0 ADAERN O=Cc1c(F)ccc2c1NCC2 39088212 351490479 /nfs/dbraw/zinc/49/04/79/351490479.db2.gz VNNHXHBENGTRGM-UHFFFAOYSA-N 0 0 165.167 1.606 10 0 ADAERN OCCCc1ccc(F)nc1 39088640 351490555 /nfs/dbraw/zinc/49/05/55/351490555.db2.gz YDTKCTBHLZAZMX-UHFFFAOYSA-N 0 0 155.172 1.146 10 0 ADAERN ONc1ccc(F)c(F)c1F 39089034 351490562 /nfs/dbraw/zinc/49/05/62/351490562.db2.gz ILAXSPNTLUERFX-UHFFFAOYSA-N 0 0 163.098 1.905 10 0 ADAERN CCO[C@@H](C)Oc1ccsn1 39089839 351490572 /nfs/dbraw/zinc/49/05/72/351490572.db2.gz BDNAMAJQFXEONV-ZCFIWIBFSA-N 0 0 173.237 1.904 10 0 ADAERN C[C@@H]1CCC[C@@H](NC=O)[C@@H]1C 39090788 351490584 /nfs/dbraw/zinc/49/05/84/351490584.db2.gz RHTIPPUDAZPLQO-IWSPIJDZSA-N 0 0 155.241 1.557 10 0 ADAERN CCO[C@H]1C=CN(C(=O)OC)CC1 39090165 351490612 /nfs/dbraw/zinc/49/06/12/351490612.db2.gz CMMWUCMDKJTVRH-QMMMGPOBSA-N 0 0 185.223 1.377 10 0 ADAERN ONc1cc(F)c(F)c(F)c1 39089032 351490679 /nfs/dbraw/zinc/49/06/79/351490679.db2.gz ZDQLVUDVOASJSQ-UHFFFAOYSA-N 0 0 163.098 1.905 10 0 ADAERN C[C@@H](O)c1ccc(O)cc1F 39088687 351490688 /nfs/dbraw/zinc/49/06/88/351490688.db2.gz QCTBLRREIFDKIJ-RXMQYKEDSA-N 0 0 156.156 1.585 10 0 ADAERN Oc1cc(O)c(F)c(F)c1 39088243 351490706 /nfs/dbraw/zinc/49/07/06/351490706.db2.gz ZWICCAFHLJMUCC-UHFFFAOYSA-N 0 0 146.092 1.376 10 0 ADAERN CCOc1ccc(N)c(CO)c1 39089599 351490748 /nfs/dbraw/zinc/49/07/48/351490748.db2.gz NFEMNXFVKQCFHJ-UHFFFAOYSA-N 0 0 167.208 1.160 10 0 ADAERN OCc1ccnc2ccc(O)cc12 39111444 351491020 /nfs/dbraw/zinc/49/10/20/351491020.db2.gz RXRFVTSXOVOEMU-UHFFFAOYSA-N 0 0 175.187 1.433 10 0 ADAERN C[C@@H]1C[C@H]2CCC[C@@H]2OC1=O 39111663 351491028 /nfs/dbraw/zinc/49/10/28/351491028.db2.gz WGGIQUPRNHXWQO-PRJMDXOYSA-N 0 0 154.209 1.738 10 0 ADAERN c1nc2oncc2c2c[nH]cc12 39113033 351491199 /nfs/dbraw/zinc/49/11/99/351491199.db2.gz IHJLTXDXFDPGSP-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN OC[C@@H]1CCCC12SCCS2 39112083 351491203 /nfs/dbraw/zinc/49/12/03/351491203.db2.gz DGKDZZZHZXDULC-ZETCQYMHSA-N 0 0 190.333 1.955 10 0 ADAERN C[C@@H]1CC[C@]2(CNC(=O)C2)C1 39111612 351491412 /nfs/dbraw/zinc/49/14/12/351491412.db2.gz GBLKZMJRCGZIJB-APPZFPTMSA-N 0 0 153.225 1.313 10 0 ADAERN C[C@@H]1C[C@@H]2CCC[C@@H]2OC1=O 39111661 351491470 /nfs/dbraw/zinc/49/14/70/351491470.db2.gz WGGIQUPRNHXWQO-CSMHCCOUSA-N 0 0 154.209 1.738 10 0 ADAERN c1cc2c3[nH]c(cnc1-3)C2 39094930 351491473 /nfs/dbraw/zinc/49/14/73/351491473.db2.gz HJNSLOATMNQUGH-UHFFFAOYSA-N 0 0 130.150 1.419 10 0 ADAERN CC(C)C1CSC(=N)N=N1 39103464 351491531 /nfs/dbraw/zinc/49/15/31/351491531.db2.gz NMMQOMDIWHPVQC-UHFFFAOYSA-N 0 0 157.242 1.060 10 0 ADAERN C[C@@H]1C[C@@H](C)CC2(CNC(=O)O2)C1 39094483 351491645 /nfs/dbraw/zinc/49/16/45/351491645.db2.gz QIFKTBCHACJLLW-HTQZYQBOSA-N 0 0 183.251 1.921 10 0 ADAERN C[C@@H]1CC[C@@]2(CNC(=O)C2)C1 39111611 351491699 /nfs/dbraw/zinc/49/16/99/351491699.db2.gz GBLKZMJRCGZIJB-VXNVDRBHSA-N 0 0 153.225 1.313 10 0 ADAERN c1ccc2c(c1)NCc1cncn1-2 39113734 351492280 /nfs/dbraw/zinc/49/22/80/351492280.db2.gz GZGCTIXIODMQIE-UHFFFAOYSA-N 0 0 171.203 1.798 10 0 ADAERN C[C@@H]1O[C@H](C)c2nccnc21 39113430 351492466 /nfs/dbraw/zinc/49/24/66/351492466.db2.gz YCFSXCYRDVVWBU-OLQVQODUSA-N 0 0 150.181 1.629 10 0 ADAERN C[C@@H]1Nc2ccc(N)cc2NC1=O 39114081 351492530 /nfs/dbraw/zinc/49/25/30/351492530.db2.gz IGXSHOLMHOPGEQ-YFKPBYRVSA-N 0 0 177.207 1.021 10 0 ADAERN C[C@@H]1O[C@@H](C)c2nccnc21 39113431 351492633 /nfs/dbraw/zinc/49/26/33/351492633.db2.gz YCFSXCYRDVVWBU-WDSKDSINSA-N 0 0 150.181 1.629 10 0 ADAERN OCc1cc([C@H]2CCCO2)no1 39113333 351492684 /nfs/dbraw/zinc/49/26/84/351492684.db2.gz HNLXBZBYRRNHIT-MRVPVSSYSA-N 0 0 169.180 1.018 10 0 ADAERN OCc1cc([C@@H]2CCCO2)no1 39113332 351492705 /nfs/dbraw/zinc/49/27/05/351492705.db2.gz HNLXBZBYRRNHIT-QMMMGPOBSA-N 0 0 169.180 1.018 10 0 ADAERN C[C@@H]1Nc2c(N)cccc2NC1=O 39114072 351492778 /nfs/dbraw/zinc/49/27/78/351492778.db2.gz GYUVGPGKWRYRNT-YFKPBYRVSA-N 0 0 177.207 1.021 10 0 ADAERN c1ccc2c(c1)NCc1nccn1-2 39113737 351492782 /nfs/dbraw/zinc/49/27/82/351492782.db2.gz MFLWIBLSNKMIHW-UHFFFAOYSA-N 0 0 171.203 1.798 10 0 ADAERN CC[C@@H](C)c1c[n+]([O-])c(C)c(C)n1 39114235 351493187 /nfs/dbraw/zinc/49/31/87/351493187.db2.gz HFMLNGVTDQWLQD-SSDOTTSWSA-N 0 0 180.251 1.845 10 0 ADAERN CC(C)=CS(=O)(=O)c1cccnc1 39117080 351493347 /nfs/dbraw/zinc/49/33/47/351493347.db2.gz RSPBEUIGILWDFF-UHFFFAOYSA-N 0 0 197.259 1.779 10 0 ADAERN O=c1[nH]c2ccsc2n2ccnc12 39115454 351493578 /nfs/dbraw/zinc/49/35/78/351493578.db2.gz DFNHRZVUBNTYFD-UHFFFAOYSA-N 0 0 191.215 1.237 10 0 ADAERN CCOc1ncc(C)c(OC)n1 39121148 351493598 /nfs/dbraw/zinc/49/35/98/351493598.db2.gz MHVNYEXUSIQMEM-UHFFFAOYSA-N 0 0 168.196 1.192 10 0 ADAERN CCOc1cc(=O)[nH]c(C2CC2)n1 39121156 351493612 /nfs/dbraw/zinc/49/36/12/351493612.db2.gz TZZYSMUICIXNIV-UHFFFAOYSA-N 0 0 180.207 1.046 10 0 ADAERN O=Cc1c[nH]c(-c2ccco2)n1 39116125 351493635 /nfs/dbraw/zinc/49/36/35/351493635.db2.gz FUSYAUXYLGUDOM-UHFFFAOYSA-N 0 0 162.148 1.482 10 0 ADAERN CC[C@@H](C)c1cnc(C)c(C)[n+]1[O-] 39114233 351493695 /nfs/dbraw/zinc/49/36/95/351493695.db2.gz VWTQSTABRMZWLE-SSDOTTSWSA-N 0 0 180.251 1.845 10 0 ADAERN CCOc1cc(C)nc(OC)n1 39121180 351493733 /nfs/dbraw/zinc/49/37/33/351493733.db2.gz RJHJQMQJHXBFPZ-UHFFFAOYSA-N 0 0 168.196 1.192 10 0 ADAERN c1ccc2c3c(cnc2c1)OCO3 39120816 351493750 /nfs/dbraw/zinc/49/37/50/351493750.db2.gz FLXXAOORYJOLJT-UHFFFAOYSA-N 0 0 173.171 1.964 10 0 ADAERN Oc1ccc2c(c1)NCc1nccn1-2 39115279 351493781 /nfs/dbraw/zinc/49/37/81/351493781.db2.gz HNVUVPWBSNSMTQ-UHFFFAOYSA-N 0 0 187.202 1.503 10 0 ADAERN OCc1ccccc1C1OCCCO1 39120250 351493786 /nfs/dbraw/zinc/49/37/86/351493786.db2.gz YJXIDTKPQFMUCR-UHFFFAOYSA-N 0 0 194.230 1.614 10 0 ADAERN O=Cc1c[nH]c(-c2cccnc2)n1 39116513 351493852 /nfs/dbraw/zinc/49/38/52/351493852.db2.gz FDJLINNUQPJPPX-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN OCCCCCCc1ncccn1 39121039 351493869 /nfs/dbraw/zinc/49/38/69/351493869.db2.gz GLXQBTWGXGPFPK-UHFFFAOYSA-N 0 0 180.251 1.572 10 0 ADAERN CCOc1cc2[nH]ccn2n1 39133825 351494428 /nfs/dbraw/zinc/49/44/28/351494428.db2.gz BIJORHVSVPMJFZ-UHFFFAOYSA-N 0 0 151.169 1.061 10 0 ADAERN c1cc2nonc2c2n[nH]cc12 39133608 351494458 /nfs/dbraw/zinc/49/44/58/351494458.db2.gz APSBTYDVVXQSGO-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN OCCCc1ccc2nccnc2c1 39121579 351494551 /nfs/dbraw/zinc/49/45/51/351494551.db2.gz ALIMTHYRZKIQAY-UHFFFAOYSA-N 0 0 188.230 1.555 10 0 ADAERN OCCCC(=S)N1CCCC1 39124586 351494559 /nfs/dbraw/zinc/49/45/59/351494559.db2.gz YASPBFMJTQTYKA-UHFFFAOYSA-N 0 0 173.281 1.182 10 0 ADAERN CC(C)C(=O)[C@@]1(Cl)O[C@@H]1C 39127839 351494613 /nfs/dbraw/zinc/49/46/13/351494613.db2.gz DYEOJQZIHRQYQU-VDTYLAMSSA-N 0 0 162.616 1.565 10 0 ADAERN O=c1[nH]c2c([nH]1)-c1ccccc1C2 39133222 351494652 /nfs/dbraw/zinc/49/46/52/351494652.db2.gz AZPSZGVUOVYXSO-UHFFFAOYSA-N 0 0 172.187 1.274 10 0 ADAERN Oc1ccccc1Cc1c[nH]cn1 39132761 351494691 /nfs/dbraw/zinc/49/46/91/351494691.db2.gz NNCIUGCUUXBOSQ-UHFFFAOYSA-N 0 0 174.203 1.706 10 0 ADAERN CC(C)C(=O)[C@@]1(Cl)O[C@H]1C 39127841 351494745 /nfs/dbraw/zinc/49/47/45/351494745.db2.gz DYEOJQZIHRQYQU-FSPLSTOPSA-N 0 0 162.616 1.565 10 0 ADAERN CC(C)C(=O)[C@]1(Cl)O[C@H]1C 39127837 351494762 /nfs/dbraw/zinc/49/47/62/351494762.db2.gz DYEOJQZIHRQYQU-CAHLUQPWSA-N 0 0 162.616 1.565 10 0 ADAERN c1nc2ncc3c[nH]ccc3c2n1 39133289 351494766 /nfs/dbraw/zinc/49/47/66/351494766.db2.gz AGMQKOWKWHUGJS-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN c1cc2nc3oncc3cc2[nH]1 39123938 351494810 /nfs/dbraw/zinc/49/48/10/351494810.db2.gz PFNFDRXMFNOMIG-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1ncc2cc3[nH]onc3cc12 39133610 351494887 /nfs/dbraw/zinc/49/48/87/351494887.db2.gz FDYAIJBGZDKFKV-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN O=Cc1cc(O)cc(O)c1F 39125439 351494919 /nfs/dbraw/zinc/49/49/19/351494919.db2.gz WIHCBZNXQJBQEC-UHFFFAOYSA-N 0 0 156.112 1.049 10 0 ADAERN OC[C@@H]1OC12CCCCC2 39131915 351495110 /nfs/dbraw/zinc/49/51/10/351495110.db2.gz JUNOMBRVJHPWRG-ZETCQYMHSA-N 0 0 142.198 1.080 10 0 ADAERN c1cc2nonc2c2c[nH]cc12 39133595 351495137 /nfs/dbraw/zinc/49/51/37/351495137.db2.gz GTHSGSUINUJPKZ-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1nc([C@H]2CCCO2)cs1 39134467 351495560 /nfs/dbraw/zinc/49/55/60/351495560.db2.gz VEAFCOIXHIVHEI-SSDOTTSWSA-N 0 0 155.222 1.995 10 0 ADAERN c1nc2ncsc2o1 39135010 351495570 /nfs/dbraw/zinc/49/55/70/351495570.db2.gz OJADJQCOHXOBDN-UHFFFAOYSA-N 0 0 126.140 1.284 10 0 ADAERN C[C@@H]1C[C@H](c2ccco2)NN1 39134002 351495590 /nfs/dbraw/zinc/49/55/90/351495590.db2.gz MWVLKKPCFMKDPS-RNFRBKRXSA-N 0 0 152.197 1.207 10 0 ADAERN c1nc2nocc2s1 39134715 351495630 /nfs/dbraw/zinc/49/56/30/351495630.db2.gz RVADCZCZJDFKHB-UHFFFAOYSA-N 0 0 126.140 1.284 10 0 ADAERN c1ccc2c(c1)nn1[nH]ccc21 39134093 351495653 /nfs/dbraw/zinc/49/56/53/351495653.db2.gz DGTIKGLJAXKYLR-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN c1cc2c(ccc3n[nH]nc32)o1 39136317 351495672 /nfs/dbraw/zinc/49/56/72/351495672.db2.gz OAPNEBFBGFFQOU-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1nc2scnc2o1 39134818 351495703 /nfs/dbraw/zinc/49/57/03/351495703.db2.gz ZKRUQFIDYBXWOC-UHFFFAOYSA-N 0 0 126.140 1.284 10 0 ADAERN CCOc1cscn1 39135004 351495725 /nfs/dbraw/zinc/49/57/25/351495725.db2.gz JBJZPZRWZXINIS-UHFFFAOYSA-N 0 0 129.184 1.542 10 0 ADAERN c1ccc2c(c1)[nH]n1ccnc21 39134117 351495744 /nfs/dbraw/zinc/49/57/44/351495744.db2.gz LHPMTXVBCDSKMV-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN c1nc2conc2s1 39134683 351495756 /nfs/dbraw/zinc/49/57/56/351495756.db2.gz SHDVGOZCHNKJSS-UHFFFAOYSA-N 0 0 126.140 1.284 10 0 ADAERN O=Cc1c[nH]c(=S)s1 39134627 351495766 /nfs/dbraw/zinc/49/57/66/351495766.db2.gz LALLIIYTFLDKPT-UHFFFAOYSA-N 0 0 145.208 1.244 10 0 ADAERN c1ccc2nc3c(nc2c1)OCO3 39134423 351495768 /nfs/dbraw/zinc/49/57/68/351495768.db2.gz ZJXAUGAOIHVLBR-UHFFFAOYSA-N 0 0 174.159 1.359 10 0 ADAERN c1ccc2nc3ooc3nc2c1 39134273 351495785 /nfs/dbraw/zinc/49/57/85/351495785.db2.gz LTNXNRPHKXHZSF-UHFFFAOYSA-N 0 0 160.132 1.969 10 0 ADAERN O=c1[nH]c(Cl)cs1 39134648 351495797 /nfs/dbraw/zinc/49/57/97/351495797.db2.gz JTADMFNYNAFEMS-UHFFFAOYSA-N 0 0 135.575 1.502 10 0 ADAERN O=[S@]1CNc2ccccc21 39134552 351495814 /nfs/dbraw/zinc/49/58/14/351495814.db2.gz YVAIFZYQODGYQY-SNVBAGLBSA-N 0 0 153.206 1.177 10 0 ADAERN O=C1CSC(=S)N1 39134699 351495817 /nfs/dbraw/zinc/49/58/17/351495817.db2.gz FCLPKVGYPVJJJH-UHFFFAOYSA-N 0 0 133.197 1.137 10 0 ADAERN OCCc1cnc2ccccc2n1 39134344 351495846 /nfs/dbraw/zinc/49/58/46/351495846.db2.gz IBGYOCWSEXZTCV-UHFFFAOYSA-N 0 0 174.203 1.165 10 0 ADAERN CCOc1csc(C)n1 39134865 351495887 /nfs/dbraw/zinc/49/58/87/351495887.db2.gz QNUQITXNECRQLZ-UHFFFAOYSA-N 0 0 143.211 1.850 10 0 ADAERN c1cnn(-c2cscn2)c1 39134736 351495895 /nfs/dbraw/zinc/49/58/95/351495895.db2.gz PJUQIYFTAVZSKE-UHFFFAOYSA-N 0 0 151.194 1.329 10 0 ADAERN c1nc2sncc2s1 39134819 351495898 /nfs/dbraw/zinc/49/58/98/351495898.db2.gz VUMMHQYLLNYPBD-UHFFFAOYSA-N 0 0 142.208 1.753 10 0 ADAERN O=c1[nH]c2ccsc2s1 39134885 351495902 /nfs/dbraw/zinc/49/59/02/351495902.db2.gz PRQBRIFUHJGLPE-UHFFFAOYSA-N 0 0 157.219 1.651 10 0 ADAERN c1nc2oncc2s1 39134733 351495912 /nfs/dbraw/zinc/49/59/12/351495912.db2.gz SQRYZXCHZMCFEP-UHFFFAOYSA-N 0 0 126.140 1.284 10 0 ADAERN c1ccc2nc3ocnc3nc2c1 39134556 351495950 /nfs/dbraw/zinc/49/59/50/351495950.db2.gz ZSWULIBFTCVIDV-UHFFFAOYSA-N 0 0 171.159 1.771 10 0 ADAERN O=[S@@]1CNc2ccccc21 39134553 351495966 /nfs/dbraw/zinc/49/59/66/351495966.db2.gz YVAIFZYQODGYQY-JTQLQIEISA-N 0 0 153.206 1.177 10 0 ADAERN OCCCCc1cscn1 39135013 351495976 /nfs/dbraw/zinc/49/59/76/351495976.db2.gz MXRILYGHQGAJEB-UHFFFAOYSA-N 0 0 157.238 1.458 10 0 ADAERN O=Cc1cc2occc2cc1O 39136395 351496055 /nfs/dbraw/zinc/49/60/55/351496055.db2.gz WRWSBLXLJVQGKR-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN O[C@H](c1ccco1)c1nccs1 39168576 351496422 /nfs/dbraw/zinc/49/64/22/351496422.db2.gz MLYPNDKCYNOWQK-SSDOTTSWSA-N 0 0 181.216 1.818 10 0 ADAERN CC(C)(NN)c1ccccc1 39136945 351496545 /nfs/dbraw/zinc/49/65/45/351496545.db2.gz LNLOTGYMEDGQND-UHFFFAOYSA-N 0 0 150.225 1.385 10 0 ADAERN CC(C)=CCN1CCOCC1 39136816 351496650 /nfs/dbraw/zinc/49/66/50/351496650.db2.gz CQCIVWWWLNHMQG-UHFFFAOYSA-N 0 0 155.241 1.285 10 0 ADAERN O[C@@H](c1ccco1)c1nccs1 39168575 351496743 /nfs/dbraw/zinc/49/67/43/351496743.db2.gz MLYPNDKCYNOWQK-ZETCQYMHSA-N 0 0 181.216 1.818 10 0 ADAERN CCOc1cnc(N)s1 39136996 351496853 /nfs/dbraw/zinc/49/68/53/351496853.db2.gz ODGMKRGJXAPFHT-UHFFFAOYSA-N 0 0 144.199 1.124 10 0 ADAERN O=Cc1c(O)ccc2occc12 39136400 351496900 /nfs/dbraw/zinc/49/69/00/351496900.db2.gz GVGJOILGRQOAHK-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN OCc1cc2cccc(O)c2o1 39136484 351496991 /nfs/dbraw/zinc/49/69/91/351496991.db2.gz ZPGYWXUBRLIKBY-UHFFFAOYSA-N 0 0 164.160 1.631 10 0 ADAERN CC[C@@H](C)Nc1nncs1 39140439 351497046 /nfs/dbraw/zinc/49/70/46/351497046.db2.gz OVSWMDSSXJQKAF-RXMQYKEDSA-N 0 0 157.242 1.749 10 0 ADAERN O=Cc1cc2ccoc2cc1O 39136428 351497093 /nfs/dbraw/zinc/49/70/93/351497093.db2.gz GFDYEDIKYWNXGA-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN O=Cc1c(O)ccc2ccoc12 39136399 351497104 /nfs/dbraw/zinc/49/71/04/351497104.db2.gz RIYXZDRTGOMKTR-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN OCc1coc2cc(O)ccc12 39136485 351497176 /nfs/dbraw/zinc/49/71/76/351497176.db2.gz SUQCCGWWVBDHRN-UHFFFAOYSA-N 0 0 164.160 1.631 10 0 ADAERN O=c1ccc2ccsc2[nH]1 39207406 351497669 /nfs/dbraw/zinc/49/76/69/351497669.db2.gz MQJNETSYXIIIKE-UHFFFAOYSA-N 0 0 151.190 1.590 10 0 ADAERN CCOc1ncnc(Cl)c1N 39212650 351497753 /nfs/dbraw/zinc/49/77/53/351497753.db2.gz HHFABOZHZZPRLY-UHFFFAOYSA-N 0 0 173.603 1.111 10 0 ADAERN O=c1cc[nH]c2ccc3[nH]cnc3c12 39209517 351497833 /nfs/dbraw/zinc/49/78/33/351497833.db2.gz KAGWXVBPEQBHQH-UHFFFAOYSA-N 0 0 185.186 1.404 10 0 ADAERN c1cnc2cccn2c1 39214446 351497788 /nfs/dbraw/zinc/49/77/88/351497788.db2.gz JBDKAABFESSFMV-UHFFFAOYSA-N 0 0 118.139 1.334 10 0 ADAERN c1[nH]nc2c1CSCC2 39203308 351498113 /nfs/dbraw/zinc/49/81/13/351498113.db2.gz BGPVVWPJVWAOGJ-UHFFFAOYSA-N 0 0 140.211 1.199 10 0 ADAERN OCCC1(c2ccccc2)OCCO1 39238573 351498843 /nfs/dbraw/zinc/49/88/43/351498843.db2.gz CBJNSAIMRFYTPN-UHFFFAOYSA-N 0 0 194.230 1.269 10 0 ADAERN c1cc2cnncc2s1 39252790 351499019 /nfs/dbraw/zinc/49/90/19/351499019.db2.gz BECCJFVVNMJZMR-UHFFFAOYSA-N 0 0 136.179 1.691 10 0 ADAERN O=Cc1noc(-c2ccccc2)n1 39247943 351499292 /nfs/dbraw/zinc/49/92/92/351499292.db2.gz OUNPUTOMYXBXHM-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CCOc1cc(N)ccc1O 39317960 351500852 /nfs/dbraw/zinc/50/08/52/351500852.db2.gz VCYQNCHWCSKOTO-UHFFFAOYSA-N 0 0 153.181 1.373 10 0 ADAERN c1csc(-c2nnc[nH]2)c1 39281338 351499971 /nfs/dbraw/zinc/49/99/71/351499971.db2.gz PHEGUZUFMVZYLQ-UHFFFAOYSA-N 0 0 151.194 1.533 10 0 ADAERN Oc1ccc2nnsc2c1 39263174 351500272 /nfs/dbraw/zinc/50/02/72/351500272.db2.gz LVZGMLBCOKELEL-UHFFFAOYSA-N 0 0 152.178 1.397 10 0 ADAERN O=Cc1cc2ccccc2c(=O)[nH]1 39258421 351500410 /nfs/dbraw/zinc/50/04/10/351500410.db2.gz SCERXXJYTIPEQY-UHFFFAOYSA-N 0 0 173.171 1.341 10 0 ADAERN Oc1ccc(Oc2cncnc2)cc1 39343936 351501026 /nfs/dbraw/zinc/50/10/26/351501026.db2.gz KXMYLQWJJUTAPQ-UHFFFAOYSA-N 0 0 188.186 1.975 10 0 ADAERN c1cnnc(NC2CCC2)c1 39326011 351501201 /nfs/dbraw/zinc/50/12/01/351501201.db2.gz BJOMYLCPCSISCL-UHFFFAOYSA-N 0 0 149.197 1.441 10 0 ADAERN ONCc1ccccc1F 39298743 351501344 /nfs/dbraw/zinc/50/13/44/351501344.db2.gz BXYGMYVSWHRWKY-UHFFFAOYSA-N 0 0 141.145 1.305 10 0 ADAERN c1ccc(-c2nc3ccccn3n2)nc1 39293877 351501401 /nfs/dbraw/zinc/50/14/01/351501401.db2.gz KHEUZOZINKWQCM-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CC(C)C(=O)[C@H]1CCC(=O)C1 39378826 351502144 /nfs/dbraw/zinc/50/21/44/351502144.db2.gz RJRGNHJSSNLWMQ-ZETCQYMHSA-N 0 0 154.209 1.581 10 0 ADAERN CC(C)C(=O)[C@@H]1CCCC(=O)C1 39378824 351502342 /nfs/dbraw/zinc/50/23/42/351502342.db2.gz VGYJSOIGWAWDRA-MRVPVSSYSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)C(=O)[C@H]1CCCC(=O)C1 39378825 351502428 /nfs/dbraw/zinc/50/24/28/351502428.db2.gz VGYJSOIGWAWDRA-QMMMGPOBSA-N 0 0 168.236 1.971 10 0 ADAERN OCc1cncc(-c2ccccc2)n1 39401177 351502481 /nfs/dbraw/zinc/50/24/81/351502481.db2.gz ZGPMDMMMLOHXQB-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN CC(C)C(=O)NC(=O)c1ccccc1 39426411 351503068 /nfs/dbraw/zinc/50/30/68/351503068.db2.gz XKRJZKAIEPCDHI-UHFFFAOYSA-N 0 0 191.230 1.599 10 0 ADAERN C[C@@H]1O[C@@H](O)c2ccccc21 39647585 351503079 /nfs/dbraw/zinc/50/30/79/351503079.db2.gz GVZFPWCBUWAGHL-IMTBSYHQSA-N 0 0 150.177 1.769 10 0 ADAERN O=Cc1cc2ccccc2oc1=O 39476387 351503088 /nfs/dbraw/zinc/50/30/88/351503088.db2.gz GHULSNJKMRDUGY-UHFFFAOYSA-N 0 0 174.155 1.606 10 0 ADAERN O=c1ccc(-c2ccncc2)c[nH]1 39474431 351503092 /nfs/dbraw/zinc/50/30/92/351503092.db2.gz JLEJXZDPNYUTIR-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN C[C@@H]1O[C@H](O)c2ccccc21 39647586 351503217 /nfs/dbraw/zinc/50/32/17/351503217.db2.gz GVZFPWCBUWAGHL-RCOVLWMOSA-N 0 0 150.177 1.769 10 0 ADAERN O=c1ccc(-c2cccc(O)c2)c[nH]1 39627668 351503263 /nfs/dbraw/zinc/50/32/63/351503263.db2.gz LUNRXENHXLPCRC-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=Cc1cnc(CC2CC2)nc1 39957344 351504323 /nfs/dbraw/zinc/50/43/23/351504323.db2.gz LCDIDVNXWDNHTG-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN OCc1cnc(-c2ccsc2)nc1 39957367 351504457 /nfs/dbraw/zinc/50/44/57/351504457.db2.gz AICPWFNKLYYPBX-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN C[C@@H]1Cc2cc(C(N)=O)ccc2O1 39761792 351504836 /nfs/dbraw/zinc/50/48/36/351504836.db2.gz GIDYUDMZFOQPMU-ZCFIWIBFSA-N 0 0 177.203 1.109 10 0 ADAERN CCOc1ccc2c(c1)CCC(=O)N2 40176393 351505278 /nfs/dbraw/zinc/50/52/78/351505278.db2.gz OISKBDYSPIXDOM-UHFFFAOYSA-N 0 0 191.230 1.970 10 0 ADAERN O[C@H](c1cccs1)[C@H]1CCCO1 40247514 351505352 /nfs/dbraw/zinc/50/53/52/351505352.db2.gz YXNVVNCIKKJRNH-APPZFPTMSA-N 0 0 184.260 1.961 10 0 ADAERN O[C@@H](Cc1ncc[nH]1)c1ccoc1 40261604 351505376 /nfs/dbraw/zinc/50/53/76/351505376.db2.gz ONQFDNDPQPBNPE-QMMMGPOBSA-N 0 0 178.191 1.279 10 0 ADAERN O[C@H](Cc1ncc[nH]1)c1ccco1 40261605 351505465 /nfs/dbraw/zinc/50/54/65/351505465.db2.gz IKXCZYFIDMOZAE-SSDOTTSWSA-N 0 0 178.191 1.279 10 0 ADAERN O[C@@H](c1cccs1)[C@@H]1CCCO1 40247511 351505493 /nfs/dbraw/zinc/50/54/93/351505493.db2.gz YXNVVNCIKKJRNH-IONNQARKSA-N 0 0 184.260 1.961 10 0 ADAERN O[C@@H](Cc1ncc[nH]1)c1cccs1 40261586 351505505 /nfs/dbraw/zinc/50/55/05/351505505.db2.gz DFIQOCPWPIHCIN-ZETCQYMHSA-N 0 0 194.259 1.747 10 0 ADAERN O[C@@H](Cc1ncc[nH]1)C1CCCCC1 40261381 351505508 /nfs/dbraw/zinc/50/55/08/351505508.db2.gz ZNIPPCWBEWRMEP-JTQLQIEISA-N 0 0 194.278 1.893 10 0 ADAERN O[C@H](c1ncccn1)c1cccs1 40237825 351505543 /nfs/dbraw/zinc/50/55/43/351505543.db2.gz DTBNPBWCMZUDDU-QMMMGPOBSA-N 0 0 192.243 1.620 10 0 ADAERN O[C@H](c1cccs1)[C@@H]1CCCO1 40247512 351505550 /nfs/dbraw/zinc/50/55/50/351505550.db2.gz YXNVVNCIKKJRNH-CBAPKCEASA-N 0 0 184.260 1.961 10 0 ADAERN O[C@@H](Cc1ncc[nH]1)c1ccco1 40261606 351505572 /nfs/dbraw/zinc/50/55/72/351505572.db2.gz IKXCZYFIDMOZAE-ZETCQYMHSA-N 0 0 178.191 1.279 10 0 ADAERN O[C@@H](c1ncccn1)c1cccs1 40237827 351505646 /nfs/dbraw/zinc/50/56/46/351505646.db2.gz DTBNPBWCMZUDDU-MRVPVSSYSA-N 0 0 192.243 1.620 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)CC(=O)N2C 40256872 351505681 /nfs/dbraw/zinc/50/56/81/351505681.db2.gz FUDGZJWBDMJYAA-SSDOTTSWSA-N 0 0 191.230 1.259 10 0 ADAERN c1cc2occc2[nH]1 40442805 351507056 /nfs/dbraw/zinc/50/70/56/351507056.db2.gz PLJIVNLEQUBQTH-UHFFFAOYSA-N 0 0 107.112 1.761 10 0 ADAERN c1ccc(NCCc2ncno2)cc1 40454107 351507479 /nfs/dbraw/zinc/50/74/79/351507479.db2.gz CUYHCCZKLGSOHO-UHFFFAOYSA-N 0 0 189.218 1.724 10 0 ADAERN CC(C)C[C@H](C)Nc1ncc(N)cn1 40455636 351507490 /nfs/dbraw/zinc/50/74/90/351507490.db2.gz WQQKGKPKSKPXTI-QMMMGPOBSA-N 0 0 194.282 1.905 10 0 ADAERN c1nc(CNc2cn[nH]c2)cs1 40504155 351507546 /nfs/dbraw/zinc/50/75/46/351507546.db2.gz SDCNMRNCHYDAQV-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN CC[C@@H](C)[C@@H](N)c1ncno1 40454036 351507975 /nfs/dbraw/zinc/50/79/75/351507975.db2.gz BGWLJLNDWONGNX-PHDIDXHHSA-N 0 0 155.201 1.116 10 0 ADAERN CCSc1ncc(N)cn1 40456233 351507656 /nfs/dbraw/zinc/50/76/56/351507656.db2.gz IOPMCYVYOGZJNK-UHFFFAOYSA-N 0 0 155.226 1.171 10 0 ADAERN CC[C@@H](C)[C@H](N)c1ncno1 40454034 351507775 /nfs/dbraw/zinc/50/77/75/351507775.db2.gz BGWLJLNDWONGNX-RITPCOANSA-N 0 0 155.201 1.116 10 0 ADAERN CC(C)CNc1ncc(N)cn1 40455229 351507790 /nfs/dbraw/zinc/50/77/90/351507790.db2.gz QNMAEBWDBJBVFN-UHFFFAOYSA-N 0 0 166.228 1.127 10 0 ADAERN CC(C)CN(C)c1ncc(N)cn1 40455604 351507807 /nfs/dbraw/zinc/50/78/07/351507807.db2.gz BIHWFTOZSNFZCG-UHFFFAOYSA-N 0 0 180.255 1.151 10 0 ADAERN C[C@@H]1[NH2+]CCc2c(C(=O)[O-])cccc21 40448661 351507841 /nfs/dbraw/zinc/50/78/41/351507841.db2.gz QOVYTZJWLVMRLS-ZETCQYMHSA-N 0 0 191.230 1.592 10 0 ADAERN CC(C)C[C@H](N)c1ncno1 40454062 351507861 /nfs/dbraw/zinc/50/78/61/351507861.db2.gz LVKDMDDHCXDGDT-LURJTMIESA-N 0 0 155.201 1.116 10 0 ADAERN CC[C@@H](C)Nc1ncc(N)cn1 40455224 351507930 /nfs/dbraw/zinc/50/79/30/351507930.db2.gz MQWLPDIJWUDBBK-ZCFIWIBFSA-N 0 0 166.228 1.269 10 0 ADAERN c1ccc(NCc2ncno2)cc1 40454110 351507955 /nfs/dbraw/zinc/50/79/55/351507955.db2.gz LWLAIALYWPRHNA-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CC(C)CCNc1ncc(N)cn1 40455289 351507970 /nfs/dbraw/zinc/50/79/70/351507970.db2.gz OMEGVCFWCBPUPU-UHFFFAOYSA-N 0 0 180.255 1.517 10 0 ADAERN CC(C)C(=O)N1[C@@H](C)COC[C@@H]1C 40634416 351508578 /nfs/dbraw/zinc/50/85/78/351508578.db2.gz YEXHDKWFCWMDPX-IUCAKERBSA-N 0 0 185.267 1.278 10 0 ADAERN CC(C)CC(=O)N1[C@H](C)COC[C@H]1C 40634435 351508746 /nfs/dbraw/zinc/50/87/46/351508746.db2.gz YMUMVRREPYYOFC-NXEZZACHSA-N 0 0 199.294 1.668 10 0 ADAERN CC(C)CC(=O)N1[C@@H](C)COC[C@H]1C 40634431 351508838 /nfs/dbraw/zinc/50/88/38/351508838.db2.gz YMUMVRREPYYOFC-AOOOYVTPSA-N 0 0 199.294 1.668 10 0 ADAERN CCOc1ccc2c(c1)[C@@H](O)CCO2 40543002 351508890 /nfs/dbraw/zinc/50/88/90/351508890.db2.gz FKLLJHBOKIQTGK-JTQLQIEISA-N 0 0 194.230 1.901 10 0 ADAERN c1n[nH]cc1NCC1CCC1 40544052 351508967 /nfs/dbraw/zinc/50/89/67/351508967.db2.gz BHCWLBDSDVYWIU-UHFFFAOYSA-N 0 0 151.213 1.622 10 0 ADAERN CCOc1cccc2c[nH]nc12 40639300 351509231 /nfs/dbraw/zinc/50/92/31/351509231.db2.gz GUSXMZNUUMAUBQ-UHFFFAOYSA-N 0 0 162.192 1.962 10 0 ADAERN CCOc1ncnc(NC(C)C)c1N 40708268 351509286 /nfs/dbraw/zinc/50/92/86/351509286.db2.gz YVKXCBJDSAXMLB-UHFFFAOYSA-N 0 0 196.254 1.278 10 0 ADAERN CC(C)C(=O)N1[C@H](C)COC[C@H]1C 40634418 351509355 /nfs/dbraw/zinc/50/93/55/351509355.db2.gz YEXHDKWFCWMDPX-RKDXNWHRSA-N 0 0 185.267 1.278 10 0 ADAERN C[C@@H]1CCN(c2ccc(N)cn2)C1 40717809 351509764 /nfs/dbraw/zinc/50/97/64/351509764.db2.gz JJEJJLQOADDNBL-MRVPVSSYSA-N 0 0 177.251 1.510 10 0 ADAERN C[C@@H]1CC[N@@H+](C[C@@H](C)C(=O)[O-])C1 40718729 351509822 /nfs/dbraw/zinc/50/98/22/351509822.db2.gz WWADFMQUDKRNKW-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H]1CCN(CC(=O)c2ccco2)C1 40719137 351510192 /nfs/dbraw/zinc/51/01/92/351510192.db2.gz ZEHZMGWPBACWHO-SECBINFHSA-N 0 0 193.246 1.804 10 0 ADAERN C[C@@H]1CCN(c2ccc(N)nc2)C1 40717642 351510428 /nfs/dbraw/zinc/51/04/28/351510428.db2.gz OTTFCISJHHINCX-MRVPVSSYSA-N 0 0 177.251 1.510 10 0 ADAERN C[C@@H]1CCN(c2n[nH]c(=S)n2C)C1 40724170 351510505 /nfs/dbraw/zinc/51/05/05/351510505.db2.gz JGMVGFWSFCJXSG-ZCFIWIBFSA-N 0 0 198.295 1.324 10 0 ADAERN c1cc(CNc2ccncn2)ccn1 40863027 351511472 /nfs/dbraw/zinc/51/14/72/351511472.db2.gz GNSCBYUCUVYUDE-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN C[C@@H](c1cccc(N)c1)n1cncn1 40908280 351511509 /nfs/dbraw/zinc/51/15/09/351511509.db2.gz DILSLJVHNUJKJQ-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN c1cc(NCC2CCC2)ncn1 40863049 351511543 /nfs/dbraw/zinc/51/15/43/351511543.db2.gz GZOXDEKMVKCFPN-UHFFFAOYSA-N 0 0 163.224 1.689 10 0 ADAERN c1coc(CNc2ccncn2)c1 40862875 351511603 /nfs/dbraw/zinc/51/16/03/351511603.db2.gz LRMJIIHCWVBWMI-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CC[C@@H](C)Nc1ccncn1 40862879 351511691 /nfs/dbraw/zinc/51/16/91/351511691.db2.gz IIQVINFRZIRFJL-SSDOTTSWSA-N 0 0 151.213 1.687 10 0 ADAERN c1ccc(CNc2ccncn2)nc1 40863002 351511988 /nfs/dbraw/zinc/51/19/88/351511988.db2.gz CYNYKWPRENLZMA-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN c1cc(NC[C@H]2CCCO2)ncn1 40863017 351512049 /nfs/dbraw/zinc/51/20/49/351512049.db2.gz AGHFOYHSHXHPBD-MRVPVSSYSA-N 0 0 179.223 1.068 10 0 ADAERN CCOc1nc(C)cc(C)c1CO 40882812 351512064 /nfs/dbraw/zinc/51/20/64/351512064.db2.gz XDEQNJGHBAVWMW-UHFFFAOYSA-N 0 0 181.235 1.589 10 0 ADAERN c1cc(NC[C@@H]2CCCO2)ncn1 40863015 351512078 /nfs/dbraw/zinc/51/20/78/351512078.db2.gz AGHFOYHSHXHPBD-QMMMGPOBSA-N 0 0 179.223 1.068 10 0 ADAERN c1cc(NCC[C@H]2CCCO2)ncn1 40863326 351512098 /nfs/dbraw/zinc/51/20/98/351512098.db2.gz MTVOQDJQIAMGRH-SECBINFHSA-N 0 0 193.250 1.458 10 0 ADAERN Oc1cccc(-c2c[nH]cn2)c1 40828287 351512121 /nfs/dbraw/zinc/51/21/21/351512121.db2.gz PJQHXDBJGQGWHK-UHFFFAOYSA-N 0 0 160.176 1.782 10 0 ADAERN CC(C)CNc1ccncn1 40862883 351512140 /nfs/dbraw/zinc/51/21/40/351512140.db2.gz PEOHFWWNBRKGIO-UHFFFAOYSA-N 0 0 151.213 1.545 10 0 ADAERN OCc1ccc(OC2CCCC2)nc1 40882689 351512163 /nfs/dbraw/zinc/51/21/63/351512163.db2.gz PBHZLVLXNJVIKX-UHFFFAOYSA-N 0 0 193.246 1.895 10 0 in-vitro ADAERN C[C@@H]1C[C@@H](OC(=O)CN)CC(C)(C)C1 40951417 351512791 /nfs/dbraw/zinc/51/27/91/351512791.db2.gz JXBXGICZFFKOLK-RKDXNWHRSA-N 0 0 199.294 1.703 10 0 ADAERN c1cc(NCc2nccs2)ncn1 41013148 351513001 /nfs/dbraw/zinc/51/30/01/351513001.db2.gz HZDMHBQSIQGMLL-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN C[C@@H]1CCC[C@@H](OC(=O)CN)C1 40953431 351513177 /nfs/dbraw/zinc/51/31/77/351513177.db2.gz FDJCKCYLKANHQD-HTQZYQBOSA-N 0 0 171.240 1.067 10 0 ADAERN C[C@@H]1C[C@H](OC(=O)CN)CC(C)(C)C1 40951411 351513304 /nfs/dbraw/zinc/51/33/04/351513304.db2.gz JXBXGICZFFKOLK-BDAKNGLRSA-N 0 0 199.294 1.703 10 0 ADAERN CC(C)(Nc1cc[nH+]cc1)C(=O)[O-] 40911215 351513312 /nfs/dbraw/zinc/51/33/12/351513312.db2.gz JIFNMUYPBJZVKI-UHFFFAOYSA-N 0 0 180.207 1.357 10 0 ADAERN CC(C)(N)c1nc(C2CC2)no1 40911400 351513391 /nfs/dbraw/zinc/51/33/91/351513391.db2.gz SYEXCZZYHMOIOB-UHFFFAOYSA-N 0 0 167.212 1.141 10 0 ADAERN CC(C)CSc1c[nH]nc1N 40999509 351513400 /nfs/dbraw/zinc/51/34/00/351513400.db2.gz CIVPNLXGDAMLKY-UHFFFAOYSA-N 0 0 171.269 1.740 10 0 ADAERN CCSc1c[nH]nc1N 40999503 351513429 /nfs/dbraw/zinc/51/34/29/351513429.db2.gz BJGCUVZUAPYSMA-UHFFFAOYSA-N 0 0 143.215 1.104 10 0 ADAERN CC[C@@H](C)Sc1c[nH]nc1N 40999501 351513443 /nfs/dbraw/zinc/51/34/43/351513443.db2.gz KBAYSYMJHMXAGI-RXMQYKEDSA-N 0 0 171.269 1.883 10 0 ADAERN c1ncc(C[NH2+]C2CCCC2)o1 41050810 351513893 /nfs/dbraw/zinc/51/38/93/351513893.db2.gz FXOMZWGUQBEDOD-UHFFFAOYSA-N 0 0 166.224 1.707 10 0 ADAERN CC[C@@H](C)[C@@H]([NH3+])c1ncon1 41050391 351514241 /nfs/dbraw/zinc/51/42/41/351514241.db2.gz VJHYSOLAAPJQOC-PHDIDXHHSA-N 0 0 155.201 1.116 10 0 ADAERN c1ccc(NC[C@H]2COCCO2)cc1 41050783 351514269 /nfs/dbraw/zinc/51/42/69/351514269.db2.gz GTVWIOGOZNNQRA-NSHDSACASA-N 0 0 193.246 1.514 10 0 ADAERN CC[C@@H](C)[C@H]([NH3+])c1ncon1 41050389 351514307 /nfs/dbraw/zinc/51/43/07/351514307.db2.gz VJHYSOLAAPJQOC-RITPCOANSA-N 0 0 155.201 1.116 10 0 ADAERN C[C@@H]1CCN(c2ncccc2N)C1 41043376 351514318 /nfs/dbraw/zinc/51/43/18/351514318.db2.gz XTORGWSJTHZUQW-MRVPVSSYSA-N 0 0 177.251 1.510 10 0 ADAERN c1csc(CNCc2cn[nH]n2)c1 41050773 351514408 /nfs/dbraw/zinc/51/44/08/351514408.db2.gz DTUHDJZQSWEVKO-UHFFFAOYSA-N 0 0 194.263 1.156 10 0 ADAERN CC[C@@H](C)n1c(=O)c(N)c(C)n1CC 41043686 351514634 /nfs/dbraw/zinc/51/46/34/351514634.db2.gz LFOQMMQSFHDBMM-SSDOTTSWSA-N 0 0 197.282 1.531 10 0 ADAERN c1ccc(NC[C@@H]2COCCO2)cc1 41050782 351514724 /nfs/dbraw/zinc/51/47/24/351514724.db2.gz GTVWIOGOZNNQRA-LLVKDONJSA-N 0 0 193.246 1.514 10 0 ADAERN CC[C@@H](C)[C@H](C(=O)[O-])[NH+](C)C 41050422 351514799 /nfs/dbraw/zinc/51/47/99/351514799.db2.gz OQJJVXKMPUJFJK-RNFRBKRXSA-N 0 0 159.229 1.047 10 0 ADAERN CC[C@@H](C)[C@@H](C(=O)[O-])[NH+](C)C 41050421 351514893 /nfs/dbraw/zinc/51/48/93/351514893.db2.gz OQJJVXKMPUJFJK-RQJHMYQMSA-N 0 0 159.229 1.047 10 0 ADAERN OC[C@H](Nc1ccccc1)C1CC1 41047679 351514905 /nfs/dbraw/zinc/51/49/05/351514905.db2.gz PLYXATZWOWADNP-NSHDSACASA-N 0 0 177.247 1.869 10 0 ADAERN c1coc(-c2n[nH]c(C3CC3)n2)c1 41057545 351515784 /nfs/dbraw/zinc/51/57/84/351515784.db2.gz RDOWHRPOFPXUAS-UHFFFAOYSA-N 0 0 175.191 1.942 10 0 ADAERN c1cnc(-c2n[nH]c(C3CC3)n2)cn1 41057714 351515814 /nfs/dbraw/zinc/51/58/14/351515814.db2.gz SREVNLUZAMOTFG-UHFFFAOYSA-N 0 0 187.206 1.139 10 0 ADAERN c1cc(-c2n[nH]c(C3CC3)n2)co1 41057690 351515934 /nfs/dbraw/zinc/51/59/34/351515934.db2.gz JYEJVROVDSUCOV-UHFFFAOYSA-N 0 0 175.191 1.942 10 0 ADAERN OCc1nnc(C2CCCCC2)[nH]1 41058445 351515945 /nfs/dbraw/zinc/51/59/45/351515945.db2.gz GIGSSSVXHYDZHX-UHFFFAOYSA-N 0 0 181.239 1.345 10 0 ADAERN C[C@@H]1C[C@H]1c1nnc(C2CC2)[nH]1 41057684 351516085 /nfs/dbraw/zinc/51/60/85/351516085.db2.gz BNORNEZIXUICDN-IYSWYEEDSA-N 0 0 163.224 1.806 10 0 ADAERN c1nnc(C2CCCCC2)[nH]1 41058448 351516099 /nfs/dbraw/zinc/51/60/99/351516099.db2.gz YZYJTQZIVRRSKM-UHFFFAOYSA-N 0 0 151.213 1.852 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnc(C2CC2)[nH]1 41057680 351516242 /nfs/dbraw/zinc/51/62/42/351516242.db2.gz BNORNEZIXUICDN-VDTYLAMSSA-N 0 0 163.224 1.806 10 0 ADAERN CCSc1ccc(N)c(C(N)=O)c1 41079990 351516350 /nfs/dbraw/zinc/51/63/50/351516350.db2.gz QGDHTRVWMXEDJF-UHFFFAOYSA-N 0 0 196.275 1.480 10 0 ADAERN OCc1cccnc1NC1CC1 41167840 351517353 /nfs/dbraw/zinc/51/73/53/351517353.db2.gz PUIXAVBQKFFTKZ-UHFFFAOYSA-N 0 0 164.208 1.148 10 0 ADAERN CCOc1cc(C)c(C(N)=O)cc1C 41206221 351518380 /nfs/dbraw/zinc/51/83/80/351518380.db2.gz BLBOWQIJLLDZIQ-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN OCCc1ccc2c(c1)OCCCO2 41206625 351518417 /nfs/dbraw/zinc/51/84/17/351518417.db2.gz ZXVQDPQSJRFKPE-UHFFFAOYSA-N 0 0 194.230 1.383 10 0 ADAERN C[C@@H](Oc1ccc(F)cc1)C(N)=S 41209845 351518508 /nfs/dbraw/zinc/51/85/08/351518508.db2.gz JYCXCJKIAXOGPQ-ZCFIWIBFSA-N 0 0 199.250 1.879 10 0 ADAERN OCCCNc1ccc2c(c1)OCO2 41571332 351518831 /nfs/dbraw/zinc/51/88/31/351518831.db2.gz FLFKOPAKSIJKKP-UHFFFAOYSA-N 0 0 195.218 1.210 10 0 ADAERN OCCCNc1ccccc1F 41571215 351519028 /nfs/dbraw/zinc/51/90/28/351519028.db2.gz WJCMXIOXXDNBGA-UHFFFAOYSA-N 0 0 169.199 1.620 10 0 ADAERN CCOc1cccc2c1NC(=O)[C@H]2O 42041437 351519661 /nfs/dbraw/zinc/51/96/61/351519661.db2.gz DIRCWDKGIOWXRY-VIFPVBQESA-N 0 0 193.202 1.071 10 0 ADAERN C[C@@H]1CCC[N@@H+]1C1(C(=O)[O-])CCCC1 41838744 351519852 /nfs/dbraw/zinc/51/98/52/351519852.db2.gz UIXCXFNVDGAWDP-SECBINFHSA-N 0 0 197.278 1.868 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@](C)(C(=O)[O-])C1CC1 41838772 351519988 /nfs/dbraw/zinc/51/99/88/351519988.db2.gz KMEMYFBHFVDQJT-KCJUWKMLSA-N 0 0 197.278 1.724 10 0 ADAERN c1ccc(NCc2nc[nH]n2)cc1 42040738 351520021 /nfs/dbraw/zinc/52/00/21/351520021.db2.gz PMJCTESIJNUACD-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN CC(C)C(=O)Nc1ccccc1CO 42208185 351520181 /nfs/dbraw/zinc/52/01/81/351520181.db2.gz NZTZUWRHKMZQOQ-UHFFFAOYSA-N 0 0 193.246 1.773 10 0 ADAERN CCOc1ccc2c(c1)[C@@H](O)C(=O)N2 42041237 351520286 /nfs/dbraw/zinc/52/02/86/351520286.db2.gz DXSYKPATVCDFGW-SECBINFHSA-N 0 0 193.202 1.071 10 0 ADAERN c1ccn(Cc2cn[nH]c2)c1 42356568 351521259 /nfs/dbraw/zinc/52/12/59/351521259.db2.gz XQWMVMTUVDOGEY-UHFFFAOYSA-N 0 0 147.181 1.260 10 0 ADAERN CC[C@@H](C)[C@H](C)Nc1ncc(N)cn1 42552787 351524033 /nfs/dbraw/zinc/52/40/33/351524033.db2.gz VMHORAGHQOCFKN-SFYZADRCSA-N 0 0 194.282 1.905 10 0 ADAERN CC[C@@H](C(C)C)N1C(=O)C=C(C)C1=O 42590414 351524537 /nfs/dbraw/zinc/52/45/37/351524537.db2.gz LGIQBHXWRCEDNB-VIFPVBQESA-N 0 0 195.262 1.736 10 0 ADAERN OC[C@@H]1CCCN1c1ccc(F)cn1 42434746 351521969 /nfs/dbraw/zinc/52/19/69/351521969.db2.gz DCGUYSJULFMALT-VIFPVBQESA-N 0 0 196.225 1.182 10 0 ADAERN O=c1[nH]cc(-c2cccc(F)c2)[nH]1 42750032 351523829 /nfs/dbraw/zinc/52/38/29/351523829.db2.gz IIVMMLZYQUUZTL-UHFFFAOYSA-N 0 0 178.166 1.509 10 0 ADAERN CC[C@@H](C)[C@@H](C)Nc1ncc(N)cn1 42552782 351523897 /nfs/dbraw/zinc/52/38/97/351523897.db2.gz VMHORAGHQOCFKN-HTQZYQBOSA-N 0 0 194.282 1.905 10 0 ADAERN C[C@@H]1CCCC[C@H]1N(C)C(N)=S 42608895 351524066 /nfs/dbraw/zinc/52/40/66/351524066.db2.gz ZYDGPGFUQPAESJ-HTQZYQBOSA-N 0 0 186.324 1.741 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N(C)C(N)=S 42608893 351524514 /nfs/dbraw/zinc/52/45/14/351524514.db2.gz ZYDGPGFUQPAESJ-SFYZADRCSA-N 0 0 186.324 1.741 10 0 ADAERN O=Cc1cccn1C[C@@H]1CCCCO1 42824320 351526114 /nfs/dbraw/zinc/52/61/14/351526114.db2.gz CCKDKJPCBKEPIL-NSHDSACASA-N 0 0 193.246 1.870 10 0 ADAERN S=c1[nH]ncn1C[C@@H]1CCCCO1 42823077 351526362 /nfs/dbraw/zinc/52/63/62/351526362.db2.gz LFUARVPHPUUAQG-ZETCQYMHSA-N 0 0 199.279 1.510 10 0 ADAERN S=c1[nH]ncn1C[C@H]1CCCCO1 42823081 351526619 /nfs/dbraw/zinc/52/66/19/351526619.db2.gz LFUARVPHPUUAQG-SSDOTTSWSA-N 0 0 199.279 1.510 10 0 ADAERN O=Cc1cccn1C[C@H]1CCCCO1 42824323 351526802 /nfs/dbraw/zinc/52/68/02/351526802.db2.gz CCKDKJPCBKEPIL-LLVKDONJSA-N 0 0 193.246 1.870 10 0 ADAERN CC[C@@H](C(N)=S)n1cccn1 43540905 351531058 /nfs/dbraw/zinc/53/10/58/351531058.db2.gz IULXZJCTQSTNTN-LURJTMIESA-N 0 0 169.253 1.120 10 0 ADAERN CC[C@@H](C(N)=S)n1nc(C)nc1C 43541089 351531181 /nfs/dbraw/zinc/53/11/81/351531181.db2.gz XXFPIIZJHDLWQP-ZETCQYMHSA-N 0 0 198.295 1.132 10 0 ADAERN CC(C)CCc1nsc(N)n1 43374125 351527595 /nfs/dbraw/zinc/52/75/95/351527595.db2.gz WSFBPJSDIOMLEV-UHFFFAOYSA-N 0 0 171.269 1.709 10 0 ADAERN CC(C)CCc1nccc(=O)[nH]1 43374135 351527752 /nfs/dbraw/zinc/52/77/52/351527752.db2.gz SLJDNNKZKKXHTC-UHFFFAOYSA-N 0 0 166.224 1.359 10 0 ADAERN CCn1cc([C@H](O)C(C)C)cn1 43468504 351528615 /nfs/dbraw/zinc/52/86/15/351528615.db2.gz YMAWTNORBGFVHL-SECBINFHSA-N 0 0 168.240 1.592 10 0 ADAERN CCn1cc([C@@H](O)C2CC2)cn1 43468565 351528977 /nfs/dbraw/zinc/52/89/77/351528977.db2.gz SUBVYMMDLAIJPC-VIFPVBQESA-N 0 0 166.224 1.346 10 0 ADAERN C[C@@H](OC(C)(C)C)C(N)=S 43515190 351529516 /nfs/dbraw/zinc/52/95/16/351529516.db2.gz OWPXYONAXQHUMD-RXMQYKEDSA-N 0 0 161.270 1.476 10 0 ADAERN CC(C)CO[C@H](C)C(N)=S 43515000 351529573 /nfs/dbraw/zinc/52/95/73/351529573.db2.gz RMHWPPAPLLYJDG-ZCFIWIBFSA-N 0 0 161.270 1.334 10 0 ADAERN CC[C@@H](C(N)=S)n1ccnc1 43540913 351530640 /nfs/dbraw/zinc/53/06/40/351530640.db2.gz VPPOTFGFUXWSRZ-LURJTMIESA-N 0 0 169.253 1.120 10 0 ADAERN CC[C@@H](C(N)=S)n1cc(C)cn1 43541039 351530673 /nfs/dbraw/zinc/53/06/73/351530673.db2.gz RSFYGMVJEWHAFF-ZETCQYMHSA-N 0 0 183.280 1.429 10 0 ADAERN CC[C@@H](C)c1csc(=NN)[nH]1 43559995 351531940 /nfs/dbraw/zinc/53/19/40/351531940.db2.gz HUWOQXQOYDQZBE-RXMQYKEDSA-N 0 0 171.269 1.942 10 0 ADAERN C[C@@H]1CCCc2sc(=NN)[nH]c21 43560055 351532131 /nfs/dbraw/zinc/53/21/31/351532131.db2.gz XPQXJEZPIUWEPC-RXMQYKEDSA-N 0 0 183.280 1.869 10 0 ADAERN C[C@@H]1CCc2[nH]c(=NN)sc2C1 43560035 351532212 /nfs/dbraw/zinc/53/22/12/351532212.db2.gz CXXNAYMYYOWGAJ-RXMQYKEDSA-N 0 0 183.280 1.554 10 0 ADAERN CCSc1cc(N)ccn1 43569702 351532307 /nfs/dbraw/zinc/53/23/07/351532307.db2.gz XNWVUYBGFGDAKN-UHFFFAOYSA-N 0 0 154.238 1.776 10 0 ADAERN C[C@@H]1Oc2cc3c(cc2C1=O)OCO3 43633172 351532555 /nfs/dbraw/zinc/53/25/55/351532555.db2.gz KKBSEUNVZKPUGD-YFKPBYRVSA-N 0 0 192.170 1.379 10 0 ADAERN CC[C@@H](C)Cn1nc(C)cc1N 43664749 351532932 /nfs/dbraw/zinc/53/29/32/351532932.db2.gz GGMMMPYPXGQHMS-SSDOTTSWSA-N 0 0 167.256 1.820 10 0 ADAERN C[C@@H]1C[C@H](OCC(N)=O)CC(C)(C)C1 43639424 351532948 /nfs/dbraw/zinc/53/29/48/351532948.db2.gz MYRAMHXUUPCJBB-BDAKNGLRSA-N 0 0 199.294 1.703 10 0 ADAERN C[C@@H]1C[C@@H](OCC(N)=O)CC(C)(C)C1 43639426 351533406 /nfs/dbraw/zinc/53/34/06/351533406.db2.gz MYRAMHXUUPCJBB-RKDXNWHRSA-N 0 0 199.294 1.703 10 0 ADAERN O=c1ccc(-c2ccccc2O)c[nH]1 44063009 351534630 /nfs/dbraw/zinc/53/46/30/351534630.db2.gz HRLJQRWNVLKPKJ-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=c1cccc(-c2cccnc2)[nH]1 44062919 351534674 /nfs/dbraw/zinc/53/46/74/351534674.db2.gz JRIJWEJTBVBYKR-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1cccc(-c2ccco2)[nH]1 44062905 351534712 /nfs/dbraw/zinc/53/47/12/351534712.db2.gz GODUVOSSXJHPKL-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN O=c1cccc(-c2ccoc2)[nH]1 44062931 351534861 /nfs/dbraw/zinc/53/48/61/351534861.db2.gz KCBAOFOKUAYWRY-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN O=c1ccc(-c2ccoc2)c[nH]1 44062985 351534876 /nfs/dbraw/zinc/53/48/76/351534876.db2.gz WVNHLHBRQCLEDV-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN O=C1CSC(c2cncnc2)=N1 44121762 351535210 /nfs/dbraw/zinc/53/52/10/351535210.db2.gz SDMSCYRFFZEAGS-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN O=c1cccc(C2CCC2)[nH]1 44118928 351535215 /nfs/dbraw/zinc/53/52/15/351535215.db2.gz VUTLMMMBSSGLQH-UHFFFAOYSA-N 0 0 149.193 1.642 10 0 ADAERN O=C1CSC(C2CC2)=N1 44118805 351535241 /nfs/dbraw/zinc/53/52/41/351535241.db2.gz CCJADMMAJCAXJV-UHFFFAOYSA-N 0 0 141.195 1.726 10 0 ADAERN O=c1cnc(OC2CCC2)c[nH]1 44117421 351535249 /nfs/dbraw/zinc/53/52/49/351535249.db2.gz IYOOVGSAFGPIBU-UHFFFAOYSA-N 0 0 166.180 1.114 10 0 ADAERN O=c1cc[nH]c(C2CCC2)c1 44118305 351535282 /nfs/dbraw/zinc/53/52/82/351535282.db2.gz SZRHWNCYNHQTFE-UHFFFAOYSA-N 0 0 149.193 1.642 10 0 ADAERN O=c1cncc(C2CCCC2)[nH]1 44119952 351535291 /nfs/dbraw/zinc/53/52/91/351535291.db2.gz QYADAABQFGHERL-UHFFFAOYSA-N 0 0 164.208 1.428 10 0 ADAERN O=c1cc[nH]c(-c2ccoc2)c1 44118381 351535385 /nfs/dbraw/zinc/53/53/85/351535385.db2.gz LBDRMPLURXCXTP-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN O=c1cncc(-c2ccncc2)[nH]1 44121667 351535452 /nfs/dbraw/zinc/53/54/52/351535452.db2.gz KWPZCULYYUFRFQ-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN O=c1cncc(C2=CCCCC2)[nH]1 44121705 351535469 /nfs/dbraw/zinc/53/54/69/351535469.db2.gz XSKJBZGKSDOAKW-UHFFFAOYSA-N 0 0 176.219 1.727 10 0 ADAERN O=c1cccc(-c2cscn2)[nH]1 44120323 351535560 /nfs/dbraw/zinc/53/55/60/351535560.db2.gz ZLZOHTZRLMEJSA-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1cnc(-c2ccoc2)c[nH]1 44117371 351535569 /nfs/dbraw/zinc/53/55/69/351535569.db2.gz HMRYZAZSAPYPOX-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN Oc1ccc(-c2cscn2)nc1 44121390 351535576 /nfs/dbraw/zinc/53/55/76/351535576.db2.gz REPMAFHJQGBPOT-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN O=c1cncc(-c2ccoc2)[nH]1 44120005 351535594 /nfs/dbraw/zinc/53/55/94/351535594.db2.gz GBZLKEXXQXMVCW-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=c1cc(C2CCC2)cc[nH]1 44118939 351535624 /nfs/dbraw/zinc/53/56/24/351535624.db2.gz ADVWFICHPVBFTM-UHFFFAOYSA-N 0 0 149.193 1.642 10 0 ADAERN O=c1cc[nH]c(-c2ccncc2)c1 44118514 351535627 /nfs/dbraw/zinc/53/56/27/351535627.db2.gz SZBMQDKJFCRTAM-UHFFFAOYSA-N 0 0 172.187 1.437 10 0 ADAERN O=c1cc[nH]c(-c2ccco2)c1 44118883 351535677 /nfs/dbraw/zinc/53/56/77/351535677.db2.gz YAIPBHUVERCNPJ-UHFFFAOYSA-N 0 0 161.160 1.635 10 0 ADAERN Oc1cn2ccnc2c(C2CC2)n1 44120676 351535693 /nfs/dbraw/zinc/53/56/93/351535693.db2.gz CQCVYCNVUTYJNF-UHFFFAOYSA-N 0 0 175.191 1.312 10 0 ADAERN O=c1cncc(-c2cccs2)[nH]1 44119983 351535696 /nfs/dbraw/zinc/53/56/96/351535696.db2.gz DZIYEBDQDDFEML-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1cncc(-c2ccsc2)[nH]1 44119995 351535702 /nfs/dbraw/zinc/53/57/02/351535702.db2.gz UVVNVTHCUNHEMM-UHFFFAOYSA-N 0 0 178.216 1.498 10 0 ADAERN O=c1ccnc(-c2ccoc2)[nH]1 44117093 351535733 /nfs/dbraw/zinc/53/57/33/351535733.db2.gz TYIGXXPCJXTGLX-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=C1CSC(c2ccccn2)=N1 44121330 351535754 /nfs/dbraw/zinc/53/57/54/351535754.db2.gz YZUBZLXFGRJLIE-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN O=c1cncc(C2CCCCC2)[nH]1 44119962 351535805 /nfs/dbraw/zinc/53/58/05/351535805.db2.gz WJDLDQCFFVPFGB-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN O=C1CN=C(C2CC2)S1 44119638 351535809 /nfs/dbraw/zinc/53/58/09/351535809.db2.gz ZZENVLXECPYCBS-UHFFFAOYSA-N 0 0 141.195 1.726 10 0 ADAERN O=c1cncc(-c2ccco2)[nH]1 44119972 351535815 /nfs/dbraw/zinc/53/58/15/351535815.db2.gz FBYYAOCCSMKIJZ-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O[C@H]1CCOC[C@@H]1Oc1ccccc1 44212841 351536370 /nfs/dbraw/zinc/53/63/70/351536370.db2.gz PKGGQTWJRNWIHB-QWRGUYRKSA-N 0 0 194.230 1.215 10 0 ADAERN CCO[C@H]1Cc2ccccc2[C@@H]1O 44193274 351536390 /nfs/dbraw/zinc/53/63/90/351536390.db2.gz RTHICFRWWVMVIZ-QWRGUYRKSA-N 0 0 178.231 1.681 10 0 ADAERN CCO[C@@H]1CCCCC[C@H]1O 44193377 351536406 /nfs/dbraw/zinc/53/64/06/351536406.db2.gz KYHZAGPSMLFNOG-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN O[C@@H]1CCOC[C@H]1Oc1ccccc1 44212844 351536410 /nfs/dbraw/zinc/53/64/10/351536410.db2.gz PKGGQTWJRNWIHB-GHMZBOCLSA-N 0 0 194.230 1.215 10 0 ADAERN O[C@@H]1CCCC[C@@H]1OCC1CC1 44231899 351536414 /nfs/dbraw/zinc/53/64/14/351536414.db2.gz NBPICMLVOYDWAQ-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN CCO[C@@H]1COc2ccccc2[C@@H]1O 44193062 351536419 /nfs/dbraw/zinc/53/64/19/351536419.db2.gz DEVVIVKTZBEIET-MNOVXSKESA-N 0 0 194.230 1.518 10 0 ADAERN O[C@H]1CCOC[C@H]1Oc1ccccc1 44212838 351536450 /nfs/dbraw/zinc/53/64/50/351536450.db2.gz PKGGQTWJRNWIHB-WDEREUQCSA-N 0 0 194.230 1.215 10 0 ADAERN CCOc1cc(C(=O)OC)ccc1O 44199482 351536496 /nfs/dbraw/zinc/53/64/96/351536496.db2.gz FSYOMFADSJUQJN-UHFFFAOYSA-N 0 0 196.202 1.578 10 0 ADAERN O[C@@H]1CCC[C@@H]1OCC(F)(F)F 44192419 351536501 /nfs/dbraw/zinc/53/65/01/351536501.db2.gz HTPCQGPDRKVYRK-RITPCOANSA-N 0 0 184.157 1.479 10 0 ADAERN CCO[C@H]1CCCCC[C@H]1O 44193380 351536514 /nfs/dbraw/zinc/53/65/14/351536514.db2.gz KYHZAGPSMLFNOG-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CCO[C@@H]1CCCCC[C@@H]1O 44193371 351536557 /nfs/dbraw/zinc/53/65/57/351536557.db2.gz KYHZAGPSMLFNOG-DTWKUNHWSA-N 0 0 158.241 1.717 10 0 ADAERN CCO[C@H]1Cc2ccccc2[C@H]1O 44193281 351536605 /nfs/dbraw/zinc/53/66/05/351536605.db2.gz RTHICFRWWVMVIZ-WDEREUQCSA-N 0 0 178.231 1.681 10 0 ADAERN CC(C)CCOC[C@H](C)O 44218197 351536608 /nfs/dbraw/zinc/53/66/08/351536608.db2.gz LWLWGXUFNHIJGM-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN O[C@H]1CCCC[C@H]1OCC1CC1 44231911 351536628 /nfs/dbraw/zinc/53/66/28/351536628.db2.gz NBPICMLVOYDWAQ-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN OCc1ccc(F)c2cc[nH]c12 44184842 351536633 /nfs/dbraw/zinc/53/66/33/351536633.db2.gz ZKPDBWIAXAPRCT-UHFFFAOYSA-N 0 0 165.167 1.799 10 0 ADAERN CC(C)CO[C@@H](C)[C@@H](C)O 44219482 351536688 /nfs/dbraw/zinc/53/66/88/351536688.db2.gz MYMHFZQBBJNQFP-SFYZADRCSA-N 0 0 146.230 1.428 10 0 ADAERN C[C@@H]1CCC[C@@H](OCCO)C1 44230491 351536691 /nfs/dbraw/zinc/53/66/91/351536691.db2.gz YVUYYOKYSMSVPS-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)CO[C@H](C)[C@H](C)O 44219494 351536697 /nfs/dbraw/zinc/53/66/97/351536697.db2.gz MYMHFZQBBJNQFP-JGVFFNPUSA-N 0 0 146.230 1.428 10 0 ADAERN O[C@H]1CCC[C@H]1OCC(F)(F)F 44192410 351536708 /nfs/dbraw/zinc/53/67/08/351536708.db2.gz HTPCQGPDRKVYRK-NTSWFWBYSA-N 0 0 184.157 1.479 10 0 ADAERN O[C@@H]1CCOC[C@@H]1Oc1ccccc1 44212847 351536712 /nfs/dbraw/zinc/53/67/12/351536712.db2.gz PKGGQTWJRNWIHB-MNOVXSKESA-N 0 0 194.230 1.215 10 0 ADAERN C[C@@H]1CCC[C@H](OCCO)C1 44230483 351536743 /nfs/dbraw/zinc/53/67/43/351536743.db2.gz YVUYYOKYSMSVPS-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN O[C@@H]1CCC[C@H]1OCC(F)(F)F 44192413 351536749 /nfs/dbraw/zinc/53/67/49/351536749.db2.gz HTPCQGPDRKVYRK-PHDIDXHHSA-N 0 0 184.157 1.479 10 0 ADAERN CCO[C@@H]1Cc2ccccc2[C@H]1O 44193277 351536764 /nfs/dbraw/zinc/53/67/64/351536764.db2.gz RTHICFRWWVMVIZ-GHMZBOCLSA-N 0 0 178.231 1.681 10 0 ADAERN CCO[C@@H]1C[C@@H](C)CC[C@@H]1O 44193365 351536794 /nfs/dbraw/zinc/53/67/94/351536794.db2.gz XXPBCRONGRFHOC-XHNCKOQMSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)CO[C@@H](C)[C@H](C)O 44219490 351536799 /nfs/dbraw/zinc/53/67/99/351536799.db2.gz MYMHFZQBBJNQFP-YUMQZZPRSA-N 0 0 146.230 1.428 10 0 ADAERN OCc1cc(F)cc(F)c1O 44198963 351536806 /nfs/dbraw/zinc/53/68/06/351536806.db2.gz LFIGSZQZHSJDPH-UHFFFAOYSA-N 0 0 160.119 1.163 10 0 ADAERN C[C@@H]([C@@H](C)O)n1cnc2ccccc21 44181474 351536821 /nfs/dbraw/zinc/53/68/21/351536821.db2.gz FRYTYNLHDGCGBD-DTWKUNHWSA-N 0 0 190.246 1.978 10 0 ADAERN CCO[C@@H]1COc2ccccc2[C@H]1O 44193068 351536829 /nfs/dbraw/zinc/53/68/29/351536829.db2.gz DEVVIVKTZBEIET-GHMZBOCLSA-N 0 0 194.230 1.518 10 0 ADAERN CCO[C@H]1COc2ccccc2[C@H]1O 44193071 351536844 /nfs/dbraw/zinc/53/68/44/351536844.db2.gz DEVVIVKTZBEIET-WDEREUQCSA-N 0 0 194.230 1.518 10 0 ADAERN CCO[C@@H]1Cc2ccccc2[C@@H]1O 44193271 351536848 /nfs/dbraw/zinc/53/68/48/351536848.db2.gz RTHICFRWWVMVIZ-MNOVXSKESA-N 0 0 178.231 1.681 10 0 ADAERN C[C@@H]1NC(=O)[C@@H]1c1ccccc1 44256873 351537265 /nfs/dbraw/zinc/53/72/65/351537265.db2.gz FSWXDADMAWBTEN-CBAPKCEASA-N 0 0 161.204 1.289 10 0 ADAERN OCCc1ccc(F)c2cc[nH]c12 44381801 351537257 /nfs/dbraw/zinc/53/72/57/351537257.db2.gz DBJBQCWHBHDFFM-UHFFFAOYSA-N 0 0 179.194 1.842 10 0 ADAERN OCCc1c(F)ccc(F)c1F 44380600 351537433 /nfs/dbraw/zinc/53/74/33/351537433.db2.gz OVLNHUHKVMDBNI-UHFFFAOYSA-N 0 0 176.137 1.639 10 0 ADAERN c1cnc2[nH]c(-c3cnccn3)nc2c1 44265204 351537653 /nfs/dbraw/zinc/53/76/53/351537653.db2.gz MISVJWZFDKVCIX-UHFFFAOYSA-N 0 0 197.201 1.415 10 0 ADAERN OCCc1cccc2cc[nH]c12 44380057 351537736 /nfs/dbraw/zinc/53/77/36/351537736.db2.gz URTUZTSLWOONOL-UHFFFAOYSA-N 0 0 161.204 1.703 10 0 ADAERN OCCc1ccc(F)c2[nH]ccc12 44381788 351537774 /nfs/dbraw/zinc/53/77/74/351537774.db2.gz XLESFQHKCNKERV-UHFFFAOYSA-N 0 0 179.194 1.842 10 0 ADAERN O=Cc1c[nH]c2cncc(F)c12 44713271 351539813 /nfs/dbraw/zinc/53/98/13/351539813.db2.gz PQSDMTIGORRPOD-UHFFFAOYSA-N 0 0 164.139 1.515 10 0 ADAERN O=Cc1c[nH]c2cc(O)cnc12 44712964 351539836 /nfs/dbraw/zinc/53/98/36/351539836.db2.gz MAMXUJRBJZDAMH-UHFFFAOYSA-N 0 0 162.148 1.081 10 0 ADAERN c1ccc(SN2CCOCC2)nc1 45814883 351544995 /nfs/dbraw/zinc/54/49/95/351544995.db2.gz MHMFSANMHFVZSY-UHFFFAOYSA-N 0 0 196.275 1.421 10 0 ADAERN c1ccn2cccc[nH]c-2nc1 45800788 351543048 /nfs/dbraw/zinc/54/30/48/351543048.db2.gz SRPDFLKYIZXMBW-UHFFFAOYSA-N 0 0 159.192 1.763 10 0 ADAERN c1nc2c(ccc3onnc32)[nH]1 45238471 351543049 /nfs/dbraw/zinc/54/30/49/351543049.db2.gz PCMLRMRFUXHOTR-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN c1cc2c(ncc3conc32)[nH]1 45814149 351543054 /nfs/dbraw/zinc/54/30/54/351543054.db2.gz QQBFDJZKABXINA-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN OCCOCc1nc2ccccc2[nH]1 45238533 351543058 /nfs/dbraw/zinc/54/30/58/351543058.db2.gz VYCBOITURIKXOK-UHFFFAOYSA-N 0 0 192.218 1.072 10 0 ADAERN C[C@@H]1NC(=O)O[C@H]2CCC[C@@H]12 45809754 351543065 /nfs/dbraw/zinc/54/30/65/351543065.db2.gz FOTWNOVSMGCBPD-ACZMJKKPSA-N 0 0 155.197 1.283 10 0 ADAERN c1cc2n[nH]nc2c2conc12 45814161 351543071 /nfs/dbraw/zinc/54/30/71/351543071.db2.gz VQGNRAFAWDHDFX-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN c1ccn(-c2cc[nH]c2)c1 45796688 351543080 /nfs/dbraw/zinc/54/30/80/351543080.db2.gz JDXJCIQNDULALG-UHFFFAOYSA-N 0 0 132.166 1.805 10 0 ADAERN c1cn2cnc3cc[nH]c3c2n1 45800786 351543094 /nfs/dbraw/zinc/54/30/94/351543094.db2.gz WKUZWNQPTNIAAB-UHFFFAOYSA-N 0 0 158.164 1.211 10 0 ADAERN c1ccc2c(c1)nc1n2NSC1 45238326 351543101 /nfs/dbraw/zinc/54/31/01/351543101.db2.gz VEINOLHERXPMLU-UHFFFAOYSA-N 0 0 177.232 1.742 10 0 ADAERN O=Cc1ccc2[nH]c(=O)sc2c1 45235985 351543152 /nfs/dbraw/zinc/54/31/52/351543152.db2.gz PLOXCHZVADFDRO-UHFFFAOYSA-N 0 0 179.200 1.402 10 0 ADAERN c1cn2ccc3[nH]cc1c32 45796681 351543172 /nfs/dbraw/zinc/54/31/72/351543172.db2.gz MLHDASQMYXHNNZ-UHFFFAOYSA-N 0 0 130.150 1.858 10 0 ADAERN OCCOc1nc2ccccc2s1 45237032 351543307 /nfs/dbraw/zinc/54/33/07/351543307.db2.gz YWCPLZMDFHCNRN-UHFFFAOYSA-N 0 0 195.243 1.667 10 0 ADAERN OCCc1ccc2scnc2c1 45236260 351543328 /nfs/dbraw/zinc/54/33/28/351543328.db2.gz QKAPRCYTMBEGAY-UHFFFAOYSA-N 0 0 179.244 1.831 10 0 ADAERN c1cc2c3c(onc3c1)CCN2 45814157 351543402 /nfs/dbraw/zinc/54/34/02/351543402.db2.gz UUYQTRJNQCNMBX-UHFFFAOYSA-N 0 0 160.176 1.796 10 0 ADAERN O=Cc1cncc2cccn12 45793448 351543414 /nfs/dbraw/zinc/54/34/14/351543414.db2.gz NHOSPDXZJOXFJX-UHFFFAOYSA-N 0 0 146.149 1.147 10 0 ADAERN c1noc2c1cnc1n[nH]cc12 45814169 351543461 /nfs/dbraw/zinc/54/34/61/351543461.db2.gz LFMNCBVAAGKPIM-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN O=Cc1nc2cscc2[nH]1 45793526 351543600 /nfs/dbraw/zinc/54/36/00/351543600.db2.gz XNTKSUBBYUAQHW-UHFFFAOYSA-N 0 0 152.178 1.437 10 0 ADAERN c1cc2c(cn1)ncc1nc[nH]c12 45821196 351544133 /nfs/dbraw/zinc/54/41/33/351544133.db2.gz GALJZRVFTQQJLR-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN OCc1[nH]nc2c1CCCC2 45821416 351544186 /nfs/dbraw/zinc/54/41/86/351544186.db2.gz UGKVFYAMYAMMIP-MRVPVSSYSA-N 0 0 152.197 1.641 10 0 ADAERN OCc1[nH]nc2c1CCCC2 45821414 351544277 /nfs/dbraw/zinc/54/42/77/351544277.db2.gz UGKVFYAMYAMMIP-QMMMGPOBSA-N 0 0 152.197 1.641 10 0 ADAERN c1ccc2c(c1)[nH]n1ncnc21 45821528 351544608 /nfs/dbraw/zinc/54/46/08/351544608.db2.gz MSPDXDGAEOYRQQ-UHFFFAOYSA-N 0 0 158.164 1.211 10 0 ADAERN c1nc2c(ccc3c[nH]nc32)o1 45820512 351544855 /nfs/dbraw/zinc/54/48/55/351544855.db2.gz KILWPWKXLHERSW-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN O=c1cnc2cccc(F)c2[nH]1 45823577 351544861 /nfs/dbraw/zinc/54/48/61/351544861.db2.gz ZHHVHNXHZINQDX-UHFFFAOYSA-N 0 0 164.139 1.062 10 0 ADAERN c1nc2cnc3cocc3c2[nH]1 45820908 351545086 /nfs/dbraw/zinc/54/50/86/351545086.db2.gz FVKPYYIBKYFDAK-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN C[C@H]1CN(CC(F)(F)F)CCC1=O 49693549 351548667 /nfs/dbraw/zinc/54/86/67/351548667.db2.gz YPGOQXLQWHSQOE-LURJTMIESA-N 0 0 195.184 1.460 10 0 ADAERN C[C@@H]1CN(CC(F)(F)F)CCC1=O 49693548 351548605 /nfs/dbraw/zinc/54/86/05/351548605.db2.gz YPGOQXLQWHSQOE-ZCFIWIBFSA-N 0 0 195.184 1.460 10 0 ADAERN CC(C)(O)c1nc2cc(N)ccc2o1 50039577 351550174 /nfs/dbraw/zinc/55/01/74/351550174.db2.gz VPNANRNHJPFNOM-UHFFFAOYSA-N 0 0 192.218 1.637 10 0 ADAERN CC(C)(O)c1nc2cccnc2[nH]1 50039621 351551932 /nfs/dbraw/zinc/55/19/32/351551932.db2.gz RYCJMBKQYHCGTJ-UHFFFAOYSA-N 0 0 177.207 1.185 10 0 ADAERN CC(C)CNC(=O)c1cccnc1N 50201385 351552049 /nfs/dbraw/zinc/55/20/49/351552049.db2.gz XDOGSFGAIXGSDR-UHFFFAOYSA-N 0 0 193.250 1.050 10 0 ADAERN CC[C@@H](C)c1coc(N)n1 50266250 351553366 /nfs/dbraw/zinc/55/33/66/351553366.db2.gz URUNGYXBHNWRCT-RXMQYKEDSA-N 0 0 140.186 1.770 10 0 ADAERN O[C@H](C1=CCCCC1)[C@@H]1CCOC1 50328773 351553370 /nfs/dbraw/zinc/55/33/70/351553370.db2.gz DBGCMTRDVULZOK-GHMZBOCLSA-N 0 0 182.263 1.884 10 0 ADAERN O[C@H](C1=CCCCC1)[C@H]1CCOC1 50328775 351553423 /nfs/dbraw/zinc/55/34/23/351553423.db2.gz DBGCMTRDVULZOK-WDEREUQCSA-N 0 0 182.263 1.884 10 0 ADAERN CC(C)(O)Cn1ncc2ccccc21 50527012 351553955 /nfs/dbraw/zinc/55/39/55/351553955.db2.gz SXLWPWIFFWPNHA-UHFFFAOYSA-N 0 0 190.246 1.807 10 0 ADAERN CC[C@@H](C)Cn1cc(N)cn1 50424449 351553970 /nfs/dbraw/zinc/55/39/70/351553970.db2.gz UOSXJXVKJNEFMD-SSDOTTSWSA-N 0 0 153.229 1.511 10 0 ADAERN CCOc1ccc(C)nc1N 50440844 351554219 /nfs/dbraw/zinc/55/42/19/351554219.db2.gz LWYZLVDQESKPIC-UHFFFAOYSA-N 0 0 152.197 1.371 10 0 ADAERN CC[C@@H](C)[S@@](=O)c1ccncc1N 50478232 351554570 /nfs/dbraw/zinc/55/45/70/351554570.db2.gz AJQWMJCOZOJTHF-UHLUBPPHSA-N 0 0 198.291 1.570 10 0 ADAERN C[C@@H]([C@@H](C)O)n1ncc2ccccc21 50527808 351554587 /nfs/dbraw/zinc/55/45/87/351554587.db2.gz CBEZQNQLBPOJJE-DTWKUNHWSA-N 0 0 190.246 1.978 10 0 ADAERN CC[C@@H](C)[S@](=O)c1ccncc1N 50478234 351554609 /nfs/dbraw/zinc/55/46/09/351554609.db2.gz AJQWMJCOZOJTHF-FUXBKTLASA-N 0 0 198.291 1.570 10 0 ADAERN C[C@@H](O)c1ccccc1NC=O 50607528 351555386 /nfs/dbraw/zinc/55/53/86/351555386.db2.gz QLWWFKDXFNKDKF-SSDOTTSWSA-N 0 0 165.192 1.308 10 0 ADAERN C[C@@H]1CCCN1Cc1nnsc1N 50791638 351555424 /nfs/dbraw/zinc/55/54/24/351555424.db2.gz SJRVFYHEPOZZER-ZCFIWIBFSA-N 0 0 198.295 1.105 10 0 ADAERN CCSCc1ccc(N)nc1 50833708 351555620 /nfs/dbraw/zinc/55/56/20/351555620.db2.gz OUVBHYKOYFBFHU-UHFFFAOYSA-N 0 0 168.265 1.917 10 0 ADAERN CCSCc1nnsc1N 50833706 351555659 /nfs/dbraw/zinc/55/56/59/351555659.db2.gz JWBIAIGDKQJMOA-UHFFFAOYSA-N 0 0 175.282 1.373 10 0 ADAERN CC(C)CCc1nccc(N)n1 50847167 351555685 /nfs/dbraw/zinc/55/56/85/351555685.db2.gz UOPSNFMRNJOGIH-UHFFFAOYSA-N 0 0 165.240 1.647 10 0 ADAERN CCSCc1nnsc1NN 51150301 351556536 /nfs/dbraw/zinc/55/65/36/351556536.db2.gz SKZAFWCBEFEZIY-UHFFFAOYSA-N 0 0 190.297 1.077 10 0 ADAERN C[C@@H]1CCCN1c1cccc(CO)n1 51041672 351556610 /nfs/dbraw/zinc/55/66/10/351556610.db2.gz DRPWCQVBFUCVBS-SECBINFHSA-N 0 0 192.262 1.563 10 0 ADAERN C[C@@H]1CCN(C(N)=S)[C@H](C)C1 51731777 351559036 /nfs/dbraw/zinc/55/90/36/351559036.db2.gz NGEGCLOHGLABAM-RNFRBKRXSA-N 0 0 172.297 1.350 10 0 ADAERN CC[C@@H](C)c1nc(C)cc(N)n1 51690784 351559219 /nfs/dbraw/zinc/55/92/19/351559219.db2.gz BWRYXHDSKASIEE-ZCFIWIBFSA-N 0 0 165.240 1.881 10 0 ADAERN C[C@@H]1CCN(C(N)=O)[C@H](C)C1 51731853 351559305 /nfs/dbraw/zinc/55/93/05/351559305.db2.gz AZVXXEKGMVYRHR-RNFRBKRXSA-N 0 0 156.229 1.186 10 0 ADAERN O=Cc1csc([C@H]2CCOC2)n1 51691472 351559315 /nfs/dbraw/zinc/55/93/15/351559315.db2.gz QTMCGZVBOCQYRO-LURJTMIESA-N 0 0 183.232 1.460 10 0 ADAERN O=Cc1csc([C@@H]2CCOC2)n1 51691470 351559363 /nfs/dbraw/zinc/55/93/63/351559363.db2.gz QTMCGZVBOCQYRO-ZCFIWIBFSA-N 0 0 183.232 1.460 10 0 ADAERN O=Cc1cnc([C@H]2CCOC2)s1 51691358 351559469 /nfs/dbraw/zinc/55/94/69/351559469.db2.gz BIXGKNLBZWQEOE-LURJTMIESA-N 0 0 183.232 1.460 10 0 ADAERN c1cc(NC2CCC2)ncn1 52211357 351563573 /nfs/dbraw/zinc/56/35/73/351563573.db2.gz MLHWHRBVNUAWRI-UHFFFAOYSA-N 0 0 149.197 1.441 10 0 ADAERN C[C@@H]1CCN(c2ccnc(Cl)n2)C1 51849657 351560204 /nfs/dbraw/zinc/56/02/04/351560204.db2.gz NZEYAGKEEBVOSY-SSDOTTSWSA-N 0 0 197.669 1.976 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1sccc1N 52268727 351564604 /nfs/dbraw/zinc/56/46/04/351564604.db2.gz GXCPKHZBOALZKH-IYSWYEEDSA-N 0 0 196.275 1.469 10 0 ADAERN CC(C)CC(=O)N[C@H]1CCCC[C@H]1O 51989409 351562076 /nfs/dbraw/zinc/56/20/76/351562076.db2.gz MTADIKUUGOVKIF-VHSXEESVSA-N 0 0 199.294 1.452 10 0 ADAERN O=c1[nH]c2cc(F)cc(Cl)c2o1 52066122 351562137 /nfs/dbraw/zinc/56/21/37/351562137.db2.gz IYPCLFDXFBDVRX-UHFFFAOYSA-N 0 0 187.557 1.914 10 0 ADAERN O[C@H]1CCCC[C@@H]1NCC(F)F 52014962 351562391 /nfs/dbraw/zinc/56/23/91/351562391.db2.gz NLNUFGMGNQICLN-BQBZGAKWSA-N 0 0 179.210 1.145 10 0 ADAERN O[C@H]1CCCC[C@H]1Nc1cnccn1 52007108 351562487 /nfs/dbraw/zinc/56/24/87/351562487.db2.gz KHJFDCOIKCZZJN-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN CC(C)C(=O)N[C@@H]1CCCC[C@@H]1O 51989324 351562521 /nfs/dbraw/zinc/56/25/21/351562521.db2.gz SARPMMQQKIFLOG-BDAKNGLRSA-N 0 0 185.267 1.062 10 0 ADAERN O[C@@H]1CCCC[C@@H]1NCC(F)F 52014965 351562616 /nfs/dbraw/zinc/56/26/16/351562616.db2.gz NLNUFGMGNQICLN-NKWVEPMBSA-N 0 0 179.210 1.145 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nc1cnccn1 52007116 351562742 /nfs/dbraw/zinc/56/27/42/351562742.db2.gz KHJFDCOIKCZZJN-DTWKUNHWSA-N 0 0 193.250 1.192 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nc1ncccn1 52007137 351562791 /nfs/dbraw/zinc/56/27/91/351562791.db2.gz KORPQDYNFLUIAU-DTWKUNHWSA-N 0 0 193.250 1.192 10 0 ADAERN CC(C)C(=O)N[C@H]1CCCC[C@H]1O 51989330 351562837 /nfs/dbraw/zinc/56/28/37/351562837.db2.gz SARPMMQQKIFLOG-DTWKUNHWSA-N 0 0 185.267 1.062 10 0 ADAERN CC(C)CC(=O)N[C@@H]1CCCC[C@@H]1O 51989404 351562857 /nfs/dbraw/zinc/56/28/57/351562857.db2.gz MTADIKUUGOVKIF-ZJUUUORDSA-N 0 0 199.294 1.452 10 0 ADAERN O[C@H]1CCCC[C@H]1Nc1nccs1 52007171 351563015 /nfs/dbraw/zinc/56/30/15/351563015.db2.gz HUVCIYLRFWHNOK-SFYZADRCSA-N 0 0 198.291 1.859 10 0 ADAERN S=c1[nH]ncn1C1CCC1 52211837 351563299 /nfs/dbraw/zinc/56/32/99/351563299.db2.gz DBXZTYNEVUURKS-UHFFFAOYSA-N 0 0 155.226 1.666 10 0 ADAERN OCCOCC1CCCCC1 52156425 351563882 /nfs/dbraw/zinc/56/38/82/351563882.db2.gz JCYRHSFSQOJYJD-UHFFFAOYSA-N 0 0 158.241 1.576 10 0 ADAERN S=C1N=NC(NC2CCC2)S1 52211766 351563939 /nfs/dbraw/zinc/56/39/39/351563939.db2.gz QNEXGLSKEJEWMZ-UHFFFAOYSA-N 0 0 187.293 1.791 10 0 ADAERN c1n[nH]cc1NCC1CCOCC1 52175977 351563942 /nfs/dbraw/zinc/56/39/42/351563942.db2.gz UTMZWMYTFBCOEO-UHFFFAOYSA-N 0 0 181.239 1.248 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(N)cc1 52268159 351564538 /nfs/dbraw/zinc/56/45/38/351564538.db2.gz ZQHSBPBAZMTLFK-XCBNKYQSSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1cccc(N)c1 52268210 351564598 /nfs/dbraw/zinc/56/45/98/351564598.db2.gz CCCBXPSPDLZCMZ-XCBNKYQSSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccccc1N 52268235 351564600 /nfs/dbraw/zinc/56/46/00/351564600.db2.gz MKBFXEJZNSWDQP-GMSGAONNSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1N 52268230 351564632 /nfs/dbraw/zinc/56/46/32/351564632.db2.gz MKBFXEJZNSWDQP-XCBNKYQSSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1sccc1N 52268721 351565041 /nfs/dbraw/zinc/56/50/41/351565041.db2.gz GXCPKHZBOALZKH-VDTYLAMSSA-N 0 0 196.275 1.469 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(N)cc1 52268165 351565045 /nfs/dbraw/zinc/56/50/45/351565045.db2.gz ZQHSBPBAZMTLFK-GMSGAONNSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@@H]1C[C@@H]1NCC(F)F 52288029 351565891 /nfs/dbraw/zinc/56/58/91/351565891.db2.gz SGOMASDZSVRKHK-UHNVWZDZSA-N 0 0 135.157 1.250 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cccc(N)c1 52268215 351565169 /nfs/dbraw/zinc/56/51/69/351565169.db2.gz CCCBXPSPDLZCMZ-GMSGAONNSA-N 0 0 190.246 1.407 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccc(N)cn1 52273649 351565690 /nfs/dbraw/zinc/56/56/90/351565690.db2.gz DYSQADGGNRNBAU-HTRCEHHLSA-N 0 0 163.224 1.484 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccc(N)cn1 52273645 351565804 /nfs/dbraw/zinc/56/58/04/351565804.db2.gz DYSQADGGNRNBAU-SVRRBLITSA-N 0 0 163.224 1.484 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccc(N)nc1 52273713 351565859 /nfs/dbraw/zinc/56/58/59/351565859.db2.gz WKPJAWSCGMGRAJ-SVRRBLITSA-N 0 0 163.224 1.484 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncccc1N 52273492 351565877 /nfs/dbraw/zinc/56/58/77/351565877.db2.gz PFWVDJUQEBIPFJ-SVRRBLITSA-N 0 0 163.224 1.484 10 0 ADAERN C[C@@H]1C[C@@H]1NCC(F)(F)F 52288216 351565919 /nfs/dbraw/zinc/56/59/19/351565919.db2.gz ZSBLFAGTVUTSPD-UHNVWZDZSA-N 0 0 153.147 1.547 10 0 ADAERN C[C@@H]1C[C@H]1NCc1csnn1 52273474 351565927 /nfs/dbraw/zinc/56/59/27/351565927.db2.gz CQDFKQRDIKAICS-IYSWYEEDSA-N 0 0 169.253 1.036 10 0 ADAERN C[C@@H]1C[C@H]1NCC(F)(F)F 52288221 351565934 /nfs/dbraw/zinc/56/59/34/351565934.db2.gz ZSBLFAGTVUTSPD-RFZPGFLSSA-N 0 0 153.147 1.547 10 0 ADAERN C[C@@H]1C[C@@H]1NCc1csnn1 52273470 351565964 /nfs/dbraw/zinc/56/59/64/351565964.db2.gz CQDFKQRDIKAICS-VDTYLAMSSA-N 0 0 169.253 1.036 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncccc1C(N)=O 52291826 351566516 /nfs/dbraw/zinc/56/65/16/351566516.db2.gz FXTJKDVQEJCUAE-SVRRBLITSA-N 0 0 191.234 1.001 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccc(N)nc1 52273717 351566121 /nfs/dbraw/zinc/56/61/21/351566121.db2.gz WKPJAWSCGMGRAJ-HTRCEHHLSA-N 0 0 163.224 1.484 10 0 ADAERN C[C@@H]1C[C@H]1NCC(F)F 52288035 351566130 /nfs/dbraw/zinc/56/61/30/351566130.db2.gz SGOMASDZSVRKHK-RFZPGFLSSA-N 0 0 135.157 1.250 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cnccn1 52291748 351566338 /nfs/dbraw/zinc/56/63/38/351566338.db2.gz JCSRZSPPTVORSR-RNFRBKRXSA-N 0 0 149.197 1.297 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncccn1 52291764 351566363 /nfs/dbraw/zinc/56/63/63/351566363.db2.gz YCRGTUDLSCVOTM-RQJHMYQMSA-N 0 0 149.197 1.297 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncccn1 52291768 351566390 /nfs/dbraw/zinc/56/63/90/351566390.db2.gz YCRGTUDLSCVOTM-RNFRBKRXSA-N 0 0 149.197 1.297 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccnc(C(N)=O)c1 52291318 351566422 /nfs/dbraw/zinc/56/64/22/351566422.db2.gz OWXKDVOQCQXVOG-SVRRBLITSA-N 0 0 191.234 1.001 10 0 ADAERN C[C@@H]1C[C@H]1N1CCC(=O)CC1 52288662 351566435 /nfs/dbraw/zinc/56/64/35/351566435.db2.gz LGWBOCWSOJJSGQ-VXNVDRBHSA-N 0 0 153.225 1.060 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccnc(C(N)=O)c1 52291323 351566454 /nfs/dbraw/zinc/56/64/54/351566454.db2.gz OWXKDVOQCQXVOG-HTRCEHHLSA-N 0 0 191.234 1.001 10 0 ADAERN C[C@@H]1C[C@H]1NC1N=NC(=S)S1 52292509 351566481 /nfs/dbraw/zinc/56/64/81/351566481.db2.gz VBDCPKGIUOFJSB-QWWZWVQMSA-N 0 0 187.293 1.647 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccncn1 52290666 351566525 /nfs/dbraw/zinc/56/65/25/351566525.db2.gz FKKXPTBBONUQJL-RQJHMYQMSA-N 0 0 149.197 1.297 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccccn1 52290839 351566681 /nfs/dbraw/zinc/56/66/81/351566681.db2.gz VTVXWKOETNTMIH-HTQZYQBOSA-N 0 0 148.209 1.902 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccc(Cl)nn1 52291640 351566752 /nfs/dbraw/zinc/56/67/52/351566752.db2.gz SWORGMWVFRNMLP-PHDIDXHHSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@@H]1N1CCC(=O)CC1 52288658 351566758 /nfs/dbraw/zinc/56/67/58/351566758.db2.gz LGWBOCWSOJJSGQ-APPZFPTMSA-N 0 0 153.225 1.060 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccc(Cl)nn1 52291635 351566811 /nfs/dbraw/zinc/56/68/11/351566811.db2.gz SWORGMWVFRNMLP-RITPCOANSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncccc1C(N)=O 52291831 351566829 /nfs/dbraw/zinc/56/68/29/351566829.db2.gz FXTJKDVQEJCUAE-HTRCEHHLSA-N 0 0 191.234 1.001 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccncn1 52290671 351566834 /nfs/dbraw/zinc/56/68/34/351566834.db2.gz FKKXPTBBONUQJL-RNFRBKRXSA-N 0 0 149.197 1.297 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccnc(F)c1 52288597 351566840 /nfs/dbraw/zinc/56/68/40/351566840.db2.gz INKPXKPIVOLEBC-HTRCEHHLSA-N 0 0 194.209 1.359 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1 52288561 351566888 /nfs/dbraw/zinc/56/68/88/351566888.db2.gz HHTMWQJKFORBHH-XCBNKYQSSA-N 0 0 193.221 1.964 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccccn1 52290834 351566945 /nfs/dbraw/zinc/56/69/45/351566945.db2.gz VTVXWKOETNTMIH-SFYZADRCSA-N 0 0 148.209 1.902 10 0 ADAERN C[C@@H]1C[C@@H]1NC1N=NC(=S)S1 52292503 351566961 /nfs/dbraw/zinc/56/69/61/351566961.db2.gz VBDCPKGIUOFJSB-DMTCNVIQSA-N 0 0 187.293 1.647 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1nccs1 52291806 351567037 /nfs/dbraw/zinc/56/70/37/351567037.db2.gz SFVGUZNGKKBMQC-RITPCOANSA-N 0 0 154.238 1.963 10 0 ADAERN CC[C@@H](C)c1nc(C)n(N)c1N 52838341 351568943 /nfs/dbraw/zinc/56/89/43/351568943.db2.gz SDWDOAGSOPCGEE-RXMQYKEDSA-N 0 0 168.244 1.001 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1F 52288550 351567059 /nfs/dbraw/zinc/56/70/59/351567059.db2.gz KMZGRDJUNVRAQX-XCBNKYQSSA-N 0 0 193.221 1.964 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1 52288565 351567085 /nfs/dbraw/zinc/56/70/85/351567085.db2.gz HHTMWQJKFORBHH-GMSGAONNSA-N 0 0 193.221 1.964 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccnc(F)c1 52288592 351567128 /nfs/dbraw/zinc/56/71/28/351567128.db2.gz INKPXKPIVOLEBC-SVRRBLITSA-N 0 0 194.209 1.359 10 0 ADAERN c1cnnc(NCC2CC2)c1 52815839 351567377 /nfs/dbraw/zinc/56/73/77/351567377.db2.gz ZGYPLKAJSLJTOY-UHFFFAOYSA-N 0 0 149.197 1.299 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cncc(Cl)n1 52297971 351567421 /nfs/dbraw/zinc/56/74/21/351567421.db2.gz BESVQNMVPRIXEM-RITPCOANSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cncc(Cl)n1 52297976 351567439 /nfs/dbraw/zinc/56/74/39/351567439.db2.gz BESVQNMVPRIXEM-PHDIDXHHSA-N 0 0 183.642 1.950 10 0 ADAERN CC[C@@H](C)Nc1cccnn1 52815828 351567551 /nfs/dbraw/zinc/56/75/51/351567551.db2.gz UUFZJEBECLVEEK-SSDOTTSWSA-N 0 0 151.213 1.687 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1nccnc1Cl 52297981 351567600 /nfs/dbraw/zinc/56/76/00/351567600.db2.gz MDISHIFOZZDFGU-RITPCOANSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1CCC[C@@H](c2noc(N)n2)C1 52708813 351567791 /nfs/dbraw/zinc/56/77/91/351567791.db2.gz QBPPEAKAGIFUFS-RNFRBKRXSA-N 0 0 181.239 1.946 10 0 ADAERN C[C@@H]1C[C@H]1Nc1nccnc1Cl 52297987 351567888 /nfs/dbraw/zinc/56/78/88/351567888.db2.gz MDISHIFOZZDFGU-PHDIDXHHSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cc(Cl)ncn1 52297967 351567971 /nfs/dbraw/zinc/56/79/71/351567971.db2.gz MUIWHVMEQSJXME-PHDIDXHHSA-N 0 0 183.642 1.950 10 0 ADAERN c1cnnc(NC2CCCC2)c1 52815833 351568087 /nfs/dbraw/zinc/56/80/87/351568087.db2.gz ZYVKUKATNJBZNV-UHFFFAOYSA-N 0 0 163.224 1.831 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccnc(Cl)n1 52297913 351568183 /nfs/dbraw/zinc/56/81/83/351568183.db2.gz UVEDNEXEOIUZDK-PHDIDXHHSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccnc(Cl)n1 52297907 351568209 /nfs/dbraw/zinc/56/82/09/351568209.db2.gz UVEDNEXEOIUZDK-RITPCOANSA-N 0 0 183.642 1.950 10 0 ADAERN c1cnnc(NC[C@H]2CCCOC2)c1 52830951 351568567 /nfs/dbraw/zinc/56/85/67/351568567.db2.gz JOUPKKMBDXMKCJ-SECBINFHSA-N 0 0 193.250 1.315 10 0 ADAERN c1cnnc(NC[C@H]2CCCO2)c1 52815948 351568633 /nfs/dbraw/zinc/56/86/33/351568633.db2.gz KYDZKJCLIJTNGJ-MRVPVSSYSA-N 0 0 179.223 1.068 10 0 ADAERN c1cnnc(NC[C@@H]2CCCO2)c1 52815946 351568677 /nfs/dbraw/zinc/56/86/77/351568677.db2.gz KYDZKJCLIJTNGJ-QMMMGPOBSA-N 0 0 179.223 1.068 10 0 ADAERN c1cnnc(NCc2nccs2)c1 52831067 351568792 /nfs/dbraw/zinc/56/87/92/351568792.db2.gz OPJLSGGLCBGDPV-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN c1ccc(CNc2cccnn2)nc1 52815936 351568797 /nfs/dbraw/zinc/56/87/97/351568797.db2.gz ZVCWHBSNTZXXJO-UHFFFAOYSA-N 0 0 186.218 1.484 10 0 ADAERN CC(C)C(=O)NC1(CO)CCCCC1 53073808 351568837 /nfs/dbraw/zinc/56/88/37/351568837.db2.gz ZFGPPVLTQUMSAL-UHFFFAOYSA-N 0 0 199.294 1.454 10 0 ADAERN O[C@H]1CCCC[C@H]1Nc1cccnn1 52831405 351568854 /nfs/dbraw/zinc/56/88/54/351568854.db2.gz TWKFMKMVGCRQSR-BDAKNGLRSA-N 0 0 193.250 1.192 10 0 ADAERN OCC1(Nc2cccnn2)CCCC1 53070880 351568881 /nfs/dbraw/zinc/56/88/81/351568881.db2.gz VZOXPQAPHCLWDO-UHFFFAOYSA-N 0 0 193.250 1.194 10 0 ADAERN c1cnnc(NC2CCOCC2)c1 52816085 351568891 /nfs/dbraw/zinc/56/88/91/351568891.db2.gz IJHSEJDGTMOOCS-UHFFFAOYSA-N 0 0 179.223 1.068 10 0 ADAERN OCC1(Nc2ccccn2)CCCC1 53070913 351568929 /nfs/dbraw/zinc/56/89/29/351568929.db2.gz CCHKXHFQJHUWSY-UHFFFAOYSA-N 0 0 192.262 1.799 10 0 ADAERN c1cnnc(NCCc2ccco2)c1 52830955 351568969 /nfs/dbraw/zinc/56/89/69/351568969.db2.gz VRZWROWWHRLWLK-UHFFFAOYSA-N 0 0 189.218 1.724 10 0 ADAERN CC(C)CCNc1cccnn1 52815882 351569070 /nfs/dbraw/zinc/56/90/70/351569070.db2.gz ZSYWOYPWDACJKK-UHFFFAOYSA-N 0 0 165.240 1.935 10 0 ADAERN O[C@H]1CCCC[C@@H]1Nc1cccnn1 52831407 351569100 /nfs/dbraw/zinc/56/91/00/351569100.db2.gz TWKFMKMVGCRQSR-IUCAKERBSA-N 0 0 193.250 1.192 10 0 ADAERN c1cnnc(NC[C@H]2CCCCO2)c1 52831258 351569148 /nfs/dbraw/zinc/56/91/48/351569148.db2.gz DRSWDTWBHMANCG-SECBINFHSA-N 0 0 193.250 1.458 10 0 ADAERN c1cnnc(NCC[C@@H]2CCCO2)c1 52830988 351569190 /nfs/dbraw/zinc/56/91/90/351569190.db2.gz NPDQGWLRLQIVJV-VIFPVBQESA-N 0 0 193.250 1.458 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cccnn1 52831416 351569194 /nfs/dbraw/zinc/56/91/94/351569194.db2.gz RRXDSBBDTYAAHR-RQJHMYQMSA-N 0 0 149.197 1.297 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nc1cccnn1 52831411 351569197 /nfs/dbraw/zinc/56/91/97/351569197.db2.gz TWKFMKMVGCRQSR-DTWKUNHWSA-N 0 0 193.250 1.192 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cccnn1 52831420 351569202 /nfs/dbraw/zinc/56/92/02/351569202.db2.gz RRXDSBBDTYAAHR-RNFRBKRXSA-N 0 0 149.197 1.297 10 0 ADAERN c1cnnc(NC[C@@H]2CCCOC2)c1 52830949 351569219 /nfs/dbraw/zinc/56/92/19/351569219.db2.gz JOUPKKMBDXMKCJ-VIFPVBQESA-N 0 0 193.250 1.315 10 0 ADAERN c1cnnc(NCC2CCC2)c1 52815983 351569220 /nfs/dbraw/zinc/56/92/20/351569220.db2.gz ZJWGGJXVGMFYTQ-UHFFFAOYSA-N 0 0 163.224 1.689 10 0 ADAERN OCC1(Nc2ccncn2)CCCC1 53070895 351569237 /nfs/dbraw/zinc/56/92/37/351569237.db2.gz BBMXKJKZUILSCE-UHFFFAOYSA-N 0 0 193.250 1.194 10 0 ADAERN C[C@@H]1NCCn2c1nnc2C(C)(C)C 53710670 351569506 /nfs/dbraw/zinc/56/95/06/351569506.db2.gz ABHFGZNKOBPANG-ZETCQYMHSA-N 0 0 194.282 1.240 10 0 ADAERN O[C@@H]1CCCC[C@H]1c1cncnc1 53751463 351569582 /nfs/dbraw/zinc/56/95/82/351569582.db2.gz IZQCRODVEALFSB-VHSXEESVSA-N 0 0 178.235 1.495 10 0 in-vitro ADAERN c1ccc(NCCn2cncn2)cc1 53520337 351569821 /nfs/dbraw/zinc/56/98/21/351569821.db2.gz AFUSWMWDIMNSAL-UHFFFAOYSA-N 0 0 188.234 1.390 10 0 ADAERN O[C@H]1CCCC[C@@H]1c1cncnc1 53751461 351569882 /nfs/dbraw/zinc/56/98/82/351569882.db2.gz IZQCRODVEALFSB-ZJUUUORDSA-N 0 0 178.235 1.495 10 0 in-vitro ADAERN O[C@H]1CCCC[C@H]1c1cncnc1 53751459 351570333 /nfs/dbraw/zinc/57/03/33/351570333.db2.gz IZQCRODVEALFSB-UWVGGRQHSA-N 0 0 178.235 1.495 10 0 in-vitro ADAERN OC1(c2ccco2)CC1 54346782 351571132 /nfs/dbraw/zinc/57/11/32/351571132.db2.gz ZEIAJTIFCLIDQN-UHFFFAOYSA-N 0 0 124.139 1.261 10 0 ADAERN O=Cc1cc(C2CCCC2)[nH]n1 54079836 351571169 /nfs/dbraw/zinc/57/11/69/351571169.db2.gz HUMRJBQHTHBQAE-UHFFFAOYSA-N 0 0 164.208 1.880 10 0 ADAERN CC(C)(N)c1nc(-c2ccco2)no1 54445362 351572337 /nfs/dbraw/zinc/57/23/37/351572337.db2.gz NUVTWLPWOPRNLW-UHFFFAOYSA-N 0 0 193.206 1.523 10 0 ADAERN C[C@@H](O)c1nc2c(F)cccc2[nH]1 62365724 351587688 /nfs/dbraw/zinc/58/76/88/351587688.db2.gz COJXCIJVKLXPLL-RXMQYKEDSA-N 0 0 180.182 1.755 10 0 ADAERN C[C@@H](c1cccc(N)c1)n1cnnc1 54405066 351572683 /nfs/dbraw/zinc/57/26/83/351572683.db2.gz AIDKKRWAKKOWTA-QMMMGPOBSA-N 0 0 188.234 1.470 10 0 ADAERN CC[C@@H](C)CNc1ncc(N)cn1 54466619 351572834 /nfs/dbraw/zinc/57/28/34/351572834.db2.gz YWLZAUIULUDULC-SSDOTTSWSA-N 0 0 180.255 1.517 10 0 ADAERN CC[C@@H](C)CNc1cccnn1 54473959 351573614 /nfs/dbraw/zinc/57/36/14/351573614.db2.gz VNMQXVVZVVTFIS-MRVPVSSYSA-N 0 0 165.240 1.935 10 0 ADAERN CC[C@@H](C)CNc1c(N)c(C)nn1C 54466895 351573714 /nfs/dbraw/zinc/57/37/14/351573714.db2.gz NILIBPRUUCVJMT-SSDOTTSWSA-N 0 0 196.298 1.769 10 0 ADAERN CC[C@@H](C)CNc1ccncn1 54474031 351573938 /nfs/dbraw/zinc/57/39/38/351573938.db2.gz CLBJTDMVVAZELA-MRVPVSSYSA-N 0 0 165.240 1.935 10 0 ADAERN CC[C@@H](C)CNc1cnccn1 54474544 351574139 /nfs/dbraw/zinc/57/41/39/351574139.db2.gz USNCLGUMSPDMAB-MRVPVSSYSA-N 0 0 165.240 1.935 10 0 ADAERN c1ncc(CNc2cn[nH]c2)s1 54770528 351575640 /nfs/dbraw/zinc/57/56/40/351575640.db2.gz QOZPDTLTRYLESG-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN C[C@@H]1CCc2nnc(N)cc2C1 54930955 351576083 /nfs/dbraw/zinc/57/60/83/351576083.db2.gz MCDVVKJHWWAJEK-ZCFIWIBFSA-N 0 0 163.224 1.184 10 0 ADAERN CC[C@@H](C)c1ccc(N)nn1 54930944 351576217 /nfs/dbraw/zinc/57/62/17/351576217.db2.gz HWNPWLPRQUWPNF-ZCFIWIBFSA-N 0 0 151.213 1.572 10 0 ADAERN OCc1cnc(N2CCCC2)s1 54910299 351576354 /nfs/dbraw/zinc/57/63/54/351576354.db2.gz PQUQSBNCRFTOBK-UHFFFAOYSA-N 0 0 184.264 1.236 10 0 ADAERN O=Cc1cnc(CC(F)(F)F)nc1 54855227 351576534 /nfs/dbraw/zinc/57/65/34/351576534.db2.gz PGWWWXHNNVGOEW-UHFFFAOYSA-N 0 0 190.124 1.394 10 0 ADAERN C[C@@H]1CCCc2cc(N)nnc21 54930983 351576682 /nfs/dbraw/zinc/57/66/82/351576682.db2.gz CUTSOCPWNHEPRL-ZCFIWIBFSA-N 0 0 163.224 1.499 10 0 ADAERN O[C@@H]1CCC[C@@H]2[C@H]1[C@@H]2C(F)(F)F 57218824 351577502 /nfs/dbraw/zinc/57/75/02/351577502.db2.gz DWJWMRFZTXIIHF-DBRKOABJSA-N 0 0 180.169 1.956 10 0 ADAERN CC(C)(O)c1ccc2c(c1)OCCO2 55191784 351577616 /nfs/dbraw/zinc/57/76/16/351577616.db2.gz MVFXQRZQHILNIV-UHFFFAOYSA-N 0 0 194.230 1.685 10 0 ADAERN C[C@@H](O)c1nc2cc(F)c(F)cc2[nH]1 55306084 351577630 /nfs/dbraw/zinc/57/76/30/351577630.db2.gz XOEJKVPKBGDPTF-SCSAIBSYSA-N 0 0 198.172 1.894 10 0 ADAERN CC[C@@H](C)NC(=O)c1csc(N)n1 55176924 351577647 /nfs/dbraw/zinc/57/76/47/351577647.db2.gz VDTLAMQFWIXKJU-RXMQYKEDSA-N 0 0 199.279 1.254 10 0 ADAERN OCc1c(O)ccc2ncccc12 57346928 351578504 /nfs/dbraw/zinc/57/85/04/351578504.db2.gz QRCZGQVFEXQYBM-UHFFFAOYSA-N 0 0 175.187 1.433 10 0 ADAERN OCCN1Cc2ccc(Cl)cc2C1 58012166 351580097 /nfs/dbraw/zinc/58/00/97/351580097.db2.gz DHKWDTCACXTMKS-UHFFFAOYSA-N 0 0 197.665 1.648 10 0 ADAERN CCSCc1ncc(N)cn1 58040355 351580274 /nfs/dbraw/zinc/58/02/74/351580274.db2.gz ICFHYKIWNAEFCV-UHFFFAOYSA-N 0 0 169.253 1.312 10 0 ADAERN O[C@H]1CC[C@@H](c2cccnc2)C1 58517952 351580861 /nfs/dbraw/zinc/58/08/61/351580861.db2.gz QPBQALHZRHAFNC-SCZZXKLOSA-N 0 0 163.220 1.710 10 0 ADAERN O=Cc1cnc(-c2ccncc2)o1 58518602 351580841 /nfs/dbraw/zinc/58/08/41/351580841.db2.gz YUOGDVAXXPWVCQ-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN Oc1cnc(-c2ccc(F)cc2)nc1 59025430 351580865 /nfs/dbraw/zinc/58/08/65/351580865.db2.gz BVDGZALSDBAOJT-UHFFFAOYSA-N 0 0 190.177 1.988 10 0 ADAERN CCOc1ccnc(NC2CC2)n1 58825533 351580890 /nfs/dbraw/zinc/58/08/90/351580890.db2.gz NCJYLBGOAYFOGJ-UHFFFAOYSA-N 0 0 179.223 1.450 10 0 ADAERN C[C@@H]1Cc2cc(N)ccc2NC1=O 58518936 351580914 /nfs/dbraw/zinc/58/09/14/351580914.db2.gz CJSTYDXHHITHAM-ZCFIWIBFSA-N 0 0 176.219 1.400 10 0 ADAERN C[C@@H](O)c1ccc(N)c(F)c1 58819702 351580927 /nfs/dbraw/zinc/58/09/27/351580927.db2.gz IUFOQUOOYWWNAR-RXMQYKEDSA-N 0 0 155.172 1.461 10 0 ADAERN CCOc1cc(C)nc(NC2CC2)n1 58825821 351581016 /nfs/dbraw/zinc/58/10/16/351581016.db2.gz RWDXCBAEFCIFQM-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN O[C@@H]1CC[C@@H](c2cccnc2)C1 58517957 351581078 /nfs/dbraw/zinc/58/10/78/351581078.db2.gz QPBQALHZRHAFNC-PSASIEDQSA-N 0 0 163.220 1.710 10 0 ADAERN O=Cc1cnc(-c2ccccn2)o1 58518596 351581264 /nfs/dbraw/zinc/58/12/64/351581264.db2.gz DUCGTYOUHKCKMW-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN c1ccc2c(c1)nc1cccnn12 59129896 351581351 /nfs/dbraw/zinc/58/13/51/351581351.db2.gz TZQFROMCMLYBPC-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN O[C@@H]1CC[C@H](c2ccco2)C1 58517609 351581382 /nfs/dbraw/zinc/58/13/82/351581382.db2.gz HYNPJYBJWKTELD-JGVFFNPUSA-N 0 0 152.193 1.908 10 0 ADAERN O[C@H]1CC[C@@H](c2ccco2)C1 58517601 351581414 /nfs/dbraw/zinc/58/14/14/351581414.db2.gz HYNPJYBJWKTELD-SFYZADRCSA-N 0 0 152.193 1.908 10 0 ADAERN C[C@@H]1Cc2c(F)cccc2C(=O)N1 58519256 351581493 /nfs/dbraw/zinc/58/14/93/351581493.db2.gz CWPKIKHELPKFJS-ZCFIWIBFSA-N 0 0 179.194 1.500 10 0 ADAERN O[C@@H]1C[C@H]2CNc3ccccc3N2C1 59199334 351581508 /nfs/dbraw/zinc/58/15/08/351581508.db2.gz ZECIZWFKUHNOHM-DTWKUNHWSA-N 0 0 190.246 1.052 10 0 ADAERN O[C@@H]1CC[C@@H](c2ccco2)C1 58517608 351581525 /nfs/dbraw/zinc/58/15/25/351581525.db2.gz HYNPJYBJWKTELD-HTQZYQBOSA-N 0 0 152.193 1.908 10 0 ADAERN c1n[nH]cc1C[NH2+][C@@H]1CCCSC1 61588779 351582923 /nfs/dbraw/zinc/58/29/23/351582923.db2.gz SVITXBOTSIXBQH-SECBINFHSA-N 0 0 197.307 1.395 10 0 ADAERN c1n[nH]cc1N[C@@H]1CCCSC1 61573071 351582276 /nfs/dbraw/zinc/58/22/76/351582276.db2.gz BSBAMDDMTNLMKS-SSDOTTSWSA-N 0 0 183.280 1.717 10 0 ADAERN OCCNc1cc(F)cc(F)c1F 61095381 351582163 /nfs/dbraw/zinc/58/21/63/351582163.db2.gz QDOIEIDZPLXXAJ-UHFFFAOYSA-N 0 0 191.152 1.508 10 0 ADAERN c1n[nH]cc1C[NH2+][C@H]1CCCSC1 61588780 351582653 /nfs/dbraw/zinc/58/26/53/351582653.db2.gz SVITXBOTSIXBQH-VIFPVBQESA-N 0 0 197.307 1.395 10 0 ADAERN c1n[nH]cc1N[C@H]1CCCSC1 61573074 351582863 /nfs/dbraw/zinc/58/28/63/351582863.db2.gz BSBAMDDMTNLMKS-ZETCQYMHSA-N 0 0 183.280 1.717 10 0 ADAERN CC[C@@H](C)Nc1nccn(CC)c1=O 61761989 351583626 /nfs/dbraw/zinc/58/36/26/351583626.db2.gz YHKZEWVLYOVCJS-MRVPVSSYSA-N 0 0 195.266 1.474 10 0 ADAERN CC[C@@H](C)CNc1nccn(C)c1=O 61752291 351583973 /nfs/dbraw/zinc/58/39/73/351583973.db2.gz GYPFKURWEPPHMT-MRVPVSSYSA-N 0 0 195.266 1.238 10 0 ADAERN OCc1cnc(CN2CCCC2)s1 62201680 351586218 /nfs/dbraw/zinc/58/62/18/351586218.db2.gz NZWBNWHREXFJJJ-UHFFFAOYSA-N 0 0 198.291 1.231 10 0 ADAERN OCc1cnc(-c2ccncc2)s1 62201186 351586396 /nfs/dbraw/zinc/58/63/96/351586396.db2.gz MSXGVAXYUUUBKI-UHFFFAOYSA-N 0 0 192.243 1.697 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncnc(Cl)c1N 62364440 351587346 /nfs/dbraw/zinc/58/73/46/351587346.db2.gz CLFDZRJKUDQQAM-UHNVWZDZSA-N 0 0 198.657 1.533 10 0 ADAERN CC[C@@H](C)n1ncc2c(N)ncnc21 62367240 351587470 /nfs/dbraw/zinc/58/74/70/351587470.db2.gz LFUUCJLUWGGIKX-ZCFIWIBFSA-N 0 0 191.238 1.380 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncnc(Cl)c1N 62364451 351587795 /nfs/dbraw/zinc/58/77/95/351587795.db2.gz CLFDZRJKUDQQAM-RFZPGFLSSA-N 0 0 198.657 1.533 10 0 ADAERN CCSc1ncnc(Cl)c1N 62365358 351587825 /nfs/dbraw/zinc/58/78/25/351587825.db2.gz PJSZHOWPEQFVCW-UHFFFAOYSA-N 0 0 189.671 1.824 10 0 ADAERN CC[C@@H](C)c1cc(NC)n[nH]1 62667676 351588528 /nfs/dbraw/zinc/58/85/28/351588528.db2.gz XYVNHYZGWYZWEP-ZCFIWIBFSA-N 0 0 153.229 1.965 10 0 ADAERN O=Cc1nc(-c2cccc(F)c2)no1 62710072 351588956 /nfs/dbraw/zinc/58/89/56/351588956.db2.gz BMSRUUDSPGPAAF-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN CC(C)C(=O)Nc1ccncc1N 62725655 351589505 /nfs/dbraw/zinc/58/95/05/351589505.db2.gz LDCVWVFQOHQRQV-UHFFFAOYSA-N 0 0 179.223 1.258 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccncc1N 62725690 351589560 /nfs/dbraw/zinc/58/95/60/351589560.db2.gz OJZSXBHCRRUBHV-RQJHMYQMSA-N 0 0 191.234 1.258 10 0 ADAERN CCS(=O)(=O)c1cccc(N)c1C 62723646 351589629 /nfs/dbraw/zinc/58/96/29/351589629.db2.gz OHJYSRCYHFWRHL-UHFFFAOYSA-N 0 0 199.275 1.371 10 0 ADAERN CCOc1ncccc1NC 62796804 351589691 /nfs/dbraw/zinc/58/96/91/351589691.db2.gz WRDSCKDHAVDZCD-UHFFFAOYSA-N 0 0 152.197 1.522 10 0 ADAERN CCOc1ccc(NC)cc1CO 62796551 351589791 /nfs/dbraw/zinc/58/97/91/351589791.db2.gz SDGRWLXLTRXERI-UHFFFAOYSA-N 0 0 181.235 1.619 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)Nc1ccncc1N 62725692 351589958 /nfs/dbraw/zinc/58/99/58/351589958.db2.gz OJZSXBHCRRUBHV-RNFRBKRXSA-N 0 0 191.234 1.258 10 0 ADAERN O=Cc1ccc(-c2cccc(=O)[nH]2)cc1 65337697 351591470 /nfs/dbraw/zinc/59/14/70/351591470.db2.gz WIPSXGAPNCHQLQ-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O=c1[nH]cccc1-c1ccc(O)cc1 65337638 351591499 /nfs/dbraw/zinc/59/14/99/351591499.db2.gz DXCUBBHPVYLQBX-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=c1[nH]cccc1-c1cccc(O)c1 65337633 351591511 /nfs/dbraw/zinc/59/15/11/351591511.db2.gz PRZCGCRTNSGNEM-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=c1[nH]cccc1-c1ccccc1O 65337626 351591737 /nfs/dbraw/zinc/59/17/37/351591737.db2.gz SXTGSUUSUUSWEZ-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=c1cc[nH]c(-c2cccc(O)c2)c1 65355597 351591798 /nfs/dbraw/zinc/59/17/98/351591798.db2.gz UXGSLNBDUVCTES-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN c1cn(Cc2nc(C3CC3)no2)cn1 64542872 351591859 /nfs/dbraw/zinc/59/18/59/351591859.db2.gz CZABQXAADKBWFK-UHFFFAOYSA-N 0 0 190.206 1.192 10 0 ADAERN O=c1cc[nH]c(-c2ccccc2O)c1 65355593 351591881 /nfs/dbraw/zinc/59/18/81/351591881.db2.gz IIJHKCCCUFWOQE-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=Cc1cccc(-c2ccc(=O)[nH]c2)c1 65337687 351592094 /nfs/dbraw/zinc/59/20/94/351592094.db2.gz OZPNQINZHJCEAY-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O=c1cccc(-c2cccc(O)c2)[nH]1 65337637 351592248 /nfs/dbraw/zinc/59/22/48/351592248.db2.gz LLQRUCCTKRUDRV-UHFFFAOYSA-N 0 0 187.198 1.748 10 0 ADAERN O=Cc1ccc(-c2ccc[nH]c2=O)cc1 65337692 351592260 /nfs/dbraw/zinc/59/22/60/351592260.db2.gz ASMSIVGFBPHHRA-UHFFFAOYSA-N 0 0 199.209 1.854 10 0 ADAERN O[C@H]1C=C[C@H]2OC3(CCCCC3)O[C@@H]12 65748972 351593233 /nfs/dbraw/zinc/59/32/33/351593233.db2.gz FYJRUPQDMJWTJJ-AEJSXWLSSA-N 0 0 196.246 1.362 10 0 in-vitro ADAERN Oc1coccc1=S 66105184 351593436 /nfs/dbraw/zinc/59/34/36/351593436.db2.gz PVQRWPNLEMQCSX-UHFFFAOYSA-N 0 0 128.152 1.715 10 0 ADAERN Oc1ccc(OC2CCOCC2)cc1 68955640 351596296 /nfs/dbraw/zinc/59/62/96/351596296.db2.gz WKCCLICDROPTGX-UHFFFAOYSA-N 0 0 194.230 1.950 10 0 ADAERN CSCCN1CCC(=O)[C@H](C)C1 69011945 351597268 /nfs/dbraw/zinc/59/72/68/351597268.db2.gz VTJJAVXQQWKRBS-MRVPVSSYSA-N 0 0 187.308 1.260 10 0 ADAERN CSCCN1CCC(=O)[C@@H](C)C1 69011947 351597582 /nfs/dbraw/zinc/59/75/82/351597582.db2.gz VTJJAVXQQWKRBS-QMMMGPOBSA-N 0 0 187.308 1.260 10 0 ADAERN CNC(=O)C1CCCCCC1 69606152 351597728 /nfs/dbraw/zinc/59/77/28/351597728.db2.gz CUELCBJAWFFONW-UHFFFAOYSA-N 0 0 155.241 1.703 10 0 ADAERN CCNC(=O)c1ccc2n[nH]cc2c1 69606155 351597746 /nfs/dbraw/zinc/59/77/46/351597746.db2.gz CKWPSBPURGRPMA-UHFFFAOYSA-N 0 0 189.218 1.313 10 0 ADAERN O[C@@H]1CCO[C@H](c2ccccn2)C1 69850603 351599765 /nfs/dbraw/zinc/59/97/65/351599765.db2.gz OEMDWMCVQOSFLI-SCZZXKLOSA-N 0 0 179.219 1.294 10 0 ADAERN O[C@@H]1CCO[C@H](c2ccco2)C1 69850533 351599821 /nfs/dbraw/zinc/59/98/21/351599821.db2.gz MCGXLZFBSLVNAQ-APPZFPTMSA-N 0 0 168.192 1.492 10 0 ADAERN c1nnc(NC2CCCC2)s1 69965642 351600975 /nfs/dbraw/zinc/60/09/75/351600975.db2.gz IFLFUTKLKYWDFK-UHFFFAOYSA-N 0 0 169.253 1.893 10 0 ADAERN OCCOc1ccc(F)c(Cl)c1 70168502 351601493 /nfs/dbraw/zinc/60/14/93/351601493.db2.gz BODFWGBGRDPIAL-UHFFFAOYSA-N 0 0 190.601 1.850 10 0 ADAERN CC(C)C(=O)NCc1cscn1 70233081 351602730 /nfs/dbraw/zinc/60/27/30/351602730.db2.gz YBCJYCQOYBYLMO-UHFFFAOYSA-N 0 0 184.264 1.415 10 0 ADAERN CC(C)C(=O)Nc1cnoc1 70233231 351602764 /nfs/dbraw/zinc/60/27/64/351602764.db2.gz UFRIGMLFMHLNHD-UHFFFAOYSA-N 0 0 154.169 1.269 10 0 ADAERN C[C@@H]1CCC[C@H](NS(C)(=O)=O)C1 70226329 351602885 /nfs/dbraw/zinc/60/28/85/351602885.db2.gz HMVDNCQEMFVQIT-SFYZADRCSA-N 0 0 191.296 1.114 10 0 ADAERN Cn1ccnc1Cn1cc[nH]c1=S 70853917 351608196 /nfs/dbraw/zinc/60/81/96/351608196.db2.gz NMURNCPDHGEBOW-UHFFFAOYSA-N 0 0 194.263 1.327 10 0 ADAERN C[C@H](Cc1cccs1)NC#N 70851166 351608515 /nfs/dbraw/zinc/60/85/15/351608515.db2.gz KSGLIAGGXRJZSV-SSDOTTSWSA-N 0 0 166.249 1.750 10 0 ADAERN C[C@@H](Cc1cccs1)NC#N 70851162 351608519 /nfs/dbraw/zinc/60/85/19/351608519.db2.gz KSGLIAGGXRJZSV-ZETCQYMHSA-N 0 0 166.249 1.750 10 0 ADAERN Cc1noc([C@H](C(C)C)[C@H](C)O)n1 70998088 351609421 /nfs/dbraw/zinc/60/94/21/351609421.db2.gz JOSGVOGOEDWMOP-POYBYMJQSA-N 0 0 184.239 1.498 10 0 ADAERN O[C@@H]1COc2ccc(F)cc21 71250695 351609544 /nfs/dbraw/zinc/60/95/44/351609544.db2.gz YQBZKBUZKDPWJW-SSDOTTSWSA-N 0 0 154.140 1.252 10 0 ADAERN O[C@H]1COc2ccc(F)cc21 71250701 351609825 /nfs/dbraw/zinc/60/98/25/351609825.db2.gz YQBZKBUZKDPWJW-ZETCQYMHSA-N 0 0 154.140 1.252 10 0 ADAERN C[C@@H](O)c1nc2c(s1)CN(C)CC2 71026474 351609855 /nfs/dbraw/zinc/60/98/55/351609855.db2.gz VYUBZBSGBYFPQT-ZCFIWIBFSA-N 0 0 198.291 1.184 10 0 ADAERN Cc1noc([C@@H](C(C)C)[C@@H](C)O)n1 70998082 351609876 /nfs/dbraw/zinc/60/98/76/351609876.db2.gz JOSGVOGOEDWMOP-SVRRBLITSA-N 0 0 184.239 1.498 10 0 ADAERN Cc1noc([C@@H](C(C)C)[C@H](C)O)n1 70998087 351609974 /nfs/dbraw/zinc/60/99/74/351609974.db2.gz JOSGVOGOEDWMOP-XPUUQOCRSA-N 0 0 184.239 1.498 10 0 ADAERN Cc1noc([C@H](C(C)C)[C@@H](C)O)n1 70998084 351609989 /nfs/dbraw/zinc/60/99/89/351609989.db2.gz JOSGVOGOEDWMOP-HTRCEHHLSA-N 0 0 184.239 1.498 10 0 ADAERN CCOc1c(C)cc(C)cc1C(N)=O 71463626 351610403 /nfs/dbraw/zinc/61/04/03/351610403.db2.gz SYOUSDSNYFOHMC-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN OCC[C@@H]1CNc2ccccc21 71486814 351610830 /nfs/dbraw/zinc/61/08/30/351610830.db2.gz WHKAAHMYIZWSAJ-MRVPVSSYSA-N 0 0 163.220 1.578 10 0 ADAERN CCOc1c(C)ccc(C)c1C(N)=O 71457342 351610910 /nfs/dbraw/zinc/61/09/10/351610910.db2.gz QSXKPMPRJPEJIE-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN OCC[C@H]1CNc2ccccc21 71486815 351610984 /nfs/dbraw/zinc/61/09/84/351610984.db2.gz WHKAAHMYIZWSAJ-QMMMGPOBSA-N 0 0 163.220 1.578 10 0 ADAERN OCc1cnc2cccc(Cl)n12 74375429 351620825 /nfs/dbraw/zinc/62/08/25/351620825.db2.gz JDGHDVPAHYPBCD-UHFFFAOYSA-N 0 0 182.610 1.480 10 0 ADAERN OCC[C@@H](O)c1cccs1 71495614 351611513 /nfs/dbraw/zinc/61/15/13/351611513.db2.gz ONNSVHDTFXVFKP-ZCFIWIBFSA-N 0 0 158.222 1.164 10 0 ADAERN CC(C)C[C@H](N)C(=O)c1ccco1 71498780 351611645 /nfs/dbraw/zinc/61/16/45/351611645.db2.gz XDQJHUUOXHKLCP-QMMMGPOBSA-N 0 0 181.235 1.836 10 0 ADAERN C[C@@H]1COC[C@@H](c2ccco2)N1 71496148 351611746 /nfs/dbraw/zinc/61/17/46/351611746.db2.gz WEPWAWKFJWHWMX-SFYZADRCSA-N 0 0 167.208 1.329 10 0 ADAERN OCC[C@H](O)c1cccs1 71495615 351611793 /nfs/dbraw/zinc/61/17/93/351611793.db2.gz ONNSVHDTFXVFKP-LURJTMIESA-N 0 0 158.222 1.164 10 0 ADAERN C[C@@H]1COC[C@H](c2ccco2)N1 71496144 351611996 /nfs/dbraw/zinc/61/19/96/351611996.db2.gz WEPWAWKFJWHWMX-HTQZYQBOSA-N 0 0 167.208 1.329 10 0 ADAERN CCOc1ccc([C@H](O)CO)cc1 71499048 351612072 /nfs/dbraw/zinc/61/20/72/351612072.db2.gz OWMDXYZBTXRWKG-SNVBAGLBSA-N 0 0 182.219 1.111 10 0 ADAERN CC(C)C(=O)c1ccn(C)c1 71495414 351612115 /nfs/dbraw/zinc/61/21/15/351612115.db2.gz OOWAPSDEEODAIB-UHFFFAOYSA-N 0 0 151.209 1.864 10 0 ADAERN CCOc1ccc([C@@H](O)CO)cc1 71499050 351612123 /nfs/dbraw/zinc/61/21/23/351612123.db2.gz OWMDXYZBTXRWKG-JTQLQIEISA-N 0 0 182.219 1.111 10 0 ADAERN O=Cc1cc(Cl)nc(Cl)n1 71624797 351612795 /nfs/dbraw/zinc/61/27/95/351612795.db2.gz IZJDEVPDYGNMDR-UHFFFAOYSA-N 0 0 176.990 1.596 10 0 in-vitro ADAERN O[C@@H]1CC2(COC2)Oc2ccccc21 71766868 351613053 /nfs/dbraw/zinc/61/30/53/351613053.db2.gz JLURKHCRYKLNED-SECBINFHSA-N 0 0 192.214 1.272 10 0 ADAERN Oc1cnc(-c2ccsc2)nc1 72192061 351614521 /nfs/dbraw/zinc/61/45/21/351614521.db2.gz QVTWXLUBYGGLSG-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN Oc1cnc(-c2cccnc2)nc1 72192057 351614565 /nfs/dbraw/zinc/61/45/65/351614565.db2.gz BPYOSAOPEIXLOV-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN CCOCc1ccc(Cl)nn1 72194552 351614659 /nfs/dbraw/zinc/61/46/59/351614659.db2.gz NDYCEDILVIMFJY-UHFFFAOYSA-N 0 0 172.615 1.667 10 0 ADAERN O=c1ccc(-c2ccc(=O)[nH]c2)c[nH]1 72194610 351614705 /nfs/dbraw/zinc/61/47/05/351614705.db2.gz NPOJSRFZNPCHGN-UHFFFAOYSA-N 0 0 188.186 1.555 10 0 ADAERN Oc1cnc(-c2ccco2)nc1 72192060 351614774 /nfs/dbraw/zinc/61/47/74/351614774.db2.gz POCWFZBPGXHYRJ-UHFFFAOYSA-N 0 0 162.148 1.442 10 0 ADAERN C[C@@H]1CCCN(c2csc(N)n2)C1 72192586 351614784 /nfs/dbraw/zinc/61/47/84/351614784.db2.gz VJCXJWPMADPDMV-SSDOTTSWSA-N 0 0 197.307 1.962 10 0 ADAERN C[C@@H]1CCCN(c2cnc(N)s2)C1 72192600 351614801 /nfs/dbraw/zinc/61/48/01/351614801.db2.gz NNIMOKACLMGKTO-SSDOTTSWSA-N 0 0 197.307 1.962 10 0 ADAERN C[C@@H]1CCCN(c2ncc(N)s2)C1 72192566 351614842 /nfs/dbraw/zinc/61/48/42/351614842.db2.gz ZKSVGXDWUQLYKM-SSDOTTSWSA-N 0 0 197.307 1.962 10 0 ADAERN Oc1cncc(-c2cncnc2)c1 72192778 351614904 /nfs/dbraw/zinc/61/49/04/351614904.db2.gz JHWULHNMSXZWHZ-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Oc1cnc(-c2cccs2)nc1 72192059 351614960 /nfs/dbraw/zinc/61/49/60/351614960.db2.gz PQRBKNYSYXJHBE-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN Oc1cnc(-c2ccoc2)nc1 72192062 351615027 /nfs/dbraw/zinc/61/50/27/351615027.db2.gz FTPALMZIMUUCSU-UHFFFAOYSA-N 0 0 162.148 1.442 10 0 ADAERN Oc1cnc(-c2ccncc2)nc1 72192058 351615128 /nfs/dbraw/zinc/61/51/28/351615128.db2.gz IMBOOAUURIMYFN-UHFFFAOYSA-N 0 0 173.175 1.244 10 0 ADAERN Oc1cncc(OC2CCC2)c1 72192782 351615132 /nfs/dbraw/zinc/61/51/32/351615132.db2.gz BPAXHOAITGETLF-UHFFFAOYSA-N 0 0 165.192 1.719 10 0 ADAERN Oc1cncc(-c2ccccn2)c1 72192770 351615177 /nfs/dbraw/zinc/61/51/77/351615177.db2.gz XRNCCHNPKZSPST-UHFFFAOYSA-N 0 0 172.187 1.849 10 0 ADAERN CCOCc1ccnc(Cl)n1 72194572 351615199 /nfs/dbraw/zinc/61/51/99/351615199.db2.gz NUFWAYVRSUJDDG-UHFFFAOYSA-N 0 0 172.615 1.667 10 0 ADAERN O=c1[nH]cc(Br)s1 72192344 351615214 /nfs/dbraw/zinc/61/52/14/351615214.db2.gz PSGUWWPEYMFXOA-UHFFFAOYSA-N 0 0 180.026 1.199 10 0 ADAERN c1cc2ncoc2cn1 72230772 351617644 /nfs/dbraw/zinc/61/76/44/351617644.db2.gz XRVDKIQEFCJTBZ-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN c1cc2c(cn1)N=NC2 72230839 351617818 /nfs/dbraw/zinc/61/78/18/351617818.db2.gz PMVAUCMTOAAAKB-UHFFFAOYSA-N 0 0 119.127 1.679 10 0 ADAERN CCOc1ccc2c(=O)cc[nH]c2c1 72237190 351617981 /nfs/dbraw/zinc/61/79/81/351617981.db2.gz HEUAYWIJLSIHTE-UHFFFAOYSA-N 0 0 189.214 1.927 10 0 ADAERN C[C@@H]1CCc2[nH][nH]c(=O)c21 72266754 351618234 /nfs/dbraw/zinc/61/82/34/351618234.db2.gz MPTFLCLKEBBFEQ-SCSAIBSYSA-N 0 0 138.170 1.165 10 0 ADAERN C[C@@H]1CC(=O)c2c[nH]cc2C1 72416535 351619992 /nfs/dbraw/zinc/61/99/92/351619992.db2.gz YHCIENLNNNYAHT-LURJTMIESA-N 0 0 149.193 1.780 10 0 ADAERN c1ccc([C@@H]2NN=C3CCCN32)cc1 72416247 351619449 /nfs/dbraw/zinc/61/94/49/351619449.db2.gz HPQUHSLYHCUJOF-LLVKDONJSA-N 0 0 187.246 1.698 10 0 ADAERN O=Cc1ccc2c(c1)CCN2C=O 72417509 351619530 /nfs/dbraw/zinc/61/95/30/351619530.db2.gz GAPWWXZTCOWBMT-UHFFFAOYSA-N 0 0 175.187 1.018 10 0 ADAERN c1ccc([C@H]2NN=C3CCCN32)cc1 72416248 351619580 /nfs/dbraw/zinc/61/95/80/351619580.db2.gz HPQUHSLYHCUJOF-NSHDSACASA-N 0 0 187.246 1.698 10 0 ADAERN C[C@@H]1CC(=O)c2cnc(=S)[nH]c2C1 72415114 351619628 /nfs/dbraw/zinc/61/96/28/351619628.db2.gz NFPGFEBOIVQDRL-YFKPBYRVSA-N 0 0 194.259 1.530 10 0 ADAERN c1ccc(-c2n[nH]c3ncnn23)cc1 72416758 351619641 /nfs/dbraw/zinc/61/96/41/351619641.db2.gz JTUVNHPPSKZEMZ-UHFFFAOYSA-N 0 0 185.190 1.119 10 0 ADAERN CC(C)C[C@H](NC1=[NH+]CCC1)C(=O)[O-] 72417349 351619908 /nfs/dbraw/zinc/61/99/08/351619908.db2.gz GTBBRMRXPDMHFQ-QMMMGPOBSA-N 0 0 198.266 1.268 10 0 ADAERN C[C@@H]1Cc2cc(CO)ccc2N1C 72417503 351619932 /nfs/dbraw/zinc/61/99/32/351619932.db2.gz OQYIYPDBDHINLF-MRVPVSSYSA-N 0 0 177.247 1.560 10 0 ADAERN CC(C)C[C@@H](NC1=[NH+]CCC1)C(=O)[O-] 72417350 351619974 /nfs/dbraw/zinc/61/99/74/351619974.db2.gz GTBBRMRXPDMHFQ-MRVPVSSYSA-N 0 0 198.266 1.268 10 0 ADAERN O=c1[nH]c2ccccc2c2oncc12 72416410 351620098 /nfs/dbraw/zinc/62/00/98/351620098.db2.gz DGNHADPLLAKABS-UHFFFAOYSA-N 0 0 186.170 1.669 10 0 ADAERN O=Cc1nc2cccc(F)c2o1 74339950 351620707 /nfs/dbraw/zinc/62/07/07/351620707.db2.gz RSGWUDYSMJNWTN-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN CCOc1ccc2[nH]nc(C=O)c2c1 74275005 351621307 /nfs/dbraw/zinc/62/13/07/351621307.db2.gz PIKAIMCTPGZKMD-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN O=C(c1cc[nH]c1)N1CCCCC1 74701668 351621800 /nfs/dbraw/zinc/62/18/00/351621800.db2.gz HDNPNCPGKQLTAS-UHFFFAOYSA-N 0 0 178.235 1.641 10 0 ADAERN O=C(c1c[nH]cn1)N1CCCCC1 74673780 351622172 /nfs/dbraw/zinc/62/21/72/351622172.db2.gz DTFXUJRCOZIGQP-UHFFFAOYSA-N 0 0 179.223 1.036 10 0 ADAERN Cc1ncoc1C(=O)N1CCCCC1 74686179 351622209 /nfs/dbraw/zinc/62/22/09/351622209.db2.gz CTKMVZUSNXBVIS-UHFFFAOYSA-N 0 0 194.234 1.609 10 0 ADAERN CCOc1ccc(NC(C)=O)cn1 75280119 351623995 /nfs/dbraw/zinc/62/39/95/351623995.db2.gz VWFISMDDBDSSST-UHFFFAOYSA-N 0 0 180.207 1.439 10 0 ADAERN CCOc1cc(N)ncc1Cl 75251673 351624250 /nfs/dbraw/zinc/62/42/50/351624250.db2.gz AIVVVUPHIZFKNS-UHFFFAOYSA-N 0 0 172.615 1.716 10 0 ADAERN CCOc1cnccc1NC(C)=O 75260431 351624267 /nfs/dbraw/zinc/62/42/67/351624267.db2.gz JYMBZGRNDXTZOZ-UHFFFAOYSA-N 0 0 180.207 1.439 10 0 ADAERN C[C@@H](O)c1nccn1C1CC1 75852884 351625245 /nfs/dbraw/zinc/62/52/45/351625245.db2.gz BWZAUCWDFXJSPP-ZCFIWIBFSA-N 0 0 152.197 1.271 10 0 ADAERN O=Cc1ccc2c(c1)NC(=O)CC2 76600682 351625362 /nfs/dbraw/zinc/62/53/62/351625362.db2.gz JYLQHODYNBTGNN-UHFFFAOYSA-N 0 0 175.187 1.384 10 0 ADAERN O=Cc1coc(C2CC2)n1 76573454 351625463 /nfs/dbraw/zinc/62/54/63/351625463.db2.gz DAJDOAIXTQATHZ-UHFFFAOYSA-N 0 0 137.138 1.365 10 0 ADAERN OCCOc1cccc2cc[nH]c12 78035726 351626653 /nfs/dbraw/zinc/62/66/53/351626653.db2.gz DKGRZNGCXBFXGT-UHFFFAOYSA-N 0 0 177.203 1.539 10 0 ADAERN CCC1(C(N)=O)CCCC1 78168189 351626687 /nfs/dbraw/zinc/62/66/87/351626687.db2.gz GQUAFJZXAGFQLR-UHFFFAOYSA-N 0 0 141.214 1.442 10 0 ADAERN Cc1cc(=O)c2n[nH]c(C)c2[nH]1 78591672 351627209 /nfs/dbraw/zinc/62/72/09/351627209.db2.gz JBASAFSQNBAMBM-UHFFFAOYSA-N 0 0 163.180 1.280 10 0 ADAERN C[C@@H]1Cc2cc(N)ccc2N1 78724278 351628475 /nfs/dbraw/zinc/62/84/75/351628475.db2.gz ZZIZDBJWSSJASG-ZCFIWIBFSA-N 0 0 148.209 1.625 10 0 ADAERN OCc1ccc2sc(=S)nc-2[nH]1 79275067 351629409 /nfs/dbraw/zinc/62/94/09/351629409.db2.gz UGDPPDNPUQCSSH-UHFFFAOYSA-N 0 0 198.272 1.472 10 0 ADAERN CCOc1nc(C)cs1 80052717 351631021 /nfs/dbraw/zinc/63/10/21/351631021.db2.gz ALXOJWFQHISSAW-UHFFFAOYSA-N 0 0 143.211 1.850 10 0 ADAERN CC(C)C(=O)N[C@@H]1CC=CCC1 80110353 351631165 /nfs/dbraw/zinc/63/11/65/351631165.db2.gz GNYURLBYLKBCBN-SECBINFHSA-N 0 0 167.252 1.867 10 0 ADAERN CC[C@H](NC(C)=O)c1nccs1 81559201 351632011 /nfs/dbraw/zinc/63/20/11/351632011.db2.gz ICXDAXAVTWVPKH-ZETCQYMHSA-N 0 0 184.264 1.730 10 0 ADAERN CCCC(=N)Nc1cc[nH]n1 81113090 351632018 /nfs/dbraw/zinc/63/20/18/351632018.db2.gz FDENRRMCMWBDDX-UHFFFAOYSA-N 0 0 152.201 1.599 10 0 ADAERN CC[C@@H](NC(C)=O)c1nccs1 81559206 351632099 /nfs/dbraw/zinc/63/20/99/351632099.db2.gz ICXDAXAVTWVPKH-SSDOTTSWSA-N 0 0 184.264 1.730 10 0 ADAERN CO[C@@H](C)CCC(C)=O 80775658 351632166 /nfs/dbraw/zinc/63/21/66/351632166.db2.gz VSAGSNXAQBVOAJ-ZETCQYMHSA-N 0 0 130.187 1.391 10 0 ADAERN CCC(=O)N[C@@H]1CCC[C@H]1OC 81559474 351632571 /nfs/dbraw/zinc/63/25/71/351632571.db2.gz CVRKRJSTIIMFBF-HTQZYQBOSA-N 0 0 171.240 1.080 10 0 ADAERN O=Cc1cc2ccccn2c1 81137648 351632581 /nfs/dbraw/zinc/63/25/81/351632581.db2.gz GZAJGIDURHUVHB-UHFFFAOYSA-N 0 0 145.161 1.752 10 0 ADAERN COCC(=O)N1CC[C@@H](C)C[C@H]1C 81565730 351633132 /nfs/dbraw/zinc/63/31/32/351633132.db2.gz FEFIPVYMOREJET-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN COCC(=O)NC1CCC(C)(C)CC1 81566463 351633338 /nfs/dbraw/zinc/63/33/38/351633338.db2.gz OQOVUXDZBRHXSS-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CC1(CC(N)=O)CCCC1 82125047 351633987 /nfs/dbraw/zinc/63/39/87/351633987.db2.gz JTUWRWHZYZMOJF-UHFFFAOYSA-N 0 0 141.214 1.442 10 0 ADAERN C[C@@H](O)c1ccc(O)c(N)c1 82019528 351634196 /nfs/dbraw/zinc/63/41/96/351634196.db2.gz MTYZTRGWEZOWIS-RXMQYKEDSA-N 0 0 153.181 1.028 10 0 ADAERN C[C@@H]1CC[C@H](C(C)(C)O)CC1=O 82200822 351635264 /nfs/dbraw/zinc/63/52/64/351635264.db2.gz WZUYMVXZZRCRMY-SFYZADRCSA-N 0 0 170.252 1.763 10 0 ADAERN O[C@@H]1C[C@@H]2CNc3ccccc3N2C1 82390364 351635616 /nfs/dbraw/zinc/63/56/16/351635616.db2.gz ZECIZWFKUHNOHM-RKDXNWHRSA-N 0 0 190.246 1.052 10 0 ADAERN O=c1cc2n(c3ccccc13)CCC2 82392790 351635679 /nfs/dbraw/zinc/63/56/79/351635679.db2.gz XEDQWLUYAYOJEZ-UHFFFAOYSA-N 0 0 185.226 1.948 10 0 ADAERN CC(C)CCNC(=O)c1cccnn1 82317715 351635740 /nfs/dbraw/zinc/63/57/40/351635740.db2.gz FPIZYJQNRLQVTN-UHFFFAOYSA-N 0 0 193.250 1.253 10 0 ADAERN O=C(c1cccnn1)N1CCCCC1 82301162 351635873 /nfs/dbraw/zinc/63/58/73/351635873.db2.gz OMODJFDQCWOSLF-UHFFFAOYSA-N 0 0 191.234 1.103 10 0 ADAERN CCOc1cccc2c(C=O)[nH]nc12 82390585 351635914 /nfs/dbraw/zinc/63/59/14/351635914.db2.gz CDAMHBRGGGVUED-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CCOc1n[nH]c2ccc(C=O)cc12 82390603 351635974 /nfs/dbraw/zinc/63/59/74/351635974.db2.gz SKIFBZKBFDSVDG-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CCCCN(C)C(=O)c1cccnn1 82317915 351635996 /nfs/dbraw/zinc/63/59/96/351635996.db2.gz SZXHXYXKVIMDAV-UHFFFAOYSA-N 0 0 193.250 1.349 10 0 ADAERN CC[C@@H](C)NC(=O)c1cccnn1 82300184 351636035 /nfs/dbraw/zinc/63/60/35/351636035.db2.gz BPGVTTOGNMJLQD-SSDOTTSWSA-N 0 0 179.223 1.005 10 0 ADAERN c1ccc(-c2nc3c([nH]2)CNC3)cc1 82392754 351636154 /nfs/dbraw/zinc/63/61/54/351636154.db2.gz WJBALOFTAMILCM-UHFFFAOYSA-N 0 0 185.230 1.680 10 0 ADAERN O=Cc1ncn2ccnc(Cl)c12 82395561 351636213 /nfs/dbraw/zinc/63/62/13/351636213.db2.gz CSMVSYIABPWFLO-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN O=Cc1ccc2ncc(Cl)n2c1 82396245 351636704 /nfs/dbraw/zinc/63/67/04/351636704.db2.gz FYSHNHVBUYITDN-UHFFFAOYSA-N 0 0 180.594 1.800 10 0 ADAERN O[C@@H]1CCO[C@@H]2CCCC[C@H]12 82406301 351636769 /nfs/dbraw/zinc/63/67/69/351636769.db2.gz VSFYAFAAVATPMP-IWSPIJDZSA-N 0 0 156.225 1.326 10 0 ADAERN O=Cc1cnc2scnc2c1 82404330 351636865 /nfs/dbraw/zinc/63/68/65/351636865.db2.gz ZQEDOHPOEKLDSP-UHFFFAOYSA-N 0 0 164.189 1.504 10 0 ADAERN O=Cc1cn2ccnc2cc1F 82404412 351636980 /nfs/dbraw/zinc/63/69/80/351636980.db2.gz YLSUXRMFCQHVSN-UHFFFAOYSA-N 0 0 164.139 1.286 10 0 ADAERN O=Cc1c(O)ccc2[nH]ccc12 82405198 351637058 /nfs/dbraw/zinc/63/70/58/351637058.db2.gz VLTJOXHHBNNAEB-UHFFFAOYSA-N 0 0 161.160 1.686 10 0 ADAERN c1cc2c3c(c1)ncn3CCN2 82405503 351637159 /nfs/dbraw/zinc/63/71/59/351637159.db2.gz SKZUZRHCHQQJJX-UHFFFAOYSA-N 0 0 159.192 1.462 10 0 ADAERN O=Cc1cc(F)cc2c[nH]nc12 82404414 351637128 /nfs/dbraw/zinc/63/71/28/351637128.db2.gz VVFDIWHRROSHJH-UHFFFAOYSA-N 0 0 164.139 1.515 10 0 ADAERN O=Cc1ccc2n[nH]cc2c1F 82404415 351637146 /nfs/dbraw/zinc/63/71/46/351637146.db2.gz VHSXJKARGVRERT-UHFFFAOYSA-N 0 0 164.139 1.515 10 0 ADAERN O=Cc1ccc2cc[nH]c2c1O 82405215 351637206 /nfs/dbraw/zinc/63/72/06/351637206.db2.gz FUTTXRPXEXENFW-UHFFFAOYSA-N 0 0 161.160 1.686 10 0 ADAERN O=Cc1ccc2[nH][nH]c(=O)c2c1 82404956 351637226 /nfs/dbraw/zinc/63/72/26/351637226.db2.gz OFBMLBRCDUOUHY-UHFFFAOYSA-N 0 0 162.148 1.081 10 0 ADAERN O[C@@H]1CCO[C@@H]2CCCC[C@@H]12 82406299 351637242 /nfs/dbraw/zinc/63/72/42/351637242.db2.gz VSFYAFAAVATPMP-DJLDLDEBSA-N 0 0 156.225 1.326 10 0 ADAERN O[C@@H]1CCO[C@H]2CCCC[C@H]21 82406300 351637244 /nfs/dbraw/zinc/63/72/44/351637244.db2.gz VSFYAFAAVATPMP-YIZRAAEISA-N 0 0 156.225 1.326 10 0 ADAERN OCCc1ccc2[nH]cnc2c1 82587576 351639105 /nfs/dbraw/zinc/63/91/05/351639105.db2.gz BJIGOPZZEFXJDI-UHFFFAOYSA-N 0 0 162.192 1.098 10 0 ADAERN CCOc1ccc(NC(N)=O)cc1F 82588986 351639403 /nfs/dbraw/zinc/63/94/03/351639403.db2.gz AGCITCUZEXZYSR-UHFFFAOYSA-N 0 0 198.197 1.715 10 0 ADAERN OCCNc1ccc2c(c1)CCCC2 82588496 351639483 /nfs/dbraw/zinc/63/94/83/351639483.db2.gz AQOGSIHYQKZBQK-UHFFFAOYSA-N 0 0 191.274 1.970 10 0 ADAERN O=Cc1ccccc1SCCO 82612708 351640574 /nfs/dbraw/zinc/64/05/74/351640574.db2.gz PEPITGGBNOELSK-UHFFFAOYSA-N 0 0 182.244 1.584 10 0 in-vitro ADAERN OCCNc1cccc2cccnc12 82710848 351641501 /nfs/dbraw/zinc/64/15/01/351641501.db2.gz JPELKJKHWXFHFM-UHFFFAOYSA-N 0 0 188.230 1.639 10 0 ADAERN CC(C)([NH3+])c1ncc2n1CCCC2 82871857 351642358 /nfs/dbraw/zinc/64/23/58/351642358.db2.gz BNKPJAAUINVUKW-UHFFFAOYSA-N 0 0 179.267 1.413 10 0 ADAERN CC(C)C[C@@H](C)N(C)C=O 83145002 351643192 /nfs/dbraw/zinc/64/31/92/351643192.db2.gz WQBCWKBCQVUGBW-MRVPVSSYSA-N 0 0 143.230 1.509 10 0 ADAERN CC(C)C[C@H](C)N(C)C=O 83145003 351643491 /nfs/dbraw/zinc/64/34/91/351643491.db2.gz WQBCWKBCQVUGBW-QMMMGPOBSA-N 0 0 143.230 1.509 10 0 ADAERN O[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 83255088 351644715 /nfs/dbraw/zinc/64/47/15/351644715.db2.gz JGZUJPCFJQYINE-CIUDSAMLSA-N 0 0 168.236 1.326 10 0 ADAERN O[C@H]1[C@H]2CCO[C@@H]2C12CCCC2 83255084 351644834 /nfs/dbraw/zinc/64/48/34/351644834.db2.gz JGZUJPCFJQYINE-VGMNWLOBSA-N 0 0 168.236 1.326 10 0 ADAERN C[C@@H](c1ccco1)[NH+]1CC(C(=O)[O-])C1 83415817 351645651 /nfs/dbraw/zinc/64/56/51/351645651.db2.gz MFLURQBXILUTOX-ZETCQYMHSA-N 0 0 195.218 1.357 10 0 ADAERN O=Cc1cccc(-n2ccnc2)n1 83428759 351645673 /nfs/dbraw/zinc/64/56/73/351645673.db2.gz BVXXKXOJBADSSD-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN OCCc1ccc(Cl)cn1 84284989 351649576 /nfs/dbraw/zinc/64/95/76/351649576.db2.gz AOCQFWCUAYLHSG-UHFFFAOYSA-N 0 0 157.600 1.270 10 0 ADAERN OCC1(c2ccncc2)CCCC1 84333726 351649775 /nfs/dbraw/zinc/64/97/75/351649775.db2.gz LXEJTZSJGOHAGE-UHFFFAOYSA-N 0 0 177.247 1.886 10 0 ADAERN OCC1(c2ccncc2)CCC1 84330035 351649809 /nfs/dbraw/zinc/64/98/09/351649809.db2.gz CKKCIJMCQHWQMG-UHFFFAOYSA-N 0 0 163.220 1.496 10 0 ADAERN OCC1(c2ccncc2)CC1 84328116 351649925 /nfs/dbraw/zinc/64/99/25/351649925.db2.gz ORCDZAYBUQHQAV-UHFFFAOYSA-N 0 0 149.193 1.106 10 0 ADAERN CC(C)(C)CC(=O)NCC1CC(O)C1 84446567 351650514 /nfs/dbraw/zinc/65/05/14/351650514.db2.gz FONWEBCCOFXSIA-UHFFFAOYSA-N 0 0 199.294 1.310 10 0 ADAERN COC(=O)[C@@H](O)CC1CCCC1 84379078 351650664 /nfs/dbraw/zinc/65/06/64/351650664.db2.gz GWTJBKFLOXKLBT-QMMMGPOBSA-N 0 0 172.224 1.101 10 0 ADAERN CC(C)[C@H](C)C(=O)NCC1CC(O)C1 84446416 351650672 /nfs/dbraw/zinc/65/06/72/351650672.db2.gz NQBDBQSPBPUNMV-IDKOKCKLSA-N 0 0 199.294 1.166 10 0 ADAERN CCC(CC)C(=O)NCC1CC(O)C1 84446124 351650818 /nfs/dbraw/zinc/65/08/18/351650818.db2.gz VJERZWAKWAAODM-UHFFFAOYSA-N 0 0 199.294 1.310 10 0 ADAERN CN(C)c1cccnc1Cl 84885984 351651549 /nfs/dbraw/zinc/65/15/49/351651549.db2.gz FGSSRFLCEQNGKB-UHFFFAOYSA-N 0 0 156.616 1.801 10 0 ADAERN OC1CC(CNc2ccc(F)cn2)C1 84448584 351651624 /nfs/dbraw/zinc/65/16/24/351651624.db2.gz XFJBKTQCVILURJ-UHFFFAOYSA-N 0 0 196.225 1.404 10 0 ADAERN OC1CC(CNc2ccccn2)C1 84448615 351651824 /nfs/dbraw/zinc/65/18/24/351651824.db2.gz MAMHSOLNBQCNGY-UHFFFAOYSA-N 0 0 178.235 1.264 10 0 ADAERN Cc1nnc(NCC2CC(O)C2)s1 84448699 351651929 /nfs/dbraw/zinc/65/19/29/351651929.db2.gz HLVDRTSIWGYQPS-UHFFFAOYSA-N 0 0 199.279 1.029 10 0 ADAERN Cc1nsc(NCC2CC(O)C2)n1 84448885 351651959 /nfs/dbraw/zinc/65/19/59/351651959.db2.gz XKYZKKPSRUYVRR-UHFFFAOYSA-N 0 0 199.279 1.029 10 0 ADAERN O=Cc1ccc2c(c1)C=NC2=O 85345527 351653559 /nfs/dbraw/zinc/65/35/59/351653559.db2.gz SAAZCUDZIDKDKH-UHFFFAOYSA-N 0 0 159.144 1.072 10 0 ADAERN C[C@@H]1C=C[C@H](CO)CC1 86864047 351656722 /nfs/dbraw/zinc/65/67/22/351656722.db2.gz BZJJMQUSCWMTBN-SFYZADRCSA-N 0 0 126.199 1.581 10 0 ADAERN OCc1ccc([C@@H](O)C[C@@H]2CO2)cc1 87493587 351660047 /nfs/dbraw/zinc/66/00/47/351660047.db2.gz ARDLQSJWSTVJNF-MNOVXSKESA-N 0 0 194.230 1.001 10 0 ADAERN OCc1ccc([C@H](O)C[C@H]2CO2)cc1 87493588 351659903 /nfs/dbraw/zinc/65/99/03/351659903.db2.gz ARDLQSJWSTVJNF-WDEREUQCSA-N 0 0 194.230 1.001 10 0 ADAERN C[C@@H](O)c1cccc2c[nH]nc12 87493329 351659952 /nfs/dbraw/zinc/65/99/52/351659952.db2.gz IYBAOWXRLUWOMF-ZCFIWIBFSA-N 0 0 162.192 1.616 10 0 ADAERN C[C@@H](O)c1ccc2c(cnn2C)c1 87493356 351660040 /nfs/dbraw/zinc/66/00/40/351660040.db2.gz KPQZSKBOLKCQHS-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN C[C@@H](O)c1cccc2c1cnn2C 87493354 351660074 /nfs/dbraw/zinc/66/00/74/351660074.db2.gz FLGUHGLQYCNEFN-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN C[C@@H](O)c1cccc2cnn(C)c12 87493360 351660098 /nfs/dbraw/zinc/66/00/98/351660098.db2.gz AMIHVAJIXBJBAC-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN C[C@@H](O)c1ccc2cnn(C)c2c1 87493358 351660104 /nfs/dbraw/zinc/66/01/04/351660104.db2.gz JOCKMHUJVCRLAL-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN OCc1ccc([C@H](O)C[C@@H]2CO2)cc1 87493586 351660141 /nfs/dbraw/zinc/66/01/41/351660141.db2.gz ARDLQSJWSTVJNF-GHMZBOCLSA-N 0 0 194.230 1.001 10 0 ADAERN C[C@@H]1NC(c2ccc(Cl)cc2)=NO1 88190022 351661651 /nfs/dbraw/zinc/66/16/51/351661651.db2.gz LKXDWVWBUCSRCS-ZCFIWIBFSA-N 0 0 196.637 1.967 10 0 ADAERN O=Cc1nccn1-c1cccnc1 88189293 351661988 /nfs/dbraw/zinc/66/19/88/351661988.db2.gz YBCSAAFUPWRAAK-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN OCCOc1cccc2ocnc12 89195205 351662099 /nfs/dbraw/zinc/66/20/99/351662099.db2.gz STFWLEYJTJVFQC-UHFFFAOYSA-N 0 0 179.175 1.199 10 0 ADAERN CCOc1nc2c(O)cccc2[nH]1 89195047 351662107 /nfs/dbraw/zinc/66/21/07/351662107.db2.gz ATCRVECNPGUQLI-UHFFFAOYSA-N 0 0 178.191 1.667 10 0 ADAERN CCSc1ncc2c(=O)[nH]ccn12 89195498 351662784 /nfs/dbraw/zinc/66/27/84/351662784.db2.gz IISNOLMJUHILEA-UHFFFAOYSA-N 0 0 195.247 1.135 10 0 ADAERN O=C1CN=C2C=CC(F)=CN12 89201953 351662923 /nfs/dbraw/zinc/66/29/23/351662923.db2.gz OTRARKBPZPIQFR-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN CCOc1cccc2[nH]nc(C=O)c12 89196219 351662932 /nfs/dbraw/zinc/66/29/32/351662932.db2.gz LQSSWEAKLJXKFT-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN O=C1CN=C2C(F)=CC=CN12 89202256 351662950 /nfs/dbraw/zinc/66/29/50/351662950.db2.gz NXCXHRIZXXFBQM-UHFFFAOYSA-N 0 0 152.128 1.179 10 0 ADAERN OCc1ccc(-c2ncc[nH]2)cc1 89202540 351662956 /nfs/dbraw/zinc/66/29/56/351662956.db2.gz NEQBKGINFOOIIY-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN CCOn1ncc2ccc(N)cc21 89197737 351662972 /nfs/dbraw/zinc/66/29/72/351662972.db2.gz RJOOVIJWEBEESA-UHFFFAOYSA-N 0 0 177.207 1.067 10 0 ADAERN O=C1CN=C2C=CC(Cl)=CN12 89201957 351662980 /nfs/dbraw/zinc/66/29/80/351662980.db2.gz AURWFMBPTYPOBH-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN Oc1cc(F)c2n[nH]cc2c1 89197224 351663012 /nfs/dbraw/zinc/66/30/12/351663012.db2.gz AHCITSAKULNLOU-UHFFFAOYSA-N 0 0 152.128 1.408 10 0 ADAERN OCc1nc(Cl)cc2nc[nH]c12 89203084 351663022 /nfs/dbraw/zinc/66/30/22/351663022.db2.gz FWOUBTZZIRLBPW-UHFFFAOYSA-N 0 0 183.598 1.104 10 0 ADAERN O=Cc1nc(Cl)cc2[nH]cnc12 89203118 351663069 /nfs/dbraw/zinc/66/30/69/351663069.db2.gz XHVJVVHISUVCJF-UHFFFAOYSA-N 0 0 181.582 1.424 10 0 ADAERN CCOc1cc2c[nH]nc2cc1N 89197441 351663087 /nfs/dbraw/zinc/66/30/87/351663087.db2.gz OTDCICKHCSZGTF-UHFFFAOYSA-N 0 0 177.207 1.544 10 0 ADAERN OCCc1cccc2c1CCN2 89209636 351663113 /nfs/dbraw/zinc/66/31/13/351663113.db2.gz HDFDDBJPWWDUOL-UHFFFAOYSA-N 0 0 163.220 1.189 10 0 ADAERN O=Cc1cc2[nH]cnc2c(Cl)n1 89203090 351663155 /nfs/dbraw/zinc/66/31/55/351663155.db2.gz CHUIJOWVXHFQFH-UHFFFAOYSA-N 0 0 181.582 1.424 10 0 ADAERN OCCCc1cccc2c1NCC2 89210475 351663171 /nfs/dbraw/zinc/66/31/71/351663171.db2.gz SLINQQDZDFHPLJ-UHFFFAOYSA-N 0 0 177.247 1.580 10 0 ADAERN O=C1CN=C2C(Cl)=CC=CN12 89202259 351663272 /nfs/dbraw/zinc/66/32/72/351663272.db2.gz GQWJLQRVMWVUQG-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN OCc1ccc(F)c2[nH]ccc12 89204618 351663295 /nfs/dbraw/zinc/66/32/95/351663295.db2.gz XPBFBDAIMQQCQD-UHFFFAOYSA-N 0 0 165.167 1.799 10 0 ADAERN OCc1cc2nc[nH]c2c(Cl)n1 89203115 351663311 /nfs/dbraw/zinc/66/33/11/351663311.db2.gz ZZYMBJZVRWPVQL-UHFFFAOYSA-N 0 0 183.598 1.104 10 0 ADAERN OCc1n[nH]c2cc(Cl)ccc12 89195965 351663325 /nfs/dbraw/zinc/66/33/25/351663325.db2.gz OIKGIYYOQUZUTC-UHFFFAOYSA-N 0 0 182.610 1.709 10 0 ADAERN CCOc1cnc2cc[nH]c2c1 89221065 351663798 /nfs/dbraw/zinc/66/37/98/351663798.db2.gz RUZVUAWLOXRMGY-UHFFFAOYSA-N 0 0 162.192 1.962 10 0 ADAERN CCOc1nccc2n[nH]c(C)c12 89220160 351663868 /nfs/dbraw/zinc/66/38/68/351663868.db2.gz OERZHHDOKLCGJB-UHFFFAOYSA-N 0 0 177.207 1.665 10 0 ADAERN OCc1cnc2scnc2c1 89229901 351663905 /nfs/dbraw/zinc/66/39/05/351663905.db2.gz WIHSJOJPJPJGHY-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN S=c1[nH]ccc2n[nH]cc12 89220360 351663915 /nfs/dbraw/zinc/66/39/15/351663915.db2.gz RQKGKQKPQGJPJE-UHFFFAOYSA-N 0 0 151.194 1.620 10 0 ADAERN S=c1[nH]ccc2c[nH]nc12 89223187 351663969 /nfs/dbraw/zinc/66/39/69/351663969.db2.gz OLASRICTKNVMDZ-UHFFFAOYSA-N 0 0 151.194 1.620 10 0 ADAERN CCOc1ncnc2[nH]ccc12 89223853 351664302 /nfs/dbraw/zinc/66/43/02/351664302.db2.gz KPSBLSBABRIUJP-UHFFFAOYSA-N 0 0 163.180 1.357 10 0 ADAERN CC(C)COc1ncnc2[nH]ccc12 89223849 351664091 /nfs/dbraw/zinc/66/40/91/351664091.db2.gz OJMXXQSLNWZSKJ-UHFFFAOYSA-N 0 0 191.234 1.993 10 0 ADAERN C[C@@H](O)c1nc(Cl)nc2n[nH]cc12 89222519 351664108 /nfs/dbraw/zinc/66/41/08/351664108.db2.gz PFOARRXJJCZYIU-GSVOUGTGSA-N 0 0 198.613 1.060 10 0 ADAERN O=Cc1ccnc2ncsc12 89229282 351664118 /nfs/dbraw/zinc/66/41/18/351664118.db2.gz MMRNRRWHIAZUBH-UHFFFAOYSA-N 0 0 164.189 1.504 10 0 ADAERN Oc1cnc(Cl)c2[nH]ccc12 89213002 351664242 /nfs/dbraw/zinc/66/42/42/351664242.db2.gz CVWNPZCOZOABRL-UHFFFAOYSA-N 0 0 168.583 1.922 10 0 ADAERN OCc1ccc2ncsc2n1 89229854 351664280 /nfs/dbraw/zinc/66/42/80/351664280.db2.gz KXKIVRWHINEKJH-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN CCOc1ncnc2cc[nH]c12 89223733 351664297 /nfs/dbraw/zinc/66/42/97/351664297.db2.gz OGSKBVXRCWJDHZ-UHFFFAOYSA-N 0 0 163.180 1.357 10 0 ADAERN c1cc2cc(-n3cnnc3)ncc2[nH]1 89213156 351664327 /nfs/dbraw/zinc/66/43/27/351664327.db2.gz ILEXEZUJPSSEPU-UHFFFAOYSA-N 0 0 185.190 1.144 10 0 ADAERN c1ncn(-c2cc3cc[nH]c3cn2)n1 89213157 351664361 /nfs/dbraw/zinc/66/43/61/351664361.db2.gz MFSITKSGPDYTRK-UHFFFAOYSA-N 0 0 185.190 1.144 10 0 ADAERN CCOc1nc(Cl)nc2n[nH]cc12 89222539 351664379 /nfs/dbraw/zinc/66/43/79/351664379.db2.gz DNLMWWLLGMTQII-UHFFFAOYSA-N 0 0 198.613 1.405 10 0 ADAERN c1nc2c3cc-3cc2[nH]1 90750979 351664823 /nfs/dbraw/zinc/66/48/23/351664823.db2.gz ZNQFXBINCVPRQJ-UHFFFAOYSA-N 0 0 116.123 1.543 10 0 ADAERN OCc1ccc2cccc-2o1 90728009 351664951 /nfs/dbraw/zinc/66/49/51/351664951.db2.gz OKEJTTGEIISOQT-UHFFFAOYSA-N 0 0 148.161 1.877 10 0 ADAERN c1cc2c(cn1)OSO2 90755481 351665044 /nfs/dbraw/zinc/66/50/44/351665044.db2.gz YBYCBDARHOYGQV-UHFFFAOYSA-N 0 0 141.151 1.416 10 0 ADAERN C[C@@H]1Cc2c(O)cccc2N1 90400570 351665415 /nfs/dbraw/zinc/66/54/15/351665415.db2.gz XOJUZGWOQMIMHK-ZCFIWIBFSA-N 0 0 149.193 1.749 10 0 ADAERN c1cc2nocc2c2nocc12 90677252 351665606 /nfs/dbraw/zinc/66/56/06/351665606.db2.gz WMXJZOMFHMZNNL-UHFFFAOYSA-N 0 0 160.132 1.969 10 0 ADAERN S=C1C=CC2=CCC(=S)N12 90742130 351665618 /nfs/dbraw/zinc/66/56/18/351665618.db2.gz DJCUMQBBQJEGLV-UHFFFAOYSA-N 0 0 167.258 1.801 10 0 ADAERN OCC[C@H](O)Cc1ccsc1 95078867 351666913 /nfs/dbraw/zinc/66/69/13/351666913.db2.gz FAKWXOUVZONICU-QMMMGPOBSA-N 0 0 172.249 1.034 10 0 ADAERN OCC[C@@H](O)c1ccnc(Cl)c1 95078819 351666940 /nfs/dbraw/zinc/66/69/40/351666940.db2.gz IAHIFFJMNLIFIL-SSDOTTSWSA-N 0 0 187.626 1.151 10 0 ADAERN OCC[C@H](O)c1ccnc(Cl)c1 95078820 351667059 /nfs/dbraw/zinc/66/70/59/351667059.db2.gz IAHIFFJMNLIFIL-ZETCQYMHSA-N 0 0 187.626 1.151 10 0 ADAERN OCC[C@@H](O)Cc1ccsc1 95078866 351667077 /nfs/dbraw/zinc/66/70/77/351667077.db2.gz FAKWXOUVZONICU-MRVPVSSYSA-N 0 0 172.249 1.034 10 0 ADAERN OCc1ocnc1Cc1ccccc1 95078376 351667187 /nfs/dbraw/zinc/66/71/87/351667187.db2.gz UICWZVLRXUGKJX-UHFFFAOYSA-N 0 0 189.214 1.758 10 0 ADAERN OCC[C@H](O)c1ccsc1 95078826 351667235 /nfs/dbraw/zinc/66/72/35/351667235.db2.gz OMOCPVDLPNCZMW-ZETCQYMHSA-N 0 0 158.222 1.164 10 0 ADAERN OCC[C@@H](O)c1ccsc1 95078825 351667302 /nfs/dbraw/zinc/66/73/02/351667302.db2.gz OMOCPVDLPNCZMW-SSDOTTSWSA-N 0 0 158.222 1.164 10 0 ADAERN O[C@@H]1CCc2ccc3c(c21)CCO3 95080164 351667769 /nfs/dbraw/zinc/66/77/69/351667769.db2.gz ZLRZRPVAJJZTEI-SECBINFHSA-N 0 0 176.215 1.601 10 0 ADAERN C[C@@H](c1ccc[nH]1)[NH+]1CC(C(=O)[O-])C1 95088938 351668049 /nfs/dbraw/zinc/66/80/49/351668049.db2.gz NHAUNLZVNRKIDE-ZETCQYMHSA-N 0 0 194.234 1.092 10 0 ADAERN C[C@@H](c1nccs1)N1CC(CO)C1 95088950 351668159 /nfs/dbraw/zinc/66/81/59/351668159.db2.gz SZDUWUYEJCSDAM-ZETCQYMHSA-N 0 0 198.291 1.128 10 0 ADAERN S=C1CCCCCCN1 95496316 351670291 /nfs/dbraw/zinc/67/02/91/351670291.db2.gz ZLUNIUCVHBOLSC-UHFFFAOYSA-N 0 0 143.255 1.868 10 0 ADAERN O=Cc1ccnc2c1CCCN2 95764345 351673579 /nfs/dbraw/zinc/67/35/79/351673579.db2.gz XJXHXGBVLKWFRO-UHFFFAOYSA-N 0 0 162.192 1.252 10 0 ADAERN O=Cc1ccc(F)c(Cl)n1 95761888 351673655 /nfs/dbraw/zinc/67/36/55/351673655.db2.gz RIJHWQXAHPRKAO-UHFFFAOYSA-N 0 0 159.547 1.687 10 0 ADAERN c1ncc2c(ccc3[nH]cnc32)n1 95922884 351675303 /nfs/dbraw/zinc/67/53/03/351675303.db2.gz SVDBONWIXMGDMM-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN O[C@H]1C[C@@H]2CNc3ccccc3N2C1 95923009 351675311 /nfs/dbraw/zinc/67/53/11/351675311.db2.gz ZECIZWFKUHNOHM-BDAKNGLRSA-N 0 0 190.246 1.052 10 0 ADAERN c1cc2ccn3cnc(c1)c23 95922966 351675343 /nfs/dbraw/zinc/67/53/43/351675343.db2.gz ZUDKFXREMXOPGA-UHFFFAOYSA-N 0 0 142.161 1.925 10 0 ADAERN c1cc2ncn3cnc(c1)c23 95922951 351675355 /nfs/dbraw/zinc/67/53/55/351675355.db2.gz DRFOHECVAKERJV-UHFFFAOYSA-N 0 0 143.149 1.320 10 0 ADAERN O=[S@]1CCc2nc3ccccc3n21 95923152 351675394 /nfs/dbraw/zinc/67/53/94/351675394.db2.gz YROSLHGOJYDZGC-CYBMUJFWSA-N 0 0 192.243 1.104 10 0 ADAERN c1nc2cc3nonc3cc2[nH]1 95922780 351675411 /nfs/dbraw/zinc/67/54/11/351675411.db2.gz SYCFRCKHKQIOFQ-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN c1cc2ncn3cc[nH]c(c1)c23 95922937 351675419 /nfs/dbraw/zinc/67/54/19/351675419.db2.gz UDILIWAITCTBJM-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN c1ccc2c(c1)nc1cnccn12 95923159 351675439 /nfs/dbraw/zinc/67/54/39/351675439.db2.gz UKMQVSPVPRCNFZ-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN c1nc2ccc3n[nH]oc3c2n1 95921928 351675449 /nfs/dbraw/zinc/67/54/49/351675449.db2.gz WIDIBCPKNUBLCR-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN c1ccc2[nH]c(-n3ccnn3)nc2c1 95923061 351675510 /nfs/dbraw/zinc/67/55/10/351675510.db2.gz DLJVPDJASLWEFR-UHFFFAOYSA-N 0 0 185.190 1.144 10 0 ADAERN c1nc2ccc3n[nH]sc3c2n1 95922882 351675514 /nfs/dbraw/zinc/67/55/14/351675514.db2.gz ZBAPTBRNNCVUFB-UHFFFAOYSA-N 0 0 176.204 1.568 10 0 ADAERN c1ccc2c(c1)[nH]c1cncn12 95923064 351675533 /nfs/dbraw/zinc/67/55/33/351675533.db2.gz VSDVEAQZJUDROX-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN c1ncc2ccc3[nH]cnc3c2n1 95922878 351675608 /nfs/dbraw/zinc/67/56/08/351675608.db2.gz KJMFQJFNQYWQAV-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN O=c1ccc2nc3ccccc3n2[nH]1 95923162 351675611 /nfs/dbraw/zinc/67/56/11/351675611.db2.gz OWMAHCJLPOYEEH-UHFFFAOYSA-N 0 0 185.186 1.176 10 0 ADAERN O=Cc1cnc2[nH]c3ccccc3n12 95923156 351675634 /nfs/dbraw/zinc/67/56/34/351675634.db2.gz SSKOJFDTFDUPFH-UHFFFAOYSA-N 0 0 185.186 1.628 10 0 ADAERN c1ccc2c(c1)nc1n2COC1 95923141 351675645 /nfs/dbraw/zinc/67/56/45/351675645.db2.gz JRRDURPMNCTYNX-UHFFFAOYSA-N 0 0 160.176 1.524 10 0 ADAERN c1ccc2c(c1)[nH]c1cnnn12 95923154 351675727 /nfs/dbraw/zinc/67/57/27/351675727.db2.gz ZWAUDEMFTAOOOJ-UHFFFAOYSA-N 0 0 158.164 1.211 10 0 ADAERN CC(C)CNNCc1ccccn1 95917784 351675750 /nfs/dbraw/zinc/67/57/50/351675750.db2.gz ZLBMYKGWLJBTSB-UHFFFAOYSA-N 0 0 179.267 1.332 10 0 ADAERN c1nc2cc3cnncc3cc2[nH]1 95922784 351675802 /nfs/dbraw/zinc/67/58/02/351675802.db2.gz SCYJJTCIUKFGBP-UHFFFAOYSA-N 0 0 170.175 1.506 10 0 ADAERN c1nc2c(ccc3snnc32)[nH]1 95922881 351675803 /nfs/dbraw/zinc/67/58/03/351675803.db2.gz KVXDUIZYWKQVFH-UHFFFAOYSA-N 0 0 176.204 1.568 10 0 ADAERN S=c1[nH]cc2[nH]c3ccccc3n12 95921962 351675823 /nfs/dbraw/zinc/67/58/23/351675823.db2.gz IYHKTDPKZITRNN-UHFFFAOYSA-N 0 0 189.243 1.273 10 0 ADAERN c1cc2ncc3c(n2c1)OCO3 95930888 351676156 /nfs/dbraw/zinc/67/61/56/351676156.db2.gz SYMAFDRQVPJWDH-UHFFFAOYSA-N 0 0 162.148 1.063 10 0 ADAERN c1cc2oncc2c2c1OCO2 95930900 351676259 /nfs/dbraw/zinc/67/62/59/351676259.db2.gz ZFTUYNLXSLFRIS-UHFFFAOYSA-N 0 0 163.132 1.557 10 0 ADAERN c1cc2oc=2c2c(o1)OCO2 95930890 351676255 /nfs/dbraw/zinc/67/62/55/351676255.db2.gz DYELMNVAUVSVHN-UHFFFAOYSA-N 0 0 152.105 1.326 10 0 ADAERN OCC[C@@H]1OCC=C2C=CC=C21 95931599 351676310 /nfs/dbraw/zinc/67/63/10/351676310.db2.gz TVYNVGVINSHERN-JTQLQIEISA-N 0 0 164.204 1.190 10 0 ADAERN Oc1cnc2scnc2c1 95931452 351676346 /nfs/dbraw/zinc/67/63/46/351676346.db2.gz AQVOLTZUFZEYSX-UHFFFAOYSA-N 0 0 152.178 1.397 10 0 ADAERN c1cc2cnc3cn[nH]c3n2c1 95931529 351676383 /nfs/dbraw/zinc/67/63/83/351676383.db2.gz IPIOBSVLACUIDT-UHFFFAOYSA-N 0 0 158.164 1.211 10 0 ADAERN CC(C)(O)c1ccc2c(c1)CCO2 95931565 351676390 /nfs/dbraw/zinc/67/63/90/351676390.db2.gz HVMRGSYGMYWIEK-UHFFFAOYSA-N 0 0 178.231 1.849 10 0 ADAERN c1cc2nocc2c2c1OCO2 95930902 351676412 /nfs/dbraw/zinc/67/64/12/351676412.db2.gz PFQNCWYWZTZKOY-UHFFFAOYSA-N 0 0 163.132 1.557 10 0 ADAERN c1cc2c3c(on2c1)OCO3 95930898 351676438 /nfs/dbraw/zinc/67/64/38/351676438.db2.gz WXPPOVJKPQKHEU-UHFFFAOYSA-N 0 0 151.121 1.261 10 0 ADAERN C[C@@H]1C(=O)Nc2cccc3ncn1c23 95923816 351676560 /nfs/dbraw/zinc/67/65/60/351676560.db2.gz VRQSPYXESBSCQW-ZCFIWIBFSA-N 0 0 187.202 1.549 10 0 ADAERN c1cc2n[nH]cc2c2nocc12 95931525 351676565 /nfs/dbraw/zinc/67/65/65/351676565.db2.gz UYBYFENGRBZCSZ-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1nc2c(ccc3nocc32)[nH]1 95931515 351676578 /nfs/dbraw/zinc/67/65/78/351676578.db2.gz NQHGQFFSECPUGF-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1cc2nncc2c2o[nH]cc12 95931739 351676591 /nfs/dbraw/zinc/67/65/91/351676591.db2.gz DKNHDAKOTKFFFP-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1cc2oncc2c2n[nH]cc12 95931523 351676597 /nfs/dbraw/zinc/67/65/97/351676597.db2.gz REUMAJCLYOJFQE-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN OCC[C@H]1OCC=C2C=CC=C21 95931600 351676607 /nfs/dbraw/zinc/67/66/07/351676607.db2.gz TVYNVGVINSHERN-SNVBAGLBSA-N 0 0 164.204 1.190 10 0 ADAERN O=c1ccc2n[nH][n-]c-2c1Cl 95930786 351676658 /nfs/dbraw/zinc/67/66/58/351676658.db2.gz UUEMIFYCDMGYAI-UHFFFAOYSA-N 0 0 169.571 1.317 10 0 ADAERN O=Cc1ccc2sc(C=O)nc2c1 95931615 351676802 /nfs/dbraw/zinc/67/68/02/351676802.db2.gz MXKROJKZQFDEIO-UHFFFAOYSA-N 0 0 191.211 1.921 10 0 ADAERN CCOc1cnc2[nH]cc(N)c2c1F 95936838 351677010 /nfs/dbraw/zinc/67/70/10/351677010.db2.gz MMCWIBSSBAGKLG-UHFFFAOYSA-N 0 0 195.197 1.683 10 0 ADAERN Cc1cc2ncc(C=O)cc2n1C 95936222 351677042 /nfs/dbraw/zinc/67/70/42/351677042.db2.gz CSMUVKZZQIEIEE-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN c1cc2nocc2o1 95936137 351677066 /nfs/dbraw/zinc/67/70/66/351677066.db2.gz FQZRSOGJCKKPTM-UHFFFAOYSA-N 0 0 109.084 1.421 10 0 ADAERN OCCc1ccc2cccc-2o1 95932671 351677069 /nfs/dbraw/zinc/67/70/69/351677069.db2.gz GWNDVKPHNZZRSW-UHFFFAOYSA-N 0 0 162.188 1.919 10 0 ADAERN OCCc1csc(=S)[nH]1 95935405 351677140 /nfs/dbraw/zinc/67/71/40/351677140.db2.gz DUCZXCFJYDFWBP-UHFFFAOYSA-N 0 0 161.251 1.340 10 0 ADAERN CCOc1c[nH]c2ncc(N)cc12 95936856 351677147 /nfs/dbraw/zinc/67/71/47/351677147.db2.gz QSDVHJYREJJORC-UHFFFAOYSA-N 0 0 177.207 1.544 10 0 ADAERN OCCc1occc2cccc1-2 95935922 351677171 /nfs/dbraw/zinc/67/71/71/351677171.db2.gz UBINRCSQAXPYMT-UHFFFAOYSA-N 0 0 162.188 1.919 10 0 ADAERN c1cc2c(c3c1=NN=N3)SCN=2 95936015 351677233 /nfs/dbraw/zinc/67/72/33/351677233.db2.gz UHYISDCXHNDRHZ-UHFFFAOYSA-N 0 0 176.204 1.001 10 0 ADAERN O=c1ccn(Cl)cc1Cl 95932515 351677350 /nfs/dbraw/zinc/67/73/50/351677350.db2.gz ZHPHUOXXPFXTAI-UHFFFAOYSA-N 0 0 163.991 1.504 10 0 ADAERN OCc1ccc2c(c1)OCOC2 95935614 351677367 /nfs/dbraw/zinc/67/73/67/351677367.db2.gz LFIBAAVBULGYJD-UHFFFAOYSA-N 0 0 166.176 1.045 10 0 ADAERN CCOc1ccncc1C(=O)OC 95936211 351677374 /nfs/dbraw/zinc/67/73/74/351677374.db2.gz JUHTVOBDWJJRNI-UHFFFAOYSA-N 0 0 181.191 1.267 10 0 ADAERN c1cc2ncsc2o1 95936139 351677538 /nfs/dbraw/zinc/67/75/38/351677538.db2.gz FZBVISKWTHNOOS-UHFFFAOYSA-N 0 0 125.152 1.889 10 0 ADAERN c1cc2c(cn1)COS2 95932252 351677542 /nfs/dbraw/zinc/67/75/42/351677542.db2.gz AKQRSZMTIIGDIY-UHFFFAOYSA-N 0 0 139.179 1.619 10 0 ADAERN c1cnc2c(c1)COS2 95932251 351677564 /nfs/dbraw/zinc/67/75/64/351677564.db2.gz VMHUOZOQWQSZQI-UHFFFAOYSA-N 0 0 139.179 1.619 10 0 ADAERN O[C@@H]1C=Cc2ccc(Cl)nc2[C@H]1O 95935178 351677566 /nfs/dbraw/zinc/67/75/66/351677566.db2.gz IFNXHWSNYLLEOV-MUWHJKNJSA-N 0 0 197.621 1.156 10 0 ADAERN O=Cc1cc(F)ccc1-c1ncon1 96102617 351679103 /nfs/dbraw/zinc/67/91/03/351679103.db2.gz SEEVQTSFNKMWON-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN O=Cc1ccc(-c2ncon2)c(F)c1 96102616 351679145 /nfs/dbraw/zinc/67/91/45/351679145.db2.gz AXRUFJYGMWLUKK-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN Oc1ccc(-c2ncon2)c(F)c1 96102590 351679551 /nfs/dbraw/zinc/67/95/51/351679551.db2.gz VDHDDCDSWTUNLY-UHFFFAOYSA-N 0 0 180.138 1.581 10 0 ADAERN O=Cc1ccc(F)cc1-c1ncon1 96102623 351679864 /nfs/dbraw/zinc/67/98/64/351679864.db2.gz ZHROCCYWBFSWIH-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN O=c1[nH]cncc1C1CCCC1 96312711 351680246 /nfs/dbraw/zinc/68/02/46/351680246.db2.gz JHGLTRISUQJPFG-UHFFFAOYSA-N 0 0 164.208 1.428 10 0 ADAERN O=c1[nH]cncc1Cc1ccccc1 96312688 351680348 /nfs/dbraw/zinc/68/03/48/351680348.db2.gz MIXSIMGCLDYGMF-UHFFFAOYSA-N 0 0 186.214 1.361 10 0 ADAERN O=c1ccc(-c2cccnc2F)c[nH]1 96312030 351680361 /nfs/dbraw/zinc/68/03/61/351680361.db2.gz NTSTZVPTGRHBCY-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1cccc(-c2cccnc2F)[nH]1 96311804 351680490 /nfs/dbraw/zinc/68/04/90/351680490.db2.gz UCRIZFUMGYTENU-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN c1cc2n(c1)Cc1cccn1C2 96330648 351680545 /nfs/dbraw/zinc/68/05/45/351680545.db2.gz NEGAAFKHJHOUOG-UHFFFAOYSA-N 0 0 158.204 1.700 10 0 ADAERN OCCn1cnc2c(Cl)nccc21 96311617 351680605 /nfs/dbraw/zinc/68/06/05/351680605.db2.gz ZPAAJJFAEFYIJU-UHFFFAOYSA-N 0 0 197.625 1.077 10 0 ADAERN OCCn1cnc2ccc(Cl)nc21 96311471 351680615 /nfs/dbraw/zinc/68/06/15/351680615.db2.gz DJFVZRFRBKRXSK-UHFFFAOYSA-N 0 0 197.625 1.077 10 0 ADAERN O=S(=O)(c1cccnc1)C(F)F 96308595 351680723 /nfs/dbraw/zinc/68/07/23/351680723.db2.gz DGXYSHQFBGNRED-UHFFFAOYSA-N 0 0 193.174 1.078 10 0 ADAERN O=c1[nH]cncc1-c1ccc(F)cc1 96301864 351680732 /nfs/dbraw/zinc/68/07/32/351680732.db2.gz CKEWPWSJPYYZFA-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN O=c1[nH]cncc1-c1ccccc1O 96301430 351680780 /nfs/dbraw/zinc/68/07/80/351680780.db2.gz QPPHRKADXIQDPO-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN O=c1[nH]cncc1-c1cccc(O)c1 96312760 351680794 /nfs/dbraw/zinc/68/07/94/351680794.db2.gz ILAKMRVFUHCTTN-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN OCc1nc2ccnc(Cl)c2[nH]1 96311624 351680800 /nfs/dbraw/zinc/68/08/00/351680800.db2.gz DOCVOADSFOQMBE-UHFFFAOYSA-N 0 0 183.598 1.104 10 0 ADAERN O=c1[nH]cncc1-c1ccoc1 96312700 351680805 /nfs/dbraw/zinc/68/08/05/351680805.db2.gz BKKGGIXHJXIUDE-UHFFFAOYSA-N 0 0 162.148 1.030 10 0 ADAERN O=c1[nH]cncc1-c1ccc(O)cc1 96312716 351680842 /nfs/dbraw/zinc/68/08/42/351680842.db2.gz OZNKMJUKQJQOGJ-UHFFFAOYSA-N 0 0 188.186 1.143 10 0 ADAERN O=c1cccc(-c2ccc(F)nc2)[nH]1 96311850 351680849 /nfs/dbraw/zinc/68/08/49/351680849.db2.gz KSLMQLZVKMKGDJ-UHFFFAOYSA-N 0 0 190.177 1.576 10 0 ADAERN CC[C@@H](C)c1cccc(=O)[nH]1 96311960 351680868 /nfs/dbraw/zinc/68/08/68/351680868.db2.gz JDYIJYCPVDIGHD-SSDOTTSWSA-N 0 0 151.209 1.888 10 0 ADAERN CCOc1ccc(/C=C\C(N)=O)cc1 96653125 351683180 /nfs/dbraw/zinc/68/31/80/351683180.db2.gz HCJZZMMISOVVGX-YVMONPNESA-N 0 0 191.230 1.584 10 0 ADAERN OCc1cc(Cl)sc1CO 96663750 351683355 /nfs/dbraw/zinc/68/33/55/351683355.db2.gz DZLAINKEVPYKAQ-UHFFFAOYSA-N 0 0 178.640 1.386 10 0 ADAERN CNC(=O)c1csc(C)c1C 96752457 351683485 /nfs/dbraw/zinc/68/34/85/351683485.db2.gz WUERHPNNQDXNBW-UHFFFAOYSA-N 0 0 169.249 1.725 10 0 ADAERN C[C@@H]1CC[C@@H](C)N(C(=O)NC2CC2)C1 97010185 351684632 /nfs/dbraw/zinc/68/46/32/351684632.db2.gz LVFKKXNUOPUJSN-RKDXNWHRSA-N 0 0 196.294 1.979 10 0 ADAERN S=C(NCC1CC1)c1cccnc1 97673658 351684724 /nfs/dbraw/zinc/68/47/24/351684724.db2.gz VBTPVHDACFOGFZ-UHFFFAOYSA-N 0 0 192.287 1.757 10 0 ADAERN Nc1nsc2cccnc12 165943090 351767017 /nfs/dbraw/zinc/76/70/17/351767017.db2.gz QEMUGXJJNUZWAK-UHFFFAOYSA-N 0 0 151.194 1.274 10 0 ADAERN O=C1COc2c(O)cccc21 100050745 351688311 /nfs/dbraw/zinc/68/83/11/351688311.db2.gz MGKXFRSMTQMJDI-UHFFFAOYSA-N 0 0 150.133 1.844 10 0 ADAERN c1cc2c3[nH]ccn3cnc-2n1 100078521 351689437 /nfs/dbraw/zinc/68/94/37/351689437.db2.gz YRKWEPCWNNXJKB-UHFFFAOYSA-N 0 0 158.164 1.211 10 0 ADAERN c1cc2coc3c2nc1C3 100139836 351690870 /nfs/dbraw/zinc/69/08/70/351690870.db2.gz QYYOMCFJYSEFCQ-UHFFFAOYSA-N 0 0 131.134 1.732 10 0 ADAERN c1nc2c(ccc3nonc32)[nH]1 100178568 351691530 /nfs/dbraw/zinc/69/15/30/351691530.db2.gz KNUKZFXMVLAAEZ-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN c1nc2c3cc(cc2[nH]1)C3 100180017 351691536 /nfs/dbraw/zinc/69/15/36/351691536.db2.gz CKANYSIEAFEWDS-UHFFFAOYSA-N 0 0 130.150 1.467 10 0 ADAERN c1ccc2c(c1)[nH]c1ccnn12 100178402 351691564 /nfs/dbraw/zinc/69/15/64/351691564.db2.gz SCAVIRZESCFSPE-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN O[C@H]1CC[C@H](Nc2ncccn2)CC1 100173990 351691571 /nfs/dbraw/zinc/69/15/71/351691571.db2.gz AHMYIXPGCOBQPB-DTORHVGOSA-N 0 0 193.250 1.192 10 0 ADAERN C[C@@H]1Oc2cnccc2C1=O 100189216 351692028 /nfs/dbraw/zinc/69/20/28/351692028.db2.gz OZQXPHITVRUPFZ-YFKPBYRVSA-N 0 0 149.149 1.045 10 0 ADAERN c1ncc2cc3cc(c2n1)C3 100190722 351692078 /nfs/dbraw/zinc/69/20/78/351692078.db2.gz BJDHQDIQJHNYEU-UHFFFAOYSA-N 0 0 142.161 1.534 10 0 ADAERN C[C@@H]1Oc2ncccc2C1=O 100189082 351692084 /nfs/dbraw/zinc/69/20/84/351692084.db2.gz JOWDJQPKMGBDOR-YFKPBYRVSA-N 0 0 149.149 1.045 10 0 ADAERN O=C1COc2cc(O)ccc21 100206035 351692116 /nfs/dbraw/zinc/69/21/16/351692116.db2.gz NCXTXUZQHUMZPO-UHFFFAOYSA-N 0 0 150.133 1.844 10 0 ADAERN O=Cc1ccc2cc1OCO2 100209744 351692344 /nfs/dbraw/zinc/69/23/44/351692344.db2.gz LYPCIHQOERORHG-UHFFFAOYSA-N 0 0 150.133 1.228 10 0 ADAERN C[C@@H]1C=CN=C2SC=CN21 100231170 351692707 /nfs/dbraw/zinc/69/27/07/351692707.db2.gz VKTKKCGCKYUDMD-ZCFIWIBFSA-N 0 0 152.222 1.778 10 0 ADAERN Oc1ccn2cccc2c1 100228391 351692722 /nfs/dbraw/zinc/69/27/22/351692722.db2.gz JPHZXOMIVRMJNA-UHFFFAOYSA-N 0 0 133.150 1.645 10 0 ADAERN S=c1c2c(nc3[nH]cnn13)CCC2 100227668 351692754 /nfs/dbraw/zinc/69/27/54/351692754.db2.gz PFNUYBITWJFFND-UHFFFAOYSA-N 0 0 192.247 1.276 10 0 ADAERN c1[nH]nc2nc3oncc3cc12 100279494 351693808 /nfs/dbraw/zinc/69/38/08/351693808.db2.gz QUOYAWVXZUUICO-UHFFFAOYSA-N 0 0 160.136 1.099 10 0 ADAERN O[C@H]1CC[C@H](Nc2ccccn2)CC1 100279862 351693787 /nfs/dbraw/zinc/69/37/87/351693787.db2.gz URUIFNIYWWHXBH-AOOOYVTPSA-N 0 0 192.262 1.797 10 0 ADAERN c1cc2nonc2c2c[nH]cc12 100290233 351694310 /nfs/dbraw/zinc/69/43/10/351694310.db2.gz CZPXTPKICQGQBX-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1cc2conc2c2n[nH]cc12 100290076 351694318 /nfs/dbraw/zinc/69/43/18/351694318.db2.gz DDDBOQRFRBTNEB-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN c1ccc2c(c1)[nH]n1ccnc21 100289533 351694323 /nfs/dbraw/zinc/69/43/23/351694323.db2.gz JNMLPUPVEHOXKY-UHFFFAOYSA-N 0 0 157.176 1.816 10 0 ADAERN c1cc2c[nH]oc2c2nncc12 100298557 351694343 /nfs/dbraw/zinc/69/43/43/351694343.db2.gz XKDALCBMHMPFJD-UHFFFAOYSA-N 0 0 159.148 1.704 10 0 ADAERN S=c1ccnc2[nH]ccn12 100292295 351694345 /nfs/dbraw/zinc/69/43/45/351694345.db2.gz XBDWPLQDSSKDKV-UHFFFAOYSA-N 0 0 151.194 1.392 10 0 ADAERN C[C@@H]1C(=O)Nc2c1ccccc2=O 100285344 351694366 /nfs/dbraw/zinc/69/43/66/351694366.db2.gz NJQAGYMAYSNVPE-LURJTMIESA-N 0 0 175.187 1.102 10 0 ADAERN O=Nc1ccc(NO)cc1 100301795 351694380 /nfs/dbraw/zinc/69/43/80/351694380.db2.gz DZCCLNYLUGNUKQ-UHFFFAOYSA-N 0 0 138.126 1.886 10 0 in-vitro ADAERN O=C1C=COC1Br 100307887 351694615 /nfs/dbraw/zinc/69/46/15/351694615.db2.gz DZGUHJUNSMCRTR-UHFFFAOYSA-N 0 0 162.970 1.748 10 0 ADAERN O=C1CC=C2N=CN=C2C1 100317946 351695033 /nfs/dbraw/zinc/69/50/33/351695033.db2.gz QRIMSWXWUGLCCD-UHFFFAOYSA-N 0 0 134.138 1.199 10 0 ADAERN S=C1Cc2ccccc2O1 100366179 351695447 /nfs/dbraw/zinc/69/54/47/351695447.db2.gz XGIXBZNKLCEBLB-UHFFFAOYSA-N 0 0 150.202 1.949 10 0 ADAERN S=c1[nH]cnc2[nH]ccc12 100728769 351701294 /nfs/dbraw/zinc/70/12/94/351701294.db2.gz JXYXGAQKIILSLR-UHFFFAOYSA-N 0 0 151.194 1.398 10 0 ADAERN Cc1ccncc1[C@H]1COC(=O)N1 135556804 351740729 /nfs/dbraw/zinc/74/07/29/351740729.db2.gz FNMNQGBMXCILQJ-MRVPVSSYSA-N 0 0 178.191 1.171 10 0 ADAERN O=c1[nH]c(CF)nc2ccccc12 103185036 351707611 /nfs/dbraw/zinc/70/76/11/351707611.db2.gz RTAQXMPLDYGGHQ-UHFFFAOYSA-N 0 0 178.166 1.393 10 0 ADAERN Brc1cc[nH]n1 103589287 351708079 /nfs/dbraw/zinc/70/80/79/351708079.db2.gz IZVSUZSUIXIALI-UHFFFAOYSA-N 0 0 146.975 1.169 10 0 ADAERN OCc1ccccc1-c1ncc[nH]1 104400722 351712882 /nfs/dbraw/zinc/71/28/82/351712882.db2.gz MNRUISJCEBFBRC-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN CC[C@@H](C)c1cncc(OC)n1 104367827 351712905 /nfs/dbraw/zinc/71/29/05/351712905.db2.gz CRSGGIZVNCNYRT-SSDOTTSWSA-N 0 0 166.224 1.999 10 0 ADAERN C[C@@H]1CC[C@H](CC(N)=O)C1 104554642 351713616 /nfs/dbraw/zinc/71/36/16/351713616.db2.gz GJOQFDKFTONJHH-RQJHMYQMSA-N 0 0 141.214 1.298 10 0 ADAERN c1ccc2c(c1)=NC1(CCCC1)N=2 104457541 351713759 /nfs/dbraw/zinc/71/37/59/351713759.db2.gz ALIUDBSEKVFDBC-UHFFFAOYSA-N 0 0 172.231 1.210 10 0 ADAERN OCCCCCc1c[nH]cn1 104569186 351713805 /nfs/dbraw/zinc/71/38/05/351713805.db2.gz ISRQLNZLCAOWJG-UHFFFAOYSA-N 0 0 154.213 1.115 10 0 ADAERN c1cc2c[nH]nc2cc1C1=NCCO1 104496851 351713986 /nfs/dbraw/zinc/71/39/86/351713986.db2.gz IAJZEBLTKBRRON-UHFFFAOYSA-N 0 0 187.202 1.340 10 0 ADAERN CCOc1ccc2[nH]c(=NN)[nH]c2c1 104546753 351713992 /nfs/dbraw/zinc/71/39/92/351713992.db2.gz QMVKGRVIYXQLQD-UHFFFAOYSA-N 0 0 192.222 1.247 10 0 ADAERN CC[C@@H](C)NC(=O)C1CCC(=O)CC1 106874586 351717340 /nfs/dbraw/zinc/71/73/40/351717340.db2.gz RLLHRFXCUQOPEK-MRVPVSSYSA-N 0 0 197.278 1.660 10 0 ADAERN CC(C)CNC(=O)C1CCC(=O)CC1 106874583 351717523 /nfs/dbraw/zinc/71/75/23/351717523.db2.gz QEFVVKJGSBWTMK-UHFFFAOYSA-N 0 0 197.278 1.518 10 0 ADAERN Cc1cccc2c1S(=O)(=O)CCN2 107140460 351717970 /nfs/dbraw/zinc/71/79/70/351717970.db2.gz MFDVLVBWRANFOW-UHFFFAOYSA-N 0 0 197.259 1.194 10 0 ADAERN O[C@@H](c1cccnc1)c1nccs1 110133976 351721908 /nfs/dbraw/zinc/72/19/08/351721908.db2.gz SZXIESCSFKZZMO-QMMMGPOBSA-N 0 0 192.243 1.620 10 0 ADAERN O[C@H](c1cccnc1)c1nccs1 110133980 351721969 /nfs/dbraw/zinc/72/19/69/351721969.db2.gz SZXIESCSFKZZMO-MRVPVSSYSA-N 0 0 192.243 1.620 10 0 ADAERN c1ccc(Oc2ncncn2)cc1 113142260 351722737 /nfs/dbraw/zinc/72/27/37/351722737.db2.gz OBXUKZGSGNXPSH-UHFFFAOYSA-N 0 0 173.175 1.664 10 0 ADAERN OCCCC1=CCCC[C@@H]1O 112935085 351722871 /nfs/dbraw/zinc/72/28/71/351722871.db2.gz KDRQYVPUPJAIQX-VIFPVBQESA-N 0 0 156.225 1.230 10 0 ADAERN OCCCC1=CCCC[C@H]1O 112935087 351723085 /nfs/dbraw/zinc/72/30/85/351723085.db2.gz KDRQYVPUPJAIQX-SECBINFHSA-N 0 0 156.225 1.230 10 0 ADAERN C[C@@H]1CSC(=S)O1 114534961 351723854 /nfs/dbraw/zinc/72/38/54/351723854.db2.gz VSGOMBKRIOZCQP-GSVOUGTGSA-N 0 0 134.225 1.423 10 0 ADAERN CC(=O)SCC1CCOCC1 114544786 351724169 /nfs/dbraw/zinc/72/41/69/351724169.db2.gz CWWYVMQGIKQERT-UHFFFAOYSA-N 0 0 174.265 1.693 10 0 ADAERN C[C@H]1CSC(=S)O1 114534963 351724395 /nfs/dbraw/zinc/72/43/95/351724395.db2.gz VSGOMBKRIOZCQP-VKHMYHEASA-N 0 0 134.225 1.423 10 0 ADAERN Cc1ccc2ccc[n+]([O-])c2c1 114528274 351724408 /nfs/dbraw/zinc/72/44/08/351724408.db2.gz ULMCVDAJWJRBFH-UHFFFAOYSA-N 0 0 159.188 1.782 10 0 ADAERN CC(=O)OCCCCCCO 114535740 351724447 /nfs/dbraw/zinc/72/44/47/351724447.db2.gz DGUKYCANAXQEMH-UHFFFAOYSA-N 0 0 160.213 1.102 10 0 ADAERN CC1(C)CCC(=O)OC1 114528503 351724472 /nfs/dbraw/zinc/72/44/72/351724472.db2.gz KCNWLXKETMYSEK-UHFFFAOYSA-N 0 0 128.171 1.350 10 0 ADAERN c1ccc2c(c1)cnn1ccnc21 115984915 351724809 /nfs/dbraw/zinc/72/48/09/351724809.db2.gz AITJQLFTXNAQDB-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN O=Cc1nccn1[C@@H]1CCCO1 115881979 351724915 /nfs/dbraw/zinc/72/49/15/351724915.db2.gz HZQXDDRWTHNAHV-QMMMGPOBSA-N 0 0 166.180 1.005 10 0 ADAERN OC[C@H](O)Cc1ccc(Cl)cc1 116153852 351724959 /nfs/dbraw/zinc/72/49/59/351724959.db2.gz HRKYJXZQZROJJV-SECBINFHSA-N 0 0 186.638 1.236 10 0 ADAERN OC[C@@H](O)Cc1ccc(Cl)cc1 116153849 351725196 /nfs/dbraw/zinc/72/51/96/351725196.db2.gz HRKYJXZQZROJJV-VIFPVBQESA-N 0 0 186.638 1.236 10 0 ADAERN O[C@@H](c1ccnc(Cl)n1)C1CC1 117800768 351725546 /nfs/dbraw/zinc/72/55/46/351725546.db2.gz AKWRZKVACLLEIH-SSDOTTSWSA-N 0 0 184.626 1.573 10 0 ADAERN CCOc1nc[nH]c2cc(=O)ccc1-2 116805450 351725855 /nfs/dbraw/zinc/72/58/55/351725855.db2.gz XTJRVINKXFDBQI-UHFFFAOYSA-N 0 0 190.202 1.734 10 0 ADAERN O[C@H](c1ccnc(Cl)n1)C1CC1 117800766 351726006 /nfs/dbraw/zinc/72/60/06/351726006.db2.gz AKWRZKVACLLEIH-ZETCQYMHSA-N 0 0 184.626 1.573 10 0 ADAERN OCC[C@H]1CCN(c2ccccn2)C1 118154666 351726825 /nfs/dbraw/zinc/72/68/25/351726825.db2.gz LDSBCKYTFBVLEL-SNVBAGLBSA-N 0 0 192.262 1.290 10 0 ADAERN OCC[C@@H]1CCN(c2ccccn2)C1 118154680 351726839 /nfs/dbraw/zinc/72/68/39/351726839.db2.gz LDSBCKYTFBVLEL-JTQLQIEISA-N 0 0 192.262 1.290 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)c1cscn1 122416191 351727413 /nfs/dbraw/zinc/72/74/13/351727413.db2.gz JWKYNRUDHNCYEM-RQJHMYQMSA-N 0 0 196.275 1.529 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)NC1CCC1 122883611 351727686 /nfs/dbraw/zinc/72/76/86/351727686.db2.gz XQLRJAPAKIVNQO-HTQZYQBOSA-N 0 0 182.267 1.494 10 0 ADAERN CCCNC(=O)N[C@@H]1C[C@@H]1C 122325795 351727694 /nfs/dbraw/zinc/72/76/94/351727694.db2.gz RZEUQZWSWMQQRE-NKWVEPMBSA-N 0 0 156.229 1.104 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)NC1CCC1 122884022 351727981 /nfs/dbraw/zinc/72/79/81/351727981.db2.gz XQLRJAPAKIVNQO-SFYZADRCSA-N 0 0 182.267 1.494 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ncccn1 123063759 351728000 /nfs/dbraw/zinc/72/80/00/351728000.db2.gz BAAQOSFDSXUWFT-SFYZADRCSA-N 0 0 163.224 1.545 10 0 ADAERN CCCNC(=O)N[C@@H]1C[C@H]1C 122326256 351728044 /nfs/dbraw/zinc/72/80/44/351728044.db2.gz RZEUQZWSWMQQRE-RNFRBKRXSA-N 0 0 156.229 1.104 10 0 ADAERN CCCNC(=O)N[C@H]1C[C@@H]1C 122326040 351728079 /nfs/dbraw/zinc/72/80/79/351728079.db2.gz RZEUQZWSWMQQRE-BQBZGAKWSA-N 0 0 156.229 1.104 10 0 ADAERN C[C@@H]1CCCCCN1C(=O)N(C)C 123720953 351728546 /nfs/dbraw/zinc/72/85/46/351728546.db2.gz NALPFVLNNRLCMV-SECBINFHSA-N 0 0 184.283 1.933 10 0 ADAERN C[C@@H]1CCN(C(=O)NC2CCC2)C1 125309744 351729558 /nfs/dbraw/zinc/72/95/58/351729558.db2.gz MOJRBYKKCYLEGI-MRVPVSSYSA-N 0 0 182.267 1.590 10 0 ADAERN C[C@@H]1CCN(C(=O)N(C)C)[C@H](C)C1 125481458 351729814 /nfs/dbraw/zinc/72/98/14/351729814.db2.gz FFQWCBRNEWDYGW-RKDXNWHRSA-N 0 0 184.283 1.788 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)NC1CCC1 125288901 351730043 /nfs/dbraw/zinc/73/00/43/351730043.db2.gz WSGBFXLUJZXEOJ-SVRRBLITSA-N 0 0 168.240 1.247 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)NC1CCC1 125289338 351730258 /nfs/dbraw/zinc/73/02/58/351730258.db2.gz WSGBFXLUJZXEOJ-HTRCEHHLSA-N 0 0 168.240 1.247 10 0 ADAERN C[C@@H]1CC[C@H](NCc2ncn(C)n2)C1 128237927 351733641 /nfs/dbraw/zinc/73/36/41/351733641.db2.gz YXYAAMJGTGBXNO-BDAKNGLRSA-N 0 0 194.282 1.093 10 0 ADAERN C[C@@H]1CC[C@@H](NCc2ncn(C)n2)C1 128238344 351734028 /nfs/dbraw/zinc/73/40/28/351734028.db2.gz YXYAAMJGTGBXNO-RKDXNWHRSA-N 0 0 194.282 1.093 10 0 ADAERN CO[C@@H](C)c1nc(N)c(C)s1 131915280 351736844 /nfs/dbraw/zinc/73/68/44/351736844.db2.gz ZTUUVUFJPMCYNO-BYPYZUCNSA-N 0 0 172.253 1.741 10 0 ADAERN CCCc1nc(N)c(C)s1 131917531 351736873 /nfs/dbraw/zinc/73/68/73/351736873.db2.gz QKNCBWVBJXQDKV-UHFFFAOYSA-N 0 0 156.254 1.986 10 0 ADAERN COC(C)(C)c1nc(N)c(C)s1 131915507 351736935 /nfs/dbraw/zinc/73/69/35/351736935.db2.gz VRCIJLBKEOCNNC-UHFFFAOYSA-N 0 0 186.280 1.915 10 0 ADAERN NC(=S)c1cc(F)ccc1NC=O 131915665 351736956 /nfs/dbraw/zinc/73/69/56/351736956.db2.gz AWJKFZRVWQQABR-UHFFFAOYSA-N 0 0 198.222 1.028 10 0 ADAERN Cc1sc(N2CCCC2)nc1N 131917744 351736961 /nfs/dbraw/zinc/73/69/61/351736961.db2.gz VPLUXXWATWWLAH-UHFFFAOYSA-N 0 0 183.280 1.634 10 0 ADAERN CO[C@H](C)c1nc(N)c(C)s1 131915052 351737226 /nfs/dbraw/zinc/73/72/26/351737226.db2.gz ZTUUVUFJPMCYNO-SCSAIBSYSA-N 0 0 172.253 1.741 10 0 ADAERN C[C@@H]1OCC[C@H]1NCc1cscn1 134034181 351737860 /nfs/dbraw/zinc/73/78/60/351737860.db2.gz VXIROZLWWKEVIJ-IONNQARKSA-N 0 0 198.291 1.410 10 0 ADAERN C[C@@H]1OCC[C@@H]1NCc1cscn1 134034588 351738049 /nfs/dbraw/zinc/73/80/49/351738049.db2.gz VXIROZLWWKEVIJ-CBAPKCEASA-N 0 0 198.291 1.410 10 0 ADAERN CN(C)N[C@H]1CCCc2cccnc21 134198752 351738680 /nfs/dbraw/zinc/73/86/80/351738680.db2.gz QRVHQWCREDFAAE-JTQLQIEISA-N 0 0 191.278 1.525 10 0 ADAERN O=C1CCCN(CCCF)C1 134196538 351738559 /nfs/dbraw/zinc/73/85/59/351738559.db2.gz CJJAWDWKHPSXSA-UHFFFAOYSA-N 0 0 159.204 1.011 10 0 ADAERN CN(C)N[C@@H]1CCC(C)(C)C1 134197538 351738592 /nfs/dbraw/zinc/73/85/92/351738592.db2.gz VPJZFSXKGRMMSM-MRVPVSSYSA-N 0 0 156.273 1.631 10 0 ADAERN CN(C)N[C@H]1CCC(C)(C)C1 134197432 351738642 /nfs/dbraw/zinc/73/86/42/351738642.db2.gz VPJZFSXKGRMMSM-QMMMGPOBSA-N 0 0 156.273 1.631 10 0 ADAERN C[C@H](NN(C)C)c1ccoc1 134196209 351738769 /nfs/dbraw/zinc/73/87/69/351738769.db2.gz KNKDTKDGIJLIPA-ZETCQYMHSA-N 0 0 154.213 1.407 10 0 ADAERN CN(C)N[C@@H]1CCCc2cccnc21 134198653 351738802 /nfs/dbraw/zinc/73/88/02/351738802.db2.gz QRVHQWCREDFAAE-SNVBAGLBSA-N 0 0 191.278 1.525 10 0 ADAERN C[C@@H](NN(C)C)c1ccoc1 134196429 351738911 /nfs/dbraw/zinc/73/89/11/351738911.db2.gz KNKDTKDGIJLIPA-SSDOTTSWSA-N 0 0 154.213 1.407 10 0 ADAERN Cc1ccncc1[C@H]1CC(=O)CCO1 135548572 351740312 /nfs/dbraw/zinc/74/03/12/351740312.db2.gz BRQNERUAGADHRX-LLVKDONJSA-N 0 0 191.230 1.811 10 0 ADAERN Cc1ccncc1[C@@H]1CC(=O)CCO1 135548551 351740479 /nfs/dbraw/zinc/74/04/79/351740479.db2.gz BRQNERUAGADHRX-NSHDSACASA-N 0 0 191.230 1.811 10 0 ADAERN OCc1ccnc(-c2ccccn2)c1 135998902 351740501 /nfs/dbraw/zinc/74/05/01/351740501.db2.gz AYEXPGNGCPHGFE-UHFFFAOYSA-N 0 0 186.214 1.636 10 0 ADAERN Cc1ccncc1C1=NNC(=N)CC1 135551604 351740766 /nfs/dbraw/zinc/74/07/66/351740766.db2.gz WBSAQVAOGJMOAP-UHFFFAOYSA-N 0 0 188.234 1.245 10 0 ADAERN Cc1ccncc1[C@@H]1COC(=O)N1 135556790 351740818 /nfs/dbraw/zinc/74/08/18/351740818.db2.gz FNMNQGBMXCILQJ-QMMMGPOBSA-N 0 0 178.191 1.171 10 0 ADAERN Cc1ccncc1-c1cc(CO)on1 135549417 351740851 /nfs/dbraw/zinc/74/08/51/351740851.db2.gz MPUVMHRYESFXPX-UHFFFAOYSA-N 0 0 190.202 1.537 10 0 ADAERN O=C1CNCN1C1CCCCCCC1 138331228 351742533 /nfs/dbraw/zinc/74/25/33/351742533.db2.gz PPKFEYWVSKOUDE-UHFFFAOYSA-N 0 0 196.294 1.489 10 0 ADAERN Cc1cc(=O)cc2[nH][nH]cc1-2 138353322 351742581 /nfs/dbraw/zinc/74/25/81/351742581.db2.gz ODGIEDUSKFHMEY-UHFFFAOYSA-N 0 0 148.165 1.116 10 0 ADAERN CC(Cl)(Cl)[C@@H]1CC(=O)O1 138373045 351742609 /nfs/dbraw/zinc/74/26/09/351742609.db2.gz TUZKWJFJBJMIDF-VKHMYHEASA-N 0 0 169.007 1.496 10 0 ADAERN Cc1nccc2c1ncn2C 138302256 351742627 /nfs/dbraw/zinc/74/26/27/351742627.db2.gz OKRCSGYGXZJJON-UHFFFAOYSA-N 0 0 147.181 1.277 10 0 ADAERN C=CCC[C@@H](C=O)OCOC 138294918 351742654 /nfs/dbraw/zinc/74/26/54/351742654.db2.gz PWBFFOXVMSPYPX-QMMMGPOBSA-N 0 0 158.197 1.141 10 0 ADAERN CC(Cl)(Cl)[C@H]1CC(=O)O1 138373155 351742668 /nfs/dbraw/zinc/74/26/68/351742668.db2.gz TUZKWJFJBJMIDF-GSVOUGTGSA-N 0 0 169.007 1.496 10 0 ADAERN CCC(CC)=C(CC)C(O)(O)O 138322006 351742756 /nfs/dbraw/zinc/74/27/56/351742756.db2.gz XGBUNRLMZIYPHK-UHFFFAOYSA-N 0 0 174.240 1.144 10 0 ADAERN CC[C@H](O)CC(=O)OC(C)C 138330337 351742767 /nfs/dbraw/zinc/74/27/67/351742767.db2.gz UORBPHWGTZBPHC-ZETCQYMHSA-N 0 0 160.213 1.099 10 0 ADAERN CC[C@@H](O)CC(=O)OC(C)C 138330453 351742975 /nfs/dbraw/zinc/74/29/75/351742975.db2.gz UORBPHWGTZBPHC-SSDOTTSWSA-N 0 0 160.213 1.099 10 0 ADAERN CC(C)OC(=O)C(F)F 138380457 351743463 /nfs/dbraw/zinc/74/34/63/351743463.db2.gz YSWLZODWSKQJNC-UHFFFAOYSA-N 0 0 138.113 1.203 10 0 ADAERN CC[C@@H](C)CC(=O)N(C)OC 139134005 351743494 /nfs/dbraw/zinc/74/34/94/351743494.db2.gz FJDIBKHZWMNQJK-SSDOTTSWSA-N 0 0 159.229 1.442 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H]([NH3+])C(=O)[O-] 140466587 351744145 /nfs/dbraw/zinc/74/41/45/351744145.db2.gz QPSHSWLKGUXBDR-GJMOJQLCSA-N 0 0 171.240 1.225 10 0 ADAERN CCCN1CNC2(CCCC2)C1=O 139516227 351744445 /nfs/dbraw/zinc/74/44/45/351744445.db2.gz XINFSXMJBUTDKX-UHFFFAOYSA-N 0 0 182.267 1.099 10 0 ADAERN CCNC(=O)[C@@H]1CCC[C@H]1C 140607414 351744495 /nfs/dbraw/zinc/74/44/95/351744495.db2.gz VAHIGRLRSWRDFC-HTQZYQBOSA-N 0 0 155.241 1.559 10 0 ADAERN CCCN1C(=O)C2(CC2)N[C@@H]1C(C)C 139517813 351744522 /nfs/dbraw/zinc/74/45/22/351744522.db2.gz QPXZJXINNPZPHH-VIFPVBQESA-N 0 0 196.294 1.343 10 0 ADAERN CCCN1C(=O)C2(CC2)N[C@H]1C(C)C 139517666 351744554 /nfs/dbraw/zinc/74/45/54/351744554.db2.gz QPXZJXINNPZPHH-SECBINFHSA-N 0 0 196.294 1.343 10 0 ADAERN CC(C)(C)NC(=O)c1ccnnc1 140851593 351744974 /nfs/dbraw/zinc/74/49/74/351744974.db2.gz DCDDLVAGEMZBME-UHFFFAOYSA-N 0 0 179.223 1.005 10 0 ADAERN Oc1ccc2c(c1)nnn2CC1CC1 141040811 351745153 /nfs/dbraw/zinc/74/51/53/351745153.db2.gz MMIIFIZYZOACNE-UHFFFAOYSA-N 0 0 189.218 1.547 10 0 ADAERN C[C@@](O)(c1ccnc(Cl)n1)C1CC1 141893733 351745633 /nfs/dbraw/zinc/74/56/33/351745633.db2.gz LJUUBKXLFVWYEX-VIFPVBQESA-N 0 0 198.653 1.748 10 0 ADAERN CC(C)(C)OCC(=O)N1CCCCC1 142363914 351746071 /nfs/dbraw/zinc/74/60/71/351746071.db2.gz FCZBBQNSRIMCNR-UHFFFAOYSA-N 0 0 199.294 1.814 10 0 ADAERN CNC(=O)c1ccc(Cl)c(OC)c1 142936260 351746544 /nfs/dbraw/zinc/74/65/44/351746544.db2.gz DODUETAWGUVQTP-UHFFFAOYSA-N 0 0 199.637 1.708 10 0 ADAERN CCOC(=O)[C@H]1CCC[C@@H]1C 143697483 351746686 /nfs/dbraw/zinc/74/66/86/351746686.db2.gz SSASOZYMYBGYJN-YUMQZZPRSA-N 0 0 156.225 1.986 10 0 ADAERN CCOC(=O)[C@@H]1CCC[C@H]1C 143697694 351746694 /nfs/dbraw/zinc/74/66/94/351746694.db2.gz SSASOZYMYBGYJN-HTQZYQBOSA-N 0 0 156.225 1.986 10 0 ADAERN OCC[C@@H](O)c1ccccc1Cl 143561733 351746795 /nfs/dbraw/zinc/74/67/95/351746795.db2.gz FZDSULCYDIFJPE-SECBINFHSA-N 0 0 186.638 1.756 10 0 ADAERN CCOC(=O)[C@@H]1CCC[C@@H]1C 143697329 351746820 /nfs/dbraw/zinc/74/68/20/351746820.db2.gz SSASOZYMYBGYJN-JGVFFNPUSA-N 0 0 156.225 1.986 10 0 ADAERN CC(=O)N[C@@H]1CC2CCC1CC2 142741160 351746827 /nfs/dbraw/zinc/74/68/27/351746827.db2.gz ZCBAGFXZJIHDKF-UDNWOFFPSA-N 0 0 167.252 1.701 10 0 ADAERN CC(=O)N[C@H]1CC2CCC1CC2 142741372 351746962 /nfs/dbraw/zinc/74/69/62/351746962.db2.gz ZCBAGFXZJIHDKF-RTBKNWGFSA-N 0 0 167.252 1.701 10 0 ADAERN O=c1ccn(-c2ccccn2)cc1 144770107 351747693 /nfs/dbraw/zinc/74/76/93/351747693.db2.gz NHNNKBKATLKARF-UHFFFAOYSA-N 0 0 172.187 1.233 10 0 ADAERN CCCc1noc(CC)n1 144298803 351747774 /nfs/dbraw/zinc/74/77/74/351747774.db2.gz UALZQHQSFQIHPA-UHFFFAOYSA-N 0 0 140.186 1.585 10 0 ADAERN C[C@@H]1COc2cccc3[nH]c(=O)n1c23 146000992 351748370 /nfs/dbraw/zinc/74/83/70/351748370.db2.gz KZFGXXFMXUKRAK-ZCFIWIBFSA-N 0 0 190.202 1.283 10 0 ADAERN CC(C)(C)[C@H]1OC[C@@H](CCO)O1 149516033 351749098 /nfs/dbraw/zinc/74/90/98/351749098.db2.gz WLABVSOIDRRKBM-SFYZADRCSA-N 0 0 174.240 1.156 10 0 ADAERN CC(C)(C)[C@H]1OC[C@H](CCO)O1 149515649 351749182 /nfs/dbraw/zinc/74/91/82/351749182.db2.gz WLABVSOIDRRKBM-YUMQZZPRSA-N 0 0 174.240 1.156 10 0 ADAERN CC(C)(C)[C@@H]1OC[C@H](CCO)O1 149515415 351749352 /nfs/dbraw/zinc/74/93/52/351749352.db2.gz WLABVSOIDRRKBM-JGVFFNPUSA-N 0 0 174.240 1.156 10 0 ADAERN O=c1ccn(-c2ccccc2)cc1O 150231905 351749946 /nfs/dbraw/zinc/74/99/46/351749946.db2.gz LOTDBSFZJRXRMX-UHFFFAOYSA-N 0 0 187.198 1.543 10 0 ADAERN OCCc1cc2ccccc2cn1 149940665 351749964 /nfs/dbraw/zinc/74/99/64/351749964.db2.gz OCWVONVWBVXUPE-UHFFFAOYSA-N 0 0 173.215 1.770 10 0 ADAERN O=c1ccn(CC(F)(F)F)cc1 150240911 351750013 /nfs/dbraw/zinc/75/00/13/351750013.db2.gz PUHMSURCUYIQMD-UHFFFAOYSA-N 0 0 177.125 1.411 10 0 ADAERN COc1ccnc(N[C@H](C)C(C)C)n1 157528170 351750704 /nfs/dbraw/zinc/75/07/04/351750704.db2.gz JPIVMJHDFJWPSX-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN COc1ccnc(N[C@@H](C)C(C)C)n1 157528333 351750731 /nfs/dbraw/zinc/75/07/31/351750731.db2.gz JPIVMJHDFJWPSX-QMMMGPOBSA-N 0 0 195.266 1.942 10 0 ADAERN CC[C@@H]1CCN(C(=O)n2ccnc2)C1 158012447 351751690 /nfs/dbraw/zinc/75/16/90/351751690.db2.gz XHKMSZGGYUPLSB-SECBINFHSA-N 0 0 193.250 1.583 10 0 ADAERN C[C@@H]1CNc2cccnc2N[C@@H]1C 158037496 351751735 /nfs/dbraw/zinc/75/17/35/351751735.db2.gz HJZSEWNSJAZKBA-HTQZYQBOSA-N 0 0 177.251 1.944 10 0 ADAERN C[C@H]1CNc2cccnc2N[C@@H]1C 158037622 351751817 /nfs/dbraw/zinc/75/18/17/351751817.db2.gz HJZSEWNSJAZKBA-JGVFFNPUSA-N 0 0 177.251 1.944 10 0 ADAERN C[C@@H]1Nc2ncccc2NC[C@H]1C 158037789 351751842 /nfs/dbraw/zinc/75/18/42/351751842.db2.gz HJZSEWNSJAZKBA-SFYZADRCSA-N 0 0 177.251 1.944 10 0 ADAERN CC[C@H]1CCN(C(=O)n2ccnc2)C1 158012568 351751941 /nfs/dbraw/zinc/75/19/41/351751941.db2.gz XHKMSZGGYUPLSB-VIFPVBQESA-N 0 0 193.250 1.583 10 0 ADAERN CC[C@@H]1CCN(c2cncc(N)n2)C1 158025465 351752004 /nfs/dbraw/zinc/75/20/04/351752004.db2.gz WPJKAMXFLBPIAW-MRVPVSSYSA-N 0 0 192.266 1.295 10 0 ADAERN CC[C@H]1CCN(c2cncc(N)n2)C1 158025604 351752016 /nfs/dbraw/zinc/75/20/16/351752016.db2.gz WPJKAMXFLBPIAW-QMMMGPOBSA-N 0 0 192.266 1.295 10 0 ADAERN C[C@H]1CNc2cccnc2N[C@H]1C 158037930 351752115 /nfs/dbraw/zinc/75/21/15/351752115.db2.gz HJZSEWNSJAZKBA-YUMQZZPRSA-N 0 0 177.251 1.944 10 0 ADAERN C[C@H](Nc1nncs1)[C@@H]1CCOC1 158679734 351753777 /nfs/dbraw/zinc/75/37/77/351753777.db2.gz PLERAKBAMOIXAE-NKWVEPMBSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@H](Nc1nncs1)[C@H]1CCOC1 158680019 351753963 /nfs/dbraw/zinc/75/39/63/351753963.db2.gz PLERAKBAMOIXAE-BQBZGAKWSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@@H](Nc1nncs1)[C@@H]1CCOC1 158679882 351754017 /nfs/dbraw/zinc/75/40/17/351754017.db2.gz PLERAKBAMOIXAE-RNFRBKRXSA-N 0 0 199.279 1.375 10 0 ADAERN C[C@@H](Nc1nncs1)[C@H]1CCOC1 158680174 351754046 /nfs/dbraw/zinc/75/40/46/351754046.db2.gz PLERAKBAMOIXAE-RQJHMYQMSA-N 0 0 199.279 1.375 10 0 ADAERN COC(=O)c1cccc(C=O)c1Cl 159954884 351755372 /nfs/dbraw/zinc/75/53/72/351755372.db2.gz MNTJGCHOUPKTAC-UHFFFAOYSA-N 0 0 198.605 1.939 10 0 ADAERN Cc1cc(N)nc(SC2CC2)n1 160567689 351757335 /nfs/dbraw/zinc/75/73/35/351757335.db2.gz XLYZWHPRZSNVBR-UHFFFAOYSA-N 0 0 181.264 1.622 10 0 ADAERN C[C@H](O)C(C)(C)NC(=O)c1ccco1 161336715 351759206 /nfs/dbraw/zinc/75/92/06/351759206.db2.gz XAEYFJRQQXGPTL-ZETCQYMHSA-N 0 0 197.234 1.169 10 0 ADAERN O[C@H](C1CCC1)[C@@H]1CSCCO1 161336761 351759122 /nfs/dbraw/zinc/75/91/22/351759122.db2.gz BDMUBIYOISMBFA-DTWKUNHWSA-N 0 0 188.292 1.279 10 0 ADAERN O[C@H](C1CCC1)[C@H]1CSCCO1 161337023 351759147 /nfs/dbraw/zinc/75/91/47/351759147.db2.gz BDMUBIYOISMBFA-RKDXNWHRSA-N 0 0 188.292 1.279 10 0 ADAERN Cc1nc(N)nc(-c2occc2C)n1 161337272 351759169 /nfs/dbraw/zinc/75/91/69/351759169.db2.gz OBAAMVWUBNWOSC-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN Cc1ccoc1-c1ncnc(N)n1 161337415 351759174 /nfs/dbraw/zinc/75/91/74/351759174.db2.gz KLEKYEFHXVBPDR-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN O[C@@H](c1ncc[nH]1)C1CCC1 161338989 351759184 /nfs/dbraw/zinc/75/91/84/351759184.db2.gz FLHLHFFIRKRCBQ-SSDOTTSWSA-N 0 0 152.197 1.243 10 0 ADAERN O[C@@H](C1CCC1)[C@H]1CSCCO1 161336886 351759191 /nfs/dbraw/zinc/75/91/91/351759191.db2.gz BDMUBIYOISMBFA-BDAKNGLRSA-N 0 0 188.292 1.279 10 0 ADAERN O[C@@H](C1CCC1)[C@@H]1CSCCO1 161336623 351759202 /nfs/dbraw/zinc/75/92/02/351759202.db2.gz BDMUBIYOISMBFA-IUCAKERBSA-N 0 0 188.292 1.279 10 0 ADAERN Cc1ccoc1-c1nc(C=O)c[nH]1 161338365 351759209 /nfs/dbraw/zinc/75/92/09/351759209.db2.gz GMZKYAGTHSHRHX-UHFFFAOYSA-N 0 0 176.175 1.791 10 0 ADAERN COC(=O)c1nc2[nH]ccc(C)c-2n1 162649912 351760277 /nfs/dbraw/zinc/76/02/77/351760277.db2.gz UAWTVMASMISYOW-UHFFFAOYSA-N 0 0 191.190 1.053 10 0 ADAERN NCC(F)(F)CNc1ccccn1 162661251 351761582 /nfs/dbraw/zinc/76/15/82/351761582.db2.gz QTNWZXJOGLIKRG-UHFFFAOYSA-N 0 0 187.193 1.088 10 0 ADAERN COC(=O)C=C(N)CC(C)C 163573823 351762647 /nfs/dbraw/zinc/76/26/47/351762647.db2.gz UEBSIYVMNDGJOV-ALCCZGGFSA-N 0 0 157.213 1.048 10 0 ADAERN COc1cc(C(C)C)nn1C 164172886 351763162 /nfs/dbraw/zinc/76/31/62/351763162.db2.gz QBXDEUKRJMUKKR-UHFFFAOYSA-N 0 0 154.213 1.552 10 0 ADAERN CC(C)C1(C(N)=O)CCCC1 163974750 351763247 /nfs/dbraw/zinc/76/32/47/351763247.db2.gz GRHBTIXQXDFANK-UHFFFAOYSA-N 0 0 155.241 1.688 10 0 ADAERN CC[C@H](C)NC(=O)OC(C)C 164330065 351764179 /nfs/dbraw/zinc/76/41/79/351764179.db2.gz DJQZGNBRDXMQFL-ZETCQYMHSA-N 0 0 159.229 1.920 10 0 ADAERN CC[C@H](C)CC(=O)NCC1CC(O)C1 164470624 351764250 /nfs/dbraw/zinc/76/42/50/351764250.db2.gz GYJQWJMUCWGFQZ-IDKOKCKLSA-N 0 0 199.294 1.310 10 0 ADAERN COC1CCC(O)(C2CC2)CC1 164315488 351764359 /nfs/dbraw/zinc/76/43/59/351764359.db2.gz XBZRVTXNCWTSTK-UHFFFAOYSA-N 0 0 170.252 1.717 10 0 ADAERN CC[C@@H](C)CC(=O)NCC1CC(O)C1 164470480 351764462 /nfs/dbraw/zinc/76/44/62/351764462.db2.gz GYJQWJMUCWGFQZ-XNWIYYODSA-N 0 0 199.294 1.310 10 0 ADAERN NOC/C=C/c1ccc(F)cc1 164516621 351764477 /nfs/dbraw/zinc/76/44/77/351764477.db2.gz FGFKWFOGLDFDFE-OWOJBTEDSA-N 0 0 167.183 1.729 10 0 ADAERN CC[C@@H](C)NC(=O)OC(C)C 164329934 351764505 /nfs/dbraw/zinc/76/45/05/351764505.db2.gz DJQZGNBRDXMQFL-SSDOTTSWSA-N 0 0 159.229 1.920 10 0 ADAERN COC1CCC(O)(C(C)C)CC1 164310556 351764577 /nfs/dbraw/zinc/76/45/77/351764577.db2.gz GHSKPBRSMPUKHO-UHFFFAOYSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)(C)ONC(=O)N1CCCC1 164596467 351765023 /nfs/dbraw/zinc/76/50/23/351765023.db2.gz UDSZGYUSMSXCJH-UHFFFAOYSA-N 0 0 186.255 1.522 10 0 ADAERN CNS(=O)(=O)C1CCC(C)CC1 164637848 351765907 /nfs/dbraw/zinc/76/59/07/351765907.db2.gz XAQYHLCCWRQYFD-UHFFFAOYSA-N 0 0 191.296 1.114 10 0 ADAERN CCOc1ccnc(Cl)c1N 165185801 351766101 /nfs/dbraw/zinc/76/61/01/351766101.db2.gz WZQDOLOYWHGHMY-UHFFFAOYSA-N 0 0 172.615 1.716 10 0 ADAERN CC1(Nc2nc[n-]c(=O)c2Cl)CC1 165936776 351766827 /nfs/dbraw/zinc/76/68/27/351766827.db2.gz ZJFRRAKOYJEADI-UHFFFAOYSA-N 0 0 199.641 1.388 10 0 ADAERN Cn1cc(C[C@@]2(O)C=CCCC2)cn1 165936040 351766978 /nfs/dbraw/zinc/76/69/78/351766978.db2.gz IOJDVHGQPUGOMK-LLVKDONJSA-N 0 0 192.262 1.434 10 0 ADAERN Cn1cc(C[C@]2(O)C=CCCC2)cn1 165936154 351766982 /nfs/dbraw/zinc/76/69/82/351766982.db2.gz IOJDVHGQPUGOMK-NSHDSACASA-N 0 0 192.262 1.434 10 0 ADAERN C[C@@H]1C=C([C@H]([NH3+])C(=O)[O-])C[C@@H](C)C1 167853093 351768516 /nfs/dbraw/zinc/76/85/16/351768516.db2.gz CTCDAFPMXJOMCZ-ZKWXMUAHSA-N 0 0 183.251 1.391 10 0 ADAERN C[C@@H]1C=C([C@H]([NH3+])C(=O)[O-])C[C@H](C)C1 167852982 351768540 /nfs/dbraw/zinc/76/85/40/351768540.db2.gz CTCDAFPMXJOMCZ-OOZYFLPDSA-N 0 0 183.251 1.391 10 0 ADAERN CCc1nn(C)cc1Cn1cccc1 167978215 351768985 /nfs/dbraw/zinc/76/89/85/351768985.db2.gz OORCWVAWLMPCJF-UHFFFAOYSA-N 0 0 189.262 1.832 10 0 ADAERN C[C@@H]1CCCC[C@@H]1N1CCNC1=O 169072189 351769383 /nfs/dbraw/zinc/76/93/83/351769383.db2.gz ZMIYUSYKPUYRAZ-BDAKNGLRSA-N 0 0 182.267 1.590 10 0 ADAERN C[C@@H]1CCCC[C@H]1N1CCNC1=O 169072347 351769408 /nfs/dbraw/zinc/76/94/08/351769408.db2.gz ZMIYUSYKPUYRAZ-RKDXNWHRSA-N 0 0 182.267 1.590 10 0 ADAERN O=c1cc2c(n[nH]1)-c1ccoc1CC2 169233380 351769524 /nfs/dbraw/zinc/76/95/24/351769524.db2.gz JIGXFURBQVCLEF-UHFFFAOYSA-N 0 0 188.186 1.129 10 0 ADAERN Cc1cnc2ccc(=O)[nH]c2c1 168691079 351769576 /nfs/dbraw/zinc/76/95/76/351769576.db2.gz QZYYIEABHSTSEP-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN c1ccc(-n2nnc3cccnc32)cc1 169320956 351770006 /nfs/dbraw/zinc/77/00/06/351770006.db2.gz ZTCLCDZTMZUVJV-UHFFFAOYSA-N 0 0 196.213 1.816 10 0 ADAERN CSc1cccccc1=O 169404467 351770105 /nfs/dbraw/zinc/77/01/05/351770105.db2.gz RTWVFLZELBILSK-UHFFFAOYSA-N 0 0 152.218 1.769 10 0 ADAERN C[C@@H]1Cc2cccc(C(N)=O)c2O1 169348780 351770148 /nfs/dbraw/zinc/77/01/48/351770148.db2.gz JKXUEKXDADMQFP-ZCFIWIBFSA-N 0 0 177.203 1.109 10 0 ADAERN CC(C)CC(=O)N1CC[C@H](O)C1(C)C 169798678 351771160 /nfs/dbraw/zinc/77/11/60/351771160.db2.gz VJQWLXDKAGWDKQ-VIFPVBQESA-N 0 0 199.294 1.404 10 0 ADAERN O=C(c1cccs1)N1C[C@H]2C[C@H]2C1 169801409 351771211 /nfs/dbraw/zinc/77/12/11/351771211.db2.gz CYHOJUJQMFXNAS-OCAPTIKFSA-N 0 0 193.271 1.840 10 0 ADAERN CC(C)(C)C(=O)N1C[C@H]2C[C@H]2C1 169801354 351771263 /nfs/dbraw/zinc/77/12/63/351771263.db2.gz DDNGAUHIGIGXHF-OCAPTIKFSA-N 0 0 167.252 1.511 10 0 ADAERN CC(C)C(=O)N1CC[C@H](O)C1(C)C 169798722 351771291 /nfs/dbraw/zinc/77/12/91/351771291.db2.gz CEZSOOAMDZQWLP-QMMMGPOBSA-N 0 0 185.267 1.014 10 0 ADAERN CC(C)CC(=O)N1C[C@H]2C[C@H]2C1 169801289 351771342 /nfs/dbraw/zinc/77/13/42/351771342.db2.gz AUBBPMGEMWZLCM-DTORHVGOSA-N 0 0 167.252 1.511 10 0 ADAERN CC(C)(C)C(=O)N1CC[C@H](O)C1(C)C 169798720 351771351 /nfs/dbraw/zinc/77/13/51/351771351.db2.gz YJUNNBFHTBIPAA-QMMMGPOBSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)CC(=O)N1CC[C@@H](O)C1(C)C 169798677 351771430 /nfs/dbraw/zinc/77/14/30/351771430.db2.gz VJQWLXDKAGWDKQ-SECBINFHSA-N 0 0 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C[C@@H]1OCC[C@@H]1C(=O)Cc1ccoc1 229461777 351808486 /nfs/dbraw/zinc/80/84/86/351808486.db2.gz APRBBZLODLKIMA-WPRPVWTQSA-N 0 0 194.230 1.816 10 0 ADAERN CCCC(=O)N1CCC(=O)[C@H](C)C1 229496123 351808527 /nfs/dbraw/zinc/80/85/27/351808527.db2.gz LOZSGUSWMUJIPB-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN CCCCC(=O)N1CCC(=O)[C@@H](C)C1 229497089 351808569 /nfs/dbraw/zinc/80/85/69/351808569.db2.gz ZVRYYWNMGHKQGW-VIFPVBQESA-N 0 0 197.278 1.614 10 0 ADAERN CCCC(=O)N1CCC(=O)[C@@H](C)C1 229496111 351808585 /nfs/dbraw/zinc/80/85/85/351808585.db2.gz LOZSGUSWMUJIPB-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@@H]1CN(C(=O)C(C)(C)C)CCC1=O 229497918 351808611 /nfs/dbraw/zinc/80/86/11/351808611.db2.gz PEUARZJZNDFEDE-MRVPVSSYSA-N 0 0 197.278 1.470 10 0 ADAERN CC[C@H](C)C(=O)N1CCC(=O)[C@@H](C)C1 229498945 351808659 /nfs/dbraw/zinc/80/86/59/351808659.db2.gz JLOVIKRZJJMGTC-IUCAKERBSA-N 0 0 197.278 1.470 10 0 ADAERN CCCCC(=O)N1CCC(=O)[C@H](C)C1 229497104 351808677 /nfs/dbraw/zinc/80/86/77/351808677.db2.gz ZVRYYWNMGHKQGW-SECBINFHSA-N 0 0 197.278 1.614 10 0 ADAERN C[C@H]1OCC[C@@H]1C(=O)Cc1ccoc1 229461788 351808685 /nfs/dbraw/zinc/80/86/85/351808685.db2.gz APRBBZLODLKIMA-SCZZXKLOSA-N 0 0 194.230 1.816 10 0 ADAERN CC[C@@H](C)C(=O)N1CCC(=O)[C@H](C)C1 229498956 351808698 /nfs/dbraw/zinc/80/86/98/351808698.db2.gz JLOVIKRZJJMGTC-RKDXNWHRSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)C(=O)N1CCC(=O)[C@@H](C)C1 229495205 351808709 /nfs/dbraw/zinc/80/87/09/351808709.db2.gz PYQXASKHHKROKF-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)Cc1ccoc1 229461798 351808725 /nfs/dbraw/zinc/80/87/25/351808725.db2.gz APRBBZLODLKIMA-WCBMZHEXSA-N 0 0 194.230 1.816 10 0 ADAERN C[C@H]1CN(C(=O)CC2CC2)CCC1=O 229497970 351808728 /nfs/dbraw/zinc/80/87/28/351808728.db2.gz JUKQQXHAEYVZQU-QMMMGPOBSA-N 0 0 195.262 1.224 10 0 ADAERN C[C@@H]1CN(C(=O)CC2CC2)CCC1=O 229497957 351808751 /nfs/dbraw/zinc/80/87/51/351808751.db2.gz JUKQQXHAEYVZQU-MRVPVSSYSA-N 0 0 195.262 1.224 10 0 ADAERN C[C@H]1OCC[C@H]1C(=O)Cc1ccoc1 229461808 351808815 /nfs/dbraw/zinc/80/88/15/351808815.db2.gz APRBBZLODLKIMA-PSASIEDQSA-N 0 0 194.230 1.816 10 0 ADAERN C[C@@H]1CN(Cc2ccno2)CCC1=O 229511985 351808859 /nfs/dbraw/zinc/80/88/59/351808859.db2.gz LTSOZAZPBAKCOK-MRVPVSSYSA-N 0 0 194.234 1.086 10 0 ADAERN C[C@H]1CN(Cc2ccno2)CCC1=O 229511996 351809676 /nfs/dbraw/zinc/80/96/76/351809676.db2.gz LTSOZAZPBAKCOK-QMMMGPOBSA-N 0 0 194.234 1.086 10 0 ADAERN C[C@H]1CN(CCCF)CCC1=O 229512683 351809725 /nfs/dbraw/zinc/80/97/25/351809725.db2.gz DSICQROVGRKLPC-QMMMGPOBSA-N 0 0 173.231 1.257 10 0 ADAERN C[C@@H]1CN(CCCF)CCC1=O 229512674 351809790 /nfs/dbraw/zinc/80/97/90/351809790.db2.gz DSICQROVGRKLPC-MRVPVSSYSA-N 0 0 173.231 1.257 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)Nc1nc[nH]n1 230170134 351810821 /nfs/dbraw/zinc/81/08/21/351810821.db2.gz TWACGMUXOUJRPL-RNFRBKRXSA-N 0 0 194.238 1.179 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)Nc1nc[nH]n1 230170123 351810899 /nfs/dbraw/zinc/81/08/99/351810899.db2.gz TWACGMUXOUJRPL-RQJHMYQMSA-N 0 0 194.238 1.179 10 0 ADAERN c1nnc(N[C@H]2CCSC2)s1 231357308 351811784 /nfs/dbraw/zinc/81/17/84/351811784.db2.gz NYPYTYANGPMASR-YFKPBYRVSA-N 0 0 187.293 1.456 10 0 ADAERN Nc1ccc(N[C@@H]2CCSC2)cn1 231345056 351811819 /nfs/dbraw/zinc/81/18/19/351811819.db2.gz TZXWXWNMYQGEKI-MRVPVSSYSA-N 0 0 195.291 1.581 10 0 ADAERN Nc1ccc(N[C@@H]2CCSC2)nc1 231345049 351811825 /nfs/dbraw/zinc/81/18/25/351811825.db2.gz MCOSYYHDLOKJRM-MRVPVSSYSA-N 0 0 195.291 1.581 10 0 ADAERN Nc1ccc(N[C@H]2CCSC2)nc1 231345051 351811840 /nfs/dbraw/zinc/81/18/40/351811840.db2.gz MCOSYYHDLOKJRM-QMMMGPOBSA-N 0 0 195.291 1.581 10 0 ADAERN c1nnc(N[C@@H]2CCSC2)s1 231357305 351811855 /nfs/dbraw/zinc/81/18/55/351811855.db2.gz NYPYTYANGPMASR-RXMQYKEDSA-N 0 0 187.293 1.456 10 0 ADAERN Nc1ncccc1N[C@@H]1CCSC1 231345248 351811882 /nfs/dbraw/zinc/81/18/82/351811882.db2.gz SZFSHIXDQZDTEE-SSDOTTSWSA-N 0 0 195.291 1.581 10 0 ADAERN Nc1ccc(N[C@H]2CCSC2)cn1 231345058 351811919 /nfs/dbraw/zinc/81/19/19/351811919.db2.gz TZXWXWNMYQGEKI-QMMMGPOBSA-N 0 0 195.291 1.581 10 0 ADAERN Nc1cccnc1N[C@H]1CCSC1 231344703 351811947 /nfs/dbraw/zinc/81/19/47/351811947.db2.gz IQKCEXWROXXFRK-ZETCQYMHSA-N 0 0 195.291 1.581 10 0 ADAERN Nc1ncccc1N[C@H]1CCSC1 231345252 351811974 /nfs/dbraw/zinc/81/19/74/351811974.db2.gz SZFSHIXDQZDTEE-ZETCQYMHSA-N 0 0 195.291 1.581 10 0 ADAERN Cc1cccc2cc(C(N)=O)[nH]c12 231473886 351812271 /nfs/dbraw/zinc/81/22/71/351812271.db2.gz IIILYZOEJPIZOA-UHFFFAOYSA-N 0 0 174.203 1.575 10 0 ADAERN Cc1ncc([C@@H]2CO2)s1 231483424 351812422 /nfs/dbraw/zinc/81/24/22/351812422.db2.gz SEGMKWRIALAMSM-YFKPBYRVSA-N 0 0 141.195 1.523 10 0 ADAERN Cc1ncc([C@H]2CO2)s1 231483446 351812455 /nfs/dbraw/zinc/81/24/55/351812455.db2.gz SEGMKWRIALAMSM-RXMQYKEDSA-N 0 0 141.195 1.523 10 0 ADAERN NC(=O)C(=O)c1ccc(Cl)s1 231469544 351812475 /nfs/dbraw/zinc/81/24/75/351812475.db2.gz AKXJAKNWGRHIMH-UHFFFAOYSA-N 0 0 189.623 1.070 10 0 ADAERN CC[C@@H]1CC[C@H](C)N(C=O)C1 231481892 351812537 /nfs/dbraw/zinc/81/25/37/351812537.db2.gz RHXGKMIUZXSEFG-DTWKUNHWSA-N 0 0 155.241 1.653 10 0 ADAERN Cc1nnc(Cl)n1Cc1ccno1 231911965 351813250 /nfs/dbraw/zinc/81/32/50/351813250.db2.gz ZMDIXTJCUNIIAA-UHFFFAOYSA-N 0 0 198.613 1.276 10 0 ADAERN Cc1nc(CCn2cccc2)no1 231909826 351813284 /nfs/dbraw/zinc/81/32/84/351813284.db2.gz HZOLWHHHLOHXJE-UHFFFAOYSA-N 0 0 177.207 1.422 10 0 ADAERN Cc1cncc(NC2CC2)c1 232073851 351813978 /nfs/dbraw/zinc/81/39/78/351813978.db2.gz MCQFPJCDXNFEKA-UHFFFAOYSA-N 0 0 148.209 1.964 10 0 ADAERN Cc1cncc(NC[C@@H]2CCCO2)c1 232073491 351813902 /nfs/dbraw/zinc/81/39/02/351813902.db2.gz VKSMWLSNEWEWSH-NSHDSACASA-N 0 0 192.262 1.981 10 0 ADAERN Cc1cc(NC(N)=O)c(C)cc1N 232071802 351813943 /nfs/dbraw/zinc/81/39/43/351813943.db2.gz SOWKRIZBBMFWFH-UHFFFAOYSA-N 0 0 179.223 1.376 10 0 ADAERN C[C@@H]1CC[C@@H](C[C@@H]2CCNC2=O)O1 232069904 351813946 /nfs/dbraw/zinc/81/39/46/351813946.db2.gz LIIZHRVRSFUHNU-VGMNWLOBSA-N 0 0 183.251 1.080 10 0 ADAERN CNC(=O)Nc1cc(C)c(N)cc1C 232071798 351813966 /nfs/dbraw/zinc/81/39/66/351813966.db2.gz QOQULMABRQVHMU-UHFFFAOYSA-N 0 0 193.250 1.637 10 0 ADAERN C[C@@H]1CC[C@H](C[C@@H]2CCNC2=O)O1 232069908 351813975 /nfs/dbraw/zinc/81/39/75/351813975.db2.gz LIIZHRVRSFUHNU-HRDYMLBCSA-N 0 0 183.251 1.080 10 0 ADAERN Cc1cncc(NCc2cnco2)c1 232074229 351814129 /nfs/dbraw/zinc/81/41/29/351814129.db2.gz FPWGBUSGVRJRBE-UHFFFAOYSA-N 0 0 189.218 1.990 10 0 ADAERN Cc1cncc(NC(N)=S)c1 232074354 351814134 /nfs/dbraw/zinc/81/41/34/351814134.db2.gz IUAYGZDSKDRUKF-UHFFFAOYSA-N 0 0 167.237 1.046 10 0 ADAERN c1nnc(NCC[C@H]2CCOC2)s1 232456418 351814886 /nfs/dbraw/zinc/81/48/86/351814886.db2.gz QUDZRAIAJRHCLQ-ZETCQYMHSA-N 0 0 199.279 1.377 10 0 ADAERN C[C@H](N)c1nnc(NC2(C)CCC2)o1 235514098 351816242 /nfs/dbraw/zinc/81/62/42/351816242.db2.gz JOFPOPAVDUIIOC-LURJTMIESA-N 0 0 196.254 1.444 10 0 ADAERN C[C@H](NO)c1cc(O)cc(O)c1 235512281 351816347 /nfs/dbraw/zinc/81/63/47/351816347.db2.gz NPXCSPZXXNLIMV-YFKPBYRVSA-N 0 0 169.180 1.138 10 0 ADAERN C[C@H](NC(=O)C(C)(C)O)c1ccco1 235520375 351816421 /nfs/dbraw/zinc/81/64/21/351816421.db2.gz SJMBHJZPSYMMIY-ZETCQYMHSA-N 0 0 197.234 1.228 10 0 ADAERN C[C@H](N)c1nnc(NC[C@H]2C[C@@H]2C)o1 235515236 351816425 /nfs/dbraw/zinc/81/64/25/351816425.db2.gz AWQQVJZJXPVEJA-LYFYHCNISA-N 0 0 196.254 1.157 10 0 ADAERN C[C@H](N)c1nnc(N[C@H](C)C2CC2)o1 235516414 351816449 /nfs/dbraw/zinc/81/64/49/351816449.db2.gz SSSXFCAYFQWEGA-NTSWFWBYSA-N 0 0 196.254 1.300 10 0 ADAERN C[C@H](N)c1nnc(N[C@@H](C)C2CC2)o1 235515894 351816502 /nfs/dbraw/zinc/81/65/02/351816502.db2.gz SSSXFCAYFQWEGA-WDSKDSINSA-N 0 0 196.254 1.300 10 0 ADAERN C[C@H](N)c1nnc(NC[C@@H]2C[C@@H]2C)o1 235515056 351816631 /nfs/dbraw/zinc/81/66/31/351816631.db2.gz AWQQVJZJXPVEJA-ACZMJKKPSA-N 0 0 196.254 1.157 10 0 ADAERN C[C@H](N)c1nnc(NC2(C)CC2)o1 235514088 351816639 /nfs/dbraw/zinc/81/66/39/351816639.db2.gz PLBOGAPEGWXIPH-YFKPBYRVSA-N 0 0 182.227 1.054 10 0 ADAERN C[C@H](N)c1nnc(NC2CCC2)o1 235514167 351816677 /nfs/dbraw/zinc/81/66/77/351816677.db2.gz UYOPOZZUSANWHI-YFKPBYRVSA-N 0 0 182.227 1.054 10 0 ADAERN C[C@H](NO)c1ccc(O)cc1F 235512373 351816710 /nfs/dbraw/zinc/81/67/10/351816710.db2.gz GXQJXIHDCGYLKJ-YFKPBYRVSA-N 0 0 171.171 1.571 10 0 ADAERN Cc1ccc(NC2(C(N)=O)CC2)cc1 235880696 351817006 /nfs/dbraw/zinc/81/70/06/351817006.db2.gz XUKPRILCFNFSSE-UHFFFAOYSA-N 0 0 190.246 1.425 10 0 ADAERN Cc1cc(-c2nnc(N)o2)ccn1 235881012 351817037 /nfs/dbraw/zinc/81/70/37/351817037.db2.gz KDZYNSXCXNMPHY-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1cc(-c2ncc[nH]c2=O)cs1 235877618 351817060 /nfs/dbraw/zinc/81/70/60/351817060.db2.gz FMNKCQHAOYMFOQ-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1ccc(-c2cc(=O)[nH]cn2)cn1 235881972 351817067 /nfs/dbraw/zinc/81/70/67/351817067.db2.gz JEIYTLABXIYJQK-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN Cc1cc(-c2nc(N)no2)ccn1 235874974 351817096 /nfs/dbraw/zinc/81/70/96/351817096.db2.gz USVRFGABZZCFMT-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cc1cc(C2N=NC(=S)O2)ccn1 235881947 351817109 /nfs/dbraw/zinc/81/71/09/351817109.db2.gz GGTHRWWLSOXBNF-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN Cc1cc(-n2cccn2)c(N)cc1F 235890075 351817137 /nfs/dbraw/zinc/81/71/37/351817137.db2.gz HBDWSBMRQOTQTR-UHFFFAOYSA-N 0 0 191.209 1.902 10 0 ADAERN Cc1cc(F)c(NN)cc1F 235884404 351817169 /nfs/dbraw/zinc/81/71/69/351817169.db2.gz HYSAJICXBADFNU-UHFFFAOYSA-N 0 0 158.151 1.559 10 0 ADAERN Cc1cc(CNCC(F)F)ccn1 235757877 351817208 /nfs/dbraw/zinc/81/72/08/351817208.db2.gz QOOOGUNFJCZGMG-UHFFFAOYSA-N 0 0 186.205 1.745 10 0 ADAERN Cc1cc(-c2nc(N)ns2)ccn1 235875035 351817263 /nfs/dbraw/zinc/81/72/63/351817263.db2.gz ZUAIELIBFIJBFD-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ccc(N[C@@H]2CCOC2)cc1O 235882878 351817274 /nfs/dbraw/zinc/81/72/74/351817274.db2.gz PNQUTWKTQJZFNA-SNVBAGLBSA-N 0 0 193.246 1.901 10 0 ADAERN Cc1ccc(NC2(CO)CC2)cc1 235882148 351817296 /nfs/dbraw/zinc/81/72/96/351817296.db2.gz LQPCIWXAPDJNDI-UHFFFAOYSA-N 0 0 177.247 1.932 10 0 ADAERN Cc1cc2c[nH]c(=O)cc2cc1O 235878281 351817322 /nfs/dbraw/zinc/81/73/22/351817322.db2.gz SDAXXOIBKRWZQB-UHFFFAOYSA-N 0 0 175.187 1.954 10 0 ADAERN Cc1cc(F)c(NCCO)cc1F 235883021 351817347 /nfs/dbraw/zinc/81/73/47/351817347.db2.gz AXVDYPXNEUAUFV-UHFFFAOYSA-N 0 0 187.189 1.677 10 0 ADAERN Cc1cc(C2N=NC(=S)N2)ccn1 235881490 351817479 /nfs/dbraw/zinc/81/74/79/351817479.db2.gz SCUPZKPDVAARSP-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN Cc1ccc(NC2CC2)cn1 235883753 351817524 /nfs/dbraw/zinc/81/75/24/351817524.db2.gz JEHIOEXZNKOFTP-UHFFFAOYSA-N 0 0 148.209 1.964 10 0 ADAERN Cc1ccc(-c2cc(=O)[nH]cn2)s1 235882019 351817574 /nfs/dbraw/zinc/81/75/74/351817574.db2.gz YHZPZSCOLXOSRV-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(F)c(NC(N)=O)cc1F 235879728 351817582 /nfs/dbraw/zinc/81/75/82/351817582.db2.gz UMRLFSQZNHOFLL-UHFFFAOYSA-N 0 0 186.161 1.764 10 0 ADAERN Cc1cc(-c2onc(N)c2C)ccn1 235886326 351817585 /nfs/dbraw/zinc/81/75/85/351817585.db2.gz RIUZCXDZEKZQGZ-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1ccc(NC2COC2)cc1O 235888509 351817586 /nfs/dbraw/zinc/81/75/86/351817586.db2.gz QLAUJQQHYRNXDA-UHFFFAOYSA-N 0 0 179.219 1.511 10 0 ADAERN Cc1ccc(-c2cc[nH]c(=O)n2)s1 235891385 351817806 /nfs/dbraw/zinc/81/78/06/351817806.db2.gz MQKOLVGFQUFLTQ-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(OC2COC2)c(N)cc1F 235898847 351817723 /nfs/dbraw/zinc/81/77/23/351817723.db2.gz KALVXSWJXCNYIJ-UHFFFAOYSA-N 0 0 197.209 1.494 10 0 ADAERN Cc1ccc(F)c([C@H]2CNC(=O)O2)c1 235892093 351817794 /nfs/dbraw/zinc/81/77/94/351817794.db2.gz MEHLZYGNQOTDNS-SECBINFHSA-N 0 0 195.193 1.915 10 0 ADAERN Cc1ccc(N[C@H]2CCOC2)cc1O 235897031 351817800 /nfs/dbraw/zinc/81/78/00/351817800.db2.gz PNQUTWKTQJZFNA-JTQLQIEISA-N 0 0 193.246 1.901 10 0 ADAERN Cc1cccc(-c2n[nH]c(=O)s2)c1 235895023 351817874 /nfs/dbraw/zinc/81/78/74/351817874.db2.gz RQBIEBWRHRMSBK-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN Cc1cc(N)nc([C@@H]2CC2(C)C)n1 235899366 351817990 /nfs/dbraw/zinc/81/79/90/351817990.db2.gz KODCCGAEHQMSCU-ZETCQYMHSA-N 0 0 177.251 1.881 10 0 ADAERN Cc1ccc(F)c([C@H]2CC(=O)N2)c1 235891251 351818137 /nfs/dbraw/zinc/81/81/37/351818137.db2.gz CDAXNKJWCCVOHA-SECBINFHSA-N 0 0 179.194 1.695 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)CCC1=O 238150427 351818482 /nfs/dbraw/zinc/81/84/82/351818482.db2.gz JARIAPLSIPFSCP-MRVPVSSYSA-N 0 0 168.236 1.971 10 0 ADAERN CC(C)OC(=O)c1ccc(N)nc1F 238183740 351818764 /nfs/dbraw/zinc/81/87/64/351818764.db2.gz NXHXAWBPDCLAGE-UHFFFAOYSA-N 0 0 198.197 1.368 10 0 ADAERN CC(=O)c1cn(C(C)C)c(C)n1 238182429 351818777 /nfs/dbraw/zinc/81/87/77/351818777.db2.gz WHJIJWGLHULVFT-UHFFFAOYSA-N 0 0 166.224 1.975 10 0 ADAERN CC(C)c1[nH]c(=O)ccc1C=O 238182114 351818779 /nfs/dbraw/zinc/81/87/79/351818779.db2.gz FRMVPONCVZPDGH-UHFFFAOYSA-N 0 0 165.192 1.723 10 0 ADAERN CC(C)(C)[C@H]1CC(=O)CCC1=O 238182041 351818790 /nfs/dbraw/zinc/81/87/90/351818790.db2.gz JARIAPLSIPFSCP-QMMMGPOBSA-N 0 0 168.236 1.971 10 0 ADAERN CC1=CCC(=O)Nc2n[nH]cc21 238227611 351819088 /nfs/dbraw/zinc/81/90/88/351819088.db2.gz IJLVQKYJJPZMFS-UHFFFAOYSA-N 0 0 163.180 1.155 10 0 ADAERN CCC(=O)[C@@H]1C[C@H]1OC 238227360 351819056 /nfs/dbraw/zinc/81/90/56/351819056.db2.gz PIGABUFJCCYKCC-CAHLUQPWSA-N 0 0 128.171 1.000 10 0 ADAERN CCOC(=O)c1ccc(C)c(O)c1N 238262506 351819379 /nfs/dbraw/zinc/81/93/79/351819379.db2.gz RFSVDDPUFHMKGT-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOc1cc(C=O)cnc1C 238263977 351819416 /nfs/dbraw/zinc/81/94/16/351819416.db2.gz IBEYSXBBYJIGBE-UHFFFAOYSA-N 0 0 165.192 1.601 10 0 ADAERN CCOC(=O)c1ccc(F)c(O)c1N 238263517 351819427 /nfs/dbraw/zinc/81/94/27/351819427.db2.gz RNXPUWPGLFMNDY-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)CCC[C@@H](O)C(C)C 238263648 351819447 /nfs/dbraw/zinc/81/94/47/351819447.db2.gz JYYHLGVZZIVFNC-SECBINFHSA-N 0 0 188.267 1.737 10 0 ADAERN CCOC(=O)CCC[C@H](O)C(C)C 238263877 351819460 /nfs/dbraw/zinc/81/94/60/351819460.db2.gz JYYHLGVZZIVFNC-VIFPVBQESA-N 0 0 188.267 1.737 10 0 ADAERN CCOc1cc(CNN)ccc1OC 238265118 351819476 /nfs/dbraw/zinc/81/94/76/351819476.db2.gz INHYGWXTRIMWSJ-UHFFFAOYSA-N 0 0 196.250 1.057 10 0 ADAERN CCCCc1cccn1CCO 238265980 351819483 /nfs/dbraw/zinc/81/94/83/351819483.db2.gz OXLPOMPVTMVYBA-UHFFFAOYSA-N 0 0 167.252 1.823 10 0 ADAERN CCOC(=O)c1ccc(C)c(N)c1O 238262494 351819504 /nfs/dbraw/zinc/81/95/04/351819504.db2.gz CGLJZGSEBUVZNH-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCNC(=O)c1cccc2c1OCO2 238262266 351819528 /nfs/dbraw/zinc/81/95/28/351819528.db2.gz GHDLHSOSOBGXRX-UHFFFAOYSA-N 0 0 193.202 1.165 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(C)=O 238265625 351819540 /nfs/dbraw/zinc/81/95/40/351819540.db2.gz XOBNPFBPDSZRDM-RNFRBKRXSA-N 0 0 128.171 1.000 10 0 ADAERN CCOC(=O)c1ccc(C)c(OC)n1 238262532 351819671 /nfs/dbraw/zinc/81/96/71/351819671.db2.gz WPTKMKUBHLEXJJ-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCOC(=O)c1ccc(C)nc1F 238262672 351819640 /nfs/dbraw/zinc/81/96/40/351819640.db2.gz YVIYVAQLLHUXMX-UHFFFAOYSA-N 0 0 183.182 1.706 10 0 ADAERN CCOC(=O)[C@H]1CC=CCC1=O 238261574 351819667 /nfs/dbraw/zinc/81/96/67/351819667.db2.gz OEURQYYIHWUXRE-ZETCQYMHSA-N 0 0 168.192 1.085 10 0 ADAERN CCc1cc(=O)cc(OC)o1 238309622 351820077 /nfs/dbraw/zinc/82/00/77/351820077.db2.gz YYSVXEHNLLUPNI-UHFFFAOYSA-N 0 0 154.165 1.211 10 0 ADAERN CN(C)c1c[nH]c(=O)c2ccsc12 238307578 351820092 /nfs/dbraw/zinc/82/00/92/351820092.db2.gz SUJFAGGSTPJQLN-UHFFFAOYSA-N 0 0 194.259 1.656 10 0 ADAERN CCO[C@@H](C)[C@@H]1CCCC1=O 238307848 351820162 /nfs/dbraw/zinc/82/01/62/351820162.db2.gz BDADVEHSXNTWMO-YUMQZZPRSA-N 0 0 156.225 1.781 10 0 ADAERN CNC(=O)[C@@H](C)c1ccc(N)cc1 238307959 351820190 /nfs/dbraw/zinc/82/01/90/351820190.db2.gz XXHVYJDPWDWEFB-ZETCQYMHSA-N 0 0 178.235 1.118 10 0 ADAERN CC[C@H](O)CC(=O)NC1CCCCC1 238306019 351820213 /nfs/dbraw/zinc/82/02/13/351820213.db2.gz HCSZIKMWBWCMTQ-JTQLQIEISA-N 0 0 199.294 1.596 10 0 ADAERN CC[C@H](CNC=O)c1ccccc1 238306528 351820303 /nfs/dbraw/zinc/82/03/03/351820303.db2.gz XFXICYCLKBQOBW-SNVBAGLBSA-N 0 0 177.247 1.926 10 0 ADAERN CCc1cc(C2CC2)[nH]c(=O)n1 238305931 351820322 /nfs/dbraw/zinc/82/03/22/351820322.db2.gz LYPBHXDYESEJPQ-UHFFFAOYSA-N 0 0 164.208 1.622 10 0 ADAERN CN1CC[C@H](CCO)c2ccccc21 238308857 351820409 /nfs/dbraw/zinc/82/04/09/351820409.db2.gz OIWSWQPBSJRXQJ-SNVBAGLBSA-N 0 0 191.274 1.993 10 0 ADAERN COc1ccc(F)c2c([O-])coc12 238349300 351820854 /nfs/dbraw/zinc/82/08/54/351820854.db2.gz NMCPLNYSJYDUBP-UHFFFAOYSA-N 0 0 182.150 1.409 10 0 ADAERN COc1ccc2c(=O)cc[nH]c2c1 238393931 351820893 /nfs/dbraw/zinc/82/08/93/351820893.db2.gz OOESDMFKRWQZMJ-UHFFFAOYSA-N 0 0 175.187 1.984 10 0 ADAERN COc1cnc(F)c(OC)c1 238408926 351821274 /nfs/dbraw/zinc/82/12/74/351821274.db2.gz XTGOCGUBCIKPKZ-UHFFFAOYSA-N 0 0 157.144 1.238 10 0 ADAERN COC(=O)c1ccc2ccnn2c1C 238408145 351821244 /nfs/dbraw/zinc/82/12/44/351821244.db2.gz RXQBJJNGBUYBTG-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN C[C@@H]1CC(=O)CC(C)(C)N1N=O 238408191 351821271 /nfs/dbraw/zinc/82/12/71/351821271.db2.gz CRJYVXFRSIPJNK-ZCFIWIBFSA-N 0 0 170.212 1.500 10 0 ADAERN COc1cnc(F)cc1OC 238409204 351821302 /nfs/dbraw/zinc/82/13/02/351821302.db2.gz DRSIXTSJRDTXSI-UHFFFAOYSA-N 0 0 157.144 1.238 10 0 ADAERN COc1cnc(F)c(F)c1 238408758 351821324 /nfs/dbraw/zinc/82/13/24/351821324.db2.gz WNQPYKRAARMKMB-UHFFFAOYSA-N 0 0 145.108 1.368 10 0 ADAERN COc1cnc(F)cc1C=O 238409023 351821355 /nfs/dbraw/zinc/82/13/55/351821355.db2.gz CVVUICUXBHCXGP-UHFFFAOYSA-N 0 0 155.128 1.042 10 0 ADAERN COc1cnc(F)cc1F 238409151 351821369 /nfs/dbraw/zinc/82/13/69/351821369.db2.gz MJNHBSAHWCELMQ-UHFFFAOYSA-N 0 0 145.108 1.368 10 0 ADAERN COc1cnc(Cl)cc1CO 238407784 351821372 /nfs/dbraw/zinc/82/13/72/351821372.db2.gz FFAPNHWSVSFUPN-UHFFFAOYSA-N 0 0 173.599 1.236 10 0 ADAERN COc1cnc(F)c(Cl)c1 238408722 351821403 /nfs/dbraw/zinc/82/14/03/351821403.db2.gz QNPFHOUTKQHBBW-UHFFFAOYSA-N 0 0 161.563 1.883 10 0 ADAERN COc1cnc(Cl)cc1OC 238407831 351821414 /nfs/dbraw/zinc/82/14/14/351821414.db2.gz PUXYGBGRALYUJP-UHFFFAOYSA-N 0 0 173.599 1.752 10 0 ADAERN C[C@@H](NO)c1ccc(O)c(F)c1 238409853 351821425 /nfs/dbraw/zinc/82/14/25/351821425.db2.gz OAKFBUZMLRXHDZ-RXMQYKEDSA-N 0 0 171.171 1.571 10 0 ADAERN Cc1ccnc(OC(F)(F)F)c1N 238472657 351822015 /nfs/dbraw/zinc/82/20/15/351822015.db2.gz NXZVVNBSIVGRSC-UHFFFAOYSA-N 0 0 192.140 1.871 10 0 ADAERN Cc1cc[nH]c(=O)c1OC(F)(F)F 238472178 351822019 /nfs/dbraw/zinc/82/20/19/351822019.db2.gz ODDHSJORRQPJIL-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN C[C@@](O)(c1ccc[nH]1)C(F)(F)F 238471187 351822023 /nfs/dbraw/zinc/82/20/23/351822023.db2.gz NOYPDVTZQHBFTO-ZCFIWIBFSA-N 0 0 179.141 1.785 10 0 ADAERN Cc1ccc(CO)c(F)n1 238471846 351822031 /nfs/dbraw/zinc/82/20/31/351822031.db2.gz BMOLPLJCAXYMEG-UHFFFAOYSA-N 0 0 141.145 1.021 10 0 ADAERN Cc1cc(=O)c(OC(F)(F)F)c[nH]1 238472254 351822074 /nfs/dbraw/zinc/82/20/74/351822074.db2.gz QJNWLVFWHZHNTA-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN Cc1ncc(O)cc1OC(F)(F)F 238484375 351822319 /nfs/dbraw/zinc/82/23/19/351822319.db2.gz HQTGYFNHDYBADT-UHFFFAOYSA-N 0 0 193.124 1.994 10 0 ADAERN CC(=O)C[C@@H]1C(=O)CCC[C@@H]1C 238484306 351822348 /nfs/dbraw/zinc/82/23/48/351822348.db2.gz KRYMSUNICBBKIJ-CBAPKCEASA-N 0 0 168.236 1.971 10 0 ADAERN Cc1ccc([C@@](C)(O)CCCO)o1 238484175 351822371 /nfs/dbraw/zinc/82/23/71/351822371.db2.gz UHTWIAWHVYTYFS-JTQLQIEISA-N 0 0 184.235 1.568 10 0 ADAERN Cc1cc2c(c(C)c1N)C(=O)CCO2 238484439 351822375 /nfs/dbraw/zinc/82/23/75/351822375.db2.gz CRFOWDIGBTYWIU-UHFFFAOYSA-N 0 0 191.230 1.851 10 0 ADAERN Nc1ncc(C2CC2)cc1F 238615714 351823248 /nfs/dbraw/zinc/82/32/48/351823248.db2.gz JAXORXBIJSEREJ-UHFFFAOYSA-N 0 0 152.172 1.680 10 0 ADAERN O=c1[nH]c(C2CC2)nc2ncccc12 238627747 351823287 /nfs/dbraw/zinc/82/32/87/351823287.db2.gz RTIUBKOTWWNAML-UHFFFAOYSA-N 0 0 187.202 1.196 10 0 ADAERN O=[S@](c1ccccc1)c1ncc[nH]1 238615860 351823289 /nfs/dbraw/zinc/82/32/89/351823289.db2.gz IDWGJILFUIXJDY-CYBMUJFWSA-N 0 0 192.243 1.576 10 0 ADAERN Nc1ccc2c(c1)sc1nncn12 238617063 351823301 /nfs/dbraw/zinc/82/33/01/351823301.db2.gz UFRVMMLHZKFOJX-UHFFFAOYSA-N 0 0 190.231 1.526 10 0 ADAERN OCc1ccnc2cccnc12 238728346 351824275 /nfs/dbraw/zinc/82/42/75/351824275.db2.gz BMPCKYJVDORTKB-UHFFFAOYSA-N 0 0 160.176 1.122 10 0 ADAERN O[C@@H]1C/C(=C/c2ccccc2)CO1 238708381 351824532 /nfs/dbraw/zinc/82/45/32/351824532.db2.gz ZWACNQAOQPARMB-YAEJEKNGSA-N 0 0 176.215 1.809 10 0 ADAERN C[C@@H]1CC[C@@](C)(C(N)=O)C1(C)C 238803519 351824564 /nfs/dbraw/zinc/82/45/64/351824564.db2.gz PWQSVEFGVAGGSM-XCBNKYQSSA-N 0 0 169.268 1.934 10 0 ADAERN O=c1cc(OC(F)(F)F)cc[nH]1 238707673 351824671 /nfs/dbraw/zinc/82/46/71/351824671.db2.gz XAQDTPWOBVWLCV-UHFFFAOYSA-N 0 0 179.097 1.686 10 0 in-vitro ADAERN OC[C@@H]1C[C@H]2CCCC[C@H]2O1 238854992 351825651 /nfs/dbraw/zinc/82/56/51/351825651.db2.gz QAKBGCPVNOIYAO-HRDYMLBCSA-N 0 0 156.225 1.326 10 0 ADAERN O=C(N[C@@H]1CCCOC1)C1CCCC1 238900390 351826521 /nfs/dbraw/zinc/82/65/21/351826521.db2.gz RKZLGEIYHYYYTO-SNVBAGLBSA-N 0 0 197.278 1.472 10 0 ADAERN O=C(N[C@H]1CCCOC1)C1CCCC1 238900389 351826580 /nfs/dbraw/zinc/82/65/80/351826580.db2.gz RKZLGEIYHYYYTO-JTQLQIEISA-N 0 0 197.278 1.472 10 0 ADAERN CC(C)CC(=O)N[C@H]1CCCOC1 238935932 351826609 /nfs/dbraw/zinc/82/66/09/351826609.db2.gz VMSQLLZDTHDOOJ-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN O[C@@H]1C[C@H]2CC[C@@]13CCC[C@H]23 247959014 351830442 /nfs/dbraw/zinc/83/04/42/351830442.db2.gz PAYNACPQMAUXHA-ZYUZMQFOSA-N 0 0 152.237 1.948 10 0 ADAERN O[C@@H]1CC[C@H]2[C@@H]1[C@H]1CCC[C@H]12 248074853 351830980 /nfs/dbraw/zinc/83/09/80/351830980.db2.gz ZJXDTPDTKHSVBH-ZOZBQHSOSA-N 0 0 152.237 1.803 10 0 ADAERN C[C@@H]1CC[C@H](C(C)(C)O)C[C@H]1O 248032662 351830991 /nfs/dbraw/zinc/83/09/91/351830991.db2.gz QTJUHINKPNOAEU-HRDYMLBCSA-N 0 0 172.268 1.554 10 0 ADAERN C[C@@H]1C[N@H+](C)CC[C@H]1CC(=O)[O-] 251857985 351836333 /nfs/dbraw/zinc/83/63/33/351836333.db2.gz SDZGRFMDDCVKBF-SFYZADRCSA-N 0 0 171.240 1.049 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 251778970 351836492 /nfs/dbraw/zinc/83/64/92/351836492.db2.gz VYNUERKMJQJCHF-RKDXNWHRSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H]1C[N@H+](C)CC[C@H]1CC(=O)[O-] 251857987 351836519 /nfs/dbraw/zinc/83/65/19/351836519.db2.gz SDZGRFMDDCVKBF-YUMQZZPRSA-N 0 0 171.240 1.049 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 251778969 351836642 /nfs/dbraw/zinc/83/66/42/351836642.db2.gz VYNUERKMJQJCHF-DTWKUNHWSA-N 0 0 185.267 1.437 10 0 ADAERN CNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252650242 351841183 /nfs/dbraw/zinc/84/11/83/351841183.db2.gz YKIFMOXZYQYWAA-JIGDXULJSA-N 0 0 153.225 1.169 10 0 ADAERN CCCNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252640905 351841326 /nfs/dbraw/zinc/84/13/26/351841326.db2.gz LJAPLPNVPJUXRR-MYJAWHEDSA-N 0 0 181.279 1.949 10 0 ADAERN O[C@@H]1CCN2Cc3ccccc3N[C@H]12 256546322 351848516 /nfs/dbraw/zinc/84/85/16/351848516.db2.gz COZSJNLDVXKSMD-MNOVXSKESA-N 0 0 190.246 1.005 10 0 ADAERN O[C@H]1CCN2Cc3ccccc3N[C@H]12 256546324 351848603 /nfs/dbraw/zinc/84/86/03/351848603.db2.gz COZSJNLDVXKSMD-QWRGUYRKSA-N 0 0 190.246 1.005 10 0 ADAERN CC(=O)N1CCC2(CCCCO2)CC1 257195470 351849164 /nfs/dbraw/zinc/84/91/64/351849164.db2.gz WEDOVJRFJKRLAD-UHFFFAOYSA-N 0 0 197.278 1.568 10 0 ADAERN CCC(=O)Nc1cnc2c(c1)CCC2 257180858 351849218 /nfs/dbraw/zinc/84/92/18/351849218.db2.gz DXPBUVAZFCERLM-UHFFFAOYSA-N 0 0 190.246 1.919 10 0 ADAERN NCC(=O)c1sccc1F 257777166 351850163 /nfs/dbraw/zinc/85/01/63/351850163.db2.gz ZVDBEAIIDWBDQN-UHFFFAOYSA-N 0 0 159.185 1.029 10 0 ADAERN Nc1cnc(C(F)(F)F)c(N)c1 257814508 351850721 /nfs/dbraw/zinc/85/07/21/351850721.db2.gz CJNYQFDUDJNKFN-UHFFFAOYSA-N 0 0 177.129 1.265 10 0 ADAERN OCC1(c2cccc(O)c2)CCC1 257814590 351850828 /nfs/dbraw/zinc/85/08/28/351850828.db2.gz CNYBRYPUPVDDDF-UHFFFAOYSA-N 0 0 178.231 1.806 10 0 ADAERN Nc1c[nH]c(=O)cc1C(F)(F)F 257819524 351851100 /nfs/dbraw/zinc/85/11/00/351851100.db2.gz FIBUHVFQQVQKCV-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN Nc1nc2c(s1)CC(F)(F)CC2 257820079 351851160 /nfs/dbraw/zinc/85/11/60/351851160.db2.gz FPPLOQTXSBORAK-UHFFFAOYSA-N 0 0 190.218 1.849 10 0 ADAERN C[C@@]1([C@@H]2CCCCO2)CNC(=O)C1 257891272 351853982 /nfs/dbraw/zinc/85/39/82/351853982.db2.gz NNGIQMMODLWMCH-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN OCC1(c2cccc(O)c2)CC1 257822329 351851322 /nfs/dbraw/zinc/85/13/22/351851322.db2.gz FHYRHWRMSDIZHD-UHFFFAOYSA-N 0 0 164.204 1.416 10 0 ADAERN CC(=O)CCC1(O)CCC1 257893085 351853984 /nfs/dbraw/zinc/85/39/84/351853984.db2.gz GUKMDAODDLZSSO-UHFFFAOYSA-N 0 0 142.198 1.271 10 0 ADAERN Cc1cccc([C@@H]2CC(=O)NN2)c1 257831858 351851793 /nfs/dbraw/zinc/85/17/93/351851793.db2.gz JTPFYSWHSSLSRH-VIFPVBQESA-N 0 0 176.219 1.061 10 0 ADAERN Cc1cccc([C@H]2CC(=O)NN2)c1 257831856 351851888 /nfs/dbraw/zinc/85/18/88/351851888.db2.gz JTPFYSWHSSLSRH-SECBINFHSA-N 0 0 176.219 1.061 10 0 ADAERN CC(C)c1c(N)nnn1C1CCC1 257833615 351851920 /nfs/dbraw/zinc/85/19/20/351851920.db2.gz KJMAMRCMZRASPT-UHFFFAOYSA-N 0 0 180.255 1.709 10 0 ADAERN CN[C@@H](C)C(C)(F)F 257844570 351852532 /nfs/dbraw/zinc/85/25/32/351852532.db2.gz PPPBECBEQMTIME-BYPYZUCNSA-N 0 0 123.146 1.250 10 0 ADAERN CC[N@@H+]1CCCC[C@H]1c1cc(N)n[nH]1 257847212 351852595 /nfs/dbraw/zinc/85/25/95/351852595.db2.gz AMUIZSOLNMDZAU-VIFPVBQESA-N 0 0 194.282 1.539 10 0 ADAERN CN[C@H](C)C(C)(F)F 257844571 351852750 /nfs/dbraw/zinc/85/27/50/351852750.db2.gz PPPBECBEQMTIME-SCSAIBSYSA-N 0 0 123.146 1.250 10 0 ADAERN C[C@@]1(c2nnc(C=O)s2)CCCO1 257841372 351852826 /nfs/dbraw/zinc/85/28/26/351852826.db2.gz BTELIAQSINIDIP-QMMMGPOBSA-N 0 0 198.247 1.376 10 0 ADAERN O=Cc1nnc([C@H]2CCCCO2)s1 257840741 351852845 /nfs/dbraw/zinc/85/28/45/351852845.db2.gz BRBHWTDBHYOAIR-ZCFIWIBFSA-N 0 0 198.247 1.592 10 0 ADAERN C[C@]1(c2nnc(C=O)s2)CCCO1 257841371 351852856 /nfs/dbraw/zinc/85/28/56/351852856.db2.gz BTELIAQSINIDIP-MRVPVSSYSA-N 0 0 198.247 1.376 10 0 ADAERN O=Cc1nnc([C@@H]2CCCCO2)s1 257840740 351852895 /nfs/dbraw/zinc/85/28/95/351852895.db2.gz BRBHWTDBHYOAIR-LURJTMIESA-N 0 0 198.247 1.592 10 0 ADAERN CC[N@@H+]1CCCC[C@@H]1c1cc(N)n[nH]1 257847210 351852934 /nfs/dbraw/zinc/85/29/34/351852934.db2.gz AMUIZSOLNMDZAU-SECBINFHSA-N 0 0 194.282 1.539 10 0 ADAERN Cc1[n-]n(C(C)(C)C)c(=O)c1C[NH3+] 257855805 351853104 /nfs/dbraw/zinc/85/31/04/351853104.db2.gz FVCLLKWELAWOQK-UHFFFAOYSA-N 0 0 183.255 1.111 10 0 ADAERN COc1cc(C=O)c(F)c(F)c1F 257863823 351853192 /nfs/dbraw/zinc/85/31/92/351853192.db2.gz RPVCMQWOKFYJJV-UHFFFAOYSA-N 0 0 190.120 1.925 10 0 ADAERN Oc1ccccc1OCc1ncc[nH]1 257870822 351853231 /nfs/dbraw/zinc/85/32/31/351853231.db2.gz HZCDGDQSTCPMKM-UHFFFAOYSA-N 0 0 190.202 1.694 10 0 ADAERN OCC1(c2ccc(F)c(F)c2)CC1 257857328 351853253 /nfs/dbraw/zinc/85/32/53/351853253.db2.gz UJZOAMBNDISYSA-UHFFFAOYSA-N 0 0 184.185 1.989 10 0 ADAERN Clc1ccnc(CN2CCCC2)n1 257866498 351853341 /nfs/dbraw/zinc/85/33/41/351853341.db2.gz SCPHSPYSSRLNKU-UHFFFAOYSA-N 0 0 197.669 1.726 10 0 ADAERN C[C@]1([C@H]2CCCCO2)CNC(=O)C1 257891264 351853899 /nfs/dbraw/zinc/85/38/99/351853899.db2.gz NNGIQMMODLWMCH-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@]1([C@@H]2CCCCO2)CNC(=O)C1 257891269 351853965 /nfs/dbraw/zinc/85/39/65/351853965.db2.gz NNGIQMMODLWMCH-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN CC(=O)c1cnn([C@@H]2CCSC2)c1 257900311 351853975 /nfs/dbraw/zinc/85/39/75/351853975.db2.gz YQCLMYXFIJRCBY-SECBINFHSA-N 0 0 196.275 1.764 10 0 ADAERN Cc1c[nH]c(N2CCCC2)n1 257888908 351854027 /nfs/dbraw/zinc/85/40/27/351854027.db2.gz LUUHIUSWPASYAQ-UHFFFAOYSA-N 0 0 151.213 1.318 10 0 ADAERN CC(=O)c1cnn([C@H]2CCSC2)c1 257900314 351854034 /nfs/dbraw/zinc/85/40/34/351854034.db2.gz YQCLMYXFIJRCBY-VIFPVBQESA-N 0 0 196.275 1.764 10 0 ADAERN CN1CCC[C@H]1c1nc(C=O)cs1 257881523 351854064 /nfs/dbraw/zinc/85/40/64/351854064.db2.gz AJSHCMRRFBBRBW-QMMMGPOBSA-N 0 0 196.275 1.722 10 0 ADAERN CN1CCC[C@@H]1c1nc(C=O)cs1 257881520 351854111 /nfs/dbraw/zinc/85/41/11/351854111.db2.gz AJSHCMRRFBBRBW-MRVPVSSYSA-N 0 0 196.275 1.722 10 0 ADAERN CCn1cc(Br)nc1N 257878654 351854223 /nfs/dbraw/zinc/85/42/23/351854223.db2.gz JPKJZLZAIYLTKN-UHFFFAOYSA-N 0 0 190.044 1.248 10 0 ADAERN C[C@@]1([C@H]2CCCCO2)CNC(=O)C1 257891266 351854308 /nfs/dbraw/zinc/85/43/08/351854308.db2.gz NNGIQMMODLWMCH-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN Nc1cccc(C2(CO)CCC2)c1 257891198 351854347 /nfs/dbraw/zinc/85/43/47/351854347.db2.gz NLRYCCVJBPBCPH-UHFFFAOYSA-N 0 0 177.247 1.683 10 0 ADAERN Clc1nccc(CN2CCCC2)n1 257893885 351854354 /nfs/dbraw/zinc/85/43/54/351854354.db2.gz XQYVBPFHLBYEKT-UHFFFAOYSA-N 0 0 197.669 1.726 10 0 ADAERN COc1ccc2nc(C=O)cn2c1 257916962 351854649 /nfs/dbraw/zinc/85/46/49/351854649.db2.gz QZPJPUASHGYBQX-UHFFFAOYSA-N 0 0 176.175 1.155 10 0 ADAERN Nc1cc(C(F)(F)F)c(N)cn1 257911519 351854652 /nfs/dbraw/zinc/85/46/52/351854652.db2.gz QJCVGBLSGNSYAI-UHFFFAOYSA-N 0 0 177.129 1.265 10 0 ADAERN COC(=O)[C@H]1CCc2c(O)cccc21 257906227 351854689 /nfs/dbraw/zinc/85/46/89/351854689.db2.gz ZNDKIVHJQYRVKX-VIFPVBQESA-N 0 0 192.214 1.595 10 0 ADAERN CC(C)OCc1nc(N)cs1 257908188 351854702 /nfs/dbraw/zinc/85/47/02/351854702.db2.gz PLBIZDMCGCFDGU-UHFFFAOYSA-N 0 0 172.253 1.650 10 0 ADAERN CCn1ccnc1N1CCCC1 257918218 351854745 /nfs/dbraw/zinc/85/47/45/351854745.db2.gz QVSUMDUDIWROGR-UHFFFAOYSA-N 0 0 165.240 1.503 10 0 ADAERN Nc1nnn(C2CCC2)c1C1CC1 257907720 351854753 /nfs/dbraw/zinc/85/47/53/351854753.db2.gz PXXPICPAFNRWFV-UHFFFAOYSA-N 0 0 178.239 1.463 10 0 ADAERN COC(=O)[C@@H]1CCc2c(O)cccc21 257906225 351854766 /nfs/dbraw/zinc/85/47/66/351854766.db2.gz ZNDKIVHJQYRVKX-SECBINFHSA-N 0 0 192.214 1.595 10 0 ADAERN Cc1cc(C=O)c(C#N)cc1F 257909917 351854803 /nfs/dbraw/zinc/85/48/03/351854803.db2.gz AMZVRLCLUNGVHO-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN Cc1c[nH]c(N2CCCCC2)n1 257911728 351854865 /nfs/dbraw/zinc/85/48/65/351854865.db2.gz PVUXLGAVNJIBAI-UHFFFAOYSA-N 0 0 165.240 1.708 10 0 ADAERN O=C1C[C@@H](C2CCCCCC2)NN1 257910013 351854911 /nfs/dbraw/zinc/85/49/11/351854911.db2.gz QCSFVYLWUAUYNK-VIFPVBQESA-N 0 0 182.267 1.350 10 0 ADAERN O=C1C[C@H](C2CCCCCC2)NN1 257910008 351854988 /nfs/dbraw/zinc/85/49/88/351854988.db2.gz QCSFVYLWUAUYNK-SECBINFHSA-N 0 0 182.267 1.350 10 0 ADAERN C[C@@H](O)c1cccc(F)c1N 257932864 351855318 /nfs/dbraw/zinc/85/53/18/351855318.db2.gz AWWIAUUVCOPUML-RXMQYKEDSA-N 0 0 155.172 1.461 10 0 ADAERN CCn1ccnc1CSC 257939973 351855387 /nfs/dbraw/zinc/85/53/87/351855387.db2.gz VEGCNPWLGPTMHW-UHFFFAOYSA-N 0 0 156.254 1.766 10 0 ADAERN CC(=O)c1nc([C@@H]2CCSC2)no1 257920626 351855419 /nfs/dbraw/zinc/85/54/19/351855419.db2.gz GFMHONKZIGNDFO-ZCFIWIBFSA-N 0 0 198.247 1.493 10 0 ADAERN Nc1c(F)cccc1[C@H](O)C1CC1 257920863 351855443 /nfs/dbraw/zinc/85/54/43/351855443.db2.gz RKGUKTDGQWSUHD-SNVBAGLBSA-N 0 0 181.210 1.851 10 0 ADAERN Nc1c(F)cccc1[C@@H](O)C1CC1 257920861 351855491 /nfs/dbraw/zinc/85/54/91/351855491.db2.gz RKGUKTDGQWSUHD-JTQLQIEISA-N 0 0 181.210 1.851 10 0 ADAERN C[C@H](O)c1cccc(F)c1N 257932884 351855511 /nfs/dbraw/zinc/85/55/11/351855511.db2.gz AWWIAUUVCOPUML-YFKPBYRVSA-N 0 0 155.172 1.461 10 0 ADAERN CC(=O)c1nc([C@H]2CCSC2)no1 257920624 351855523 /nfs/dbraw/zinc/85/55/23/351855523.db2.gz GFMHONKZIGNDFO-LURJTMIESA-N 0 0 198.247 1.493 10 0 ADAERN Nc1cc(C(F)(F)F)[nH]c(=O)c1 257928052 351855528 /nfs/dbraw/zinc/85/55/28/351855528.db2.gz SKRNLAWDOJHGLY-UHFFFAOYSA-N 0 0 178.113 1.388 10 0 ADAERN Cc1coc(N2CCCCC2)n1 257939898 351855570 /nfs/dbraw/zinc/85/55/70/351855570.db2.gz VCHNZAKNHODGIX-UHFFFAOYSA-N 0 0 166.224 1.973 10 0 ADAERN COc1c(F)ccc(F)c1CCO 257962500 351855981 /nfs/dbraw/zinc/85/59/81/351855981.db2.gz BWVDBKDWDSIALN-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN O=C1CCCN([C@@H]2CCSC2)C1 257969318 351856057 /nfs/dbraw/zinc/85/60/57/351856057.db2.gz YJVUGTDIRNIWSC-MRVPVSSYSA-N 0 0 185.292 1.157 10 0 ADAERN CC(=O)c1ccnn1[C@@H]1CCOC1 257950490 351856067 /nfs/dbraw/zinc/85/60/67/351856067.db2.gz WCTVQOUITNKMHW-MRVPVSSYSA-N 0 0 180.207 1.047 10 0 ADAERN O=C1CCCN([C@H]2CCSC2)C1 257969320 351856078 /nfs/dbraw/zinc/85/60/78/351856078.db2.gz YJVUGTDIRNIWSC-QMMMGPOBSA-N 0 0 185.292 1.157 10 0 ADAERN OCC[C@@H]1COc2ccc(F)cc21 257960675 351856169 /nfs/dbraw/zinc/85/61/69/351856169.db2.gz FTYMXMWMMXMDBB-SSDOTTSWSA-N 0 0 182.194 1.684 10 0 ADAERN OCC[C@H]1COc2ccc(F)cc21 257960679 351856268 /nfs/dbraw/zinc/85/62/68/351856268.db2.gz FTYMXMWMMXMDBB-ZETCQYMHSA-N 0 0 182.194 1.684 10 0 ADAERN CC(=O)c1ccnn1[C@H]1CCOC1 257950492 351856371 /nfs/dbraw/zinc/85/63/71/351856371.db2.gz WCTVQOUITNKMHW-QMMMGPOBSA-N 0 0 180.207 1.047 10 0 ADAERN O=Cc1nc([C@H]2CCCCO2)no1 257992488 351856521 /nfs/dbraw/zinc/85/65/21/351856521.db2.gz LPLJXCMFWCURRP-ZCFIWIBFSA-N 0 0 182.179 1.124 10 0 ADAERN COc1c(C(C)=O)ccc(F)c1O 257974935 351856580 /nfs/dbraw/zinc/85/65/80/351856580.db2.gz DEOWINPONSRFGE-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN O=Cc1nc([C@@H]2CCCCO2)no1 257992486 351856599 /nfs/dbraw/zinc/85/65/99/351856599.db2.gz LPLJXCMFWCURRP-LURJTMIESA-N 0 0 182.179 1.124 10 0 ADAERN Cc1cc(O)cc(CCO)c1 257982699 351856615 /nfs/dbraw/zinc/85/66/15/351856615.db2.gz JVCVSLJHCNDOQW-UHFFFAOYSA-N 0 0 152.193 1.235 10 0 ADAERN CC(C)(c1nnc(N)o1)C(F)(F)F 257984155 351856668 /nfs/dbraw/zinc/85/66/68/351856668.db2.gz DVGWAYLCZBHZOM-UHFFFAOYSA-N 0 0 195.144 1.492 10 0 ADAERN COc1cc(F)c(F)c(C=O)c1F 257991302 351856737 /nfs/dbraw/zinc/85/67/37/351856737.db2.gz KTEQXYIJWCUSEI-UHFFFAOYSA-N 0 0 190.120 1.925 10 0 ADAERN Cc1ccc2c(c1)[C@H](CCO)CO2 257976191 351856827 /nfs/dbraw/zinc/85/68/27/351856827.db2.gz GVUPPAGDIVZDCV-SECBINFHSA-N 0 0 178.231 1.853 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CCO)CO2 257976195 351856839 /nfs/dbraw/zinc/85/68/39/351856839.db2.gz GVUPPAGDIVZDCV-VIFPVBQESA-N 0 0 178.231 1.853 10 0 ADAERN COc1c(F)cc(F)c(F)c1C=O 257986464 351856850 /nfs/dbraw/zinc/85/68/50/351856850.db2.gz KDFWWKBVQHWVFK-UHFFFAOYSA-N 0 0 190.120 1.925 10 0 ADAERN COc1cc(CO)cc(C)c1C 257976125 351856913 /nfs/dbraw/zinc/85/69/13/351856913.db2.gz JBKZIVBIUPKVQL-UHFFFAOYSA-N 0 0 166.220 1.804 10 0 ADAERN O=Cc1nnc(C2CCOCC2)s1 257986482 351856918 /nfs/dbraw/zinc/85/69/18/351856918.db2.gz DYQLAUDUTNPOSR-UHFFFAOYSA-N 0 0 198.247 1.245 10 0 ADAERN Cc1ccc(-c2noc(C=O)n2)s1 257979854 351856975 /nfs/dbraw/zinc/85/69/75/351856975.db2.gz KVAXOAVBIUYLCB-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN COc1cc(F)c(F)c(CO)c1F 258039395 351858057 /nfs/dbraw/zinc/85/80/57/351858057.db2.gz JTQUOIVCLNSIBO-UHFFFAOYSA-N 0 0 192.136 1.605 10 0 ADAERN Nc1ncn(-c2cccc(Cl)c2)n1 258042281 351858167 /nfs/dbraw/zinc/85/81/67/351858167.db2.gz JHNWFGQLSBCXMT-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN COc1cc(F)cc(CNO)c1 258064179 351858226 /nfs/dbraw/zinc/85/82/26/351858226.db2.gz SWLNEFANUWKBDW-UHFFFAOYSA-N 0 0 171.171 1.313 10 0 ADAERN C[C@@H](O)CN1CCNc2ccccc21 258065680 351858311 /nfs/dbraw/zinc/85/83/11/351858311.db2.gz IIOCAADOWJEBTB-SECBINFHSA-N 0 0 192.262 1.299 10 0 ADAERN C[C@H](O)CN1CCNc2ccccc21 258065683 351858337 /nfs/dbraw/zinc/85/83/37/351858337.db2.gz IIOCAADOWJEBTB-VIFPVBQESA-N 0 0 192.262 1.299 10 0 ADAERN C[C@H](O)c1ccc2c(c1)OCC2 258044466 351858411 /nfs/dbraw/zinc/85/84/11/351858411.db2.gz QNHGESFFWUOBII-ZETCQYMHSA-N 0 0 164.204 1.675 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)OCC2 258044465 351858459 /nfs/dbraw/zinc/85/84/59/351858459.db2.gz QNHGESFFWUOBII-SSDOTTSWSA-N 0 0 164.204 1.675 10 0 ADAERN O=C([O-])c1c[nH]c([C@H]2CCSC2)n1 258080921 351858722 /nfs/dbraw/zinc/85/87/22/351858722.db2.gz MHYFXRYEPLKVLA-YFKPBYRVSA-N 0 0 198.247 1.328 10 0 ADAERN O=C([O-])c1c[nH]c([C@@H]2CCSC2)n1 258080918 351858773 /nfs/dbraw/zinc/85/87/73/351858773.db2.gz MHYFXRYEPLKVLA-RXMQYKEDSA-N 0 0 198.247 1.328 10 0 ADAERN Cc1cc(C#N)c(C=O)cc1C 258107836 351858861 /nfs/dbraw/zinc/85/88/61/351858861.db2.gz YOTXRXRLRHJKAE-UHFFFAOYSA-N 0 0 159.188 1.988 10 0 ADAERN COc1cc(F)cc(OC)c1CO 258103755 351858905 /nfs/dbraw/zinc/85/89/05/351858905.db2.gz PBCJVNVEFSCBJT-UHFFFAOYSA-N 0 0 186.182 1.335 10 0 ADAERN COc1cc(F)c(O)cc1C(C)=O 258106267 351859059 /nfs/dbraw/zinc/85/90/59/351859059.db2.gz PECGVMRXENCLPN-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN Cc1ccc(-c2noc(CO)n2)s1 258088371 351859111 /nfs/dbraw/zinc/85/91/11/351859111.db2.gz RKBPMTSAWDPINU-UHFFFAOYSA-N 0 0 196.231 1.599 10 0 ADAERN Cc1cc(C#N)c(C=O)cc1F 258095871 351859179 /nfs/dbraw/zinc/85/91/79/351859179.db2.gz XFRCQJUTQGMDRB-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN COc1cc(F)cc(O)c1C(C)=O 258133630 351859859 /nfs/dbraw/zinc/85/98/59/351859859.db2.gz RPSXOEPRRNOANU-UHFFFAOYSA-N 0 0 184.166 1.743 10 0 ADAERN CN1CCC[C@@H]1c1ncc(C=O)s1 258130972 351859552 /nfs/dbraw/zinc/85/95/52/351859552.db2.gz PFZFYUMWJCTDQW-MRVPVSSYSA-N 0 0 196.275 1.722 10 0 ADAERN C[C@@H](O)CN1CCOc2ccccc21 258160538 351859603 /nfs/dbraw/zinc/85/96/03/351859603.db2.gz NNHAGTMCJABCOV-SECBINFHSA-N 0 0 193.246 1.266 10 0 ADAERN C[C@H](O)CN1CCOc2ccccc21 258160544 351859671 /nfs/dbraw/zinc/85/96/71/351859671.db2.gz NNHAGTMCJABCOV-VIFPVBQESA-N 0 0 193.246 1.266 10 0 ADAERN CCc1cc(CO)c(OC)cc1F 258160686 351859681 /nfs/dbraw/zinc/85/96/81/351859681.db2.gz VBOSHDMTRYQRGA-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN C[C@@H](N)c1nc([C@H]2CCSC2)no1 258126831 351859741 /nfs/dbraw/zinc/85/97/41/351859741.db2.gz ULJYMWXWFMEESU-RITPCOANSA-N 0 0 199.279 1.310 10 0 ADAERN O=Cc1nc(C2CCSCC2)no1 258140294 351859820 /nfs/dbraw/zinc/85/98/20/351859820.db2.gz VISSGNUNCIGBEK-UHFFFAOYSA-N 0 0 198.247 1.493 10 0 ADAERN CN1CCC[C@H]1c1ncc(C=O)s1 258130977 351859844 /nfs/dbraw/zinc/85/98/44/351859844.db2.gz PFZFYUMWJCTDQW-QMMMGPOBSA-N 0 0 196.275 1.722 10 0 ADAERN C[C@@H](N)c1nc([C@@H]2CCSC2)no1 258126827 351859920 /nfs/dbraw/zinc/85/99/20/351859920.db2.gz ULJYMWXWFMEESU-PHDIDXHHSA-N 0 0 199.279 1.310 10 0 ADAERN Cc1ccc([C@H]2CNC(=O)CO2)s1 258176488 351860277 /nfs/dbraw/zinc/86/02/77/351860277.db2.gz FBVTYGJJSMWDJB-SSDOTTSWSA-N 0 0 197.259 1.244 10 0 ADAERN NCc1nnc(C2CCSCC2)o1 258204909 351860365 /nfs/dbraw/zinc/86/03/65/351860365.db2.gz XAZZQLFJVQVXDL-UHFFFAOYSA-N 0 0 199.279 1.139 10 0 ADAERN CC(C)(C)C[C@]1(C)CNC(=O)CO1 258190171 351860382 /nfs/dbraw/zinc/86/03/82/351860382.db2.gz FLACQZKTCRLJMZ-SNVBAGLBSA-N 0 0 185.267 1.328 10 0 ADAERN Cc1ccc(-c2noc(N)n2)s1 258181938 351860428 /nfs/dbraw/zinc/86/04/28/351860428.db2.gz YCKCEXRDTZQHTM-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN COc1cc(O)cc(C(C)=O)c1OC 258173824 351860486 /nfs/dbraw/zinc/86/04/86/351860486.db2.gz WCGIWXTZVUTBQP-UHFFFAOYSA-N 0 0 196.202 1.612 10 0 ADAERN CC(C)(C)C[C@@]1(C)CNC(=O)CO1 258190169 351860583 /nfs/dbraw/zinc/86/05/83/351860583.db2.gz FLACQZKTCRLJMZ-JTQLQIEISA-N 0 0 185.267 1.328 10 0 ADAERN O=Cc1nc([C@H]2CCSC2)no1 258174052 351860688 /nfs/dbraw/zinc/86/06/88/351860688.db2.gz XRLGAPFKQXPWKK-YFKPBYRVSA-N 0 0 184.220 1.103 10 0 ADAERN O=Cc1nc([C@@H]2CCSC2)no1 258174051 351860721 /nfs/dbraw/zinc/86/07/21/351860721.db2.gz XRLGAPFKQXPWKK-RXMQYKEDSA-N 0 0 184.220 1.103 10 0 ADAERN O=Cc1nnc([C@H]2CCCOC2)s1 258229702 351861192 /nfs/dbraw/zinc/86/11/92/351861192.db2.gz ZHAYDFDCJSJQCL-LURJTMIESA-N 0 0 198.247 1.245 10 0 ADAERN O=C1N[C@@H]([C@@H]2CCCSC2)CO1 258372339 351860939 /nfs/dbraw/zinc/86/09/39/351860939.db2.gz MJWPQJHIVYBLKN-RNFRBKRXSA-N 0 0 187.264 1.238 10 0 ADAERN COC(=O)Cc1cccc2c1CCN2 258306891 351861110 /nfs/dbraw/zinc/86/11/10/351861110.db2.gz WSMPAMQQDKTDON-UHFFFAOYSA-N 0 0 191.230 1.370 10 0 ADAERN O=C1N[C@H]([C@H]2CCCSC2)CO1 258372336 351861122 /nfs/dbraw/zinc/86/11/22/351861122.db2.gz MJWPQJHIVYBLKN-BQBZGAKWSA-N 0 0 187.264 1.238 10 0 ADAERN C[C@]1([C@@H]2CCCCO2)CNC(=O)O1 258264250 351861152 /nfs/dbraw/zinc/86/11/52/351861152.db2.gz ICYFLOJJXSYXAT-IONNQARKSA-N 0 0 185.223 1.054 10 0 ADAERN O=C1N[C@H]([C@@H]2CCCSC2)CO1 258372340 351861187 /nfs/dbraw/zinc/86/11/87/351861187.db2.gz MJWPQJHIVYBLKN-RQJHMYQMSA-N 0 0 187.264 1.238 10 0 ADAERN O=Cc1nnc([C@@H]2CCCOC2)s1 258229706 351861209 /nfs/dbraw/zinc/86/12/09/351861209.db2.gz ZHAYDFDCJSJQCL-ZCFIWIBFSA-N 0 0 198.247 1.245 10 0 ADAERN C[C@@]1([C@@H]2CCCCO2)CNC(=O)O1 258264247 351861228 /nfs/dbraw/zinc/86/12/28/351861228.db2.gz ICYFLOJJXSYXAT-CBAPKCEASA-N 0 0 185.223 1.054 10 0 ADAERN C[C@@]1([C@H]2CCCCO2)CNC(=O)O1 258264244 351861296 /nfs/dbraw/zinc/86/12/96/351861296.db2.gz ICYFLOJJXSYXAT-APPZFPTMSA-N 0 0 185.223 1.054 10 0 ADAERN CC[C@@H](O)c1cccc(F)c1N 258420009 351861620 /nfs/dbraw/zinc/86/16/20/351861620.db2.gz BWMUUCYCXQNVBN-MRVPVSSYSA-N 0 0 169.199 1.851 10 0 ADAERN Cc1oc(N)nc1C1CCC1 258441094 351861643 /nfs/dbraw/zinc/86/16/43/351861643.db2.gz FCDCEGLIGQJNMU-UHFFFAOYSA-N 0 0 152.197 1.833 10 0 ADAERN CCC(F)(F)[C@H](C)NC 258423997 351861683 /nfs/dbraw/zinc/86/16/83/351861683.db2.gz CFIKYGRWDFZVBX-YFKPBYRVSA-N 0 0 137.173 1.640 10 0 ADAERN CC[C@H](O)c1cccc(F)c1N 258420010 351861787 /nfs/dbraw/zinc/86/17/87/351861787.db2.gz BWMUUCYCXQNVBN-QMMMGPOBSA-N 0 0 169.199 1.851 10 0 ADAERN C[C@@]1(C2CCC2)CNC(=O)O1 258420111 351861931 /nfs/dbraw/zinc/86/19/31/351861931.db2.gz BXAOIFTUAZMWTG-QMMMGPOBSA-N 0 0 155.197 1.285 10 0 ADAERN C[C@]1(C2CCC2)CNC(=O)O1 258420106 351861977 /nfs/dbraw/zinc/86/19/77/351861977.db2.gz BXAOIFTUAZMWTG-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN CCC(F)(F)[C@@H](C)NC 258423994 351861996 /nfs/dbraw/zinc/86/19/96/351861996.db2.gz CFIKYGRWDFZVBX-RXMQYKEDSA-N 0 0 137.173 1.640 10 0 ADAERN CCc1oc(N)nc1C1CC1 258448433 351862366 /nfs/dbraw/zinc/86/23/66/351862366.db2.gz FRBRCIAQBDZCBS-UHFFFAOYSA-N 0 0 152.197 1.697 10 0 ADAERN O=Cc1cn2ccc(F)cc2n1 258468950 351862557 /nfs/dbraw/zinc/86/25/57/351862557.db2.gz HYGDOEMYUVAIDC-UHFFFAOYSA-N 0 0 164.139 1.286 10 0 ADAERN Cc1nc(N)oc1CC(C)C 258514721 351862892 /nfs/dbraw/zinc/86/28/92/351862892.db2.gz LQSZMIRKPQBINA-UHFFFAOYSA-N 0 0 154.213 1.764 10 0 ADAERN N#CN1CCNc2ccccc21 258508327 351862922 /nfs/dbraw/zinc/86/29/22/351862922.db2.gz LBBSMLODRVJUJS-UHFFFAOYSA-N 0 0 159.192 1.400 10 0 ADAERN C[C@@]1(Cc2cccs2)CNC(=O)O1 258485273 351862966 /nfs/dbraw/zinc/86/29/66/351862966.db2.gz QRLHTQVZWKXYFJ-SECBINFHSA-N 0 0 197.259 1.789 10 0 ADAERN Cc1cc(C=O)cc(C#N)c1C 258485953 351863086 /nfs/dbraw/zinc/86/30/86/351863086.db2.gz JPNKSTLSNZSOAR-UHFFFAOYSA-N 0 0 159.188 1.988 10 0 ADAERN C[C@]1(Cc2cccs2)CNC(=O)O1 258485275 351863100 /nfs/dbraw/zinc/86/31/00/351863100.db2.gz QRLHTQVZWKXYFJ-VIFPVBQESA-N 0 0 197.259 1.789 10 0 ADAERN C[C@]1(C2CCC2)COC(=O)N1 258492651 351863209 /nfs/dbraw/zinc/86/32/09/351863209.db2.gz KESQSIUGDZPRRY-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN CC1=CC=CC2=NC(=O)CN12 258488409 351863166 /nfs/dbraw/zinc/86/31/66/351863166.db2.gz JVFCKZAICVNMQB-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN CCCc1[nH]c(CO)nc1C 258500371 351863213 /nfs/dbraw/zinc/86/32/13/351863213.db2.gz DUQCQXOGWRUJRC-UHFFFAOYSA-N 0 0 154.213 1.163 10 0 ADAERN CC1(c2nnc(CN)s2)CC1 258521260 351863888 /nfs/dbraw/zinc/86/38/88/351863888.db2.gz MHQPGFXZMHVTMP-UHFFFAOYSA-N 0 0 169.253 1.048 10 0 ADAERN CCc1cc(N)c(C)cc1O 258534046 351863621 /nfs/dbraw/zinc/86/36/21/351863621.db2.gz NUIYDYWTERJGPQ-UHFFFAOYSA-N 0 0 151.209 1.845 10 0 ADAERN C[C@@]1(C2CCCC2)CNC(=O)CO1 258537278 351863657 /nfs/dbraw/zinc/86/36/57/351863657.db2.gz SMBXAJPZGNZZOE-JTQLQIEISA-N 0 0 183.251 1.082 10 0 ADAERN Fc1nnc2ccccc2n1 258519048 351863666 /nfs/dbraw/zinc/86/36/66/351863666.db2.gz MAPJWLVQHFUUJP-UHFFFAOYSA-N 0 0 149.128 1.164 10 0 ADAERN O=C1CO[C@@H](C2CCCCC2)CN1 258529360 351863808 /nfs/dbraw/zinc/86/38/08/351863808.db2.gz SDPDEFIELXSXFR-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN O=C1CO[C@H](C2CCCCC2)CN1 258529363 351863851 /nfs/dbraw/zinc/86/38/51/351863851.db2.gz SDPDEFIELXSXFR-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN COc1c(N)ccc(C)c1F 258539212 351863867 /nfs/dbraw/zinc/86/38/67/351863867.db2.gz OHDSBSJJEZIMSJ-UHFFFAOYSA-N 0 0 155.172 1.725 10 0 ADAERN C[C@]1(C2CCCC2)CNC(=O)CO1 258537280 351863882 /nfs/dbraw/zinc/86/38/82/351863882.db2.gz SMBXAJPZGNZZOE-SNVBAGLBSA-N 0 0 183.251 1.082 10 0 ADAERN COC1=CC=CN2CC(=O)N=C12 258536061 351863892 /nfs/dbraw/zinc/86/38/92/351863892.db2.gz NZATWJFNIWVSBS-UHFFFAOYSA-N 0 0 164.164 1.049 10 0 ADAERN CC(C)c1c(N)nnn1C1CC1 258583612 351864204 /nfs/dbraw/zinc/86/42/04/351864204.db2.gz SNKJYQFOWKTDAG-UHFFFAOYSA-N 0 0 166.228 1.319 10 0 ADAERN CCc1c(N)nnn1C1CCC1 258552675 351864327 /nfs/dbraw/zinc/86/43/27/351864327.db2.gz PPKQEBKTEOPEPI-UHFFFAOYSA-N 0 0 166.228 1.148 10 0 ADAERN Cc1nc(C=O)[nH]c1C(C)(C)C 258563970 351864459 /nfs/dbraw/zinc/86/44/59/351864459.db2.gz QWBWRPFEUGMGBS-UHFFFAOYSA-N 0 0 166.224 1.828 10 0 ADAERN COc1c(F)ccc(C)c1N 258567238 351864529 /nfs/dbraw/zinc/86/45/29/351864529.db2.gz RFDTWTBSQNKZBT-UHFFFAOYSA-N 0 0 155.172 1.725 10 0 ADAERN CC(C)(C)n1cc(CCO)cn1 258565371 351864556 /nfs/dbraw/zinc/86/45/56/351864556.db2.gz QZFJFKFEAGPWHD-UHFFFAOYSA-N 0 0 168.240 1.173 10 0 ADAERN Nc1nc(C2CCC2)co1 258574784 351864567 /nfs/dbraw/zinc/86/45/67/351864567.db2.gz RWOXLGBNWUKGIF-UHFFFAOYSA-N 0 0 138.170 1.524 10 0 ADAERN Cc1ccc(N)c(O)c1F 258597366 351864978 /nfs/dbraw/zinc/86/49/78/351864978.db2.gz UOBREGZPCTYXMI-UHFFFAOYSA-N 0 0 141.145 1.422 10 0 ADAERN C[C@@]1(C2CCC2)CNC(=O)C1 258620081 351864990 /nfs/dbraw/zinc/86/49/90/351864990.db2.gz WPGDSATZYGAKHK-VIFPVBQESA-N 0 0 153.225 1.313 10 0 ADAERN Nc1nnn(C2CC2)c1C1CC1 258604458 351865031 /nfs/dbraw/zinc/86/50/31/351865031.db2.gz VFSSYVXBOGYLHV-UHFFFAOYSA-N 0 0 164.212 1.073 10 0 ADAERN C[C@]1(C2CCC2)CNC(=O)C1 258620077 351865173 /nfs/dbraw/zinc/86/51/73/351865173.db2.gz WPGDSATZYGAKHK-SECBINFHSA-N 0 0 153.225 1.313 10 0 ADAERN CN(C(N)=O)c1ccc(F)c(F)c1 258611589 351865266 /nfs/dbraw/zinc/86/52/66/351865266.db2.gz AZDGHDMKCLPGGV-UHFFFAOYSA-N 0 0 186.161 1.480 10 0 ADAERN Clc1nccc2c1COCC2 258627535 351865289 /nfs/dbraw/zinc/86/52/89/351865289.db2.gz XHMOORYKRGMXAJ-UHFFFAOYSA-N 0 0 169.611 1.808 10 0 ADAERN Cc1ccc(C)c(N(C)C(N)=O)c1 258630665 351865573 /nfs/dbraw/zinc/86/55/73/351865573.db2.gz DKWQGJYVNVGUKU-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN CSc1ccc(N(C)C(N)=O)cc1 258649435 351865516 /nfs/dbraw/zinc/86/55/16/351865516.db2.gz GVECWZNKKVZDMD-UHFFFAOYSA-N 0 0 196.275 1.923 10 0 ADAERN Cc1[nH]c(CO)nc1C(C)(C)C 258652205 351865536 /nfs/dbraw/zinc/86/55/36/351865536.db2.gz ZOEKIDOEHZFQID-UHFFFAOYSA-N 0 0 168.240 1.508 10 0 ADAERN Cc1oc(N)nc1C(C)(C)C 258644554 351865680 /nfs/dbraw/zinc/86/56/80/351865680.db2.gz ZAHPJGNWDWPHLM-UHFFFAOYSA-N 0 0 154.213 1.863 10 0 ADAERN CC(=O)c1cc(N)c(F)c(F)c1 258646984 351865699 /nfs/dbraw/zinc/86/56/99/351865699.db2.gz ZHBVHIGCGGJITM-UHFFFAOYSA-N 0 0 171.146 1.750 10 0 ADAERN Cc1ccc(N(C)C(N)=O)cc1C 258658740 351865773 /nfs/dbraw/zinc/86/57/73/351865773.db2.gz HWPHJOHPQUVJAF-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN CN(C(N)=O)c1cc(F)ccc1F 258740642 351866423 /nfs/dbraw/zinc/86/64/23/351866423.db2.gz SFMLBXNZALDRDW-UHFFFAOYSA-N 0 0 186.161 1.480 10 0 ADAERN C[C@]1(C[C@@H]2CCCO2)CNC(=O)O1 258699628 351866204 /nfs/dbraw/zinc/86/62/04/351866204.db2.gz YHFABFCJRCEUDM-CBAPKCEASA-N 0 0 185.223 1.054 10 0 ADAERN CC(C)(C)C[C@@]1(C)CNC(=O)O1 258682113 351866230 /nfs/dbraw/zinc/86/62/30/351866230.db2.gz XTESBCSFBUKFDO-VIFPVBQESA-N 0 0 171.240 1.921 10 0 ADAERN C[C@]1(C[C@H]2CCCO2)CNC(=O)O1 258699627 351866260 /nfs/dbraw/zinc/86/62/60/351866260.db2.gz YHFABFCJRCEUDM-APPZFPTMSA-N 0 0 185.223 1.054 10 0 ADAERN C[C@@]1(C[C@H]2CCCO2)CNC(=O)O1 258699630 351866308 /nfs/dbraw/zinc/86/63/08/351866308.db2.gz YHFABFCJRCEUDM-VXNVDRBHSA-N 0 0 185.223 1.054 10 0 ADAERN CC(C)(C)C[C@]1(C)CNC(=O)O1 258682109 351866411 /nfs/dbraw/zinc/86/64/11/351866411.db2.gz XTESBCSFBUKFDO-SECBINFHSA-N 0 0 171.240 1.921 10 0 ADAERN C[C@@]1(C[C@@H]2CCCO2)CNC(=O)O1 258699629 351866416 /nfs/dbraw/zinc/86/64/16/351866416.db2.gz YHFABFCJRCEUDM-IONNQARKSA-N 0 0 185.223 1.054 10 0 ADAERN CCN(C)c1c(N)cccc1F 258824531 351867622 /nfs/dbraw/zinc/86/76/22/351867622.db2.gz PLLIAYZVALGLPB-UHFFFAOYSA-N 0 0 168.215 1.864 10 0 ADAERN CCCc1sc(CO)nc1C 258875453 351868211 /nfs/dbraw/zinc/86/82/11/351868211.db2.gz SDXZMGQZJKXNGR-UHFFFAOYSA-N 0 0 171.265 1.896 10 0 ADAERN CNc1ccc(NC(=O)OC)cn1 259068211 351869010 /nfs/dbraw/zinc/86/90/10/351869010.db2.gz HZKGGTVGUAZZIE-UHFFFAOYSA-N 0 0 181.195 1.302 10 0 ADAERN NC1(c2ccc(Cl)s2)COC1 259063535 351869039 /nfs/dbraw/zinc/86/90/39/351869039.db2.gz BQTNFLGKJBTROX-UHFFFAOYSA-N 0 0 189.667 1.586 10 0 ADAERN Cc1ccc(-c2cc[nH]c(=O)n2)o1 259023175 351869063 /nfs/dbraw/zinc/86/90/63/351869063.db2.gz GKPQBOASXYIPLE-UHFFFAOYSA-N 0 0 176.175 1.751 10 0 ADAERN CNc1nccc(C2CCC2)n1 259019468 351869107 /nfs/dbraw/zinc/86/91/07/351869107.db2.gz FZBZYYCVEGUQFZ-UHFFFAOYSA-N 0 0 163.224 1.786 10 0 ADAERN O=C1CSC(C2CCOCC2)=N1 259122601 351869842 /nfs/dbraw/zinc/86/98/42/351869842.db2.gz BYWIYDYOVORMKQ-UHFFFAOYSA-N 0 0 185.248 1.743 10 0 ADAERN C[C@@H]1C(=O)Nc2cccc(F)c2N1C 259135577 351870210 /nfs/dbraw/zinc/87/02/10/351870210.db2.gz GZZDICDSPXKOHB-ZCFIWIBFSA-N 0 0 194.209 1.603 10 0 ADAERN Cc1cc(C2CCC2)nc(N)n1 259149451 351870424 /nfs/dbraw/zinc/87/04/24/351870424.db2.gz RSVZSRNMXVYWLA-UHFFFAOYSA-N 0 0 163.224 1.635 10 0 ADAERN C[C@H]1C(=O)Nc2cccc(F)c2N1C 259135573 351870495 /nfs/dbraw/zinc/87/04/95/351870495.db2.gz GZZDICDSPXKOHB-LURJTMIESA-N 0 0 194.209 1.603 10 0 ADAERN CNc1cc(C2CCC2)[nH]n1 259150069 351870605 /nfs/dbraw/zinc/87/06/05/351870605.db2.gz KKOJBZRWAGXHHJ-UHFFFAOYSA-N 0 0 151.213 1.719 10 0 ADAERN O=C1CSC(c2ccc[nH]2)=N1 259200788 351871234 /nfs/dbraw/zinc/87/12/34/351871234.db2.gz HJVVOOAEZXRYJM-UHFFFAOYSA-N 0 0 166.205 1.844 10 0 ADAERN NN=c1nccc(C2CCC2)[nH]1 259228466 351871244 /nfs/dbraw/zinc/87/12/44/351871244.db2.gz ASFMMWKOUUGJBQ-UHFFFAOYSA-N 0 0 164.212 1.030 10 0 ADAERN C=Cc1c(C)cnn1C 259280023 351871687 /nfs/dbraw/zinc/87/16/87/351871687.db2.gz MFWDSKVCLJVFJH-UHFFFAOYSA-N 0 0 122.171 1.372 10 0 ADAERN Cc1cc(Cl)c(C(N)=O)cc1F 259245823 351871857 /nfs/dbraw/zinc/87/18/57/351871857.db2.gz PKPBNPALTIJREF-UHFFFAOYSA-N 0 0 187.601 1.886 10 0 ADAERN COCC(C)(C)CCO 259261423 351871955 /nfs/dbraw/zinc/87/19/55/351871955.db2.gz LMYYGVAPDQKWLQ-UHFFFAOYSA-N 0 0 132.203 1.041 10 0 ADAERN CSC[C@H](O)c1ccc[nH]1 259343485 351872493 /nfs/dbraw/zinc/87/24/93/351872493.db2.gz VJDPOJIYSGEYBK-ZETCQYMHSA-N 0 0 157.238 1.411 10 0 ADAERN CC1(C)[C@H](O)CCN1C(=O)C1CCC1 259321813 351872509 /nfs/dbraw/zinc/87/25/09/351872509.db2.gz XGALFPIOXWDPBW-SECBINFHSA-N 0 0 197.278 1.158 10 0 ADAERN CC1(c2cnc(CN)o2)CC1 259291597 351872550 /nfs/dbraw/zinc/87/25/50/351872550.db2.gz MUMXAUFGHSMPIH-UHFFFAOYSA-N 0 0 152.197 1.185 10 0 ADAERN CSC[C@@H](O)c1ccc[nH]1 259343484 351872613 /nfs/dbraw/zinc/87/26/13/351872613.db2.gz VJDPOJIYSGEYBK-SSDOTTSWSA-N 0 0 157.238 1.411 10 0 ADAERN CC1(C)[C@@H](O)CCN1C(=O)C1CCC1 259321816 351872649 /nfs/dbraw/zinc/87/26/49/351872649.db2.gz XGALFPIOXWDPBW-VIFPVBQESA-N 0 0 197.278 1.158 10 0 ADAERN CNc1ncc(CC(C)C)cn1 259316214 351872736 /nfs/dbraw/zinc/87/27/36/351872736.db2.gz PGQZJTZYLLAZHF-UHFFFAOYSA-N 0 0 165.240 1.717 10 0 ADAERN NNc1coc2ccccc12 259340425 351872776 /nfs/dbraw/zinc/87/27/76/351872776.db2.gz SMSJSFPYKPHSSX-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN CNc1ccc(C2CCC2)nn1 259363375 351873454 /nfs/dbraw/zinc/87/34/54/351873454.db2.gz SFFDXWUQJCTRCH-UHFFFAOYSA-N 0 0 163.224 1.786 10 0 ADAERN O=C1Nc2cccc(F)c2NC12CC2 259370466 351873596 /nfs/dbraw/zinc/87/35/96/351873596.db2.gz VKTCKTOLGQLDGL-UHFFFAOYSA-N 0 0 192.193 1.722 10 0 ADAERN CC(C)C(=O)N1CC(=O)CC1(C)C 259362153 351873604 /nfs/dbraw/zinc/87/36/04/351873604.db2.gz ZGFMBTRHMGXZMS-UHFFFAOYSA-N 0 0 183.251 1.222 10 0 ADAERN CC1(c2ncc(C=O)o2)CC1 259365343 351873683 /nfs/dbraw/zinc/87/36/83/351873683.db2.gz QGDMAEZALMAIAO-UHFFFAOYSA-N 0 0 151.165 1.539 10 0 ADAERN O=Cc1cnc(C2CCC2)o1 259361448 351873694 /nfs/dbraw/zinc/87/36/94/351873694.db2.gz PYUSEDDWTIVBAY-UHFFFAOYSA-N 0 0 151.165 1.755 10 0 ADAERN Clc1ccc([C@@H]2CCCO2)nn1 259387927 351873751 /nfs/dbraw/zinc/87/37/51/351873751.db2.gz IJOABQIQORVWKQ-ZETCQYMHSA-N 0 0 184.626 1.982 10 0 ADAERN NCC(=O)c1cc(F)cc(F)c1F 259379534 351873850 /nfs/dbraw/zinc/87/38/50/351873850.db2.gz HXZJZMLBGIVHDT-UHFFFAOYSA-N 0 0 189.136 1.245 10 0 ADAERN Clc1ccc([C@H]2CCCO2)nn1 259387922 351873917 /nfs/dbraw/zinc/87/39/17/351873917.db2.gz IJOABQIQORVWKQ-SSDOTTSWSA-N 0 0 184.626 1.982 10 0 ADAERN C[N@@H+]1C[C@@H](CC(=O)[O-])CC1(C)C 259448621 351874252 /nfs/dbraw/zinc/87/42/52/351874252.db2.gz OZPMIYMVNYIZHK-ZETCQYMHSA-N 0 0 171.240 1.191 10 0 ADAERN C[N@@H+]1C[C@H](CC(=O)[O-])CC1(C)C 259448616 351874283 /nfs/dbraw/zinc/87/42/83/351874283.db2.gz OZPMIYMVNYIZHK-SSDOTTSWSA-N 0 0 171.240 1.191 10 0 ADAERN O=Cc1cc([C@@H]2CCCO2)[nH]n1 259404044 351874363 /nfs/dbraw/zinc/87/43/63/351874363.db2.gz XKEAIPOZMPOJLZ-QMMMGPOBSA-N 0 0 166.180 1.074 10 0 ADAERN C[C@@H](O)c1ccc(Cl)c(N)c1 259445836 351874396 /nfs/dbraw/zinc/87/43/96/351874396.db2.gz MAKDGZFPHSMIDC-RXMQYKEDSA-N 0 0 171.627 1.976 10 0 ADAERN C[C@H](O)c1ccc(Cl)c(N)c1 259445838 351874469 /nfs/dbraw/zinc/87/44/69/351874469.db2.gz MAKDGZFPHSMIDC-YFKPBYRVSA-N 0 0 171.627 1.976 10 0 ADAERN O=Cc1cc([C@H]2CCCO2)[nH]n1 259404039 351874577 /nfs/dbraw/zinc/87/45/77/351874577.db2.gz XKEAIPOZMPOJLZ-MRVPVSSYSA-N 0 0 166.180 1.074 10 0 ADAERN NN=c1[nH]c(C2CCC2)cs1 259414151 351874639 /nfs/dbraw/zinc/87/46/39/351874639.db2.gz WKJPOHOYZGSRDK-UHFFFAOYSA-N 0 0 169.253 1.696 10 0 ADAERN COc1ccncc1C(C)(C)O 259418254 351874774 /nfs/dbraw/zinc/87/47/74/351874774.db2.gz SREXKNLIUJFWJL-UHFFFAOYSA-N 0 0 167.208 1.318 10 0 ADAERN CCNc1ncc(CC)cn1 259508012 351875070 /nfs/dbraw/zinc/87/50/70/351875070.db2.gz QRGQUSWLIFPXRA-UHFFFAOYSA-N 0 0 151.213 1.471 10 0 ADAERN CNC(=O)N1CCC(F)(F)CC1 259506307 351875105 /nfs/dbraw/zinc/87/51/05/351875105.db2.gz OKZBJRACFDSGEP-UHFFFAOYSA-N 0 0 178.182 1.057 10 0 ADAERN O=Cc1cnc([C@H]2CCCCO2)o1 259519083 351875213 /nfs/dbraw/zinc/87/52/13/351875213.db2.gz AEINWWOTXNIFGA-MRVPVSSYSA-N 0 0 181.191 1.729 10 0 ADAERN CC(C)[C@@H]([NH3+])C1(C(=O)[O-])CCC1 259515340 351875262 /nfs/dbraw/zinc/87/52/62/351875262.db2.gz RXACNXHEBCBYHR-SSDOTTSWSA-N 0 0 171.240 1.225 10 0 ADAERN CC(C)[C@H]([NH3+])C1(C(=O)[O-])CCC1 259515341 351875269 /nfs/dbraw/zinc/87/52/69/351875269.db2.gz RXACNXHEBCBYHR-ZETCQYMHSA-N 0 0 171.240 1.225 10 0 ADAERN CCC1(c2nnc(N)o2)CC1 259489578 351875295 /nfs/dbraw/zinc/87/52/95/351875295.db2.gz XXKXVNYGHDFVGJ-UHFFFAOYSA-N 0 0 153.185 1.093 10 0 ADAERN O=Cc1nnc([C@@H]2CCCO2)s1 259538951 351875867 /nfs/dbraw/zinc/87/58/67/351875867.db2.gz BRTTXVXOUWRLGQ-YFKPBYRVSA-N 0 0 184.220 1.202 10 0 ADAERN O=Cc1cnc([C@@H]2CCCCO2)o1 259519098 351875348 /nfs/dbraw/zinc/87/53/48/351875348.db2.gz AEINWWOTXNIFGA-QMMMGPOBSA-N 0 0 181.191 1.729 10 0 ADAERN COC(=O)c1cc(C)ncc1OC 259462805 351875366 /nfs/dbraw/zinc/87/53/66/351875366.db2.gz AHVBVFSRNGOPLJ-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 259552562 351875802 /nfs/dbraw/zinc/87/58/02/351875802.db2.gz VVSZSLJIAMRMMD-VIFPVBQESA-N 0 0 193.250 1.339 10 0 ADAERN O=c1ccc([C@H]2CCCO2)n[nH]1 259528162 351875890 /nfs/dbraw/zinc/87/58/90/351875890.db2.gz UBBUNNWDFTYJQF-SSDOTTSWSA-N 0 0 166.180 1.034 10 0 ADAERN CC1(c2nnc(C=O)s2)CC1 259551870 351875992 /nfs/dbraw/zinc/87/59/92/351875992.db2.gz CQTSZHMSHKOXRZ-UHFFFAOYSA-N 0 0 168.221 1.402 10 0 ADAERN CCN(CC)c1ncc(N)c(C)n1 259548872 351876070 /nfs/dbraw/zinc/87/60/70/351876070.db2.gz CLIDRAZKEVAADF-UHFFFAOYSA-N 0 0 180.255 1.213 10 0 ADAERN O=Cc1nnc([C@H]2CCCO2)s1 259538930 351876163 /nfs/dbraw/zinc/87/61/63/351876163.db2.gz BRTTXVXOUWRLGQ-RXMQYKEDSA-N 0 0 184.220 1.202 10 0 ADAERN O=Cc1cnc([C@@H]2CCCO2)o1 259533147 351876196 /nfs/dbraw/zinc/87/61/96/351876196.db2.gz BFCHEYVRRHYQMD-ZETCQYMHSA-N 0 0 167.164 1.339 10 0 ADAERN O=c1ccc([C@@H]2CCCO2)n[nH]1 259528165 351876232 /nfs/dbraw/zinc/87/62/32/351876232.db2.gz UBBUNNWDFTYJQF-ZETCQYMHSA-N 0 0 166.180 1.034 10 0 ADAERN Nc1nc(C2CCSCC2)no1 259538852 351876274 /nfs/dbraw/zinc/87/62/74/351876274.db2.gz BRLWJEPJLUGRDK-UHFFFAOYSA-N 0 0 185.252 1.262 10 0 ADAERN CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 259552559 351876355 /nfs/dbraw/zinc/87/63/55/351876355.db2.gz VVSZSLJIAMRMMD-SECBINFHSA-N 0 0 193.250 1.339 10 0 ADAERN C[C@@H](O)C1(c2ccc(N)cc2)CC1 259623050 351876741 /nfs/dbraw/zinc/87/67/41/351876741.db2.gz FKKBHSBDCBUOAR-MRVPVSSYSA-N 0 0 177.247 1.681 10 0 ADAERN CC1(c2noc(CN)n2)CCCC1 259623031 351876789 /nfs/dbraw/zinc/87/67/89/351876789.db2.gz FKCITULYLQUIHR-UHFFFAOYSA-N 0 0 181.239 1.360 10 0 ADAERN COC(=O)c1coc2c1CCCC2 259566428 351876815 /nfs/dbraw/zinc/87/68/15/351876815.db2.gz IVYOJLXZLISFLP-UHFFFAOYSA-N 0 0 180.203 1.945 10 0 ADAERN C[C@H](O)C1(c2ccc(N)cc2)CC1 259623057 351876981 /nfs/dbraw/zinc/87/69/81/351876981.db2.gz FKKBHSBDCBUOAR-QMMMGPOBSA-N 0 0 177.247 1.681 10 0 ADAERN CC1(c2nc(C[NH3+])c[nH]2)CCCC1 259609601 351877021 /nfs/dbraw/zinc/87/70/21/351877021.db2.gz DOYUUUDNVWVPFI-UHFFFAOYSA-N 0 0 179.267 1.700 10 0 ADAERN COC(=O)Cc1cccc(F)c1C=O 259595499 351877058 /nfs/dbraw/zinc/87/70/58/351877058.db2.gz CILUILGHTKTWEM-UHFFFAOYSA-N 0 0 196.177 1.354 10 0 ADAERN Cc1cccc(-n2cnc(N)n2)c1 259620937 351877092 /nfs/dbraw/zinc/87/70/92/351877092.db2.gz FIIOYXBTOAOLJY-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN Nc1cccc(N2CC[C@H](F)C2)c1 259670155 351877334 /nfs/dbraw/zinc/87/73/34/351877334.db2.gz ILSSMIBNEXLYOA-QMMMGPOBSA-N 0 0 180.226 1.817 10 0 ADAERN O=Cc1c[nH]c([C@H]2CCCCO2)n1 259638640 351877340 /nfs/dbraw/zinc/87/73/40/351877340.db2.gz GLGVBYLVCYIYGY-MRVPVSSYSA-N 0 0 180.207 1.464 10 0 ADAERN O=Cc1c[nH]c([C@@H]2CCCCO2)n1 259638645 351877385 /nfs/dbraw/zinc/87/73/85/351877385.db2.gz GLGVBYLVCYIYGY-QMMMGPOBSA-N 0 0 180.207 1.464 10 0 ADAERN Cc1cc(C=O)c(C=O)cc1F 259657572 351877403 /nfs/dbraw/zinc/87/74/03/351877403.db2.gz HORBJRZSERIUDM-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN Nc1cccc(N2CC[C@@H](F)C2)c1 259670154 351877407 /nfs/dbraw/zinc/87/74/07/351877407.db2.gz ILSSMIBNEXLYOA-MRVPVSSYSA-N 0 0 180.226 1.817 10 0 ADAERN Cc1csc(C(F)(F)CN)n1 259633143 351877409 /nfs/dbraw/zinc/87/74/09/351877409.db2.gz GCLAMZAASUAUMT-UHFFFAOYSA-N 0 0 178.207 1.502 10 0 ADAERN CC(C)C1(c2nnc(N)s2)CC1 259642232 351877623 /nfs/dbraw/zinc/87/76/23/351877623.db2.gz GRERZZARPMWTEQ-UHFFFAOYSA-N 0 0 183.280 1.808 10 0 ADAERN Nc1cccc(NC2=NCCS2)c1 259654783 351877684 /nfs/dbraw/zinc/87/76/84/351877684.db2.gz HIVNAQNYCJEHQB-UHFFFAOYSA-N 0 0 193.275 1.784 10 0 ADAERN CC(C)(C)C(C)(C)c1nc(N)n[nH]1 259686138 351878095 /nfs/dbraw/zinc/87/80/95/351878095.db2.gz JLZKZUSQWRQSJS-UHFFFAOYSA-N 0 0 182.271 1.711 10 0 ADAERN O=Cc1c[nH]c([C@H]2CCSC2)n1 259683510 351878226 /nfs/dbraw/zinc/87/82/26/351878226.db2.gz JHAVFBFUZGMLIU-LURJTMIESA-N 0 0 182.248 1.443 10 0 ADAERN COc1c(F)cc(C=O)cc1C#N 259693552 351878274 /nfs/dbraw/zinc/87/82/74/351878274.db2.gz JZIBRWDBKSCHLD-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN O=Cc1c[nH]c([C@@H]2CCSC2)n1 259683512 351878329 /nfs/dbraw/zinc/87/83/29/351878329.db2.gz JHAVFBFUZGMLIU-ZCFIWIBFSA-N 0 0 182.248 1.443 10 0 ADAERN CC(C)(C)C(C)(C)c1nnc(N)o1 259683639 351878466 /nfs/dbraw/zinc/87/84/66/351878466.db2.gz JLDUCULTUVGHSQ-UHFFFAOYSA-N 0 0 183.255 1.976 10 0 ADAERN Cc1cc(C#N)cc(C=O)c1C 259677748 351878475 /nfs/dbraw/zinc/87/84/75/351878475.db2.gz IWVMHSRGLHESKH-UHFFFAOYSA-N 0 0 159.188 1.988 10 0 ADAERN C[C@]1(c2cc(N)n[nH]2)CCCO1 259748324 351878706 /nfs/dbraw/zinc/87/87/06/351878706.db2.gz NYZHRTRLQBCNHQ-MRVPVSSYSA-N 0 0 167.212 1.018 10 0 ADAERN CC(C)(c1nnc(N)o1)C1CCC1 259723832 351878780 /nfs/dbraw/zinc/87/87/80/351878780.db2.gz MBNAKFRVUXPJLA-UHFFFAOYSA-N 0 0 181.239 1.730 10 0 ADAERN O=Cc1nnc(C2CCC2)s1 259735581 351878942 /nfs/dbraw/zinc/87/89/42/351878942.db2.gz MYWXDKPWGYNHJO-UHFFFAOYSA-N 0 0 168.221 1.618 10 0 ADAERN O=c1[n-]c(C2CCSCC2)n[nH]1 259741318 351878974 /nfs/dbraw/zinc/87/89/74/351878974.db2.gz NNWBQLUOJNVCBD-UHFFFAOYSA-N 0 0 185.252 1.121 10 0 ADAERN O=Cc1cnc([C@@H]2CCCOC2)o1 259730761 351879032 /nfs/dbraw/zinc/87/90/32/351879032.db2.gz MNZRGCZFTQJHHI-SSDOTTSWSA-N 0 0 181.191 1.381 10 0 ADAERN O=Cc1cnc([C@H]2CCCOC2)o1 259730768 351879083 /nfs/dbraw/zinc/87/90/83/351879083.db2.gz MNZRGCZFTQJHHI-ZETCQYMHSA-N 0 0 181.191 1.381 10 0 ADAERN Nc1nnc(C2CCSCC2)o1 259741307 351879113 /nfs/dbraw/zinc/87/91/13/351879113.db2.gz NNPVTTHPTUSTHI-UHFFFAOYSA-N 0 0 185.252 1.262 10 0 ADAERN [NH3+][C@@]1(CC(=O)[O-])CCCSCC1 259717892 351879116 /nfs/dbraw/zinc/87/91/16/351879116.db2.gz LQDWOLKOEHHIFM-QMMMGPOBSA-N 0 0 189.280 1.076 10 0 ADAERN CC(C)(c1nc(N)n[nH]1)C1CCC1 259753301 351879130 /nfs/dbraw/zinc/87/91/30/351879130.db2.gz OLZVCBXMLHVGOS-UHFFFAOYSA-N 0 0 180.255 1.465 10 0 ADAERN C[C@@]1(c2cc(N)n[nH]2)CCCO1 259748338 351879159 /nfs/dbraw/zinc/87/91/59/351879159.db2.gz NYZHRTRLQBCNHQ-QMMMGPOBSA-N 0 0 167.212 1.018 10 0 ADAERN [NH3+][C@]1(CC(=O)[O-])CCCSCC1 259717870 351879174 /nfs/dbraw/zinc/87/91/74/351879174.db2.gz LQDWOLKOEHHIFM-MRVPVSSYSA-N 0 0 189.280 1.076 10 0 ADAERN C[C@H](O)C(C)(C)c1ccc(N)cc1 259769132 351879437 /nfs/dbraw/zinc/87/94/37/351879437.db2.gz PPUNAZJNKVFBMR-QMMMGPOBSA-N 0 0 179.263 1.927 10 0 ADAERN CC(C)(c1nc(N)n[nH]1)C(F)(F)F 259769150 351879461 /nfs/dbraw/zinc/87/94/61/351879461.db2.gz PQIXVGMTKROFIU-UHFFFAOYSA-N 0 0 194.160 1.227 10 0 ADAERN NN=c1nccc(C2CCCC2)[nH]1 259791212 351879518 /nfs/dbraw/zinc/87/95/18/351879518.db2.gz YMFPWPMTHCECPM-UHFFFAOYSA-N 0 0 178.239 1.420 10 0 ADAERN COc1c(C)cc(C=O)cc1C#N 259777622 351879558 /nfs/dbraw/zinc/87/95/58/351879558.db2.gz QHWQFFCACPLWCE-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN Nc1noc(C2CCSCC2)n1 259779622 351879566 /nfs/dbraw/zinc/87/95/66/351879566.db2.gz QJCQJIIDTIRWHJ-UHFFFAOYSA-N 0 0 185.252 1.262 10 0 ADAERN CCC1(c2nnc(N)s2)CC1 259779675 351879606 /nfs/dbraw/zinc/87/96/06/351879606.db2.gz QKOAWXLJVAFINS-UHFFFAOYSA-N 0 0 169.253 1.562 10 0 ADAERN COC(=O)c1cc(F)c(C)nc1OC 259780616 351879610 /nfs/dbraw/zinc/87/96/10/351879610.db2.gz MSGLTNPWXHMGSD-UHFFFAOYSA-N 0 0 199.181 1.324 10 0 ADAERN C[C@@H](O)C(C)(C)c1ccc(N)cc1 259769131 351879746 /nfs/dbraw/zinc/87/97/46/351879746.db2.gz PPUNAZJNKVFBMR-MRVPVSSYSA-N 0 0 179.263 1.927 10 0 ADAERN CCOC(=O)c1cc(C)c(OC)cn1 259764218 351879774 /nfs/dbraw/zinc/87/97/74/351879774.db2.gz FWJICFZQVOBLBU-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN Cc1oc(N)nc1[C@H]1CCOC1 259774803 351879795 /nfs/dbraw/zinc/87/97/95/351879795.db2.gz QCOISGZYGNUIFY-LURJTMIESA-N 0 0 168.196 1.069 10 0 ADAERN Cc1oc(N)nc1[C@@H]1CCOC1 259774816 351879869 /nfs/dbraw/zinc/87/98/69/351879869.db2.gz QCOISGZYGNUIFY-ZCFIWIBFSA-N 0 0 168.196 1.069 10 0 ADAERN CCOC(=O)c1cc(N)cc(C)n1 259807528 351880151 /nfs/dbraw/zinc/88/01/51/351880151.db2.gz KSHWAOXVHWKMPF-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN Cc1nc([C@@H]2CCCO2)oc1C[NH3+] 259831909 351880134 /nfs/dbraw/zinc/88/01/34/351880134.db2.gz UYZOQHWYXDZZST-ZETCQYMHSA-N 0 0 182.223 1.293 10 0 ADAERN C[C@]1(c2ncc(C=O)o2)CCCO1 259831772 351880493 /nfs/dbraw/zinc/88/04/93/351880493.db2.gz UYSRXBDSFCEFRV-SECBINFHSA-N 0 0 181.191 1.513 10 0 ADAERN CC1(c2noc(N)n2)CCCC1 259831681 351880544 /nfs/dbraw/zinc/88/05/44/351880544.db2.gz UYNAFDAFEYRUPK-UHFFFAOYSA-N 0 0 167.212 1.484 10 0 ADAERN C[C@@]1(c2ncc(C=O)o2)CCCO1 259831788 351880622 /nfs/dbraw/zinc/88/06/22/351880622.db2.gz UYSRXBDSFCEFRV-VIFPVBQESA-N 0 0 181.191 1.513 10 0 ADAERN Cc1nc([C@H]2CCCO2)oc1C[NH3+] 259831894 351880639 /nfs/dbraw/zinc/88/06/39/351880639.db2.gz UYZOQHWYXDZZST-SSDOTTSWSA-N 0 0 182.223 1.293 10 0 ADAERN CCCc1ncc2c(n1)C[NH2+]CC2 259821113 351880696 /nfs/dbraw/zinc/88/06/96/351880696.db2.gz TZQPJVGTYAXJJW-UHFFFAOYSA-N 0 0 177.251 1.075 10 0 ADAERN Nc1ncc([C@@H]2CCSC2)s1 259853388 351881050 /nfs/dbraw/zinc/88/10/50/351881050.db2.gz WNYLNPRHHKXCHX-RXMQYKEDSA-N 0 0 186.305 1.946 10 0 ADAERN COC(=O)c1cc(C2CCC2)on1 259893391 351881062 /nfs/dbraw/zinc/88/10/62/351881062.db2.gz WPLITCLMXVXZLV-UHFFFAOYSA-N 0 0 181.191 1.729 10 0 ADAERN Nc1ncc([C@H]2CCSC2)s1 259853392 351881148 /nfs/dbraw/zinc/88/11/48/351881148.db2.gz WNYLNPRHHKXCHX-YFKPBYRVSA-N 0 0 186.305 1.946 10 0 ADAERN Nc1cc(Cl)nc(N2CCC2)c1 259889984 351881168 /nfs/dbraw/zinc/88/11/68/351881168.db2.gz YZZRPLCPOJKCGG-UHFFFAOYSA-N 0 0 183.642 1.527 10 0 ADAERN CC(C)C1(c2nnc(N)o2)CC1 259872356 351881366 /nfs/dbraw/zinc/88/13/66/351881366.db2.gz XVTXWYBEJHKRFZ-UHFFFAOYSA-N 0 0 167.212 1.339 10 0 ADAERN CC1(c2noc(N)n2)CCCCC1 259868950 351881369 /nfs/dbraw/zinc/88/13/69/351881369.db2.gz XPDSTVCLUANUIT-UHFFFAOYSA-N 0 0 181.239 1.874 10 0 ADAERN CC(C)C1(c2nc(N)n[nH]2)CC1 259857826 351881378 /nfs/dbraw/zinc/88/13/78/351881378.db2.gz WUYCAQURHDXNIJ-UHFFFAOYSA-N 0 0 166.228 1.075 10 0 ADAERN Nc1ncc([C@@H]2CCCO2)s1 259898695 351881637 /nfs/dbraw/zinc/88/16/37/351881637.db2.gz ZNZOWEITQVRGNU-YFKPBYRVSA-N 0 0 170.237 1.577 10 0 ADAERN COC(=O)c1c(OC)ccc(F)c1C 259925656 351881645 /nfs/dbraw/zinc/88/16/45/351881645.db2.gz BCQVDWXOYOCRJC-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)c1cc(C)c(F)cc1OC 259972964 351881771 /nfs/dbraw/zinc/88/17/71/351881771.db2.gz BZICEUIAEFDHBY-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)C(=O)c1ccc(C)cc1F 259975435 351881799 /nfs/dbraw/zinc/88/17/99/351881799.db2.gz CELPYMPHHMVMQB-UHFFFAOYSA-N 0 0 196.177 1.490 10 0 ADAERN COC(=O)c1cc(O)c(F)cc1F 259972925 351881852 /nfs/dbraw/zinc/88/18/52/351881852.db2.gz BZCJWQJUDKSONF-UHFFFAOYSA-N 0 0 188.129 1.457 10 0 ADAERN COC(=O)Cc1cc(C)c(C)cc1O 259941035 351881880 /nfs/dbraw/zinc/88/18/80/351881880.db2.gz BKUPZNCMEILULH-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN Nc1ncc([C@H]2CCCO2)s1 259898684 351881933 /nfs/dbraw/zinc/88/19/33/351881933.db2.gz ZNZOWEITQVRGNU-RXMQYKEDSA-N 0 0 170.237 1.577 10 0 ADAERN CCOC(=O)c1nc(Cl)cs1 259939203 351882081 /nfs/dbraw/zinc/88/20/81/351882081.db2.gz BKTPQHRFZRIHFE-UHFFFAOYSA-N 0 0 191.639 1.973 10 0 ADAERN COC(=O)c1cc(C)c(O)cc1F 260035933 351882592 /nfs/dbraw/zinc/88/25/92/351882592.db2.gz HHDCCOFZBIOIHT-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN COC(=O)c1cc(F)c(C)cc1OC 260039489 351882847 /nfs/dbraw/zinc/88/28/47/351882847.db2.gz LBCSYICRGRKQIO-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)c1c(C)ccc(F)c1OC 260263840 351884036 /nfs/dbraw/zinc/88/40/36/351884036.db2.gz ZEWRXEHTWYVDRY-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)c1c(OC)ccc(C)c1F 260043271 351882475 /nfs/dbraw/zinc/88/24/75/351882475.db2.gz KYIUKIIUOYKLTK-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)Cc1cc(O)cc(C)c1F 260005854 351882543 /nfs/dbraw/zinc/88/25/43/351882543.db2.gz FJJXDVUFYGMTNF-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CCOC(=O)c1ccc(OC)c(C)n1 260006006 351882637 /nfs/dbraw/zinc/88/26/37/351882637.db2.gz HFIWRPSAJNQICF-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN COC(=O)Cc1cc(C)c(O)cc1F 260022866 351882734 /nfs/dbraw/zinc/88/27/34/351882734.db2.gz GPJGEQGBQBHOAG-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COC(=O)Cc1cc(F)ccc1C=O 260019541 351882767 /nfs/dbraw/zinc/88/27/67/351882767.db2.gz GKEBXJBASXVADT-UHFFFAOYSA-N 0 0 196.177 1.354 10 0 ADAERN COC(=O)c1cc(C)c(OC)cc1F 260061533 351882865 /nfs/dbraw/zinc/88/28/65/351882865.db2.gz MLOXJTYUKKGCDP-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)Cc1c(C)ccc(F)c1O 259992025 351882934 /nfs/dbraw/zinc/88/29/34/351882934.db2.gz IDWSHLKAEIXWSH-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COC(=O)c1cc(N)cc(OC)c1C 260094064 351883232 /nfs/dbraw/zinc/88/32/32/351883232.db2.gz OGAGUGGFOSDHJS-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COC(=O)c1cc(O)cc(C)c1F 260162409 351883405 /nfs/dbraw/zinc/88/34/05/351883405.db2.gz ODWHHUNGKSWLRL-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN COC(=O)c1cc(F)cc(OC)c1C 260190288 351883459 /nfs/dbraw/zinc/88/34/59/351883459.db2.gz UOBUPXWQYDLGGK-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)c1c(F)ccc(C)c1OC 260121744 351883513 /nfs/dbraw/zinc/88/35/13/351883513.db2.gz PZJHSDCVUJCIME-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)Cc1c(O)ccc(F)c1C 260100082 351883517 /nfs/dbraw/zinc/88/35/17/351883517.db2.gz OPKIVPBQOLARCG-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COC(=O)Cc1cc(F)ncc1F 260263864 351884039 /nfs/dbraw/zinc/88/40/39/351884039.db2.gz ZFCLPRVFGSOPTB-UHFFFAOYSA-N 0 0 187.145 1.075 10 0 ADAERN COC(=O)c1cc2c([nH]1)CCC2 260244971 351884042 /nfs/dbraw/zinc/88/40/42/351884042.db2.gz SLMORXXEVVZEMA-UHFFFAOYSA-N 0 0 165.192 1.290 10 0 ADAERN COC(=O)Cc1cc(F)c(C)cc1O 260226253 351884046 /nfs/dbraw/zinc/88/40/46/351884046.db2.gz XBGLVPQZYNSOQZ-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN Nc1cccnc1N1CC[C@H]2C[C@H]21 260248948 351884073 /nfs/dbraw/zinc/88/40/73/351884073.db2.gz WMXSMOTXLJIIMV-IONNQARKSA-N 0 0 175.235 1.262 10 0 ADAERN COC(=O)Cc1c(F)ccc(C)c1O 260248170 351884087 /nfs/dbraw/zinc/88/40/87/351884087.db2.gz YGESHCLPZNNJHS-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CCOC(=O)c1cncc(N)c1C 260231811 351884123 /nfs/dbraw/zinc/88/41/23/351884123.db2.gz RTZJPJDMICEBRZ-UHFFFAOYSA-N 0 0 180.207 1.149 10 0 ADAERN Nc1cccnc1N1CC[C@@H]2C[C@@H]21 260248937 351884224 /nfs/dbraw/zinc/88/42/24/351884224.db2.gz WMXSMOTXLJIIMV-APPZFPTMSA-N 0 0 175.235 1.262 10 0 ADAERN COC(=O)c1c(F)ccc(OC)c1C 260258506 351884230 /nfs/dbraw/zinc/88/42/30/351884230.db2.gz YWDHAAOWTXWZAY-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)Cc1c(O)ccc(C)c1F 260209231 351884303 /nfs/dbraw/zinc/88/43/03/351884303.db2.gz VZTVKCOGAYXVRM-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CCOC(=O)c1cc(C)cc(N)c1F 260301017 351884739 /nfs/dbraw/zinc/88/47/39/351884739.db2.gz WSCFVIKHILWIAT-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN COC(=O)c1cc(C)cc(O)c1F 260279565 351884799 /nfs/dbraw/zinc/88/47/99/351884799.db2.gz VUGNPGZBFLVICJ-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN COC(=O)Cc1cc(C)cc(O)c1F 260276407 351884824 /nfs/dbraw/zinc/88/48/24/351884824.db2.gz VNYINNKOFMUHLV-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CCOC(=O)Cc1ccc(F)cc1N 260389883 351884856 /nfs/dbraw/zinc/88/48/56/351884856.db2.gz BBGFGDPPUCKEPE-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN COC(=O)c1cc(C)c(C)nc1C 260378628 351884948 /nfs/dbraw/zinc/88/49/48/351884948.db2.gz ANWSBWTZUHAOMG-UHFFFAOYSA-N 0 0 179.219 1.793 10 0 ADAERN CCOC(=O)c1c(F)ccc(N)c1C 260304740 351884964 /nfs/dbraw/zinc/88/49/64/351884964.db2.gz BIVGOSZIGKFGCD-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN CCOC(=O)c1ccc(O)c(N)c1F 260402479 351884967 /nfs/dbraw/zinc/88/49/67/351884967.db2.gz BPWVTABMQIOXKU-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)Cc1ccc(C)c(O)c1C 260310333 351885020 /nfs/dbraw/zinc/88/50/20/351885020.db2.gz XSISNRRBYXHZLK-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN CN(C#N)Cc1cc(F)ccc1F 260307010 351885069 /nfs/dbraw/zinc/88/50/69/351885069.db2.gz ZDVGCQUYCOSIPM-UHFFFAOYSA-N 0 0 182.173 1.878 10 0 ADAERN CCOC(=O)c1c(F)cncc1OC 260360011 351885095 /nfs/dbraw/zinc/88/50/95/351885095.db2.gz ZPONBZKYJATKKX-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)c1ncc(F)cc1OC 260394800 351885099 /nfs/dbraw/zinc/88/50/99/351885099.db2.gz GLONYDWTMIQERX-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)c1cc(N)cc(F)c1C 260402962 351885508 /nfs/dbraw/zinc/88/55/08/351885508.db2.gz BSFHFPKACGTJKB-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN COC(=O)C(C)(C)c1ncsc1C 260763064 351885921 /nfs/dbraw/zinc/88/59/21/351885921.db2.gz MYVWMKROEUIHFK-UHFFFAOYSA-N 0 0 199.275 1.902 10 0 ADAERN CCOC(=O)c1nccc(OC)c1C 260694530 351886087 /nfs/dbraw/zinc/88/60/87/351886087.db2.gz YJEFPLDNCUHLGK-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN CCOC(=O)c1nccc(OC)c1F 260613284 351886262 /nfs/dbraw/zinc/88/62/62/351886262.db2.gz RNCBTXGDBKKPGJ-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)[C@@]1(C)CCO[C@@H]1C 260798465 351886753 /nfs/dbraw/zinc/88/67/53/351886753.db2.gz RGZZAWGCTQSBQG-APPZFPTMSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)c1cc(N)cc(F)c1O 260796711 351886859 /nfs/dbraw/zinc/88/68/59/351886859.db2.gz RCGNVWDQNKQTDL-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)c1cnn(C(C)(C)C)c1N 260900171 351886881 /nfs/dbraw/zinc/88/68/81/351886881.db2.gz NESTZTRNLGWXIP-UHFFFAOYSA-N 0 0 197.238 1.007 10 0 ADAERN CCOC(=O)[C@@]1(C)CCO[C@H]1C 260798477 351886936 /nfs/dbraw/zinc/88/69/36/351886936.db2.gz RGZZAWGCTQSBQG-CBAPKCEASA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)[C@]1(C)CCO[C@H]1C 260798490 351886965 /nfs/dbraw/zinc/88/69/65/351886965.db2.gz RGZZAWGCTQSBQG-IONNQARKSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)[C@]1(C)CCO[C@@H]1C 260798503 351887021 /nfs/dbraw/zinc/88/70/21/351887021.db2.gz RGZZAWGCTQSBQG-VXNVDRBHSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)c1cc(N)c(F)cc1O 260983634 351887259 /nfs/dbraw/zinc/88/72/59/351887259.db2.gz NVXVITLXRVNTFV-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)Cc1c(O)ccc(C)c1C 260943176 351887280 /nfs/dbraw/zinc/88/72/80/351887280.db2.gz KVJSBSPRLLUPAY-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN COC(=O)c1[nH]c(=S)sc1C 260997098 351887290 /nfs/dbraw/zinc/88/72/90/351887290.db2.gz RREZEYRBMYMWSY-UHFFFAOYSA-N 0 0 189.261 1.527 10 0 ADAERN COC(=O)c1c(O)ccc(C)c1F 260998605 351887306 /nfs/dbraw/zinc/88/73/06/351887306.db2.gz SDMJASWZTZMPTD-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CCOC(=O)c1cc(N)c(O)cc1F 260972161 351887320 /nfs/dbraw/zinc/88/73/20/351887320.db2.gz LFDWTYXXRYVWAF-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)c1cc(N)cc(O)c1C 260986384 351887352 /nfs/dbraw/zinc/88/73/52/351887352.db2.gz OPYOUGPPCUZUMZ-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN CCOC(=O)c1cc(C)c(O)c(N)c1 260986456 351887397 /nfs/dbraw/zinc/88/73/97/351887397.db2.gz ORJBTDPQZTYEEZ-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN COC(=O)c1cc(F)c(C)cc1O 261004757 351887468 /nfs/dbraw/zinc/88/74/68/351887468.db2.gz ULHQYQCNMDXAHD-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CCOC(=O)c1ccc(F)c(N)c1O 261002796 351887520 /nfs/dbraw/zinc/88/75/20/351887520.db2.gz TVRAJVJLBIQPAY-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)c1c(F)ccc(C)c1O 260993875 351887711 /nfs/dbraw/zinc/88/77/11/351887711.db2.gz QZDXVKLJQRNHCD-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CCOC(=O)c1ccc(O)c(N)c1C 260957951 351887746 /nfs/dbraw/zinc/88/77/46/351887746.db2.gz IEJBUSZJEBUDIQ-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)c1cc(O)cc(N)c1F 260999330 351887790 /nfs/dbraw/zinc/88/77/90/351887790.db2.gz SGWYRSHXWAAIDN-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1c(O)ccc(N)c1F 261046771 351888046 /nfs/dbraw/zinc/88/80/46/351888046.db2.gz DTMKBWATUSDLRK-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1cc(N)cc(O)c1C 261023479 351888074 /nfs/dbraw/zinc/88/80/74/351888074.db2.gz YSJUPUVLHGJMBP-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN COC(=O)c1c(C)ccc(F)c1O 261005918 351888091 /nfs/dbraw/zinc/88/80/91/351888091.db2.gz UUOMQRBNOAQJKO-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN COC(=O)Cc1cc(F)cc(C)c1O 261020310 351888105 /nfs/dbraw/zinc/88/81/05/351888105.db2.gz AHTUYFCMVKGAMJ-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CCOC(=O)c1ccc(F)c(N)c1C 261008675 351888152 /nfs/dbraw/zinc/88/81/52/351888152.db2.gz VPKAALIYIMEABW-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN COC(=O)[C@@]1(C)CC[C@H](F)C1 261042449 351888169 /nfs/dbraw/zinc/88/81/69/351888169.db2.gz CZSMMGOZSLMKTI-XPUUQOCRSA-N 0 0 160.188 1.688 10 0 ADAERN COC(=O)[C@]1(C)CC[C@@H](F)C1 261042442 351888173 /nfs/dbraw/zinc/88/81/73/351888173.db2.gz CZSMMGOZSLMKTI-HTRCEHHLSA-N 0 0 160.188 1.688 10 0 ADAERN COC(=O)[C@]1(C)CC[C@H](F)C1 261042444 351888199 /nfs/dbraw/zinc/88/81/99/351888199.db2.gz CZSMMGOZSLMKTI-POYBYMJQSA-N 0 0 160.188 1.688 10 0 ADAERN CCOC(=O)c1cc(N)c(O)cc1C 261014886 351888339 /nfs/dbraw/zinc/88/83/39/351888339.db2.gz XGVFQSVUMYWCMA-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)Cc1cc(N)cc(F)c1 261031324 351888344 /nfs/dbraw/zinc/88/83/44/351888344.db2.gz ZYADCKRDRULTMC-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN COC(=O)Cc1cc(C)c(O)cc1C 261037606 351888397 /nfs/dbraw/zinc/88/83/97/351888397.db2.gz CDQFLFATRGSUHW-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN COC(=O)[C@@]1(C)CC[C@@H](F)C1 261042447 351888430 /nfs/dbraw/zinc/88/84/30/351888430.db2.gz CZSMMGOZSLMKTI-SVRRBLITSA-N 0 0 160.188 1.688 10 0 ADAERN CCOC(=O)c1cc(N)c(O)c(F)c1 261012261 351888492 /nfs/dbraw/zinc/88/84/92/351888492.db2.gz WOXZUIMZXJADQF-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1cc(N)c(F)c(O)c1 261033246 351888517 /nfs/dbraw/zinc/88/85/17/351888517.db2.gz BGEDSXPEVIVEBM-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1c(O)ccc(N)c1C 261037599 351888521 /nfs/dbraw/zinc/88/85/21/351888521.db2.gz CDGSJKHPKOQUEP-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)c1c(N)ccc(F)c1O 261116704 351888854 /nfs/dbraw/zinc/88/88/54/351888854.db2.gz HJIPPHHUIOTNAS-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1cc(O)c(N)c(F)c1 261115433 351889040 /nfs/dbraw/zinc/88/90/40/351889040.db2.gz HBQBPCWWOOZWDH-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)Cc1cc(O)c(F)cc1C 261126789 351889199 /nfs/dbraw/zinc/88/91/99/351889199.db2.gz KGCISZPHLCQAJD-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CCOC(=O)c1c(F)ccc(N)c1O 261115186 351889236 /nfs/dbraw/zinc/88/92/36/351889236.db2.gz GZJKGYHQSBQBQW-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)Cc1cnn(C(C)C)c1 261137887 351889515 /nfs/dbraw/zinc/88/95/15/351889515.db2.gz NCLLHMUYDZOVIR-UHFFFAOYSA-N 0 0 182.223 1.180 10 0 ADAERN COC(=O)c1cc(F)c(O)cc1C 261162726 351889565 /nfs/dbraw/zinc/88/95/65/351889565.db2.gz WOERGTWJUIUIID-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN COC(=O)Cc1cc(O)c(C)cc1F 261145578 351889625 /nfs/dbraw/zinc/88/96/25/351889625.db2.gz QDUNUXUXQDFKRQ-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COC(=O)Cc1cc(F)c(O)cc1C 261138974 351889651 /nfs/dbraw/zinc/88/96/51/351889651.db2.gz NWDMJHRCZAGFTG-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COC(=O)[C@@H](N)c1ccsc1C 261161733 351889691 /nfs/dbraw/zinc/88/96/91/351889691.db2.gz WSXHJDOYVOGDRY-ZETCQYMHSA-N 0 0 185.248 1.229 10 0 ADAERN CCOC(=O)c1c(N)ccc(C)c1O 261151278 351889703 /nfs/dbraw/zinc/88/97/03/351889703.db2.gz SCOOTEWRQMDAQT-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)c1c(O)ccc(C)c1N 261164704 351889753 /nfs/dbraw/zinc/88/97/53/351889753.db2.gz XDOIPLPQXIGAAM-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)c1cc(C)c(N)c(O)c1 261156122 351889773 /nfs/dbraw/zinc/88/97/73/351889773.db2.gz UOXSNSDIDGLGQJ-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN COC(=O)Cc1cc(C)c(N)c(C)c1 261155397 351889777 /nfs/dbraw/zinc/88/97/77/351889777.db2.gz UGFNEWRYXNBBCT-UHFFFAOYSA-N 0 0 193.246 1.601 10 0 ADAERN CCOC(=O)c1cc(F)c(N)cc1O 261154001 351889799 /nfs/dbraw/zinc/88/97/99/351889799.db2.gz TXIFOVIAZMWOOG-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1c(N)ccc(O)c1F 261164713 351889808 /nfs/dbraw/zinc/88/98/08/351889808.db2.gz XDXFBKAJDJLAOI-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)[C@H](N)c1ccsc1C 261161724 351889872 /nfs/dbraw/zinc/88/98/72/351889872.db2.gz WSXHJDOYVOGDRY-SSDOTTSWSA-N 0 0 185.248 1.229 10 0 ADAERN COC(=O)c1nccn1C(F)(F)F 261233609 351890170 /nfs/dbraw/zinc/89/01/70/351890170.db2.gz VHTDZZRXUGYDGH-UHFFFAOYSA-N 0 0 194.112 1.146 10 0 ADAERN COC(=O)[C@@]1(C)CCC(F)(F)C1 261174611 351890233 /nfs/dbraw/zinc/89/02/33/351890233.db2.gz ZYNVHEWZQMUWDT-ZETCQYMHSA-N 0 0 178.178 1.985 10 0 ADAERN COC(=O)Cc1ccc(C)c(C)c1O 261210858 351890241 /nfs/dbraw/zinc/89/02/41/351890241.db2.gz HSOQPGVGZGOADN-UHFFFAOYSA-N 0 0 194.230 1.725 10 0 ADAERN CCOC(=O)c1cnc(F)cc1OC 261254331 351890345 /nfs/dbraw/zinc/89/03/45/351890345.db2.gz HWKLCOGBHSMAHU-UHFFFAOYSA-N 0 0 199.181 1.406 10 0 ADAERN CCOC(=O)c1c(F)ccc(O)c1N 261166057 351890372 /nfs/dbraw/zinc/89/03/72/351890372.db2.gz XKSYBJAXNYXEMN-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN COC(=O)c1cc(F)cc(C)c1OC 261213888 351890453 /nfs/dbraw/zinc/89/04/53/351890453.db2.gz JLLWAADGZVEKMJ-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN CCOC(=O)c1ncc2n1CCC2 261259707 351890507 /nfs/dbraw/zinc/89/05/07/351890507.db2.gz JXGDIDLSXSHCCM-UHFFFAOYSA-N 0 0 180.207 1.006 10 0 ADAERN COC(=O)c1cc(C)cc(F)c1OC 261221664 351890525 /nfs/dbraw/zinc/89/05/25/351890525.db2.gz NQNDSBKXOOZLMJ-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)[C@]1(C)CCC(F)(F)C1 261174609 351890605 /nfs/dbraw/zinc/89/06/05/351890605.db2.gz ZYNVHEWZQMUWDT-SSDOTTSWSA-N 0 0 178.178 1.985 10 0 ADAERN COC(=O)c1c(OC)ccnc1C 261278387 351890828 /nfs/dbraw/zinc/89/08/28/351890828.db2.gz SODGJBIBEBZPLH-UHFFFAOYSA-N 0 0 181.191 1.185 10 0 ADAERN Cc1c(F)cc(C=O)cc1C#N 261326052 351890913 /nfs/dbraw/zinc/89/09/13/351890913.db2.gz PNENAZRSNXBNPH-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN CCOC(=O)c1c(OC)ccnc1C 261286042 351891152 /nfs/dbraw/zinc/89/11/52/351891152.db2.gz XOULEXROMIRIDO-UHFFFAOYSA-N 0 0 195.218 1.575 10 0 ADAERN Cc1cc(F)c(C#N)cc1C=O 261327610 351891325 /nfs/dbraw/zinc/89/13/25/351891325.db2.gz RKDPIECWCBNDEL-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN Cn1ncnc1-c1cccc(F)c1N 261335980 351891536 /nfs/dbraw/zinc/89/15/36/351891536.db2.gz NNTAIRGYPYTWTN-UHFFFAOYSA-N 0 0 192.197 1.203 10 0 ADAERN c1ncc(-c2cncs2)o1 299890203 351893219 /nfs/dbraw/zinc/89/32/19/351893219.db2.gz VTDYAFGLZAGPGT-UHFFFAOYSA-N 0 0 152.178 1.798 10 0 ADAERN Cc1cc([C@H](O)C(C)C)nn1C 299805411 351892724 /nfs/dbraw/zinc/89/27/24/351892724.db2.gz MYTMBNWGDMLQHD-SECBINFHSA-N 0 0 168.240 1.418 10 0 ADAERN Cc1nn(C)c(Br)c1F 299805559 351892736 /nfs/dbraw/zinc/89/27/36/351892736.db2.gz UXPRMVLMBKGJNN-UHFFFAOYSA-N 0 0 193.019 1.630 10 0 ADAERN Cc1cc([C@@H](O)C(C)C)nn1C 299805412 351892749 /nfs/dbraw/zinc/89/27/49/351892749.db2.gz MYTMBNWGDMLQHD-VIFPVBQESA-N 0 0 168.240 1.418 10 0 ADAERN c1cnc(-c2cnco2)nc1 299890213 351893041 /nfs/dbraw/zinc/89/30/41/351893041.db2.gz VYWPVSFXEMMMJV-UHFFFAOYSA-N 0 0 147.137 1.132 10 0 ADAERN Cc1ccc2nccc(C(N)=O)c2c1 299890240 351893090 /nfs/dbraw/zinc/89/30/90/351893090.db2.gz WMPJTEXEAJBVQX-UHFFFAOYSA-N 0 0 186.214 1.642 10 0 ADAERN Cc1cn2c(N)cnc2c(Cl)n1 299890028 351893109 /nfs/dbraw/zinc/89/31/09/351893109.db2.gz SOBFMWOTLJDKFF-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN CCOc1ccc2nccn2c1 299890059 351893115 /nfs/dbraw/zinc/89/31/15/351893115.db2.gz SYGFTJKFDYBNBE-UHFFFAOYSA-N 0 0 162.192 1.733 10 0 ADAERN O=Cc1cc(-c2ccccn2)ccn1 299889838 351893193 /nfs/dbraw/zinc/89/31/93/351893193.db2.gz PLQCKHZNRUIUID-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN Cc1cnc(C)c([C@@H](C)O)n1 299889769 351893197 /nfs/dbraw/zinc/89/31/97/351893197.db2.gz OLBXZHYPNNMSAM-SSDOTTSWSA-N 0 0 152.197 1.147 10 0 ADAERN Cc1cc(N)c(N)nc1Cl 299889881 351893224 /nfs/dbraw/zinc/89/32/24/351893224.db2.gz QFELPKKIIWKVSF-UHFFFAOYSA-N 0 0 157.604 1.208 10 0 ADAERN c1ncc(-c2cnco2)cn1 299890323 351893229 /nfs/dbraw/zinc/89/32/29/351893229.db2.gz XRSKXYWDXNMHQA-UHFFFAOYSA-N 0 0 147.137 1.132 10 0 ADAERN CCOc1ccc2onc(N)c2c1 299889785 351893252 /nfs/dbraw/zinc/89/32/52/351893252.db2.gz OQGCYVUAEXWVNE-UHFFFAOYSA-N 0 0 178.191 1.809 10 0 ADAERN Cc1nc2cnc(Cl)cn2c1N 299889995 351893313 /nfs/dbraw/zinc/89/33/13/351893313.db2.gz SCQPGYYPNQXIAH-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN CN(C)c1cnc(Cl)c(Cl)n1 299889702 351893385 /nfs/dbraw/zinc/89/33/85/351893385.db2.gz NKUKAPYOBZPZGY-UHFFFAOYSA-N 0 0 192.049 1.849 10 0 ADAERN Cc1nc2c(C)nc(Cl)cn2c1N 299890299 351893455 /nfs/dbraw/zinc/89/34/55/351893455.db2.gz XJKFYHAIUPSLFW-UHFFFAOYSA-N 0 0 196.641 1.582 10 0 ADAERN Cc1nc2cc(F)ccn2c1N 299889795 351893471 /nfs/dbraw/zinc/89/34/71/351893471.db2.gz OUZDSDRZIOJHGU-UHFFFAOYSA-N 0 0 165.171 1.364 10 0 ADAERN Cc1ncc2c(Cl)n[nH]c2n1 299890278 351893483 /nfs/dbraw/zinc/89/34/83/351893483.db2.gz XBMQWOPLSVRHAJ-UHFFFAOYSA-N 0 0 168.587 1.315 10 0 ADAERN Cc1cnc(C)c([C@H](C)O)n1 299889770 351893491 /nfs/dbraw/zinc/89/34/91/351893491.db2.gz OLBXZHYPNNMSAM-ZETCQYMHSA-N 0 0 152.197 1.147 10 0 ADAERN Cc1ccc2nc(C)c(Cl)n2n1 299890057 351893492 /nfs/dbraw/zinc/89/34/92/351893492.db2.gz SXTJWDWJHMTITG-UHFFFAOYSA-N 0 0 181.626 2.000 10 0 ADAERN CN(C)c1nnc(Cl)s1 299889875 351893493 /nfs/dbraw/zinc/89/34/93/351893493.db2.gz QDFCFDHWLHCMFQ-UHFFFAOYSA-N 0 0 163.633 1.258 10 0 ADAERN c1cnc(-c2cnco2)cn1 299889794 351893495 /nfs/dbraw/zinc/89/34/95/351893495.db2.gz OUMNUEOKNPABBG-UHFFFAOYSA-N 0 0 147.137 1.132 10 0 ADAERN c1ncc(-c2cn[nH]c2)o1 299889922 351893503 /nfs/dbraw/zinc/89/35/03/351893503.db2.gz QXHHZCREXNUTPS-UHFFFAOYSA-N 0 0 135.126 1.065 10 0 ADAERN C[C@@H]1COCC[C@H]1NC(=O)C(C)(C)C 300846157 351897165 /nfs/dbraw/zinc/89/71/65/351897165.db2.gz KUUQLIQILCVKSF-RKDXNWHRSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@@H]1COCC[C@@H]1NC(=O)C(C)(C)C 300846154 351897344 /nfs/dbraw/zinc/89/73/44/351897344.db2.gz KUUQLIQILCVKSF-BDAKNGLRSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@@H]1COCC[C@@H]1NCC(F)(F)F 300897888 351898228 /nfs/dbraw/zinc/89/82/28/351898228.db2.gz VPZASVIANVBMBX-RQJHMYQMSA-N 0 0 197.200 1.563 10 0 ADAERN CC(C)CNC(=O)[C@@H]1CCOC[C@H]1C 300915067 351898249 /nfs/dbraw/zinc/89/82/49/351898249.db2.gz YSJOJTUVKQSLHV-NXEZZACHSA-N 0 0 199.294 1.431 10 0 ADAERN C[C@@H]1COCC[C@H]1Nc1ccccn1 300896820 351898315 /nfs/dbraw/zinc/89/83/15/351898315.db2.gz ILDXBGYYPRMSMS-NXEZZACHSA-N 0 0 192.262 1.919 10 0 ADAERN CC(C)CNC(=O)[C@H]1CCOC[C@H]1C 300915074 351898332 /nfs/dbraw/zinc/89/83/32/351898332.db2.gz YSJOJTUVKQSLHV-ZJUUUORDSA-N 0 0 199.294 1.431 10 0 ADAERN C[C@@H]1COCC[C@H]1NCC(F)(F)F 300897886 351898347 /nfs/dbraw/zinc/89/83/47/351898347.db2.gz VPZASVIANVBMBX-RNFRBKRXSA-N 0 0 197.200 1.563 10 0 ADAERN CC(C)CNC(=O)[C@H]1CCOC[C@@H]1C 300915070 351898350 /nfs/dbraw/zinc/89/83/50/351898350.db2.gz 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351899943 /nfs/dbraw/zinc/89/99/43/351899943.db2.gz AXDPIMWKQGKVGU-MRVPVSSYSA-N 0 0 169.268 1.803 10 0 ADAERN C[C@H](CF)NC(=O)[C@@H]1[C@@H](C)C1(F)F 306147776 351899957 /nfs/dbraw/zinc/89/99/57/351899957.db2.gz ACHIUBFSESLPHR-PBXRRBTRSA-N 0 0 195.184 1.362 10 0 ADAERN Cc1nc([C@@H]2CCCN2C)no1 306147651 351899998 /nfs/dbraw/zinc/89/99/98/351899998.db2.gz ALWLWEJZUMSIGW-ZETCQYMHSA-N 0 0 167.212 1.145 10 0 ADAERN CC(C)[C@H](C)C1CCC(=N)N=N1 306147718 351900058 /nfs/dbraw/zinc/90/00/58/351900058.db2.gz AUHWSZFRQFAPJM-ZETCQYMHSA-N 0 0 167.256 1.786 10 0 ADAERN CC(C)[C@@H](C)C1CCC(=N)N=N1 306147716 351900118 /nfs/dbraw/zinc/90/01/18/351900118.db2.gz AUHWSZFRQFAPJM-SSDOTTSWSA-N 0 0 167.256 1.786 10 0 ADAERN CC(C)=CCN(C)c1cnn(C)c1 306153632 351900680 /nfs/dbraw/zinc/90/06/80/351900680.db2.gz BBLOMRNPRPTHNU-UHFFFAOYSA-N 0 0 179.267 1.823 10 0 ADAERN CC(C)CC(=O)N[C@@H]1C[C@H]1C 306153175 351900693 /nfs/dbraw/zinc/90/06/93/351900693.db2.gz DQJUUGDVIKAKNB-HTQZYQBOSA-N 0 0 155.241 1.557 10 0 ADAERN 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351901897 /nfs/dbraw/zinc/90/18/97/351901897.db2.gz MEQNXEDIQODASO-IQJOONFLSA-N 0 0 179.263 1.703 10 0 ADAERN Cc1cc(N[C@@H]2CC[C@@H]2C)n(C)n1 306156834 351901949 /nfs/dbraw/zinc/90/19/49/351901949.db2.gz LGDILBWBWJISBX-IONNQARKSA-N 0 0 179.267 1.939 10 0 ADAERN Cc1cc(N[C@H]2CC[C@@H]2C)n(C)n1 306156832 351902016 /nfs/dbraw/zinc/90/20/16/351902016.db2.gz LGDILBWBWJISBX-CBAPKCEASA-N 0 0 179.267 1.939 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C1(F)CCCC1 306156896 351902121 /nfs/dbraw/zinc/90/21/21/351902121.db2.gz LLWGDAYUVOHEOU-SFYZADRCSA-N 0 0 185.242 1.793 10 0 ADAERN Cc1cc(N[C@@H]2CC[C@H]2C)n(C)n1 306156836 351902125 /nfs/dbraw/zinc/90/21/25/351902125.db2.gz LGDILBWBWJISBX-VXNVDRBHSA-N 0 0 179.267 1.939 10 0 ADAERN C[C@H]1C[C@@H](C)N1Cc1ccn(C)n1 306156965 351902497 /nfs/dbraw/zinc/90/24/97/351902497.db2.gz LQZZNUOUWWCWTG-DTORHVGOSA-N 0 0 179.267 1.403 10 0 ADAERN C[C@]1(O)CCC[C@H]1Sc1ncc[nH]1 306157634 351902529 /nfs/dbraw/zinc/90/25/29/351902529.db2.gz NNXBUQZQQASQAP-APPZFPTMSA-N 0 0 198.291 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198.653 1.528 10 0 ADAERN c1cnc(N2CCCSCC2)cn1 306193111 351905736 /nfs/dbraw/zinc/90/57/36/351905736.db2.gz CLYUIKKHRJYVNU-UHFFFAOYSA-N 0 0 195.291 1.420 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cc(F)c[nH]1 306192655 351906093 /nfs/dbraw/zinc/90/60/93/351906093.db2.gz BUSCROMQADFWKN-IYSWYEEDSA-N 0 0 182.198 1.292 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1CCCC1 306198643 351906488 /nfs/dbraw/zinc/90/64/88/351906488.db2.gz YBQRKSYFPMAJMX-VXNVDRBHSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1csnn1 306198814 351906506 /nfs/dbraw/zinc/90/65/06/351906506.db2.gz YWXYDLHCUFUUCQ-PHDIDXHHSA-N 0 0 197.263 1.161 10 0 ADAERN Cc1nc(N)nc(NCC(C)(C)C)n1 306213302 351907685 /nfs/dbraw/zinc/90/76/85/351907685.db2.gz UHUHWHNPUNBQLI-UHFFFAOYSA-N 0 0 195.270 1.220 10 0 ADAERN O=C(c1cc[nH]c1)N1CC=CCC1 306209984 351907925 /nfs/dbraw/zinc/90/79/25/351907925.db2.gz BSEFTOMEYFWYRC-UHFFFAOYSA-N 0 0 176.219 1.417 10 0 ADAERN Cc1nc(N)nc(N[C@H](C)C(C)C)n1 306214225 351907966 /nfs/dbraw/zinc/90/79/66/351907966.db2.gz WZFCOZBZAIIDLN-ZCFIWIBFSA-N 0 0 195.270 1.219 10 0 ADAERN Cc1nc(N)nc(N[C@@H](C)C(C)C)n1 306214223 351908021 /nfs/dbraw/zinc/90/80/21/351908021.db2.gz WZFCOZBZAIIDLN-LURJTMIESA-N 0 0 195.270 1.219 10 0 ADAERN CC[C@@H](C)NC(=O)c1occc1N 306215790 351908733 /nfs/dbraw/zinc/90/87/33/351908733.db2.gz BFLVAATXWNSTRJ-ZCFIWIBFSA-N 0 0 182.223 1.390 10 0 ADAERN CC[C@H]1OCCC[C@H]1C(=O)N(C)C 306221292 351909184 /nfs/dbraw/zinc/90/91/84/351909184.db2.gz JDPRTGPUKPFNND-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)OC1CCOCC1 306221263 351909324 /nfs/dbraw/zinc/90/93/24/351909324.db2.gz IYZDKLPRDKMHFF-VXNVDRBHSA-N 0 0 184.235 1.365 10 0 ADAERN CC1(OC(=O)C(F)F)CCC1 306221174 351909354 /nfs/dbraw/zinc/90/93/54/351909354.db2.gz PAJQFLMECJCPAF-UHFFFAOYSA-N 0 0 164.151 1.737 10 0 ADAERN CC[C@@H]1OCCC[C@H]1C(=O)N(C)C 306221289 351909401 /nfs/dbraw/zinc/90/94/01/351909401.db2.gz JDPRTGPUKPFNND-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN CC[C@H]1OCCC[C@@H]1C(=O)N(C)C 306221290 351909440 /nfs/dbraw/zinc/90/94/40/351909440.db2.gz JDPRTGPUKPFNND-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN CC[C@@H]1OCCC[C@@H]1C(=O)N(C)C 306221291 351909472 /nfs/dbraw/zinc/90/94/72/351909472.db2.gz JDPRTGPUKPFNND-IUCAKERBSA-N 0 0 185.267 1.280 10 0 ADAERN C[C@@H]1C[C@@H](C)N1c1ncc(F)cn1 306222006 351909978 /nfs/dbraw/zinc/90/99/78/351909978.db2.gz QGRPPHLHJXXVLW-RNFRBKRXSA-N 0 0 181.214 1.603 10 0 ADAERN C[C@@H]1CC[C@H](C(=O)NCC2CC2)O1 306229851 351910457 /nfs/dbraw/zinc/91/04/57/351910457.db2.gz JYGVUNVOSSQXQZ-VXNVDRBHSA-N 0 0 183.251 1.080 10 0 ADAERN CCON1CCC(=O)[C@H](C)[C@@H]1C 306226821 351910483 /nfs/dbraw/zinc/91/04/83/351910483.db2.gz GROYURIKRJSPIX-SFYZADRCSA-N 0 0 171.240 1.237 10 0 ADAERN Cc1cc(=S)n([C@H]2CCOC2)[nH]1 306226636 351910514 /nfs/dbraw/zinc/91/05/14/351910514.db2.gz GUPWYFHHBHTPFF-ZETCQYMHSA-N 0 0 184.264 1.442 10 0 ADAERN CCON1CCC(=O)[C@H](C)[C@H]1C 306226819 351910548 /nfs/dbraw/zinc/91/05/48/351910548.db2.gz 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/nfs/dbraw/zinc/91/06/85/351910685.db2.gz GROYURIKRJSPIX-JGVFFNPUSA-N 0 0 171.240 1.237 10 0 ADAERN C[C@@H]1C[C@H](Cn2ccnc2)CCO1 306232659 351911210 /nfs/dbraw/zinc/91/12/10/351911210.db2.gz AMZUJLRSCMNBDR-NXEZZACHSA-N 0 0 180.251 1.698 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C(C)(C)C1CC1 306231227 351911221 /nfs/dbraw/zinc/91/12/21/351911221.db2.gz BHOIZKWFKRPACZ-APPZFPTMSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C(C)(C)C1CC1 306231258 351911463 /nfs/dbraw/zinc/91/14/63/351911463.db2.gz BHOIZKWFKRPACZ-VXNVDRBHSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C[C@@H](Cn2ccnc2)CCO1 306232670 351911488 /nfs/dbraw/zinc/91/14/88/351911488.db2.gz AMZUJLRSCMNBDR-ZJUUUORDSA-N 0 0 180.251 1.698 10 0 ADAERN c1cnnc(S[C@H]2CCOC2)c1 306233892 351911534 /nfs/dbraw/zinc/91/15/34/351911534.db2.gz LCAUSBSFNJXRIL-ZETCQYMHSA-N 0 0 182.248 1.358 10 0 ADAERN CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[C@@H]1O 306249434 351912166 /nfs/dbraw/zinc/91/21/66/351912166.db2.gz DQEFMJCDAHYHDR-VGMNWLOBSA-N 0 0 197.278 1.062 10 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/nfs/dbraw/zinc/91/51/86/351915186.db2.gz RSCTYGDVPCLMTA-UHFFFAOYSA-N 0 0 193.069 1.627 10 0 ADAERN CC1(C)CN(c2cc(Cl)ncn2)C1 306279055 351915192 /nfs/dbraw/zinc/91/51/92/351915192.db2.gz HCADYHUWJYXJMV-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN Cc1ccsc1C(=O)N(C)C#N 306279052 351915307 /nfs/dbraw/zinc/91/53/07/351915307.db2.gz XRDDZRDVTVYKMR-UHFFFAOYSA-N 0 0 180.232 1.610 10 0 ADAERN c1cnn(CC[C@H]2CCCCO2)c1 306286149 351915694 /nfs/dbraw/zinc/91/56/94/351915694.db2.gz DFAHXWITCATEPW-SNVBAGLBSA-N 0 0 180.251 1.842 10 0 ADAERN CC(C)=Cc1nc(N(C)C)no1 306284028 351915729 /nfs/dbraw/zinc/91/57/29/351915729.db2.gz ISFRBZHYQKULPI-UHFFFAOYSA-N 0 0 167.212 1.559 10 0 ADAERN CC(C)=CCNc1nc(C)nc(N)n1 306282434 351915776 /nfs/dbraw/zinc/91/57/76/351915776.db2.gz ANZFFWSENDQZPB-UHFFFAOYSA-N 0 0 193.254 1.140 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CC1CC1 306287300 351916255 /nfs/dbraw/zinc/91/62/55/351916255.db2.gz FNFDVOQFOUZZIM-HTRCEHHLSA-N 0 0 153.225 1.311 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@H]1c1ccoc1 306286979 351916340 /nfs/dbraw/zinc/91/63/40/351916340.db2.gz YELSLYCKIOFQED-WCBMZHEXSA-N 0 0 179.219 1.867 10 0 ADAERN CC[C@@]1(C)C(=O)N[C@@H]1c1ccoc1 306286977 351916371 /nfs/dbraw/zinc/91/63/71/351916371.db2.gz YELSLYCKIOFQED-PSASIEDQSA-N 0 0 179.219 1.867 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1c1ccoc1 306286980 351916399 /nfs/dbraw/zinc/91/63/99/351916399.db2.gz YELSLYCKIOFQED-WPRPVWTQSA-N 0 0 179.219 1.867 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1c1ccoc1 306286978 351916464 /nfs/dbraw/zinc/91/64/64/351916464.db2.gz YELSLYCKIOFQED-SCZZXKLOSA-N 0 0 179.219 1.867 10 0 ADAERN CC[C@@H](C)Cn1ncsc1=O 306289688 351917205 /nfs/dbraw/zinc/91/72/05/351917205.db2.gz OPBBTDRSDJTLEU-ZCFIWIBFSA-N 0 0 172.253 1.351 10 0 ADAERN Cc1c[nH]cc1C(=O)N1CCSC1 306288413 351917208 /nfs/dbraw/zinc/91/72/08/351917208.db2.gz MQTZUFHQTZCPBK-UHFFFAOYSA-N 0 0 196.275 1.470 10 0 ADAERN CC(=O)N[C@H]1CCCC1(F)F 306288332 351917223 /nfs/dbraw/zinc/91/72/23/351917223.db2.gz MLIBVYYRFFNNGK-LURJTMIESA-N 0 0 163.167 1.310 10 0 ADAERN CC(=O)N[C@@H]1CCCC1(F)F 306288333 351917281 /nfs/dbraw/zinc/91/72/81/351917281.db2.gz MLIBVYYRFFNNGK-ZCFIWIBFSA-N 0 0 163.167 1.310 10 0 ADAERN C[C@@H]1C[C@H](Cn2cccn2)CCO1 306290450 351917647 /nfs/dbraw/zinc/91/76/47/351917647.db2.gz PRQPAVAFJCSVHK-NXEZZACHSA-N 0 0 180.251 1.698 10 0 ADAERN C[C@@H]1C[C@@H](Cn2cccn2)CCO1 306290453 351917655 /nfs/dbraw/zinc/91/76/55/351917655.db2.gz PRQPAVAFJCSVHK-ZJUUUORDSA-N 0 0 180.251 1.698 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)NCC(F)F 306296060 351917964 /nfs/dbraw/zinc/91/79/64/351917964.db2.gz WSRRKHRMTVXKOT-PHDIDXHHSA-N 0 0 192.209 1.349 10 0 ADAERN Cc1cncc(N[C@@H]2CC[C@H]2C)n1 306294063 351917979 /nfs/dbraw/zinc/91/79/79/351917979.db2.gz VUPOTUGAUDSANA-VXNVDRBHSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cncc(N[C@@H]2CC[C@@H]2C)n1 306294062 351918008 /nfs/dbraw/zinc/91/80/08/351918008.db2.gz VUPOTUGAUDSANA-IONNQARKSA-N 0 0 177.251 1.995 10 0 ADAERN CCc1nc([C@H]2CCCO2)no1 306294292 351918049 /nfs/dbraw/zinc/91/80/49/351918049.db2.gz VWIMXYZFMWRGGZ-ZCFIWIBFSA-N 0 0 168.196 1.484 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cccnc1 306296815 351918057 /nfs/dbraw/zinc/91/80/57/351918057.db2.gz CTHAFLFSDNUPSV-VXNVDRBHSA-N 0 0 176.219 1.220 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)NCC(F)F 306296064 351918073 /nfs/dbraw/zinc/91/80/73/351918073.db2.gz WSRRKHRMTVXKOT-RITPCOANSA-N 0 0 192.209 1.349 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccsc1 306297734 351918076 /nfs/dbraw/zinc/91/80/76/351918076.db2.gz XNYYYRFXIGPRPY-HTRCEHHLSA-N 0 0 181.260 1.886 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1ccsc1 306297736 351918083 /nfs/dbraw/zinc/91/80/83/351918083.db2.gz XNYYYRFXIGPRPY-SVRRBLITSA-N 0 0 181.260 1.886 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccccn1 306296201 351918105 /nfs/dbraw/zinc/91/81/05/351918105.db2.gz CNXXVLODBZADPQ-VXNVDRBHSA-N 0 0 176.219 1.220 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N1CC(F)C1 306313935 351918984 /nfs/dbraw/zinc/91/89/84/351918984.db2.gz PAFHKXIAIANBLP-APPZFPTMSA-N 0 0 185.242 1.603 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)N1CC(F)C1 306313938 351919019 /nfs/dbraw/zinc/91/90/19/351919019.db2.gz PAFHKXIAIANBLP-VXNVDRBHSA-N 0 0 185.242 1.603 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1csnn1 306314419 351919647 /nfs/dbraw/zinc/91/96/47/351919647.db2.gz PTBBCCZPPGLHIK-RITPCOANSA-N 0 0 197.263 1.066 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1csnn1 306314420 351919649 /nfs/dbraw/zinc/91/96/49/351919649.db2.gz PTBBCCZPPGLHIK-WDSKDSINSA-N 0 0 197.263 1.066 10 0 ADAERN Cc1ncc(C(=O)C(C)C)n1C 306316554 351920086 /nfs/dbraw/zinc/92/00/86/351920086.db2.gz YFZDYDIJWAUBQU-UHFFFAOYSA-N 0 0 166.224 1.567 10 0 ADAERN C[C@@H]1C[C@H]1Nc1nnc(C2CC2)o1 306317791 351920203 /nfs/dbraw/zinc/92/02/03/351920203.db2.gz TZAFJUYEGSIDOZ-IYSWYEEDSA-N 0 0 179.223 1.767 10 0 ADAERN Cc1nnc(N2CCCSCC2)o1 306316518 351920242 /nfs/dbraw/zinc/92/02/42/351920242.db2.gz RKXWPHFINSMJMW-UHFFFAOYSA-N 0 0 199.279 1.321 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)N1CC(F)C1 306336055 351921050 /nfs/dbraw/zinc/92/10/50/351921050.db2.gz GVPKRKOGFKMNNR-HTRCEHHLSA-N 0 0 186.230 1.148 10 0 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306699995 351956853 /nfs/dbraw/zinc/95/68/53/351956853.db2.gz YBLXPGQNNAQYTD-RKDXNWHRSA-N 0 0 167.252 1.653 10 0 ADAERN CC(C)C(=O)N1C[C@@H]2CCC[C@@H]21 306699994 351956944 /nfs/dbraw/zinc/95/69/44/351956944.db2.gz YBLXPGQNNAQYTD-IUCAKERBSA-N 0 0 167.252 1.653 10 0 ADAERN c1cn(CC[C@@H]2CCCCO2)cn1 306695512 351956974 /nfs/dbraw/zinc/95/69/74/351956974.db2.gz VDERVGCTUWCNEK-JTQLQIEISA-N 0 0 180.251 1.842 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cnns1 306699228 351957032 /nfs/dbraw/zinc/95/70/32/351957032.db2.gz XVAVSDKOAAOLKB-PHDIDXHHSA-N 0 0 197.263 1.161 10 0 ADAERN c1cn(CC[C@H]2CCCCO2)cn1 306695513 351957040 /nfs/dbraw/zinc/95/70/40/351957040.db2.gz VDERVGCTUWCNEK-SNVBAGLBSA-N 0 0 180.251 1.842 10 0 ADAERN C[C@@H]1CSCCN1C(=O)C1=CCC1 306693875 351957044 /nfs/dbraw/zinc/95/70/44/351957044.db2.gz UIDZSVGELGCOBH-MRVPVSSYSA-N 0 0 197.303 1.671 10 0 ADAERN c1cnnc(SCc2cn[nH]c2)c1 306713953 351958112 /nfs/dbraw/zinc/95/81/12/351958112.db2.gz QIDTZABCPKFHAX-UHFFFAOYSA-N 0 0 192.247 1.492 10 0 ADAERN C[C@@H]1CSC[C@]12CC(=O)NC2(C)C 306718690 351958531 /nfs/dbraw/zinc/95/85/31/351958531.db2.gz JDCLZRFCXQUWGO-GMSGAONNSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)N1CCC1 306720198 351958582 /nfs/dbraw/zinc/95/85/82/351958582.db2.gz ZBNXTFUAHHIGED-RKDXNWHRSA-N 0 0 167.252 1.655 10 0 ADAERN C[C@H]1CSC[C@@]12CC(=O)NC2(C)C 306718693 351958595 /nfs/dbraw/zinc/95/85/95/351958595.db2.gz JDCLZRFCXQUWGO-XVKPBYJWSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC1 306720195 351958598 /nfs/dbraw/zinc/95/85/98/351958598.db2.gz ZBNXTFUAHHIGED-BDAKNGLRSA-N 0 0 167.252 1.655 10 0 ADAERN C[C@H]1CSC[C@]12CC(=O)NC2(C)C 306718691 351958632 /nfs/dbraw/zinc/95/86/32/351958632.db2.gz JDCLZRFCXQUWGO-OIBJUYFYSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1CSC[C@@]12CC(=O)NC2(C)C 306718692 351958637 /nfs/dbraw/zinc/95/86/37/351958637.db2.gz JDCLZRFCXQUWGO-XCBNKYQSSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1nncs1 306721012 351959309 /nfs/dbraw/zinc/95/93/09/351959309.db2.gz OAOBVKNDIHPDJS-RITPCOANSA-N 0 0 169.253 1.749 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1nncs1 306721011 351959417 /nfs/dbraw/zinc/95/94/17/351959417.db2.gz OAOBVKNDIHPDJS-PHDIDXHHSA-N 0 0 169.253 1.749 10 0 ADAERN COc1cc(C)c(N)cc1C(C)=O 306732172 351959866 /nfs/dbraw/zinc/95/98/66/351959866.db2.gz HCMLYEPKONEMKV-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN C[C@H]1CN[C@@H](c2cncnc2)S1 306741027 351960128 /nfs/dbraw/zinc/96/01/28/351960128.db2.gz CYDYJZPBRPWTIB-POYBYMJQSA-N 0 0 181.264 1.200 10 0 ADAERN Clc1n[nH]c(CCC2CC2)n1 306741264 351960189 /nfs/dbraw/zinc/96/01/89/351960189.db2.gz DDZXIRCIFXVKIG-UHFFFAOYSA-N 0 0 171.631 1.801 10 0 ADAERN C[C@@H]1CN[C@H](c2cncnc2)S1 306741028 351960285 /nfs/dbraw/zinc/96/02/85/351960285.db2.gz CYDYJZPBRPWTIB-SVRRBLITSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@H]1CN[C@H](c2cncnc2)S1 306741029 351960324 /nfs/dbraw/zinc/96/03/24/351960324.db2.gz CYDYJZPBRPWTIB-XPUUQOCRSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@@H]1CN[C@@H](c2cncnc2)S1 306741026 351960465 /nfs/dbraw/zinc/96/04/65/351960465.db2.gz CYDYJZPBRPWTIB-HTRCEHHLSA-N 0 0 181.264 1.200 10 0 ADAERN c1nnsc1CN1CCCCC1 306746643 351960952 /nfs/dbraw/zinc/96/09/52/351960952.db2.gz FBWIFPQGRRMWFG-UHFFFAOYSA-N 0 0 183.280 1.524 10 0 ADAERN C[C@H]1C[C@@H](C)[C@H]([NH3+])C[C@@H]1C(=O)[O-] 306750986 351961470 /nfs/dbraw/zinc/96/14/70/351961470.db2.gz KZOVNYPJFBJIRU-FKSUSPILSA-N 0 0 171.240 1.081 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1NC(=O)NC1CC1 306752832 351961499 /nfs/dbraw/zinc/96/14/99/351961499.db2.gz LUNDCXRZKWKNLO-BKPPORCPSA-N 0 0 198.266 1.014 10 0 ADAERN C[C@@H]1C[C@@H](NC(=O)NC2CC2)[C@@H](C)O1 306752834 351961506 /nfs/dbraw/zinc/96/15/06/351961506.db2.gz LUNDCXRZKWKNLO-ZXFLCMHBSA-N 0 0 198.266 1.014 10 0 ADAERN Cc1cccnc1NC1COC1 306750658 351961542 /nfs/dbraw/zinc/96/15/42/351961542.db2.gz GVMOGHSHEWGXPD-UHFFFAOYSA-N 0 0 164.208 1.201 10 0 ADAERN C[C@H]1C[C@@H](C)[C@H]([NH3+])C[C@H]1C(=O)[O-] 306750987 351961604 /nfs/dbraw/zinc/96/16/04/351961604.db2.gz KZOVNYPJFBJIRU-LXGUWJNJSA-N 0 0 171.240 1.081 10 0 ADAERN C[C@H]1C[C@@H](C)[C@@H]([NH3+])C[C@H]1C(=O)[O-] 306750988 351961609 /nfs/dbraw/zinc/96/16/09/351961609.db2.gz KZOVNYPJFBJIRU-OSMVPFSASA-N 0 0 171.240 1.081 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NC1CC1 306752833 351961611 /nfs/dbraw/zinc/96/16/11/351961611.db2.gz LUNDCXRZKWKNLO-FJXKBIBVSA-N 0 0 198.266 1.014 10 0 ADAERN OCCCCSCC1CC1 306751054 351961642 /nfs/dbraw/zinc/96/16/42/351961642.db2.gz HGCSIPHFTYQSDB-UHFFFAOYSA-N 0 0 160.282 1.902 10 0 ADAERN CC(C)=CCn1cc(F)ccc1=O 306752503 351961657 /nfs/dbraw/zinc/96/16/57/351961657.db2.gz AFEXWJFJLZHPMM-UHFFFAOYSA-N 0 0 181.210 1.954 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)NC2CC2)[C@@H](C)O1 306752479 351961691 /nfs/dbraw/zinc/96/16/91/351961691.db2.gz LUNDCXRZKWKNLO-BHNWBGBOSA-N 0 0 198.266 1.014 10 0 ADAERN C[C@H]1C[C@@H](C)[C@@H]([NH3+])C[C@@H]1C(=O)[O-] 306750989 351961745 /nfs/dbraw/zinc/96/17/45/351961745.db2.gz KZOVNYPJFBJIRU-YWIQKCBGSA-N 0 0 171.240 1.081 10 0 ADAERN Cc1ccc(=O)[nH]c1Br 306753776 351962253 /nfs/dbraw/zinc/96/22/53/351962253.db2.gz MLLTUGLQVSNDQK-UHFFFAOYSA-N 0 0 188.024 1.858 10 0 ADAERN CCC(=O)Nc1cc(Cl)[nH]n1 306753850 351962311 /nfs/dbraw/zinc/96/23/11/351962311.db2.gz JQHXTSDWGYXYAB-UHFFFAOYSA-N 0 0 173.603 1.412 10 0 ADAERN NCc1nc(/C=C/c2ccco2)no1 306753729 351962360 /nfs/dbraw/zinc/96/23/60/351962360.db2.gz MIPMXROBZVYWBV-ONEGZZNKSA-N 0 0 191.190 1.292 10 0 ADAERN CC[C@@H]1[C@@H](C)NC(=O)[C@@H]1C 306756046 351962692 /nfs/dbraw/zinc/96/26/92/351962692.db2.gz QVPUHCYKIINMJB-QYNIQEEDSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@H]1[C@H](C)C(=O)N[C@@H]1C 306756049 351962901 /nfs/dbraw/zinc/96/29/01/351962901.db2.gz QVPUHCYKIINMJB-XVMARJQXSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@@H]1[C@H](C)NC(=O)[C@H]1C 306756045 351962986 /nfs/dbraw/zinc/96/29/86/351962986.db2.gz QVPUHCYKIINMJB-ACZMJKKPSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@@H]1[C@H](C)NC(=O)[C@@H]1C 306756048 351963003 /nfs/dbraw/zinc/96/30/03/351963003.db2.gz QVPUHCYKIINMJB-VQVTYTSYSA-N 0 0 141.214 1.167 10 0 ADAERN CC1(C)CC2(CC(=O)NC(=O)C2)C1 306776737 351963964 /nfs/dbraw/zinc/96/39/64/351963964.db2.gz ZRRMBOJNLOUMLF-UHFFFAOYSA-N 0 0 181.235 1.229 10 0 ADAERN CC(C)CNC(=O)C1=CCC1 306762649 351963555 /nfs/dbraw/zinc/96/35/55/351963555.db2.gz UDGNWRURWRWWRK-UHFFFAOYSA-N 0 0 153.225 1.479 10 0 ADAERN Cc1noc(N[C@@H]2CC[C@H]2C)n1 306777075 351963883 /nfs/dbraw/zinc/96/38/83/351963883.db2.gz MSQPEYJFOYBCCB-IYSWYEEDSA-N 0 0 167.212 1.588 10 0 ADAERN CCC1(Nc2nc(N)ns2)CC1 306776715 351963886 /nfs/dbraw/zinc/96/38/86/351963886.db2.gz ZQIPYIYTZZDRER-UHFFFAOYSA-N 0 0 184.268 1.475 10 0 ADAERN Cc1cscc1-n1cc[nH]c1=O 306776754 351963890 /nfs/dbraw/zinc/96/38/90/351963890.db2.gz ZTMQPHZLGJZING-UHFFFAOYSA-N 0 0 180.232 1.536 10 0 ADAERN Cc1noc(N[C@H]2CC[C@@H]2C)n1 306777073 351963921 /nfs/dbraw/zinc/96/39/21/351963921.db2.gz MSQPEYJFOYBCCB-FSPLSTOPSA-N 0 0 167.212 1.588 10 0 ADAERN CC(C)[C@]1(C)C[C@@H]1NC#N 306776933 351963930 /nfs/dbraw/zinc/96/39/30/351963930.db2.gz MQYOHSGMDCLPOR-YUMQZZPRSA-N 0 0 138.214 1.492 10 0 ADAERN CC(C)[C@@]1(C)C[C@@H]1NC#N 306776931 351963999 /nfs/dbraw/zinc/96/39/99/351963999.db2.gz MQYOHSGMDCLPOR-JGVFFNPUSA-N 0 0 138.214 1.492 10 0 ADAERN Cc1noc(N[C@H]2CC[C@H]2C)n1 306777077 351964035 /nfs/dbraw/zinc/96/40/35/351964035.db2.gz MSQPEYJFOYBCCB-VDTYLAMSSA-N 0 0 167.212 1.588 10 0 ADAERN CC[C@]1(C)C[C@@H]1NC(=O)OC 306777137 351964077 /nfs/dbraw/zinc/96/40/77/351964077.db2.gz MVLLUAGCTXEYEK-POYBYMJQSA-N 0 0 157.213 1.531 10 0 ADAERN Cn1ccc(N[C@@H]2CC[C@H]3C[C@H]32)n1 306776800 351964164 /nfs/dbraw/zinc/96/41/64/351964164.db2.gz ZWJXNMCBBUITQV-DJLDLDEBSA-N 0 0 177.251 1.631 10 0 ADAERN Cc1noc(N[C@@H]2CC[C@@H]2C)n1 306777071 351964168 /nfs/dbraw/zinc/96/41/68/351964168.db2.gz MSQPEYJFOYBCCB-CAHLUQPWSA-N 0 0 167.212 1.588 10 0 ADAERN CC[C@@]1(C)C[C@H]1NC(=O)OC 306777138 351964408 /nfs/dbraw/zinc/96/44/08/351964408.db2.gz MVLLUAGCTXEYEK-SVRRBLITSA-N 0 0 157.213 1.531 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)N1CCCSCC1 306780573 351964419 /nfs/dbraw/zinc/96/44/19/351964419.db2.gz DBURBGKQSHBEGQ-RKDXNWHRSA-N 0 0 199.319 1.608 10 0 ADAERN C[C@H]1C(=O)NC[C@]1(C)CC1CCC1 306777395 351964529 /nfs/dbraw/zinc/96/45/29/351964529.db2.gz NERNTTNWDDPHNZ-KWQFWETISA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H]1C[C@@H](C)N1Cc1ncccn1 306779589 351964580 /nfs/dbraw/zinc/96/45/80/351964580.db2.gz XPJGLNBLWORXNS-RKDXNWHRSA-N 0 0 177.251 1.459 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1cccn1C 306779847 351964594 /nfs/dbraw/zinc/96/45/94/351964594.db2.gz ZGVFZECSBWFWQP-SFYZADRCSA-N 0 0 178.235 1.163 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cccn1C 306779845 351964666 /nfs/dbraw/zinc/96/46/66/351964666.db2.gz ZGVFZECSBWFWQP-HTQZYQBOSA-N 0 0 178.235 1.163 10 0 ADAERN C[C@@]1(c2noc(N)n2)CCCS1 306777159 351964727 /nfs/dbraw/zinc/96/47/27/351964727.db2.gz MWVBTCLBTCLTTN-ZETCQYMHSA-N 0 0 185.252 1.394 10 0 ADAERN C[C@@H](N(C)c1cccnn1)C(C)(C)O 306777312 351964777 /nfs/dbraw/zinc/96/47/77/351964777.db2.gz NIDJMSRZSRVJCF-MRVPVSSYSA-N 0 0 195.266 1.072 10 0 ADAERN CC[C@@]1(C)C[C@@H]1NC(=O)OC 306777139 351964792 /nfs/dbraw/zinc/96/47/92/351964792.db2.gz MVLLUAGCTXEYEK-XPUUQOCRSA-N 0 0 157.213 1.531 10 0 ADAERN C[C@]1(c2noc(N)n2)CCCS1 306777158 351964826 /nfs/dbraw/zinc/96/48/26/351964826.db2.gz MWVBTCLBTCLTTN-SSDOTTSWSA-N 0 0 185.252 1.394 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]1(C)CC1CCC1 306777397 351964834 /nfs/dbraw/zinc/96/48/34/351964834.db2.gz NERNTTNWDDPHNZ-LDYMZIIASA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H](N(C)c1cccnn1)C(C)(C)O 306777316 351964876 /nfs/dbraw/zinc/96/48/76/351964876.db2.gz NIDJMSRZSRVJCF-QMMMGPOBSA-N 0 0 195.266 1.072 10 0 ADAERN C[C@@H]1C(=O)NC[C@]1(C)CC1CCC1 306777392 351964914 /nfs/dbraw/zinc/96/49/14/351964914.db2.gz NERNTTNWDDPHNZ-KCJUWKMLSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H]1CC[C@H]1NCc1csnn1 306795901 351965744 /nfs/dbraw/zinc/96/57/44/351965744.db2.gz VKTDLTWIDAQHJE-HTRCEHHLSA-N 0 0 183.280 1.426 10 0 ADAERN CCN1C(=O)C(=CC(C)C)NC1=S 306787995 351965870 /nfs/dbraw/zinc/96/58/70/351965870.db2.gz RIHYSCHUPCIKTD-FNORWQNLSA-N 0 0 198.291 1.263 10 0 ADAERN C[C@@H]1CC[C@@H]1NCc1csnn1 306795903 351965902 /nfs/dbraw/zinc/96/59/02/351965902.db2.gz VKTDLTWIDAQHJE-SVRRBLITSA-N 0 0 183.280 1.426 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@H]1Nc1ncccn1 306803059 351966383 /nfs/dbraw/zinc/96/63/83/351966383.db2.gz VFBGITMAKGUSLG-HRDYMLBCSA-N 0 0 193.250 1.454 10 0 ADAERN C[C@@H]1C[C@@H](Nc2ncccn2)[C@@H](C)O1 306803060 351966512 /nfs/dbraw/zinc/96/65/12/351966512.db2.gz VFBGITMAKGUSLG-IWSPIJDZSA-N 0 0 193.250 1.454 10 0 ADAERN C[C@@H]1C[C@H](Nc2ncccn2)[C@@H](C)O1 306803058 351966514 /nfs/dbraw/zinc/96/65/14/351966514.db2.gz VFBGITMAKGUSLG-HLTSFMKQSA-N 0 0 193.250 1.454 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncnc2[nH]ccc12 306804873 351966573 /nfs/dbraw/zinc/96/65/73/351966573.db2.gz YYCWRLHDTZXBDZ-HTRCEHHLSA-N 0 0 188.234 1.778 10 0 ADAERN C[C@@H]1O[C@H](C)C[C@@H]1Nc1ncccn1 306803061 351966577 /nfs/dbraw/zinc/96/65/77/351966577.db2.gz VFBGITMAKGUSLG-VGMNWLOBSA-N 0 0 193.250 1.454 10 0 ADAERN C[C@@H]1CN(C(=O)C2=CCC2)C[C@@H]1C 306821825 351966797 /nfs/dbraw/zinc/96/67/97/351966797.db2.gz LEKUNLNFAOTZIS-DTORHVGOSA-N 0 0 179.263 1.821 10 0 ADAERN C[C@@H]1CN(C(=O)C2=CCC2)C[C@H]1C 306821827 351966853 /nfs/dbraw/zinc/96/68/53/351966853.db2.gz LEKUNLNFAOTZIS-RKDXNWHRSA-N 0 0 179.263 1.821 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)NCC1CC1 306840230 351967900 /nfs/dbraw/zinc/96/79/00/351967900.db2.gz AGLZBOWNORIIRN-PSASIEDQSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@@H](NC(=O)NC(C)(C)C)C(F)F 306834062 351967952 /nfs/dbraw/zinc/96/79/52/351967952.db2.gz QRBKWOYYEVOGJD-RXMQYKEDSA-N 0 0 194.225 1.738 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)NCC1CC1 306840236 351968005 /nfs/dbraw/zinc/96/80/05/351968005.db2.gz AGLZBOWNORIIRN-SCZZXKLOSA-N 0 0 181.279 1.949 10 0 ADAERN C[C@H](NC(=O)NC(C)(C)C)C(F)F 306834063 351968054 /nfs/dbraw/zinc/96/80/54/351968054.db2.gz QRBKWOYYEVOGJD-YFKPBYRVSA-N 0 0 194.225 1.738 10 0 ADAERN C[C@@H](NC(=O)NC1CC1)C(F)F 306847564 351968621 /nfs/dbraw/zinc/96/86/21/351968621.db2.gz LNGRNMBTNGZTCR-SCSAIBSYSA-N 0 0 178.182 1.102 10 0 ADAERN 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C[C@@H]1CSC[C@]1(O)CC1CC1 307415277 352011063 /nfs/dbraw/zinc/01/10/63/352011063.db2.gz MXLJNNPMVAEYPK-VXNVDRBHSA-N 0 0 172.293 1.901 10 0 ADAERN C[C@@H]1CSC[C@@]1(O)CC1CC1 307415273 352011133 /nfs/dbraw/zinc/01/11/33/352011133.db2.gz MXLJNNPMVAEYPK-APPZFPTMSA-N 0 0 172.293 1.901 10 0 ADAERN C=C(Cl)C(=O)NCC(C)(C)C 307413227 352011310 /nfs/dbraw/zinc/01/13/10/352011310.db2.gz IYOZTPVPZIHUKG-UHFFFAOYSA-N 0 0 175.659 1.901 10 0 ADAERN C[C@H](N)c1ncc(C2(C)CC2)o1 307415266 352011324 /nfs/dbraw/zinc/01/13/24/352011324.db2.gz MWVVYSWWMAZOMW-LURJTMIESA-N 0 0 166.224 1.746 10 0 ADAERN CC1(C)CC[C@@]12C[NH2+]C[C@H]2C(=O)[O-] 307415009 352011403 /nfs/dbraw/zinc/01/14/03/352011403.db2.gz UMLVRAMTCZPLPO-XVKPBYJWSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@H](N)c1ncc(C2(C)CC2)o1 307415267 352011464 /nfs/dbraw/zinc/01/14/64/352011464.db2.gz MWVVYSWWMAZOMW-ZCFIWIBFSA-N 0 0 166.224 1.746 10 0 ADAERN CC1(C)CC[C@]12C[NH2+]C[C@@H]2C(=O)[O-] 307415002 352011501 /nfs/dbraw/zinc/01/15/01/352011501.db2.gz 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/nfs/dbraw/zinc/01/24/55/352012455.db2.gz MKVAHUUGODKFHL-YUMQZZPRSA-N 0 0 193.250 1.696 10 0 ADAERN Cc1cccc(N)c1N[S@@](C)=O 307419128 352012489 /nfs/dbraw/zinc/01/24/89/352012489.db2.gz GUSYCMWPVIUPIE-GFCCVEGCSA-N 0 0 184.264 1.283 10 0 ADAERN C[C@@H]1OCC[C@H]1SCCF 307441518 352013266 /nfs/dbraw/zinc/01/32/66/352013266.db2.gz APYSHDCAZQTGMO-NKWVEPMBSA-N 0 0 164.245 1.867 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)c1ccco1 307438690 352013302 /nfs/dbraw/zinc/01/33/02/352013302.db2.gz WDTPZXBSAXTRMJ-HTQZYQBOSA-N 0 0 179.219 1.808 10 0 ADAERN C[C@@H]1OCC[C@@H]1SCCF 307441511 352013525 /nfs/dbraw/zinc/01/35/25/352013525.db2.gz APYSHDCAZQTGMO-BQBZGAKWSA-N 0 0 164.245 1.867 10 0 ADAERN O=c1ccc(F)cn1C[C@H]1CCCO1 307455407 352014543 /nfs/dbraw/zinc/01/45/43/352014543.db2.gz CLSBBDLDULKNOQ-SECBINFHSA-N 0 0 197.209 1.166 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)NC1CC1 307461655 352014563 /nfs/dbraw/zinc/01/45/63/352014563.db2.gz FXYVAACAVBTOPB-HTRCEHHLSA-N 0 0 168.240 1.247 10 0 ADAERN O=c1ccc(F)cn1C[C@@H]1CCCO1 307455416 352014586 /nfs/dbraw/zinc/01/45/86/352014586.db2.gz CLSBBDLDULKNOQ-VIFPVBQESA-N 0 0 197.209 1.166 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)NC1CC1 307461658 352014731 /nfs/dbraw/zinc/01/47/31/352014731.db2.gz FXYVAACAVBTOPB-SVRRBLITSA-N 0 0 168.240 1.247 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CC1(C)CC1 307464975 352015390 /nfs/dbraw/zinc/01/53/90/352015390.db2.gz CTUVMLWUXINGNF-HTQZYQBOSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)NC(C)(C)C 307469107 352015414 /nfs/dbraw/zinc/01/54/14/352015414.db2.gz MUNAXGWFZYWINH-HTQZYQBOSA-N 0 0 184.283 1.977 10 0 ADAERN [O-]c1cccnc1C[NH2+]C1CCCC1 307469907 352015434 /nfs/dbraw/zinc/01/54/34/352015434.db2.gz USHZLMQUJDVBIN-UHFFFAOYSA-N 0 0 192.262 1.819 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1ccoc1 307477459 352015944 /nfs/dbraw/zinc/01/59/44/352015944.db2.gz VMKJQQPFEZFTHZ-APPZFPTMSA-N 0 0 179.219 1.808 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)c1ccoc1 307477462 352015989 /nfs/dbraw/zinc/01/59/89/352015989.db2.gz VMKJQQPFEZFTHZ-VXNVDRBHSA-N 0 0 179.219 1.808 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cscn1 307474855 352016052 /nfs/dbraw/zinc/01/60/52/352016052.db2.gz SVTOTISNEBDFAQ-RNFRBKRXSA-N 0 0 196.275 1.766 10 0 ADAERN C[C@@H]1CN(Cc2nccn2C)[C@@H]1C 307483360 352016475 /nfs/dbraw/zinc/01/64/75/352016475.db2.gz MCKVTTHWFPCEHD-RKDXNWHRSA-N 0 0 179.267 1.260 10 0 ADAERN C[C@@]1(C(=O)N2CCC2)C[C@@H]2C[C@@H]2C1 307503850 352018023 /nfs/dbraw/zinc/01/80/23/352018023.db2.gz WHZIAQNISYSUTN-JZYVYDRUSA-N 0 0 179.263 1.655 10 0 ADAERN Oc1cncnc1N1CCCCC1 307509530 352018061 /nfs/dbraw/zinc/01/80/61/352018061.db2.gz NWZXCSGSOMIGCZ-UHFFFAOYSA-N 0 0 179.223 1.173 10 0 ADAERN CCOc1c(F)cccc1C(N)=O 307516394 352018694 /nfs/dbraw/zinc/01/86/94/352018694.db2.gz GRUZERUIJSQJHO-UHFFFAOYSA-N 0 0 183.182 1.323 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cn[nH]c1 307516117 352018705 /nfs/dbraw/zinc/01/87/05/352018705.db2.gz HAPYZCQZVQGRLN-RNFRBKRXSA-N 0 0 179.223 1.033 10 0 ADAERN Nc1cccc(N2CCC2=O)c1Cl 307521137 352019474 /nfs/dbraw/zinc/01/94/74/352019474.db2.gz SYEZEHQVPMXQQX-UHFFFAOYSA-N 0 0 196.637 1.659 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H](F)C1 307522662 352019885 /nfs/dbraw/zinc/01/98/85/352019885.db2.gz CBHAABDCMQROTD-BGZDPUMWSA-N 0 0 185.242 1.649 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](F)C1 307522673 352019913 /nfs/dbraw/zinc/01/99/13/352019913.db2.gz CBHAABDCMQROTD-XGEHTFHBSA-N 0 0 185.242 1.649 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)c1cscn1 307524385 352019962 /nfs/dbraw/zinc/01/99/62/352019962.db2.gz DXNYCZSLKLHKLZ-RNFRBKRXSA-N 0 0 196.275 1.671 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H](F)C1 307522671 352020007 /nfs/dbraw/zinc/02/00/07/352020007.db2.gz CBHAABDCMQROTD-XAVMHZPKSA-N 0 0 185.242 1.649 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)N1CC(F)C1 307522688 352020075 /nfs/dbraw/zinc/02/00/75/352020075.db2.gz CCOGXNAAEVLAFU-RNFRBKRXSA-N 0 0 186.230 1.006 10 0 ADAERN Cc1cncc([C@H](O)C[NH+]2CCC2)c1 307522565 352020084 /nfs/dbraw/zinc/02/00/84/352020084.db2.gz HWJIWBWUEQHXHM-LLVKDONJSA-N 0 0 192.262 1.129 10 0 ADAERN CC(=O)N[C@H](C)c1ccn(C)c1 307522515 352020091 /nfs/dbraw/zinc/02/00/91/352020091.db2.gz BYHWDJGQJHCUSV-SSDOTTSWSA-N 0 0 166.224 1.222 10 0 ADAERN Cc1nnc(Cl)n1CCCF 307522726 352020118 /nfs/dbraw/zinc/02/01/18/352020118.db2.gz CFALBQBFIRESSN-UHFFFAOYSA-N 0 0 177.610 1.600 10 0 ADAERN CC(=O)N[C@@H](C)c1ccn(C)c1 307522517 352020144 /nfs/dbraw/zinc/02/01/44/352020144.db2.gz BYHWDJGQJHCUSV-ZETCQYMHSA-N 0 0 166.224 1.222 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@@H](F)C1 307522667 352020160 /nfs/dbraw/zinc/02/01/60/352020160.db2.gz CBHAABDCMQROTD-HXFLIBJXSA-N 0 0 185.242 1.649 10 0 ADAERN Cc1cnn(C)c1[C@]1(O)CC[C@H]2C[C@H]21 307522566 352020162 /nfs/dbraw/zinc/02/01/62/352020162.db2.gz BZXWKGGEXYSSQK-NGZCFLSTSA-N 0 0 192.262 1.346 10 0 ADAERN Cc1cnn(C)c1[C@]1(O)CC[C@@H]2C[C@@H]21 307522568 352020165 /nfs/dbraw/zinc/02/01/65/352020165.db2.gz BZXWKGGEXYSSQK-YWVKMMECSA-N 0 0 192.262 1.346 10 0 ADAERN C[C@H](CF)Nc1cncc(Cl)n1 307522596 352020190 /nfs/dbraw/zinc/02/01/90/352020190.db2.gz HWZAPVAUGABEJH-RXMQYKEDSA-N 0 0 189.621 1.900 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)N1CC(F)C1 307522690 352020194 /nfs/dbraw/zinc/02/01/94/352020194.db2.gz CCOGXNAAEVLAFU-RQJHMYQMSA-N 0 0 186.230 1.006 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)N1CC(F)C1 307522684 352020214 /nfs/dbraw/zinc/02/02/14/352020214.db2.gz CCOGXNAAEVLAFU-BQBZGAKWSA-N 0 0 186.230 1.006 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1cscn1 307524388 352020237 /nfs/dbraw/zinc/02/02/37/352020237.db2.gz DXNYCZSLKLHKLZ-RQJHMYQMSA-N 0 0 196.275 1.671 10 0 ADAERN CC(C)C(=O)N1CCCCCO1 307533214 352020750 /nfs/dbraw/zinc/02/07/50/352020750.db2.gz ATRUWOUKRAFTSJ-UHFFFAOYSA-N 0 0 171.240 1.587 10 0 ADAERN CC(C)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 307534866 352020752 /nfs/dbraw/zinc/02/07/52/352020752.db2.gz JJVVCJCOMCEQNT-AYMMMOKOSA-N 0 0 167.252 1.557 10 0 ADAERN c1cnc(CN2CCCC2)nc1 307543986 352021159 /nfs/dbraw/zinc/02/11/59/352021159.db2.gz FWRAENZDSAGFGE-UHFFFAOYSA-N 0 0 163.224 1.072 10 0 ADAERN C[C@@H]1C[C@H](Cn2ccnn2)CCO1 307544294 352021277 /nfs/dbraw/zinc/02/12/77/352021277.db2.gz WBPMOJWZMVCHHV-RKDXNWHRSA-N 0 0 181.239 1.093 10 0 ADAERN C[C@@H]1C[C@@H](Cn2ccnn2)CCO1 307544291 352021346 /nfs/dbraw/zinc/02/13/46/352021346.db2.gz WBPMOJWZMVCHHV-BDAKNGLRSA-N 0 0 181.239 1.093 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1c[nH]cn1 307536719 352021369 /nfs/dbraw/zinc/02/13/69/352021369.db2.gz OHKQQAZQSPBQSF-RNFRBKRXSA-N 0 0 179.223 1.033 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CC(C)(F)F 307545866 352021759 /nfs/dbraw/zinc/02/17/59/352021759.db2.gz YNSJPQOGUVKQKB-PHDIDXHHSA-N 0 0 177.194 1.556 10 0 ADAERN CC(C)C(=O)N[C@H]1COCC1(C)C 307547803 352021807 /nfs/dbraw/zinc/02/18/07/352021807.db2.gz NPBQTIISBLMTNR-QMMMGPOBSA-N 0 0 185.267 1.184 10 0 ADAERN CC(C)C(=O)N[C@@H]1COCC1(C)C 307547802 352021834 /nfs/dbraw/zinc/02/18/34/352021834.db2.gz NPBQTIISBLMTNR-MRVPVSSYSA-N 0 0 185.267 1.184 10 0 ADAERN CCC[C@H](C)Nc1nc(C)nc(N)n1 307565981 352022662 /nfs/dbraw/zinc/02/26/62/352022662.db2.gz GAFVXLJBGSDLNK-LURJTMIESA-N 0 0 195.270 1.363 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)c1cccnc1 307566284 352022798 /nfs/dbraw/zinc/02/27/98/352022798.db2.gz CTHAFLFSDNUPSV-APPZFPTMSA-N 0 0 176.219 1.220 10 0 ADAERN CCC[C@@H](C)Nc1nc(C)nc(N)n1 307565982 352022833 /nfs/dbraw/zinc/02/28/33/352022833.db2.gz GAFVXLJBGSDLNK-ZCFIWIBFSA-N 0 0 195.270 1.363 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)CC1(C)CC1 307566291 352022854 /nfs/dbraw/zinc/02/28/54/352022854.db2.gz CTUVMLWUXINGNF-SFYZADRCSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@@H]1CC[C@@]2(CCN(C(N)=O)C2)C1 307577735 352023082 /nfs/dbraw/zinc/02/30/82/352023082.db2.gz MMJGEEIPMQIMBV-PSASIEDQSA-N 0 0 182.267 1.577 10 0 ADAERN CCO[C@H](C)c1nccn1C 307574813 352023095 /nfs/dbraw/zinc/02/30/95/352023095.db2.gz HVPHBBIRDDSLKT-SSDOTTSWSA-N 0 0 154.213 1.518 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)CC(C)(F)F 307575578 352023256 /nfs/dbraw/zinc/02/32/56/352023256.db2.gz ITTICUJDZIPXOK-RNFRBKRXSA-N 0 0 191.221 1.946 10 0 ADAERN C[C@@H]1CC[C@]2(CCN(C(N)=O)C2)C1 307577737 352023371 /nfs/dbraw/zinc/02/33/71/352023371.db2.gz MMJGEEIPMQIMBV-SCZZXKLOSA-N 0 0 182.267 1.577 10 0 ADAERN CCO[C@@H](C)c1nccn1C 307574814 352023444 /nfs/dbraw/zinc/02/34/44/352023444.db2.gz HVPHBBIRDDSLKT-ZETCQYMHSA-N 0 0 154.213 1.518 10 0 ADAERN C[C@@H](NC(=O)NC1CCC1)C(F)F 307606943 352025094 /nfs/dbraw/zinc/02/50/94/352025094.db2.gz DTSAWVZMMSOQFG-RXMQYKEDSA-N 0 0 192.209 1.492 10 0 ADAERN C[C@H](NC(=O)NC1CCC1)C(F)F 307606944 352025138 /nfs/dbraw/zinc/02/51/38/352025138.db2.gz DTSAWVZMMSOQFG-YFKPBYRVSA-N 0 0 192.209 1.492 10 0 ADAERN Cc1cc(CN2CC(C)(O)C2)cs1 307614516 352025923 /nfs/dbraw/zinc/02/59/23/352025923.db2.gz NGXMROGGGQJBRR-UHFFFAOYSA-N 0 0 197.303 1.623 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)NCC1(C)CC1 307614876 352026171 /nfs/dbraw/zinc/02/61/71/352026171.db2.gz NSBSCUBLJADEIU-HTQZYQBOSA-N 0 0 182.267 1.494 10 0 ADAERN O=C1CCC[C@H]1Cc1csnn1 307611904 352026304 /nfs/dbraw/zinc/02/63/04/352026304.db2.gz HGXHEIRJCHXZLK-LURJTMIESA-N 0 0 182.248 1.450 10 0 ADAERN C=CC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 307640563 352027927 /nfs/dbraw/zinc/02/79/27/352027927.db2.gz HJTGBNMSGWIKFC-RNLVFQAGSA-N 0 0 151.209 1.087 10 0 ADAERN O=C(c1cscn1)c1ccsn1 307641339 352027986 /nfs/dbraw/zinc/02/79/86/352027986.db2.gz ILNNAYOWUIJJHM-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN C=C(Cl)C(=O)N[C@H](C)C(C)C 307640593 352028106 /nfs/dbraw/zinc/02/81/06/352028106.db2.gz HLKBYTSJYTXHPM-SSDOTTSWSA-N 0 0 175.659 1.900 10 0 ADAERN C[C@@H]1CS[C@@H](c2csnn2)N1 307640832 352028183 /nfs/dbraw/zinc/02/81/83/352028183.db2.gz HSXCJHTZPKRGAD-XINAWCOVSA-N 0 0 187.293 1.262 10 0 ADAERN CSCCOc1ccncc1 307640637 352028203 /nfs/dbraw/zinc/02/82/03/352028203.db2.gz GRALFUZWRIXJJA-UHFFFAOYSA-N 0 0 169.249 1.823 10 0 ADAERN C[C@H]1CS[C@@H](c2csnn2)N1 307640830 352028253 /nfs/dbraw/zinc/02/82/53/352028253.db2.gz HSXCJHTZPKRGAD-NJGYIYPDSA-N 0 0 187.293 1.262 10 0 ADAERN C=C(Cl)C(=O)N[C@@H](C)C(C)C 307640595 352028370 /nfs/dbraw/zinc/02/83/70/352028370.db2.gz HLKBYTSJYTXHPM-ZETCQYMHSA-N 0 0 175.659 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CC(C)C[C@H](C)C(=O)N1CC(F)C1 335613438 352106819 /nfs/dbraw/zinc/10/68/19/352106819.db2.gz YFKBKQZCHBVRRG-QMMMGPOBSA-N 0 0 187.258 1.849 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N1CCCO1 335613396 352106841 /nfs/dbraw/zinc/10/68/41/352106841.db2.gz AGFITIGGGWFSCW-SECBINFHSA-N 0 0 185.267 1.833 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N1CC(F)C1 335613437 352106850 /nfs/dbraw/zinc/10/68/50/352106850.db2.gz YFKBKQZCHBVRRG-MRVPVSSYSA-N 0 0 187.258 1.849 10 0 ADAERN CC(C)CN1C(=O)CC2(CCC2)C1=O 335622616 352106904 /nfs/dbraw/zinc/10/69/04/352106904.db2.gz HRYPTHHVTFEELI-UHFFFAOYSA-N 0 0 195.262 1.572 10 0 ADAERN CC(C)C[C@H](C)C(=O)N1CCCO1 335613397 352106969 /nfs/dbraw/zinc/10/69/69/352106969.db2.gz AGFITIGGGWFSCW-VIFPVBQESA-N 0 0 185.267 1.833 10 0 ADAERN CC(C)C[C@@H]1C[C@H]1C(=O)N1CCCO1 335649136 352107586 /nfs/dbraw/zinc/10/75/86/352107586.db2.gz DLYBCUCIPUYSBV-NXEZZACHSA-N 0 0 197.278 1.833 10 0 ADAERN C[C@@H]1C[C@@H]([NH2+]Cc2ccn(C)c2)CO1 335663038 352108233 /nfs/dbraw/zinc/10/82/33/352108233.db2.gz JTLJMFKZXKBYFC-MWLCHTKSSA-N 0 0 194.278 1.292 10 0 ADAERN C[C@@H]1C[C@H]([NH2+]Cc2ccn(C)c2)CO1 335663037 352108375 /nfs/dbraw/zinc/10/83/75/352108375.db2.gz JTLJMFKZXKBYFC-KOLCDFICSA-N 0 0 194.278 1.292 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)c1ccn(C)c1 335690816 352108871 /nfs/dbraw/zinc/10/88/71/352108871.db2.gz VBIMMWTXXFZNPF-PSASIEDQSA-N 0 0 192.262 1.411 10 0 ADAERN CC(C)CC(=O)N1C[C@@H]2CC[C@H](C1)O2 335684694 352108882 /nfs/dbraw/zinc/10/88/82/352108882.db2.gz WSTYDCVBWFAYQV-AOOOYVTPSA-N 0 0 197.278 1.422 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)c1ccn(C)c1 335690817 352108919 /nfs/dbraw/zinc/10/89/19/352108919.db2.gz VBIMMWTXXFZNPF-SCZZXKLOSA-N 0 0 192.262 1.411 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1ccnn1C 335683773 352108986 /nfs/dbraw/zinc/10/89/86/352108986.db2.gz WZTHJIOQONOXFT-HTQZYQBOSA-N 0 0 193.250 1.043 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)N(C)C1CCC1 335679474 352109044 /nfs/dbraw/zinc/10/90/44/352109044.db2.gz NYGSWJHHKVXBIA-RKDXNWHRSA-N 0 0 196.294 1.836 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)N(C)C1CCC1 335679469 352109300 /nfs/dbraw/zinc/10/93/00/352109300.db2.gz NYGSWJHHKVXBIA-BDAKNGLRSA-N 0 0 196.294 1.836 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cncc(F)c1 335690368 352109471 /nfs/dbraw/zinc/10/94/71/352109471.db2.gz VAQOFSGBFCTFFS-HZGVNTEJSA-N 0 0 194.209 1.359 10 0 ADAERN CC(C)CN(C)C(=O)N[C@H]1C[C@@H]1C 335702642 352109654 /nfs/dbraw/zinc/10/96/54/352109654.db2.gz KIHWXGAOZCSBTH-IUCAKERBSA-N 0 0 184.283 1.692 10 0 ADAERN C[C@@H]1COC[C@@H](C)N1Cc1c[nH]cn1 335707110 352110010 /nfs/dbraw/zinc/11/00/10/352110010.db2.gz REGHFQCWSYQSDI-RKDXNWHRSA-N 0 0 195.266 1.019 10 0 ADAERN C[C@@H]1CC[C@@H](C)N(C(=O)CC(N)=O)C1 335708347 352110097 /nfs/dbraw/zinc/11/00/97/352110097.db2.gz WLBJKZICMCKEGT-HTQZYQBOSA-N 0 0 198.266 1.559 10 0 ADAERN C[C@@H]1C[C@H](NC(=O)C2=CCC2)CCO1 335736110 352110440 /nfs/dbraw/zinc/11/04/40/352110440.db2.gz DRMHUYAYDJAKNT-PSASIEDQSA-N 0 0 195.262 1.390 10 0 ADAERN c1cnc(N2CCCC23CCC3)nc1 335731136 352110467 /nfs/dbraw/zinc/11/04/67/352110467.db2.gz KBSOZOIKKPTQMD-UHFFFAOYSA-N 0 0 189.262 2.000 10 0 ADAERN C[C@@H]1CCCCN(C(=O)CC(N)=O)C1 335752295 352111444 /nfs/dbraw/zinc/11/14/44/352111444.db2.gz GNRXWFUSQQTRAB-MRVPVSSYSA-N 0 0 198.266 1.560 10 0 ADAERN COC1(C(=O)N2CCCO2)CCCC1 335746420 352111641 /nfs/dbraw/zinc/11/16/41/352111641.db2.gz QQIDVJGAZJJVFE-UHFFFAOYSA-N 0 0 199.250 1.110 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)N(C)CC1CC1 335764357 352111665 /nfs/dbraw/zinc/11/16/65/352111665.db2.gz MMYAUAIEUAYCKL-PSASIEDQSA-N 0 0 196.294 1.836 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)N(C)CC1CC1 335764358 352112005 /nfs/dbraw/zinc/11/20/05/352112005.db2.gz MMYAUAIEUAYCKL-SCZZXKLOSA-N 0 0 196.294 1.836 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cnn(C)c1 335763252 352112100 /nfs/dbraw/zinc/11/21/00/352112100.db2.gz NJURXXCGKCGQRF-HTQZYQBOSA-N 0 0 193.250 1.043 10 0 ADAERN CC[C@@H](C)NC(=O)c1cnnc(C)c1 335769518 352112619 /nfs/dbraw/zinc/11/26/19/352112619.db2.gz DHAVNBHKTPFPIY-SSDOTTSWSA-N 0 0 193.250 1.313 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cncnc1 335788229 352112872 /nfs/dbraw/zinc/11/28/72/352112872.db2.gz XTYRQFOHJQNNTH-HTQZYQBOSA-N 0 0 191.234 1.100 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)COC(C)(C)C 335769525 352112940 /nfs/dbraw/zinc/11/29/40/352112940.db2.gz FSTNSIVMBDGHLQ-RKDXNWHRSA-N 0 0 199.294 1.811 10 0 ADAERN CC(C)C(=O)NC[C@H]1CCC(C)(C)O1 335819394 352113640 /nfs/dbraw/zinc/11/36/40/352113640.db2.gz NBYAFUQFGIEIHJ-SECBINFHSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N1CC[C@H](O)C1 335805415 352113834 /nfs/dbraw/zinc/11/38/34/352113834.db2.gz HRCWWWVQGMUPPF-ZJUUUORDSA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)C[C@H](C)C(=O)N1CC[C@H](O)C1 335805414 352113907 /nfs/dbraw/zinc/11/39/07/352113907.db2.gz HRCWWWVQGMUPPF-UWVGGRQHSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H]1CCCN1C(=O)C[C@@H]1CCCO1 335821713 352114348 /nfs/dbraw/zinc/11/43/48/352114348.db2.gz FCEVJTGPDKQWCB-ZJUUUORDSA-N 0 0 197.278 1.566 10 0 ADAERN OCCN1CC2(CC2)c2ccccc21 335825555 352114396 /nfs/dbraw/zinc/11/43/96/352114396.db2.gz JFOZSRNKSDQCNO-UHFFFAOYSA-N 0 0 189.258 1.531 10 0 ADAERN C[C@@H]1CCCN1C(=O)C[C@H]1CCCO1 335821710 352114620 /nfs/dbraw/zinc/11/46/20/352114620.db2.gz FCEVJTGPDKQWCB-NXEZZACHSA-N 0 0 197.278 1.566 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)NCC1CCC1 335855847 352115522 /nfs/dbraw/zinc/11/55/22/352115522.db2.gz YMZNLXPPPOXSPR-RKDXNWHRSA-N 0 0 196.294 1.979 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cnccn1 335853976 352115835 /nfs/dbraw/zinc/11/58/35/352115835.db2.gz BQQXZRGLRHDOPF-HTQZYQBOSA-N 0 0 191.234 1.100 10 0 ADAERN C[C@@H]1CCN(C(=O)[C@]2(C)CCCO2)C1 335856372 352115852 /nfs/dbraw/zinc/11/58/52/352115852.db2.gz NXVJXUBQXJQNFX-KOLCDFICSA-N 0 0 197.278 1.424 10 0 ADAERN C[C@@H]1CN(C(=O)C2=CCC2)[C@H](C)CO1 335869184 352116241 /nfs/dbraw/zinc/11/62/41/352116241.db2.gz VGOWQXSLAMZNSN-RKDXNWHRSA-N 0 0 195.262 1.342 10 0 ADAERN CC(C)CN1CCN(C(C)C)CC1=O 335878848 352116831 /nfs/dbraw/zinc/11/68/31/352116831.db2.gz ABZOHZIIQOPHTC-UHFFFAOYSA-N 0 0 198.310 1.195 10 0 ADAERN C[C@@H]1COCCN1CC1=CCCOC1 335875057 352116878 /nfs/dbraw/zinc/11/68/78/352116878.db2.gz ARPLLGCZERWSHW-SNVBAGLBSA-N 0 0 197.278 1.054 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)Nc1ccncn1 335883899 352117341 /nfs/dbraw/zinc/11/73/41/352117341.db2.gz ONJVPSKGPDRXTH-RNFRBKRXSA-N 0 0 192.222 1.007 10 0 ADAERN CC(C)C(=O)N1CC2(CCCOC2)C1 335887484 352117423 /nfs/dbraw/zinc/11/74/23/352117423.db2.gz ACHPRSLECWCVDV-UHFFFAOYSA-N 0 0 197.278 1.281 10 0 ADAERN CC(C)CC[N@H+]1CC(=O)N(C)[C@@H](C)C1 335919246 352119027 /nfs/dbraw/zinc/11/90/27/352119027.db2.gz QXANICUTJOIWOX-JTQLQIEISA-N 0 0 198.310 1.195 10 0 ADAERN CC(C)CNC(=O)[C@@H]1CCC(C)(C)O1 335908206 352117830 /nfs/dbraw/zinc/11/78/30/352117830.db2.gz POGGTUUMYXAWSF-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccc(F)cn1 335899649 352118132 /nfs/dbraw/zinc/11/81/32/352118132.db2.gz GGLOGHIUROXSKN-HZGVNTEJSA-N 0 0 194.209 1.359 10 0 ADAERN CC(C)CCN1C(=O)NC2(CC2)C1=O 335896426 352118234 /nfs/dbraw/zinc/11/82/34/352118234.db2.gz BEDZHKILEBGLNV-UHFFFAOYSA-N 0 0 196.250 1.117 10 0 ADAERN CC(C)C(C)(C)C(=O)N1CC(CO)C1 335895288 352118296 /nfs/dbraw/zinc/11/82/96/352118296.db2.gz SUMBMEMWYCUOAL-UHFFFAOYSA-N 0 0 199.294 1.119 10 0 ADAERN CC(C)CC[N@H+]1CC(=O)N(C)[C@H](C)C1 335919247 352118931 /nfs/dbraw/zinc/11/89/31/352118931.db2.gz QXANICUTJOIWOX-SNVBAGLBSA-N 0 0 198.310 1.195 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)c1cc(F)c[nH]1 335916335 352118962 /nfs/dbraw/zinc/11/89/62/352118962.db2.gz PUFHSDXKHJWWHJ-RQJHMYQMSA-N 0 0 196.225 1.540 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)c1cc(F)c[nH]1 335916333 352119050 /nfs/dbraw/zinc/11/90/50/352119050.db2.gz PUFHSDXKHJWWHJ-RNFRBKRXSA-N 0 0 196.225 1.540 10 0 ADAERN CC(C)CN(C)C(=O)c1cc(F)c[nH]1 335928894 352119518 /nfs/dbraw/zinc/11/95/18/352119518.db2.gz RQIYFRDWSGDRAC-UHFFFAOYSA-N 0 0 198.241 1.882 10 0 ADAERN CC1(c2nc(-c3ncc[nH]3)no2)CC1 335942560 352119972 /nfs/dbraw/zinc/11/99/72/352119972.db2.gz USBPGMPISWDBOH-UHFFFAOYSA-N 0 0 190.206 1.511 10 0 ADAERN CCc1nc(C(=O)NC2CC2)c(C)o1 335938732 352120317 /nfs/dbraw/zinc/12/03/17/352120317.db2.gz RLJQXSDRCYQETD-UHFFFAOYSA-N 0 0 194.234 1.438 10 0 ADAERN c1coc(CN2C[C@@H]3CC[C@H](C2)O3)c1 335944901 352120329 /nfs/dbraw/zinc/12/03/29/352120329.db2.gz IOQBPCKNFAUJDM-PHIMTYICSA-N 0 0 193.246 1.643 10 0 ADAERN C[C@@H]1OCCN(C(=O)C2=CCC2)[C@@H]1C 335968625 352121137 /nfs/dbraw/zinc/12/11/37/352121137.db2.gz OHUAIUWUNMVADS-BDAKNGLRSA-N 0 0 195.262 1.342 10 0 ADAERN CC(C)CC(=O)N1C[C@@H](C)[C@H]1C 335975942 352120672 /nfs/dbraw/zinc/12/06/72/352120672.db2.gz DGWHVPZOALVXAC-RKDXNWHRSA-N 0 0 169.268 1.899 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)c1cncnc1 335956041 352120709 /nfs/dbraw/zinc/12/07/09/352120709.db2.gz BHMHVQULZWZJQL-APPZFPTMSA-N 0 0 191.234 1.005 10 0 ADAERN c1ncn(Cc2ncc(C3CC3)o2)n1 335966766 352120747 /nfs/dbraw/zinc/12/07/47/352120747.db2.gz YGBAWUPTLJYTAG-UHFFFAOYSA-N 0 0 190.206 1.192 10 0 ADAERN CC(C)CC(=O)N1C[C@H](C)[C@H]1C 335975938 352120823 /nfs/dbraw/zinc/12/08/23/352120823.db2.gz DGWHVPZOALVXAC-DTWKUNHWSA-N 0 0 169.268 1.899 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)c1cncnc1 335956044 352120901 /nfs/dbraw/zinc/12/09/01/352120901.db2.gz BHMHVQULZWZJQL-VXNVDRBHSA-N 0 0 191.234 1.005 10 0 ADAERN C[C@@H]1CN(C(=O)C(C)(C)C)[C@@H]1C 335960930 352120920 /nfs/dbraw/zinc/12/09/20/352120920.db2.gz YEDXZWKLTSKDDT-HTQZYQBOSA-N 0 0 169.268 1.899 10 0 ADAERN C[C@@H]1OCCN(C(=O)C2=CCC2)[C@H]1C 335968627 352120958 /nfs/dbraw/zinc/12/09/58/352120958.db2.gz OHUAIUWUNMVADS-IUCAKERBSA-N 0 0 195.262 1.342 10 0 ADAERN C[C@@H]1CC[C@@]2(CCN(C(=O)CO)C2)C1 335978205 352121068 /nfs/dbraw/zinc/12/10/68/352121068.db2.gz CFKSRQCEYYMEPL-MWLCHTKSSA-N 0 0 197.278 1.017 10 0 ADAERN C[C@@H]1CN(C(=O)C2(CCF)CC2)[C@@H]1C 335971812 352121077 /nfs/dbraw/zinc/12/10/77/352121077.db2.gz DVGFRCSDBOVFOP-RKDXNWHRSA-N 0 0 199.269 1.993 10 0 ADAERN C[C@@H]1CN(C(=O)CC(C)(C)O)[C@@H]1C 335976336 352121080 /nfs/dbraw/zinc/12/10/80/352121080.db2.gz CCHLZOLSTNRFMC-HTQZYQBOSA-N 0 0 185.267 1.014 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)NC2(CO)CC2)C1 335961695 352121114 /nfs/dbraw/zinc/12/11/14/352121114.db2.gz FRJYMILWTGEBHL-RKDXNWHRSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H]1CC[C@H](CC(=O)N2CCCO2)C1 335991004 352121767 /nfs/dbraw/zinc/12/17/67/352121767.db2.gz AUZUGMFIOSKNRJ-ZJUUUORDSA-N 0 0 197.278 1.977 10 0 ADAERN CC(C)(NC(=O)C1CC=CC1)C(N)=O 336003455 352121818 /nfs/dbraw/zinc/12/18/18/352121818.db2.gz KTRBPELGNONEFV-UHFFFAOYSA-N 0 0 196.250 1.383 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)CC1CCOCC1 335990356 352121879 /nfs/dbraw/zinc/12/18/79/352121879.db2.gz JHLWKVZQLQEURQ-PSASIEDQSA-N 0 0 197.278 1.328 10 0 ADAERN C[C@@H]1CC[C@@H](CC(=O)N2CCCO2)C1 335991001 352122161 /nfs/dbraw/zinc/12/21/61/352122161.db2.gz AUZUGMFIOSKNRJ-NXEZZACHSA-N 0 0 197.278 1.977 10 0 ADAERN C[C@@H]1CCC[C@@H](NC(=O)CC(N)=O)C1 336032993 352122569 /nfs/dbraw/zinc/12/25/69/352122569.db2.gz DZMWZGNWCNSWEK-HTQZYQBOSA-N 0 0 198.266 1.607 10 0 ADAERN CC(C)C[C@@H](C)C(=O)N1CC[C@@H](O)C1 336035097 352122713 /nfs/dbraw/zinc/12/27/13/352122713.db2.gz HRCWWWVQGMUPPF-NXEZZACHSA-N 0 0 199.294 1.262 10 0 ADAERN CC(C)C[C@H](C)C(=O)N1CC[C@@H](O)C1 336035098 352122936 /nfs/dbraw/zinc/12/29/36/352122936.db2.gz HRCWWWVQGMUPPF-VHSXEESVSA-N 0 0 199.294 1.262 10 0 ADAERN C[C@@H]1CCC[C@H](NC(=O)CC(N)=O)C1 336032995 352123169 /nfs/dbraw/zinc/12/31/69/352123169.db2.gz DZMWZGNWCNSWEK-SFYZADRCSA-N 0 0 198.266 1.607 10 0 ADAERN C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CCCC1 336055106 352123488 /nfs/dbraw/zinc/12/34/88/352123488.db2.gz ILUANFHNGXRGQQ-NXEZZACHSA-N 0 0 196.294 1.092 10 0 ADAERN O[C@@H](Cn1cnnc1)C1CCCCC1 336063433 352123556 /nfs/dbraw/zinc/12/35/56/352123556.db2.gz OWFBNSHEADQNSB-JTQLQIEISA-N 0 0 195.266 1.219 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1CCC(=O)CC1 336044358 352123581 /nfs/dbraw/zinc/12/35/81/352123581.db2.gz ZWJAEGDAUMWPRM-GMSGAONNSA-N 0 0 195.262 1.270 10 0 ADAERN C[C@@H]1C[C@@H](C(=O)N(C)CC2CC2)CO1 336063377 352123676 /nfs/dbraw/zinc/12/36/76/352123676.db2.gz QCNRAUDFNWEXSX-PSASIEDQSA-N 0 0 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336141331 352127104 /nfs/dbraw/zinc/12/71/04/352127104.db2.gz FFHCLXXEIKILFT-UHFFFAOYSA-N 0 0 195.266 1.507 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1ccccn1 336141707 352127455 /nfs/dbraw/zinc/12/74/55/352127455.db2.gz LOCKFPIADRLAOM-IUCAKERBSA-N 0 0 190.246 1.610 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1ccccn1 336141706 352127495 /nfs/dbraw/zinc/12/74/95/352127495.db2.gz LOCKFPIADRLAOM-DTWKUNHWSA-N 0 0 190.246 1.610 10 0 ADAERN CC(C)CN(C)C(=O)[C@@]1(C)CCCO1 336181397 352128255 /nfs/dbraw/zinc/12/82/55/352128255.db2.gz VRFAGTPCNPTZNG-LLVKDONJSA-N 0 0 199.294 1.670 10 0 ADAERN CC(C)CN(C)C(=O)[C@]1(C)CCCO1 336181398 352128352 /nfs/dbraw/zinc/12/83/52/352128352.db2.gz VRFAGTPCNPTZNG-NSHDSACASA-N 0 0 199.294 1.670 10 0 ADAERN CC[C@@H](C)NC(=O)c1nccc(C)n1 336194961 352128616 /nfs/dbraw/zinc/12/86/16/352128616.db2.gz XTZDNTVLVCVDRN-SSDOTTSWSA-N 0 0 193.250 1.313 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)NCC1(C)CC1 336195528 352129102 /nfs/dbraw/zinc/12/91/02/352129102.db2.gz NJCGXJRJTCVKQQ-RKDXNWHRSA-N 0 0 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/nfs/dbraw/zinc/13/46/77/352134677.db2.gz BAZFEJCZDHAGHY-BDAKNGLRSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@@H]1CC[C@@H](N2CCCO2)C1 336283402 352134802 /nfs/dbraw/zinc/13/48/02/352134802.db2.gz HTAPEMFALWJOBS-RKDXNWHRSA-N 0 0 155.241 1.812 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)C1CC(C)(O)C1 336296817 352134957 /nfs/dbraw/zinc/13/49/57/352134957.db2.gz LCRACUMNDASCMA-DLMHNBQMSA-N 0 0 197.278 1.062 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)CC1(O)CCC1 336296674 352135125 /nfs/dbraw/zinc/13/51/25/352135125.db2.gz BAZFEJCZDHAGHY-RKDXNWHRSA-N 0 0 197.278 1.206 10 0 ADAERN C[C@@H]1CC[C@H](N2CCCO2)C1 336283399 352135158 /nfs/dbraw/zinc/13/51/58/352135158.db2.gz HTAPEMFALWJOBS-BDAKNGLRSA-N 0 0 155.241 1.812 10 0 ADAERN C[C@@H]1CN(C(=O)C2CC=CC2)[C@@H]1C 336317588 352135558 /nfs/dbraw/zinc/13/55/58/352135558.db2.gz KNTVDGDIPGCFMJ-RKDXNWHRSA-N 0 0 179.263 1.819 10 0 ADAERN C[C@@H]1CN(C(=O)c2cscn2)[C@@H]1C 336323621 352135874 /nfs/dbraw/zinc/13/58/74/352135874.db2.gz ORCPJNHINDMTRV-RNFRBKRXSA-N 0 0 196.275 1.624 10 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C[C@@H]1C[N@H+](CCc2cnn(C)c2)[C@@H]1C 336358759 352138786 /nfs/dbraw/zinc/13/87/86/352138786.db2.gz NPVHBSXEMHYBAL-NXEZZACHSA-N 0 0 193.294 1.303 10 0 ADAERN C[C@@H]1CN(C(=O)c2ccco2)[C@@H]1C 336380996 352139441 /nfs/dbraw/zinc/13/94/41/352139441.db2.gz JSBZFXQFMVGQRS-HTQZYQBOSA-N 0 0 179.219 1.760 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)Cc1ccon1 336410762 352140212 /nfs/dbraw/zinc/14/02/12/352140212.db2.gz KYSZMJOVZBWUEL-HTQZYQBOSA-N 0 0 194.234 1.226 10 0 ADAERN C[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O 336396049 352140336 /nfs/dbraw/zinc/14/03/36/352140336.db2.gz IBMHEQLUEIENBY-HTQZYQBOSA-N 0 0 198.266 1.607 10 0 ADAERN C[C@@H]1CCCN1C(=O)[C@@]1(C)CCCO1 336428997 352140943 /nfs/dbraw/zinc/14/09/43/352140943.db2.gz RBFUYVJCRKHIIW-MWLCHTKSSA-N 0 0 197.278 1.566 10 0 ADAERN C[C@H]1CC[C@H](NC(=O)CC(N)=O)CC1 336434185 352141003 /nfs/dbraw/zinc/14/10/03/352141003.db2.gz RCEFCMGIQGBUJI-ZKCHVHJHSA-N 0 0 198.266 1.607 10 0 ADAERN C[C@@H]1CC[C@@H](CC(=O)N2CC(F)C2)C1 336448866 352141168 /nfs/dbraw/zinc/14/11/68/352141168.db2.gz DIKBDTGCULKZKT-RKDXNWHRSA-N 0 0 199.269 1.993 10 0 ADAERN C[C@@H]1CC[C@H](CC(=O)N2CC(F)C2)C1 336448860 352141331 /nfs/dbraw/zinc/14/13/31/352141331.db2.gz DIKBDTGCULKZKT-BDAKNGLRSA-N 0 0 199.269 1.993 10 0 ADAERN CC(C)C(=O)N1CCO[C@H](C2CC2)C1 336421435 352141466 /nfs/dbraw/zinc/14/14/66/352141466.db2.gz DUFFSCITKIRKFM-JTQLQIEISA-N 0 0 197.278 1.280 10 0 ADAERN C[C@@H]1CCCN1C(=O)[C@]1(C)CCCO1 336428996 352141474 /nfs/dbraw/zinc/14/14/74/352141474.db2.gz RBFUYVJCRKHIIW-KOLCDFICSA-N 0 0 197.278 1.566 10 0 ADAERN CC(C)C(=O)N1CCO[C@@H](C2CC2)C1 336421436 352141489 /nfs/dbraw/zinc/14/14/89/352141489.db2.gz DUFFSCITKIRKFM-SNVBAGLBSA-N 0 0 197.278 1.280 10 0 ADAERN CC(C)CNC(=O)N1CCC12CCC2 336457422 352142131 /nfs/dbraw/zinc/14/21/31/352142131.db2.gz MEXFSFLBKPKMDG-UHFFFAOYSA-N 0 0 196.294 1.980 10 0 ADAERN CC(C)(NC(=O)c1ccoc1)C(N)=O 336470775 352142165 /nfs/dbraw/zinc/14/21/65/352142165.db2.gz COYPMFVFXLZVSH-UHFFFAOYSA-N 0 0 196.206 1.323 10 0 ADAERN CC[C@@H](C)N(C)C(=O)C1=CCOCC1 336520615 352143681 /nfs/dbraw/zinc/14/36/81/352143681.db2.gz BZGBMTQFKUGXLH-SECBINFHSA-N 0 0 197.278 1.590 10 0 ADAERN CC(C)=CCNC(=O)[C@@]1(C)CCCO1 336538045 352144764 /nfs/dbraw/zinc/14/47/64/352144764.db2.gz UEQHENXDQIGWON-LLVKDONJSA-N 0 0 197.278 1.638 10 0 ADAERN CC(C)=CCNC(=O)[C@]1(C)CCCO1 336538046 352144777 /nfs/dbraw/zinc/14/47/77/352144777.db2.gz UEQHENXDQIGWON-NSHDSACASA-N 0 0 197.278 1.638 10 0 ADAERN CC(C)CN1C(=O)[C@@H](C)[C@H](C)C1=O 336552691 352145471 /nfs/dbraw/zinc/14/54/71/352145471.db2.gz CSOKQUJYGVAUHA-YUMQZZPRSA-N 0 0 183.251 1.283 10 0 ADAERN CC(C)CN1C(=O)[C@H](C)[C@@H](C)C1=O 336552689 352145612 /nfs/dbraw/zinc/14/56/12/352145612.db2.gz CSOKQUJYGVAUHA-HTQZYQBOSA-N 0 0 183.251 1.283 10 0 ADAERN CC(C)C[C@@H]1CCC(=O)N(C)C1=O 336553131 352146253 /nfs/dbraw/zinc/14/62/53/352146253.db2.gz DLXKCASFZIGSOH-QMMMGPOBSA-N 0 0 183.251 1.428 10 0 ADAERN C[C@@H]1CN(C(=O)Cc2ccoc2)[C@@H]1C 336574153 352148205 /nfs/dbraw/zinc/14/82/05/352148205.db2.gz NMEGXNHZCSDFRG-RKDXNWHRSA-N 0 0 193.246 1.689 10 0 ADAERN CC(C)=CCN1C(=O)CC(C)CC1=O 336574254 352148580 /nfs/dbraw/zinc/14/85/80/352148580.db2.gz IMDUIQQCWANYIN-UHFFFAOYSA-N 0 0 195.262 1.738 10 0 ADAERN CC(C)(NC(=O)C1=CCCC1)C(N)=O 336590702 352149416 /nfs/dbraw/zinc/14/94/16/352149416.db2.gz PJMWZVUBBSINRL-UHFFFAOYSA-N 0 0 196.250 1.527 10 0 ADAERN c1cn(-c2ccnc(C3CC3)n2)cn1 336587657 352149425 /nfs/dbraw/zinc/14/94/25/352149425.db2.gz ZTJNGCAQGAYROJ-UHFFFAOYSA-N 0 0 186.218 1.540 10 0 ADAERN C[C@@H]1OCC[C@H]1C(=O)N(C)CC1CC1 336613026 352150042 /nfs/dbraw/zinc/15/00/42/352150042.db2.gz LZWPHIROYLDMPZ-WCBMZHEXSA-N 0 0 197.278 1.280 10 0 ADAERN C[C@@]1(C(=O)NCC2CCC2)CCCO1 336607255 352150270 /nfs/dbraw/zinc/15/02/70/352150270.db2.gz LJDJMSGJNCOAIK-NSHDSACASA-N 0 0 197.278 1.472 10 0 ADAERN C[C@@H]1CC[C@H]1NC(=O)C1=CCOCC1 336630385 352151080 /nfs/dbraw/zinc/15/10/80/352151080.db2.gz UQOAMOOWSFHCTD-PSASIEDQSA-N 0 0 195.262 1.248 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)N(C)CC1CC1 336613028 352151137 /nfs/dbraw/zinc/15/11/37/352151137.db2.gz LZWPHIROYLDMPZ-WPRPVWTQSA-N 0 0 197.278 1.280 10 0 ADAERN CC[C@@H](C)c1nc(-c2ncc[nH]2)no1 336613678 352151355 /nfs/dbraw/zinc/15/13/55/352151355.db2.gz KBELAEVVBWTBGU-ZCFIWIBFSA-N 0 0 192.222 1.973 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccnc2cccnc12 336619820 352151448 /nfs/dbraw/zinc/15/14/48/352151448.db2.gz NZRWHQVAZVSKCR-LDYMZIIASA-N 0 0 199.257 1.872 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccnc2cccnc12 336619818 352151525 /nfs/dbraw/zinc/15/15/25/352151525.db2.gz NZRWHQVAZVSKCR-KCJUWKMLSA-N 0 0 199.257 1.872 10 0 ADAERN CC[C@@H](C)C(=O)Nc1ccnnc1C 336618155 352151569 /nfs/dbraw/zinc/15/15/69/352151569.db2.gz YZZGLMZGTFRESO-SSDOTTSWSA-N 0 0 193.250 1.770 10 0 ADAERN COC[C@@H](C)c1nc(C2CC2)no1 349602415 352152051 /nfs/dbraw/zinc/15/20/51/352152051.db2.gz AIRTZIGFIGAYIJ-ZCFIWIBFSA-N 0 0 182.223 1.697 10 0 ADAERN CCOCCc1nc(C2CC2)no1 349602947 352152071 /nfs/dbraw/zinc/15/20/71/352152071.db2.gz HLELRFYRUOWHHP-UHFFFAOYSA-N 0 0 182.223 1.526 10 0 ADAERN CSCCc1nc(N(C)C)no1 349602971 352152087 /nfs/dbraw/zinc/15/20/87/352152087.db2.gz IEYUSHNSMPBWLM-UHFFFAOYSA-N 0 0 187.268 1.041 10 0 ADAERN CCCc1noc(COC(C)C)n1 349602590 352152097 /nfs/dbraw/zinc/15/20/97/352152097.db2.gz CXSXTSULJLTAFF-UHFFFAOYSA-N 0 0 184.239 1.947 10 0 ADAERN COC[C@H](C)c1nc(C2CC2)no1 349602411 352152129 /nfs/dbraw/zinc/15/21/29/352152129.db2.gz AIRTZIGFIGAYIJ-LURJTMIESA-N 0 0 182.223 1.697 10 0 ADAERN COCc1noc(CCSC)n1 349602900 352152134 /nfs/dbraw/zinc/15/21/34/352152134.db2.gz GFCICPFCJXDAPS-UHFFFAOYSA-N 0 0 188.252 1.122 10 0 ADAERN Cc1[nH]ccc1C(=O)N[C@@H]1CC1(C)C 336634355 352152136 /nfs/dbraw/zinc/15/21/36/352152136.db2.gz BVVWSMQLYYEGAF-SECBINFHSA-N 0 0 192.262 1.851 10 0 ADAERN CSCCCn1c(C)cncc1=O 379370870 352152973 /nfs/dbraw/zinc/15/29/73/352152973.db2.gz GVOAILRXPYCIDN-UHFFFAOYSA-N 0 0 198.291 1.305 10 0 ADAERN CSCC(=O)NCCC1CC1 393637756 352154040 /nfs/dbraw/zinc/15/40/40/352154040.db2.gz OVSSWXIIAGKRIQ-UHFFFAOYSA-N 0 0 173.281 1.266 10 0 ADAERN CCNC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 403228251 352155350 /nfs/dbraw/zinc/15/53/50/352155350.db2.gz NISWFJKMGVNIMI-KXUCPTDWSA-N 0 0 196.294 1.742 10 0 ADAERN COCC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 403200043 352155357 /nfs/dbraw/zinc/15/53/57/352155357.db2.gz ZLDOFZHUDCJNOH-BBBLOLIVSA-N 0 0 197.278 1.185 10 0 ADAERN CC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 403180873 352155365 /nfs/dbraw/zinc/15/53/65/352155365.db2.gz QWYAONYIJQRHSS-BBBLOLIVSA-N 0 0 167.252 1.559 10 0 ADAERN CN(C)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 403256116 352155627 /nfs/dbraw/zinc/15/56/27/352155627.db2.gz WGDXZSKARMZPIC-BBBLOLIVSA-N 0 0 196.294 1.694 10 0 ADAERN O=C(c1ccc[nH]1)C1CSC1 405142193 352157091 /nfs/dbraw/zinc/15/70/91/352157091.db2.gz GGOFDTBCNGFXJW-UHFFFAOYSA-N 0 0 167.233 1.560 10 0 ADAERN CC(=O)c1ccnc(C2CSC2)n1 405139840 352157133 /nfs/dbraw/zinc/15/71/33/352157133.db2.gz LLQKQFQFNXIGIW-UHFFFAOYSA-N 0 0 194.259 1.510 10 0 ADAERN Clc1ccnc(C2CSC2)n1 405140566 352157236 /nfs/dbraw/zinc/15/72/36/352157236.db2.gz MAGOJIZCPCCJSS-UHFFFAOYSA-N 0 0 186.667 1.960 10 0 ADAERN CC(C)(C)C(=O)C1CSC1 405143207 352157253 /nfs/dbraw/zinc/15/72/53/352157253.db2.gz HBERQLLMWICKOP-UHFFFAOYSA-N 0 0 158.266 1.965 10 0 ADAERN CCN(c1nc(C)ns1)C1COC1 408519742 352157839 /nfs/dbraw/zinc/15/78/39/352157839.db2.gz XQARVEMZZOTUOT-UHFFFAOYSA-N 0 0 199.279 1.072 10 0 ADAERN CCCCn1cnn2cccc2c1=O 408525223 352157975 /nfs/dbraw/zinc/15/79/75/352157975.db2.gz PTUGODOUWLPZCH-UHFFFAOYSA-N 0 0 191.234 1.296 10 0 ADAERN COc1cc(Cl)c(N)cc1N 409417033 352159835 /nfs/dbraw/zinc/15/98/35/352159835.db2.gz XSHQCVFHKSLLHX-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN COCC[C@@H](CO)CC(F)(F)F 409425220 352160615 /nfs/dbraw/zinc/16/06/15/352160615.db2.gz KBYPKUAVGAJJQS-ZCFIWIBFSA-N 0 0 186.173 1.584 10 0 ADAERN O=C1COCC[C@@H](c2ccccc2)N1 409424961 352160712 /nfs/dbraw/zinc/16/07/12/352160712.db2.gz IVGVRNJZHNELTG-JTQLQIEISA-N 0 0 191.230 1.264 10 0 ADAERN CC(F)(F)C1CCN(N)CC1 409425392 352160793 /nfs/dbraw/zinc/16/07/93/352160793.db2.gz FQGZVGJHKGCTGT-UHFFFAOYSA-N 0 0 164.199 1.227 10 0 ADAERN O=C1COCC[C@H](c2ccccc2)N1 409424973 352160873 /nfs/dbraw/zinc/16/08/73/352160873.db2.gz IVGVRNJZHNELTG-SNVBAGLBSA-N 0 0 191.230 1.264 10 0 ADAERN O=C1CC(c2nc(C3CC3)no2)C1 409434316 352161976 /nfs/dbraw/zinc/16/19/76/352161976.db2.gz WSOHGHTWHCBKNW-UHFFFAOYSA-N 0 0 178.191 1.394 10 0 ADAERN NC(=O)c1cc2ccoc2cc1O 473151808 352162015 /nfs/dbraw/zinc/16/20/15/352162015.db2.gz RDEKEWVOOJBTET-UHFFFAOYSA-N 0 0 177.159 1.237 10 0 ADAERN Cc1ccccc1 504028210 352162580 /nfs/dbraw/zinc/16/25/80/352162580.db2.gz FZLRNNJNPCUVIJ-UHFFFAOYSA-N 0 0 91.133 1.862 10 0 in-vitro ADAERN C[C@@H]1CC(=O)N(C)c2ccc(O)cc21 498050796 352162615 /nfs/dbraw/zinc/16/26/15/352162615.db2.gz SEJUNTCZYFPRPM-SSDOTTSWSA-N 0 0 191.230 1.862 10 0 ADAERN CN(C)C(=O)[C@H]1CCCC12CC2 527533280 352165487 /nfs/dbraw/zinc/16/54/87/352165487.db2.gz NXKOKABQSVOWNT-MRVPVSSYSA-N 0 0 167.252 1.655 10 0 ADAERN O=CC(=O)c1ccc(Cl)cn1 575453899 352222624 /nfs/dbraw/zinc/22/26/24/352222624.db2.gz LLJHDWRKKRLKCJ-UHFFFAOYSA-N 0 0 169.567 1.117 10 0 ADAERN C[C@H]1CC[C@H]1NC(=O)c1cccnn1 527532418 352165361 /nfs/dbraw/zinc/16/53/61/352165361.db2.gz IKHJXCVQWTULNO-JGVFFNPUSA-N 0 0 191.234 1.005 10 0 ADAERN c1nnc(-c2cnc(C3CC3)o2)o1 527533207 352165385 /nfs/dbraw/zinc/16/53/85/352165385.db2.gz RRRFHYLSFJFBOE-UHFFFAOYSA-N 0 0 177.163 1.602 10 0 ADAERN O=C(NCC1CC=CC1)C1CCC1 527531568 352165413 /nfs/dbraw/zinc/16/54/13/352165413.db2.gz HTLCKUULVZIHPE-UHFFFAOYSA-N 0 0 179.263 1.869 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)c1cccnn1 527532025 352165418 /nfs/dbraw/zinc/16/54/18/352165418.db2.gz GXTHPBKXIVHPDP-HTQZYQBOSA-N 0 0 191.234 1.100 10 0 ADAERN CN(C)C(=O)[C@@H]1CCCC12CC2 527533282 352165494 /nfs/dbraw/zinc/16/54/94/352165494.db2.gz NXKOKABQSVOWNT-QMMMGPOBSA-N 0 0 167.252 1.655 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)c1cccnn1 527532027 352165601 /nfs/dbraw/zinc/16/56/01/352165601.db2.gz GXTHPBKXIVHPDP-OCAPTIKFSA-N 0 0 191.234 1.100 10 0 ADAERN CN(C(=O)c1cccnn1)C1CCC1 527531976 352165718 /nfs/dbraw/zinc/16/57/18/352165718.db2.gz GPILVTQNANTWSN-UHFFFAOYSA-N 0 0 191.234 1.101 10 0 ADAERN Cn1ccc(-c2cnc(C3CC3)o2)n1 527533251 352165724 /nfs/dbraw/zinc/16/57/24/352165724.db2.gz SGFWEVPMCVCFDT-UHFFFAOYSA-N 0 0 189.218 1.953 10 0 ADAERN CONC(=O)[C@@H]1CCCC12CC2 527532034 352165728 /nfs/dbraw/zinc/16/57/28/352165728.db2.gz GHRHOUWFFGHAGI-ZETCQYMHSA-N 0 0 169.224 1.244 10 0 ADAERN Cn1ncnc1-c1cnc(C2CC2)o1 527532312 352165734 /nfs/dbraw/zinc/16/57/34/352165734.db2.gz MFMWLXFMOFKVGN-UHFFFAOYSA-N 0 0 190.206 1.348 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)c1cccnn1 527532421 352165805 /nfs/dbraw/zinc/16/58/05/352165805.db2.gz IKHJXCVQWTULNO-YUMQZZPRSA-N 0 0 191.234 1.005 10 0 ADAERN c1cc(-c2cnc(C3CC3)o2)n[nH]1 527532808 352165810 /nfs/dbraw/zinc/16/58/10/352165810.db2.gz OXQFSLXALRPWPF-UHFFFAOYSA-N 0 0 175.191 1.942 10 0 ADAERN Fc1ccc(C[N@H+]2C[C@H]3C[C@H]3C2)nc1 527531958 352165824 /nfs/dbraw/zinc/16/58/24/352165824.db2.gz GMNGTSNNDQGGCQ-DTORHVGOSA-N 0 0 192.237 1.672 10 0 ADAERN Cn1ncc(-c2cnc(C3CC3)o2)n1 527533957 352166096 /nfs/dbraw/zinc/16/60/96/352166096.db2.gz YDXLIPWGVBBDRR-UHFFFAOYSA-N 0 0 190.206 1.348 10 0 ADAERN NC(=O)[C@@H]1C[C@H]1c1ccsc1 527534902 352166323 /nfs/dbraw/zinc/16/63/23/352166323.db2.gz WVGGAQYHWRXFAA-NKWVEPMBSA-N 0 0 167.233 1.337 10 0 ADAERN CNC(=O)[C@@H]1C[C@H]1c1ccsc1 527534887 352166461 /nfs/dbraw/zinc/16/64/61/352166461.db2.gz WOFUHXVCODYGFA-JGVFFNPUSA-N 0 0 181.260 1.598 10 0 ADAERN NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 527534874 352166465 /nfs/dbraw/zinc/16/64/65/352166465.db2.gz WEMQOJSNOPEQLW-VHSXEESVSA-N 0 0 193.221 1.805 10 0 ADAERN Cn1cncc1-c1cnc(C2CC2)o1 527533876 352166523 /nfs/dbraw/zinc/16/65/23/352166523.db2.gz WVOAITYZTZMSMM-UHFFFAOYSA-N 0 0 189.218 1.953 10 0 ADAERN Cc1nc(-c2cnc(C3CC3)o2)n[nH]1 527533458 352166544 /nfs/dbraw/zinc/16/65/44/352166544.db2.gz VQXMGMQOSOJEPE-UHFFFAOYSA-N 0 0 190.206 1.646 10 0 ADAERN NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 527534870 352166548 /nfs/dbraw/zinc/16/65/48/352166548.db2.gz WEMQOJSNOPEQLW-NXEZZACHSA-N 0 0 193.221 1.805 10 0 ADAERN O=C(NCC1CCC1)c1cccnn1 527534909 352166562 /nfs/dbraw/zinc/16/65/62/352166562.db2.gz WXNVRYQSYYGBGF-UHFFFAOYSA-N 0 0 191.234 1.007 10 0 ADAERN c1ccc(NCC2COC2)nc1 527535117 352167025 /nfs/dbraw/zinc/16/70/25/352167025.db2.gz ZTSBCAZTWVLZHX-UHFFFAOYSA-N 0 0 164.208 1.140 10 0 ADAERN CC1(NC(=O)c2cccnn2)CCC1 527536814 352167237 /nfs/dbraw/zinc/16/72/37/352167237.db2.gz UXDNRUJWJGZGSA-UHFFFAOYSA-N 0 0 191.234 1.149 10 0 ADAERN CC1CC(NC(=O)c2cccnn2)C1 527535461 352167320 /nfs/dbraw/zinc/16/73/20/352167320.db2.gz MNMJROUPOGIZSZ-UHFFFAOYSA-N 0 0 191.234 1.005 10 0 ADAERN Cc1cocc1C(=O)N1CCCO1 527536515 352167354 /nfs/dbraw/zinc/16/73/54/352167354.db2.gz SNYWPNXIHYDVBP-UHFFFAOYSA-N 0 0 181.191 1.366 10 0 ADAERN CCN(CC)C(=O)Cn1cncc1C 527638770 352167768 /nfs/dbraw/zinc/16/77/68/352167768.db2.gz ZSKFJOGXXDJUGV-UHFFFAOYSA-N 0 0 195.266 1.060 10 0 ADAERN CC[C@H](C)NC(=O)Cn1cncc1C 527633526 352167802 /nfs/dbraw/zinc/16/78/02/352167802.db2.gz NXWGJHAIZGKIIK-QMMMGPOBSA-N 0 0 195.266 1.106 10 0 ADAERN CCNC(=O)c1conc1C(C)C 527642387 352167922 /nfs/dbraw/zinc/16/79/22/352167922.db2.gz DTFDEWXEQJCBOX-UHFFFAOYSA-N 0 0 182.223 1.548 10 0 ADAERN CCNC(=O)[C@H]1CCCC12CC2 527643525 352167935 /nfs/dbraw/zinc/16/79/35/352167935.db2.gz RRKREYJKOWYKLX-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN COCCNC(=O)[C@@H]1CCCC12CC2 527631482 352167989 /nfs/dbraw/zinc/16/79/89/352167989.db2.gz AVDWGGRGPUFONP-VIFPVBQESA-N 0 0 197.278 1.329 10 0 ADAERN CCNC(=O)[C@H]1CC(C)(C)OC1(C)C 527641966 352168006 /nfs/dbraw/zinc/16/80/06/352168006.db2.gz ALFDVGKBRVAOQP-MRVPVSSYSA-N 0 0 199.294 1.716 10 0 ADAERN CCC(CC)NC(=O)c1cccnn1 527649740 352168073 /nfs/dbraw/zinc/16/80/73/352168073.db2.gz QZHHMIFNDYAENW-UHFFFAOYSA-N 0 0 193.250 1.395 10 0 ADAERN Cc1c(F)nnc(Cl)c1C 575458910 352238387 /nfs/dbraw/zinc/23/83/87/352238387.db2.gz XYLPGXCOEBPLML-UHFFFAOYSA-N 0 0 160.579 1.886 10 0 ADAERN CC[C@@H](C)NC(=O)Cn1cncc1C 527633524 352168101 /nfs/dbraw/zinc/16/81/01/352168101.db2.gz NXWGJHAIZGKIIK-MRVPVSSYSA-N 0 0 195.266 1.106 10 0 ADAERN CCNC(=O)[C@@H]1CCCC12CC2 527643528 352168121 /nfs/dbraw/zinc/16/81/21/352168121.db2.gz RRKREYJKOWYKLX-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN CCC(C)(C)NC(=O)c1cccnn1 527800664 352169718 /nfs/dbraw/zinc/16/97/18/352169718.db2.gz OMCLTTXLBNOPOH-UHFFFAOYSA-N 0 0 193.250 1.395 10 0 ADAERN CON(C)C(=O)[C@@H]1CCCC12CC2 527784201 352169942 /nfs/dbraw/zinc/16/99/42/352169942.db2.gz CDHXGAZEOCVZKV-QMMMGPOBSA-N 0 0 183.251 1.587 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NCc1cc[nH]n1 527783559 352169962 /nfs/dbraw/zinc/16/99/62/352169962.db2.gz LZWRGTVPLZPUEH-ZJUUUORDSA-N 0 0 195.266 1.067 10 0 ADAERN CCONC(=O)[C@H]1CCCC12CC2 527786761 352170056 /nfs/dbraw/zinc/17/00/56/352170056.db2.gz OCLDABAGXXCJCI-MRVPVSSYSA-N 0 0 183.251 1.634 10 0 ADAERN CCONC(=O)[C@@H]1CCCC12CC2 527786762 352170062 /nfs/dbraw/zinc/17/00/62/352170062.db2.gz OCLDABAGXXCJCI-QMMMGPOBSA-N 0 0 183.251 1.634 10 0 ADAERN 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0 181.239 1.697 10 0 ADAERN Fc1nc(Cl)nc2c1SCC2 575461757 352249015 /nfs/dbraw/zinc/24/90/15/352249015.db2.gz ICJYHVLURLPXDL-UHFFFAOYSA-N 0 0 190.630 1.917 10 0 ADAERN CCN(C(=O)c1cccnn1)C1CC1 527821230 352171788 /nfs/dbraw/zinc/17/17/88/352171788.db2.gz MUJASJZYGQYFIJ-UHFFFAOYSA-N 0 0 191.234 1.101 10 0 ADAERN Cc1cncn1CC(=O)N(C)C(C)C 527835304 352171855 /nfs/dbraw/zinc/17/18/55/352171855.db2.gz ITVVDENUXXWYIA-UHFFFAOYSA-N 0 0 195.266 1.058 10 0 ADAERN CN(CCO)C(=O)[C@@H]1CCCC12CC2 527877835 352172192 /nfs/dbraw/zinc/17/21/92/352172192.db2.gz ASGNMCFUQMXAQU-VIFPVBQESA-N 0 0 197.278 1.017 10 0 ADAERN CN(CCO)C(=O)[C@H]1CCCC12CC2 527877833 352172246 /nfs/dbraw/zinc/17/22/46/352172246.db2.gz ASGNMCFUQMXAQU-SECBINFHSA-N 0 0 197.278 1.017 10 0 ADAERN C[C@@H](CO)NC(=O)[C@H]1CCCC12CC2 527883972 352172605 /nfs/dbraw/zinc/17/26/05/352172605.db2.gz FPJMNEJYZJNEJR-DTWKUNHWSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@H](CO)NC(=O)[C@H]1CCCC12CC2 527883979 352172632 /nfs/dbraw/zinc/17/26/32/352172632.db2.gz FPJMNEJYZJNEJR-RKDXNWHRSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@H](CO)NC(=O)[C@@H]1CCCC12CC2 527883965 352172642 /nfs/dbraw/zinc/17/26/42/352172642.db2.gz FPJMNEJYZJNEJR-BDAKNGLRSA-N 0 0 197.278 1.064 10 0 ADAERN C[C@@H](CO)NC(=O)[C@@H]1CCCC12CC2 527883976 352172666 /nfs/dbraw/zinc/17/26/66/352172666.db2.gz FPJMNEJYZJNEJR-IUCAKERBSA-N 0 0 197.278 1.064 10 0 ADAERN O=C(NCCCO)[C@H]1CCCC12CC2 527885623 352172703 /nfs/dbraw/zinc/17/27/03/352172703.db2.gz ZGECHPJZEGSLPT-SECBINFHSA-N 0 0 197.278 1.065 10 0 ADAERN COc1cccnc1N1CC=CCC1 527952966 352174267 /nfs/dbraw/zinc/17/42/67/352174267.db2.gz HCWJOQDRCRUCRU-UHFFFAOYSA-N 0 0 190.246 1.857 10 0 ADAERN Cc1noc(COCC(F)F)n1 528068691 352175263 /nfs/dbraw/zinc/17/52/63/352175263.db2.gz QMKZPKPMHRNUFJ-UHFFFAOYSA-N 0 0 178.138 1.160 10 0 ADAERN CCO[C@@]1(C)C[C@H]1Nc1ncccn1 528159856 352175346 /nfs/dbraw/zinc/17/53/46/352175346.db2.gz ZSBJKLZEZQOVQA-SCZZXKLOSA-N 0 0 193.250 1.456 10 0 ADAERN Cc1cnc(NCC2COC2)s1 528226467 352175511 /nfs/dbraw/zinc/17/55/11/352175511.db2.gz UIGGTHLUSUUXEM-UHFFFAOYSA-N 0 0 184.264 1.510 10 0 ADAERN CONC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 528082872 352175638 /nfs/dbraw/zinc/17/56/38/352175638.db2.gz GXGFTZPCPRTQQH-HRDYMLBCSA-N 0 0 198.266 1.283 10 0 ADAERN CONC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 528082869 352175726 /nfs/dbraw/zinc/17/57/26/352175726.db2.gz GXGFTZPCPRTQQH-HLTSFMKQSA-N 0 0 198.266 1.283 10 0 ADAERN Clc1cnccc1NCC1COC1 528226223 352175772 /nfs/dbraw/zinc/17/57/72/352175772.db2.gz PYAWRPFWCJGJKC-UHFFFAOYSA-N 0 0 198.653 1.215 10 0 ADAERN Clc1cccnc1NCC1COC1 528225123 352175785 /nfs/dbraw/zinc/17/57/85/352175785.db2.gz DYTYKUJBICOJTR-UHFFFAOYSA-N 0 0 198.653 1.793 10 0 ADAERN CN1CN(CC2CC(C)(C)C2)CC1=O 528437450 352178408 /nfs/dbraw/zinc/17/84/08/352178408.db2.gz HHMXEBUKAILAKD-UHFFFAOYSA-N 0 0 196.294 1.154 10 0 ADAERN CC[N@@H+](CC(N)=O)CC1CC(C)(C)C1 528471583 352178733 /nfs/dbraw/zinc/17/87/33/352178733.db2.gz QQFVCGMNPGTEPN-UHFFFAOYSA-N 0 0 198.310 1.230 10 0 ADAERN CCC(=O)NCC[C@@H]1CCCOC1 528451032 352178943 /nfs/dbraw/zinc/17/89/43/352178943.db2.gz RKGDIBRILVMQMH-VIFPVBQESA-N 0 0 185.267 1.329 10 0 ADAERN CCC(=O)NCC1CC=CC1 528468812 352179000 /nfs/dbraw/zinc/17/90/00/352179000.db2.gz HOVFFCFEKQNQAF-UHFFFAOYSA-N 0 0 153.225 1.479 10 0 ADAERN CCC(=O)NCC[C@H]1CCCOC1 528451012 352179083 /nfs/dbraw/zinc/17/90/83/352179083.db2.gz RKGDIBRILVMQMH-SECBINFHSA-N 0 0 185.267 1.329 10 0 ADAERN CCC(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 528544415 352179328 /nfs/dbraw/zinc/17/93/28/352179328.db2.gz QXRODTGELVEILW-ODHVRURNSA-N 0 0 185.267 1.325 10 0 ADAERN CC(=O)NCC[C@H]1CC=CCC1 528528139 352179878 /nfs/dbraw/zinc/17/98/78/352179878.db2.gz BGGIKPJHIOAWAF-JTQLQIEISA-N 0 0 167.252 1.869 10 0 ADAERN OCCCN1CCC[C@@H]1C(F)(F)F 528669972 352180304 /nfs/dbraw/zinc/18/03/04/352180304.db2.gz KVOIETAOEDFZBP-SSDOTTSWSA-N 0 0 197.200 1.396 10 0 ADAERN OCCN1CCC[C@@H]1C(F)(F)F 528668840 352180507 /nfs/dbraw/zinc/18/05/07/352180507.db2.gz GCICKPKKRIGFCF-ZCFIWIBFSA-N 0 0 183.173 1.005 10 0 ADAERN CCC[C@@H](OCC)C(=O)N1CC(C)C1 529172430 352181286 /nfs/dbraw/zinc/18/12/86/352181286.db2.gz CFUCHLPUFSYPMW-SNVBAGLBSA-N 0 0 199.294 1.670 10 0 ADAERN O=C([C@H]1CCCC12CC2)N1CCCO1 529004386 352181753 /nfs/dbraw/zinc/18/17/53/352181753.db2.gz QTTXGZKERUQSOA-SECBINFHSA-N 0 0 195.262 1.731 10 0 ADAERN O=C([C@@H]1CCCC12CC2)N1CCCO1 529004388 352181876 /nfs/dbraw/zinc/18/18/76/352181876.db2.gz QTTXGZKERUQSOA-VIFPVBQESA-N 0 0 195.262 1.731 10 0 ADAERN CC1(CNC(=O)c2cccnn2)CC1 528769094 352181879 /nfs/dbraw/zinc/18/18/79/352181879.db2.gz SJSIHWUXSLAKBD-UHFFFAOYSA-N 0 0 191.234 1.007 10 0 ADAERN O=C(NCCF)[C@H]1CCCC12CC2 529245311 352182377 /nfs/dbraw/zinc/18/23/77/352182377.db2.gz OMWNTMUAWRHDSO-MRVPVSSYSA-N 0 0 185.242 1.652 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)c1cccnn1 529251175 352182488 /nfs/dbraw/zinc/18/24/88/352182488.db2.gz XECKWORJZUFMDN-VXNVDRBHSA-N 0 0 191.234 1.005 10 0 ADAERN Cc1cc(CN2CC(F)C2)ccn1 529541850 352182642 /nfs/dbraw/zinc/18/26/42/352182642.db2.gz LNLVRYFBFOBURD-UHFFFAOYSA-N 0 0 180.226 1.544 10 0 ADAERN CN(C(=O)c1cccnn1)C(C)(C)C 529510555 352182706 /nfs/dbraw/zinc/18/27/06/352182706.db2.gz VHVGGXUBPACVMB-UHFFFAOYSA-N 0 0 193.250 1.347 10 0 ADAERN C[C@@H](NC(=O)c1cccnn1)C1CC1 529446741 352182731 /nfs/dbraw/zinc/18/27/31/352182731.db2.gz VRGMFTHDPGQYAS-SSDOTTSWSA-N 0 0 191.234 1.005 10 0 ADAERN O=C(NCCF)[C@@H]1CCCC12CC2 529245312 352182735 /nfs/dbraw/zinc/18/27/35/352182735.db2.gz OMWNTMUAWRHDSO-QMMMGPOBSA-N 0 0 185.242 1.652 10 0 ADAERN CC(C)C(=O)NCC[C@H]1CCCOC1 529602562 352183255 /nfs/dbraw/zinc/18/32/55/352183255.db2.gz SQOLQLAQCZIXKO-SNVBAGLBSA-N 0 0 199.294 1.575 10 0 ADAERN CCCC(=O)N[C@@]12C[C@@H]1COC2(C)C 529779888 352183343 /nfs/dbraw/zinc/18/33/43/352183343.db2.gz CRBTWAHDQDZNII-KCJUWKMLSA-N 0 0 197.278 1.470 10 0 ADAERN O=C(CC1CC1)NCC1CC=CC1 529712121 352183408 /nfs/dbraw/zinc/18/34/08/352183408.db2.gz DIMASBGDSQESNI-UHFFFAOYSA-N 0 0 179.263 1.869 10 0 ADAERN CC(C)C(=O)NCC1CC=CC1 529712093 352183801 /nfs/dbraw/zinc/18/38/01/352183801.db2.gz CQUYYJAXRNZIEK-UHFFFAOYSA-N 0 0 167.252 1.725 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NC(=O)C(C)C 529851028 352184029 /nfs/dbraw/zinc/18/40/29/352184029.db2.gz HWAYQEOLYGJSFR-SCZZXKLOSA-N 0 0 185.267 1.326 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NC(=O)CC(C)C 529852143 352184032 /nfs/dbraw/zinc/18/40/32/352184032.db2.gz NNBIPIXGCAWQQZ-KOLCDFICSA-N 0 0 199.294 1.716 10 0 ADAERN CC(C)C(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 529978803 352184040 /nfs/dbraw/zinc/18/40/40/352184040.db2.gz BNJQMSHSMORKHJ-XKNYDFJKSA-N 0 0 199.294 1.571 10 0 ADAERN C[C@H](O)C(=O)NCC[C@@H]1CC=CCC1 529870653 352184051 /nfs/dbraw/zinc/18/40/51/352184051.db2.gz VATZAXOQSPQBMJ-VHSXEESVSA-N 0 0 197.278 1.230 10 0 ADAERN CC(C)C(=O)N[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 529978800 352184057 /nfs/dbraw/zinc/18/40/57/352184057.db2.gz BNJQMSHSMORKHJ-JXUBOQSCSA-N 0 0 199.294 1.571 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NC(=O)C(C)(C)C 529850534 352184085 /nfs/dbraw/zinc/18/40/85/352184085.db2.gz BKTGIMFZQQMFFS-KCJUWKMLSA-N 0 0 199.294 1.716 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NC(=O)C1(C)CC1 529855665 352184107 /nfs/dbraw/zinc/18/41/07/352184107.db2.gz MBONLZDYTFCQMW-KCJUWKMLSA-N 0 0 197.278 1.470 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NC(=O)[C@@H](C)CC 529851313 352184114 /nfs/dbraw/zinc/18/41/14/352184114.db2.gz FYKPHGBVSCJYEX-NGZCFLSTSA-N 0 0 199.294 1.716 10 0 ADAERN CC1(C)OC[C@@H]2C[C@@]21NC(=O)C1CC1 529785124 352184168 /nfs/dbraw/zinc/18/41/68/352184168.db2.gz SEUCRLBWEJJYDJ-GZMMTYOYSA-N 0 0 195.262 1.080 10 0 ADAERN CCCOCn1c(C)csc1=O 530102130 352184201 /nfs/dbraw/zinc/18/42/01/352184201.db2.gz BSLUPTDJXNRANK-UHFFFAOYSA-N 0 0 187.264 1.602 10 0 ADAERN CCCC(=O)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 529995987 352184225 /nfs/dbraw/zinc/18/42/25/352184225.db2.gz RRSWGWRDJAQZBX-HJGDQZAQSA-N 0 0 199.294 1.715 10 0 ADAERN C[C@@H]1O[C@H](C)[C@@H](NC(=O)C2CC2)[C@@H]1C 529991878 352184298 /nfs/dbraw/zinc/18/42/98/352184298.db2.gz HAWOPOPBEYOCFT-JIOCBJNQSA-N 0 0 197.278 1.325 10 0 ADAERN CCO[C@@]1(C)C[C@H]1NC(=O)C1CCC1 529850642 352184392 /nfs/dbraw/zinc/18/43/92/352184392.db2.gz AARZEMQIHLMQIF-KOLCDFICSA-N 0 0 197.278 1.470 10 0 ADAERN CCCC(=O)N[C@@H]1C[C@]1(C)OCC 529850492 352184437 /nfs/dbraw/zinc/18/44/37/352184437.db2.gz AKEOSDKCIIXZBB-SCZZXKLOSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@@H]1O[C@H](C)[C@H](NC(=O)C2CC2)[C@H]1C 529991880 352184456 /nfs/dbraw/zinc/18/44/56/352184456.db2.gz HAWOPOPBEYOCFT-QHOPCYEYSA-N 0 0 197.278 1.325 10 0 ADAERN CC1(C(=O)NCC2CC(O)C2)CCC1 530089684 352184468 /nfs/dbraw/zinc/18/44/68/352184468.db2.gz QJAMSYKBCDROOZ-UHFFFAOYSA-N 0 0 197.278 1.064 10 0 ADAERN CCCOc1cncc(NC(C)=O)c1 529840010 352184523 /nfs/dbraw/zinc/18/45/23/352184523.db2.gz AQBPSIVVDJEGRZ-UHFFFAOYSA-N 0 0 194.234 1.829 10 0 ADAERN CC(C)C(=O)N[C@]12C[C@H]1COC2(C)C 529783975 352184559 /nfs/dbraw/zinc/18/45/59/352184559.db2.gz LWZDVBCRVBMUEE-GZMMTYOYSA-N 0 0 197.278 1.326 10 0 ADAERN CC1(C)OC[C@H]2C[C@]21NC(=O)C1CC1 529785126 352184605 /nfs/dbraw/zinc/18/46/05/352184605.db2.gz SEUCRLBWEJJYDJ-KCJUWKMLSA-N 0 0 195.262 1.080 10 0 ADAERN CC(C)C(=O)N[C@@]12C[C@@H]1COC2(C)C 529783976 352184629 /nfs/dbraw/zinc/18/46/29/352184629.db2.gz LWZDVBCRVBMUEE-KCJUWKMLSA-N 0 0 197.278 1.326 10 0 ADAERN CC1(C)CC(Cn2ccnn2)C1 530109297 352184950 /nfs/dbraw/zinc/18/49/50/352184950.db2.gz IRLNDBGUPBYCCC-UHFFFAOYSA-N 0 0 165.240 1.714 10 0 ADAERN CCCC(=O)Nc1cc(C)nn1CC 530126813 352184982 /nfs/dbraw/zinc/18/49/82/352184982.db2.gz VGKBXHHSNFOQFR-UHFFFAOYSA-N 0 0 195.266 1.950 10 0 ADAERN Cn1ncn(CC2CC(C)(C)C2)c1=O 530107478 352185056 /nfs/dbraw/zinc/18/50/56/352185056.db2.gz HYVBFAARWAYTOC-UHFFFAOYSA-N 0 0 195.266 1.018 10 0 ADAERN CC1(C)CC(CS(C)(=O)=O)C1 530109567 352185209 /nfs/dbraw/zinc/18/52/09/352185209.db2.gz BCURRBTUXFKSSZ-UHFFFAOYSA-N 0 0 176.281 1.467 10 0 ADAERN Cc1nnnn1CC1CC(C)(C)C1 530106536 352185253 /nfs/dbraw/zinc/18/52/53/352185253.db2.gz ZENQUEHCHOHOGN-UHFFFAOYSA-N 0 0 180.255 1.418 10 0 ADAERN CC1(C(=O)NCC2COC2)CCCC1 530114896 352185381 /nfs/dbraw/zinc/18/53/81/352185381.db2.gz HGPGVGACZNAJNQ-UHFFFAOYSA-N 0 0 197.278 1.329 10 0 ADAERN Cn1cnc(=O)n1CC1CC(C)(C)C1 530109821 352185426 /nfs/dbraw/zinc/18/54/26/352185426.db2.gz QTDYNMGTAPKJOX-UHFFFAOYSA-N 0 0 195.266 1.018 10 0 ADAERN CC1(C)CC(Cn2cnccc2=O)C1 530106813 352185484 /nfs/dbraw/zinc/18/54/84/352185484.db2.gz OLNFTRNHMCOOQW-UHFFFAOYSA-N 0 0 192.262 1.680 10 0 ADAERN Cn1cnn(CC2CC(C)(C)C2)c1=O 530163528 352185800 /nfs/dbraw/zinc/18/58/00/352185800.db2.gz OOAOIYJCOVIDNZ-UHFFFAOYSA-N 0 0 195.266 1.018 10 0 ADAERN CC1(C)CC(Cn2cncn2)C1 530161781 352185833 /nfs/dbraw/zinc/18/58/33/352185833.db2.gz ZIELNKKASBAEGE-UHFFFAOYSA-N 0 0 165.240 1.714 10 0 ADAERN O=C(Cn1ccnc1C1CC1)C1CC1 530129961 352186083 /nfs/dbraw/zinc/18/60/83/352186083.db2.gz QUFPRGUQGWJSSY-UHFFFAOYSA-N 0 0 190.246 1.740 10 0 ADAERN OC1(CCn2ccnc2C2CC2)CC1 530129124 352186164 /nfs/dbraw/zinc/18/61/64/352186164.db2.gz HRAHIBLANFKQJK-UHFFFAOYSA-N 0 0 192.262 1.676 10 0 ADAERN CC1(C)CC(Cn2ncccc2=O)C1 530165712 352186315 /nfs/dbraw/zinc/18/63/15/352186315.db2.gz KEUOLCPJVOSAFT-UHFFFAOYSA-N 0 0 192.262 1.680 10 0 ADAERN CC1(C)CC(Cn2ccncc2=O)C1 530167993 352186385 /nfs/dbraw/zinc/18/63/85/352186385.db2.gz HLOUSPBJPQDVDF-UHFFFAOYSA-N 0 0 192.262 1.680 10 0 ADAERN CC(=O)NOCC1CC(C)(C)C1 530159259 352186433 /nfs/dbraw/zinc/18/64/33/352186433.db2.gz GFHUAFZPPTVYSA-UHFFFAOYSA-N 0 0 171.240 1.490 10 0 ADAERN CCOCn1ccnc1C1CC1 530128843 352186487 /nfs/dbraw/zinc/18/64/87/352186487.db2.gz BYZSINQPQMYFGM-UHFFFAOYSA-N 0 0 166.224 1.755 10 0 ADAERN CC1(C)CC(CONC(=O)C2CC2)C1 530171823 352186807 /nfs/dbraw/zinc/18/68/07/352186807.db2.gz GOOIXZKDUYILCS-UHFFFAOYSA-N 0 0 197.278 1.880 10 0 ADAERN CCC[NH+]1[C@H](C)CC(C(=O)[O-])C[C@H]1C 530180278 352186899 /nfs/dbraw/zinc/18/68/99/352186899.db2.gz WITOIHWCUCAUPD-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)N(C)C(=O)c1nncs1 530186015 352187093 /nfs/dbraw/zinc/18/70/93/352187093.db2.gz GPUNISZSDAYWQL-UHFFFAOYSA-N 0 0 185.252 1.019 10 0 ADAERN CCC[N@@H+]1[C@@H](C)C[C@H](C(=O)[O-])C[C@H]1C 530180276 352187157 /nfs/dbraw/zinc/18/71/57/352187157.db2.gz WITOIHWCUCAUPD-ILWJIGKKSA-N 0 0 199.294 1.970 10 0 ADAERN CC1(C)CC(COn2cccn2)C1 530170162 352187225 /nfs/dbraw/zinc/18/72/25/352187225.db2.gz PWESWNARMYYGSF-UHFFFAOYSA-N 0 0 180.251 1.748 10 0 ADAERN CS(C)(=O)=Nc1cccnc1F 536950903 352190647 /nfs/dbraw/zinc/19/06/47/352190647.db2.gz LWUNRIQJVWLOAL-UHFFFAOYSA-N 0 0 188.227 1.580 10 0 ADAERN CC[S@](C)(=O)=Nc1cccnc1 536949462 352189778 /nfs/dbraw/zinc/18/97/78/352189778.db2.gz ABYYVFLXVMEGEJ-LBPRGKRZSA-N 0 0 184.264 1.831 10 0 ADAERN CC[S@@](C)(=O)=Nc1cccnc1 536949455 352189784 /nfs/dbraw/zinc/18/97/84/352189784.db2.gz ABYYVFLXVMEGEJ-GFCCVEGCSA-N 0 0 184.264 1.831 10 0 ADAERN Cc1cc(N=S(C)(C)=O)nn1C 536950832 352190012 /nfs/dbraw/zinc/19/00/12/352190012.db2.gz KXKRFKJREIXAFK-UHFFFAOYSA-N 0 0 187.268 1.088 10 0 ADAERN CCS(=O)(CC)=Nc1cn[nH]c1 536950426 352190235 /nfs/dbraw/zinc/19/02/35/352190235.db2.gz HSHMWXLONHGAOZ-UHFFFAOYSA-N 0 0 187.268 1.549 10 0 ADAERN CS(C)(=O)=Nc1ncccc1F 536950506 352190340 /nfs/dbraw/zinc/19/03/40/352190340.db2.gz IUGQATXIPWWYIF-UHFFFAOYSA-N 0 0 188.227 1.580 10 0 ADAERN CCn1nccc1N=S(C)(C)=O 536950893 352190588 /nfs/dbraw/zinc/19/05/88/352190588.db2.gz LPOZUHMPAQJOCK-UHFFFAOYSA-N 0 0 187.268 1.262 10 0 ADAERN CC[S@](=N)(=O)C(C)(C)C 536956757 352193578 /nfs/dbraw/zinc/19/35/78/352193578.db2.gz BFTDMULWAJUYHW-VIFPVBQESA-N 0 0 149.259 1.852 10 0 ADAERN CC[S@@](=N)(=O)C1CCCC1 536956961 352193581 /nfs/dbraw/zinc/19/35/81/352193581.db2.gz DNZWMYRYWXZDLU-SNVBAGLBSA-N 0 0 161.270 1.996 10 0 ADAERN CC(C)(C)[S@@](=N)(=O)C1CC1 536957611 352193586 /nfs/dbraw/zinc/19/35/86/352193586.db2.gz IEAQYFZZVUIOCR-JTQLQIEISA-N 0 0 161.270 1.994 10 0 ADAERN CC[S@@](=N)(=O)C(C)(C)C 536956752 352193658 /nfs/dbraw/zinc/19/36/58/352193658.db2.gz BFTDMULWAJUYHW-SECBINFHSA-N 0 0 149.259 1.852 10 0 ADAERN CCC[S@](=N)(=O)CC 536957661 352193734 /nfs/dbraw/zinc/19/37/34/352193734.db2.gz JIOVDNOPFDGVAR-MRVPVSSYSA-N 0 0 135.232 1.463 10 0 ADAERN CC[S@](=N)(=O)C1CCCC1 536956942 352193771 /nfs/dbraw/zinc/19/37/71/352193771.db2.gz DNZWMYRYWXZDLU-JTQLQIEISA-N 0 0 161.270 1.996 10 0 ADAERN CC[S@@](=N)(=O)C1CC1 536957629 352193785 /nfs/dbraw/zinc/19/37/85/352193785.db2.gz JCNFCTPRWHMMEA-MRVPVSSYSA-N 0 0 133.216 1.215 10 0 ADAERN CCC[S@](=N)(=O)C1CC1 536958530 352194139 /nfs/dbraw/zinc/19/41/39/352194139.db2.gz PTBWHKUBKVEJEI-VIFPVBQESA-N 0 0 147.243 1.606 10 0 ADAERN CCC[S@](=N)(=O)C(C)C 536957924 352194198 /nfs/dbraw/zinc/19/41/98/352194198.db2.gz LZOOOWNCTFGDDH-VIFPVBQESA-N 0 0 149.259 1.852 10 0 ADAERN CCC[S@@](=N)(=O)C1CC1 536958527 352194255 /nfs/dbraw/zinc/19/42/55/352194255.db2.gz PTBWHKUBKVEJEI-SECBINFHSA-N 0 0 147.243 1.606 10 0 ADAERN CCC[S@@](=N)(=O)C(C)C 536957913 352194337 /nfs/dbraw/zinc/19/43/37/352194337.db2.gz LZOOOWNCTFGDDH-SECBINFHSA-N 0 0 149.259 1.852 10 0 ADAERN Fc1ccccc1C1OCCCO1 575110648 352195501 /nfs/dbraw/zinc/19/55/01/352195501.db2.gz NMKPLQGOWXOLEF-UHFFFAOYSA-N 0 0 181.186 1.902 10 0 ADAERN Fc1cccnc1 575109555 352195551 /nfs/dbraw/zinc/19/55/51/352195551.db2.gz LLAYSEALBNOEBG-UHFFFAOYSA-N 0 0 96.084 1.241 10 0 in-vitro ADAERN CCOc1ccccc1 575110647 352195555 /nfs/dbraw/zinc/19/55/55/352195555.db2.gz LBMSXRACLVQZMA-UHFFFAOYSA-N 0 0 121.159 1.836 10 0 ADAERN CSc1ccccn1 575088864 352195574 /nfs/dbraw/zinc/19/55/74/352195574.db2.gz YBKWYCLFNBNHSZ-UHFFFAOYSA-N 0 0 125.196 1.463 10 0 ADAERN Clc1cccnc1 575109551 352195603 /nfs/dbraw/zinc/19/56/03/352195603.db2.gz GIYREAQCHJEBPA-UHFFFAOYSA-N 0 0 113.547 1.339 10 0 ADAERN Cc1ccc(F)nc1 575088848 352195608 /nfs/dbraw/zinc/19/56/08/352195608.db2.gz SIHHLCFYRBRNEU-UHFFFAOYSA-N 0 0 111.119 1.459 10 0 in-vitro ADAERN Fc1ccncc1 575098810 352195619 /nfs/dbraw/zinc/19/56/19/352195619.db2.gz DXUFDFFFAFOTKQ-UHFFFAOYSA-N 0 0 97.092 1.069 10 0 in-vitro ADAERN COC(=O)c1cccc(Cl)c1 575110641 352195641 /nfs/dbraw/zinc/19/56/41/352195641.db2.gz XTXGNJUDUUZFEL-UHFFFAOYSA-N 0 0 169.587 1.581 10 0 ADAERN Clc1ccccn1 575109557 352195665 /nfs/dbraw/zinc/19/56/65/352195665.db2.gz YCIDGIPCEDNATC-UHFFFAOYSA-N 0 0 113.547 1.339 10 0 ADAERN Fc1ccccc1C1OCCCO1 575110652 352195668 /nfs/dbraw/zinc/19/56/68/352195668.db2.gz VSHXKYXIYBTPBE-UHFFFAOYSA-N 0 0 181.186 1.902 10 0 ADAERN CC1=S=CN=C1 575088869 352195676 /nfs/dbraw/zinc/19/56/76/352195676.db2.gz ZKRHDJBFJCZZSE-UHFFFAOYSA-N 0 0 99.158 1.101 10 0 ADAERN c1ccc(C2OCCCO2)cc1 575110642 352195702 /nfs/dbraw/zinc/19/57/02/352195702.db2.gz CJGSHSBVSHQADM-UHFFFAOYSA-N 0 0 163.196 1.605 10 0 ADAERN COc1ccccc1C1OCCCO1 575110643 352195725 /nfs/dbraw/zinc/19/57/25/352195725.db2.gz DKUUVCJCTFJPJH-UHFFFAOYSA-N 0 0 193.222 1.579 10 0 ADAERN Fc1cccnc1F 575109558 352195728 /nfs/dbraw/zinc/19/57/28/352195728.db2.gz ZGILQHMYVMQGQA-UHFFFAOYSA-N 0 0 114.074 1.538 10 0 in-vitro ADAERN c1ccc2c(c1)OCCO2 575110651 352195738 /nfs/dbraw/zinc/19/57/38/352195738.db2.gz UOULPIROYKBLSV-UHFFFAOYSA-N 0 0 135.142 1.174 10 0 ADAERN Clc1ccccn1 575109552 352195747 /nfs/dbraw/zinc/19/57/47/352195747.db2.gz JNJOQDNFAFRIHZ-UHFFFAOYSA-N 0 0 112.539 1.510 10 0 in-vitro ADAERN Brc1ccccn1 575109549 352195750 /nfs/dbraw/zinc/19/57/50/352195750.db2.gz AKDUMMBJNWYDGE-UHFFFAOYSA-N 0 0 157.998 1.495 10 0 ADAERN COc1ccc(C2OCCCO2)cc1 575110649 352195764 /nfs/dbraw/zinc/19/57/64/352195764.db2.gz RJKIEUSOAQTAOO-UHFFFAOYSA-N 0 0 193.222 1.579 10 0 ADAERN Clc1ccncc1 575105849 352195768 /nfs/dbraw/zinc/19/57/68/352195768.db2.gz SBPBSHZSCDCVDW-UHFFFAOYSA-N 0 0 112.539 1.510 10 0 in-vitro ADAERN Cc1ccncc1Br 575180693 352196058 /nfs/dbraw/zinc/19/60/58/352196058.db2.gz OBHQNHQOFYBVID-UHFFFAOYSA-N 0 0 172.025 1.885 10 0 ADAERN c1ccc(N2CCCCC2)nc1 575180720 352196069 /nfs/dbraw/zinc/19/60/69/352196069.db2.gz UTGIBRNTWLWOSS-UHFFFAOYSA-N 0 0 162.236 1.586 10 0 ADAERN CCOCCOc1ccccc1 575191155 352196095 /nfs/dbraw/zinc/19/60/95/352196095.db2.gz HLQXHIQDNZGYMR-UHFFFAOYSA-N 0 0 165.212 1.853 10 0 ADAERN Cc1cccc(C)n1 575180727 352196106 /nfs/dbraw/zinc/19/61/06/352196106.db2.gz VHILRDBYGIAQAR-UHFFFAOYSA-N 0 0 107.156 1.552 10 0 ADAERN COC(=O)c1ccccc1 575182143 352196125 /nfs/dbraw/zinc/19/61/25/352196125.db2.gz OMCQSRFUPGZVLJ-UHFFFAOYSA-N 0 0 135.142 1.015 10 0 ADAERN Clc1cccc(Cl)n1 575180670 352196152 /nfs/dbraw/zinc/19/61/52/352196152.db2.gz JAYLHBYITJDXDF-UHFFFAOYSA-N 0 0 147.992 1.905 10 0 ADAERN COc1cccc(C)n1 575180705 352196154 /nfs/dbraw/zinc/19/61/54/352196154.db2.gz QCEJTIKEUAVUHS-UHFFFAOYSA-N 0 0 123.155 1.136 10 0 ADAERN Clc1ccnc(Cl)n1 575180701 352196159 /nfs/dbraw/zinc/19/61/59/352196159.db2.gz PEWFSLFQVGYMHG-UHFFFAOYSA-N 0 0 148.980 1.377 10 0 ADAERN FC(F)(F)c1cccnc1 575180735 352196182 /nfs/dbraw/zinc/19/61/82/352196182.db2.gz ZGIQINGWPCNUKN-UHFFFAOYSA-N 0 0 147.099 1.705 10 0 ADAERN c1cnc(N2CCCCC2)nc1 575180730 352196201 /nfs/dbraw/zinc/19/62/01/352196201.db2.gz WRQKLYBXZDHUHY-UHFFFAOYSA-N 0 0 163.224 1.058 10 0 ADAERN Fc1cccnc1F 575180733 352196215 /nfs/dbraw/zinc/19/62/15/352196215.db2.gz XRIQUYBBZVRKEG-UHFFFAOYSA-N 0 0 115.082 1.367 10 0 ADAERN Clc1ccc(Cl)nc1 575180728 352196230 /nfs/dbraw/zinc/19/62/30/352196230.db2.gz WQEGSZHYUNOEAJ-UHFFFAOYSA-N 0 0 147.992 1.905 10 0 ADAERN Fc1ccccc1CN1CCOCC1 575191156 352196246 /nfs/dbraw/zinc/19/62/46/352196246.db2.gz HSACTQQWXVNQMV-UHFFFAOYSA-N 0 0 194.229 1.471 10 0 ADAERN CCOCCOc1ccccc1OC 575191130 352196262 /nfs/dbraw/zinc/19/62/62/352196262.db2.gz FVGAEIMGGAJKMG-UHFFFAOYSA-N 0 0 195.238 1.827 10 0 ADAERN Fc1ccc(Cl)cn1 575180712 352196285 /nfs/dbraw/zinc/19/62/85/352196285.db2.gz UJZOXRUGJHIHDD-UHFFFAOYSA-N 0 0 131.537 1.636 10 0 ADAERN CN(C)c1ccccc1 575190636 352196344 /nfs/dbraw/zinc/19/63/44/352196344.db2.gz QWNWRMVDVJCDKD-UHFFFAOYSA-N 0 0 120.175 1.361 10 0 ADAERN c1ccc(N2CCCC2)nc1 575180692 352196347 /nfs/dbraw/zinc/19/63/47/352196347.db2.gz NGKNRUKSOGJADN-UHFFFAOYSA-N 0 0 148.209 1.196 10 0 ADAERN COC(=O)c1ccccc1 575182146 352196388 /nfs/dbraw/zinc/19/63/88/352196388.db2.gz XBWFJHRAEVHAES-UHFFFAOYSA-N 0 0 135.142 1.015 10 0 ADAERN c1ccc2ncccc2c1 575180691 352196411 /nfs/dbraw/zinc/19/64/11/352196411.db2.gz NEIKDZNHTVVTJX-UHFFFAOYSA-N 0 0 129.162 1.639 10 0 ADAERN CCOc1ccccc1OC 575191242 352197020 /nfs/dbraw/zinc/19/70/20/352197020.db2.gz UFKNMVXKXPUCCZ-UHFFFAOYSA-N 0 0 151.185 1.810 10 0 ADAERN COCCCOCc1ccccc1 575191328 352196807 /nfs/dbraw/zinc/19/68/07/352196807.db2.gz UBLVCBROZVGDRH-UHFFFAOYSA-N 0 0 179.239 1.895 10 0 ADAERN FCCOCc1ccccc1 575191315 352196855 /nfs/dbraw/zinc/19/68/55/352196855.db2.gz MLNJIIAJHIRCDK-UHFFFAOYSA-N 0 0 153.176 1.828 10 0 ADAERN CCOCc1ccccc1 575191214 352196862 /nfs/dbraw/zinc/19/68/62/352196862.db2.gz QVNRSMUFPNKTRL-UHFFFAOYSA-N 0 0 135.186 1.878 10 0 ADAERN Brc1ccncc1 575192119 352196876 /nfs/dbraw/zinc/19/68/76/352196876.db2.gz ZRGSJQMSPVHPFD-UHFFFAOYSA-N 0 0 157.998 1.495 10 0 ADAERN COC(=O)c1cccc(C)c1 575191304 352196893 /nfs/dbraw/zinc/19/68/93/352196893.db2.gz GQJMZIVTVNZKNJ-UHFFFAOYSA-N 0 0 149.169 1.405 10 0 ADAERN Fc1cccc(CN2CCOCC2)c1 575191231 352196903 /nfs/dbraw/zinc/19/69/03/352196903.db2.gz STOKLHRITRLIHD-UHFFFAOYSA-N 0 0 194.229 1.471 10 0 ADAERN O=c1ccc2ccccc2o1 575191348 352196921 /nfs/dbraw/zinc/19/69/21/352196921.db2.gz HQLCBQIIVUIZIA-UHFFFAOYSA-N 0 0 145.137 1.283 10 0 ADAERN FC1(F)Oc2ccccc2O1 575191274 352196982 /nfs/dbraw/zinc/19/69/82/352196982.db2.gz WVAFIKJZZRVSES-UHFFFAOYSA-N 0 0 157.095 1.724 10 0 ADAERN [NH3+][C@H]1CC[C@H](/C=C/C(=O)[O-])CC1 575431727 352201006 /nfs/dbraw/zinc/20/10/06/352201006.db2.gz XSYUXCLADYTYDK-VRAMUHTOSA-N 0 0 169.224 1.145 10 0 ADAERN C=C(C)Br 575349208 352197347 /nfs/dbraw/zinc/19/73/47/352197347.db2.gz ARGWDWYPVPLZCM-UHFFFAOYSA-N 0 0 119.969 1.729 10 0 ADAERN CCOC(=O)c1ccccc1 575357062 352197385 /nfs/dbraw/zinc/19/73/85/352197385.db2.gz USYPYELZFXSBHN-UHFFFAOYSA-N 0 0 149.169 1.405 10 0 ADAERN COC(=O)C=Cc1ccc(C)cc1 575356877 352197390 /nfs/dbraw/zinc/19/73/90/352197390.db2.gz JSDHTHVFWXOERY-BQYQJAHWSA-N 0 0 175.207 1.972 10 0 ADAERN CCOC(=O)c1ccccc1 575318935 352197395 /nfs/dbraw/zinc/19/73/95/352197395.db2.gz UGLCOGJQXHPGQS-UHFFFAOYSA-N 0 0 149.169 1.405 10 0 ADAERN CCCOc1ccccn1 575356804 352197403 /nfs/dbraw/zinc/19/74/03/352197403.db2.gz BCAQWCQRWIMBDC-UHFFFAOYSA-N 0 0 137.182 1.526 10 0 ADAERN CC(C)OC(=O)[C@@H](N)Cc1ccco1 575407956 352197452 /nfs/dbraw/zinc/19/74/52/352197452.db2.gz ZYNQNPMDTUIUBT-VIFPVBQESA-N 0 0 197.234 1.101 10 0 ADAERN COC(=O)c1ccccc1F 575357067 352197479 /nfs/dbraw/zinc/19/74/79/352197479.db2.gz VLOIPCPUPIEQFS-UHFFFAOYSA-N 0 0 153.132 1.312 10 0 ADAERN CSc1ccncn1 575399447 352197483 /nfs/dbraw/zinc/19/74/83/352197483.db2.gz BJJXUNFOPCGIOB-UHFFFAOYSA-N 0 0 125.176 1.107 10 0 ADAERN CCOC(=O)C1CCC1 575242872 352197491 /nfs/dbraw/zinc/19/74/91/352197491.db2.gz SEASGZAFLZQQSR-UHFFFAOYSA-N 0 0 127.163 1.308 10 0 ADAERN ON1C=CC=CC1S 575332120 352197524 /nfs/dbraw/zinc/19/75/24/352197524.db2.gz MBVMPWFWJVHEST-UHFFFAOYSA-N 0 0 128.176 1.180 10 0 ADAERN COC(=O)c1ccccc1C 575357040 352197548 /nfs/dbraw/zinc/19/75/48/352197548.db2.gz SGEJADUVHHHWGC-UHFFFAOYSA-N 0 0 149.169 1.405 10 0 ADAERN CCOC(=O)c1cccnc1Cl 575356939 352197566 /nfs/dbraw/zinc/19/75/66/352197566.db2.gz NCFJCMRKFHLREH-UHFFFAOYSA-N 0 0 185.610 1.272 10 0 ADAERN COC(=O)c1ccc(C)cc1 575356972 352197573 /nfs/dbraw/zinc/19/75/73/352197573.db2.gz PDXCXORXPVJJJG-UHFFFAOYSA-N 0 0 149.169 1.405 10 0 ADAERN COC(=O)c1ccc(F)cc1 575356966 352197576 /nfs/dbraw/zinc/19/75/76/352197576.db2.gz OSRVFNOMHYHZPS-UHFFFAOYSA-N 0 0 153.132 1.312 10 0 ADAERN C[Si](C)(C)C1=S=CC=N1 575319542 352197588 /nfs/dbraw/zinc/19/75/88/352197588.db2.gz MPMWNKJHXVSHKK-UHFFFAOYSA-N 0 0 157.314 1.245 10 0 ADAERN CC(C)OC(=O)[C@H](N)Cc1ccco1 575407955 352197604 /nfs/dbraw/zinc/19/76/04/352197604.db2.gz ZYNQNPMDTUIUBT-SECBINFHSA-N 0 0 197.234 1.101 10 0 ADAERN c1ccc2[nH]ccc2c1 575318933 352197610 /nfs/dbraw/zinc/19/76/10/352197610.db2.gz KDGRGKROOOCFNZ-UHFFFAOYSA-N 0 0 116.143 1.287 10 0 ADAERN CC1CC1 575356911 352197627 /nfs/dbraw/zinc/19/76/27/352197627.db2.gz LWMXAOBKDKCIOW-UHFFFAOYSA-N 0 0 55.100 1.230 10 0 in-vitro ADAERN COC(=O)c1ccc(C)cc1OC 575356807 352197635 /nfs/dbraw/zinc/19/76/35/352197635.db2.gz BKXKIHVSPVLRJF-UHFFFAOYSA-N 0 0 179.195 1.390 10 0 ADAERN c1ccc(Cn2cccn2)cc1 575356870 352197676 /nfs/dbraw/zinc/19/76/76/352197676.db2.gz IWATVSQZJMSIEJ-UHFFFAOYSA-N 0 0 158.204 1.633 10 0 ADAERN CSc1nccc(Cl)n1 575356799 352197721 /nfs/dbraw/zinc/19/77/21/352197721.db2.gz ARNGYSFAJWMRRL-UHFFFAOYSA-N 0 0 160.629 1.501 10 0 ADAERN CCCCC(=O)OCC 575242803 352197732 /nfs/dbraw/zinc/19/77/32/352197732.db2.gz NXLWUNOMNYXFED-UHFFFAOYSA-N 0 0 129.179 1.554 10 0 ADAERN O=CNc1c(Cl)ccnc1Cl 575332413 352197735 /nfs/dbraw/zinc/19/77/35/352197735.db2.gz JNGKFXCPQKHGBG-UHFFFAOYSA-N 0 0 191.017 1.957 10 0 ADAERN COC(=O)c1ccc2ccccc2c1 575356900 352197751 /nfs/dbraw/zinc/19/77/51/352197751.db2.gz LTUWSDITLJJJCH-UHFFFAOYSA-N 0 0 185.202 1.881 10 0 ADAERN c1cnn(Cc2ccncc2)c1 575356823 352197757 /nfs/dbraw/zinc/19/77/57/352197757.db2.gz CBEBCDSJEQJYSO-UHFFFAOYSA-N 0 0 159.192 1.028 10 0 ADAERN CCOC(=O)C(Cl)Cl 575356869 352197767 /nfs/dbraw/zinc/19/77/67/352197767.db2.gz ITSQQJDPRHKDFA-UHFFFAOYSA-N 0 0 155.988 1.517 10 0 ADAERN COC(=O)c1cccc(F)c1 575356956 352197769 /nfs/dbraw/zinc/19/77/69/352197769.db2.gz OFHBEOMCWNEXMV-UHFFFAOYSA-N 0 0 153.132 1.312 10 0 ADAERN CCCSc1ncccn1 575356847 352197790 /nfs/dbraw/zinc/19/77/90/352197790.db2.gz DGQHGNYZAYHICT-UHFFFAOYSA-N 0 0 154.238 1.715 10 0 ADAERN Cn1ccnc1C(C)(C)C 575329065 352197803 /nfs/dbraw/zinc/19/78/03/352197803.db2.gz WNPKTOCRRBBZDW-UHFFFAOYSA-N 0 0 137.206 1.651 10 0 ADAERN CCCOc1cccnc1 575356803 352197820 /nfs/dbraw/zinc/19/78/20/352197820.db2.gz ATJKITYXBNZMJE-UHFFFAOYSA-N 0 0 137.182 1.526 10 0 ADAERN CCCF 575356934 352197826 /nfs/dbraw/zinc/19/78/26/352197826.db2.gz NAPSCMHHIWMNIJ-UHFFFAOYSA-N 0 0 61.079 1.180 10 0 ADAERN CC(C)(C)OC(=O)n1cccn1 575356880 352197830 /nfs/dbraw/zinc/19/78/30/352197830.db2.gz KCZNSCXRQDBIIC-UHFFFAOYSA-N 0 0 168.196 1.368 10 0 ADAERN COC(=O)c1ccc(F)cc1 575357088 352197835 /nfs/dbraw/zinc/19/78/35/352197835.db2.gz YGZOIZKCIOWHGK-UHFFFAOYSA-N 0 0 153.132 1.312 10 0 ADAERN CCOC(=O)C(F)C(F)(F)F 575242705 352197844 /nfs/dbraw/zinc/19/78/44/352197844.db2.gz HNMVJFPKBRFBFV-UHFFFAOYSA-N 0 0 173.085 1.613 10 0 ADAERN Nc1cc(=O)n(Cc2ccccc2)o1 575421857 352198917 /nfs/dbraw/zinc/19/89/17/352198917.db2.gz GUJCLAANFYCKRH-UHFFFAOYSA-N 0 0 190.202 1.072 10 0 ADAERN NC(=S)c1cc(Cl)co1 575423901 352199576 /nfs/dbraw/zinc/19/95/76/352199576.db2.gz SLDBOBXYFJDKNG-UHFFFAOYSA-N 0 0 161.613 1.567 10 0 ADAERN CCOc1cc(C)cc(CO)c1 575423654 352199678 /nfs/dbraw/zinc/19/96/78/352199678.db2.gz YGAQEYCLSNKRPD-UHFFFAOYSA-N 0 0 166.220 1.886 10 0 ADAERN N=C(N)c1cc(Cl)co1 575424239 352200203 /nfs/dbraw/zinc/20/02/03/352200203.db2.gz XOGRCIZIOSFZOX-UHFFFAOYSA-N 0 0 144.561 1.217 10 0 ADAERN O=c1[nH]cnc2cc(Cl)ncc12 575434064 352201955 /nfs/dbraw/zinc/20/19/55/352201955.db2.gz DVECITGQRKHHAF-UHFFFAOYSA-N 0 0 181.582 1.384 10 0 ADAERN O=C(c1cocn1)C1CC1 575433804 352201638 /nfs/dbraw/zinc/20/16/38/352201638.db2.gz KJGZSCDRKONKRB-UHFFFAOYSA-N 0 0 137.138 1.267 10 0 ADAERN CC(=O)c1ccnnc1Cl 575433826 352201810 /nfs/dbraw/zinc/20/18/10/352201810.db2.gz MALAYONEOIGLEC-UHFFFAOYSA-N 0 0 156.572 1.333 10 0 ADAERN NC(=O)c1c(C2CC2)ccnc1Cl 575434081 352201940 /nfs/dbraw/zinc/20/19/40/352201940.db2.gz IYODEULHIATOHN-UHFFFAOYSA-N 0 0 196.637 1.711 10 0 ADAERN C[C@H](O)c1cncnc1Cl 575433948 352202028 /nfs/dbraw/zinc/20/20/28/352202028.db2.gz ZGARIVGTBZUNRN-BYPYZUCNSA-N 0 0 158.588 1.183 10 0 ADAERN Cc1nccn1[C@H]1CCCCC1=O 575433957 352202033 /nfs/dbraw/zinc/20/20/33/352202033.db2.gz ZWFXYFMCRBKBCH-VIFPVBQESA-N 0 0 178.235 1.876 10 0 ADAERN NNc1cnnc2ccc(F)cc12 575434292 352202042 /nfs/dbraw/zinc/20/20/42/352202042.db2.gz LBMBNVIIXOHRBB-UHFFFAOYSA-N 0 0 178.170 1.055 10 0 ADAERN CN(C)C(=O)c1csc(N)c1 575434314 352202049 /nfs/dbraw/zinc/20/20/49/352202049.db2.gz NBRUZXMVFAROKE-UHFFFAOYSA-N 0 0 170.237 1.032 10 0 ADAERN O=Cc1cncc(Br)n1 575434200 352202092 /nfs/dbraw/zinc/20/20/92/352202092.db2.gz RNJXCGCZAXKCOL-UHFFFAOYSA-N 0 0 186.996 1.052 10 0 ADAERN Cc1nccn1[C@@H]1CCCCC1=O 575433956 352202108 /nfs/dbraw/zinc/20/21/08/352202108.db2.gz ZWFXYFMCRBKBCH-SECBINFHSA-N 0 0 178.235 1.876 10 0 ADAERN NNc1cnnc2c(F)cccc12 575434038 352202131 /nfs/dbraw/zinc/20/21/31/352202131.db2.gz DDPXZSPRBWOESQ-UHFFFAOYSA-N 0 0 178.170 1.055 10 0 ADAERN CCCN1C(=O)C(=O)c2cccnc21 575434437 352202199 /nfs/dbraw/zinc/20/21/99/352202199.db2.gz XZWKMQARWPBRNQ-UHFFFAOYSA-N 0 0 190.202 1.021 10 0 ADAERN Nc1ccc2ccn(C3COC3)c2c1 575434298 352202235 /nfs/dbraw/zinc/20/22/35/352202235.db2.gz LJKNVDXQWXKLRT-UHFFFAOYSA-N 0 0 188.230 1.795 10 0 ADAERN Cc1ccc2c(NN)cnnc2c1C 575434353 352202237 /nfs/dbraw/zinc/20/22/37/352202237.db2.gz QBVMXKHWDRKYFE-UHFFFAOYSA-N 0 0 188.234 1.532 10 0 ADAERN CC(C)(C)c1cc[nH]c(=O)c1C(N)=O 575434100 352202251 /nfs/dbraw/zinc/20/22/51/352202251.db2.gz JYZXATLCKQKTSV-UHFFFAOYSA-N 0 0 194.234 1.184 10 0 ADAERN NNc1cnnc2c(Cl)cccc12 575434445 352202254 /nfs/dbraw/zinc/20/22/54/352202254.db2.gz YOSMVDSVLMFTCW-UHFFFAOYSA-N 0 0 194.625 1.569 10 0 ADAERN CCOC(=O)c1scc(N)c1N 575434359 352202257 /nfs/dbraw/zinc/20/22/57/352202257.db2.gz QRBOZELWTNJYPH-UHFFFAOYSA-N 0 0 186.236 1.089 10 0 ADAERN C[C@@H](O)c1cncnc1Cl 575433949 352202264 /nfs/dbraw/zinc/20/22/64/352202264.db2.gz ZGARIVGTBZUNRN-SCSAIBSYSA-N 0 0 158.588 1.183 10 0 ADAERN Cc1cccc2c(NN)cnnc12 575434308 352202266 /nfs/dbraw/zinc/20/22/66/352202266.db2.gz MOODUUFJPQESCK-UHFFFAOYSA-N 0 0 174.207 1.224 10 0 ADAERN FC(F)(F)c1cc2n[nH]nc2cn1 575434228 352202268 /nfs/dbraw/zinc/20/22/68/352202268.db2.gz VDUYRAVHEYTCJJ-UHFFFAOYSA-N 0 0 188.112 1.372 10 0 ADAERN CC(C)c1ccnc(Cl)c1C(N)=O 575434111 352202275 /nfs/dbraw/zinc/20/22/75/352202275.db2.gz KKIHJWFCTPJDMB-UHFFFAOYSA-N 0 0 198.653 1.957 10 0 ADAERN Nc1ccc2c(ccn2C2COC2)c1 575434348 352202277 /nfs/dbraw/zinc/20/22/77/352202277.db2.gz PHPBSNOMBZMYFS-UHFFFAOYSA-N 0 0 188.230 1.795 10 0 ADAERN CC(C)(O)c1cncnc1Cl 575433918 352202279 /nfs/dbraw/zinc/20/22/79/352202279.db2.gz WGFYXCXSVXAQTF-UHFFFAOYSA-N 0 0 172.615 1.357 10 0 ADAERN CCc1c2[nH]c(OC)ccc-2[nH]c1=O 575438754 352203115 /nfs/dbraw/zinc/20/31/15/352203115.db2.gz HYNIZRUXUXQWIA-UHFFFAOYSA-N 0 0 192.218 1.840 10 0 ADAERN CCc1c2[nH]cccc-2[nH]c1=O 575438737 352203143 /nfs/dbraw/zinc/20/31/43/352203143.db2.gz GAXHGYODLSOJJR-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN COc1ccc2[nH]c(=O)c(C)c-2[nH]1 575438933 352203288 /nfs/dbraw/zinc/20/32/88/352203288.db2.gz OPQWUVYCJOHDIL-UHFFFAOYSA-N 0 0 178.191 1.586 10 0 ADAERN [NH3+][C@H](CCF)c1ccccc1C(=O)[O-] 575438937 352203332 /nfs/dbraw/zinc/20/33/32/352203332.db2.gz HBJUPZZUVQHUND-SECBINFHSA-N 0 0 197.209 1.744 10 0 ADAERN Cc1c2[nH]cccc-2[nH]c1=O 575438772 352203358 /nfs/dbraw/zinc/20/33/58/352203358.db2.gz JGMUKKUOJSAPDV-UHFFFAOYSA-N 0 0 148.165 1.577 10 0 ADAERN [NH3+][C@H](CCF)c1ccc(C(=O)[O-])cc1 575438752 352203530 /nfs/dbraw/zinc/20/35/30/352203530.db2.gz HSMDNIYOFJVDDP-SECBINFHSA-N 0 0 197.209 1.744 10 0 ADAERN [NH3+][C@@H](CCF)c1ccc(C(=O)[O-])cc1 575438229 352203627 /nfs/dbraw/zinc/20/36/27/352203627.db2.gz HSMDNIYOFJVDDP-VIFPVBQESA-N 0 0 197.209 1.744 10 0 ADAERN CC1=CC2=NC(=O)CC2=C(C)N1 575439063 352203869 /nfs/dbraw/zinc/20/38/69/352203869.db2.gz RJVAHJQQTJYGEE-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN Nc1cc(F)cc2c1NC(=O)C2 575439163 352203945 /nfs/dbraw/zinc/20/39/45/352203945.db2.gz VTIVXFFUHONHEE-UHFFFAOYSA-N 0 0 166.155 1.595 10 0 ADAERN [NH3+][C@@H](CCF)c1ccccc1C(=O)[O-] 575439560 352204075 /nfs/dbraw/zinc/20/40/75/352204075.db2.gz HBJUPZZUVQHUND-VIFPVBQESA-N 0 0 197.209 1.744 10 0 ADAERN CCC1=CC2=NC(=O)CC2=CN1 575439132 352204097 /nfs/dbraw/zinc/20/40/97/352204097.db2.gz UDMTUAFOWCFGNA-UHFFFAOYSA-N 0 0 162.192 1.831 10 0 ADAERN CC(=O)Oc1c[nH]c2cccc(N)c12 575440594 352204657 /nfs/dbraw/zinc/20/46/57/352204657.db2.gz VTYVKCZZZSERET-UHFFFAOYSA-N 0 0 190.202 1.675 10 0 ADAERN O[C@@H]1C=CN2CCc3ccccc3C2=C1 575440317 352204876 /nfs/dbraw/zinc/20/48/76/352204876.db2.gz IXXMQIDGVBCETP-LLVKDONJSA-N 0 0 199.253 1.774 10 0 ADAERN O[C@H]1C=CN2CCc3ccccc3C2=C1 575440318 352204941 /nfs/dbraw/zinc/20/49/41/352204941.db2.gz IXXMQIDGVBCETP-NSHDSACASA-N 0 0 199.253 1.774 10 0 ADAERN O=C1Nc2ncc(Cl)cc2C12CC2 575440993 352205257 /nfs/dbraw/zinc/20/52/57/352205257.db2.gz GHJCUJOQYADFSY-UHFFFAOYSA-N 0 0 194.621 1.719 10 0 ADAERN COC(=O)c1ncnc2sccc12 575441193 352205295 /nfs/dbraw/zinc/20/52/95/352205295.db2.gz YWTPIRWSBCEFKJ-UHFFFAOYSA-N 0 0 194.215 1.478 10 0 ADAERN c1ccc2sncc2c1 575441777 352205316 /nfs/dbraw/zinc/20/53/16/352205316.db2.gz ATNYBKUKKLIYBL-UHFFFAOYSA-N 0 0 135.191 1.731 10 0 ADAERN OCc1ncc(C2CC2)s1 575440812 352205398 /nfs/dbraw/zinc/20/53/98/352205398.db2.gz HSSWIPLRDQRDDZ-UHFFFAOYSA-N 0 0 155.222 1.513 10 0 ADAERN c1ccc2sncc2c1 575441764 352205566 /nfs/dbraw/zinc/20/55/66/352205566.db2.gz ADQSIAPQVCXISX-UHFFFAOYSA-N 0 0 135.191 1.731 10 0 ADAERN O=C1CCCN1c1ccnc(Cl)c1 575440847 352205580 /nfs/dbraw/zinc/20/55/80/352205580.db2.gz MTBKRXNIKWEOQF-UHFFFAOYSA-N 0 0 196.637 1.862 10 0 ADAERN c1ccc2sncc2c1 575441902 352206086 /nfs/dbraw/zinc/20/60/86/352206086.db2.gz FORPMXYEXOFCKQ-UHFFFAOYSA-N 0 0 134.183 1.902 10 0 ADAERN CCc1nc2c(c(=O)[nH]1)CCOCC2 575444872 352206695 /nfs/dbraw/zinc/20/66/95/352206695.db2.gz YDHPIIZZWOJPJR-SSDOTTSWSA-N 0 0 194.234 1.203 10 0 ADAERN CCc1nc2c(c(=O)[nH]1)CCOCC2 575444873 352206705 /nfs/dbraw/zinc/20/67/05/352206705.db2.gz YDHPIIZZWOJPJR-ZETCQYMHSA-N 0 0 194.234 1.203 10 0 ADAERN Cc1ncc(F)c(Cl)n1 575447095 352206791 /nfs/dbraw/zinc/20/67/91/352206791.db2.gz SEVANTZBECTUGA-UHFFFAOYSA-N 0 0 145.544 1.670 10 0 ADAERN Fc1cnc(Cl)nc1Cl 575447226 352206829 /nfs/dbraw/zinc/20/68/29/352206829.db2.gz YWHJFSRLMRLGKY-UHFFFAOYSA-N 0 0 165.962 1.846 10 0 ADAERN COc1ccccc1C[C@@H]([NH3+])OC 575448899 352207299 /nfs/dbraw/zinc/20/72/99/352207299.db2.gz RSYLRXMRVRFUHO-JTQLQIEISA-N 0 0 181.235 1.169 10 0 ADAERN CO[C@@H]([NH3+])Cc1ccccc1C 575448910 352207321 /nfs/dbraw/zinc/20/73/21/352207321.db2.gz UYDXFAXRJSDIHP-SNVBAGLBSA-N 0 0 165.236 1.469 10 0 ADAERN CO[C@@H]([NH3+])Cc1cccc(C)c1 575448830 352207345 /nfs/dbraw/zinc/20/73/45/352207345.db2.gz JTFIOGXFBLQQRT-SNVBAGLBSA-N 0 0 165.236 1.469 10 0 ADAERN CCO[C@@H]([NH3+])Cc1cccc(F)c1 575448890 352207359 /nfs/dbraw/zinc/20/73/59/352207359.db2.gz QMHOWRPPSPTSHL-SNVBAGLBSA-N 0 0 183.226 1.690 10 0 ADAERN CCO[C@@H]([NH3+])Cc1ccccc1OC 575448814 352207368 /nfs/dbraw/zinc/20/73/68/352207368.db2.gz IJBFVXUHLDOHJT-LLVKDONJSA-N 0 0 195.262 1.559 10 0 ADAERN Cn1ncc2ccc(Cl)cc21 575448358 352207394 /nfs/dbraw/zinc/20/73/94/352207394.db2.gz ZTULQZIFLMYHML-UHFFFAOYSA-N 0 0 165.603 1.667 10 0 ADAERN CCO[C@H]([NH3+])Cc1ccc(OC)cc1 575448895 352207398 /nfs/dbraw/zinc/20/73/98/352207398.db2.gz REXXIZJERDALLL-NSHDSACASA-N 0 0 195.262 1.559 10 0 ADAERN COc1ccccc1C[C@H]([NH3+])OC 575448901 352207410 /nfs/dbraw/zinc/20/74/10/352207410.db2.gz RSYLRXMRVRFUHO-SNVBAGLBSA-N 0 0 181.235 1.169 10 0 ADAERN CCO[C@@H]([NH3+])Cc1ccc(OC)cc1 575448894 352207417 /nfs/dbraw/zinc/20/74/17/352207417.db2.gz REXXIZJERDALLL-LLVKDONJSA-N 0 0 195.262 1.559 10 0 ADAERN CO[C@H]([NH3+])Cc1ccccc1C 575448909 352207424 /nfs/dbraw/zinc/20/74/24/352207424.db2.gz UYDXFAXRJSDIHP-JTQLQIEISA-N 0 0 165.236 1.469 10 0 ADAERN CO[C@H]([NH3+])Cc1ccc(C)cc1 575448833 352207430 /nfs/dbraw/zinc/20/74/30/352207430.db2.gz KKKKKFWSMPADPW-JTQLQIEISA-N 0 0 165.236 1.469 10 0 ADAERN CO[C@@H]([NH3+])Cc1ccc(C)cc1 575448834 352207450 /nfs/dbraw/zinc/20/74/50/352207450.db2.gz KKKKKFWSMPADPW-SNVBAGLBSA-N 0 0 165.236 1.469 10 0 ADAERN CCO[C@H]([NH3+])Cc1ccccc1F 575448963 352207474 /nfs/dbraw/zinc/20/74/74/352207474.db2.gz YHIYZHDWMHJXDS-JTQLQIEISA-N 0 0 183.226 1.690 10 0 ADAERN CCO[C@H]([NH3+])Cc1ccccc1OC 575448815 352207482 /nfs/dbraw/zinc/20/74/82/352207482.db2.gz IJBFVXUHLDOHJT-NSHDSACASA-N 0 0 195.262 1.559 10 0 ADAERN CCO[C@H]([NH3+])Cc1cccc(F)c1 575448889 352207489 /nfs/dbraw/zinc/20/74/89/352207489.db2.gz QMHOWRPPSPTSHL-JTQLQIEISA-N 0 0 183.226 1.690 10 0 ADAERN COc1ccc2c(cnn2C)c1 575448631 352207529 /nfs/dbraw/zinc/20/75/29/352207529.db2.gz OFOLJICYIVJRQW-UHFFFAOYSA-N 0 0 161.184 1.075 10 0 ADAERN CCO[C@@H]([NH3+])Cc1ccccc1F 575448964 352207535 /nfs/dbraw/zinc/20/75/35/352207535.db2.gz YHIYZHDWMHJXDS-SNVBAGLBSA-N 0 0 183.226 1.690 10 0 ADAERN CO[C@H]([NH3+])Cc1cccc(C)c1 575448827 352207541 /nfs/dbraw/zinc/20/75/41/352207541.db2.gz JTFIOGXFBLQQRT-JTQLQIEISA-N 0 0 165.236 1.469 10 0 ADAERN CC(F)(F)Cn1cc(N)cn1 575449429 352207838 /nfs/dbraw/zinc/20/78/38/352207838.db2.gz HGOWRWQWYRHJFT-UHFFFAOYSA-N 0 0 161.155 1.121 10 0 ADAERN O=C1CO[C@@H](c2cncs2)C1 575449416 352207855 /nfs/dbraw/zinc/20/78/55/352207855.db2.gz FJTHQROYJZUTIC-ZCFIWIBFSA-N 0 0 169.205 1.174 10 0 ADAERN O=c1[nH]ccn1C1(C(F)F)CC1 575449405 352207860 /nfs/dbraw/zinc/20/78/60/352207860.db2.gz ZQMUCYZWYUPSHU-UHFFFAOYSA-N 0 0 174.150 1.343 10 0 ADAERN Cc1ncc(C(=O)c2ncc[nH]2)s1 575449478 352208006 /nfs/dbraw/zinc/20/80/06/352208006.db2.gz NTJNSWMGPICLBE-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN c1cc2c(cc1C[C@@H]1CO1)COC2 575449505 352208016 /nfs/dbraw/zinc/20/80/16/352208016.db2.gz RDLZXPOQZDHZPJ-LLVKDONJSA-N 0 0 176.215 1.658 10 0 ADAERN CSc1nc(F)ncc1Cl 575449376 352208061 /nfs/dbraw/zinc/20/80/61/352208061.db2.gz RIZMJTNKRRRHJC-UHFFFAOYSA-N 0 0 178.619 1.991 10 0 ADAERN CCSc1ncnc(F)c1N 575449508 352208066 /nfs/dbraw/zinc/20/80/66/352208066.db2.gz RNIRVALUOUTELS-UHFFFAOYSA-N 0 0 173.216 1.310 10 0 ADAERN O=C1CO[C@H](c2cncs2)C1 575449415 352208074 /nfs/dbraw/zinc/20/80/74/352208074.db2.gz FJTHQROYJZUTIC-LURJTMIESA-N 0 0 169.205 1.174 10 0 ADAERN c1cc2c(cc1C[C@H]1CO1)COC2 575449506 352208094 /nfs/dbraw/zinc/20/80/94/352208094.db2.gz RDLZXPOQZDHZPJ-NSHDSACASA-N 0 0 176.215 1.658 10 0 ADAERN CC=C[C@H](O)c1nc(C)c[nH]1 575449487 352208133 /nfs/dbraw/zinc/20/81/33/352208133.db2.gz PBVQVCHCHGKMSG-SDLBARTOSA-N 0 0 152.197 1.328 10 0 ADAERN CC=C[C@@H](O)c1nc(C)c[nH]1 575449486 352208160 /nfs/dbraw/zinc/20/81/60/352208160.db2.gz PBVQVCHCHGKMSG-KGGZQZJCSA-N 0 0 152.197 1.328 10 0 ADAERN O=Cc1nnc(CC2CC2)s1 575449481 352208167 /nfs/dbraw/zinc/20/81/67/352208167.db2.gz OQGYQALRSVLGAS-UHFFFAOYSA-N 0 0 168.221 1.303 10 0 ADAERN Cn1ncc(-c2ccsc2)c1C=O 575449557 352208559 /nfs/dbraw/zinc/20/85/59/352208559.db2.gz AIXQFHWWLQAUKZ-UHFFFAOYSA-N 0 0 192.243 1.961 10 0 ADAERN COC[C@H]1CC(=O)[C@H](C)C1 575449711 352208768 /nfs/dbraw/zinc/20/87/68/352208768.db2.gz NJPMEDILDLMXAG-RNFRBKRXSA-N 0 0 142.198 1.248 10 0 ADAERN O[C@]1(c2ccc[nH]2)CCCSC1 575449868 352208792 /nfs/dbraw/zinc/20/87/92/352208792.db2.gz SUDAAOTZYKBXDT-SECBINFHSA-N 0 0 183.276 1.729 10 0 ADAERN O=C1CCC[C@H]1N1CC(C(F)F)C1 575449889 352208976 /nfs/dbraw/zinc/20/89/76/352208976.db2.gz VBWWKDDOBRLVJC-SSDOTTSWSA-N 0 0 189.205 1.305 10 0 ADAERN O[C@@]1(c2ccc[nH]2)CCCSC1 575449871 352209082 /nfs/dbraw/zinc/20/90/82/352209082.db2.gz SUDAAOTZYKBXDT-VIFPVBQESA-N 0 0 183.276 1.729 10 0 ADAERN COC[C@@H]1CC(=O)[C@H](C)C1 575449712 352209148 /nfs/dbraw/zinc/20/91/48/352209148.db2.gz NJPMEDILDLMXAG-RQJHMYQMSA-N 0 0 142.198 1.248 10 0 ADAERN Cc1cn(CC(F)F)c(=O)[nH]1 575450341 352209240 /nfs/dbraw/zinc/20/92/40/352209240.db2.gz AUYZRMUCRNVAFV-UHFFFAOYSA-N 0 0 162.139 1.162 10 0 ADAERN COC[C@H]1CC(=O)[C@@H](C)C1 575449710 352209264 /nfs/dbraw/zinc/20/92/64/352209264.db2.gz NJPMEDILDLMXAG-NKWVEPMBSA-N 0 0 142.198 1.248 10 0 ADAERN Cn1ncc(N)c1Cc1nccs1 575450489 352209488 /nfs/dbraw/zinc/20/94/88/352209488.db2.gz JKCBLWILGURHRV-UHFFFAOYSA-N 0 0 194.263 1.050 10 0 ADAERN CO[C@]1(C)C[C@@H]1n1cc[nH]c1=S 575450442 352209583 /nfs/dbraw/zinc/20/95/83/352209583.db2.gz HJGZSDLAVTYQNR-POYBYMJQSA-N 0 0 184.264 1.522 10 0 ADAERN C=Cc1ccc(Br)nn1 575450460 352209622 /nfs/dbraw/zinc/20/96/22/352209622.db2.gz QPHYZGOTRHBKKD-UHFFFAOYSA-N 0 0 185.024 1.882 10 0 ADAERN CO[C@@H](C)c1ncc(C=O)o1 575450415 352209660 /nfs/dbraw/zinc/20/96/60/352209660.db2.gz WVLHELBENFWCNM-YFKPBYRVSA-N 0 0 155.153 1.195 10 0 ADAERN CO[C@]1(C)C[C@H]1n1cc[nH]c1=S 575450441 352209715 /nfs/dbraw/zinc/20/97/15/352209715.db2.gz HJGZSDLAVTYQNR-HTRCEHHLSA-N 0 0 184.264 1.522 10 0 ADAERN O=c1[n-]c([C@H]2CCCSCC2)n[nH]1 575450475 352209793 /nfs/dbraw/zinc/20/97/93/352209793.db2.gz DPDAFQFNTHFNAV-LURJTMIESA-N 0 0 199.279 1.511 10 0 ADAERN NC1=[NH+]CC2(CCC(F)(F)CC2)O1 575450468 352209830 /nfs/dbraw/zinc/20/98/30/352209830.db2.gz XRDQOALLRQUILE-UHFFFAOYSA-N 0 0 190.193 1.489 10 0 ADAERN CO[C@@]1(C)C[C@@H]1n1cc[nH]c1=S 575450444 352209865 /nfs/dbraw/zinc/20/98/65/352209865.db2.gz HJGZSDLAVTYQNR-XPUUQOCRSA-N 0 0 184.264 1.522 10 0 ADAERN O=C1Cc2cnc(Cl)nc2N1 575450386 352209882 /nfs/dbraw/zinc/20/98/82/352209882.db2.gz PGHMQDROFUCCMW-UHFFFAOYSA-N 0 0 169.571 1.317 10 0 ADAERN CO[C@H](C)c1ncc(C=O)o1 575450414 352209978 /nfs/dbraw/zinc/20/99/78/352209978.db2.gz WVLHELBENFWCNM-RXMQYKEDSA-N 0 0 155.153 1.195 10 0 ADAERN CO[C@@]1(C)C[C@H]1n1cc[nH]c1=S 575450443 352210029 /nfs/dbraw/zinc/21/00/29/352210029.db2.gz HJGZSDLAVTYQNR-SVRRBLITSA-N 0 0 184.264 1.522 10 0 ADAERN O=c1[n-]c([C@@H]2CCCSCC2)n[nH]1 575450476 352210037 /nfs/dbraw/zinc/21/00/37/352210037.db2.gz DPDAFQFNTHFNAV-ZCFIWIBFSA-N 0 0 199.279 1.511 10 0 ADAERN O[C@]1(C[C@H]2CO2)C[C@H]2C=C[C@@H]1C2 575450579 352210242 /nfs/dbraw/zinc/21/02/42/352210242.db2.gz HFJFDJPKZRCZII-JXUBOQSCSA-N 0 0 166.220 1.102 10 0 ADAERN O[C@@]1(C[C@H]2CO2)C[C@H]2C=C[C@@H]1C2 575450580 352210288 /nfs/dbraw/zinc/21/02/88/352210288.db2.gz HFJFDJPKZRCZII-QCLAVDOMSA-N 0 0 166.220 1.102 10 0 ADAERN CC1(C)OCC[C@@H]1C(N)=S 575450645 352210297 /nfs/dbraw/zinc/21/02/97/352210297.db2.gz MZLHPPHQVPRTIL-RXMQYKEDSA-N 0 0 159.254 1.088 10 0 ADAERN Cc1n[nH]c(C)c1[C@H](O)C1CCC1 575450549 352210318 /nfs/dbraw/zinc/21/03/18/352210318.db2.gz GXHWFJACLQRMJF-SNVBAGLBSA-N 0 0 180.251 1.860 10 0 ADAERN O[C@]1(C[C@@H]2CO2)C[C@H]2C=C[C@@H]1C2 575450577 352210338 /nfs/dbraw/zinc/21/03/38/352210338.db2.gz HFJFDJPKZRCZII-JLIMGVALSA-N 0 0 166.220 1.102 10 0 ADAERN CC1(C)OCC[C@H]1C(N)=S 575450651 352210497 /nfs/dbraw/zinc/21/04/97/352210497.db2.gz MZLHPPHQVPRTIL-YFKPBYRVSA-N 0 0 159.254 1.088 10 0 ADAERN O[C@@]1(C[C@@H]2CO2)C[C@H]2C=C[C@@H]1C2 575450582 352210353 /nfs/dbraw/zinc/21/03/53/352210353.db2.gz HFJFDJPKZRCZII-SGIHWFKDSA-N 0 0 166.220 1.102 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H](O)C1CCC1 575450548 352210406 /nfs/dbraw/zinc/21/04/06/352210406.db2.gz GXHWFJACLQRMJF-JTQLQIEISA-N 0 0 180.251 1.860 10 0 ADAERN O=C(c1ccns1)C12CC(C[NH2+]1)C2 575450682 352210978 /nfs/dbraw/zinc/21/09/78/352210978.db2.gz OPCCZJKZZYVCCP-UHFFFAOYSA-N 0 0 194.259 1.078 10 0 ADAERN Cc1nc(-c2ccsn2)oc1C[NH3+] 575450697 352210988 /nfs/dbraw/zinc/21/09/88/352210988.db2.gz QLKSMVGXZDXEHS-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN O=C1NCCC[C@@H]1Nc1ccsc1 575450748 352211044 /nfs/dbraw/zinc/21/10/44/352211044.db2.gz FQENSIFDOCKVFE-QMMMGPOBSA-N 0 0 196.275 1.439 10 0 ADAERN Fc1cncc(NCC(F)(F)F)n1 575450692 352211101 /nfs/dbraw/zinc/21/11/01/352211101.db2.gz CDKSZWRDAFPHSO-UHFFFAOYSA-N 0 0 195.119 1.590 10 0 ADAERN C[C@H]([NH3+])C(=O)CC1CC=CC1 575450733 352211141 /nfs/dbraw/zinc/21/11/41/352211141.db2.gz GOQZNPHNJAKSBO-ZETCQYMHSA-N 0 0 153.225 1.259 10 0 ADAERN Fc1ccnc(C2CCOCC2)n1 575450833 352211167 /nfs/dbraw/zinc/21/11/67/352211167.db2.gz LEHOEZTZSSABLG-UHFFFAOYSA-N 0 0 182.198 1.510 10 0 ADAERN Cc1nc(Cl)nc(-c2ccc[nH]2)n1 575450751 352211206 /nfs/dbraw/zinc/21/12/06/352211206.db2.gz FWROVVSHFPZJBK-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN O=C1NCCC[C@H]1Nc1ccsc1 575450744 352211232 /nfs/dbraw/zinc/21/12/32/352211232.db2.gz FQENSIFDOCKVFE-MRVPVSSYSA-N 0 0 196.275 1.439 10 0 ADAERN Cc1ncc([C@@]2([NH3+])CCCOC2)s1 575450826 352211293 /nfs/dbraw/zinc/21/12/93/352211293.db2.gz VJRCPAZIRKLSBW-SECBINFHSA-N 0 0 198.291 1.416 10 0 ADAERN Cc1ncc([C@]2([NH3+])CCCOC2)s1 575450831 352211287 /nfs/dbraw/zinc/21/12/87/352211287.db2.gz VJRCPAZIRKLSBW-VIFPVBQESA-N 0 0 198.291 1.416 10 0 ADAERN Fc1cnc2c(n1)CCCC2 575450924 352211763 /nfs/dbraw/zinc/21/17/63/352211763.db2.gz KWOPSBBRYALSRC-UHFFFAOYSA-N 0 0 152.172 1.495 10 0 ADAERN Cc1c(NC[Si](C)(C)C)nnn1C 575450985 352211888 /nfs/dbraw/zinc/21/18/88/352211888.db2.gz GUOBCUUUOGOXMR-UHFFFAOYSA-N 0 0 198.346 1.413 10 0 ADAERN CNNc1cc(Cl)nnc1Cl 575450942 352211981 /nfs/dbraw/zinc/21/19/81/352211981.db2.gz MNEASELVJPVEOQ-UHFFFAOYSA-N 0 0 193.037 1.330 10 0 ADAERN Cn1nccc1-c1cc(=S)[nH]cn1 575450998 352212001 /nfs/dbraw/zinc/21/20/01/352212001.db2.gz JDTMPCZNPQUMQT-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN CC(=O)c1ccsc1NC=O 575450972 352212014 /nfs/dbraw/zinc/21/20/14/352212014.db2.gz QNUZNQJFRWDJLT-UHFFFAOYSA-N 0 0 169.205 1.519 10 0 ADAERN FC(F)[C@@H]1CCN(c2ncc[nH]2)C1 575451119 352212385 /nfs/dbraw/zinc/21/23/85/352212385.db2.gz JTNOGJXZADIQOD-ZCFIWIBFSA-N 0 0 187.193 1.501 10 0 ADAERN Cn1ncc(-c2ccco2)c1C=O 575451140 352212397 /nfs/dbraw/zinc/21/23/97/352212397.db2.gz QTJVCSCKIAUBHZ-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN FC(F)[C@H]1CCN(c2ncc[nH]2)C1 575451118 352212556 /nfs/dbraw/zinc/21/25/56/352212556.db2.gz JTNOGJXZADIQOD-LURJTMIESA-N 0 0 187.193 1.501 10 0 ADAERN Cc1nc(-c2ccco2)nc(=S)[nH]1 575451012 352212562 /nfs/dbraw/zinc/21/25/62/352212562.db2.gz VJUWEENUGWBQCF-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN CCc1nc(Cl)nc2n[nH]cc12 575451046 352212582 /nfs/dbraw/zinc/21/25/82/352212582.db2.gz YDCDEMQBBIMARR-UHFFFAOYSA-N 0 0 182.614 1.569 10 0 ADAERN Nc1ncc(-c2cnsc2)cc1F 575451252 352213375 /nfs/dbraw/zinc/21/33/75/352213375.db2.gz YVZMLMZIROHZKP-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN C[C@H]1COC[C@H]1Nc1cc(N)ns1 575451171 352213390 /nfs/dbraw/zinc/21/33/90/352213390.db2.gz FMKLSVWPHHBXCF-NTSWFWBYSA-N 0 0 199.279 1.172 10 0 ADAERN C[C@@H]1COC[C@@H]1Nc1cc(N)ns1 575451173 352213424 /nfs/dbraw/zinc/21/34/24/352213424.db2.gz FMKLSVWPHHBXCF-RITPCOANSA-N 0 0 199.279 1.172 10 0 ADAERN Cn1nccc1-c1ncc[nH]c1=S 575451246 352213512 /nfs/dbraw/zinc/21/35/12/352213512.db2.gz XIGVNSLHTMHJMN-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN C[C@@H]1COC[C@H]1Nc1cc(N)ns1 575451172 352213542 /nfs/dbraw/zinc/21/35/42/352213542.db2.gz FMKLSVWPHHBXCF-PHDIDXHHSA-N 0 0 199.279 1.172 10 0 ADAERN C[C@H]1COC[C@@H]1Nc1cc(N)ns1 575451174 352213544 /nfs/dbraw/zinc/21/35/44/352213544.db2.gz FMKLSVWPHHBXCF-WDSKDSINSA-N 0 0 199.279 1.172 10 0 ADAERN COc1ncc(Cl)c(F)n1 575451419 352213907 /nfs/dbraw/zinc/21/39/07/352213907.db2.gz KZZPGZMEEKYZOO-UHFFFAOYSA-N 0 0 162.551 1.278 10 0 ADAERN CC(=O)NC[C@H]1CCCSCC1 575451341 352213937 /nfs/dbraw/zinc/21/39/37/352213937.db2.gz FUTDCQSVYMYCAG-VIFPVBQESA-N 0 0 187.308 1.656 10 0 ADAERN Cc1c[nH]c(N2CC(C(F)F)C2)n1 575451412 352213950 /nfs/dbraw/zinc/21/39/50/352213950.db2.gz ITINUASFAHYNKA-UHFFFAOYSA-N 0 0 187.193 1.419 10 0 ADAERN Cc1ncsc1-c1ccc(=O)[nH]n1 575451425 352213963 /nfs/dbraw/zinc/21/39/63/352213963.db2.gz MZOHCCNWBAEETL-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CC(=O)NC[C@@H]1CCCSCC1 575451340 352214134 /nfs/dbraw/zinc/21/41/34/352214134.db2.gz FUTDCQSVYMYCAG-SECBINFHSA-N 0 0 187.308 1.656 10 0 ADAERN Cn1cncc1C(=O)[C@H]1CCCS1 575451423 352214149 /nfs/dbraw/zinc/21/41/49/352214149.db2.gz LMVDWWNZXWOXAZ-MRVPVSSYSA-N 0 0 196.275 1.498 10 0 ADAERN Oc1ccc(C[C@H]2CC[C@H]2O)cc1 575451379 352214178 /nfs/dbraw/zinc/21/41/78/352214178.db2.gz XFSHCLQUNOBQJQ-MWLCHTKSSA-N 0 0 178.231 1.706 10 0 ADAERN Oc1ccc(C[C@H]2CC[C@@H]2O)cc1 575451378 352214188 /nfs/dbraw/zinc/21/41/88/352214188.db2.gz XFSHCLQUNOBQJQ-KOLCDFICSA-N 0 0 178.231 1.706 10 0 ADAERN Cc1ncsc1[C@@H](N)c1ncc[nH]1 575451431 352214204 /nfs/dbraw/zinc/21/42/04/352214204.db2.gz VEBNWFFKYXXJOF-ZCFIWIBFSA-N 0 0 194.263 1.223 10 0 ADAERN Cc1ncsc1[C@H](N)c1ncc[nH]1 575451430 352214268 /nfs/dbraw/zinc/21/42/68/352214268.db2.gz VEBNWFFKYXXJOF-LURJTMIESA-N 0 0 194.263 1.223 10 0 ADAERN C=CS(=O)(=O)c1ccncc1F 575451364 352214272 /nfs/dbraw/zinc/21/42/72/352214272.db2.gz NQMBARCTMBBUII-UHFFFAOYSA-N 0 0 187.195 1.138 10 0 ADAERN Fc1ccc(OC(F)F)nn1 575451422 352214275 /nfs/dbraw/zinc/21/42/75/352214275.db2.gz LMTRVHKBWOWWQL-UHFFFAOYSA-N 0 0 164.086 1.217 10 0 ADAERN Oc1ccc(C[C@@H]2CC[C@@H]2O)cc1 575451380 352214276 /nfs/dbraw/zinc/21/42/76/352214276.db2.gz XFSHCLQUNOBQJQ-ONGXEEELSA-N 0 0 178.231 1.706 10 0 ADAERN Cn1cncc1C(=O)[C@@H]1CCCS1 575451424 352214282 /nfs/dbraw/zinc/21/42/82/352214282.db2.gz LMVDWWNZXWOXAZ-QMMMGPOBSA-N 0 0 196.275 1.498 10 0 ADAERN Oc1ccc(C[C@@H]2CC[C@H]2O)cc1 575451377 352214285 /nfs/dbraw/zinc/21/42/85/352214285.db2.gz XFSHCLQUNOBQJQ-GXSJLCMTSA-N 0 0 178.231 1.706 10 0 ADAERN FC(F)C1(n2cnnc2Cl)CC1 575451456 352214289 /nfs/dbraw/zinc/21/42/89/352214289.db2.gz BMKMJWZIQVNUSC-UHFFFAOYSA-N 0 0 193.584 1.686 10 0 ADAERN C/C=C/[C@H](N)c1ncc(C)cn1 575451486 352214592 /nfs/dbraw/zinc/21/45/92/352214592.db2.gz IJTUFSXGBDFKPQ-RTMURIBGSA-N 0 0 163.224 1.361 10 0 ADAERN Nc1nccnc1CC(F)(F)F 575451561 352214725 /nfs/dbraw/zinc/21/47/25/352214725.db2.gz UBNQXPQDKFSNIW-UHFFFAOYSA-N 0 0 177.129 1.164 10 0 ADAERN C/C=C/[C@@H](N)c1ncc(C)cn1 575451484 352214744 /nfs/dbraw/zinc/21/47/44/352214744.db2.gz IJTUFSXGBDFKPQ-MPJRPATESA-N 0 0 163.224 1.361 10 0 ADAERN CSc1nc(F)cc(Cl)n1 575451593 352214752 /nfs/dbraw/zinc/21/47/52/352214752.db2.gz RFDAPKDJJBGQIP-UHFFFAOYSA-N 0 0 178.619 1.991 10 0 ADAERN CC(F)(F)CN1CCCC(=O)C1 575451485 352214858 /nfs/dbraw/zinc/21/48/58/352214858.db2.gz FJAHFCWBZRJMPK-UHFFFAOYSA-N 0 0 177.194 1.307 10 0 ADAERN Cc1cc(-n2ccnc2)nc(F)n1 575451492 352214923 /nfs/dbraw/zinc/21/49/23/352214923.db2.gz JJJQZNVSCOAFOE-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN O=Cc1ccc(N2CC[C@H](F)C2)o1 575451678 352215307 /nfs/dbraw/zinc/21/53/07/352215307.db2.gz CONJFVUFLSVRIR-ZETCQYMHSA-N 0 0 183.182 1.640 10 0 ADAERN O[C@@H](C[C@H]1CO1)c1ccoc1 575451799 352215340 /nfs/dbraw/zinc/21/53/40/352215340.db2.gz HVEDERIMXNZKDU-YUMQZZPRSA-N 0 0 154.165 1.102 10 0 ADAERN O[C@@H](C[C@@H]1CO1)c1ccoc1 575451798 352215345 /nfs/dbraw/zinc/21/53/45/352215345.db2.gz HVEDERIMXNZKDU-SFYZADRCSA-N 0 0 154.165 1.102 10 0 ADAERN Cc1ncsc1-c1cnc[nH]c1=O 575451732 352215421 /nfs/dbraw/zinc/21/54/21/352215421.db2.gz MGUADKZKEMQIKZ-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN O[C@H](C[C@@H]1CO1)c1ccoc1 575451795 352215450 /nfs/dbraw/zinc/21/54/50/352215450.db2.gz HVEDERIMXNZKDU-HTQZYQBOSA-N 0 0 154.165 1.102 10 0 ADAERN CCSc1nc(F)ncc1N 575451668 352215533 /nfs/dbraw/zinc/21/55/33/352215533.db2.gz YKQYVZWWIFWAMK-UHFFFAOYSA-N 0 0 173.216 1.310 10 0 ADAERN O[C@H](C[C@H]1CO1)c1ccoc1 575451797 352215586 /nfs/dbraw/zinc/21/55/86/352215586.db2.gz HVEDERIMXNZKDU-JGVFFNPUSA-N 0 0 154.165 1.102 10 0 ADAERN Fc1nc(Cl)nc2n[nH]cc12 575451696 352215601 /nfs/dbraw/zinc/21/56/01/352215601.db2.gz JAHXRHYFTLCVAI-UHFFFAOYSA-N 0 0 172.550 1.145 10 0 ADAERN O=Cc1ccc(N2CC[C@@H](F)C2)o1 575451677 352215653 /nfs/dbraw/zinc/21/56/53/352215653.db2.gz CONJFVUFLSVRIR-SSDOTTSWSA-N 0 0 183.182 1.640 10 0 ADAERN N#CNc1cccc(Br)n1 575451704 352215657 /nfs/dbraw/zinc/21/56/57/352215657.db2.gz BAFQPEQBMCAHJY-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN Nc1cncc(N2CC=CCC2)c1 575451931 352215992 /nfs/dbraw/zinc/21/59/92/352215992.db2.gz GZWVAHDEAPSDSH-UHFFFAOYSA-N 0 0 175.235 1.430 10 0 ADAERN C[C@H]1C[C@H](c2nnc(C=O)s2)CO1 575451831 352216038 /nfs/dbraw/zinc/21/60/38/352216038.db2.gz YWKMGHHNJNTTQH-WDSKDSINSA-N 0 0 198.247 1.243 10 0 ADAERN Cn1cncc1-c1cccc(=O)[nH]1 575451904 352216056 /nfs/dbraw/zinc/21/60/56/352216056.db2.gz USIDUUDDJQBBFL-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Fc1cccnc1NCC1CSC1 575451907 352216064 /nfs/dbraw/zinc/21/60/64/352216064.db2.gz VDKJYDRSBKXJPV-UHFFFAOYSA-N 0 0 198.266 1.996 10 0 ADAERN C[C@@H]1C[C@@H](c2nnc(C=O)s2)CO1 575451829 352216104 /nfs/dbraw/zinc/21/61/04/352216104.db2.gz YWKMGHHNJNTTQH-PHDIDXHHSA-N 0 0 198.247 1.243 10 0 ADAERN N[C@@H](c1ccoc1)c1cccnn1 575451888 352216130 /nfs/dbraw/zinc/21/61/30/352216130.db2.gz SMVBNIQIKXYTDZ-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN O=Cc1nnc(-c2ccncc2)s1 575451923 352216223 /nfs/dbraw/zinc/21/62/23/352216223.db2.gz DCGZQOZEYXBNOH-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN NC1(c2sccc2Cl)COC1 575451908 352216257 /nfs/dbraw/zinc/21/62/57/352216257.db2.gz VQAWVSVBNOFHHC-UHFFFAOYSA-N 0 0 189.667 1.586 10 0 ADAERN C[C@H]1C[C@@H](c2nnc(C=O)s2)CO1 575451827 352216355 /nfs/dbraw/zinc/21/63/55/352216355.db2.gz YWKMGHHNJNTTQH-NTSWFWBYSA-N 0 0 198.247 1.243 10 0 ADAERN N[C@H](c1ccoc1)c1cccnn1 575451887 352216393 /nfs/dbraw/zinc/21/63/93/352216393.db2.gz SMVBNIQIKXYTDZ-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN C[C@@H]1C[C@H](c2nnc(C=O)s2)CO1 575451830 352216457 /nfs/dbraw/zinc/21/64/57/352216457.db2.gz YWKMGHHNJNTTQH-RITPCOANSA-N 0 0 198.247 1.243 10 0 ADAERN CCc1c(C)nc(N(C)C)nc1F 575452044 352216815 /nfs/dbraw/zinc/21/68/15/352216815.db2.gz ABQXICLAFVEKBH-UHFFFAOYSA-N 0 0 183.230 1.553 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2ccsc2)n1 575452127 352216896 /nfs/dbraw/zinc/21/68/96/352216896.db2.gz HHYHAOWYMMOLMQ-QMMMGPOBSA-N 0 0 194.259 1.861 10 0 ADAERN CSCCc1nccc(=O)[nH]1 575452196 352216898 /nfs/dbraw/zinc/21/68/98/352216898.db2.gz KEJRUDYKTHVSBD-UHFFFAOYSA-N 0 0 170.237 1.088 10 0 ADAERN c1cc(CNC2CSC2)ns1 575452145 352216932 /nfs/dbraw/zinc/21/69/32/352216932.db2.gz QFMKFQHARAOUSB-UHFFFAOYSA-N 0 0 186.305 1.348 10 0 ADAERN Cn1c(-c2cnco2)cnc1Cl 575452078 352216937 /nfs/dbraw/zinc/21/69/37/352216937.db2.gz JOEVZNOGXXJQDD-UHFFFAOYSA-N 0 0 183.598 1.729 10 0 ADAERN Cc1nc(C2=NC(=O)CS2)[nH]c1C 575452147 352216990 /nfs/dbraw/zinc/21/69/90/352216990.db2.gz QMPYVECGAIYHRG-UHFFFAOYSA-N 0 0 195.247 1.047 10 0 ADAERN O=c1cc(-c2cncs2)cn[nH]1 575451961 352217022 /nfs/dbraw/zinc/21/70/22/352217022.db2.gz WFRDTWLDHFLRBD-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN Cc1ccc(CCNC#N)o1 575452092 352217105 /nfs/dbraw/zinc/21/71/05/352217105.db2.gz DQAAIOXAOPEJPA-UHFFFAOYSA-N 0 0 150.181 1.201 10 0 ADAERN CCOCc1onc(C)c1N 575452228 352217138 /nfs/dbraw/zinc/21/71/38/352217138.db2.gz MQYYRLINPDCCJZ-UHFFFAOYSA-N 0 0 156.185 1.102 10 0 ADAERN Cc1c[nH]c([C@H](O)c2ccsc2)n1 575452126 352217198 /nfs/dbraw/zinc/21/71/98/352217198.db2.gz HHYHAOWYMMOLMQ-MRVPVSSYSA-N 0 0 194.259 1.861 10 0 ADAERN CSc1cc(N)nc2cc(C)nn12 575452264 352217738 /nfs/dbraw/zinc/21/77/38/352217738.db2.gz OVYTXMLPPQJPDV-UHFFFAOYSA-N 0 0 194.263 1.342 10 0 ADAERN O=C1CO[C@@H](c2cccnc2)C1 575452290 352217753 /nfs/dbraw/zinc/21/77/53/352217753.db2.gz SCJKPSRZGLZWNM-SECBINFHSA-N 0 0 163.176 1.112 10 0 ADAERN O=C1CCCN(C[C@H]2CC2(F)F)C1 575453071 352217780 /nfs/dbraw/zinc/21/77/80/352217780.db2.gz PTUPOHCKIXFSPG-SSDOTTSWSA-N 0 0 189.205 1.307 10 0 ADAERN Cc1nnc(C[C@H]2CCC(=O)C2)s1 575453026 352217859 /nfs/dbraw/zinc/21/78/59/352217859.db2.gz BMLGSUBSYSNVRI-ZETCQYMHSA-N 0 0 196.275 1.758 10 0 ADAERN FC(F)(F)c1c[nH]c(=S)o1 575453047 352217949 /nfs/dbraw/zinc/21/79/49/352217949.db2.gz NMQRGEQBOWWMHU-UHFFFAOYSA-N 0 0 169.127 1.982 10 0 ADAERN Cc1nnc(C[C@@H]2CCC(=O)C2)s1 575453023 352218038 /nfs/dbraw/zinc/21/80/38/352218038.db2.gz BMLGSUBSYSNVRI-SSDOTTSWSA-N 0 0 196.275 1.758 10 0 ADAERN Cc1c(F)ncnc1N1CCCC1 575453016 352218066 /nfs/dbraw/zinc/21/80/66/352218066.db2.gz GHOYNPNAMBQPIC-UHFFFAOYSA-N 0 0 181.214 1.524 10 0 ADAERN O=C1CO[C@H](c2cccnc2)C1 575452292 352218076 /nfs/dbraw/zinc/21/80/76/352218076.db2.gz SCJKPSRZGLZWNM-VIFPVBQESA-N 0 0 163.176 1.112 10 0 ADAERN CCCNc1ccnnc1C 575452357 352218118 /nfs/dbraw/zinc/21/81/18/352218118.db2.gz YLECAPMCKCASBP-UHFFFAOYSA-N 0 0 151.213 1.607 10 0 ADAERN Cc1nc(C2=NC(=O)CS2)[nH]c1C 575453021 352218236 /nfs/dbraw/zinc/21/82/36/352218236.db2.gz BIPTXXKFFMCBHC-UHFFFAOYSA-N 0 0 195.247 1.856 10 0 ADAERN Nc1[nH]c(=O)oc1CC(F)(F)F 575453232 352218503 /nfs/dbraw/zinc/21/85/03/352218503.db2.gz CWMXJRVGGMOHAI-UWTATZPHSA-N 0 0 182.101 1.024 10 0 ADAERN Cc1ncsc1-c1c(N)cnn1C 575453193 352218565 /nfs/dbraw/zinc/21/85/65/352218565.db2.gz GGGACFVANJGXLS-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Fc1ncnc2c1CSC2 575453087 352218662 /nfs/dbraw/zinc/21/86/62/352218662.db2.gz LYTOUGLUMRKFNO-UHFFFAOYSA-N 0 0 156.185 1.363 10 0 ADAERN Nc1[nH]c(=O)oc1CC(F)(F)F 575453224 352218807 /nfs/dbraw/zinc/21/88/07/352218807.db2.gz CWMXJRVGGMOHAI-REOHCLBHSA-N 0 0 182.101 1.024 10 0 ADAERN O=C1CCCN(C[C@@H]2CC2(F)F)C1 575453073 352218852 /nfs/dbraw/zinc/21/88/52/352218852.db2.gz PTUPOHCKIXFSPG-ZETCQYMHSA-N 0 0 189.205 1.307 10 0 ADAERN O=C(c1cnsc1)c1cccnn1 575453158 352218884 /nfs/dbraw/zinc/21/88/84/352218884.db2.gz PUCFRQDKYWVSGU-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN C[C@@]1(Cc2ccsc2)CNC(=[NH2+])O1 575453151 352218910 /nfs/dbraw/zinc/21/89/10/352218910.db2.gz FNYVTBKJEOHPFM-SECBINFHSA-N 0 0 196.275 1.604 10 0 ADAERN C[C@]1(Cc2ccsc2)CNC(=[NH2+])O1 575453154 352218935 /nfs/dbraw/zinc/21/89/35/352218935.db2.gz FNYVTBKJEOHPFM-VIFPVBQESA-N 0 0 196.275 1.604 10 0 ADAERN Cn1ccnc1-c1nccc(F)n1 575453385 352219302 /nfs/dbraw/zinc/21/93/02/352219302.db2.gz LTTJOKFWGUNKRA-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN C[C@@]1([C@H]2CCCCO2)CO1 575453393 352219309 /nfs/dbraw/zinc/21/93/09/352219309.db2.gz ZJXAXALWJJOBSY-SFYZADRCSA-N 0 0 142.198 1.344 10 0 ADAERN c1nscc1N[C@@H]1CCCOC1 575453281 352219327 /nfs/dbraw/zinc/21/93/27/352219327.db2.gz CEVFDBDQTWIMMH-SSDOTTSWSA-N 0 0 184.264 1.734 10 0 ADAERN c1nscc1N[C@H]1CCCOC1 575453286 352219334 /nfs/dbraw/zinc/21/93/34/352219334.db2.gz CEVFDBDQTWIMMH-ZETCQYMHSA-N 0 0 184.264 1.734 10 0 ADAERN C[C@]1([C@@H]2CCCCO2)CO1 575453391 352219352 /nfs/dbraw/zinc/21/93/52/352219352.db2.gz ZJXAXALWJJOBSY-JGVFFNPUSA-N 0 0 142.198 1.344 10 0 ADAERN C1CSCC[C@H](c2nn[nH]n2)C1 575453329 352219372 /nfs/dbraw/zinc/21/93/72/352219372.db2.gz BRXRHAUDFMVQKX-ZCFIWIBFSA-N 0 0 184.268 1.200 10 0 ADAERN O=c1cc2c(n[nH]1)CCC(F)(F)C2 575453299 352219384 /nfs/dbraw/zinc/21/93/84/352219384.db2.gz AXLADMHJCKBWKD-UHFFFAOYSA-N 0 0 186.161 1.306 10 0 ADAERN O=C1COC[C@@H]1c1ccsc1 575453273 352219422 /nfs/dbraw/zinc/21/94/22/352219422.db2.gz AYGSXVPJMJTCMI-SSDOTTSWSA-N 0 0 168.217 1.431 10 0 ADAERN O=C1COC[C@H]1c1ccsc1 575453290 352219429 /nfs/dbraw/zinc/21/94/29/352219429.db2.gz AYGSXVPJMJTCMI-ZETCQYMHSA-N 0 0 168.217 1.431 10 0 ADAERN NCc1snnc1C1(Cl)CC1 575453352 352219470 /nfs/dbraw/zinc/21/94/70/352219470.db2.gz GXQNKKINSRKHFG-UHFFFAOYSA-N 0 0 189.671 1.225 10 0 ADAERN C[C@@]1([C@@H]2CCCCO2)CO1 575453399 352219640 /nfs/dbraw/zinc/21/96/40/352219640.db2.gz ZJXAXALWJJOBSY-YUMQZZPRSA-N 0 0 142.198 1.344 10 0 ADAERN Nc1ncc(-c2ccns2)cc1F 575453245 352219750 /nfs/dbraw/zinc/21/97/50/352219750.db2.gz WGZXREONEAVCCK-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN C[C@]1([C@H]2CCCCO2)CO1 575453371 352219769 /nfs/dbraw/zinc/21/97/69/352219769.db2.gz ZJXAXALWJJOBSY-HTQZYQBOSA-N 0 0 142.198 1.344 10 0 ADAERN C1CSCC[C@@H](c2nn[nH]n2)C1 575453325 352219956 /nfs/dbraw/zinc/21/99/56/352219956.db2.gz BRXRHAUDFMVQKX-LURJTMIESA-N 0 0 184.268 1.200 10 0 ADAERN Cn1ncc(-c2cscn2)c1C=O 575453536 352220243 /nfs/dbraw/zinc/22/02/43/352220243.db2.gz ODBRLPAZJIMMOF-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN CC(F)(F)C(C)(C)CNC#N 575453460 352220297 /nfs/dbraw/zinc/22/02/97/352220297.db2.gz CUDJPNNGCIDOTR-UHFFFAOYSA-N 0 0 162.183 1.738 10 0 ADAERN Cn1nccc1-c1cnc[nH]c1=S 575453448 352220344 /nfs/dbraw/zinc/22/03/44/352220344.db2.gz CDXDWUBTMWFPFL-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN CN(C)C(C)(C)c1nccc(F)n1 575453436 352220422 /nfs/dbraw/zinc/22/04/22/352220422.db2.gz JOQLROSIRHWQDN-UHFFFAOYSA-N 0 0 183.230 1.412 10 0 ADAERN C[C@@H](CF)Nc1nccs1 575453540 352220430 /nfs/dbraw/zinc/22/04/30/352220430.db2.gz OSVJDRVCYAODGN-YFKPBYRVSA-N 0 0 160.217 1.913 10 0 ADAERN C[C@H](CF)Nc1nccs1 575453529 352220556 /nfs/dbraw/zinc/22/05/56/352220556.db2.gz OSVJDRVCYAODGN-RXMQYKEDSA-N 0 0 160.217 1.913 10 0 ADAERN S=c1[nH]ccc2nccnc12 575453618 352221065 /nfs/dbraw/zinc/22/10/65/352221065.db2.gz KLPJJIXIFHYRSR-UHFFFAOYSA-N 0 0 163.205 1.314 10 0 ADAERN O=C1COC2(CCC(F)(F)CC2)C1 575453619 352221099 /nfs/dbraw/zinc/22/10/99/352221099.db2.gz RMVZVCVKQWDBDU-UHFFFAOYSA-N 0 0 190.189 1.924 10 0 ADAERN COCc1cc(C=O)cs1 575453566 352221207 /nfs/dbraw/zinc/22/12/07/352221207.db2.gz GOUWJBFUESNPIN-UHFFFAOYSA-N 0 0 156.206 1.707 10 0 ADAERN C[C@@H](O)C(=O)CC1CC=CC1 575453699 352221351 /nfs/dbraw/zinc/22/13/51/352221351.db2.gz ALGUMXKRHMHCFA-SSDOTTSWSA-N 0 0 154.209 1.293 10 0 ADAERN Nc1nc(-c2ccc(Cl)cn2)c[nH]1 575453670 352221392 /nfs/dbraw/zinc/22/13/92/352221392.db2.gz AGIVHYGWVYWCQH-UHFFFAOYSA-N 0 0 194.625 1.538 10 0 ADAERN C/C(=C1\CC(=O)NC1=O)C1(Cl)CC1 575453778 352221927 /nfs/dbraw/zinc/22/19/27/352221927.db2.gz MUTSWHONWXRLKA-WAYWQWQTSA-N 0 0 199.637 1.121 10 0 ADAERN COC(=O)c1nc(C)c(C)c(F)n1 575453721 352221966 /nfs/dbraw/zinc/22/19/66/352221966.db2.gz HGSLUCXBZZCIOQ-UHFFFAOYSA-N 0 0 184.170 1.019 10 0 ADAERN O=C1COC[C@@H]1c1cccs1 575453790 352221972 /nfs/dbraw/zinc/22/19/72/352221972.db2.gz NTYVRQFYLLNDAK-LURJTMIESA-N 0 0 168.217 1.431 10 0 ADAERN C/C(=C1/CC(=O)NC1=O)C1(Cl)CC1 575453766 352221985 /nfs/dbraw/zinc/22/19/85/352221985.db2.gz MUTSWHONWXRLKA-AATRIKPKSA-N 0 0 199.637 1.121 10 0 ADAERN C[C@H](O)C(=O)CC1CC=CC1 575453741 352221995 /nfs/dbraw/zinc/22/19/95/352221995.db2.gz ALGUMXKRHMHCFA-ZETCQYMHSA-N 0 0 154.209 1.293 10 0 ADAERN O=C1COC[C@H]1c1cccs1 575453802 352222001 /nfs/dbraw/zinc/22/20/01/352222001.db2.gz NTYVRQFYLLNDAK-ZCFIWIBFSA-N 0 0 168.217 1.431 10 0 ADAERN Cc1c(Cl)nnc(N(C)N)c1C 575454049 352222423 /nfs/dbraw/zinc/22/24/23/352222423.db2.gz MNCUPHDXLMYHSF-UHFFFAOYSA-N 0 0 186.646 1.057 10 0 ADAERN Cc1ncc(-c2c[nH+]ccc2N)s1 575454015 352222453 /nfs/dbraw/zinc/22/24/53/352222453.db2.gz MVOXVWMIUIRQJF-UHFFFAOYSA-N 0 0 191.259 1.926 10 0 ADAERN Fc1nccc(N2C[C@H]3C[C@H]3C2)n1 575453900 352222484 /nfs/dbraw/zinc/22/24/84/352222484.db2.gz IJYOLEINFCPGEH-KNVOCYPGSA-N 0 0 179.198 1.072 10 0 ADAERN C[NH2+][C@H](C(F)F)[C@H]1C[C@H]1C 575453960 352222499 /nfs/dbraw/zinc/22/24/99/352222499.db2.gz HSKGNWBMJBZAQN-SRQIZXRXSA-N 0 0 149.184 1.496 10 0 ADAERN C1=CCC(C=C2C[NH2+]C2)C1 575453907 352222505 /nfs/dbraw/zinc/22/25/05/352222505.db2.gz OVXAVQQYZOYJIM-UHFFFAOYSA-N 0 0 135.210 1.482 10 0 ADAERN Cc1c[nH]c([C@H](O)c2ccco2)n1 575453909 352222537 /nfs/dbraw/zinc/22/25/37/352222537.db2.gz FVLIOQZEOSFDRX-MRVPVSSYSA-N 0 0 178.191 1.393 10 0 ADAERN COc1ccc2ncnc(F)c2c1 575453921 352222564 /nfs/dbraw/zinc/22/25/64/352222564.db2.gz LDDJVZUIZSCURU-UHFFFAOYSA-N 0 0 178.166 1.778 10 0 ADAERN C[NH2+][C@H](C(F)F)[C@@H]1C[C@@H]1C 575453914 352222572 /nfs/dbraw/zinc/22/25/72/352222572.db2.gz HSKGNWBMJBZAQN-JKUQZMGJSA-N 0 0 149.184 1.496 10 0 ADAERN C[NH2+][C@H](C(F)F)[C@H]1C[C@@H]1C 575453968 352222593 /nfs/dbraw/zinc/22/25/93/352222593.db2.gz HSKGNWBMJBZAQN-ZLUOBGJFSA-N 0 0 149.184 1.496 10 0 ADAERN Cn1nncc1NC1CC(F)(F)C1 575454013 352222616 /nfs/dbraw/zinc/22/26/16/352222616.db2.gz CXOISJXMKCHWIY-UHFFFAOYSA-N 0 0 188.181 1.025 10 0 ADAERN CSCCc1nc(Cl)n[nH]1 575453898 352222764 /nfs/dbraw/zinc/22/27/64/352222764.db2.gz LNVPALIHFHWTCT-UHFFFAOYSA-N 0 0 177.660 1.364 10 0 ADAERN C[NH2+][C@H](C(F)F)[C@@H]1C[C@H]1C 575453959 352222826 /nfs/dbraw/zinc/22/28/26/352222826.db2.gz HSKGNWBMJBZAQN-PBXRRBTRSA-N 0 0 149.184 1.496 10 0 ADAERN O=C(c1cccnn1)c1ccc[nH]1 575453918 352222883 /nfs/dbraw/zinc/22/28/83/352222883.db2.gz RCXCBOLERNEULD-UHFFFAOYSA-N 0 0 173.175 1.036 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2ccco2)n1 575453985 352222900 /nfs/dbraw/zinc/22/29/00/352222900.db2.gz FVLIOQZEOSFDRX-QMMMGPOBSA-N 0 0 178.191 1.393 10 0 ADAERN O=C1C[C@H](c2ccncc2Cl)N1 575454070 352223369 /nfs/dbraw/zinc/22/33/69/352223369.db2.gz KUFNSZBRJTVAON-SSDOTTSWSA-N 0 0 182.610 1.296 10 0 ADAERN O=C1CCCC[C@]1(O)c1ccsn1 575454147 352223374 /nfs/dbraw/zinc/22/33/74/352223374.db2.gz OFFDJSIWMWGNJU-VIFPVBQESA-N 0 0 197.259 1.474 10 0 ADAERN O=C1CCCC[C@@]1(O)c1ccsn1 575454131 352223502 /nfs/dbraw/zinc/22/35/02/352223502.db2.gz OFFDJSIWMWGNJU-SECBINFHSA-N 0 0 197.259 1.474 10 0 ADAERN O=C1C[C@@H](c2ccncc2Cl)N1 575454075 352223686 /nfs/dbraw/zinc/22/36/86/352223686.db2.gz KUFNSZBRJTVAON-ZETCQYMHSA-N 0 0 182.610 1.296 10 0 ADAERN Cc1ccc(NC#N)cc1O 575454139 352223704 /nfs/dbraw/zinc/22/37/04/352223704.db2.gz QDPKKFRGUPHENR-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN C[C@@H](CF)n1cncc1C=O 575454592 352225490 /nfs/dbraw/zinc/22/54/90/352225490.db2.gz QOADNBLXGHZMET-LURJTMIESA-N 0 0 156.160 1.226 10 0 ADAERN Nc1cncnc1N[C@H]1C=CCC1 575454315 352223998 /nfs/dbraw/zinc/22/39/98/352223998.db2.gz VZYZRCBAMCACJJ-ZETCQYMHSA-N 0 0 176.223 1.189 10 0 ADAERN Cn1cncc1C(=O)[C@H]1CCSC1 575454286 352224004 /nfs/dbraw/zinc/22/40/04/352224004.db2.gz VYFOHAXSAJFHFE-ZETCQYMHSA-N 0 0 196.275 1.356 10 0 ADAERN C=C(Cl)C(=O)NCC1CSC1 575454337 352224082 /nfs/dbraw/zinc/22/40/82/352224082.db2.gz QJSIEZFNGPUOFC-UHFFFAOYSA-N 0 0 191.683 1.218 10 0 ADAERN Nc1cnc(N[C@H]2C=CCC2)nc1 575454728 352225491 /nfs/dbraw/zinc/22/54/91/352225491.db2.gz ULKBEFAJMPJOPB-QMMMGPOBSA-N 0 0 176.223 1.189 10 0 ADAERN Cn1cncc1C(=O)[C@@H]1CCSC1 575454269 352224117 /nfs/dbraw/zinc/22/41/17/352224117.db2.gz VYFOHAXSAJFHFE-SSDOTTSWSA-N 0 0 196.275 1.356 10 0 ADAERN Cc1nc(Cl)ccc1NC#N 575454332 352224120 /nfs/dbraw/zinc/22/41/20/352224120.db2.gz XCMRMVWIEBGNSL-UHFFFAOYSA-N 0 0 167.599 1.936 10 0 ADAERN CNc1cc(OC)c(N)cc1Cl 575454284 352224156 /nfs/dbraw/zinc/22/41/56/352224156.db2.gz NYKMQHGPACBYKL-UHFFFAOYSA-N 0 0 186.642 1.973 10 0 ADAERN COC(=O)c1sc(F)nc1Cl 575454231 352224174 /nfs/dbraw/zinc/22/41/74/352224174.db2.gz GUKKXEIHXKKXKD-UHFFFAOYSA-N 0 0 195.602 1.722 10 0 ADAERN Cc1nc(-c2ccc[nH]2)nc(=S)[nH]1 575454275 352224218 /nfs/dbraw/zinc/22/42/18/352224218.db2.gz NPINRBQTHIGEHV-UHFFFAOYSA-N 0 0 192.247 1.464 10 0 ADAERN CN(C)c1nc(F)ncc1Cl 575454259 352224263 /nfs/dbraw/zinc/22/42/63/352224263.db2.gz UBDDFZZTRUSJNX-UHFFFAOYSA-N 0 0 175.594 1.335 10 0 ADAERN Nc1cncnc1N[C@@H]1C=CCC1 575454298 352224268 /nfs/dbraw/zinc/22/42/68/352224268.db2.gz VZYZRCBAMCACJJ-SSDOTTSWSA-N 0 0 176.223 1.189 10 0 ADAERN Cc1cn(C[C@@H]2CCCO2)c(=O)[nH]1 575454433 352224613 /nfs/dbraw/zinc/22/46/13/352224613.db2.gz ZBPXYUZZOARVGB-QMMMGPOBSA-N 0 0 182.223 1.076 10 0 ADAERN O=C1CCOC[C@H]1CC1CC=CC1 575454405 352224616 /nfs/dbraw/zinc/22/46/16/352224616.db2.gz RUYCBYBAJRTAOD-SNVBAGLBSA-N 0 0 180.247 1.948 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CCC[C@H](O)C1 575454424 352224630 /nfs/dbraw/zinc/22/46/30/352224630.db2.gz QCJQFSDDTHISOZ-SFYZADRCSA-N 0 0 182.223 1.065 10 0 ADAERN Fc1ccnc(C[C@@H]2CCCO2)n1 575454412 352224638 /nfs/dbraw/zinc/22/46/38/352224638.db2.gz VAEXNKBAQWJJEF-ZETCQYMHSA-N 0 0 182.198 1.337 10 0 ADAERN Clc1nnc(-c2cccnn2)o1 575454461 352224641 /nfs/dbraw/zinc/22/46/41/352224641.db2.gz VYNDMUXOWSYTCB-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CCC[C@@H](O)C1 575454417 352224648 /nfs/dbraw/zinc/22/46/48/352224648.db2.gz QCJQFSDDTHISOZ-HTQZYQBOSA-N 0 0 182.223 1.065 10 0 ADAERN Cc1cn(C[C@H]2CCCO2)c(=O)[nH]1 575454410 352224675 /nfs/dbraw/zinc/22/46/75/352224675.db2.gz ZBPXYUZZOARVGB-MRVPVSSYSA-N 0 0 182.223 1.076 10 0 ADAERN Nc1n[nH]c(-c2ccns2)c1F 575454507 352224755 /nfs/dbraw/zinc/22/47/55/352224755.db2.gz SVPUINNKGKJPRM-UHFFFAOYSA-N 0 0 184.199 1.255 10 0 ADAERN O=c1[nH]ccn1[C@H]1CCC[C@@H](O)C1 575454423 352224762 /nfs/dbraw/zinc/22/47/62/352224762.db2.gz QCJQFSDDTHISOZ-JGVFFNPUSA-N 0 0 182.223 1.065 10 0 ADAERN Fc1ccnc(-c2ccns2)n1 575454462 352224765 /nfs/dbraw/zinc/22/47/65/352224765.db2.gz VYRUKWKIEJTCQP-UHFFFAOYSA-N 0 0 181.195 1.739 10 0 ADAERN Cc1cc2c(F)nccn2n1 575454472 352224770 /nfs/dbraw/zinc/22/47/70/352224770.db2.gz YNXDJHNBYPITJS-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN N[C@H](c1cncs1)C(F)F 575454429 352224773 /nfs/dbraw/zinc/22/47/73/352224773.db2.gz OXEYNFZRVOOJBR-SCSAIBSYSA-N 0 0 164.180 1.408 10 0 ADAERN C1=C[C@H]2C[C@@H]1C[C@H]2Nc1cn[nH]c1 575454408 352224823 /nfs/dbraw/zinc/22/48/23/352224823.db2.gz JDWNOVMQFUMTBK-KHQFGBGNSA-N 0 0 175.235 1.786 10 0 ADAERN O=C(c1ccc[nH]1)c1ccns1 575454468 352224826 /nfs/dbraw/zinc/22/48/26/352224826.db2.gz XIIVOVISWXDUFQ-UHFFFAOYSA-N 0 0 178.216 1.702 10 0 ADAERN N[C@@H](c1cncs1)C(F)F 575454402 352224834 /nfs/dbraw/zinc/22/48/34/352224834.db2.gz OXEYNFZRVOOJBR-BYPYZUCNSA-N 0 0 164.180 1.408 10 0 ADAERN O=c1[nH]ccn1[C@H]1CCC[C@H](O)C1 575454442 352224838 /nfs/dbraw/zinc/22/48/38/352224838.db2.gz QCJQFSDDTHISOZ-YUMQZZPRSA-N 0 0 182.223 1.065 10 0 ADAERN Cn1nccc1-c1cnc(F)nc1 575454450 352224848 /nfs/dbraw/zinc/22/48/48/352224848.db2.gz XPUQBAPXQRTHAX-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN C1=C[C@H]2C[C@@H]1C[C@@H]2Nc1cn[nH]c1 575454449 352224858 /nfs/dbraw/zinc/22/48/58/352224858.db2.gz JDWNOVMQFUMTBK-WEDXCCLWSA-N 0 0 175.235 1.786 10 0 ADAERN Fc1ccnc(C[C@H]2CCCO2)n1 575454401 352224867 /nfs/dbraw/zinc/22/48/67/352224867.db2.gz VAEXNKBAQWJJEF-SSDOTTSWSA-N 0 0 182.198 1.337 10 0 ADAERN Nc1cnc(N[C@@H]2C=CCC2)nc1 575454727 352225476 /nfs/dbraw/zinc/22/54/76/352225476.db2.gz ULKBEFAJMPJOPB-MRVPVSSYSA-N 0 0 176.223 1.189 10 0 ADAERN Fc1ccc([C@@H]2NCCS2)nc1 575454761 352225484 /nfs/dbraw/zinc/22/54/84/352225484.db2.gz VTNBPCDDQJFPJB-MRVPVSSYSA-N 0 0 184.239 1.556 10 0 ADAERN Fc1ccc([C@H]2NCCS2)nc1 575454763 352225495 /nfs/dbraw/zinc/22/54/95/352225495.db2.gz VTNBPCDDQJFPJB-QMMMGPOBSA-N 0 0 184.239 1.556 10 0 ADAERN C[C@H](CF)n1cncc1C=O 575454626 352225556 /nfs/dbraw/zinc/22/55/56/352225556.db2.gz QOADNBLXGHZMET-ZCFIWIBFSA-N 0 0 156.160 1.226 10 0 ADAERN FC(F)(F)C[C@H]1NCCCS1 575454747 352225560 /nfs/dbraw/zinc/22/55/60/352225560.db2.gz XZUGPCXBLTWLQK-YFKPBYRVSA-N 0 0 185.214 1.991 10 0 ADAERN FC(F)(F)C[C@@H]1NCCCS1 575454743 352225576 /nfs/dbraw/zinc/22/55/76/352225576.db2.gz XZUGPCXBLTWLQK-RXMQYKEDSA-N 0 0 185.214 1.991 10 0 ADAERN N#CNc1cc(N)ccc1F 575455433 352226101 /nfs/dbraw/zinc/22/61/01/352226101.db2.gz CAFQMQICRKDEED-UHFFFAOYSA-N 0 0 151.144 1.301 10 0 ADAERN CN1CCC[C@H]1c1nc(Cl)n[nH]1 575455437 352226187 /nfs/dbraw/zinc/22/61/87/352226187.db2.gz CXYPKEFVRPNNJG-YFKPBYRVSA-N 0 0 186.646 1.225 10 0 ADAERN C[C@@H]1COC[C@@H]1Nc1cccnc1 575455420 352226278 /nfs/dbraw/zinc/22/62/78/352226278.db2.gz BUMAWMBZOWJPOY-SCZZXKLOSA-N 0 0 178.235 1.528 10 0 ADAERN CN1CCC[C@@H]1c1nc(Cl)n[nH]1 575455434 352226369 /nfs/dbraw/zinc/22/63/69/352226369.db2.gz CXYPKEFVRPNNJG-RXMQYKEDSA-N 0 0 186.646 1.225 10 0 ADAERN C[C@H]1COC[C@H]1Nc1cccnc1 575455421 352226385 /nfs/dbraw/zinc/22/63/85/352226385.db2.gz BUMAWMBZOWJPOY-WCBMZHEXSA-N 0 0 178.235 1.528 10 0 ADAERN Oc1c[nH]c([C@H]2CCCCO2)n1 575455443 352226395 /nfs/dbraw/zinc/22/63/95/352226395.db2.gz DVTICZBCNCLHHR-ZCFIWIBFSA-N 0 0 168.196 1.357 10 0 ADAERN C[C@H]1COC[C@@H]1Nc1cccnc1 575455423 352226417 /nfs/dbraw/zinc/22/64/17/352226417.db2.gz BUMAWMBZOWJPOY-WPRPVWTQSA-N 0 0 178.235 1.528 10 0 ADAERN C[C@@H]1COC[C@H]1Nc1cccnc1 575455418 352226418 /nfs/dbraw/zinc/22/64/18/352226418.db2.gz BUMAWMBZOWJPOY-PSASIEDQSA-N 0 0 178.235 1.528 10 0 ADAERN Oc1c[nH]c([C@@H]2CCCCO2)n1 575455439 352226436 /nfs/dbraw/zinc/22/64/36/352226436.db2.gz DVTICZBCNCLHHR-LURJTMIESA-N 0 0 168.196 1.357 10 0 ADAERN Cc1cc(N)ccc1NC#N 575455552 352226843 /nfs/dbraw/zinc/22/68/43/352226843.db2.gz QJTGYALVODAVMW-UHFFFAOYSA-N 0 0 147.181 1.470 10 0 ADAERN CSCc1nc(C)c(F)c(F)n1 575455693 352226948 /nfs/dbraw/zinc/22/69/48/352226948.db2.gz XVLDQIDXOVOBPA-UHFFFAOYSA-N 0 0 190.218 1.926 10 0 ADAERN Clc1cc(N[C@@H]2CNOC2)ccn1 575455880 352227485 /nfs/dbraw/zinc/22/74/85/352227485.db2.gz BUDWHFHGLKFUAR-SSDOTTSWSA-N 0 0 199.641 1.050 10 0 ADAERN CNc1ccc(N)c(N)c1F 575455833 352227403 /nfs/dbraw/zinc/22/74/03/352227403.db2.gz JQTDQRYFBWQZEU-UHFFFAOYSA-N 0 0 155.176 1.032 10 0 ADAERN CN(C)Nc1nc(F)ncc1Cl 575455742 352227451 /nfs/dbraw/zinc/22/74/51/352227451.db2.gz UZNMPIYFALPDOU-UHFFFAOYSA-N 0 0 190.609 1.158 10 0 ADAERN Cc1nnc(CC[C@@H]2CO2)s1 575455813 352227502 /nfs/dbraw/zinc/22/75/02/352227502.db2.gz BNVOKLFPEIQZFR-ZCFIWIBFSA-N 0 0 170.237 1.178 10 0 ADAERN Clc1cc(N[C@H]2CNOC2)ccn1 575455881 352227517 /nfs/dbraw/zinc/22/75/17/352227517.db2.gz BUDWHFHGLKFUAR-ZETCQYMHSA-N 0 0 199.641 1.050 10 0 ADAERN O=C1CCN(C2CC(F)(F)C2)C1 575455854 352227607 /nfs/dbraw/zinc/22/76/07/352227607.db2.gz OBCRXEDMPWKDHK-UHFFFAOYSA-N 0 0 175.178 1.059 10 0 ADAERN Cn1cc(CNc2cnsc2)cn1 575455869 352227621 /nfs/dbraw/zinc/22/76/21/352227621.db2.gz SUUJGHHCEKFGCY-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Cc1nnc(CC[C@H]2CO2)s1 575455812 352227641 /nfs/dbraw/zinc/22/76/41/352227641.db2.gz BNVOKLFPEIQZFR-LURJTMIESA-N 0 0 170.237 1.178 10 0 ADAERN Cc1ncc(-c2cnc[nH]c2=O)s1 575455896 352227694 /nfs/dbraw/zinc/22/76/94/352227694.db2.gz FKDGBKZXMLRPGU-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN Cc1ncc(-c2noc(Cl)n2)n1C 575455977 352228479 /nfs/dbraw/zinc/22/84/79/352228479.db2.gz AFTKSYOCNXWYBL-UHFFFAOYSA-N 0 0 198.613 1.432 10 0 ADAERN FC(F)C1CN(c2ncc[nH]2)C1 575455764 352227733 /nfs/dbraw/zinc/22/77/33/352227733.db2.gz XZWYLMJQDAKWNX-UHFFFAOYSA-N 0 0 173.166 1.111 10 0 ADAERN Cn1cncc1-c1cc(=S)[nH]cn1 575455773 352227755 /nfs/dbraw/zinc/22/77/55/352227755.db2.gz YYIOIRDNBPMOBM-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Clc1cnc(N2CC=CCC2)cn1 575455844 352227807 /nfs/dbraw/zinc/22/78/07/352227807.db2.gz NITWMMOYTIKAKZ-UHFFFAOYSA-N 0 0 195.653 1.896 10 0 ADAERN C[C@H]1COC[C@@H]1n1cnnc1Cl 575456017 352228247 /nfs/dbraw/zinc/22/82/47/352228247.db2.gz QIWQWXDOWIEURB-WDSKDSINSA-N 0 0 187.630 1.139 10 0 ADAERN [NH3+]C1(c2nc(C3(Cl)CC3)c[nH]2)CC1 575456006 352228307 /nfs/dbraw/zinc/22/83/07/352228307.db2.gz NXUCIURYQJZKIY-UHFFFAOYSA-N 0 0 197.669 1.585 10 0 ADAERN C[C@H]1COC[C@H]1n1cnnc1Cl 575456014 352228313 /nfs/dbraw/zinc/22/83/13/352228313.db2.gz QIWQWXDOWIEURB-NTSWFWBYSA-N 0 0 187.630 1.139 10 0 ADAERN C[C@@H]1COC[C@H]1n1cnnc1Cl 575456015 352228315 /nfs/dbraw/zinc/22/83/15/352228315.db2.gz QIWQWXDOWIEURB-PHDIDXHHSA-N 0 0 187.630 1.139 10 0 ADAERN c1nc(CNc2cnsc2)co1 575455975 352228421 /nfs/dbraw/zinc/22/84/21/352228421.db2.gz ZHCDDKRHYBNHGR-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN C[C@@H]1COC[C@@H]1n1cnnc1Cl 575456016 352228470 /nfs/dbraw/zinc/22/84/70/352228470.db2.gz QIWQWXDOWIEURB-RITPCOANSA-N 0 0 187.630 1.139 10 0 ADAERN c1cc2c(c3c1CCN3)OCCC2 575456171 352228811 /nfs/dbraw/zinc/22/88/11/352228811.db2.gz JJUUXIULQFQNQD-UHFFFAOYSA-N 0 0 175.231 1.980 10 0 ADAERN Cc1cc(O)cc(N[S@@](C)=O)c1 575456159 352228823 /nfs/dbraw/zinc/22/88/23/352228823.db2.gz IRKOMGOODRWNIK-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN O=c1[nH]ccn1-c1cncc(Cl)c1 575456117 352228847 /nfs/dbraw/zinc/22/88/47/352228847.db2.gz FZZRZUJQGMKYRH-UHFFFAOYSA-N 0 0 195.609 1.626 10 0 ADAERN C[C@@H](N[C@H]1C=CCC1)C(F)F 575456168 352228897 /nfs/dbraw/zinc/22/88/97/352228897.db2.gz HONKTEDLFGDDQJ-RQJHMYQMSA-N 0 0 161.195 1.948 10 0 ADAERN Fc1ccnc(-c2cnccn2)n1 575456146 352228957 /nfs/dbraw/zinc/22/89/57/352228957.db2.gz DVDAIONABNBQOG-UHFFFAOYSA-N 0 0 176.154 1.073 10 0 ADAERN Cn1ccc(Cc2nnc(Cl)o2)n1 575456111 352228989 /nfs/dbraw/zinc/22/89/89/352228989.db2.gz FHPMNDPIHKRBJO-UHFFFAOYSA-N 0 0 198.613 1.047 10 0 ADAERN C[C@@H](N[C@@H]1C=CCC1)C(F)F 575456167 352228995 /nfs/dbraw/zinc/22/89/95/352228995.db2.gz HONKTEDLFGDDQJ-RNFRBKRXSA-N 0 0 161.195 1.948 10 0 ADAERN C[C@H](N[C@@H]1C=CCC1)C(F)F 575456166 352229002 /nfs/dbraw/zinc/22/90/02/352229002.db2.gz HONKTEDLFGDDQJ-NKWVEPMBSA-N 0 0 161.195 1.948 10 0 ADAERN c1coc(-c2cnn3c2NCC3)c1 575456178 352229032 /nfs/dbraw/zinc/22/90/32/352229032.db2.gz HSQVMYXPBZYIQL-UHFFFAOYSA-N 0 0 175.191 1.569 10 0 ADAERN C[C@H](N[C@H]1C=CCC1)C(F)F 575456152 352229044 /nfs/dbraw/zinc/22/90/44/352229044.db2.gz HONKTEDLFGDDQJ-BQBZGAKWSA-N 0 0 161.195 1.948 10 0 ADAERN CN1C(=S)N=NC1c1ccsn1 575456083 352229069 /nfs/dbraw/zinc/22/90/69/352229069.db2.gz DSIQQQZHKZCUEI-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN Cc1cc(O)cc(N[S@](C)=O)c1 575456160 352229160 /nfs/dbraw/zinc/22/91/60/352229160.db2.gz IRKOMGOODRWNIK-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN Cn1cnnc1-c1cc(Cl)ccn1 575456205 352229176 /nfs/dbraw/zinc/22/91/76/352229176.db2.gz IRALYRNNFQPMRV-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN C[C@H](CF)N1CN=NC1=S 575456322 352229555 /nfs/dbraw/zinc/22/95/55/352229555.db2.gz JBOVWHMSXBUSPS-SCSAIBSYSA-N 0 0 161.205 1.097 10 0 ADAERN Cc1c(F)ncnc1-n1ccnc1 575456373 352229636 /nfs/dbraw/zinc/22/96/36/352229636.db2.gz TZLUQOZMXDHODJ-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN COCc1ccc(C)nc1N 575456362 352229644 /nfs/dbraw/zinc/22/96/44/352229644.db2.gz TXEGZSWEZMQMNC-UHFFFAOYSA-N 0 0 152.197 1.119 10 0 ADAERN O=C1CC(C2(Cl)CC2)C1 575456348 352229658 /nfs/dbraw/zinc/22/96/58/352229658.db2.gz RJWCDIXZMPWPIO-UHFFFAOYSA-N 0 0 144.601 1.737 10 0 ADAERN NCc1nnc(-c2ccsn2)s1 575456239 352229833 /nfs/dbraw/zinc/22/98/33/352229833.db2.gz LEQWFLCVETWEJK-UHFFFAOYSA-N 0 0 198.276 1.120 10 0 ADAERN C[C@@H](CF)N1CN=NC1=S 575456313 352229881 /nfs/dbraw/zinc/22/98/81/352229881.db2.gz JBOVWHMSXBUSPS-BYPYZUCNSA-N 0 0 161.205 1.097 10 0 ADAERN CC(=O)c1cncc2ncn(C)c12 575456290 352229969 /nfs/dbraw/zinc/22/99/69/352229969.db2.gz PIQYAVLLJIKQQQ-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN C/C=C/[C@@H](O)c1cn[nH]c1 575456511 352230175 /nfs/dbraw/zinc/23/01/75/352230175.db2.gz XUTWTXWOEKTGEG-TYWZFMJISA-N 0 0 138.170 1.019 10 0 ADAERN C/C=C/[C@H](O)c1cn[nH]c1 575456510 352230179 /nfs/dbraw/zinc/23/01/79/352230179.db2.gz XUTWTXWOEKTGEG-AIYRYJHASA-N 0 0 138.170 1.019 10 0 ADAERN c1n[nH]cc1[C@H]1NCCCS1 575456462 352230247 /nfs/dbraw/zinc/23/02/47/352230247.db2.gz OKMAEDOLOUBTGZ-ZETCQYMHSA-N 0 0 169.253 1.135 10 0 ADAERN Cn1cc(Cc2nnc(Cl)o2)cn1 575456499 352230363 /nfs/dbraw/zinc/23/03/63/352230363.db2.gz ZWLKYHSTPXVKFD-UHFFFAOYSA-N 0 0 198.613 1.047 10 0 ADAERN O=c1ccnc([C@@H]2CCCCO2)[nH]1 575456524 352230435 /nfs/dbraw/zinc/23/04/35/352230435.db2.gz YZMYKPRQHSGUCZ-ZETCQYMHSA-N 0 0 180.207 1.424 10 0 ADAERN COc1ccc(NC#N)cc1N 575456571 352230500 /nfs/dbraw/zinc/23/05/00/352230500.db2.gz FAWHDHQPOABJEI-UHFFFAOYSA-N 0 0 163.180 1.170 10 0 ADAERN Nc1nccnc1[C@H]1CCCCO1 575456506 352230530 /nfs/dbraw/zinc/23/05/30/352230530.db2.gz WEOROAUHHALTOY-SSDOTTSWSA-N 0 0 179.223 1.300 10 0 ADAERN c1n[nH]cc1[C@@H]1NCCCS1 575456459 352230559 /nfs/dbraw/zinc/23/05/59/352230559.db2.gz OKMAEDOLOUBTGZ-SSDOTTSWSA-N 0 0 169.253 1.135 10 0 ADAERN O=c1ccnc([C@H]2CCCCO2)[nH]1 575456522 352230567 /nfs/dbraw/zinc/23/05/67/352230567.db2.gz YZMYKPRQHSGUCZ-SSDOTTSWSA-N 0 0 180.207 1.424 10 0 ADAERN Nc1nccnc1[C@@H]1CCCCO1 575456507 352230585 /nfs/dbraw/zinc/23/05/85/352230585.db2.gz WEOROAUHHALTOY-ZETCQYMHSA-N 0 0 179.223 1.300 10 0 ADAERN Cn1c(C2(O)CCC2)cnc1Cl 575456468 352230588 /nfs/dbraw/zinc/23/05/88/352230588.db2.gz PEOQAIURGMZBLD-UHFFFAOYSA-N 0 0 186.642 1.445 10 0 ADAERN Cc1c[nH]c(=S)n1[C@@H]1COC[C@H]1C 575456730 352230959 /nfs/dbraw/zinc/23/09/59/352230959.db2.gz LBLIHPUMFYVTFE-HTRCEHHLSA-N 0 0 198.291 1.688 10 0 ADAERN Cc1sccc1[C@@H]1NC(=O)CC1=O 575456591 352230969 /nfs/dbraw/zinc/23/09/69/352230969.db2.gz YXTAFLRVANTWCL-VIFPVBQESA-N 0 0 195.243 1.187 10 0 ADAERN Cc1sccc1[C@H]1NC(=O)CC1=O 575456588 352231027 /nfs/dbraw/zinc/23/10/27/352231027.db2.gz YXTAFLRVANTWCL-SECBINFHSA-N 0 0 195.243 1.187 10 0 ADAERN Cc1c(Cl)cncc1NC1COC1 575456646 352231031 /nfs/dbraw/zinc/23/10/31/352231031.db2.gz SUUQSGNOQCFFTA-UHFFFAOYSA-N 0 0 198.653 1.854 10 0 ADAERN Cc1cnc(-c2nc(Cl)n[nH]2)cn1 575456621 352231034 /nfs/dbraw/zinc/23/10/34/352231034.db2.gz NEGBANIDFOWTFK-UHFFFAOYSA-N 0 0 195.613 1.224 10 0 ADAERN Cc1c[nH]c(=S)n1[C@H]1COC[C@@H]1C 575456735 352231080 /nfs/dbraw/zinc/23/10/80/352231080.db2.gz LBLIHPUMFYVTFE-XPUUQOCRSA-N 0 0 198.291 1.688 10 0 ADAERN Cc1c[nH]c(=S)n1[C@H]1COC[C@H]1C 575456734 352231314 /nfs/dbraw/zinc/23/13/14/352231314.db2.gz LBLIHPUMFYVTFE-SVRRBLITSA-N 0 0 198.291 1.688 10 0 ADAERN CC(C)(C)c1ccnc(F)n1 575456766 352231875 /nfs/dbraw/zinc/23/18/75/352231875.db2.gz PALAQLWWURFQSX-UHFFFAOYSA-N 0 0 154.188 1.913 10 0 ADAERN FC1(F)CC(Nc2ccncn2)C1 575456789 352231886 /nfs/dbraw/zinc/23/18/86/352231886.db2.gz QTUCRTBYQLLSFP-UHFFFAOYSA-N 0 0 185.177 1.686 10 0 ADAERN Fc1cc(NC2CSC2)ccn1 575456756 352231895 /nfs/dbraw/zinc/23/18/95/352231895.db2.gz OCHOISWFQNNVAA-UHFFFAOYSA-N 0 0 184.239 1.748 10 0 ADAERN NC(=S)C[C@H]1CC1(F)F 575456751 352232032 /nfs/dbraw/zinc/23/20/32/352232032.db2.gz LTHUFUWGYCSNOC-VKHMYHEASA-N 0 0 151.181 1.318 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1cccc(F)c1 575456799 352232037 /nfs/dbraw/zinc/23/20/37/352232037.db2.gz NKOIJWBWXNUOTC-NXEZZACHSA-N 0 0 181.210 1.761 10 0 ADAERN Cn1cc(-c2cnc(F)nc2)cn1 575456933 352232376 /nfs/dbraw/zinc/23/23/76/352232376.db2.gz IMIWIIUCCDOVBV-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN Cc1nn(CC(C)(F)F)c(C)c1N 575456934 352232380 /nfs/dbraw/zinc/23/23/80/352232380.db2.gz IRUKHFHEZHQGTA-UHFFFAOYSA-N 0 0 189.209 1.737 10 0 ADAERN Nc1c[nH]nc1-c1ccc(Cl)cn1 575456922 352232559 /nfs/dbraw/zinc/23/25/59/352232559.db2.gz CQDARLJQKFMCET-UHFFFAOYSA-N 0 0 194.625 1.707 10 0 ADAERN Cn1nc(-c2ccsn2)cc1C[NH3+] 575457552 352232763 /nfs/dbraw/zinc/23/27/63/352232763.db2.gz GBCYSFMNRGVXNS-UHFFFAOYSA-N 0 0 194.263 1.002 10 0 ADAERN Cn1cnnc1-c1cccc(F)n1 575456909 352232857 /nfs/dbraw/zinc/23/28/57/352232857.db2.gz YVWVFQHBOOEYSN-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN S=c1[nH]cc(C2(Cl)CC2)[nH]1 575456915 352232910 /nfs/dbraw/zinc/23/29/10/352232910.db2.gz BEXSKZJTMYRWCL-UHFFFAOYSA-N 0 0 174.656 1.926 10 0 ADAERN Cn1nccc1-c1cccc(=O)[nH]1 575457663 352233211 /nfs/dbraw/zinc/23/32/11/352233211.db2.gz GXIHQESQRVSHRG-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1cncc1-c1ccc(N)cn1 575457618 352233247 /nfs/dbraw/zinc/23/32/47/352233247.db2.gz UHCLJGYYBQVBBZ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Fc1cncc(SC2COC2)n1 575457601 352233392 /nfs/dbraw/zinc/23/33/92/352233392.db2.gz QVHBJWWNNMSJEH-UHFFFAOYSA-N 0 0 186.211 1.107 10 0 ADAERN Nc1n[nH]c(-c2ccsn2)c1F 575457676 352233464 /nfs/dbraw/zinc/23/34/64/352233464.db2.gz JAUSDEVCRYQRLQ-UHFFFAOYSA-N 0 0 184.199 1.255 10 0 ADAERN Fc1cc(C(F)(F)F)cnn1 575457743 352233569 /nfs/dbraw/zinc/23/35/69/352233569.db2.gz VLBHIEGKKGAUQL-UHFFFAOYSA-N 0 0 166.077 1.635 10 0 ADAERN c1c[nH]c(-c2cnn3c2NCC3)c1 575457765 352233868 /nfs/dbraw/zinc/23/38/68/352233868.db2.gz YMDUSVKOVQCGSX-UHFFFAOYSA-N 0 0 174.207 1.304 10 0 ADAERN COc1c(F)ncnc1Cl 575457752 352233911 /nfs/dbraw/zinc/23/39/11/352233911.db2.gz XBIFQBWTCMHYQA-UHFFFAOYSA-N 0 0 162.551 1.278 10 0 ADAERN COc1ccc2c(F)ncnc2c1 575457795 352233960 /nfs/dbraw/zinc/23/39/60/352233960.db2.gz CKTBLIARVIUBNV-UHFFFAOYSA-N 0 0 178.166 1.778 10 0 ADAERN Nc1nc2ccccc2nc1F 575457771 352234056 /nfs/dbraw/zinc/23/40/56/352234056.db2.gz ZFCTUBQQBDJJMY-UHFFFAOYSA-N 0 0 163.155 1.351 10 0 ADAERN Nc1cc(F)cnc1NC1CSC1 575457876 352234088 /nfs/dbraw/zinc/23/40/88/352234088.db2.gz JWGFZHDUXSZURR-UHFFFAOYSA-N 0 0 199.254 1.330 10 0 ADAERN Fc1cc(N2CC=CCC2)ccn1 575457788 352234195 /nfs/dbraw/zinc/23/41/95/352234195.db2.gz BMKWCLUJNHHJDU-UHFFFAOYSA-N 0 0 178.210 1.987 10 0 ADAERN O=Cc1ccncc1-n1cccn1 575457847 352234255 /nfs/dbraw/zinc/23/42/55/352234255.db2.gz DSMQXJXDCFBFQX-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN O=c1[nH]ccn1Cc1ccsn1 575457764 352234264 /nfs/dbraw/zinc/23/42/64/352234264.db2.gz YJCYLGZAGJXOQG-UHFFFAOYSA-N 0 0 181.220 1.094 10 0 ADAERN C[C@H]1COC[C@@H]1Nc1cnsc1 575458040 352234597 /nfs/dbraw/zinc/23/45/97/352234597.db2.gz VCTKYHUKJCPFSN-XPUUQOCRSA-N 0 0 184.264 1.590 10 0 ADAERN CCc1c(Cl)ncnc1N(C)N 575457921 352234646 /nfs/dbraw/zinc/23/46/46/352234646.db2.gz LPUHOKGKXQBCJX-UHFFFAOYSA-N 0 0 186.646 1.002 10 0 ADAERN C[C@H](O)[C@H](C)c1cnc(Cl)n1C 575458071 352234654 /nfs/dbraw/zinc/23/46/54/352234654.db2.gz ABHBGDNNEWKEHD-WDSKDSINSA-N 0 0 188.658 1.558 10 0 ADAERN C[C@H](O)[C@@H](C)c1cnc(Cl)n1C 575458070 352234676 /nfs/dbraw/zinc/23/46/76/352234676.db2.gz ABHBGDNNEWKEHD-RITPCOANSA-N 0 0 188.658 1.558 10 0 ADAERN NNc1c(F)ccc(F)c1Cl 575457957 352234856 /nfs/dbraw/zinc/23/48/56/352234856.db2.gz QPDNQZARMBEMSS-UHFFFAOYSA-N 0 0 178.569 1.904 10 0 ADAERN C[C@@H](O)[C@H](C)c1cnc(Cl)n1C 575458068 352234742 /nfs/dbraw/zinc/23/47/42/352234742.db2.gz ABHBGDNNEWKEHD-NTSWFWBYSA-N 0 0 188.658 1.558 10 0 ADAERN C[C@@H]1COC[C@H]1Nc1cnsc1 575458032 352234772 /nfs/dbraw/zinc/23/47/72/352234772.db2.gz VCTKYHUKJCPFSN-HTRCEHHLSA-N 0 0 184.264 1.590 10 0 ADAERN Cc1nc(CNc2cnsc2)c[nH]1 575457931 352234781 /nfs/dbraw/zinc/23/47/81/352234781.db2.gz OAVWCLHSTJUBOI-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN Cc1cc(O)cc(NC#N)c1 575457967 352234816 /nfs/dbraw/zinc/23/48/16/352234816.db2.gz PBKRNQOAQCNAQA-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN C[C@@H]1COC[C@@H]1Nc1cnsc1 575458039 352234881 /nfs/dbraw/zinc/23/48/81/352234881.db2.gz VCTKYHUKJCPFSN-SVRRBLITSA-N 0 0 184.264 1.590 10 0 ADAERN C[C@@H](c1cnc(Cl)n1C)[C@@H](C)O 575458069 352235000 /nfs/dbraw/zinc/23/50/00/352235000.db2.gz ABHBGDNNEWKEHD-PHDIDXHHSA-N 0 0 188.658 1.558 10 0 ADAERN C[C@H]1COC[C@H]1Nc1cnsc1 575458038 352235028 /nfs/dbraw/zinc/23/50/28/352235028.db2.gz VCTKYHUKJCPFSN-POYBYMJQSA-N 0 0 184.264 1.590 10 0 ADAERN O=C1CCOC[C@@H]1C[C@@H]1CC1(F)F 575458247 352235329 /nfs/dbraw/zinc/23/53/29/352235329.db2.gz LFFABYOFMRDRTL-NKWVEPMBSA-N 0 0 190.189 1.637 10 0 ADAERN Cc1cn(C[C@@H]2CC2(F)F)c(=O)[nH]1 575458123 352235372 /nfs/dbraw/zinc/23/53/72/352235372.db2.gz LLJFWEOFLNIOCK-LURJTMIESA-N 0 0 188.177 1.552 10 0 ADAERN O=C1CCOC[C@@H]1C[C@H]1CC1(F)F 575458246 352235396 /nfs/dbraw/zinc/23/53/96/352235396.db2.gz LFFABYOFMRDRTL-BQBZGAKWSA-N 0 0 190.189 1.637 10 0 ADAERN N#CNc1c(Cl)ncnc1Cl 575458207 352235409 /nfs/dbraw/zinc/23/54/09/352235409.db2.gz FRVHWPLLKPUJNP-UHFFFAOYSA-N 0 0 189.005 1.676 10 0 ADAERN Nc1ncc(-c2ccc[nH]2)cc1F 575458129 352235427 /nfs/dbraw/zinc/23/54/27/352235427.db2.gz MJJAALDAEXYYSU-UHFFFAOYSA-N 0 0 177.182 1.798 10 0 ADAERN Clc1nnc(-c2cnccn2)s1 575458079 352235470 /nfs/dbraw/zinc/23/54/70/352235470.db2.gz CTXVJBGCAGQRMX-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN Nc1c(OC2CCC2)cc[nH]c1=O 575458191 352235494 /nfs/dbraw/zinc/23/54/94/352235494.db2.gz CUZJNPOCIXWAFF-UHFFFAOYSA-N 0 0 180.207 1.301 10 0 ADAERN Cc1ncc(C(=O)[C@H]2CCCO2)s1 575458237 352235525 /nfs/dbraw/zinc/23/55/25/352235525.db2.gz JRGGPEOECWZANS-SSDOTTSWSA-N 0 0 197.259 1.813 10 0 ADAERN Nc1cnc(N[C@H]2C=CCC2)s1 575458103 352235527 /nfs/dbraw/zinc/23/55/27/352235527.db2.gz IHYUMGJKGKANTM-LURJTMIESA-N 0 0 181.264 1.856 10 0 ADAERN O=C1CCOC[C@H]1C[C@H]1CC1(F)F 575458249 352235582 /nfs/dbraw/zinc/23/55/82/352235582.db2.gz LFFABYOFMRDRTL-RQJHMYQMSA-N 0 0 190.189 1.637 10 0 ADAERN Cc1cn(C[C@H]2CC2(F)F)c(=O)[nH]1 575458124 352235593 /nfs/dbraw/zinc/23/55/93/352235593.db2.gz LLJFWEOFLNIOCK-ZCFIWIBFSA-N 0 0 188.177 1.552 10 0 ADAERN Cc1cnc(F)nc1-n1ccnc1 575458109 352235616 /nfs/dbraw/zinc/23/56/16/352235616.db2.gz JKEHCZZIIJVDNO-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN O=C1CCOC[C@H]1C[C@@H]1CC1(F)F 575458248 352235620 /nfs/dbraw/zinc/23/56/20/352235620.db2.gz LFFABYOFMRDRTL-RNFRBKRXSA-N 0 0 190.189 1.637 10 0 ADAERN Nc1cnc(N[C@@H]2C=CCC2)s1 575458104 352235632 /nfs/dbraw/zinc/23/56/32/352235632.db2.gz IHYUMGJKGKANTM-ZCFIWIBFSA-N 0 0 181.264 1.856 10 0 ADAERN N#CNc1cccc(F)n1 575458163 352235651 /nfs/dbraw/zinc/23/56/51/352235651.db2.gz VTJSYAFYILZBEO-UHFFFAOYSA-N 0 0 137.117 1.114 10 0 ADAERN Cc1ncc(C(=O)[C@@H]2CCCO2)s1 575458238 352235683 /nfs/dbraw/zinc/23/56/83/352235683.db2.gz JRGGPEOECWZANS-ZETCQYMHSA-N 0 0 197.259 1.813 10 0 ADAERN c1cc(-c2cnn3c2NCC3)co1 575458250 352235701 /nfs/dbraw/zinc/23/57/01/352235701.db2.gz LGPOBVROWQDEET-UHFFFAOYSA-N 0 0 175.191 1.569 10 0 ADAERN NC(c1ccsn1)c1ccsn1 575458273 352236058 /nfs/dbraw/zinc/23/60/58/352236058.db2.gz OAMDIJYZAQYOHK-UHFFFAOYSA-N 0 0 197.288 1.648 10 0 ADAERN NNCc1cc2cscc2s1 575458297 352236076 /nfs/dbraw/zinc/23/60/76/352236076.db2.gz FBAGCIZTORSXCR-UHFFFAOYSA-N 0 0 184.289 1.926 10 0 ADAERN C[C@@]1(Cc2cccs2)CC(=O)NN1 575458262 352236090 /nfs/dbraw/zinc/23/60/90/352236090.db2.gz ATWYALCYEDYZSA-SECBINFHSA-N 0 0 196.275 1.074 10 0 ADAERN C[C@]1(Cc2cccs2)CC(=O)NN1 575458263 352236100 /nfs/dbraw/zinc/23/61/00/352236100.db2.gz ATWYALCYEDYZSA-VIFPVBQESA-N 0 0 196.275 1.074 10 0 ADAERN CC(=O)[C@H](C)N1CCC[C@H](F)C1 575458298 352236134 /nfs/dbraw/zinc/23/61/34/352236134.db2.gz OYCAINSZKKWQFV-CBAPKCEASA-N 0 0 173.231 1.398 10 0 ADAERN Cc1ccsc1[C@H]1CC(=O)NN1 575458392 352236141 /nfs/dbraw/zinc/23/61/41/352236141.db2.gz UCZJDBAOZWMTBQ-ZCFIWIBFSA-N 0 0 182.248 1.122 10 0 ADAERN C[C@H](CF)Nc1cc[nH]c(=O)c1N 575458258 352236182 /nfs/dbraw/zinc/23/61/82/352236182.db2.gz AQGQNJVYCAONAH-RXMQYKEDSA-N 0 0 185.202 1.139 10 0 ADAERN CC(=O)[C@@H](C)N1CCC[C@@H](F)C1 575458300 352236258 /nfs/dbraw/zinc/23/62/58/352236258.db2.gz OYCAINSZKKWQFV-VXNVDRBHSA-N 0 0 173.231 1.398 10 0 ADAERN CCc1c(-c2ccsn2)noc1N 575458344 352236298 /nfs/dbraw/zinc/23/62/98/352236298.db2.gz LASFZNZJIHJGFT-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN C[C@@H](CF)Nc1cc[nH]c(=O)c1N 575458261 352236400 /nfs/dbraw/zinc/23/64/00/352236400.db2.gz AQGQNJVYCAONAH-YFKPBYRVSA-N 0 0 185.202 1.139 10 0 ADAERN CC(=O)[C@@H](C)N1CCC[C@H](F)C1 575458291 352236440 /nfs/dbraw/zinc/23/64/40/352236440.db2.gz OYCAINSZKKWQFV-APPZFPTMSA-N 0 0 173.231 1.398 10 0 ADAERN Cc1ccsc1[C@@H]1CC(=O)NN1 575458390 352236456 /nfs/dbraw/zinc/23/64/56/352236456.db2.gz UCZJDBAOZWMTBQ-LURJTMIESA-N 0 0 182.248 1.122 10 0 ADAERN CC(=O)[C@H](C)N1CCC[C@@H](F)C1 575458299 352236497 /nfs/dbraw/zinc/23/64/97/352236497.db2.gz OYCAINSZKKWQFV-IONNQARKSA-N 0 0 173.231 1.398 10 0 ADAERN Fc1ccnc([C@H]2CCCOC2)n1 575458510 352236714 /nfs/dbraw/zinc/23/67/14/352236714.db2.gz XHRSNBUMVQFWCX-ZETCQYMHSA-N 0 0 182.198 1.510 10 0 ADAERN Fc1ccnc(C[C@H]2CC2(F)F)n1 575458571 352236708 /nfs/dbraw/zinc/23/67/08/352236708.db2.gz CTMWXTUOTWEVLP-YFKPBYRVSA-N 0 0 188.152 1.813 10 0 ADAERN COc1cc([C@H]2CC(=O)CO2)sn1 575458558 352236873 /nfs/dbraw/zinc/23/68/73/352236873.db2.gz BZSODGPFEHNEHH-ZCFIWIBFSA-N 0 0 199.231 1.182 10 0 ADAERN CS[C@H]1CC[C@H]1N1CCC(=O)C1 575458588 352236880 /nfs/dbraw/zinc/23/68/80/352236880.db2.gz GNHDGFWOUPARKU-BDAKNGLRSA-N 0 0 185.292 1.155 10 0 ADAERN Cc1csc(-c2n[nH]cc2N)n1 575458587 352236931 /nfs/dbraw/zinc/23/69/31/352236931.db2.gz GGJWMFUSBQHNDI-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN COc1cc([C@@H]2CC(=O)CO2)sn1 575458555 352236980 /nfs/dbraw/zinc/23/69/80/352236980.db2.gz BZSODGPFEHNEHH-LURJTMIESA-N 0 0 199.231 1.182 10 0 ADAERN CS[C@H]1CC[C@@H]1N1CCC(=O)C1 575458590 352237000 /nfs/dbraw/zinc/23/70/00/352237000.db2.gz GNHDGFWOUPARKU-IUCAKERBSA-N 0 0 185.292 1.155 10 0 ADAERN Nc1ccc(N[C@H]2C=CCC2)nc1 575458519 352237050 /nfs/dbraw/zinc/23/70/50/352237050.db2.gz YZZOLQNQUVHWNP-VIFPVBQESA-N 0 0 175.235 1.794 10 0 ADAERN Fc1ccnc([C@@H]2CCCOC2)n1 575458509 352237073 /nfs/dbraw/zinc/23/70/73/352237073.db2.gz XHRSNBUMVQFWCX-SSDOTTSWSA-N 0 0 182.198 1.510 10 0 ADAERN O=C(c1cccnn1)c1ccco1 575458484 352237133 /nfs/dbraw/zinc/23/71/33/352237133.db2.gz YCXLODFDMRNVAE-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN c1ncc(CNc2cnsc2)o1 575458559 352237176 /nfs/dbraw/zinc/23/71/76/352237176.db2.gz CCOPKWIFOXZEMY-UHFFFAOYSA-N 0 0 181.220 1.743 10 0 ADAERN Nc1ccc(N[C@@H]2C=CCC2)nc1 575458518 352237181 /nfs/dbraw/zinc/23/71/81/352237181.db2.gz YZZOLQNQUVHWNP-SECBINFHSA-N 0 0 175.235 1.794 10 0 ADAERN CS[C@@H]1CC[C@@H]1N1CCC(=O)C1 575458589 352237204 /nfs/dbraw/zinc/23/72/04/352237204.db2.gz GNHDGFWOUPARKU-DTWKUNHWSA-N 0 0 185.292 1.155 10 0 ADAERN Cn1c([C@H](O)C(F)F)cnc1Cl 575458521 352237215 /nfs/dbraw/zinc/23/72/15/352237215.db2.gz ZDVHJETXWCXNSY-BYPYZUCNSA-N 0 0 196.584 1.372 10 0 ADAERN Cn1c([C@@H](O)C(F)F)cnc1Cl 575458522 352237245 /nfs/dbraw/zinc/23/72/45/352237245.db2.gz ZDVHJETXWCXNSY-SCSAIBSYSA-N 0 0 196.584 1.372 10 0 ADAERN CS[C@@H]1CC[C@H]1N1CCC(=O)C1 575458591 352237250 /nfs/dbraw/zinc/23/72/50/352237250.db2.gz GNHDGFWOUPARKU-RKDXNWHRSA-N 0 0 185.292 1.155 10 0 ADAERN Fc1ccnc(C[C@@H]2CC2(F)F)n1 575458570 352237259 /nfs/dbraw/zinc/23/72/59/352237259.db2.gz CTMWXTUOTWEVLP-RXMQYKEDSA-N 0 0 188.152 1.813 10 0 ADAERN Cc1cc(F)nc(-c2cn[nH]c2)n1 575458601 352237562 /nfs/dbraw/zinc/23/75/62/352237562.db2.gz HMSSJJXNFQKNBM-UHFFFAOYSA-N 0 0 178.170 1.314 10 0 ADAERN Cc1c[nH]c(=O)n1CC1CC1 575458666 352237618 /nfs/dbraw/zinc/23/76/18/352237618.db2.gz NAWWXDSEWLOYGH-UHFFFAOYSA-N 0 0 152.197 1.307 10 0 ADAERN N[C@@H](C1=CCCO1)c1ccns1 575458706 352237669 /nfs/dbraw/zinc/23/76/69/352237669.db2.gz OXXSISDVTGSFIS-QMMMGPOBSA-N 0 0 182.248 1.447 10 0 ADAERN FC1(F)C[C@@H]1Cc1nc(=S)o[n-]1 575458748 352237684 /nfs/dbraw/zinc/23/76/84/352237684.db2.gz QKBJYCAQXSZEJY-VKHMYHEASA-N 0 0 192.190 1.930 10 0 ADAERN Cc1cc(-c2cncs2)nc(=O)[nH]1 575458752 352237819 /nfs/dbraw/zinc/23/78/19/352237819.db2.gz QBHDRLGFACCMID-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CCc1nnc(-c2ccns2)[nH]1 575458770 352237837 /nfs/dbraw/zinc/23/78/37/352237837.db2.gz IYJYALHHLBHFCN-UHFFFAOYSA-N 0 0 180.236 1.491 10 0 ADAERN C1=C(CNc2cn[nH]c2)CSC1 575458670 352237938 /nfs/dbraw/zinc/23/79/38/352237938.db2.gz NELDULUPYVQLDF-UHFFFAOYSA-N 0 0 181.264 1.495 10 0 ADAERN N[C@H](C1=CCCO1)c1ccns1 575458705 352237955 /nfs/dbraw/zinc/23/79/55/352237955.db2.gz OXXSISDVTGSFIS-MRVPVSSYSA-N 0 0 182.248 1.447 10 0 ADAERN Cc1ncc([C@H](N)C(F)F)s1 575458902 352238420 /nfs/dbraw/zinc/23/84/20/352238420.db2.gz VLVCNPGHWRUKRW-YFKPBYRVSA-N 0 0 178.207 1.716 10 0 ADAERN Cc1ncc([C@@H](N)C(F)F)s1 575458896 352238433 /nfs/dbraw/zinc/23/84/33/352238433.db2.gz VLVCNPGHWRUKRW-RXMQYKEDSA-N 0 0 178.207 1.716 10 0 ADAERN Cn1cnc(-c2cc(F)ccn2)c1 575458936 352238642 /nfs/dbraw/zinc/23/86/42/352238642.db2.gz ZNZUBIIVOILKSJ-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN CNNc1nc(Cl)cs1 575458834 352238659 /nfs/dbraw/zinc/23/86/59/352238659.db2.gz YOKXBDQIUDDGHK-UHFFFAOYSA-N 0 0 163.633 1.343 10 0 ADAERN N#CNc1cnccc1Cl 575458807 352238672 /nfs/dbraw/zinc/23/86/72/352238672.db2.gz MAMWIGDZZCVNFS-UHFFFAOYSA-N 0 0 153.572 1.628 10 0 ADAERN N#CNc1ccc(Br)nc1 575458832 352238732 /nfs/dbraw/zinc/23/87/32/352238732.db2.gz XSANYJQHDJDQKD-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN Cn1cc(-c2cc(F)ncn2)cn1 575458842 352238810 /nfs/dbraw/zinc/23/88/10/352238810.db2.gz CTHQBTZHQZSMIF-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN Cn1cnc(-c2cc(=O)cc[nH]2)c1 575459026 352239115 /nfs/dbraw/zinc/23/91/15/352239115.db2.gz SMKJBZZWIHOIIP-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN COCc1cc(NN)cs1 575459122 352239130 /nfs/dbraw/zinc/23/91/30/352239130.db2.gz NYENBOCWQYQBRM-UHFFFAOYSA-N 0 0 158.226 1.180 10 0 ADAERN COCC(=O)[C@H]1CC12CC2 575459059 352239364 /nfs/dbraw/zinc/23/93/64/352239364.db2.gz WDZOJNAOXGJUIU-ZCFIWIBFSA-N 0 0 140.182 1.002 10 0 ADAERN CCSc1cc[nH]c(=O)c1N 575459048 352239424 /nfs/dbraw/zinc/23/94/24/352239424.db2.gz UXWLRSIAPKSQRB-UHFFFAOYSA-N 0 0 170.237 1.481 10 0 ADAERN COCC(=O)[C@@H]1CC12CC2 575459055 352239515 /nfs/dbraw/zinc/23/95/15/352239515.db2.gz WDZOJNAOXGJUIU-LURJTMIESA-N 0 0 140.182 1.002 10 0 ADAERN C[C@@H](CF)n1cc[nH]c1=S 575459314 352239681 /nfs/dbraw/zinc/23/96/81/352239681.db2.gz UAYAPBZQFKBGPN-YFKPBYRVSA-N 0 0 160.217 1.702 10 0 ADAERN C[C@H](CF)n1cc[nH]c1=S 575459313 352239682 /nfs/dbraw/zinc/23/96/82/352239682.db2.gz UAYAPBZQFKBGPN-RXMQYKEDSA-N 0 0 160.217 1.702 10 0 ADAERN CCc1cncc(=S)[nH]1 575459207 352239840 /nfs/dbraw/zinc/23/98/40/352239840.db2.gz FFGMKUIIPQHBGE-UHFFFAOYSA-N 0 0 140.211 1.702 10 0 ADAERN Cc1cc(-c2c(N)cnn2C)sn1 575459260 352239916 /nfs/dbraw/zinc/23/99/16/352239916.db2.gz PTFJKWWSCGVZDY-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC1CN(c2cccc(F)c2N)C1 575459213 352239931 /nfs/dbraw/zinc/23/99/31/352239931.db2.gz GTUPBUKHQGOLOC-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN COc1nc(F)nc2ccccc12 575459149 352239938 /nfs/dbraw/zinc/23/99/38/352239938.db2.gz SHPIREKEVHDZIA-UHFFFAOYSA-N 0 0 178.166 1.778 10 0 ADAERN Cn1ncc(N)c1-c1ccsn1 575459339 352240113 /nfs/dbraw/zinc/24/01/13/352240113.db2.gz VNQMFNXIVSNETI-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN c1cc(CNc2cnsc2)n[nH]1 575459268 352240165 /nfs/dbraw/zinc/24/01/65/352240165.db2.gz QLGUTVWGZAUKQW-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN Cc1nc(C)c([C@@H]2CC(=O)CO2)s1 575459393 352240428 /nfs/dbraw/zinc/24/04/28/352240428.db2.gz YGTOFFFADGQIGC-QMMMGPOBSA-N 0 0 197.259 1.790 10 0 ADAERN Cc1nc(C)c([C@H]2CC(=O)CO2)s1 575459389 352240472 /nfs/dbraw/zinc/24/04/72/352240472.db2.gz YGTOFFFADGQIGC-MRVPVSSYSA-N 0 0 197.259 1.790 10 0 ADAERN CC(F)(F)c1nnc(C=O)s1 575459391 352240569 /nfs/dbraw/zinc/24/05/69/352240569.db2.gz HSJBKXYDEIOJHW-UHFFFAOYSA-N 0 0 178.163 1.462 10 0 ADAERN Nc1ccnn1-c1ncccc1Cl 575459449 352240600 /nfs/dbraw/zinc/24/06/00/352240600.db2.gz ODNRKIMAGGDOEV-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN NN=c1[nH]c(C2(Cl)CC2)cs1 575459369 352240926 /nfs/dbraw/zinc/24/09/26/352240926.db2.gz GOJYHSKBTXXNTP-UHFFFAOYSA-N 0 0 189.671 1.657 10 0 ADAERN Clc1cc(N2CC=CCC2)ncn1 575459574 352241300 /nfs/dbraw/zinc/24/13/00/352241300.db2.gz BNLFOMLJUJKMHD-UHFFFAOYSA-N 0 0 195.653 1.896 10 0 ADAERN Fc1ccnc(-c2ccncn2)n1 575459631 352241379 /nfs/dbraw/zinc/24/13/79/352241379.db2.gz UAHQQRBJYVHHST-UHFFFAOYSA-N 0 0 176.154 1.073 10 0 ADAERN Cc1c[nH]c(N2CCC23CCC3)n1 575459571 352241620 /nfs/dbraw/zinc/24/16/20/352241620.db2.gz ARTSWGRJZWLKSJ-UHFFFAOYSA-N 0 0 177.251 1.851 10 0 ADAERN C[C@H]1CCN1c1ncnc(Cl)c1N 575459619 352241645 /nfs/dbraw/zinc/24/16/45/352241645.db2.gz PQFFUCSSHLOPNA-YFKPBYRVSA-N 0 0 198.657 1.311 10 0 ADAERN C[C@@H]1CCN1c1ncnc(Cl)c1N 575459618 352241765 /nfs/dbraw/zinc/24/17/65/352241765.db2.gz PQFFUCSSHLOPNA-RXMQYKEDSA-N 0 0 198.657 1.311 10 0 ADAERN C/C=C/[C@H](NN)c1ccsn1 575459647 352241938 /nfs/dbraw/zinc/24/19/38/352241938.db2.gz XXSWRIXUMLDPTG-SZKDQXIBSA-N 0 0 169.253 1.224 10 0 ADAERN Nc1scnc1[C@@H]1CCCO1 575459640 352241943 /nfs/dbraw/zinc/24/19/43/352241943.db2.gz VLFNRIBLNSXESH-YFKPBYRVSA-N 0 0 170.237 1.577 10 0 ADAERN COCc1csc([C@H]2CO2)c1 575460333 352241978 /nfs/dbraw/zinc/24/19/78/352241978.db2.gz AVYXJHODAPPQEN-SSDOTTSWSA-N 0 0 170.233 1.966 10 0 ADAERN C/C=C(C)\C=C/C(=O)NCC 575459649 352242063 /nfs/dbraw/zinc/24/20/63/352242063.db2.gz XZILFBJTVPZVEZ-BGTGQFSUSA-N 0 0 153.225 1.645 10 0 ADAERN Nc1scnc1[C@H]1CCCO1 575459639 352242152 /nfs/dbraw/zinc/24/21/52/352242152.db2.gz VLFNRIBLNSXESH-RXMQYKEDSA-N 0 0 170.237 1.577 10 0 ADAERN N#CN1CCC(=O)c2ccccc21 575459742 352242209 /nfs/dbraw/zinc/24/22/09/352242209.db2.gz PKRWBHNPFPTQHB-UHFFFAOYSA-N 0 0 172.187 1.560 10 0 ADAERN Cc1ncc(-c2nsnc2N)s1 575459733 352242233 /nfs/dbraw/zinc/24/22/33/352242233.db2.gz OASXRFMUTBGUGY-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN C/C=C/[C@@H](NN)c1ccsn1 575459648 352242271 /nfs/dbraw/zinc/24/22/71/352242271.db2.gz XXSWRIXUMLDPTG-YRFDSLTASA-N 0 0 169.253 1.224 10 0 ADAERN COCc1nc(F)c(C)c(F)n1 575459645 352242291 /nfs/dbraw/zinc/24/22/91/352242291.db2.gz WXPWVKPEPVGZAT-UHFFFAOYSA-N 0 0 174.150 1.210 10 0 ADAERN COCc1csc([C@@H]2CO2)c1 575460334 352242392 /nfs/dbraw/zinc/24/23/92/352242392.db2.gz AVYXJHODAPPQEN-ZETCQYMHSA-N 0 0 170.233 1.966 10 0 ADAERN Cc1ncc(C(=O)c2cn[nH]c2)s1 575460379 352242780 /nfs/dbraw/zinc/24/27/80/352242780.db2.gz JLGLAYRLBDELNA-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN NC(=S)[C@H]1CC12CC2 575460477 352242855 /nfs/dbraw/zinc/24/28/55/352242855.db2.gz ZLNRAJKRSQPGOV-SCSAIBSYSA-N 0 0 127.212 1.073 10 0 ADAERN Cc1nc([C@](C)(N)C(F)F)cn1C 575460482 352242881 /nfs/dbraw/zinc/24/28/81/352242881.db2.gz AIBSNVDTENOLHZ-QMMMGPOBSA-N 0 0 189.209 1.168 10 0 ADAERN CN(N)c1cc(Cl)nnc1Cl 575460402 352242904 /nfs/dbraw/zinc/24/29/04/352242904.db2.gz MHGXSKNHRGMCML-UHFFFAOYSA-N 0 0 193.037 1.093 10 0 ADAERN Cc1nc([C@@](C)(N)C(F)F)cn1C 575460481 352242926 /nfs/dbraw/zinc/24/29/26/352242926.db2.gz AIBSNVDTENOLHZ-MRVPVSSYSA-N 0 0 189.209 1.168 10 0 ADAERN Cn1ccc(-c2nccc(F)n2)n1 575460375 352243010 /nfs/dbraw/zinc/24/30/10/352243010.db2.gz IUTPGVRQBPIPAF-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN NC(=S)[C@@H]1CC12CC2 575460476 352243033 /nfs/dbraw/zinc/24/30/33/352243033.db2.gz ZLNRAJKRSQPGOV-BYPYZUCNSA-N 0 0 127.212 1.073 10 0 ADAERN Cc1nc(CN(C)C)nc(F)c1C 575460421 352243142 /nfs/dbraw/zinc/24/31/42/352243142.db2.gz OOVFQVUOYJWADP-UHFFFAOYSA-N 0 0 183.230 1.294 10 0 ADAERN Cc1cc(C)c([C@@H](O)C(F)F)[nH]1 575460659 352243774 /nfs/dbraw/zinc/24/37/74/352243774.db2.gz RXLUIHXGQPVNBB-SSDOTTSWSA-N 0 0 175.178 1.930 10 0 ADAERN COC(=N)c1c(C)cc(C)[nH]c1=O 575460479 352243252 /nfs/dbraw/zinc/24/32/52/352243252.db2.gz ASVQEXFILOVVJO-UHFFFAOYSA-N 0 0 180.207 1.376 10 0 ADAERN Cn1cncc1-c1cc(=S)cc[nH]1 575460368 352243298 /nfs/dbraw/zinc/24/32/98/352243298.db2.gz HVHXZSBYWNOHTC-UHFFFAOYSA-N 0 0 191.259 1.771 10 0 ADAERN Cc1cc(C)c([C@H](O)C(F)F)[nH]1 575460662 352243599 /nfs/dbraw/zinc/24/35/99/352243599.db2.gz RXLUIHXGQPVNBB-ZETCQYMHSA-N 0 0 175.178 1.930 10 0 ADAERN Fc1ccc(N[C@@H]2CNOC2)cc1 575460525 352243863 /nfs/dbraw/zinc/24/38/63/352243863.db2.gz CXXKIFWCXRTQOK-SECBINFHSA-N 0 0 182.198 1.141 10 0 ADAERN Fc1ccc(N[C@H]2CNOC2)cc1 575460532 352243919 /nfs/dbraw/zinc/24/39/19/352243919.db2.gz CXXKIFWCXRTQOK-VIFPVBQESA-N 0 0 182.198 1.141 10 0 ADAERN COC1CC(Nc2cnsc2)C1 575460670 352244048 /nfs/dbraw/zinc/24/40/48/352244048.db2.gz LIYSXARUCPELHQ-UHFFFAOYSA-N 0 0 184.264 1.732 10 0 ADAERN Cn1cncc1-c1cc[nH]c(=S)n1 575460696 352244310 /nfs/dbraw/zinc/24/43/10/352244310.db2.gz OZOXTGRPOCEXDJ-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cc1nc(-c2nccc(F)n2)co1 575460751 352244790 /nfs/dbraw/zinc/24/47/90/352244790.db2.gz RSBAZKIYVSYRSU-UHFFFAOYSA-N 0 0 179.154 1.579 10 0 ADAERN Nc1cncc(NCC2CSC2)c1 575460962 352245255 /nfs/dbraw/zinc/24/52/55/352245255.db2.gz JEAALJWNVODMIL-UHFFFAOYSA-N 0 0 195.291 1.439 10 0 ADAERN C[C@H](CF)Nc1ccncc1F 575460926 352245403 /nfs/dbraw/zinc/24/54/03/352245403.db2.gz DQTAWLLORRSVRA-ZCFIWIBFSA-N 0 0 172.178 1.413 10 0 ADAERN C[C@@H](CF)Nc1ccncc1F 575460924 352245439 /nfs/dbraw/zinc/24/54/39/352245439.db2.gz DQTAWLLORRSVRA-LURJTMIESA-N 0 0 172.178 1.413 10 0 ADAERN CSCC(=O)[C@@H]1COC[C@@H]1C 575461102 352245723 /nfs/dbraw/zinc/24/57/23/352245723.db2.gz BANUJQYMFOXOGK-NKWVEPMBSA-N 0 0 174.265 1.201 10 0 ADAERN CC[C@H]1C[C@@](O)(c2ccc[nH]2)CO1 575461144 352245732 /nfs/dbraw/zinc/24/57/32/352245732.db2.gz IRXBUBUVUKWTMV-WPRPVWTQSA-N 0 0 181.235 1.401 10 0 ADAERN FC1(c2cnc(C3CC3)o2)CNC1 575461060 352245771 /nfs/dbraw/zinc/24/57/71/352245771.db2.gz VBQNPWFZIQMFOS-UHFFFAOYSA-N 0 0 182.198 1.320 10 0 ADAERN CC[C@@H]1C[C@@](O)(c2ccc[nH]2)CO1 575461142 352245777 /nfs/dbraw/zinc/24/57/77/352245777.db2.gz IRXBUBUVUKWTMV-SCZZXKLOSA-N 0 0 181.235 1.401 10 0 ADAERN CC[C@H]1C[C@](O)(c2ccc[nH]2)CO1 575461143 352245827 /nfs/dbraw/zinc/24/58/27/352245827.db2.gz IRXBUBUVUKWTMV-WCBMZHEXSA-N 0 0 181.235 1.401 10 0 ADAERN Cn1cnc(-c2cnc[nH]c2=S)c1 575461169 352245848 /nfs/dbraw/zinc/24/58/48/352245848.db2.gz JKNPVGBHSCXVJB-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN COC1(c2nnc(C)[nH]2)CCCC1 575461041 352245890 /nfs/dbraw/zinc/24/58/90/352245890.db2.gz TVCCUKSUJIACLO-UHFFFAOYSA-N 0 0 181.239 1.529 10 0 ADAERN O=C1NCCCN1C1CC(F)(F)C1 575461075 352246019 /nfs/dbraw/zinc/24/60/19/352246019.db2.gz WRCYIUVOCNAZCO-UHFFFAOYSA-N 0 0 190.193 1.199 10 0 ADAERN CSCC(=O)[C@H]1COC[C@H]1C 575461104 352245898 /nfs/dbraw/zinc/24/58/98/352245898.db2.gz BANUJQYMFOXOGK-RQJHMYQMSA-N 0 0 174.265 1.201 10 0 ADAERN CC[C@@H]1C[C@](O)(c2ccc[nH]2)CO1 575461141 352245901 /nfs/dbraw/zinc/24/59/01/352245901.db2.gz IRXBUBUVUKWTMV-PSASIEDQSA-N 0 0 181.235 1.401 10 0 ADAERN CSCC(=O)[C@@H]1COC[C@H]1C 575461103 352245909 /nfs/dbraw/zinc/24/59/09/352245909.db2.gz BANUJQYMFOXOGK-RNFRBKRXSA-N 0 0 174.265 1.201 10 0 ADAERN Cn1ncc(N)c1-c1cnsc1 575461128 352245978 /nfs/dbraw/zinc/24/59/78/352245978.db2.gz GRALDTOAJLQYEW-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN CSCC(=O)[C@H]1COC[C@@H]1C 575461101 352246055 /nfs/dbraw/zinc/24/60/55/352246055.db2.gz BANUJQYMFOXOGK-BQBZGAKWSA-N 0 0 174.265 1.201 10 0 ADAERN N#CNc1nccc(Cl)n1 575461074 352246092 /nfs/dbraw/zinc/24/60/92/352246092.db2.gz WMJIHUNDIKSDFQ-UHFFFAOYSA-N 0 0 154.560 1.023 10 0 ADAERN O=C(c1cscn1)c1cccnn1 575461120 352246110 /nfs/dbraw/zinc/24/61/10/352246110.db2.gz CRYWYJYPUWORIY-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN Cn1ncc(-c2ccsn2)c1C=O 575461318 352246477 /nfs/dbraw/zinc/24/64/77/352246477.db2.gz URDXDUCSPPTPER-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN C[C@@H](Nc1cncc(Cl)c1)C(N)=O 575461200 352246604 /nfs/dbraw/zinc/24/66/04/352246604.db2.gz MFCUPBOZMPCTAB-RXMQYKEDSA-N 0 0 199.641 1.021 10 0 ADAERN O=C1CO[C@@H](CC(F)(F)F)C1 575461269 352246763 /nfs/dbraw/zinc/24/67/63/352246763.db2.gz SQKGWTBWUQGQFU-RXMQYKEDSA-N 0 0 168.114 1.297 10 0 ADAERN Clc1noc(-c2ccsn2)n1 575461241 352246799 /nfs/dbraw/zinc/24/67/99/352246799.db2.gz QLTBCLBPUGOONU-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN O=C1CO[C@H](CC(F)(F)F)C1 575461271 352246856 /nfs/dbraw/zinc/24/68/56/352246856.db2.gz SQKGWTBWUQGQFU-YFKPBYRVSA-N 0 0 168.114 1.297 10 0 ADAERN Cc1c(F)nc(CN(C)C)nc1F 575461184 352246883 /nfs/dbraw/zinc/24/68/83/352246883.db2.gz MIHMCQZRVDRHMC-UHFFFAOYSA-N 0 0 187.193 1.125 10 0 ADAERN C[C@H](Nc1cncc(Cl)c1)C(N)=O 575461203 352246916 /nfs/dbraw/zinc/24/69/16/352246916.db2.gz MFCUPBOZMPCTAB-YFKPBYRVSA-N 0 0 199.641 1.021 10 0 ADAERN Cc1ncc([C@H](O)c2cn[nH]c2)s1 575461419 352247086 /nfs/dbraw/zinc/24/70/86/352247086.db2.gz HIAQHICEETUVSV-MRVPVSSYSA-N 0 0 195.247 1.256 10 0 ADAERN O=C(c1ccsc1)c1cccnn1 575461360 352247219 /nfs/dbraw/zinc/24/72/19/352247219.db2.gz ZOFKWHOEXKYKCV-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN Cc1cc(=S)n(-c2nccn2C)[nH]1 575461445 352247246 /nfs/dbraw/zinc/24/72/46/352247246.db2.gz ITXXXAVPCVIXSR-UHFFFAOYSA-N 0 0 194.263 1.203 10 0 ADAERN O[C@]1(C[C@H]2CO2)CCCSC1 575461405 352247259 /nfs/dbraw/zinc/24/72/59/352247259.db2.gz DSYUNFWXUXUOSK-YUMQZZPRSA-N 0 0 174.265 1.033 10 0 ADAERN O[C@@]1(C[C@@H]2CO2)CCCSC1 575461401 352247294 /nfs/dbraw/zinc/24/72/94/352247294.db2.gz DSYUNFWXUXUOSK-HTQZYQBOSA-N 0 0 174.265 1.033 10 0 ADAERN Cc1cc([C@@]2([NH3+])CCO[C@H]2C)sn1 575461477 352247359 /nfs/dbraw/zinc/24/73/59/352247359.db2.gz LGVBJTICUCVNOI-IONNQARKSA-N 0 0 198.291 1.414 10 0 ADAERN O[C@@]1(C[C@H]2CO2)CCCSC1 575461403 352247433 /nfs/dbraw/zinc/24/74/33/352247433.db2.gz DSYUNFWXUXUOSK-JGVFFNPUSA-N 0 0 174.265 1.033 10 0 ADAERN Cn1nccc1-c1ccc(=S)[nH]n1 575461364 352247439 /nfs/dbraw/zinc/24/74/39/352247439.db2.gz ZXYAJRRDRBHLQZ-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cn1ncc(N)c1C1=CCCC1 575461371 352247499 /nfs/dbraw/zinc/24/74/99/352247499.db2.gz AZMQGWKFPMBEMJ-UHFFFAOYSA-N 0 0 163.224 1.570 10 0 ADAERN Cc1ncc([C@@H](O)c2cn[nH]c2)s1 575461420 352247513 /nfs/dbraw/zinc/24/75/13/352247513.db2.gz HIAQHICEETUVSV-QMMMGPOBSA-N 0 0 195.247 1.256 10 0 ADAERN O[C@]1(C[C@@H]2CO2)CCCSC1 575461404 352247618 /nfs/dbraw/zinc/24/76/18/352247618.db2.gz DSYUNFWXUXUOSK-SFYZADRCSA-N 0 0 174.265 1.033 10 0 ADAERN CC(F)(F)CN1CCCNC1=O 575461499 352247653 /nfs/dbraw/zinc/24/76/53/352247653.db2.gz QCUYLABKFUFPPR-UHFFFAOYSA-N 0 0 178.182 1.057 10 0 ADAERN Cc1cc([C@@]2([NH3+])CCO[C@@H]2C)sn1 575461478 352247674 /nfs/dbraw/zinc/24/76/74/352247674.db2.gz LGVBJTICUCVNOI-VXNVDRBHSA-N 0 0 198.291 1.414 10 0 ADAERN Cc1cc([C@]2([NH3+])CCO[C@H]2C)sn1 575461476 352247733 /nfs/dbraw/zinc/24/77/33/352247733.db2.gz LGVBJTICUCVNOI-CBAPKCEASA-N 0 0 198.291 1.414 10 0 ADAERN Clc1ccccc1N[C@H]1CNOC1 575461618 352247892 /nfs/dbraw/zinc/24/78/92/352247892.db2.gz JDCLMFNETWJODN-ZETCQYMHSA-N 0 0 198.653 1.655 10 0 ADAERN c1cc(CC[C@@H]2CO2)sn1 575461571 352247915 /nfs/dbraw/zinc/24/79/15/352247915.db2.gz BZKWRAHOLOCADT-ZCFIWIBFSA-N 0 0 155.222 1.475 10 0 ADAERN c1cc(CC[C@H]2CO2)sn1 575461570 352247936 /nfs/dbraw/zinc/24/79/36/352247936.db2.gz BZKWRAHOLOCADT-LURJTMIESA-N 0 0 155.222 1.475 10 0 ADAERN Cn1c([C@H](N)C(F)F)cnc1Cl 575461557 352247940 /nfs/dbraw/zinc/24/79/40/352247940.db2.gz SJWQNSMUWHVRMW-BYPYZUCNSA-N 0 0 195.600 1.338 10 0 ADAERN Clc1nncn1[C@@]12CCC[C@@H]1C2 575461605 352247998 /nfs/dbraw/zinc/24/79/98/352247998.db2.gz IHEFHGIKGQYLHT-HTRCEHHLSA-N 0 0 183.642 1.831 10 0 ADAERN O=C(c1cccnn1)c1ccns1 575461506 352248034 /nfs/dbraw/zinc/24/80/34/352248034.db2.gz NUXXWJLVFBSLPO-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN Cc1csc([C@@]2(C)CC(=O)N2)n1 575461530 352248081 /nfs/dbraw/zinc/24/80/81/352248081.db2.gz RNQBXGOLMFPKPI-MRVPVSSYSA-N 0 0 182.248 1.187 10 0 ADAERN Cn1nc(-c2ccc[nH]2)cc1C=O 575461509 352248137 /nfs/dbraw/zinc/24/81/37/352248137.db2.gz OBCFXJAGCMGBMX-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN O=C1CCC[C@@H]1S[C@H]1CCOC1 575461591 352248177 /nfs/dbraw/zinc/24/81/77/352248177.db2.gz CELZLFBXQPZMPP-CBAPKCEASA-N 0 0 186.276 1.630 10 0 ADAERN Cc1csc([C@]2(C)CC(=O)N2)n1 575461531 352248210 /nfs/dbraw/zinc/24/82/10/352248210.db2.gz RNQBXGOLMFPKPI-QMMMGPOBSA-N 0 0 182.248 1.187 10 0 ADAERN Clc1nncn1[C@]12CCC[C@H]1C2 575461608 352248242 /nfs/dbraw/zinc/24/82/42/352248242.db2.gz IHEFHGIKGQYLHT-XPUUQOCRSA-N 0 0 183.642 1.831 10 0 ADAERN Clc1ccccc1N[C@@H]1CNOC1 575461613 352248267 /nfs/dbraw/zinc/24/82/67/352248267.db2.gz JDCLMFNETWJODN-SSDOTTSWSA-N 0 0 198.653 1.655 10 0 ADAERN O=C1CCC[C@H]1S[C@@H]1CCOC1 575461593 352248324 /nfs/dbraw/zinc/24/83/24/352248324.db2.gz CELZLFBXQPZMPP-VXNVDRBHSA-N 0 0 186.276 1.630 10 0 ADAERN OCc1ccc(-c2c[nH]nn2)s1 575461566 352248329 /nfs/dbraw/zinc/24/83/29/352248329.db2.gz BTWQJZNHQWOJRD-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN O=C1CCC[C@@H]1S[C@@H]1CCOC1 575461590 352248358 /nfs/dbraw/zinc/24/83/58/352248358.db2.gz CELZLFBXQPZMPP-APPZFPTMSA-N 0 0 186.276 1.630 10 0 ADAERN O=C1CCC[C@H]1S[C@H]1CCOC1 575461592 352248363 /nfs/dbraw/zinc/24/83/63/352248363.db2.gz CELZLFBXQPZMPP-IONNQARKSA-N 0 0 186.276 1.630 10 0 ADAERN Cn1c([C@@H](N)C(F)F)cnc1Cl 575461558 352248374 /nfs/dbraw/zinc/24/83/74/352248374.db2.gz SJWQNSMUWHVRMW-SCSAIBSYSA-N 0 0 195.600 1.338 10 0 ADAERN O=N[C@H]1CCCCCN1 575461698 352248708 /nfs/dbraw/zinc/24/87/08/352248708.db2.gz AMTWTZNOUPPZTQ-LURJTMIESA-N 0 0 128.175 1.243 10 0 ADAERN Cn1ncc(-c2ccc[nH]2)c1C=O 575461674 352248756 /nfs/dbraw/zinc/24/87/56/352248756.db2.gz WNEUTKNFEBJFAE-UHFFFAOYSA-N 0 0 175.191 1.228 10 0 ADAERN O=N[C@@H]1CCCCCN1 575461703 352248776 /nfs/dbraw/zinc/24/87/76/352248776.db2.gz AMTWTZNOUPPZTQ-ZCFIWIBFSA-N 0 0 128.175 1.243 10 0 ADAERN Nc1cccc2c1CC(=O)N2 575461646 352248795 /nfs/dbraw/zinc/24/87/95/352248795.db2.gz TUMILQDQFCLNNE-UHFFFAOYSA-N 0 0 148.165 1.456 10 0 ADAERN CC[C@@H]1CS[C@@H](c2cnccn2)N1 575461804 352248803 /nfs/dbraw/zinc/24/88/03/352248803.db2.gz QUEYEJVLJJJRQZ-APPZFPTMSA-N 0 0 195.291 1.590 10 0 ADAERN O=c1ccc(C2(Cl)CC2)n[nH]1 575461796 352248819 /nfs/dbraw/zinc/24/88/19/352248819.db2.gz NVTCFHZSXJHYTE-UHFFFAOYSA-N 0 0 170.599 1.410 10 0 ADAERN Cc1c(N[C@@H]2CCSC2)nnn1C 575461643 352248829 /nfs/dbraw/zinc/24/88/29/352248829.db2.gz SZWKRGQWCWOIEV-SSDOTTSWSA-N 0 0 198.295 1.041 10 0 ADAERN CC[C@H]1CS[C@@H](c2cnccn2)N1 575461805 352248846 /nfs/dbraw/zinc/24/88/46/352248846.db2.gz QUEYEJVLJJJRQZ-CBAPKCEASA-N 0 0 195.291 1.590 10 0 ADAERN Nc1cc(F)ccc1NC1CSC1 575461783 352248928 /nfs/dbraw/zinc/24/89/28/352248928.db2.gz LSZXHRPRDBNYKK-UHFFFAOYSA-N 0 0 198.266 1.935 10 0 ADAERN Cc1c(NCC(F)(F)F)nnn1C 575461655 352248980 /nfs/dbraw/zinc/24/89/80/352248980.db2.gz LYSYYKYHYLMDOR-UHFFFAOYSA-N 0 0 194.160 1.098 10 0 ADAERN CC[C@H]1CS[C@H](c2cnccn2)N1 575461806 352249025 /nfs/dbraw/zinc/24/90/25/352249025.db2.gz QUEYEJVLJJJRQZ-IONNQARKSA-N 0 0 195.291 1.590 10 0 ADAERN CC[C@@H]1CS[C@H](c2cnccn2)N1 575461807 352249035 /nfs/dbraw/zinc/24/90/35/352249035.db2.gz QUEYEJVLJJJRQZ-VXNVDRBHSA-N 0 0 195.291 1.590 10 0 ADAERN Fc1cnccc1NC1CC=CC1 575461849 352249339 /nfs/dbraw/zinc/24/93/39/352249339.db2.gz IDPVIZBXOHULMK-UHFFFAOYSA-N 0 0 178.210 1.773 10 0 ADAERN CO[C@H]1C[C@H]1c1nc(Cl)no1 575461905 352249364 /nfs/dbraw/zinc/24/93/64/352249364.db2.gz WAWOMSUPFHOOFO-DMTCNVIQSA-N 0 0 174.587 1.225 10 0 ADAERN Fc1ccnc(-c2ncccn2)n1 575461859 352249412 /nfs/dbraw/zinc/24/94/12/352249412.db2.gz JJHZDLPJRKZBGC-UHFFFAOYSA-N 0 0 176.154 1.073 10 0 ADAERN CO[C@@H]1C[C@@H]1c1nc(Cl)no1 575461907 352249419 /nfs/dbraw/zinc/24/94/19/352249419.db2.gz WAWOMSUPFHOOFO-IUYQGCFVSA-N 0 0 174.587 1.225 10 0 ADAERN Cn1[nH]c(-c2ccsn2)nc1=S 575461949 352249530 /nfs/dbraw/zinc/24/95/30/352249530.db2.gz JSDTWXSJRMTGEP-UHFFFAOYSA-N 0 0 198.276 1.601 10 0 ADAERN C[C@]1(Cc2cccs2)COC(=O)N1 575461903 352249543 /nfs/dbraw/zinc/24/95/43/352249543.db2.gz VVXVALWAWZWULJ-VIFPVBQESA-N 0 0 197.259 1.789 10 0 ADAERN Fc1nc(Cl)nnc1Cl 575461920 352249557 /nfs/dbraw/zinc/24/95/57/352249557.db2.gz ANEZMJFBGVGNRG-UHFFFAOYSA-N 0 0 167.958 1.318 10 0 ADAERN C[C@@]1(Cc2cccs2)COC(=O)N1 575461902 352249574 /nfs/dbraw/zinc/24/95/74/352249574.db2.gz VVXVALWAWZWULJ-SECBINFHSA-N 0 0 197.259 1.789 10 0 ADAERN C[C@H](NC#N)c1cscn1 575461842 352249615 /nfs/dbraw/zinc/24/96/15/352249615.db2.gz GUVQESFVGJTNPP-YFKPBYRVSA-N 0 0 153.210 1.275 10 0 ADAERN C[C@@H](NC#N)c1cscn1 575461837 352249649 /nfs/dbraw/zinc/24/96/49/352249649.db2.gz GUVQESFVGJTNPP-RXMQYKEDSA-N 0 0 153.210 1.275 10 0 ADAERN CO[C@H]1C[C@@H]1c1nc(Cl)no1 575461906 352249651 /nfs/dbraw/zinc/24/96/51/352249651.db2.gz WAWOMSUPFHOOFO-IMJSIDKUSA-N 0 0 174.587 1.225 10 0 ADAERN CO[C@@H]1C[C@H]1c1nc(Cl)no1 575461908 352249681 /nfs/dbraw/zinc/24/96/81/352249681.db2.gz WAWOMSUPFHOOFO-QWWZWVQMSA-N 0 0 174.587 1.225 10 0 ADAERN Fc1cc(N2CC[C@@H](F)C2)ccn1 575462087 352250046 /nfs/dbraw/zinc/25/00/46/352250046.db2.gz ZWPSRFYGZWWDKC-SSDOTTSWSA-N 0 0 184.189 1.769 10 0 ADAERN Cc1cc(C)n(Cc2cc[nH]n2)c1 575461983 352250058 /nfs/dbraw/zinc/25/00/58/352250058.db2.gz BKTSTCKIRIITBK-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN CNC(=O)C(C)(C)C(F)(F)F 575462071 352250063 /nfs/dbraw/zinc/25/00/63/352250063.db2.gz XTJBPFYSBZVQDD-UHFFFAOYSA-N 0 0 169.146 1.321 10 0 ADAERN ONc1ccc(Br)nn1 575461996 352250075 /nfs/dbraw/zinc/25/00/75/352250075.db2.gz DZLAIQZJLLFLMI-UHFFFAOYSA-N 0 0 190.000 1.040 10 0 ADAERN Cn1ncc(C2=CCCC2)c1C=O 575462053 352250084 /nfs/dbraw/zinc/25/00/84/352250084.db2.gz WESFOSVGIPQTCX-UHFFFAOYSA-N 0 0 176.219 1.800 10 0 ADAERN O=C1NCC2(CCC(F)(F)CC2)O1 575462111 352250106 /nfs/dbraw/zinc/25/01/06/352250106.db2.gz KQSDSSSOTIODFK-UHFFFAOYSA-N 0 0 191.177 1.674 10 0 ADAERN Cc1ncsc1C(=O)[C@H]1CCCO1 575461973 352250168 /nfs/dbraw/zinc/25/01/68/352250168.db2.gz ADYRMZFGZWOASM-SSDOTTSWSA-N 0 0 197.259 1.813 10 0 ADAERN Fc1cc(N2CC[C@H](F)C2)ccn1 575462088 352250179 /nfs/dbraw/zinc/25/01/79/352250179.db2.gz ZWPSRFYGZWWDKC-ZETCQYMHSA-N 0 0 184.189 1.769 10 0 ADAERN Cc1ncc(C2N=NC(=O)S2)s1 575461988 352250188 /nfs/dbraw/zinc/25/01/88/352250188.db2.gz CDXSHNTZXAEGAW-UHFFFAOYSA-N 0 0 199.260 1.676 10 0 ADAERN Cc1ncsc1C(=O)[C@@H]1CCCO1 575461974 352250290 /nfs/dbraw/zinc/25/02/90/352250290.db2.gz ADYRMZFGZWOASM-ZETCQYMHSA-N 0 0 197.259 1.813 10 0 ADAERN c1nscc1NC1CSC1 575461971 352250314 /nfs/dbraw/zinc/25/03/14/352250314.db2.gz OFTLXNHAZCZKDY-UHFFFAOYSA-N 0 0 172.278 1.670 10 0 ADAERN Cn1c(-c2cc(N)on2)cnc1Cl 575462226 352250789 /nfs/dbraw/zinc/25/07/89/352250789.db2.gz BWGQFGSRQHKPCC-UHFFFAOYSA-N 0 0 198.613 1.311 10 0 ADAERN Cc1ncsc1[C@H]1COCC1=O 575462284 352250793 /nfs/dbraw/zinc/25/07/93/352250793.db2.gz OSGLJDDAKAISCY-LURJTMIESA-N 0 0 183.232 1.134 10 0 ADAERN Clc1nnc(-c2ccns2)o1 575462227 352250822 /nfs/dbraw/zinc/25/08/22/352250822.db2.gz BXVHBSNEJCETLU-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN Fc1ncc2ccsc2n1 575462224 352250844 /nfs/dbraw/zinc/25/08/44/352250844.db2.gz BBWLJQIPYWTEAP-UHFFFAOYSA-N 0 0 154.169 1.830 10 0 ADAERN C[C@@]1(Cn2cc[nH]c2=O)CC1(F)F 575462251 352250878 /nfs/dbraw/zinc/25/08/78/352250878.db2.gz IIOPUAZTKJRLGZ-ZETCQYMHSA-N 0 0 188.177 1.634 10 0 ADAERN COc1cc(NC(N)=O)ccc1C 575462271 352250911 /nfs/dbraw/zinc/25/09/11/352250911.db2.gz LTTMYTUSAUEAKH-UHFFFAOYSA-N 0 0 180.207 1.494 10 0 ADAERN Cc1nc(C(=O)C2CC2)[nH]c1C 575462186 352250934 /nfs/dbraw/zinc/25/09/34/352250934.db2.gz YYZVCOTUTWEZTF-UHFFFAOYSA-N 0 0 164.208 1.619 10 0 ADAERN C[C@]1(Cn2cc[nH]c2=O)CC1(F)F 575462250 352250938 /nfs/dbraw/zinc/25/09/38/352250938.db2.gz IIOPUAZTKJRLGZ-SSDOTTSWSA-N 0 0 188.177 1.634 10 0 ADAERN Cc1cn(C(F)F)c(=O)[nH]1 575462170 352250940 /nfs/dbraw/zinc/25/09/40/352250940.db2.gz RTPVMPDBRSAZBF-UHFFFAOYSA-N 0 0 148.112 1.292 10 0 ADAERN Cc1ncsc1[C@@H]1COCC1=O 575462285 352250948 /nfs/dbraw/zinc/25/09/48/352250948.db2.gz OSGLJDDAKAISCY-ZCFIWIBFSA-N 0 0 183.232 1.134 10 0 ADAERN Cc1ncsc1C(=O)C(F)F 575462266 352251128 /nfs/dbraw/zinc/25/11/28/352251128.db2.gz KHWWMMHGGDHVNI-UHFFFAOYSA-N 0 0 177.175 1.899 10 0 ADAERN N[C@@H](Cc1ccns1)C(F)F 575462518 352251509 /nfs/dbraw/zinc/25/15/09/352251509.db2.gz FMPOAHXIBVTHEJ-YFKPBYRVSA-N 0 0 178.207 1.278 10 0 ADAERN Cn1cncc1-c1cccc(=S)[nH]1 575462508 352251526 /nfs/dbraw/zinc/25/15/26/352251526.db2.gz CNENJMAFHGWWTG-UHFFFAOYSA-N 0 0 191.259 1.771 10 0 ADAERN Cc1c(N)nsc1N[C@@H](C)CF 575462378 352251537 /nfs/dbraw/zinc/25/15/37/352251537.db2.gz PEERYEKSUGTTML-BYPYZUCNSA-N 0 0 189.259 1.804 10 0 ADAERN Cc1ccn(-c2cncc(F)n2)n1 575462367 352251610 /nfs/dbraw/zinc/25/16/10/352251610.db2.gz LYKJHDONFUJDCM-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN Cc1c(N)nsc1N[C@H](C)CF 575462379 352251652 /nfs/dbraw/zinc/25/16/52/352251652.db2.gz PEERYEKSUGTTML-SCSAIBSYSA-N 0 0 189.259 1.804 10 0 ADAERN N[C@H](Cc1ccns1)C(F)F 575462517 352251739 /nfs/dbraw/zinc/25/17/39/352251739.db2.gz FMPOAHXIBVTHEJ-RXMQYKEDSA-N 0 0 178.207 1.278 10 0 ADAERN CC(F)(F)CNc1cc(N)ns1 575462369 352251756 /nfs/dbraw/zinc/25/17/56/352251756.db2.gz NEAROHYBKXGLRJ-UHFFFAOYSA-N 0 0 193.222 1.792 10 0 ADAERN O=C1C[C@@H](c2cncc(Cl)c2)N1 575462372 352251871 /nfs/dbraw/zinc/25/18/71/352251871.db2.gz OTSRWBBOKPAJIU-ZETCQYMHSA-N 0 0 182.610 1.296 10 0 ADAERN O=C1C[C@H](c2cncc(Cl)c2)N1 575462371 352251876 /nfs/dbraw/zinc/25/18/76/352251876.db2.gz OTSRWBBOKPAJIU-SSDOTTSWSA-N 0 0 182.610 1.296 10 0 ADAERN Clc1ccc(N2CC=CCN2)nn1 575462535 352252348 /nfs/dbraw/zinc/25/23/48/352252348.db2.gz KIYFZWHAWACYAK-UHFFFAOYSA-N 0 0 196.641 1.011 10 0 ADAERN CO[C@@]1(C)C[C@H]1Nc1ccncn1 575462709 352252861 /nfs/dbraw/zinc/25/28/61/352252861.db2.gz DAFSEZHDGRFWET-APPZFPTMSA-N 0 0 179.223 1.066 10 0 ADAERN Cc1ccc(C(=O)[C@H]2CCOC2)[nH]1 575462684 352252941 /nfs/dbraw/zinc/25/29/41/352252941.db2.gz OQHVIWYFSGVVJM-QMMMGPOBSA-N 0 0 179.219 1.542 10 0 ADAERN O=c1ccnc(C[C@H]2CC2(F)F)[nH]1 575462730 352252972 /nfs/dbraw/zinc/25/29/72/352252972.db2.gz FBTSZKQJEBSMGK-YFKPBYRVSA-N 0 0 186.161 1.380 10 0 ADAERN O=c1ccnc(C[C@@H]2CC2(F)F)[nH]1 575462726 352253038 /nfs/dbraw/zinc/25/30/38/352253038.db2.gz FBTSZKQJEBSMGK-RXMQYKEDSA-N 0 0 186.161 1.380 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2CCOC2)[nH]1 575462682 352253078 /nfs/dbraw/zinc/25/30/78/352253078.db2.gz OQHVIWYFSGVVJM-MRVPVSSYSA-N 0 0 179.219 1.542 10 0 ADAERN S=c1[nH]ccn1Cc1cnccn1 575462700 352253107 /nfs/dbraw/zinc/25/31/07/352253107.db2.gz PIESCFHOJFUKKI-UHFFFAOYSA-N 0 0 192.247 1.010 10 0 ADAERN Cn1cncc1-c1cncc(=S)[nH]1 575462721 352253148 /nfs/dbraw/zinc/25/31/48/352253148.db2.gz DYRDILCIEHJZOY-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN O=C1CO[C@H](c2ccccc2F)C1 575462718 352253167 /nfs/dbraw/zinc/25/31/67/352253167.db2.gz DUUDAVJFUJABCG-JTQLQIEISA-N 0 0 180.178 1.856 10 0 ADAERN O=C(c1cccnn1)c1ccsn1 575462783 352253188 /nfs/dbraw/zinc/25/31/88/352253188.db2.gz ABFXFTFRRSRVTI-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN CCOCc1ccc(N)cn1 575462723 352253232 /nfs/dbraw/zinc/25/32/32/352253232.db2.gz RCPKHDIGNSIJJG-UHFFFAOYSA-N 0 0 152.197 1.200 10 0 ADAERN O=C(c1cccnn1)c1cncs1 575462924 352253545 /nfs/dbraw/zinc/25/35/45/352253545.db2.gz WSSXIRRWEXADKZ-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN C[C@@](O)(C[C@H]1CO1)C1(Cl)CC1 575462847 352253556 /nfs/dbraw/zinc/25/35/56/352253556.db2.gz UBJKCTKINKMXPI-NKWVEPMBSA-N 0 0 176.643 1.298 10 0 ADAERN Clc1cncc(N2CC=CCN2)n1 575462907 352253559 /nfs/dbraw/zinc/25/35/59/352253559.db2.gz ZHNZYHLUHGLRCM-UHFFFAOYSA-N 0 0 196.641 1.011 10 0 ADAERN C[C@@](O)(C[C@@H]1CO1)C1(Cl)CC1 575462848 352253581 /nfs/dbraw/zinc/25/35/81/352253581.db2.gz UBJKCTKINKMXPI-RNFRBKRXSA-N 0 0 176.643 1.298 10 0 ADAERN Cn1cc(-c2cccc(F)n2)nn1 575462961 352253601 /nfs/dbraw/zinc/25/36/01/352253601.db2.gz ZTJKISQOYCKMDS-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN C[C@]1(Cc2ccsc2)COC(=O)N1 575462895 352253608 /nfs/dbraw/zinc/25/36/08/352253608.db2.gz YDSSJJJOAZFUKR-VIFPVBQESA-N 0 0 197.259 1.789 10 0 ADAERN C[C@](O)(C[C@H]1CO1)C1(Cl)CC1 575462846 352253622 /nfs/dbraw/zinc/25/36/22/352253622.db2.gz UBJKCTKINKMXPI-BQBZGAKWSA-N 0 0 176.643 1.298 10 0 ADAERN Fc1ccnc(-c2ccccn2)n1 575462963 352253675 /nfs/dbraw/zinc/25/36/75/352253675.db2.gz ZYPFIACMOZWKQP-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN FC(F)C1(c2n[nH]c(=S)[nH]2)CC1 575462975 352253690 /nfs/dbraw/zinc/25/36/90/352253690.db2.gz SAPZWUYINNIFDN-UHFFFAOYSA-N 0 0 191.206 1.390 10 0 ADAERN Cn1ncc(N)c1-c1cscn1 575462877 352253799 /nfs/dbraw/zinc/25/37/99/352253799.db2.gz HGADZAAPVKXMDE-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN C[C@](O)(C[C@@H]1CO1)C1(Cl)CC1 575462849 352253858 /nfs/dbraw/zinc/25/38/58/352253858.db2.gz UBJKCTKINKMXPI-RQJHMYQMSA-N 0 0 176.643 1.298 10 0 ADAERN C[C@@]1(Cc2ccsc2)COC(=O)N1 575462894 352253862 /nfs/dbraw/zinc/25/38/62/352253862.db2.gz YDSSJJJOAZFUKR-SECBINFHSA-N 0 0 197.259 1.789 10 0 ADAERN NCc1ncc(-c2ccsn2)o1 575463373 352254220 /nfs/dbraw/zinc/25/42/20/352254220.db2.gz QSUOJRXRKUYHKG-UHFFFAOYSA-N 0 0 181.220 1.257 10 0 ADAERN Fc1nccc(N2CCSCC2)n1 575463338 352254260 /nfs/dbraw/zinc/25/42/60/352254260.db2.gz JIPVFEPEFKZNHA-UHFFFAOYSA-N 0 0 199.254 1.169 10 0 ADAERN O=C(c1ccncc1)c1cncs1 575463400 352254387 /nfs/dbraw/zinc/25/43/87/352254387.db2.gz XKEYRGAYEZXMDH-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN NC(=S)N[C@H]1CCCSCC1 575463386 352254411 /nfs/dbraw/zinc/25/44/11/352254411.db2.gz UNRMNLKNEOKQGR-LURJTMIESA-N 0 0 190.337 1.105 10 0 ADAERN NC(=S)N[C@@H]1CCCSCC1 575463387 352254422 /nfs/dbraw/zinc/25/44/22/352254422.db2.gz UNRMNLKNEOKQGR-ZCFIWIBFSA-N 0 0 190.337 1.105 10 0 ADAERN CC(=O)N1Cc2cccc(N)c2C1 575462997 352254479 /nfs/dbraw/zinc/25/44/79/352254479.db2.gz WZCNKKGDCHBDJL-UHFFFAOYSA-N 0 0 176.219 1.131 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)C[C@H]1CO1 575463440 352254481 /nfs/dbraw/zinc/25/44/81/352254481.db2.gz DKVWXKCAQMKTTR-BIIVOSGPSA-N 0 0 174.265 1.032 10 0 ADAERN C[C@@H]1SCC[C@@]1(O)C[C@@H]1CO1 575463443 352254484 /nfs/dbraw/zinc/25/44/84/352254484.db2.gz DKVWXKCAQMKTTR-XLPZGREQSA-N 0 0 174.265 1.032 10 0 ADAERN C[C@@H]1SCC[C@]1(O)C[C@H]1CO1 575463441 352254486 /nfs/dbraw/zinc/25/44/86/352254486.db2.gz DKVWXKCAQMKTTR-FXQIFTODSA-N 0 0 174.265 1.032 10 0 ADAERN O[C@@H](C[C@H]1CO1)c1ccco1 575463362 352254542 /nfs/dbraw/zinc/25/45/42/352254542.db2.gz PLQYLDXZHTWTSI-BQBZGAKWSA-N 0 0 154.165 1.102 10 0 ADAERN OCc1nc(C2(Cl)CC2)c[nH]1 575463402 352254612 /nfs/dbraw/zinc/25/46/12/352254612.db2.gz XRDBLMVHBIKXGG-UHFFFAOYSA-N 0 0 172.615 1.130 10 0 ADAERN O[C@@H](C[C@@H]1CO1)c1ccco1 575463365 352254636 /nfs/dbraw/zinc/25/46/36/352254636.db2.gz PLQYLDXZHTWTSI-RQJHMYQMSA-N 0 0 154.165 1.102 10 0 ADAERN O[C@H](C[C@@H]1CO1)c1ccco1 575463364 352254641 /nfs/dbraw/zinc/25/46/41/352254641.db2.gz PLQYLDXZHTWTSI-RNFRBKRXSA-N 0 0 154.165 1.102 10 0 ADAERN O[C@H](C[C@H]1CO1)c1ccco1 575463363 352254646 /nfs/dbraw/zinc/25/46/46/352254646.db2.gz PLQYLDXZHTWTSI-NKWVEPMBSA-N 0 0 154.165 1.102 10 0 ADAERN C[C@@H]1SCC[C@]1(O)C[C@@H]1CO1 575463442 352254651 /nfs/dbraw/zinc/25/46/51/352254651.db2.gz DKVWXKCAQMKTTR-RNJXMRFFSA-N 0 0 174.265 1.032 10 0 ADAERN C[C@H](Nc1cnsc1)C(C)(C)O 575463549 352255103 /nfs/dbraw/zinc/25/51/03/352255103.db2.gz DGKDOVCNDJHNTA-LURJTMIESA-N 0 0 186.280 1.714 10 0 ADAERN c1cc(-c2cnn3c2NCC3)ns1 575463532 352255181 /nfs/dbraw/zinc/25/51/81/352255181.db2.gz VCGQEMBAWOMLAZ-UHFFFAOYSA-N 0 0 192.247 1.432 10 0 ADAERN C[C@@H](Nc1cnsc1)C(C)(C)O 575463553 352255198 /nfs/dbraw/zinc/25/51/98/352255198.db2.gz DGKDOVCNDJHNTA-ZCFIWIBFSA-N 0 0 186.280 1.714 10 0 ADAERN CCc1c(C)ncnc1F 575463588 352255296 /nfs/dbraw/zinc/25/52/96/352255296.db2.gz WSFJTKRDDUCBRW-UHFFFAOYSA-N 0 0 140.161 1.487 10 0 ADAERN [NH2+]=C(NO)N[C@@H]1CCCC(F)(F)C1 575463559 352255364 /nfs/dbraw/zinc/25/53/64/352255364.db2.gz FABLNOWVNSLRKU-RXMQYKEDSA-N 0 0 193.197 1.067 10 0 ADAERN [NH2+]=C(NO)N[C@H]1CCCC(F)(F)C1 575463560 352255380 /nfs/dbraw/zinc/25/53/80/352255380.db2.gz FABLNOWVNSLRKU-YFKPBYRVSA-N 0 0 193.197 1.067 10 0 ADAERN Cc1cc(-c2nc(O)c[nH]2)ccn1 575463456 352255437 /nfs/dbraw/zinc/25/54/37/352255437.db2.gz IITJPYHNGIBWQF-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN c1nscc1NCc1csnn1 575463609 352255993 /nfs/dbraw/zinc/25/59/93/352255993.db2.gz KFJKHYCHYVSDBF-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN C[C@@]1(Cc2ccsc2)CC(=O)NN1 575463693 352256006 /nfs/dbraw/zinc/25/60/06/352256006.db2.gz OVEFCDKLUWYFHT-SECBINFHSA-N 0 0 196.275 1.074 10 0 ADAERN CO[C@@H](C)c1nnc(C=O)s1 575464029 352256729 /nfs/dbraw/zinc/25/67/29/352256729.db2.gz QBVNSAPVNNFKAT-BYPYZUCNSA-N 0 0 172.209 1.058 10 0 ADAERN O=C1CCC[C@H](Cn2ccnn2)C1 575463930 352256731 /nfs/dbraw/zinc/25/67/31/352256731.db2.gz IENLXIJEXFUDAG-QMMMGPOBSA-N 0 0 179.223 1.037 10 0 ADAERN CO[C@H](C)c1nnc(C=O)s1 575464031 352256771 /nfs/dbraw/zinc/25/67/71/352256771.db2.gz QBVNSAPVNNFKAT-SCSAIBSYSA-N 0 0 172.209 1.058 10 0 ADAERN S=C1N=NC(c2ccsn2)O1 575464057 352256788 /nfs/dbraw/zinc/25/67/88/352256788.db2.gz ZQIACZADHAPKKL-UHFFFAOYSA-N 0 0 185.233 1.482 10 0 ADAERN Cc1csc(-c2c[nH]c(CO)n2)n1 575463998 352256806 /nfs/dbraw/zinc/25/68/06/352256806.db2.gz OMTBFNHHKJJFFR-UHFFFAOYSA-N 0 0 195.247 1.334 10 0 ADAERN O=C1CCC[C@@H](Cn2ccnn2)C1 575463925 352256959 /nfs/dbraw/zinc/25/69/59/352256959.db2.gz IENLXIJEXFUDAG-MRVPVSSYSA-N 0 0 179.223 1.037 10 0 ADAERN CCc1c(Cl)ncnc1NNC 575464020 352256964 /nfs/dbraw/zinc/25/69/64/352256964.db2.gz WQEVLFQHUQCANG-UHFFFAOYSA-N 0 0 186.646 1.239 10 0 ADAERN Nc1cccc(S[C@H]2CC[C@@H]2O)c1 575464196 352257391 /nfs/dbraw/zinc/25/73/91/352257391.db2.gz SUZVDSPZQIMJMC-UWVGGRQHSA-N 0 0 195.287 1.884 10 0 ADAERN Nc1cccc(S[C@@H]2CC[C@@H]2O)c1 575464206 352257395 /nfs/dbraw/zinc/25/73/95/352257395.db2.gz SUZVDSPZQIMJMC-VHSXEESVSA-N 0 0 195.287 1.884 10 0 ADAERN Clc1nc([C@@H]2CCCCO2)no1 575464135 352257600 /nfs/dbraw/zinc/25/76/00/352257600.db2.gz HIVSGGFJXQJLRB-YFKPBYRVSA-N 0 0 188.614 1.965 10 0 ADAERN Clc1nc([C@H]2CCCCO2)no1 575464134 352257656 /nfs/dbraw/zinc/25/76/56/352257656.db2.gz HIVSGGFJXQJLRB-RXMQYKEDSA-N 0 0 188.614 1.965 10 0 ADAERN Nc1cccc(S[C@H]2CC[C@H]2O)c1 575464207 352257677 /nfs/dbraw/zinc/25/76/77/352257677.db2.gz SUZVDSPZQIMJMC-ZJUUUORDSA-N 0 0 195.287 1.884 10 0 ADAERN C[C@@H](NN)C(F)(F)C(F)(F)F 575464167 352257683 /nfs/dbraw/zinc/25/76/83/352257683.db2.gz SLNOQAGNPXZKNL-UWTATZPHSA-N 0 0 178.104 1.036 10 0 ADAERN Nc1cccc(S[C@@H]2CC[C@H]2O)c1 575464176 352257686 /nfs/dbraw/zinc/25/76/86/352257686.db2.gz SUZVDSPZQIMJMC-NXEZZACHSA-N 0 0 195.287 1.884 10 0 ADAERN C[C@H](NN)C(F)(F)C(F)(F)F 575464165 352257713 /nfs/dbraw/zinc/25/77/13/352257713.db2.gz SLNOQAGNPXZKNL-REOHCLBHSA-N 0 0 178.104 1.036 10 0 ADAERN Cc1nc(NC2CSC2)cc(=O)[nH]1 575464230 352258332 /nfs/dbraw/zinc/25/83/32/352258332.db2.gz CRAMHGIDOKBNBJ-UHFFFAOYSA-N 0 0 197.263 1.018 10 0 ADAERN Cc1cn(Cc2ccoc2)c(=O)[nH]1 575464250 352258374 /nfs/dbraw/zinc/25/83/74/352258374.db2.gz VBUVGFOJJMHAJT-UHFFFAOYSA-N 0 0 178.191 1.538 10 0 ADAERN Cc1c[nH]c(=S)n1C1CSC1 575464262 352258408 /nfs/dbraw/zinc/25/84/08/352258408.db2.gz HGFLCFHRYFJKCW-UHFFFAOYSA-N 0 0 186.305 1.768 10 0 ADAERN N[C@@H](c1cccnn1)c1ccco1 575464490 352258746 /nfs/dbraw/zinc/25/87/46/352258746.db2.gz JTQVZGGFFCMBCW-VIFPVBQESA-N 0 0 175.191 1.118 10 0 ADAERN CC(=O)c1c[nH]c([C@H]2CC23CC3)n1 575464480 352258796 /nfs/dbraw/zinc/25/87/96/352258796.db2.gz JQUGYCFMEWIXRV-SSDOTTSWSA-N 0 0 176.219 1.880 10 0 ADAERN O=C1CSC[C@H]1C[C@@H]1CC1(F)F 575464468 352258808 /nfs/dbraw/zinc/25/88/08/352258808.db2.gz USICKUDVTCWTIH-PHDIDXHHSA-N 0 0 192.230 1.964 10 0 ADAERN Cc1c(-c2ccsn2)nn(C)c1N 575464513 352258829 /nfs/dbraw/zinc/25/88/29/352258829.db2.gz VNRZGBGYIQZFLS-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC(=O)c1c[nH]c([C@@H]2CC23CC3)n1 575464485 352258956 /nfs/dbraw/zinc/25/89/56/352258956.db2.gz JQUGYCFMEWIXRV-ZETCQYMHSA-N 0 0 176.219 1.880 10 0 ADAERN O=C1CSC[C@@H]1C[C@@H]1CC1(F)F 575464467 352258968 /nfs/dbraw/zinc/25/89/68/352258968.db2.gz USICKUDVTCWTIH-NTSWFWBYSA-N 0 0 192.230 1.964 10 0 ADAERN Cc1nc(CC(C)C)[nH]c(=S)n1 575464424 352258979 /nfs/dbraw/zinc/25/89/79/352258979.db2.gz HQBGAMOBGGUGHL-UHFFFAOYSA-N 0 0 183.280 1.667 10 0 ADAERN CCc1cn[nH]c(=S)c1 575464459 352259005 /nfs/dbraw/zinc/25/90/05/352259005.db2.gz UELPHJJAJQOOKJ-UHFFFAOYSA-N 0 0 140.211 1.328 10 0 ADAERN N[C@H](c1cccnn1)c1ccco1 575464486 352259025 /nfs/dbraw/zinc/25/90/25/352259025.db2.gz JTQVZGGFFCMBCW-SECBINFHSA-N 0 0 175.191 1.118 10 0 ADAERN Cn1cnc(-c2ccc(Cl)nn2)c1 575464505 352259079 /nfs/dbraw/zinc/25/90/79/352259079.db2.gz ZPPSKRZPHSYFGG-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN O=C1CSC[C@H]1C[C@H]1CC1(F)F 575464470 352259150 /nfs/dbraw/zinc/25/91/50/352259150.db2.gz USICKUDVTCWTIH-RITPCOANSA-N 0 0 192.230 1.964 10 0 ADAERN O=C1CSC[C@@H]1C[C@H]1CC1(F)F 575464472 352259163 /nfs/dbraw/zinc/25/91/63/352259163.db2.gz USICKUDVTCWTIH-WDSKDSINSA-N 0 0 192.230 1.964 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ccncc1F 575464666 352259402 /nfs/dbraw/zinc/25/94/02/352259402.db2.gz YTNMQIXAHIWYBU-XCBNKYQSSA-N 0 0 180.226 1.853 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ccncc1F 575464664 352259427 /nfs/dbraw/zinc/25/94/27/352259427.db2.gz YTNMQIXAHIWYBU-OIBJUYFYSA-N 0 0 180.226 1.853 10 0 ADAERN N[C@@H](c1cnsc1)c1ccns1 575464534 352259498 /nfs/dbraw/zinc/25/94/98/352259498.db2.gz BQTFTLLIKXWJKS-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ccncc1F 575464651 352259613 /nfs/dbraw/zinc/25/96/13/352259613.db2.gz YTNMQIXAHIWYBU-GMSGAONNSA-N 0 0 180.226 1.853 10 0 ADAERN O=c1ncc2c([nH]1)CCC(F)(F)C2 575464543 352259646 /nfs/dbraw/zinc/25/96/46/352259646.db2.gz NAHGFNZZTJWOHQ-UHFFFAOYSA-N 0 0 186.161 1.306 10 0 ADAERN N[C@H](c1cnsc1)c1ccns1 575464532 352259746 /nfs/dbraw/zinc/25/97/46/352259746.db2.gz BQTFTLLIKXWJKS-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN COc1ccc(N)c(NC#N)c1 575464553 352259761 /nfs/dbraw/zinc/25/97/61/352259761.db2.gz ZTDOKZJNQZWPFI-UHFFFAOYSA-N 0 0 163.180 1.170 10 0 ADAERN Cn1cnc(-c2ncc[nH]c2=S)c1 575464581 352259799 /nfs/dbraw/zinc/25/97/99/352259799.db2.gz HECZABSTTHFPTM-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN CN(C)c1nc(F)c2c(n1)CCC2 575464606 352259813 /nfs/dbraw/zinc/25/98/13/352259813.db2.gz SHGUXIBWZBVSEU-UHFFFAOYSA-N 0 0 181.214 1.170 10 0 ADAERN O=C1CO[C@@H](c2ccncc2Cl)C1 575464766 352260091 /nfs/dbraw/zinc/26/00/91/352260091.db2.gz FYWNCQJMECASHZ-SECBINFHSA-N 0 0 197.621 1.766 10 0 ADAERN NC1(c2cnc(C3CC3)s2)COC1 575464731 352260092 /nfs/dbraw/zinc/26/00/92/352260092.db2.gz ZMDRFCKECJUTJX-UHFFFAOYSA-N 0 0 196.275 1.205 10 0 ADAERN CN(N)c1nc(Cl)cs1 575464757 352260147 /nfs/dbraw/zinc/26/01/47/352260147.db2.gz DQAWZQJWDKWLLP-UHFFFAOYSA-N 0 0 163.633 1.106 10 0 ADAERN COc1cc(NC2CSC2)ccn1 575464728 352260183 /nfs/dbraw/zinc/26/01/83/352260183.db2.gz XBGIFXPUJALWFS-UHFFFAOYSA-N 0 0 196.275 1.618 10 0 ADAERN O=C1CO[C@H](c2ccncc2Cl)C1 575464767 352260245 /nfs/dbraw/zinc/26/02/45/352260245.db2.gz FYWNCQJMECASHZ-VIFPVBQESA-N 0 0 197.621 1.766 10 0 ADAERN COC1CC(C(=O)C2CC2)C1 575464752 352260275 /nfs/dbraw/zinc/26/02/75/352260275.db2.gz CWHJUFCCKAFGIV-UHFFFAOYSA-N 0 0 154.209 1.391 10 0 ADAERN Cn1cnc(-c2ccc(=S)[nH]n2)c1 575464706 352260377 /nfs/dbraw/zinc/26/03/77/352260377.db2.gz QYSNNKGVMRKJDK-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cc1nc([C@@H]2CO2)sc1C 575464722 352260418 /nfs/dbraw/zinc/26/04/18/352260418.db2.gz WANPOYVCVZZLTC-LURJTMIESA-N 0 0 155.222 1.831 10 0 ADAERN CCSc1cncc(F)n1 575466711 352267711 /nfs/dbraw/zinc/26/77/11/352267711.db2.gz XAIKTJRYUBVXMK-UHFFFAOYSA-N 0 0 158.201 1.728 10 0 ADAERN C[C@@H]1C[C@@]1(C)C1N=NC(=S)N1C 575464925 352260708 /nfs/dbraw/zinc/26/07/08/352260708.db2.gz GONGANPABBTQPD-SVGQVSJJSA-N 0 0 183.280 1.401 10 0 ADAERN C[C@H]1C[C@@]1(C)C1N=NC(=S)N1C 575464928 352260729 /nfs/dbraw/zinc/26/07/29/352260729.db2.gz GONGANPABBTQPD-YLWLKBPMSA-N 0 0 183.280 1.401 10 0 ADAERN CC1(C)C(C(=O)CO)C1(C)C 575464934 352260785 /nfs/dbraw/zinc/26/07/85/352260785.db2.gz JZMYGOQKNOULLG-UHFFFAOYSA-N 0 0 156.225 1.230 10 0 ADAERN O=C1CO[C@@H]([C@@H]2CCCSC2)C1 575464950 352260824 /nfs/dbraw/zinc/26/08/24/352260824.db2.gz NGFIQRMINWULMM-VXNVDRBHSA-N 0 0 186.276 1.488 10 0 ADAERN O=C1CO[C@H]([C@@H]2CCCSC2)C1 575464947 352260838 /nfs/dbraw/zinc/26/08/38/352260838.db2.gz NGFIQRMINWULMM-APPZFPTMSA-N 0 0 186.276 1.488 10 0 ADAERN CC1(C)CC[C@H](CNC#N)O1 575464859 352260850 /nfs/dbraw/zinc/26/08/50/352260850.db2.gz ATWMWYPSFPEHGB-SSDOTTSWSA-N 0 0 154.213 1.015 10 0 ADAERN C[C@H]1C[C@]1(C)C1N=NC(=S)N1C 575464926 352260853 /nfs/dbraw/zinc/26/08/53/352260853.db2.gz GONGANPABBTQPD-XNCJUZBTSA-N 0 0 183.280 1.401 10 0 ADAERN O=C1CO[C@H]([C@H]2CCCSC2)C1 575464948 352260857 /nfs/dbraw/zinc/26/08/57/352260857.db2.gz NGFIQRMINWULMM-CBAPKCEASA-N 0 0 186.276 1.488 10 0 ADAERN C[C@@H]1C[C@]1(C)C1N=NC(=S)N1C 575464927 352260866 /nfs/dbraw/zinc/26/08/66/352260866.db2.gz GONGANPABBTQPD-XRGYYRRGSA-N 0 0 183.280 1.401 10 0 ADAERN CC1(C)CC[C@@H](CNC#N)O1 575464860 352260887 /nfs/dbraw/zinc/26/08/87/352260887.db2.gz ATWMWYPSFPEHGB-ZETCQYMHSA-N 0 0 154.213 1.015 10 0 ADAERN c1ncc(CNc2cnsc2)cn1 575464876 352260891 /nfs/dbraw/zinc/26/08/91/352260891.db2.gz LCQBREULFPKBJW-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CCc1cc(F)nc(N(C)C)n1 575464883 352260906 /nfs/dbraw/zinc/26/09/06/352260906.db2.gz OYVZGPBWIQVZGU-UHFFFAOYSA-N 0 0 169.203 1.244 10 0 ADAERN O=C1CO[C@@H]([C@H]2CCCSC2)C1 575464949 352261034 /nfs/dbraw/zinc/26/10/34/352261034.db2.gz NGFIQRMINWULMM-IONNQARKSA-N 0 0 186.276 1.488 10 0 ADAERN Cc1nc(-c2ccoc2)nc(=S)[nH]1 575464930 352261049 /nfs/dbraw/zinc/26/10/49/352261049.db2.gz HYTXKXJNFBEGJZ-UHFFFAOYSA-N 0 0 193.231 1.729 10 0 ADAERN N[C@H](c1ccsc1)c1cccnn1 575465191 352261514 /nfs/dbraw/zinc/26/15/14/352261514.db2.gz LFAXHXZIQQGHMA-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN Cc1cc(C)n(Cc2cn[nH]c2)c1 575465134 352261563 /nfs/dbraw/zinc/26/15/63/352261563.db2.gz JAQXWEXVAYOJHD-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN Fc1cncc(-c2nc(Cl)n[nH]2)c1 575465087 352261624 /nfs/dbraw/zinc/26/16/24/352261624.db2.gz HEZMPWAVTQLLCG-UHFFFAOYSA-N 0 0 198.588 1.659 10 0 ADAERN FC(F)(F)c1cn[nH]c(=S)c1 575465151 352261628 /nfs/dbraw/zinc/26/16/28/352261628.db2.gz TYISWXLVIJWPIZ-UHFFFAOYSA-N 0 0 180.154 1.784 10 0 ADAERN N[C@@H](c1ccsc1)c1cccnn1 575465192 352261631 /nfs/dbraw/zinc/26/16/31/352261631.db2.gz LFAXHXZIQQGHMA-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN Fc1nccc(N2CC=CCC2)n1 575465120 352261698 /nfs/dbraw/zinc/26/16/98/352261698.db2.gz VEWLVTNMSHTBOU-UHFFFAOYSA-N 0 0 179.198 1.382 10 0 ADAERN c1ncc(-c2cnn3c2NCC3)s1 575465098 352261710 /nfs/dbraw/zinc/26/17/10/352261710.db2.gz NUWLKGZRFWEBRW-UHFFFAOYSA-N 0 0 192.247 1.432 10 0 ADAERN c1nc(-c2cnn3c2NCC3)cs1 575465190 352261774 /nfs/dbraw/zinc/26/17/74/352261774.db2.gz JZALJTYDWOHDNO-UHFFFAOYSA-N 0 0 192.247 1.432 10 0 ADAERN COC(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575465182 352261787 /nfs/dbraw/zinc/26/17/87/352261787.db2.gz JNOQACLWTYTHNA-FPFOFBBKSA-N 0 0 191.177 1.386 10 0 ADAERN [O-]c1cnn(C[C@H]2CC2(F)F)c1 575465523 352263134 /nfs/dbraw/zinc/26/31/34/352263134.db2.gz CZSGPNLGGBMMAT-RXMQYKEDSA-N 0 0 174.150 1.244 10 0 ADAERN N#CNc1cccc(N)c1 575465297 352262212 /nfs/dbraw/zinc/26/22/12/352262212.db2.gz HOUAKUWVYYAMJW-UHFFFAOYSA-N 0 0 133.154 1.162 10 0 ADAERN Cc1c(NC[C@H]2C[C@@H]2C)nnn1C 575465367 352262131 /nfs/dbraw/zinc/26/21/31/352262131.db2.gz YUNLPIUAVBBEMS-POYBYMJQSA-N 0 0 180.255 1.191 10 0 ADAERN Cc1c(NC[C@@H]2C[C@H]2C)nnn1C 575465368 352262270 /nfs/dbraw/zinc/26/22/70/352262270.db2.gz YUNLPIUAVBBEMS-SVRRBLITSA-N 0 0 180.255 1.191 10 0 ADAERN Cc1c(NC[C@H]2C[C@H]2C)nnn1C 575465362 352262381 /nfs/dbraw/zinc/26/23/81/352262381.db2.gz YUNLPIUAVBBEMS-HTRCEHHLSA-N 0 0 180.255 1.191 10 0 ADAERN Cc1c(NC[C@@H]2C[C@@H]2C)nnn1C 575465369 352262432 /nfs/dbraw/zinc/26/24/32/352262432.db2.gz YUNLPIUAVBBEMS-XPUUQOCRSA-N 0 0 180.255 1.191 10 0 ADAERN Nc1cc(-c2ccns2)no1 575465238 352262451 /nfs/dbraw/zinc/26/24/51/352262451.db2.gz JZVVKZHURZECPU-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Cn1ncc(-c2ccoc2)c1C=O 575465240 352262507 /nfs/dbraw/zinc/26/25/07/352262507.db2.gz KDTATNUQRLSHNA-UHFFFAOYSA-N 0 0 176.175 1.493 10 0 ADAERN Clc1nnc(-c2ccsn2)o1 575465376 352262509 /nfs/dbraw/zinc/26/25/09/352262509.db2.gz OBDLPAILVWHSSE-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN Cc1ccsc1[C@H]1NC(=O)CC1=O 575465748 352264255 /nfs/dbraw/zinc/26/42/55/352264255.db2.gz TWNRDCOMLIIEKK-QMMMGPOBSA-N 0 0 195.243 1.187 10 0 ADAERN [O-]c1cnn(C[C@@H]2CC2(F)F)c1 575465524 352262800 /nfs/dbraw/zinc/26/28/00/352262800.db2.gz CZSGPNLGGBMMAT-YFKPBYRVSA-N 0 0 174.150 1.244 10 0 ADAERN NNc1cccc(OC2CC2)c1F 575465382 352262996 /nfs/dbraw/zinc/26/29/96/352262996.db2.gz JHHCVPZEJUGMNG-UHFFFAOYSA-N 0 0 182.198 1.653 10 0 ADAERN O=CNc1cccc(F)c1O 575465379 352263229 /nfs/dbraw/zinc/26/32/29/352263229.db2.gz IWGSFWSYXFGBQL-UHFFFAOYSA-N 0 0 155.128 1.100 10 0 ADAERN O=c1[nH][nH]c(=S)n1CC1=CCCC1 575465408 352263251 /nfs/dbraw/zinc/26/32/51/352263251.db2.gz BLQCSRWMDNNYNJ-UHFFFAOYSA-N 0 0 197.263 1.383 10 0 ADAERN Cc1nsc2ncnc(F)c12 575465497 352263262 /nfs/dbraw/zinc/26/32/62/352263262.db2.gz NHPVVGWUXGJWTD-UHFFFAOYSA-N 0 0 169.184 1.534 10 0 ADAERN COCc1nc(F)cc(Cl)n1 575465389 352263274 /nfs/dbraw/zinc/26/32/74/352263274.db2.gz KHFQXSYQYBDVHM-UHFFFAOYSA-N 0 0 176.578 1.416 10 0 ADAERN Clc1cccc(N[C@@H]2CNOC2)n1 575465541 352263594 /nfs/dbraw/zinc/26/35/94/352263594.db2.gz HKYYYNVAXIGDBI-ZCFIWIBFSA-N 0 0 199.641 1.050 10 0 ADAERN Cc1cc(F)nc(N2CCCC2)n1 575465554 352263637 /nfs/dbraw/zinc/26/36/37/352263637.db2.gz OOICGRCETPYMDT-UHFFFAOYSA-N 0 0 181.214 1.524 10 0 ADAERN Clc1cccc(N[C@H]2CNOC2)n1 575465531 352263745 /nfs/dbraw/zinc/26/37/45/352263745.db2.gz HKYYYNVAXIGDBI-LURJTMIESA-N 0 0 199.641 1.050 10 0 ADAERN Cn1ncc(-c2cnsc2)c1C=O 575465673 352264027 /nfs/dbraw/zinc/26/40/27/352264027.db2.gz LAFRRTJZVYGZNG-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cn1nc(-c2cncs2)cc1C=O 575465842 352264247 /nfs/dbraw/zinc/26/42/47/352264247.db2.gz ZUKSNSBPZOVSAO-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1ccsc1[C@@H]1NC(=O)CC1=O 575465745 352264268 /nfs/dbraw/zinc/26/42/68/352264268.db2.gz TWNRDCOMLIIEKK-MRVPVSSYSA-N 0 0 195.243 1.187 10 0 ADAERN c1sc(C[C@@H]2CO2)c2c1OCCO2 575465806 352264344 /nfs/dbraw/zinc/26/43/44/352264344.db2.gz UODZIYZJVDVMSU-ZCFIWIBFSA-N 0 0 198.243 1.461 10 0 ADAERN Nc1cnc(C[C@@H]2CC2(F)F)nc1 575465789 352264364 /nfs/dbraw/zinc/26/43/64/352264364.db2.gz ZIBVXVLXLKOLHX-RXMQYKEDSA-N 0 0 185.177 1.257 10 0 ADAERN O=Cc1ccc(N2CC=CC2)cn1 575465781 352264378 /nfs/dbraw/zinc/26/43/78/352264378.db2.gz QHGZWNZLHBAOMD-UHFFFAOYSA-N 0 0 174.203 1.270 10 0 ADAERN O[C@@H](C1=CCCCC1)c1ncc[nH]1 575465716 352264427 /nfs/dbraw/zinc/26/44/27/352264427.db2.gz SSLDOXAIGRYMHA-VIFPVBQESA-N 0 0 178.235 1.944 10 0 ADAERN CC[C@]1(C(F)(F)F)COCCN1 575465740 352264577 /nfs/dbraw/zinc/26/45/77/352264577.db2.gz RGSWNWHSMFYKKI-ZCFIWIBFSA-N 0 0 183.173 1.317 10 0 ADAERN c1sc(C[C@H]2CO2)c2c1OCCO2 575465805 352264598 /nfs/dbraw/zinc/26/45/98/352264598.db2.gz UODZIYZJVDVMSU-LURJTMIESA-N 0 0 198.243 1.461 10 0 ADAERN CC[C@@]1(C(F)(F)F)COCCN1 575465726 352264620 /nfs/dbraw/zinc/26/46/20/352264620.db2.gz RGSWNWHSMFYKKI-LURJTMIESA-N 0 0 183.173 1.317 10 0 ADAERN Fc1cc(NCC2CSC2)ccn1 575465808 352264645 /nfs/dbraw/zinc/26/46/45/352264645.db2.gz XBUKWEWCIAGRFG-UHFFFAOYSA-N 0 0 198.266 1.996 10 0 ADAERN O[C@H](C1=CCCCC1)c1ncc[nH]1 575465705 352264703 /nfs/dbraw/zinc/26/47/03/352264703.db2.gz SSLDOXAIGRYMHA-SECBINFHSA-N 0 0 178.235 1.944 10 0 ADAERN Cc1cc(F)nc(CC2CC2)n1 575465825 352264742 /nfs/dbraw/zinc/26/47/42/352264742.db2.gz ZPODBDZASOSQAK-UHFFFAOYSA-N 0 0 166.199 1.877 10 0 ADAERN Nc1cnc(C[C@H]2CC2(F)F)nc1 575465794 352264766 /nfs/dbraw/zinc/26/47/66/352264766.db2.gz ZIBVXVLXLKOLHX-YFKPBYRVSA-N 0 0 185.177 1.257 10 0 ADAERN O=c1[nH]ccn1CC1=CCCC1 575465956 352264995 /nfs/dbraw/zinc/26/49/95/352264995.db2.gz MDGAKJGRZWMVHW-UHFFFAOYSA-N 0 0 164.208 1.699 10 0 ADAERN Cc1c[nH]c([C@H](O)c2ccoc2)n1 575465921 352265104 /nfs/dbraw/zinc/26/51/04/352265104.db2.gz IKSZWJQYBGAMTI-MRVPVSSYSA-N 0 0 178.191 1.393 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2ccoc2)n1 575465922 352265344 /nfs/dbraw/zinc/26/53/44/352265344.db2.gz IKSZWJQYBGAMTI-QMMMGPOBSA-N 0 0 178.191 1.393 10 0 ADAERN Nc1ccc(Cl)c(NC=O)c1 575465953 352265393 /nfs/dbraw/zinc/26/53/93/352265393.db2.gz MNQMDRBDOMFUJY-UHFFFAOYSA-N 0 0 170.599 1.491 10 0 ADAERN Fc1ccnc(-c2cccnc2)n1 575465982 352265499 /nfs/dbraw/zinc/26/54/99/352265499.db2.gz QXUNVSUEPWJIHC-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN O=c1nccc(C2(Cl)CC2)[nH]1 575465933 352265558 /nfs/dbraw/zinc/26/55/58/352265558.db2.gz KVTMDNJKZWCQOA-UHFFFAOYSA-N 0 0 170.599 1.410 10 0 ADAERN CO[C@@H]1CCC[C@@]2(CC(=O)CO2)C1 575466070 352265764 /nfs/dbraw/zinc/26/57/64/352265764.db2.gz DLVUJKMESMYPQW-NXEZZACHSA-N 0 0 184.235 1.304 10 0 ADAERN O=C1NCC[C@H]1CC1CC=CC1 575466092 352265799 /nfs/dbraw/zinc/26/57/99/352265799.db2.gz JNUHOWIMSMHTQO-VIFPVBQESA-N 0 0 165.236 1.479 10 0 ADAERN Cn1ncc(Cl)c1-c1cc(N)on1 575466023 352265834 /nfs/dbraw/zinc/26/58/34/352265834.db2.gz WLEZRELPWPRFLW-UHFFFAOYSA-N 0 0 198.613 1.311 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1nccnc1C 575466069 352265839 /nfs/dbraw/zinc/26/58/39/352265839.db2.gz DHGROZSCQWAODG-RKDXNWHRSA-N 0 0 176.219 1.478 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1nccnc1C 575466067 352265881 /nfs/dbraw/zinc/26/58/81/352265881.db2.gz DHGROZSCQWAODG-IUCAKERBSA-N 0 0 176.219 1.478 10 0 ADAERN Cn1cnc(-c2cccc(F)n2)c1 575466089 352265939 /nfs/dbraw/zinc/26/59/39/352265939.db2.gz IOPZNVJREUCLHS-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN O=C1NCC[C@@H]1CC1CC=CC1 575466091 352265950 /nfs/dbraw/zinc/26/59/50/352265950.db2.gz JNUHOWIMSMHTQO-SECBINFHSA-N 0 0 165.236 1.479 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1nccnc1C 575466066 352266058 /nfs/dbraw/zinc/26/60/58/352266058.db2.gz DHGROZSCQWAODG-DTWKUNHWSA-N 0 0 176.219 1.478 10 0 ADAERN Cn1cncc1-c1nccc(F)n1 575466008 352266072 /nfs/dbraw/zinc/26/60/72/352266072.db2.gz TUBXJJOZXCBLTQ-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN CO[C@@H]1CCC[C@]2(CC(=O)CO2)C1 575466073 352266096 /nfs/dbraw/zinc/26/60/96/352266096.db2.gz DLVUJKMESMYPQW-ZJUUUORDSA-N 0 0 184.235 1.304 10 0 ADAERN N#CNc1ccc(O)c(F)c1 575466123 352266168 /nfs/dbraw/zinc/26/61/68/352266168.db2.gz QTDGWBHEPUQENP-UHFFFAOYSA-N 0 0 152.128 1.424 10 0 ADAERN CO[C@H]1CCC[C@@]2(CC(=O)CO2)C1 575466072 352266174 /nfs/dbraw/zinc/26/61/74/352266174.db2.gz DLVUJKMESMYPQW-VHSXEESVSA-N 0 0 184.235 1.304 10 0 ADAERN Cc1ncsc1-c1cncc(=O)[nH]1 575466084 352266192 /nfs/dbraw/zinc/26/61/92/352266192.db2.gz FYTKCDDPOSFKGJ-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1nccnc1C 575466065 352266259 /nfs/dbraw/zinc/26/62/59/352266259.db2.gz DHGROZSCQWAODG-BDAKNGLRSA-N 0 0 176.219 1.478 10 0 ADAERN CO[C@H]1CCC[C@]2(CC(=O)CO2)C1 575466071 352266263 /nfs/dbraw/zinc/26/62/63/352266263.db2.gz DLVUJKMESMYPQW-UWVGGRQHSA-N 0 0 184.235 1.304 10 0 ADAERN CCC(F)(F)CNC(=S)NC 575479611 352301099 /nfs/dbraw/zinc/30/10/99/352301099.db2.gz DVGSFFGLRDEXTE-UHFFFAOYSA-N 0 0 182.239 1.126 10 0 ADAERN C[C@@H]1CC[C@@]2(CS1)CC(=O)CO2 575466443 352266434 /nfs/dbraw/zinc/26/64/34/352266434.db2.gz LLIKCZFYHMFSPL-APPZFPTMSA-N 0 0 186.276 1.630 10 0 ADAERN C[C@H]1CC[C@]2(CS1)CC(=O)CO2 575466445 352266444 /nfs/dbraw/zinc/26/64/44/352266444.db2.gz LLIKCZFYHMFSPL-IONNQARKSA-N 0 0 186.276 1.630 10 0 ADAERN Cc1ncsc1-c1nsnc1N 575466167 352266460 /nfs/dbraw/zinc/26/64/60/352266460.db2.gz YVKHJSPRNUPCGT-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Cn1nc(C2CC2)c(F)c1N 575466191 352266477 /nfs/dbraw/zinc/26/64/77/352266477.db2.gz MAXWNFGMBUBKNS-UHFFFAOYSA-N 0 0 155.176 1.019 10 0 ADAERN Nc1c(F)cnn1-c1ccccc1 575466216 352266524 /nfs/dbraw/zinc/26/65/24/352266524.db2.gz YENNSAAFVZSJNS-UHFFFAOYSA-N 0 0 177.182 1.594 10 0 ADAERN C[C@H]1CC[C@@]2(CS1)CC(=O)CO2 575466444 352266544 /nfs/dbraw/zinc/26/65/44/352266544.db2.gz LLIKCZFYHMFSPL-CBAPKCEASA-N 0 0 186.276 1.630 10 0 ADAERN Cc1ncc([C@@H]2COCC2=O)s1 575466207 352266563 /nfs/dbraw/zinc/26/65/63/352266563.db2.gz TWIJPPPRXNTIKR-ZCFIWIBFSA-N 0 0 183.232 1.134 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)C1CC1 575466387 352266585 /nfs/dbraw/zinc/26/65/85/352266585.db2.gz LYAJZWNGQUMUDO-SVRRBLITSA-N 0 0 154.209 1.248 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)C1CC1 575466385 352266686 /nfs/dbraw/zinc/26/66/86/352266686.db2.gz LYAJZWNGQUMUDO-HTRCEHHLSA-N 0 0 154.209 1.248 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)C1CC1 575466388 352266784 /nfs/dbraw/zinc/26/67/84/352266784.db2.gz LYAJZWNGQUMUDO-XPUUQOCRSA-N 0 0 154.209 1.248 10 0 ADAERN Cc1ncc([C@H]2COCC2=O)s1 575466206 352266916 /nfs/dbraw/zinc/26/69/16/352266916.db2.gz TWIJPPPRXNTIKR-LURJTMIESA-N 0 0 183.232 1.134 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)C1CC1 575466386 352266943 /nfs/dbraw/zinc/26/69/43/352266943.db2.gz LYAJZWNGQUMUDO-POYBYMJQSA-N 0 0 154.209 1.248 10 0 ADAERN C[C@@H]1CC[C@]2(CS1)CC(=O)CO2 575466446 352266998 /nfs/dbraw/zinc/26/69/98/352266998.db2.gz LLIKCZFYHMFSPL-VXNVDRBHSA-N 0 0 186.276 1.630 10 0 ADAERN O=C1Cc2c(ccc(O)c2F)N1 575466749 352268490 /nfs/dbraw/zinc/26/84/90/352268490.db2.gz HWNGGUCTRZHKOH-UHFFFAOYSA-N 0 0 167.139 1.718 10 0 ADAERN Cc1ncsc1C(=O)c1cn[nH]c1 575466464 352267479 /nfs/dbraw/zinc/26/74/79/352267479.db2.gz VDYXXHVAHVHPKP-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN NC(=S)CC[C@H]1CC1(F)F 575466615 352267484 /nfs/dbraw/zinc/26/74/84/352267484.db2.gz LPDRRTFTZFHLGQ-BYPYZUCNSA-N 0 0 165.208 1.708 10 0 ADAERN NC(=S)CC[C@@H]1CC1(F)F 575466616 352267616 /nfs/dbraw/zinc/26/76/16/352267616.db2.gz LPDRRTFTZFHLGQ-SCSAIBSYSA-N 0 0 165.208 1.708 10 0 ADAERN C[C@H]1OCC(=O)[C@@H]1CC1CC=CC1 575466806 352268313 /nfs/dbraw/zinc/26/83/13/352268313.db2.gz AKFGLEVGHZVKNJ-PSASIEDQSA-N 0 0 180.247 1.947 10 0 ADAERN O=C(N[C@@H]1C=CCC1)n1ccnc1 575466781 352268061 /nfs/dbraw/zinc/26/80/61/352268061.db2.gz STVPKOSDSCFADW-MRVPVSSYSA-N 0 0 177.207 1.159 10 0 ADAERN Cn1cnnc1-c1cc(F)ccn1 575466798 352268110 /nfs/dbraw/zinc/26/81/10/352268110.db2.gz DKDAJMGFHZKPFY-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN C[C@H]1OCC(=O)[C@H]1CC1CC=CC1 575466810 352268191 /nfs/dbraw/zinc/26/81/91/352268191.db2.gz AKFGLEVGHZVKNJ-SCZZXKLOSA-N 0 0 180.247 1.947 10 0 ADAERN O=C(N[C@H]1C=CCC1)n1ccnc1 575466782 352268199 /nfs/dbraw/zinc/26/81/99/352268199.db2.gz STVPKOSDSCFADW-QMMMGPOBSA-N 0 0 177.207 1.159 10 0 ADAERN C[C@@H]1OCC(=O)[C@@H]1CC1CC=CC1 575466812 352268420 /nfs/dbraw/zinc/26/84/20/352268420.db2.gz AKFGLEVGHZVKNJ-WCBMZHEXSA-N 0 0 180.247 1.947 10 0 ADAERN C[C@@H]1OCC(=O)[C@H]1CC1CC=CC1 575466814 352268447 /nfs/dbraw/zinc/26/84/47/352268447.db2.gz AKFGLEVGHZVKNJ-WPRPVWTQSA-N 0 0 180.247 1.947 10 0 ADAERN C[C@@H]1SCC[C@@H]1Nc1cn(C)nn1 575466893 352268725 /nfs/dbraw/zinc/26/87/25/352268725.db2.gz WAMZOIUEOXNIHJ-BQBZGAKWSA-N 0 0 198.295 1.121 10 0 ADAERN Cn1cncc1C(=O)C(F)(F)Cl 575466942 352268743 /nfs/dbraw/zinc/26/87/43/352268743.db2.gz KRPRZHSMWXJZQK-UHFFFAOYSA-N 0 0 194.568 1.434 10 0 ADAERN CN(N)c1cc(Cl)nc(C2CC2)n1 575466881 352268770 /nfs/dbraw/zinc/26/87/70/352268770.db2.gz NOZQXGZSYGPUFF-UHFFFAOYSA-N 0 0 198.657 1.317 10 0 ADAERN Fc1cncc(N[C@H]2CCSC2)n1 575466857 352268775 /nfs/dbraw/zinc/26/87/75/352268775.db2.gz HUJDIUWVVLFPJV-LURJTMIESA-N 0 0 199.254 1.533 10 0 ADAERN C[C@@H]1SCC[C@H]1Nc1cn(C)nn1 575466894 352268791 /nfs/dbraw/zinc/26/87/91/352268791.db2.gz WAMZOIUEOXNIHJ-NKWVEPMBSA-N 0 0 198.295 1.121 10 0 ADAERN CC(F)(F)C[C@@H]1CSCC1=O 575466935 352268914 /nfs/dbraw/zinc/26/89/14/352268914.db2.gz JFCGBMOOHXSYOK-RXMQYKEDSA-N 0 0 180.219 1.964 10 0 ADAERN C1=C(c2cnn3c2NCC3)CCC1 575466937 352268985 /nfs/dbraw/zinc/26/89/85/352268985.db2.gz KAFLELCXLOCKEE-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN Fc1cncc(N[C@@H]2CCSC2)n1 575466861 352268999 /nfs/dbraw/zinc/26/89/99/352268999.db2.gz HUJDIUWVVLFPJV-ZCFIWIBFSA-N 0 0 199.254 1.533 10 0 ADAERN C[C@@H]1CCN1c1ccnc(C[NH3+])c1 575466963 352269005 /nfs/dbraw/zinc/26/90/05/352269005.db2.gz YSPIVHVMZNNJRK-MRVPVSSYSA-N 0 0 177.251 1.139 10 0 ADAERN O=c1ccnc([C@H]2C[C@@H]3C[C@@H]3C2)[nH]1 575466989 352269034 /nfs/dbraw/zinc/26/90/34/352269034.db2.gz IJAYYPHKVYVPNB-RNLVFQAGSA-N 0 0 176.219 1.696 10 0 ADAERN CC(F)(F)C[C@H]1CSCC1=O 575466936 352269052 /nfs/dbraw/zinc/26/90/52/352269052.db2.gz JFCGBMOOHXSYOK-YFKPBYRVSA-N 0 0 180.219 1.964 10 0 ADAERN C[C@H]1CCN1c1ccnc(C[NH3+])c1 575466964 352269124 /nfs/dbraw/zinc/26/91/24/352269124.db2.gz YSPIVHVMZNNJRK-QMMMGPOBSA-N 0 0 177.251 1.139 10 0 ADAERN O=CNCC1CCC(F)(F)CC1 575466986 352269190 /nfs/dbraw/zinc/26/91/90/352269190.db2.gz HGDRLIIIGMQPHL-UHFFFAOYSA-N 0 0 177.194 1.558 10 0 ADAERN CCNc1nsnc1CC 575466882 352269210 /nfs/dbraw/zinc/26/92/10/352269210.db2.gz PHOIKYOAKABUKI-UHFFFAOYSA-N 0 0 157.242 1.532 10 0 ADAERN C[C@H]1SCC[C@H]1Nc1cn(C)nn1 575466895 352269219 /nfs/dbraw/zinc/26/92/19/352269219.db2.gz WAMZOIUEOXNIHJ-RNFRBKRXSA-N 0 0 198.295 1.121 10 0 ADAERN Cc1nc(Cl)nc(C(C)C)n1 575466908 352269232 /nfs/dbraw/zinc/26/92/32/352269232.db2.gz ZVXZVLMPMMOABA-UHFFFAOYSA-N 0 0 171.631 1.957 10 0 ADAERN C[C@H]1SCC[C@@H]1Nc1cn(C)nn1 575466896 352269235 /nfs/dbraw/zinc/26/92/35/352269235.db2.gz WAMZOIUEOXNIHJ-RQJHMYQMSA-N 0 0 198.295 1.121 10 0 ADAERN C[C@H]1CC(=O)CCN1CC(C)(F)F 575467047 352269483 /nfs/dbraw/zinc/26/94/83/352269483.db2.gz PCQHWNZIWJNBSS-ZETCQYMHSA-N 0 0 191.221 1.695 10 0 ADAERN C[C@@H]1CC(=O)CCN1CC(C)(F)F 575467045 352269520 /nfs/dbraw/zinc/26/95/20/352269520.db2.gz PCQHWNZIWJNBSS-SSDOTTSWSA-N 0 0 191.221 1.695 10 0 ADAERN C[C@@]1(Cc2ccsc2)CNC(=O)O1 575467167 352269784 /nfs/dbraw/zinc/26/97/84/352269784.db2.gz QKICCMWGGHOURY-SECBINFHSA-N 0 0 197.259 1.789 10 0 ADAERN NC(c1cncs1)c1cncs1 575467159 352269827 /nfs/dbraw/zinc/26/98/27/352269827.db2.gz MNLXEZJEELEOBP-UHFFFAOYSA-N 0 0 197.288 1.648 10 0 ADAERN O=C(Nc1cnsc1)c1cn[nH]c1 575467026 352269834 /nfs/dbraw/zinc/26/98/34/352269834.db2.gz FJNGKLYICJZBIR-UHFFFAOYSA-N 0 0 194.219 1.119 10 0 ADAERN O=C(c1cnsc1)c1ccns1 575467098 352269867 /nfs/dbraw/zinc/26/98/67/352269867.db2.gz XKNLBACLHRBXFC-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN C[C@]1(Cc2ccsc2)CNC(=O)O1 575467168 352269905 /nfs/dbraw/zinc/26/99/05/352269905.db2.gz QKICCMWGGHOURY-VIFPVBQESA-N 0 0 197.259 1.789 10 0 ADAERN c1cc(NC[C@@H]2COCCO2)cs1 575467260 352270250 /nfs/dbraw/zinc/27/02/50/352270250.db2.gz CJUKDPHMWSKAGF-SECBINFHSA-N 0 0 199.275 1.575 10 0 ADAERN Cn1cncc1[C@@H]1CCCC(=O)C1 575467195 352270261 /nfs/dbraw/zinc/27/02/61/352270261.db2.gz YMJPROKZIXZORU-MRVPVSSYSA-N 0 0 178.235 1.647 10 0 ADAERN O=C1NCCCN1Cc1ccsn1 575467281 352270282 /nfs/dbraw/zinc/27/02/82/352270282.db2.gz KKMWVRWHRMHTKO-UHFFFAOYSA-N 0 0 197.263 1.058 10 0 ADAERN Cn1cncc1[C@H]1CCCC(=O)C1 575467196 352270372 /nfs/dbraw/zinc/27/03/72/352270372.db2.gz YMJPROKZIXZORU-QMMMGPOBSA-N 0 0 178.235 1.647 10 0 ADAERN C[C@]1(Cc2ccsc2)CNC(=O)C1 575467187 352270396 /nfs/dbraw/zinc/27/03/96/352270396.db2.gz WESLTNCMVLDJGX-SNVBAGLBSA-N 0 0 195.287 1.817 10 0 ADAERN c1cc(NC[C@H]2COCCO2)cs1 575467261 352270422 /nfs/dbraw/zinc/27/04/22/352270422.db2.gz CJUKDPHMWSKAGF-VIFPVBQESA-N 0 0 199.275 1.575 10 0 ADAERN COCc1csc(C(N)=S)c1 575467283 352270426 /nfs/dbraw/zinc/27/04/26/352270426.db2.gz LHROMAYIUIWVMC-UHFFFAOYSA-N 0 0 187.289 1.529 10 0 ADAERN C[C@@]1(Cc2ccsc2)CNC(=O)C1 575467186 352270446 /nfs/dbraw/zinc/27/04/46/352270446.db2.gz WESLTNCMVLDJGX-JTQLQIEISA-N 0 0 195.287 1.817 10 0 ADAERN c1cc(CNc2cnsc2)ncn1 575467334 352270503 /nfs/dbraw/zinc/27/05/03/352270503.db2.gz FFGYPQBFHDXZAU-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN N#CNc1cc(F)ccc1N 575467332 352270593 /nfs/dbraw/zinc/27/05/93/352270593.db2.gz DRNWIVSIJQSDMU-UHFFFAOYSA-N 0 0 151.144 1.301 10 0 ADAERN Fc1cncc(Sc2ncco2)n1 575467300 352270596 /nfs/dbraw/zinc/27/05/96/352270596.db2.gz TYFQDQXJKBCIRH-UHFFFAOYSA-N 0 0 197.194 1.755 10 0 ADAERN Cc1nc2c(F)ncnc2s1 575467382 352270999 /nfs/dbraw/zinc/27/09/99/352270999.db2.gz PPQRBEOHEQHRCA-UHFFFAOYSA-N 0 0 169.184 1.534 10 0 ADAERN N#CN1CCCc2cccc(O)c21 575467389 352271048 /nfs/dbraw/zinc/27/10/48/352271048.db2.gz SRWGHIZRJXIWMN-UHFFFAOYSA-N 0 0 174.203 1.626 10 0 ADAERN Cc1cn(CCCF)c(=O)[nH]1 575467360 352271082 /nfs/dbraw/zinc/27/10/82/352271082.db2.gz JSRFLLGZJPDALF-UHFFFAOYSA-N 0 0 158.176 1.257 10 0 ADAERN Cc1ccc(NC#N)c(O)c1 575467486 352271091 /nfs/dbraw/zinc/27/10/91/352271091.db2.gz XTIRYJSKVLDGGQ-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN O=C1COC2(C1)C[C@@H]1CC[C@H](C2)S1 575467394 352271189 /nfs/dbraw/zinc/27/11/89/352271189.db2.gz UBRSQWNVSWNGFR-ULKQDVFKSA-N 0 0 198.287 1.773 10 0 ADAERN CSCc1nc(F)c(C)c(F)n1 575467388 352271204 /nfs/dbraw/zinc/27/12/04/352271204.db2.gz RXEJOIOUFTVDGC-UHFFFAOYSA-N 0 0 190.218 1.926 10 0 ADAERN CCOC1CCC2(CC1)CC(=O)N2 575467484 352271310 /nfs/dbraw/zinc/27/13/10/352271310.db2.gz VZKJJELGWAJVJT-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN CSc1nc(F)ncc1C 575467354 352271448 /nfs/dbraw/zinc/27/14/48/352271448.db2.gz JHVFVFHSSBEZRD-UHFFFAOYSA-N 0 0 158.201 1.646 10 0 ADAERN Cn1c(C(=O)C(F)F)cnc1Cl 575467548 352271731 /nfs/dbraw/zinc/27/17/31/352271731.db2.gz USWQZOIYLLAEGA-UHFFFAOYSA-N 0 0 194.568 1.521 10 0 ADAERN Cn1cncc1C(=O)C(C)(F)F 575467593 352271943 /nfs/dbraw/zinc/27/19/43/352271943.db2.gz PCHPUWGMOWRHMZ-UHFFFAOYSA-N 0 0 174.150 1.258 10 0 ADAERN Cc1cn(Cc2nccs2)c(=O)[nH]1 575468011 352272455 /nfs/dbraw/zinc/27/24/55/352272455.db2.gz OGIGITGSKHYLRH-UHFFFAOYSA-N 0 0 195.247 1.402 10 0 ADAERN CC1([N@@H+]2CC[C@@H]2C(=O)[O-])CC=CC1 575468000 352272472 /nfs/dbraw/zinc/27/24/72/352272472.db2.gz MIHPCOXQJARNDJ-MRVPVSSYSA-N 0 0 181.235 1.254 10 0 ADAERN Cc1nc([C@H]2CC(=O)CO2)cs1 575467689 352272619 /nfs/dbraw/zinc/27/26/19/352272619.db2.gz DVXCNLHKJHSPFP-MRVPVSSYSA-N 0 0 183.232 1.482 10 0 ADAERN Cc1nc([C@@H]2CC(=O)CO2)cs1 575467690 352272696 /nfs/dbraw/zinc/27/26/96/352272696.db2.gz DVXCNLHKJHSPFP-QMMMGPOBSA-N 0 0 183.232 1.482 10 0 ADAERN CC1([N@@H+]2CC[C@H]2C(=O)[O-])CC=CC1 575468001 352272872 /nfs/dbraw/zinc/27/28/72/352272872.db2.gz MIHPCOXQJARNDJ-QMMMGPOBSA-N 0 0 181.235 1.254 10 0 ADAERN O=C1NC2(CCC(F)(F)CC2)CO1 575467773 352272939 /nfs/dbraw/zinc/27/29/39/352272939.db2.gz YHKKHAMUSWCJHI-UHFFFAOYSA-N 0 0 191.177 1.674 10 0 ADAERN O=c1cc(C2(Cl)CC2)[nH][nH]1 575468061 352273322 /nfs/dbraw/zinc/27/33/22/352273322.db2.gz GJJCGIVPFOROJG-UHFFFAOYSA-N 0 0 158.588 1.343 10 0 ADAERN FC1(F)CCC[N@H+](C[C@@H]2CO2)CC1 575468160 352273340 /nfs/dbraw/zinc/27/33/40/352273340.db2.gz CUHZYSDKLIHCBS-MRVPVSSYSA-N 0 0 191.221 1.506 10 0 ADAERN Nc1ccnn1[C@@H]1CCCSCC1 575468032 352273370 /nfs/dbraw/zinc/27/33/70/352273370.db2.gz SQYCKOIBDJECTN-MRVPVSSYSA-N 0 0 197.307 1.924 10 0 ADAERN Nc1cncc(-c2cncs2)n1 575468093 352273411 /nfs/dbraw/zinc/27/34/11/352273411.db2.gz LQIFZSRFISUAJO-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN N#CNc1cccnc1F 575468157 352273508 /nfs/dbraw/zinc/27/35/08/352273508.db2.gz BNGKQIXNVYAXOA-UHFFFAOYSA-N 0 0 137.117 1.114 10 0 ADAERN Nc1ccnn1[C@H]1CCCSCC1 575468033 352273562 /nfs/dbraw/zinc/27/35/62/352273562.db2.gz SQYCKOIBDJECTN-QMMMGPOBSA-N 0 0 197.307 1.924 10 0 ADAERN C[C@@H](Nc1cn[nH]c1)C1(Cl)CC1 575468275 352274001 /nfs/dbraw/zinc/27/40/01/352274001.db2.gz LEILICVUFUIPJV-ZCFIWIBFSA-N 0 0 185.658 1.982 10 0 ADAERN CCc1nnc(CC(C)=O)s1 575468303 352274014 /nfs/dbraw/zinc/27/40/14/352274014.db2.gz QIVAYXRHVDVKPD-UHFFFAOYSA-N 0 0 170.237 1.232 10 0 ADAERN c1nscc1-c1cnn2c1NCC2 575468324 352274136 /nfs/dbraw/zinc/27/41/36/352274136.db2.gz AXZXGFNAEDVDQX-UHFFFAOYSA-N 0 0 192.247 1.432 10 0 ADAERN C[C@H]1CCCCC[C@@H]1N(C)C(N)=O 575468320 352274204 /nfs/dbraw/zinc/27/42/04/352274204.db2.gz SMLUBMGRMKDVQO-IUCAKERBSA-N 0 0 184.283 1.966 10 0 ADAERN C[C@@H]1CCN1c1cncc(N)c1 575468334 352274239 /nfs/dbraw/zinc/27/42/39/352274239.db2.gz DCBBQWYTFUBUBT-SSDOTTSWSA-N 0 0 163.224 1.262 10 0 ADAERN C[C@H](Nc1cn[nH]c1)C1(Cl)CC1 575468274 352274264 /nfs/dbraw/zinc/27/42/64/352274264.db2.gz LEILICVUFUIPJV-LURJTMIESA-N 0 0 185.658 1.982 10 0 ADAERN Cc1csc(-c2ccc(=O)[nH]n2)n1 575468280 352274291 /nfs/dbraw/zinc/27/42/91/352274291.db2.gz NBGNSDUAXNGAHH-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1N(C)C(N)=O 575468318 352274303 /nfs/dbraw/zinc/27/43/03/352274303.db2.gz SMLUBMGRMKDVQO-BDAKNGLRSA-N 0 0 184.283 1.966 10 0 ADAERN C[C@@H]1CCCCC[C@H]1N(C)C(N)=O 575468321 352274357 /nfs/dbraw/zinc/27/43/57/352274357.db2.gz SMLUBMGRMKDVQO-RKDXNWHRSA-N 0 0 184.283 1.966 10 0 ADAERN Fc1ncc2sccc2n1 575468186 352274424 /nfs/dbraw/zinc/27/44/24/352274424.db2.gz KUKHYZRTBYHFMG-UHFFFAOYSA-N 0 0 154.169 1.830 10 0 ADAERN C[C@H]1CCCCC[C@H]1N(C)C(N)=O 575468319 352274450 /nfs/dbraw/zinc/27/44/50/352274450.db2.gz SMLUBMGRMKDVQO-DTWKUNHWSA-N 0 0 184.283 1.966 10 0 ADAERN Cc1nccnc1[C@@H]1NC[C@@H](C)S1 575468451 352274736 /nfs/dbraw/zinc/27/47/36/352274736.db2.gz KZXSLYHWHIQKOV-HZGVNTEJSA-N 0 0 195.291 1.509 10 0 ADAERN Cc1nccnc1[C@H]1NC[C@H](C)S1 575468454 352274792 /nfs/dbraw/zinc/27/47/92/352274792.db2.gz KZXSLYHWHIQKOV-RCOVLWMOSA-N 0 0 195.291 1.509 10 0 ADAERN Cc1ncsc1[C@H](O)c1cn[nH]c1 575468410 352274854 /nfs/dbraw/zinc/27/48/54/352274854.db2.gz RYEIEBWYYGGORQ-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1c[nH]c([C@H](O)C2=CCCO2)n1 575468433 352274895 /nfs/dbraw/zinc/27/48/95/352274895.db2.gz BNKULWDMGVRYCE-MRVPVSSYSA-N 0 0 180.207 1.056 10 0 ADAERN O=C1CC[C@@H](C[C@H]2CCCCO2)N1 575468361 352274927 /nfs/dbraw/zinc/27/49/27/352274927.db2.gz LSJONZIEKJHRAB-DTWKUNHWSA-N 0 0 183.251 1.224 10 0 ADAERN Cc1c[nH]c([C@@H](O)C2=CCCO2)n1 575468434 352274972 /nfs/dbraw/zinc/27/49/72/352274972.db2.gz BNKULWDMGVRYCE-QMMMGPOBSA-N 0 0 180.207 1.056 10 0 ADAERN OC1(C[C@@H]2CO2)CCCCCC1 575468351 352275034 /nfs/dbraw/zinc/27/50/34/352275034.db2.gz VESXOYISPAVGEG-SECBINFHSA-N 0 0 170.252 1.861 10 0 ADAERN Cc1nccnc1[C@H]1NC[C@@H](C)S1 575468453 352275046 /nfs/dbraw/zinc/27/50/46/352275046.db2.gz KZXSLYHWHIQKOV-MUWHJKNJSA-N 0 0 195.291 1.509 10 0 ADAERN O=C1CC[C@H](C[C@H]2CCCCO2)N1 575468363 352275064 /nfs/dbraw/zinc/27/50/64/352275064.db2.gz LSJONZIEKJHRAB-RKDXNWHRSA-N 0 0 183.251 1.224 10 0 ADAERN O=C1CC[C@@H](C[C@@H]2CCCCO2)N1 575468362 352275093 /nfs/dbraw/zinc/27/50/93/352275093.db2.gz LSJONZIEKJHRAB-IUCAKERBSA-N 0 0 183.251 1.224 10 0 ADAERN OC1(C[C@H]2CO2)CCCCCC1 575468352 352275096 /nfs/dbraw/zinc/27/50/96/352275096.db2.gz VESXOYISPAVGEG-VIFPVBQESA-N 0 0 170.252 1.861 10 0 ADAERN Cc1nccnc1[C@@H]1NC[C@H](C)S1 575468452 352275105 /nfs/dbraw/zinc/27/51/05/352275105.db2.gz KZXSLYHWHIQKOV-IMTBSYHQSA-N 0 0 195.291 1.509 10 0 ADAERN O=C1CC[C@H](C[C@@H]2CCCCO2)N1 575468360 352275139 /nfs/dbraw/zinc/27/51/39/352275139.db2.gz LSJONZIEKJHRAB-BDAKNGLRSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@H]1CCN1c1cncc(N)c1 575468335 352275166 /nfs/dbraw/zinc/27/51/66/352275166.db2.gz DCBBQWYTFUBUBT-ZETCQYMHSA-N 0 0 163.224 1.262 10 0 ADAERN Cc1ncsc1[C@@H](O)c1cn[nH]c1 575468411 352275191 /nfs/dbraw/zinc/27/51/91/352275191.db2.gz RYEIEBWYYGGORQ-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN O=c1[nH]ccn1[C@H]1C=CCC1 575468560 352275621 /nfs/dbraw/zinc/27/56/21/352275621.db2.gz SKGNARVQCUYAEA-ZETCQYMHSA-N 0 0 150.181 1.480 10 0 ADAERN O=c1[nH]ccn1[C@@H]1C=CCC1 575468559 352275737 /nfs/dbraw/zinc/27/57/37/352275737.db2.gz SKGNARVQCUYAEA-SSDOTTSWSA-N 0 0 150.181 1.480 10 0 ADAERN COCc1nc(F)c(F)c(F)n1 575468694 352276296 /nfs/dbraw/zinc/27/62/96/352276296.db2.gz MUBFZGURDWJJLC-UHFFFAOYSA-N 0 0 178.113 1.040 10 0 ADAERN Cc1c(F)ncnc1NC1CSC1 575468846 352276322 /nfs/dbraw/zinc/27/63/22/352276322.db2.gz FLKHRGDLHRKJDI-UHFFFAOYSA-N 0 0 199.254 1.451 10 0 ADAERN CC(F)(F)CNc1ccc(N)cn1 575468788 352276328 /nfs/dbraw/zinc/27/63/28/352276328.db2.gz KIJBFHBHPNNCOE-UHFFFAOYSA-N 0 0 187.193 1.731 10 0 ADAERN Cc1cc([C@H]2COCC2=O)sn1 575468774 352276340 /nfs/dbraw/zinc/27/63/40/352276340.db2.gz GPVJOVQEDBDHAG-LURJTMIESA-N 0 0 183.232 1.134 10 0 ADAERN Cc1cc([C@@H]2COCC2=O)sn1 575468775 352276341 /nfs/dbraw/zinc/27/63/41/352276341.db2.gz GPVJOVQEDBDHAG-ZCFIWIBFSA-N 0 0 183.232 1.134 10 0 ADAERN C[C@@H](CF)Nc1ccc(F)cn1 575468835 352276385 /nfs/dbraw/zinc/27/63/85/352276385.db2.gz QDWPLLFTRBQFEC-LURJTMIESA-N 0 0 172.178 1.991 10 0 ADAERN C[C@H]1COC[C@@]1([NH3+])c1ccsc1 575468823 352276416 /nfs/dbraw/zinc/27/64/16/352276416.db2.gz OHHFWTFTHGYMLP-CBAPKCEASA-N 0 0 183.276 1.568 10 0 ADAERN C[C@H](CF)Nc1ccc(F)cn1 575468836 352276445 /nfs/dbraw/zinc/27/64/45/352276445.db2.gz QDWPLLFTRBQFEC-ZCFIWIBFSA-N 0 0 172.178 1.991 10 0 ADAERN C[C@H]1COC[C@]1([NH3+])c1ccsc1 575468824 352276467 /nfs/dbraw/zinc/27/64/67/352276467.db2.gz OHHFWTFTHGYMLP-IONNQARKSA-N 0 0 183.276 1.568 10 0 ADAERN Cn1cc(-c2nccc(F)n2)cn1 575468848 352276588 /nfs/dbraw/zinc/27/65/88/352276588.db2.gz SOPIOULARWHMGC-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN Cc1cc(F)nc([C@H]2CCOC2)n1 575469002 352277089 /nfs/dbraw/zinc/27/70/89/352277089.db2.gz MIWZLLMUFYUMHC-ZETCQYMHSA-N 0 0 182.198 1.428 10 0 ADAERN C/C=C/[C@H](O)c1ncc[nH]1 575468890 352277097 /nfs/dbraw/zinc/27/70/97/352277097.db2.gz GWBFPMCMBFJLRJ-SZKDQXIBSA-N 0 0 138.170 1.019 10 0 ADAERN CNc1cccc(-c2cn[nH]n2)c1 575468885 352277106 /nfs/dbraw/zinc/27/71/06/352277106.db2.gz AMRWEULFWUOXGR-UHFFFAOYSA-N 0 0 174.207 1.513 10 0 ADAERN Cn1nccc1-c1cccc(=S)[nH]1 575468978 352277143 /nfs/dbraw/zinc/27/71/43/352277143.db2.gz IAWSYESSGGIMLM-UHFFFAOYSA-N 0 0 191.259 1.771 10 0 ADAERN C/C=C/[C@@H](O)c1ncc[nH]1 575468891 352277187 /nfs/dbraw/zinc/27/71/87/352277187.db2.gz GWBFPMCMBFJLRJ-YRFDSLTASA-N 0 0 138.170 1.019 10 0 ADAERN Cc1cc(F)nc([C@@H]2CCOC2)n1 575469001 352277317 /nfs/dbraw/zinc/27/73/17/352277317.db2.gz MIWZLLMUFYUMHC-SSDOTTSWSA-N 0 0 182.198 1.428 10 0 ADAERN Cc1nc(F)c(Cl)nc1C 575468906 352277355 /nfs/dbraw/zinc/27/73/55/352277355.db2.gz MKPQUKQZMFUQEW-UHFFFAOYSA-N 0 0 160.579 1.886 10 0 ADAERN Cn1cncc1C1N=NC(=S)S1 575468892 352277372 /nfs/dbraw/zinc/27/73/72/352277372.db2.gz HUNLLKKKTXZPTP-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN C1=C[C@H]2C[C@@H]1C[C@@H]2Nc1cnns1 575469063 352277722 /nfs/dbraw/zinc/27/77/22/352277722.db2.gz ZIVIFKNTKZOZAB-CSMHCCOUSA-N 0 0 193.275 1.915 10 0 ADAERN C1=C[C@H]2C[C@@H]1C[C@H]2Nc1cnns1 575469064 352277758 /nfs/dbraw/zinc/27/77/58/352277758.db2.gz ZIVIFKNTKZOZAB-GJMOJQLCSA-N 0 0 193.275 1.915 10 0 ADAERN CC[C@]1(C(F)(F)F)CC(=O)CO1 575469060 352277824 /nfs/dbraw/zinc/27/78/24/352277824.db2.gz YNAGOOBEODQNFN-ZCFIWIBFSA-N 0 0 182.141 1.687 10 0 ADAERN O=c1[nH]ccnc1[C@H]1CCCCO1 575469038 352277884 /nfs/dbraw/zinc/27/78/84/352277884.db2.gz UUJPEIFPTIDLJX-SSDOTTSWSA-N 0 0 180.207 1.012 10 0 ADAERN Cc1cc([C@@H]2CC(=O)CO2)sn1 575469037 352277904 /nfs/dbraw/zinc/27/79/04/352277904.db2.gz UQHJKSYIVSXRJR-ZETCQYMHSA-N 0 0 183.232 1.482 10 0 ADAERN O=C1CN=C([C@H]2CCCC23CC3)N1 575469171 352277932 /nfs/dbraw/zinc/27/79/32/352277932.db2.gz DLCUNPMSOLLDIZ-SSDOTTSWSA-N 0 0 178.235 1.095 10 0 ADAERN O=C1CN=C([C@@H]2CCCC23CC3)N1 575469172 352277941 /nfs/dbraw/zinc/27/79/41/352277941.db2.gz DLCUNPMSOLLDIZ-ZETCQYMHSA-N 0 0 178.235 1.095 10 0 ADAERN CC[C@@]1(C(F)(F)F)CC(=O)CO1 575469059 352277977 /nfs/dbraw/zinc/27/79/77/352277977.db2.gz YNAGOOBEODQNFN-LURJTMIESA-N 0 0 182.141 1.687 10 0 ADAERN FC1(F)C[C@H]1Cc1noc(Cl)n1 575469122 352277987 /nfs/dbraw/zinc/27/79/87/352277987.db2.gz NPQPIWMHTJJTGN-GSVOUGTGSA-N 0 0 194.568 1.921 10 0 ADAERN CNc1ccnc2sncc12 575469092 352278005 /nfs/dbraw/zinc/27/80/05/352278005.db2.gz IWOFUKLJKVAMRR-UHFFFAOYSA-N 0 0 165.221 1.733 10 0 ADAERN FC1(F)C[C@@H]1Cc1noc(Cl)n1 575469123 352278006 /nfs/dbraw/zinc/27/80/06/352278006.db2.gz NPQPIWMHTJJTGN-VKHMYHEASA-N 0 0 194.568 1.921 10 0 ADAERN Clc1noc(-c2ccns2)n1 575469135 352278077 /nfs/dbraw/zinc/27/80/77/352278077.db2.gz RJHYTUGWMHXBRX-UHFFFAOYSA-N 0 0 187.611 1.847 10 0 ADAERN O=c1[nH]ccnc1[C@@H]1CCCCO1 575469039 352278126 /nfs/dbraw/zinc/27/81/26/352278126.db2.gz UUJPEIFPTIDLJX-ZETCQYMHSA-N 0 0 180.207 1.012 10 0 ADAERN C[C@@H]1C[C@@H](c2ncc(C=O)o2)CO1 575469212 352278496 /nfs/dbraw/zinc/27/84/96/352278496.db2.gz PPZXGBJLHCWZJK-RNFRBKRXSA-N 0 0 181.191 1.380 10 0 ADAERN Cn1cnc(-c2cnc(F)nc2)c1 575469220 352278504 /nfs/dbraw/zinc/27/85/04/352278504.db2.gz JKQBXOQXKZNDPI-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN CSC[C@H]([NH3+])c1cnc(C)s1 575469280 352278547 /nfs/dbraw/zinc/27/85/47/352278547.db2.gz BISUVNLAGSDSMJ-LURJTMIESA-N 0 0 188.321 1.814 10 0 ADAERN Nc1ccc([C@@H](O)C2CC2)nc1 575469199 352278637 /nfs/dbraw/zinc/27/86/37/352278637.db2.gz DIWWWWDWXWRCKD-VIFPVBQESA-N 0 0 164.208 1.107 10 0 ADAERN C[C@@H]1C[C@H](c2ncc(C=O)o2)CO1 575469214 352278641 /nfs/dbraw/zinc/27/86/41/352278641.db2.gz PPZXGBJLHCWZJK-RQJHMYQMSA-N 0 0 181.191 1.380 10 0 ADAERN C[C@H]1C[C@@H](c2ncc(C=O)o2)CO1 575469210 352278645 /nfs/dbraw/zinc/27/86/45/352278645.db2.gz PPZXGBJLHCWZJK-NKWVEPMBSA-N 0 0 181.191 1.380 10 0 ADAERN C[C@H]1C[C@H](c2ncc(C=O)o2)CO1 575469208 352278787 /nfs/dbraw/zinc/27/87/87/352278787.db2.gz PPZXGBJLHCWZJK-BQBZGAKWSA-N 0 0 181.191 1.380 10 0 ADAERN Nc1ccc([C@H](O)C2CC2)nc1 575469197 352278822 /nfs/dbraw/zinc/27/88/22/352278822.db2.gz DIWWWWDWXWRCKD-SECBINFHSA-N 0 0 164.208 1.107 10 0 ADAERN Cc1ncsc1-c1cnc(N)cn1 575469257 352278840 /nfs/dbraw/zinc/27/88/40/352278840.db2.gz YKAAFSWZAVLBTJ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CSC[C@@H]([NH3+])c1cnc(C)s1 575469281 352278844 /nfs/dbraw/zinc/27/88/44/352278844.db2.gz BISUVNLAGSDSMJ-ZCFIWIBFSA-N 0 0 188.321 1.814 10 0 ADAERN C[C@H](O)c1cc(N)cc(Cl)c1 575469458 352279181 /nfs/dbraw/zinc/27/91/81/352279181.db2.gz OLZAFFTZMPNRDD-YFKPBYRVSA-N 0 0 171.627 1.976 10 0 ADAERN C[C@@H](O)c1cc(N)cc(Cl)c1 575469457 352279214 /nfs/dbraw/zinc/27/92/14/352279214.db2.gz OLZAFFTZMPNRDD-RXMQYKEDSA-N 0 0 171.627 1.976 10 0 ADAERN C[C@@H]1CN(CC(C)(F)F)CCC1=O 575469353 352279237 /nfs/dbraw/zinc/27/92/37/352279237.db2.gz WVRUHGLLBBFXHY-SSDOTTSWSA-N 0 0 191.221 1.553 10 0 ADAERN C1=C(CNc2cnsc2)COCC1 575469440 352279279 /nfs/dbraw/zinc/27/92/79/352279279.db2.gz GOUHXRQAOVCZMY-UHFFFAOYSA-N 0 0 196.275 1.902 10 0 ADAERN C[C@H]1CN(CC(C)(F)F)CCC1=O 575469355 352279313 /nfs/dbraw/zinc/27/93/13/352279313.db2.gz WVRUHGLLBBFXHY-ZETCQYMHSA-N 0 0 191.221 1.553 10 0 ADAERN O=C(c1ccoc1)c1cccnn1 575469421 352279319 /nfs/dbraw/zinc/27/93/19/352279319.db2.gz WULUVRZITVWGKT-UHFFFAOYSA-N 0 0 174.159 1.301 10 0 ADAERN Cn1cc(Cc2nc(Cl)no2)cn1 575469383 352279323 /nfs/dbraw/zinc/27/93/23/352279323.db2.gz ONPWVVJNNNVQNS-UHFFFAOYSA-N 0 0 198.613 1.047 10 0 ADAERN Clc1nsc(-c2cccnn2)n1 575469470 352279537 /nfs/dbraw/zinc/27/95/37/352279537.db2.gz WSOIUMPHWFJJJL-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CC(C)c1nsc(F)n1 575469452 352279541 /nfs/dbraw/zinc/27/95/41/352279541.db2.gz MWZXMSPMSWPWQN-UHFFFAOYSA-N 0 0 146.190 1.801 10 0 ADAERN O=C(c1ccncn1)c1cncs1 575469403 352279570 /nfs/dbraw/zinc/27/95/70/352279570.db2.gz RVMPXFOCRWXNEL-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN c1cc(-c2cnn3c2NCC3)sn1 575469431 352279639 /nfs/dbraw/zinc/27/96/39/352279639.db2.gz YWDAPTSKZMEAMA-UHFFFAOYSA-N 0 0 192.247 1.432 10 0 ADAERN CO[C@H](C)c1nsc(F)n1 575469762 352280034 /nfs/dbraw/zinc/28/00/34/352280034.db2.gz MXQYIIUGDLQKMV-GSVOUGTGSA-N 0 0 162.189 1.385 10 0 ADAERN N#CN[C@@H]1CCCC(F)(F)C1 575469755 352280153 /nfs/dbraw/zinc/28/01/53/352280153.db2.gz LFRZTJXQWPNJEM-ZCFIWIBFSA-N 0 0 160.167 1.635 10 0 ADAERN Cn1cc(N)c(C2(Cl)CC2)n1 575469668 352280169 /nfs/dbraw/zinc/28/01/69/352280169.db2.gz LEKDJRFBIGUELY-UHFFFAOYSA-N 0 0 171.631 1.230 10 0 ADAERN C/C=C(C)\C=C/C(=O)NC 575469725 352280203 /nfs/dbraw/zinc/28/02/03/352280203.db2.gz BJWYQNOCCYFDHR-RNPBPNGMSA-N 0 0 139.198 1.255 10 0 ADAERN Cn1cnc(-c2cn[nH]c(=S)c2)c1 575469748 352280276 /nfs/dbraw/zinc/28/02/76/352280276.db2.gz JRWDFXXPNCWMEN-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN N#CN[C@H]1CCCC(F)(F)C1 575469754 352280355 /nfs/dbraw/zinc/28/03/55/352280355.db2.gz LFRZTJXQWPNJEM-LURJTMIESA-N 0 0 160.167 1.635 10 0 ADAERN CO[C@@H](C)c1nsc(F)n1 575469763 352280400 /nfs/dbraw/zinc/28/04/00/352280400.db2.gz MXQYIIUGDLQKMV-VKHMYHEASA-N 0 0 162.189 1.385 10 0 ADAERN Cn1cncc1-c1cnc(C=O)s1 575469719 352280407 /nfs/dbraw/zinc/28/04/07/352280407.db2.gz ZOQHCYOTTPIXDI-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1c(-c2cnccn2)noc1N 575469722 352280465 /nfs/dbraw/zinc/28/04/65/352280465.db2.gz ATBMLMHFMIDFNE-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Nc1cccc(O[C@H]2CC[C@@H]2O)c1 575469897 352280780 /nfs/dbraw/zinc/28/07/80/352280780.db2.gz HZGPHMOMSPIDRT-UWVGGRQHSA-N 0 0 179.219 1.171 10 0 ADAERN Clc1ccncc1N[C@@H]1CNOC1 575469972 352280805 /nfs/dbraw/zinc/28/08/05/352280805.db2.gz FBOLJGJRUWIJPK-ZCFIWIBFSA-N 0 0 199.641 1.050 10 0 ADAERN NC(=S)[C@H]1CCCSCC1 575469907 352280812 /nfs/dbraw/zinc/28/08/12/352280812.db2.gz IVYYEDFYRSGIAY-LURJTMIESA-N 0 0 175.322 1.806 10 0 ADAERN NC(=S)[C@@H]1CCCSCC1 575469908 352280850 /nfs/dbraw/zinc/28/08/50/352280850.db2.gz IVYYEDFYRSGIAY-ZCFIWIBFSA-N 0 0 175.322 1.806 10 0 ADAERN Nc1cccc(O[C@H]2CC[C@H]2O)c1 575469899 352280875 /nfs/dbraw/zinc/28/08/75/352280875.db2.gz HZGPHMOMSPIDRT-ZJUUUORDSA-N 0 0 179.219 1.171 10 0 ADAERN Cc1nc(N(C)C)nc(F)c1F 575469888 352280928 /nfs/dbraw/zinc/28/09/28/352280928.db2.gz GKHCSOISMHPCPY-UHFFFAOYSA-N 0 0 173.166 1.129 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0 193.231 1.614 10 0 ADAERN c1nscc1NC[C@@H]1CCOC1 575470089 352281631 /nfs/dbraw/zinc/28/16/31/352281631.db2.gz ANJOMYUCJAGXQI-ZETCQYMHSA-N 0 0 184.264 1.592 10 0 ADAERN O=C1CCC[C@H]1C[C@@H]1COCCO1 575470036 352281639 /nfs/dbraw/zinc/28/16/39/352281639.db2.gz AYCMQLMUXBSCBS-DTWKUNHWSA-N 0 0 184.235 1.161 10 0 ADAERN C[C@@H](O)/C=C/c1ccc(N)cc1 575470113 352281676 /nfs/dbraw/zinc/28/16/76/352281676.db2.gz GEDNBBGFLBSTSO-UFUPEUMYSA-N 0 0 163.220 1.663 10 0 ADAERN NC(=S)c1cc(N)ccc1Cl 575470112 352281681 /nfs/dbraw/zinc/28/16/81/352281681.db2.gz CHYFJQKBPUBTLR-UHFFFAOYSA-N 0 0 186.667 1.556 10 0 ADAERN O=C(Cc1ccns1)C(F)F 575470091 352281713 /nfs/dbraw/zinc/28/17/13/352281713.db2.gz FCYBTHYWNBSLEL-UHFFFAOYSA-N 0 0 177.175 1.520 10 0 ADAERN Cc1cnc(Cl)c(NC#N)c1 575470034 352281716 /nfs/dbraw/zinc/28/17/16/352281716.db2.gz ZVYZRPFGCAVXAF-UHFFFAOYSA-N 0 0 167.599 1.936 10 0 ADAERN C[C@H]([NH2+]C1CSC1)C1(Cl)CC1 575470002 352281750 /nfs/dbraw/zinc/28/17/50/352281750.db2.gz QNPYJGXXDOUOEJ-LURJTMIESA-N 0 0 191.727 1.851 10 0 ADAERN C[C@@H]([NH2+]C1CSC1)C1(Cl)CC1 575470004 352281761 /nfs/dbraw/zinc/28/17/61/352281761.db2.gz QNPYJGXXDOUOEJ-ZCFIWIBFSA-N 0 0 191.727 1.851 10 0 ADAERN C[C@H](O)/C=C/c1ccc(N)cc1 575470111 352281786 /nfs/dbraw/zinc/28/17/86/352281786.db2.gz GEDNBBGFLBSTSO-SGJFDWMWSA-N 0 0 163.220 1.663 10 0 ADAERN O=C1CCC[C@H]1C[C@H]1COCCO1 575470037 352281794 /nfs/dbraw/zinc/28/17/94/352281794.db2.gz AYCMQLMUXBSCBS-IUCAKERBSA-N 0 0 184.235 1.161 10 0 ADAERN Fc1cncc(-c2ncc[nH]2)c1 575470227 352282174 /nfs/dbraw/zinc/28/21/74/352282174.db2.gz ZGQROVPGDSUXKE-UHFFFAOYSA-N 0 0 163.155 1.611 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@]12COC[C@H]1C2 575470204 352282242 /nfs/dbraw/zinc/28/22/42/352282242.db2.gz UBFYVGDUHUDDCJ-SZEHBUNVSA-N 0 0 179.219 1.085 10 0 ADAERN CN1CCC[C@@H]1c1nccc(F)n1 575470177 352282281 /nfs/dbraw/zinc/28/22/81/352282281.db2.gz SXUVIFUNKNIQDU-SSDOTTSWSA-N 0 0 181.214 1.382 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@@]12COC[C@@H]1C2 575470201 352282307 /nfs/dbraw/zinc/28/23/07/352282307.db2.gz UBFYVGDUHUDDCJ-SFGNSQDASA-N 0 0 179.219 1.085 10 0 ADAERN CCc1nnc(-c2ccsn2)[nH]1 575470171 352282317 /nfs/dbraw/zinc/28/23/17/352282317.db2.gz QVADFGABVGEOKD-UHFFFAOYSA-N 0 0 180.236 1.491 10 0 ADAERN Cc1cc(F)nc([C@@H]2CCCO2)n1 575470235 352282328 /nfs/dbraw/zinc/28/23/28/352282328.db2.gz TVFMCYOQMGWRFW-ZETCQYMHSA-N 0 0 182.198 1.776 10 0 ADAERN C[C@@H](CF)n1cccc1C=O 575470152 352282402 /nfs/dbraw/zinc/28/24/02/352282402.db2.gz COLBAIIKCUKCPL-ZETCQYMHSA-N 0 0 155.172 1.831 10 0 ADAERN CN1CCC[C@H]1c1nccc(F)n1 575470187 352282412 /nfs/dbraw/zinc/28/24/12/352282412.db2.gz SXUVIFUNKNIQDU-ZETCQYMHSA-N 0 0 181.214 1.382 10 0 ADAERN Cc1cc(F)nc([C@H]2CCCO2)n1 575470230 352282433 /nfs/dbraw/zinc/28/24/33/352282433.db2.gz TVFMCYOQMGWRFW-SSDOTTSWSA-N 0 0 182.198 1.776 10 0 ADAERN Cc1cnc([C@H]2CC(=O)CO2)s1 575470440 352282772 /nfs/dbraw/zinc/28/27/72/352282772.db2.gz AHZBRKANMWYCDZ-SSDOTTSWSA-N 0 0 183.232 1.482 10 0 ADAERN 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ADAERN O=C1CO[C@@]2(CCCSCC2)C1 575470649 352283965 /nfs/dbraw/zinc/28/39/65/352283965.db2.gz ZETWSQCLIGMRHU-SECBINFHSA-N 0 0 186.276 1.632 10 0 ADAERN O=C1CO[C@]2(CCCSCC2)C1 575470650 352284011 /nfs/dbraw/zinc/28/40/11/352284011.db2.gz ZETWSQCLIGMRHU-VIFPVBQESA-N 0 0 186.276 1.632 10 0 ADAERN Cn1cncc1[C@H](N)C(C)(F)F 575470620 352284034 /nfs/dbraw/zinc/28/40/34/352284034.db2.gz PAOBPJKMEUHZJF-LURJTMIESA-N 0 0 175.182 1.075 10 0 ADAERN Fc1cc(N2CC[C@@H](F)C2)ncn1 575470666 352284041 /nfs/dbraw/zinc/28/40/41/352284041.db2.gz AKEWHNJXTNZMMZ-ZCFIWIBFSA-N 0 0 185.177 1.164 10 0 ADAERN Cn1cncc1[C@@H](N)C(C)(F)F 575470621 352284047 /nfs/dbraw/zinc/28/40/47/352284047.db2.gz PAOBPJKMEUHZJF-ZCFIWIBFSA-N 0 0 175.182 1.075 10 0 ADAERN Fc1ccnc(-c2cncnc2)n1 575470658 352284109 /nfs/dbraw/zinc/28/41/09/352284109.db2.gz ZWFXZXOYDCUXFD-UHFFFAOYSA-N 0 0 176.154 1.073 10 0 ADAERN Fc1nccc(N2CC[C@@H](F)C2)n1 575470829 352284880 /nfs/dbraw/zinc/28/48/80/352284880.db2.gz BANDDESVTLPCNE-ZCFIWIBFSA-N 0 0 185.177 1.164 10 0 ADAERN Cn1cnc([C@H]2CCCCO2)c1N 575470879 352284770 /nfs/dbraw/zinc/28/47/70/352284770.db2.gz DEDRAJSGAKCORD-SSDOTTSWSA-N 0 0 181.239 1.244 10 0 ADAERN Cn1ccnc1CNc1cnsc1 575470849 352284830 /nfs/dbraw/zinc/28/48/30/352284830.db2.gz ODOXZRHUAKDZCT-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Cc1ncc(C[C@H]2CO2)s1 575470774 352284842 /nfs/dbraw/zinc/28/48/42/352284842.db2.gz NKYSOWYKDRIWDS-LURJTMIESA-N 0 0 155.222 1.393 10 0 ADAERN Cn1cnc([C@@H]2CCCCO2)c1N 575470880 352284849 /nfs/dbraw/zinc/28/48/49/352284849.db2.gz DEDRAJSGAKCORD-ZETCQYMHSA-N 0 0 181.239 1.244 10 0 ADAERN CSCCn1cc(N)c(C)n1 575470816 352284862 /nfs/dbraw/zinc/28/48/62/352284862.db2.gz ZPZIQNUOBIIQMX-UHFFFAOYSA-N 0 0 171.269 1.137 10 0 ADAERN Cc1cn(Cc2ccns2)c(=O)[nH]1 575470830 352284868 /nfs/dbraw/zinc/28/48/68/352284868.db2.gz BBINWQMAWHPTTH-UHFFFAOYSA-N 0 0 195.247 1.402 10 0 ADAERN N#CNc1ccnc(Br)c1 575470811 352284869 /nfs/dbraw/zinc/28/48/69/352284869.db2.gz ZAWBOFZSOQIMQZ-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN Oc1ccc(NC2COC2)c(Cl)c1 575470869 352284872 /nfs/dbraw/zinc/28/48/72/352284872.db2.gz ZBKSNWQICNSSGU-UHFFFAOYSA-N 0 0 199.637 1.856 10 0 ADAERN C[N@@H+]1CC[C@H](c2nc(=S)o[n-]2)C1 575470777 352284910 /nfs/dbraw/zinc/28/49/10/352284910.db2.gz NPDASTNJMPUKLZ-YFKPBYRVSA-N 0 0 185.252 1.151 10 0 ADAERN Cc1ncc(C[C@@H]2CO2)s1 575470775 352284915 /nfs/dbraw/zinc/28/49/15/352284915.db2.gz NKYSOWYKDRIWDS-ZCFIWIBFSA-N 0 0 155.222 1.393 10 0 ADAERN Fc1nccc(N2CC[C@H](F)C2)n1 575470828 352284917 /nfs/dbraw/zinc/28/49/17/352284917.db2.gz BANDDESVTLPCNE-LURJTMIESA-N 0 0 185.177 1.164 10 0 ADAERN C[N@@H+]1CC[C@@H](c2nc(=S)o[n-]2)C1 575470776 352284930 /nfs/dbraw/zinc/28/49/30/352284930.db2.gz NPDASTNJMPUKLZ-RXMQYKEDSA-N 0 0 185.252 1.151 10 0 ADAERN Fc1nccnc1C(F)F 575470893 352284955 /nfs/dbraw/zinc/28/49/55/352284955.db2.gz HIOSVIDCHSXLED-UHFFFAOYSA-N 0 0 148.087 1.553 10 0 ADAERN C[C@H]1OCC(=O)[C@@H]1Cc1ccns1 575470945 352285327 /nfs/dbraw/zinc/28/53/27/352285327.db2.gz QDLAMQHMGQMRRP-HTRCEHHLSA-N 0 0 197.259 1.290 10 0 ADAERN N[C@H](c1cncs1)C(F)(F)F 575471103 352285333 /nfs/dbraw/zinc/28/53/33/352285333.db2.gz CJTKHXDYQBHUNW-SCSAIBSYSA-N 0 0 182.170 1.705 10 0 ADAERN Cc1cc(F)nc(CN2CCC2)n1 575471106 352285366 /nfs/dbraw/zinc/28/53/66/352285366.db2.gz DZLNSJBDKBECHO-UHFFFAOYSA-N 0 0 181.214 1.130 10 0 ADAERN Cc1csc([C@H]2CC(=O)CO2)n1 575470997 352285378 /nfs/dbraw/zinc/28/53/78/352285378.db2.gz YLYFQAUXSCMUBJ-SSDOTTSWSA-N 0 0 183.232 1.482 10 0 ADAERN Fc1cnccc1NCC1CSC1 575471069 352285405 /nfs/dbraw/zinc/28/54/05/352285405.db2.gz UJMAXCOEXLUQEP-UHFFFAOYSA-N 0 0 198.266 1.418 10 0 ADAERN Cn1cncc1-c1cncnc1Cl 575470980 352285449 /nfs/dbraw/zinc/28/54/49/352285449.db2.gz WGHUNFBQUNMZAD-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN O=c1ccc(-c2nc(O)cs2)c[nH]1 575471100 352285487 /nfs/dbraw/zinc/28/54/87/352285487.db2.gz CCFVXNKQNMEZBC-UHFFFAOYSA-N 0 0 194.215 1.616 10 0 ADAERN N[C@@H](c1cncs1)C(F)(F)F 575471102 352285574 /nfs/dbraw/zinc/28/55/74/352285574.db2.gz CJTKHXDYQBHUNW-BYPYZUCNSA-N 0 0 182.170 1.705 10 0 ADAERN C[C@@H]1OCC(=O)[C@H]1Cc1ccns1 575470948 352285517 /nfs/dbraw/zinc/28/55/17/352285517.db2.gz QDLAMQHMGQMRRP-XPUUQOCRSA-N 0 0 197.259 1.290 10 0 ADAERN Cc1cnc(-c2noc(Cl)n2)cn1 575471028 352285532 /nfs/dbraw/zinc/28/55/32/352285532.db2.gz HACVAWXGWAJUQF-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN C[C@H]1OCC(=O)[C@H]1Cc1ccns1 575470947 352285570 /nfs/dbraw/zinc/28/55/70/352285570.db2.gz QDLAMQHMGQMRRP-SVRRBLITSA-N 0 0 197.259 1.290 10 0 ADAERN Cc1csc([C@@H]2CC(=O)CO2)n1 575470998 352285582 /nfs/dbraw/zinc/28/55/82/352285582.db2.gz YLYFQAUXSCMUBJ-ZETCQYMHSA-N 0 0 183.232 1.482 10 0 ADAERN C[C@@H]1OCC(=O)[C@@H]1Cc1ccns1 575470946 352285624 /nfs/dbraw/zinc/28/56/24/352285624.db2.gz QDLAMQHMGQMRRP-POYBYMJQSA-N 0 0 197.259 1.290 10 0 ADAERN Cn1cncc1-c1ccnc(Cl)n1 575470959 352285630 /nfs/dbraw/zinc/28/56/30/352285630.db2.gz ROXFFRBJBPNHAF-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cc1c(-c2cncs2)nc[nH]c1=O 575471236 352285808 /nfs/dbraw/zinc/28/58/08/352285808.db2.gz AXEKAWJXRRDCDA-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN c1cnc(NCc2ccsn2)nc1 575471148 352285827 /nfs/dbraw/zinc/28/58/27/352285827.db2.gz OJYVHCDPTAALOX-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CC(C)=CCn1cc(C)[nH]c1=O 575471108 352285893 /nfs/dbraw/zinc/28/58/93/352285893.db2.gz FQAINDOGZCONNC-UHFFFAOYSA-N 0 0 166.224 1.863 10 0 ADAERN C[C@H](CF)Nc1ccn(C)c(=O)c1 575471166 352285938 /nfs/dbraw/zinc/28/59/38/352285938.db2.gz RNDKBMVDHPLTGT-SSDOTTSWSA-N 0 0 184.214 1.155 10 0 ADAERN C[C@@H](CF)Nc1ccn(C)c(=O)c1 575471167 352286034 /nfs/dbraw/zinc/28/60/34/352286034.db2.gz RNDKBMVDHPLTGT-ZETCQYMHSA-N 0 0 184.214 1.155 10 0 ADAERN Clc1cncc([C@@H]2CO2)c1 575471268 352286093 /nfs/dbraw/zinc/28/60/93/352286093.db2.gz KHWJFKNWBBZMJO-ZETCQYMHSA-N 0 0 155.584 1.806 10 0 ADAERN c1c(C[C@@H]2CO2)nc2n1CCCC2 575471172 352286225 /nfs/dbraw/zinc/28/62/25/352286225.db2.gz TXJFMOUVYYCLHB-SECBINFHSA-N 0 0 178.235 1.161 10 0 ADAERN c1c(C[C@H]2CO2)nc2n1CCCC2 575471173 352286244 /nfs/dbraw/zinc/28/62/44/352286244.db2.gz TXJFMOUVYYCLHB-VIFPVBQESA-N 0 0 178.235 1.161 10 0 ADAERN Clc1cncc([C@H]2CO2)c1 575471267 352286264 /nfs/dbraw/zinc/28/62/64/352286264.db2.gz KHWJFKNWBBZMJO-SSDOTTSWSA-N 0 0 155.584 1.806 10 0 ADAERN C[C@@H]1OCC(=O)[C@H]1C[C@@H]1CC1(F)F 575471544 352286650 /nfs/dbraw/zinc/28/66/50/352286650.db2.gz MKFLBYDNAKUQJG-XVMARJQXSA-N 0 0 190.189 1.636 10 0 ADAERN Cc1csc([C@]2(C)COC(=O)N2)n1 575471300 352286495 /nfs/dbraw/zinc/28/64/95/352286495.db2.gz PWKMOQYXIRPZTR-QMMMGPOBSA-N 0 0 198.247 1.407 10 0 ADAERN COc1cncc([C@@H]2NCCS2)c1 575471345 352286517 /nfs/dbraw/zinc/28/65/17/352286517.db2.gz ZEIIOZPJIABTQO-SECBINFHSA-N 0 0 196.275 1.425 10 0 ADAERN Cc1csc([C@@]2(C)COC(=O)N2)n1 575471298 352286553 /nfs/dbraw/zinc/28/65/53/352286553.db2.gz PWKMOQYXIRPZTR-MRVPVSSYSA-N 0 0 198.247 1.407 10 0 ADAERN C[C@@H]1OCC(=O)[C@@H]1C[C@@H]1CC1(F)F 575471543 352286571 /nfs/dbraw/zinc/28/65/71/352286571.db2.gz MKFLBYDNAKUQJG-RRKCRQDMSA-N 0 0 190.189 1.636 10 0 ADAERN Fc1cncc(N2C[C@H]3C[C@H]3C2)n1 575471613 352286595 /nfs/dbraw/zinc/28/65/95/352286595.db2.gz GGBJRGHRKCCCOL-KNVOCYPGSA-N 0 0 179.198 1.072 10 0 ADAERN Cc1cnc(F)nc1N1CCCC1 575471349 352286610 /nfs/dbraw/zinc/28/66/10/352286610.db2.gz ZSHDFJOGVGGTFX-UHFFFAOYSA-N 0 0 181.214 1.524 10 0 ADAERN COc1cncc([C@H]2NCCS2)c1 575471346 352286620 /nfs/dbraw/zinc/28/66/20/352286620.db2.gz ZEIIOZPJIABTQO-VIFPVBQESA-N 0 0 196.275 1.425 10 0 ADAERN O=C1CSC[C@H]1Cc1ccns1 575471342 352286662 /nfs/dbraw/zinc/28/66/62/352286662.db2.gz WZKWZPOYTYTMIH-ZCFIWIBFSA-N 0 0 199.300 1.618 10 0 ADAERN O=C1CSC[C@@H]1Cc1ccns1 575471336 352286694 /nfs/dbraw/zinc/28/66/94/352286694.db2.gz WZKWZPOYTYTMIH-LURJTMIESA-N 0 0 199.300 1.618 10 0 ADAERN C[C@@H]1OCC(=O)[C@H]1C[C@H]1CC1(F)F 575471541 352286728 /nfs/dbraw/zinc/28/67/28/352286728.db2.gz MKFLBYDNAKUQJG-ACZMJKKPSA-N 0 0 190.189 1.636 10 0 ADAERN C[C@@H]1OCC(=O)[C@@H]1C[C@H]1CC1(F)F 575471542 352286823 /nfs/dbraw/zinc/28/68/23/352286823.db2.gz MKFLBYDNAKUQJG-LYFYHCNISA-N 0 0 190.189 1.636 10 0 ADAERN N[C@@H](c1cccnn1)c1cccs1 575471759 352287167 /nfs/dbraw/zinc/28/71/67/352287167.db2.gz GPKRDUDEAJKPEU-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN N#CNc1ccnc(Cl)c1 575471747 352287420 /nfs/dbraw/zinc/28/74/20/352287420.db2.gz CMBIRNLOXFIAOU-UHFFFAOYSA-N 0 0 153.572 1.628 10 0 ADAERN N[C@H](c1cccnn1)c1cccs1 575471758 352287468 /nfs/dbraw/zinc/28/74/68/352287468.db2.gz GPKRDUDEAJKPEU-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN C=Cc1nc(C)nc(Cl)n1 575471693 352287696 /nfs/dbraw/zinc/28/76/96/352287696.db2.gz PDUBRZBMXZLGNR-UHFFFAOYSA-N 0 0 155.588 1.476 10 0 ADAERN CSCc1nc(F)c(F)c(F)n1 575471736 352287706 /nfs/dbraw/zinc/28/77/06/352287706.db2.gz AEAZIGAQNWOYHZ-UHFFFAOYSA-N 0 0 194.181 1.757 10 0 ADAERN CC(=O)Cc1ncc(Cl)n1C 575471907 352287952 /nfs/dbraw/zinc/28/79/52/352287952.db2.gz UUWHFXQHFPYYHG-UHFFFAOYSA-N 0 0 172.615 1.205 10 0 ADAERN NC(=S)Nc1cccc2c1CCO2 575471864 352287907 /nfs/dbraw/zinc/28/79/07/352287907.db2.gz PXYRZGVPKFTIDW-UHFFFAOYSA-N 0 0 194.259 1.277 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cc[nH]c(=O)c1N 575471850 352287916 /nfs/dbraw/zinc/28/79/16/352287916.db2.gz OYKCPGBHLJZDKR-IYSWYEEDSA-N 0 0 179.223 1.190 10 0 ADAERN Cc1nc([C@@H]2CC2(C)C)c(N)n1N 575471914 352287948 /nfs/dbraw/zinc/28/79/48/352287948.db2.gz VJGNRLNKDIZBDG-LURJTMIESA-N 0 0 180.255 1.001 10 0 ADAERN Cn1cnc(-c2cc(N)ccn2)c1 575471800 352287982 /nfs/dbraw/zinc/28/79/82/352287982.db2.gz LJKXUBGFQPIOOX-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cc[nH]c(=O)c1N 575471849 352288011 /nfs/dbraw/zinc/28/80/11/352288011.db2.gz OYKCPGBHLJZDKR-FSPLSTOPSA-N 0 0 179.223 1.190 10 0 ADAERN C[C@H]1C[C@H]1Nc1cc[nH]c(=O)c1N 575471848 352288042 /nfs/dbraw/zinc/28/80/42/352288042.db2.gz OYKCPGBHLJZDKR-CAHLUQPWSA-N 0 0 179.223 1.190 10 0 ADAERN Cc1nc([C@H]2CC2(C)C)c(N)n1N 575471915 352288146 /nfs/dbraw/zinc/28/81/46/352288146.db2.gz VJGNRLNKDIZBDG-ZCFIWIBFSA-N 0 0 180.255 1.001 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cc[nH]c(=O)c1N 575471852 352288264 /nfs/dbraw/zinc/28/82/64/352288264.db2.gz OYKCPGBHLJZDKR-VDTYLAMSSA-N 0 0 179.223 1.190 10 0 ADAERN Cc1cn(Cc2ccco2)c(=O)[nH]1 575471920 352288644 /nfs/dbraw/zinc/28/86/44/352288644.db2.gz WFOIIRGCIPHOEV-UHFFFAOYSA-N 0 0 178.191 1.538 10 0 ADAERN Cn1cc(N[C@H]2C=CCCC2)nn1 575471952 352288726 /nfs/dbraw/zinc/28/87/26/352288726.db2.gz MIXCAQOFRYELMO-QMMMGPOBSA-N 0 0 178.239 1.336 10 0 ADAERN Cn1nccc1-c1cn[nH]c(=S)c1 575471977 352288752 /nfs/dbraw/zinc/28/87/52/352288752.db2.gz SVRCGWWQWMQPJE-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN C[C@H]1CCN1c1ncccc1N 575472027 352288774 /nfs/dbraw/zinc/28/87/74/352288774.db2.gz NEDWJEMEAPCBIL-ZETCQYMHSA-N 0 0 163.224 1.262 10 0 ADAERN Cn1cc(N[C@@H]2C=CCCC2)nn1 575471951 352288896 /nfs/dbraw/zinc/28/88/96/352288896.db2.gz MIXCAQOFRYELMO-MRVPVSSYSA-N 0 0 178.239 1.336 10 0 ADAERN Cc1nnsc1-c1nccc(F)n1 575472053 352288925 /nfs/dbraw/zinc/28/89/25/352288925.db2.gz CDFABMXFCRSBHV-UHFFFAOYSA-N 0 0 196.210 1.443 10 0 ADAERN COC(=O)Nc1cc(C)cc(O)c1 575471922 352289050 /nfs/dbraw/zinc/28/90/50/352289050.db2.gz XBMCSLBJAPKIJS-UHFFFAOYSA-N 0 0 181.191 1.879 10 0 ADAERN Fc1ccnc(-c2ccoc2)n1 575472100 352289442 /nfs/dbraw/zinc/28/94/42/352289442.db2.gz QJRQZXAXXZYNOR-UHFFFAOYSA-N 0 0 164.139 1.876 10 0 ADAERN O=C([O-])C1=CC[C@H]([NH+]2CC=CC2)C1 575472117 352289358 /nfs/dbraw/zinc/28/93/58/352289358.db2.gz YCRZIGHMUKRUPB-VIFPVBQESA-N 0 0 179.219 1.032 10 0 ADAERN O=Cc1cnn([C@H]2C=CCCC2)c1 575472096 352289385 /nfs/dbraw/zinc/28/93/85/352289385.db2.gz QDOJIJCFFXVSLO-JTQLQIEISA-N 0 0 176.219 1.977 10 0 ADAERN O=Cc1cnn([C@@H]2C=CCCC2)c1 575472097 352289406 /nfs/dbraw/zinc/28/94/06/352289406.db2.gz QDOJIJCFFXVSLO-SNVBAGLBSA-N 0 0 176.219 1.977 10 0 ADAERN Cc1c[nH]c([C@H](O)C2CCCC2)n1 575472104 352289414 /nfs/dbraw/zinc/28/94/14/352289414.db2.gz RTYCUDKFKAMBDN-SECBINFHSA-N 0 0 180.251 1.942 10 0 ADAERN O=C([O-])C1=CC[C@@H]([NH+]2CC=CC2)C1 575472116 352289450 /nfs/dbraw/zinc/28/94/50/352289450.db2.gz YCRZIGHMUKRUPB-SECBINFHSA-N 0 0 179.219 1.032 10 0 ADAERN C[C@@](O)(c1ccc[nH]1)C1(Cl)CC1 575472248 352289480 /nfs/dbraw/zinc/28/94/80/352289480.db2.gz PYXZFSIXAROGMD-MRVPVSSYSA-N 0 0 185.654 1.994 10 0 ADAERN Cc1ccccc1N[C@@H]1CC[C@H]1O 575472095 352289514 /nfs/dbraw/zinc/28/95/14/352289514.db2.gz QDGJQYSZIWCDNJ-GHMZBOCLSA-N 0 0 177.247 1.930 10 0 ADAERN C[C@](O)(c1ccc[nH]1)C1(Cl)CC1 575472249 352289550 /nfs/dbraw/zinc/28/95/50/352289550.db2.gz PYXZFSIXAROGMD-QMMMGPOBSA-N 0 0 185.654 1.994 10 0 ADAERN CN(C)c1nc(F)c2c(n1)CSC2 575472101 352289671 /nfs/dbraw/zinc/28/96/71/352289671.db2.gz QMZMRBWNYPMOTP-UHFFFAOYSA-N 0 0 199.254 1.429 10 0 ADAERN Cc1c[nH]c([C@@H](O)C2CCCC2)n1 575472105 352289699 /nfs/dbraw/zinc/28/96/99/352289699.db2.gz RTYCUDKFKAMBDN-VIFPVBQESA-N 0 0 180.251 1.942 10 0 ADAERN Cc1cc([C@H](O)C(F)F)c(C)[nH]1 575472350 352290016 /nfs/dbraw/zinc/29/00/16/352290016.db2.gz YXLBVESHRYMJHZ-ZETCQYMHSA-N 0 0 175.178 1.930 10 0 ADAERN CN[C@@H](c1cncs1)C(F)F 575472357 352290038 /nfs/dbraw/zinc/29/00/38/352290038.db2.gz AWECZJBJRXOJKZ-YFKPBYRVSA-N 0 0 178.207 1.669 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2cnsc2)n1 575472334 352290068 /nfs/dbraw/zinc/29/00/68/352290068.db2.gz VUJWXUJCOROIBM-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN C/C=C/[C@H](O)c1ncccc1N 575472258 352290234 /nfs/dbraw/zinc/29/02/34/352290234.db2.gz JSOBWKAPHCYTPY-KHVHVRLGSA-N 0 0 164.208 1.273 10 0 ADAERN CN[C@H](c1cncs1)C(F)F 575472356 352290273 /nfs/dbraw/zinc/29/02/73/352290273.db2.gz AWECZJBJRXOJKZ-RXMQYKEDSA-N 0 0 178.207 1.669 10 0 ADAERN Cc1c[nH]c(CNc2cnsc2)n1 575472321 352290292 /nfs/dbraw/zinc/29/02/92/352290292.db2.gz REHYDTWOLBFREY-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN Cc1c[nH]c([C@H](O)c2cnsc2)n1 575472333 352290411 /nfs/dbraw/zinc/29/04/11/352290411.db2.gz VUJWXUJCOROIBM-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1cc([C@@H](O)C(F)F)c(C)[nH]1 575472349 352290417 /nfs/dbraw/zinc/29/04/17/352290417.db2.gz YXLBVESHRYMJHZ-SSDOTTSWSA-N 0 0 175.178 1.930 10 0 ADAERN C/C=C/[C@@H](O)c1ncccc1N 575472257 352290486 /nfs/dbraw/zinc/29/04/86/352290486.db2.gz JSOBWKAPHCYTPY-BYDTYLDUSA-N 0 0 164.208 1.273 10 0 ADAERN Cn1c([C@@H]2CCCC2=O)cnc1Cl 575472508 352290767 /nfs/dbraw/zinc/29/07/67/352290767.db2.gz MZQZHXAVCVVGMT-LURJTMIESA-N 0 0 198.653 1.910 10 0 ADAERN CN1CCC[C@H]1c1nccc(=S)[nH]1 575472415 352290872 /nfs/dbraw/zinc/29/08/72/352290872.db2.gz CHLGJKUQXRUCMM-ZETCQYMHSA-N 0 0 195.291 1.532 10 0 ADAERN CC[C@@H](O)c1ncccc1N 575472434 352291098 /nfs/dbraw/zinc/29/10/98/352291098.db2.gz PHVAXPWRHGWZRA-SSDOTTSWSA-N 0 0 152.197 1.107 10 0 ADAERN CC(=O)C1(CC(C)(C)O)CC1 575472614 352291169 /nfs/dbraw/zinc/29/11/69/352291169.db2.gz CMZYXPFPFOYGEP-UHFFFAOYSA-N 0 0 156.225 1.517 10 0 ADAERN CN1CCC[C@@H]1c1nccc(=S)[nH]1 575472414 352291172 /nfs/dbraw/zinc/29/11/72/352291172.db2.gz CHLGJKUQXRUCMM-SSDOTTSWSA-N 0 0 195.291 1.532 10 0 ADAERN CC[C@H](O)c1ncccc1N 575472435 352291185 /nfs/dbraw/zinc/29/11/85/352291185.db2.gz PHVAXPWRHGWZRA-ZETCQYMHSA-N 0 0 152.197 1.107 10 0 ADAERN Cn1c([C@H]2CCCC2=O)cnc1Cl 575472509 352291210 /nfs/dbraw/zinc/29/12/10/352291210.db2.gz MZQZHXAVCVVGMT-ZCFIWIBFSA-N 0 0 198.653 1.910 10 0 ADAERN COC(C)(C)c1ccc(NN)cc1 575472458 352291229 /nfs/dbraw/zinc/29/12/29/352291229.db2.gz VAZQXBOREUQJRG-UHFFFAOYSA-N 0 0 180.251 1.854 10 0 ADAERN CC(=O)c1csc(N2CC[C@@H]2C)n1 575474298 352291455 /nfs/dbraw/zinc/29/14/55/352291455.db2.gz KIGDOWOZPIGKJP-LURJTMIESA-N 0 0 196.275 1.944 10 0 ADAERN Cn1nncc1C1CCC(=O)CC1 575474492 352291538 /nfs/dbraw/zinc/29/15/38/352291538.db2.gz JFROAGFOYXUGRP-UHFFFAOYSA-N 0 0 179.223 1.042 10 0 ADAERN CC(=O)c1csc(N2CC[C@H]2C)n1 575474299 352291919 /nfs/dbraw/zinc/29/19/19/352291919.db2.gz KIGDOWOZPIGKJP-ZCFIWIBFSA-N 0 0 196.275 1.944 10 0 ADAERN CC(=O)c1csc(N2CC(C)C2)n1 575474296 352291924 /nfs/dbraw/zinc/29/19/24/352291924.db2.gz JQIUSCXAVYYEBB-UHFFFAOYSA-N 0 0 196.275 1.802 10 0 ADAERN Cn1cnc(C2CCC(=O)CC2)c1 575475390 352292411 /nfs/dbraw/zinc/29/24/11/352292411.db2.gz DYZUAWYJCWPQKX-UHFFFAOYSA-N 0 0 178.235 1.647 10 0 ADAERN Cn1cc(C2CCC(=O)CC2)nn1 575475424 352292419 /nfs/dbraw/zinc/29/24/19/352292419.db2.gz MBBRHCWCLQPITG-UHFFFAOYSA-N 0 0 179.223 1.042 10 0 ADAERN Cn1ccc(C2CCC(=O)CC2)n1 575475520 352292459 /nfs/dbraw/zinc/29/24/59/352292459.db2.gz WVVNWZSAVHHVTI-UHFFFAOYSA-N 0 0 178.235 1.647 10 0 ADAERN Cn1ncc(C2CCC(=O)CC2)n1 575475469 352292548 /nfs/dbraw/zinc/29/25/48/352292548.db2.gz QYPGHMHASSEZEU-UHFFFAOYSA-N 0 0 179.223 1.042 10 0 ADAERN CC(F)(F)CNC1CSC1 575476162 352293886 /nfs/dbraw/zinc/29/38/86/352293886.db2.gz LDHTVEUQUIIOJB-UHFFFAOYSA-N 0 0 167.224 1.347 10 0 ADAERN C/C(C(=O)[O-])=C1\C[N@@H+](C)C(C)(C)C1 575478297 352294685 /nfs/dbraw/zinc/29/46/85/352294685.db2.gz APYGCNKFWMYYPU-BQYQJAHWSA-N 0 0 183.251 1.502 10 0 ADAERN N[C@@H](C[NH3+])c1cc2cscc2s1 575478326 352294723 /nfs/dbraw/zinc/29/47/23/352294723.db2.gz BINLKAYADWRUKZ-LURJTMIESA-N 0 0 198.316 1.921 10 0 ADAERN CO[C@@]1(C)C[C@@H]1Nc1ncccn1 575478335 352294757 /nfs/dbraw/zinc/29/47/57/352294757.db2.gz BKVYRDZABXKOML-CBAPKCEASA-N 0 0 179.223 1.066 10 0 ADAERN CO[C@]1(C)C[C@@H]1Nc1ncccn1 575478336 352294799 /nfs/dbraw/zinc/29/47/99/352294799.db2.gz BKVYRDZABXKOML-IONNQARKSA-N 0 0 179.223 1.066 10 0 ADAERN O=C1Nc2c(ccc(F)c2Cl)C1=O 575478256 352294823 /nfs/dbraw/zinc/29/48/23/352294823.db2.gz UIJAREZEVBOFCZ-UHFFFAOYSA-N 0 0 199.568 1.614 10 0 ADAERN N[C@H](C[NH3+])c1cc2cscc2s1 575478327 352294874 /nfs/dbraw/zinc/29/48/74/352294874.db2.gz BINLKAYADWRUKZ-ZCFIWIBFSA-N 0 0 198.316 1.921 10 0 ADAERN C/C(C(=O)[O-])=C1/C[N@@H+](C)C(C)(C)C1 575478298 352294902 /nfs/dbraw/zinc/29/49/02/352294902.db2.gz APYGCNKFWMYYPU-FPLPWBNLSA-N 0 0 183.251 1.502 10 0 ADAERN CO[C@]1(C)C[C@H]1Nc1ncccn1 575478337 352294953 /nfs/dbraw/zinc/29/49/53/352294953.db2.gz BKVYRDZABXKOML-VXNVDRBHSA-N 0 0 179.223 1.066 10 0 ADAERN C[N@@H+]1C/C(=C\C(=O)[O-])CC1(C)C 575478472 352295399 /nfs/dbraw/zinc/29/53/99/352295399.db2.gz GSCPQBSJIVDJOL-DAXSKMNVSA-N 0 0 169.224 1.112 10 0 ADAERN CO[C@]1(C)C[C@H]1Nc1ccncn1 575478405 352295425 /nfs/dbraw/zinc/29/54/25/352295425.db2.gz DAFSEZHDGRFWET-VXNVDRBHSA-N 0 0 179.223 1.066 10 0 ADAERN CO[C@]1(C)C[C@@H]1Nc1ccncn1 575478404 352295428 /nfs/dbraw/zinc/29/54/28/352295428.db2.gz DAFSEZHDGRFWET-IONNQARKSA-N 0 0 179.223 1.066 10 0 ADAERN C[N@@H+]1C/C(=C(/F)C(=O)[O-])CC1(C)C 575478443 352295448 /nfs/dbraw/zinc/29/54/48/352295448.db2.gz GARJWQYWMIAIBQ-VOTSOKGWSA-N 0 0 187.214 1.409 10 0 ADAERN CO[C@@]1(C)C[C@@H]1Nc1ccncn1 575478403 352295478 /nfs/dbraw/zinc/29/54/78/352295478.db2.gz DAFSEZHDGRFWET-CBAPKCEASA-N 0 0 179.223 1.066 10 0 ADAERN C[N@@H+]1C[C@@H]([C@@H](F)C(=O)[O-])CC1(C)C 575478464 352295484 /nfs/dbraw/zinc/29/54/84/352295484.db2.gz GNRFLESPFOKKGS-NKWVEPMBSA-N 0 0 189.230 1.139 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H]1C[N@H+](C)C(C)(C)C1 575478534 352295841 /nfs/dbraw/zinc/29/58/41/352295841.db2.gz HIIGVCOKBTXMSR-YUMQZZPRSA-N 0 0 185.267 1.437 10 0 ADAERN O=C1NCCN1[C@@]12CCCC[C@@H]1C2 575478570 352295924 /nfs/dbraw/zinc/29/59/24/352295924.db2.gz BQCABCUISOKZAS-PSASIEDQSA-N 0 0 180.251 1.344 10 0 ADAERN CC(=O)NC[C@]12CCCC[C@H]1C2 575478554 352295959 /nfs/dbraw/zinc/29/59/59/352295959.db2.gz BHIHZHZNHOJOQJ-VHSXEESVSA-N 0 0 167.252 1.703 10 0 ADAERN CNC(=S)N(C)CC1(C)CC1 575478590 352296021 /nfs/dbraw/zinc/29/60/21/352296021.db2.gz BSIMGTPSESPJLN-UHFFFAOYSA-N 0 0 172.297 1.223 10 0 ADAERN CC[C@@H]1C(=O)Nc2ccsc2C1=O 575478592 352296035 /nfs/dbraw/zinc/29/60/35/352296035.db2.gz BTIOZDHKCMWFOM-YFKPBYRVSA-N 0 0 195.243 1.909 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]1C[N@H+](C)C(C)(C)C1 575478533 352296068 /nfs/dbraw/zinc/29/60/68/352296068.db2.gz HIIGVCOKBTXMSR-SFYZADRCSA-N 0 0 185.267 1.437 10 0 ADAERN O=C1NCCN1[C@]12CCCC[C@H]1C2 575478579 352296081 /nfs/dbraw/zinc/29/60/81/352296081.db2.gz BQCABCUISOKZAS-WPRPVWTQSA-N 0 0 180.251 1.344 10 0 ADAERN CC[C@H]1C(=O)Nc2ccsc2C1=O 575478591 352296208 /nfs/dbraw/zinc/29/62/08/352296208.db2.gz BTIOZDHKCMWFOM-RXMQYKEDSA-N 0 0 195.243 1.909 10 0 ADAERN CC(F)(F)CNc1ncccc1N 575478529 352296178 /nfs/dbraw/zinc/29/61/78/352296178.db2.gz BDAAOLQXGLXFCQ-UHFFFAOYSA-N 0 0 187.193 1.731 10 0 ADAERN CC(=O)NC[C@@]12CCCC[C@@H]1C2 575478556 352296203 /nfs/dbraw/zinc/29/62/03/352296203.db2.gz BHIHZHZNHOJOQJ-ZJUUUORDSA-N 0 0 167.252 1.703 10 0 ADAERN Cn1nncc1N[C@]12CCC[C@H]1C2 575478541 352296217 /nfs/dbraw/zinc/29/62/17/352296217.db2.gz BFCBBEPWAKCDAA-CBAPKCEASA-N 0 0 178.239 1.170 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H]1C[N@H+](C)C(C)(C)C1 575478515 352296224 /nfs/dbraw/zinc/29/62/24/352296224.db2.gz HIIGVCOKBTXMSR-HTQZYQBOSA-N 0 0 185.267 1.437 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1C[N@H+](C)C(C)(C)C1 575478532 352296241 /nfs/dbraw/zinc/29/62/41/352296241.db2.gz HIIGVCOKBTXMSR-JGVFFNPUSA-N 0 0 185.267 1.437 10 0 ADAERN Cn1nncc1N[C@@]12CCC[C@@H]1C2 575478543 352296246 /nfs/dbraw/zinc/29/62/46/352296246.db2.gz BFCBBEPWAKCDAA-VXNVDRBHSA-N 0 0 178.239 1.170 10 0 ADAERN CC(F)(F)CNc1cn[nH]c(=O)c1 575478763 352296758 /nfs/dbraw/zinc/29/67/58/352296758.db2.gz AOMGMAPPAHSGDS-UHFFFAOYSA-N 0 0 189.165 1.249 10 0 ADAERN Cc1csc(-n2cc(N)c(C)n2)n1 575478749 352296859 /nfs/dbraw/zinc/29/68/59/352296859.db2.gz BLRIABYDVGZONP-UHFFFAOYSA-N 0 0 194.263 1.528 10 0 ADAERN CC(F)(F)CNc1cccnc1N 575478655 352296880 /nfs/dbraw/zinc/29/68/80/352296880.db2.gz CJRLBHRJCJXZHX-UHFFFAOYSA-N 0 0 187.193 1.731 10 0 ADAERN CCNC(=O)N[C@@]12CCCC[C@@H]1C2 575478822 352297205 /nfs/dbraw/zinc/29/72/05/352297205.db2.gz CMOHBXPJDAZHBF-PSASIEDQSA-N 0 0 182.267 1.638 10 0 ADAERN CNC(=S)NC[C@H]1C[C@@H]2C[C@@H]2C1 575478782 352297210 /nfs/dbraw/zinc/29/72/10/352297210.db2.gz CODBRPLOCAIFJX-RNLVFQAGSA-N 0 0 184.308 1.126 10 0 ADAERN CCNC(=O)N[C@]12CCCC[C@H]1C2 575478832 352297449 /nfs/dbraw/zinc/29/74/49/352297449.db2.gz CMOHBXPJDAZHBF-WPRPVWTQSA-N 0 0 182.267 1.638 10 0 ADAERN CC(=O)NC[C@@]12CCC[C@@H]1C2 575478796 352297454 /nfs/dbraw/zinc/29/74/54/352297454.db2.gz CMMKEBUFNQWWNP-BDAKNGLRSA-N 0 0 153.225 1.313 10 0 ADAERN CC(=O)NC[C@]12CCC[C@H]1C2 575478813 352297543 /nfs/dbraw/zinc/29/75/43/352297543.db2.gz CMMKEBUFNQWWNP-DTWKUNHWSA-N 0 0 153.225 1.313 10 0 ADAERN CC(F)(F)CN1CCC(=O)CC1 575478938 352297965 /nfs/dbraw/zinc/29/79/65/352297965.db2.gz BIDMDRZIHWLGNX-UHFFFAOYSA-N 0 0 177.194 1.307 10 0 ADAERN N#CNC[C@@]12CCCC[C@@H]1C2 575478894 352298151 /nfs/dbraw/zinc/29/81/51/352298151.db2.gz DCANROSVWLUCFM-BDAKNGLRSA-N 0 0 150.225 1.637 10 0 ADAERN N#CNC[C@]12CCCC[C@H]1C2 575478899 352298161 /nfs/dbraw/zinc/29/81/61/352298161.db2.gz DCANROSVWLUCFM-DTWKUNHWSA-N 0 0 150.225 1.637 10 0 ADAERN NC(=S)C[C@@H]1C[C@H]2C[C@H]2C1 575479096 352298534 /nfs/dbraw/zinc/29/85/34/352298534.db2.gz RHMFMSNTIVUIPC-KVSKUHBBSA-N 0 0 155.266 1.709 10 0 ADAERN CC[C@@H](O)c1ccc(N)cn1 575479042 352298598 /nfs/dbraw/zinc/29/85/98/352298598.db2.gz NODSSZPZRMKSQB-MRVPVSSYSA-N 0 0 152.197 1.107 10 0 ADAERN NC(=S)NC[C@@]12CCCC[C@@H]1C2 575479054 352298726 /nfs/dbraw/zinc/29/87/26/352298726.db2.gz DUNDUPHYRBYQTL-APPZFPTMSA-N 0 0 184.308 1.400 10 0 ADAERN CC[C@H](O)c1ccc(N)cn1 575479044 352298776 /nfs/dbraw/zinc/29/87/76/352298776.db2.gz NODSSZPZRMKSQB-QMMMGPOBSA-N 0 0 152.197 1.107 10 0 ADAERN NC(=S)NC[C@]12CCCC[C@H]1C2 575479063 352298875 /nfs/dbraw/zinc/29/88/75/352298875.db2.gz DUNDUPHYRBYQTL-IONNQARKSA-N 0 0 184.308 1.400 10 0 ADAERN Cc1nn(-c2nccs2)cc1N 575479211 352299250 /nfs/dbraw/zinc/29/92/50/352299250.db2.gz UABXUVADOGMFIJ-UHFFFAOYSA-N 0 0 180.236 1.219 10 0 ADAERN O=C1NCC[C@@H]1C[C@@H]1C[C@H]2C[C@H]2C1 575479264 352299266 /nfs/dbraw/zinc/29/92/66/352299266.db2.gz WPDKMHYQFBRPDF-DOLQZWNJSA-N 0 0 179.263 1.559 10 0 ADAERN O=C1NCC[C@H]1C[C@@H]1C[C@H]2C[C@H]2C1 575479267 352299369 /nfs/dbraw/zinc/29/93/69/352299369.db2.gz WPDKMHYQFBRPDF-QEYWKRMJSA-N 0 0 179.263 1.559 10 0 ADAERN CC(C)=C[C@@H](O)c1ccc(N)cn1 575479229 352299400 /nfs/dbraw/zinc/29/94/00/352299400.db2.gz URWRTVOEXLQCMO-SNVBAGLBSA-N 0 0 178.235 1.663 10 0 ADAERN CC(C)[C@H](O)c1ccc(N)cn1 575479223 352299416 /nfs/dbraw/zinc/29/94/16/352299416.db2.gz ULFJBPFUQKMETP-VIFPVBQESA-N 0 0 166.224 1.353 10 0 ADAERN CC(C)(C)[C@H](O)c1ccc(N)cn1 575479286 352299424 /nfs/dbraw/zinc/29/94/24/352299424.db2.gz YLVCQZIHEPQTOT-SECBINFHSA-N 0 0 180.251 1.743 10 0 ADAERN CNC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575479260 352299478 /nfs/dbraw/zinc/29/94/78/352299478.db2.gz LWKSMNWCRWFUGY-FPFOFBBKSA-N 0 0 175.178 1.024 10 0 ADAERN CC(C)[C@@H](O)c1ccc(N)cn1 575479222 352299481 /nfs/dbraw/zinc/29/94/81/352299481.db2.gz ULFJBPFUQKMETP-SECBINFHSA-N 0 0 166.224 1.353 10 0 ADAERN CC(C)=C[C@H](O)c1ccc(N)cn1 575479227 352299489 /nfs/dbraw/zinc/29/94/89/352299489.db2.gz URWRTVOEXLQCMO-JTQLQIEISA-N 0 0 178.235 1.663 10 0 ADAERN CC[C@H]1COC[C@@H]1n1nccc1N 575479379 352299831 /nfs/dbraw/zinc/29/98/31/352299831.db2.gz DHKZSXRRLHMLKP-YUMQZZPRSA-N 0 0 181.239 1.063 10 0 ADAERN CC[C@H]1COC[C@H]1n1nccc1N 575479375 352299947 /nfs/dbraw/zinc/29/99/47/352299947.db2.gz DHKZSXRRLHMLKP-JGVFFNPUSA-N 0 0 181.239 1.063 10 0 ADAERN CC[C@@H]1COC[C@H]1n1nccc1N 575479374 352299958 /nfs/dbraw/zinc/29/99/58/352299958.db2.gz DHKZSXRRLHMLKP-HTQZYQBOSA-N 0 0 181.239 1.063 10 0 ADAERN CC[C@@H]1COC[C@@H]1n1nccc1N 575479377 352300081 /nfs/dbraw/zinc/30/00/81/352300081.db2.gz DHKZSXRRLHMLKP-SFYZADRCSA-N 0 0 181.239 1.063 10 0 ADAERN CC(C)(C)[C@@H](O)c1ccc(N)cn1 575479295 352300141 /nfs/dbraw/zinc/30/01/41/352300141.db2.gz YLVCQZIHEPQTOT-VIFPVBQESA-N 0 0 180.251 1.743 10 0 ADAERN CNC(=S)NC[C@@]12CCCC[C@@H]1C2 575479503 352300241 /nfs/dbraw/zinc/30/02/41/352300241.db2.gz GSSJALKXJCHQAB-SCZZXKLOSA-N 0 0 198.335 1.661 10 0 ADAERN CNC(=S)NC[C@]12CCCC[C@H]1C2 575479504 352300268 /nfs/dbraw/zinc/30/02/68/352300268.db2.gz GSSJALKXJCHQAB-WCBMZHEXSA-N 0 0 198.335 1.661 10 0 ADAERN CCNC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575479540 352300305 /nfs/dbraw/zinc/30/03/05/352300305.db2.gz SSARIJREVMGUHT-KVSKUHBBSA-N 0 0 189.205 1.414 10 0 ADAERN N#CN[C@H]1CCC12CCCC2 575479456 352300415 /nfs/dbraw/zinc/30/04/15/352300415.db2.gz NOQLYQLLAWGSJX-QMMMGPOBSA-N 0 0 150.225 1.780 10 0 ADAERN N#CN[C@@H]1CCC12CCCC2 575479450 352300465 /nfs/dbraw/zinc/30/04/65/352300465.db2.gz NOQLYQLLAWGSJX-MRVPVSSYSA-N 0 0 150.225 1.780 10 0 ADAERN N#CNC[C@]12CCC[C@H]1C2 575479420 352300508 /nfs/dbraw/zinc/30/05/08/352300508.db2.gz FZYHBTHFGKAYIJ-JGVFFNPUSA-N 0 0 136.198 1.247 10 0 ADAERN N#CNC[C@@]12CCC[C@@H]1C2 575479421 352300551 /nfs/dbraw/zinc/30/05/51/352300551.db2.gz FZYHBTHFGKAYIJ-SFYZADRCSA-N 0 0 136.198 1.247 10 0 ADAERN CN(C)C(=O)N[C@]12CCCC[C@H]1C2 575479609 352301046 /nfs/dbraw/zinc/30/10/46/352301046.db2.gz HREUHHCYWWYKJP-WPRPVWTQSA-N 0 0 182.267 1.590 10 0 ADAERN CN(C)C(=O)N[C@@]12CCCC[C@@H]1C2 575479605 352301091 /nfs/dbraw/zinc/30/10/91/352301091.db2.gz HREUHHCYWWYKJP-PSASIEDQSA-N 0 0 182.267 1.590 10 0 ADAERN Cc1cc(C(N)=S)cnc1N(C)C 575479565 352301121 /nfs/dbraw/zinc/30/11/21/352301121.db2.gz SYJCBYDGFUWWGW-UHFFFAOYSA-N 0 0 195.291 1.090 10 0 ADAERN CCNC(=S)N[C@]12CCCC[C@H]1C2 575479672 352301573 /nfs/dbraw/zinc/30/15/73/352301573.db2.gz HUMSWBYKSRGTQU-WPRPVWTQSA-N 0 0 198.335 1.803 10 0 ADAERN CC(F)(F)CNc1cncc(F)n1 575479752 352301694 /nfs/dbraw/zinc/30/16/94/352301694.db2.gz FWBQZJVENCXOQP-UHFFFAOYSA-N 0 0 191.156 1.683 10 0 ADAERN CCNC(=S)N[C@@]12CCCC[C@@H]1C2 575479667 352301756 /nfs/dbraw/zinc/30/17/56/352301756.db2.gz HUMSWBYKSRGTQU-PSASIEDQSA-N 0 0 198.335 1.803 10 0 ADAERN CC(C)NC(=S)N[C@]12CCC[C@H]1C2 575479693 352301861 /nfs/dbraw/zinc/30/18/61/352301861.db2.gz HXPMJPLMRPLNKH-WPRPVWTQSA-N 0 0 198.335 1.802 10 0 ADAERN O=C1CCN([C@]23CCC[C@H]2C3)C1 575479835 352302226 /nfs/dbraw/zinc/30/22/26/352302226.db2.gz IDFBRJBFTMNJEH-WPRPVWTQSA-N 0 0 165.236 1.204 10 0 ADAERN O=C1CCN([C@@]23CCC[C@@H]2C3)C1 575479819 352302316 /nfs/dbraw/zinc/30/23/16/352302316.db2.gz IDFBRJBFTMNJEH-PSASIEDQSA-N 0 0 165.236 1.204 10 0 ADAERN CCC(F)(F)CC(=O)NC 575479948 352302902 /nfs/dbraw/zinc/30/29/02/352302902.db2.gz JCUBPKOMWLJYHF-UHFFFAOYSA-N 0 0 151.156 1.168 10 0 ADAERN CNC(=O)N(C)CC1(C)CC1 575480181 352303326 /nfs/dbraw/zinc/30/33/26/352303326.db2.gz KDXUCTFMVYHHAX-UHFFFAOYSA-N 0 0 156.229 1.058 10 0 ADAERN CNc1snnc1CN1CC(C)C1 575480136 352303540 /nfs/dbraw/zinc/30/35/40/352303540.db2.gz SGEAPSSLWNFIGY-UHFFFAOYSA-N 0 0 198.295 1.032 10 0 ADAERN CNC(=O)N[C@]12CCCC[C@H]1C2 575480236 352303810 /nfs/dbraw/zinc/30/38/10/352303810.db2.gz KYIBPJQHBVTAEZ-CBAPKCEASA-N 0 0 168.240 1.248 10 0 ADAERN CNC(=O)N[C@@]12CCCC[C@@H]1C2 575480240 352304202 /nfs/dbraw/zinc/30/42/02/352304202.db2.gz KYIBPJQHBVTAEZ-VXNVDRBHSA-N 0 0 168.240 1.248 10 0 ADAERN CNC(=O)NC[C@]12CCCC[C@H]1C2 575480375 352304629 /nfs/dbraw/zinc/30/46/29/352304629.db2.gz LYUIMUYLMILPCV-WCBMZHEXSA-N 0 0 182.267 1.496 10 0 ADAERN CNC(=O)NC[C@@]12CCCC[C@@H]1C2 575480372 352304632 /nfs/dbraw/zinc/30/46/32/352304632.db2.gz LYUIMUYLMILPCV-SCZZXKLOSA-N 0 0 182.267 1.496 10 0 ADAERN CO[C@@]1(C)C[C@@H]1Nc1nccs1 575480420 352304644 /nfs/dbraw/zinc/30/46/44/352304644.db2.gz VFCAZPOQVQLZNG-XPUUQOCRSA-N 0 0 184.264 1.732 10 0 ADAERN CC[C@@H]1COC[C@@]1(N)C(F)(F)F 575480320 352304665 /nfs/dbraw/zinc/30/46/65/352304665.db2.gz IIETZGDEICLUSQ-RITPCOANSA-N 0 0 183.173 1.303 10 0 ADAERN CC[C@H]1COC[C@@]1(N)C(F)(F)F 575480321 352304719 /nfs/dbraw/zinc/30/47/19/352304719.db2.gz IIETZGDEICLUSQ-WDSKDSINSA-N 0 0 183.173 1.303 10 0 ADAERN CC[C@H]1COC[C@]1(N)C(F)(F)F 575480314 352304791 /nfs/dbraw/zinc/30/47/91/352304791.db2.gz IIETZGDEICLUSQ-NTSWFWBYSA-N 0 0 183.173 1.303 10 0 ADAERN c1cc(N[C@]23CCC[C@H]2C3)ncn1 575480392 352304804 /nfs/dbraw/zinc/30/48/04/352304804.db2.gz MFQNACGMVBAFLG-WPRPVWTQSA-N 0 0 175.235 1.831 10 0 ADAERN CO[C@]1(C)C[C@H]1Nc1nccs1 575480417 352304848 /nfs/dbraw/zinc/30/48/48/352304848.db2.gz VFCAZPOQVQLZNG-HTRCEHHLSA-N 0 0 184.264 1.732 10 0 ADAERN CC[C@@H]1COC[C@]1(N)C(F)(F)F 575480319 352304883 /nfs/dbraw/zinc/30/48/83/352304883.db2.gz IIETZGDEICLUSQ-PHDIDXHHSA-N 0 0 183.173 1.303 10 0 ADAERN CO[C@]1(C)C[C@@H]1Nc1nccs1 575480418 352304905 /nfs/dbraw/zinc/30/49/05/352304905.db2.gz VFCAZPOQVQLZNG-POYBYMJQSA-N 0 0 184.264 1.732 10 0 ADAERN c1cc(N[C@@]23CCC[C@@H]2C3)ncn1 575480384 352304961 /nfs/dbraw/zinc/30/49/61/352304961.db2.gz MFQNACGMVBAFLG-PSASIEDQSA-N 0 0 175.235 1.831 10 0 ADAERN CO[C@]1(C)C[C@H]1Nc1ccccn1 575480487 352305332 /nfs/dbraw/zinc/30/53/32/352305332.db2.gz XVTFDNUBRYFCCI-PSASIEDQSA-N 0 0 178.235 1.671 10 0 ADAERN CC1CC([C@H]([NH3+])c2cncn2C)C1 575480442 352305348 /nfs/dbraw/zinc/30/53/48/352305348.db2.gz WFQDQCKSSYYGSF-KTOWXAHTSA-N 0 0 179.267 1.466 10 0 ADAERN CO[C@]1(C)C[C@@H]1Nc1ccccn1 575480490 352305356 /nfs/dbraw/zinc/30/53/56/352305356.db2.gz XVTFDNUBRYFCCI-WCBMZHEXSA-N 0 0 178.235 1.671 10 0 ADAERN CC1CN(c2ncnc(N)c2Cl)C1 575480452 352305361 /nfs/dbraw/zinc/30/53/61/352305361.db2.gz WJHWNPQWWJCSQS-UHFFFAOYSA-N 0 0 198.657 1.168 10 0 ADAERN CC1CC([C@@H]([NH3+])c2cncn2C)C1 575480443 352305482 /nfs/dbraw/zinc/30/54/82/352305482.db2.gz WFQDQCKSSYYGSF-SFVIPPHHSA-N 0 0 179.267 1.466 10 0 ADAERN CO[C@@]1(C)C[C@@H]1Nc1ccccn1 575480491 352305510 /nfs/dbraw/zinc/30/55/10/352305510.db2.gz XVTFDNUBRYFCCI-WPRPVWTQSA-N 0 0 178.235 1.671 10 0 ADAERN CNC(=S)N(C)CC(C)(F)F 575480512 352305644 /nfs/dbraw/zinc/30/56/44/352305644.db2.gz YEYSGROKUDPSKD-UHFFFAOYSA-N 0 0 182.239 1.078 10 0 ADAERN CC(F)(F)CNc1cncc(N)c1 575480586 352305998 /nfs/dbraw/zinc/30/59/98/352305998.db2.gz NDHAQXDIHLCMSY-UHFFFAOYSA-N 0 0 187.193 1.731 10 0 ADAERN COC(=O)N[C@]12CCC[C@H]1C2 575480561 352306397 /nfs/dbraw/zinc/30/63/97/352306397.db2.gz MWHQJANCQTUVJJ-XPUUQOCRSA-N 0 0 155.197 1.285 10 0 ADAERN CC1(C)C(=O)Nc2ccsc2C1=O 575480651 352306399 /nfs/dbraw/zinc/30/63/99/352306399.db2.gz NMFNLXLYVOAOSG-UHFFFAOYSA-N 0 0 195.243 1.909 10 0 ADAERN NC(=S)N[C@@]12CCCC[C@@H]1C2 575480667 352306986 /nfs/dbraw/zinc/30/69/86/352306986.db2.gz NTXRWCMAYDHGAG-HTRCEHHLSA-N 0 0 170.281 1.152 10 0 ADAERN O=C1CCN(C[C@@]23CCC[C@@H]2C3)C1 575480709 352307000 /nfs/dbraw/zinc/30/70/00/352307000.db2.gz NYGNFWNJUTZNAT-KOLCDFICSA-N 0 0 179.263 1.451 10 0 ADAERN O=C1CCN(C[C@]23CCC[C@H]2C3)C1 575480701 352307110 /nfs/dbraw/zinc/30/71/10/352307110.db2.gz NYGNFWNJUTZNAT-GXSJLCMTSA-N 0 0 179.263 1.451 10 0 ADAERN NC(=S)N[C@]12CCCC[C@H]1C2 575480677 352307148 /nfs/dbraw/zinc/30/71/48/352307148.db2.gz NTXRWCMAYDHGAG-XPUUQOCRSA-N 0 0 170.281 1.152 10 0 ADAERN CNC(=O)NC[C@@]12CCC[C@@H]1C2 575480890 352307725 /nfs/dbraw/zinc/30/77/25/352307725.db2.gz OSIGTXOVPMEUIE-APPZFPTMSA-N 0 0 168.240 1.106 10 0 ADAERN Fc1cncc(NC2CCC2)n1 575480956 352308208 /nfs/dbraw/zinc/30/82/08/352308208.db2.gz BELCWPXZFSHRGC-UHFFFAOYSA-N 0 0 167.187 1.580 10 0 ADAERN O=Cc1cnc([C@@H]2CC23CC3)nc1 575480921 352308216 /nfs/dbraw/zinc/30/82/16/352308216.db2.gz BCQZHHHUPHPVPB-QMMMGPOBSA-N 0 0 174.203 1.557 10 0 ADAERN CC[C@H]1COC[C@@H]1Nc1cn[nH]c1 575480957 352308222 /nfs/dbraw/zinc/30/82/22/352308222.db2.gz MIQBXBJWIFWDHO-CBAPKCEASA-N 0 0 181.239 1.247 10 0 ADAERN CNC(=O)NC[C@]12CCC[C@H]1C2 575480907 352308237 /nfs/dbraw/zinc/30/82/37/352308237.db2.gz OSIGTXOVPMEUIE-IONNQARKSA-N 0 0 168.240 1.106 10 0 ADAERN O=Cc1cnc([C@H]2CC23CC3)nc1 575480917 352308311 /nfs/dbraw/zinc/30/83/11/352308311.db2.gz BCQZHHHUPHPVPB-MRVPVSSYSA-N 0 0 174.203 1.557 10 0 ADAERN CC[C@@H]1COC[C@@H]1Nc1cn[nH]c1 575480948 352308555 /nfs/dbraw/zinc/30/85/55/352308555.db2.gz MIQBXBJWIFWDHO-APPZFPTMSA-N 0 0 181.239 1.247 10 0 ADAERN CC[C@H]1COC[C@H]1Nc1cn[nH]c1 575480958 352308607 /nfs/dbraw/zinc/30/86/07/352308607.db2.gz MIQBXBJWIFWDHO-IONNQARKSA-N 0 0 181.239 1.247 10 0 ADAERN CC[C@@H]1COC[C@H]1Nc1cn[nH]c1 575480959 352308643 /nfs/dbraw/zinc/30/86/43/352308643.db2.gz MIQBXBJWIFWDHO-VXNVDRBHSA-N 0 0 181.239 1.247 10 0 ADAERN CC(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575481046 352308805 /nfs/dbraw/zinc/30/88/05/352308805.db2.gz CGFLJHXXRGIBLD-KVSKUHBBSA-N 0 0 175.178 1.166 10 0 ADAERN O=C(NC1CC1)N[C@]12CCC[C@H]1C2 575481053 352309100 /nfs/dbraw/zinc/30/91/00/352309100.db2.gz PXALICXSTZRJBB-XVKPBYJWSA-N 0 0 180.251 1.391 10 0 ADAERN CC(=O)c1ccsc1NC(N)=O 575481241 352309444 /nfs/dbraw/zinc/30/94/44/352309444.db2.gz QMBVDGKYOAZKLI-UHFFFAOYSA-N 0 0 184.220 1.441 10 0 ADAERN C[C@@H]1C[C@H]1Nc1cncc(F)n1 575481173 352309488 /nfs/dbraw/zinc/30/94/88/352309488.db2.gz CRZAIBWSMDPJLO-PHDIDXHHSA-N 0 0 167.187 1.436 10 0 ADAERN CN[C@]1(C(F)(F)F)COC[C@@H]1C 575481184 352309525 /nfs/dbraw/zinc/30/95/25/352309525.db2.gz NNQKXQARDLSNJN-NTSWFWBYSA-N 0 0 183.173 1.173 10 0 ADAERN CNC(=O)Nc1sccc1C(C)=O 575481264 352309625 /nfs/dbraw/zinc/30/96/25/352309625.db2.gz QSGFAJLANZXGEV-UHFFFAOYSA-N 0 0 198.247 1.702 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cncc(F)n1 575481174 352309633 /nfs/dbraw/zinc/30/96/33/352309633.db2.gz CRZAIBWSMDPJLO-RITPCOANSA-N 0 0 167.187 1.436 10 0 ADAERN C[C@H]1C[C@@H]1Nc1cncc(F)n1 575481176 352309721 /nfs/dbraw/zinc/30/97/21/352309721.db2.gz CRZAIBWSMDPJLO-WDSKDSINSA-N 0 0 167.187 1.436 10 0 ADAERN CN[C@]1(C(F)(F)F)COC[C@H]1C 575481185 352309759 /nfs/dbraw/zinc/30/97/59/352309759.db2.gz NNQKXQARDLSNJN-PHDIDXHHSA-N 0 0 183.173 1.173 10 0 ADAERN CN[C@@]1(C(F)(F)F)COC[C@H]1C 575481186 352309771 /nfs/dbraw/zinc/30/97/71/352309771.db2.gz NNQKXQARDLSNJN-RITPCOANSA-N 0 0 183.173 1.173 10 0 ADAERN FC(F)CNC1CC(F)(F)C1 575481230 352309776 /nfs/dbraw/zinc/30/97/76/352309776.db2.gz DITPPLSAKVLFRE-UHFFFAOYSA-N 0 0 171.137 1.639 10 0 ADAERN C[C@H]1C[C@H]1Nc1cncc(F)n1 575481166 352309829 /nfs/dbraw/zinc/30/98/29/352309829.db2.gz CRZAIBWSMDPJLO-NTSWFWBYSA-N 0 0 167.187 1.436 10 0 ADAERN NC(=S)NC[C@@]12CCC[C@@H]1C2 575481336 352310358 /nfs/dbraw/zinc/31/03/58/352310358.db2.gz RFTXZPDDAYPUNN-SVRRBLITSA-N 0 0 170.281 1.010 10 0 ADAERN CC1(C)C[C@H]1Nc1cncc(F)n1 575481483 352311092 /nfs/dbraw/zinc/31/10/92/352311092.db2.gz GGOCUZQQAGNRCO-ZCFIWIBFSA-N 0 0 181.214 1.826 10 0 ADAERN CN[C@@]1(C(F)(F)F)COC[C@@H]1C 575481293 352310257 /nfs/dbraw/zinc/31/02/57/352310257.db2.gz NNQKXQARDLSNJN-WDSKDSINSA-N 0 0 183.173 1.173 10 0 ADAERN NC(=S)NC[C@]12CCC[C@H]1C2 575481335 352310321 /nfs/dbraw/zinc/31/03/21/352310321.db2.gz RFTXZPDDAYPUNN-POYBYMJQSA-N 0 0 170.281 1.010 10 0 ADAERN CC1(C)C[C@@H]1Nc1cncc(F)n1 575481478 352311041 /nfs/dbraw/zinc/31/10/41/352311041.db2.gz GGOCUZQQAGNRCO-LURJTMIESA-N 0 0 181.214 1.826 10 0 ADAERN CC(C)Nc1cncc(F)n1 575481508 352311090 /nfs/dbraw/zinc/31/10/90/352311090.db2.gz GMRMJULJGNHGGB-UHFFFAOYSA-N 0 0 155.176 1.436 10 0 ADAERN O=CNC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575481422 352311112 /nfs/dbraw/zinc/31/11/12/352311112.db2.gz FSYAAUMXMJFCFK-KVSKUHBBSA-N 0 0 175.178 1.024 10 0 ADAERN O=CNC[C@@]12CCCC[C@@H]1C2 575481501 352311147 /nfs/dbraw/zinc/31/11/47/352311147.db2.gz SVLMLZLEQPDSOY-BDAKNGLRSA-N 0 0 153.225 1.313 10 0 ADAERN O=CNC[C@]12CCCC[C@H]1C2 575481509 352311177 /nfs/dbraw/zinc/31/11/77/352311177.db2.gz SVLMLZLEQPDSOY-DTWKUNHWSA-N 0 0 153.225 1.313 10 0 ADAERN COC(=O)N[C@]12CCCC[C@H]1C2 575481459 352311190 /nfs/dbraw/zinc/31/11/90/352311190.db2.gz SOOXBOMTCIEFSK-CBAPKCEASA-N 0 0 169.224 1.675 10 0 ADAERN COC(=O)N[C@@]12CCCC[C@@H]1C2 575481461 352311217 /nfs/dbraw/zinc/31/12/17/352311217.db2.gz SOOXBOMTCIEFSK-VXNVDRBHSA-N 0 0 169.224 1.675 10 0 ADAERN Fc1cncc(NC2CC=CC2)n1 575481596 352311676 /nfs/dbraw/zinc/31/16/76/352311676.db2.gz HRMIWEZQFWRDML-UHFFFAOYSA-N 0 0 179.198 1.746 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@H]1CC2CCC1CC2 575481909 352313117 /nfs/dbraw/zinc/31/31/17/352313117.db2.gz AVSWWXMZWDDEIU-PEBLOWIWSA-N 0 0 183.251 1.225 10 0 ADAERN O=C1NCCN1C[C@]12CCC[C@H]1C2 575481939 352313279 /nfs/dbraw/zinc/31/32/79/352313279.db2.gz UNDDGQFFLVLNRG-WCBMZHEXSA-N 0 0 180.251 1.202 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@@H]1CC2CCC1CC2 575481907 352313305 /nfs/dbraw/zinc/31/33/05/352313305.db2.gz AVSWWXMZWDDEIU-GEPGNKONSA-N 0 0 183.251 1.225 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@H]1CC2CCC1CC2 575481896 352313310 /nfs/dbraw/zinc/31/33/10/352313310.db2.gz AVSWWXMZWDDEIU-ABIFROTESA-N 0 0 183.251 1.225 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@@H]1CC2CCC1CC2 575481910 352313369 /nfs/dbraw/zinc/31/33/69/352313369.db2.gz AVSWWXMZWDDEIU-YNTFGVKOSA-N 0 0 183.251 1.225 10 0 ADAERN O=C1NCCN1C[C@@]12CCC[C@@H]1C2 575481927 352313442 /nfs/dbraw/zinc/31/34/42/352313442.db2.gz UNDDGQFFLVLNRG-SCZZXKLOSA-N 0 0 180.251 1.202 10 0 ADAERN O=C1CCN([C@@]23CCCC[C@@H]2C3)C1 575482003 352313783 /nfs/dbraw/zinc/31/37/83/352313783.db2.gz URDJWWPTNVFLDY-MWLCHTKSSA-N 0 0 179.263 1.594 10 0 ADAERN O=Cc1cncn1C1CC(F)(F)C1 575482010 352313877 /nfs/dbraw/zinc/31/38/77/352313877.db2.gz IHAJUWVGCRXEAG-UHFFFAOYSA-N 0 0 186.161 1.666 10 0 ADAERN O=C1NCCCN1[C@]12CCC[C@H]1C2 575482100 352313888 /nfs/dbraw/zinc/31/38/88/352313888.db2.gz VKEXBTDYOIDVDK-WPRPVWTQSA-N 0 0 180.251 1.344 10 0 ADAERN C[C@H]1C(=O)Nc2ccsc2C1=O 575482112 352313895 /nfs/dbraw/zinc/31/38/95/352313895.db2.gz VQBFLYLYNZRIOG-SCSAIBSYSA-N 0 0 181.216 1.519 10 0 ADAERN O=C1CCN(C2CC(F)(F)C2)CC1 575482076 352313906 /nfs/dbraw/zinc/31/39/06/352313906.db2.gz JEHFJSRAOGEUHM-UHFFFAOYSA-N 0 0 189.205 1.449 10 0 ADAERN O=C1CCN([C@]23CCCC[C@H]2C3)C1 575482009 352313914 /nfs/dbraw/zinc/31/39/14/352313914.db2.gz URDJWWPTNVFLDY-ONGXEEELSA-N 0 0 179.263 1.594 10 0 ADAERN O=C1NCCCN1[C@@]12CCC[C@@H]1C2 575482097 352313952 /nfs/dbraw/zinc/31/39/52/352313952.db2.gz VKEXBTDYOIDVDK-PSASIEDQSA-N 0 0 180.251 1.344 10 0 ADAERN Fc1cncc(NCC2CC2)n1 575482022 352314020 /nfs/dbraw/zinc/31/40/20/352314020.db2.gz INBOHDCLGJHHGL-UHFFFAOYSA-N 0 0 167.187 1.438 10 0 ADAERN C[C@@H]1C(=O)Nc2ccsc2C1=O 575482111 352314066 /nfs/dbraw/zinc/31/40/66/352314066.db2.gz VQBFLYLYNZRIOG-BYPYZUCNSA-N 0 0 181.216 1.519 10 0 ADAERN CCNc1cncc(F)n1 575482167 352314502 /nfs/dbraw/zinc/31/45/02/352314502.db2.gz KCXZRGATPYINMZ-UHFFFAOYSA-N 0 0 141.149 1.048 10 0 ADAERN NC(=O)NC[C@]12CCCC[C@H]1C2 575482145 352314605 /nfs/dbraw/zinc/31/46/05/352314605.db2.gz WCELYPBCBCBTCQ-IONNQARKSA-N 0 0 168.240 1.235 10 0 ADAERN O=Cc1ccnc([C@@H]2CC23CC3)n1 575482161 352314607 /nfs/dbraw/zinc/31/46/07/352314607.db2.gz JSTXXXRBXWOUQH-QMMMGPOBSA-N 0 0 174.203 1.557 10 0 ADAERN O=Cc1ccnc([C@H]2CC23CC3)n1 575482159 352314628 /nfs/dbraw/zinc/31/46/28/352314628.db2.gz JSTXXXRBXWOUQH-MRVPVSSYSA-N 0 0 174.203 1.557 10 0 ADAERN NC(=O)NC[C@@]12CCCC[C@@H]1C2 575482143 352314824 /nfs/dbraw/zinc/31/48/24/352314824.db2.gz WCELYPBCBCBTCQ-APPZFPTMSA-N 0 0 168.240 1.235 10 0 ADAERN CNC(=S)N[C@]12CCC[C@H]1C2 575482329 352315091 /nfs/dbraw/zinc/31/50/91/352315091.db2.gz WEOTXVWKWZEHGN-XPUUQOCRSA-N 0 0 170.281 1.023 10 0 ADAERN Cn1cc(NCC2CC=CC2)cn1 575482294 352315179 /nfs/dbraw/zinc/31/51/79/352315179.db2.gz GFCFWMKQHOUZSJ-UHFFFAOYSA-N 0 0 177.251 1.798 10 0 ADAERN NC(=S)N[C@@H]1CCC12CCCC2 575482258 352315236 /nfs/dbraw/zinc/31/52/36/352315236.db2.gz FUNODJNAIYWASV-SSDOTTSWSA-N 0 0 184.308 1.542 10 0 ADAERN NC(=S)N[C@H]1CCC12CCCC2 575482261 352315455 /nfs/dbraw/zinc/31/54/55/352315455.db2.gz FUNODJNAIYWASV-ZETCQYMHSA-N 0 0 184.308 1.542 10 0 ADAERN Nc1cc(NC[C@H]2CC23CC3)sn1 575482469 352315809 /nfs/dbraw/zinc/31/58/09/352315809.db2.gz KJSHFUKBYHKHQK-ZCFIWIBFSA-N 0 0 195.291 1.937 10 0 ADAERN Nc1cc(NC[C@@H]2CC23CC3)sn1 575482466 352315960 /nfs/dbraw/zinc/31/59/60/352315960.db2.gz KJSHFUKBYHKHQK-LURJTMIESA-N 0 0 195.291 1.937 10 0 ADAERN S=C(NC1CC1)N[C@]12CCC[C@H]1C2 575482497 352316369 /nfs/dbraw/zinc/31/63/69/352316369.db2.gz XBPVJAMTTHPVLR-XVKPBYJWSA-N 0 0 196.319 1.556 10 0 ADAERN O=C1CCN(C[C@@H]2CC23CC3)C1 575482565 352316378 /nfs/dbraw/zinc/31/63/78/352316378.db2.gz LETSFVCLFYLBPV-QMMMGPOBSA-N 0 0 165.236 1.061 10 0 ADAERN C=CC(=O)NC[C@@H]1CC12CC2 575482588 352316389 /nfs/dbraw/zinc/31/63/89/352316389.db2.gz LNHOXXFXFWNVFW-ZETCQYMHSA-N 0 0 151.209 1.089 10 0 ADAERN CNC(=S)N[C@@]12CCCC[C@@H]1C2 575482505 352316434 /nfs/dbraw/zinc/31/64/34/352316434.db2.gz XGKABSLPLWEEII-VXNVDRBHSA-N 0 0 184.308 1.413 10 0 ADAERN C=CC(=O)NC[C@H]1CC12CC2 575482587 352316450 /nfs/dbraw/zinc/31/64/50/352316450.db2.gz LNHOXXFXFWNVFW-SSDOTTSWSA-N 0 0 151.209 1.089 10 0 ADAERN CCC(F)(F)CNC#N 575482593 352316458 /nfs/dbraw/zinc/31/64/58/352316458.db2.gz XTVLNZPCEBZIDY-UHFFFAOYSA-N 0 0 134.129 1.102 10 0 ADAERN O=C1CCN(C[C@H]2CC23CC3)C1 575482563 352316501 /nfs/dbraw/zinc/31/65/01/352316501.db2.gz LETSFVCLFYLBPV-MRVPVSSYSA-N 0 0 165.236 1.061 10 0 ADAERN CNC(=S)N[C@]12CCCC[C@H]1C2 575482501 352316673 /nfs/dbraw/zinc/31/66/73/352316673.db2.gz XGKABSLPLWEEII-CBAPKCEASA-N 0 0 184.308 1.413 10 0 ADAERN CCNC(=O)[C@H]1CCCSCC1 575482854 352317694 /nfs/dbraw/zinc/31/76/94/352317694.db2.gz DLYAJXJZNDTEAC-QMMMGPOBSA-N 0 0 187.308 1.656 10 0 ADAERN CC(C)c1csc(C2(N)COC2)n1 575482842 352317721 /nfs/dbraw/zinc/31/77/21/352317721.db2.gz IZVGHPUWIDPWIT-UHFFFAOYSA-N 0 0 198.291 1.451 10 0 ADAERN CCNC(=O)[C@@H]1CCCSCC1 575482853 352317784 /nfs/dbraw/zinc/31/77/84/352317784.db2.gz DLYAJXJZNDTEAC-MRVPVSSYSA-N 0 0 187.308 1.656 10 0 ADAERN CC(C)=C[C@@H](O)c1cccc(N)n1 575482813 352317785 /nfs/dbraw/zinc/31/77/85/352317785.db2.gz ITLLBJABUFGKBM-SECBINFHSA-N 0 0 178.235 1.663 10 0 ADAERN CC[C@H]1COC[C@H]1Nc1cnsc1 575482777 352317810 /nfs/dbraw/zinc/31/78/10/352317810.db2.gz SWKBEIXBDUTGIU-IONNQARKSA-N 0 0 198.291 1.980 10 0 ADAERN CC[C@H]1COC[C@@H]1Nc1cnsc1 575482774 352317924 /nfs/dbraw/zinc/31/79/24/352317924.db2.gz SWKBEIXBDUTGIU-CBAPKCEASA-N 0 0 198.291 1.980 10 0 ADAERN CC[C@@H]1COC[C@@H]1Nc1cnsc1 575482768 352317994 /nfs/dbraw/zinc/31/79/94/352317994.db2.gz SWKBEIXBDUTGIU-APPZFPTMSA-N 0 0 198.291 1.980 10 0 ADAERN CC(C)=C[C@H](O)c1cccc(N)n1 575482814 352318021 /nfs/dbraw/zinc/31/80/21/352318021.db2.gz ITLLBJABUFGKBM-VIFPVBQESA-N 0 0 178.235 1.663 10 0 ADAERN CC[C@@H]1COC[C@H]1Nc1cnsc1 575482779 352318092 /nfs/dbraw/zinc/31/80/92/352318092.db2.gz SWKBEIXBDUTGIU-VXNVDRBHSA-N 0 0 198.291 1.980 10 0 ADAERN C[C@@H]1COC[C@@H]1n1cccc1C=O 575483007 352318543 /nfs/dbraw/zinc/31/85/43/352318543.db2.gz DZENPHQPUWVQSM-SCZZXKLOSA-N 0 0 179.219 1.508 10 0 ADAERN C[C@@H]1COC[C@H]1n1cccc1C=O 575482986 352318576 /nfs/dbraw/zinc/31/85/76/352318576.db2.gz DZENPHQPUWVQSM-PSASIEDQSA-N 0 0 179.219 1.508 10 0 ADAERN C[C@H]1COC[C@H]1n1cccc1C=O 575483010 352318581 /nfs/dbraw/zinc/31/85/81/352318581.db2.gz DZENPHQPUWVQSM-WCBMZHEXSA-N 0 0 179.219 1.508 10 0 ADAERN N#CNC[C@@H]1CCCSCC1 575483096 352319200 /nfs/dbraw/zinc/31/92/00/352319200.db2.gz FKBAOSKZYNZJBJ-MRVPVSSYSA-N 0 0 170.281 1.590 10 0 ADAERN CC(F)(F)CNc1ncc(N)s1 575483102 352319263 /nfs/dbraw/zinc/31/92/63/352319263.db2.gz ZPIWYUSRDSKSKP-UHFFFAOYSA-N 0 0 193.222 1.792 10 0 ADAERN CNC(=O)[C@H]1CCCSCC1 575483081 352319351 /nfs/dbraw/zinc/31/93/51/352319351.db2.gz FFGALQFDAWJMKW-ZETCQYMHSA-N 0 0 173.281 1.266 10 0 ADAERN CNC(=O)[C@@H]1CCCSCC1 575483079 352319499 /nfs/dbraw/zinc/31/94/99/352319499.db2.gz FFGALQFDAWJMKW-SSDOTTSWSA-N 0 0 173.281 1.266 10 0 ADAERN N#CNC[C@H]1CCCSCC1 575483098 352319522 /nfs/dbraw/zinc/31/95/22/352319522.db2.gz FKBAOSKZYNZJBJ-QMMMGPOBSA-N 0 0 170.281 1.590 10 0 ADAERN C[C@H]1COC[C@@H]1n1cccc1C=O 575483014 352319576 /nfs/dbraw/zinc/31/95/76/352319576.db2.gz DZENPHQPUWVQSM-WPRPVWTQSA-N 0 0 179.219 1.508 10 0 ADAERN CNC(=S)NC[C@@]12CCC[C@@H]1C2 575483145 352319647 /nfs/dbraw/zinc/31/96/47/352319647.db2.gz ZXILTBXEINLBEQ-APPZFPTMSA-N 0 0 184.308 1.271 10 0 ADAERN CNC(=S)NC[C@]12CCC[C@H]1C2 575483172 352320306 /nfs/dbraw/zinc/32/03/06/352320306.db2.gz ZXILTBXEINLBEQ-IONNQARKSA-N 0 0 184.308 1.271 10 0 ADAERN CC[C@@](C)(NC(N)=S)C1CC1 575483385 352320944 /nfs/dbraw/zinc/32/09/44/352320944.db2.gz FYJOXLGGBDDDSV-MRVPVSSYSA-N 0 0 172.297 1.398 10 0 ADAERN Nc1nc([C@H]2CC23CC3)ns1 575483377 352320936 /nfs/dbraw/zinc/32/09/36/352320936.db2.gz PHVPRORTAISQMP-SCSAIBSYSA-N 0 0 167.237 1.218 10 0 ADAERN CC(=O)NC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575483345 352320941 /nfs/dbraw/zinc/32/09/41/352320941.db2.gz PDNVNRDZOPXLHQ-RNLVFQAGSA-N 0 0 189.205 1.414 10 0 ADAERN CC[C@](C)(NC(N)=S)C1CC1 575483401 352320947 /nfs/dbraw/zinc/32/09/47/352320947.db2.gz FYJOXLGGBDDDSV-QMMMGPOBSA-N 0 0 172.297 1.398 10 0 ADAERN Nc1cc(=O)[nH]c([C@@H]2CC23CC3)n1 575483399 352320973 /nfs/dbraw/zinc/32/09/73/352320973.db2.gz PLMLBLFFSANAGB-YFKPBYRVSA-N 0 0 177.207 1.032 10 0 ADAERN N#CNC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575483309 352321022 /nfs/dbraw/zinc/32/10/22/352321022.db2.gz PCIOLRAKDYBODX-KVSKUHBBSA-N 0 0 172.178 1.348 10 0 ADAERN NNC(=S)N[C@@H]1CCC12CCCC2 575483317 352321033 /nfs/dbraw/zinc/32/10/33/352321033.db2.gz NSKDARYUGVMQSA-SSDOTTSWSA-N 0 0 199.323 1.047 10 0 ADAERN CC[C@@H]1COC[C@@H]1Nc1cnns1 575483329 352321054 /nfs/dbraw/zinc/32/10/54/352321054.db2.gz UZXPBHUVDRLCNR-RQJHMYQMSA-N 0 0 199.279 1.375 10 0 ADAERN CNC1(c2nc(C)c(C)s2)COC1 575483392 352321059 /nfs/dbraw/zinc/32/10/59/352321059.db2.gz OKYSFRLCLQPFAN-UHFFFAOYSA-N 0 0 198.291 1.205 10 0 ADAERN CC[C@@H]1COC[C@H]1Nc1cnns1 575483326 352321069 /nfs/dbraw/zinc/32/10/69/352321069.db2.gz UZXPBHUVDRLCNR-RNFRBKRXSA-N 0 0 199.279 1.375 10 0 ADAERN NNC(=S)N[C@H]1CCC12CCCC2 575483320 352321091 /nfs/dbraw/zinc/32/10/91/352321091.db2.gz NSKDARYUGVMQSA-ZETCQYMHSA-N 0 0 199.323 1.047 10 0 ADAERN CC[C@H]1COC[C@@H]1Nc1cnns1 575483322 352321094 /nfs/dbraw/zinc/32/10/94/352321094.db2.gz UZXPBHUVDRLCNR-BQBZGAKWSA-N 0 0 199.279 1.375 10 0 ADAERN Nc1cc(=O)[nH]c([C@H]2CC23CC3)n1 575483398 352321156 /nfs/dbraw/zinc/32/11/56/352321156.db2.gz PLMLBLFFSANAGB-RXMQYKEDSA-N 0 0 177.207 1.032 10 0 ADAERN CC(C)CNc1cncc(F)n1 575483378 352321176 /nfs/dbraw/zinc/32/11/76/352321176.db2.gz PKHONXPLKKSTQC-UHFFFAOYSA-N 0 0 169.203 1.684 10 0 ADAERN Nc1nc([C@@H]2CC23CC3)ns1 575483374 352321314 /nfs/dbraw/zinc/32/13/14/352321314.db2.gz PHVPRORTAISQMP-BYPYZUCNSA-N 0 0 167.237 1.218 10 0 ADAERN CC[C@H]1COC[C@H]1Nc1cnns1 575483324 352321320 /nfs/dbraw/zinc/32/13/20/352321320.db2.gz UZXPBHUVDRLCNR-NKWVEPMBSA-N 0 0 199.279 1.375 10 0 ADAERN CC[C@@H]1COC[C@]12CC(=O)CCO2 575483438 352321688 /nfs/dbraw/zinc/32/16/88/352321688.db2.gz FZSHCXWYAURODL-PSASIEDQSA-N 0 0 184.235 1.161 10 0 ADAERN Fc1cncc(NC2CC2)n1 575483488 352321771 /nfs/dbraw/zinc/32/17/71/352321771.db2.gz QHEAIVDRMQDYBO-UHFFFAOYSA-N 0 0 153.160 1.190 10 0 ADAERN CC(C)(C)[C@H](O)c1cccc(N)n1 575483507 352321779 /nfs/dbraw/zinc/32/17/79/352321779.db2.gz PHYLIICYPQDPJG-SECBINFHSA-N 0 0 180.251 1.743 10 0 ADAERN CC[C@H]1COC[C@@]12CC(=O)CCO2 575483449 352321956 /nfs/dbraw/zinc/32/19/56/352321956.db2.gz FZSHCXWYAURODL-WPRPVWTQSA-N 0 0 184.235 1.161 10 0 ADAERN CC(=O)NCCC1SCCS1 575483511 352321965 /nfs/dbraw/zinc/32/19/65/352321965.db2.gz PHZVSXDVZMCWSK-UHFFFAOYSA-N 0 0 191.321 1.319 10 0 ADAERN CC(C)(C)[C@@H](O)c1cccc(N)n1 575483509 352322024 /nfs/dbraw/zinc/32/20/24/352322024.db2.gz PHYLIICYPQDPJG-VIFPVBQESA-N 0 0 180.251 1.743 10 0 ADAERN CC[C@@H]1COC[C@@]12CC(=O)CCO2 575483441 352322043 /nfs/dbraw/zinc/32/20/43/352322043.db2.gz FZSHCXWYAURODL-SCZZXKLOSA-N 0 0 184.235 1.161 10 0 ADAERN CC[C@H]1COC[C@]12CC(=O)CCO2 575483447 352322095 /nfs/dbraw/zinc/32/20/95/352322095.db2.gz FZSHCXWYAURODL-WCBMZHEXSA-N 0 0 184.235 1.161 10 0 ADAERN CC[C@H]1COC[C@@H]1Nc1nccs1 575483584 352322354 /nfs/dbraw/zinc/32/23/54/352322354.db2.gz GGFCZXOOWIXEMP-YUMQZZPRSA-N 0 0 198.291 1.980 10 0 ADAERN NC(=S)N[C@@H]1CCC12CCCCC2 575483548 352322357 /nfs/dbraw/zinc/32/23/57/352322357.db2.gz PPCRWUFCLWKTIZ-MRVPVSSYSA-N 0 0 198.335 1.933 10 0 ADAERN N#CN[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575483603 352322395 /nfs/dbraw/zinc/32/23/95/352322395.db2.gz QVLVCPZSVSNBGP-FPFOFBBKSA-N 0 0 158.151 1.101 10 0 ADAERN CC[C@H]1COC[C@H]1Nc1nccs1 575483578 352322413 /nfs/dbraw/zinc/32/24/13/352322413.db2.gz GGFCZXOOWIXEMP-JGVFFNPUSA-N 0 0 198.291 1.980 10 0 ADAERN CCc1nc(C2(N)COC2)sc1C 575483602 352322437 /nfs/dbraw/zinc/32/24/37/352322437.db2.gz QDBYVCQHIKHRGO-UHFFFAOYSA-N 0 0 198.291 1.198 10 0 ADAERN NC(=S)N[C@H]1CCC12CCCCC2 575483550 352322571 /nfs/dbraw/zinc/32/25/71/352322571.db2.gz PPCRWUFCLWKTIZ-QMMMGPOBSA-N 0 0 198.335 1.933 10 0 ADAERN CC[C@@H]1COC[C@@H]1Nc1nccs1 575483580 352322605 /nfs/dbraw/zinc/32/26/05/352322605.db2.gz GGFCZXOOWIXEMP-SFYZADRCSA-N 0 0 198.291 1.980 10 0 ADAERN CC[C@@H]1COC[C@]12[NH2+][C@H](C)CS2 575483849 352324091 /nfs/dbraw/zinc/32/40/91/352324091.db2.gz WXZVCPSTHICOJG-IWSPIJDZSA-N 0 0 187.308 1.464 10 0 ADAERN CCCNc1cncc(F)n1 575483904 352324114 /nfs/dbraw/zinc/32/41/14/352324114.db2.gz RMKZOCQZVIFABD-UHFFFAOYSA-N 0 0 155.176 1.438 10 0 ADAERN Cc1nc(-c2noc(C=O)n2)cs1 575483940 352324278 /nfs/dbraw/zinc/32/42/78/352324278.db2.gz SLJYPIFGVSSXAN-UHFFFAOYSA-N 0 0 195.203 1.314 10 0 ADAERN CC(C)[C@@H](O)c1cccc(N)n1 575484051 352324756 /nfs/dbraw/zinc/32/47/56/352324756.db2.gz UEGXJEGGMVTRLU-SECBINFHSA-N 0 0 166.224 1.353 10 0 ADAERN O=CNC[C@H]1CCCSCC1 575483988 352324934 /nfs/dbraw/zinc/32/49/34/352324934.db2.gz HAXQZXZQWIKSCV-QMMMGPOBSA-N 0 0 173.281 1.266 10 0 ADAERN O=CNC[C@@H]1CCCSCC1 575483987 352324968 /nfs/dbraw/zinc/32/49/68/352324968.db2.gz HAXQZXZQWIKSCV-MRVPVSSYSA-N 0 0 173.281 1.266 10 0 ADAERN CC(C)[C@H](O)c1cccc(N)n1 575484060 352324977 /nfs/dbraw/zinc/32/49/77/352324977.db2.gz UEGXJEGGMVTRLU-VIFPVBQESA-N 0 0 166.224 1.353 10 0 ADAERN Nc1cccc([C@H](O)C2CC2)n1 575484119 352325693 /nfs/dbraw/zinc/32/56/93/352325693.db2.gz VFQALEIAULWOLH-SECBINFHSA-N 0 0 164.208 1.107 10 0 ADAERN c1cc2c(c3c1CCCN3)CCO2 575484147 352325774 /nfs/dbraw/zinc/32/57/74/352325774.db2.gz XCMQDSHMYKVWIW-UHFFFAOYSA-N 0 0 175.231 1.980 10 0 ADAERN Nc1cccc([C@@H](O)C2CC2)n1 575484120 352325785 /nfs/dbraw/zinc/32/57/85/352325785.db2.gz VFQALEIAULWOLH-VIFPVBQESA-N 0 0 164.208 1.107 10 0 ADAERN CCC(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575484331 352326152 /nfs/dbraw/zinc/32/61/52/352326152.db2.gz UFDMLLOJDFHQHT-KVSKUHBBSA-N 0 0 189.205 1.556 10 0 ADAERN O=C([O-])[C@H]1C[C@H]([NH+]2CCCCC2)C1 575484454 352326918 /nfs/dbraw/zinc/32/69/18/352326918.db2.gz IROOJEVPIJQBHE-KYZUINATSA-N 0 0 183.251 1.336 10 0 ADAERN CC[C@](C)(NC(C)=O)C1CC1 575484457 352326946 /nfs/dbraw/zinc/32/69/46/352326946.db2.gz IRSWBKSJRQLGDG-VIFPVBQESA-N 0 0 155.241 1.701 10 0 ADAERN C[C@@H]1COC[C@@H]1Nc1ncc(N)s1 575484426 352326962 /nfs/dbraw/zinc/32/69/62/352326962.db2.gz IOKQDZNAQJMVCS-RITPCOANSA-N 0 0 199.279 1.172 10 0 ADAERN C[C@H]1COC[C@H]1Nc1ncc(N)s1 575484421 352326977 /nfs/dbraw/zinc/32/69/77/352326977.db2.gz IOKQDZNAQJMVCS-NTSWFWBYSA-N 0 0 199.279 1.172 10 0 ADAERN C[C@H]1COC[C@@H]1Nc1ncc(N)s1 575484428 352327022 /nfs/dbraw/zinc/32/70/22/352327022.db2.gz IOKQDZNAQJMVCS-WDSKDSINSA-N 0 0 199.279 1.172 10 0 ADAERN C[C@@H]1COC[C@H]1Nc1ncc(N)s1 575484425 352327052 /nfs/dbraw/zinc/32/70/52/352327052.db2.gz IOKQDZNAQJMVCS-PHDIDXHHSA-N 0 0 199.279 1.172 10 0 ADAERN CC[C@@](C)(NC(C)=O)C1CC1 575484456 352327121 /nfs/dbraw/zinc/32/71/21/352327121.db2.gz IRSWBKSJRQLGDG-SECBINFHSA-N 0 0 155.241 1.701 10 0 ADAERN C=CC(=O)N[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575485011 352328917 /nfs/dbraw/zinc/32/89/17/352328917.db2.gz XWFBHRSGETWQCH-KVSKUHBBSA-N 0 0 187.189 1.332 10 0 ADAERN CC(C)[C@@H]1COC[C@]1(N)C(F)(F)F 575484599 352327819 /nfs/dbraw/zinc/32/78/19/352327819.db2.gz ZMEJHVCEGRFZBU-NKWVEPMBSA-N 0 0 197.200 1.549 10 0 ADAERN CC(C)[C@H]1COC[C@]1(N)C(F)(F)F 575484600 352327872 /nfs/dbraw/zinc/32/78/72/352327872.db2.gz ZMEJHVCEGRFZBU-RNFRBKRXSA-N 0 0 197.200 1.549 10 0 ADAERN CC(C)[C@H]1COC[C@@]1(N)C(F)(F)F 575484601 352327924 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575486075 352334491 /nfs/dbraw/zinc/33/44/91/352334491.db2.gz FKNLASANNLLMBY-UHFFFAOYSA-N 0 0 195.291 1.560 10 0 ADAERN O=C(NC1CC1)[C@@H]1CCCSCC1 575486014 352334567 /nfs/dbraw/zinc/33/45/67/352334567.db2.gz UCQIZYNBXMPKFI-MRVPVSSYSA-N 0 0 199.319 1.798 10 0 ADAERN Cn1cncc1C(=O)[C@H]1CC12CC2 575486173 352335058 /nfs/dbraw/zinc/33/50/58/352335058.db2.gz ADOHMFNNTKGYFY-SSDOTTSWSA-N 0 0 176.219 1.403 10 0 ADAERN Nc1csc(-c2cncc(F)c2)n1 575486244 352335082 /nfs/dbraw/zinc/33/50/82/352335082.db2.gz BBGFOICINWWXSO-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Nc1cnc([C@@H]2CC23CC3)[nH]c1=O 575486148 352335259 /nfs/dbraw/zinc/33/52/59/352335259.db2.gz GBFYRMRZKSMBGH-YFKPBYRVSA-N 0 0 177.207 1.032 10 0 ADAERN Nc1cnc([C@H]2CC23CC3)[nH]c1=O 575486147 352335379 /nfs/dbraw/zinc/33/53/79/352335379.db2.gz GBFYRMRZKSMBGH-RXMQYKEDSA-N 0 0 177.207 1.032 10 0 ADAERN Cn1cncc1C(=O)[C@@H]1CC12CC2 575486175 352335394 /nfs/dbraw/zinc/33/53/94/352335394.db2.gz ADOHMFNNTKGYFY-ZETCQYMHSA-N 0 0 176.219 1.403 10 0 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352347651 /nfs/dbraw/zinc/34/76/51/352347651.db2.gz JZRCHHBYVPLFGZ-RQJHMYQMSA-N 0 0 181.214 1.826 10 0 ADAERN c1cnc(NCC2CSC2)nc1 575488202 352347723 /nfs/dbraw/zinc/34/77/23/352347723.db2.gz PWSBEIVRUNSXJW-UHFFFAOYSA-N 0 0 181.264 1.252 10 0 ADAERN O=Cc1nc([C@@H]2CC23CC3)no1 575488225 352347771 /nfs/dbraw/zinc/34/77/71/352347771.db2.gz QKSOFOSYGKOJAO-YFKPBYRVSA-N 0 0 164.164 1.150 10 0 ADAERN CC[C@@H](C)N1C(=O)CCCNC1=O 575488381 352348014 /nfs/dbraw/zinc/34/80/14/352348014.db2.gz KYJFYSSOMVNQKS-SSDOTTSWSA-N 0 0 184.239 1.117 10 0 ADAERN Cn1cncc1C(=O)C(C)(C)F 575488271 352348019 /nfs/dbraw/zinc/34/80/19/352348019.db2.gz XAMTUEUVXDZHGV-UHFFFAOYSA-N 0 0 170.187 1.351 10 0 ADAERN Cn1ccc(C(=O)[C@@H]2CC23CC3)n1 575488292 352348067 /nfs/dbraw/zinc/34/80/67/352348067.db2.gz RUGBQUSJGSYLNV-ZETCQYMHSA-N 0 0 176.219 1.403 10 0 ADAERN Cn1ccc(C(=O)[C@H]2CC23CC3)n1 575488289 352348106 /nfs/dbraw/zinc/34/81/06/352348106.db2.gz RUGBQUSJGSYLNV-SSDOTTSWSA-N 0 0 176.219 1.403 10 0 ADAERN 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/nfs/dbraw/zinc/34/94/82/352349482.db2.gz ULYBBIMUUIOACJ-UHFFFAOYSA-N 0 0 180.276 1.857 10 0 ADAERN CNC(=S)NC[C@@H]1CCC[C@@H]2C[C@H]12 575488604 352349492 /nfs/dbraw/zinc/34/94/92/352349492.db2.gz UZNXAIRVPJHZCK-VGMNWLOBSA-N 0 0 198.335 1.517 10 0 ADAERN CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 575488615 352349498 /nfs/dbraw/zinc/34/94/98/352349498.db2.gz OITJVXJDAKVNBP-DJLDLDEBSA-N 0 0 167.252 1.559 10 0 ADAERN CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575488616 352349533 /nfs/dbraw/zinc/34/95/33/352349533.db2.gz OITJVXJDAKVNBP-HLTSFMKQSA-N 0 0 167.252 1.559 10 0 ADAERN O=C(NC1CC1)[C@@H]1CCC[C@@H]2C[C@@H]21 575488620 352349540 /nfs/dbraw/zinc/34/95/40/352349540.db2.gz OMFFWAOTEBARQO-QNSHHTMESA-N 0 0 179.263 1.701 10 0 ADAERN c1csc(NCC2CSC2)n1 575488648 352349721 /nfs/dbraw/zinc/34/97/21/352349721.db2.gz VFGZZDNPQXJVTJ-UHFFFAOYSA-N 0 0 186.305 1.918 10 0 ADAERN Cn1cnc(C(=O)[C@@H]2CC23CC3)c1 575488693 352349764 /nfs/dbraw/zinc/34/97/64/352349764.db2.gz VVRCQSXZSKBGLB-ZETCQYMHSA-N 0 0 176.219 1.403 10 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/nfs/dbraw/zinc/35/11/89/352351189.db2.gz WLRKVSVNZMPXSQ-UHFFFAOYSA-N 0 0 143.215 1.142 10 0 ADAERN CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 575488937 352351226 /nfs/dbraw/zinc/35/12/26/352351226.db2.gz UAKDINXLXBYCSW-XLPZGREQSA-N 0 0 153.225 1.169 10 0 ADAERN C[C@@H](Nc1cncc(F)n1)C(F)F 575488978 352351296 /nfs/dbraw/zinc/35/12/96/352351296.db2.gz UPUBYSRTEHRSBX-SCSAIBSYSA-N 0 0 191.156 1.681 10 0 ADAERN CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 575488934 352351319 /nfs/dbraw/zinc/35/13/19/352351319.db2.gz UAKDINXLXBYCSW-PRJMDXOYSA-N 0 0 153.225 1.169 10 0 ADAERN Cc1cc(NC2(C)CC2)nc(F)n1 575489155 352351940 /nfs/dbraw/zinc/35/19/40/352351940.db2.gz AHOUSFUSKKDMKW-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN CC[C@H]1C[C@H]1Nc1cncc(F)n1 575489101 352351956 /nfs/dbraw/zinc/35/19/56/352351956.db2.gz YKKVNWBECYHYEX-NKWVEPMBSA-N 0 0 181.214 1.826 10 0 ADAERN N#CN[C@@H]1CCC[C@@H]2C[C@@H]21 575489097 352351961 /nfs/dbraw/zinc/35/19/61/352351961.db2.gz YJMQEPRTCPNCKE-GJMOJQLCSA-N 0 0 136.198 1.246 10 0 ADAERN C[C@H]1CC[NH2+]C[C@]1(C(=O)[O-])C1CC1 575489052 352351967 /nfs/dbraw/zinc/35/19/67/352351967.db2.gz WZARQDDGIQTCQE-OIBJUYFYSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@H]1CC[NH2+]C[C@]1(C(=O)[O-])C1CC1 575489051 352351973 /nfs/dbraw/zinc/35/19/73/352351973.db2.gz WZARQDDGIQTCQE-GMSGAONNSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@H]1CC[NH2+]C[C@@]1(C(=O)[O-])C1CC1 575489054 352352023 /nfs/dbraw/zinc/35/20/23/352352023.db2.gz WZARQDDGIQTCQE-XVKPBYJWSA-N 0 0 183.251 1.097 10 0 ADAERN CC1CC(Nc2cncc(F)n2)C1 575489087 352352048 /nfs/dbraw/zinc/35/20/48/352352048.db2.gz YFEUATKVZZDYCI-UHFFFAOYSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@H](CO)Nc1cncc(Cl)c1 575489083 352352053 /nfs/dbraw/zinc/35/20/53/352352053.db2.gz YANLWZQBXYAZRR-ZCFIWIBFSA-N 0 0 186.642 1.528 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1cncc(F)n1 575489100 352352064 /nfs/dbraw/zinc/35/20/64/352352064.db2.gz YKKVNWBECYHYEX-BQBZGAKWSA-N 0 0 181.214 1.826 10 0 ADAERN N#CN[C@@H]1CCC[C@H]2C[C@H]21 575489098 352352072 /nfs/dbraw/zinc/35/20/72/352352072.db2.gz YJMQEPRTCPNCKE-XLPZGREQSA-N 0 0 136.198 1.246 10 0 ADAERN C[C@@H](CO)Nc1cncc(Cl)c1 575489082 352352113 /nfs/dbraw/zinc/35/21/13/352352113.db2.gz YANLWZQBXYAZRR-LURJTMIESA-N 0 0 186.642 1.528 10 0 ADAERN CCCNc1nsnc1CC 575489107 352352139 /nfs/dbraw/zinc/35/21/39/352352139.db2.gz YPGUDLRRQPXKGX-UHFFFAOYSA-N 0 0 171.269 1.922 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1cncc(F)n1 575489103 352352145 /nfs/dbraw/zinc/35/21/45/352352145.db2.gz YKKVNWBECYHYEX-RQJHMYQMSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1CC[NH2+]C[C@@]1(C(=O)[O-])C1CC1 575489053 352352147 /nfs/dbraw/zinc/35/21/47/352352147.db2.gz WZARQDDGIQTCQE-XCBNKYQSSA-N 0 0 183.251 1.097 10 0 ADAERN Clc1cncc(NC2COC2)c1 575489059 352352155 /nfs/dbraw/zinc/35/21/55/352352155.db2.gz XCLFQGXSJWGODW-UHFFFAOYSA-N 0 0 184.626 1.546 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1cncc(F)n1 575489102 352352161 /nfs/dbraw/zinc/35/21/61/352352161.db2.gz YKKVNWBECYHYEX-RNFRBKRXSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1CCC[C@H]1N(C)C(N)=S 575489215 352352309 /nfs/dbraw/zinc/35/23/09/352352309.db2.gz CFGXCCLMWALKJA-RNFRBKRXSA-N 0 0 172.297 1.350 10 0 ADAERN CNC(=O)N(C)[C@H]1CCC[C@@H]1C 575489236 352352338 /nfs/dbraw/zinc/35/23/38/352352338.db2.gz CXIYADQJVGKMEU-YUMQZZPRSA-N 0 0 170.256 1.446 10 0 ADAERN CNC(=O)N(C)[C@@H]1CCC[C@H]1C 575489233 352352346 /nfs/dbraw/zinc/35/23/46/352352346.db2.gz CXIYADQJVGKMEU-HTQZYQBOSA-N 0 0 170.256 1.446 10 0 ADAERN C[C@@H]1CCCCC[C@@]12COC(N)=N2 575489192 352352384 /nfs/dbraw/zinc/35/23/84/352352384.db2.gz BHPLDZDVGWSBKX-PSASIEDQSA-N 0 0 182.267 1.880 10 0 ADAERN C[C@H]1CCCCC[C@]12COC(N)=N2 575489195 352352430 /nfs/dbraw/zinc/35/24/30/352352430.db2.gz BHPLDZDVGWSBKX-WPRPVWTQSA-N 0 0 182.267 1.880 10 0 ADAERN C[C@@H]1CCCCC[C@]12COC(N)=N2 575489193 352352457 /nfs/dbraw/zinc/35/24/57/352352457.db2.gz BHPLDZDVGWSBKX-SCZZXKLOSA-N 0 0 182.267 1.880 10 0 ADAERN CNC(=O)N(C)[C@H]1CCC[C@H]1C 575489235 352352474 /nfs/dbraw/zinc/35/24/74/352352474.db2.gz CXIYADQJVGKMEU-SFYZADRCSA-N 0 0 170.256 1.446 10 0 ADAERN CNC(=O)N(C)[C@@H]1CCC[C@@H]1C 575489234 352352578 /nfs/dbraw/zinc/35/25/78/352352578.db2.gz CXIYADQJVGKMEU-JGVFFNPUSA-N 0 0 170.256 1.446 10 0 ADAERN CC(C)C(C)(C)N1CCNC1=O 575489277 352352607 /nfs/dbraw/zinc/35/26/07/352352607.db2.gz AWRGNUKMJFWAKR-UHFFFAOYSA-N 0 0 170.256 1.446 10 0 ADAERN C[C@@H]1CCC[C@@H]1N(C)C(N)=S 575489216 352352662 /nfs/dbraw/zinc/35/26/62/352352662.db2.gz CFGXCCLMWALKJA-RQJHMYQMSA-N 0 0 172.297 1.350 10 0 ADAERN C[C@H]1CCC[C@H]1N(C)C(N)=S 575489214 352352680 /nfs/dbraw/zinc/35/26/80/352352680.db2.gz CFGXCCLMWALKJA-NKWVEPMBSA-N 0 0 172.297 1.350 10 0 ADAERN C[C@H]1CCCCC[C@@]12COC(N)=N2 575489194 352352736 /nfs/dbraw/zinc/35/27/36/352352736.db2.gz BHPLDZDVGWSBKX-WCBMZHEXSA-N 0 0 182.267 1.880 10 0 ADAERN C[C@H]1CCC[C@@H]1N(C)C(N)=S 575489213 352352742 /nfs/dbraw/zinc/35/27/42/352352742.db2.gz CFGXCCLMWALKJA-BQBZGAKWSA-N 0 0 172.297 1.350 10 0 ADAERN CC(C)(C)n1cc(C(N)=S)cn1 575489361 352353189 /nfs/dbraw/zinc/35/31/89/352353189.db2.gz HOPWSZUTHPYQDB-UHFFFAOYSA-N 0 0 183.280 1.272 10 0 ADAERN CC(C)C(C)(C)N1CCCNC1=O 575489411 352353202 /nfs/dbraw/zinc/35/32/02/352353202.db2.gz CXGRWPLHOJALBO-UHFFFAOYSA-N 0 0 184.283 1.836 10 0 ADAERN C[C@@H](NC=O)C1CCC(F)(F)CC1 575489477 352353809 /nfs/dbraw/zinc/35/38/09/352353809.db2.gz JFHAUCWUHRKJQX-SSDOTTSWSA-N 0 0 191.221 1.946 10 0 ADAERN C[C@H](NC=O)C1CCC(F)(F)CC1 575489479 352353832 /nfs/dbraw/zinc/35/38/32/352353832.db2.gz JFHAUCWUHRKJQX-ZETCQYMHSA-N 0 0 191.221 1.946 10 0 ADAERN O=CNC1CC(c2ccccc2)C1 575489566 352354170 /nfs/dbraw/zinc/35/41/70/352354170.db2.gz GWDXGVYKQMVIKA-UHFFFAOYSA-N 0 0 175.231 1.679 10 0 ADAERN CC[C@H]1CCCCC[C@]1([NH3+])C(=O)[O-] 575489756 352354533 /nfs/dbraw/zinc/35/45/33/352354533.db2.gz LNQLDOFQXGYXON-WCBMZHEXSA-N 0 0 185.267 1.759 10 0 ADAERN CC[C@@H]1CCCCC[C@]1([NH3+])C(=O)[O-] 575489751 352354555 /nfs/dbraw/zinc/35/45/55/352354555.db2.gz LNQLDOFQXGYXON-PSASIEDQSA-N 0 0 185.267 1.759 10 0 ADAERN CNC(=S)N(C)[C@@H]1CCC[C@@H]1C 575489765 352354649 /nfs/dbraw/zinc/35/46/49/352354649.db2.gz MBMOJNZGFZAONY-JGVFFNPUSA-N 0 0 186.324 1.611 10 0 ADAERN CC[C@H]1CCCCC[C@@]1([NH3+])C(=O)[O-] 575489757 352354663 /nfs/dbraw/zinc/35/46/63/352354663.db2.gz LNQLDOFQXGYXON-WPRPVWTQSA-N 0 0 185.267 1.759 10 0 ADAERN CNC(=S)N(C)[C@H]1CCC[C@@H]1C 575489770 352354706 /nfs/dbraw/zinc/35/47/06/352354706.db2.gz MBMOJNZGFZAONY-YUMQZZPRSA-N 0 0 186.324 1.611 10 0 ADAERN CNC(=S)N(C)[C@@H]1CCC[C@H]1C 575489763 352354708 /nfs/dbraw/zinc/35/47/08/352354708.db2.gz MBMOJNZGFZAONY-HTQZYQBOSA-N 0 0 186.324 1.611 10 0 ADAERN CC[C@@H]1CCCCC[C@@]1([NH3+])C(=O)[O-] 575489755 352354721 /nfs/dbraw/zinc/35/47/21/352354721.db2.gz LNQLDOFQXGYXON-SCZZXKLOSA-N 0 0 185.267 1.759 10 0 ADAERN CNC(=S)N(C)[C@H]1CCC[C@H]1C 575489769 352354766 /nfs/dbraw/zinc/35/47/66/352354766.db2.gz MBMOJNZGFZAONY-SFYZADRCSA-N 0 0 186.324 1.611 10 0 ADAERN CC[C@H]1CCCCC[C@@]1(O)C(N)=O 575489843 352355251 /nfs/dbraw/zinc/35/52/51/352355251.db2.gz OEEHXDJQPWFECU-WPRPVWTQSA-N 0 0 185.267 1.193 10 0 ADAERN C[C@H]1CCC[C@@H]1N(C)C(N)=O 575489939 352355314 /nfs/dbraw/zinc/35/53/14/352355314.db2.gz QDEKTPCYHXPHBK-BQBZGAKWSA-N 0 0 156.229 1.186 10 0 ADAERN C[C@@H]1CCC[C@H]1N(C)C(N)=O 575489950 352355403 /nfs/dbraw/zinc/35/54/03/352355403.db2.gz QDEKTPCYHXPHBK-RNFRBKRXSA-N 0 0 156.229 1.186 10 0 ADAERN CC[C@@H]1CCCCC[C@@]1(O)C(N)=O 575489839 352355454 /nfs/dbraw/zinc/35/54/54/352355454.db2.gz OEEHXDJQPWFECU-SCZZXKLOSA-N 0 0 185.267 1.193 10 0 ADAERN CC[C@H]1CCCCC[C@]1(O)C(N)=O 575489842 352355506 /nfs/dbraw/zinc/35/55/06/352355506.db2.gz OEEHXDJQPWFECU-WCBMZHEXSA-N 0 0 185.267 1.193 10 0 ADAERN C[C@H]1CCC[C@H]1N(C)C(N)=O 575489946 352355530 /nfs/dbraw/zinc/35/55/30/352355530.db2.gz QDEKTPCYHXPHBK-NKWVEPMBSA-N 0 0 156.229 1.186 10 0 ADAERN c1cc2c(s1)CCNC21COC1 575489982 352355563 /nfs/dbraw/zinc/35/55/63/352355563.db2.gz QJLOGBFTRXKOAU-UHFFFAOYSA-N 0 0 181.260 1.119 10 0 ADAERN CC[C@@H]1CCCCC[C@]1(O)C(N)=O 575489838 352355571 /nfs/dbraw/zinc/35/55/71/352355571.db2.gz OEEHXDJQPWFECU-PSASIEDQSA-N 0 0 185.267 1.193 10 0 ADAERN C[C@@H]1CCC[C@@H]1N(C)C(N)=O 575489977 352355594 /nfs/dbraw/zinc/35/55/94/352355594.db2.gz QDEKTPCYHXPHBK-RQJHMYQMSA-N 0 0 156.229 1.186 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCCCC[C@H]1C 575490200 352356002 /nfs/dbraw/zinc/35/60/02/352356002.db2.gz ZHPBFWPLGUMQRY-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)(C)Nc1cc(F)nc(F)n1 575490096 352356146 /nfs/dbraw/zinc/35/61/46/352356146.db2.gz VKECAJXOCLAMMM-UHFFFAOYSA-N 0 0 187.193 1.965 10 0 ADAERN C[C@@H]1CCCCC[C@@]12CC(=O)N2 575490052 352356224 /nfs/dbraw/zinc/35/62/24/352356224.db2.gz SHZPRTTYKZWEEQ-PSASIEDQSA-N 0 0 167.252 1.845 10 0 ADAERN C[C@H]1CCCCC[C@@]12CC(=O)N2 575490054 352356231 /nfs/dbraw/zinc/35/62/31/352356231.db2.gz SHZPRTTYKZWEEQ-WCBMZHEXSA-N 0 0 167.252 1.845 10 0 ADAERN C[C@H]1CCCCC[C@]12CC(=O)N2 575490055 352356257 /nfs/dbraw/zinc/35/62/57/352356257.db2.gz SHZPRTTYKZWEEQ-WPRPVWTQSA-N 0 0 167.252 1.845 10 0 ADAERN C[C@@H]1CCCCC[C@]12CC(=O)N2 575490053 352356264 /nfs/dbraw/zinc/35/62/64/352356264.db2.gz SHZPRTTYKZWEEQ-SCZZXKLOSA-N 0 0 167.252 1.845 10 0 ADAERN CC1(Nc2cc(F)nc(F)n2)CC1 575490123 352356284 /nfs/dbraw/zinc/35/62/84/352356284.db2.gz XNRFTNSRIZBJGO-UHFFFAOYSA-N 0 0 185.177 1.719 10 0 ADAERN FC1(c2cnc(C3CC3)s2)CNC1 575490177 352356290 /nfs/dbraw/zinc/35/62/90/352356290.db2.gz ADWYVZQFFLXTBE-UHFFFAOYSA-N 0 0 198.266 1.789 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCCCC[C@@H]1C 575490204 352356645 /nfs/dbraw/zinc/35/66/45/352356645.db2.gz ZHPBFWPLGUMQRY-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCCCC[C@H]1C 575490203 352356653 /nfs/dbraw/zinc/35/66/53/352356653.db2.gz ZHPBFWPLGUMQRY-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN CC1CC(C(=O)c2cncnc2)C1 575490322 352356744 /nfs/dbraw/zinc/35/67/44/352356744.db2.gz COOWRQZKFOJZDB-UHFFFAOYSA-N 0 0 176.219 1.705 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCCCC[C@@H]1C 575490205 352356852 /nfs/dbraw/zinc/35/68/52/352356852.db2.gz ZHPBFWPLGUMQRY-WPRPVWTQSA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)C(C)(C)N1CC(=O)CC1=O 575490280 352356889 /nfs/dbraw/zinc/35/68/89/352356889.db2.gz JFSUTMGGVFQWDL-UHFFFAOYSA-N 0 0 183.251 1.222 10 0 ADAERN Cc1ncc(-c2cncc(N)n2)s1 575490350 352357282 /nfs/dbraw/zinc/35/72/82/352357282.db2.gz DBRGWOQNXFGDRP-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1CC(C(=O)c2nncn2C)C1 575490458 352357691 /nfs/dbraw/zinc/35/76/91/352357691.db2.gz FLFPXSMWFGHQAF-UHFFFAOYSA-N 0 0 179.223 1.044 10 0 ADAERN Fc1cccc(NCC2CSC2)n1 575490390 352357708 /nfs/dbraw/zinc/35/77/08/352357708.db2.gz LIRDPHMGFBNBIM-UHFFFAOYSA-N 0 0 198.266 1.996 10 0 ADAERN CC1CC(C(=O)c2cnccn2)C1 575490551 352358076 /nfs/dbraw/zinc/35/80/76/352358076.db2.gz HRQBPKJXKYZBDT-UHFFFAOYSA-N 0 0 176.219 1.705 10 0 ADAERN CC1CC(C(=O)c2cn(C)nn2)C1 575490580 352358190 /nfs/dbraw/zinc/35/81/90/352358190.db2.gz HZFSBSQVBDLADC-UHFFFAOYSA-N 0 0 179.223 1.044 10 0 ADAERN Fc1cncc(NCC2CSC2)n1 575490603 352358215 /nfs/dbraw/zinc/35/82/15/352358215.db2.gz PVXWICZKFCOLOR-UHFFFAOYSA-N 0 0 199.254 1.391 10 0 ADAERN CNC(=S)NC(C)(C)C(C)C 575490647 352358231 /nfs/dbraw/zinc/35/82/31/352358231.db2.gz QQZKWUIOWQDQPJ-UHFFFAOYSA-N 0 0 174.313 1.515 10 0 ADAERN Cc1ncc(C(=O)C(F)F)s1 575490596 352358262 /nfs/dbraw/zinc/35/82/62/352358262.db2.gz IHOLNIOHFIQKAL-UHFFFAOYSA-N 0 0 177.175 1.899 10 0 ADAERN CC1CC(C(=O)c2ncnn2C)C1 575490718 352358643 /nfs/dbraw/zinc/35/86/43/352358643.db2.gz KRDGCHNLZZFMBR-UHFFFAOYSA-N 0 0 179.223 1.044 10 0 ADAERN CC1CC(C(=O)c2cn(C)cn2)C1 575490751 352358801 /nfs/dbraw/zinc/35/88/01/352358801.db2.gz LILZGROEMROGLJ-UHFFFAOYSA-N 0 0 178.235 1.649 10 0 ADAERN CC1CC(C(=O)c2nccn2C)C1 575490707 352358958 /nfs/dbraw/zinc/35/89/58/352358958.db2.gz JXSCAPGNIUHIBL-UHFFFAOYSA-N 0 0 178.235 1.649 10 0 ADAERN Cc1ncc(C2(F)CNC2)s1 575490692 352358969 /nfs/dbraw/zinc/35/89/69/352358969.db2.gz JRZSOJGJFZAUMW-UHFFFAOYSA-N 0 0 172.228 1.220 10 0 ADAERN O=C1CCN(CC2CSC2)CC1 575490877 352359327 /nfs/dbraw/zinc/35/93/27/352359327.db2.gz WJQXEAUIGUHDLG-UHFFFAOYSA-N 0 0 185.292 1.014 10 0 ADAERN CC1CC(C(=O)c2ccnn2C)C1 575490960 352359415 /nfs/dbraw/zinc/35/94/15/352359415.db2.gz POSVIWXOLIJFLT-UHFFFAOYSA-N 0 0 178.235 1.649 10 0 ADAERN Cc1ncc([C@@H]2C=CC[NH2+]2)s1 575490915 352359442 /nfs/dbraw/zinc/35/94/42/352359442.db2.gz OMPPNPKVGQSVBO-ZETCQYMHSA-N 0 0 166.249 1.652 10 0 ADAERN Cc1ncc([C@H]2C=CC[NH2+]2)s1 575490914 352359472 /nfs/dbraw/zinc/35/94/72/352359472.db2.gz OMPPNPKVGQSVBO-SSDOTTSWSA-N 0 0 166.249 1.652 10 0 ADAERN CC(C)C(C)(C)N1CCC(=O)C1=O 575490935 352359555 /nfs/dbraw/zinc/35/95/55/352359555.db2.gz XPCYBKHPJRVBNP-UHFFFAOYSA-N 0 0 183.251 1.222 10 0 ADAERN CC1CC(C(=O)c2ccn(C)n2)C1 575490924 352359625 /nfs/dbraw/zinc/35/96/25/352359625.db2.gz OUCUBWNILZRMRO-UHFFFAOYSA-N 0 0 178.235 1.649 10 0 ADAERN Cc1ncc(C(=O)C2CSC2)s1 575491109 352360647 /nfs/dbraw/zinc/36/06/47/352360647.db2.gz QWYGTKWAPYUIDW-UHFFFAOYSA-N 0 0 199.300 1.997 10 0 ADAERN CC1CC(C(=O)c2cnn(C)c2)C1 575491205 352360695 /nfs/dbraw/zinc/36/06/95/352360695.db2.gz SMCAKQMHPAGEPI-UHFFFAOYSA-N 0 0 178.235 1.649 10 0 ADAERN Cc1ncc(-c2nccnc2N)s1 575491104 352360716 /nfs/dbraw/zinc/36/07/16/352360716.db2.gz QSLXUTUVQBUFEE-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1ncc([C@@](C)(F)[C@H](C)[NH3+])s1 575491125 352360779 /nfs/dbraw/zinc/36/07/79/352360779.db2.gz RFKBMNKWEDXKAQ-XNCJUZBTSA-N 0 0 188.271 1.983 10 0 ADAERN Cc1ncc(C(=O)[C@H](C)O)s1 575491190 352360821 /nfs/dbraw/zinc/36/08/21/352360821.db2.gz RXZWDXRICMCQJA-BYPYZUCNSA-N 0 0 171.221 1.015 10 0 ADAERN Cc1ncc([C@](C)(F)[C@@H](C)[NH3+])s1 575491122 352360849 /nfs/dbraw/zinc/36/08/49/352360849.db2.gz RFKBMNKWEDXKAQ-SVGQVSJJSA-N 0 0 188.271 1.983 10 0 ADAERN Cc1ncc(C(=O)[C@@H](C)O)s1 575491193 352360956 /nfs/dbraw/zinc/36/09/56/352360956.db2.gz RXZWDXRICMCQJA-SCSAIBSYSA-N 0 0 171.221 1.015 10 0 ADAERN C=CC(=O)NCC1CC(C)C1 575491148 352360963 /nfs/dbraw/zinc/36/09/63/352360963.db2.gz COOMNNJKEQHXDL-UHFFFAOYSA-N 0 0 153.225 1.335 10 0 ADAERN Cc1ncc([C@](C)(F)[C@H](C)[NH3+])s1 575491130 352361022 /nfs/dbraw/zinc/36/10/22/352361022.db2.gz RFKBMNKWEDXKAQ-YLWLKBPMSA-N 0 0 188.271 1.983 10 0 ADAERN Cc1ncc([C@@](C)(F)[C@@H](C)[NH3+])s1 575491128 352361075 /nfs/dbraw/zinc/36/10/75/352361075.db2.gz RFKBMNKWEDXKAQ-XRGYYRRGSA-N 0 0 188.271 1.983 10 0 ADAERN Cc1ncc(-c2cnc(N)cn2)s1 575491345 352361439 /nfs/dbraw/zinc/36/14/39/352361439.db2.gz UMTLIVYGWWEHNJ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1CC(C(=O)c2cnn(C)n2)C1 575491348 352361447 /nfs/dbraw/zinc/36/14/47/352361447.db2.gz UPCFXOCDSVAUJH-UHFFFAOYSA-N 0 0 179.223 1.044 10 0 ADAERN CC1CC(C(=O)c2cnnn2C)C1 575491344 352361514 /nfs/dbraw/zinc/36/15/14/352361514.db2.gz ULGPZQOZKFOBHT-UHFFFAOYSA-N 0 0 179.223 1.044 10 0 ADAERN Cc1ncc(C(=O)C2(N)CC2)s1 575491576 352362674 /nfs/dbraw/zinc/36/26/74/352362674.db2.gz XUUDYMJIPRANJX-UHFFFAOYSA-N 0 0 182.248 1.126 10 0 ADAERN Cc1ncc(C(=O)C(C)(C)O)s1 575491491 352362964 /nfs/dbraw/zinc/36/29/64/352362964.db2.gz XFHSQKNPOQOWGN-UHFFFAOYSA-N 0 0 185.248 1.405 10 0 ADAERN CC1CC(CNc2cnnn2C)C1 575491523 352362990 /nfs/dbraw/zinc/36/29/90/352362990.db2.gz KEASGQGQULLPQT-UHFFFAOYSA-N 0 0 180.255 1.273 10 0 ADAERN Nc1ncc(-c2cncs2)cc1F 575491612 352363033 /nfs/dbraw/zinc/36/30/33/352363033.db2.gz GXEIJZAUJLQDCO-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN CCc1cnc(NC)c(F)c1 575491698 352363370 /nfs/dbraw/zinc/36/33/70/352363370.db2.gz HKZWVXDYLGZGKJ-UHFFFAOYSA-N 0 0 154.188 1.825 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cnccn1 575491707 352363659 /nfs/dbraw/zinc/36/36/59/352363659.db2.gz HTCCJEUWTJEHRM-JGVFFNPUSA-N 0 0 162.192 1.169 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cnccn1 575491709 352363662 /nfs/dbraw/zinc/36/36/62/352363662.db2.gz HTCCJEUWTJEHRM-SFYZADRCSA-N 0 0 162.192 1.169 10 0 ADAERN Cc1ncc([C@H](N)c2ncc[nH]2)s1 575491685 352363711 /nfs/dbraw/zinc/36/37/11/352363711.db2.gz YXNWSBKVAYNEKI-ZETCQYMHSA-N 0 0 194.263 1.223 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cnccn1 575491706 352363762 /nfs/dbraw/zinc/36/37/62/352363762.db2.gz HTCCJEUWTJEHRM-HTQZYQBOSA-N 0 0 162.192 1.169 10 0 ADAERN Cc1ncc([C@@H](N)c2ncc[nH]2)s1 575491684 352363832 /nfs/dbraw/zinc/36/38/32/352363832.db2.gz YXNWSBKVAYNEKI-SSDOTTSWSA-N 0 0 194.263 1.223 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cnccn1 575491710 352363840 /nfs/dbraw/zinc/36/38/40/352363840.db2.gz HTCCJEUWTJEHRM-YUMQZZPRSA-N 0 0 162.192 1.169 10 0 ADAERN CCC1C[NH+]([C@H](C)C(C)=O)C1 575491764 352364228 /nfs/dbraw/zinc/36/42/28/352364228.db2.gz JOJPKCIRAWCNBS-SSDOTTSWSA-N 0 0 155.241 1.306 10 0 ADAERN CCC1C[NH+]([C@@H](C)C(C)=O)C1 575491765 352364352 /nfs/dbraw/zinc/36/43/52/352364352.db2.gz JOJPKCIRAWCNBS-ZETCQYMHSA-N 0 0 155.241 1.306 10 0 ADAERN CC1CC(CNC#N)C1 575491811 352364397 /nfs/dbraw/zinc/36/43/97/352364397.db2.gz NTBIMSJWABHHOU-UHFFFAOYSA-N 0 0 124.187 1.103 10 0 ADAERN N#CNCC1CC2(CCC2)C1 575491790 352364404 /nfs/dbraw/zinc/36/44/04/352364404.db2.gz NPDVRBXQGIQXGU-UHFFFAOYSA-N 0 0 150.225 1.637 10 0 ADAERN CCC(=O)N[C@@H]1C=CCC1 575502267 352417116 /nfs/dbraw/zinc/41/71/16/352417116.db2.gz USMKNBXENDMPFW-SSDOTTSWSA-N 0 0 139.198 1.231 10 0 ADAERN CCSCc1onc(C)c1N 575491877 352364932 /nfs/dbraw/zinc/36/49/32/352364932.db2.gz NOISTZFVEWMIDW-UHFFFAOYSA-N 0 0 172.253 1.818 10 0 ADAERN C[C@H]1CCC[N@@H+]1C1CC(C(=O)[O-])C1 575492094 352365799 /nfs/dbraw/zinc/36/57/99/352365799.db2.gz UTHMWBVWBROXQI-UEJVZZJDSA-N 0 0 183.251 1.334 10 0 ADAERN CSCc1onc(C)c1N 575492044 352365575 /nfs/dbraw/zinc/36/55/75/352365575.db2.gz SHHWNAGTDRVONX-UHFFFAOYSA-N 0 0 158.226 1.428 10 0 ADAERN C[C@@H]1CCC[N@@H+]1C1CC(C(=O)[O-])C1 575492093 352365633 /nfs/dbraw/zinc/36/56/33/352365633.db2.gz UTHMWBVWBROXQI-AFPNSQJFSA-N 0 0 183.251 1.334 10 0 ADAERN CC1(C)COC[C@@H]1Nc1cnsc1 575492470 352367715 /nfs/dbraw/zinc/36/77/15/352367715.db2.gz HRPNFKCPIWSQAX-QMMMGPOBSA-N 0 0 198.291 1.980 10 0 ADAERN CC1(C)C[NH+](C2CC(C(=O)[O-])C2)C1 575492267 352366838 /nfs/dbraw/zinc/36/68/38/352366838.db2.gz ZBZQEBCXNSDFCZ-UHFFFAOYSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]1OC[C@@H](Nc2cnsc2)[C@H]1C 575492304 352366852 /nfs/dbraw/zinc/36/68/52/352366852.db2.gz AQIAQFYAWJEKEV-ACLDMZEESA-N 0 0 198.291 1.978 10 0 ADAERN O=C(Nc1csnn1)NC1CCC1 575492355 352366875 /nfs/dbraw/zinc/36/68/75/352366875.db2.gz CRXVWFNNMVEEIL-UHFFFAOYSA-N 0 0 198.251 1.212 10 0 ADAERN O=C(Nc1cnsc1)NC1CCC1 575492351 352366888 /nfs/dbraw/zinc/36/68/88/352366888.db2.gz CMMQVRHITICVGB-UHFFFAOYSA-N 0 0 197.263 1.817 10 0 ADAERN C[C@@H]1OC[C@@H](Nc2cnsc2)[C@@H]1C 575492305 352366896 /nfs/dbraw/zinc/36/68/96/352366896.db2.gz AQIAQFYAWJEKEV-BKPPORCPSA-N 0 0 198.291 1.978 10 0 ADAERN C[C@@H]1OC[C@H](Nc2cnsc2)[C@H]1C 575492307 352367108 /nfs/dbraw/zinc/36/71/08/352367108.db2.gz AQIAQFYAWJEKEV-ZKWXMUAHSA-N 0 0 198.291 1.978 10 0 ADAERN O=C(Nc1cnsc1)NC1CC1 575492356 352367150 /nfs/dbraw/zinc/36/71/50/352367150.db2.gz CSUJTJHOPJIXGO-UHFFFAOYSA-N 0 0 183.236 1.427 10 0 ADAERN C[C@@H]1OC[C@H](Nc2cnsc2)[C@@H]1C 575492306 352367174 /nfs/dbraw/zinc/36/71/74/352367174.db2.gz AQIAQFYAWJEKEV-FJXKBIBVSA-N 0 0 198.291 1.978 10 0 ADAERN O=C1CCOC[C@H]1Cc1ccns1 575492409 352367542 /nfs/dbraw/zinc/36/75/42/352367542.db2.gz FRNDTXCQRBQXFL-SSDOTTSWSA-N 0 0 197.259 1.291 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cnsc2)CO1 575492484 352367547 /nfs/dbraw/zinc/36/75/47/352367547.db2.gz IGFLJEPMRFWQDH-RNFRBKRXSA-N 0 0 184.264 1.732 10 0 ADAERN CCNC(=O)Nc1cnsc1 575492523 352367633 /nfs/dbraw/zinc/36/76/33/352367633.db2.gz IRLRHKJOIRWODR-UHFFFAOYSA-N 0 0 171.225 1.285 10 0 ADAERN CCC(=O)Cc1ccns1 575492467 352367650 /nfs/dbraw/zinc/36/76/50/352367650.db2.gz HQZZZKXBXDTWRG-UHFFFAOYSA-N 0 0 155.222 1.665 10 0 ADAERN CC1(C)COC[C@H]1Nc1cnsc1 575492469 352367662 /nfs/dbraw/zinc/36/76/62/352367662.db2.gz HRPNFKCPIWSQAX-MRVPVSSYSA-N 0 0 198.291 1.980 10 0 ADAERN CCNc1nc(C)ccc1CO 575492449 352367668 /nfs/dbraw/zinc/36/76/68/352367668.db2.gz ANVPNGJWRQIYNH-UHFFFAOYSA-N 0 0 166.224 1.314 10 0 ADAERN CC(C)C(=O)Cc1ccns1 575492383 352367694 /nfs/dbraw/zinc/36/76/94/352367694.db2.gz 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/nfs/dbraw/zinc/36/89/26/352368926.db2.gz RZMPUQVTBHEUBT-FBFNWGNUSA-N 0 0 183.251 1.246 10 0 ADAERN Cc1nc(Cl)nc(NC2CCC2)n1 575492684 352369047 /nfs/dbraw/zinc/36/90/47/352369047.db2.gz JFVDNJBUQDSONG-UHFFFAOYSA-N 0 0 198.657 1.798 10 0 ADAERN CC(=O)NCC1CC2(CCC2)C1 575492788 352369071 /nfs/dbraw/zinc/36/90/71/352369071.db2.gz HGKYUYFKWUHTIV-UHFFFAOYSA-N 0 0 167.252 1.703 10 0 ADAERN CNC(=S)NCC1CC2(CCC2)C1 575492749 352369197 /nfs/dbraw/zinc/36/91/97/352369197.db2.gz GMSWGFIDFHUOLE-UHFFFAOYSA-N 0 0 198.335 1.661 10 0 ADAERN CC1CC(CN2CCNC2=O)C1 575492793 352369252 /nfs/dbraw/zinc/36/92/52/352369252.db2.gz HOCPFBOCZSVMDG-UHFFFAOYSA-N 0 0 168.240 1.058 10 0 ADAERN CCC(F)(F)C(C)(C)C(N)=O 575492860 352369515 /nfs/dbraw/zinc/36/95/15/352369515.db2.gz JALYTMZQNVVJLV-UHFFFAOYSA-N 0 0 165.183 1.543 10 0 ADAERN CNC(=O)NCC1CC2(CCC2)C1 575492808 352369574 /nfs/dbraw/zinc/36/95/74/352369574.db2.gz HZJYFISAZHODHO-UHFFFAOYSA-N 0 0 182.267 1.496 10 0 ADAERN CC(=O)[C@@H](C)Cc1ccns1 575492867 352369594 /nfs/dbraw/zinc/36/95/94/352369594.db2.gz MXDUVRXVMOESCI-LURJTMIESA-N 0 0 169.249 1.911 10 0 ADAERN CC1CC(CN(C)C(N)=O)C1 575492797 352369598 /nfs/dbraw/zinc/36/95/98/352369598.db2.gz HTRDHUPTFCWCRC-UHFFFAOYSA-N 0 0 156.229 1.043 10 0 ADAERN CC(=O)[C@H](C)Cc1ccns1 575492870 352369605 /nfs/dbraw/zinc/36/96/05/352369605.db2.gz MXDUVRXVMOESCI-ZCFIWIBFSA-N 0 0 169.249 1.911 10 0 ADAERN Cc1c(N)nnn1CC1CC=CC1 575492981 352370362 /nfs/dbraw/zinc/37/03/62/352370362.db2.gz GCNOFUFWKCKVCC-UHFFFAOYSA-N 0 0 178.239 1.135 10 0 ADAERN Cc1ccc(CO)c(NC(C)C)n1 575493019 352370414 /nfs/dbraw/zinc/37/04/14/352370414.db2.gz LKSKQTVLGXZULO-UHFFFAOYSA-N 0 0 180.251 1.703 10 0 ADAERN C[C@H]1CCC[C@H](CNC#N)O1 575508187 352445298 /nfs/dbraw/zinc/44/52/98/352445298.db2.gz HLEUKOVLPHGVGX-JGVFFNPUSA-N 0 0 154.213 1.015 10 0 ADAERN c1nscc1NCC1CC1 575493141 352370864 /nfs/dbraw/zinc/37/08/64/352370864.db2.gz AYWGMSBESCJATO-UHFFFAOYSA-N 0 0 154.238 1.965 10 0 ADAERN NC(=O)NCC1CC2(CCC2)C1 575493034 352370925 /nfs/dbraw/zinc/37/09/25/352370925.db2.gz LYCARAIISLXSTG-UHFFFAOYSA-N 0 0 168.240 1.235 10 0 ADAERN CC(C)Nc1cnsc1 575493139 352371087 /nfs/dbraw/zinc/37/10/87/352371087.db2.gz AXGSVCYBGKLROT-UHFFFAOYSA-N 0 0 142.227 1.963 10 0 ADAERN CC1(C)[C@@H](O)C[C@H]1Nc1cnsc1 575493271 352371465 /nfs/dbraw/zinc/37/14/65/352371465.db2.gz DFSWFZNUJQCHFL-SFYZADRCSA-N 0 0 198.291 1.714 10 0 ADAERN Cn1nccc1CNc1cnsc1 575493243 352371484 /nfs/dbraw/zinc/37/14/84/352371484.db2.gz CRAQPJIVMZOULJ-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN c1nscc1NCC1CCOCC1 575493168 352371491 /nfs/dbraw/zinc/37/14/91/352371491.db2.gz BUYIKCPODSVCHR-UHFFFAOYSA-N 0 0 198.291 1.982 10 0 ADAERN c1nscc1NC[C@H]1CCCOC1 575493259 352371495 /nfs/dbraw/zinc/37/14/95/352371495.db2.gz CVWHSRVOPBZCFB-MRVPVSSYSA-N 0 0 198.291 1.982 10 0 ADAERN COCCNc1cnsc1 575493215 352371510 /nfs/dbraw/zinc/37/15/10/352371510.db2.gz CFWQRPOTPAJMNO-UHFFFAOYSA-N 0 0 158.226 1.201 10 0 ADAERN CC1(C)[C@@H](O)C[C@@H]1Nc1cnsc1 575493273 352371554 /nfs/dbraw/zinc/37/15/54/352371554.db2.gz DFSWFZNUJQCHFL-YUMQZZPRSA-N 0 0 198.291 1.714 10 0 ADAERN c1nscc1NC[C@@H]1CCCOC1 575493261 352371577 /nfs/dbraw/zinc/37/15/77/352371577.db2.gz CVWHSRVOPBZCFB-QMMMGPOBSA-N 0 0 198.291 1.982 10 0 ADAERN CC1(C)[C@H](O)C[C@H]1Nc1cnsc1 575493267 352371704 /nfs/dbraw/zinc/37/17/04/352371704.db2.gz DFSWFZNUJQCHFL-HTQZYQBOSA-N 0 0 198.291 1.714 10 0 ADAERN CC1(CNc2cnsc2)COC1 575493396 352372009 /nfs/dbraw/zinc/37/20/09/352372009.db2.gz GOKRSAZLTSXSMN-UHFFFAOYSA-N 0 0 184.264 1.592 10 0 ADAERN Cn1cncc1CNc1cnsc1 575493345 352372019 /nfs/dbraw/zinc/37/20/19/352372019.db2.gz FIFCVBMGWMTZMT-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN N#CNc1ccc2c(c1)CCCN2 575493411 352372098 /nfs/dbraw/zinc/37/20/98/352372098.db2.gz BYMRCEORONSBFM-UHFFFAOYSA-N 0 0 173.219 1.938 10 0 ADAERN C[C@H](Nc1cnsc1)[C@H]1CCOC1 575493416 352372144 /nfs/dbraw/zinc/37/21/44/352372144.db2.gz HETSDGBHJZDHLK-YUMQZZPRSA-N 0 0 198.291 1.980 10 0 ADAERN N#CN1CCCc2c(N)cccc21 575493374 352372211 /nfs/dbraw/zinc/37/22/11/352372211.db2.gz AAHXOUSJCASRNY-UHFFFAOYSA-N 0 0 173.219 1.502 10 0 ADAERN Cn1ccc(CNc2cnsc2)n1 575493302 352372242 /nfs/dbraw/zinc/37/22/42/352372242.db2.gz QIRHVLXLPCXSFQ-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN CO[C@H](C)CNc1cnsc1 575493332 352372329 /nfs/dbraw/zinc/37/23/29/352372329.db2.gz RBPPBXRISATTTH-ZCFIWIBFSA-N 0 0 172.253 1.590 10 0 ADAERN C[C@@H](Nc1cnsc1)[C@H]1CCOC1 575493415 352372357 /nfs/dbraw/zinc/37/23/57/352372357.db2.gz HETSDGBHJZDHLK-SFYZADRCSA-N 0 0 198.291 1.980 10 0 ADAERN C[C@@H](Nc1cnsc1)[C@@H]1CCOC1 575493412 352372392 /nfs/dbraw/zinc/37/23/92/352372392.db2.gz HETSDGBHJZDHLK-HTQZYQBOSA-N 0 0 198.291 1.980 10 0 ADAERN c1nscc1NC1CC1 575493421 352372395 /nfs/dbraw/zinc/37/23/95/352372395.db2.gz HPSPJVDXYWSFJB-UHFFFAOYSA-N 0 0 140.211 1.717 10 0 ADAERN CO[C@@H](C)CNc1cnsc1 575493330 352372419 /nfs/dbraw/zinc/37/24/19/352372419.db2.gz RBPPBXRISATTTH-LURJTMIESA-N 0 0 172.253 1.590 10 0 ADAERN C[C@H](Nc1cnsc1)[C@@H]1CCOC1 575493413 352372434 /nfs/dbraw/zinc/37/24/34/352372434.db2.gz HETSDGBHJZDHLK-JGVFFNPUSA-N 0 0 198.291 1.980 10 0 ADAERN CC1CC(CN2CCCNC2=O)C1 575493502 352372823 /nfs/dbraw/zinc/37/28/23/352372823.db2.gz PLKHVLQAJGOFOA-UHFFFAOYSA-N 0 0 182.267 1.448 10 0 ADAERN O=C(c1ccoc1)C12CC(C[NH2+]1)C2 575493493 352372861 /nfs/dbraw/zinc/37/28/61/352372861.db2.gz OQQVNZSGAIYQJV-UHFFFAOYSA-N 0 0 177.203 1.214 10 0 ADAERN CC1CN(C(=O)c2cc(N)cs2)C1 575493494 352372877 /nfs/dbraw/zinc/37/28/77/352372877.db2.gz FZHKZODZHDHKDK-UHFFFAOYSA-N 0 0 196.275 1.422 10 0 ADAERN CC1(Nc2nc(F)ncc2N)CC1 575493519 352372882 /nfs/dbraw/zinc/37/28/82/352372882.db2.gz PQPYDDCHWRXAPA-UHFFFAOYSA-N 0 0 182.202 1.162 10 0 ADAERN c1nscc1N[C@H]1CCOC1 575493428 352372926 /nfs/dbraw/zinc/37/29/26/352372926.db2.gz IUGZWKFKRUGACJ-LURJTMIESA-N 0 0 170.237 1.344 10 0 ADAERN c1nscc1N[C@@H]1CCOC1 575493431 352373094 /nfs/dbraw/zinc/37/30/94/352373094.db2.gz IUGZWKFKRUGACJ-ZCFIWIBFSA-N 0 0 170.237 1.344 10 0 ADAERN CC1CC(CN(C)C(N)=S)C1 575493469 352373131 /nfs/dbraw/zinc/37/31/31/352373131.db2.gz NXWWSVGHCMTUTL-UHFFFAOYSA-N 0 0 172.297 1.208 10 0 ADAERN Cc1nc(Cl)nc(NC2(C)CC2)n1 575493655 352373581 /nfs/dbraw/zinc/37/35/81/352373581.db2.gz SMHDXINKZVRDOO-UHFFFAOYSA-N 0 0 198.657 1.798 10 0 ADAERN Nc1cccc([C@@H](O)C2CC2)c1F 575493585 352373616 /nfs/dbraw/zinc/37/36/16/352373616.db2.gz IRBDCYDAJAGPRS-JTQLQIEISA-N 0 0 181.210 1.851 10 0 ADAERN N#CN[C@@H]1CCc2cc(N)ccc21 575493579 352373631 /nfs/dbraw/zinc/37/36/31/352373631.db2.gz INQDXQXZHOQPGH-SNVBAGLBSA-N 0 0 173.219 1.327 10 0 ADAERN Nc1cccc([C@H](O)C2CC2)c1F 575493598 352373727 /nfs/dbraw/zinc/37/37/27/352373727.db2.gz IRBDCYDAJAGPRS-SNVBAGLBSA-N 0 0 181.210 1.851 10 0 ADAERN N#CN[C@H]1CCc2cc(N)ccc21 575493569 352373819 /nfs/dbraw/zinc/37/38/19/352373819.db2.gz INQDXQXZHOQPGH-JTQLQIEISA-N 0 0 173.219 1.327 10 0 ADAERN c1c[nH]c(CNc2cnsc2)n1 575493755 352374160 /nfs/dbraw/zinc/37/41/60/352374160.db2.gz LMNNWEACPQNGFU-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN Cc1nc(Cl)nc(N[C@@H]2C[C@@H]2C)n1 575493744 352374199 /nfs/dbraw/zinc/37/41/99/352374199.db2.gz UBPMYHOWVREDTD-UJURSFKZSA-N 0 0 198.657 1.654 10 0 ADAERN Cc1nc(Cl)nc(N[C@@H]2C[C@H]2C)n1 575493735 352374315 /nfs/dbraw/zinc/37/43/15/352374315.db2.gz UBPMYHOWVREDTD-INEUFUBQSA-N 0 0 198.657 1.654 10 0 ADAERN Cc1nc(Cl)nc(N[C@H]2C[C@H]2C)n1 575493745 352374421 /nfs/dbraw/zinc/37/44/21/352374421.db2.gz UBPMYHOWVREDTD-XINAWCOVSA-N 0 0 198.657 1.654 10 0 ADAERN Cc1nc(Cl)nc(N[C@H]2C[C@@H]2C)n1 575493742 352374514 /nfs/dbraw/zinc/37/45/14/352374514.db2.gz UBPMYHOWVREDTD-NJGYIYPDSA-N 0 0 198.657 1.654 10 0 ADAERN C[C@@H]1COCC[C@H]1Nc1cnsc1 575493880 352374807 /nfs/dbraw/zinc/37/48/07/352374807.db2.gz PEIDHAWRQLUCBU-VXNVDRBHSA-N 0 0 198.291 1.980 10 0 ADAERN C[C@H]1COCC[C@H]1Nc1cnsc1 575493879 352374813 /nfs/dbraw/zinc/37/48/13/352374813.db2.gz PEIDHAWRQLUCBU-IONNQARKSA-N 0 0 198.291 1.980 10 0 ADAERN O=C1NCCC[C@H]1Cc1ccns1 575493886 352374847 /nfs/dbraw/zinc/37/48/47/352374847.db2.gz VHOJZNSZFXAGGJ-ZETCQYMHSA-N 0 0 196.275 1.212 10 0 ADAERN c1nc(CNc2cnsc2)c[nH]1 575493857 352374887 /nfs/dbraw/zinc/37/48/87/352374887.db2.gz NZYWQTHCGKBOFC-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN Cc1cnc(F)nc1NC1(C)CC1 575493827 352374930 /nfs/dbraw/zinc/37/49/30/352374930.db2.gz UZHPLFUJSPDGKY-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN c1nscc1NC1CCOCC1 575493807 352374962 /nfs/dbraw/zinc/37/49/62/352374962.db2.gz NBLXYOMCPVVCGN-UHFFFAOYSA-N 0 0 184.264 1.734 10 0 ADAERN C[C@H]1COCC[C@@H]1Nc1cnsc1 575493877 352374993 /nfs/dbraw/zinc/37/49/93/352374993.db2.gz PEIDHAWRQLUCBU-CBAPKCEASA-N 0 0 198.291 1.980 10 0 ADAERN c1cnc(CNc2cnsc2)cn1 575493855 352375171 /nfs/dbraw/zinc/37/51/71/352375171.db2.gz NZLWLAYACUNXHJ-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN O=C1NCCC[C@@H]1Cc1ccns1 575493885 352375112 /nfs/dbraw/zinc/37/51/12/352375112.db2.gz VHOJZNSZFXAGGJ-SSDOTTSWSA-N 0 0 196.275 1.212 10 0 ADAERN CCCNc1cnsc1 575493863 352375122 /nfs/dbraw/zinc/37/51/22/352375122.db2.gz OPDUHNFVYLNSPB-UHFFFAOYSA-N 0 0 142.227 1.965 10 0 ADAERN C[C@@H]1COCC[C@@H]1Nc1cnsc1 575493875 352375159 /nfs/dbraw/zinc/37/51/59/352375159.db2.gz PEIDHAWRQLUCBU-APPZFPTMSA-N 0 0 198.291 1.980 10 0 ADAERN C[C@H](O)c1c(F)ccc(N)c1F 575493980 352375559 /nfs/dbraw/zinc/37/55/59/352375559.db2.gz MRYJQLDWIZUALU-BYPYZUCNSA-N 0 0 173.162 1.600 10 0 ADAERN C[C@@H](O)c1c(F)ccc(N)c1F 575493982 352375575 /nfs/dbraw/zinc/37/55/75/352375575.db2.gz MRYJQLDWIZUALU-SCSAIBSYSA-N 0 0 173.162 1.600 10 0 ADAERN c1nscc1NC[C@H]1CCCO1 575493936 352375615 /nfs/dbraw/zinc/37/56/15/352375615.db2.gz QXJSXMBSSRMSJB-MRVPVSSYSA-N 0 0 184.264 1.734 10 0 ADAERN N#CNc1ccc2c(c1)NCCC2 575494005 352375760 /nfs/dbraw/zinc/37/57/60/352375760.db2.gz OFBUECFICSWKET-UHFFFAOYSA-N 0 0 173.219 1.938 10 0 ADAERN c1nscc1NC[C@@H]1CCCO1 575493937 352375838 /nfs/dbraw/zinc/37/58/38/352375838.db2.gz QXJSXMBSSRMSJB-QMMMGPOBSA-N 0 0 184.264 1.734 10 0 ADAERN CSCc1ccc(C)nc1N 575493953 352375916 /nfs/dbraw/zinc/37/59/16/352375916.db2.gz SIRJMSSIUFUOFO-UHFFFAOYSA-N 0 0 168.265 1.835 10 0 ADAERN CC[C@H](O)c1c(F)ccc(N)c1F 575494011 352376244 /nfs/dbraw/zinc/37/62/44/352376244.db2.gz OKTBEPYGNGUIAY-ZETCQYMHSA-N 0 0 187.189 1.990 10 0 ADAERN CC[C@@H](O)c1c(F)ccc(N)c1F 575494010 352376643 /nfs/dbraw/zinc/37/66/43/352376643.db2.gz OKTBEPYGNGUIAY-SSDOTTSWSA-N 0 0 187.189 1.990 10 0 ADAERN COC[C@@H](C)Nc1cnsc1 575494243 352377206 /nfs/dbraw/zinc/37/72/06/352377206.db2.gz XVHFSLULLGWIIR-ZCFIWIBFSA-N 0 0 172.253 1.590 10 0 ADAERN COC[C@H](C)Nc1cnsc1 575494242 352377280 /nfs/dbraw/zinc/37/72/80/352377280.db2.gz XVHFSLULLGWIIR-LURJTMIESA-N 0 0 172.253 1.590 10 0 ADAERN OC1CCC(Nc2cnsc2)CC1 575494140 352377437 /nfs/dbraw/zinc/37/74/37/352377437.db2.gz SHOAJLZABSFGMT-UHFFFAOYSA-N 0 0 198.291 1.859 10 0 ADAERN Cn1cnc(CNc2cnsc2)c1 575494284 352377888 /nfs/dbraw/zinc/37/78/88/352377888.db2.gz ZLUDEVBVCKJNGS-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN O=C1CCCN(Cc2ccns2)C1 575494299 352377972 /nfs/dbraw/zinc/37/79/72/352377972.db2.gz WZUNVFCNTXVLQR-UHFFFAOYSA-N 0 0 196.275 1.308 10 0 ADAERN C[C@H]1OCC[C@@H]1Nc1cnsc1 575494281 352378007 /nfs/dbraw/zinc/37/80/07/352378007.db2.gz ZKMKFPPWWCKRPB-SVRRBLITSA-N 0 0 184.264 1.732 10 0 ADAERN CC(C)NC(=O)Nc1cnsc1 575494300 352378045 /nfs/dbraw/zinc/37/80/45/352378045.db2.gz XBDRAHZUZRBOPP-UHFFFAOYSA-N 0 0 185.252 1.673 10 0 ADAERN C[C@@H]1OCC[C@@H]1Nc1cnsc1 575494283 352378054 /nfs/dbraw/zinc/37/80/54/352378054.db2.gz ZKMKFPPWWCKRPB-XPUUQOCRSA-N 0 0 184.264 1.732 10 0 ADAERN C[C@@H]1OCC[C@H]1Nc1cnsc1 575494280 352378059 /nfs/dbraw/zinc/37/80/59/352378059.db2.gz ZKMKFPPWWCKRPB-POYBYMJQSA-N 0 0 184.264 1.732 10 0 ADAERN C[C@H]1OCC[C@H]1Nc1cnsc1 575494278 352378067 /nfs/dbraw/zinc/37/80/67/352378067.db2.gz ZKMKFPPWWCKRPB-HTRCEHHLSA-N 0 0 184.264 1.732 10 0 ADAERN Cc1nc[nH]c1CNc1cnsc1 575494273 352378070 /nfs/dbraw/zinc/37/80/70/352378070.db2.gz ZIONFOQMNVBJGV-UHFFFAOYSA-N 0 0 194.263 1.787 10 0 ADAERN CCCNC(=O)Nc1cnsc1 575494285 352378134 /nfs/dbraw/zinc/37/81/34/352378134.db2.gz WGZDCHVZTDOCQB-UHFFFAOYSA-N 0 0 185.252 1.675 10 0 ADAERN N#CN1CCCc2cc(N)ccc21 575494419 352378141 /nfs/dbraw/zinc/37/81/41/352378141.db2.gz RLGKHMTWBXKPMT-UHFFFAOYSA-N 0 0 173.219 1.502 10 0 ADAERN N#CN1CCc2cccc(N)c2C1 575494510 352378889 /nfs/dbraw/zinc/37/88/89/352378889.db2.gz UNOVVUXPSMFQRW-UHFFFAOYSA-N 0 0 173.219 1.108 10 0 ADAERN CC(=O)CC(=O)Nc1cnsc1 575494497 352378979 /nfs/dbraw/zinc/37/89/79/352378979.db2.gz ZSBCHUHFVMENFX-UHFFFAOYSA-N 0 0 184.220 1.061 10 0 ADAERN CC[C@H]1C[C@@H](COC)CC1=O 575494612 352379320 /nfs/dbraw/zinc/37/93/20/352379320.db2.gz VHXJWRANWYDLRU-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@H]1C[C@H](COC)CC1=O 575494615 352379434 /nfs/dbraw/zinc/37/94/34/352379434.db2.gz VHXJWRANWYDLRU-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@@H]1C[C@H](COC)CC1=O 575494603 352379534 /nfs/dbraw/zinc/37/95/34/352379534.db2.gz VHXJWRANWYDLRU-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN CC[C@@H]1C[C@@H](COC)CC1=O 575494598 352379606 /nfs/dbraw/zinc/37/96/06/352379606.db2.gz VHXJWRANWYDLRU-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN N#CN1CCCNc2ccccc21 575494682 352380102 /nfs/dbraw/zinc/38/01/02/352380102.db2.gz WZZXYSCVAQGWGJ-UHFFFAOYSA-N 0 0 173.219 1.790 10 0 ADAERN Nc1ccc(F)c([C@H](O)C2CC2)c1 575494702 352380115 /nfs/dbraw/zinc/38/01/15/352380115.db2.gz PHZZERNKIPXVPZ-SNVBAGLBSA-N 0 0 181.210 1.851 10 0 ADAERN N#CN1CCc2c(N)cccc2C1 575494681 352380120 /nfs/dbraw/zinc/38/01/20/352380120.db2.gz WWNIGTOLDVTRKU-UHFFFAOYSA-N 0 0 173.219 1.108 10 0 ADAERN CC[C@H](O)c1cccc(N)c1F 575494723 352380133 /nfs/dbraw/zinc/38/01/33/352380133.db2.gz YCPDGNPYCXFRFP-QMMMGPOBSA-N 0 0 169.199 1.851 10 0 ADAERN CC[C@@H](O)c1cccc(N)c1F 575494722 352380189 /nfs/dbraw/zinc/38/01/89/352380189.db2.gz YCPDGNPYCXFRFP-MRVPVSSYSA-N 0 0 169.199 1.851 10 0 ADAERN Nc1ccc(F)c([C@@H](O)C2CC2)c1 575494701 352380231 /nfs/dbraw/zinc/38/02/31/352380231.db2.gz PHZZERNKIPXVPZ-JTQLQIEISA-N 0 0 181.210 1.851 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@H]1C[C@@H](C(=O)[O-])C1 575494981 352380923 /nfs/dbraw/zinc/38/09/23/352380923.db2.gz UTHMWBVWBROXQI-XHNCKOQMSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CCC[N@@H+]1[C@H]1C[C@@H](C(=O)[O-])C1 575494980 352380952 /nfs/dbraw/zinc/38/09/52/352380952.db2.gz UTHMWBVWBROXQI-HLTSFMKQSA-N 0 0 183.251 1.334 10 0 ADAERN CC[C@H](O)c1cc(N)ccc1F 575495062 352381524 /nfs/dbraw/zinc/38/15/24/352381524.db2.gz WHHNSOXEPRUODX-VIFPVBQESA-N 0 0 169.199 1.851 10 0 ADAERN CC[C@@H](O)c1cc(N)ccc1F 575495061 352381719 /nfs/dbraw/zinc/38/17/19/352381719.db2.gz WHHNSOXEPRUODX-SECBINFHSA-N 0 0 169.199 1.851 10 0 ADAERN C[C@H](O)[C@H](C)c1ccc(N)cc1 575495113 352381942 /nfs/dbraw/zinc/38/19/42/352381942.db2.gz WSTJPCSIDIWQNV-YUMQZZPRSA-N 0 0 165.236 1.753 10 0 ADAERN C[C@H](O)[C@@H](C)c1ccc(N)cc1 575495111 352382030 /nfs/dbraw/zinc/38/20/30/352382030.db2.gz WSTJPCSIDIWQNV-SFYZADRCSA-N 0 0 165.236 1.753 10 0 ADAERN CC[C@@H](O)[C@@](C)(N)C(F)(F)F 575495148 352382056 /nfs/dbraw/zinc/38/20/56/352382056.db2.gz XLGIXNRWCPLFSN-RFZPGFLSSA-N 0 0 171.162 1.037 10 0 ADAERN CC[C@@H](O)[C@](C)(N)C(F)(F)F 575495153 352382079 /nfs/dbraw/zinc/38/20/79/352382079.db2.gz XLGIXNRWCPLFSN-UHNVWZDZSA-N 0 0 171.162 1.037 10 0 ADAERN C[C@@H](O)[C@H](C)c1ccc(N)cc1 575495110 352382082 /nfs/dbraw/zinc/38/20/82/352382082.db2.gz WSTJPCSIDIWQNV-JGVFFNPUSA-N 0 0 165.236 1.753 10 0 ADAERN CC[C@H](O)[C@@](C)(N)C(F)(F)F 575495147 352382116 /nfs/dbraw/zinc/38/21/16/352382116.db2.gz XLGIXNRWCPLFSN-CRCLSJGQSA-N 0 0 171.162 1.037 10 0 ADAERN CC[C@H](O)[C@](C)(N)C(F)(F)F 575495154 352382127 /nfs/dbraw/zinc/38/21/27/352382127.db2.gz XLGIXNRWCPLFSN-WHFBIAKZSA-N 0 0 171.162 1.037 10 0 ADAERN Cc1cc([C@H](C)O)ccc1N 575495288 352382130 /nfs/dbraw/zinc/38/21/30/352382130.db2.gz YLUXITSWWKQGMK-ZETCQYMHSA-N 0 0 151.209 1.631 10 0 ADAERN C[C@@H](c1ccc(N)cc1)[C@@H](C)O 575495109 352382155 /nfs/dbraw/zinc/38/21/55/352382155.db2.gz WSTJPCSIDIWQNV-HTQZYQBOSA-N 0 0 165.236 1.753 10 0 ADAERN Cc1cc([C@@H](C)O)ccc1N 575495287 352382193 /nfs/dbraw/zinc/38/21/93/352382193.db2.gz YLUXITSWWKQGMK-SSDOTTSWSA-N 0 0 151.209 1.631 10 0 ADAERN N#CNC[C@@H]1CCC2(CCCC2)O1 575495757 352382767 /nfs/dbraw/zinc/38/27/67/352382767.db2.gz ARPKYPZAPAVKCQ-VIFPVBQESA-N 0 0 180.251 1.549 10 0 ADAERN N#CNC[C@H]1CCC2(CCCC2)O1 575495756 352382783 /nfs/dbraw/zinc/38/27/83/352382783.db2.gz ARPKYPZAPAVKCQ-SECBINFHSA-N 0 0 180.251 1.549 10 0 ADAERN CC1(C)C[NH+]([C@H]2C[C@@H](C(=O)[O-])C2)C1 575495318 352382802 /nfs/dbraw/zinc/38/28/02/352382802.db2.gz ZBZQEBCXNSDFCZ-OCAPTIKFSA-N 0 0 183.251 1.191 10 0 ADAERN O=C(c1c(F)cncc1F)C(F)F 575495908 352383363 /nfs/dbraw/zinc/38/33/63/352383363.db2.gz FEGJQPNQLGQSFN-UHFFFAOYSA-N 0 0 193.099 1.808 10 0 ADAERN NC(=S)[C@@H]1CCC[C@H]2C[C@H]21 575495863 352383317 /nfs/dbraw/zinc/38/33/17/352383317.db2.gz DIRRYLQAOMIPQJ-RRKCRQDMSA-N 0 0 155.266 1.709 10 0 ADAERN NC(=S)[C@@H]1CCC[C@@H]2C[C@@H]21 575495861 352383333 /nfs/dbraw/zinc/38/33/33/352383333.db2.gz DIRRYLQAOMIPQJ-QYNIQEEDSA-N 0 0 155.266 1.709 10 0 ADAERN C[S@@](=O)Cc1csc(C=O)c1 575495909 352383357 /nfs/dbraw/zinc/38/33/57/352383357.db2.gz FFKUMPUWHFPSPY-LLVKDONJSA-N 0 0 188.273 1.439 10 0 ADAERN CC(C)(C)Oc1ncnc(F)c1N 575496008 352383915 /nfs/dbraw/zinc/38/39/15/352383915.db2.gz CSPLYSMVKULWIH-UHFFFAOYSA-N 0 0 185.202 1.375 10 0 ADAERN O=C1NCCC[C@@H]1C[C@@H]1CC1(F)F 575495950 352383863 /nfs/dbraw/zinc/38/38/63/352383863.db2.gz BMXDKJZDWLLJJR-RNFRBKRXSA-N 0 0 189.205 1.558 10 0 ADAERN C[S@](=O)Cc1csc(C=O)c1 575495912 352383874 /nfs/dbraw/zinc/38/38/74/352383874.db2.gz FFKUMPUWHFPSPY-NSHDSACASA-N 0 0 188.273 1.439 10 0 ADAERN CC(C)Nc1ncnc(F)c1N 575495933 352383881 /nfs/dbraw/zinc/38/38/81/352383881.db2.gz BJCCVISIXKLENJ-UHFFFAOYSA-N 0 0 170.191 1.018 10 0 ADAERN Nc1c(F)ncnc1OC1CCC1 575496005 352383892 /nfs/dbraw/zinc/38/38/92/352383892.db2.gz COAOVUMGJCJQNP-UHFFFAOYSA-N 0 0 183.186 1.129 10 0 ADAERN O=C1NCCC[C@H]1C[C@H]1CC1(F)F 575495942 352383903 /nfs/dbraw/zinc/38/39/03/352383903.db2.gz BMXDKJZDWLLJJR-BQBZGAKWSA-N 0 0 189.205 1.558 10 0 ADAERN O=C1NCCC[C@@H]1C[C@H]1CC1(F)F 575495952 352384044 /nfs/dbraw/zinc/38/40/44/352384044.db2.gz BMXDKJZDWLLJJR-RQJHMYQMSA-N 0 0 189.205 1.558 10 0 ADAERN N[C@H](c1c(F)cncc1F)C(F)F 575495969 352384084 /nfs/dbraw/zinc/38/40/84/352384084.db2.gz GUEVUCKESVJJAP-ZCFIWIBFSA-N 0 0 194.131 1.625 10 0 ADAERN N[C@@H](c1c(F)cncc1F)C(F)F 575495968 352384160 /nfs/dbraw/zinc/38/41/60/352384160.db2.gz GUEVUCKESVJJAP-LURJTMIESA-N 0 0 194.131 1.625 10 0 ADAERN Nc1cnc(F)nc1OC1CCC1 575495978 352384193 /nfs/dbraw/zinc/38/41/93/352384193.db2.gz CDNLZVILBZPBDY-UHFFFAOYSA-N 0 0 183.186 1.129 10 0 ADAERN O=C1NCCC[C@H]1C[C@@H]1CC1(F)F 575495948 352384197 /nfs/dbraw/zinc/38/41/97/352384197.db2.gz BMXDKJZDWLLJJR-NKWVEPMBSA-N 0 0 189.205 1.558 10 0 ADAERN Nc1nc([C@@H]2CCC[C@H]3C[C@H]32)ns1 575496083 352384628 /nfs/dbraw/zinc/38/46/28/352384628.db2.gz ISANYANBUMYANI-RRKCRQDMSA-N 0 0 195.291 1.854 10 0 ADAERN O=CNC[C@@H]1CCC2(CCCC2)O1 575496241 352384684 /nfs/dbraw/zinc/38/46/84/352384684.db2.gz LBXCUJYKOVAFAY-VIFPVBQESA-N 0 0 183.251 1.224 10 0 ADAERN CC(C)(C)Nc1ncnc(F)c1N 575496132 352384695 /nfs/dbraw/zinc/38/46/95/352384695.db2.gz DVDREKWHEXDYDP-UHFFFAOYSA-N 0 0 184.218 1.408 10 0 ADAERN Nc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)ns1 575496078 352384710 /nfs/dbraw/zinc/38/47/10/352384710.db2.gz ISANYANBUMYANI-QYNIQEEDSA-N 0 0 195.291 1.854 10 0 ADAERN O=CNC[C@H]1CCC2(CCCC2)O1 575496238 352384774 /nfs/dbraw/zinc/38/47/74/352384774.db2.gz LBXCUJYKOVAFAY-SECBINFHSA-N 0 0 183.251 1.224 10 0 ADAERN CC(C)Sc1ncnc(F)c1N 575496378 352385269 /nfs/dbraw/zinc/38/52/69/352385269.db2.gz JVUKMVDDTFXDOX-UHFFFAOYSA-N 0 0 187.243 1.698 10 0 ADAERN Fc1cncc(F)c1C1(F)CNC1 575496342 352385304 /nfs/dbraw/zinc/38/53/04/352385304.db2.gz MAQUUSRXVTZAFN-UHFFFAOYSA-N 0 0 188.152 1.128 10 0 ADAERN O=C(C[C@H]1CC1(F)F)C(F)F 575496300 352385491 /nfs/dbraw/zinc/38/54/91/352385491.db2.gz HZTOGJNGKIMUKO-VKHMYHEASA-N 0 0 170.105 1.866 10 0 ADAERN CCn1cc(N)nc1Br 575496388 352385501 /nfs/dbraw/zinc/38/55/01/352385501.db2.gz MQBNLBUAWIWZOC-UHFFFAOYSA-N 0 0 190.044 1.248 10 0 ADAERN CC1(Nc2ncnc(F)c2N)CC1 575496263 352385520 /nfs/dbraw/zinc/38/55/20/352385520.db2.gz HJWOWWJAQLKBFE-UHFFFAOYSA-N 0 0 182.202 1.162 10 0 ADAERN O=C(C[C@@H]1CC1(F)F)C(F)F 575496299 352385539 /nfs/dbraw/zinc/38/55/39/352385539.db2.gz HZTOGJNGKIMUKO-GSVOUGTGSA-N 0 0 170.105 1.866 10 0 ADAERN CSCc1ccc(N)cn1 575496583 352385900 /nfs/dbraw/zinc/38/59/00/352385900.db2.gz PLCIWXCDMGYWAP-UHFFFAOYSA-N 0 0 154.238 1.527 10 0 ADAERN CC(C)N(C)c1nc(F)ncc1N 575496515 352385952 /nfs/dbraw/zinc/38/59/52/352385952.db2.gz MSESHJOIBLQNJJ-UHFFFAOYSA-N 0 0 184.218 1.043 10 0 ADAERN Nc1c(F)ncnc1NC1CCC1 575496521 352385964 /nfs/dbraw/zinc/38/59/64/352385964.db2.gz MTRQQRRPXNMTFS-UHFFFAOYSA-N 0 0 182.202 1.162 10 0 ADAERN CCSCc1ccc(N)cn1 575496516 352385998 /nfs/dbraw/zinc/38/59/98/352385998.db2.gz NWLDZWCVMOHYHH-UHFFFAOYSA-N 0 0 168.265 1.917 10 0 ADAERN 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172.249 1.240 10 0 ADAERN C[C@@H]1SCC[C@@]12CC(=O)CO2 575499818 352403845 /nfs/dbraw/zinc/40/38/45/352403845.db2.gz NEVXPOGBIXVZMP-POYBYMJQSA-N 0 0 172.249 1.240 10 0 ADAERN CC[C@H]1C[C@]2(CCO1)CC(=O)CO2 575499920 352403857 /nfs/dbraw/zinc/40/38/57/352403857.db2.gz OGAFVMXHEUZMOF-UWVGGRQHSA-N 0 0 184.235 1.304 10 0 ADAERN CC[C@@H](C)Nc1cc[nH]c(=O)c1N 575499785 352403866 /nfs/dbraw/zinc/40/38/66/352403866.db2.gz OQISEWQWWDTUHE-ZCFIWIBFSA-N 0 0 181.239 1.580 10 0 ADAERN C[C@H]1CSC[C@@]12CC(=O)CO2 575499868 352403869 /nfs/dbraw/zinc/40/38/69/352403869.db2.gz NSGSINBRJCXKRU-XPUUQOCRSA-N 0 0 172.249 1.098 10 0 ADAERN C[C@H]1C[C@@]2(CS1)CC(=O)CO2 575499799 352403888 /nfs/dbraw/zinc/40/38/88/352403888.db2.gz MYEAUXILYJFHOF-XPUUQOCRSA-N 0 0 172.249 1.240 10 0 ADAERN C[C@H]1C[C@]2(CS1)CC(=O)CO2 575499794 352403920 /nfs/dbraw/zinc/40/39/20/352403920.db2.gz MYEAUXILYJFHOF-POYBYMJQSA-N 0 0 172.249 1.240 10 0 ADAERN CC[C@@H]1C[C@@]2(CCO1)CC(=O)CO2 575499916 352404013 /nfs/dbraw/zinc/40/40/13/352404013.db2.gz OGAFVMXHEUZMOF-NXEZZACHSA-N 0 0 184.235 1.304 10 0 ADAERN C[C@H]1CSC[C@]12CC(=O)CO2 575499864 352404036 /nfs/dbraw/zinc/40/40/36/352404036.db2.gz NSGSINBRJCXKRU-POYBYMJQSA-N 0 0 172.249 1.098 10 0 ADAERN O=C1CCN(CC2CC=CC2)C1 575499953 352404519 /nfs/dbraw/zinc/40/45/19/352404519.db2.gz BBHSDCZCZKQODR-UHFFFAOYSA-N 0 0 165.236 1.227 10 0 ADAERN Nc1cccnc1[C@@H](O)C1CCC1 575500042 352404537 /nfs/dbraw/zinc/40/45/37/352404537.db2.gz CFJSUPNEGSFJQB-JTQLQIEISA-N 0 0 178.235 1.497 10 0 ADAERN Nc1cccnc1[C@H](O)C1CCC1 575500043 352404558 /nfs/dbraw/zinc/40/45/58/352404558.db2.gz CFJSUPNEGSFJQB-SNVBAGLBSA-N 0 0 178.235 1.497 10 0 ADAERN CN(C(N)=O)[C@@H]1CCC1(C)C 575499944 352404561 /nfs/dbraw/zinc/40/45/61/352404561.db2.gz IKKWHPKDMMWSBJ-ZCFIWIBFSA-N 0 0 156.229 1.186 10 0 ADAERN CC[C@H]1C[C@@]2(CCO1)CC(=O)CO2 575499925 352404758 /nfs/dbraw/zinc/40/47/58/352404758.db2.gz OGAFVMXHEUZMOF-VHSXEESVSA-N 0 0 184.235 1.304 10 0 ADAERN CN(C(N)=O)[C@H]1CCC1(C)C 575499934 352404810 /nfs/dbraw/zinc/40/48/10/352404810.db2.gz IKKWHPKDMMWSBJ-LURJTMIESA-N 0 0 156.229 1.186 10 0 ADAERN CC[C@@H]1C[C@]2(CCO1)CC(=O)CO2 575500124 352405248 /nfs/dbraw/zinc/40/52/48/352405248.db2.gz OGAFVMXHEUZMOF-ZJUUUORDSA-N 0 0 184.235 1.304 10 0 ADAERN CC1(C)CCC[C@]12CC(=O)CO2 575500127 352405335 /nfs/dbraw/zinc/40/53/35/352405335.db2.gz OGDLUQXXZOJPOB-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CC1(C)CCC[C@@]12CC(=O)CO2 575500130 352405359 /nfs/dbraw/zinc/40/53/59/352405359.db2.gz OGDLUQXXZOJPOB-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1cnccc1[C@H]1CC(=O)CO1 575500144 352405382 /nfs/dbraw/zinc/40/53/82/352405382.db2.gz OVOXCGWIPGYZGD-SNVBAGLBSA-N 0 0 177.203 1.421 10 0 ADAERN Cc1cnccc1[C@@H]1CC(=O)CO1 575500136 352405639 /nfs/dbraw/zinc/40/56/39/352405639.db2.gz OVOXCGWIPGYZGD-JTQLQIEISA-N 0 0 177.203 1.421 10 0 ADAERN Cc1occc1[C@@H]1CC(=O)CO1 575500702 352408012 /nfs/dbraw/zinc/40/80/12/352408012.db2.gz UULFWPQFPWTUDX-VIFPVBQESA-N 0 0 166.176 1.619 10 0 ADAERN C[C@@H]1CC2(CC(=O)CO2)C[C@@H](C)O1 575500231 352405964 /nfs/dbraw/zinc/40/59/64/352405964.db2.gz QEZGKCRSZJMTKF-HTQZYQBOSA-N 0 0 184.235 1.302 10 0 ADAERN C[C@H]1C[C@]2(CC(=O)CO2)C[C@@H](C)O1 575500236 352405997 /nfs/dbraw/zinc/40/59/97/352405997.db2.gz QEZGKCRSZJMTKF-MBTKJCJQSA-N 0 0 184.235 1.302 10 0 ADAERN Cc1ccc([C@H]2CC(=O)CO2)nc1 575500263 352406015 /nfs/dbraw/zinc/40/60/15/352406015.db2.gz QIXMUQMFECPNHK-SNVBAGLBSA-N 0 0 177.203 1.421 10 0 ADAERN C[C@H]1CC2(CC(=O)CO2)C[C@H](C)O1 575500238 352406029 /nfs/dbraw/zinc/40/60/29/352406029.db2.gz QEZGKCRSZJMTKF-YUMQZZPRSA-N 0 0 184.235 1.302 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)CO2)nc1 575500260 352406256 /nfs/dbraw/zinc/40/62/56/352406256.db2.gz QIXMUQMFECPNHK-JTQLQIEISA-N 0 0 177.203 1.421 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1[C@H]1CCCCO1 575500433 352406600 /nfs/dbraw/zinc/40/66/00/352406600.db2.gz MAXFWKHKUAIALX-IVZWLZJFSA-N 0 0 168.236 1.781 10 0 ADAERN Nc1cnc(N2CC[C@@H]3C[C@@H]3C2)s1 575500434 352406611 /nfs/dbraw/zinc/40/66/11/352406611.db2.gz RKLKVMSBCVXUBV-RNFRBKRXSA-N 0 0 195.291 1.572 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1[C@@H]1CCCCO1 575500430 352406671 /nfs/dbraw/zinc/40/66/71/352406671.db2.gz MAXFWKHKUAIALX-AEJSXWLSSA-N 0 0 168.236 1.781 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1CCCCO1 575500435 352406676 /nfs/dbraw/zinc/40/66/76/352406676.db2.gz MAXFWKHKUAIALX-LPEHRKFASA-N 0 0 168.236 1.781 10 0 ADAERN Nc1cnc(N2CC[C@H]3C[C@H]3C2)s1 575500420 352406689 /nfs/dbraw/zinc/40/66/89/352406689.db2.gz RKLKVMSBCVXUBV-BQBZGAKWSA-N 0 0 195.291 1.572 10 0 ADAERN Nc1c[nH]nc1C1(Cl)CC1 575500416 352406731 /nfs/dbraw/zinc/40/67/31/352406731.db2.gz DTCZSSSDXHKRGV-UHFFFAOYSA-N 0 0 157.604 1.220 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@@H]1CCCCO1 575500431 352406791 /nfs/dbraw/zinc/40/67/91/352406791.db2.gz MAXFWKHKUAIALX-GUBZILKMSA-N 0 0 168.236 1.781 10 0 ADAERN CCCNc1cc[nH]c(=O)c1N 575500608 352407326 /nfs/dbraw/zinc/40/73/26/352407326.db2.gz VIBUQKBTUUEIBK-UHFFFAOYSA-N 0 0 167.212 1.191 10 0 ADAERN CC(C)Sc1cc[nH]c(=O)c1N 575500511 352407355 /nfs/dbraw/zinc/40/73/55/352407355.db2.gz SJFHQZZZRMKCRS-UHFFFAOYSA-N 0 0 184.264 1.870 10 0 ADAERN CCC(C)(C)[C@H](C)NC=O 575500572 352407358 /nfs/dbraw/zinc/40/73/58/352407358.db2.gz UQTYKXGKTCXBAN-ZETCQYMHSA-N 0 0 143.230 1.557 10 0 ADAERN C[C@@H](c1nc(=N)n(C)[nH]1)C1CCC1 575500474 352407362 /nfs/dbraw/zinc/40/73/62/352407362.db2.gz FEWPKVNREDNATB-ZCFIWIBFSA-N 0 0 180.255 1.131 10 0 ADAERN C[C@H](c1nc(=N)n(C)[nH]1)C1CCC1 575500471 352407366 /nfs/dbraw/zinc/40/73/66/352407366.db2.gz FEWPKVNREDNATB-LURJTMIESA-N 0 0 180.255 1.131 10 0 ADAERN CC(C)CNc1cc[nH]c(=O)c1N 575500589 352407550 /nfs/dbraw/zinc/40/75/50/352407550.db2.gz VCPHDAXJVSHKKU-UHFFFAOYSA-N 0 0 181.239 1.437 10 0 ADAERN CCC(C)(C)[C@@H](C)NC=O 575500571 352407604 /nfs/dbraw/zinc/40/76/04/352407604.db2.gz UQTYKXGKTCXBAN-SSDOTTSWSA-N 0 0 143.230 1.557 10 0 ADAERN Cc1ccncc1[C@@H]1CC(=O)CO1 575500758 352407955 /nfs/dbraw/zinc/40/79/55/352407955.db2.gz VWYDVFMVKAWOQE-JTQLQIEISA-N 0 0 177.203 1.421 10 0 ADAERN Cc1ccc([C@H]2CC(=O)CO2)cn1 575500663 352407993 /nfs/dbraw/zinc/40/79/93/352407993.db2.gz UHLNFZFIUAAELF-SNVBAGLBSA-N 0 0 177.203 1.421 10 0 ADAERN O=C1CO[C@H](c2ccns2)C1 575500650 352408076 /nfs/dbraw/zinc/40/80/76/352408076.db2.gz UFAOZQJDNWUBKC-LURJTMIESA-N 0 0 169.205 1.174 10 0 ADAERN CSC1([C@@H]2CC(=O)CO2)CC1 575500647 352408091 /nfs/dbraw/zinc/40/80/91/352408091.db2.gz TZRAVJIPNGSOCJ-ZETCQYMHSA-N 0 0 172.249 1.240 10 0 ADAERN Cc1occc1[C@H]1CC(=O)CO1 575500678 352408120 /nfs/dbraw/zinc/40/81/20/352408120.db2.gz UULFWPQFPWTUDX-SECBINFHSA-N 0 0 166.176 1.619 10 0 ADAERN C[C@]1(C2CCCC2)CC(=O)CO1 575500755 352408124 /nfs/dbraw/zinc/40/81/24/352408124.db2.gz VVGMFPRKSFJJLJ-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN O=C1CO[C@@H](c2ccns2)C1 575500658 352408130 /nfs/dbraw/zinc/40/81/30/352408130.db2.gz UFAOZQJDNWUBKC-ZCFIWIBFSA-N 0 0 169.205 1.174 10 0 ADAERN FC(F)(F)CN[C@H]1C=CCC1 575500707 352408152 /nfs/dbraw/zinc/40/81/52/352408152.db2.gz VGNGGHJTYZKTSZ-LURJTMIESA-N 0 0 165.158 1.857 10 0 ADAERN Cc1ccncc1[C@H]1CC(=O)CO1 575500761 352408207 /nfs/dbraw/zinc/40/82/07/352408207.db2.gz VWYDVFMVKAWOQE-SNVBAGLBSA-N 0 0 177.203 1.421 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)CO2)cn1 575500662 352408212 /nfs/dbraw/zinc/40/82/12/352408212.db2.gz UHLNFZFIUAAELF-JTQLQIEISA-N 0 0 177.203 1.421 10 0 ADAERN CSC1([C@H]2CC(=O)CO2)CC1 575500646 352408220 /nfs/dbraw/zinc/40/82/20/352408220.db2.gz TZRAVJIPNGSOCJ-SSDOTTSWSA-N 0 0 172.249 1.240 10 0 ADAERN FC(F)(F)CN[C@@H]1C=CCC1 575500720 352408298 /nfs/dbraw/zinc/40/82/98/352408298.db2.gz VGNGGHJTYZKTSZ-ZCFIWIBFSA-N 0 0 165.158 1.857 10 0 ADAERN C[C@@]1(C2CCCC2)CC(=O)CO1 575500745 352408373 /nfs/dbraw/zinc/40/83/73/352408373.db2.gz VVGMFPRKSFJJLJ-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CC[C@@]1([C@@H]2CCOC2)CC(=O)CO1 575500782 352408794 /nfs/dbraw/zinc/40/87/94/352408794.db2.gz WLJGNNQYQRVTGE-SCZZXKLOSA-N 0 0 184.235 1.161 10 0 ADAERN CSCC[C@@H]1CC(=O)CO1 575500867 352408797 /nfs/dbraw/zinc/40/87/97/352408797.db2.gz YWGUCLKDRBWXJQ-SSDOTTSWSA-N 0 0 160.238 1.098 10 0 ADAERN Cc1ncc([C@H]2CC(=O)CO2)s1 575500851 352408799 /nfs/dbraw/zinc/40/87/99/352408799.db2.gz YKDRWXLZHGGCMW-SSDOTTSWSA-N 0 0 183.232 1.482 10 0 ADAERN CC[C@@]1(C(C)C)CC(=O)CO1 575500847 352408803 /nfs/dbraw/zinc/40/88/03/352408803.db2.gz XWCDLPPRJBRSSK-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN O=C1CCO[C@@H]([C@H]2CCCCO2)C1 575500810 352408813 /nfs/dbraw/zinc/40/88/13/352408813.db2.gz OUFNORBHHDVTDR-NXEZZACHSA-N 0 0 184.235 1.304 10 0 ADAERN CC[C@]1([C@H]2CCOC2)CC(=O)CO1 575500784 352408815 /nfs/dbraw/zinc/40/88/15/352408815.db2.gz WLJGNNQYQRVTGE-WCBMZHEXSA-N 0 0 184.235 1.161 10 0 ADAERN O=C1CCO[C@H]([C@H]2CCCCO2)C1 575500816 352408818 /nfs/dbraw/zinc/40/88/18/352408818.db2.gz OUFNORBHHDVTDR-ZJUUUORDSA-N 0 0 184.235 1.304 10 0 ADAERN O=C1CCO[C@@H]([C@@H]2CCCCO2)C1 575500814 352408897 /nfs/dbraw/zinc/40/88/97/352408897.db2.gz OUFNORBHHDVTDR-VHSXEESVSA-N 0 0 184.235 1.304 10 0 ADAERN CC[C@]1([C@@H]2CCOC2)CC(=O)CO1 575500780 352408901 /nfs/dbraw/zinc/40/89/01/352408901.db2.gz WLJGNNQYQRVTGE-PSASIEDQSA-N 0 0 184.235 1.161 10 0 ADAERN CSCC[C@H]1CC(=O)CO1 575500868 352408918 /nfs/dbraw/zinc/40/89/18/352408918.db2.gz YWGUCLKDRBWXJQ-ZETCQYMHSA-N 0 0 160.238 1.098 10 0 ADAERN C[C@H](CNC(N)=O)C1CCC1 575500852 352409044 /nfs/dbraw/zinc/40/90/44/352409044.db2.gz HUIXZAZVRHQIQM-ZCFIWIBFSA-N 0 0 156.229 1.091 10 0 ADAERN O=C1CCO[C@H]([C@@H]2CCCCO2)C1 575500812 352409068 /nfs/dbraw/zinc/40/90/68/352409068.db2.gz OUFNORBHHDVTDR-UWVGGRQHSA-N 0 0 184.235 1.304 10 0 ADAERN CC[C@@]1([C@H]2CCOC2)CC(=O)CO1 575500788 352409074 /nfs/dbraw/zinc/40/90/74/352409074.db2.gz WLJGNNQYQRVTGE-WPRPVWTQSA-N 0 0 184.235 1.161 10 0 ADAERN CC[C@]1(C(C)C)CC(=O)CO1 575500846 352409085 /nfs/dbraw/zinc/40/90/85/352409085.db2.gz XWCDLPPRJBRSSK-SECBINFHSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@@H](CNC(N)=O)C1CCC1 575500849 352409094 /nfs/dbraw/zinc/40/90/94/352409094.db2.gz HUIXZAZVRHQIQM-LURJTMIESA-N 0 0 156.229 1.091 10 0 ADAERN Cc1ncc([C@@H]2CC(=O)CO2)s1 575500853 352409102 /nfs/dbraw/zinc/40/91/02/352409102.db2.gz YKDRWXLZHGGCMW-ZETCQYMHSA-N 0 0 183.232 1.482 10 0 ADAERN O=C1CO[C@H](C2CCCC2)C1 575500913 352409580 /nfs/dbraw/zinc/40/95/80/352409580.db2.gz ZRXVFTHXQWNJPU-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN COCC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575500932 352409585 /nfs/dbraw/zinc/40/95/85/352409585.db2.gz QUVMYWJKDCJXCX-JIGDXULJSA-N 0 0 154.209 1.248 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@H]1CCCCO1 575500964 352409636 /nfs/dbraw/zinc/40/96/36/352409636.db2.gz REKLEDKZHJQLMB-HTQZYQBOSA-N 0 0 183.251 1.080 10 0 ADAERN O=C1CO[C@@H](C2CCCC2)C1 575500910 352409663 /nfs/dbraw/zinc/40/96/63/352409663.db2.gz ZRXVFTHXQWNJPU-SECBINFHSA-N 0 0 154.209 1.535 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@H]1CCCCO1 575500969 352409757 /nfs/dbraw/zinc/40/97/57/352409757.db2.gz REKLEDKZHJQLMB-SFYZADRCSA-N 0 0 183.251 1.080 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@@H]1CCCCO1 575500972 352409764 /nfs/dbraw/zinc/40/97/64/352409764.db2.gz REKLEDKZHJQLMB-YUMQZZPRSA-N 0 0 183.251 1.080 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@@H]1CCCCO1 575500966 352409775 /nfs/dbraw/zinc/40/97/75/352409775.db2.gz REKLEDKZHJQLMB-JGVFFNPUSA-N 0 0 183.251 1.080 10 0 ADAERN COC1CCC2(CC1)CC(=O)CO2 575500937 352409781 /nfs/dbraw/zinc/40/97/81/352409781.db2.gz ZYSBEBIECDKMMR-UHFFFAOYSA-N 0 0 184.235 1.304 10 0 ADAERN Nc1c(NCC2CC2)cc[nH]c1=O 575501048 352410396 /nfs/dbraw/zinc/41/03/96/352410396.db2.gz WWESIGSDWFKZTH-UHFFFAOYSA-N 0 0 179.223 1.191 10 0 ADAERN Nc1cc(N2CC[C@@H]3C[C@@H]3C2)sn1 575501125 352410348 /nfs/dbraw/zinc/41/03/48/352410348.db2.gz XSLPXAWCIWYVES-RNFRBKRXSA-N 0 0 195.291 1.572 10 0 ADAERN CC(C)[C@H]1C[C@](N)(C(F)(F)F)CO1 575501056 352410383 /nfs/dbraw/zinc/41/03/83/352410383.db2.gz IEIQGZGCSUDJPC-RNFRBKRXSA-N 0 0 197.200 1.691 10 0 ADAERN CC(C)[C@@H]1C[C@@](N)(C(F)(F)F)CO1 575501053 352410432 /nfs/dbraw/zinc/41/04/32/352410432.db2.gz IEIQGZGCSUDJPC-BQBZGAKWSA-N 0 0 197.200 1.691 10 0 ADAERN CC(C)[C@@H]1C[C@](N)(C(F)(F)F)CO1 575501054 352410438 /nfs/dbraw/zinc/41/04/38/352410438.db2.gz IEIQGZGCSUDJPC-NKWVEPMBSA-N 0 0 197.200 1.691 10 0 ADAERN CC(C)Nc1cc[nH]c(=O)c1N 575501127 352410483 /nfs/dbraw/zinc/41/04/83/352410483.db2.gz XSPYSWWNBIEUIF-UHFFFAOYSA-N 0 0 167.212 1.190 10 0 ADAERN Nc1cc(N2CC[C@H]3C[C@H]3C2)sn1 575501122 352410493 /nfs/dbraw/zinc/41/04/93/352410493.db2.gz XSLPXAWCIWYVES-BQBZGAKWSA-N 0 0 195.291 1.572 10 0 ADAERN CC(C)[C@H]1C[C@@](N)(C(F)(F)F)CO1 575501059 352410564 /nfs/dbraw/zinc/41/05/64/352410564.db2.gz IEIQGZGCSUDJPC-RQJHMYQMSA-N 0 0 197.200 1.691 10 0 ADAERN C[C@H]1C(=O)C[C@@H]1C1(Cl)CC1 575501266 352410810 /nfs/dbraw/zinc/41/08/10/352410810.db2.gz VPVIFXOHDQKNRS-RITPCOANSA-N 0 0 158.628 1.983 10 0 ADAERN CN(C(N)=O)[C@@H]1CCC12CCCC2 575501236 352410839 /nfs/dbraw/zinc/41/08/39/352410839.db2.gz UMMPGUFCISEGPM-MRVPVSSYSA-N 0 0 182.267 1.720 10 0 ADAERN NCc1nnc([C@@H]2C[C@@H]3C[C@@H]3C2)o1 575501289 352410848 /nfs/dbraw/zinc/41/08/48/352410848.db2.gz 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/nfs/dbraw/zinc/41/11/04/352411104.db2.gz XTFNNKZNMYHZDX-UHFFFAOYSA-N 0 0 160.600 1.306 10 0 ADAERN CN(C(N)=S)[C@@H]1CCC12CCCC2 575501329 352411150 /nfs/dbraw/zinc/41/11/50/352411150.db2.gz YKPMJJFMMSMMGV-MRVPVSSYSA-N 0 0 198.335 1.885 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575501230 352411159 /nfs/dbraw/zinc/41/11/59/352411159.db2.gz UBJIZERPMNEEPC-WHUPJOBBSA-N 0 0 124.183 1.622 10 0 ADAERN CN(C(N)=O)[C@H]1CCC12CCCC2 575501237 352411229 /nfs/dbraw/zinc/41/12/29/352411229.db2.gz UMMPGUFCISEGPM-QMMMGPOBSA-N 0 0 182.267 1.720 10 0 ADAERN C[C@H]1C(=O)C[C@H]1C1(Cl)CC1 575501265 352411314 /nfs/dbraw/zinc/41/13/14/352411314.db2.gz VPVIFXOHDQKNRS-PHDIDXHHSA-N 0 0 158.628 1.983 10 0 ADAERN N[C@@]1(C(F)(F)F)CO[C@@H](C2CC2)C1 575501414 352411757 /nfs/dbraw/zinc/41/17/57/352411757.db2.gz LFHBEZLXXPXRDZ-RNFRBKRXSA-N 0 0 195.184 1.445 10 0 ADAERN CN(C(N)=S)[C@H]1CCC12CCCC2 575501338 352411850 /nfs/dbraw/zinc/41/18/50/352411850.db2.gz YKPMJJFMMSMMGV-QMMMGPOBSA-N 0 0 198.335 1.885 10 0 ADAERN Nc1cc([C@@H]2C[C@@H]3C[C@@H]3C2)no1 575501367 352411898 /nfs/dbraw/zinc/41/18/98/352411898.db2.gz ZKGCHZGOQMRWGE-ZMONIFLSSA-N 0 0 164.208 1.770 10 0 ADAERN N[C@]1(C(F)(F)F)CO[C@@H](C2CC2)C1 575501415 352411964 /nfs/dbraw/zinc/41/19/64/352411964.db2.gz LFHBEZLXXPXRDZ-RQJHMYQMSA-N 0 0 195.184 1.445 10 0 ADAERN N[C@@]1(C(F)(F)F)CO[C@H](C2CC2)C1 575501413 352412006 /nfs/dbraw/zinc/41/20/06/352412006.db2.gz LFHBEZLXXPXRDZ-NKWVEPMBSA-N 0 0 195.184 1.445 10 0 ADAERN N[C@]1(C(F)(F)F)CO[C@H](C2CC2)C1 575501411 352412008 /nfs/dbraw/zinc/41/20/08/352412008.db2.gz LFHBEZLXXPXRDZ-BQBZGAKWSA-N 0 0 195.184 1.445 10 0 ADAERN C[C@]1(c2ccncc2)CC(=O)CO1 575501746 352413509 /nfs/dbraw/zinc/41/35/09/352413509.db2.gz GJQMGXXPEVLIBT-SNVBAGLBSA-N 0 0 177.203 1.286 10 0 ADAERN O=C1CO[C@@H](c2cccc(F)c2)C1 575501581 352412544 /nfs/dbraw/zinc/41/25/44/352412544.db2.gz BEEFJFWIARUQMY-SNVBAGLBSA-N 0 0 180.178 1.856 10 0 ADAERN CC1([C@]2(C)CC(=O)CO2)CC1 575501528 352412562 /nfs/dbraw/zinc/41/25/62/352412562.db2.gz 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/nfs/dbraw/zinc/41/26/76/352412676.db2.gz ASRGEJQEAZJXND-XPUUQOCRSA-N 0 0 142.198 1.391 10 0 ADAERN CC1([C@H]2CC(=O)CO2)CCCC1 575501743 352413287 /nfs/dbraw/zinc/41/32/87/352413287.db2.gz GJHDUQZFWQJFKL-SECBINFHSA-N 0 0 168.236 1.925 10 0 ADAERN CCC[C@@H](C)[C@@H]1CC(=O)CO1 575501656 352413303 /nfs/dbraw/zinc/41/33/03/352413303.db2.gz DALUYWVAAMJBIN-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@]1(C[C@H]2CCOC2)CC(=O)CO1 575501603 352413321 /nfs/dbraw/zinc/41/33/21/352413321.db2.gz CGDLVBPTBXZZHC-SCZZXKLOSA-N 0 0 184.235 1.161 10 0 ADAERN CC1(C)CC2(CC(=O)CO2)C1 575501724 352413338 /nfs/dbraw/zinc/41/33/38/352413338.db2.gz FMCKZPRFQQTWAG-UHFFFAOYSA-N 0 0 154.209 1.535 10 0 ADAERN C[C@@]1(c2ccccn2)CC(=O)CO1 575501728 352413346 /nfs/dbraw/zinc/41/33/46/352413346.db2.gz FUQAZKZSMXHVSW-JTQLQIEISA-N 0 0 177.203 1.286 10 0 ADAERN CC[C@]1(C2CC2)CC(=O)CO1 575501726 352413393 /nfs/dbraw/zinc/41/33/93/352413393.db2.gz FULOYDKMYMSOJK-SECBINFHSA-N 0 0 154.209 1.535 10 0 ADAERN CCC[C@H](C)[C@@H]1CC(=O)CO1 575501658 352413397 /nfs/dbraw/zinc/41/33/97/352413397.db2.gz DALUYWVAAMJBIN-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN Cn1nc(-c2cnsc2)cc1C=O 575501714 352413474 /nfs/dbraw/zinc/41/34/74/352413474.db2.gz FAPBNQJBFZZKFN-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN C[C@@]1(C2CC2)CC(=O)CO1 575501722 352413477 /nfs/dbraw/zinc/41/34/77/352413477.db2.gz FCGFNGDKEYTWQN-QMMMGPOBSA-N 0 0 140.182 1.145 10 0 ADAERN C[C@]1(c2ccccn2)CC(=O)CO1 575501736 352413481 /nfs/dbraw/zinc/41/34/81/352413481.db2.gz FUQAZKZSMXHVSW-SNVBAGLBSA-N 0 0 177.203 1.286 10 0 ADAERN CC[C@@]1(C2CC2)CC(=O)CO1 575501727 352413492 /nfs/dbraw/zinc/41/34/92/352413492.db2.gz FULOYDKMYMSOJK-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN C[C@]1(C[C@@H]2CCOC2)CC(=O)CO1 575501608 352413500 /nfs/dbraw/zinc/41/35/00/352413500.db2.gz CGDLVBPTBXZZHC-WPRPVWTQSA-N 0 0 184.235 1.161 10 0 ADAERN CC(=O)[C@H]1CO[C@@H](C2CC2)C1 575501679 352413506 /nfs/dbraw/zinc/41/35/06/352413506.db2.gz NSGZHNCHLAYJCD-RKDXNWHRSA-N 0 0 154.209 1.391 10 0 ADAERN O=C1CO[C@H](c2ccoc2)C1 575501652 352413521 /nfs/dbraw/zinc/41/35/21/352413521.db2.gz CYUXMRKZICTPPS-QMMMGPOBSA-N 0 0 152.149 1.310 10 0 ADAERN C[C@@]1(c2ccncc2)CC(=O)CO1 575501745 352413533 /nfs/dbraw/zinc/41/35/33/352413533.db2.gz GJQMGXXPEVLIBT-JTQLQIEISA-N 0 0 177.203 1.286 10 0 ADAERN C[C@]1(C2CC2)CC(=O)CO1 575501720 352413551 /nfs/dbraw/zinc/41/35/51/352413551.db2.gz FCGFNGDKEYTWQN-MRVPVSSYSA-N 0 0 140.182 1.145 10 0 ADAERN C[C@@]1(C[C@H]2CCOC2)CC(=O)CO1 575501601 352413561 /nfs/dbraw/zinc/41/35/61/352413561.db2.gz CGDLVBPTBXZZHC-PSASIEDQSA-N 0 0 184.235 1.161 10 0 ADAERN C[C@@]1(C[C@@H]2CCOC2)CC(=O)CO1 575501606 352413572 /nfs/dbraw/zinc/41/35/72/352413572.db2.gz CGDLVBPTBXZZHC-WCBMZHEXSA-N 0 0 184.235 1.161 10 0 ADAERN CCC[C@H](C)[C@H]1CC(=O)CO1 575501659 352413588 /nfs/dbraw/zinc/41/35/88/352413588.db2.gz DALUYWVAAMJBIN-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN CC(=O)[C@@H]1CO[C@@H](C2CC2)C1 575501677 352413622 /nfs/dbraw/zinc/41/36/22/352413622.db2.gz NSGZHNCHLAYJCD-DTWKUNHWSA-N 0 0 154.209 1.391 10 0 ADAERN CC1([C@@H]2CC(=O)CO2)CCCC1 575501744 352413646 /nfs/dbraw/zinc/41/36/46/352413646.db2.gz GJHDUQZFWQJFKL-VIFPVBQESA-N 0 0 168.236 1.925 10 0 ADAERN CCC[C@@H](C)[C@H]1CC(=O)CO1 575501661 352413649 /nfs/dbraw/zinc/41/36/49/352413649.db2.gz DALUYWVAAMJBIN-VXNVDRBHSA-N 0 0 156.225 1.781 10 0 ADAERN CC(C)(C)C[C@@H]1CC(=O)CO1 575501622 352413661 /nfs/dbraw/zinc/41/36/61/352413661.db2.gz CTUJBGUYLIHPIO-QMMMGPOBSA-N 0 0 156.225 1.781 10 0 ADAERN Cn1nc(-c2cscn2)cc1C=O 575501610 352413673 /nfs/dbraw/zinc/41/36/73/352413673.db2.gz CIAYFYAWMXIBRS-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN CC(=O)[C@H]1CO[C@H](C2CC2)C1 575501675 352413689 /nfs/dbraw/zinc/41/36/89/352413689.db2.gz NSGZHNCHLAYJCD-BDAKNGLRSA-N 0 0 154.209 1.391 10 0 ADAERN CC(C)(C)C[C@H]1CC(=O)CO1 575501620 352413699 /nfs/dbraw/zinc/41/36/99/352413699.db2.gz CTUJBGUYLIHPIO-MRVPVSSYSA-N 0 0 156.225 1.781 10 0 ADAERN O=C1CO[C@@H](c2ccoc2)C1 575501627 352413702 /nfs/dbraw/zinc/41/37/02/352413702.db2.gz CYUXMRKZICTPPS-MRVPVSSYSA-N 0 0 152.149 1.310 10 0 ADAERN CC(=O)[C@@H]1CO[C@H](C2CC2)C1 575501678 352413714 /nfs/dbraw/zinc/41/37/14/352413714.db2.gz NSGZHNCHLAYJCD-IUCAKERBSA-N 0 0 154.209 1.391 10 0 ADAERN Cn1nc(-c2ccsn2)cc1C=O 575501725 352413716 /nfs/dbraw/zinc/41/37/16/352413716.db2.gz FOSMXIRJFQWXAJ-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN C[C@@]1(c2cccnc2)CC(=O)CO1 575501748 352413959 /nfs/dbraw/zinc/41/39/59/352413959.db2.gz GKSPDRJBSRCILR-JTQLQIEISA-N 0 0 177.203 1.286 10 0 ADAERN CCC[C@]1(CC)CC(=O)CO1 575501816 352414118 /nfs/dbraw/zinc/41/41/18/352414118.db2.gz HVFMEJWBOFKZGG-SECBINFHSA-N 0 0 156.225 1.925 10 0 ADAERN C[C@H]1CC[C@]2(CC(=O)CO2)C1 575501804 352414135 /nfs/dbraw/zinc/41/41/35/352414135.db2.gz HIHNFJURRGGJHC-IONNQARKSA-N 0 0 154.209 1.535 10 0 ADAERN C[C@@H]1CC[C@@]2(CC(=O)CO2)C1 575501800 352414284 /nfs/dbraw/zinc/41/42/84/352414284.db2.gz HIHNFJURRGGJHC-APPZFPTMSA-N 0 0 154.209 1.535 10 0 ADAERN 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180.251 1.743 10 0 ADAERN CC(C)[C@@H](C)[C@H]1CC(=O)CO1 575501880 352414561 /nfs/dbraw/zinc/41/45/61/352414561.db2.gz IEEQURWMNISLKB-VXNVDRBHSA-N 0 0 156.225 1.637 10 0 ADAERN CC(C)[C@@H](C)[C@@H]1CC(=O)CO1 575501877 352414579 /nfs/dbraw/zinc/41/45/79/352414579.db2.gz IEEQURWMNISLKB-APPZFPTMSA-N 0 0 156.225 1.637 10 0 ADAERN C[C@@H]1CCC[C@]12CC(=O)CO2 575501907 352414623 /nfs/dbraw/zinc/41/46/23/352414623.db2.gz JSSHRIPRCHJYLQ-APPZFPTMSA-N 0 0 154.209 1.535 10 0 ADAERN CC[C@]1(C2CCC2)CC(=O)CO1 575501897 352414651 /nfs/dbraw/zinc/41/46/51/352414651.db2.gz JCBNPLQBNHWTNS-SNVBAGLBSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@H]1CCC[C@@]12CC(=O)CO2 575501913 352414655 /nfs/dbraw/zinc/41/46/55/352414655.db2.gz JSSHRIPRCHJYLQ-VXNVDRBHSA-N 0 0 154.209 1.535 10 0 ADAERN CC(C)C[C@]1(C)CC(=O)CO1 575501976 352414678 /nfs/dbraw/zinc/41/46/78/352414678.db2.gz KXLJKRIYALKVOH-SECBINFHSA-N 0 0 156.225 1.781 10 0 ADAERN C=CC(=O)N[C@H]1C=CCC1 575501899 352414683 /nfs/dbraw/zinc/41/46/83/352414683.db2.gz 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CC(=O)NC[C@H]1CCC[C@@H](C)O1 575508981 352450561 /nfs/dbraw/zinc/45/05/61/352450561.db2.gz LIXZDEUIXQZYFR-VXNVDRBHSA-N 0 0 171.240 1.080 10 0 ADAERN CC[C@H]1C[C@@H](n2nccc2N)CO1 575509097 352451175 /nfs/dbraw/zinc/45/11/75/352451175.db2.gz LVBXWXJGWVQOJW-SFYZADRCSA-N 0 0 181.239 1.205 10 0 ADAERN CC[C@H]1C[C@H](n2nccc2N)CO1 575509100 352451182 /nfs/dbraw/zinc/45/11/82/352451182.db2.gz LVBXWXJGWVQOJW-YUMQZZPRSA-N 0 0 181.239 1.205 10 0 ADAERN CCNc1ccc(N)c(N)c1F 575509099 352451257 /nfs/dbraw/zinc/45/12/57/352451257.db2.gz VCXJNMOOWVLXSF-UHFFFAOYSA-N 0 0 169.203 1.422 10 0 ADAERN CC[C@@H]1C[C@H](n2nccc2N)CO1 575509095 352451262 /nfs/dbraw/zinc/45/12/62/352451262.db2.gz LVBXWXJGWVQOJW-JGVFFNPUSA-N 0 0 181.239 1.205 10 0 ADAERN CC[C@@H]1C[C@@H](n2nccc2N)CO1 575509093 352451377 /nfs/dbraw/zinc/45/13/77/352451377.db2.gz LVBXWXJGWVQOJW-HTQZYQBOSA-N 0 0 181.239 1.205 10 0 ADAERN CSc1ccc(N)c(N)c1F 575509083 352451387 /nfs/dbraw/zinc/45/13/87/352451387.db2.gz LTOXZABSUSQVJV-UHFFFAOYSA-N 0 0 172.228 1.712 10 0 ADAERN Cn1c([C@H]2CCC(=O)C2)cnc1Cl 575509627 352454484 /nfs/dbraw/zinc/45/44/84/352454484.db2.gz XJQCZIYXUMHZQN-LURJTMIESA-N 0 0 198.653 1.910 10 0 ADAERN Cn1c([C@@H]2CCC(=O)C2)cnc1Cl 575509629 352454771 /nfs/dbraw/zinc/45/47/71/352454771.db2.gz XJQCZIYXUMHZQN-ZCFIWIBFSA-N 0 0 198.653 1.910 10 0 ADAERN CCC(=O)c1cnc(Cl)n1C 575509652 352454844 /nfs/dbraw/zinc/45/48/44/352454844.db2.gz YERYFOIEQSKMKS-UHFFFAOYSA-N 0 0 172.615 1.666 10 0 ADAERN CCOc1ccc(N)c(N)c1F 575509734 352455585 /nfs/dbraw/zinc/45/55/85/352455585.db2.gz OMYQBLAWYQRWJS-UHFFFAOYSA-N 0 0 170.187 1.389 10 0 ADAERN CCN(C)c1ccc(N)c(N)c1F 575509869 352456363 /nfs/dbraw/zinc/45/63/63/352456363.db2.gz QFVHBPCHOVFVBU-UHFFFAOYSA-N 0 0 183.230 1.446 10 0 ADAERN CC[C@@H]1C[C@](N)(C(F)(F)F)CO1 575510030 352457093 /nfs/dbraw/zinc/45/70/93/352457093.db2.gz SQUKXHZBYZQCQX-PHDIDXHHSA-N 0 0 183.173 1.445 10 0 ADAERN CC[C@@H]1C[C@@](N)(C(F)(F)F)CO1 575510031 352457441 /nfs/dbraw/zinc/45/74/41/352457441.db2.gz SQUKXHZBYZQCQX-RITPCOANSA-N 0 0 183.173 1.445 10 0 ADAERN CC[C@H]1C[C@](N)(C(F)(F)F)CO1 575510029 352457503 /nfs/dbraw/zinc/45/75/03/352457503.db2.gz SQUKXHZBYZQCQX-NTSWFWBYSA-N 0 0 183.173 1.445 10 0 ADAERN CC[C@H]1C[C@@](N)(C(F)(F)F)CO1 575510032 352457556 /nfs/dbraw/zinc/45/75/56/352457556.db2.gz SQUKXHZBYZQCQX-WDSKDSINSA-N 0 0 183.173 1.445 10 0 ADAERN Nc1ccc(NC2CC2)c(F)c1N 575510070 352457996 /nfs/dbraw/zinc/45/79/96/352457996.db2.gz UOCCKXQHWMSESO-UHFFFAOYSA-N 0 0 181.214 1.564 10 0 ADAERN CC[C@@H]1C[C@]2(CCC(=O)NC2)CO1 575510213 352458597 /nfs/dbraw/zinc/45/85/97/352458597.db2.gz YCEQJZCUBJJYIS-SCZZXKLOSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@@H]1C[C@@]2(CCC(=O)NC2)CO1 575510212 352458666 /nfs/dbraw/zinc/45/86/66/352458666.db2.gz YCEQJZCUBJJYIS-PSASIEDQSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H]1C[C@H](Nc2cnns2)CO1 575510228 352458757 /nfs/dbraw/zinc/45/87/57/352458757.db2.gz YHQZXQJXOYBIIW-BQBZGAKWSA-N 0 0 199.279 1.518 10 0 ADAERN CC[C@@H]1C[C@@H](Nc2cnns2)CO1 575510230 352458794 /nfs/dbraw/zinc/45/87/94/352458794.db2.gz YHQZXQJXOYBIIW-RNFRBKRXSA-N 0 0 199.279 1.518 10 0 ADAERN CC[C@H]1C[C@@H](Nc2cnns2)CO1 575510231 352458798 /nfs/dbraw/zinc/45/87/98/352458798.db2.gz YHQZXQJXOYBIIW-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN CC[C@@H]1C[C@H](Nc2cnns2)CO1 575510229 352459048 /nfs/dbraw/zinc/45/90/48/352459048.db2.gz YHQZXQJXOYBIIW-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN CC[C@H]1C[C@@]2(CCC(=O)NC2)CO1 575510214 352459092 /nfs/dbraw/zinc/45/90/92/352459092.db2.gz YCEQJZCUBJJYIS-WCBMZHEXSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H]1C[C@]2(CCC(=O)NC2)CO1 575510215 352459163 /nfs/dbraw/zinc/45/91/63/352459163.db2.gz YCEQJZCUBJJYIS-WPRPVWTQSA-N 0 0 183.251 1.082 10 0 ADAERN Nc1ccc(NCCF)c(F)c1N 575510300 352459438 /nfs/dbraw/zinc/45/94/38/352459438.db2.gz ZPYCFLYGSQXVRH-UHFFFAOYSA-N 0 0 187.193 1.372 10 0 ADAERN C[C@H](O)CC(C)(C)C(N)=S 575510539 352460486 /nfs/dbraw/zinc/46/04/86/352460486.db2.gz FKQFXWBGRWGJDA-YFKPBYRVSA-N 0 0 161.270 1.070 10 0 ADAERN C[C@@H](O)CC(C)(C)C(N)=S 575510538 352460498 /nfs/dbraw/zinc/46/04/98/352460498.db2.gz FKQFXWBGRWGJDA-RXMQYKEDSA-N 0 0 161.270 1.070 10 0 ADAERN O=C1CC2(CCC3(CC3)CC2)CN1 575510400 352460556 /nfs/dbraw/zinc/46/05/56/352460556.db2.gz CMKVOVZAXBKYRZ-UHFFFAOYSA-N 0 0 179.263 1.847 10 0 ADAERN [NH3+]C1(C(=O)[O-])CCC2(CC2)CC1 575510419 352460619 /nfs/dbraw/zinc/46/06/19/352460619.db2.gz DLKHBSPGAXLFOB-UHFFFAOYSA-N 0 0 169.224 1.123 10 0 ADAERN CC(=O)C1=C(O)CCC2(CC2)C1 575510681 352461250 /nfs/dbraw/zinc/46/12/50/352461250.db2.gz JPNBERTWIOZGAB-MRVPVSSYSA-N 0 0 166.220 1.725 10 0 ADAERN CC(=O)C1=C(O)CCC2(CC2)C1 575510682 352461386 /nfs/dbraw/zinc/46/13/86/352461386.db2.gz JPNBERTWIOZGAB-QMMMGPOBSA-N 0 0 166.220 1.725 10 0 ADAERN Cc1ncc([C@H]2N[C@@H](C)CS2)n1C 575510778 352461756 /nfs/dbraw/zinc/46/17/56/352461756.db2.gz MRQRALKKHVGZHW-RCOVLWMOSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1ncc([C@@H]2N[C@@H](C)CS2)n1C 575510776 352462266 /nfs/dbraw/zinc/46/22/66/352462266.db2.gz MRQRALKKHVGZHW-IMTBSYHQSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1ncc([C@@H]2N[C@H](C)CS2)n1C 575510775 352462371 /nfs/dbraw/zinc/46/23/71/352462371.db2.gz MRQRALKKHVGZHW-HZGVNTEJSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1ncc([C@H]2N[C@H](C)CS2)n1C 575510777 352462383 /nfs/dbraw/zinc/46/23/83/352462383.db2.gz MRQRALKKHVGZHW-MUWHJKNJSA-N 0 0 197.307 1.452 10 0 ADAERN O=C1CC2(CCC3(CC3)CC2)N1 575510773 352462420 /nfs/dbraw/zinc/46/24/20/352462420.db2.gz MPSBGWNJWHHRKJ-UHFFFAOYSA-N 0 0 165.236 1.599 10 0 ADAERN CC(=O)c1c(C(F)(F)F)cnn1C 575511107 352463506 /nfs/dbraw/zinc/46/35/06/352463506.db2.gz PSWZUZUWAUMAAY-UHFFFAOYSA-N 0 0 192.140 1.642 10 0 ADAERN NC1=NC2(CCC3(CC3)CC2)CO1 575511118 352463687 /nfs/dbraw/zinc/46/36/87/352463687.db2.gz PYFOWNSLYJEMDZ-UHFFFAOYSA-N 0 0 180.251 1.634 10 0 ADAERN NNC(=S)N[C@@H]1CCCC2(CC2)C1 575511174 352464470 /nfs/dbraw/zinc/46/44/70/352464470.db2.gz CIRQJKFOEFEPAI-SSDOTTSWSA-N 0 0 199.323 1.047 10 0 ADAERN NNC(=S)N[C@H]1CCCC2(CC2)C1 575511175 352464507 /nfs/dbraw/zinc/46/45/07/352464507.db2.gz CIRQJKFOEFEPAI-ZETCQYMHSA-N 0 0 199.323 1.047 10 0 ADAERN O=CNC1CCC2(CC1)CC2 575511142 352464759 /nfs/dbraw/zinc/46/47/59/352464759.db2.gz BIXJKMQUJVTJCS-UHFFFAOYSA-N 0 0 153.225 1.455 10 0 ADAERN O=CN[C@H]1CCCC[C@H]1C1CC1 575511324 352465594 /nfs/dbraw/zinc/46/55/94/352465594.db2.gz CTKYTYCZDXDDPA-UWVGGRQHSA-N 0 0 167.252 1.701 10 0 ADAERN O=C1NC2(CCC3(CC3)CC2)CO1 575511295 352465202 /nfs/dbraw/zinc/46/52/02/352465202.db2.gz QWBOZJDMBLPFSD-UHFFFAOYSA-N 0 0 181.235 1.819 10 0 ADAERN O=CN[C@@H]1CCCC[C@H]1C1CC1 575511326 352465258 /nfs/dbraw/zinc/46/52/58/352465258.db2.gz CTKYTYCZDXDDPA-VHSXEESVSA-N 0 0 167.252 1.701 10 0 ADAERN O=CN[C@@H]1CCCC[C@@H]1C1CC1 575511323 352465509 /nfs/dbraw/zinc/46/55/09/352465509.db2.gz CTKYTYCZDXDDPA-NXEZZACHSA-N 0 0 167.252 1.701 10 0 ADAERN O=CN[C@H]1CCCC[C@@H]1C1CC1 575511329 352465611 /nfs/dbraw/zinc/46/56/11/352465611.db2.gz CTKYTYCZDXDDPA-ZJUUUORDSA-N 0 0 167.252 1.701 10 0 ADAERN Cc1ncc([C@H]2NC[C@H](C)S2)n1C 575511425 352465958 /nfs/dbraw/zinc/46/59/58/352465958.db2.gz SMMXZPAHMDFFRQ-RCOVLWMOSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1ncc([C@H]2NC[C@@H](C)S2)n1C 575511424 352465981 /nfs/dbraw/zinc/46/59/81/352465981.db2.gz SMMXZPAHMDFFRQ-MUWHJKNJSA-N 0 0 197.307 1.452 10 0 ADAERN O=CNC[C@@H]1CCCC2(CC2)C1 575511428 352466026 /nfs/dbraw/zinc/46/60/26/352466026.db2.gz FALCICSPAGZKNP-SECBINFHSA-N 0 0 167.252 1.703 10 0 ADAERN NC(=O)NCC1CCC2(CC1)CC2 575511391 352466098 /nfs/dbraw/zinc/46/60/98/352466098.db2.gz DMPXPODBCCDHGN-UHFFFAOYSA-N 0 0 182.267 1.625 10 0 ADAERN Cc1ncc([C@@H]2NC[C@@H](C)S2)n1C 575511422 352466120 /nfs/dbraw/zinc/46/61/20/352466120.db2.gz SMMXZPAHMDFFRQ-HZGVNTEJSA-N 0 0 197.307 1.452 10 0 ADAERN Cc1ncc([C@H]2NCCS2)n1C 575511367 352466169 /nfs/dbraw/zinc/46/61/69/352466169.db2.gz RNZODDGTQJPTHP-QMMMGPOBSA-N 0 0 183.280 1.064 10 0 ADAERN Cc1ncc([C@@H]2NCCS2)n1C 575511365 352466230 /nfs/dbraw/zinc/46/62/30/352466230.db2.gz RNZODDGTQJPTHP-MRVPVSSYSA-N 0 0 183.280 1.064 10 0 ADAERN Cc1ncc([C@@H]2NC[C@H](C)S2)n1C 575511423 352466250 /nfs/dbraw/zinc/46/62/50/352466250.db2.gz SMMXZPAHMDFFRQ-IMTBSYHQSA-N 0 0 197.307 1.452 10 0 ADAERN N#CNC1CCC2(CC1)CC2 575511392 352466270 /nfs/dbraw/zinc/46/62/70/352466270.db2.gz DNEIZRUQYBMJDJ-UHFFFAOYSA-N 0 0 150.225 1.780 10 0 ADAERN O=CNC[C@H]1CCCC2(CC2)C1 575511429 352466281 /nfs/dbraw/zinc/46/62/81/352466281.db2.gz FALCICSPAGZKNP-VIFPVBQESA-N 0 0 167.252 1.703 10 0 ADAERN C[NH2+]C1(C(=O)[O-])CCC2(CC2)CC1 575511382 352466353 /nfs/dbraw/zinc/46/63/53/352466353.db2.gz RWEFXVGRVCKBLN-UHFFFAOYSA-N 0 0 183.251 1.383 10 0 ADAERN O=C([O-])/C=C/[NH+]1CCC(F)CC1 575511699 352467603 /nfs/dbraw/zinc/46/76/03/352467603.db2.gz VXMILKKGMGQTIV-ZZXKWVIFSA-N 0 0 173.187 1.019 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cnc(C)n1C 575511670 352467700 /nfs/dbraw/zinc/46/77/00/352467700.db2.gz VAGAUAAEYVRTHD-RKDXNWHRSA-N 0 0 178.235 1.421 10 0 ADAERN CSCCc1nc(N)c(C)s1 575511732 352467752 /nfs/dbraw/zinc/46/77/52/352467752.db2.gz HNBIPKGFQMTKRZ-UHFFFAOYSA-N 0 0 188.321 1.939 10 0 ADAERN Cc1ncc([C@@H]2NCCCS2)n1C 575511725 352467797 /nfs/dbraw/zinc/46/77/97/352467797.db2.gz WOPLHLARVOXQMQ-SECBINFHSA-N 0 0 197.307 1.454 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1c1cnc(C)n1C 575511667 352467829 /nfs/dbraw/zinc/46/78/29/352467829.db2.gz VAGAUAAEYVRTHD-BDAKNGLRSA-N 0 0 178.235 1.421 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cnc(C)n1C 575511669 352468032 /nfs/dbraw/zinc/46/80/32/352468032.db2.gz VAGAUAAEYVRTHD-IUCAKERBSA-N 0 0 178.235 1.421 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1c1cnc(C)n1C 575511668 352467984 /nfs/dbraw/zinc/46/79/84/352467984.db2.gz VAGAUAAEYVRTHD-DTWKUNHWSA-N 0 0 178.235 1.421 10 0 ADAERN O=C1C[C@]2(CCCSCC2)N1 575517692 352497990 /nfs/dbraw/zinc/49/79/90/352497990.db2.gz HHVOZMHWBVETNW-MRVPVSSYSA-N 0 0 171.265 1.162 10 0 ADAERN Cc1ncc([C@H]2NCCCS2)n1C 575511726 352468155 /nfs/dbraw/zinc/46/81/55/352468155.db2.gz WOPLHLARVOXQMQ-VIFPVBQESA-N 0 0 197.307 1.454 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCCC[C@@H]1C1CC1 575511767 352468632 /nfs/dbraw/zinc/46/86/32/352468632.db2.gz IJXAJHCQWQWOKX-PSASIEDQSA-N 0 0 183.251 1.369 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCCC[C@H]1C1CC1 575511769 352468685 /nfs/dbraw/zinc/46/86/85/352468685.db2.gz IJXAJHCQWQWOKX-WCBMZHEXSA-N 0 0 183.251 1.369 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCCC[C@@H]1C1CC1 575511768 352468696 /nfs/dbraw/zinc/46/86/96/352468696.db2.gz IJXAJHCQWQWOKX-SCZZXKLOSA-N 0 0 183.251 1.369 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCCC[C@H]1C1CC1 575511770 352468809 /nfs/dbraw/zinc/46/88/09/352468809.db2.gz IJXAJHCQWQWOKX-WPRPVWTQSA-N 0 0 183.251 1.369 10 0 ADAERN C/C(=C/Cl)Cn1ncc(N)c1C 575511927 352469389 /nfs/dbraw/zinc/46/93/89/352469389.db2.gz BDVOXCJVFRTEOJ-UTCJRWHESA-N 0 0 185.658 1.916 10 0 ADAERN C/C(=C\Cl)Cn1ncc(N)c1C 575511928 352469431 /nfs/dbraw/zinc/46/94/31/352469431.db2.gz BDVOXCJVFRTEOJ-ZZXKWVIFSA-N 0 0 185.658 1.916 10 0 ADAERN Cc1c(N)cnn1Cc1ccsc1 575511874 352469502 /nfs/dbraw/zinc/46/95/02/352469502.db2.gz AGIOXCWKYCKMLZ-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN [NH3+]C1(CC(=O)[O-])CCC2(CC1)CC2 575511959 352469559 /nfs/dbraw/zinc/46/95/59/352469559.db2.gz YTTDPKNUJUIAHJ-UHFFFAOYSA-N 0 0 183.251 1.513 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1[C@H]([NH3+])C(=O)[O-] 575511956 352469624 /nfs/dbraw/zinc/46/96/24/352469624.db2.gz BMHRJARJWDUCPU-VGMNWLOBSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1CCCCC[C@H]1[C@@H]([NH3+])C(=O)[O-] 575511955 352469625 /nfs/dbraw/zinc/46/96/25/352469625.db2.gz BMHRJARJWDUCPU-IWSPIJDZSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1[C@@H]([NH3+])C(=O)[O-] 575511954 352469631 /nfs/dbraw/zinc/46/96/31/352469631.db2.gz BMHRJARJWDUCPU-HRDYMLBCSA-N 0 0 185.267 1.615 10 0 ADAERN C[C@@H]1CCCCC[C@H]1[C@H]([NH3+])C(=O)[O-] 575511953 352469674 /nfs/dbraw/zinc/46/96/74/352469674.db2.gz BMHRJARJWDUCPU-HLTSFMKQSA-N 0 0 185.267 1.615 10 0 ADAERN O=C1C[C@]2(CCCC[C@H]2C2CC2)N1 575512085 352470165 /nfs/dbraw/zinc/47/01/65/352470165.db2.gz KOVHKWTXSRYWDF-ONGXEEELSA-N 0 0 179.263 1.845 10 0 ADAERN Cc1c(N)cnn1CCCF 575511993 352470194 /nfs/dbraw/zinc/47/01/94/352470194.db2.gz CNXVMAYWMGFHGM-UHFFFAOYSA-N 0 0 157.192 1.133 10 0 ADAERN O=C1C[C@@]2(CCCC[C@H]2C2CC2)N1 575512080 352470201 /nfs/dbraw/zinc/47/02/01/352470201.db2.gz KOVHKWTXSRYWDF-GXSJLCMTSA-N 0 0 179.263 1.845 10 0 ADAERN c1n[nH]cc1CNc1cnsc1 575512063 352470227 /nfs/dbraw/zinc/47/02/27/352470227.db2.gz FGBBSYFEPCOIPT-UHFFFAOYSA-N 0 0 180.236 1.478 10 0 ADAERN NNC(=S)NC1CCC2(CC1)CC2 575512079 352470251 /nfs/dbraw/zinc/47/02/51/352470251.db2.gz KOUQPNPJWVGECC-UHFFFAOYSA-N 0 0 199.323 1.047 10 0 ADAERN NC(=O)N[C@H]1CCCC2(CC2)C1 575512022 352470306 /nfs/dbraw/zinc/47/03/06/352470306.db2.gz KDQFKXVASUJNHA-ZETCQYMHSA-N 0 0 168.240 1.378 10 0 ADAERN O=C1C[C@@]2(CCCC[C@@H]2C2CC2)N1 575512084 352470334 /nfs/dbraw/zinc/47/03/34/352470334.db2.gz KOVHKWTXSRYWDF-MWLCHTKSSA-N 0 0 179.263 1.845 10 0 ADAERN NC(=O)N[C@@H]1CCCC2(CC2)C1 575512020 352470417 /nfs/dbraw/zinc/47/04/17/352470417.db2.gz KDQFKXVASUJNHA-SSDOTTSWSA-N 0 0 168.240 1.378 10 0 ADAERN C/C=C/Cn1ncc(N)c1C 575511998 352470419 /nfs/dbraw/zinc/47/04/19/352470419.db2.gz DDNCAYVQORHCJB-ONEGZZNKSA-N 0 0 151.213 1.350 10 0 ADAERN O=C1C[C@]2(CCCC[C@@H]2C2CC2)N1 575512082 352470428 /nfs/dbraw/zinc/47/04/28/352470428.db2.gz KOVHKWTXSRYWDF-KOLCDFICSA-N 0 0 179.263 1.845 10 0 ADAERN [NH3+][C@H](C(=O)[O-])C1CCC2(CC1)CC2 575512217 352470803 /nfs/dbraw/zinc/47/08/03/352470803.db2.gz IMRUBSRMFNXWAS-QMMMGPOBSA-N 0 0 183.251 1.369 10 0 ADAERN [NH3+]Cc1noc2c1CC1(CC2)CC1 575512125 352470919 /nfs/dbraw/zinc/47/09/19/352470919.db2.gz ZWGKADYASHSTSP-UHFFFAOYSA-N 0 0 178.235 1.402 10 0 ADAERN Cc1nn(Cc2ccns2)cc1N 575512179 352470972 /nfs/dbraw/zinc/47/09/72/352470972.db2.gz GULITJFVWINHCE-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN NC(=O)NC[C@H]1CCCC2(CC2)C1 575512142 352470975 /nfs/dbraw/zinc/47/09/75/352470975.db2.gz LAOSNAZGBJVCAX-QMMMGPOBSA-N 0 0 182.267 1.625 10 0 ADAERN NC(=O)NC[C@@H]1CCCC2(CC2)C1 575512141 352471013 /nfs/dbraw/zinc/47/10/13/352471013.db2.gz LAOSNAZGBJVCAX-MRVPVSSYSA-N 0 0 182.267 1.625 10 0 ADAERN CCN1C(=O)Cc2cc(N)ccc21 575512159 352471019 /nfs/dbraw/zinc/47/10/19/352471019.db2.gz QSWVLAKKGSCLHQ-UHFFFAOYSA-N 0 0 176.219 1.949 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])C1CCC2(CC1)CC2 575512216 352471028 /nfs/dbraw/zinc/47/10/28/352471028.db2.gz IMRUBSRMFNXWAS-MRVPVSSYSA-N 0 0 183.251 1.369 10 0 ADAERN CSCCn1ncc(N)c1C 575512202 352471031 /nfs/dbraw/zinc/47/10/31/352471031.db2.gz HTYIUXHXXWZIBR-UHFFFAOYSA-N 0 0 171.269 1.137 10 0 ADAERN CSCCc1nc(N)cs1 575512132 352471047 /nfs/dbraw/zinc/47/10/47/352471047.db2.gz KTTMNMIYOQGQEA-UHFFFAOYSA-N 0 0 174.294 1.631 10 0 ADAERN O=C1NCC2(CCC3(CC3)CC2)O1 575512127 352471059 /nfs/dbraw/zinc/47/10/59/352471059.db2.gz ZXAZRQHCOZVOJL-UHFFFAOYSA-N 0 0 181.235 1.819 10 0 ADAERN CC(C)Nc1ccncc1F 575519961 352510113 /nfs/dbraw/zinc/51/01/13/352510113.db2.gz AOUNOBYIGHZRQV-UHFFFAOYSA-N 0 0 154.188 1.463 10 0 ADAERN CNC(=S)N[C@@H]1CCCC2(CC2)C1 575512312 352471326 /nfs/dbraw/zinc/47/13/26/352471326.db2.gz MSIWRZXIPYWOMQ-MRVPVSSYSA-N 0 0 198.335 1.803 10 0 ADAERN NC(=S)NCC1CCC2(CC1)CC2 575512265 352471342 /nfs/dbraw/zinc/47/13/42/352471342.db2.gz LQPFHIYEUXPHMR-UHFFFAOYSA-N 0 0 198.335 1.790 10 0 ADAERN CC(C)=CCn1ncc(N)c1C 575512233 352471394 /nfs/dbraw/zinc/47/13/94/352471394.db2.gz JXIZOMJGGHMEFB-UHFFFAOYSA-N 0 0 165.240 1.740 10 0 ADAERN CC(=O)N[C@H]1CCCC2(CC2)C1 575512274 352471456 /nfs/dbraw/zinc/47/14/56/352471456.db2.gz LTLDNXROBIXWMH-VIFPVBQESA-N 0 0 167.252 1.845 10 0 ADAERN CC(=O)N[C@@H]1CCCC2(CC2)C1 575512271 352471480 /nfs/dbraw/zinc/47/14/80/352471480.db2.gz LTLDNXROBIXWMH-SECBINFHSA-N 0 0 167.252 1.845 10 0 ADAERN O=CN[C@H]1CCCC2(CC2)C1 575512342 352471491 /nfs/dbraw/zinc/47/14/91/352471491.db2.gz NLVZTMUIPCUFQP-QMMMGPOBSA-N 0 0 153.225 1.455 10 0 ADAERN O=CNCC1CCC2(CC1)CC2 575512269 352471567 /nfs/dbraw/zinc/47/15/67/352471567.db2.gz LRYPJZQJQQTTDY-UHFFFAOYSA-N 0 0 167.252 1.703 10 0 ADAERN NC(=S)NC[C@@H]1CCCC2(CC2)C1 575512287 352471620 /nfs/dbraw/zinc/47/16/20/352471620.db2.gz MCTBVRTXBGXYJR-MRVPVSSYSA-N 0 0 198.335 1.790 10 0 ADAERN NC(=S)N[C@H]1CCCC2(CC2)C1 575512317 352471694 /nfs/dbraw/zinc/47/16/94/352471694.db2.gz MYERTMSSIQGTCH-ZETCQYMHSA-N 0 0 184.308 1.542 10 0 ADAERN CNC(=S)N[C@H]1CCCC2(CC2)C1 575512313 352471699 /nfs/dbraw/zinc/47/16/99/352471699.db2.gz MSIWRZXIPYWOMQ-QMMMGPOBSA-N 0 0 198.335 1.803 10 0 ADAERN NC(=S)N[C@@H]1CCCC2(CC2)C1 575512316 352471721 /nfs/dbraw/zinc/47/17/21/352471721.db2.gz MYERTMSSIQGTCH-SSDOTTSWSA-N 0 0 184.308 1.542 10 0 ADAERN O=CN[C@@H]1CCCC2(CC2)C1 575512341 352471746 /nfs/dbraw/zinc/47/17/46/352471746.db2.gz NLVZTMUIPCUFQP-MRVPVSSYSA-N 0 0 153.225 1.455 10 0 ADAERN NC(=S)NC[C@H]1CCCC2(CC2)C1 575512288 352471780 /nfs/dbraw/zinc/47/17/80/352471780.db2.gz MCTBVRTXBGXYJR-QMMMGPOBSA-N 0 0 198.335 1.790 10 0 ADAERN Cc1c(N)cnn1Cc1ccns1 575512260 352471819 /nfs/dbraw/zinc/47/18/19/352471819.db2.gz KONCPSRRVCFPMV-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cn1cc(N[C@@H]2CC[C@@H]3C[C@@H]32)nn1 575512388 352472103 /nfs/dbraw/zinc/47/21/03/352472103.db2.gz MQIMFEPCLYEINV-GJMOJQLCSA-N 0 0 178.239 1.026 10 0 ADAERN CC(C)CC(=O)C1COC1 575512391 352472123 /nfs/dbraw/zinc/47/21/23/352472123.db2.gz MUETWVHBDTZFJJ-UHFFFAOYSA-N 0 0 142.198 1.248 10 0 ADAERN Cc1c(N)cnn1CC1CCCC1 575512449 352472448 /nfs/dbraw/zinc/47/24/48/352472448.db2.gz OJTOUKJBJSOYIJ-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN Cn1cc(N[C@@H]2CC[C@H]3C[C@H]32)nn1 575512389 352472583 /nfs/dbraw/zinc/47/25/83/352472583.db2.gz MQIMFEPCLYEINV-XLPZGREQSA-N 0 0 178.239 1.026 10 0 ADAERN Cc1c(N)cnn1C/C=C/Cl 575512512 352472788 /nfs/dbraw/zinc/47/27/88/352472788.db2.gz PXNZYERGQWGMAF-NSCUHMNNSA-N 0 0 171.631 1.526 10 0 ADAERN CNC(=O)N[C@@H]1CCCC2(CC2)C1 575512533 352472825 /nfs/dbraw/zinc/47/28/25/352472825.db2.gz PZGDLAHKEPOFAX-MRVPVSSYSA-N 0 0 182.267 1.638 10 0 ADAERN CCCC(=O)C1COC1 575512496 352472852 /nfs/dbraw/zinc/47/28/52/352472852.db2.gz PQSWMVMBBQSHOY-UHFFFAOYSA-N 0 0 128.171 1.002 10 0 ADAERN Cc1c(N)cnn1C[C@H]1CC1(F)F 575512524 352472866 /nfs/dbraw/zinc/47/28/66/352472866.db2.gz QCAIOLHKSAAUIB-ZCFIWIBFSA-N 0 0 187.193 1.429 10 0 ADAERN [NH2+]=C(NO)N[C@H]1CCCC2(CC2)C1 575512513 352472882 /nfs/dbraw/zinc/47/28/82/352472882.db2.gz PNRJGGOZSPYJLV-ZETCQYMHSA-N 0 0 183.255 1.212 10 0 ADAERN Cc1nn([C@H](C)C(C)C)cc1N 575512506 352472895 /nfs/dbraw/zinc/47/28/95/352472895.db2.gz PSMHNFUUTSJCTN-MRVPVSSYSA-N 0 0 167.256 1.991 10 0 ADAERN [NH2+]=C(NO)N[C@@H]1CCCC2(CC2)C1 575512507 352472901 /nfs/dbraw/zinc/47/29/01/352472901.db2.gz PNRJGGOZSPYJLV-SSDOTTSWSA-N 0 0 183.255 1.212 10 0 ADAERN [NH2+]=C(NO)NC1CCC2(CC1)CC2 575512557 352472954 /nfs/dbraw/zinc/47/29/54/352472954.db2.gz QVSIUSLKVLYEMX-UHFFFAOYSA-N 0 0 183.255 1.212 10 0 ADAERN CNC(=O)N[C@H]1CCCC2(CC2)C1 575512534 352472980 /nfs/dbraw/zinc/47/29/80/352472980.db2.gz PZGDLAHKEPOFAX-QMMMGPOBSA-N 0 0 182.267 1.638 10 0 ADAERN N#CN[C@H]1CCCC2(CC2)C1 575512520 352473018 /nfs/dbraw/zinc/47/30/18/352473018.db2.gz PWVXWYBTYOGZNY-QMMMGPOBSA-N 0 0 150.225 1.780 10 0 ADAERN Cc1nn([C@@H](C)C(C)C)cc1N 575512508 352473026 /nfs/dbraw/zinc/47/30/26/352473026.db2.gz PSMHNFUUTSJCTN-QMMMGPOBSA-N 0 0 167.256 1.991 10 0 ADAERN Cc1c(N)cnn1C[C@@H]1CC1(F)F 575512523 352473031 /nfs/dbraw/zinc/47/30/31/352473031.db2.gz QCAIOLHKSAAUIB-LURJTMIESA-N 0 0 187.193 1.429 10 0 ADAERN [NH3+]CC(=O)[C@@H]1CCCC2(CC2)C1 575512555 352473136 /nfs/dbraw/zinc/47/31/36/352473136.db2.gz QVGZMCDTSKPYHD-MRVPVSSYSA-N 0 0 167.252 1.485 10 0 ADAERN [NH3+]CC(=O)[C@H]1CCCC2(CC2)C1 575512556 352473171 /nfs/dbraw/zinc/47/31/71/352473171.db2.gz QVGZMCDTSKPYHD-QMMMGPOBSA-N 0 0 167.252 1.485 10 0 ADAERN CNC(=O)[C@@H]1CCCC2(CC2)C1 575512587 352473190 /nfs/dbraw/zinc/47/31/90/352473190.db2.gz RBVLRKGCGLLEQU-MRVPVSSYSA-N 0 0 167.252 1.703 10 0 ADAERN CNC(=O)[C@H]1CCCC2(CC2)C1 575512590 352473217 /nfs/dbraw/zinc/47/32/17/352473217.db2.gz RBVLRKGCGLLEQU-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN N#CN[C@@H]1CCCC2(CC2)C1 575512519 352473223 /nfs/dbraw/zinc/47/32/23/352473223.db2.gz PWVXWYBTYOGZNY-MRVPVSSYSA-N 0 0 150.225 1.780 10 0 ADAERN Cc1c(N)cnn1Cc1cncs1 575512656 352473626 /nfs/dbraw/zinc/47/36/26/352473626.db2.gz SCYKTWFONGSQJF-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1nn([C@@H]2CCSC2)cc1N 575512658 352473585 /nfs/dbraw/zinc/47/35/85/352473585.db2.gz SMTFCWSFFCSMHU-SSDOTTSWSA-N 0 0 183.280 1.452 10 0 ADAERN Cc1nn([C@H]2CCSC2)cc1N 575512665 352473641 /nfs/dbraw/zinc/47/36/41/352473641.db2.gz SMTFCWSFFCSMHU-ZETCQYMHSA-N 0 0 183.280 1.452 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@@H]1CCC12CCCC2 575512724 352473649 /nfs/dbraw/zinc/47/36/49/352473649.db2.gz TZIYGSNYYGTBMG-JGVFFNPUSA-N 0 0 183.251 1.369 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@H]1CCC12CCCC2 575512723 352473669 /nfs/dbraw/zinc/47/36/69/352473669.db2.gz TZIYGSNYYGTBMG-HTQZYQBOSA-N 0 0 183.251 1.369 10 0 ADAERN Cc1c(N)cnn1CC1(C)CCC1 575512647 352473709 /nfs/dbraw/zinc/47/37/09/352473709.db2.gz RUIYWOCUAPZGPK-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@@H]1CCC12CCCC2 575512726 352473775 /nfs/dbraw/zinc/47/37/75/352473775.db2.gz TZIYGSNYYGTBMG-YUMQZZPRSA-N 0 0 183.251 1.369 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@H]1CCC12CCCC2 575512725 352473800 /nfs/dbraw/zinc/47/38/00/352473800.db2.gz TZIYGSNYYGTBMG-SFYZADRCSA-N 0 0 183.251 1.369 10 0 ADAERN Cc1nn(C[C@@H]2CC2(F)F)cc1N 575512728 352473830 /nfs/dbraw/zinc/47/38/30/352473830.db2.gz UKWABGBUCZAYRX-LURJTMIESA-N 0 0 187.193 1.429 10 0 ADAERN Cc1nn(C[C@H]2CC2(F)F)cc1N 575512729 352473858 /nfs/dbraw/zinc/47/38/58/352473858.db2.gz UKWABGBUCZAYRX-ZCFIWIBFSA-N 0 0 187.193 1.429 10 0 ADAERN Cc1nn(CC2(C)CCC2)cc1N 575512811 352474411 /nfs/dbraw/zinc/47/44/11/352474411.db2.gz OAZSOFCURSEBLG-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN NC(=S)N[C@H]1CCCC[C@@H]1C1CC1 575512831 352474529 /nfs/dbraw/zinc/47/45/29/352474529.db2.gz UOJCBCIISBFSMX-BDAKNGLRSA-N 0 0 198.335 1.788 10 0 ADAERN Cc1nn(Cc2nccs2)cc1N 575512793 352474592 /nfs/dbraw/zinc/47/45/92/352474592.db2.gz LAXWRYPFCJNPRR-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN Cc1nn(Cc2cncs2)cc1N 575512782 352474607 /nfs/dbraw/zinc/47/46/07/352474607.db2.gz HRGYLPSSXMOBJR-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C/C(=C/Cl)Cn1cc(N)c(C)n1 575512906 352475088 /nfs/dbraw/zinc/47/50/88/352475088.db2.gz ZZYYQNAKZZEQPT-UTCJRWHESA-N 0 0 185.658 1.916 10 0 ADAERN Cc1nn(Cc2ccsc2)cc1N 575512856 352475122 /nfs/dbraw/zinc/47/51/22/352475122.db2.gz UJCSQLSQZPLDKY-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN Cc1c(N)cnn1Cc1nccs1 575512947 352475146 /nfs/dbraw/zinc/47/51/46/352475146.db2.gz YFEUBEFWYJESJH-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN NC(=S)N[C@@H]1CCCC[C@H]1C1CC1 575512847 352475191 /nfs/dbraw/zinc/47/51/91/352475191.db2.gz UOJCBCIISBFSMX-DTWKUNHWSA-N 0 0 198.335 1.788 10 0 ADAERN Cc1nn(Cc2cccs2)cc1N 575512865 352475207 /nfs/dbraw/zinc/47/52/07/352475207.db2.gz VWJZATHSBNRTRI-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN Cc1nn(CC2CCCC2)cc1N 575512877 352475245 /nfs/dbraw/zinc/47/52/45/352475245.db2.gz YCGAPHVIDMABQD-UHFFFAOYSA-N 0 0 179.267 1.964 10 0 ADAERN NC(=S)N[C@@H]1CCCC[C@@H]1C1CC1 575512852 352475279 /nfs/dbraw/zinc/47/52/79/352475279.db2.gz UOJCBCIISBFSMX-RKDXNWHRSA-N 0 0 198.335 1.788 10 0 ADAERN NC(=S)N[C@H]1CCCC[C@H]1C1CC1 575512849 352475290 /nfs/dbraw/zinc/47/52/90/352475290.db2.gz UOJCBCIISBFSMX-IUCAKERBSA-N 0 0 198.335 1.788 10 0 ADAERN O=C1CCc2c1ccc1c2OCC1 575512932 352475295 /nfs/dbraw/zinc/47/52/95/352475295.db2.gz YBSRVPOLXWKHQI-UHFFFAOYSA-N 0 0 174.199 1.750 10 0 ADAERN Cc1c(N)cnn1Cc1cccs1 575512954 352475331 /nfs/dbraw/zinc/47/53/31/352475331.db2.gz YLASIWVYJRRGAK-UHFFFAOYSA-N 0 0 193.275 1.884 10 0 ADAERN NC(=O)N[C@H]1CCCC[C@@H]1C1CC1 575513042 352475836 /nfs/dbraw/zinc/47/58/36/352475836.db2.gz XVKOIFBBYDUWAM-BDAKNGLRSA-N 0 0 182.267 1.624 10 0 ADAERN NC(=O)N[C@@H]1CCCC[C@H]1C1CC1 575513043 352475913 /nfs/dbraw/zinc/47/59/13/352475913.db2.gz XVKOIFBBYDUWAM-DTWKUNHWSA-N 0 0 182.267 1.624 10 0 ADAERN N#CNC[C@@H]1C[C@H]1C1CC1 575522801 352523390 /nfs/dbraw/zinc/52/33/90/352523390.db2.gz YDGCLKXVQFYPHX-YUMQZZPRSA-N 0 0 136.198 1.103 10 0 ADAERN NC(=O)N[C@H]1CCCC[C@H]1C1CC1 575513044 352476022 /nfs/dbraw/zinc/47/60/22/352476022.db2.gz XVKOIFBBYDUWAM-IUCAKERBSA-N 0 0 182.267 1.624 10 0 ADAERN NC(=S)NC1CCC2(CC1)CC2 575512988 352476032 /nfs/dbraw/zinc/47/60/32/352476032.db2.gz WNGBUJUBVVXXSM-UHFFFAOYSA-N 0 0 184.308 1.542 10 0 ADAERN NC(=O)N[C@@H]1CCCC[C@@H]1C1CC1 575513045 352476042 /nfs/dbraw/zinc/47/60/42/352476042.db2.gz XVKOIFBBYDUWAM-RKDXNWHRSA-N 0 0 182.267 1.624 10 0 ADAERN N#CNC[C@H]1C[C@@H]1C1CC1 575522798 352523460 /nfs/dbraw/zinc/52/34/60/352523460.db2.gz YDGCLKXVQFYPHX-HTQZYQBOSA-N 0 0 136.198 1.103 10 0 ADAERN Cc1c(F)ncnc1N[C@@H]1C[C@H]1C 575513358 352477236 /nfs/dbraw/zinc/47/72/36/352477236.db2.gz ABRDLHASGSJOEP-IYSWYEEDSA-N 0 0 181.214 1.744 10 0 ADAERN Cc1c(F)ncnc1N[C@@H]1C[C@@H]1C 575513356 352477281 /nfs/dbraw/zinc/47/72/81/352477281.db2.gz ABRDLHASGSJOEP-CAHLUQPWSA-N 0 0 181.214 1.744 10 0 ADAERN Cc1c(F)ncnc1N[C@H]1C[C@H]1C 575513359 352477335 /nfs/dbraw/zinc/47/73/35/352477335.db2.gz ABRDLHASGSJOEP-VDTYLAMSSA-N 0 0 181.214 1.744 10 0 ADAERN C[C@@H]1CN[C@H](c2cn[nH]c2)S1 575513503 352477714 /nfs/dbraw/zinc/47/77/14/352477714.db2.gz CKYAAVTVCSDDGK-VDTYLAMSSA-N 0 0 169.253 1.133 10 0 ADAERN CC[C@]1(C2CCC2)NC(=O)CC1=O 575513432 352477722 /nfs/dbraw/zinc/47/77/22/352477722.db2.gz BOQCPWRXRBVFTN-SNVBAGLBSA-N 0 0 181.235 1.024 10 0 ADAERN Cc1c(F)ncnc1NC(C)C 575513443 352477750 /nfs/dbraw/zinc/47/77/50/352477750.db2.gz BWXBFFXDRCISJC-UHFFFAOYSA-N 0 0 169.203 1.744 10 0 ADAERN C[C@H]1CN[C@@H](c2cn[nH]c2)S1 575513500 352477946 /nfs/dbraw/zinc/47/79/46/352477946.db2.gz CKYAAVTVCSDDGK-CAHLUQPWSA-N 0 0 169.253 1.133 10 0 ADAERN CC[C@@]1(C2CCC2)NC(=O)CC1=O 575513431 352478014 /nfs/dbraw/zinc/47/80/14/352478014.db2.gz BOQCPWRXRBVFTN-JTQLQIEISA-N 0 0 181.235 1.024 10 0 ADAERN C[C@H]1CN[C@H](c2cn[nH]c2)S1 575513501 352478198 /nfs/dbraw/zinc/47/81/98/352478198.db2.gz CKYAAVTVCSDDGK-FSPLSTOPSA-N 0 0 169.253 1.133 10 0 ADAERN C[C@@H]1CN[C@@H](c2cn[nH]c2)S1 575513502 352478233 /nfs/dbraw/zinc/47/82/33/352478233.db2.gz CKYAAVTVCSDDGK-IYSWYEEDSA-N 0 0 169.253 1.133 10 0 ADAERN C[C@H]1CCN[C@@H](c2cn[nH]c2)S1 575513592 352478587 /nfs/dbraw/zinc/47/85/87/352478587.db2.gz GMVGOOYKFBUVJZ-POYBYMJQSA-N 0 0 183.280 1.523 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)NC(=O)CC2=O 575513559 352478600 /nfs/dbraw/zinc/47/86/00/352478600.db2.gz CMSSXYRFDRVTHJ-XCBNKYQSSA-N 0 0 181.235 1.024 10 0 ADAERN C[C@H]1CN[C@H](c2cn[nH]c2)SC1 575513573 352478606 /nfs/dbraw/zinc/47/86/06/352478606.db2.gz GEYLFVZXTGWZHL-XPUUQOCRSA-N 0 0 183.280 1.381 10 0 ADAERN C[C@@H]([C@@H]1NC(=O)CC1=O)C(C)(C)C 575513551 352478620 /nfs/dbraw/zinc/47/86/20/352478620.db2.gz CMGDFSNCJMKGPO-RCOVLWMOSA-N 0 0 183.251 1.126 10 0 ADAERN C[C@@H]1CCN[C@H](c2cn[nH]c2)S1 575513593 352478626 /nfs/dbraw/zinc/47/86/26/352478626.db2.gz GMVGOOYKFBUVJZ-SVRRBLITSA-N 0 0 183.280 1.523 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)NC(=O)CC2=O 575513556 352478673 /nfs/dbraw/zinc/47/86/73/352478673.db2.gz CMSSXYRFDRVTHJ-GMSGAONNSA-N 0 0 181.235 1.024 10 0 ADAERN C[C@H]1CCN[C@H](c2cn[nH]c2)S1 575513594 352478719 /nfs/dbraw/zinc/47/87/19/352478719.db2.gz GMVGOOYKFBUVJZ-XPUUQOCRSA-N 0 0 183.280 1.523 10 0 ADAERN CC1(C)CS[C@@H](c2cn[nH]c2)N1 575513505 352478732 /nfs/dbraw/zinc/47/87/32/352478732.db2.gz CQBRDGZMOAQGMN-ZETCQYMHSA-N 0 0 183.280 1.523 10 0 ADAERN C[C@H]1CCC[C@]2(C1)NC(=O)CC2=O 575513557 352478740 /nfs/dbraw/zinc/47/87/40/352478740.db2.gz CMSSXYRFDRVTHJ-OIBJUYFYSA-N 0 0 181.235 1.024 10 0 ADAERN C[C@H]1CN[C@@H](c2cn[nH]c2)SC1 575513570 352478745 /nfs/dbraw/zinc/47/87/45/352478745.db2.gz GEYLFVZXTGWZHL-POYBYMJQSA-N 0 0 183.280 1.381 10 0 ADAERN Cc1nc([C@@H](N)c2cncs2)co1 575513538 352478781 /nfs/dbraw/zinc/47/87/81/352478781.db2.gz CHWQMWYHGYVALX-MRVPVSSYSA-N 0 0 195.247 1.488 10 0 ADAERN C[C@]1(CC2CCC2)NC(=O)CC1=O 575513588 352478816 /nfs/dbraw/zinc/47/88/16/352478816.db2.gz CVPZRDBWZKPKJU-SNVBAGLBSA-N 0 0 181.235 1.024 10 0 ADAERN C[C@H]1CCC[C@@]2(C1)NC(=O)CC2=O 575513561 352478823 /nfs/dbraw/zinc/47/88/23/352478823.db2.gz CMSSXYRFDRVTHJ-XVKPBYJWSA-N 0 0 181.235 1.024 10 0 ADAERN Cc1c(F)ncnc1NC1CC1 575513646 352478891 /nfs/dbraw/zinc/47/88/91/352478891.db2.gz DLXOPEMENYSTFW-UHFFFAOYSA-N 0 0 167.187 1.498 10 0 ADAERN C[C@@H]([C@H]1NC(=O)CC1=O)C(C)(C)C 575513549 352478999 /nfs/dbraw/zinc/47/89/99/352478999.db2.gz CMGDFSNCJMKGPO-IMTBSYHQSA-N 0 0 183.251 1.126 10 0 ADAERN C[C@H]([C@@H]1NC(=O)CC1=O)C(C)(C)C 575513550 352479068 /nfs/dbraw/zinc/47/90/68/352479068.db2.gz CMGDFSNCJMKGPO-MUWHJKNJSA-N 0 0 183.251 1.126 10 0 ADAERN C[C@@H]1CN[C@H](c2cn[nH]c2)SC1 575513572 352479075 /nfs/dbraw/zinc/47/90/75/352479075.db2.gz GEYLFVZXTGWZHL-SVRRBLITSA-N 0 0 183.280 1.381 10 0 ADAERN C[C@@H]1CCN[C@@H](c2cn[nH]c2)S1 575513583 352479098 /nfs/dbraw/zinc/47/90/98/352479098.db2.gz GMVGOOYKFBUVJZ-HTRCEHHLSA-N 0 0 183.280 1.523 10 0 ADAERN C[C@@H]1CN[C@@H](c2cn[nH]c2)SC1 575513565 352479107 /nfs/dbraw/zinc/47/91/07/352479107.db2.gz GEYLFVZXTGWZHL-HTRCEHHLSA-N 0 0 183.280 1.381 10 0 ADAERN C[C@H]([C@H]1NC(=O)CC1=O)C(C)(C)C 575513548 352479139 /nfs/dbraw/zinc/47/91/39/352479139.db2.gz CMGDFSNCJMKGPO-HZGVNTEJSA-N 0 0 183.251 1.126 10 0 ADAERN CC1(C)CS[C@H](c2cn[nH]c2)N1 575513504 352479165 /nfs/dbraw/zinc/47/91/65/352479165.db2.gz CQBRDGZMOAQGMN-SSDOTTSWSA-N 0 0 183.280 1.523 10 0 ADAERN Cc1nc([C@H](N)c2cncs2)co1 575513539 352479177 /nfs/dbraw/zinc/47/91/77/352479177.db2.gz CHWQMWYHGYVALX-QMMMGPOBSA-N 0 0 195.247 1.488 10 0 ADAERN C[C@@]1(CC2CCC2)NC(=O)CC1=O 575513587 352479251 /nfs/dbraw/zinc/47/92/51/352479251.db2.gz CVPZRDBWZKPKJU-JTQLQIEISA-N 0 0 181.235 1.024 10 0 ADAERN C[C@H]1CS[C@H](c2cn[nH]c2)N1 575513763 352479564 /nfs/dbraw/zinc/47/95/64/352479564.db2.gz JYFHRGZERMXCIX-CAHLUQPWSA-N 0 0 169.253 1.133 10 0 ADAERN Cc1ccc([C@H]2NC(=O)CC2=O)s1 575513684 352479935 /nfs/dbraw/zinc/47/99/35/352479935.db2.gz FMHWNOQLUWLZCG-VIFPVBQESA-N 0 0 195.243 1.187 10 0 ADAERN C[C@@H]1CS[C@@H](c2cn[nH]c2)N1 575513768 352480040 /nfs/dbraw/zinc/48/00/40/352480040.db2.gz JYFHRGZERMXCIX-VDTYLAMSSA-N 0 0 169.253 1.133 10 0 ADAERN Cc1ccc([C@@H]2NC(=O)CC2=O)s1 575513683 352480045 /nfs/dbraw/zinc/48/00/45/352480045.db2.gz FMHWNOQLUWLZCG-SECBINFHSA-N 0 0 195.243 1.187 10 0 ADAERN N#CNCc1cccc2c1OCC2 575513708 352480099 /nfs/dbraw/zinc/48/00/99/352480099.db2.gz IRBOSVVATMJRGM-UHFFFAOYSA-N 0 0 174.203 1.192 10 0 ADAERN C[C@@H]1CS[C@H](c2cn[nH]c2)N1 575513767 352480102 /nfs/dbraw/zinc/48/01/02/352480102.db2.gz JYFHRGZERMXCIX-IYSWYEEDSA-N 0 0 169.253 1.133 10 0 ADAERN C[C@H]1CS[C@@H](c2cn[nH]c2)N1 575513765 352480107 /nfs/dbraw/zinc/48/01/07/352480107.db2.gz JYFHRGZERMXCIX-FSPLSTOPSA-N 0 0 169.253 1.133 10 0 ADAERN Cn1nc([C@@H]2C[C@@H]2C2CC2)cc1N 575513883 352480499 /nfs/dbraw/zinc/48/04/99/352480499.db2.gz ANZWUKKBMVIVOD-HTQZYQBOSA-N 0 0 177.251 1.516 10 0 ADAERN Cn1nc([C@H]2C[C@@H]2C2CC2)cc1N 575513887 352480570 /nfs/dbraw/zinc/48/05/70/352480570.db2.gz ANZWUKKBMVIVOD-SFYZADRCSA-N 0 0 177.251 1.516 10 0 ADAERN Cn1nc([C@H]2C[C@H]2C2CC2)cc1N 575513889 352480611 /nfs/dbraw/zinc/48/06/11/352480611.db2.gz ANZWUKKBMVIVOD-YUMQZZPRSA-N 0 0 177.251 1.516 10 0 ADAERN Cn1nc([C@@H]2C[C@H]2C2CC2)cc1N 575513884 352480650 /nfs/dbraw/zinc/48/06/50/352480650.db2.gz ANZWUKKBMVIVOD-JGVFFNPUSA-N 0 0 177.251 1.516 10 0 ADAERN CCC1CN(c2cccnc2N)C1 575513899 352480785 /nfs/dbraw/zinc/48/07/85/352480785.db2.gz BCJSUOAYEPPFES-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN CC1CN(c2nc(Cl)ccc2N)C1 575513943 352480999 /nfs/dbraw/zinc/48/09/99/352480999.db2.gz CLCBLHROFNQERR-UHFFFAOYSA-N 0 0 197.669 1.773 10 0 ADAERN CC[C@H]1CC[C@]2(C1)NC(=O)CC2=O 575514020 352481095 /nfs/dbraw/zinc/48/10/95/352481095.db2.gz IDWINIRAJPMULY-OIBJUYFYSA-N 0 0 181.235 1.024 10 0 ADAERN CC[C@@H]1CC[C@]2(C1)NC(=O)CC2=O 575514019 352481115 /nfs/dbraw/zinc/48/11/15/352481115.db2.gz IDWINIRAJPMULY-GMSGAONNSA-N 0 0 181.235 1.024 10 0 ADAERN CC1CN(C(=O)c2sccc2N)C1 575513924 352481144 /nfs/dbraw/zinc/48/11/44/352481144.db2.gz BXSQPJCGXJKRSI-UHFFFAOYSA-N 0 0 196.275 1.422 10 0 ADAERN Nc1cc([C@H]2C[C@H]2C2CC2)no1 575513918 352481151 /nfs/dbraw/zinc/48/11/51/352481151.db2.gz BVKFBKSLTHUNAE-BQBZGAKWSA-N 0 0 164.208 1.770 10 0 ADAERN CC[C@@H]1CC[C@@]2(C1)NC(=O)CC2=O 575514021 352481283 /nfs/dbraw/zinc/48/12/83/352481283.db2.gz IDWINIRAJPMULY-XCBNKYQSSA-N 0 0 181.235 1.024 10 0 ADAERN Nc1cc([C@@H]2C[C@H]2C2CC2)no1 575513919 352481296 /nfs/dbraw/zinc/48/12/96/352481296.db2.gz BVKFBKSLTHUNAE-NKWVEPMBSA-N 0 0 164.208 1.770 10 0 ADAERN CC(C)(C)C[C@@]1(C)NC(=O)CC1=O 575513988 352481301 /nfs/dbraw/zinc/48/13/01/352481301.db2.gz HIRHHPHEAZJRQI-SNVBAGLBSA-N 0 0 183.251 1.270 10 0 ADAERN Nc1cc([C@@H]2C[C@@H]2C2CC2)no1 575513920 352481302 /nfs/dbraw/zinc/48/13/02/352481302.db2.gz BVKFBKSLTHUNAE-RNFRBKRXSA-N 0 0 164.208 1.770 10 0 ADAERN CC[C@H]1CC[C@@]2(C1)NC(=O)CC2=O 575514022 352481449 /nfs/dbraw/zinc/48/14/49/352481449.db2.gz IDWINIRAJPMULY-XVKPBYJWSA-N 0 0 181.235 1.024 10 0 ADAERN CC1CN(c2ncnc(Cl)c2N)C1 575513944 352481486 /nfs/dbraw/zinc/48/14/86/352481486.db2.gz CLUUZAMVCBDETC-UHFFFAOYSA-N 0 0 198.657 1.168 10 0 ADAERN CC1CCC2(CC1)NC(=O)CC2=O 575514083 352481906 /nfs/dbraw/zinc/48/19/06/352481906.db2.gz ISZCQXVLTHSZBO-UHFFFAOYSA-N 0 0 181.235 1.024 10 0 ADAERN Nc1ncccc1N1CC[C@@H](F)C1 575514118 352482003 /nfs/dbraw/zinc/48/20/03/352482003.db2.gz DKXXXAQPKXKVIQ-SSDOTTSWSA-N 0 0 181.214 1.212 10 0 ADAERN Nc1ncccc1N1CC[C@H](F)C1 575514120 352482246 /nfs/dbraw/zinc/48/22/46/352482246.db2.gz DKXXXAQPKXKVIQ-ZETCQYMHSA-N 0 0 181.214 1.212 10 0 ADAERN C[C@H]1CCS[C@H](c2cn[nH]c2)N1 575514114 352482132 /nfs/dbraw/zinc/48/21/32/352482132.db2.gz SHBMTCITBGHIOZ-POYBYMJQSA-N 0 0 183.280 1.523 10 0 ADAERN Cc1c(F)ncnc1NC1(C)CC1 575514056 352482139 /nfs/dbraw/zinc/48/21/39/352482139.db2.gz IONBCZAXUIZMOP-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN C[C@@H]1CCS[C@@H](c2cn[nH]c2)N1 575514115 352482198 /nfs/dbraw/zinc/48/21/98/352482198.db2.gz SHBMTCITBGHIOZ-SVRRBLITSA-N 0 0 183.280 1.523 10 0 ADAERN C[C@H]1CCS[C@@H](c2cn[nH]c2)N1 575514116 352482319 /nfs/dbraw/zinc/48/23/19/352482319.db2.gz SHBMTCITBGHIOZ-XPUUQOCRSA-N 0 0 183.280 1.523 10 0 ADAERN C[C@@H]1CCS[C@H](c2cn[nH]c2)N1 575514113 352482332 /nfs/dbraw/zinc/48/23/32/352482332.db2.gz SHBMTCITBGHIOZ-HTRCEHHLSA-N 0 0 183.280 1.523 10 0 ADAERN Cc1cc(N)cnc1N1CC(C)C1 575514253 352482729 /nfs/dbraw/zinc/48/27/29/352482729.db2.gz GQTQUAQTOSDVRS-UHFFFAOYSA-N 0 0 177.251 1.428 10 0 ADAERN CC1CN(c2ncc(Cl)cc2N)C1 575514189 352482597 /nfs/dbraw/zinc/48/25/97/352482597.db2.gz FPWAUVYEBQCENK-UHFFFAOYSA-N 0 0 197.669 1.773 10 0 ADAERN Nc1cnc(N2CC[C@H](F)C2)s1 575514262 352482655 /nfs/dbraw/zinc/48/26/55/352482655.db2.gz GWBHLMKWNVZIBE-YFKPBYRVSA-N 0 0 187.243 1.274 10 0 ADAERN Nc1cnc(N2CC[C@@H](F)C2)s1 575514261 352482837 /nfs/dbraw/zinc/48/28/37/352482837.db2.gz GWBHLMKWNVZIBE-RXMQYKEDSA-N 0 0 187.243 1.274 10 0 ADAERN C[C@@H](CNC#N)C1CCC1 575514231 352482908 /nfs/dbraw/zinc/48/29/08/352482908.db2.gz WZKDHNGVRLVGES-ZETCQYMHSA-N 0 0 138.214 1.493 10 0 ADAERN C[C@H](CNC#N)C1CCC1 575514230 352482951 /nfs/dbraw/zinc/48/29/51/352482951.db2.gz WZKDHNGVRLVGES-SSDOTTSWSA-N 0 0 138.214 1.493 10 0 ADAERN CC1CN(c2ccc(N)c(N)c2)C1 575514508 352484414 /nfs/dbraw/zinc/48/44/14/352484414.db2.gz ILPIVJXBDRDVDZ-UHFFFAOYSA-N 0 0 177.251 1.307 10 0 ADAERN CC1CN(c2ncc(N)s2)C1 575514712 352485092 /nfs/dbraw/zinc/48/50/92/352485092.db2.gz KDEBBWHSSOWZOG-UHFFFAOYSA-N 0 0 169.253 1.181 10 0 ADAERN Nc1ccc(-c2cncs2)cc1N 575514662 352485135 /nfs/dbraw/zinc/48/51/35/352485135.db2.gz JRPRUEAVYYKYDS-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN N[C@H](c1ccccn1)c1cncs1 575514675 352485137 /nfs/dbraw/zinc/48/51/37/352485137.db2.gz LVEUPUNKPLEKCE-SECBINFHSA-N 0 0 191.259 1.586 10 0 ADAERN C[C@H]1CCCC[C@@]12NC(=O)CC2=O 575514635 352485141 /nfs/dbraw/zinc/48/51/41/352485141.db2.gz LIBRXUWIUHGQPE-OIBJUYFYSA-N 0 0 181.235 1.024 10 0 ADAERN C[C@@H]1CCCC[C@@]12NC(=O)CC2=O 575514626 352485144 /nfs/dbraw/zinc/48/51/44/352485144.db2.gz LIBRXUWIUHGQPE-GMSGAONNSA-N 0 0 181.235 1.024 10 0 ADAERN N[C@@H](c1ccccn1)c1cncs1 575514677 352485165 /nfs/dbraw/zinc/48/51/65/352485165.db2.gz LVEUPUNKPLEKCE-VIFPVBQESA-N 0 0 191.259 1.586 10 0 ADAERN C[C@@H]1CCCC[C@]12NC(=O)CC2=O 575514637 352485169 /nfs/dbraw/zinc/48/51/69/352485169.db2.gz LIBRXUWIUHGQPE-XCBNKYQSSA-N 0 0 181.235 1.024 10 0 ADAERN CC(=O)c1c(C2CCC2)cnn1C 575514744 352485202 /nfs/dbraw/zinc/48/52/02/352485202.db2.gz MLYKSBAAOYXMCB-UHFFFAOYSA-N 0 0 178.235 1.890 10 0 ADAERN C[C@H]1CCCC[C@]12NC(=O)CC2=O 575514640 352485232 /nfs/dbraw/zinc/48/52/32/352485232.db2.gz LIBRXUWIUHGQPE-XVKPBYJWSA-N 0 0 181.235 1.024 10 0 ADAERN CC1CN(c2cc(N)cc(Cl)n2)C1 575514917 352486174 /nfs/dbraw/zinc/48/61/74/352486174.db2.gz KVFOHJYMUOIEJM-UHFFFAOYSA-N 0 0 197.669 1.773 10 0 ADAERN C/C=C/C[C@H]1C(=O)CO[C@H]1C 575515082 352486572 /nfs/dbraw/zinc/48/65/72/352486572.db2.gz NJYBHIQVCWCFEB-XMYQNILUSA-N 0 0 154.209 1.557 10 0 ADAERN CCNC(=S)N1CCC[C@H](F)C1 575515123 352486641 /nfs/dbraw/zinc/48/66/41/352486641.db2.gz MQPHYNCFSMZQAE-ZETCQYMHSA-N 0 0 190.287 1.315 10 0 ADAERN C/C=C/C[C@H]1C(=O)CO[C@@H]1C 575515081 352486745 /nfs/dbraw/zinc/48/67/45/352486745.db2.gz NJYBHIQVCWCFEB-ATXJSMISSA-N 0 0 154.209 1.557 10 0 ADAERN CCNC(=S)N1CCC[C@@H](F)C1 575515122 352486932 /nfs/dbraw/zinc/48/69/32/352486932.db2.gz MQPHYNCFSMZQAE-SSDOTTSWSA-N 0 0 190.287 1.315 10 0 ADAERN CC1CN(c2ccc(N)cn2)C1 575515195 352487212 /nfs/dbraw/zinc/48/72/12/352487212.db2.gz NIFAUCAIPFWWKN-UHFFFAOYSA-N 0 0 163.224 1.120 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CO[C@@H](C)[C@@H]1C 575515184 352487265 /nfs/dbraw/zinc/48/72/65/352487265.db2.gz QCDMHBMCIPJEEN-VSXNJVAHSA-N 0 0 183.251 1.102 10 0 ADAERN Nc1nsnc1-c1cncs1 575515193 352487588 /nfs/dbraw/zinc/48/75/88/352487588.db2.gz NHLYHBJGLBUCOI-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CO[C@@H](C)[C@H]1C 575515170 352487605 /nfs/dbraw/zinc/48/76/05/352487605.db2.gz QCDMHBMCIPJEEN-UNISNWAASA-N 0 0 183.251 1.102 10 0 ADAERN C[C@H]1OCC(=O)[C@H]1C/C=C/Cl 575515357 352488012 /nfs/dbraw/zinc/48/80/12/352488012.db2.gz VWKNCDISFXIIKL-HRIRBXQDSA-N 0 0 174.627 1.733 10 0 ADAERN C[C@H]1OCC(=O)[C@@H]1C/C=C/Cl 575515348 352488050 /nfs/dbraw/zinc/48/80/50/352488050.db2.gz VWKNCDISFXIIKL-BHXFDUKQSA-N 0 0 174.627 1.733 10 0 ADAERN CC[C@@H]1CCC[C@]12NC(=O)CC2=O 575515336 352488062 /nfs/dbraw/zinc/48/80/62/352488062.db2.gz QETNWJWGKQJFSP-XCBNKYQSSA-N 0 0 181.235 1.024 10 0 ADAERN CC[C@@H]1CCC[C@@]12NC(=O)CC2=O 575515323 352488180 /nfs/dbraw/zinc/48/81/80/352488180.db2.gz QETNWJWGKQJFSP-GMSGAONNSA-N 0 0 181.235 1.024 10 0 ADAERN Cc1nn(C)c(N)c1-c1cncs1 575515338 352488462 /nfs/dbraw/zinc/48/84/62/352488462.db2.gz OEOGSQUTHXDRQI-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CC[C@H]1CCC[C@]12NC(=O)CC2=O 575515340 352488516 /nfs/dbraw/zinc/48/85/16/352488516.db2.gz QETNWJWGKQJFSP-XVKPBYJWSA-N 0 0 181.235 1.024 10 0 ADAERN CC[C@H]1CCC[C@@]12NC(=O)CC2=O 575515330 352488541 /nfs/dbraw/zinc/48/85/41/352488541.db2.gz QETNWJWGKQJFSP-OIBJUYFYSA-N 0 0 181.235 1.024 10 0 ADAERN Cc1ncsc1-c1nccnc1N 575515487 352489189 /nfs/dbraw/zinc/48/91/89/352489189.db2.gz OSTPECBZFFSSER-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1([C@H]2NC(=O)CC2=O)CCCC1 575515686 352489599 /nfs/dbraw/zinc/48/95/99/352489599.db2.gz SDTJSZUWKRFWNK-VIFPVBQESA-N 0 0 181.235 1.024 10 0 ADAERN O=C1CCC[C@H]1N1CCC[C@H](F)C1 575515530 352489605 /nfs/dbraw/zinc/48/96/05/352489605.db2.gz PQYQQZQRTDXFEN-DTWKUNHWSA-N 0 0 185.242 1.542 10 0 ADAERN CC1([C@@H]2NC(=O)CC2=O)CCCC1 575515685 352489615 /nfs/dbraw/zinc/48/96/15/352489615.db2.gz SDTJSZUWKRFWNK-SECBINFHSA-N 0 0 181.235 1.024 10 0 ADAERN O=C1CCC[C@@H]1N1CCC[C@H](F)C1 575515531 352489744 /nfs/dbraw/zinc/48/97/44/352489744.db2.gz PQYQQZQRTDXFEN-IUCAKERBSA-N 0 0 185.242 1.542 10 0 ADAERN Cc1ncsc1C1(F)CNC1 575515522 352489789 /nfs/dbraw/zinc/48/97/89/352489789.db2.gz POXAHZJREZJUFU-UHFFFAOYSA-N 0 0 172.228 1.220 10 0 ADAERN CC1(C)CC[C@@]2(C1)NC(=O)CC2=O 575515673 352489845 /nfs/dbraw/zinc/48/98/45/352489845.db2.gz RUWJLZAWLUNDNR-JTQLQIEISA-N 0 0 181.235 1.024 10 0 ADAERN O=C1CCC[C@H]1N1CCC[C@@H](F)C1 575515533 352489871 /nfs/dbraw/zinc/48/98/71/352489871.db2.gz PQYQQZQRTDXFEN-RKDXNWHRSA-N 0 0 185.242 1.542 10 0 ADAERN CC1CN(c2ncc(N)cc2Cl)C1 575515643 352489896 /nfs/dbraw/zinc/48/98/96/352489896.db2.gz RSEQIHPNOQHLNX-UHFFFAOYSA-N 0 0 197.669 1.773 10 0 ADAERN CNc1cnc(-c2cncs2)cn1 575515556 352489936 /nfs/dbraw/zinc/48/99/36/352489936.db2.gz QUWJOTBADBWCGZ-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CC1(C)CC[C@]2(C1)NC(=O)CC2=O 575515674 352489998 /nfs/dbraw/zinc/48/99/98/352489998.db2.gz RUWJLZAWLUNDNR-SNVBAGLBSA-N 0 0 181.235 1.024 10 0 ADAERN CCC1CN(c2ccc(N)cn2)C1 575515534 352490020 /nfs/dbraw/zinc/49/00/20/352490020.db2.gz PRZSVMZBBQHKCP-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN CNc1nsnc1-c1cncs1 575515545 352490044 /nfs/dbraw/zinc/49/00/44/352490044.db2.gz QISCOQDUGNWWPF-UHFFFAOYSA-N 0 0 198.276 1.703 10 0 ADAERN O=C1CCC[C@@H]1N1CCC[C@@H](F)C1 575515523 352490082 /nfs/dbraw/zinc/49/00/82/352490082.db2.gz PQYQQZQRTDXFEN-BDAKNGLRSA-N 0 0 185.242 1.542 10 0 ADAERN CC1CN(c2nc(Cl)ncc2N)C1 575515710 352490205 /nfs/dbraw/zinc/49/02/05/352490205.db2.gz SVLLAZSYCIDUNE-UHFFFAOYSA-N 0 0 198.657 1.168 10 0 ADAERN CCC1CN(c2ncccc2N)C1 575515732 352490248 /nfs/dbraw/zinc/49/02/48/352490248.db2.gz SYRFGIQHGIZKNY-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN Cc1c(F)ncnc1NC1CCC1 575515771 352490537 /nfs/dbraw/zinc/49/05/37/352490537.db2.gz SXTIDCFWEADVFP-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN Nc1nccnc1-c1cncs1 575515850 352491042 /nfs/dbraw/zinc/49/10/42/352491042.db2.gz VGLLOZVXTJZSNC-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CC1CN(c2c(N)cncc2Cl)C1 575515929 352491369 /nfs/dbraw/zinc/49/13/69/352491369.db2.gz VTEQYFXFCMMRED-UHFFFAOYSA-N 0 0 197.669 1.773 10 0 ADAERN CC1CN(c2ncc(F)cc2N)C1 575515854 352491463 /nfs/dbraw/zinc/49/14/63/352491463.db2.gz VGNMQMZAAXGSQD-UHFFFAOYSA-N 0 0 181.214 1.259 10 0 ADAERN Cc1ncsc1-c1c[nH+]ccc1N 575516039 352491812 /nfs/dbraw/zinc/49/18/12/352491812.db2.gz XCVYOFWNQONABI-UHFFFAOYSA-N 0 0 191.259 1.926 10 0 ADAERN C[C@]1(C2CCCC2)NC(=O)CC1=O 575515958 352491850 /nfs/dbraw/zinc/49/18/50/352491850.db2.gz VUWCIHJIWGDZPX-SNVBAGLBSA-N 0 0 181.235 1.024 10 0 ADAERN Nc1cnc(-c2cncs2)cn1 575515938 352491860 /nfs/dbraw/zinc/49/18/60/352491860.db2.gz VXJYGGMHSQROSC-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CNc1cncc(-c2cncs2)n1 575515936 352491920 /nfs/dbraw/zinc/49/19/20/352491920.db2.gz VXACAOODHGLFKC-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN O=C1CC(=O)[C@@H](CC2CCCC2)N1 575516071 352491935 /nfs/dbraw/zinc/49/19/35/352491935.db2.gz WTKXYRVYJJZXJI-MRVPVSSYSA-N 0 0 181.235 1.024 10 0 ADAERN O=C1CC(=O)[C@H](CC2CCCC2)N1 575516073 352491948 /nfs/dbraw/zinc/49/19/48/352491948.db2.gz WTKXYRVYJJZXJI-QMMMGPOBSA-N 0 0 181.235 1.024 10 0 ADAERN [NH3+]Cc1occc1-c1cncs1 575516016 352491979 /nfs/dbraw/zinc/49/19/79/352491979.db2.gz WPQFEGNXLSKCMO-UHFFFAOYSA-N 0 0 180.232 1.862 10 0 ADAERN C[C@@]1(C2CCCC2)NC(=O)CC1=O 575515956 352492035 /nfs/dbraw/zinc/49/20/35/352492035.db2.gz VUWCIHJIWGDZPX-JTQLQIEISA-N 0 0 181.235 1.024 10 0 ADAERN CSC[C@H]([NH3+])c1cncs1 575516081 352492101 /nfs/dbraw/zinc/49/21/01/352492101.db2.gz WYKKXPQHLJINRF-YFKPBYRVSA-N 0 0 174.294 1.506 10 0 ADAERN CSC[C@@H]([NH3+])c1cncs1 575516080 352492231 /nfs/dbraw/zinc/49/22/31/352492231.db2.gz WYKKXPQHLJINRF-RXMQYKEDSA-N 0 0 174.294 1.506 10 0 ADAERN Cc1cc([C@H]2NC(=O)CC2=O)cs1 575516151 352492730 /nfs/dbraw/zinc/49/27/30/352492730.db2.gz YAZMXLSTCNSDIT-SECBINFHSA-N 0 0 195.243 1.187 10 0 ADAERN CC1CN(c2ncccc2N)C1 575516232 352492783 /nfs/dbraw/zinc/49/27/83/352492783.db2.gz YIQDOJFZYUFLGD-UHFFFAOYSA-N 0 0 163.224 1.120 10 0 ADAERN Cc1cc([C@@H]2NC(=O)CC2=O)cs1 575516153 352492911 /nfs/dbraw/zinc/49/29/11/352492911.db2.gz YAZMXLSTCNSDIT-VIFPVBQESA-N 0 0 195.243 1.187 10 0 ADAERN [NH3+][C@H](c1cncs1)C1CSC1 575516282 352493260 /nfs/dbraw/zinc/49/32/60/352493260.db2.gz ZJBVZINGKORULH-ZETCQYMHSA-N 0 0 186.305 1.506 10 0 ADAERN [NH3+]C1(c2cncs2)CCOCC1 575516310 352493367 /nfs/dbraw/zinc/49/33/67/352493367.db2.gz ZLDVTKLFPCNGQI-UHFFFAOYSA-N 0 0 184.264 1.108 10 0 ADAERN [NH3+][C@@H](c1cncs1)C1CSC1 575516281 352493381 /nfs/dbraw/zinc/49/33/81/352493381.db2.gz ZJBVZINGKORULH-SSDOTTSWSA-N 0 0 186.305 1.506 10 0 ADAERN Cc1ncsc1-c1cncc(N)n1 575516314 352493565 /nfs/dbraw/zinc/49/35/65/352493565.db2.gz ZOPAVVAZYFALCH-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1(C)CCC[C@@]12NC(=O)CC2=O 575516327 352493588 /nfs/dbraw/zinc/49/35/88/352493588.db2.gz ZWVHOVNOXDDNSS-JTQLQIEISA-N 0 0 181.235 1.024 10 0 ADAERN CCC1CN(c2ncc(N)s2)C1 575516259 352493642 /nfs/dbraw/zinc/49/36/42/352493642.db2.gz YWODCEQMVKOBIG-UHFFFAOYSA-N 0 0 183.280 1.572 10 0 ADAERN CC1(C)CCC[C@]12NC(=O)CC2=O 575516328 352493660 /nfs/dbraw/zinc/49/36/60/352493660.db2.gz ZWVHOVNOXDDNSS-SNVBAGLBSA-N 0 0 181.235 1.024 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cncs1 575516813 352493792 /nfs/dbraw/zinc/49/37/92/352493792.db2.gz CNVQQFHCAKASIC-WDSKDSINSA-N 0 0 167.233 1.982 10 0 ADAERN 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/nfs/dbraw/zinc/50/00/39/352500039.db2.gz KHNNGDHTHUHVMA-ZETCQYMHSA-N 0 0 156.254 1.343 10 0 ADAERN Cc1ncsc1[C@@H](N)C(F)F 575518051 352500059 /nfs/dbraw/zinc/50/00/59/352500059.db2.gz JOPLNQXGMMIWDK-SCSAIBSYSA-N 0 0 178.207 1.716 10 0 ADAERN CCC(=O)c1cn2c(n1)CCCC2 575518018 352500078 /nfs/dbraw/zinc/50/00/78/352500078.db2.gz JFKLCRZKJVCZJH-UHFFFAOYSA-N 0 0 178.235 1.812 10 0 ADAERN Cc1ncsc1[C@H](N)C(F)F 575518042 352500087 /nfs/dbraw/zinc/50/00/87/352500087.db2.gz JOPLNQXGMMIWDK-BYPYZUCNSA-N 0 0 178.207 1.716 10 0 ADAERN O=CN[C@@H]1CCCSCC1 575518078 352500094 /nfs/dbraw/zinc/50/00/94/352500094.db2.gz KCUQIUKDDMQIRE-SSDOTTSWSA-N 0 0 159.254 1.018 10 0 ADAERN O=CN[C@H]1CCCSCC1 575518079 352500224 /nfs/dbraw/zinc/50/02/24/352500224.db2.gz KCUQIUKDDMQIRE-ZETCQYMHSA-N 0 0 159.254 1.018 10 0 ADAERN C=CC(=O)N[C@H]1CCCSCC1 575518134 352500510 /nfs/dbraw/zinc/50/05/10/352500510.db2.gz LHUJQRZJBIUXRI-QMMMGPOBSA-N 0 0 185.292 1.574 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12CCCSCC2 575518151 352500524 /nfs/dbraw/zinc/50/05/24/352500524.db2.gz LTNCNSGTSYKBGG-WPRPVWTQSA-N 0 0 199.319 1.798 10 0 ADAERN O=C1C[C@@]2(CCCSCC2)CN1 575518108 352500553 /nfs/dbraw/zinc/50/05/53/352500553.db2.gz KRHDDAQBILSHKN-VIFPVBQESA-N 0 0 185.292 1.410 10 0 ADAERN C[C@H]1NC(=O)C[C@@]12CCCSCC2 575518148 352500560 /nfs/dbraw/zinc/50/05/60/352500560.db2.gz LTNCNSGTSYKBGG-SCZZXKLOSA-N 0 0 199.319 1.798 10 0 ADAERN C[C@@H]1NC(=O)C[C@]12CCCSCC2 575518150 352500591 /nfs/dbraw/zinc/50/05/91/352500591.db2.gz LTNCNSGTSYKBGG-WCBMZHEXSA-N 0 0 199.319 1.798 10 0 ADAERN C[C@H]1NC(=O)C[C@]12CCCSCC2 575518147 352500602 /nfs/dbraw/zinc/50/06/02/352500602.db2.gz LTNCNSGTSYKBGG-PSASIEDQSA-N 0 0 199.319 1.798 10 0 ADAERN O=C1CCCC[C@@H]1N1CC[C@@H](F)C1 575518223 352500606 /nfs/dbraw/zinc/50/06/06/352500606.db2.gz RBNXVJJNUSRGMJ-BDAKNGLRSA-N 0 0 185.242 1.542 10 0 ADAERN O=C1C[C@]2(CCCSCC2)CN1 575518107 352500614 /nfs/dbraw/zinc/50/06/14/352500614.db2.gz KRHDDAQBILSHKN-SECBINFHSA-N 0 0 185.292 1.410 10 0 ADAERN C=CC(=O)N[C@@H]1CCCSCC1 575518131 352500619 /nfs/dbraw/zinc/50/06/19/352500619.db2.gz LHUJQRZJBIUXRI-MRVPVSSYSA-N 0 0 185.292 1.574 10 0 ADAERN O=C1CCCC[C@@H]1N1CC[C@H](F)C1 575518225 352500691 /nfs/dbraw/zinc/50/06/91/352500691.db2.gz RBNXVJJNUSRGMJ-IUCAKERBSA-N 0 0 185.242 1.542 10 0 ADAERN O=C(c1cncs1)[C@@H]1[C@H]2COC[C@H]21 575518177 352500726 /nfs/dbraw/zinc/50/07/26/352500726.db2.gz QDRLMGFUOFGNHJ-BDINMYNLSA-N 0 0 195.243 1.218 10 0 ADAERN O=C1CCC[C@@H]1c1cncs1 575518184 352500780 /nfs/dbraw/zinc/50/07/80/352500780.db2.gz QGGYVMXDZSZUQH-LURJTMIESA-N 0 0 167.233 1.980 10 0 ADAERN O=C1CCCC[C@H]1N1CC[C@@H](F)C1 575518227 352500830 /nfs/dbraw/zinc/50/08/30/352500830.db2.gz RBNXVJJNUSRGMJ-RKDXNWHRSA-N 0 0 185.242 1.542 10 0 ADAERN O=C1CCC[C@H]1c1cncs1 575518185 352500859 /nfs/dbraw/zinc/50/08/59/352500859.db2.gz QGGYVMXDZSZUQH-ZCFIWIBFSA-N 0 0 167.233 1.980 10 0 ADAERN O=C1CCCC[C@H]1N1CC[C@H](F)C1 575518224 352500864 /nfs/dbraw/zinc/50/08/64/352500864.db2.gz RBNXVJJNUSRGMJ-DTWKUNHWSA-N 0 0 185.242 1.542 10 0 ADAERN NC1=N[C@]2(CCCSCC2)CO1 575518315 352501293 /nfs/dbraw/zinc/50/12/93/352501293.db2.gz MHIQUZBXOXFTHI-QMMMGPOBSA-N 0 0 186.280 1.197 10 0 ADAERN CCC(=O)N[C@@H]1CCCSCC1 575518328 352501316 /nfs/dbraw/zinc/50/13/16/352501316.db2.gz MRSDOMOYLYIYEA-MRVPVSSYSA-N 0 0 187.308 1.798 10 0 ADAERN O=C(c1ccnnc1)c1cncs1 575518233 352501330 /nfs/dbraw/zinc/50/13/30/352501330.db2.gz RFORVOGEWZRPOF-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN Nc1cc(N2CC[C@H](F)C2)sn1 575518244 352501347 /nfs/dbraw/zinc/50/13/47/352501347.db2.gz RTRPELWGGFXRMY-YFKPBYRVSA-N 0 0 187.243 1.274 10 0 ADAERN O=C(N[C@@H]1CCCSCC1)C1CC1 575518318 352501358 /nfs/dbraw/zinc/50/13/58/352501358.db2.gz MJBDTANCZDHOJP-SECBINFHSA-N 0 0 199.319 1.798 10 0 ADAERN Nc1cc(N2CC[C@@H](F)C2)sn1 575518243 352501369 /nfs/dbraw/zinc/50/13/69/352501369.db2.gz RTRPELWGGFXRMY-RXMQYKEDSA-N 0 0 187.243 1.274 10 0 ADAERN CCC(=O)N[C@H]1CCCSCC1 575518329 352501382 /nfs/dbraw/zinc/50/13/82/352501382.db2.gz MRSDOMOYLYIYEA-QMMMGPOBSA-N 0 0 187.308 1.798 10 0 ADAERN Cc1ncsc1C(=O)[C@@H](C)O 575518357 352501421 /nfs/dbraw/zinc/50/14/21/352501421.db2.gz NSUNZQKMMUXVMN-RXMQYKEDSA-N 0 0 171.221 1.015 10 0 ADAERN Cc1ncsc1C(=O)[C@H](C)O 575518358 352501437 /nfs/dbraw/zinc/50/14/37/352501437.db2.gz NSUNZQKMMUXVMN-YFKPBYRVSA-N 0 0 171.221 1.015 10 0 ADAERN NC1=N[C@@]2(CCCSCC2)CO1 575518314 352501524 /nfs/dbraw/zinc/50/15/24/352501524.db2.gz MHIQUZBXOXFTHI-MRVPVSSYSA-N 0 0 186.280 1.197 10 0 ADAERN O=C(N[C@H]1CCCSCC1)C1CC1 575518319 352501554 /nfs/dbraw/zinc/50/15/54/352501554.db2.gz MJBDTANCZDHOJP-VIFPVBQESA-N 0 0 199.319 1.798 10 0 ADAERN CC(F)(F)C(=O)c1cncs1 575518251 352501566 /nfs/dbraw/zinc/50/15/66/352501566.db2.gz SILVYAQXUNLNJA-UHFFFAOYSA-N 0 0 177.175 1.981 10 0 ADAERN N[C@@H](c1cnsn1)c1cncs1 575518412 352502137 /nfs/dbraw/zinc/50/21/37/352502137.db2.gz OHUCZGWTGQHMPR-LURJTMIESA-N 0 0 198.276 1.043 10 0 ADAERN O=C(c1ncccn1)c1cncs1 575518486 352502169 /nfs/dbraw/zinc/50/21/69/352502169.db2.gz XFVXFQVDBNPRTH-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN Cc1nc(C(=O)c2cncs2)co1 575518418 352502182 /nfs/dbraw/zinc/50/21/82/352502182.db2.gz VGZMQFGCXLOEMA-UHFFFAOYSA-N 0 0 194.215 1.671 10 0 ADAERN O=C(c1cn[nH]c1)c1cncs1 575518438 352502220 /nfs/dbraw/zinc/50/22/20/352502220.db2.gz WJOGIUADVWHPKO-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN Cn1ncc(-c2cncs2)c1C=O 575518405 352502241 /nfs/dbraw/zinc/50/22/41/352502241.db2.gz VDTRZZBJGIQIQO-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN CCC1(Nc2ccnc(F)n2)CC1 575518391 352502327 /nfs/dbraw/zinc/50/23/27/352502327.db2.gz OBIYTVILEANTPH-UHFFFAOYSA-N 0 0 181.214 1.970 10 0 ADAERN N[C@H](c1cnsn1)c1cncs1 575518414 352502264 /nfs/dbraw/zinc/50/22/64/352502264.db2.gz OHUCZGWTGQHMPR-ZCFIWIBFSA-N 0 0 198.276 1.043 10 0 ADAERN O=C(c1cncs1)C1CSC1 575518487 352502382 /nfs/dbraw/zinc/50/23/82/352502382.db2.gz XGDXSQFJYBWTME-UHFFFAOYSA-N 0 0 185.273 1.689 10 0 ADAERN O=C(c1csnn1)c1cncs1 575518439 352502410 /nfs/dbraw/zinc/50/24/10/352502410.db2.gz WMSDLZPOYQRYHX-UHFFFAOYSA-N 0 0 197.244 1.226 10 0 ADAERN CC1(Nc2ccnc(F)n2)CC1 575518716 352502979 /nfs/dbraw/zinc/50/29/79/352502979.db2.gz RRJIEEQNHCBKFA-UHFFFAOYSA-N 0 0 167.187 1.580 10 0 ADAERN N[C@@H](c1csnn1)c1cncs1 575518663 352503092 /nfs/dbraw/zinc/50/30/92/352503092.db2.gz PFWMBGCXOYFVRA-LURJTMIESA-N 0 0 198.276 1.043 10 0 ADAERN CC(=O)N[C@@H]1CCCSCC1 575518733 352503159 /nfs/dbraw/zinc/50/31/59/352503159.db2.gz SESCHZXXEFQTMO-MRVPVSSYSA-N 0 0 173.281 1.408 10 0 ADAERN CC(=O)N[C@H]1CCCSCC1 575518734 352503311 /nfs/dbraw/zinc/50/33/11/352503311.db2.gz SESCHZXXEFQTMO-QMMMGPOBSA-N 0 0 173.281 1.408 10 0 ADAERN N[C@H](c1csnn1)c1cncs1 575518664 352503355 /nfs/dbraw/zinc/50/33/55/352503355.db2.gz PFWMBGCXOYFVRA-ZCFIWIBFSA-N 0 0 198.276 1.043 10 0 ADAERN O=C(c1ncc[nH]1)c1cncs1 575518533 352503433 /nfs/dbraw/zinc/50/34/33/352503433.db2.gz YNCOLZQWQQADPG-UHFFFAOYSA-N 0 0 179.204 1.097 10 0 ADAERN CC(C)(C)Nc1ccnc(F)n1 575518844 352503689 /nfs/dbraw/zinc/50/36/89/352503689.db2.gz WQNKBYAISQCVIC-UHFFFAOYSA-N 0 0 169.203 1.826 10 0 ADAERN N[C@@H](c1cncs1)c1cnns1 575518831 352503699 /nfs/dbraw/zinc/50/36/99/352503699.db2.gz WDIRFMNKOABDJA-LURJTMIESA-N 0 0 198.276 1.043 10 0 ADAERN CC[C@@H](C)Cc1nsc(N)n1 575518758 352503765 /nfs/dbraw/zinc/50/37/65/352503765.db2.gz TXSNEPXFGOJHQE-RXMQYKEDSA-N 0 0 171.269 1.539 10 0 ADAERN CC1(Nc2ccnc(F)n2)CCC1 575518857 352503792 /nfs/dbraw/zinc/50/37/92/352503792.db2.gz WWGUERJJUAFDMV-UHFFFAOYSA-N 0 0 181.214 1.970 10 0 ADAERN CC[C@@H](C)Nc1cn(C)nn1 575518854 352503907 /nfs/dbraw/zinc/50/39/07/352503907.db2.gz ADRYOSRPTAONTM-ZCFIWIBFSA-N 0 0 154.217 1.026 10 0 ADAERN Cc1ncsc1C(=O)C(C)(C)O 575518819 352503950 /nfs/dbraw/zinc/50/39/50/352503950.db2.gz VPIQIUNTPJSOHT-UHFFFAOYSA-N 0 0 185.248 1.405 10 0 ADAERN N[C@H](c1cncs1)c1cnns1 575518832 352504073 /nfs/dbraw/zinc/50/40/73/352504073.db2.gz WDIRFMNKOABDJA-ZCFIWIBFSA-N 0 0 198.276 1.043 10 0 ADAERN CC[C@H](C)Cc1nsc(N)n1 575518759 352504086 /nfs/dbraw/zinc/50/40/86/352504086.db2.gz TXSNEPXFGOJHQE-YFKPBYRVSA-N 0 0 171.269 1.539 10 0 ADAERN CC[C@H](C)Nc1cn(C)nn1 575518853 352504130 /nfs/dbraw/zinc/50/41/30/352504130.db2.gz ADRYOSRPTAONTM-LURJTMIESA-N 0 0 154.217 1.026 10 0 ADAERN CNC(=O)N[C@@H]1CCCSCC1 575518850 352504135 /nfs/dbraw/zinc/50/41/35/352504135.db2.gz WUADDEXBVKBTFJ-SSDOTTSWSA-N 0 0 188.296 1.201 10 0 ADAERN CNC(=O)N[C@H]1CCCSCC1 575518855 352504200 /nfs/dbraw/zinc/50/42/00/352504200.db2.gz WUADDEXBVKBTFJ-ZETCQYMHSA-N 0 0 188.296 1.201 10 0 ADAERN COC1(CC(N)=S)CCCC1 575518963 352504499 /nfs/dbraw/zinc/50/44/99/352504499.db2.gz XGZIPGQUDSEPPK-UHFFFAOYSA-N 0 0 173.281 1.622 10 0 ADAERN CSCC(=O)c1scnc1C 575518968 352504708 /nfs/dbraw/zinc/50/47/08/352504708.db2.gz XJRVJYHFMKNNDJ-UHFFFAOYSA-N 0 0 187.289 1.997 10 0 ADAERN COC(=O)N[C@@H]1CCCSCC1 575519003 352504821 /nfs/dbraw/zinc/50/48/21/352504821.db2.gz YDIYTAWOUDTPNR-SSDOTTSWSA-N 0 0 189.280 1.628 10 0 ADAERN COC(=O)N[C@H]1CCCSCC1 575519004 352504877 /nfs/dbraw/zinc/50/48/77/352504877.db2.gz YDIYTAWOUDTPNR-ZETCQYMHSA-N 0 0 189.280 1.628 10 0 ADAERN CC(C)[C@H](C)Nc1cn(C)nn1 575519240 352506065 /nfs/dbraw/zinc/50/60/65/352506065.db2.gz GOXAKDLXQGBSII-ZETCQYMHSA-N 0 0 168.244 1.272 10 0 ADAERN CC(C)[C@@H](C)Nc1cn(C)nn1 575519231 352506213 /nfs/dbraw/zinc/50/62/13/352506213.db2.gz GOXAKDLXQGBSII-SSDOTTSWSA-N 0 0 168.244 1.272 10 0 ADAERN CC(=C/C(=O)[O-])/C=C1\CC[N@@H+](C)C1 575519411 352506778 /nfs/dbraw/zinc/50/67/78/352506778.db2.gz SBRSREXEPBFGFV-POEMVANMSA-N 0 0 181.235 1.279 10 0 ADAERN CC(/C=C1/CC[N@@H+](C)C1)=C\C(=O)[O-] 575519410 352506940 /nfs/dbraw/zinc/50/69/40/352506940.db2.gz SBRSREXEPBFGFV-JXCGNHFNSA-N 0 0 181.235 1.279 10 0 ADAERN CC(=C\C(=O)[O-])/C=C1\CC[N@@H+](C)C1 575519412 352507052 /nfs/dbraw/zinc/50/70/52/352507052.db2.gz SBRSREXEPBFGFV-RFSWUZDDSA-N 0 0 181.235 1.279 10 0 ADAERN CCCCNc1cn(C)nn1 575519392 352507108 /nfs/dbraw/zinc/50/71/08/352507108.db2.gz JIMMDHXMTALOHJ-UHFFFAOYSA-N 0 0 154.217 1.027 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 575519447 352507636 /nfs/dbraw/zinc/50/76/36/352507636.db2.gz JHQVBJOBFGMUNU-YYYVYBELSA-N 0 0 179.263 1.867 10 0 ADAERN Cn1cc(NC2CCCCC2)nn1 575519522 352507869 /nfs/dbraw/zinc/50/78/69/352507869.db2.gz LJBQZSGNRCZABL-UHFFFAOYSA-N 0 0 180.255 1.560 10 0 ADAERN Cn1cc(NC2CCCC2)nn1 575519599 352508602 /nfs/dbraw/zinc/50/86/02/352508602.db2.gz NVLASEVKNVVKKP-UHFFFAOYSA-N 0 0 166.228 1.170 10 0 ADAERN O=C(c1ccsc1)[C@]12COC[C@H]1C2 575520010 352510144 /nfs/dbraw/zinc/51/01/44/352510144.db2.gz BZAZUDILALETFG-PSASIEDQSA-N 0 0 194.255 1.967 10 0 ADAERN CCC(=O)[C@]12COC[C@H]1C2 575519957 352510164 /nfs/dbraw/zinc/51/01/64/352510164.db2.gz ANRNOFMMXCOXBM-HTRCEHHLSA-N 0 0 140.182 1.002 10 0 ADAERN O=C(c1ccsc1)[C@@]12COC[C@@H]1C2 575520013 352510171 /nfs/dbraw/zinc/51/01/71/352510171.db2.gz BZAZUDILALETFG-WPRPVWTQSA-N 0 0 194.255 1.967 10 0 ADAERN c1csc(NC[C@@]23COC[C@@H]2C3)n1 575519950 352510191 /nfs/dbraw/zinc/51/01/91/352510191.db2.gz AJKZEFAMOZZHPJ-CBAPKCEASA-N 0 0 196.275 1.592 10 0 ADAERN CC(C)(C)Nc1ccncc1F 575520022 352510247 /nfs/dbraw/zinc/51/02/47/352510247.db2.gz CJIUPROHJRMIJG-UHFFFAOYSA-N 0 0 168.215 1.853 10 0 ADAERN C[C@@]1(Cn2cc(N)cn2)CC1(F)F 575519984 352510253 /nfs/dbraw/zinc/51/02/53/352510253.db2.gz BFFKDMQZHKUGPG-ZETCQYMHSA-N 0 0 187.193 1.511 10 0 ADAERN CCC(=O)[C@@]12COC[C@@H]1C2 575519960 352510283 /nfs/dbraw/zinc/51/02/83/352510283.db2.gz ANRNOFMMXCOXBM-XPUUQOCRSA-N 0 0 140.182 1.002 10 0 ADAERN C[C@]1(Cn2cc(N)cn2)CC1(F)F 575519983 352510302 /nfs/dbraw/zinc/51/03/02/352510302.db2.gz BFFKDMQZHKUGPG-SSDOTTSWSA-N 0 0 187.193 1.511 10 0 ADAERN O=C(c1ccns1)[C@]12COC[C@H]1C2 575520050 352510367 /nfs/dbraw/zinc/51/03/67/352510367.db2.gz DDDSZONXYHNINV-HZGVNTEJSA-N 0 0 195.243 1.362 10 0 ADAERN [NH3+][C@H](c1ccsc1)[C@@]12COC[C@@H]1C2 575519953 352510395 /nfs/dbraw/zinc/51/03/95/352510395.db2.gz ANQQJTXARGCCME-AEJSXWLSSA-N 0 0 195.287 1.784 10 0 ADAERN O=C(c1ccns1)[C@@]12COC[C@@H]1C2 575520053 352510457 /nfs/dbraw/zinc/51/04/57/352510457.db2.gz DDDSZONXYHNINV-RCOVLWMOSA-N 0 0 195.243 1.362 10 0 ADAERN CC(C)(C)C(=O)[C@]12COC[C@H]1C2 575520115 352510674 /nfs/dbraw/zinc/51/06/74/352510674.db2.gz FNZLOMQJGIIWCE-GMSGAONNSA-N 0 0 168.236 1.638 10 0 ADAERN CC(C)(C)C(=O)[C@@]12COC[C@@H]1C2 575520118 352510691 /nfs/dbraw/zinc/51/06/91/352510691.db2.gz FNZLOMQJGIIWCE-XVKPBYJWSA-N 0 0 168.236 1.638 10 0 ADAERN O=C1CC2(CCC(F)(F)CC2)N1 575520098 352510702 /nfs/dbraw/zinc/51/07/02/352510702.db2.gz FANMMBIVMQDYMB-UHFFFAOYSA-N 0 0 175.178 1.454 10 0 ADAERN O=C(C1CCC1)[C@@]12COC[C@@H]1C2 575520166 352510722 /nfs/dbraw/zinc/51/07/22/352510722.db2.gz GVNQYVNMHNGVKO-WPRPVWTQSA-N 0 0 166.220 1.392 10 0 ADAERN Fc1cnccc1NCC(F)F 575520150 352510765 /nfs/dbraw/zinc/51/07/65/352510765.db2.gz GLPOLLGJSIQYKC-UHFFFAOYSA-N 0 0 176.141 1.320 10 0 ADAERN Fc1cnccc1NCC(F)(F)F 575520106 352510781 /nfs/dbraw/zinc/51/07/81/352510781.db2.gz FKLMGDMZGAYDBF-UHFFFAOYSA-N 0 0 194.131 1.617 10 0 ADAERN CC1(Nc2ccncc2F)CC1 575520144 352510813 /nfs/dbraw/zinc/51/08/13/352510813.db2.gz GHOQJFDFGUQJGR-UHFFFAOYSA-N 0 0 166.199 1.607 10 0 ADAERN O=C(C1CCC1)[C@]12COC[C@H]1C2 575520163 352510820 /nfs/dbraw/zinc/51/08/20/352510820.db2.gz GVNQYVNMHNGVKO-PSASIEDQSA-N 0 0 166.220 1.392 10 0 ADAERN O=C(c1ccoc1)[C@@]12COC[C@@H]1C2 575520248 352511271 /nfs/dbraw/zinc/51/12/71/352511271.db2.gz JDPYUZSLFFDEMM-WPRPVWTQSA-N 0 0 178.187 1.499 10 0 ADAERN O=C(c1ccoc1)[C@]12COC[C@H]1C2 575520245 352511287 /nfs/dbraw/zinc/51/12/87/352511287.db2.gz JDPYUZSLFFDEMM-PSASIEDQSA-N 0 0 178.187 1.499 10 0 ADAERN O=C(c1ccc[nH]1)[C@@]12COC[C@@H]1C2 575520209 352511351 /nfs/dbraw/zinc/51/13/51/352511351.db2.gz HSAOKVDTWYVWRI-XVKPBYJWSA-N 0 0 177.203 1.234 10 0 ADAERN O=C(c1ccc[nH]1)[C@]12COC[C@H]1C2 575520206 352511390 /nfs/dbraw/zinc/51/13/90/352511390.db2.gz HSAOKVDTWYVWRI-GMSGAONNSA-N 0 0 177.203 1.234 10 0 ADAERN O=C(c1ccsn1)[C@@]12COC[C@@H]1C2 575520387 352511839 /nfs/dbraw/zinc/51/18/39/352511839.db2.gz MOQMBMHNMPCNSY-RCOVLWMOSA-N 0 0 195.243 1.362 10 0 ADAERN O=C(C1CCCC1)[C@@]12COC[C@@H]1C2 575520339 352511949 /nfs/dbraw/zinc/51/19/49/352511949.db2.gz KYQQHVMELBHUMB-ONGXEEELSA-N 0 0 180.247 1.782 10 0 ADAERN O=C(C1CCCC1)[C@]12COC[C@H]1C2 575520338 352511999 /nfs/dbraw/zinc/51/19/99/352511999.db2.gz KYQQHVMELBHUMB-MWLCHTKSSA-N 0 0 180.247 1.782 10 0 ADAERN O=C(c1ccsn1)[C@]12COC[C@H]1C2 575520384 352512009 /nfs/dbraw/zinc/51/20/09/352512009.db2.gz MOQMBMHNMPCNSY-HZGVNTEJSA-N 0 0 195.243 1.362 10 0 ADAERN C/C=C/CNc1ccncc1F 575520335 352512015 /nfs/dbraw/zinc/51/20/15/352512015.db2.gz KXMZGGSVZXJKLD-NSCUHMNNSA-N 0 0 166.199 1.631 10 0 ADAERN FCCNc1ccncc1F 575520415 352512059 /nfs/dbraw/zinc/51/20/59/352512059.db2.gz NWNJWHHSLILZNC-UHFFFAOYSA-N 0 0 158.151 1.024 10 0 ADAERN CCC1(Nc2ccncc2F)CC1 575520496 352512284 /nfs/dbraw/zinc/51/22/84/352512284.db2.gz PPNHHSDBWNFCSB-UHFFFAOYSA-N 0 0 180.226 1.997 10 0 ADAERN O=C(c1cscn1)[C@]12COC[C@H]1C2 575520492 352512358 /nfs/dbraw/zinc/51/23/58/352512358.db2.gz PPBTZSWVGPROPO-HZGVNTEJSA-N 0 0 195.243 1.362 10 0 ADAERN O=C(c1cscn1)[C@@]12COC[C@@H]1C2 575520495 352512544 /nfs/dbraw/zinc/51/25/44/352512544.db2.gz PPBTZSWVGPROPO-RCOVLWMOSA-N 0 0 195.243 1.362 10 0 ADAERN O=C([C@@H]1CCCS1)[C@]12COC[C@H]1C2 575520471 352512597 /nfs/dbraw/zinc/51/25/97/352512597.db2.gz PKMAHYWKCNPEQE-KHQFGBGNSA-N 0 0 198.287 1.488 10 0 ADAERN O=C([C@@H]1CCCS1)[C@@]12COC[C@@H]1C2 575520472 352512645 /nfs/dbraw/zinc/51/26/45/352512645.db2.gz PKMAHYWKCNPEQE-NRPADANISA-N 0 0 198.287 1.488 10 0 ADAERN CC1(Nc2ccncc2F)CCC1 575520676 352513033 /nfs/dbraw/zinc/51/30/33/352513033.db2.gz RJCUQGOWASYLMP-UHFFFAOYSA-N 0 0 180.226 1.997 10 0 ADAERN O=C(c1ccco1)[C@@]12COC[C@@H]1C2 575520778 352513411 /nfs/dbraw/zinc/51/34/11/352513411.db2.gz SRUHDLAMALNESC-XVKPBYJWSA-N 0 0 178.187 1.499 10 0 ADAERN Fc1cnccc1NC1CC1 575520682 352513430 /nfs/dbraw/zinc/51/34/30/352513430.db2.gz ROLOQZDYJCQZNS-UHFFFAOYSA-N 0 0 152.172 1.217 10 0 ADAERN O=C(C1CC1)[C@@]12COC[C@@H]1C2 575520719 352513493 /nfs/dbraw/zinc/51/34/93/352513493.db2.gz SFPNXVWGDKFVQY-CBAPKCEASA-N 0 0 152.193 1.002 10 0 ADAERN O=C(c1ccco1)[C@]12COC[C@H]1C2 575520773 352513542 /nfs/dbraw/zinc/51/35/42/352513542.db2.gz SRUHDLAMALNESC-GMSGAONNSA-N 0 0 178.187 1.499 10 0 ADAERN O=C(C1CC1)[C@]12COC[C@H]1C2 575520721 352513589 /nfs/dbraw/zinc/51/35/89/352513589.db2.gz SFPNXVWGDKFVQY-VXNVDRBHSA-N 0 0 152.193 1.002 10 0 ADAERN C[C@H](Nc1ccncc1F)C(F)F 575520765 352513617 /nfs/dbraw/zinc/51/36/17/352513617.db2.gz SPURGKVYVYVRIU-YFKPBYRVSA-N 0 0 190.168 1.708 10 0 ADAERN O=C(c1cccs1)[C@]12COC[C@H]1C2 575520756 352513705 /nfs/dbraw/zinc/51/37/05/352513705.db2.gz SOYLTDWSSWIXLC-GMSGAONNSA-N 0 0 194.255 1.967 10 0 ADAERN O=C(c1cccs1)[C@@]12COC[C@@H]1C2 575520761 352513730 /nfs/dbraw/zinc/51/37/30/352513730.db2.gz SOYLTDWSSWIXLC-XVKPBYJWSA-N 0 0 194.255 1.967 10 0 ADAERN C[C@@H](Nc1ccncc1F)C(F)F 575520762 352513748 /nfs/dbraw/zinc/51/37/48/352513748.db2.gz SPURGKVYVYVRIU-RXMQYKEDSA-N 0 0 190.168 1.708 10 0 ADAERN O=C(c1cncs1)[C@]12COC[C@H]1C2 575520889 352513950 /nfs/dbraw/zinc/51/39/50/352513950.db2.gz URFKUUDWKRCEQX-HZGVNTEJSA-N 0 0 195.243 1.362 10 0 ADAERN C[NH2+]C1(C(=O)[O-])CCC(F)(F)CC1 575520866 352513957 /nfs/dbraw/zinc/51/39/57/352513957.db2.gz TWVSEELBUVCLLH-UHFFFAOYSA-N 0 0 193.193 1.239 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ccncc1F 575520940 352514085 /nfs/dbraw/zinc/51/40/85/352514085.db2.gz VJAGHLSZWUMMHU-VXNVDRBHSA-N 0 0 180.226 1.853 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ccncc1F 575520934 352514112 /nfs/dbraw/zinc/51/41/12/352514112.db2.gz VJAGHLSZWUMMHU-APPZFPTMSA-N 0 0 180.226 1.853 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ccncc1F 575520939 352514180 /nfs/dbraw/zinc/51/41/80/352514180.db2.gz VJAGHLSZWUMMHU-IONNQARKSA-N 0 0 180.226 1.853 10 0 ADAERN O=C(c1cncs1)[C@@]12COC[C@@H]1C2 575520892 352514344 /nfs/dbraw/zinc/51/43/44/352514344.db2.gz URFKUUDWKRCEQX-RCOVLWMOSA-N 0 0 195.243 1.362 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ccncc1F 575520936 352514389 /nfs/dbraw/zinc/51/43/89/352514389.db2.gz VJAGHLSZWUMMHU-CBAPKCEASA-N 0 0 180.226 1.853 10 0 ADAERN CCCC(=O)[C@@]12COC[C@@H]1C2 575521048 352514696 /nfs/dbraw/zinc/51/46/96/352514696.db2.gz WHVPOQZHZPPLBK-CBAPKCEASA-N 0 0 154.209 1.392 10 0 ADAERN CC1CC(Nc2ccncc2F)C1 575520955 352514768 /nfs/dbraw/zinc/51/47/68/352514768.db2.gz VPKYMHLYFASFJN-UHFFFAOYSA-N 0 0 180.226 1.853 10 0 ADAERN CCCC(=O)[C@]12COC[C@H]1C2 575521050 352514841 /nfs/dbraw/zinc/51/48/41/352514841.db2.gz WHVPOQZHZPPLBK-VXNVDRBHSA-N 0 0 154.209 1.392 10 0 ADAERN O=C(c1cc[nH]c1)[C@@]12COC[C@@H]1C2 575521175 352515248 /nfs/dbraw/zinc/51/52/48/352515248.db2.gz YAFIKZAHNGYTPS-WPRPVWTQSA-N 0 0 177.203 1.234 10 0 ADAERN O=C(c1cc[nH]c1)[C@]12COC[C@H]1C2 575521167 352515293 /nfs/dbraw/zinc/51/52/93/352515293.db2.gz YAFIKZAHNGYTPS-PSASIEDQSA-N 0 0 177.203 1.234 10 0 ADAERN O=C(c1cnsc1)[C@@]12COC[C@@H]1C2 575521234 352515921 /nfs/dbraw/zinc/51/59/21/352515921.db2.gz YTWSWAQZDDRTJD-CBAPKCEASA-N 0 0 195.243 1.362 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ccncc1F 575521238 352515961 /nfs/dbraw/zinc/51/59/61/352515961.db2.gz YXRJPKJHJXJFJS-HZGVNTEJSA-N 0 0 166.199 1.463 10 0 ADAERN C[C@H]1C[C@@H]1Nc1ccncc1F 575521241 352516052 /nfs/dbraw/zinc/51/60/52/352516052.db2.gz YXRJPKJHJXJFJS-RCOVLWMOSA-N 0 0 166.199 1.463 10 0 ADAERN O=C(c1cnsc1)[C@]12COC[C@H]1C2 575521236 352516104 /nfs/dbraw/zinc/51/61/04/352516104.db2.gz YTWSWAQZDDRTJD-VXNVDRBHSA-N 0 0 195.243 1.362 10 0 ADAERN C[C@H]1C[C@H]1Nc1ccncc1F 575521239 352516107 /nfs/dbraw/zinc/51/61/07/352516107.db2.gz YXRJPKJHJXJFJS-IMTBSYHQSA-N 0 0 166.199 1.463 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ccncc1F 575521240 352516123 /nfs/dbraw/zinc/51/61/23/352516123.db2.gz YXRJPKJHJXJFJS-MUWHJKNJSA-N 0 0 166.199 1.463 10 0 ADAERN CC(C)C(=O)[C@@]12COC[C@@H]1C2 575521287 352516129 /nfs/dbraw/zinc/51/61/29/352516129.db2.gz ZHGOQGFSYHIXNP-CBAPKCEASA-N 0 0 154.209 1.248 10 0 ADAERN CC(C)C(=O)[C@]12COC[C@H]1C2 575521292 352516172 /nfs/dbraw/zinc/51/61/72/352516172.db2.gz ZHGOQGFSYHIXNP-VXNVDRBHSA-N 0 0 154.209 1.248 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1ccncc1F 575521389 352516474 /nfs/dbraw/zinc/51/64/74/352516474.db2.gz ZZXTVGYNGYFTBG-XCBNKYQSSA-N 0 0 180.226 1.853 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1ccncc1F 575521387 352516542 /nfs/dbraw/zinc/51/65/42/352516542.db2.gz ZZXTVGYNGYFTBG-GMSGAONNSA-N 0 0 180.226 1.853 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ccncc1F 575521388 352516573 /nfs/dbraw/zinc/51/65/73/352516573.db2.gz ZZXTVGYNGYFTBG-OIBJUYFYSA-N 0 0 180.226 1.853 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1ccncc1F 575521390 352516718 /nfs/dbraw/zinc/51/67/18/352516718.db2.gz ZZXTVGYNGYFTBG-XVKPBYJWSA-N 0 0 180.226 1.853 10 0 ADAERN Cn1ncc(NCC2CC2)c1Cl 575521494 352517255 /nfs/dbraw/zinc/51/72/55/352517255.db2.gz XKIBRSWQZLLENF-UHFFFAOYSA-N 0 0 185.658 1.895 10 0 ADAERN Cn1ncc(NC2CC2)c1Cl 575521441 352517367 /nfs/dbraw/zinc/51/73/67/352517367.db2.gz VWFFYWUQAMPXQX-UHFFFAOYSA-N 0 0 171.631 1.648 10 0 ADAERN CC(C)Nc1cnn(C)c1Cl 575521545 352517372 /nfs/dbraw/zinc/51/73/72/352517372.db2.gz YRUJKALQUSFXET-UHFFFAOYSA-N 0 0 173.647 1.894 10 0 ADAERN CCNc1cnn(C)c1Cl 575521473 352517388 /nfs/dbraw/zinc/51/73/88/352517388.db2.gz WNXOMDAWDJRBPM-UHFFFAOYSA-N 0 0 159.620 1.505 10 0 ADAERN CCCNc1cnn(C)c1Cl 575521487 352517413 /nfs/dbraw/zinc/51/74/13/352517413.db2.gz XCGLZAVOAXMUNR-UHFFFAOYSA-N 0 0 173.647 1.895 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H](N(C)C(N)=O)C1 575521637 352517915 /nfs/dbraw/zinc/51/79/15/352517915.db2.gz CSSZRQHCNPCUJS-BRPSZJMVSA-N 0 0 184.283 1.822 10 0 ADAERN C[C@H]1CC(N(C)C(N)=O)C[C@H](C)C1 575521638 352517941 /nfs/dbraw/zinc/51/79/41/352517941.db2.gz CSSZRQHCNPCUJS-HTQZYQBOSA-N 0 0 184.283 1.822 10 0 ADAERN CC1CN(c2ncc([C@H](C)[NH3+])s2)C1 575521632 352517951 /nfs/dbraw/zinc/51/79/51/352517951.db2.gz BZBOZGDTGRHGNH-ZETCQYMHSA-N 0 0 197.307 1.619 10 0 ADAERN CC1CN(c2ncc([C@@H](C)[NH3+])s2)C1 575521631 352517966 /nfs/dbraw/zinc/51/79/66/352517966.db2.gz BZBOZGDTGRHGNH-SSDOTTSWSA-N 0 0 197.307 1.619 10 0 ADAERN NC1(c2ncno2)CC2(CCC2)C1 575521663 352518126 /nfs/dbraw/zinc/51/81/26/352518126.db2.gz DSEOOXVACKOUJC-UHFFFAOYSA-N 0 0 179.223 1.188 10 0 ADAERN Cc1c(N)nsc1N1CC(C)C1 575521657 352518160 /nfs/dbraw/zinc/51/81/60/352518160.db2.gz DBWOGCQBVWREEV-UHFFFAOYSA-N 0 0 183.280 1.490 10 0 ADAERN COc1c(N)nsc1N1CC(C)C1 575521797 352518485 /nfs/dbraw/zinc/51/84/85/352518485.db2.gz KOGIZSYFLRGDAF-UHFFFAOYSA-N 0 0 199.279 1.190 10 0 ADAERN Cn1cncc1C(=O)[C@H]1CC1(C)C 575521779 352518510 /nfs/dbraw/zinc/51/85/10/352518510.db2.gz JZYXDLMIQZGHCQ-SSDOTTSWSA-N 0 0 178.235 1.649 10 0 ADAERN CC1CN(c2cncc(N)c2)C1 575521698 352518562 /nfs/dbraw/zinc/51/85/62/352518562.db2.gz GRFSIBJRIKLTHV-UHFFFAOYSA-N 0 0 163.224 1.120 10 0 ADAERN Cn1cncc1C(=O)C1(C)CC1 575521756 352518576 /nfs/dbraw/zinc/51/85/76/352518576.db2.gz JGYFQNXRPOJNDD-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN Cn1ncc(NCCF)c1Cl 575521782 352518581 /nfs/dbraw/zinc/51/85/81/352518581.db2.gz KBEHUMSTJQXXBL-UHFFFAOYSA-N 0 0 177.610 1.455 10 0 ADAERN Cn1ncc(NCC(F)F)c1Cl 575521707 352518587 /nfs/dbraw/zinc/51/85/87/352518587.db2.gz GWKYDYGQPQVEEM-UHFFFAOYSA-N 0 0 195.600 1.751 10 0 ADAERN Cn1cncc1C(=O)[C@@H]1CC1(C)C 575521780 352518685 /nfs/dbraw/zinc/51/86/85/352518685.db2.gz JZYXDLMIQZGHCQ-ZETCQYMHSA-N 0 0 178.235 1.649 10 0 ADAERN CC1CN(c2cc(N)ns2)C1 575521754 352518806 /nfs/dbraw/zinc/51/88/06/352518806.db2.gz JCMVMKHFOADAIW-UHFFFAOYSA-N 0 0 169.253 1.181 10 0 ADAERN CNc1cnn(C)c1Cl 575521761 352518816 /nfs/dbraw/zinc/51/88/16/352518816.db2.gz JITXRRGPLOKQGT-UHFFFAOYSA-N 0 0 145.593 1.115 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1CCCC2(CC2)C1 575521891 352519334 /nfs/dbraw/zinc/51/93/34/352519334.db2.gz QTCNPBRTEAXSJU-FARCUNLSSA-N 0 0 181.235 1.461 10 0 ADAERN CCC1CN(c2cncc(N)c2)C1 575521957 352519850 /nfs/dbraw/zinc/51/98/50/352519850.db2.gz USGQEWZTKLHSSJ-UHFFFAOYSA-N 0 0 177.251 1.510 10 0 ADAERN NC(=S)N[C@H]1CCCC(F)(F)C1 575521932 352519854 /nfs/dbraw/zinc/51/98/54/352519854.db2.gz SQDLBAROPWQRIG-YFKPBYRVSA-N 0 0 194.250 1.398 10 0 ADAERN CNc1cncc(N2CC(C)C2)c1 575521971 352519958 /nfs/dbraw/zinc/51/99/58/352519958.db2.gz VQYLTXUNFXBXBB-UHFFFAOYSA-N 0 0 177.251 1.579 10 0 ADAERN NC(=S)N[C@@H]1CCCC(F)(F)C1 575521931 352520013 /nfs/dbraw/zinc/52/00/13/352520013.db2.gz SQDLBAROPWQRIG-RXMQYKEDSA-N 0 0 194.250 1.398 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)c1cncn1C 575522172 352521182 /nfs/dbraw/zinc/52/11/82/352521182.db2.gz ZABBMWZFJUSJHH-RQJHMYQMSA-N 0 0 164.208 1.259 10 0 ADAERN C[C@@H](O)c1cccc2c1OCCN2 575522358 352521401 /nfs/dbraw/zinc/52/14/01/352521401.db2.gz AZLLESBEGZHXFG-SSDOTTSWSA-N 0 0 179.219 1.544 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)c1cncn1C 575522169 352521405 /nfs/dbraw/zinc/52/14/05/352521405.db2.gz ZABBMWZFJUSJHH-BQBZGAKWSA-N 0 0 164.208 1.259 10 0 ADAERN Nc1scnc1[C@H]1CCCCO1 575522383 352521920 /nfs/dbraw/zinc/52/19/20/352521920.db2.gz CDLPGDWCBFLZCK-ZCFIWIBFSA-N 0 0 184.264 1.967 10 0 ADAERN N#CNC[C@H]1C[C@@H]2C[C@@H]2C1 575522579 352521949 /nfs/dbraw/zinc/52/19/49/352521949.db2.gz GHGJLXSRXRJUBK-RNLVFQAGSA-N 0 0 136.198 1.103 10 0 ADAERN Nc1scnc1[C@@H]1CCCCO1 575522382 352521991 /nfs/dbraw/zinc/52/19/91/352521991.db2.gz CDLPGDWCBFLZCK-LURJTMIESA-N 0 0 184.264 1.967 10 0 ADAERN CCCNC(=O)N1CC(C)C1 575522394 352522021 /nfs/dbraw/zinc/52/20/21/352522021.db2.gz CKINWXXDAITYIV-UHFFFAOYSA-N 0 0 156.229 1.058 10 0 ADAERN C[C@H](O)c1cccc2c1OCCN2 575522359 352522088 /nfs/dbraw/zinc/52/20/88/352522088.db2.gz AZLLESBEGZHXFG-ZETCQYMHSA-N 0 0 179.219 1.544 10 0 ADAERN N#CNCCC1SCCS1 575522611 352522403 /nfs/dbraw/zinc/52/24/03/352522403.db2.gz GZWKPTLPZVQMFS-UHFFFAOYSA-N 0 0 174.294 1.253 10 0 ADAERN Nc1ccc([C@H](O)C2CCC2)nc1 575522699 352522428 /nfs/dbraw/zinc/52/24/28/352522428.db2.gz CHHPYEARGBPXGJ-SNVBAGLBSA-N 0 0 178.235 1.497 10 0 ADAERN CC1CN(C(=S)NC(C)C)C1 575522599 352522541 /nfs/dbraw/zinc/52/25/41/352522541.db2.gz GVPGJFOMYRFZPH-UHFFFAOYSA-N 0 0 172.297 1.221 10 0 ADAERN Nc1ccc([C@@H](O)C2CCC2)nc1 575522698 352522612 /nfs/dbraw/zinc/52/26/12/352522612.db2.gz CHHPYEARGBPXGJ-JTQLQIEISA-N 0 0 178.235 1.497 10 0 ADAERN CC1CN(C(=O)NC(C)(C)C)C1 575522619 352522710 /nfs/dbraw/zinc/52/27/10/352522710.db2.gz HGABOPSVEXUHQJ-UHFFFAOYSA-N 0 0 170.256 1.446 10 0 ADAERN CNC(=S)NC[C@]1(C)CC1(F)F 575522732 352523240 /nfs/dbraw/zinc/52/32/40/352523240.db2.gz DBFDMSVHXIWPIP-LURJTMIESA-N 0 0 194.250 1.126 10 0 ADAERN C[C@H]1CCC[C@@H](N(C)C(N)=O)CC1 575522777 352523249 /nfs/dbraw/zinc/52/32/49/352523249.db2.gz QAKWUUATHHZTFN-DTWKUNHWSA-N 0 0 184.283 1.966 10 0 ADAERN N#CNC[C@@H]1C[C@@H]1C1CC1 575522799 352523251 /nfs/dbraw/zinc/52/32/51/352523251.db2.gz YDGCLKXVQFYPHX-JGVFFNPUSA-N 0 0 136.198 1.103 10 0 ADAERN Cn1cc(NCC2=CCSC2)cn1 575522786 352523256 /nfs/dbraw/zinc/52/32/56/352523256.db2.gz QREBFVLQSDWJHY-UHFFFAOYSA-N 0 0 195.291 1.505 10 0 ADAERN N#CNC[C@H]1C[C@H]1C1CC1 575522800 352523274 /nfs/dbraw/zinc/52/32/74/352523274.db2.gz YDGCLKXVQFYPHX-SFYZADRCSA-N 0 0 136.198 1.103 10 0 ADAERN C[C@@H]1CCC[C@H](N(C)C(N)=O)CC1 575522776 352523298 /nfs/dbraw/zinc/52/32/98/352523298.db2.gz QAKWUUATHHZTFN-BDAKNGLRSA-N 0 0 184.283 1.966 10 0 ADAERN C[C@@H]1CCC[C@@H](N(C)C(N)=O)CC1 575522779 352523317 /nfs/dbraw/zinc/52/33/17/352523317.db2.gz QAKWUUATHHZTFN-RKDXNWHRSA-N 0 0 184.283 1.966 10 0 ADAERN C[C@H]1CCC[C@H](N(C)C(N)=O)CC1 575522778 352523430 /nfs/dbraw/zinc/52/34/30/352523430.db2.gz QAKWUUATHHZTFN-IUCAKERBSA-N 0 0 184.283 1.966 10 0 ADAERN CNC(=S)NC[C@@]1(C)CC1(F)F 575522734 352523478 /nfs/dbraw/zinc/52/34/78/352523478.db2.gz DBFDMSVHXIWPIP-ZCFIWIBFSA-N 0 0 194.250 1.126 10 0 ADAERN Cn1ncc(N)c1-c1ccoc1 575523042 352523927 /nfs/dbraw/zinc/52/39/27/352523927.db2.gz DVBTZPWLVWKVGT-UHFFFAOYSA-N 0 0 163.180 1.262 10 0 ADAERN CCNC(=S)N1CC(CC)C1 575522873 352523951 /nfs/dbraw/zinc/52/39/51/352523951.db2.gz KJLPDVIGXFWEGJ-UHFFFAOYSA-N 0 0 172.297 1.223 10 0 ADAERN C[C@@]1(CC(N)=S)CC1(F)F 575523050 352524015 /nfs/dbraw/zinc/52/40/15/352524015.db2.gz DWDPDSDGFQCXGZ-RXMQYKEDSA-N 0 0 165.208 1.708 10 0 ADAERN C[C@]1(CC(N)=S)CC1(F)F 575523051 352524070 /nfs/dbraw/zinc/52/40/70/352524070.db2.gz DWDPDSDGFQCXGZ-YFKPBYRVSA-N 0 0 165.208 1.708 10 0 ADAERN Cn1ncc(N)c1C1=CCCCC1 575523029 352524101 /nfs/dbraw/zinc/52/41/01/352524101.db2.gz DMBVSWHOUIQHHM-UHFFFAOYSA-N 0 0 177.251 1.960 10 0 ADAERN C=CC(=O)N[C@@H]1COC2(CCC2)C1 575523316 352525543 /nfs/dbraw/zinc/52/55/43/352525543.db2.gz JRSFZWQDDJVYKF-QMMMGPOBSA-N 0 0 181.235 1.000 10 0 ADAERN CNC(=S)N(C)[C@H]1CCC1(C)C 575523167 352524672 /nfs/dbraw/zinc/52/46/72/352524672.db2.gz NGYPISKVFHKRTL-ZETCQYMHSA-N 0 0 186.324 1.611 10 0 ADAERN CC(=O)NC[C@@]1(C)CC1(F)F 575523111 352524734 /nfs/dbraw/zinc/52/47/34/352524734.db2.gz GTPGQGZGAGAFIQ-ZCFIWIBFSA-N 0 0 163.167 1.168 10 0 ADAERN CO[C@]1(C)C[C@H]1Nc1cc(N)ns1 575523213 352524755 /nfs/dbraw/zinc/52/47/55/352524755.db2.gz PGESEIQTASLEIK-SVGQVSJJSA-N 0 0 199.279 1.315 10 0 ADAERN CC1CN(C(=S)NC2CCCC2)C1 575523164 352524840 /nfs/dbraw/zinc/52/48/40/352524840.db2.gz NDYSSWNBOLOCKI-UHFFFAOYSA-N 0 0 198.335 1.755 10 0 ADAERN CC(=O)NC[C@]1(C)CC1(F)F 575523110 352524885 /nfs/dbraw/zinc/52/48/85/352524885.db2.gz GTPGQGZGAGAFIQ-LURJTMIESA-N 0 0 163.167 1.168 10 0 ADAERN CO[C@@]1(C)C[C@H]1Nc1cc(N)ns1 575523215 352525023 /nfs/dbraw/zinc/52/50/23/352525023.db2.gz PGESEIQTASLEIK-XRGYYRRGSA-N 0 0 199.279 1.315 10 0 ADAERN CO[C@@]1(C)C[C@@H]1Nc1cc(N)ns1 575523214 352525029 /nfs/dbraw/zinc/52/50/29/352525029.db2.gz PGESEIQTASLEIK-XNCJUZBTSA-N 0 0 199.279 1.315 10 0 ADAERN CO[C@]1(C)C[C@@H]1Nc1cc(N)ns1 575523217 352525048 /nfs/dbraw/zinc/52/50/48/352525048.db2.gz PGESEIQTASLEIK-YLWLKBPMSA-N 0 0 199.279 1.315 10 0 ADAERN CNC(=S)N(C)[C@@H]1CCC1(C)C 575523166 352525077 /nfs/dbraw/zinc/52/50/77/352525077.db2.gz NGYPISKVFHKRTL-SSDOTTSWSA-N 0 0 186.324 1.611 10 0 ADAERN C=CC(=O)N[C@H]1COC2(CCC2)C1 575523315 352525696 /nfs/dbraw/zinc/52/56/96/352525696.db2.gz JRSFZWQDDJVYKF-MRVPVSSYSA-N 0 0 181.235 1.000 10 0 ADAERN Cc1ncc(-c2c(N)cnn2C)s1 575523273 352525768 /nfs/dbraw/zinc/52/57/68/352525768.db2.gz IIAQTMHUMUQYEB-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cn1ncc(N)c1-c1ccns1 575523411 352526360 /nfs/dbraw/zinc/52/63/60/352526360.db2.gz KKNBMEOKHBJJIL-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN CCCNC(=S)N1CC(C)C1 575523643 352526875 /nfs/dbraw/zinc/52/68/75/352526875.db2.gz UODJIYRHQDPDCP-UHFFFAOYSA-N 0 0 172.297 1.223 10 0 ADAERN CC1CN(C(=O)NC2CCC2)C1 575523722 352526886 /nfs/dbraw/zinc/52/68/86/352526886.db2.gz WLBATVJPBJXKFB-UHFFFAOYSA-N 0 0 168.240 1.200 10 0 ADAERN CCCCc1c(N)cnn1C 575523778 352527279 /nfs/dbraw/zinc/52/72/79/352527279.db2.gz OBEBFNBWGYJGSS-UHFFFAOYSA-N 0 0 153.229 1.345 10 0 ADAERN Cn1ncc(N)c1-c1ccsc1 575523793 352527679 /nfs/dbraw/zinc/52/76/79/352527679.db2.gz OKGRYIAZTAYRKQ-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Cn1ncc(N)c1-c1cncs1 575524062 352527990 /nfs/dbraw/zinc/52/79/90/352527990.db2.gz QNBWHDZHMJHICK-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN C[C@@]1(CNC#N)CC1(F)F 575524046 352528019 /nfs/dbraw/zinc/52/80/19/352528019.db2.gz QFBUPWDCAAMAIM-YFKPBYRVSA-N 0 0 146.140 1.102 10 0 ADAERN CN(C(N)=S)[C@@H]1CCC1(C)C 575523955 352528189 /nfs/dbraw/zinc/52/81/89/352528189.db2.gz ZZWSXRUNNJNQAD-ZCFIWIBFSA-N 0 0 172.297 1.350 10 0 ADAERN CN(C(N)=S)[C@H]1CCC1(C)C 575523953 352528216 /nfs/dbraw/zinc/52/82/16/352528216.db2.gz ZZWSXRUNNJNQAD-LURJTMIESA-N 0 0 172.297 1.350 10 0 ADAERN COC(=O)N[C@H]1COC2(CCC2)C1 575524031 352528345 /nfs/dbraw/zinc/52/83/45/352528345.db2.gz PWESEIDRDZRJRQ-SSDOTTSWSA-N 0 0 185.223 1.054 10 0 ADAERN COC(=O)N[C@@H]1COC2(CCC2)C1 575524032 352528397 /nfs/dbraw/zinc/52/83/97/352528397.db2.gz PWESEIDRDZRJRQ-ZETCQYMHSA-N 0 0 185.223 1.054 10 0 ADAERN Cc1cocc1-c1c(N)cnn1C 575524003 352528404 /nfs/dbraw/zinc/52/84/04/352528404.db2.gz PBCYRSBGDKXSTF-UHFFFAOYSA-N 0 0 177.207 1.571 10 0 ADAERN C[C@]1(CNC#N)CC1(F)F 575524045 352528407 /nfs/dbraw/zinc/52/84/07/352528407.db2.gz QFBUPWDCAAMAIM-RXMQYKEDSA-N 0 0 146.140 1.102 10 0 ADAERN CCNC(=O)N1C[C@H]2CC[C@@H]2C1 575524182 352528629 /nfs/dbraw/zinc/52/86/29/352528629.db2.gz BHQXBJDHBFKCHT-HTQZYQBOSA-N 0 0 168.240 1.058 10 0 ADAERN CCNC(=O)N1C[C@@H]2CC[C@H]2C1 575524184 352528857 /nfs/dbraw/zinc/52/88/57/352528857.db2.gz BHQXBJDHBFKCHT-YUMQZZPRSA-N 0 0 168.240 1.058 10 0 ADAERN CC(C)NC(=S)N1C[C@@H]2CC[C@H]2C1 575524211 352528884 /nfs/dbraw/zinc/52/88/84/352528884.db2.gz BLABPNUWUGJNCP-IUCAKERBSA-N 0 0 198.335 1.611 10 0 ADAERN CC(C)NC(=S)N1C[C@H]2CC[C@@H]2C1 575524213 352529196 /nfs/dbraw/zinc/52/91/96/352529196.db2.gz BLABPNUWUGJNCP-RKDXNWHRSA-N 0 0 198.335 1.611 10 0 ADAERN CC(C)NC(=S)N1C[C@H]2CC[C@H]2C1 575524209 352529304 /nfs/dbraw/zinc/52/93/04/352529304.db2.gz BLABPNUWUGJNCP-DTORHVGOSA-N 0 0 198.335 1.611 10 0 ADAERN CCNC(=O)N1C[C@H]2CC[C@H]2C1 575524183 352529324 /nfs/dbraw/zinc/52/93/24/352529324.db2.gz BHQXBJDHBFKCHT-OCAPTIKFSA-N 0 0 168.240 1.058 10 0 ADAERN C[C@@]1(Cc2cccs2)CNC(=O)C1 575524432 352530372 /nfs/dbraw/zinc/53/03/72/352530372.db2.gz KIVHEADSXDRWSJ-JTQLQIEISA-N 0 0 195.287 1.817 10 0 ADAERN C[C@H]1CN(CCF)C[C@H](C)C1=O 575524543 352530375 /nfs/dbraw/zinc/53/03/75/352530375.db2.gz DCWFIRXNHGNOJW-YUMQZZPRSA-N 0 0 173.231 1.113 10 0 ADAERN C[C@]1(Cc2cccs2)CNC(=O)C1 575524438 352530401 /nfs/dbraw/zinc/53/04/01/352530401.db2.gz KIVHEADSXDRWSJ-SNVBAGLBSA-N 0 0 195.287 1.817 10 0 ADAERN C[C@@H]1CN(CCF)C[C@@H](C)C1=O 575524541 352530515 /nfs/dbraw/zinc/53/05/15/352530515.db2.gz DCWFIRXNHGNOJW-HTQZYQBOSA-N 0 0 173.231 1.113 10 0 ADAERN CC(F)(F)C(C)(C)CNC=O 575524522 352530548 /nfs/dbraw/zinc/53/05/48/352530548.db2.gz CWPOSKLAGNEWDK-UHFFFAOYSA-N 0 0 165.183 1.414 10 0 ADAERN CC(C)n1ccnc1[C@@H]1CC(=O)N1 575524487 352530612 /nfs/dbraw/zinc/53/06/12/352530612.db2.gz CHJKERSOHYOAJR-ZETCQYMHSA-N 0 0 179.223 1.025 10 0 ADAERN CC(C)n1ccnc1[C@H]1CC(=O)N1 575524486 352530638 /nfs/dbraw/zinc/53/06/38/352530638.db2.gz CHJKERSOHYOAJR-SSDOTTSWSA-N 0 0 179.223 1.025 10 0 ADAERN Cc1cc(C)cc(CNC#N)c1 575524651 352531093 /nfs/dbraw/zinc/53/10/93/352531093.db2.gz OGBFJZQGJYNHTD-UHFFFAOYSA-N 0 0 160.220 1.874 10 0 ADAERN C[C@@]1(C[C@H]2CCNC2=O)CC1(F)F 575524900 352531731 /nfs/dbraw/zinc/53/17/31/352531731.db2.gz WJOWIEBHLFHCSA-HTRCEHHLSA-N 0 0 189.205 1.558 10 0 ADAERN C[C@]1(C[C@@H]2CCNC2=O)CC1(F)F 575524907 352531799 /nfs/dbraw/zinc/53/17/99/352531799.db2.gz WJOWIEBHLFHCSA-XPUUQOCRSA-N 0 0 189.205 1.558 10 0 ADAERN CC(C)NC(=O)N1C[C@H]2CC[C@H]2C1 575524877 352532002 /nfs/dbraw/zinc/53/20/02/352532002.db2.gz GQVHLBOSEZCPMR-DTORHVGOSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@@]1(C[C@@H]2CCNC2=O)CC1(F)F 575524902 352532089 /nfs/dbraw/zinc/53/20/89/352532089.db2.gz WJOWIEBHLFHCSA-POYBYMJQSA-N 0 0 189.205 1.558 10 0 ADAERN CC(C)NC(=O)N1C[C@H]2CC[C@@H]2C1 575524880 352532174 /nfs/dbraw/zinc/53/21/74/352532174.db2.gz GQVHLBOSEZCPMR-RKDXNWHRSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@]1(C[C@H]2CCNC2=O)CC1(F)F 575524904 352532217 /nfs/dbraw/zinc/53/22/17/352532217.db2.gz WJOWIEBHLFHCSA-SVRRBLITSA-N 0 0 189.205 1.558 10 0 ADAERN CC(C)NC(=O)N1C[C@@H]2CC[C@H]2C1 575524878 352532232 /nfs/dbraw/zinc/53/22/32/352532232.db2.gz GQVHLBOSEZCPMR-IUCAKERBSA-N 0 0 182.267 1.446 10 0 ADAERN Nc1ccnn1C[C@H]1CCCCO1 575525022 352532549 /nfs/dbraw/zinc/53/25/49/352532549.db2.gz XIDCSKIWGVQELN-MRVPVSSYSA-N 0 0 181.239 1.034 10 0 ADAERN CCNC(=S)N1C[C@H]2CC[C@@H]2C1 575524978 352532680 /nfs/dbraw/zinc/53/26/80/352532680.db2.gz HDTMUAQIRHFDMN-HTQZYQBOSA-N 0 0 184.308 1.223 10 0 ADAERN Nc1ccnn1C[C@@H]1CCCCO1 575525023 352532842 /nfs/dbraw/zinc/53/28/42/352532842.db2.gz XIDCSKIWGVQELN-QMMMGPOBSA-N 0 0 181.239 1.034 10 0 ADAERN CCNC(=S)N1C[C@H]2CC[C@H]2C1 575524979 352532871 /nfs/dbraw/zinc/53/28/71/352532871.db2.gz HDTMUAQIRHFDMN-OCAPTIKFSA-N 0 0 184.308 1.223 10 0 ADAERN O=C1CCC[C@H]1Cc1cnccn1 575525080 352532941 /nfs/dbraw/zinc/53/29/41/352532941.db2.gz ZYSYNYGUUNRWGA-QMMMGPOBSA-N 0 0 176.219 1.388 10 0 ADAERN CCNC(=S)N1C[C@@H]2CC[C@H]2C1 575524987 352533074 /nfs/dbraw/zinc/53/30/74/352533074.db2.gz HDTMUAQIRHFDMN-YUMQZZPRSA-N 0 0 184.308 1.223 10 0 ADAERN C[C@@H](NC(N)=S)c1cscn1 575525163 352533583 /nfs/dbraw/zinc/53/35/83/352533583.db2.gz BJEZPHVUMJWFLJ-SCSAIBSYSA-N 0 0 187.293 1.037 10 0 ADAERN Cc1ccc(C)n1[C@@H]1CCNC1=O 575525152 352533593 /nfs/dbraw/zinc/53/35/93/352533593.db2.gz BIWFEVLMXGPVMV-SECBINFHSA-N 0 0 178.235 1.166 10 0 ADAERN Cc1ccc(C)n1[C@H]1CCNC1=O 575525153 352533626 /nfs/dbraw/zinc/53/36/26/352533626.db2.gz BIWFEVLMXGPVMV-VIFPVBQESA-N 0 0 178.235 1.166 10 0 ADAERN C[C@H](NC(N)=S)c1cscn1 575525158 352533676 /nfs/dbraw/zinc/53/36/76/352533676.db2.gz BJEZPHVUMJWFLJ-BYPYZUCNSA-N 0 0 187.293 1.037 10 0 ADAERN NC(=S)NC1CC2(CCC2)C1 575525147 352533686 /nfs/dbraw/zinc/53/36/86/352533686.db2.gz BEBVTJFXWUKFAT-UHFFFAOYSA-N 0 0 170.281 1.152 10 0 ADAERN C=CC(=O)NC1CC2(CCC2)C1 575525148 352533697 /nfs/dbraw/zinc/53/36/97/352533697.db2.gz BEFURKYFWVNMJH-UHFFFAOYSA-N 0 0 165.236 1.621 10 0 ADAERN CC1(C)OCC[C@@H]1C(=O)C1CC1 575525328 352534287 /nfs/dbraw/zinc/53/42/87/352534287.db2.gz ZQAYOBYBFLGIIF-MRVPVSSYSA-N 0 0 168.236 1.781 10 0 ADAERN N[C@H](c1nccs1)[C@H]1CCCCO1 575525342 352534250 /nfs/dbraw/zinc/53/42/50/352534250.db2.gz ZXYRVSNDMSYZGY-SFYZADRCSA-N 0 0 198.291 1.712 10 0 ADAERN N[C@@H](c1nccs1)[C@H]1CCCCO1 575525337 352534266 /nfs/dbraw/zinc/53/42/66/352534266.db2.gz ZXYRVSNDMSYZGY-HTQZYQBOSA-N 0 0 198.291 1.712 10 0 ADAERN CCC(=O)N[C@H]1COC2(CCC2)C1 575525303 352534283 /nfs/dbraw/zinc/53/42/83/352534283.db2.gz ZAORZQBRHYKJTA-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN CCC(=O)N[C@@H]1COC2(CCC2)C1 575525305 352534293 /nfs/dbraw/zinc/53/42/93/352534293.db2.gz ZAORZQBRHYKJTA-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN Nc1cnc(N2C[C@@H]3CC[C@H]3C2)s1 575525365 352534301 /nfs/dbraw/zinc/53/43/01/352534301.db2.gz JBBCLLQRJUFGKW-BQBZGAKWSA-N 0 0 195.291 1.572 10 0 ADAERN Nc1cnc(N2C[C@H]3CC[C@@H]3C2)s1 575525367 352534326 /nfs/dbraw/zinc/53/43/26/352534326.db2.gz JBBCLLQRJUFGKW-RNFRBKRXSA-N 0 0 195.291 1.572 10 0 ADAERN Nc1cnc(N2C[C@H]3CC[C@H]3C2)s1 575525366 352534329 /nfs/dbraw/zinc/53/43/29/352534329.db2.gz JBBCLLQRJUFGKW-KNVOCYPGSA-N 0 0 195.291 1.572 10 0 ADAERN CC1(C)OCC[C@H]1C(=O)C1CC1 575525330 352534361 /nfs/dbraw/zinc/53/43/61/352534361.db2.gz ZQAYOBYBFLGIIF-QMMMGPOBSA-N 0 0 168.236 1.781 10 0 ADAERN O=CNCc1ccc(Cl)o1 575525409 352534508 /nfs/dbraw/zinc/53/45/08/352534508.db2.gz DCRIFPKTVSLMDK-UHFFFAOYSA-N 0 0 159.572 1.179 10 0 ADAERN N[C@@H](c1nccs1)[C@@H]1CCCCO1 575525339 352534534 /nfs/dbraw/zinc/53/45/34/352534534.db2.gz ZXYRVSNDMSYZGY-JGVFFNPUSA-N 0 0 198.291 1.712 10 0 ADAERN N[C@H](c1nccs1)[C@@H]1CCCCO1 575525344 352534835 /nfs/dbraw/zinc/53/48/35/352534835.db2.gz ZXYRVSNDMSYZGY-YUMQZZPRSA-N 0 0 198.291 1.712 10 0 ADAERN C[C@H](CNC#N)C(F)(F)F 575525491 352535224 /nfs/dbraw/zinc/53/52/24/352535224.db2.gz HDDMCIDCXYBZOC-SCSAIBSYSA-N 0 0 152.119 1.255 10 0 ADAERN C[C@H](c1cscn1)N1CCC(=O)C1 575525453 352535261 /nfs/dbraw/zinc/53/52/61/352535261.db2.gz FUBYZILMKQEMJQ-SSDOTTSWSA-N 0 0 196.275 1.479 10 0 ADAERN CC(=O)N[C@@H](C)c1cscn1 575525422 352535351 /nfs/dbraw/zinc/53/53/51/352535351.db2.gz DPYXXUNRHKQVMK-YFKPBYRVSA-N 0 0 170.237 1.340 10 0 ADAERN C[C@@H](c1cscn1)N1CCC(=O)C1 575525454 352535423 /nfs/dbraw/zinc/53/54/23/352535423.db2.gz FUBYZILMKQEMJQ-ZETCQYMHSA-N 0 0 196.275 1.479 10 0 ADAERN O=CNC1CC2(CCC2)C1 575525489 352535443 /nfs/dbraw/zinc/53/54/43/352535443.db2.gz GXWWDBVCQCBYIF-UHFFFAOYSA-N 0 0 139.198 1.065 10 0 ADAERN O=C1NCCCN1C1(C2CC2)CC1 575525456 352535455 /nfs/dbraw/zinc/53/54/55/352535455.db2.gz FWKAXDLTATUMMD-UHFFFAOYSA-N 0 0 180.251 1.344 10 0 ADAERN CC(=O)N[C@H](C)c1cscn1 575525421 352535493 /nfs/dbraw/zinc/53/54/93/352535493.db2.gz DPYXXUNRHKQVMK-RXMQYKEDSA-N 0 0 170.237 1.340 10 0 ADAERN Cn1cc[nH+]c1NC1(C2CC2)CC1 575525440 352535499 /nfs/dbraw/zinc/53/54/99/352535499.db2.gz FJEWLHQETPTGFG-UHFFFAOYSA-N 0 0 177.251 1.775 10 0 ADAERN C[C@@H](CNC#N)C(F)(F)F 575525490 352535559 /nfs/dbraw/zinc/53/55/59/352535559.db2.gz HDDMCIDCXYBZOC-BYPYZUCNSA-N 0 0 152.119 1.255 10 0 ADAERN C[C@H](CNC(N)=S)C(F)(F)F 575525626 352536179 /nfs/dbraw/zinc/53/61/79/352536179.db2.gz HTSRGUSUDRBNBS-GSVOUGTGSA-N 0 0 186.202 1.018 10 0 ADAERN C[C@@H](CNC(N)=S)C(F)(F)F 575525628 352536010 /nfs/dbraw/zinc/53/60/10/352536010.db2.gz HTSRGUSUDRBNBS-VKHMYHEASA-N 0 0 186.202 1.018 10 0 ADAERN O=C(NC1CC1)[C@]12CCCC[C@H]1C2 575525658 352536076 /nfs/dbraw/zinc/53/60/76/352536076.db2.gz IMCRDTIKTHMUBS-KWQFWETISA-N 0 0 179.263 1.845 10 0 ADAERN CCC(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 575525737 352536126 /nfs/dbraw/zinc/53/61/26/352536126.db2.gz MPAYJTMCVSESTN-HTQZYQBOSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)n1ccnc1[C@@H]1NCCS1 575525563 352536139 /nfs/dbraw/zinc/53/61/39/352536139.db2.gz LFNHUSIBBGWWSS-SECBINFHSA-N 0 0 197.307 1.799 10 0 ADAERN O=C1NCCN1C1CC2(CCC2)C1 575525700 352536164 /nfs/dbraw/zinc/53/61/64/352536164.db2.gz JKDNOUXYUAFDPA-UHFFFAOYSA-N 0 0 180.251 1.344 10 0 ADAERN c1cnc(NC2(C3CC3)CC2)nc1 575525630 352536201 /nfs/dbraw/zinc/53/62/01/352536201.db2.gz HVXKBCTYHIZXOK-UHFFFAOYSA-N 0 0 175.235 1.831 10 0 ADAERN CC(C)n1ccnc1[C@H]1NCCS1 575525564 352536419 /nfs/dbraw/zinc/53/64/19/352536419.db2.gz LFNHUSIBBGWWSS-VIFPVBQESA-N 0 0 197.307 1.799 10 0 ADAERN O=C(NC1CC1)[C@@]12CCCC[C@@H]1C2 575525661 352536481 /nfs/dbraw/zinc/53/64/81/352536481.db2.gz IMCRDTIKTHMUBS-LDYMZIIASA-N 0 0 179.263 1.845 10 0 ADAERN CCC(=O)N1C[C@H](C)C(=O)[C@@H](C)C1 575525739 352536894 /nfs/dbraw/zinc/53/68/94/352536894.db2.gz MPAYJTMCVSESTN-YUMQZZPRSA-N 0 0 183.251 1.080 10 0 ADAERN CCC(=O)N1C[C@H](C)C(=O)[C@H](C)C1 575525738 352536899 /nfs/dbraw/zinc/53/68/99/352536899.db2.gz MPAYJTMCVSESTN-OCAPTIKFSA-N 0 0 183.251 1.080 10 0 ADAERN O=C1CCN(C2(C3CCC3)CC2)C1 575525789 352536924 /nfs/dbraw/zinc/53/69/24/352536924.db2.gz KRLFJCMUEVWRMZ-UHFFFAOYSA-N 0 0 179.263 1.594 10 0 ADAERN NC(=S)NC1(C2CCC2)CC1 575525988 352537706 /nfs/dbraw/zinc/53/77/06/352537706.db2.gz NNMWBEQGKMVVMZ-UHFFFAOYSA-N 0 0 170.281 1.152 10 0 ADAERN C/C=C/CN1C[C@@H](C)C(=O)[C@H](C)C1 575526051 352537730 /nfs/dbraw/zinc/53/77/30/352537730.db2.gz PKUKMMQCWCPQNL-NUNSBDKSSA-N 0 0 181.279 1.719 10 0 ADAERN CNC(=O)[C@@]12CCCC[C@@H]1C2 575525952 352537846 /nfs/dbraw/zinc/53/78/46/352537846.db2.gz MFTCBQITGBSLPK-VXNVDRBHSA-N 0 0 153.225 1.313 10 0 ADAERN N#CNCC1(C(F)F)CC1 575525910 352537873 /nfs/dbraw/zinc/53/78/73/352537873.db2.gz LHEUIGPBBIWBIP-UHFFFAOYSA-N 0 0 146.140 1.102 10 0 ADAERN C/C=C/CN1C[C@H](C)C(=O)[C@@H](C)C1 575526050 352537912 /nfs/dbraw/zinc/53/79/12/352537912.db2.gz PKUKMMQCWCPQNL-AWAZDUCLSA-N 0 0 181.279 1.719 10 0 ADAERN CNC(=O)[C@]12CCCC[C@H]1C2 575525950 352538180 /nfs/dbraw/zinc/53/81/80/352538180.db2.gz MFTCBQITGBSLPK-CBAPKCEASA-N 0 0 153.225 1.313 10 0 ADAERN CCNC(=O)[C@]12CCCC[C@H]1C2 575526163 352538363 /nfs/dbraw/zinc/53/83/63/352538363.db2.gz PSKJQVSAWIKORX-WPRPVWTQSA-N 0 0 167.252 1.703 10 0 ADAERN O=C1CCN(C2(C3CC3)CC2)C1 575526226 352538577 /nfs/dbraw/zinc/53/85/77/352538577.db2.gz RGWLGSBMBSAYTI-UHFFFAOYSA-N 0 0 165.236 1.204 10 0 ADAERN CCNC(=O)[C@@]12CCCC[C@@H]1C2 575526160 352538662 /nfs/dbraw/zinc/53/86/62/352538662.db2.gz PSKJQVSAWIKORX-PSASIEDQSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@H]1CN(CC(F)F)C[C@H](C)C1=O 575526105 352538696 /nfs/dbraw/zinc/53/86/96/352538696.db2.gz QNEWPTIUYUKRKW-BQBZGAKWSA-N 0 0 191.221 1.408 10 0 ADAERN C[C@H]1CN(CC(F)F)C[C@@H](C)C1=O 575526122 352538781 /nfs/dbraw/zinc/53/87/81/352538781.db2.gz QNEWPTIUYUKRKW-KNVOCYPGSA-N 0 0 191.221 1.408 10 0 ADAERN O=C1NCCN1C1(C2CCC2)CC1 575526129 352538803 /nfs/dbraw/zinc/53/88/03/352538803.db2.gz PCEQSDNVSQCTDN-UHFFFAOYSA-N 0 0 180.251 1.344 10 0 ADAERN N#CNC1CC2(CCC2)C1 575526174 352538893 /nfs/dbraw/zinc/53/88/93/352538893.db2.gz PUESMAOJOMIETM-UHFFFAOYSA-N 0 0 136.198 1.390 10 0 ADAERN C/C=C/CN1C[C@H](C)C(=O)[C@H](C)C1 575526052 352538934 /nfs/dbraw/zinc/53/89/34/352538934.db2.gz PKUKMMQCWCPQNL-XYBNDFSHSA-N 0 0 181.279 1.719 10 0 ADAERN S=C(NC1CC1)N1C[C@H]2CC[C@@H]2C1 575526331 352539250 /nfs/dbraw/zinc/53/92/50/352539250.db2.gz TUFXDGFNYFSYOG-HTQZYQBOSA-N 0 0 196.319 1.365 10 0 ADAERN Cn1nncc1NC1(C2CC2)CC1 575526468 352539372 /nfs/dbraw/zinc/53/93/72/352539372.db2.gz SMUCCPASUOHCTH-UHFFFAOYSA-N 0 0 178.239 1.170 10 0 ADAERN S=C(NC1CC1)N1C[C@H]2CC[C@H]2C1 575526334 352539386 /nfs/dbraw/zinc/53/93/86/352539386.db2.gz TUFXDGFNYFSYOG-OCAPTIKFSA-N 0 0 196.319 1.365 10 0 ADAERN NC(=S)CC[C@H]1CCCCO1 575526383 352539389 /nfs/dbraw/zinc/53/93/89/352539389.db2.gz UGJDSGDANVKONO-SSDOTTSWSA-N 0 0 173.281 1.622 10 0 ADAERN c1cc(NC2(C3CC3)CC2)ncn1 575526455 352539440 /nfs/dbraw/zinc/53/94/40/352539440.db2.gz SEOFXHWQHFHGGZ-UHFFFAOYSA-N 0 0 175.235 1.831 10 0 ADAERN S=C(NC1CC1)N1C[C@@H]2CC[C@H]2C1 575526336 352539469 /nfs/dbraw/zinc/53/94/69/352539469.db2.gz TUFXDGFNYFSYOG-YUMQZZPRSA-N 0 0 196.319 1.365 10 0 ADAERN Cc1ccc(-c2ccc[nH]2)c(N)n1 575526297 352539502 /nfs/dbraw/zinc/53/95/02/352539502.db2.gz SFSGKXRLCSAMHQ-UHFFFAOYSA-N 0 0 173.219 1.967 10 0 ADAERN NC(=S)CC[C@@H]1CCCCO1 575526384 352539523 /nfs/dbraw/zinc/53/95/23/352539523.db2.gz UGJDSGDANVKONO-ZETCQYMHSA-N 0 0 173.281 1.622 10 0 ADAERN N#CNC1(C2CCC2)CC1 575526453 352539617 /nfs/dbraw/zinc/53/96/17/352539617.db2.gz SDUGGEZQUXPMGC-UHFFFAOYSA-N 0 0 136.198 1.390 10 0 ADAERN Nc1cc(N2C[C@H]3CC[C@H]3C2)sn1 575526546 352540138 /nfs/dbraw/zinc/54/01/38/352540138.db2.gz VGEWPWOTDIQDHM-KNVOCYPGSA-N 0 0 195.291 1.572 10 0 ADAERN CC(=O)[C@H]1CCc2ncccc2C1 575526558 352540152 /nfs/dbraw/zinc/54/01/52/352540152.db2.gz VQIOJOOZGMVGBI-VIFPVBQESA-N 0 0 175.231 1.776 10 0 ADAERN Nc1cc(N2C[C@@H]3CC[C@H]3C2)sn1 575526545 352540174 /nfs/dbraw/zinc/54/01/74/352540174.db2.gz VGEWPWOTDIQDHM-BQBZGAKWSA-N 0 0 195.291 1.572 10 0 ADAERN Nc1cc(N2C[C@H]3CC[C@@H]3C2)sn1 575526547 352540273 /nfs/dbraw/zinc/54/02/73/352540273.db2.gz VGEWPWOTDIQDHM-RNFRBKRXSA-N 0 0 195.291 1.572 10 0 ADAERN C[C@@H](c1cscn1)N1CCNC1=O 575526495 352540276 /nfs/dbraw/zinc/54/02/76/352540276.db2.gz UAVCUQGBRYCSTJ-LURJTMIESA-N 0 0 197.263 1.229 10 0 ADAERN CC(=O)[C@@H]1CCc2ncccc2C1 575526557 352540319 /nfs/dbraw/zinc/54/03/19/352540319.db2.gz VQIOJOOZGMVGBI-SECBINFHSA-N 0 0 175.231 1.776 10 0 ADAERN O=CNC1(C2CCC2)CC1 575526567 352540326 /nfs/dbraw/zinc/54/03/26/352540326.db2.gz VXUCEBKPOITIBW-UHFFFAOYSA-N 0 0 139.198 1.065 10 0 ADAERN C[C@H](c1cscn1)N1CCNC1=O 575526496 352540400 /nfs/dbraw/zinc/54/04/00/352540400.db2.gz UAVCUQGBRYCSTJ-ZCFIWIBFSA-N 0 0 197.263 1.229 10 0 ADAERN CCC[N@@H+]1C[C@H](C)C(=O)[C@H](C)C1 575526614 352540426 /nfs/dbraw/zinc/54/04/26/352540426.db2.gz WRMYXDZZPZVOQC-DTORHVGOSA-N 0 0 169.268 1.553 10 0 ADAERN O=C(NC1CC1)N1C[C@@H]2CC[C@H]2C1 575526775 352541024 /nfs/dbraw/zinc/54/10/24/352541024.db2.gz YPKKICNYCUIONP-YUMQZZPRSA-N 0 0 180.251 1.200 10 0 ADAERN O=C(NC1CC1)N1C[C@H]2CC[C@@H]2C1 575526772 352541153 /nfs/dbraw/zinc/54/11/53/352541153.db2.gz YPKKICNYCUIONP-HTQZYQBOSA-N 0 0 180.251 1.200 10 0 ADAERN O=C(NC1CC1)N1C[C@H]2CC[C@H]2C1 575526774 352541200 /nfs/dbraw/zinc/54/12/00/352541200.db2.gz YPKKICNYCUIONP-OCAPTIKFSA-N 0 0 180.251 1.200 10 0 ADAERN O=C1C[C@@]2(CCC23CCCC3)N1 575527035 352541490 /nfs/dbraw/zinc/54/14/90/352541490.db2.gz BGUKDQMZXNFPHK-SNVBAGLBSA-N 0 0 165.236 1.599 10 0 ADAERN NC(=O)[C@@]12CCCC[C@@H]1C2 575526833 352541534 /nfs/dbraw/zinc/54/15/34/352541534.db2.gz YRNUNGUXBJIJEF-HTRCEHHLSA-N 0 0 139.198 1.052 10 0 ADAERN O=C1C[C@]2(CCC23CCCC3)N1 575527034 352541688 /nfs/dbraw/zinc/54/16/88/352541688.db2.gz BGUKDQMZXNFPHK-JTQLQIEISA-N 0 0 165.236 1.599 10 0 ADAERN O=C1N[C@]2(CCC23CCCC3)CO1 575527005 352541887 /nfs/dbraw/zinc/54/18/87/352541887.db2.gz AECFVNFBPVKHHH-SNVBAGLBSA-N 0 0 181.235 1.819 10 0 ADAERN O=C1N[C@@]2(CCC23CCCC3)CO1 575527004 352541936 /nfs/dbraw/zinc/54/19/36/352541936.db2.gz AECFVNFBPVKHHH-JTQLQIEISA-N 0 0 181.235 1.819 10 0 ADAERN NC(=O)[C@]12CCCC[C@H]1C2 575526844 352541939 /nfs/dbraw/zinc/54/19/39/352541939.db2.gz YRNUNGUXBJIJEF-XPUUQOCRSA-N 0 0 139.198 1.052 10 0 ADAERN COC(=O)[C@]1(N)CCC12CCCC2 575527207 352542295 /nfs/dbraw/zinc/54/22/95/352542295.db2.gz DUMGTRDSULGWBS-SNVBAGLBSA-N 0 0 183.251 1.211 10 0 ADAERN COC(=O)[C@@]1(N)CCC12CCCC2 575527206 352542417 /nfs/dbraw/zinc/54/24/17/352542417.db2.gz DUMGTRDSULGWBS-JTQLQIEISA-N 0 0 183.251 1.211 10 0 ADAERN O=C1C[C@@]2(CCC23CCCC3)CN1 575527279 352542769 /nfs/dbraw/zinc/54/27/69/352542769.db2.gz GSIUOCSKGTYYJZ-NSHDSACASA-N 0 0 179.263 1.847 10 0 ADAERN O=C1C[C@]2(CCC23CCCC3)CN1 575527277 352542863 /nfs/dbraw/zinc/54/28/63/352542863.db2.gz GSIUOCSKGTYYJZ-LLVKDONJSA-N 0 0 179.263 1.847 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCC12CCCC2 575527446 352543414 /nfs/dbraw/zinc/54/34/14/352543414.db2.gz HTJMKJXMVCFHPT-SNVBAGLBSA-N 0 0 183.251 1.383 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC12CCCC2 575527444 352543465 /nfs/dbraw/zinc/54/34/65/352543465.db2.gz HTJMKJXMVCFHPT-JTQLQIEISA-N 0 0 183.251 1.383 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCC12CCCCC2 575527574 352543872 /nfs/dbraw/zinc/54/38/72/352543872.db2.gz JPZDNAHAPCVXSG-JTQLQIEISA-N 0 0 183.251 1.513 10 0 ADAERN O=C1NC[C@@]2(CCC23CCCC3)O1 575527551 352543921 /nfs/dbraw/zinc/54/39/21/352543921.db2.gz JHCTZCXJAKOPND-SNVBAGLBSA-N 0 0 181.235 1.819 10 0 ADAERN O=C1NC[C@]2(CCC23CCCC3)O1 575527549 352543968 /nfs/dbraw/zinc/54/39/68/352543968.db2.gz JHCTZCXJAKOPND-JTQLQIEISA-N 0 0 181.235 1.819 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCC12CCCCC2 575527577 352544031 /nfs/dbraw/zinc/54/40/31/352544031.db2.gz JPZDNAHAPCVXSG-SNVBAGLBSA-N 0 0 183.251 1.513 10 0 ADAERN CC1CN(c2ccc(C=O)o2)C1 575528125 352546406 /nfs/dbraw/zinc/54/64/06/352546406.db2.gz GIUNKMSNCPMJBN-UHFFFAOYSA-N 0 0 165.192 1.548 10 0 ADAERN CC(=O)NC[C@H]1C[C@@H]2C[C@@H]2C1 575528279 352546934 /nfs/dbraw/zinc/54/69/34/352546934.db2.gz IYNDJFXNYAZNIS-AYMMMOKOSA-N 0 0 153.225 1.169 10 0 ADAERN Cc1nnc(C[C@H]2CCCC2=O)s1 575528271 352546987 /nfs/dbraw/zinc/54/69/87/352546987.db2.gz IXXIRGLLKPJUHP-SSDOTTSWSA-N 0 0 196.275 1.758 10 0 ADAERN O=C1C[C@@]2(CCC23CCCCC3)N1 575528311 352546992 /nfs/dbraw/zinc/54/69/92/352546992.db2.gz QNNZRXQGMMUMEG-LLVKDONJSA-N 0 0 179.263 1.989 10 0 ADAERN Cc1nnc(C[C@@H]2CCCC2=O)s1 575528272 352547126 /nfs/dbraw/zinc/54/71/26/352547126.db2.gz IXXIRGLLKPJUHP-ZETCQYMHSA-N 0 0 196.275 1.758 10 0 ADAERN O=C1C[C@]2(CCC23CCCCC3)N1 575528312 352547144 /nfs/dbraw/zinc/54/71/44/352547144.db2.gz QNNZRXQGMMUMEG-NSHDSACASA-N 0 0 179.263 1.989 10 0 ADAERN C[C@](O)(c1cccnc1N)C(F)F 575528464 352547770 /nfs/dbraw/zinc/54/77/70/352547770.db2.gz SMIANAMQHMJJNF-QMMMGPOBSA-N 0 0 188.177 1.136 10 0 ADAERN NC1=N[C@]2(CCC23CCCC3)CO1 575528511 352547650 /nfs/dbraw/zinc/54/76/50/352547650.db2.gz JOGLHIJRZUUAJM-SNVBAGLBSA-N 0 0 180.251 1.634 10 0 ADAERN C[C@@](O)(c1cccnc1N)C(F)F 575528461 352547757 /nfs/dbraw/zinc/54/77/57/352547757.db2.gz SMIANAMQHMJJNF-MRVPVSSYSA-N 0 0 188.177 1.136 10 0 ADAERN NC1=N[C@@]2(CCC23CCCC3)CO1 575528509 352547790 /nfs/dbraw/zinc/54/77/90/352547790.db2.gz JOGLHIJRZUUAJM-JTQLQIEISA-N 0 0 180.251 1.634 10 0 ADAERN CC(=O)c1cnc(N2CC(C)C2)s1 575528648 352548229 /nfs/dbraw/zinc/54/82/29/352548229.db2.gz OTAHUOFXXLGBLA-UHFFFAOYSA-N 0 0 196.275 1.802 10 0 ADAERN CC1CN(c2ccccc2C=O)C1 575528545 352548279 /nfs/dbraw/zinc/54/82/79/352548279.db2.gz LASXAKMFUFTYOR-UHFFFAOYSA-N 0 0 175.231 1.955 10 0 ADAERN CC(=O)CCc1nnc(C)s1 575528526 352548315 /nfs/dbraw/zinc/54/83/15/352548315.db2.gz KFWTUAPFPBHQMG-UHFFFAOYSA-N 0 0 170.237 1.368 10 0 ADAERN [NH3+][C@@]1(C(=O)[O-])CCC12CCCC2 575528795 352549365 /nfs/dbraw/zinc/54/93/65/352549365.db2.gz VVMOUUSLWHKDPA-SECBINFHSA-N 0 0 169.224 1.123 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCC12CCCC2 575528796 352549395 /nfs/dbraw/zinc/54/93/95/352549395.db2.gz VVMOUUSLWHKDPA-VIFPVBQESA-N 0 0 169.224 1.123 10 0 ADAERN Cc1nc(N2CC(C)C2)sc1C=O 575528865 352549465 /nfs/dbraw/zinc/54/94/65/352549465.db2.gz REPCKBQATYSRMB-UHFFFAOYSA-N 0 0 196.275 1.720 10 0 ADAERN [NH3+][C@]1(CC(=O)[O-])CCC12CCCC2 575529046 352549843 /nfs/dbraw/zinc/54/98/43/352549843.db2.gz XOFYEIFYHWNAFR-JTQLQIEISA-N 0 0 183.251 1.513 10 0 ADAERN [NH3+][C@@]1(CC(=O)[O-])CCC12CCCC2 575529047 352549943 /nfs/dbraw/zinc/54/99/43/352549943.db2.gz XOFYEIFYHWNAFR-SNVBAGLBSA-N 0 0 183.251 1.513 10 0 ADAERN O=C1NCCN1C[C@H]1C[C@@H]2C[C@@H]2C1 575529185 352550779 /nfs/dbraw/zinc/55/07/79/352550779.db2.gz UCMOVARZVLCHKI-AYMMMOKOSA-N 0 0 180.251 1.058 10 0 ADAERN CC1CN(c2ncccc2C=O)C1 575529283 352551295 /nfs/dbraw/zinc/55/12/95/352551295.db2.gz VLGBNQDJYMXUQT-UHFFFAOYSA-N 0 0 176.219 1.350 10 0 ADAERN CC1CN(c2ccc(C=O)cn2)C1 575529478 352551638 /nfs/dbraw/zinc/55/16/38/352551638.db2.gz ZDOQNKLQBOEKCO-UHFFFAOYSA-N 0 0 176.219 1.350 10 0 ADAERN FC(F)C1(Nc2ncccn2)CC1 575529636 352552433 /nfs/dbraw/zinc/55/24/33/352552433.db2.gz AAGOGEPQMRDDAM-UHFFFAOYSA-N 0 0 185.177 1.686 10 0 ADAERN Cc1ccc([C@@H]2COCC2=O)cn1 575529746 352552752 /nfs/dbraw/zinc/55/27/52/352552752.db2.gz AFSQJSILZWZVME-VIFPVBQESA-N 0 0 177.203 1.073 10 0 ADAERN O=C1COC[C@@H]1Cc1ccsc1 575529791 352552789 /nfs/dbraw/zinc/55/27/89/352552789.db2.gz BHGNCNKLIBLSCD-QMMMGPOBSA-N 0 0 182.244 1.506 10 0 ADAERN Cc1ccc([C@H]2COCC2=O)cn1 575529745 352552910 /nfs/dbraw/zinc/55/29/10/352552910.db2.gz 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/nfs/dbraw/zinc/55/33/82/352553382.db2.gz CBJGPOPXMMAZFM-VIFPVBQESA-N 0 0 166.220 1.702 10 0 ADAERN CC(C)C1(c2cc(N)on2)CC1 575529831 352553408 /nfs/dbraw/zinc/55/34/08/352553408.db2.gz FCUUYASDAUBZNN-UHFFFAOYSA-N 0 0 166.224 1.944 10 0 ADAERN CCC[C@H](C)[C@H]1COCC1=O 575529829 352553410 /nfs/dbraw/zinc/55/34/10/352553410.db2.gz BWZWEUMEYSYRPU-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN O=C1COC[C@H]1CC1=CCCC1 575529839 352553416 /nfs/dbraw/zinc/55/34/16/352553416.db2.gz CBJGPOPXMMAZFM-SECBINFHSA-N 0 0 166.220 1.702 10 0 ADAERN Cn1nncc1NC1(C(F)F)CC1 575529935 352553886 /nfs/dbraw/zinc/55/38/86/352553886.db2.gz HIASATGFCBZFOA-UHFFFAOYSA-N 0 0 188.181 1.025 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)C1CC1 575534183 352574125 /nfs/dbraw/zinc/57/41/25/352574125.db2.gz VMVIJLJUTKDFEX-NKWVEPMBSA-N 0 0 140.182 1.000 10 0 ADAERN CN1CC[C@@H](C(=O)c2cncs2)C1 575530013 352554140 /nfs/dbraw/zinc/55/41/40/352554140.db2.gz DUQKPMOPORAVAP-SSDOTTSWSA-N 0 0 196.275 1.278 10 0 ADAERN CN1CC[C@H](C(=O)c2cncs2)C1 575530020 352554241 /nfs/dbraw/zinc/55/42/41/352554241.db2.gz DUQKPMOPORAVAP-ZETCQYMHSA-N 0 0 196.275 1.278 10 0 ADAERN CC(=O)[C@@H]1COC[C@@H]1C(C)C 575530153 352554422 /nfs/dbraw/zinc/55/44/22/352554422.db2.gz HBQUKKPYSJNMOK-BDAKNGLRSA-N 0 0 156.225 1.494 10 0 ADAERN Cc1nc([C@H]2COCC2=O)cs1 575530047 352554622 /nfs/dbraw/zinc/55/46/22/352554622.db2.gz FHILITXKKKSLMO-ZCFIWIBFSA-N 0 0 183.232 1.134 10 0 ADAERN Cc1ccc([C@@H]2COCC2=O)s1 575530051 352554664 /nfs/dbraw/zinc/55/46/64/352554664.db2.gz FJOCQZAYINTNBW-SSDOTTSWSA-N 0 0 182.244 1.739 10 0 ADAERN Cc1nc([C@@H]2COCC2=O)cs1 575530043 352554695 /nfs/dbraw/zinc/55/46/95/352554695.db2.gz FHILITXKKKSLMO-LURJTMIESA-N 0 0 183.232 1.134 10 0 ADAERN Cc1ccc([C@H]2COCC2=O)s1 575530055 352554734 /nfs/dbraw/zinc/55/47/34/352554734.db2.gz FJOCQZAYINTNBW-ZETCQYMHSA-N 0 0 182.244 1.739 10 0 ADAERN CCC(=O)N[C@]12CCCC[C@H]1C2 575530241 352555143 /nfs/dbraw/zinc/55/51/43/352555143.db2.gz CLPDGHKRZWBMJN-WPRPVWTQSA-N 0 0 167.252 1.845 10 0 ADAERN 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182.244 1.739 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)C(C)(C)C)C1 575530374 352555937 /nfs/dbraw/zinc/55/59/37/352555937.db2.gz IKPDALQXRUSYRV-QMMMGPOBSA-N 0 0 169.268 1.553 10 0 ADAERN Cc1sccc1[C@H]1COCC1=O 575530338 352555948 /nfs/dbraw/zinc/55/59/48/352555948.db2.gz IEOSFVZEAYEFET-MRVPVSSYSA-N 0 0 182.244 1.739 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)C(C)(C)C)C1 575530369 352555967 /nfs/dbraw/zinc/55/59/67/352555967.db2.gz IKPDALQXRUSYRV-MRVPVSSYSA-N 0 0 169.268 1.553 10 0 ADAERN C/C=C/C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 575530390 352556425 /nfs/dbraw/zinc/55/64/25/352556425.db2.gz GOFOYOIQORWZBT-TUPNXOPMSA-N 0 0 179.263 1.867 10 0 ADAERN CCC[C@@H]1COC[C@@H]1C(C)=O 575530482 352556444 /nfs/dbraw/zinc/55/64/44/352556444.db2.gz JGDGSYWZKQAQAP-RKDXNWHRSA-N 0 0 156.225 1.638 10 0 ADAERN Cc1cncc([C@H]2COCC2=O)c1 575530378 352556466 /nfs/dbraw/zinc/55/64/66/352556466.db2.gz IKQLRARUXQURMG-SECBINFHSA-N 0 0 177.203 1.073 10 0 ADAERN CCC[C@@H]1COC[C@H]1C(C)=O 575530475 352556480 /nfs/dbraw/zinc/55/64/80/352556480.db2.gz JGDGSYWZKQAQAP-BDAKNGLRSA-N 0 0 156.225 1.638 10 0 ADAERN CCC[C@H]1COC[C@H]1C(C)=O 575530480 352556541 /nfs/dbraw/zinc/55/65/41/352556541.db2.gz JGDGSYWZKQAQAP-IUCAKERBSA-N 0 0 156.225 1.638 10 0 ADAERN N#CN[C@]12CCCC[C@H]1C2 575530382 352556554 /nfs/dbraw/zinc/55/65/54/352556554.db2.gz JPVTYIXENYLGHQ-YUMQZZPRSA-N 0 0 136.198 1.390 10 0 ADAERN Cc1cncc([C@@H]2COCC2=O)c1 575530381 352556605 /nfs/dbraw/zinc/55/66/05/352556605.db2.gz IKQLRARUXQURMG-VIFPVBQESA-N 0 0 177.203 1.073 10 0 ADAERN CCC[C@H]1COC[C@@H]1C(C)=O 575530478 352556613 /nfs/dbraw/zinc/55/66/13/352556613.db2.gz JGDGSYWZKQAQAP-DTWKUNHWSA-N 0 0 156.225 1.638 10 0 ADAERN CCNC(=O)C1(C(F)F)CC1 575530484 352556618 /nfs/dbraw/zinc/55/66/18/352556618.db2.gz YVXSOCBIRWWPLS-UHFFFAOYSA-N 0 0 163.167 1.168 10 0 ADAERN CC[C@H](C)n1c(C)c[nH]c1=O 575535921 352581178 /nfs/dbraw/zinc/58/11/78/352581178.db2.gz JIHLSCBZFFKRND-LURJTMIESA-N 0 0 154.213 1.868 10 0 ADAERN CO[C@]1(C)C[C@@H]1Nc1ncc(N)s1 575530520 352556888 /nfs/dbraw/zinc/55/68/88/352556888.db2.gz FIVJZSCYJMWNLS-YLWLKBPMSA-N 0 0 199.279 1.315 10 0 ADAERN O=C(N[C@@]12CCCC[C@@H]1C2)C(F)F 575530548 352556995 /nfs/dbraw/zinc/55/69/95/352556995.db2.gz DEWKVWJOPNTCGF-HZGVNTEJSA-N 0 0 189.205 1.700 10 0 ADAERN CO[C@]1(C)C[C@H]1Nc1ncc(N)s1 575530514 352557000 /nfs/dbraw/zinc/55/70/00/352557000.db2.gz FIVJZSCYJMWNLS-SVGQVSJJSA-N 0 0 199.279 1.315 10 0 ADAERN O=C(N[C@]12CCCC[C@H]1C2)C(F)F 575530551 352557041 /nfs/dbraw/zinc/55/70/41/352557041.db2.gz DEWKVWJOPNTCGF-RCOVLWMOSA-N 0 0 189.205 1.700 10 0 ADAERN CO[C@@]1(C)C[C@@H]1Nc1ncc(N)s1 575530516 352557087 /nfs/dbraw/zinc/55/70/87/352557087.db2.gz FIVJZSCYJMWNLS-XNCJUZBTSA-N 0 0 199.279 1.315 10 0 ADAERN CO[C@@]1(C)C[C@H]1Nc1ncc(N)s1 575530518 352557141 /nfs/dbraw/zinc/55/71/41/352557141.db2.gz FIVJZSCYJMWNLS-XRGYYRRGSA-N 0 0 199.279 1.315 10 0 ADAERN C[C@H](O)[C@H]1CCNc2ccccc21 575530621 352557313 /nfs/dbraw/zinc/55/73/13/352557313.db2.gz GORSFFVYPAWUTL-DTWKUNHWSA-N 0 0 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/nfs/dbraw/zinc/57/54/49/352575449.db2.gz KFCLJEPCFGGQBZ-DTWKUNHWSA-N 0 0 156.225 1.326 10 0 ADAERN O[C@@H](C[C@@H]1CO1)C1CCCC1 575534527 352575461 /nfs/dbraw/zinc/57/54/61/352575461.db2.gz KFCLJEPCFGGQBZ-BDAKNGLRSA-N 0 0 156.225 1.326 10 0 ADAERN O=C(N[C@@]12CCCC[C@@H]1C2)C1CC1 575534611 352575506 /nfs/dbraw/zinc/57/55/06/352575506.db2.gz XNGJSWSWCNSXJS-MWLCHTKSSA-N 0 0 179.263 1.845 10 0 ADAERN C[C@@H]1CCC[C@@]1(O)C[C@H]1CO1 575534569 352575510 /nfs/dbraw/zinc/57/55/10/352575510.db2.gz KRZPOBFEARPACW-HRDYMLBCSA-N 0 0 156.225 1.326 10 0 ADAERN O[C@@H](C[C@H]1CO1)C1CCCC1 575534530 352575553 /nfs/dbraw/zinc/57/55/53/352575553.db2.gz KFCLJEPCFGGQBZ-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN C[C@@]1(CC2CCCC2)CC(=O)N1 575534583 352575583 /nfs/dbraw/zinc/57/55/83/352575583.db2.gz XIOYEKRWLIXYGK-SNVBAGLBSA-N 0 0 167.252 1.845 10 0 ADAERN NCc1nnc([C@@]23CCC[C@@H]2C3)s1 575534726 352575818 /nfs/dbraw/zinc/57/58/18/352575818.db2.gz XZLZJDQQPWVUFI-HZGVNTEJSA-N 0 0 195.291 1.438 10 0 ADAERN C1O[C@H]1[C@@H]1CC12CC2 575534747 352575789 /nfs/dbraw/zinc/57/57/89/352575789.db2.gz MWEZKIHHXOKDCR-NTSWFWBYSA-N 0 0 110.156 1.185 10 0 ADAERN COCC(C)(C)[C@@H]1CO1 575534659 352575869 /nfs/dbraw/zinc/57/58/69/352575869.db2.gz LFKIWTRDTOBPIQ-LURJTMIESA-N 0 0 130.187 1.058 10 0 ADAERN O=C(N[C@]12CCCC[C@H]1C2)C1CC1 575534698 352575879 /nfs/dbraw/zinc/57/58/79/352575879.db2.gz XNGJSWSWCNSXJS-ONGXEEELSA-N 0 0 179.263 1.845 10 0 ADAERN C1O[C@H]1[C@H]1CC12CC2 575534754 352575952 /nfs/dbraw/zinc/57/59/52/352575952.db2.gz MWEZKIHHXOKDCR-PHDIDXHHSA-N 0 0 110.156 1.185 10 0 ADAERN C1CC([C@@]2(C3CC3)CO2)C1 575534743 352575989 /nfs/dbraw/zinc/57/59/89/352575989.db2.gz MVGFTUQZFJUUHP-SECBINFHSA-N 0 0 138.210 1.966 10 0 ADAERN COCC(C)(C)[C@H]1CO1 575534660 352576073 /nfs/dbraw/zinc/57/60/73/352576073.db2.gz LFKIWTRDTOBPIQ-ZCFIWIBFSA-N 0 0 130.187 1.058 10 0 ADAERN C[C@@H](Nc1cncnc1)C(F)(F)F 575534624 352576122 /nfs/dbraw/zinc/57/61/22/352576122.db2.gz QPQQHDZTMPXBDC-RXMQYKEDSA-N 0 0 191.156 1.839 10 0 ADAERN C1CC([C@]2(C3CC3)CO2)C1 575534745 352576145 /nfs/dbraw/zinc/57/61/45/352576145.db2.gz MVGFTUQZFJUUHP-VIFPVBQESA-N 0 0 138.210 1.966 10 0 ADAERN NCc1nnc([C@]23CCC[C@H]2C3)s1 575534739 352576151 /nfs/dbraw/zinc/57/61/51/352576151.db2.gz XZLZJDQQPWVUFI-RCOVLWMOSA-N 0 0 195.291 1.438 10 0 ADAERN C1O[C@@H]1[C@H]1CC12CC2 575534756 352576163 /nfs/dbraw/zinc/57/61/63/352576163.db2.gz MWEZKIHHXOKDCR-RITPCOANSA-N 0 0 110.156 1.185 10 0 ADAERN C[C@H](Nc1cncnc1)C(F)(F)F 575534625 352576197 /nfs/dbraw/zinc/57/61/97/352576197.db2.gz QPQQHDZTMPXBDC-YFKPBYRVSA-N 0 0 191.156 1.839 10 0 ADAERN C1O[C@@H]1[C@@H]1CC12CC2 575534758 352576200 /nfs/dbraw/zinc/57/62/00/352576200.db2.gz MWEZKIHHXOKDCR-WDSKDSINSA-N 0 0 110.156 1.185 10 0 ADAERN C1CC2(CC2)[C@@]2(C1)CO2 575534777 352576732 /nfs/dbraw/zinc/57/67/32/352576732.db2.gz NHXABTFTSFRHNP-MRVPVSSYSA-N 0 0 124.183 1.720 10 0 ADAERN O=CN[C@H]1CCC12CCCC2 575534883 352576489 /nfs/dbraw/zinc/57/64/89/352576489.db2.gz SAKVQLJADIYJCA-QMMMGPOBSA-N 0 0 153.225 1.455 10 0 ADAERN CN(C(N)=S)[C@@H]1CCCSC1 575534815 352576573 /nfs/dbraw/zinc/57/65/73/352576573.db2.gz NLVWEEMGXMAFCS-ZCFIWIBFSA-N 0 0 190.337 1.057 10 0 ADAERN O=CN[C@@H]1CCC12CCCC2 575534881 352576592 /nfs/dbraw/zinc/57/65/92/352576592.db2.gz SAKVQLJADIYJCA-MRVPVSSYSA-N 0 0 153.225 1.455 10 0 ADAERN C1CC2(CC2)[C@]2(C1)CO2 575534786 352576656 /nfs/dbraw/zinc/57/66/56/352576656.db2.gz NHXABTFTSFRHNP-QMMMGPOBSA-N 0 0 124.183 1.720 10 0 ADAERN CN(C(N)=S)[C@H]1CCCSC1 575534806 352576786 /nfs/dbraw/zinc/57/67/86/352576786.db2.gz NLVWEEMGXMAFCS-LURJTMIESA-N 0 0 190.337 1.057 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)C1CCC1 575535022 352577129 /nfs/dbraw/zinc/57/71/29/352577129.db2.gz ZXLNFHCBUYRAGL-SFYZADRCSA-N 0 0 154.209 1.391 10 0 ADAERN O=C([O-])C1=CC[C@H]([NH+]2CCCC2)C1 575534925 352577155 /nfs/dbraw/zinc/57/71/55/352577155.db2.gz UHOJFSGFZHSJRF-VIFPVBQESA-N 0 0 181.235 1.256 10 0 ADAERN O=C([O-])C1=CC[C@@H]([NH+]2CCCC2)C1 575534924 352577160 /nfs/dbraw/zinc/57/71/60/352577160.db2.gz UHOJFSGFZHSJRF-SECBINFHSA-N 0 0 181.235 1.256 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)C1CCC1 575535020 352577186 /nfs/dbraw/zinc/57/71/86/352577186.db2.gz ZXLNFHCBUYRAGL-JGVFFNPUSA-N 0 0 154.209 1.391 10 0 ADAERN CO[C@H]1C[C@@H]1C(=O)C1CCC1 575535023 352577199 /nfs/dbraw/zinc/57/71/99/352577199.db2.gz ZXLNFHCBUYRAGL-YUMQZZPRSA-N 0 0 154.209 1.391 10 0 ADAERN CC1(C)CC[C@@](O)(C[C@@H]2CO2)C1 575535019 352577210 /nfs/dbraw/zinc/57/72/10/352577210.db2.gz OCYSRVPSAKJERZ-PSASIEDQSA-N 0 0 170.252 1.717 10 0 ADAERN CC1(C)CC[C@](O)(C[C@@H]2CO2)C1 575535021 352577247 /nfs/dbraw/zinc/57/72/47/352577247.db2.gz OCYSRVPSAKJERZ-SCZZXKLOSA-N 0 0 170.252 1.717 10 0 ADAERN CC1(C)CC[C@@](O)(C[C@H]2CO2)C1 575535025 352577260 /nfs/dbraw/zinc/57/72/60/352577260.db2.gz OCYSRVPSAKJERZ-WCBMZHEXSA-N 0 0 170.252 1.717 10 0 ADAERN CC1(C)CC[C@](O)(C[C@H]2CO2)C1 575535026 352577298 /nfs/dbraw/zinc/57/72/98/352577298.db2.gz OCYSRVPSAKJERZ-WPRPVWTQSA-N 0 0 170.252 1.717 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)C1CCC1 575535018 352577401 /nfs/dbraw/zinc/57/74/01/352577401.db2.gz ZXLNFHCBUYRAGL-HTQZYQBOSA-N 0 0 154.209 1.391 10 0 ADAERN CC(C)[C@@]1(C2CC2)CO1 575535039 352577825 /nfs/dbraw/zinc/57/78/25/352577825.db2.gz OGZRVMVFBBMXDD-MRVPVSSYSA-N 0 0 126.199 1.821 10 0 ADAERN C[C@H]1CC[C@]2(CS1)CC(=O)N2 575535082 352577854 /nfs/dbraw/zinc/57/78/54/352577854.db2.gz QYHCCLJHZDLCSK-POYBYMJQSA-N 0 0 171.265 1.161 10 0 ADAERN CC(C)[C@@H]1CCCN(C(N)=S)C1 575535115 352577874 /nfs/dbraw/zinc/57/78/74/352577874.db2.gz VKPTVUOIVBOSTL-MRVPVSSYSA-N 0 0 186.324 1.598 10 0 ADAERN C[C@@H]1CO[C@](C)(C(F)F)C[NH2+]1 575535147 352577888 /nfs/dbraw/zinc/57/78/88/352577888.db2.gz VWEMPRFLOBLEPR-VDTYLAMSSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@H]1CC[C@@H](NC=O)CS1 575535100 352577893 /nfs/dbraw/zinc/57/78/93/352577893.db2.gz RPGCKKVCGUQLRS-NKWVEPMBSA-N 0 0 159.254 1.017 10 0 ADAERN C[C@@H]1CC[C@]2(COC(N)=N2)CS1 575535056 352577898 /nfs/dbraw/zinc/57/78/98/352577898.db2.gz PLBRQGKZEAKLMU-SVRRBLITSA-N 0 0 186.280 1.195 10 0 ADAERN C[C@@H]1[NH2+]C[C@@](C)(C(F)F)O[C@@H]1C 575535172 352577909 /nfs/dbraw/zinc/57/79/09/352577909.db2.gz WFQFRQGRJJKSGV-BBVRLYRLSA-N 0 0 179.210 1.407 10 0 ADAERN C[C@H]1CC[C@@]2(COC(N)=N2)CS1 575535055 352577914 /nfs/dbraw/zinc/57/79/14/352577914.db2.gz PLBRQGKZEAKLMU-POYBYMJQSA-N 0 0 186.280 1.195 10 0 ADAERN C[C@H]1CC[C@@]2(CS1)CC(=O)N2 575535084 352577934 /nfs/dbraw/zinc/57/79/34/352577934.db2.gz QYHCCLJHZDLCSK-XPUUQOCRSA-N 0 0 171.265 1.161 10 0 ADAERN CC(C)[C@]1(C2CC2)CO1 575535040 352577936 /nfs/dbraw/zinc/57/79/36/352577936.db2.gz OGZRVMVFBBMXDD-QMMMGPOBSA-N 0 0 126.199 1.821 10 0 ADAERN CC(C)[C@H]1CCCN(C(N)=S)C1 575535116 352577968 /nfs/dbraw/zinc/57/79/68/352577968.db2.gz VKPTVUOIVBOSTL-QMMMGPOBSA-N 0 0 186.324 1.598 10 0 ADAERN C[C@H]1CC[C@]2(COC(N)=N2)CS1 575535057 352577975 /nfs/dbraw/zinc/57/79/75/352577975.db2.gz PLBRQGKZEAKLMU-XPUUQOCRSA-N 0 0 186.280 1.195 10 0 ADAERN CC1(C)C[C@@H]1[C@@H](O)C[C@@H]1CO1 575535104 352577988 /nfs/dbraw/zinc/57/79/88/352577988.db2.gz RPWSHIMRFTWMKG-PRJMDXOYSA-N 0 0 156.225 1.182 10 0 ADAERN CC1(C)C[C@@H]1[C@@H](O)C[C@H]1CO1 575535105 352577999 /nfs/dbraw/zinc/57/79/99/352577999.db2.gz RPWSHIMRFTWMKG-RNJXMRFFSA-N 0 0 156.225 1.182 10 0 ADAERN CC1(C)C[C@@H]1[C@H](O)C[C@H]1CO1 575535106 352578012 /nfs/dbraw/zinc/57/80/12/352578012.db2.gz RPWSHIMRFTWMKG-XLPZGREQSA-N 0 0 156.225 1.182 10 0 ADAERN C[C@@H]1[NH2+]C[C@](C)(C(F)F)O[C@H]1C 575535175 352578021 /nfs/dbraw/zinc/57/80/21/352578021.db2.gz WFQFRQGRJJKSGV-VMHSAVOQSA-N 0 0 179.210 1.407 10 0 ADAERN C[C@@H]1CC[C@@H](NC=O)CS1 575535101 352578028 /nfs/dbraw/zinc/57/80/28/352578028.db2.gz RPGCKKVCGUQLRS-RNFRBKRXSA-N 0 0 159.254 1.017 10 0 ADAERN C[C@@H]1CC[C@@]2(COC(N)=N2)CS1 575535054 352578031 /nfs/dbraw/zinc/57/80/31/352578031.db2.gz PLBRQGKZEAKLMU-HTRCEHHLSA-N 0 0 186.280 1.195 10 0 ADAERN CC1(C)C[C@@H]1[C@H](O)C[C@@H]1CO1 575535103 352578039 /nfs/dbraw/zinc/57/80/39/352578039.db2.gz RPWSHIMRFTWMKG-BWZBUEFSSA-N 0 0 156.225 1.182 10 0 ADAERN C[C@@H]1CO[C@@](C)(C(F)F)C[NH2+]1 575535146 352578040 /nfs/dbraw/zinc/57/80/40/352578040.db2.gz VWEMPRFLOBLEPR-IYSWYEEDSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@H]1CO[C@@](C)(C(F)F)C[NH2+]1 575535144 352578047 /nfs/dbraw/zinc/57/80/47/352578047.db2.gz VWEMPRFLOBLEPR-CAHLUQPWSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@@H]1C[C@H]1[C@H]1CO1 575535085 352578070 /nfs/dbraw/zinc/57/80/70/352578070.db2.gz RCBGOIVGIFJDFC-HSUXUTPPSA-N 0 0 98.145 1.041 10 0 ADAERN C[C@@H]1[NH2+]C[C@@](C)(C(F)F)O[C@H]1C 575535173 352578096 /nfs/dbraw/zinc/57/80/96/352578096.db2.gz WFQFRQGRJJKSGV-HAFWLYHUSA-N 0 0 179.210 1.407 10 0 ADAERN C[C@H]1CO[C@](C)(C(F)F)C[NH2+]1 575535145 352578104 /nfs/dbraw/zinc/57/81/04/352578104.db2.gz VWEMPRFLOBLEPR-FSPLSTOPSA-N 0 0 165.183 1.019 10 0 ADAERN C[C@H]1CC[C@H](NC=O)CS1 575535099 352578109 /nfs/dbraw/zinc/57/81/09/352578109.db2.gz RPGCKKVCGUQLRS-BQBZGAKWSA-N 0 0 159.254 1.017 10 0 ADAERN C[C@@H]1CC[C@@]2(CS1)CC(=O)N2 575535083 352578126 /nfs/dbraw/zinc/57/81/26/352578126.db2.gz QYHCCLJHZDLCSK-SVRRBLITSA-N 0 0 171.265 1.161 10 0 ADAERN C[C@@H]1[NH2+]C[C@](C)(C(F)F)O[C@@H]1C 575535174 352578127 /nfs/dbraw/zinc/57/81/27/352578127.db2.gz WFQFRQGRJJKSGV-SHYZEUOFSA-N 0 0 179.210 1.407 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1CO1 575535086 352578135 /nfs/dbraw/zinc/57/81/35/352578135.db2.gz RCBGOIVGIFJDFC-NGJCXOISSA-N 0 0 98.145 1.041 10 0 ADAERN C[C@@H]1CC[C@]2(CS1)CC(=O)N2 575535081 352578137 /nfs/dbraw/zinc/57/81/37/352578137.db2.gz QYHCCLJHZDLCSK-HTRCEHHLSA-N 0 0 171.265 1.161 10 0 ADAERN C[C@@H]1CC[C@H](NC=O)CS1 575535102 352578138 /nfs/dbraw/zinc/57/81/38/352578138.db2.gz RPGCKKVCGUQLRS-RQJHMYQMSA-N 0 0 159.254 1.017 10 0 ADAERN C[C@](O)(C[C@H]1CO1)C(F)(F)F 575535259 352578405 /nfs/dbraw/zinc/57/84/05/352578405.db2.gz SIQBGQDYTSYOLB-WHFBIAKZSA-N 0 0 170.130 1.089 10 0 ADAERN C[C@H]1[C@H](C)CCC[C@]1(O)C[C@H]1CO1 575535273 352578378 /nfs/dbraw/zinc/57/83/78/352578378.db2.gz SOQSOOIRXWBCHY-RCWTZXSCSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1CC[C@]2(CNC(=O)C2)CS1 575535276 352578398 /nfs/dbraw/zinc/57/83/98/352578398.db2.gz SPMRAMZJXXSAQX-APPZFPTMSA-N 0 0 185.292 1.408 10 0 ADAERN CC(C)[C@@]1(C)C[NH2+]C[C@@]1(F)C(=O)[O-] 575535255 352578411 /nfs/dbraw/zinc/57/84/11/352578411.db2.gz SGQQEDWKSVHORH-RKDXNWHRSA-N 0 0 189.230 1.045 10 0 ADAERN Cn1cncc1-c1cccc(N)n1 575535225 352578419 /nfs/dbraw/zinc/57/84/19/352578419.db2.gz XESXNSKZWYHGIL-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC1(C)CC[C@]1(O)C[C@@H]1CO1 575535299 352578423 /nfs/dbraw/zinc/57/84/23/352578423.db2.gz SRQZTHGQCNMTNV-APPZFPTMSA-N 0 0 156.225 1.326 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@@H](C)SC1 575535283 352578473 /nfs/dbraw/zinc/57/84/73/352578473.db2.gz SQNIQYQUDIFYCN-HTQZYQBOSA-N 0 0 187.308 1.797 10 0 ADAERN C[C@H]1[C@H](C)CCC[C@]1(O)C[C@@H]1CO1 575535274 352578477 /nfs/dbraw/zinc/57/84/77/352578477.db2.gz SOQSOOIRXWBCHY-YTWAJWBKSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@H]1CC[C@]2(CNC(=O)C2)CS1 575535277 352578484 /nfs/dbraw/zinc/57/84/84/352578484.db2.gz SPMRAMZJXXSAQX-CBAPKCEASA-N 0 0 185.292 1.408 10 0 ADAERN CCC(=O)N[C@@H]1CC[C@H](C)SC1 575535284 352578487 /nfs/dbraw/zinc/57/84/87/352578487.db2.gz SQNIQYQUDIFYCN-JGVFFNPUSA-N 0 0 187.308 1.797 10 0 ADAERN CCC(=O)N[C@H]1CC[C@@H](C)SC1 575535287 352578498 /nfs/dbraw/zinc/57/84/98/352578498.db2.gz SQNIQYQUDIFYCN-SFYZADRCSA-N 0 0 187.308 1.797 10 0 ADAERN C[C@@](O)(C[C@@H]1CO1)C(F)(F)F 575535257 352578501 /nfs/dbraw/zinc/57/85/01/352578501.db2.gz SIQBGQDYTSYOLB-RFZPGFLSSA-N 0 0 170.130 1.089 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]1(O)C[C@@H]1CO1 575535203 352578509 /nfs/dbraw/zinc/57/85/09/352578509.db2.gz RTPQYQAKHKCAFE-FXPVBKGRSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1CC[C@@]2(CS1)CC(=O)N[C@@H]2C 575535312 352578544 /nfs/dbraw/zinc/57/85/44/352578544.db2.gz STBLFRARBUSIET-MRTMQBJTSA-N 0 0 199.319 1.797 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@]1(O)C[C@H]1CO1 575535216 352578555 /nfs/dbraw/zinc/57/85/55/352578555.db2.gz RTPQYQAKHKCAFE-YWVKMMECSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@@H]1CC[C@]2(CS1)CC(=O)N[C@@H]2C 575535314 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C[C@@H]1C[C@@H]1C(=O)[C@@H]1CCCC(=O)C1 575536888 352587029 /nfs/dbraw/zinc/58/70/29/352587029.db2.gz AUUFKZUHSJWKSM-MRTMQBJTSA-N 0 0 180.247 1.971 10 0 ADAERN CC1(C)C[C@@](O)(C[C@H]2CO2)CCO1 575536875 352587036 /nfs/dbraw/zinc/58/70/36/352587036.db2.gz DPXVONPFSIPWTR-WPRPVWTQSA-N 0 0 186.251 1.095 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1ccc(F)cn1 575537016 352587605 /nfs/dbraw/zinc/58/76/05/352587605.db2.gz DMJVCSFNPGTZRN-RKDXNWHRSA-N 0 0 179.194 1.913 10 0 ADAERN Nc1cnc(N2CC[C@H]3C[C@H]32)s1 575536965 352587633 /nfs/dbraw/zinc/58/76/33/352587633.db2.gz BNHBKVRPNVCDQT-NTSWFWBYSA-N 0 0 181.264 1.324 10 0 ADAERN Nc1cnc(N2CC[C@@H]3C[C@@H]32)s1 575536969 352587792 /nfs/dbraw/zinc/58/77/92/352587792.db2.gz BNHBKVRPNVCDQT-RITPCOANSA-N 0 0 181.264 1.324 10 0 ADAERN C/C=C/[C@@H](O)c1c(C)n[nH]c1C 575537162 352588045 /nfs/dbraw/zinc/58/80/45/352588045.db2.gz RYFRNSQNAPQVGW-WTSVBCDHSA-N 0 0 166.224 1.636 10 0 ADAERN C[C@H]1C[C@](O)(C[C@H]2CO2)C[C@@H](C)O1 575537160 352587975 /nfs/dbraw/zinc/58/79/75/352587975.db2.gz RWIQZVCWAKDYLJ-QCLAVDOMSA-N 0 0 186.251 1.094 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1cc[nH]c1 575537087 352588043 /nfs/dbraw/zinc/58/80/43/352588043.db2.gz GCINSANSKOVLFT-CBAPKCEASA-N 0 0 179.219 1.480 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1cc[nH]c1 575537089 352588049 /nfs/dbraw/zinc/58/80/49/352588049.db2.gz GCINSANSKOVLFT-VXNVDRBHSA-N 0 0 179.219 1.480 10 0 ADAERN OC1(C[C@@H]2CO2)CCC(F)(F)CC1 575537144 352588112 /nfs/dbraw/zinc/58/81/12/352588112.db2.gz PIYNEWLLJOZNBV-SSDOTTSWSA-N 0 0 192.205 1.716 10 0 ADAERN C[C@H]1C[C@](O)(C[C@@H]2CO2)C[C@@H](C)O1 575537161 352588114 /nfs/dbraw/zinc/58/81/14/352588114.db2.gz RWIQZVCWAKDYLJ-RGOKHQFPSA-N 0 0 186.251 1.094 10 0 ADAERN OC1(C[C@H]2CO2)CCC(F)(F)CC1 575537145 352588122 /nfs/dbraw/zinc/58/81/22/352588122.db2.gz PIYNEWLLJOZNBV-ZETCQYMHSA-N 0 0 192.205 1.716 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1cc[nH]c1 575537088 352588133 /nfs/dbraw/zinc/58/81/33/352588133.db2.gz GCINSANSKOVLFT-IONNQARKSA-N 0 0 179.219 1.480 10 0 ADAERN C[C@@H]1CC(O)(C[C@H]2CO2)C[C@@H](C)O1 575537158 352588228 /nfs/dbraw/zinc/58/82/28/352588228.db2.gz RWIQZVCWAKDYLJ-HLTSFMKQSA-N 0 0 186.251 1.094 10 0 ADAERN C[C@@H]1CC(O)(C[C@@H]2CO2)C[C@@H](C)O1 575537159 352588234 /nfs/dbraw/zinc/58/82/34/352588234.db2.gz RWIQZVCWAKDYLJ-IWSPIJDZSA-N 0 0 186.251 1.094 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1cc[nH]c1 575537086 352588260 /nfs/dbraw/zinc/58/82/60/352588260.db2.gz GCINSANSKOVLFT-APPZFPTMSA-N 0 0 179.219 1.480 10 0 ADAERN CC(C)[C@H]1C[C@@]2(CO1)CO2 575537180 352588702 /nfs/dbraw/zinc/58/87/02/352588702.db2.gz WMPGKNSYRTVWGV-HTQZYQBOSA-N 0 0 142.198 1.200 10 0 ADAERN CC(C)[C@H]1COC[C@@]12CO2 575537196 352588711 /nfs/dbraw/zinc/58/87/11/352588711.db2.gz YUGKIMDUBRTMDL-HTQZYQBOSA-N 0 0 142.198 1.058 10 0 ADAERN Nc1cccc(N2CC[C@@H]3C[C@@H]32)c1 575537221 352588797 /nfs/dbraw/zinc/58/87/97/352588797.db2.gz COIVRMTZVDHCJF-KCJUWKMLSA-N 0 0 174.247 1.867 10 0 ADAERN Nc1cccc(N2CC[C@H]3C[C@H]32)c1 575537220 352588800 /nfs/dbraw/zinc/58/88/00/352588800.db2.gz COIVRMTZVDHCJF-GZMMTYOYSA-N 0 0 174.247 1.867 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)[C@H]1CCC(=O)C1 575537258 352588811 /nfs/dbraw/zinc/58/88/11/352588811.db2.gz DHLGVWKLSOVSLC-FJXKBIBVSA-N 0 0 166.220 1.581 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2C2CC2)n[nH]1 575537187 352588842 /nfs/dbraw/zinc/58/88/42/352588842.db2.gz WVRZTBOVMKOJFS-JGVFFNPUSA-N 0 0 163.224 1.627 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)[C@@H]1CCC(=O)C1 575537256 352588848 /nfs/dbraw/zinc/58/88/48/352588848.db2.gz DHLGVWKLSOVSLC-BHNWBGBOSA-N 0 0 166.220 1.581 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H](O)C(F)F 575537201 352588903 /nfs/dbraw/zinc/58/89/03/352588903.db2.gz ZGGYUPXRLVVHSA-ZCFIWIBFSA-N 0 0 176.166 1.325 10 0 ADAERN Cc1nc([C@H]2C[C@H]2C2CC2)n[nH]1 575537189 352588909 /nfs/dbraw/zinc/58/89/09/352588909.db2.gz WVRZTBOVMKOJFS-YUMQZZPRSA-N 0 0 163.224 1.627 10 0 ADAERN CC(C)[C@@H]1COC[C@@]12CO2 575537197 352588931 /nfs/dbraw/zinc/58/89/31/352588931.db2.gz YUGKIMDUBRTMDL-JGVFFNPUSA-N 0 0 142.198 1.058 10 0 ADAERN CC(C)[C@H]1COC[C@]12CO2 575537198 352588939 /nfs/dbraw/zinc/58/89/39/352588939.db2.gz YUGKIMDUBRTMDL-SFYZADRCSA-N 0 0 142.198 1.058 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)[C@@H]1CCC(=O)C1 575537259 352588960 /nfs/dbraw/zinc/58/89/60/352588960.db2.gz DHLGVWKLSOVSLC-ZXFLCMHBSA-N 0 0 166.220 1.581 10 0 ADAERN CC(C)[C@@H]1C[C@]2(CO1)CO2 575537183 352589001 /nfs/dbraw/zinc/58/90/01/352589001.db2.gz WMPGKNSYRTVWGV-YUMQZZPRSA-N 0 0 142.198 1.200 10 0 ADAERN CC(C)[C@H]1C[C@]2(CO1)CO2 575537182 352589003 /nfs/dbraw/zinc/58/90/03/352589003.db2.gz WMPGKNSYRTVWGV-SFYZADRCSA-N 0 0 142.198 1.200 10 0 ADAERN Cc1nc([C@H]2C[C@@H]2C2CC2)n[nH]1 575537188 352589007 /nfs/dbraw/zinc/58/90/07/352589007.db2.gz WVRZTBOVMKOJFS-SFYZADRCSA-N 0 0 163.224 1.627 10 0 ADAERN C[C@@H]1C[C@H]1C(=O)[C@H]1CCC(=O)C1 575537257 352589016 /nfs/dbraw/zinc/58/90/16/352589016.db2.gz DHLGVWKLSOVSLC-BKPPORCPSA-N 0 0 166.220 1.581 10 0 ADAERN CC(C)[C@@H]1C[C@@]2(CO1)CO2 575537181 352589017 /nfs/dbraw/zinc/58/90/17/352589017.db2.gz WMPGKNSYRTVWGV-JGVFFNPUSA-N 0 0 142.198 1.200 10 0 ADAERN Cc1n[nH]c(C)c1[C@H](O)C(F)F 575537200 352589021 /nfs/dbraw/zinc/58/90/21/352589021.db2.gz ZGGYUPXRLVVHSA-LURJTMIESA-N 0 0 176.166 1.325 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2C2CC2)n[nH]1 575537186 352589024 /nfs/dbraw/zinc/58/90/24/352589024.db2.gz WVRZTBOVMKOJFS-HTQZYQBOSA-N 0 0 163.224 1.627 10 0 ADAERN Cc1cc(N)n(C[C@H]2CC23CC3)n1 575537281 352589423 /nfs/dbraw/zinc/58/94/23/352589423.db2.gz DRSRHYICLDQWNL-MRVPVSSYSA-N 0 0 177.251 1.574 10 0 ADAERN Cc1cc(N)n(C[C@@H]2CC23CC3)n1 575537282 352589553 /nfs/dbraw/zinc/58/95/53/352589553.db2.gz DRSRHYICLDQWNL-QMMMGPOBSA-N 0 0 177.251 1.574 10 0 ADAERN Nc1ncccc1N1CC[C@@H]2C[C@@H]21 575537273 352589664 /nfs/dbraw/zinc/58/96/64/352589664.db2.gz DORRSZODGCZKNW-APPZFPTMSA-N 0 0 175.235 1.262 10 0 ADAERN Nc1ncccc1N1CC[C@H]2C[C@H]21 575537275 352589829 /nfs/dbraw/zinc/58/98/29/352589829.db2.gz DORRSZODGCZKNW-IONNQARKSA-N 0 0 175.235 1.262 10 0 ADAERN CC1(C)CCN1c1cncc(N)n1 575537478 352590220 /nfs/dbraw/zinc/59/02/20/352590220.db2.gz FUJBVCMQWMGQRA-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN c1n[nH]cc1NC[C@@H]1CC12CC2 575537552 352591013 /nfs/dbraw/zinc/59/10/13/352591013.db2.gz ITMIARIYJJRGTB-ZETCQYMHSA-N 0 0 163.224 1.622 10 0 ADAERN c1n[nH]cc1NC[C@H]1CC12CC2 575537551 352591124 /nfs/dbraw/zinc/59/11/24/352591124.db2.gz ITMIARIYJJRGTB-SSDOTTSWSA-N 0 0 163.224 1.622 10 0 ADAERN O=C1CC(=O)CC([C@@H]2CC23CC3)C1 575537647 352591552 /nfs/dbraw/zinc/59/15/52/352591552.db2.gz HHWQNAYPNDGRGV-JTQLQIEISA-N 0 0 178.231 1.725 10 0 ADAERN Nc1ccccc1N1CC[C@@H]2C[C@@H]21 575537743 352591818 /nfs/dbraw/zinc/59/18/18/352591818.db2.gz IQUMUOYKKXVTNR-KCJUWKMLSA-N 0 0 174.247 1.867 10 0 ADAERN Nc1ccccc1N1CC[C@H]2C[C@H]21 575537741 352591820 /nfs/dbraw/zinc/59/18/20/352591820.db2.gz IQUMUOYKKXVTNR-GZMMTYOYSA-N 0 0 174.247 1.867 10 0 ADAERN O=C1CC(=O)CC([C@H]2CC23CC3)C1 575537648 352591887 /nfs/dbraw/zinc/59/18/87/352591887.db2.gz HHWQNAYPNDGRGV-SNVBAGLBSA-N 0 0 178.231 1.725 10 0 ADAERN CC1(C)CCN1c1nccnc1N 575537672 352591892 /nfs/dbraw/zinc/59/18/92/352591892.db2.gz IAYPNUFMUIJICT-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN C[C@@H]1C[C@@H]1C1CC(=O)CC(=O)C1 575537931 352592204 /nfs/dbraw/zinc/59/22/04/352592204.db2.gz JHVIBKHNEDSHMS-LDWIPMOCSA-N 0 0 166.220 1.581 10 0 ADAERN C[C@H]1C[C@H]1C1CC(=O)CC(=O)C1 575537933 352592208 /nfs/dbraw/zinc/59/22/08/352592208.db2.gz JHVIBKHNEDSHMS-QUBYGPBYSA-N 0 0 166.220 1.581 10 0 ADAERN CNC(=S)N1CCC(CF)CC1 575537856 352592254 /nfs/dbraw/zinc/59/22/54/352592254.db2.gz MHJXTLTVSMZETQ-UHFFFAOYSA-N 0 0 190.287 1.172 10 0 ADAERN C[C@H]1C[C@@H]1C1CC(=O)CC(=O)C1 575537934 352592283 /nfs/dbraw/zinc/59/22/83/352592283.db2.gz JHVIBKHNEDSHMS-WKEGUHRASA-N 0 0 166.220 1.581 10 0 ADAERN C[C@@H]1C[C@H]1C1CC(=O)CC(=O)C1 575537932 352592339 /nfs/dbraw/zinc/59/23/39/352592339.db2.gz JHVIBKHNEDSHMS-LHLIQPBNSA-N 0 0 166.220 1.581 10 0 ADAERN Nc1cc(N2CC[C@@H]3C[C@@H]32)sn1 575537994 352592846 /nfs/dbraw/zinc/59/28/46/352592846.db2.gz KMDUNSUGTSXHQY-RITPCOANSA-N 0 0 181.264 1.324 10 0 ADAERN O=C1CCO[C@H]([C@@H]2CC23CC3)C1 575537988 352592894 /nfs/dbraw/zinc/59/28/94/352592894.db2.gz KIMQJEFBTWJHJT-IUCAKERBSA-N 0 0 166.220 1.535 10 0 ADAERN Nc1cc(N2CC[C@H]3C[C@H]32)sn1 575537992 352592929 /nfs/dbraw/zinc/59/29/29/352592929.db2.gz KMDUNSUGTSXHQY-NTSWFWBYSA-N 0 0 181.264 1.324 10 0 ADAERN O=C1CCO[C@@H]([C@H]2CC23CC3)C1 575537989 352593059 /nfs/dbraw/zinc/59/30/59/352593059.db2.gz KIMQJEFBTWJHJT-RKDXNWHRSA-N 0 0 166.220 1.535 10 0 ADAERN O=C1CCO[C@@H]([C@@H]2CC23CC3)C1 575537986 352593095 /nfs/dbraw/zinc/59/30/95/352593095.db2.gz KIMQJEFBTWJHJT-DTWKUNHWSA-N 0 0 166.220 1.535 10 0 ADAERN O=C1CCO[C@H]([C@H]2CC23CC3)C1 575537985 352593098 /nfs/dbraw/zinc/59/30/98/352593098.db2.gz KIMQJEFBTWJHJT-BDAKNGLRSA-N 0 0 166.220 1.535 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C 575538176 352593432 /nfs/dbraw/zinc/59/34/32/352593432.db2.gz LDJAATZVAQFBCE-IZJRFANQSA-N 0 0 138.210 1.868 10 0 ADAERN O=C1CO[C@H](c2ccc(F)cn2)C1 575538135 352593442 /nfs/dbraw/zinc/59/34/42/352593442.db2.gz PNJZHVLXZSXBRE-VIFPVBQESA-N 0 0 181.166 1.251 10 0 ADAERN CC1(C)CCN1c1cnc(N)cn1 575538213 352593449 /nfs/dbraw/zinc/59/34/49/352593449.db2.gz LLFLVPHGTLIFBT-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN O=C1CC[C@@H](C(=O)[C@H]2CC23CC3)C1 575538184 352593458 /nfs/dbraw/zinc/59/34/58/352593458.db2.gz LDQYRQONSSHCSA-VXNVDRBHSA-N 0 0 178.231 1.725 10 0 ADAERN O=C1CO[C@@H](c2ccc(F)cn2)C1 575538134 352593460 /nfs/dbraw/zinc/59/34/60/352593460.db2.gz PNJZHVLXZSXBRE-SECBINFHSA-N 0 0 181.166 1.251 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 575538174 352593462 /nfs/dbraw/zinc/59/34/62/352593462.db2.gz LDJAATZVAQFBCE-BUJSFMDZSA-N 0 0 138.210 1.868 10 0 ADAERN Cc1cocc1-c1nnc(CN)o1 575538236 352593496 /nfs/dbraw/zinc/59/34/96/352593496.db2.gz LOSLLUBNXHLWKD-UHFFFAOYSA-N 0 0 179.179 1.097 10 0 ADAERN O=C1CC[C@H](C(=O)[C@@H]2CC23CC3)C1 575538182 352593518 /nfs/dbraw/zinc/59/35/18/352593518.db2.gz LDQYRQONSSHCSA-CBAPKCEASA-N 0 0 178.231 1.725 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C 575538177 352593573 /nfs/dbraw/zinc/59/35/73/352593573.db2.gz LDJAATZVAQFBCE-RSWFSCQZSA-N 0 0 138.210 1.868 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 575538175 352593590 /nfs/dbraw/zinc/59/35/90/352593590.db2.gz LDJAATZVAQFBCE-DHJWIAQBSA-N 0 0 138.210 1.868 10 0 ADAERN O=C1CC[C@H](C(=O)[C@H]2CC23CC3)C1 575538183 352593645 /nfs/dbraw/zinc/59/36/45/352593645.db2.gz LDQYRQONSSHCSA-IONNQARKSA-N 0 0 178.231 1.725 10 0 ADAERN C[C@@H]1C[C@H]1[C@H]1CC(=O)CO1 575538274 352594024 /nfs/dbraw/zinc/59/40/24/352594024.db2.gz MASALJBYNPNKGV-LPBLVHEISA-N 0 0 140.182 1.000 10 0 ADAERN CC(=O)CN1CCCC[C@H](C)C1=O 575538376 352594039 /nfs/dbraw/zinc/59/40/39/352594039.db2.gz QPHYAKLIJYHJBC-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN CNc1snnc1CN1CC[C@H]1C 575538239 352594073 /nfs/dbraw/zinc/59/40/73/352594073.db2.gz LQVXXFAHYRSBMY-ZCFIWIBFSA-N 0 0 198.295 1.174 10 0 ADAERN CNc1snnc1CN1CC[C@@H]1C 575538238 352594083 /nfs/dbraw/zinc/59/40/83/352594083.db2.gz LQVXXFAHYRSBMY-LURJTMIESA-N 0 0 198.295 1.174 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1CC(=O)CO1 575538275 352594137 /nfs/dbraw/zinc/59/41/37/352594137.db2.gz MASALJBYNPNKGV-MHSYXAOVSA-N 0 0 140.182 1.000 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1ccco1 575538358 352594216 /nfs/dbraw/zinc/59/42/16/352594216.db2.gz PWONYSSPCSQQFS-YUMQZZPRSA-N 0 0 180.203 1.745 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1ccco1 575538355 352594234 /nfs/dbraw/zinc/59/42/34/352594234.db2.gz PWONYSSPCSQQFS-HTQZYQBOSA-N 0 0 180.203 1.745 10 0 ADAERN O=C1CO[C@@H]([C@H]2CC23CC3)C1 575538282 352594273 /nfs/dbraw/zinc/59/42/73/352594273.db2.gz MCNPJRYBRNKFDC-HTQZYQBOSA-N 0 0 152.193 1.145 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1ccco1 575538356 352594321 /nfs/dbraw/zinc/59/43/21/352594321.db2.gz PWONYSSPCSQQFS-JGVFFNPUSA-N 0 0 180.203 1.745 10 0 ADAERN CC(=O)CN1CCCC[C@@H](C)C1=O 575538375 352594350 /nfs/dbraw/zinc/59/43/50/352594350.db2.gz QPHYAKLIJYHJBC-MRVPVSSYSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H]1CC(=O)CO1 575538276 352594421 /nfs/dbraw/zinc/59/44/21/352594421.db2.gz MASALJBYNPNKGV-NJUXHZRNSA-N 0 0 140.182 1.000 10 0 ADAERN O=C1CO[C@H]([C@H]2CC23CC3)C1 575538284 352594428 /nfs/dbraw/zinc/59/44/28/352594428.db2.gz MCNPJRYBRNKFDC-SFYZADRCSA-N 0 0 152.193 1.145 10 0 ADAERN O=C1CO[C@@H]([C@@H]2CC23CC3)C1 575538283 352594451 /nfs/dbraw/zinc/59/44/51/352594451.db2.gz MCNPJRYBRNKFDC-JGVFFNPUSA-N 0 0 152.193 1.145 10 0 ADAERN O=C1CO[C@H]([C@@H]2CC23CC3)C1 575538285 352594454 /nfs/dbraw/zinc/59/44/54/352594454.db2.gz MCNPJRYBRNKFDC-YUMQZZPRSA-N 0 0 152.193 1.145 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1nccc1N 575538496 352594777 /nfs/dbraw/zinc/59/47/77/352594777.db2.gz NHPWSHUNZXMHOK-RNFRBKRXSA-N 0 0 151.213 1.121 10 0 ADAERN C[C@H]1C[C@@H]1Cn1nccc1N 575538494 352594789 /nfs/dbraw/zinc/59/47/89/352594789.db2.gz NHPWSHUNZXMHOK-NKWVEPMBSA-N 0 0 151.213 1.121 10 0 ADAERN C[C@H]1C[C@H]1Cn1nccc1N 575538491 352595020 /nfs/dbraw/zinc/59/50/20/352595020.db2.gz NHPWSHUNZXMHOK-BQBZGAKWSA-N 0 0 151.213 1.121 10 0 ADAERN C[C@@H]1C[C@H]1Cn1nccc1N 575538497 352595139 /nfs/dbraw/zinc/59/51/39/352595139.db2.gz NHPWSHUNZXMHOK-RQJHMYQMSA-N 0 0 151.213 1.121 10 0 ADAERN C[C@@H]1C[C@H]1CNc1cnns1 575538686 352595287 /nfs/dbraw/zinc/59/52/87/352595287.db2.gz OUFVDGXCAIYODM-RITPCOANSA-N 0 0 169.253 1.606 10 0 ADAERN C[C@H]1C[C@@H]1CNc1cnns1 575538680 352595307 /nfs/dbraw/zinc/59/53/07/352595307.db2.gz OUFVDGXCAIYODM-NTSWFWBYSA-N 0 0 169.253 1.606 10 0 ADAERN Nc1ccnn1[C@H]1CCCC12CC2 575538517 352595347 /nfs/dbraw/zinc/59/53/47/352595347.db2.gz NPZXPKDTBPWHQY-QMMMGPOBSA-N 0 0 177.251 1.971 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1cnns1 575538684 352595656 /nfs/dbraw/zinc/59/56/56/352595656.db2.gz OUFVDGXCAIYODM-PHDIDXHHSA-N 0 0 169.253 1.606 10 0 ADAERN Nc1ccnn1[C@@H]1CCCC12CC2 575538516 352595671 /nfs/dbraw/zinc/59/56/71/352595671.db2.gz NPZXPKDTBPWHQY-MRVPVSSYSA-N 0 0 177.251 1.971 10 0 ADAERN C[C@H]1C[C@H]1CNc1cnns1 575538687 352596077 /nfs/dbraw/zinc/59/60/77/352596077.db2.gz OUFVDGXCAIYODM-WDSKDSINSA-N 0 0 169.253 1.606 10 0 ADAERN C[C@H](N)c1ncc([C@H]2CC23CC3)o1 575538727 352596087 /nfs/dbraw/zinc/59/60/87/352596087.db2.gz PEXPEJWFCCDHEX-NKWVEPMBSA-N 0 0 178.235 1.962 10 0 ADAERN CC1(C)CCN1c1cncc(N)c1 575538783 352596144 /nfs/dbraw/zinc/59/61/44/352596144.db2.gz PUYBRAMJGXLBNN-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@@H](N)c1ncc([C@@H]2CC23CC3)o1 575538730 352596157 /nfs/dbraw/zinc/59/61/57/352596157.db2.gz PEXPEJWFCCDHEX-RQJHMYQMSA-N 0 0 178.235 1.962 10 0 ADAERN C[C@@H](N)c1ncc([C@H]2CC23CC3)o1 575538729 352596381 /nfs/dbraw/zinc/59/63/81/352596381.db2.gz PEXPEJWFCCDHEX-RNFRBKRXSA-N 0 0 178.235 1.962 10 0 ADAERN Nc1ncc(-c2cscn2)cc1F 575538745 352596409 /nfs/dbraw/zinc/59/64/09/352596409.db2.gz UNAPKZCLEJWSRI-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN C[C@H](N)c1ncc([C@@H]2CC23CC3)o1 575538722 352596416 /nfs/dbraw/zinc/59/64/16/352596416.db2.gz PEXPEJWFCCDHEX-BQBZGAKWSA-N 0 0 178.235 1.962 10 0 ADAERN Cc1c(N)nsc1N1CC[C@H]2C[C@H]21 575539013 352596696 /nfs/dbraw/zinc/59/66/96/352596696.db2.gz SEBYRRDLHLENDP-NKWVEPMBSA-N 0 0 195.291 1.632 10 0 ADAERN C[C@H]1CCN1C(=O)c1occc1N 575538904 352597104 /nfs/dbraw/zinc/59/71/04/352597104.db2.gz QTAHJJJLFWWKDX-LURJTMIESA-N 0 0 180.207 1.096 10 0 ADAERN CC1(C)CCN1c1cc(N)ncn1 575538938 352596870 /nfs/dbraw/zinc/59/68/70/352596870.db2.gz RHUYDOYCYVPBPN-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN C[C@@H]1CCN1C(=O)c1occc1N 575538905 352596879 /nfs/dbraw/zinc/59/68/79/352596879.db2.gz QTAHJJJLFWWKDX-ZCFIWIBFSA-N 0 0 180.207 1.096 10 0 ADAERN c1nnsc1NC[C@@H]1CC12CC2 575539123 352597544 /nfs/dbraw/zinc/59/75/44/352597544.db2.gz STGJYVDWKTWGCD-LURJTMIESA-N 0 0 181.264 1.750 10 0 ADAERN c1nnsc1NC[C@H]1CC12CC2 575539124 352597735 /nfs/dbraw/zinc/59/77/35/352597735.db2.gz STGJYVDWKTWGCD-ZCFIWIBFSA-N 0 0 181.264 1.750 10 0 ADAERN Cc1c(N)nsc1N1CC[C@@H]2C[C@@H]21 575539018 352597866 /nfs/dbraw/zinc/59/78/66/352597866.db2.gz SEBYRRDLHLENDP-RQJHMYQMSA-N 0 0 195.291 1.632 10 0 ADAERN Nc1ccc(N2CC[C@@H]3C[C@@H]32)nc1 575539146 352598329 /nfs/dbraw/zinc/59/83/29/352598329.db2.gz TUMNTAPRPUHRMV-APPZFPTMSA-N 0 0 175.235 1.262 10 0 ADAERN Cc1cnn(C[C@@H]2C[C@@H]2C)c1N 575539229 352598338 /nfs/dbraw/zinc/59/83/38/352598338.db2.gz UTVOSAOCMUMPAL-XPUUQOCRSA-N 0 0 165.240 1.430 10 0 ADAERN Nc1ccc(N2CC[C@H]3C[C@H]32)nc1 575539152 352598385 /nfs/dbraw/zinc/59/83/85/352598385.db2.gz TUMNTAPRPUHRMV-IONNQARKSA-N 0 0 175.235 1.262 10 0 ADAERN Cc1cnn(C[C@@H]2CC23CC3)c1N 575539250 352598567 /nfs/dbraw/zinc/59/85/67/352598567.db2.gz UZPDWEWARFTCDZ-QMMMGPOBSA-N 0 0 177.251 1.574 10 0 ADAERN Cc1cnn(C[C@H]2C[C@@H]2C)c1N 575539227 352598608 /nfs/dbraw/zinc/59/86/08/352598608.db2.gz UTVOSAOCMUMPAL-POYBYMJQSA-N 0 0 165.240 1.430 10 0 ADAERN Nc1ccnn1C[C@H]1CC12CC2 575539202 352598622 /nfs/dbraw/zinc/59/86/22/352598622.db2.gz UKFKJKSCJXEVNK-SSDOTTSWSA-N 0 0 163.224 1.265 10 0 ADAERN Cc1cocc1-c1nnc(CN)s1 575539191 352598624 /nfs/dbraw/zinc/59/86/24/352598624.db2.gz UCWUANRCTGIJJA-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN Nc1ccnn1C[C@@H]1CC12CC2 575539203 352598661 /nfs/dbraw/zinc/59/86/61/352598661.db2.gz UKFKJKSCJXEVNK-ZETCQYMHSA-N 0 0 163.224 1.265 10 0 ADAERN Cc1cnn(C[C@@H]2C[C@H]2C)c1N 575539228 352598680 /nfs/dbraw/zinc/59/86/80/352598680.db2.gz UTVOSAOCMUMPAL-SVRRBLITSA-N 0 0 165.240 1.430 10 0 ADAERN Cc1cnn(C[C@H]2C[C@H]2C)c1N 575539226 352598689 /nfs/dbraw/zinc/59/86/89/352598689.db2.gz UTVOSAOCMUMPAL-HTRCEHHLSA-N 0 0 165.240 1.430 10 0 ADAERN Cc1cnn(C[C@H]2CC23CC3)c1N 575539248 352598698 /nfs/dbraw/zinc/59/86/98/352598698.db2.gz UZPDWEWARFTCDZ-MRVPVSSYSA-N 0 0 177.251 1.574 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1ccc[nH]1 575539565 352599794 /nfs/dbraw/zinc/59/97/94/352599794.db2.gz ZKVXJYOXOODHSJ-YUMQZZPRSA-N 0 0 179.219 1.480 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1ccc[nH]1 575539564 352599963 /nfs/dbraw/zinc/59/99/63/352599963.db2.gz ZKVXJYOXOODHSJ-SFYZADRCSA-N 0 0 179.219 1.480 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1ccc[nH]1 575539563 352599965 /nfs/dbraw/zinc/59/99/65/352599965.db2.gz ZKVXJYOXOODHSJ-JGVFFNPUSA-N 0 0 179.219 1.480 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1ccc[nH]1 575539562 352600005 /nfs/dbraw/zinc/60/00/05/352600005.db2.gz ZKVXJYOXOODHSJ-HTQZYQBOSA-N 0 0 179.219 1.480 10 0 ADAERN NCc1ncc([C@@H]2CC23CC3)o1 575539518 352600027 /nfs/dbraw/zinc/60/00/27/352600027.db2.gz XRRONRQFRHQMSD-LURJTMIESA-N 0 0 164.208 1.401 10 0 ADAERN Nc1ncc(-c2ccsn2)cc1F 575539464 352600041 /nfs/dbraw/zinc/60/00/41/352600041.db2.gz YMMWGTJXYUSIJD-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN NCc1ncc([C@H]2CC23CC3)o1 575539522 352600050 /nfs/dbraw/zinc/60/00/50/352600050.db2.gz XRRONRQFRHQMSD-ZCFIWIBFSA-N 0 0 164.208 1.401 10 0 ADAERN C[C@H](CF)Nc1cc(F)ncn1 575539513 352600069 /nfs/dbraw/zinc/60/00/69/352600069.db2.gz YWNSVGGDOHBBMW-RXMQYKEDSA-N 0 0 173.166 1.386 10 0 ADAERN C[C@@H](CF)Nc1cc(F)ncn1 575539514 352600088 /nfs/dbraw/zinc/60/00/88/352600088.db2.gz YWNSVGGDOHBBMW-YFKPBYRVSA-N 0 0 173.166 1.386 10 0 ADAERN C[C@H]1C[C@@H]1CNc1cn[nH]c1 575539666 352600494 /nfs/dbraw/zinc/60/04/94/352600494.db2.gz ZCOVRKAXIWOHKY-NKWVEPMBSA-N 0 0 151.213 1.478 10 0 ADAERN Cc1cc(N)n(C[C@H]2C[C@H]2C)n1 575539615 352600507 /nfs/dbraw/zinc/60/05/07/352600507.db2.gz YGBQANULNWIRJX-HTRCEHHLSA-N 0 0 165.240 1.430 10 0 ADAERN C[C@@H]1C[C@@H]1Cn1ncc(Cl)c1N 575539679 352600535 /nfs/dbraw/zinc/60/05/35/352600535.db2.gz ZFHLQPGHLQAGIV-PHDIDXHHSA-N 0 0 185.658 1.775 10 0 ADAERN NCc1nnc([C@@H]2CC23CC3)s1 575539628 352600574 /nfs/dbraw/zinc/60/05/74/352600574.db2.gz YHKUFGGWVGRZKB-YFKPBYRVSA-N 0 0 181.264 1.264 10 0 ADAERN Cc1cc(N)n(C[C@@H]2C[C@H]2C)n1 575539617 352600660 /nfs/dbraw/zinc/60/06/60/352600660.db2.gz YGBQANULNWIRJX-SVRRBLITSA-N 0 0 165.240 1.430 10 0 ADAERN NCc1nnc([C@H]2CC23CC3)s1 575539627 352600676 /nfs/dbraw/zinc/60/06/76/352600676.db2.gz YHKUFGGWVGRZKB-RXMQYKEDSA-N 0 0 181.264 1.264 10 0 ADAERN C[C@@H]1C[C@H]1CNc1cn[nH]c1 575539668 352600680 /nfs/dbraw/zinc/60/06/80/352600680.db2.gz ZCOVRKAXIWOHKY-RQJHMYQMSA-N 0 0 151.213 1.478 10 0 ADAERN Cc1cc(N)n(C[C@@H]2C[C@@H]2C)n1 575539618 352600684 /nfs/dbraw/zinc/60/06/84/352600684.db2.gz YGBQANULNWIRJX-XPUUQOCRSA-N 0 0 165.240 1.430 10 0 ADAERN Nc1c(Cl)cnn1C[C@@H]1CC12CC2 575539669 352600712 /nfs/dbraw/zinc/60/07/12/352600712.db2.gz ZDFASUPCTBJEGL-LURJTMIESA-N 0 0 197.669 1.919 10 0 ADAERN C[C@H]1C[C@@H]1Cn1ncc(Cl)c1N 575539678 352600719 /nfs/dbraw/zinc/60/07/19/352600719.db2.gz ZFHLQPGHLQAGIV-NTSWFWBYSA-N 0 0 185.658 1.775 10 0 ADAERN Nc1c(Cl)cnn1C[C@H]1CC12CC2 575539670 352600832 /nfs/dbraw/zinc/60/08/32/352600832.db2.gz ZDFASUPCTBJEGL-ZCFIWIBFSA-N 0 0 197.669 1.919 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1cn[nH]c1 575539667 352600840 /nfs/dbraw/zinc/60/08/40/352600840.db2.gz ZCOVRKAXIWOHKY-RNFRBKRXSA-N 0 0 151.213 1.478 10 0 ADAERN C[C@H]1C[C@H]1Cn1ncc(Cl)c1N 575539681 352600843 /nfs/dbraw/zinc/60/08/43/352600843.db2.gz ZFHLQPGHLQAGIV-WDSKDSINSA-N 0 0 185.658 1.775 10 0 ADAERN C[C@@H]1C[C@H]1Cn1ncc(Cl)c1N 575539680 352600848 /nfs/dbraw/zinc/60/08/48/352600848.db2.gz ZFHLQPGHLQAGIV-RITPCOANSA-N 0 0 185.658 1.775 10 0 ADAERN Cc1cc(N)n(C[C@H]2C[C@@H]2C)n1 575539616 352600866 /nfs/dbraw/zinc/60/08/66/352600866.db2.gz YGBQANULNWIRJX-POYBYMJQSA-N 0 0 165.240 1.430 10 0 ADAERN C[C@H]1C[C@H]1CNc1cn[nH]c1 575539665 352600880 /nfs/dbraw/zinc/60/08/80/352600880.db2.gz ZCOVRKAXIWOHKY-BQBZGAKWSA-N 0 0 151.213 1.478 10 0 ADAERN C[C@@H]1C[C@H]1[C@H]1CC(=O)CCO1 575539717 352601356 /nfs/dbraw/zinc/60/13/56/352601356.db2.gz ZUFKYFDAKVXTAF-FTLITQJKSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H]1CC(=O)CCO1 575539718 352601414 /nfs/dbraw/zinc/60/14/14/352601414.db2.gz ZUFKYFDAKVXTAF-VDAHYXPESA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1CC(=O)CCO1 575539716 352601448 /nfs/dbraw/zinc/60/14/48/352601448.db2.gz ZUFKYFDAKVXTAF-BWVDBABLSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1CC(=O)CCO1 575539719 352601489 /nfs/dbraw/zinc/60/14/89/352601489.db2.gz ZUFKYFDAKVXTAF-YEPSODPASA-N 0 0 154.209 1.391 10 0 ADAERN Cc1ncc(NC[C@H]2C[C@H]2C)cn1 575539985 352601949 /nfs/dbraw/zinc/60/19/49/352601949.db2.gz AYZNQXPPLWOOQH-VXNVDRBHSA-N 0 0 177.251 1.853 10 0 ADAERN Cc1ncc(NC[C@@H]2C[C@H]2C)cn1 575539972 352601988 /nfs/dbraw/zinc/60/19/88/352601988.db2.gz AYZNQXPPLWOOQH-APPZFPTMSA-N 0 0 177.251 1.853 10 0 ADAERN Cc1ncc(NC[C@@H]2C[C@@H]2C)cn1 575539980 352602135 /nfs/dbraw/zinc/60/21/35/352602135.db2.gz AYZNQXPPLWOOQH-CBAPKCEASA-N 0 0 177.251 1.853 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1ccccc1F 575540121 352602180 /nfs/dbraw/zinc/60/21/80/352602180.db2.gz CATVNHSDJWNTDF-NXEZZACHSA-N 0 0 181.210 1.761 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccccc1F 575540123 352602211 /nfs/dbraw/zinc/60/22/11/352602211.db2.gz CATVNHSDJWNTDF-VHSXEESVSA-N 0 0 181.210 1.761 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccccc1F 575540124 352602327 /nfs/dbraw/zinc/60/23/27/352602327.db2.gz CATVNHSDJWNTDF-ZJUUUORDSA-N 0 0 181.210 1.761 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccccc1F 575540122 352602365 /nfs/dbraw/zinc/60/23/65/352602365.db2.gz CATVNHSDJWNTDF-UWVGGRQHSA-N 0 0 181.210 1.761 10 0 ADAERN Cc1ncc(NC[C@H]2C[C@@H]2C)cn1 575539982 352602366 /nfs/dbraw/zinc/60/23/66/352602366.db2.gz AYZNQXPPLWOOQH-IONNQARKSA-N 0 0 177.251 1.853 10 0 ADAERN O=C1CO[C@H]([C@@H]2CC[C@H]3C[C@H]3C2)C1 575540166 352603049 /nfs/dbraw/zinc/60/30/49/352603049.db2.gz CYDZCFHLJUDMFU-DKIAZLNASA-N 0 0 180.247 1.781 10 0 ADAERN Cc1nc(=N[C@@]2(C)CC2(C)C)s[n-]1 575540173 352602913 /nfs/dbraw/zinc/60/29/13/352602913.db2.gz CYGVJKPOAJZVNK-VIFPVBQESA-N 0 0 197.307 1.869 10 0 ADAERN Cc1nc(=N[C@]2(C)CC2(C)C)s[n-]1 575540169 352602973 /nfs/dbraw/zinc/60/29/73/352602973.db2.gz CYGVJKPOAJZVNK-SECBINFHSA-N 0 0 197.307 1.869 10 0 ADAERN O=C1CO[C@H]([C@@H]2CC[C@@H]3C[C@@H]3C2)C1 575540165 352603044 /nfs/dbraw/zinc/60/30/44/352603044.db2.gz CYDZCFHLJUDMFU-CDLYGTGVSA-N 0 0 180.247 1.781 10 0 ADAERN Cn1cc(N[C@H]2CCCSC2)nn1 575540356 352603365 /nfs/dbraw/zinc/60/33/65/352603365.db2.gz AFUSQSIINABYPK-ZETCQYMHSA-N 0 0 198.295 1.123 10 0 ADAERN Cn1cc(N[C@@H]2CCCSC2)nn1 575540355 352603392 /nfs/dbraw/zinc/60/33/92/352603392.db2.gz AFUSQSIINABYPK-SSDOTTSWSA-N 0 0 198.295 1.123 10 0 ADAERN C[C@@H]1C[C@H]1c1nccnc1N 575540346 352603441 /nfs/dbraw/zinc/60/34/41/352603441.db2.gz ABQNWFWIGJVDTE-PHDIDXHHSA-N 0 0 149.197 1.182 10 0 ADAERN C[C@H]1C[C@@H]1c1nccnc1N 575540348 352603462 /nfs/dbraw/zinc/60/34/62/352603462.db2.gz ABQNWFWIGJVDTE-WDSKDSINSA-N 0 0 149.197 1.182 10 0 ADAERN C[C@@H]1C[C@@H]1c1nccnc1N 575540347 352603554 /nfs/dbraw/zinc/60/35/54/352603554.db2.gz ABQNWFWIGJVDTE-RITPCOANSA-N 0 0 149.197 1.182 10 0 ADAERN Cn1cnc(-c2cncc(=S)[nH]2)c1 575540400 352603556 /nfs/dbraw/zinc/60/35/56/352603556.db2.gz AVWJQZOZFPTKMW-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN C[C@H]1C[C@H]1c1nccnc1N 575540345 352603763 /nfs/dbraw/zinc/60/37/63/352603763.db2.gz ABQNWFWIGJVDTE-NTSWFWBYSA-N 0 0 149.197 1.182 10 0 ADAERN C[C@H]1C[C@@]1(C)Cn1c(=O)[nH][nH]c1=S 575540536 352604237 /nfs/dbraw/zinc/60/42/37/352604237.db2.gz DJYDYRJIXVZHPW-XNCJUZBTSA-N 0 0 199.279 1.319 10 0 ADAERN C[C@@H]1C[C@]1(C)Cn1c(=O)[nH][nH]c1=S 575540505 352604282 /nfs/dbraw/zinc/60/42/82/352604282.db2.gz DJYDYRJIXVZHPW-SVGQVSJJSA-N 0 0 199.279 1.319 10 0 ADAERN C[C@@H]1C[C@@]1(C)Cn1c(=O)[nH][nH]c1=S 575540540 352604407 /nfs/dbraw/zinc/60/44/07/352604407.db2.gz DJYDYRJIXVZHPW-XRGYYRRGSA-N 0 0 199.279 1.319 10 0 ADAERN C[C@H]1C[C@]1(C)Cn1c(=O)[nH][nH]c1=S 575540545 352604432 /nfs/dbraw/zinc/60/44/32/352604432.db2.gz DJYDYRJIXVZHPW-YLWLKBPMSA-N 0 0 199.279 1.319 10 0 ADAERN CCc1nnc([C@@]23CCC[C@@H]2C3)[nH]1 575540780 352605131 /nfs/dbraw/zinc/60/51/31/352605131.db2.gz UEFHIOWBWDJAHT-GMSGAONNSA-N 0 0 177.251 1.809 10 0 ADAERN Cc1c[nH]c([C@@H](O)C(C)(C)C)n1 575540810 352604878 /nfs/dbraw/zinc/60/48/78/352604878.db2.gz BIXAAZMDPUAVLW-SSDOTTSWSA-N 0 0 168.240 1.798 10 0 ADAERN CCc1c[nH]c(N2C[C@H](C)[C@@H]2C)n1 575540779 352604917 /nfs/dbraw/zinc/60/49/17/352604917.db2.gz TVNYJSJFUBOLRX-YUMQZZPRSA-N 0 0 179.267 1.817 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CCC[C@H]2C[C@H]21 575540821 352604961 /nfs/dbraw/zinc/60/49/61/352604961.db2.gz ZMSYVUWMUDQTCK-DJLDLDEBSA-N 0 0 178.235 1.950 10 0 ADAERN Cc1c[nH]c([C@H](O)C(C)(C)C)n1 575540811 352604966 /nfs/dbraw/zinc/60/49/66/352604966.db2.gz BIXAAZMDPUAVLW-ZETCQYMHSA-N 0 0 168.240 1.798 10 0 ADAERN CCc1c[nH]c(N2C[C@H](C)[C@H]2C)n1 575540777 352604983 /nfs/dbraw/zinc/60/49/83/352604983.db2.gz TVNYJSJFUBOLRX-JGVFFNPUSA-N 0 0 179.267 1.817 10 0 ADAERN CCC1CN(c2ncc[nH]2)C1 575540842 352605010 /nfs/dbraw/zinc/60/50/10/352605010.db2.gz DOYQXOMNKPTLLG-UHFFFAOYSA-N 0 0 151.213 1.256 10 0 ADAERN S=c1[nH]nc([C@@H]2C[C@@H]3C[C@@H]3C2)[nH]1 575540746 352605016 /nfs/dbraw/zinc/60/50/16/352605016.db2.gz OHMUSMVBVMDSEK-FMCRUOTFSA-N 0 0 181.264 1.607 10 0 ADAERN Clc1n[nH]c([C@H]2CCCCO2)n1 575540744 352605054 /nfs/dbraw/zinc/60/50/54/352605054.db2.gz OCFDKLCHXLPNLZ-RXMQYKEDSA-N 0 0 187.630 1.700 10 0 ADAERN CCc1c[nH]c(N2C[C@@H](C)[C@@H]2C)n1 575540778 352605074 /nfs/dbraw/zinc/60/50/74/352605074.db2.gz TVNYJSJFUBOLRX-SFYZADRCSA-N 0 0 179.267 1.817 10 0 ADAERN CCc1c[nH]c(N2C[C@@H](C)[C@H]2C)n1 575540774 352605091 /nfs/dbraw/zinc/60/50/91/352605091.db2.gz TVNYJSJFUBOLRX-HTQZYQBOSA-N 0 0 179.267 1.817 10 0 ADAERN Clc1n[nH]c([C@@H]2CCCCO2)n1 575540745 352605099 /nfs/dbraw/zinc/60/50/99/352605099.db2.gz OCFDKLCHXLPNLZ-YFKPBYRVSA-N 0 0 187.630 1.700 10 0 ADAERN Cc1ncc([C@H](O)c2ncc[nH]2)s1 575540699 352605138 /nfs/dbraw/zinc/60/51/38/352605138.db2.gz IGJYSQSLJLYUAN-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1cnc(-c2nc(C)c[nH]2)cn1 575540714 352605140 /nfs/dbraw/zinc/60/51/40/352605140.db2.gz JCXDVKPCJSLBOZ-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN CCc1nnc([C@]23CCC[C@H]2C3)[nH]1 575540783 352605177 /nfs/dbraw/zinc/60/51/77/352605177.db2.gz UEFHIOWBWDJAHT-XVKPBYJWSA-N 0 0 177.251 1.809 10 0 ADAERN O=c1[nH]ccn1[C@@H]1CCC[C@@H]2C[C@@H]21 575540822 352605189 /nfs/dbraw/zinc/60/51/89/352605189.db2.gz ZMSYVUWMUDQTCK-HRDYMLBCSA-N 0 0 178.235 1.950 10 0 ADAERN Cc1ncc([C@@H](O)c2ncc[nH]2)s1 575540695 352605241 /nfs/dbraw/zinc/60/52/41/352605241.db2.gz IGJYSQSLJLYUAN-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccc(F)cc1 575540997 352605511 /nfs/dbraw/zinc/60/55/11/352605511.db2.gz HWQFHXVNJJPXBE-VHSXEESVSA-N 0 0 181.210 1.761 10 0 ADAERN C[C@H]1C[C@@]1(C)n1cc[nH]c1=O 575540893 352605515 /nfs/dbraw/zinc/60/55/15/352605515.db2.gz HERQQWFVYSUNLK-POYBYMJQSA-N 0 0 152.197 1.344 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccc(F)cc1 575541002 352605536 /nfs/dbraw/zinc/60/55/36/352605536.db2.gz HWQFHXVNJJPXBE-ZJUUUORDSA-N 0 0 181.210 1.761 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1ccc(F)cc1 575540993 352605551 /nfs/dbraw/zinc/60/55/51/352605551.db2.gz HWQFHXVNJJPXBE-NXEZZACHSA-N 0 0 181.210 1.761 10 0 ADAERN C[C@H]1C[C@]1(C)n1cc[nH]c1=O 575540897 352605606 /nfs/dbraw/zinc/60/56/06/352605606.db2.gz HERQQWFVYSUNLK-XPUUQOCRSA-N 0 0 152.197 1.344 10 0 ADAERN CC1(C)C[C@@]1(C)n1cc[nH]c1=O 575540972 352605642 /nfs/dbraw/zinc/60/56/42/352605642.db2.gz JQLXHEFGYXCQJM-SECBINFHSA-N 0 0 166.224 1.734 10 0 ADAERN CCC[C@H]1COC[C@@]12CO2 575540944 352605681 /nfs/dbraw/zinc/60/56/81/352605681.db2.gz IYBFGRDSPRRUTO-JGVFFNPUSA-N 0 0 142.198 1.202 10 0 ADAERN C[C@@H]1C[C@]1(C)n1cc[nH]c1=O 575540895 352605699 /nfs/dbraw/zinc/60/56/99/352605699.db2.gz HERQQWFVYSUNLK-SVRRBLITSA-N 0 0 152.197 1.344 10 0 ADAERN CCC[C@@H]1COC[C@]12CO2 575540946 352605792 /nfs/dbraw/zinc/60/57/92/352605792.db2.gz IYBFGRDSPRRUTO-SFYZADRCSA-N 0 0 142.198 1.202 10 0 ADAERN CCC[C@@H]1COC[C@@]12CO2 575540942 352605796 /nfs/dbraw/zinc/60/57/96/352605796.db2.gz IYBFGRDSPRRUTO-HTQZYQBOSA-N 0 0 142.198 1.202 10 0 ADAERN CCC[C@H]1COC[C@]12CO2 575540948 352605828 /nfs/dbraw/zinc/60/58/28/352605828.db2.gz IYBFGRDSPRRUTO-YUMQZZPRSA-N 0 0 142.198 1.202 10 0 ADAERN CC1(C)C[C@]1(C)n1cc[nH]c1=O 575540979 352605832 /nfs/dbraw/zinc/60/58/32/352605832.db2.gz JQLXHEFGYXCQJM-VIFPVBQESA-N 0 0 166.224 1.734 10 0 ADAERN CC(F)(F)CNC1(C)CC1 575541018 352605837 /nfs/dbraw/zinc/60/58/37/352605837.db2.gz CQYCFFUCVVPUAV-UHFFFAOYSA-N 0 0 149.184 1.784 10 0 ADAERN C[C@@H]1C[C@@]1(C)n1cc[nH]c1=O 575540891 352605857 /nfs/dbraw/zinc/60/58/57/352605857.db2.gz HERQQWFVYSUNLK-HTRCEHHLSA-N 0 0 152.197 1.344 10 0 ADAERN Cc1nc(C2CC(C)C2)n[nH]1 575540902 352605909 /nfs/dbraw/zinc/60/59/09/352605909.db2.gz HGXGTSXHTCWQFJ-UHFFFAOYSA-N 0 0 151.213 1.627 10 0 ADAERN C[C@@H]1CN(c2cc(N)ns2)[C@@H]1C 575541041 352606172 /nfs/dbraw/zinc/60/61/72/352606172.db2.gz CZFSJVCVIODJTK-PHDIDXHHSA-N 0 0 183.280 1.570 10 0 ADAERN Nc1cncc(N2CC[C@H]3C[C@H]32)c1 575541119 352606186 /nfs/dbraw/zinc/60/61/86/352606186.db2.gz AUDYFQAEDKPMPT-OIBJUYFYSA-N 0 0 175.235 1.262 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccsc1 575541033 352606197 /nfs/dbraw/zinc/60/61/97/352606197.db2.gz HZTXLIZJYABKEA-JGVFFNPUSA-N 0 0 169.249 1.683 10 0 ADAERN Cc1nccnc1[C@@H]1NCCS1 575541037 352606249 /nfs/dbraw/zinc/60/62/49/352606249.db2.gz IATQVWIAHFPRRG-MRVPVSSYSA-N 0 0 181.264 1.120 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cc(N)ns1 575541043 352606272 /nfs/dbraw/zinc/60/62/72/352606272.db2.gz CZFSJVCVIODJTK-RITPCOANSA-N 0 0 183.280 1.570 10 0 ADAERN C[C@H]1CN(c2cc(N)ns2)[C@@H]1C 575541039 352606412 /nfs/dbraw/zinc/60/64/12/352606412.db2.gz CZFSJVCVIODJTK-NTSWFWBYSA-N 0 0 183.280 1.570 10 0 ADAERN C[C@H]1CN[C@@H](c2cnccn2)S1 575541084 352606301 /nfs/dbraw/zinc/60/63/01/352606301.db2.gz IFJAGZOVPKJCFL-POYBYMJQSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@@H]1CN[C@H](c2cnccn2)S1 575541085 352606310 /nfs/dbraw/zinc/60/63/10/352606310.db2.gz IFJAGZOVPKJCFL-SVRRBLITSA-N 0 0 181.264 1.200 10 0 ADAERN Cc1nccnc1[C@H]1NCCS1 575541040 352606345 /nfs/dbraw/zinc/60/63/45/352606345.db2.gz IATQVWIAHFPRRG-QMMMGPOBSA-N 0 0 181.264 1.120 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1ccsc1 575541025 352606359 /nfs/dbraw/zinc/60/63/59/352606359.db2.gz HZTXLIZJYABKEA-HTQZYQBOSA-N 0 0 169.249 1.683 10 0 ADAERN Nc1nccnc1[C@@H]1CC12CC2 575541061 352606364 /nfs/dbraw/zinc/60/63/64/352606364.db2.gz DDZOALGDLOGKRR-LURJTMIESA-N 0 0 161.208 1.326 10 0 ADAERN Nc1cncc(N2CC[C@@H]3C[C@@H]32)c1 575541121 352606368 /nfs/dbraw/zinc/60/63/68/352606368.db2.gz AUDYFQAEDKPMPT-XCBNKYQSSA-N 0 0 175.235 1.262 10 0 ADAERN Nc1nccnc1[C@H]1CC12CC2 575541062 352606394 /nfs/dbraw/zinc/60/63/94/352606394.db2.gz DDZOALGDLOGKRR-ZCFIWIBFSA-N 0 0 161.208 1.326 10 0 ADAERN C[C@@H]1CN[C@@H](c2cnccn2)S1 575541076 352606438 /nfs/dbraw/zinc/60/64/38/352606438.db2.gz IFJAGZOVPKJCFL-HTRCEHHLSA-N 0 0 181.264 1.200 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccsc1 575541035 352606502 /nfs/dbraw/zinc/60/65/02/352606502.db2.gz HZTXLIZJYABKEA-SFYZADRCSA-N 0 0 169.249 1.683 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccsc1 575541036 352606594 /nfs/dbraw/zinc/60/65/94/352606594.db2.gz HZTXLIZJYABKEA-YUMQZZPRSA-N 0 0 169.249 1.683 10 0 ADAERN C[C@H]1CN[C@H](c2cnccn2)S1 575541086 352606598 /nfs/dbraw/zinc/60/65/98/352606598.db2.gz IFJAGZOVPKJCFL-XPUUQOCRSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@H]1CN(c2cc(N)ns2)[C@H]1C 575541045 352606663 /nfs/dbraw/zinc/60/66/63/352606663.db2.gz CZFSJVCVIODJTK-WDSKDSINSA-N 0 0 183.280 1.570 10 0 ADAERN C[C@@H]1CN(c2cncc(N)c2)[C@@H]1C 575541265 352606959 /nfs/dbraw/zinc/60/69/59/352606959.db2.gz DYXZHRVOPOBNHK-HTQZYQBOSA-N 0 0 177.251 1.508 10 0 ADAERN Cc1cscc1N[C@@H]1CC[C@@H]1O 575541252 352606973 /nfs/dbraw/zinc/60/69/73/352606973.db2.gz JKSNTSPYWMOHRC-APPZFPTMSA-N 0 0 183.276 1.992 10 0 ADAERN Cc1cscc1N[C@H]1CC[C@H]1O 575541259 352606998 /nfs/dbraw/zinc/60/69/98/352606998.db2.gz JKSNTSPYWMOHRC-IONNQARKSA-N 0 0 183.276 1.992 10 0 ADAERN C[C@H]1CN(c2cncc(N)c2)[C@@H]1C 575541266 352607021 /nfs/dbraw/zinc/60/70/21/352607021.db2.gz DYXZHRVOPOBNHK-JGVFFNPUSA-N 0 0 177.251 1.508 10 0 ADAERN Cc1cscc1N[C@H]1CC[C@@H]1O 575541254 352607158 /nfs/dbraw/zinc/60/71/58/352607158.db2.gz JKSNTSPYWMOHRC-CBAPKCEASA-N 0 0 183.276 1.992 10 0 ADAERN Cc1cscc1N[C@@H]1CC[C@H]1O 575541267 352607164 /nfs/dbraw/zinc/60/71/64/352607164.db2.gz JKSNTSPYWMOHRC-VXNVDRBHSA-N 0 0 183.276 1.992 10 0 ADAERN C[C@H]1CN(c2cncc(N)c2)[C@H]1C 575541271 352607182 /nfs/dbraw/zinc/60/71/82/352607182.db2.gz DYXZHRVOPOBNHK-YUMQZZPRSA-N 0 0 177.251 1.508 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cncc(N)c1 575541269 352607310 /nfs/dbraw/zinc/60/73/10/352607310.db2.gz DYXZHRVOPOBNHK-SFYZADRCSA-N 0 0 177.251 1.508 10 0 ADAERN C[C@H]1CCN[C@H](c2cnccn2)S1 575541394 352607648 /nfs/dbraw/zinc/60/76/48/352607648.db2.gz JZJZZHHFHWYWII-CBAPKCEASA-N 0 0 195.291 1.590 10 0 ADAERN Cn1cc(NC[C@@H]2CC23CC3)nn1 575541485 352607739 /nfs/dbraw/zinc/60/77/39/352607739.db2.gz HDQKFAAKVCOZMZ-ZETCQYMHSA-N 0 0 178.239 1.027 10 0 ADAERN C[C@H]1CCN[C@@H](c2cnccn2)S1 575541397 352607856 /nfs/dbraw/zinc/60/78/56/352607856.db2.gz JZJZZHHFHWYWII-IONNQARKSA-N 0 0 195.291 1.590 10 0 ADAERN Cn1cc(NC[C@H]2CC23CC3)nn1 575541484 352607862 /nfs/dbraw/zinc/60/78/62/352607862.db2.gz HDQKFAAKVCOZMZ-SSDOTTSWSA-N 0 0 178.239 1.027 10 0 ADAERN Cc1ccc([C@@H](O)c2ccco2)[nH]1 575541524 352607877 /nfs/dbraw/zinc/60/78/77/352607877.db2.gz DQZMAYMAOVUMPP-SNVBAGLBSA-N 0 0 177.203 1.998 10 0 ADAERN C[C@@H]1CCN[C@@H](c2cnccn2)S1 575541399 352607995 /nfs/dbraw/zinc/60/79/95/352607995.db2.gz JZJZZHHFHWYWII-VXNVDRBHSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1cn(CC(C)C)c(=O)[nH]1 575541478 352608031 /nfs/dbraw/zinc/60/80/31/352608031.db2.gz NJIKNPOLTTWLDS-UHFFFAOYSA-N 0 0 154.213 1.553 10 0 ADAERN C[C@@H]1CCN[C@H](c2cnccn2)S1 575541392 352608038 /nfs/dbraw/zinc/60/80/38/352608038.db2.gz JZJZZHHFHWYWII-APPZFPTMSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1ccc([C@H](O)c2ccco2)[nH]1 575541521 352608045 /nfs/dbraw/zinc/60/80/45/352608045.db2.gz DQZMAYMAOVUMPP-JTQLQIEISA-N 0 0 177.203 1.998 10 0 ADAERN C[C@H]1CCS[C@@H](c2cnccn2)N1 575541732 352608233 /nfs/dbraw/zinc/60/82/33/352608233.db2.gz KUTZPXGGRLIJES-CBAPKCEASA-N 0 0 195.291 1.590 10 0 ADAERN C[C@H]1C[C@]1(C)c1n[nH]c(=S)[nH]1 575541671 352608381 /nfs/dbraw/zinc/60/83/81/352608381.db2.gz VJJGAHCXFXTBLL-FFWSUHOLSA-N 0 0 169.253 1.391 10 0 ADAERN O[C@@H]1CC[C@H]1N[C@@H]1CCCC1(F)F 575541735 352608406 /nfs/dbraw/zinc/60/84/06/352608406.db2.gz KWLYNYKFKWYDSP-BWZBUEFSSA-N 0 0 191.221 1.287 10 0 ADAERN Cc1nc([C@H](O)C(C)C)[nH]c1C 575541625 352608443 /nfs/dbraw/zinc/60/84/43/352608443.db2.gz RZZPJWIUDBDOLA-MRVPVSSYSA-N 0 0 168.240 1.716 10 0 ADAERN Cc1nc([C@@H](O)C(C)C)[nH]c1C 575541627 352608453 /nfs/dbraw/zinc/60/84/53/352608453.db2.gz RZZPJWIUDBDOLA-QMMMGPOBSA-N 0 0 168.240 1.716 10 0 ADAERN C[C@H]1CCS[C@H](c2cnccn2)N1 575541733 352608468 /nfs/dbraw/zinc/60/84/68/352608468.db2.gz KUTZPXGGRLIJES-IONNQARKSA-N 0 0 195.291 1.590 10 0 ADAERN c1ncc(NC[C@H]2CC23CC3)cn1 575541966 352609543 /nfs/dbraw/zinc/60/95/43/352609543.db2.gz KBYKREVBWHFVDN-MRVPVSSYSA-N 0 0 175.235 1.689 10 0 ADAERN C[C@@H]1C[C@]1(C)c1n[nH]c(=S)[nH]1 575541670 352608515 /nfs/dbraw/zinc/60/85/15/352608515.db2.gz VJJGAHCXFXTBLL-FBCQKBJTSA-N 0 0 169.253 1.391 10 0 ADAERN C[C@H]1C[C@@]1(C)c1n[nH]c(=S)[nH]1 575541672 352608529 /nfs/dbraw/zinc/60/85/29/352608529.db2.gz VJJGAHCXFXTBLL-MHTLYPKNSA-N 0 0 169.253 1.391 10 0 ADAERN C[C@@H]1CCS[C@H](c2cnccn2)N1 575541734 352608572 /nfs/dbraw/zinc/60/85/72/352608572.db2.gz KUTZPXGGRLIJES-VXNVDRBHSA-N 0 0 195.291 1.590 10 0 ADAERN O=c1ncc2c([nH]1)CCC1(CC1)C2 575541626 352608583 /nfs/dbraw/zinc/60/85/83/352608583.db2.gz HFALABZGHAOMEG-UHFFFAOYSA-N 0 0 176.219 1.451 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1n[nH]c(=S)[nH]1 575541669 352608603 /nfs/dbraw/zinc/60/86/03/352608603.db2.gz VJJGAHCXFXTBLL-CLZZGJSISA-N 0 0 169.253 1.391 10 0 ADAERN O[C@@H]1CC[C@@H]1N[C@H]1CCCC1(F)F 575541737 352608634 /nfs/dbraw/zinc/60/86/34/352608634.db2.gz KWLYNYKFKWYDSP-RNJXMRFFSA-N 0 0 191.221 1.287 10 0 ADAERN O[C@@H]1CC[C@@H]1N[C@@H]1CCCC1(F)F 575541738 352608639 /nfs/dbraw/zinc/60/86/39/352608639.db2.gz KWLYNYKFKWYDSP-XLPZGREQSA-N 0 0 191.221 1.287 10 0 ADAERN C[C@@H]1CCS[C@@H](c2cnccn2)N1 575541731 352608660 /nfs/dbraw/zinc/60/86/60/352608660.db2.gz KUTZPXGGRLIJES-APPZFPTMSA-N 0 0 195.291 1.590 10 0 ADAERN Cc1c[nH]c([C@@H](O)C(C)C)n1 575541658 352608681 /nfs/dbraw/zinc/60/86/81/352608681.db2.gz UFLPOMFXKVARTB-ZETCQYMHSA-N 0 0 154.213 1.408 10 0 ADAERN Cc1c[nH]c([C@H](O)C(C)C)n1 575541655 352608690 /nfs/dbraw/zinc/60/86/90/352608690.db2.gz UFLPOMFXKVARTB-SSDOTTSWSA-N 0 0 154.213 1.408 10 0 ADAERN O[C@@H]1CC[C@H]1N[C@H]1CCCC1(F)F 575541736 352608692 /nfs/dbraw/zinc/60/86/92/352608692.db2.gz KWLYNYKFKWYDSP-PRJMDXOYSA-N 0 0 191.221 1.287 10 0 ADAERN Cc1c(N)nsc1N1C[C@@H](C)[C@@H]1C 575541889 352608901 /nfs/dbraw/zinc/60/89/01/352608901.db2.gz IOTDPVYVGXJQMC-VDTYLAMSSA-N 0 0 197.307 1.878 10 0 ADAERN O=C1CO[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)C1 575541823 352608961 /nfs/dbraw/zinc/60/89/61/352608961.db2.gz LUABPQJZNIIVET-ODHVRURNSA-N 0 0 166.220 1.391 10 0 ADAERN O=C1CO[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)C1 575541822 352609018 /nfs/dbraw/zinc/60/90/18/352609018.db2.gz LUABPQJZNIIVET-IBCQBUCCSA-N 0 0 166.220 1.391 10 0 ADAERN CC1(C)CS[C@H](c2cnccn2)N1 575541779 352609036 /nfs/dbraw/zinc/60/90/36/352609036.db2.gz LFHQMSGQPLHUDK-MRVPVSSYSA-N 0 0 195.291 1.590 10 0 ADAERN CC1(C)CS[C@@H](c2cnccn2)N1 575541780 352609092 /nfs/dbraw/zinc/60/90/92/352609092.db2.gz LFHQMSGQPLHUDK-QMMMGPOBSA-N 0 0 195.291 1.590 10 0 ADAERN CN(C#N)Cc1ccc(O)cc1 575541758 352609117 /nfs/dbraw/zinc/60/91/17/352609117.db2.gz JSGVJCBGELCWFU-UHFFFAOYSA-N 0 0 162.192 1.305 10 0 ADAERN Cc1c(N)nsc1N1C[C@H](C)[C@@H]1C 575541887 352609125 /nfs/dbraw/zinc/60/91/25/352609125.db2.gz IOTDPVYVGXJQMC-FSPLSTOPSA-N 0 0 197.307 1.878 10 0 ADAERN Cc1c(N)nsc1N1C[C@H](C)[C@H]1C 575541886 352609169 /nfs/dbraw/zinc/60/91/69/352609169.db2.gz IOTDPVYVGXJQMC-CAHLUQPWSA-N 0 0 197.307 1.878 10 0 ADAERN Cc1c(N)nsc1N1C[C@@H](C)[C@H]1C 575541888 352609172 /nfs/dbraw/zinc/60/91/72/352609172.db2.gz IOTDPVYVGXJQMC-IYSWYEEDSA-N 0 0 197.307 1.878 10 0 ADAERN S=C1N=NCN1Cc1ccsn1 575542047 352609541 /nfs/dbraw/zinc/60/95/41/352609541.db2.gz LQGVUMBZWBKIDV-UHFFFAOYSA-N 0 0 198.276 1.072 10 0 ADAERN COc1c(N)nsc1N1CC[C@H]1C 575541998 352609676 /nfs/dbraw/zinc/60/96/76/352609676.db2.gz KHEOHDKBXGOVLI-RXMQYKEDSA-N 0 0 199.279 1.333 10 0 ADAERN COc1c(N)nsc1N1CC[C@@H]1C 575541999 352609718 /nfs/dbraw/zinc/60/97/18/352609718.db2.gz KHEOHDKBXGOVLI-YFKPBYRVSA-N 0 0 199.279 1.333 10 0 ADAERN c1ncc(NC[C@@H]2CC23CC3)cn1 575541967 352609724 /nfs/dbraw/zinc/60/97/24/352609724.db2.gz KBYKREVBWHFVDN-QMMMGPOBSA-N 0 0 175.235 1.689 10 0 ADAERN CNc1nccnc1[C@H]1CC12CC2 575542013 352609826 /nfs/dbraw/zinc/60/98/26/352609826.db2.gz KLVVNEKSCNLJQM-SSDOTTSWSA-N 0 0 175.235 1.786 10 0 ADAERN O[C@H]1CC[C@H]1Nc1cccc(F)c1 575542172 352610123 /nfs/dbraw/zinc/61/01/23/352610123.db2.gz NKOIJWBWXNUOTC-ZJUUUORDSA-N 0 0 181.210 1.761 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1cccc(F)c1 575542169 352610233 /nfs/dbraw/zinc/61/02/33/352610233.db2.gz NKOIJWBWXNUOTC-UWVGGRQHSA-N 0 0 181.210 1.761 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1cccc(F)c1 575542170 352610428 /nfs/dbraw/zinc/61/04/28/352610428.db2.gz NKOIJWBWXNUOTC-VHSXEESVSA-N 0 0 181.210 1.761 10 0 ADAERN c1n[nH]cc1NC[C@H]1C[C@@H]2C[C@@H]2C1 575542565 352610901 /nfs/dbraw/zinc/61/09/01/352610901.db2.gz PYRMMIILLXTFLY-AYMMMOKOSA-N 0 0 177.251 1.868 10 0 ADAERN Cc1cn([C@H]2COC[C@@H]2C)c(=S)[nH]1 575542652 352611427 /nfs/dbraw/zinc/61/14/27/352611427.db2.gz UNNLMLFEJNDHIH-XPUUQOCRSA-N 0 0 198.291 1.688 10 0 ADAERN Cc1cn([C@@H]2COC[C@@H]2C)c(=S)[nH]1 575542650 352611452 /nfs/dbraw/zinc/61/14/52/352611452.db2.gz UNNLMLFEJNDHIH-POYBYMJQSA-N 0 0 198.291 1.688 10 0 ADAERN CCc1nnc([C@H]2COC[C@@H]2C)[nH]1 575542676 352611466 /nfs/dbraw/zinc/61/14/66/352611466.db2.gz VFNPFHYHVLNHAI-BQBZGAKWSA-N 0 0 181.239 1.117 10 0 ADAERN Cc1ccccc1N[C@H]1CC[C@H]1O 575542577 352611480 /nfs/dbraw/zinc/61/14/80/352611480.db2.gz QDGJQYSZIWCDNJ-WDEREUQCSA-N 0 0 177.247 1.930 10 0 ADAERN Cc1ccccc1N[C@@H]1CC[C@@H]1O 575542575 352611560 /nfs/dbraw/zinc/61/15/60/352611560.db2.gz QDGJQYSZIWCDNJ-MNOVXSKESA-N 0 0 177.247 1.930 10 0 ADAERN CCc1nnc([C@@H]2COC[C@@H]2C)[nH]1 575542678 352611572 /nfs/dbraw/zinc/61/15/72/352611572.db2.gz VFNPFHYHVLNHAI-NKWVEPMBSA-N 0 0 181.239 1.117 10 0 ADAERN Cc1cn([C@H]2COC[C@H]2C)c(=S)[nH]1 575542651 352611629 /nfs/dbraw/zinc/61/16/29/352611629.db2.gz UNNLMLFEJNDHIH-SVRRBLITSA-N 0 0 198.291 1.688 10 0 ADAERN CCc1nnc([C@H]2COC[C@H]2C)[nH]1 575542683 352611633 /nfs/dbraw/zinc/61/16/33/352611633.db2.gz VFNPFHYHVLNHAI-RQJHMYQMSA-N 0 0 181.239 1.117 10 0 ADAERN CCc1nnc([C@@H]2COC[C@H]2C)[nH]1 575542681 352611647 /nfs/dbraw/zinc/61/16/47/352611647.db2.gz VFNPFHYHVLNHAI-RNFRBKRXSA-N 0 0 181.239 1.117 10 0 ADAERN Cc1cn([C@@H]2COC[C@H]2C)c(=S)[nH]1 575542649 352611660 /nfs/dbraw/zinc/61/16/60/352611660.db2.gz UNNLMLFEJNDHIH-HTRCEHHLSA-N 0 0 198.291 1.688 10 0 ADAERN CNc1nccnc1[C@@H]1CC12CC2 575542757 352611669 /nfs/dbraw/zinc/61/16/69/352611669.db2.gz KLVVNEKSCNLJQM-ZETCQYMHSA-N 0 0 175.235 1.786 10 0 ADAERN Cc1ccccc1N[C@H]1CC[C@@H]1O 575542576 352611684 /nfs/dbraw/zinc/61/16/84/352611684.db2.gz QDGJQYSZIWCDNJ-QWRGUYRKSA-N 0 0 177.247 1.930 10 0 ADAERN N[C@@H]([C@H]1CC12CC2)C(F)(F)F 575542802 352612032 /nfs/dbraw/zinc/61/20/32/352612032.db2.gz RCIVLTXZLZXSIP-UHNVWZDZSA-N 0 0 165.158 1.676 10 0 ADAERN Cc1c(N)nsc1N1CC[C@H]1C 575542903 352612084 /nfs/dbraw/zinc/61/20/84/352612084.db2.gz LUIHZAZFOKGGIC-RXMQYKEDSA-N 0 0 183.280 1.632 10 0 ADAERN C[C@@H]1CCN1c1cc(N)ns1 575542901 352612227 /nfs/dbraw/zinc/61/22/27/352612227.db2.gz LTMDXIUUHKJZLI-RXMQYKEDSA-N 0 0 169.253 1.324 10 0 ADAERN c1nnsc1NC[C@H]1C[C@@H]2C[C@@H]2C1 575542797 352612232 /nfs/dbraw/zinc/61/22/32/352612232.db2.gz QZGNPQPYLBIXOW-RNLVFQAGSA-N 0 0 195.291 1.996 10 0 ADAERN N[C@H]([C@@H]1CC12CC2)C(F)(F)F 575542799 352612276 /nfs/dbraw/zinc/61/22/76/352612276.db2.gz RCIVLTXZLZXSIP-CRCLSJGQSA-N 0 0 165.158 1.676 10 0 ADAERN N[C@@H]([C@@H]1CC12CC2)C(F)(F)F 575542803 352612306 /nfs/dbraw/zinc/61/23/06/352612306.db2.gz RCIVLTXZLZXSIP-WHFBIAKZSA-N 0 0 165.158 1.676 10 0 ADAERN Cc1c(N)nsc1N1CC[C@@H]1C 575542904 352612310 /nfs/dbraw/zinc/61/23/10/352612310.db2.gz LUIHZAZFOKGGIC-YFKPBYRVSA-N 0 0 183.280 1.632 10 0 ADAERN CC(F)(F)CNC1CC=CC1 575542918 352612344 /nfs/dbraw/zinc/61/23/44/352612344.db2.gz MCTGNCWUAIPSFJ-UHFFFAOYSA-N 0 0 161.195 1.950 10 0 ADAERN C[C@H]1CCN1c1cc(N)ns1 575542902 352612370 /nfs/dbraw/zinc/61/23/70/352612370.db2.gz LTMDXIUUHKJZLI-YFKPBYRVSA-N 0 0 169.253 1.324 10 0 ADAERN N[C@H]([C@H]1CC12CC2)C(F)(F)F 575542801 352612372 /nfs/dbraw/zinc/61/23/72/352612372.db2.gz RCIVLTXZLZXSIP-RFZPGFLSSA-N 0 0 165.158 1.676 10 0 ADAERN Cc1nccnc1[C@@H]1NCCCS1 575542927 352612699 /nfs/dbraw/zinc/61/26/99/352612699.db2.gz SHCGCQYZPUGBHU-SECBINFHSA-N 0 0 195.291 1.510 10 0 ADAERN Cc1nccnc1[C@H]1NCCCS1 575542931 352612994 /nfs/dbraw/zinc/61/29/94/352612994.db2.gz SHCGCQYZPUGBHU-VIFPVBQESA-N 0 0 195.291 1.510 10 0 ADAERN Cc1ccc(N[C@@H]2CC[C@H]2O)cc1 575543187 352613346 /nfs/dbraw/zinc/61/33/46/352613346.db2.gz UZVSNIYESOZXFB-GHMZBOCLSA-N 0 0 177.247 1.930 10 0 ADAERN Cc1ccc(N[C@H]2CC[C@@H]2O)cc1 575543189 352613398 /nfs/dbraw/zinc/61/33/98/352613398.db2.gz UZVSNIYESOZXFB-QWRGUYRKSA-N 0 0 177.247 1.930 10 0 ADAERN Cc1ccc(N[C@H]2CC[C@H]2O)cc1 575543190 352613406 /nfs/dbraw/zinc/61/34/06/352613406.db2.gz UZVSNIYESOZXFB-WDEREUQCSA-N 0 0 177.247 1.930 10 0 ADAERN C[C@H]1C[C@@H]1NCC(C)(F)F 575543152 352613464 /nfs/dbraw/zinc/61/34/64/352613464.db2.gz ODRNPSHYGRSJIH-WDSKDSINSA-N 0 0 149.184 1.640 10 0 ADAERN C[C@H]1CS[C@H](c2cnccn2)N1 575543051 352613527 /nfs/dbraw/zinc/61/35/27/352613527.db2.gz UMEMSMRFFDCWPI-POYBYMJQSA-N 0 0 181.264 1.200 10 0 ADAERN c1cnc([C@@H]2NCCCS2)cn1 575543056 352613577 /nfs/dbraw/zinc/61/35/77/352613577.db2.gz UPROYPASPULPJB-MRVPVSSYSA-N 0 0 181.264 1.202 10 0 ADAERN C[C@@H]1CS[C@H](c2cnccn2)N1 575543050 352613599 /nfs/dbraw/zinc/61/35/99/352613599.db2.gz UMEMSMRFFDCWPI-HTRCEHHLSA-N 0 0 181.264 1.200 10 0 ADAERN Cc1ccc(N[C@@H]2CC[C@@H]2O)cc1 575543188 352613607 /nfs/dbraw/zinc/61/36/07/352613607.db2.gz UZVSNIYESOZXFB-MNOVXSKESA-N 0 0 177.247 1.930 10 0 ADAERN C[C@H]1C[C@H]1NCC(C)(F)F 575543149 352613627 /nfs/dbraw/zinc/61/36/27/352613627.db2.gz ODRNPSHYGRSJIH-NTSWFWBYSA-N 0 0 149.184 1.640 10 0 ADAERN C[C@H]1CS[C@@H](c2cnccn2)N1 575543053 352613639 /nfs/dbraw/zinc/61/36/39/352613639.db2.gz UMEMSMRFFDCWPI-XPUUQOCRSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@@H]1C[C@H]1NCC(C)(F)F 575543150 352613668 /nfs/dbraw/zinc/61/36/68/352613668.db2.gz ODRNPSHYGRSJIH-PHDIDXHHSA-N 0 0 149.184 1.640 10 0 ADAERN c1cnc([C@H]2NCCCS2)cn1 575543057 352613744 /nfs/dbraw/zinc/61/37/44/352613744.db2.gz UPROYPASPULPJB-QMMMGPOBSA-N 0 0 181.264 1.202 10 0 ADAERN C[C@@H]1C[C@@H]1NCC(C)(F)F 575543151 352613777 /nfs/dbraw/zinc/61/37/77/352613777.db2.gz ODRNPSHYGRSJIH-RITPCOANSA-N 0 0 149.184 1.640 10 0 ADAERN C[C@@H]1CS[C@@H](c2cnccn2)N1 575543052 352613806 /nfs/dbraw/zinc/61/38/06/352613806.db2.gz UMEMSMRFFDCWPI-SVRRBLITSA-N 0 0 181.264 1.200 10 0 ADAERN C[C@@H]1CN[C@@H](c2cnccn2)SC1 575543243 352614150 /nfs/dbraw/zinc/61/41/50/352614150.db2.gz VQVPZCRFDVXLEN-VXNVDRBHSA-N 0 0 195.291 1.448 10 0 ADAERN C[C@H]1CN[C@@H](c2cnccn2)SC1 575543242 352614159 /nfs/dbraw/zinc/61/41/59/352614159.db2.gz VQVPZCRFDVXLEN-IONNQARKSA-N 0 0 195.291 1.448 10 0 ADAERN Cc1nccnc1[C@@H]1N[C@H](C)CS1 575543231 352614182 /nfs/dbraw/zinc/61/41/82/352614182.db2.gz VNWMJQIEPOHIKA-HZGVNTEJSA-N 0 0 195.291 1.509 10 0 ADAERN C[C@@H]1CN[C@H](c2cnccn2)SC1 575543240 352614198 /nfs/dbraw/zinc/61/41/98/352614198.db2.gz VQVPZCRFDVXLEN-APPZFPTMSA-N 0 0 195.291 1.448 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccc(=O)[nH]c1 575543238 352614204 /nfs/dbraw/zinc/61/42/04/352614204.db2.gz VPMGPTMAZUHNAZ-SFYZADRCSA-N 0 0 178.235 1.855 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccc(=O)[nH]c1 575543239 352614246 /nfs/dbraw/zinc/61/42/46/352614246.db2.gz VPMGPTMAZUHNAZ-YUMQZZPRSA-N 0 0 178.235 1.855 10 0 ADAERN Cc1nccnc1[C@@H]1N[C@@H](C)CS1 575543232 352614325 /nfs/dbraw/zinc/61/43/25/352614325.db2.gz VNWMJQIEPOHIKA-IMTBSYHQSA-N 0 0 195.291 1.509 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccc(=O)[nH]c1 575543236 352614358 /nfs/dbraw/zinc/61/43/58/352614358.db2.gz VPMGPTMAZUHNAZ-HTQZYQBOSA-N 0 0 178.235 1.855 10 0 ADAERN Cc1nccnc1[C@H]1N[C@@H](C)CS1 575543234 352614367 /nfs/dbraw/zinc/61/43/67/352614367.db2.gz VNWMJQIEPOHIKA-RCOVLWMOSA-N 0 0 195.291 1.509 10 0 ADAERN C[C@H]1CN[C@H](c2cnccn2)SC1 575543241 352614377 /nfs/dbraw/zinc/61/43/77/352614377.db2.gz VQVPZCRFDVXLEN-CBAPKCEASA-N 0 0 195.291 1.448 10 0 ADAERN Cc1nccnc1[C@H]1N[C@H](C)CS1 575543233 352614387 /nfs/dbraw/zinc/61/43/87/352614387.db2.gz VNWMJQIEPOHIKA-MUWHJKNJSA-N 0 0 195.291 1.509 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccc(=O)[nH]c1 575543237 352614394 /nfs/dbraw/zinc/61/43/94/352614394.db2.gz VPMGPTMAZUHNAZ-JGVFFNPUSA-N 0 0 178.235 1.855 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ccccc1 575543378 352614890 /nfs/dbraw/zinc/61/48/90/352614890.db2.gz XQGHKVMACFTTCF-VHSXEESVSA-N 0 0 163.220 1.622 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1ccccc1 575543376 352614785 /nfs/dbraw/zinc/61/47/85/352614785.db2.gz XQGHKVMACFTTCF-NXEZZACHSA-N 0 0 163.220 1.622 10 0 ADAERN Nc1cc(N2C[C@@H]3CCC[C@H]32)sn1 575543399 352614809 /nfs/dbraw/zinc/61/48/09/352614809.db2.gz PCUJMGUEBINDQB-NKWVEPMBSA-N 0 0 195.291 1.714 10 0 ADAERN CNc1nccnc1[C@H]1C[C@H]1C 575543395 352614812 /nfs/dbraw/zinc/61/48/12/352614812.db2.gz PCQJABVHSVECGV-RQJHMYQMSA-N 0 0 163.224 1.642 10 0 ADAERN Cn1cc(NC[C@@H]2CC23CC3)cn1 575543421 352614814 /nfs/dbraw/zinc/61/48/14/352614814.db2.gz PHVZSWNERSWTJD-QMMMGPOBSA-N 0 0 177.251 1.632 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ccccc1 575543379 352614845 /nfs/dbraw/zinc/61/48/45/352614845.db2.gz XQGHKVMACFTTCF-ZJUUUORDSA-N 0 0 163.220 1.622 10 0 ADAERN Nc1cc(N2C[C@H]3CCC[C@H]32)sn1 575543401 352614871 /nfs/dbraw/zinc/61/48/71/352614871.db2.gz PCUJMGUEBINDQB-RNFRBKRXSA-N 0 0 195.291 1.714 10 0 ADAERN Cc1cccc(N[C@@H]2CC[C@H]2O)c1 575543490 352614885 /nfs/dbraw/zinc/61/48/85/352614885.db2.gz YSHJHMRJXXAFJL-GHMZBOCLSA-N 0 0 177.247 1.930 10 0 ADAERN Nc1cc(N2C[C@H]3CCC[C@@H]32)sn1 575543402 352614922 /nfs/dbraw/zinc/61/49/22/352614922.db2.gz PCUJMGUEBINDQB-RQJHMYQMSA-N 0 0 195.291 1.714 10 0 ADAERN CNc1nccnc1[C@@H]1C[C@H]1C 575543394 352614949 /nfs/dbraw/zinc/61/49/49/352614949.db2.gz PCQJABVHSVECGV-RNFRBKRXSA-N 0 0 163.224 1.642 10 0 ADAERN CNc1nccnc1[C@@H]1C[C@@H]1C 575543393 352614960 /nfs/dbraw/zinc/61/49/60/352614960.db2.gz PCQJABVHSVECGV-NKWVEPMBSA-N 0 0 163.224 1.642 10 0 ADAERN Nc1cc(N2C[C@@H]3CCC[C@@H]32)sn1 575543397 352614962 /nfs/dbraw/zinc/61/49/62/352614962.db2.gz PCUJMGUEBINDQB-BQBZGAKWSA-N 0 0 195.291 1.714 10 0 ADAERN Cn1cc(NC[C@H]2CC23CC3)cn1 575543420 352614973 /nfs/dbraw/zinc/61/49/73/352614973.db2.gz PHVZSWNERSWTJD-MRVPVSSYSA-N 0 0 177.251 1.632 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1ccccc1 575543377 352614977 /nfs/dbraw/zinc/61/49/77/352614977.db2.gz XQGHKVMACFTTCF-UWVGGRQHSA-N 0 0 163.220 1.622 10 0 ADAERN CNc1nccnc1[C@H]1C[C@@H]1C 575543389 352615008 /nfs/dbraw/zinc/61/50/08/352615008.db2.gz PCQJABVHSVECGV-BQBZGAKWSA-N 0 0 163.224 1.642 10 0 ADAERN Cc1cccc(N[C@H]2CC[C@H]2O)c1 575543493 352615319 /nfs/dbraw/zinc/61/53/19/352615319.db2.gz YSHJHMRJXXAFJL-WDEREUQCSA-N 0 0 177.247 1.930 10 0 ADAERN Cc1cccc(N[C@@H]2CC[C@@H]2O)c1 575543491 352615379 /nfs/dbraw/zinc/61/53/79/352615379.db2.gz YSHJHMRJXXAFJL-MNOVXSKESA-N 0 0 177.247 1.930 10 0 ADAERN Cn1cc(NCC2CC=CC2)nn1 575543568 352615381 /nfs/dbraw/zinc/61/53/81/352615381.db2.gz AKSLGPDGQSCMRJ-UHFFFAOYSA-N 0 0 178.239 1.193 10 0 ADAERN Cc1cccc(N[C@H]2CC[C@@H]2O)c1 575543492 352615517 /nfs/dbraw/zinc/61/55/17/352615517.db2.gz YSHJHMRJXXAFJL-QWRGUYRKSA-N 0 0 177.247 1.930 10 0 ADAERN Nc1nc([C@H]2C[C@@H]3C[C@@H]3C2)ns1 575543752 352616025 /nfs/dbraw/zinc/61/60/25/352616025.db2.gz DUYVLFFEYVSKPS-FPFOFBBKSA-N 0 0 181.264 1.464 10 0 ADAERN Cc1c(NC/C=C/Cl)nnn1C 575543736 352616187 /nfs/dbraw/zinc/61/61/87/352616187.db2.gz DKWHHUHSVRMZPS-ONEGZZNKSA-N 0 0 186.646 1.288 10 0 ADAERN O[C@H]1CC[C@H]1Nc1cncc(Cl)c1 575544169 352616877 /nfs/dbraw/zinc/61/68/77/352616877.db2.gz CHBDXCSKKKQFRL-BDAKNGLRSA-N 0 0 198.653 1.670 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1cn(C)nn1 575544200 352617208 /nfs/dbraw/zinc/61/72/08/352617208.db2.gz VEAGCNZXYVUDRE-BQBZGAKWSA-N 0 0 166.228 1.026 10 0 ADAERN CN1CCC[C@@H]1C(=O)c1ccco1 575544284 352617296 /nfs/dbraw/zinc/61/72/96/352617296.db2.gz DOTBNWIVYPEANV-MRVPVSSYSA-N 0 0 179.219 1.557 10 0 ADAERN O[C@H]1CC[C@@H]1Nc1cncc(Cl)c1 575544175 352617382 /nfs/dbraw/zinc/61/73/82/352617382.db2.gz CHBDXCSKKKQFRL-IUCAKERBSA-N 0 0 198.653 1.670 10 0 ADAERN C[C@H]1CC[C@H]1Nc1cn(C)nn1 575544203 352617493 /nfs/dbraw/zinc/61/74/93/352617493.db2.gz VEAGCNZXYVUDRE-NKWVEPMBSA-N 0 0 166.228 1.026 10 0 ADAERN O[C@@H]1CC[C@H]1Nc1cncc(Cl)c1 575544177 352617498 /nfs/dbraw/zinc/61/74/98/352617498.db2.gz CHBDXCSKKKQFRL-RKDXNWHRSA-N 0 0 198.653 1.670 10 0 ADAERN CN1CCC[C@H]1C(=O)c1ccco1 575544285 352617503 /nfs/dbraw/zinc/61/75/03/352617503.db2.gz DOTBNWIVYPEANV-QMMMGPOBSA-N 0 0 179.219 1.557 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1cn(C)nn1 575544206 352617595 /nfs/dbraw/zinc/61/75/95/352617595.db2.gz VEAGCNZXYVUDRE-RNFRBKRXSA-N 0 0 166.228 1.026 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1cn(C)nn1 575544208 352617619 /nfs/dbraw/zinc/61/76/19/352617619.db2.gz VEAGCNZXYVUDRE-RQJHMYQMSA-N 0 0 166.228 1.026 10 0 ADAERN Cn1nncc1NC[C@H]1CC12CC2 575544473 352617980 /nfs/dbraw/zinc/61/79/80/352617980.db2.gz WEABOWVVNIEGLG-SSDOTTSWSA-N 0 0 178.239 1.027 10 0 ADAERN CN1CCC[C@@H]1C(=O)c1ccc[nH]1 575544503 352618017 /nfs/dbraw/zinc/61/80/17/352618017.db2.gz DZSPZNZIBCFTLW-SECBINFHSA-N 0 0 178.235 1.292 10 0 ADAERN Cn1nncc1NC[C@@H]1CC12CC2 575544474 352618147 /nfs/dbraw/zinc/61/81/47/352618147.db2.gz WEABOWVVNIEGLG-ZETCQYMHSA-N 0 0 178.239 1.027 10 0 ADAERN CN1CCC[C@H]1C(=O)c1ccc[nH]1 575544506 352618228 /nfs/dbraw/zinc/61/82/28/352618228.db2.gz DZSPZNZIBCFTLW-VIFPVBQESA-N 0 0 178.235 1.292 10 0 ADAERN Cc1cc(NC#N)ccc1O 575544642 352618647 /nfs/dbraw/zinc/61/86/47/352618647.db2.gz ADQSZFHWLPMDMO-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN C[C@@H](Nc1cnnn1C)C1(C)CC1 575544692 352618698 /nfs/dbraw/zinc/61/86/98/352618698.db2.gz GPBCBWDMZVOBDF-SSDOTTSWSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H](Nc1cnnn1C)C1(C)CC1 575544695 352618743 /nfs/dbraw/zinc/61/87/43/352618743.db2.gz GPBCBWDMZVOBDF-ZETCQYMHSA-N 0 0 180.255 1.416 10 0 ADAERN Cn1cc(NCC2=CCCC2)nn1 575544660 352618819 /nfs/dbraw/zinc/61/88/19/352618819.db2.gz JVRMMMFBKWLKMN-UHFFFAOYSA-N 0 0 178.239 1.337 10 0 ADAERN Cc1nnccc1-c1cc(N)on1 575544598 352619011 /nfs/dbraw/zinc/61/90/11/352619011.db2.gz GRCOPTFYAUSUIP-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN Cn1cc(N[C@H]2CCC2(C)C)nn1 575544854 352619286 /nfs/dbraw/zinc/61/92/86/352619286.db2.gz XIWFITWMJGLACD-ZETCQYMHSA-N 0 0 180.255 1.416 10 0 ADAERN Nc1nc([C@@H]2CC[C@@H]3C[C@@H]3C2)ns1 575544810 352619402 /nfs/dbraw/zinc/61/94/02/352619402.db2.gz LIROHCGKPOFZLJ-FSDSQADBSA-N 0 0 195.291 1.854 10 0 ADAERN Cn1cc(N[C@@H]2CCC2(C)C)nn1 575544853 352619499 /nfs/dbraw/zinc/61/94/99/352619499.db2.gz XIWFITWMJGLACD-SSDOTTSWSA-N 0 0 180.255 1.416 10 0 ADAERN Cc1nn(C)cc1NCC(C)(F)F 575544742 352619608 /nfs/dbraw/zinc/61/96/08/352619608.db2.gz HIWGJXMOXHALDH-UHFFFAOYSA-N 0 0 189.209 1.796 10 0 ADAERN Nc1nc([C@@H]2CC[C@H]3C[C@H]3C2)ns1 575544820 352619622 /nfs/dbraw/zinc/61/96/22/352619622.db2.gz LIROHCGKPOFZLJ-XVMARJQXSA-N 0 0 195.291 1.854 10 0 ADAERN CC(C)C1(C(C)C)NNC(=O)[C@H]1C 575544976 352619951 /nfs/dbraw/zinc/61/99/51/352619951.db2.gz DIIUGVWTZYPVOT-MRVPVSSYSA-N 0 0 184.283 1.308 10 0 ADAERN CC(C)[C@@]1(C2CC2)CC(=O)N1 575544924 352619962 /nfs/dbraw/zinc/61/99/62/352619962.db2.gz CIORXKCDQBMTRN-SECBINFHSA-N 0 0 153.225 1.311 10 0 ADAERN CC(C)C1(C(C)C)NNC(=O)[C@@H]1C 575544977 352620011 /nfs/dbraw/zinc/62/00/11/352620011.db2.gz DIIUGVWTZYPVOT-QMMMGPOBSA-N 0 0 184.283 1.308 10 0 ADAERN CC(C)C1(C(C)C)CC(=O)NN1 575544978 352620044 /nfs/dbraw/zinc/62/00/44/352620044.db2.gz DKTBJFOWAHEYIE-UHFFFAOYSA-N 0 0 170.256 1.062 10 0 ADAERN CC1(C)CCN1c1cc(N)ns1 575544902 352620061 /nfs/dbraw/zinc/62/00/61/352620061.db2.gz XWDZHRUEOPWYET-UHFFFAOYSA-N 0 0 183.280 1.714 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1NC(=O)[C@H]1C1CC1 575545007 352620075 /nfs/dbraw/zinc/62/00/75/352620075.db2.gz DQLFNZUVEOJFNJ-VGMNWLOBSA-N 0 0 179.263 1.557 10 0 ADAERN Nc1ccnn1C[C@H]1C[C@@H]2C[C@@H]2C1 575544927 352620080 /nfs/dbraw/zinc/62/00/80/352620080.db2.gz MGLMDNLNRZERFS-AYMMMOKOSA-N 0 0 177.251 1.511 10 0 ADAERN CC(C)[C@]1(C2CC2)CC(=O)N1 575544925 352620180 /nfs/dbraw/zinc/62/01/80/352620180.db2.gz CIORXKCDQBMTRN-VIFPVBQESA-N 0 0 153.225 1.311 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1NC(=O)[C@@H]1C1CC1 575545004 352620219 /nfs/dbraw/zinc/62/02/19/352620219.db2.gz DQLFNZUVEOJFNJ-HLTSFMKQSA-N 0 0 179.263 1.557 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1NC(=O)[C@@H]1C1CC1 575545006 352620245 /nfs/dbraw/zinc/62/02/45/352620245.db2.gz DQLFNZUVEOJFNJ-IWSPIJDZSA-N 0 0 179.263 1.557 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1NC(=O)[C@H]1C1CC1 575545005 352620275 /nfs/dbraw/zinc/62/02/75/352620275.db2.gz DQLFNZUVEOJFNJ-HRDYMLBCSA-N 0 0 179.263 1.557 10 0 ADAERN Nc1cnc([C@H]2C[C@@H]3C[C@@H]3C2)nc1 575545044 352620696 /nfs/dbraw/zinc/62/06/96/352620696.db2.gz MZGNTOUYVFVKSU-RNLVFQAGSA-N 0 0 175.235 1.572 10 0 ADAERN Cc1cn(C)nc1-n1cc[nH]c1=S 575545046 352620713 /nfs/dbraw/zinc/62/07/13/352620713.db2.gz NGMGVIBNQFQKJQ-UHFFFAOYSA-N 0 0 194.263 1.203 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1[C@H]1CC1(C)C 575545250 352621623 /nfs/dbraw/zinc/62/16/23/352621623.db2.gz DVTIZDYRWXIKON-VGMNWLOBSA-N 0 0 181.279 1.803 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@H]1CC1(C)C 575545249 352621301 /nfs/dbraw/zinc/62/13/01/352621301.db2.gz DVTIZDYRWXIKON-HRDYMLBCSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1NC(=O)[C@H]1C1CC1 575545298 352621320 /nfs/dbraw/zinc/62/13/20/352621320.db2.gz GAFXTIJYRAIJPT-RSWFSCQZSA-N 0 0 165.236 1.167 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@H]1C[C@H]1C 575545260 352621341 /nfs/dbraw/zinc/62/13/41/352621341.db2.gz FFVYKBKPMRAVPC-RYPBNFRJSA-N 0 0 167.252 1.413 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@@H]1CC1(C)C 575545251 352621438 /nfs/dbraw/zinc/62/14/38/352621438.db2.gz DVTIZDYRWXIKON-XHNCKOQMSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1NC(=O)[C@@H]1C1CC1 575545297 352621466 /nfs/dbraw/zinc/62/14/66/352621466.db2.gz GAFXTIJYRAIJPT-JYFAAPFMSA-N 0 0 165.236 1.167 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@H]1C[C@@H]1C 575545262 352621469 /nfs/dbraw/zinc/62/14/69/352621469.db2.gz FFVYKBKPMRAVPC-XSPKLOCKSA-N 0 0 167.252 1.413 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@@H]1C[C@@H]1C 575545261 352621492 /nfs/dbraw/zinc/62/14/92/352621492.db2.gz FFVYKBKPMRAVPC-UYXSQOIJSA-N 0 0 167.252 1.413 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@@H]1[C@@H]1C[C@H]1C 575545259 352621552 /nfs/dbraw/zinc/62/15/52/352621552.db2.gz FFVYKBKPMRAVPC-LURQLKTLSA-N 0 0 167.252 1.413 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1NC(=O)[C@@H]1C1CC1 575545299 352621603 /nfs/dbraw/zinc/62/16/03/352621603.db2.gz GAFXTIJYRAIJPT-VCGXYPBASA-N 0 0 165.236 1.167 10 0 ADAERN CC(C)[C@@H]1C(=O)N[C@H]1[C@@H]1CC1(C)C 575545248 352621609 /nfs/dbraw/zinc/62/16/09/352621609.db2.gz DVTIZDYRWXIKON-CIUDSAMLSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1NC(=O)[C@H]1C1CC1 575545300 352621658 /nfs/dbraw/zinc/62/16/58/352621658.db2.gz GAFXTIJYRAIJPT-WOPDXLMNSA-N 0 0 165.236 1.167 10 0 ADAERN C/C=C/[C@H](NC)c1ccsn1 575545403 352621812 /nfs/dbraw/zinc/62/18/12/352621812.db2.gz LQQILHNIKADDBE-SDLBARTOSA-N 0 0 168.265 1.980 10 0 ADAERN Cn1cc(NCC(C)(F)F)cn1 575545361 352621891 /nfs/dbraw/zinc/62/18/91/352621891.db2.gz LAIDLNMLSSGDFL-UHFFFAOYSA-N 0 0 175.182 1.487 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@@H]1CC1(C)C 575545565 352621920 /nfs/dbraw/zinc/62/19/20/352621920.db2.gz IFUVIEIYXGOCEV-RNSXUZJQSA-N 0 0 181.279 1.947 10 0 ADAERN C/C=C/[C@@H](NC)c1ccsn1 575545402 352621974 /nfs/dbraw/zinc/62/19/74/352621974.db2.gz LQQILHNIKADDBE-KGGZQZJCSA-N 0 0 168.265 1.980 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1[C@@H]1CC1(C)C 575545564 352622015 /nfs/dbraw/zinc/62/20/15/352622015.db2.gz IFUVIEIYXGOCEV-LAEOZQHASA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1NC(=O)C1(C)C 575545557 352622049 /nfs/dbraw/zinc/62/20/49/352622049.db2.gz IEDHTKNXWLVFLW-VQVTYTSYSA-N 0 0 153.225 1.167 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@H]1CC1(C)C 575545566 352622073 /nfs/dbraw/zinc/62/20/73/352622073.db2.gz IFUVIEIYXGOCEV-XLDPMVHQSA-N 0 0 181.279 1.947 10 0 ADAERN CC[C@]1(C)C(=O)N[C@H]1[C@H]1CC1(C)C 575545563 352622218 /nfs/dbraw/zinc/62/22/18/352622218.db2.gz IFUVIEIYXGOCEV-FYBVGQRMSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1C[C@H]1[C@H]1NC(=O)C1(C)C 575545554 352622239 /nfs/dbraw/zinc/62/22/39/352622239.db2.gz IEDHTKNXWLVFLW-FSDSQADBSA-N 0 0 153.225 1.167 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H]1NC(=O)C1(C)C 575545555 352622242 /nfs/dbraw/zinc/62/22/42/352622242.db2.gz IEDHTKNXWLVFLW-QYNIQEEDSA-N 0 0 153.225 1.167 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1NC(=O)C1(C)C 575545552 352622264 /nfs/dbraw/zinc/62/22/64/352622264.db2.gz IEDHTKNXWLVFLW-DSYKOEDSSA-N 0 0 153.225 1.167 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@H]1C[C@@H]1C 575545712 352622866 /nfs/dbraw/zinc/62/28/66/352622866.db2.gz JEWPGZBOOXPRRY-OORONAJNSA-N 0 0 167.252 1.557 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@H]1C[C@H]1C 575545711 352622872 /nfs/dbraw/zinc/62/28/72/352622872.db2.gz JEWPGZBOOXPRRY-JIOCBJNQSA-N 0 0 167.252 1.557 10 0 ADAERN CC[C@]1(C)C(=O)N[C@@H]1[C@@H]1C[C@@H]1C 575545713 352622877 /nfs/dbraw/zinc/62/28/77/352622877.db2.gz JEWPGZBOOXPRRY-WHQQTDPMSA-N 0 0 167.252 1.557 10 0 ADAERN CC1(C)C[C@H]1[C@H]1NC(=O)C1(C)C 575545800 352623468 /nfs/dbraw/zinc/62/34/68/352623468.db2.gz JWIBKHZZTGDTFU-NKWVEPMBSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1NC(=O)[C@@H]1C(C)(C)C 575545815 352623489 /nfs/dbraw/zinc/62/34/89/352623489.db2.gz JYCJICYMDAYWGU-BZNPZCIMSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H]1NC(=O)[C@H]1C(C)(C)C 575545816 352623531 /nfs/dbraw/zinc/62/35/31/352623531.db2.gz JYCJICYMDAYWGU-RYPBNFRJSA-N 0 0 181.279 1.803 10 0 ADAERN Cn1[nH]c(C2CC(C)(C)C2)nc1=N 575545847 352623597 /nfs/dbraw/zinc/62/35/97/352623597.db2.gz QWWPLAUXLMBLEB-UHFFFAOYSA-N 0 0 180.255 1.131 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1NC(=O)C1(C)C 575545805 352623612 /nfs/dbraw/zinc/62/36/12/352623612.db2.gz JWIBKHZZTGDTFU-RQJHMYQMSA-N 0 0 167.252 1.557 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1NC(=O)C1(C)C 575545802 352623619 /nfs/dbraw/zinc/62/36/19/352623619.db2.gz JWIBKHZZTGDTFU-RNFRBKRXSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1NC(=O)[C@H]1C(C)(C)C 575545819 352623624 /nfs/dbraw/zinc/62/36/24/352623624.db2.gz JYCJICYMDAYWGU-XGEHTFHBSA-N 0 0 181.279 1.803 10 0 ADAERN CC1(C)CC(CN2CCC(=O)C2)C1 575545838 352623626 /nfs/dbraw/zinc/62/36/26/352623626.db2.gz QNHCVBVBQJYOEV-UHFFFAOYSA-N 0 0 181.279 1.697 10 0 ADAERN CC(C)[C@@H]1C[NH2+][C@@H]1c1cnccn1 575545779 352623656 /nfs/dbraw/zinc/62/36/56/352623656.db2.gz MUZPPOGRIKSWFP-WPRPVWTQSA-N 0 0 177.251 1.393 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1NC(=O)[C@@H]1C(C)(C)C 575545818 352623709 /nfs/dbraw/zinc/62/37/09/352623709.db2.gz JYCJICYMDAYWGU-XAVMHZPKSA-N 0 0 181.279 1.803 10 0 ADAERN CN1CCC[C@@H]1C(=O)c1ccoc1 575545967 352623739 /nfs/dbraw/zinc/62/37/39/352623739.db2.gz NQKCIYXRMOZKKM-SECBINFHSA-N 0 0 179.219 1.557 10 0 ADAERN CN1CCC[C@H]1C(=O)c1ccoc1 575545968 352623742 /nfs/dbraw/zinc/62/37/42/352623742.db2.gz NQKCIYXRMOZKKM-VIFPVBQESA-N 0 0 179.219 1.557 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@@H]1CC1(C)C 575545799 352623751 /nfs/dbraw/zinc/62/37/51/352623751.db2.gz JWIBKHZZTGDTFU-BQBZGAKWSA-N 0 0 167.252 1.557 10 0 ADAERN CC[C@@]1(C(C)C)NNC(=O)[C@H]1C 575546167 352624154 /nfs/dbraw/zinc/62/41/54/352624154.db2.gz NWPMJJLKKIHXCS-APPZFPTMSA-N 0 0 170.256 1.062 10 0 ADAERN CC[C@]1(C(C)C)NNC(=O)[C@H]1C 575546182 352624158 /nfs/dbraw/zinc/62/41/58/352624158.db2.gz NWPMJJLKKIHXCS-VXNVDRBHSA-N 0 0 170.256 1.062 10 0 ADAERN CC[C@]1(C(C)C)NNC(=O)[C@@H]1C 575546181 352624430 /nfs/dbraw/zinc/62/44/30/352624430.db2.gz NWPMJJLKKIHXCS-IONNQARKSA-N 0 0 170.256 1.062 10 0 ADAERN CC[C@@]1(C(C)C)NNC(=O)[C@@H]1C 575546169 352624453 /nfs/dbraw/zinc/62/44/53/352624453.db2.gz NWPMJJLKKIHXCS-CBAPKCEASA-N 0 0 170.256 1.062 10 0 ADAERN C/C=C/[C@H](N)C(F)(F)CC 575546343 352624857 /nfs/dbraw/zinc/62/48/57/352624857.db2.gz QLLVWLZHCMZWRN-QVQDZQDPSA-N 0 0 149.184 1.935 10 0 ADAERN Cc1nnccc1C1N=NC(=S)O1 575546290 352624978 /nfs/dbraw/zinc/62/49/78/352624978.db2.gz UKSPMTIJFCOZQM-UHFFFAOYSA-N 0 0 194.219 1.124 10 0 ADAERN Cc1c(NCC(C)(F)F)nnn1C 575546374 352625152 /nfs/dbraw/zinc/62/51/52/352625152.db2.gz RRFNOPDRMOTOSN-UHFFFAOYSA-N 0 0 190.197 1.191 10 0 ADAERN C/C=C/CNc1nnn(C)c1C 575546253 352625184 /nfs/dbraw/zinc/62/51/84/352625184.db2.gz SNHIVPDWHFQILN-SNAWJCMRSA-N 0 0 166.228 1.112 10 0 ADAERN C/C=C/[C@@H](N)C(F)(F)CC 575546341 352625194 /nfs/dbraw/zinc/62/51/94/352625194.db2.gz QLLVWLZHCMZWRN-MXTDHUQFSA-N 0 0 149.184 1.935 10 0 ADAERN CC(C)=CCNc1nnn(C)c1C 575546268 352625198 /nfs/dbraw/zinc/62/51/98/352625198.db2.gz SVKUWDJLDOYGOE-UHFFFAOYSA-N 0 0 180.255 1.502 10 0 ADAERN CC(F)(F)CN[C@@H]1C=CCC1 575546451 352625609 /nfs/dbraw/zinc/62/56/09/352625609.db2.gz SWOZAXIZDGBTOF-SSDOTTSWSA-N 0 0 161.195 1.950 10 0 ADAERN CC(F)(F)CN[C@H]1C=CCC1 575546453 352625648 /nfs/dbraw/zinc/62/56/48/352625648.db2.gz SWOZAXIZDGBTOF-ZETCQYMHSA-N 0 0 161.195 1.950 10 0 ADAERN Cc1c(Cl)cncc1NN 575546604 352625681 /nfs/dbraw/zinc/62/56/81/352625681.db2.gz WDLKFECXCJOAEA-UHFFFAOYSA-N 0 0 157.604 1.329 10 0 ADAERN Cc1cc(=S)n(-c2ccnn2C)[nH]1 575546645 352626197 /nfs/dbraw/zinc/62/61/97/352626197.db2.gz XGVNQMNOLWVSLD-UHFFFAOYSA-N 0 0 194.263 1.203 10 0 ADAERN Cn1nncc1N[C@]1(C)CC1(C)C 575546634 352626379 /nfs/dbraw/zinc/62/63/79/352626379.db2.gz WUZXAQWRQIXSQO-SECBINFHSA-N 0 0 180.255 1.416 10 0 ADAERN Cn1cc(NC[Si](C)(C)C)nn1 575546685 352626456 /nfs/dbraw/zinc/62/64/56/352626456.db2.gz XTXWQKFJYHXSSO-UHFFFAOYSA-N 0 0 184.319 1.104 10 0 ADAERN Cn1nncc1N[C@@]1(C)CC1(C)C 575546635 352626497 /nfs/dbraw/zinc/62/64/97/352626497.db2.gz WUZXAQWRQIXSQO-VIFPVBQESA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H]1CC[C@@H](C)[N@@H+]1/C=C/C(=O)[O-] 575546908 352626880 /nfs/dbraw/zinc/62/68/80/352626880.db2.gz WRWUAYHTPSVZCI-QVEUVULFSA-N 0 0 169.224 1.458 10 0 ADAERN C[C@@H]1CC[C@@H](C)[NH+]1/C=C/C(=O)[O-] 575546909 352627084 /nfs/dbraw/zinc/62/70/84/352627084.db2.gz WRWUAYHTPSVZCI-ZZTMBZGHSA-N 0 0 169.224 1.458 10 0 ADAERN C[C@H]1CC[C@H](C)[NH+]1/C=C/C(=O)[O-] 575546907 352627127 /nfs/dbraw/zinc/62/71/27/352627127.db2.gz WRWUAYHTPSVZCI-JBGJSGBSSA-N 0 0 169.224 1.458 10 0 ADAERN Cc1cc(O)ccc1NC#N 575547034 352627138 /nfs/dbraw/zinc/62/71/38/352627138.db2.gz WRAJSWANOXXGDR-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN Cc1ccc(O)cc1NC#N 575546948 352627141 /nfs/dbraw/zinc/62/71/41/352627141.db2.gz UBDDRGULAUAWTQ-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN N#CNc1ccc(O)c(Cl)c1 575547029 352627214 /nfs/dbraw/zinc/62/72/14/352627214.db2.gz WJYNVXDRVYNPFK-UHFFFAOYSA-N 0 0 168.583 1.939 10 0 ADAERN C1CC1c1nnc([C@H]2CC23CC3)[nH]1 575547480 352628252 /nfs/dbraw/zinc/62/82/52/352628252.db2.gz DXRVJIGYOKIFAV-SSDOTTSWSA-N 0 0 175.235 1.950 10 0 ADAERN CCc1[nH]c(=S)ncc1F 575547471 352628270 /nfs/dbraw/zinc/62/82/70/352628270.db2.gz DBTTUWMWZMSVPP-UHFFFAOYSA-N 0 0 158.201 1.467 10 0 ADAERN CC[C@H](C)n1cc(C)[nH]c1=O 575547439 352628298 /nfs/dbraw/zinc/62/82/98/352628298.db2.gz BXMBLGBIJXAGHR-ZETCQYMHSA-N 0 0 154.213 1.868 10 0 ADAERN CC[C@@H](C)n1cc(C)[nH]c1=O 575547438 352628534 /nfs/dbraw/zinc/62/85/34/352628534.db2.gz BXMBLGBIJXAGHR-SSDOTTSWSA-N 0 0 154.213 1.868 10 0 ADAERN O=Cc1ccncc1-n1ccnc1 575547333 352628604 /nfs/dbraw/zinc/62/86/04/352628604.db2.gz ZOUWYAVQZQHNNQ-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN C1CC1c1nnc([C@@H]2CC23CC3)[nH]1 575547481 352628623 /nfs/dbraw/zinc/62/86/23/352628623.db2.gz DXRVJIGYOKIFAV-ZETCQYMHSA-N 0 0 175.235 1.950 10 0 ADAERN C[C@H]1C[C@]1(C)Cn1cc[nH]c1=O 575547692 352629168 /nfs/dbraw/zinc/62/91/68/352629168.db2.gz RJGRYSVYPKPWSP-IONNQARKSA-N 0 0 166.224 1.635 10 0 ADAERN O=c1[nH]ccn1C1(C2CC2)CC1 575547579 352629188 /nfs/dbraw/zinc/62/91/88/352629188.db2.gz JKKCIMFMUCYXRH-UHFFFAOYSA-N 0 0 164.208 1.488 10 0 ADAERN CC1(C)C[C@@]1(C)c1n[nH]c(=S)[nH]1 575547659 352629205 /nfs/dbraw/zinc/62/92/05/352629205.db2.gz PCGGNJLBYRUPBA-QMMMGPOBSA-N 0 0 183.280 1.781 10 0 ADAERN CC1(C)C[C@]1(C)c1n[nH]c(=S)[nH]1 575547658 352629210 /nfs/dbraw/zinc/62/92/10/352629210.db2.gz PCGGNJLBYRUPBA-MRVPVSSYSA-N 0 0 183.280 1.781 10 0 ADAERN C[C@@]1(CS[C@H]2CCOC2)CO1 575547797 352629226 /nfs/dbraw/zinc/62/92/26/352629226.db2.gz YLEFJAVSCXQWAP-YUMQZZPRSA-N 0 0 174.265 1.297 10 0 ADAERN C[C@@]1(CS[C@@H]2CCOC2)CO1 575547796 352629249 /nfs/dbraw/zinc/62/92/49/352629249.db2.gz YLEFJAVSCXQWAP-SFYZADRCSA-N 0 0 174.265 1.297 10 0 ADAERN Cc1n[nH]c(C)c1[C@H](O)C1CC1 575547826 352629270 /nfs/dbraw/zinc/62/92/70/352629270.db2.gz ZTRGRYOLQTXKRO-SECBINFHSA-N 0 0 166.224 1.470 10 0 ADAERN C[C@@H]1C[C@]1(C)Cn1cc[nH]c1=O 575547693 352629301 /nfs/dbraw/zinc/62/93/01/352629301.db2.gz RJGRYSVYPKPWSP-VXNVDRBHSA-N 0 0 166.224 1.635 10 0 ADAERN CCC(F)(F)c1n[nH]c(C)n1 575547793 352629326 /nfs/dbraw/zinc/62/93/26/352629326.db2.gz YGNNDCRVHQDCBW-UHFFFAOYSA-N 0 0 161.155 1.615 10 0 ADAERN C[C@H]1C[C@@]1(C)Cn1cc[nH]c1=O 575547691 352629331 /nfs/dbraw/zinc/62/93/31/352629331.db2.gz RJGRYSVYPKPWSP-CBAPKCEASA-N 0 0 166.224 1.635 10 0 ADAERN CCc1ccc(=S)[nH]n1 575547682 352629363 /nfs/dbraw/zinc/62/93/63/352629363.db2.gz QWRDBBWZVSKHIJ-UHFFFAOYSA-N 0 0 140.211 1.328 10 0 ADAERN C[C@]1(CS[C@H]2CCOC2)CO1 575547795 352629375 /nfs/dbraw/zinc/62/93/75/352629375.db2.gz YLEFJAVSCXQWAP-JGVFFNPUSA-N 0 0 174.265 1.297 10 0 ADAERN CCc1n[nH]c([C@H]2CC23CC3)n1 575547669 352629397 /nfs/dbraw/zinc/62/93/97/352629397.db2.gz PZFWHVPOBVMXBX-ZCFIWIBFSA-N 0 0 163.224 1.635 10 0 ADAERN CCc1n[nH]c([C@@H]2CC23CC3)n1 575547668 352629417 /nfs/dbraw/zinc/62/94/17/352629417.db2.gz PZFWHVPOBVMXBX-LURJTMIESA-N 0 0 163.224 1.635 10 0 ADAERN C[C@@H]1C[C@@]1(C)Cn1cc[nH]c1=O 575547690 352629443 /nfs/dbraw/zinc/62/94/43/352629443.db2.gz RJGRYSVYPKPWSP-APPZFPTMSA-N 0 0 166.224 1.635 10 0 ADAERN Cc1n[nH]c(C)c1[C@@H](O)C1CC1 575547827 352629479 /nfs/dbraw/zinc/62/94/79/352629479.db2.gz ZTRGRYOLQTXKRO-VIFPVBQESA-N 0 0 166.224 1.470 10 0 ADAERN CN1CCC[C@H]1C(=O)c1cscn1 575548144 352630020 /nfs/dbraw/zinc/63/00/20/352630020.db2.gz BMNNOKBMTNFUHS-QMMMGPOBSA-N 0 0 196.275 1.420 10 0 ADAERN O=C1CO[C@](C2CCC2)(C2CC2)C1 575548119 352630063 /nfs/dbraw/zinc/63/00/63/352630063.db2.gz BJRYEJZBFXDLQV-LLVKDONJSA-N 0 0 180.247 1.925 10 0 ADAERN CN1CCC[C@@H]1C(=O)c1cscn1 575548142 352630124 /nfs/dbraw/zinc/63/01/24/352630124.db2.gz BMNNOKBMTNFUHS-MRVPVSSYSA-N 0 0 196.275 1.420 10 0 ADAERN O=C1CO[C@@](C2CCC2)(C2CC2)C1 575548122 352630134 /nfs/dbraw/zinc/63/01/34/352630134.db2.gz BJRYEJZBFXDLQV-NSHDSACASA-N 0 0 180.247 1.925 10 0 ADAERN C/C=C/[C@@H](O)c1cccc(N)n1 575548129 352630150 /nfs/dbraw/zinc/63/01/50/352630150.db2.gz AGFSRTSTOAFVKB-BYDTYLDUSA-N 0 0 164.208 1.273 10 0 ADAERN C/C=C/[C@H](O)c1cccc(N)c1 575548127 352630292 /nfs/dbraw/zinc/63/02/92/352630292.db2.gz AFVSAUIGJKARRI-YWNRKNDBSA-N 0 0 163.220 1.878 10 0 ADAERN C/C=C/[C@H](O)c1cccc(N)n1 575548131 352630295 /nfs/dbraw/zinc/63/02/95/352630295.db2.gz AGFSRTSTOAFVKB-KHVHVRLGSA-N 0 0 164.208 1.273 10 0 ADAERN C/C=C/[C@@H](O)c1cccc(N)c1 575548120 352630342 /nfs/dbraw/zinc/63/03/42/352630342.db2.gz AFVSAUIGJKARRI-XCRNYIDWSA-N 0 0 163.220 1.878 10 0 ADAERN Cc1cnc(NC2CSC2)nc1C 575548377 352630580 /nfs/dbraw/zinc/63/05/80/352630580.db2.gz DNTMBGCGQRBVMB-UHFFFAOYSA-N 0 0 195.291 1.621 10 0 ADAERN C/C=C/[C@@H](O)c1ccc(N)cc1 575548340 352630665 /nfs/dbraw/zinc/63/06/65/352630665.db2.gz CDSHPBXHNNGUGK-VMZHVLLKSA-N 0 0 163.220 1.878 10 0 ADAERN CS[C@@H]1CC[C@@H]1Nc1ccncn1 575548720 352631861 /nfs/dbraw/zinc/63/18/61/352631861.db2.gz GISXANJWMLKFEE-JGVFFNPUSA-N 0 0 195.291 1.783 10 0 ADAERN Fc1cnccc1NC1CSC1 575548809 352631913 /nfs/dbraw/zinc/63/19/13/352631913.db2.gz HLCUOUYTJDYOHY-UHFFFAOYSA-N 0 0 184.239 1.170 10 0 ADAERN CS[C@H]1CC[C@@H]1Nc1ccncn1 575548723 352631958 /nfs/dbraw/zinc/63/19/58/352631958.db2.gz GISXANJWMLKFEE-YUMQZZPRSA-N 0 0 195.291 1.783 10 0 ADAERN CS[C@@H]1CC[C@H]1Nc1ccncn1 575548719 352632075 /nfs/dbraw/zinc/63/20/75/352632075.db2.gz GISXANJWMLKFEE-HTQZYQBOSA-N 0 0 195.291 1.783 10 0 ADAERN Cn1nncc1NCC1=CCCC1 575548767 352632098 /nfs/dbraw/zinc/63/20/98/352632098.db2.gz GSRKFICLIJCTPA-UHFFFAOYSA-N 0 0 178.239 1.337 10 0 ADAERN CS[C@H]1CC[C@H]1Nc1ccncn1 575548722 352632123 /nfs/dbraw/zinc/63/21/23/352632123.db2.gz GISXANJWMLKFEE-SFYZADRCSA-N 0 0 195.291 1.783 10 0 ADAERN Fc1ccc(NC2CSC2)nc1 575548703 352632222 /nfs/dbraw/zinc/63/22/22/352632222.db2.gz GDDKLQGPDWPKPS-UHFFFAOYSA-N 0 0 184.239 1.748 10 0 ADAERN Cc1cocc1C1N=NC(=S)O1 575548696 352632279 /nfs/dbraw/zinc/63/22/79/352632279.db2.gz CFVKOSYWLWVLGP-UHFFFAOYSA-N 0 0 182.204 1.927 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2cncs2)n1 575548858 352632644 /nfs/dbraw/zinc/63/26/44/352632644.db2.gz GSDGWSZZPLXAFX-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1c[nH]c([C@H](O)c2cncs2)n1 575548856 352632656 /nfs/dbraw/zinc/63/26/56/352632656.db2.gz GSDGWSZZPLXAFX-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1cc(C)n(Cc2ncc[nH]2)c1 575548873 352632973 /nfs/dbraw/zinc/63/29/73/352632973.db2.gz LAYVGUFDPFGNPD-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN C[C@@H]1CCCC[C@H]1n1cc(N)nn1 575549280 352633945 /nfs/dbraw/zinc/63/39/45/352633945.db2.gz HVPXXWZBSKQEDK-HTQZYQBOSA-N 0 0 180.255 1.612 10 0 ADAERN CC(=O)CC(=O)Nc1ccns1 575549388 352634011 /nfs/dbraw/zinc/63/40/11/352634011.db2.gz KFIYUJSWWWTKEZ-UHFFFAOYSA-N 0 0 184.220 1.061 10 0 ADAERN C[C@H]1CCCC[C@H]1n1cc(N)nn1 575549281 352634166 /nfs/dbraw/zinc/63/41/66/352634166.db2.gz HVPXXWZBSKQEDK-JGVFFNPUSA-N 0 0 180.255 1.612 10 0 ADAERN C/C=C/[C@H](O)c1ccccc1N 575549296 352634199 /nfs/dbraw/zinc/63/41/99/352634199.db2.gz HYLMWPAXOBTUSS-FWYAXHSGSA-N 0 0 163.220 1.878 10 0 ADAERN N#CNc1ccc(O)cc1Cl 575549279 352634241 /nfs/dbraw/zinc/63/42/41/352634241.db2.gz HUNVUGSDGZVHLB-UHFFFAOYSA-N 0 0 168.583 1.939 10 0 ADAERN C[C@@H]1CCCC[C@@H]1n1cc(N)nn1 575549282 352634263 /nfs/dbraw/zinc/63/42/63/352634263.db2.gz HVPXXWZBSKQEDK-SFYZADRCSA-N 0 0 180.255 1.612 10 0 ADAERN C/C=C/[C@@H](O)c1ccccc1N 575549297 352634308 /nfs/dbraw/zinc/63/43/08/352634308.db2.gz HYLMWPAXOBTUSS-JYBNPQIESA-N 0 0 163.220 1.878 10 0 ADAERN C[C@H]1CCCC[C@@H]1n1cc(N)nn1 575549283 352634316 /nfs/dbraw/zinc/63/43/16/352634316.db2.gz HVPXXWZBSKQEDK-YUMQZZPRSA-N 0 0 180.255 1.612 10 0 ADAERN Cc1cocc1C1N=NC(=S)N1C 575549536 352634905 /nfs/dbraw/zinc/63/49/05/352634905.db2.gz KAFVPDXZRMEFQJ-UHFFFAOYSA-N 0 0 195.247 1.672 10 0 ADAERN Cc1c[nH]c(N2CC[C@H]2C)n1 575549530 352634993 /nfs/dbraw/zinc/63/49/93/352634993.db2.gz NLMWSUVJDZQHIA-SSDOTTSWSA-N 0 0 151.213 1.317 10 0 ADAERN Cc1c[nH]c(N2CC[C@@H]2C)n1 575549531 352635020 /nfs/dbraw/zinc/63/50/20/352635020.db2.gz NLMWSUVJDZQHIA-ZETCQYMHSA-N 0 0 151.213 1.317 10 0 ADAERN Cn1cnc(C2N=NC(=S)S2)c1 575549618 352635272 /nfs/dbraw/zinc/63/52/72/352635272.db2.gz LOYRWTOEHZUDRF-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN c1c[nH]c(N2C[C@H]3CCC[C@H]32)n1 575549578 352635299 /nfs/dbraw/zinc/63/52/99/352635299.db2.gz OBNDFSXCONEMLK-HTQZYQBOSA-N 0 0 163.224 1.398 10 0 ADAERN c1c[nH]c(N2C[C@@H]3CCC[C@H]32)n1 575549580 352635318 /nfs/dbraw/zinc/63/53/18/352635318.db2.gz OBNDFSXCONEMLK-JGVFFNPUSA-N 0 0 163.224 1.398 10 0 ADAERN c1c[nH]c(N2C[C@H]3CCC[C@@H]32)n1 575549581 352635473 /nfs/dbraw/zinc/63/54/73/352635473.db2.gz OBNDFSXCONEMLK-SFYZADRCSA-N 0 0 163.224 1.398 10 0 ADAERN c1c[nH]c(N2C[C@@H]3CCC[C@@H]32)n1 575549582 352635583 /nfs/dbraw/zinc/63/55/83/352635583.db2.gz OBNDFSXCONEMLK-YUMQZZPRSA-N 0 0 163.224 1.398 10 0 ADAERN CN1C(=S)N=NC1c1ccns1 575549723 352635637 /nfs/dbraw/zinc/63/56/37/352635637.db2.gz MLZNAAVPVGBXCF-UHFFFAOYSA-N 0 0 198.276 1.227 10 0 ADAERN CC1(C)C[C@@]1(C)[N@@H+]1CC[C@H]1C(=O)[O-] 575549833 352636040 /nfs/dbraw/zinc/63/60/40/352636040.db2.gz NISUSOOVXYZZFK-OIBJUYFYSA-N 0 0 183.251 1.334 10 0 ADAERN CN1CCC[C@H]1C(=O)c1ccns1 575549889 352636108 /nfs/dbraw/zinc/63/61/08/352636108.db2.gz MYKPXVDHHMQBNL-ZETCQYMHSA-N 0 0 196.275 1.420 10 0 ADAERN CC1(C)C[C@@]1(C)[N@@H+]1CC[C@@H]1C(=O)[O-] 575549832 352636127 /nfs/dbraw/zinc/63/61/27/352636127.db2.gz NISUSOOVXYZZFK-GMSGAONNSA-N 0 0 183.251 1.334 10 0 ADAERN CC1(C)C[C@]1(C)[N@@H+]1CC[C@H]1C(=O)[O-] 575549836 352636146 /nfs/dbraw/zinc/63/61/46/352636146.db2.gz NISUSOOVXYZZFK-XVKPBYJWSA-N 0 0 183.251 1.334 10 0 ADAERN CC1(C)C[C@]1(C)[N@@H+]1CC[C@@H]1C(=O)[O-] 575549835 352636171 /nfs/dbraw/zinc/63/61/71/352636171.db2.gz NISUSOOVXYZZFK-XCBNKYQSSA-N 0 0 183.251 1.334 10 0 ADAERN CN1CCC[C@@H]1C(=O)c1ccns1 575549888 352636175 /nfs/dbraw/zinc/63/61/75/352636175.db2.gz MYKPXVDHHMQBNL-SSDOTTSWSA-N 0 0 196.275 1.420 10 0 ADAERN CCNc1ccns1 575550045 352636816 /nfs/dbraw/zinc/63/68/16/352636816.db2.gz OZZQFVXOOOUVSP-UHFFFAOYSA-N 0 0 128.200 1.575 10 0 ADAERN CN1CCC[C@H]1C(=O)c1cnsc1 575550252 352637236 /nfs/dbraw/zinc/63/72/36/352637236.db2.gz RHSWWMQPBXJMTQ-QMMMGPOBSA-N 0 0 196.275 1.420 10 0 ADAERN O=Cc1cccn1C1CSC1 575550102 352637277 /nfs/dbraw/zinc/63/72/77/352637277.db2.gz OKXGJTLFMWQQKY-UHFFFAOYSA-N 0 0 167.233 1.589 10 0 ADAERN CN1CCC[C@@H]1C(=O)c1cnsc1 575550250 352637340 /nfs/dbraw/zinc/63/73/40/352637340.db2.gz RHSWWMQPBXJMTQ-MRVPVSSYSA-N 0 0 196.275 1.420 10 0 ADAERN Nc1cc(NC2CSC2)sn1 575550124 352637514 /nfs/dbraw/zinc/63/75/14/352637514.db2.gz OXYFVXOVAQMHOU-UHFFFAOYSA-N 0 0 187.293 1.253 10 0 ADAERN Cc1ncnc(NC2CSC2)c1F 575550125 352637517 /nfs/dbraw/zinc/63/75/17/352637517.db2.gz OYXOKXUXOOKHEN-UHFFFAOYSA-N 0 0 199.254 1.451 10 0 ADAERN C[C@@H]1COC[C@@H]1c1nc(=S)n(C)[nH]1 575550451 352637877 /nfs/dbraw/zinc/63/78/77/352637877.db2.gz RNZTYYNONCNXGA-RITPCOANSA-N 0 0 199.279 1.228 10 0 ADAERN C[C@H]1COC[C@H]1c1nc(=S)n(C)[nH]1 575550447 352637939 /nfs/dbraw/zinc/63/79/39/352637939.db2.gz RNZTYYNONCNXGA-NTSWFWBYSA-N 0 0 199.279 1.228 10 0 ADAERN C[C@H]1COC[C@@H]1c1nc(=S)n(C)[nH]1 575550454 352638013 /nfs/dbraw/zinc/63/80/13/352638013.db2.gz RNZTYYNONCNXGA-WDSKDSINSA-N 0 0 199.279 1.228 10 0 ADAERN Cc1c(O)cccc1NC#N 575550441 352638065 /nfs/dbraw/zinc/63/80/65/352638065.db2.gz RYRAJZUSENABOQ-UHFFFAOYSA-N 0 0 148.165 1.594 10 0 ADAERN C/C=C/[C@H](O)c1ccc(N)cn1 575550462 352638079 /nfs/dbraw/zinc/63/80/79/352638079.db2.gz SEYUIPQLWNXZHX-HPOULIHZSA-N 0 0 164.208 1.273 10 0 ADAERN C[C@@H]1COC[C@H]1c1nc(=S)n(C)[nH]1 575550448 352638164 /nfs/dbraw/zinc/63/81/64/352638164.db2.gz RNZTYYNONCNXGA-PHDIDXHHSA-N 0 0 199.279 1.228 10 0 ADAERN C/C=C/[C@@H](O)c1ccc(N)cn1 575550461 352638269 /nfs/dbraw/zinc/63/82/69/352638269.db2.gz SEYUIPQLWNXZHX-GKQMSVHHSA-N 0 0 164.208 1.273 10 0 ADAERN CSCCn1cc(C)[nH]c1=O 575550265 352638287 /nfs/dbraw/zinc/63/82/87/352638287.db2.gz SJKMPAUKNQEBQB-UHFFFAOYSA-N 0 0 172.253 1.260 10 0 ADAERN CC(F)(F)COC1CC(=O)C1 575550499 352638796 /nfs/dbraw/zinc/63/87/96/352638796.db2.gz SVCGZEDMENQBFT-UHFFFAOYSA-N 0 0 164.151 1.390 10 0 ADAERN O=Cc1nnc(-c2ccns2)s1 575550802 352639383 /nfs/dbraw/zinc/63/93/83/352639383.db2.gz UOETZARLPHAVFU-UHFFFAOYSA-N 0 0 197.244 1.474 10 0 ADAERN C[C@@H]1C(=O)NN[C@@H]1CC1CCCC1 575550871 352639499 /nfs/dbraw/zinc/63/94/99/352639499.db2.gz AUZSAPNECNHPOZ-IONNQARKSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1C(=O)NN[C@H]1CC1CCCC1 575550870 352639503 /nfs/dbraw/zinc/63/95/03/352639503.db2.gz AUZSAPNECNHPOZ-CBAPKCEASA-N 0 0 182.267 1.206 10 0 ADAERN N#CNc1cccc(F)c1O 575550738 352639515 /nfs/dbraw/zinc/63/95/15/352639515.db2.gz AGHRMAULZHCBGD-UHFFFAOYSA-N 0 0 152.128 1.424 10 0 ADAERN C[C@H]1C(=O)NN[C@@H]1CC1CCCC1 575550872 352639578 /nfs/dbraw/zinc/63/95/78/352639578.db2.gz AUZSAPNECNHPOZ-VXNVDRBHSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@H]1C(=O)NN[C@H]1CC1CCCC1 575550843 352639640 /nfs/dbraw/zinc/63/96/40/352639640.db2.gz AUZSAPNECNHPOZ-APPZFPTMSA-N 0 0 182.267 1.206 10 0 ADAERN Fc1cccnc1NC1CSC1 575550797 352639703 /nfs/dbraw/zinc/63/97/03/352639703.db2.gz UDXSZEYQXAZYGS-UHFFFAOYSA-N 0 0 184.239 1.748 10 0 ADAERN Cc1cccn1Cc1cn[nH]c1 575551006 352639956 /nfs/dbraw/zinc/63/99/56/352639956.db2.gz AXHFBPXZMXBGRF-UHFFFAOYSA-N 0 0 161.208 1.568 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H]1CC(=O)NC1(C)C 575550927 352640030 /nfs/dbraw/zinc/64/00/30/352640030.db2.gz BBCVXMVDYXCOMS-CSMHCCOUSA-N 0 0 167.252 1.557 10 0 ADAERN CC1CC(C2N=NC(=O)O2)C1 575550877 352640036 /nfs/dbraw/zinc/64/00/36/352640036.db2.gz YXUHIDRLYMLZQF-UHFFFAOYSA-N 0 0 154.169 1.289 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H]1CC(=O)NC1(C)C 575550932 352640063 /nfs/dbraw/zinc/64/00/63/352640063.db2.gz BBCVXMVDYXCOMS-PRJMDXOYSA-N 0 0 167.252 1.557 10 0 ADAERN CS[C@@H]1CC[C@@H]1Nc1cnnn1C 575551015 352640078 /nfs/dbraw/zinc/64/00/78/352640078.db2.gz VXHLAFQHJZKMIL-NKWVEPMBSA-N 0 0 198.295 1.121 10 0 ADAERN CS[C@H]1CC[C@H]1Nc1cnnn1C 575551022 352640087 /nfs/dbraw/zinc/64/00/87/352640087.db2.gz VXHLAFQHJZKMIL-RQJHMYQMSA-N 0 0 198.295 1.121 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@H]1CCNC1=O 575551054 352640095 /nfs/dbraw/zinc/64/00/95/352640095.db2.gz CBTYTPPHSSQVJL-OPRDCNLKSA-N 0 0 181.279 1.949 10 0 ADAERN CC1(C)C[C@H]1[C@@H]1CC(=O)NC1(C)C 575550896 352640124 /nfs/dbraw/zinc/64/01/24/352640124.db2.gz AWVQVPCBRGIPQX-YUMQZZPRSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1CCCC[C@H]1[C@@H]1CCNC1=O 575551050 352640162 /nfs/dbraw/zinc/64/01/62/352640162.db2.gz CBTYTPPHSSQVJL-BBBLOLIVSA-N 0 0 181.279 1.949 10 0 ADAERN Nc1nc(C[C@@H]2CC2(F)F)ns1 575550998 352640178 /nfs/dbraw/zinc/64/01/78/352640178.db2.gz VNNHDEGKJRUTGT-GSVOUGTGSA-N 0 0 191.206 1.148 10 0 ADAERN Nc1nc(C[C@H]2CC2(F)F)ns1 575551004 352640195 /nfs/dbraw/zinc/64/01/95/352640195.db2.gz VNNHDEGKJRUTGT-VKHMYHEASA-N 0 0 191.206 1.148 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1CC(=O)NC1(C)C 575550887 352640208 /nfs/dbraw/zinc/64/02/08/352640208.db2.gz AWVQVPCBRGIPQX-HTQZYQBOSA-N 0 0 181.279 1.947 10 0 ADAERN S=c1[nH]nc([C@]23CCC[C@H]2C3)[nH]1 575550999 352640230 /nfs/dbraw/zinc/64/02/30/352640230.db2.gz AXAIPYXMNRDCTG-XNCJUZBTSA-N 0 0 181.264 1.535 10 0 ADAERN CC1(C)C[C@H]1[C@H]1CC(=O)NC1(C)C 575550894 352640253 /nfs/dbraw/zinc/64/02/53/352640253.db2.gz AWVQVPCBRGIPQX-SFYZADRCSA-N 0 0 181.279 1.947 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@@H]1CCNC1=O 575551055 352640273 /nfs/dbraw/zinc/64/02/73/352640273.db2.gz CBTYTPPHSSQVJL-UTLUCORTSA-N 0 0 181.279 1.949 10 0 ADAERN CS[C@H]1CC[C@@H]1Nc1cnnn1C 575551013 352640308 /nfs/dbraw/zinc/64/03/08/352640308.db2.gz VXHLAFQHJZKMIL-BQBZGAKWSA-N 0 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CC[C@H](C)[C@]1(C)NNC(=O)[C@H]1C 575553329 352648600 /nfs/dbraw/zinc/64/86/00/352648600.db2.gz XBGWYDSQQPYZKQ-OOZYFLPDSA-N 0 0 170.256 1.062 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@]12CC(=O)NN2 575553382 352648607 /nfs/dbraw/zinc/64/86/07/352648607.db2.gz XYOKQNCOOFJCPN-WEDXCCLWSA-N 0 0 182.267 1.206 10 0 ADAERN Cc1cocc1[C@H](O)c1ccc[nH]1 575553575 352649101 /nfs/dbraw/zinc/64/91/01/352649101.db2.gz ZNMXZZSFBBCWKJ-JTQLQIEISA-N 0 0 177.203 1.998 10 0 ADAERN Cc1cocc1[C@@H](O)c1ccc[nH]1 575553576 352649108 /nfs/dbraw/zinc/64/91/08/352649108.db2.gz ZNMXZZSFBBCWKJ-SNVBAGLBSA-N 0 0 177.203 1.998 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1[C@@H]1CC12CC2 575553546 352649119 /nfs/dbraw/zinc/64/91/19/352649119.db2.gz ZUIPEMKXXDPXSN-RYPBNFRJSA-N 0 0 179.263 1.557 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]2CC(=O)NN2)C1 575553534 352649120 /nfs/dbraw/zinc/64/91/20/352649120.db2.gz ZUDQNJKNDFKYAA-VGMNWLOBSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@H]([C@@H]1CC(=O)NN1)C(C)(C)C 575553517 352649150 /nfs/dbraw/zinc/64/91/50/352649150.db2.gz ZQWZYBOIFQCJFC-RQJHMYQMSA-N 0 0 170.256 1.062 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@H]1[C@H]1CC12CC2 575553535 352649181 /nfs/dbraw/zinc/64/91/81/352649181.db2.gz ZUIPEMKXXDPXSN-BZNPZCIMSA-N 0 0 179.263 1.557 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1[C@@H]1CC12CC2 575553549 352649163 /nfs/dbraw/zinc/64/91/63/352649163.db2.gz ZUIPEMKXXDPXSN-XGEHTFHBSA-N 0 0 179.263 1.557 10 0 ADAERN C[C@@H]1CCC[C@H]([C@H]2CC(=O)NN2)C1 575553531 352649177 /nfs/dbraw/zinc/64/91/77/352649177.db2.gz ZUDQNJKNDFKYAA-HRDYMLBCSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@H]2CC(=O)NN2)C1 575553533 352649200 /nfs/dbraw/zinc/64/92/00/352649200.db2.gz ZUDQNJKNDFKYAA-IWSPIJDZSA-N 0 0 182.267 1.206 10 0 ADAERN CC(C)=CC(=O)N1CCCC(=O)C1 575553942 352650291 /nfs/dbraw/zinc/65/02/91/352650291.db2.gz BRQCNEHSKRZXJE-UHFFFAOYSA-N 0 0 181.235 1.144 10 0 ADAERN Cc1nnccc1C(=O)C1CCC1 575553974 352651153 /nfs/dbraw/zinc/65/11/53/352651153.db2.gz LRRNJZGQADWUAW-UHFFFAOYSA-N 0 0 176.219 1.768 10 0 ADAERN Cc1c[nH]c(N2C[C@@H](C)[C@@H]2C)n1 575554195 352651653 /nfs/dbraw/zinc/65/16/53/352651653.db2.gz BNLMJMCJWIITBU-SVRRBLITSA-N 0 0 165.240 1.563 10 0 ADAERN O=CNc1ccc2c(c1)CCN2 575554172 352651727 /nfs/dbraw/zinc/65/17/27/352651727.db2.gz OKXQFAKUACUPRY-UHFFFAOYSA-N 0 0 162.192 1.223 10 0 ADAERN O=C1CCCC[C@@]1(O)c1cnsc1 575554144 352651772 /nfs/dbraw/zinc/65/17/72/352651772.db2.gz DIBRHDUGUFGWED-SECBINFHSA-N 0 0 197.259 1.474 10 0 ADAERN O=C1CCCC[C@]1(O)c1cnsc1 575554146 352651793 /nfs/dbraw/zinc/65/17/93/352651793.db2.gz DIBRHDUGUFGWED-VIFPVBQESA-N 0 0 197.259 1.474 10 0 ADAERN O=C1CCCC[C@@]1(O)c1ccco1 575554244 352651802 /nfs/dbraw/zinc/65/18/02/352651802.db2.gz DXWDUBWVLPUCTL-JTQLQIEISA-N 0 0 180.203 1.610 10 0 ADAERN O=C1CCCC[C@]1(O)c1ccco1 575554246 352651855 /nfs/dbraw/zinc/65/18/55/352651855.db2.gz DXWDUBWVLPUCTL-SNVBAGLBSA-N 0 0 180.203 1.610 10 0 ADAERN Cc1c[nH]c(N2C[C@H](C)[C@@H]2C)n1 575554197 352651859 /nfs/dbraw/zinc/65/18/59/352651859.db2.gz BNLMJMCJWIITBU-XPUUQOCRSA-N 0 0 165.240 1.563 10 0 ADAERN CCC[C@]1(O)CCCCC1=O 575554129 352651963 /nfs/dbraw/zinc/65/19/63/352651963.db2.gz DAPUUZUXLBUUGO-VIFPVBQESA-N 0 0 156.225 1.661 10 0 ADAERN Cc1c[nH]c(N2C[C@H](C)[C@H]2C)n1 575554192 352652004 /nfs/dbraw/zinc/65/20/04/352652004.db2.gz BNLMJMCJWIITBU-POYBYMJQSA-N 0 0 165.240 1.563 10 0 ADAERN CCC[C@@]1(O)CCCCC1=O 575554128 352652011 /nfs/dbraw/zinc/65/20/11/352652011.db2.gz DAPUUZUXLBUUGO-SECBINFHSA-N 0 0 156.225 1.661 10 0 ADAERN Cc1c[nH]c(N2C[C@@H](C)[C@H]2C)n1 575554189 352652023 /nfs/dbraw/zinc/65/20/23/352652023.db2.gz BNLMJMCJWIITBU-HTRCEHHLSA-N 0 0 165.240 1.563 10 0 ADAERN O=C1N[C@@H]([C@H]2CC23CC3)C12CCC2 575554455 352652270 /nfs/dbraw/zinc/65/22/70/352652270.db2.gz DGWLGFBGODRRLG-SFYZADRCSA-N 0 0 177.247 1.455 10 0 ADAERN CC[C@@H]1CCC[C@]12NNC(=O)[C@H]2C 575554483 352652279 /nfs/dbraw/zinc/65/22/79/352652279.db2.gz FALXTKDAPNOIMX-NQMVMOMDSA-N 0 0 182.267 1.206 10 0 ADAERN O=C1C[C@](C2CCC2)(C2CC2)CN1 575554319 352652282 /nfs/dbraw/zinc/65/22/82/352652282.db2.gz ABFFURIZRBALBS-NSHDSACASA-N 0 0 179.263 1.703 10 0 ADAERN Cc1nnccc1C(=O)C1CC1 575554352 352652287 /nfs/dbraw/zinc/65/22/87/352652287.db2.gz RHFZPAWASVWERQ-UHFFFAOYSA-N 0 0 162.192 1.378 10 0 ADAERN O=C1N[C@H]([C@H]2CC23CC3)C12CCC2 575554450 352652332 /nfs/dbraw/zinc/65/23/32/352652332.db2.gz DGWLGFBGODRRLG-HTQZYQBOSA-N 0 0 177.247 1.455 10 0 ADAERN O=C1C[C@]2(CCCC23CC3)CN1 575554449 352652374 /nfs/dbraw/zinc/65/23/74/352652374.db2.gz DGPBJRIMSGDMKA-SNVBAGLBSA-N 0 0 165.236 1.457 10 0 ADAERN O=C1N[C@H]([C@@H]2CC23CC3)C12CCC2 575554452 352652392 /nfs/dbraw/zinc/65/23/92/352652392.db2.gz DGWLGFBGODRRLG-JGVFFNPUSA-N 0 0 177.247 1.455 10 0 ADAERN CSCCc1nccc(=S)[nH]1 575554298 352652645 /nfs/dbraw/zinc/65/26/45/352652645.db2.gz FPGTULHUPBQFQV-UHFFFAOYSA-N 0 0 186.305 1.671 10 0 ADAERN CC1(C)C[C@@]1(C)C1N=NC(=O)O1 575554440 352652415 /nfs/dbraw/zinc/65/24/15/352652415.db2.gz JXCFUPZSOZTZIJ-QMMMGPOBSA-N 0 0 168.196 1.463 10 0 ADAERN C[C@@H]1NC(=O)C[C@@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575554327 352652462 /nfs/dbraw/zinc/65/24/62/352652462.db2.gz ALZWSFRVOXQJHS-CIQUZCHMSA-N 0 0 179.263 1.557 10 0 ADAERN O=C1C[C@@](C2CCC2)(C2CC2)CN1 575554317 352652514 /nfs/dbraw/zinc/65/25/14/352652514.db2.gz ABFFURIZRBALBS-LLVKDONJSA-N 0 0 179.263 1.703 10 0 ADAERN CC(F)(F)C[C@H]1CCCCNC1=O 575554376 352652562 /nfs/dbraw/zinc/65/25/62/352652562.db2.gz AZGHZDUVSPFWST-SSDOTTSWSA-N 0 0 191.221 1.948 10 0 ADAERN O=C1C[C@@]2(CCCC23CC3)CN1 575554448 352652584 /nfs/dbraw/zinc/65/25/84/352652584.db2.gz DGPBJRIMSGDMKA-JTQLQIEISA-N 0 0 165.236 1.457 10 0 ADAERN CC(F)(F)C[C@@H]1CCCCNC1=O 575554380 352652614 /nfs/dbraw/zinc/65/26/14/352652614.db2.gz AZGHZDUVSPFWST-ZETCQYMHSA-N 0 0 191.221 1.948 10 0 ADAERN C[C@@H]1NC(=O)C[C@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575554329 352652621 /nfs/dbraw/zinc/65/26/21/352652621.db2.gz ALZWSFRVOXQJHS-GENCIFFESA-N 0 0 179.263 1.557 10 0 ADAERN CC[C@@H]1CCC[C@]12NNC(=O)[C@@H]2C 575554484 352652630 /nfs/dbraw/zinc/65/26/30/352652630.db2.gz FALXTKDAPNOIMX-QXFUBDJGSA-N 0 0 182.267 1.206 10 0 ADAERN CC[C@@H]1CCC[C@@]12NNC(=O)[C@H]2C 575554482 352652635 /nfs/dbraw/zinc/65/26/35/352652635.db2.gz FALXTKDAPNOIMX-MRTMQBJTSA-N 0 0 182.267 1.206 10 0 ADAERN CC[C@@H]1CCC[C@@]12NNC(=O)[C@@H]2C 575554485 352652681 /nfs/dbraw/zinc/65/26/81/352652681.db2.gz FALXTKDAPNOIMX-XKSSXDPKSA-N 0 0 182.267 1.206 10 0 ADAERN c1c[nH]c(N2CCCC3(CC3)C2)n1 575554408 352652685 /nfs/dbraw/zinc/65/26/85/352652685.db2.gz JNIVZPOUUZXLFW-UHFFFAOYSA-N 0 0 177.251 1.790 10 0 ADAERN O=C1N[C@@H]([C@@H]2CC23CC3)C12CCC2 575554456 352652691 /nfs/dbraw/zinc/65/26/91/352652691.db2.gz DGWLGFBGODRRLG-YUMQZZPRSA-N 0 0 177.247 1.455 10 0 ADAERN Cc1cn(CC(C)(F)F)c(=O)[nH]1 575554344 352652698 /nfs/dbraw/zinc/65/26/98/352652698.db2.gz HZCOFVVTIVZBIP-UHFFFAOYSA-N 0 0 176.166 1.552 10 0 ADAERN CC[C@H](C)[C@]1(O)CCCCC1=O 575554655 352652903 /nfs/dbraw/zinc/65/29/03/352652903.db2.gz GMSKJRZEZJORLC-WCBMZHEXSA-N 0 0 170.252 1.907 10 0 ADAERN CC[C@@H](C)[C@@]1(O)CCCCC1=O 575554654 352652911 /nfs/dbraw/zinc/65/29/11/352652911.db2.gz GMSKJRZEZJORLC-SCZZXKLOSA-N 0 0 170.252 1.907 10 0 ADAERN O=C1C[C@@]2(CCCC23CCC3)NN1 575554511 352652988 /nfs/dbraw/zinc/65/29/88/352652988.db2.gz FETJBUAERDGMCR-SNVBAGLBSA-N 0 0 180.251 1.104 10 0 ADAERN C[C@@H]1CCN1c1ncc[nH]1 575554500 352652990 /nfs/dbraw/zinc/65/29/90/352652990.db2.gz MQXDRKZJBMWKAN-ZCFIWIBFSA-N 0 0 137.186 1.008 10 0 ADAERN C[C@H]1CCN1c1ncc[nH]1 575554499 352653009 /nfs/dbraw/zinc/65/30/09/352653009.db2.gz MQXDRKZJBMWKAN-LURJTMIESA-N 0 0 137.186 1.008 10 0 ADAERN CCc1c[nH]c(N2CC(C)C2)n1 575554562 352653053 /nfs/dbraw/zinc/65/30/53/352653053.db2.gz OLLGUPMSGVPFFA-UHFFFAOYSA-N 0 0 165.240 1.428 10 0 ADAERN S=c1[nH]nc([C@]23CCCC[C@H]2C3)[nH]1 575554531 352653092 /nfs/dbraw/zinc/65/30/92/352653092.db2.gz NSBMVJBMFCRRSZ-RCOVLWMOSA-N 0 0 195.291 1.925 10 0 ADAERN S=c1[nH]nc([C@@]23CCCC[C@@H]2C3)[nH]1 575554528 352653105 /nfs/dbraw/zinc/65/31/05/352653105.db2.gz NSBMVJBMFCRRSZ-HZGVNTEJSA-N 0 0 195.291 1.925 10 0 ADAERN CC[C@@H](C)[C@]1(O)CCCCC1=O 575554653 352653194 /nfs/dbraw/zinc/65/31/94/352653194.db2.gz GMSKJRZEZJORLC-PSASIEDQSA-N 0 0 170.252 1.907 10 0 ADAERN O=C1C[C@]2(CCCC23CCC3)NN1 575554508 352653232 /nfs/dbraw/zinc/65/32/32/352653232.db2.gz FETJBUAERDGMCR-JTQLQIEISA-N 0 0 180.251 1.104 10 0 ADAERN Cc1nc([C@@H](O)C2CCC2)[nH]c1C 575554512 352653288 /nfs/dbraw/zinc/65/32/88/352653288.db2.gz MTBBUMFDWGOGKU-VIFPVBQESA-N 0 0 180.251 1.860 10 0 ADAERN CC[C@H](C)[C@@]1(O)CCCCC1=O 575554656 352653312 /nfs/dbraw/zinc/65/33/12/352653312.db2.gz GMSKJRZEZJORLC-WPRPVWTQSA-N 0 0 170.252 1.907 10 0 ADAERN CC[C@@H]1CC[C@]2(C1)NNC(=O)[C@@H]2C 575554840 352653627 /nfs/dbraw/zinc/65/36/27/352653627.db2.gz GTEBJDJPEIQLQQ-QXFUBDJGSA-N 0 0 182.267 1.206 10 0 ADAERN Cc1c[nH]c([C@H](O)c2cccs2)n1 575554854 352653656 /nfs/dbraw/zinc/65/36/56/352653656.db2.gz BYHHLHNPBZUINY-MRVPVSSYSA-N 0 0 194.259 1.861 10 0 ADAERN O=C1CCCC[C@@]1(O)C1=COCC1 575554846 352653695 /nfs/dbraw/zinc/65/36/95/352653695.db2.gz HFTGMULIBAOAMT-SNVBAGLBSA-N 0 0 182.219 1.165 10 0 ADAERN Cc1c[nH]c(-c2cncc(F)c2)n1 575554788 352653700 /nfs/dbraw/zinc/65/37/00/352653700.db2.gz AWGJNCRLYOUKRO-UHFFFAOYSA-N 0 0 177.182 1.919 10 0 ADAERN CC[C@@H]1CC[C@@]2(C1)NNC(=O)[C@@H]2C 575554841 352653728 /nfs/dbraw/zinc/65/37/28/352653728.db2.gz GTEBJDJPEIQLQQ-XKSSXDPKSA-N 0 0 182.267 1.206 10 0 ADAERN O=C1CCCC[C@]1(O)C1=COCC1 575554845 352653833 /nfs/dbraw/zinc/65/38/33/352653833.db2.gz HFTGMULIBAOAMT-JTQLQIEISA-N 0 0 182.219 1.165 10 0 ADAERN CC[C@@H]1CC[C@@]2(C1)NNC(=O)[C@H]2C 575554837 352653846 /nfs/dbraw/zinc/65/38/46/352653846.db2.gz GTEBJDJPEIQLQQ-MRTMQBJTSA-N 0 0 182.267 1.206 10 0 ADAERN CC[C@@H]1CC[C@]2(C1)NNC(=O)[C@H]2C 575554839 352653889 /nfs/dbraw/zinc/65/38/89/352653889.db2.gz GTEBJDJPEIQLQQ-NQMVMOMDSA-N 0 0 182.267 1.206 10 0 ADAERN CC1CC([NH3+])(c2cncn2C)C1 575554842 352653936 /nfs/dbraw/zinc/65/39/36/352653936.db2.gz HFCHXTBTNISOBC-UHFFFAOYSA-N 0 0 165.240 1.004 10 0 ADAERN O=C1CCCC[C@]1(O)c1ccns1 575554882 352654398 /nfs/dbraw/zinc/65/43/98/352654398.db2.gz HROBHYAYEIFKPP-SECBINFHSA-N 0 0 197.259 1.474 10 0 ADAERN C[C@@H]1C(=O)NC[C@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575554962 352654403 /nfs/dbraw/zinc/65/44/03/352654403.db2.gz IECJQDRRERNBLL-GENCIFFESA-N 0 0 179.263 1.415 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575554961 352654425 /nfs/dbraw/zinc/65/44/25/352654425.db2.gz IECJQDRRERNBLL-CIQUZCHMSA-N 0 0 179.263 1.415 10 0 ADAERN Cc1cc(NC#N)c(C)cc1O 575554908 352654440 /nfs/dbraw/zinc/65/44/40/352654440.db2.gz HMYNCMRSDAYVHL-UHFFFAOYSA-N 0 0 162.192 1.902 10 0 ADAERN O=C1CCCC[C@@]1(O)c1ccns1 575554883 352654502 /nfs/dbraw/zinc/65/45/02/352654502.db2.gz HROBHYAYEIFKPP-VIFPVBQESA-N 0 0 197.259 1.474 10 0 ADAERN CC1(C)C[C@@]1(C)CN1CCNC1=O 575555069 352655007 /nfs/dbraw/zinc/65/50/07/352655007.db2.gz KOVXEFHWFHSBGQ-JTQLQIEISA-N 0 0 182.267 1.448 10 0 ADAERN O=C1CC2(CCC3(CC3)CC2)NN1 575555089 352655013 /nfs/dbraw/zinc/65/50/13/352655013.db2.gz LFPRNWZARLNQFG-UHFFFAOYSA-N 0 0 180.251 1.104 10 0 ADAERN CCc1nc(C2CC(C)C2)n[nH]1 575555141 352655017 /nfs/dbraw/zinc/65/50/17/352655017.db2.gz YITWKIHMCIRNKA-UHFFFAOYSA-N 0 0 165.240 1.881 10 0 ADAERN O=C1C[C@]2(CCCC23CC3)N1 575555365 352655596 /nfs/dbraw/zinc/65/55/96/352655596.db2.gz LUKDDPVJINHRSD-VIFPVBQESA-N 0 0 151.209 1.209 10 0 ADAERN CC1(C)COc2ccc(NN)cc21 575555323 352655634 /nfs/dbraw/zinc/65/56/34/352655634.db2.gz AJMFTOMJHJXBEY-UHFFFAOYSA-N 0 0 178.235 1.642 10 0 ADAERN C[C@H](NN)C1CCC2(CC1)CC2 575555341 352655689 /nfs/dbraw/zinc/65/56/89/352655689.db2.gz ASRCLYLALMDIEJ-QMMMGPOBSA-N 0 0 168.284 1.809 10 0 ADAERN O=C1C[C@@]2(CCCC23CC3)N1 575555364 352655713 /nfs/dbraw/zinc/65/57/13/352655713.db2.gz LUKDDPVJINHRSD-SECBINFHSA-N 0 0 151.209 1.209 10 0 ADAERN C[C@@H](NN)C1CCC2(CC1)CC2 575555339 352655820 /nfs/dbraw/zinc/65/58/20/352655820.db2.gz ASRCLYLALMDIEJ-MRVPVSSYSA-N 0 0 168.284 1.809 10 0 ADAERN O=C1CCCC[C@@]1(O)c1ccoc1 575555271 352655851 /nfs/dbraw/zinc/65/58/51/352655851.db2.gz JRBZVJOIDUMTFJ-SNVBAGLBSA-N 0 0 180.203 1.610 10 0 ADAERN O=C1CCCC[C@]1(O)c1ccoc1 575555270 352655858 /nfs/dbraw/zinc/65/58/58/352655858.db2.gz JRBZVJOIDUMTFJ-JTQLQIEISA-N 0 0 180.203 1.610 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2cccs2)n1 575555303 352655909 /nfs/dbraw/zinc/65/59/09/352655909.db2.gz BYHHLHNPBZUINY-QMMMGPOBSA-N 0 0 194.259 1.861 10 0 ADAERN C[C@H]1NC(=O)C[C@]12CCCC21CC1 575555564 352656222 /nfs/dbraw/zinc/65/62/22/352656222.db2.gz PCXJIFCIBIHCPY-LDYMZIIASA-N 0 0 179.263 1.845 10 0 ADAERN C[C@H]1CC(C)(C)C[C@]12CC(=O)NN2 575555566 352656227 /nfs/dbraw/zinc/65/62/27/352656227.db2.gz PDTMOBUZLBXTSV-OIBJUYFYSA-N 0 0 182.267 1.206 10 0 ADAERN O=c1ccnc2s[nH]cc1-2 575555499 352656237 /nfs/dbraw/zinc/65/62/37/352656237.db2.gz GGXKCLTWFRFWDZ-UHFFFAOYSA-N 0 0 152.178 1.397 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]12CC(=O)NN2 575555572 352656242 /nfs/dbraw/zinc/65/62/42/352656242.db2.gz PDTMOBUZLBXTSV-XVKPBYJWSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1COC[C@H]1[C@@H](O)c1cc[nH]c1 575555550 352656258 /nfs/dbraw/zinc/65/62/58/352656258.db2.gz ISVXNGGSAUBHHW-QNSHHTMESA-N 0 0 181.235 1.331 10 0 ADAERN C[C@@H]1C(=O)NN[C@@]12CCCC2(C)C 575555591 352656281 /nfs/dbraw/zinc/65/62/81/352656281.db2.gz PLIYUTMHUNXXEN-XCBNKYQSSA-N 0 0 182.267 1.206 10 0 ADAERN O=c1[nH][nH]c(=S)n1[C@@]12CCC[C@@H]1C2 575555502 352656286 /nfs/dbraw/zinc/65/62/86/352656286.db2.gz GLXWVJSGMRUZKY-SVGQVSJJSA-N 0 0 197.263 1.172 10 0 ADAERN c1c[nH]c(N2C[C@@H]3CCCC[C@H]32)n1 575555580 352656296 /nfs/dbraw/zinc/65/62/96/352656296.db2.gz JZKASYQBKXHDNH-DTWKUNHWSA-N 0 0 177.251 1.789 10 0 ADAERN C[C@@H]1NC(=O)C[C@]12CCCC21CC1 575555555 352656313 /nfs/dbraw/zinc/65/63/13/352656313.db2.gz PCXJIFCIBIHCPY-GZMMTYOYSA-N 0 0 179.263 1.845 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]12CCCC21CC1 575555562 352656320 /nfs/dbraw/zinc/65/63/20/352656320.db2.gz PCXJIFCIBIHCPY-KWQFWETISA-N 0 0 179.263 1.845 10 0 ADAERN C[C@H]1NC(=O)C[C@@]12CCCC21CC1 575555557 352656337 /nfs/dbraw/zinc/65/63/37/352656337.db2.gz PCXJIFCIBIHCPY-KCJUWKMLSA-N 0 0 179.263 1.845 10 0 ADAERN Cn1cnc(-c2cc(=S)cc[nH]2)c1 575555506 352656348 /nfs/dbraw/zinc/65/63/48/352656348.db2.gz GNJXFDJIKFYZQV-UHFFFAOYSA-N 0 0 191.259 1.771 10 0 ADAERN C[C@H]1C(=O)NN[C@]12CCCC2(C)C 575555590 352656356 /nfs/dbraw/zinc/65/63/56/352656356.db2.gz PLIYUTMHUNXXEN-OIBJUYFYSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1COC[C@@H]1[C@@H](O)c1cc[nH]c1 575555549 352656360 /nfs/dbraw/zinc/65/63/60/352656360.db2.gz ISVXNGGSAUBHHW-JEZHCXPESA-N 0 0 181.235 1.331 10 0 ADAERN C[C@@H]1C(=O)NN[C@]12CCCC2(C)C 575555588 352656366 /nfs/dbraw/zinc/65/63/66/352656366.db2.gz PLIYUTMHUNXXEN-GMSGAONNSA-N 0 0 182.267 1.206 10 0 ADAERN O=C1CC[C@H](C[C@@H]2C[C@H]3C[C@H]3C2)N1 575555415 352656408 /nfs/dbraw/zinc/65/64/08/352656408.db2.gz MJDCAPGELQGHKM-UTINFBMNSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@@H]1COC[C@H]1[C@H](O)c1cc[nH]c1 575555551 352656453 /nfs/dbraw/zinc/65/64/53/352656453.db2.gz ISVXNGGSAUBHHW-SZEHBUNVSA-N 0 0 181.235 1.331 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]12CC(=O)NN2 575555565 352656460 /nfs/dbraw/zinc/65/64/60/352656460.db2.gz PDTMOBUZLBXTSV-GMSGAONNSA-N 0 0 182.267 1.206 10 0 ADAERN CC(F)(F)C[C@H]1CCNC1=O 575555531 352656471 /nfs/dbraw/zinc/65/64/71/352656471.db2.gz OQAIPKXQSBMMGS-RXMQYKEDSA-N 0 0 163.167 1.168 10 0 ADAERN O=C1CC[C@@H](C[C@@H]2C[C@H]3C[C@H]3C2)N1 575555412 352656492 /nfs/dbraw/zinc/65/64/92/352656492.db2.gz MJDCAPGELQGHKM-JXUBOQSCSA-N 0 0 179.263 1.701 10 0 ADAERN c1c[nH]c(N2C[C@H]3CCCC[C@H]32)n1 575555582 352656520 /nfs/dbraw/zinc/65/65/20/352656520.db2.gz JZKASYQBKXHDNH-RKDXNWHRSA-N 0 0 177.251 1.789 10 0 ADAERN C[C@H]1C(=O)NN[C@@]12CCCC2(C)C 575555592 352656526 /nfs/dbraw/zinc/65/65/26/352656526.db2.gz PLIYUTMHUNXXEN-XVKPBYJWSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@]12CC(=O)NN2 575555569 352656529 /nfs/dbraw/zinc/65/65/29/352656529.db2.gz PDTMOBUZLBXTSV-XCBNKYQSSA-N 0 0 182.267 1.206 10 0 ADAERN CC(F)(F)C[C@@H]1CCNC1=O 575555532 352656538 /nfs/dbraw/zinc/65/65/38/352656538.db2.gz OQAIPKXQSBMMGS-YFKPBYRVSA-N 0 0 163.167 1.168 10 0 ADAERN C[C@@H]1COC[C@@H]1[C@H](O)c1cc[nH]c1 575555548 352656547 /nfs/dbraw/zinc/65/65/47/352656547.db2.gz ISVXNGGSAUBHHW-FKTZTGRPSA-N 0 0 181.235 1.331 10 0 ADAERN O=c1[nH][nH]c(=S)n1[C@]12CCC[C@H]1C2 575555503 352656563 /nfs/dbraw/zinc/65/65/63/352656563.db2.gz GLXWVJSGMRUZKY-XNCJUZBTSA-N 0 0 197.263 1.172 10 0 ADAERN c1c[nH]c(N2C[C@@H]3CCCC[C@@H]32)n1 575555581 352656604 /nfs/dbraw/zinc/65/66/04/352656604.db2.gz JZKASYQBKXHDNH-IUCAKERBSA-N 0 0 177.251 1.789 10 0 ADAERN c1c[nH]c(N2C[C@H]3CCCC[C@@H]32)n1 575555579 352656621 /nfs/dbraw/zinc/65/66/21/352656621.db2.gz JZKASYQBKXHDNH-BDAKNGLRSA-N 0 0 177.251 1.789 10 0 ADAERN N#CNc1c(O)cccc1F 575555407 352656647 /nfs/dbraw/zinc/65/66/47/352656647.db2.gz MEGJTUBPMPHACX-UHFFFAOYSA-N 0 0 152.128 1.424 10 0 ADAERN C[C@@H]1C(=O)NC[C@]12CCCC21CC1 575555730 352656894 /nfs/dbraw/zinc/65/68/94/352656894.db2.gz RHLKPRULNBJVPW-LDYMZIIASA-N 0 0 179.263 1.703 10 0 ADAERN O=C1CC[C@@]2(CCCC23CC3)CN1 575555772 352656900 /nfs/dbraw/zinc/65/69/00/352656900.db2.gz RQTPUCCQNRWHMG-NSHDSACASA-N 0 0 179.263 1.847 10 0 ADAERN C[C@@H]1C(=O)NN[C@]12CCC[C@@H](C)C2 575555777 352656908 /nfs/dbraw/zinc/65/69/08/352656908.db2.gz RXMPDOTXZOAVRL-MRTMQBJTSA-N 0 0 182.267 1.206 10 0 ADAERN CC1(C)C(=O)N[C@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575555665 352656955 /nfs/dbraw/zinc/65/69/55/352656955.db2.gz QMYFCBYVYUWTQY-KZVJFYERSA-N 0 0 179.263 1.557 10 0 ADAERN O=C1CC[C@]2(CCCC23CC3)CN1 575555771 352656993 /nfs/dbraw/zinc/65/69/93/352656993.db2.gz RQTPUCCQNRWHMG-LLVKDONJSA-N 0 0 179.263 1.847 10 0 ADAERN C[C@@H]1C(=O)NN[C@@]12CCC[C@@H](C)C2 575555779 352657021 /nfs/dbraw/zinc/65/70/21/352657021.db2.gz RXMPDOTXZOAVRL-NQMVMOMDSA-N 0 0 182.267 1.206 10 0 ADAERN CC1(C)C(=O)N[C@@H]1[C@H]1C[C@@H]2C[C@@H]2C1 575555664 352657059 /nfs/dbraw/zinc/65/70/59/352657059.db2.gz QMYFCBYVYUWTQY-BZNPZCIMSA-N 0 0 179.263 1.557 10 0 ADAERN O=C1CCCC[C@]1(O)C1=CCCO1 575555666 352657062 /nfs/dbraw/zinc/65/70/62/352657062.db2.gz LSLRXTLQQPLGFR-SNVBAGLBSA-N 0 0 182.219 1.165 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)NNC(=O)[C@@H]2C 575555776 352657065 /nfs/dbraw/zinc/65/70/65/352657065.db2.gz RXMPDOTXZOAVRL-KHQFGBGNSA-N 0 0 182.267 1.206 10 0 ADAERN O=C1CCCC[C@@]1(O)C1=CCCO1 575555663 352657112 /nfs/dbraw/zinc/65/71/12/352657112.db2.gz LSLRXTLQQPLGFR-JTQLQIEISA-N 0 0 182.219 1.165 10 0 ADAERN C[C@H]1C(=O)NC[C@]12CCCC21CC1 575555724 352657127 /nfs/dbraw/zinc/65/71/27/352657127.db2.gz RHLKPRULNBJVPW-GZMMTYOYSA-N 0 0 179.263 1.703 10 0 ADAERN C[C@@H]1C(=O)NC[C@@]12CCCC21CC1 575555725 352657136 /nfs/dbraw/zinc/65/71/36/352657136.db2.gz RHLKPRULNBJVPW-KCJUWKMLSA-N 0 0 179.263 1.703 10 0 ADAERN C[C@H]1C(=O)NC[C@@]12CCCC21CC1 575555728 352657215 /nfs/dbraw/zinc/65/72/15/352657215.db2.gz RHLKPRULNBJVPW-KWQFWETISA-N 0 0 179.263 1.703 10 0 ADAERN CC1CCC2(CC1)NNC(=O)[C@@H]2C 575555671 352657247 /nfs/dbraw/zinc/65/72/47/352657247.db2.gz QTPBNFOZVHUKLY-ZCUBBSJVSA-N 0 0 182.267 1.206 10 0 ADAERN CC1CCC2(CC1)NNC(=O)[C@H]2C 575555669 352657250 /nfs/dbraw/zinc/65/72/50/352657250.db2.gz QTPBNFOZVHUKLY-CCNFQMFXSA-N 0 0 182.267 1.206 10 0 ADAERN C/C=C/[C@@H](NC)c1cscn1 575555793 352657697 /nfs/dbraw/zinc/65/76/97/352657697.db2.gz BVIXFEGDEOWLED-KGGZQZJCSA-N 0 0 168.265 1.980 10 0 ADAERN O=C1CCCC[C@]1(O)C(F)F 575555817 352657713 /nfs/dbraw/zinc/65/77/13/352657713.db2.gz MOOPDXMRPVYPDT-SSDOTTSWSA-N 0 0 164.151 1.126 10 0 ADAERN C/C=C/[C@H](NC)c1cscn1 575555794 352657724 /nfs/dbraw/zinc/65/77/24/352657724.db2.gz BVIXFEGDEOWLED-SDLBARTOSA-N 0 0 168.265 1.980 10 0 ADAERN C[C@@H](c1ccc(O)cc1)N(C)C#N 575555849 352657775 /nfs/dbraw/zinc/65/77/75/352657775.db2.gz SSTNUYXDXAUMQQ-QMMMGPOBSA-N 0 0 176.219 1.866 10 0 ADAERN O=C1CCCC[C@@]1(O)C(F)F 575555828 352657804 /nfs/dbraw/zinc/65/78/04/352657804.db2.gz MOOPDXMRPVYPDT-ZETCQYMHSA-N 0 0 164.151 1.126 10 0 ADAERN C/C=C/[C@H](N)c1ncccn1 575555873 352657835 /nfs/dbraw/zinc/65/78/35/352657835.db2.gz DCMYUXWPDILCDC-XBBYQOBLSA-N 0 0 149.197 1.053 10 0 ADAERN C[C@H](c1ccc(O)cc1)N(C)C#N 575555846 352657843 /nfs/dbraw/zinc/65/78/43/352657843.db2.gz SSTNUYXDXAUMQQ-MRVPVSSYSA-N 0 0 176.219 1.866 10 0 ADAERN C[C@H](N1CCNC1=O)C1(C)CC1 575555900 352657856 /nfs/dbraw/zinc/65/78/56/352657856.db2.gz UDXWIEILWCQAKH-ZETCQYMHSA-N 0 0 168.240 1.200 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)NNC(=O)[C@@H]2C 575555782 352657867 /nfs/dbraw/zinc/65/78/67/352657867.db2.gz RXMPDOTXZOAVRL-WEDXCCLWSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H](N1CCNC1=O)C1(C)CC1 575555898 352657868 /nfs/dbraw/zinc/65/78/68/352657868.db2.gz UDXWIEILWCQAKH-SSDOTTSWSA-N 0 0 168.240 1.200 10 0 ADAERN C/C=C/[C@@H](N)c1ncccn1 575555872 352657881 /nfs/dbraw/zinc/65/78/81/352657881.db2.gz DCMYUXWPDILCDC-NUOXCJHRSA-N 0 0 149.197 1.053 10 0 ADAERN CC(C)C1CC2(C1)NNC(=O)[C@H]2C 575556094 352658300 /nfs/dbraw/zinc/65/83/00/352658300.db2.gz UQQJBBBSESGWTM-ZNFPMYQNSA-N 0 0 182.267 1.062 10 0 ADAERN C[C@@H]1CCCC[C@@]12NNC(=O)[C@@H]2C 575556112 352658315 /nfs/dbraw/zinc/65/83/15/352658315.db2.gz UWDZVCKEVBXQAV-KHQFGBGNSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1CCCC[C@]12NNC(=O)[C@@H]2C 575556117 352658364 /nfs/dbraw/zinc/65/83/64/352658364.db2.gz UWDZVCKEVBXQAV-WEDXCCLWSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1C(=O)NN[C@@]12CCCC[C@H]2C 575556115 352658420 /nfs/dbraw/zinc/65/84/20/352658420.db2.gz UWDZVCKEVBXQAV-NQMVMOMDSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1C(=O)NN[C@]12CCCC[C@H]2C 575556114 352658542 /nfs/dbraw/zinc/65/85/42/352658542.db2.gz UWDZVCKEVBXQAV-MRTMQBJTSA-N 0 0 182.267 1.206 10 0 ADAERN CC(C)C1CC2(C1)NNC(=O)[C@@H]2C 575556093 352658614 /nfs/dbraw/zinc/65/86/14/352658614.db2.gz UQQJBBBSESGWTM-JEUQWKINSA-N 0 0 182.267 1.062 10 0 ADAERN C[C@H]1C(=O)NN[C@]12CCC(C)(C)C2 575556288 352659058 /nfs/dbraw/zinc/65/90/58/352659058.db2.gz WHCVASDUSFAWKL-XVKPBYJWSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1C(=O)NN[C@]12CCC(C)(C)C2 575556287 352659238 /nfs/dbraw/zinc/65/92/38/352659238.db2.gz WHCVASDUSFAWKL-XCBNKYQSSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@H]1C(=O)NN[C@@]12CCC(C)(C)C2 575556285 352659266 /nfs/dbraw/zinc/65/92/66/352659266.db2.gz WHCVASDUSFAWKL-OIBJUYFYSA-N 0 0 182.267 1.206 10 0 ADAERN C[C@@H]1C(=O)NN[C@@]12CCC(C)(C)C2 575556284 352659310 /nfs/dbraw/zinc/65/93/10/352659310.db2.gz WHCVASDUSFAWKL-GMSGAONNSA-N 0 0 182.267 1.206 10 0 ADAERN O=C1CCCC[C@]1(O)c1ccc[nH]1 575556323 352659733 /nfs/dbraw/zinc/65/97/33/352659733.db2.gz PGDQXFGRVIITPE-JTQLQIEISA-N 0 0 179.219 1.345 10 0 ADAERN CC1(C)C[C@@]1(C)N1CCNC1=O 575556398 352659794 /nfs/dbraw/zinc/65/97/94/352659794.db2.gz XQGCLYSGXCGDCN-SECBINFHSA-N 0 0 168.240 1.200 10 0 ADAERN N#CNc1ccc(O)cc1F 575556369 352659819 /nfs/dbraw/zinc/65/98/19/352659819.db2.gz XARHPCXQQOMWDD-UHFFFAOYSA-N 0 0 152.128 1.424 10 0 ADAERN CO[C@H]1C[C@H](Nc2ccncn2)C1 575556425 352659833 /nfs/dbraw/zinc/65/98/33/352659833.db2.gz HPUNWIQGUXAGMC-ZKCHVHJHSA-N 0 0 179.223 1.066 10 0 ADAERN C[C@H]1C[C@@]1(C)CN1CCNC1=O 575556391 352659848 /nfs/dbraw/zinc/65/98/48/352659848.db2.gz XPSGXKAMKAFWIC-CBAPKCEASA-N 0 0 168.240 1.058 10 0 ADAERN C[C@@H]1C[C@@]1(C)CN1CCNC1=O 575556389 352659876 /nfs/dbraw/zinc/65/98/76/352659876.db2.gz XPSGXKAMKAFWIC-APPZFPTMSA-N 0 0 168.240 1.058 10 0 ADAERN O=C1CCCC[C@@]1(O)c1ccc[nH]1 575556329 352659893 /nfs/dbraw/zinc/65/98/93/352659893.db2.gz PGDQXFGRVIITPE-SNVBAGLBSA-N 0 0 179.219 1.345 10 0 ADAERN C[C@@H]1C[C@]1(C)CN1CCNC1=O 575556396 352659945 /nfs/dbraw/zinc/65/99/45/352659945.db2.gz XPSGXKAMKAFWIC-VXNVDRBHSA-N 0 0 168.240 1.058 10 0 ADAERN C[C@H]1C[C@]1(C)CN1CCNC1=O 575556394 352659965 /nfs/dbraw/zinc/65/99/65/352659965.db2.gz XPSGXKAMKAFWIC-IONNQARKSA-N 0 0 168.240 1.058 10 0 ADAERN CC1(C)C[C@]1(C)N1CCNC1=O 575556400 352659996 /nfs/dbraw/zinc/65/99/96/352659996.db2.gz XQGCLYSGXCGDCN-VIFPVBQESA-N 0 0 168.240 1.200 10 0 ADAERN CC1CN(C2=NC(=O)CS2)C1 575564411 352695685 /nfs/dbraw/zinc/69/56/85/352695685.db2.gz NVTTYLADJLPJJF-UHFFFAOYSA-N 0 0 170.237 1.305 10 0 ADAERN CC[C@@]1(C2CCC2)NNC(=O)[C@@H]1C 575556724 352661019 /nfs/dbraw/zinc/66/10/19/352661019.db2.gz ZUWFQKIPCOPFKY-OIBJUYFYSA-N 0 0 182.267 1.206 10 0 ADAERN Cc1cc(O)cc(NC2COC2)c1 575556670 352661123 /nfs/dbraw/zinc/66/11/23/352661123.db2.gz KDVDUONOQFBNJV-UHFFFAOYSA-N 0 0 179.219 1.511 10 0 ADAERN CC[C@@]1(C2CCC2)NNC(=O)[C@H]1C 575556721 352661183 /nfs/dbraw/zinc/66/11/83/352661183.db2.gz ZUWFQKIPCOPFKY-GMSGAONNSA-N 0 0 182.267 1.206 10 0 ADAERN CC[C@]1(C2CCC2)NNC(=O)[C@@H]1C 575556728 352661211 /nfs/dbraw/zinc/66/12/11/352661211.db2.gz ZUWFQKIPCOPFKY-XVKPBYJWSA-N 0 0 182.267 1.206 10 0 ADAERN CC(C)[C@]1(C2CC2)COC(=O)N1 575556889 352661776 /nfs/dbraw/zinc/66/17/76/352661776.db2.gz DOTKDYSLGXLCSM-VIFPVBQESA-N 0 0 169.224 1.531 10 0 ADAERN CC1(C)C[C@@H]1/C=C1/CC(=O)NC1=O 575556969 352661784 /nfs/dbraw/zinc/66/17/84/352661784.db2.gz AFWZNLLROZTBHX-NFNQMPKISA-N 0 0 179.219 1.005 10 0 ADAERN CC(C)[C@@]1(C2CC2)COC(=O)N1 575556887 352661841 /nfs/dbraw/zinc/66/18/41/352661841.db2.gz DOTKDYSLGXLCSM-SECBINFHSA-N 0 0 169.224 1.531 10 0 ADAERN CC1(C)C[C@H]1/C=C1/CC(=O)NC1=O 575556968 352661854 /nfs/dbraw/zinc/66/18/54/352661854.db2.gz AFWZNLLROZTBHX-FXHNIGACSA-N 0 0 179.219 1.005 10 0 ADAERN Cc1ccc(O)cc1NC(N)=O 575556994 352662135 /nfs/dbraw/zinc/66/21/35/352662135.db2.gz BBUGREFJPDGIOP-UHFFFAOYSA-N 0 0 166.180 1.191 10 0 ADAERN O[C@H](c1cc[nH]c1)[C@@]12COC[C@@H]1C2 575557092 352662192 /nfs/dbraw/zinc/66/21/92/352662192.db2.gz VAABIWKXKDWAIZ-AEJSXWLSSA-N 0 0 179.219 1.085 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1COC(=O)N1 575557028 352662220 /nfs/dbraw/zinc/66/22/20/352662220.db2.gz CIPPTSQKTNDKTN-RITPCOANSA-N 0 0 155.197 1.141 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1COC(=O)N1 575557027 352662346 /nfs/dbraw/zinc/66/23/46/352662346.db2.gz CIPPTSQKTNDKTN-PHDIDXHHSA-N 0 0 155.197 1.141 10 0 ADAERN O[C@H](c1cc[nH]c1)[C@]12COC[C@H]1C2 575557095 352662388 /nfs/dbraw/zinc/66/23/88/352662388.db2.gz VAABIWKXKDWAIZ-OPRDCNLKSA-N 0 0 179.219 1.085 10 0 ADAERN CC1(C)C[C@H]1[C@@H]1COC(=O)N1 575557029 352662572 /nfs/dbraw/zinc/66/25/72/352662572.db2.gz CIPPTSQKTNDKTN-WDSKDSINSA-N 0 0 155.197 1.141 10 0 ADAERN CC1(C)C[C@H]1[C@H]1COC(=O)N1 575557026 352662578 /nfs/dbraw/zinc/66/25/78/352662578.db2.gz CIPPTSQKTNDKTN-NTSWFWBYSA-N 0 0 155.197 1.141 10 0 ADAERN Cc1cn(Cc2cncs2)c(=O)[nH]1 575557293 352663117 /nfs/dbraw/zinc/66/31/17/352663117.db2.gz XJZNIZORTNKYQC-UHFFFAOYSA-N 0 0 195.247 1.402 10 0 ADAERN O=C1CSC(N2CC[C@@H]3C[C@@H]3C2)=N1 575557430 352663511 /nfs/dbraw/zinc/66/35/11/352663511.db2.gz YOZROSZIRWNDJS-RNFRBKRXSA-N 0 0 196.275 1.695 10 0 ADAERN O=C1CSC(N2CC[C@H]3C[C@H]3C2)=N1 575557414 352663891 /nfs/dbraw/zinc/66/38/91/352663891.db2.gz YOZROSZIRWNDJS-BQBZGAKWSA-N 0 0 196.275 1.695 10 0 ADAERN C[C@@H]1CCCCN(C[C@@H]2CO2)C1=O 575557521 352664377 /nfs/dbraw/zinc/66/43/77/352664377.db2.gz FNVWBWWVTTUSNC-RKDXNWHRSA-N 0 0 183.251 1.034 10 0 ADAERN C[C@H]1CCCCN(C[C@@H]2CO2)C1=O 575557516 352664404 /nfs/dbraw/zinc/66/44/04/352664404.db2.gz FNVWBWWVTTUSNC-DTWKUNHWSA-N 0 0 183.251 1.034 10 0 ADAERN C[C@H]1CCCCN(C[C@H]2CO2)C1=O 575557519 352664460 /nfs/dbraw/zinc/66/44/60/352664460.db2.gz FNVWBWWVTTUSNC-IUCAKERBSA-N 0 0 183.251 1.034 10 0 ADAERN CC1(C)COc2cc(NN)ccc21 575557564 352664463 /nfs/dbraw/zinc/66/44/63/352664463.db2.gz DTCWBYFBYWITLV-UHFFFAOYSA-N 0 0 178.235 1.642 10 0 ADAERN O=C1CCCC[C@@]1(O)C(F)(F)F 575557488 352664475 /nfs/dbraw/zinc/66/44/75/352664475.db2.gz URKFZTIKWHYLCF-LURJTMIESA-N 0 0 182.141 1.423 10 0 ADAERN O=C1CCCC[C@]1(O)C(F)(F)F 575557490 352664509 /nfs/dbraw/zinc/66/45/09/352664509.db2.gz URKFZTIKWHYLCF-ZCFIWIBFSA-N 0 0 182.141 1.423 10 0 ADAERN C[C@@H]1CCCCN(C[C@H]2CO2)C1=O 575557515 352664550 /nfs/dbraw/zinc/66/45/50/352664550.db2.gz FNVWBWWVTTUSNC-BDAKNGLRSA-N 0 0 183.251 1.034 10 0 ADAERN C[C@H](NN)[C@@H]1CCCC2(CC2)C1 575557693 352665020 /nfs/dbraw/zinc/66/50/20/352665020.db2.gz GLMMEFNAIYCEQM-DTWKUNHWSA-N 0 0 168.284 1.809 10 0 ADAERN C/C=C/[C@H](NN)[C@H]1C[C@H]1C 575557718 352665026 /nfs/dbraw/zinc/66/50/26/352665026.db2.gz GYIPGEITVWCCMD-CWDMSPMMSA-N 0 0 140.230 1.050 10 0 ADAERN NN[C@@H]1CCCC[C@H]1C1CC1 575557663 352665041 /nfs/dbraw/zinc/66/50/41/352665041.db2.gz FYRAXRHSNLFOSX-DTWKUNHWSA-N 0 0 154.257 1.419 10 0 ADAERN CC[C@H](NN)[C@@]12CCC[C@@H]1C2 575557672 352665048 /nfs/dbraw/zinc/66/50/48/352665048.db2.gz GBKJPJYOLSXHAP-HRDYMLBCSA-N 0 0 154.257 1.419 10 0 ADAERN C[C@H](NN)C(C)(C)C(F)(F)F 575557732 352665106 /nfs/dbraw/zinc/66/51/06/352665106.db2.gz HHUAHBMZMAEBME-BYPYZUCNSA-N 0 0 170.178 1.427 10 0 ADAERN CC[C@H](NN)[C@]12CCC[C@H]1C2 575557670 352665125 /nfs/dbraw/zinc/66/51/25/352665125.db2.gz GBKJPJYOLSXHAP-CIUDSAMLSA-N 0 0 154.257 1.419 10 0 ADAERN C[C@@H](NN)[C@H]1CCCC2(CC2)C1 575557690 352665128 /nfs/dbraw/zinc/66/51/28/352665128.db2.gz GLMMEFNAIYCEQM-BDAKNGLRSA-N 0 0 168.284 1.809 10 0 ADAERN C[C@@H](NN)C(C)(C)C(F)(F)F 575557738 352665132 /nfs/dbraw/zinc/66/51/32/352665132.db2.gz HHUAHBMZMAEBME-SCSAIBSYSA-N 0 0 170.178 1.427 10 0 ADAERN C/C=C/[C@H](NN)[C@@H]1C[C@@H]1C 575557722 352665141 /nfs/dbraw/zinc/66/51/41/352665141.db2.gz GYIPGEITVWCCMD-NGVPCPMVSA-N 0 0 140.230 1.050 10 0 ADAERN NN[C@@H]1CCCC[C@@H]1C1CC1 575557667 352665155 /nfs/dbraw/zinc/66/51/55/352665155.db2.gz FYRAXRHSNLFOSX-RKDXNWHRSA-N 0 0 154.257 1.419 10 0 ADAERN NN[C@H]1CCCC[C@@H]1C1CC1 575557662 352665159 /nfs/dbraw/zinc/66/51/59/352665159.db2.gz FYRAXRHSNLFOSX-BDAKNGLRSA-N 0 0 154.257 1.419 10 0 ADAERN C[C@@H](NN)[C@@H]1CCCC2(CC2)C1 575557697 352665163 /nfs/dbraw/zinc/66/51/63/352665163.db2.gz GLMMEFNAIYCEQM-RKDXNWHRSA-N 0 0 168.284 1.809 10 0 ADAERN CC(C)[C@]1(C2CC2)CNC(=O)O1 575557609 352665172 /nfs/dbraw/zinc/66/51/72/352665172.db2.gz IROWCPCGFPGKIP-VIFPVBQESA-N 0 0 169.224 1.531 10 0 ADAERN C/C=C/[C@H](NN)[C@@H]1C[C@H]1C 575557726 352665178 /nfs/dbraw/zinc/66/51/78/352665178.db2.gz GYIPGEITVWCCMD-UAENDNOJSA-N 0 0 140.230 1.050 10 0 ADAERN Cc1cc(=NN)[nH]c2ccsc12 575557657 352665179 /nfs/dbraw/zinc/66/51/79/352665179.db2.gz FXZLWIBLKRXSOK-UHFFFAOYSA-N 0 0 179.248 1.890 10 0 ADAERN C[C@H](NN)[C@H]1CCCC2(CC2)C1 575557696 352665195 /nfs/dbraw/zinc/66/51/95/352665195.db2.gz GLMMEFNAIYCEQM-IUCAKERBSA-N 0 0 168.284 1.809 10 0 ADAERN C[C@H](NN)[C@@H]1CCCC12CC2 575557646 352665197 /nfs/dbraw/zinc/66/51/97/352665197.db2.gz FGIQBHWHDIYLHS-YUMQZZPRSA-N 0 0 154.257 1.419 10 0 ADAERN NN=c1[nH]c2c(s1)CCC21CC1 575557716 352665198 /nfs/dbraw/zinc/66/51/98/352665198.db2.gz GRZSNQNZCKUVAD-UHFFFAOYSA-N 0 0 181.264 1.407 10 0 ADAERN C[C@@H](C1CCC1)[C@@H](C)NN 575557598 352665204 /nfs/dbraw/zinc/66/52/04/352665204.db2.gz DZGKMXSKOYSKAW-RNFRBKRXSA-N 0 0 142.246 1.274 10 0 ADAERN C[C@H](NN)[C@H]1CCCC12CC2 575557643 352665205 /nfs/dbraw/zinc/66/52/05/352665205.db2.gz FGIQBHWHDIYLHS-JGVFFNPUSA-N 0 0 154.257 1.419 10 0 ADAERN C[C@H](NN)[C@H](C)C1CCC1 575557596 352665207 /nfs/dbraw/zinc/66/52/07/352665207.db2.gz DZGKMXSKOYSKAW-BQBZGAKWSA-N 0 0 142.246 1.274 10 0 ADAERN C[C@@H](NN)[C@H](C)C1CCC1 575557597 352665209 /nfs/dbraw/zinc/66/52/09/352665209.db2.gz DZGKMXSKOYSKAW-NKWVEPMBSA-N 0 0 142.246 1.274 10 0 ADAERN C[C@H](NN)[C@@H](C)C1CCC1 575557599 352665213 /nfs/dbraw/zinc/66/52/13/352665213.db2.gz DZGKMXSKOYSKAW-RQJHMYQMSA-N 0 0 142.246 1.274 10 0 ADAERN NN[C@H]1CCCC[C@H]1C1CC1 575557664 352665219 /nfs/dbraw/zinc/66/52/19/352665219.db2.gz FYRAXRHSNLFOSX-IUCAKERBSA-N 0 0 154.257 1.419 10 0 ADAERN C[C@@H](NN)[C@H]1CCCC12CC2 575557625 352665223 /nfs/dbraw/zinc/66/52/23/352665223.db2.gz FGIQBHWHDIYLHS-HTQZYQBOSA-N 0 0 154.257 1.419 10 0 ADAERN C/C=C/[C@H](NN)[C@H]1C[C@@H]1C 575557720 352665229 /nfs/dbraw/zinc/66/52/29/352665229.db2.gz GYIPGEITVWCCMD-GERCBLDOSA-N 0 0 140.230 1.050 10 0 ADAERN C[C@@H](NN)[C@@H]1CCCC12CC2 575557644 352665233 /nfs/dbraw/zinc/66/52/33/352665233.db2.gz FGIQBHWHDIYLHS-SFYZADRCSA-N 0 0 154.257 1.419 10 0 ADAERN NNCC1CCC2(CC1)CC2 575557683 352665246 /nfs/dbraw/zinc/66/52/46/352665246.db2.gz GEPQVRBEHOACRT-UHFFFAOYSA-N 0 0 154.257 1.420 10 0 ADAERN CC(C)[C@@]1(C2CC2)CNC(=O)O1 575557606 352665247 /nfs/dbraw/zinc/66/52/47/352665247.db2.gz IROWCPCGFPGKIP-SECBINFHSA-N 0 0 169.224 1.531 10 0 ADAERN O=C1CCCC[C@@]1(O)c1cscn1 575557822 352665683 /nfs/dbraw/zinc/66/56/83/352665683.db2.gz VBDYQHDAQXAYCX-SECBINFHSA-N 0 0 197.259 1.474 10 0 ADAERN O=C1CCCC[C@]1(O)c1cscn1 575557833 352665703 /nfs/dbraw/zinc/66/57/03/352665703.db2.gz VBDYQHDAQXAYCX-VIFPVBQESA-N 0 0 197.259 1.474 10 0 ADAERN CC(C)[C@@]1(C2CC2)CC(=O)CO1 575557877 352665770 /nfs/dbraw/zinc/66/57/70/352665770.db2.gz AFBJNOITTZXWOQ-SNVBAGLBSA-N 0 0 168.236 1.781 10 0 ADAERN O=C1CCCC[C@]1(O)CC1CC1 575558056 352667090 /nfs/dbraw/zinc/66/70/90/352667090.db2.gz VZQIRKYCNUUTIL-JTQLQIEISA-N 0 0 168.236 1.661 10 0 ADAERN O=C1CCCC[C@@]1(O)CC1CC1 575558060 352667136 /nfs/dbraw/zinc/66/71/36/352667136.db2.gz VZQIRKYCNUUTIL-SNVBAGLBSA-N 0 0 168.236 1.661 10 0 ADAERN CC1(C)C[C@]1(C)c1nc(C=O)c[nH]1 575558079 352667286 /nfs/dbraw/zinc/66/72/86/352667286.db2.gz BLPUQSXBPLYJTE-SNVBAGLBSA-N 0 0 178.235 1.910 10 0 ADAERN CC1(C)C[C@@]1(C)c1nc(C=O)c[nH]1 575558077 352667301 /nfs/dbraw/zinc/66/73/01/352667301.db2.gz BLPUQSXBPLYJTE-JTQLQIEISA-N 0 0 178.235 1.910 10 0 ADAERN CC1CC(Nc2cn(C)nn2)C1 575558320 352667816 /nfs/dbraw/zinc/66/78/16/352667816.db2.gz COISUOYYJPMZGE-UHFFFAOYSA-N 0 0 166.228 1.026 10 0 ADAERN C[C@H]1OCC[C@@]1([NH3+])c1cscn1 575558329 352667899 /nfs/dbraw/zinc/66/78/99/352667899.db2.gz CLCLYWJDBYEOQR-SVRRBLITSA-N 0 0 184.264 1.106 10 0 ADAERN C[C@H](Nc1cn(C)nn1)C(C)(C)C 575558355 352668273 /nfs/dbraw/zinc/66/82/73/352668273.db2.gz CVHQEJMCFWTVLY-ZETCQYMHSA-N 0 0 182.271 1.662 10 0 ADAERN C[C@H](C[C@]1(C)CC1(F)F)NN 575558466 352668325 /nfs/dbraw/zinc/66/83/25/352668325.db2.gz HPVASZOUFUQZAS-PHDIDXHHSA-N 0 0 164.199 1.274 10 0 ADAERN C[C@@H](C[C@]1(C)CC1(F)F)NN 575558464 352668329 /nfs/dbraw/zinc/66/83/29/352668329.db2.gz HPVASZOUFUQZAS-NTSWFWBYSA-N 0 0 164.199 1.274 10 0 ADAERN Cc1[nH]c([C@@H]2CCCCO2)nc1O 575558484 352668347 /nfs/dbraw/zinc/66/83/47/352668347.db2.gz IBNHXVXYKKKOAQ-ZETCQYMHSA-N 0 0 182.223 1.665 10 0 ADAERN NN=c1[nH]c2c(s1)CC1(CC2)CC1 575558487 352668367 /nfs/dbraw/zinc/66/83/67/352668367.db2.gz IOXGFGSTVAAKIW-UHFFFAOYSA-N 0 0 195.291 1.698 10 0 ADAERN NN[C@@H]1CCC12CCCC2 575558519 352668379 /nfs/dbraw/zinc/66/83/79/352668379.db2.gz JZAOZIGQBDGITH-SSDOTTSWSA-N 0 0 140.230 1.173 10 0 ADAERN NNC[C@@H]1CCCC2(CC2)C1 575558508 352668399 /nfs/dbraw/zinc/66/83/99/352668399.db2.gz JTUOJHFNQJAMHJ-MRVPVSSYSA-N 0 0 154.257 1.420 10 0 ADAERN NNC[C@H]1CCCC2(CC2)C1 575558509 352668405 /nfs/dbraw/zinc/66/84/05/352668405.db2.gz JTUOJHFNQJAMHJ-QMMMGPOBSA-N 0 0 154.257 1.420 10 0 ADAERN NNc1ccnc(-c2cncs2)c1 575558493 352668408 /nfs/dbraw/zinc/66/84/08/352668408.db2.gz JFDFDHLOZQEJHF-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C/C=C/[C@@H](NN)C1(C)CC1 575558490 352668422 /nfs/dbraw/zinc/66/84/22/352668422.db2.gz JEONPPMTEOXWNS-KGGZQZJCSA-N 0 0 140.230 1.195 10 0 ADAERN NNC[C@]12CCCC[C@H]1C2 575558500 352668462 /nfs/dbraw/zinc/66/84/62/352668462.db2.gz JNTOWBMPZMUYDT-JGVFFNPUSA-N 0 0 140.230 1.030 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1CNC(=O)O1 575558454 352668505 /nfs/dbraw/zinc/66/85/05/352668505.db2.gz RFTFUYOVLHXCQC-PHDIDXHHSA-N 0 0 155.197 1.141 10 0 ADAERN CC1(C)C[C@H]1[C@H]1CNC(=O)O1 575558453 352668558 /nfs/dbraw/zinc/66/85/58/352668558.db2.gz RFTFUYOVLHXCQC-NTSWFWBYSA-N 0 0 155.197 1.141 10 0 ADAERN Cc1[nH]c([C@H]2CCCCO2)nc1O 575558483 352668588 /nfs/dbraw/zinc/66/85/88/352668588.db2.gz IBNHXVXYKKKOAQ-SSDOTTSWSA-N 0 0 182.223 1.665 10 0 ADAERN NNC[C@@]12CCCC[C@@H]1C2 575558503 352668593 /nfs/dbraw/zinc/66/85/93/352668593.db2.gz JNTOWBMPZMUYDT-SFYZADRCSA-N 0 0 140.230 1.030 10 0 ADAERN CC1(C)C[C@H]1[C@@H]1CNC(=O)O1 575558457 352668596 /nfs/dbraw/zinc/66/85/96/352668596.db2.gz RFTFUYOVLHXCQC-WDSKDSINSA-N 0 0 155.197 1.141 10 0 ADAERN NN[C@H]1CCC12CCCC2 575558520 352668602 /nfs/dbraw/zinc/66/86/02/352668602.db2.gz JZAOZIGQBDGITH-ZETCQYMHSA-N 0 0 140.230 1.173 10 0 ADAERN C[C@@H](C[C@@]1(C)CC1(F)F)NN 575558476 352668610 /nfs/dbraw/zinc/66/86/10/352668610.db2.gz HPVASZOUFUQZAS-WDSKDSINSA-N 0 0 164.199 1.274 10 0 ADAERN C[C@H](C[C@@]1(C)CC1(F)F)NN 575558475 352668631 /nfs/dbraw/zinc/66/86/31/352668631.db2.gz HPVASZOUFUQZAS-RITPCOANSA-N 0 0 164.199 1.274 10 0 ADAERN C/C=C/[C@H](NN)C1(C)CC1 575558491 352668647 /nfs/dbraw/zinc/66/86/47/352668647.db2.gz JEONPPMTEOXWNS-SDLBARTOSA-N 0 0 140.230 1.195 10 0 ADAERN C[C@@H](Nc1cn(C)nn1)C(C)(C)C 575558354 352668651 /nfs/dbraw/zinc/66/86/51/352668651.db2.gz CVHQEJMCFWTVLY-SSDOTTSWSA-N 0 0 182.271 1.662 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1CNC(=O)O1 575558456 352668656 /nfs/dbraw/zinc/66/86/56/352668656.db2.gz RFTFUYOVLHXCQC-RITPCOANSA-N 0 0 155.197 1.141 10 0 ADAERN C/C=C/[C@H](NN)C(C)(F)F 575558574 352668896 /nfs/dbraw/zinc/66/88/96/352668896.db2.gz LDGIMQNAUDWHOR-BHYDHMSTSA-N 0 0 150.172 1.050 10 0 ADAERN C/C=C/[C@@H](NN)C(C)(F)F 575558575 352669022 /nfs/dbraw/zinc/66/90/22/352669022.db2.gz LDGIMQNAUDWHOR-QLSVQJPWSA-N 0 0 150.172 1.050 10 0 ADAERN C[C@H](NN)[C@@H]1CCC[C@H]2C[C@H]21 575558562 352669026 /nfs/dbraw/zinc/66/90/26/352669026.db2.gz 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/nfs/dbraw/zinc/66/97/11/352669711.db2.gz YACMYNQRNSNGFX-JTQLQIEISA-N 0 0 168.236 1.661 10 0 ADAERN O=C1CCCC[C@@]1(O)C1CCC1 575558714 352669748 /nfs/dbraw/zinc/66/97/48/352669748.db2.gz YACMYNQRNSNGFX-SNVBAGLBSA-N 0 0 168.236 1.661 10 0 ADAERN CC1(N2CCCNC2=O)CC=CC1 575558799 352669807 /nfs/dbraw/zinc/66/98/07/352669807.db2.gz UGOMSZCRYUBCDC-UHFFFAOYSA-N 0 0 180.251 1.510 10 0 ADAERN Cn1nc([C@@]2(C)CC2(C)C)cc1N 575558756 352669835 /nfs/dbraw/zinc/66/98/35/352669835.db2.gz CZAIEDQXHISEOA-SNVBAGLBSA-N 0 0 179.267 1.690 10 0 ADAERN Nc1csc(C[C@H]2CC2(F)F)n1 575558682 352669847 /nfs/dbraw/zinc/66/98/47/352669847.db2.gz MKODLIXVJWFDQD-BYPYZUCNSA-N 0 0 190.218 1.923 10 0 ADAERN Cn1cc([C@]2([NH3+])CCC2(C)C)cn1 575558845 352670177 /nfs/dbraw/zinc/67/01/77/352670177.db2.gz DIGFRQUYTAREGA-SNVBAGLBSA-N 0 0 179.267 1.394 10 0 ADAERN C/C=C/[C@H]([NH3+])c1cncs1 575558931 352670225 /nfs/dbraw/zinc/67/02/25/352670225.db2.gz UDMCUDATFKRLOH-SZKDQXIBSA-N 0 0 154.238 1.719 10 0 ADAERN C/C=C/[C@@H]([NH3+])c1cncs1 575558939 352670238 /nfs/dbraw/zinc/67/02/38/352670238.db2.gz UDMCUDATFKRLOH-YRFDSLTASA-N 0 0 154.238 1.719 10 0 ADAERN COC1CC([NH3+])(c2ccns2)C1 575558875 352670387 /nfs/dbraw/zinc/67/03/87/352670387.db2.gz DRJQPZKAVKMICS-UHFFFAOYSA-N 0 0 184.264 1.106 10 0 ADAERN C[C@H]1C[C@]1(C)NCC(F)(F)F 575572039 352734194 /nfs/dbraw/zinc/73/41/94/352734194.db2.gz LUDGPVBIDQVTAY-WDSKDSINSA-N 0 0 167.174 1.937 10 0 ADAERN COCC(=O)[C@@]1(C)CC1(C)C 575559092 352670983 /nfs/dbraw/zinc/67/09/83/352670983.db2.gz FMPNZCOKODFUAS-SECBINFHSA-N 0 0 156.225 1.638 10 0 ADAERN COCC(=O)[C@]1(C)CC1(C)C 575559095 352671008 /nfs/dbraw/zinc/67/10/08/352671008.db2.gz FMPNZCOKODFUAS-VIFPVBQESA-N 0 0 156.225 1.638 10 0 ADAERN CC1(C)C[C@@]1(C)N1CN=NC1=S 575559206 352671387 /nfs/dbraw/zinc/67/13/87/352671387.db2.gz MYNJERRLSZAUNV-MRVPVSSYSA-N 0 0 183.280 1.712 10 0 ADAERN C/C=C/[C@H](NN)[C@@]1(C)C[C@H]1C 575559186 352671426 /nfs/dbraw/zinc/67/14/26/352671426.db2.gz MNGDTSZVTPCUOH-HKMLNRKSSA-N 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/nfs/dbraw/zinc/67/21/64/352672164.db2.gz YFPKYMFGSMRMKP-SECBINFHSA-N 0 0 181.239 1.081 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1NN 575559395 352672178 /nfs/dbraw/zinc/67/21/78/352672178.db2.gz RISVVRBZZJCBLQ-SFYZADRCSA-N 0 0 142.246 1.419 10 0 ADAERN NNC1CCC2(CC1)CC2 575559327 352672208 /nfs/dbraw/zinc/67/22/08/352672208.db2.gz PZYXKTZZMMVWCR-UHFFFAOYSA-N 0 0 140.230 1.173 10 0 ADAERN C[C@H]1CCCCC[C@H]1NN 575559391 352672235 /nfs/dbraw/zinc/67/22/35/352672235.db2.gz RISVVRBZZJCBLQ-JGVFFNPUSA-N 0 0 142.246 1.419 10 0 ADAERN CC(C)[C@@]1(C2CC2)NC(=O)N=C1N 575559305 352672320 /nfs/dbraw/zinc/67/23/20/352672320.db2.gz YFPKYMFGSMRMKP-VIFPVBQESA-N 0 0 181.239 1.081 10 0 ADAERN C[C@H](NN)[C@]12CCC[C@H]1C2 575559407 352672333 /nfs/dbraw/zinc/67/23/33/352672333.db2.gz RLXAJXWBLXWQRQ-BIIVOSGPSA-N 0 0 140.230 1.028 10 0 ADAERN C[C@H]1CCCCC[C@@H]1NN 575559397 352672373 /nfs/dbraw/zinc/67/23/73/352672373.db2.gz RISVVRBZZJCBLQ-YUMQZZPRSA-N 0 0 142.246 1.419 10 0 ADAERN NN=c1[nH]c2c(s1)[C@H]1CC[C@@H](C2)C1 575559303 352672393 /nfs/dbraw/zinc/67/23/93/352672393.db2.gz PIMVOPVNNPKQMA-RITPCOANSA-N 0 0 195.291 1.869 10 0 ADAERN CC(F)(F)C(C)(C)CNN 575559278 352672420 /nfs/dbraw/zinc/67/24/20/352672420.db2.gz OVFSWRSRIDAACX-UHFFFAOYSA-N 0 0 152.188 1.131 10 0 ADAERN CC(F)(F)C[C@@H]1CCCNC1=O 575559415 352673026 /nfs/dbraw/zinc/67/30/26/352673026.db2.gz OPZOIDNZMVWVEO-LURJTMIESA-N 0 0 177.194 1.558 10 0 ADAERN O=C1NCCN1[C@H]1CCCC12CC2 575559430 352673100 /nfs/dbraw/zinc/67/31/00/352673100.db2.gz ZFXIZKPTUXLTKZ-QMMMGPOBSA-N 0 0 180.251 1.344 10 0 ADAERN COC1CC(CC(C)=O)C1 575559436 352673103 /nfs/dbraw/zinc/67/31/03/352673103.db2.gz ONTFBATWWMEMGM-UHFFFAOYSA-N 0 0 142.198 1.391 10 0 ADAERN O=C1NCCN1[C@@H]1CCCC12CC2 575559428 352673161 /nfs/dbraw/zinc/67/31/61/352673161.db2.gz ZFXIZKPTUXLTKZ-MRVPVSSYSA-N 0 0 180.251 1.344 10 0 ADAERN CC(F)(F)C[C@H]1CCCNC1=O 575559416 352673164 /nfs/dbraw/zinc/67/31/64/352673164.db2.gz OPZOIDNZMVWVEO-ZCFIWIBFSA-N 0 0 177.194 1.558 10 0 ADAERN 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/nfs/dbraw/zinc/67/50/28/352675028.db2.gz RIADGYDTFASFIU-UHFFFAOYSA-N 0 0 182.267 1.448 10 0 ADAERN C[C@H](NN)C(C)(C)C(F)F 575560158 352675072 /nfs/dbraw/zinc/67/50/72/352675072.db2.gz XMGVYFDZQPBEBJ-BYPYZUCNSA-N 0 0 152.188 1.130 10 0 ADAERN C[C@@H](NN)C(C)(C)C(F)F 575560164 352675098 /nfs/dbraw/zinc/67/50/98/352675098.db2.gz XMGVYFDZQPBEBJ-SCSAIBSYSA-N 0 0 152.188 1.130 10 0 ADAERN O=C1CSC(N2CC[C@@H]3C[C@@H]32)=N1 575560072 352675104 /nfs/dbraw/zinc/67/51/04/352675104.db2.gz WIWRMCRRFWGPSP-RITPCOANSA-N 0 0 182.248 1.447 10 0 ADAERN NNC[C@H]1CCCC12CC2 575560118 352675169 /nfs/dbraw/zinc/67/51/69/352675169.db2.gz XEQOAFDPIMJTEO-SSDOTTSWSA-N 0 0 140.230 1.030 10 0 ADAERN C[C@@H](N1CN=NC1=S)C1(C)CC1 575559997 352675287 /nfs/dbraw/zinc/67/52/87/352675287.db2.gz VVIWNVXAHIJVGC-ZCFIWIBFSA-N 0 0 183.280 1.928 10 0 ADAERN C[C@H](NN)C1CC2(CCC2)C1 575560113 352675336 /nfs/dbraw/zinc/67/53/36/352675336.db2.gz WYTSVSLANMOLSY-ZETCQYMHSA-N 0 0 154.257 1.419 10 0 ADAERN NNC[C@@H]1CCCC12CC2 575560125 352675368 /nfs/dbraw/zinc/67/53/68/352675368.db2.gz XEQOAFDPIMJTEO-ZETCQYMHSA-N 0 0 140.230 1.030 10 0 ADAERN C[C@@H](NN)C1CC2(CCC2)C1 575560108 352675386 /nfs/dbraw/zinc/67/53/86/352675386.db2.gz WYTSVSLANMOLSY-SSDOTTSWSA-N 0 0 154.257 1.419 10 0 ADAERN C/C=C/[C@@H](NN)[C@@H]1CC1(C)C 575560387 352676371 /nfs/dbraw/zinc/67/63/71/352676371.db2.gz ZZLKZHMTPUFQGU-ODAVYXMRSA-N 0 0 154.257 1.441 10 0 ADAERN CC1(C)C[C@]1(C)c1ncc(N)cn1 575560425 352676431 /nfs/dbraw/zinc/67/64/31/352676431.db2.gz JFBGIIYJWYPJQV-SNVBAGLBSA-N 0 0 177.251 1.746 10 0 ADAERN C/C=C/[C@H](NN)[C@@H]1CC1(C)C 575560388 352676463 /nfs/dbraw/zinc/67/64/63/352676463.db2.gz ZZLKZHMTPUFQGU-VEVSIANRSA-N 0 0 154.257 1.441 10 0 ADAERN C[C@H](NN)[C@@]12CCCC[C@@H]1C2 575560377 352676485 /nfs/dbraw/zinc/67/64/85/352676485.db2.gz ZFCFHLLDSIVCJQ-YIZRAAEISA-N 0 0 154.257 1.419 10 0 ADAERN C/C=C/[C@@H](NN)[C@H]1CC1(C)C 575560385 352676679 /nfs/dbraw/zinc/67/66/79/352676679.db2.gz ZZLKZHMTPUFQGU-IVZJMYDKSA-N 0 0 154.257 1.441 10 0 ADAERN C[C@H](NN)[C@]12CCCC[C@H]1C2 575560376 352676721 /nfs/dbraw/zinc/67/67/21/352676721.db2.gz ZFCFHLLDSIVCJQ-XHNCKOQMSA-N 0 0 154.257 1.419 10 0 ADAERN C/C=C/[C@H](NN)[C@H]1CC1(C)C 575560389 352676732 /nfs/dbraw/zinc/67/67/32/352676732.db2.gz ZZLKZHMTPUFQGU-VWFQECGMSA-N 0 0 154.257 1.441 10 0 ADAERN CC1(C)C[C@@]1(C)c1ncc(N)cn1 575560419 352676737 /nfs/dbraw/zinc/67/67/37/352676737.db2.gz JFBGIIYJWYPJQV-JTQLQIEISA-N 0 0 177.251 1.746 10 0 ADAERN C[C@@H](Nc1cn(C)nn1)C1(C)CC1 575560556 352677146 /nfs/dbraw/zinc/67/71/46/352677146.db2.gz JUMFYMSZFULSAB-SSDOTTSWSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H](Nc1cn(C)nn1)C1(C)CC1 575560558 352677191 /nfs/dbraw/zinc/67/71/91/352677191.db2.gz JUMFYMSZFULSAB-ZETCQYMHSA-N 0 0 180.255 1.416 10 0 ADAERN CC1(C)C[C@]1(C)c1nsc(N)n1 575560681 352677860 /nfs/dbraw/zinc/67/78/60/352677860.db2.gz LKBWTANVOLXGNX-MRVPVSSYSA-N 0 0 183.280 1.638 10 0 ADAERN CC1(C)C[C@@]1(C)c1nsc(N)n1 575560682 352677998 /nfs/dbraw/zinc/67/79/98/352677998.db2.gz 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/nfs/dbraw/zinc/67/91/38/352679138.db2.gz CXNUEZUROGWUCH-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN CC[C@H]1COC[C@H]1n1cc[nH]c1=O 575560950 352679277 /nfs/dbraw/zinc/67/92/77/352679277.db2.gz LHUHXQVAVOZYSC-JGVFFNPUSA-N 0 0 182.223 1.186 10 0 ADAERN CC[C@H]1COC[C@@H]1n1cc[nH]c1=O 575560955 352679299 /nfs/dbraw/zinc/67/92/99/352679299.db2.gz LHUHXQVAVOZYSC-YUMQZZPRSA-N 0 0 182.223 1.186 10 0 ADAERN CN1CC(=O)N=C1[C@H]1CCCCO1 575561058 352679637 /nfs/dbraw/zinc/67/96/37/352679637.db2.gz VIBVWCWLPLVMEK-SSDOTTSWSA-N 0 0 182.223 1.367 10 0 ADAERN CN1CC(=O)N=C1[C@@H]1CCCCO1 575561081 352679645 /nfs/dbraw/zinc/67/96/45/352679645.db2.gz VIBVWCWLPLVMEK-ZETCQYMHSA-N 0 0 182.223 1.367 10 0 ADAERN Cc1c[nH]c(N2CC[C@H]3C[C@H]3C2)n1 575561126 352679655 /nfs/dbraw/zinc/67/96/55/352679655.db2.gz YYVGPDUSKSHFAZ-IUCAKERBSA-N 0 0 177.251 1.564 10 0 ADAERN Cn1cncc1-c1cnc[nH]c1=S 575561150 352679723 /nfs/dbraw/zinc/67/97/23/352679723.db2.gz ZTLXQIXXWQKZGO-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN 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/nfs/dbraw/zinc/68/42/02/352684202.db2.gz BUXAGLZEPIFZEK-MRVPVSSYSA-N 0 0 139.198 1.767 10 0 ADAERN S=c1[nH]nc([C@@H]2CC23CC3)[nH]1 575562040 352684218 /nfs/dbraw/zinc/68/42/18/352684218.db2.gz IVRMOFHUBRBHMK-BYPYZUCNSA-N 0 0 167.237 1.361 10 0 ADAERN CCC[C@@H](O)c1nc(C)c[nH]1 575562000 352684224 /nfs/dbraw/zinc/68/42/24/352684224.db2.gz BSZCUCQTQUDXSE-SSDOTTSWSA-N 0 0 154.213 1.552 10 0 ADAERN CCC[C@H](O)c1nc(C)c[nH]1 575562001 352684262 /nfs/dbraw/zinc/68/42/62/352684262.db2.gz BSZCUCQTQUDXSE-ZETCQYMHSA-N 0 0 154.213 1.552 10 0 ADAERN CC(C)(C)n1cc([C@@H]2CO2)cn1 575562085 352684648 /nfs/dbraw/zinc/68/46/48/352684648.db2.gz QRMWZISFJCXDSE-QMMMGPOBSA-N 0 0 166.224 1.709 10 0 ADAERN CC1(C)CCN1c1ncc[nH]1 575562070 352684740 /nfs/dbraw/zinc/68/47/40/352684740.db2.gz NATWGFHQKVTYLC-UHFFFAOYSA-N 0 0 151.213 1.398 10 0 ADAERN Fc1ccnc(-c2cn[nH]c2)n1 575562150 352684769 /nfs/dbraw/zinc/68/47/69/352684769.db2.gz VJOPGQDJWSWODI-UHFFFAOYSA-N 0 0 164.143 1.006 10 0 ADAERN 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170.233 1.570 10 0 ADAERN Cn1cc(NC2CCSCC2)nn1 575562296 352685264 /nfs/dbraw/zinc/68/52/64/352685264.db2.gz YJOSCTSXJVCKLF-UHFFFAOYSA-N 0 0 198.295 1.123 10 0 ADAERN C[C@H](F)CCn1cc[nH]c1=O 575562311 352685271 /nfs/dbraw/zinc/68/52/71/352685271.db2.gz FVRLSXQBLPDEDF-LURJTMIESA-N 0 0 158.176 1.337 10 0 ADAERN C[C@@H](F)CCn1cc[nH]c1=O 575562314 352685304 /nfs/dbraw/zinc/68/53/04/352685304.db2.gz FVRLSXQBLPDEDF-ZCFIWIBFSA-N 0 0 158.176 1.337 10 0 ADAERN c1ncc(C[C@@H]2CO2)s1 575562286 352685384 /nfs/dbraw/zinc/68/53/84/352685384.db2.gz CEKOBKQZUVIPMO-RXMQYKEDSA-N 0 0 141.195 1.084 10 0 ADAERN CC(F)(F)C[C@@H]1COCCC1=O 575562210 352685389 /nfs/dbraw/zinc/68/53/89/352685389.db2.gz ZIWQZLIJIJVOLM-ZCFIWIBFSA-N 0 0 178.178 1.637 10 0 ADAERN c1ncc(C[C@H]2CO2)s1 575562287 352685392 /nfs/dbraw/zinc/68/53/92/352685392.db2.gz CEKOBKQZUVIPMO-YFKPBYRVSA-N 0 0 141.195 1.084 10 0 ADAERN CC(F)(F)C[C@H]1COCCC1=O 575562209 352685394 /nfs/dbraw/zinc/68/53/94/352685394.db2.gz ZIWQZLIJIJVOLM-LURJTMIESA-N 0 0 178.178 1.637 10 0 ADAERN Cc1nnc(C2(C(F)F)CC2)[nH]1 575562292 352685479 /nfs/dbraw/zinc/68/54/79/352685479.db2.gz COXMLYYCGIOPRF-UHFFFAOYSA-N 0 0 173.166 1.410 10 0 ADAERN Cc1cocc1-c1cc(N)on1 575562196 352685548 /nfs/dbraw/zinc/68/55/48/352685548.db2.gz ZBYIUCYLKZJYBZ-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN O[C@@H](C[C@@H]1CO1)c1cccs1 575562401 352685880 /nfs/dbraw/zinc/68/58/80/352685880.db2.gz OTKIZANNBNVLRA-RQJHMYQMSA-N 0 0 170.233 1.570 10 0 ADAERN C[C@](O)(c1ccc[nH]1)C(F)F 575562392 352685855 /nfs/dbraw/zinc/68/58/55/352685855.db2.gz NNZDLQCMYCYDKR-ZETCQYMHSA-N 0 0 161.151 1.487 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)[C@H]1C 575562419 352685871 /nfs/dbraw/zinc/68/58/71/352685871.db2.gz SLXMYBINUPBVHI-BQBZGAKWSA-N 0 0 151.213 1.254 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)Nc1ncc[nH]1 575562426 352685884 /nfs/dbraw/zinc/68/58/84/352685884.db2.gz SYBRHVLXNSSIMR-IMTBSYHQSA-N 0 0 179.223 1.394 10 0 ADAERN CCc1cc(Cl)n[nH]c1=S 575562414 352685893 /nfs/dbraw/zinc/68/58/93/352685893.db2.gz SIABSGJAWCDNOR-UHFFFAOYSA-N 0 0 174.656 1.981 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)Nc1ncc[nH]1 575562427 352685907 /nfs/dbraw/zinc/68/59/07/352685907.db2.gz SYBRHVLXNSSIMR-MUWHJKNJSA-N 0 0 179.223 1.394 10 0 ADAERN O=c1[nH]ccn1C[C@@H]1CC12CC2 575562376 352685925 /nfs/dbraw/zinc/68/59/25/352685925.db2.gz KGSPKBZFKDDARV-ZETCQYMHSA-N 0 0 164.208 1.389 10 0 ADAERN CC(C)=C[C@H](O)c1nc(C)c[nH]1 575562337 352685928 /nfs/dbraw/zinc/68/59/28/352685928.db2.gz FZDZKPUYGDMNGS-QMMMGPOBSA-N 0 0 166.224 1.718 10 0 ADAERN C[C@@H](O)c1nc([C@@H]2CC23CC3)n[nH]1 575562395 352685940 /nfs/dbraw/zinc/68/59/40/352685940.db2.gz OLXWQUQYYVOMTM-RITPCOANSA-N 0 0 179.223 1.126 10 0 ADAERN O[C@@H](C[C@H]1CO1)c1cccs1 575562398 352685953 /nfs/dbraw/zinc/68/59/53/352685953.db2.gz OTKIZANNBNVLRA-BQBZGAKWSA-N 0 0 170.233 1.570 10 0 ADAERN C[C@H](O)c1nc([C@@H]2CC23CC3)n[nH]1 575562396 352685958 /nfs/dbraw/zinc/68/59/58/352685958.db2.gz OLXWQUQYYVOMTM-WDSKDSINSA-N 0 0 179.223 1.126 10 0 ADAERN C[C@H]1CN(c2ncc[nH]2)[C@@H]1C 575562420 352685988 /nfs/dbraw/zinc/68/59/88/352685988.db2.gz SLXMYBINUPBVHI-NKWVEPMBSA-N 0 0 151.213 1.254 10 0 ADAERN C[C@H](O)c1nc([C@H]2CC23CC3)n[nH]1 575562393 352685997 /nfs/dbraw/zinc/68/59/97/352685997.db2.gz OLXWQUQYYVOMTM-NTSWFWBYSA-N 0 0 179.223 1.126 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncc[nH]1 575562422 352686005 /nfs/dbraw/zinc/68/60/05/352686005.db2.gz SLXMYBINUPBVHI-RQJHMYQMSA-N 0 0 151.213 1.254 10 0 ADAERN C[C@@](O)(c1ccc[nH]1)C(F)F 575562391 352686018 /nfs/dbraw/zinc/68/60/18/352686018.db2.gz NNZDLQCMYCYDKR-SSDOTTSWSA-N 0 0 161.151 1.487 10 0 ADAERN C[C@@H](c1n[nH]c(=S)[nH]1)C1CCC1 575562412 352686027 /nfs/dbraw/zinc/68/60/27/352686027.db2.gz RZUNTCHYSMMKNB-RXMQYKEDSA-N 0 0 183.280 1.997 10 0 ADAERN C[C@@H](O)c1nc([C@H]2CC23CC3)n[nH]1 575562394 352686079 /nfs/dbraw/zinc/68/60/79/352686079.db2.gz OLXWQUQYYVOMTM-PHDIDXHHSA-N 0 0 179.223 1.126 10 0 ADAERN O[C@H](C[C@H]1CO1)c1cccs1 575562399 352686088 /nfs/dbraw/zinc/68/60/88/352686088.db2.gz OTKIZANNBNVLRA-NKWVEPMBSA-N 0 0 170.233 1.570 10 0 ADAERN CC(C)=C[C@@H](O)c1nc(C)c[nH]1 575562320 352686103 /nfs/dbraw/zinc/68/61/03/352686103.db2.gz FZDZKPUYGDMNGS-MRVPVSSYSA-N 0 0 166.224 1.718 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)Nc1ncc[nH]1 575562425 352686113 /nfs/dbraw/zinc/68/61/13/352686113.db2.gz SYBRHVLXNSSIMR-HZGVNTEJSA-N 0 0 179.223 1.394 10 0 ADAERN C[C@@H]1CN(c2ncc[nH]2)[C@@H]1C 575562421 352686124 /nfs/dbraw/zinc/68/61/24/352686124.db2.gz SLXMYBINUPBVHI-RNFRBKRXSA-N 0 0 151.213 1.254 10 0 ADAERN O=c1[nH]ccn1C[C@H]1CC12CC2 575562374 352686139 /nfs/dbraw/zinc/68/61/39/352686139.db2.gz KGSPKBZFKDDARV-SSDOTTSWSA-N 0 0 164.208 1.389 10 0 ADAERN C[C@H](c1n[nH]c(=S)[nH]1)C1CCC1 575562413 352686157 /nfs/dbraw/zinc/68/61/57/352686157.db2.gz RZUNTCHYSMMKNB-YFKPBYRVSA-N 0 0 183.280 1.997 10 0 ADAERN O=C1N[C@]2(CCCC23CC3)CO1 575562476 352686450 /nfs/dbraw/zinc/68/64/50/352686450.db2.gz BKHRSVKSQSGCPA-SECBINFHSA-N 0 0 167.208 1.429 10 0 ADAERN O=C1N[C@@]2(CCCC23CC3)CO1 575562477 352686454 /nfs/dbraw/zinc/68/64/54/352686454.db2.gz BKHRSVKSQSGCPA-VIFPVBQESA-N 0 0 167.208 1.429 10 0 ADAERN CC1(C)CC(c2n[nH]c(=S)[nH]2)C1 575562467 352686567 /nfs/dbraw/zinc/68/65/67/352686567.db2.gz ZZUOOFBUTNSOAW-UHFFFAOYSA-N 0 0 183.280 1.997 10 0 ADAERN O=c1[nH][nH]c(=S)n1C[C@H]1CC12CC2 575562448 352686580 /nfs/dbraw/zinc/68/65/80/352686580.db2.gz YBZNQYCAGQUAJX-RXMQYKEDSA-N 0 0 197.263 1.073 10 0 ADAERN CC(F)(F)Cn1cc[nH]c1=O 575562439 352686590 /nfs/dbraw/zinc/68/65/90/352686590.db2.gz VSHQODALBOOQSM-UHFFFAOYSA-N 0 0 162.139 1.244 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)Nc1ncc[nH]1 575562428 352686629 /nfs/dbraw/zinc/68/66/29/352686629.db2.gz SYBRHVLXNSSIMR-RCOVLWMOSA-N 0 0 179.223 1.394 10 0 ADAERN O=C1N[C@H]([C@@H]2CC[C@@H]3C[C@@H]3C2)CO1 575562492 352686656 /nfs/dbraw/zinc/68/66/56/352686656.db2.gz CZXALMKRBQWKEY-BGZDPUMWSA-N 0 0 181.235 1.531 10 0 ADAERN Fc1cncc(F)c1C[C@H]1CO1 575562474 352686694 /nfs/dbraw/zinc/68/66/94/352686694.db2.gz BBZPURMANBEIKR-YFKPBYRVSA-N 0 0 171.146 1.301 10 0 ADAERN O=C1N[C@H]([C@@H]2CC[C@H]3C[C@H]3C2)CO1 575562495 352686742 /nfs/dbraw/zinc/68/67/42/352686742.db2.gz CZXALMKRBQWKEY-KZVJFYERSA-N 0 0 181.235 1.531 10 0 ADAERN Fc1cncc(F)c1C[C@@H]1CO1 575562473 352686756 /nfs/dbraw/zinc/68/67/56/352686756.db2.gz BBZPURMANBEIKR-RXMQYKEDSA-N 0 0 171.146 1.301 10 0 ADAERN O=c1[nH][nH]c(=S)n1C[C@@H]1CC12CC2 575562449 352686768 /nfs/dbraw/zinc/68/67/68/352686768.db2.gz YBZNQYCAGQUAJX-YFKPBYRVSA-N 0 0 197.263 1.073 10 0 ADAERN N[C@@H](c1ccsn1)c1ccc[nH]1 575562718 352687200 /nfs/dbraw/zinc/68/72/00/352687200.db2.gz CBNCRIRLKFEPPQ-MRVPVSSYSA-N 0 0 179.248 1.519 10 0 ADAERN Cc1c(N[C@H](C)C(C)C)nnn1C 575562677 352687219 /nfs/dbraw/zinc/68/72/19/352687219.db2.gz AULSCYQJRUPSJJ-SSDOTTSWSA-N 0 0 182.271 1.580 10 0 ADAERN N[C@H](c1ccsn1)c1ccc[nH]1 575562725 352687224 /nfs/dbraw/zinc/68/72/24/352687224.db2.gz CBNCRIRLKFEPPQ-QMMMGPOBSA-N 0 0 179.248 1.519 10 0 ADAERN O=C1N[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)CO1 575562582 352687240 /nfs/dbraw/zinc/68/72/40/352687240.db2.gz JWPIJHXAEPLJFB-ULAWRXDQSA-N 0 0 167.208 1.141 10 0 ADAERN C[C@@H]1C[C@@]1(C)CN1CN=NC1=S 575562696 352687279 /nfs/dbraw/zinc/68/72/79/352687279.db2.gz BAVCYBGFJDRODS-SVRRBLITSA-N 0 0 183.280 1.613 10 0 ADAERN Cn1cnc(-c2cccc(=O)[nH]2)c1 575562672 352687297 /nfs/dbraw/zinc/68/72/97/352687297.db2.gz APNJDXCJMRPPQQ-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cc1c(N[C@@H](C)C(C)C)nnn1C 575562682 352687354 /nfs/dbraw/zinc/68/73/54/352687354.db2.gz AULSCYQJRUPSJJ-ZETCQYMHSA-N 0 0 182.271 1.580 10 0 ADAERN C[C@H]1C[C@@]1(C)CN1CN=NC1=S 575562697 352687400 /nfs/dbraw/zinc/68/74/00/352687400.db2.gz BAVCYBGFJDRODS-XPUUQOCRSA-N 0 0 183.280 1.613 10 0 ADAERN C[C@H]1C[C@]1(C)CN1CN=NC1=S 575562695 352687509 /nfs/dbraw/zinc/68/75/09/352687509.db2.gz BAVCYBGFJDRODS-POYBYMJQSA-N 0 0 183.280 1.613 10 0 ADAERN C[C@@H]1C[C@]1(C)CN1CN=NC1=S 575562694 352687525 /nfs/dbraw/zinc/68/75/25/352687525.db2.gz BAVCYBGFJDRODS-HTRCEHHLSA-N 0 0 183.280 1.613 10 0 ADAERN Cc1ccc(O)cc1N[S@@](C)=O 575562873 352687889 /nfs/dbraw/zinc/68/78/89/352687889.db2.gz FLKPVDRGTDWXOY-GFCCVEGCSA-N 0 0 185.248 1.406 10 0 ADAERN Cc1c(NC2CCCC2)nnn1C 575562785 352687915 /nfs/dbraw/zinc/68/79/15/352687915.db2.gz DJPHZHXPXIVXQH-UHFFFAOYSA-N 0 0 180.255 1.478 10 0 ADAERN C[C@@H](Nc1cn(C)nn1)C(F)(F)F 575562755 352687955 /nfs/dbraw/zinc/68/79/55/352687955.db2.gz CJIRAMSVZJKTGA-SCSAIBSYSA-N 0 0 194.160 1.178 10 0 ADAERN Cc1c(NC2CC(C)C2)nnn1C 575562817 352688031 /nfs/dbraw/zinc/68/80/31/352688031.db2.gz FCJLVIVDVARQLW-UHFFFAOYSA-N 0 0 180.255 1.334 10 0 ADAERN C/C=C/[C@H](NN)C1CC(C)C1 575562757 352688354 /nfs/dbraw/zinc/68/83/54/352688354.db2.gz CQFGMZLVUYPNDQ-AXQFEKSGSA-N 0 0 154.257 1.441 10 0 ADAERN O=C1NC[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)O1 575562844 352688075 /nfs/dbraw/zinc/68/80/75/352688075.db2.gz LAVNZILKTFDUSR-ULAWRXDQSA-N 0 0 167.208 1.141 10 0 ADAERN C/C=C/[C@@H](NN)C1CC(C)C1 575562761 352688114 /nfs/dbraw/zinc/68/81/14/352688114.db2.gz CQFGMZLVUYPNDQ-VDIVSSJQSA-N 0 0 154.257 1.441 10 0 ADAERN Cc1ccc(O)cc1N[S@](C)=O 575562875 352688126 /nfs/dbraw/zinc/68/81/26/352688126.db2.gz FLKPVDRGTDWXOY-LBPRGKRZSA-N 0 0 185.248 1.406 10 0 ADAERN O=C1NC[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)O1 575562846 352688159 /nfs/dbraw/zinc/68/81/59/352688159.db2.gz LAVNZILKTFDUSR-YWIQKCBGSA-N 0 0 167.208 1.141 10 0 ADAERN Cc1c(N[C@H](C)C2CC2)nnn1C 575562765 352688181 /nfs/dbraw/zinc/68/81/81/352688181.db2.gz CUDOZEABPZZQOH-ZCFIWIBFSA-N 0 0 180.255 1.334 10 0 ADAERN C[C@H](Nc1cn(C)nn1)C(F)(F)F 575562754 352688204 /nfs/dbraw/zinc/68/82/04/352688204.db2.gz CJIRAMSVZJKTGA-BYPYZUCNSA-N 0 0 194.160 1.178 10 0 ADAERN CS[C@@H]1CC[C@H]1N1CCC(=O)CC1 575562829 352688234 /nfs/dbraw/zinc/68/82/34/352688234.db2.gz FPZVUXJYOYXCCV-NXEZZACHSA-N 0 0 199.319 1.545 10 0 ADAERN Cc1c(N[C@@H](C)C2CC2)nnn1C 575562764 352688309 /nfs/dbraw/zinc/68/83/09/352688309.db2.gz CUDOZEABPZZQOH-LURJTMIESA-N 0 0 180.255 1.334 10 0 ADAERN CC1(N2CCNC2=O)CC=CC1 575562973 352688728 /nfs/dbraw/zinc/68/87/28/352688728.db2.gz OQBBNRXKMTZCNK-UHFFFAOYSA-N 0 0 166.224 1.120 10 0 ADAERN N[C@H](C1=CCCCO1)c1ccsn1 575562948 352688769 /nfs/dbraw/zinc/68/87/69/352688769.db2.gz HJGACKKRHCJIRG-VIFPVBQESA-N 0 0 196.275 1.837 10 0 ADAERN N[C@@H](C1=CCCCO1)c1ccsn1 575562947 352688867 /nfs/dbraw/zinc/68/88/67/352688867.db2.gz HJGACKKRHCJIRG-SECBINFHSA-N 0 0 196.275 1.837 10 0 ADAERN NCc1nnc(-c2ccns2)s1 575562995 352689006 /nfs/dbraw/zinc/68/90/06/352689006.db2.gz INYVWGBCGZOCRK-UHFFFAOYSA-N 0 0 198.276 1.120 10 0 ADAERN NCc1ncc(-c2ccns2)o1 575562961 352689063 /nfs/dbraw/zinc/68/90/63/352689063.db2.gz HTZGIKZWGVUOEY-UHFFFAOYSA-N 0 0 181.220 1.257 10 0 ADAERN Oc1cccc(C[C@@H]2CC[C@H]2O)c1 575563075 352689279 /nfs/dbraw/zinc/68/92/79/352689279.db2.gz SOQAKUNKKYGBNG-GXSJLCMTSA-N 0 0 178.231 1.706 10 0 ADAERN Oc1cccc(C[C@@H]2CC[C@@H]2O)c1 575563079 352689306 /nfs/dbraw/zinc/68/93/06/352689306.db2.gz SOQAKUNKKYGBNG-ONGXEEELSA-N 0 0 178.231 1.706 10 0 ADAERN C/C=C/[C@H](NN)C1CCCC1 575563165 352689341 /nfs/dbraw/zinc/68/93/41/352689341.db2.gz HFDPULTULQLFKO-MAHOQKISSA-N 0 0 154.257 1.585 10 0 ADAERN Oc1cccc(C[C@H]2CC[C@H]2O)c1 575563078 352689378 /nfs/dbraw/zinc/68/93/78/352689378.db2.gz SOQAKUNKKYGBNG-MWLCHTKSSA-N 0 0 178.231 1.706 10 0 ADAERN CNC(=O)Nc1cc(O)ccc1C 575563244 352689393 /nfs/dbraw/zinc/68/93/93/352689393.db2.gz TYQONQWUKSPIBV-UHFFFAOYSA-N 0 0 180.207 1.452 10 0 ADAERN CNc1nc([C@]2(C)CC2(C)C)ns1 575563160 352689436 /nfs/dbraw/zinc/68/94/36/352689436.db2.gz GZSSUTBEADNWPL-VIFPVBQESA-N 0 0 197.307 1.689 10 0 ADAERN CS[C@H]1CC[C@H]1N1CCC(=O)CC1 575563132 352689470 /nfs/dbraw/zinc/68/94/70/352689470.db2.gz FPZVUXJYOYXCCV-ZJUUUORDSA-N 0 0 199.319 1.545 10 0 ADAERN CNc1nc([C@@]2(C)CC2(C)C)ns1 575563159 352689482 /nfs/dbraw/zinc/68/94/82/352689482.db2.gz GZSSUTBEADNWPL-SECBINFHSA-N 0 0 197.307 1.689 10 0 ADAERN C/C=C/[C@H](NN)C1CCC1 575563149 352689534 /nfs/dbraw/zinc/68/95/34/352689534.db2.gz FZZVFONVGNSEES-KHVHVRLGSA-N 0 0 140.230 1.195 10 0 ADAERN Oc1cccc(C[C@H]2CC[C@@H]2O)c1 575563077 352689618 /nfs/dbraw/zinc/68/96/18/352689618.db2.gz SOQAKUNKKYGBNG-KOLCDFICSA-N 0 0 178.231 1.706 10 0 ADAERN O=C1CSC(N2CCC23CCC3)=N1 575563186 352689622 /nfs/dbraw/zinc/68/96/22/352689622.db2.gz HSLZKFMKRZLJRI-UHFFFAOYSA-N 0 0 196.275 1.982 10 0 ADAERN C/C=C/[C@@H](NN)C1CCCC1 575563166 352689628 /nfs/dbraw/zinc/68/96/28/352689628.db2.gz HFDPULTULQLFKO-OSOUNJMWSA-N 0 0 154.257 1.585 10 0 ADAERN CS[C@@H]1CC[C@@H]1N1CCC(=O)CC1 575563131 352689651 /nfs/dbraw/zinc/68/96/51/352689651.db2.gz FPZVUXJYOYXCCV-VHSXEESVSA-N 0 0 199.319 1.545 10 0 ADAERN CS[C@H]1CC[C@@H]1N1CCC(=O)CC1 575563130 352689669 /nfs/dbraw/zinc/68/96/69/352689669.db2.gz FPZVUXJYOYXCCV-UWVGGRQHSA-N 0 0 199.319 1.545 10 0 ADAERN O=C1NC[C@H]([C@@H]2CC[C@H]3C[C@H]3C2)O1 575563070 352689707 /nfs/dbraw/zinc/68/97/07/352689707.db2.gz SJIRRSLHHYEPOX-UYXSQOIJSA-N 0 0 181.235 1.531 10 0 ADAERN C/C=C/[C@@H](NN)C1CCC1 575563148 352689711 /nfs/dbraw/zinc/68/97/11/352689711.db2.gz FZZVFONVGNSEES-BYDTYLDUSA-N 0 0 140.230 1.195 10 0 ADAERN O=C1NC[C@H]([C@@H]2CC[C@@H]3C[C@@H]3C2)O1 575563067 352689717 /nfs/dbraw/zinc/68/97/17/352689717.db2.gz SJIRRSLHHYEPOX-FNCVBFRFSA-N 0 0 181.235 1.531 10 0 ADAERN Cc1cc(CNN)cc(C)c1F 575563215 352689730 /nfs/dbraw/zinc/68/97/30/352689730.db2.gz IPNUNEQDYAQQSF-UHFFFAOYSA-N 0 0 168.215 1.406 10 0 ADAERN O=C1N[C@@](C2CCC2)(C2CC2)CO1 575563262 352690075 /nfs/dbraw/zinc/69/00/75/352690075.db2.gz TZBQHCKLUBXVAG-JTQLQIEISA-N 0 0 181.235 1.675 10 0 ADAERN C[C@H](N)c1nnc(-c2ccns2)o1 575563421 352690173 /nfs/dbraw/zinc/69/01/73/352690173.db2.gz LJQNUVNSHGSVRG-BYPYZUCNSA-N 0 0 196.235 1.213 10 0 ADAERN CNC(=O)Nc1cccc(F)c1O 575563400 352690195 /nfs/dbraw/zinc/69/01/95/352690195.db2.gz ZUTHNLDSVKZCQY-UHFFFAOYSA-N 0 0 184.170 1.283 10 0 ADAERN O=C1N[C@](C2CCC2)(C2CC2)CO1 575563264 352690284 /nfs/dbraw/zinc/69/02/84/352690284.db2.gz TZBQHCKLUBXVAG-SNVBAGLBSA-N 0 0 181.235 1.675 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccns2)o1 575563423 352690300 /nfs/dbraw/zinc/69/03/00/352690300.db2.gz LJQNUVNSHGSVRG-SCSAIBSYSA-N 0 0 196.235 1.213 10 0 ADAERN Cc1c(NC2CCC2)nnn1C 575563463 352690622 /nfs/dbraw/zinc/69/06/22/352690622.db2.gz LLUNVXSDHGLGQC-UHFFFAOYSA-N 0 0 166.228 1.088 10 0 ADAERN Cc1ccc([C@@H](O)[C@@H]2CCOC2)[nH]1 575563502 352690644 /nfs/dbraw/zinc/69/06/44/352690644.db2.gz MHXKDDGZBHCELQ-SCZZXKLOSA-N 0 0 181.235 1.393 10 0 ADAERN C/C=C/[C@H](NN)C(F)(F)Cl 575563536 352690686 /nfs/dbraw/zinc/69/06/86/352690686.db2.gz MMBYCBLXHKPKHC-ZPYNKGFJSA-N 0 0 170.590 1.226 10 0 ADAERN CC[C@@H](C)Nc1nnn(C)c1C 575563545 352690910 /nfs/dbraw/zinc/69/09/10/352690910.db2.gz NACAXGRVVQLXRF-ZCFIWIBFSA-N 0 0 168.244 1.334 10 0 ADAERN Cc1ccc([C@H](O)[C@@H]2CCOC2)[nH]1 575563496 352690915 /nfs/dbraw/zinc/69/09/15/352690915.db2.gz MHXKDDGZBHCELQ-PSASIEDQSA-N 0 0 181.235 1.393 10 0 ADAERN Cc1ccc([C@H](O)[C@H]2CCOC2)[nH]1 575563505 352690939 /nfs/dbraw/zinc/69/09/39/352690939.db2.gz MHXKDDGZBHCELQ-WCBMZHEXSA-N 0 0 181.235 1.393 10 0 ADAERN C/C=C/[C@@H](NN)C(F)(F)Cl 575563532 352690960 /nfs/dbraw/zinc/69/09/60/352690960.db2.gz MMBYCBLXHKPKHC-FSSWKIGTSA-N 0 0 170.590 1.226 10 0 ADAERN Cc1ccc([C@@H](O)[C@H]2CCOC2)[nH]1 575563509 352691040 /nfs/dbraw/zinc/69/10/40/352691040.db2.gz MHXKDDGZBHCELQ-WPRPVWTQSA-N 0 0 181.235 1.393 10 0 ADAERN CC[C@H](C)Nc1nnn(C)c1C 575563544 352691048 /nfs/dbraw/zinc/69/10/48/352691048.db2.gz NACAXGRVVQLXRF-LURJTMIESA-N 0 0 168.244 1.334 10 0 ADAERN C[C@H](N)c1ncc(-c2ccsn2)o1 575563592 352691297 /nfs/dbraw/zinc/69/12/97/352691297.db2.gz OUTNDGSBQDTDLE-YFKPBYRVSA-N 0 0 195.247 1.818 10 0 ADAERN S=c1nc(-c2cncs2)cc[nH]1 575563662 352691309 /nfs/dbraw/zinc/69/13/09/352691309.db2.gz PXNOYANLEICKTP-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN C[C@H](Nc1cn(C)nn1)[C@H]1C[C@H]1C 575563552 352691352 /nfs/dbraw/zinc/69/13/52/352691352.db2.gz NMAXYWVYIBUKIC-CSMHCCOUSA-N 0 0 180.255 1.272 10 0 ADAERN C[C@@H](N)c1ncc(-c2ccns2)o1 575563615 352691357 /nfs/dbraw/zinc/69/13/57/352691357.db2.gz QAPZTDZHLJXUKA-RXMQYKEDSA-N 0 0 195.247 1.818 10 0 ADAERN C/C=C/[C@@H](NN)[C@H]1CC12CC2 575563565 352691361 /nfs/dbraw/zinc/69/13/61/352691361.db2.gz OJNPQMAAXWRLCN-YEMZYZDBSA-N 0 0 152.241 1.195 10 0 ADAERN Cn1cc(NC2CC(C)(C)C2)nn1 575563574 352691438 /nfs/dbraw/zinc/69/14/38/352691438.db2.gz PDHTZKVYQBBGRY-UHFFFAOYSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](C)Nc1cn(C)nn1 575563551 352691546 /nfs/dbraw/zinc/69/15/46/352691546.db2.gz NMAXYWVYIBUKIC-BWZBUEFSSA-N 0 0 180.255 1.272 10 0 ADAERN C[C@H](N)c1ncc(-c2ccns2)o1 575563616 352691573 /nfs/dbraw/zinc/69/15/73/352691573.db2.gz QAPZTDZHLJXUKA-YFKPBYRVSA-N 0 0 195.247 1.818 10 0 ADAERN C/C=C/[C@H](NN)[C@@H]1CC12CC2 575563562 352691608 /nfs/dbraw/zinc/69/16/08/352691608.db2.gz OJNPQMAAXWRLCN-HZIBQTDNSA-N 0 0 152.241 1.195 10 0 ADAERN C/C=C/[C@H](NN)[C@H]1CC12CC2 575563564 352691623 /nfs/dbraw/zinc/69/16/23/352691623.db2.gz OJNPQMAAXWRLCN-TZIBCRCASA-N 0 0 152.241 1.195 10 0 ADAERN C[C@@H](NN)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F 575563669 352691661 /nfs/dbraw/zinc/69/16/61/352691661.db2.gz QEFYYWHRTSJZTN-MVIOUDGNSA-N 0 0 176.210 1.130 10 0 ADAERN Cc1c(NCC2CCC2)nnn1C 575563569 352691680 /nfs/dbraw/zinc/69/16/80/352691680.db2.gz OKYZZEJWBYXJHM-UHFFFAOYSA-N 0 0 180.255 1.336 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](C)Nc1cn(C)nn1 575563554 352691786 /nfs/dbraw/zinc/69/17/86/352691786.db2.gz NMAXYWVYIBUKIC-PRJMDXOYSA-N 0 0 180.255 1.272 10 0 ADAERN C[C@@H](N)c1ncc(-c2ccsn2)o1 575563591 352691709 /nfs/dbraw/zinc/69/17/09/352691709.db2.gz OUTNDGSBQDTDLE-RXMQYKEDSA-N 0 0 195.247 1.818 10 0 ADAERN C[C@H](Nc1cn(C)nn1)[C@@H]1C[C@H]1C 575563553 352691739 /nfs/dbraw/zinc/69/17/39/352691739.db2.gz NMAXYWVYIBUKIC-GJMOJQLCSA-N 0 0 180.255 1.272 10 0 ADAERN Cc1c(N[C@@H](C)C(F)F)nnn1C 575563566 352691754 /nfs/dbraw/zinc/69/17/54/352691754.db2.gz OJZOFMXIVHQERX-BYPYZUCNSA-N 0 0 190.197 1.189 10 0 ADAERN C/C=C/[C@@H](NN)[C@@H]1CC12CC2 575563563 352691758 /nfs/dbraw/zinc/69/17/58/352691758.db2.gz OJNPQMAAXWRLCN-RIAPOHOLSA-N 0 0 152.241 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/nfs/dbraw/zinc/69/28/73/352692873.db2.gz XSRBXTAHHCDDFU-XPUUQOCRSA-N 0 0 168.265 1.927 10 0 ADAERN Cc1nc([C@H]([NH3+])[C@@H]2C[C@@H]2C)cn1C 575563864 352692954 /nfs/dbraw/zinc/69/29/54/352692954.db2.gz VAXPVSLMBKJJQH-SKWCMTHISA-N 0 0 179.267 1.384 10 0 ADAERN N[C@H](C1=CCCO1)c1ccsn1 575563916 352692971 /nfs/dbraw/zinc/69/29/71/352692971.db2.gz WOZKTWUMYCZHRZ-QMMMGPOBSA-N 0 0 182.248 1.447 10 0 ADAERN Cc1nc([C@H]([NH3+])[C@H]2C[C@@H]2C)cn1C 575563860 352693016 /nfs/dbraw/zinc/69/30/16/352693016.db2.gz VAXPVSLMBKJJQH-KADJCCMJSA-N 0 0 179.267 1.384 10 0 ADAERN C[C@@H](CC1CC=CC1)NN 575563882 352693029 /nfs/dbraw/zinc/69/30/29/352693029.db2.gz YGQOMBVXRXUXDR-ZETCQYMHSA-N 0 0 140.230 1.195 10 0 ADAERN C[C@@H]1C[C@@]1(C)n1cc[nH]c1=S 575563871 352693083 /nfs/dbraw/zinc/69/30/83/352693083.db2.gz XSRBXTAHHCDDFU-HTRCEHHLSA-N 0 0 168.265 1.927 10 0 ADAERN C[C@H]1C[C@@]1(C)n1cc[nH]c1=S 575563874 352693087 /nfs/dbraw/zinc/69/30/87/352693087.db2.gz XSRBXTAHHCDDFU-POYBYMJQSA-N 0 0 168.265 1.927 10 0 ADAERN C[C@H](N)c1nnc(-c2ccsn2)o1 575563964 352693409 /nfs/dbraw/zinc/69/34/09/352693409.db2.gz XGJQQGGYYYPDHD-BYPYZUCNSA-N 0 0 196.235 1.213 10 0 ADAERN C[C@@H](N)c1nnc(-c2ccsn2)o1 575563965 352693471 /nfs/dbraw/zinc/69/34/71/352693471.db2.gz XGJQQGGYYYPDHD-SCSAIBSYSA-N 0 0 196.235 1.213 10 0 ADAERN O=C1NCC[C@H]1Nc1ccsc1 575564099 352694144 /nfs/dbraw/zinc/69/41/44/352694144.db2.gz BWSXLOSGIJXHTL-SSDOTTSWSA-N 0 0 182.248 1.049 10 0 ADAERN CNC(=O)Nc1cc(C)cc(O)c1 575564170 352694209 /nfs/dbraw/zinc/69/42/09/352694209.db2.gz FIIKNLUZBUOPDA-UHFFFAOYSA-N 0 0 180.207 1.452 10 0 ADAERN O=C1NCC[C@@H]1Nc1ccsc1 575564100 352694234 /nfs/dbraw/zinc/69/42/34/352694234.db2.gz BWSXLOSGIJXHTL-ZETCQYMHSA-N 0 0 182.248 1.049 10 0 ADAERN CC(=O)[C@H](C)CC1(O)CCC1 575564229 352695087 /nfs/dbraw/zinc/69/50/87/352695087.db2.gz DNJCCWMJUJKBSI-SSDOTTSWSA-N 0 0 156.225 1.517 10 0 ADAERN CC(=O)[C@@H](C)CC1(O)CCC1 575564230 352695090 /nfs/dbraw/zinc/69/50/90/352695090.db2.gz DNJCCWMJUJKBSI-ZETCQYMHSA-N 0 0 156.225 1.517 10 0 ADAERN Cc1c[nH]c(N2CC[C@H]3C[C@H]32)n1 575564344 352695586 /nfs/dbraw/zinc/69/55/86/352695586.db2.gz GENKSALWDGJVPK-JGVFFNPUSA-N 0 0 163.224 1.317 10 0 ADAERN O=c1[nH][nH]c(=S)n1[C@H]1C=CCC1 575564325 352695593 /nfs/dbraw/zinc/69/55/93/352695593.db2.gz BZVQMBDDPFLREX-YFKPBYRVSA-N 0 0 183.236 1.164 10 0 ADAERN Cn1nccc1-c1cncc(=S)[nH]1 575564340 352695627 /nfs/dbraw/zinc/69/56/27/352695627.db2.gz FVVPPZLMJUXNFW-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN O=c1cc(C2(Cl)CC2)[nH]c(=O)[nH]1 575564330 352695647 /nfs/dbraw/zinc/69/56/47/352695647.db2.gz DWHISEFQAQCLRX-UHFFFAOYSA-N 0 0 186.598 1.116 10 0 ADAERN O[C@H](C1=COCCC1)c1cn[nH]c1 575564378 352695680 /nfs/dbraw/zinc/69/56/80/352695680.db2.gz JPGAYPLAOFFZEW-SECBINFHSA-N 0 0 180.207 1.137 10 0 ADAERN O=c1[nH][nH]c(=S)n1[C@@H]1C=CCC1 575564324 352695695 /nfs/dbraw/zinc/69/56/95/352695695.db2.gz BZVQMBDDPFLREX-RXMQYKEDSA-N 0 0 183.236 1.164 10 0 ADAERN S=c1cc(-c2cncs2)nc[nH]1 575564414 352695700 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/nfs/dbraw/zinc/70/80/31/352708031.db2.gz MMADYZRRKBWLPK-RKDXNWHRSA-N 0 0 163.220 1.848 10 0 ADAERN C[C@@H]1C(=O)CCN(C2CSC2)[C@H]1C 575566609 352708094 /nfs/dbraw/zinc/70/80/94/352708094.db2.gz VEEZRYCBEBPBCR-YUMQZZPRSA-N 0 0 199.319 1.401 10 0 ADAERN CC[C@H](C)NC(=O)Nc1ncc[nH]1 575566940 352708564 /nfs/dbraw/zinc/70/85/64/352708564.db2.gz YUQDBYMEUALQTQ-LURJTMIESA-N 0 0 182.227 1.330 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)Nc1cn[nH]c1 575566928 352708583 /nfs/dbraw/zinc/70/85/83/352708583.db2.gz YFVDEWZRWQYZFN-HZGVNTEJSA-N 0 0 179.223 1.394 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)Nc1cn[nH]c1 575566932 352708652 /nfs/dbraw/zinc/70/86/52/352708652.db2.gz YFVDEWZRWQYZFN-MUWHJKNJSA-N 0 0 179.223 1.394 10 0 ADAERN Cc1nc([C@H]2CO2)sc1C 575566891 352708662 /nfs/dbraw/zinc/70/86/62/352708662.db2.gz WANPOYVCVZZLTC-ZCFIWIBFSA-N 0 0 155.222 1.831 10 0 ADAERN CC[C@@H](C)NC(=O)Nc1ncc[nH]1 575566943 352708689 /nfs/dbraw/zinc/70/86/89/352708689.db2.gz YUQDBYMEUALQTQ-ZCFIWIBFSA-N 0 0 182.227 1.330 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)Nc1cn[nH]c1 575566929 352708731 /nfs/dbraw/zinc/70/87/31/352708731.db2.gz YFVDEWZRWQYZFN-IMTBSYHQSA-N 0 0 179.223 1.394 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)Nc1cn[nH]c1 575566935 352708736 /nfs/dbraw/zinc/70/87/36/352708736.db2.gz YFVDEWZRWQYZFN-RCOVLWMOSA-N 0 0 179.223 1.394 10 0 ADAERN O=C1CSC[C@@H]1CC1(O)CCC1 575566959 352709155 /nfs/dbraw/zinc/70/91/55/352709155.db2.gz VSFLJGVZZDTAKK-ZETCQYMHSA-N 0 0 186.276 1.224 10 0 ADAERN [NH3+][C@@]1(c2cscn2)CCSC1 575567006 352709235 /nfs/dbraw/zinc/70/92/35/352709235.db2.gz WPCYADIIQDANAR-ZETCQYMHSA-N 0 0 186.305 1.434 10 0 ADAERN O=C1CSC[C@H]1CC1(O)CCC1 575566957 352709249 /nfs/dbraw/zinc/70/92/49/352709249.db2.gz VSFLJGVZZDTAKK-SSDOTTSWSA-N 0 0 186.276 1.224 10 0 ADAERN O=c1ccc(-c2nc(=S)o[n-]2)c[nH]1 575567001 352709279 /nfs/dbraw/zinc/70/92/79/352709279.db2.gz DKAPMKGGUMQZAU-UHFFFAOYSA-N 0 0 195.203 1.500 10 0 ADAERN O=c1[n-]c([C@H]2CCCC23CC3)n[nH]1 575566973 352709312 /nfs/dbraw/zinc/70/93/12/352709312.db2.gz BVMBWYISTNDMBV-ZCFIWIBFSA-N 0 0 179.223 1.558 10 0 ADAERN O=c1[n-]c([C@@H]2CCCC23CC3)n[nH]1 575566972 352709325 /nfs/dbraw/zinc/70/93/25/352709325.db2.gz BVMBWYISTNDMBV-LURJTMIESA-N 0 0 179.223 1.558 10 0 ADAERN [NH3+][C@]1(c2cscn2)CCSC1 575567005 352709379 /nfs/dbraw/zinc/70/93/79/352709379.db2.gz WPCYADIIQDANAR-SSDOTTSWSA-N 0 0 186.305 1.434 10 0 ADAERN Cc1nc([C@H](N)C(C)(F)F)cn1C 575567086 352709848 /nfs/dbraw/zinc/70/98/48/352709848.db2.gz JAOWJPFDLSYUPB-ZETCQYMHSA-N 0 0 189.209 1.384 10 0 ADAERN Cc1nc([C@@H](N)C(C)(F)F)cn1C 575567081 352709860 /nfs/dbraw/zinc/70/98/60/352709860.db2.gz JAOWJPFDLSYUPB-SSDOTTSWSA-N 0 0 189.209 1.384 10 0 ADAERN Cc1csc(-c2cc[nH]c(=O)n2)n1 575567083 352709878 /nfs/dbraw/zinc/70/98/78/352709878.db2.gz HXFXTGNNGWSRHE-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN c1c[nH]c(N2CC[C@H]3C[C@H]32)n1 575567064 352710081 /nfs/dbraw/zinc/71/00/81/352710081.db2.gz HRFSMEZGEQUYRR-NKWVEPMBSA-N 0 0 149.197 1.008 10 0 ADAERN CC(C)C(=O)[C@H]1CNCC1(F)F 575567177 352710088 /nfs/dbraw/zinc/71/00/88/352710088.db2.gz YNJRIOSCLFUWQF-ZCFIWIBFSA-N 0 0 177.194 1.066 10 0 ADAERN Cn1nncc1NC1(C)CC=CC1 575567138 352710163 /nfs/dbraw/zinc/71/01/63/352710163.db2.gz YCZICGMJEOPJEF-UHFFFAOYSA-N 0 0 178.239 1.336 10 0 ADAERN CC(C)C(=O)[C@@H]1CNCC1(F)F 575567176 352710169 /nfs/dbraw/zinc/71/01/69/352710169.db2.gz YNJRIOSCLFUWQF-LURJTMIESA-N 0 0 177.194 1.066 10 0 ADAERN CN(N)c1nc2cc(F)ccc2[nH]1 575567182 352710182 /nfs/dbraw/zinc/71/01/82/352710182.db2.gz OPSVBSLQTNILCP-UHFFFAOYSA-N 0 0 180.186 1.012 10 0 ADAERN O=C1NC[C@](C2CCC2)(C2CC2)O1 575567240 352710592 /nfs/dbraw/zinc/71/05/92/352710592.db2.gz ODSIQSUSDSKCMY-JTQLQIEISA-N 0 0 181.235 1.675 10 0 ADAERN C[C@H](F)CCN1CN=NC1=S 575567283 352710613 /nfs/dbraw/zinc/71/06/13/352710613.db2.gz YYLIEKDPUVPNGW-YFKPBYRVSA-N 0 0 175.232 1.315 10 0 ADAERN O[C@@H]1CC[C@H]1c1ccc[nH]1 575567314 352710699 /nfs/dbraw/zinc/71/06/99/352710699.db2.gz XEYGDSBIVOAEFQ-POYBYMJQSA-N 0 0 137.182 1.253 10 0 ADAERN O[C@H]1CC[C@H]1c1ccc[nH]1 575567321 352710700 /nfs/dbraw/zinc/71/07/00/352710700.db2.gz XEYGDSBIVOAEFQ-XPUUQOCRSA-N 0 0 137.182 1.253 10 0 ADAERN CCc1nc(-c2cocc2C)n[nH]1 575567234 352710732 /nfs/dbraw/zinc/71/07/32/352710732.db2.gz QPQRSFHREUDRBJ-UHFFFAOYSA-N 0 0 177.207 1.936 10 0 ADAERN O[C@H]1CC[C@@H]1c1ccc[nH]1 575567319 352710746 /nfs/dbraw/zinc/71/07/46/352710746.db2.gz XEYGDSBIVOAEFQ-SVRRBLITSA-N 0 0 137.182 1.253 10 0 ADAERN O[C@@H]1CC[C@@H]1c1ccc[nH]1 575567313 352710791 /nfs/dbraw/zinc/71/07/91/352710791.db2.gz XEYGDSBIVOAEFQ-HTRCEHHLSA-N 0 0 137.182 1.253 10 0 ADAERN CC(C)(F)c1nnc(C=O)s1 575567222 352710819 /nfs/dbraw/zinc/71/08/19/352710819.db2.gz JYABYEDPMIDEBD-UHFFFAOYSA-N 0 0 174.200 1.555 10 0 ADAERN C[S@@](=O)Nc1cccc(F)c1O 575567390 352711243 /nfs/dbraw/zinc/71/12/43/352711243.db2.gz UREZOKGRNNVQCX-GFCCVEGCSA-N 0 0 189.211 1.237 10 0 ADAERN CCN1c2ncccc2NC[C@H]1C 575567349 352711288 /nfs/dbraw/zinc/71/12/88/352711288.db2.gz HXLMYQOAPAPXJF-MRVPVSSYSA-N 0 0 177.251 1.722 10 0 ADAERN CCN1c2ncccc2NC[C@@H]1C 575567369 352711443 /nfs/dbraw/zinc/71/14/43/352711443.db2.gz HXLMYQOAPAPXJF-QMMMGPOBSA-N 0 0 177.251 1.722 10 0 ADAERN C[S@](=O)Nc1cccc(F)c1O 575567392 352711446 /nfs/dbraw/zinc/71/14/46/352711446.db2.gz UREZOKGRNNVQCX-LBPRGKRZSA-N 0 0 189.211 1.237 10 0 ADAERN N#CNc1ccc2c(c1)CCN2 575567426 352711454 /nfs/dbraw/zinc/71/14/54/352711454.db2.gz JGSXERJVFRINOX-UHFFFAOYSA-N 0 0 159.192 1.548 10 0 ADAERN C/C=C/[C@H](NC)C(F)F 575567528 352711699 /nfs/dbraw/zinc/71/16/99/352711699.db2.gz KXDMBDMFWIOWCG-BHYDHMSTSA-N 0 0 135.157 1.416 10 0 ADAERN C/C=C/[C@@H](NC)C(F)F 575567529 352711907 /nfs/dbraw/zinc/71/19/07/352711907.db2.gz KXDMBDMFWIOWCG-QLSVQJPWSA-N 0 0 135.157 1.416 10 0 ADAERN COC(=O)Nc1cccc(F)c1O 575567677 352712469 /nfs/dbraw/zinc/71/24/69/352712469.db2.gz XFIPXQDHBMEOAD-UHFFFAOYSA-N 0 0 185.154 1.710 10 0 ADAERN C[C@]1([C@@H]2CCCCO2)COC(=O)N1 575567648 352712478 /nfs/dbraw/zinc/71/24/78/352712478.db2.gz WFEFKHBFGOKIAR-IONNQARKSA-N 0 0 185.223 1.054 10 0 ADAERN C[C@]1([C@H]2CCCCO2)COC(=O)N1 575567649 352712651 /nfs/dbraw/zinc/71/26/51/352712651.db2.gz WFEFKHBFGOKIAR-VXNVDRBHSA-N 0 0 185.223 1.054 10 0 ADAERN C[C@@]1([C@H]2CCCCO2)COC(=O)N1 575567643 352712681 /nfs/dbraw/zinc/71/26/81/352712681.db2.gz WFEFKHBFGOKIAR-APPZFPTMSA-N 0 0 185.223 1.054 10 0 ADAERN C[C@@]1([C@@H]2CCCCO2)COC(=O)N1 575567644 352712687 /nfs/dbraw/zinc/71/26/87/352712687.db2.gz WFEFKHBFGOKIAR-CBAPKCEASA-N 0 0 185.223 1.054 10 0 ADAERN Cc1cc([C@@](C)(N)C(F)F)sn1 575567780 352713051 /nfs/dbraw/zinc/71/30/51/352713051.db2.gz AALVBBZPWGHHOL-SSDOTTSWSA-N 0 0 192.234 1.891 10 0 ADAERN Cc1cc([C@](C)(N)C(F)F)sn1 575567781 352713348 /nfs/dbraw/zinc/71/33/48/352713348.db2.gz AALVBBZPWGHHOL-ZETCQYMHSA-N 0 0 192.234 1.891 10 0 ADAERN O=C1NC[C@@]2(CCCC23CC3)O1 575567878 352713679 /nfs/dbraw/zinc/71/36/79/352713679.db2.gz ZUYFJBMKMFGEDS-SECBINFHSA-N 0 0 167.208 1.429 10 0 ADAERN Cc1nc(Cn2cccc2C)n[nH]1 575567927 352714023 /nfs/dbraw/zinc/71/40/23/352714023.db2.gz DZHBTLJIEWYCQH-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN O=C1NC[C@]2(CCCC23CC3)O1 575567882 352714080 /nfs/dbraw/zinc/71/40/80/352714080.db2.gz ZUYFJBMKMFGEDS-VIFPVBQESA-N 0 0 167.208 1.429 10 0 ADAERN CC1CC(c2nnc(C=O)s2)C1 575567981 352714382 /nfs/dbraw/zinc/71/43/82/352714382.db2.gz BBKUAPHLWRJVMG-UHFFFAOYSA-N 0 0 182.248 1.864 10 0 ADAERN Cc1cc(C)n(Cc2nc[nH]n2)c1 575568030 352714383 /nfs/dbraw/zinc/71/43/83/352714383.db2.gz NACIOJCGFPPXPC-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN O=Cc1cnc([C@@]23CCC[C@@H]2C3)o1 575568029 352714387 /nfs/dbraw/zinc/71/43/87/352714387.db2.gz DBFBHMPERKEUDK-GMSGAONNSA-N 0 0 177.203 1.929 10 0 ADAERN Cc1c[nH]c([C@H](O)c2ccns2)n1 575568019 352714410 /nfs/dbraw/zinc/71/44/10/352714410.db2.gz MAMGDSLVMJRMAI-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1ccc([C@H](O)C(F)F)[nH]1 575567978 352714440 /nfs/dbraw/zinc/71/44/40/352714440.db2.gz IDATUTASLWTMJA-LURJTMIESA-N 0 0 161.151 1.622 10 0 ADAERN O[C@H](C1=COCCC1)c1ncc[nH]1 575568003 352714454 /nfs/dbraw/zinc/71/44/54/352714454.db2.gz KTZLHODXXJAQAQ-MRVPVSSYSA-N 0 0 180.207 1.137 10 0 ADAERN O[C@@H](C1=COCCC1)c1ncc[nH]1 575568013 352714476 /nfs/dbraw/zinc/71/44/76/352714476.db2.gz KTZLHODXXJAQAQ-QMMMGPOBSA-N 0 0 180.207 1.137 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ccc(N)cn1 575568021 352714495 /nfs/dbraw/zinc/71/44/95/352714495.db2.gz DAEIHZSIXHUQSC-XVKPBYJWSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ccc(N)cn1 575568004 352714580 /nfs/dbraw/zinc/71/45/80/352714580.db2.gz DAEIHZSIXHUQSC-GMSGAONNSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ccc(N)cn1 575568010 352714653 /nfs/dbraw/zinc/71/46/53/352714653.db2.gz DAEIHZSIXHUQSC-OIBJUYFYSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1c[nH]c(N2CCC[C@H](F)C2)n1 575568068 352714656 /nfs/dbraw/zinc/71/46/56/352714656.db2.gz SYUWWCBGUXROMP-QMMMGPOBSA-N 0 0 183.230 1.656 10 0 ADAERN O=Cc1cnc([C@]23CCC[C@H]2C3)o1 575568042 352714662 /nfs/dbraw/zinc/71/46/62/352714662.db2.gz DBFBHMPERKEUDK-XVKPBYJWSA-N 0 0 177.203 1.929 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2ccns2)n1 575568025 352714668 /nfs/dbraw/zinc/71/46/68/352714668.db2.gz MAMGDSLVMJRMAI-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1c[nH]c(N2CCC[C@@H](F)C2)n1 575568065 352714709 /nfs/dbraw/zinc/71/47/09/352714709.db2.gz SYUWWCBGUXROMP-MRVPVSSYSA-N 0 0 183.230 1.656 10 0 ADAERN Cc1ccc([C@@H](O)C(F)F)[nH]1 575567993 352714713 /nfs/dbraw/zinc/71/47/13/352714713.db2.gz IDATUTASLWTMJA-ZCFIWIBFSA-N 0 0 161.151 1.622 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ccc(N)cn1 575568014 352714719 /nfs/dbraw/zinc/71/47/19/352714719.db2.gz DAEIHZSIXHUQSC-XCBNKYQSSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1nc(N2CC[C@H]2C)sc1C=O 575568128 352715048 /nfs/dbraw/zinc/71/50/48/352715048.db2.gz OMGCABSSKCNRIL-ZCFIWIBFSA-N 0 0 196.275 1.863 10 0 ADAERN Cc1nc(N2CC[C@@H]2C)sc1C=O 575568126 352715065 /nfs/dbraw/zinc/71/50/65/352715065.db2.gz OMGCABSSKCNRIL-LURJTMIESA-N 0 0 196.275 1.863 10 0 ADAERN CS[C@H]1CC[C@H]1n1cc[nH]c1=O 575568095 352715071 /nfs/dbraw/zinc/71/50/71/352715071.db2.gz UMWMSCXDWXCDNB-RQJHMYQMSA-N 0 0 184.264 1.655 10 0 ADAERN O=Cc1cnc(-c2cnsn2)o1 575568090 352715190 /nfs/dbraw/zinc/71/51/90/352715190.db2.gz DNWKMOVKDWVXCG-UHFFFAOYSA-N 0 0 181.176 1.006 10 0 ADAERN CS[C@H]1CC[C@@H]1n1cc[nH]c1=O 575568081 352715200 /nfs/dbraw/zinc/71/52/00/352715200.db2.gz UMWMSCXDWXCDNB-BQBZGAKWSA-N 0 0 184.264 1.655 10 0 ADAERN CS[C@@H]1CC[C@H]1n1cc[nH]c1=O 575568091 352715231 /nfs/dbraw/zinc/71/52/31/352715231.db2.gz UMWMSCXDWXCDNB-RNFRBKRXSA-N 0 0 184.264 1.655 10 0 ADAERN Cc1cccn1Cc1cc[nH]n1 575568117 352715360 /nfs/dbraw/zinc/71/53/60/352715360.db2.gz YUALOUJWILTTMF-UHFFFAOYSA-N 0 0 161.208 1.568 10 0 ADAERN CS[C@@H]1CC[C@@H]1n1cc[nH]c1=O 575568086 352715415 /nfs/dbraw/zinc/71/54/15/352715415.db2.gz UMWMSCXDWXCDNB-NKWVEPMBSA-N 0 0 184.264 1.655 10 0 ADAERN CC(C)C(=O)C[N@@H+]1CC[C@H]1C 575568243 352715753 /nfs/dbraw/zinc/71/57/53/352715753.db2.gz PIUFUGWKYNAUQR-MRVPVSSYSA-N 0 0 155.241 1.306 10 0 ADAERN C/C=C/[C@@H](N)C(F)F 575568240 352716020 /nfs/dbraw/zinc/71/60/20/352716020.db2.gz PILKNQBROYWKTM-FSSWKIGTSA-N 0 0 121.130 1.155 10 0 ADAERN CC(C)C(=O)C[N@@H+]1CC[C@@H]1C 575568246 352716056 /nfs/dbraw/zinc/71/60/56/352716056.db2.gz PIUFUGWKYNAUQR-QMMMGPOBSA-N 0 0 155.241 1.306 10 0 ADAERN C/C=C/[C@H](N)C(F)F 575568241 352716113 /nfs/dbraw/zinc/71/61/13/352716113.db2.gz PILKNQBROYWKTM-ZPYNKGFJSA-N 0 0 121.130 1.155 10 0 ADAERN Cc1csc(NC2CC(CO)C2)n1 575568377 352716379 /nfs/dbraw/zinc/71/63/79/352716379.db2.gz FSRYBRKLTDDPSE-UHFFFAOYSA-N 0 0 198.291 1.634 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H]([NH3+])C(=O)[O-])CC1 575568516 352717063 /nfs/dbraw/zinc/71/70/63/352717063.db2.gz DZLKTNIRUUMVGF-IWSPIJDZSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1c([C@]2(C)C[C@H]2C)nn(C)c1N 575568587 352717068 /nfs/dbraw/zinc/71/70/68/352717068.db2.gz AATQNYFCCPLGFT-LHLIQPBNSA-N 0 0 179.267 1.608 10 0 ADAERN C/C=C/[C@@H](NC)c1csnn1 575568453 352717086 /nfs/dbraw/zinc/71/70/86/352717086.db2.gz QNUQTRKTYUWVDX-FCJGRKLLSA-N 0 0 169.253 1.375 10 0 ADAERN CC(F)(F)Cn1cc[nH]c1=S 575568564 352717108 /nfs/dbraw/zinc/71/71/08/352717108.db2.gz GRHAQYFDTLSHRT-UHFFFAOYSA-N 0 0 178.207 1.827 10 0 ADAERN C[C@@H](F)CCn1cc[nH]c1=S 575568530 352717176 /nfs/dbraw/zinc/71/71/76/352717176.db2.gz FMUNMRZIOVYBFE-ZCFIWIBFSA-N 0 0 174.244 1.920 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]([NH3+])C(=O)[O-])CC1 575568515 352717223 /nfs/dbraw/zinc/71/72/23/352717223.db2.gz DZLKTNIRUUMVGF-HRDYMLBCSA-N 0 0 185.267 1.615 10 0 ADAERN Cc1c([C@@]2(C)C[C@H]2C)nn(C)c1N 575568580 352717309 /nfs/dbraw/zinc/71/73/09/352717309.db2.gz AATQNYFCCPLGFT-LDWIPMOCSA-N 0 0 179.267 1.608 10 0 ADAERN C[C@H](F)CCn1cc[nH]c1=S 575568528 352717280 /nfs/dbraw/zinc/71/72/80/352717280.db2.gz FMUNMRZIOVYBFE-LURJTMIESA-N 0 0 174.244 1.920 10 0 ADAERN C/C=C/[C@H](NC)c1csnn1 575568454 352717311 /nfs/dbraw/zinc/71/73/11/352717311.db2.gz QNUQTRKTYUWVDX-YUDCMIJISA-N 0 0 169.253 1.375 10 0 ADAERN Cc1c([C@]2(C)C[C@@H]2C)nn(C)c1N 575568591 352717321 /nfs/dbraw/zinc/71/73/21/352717321.db2.gz AATQNYFCCPLGFT-QUBYGPBYSA-N 0 0 179.267 1.608 10 0 ADAERN Cc1ncsc1[C@](C)(N)C(F)F 575568777 352717705 /nfs/dbraw/zinc/71/77/05/352717705.db2.gz FVOZALKKBOSGIU-ZETCQYMHSA-N 0 0 192.234 1.891 10 0 ADAERN Cc1ccc([C@@]2([NH3+])COC[C@@H]2C)s1 575568632 352717716 /nfs/dbraw/zinc/71/77/16/352717716.db2.gz FQIYBRZQRLFWSJ-OIBJUYFYSA-N 0 0 197.303 1.877 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cnnn1C 575568634 352717732 /nfs/dbraw/zinc/71/77/32/352717732.db2.gz ACZVJEGHRVPUPI-HZGVNTEJSA-N 0 0 179.223 1.044 10 0 ADAERN Cc1nc([C@H](N)C(F)(F)F)cn1C 575568718 352717738 /nfs/dbraw/zinc/71/77/38/352717738.db2.gz SSGVHDSNPMGTAH-LURJTMIESA-N 0 0 193.172 1.291 10 0 ADAERN O=Cc1cnc(-c2cnns2)o1 575568748 352717781 /nfs/dbraw/zinc/71/77/81/352717781.db2.gz GCZBDFBVJFQWIR-UHFFFAOYSA-N 0 0 181.176 1.006 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cnnn1C 575568661 352717786 /nfs/dbraw/zinc/71/77/86/352717786.db2.gz ACZVJEGHRVPUPI-MUWHJKNJSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@](N)(c1ccsn1)C(F)(F)F 575568669 352717795 /nfs/dbraw/zinc/71/77/95/352717795.db2.gz FRJCFAFTTVXERF-RXMQYKEDSA-N 0 0 196.197 1.879 10 0 ADAERN Cc1ncsc1[C@@](C)(N)C(F)F 575568773 352717815 /nfs/dbraw/zinc/71/78/15/352717815.db2.gz FVOZALKKBOSGIU-SSDOTTSWSA-N 0 0 192.234 1.891 10 0 ADAERN CC(=O)CN1CCCC(F)(F)CC1 575568611 352717850 /nfs/dbraw/zinc/71/78/50/352717850.db2.gz FXLHCAQKEFARKV-UHFFFAOYSA-N 0 0 191.221 1.697 10 0 ADAERN C[C@](N)(c1ccsn1)C(F)(F)F 575568689 352717883 /nfs/dbraw/zinc/71/78/83/352717883.db2.gz FRJCFAFTTVXERF-YFKPBYRVSA-N 0 0 196.197 1.879 10 0 ADAERN Cc1c([C@@]2(C)C[C@@H]2C)nn(C)c1N 575568621 352717893 /nfs/dbraw/zinc/71/78/93/352717893.db2.gz AATQNYFCCPLGFT-WKEGUHRASA-N 0 0 179.267 1.608 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cnnn1C 575568647 352717916 /nfs/dbraw/zinc/71/79/16/352717916.db2.gz ACZVJEGHRVPUPI-IMTBSYHQSA-N 0 0 179.223 1.044 10 0 ADAERN Cc1nc([C@@H](N)C(F)(F)F)cn1C 575568733 352717944 /nfs/dbraw/zinc/71/79/44/352717944.db2.gz SSGVHDSNPMGTAH-ZCFIWIBFSA-N 0 0 193.172 1.291 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cnnn1C 575568670 352717949 /nfs/dbraw/zinc/71/79/49/352717949.db2.gz ACZVJEGHRVPUPI-RCOVLWMOSA-N 0 0 179.223 1.044 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)NN2)s1 575568869 352718414 /nfs/dbraw/zinc/71/84/14/352718414.db2.gz DFHVHTNHBOOBCO-LURJTMIESA-N 0 0 182.248 1.122 10 0 ADAERN Clc1ccc(N[C@H]2CNOC2)cn1 575568878 352718436 /nfs/dbraw/zinc/71/84/36/352718436.db2.gz AVHWLDNNBQBBTI-ZETCQYMHSA-N 0 0 199.641 1.050 10 0 ADAERN Clc1ccc(N[C@@H]2CNOC2)cn1 575568871 352718442 /nfs/dbraw/zinc/71/84/42/352718442.db2.gz AVHWLDNNBQBBTI-SSDOTTSWSA-N 0 0 199.641 1.050 10 0 ADAERN C[C@@H]1C[C@]1(C)CN=c1nc[n-]s1 575568955 352718448 /nfs/dbraw/zinc/71/84/48/352718448.db2.gz HDANUEPGRMFETM-HTRCEHHLSA-N 0 0 183.280 1.418 10 0 ADAERN Cc1ccc([C@H]2CC(=O)NN2)s1 575568887 352718466 /nfs/dbraw/zinc/71/84/66/352718466.db2.gz DFHVHTNHBOOBCO-ZCFIWIBFSA-N 0 0 182.248 1.122 10 0 ADAERN C[C@H]1C[C@]1(C)CN=c1nc[n-]s1 575568965 352718573 /nfs/dbraw/zinc/71/85/73/352718573.db2.gz HDANUEPGRMFETM-POYBYMJQSA-N 0 0 183.280 1.418 10 0 ADAERN C[C@H]1C[C@@]1(C)c1cc(N)on1 575568976 352718972 /nfs/dbraw/zinc/71/89/72/352718972.db2.gz BHDAZLHJFXTZFX-YLWLKBPMSA-N 0 0 152.197 1.554 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1cc(N)on1 575568972 352719000 /nfs/dbraw/zinc/71/90/00/352719000.db2.gz BHDAZLHJFXTZFX-SVGQVSJJSA-N 0 0 152.197 1.554 10 0 ADAERN C[C@@H]1C[C@H]1c1ncc(C[NH3+])o1 575569009 352719022 /nfs/dbraw/zinc/71/90/22/352719022.db2.gz HKIMCZVMPOBXPW-IYSWYEEDSA-N 0 0 152.197 1.257 10 0 ADAERN C[C@H]1C[C@@H]1c1ncc(C[NH3+])o1 575569004 352719034 /nfs/dbraw/zinc/71/90/34/352719034.db2.gz HKIMCZVMPOBXPW-FSPLSTOPSA-N 0 0 152.197 1.257 10 0 ADAERN C[C@@H]1C[C@]1(C)c1cc(N)on1 575568974 352719080 /nfs/dbraw/zinc/71/90/80/352719080.db2.gz BHDAZLHJFXTZFX-XRGYYRRGSA-N 0 0 152.197 1.554 10 0 ADAERN C[C@H]1C[C@H]1c1ncc(C[NH3+])o1 575569003 352719120 /nfs/dbraw/zinc/71/91/20/352719120.db2.gz HKIMCZVMPOBXPW-CAHLUQPWSA-N 0 0 152.197 1.257 10 0 ADAERN C[C@H]1C[C@]1(C)c1cc(N)on1 575568973 352719241 /nfs/dbraw/zinc/71/92/41/352719241.db2.gz BHDAZLHJFXTZFX-XNCJUZBTSA-N 0 0 152.197 1.554 10 0 ADAERN Cn1nccc1-c1c[nH]c(=S)cn1 575569211 352719593 /nfs/dbraw/zinc/71/95/93/352719593.db2.gz ANAOJMUQNDBYRT-UHFFFAOYSA-N 0 0 192.247 1.540 10 0 ADAERN C/C=C/[C@H](NN)[C@H]1CCSC1 575569175 352719604 /nfs/dbraw/zinc/71/96/04/352719604.db2.gz ACFPFEGYKRVLDD-HZIBQTDNSA-N 0 0 172.297 1.148 10 0 ADAERN OCC1CC(Nc2ccccn2)C1 575569253 352719670 /nfs/dbraw/zinc/71/96/70/352719670.db2.gz IFBSHFVUMUQVIG-UHFFFAOYSA-N 0 0 178.235 1.264 10 0 ADAERN CC[S@](=O)Nc1cc(C)cc(O)c1 575569176 352719716 /nfs/dbraw/zinc/71/97/16/352719716.db2.gz HWYUESFMONOHST-ZDUSSCGKSA-N 0 0 199.275 1.796 10 0 ADAERN Cc1cccn1C[C@@H]1CCC(=O)N1 575569201 352719736 /nfs/dbraw/zinc/71/97/36/352719736.db2.gz INDSPTRFLKZQCQ-VIFPVBQESA-N 0 0 178.235 1.075 10 0 ADAERN C/C=C/[C@@H](NN)[C@@H]1CCSC1 575569205 352719749 /nfs/dbraw/zinc/71/97/49/352719749.db2.gz ACFPFEGYKRVLDD-YEMZYZDBSA-N 0 0 172.297 1.148 10 0 ADAERN Cc1c[nH]nc1-c1nnc(C=O)s1 575569119 352719770 /nfs/dbraw/zinc/71/97/70/352719770.db2.gz GTYZFLRWAGJJHM-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN C/C=C/[C@@H](NN)[C@H]1CCSC1 575569182 352719794 /nfs/dbraw/zinc/71/97/94/352719794.db2.gz ACFPFEGYKRVLDD-RIAPOHOLSA-N 0 0 172.297 1.148 10 0 ADAERN Cc1cccn1C[C@H]1CCC(=O)N1 575569197 352719798 /nfs/dbraw/zinc/71/97/98/352719798.db2.gz INDSPTRFLKZQCQ-SECBINFHSA-N 0 0 178.235 1.075 10 0 ADAERN C[C@](N)(c1ccns1)C(F)F 575569146 352719825 /nfs/dbraw/zinc/71/98/25/352719825.db2.gz GWZYPVGIMYWHCF-LURJTMIESA-N 0 0 178.207 1.582 10 0 ADAERN CC[S@@](=O)Nc1cc(C)cc(O)c1 575569172 352719842 /nfs/dbraw/zinc/71/98/42/352719842.db2.gz HWYUESFMONOHST-CYBMUJFWSA-N 0 0 199.275 1.796 10 0 ADAERN C/C=C/[C@H](NN)[C@@H]1CCSC1 575569200 352719873 /nfs/dbraw/zinc/71/98/73/352719873.db2.gz ACFPFEGYKRVLDD-TZIBCRCASA-N 0 0 172.297 1.148 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@H]1CCC(=O)C1 575569342 352720139 /nfs/dbraw/zinc/72/01/39/352720139.db2.gz TZACYYFKEDFAEE-YUMQZZPRSA-N 0 0 153.225 1.202 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@H]1CCC(=O)C1 575569341 352720159 /nfs/dbraw/zinc/72/01/59/352720159.db2.gz TZACYYFKEDFAEE-SFYZADRCSA-N 0 0 153.225 1.202 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ncncc1N 575569287 352720183 /nfs/dbraw/zinc/72/01/83/352720183.db2.gz IFIOPVLYNNVEAW-MUWHJKNJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@]1([C@H]2CCCCO2)CC(=O)CO1 575569321 352720215 /nfs/dbraw/zinc/72/02/15/352720215.db2.gz SZGHMXGBGQXVFO-NXEZZACHSA-N 0 0 184.235 1.304 10 0 ADAERN C/C=C/[C@@H](N)c1snnc1C 575569369 352720219 /nfs/dbraw/zinc/72/02/19/352720219.db2.gz UQKQXCGXRBAKSY-FCJGRKLLSA-N 0 0 169.253 1.422 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@@H]1CCC(=O)C1 575569340 352720265 /nfs/dbraw/zinc/72/02/65/352720265.db2.gz TZACYYFKEDFAEE-JGVFFNPUSA-N 0 0 153.225 1.202 10 0 ADAERN CC1N=NC(=S)N1[C@]1(C)C[C@H]1C 575569463 352720274 /nfs/dbraw/zinc/72/02/74/352720274.db2.gz KITUXKGODDOTPA-SVGQVSJJSA-N 0 0 183.280 1.630 10 0 ADAERN CC1N=NC(=S)N1[C@@]1(C)C[C@@H]1C 575569468 352720276 /nfs/dbraw/zinc/72/02/76/352720276.db2.gz KITUXKGODDOTPA-XNCJUZBTSA-N 0 0 183.280 1.630 10 0 ADAERN Cc1cocc1C1N=NC(=O)O1 575569457 352720289 /nfs/dbraw/zinc/72/02/89/352720289.db2.gz FPGRKJBFQZRIKX-UHFFFAOYSA-N 0 0 166.136 1.344 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@@H]1CCC(=O)C1 575569339 352720368 /nfs/dbraw/zinc/72/03/68/352720368.db2.gz TZACYYFKEDFAEE-HTQZYQBOSA-N 0 0 153.225 1.202 10 0 ADAERN C/C=C/[C@H](N)c1snnc1C 575569373 352720431 /nfs/dbraw/zinc/72/04/31/352720431.db2.gz UQKQXCGXRBAKSY-YUDCMIJISA-N 0 0 169.253 1.422 10 0 ADAERN C/C=C/[C@H]([NH2+]C)c1cnns1 575569296 352720436 /nfs/dbraw/zinc/72/04/36/352720436.db2.gz STZJWYUCZOCYLU-YUDCMIJISA-N 0 0 169.253 1.375 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ncncc1N 575569266 352720495 /nfs/dbraw/zinc/72/04/95/352720495.db2.gz IFIOPVLYNNVEAW-HZGVNTEJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@]1([C@@H]2CCCCO2)CC(=O)CO1 575569322 352720502 /nfs/dbraw/zinc/72/05/02/352720502.db2.gz SZGHMXGBGQXVFO-UWVGGRQHSA-N 0 0 184.235 1.304 10 0 ADAERN C[C@@]1([C@H]2CCCCO2)CC(=O)CO1 575569332 352720519 /nfs/dbraw/zinc/72/05/19/352720519.db2.gz SZGHMXGBGQXVFO-ZJUUUORDSA-N 0 0 184.235 1.304 10 0 ADAERN C[C@]1([C@@H]2CCCCO2)CC(=O)CO1 575569330 352720546 /nfs/dbraw/zinc/72/05/46/352720546.db2.gz SZGHMXGBGQXVFO-VHSXEESVSA-N 0 0 184.235 1.304 10 0 ADAERN C[C@H]1CC[N@@H+]1CC(=O)C1CC1 575569334 352720555 /nfs/dbraw/zinc/72/05/55/352720555.db2.gz TUEJPHNUNRXMGK-ZETCQYMHSA-N 0 0 153.225 1.060 10 0 ADAERN S=C1N=NCN1C[C@H]1C[C@@H]2C[C@@H]2C1 575569297 352720561 /nfs/dbraw/zinc/72/05/61/352720561.db2.gz BBQBPWZFOMTXQB-RNLVFQAGSA-N 0 0 195.291 1.613 10 0 ADAERN C[C@@H]1CC[N@@H+]1CC(=O)C1CC1 575569333 352720563 /nfs/dbraw/zinc/72/05/63/352720563.db2.gz TUEJPHNUNRXMGK-SSDOTTSWSA-N 0 0 153.225 1.060 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ncncc1N 575569280 352720581 /nfs/dbraw/zinc/72/05/81/352720581.db2.gz IFIOPVLYNNVEAW-IMTBSYHQSA-N 0 0 178.239 1.269 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2ccsn2)n1 575569495 352720928 /nfs/dbraw/zinc/72/09/28/352720928.db2.gz KRSOTAHUOJWAHA-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN Cc1cc([C@H](C)NN)cc(C)c1F 575569512 352720940 /nfs/dbraw/zinc/72/09/40/352720940.db2.gz KUIHZOGZHHHSGK-QMMMGPOBSA-N 0 0 182.242 1.967 10 0 ADAERN CC1N=NC(=S)N1[C@@]1(C)C[C@H]1C 575569471 352720945 /nfs/dbraw/zinc/72/09/45/352720945.db2.gz KITUXKGODDOTPA-XRGYYRRGSA-N 0 0 183.280 1.630 10 0 ADAERN Cc1c[nH]c([C@H](O)c2ccsn2)n1 575569491 352720982 /nfs/dbraw/zinc/72/09/82/352720982.db2.gz KRSOTAHUOJWAHA-SSDOTTSWSA-N 0 0 195.247 1.256 10 0 ADAERN Cn1nc(C(C)(C)C(F)F)cc1N 575569570 352721007 /nfs/dbraw/zinc/72/10/07/352721007.db2.gz CODVAEYGTKEKNL-UHFFFAOYSA-N 0 0 189.209 1.545 10 0 ADAERN N[C@H](c1ccc[nH]1)c1ccns1 575569496 352721021 /nfs/dbraw/zinc/72/10/21/352721021.db2.gz VPYWXKINRNHQJA-MRVPVSSYSA-N 0 0 179.248 1.519 10 0 ADAERN CC1N=NC(=S)N1C[C@]1(C)C[C@H]1C 575569580 352721031 /nfs/dbraw/zinc/72/10/31/352721031.db2.gz GPDDQTRXXZCEOE-MUWHJKNJSA-N 0 0 197.307 1.921 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ncncc1N 575569596 352721049 /nfs/dbraw/zinc/72/10/49/352721049.db2.gz IFIOPVLYNNVEAW-RCOVLWMOSA-N 0 0 178.239 1.269 10 0 ADAERN c1ccc(N[C@@H]2CNOC2)cc1 575569602 352721083 /nfs/dbraw/zinc/72/10/83/352721083.db2.gz IFYQAZJRQGAZAA-SECBINFHSA-N 0 0 164.208 1.002 10 0 ADAERN c1ccc(N[C@H]2CNOC2)cc1 575569612 352721205 /nfs/dbraw/zinc/72/12/05/352721205.db2.gz IFYQAZJRQGAZAA-VIFPVBQESA-N 0 0 164.208 1.002 10 0 ADAERN O=c1cccc(-c2cncs2)[nH]1 575569592 352721164 /nfs/dbraw/zinc/72/11/64/352721164.db2.gz GPLVTURRIFAHHV-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN N[C@@H](c1ccc[nH]1)c1ccns1 575569499 352721193 /nfs/dbraw/zinc/72/11/93/352721193.db2.gz VPYWXKINRNHQJA-QMMMGPOBSA-N 0 0 179.248 1.519 10 0 ADAERN CC1N=NC(=S)N1[C@]1(C)C[C@@H]1C 575569474 352721229 /nfs/dbraw/zinc/72/12/29/352721229.db2.gz KITUXKGODDOTPA-YLWLKBPMSA-N 0 0 183.280 1.630 10 0 ADAERN CC1N=NC(=S)N1C[C@@]1(C)C[C@@H]1C 575569578 352721248 /nfs/dbraw/zinc/72/12/48/352721248.db2.gz GPDDQTRXXZCEOE-IMTBSYHQSA-N 0 0 197.307 1.921 10 0 ADAERN CNc1cncc(N[C@@H](C)CF)n1 575569560 352721315 /nfs/dbraw/zinc/72/13/15/352721315.db2.gz CNVJSNWAKUVZHJ-LURJTMIESA-N 0 0 184.218 1.288 10 0 ADAERN CNc1cncc(N[C@H](C)CF)n1 575569569 352721320 /nfs/dbraw/zinc/72/13/20/352721320.db2.gz CNVJSNWAKUVZHJ-ZCFIWIBFSA-N 0 0 184.218 1.288 10 0 ADAERN CC1N=NC(=S)N1C[C@@]1(C)C[C@H]1C 575569552 352721325 /nfs/dbraw/zinc/72/13/25/352721325.db2.gz GPDDQTRXXZCEOE-HZGVNTEJSA-N 0 0 197.307 1.921 10 0 ADAERN CC1N=NC(=S)N1C[C@]1(C)C[C@@H]1C 575569588 352721353 /nfs/dbraw/zinc/72/13/53/352721353.db2.gz GPDDQTRXXZCEOE-RCOVLWMOSA-N 0 0 197.307 1.921 10 0 ADAERN Cc1cc([C@@H](C)NN)cc(C)c1F 575569504 352721396 /nfs/dbraw/zinc/72/13/96/352721396.db2.gz KUIHZOGZHHHSGK-MRVPVSSYSA-N 0 0 182.242 1.967 10 0 ADAERN Cc1ccccc1N[C@H]1CNOC1 575569689 352721948 /nfs/dbraw/zinc/72/19/48/352721948.db2.gz IMLZHYDWPXHURK-VIFPVBQESA-N 0 0 178.235 1.310 10 0 ADAERN Cc1ccccc1N[C@@H]1CNOC1 575569668 352722051 /nfs/dbraw/zinc/72/20/51/352722051.db2.gz IMLZHYDWPXHURK-SECBINFHSA-N 0 0 178.235 1.310 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1cc(N)n(C)n1 575569803 352722373 /nfs/dbraw/zinc/72/23/73/352722373.db2.gz DQVSOYVZKZFOEW-HZGVNTEJSA-N 0 0 165.240 1.300 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cnn(C)c1 575569871 352722386 /nfs/dbraw/zinc/72/23/86/352722386.db2.gz FBOYSPDBIMZCAA-GMSGAONNSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@]1(C)c1cc(N)n(C)n1 575569810 352722395 /nfs/dbraw/zinc/72/23/95/352722395.db2.gz DQVSOYVZKZFOEW-MUWHJKNJSA-N 0 0 165.240 1.300 10 0 ADAERN CC1N=NC(=S)N1C1(C2CC2)CC1 575569775 352722416 /nfs/dbraw/zinc/72/24/16/352722416.db2.gz NHGHBKMYYCRDHK-UHFFFAOYSA-N 0 0 195.291 1.774 10 0 ADAERN S=C1N=NCN1[C@@H]1CCC[C@@H]2C[C@@H]21 575569767 352722437 /nfs/dbraw/zinc/72/24/37/352722437.db2.gz HVYPZEXZXVSTDA-GJMOJQLCSA-N 0 0 195.291 1.928 10 0 ADAERN C[C@H]([NH3+])c1noc([C@@]2(C)C[C@@H]2C)n1 575569773 352722492 /nfs/dbraw/zinc/72/24/92/352722492.db2.gz DOOSWCXCDQCCJE-WATHFIQWSA-N 0 0 181.239 1.387 10 0 ADAERN C[C@H]1C[C@@]1(C)c1cc(N)n(C)n1 575569807 352722538 /nfs/dbraw/zinc/72/25/38/352722538.db2.gz DQVSOYVZKZFOEW-IMTBSYHQSA-N 0 0 165.240 1.300 10 0 ADAERN C[C@H]1C[C@]1(C)c1cc(N)n(C)n1 575569813 352722581 /nfs/dbraw/zinc/72/25/81/352722581.db2.gz DQVSOYVZKZFOEW-RCOVLWMOSA-N 0 0 165.240 1.300 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ncc(N)s1 575569837 352722594 /nfs/dbraw/zinc/72/25/94/352722594.db2.gz JFFLTEFERNNERG-XRGYYRRGSA-N 0 0 183.280 1.936 10 0 ADAERN S=C1N=NCN1[C@@H]1CCC[C@H]2C[C@H]21 575569782 352722609 /nfs/dbraw/zinc/72/26/09/352722609.db2.gz HVYPZEXZXVSTDA-XLPZGREQSA-N 0 0 195.291 1.928 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ncc(N)s1 575569836 352722620 /nfs/dbraw/zinc/72/26/20/352722620.db2.gz JFFLTEFERNNERG-XNCJUZBTSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ncc(N)s1 575569840 352722636 /nfs/dbraw/zinc/72/26/36/352722636.db2.gz JFFLTEFERNNERG-YLWLKBPMSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cnn(C)c1 575569875 352722661 /nfs/dbraw/zinc/72/26/61/352722661.db2.gz FBOYSPDBIMZCAA-OIBJUYFYSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ncc(N)s1 575569816 352722681 /nfs/dbraw/zinc/72/26/81/352722681.db2.gz JFFLTEFERNNERG-SVGQVSJJSA-N 0 0 183.280 1.936 10 0 ADAERN C[C@@H]1CC[C@H]([C@H]([NH3+])C(=O)[O-])[C@H](C)C1 575569867 352722715 /nfs/dbraw/zinc/72/27/15/352722715.db2.gz NMBMMGVPAFWENF-HXFLIBJXSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cnn(C)c1 575569878 352723153 /nfs/dbraw/zinc/72/31/53/352723153.db2.gz FBOYSPDBIMZCAA-XCBNKYQSSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cn(C)nn1 575569937 352723199 /nfs/dbraw/zinc/72/31/99/352723199.db2.gz FGHOVUZZVIFEKW-HZGVNTEJSA-N 0 0 179.223 1.044 10 0 ADAERN Cn1cncc1[C@@H]([NH3+])[C@@H]1CC1(C)C 575569948 352723220 /nfs/dbraw/zinc/72/32/20/352723220.db2.gz NPWJCTUUHJBXLQ-CBAPKCEASA-N 0 0 179.267 1.466 10 0 ADAERN Cn1cncc1[C@H]([NH3+])[C@@H]1CC1(C)C 575569952 352723225 /nfs/dbraw/zinc/72/32/25/352723225.db2.gz NPWJCTUUHJBXLQ-IONNQARKSA-N 0 0 179.267 1.466 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cnn(C)c1 575569882 352723252 /nfs/dbraw/zinc/72/32/52/352723252.db2.gz FBOYSPDBIMZCAA-XVKPBYJWSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1[C@H]([NH3+])C(=O)[O-] 575569910 352723265 /nfs/dbraw/zinc/72/32/65/352723265.db2.gz NMBMMGVPAFWENF-XGEHTFHBSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cn(C)nn1 575569938 352723339 /nfs/dbraw/zinc/72/33/39/352723339.db2.gz FGHOVUZZVIFEKW-IMTBSYHQSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cn(C)nn1 575569940 352723342 /nfs/dbraw/zinc/72/33/42/352723342.db2.gz FGHOVUZZVIFEKW-MUWHJKNJSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@H]1C[C@H](C)CC[C@@H]1[C@@H]([NH3+])C(=O)[O-] 575569907 352723355 /nfs/dbraw/zinc/72/33/55/352723355.db2.gz NMBMMGVPAFWENF-RYPBNFRJSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cn(C)nn1 575569942 352723365 /nfs/dbraw/zinc/72/33/65/352723365.db2.gz FGHOVUZZVIFEKW-RCOVLWMOSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@H]1CC[C@H]([C@@H]([NH3+])C(=O)[O-])[C@H](C)C1 575569904 352723368 /nfs/dbraw/zinc/72/33/68/352723368.db2.gz NMBMMGVPAFWENF-LURQLKTLSA-N 0 0 185.267 1.471 10 0 ADAERN Cn1cncc1[C@H]([NH3+])[C@H]1CC1(C)C 575569955 352723407 /nfs/dbraw/zinc/72/34/07/352723407.db2.gz NPWJCTUUHJBXLQ-VXNVDRBHSA-N 0 0 179.267 1.466 10 0 ADAERN Cc1cccc(N[C@H]2CNOC2)c1 575570064 352723865 /nfs/dbraw/zinc/72/38/65/352723865.db2.gz KGWAJTMVYLFYIG-JTQLQIEISA-N 0 0 178.235 1.310 10 0 ADAERN C[C@@H]1C(=O)NN[C@H]1c1cccs1 575570056 352723886 /nfs/dbraw/zinc/72/38/86/352723886.db2.gz OMCRVVVKOOLDOX-CAHLUQPWSA-N 0 0 182.248 1.060 10 0 ADAERN C[C@H]1C(=O)NN[C@H]1c1cccs1 575570060 352723926 /nfs/dbraw/zinc/72/39/26/352723926.db2.gz OMCRVVVKOOLDOX-IYSWYEEDSA-N 0 0 182.248 1.060 10 0 ADAERN C[C@H]1C(=O)NN[C@@H]1c1cccs1 575570061 352724024 /nfs/dbraw/zinc/72/40/24/352724024.db2.gz OMCRVVVKOOLDOX-VDTYLAMSSA-N 0 0 182.248 1.060 10 0 ADAERN CCc1ccc([C@H]2CC(=O)NN2)s1 575570143 352724196 /nfs/dbraw/zinc/72/41/96/352724196.db2.gz RFOJMRWTBYZYLG-SSDOTTSWSA-N 0 0 196.275 1.376 10 0 ADAERN Cc1cccc(N[C@@H]2CNOC2)c1 575570067 352724220 /nfs/dbraw/zinc/72/42/20/352724220.db2.gz KGWAJTMVYLFYIG-SNVBAGLBSA-N 0 0 178.235 1.310 10 0 ADAERN C[C@@H]1C(=O)NN[C@@H]1c1cccs1 575570059 352724293 /nfs/dbraw/zinc/72/42/93/352724293.db2.gz OMCRVVVKOOLDOX-FSPLSTOPSA-N 0 0 182.248 1.060 10 0 ADAERN C[C@](N)(c1ccns1)C(F)(F)F 575570298 352724552 /nfs/dbraw/zinc/72/45/52/352724552.db2.gz JQLBAAZMLHPTMV-YFKPBYRVSA-N 0 0 196.197 1.879 10 0 ADAERN Cc1ccc([C@@H]2NNC(=O)[C@H]2C)s1 575570186 352724581 /nfs/dbraw/zinc/72/45/81/352724581.db2.gz SDEVHKUYINZUND-POYBYMJQSA-N 0 0 196.275 1.368 10 0 ADAERN Cc1ccc([C@H]2NNC(=O)[C@H]2C)s1 575570188 352724632 /nfs/dbraw/zinc/72/46/32/352724632.db2.gz SDEVHKUYINZUND-XPUUQOCRSA-N 0 0 196.275 1.368 10 0 ADAERN C/C=C/[C@@H](N)C(C)(F)F 575570314 352724637 /nfs/dbraw/zinc/72/46/37/352724637.db2.gz XVSWLSNUQSWQHI-QLSVQJPWSA-N 0 0 135.157 1.545 10 0 ADAERN Cc1ccc(N[C@@H]2CNOC2)cc1 575570160 352724729 /nfs/dbraw/zinc/72/47/29/352724729.db2.gz LAWYOZYEAMUBMU-SNVBAGLBSA-N 0 0 178.235 1.310 10 0 ADAERN Cn1cnc([C@](C)(N)C(F)(F)F)c1 575570289 352724733 /nfs/dbraw/zinc/72/47/33/352724733.db2.gz JOXRYICMWJXCDR-LURJTMIESA-N 0 0 193.172 1.156 10 0 ADAERN C=CC(=O)Nc1cc(O)ccc1C 575570330 352724805 /nfs/dbraw/zinc/72/48/05/352724805.db2.gz VLAKFVABHNJLKD-UHFFFAOYSA-N 0 0 177.203 1.825 10 0 ADAERN Cc1ccc([C@H]2NNC(=O)[C@@H]2C)s1 575570187 352724867 /nfs/dbraw/zinc/72/48/67/352724867.db2.gz SDEVHKUYINZUND-SVRRBLITSA-N 0 0 196.275 1.368 10 0 ADAERN Cn1cnc([C@@](C)(N)C(F)(F)F)c1 575570291 352724870 /nfs/dbraw/zinc/72/48/70/352724870.db2.gz JOXRYICMWJXCDR-ZCFIWIBFSA-N 0 0 193.172 1.156 10 0 ADAERN CCc1ccc([C@@H]2CC(=O)NN2)s1 575570169 352724893 /nfs/dbraw/zinc/72/48/93/352724893.db2.gz RFOJMRWTBYZYLG-ZETCQYMHSA-N 0 0 196.275 1.376 10 0 ADAERN Cc1ccc(N[C@H]2CNOC2)cc1 575570159 352724907 /nfs/dbraw/zinc/72/49/07/352724907.db2.gz LAWYOZYEAMUBMU-JTQLQIEISA-N 0 0 178.235 1.310 10 0 ADAERN Cc1ccc([C@@H]2NNC(=O)[C@@H]2C)s1 575570185 352724911 /nfs/dbraw/zinc/72/49/11/352724911.db2.gz SDEVHKUYINZUND-HTRCEHHLSA-N 0 0 196.275 1.368 10 0 ADAERN C[C@@](N)(c1ccns1)C(F)(F)F 575570294 352724972 /nfs/dbraw/zinc/72/49/72/352724972.db2.gz JQLBAAZMLHPTMV-RXMQYKEDSA-N 0 0 196.197 1.879 10 0 ADAERN C/C=C/[C@H](N)C(C)(F)F 575570307 352725101 /nfs/dbraw/zinc/72/51/01/352725101.db2.gz XVSWLSNUQSWQHI-BHYDHMSTSA-N 0 0 135.157 1.545 10 0 ADAERN Cc1nnsc1-c1ncc(C=O)o1 575570396 352725380 /nfs/dbraw/zinc/72/53/80/352725380.db2.gz GBBNAXYTVILIAD-UHFFFAOYSA-N 0 0 195.203 1.314 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@H]1[C@@H]([NH3+])C(=O)[O-] 575570459 352725424 /nfs/dbraw/zinc/72/54/24/352725424.db2.gz SZLUWRZBGCLYON-BWZBUEFSSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@H]1CCO[C@@H]1c1nnc(C=O)s1 575570439 352725428 /nfs/dbraw/zinc/72/54/28/352725428.db2.gz KEWRHAGIHGYQDY-FSPLSTOPSA-N 0 0 198.247 1.448 10 0 ADAERN NC(=S)N1CCC[C@@H](C2CCC2)C1 575570456 352725431 /nfs/dbraw/zinc/72/54/31/352725431.db2.gz KVOYIJCYUQJVOT-SECBINFHSA-N 0 0 198.335 1.742 10 0 ADAERN C[C@H]1CCO[C@H]1c1nnc(C=O)s1 575570437 352725501 /nfs/dbraw/zinc/72/55/01/352725501.db2.gz KEWRHAGIHGYQDY-CAHLUQPWSA-N 0 0 198.247 1.448 10 0 ADAERN C[C@@H]1[C@@H]([C@H]([NH3+])C(=O)[O-])CCC[C@H]1C 575570351 352725759 /nfs/dbraw/zinc/72/57/59/352725759.db2.gz SCLKLKOFNTXNCH-XGEHTFHBSA-N 0 0 185.267 1.471 10 0 ADAERN NNC1CC(c2ccccc2)C1 575570441 352725642 /nfs/dbraw/zinc/72/56/42/352725642.db2.gz SRJYYCVBIVTLKC-UHFFFAOYSA-N 0 0 162.236 1.396 10 0 ADAERN C[C@@H]1CCC[C@H]([C@H]([NH3+])C(=O)[O-])[C@@H]1C 575570331 352725652 /nfs/dbraw/zinc/72/56/52/352725652.db2.gz SCLKLKOFNTXNCH-HXFLIBJXSA-N 0 0 185.267 1.471 10 0 ADAERN Cc1ccc(N)cc1NC#N 575570434 352725670 /nfs/dbraw/zinc/72/56/70/352725670.db2.gz SGGLDVDCOIBSPQ-UHFFFAOYSA-N 0 0 147.181 1.470 10 0 ADAERN C[C@@H]1CCO[C@H]1c1nnc(C=O)s1 575570442 352725682 /nfs/dbraw/zinc/72/56/82/352725682.db2.gz KEWRHAGIHGYQDY-IYSWYEEDSA-N 0 0 198.247 1.448 10 0 ADAERN C[C@@H]1[C@@H]([C@@H]([NH3+])C(=O)[O-])CCC[C@H]1C 575570339 352725691 /nfs/dbraw/zinc/72/56/91/352725691.db2.gz SCLKLKOFNTXNCH-RYPBNFRJSA-N 0 0 185.267 1.471 10 0 ADAERN NC(=S)N1CCC(C2CCC2)CC1 575570344 352725729 /nfs/dbraw/zinc/72/57/29/352725729.db2.gz KAGIQFKVHHJOTH-UHFFFAOYSA-N 0 0 198.335 1.742 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nnc(C=O)s1 575570445 352725741 /nfs/dbraw/zinc/72/57/41/352725741.db2.gz KEWRHAGIHGYQDY-VDTYLAMSSA-N 0 0 198.247 1.448 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]([NH3+])C(=O)[O-])[C@@H]1C 575570336 352725743 /nfs/dbraw/zinc/72/57/43/352725743.db2.gz SCLKLKOFNTXNCH-LURQLKTLSA-N 0 0 185.267 1.471 10 0 ADAERN CC(C)(c1cc(N)on1)C(F)F 575570417 352725768 /nfs/dbraw/zinc/72/57/68/352725768.db2.gz GIPKWLBBRWXQRP-UHFFFAOYSA-N 0 0 176.166 1.800 10 0 ADAERN CC1(C)CCC[C@H]1[C@H]([NH3+])C(=O)[O-] 575570549 352726124 /nfs/dbraw/zinc/72/61/24/352726124.db2.gz UXVKXOMWZGKZBU-BQBZGAKWSA-N 0 0 171.240 1.225 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@H]1[C@H]([NH3+])C(=O)[O-] 575570462 352726140 /nfs/dbraw/zinc/72/61/40/352726140.db2.gz SZLUWRZBGCLYON-CSMHCCOUSA-N 0 0 185.267 1.471 10 0 ADAERN N#CN1CCc2cccc(N)c21 575570470 352726225 /nfs/dbraw/zinc/72/62/25/352726225.db2.gz SLFVJBKRQPFNTJ-UHFFFAOYSA-N 0 0 159.192 1.112 10 0 ADAERN S=C1N=NCN1C1(C2CCC2)CC1 575570548 352726252 /nfs/dbraw/zinc/72/62/52/352726252.db2.gz LIKQEIHLDZJMKC-UHFFFAOYSA-N 0 0 195.291 1.856 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@@H]1[C@@H]([NH3+])C(=O)[O-] 575570465 352726275 /nfs/dbraw/zinc/72/62/75/352726275.db2.gz SZLUWRZBGCLYON-GJMOJQLCSA-N 0 0 185.267 1.471 10 0 ADAERN CC1(C)CCC[C@H]1[C@@H]([NH3+])C(=O)[O-] 575570554 352726289 /nfs/dbraw/zinc/72/62/89/352726289.db2.gz UXVKXOMWZGKZBU-NKWVEPMBSA-N 0 0 171.240 1.225 10 0 ADAERN CC1(C)CCC[C@@H]1[C@H]([NH3+])C(=O)[O-] 575570562 352726296 /nfs/dbraw/zinc/72/62/96/352726296.db2.gz UXVKXOMWZGKZBU-RQJHMYQMSA-N 0 0 171.240 1.225 10 0 ADAERN NC(=S)N1CCC[C@H](C2CCC2)C1 575570461 352726313 /nfs/dbraw/zinc/72/63/13/352726313.db2.gz KVOYIJCYUQJVOT-VIFPVBQESA-N 0 0 198.335 1.742 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@H]1[C@H]([NH3+])C(=O)[O-] 575570467 352726330 /nfs/dbraw/zinc/72/63/30/352726330.db2.gz SZLUWRZBGCLYON-PRJMDXOYSA-N 0 0 185.267 1.471 10 0 ADAERN Cc1nn(C)cc1[C@](C)(N)C(F)F 575570523 352726335 /nfs/dbraw/zinc/72/63/35/352726335.db2.gz KKNOWCDJLUYQOD-QMMMGPOBSA-N 0 0 189.209 1.168 10 0 ADAERN Cc1nn(C)cc1[C@@](C)(N)C(F)F 575570516 352726376 /nfs/dbraw/zinc/72/63/76/352726376.db2.gz KKNOWCDJLUYQOD-MRVPVSSYSA-N 0 0 189.209 1.168 10 0 ADAERN COc1cc(NC#N)ccc1N 575570601 352726715 /nfs/dbraw/zinc/72/67/15/352726715.db2.gz SVMCABKHBPDNQM-UHFFFAOYSA-N 0 0 163.180 1.170 10 0 ADAERN CC1N=NC(=S)N1[C@@H](C)CF 575570649 352726708 /nfs/dbraw/zinc/72/67/08/352726708.db2.gz WQRHYRSUIABQSH-BYPYZUCNSA-N 0 0 175.232 1.406 10 0 ADAERN CC1(C)CC[C@@H]([C@H]([NH3+])C(=O)[O-])C1 575570673 352726799 /nfs/dbraw/zinc/72/67/99/352726799.db2.gz XANFQIMMHPKPCG-RQJHMYQMSA-N 0 0 171.240 1.225 10 0 ADAERN O[C@H](c1ccsn1)c1ccc[nH]1 575570670 352726810 /nfs/dbraw/zinc/72/68/10/352726810.db2.gz MOFPTYWUPOQGAZ-QMMMGPOBSA-N 0 0 180.232 1.553 10 0 ADAERN O[C@@H](c1ccsn1)c1ccc[nH]1 575570656 352726889 /nfs/dbraw/zinc/72/68/89/352726889.db2.gz MOFPTYWUPOQGAZ-MRVPVSSYSA-N 0 0 180.232 1.553 10 0 ADAERN O=Cc1cnc(C2CC(F)(F)C2)o1 575570686 352726923 /nfs/dbraw/zinc/72/69/23/352726923.db2.gz LLWMFTQTJYHSSQ-UHFFFAOYSA-N 0 0 187.145 2.000 10 0 ADAERN CC1(C)CC[C@@H]([C@@H]([NH3+])C(=O)[O-])C1 575570672 352726997 /nfs/dbraw/zinc/72/69/97/352726997.db2.gz XANFQIMMHPKPCG-RNFRBKRXSA-N 0 0 171.240 1.225 10 0 ADAERN CC1(C)CC[C@H]([C@@H]([NH3+])C(=O)[O-])C1 575570671 352727002 /nfs/dbraw/zinc/72/70/02/352727002.db2.gz XANFQIMMHPKPCG-NKWVEPMBSA-N 0 0 171.240 1.225 10 0 ADAERN CC1N=NC(=S)N1[C@H](C)CF 575570664 352727040 /nfs/dbraw/zinc/72/70/40/352727040.db2.gz WQRHYRSUIABQSH-SCSAIBSYSA-N 0 0 175.232 1.406 10 0 ADAERN CC1(C)CC[C@H]([C@H]([NH3+])C(=O)[O-])C1 575570669 352727095 /nfs/dbraw/zinc/72/70/95/352727095.db2.gz XANFQIMMHPKPCG-BQBZGAKWSA-N 0 0 171.240 1.225 10 0 ADAERN C/C=C/[C@H](NN)[C@H]1CCCS1 575570795 352727420 /nfs/dbraw/zinc/72/74/20/352727420.db2.gz OJYYVZCMRJWTIA-IOEWOSKSSA-N 0 0 172.297 1.290 10 0 ADAERN Cc1ccncc1[C@](C)(N)C(F)F 575570742 352727422 /nfs/dbraw/zinc/72/74/22/352727422.db2.gz LBTGWINDNHKLMZ-VIFPVBQESA-N 0 0 186.205 1.829 10 0 ADAERN C/C=C/[C@@H](NN)[C@@H]1CCCS1 575570808 352727453 /nfs/dbraw/zinc/72/74/53/352727453.db2.gz OJYYVZCMRJWTIA-KHMYBQILSA-N 0 0 172.297 1.290 10 0 ADAERN C[C@H]1CC[C@H](c2nnc(C=O)s2)O1 575570725 352727483 /nfs/dbraw/zinc/72/74/83/352727483.db2.gz LBEBDIASXMULQV-NTSWFWBYSA-N 0 0 198.247 1.591 10 0 ADAERN Cc1ccncc1[C@@](C)(N)C(F)F 575570740 352727511 /nfs/dbraw/zinc/72/75/11/352727511.db2.gz LBTGWINDNHKLMZ-SECBINFHSA-N 0 0 186.205 1.829 10 0 ADAERN Cc1c(F)ncnc1N[C@@H](C)CF 575570803 352727549 /nfs/dbraw/zinc/72/75/49/352727549.db2.gz LYVIWORJICMEFJ-YFKPBYRVSA-N 0 0 187.193 1.694 10 0 ADAERN C[C@@H]1CC[C@@H](c2nnc(C=O)s2)O1 575570733 352727611 /nfs/dbraw/zinc/72/76/11/352727611.db2.gz LBEBDIASXMULQV-RITPCOANSA-N 0 0 198.247 1.591 10 0 ADAERN C[C@H](CF)Nc1nsnc1Cl 575570762 352727673 /nfs/dbraw/zinc/72/76/73/352727673.db2.gz LWLLKACRUIXKJF-GSVOUGTGSA-N 0 0 195.650 1.961 10 0 ADAERN C[C@@H]1CC[C@H](c2nnc(C=O)s2)O1 575570729 352727687 /nfs/dbraw/zinc/72/76/87/352727687.db2.gz LBEBDIASXMULQV-PHDIDXHHSA-N 0 0 198.247 1.591 10 0 ADAERN C[C@@H](CF)Nc1nsnc1Cl 575570768 352727696 /nfs/dbraw/zinc/72/76/96/352727696.db2.gz LWLLKACRUIXKJF-VKHMYHEASA-N 0 0 195.650 1.961 10 0 ADAERN C/C=C/[C@H](NN)[C@@H]1CCCS1 575570815 352727713 /nfs/dbraw/zinc/72/77/13/352727713.db2.gz OJYYVZCMRJWTIA-POSAZWSLSA-N 0 0 172.297 1.290 10 0 ADAERN Cc1c(F)ncnc1N[C@H](C)CF 575570797 352727720 /nfs/dbraw/zinc/72/77/20/352727720.db2.gz LYVIWORJICMEFJ-RXMQYKEDSA-N 0 0 187.193 1.694 10 0 ADAERN C[C@H]1CC[C@@H](c2nnc(C=O)s2)O1 575570737 352727735 /nfs/dbraw/zinc/72/77/35/352727735.db2.gz LBEBDIASXMULQV-WDSKDSINSA-N 0 0 198.247 1.591 10 0 ADAERN S=c1[nH]ccn1C[C@H]1CC12CC2 575570960 352728111 /nfs/dbraw/zinc/72/81/11/352728111.db2.gz ZLPJYTMJWYPKMO-SSDOTTSWSA-N 0 0 180.276 1.972 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1[C@@H]([NH3+])C(=O)[O-] 575570936 352728112 /nfs/dbraw/zinc/72/81/12/352728112.db2.gz YUNDSDQYOVNMCP-RYPBNFRJSA-N 0 0 185.267 1.471 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@@H]1CCCC12CCC2 575570888 352728117 /nfs/dbraw/zinc/72/81/17/352728117.db2.gz XLZFIYXQIGDRDE-JGVFFNPUSA-N 0 0 183.251 1.369 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@@H]1[C@H]([NH3+])C(=O)[O-] 575570956 352728124 /nfs/dbraw/zinc/72/81/24/352728124.db2.gz YUNDSDQYOVNMCP-XGEHTFHBSA-N 0 0 185.267 1.471 10 0 ADAERN O=C1CSC(N2CC[C@@H](F)C2)=N1 575570916 352728169 /nfs/dbraw/zinc/72/81/69/352728169.db2.gz XWGCGWKXRMVDJX-RXMQYKEDSA-N 0 0 188.227 1.397 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1[C@@H]([NH3+])C(=O)[O-] 575570935 352728192 /nfs/dbraw/zinc/72/81/92/352728192.db2.gz YUNDSDQYOVNMCP-BZNPZCIMSA-N 0 0 185.267 1.471 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1[C@H]([NH3+])C(=O)[O-] 575570954 352728228 /nfs/dbraw/zinc/72/82/28/352728228.db2.gz YUNDSDQYOVNMCP-XAVMHZPKSA-N 0 0 185.267 1.471 10 0 ADAERN C/C=C/[C@@H](NN)[C@H]1CCCS1 575570825 352728230 /nfs/dbraw/zinc/72/82/30/352728230.db2.gz OJYYVZCMRJWTIA-WGAMGKKUSA-N 0 0 172.297 1.290 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@H]1CCCC12CCC2 575570889 352728273 /nfs/dbraw/zinc/72/82/73/352728273.db2.gz XLZFIYXQIGDRDE-SFYZADRCSA-N 0 0 183.251 1.369 10 0 ADAERN O=C1CSC(N2CC[C@H](F)C2)=N1 575570920 352728322 /nfs/dbraw/zinc/72/83/22/352728322.db2.gz XWGCGWKXRMVDJX-YFKPBYRVSA-N 0 0 188.227 1.397 10 0 ADAERN S=c1[nH]ccn1C[C@@H]1CC12CC2 575570962 352728335 /nfs/dbraw/zinc/72/83/35/352728335.db2.gz ZLPJYTMJWYPKMO-ZETCQYMHSA-N 0 0 180.276 1.972 10 0 ADAERN [NH3+][C@H](C(=O)[O-])[C@@H]1CCCC12CCC2 575570891 352728339 /nfs/dbraw/zinc/72/83/39/352728339.db2.gz XLZFIYXQIGDRDE-YUMQZZPRSA-N 0 0 183.251 1.369 10 0 ADAERN [NH3+][C@@H](C(=O)[O-])[C@H]1CCCC12CCC2 575570887 352728424 /nfs/dbraw/zinc/72/84/24/352728424.db2.gz XLZFIYXQIGDRDE-HTQZYQBOSA-N 0 0 183.251 1.369 10 0 ADAERN N[C@@H](C1=CCCCO1)c1ccns1 575571016 352728979 /nfs/dbraw/zinc/72/89/79/352728979.db2.gz ZXHWANURXWLSFF-VIFPVBQESA-N 0 0 196.275 1.837 10 0 ADAERN N[C@H](C1=CCCCO1)c1ccns1 575571015 352729031 /nfs/dbraw/zinc/72/90/31/352729031.db2.gz ZXHWANURXWLSFF-SECBINFHSA-N 0 0 196.275 1.837 10 0 ADAERN S=C1N=NCN1C[C@@]12CCC[C@@H]1C2 575571001 352729080 /nfs/dbraw/zinc/72/90/80/352729080.db2.gz QGGVKUXIWRSABE-APPZFPTMSA-N 0 0 195.291 1.757 10 0 ADAERN S=C1N=NCN1C[C@]12CCC[C@H]1C2 575571011 352729118 /nfs/dbraw/zinc/72/91/18/352729118.db2.gz QGGVKUXIWRSABE-IONNQARKSA-N 0 0 195.291 1.757 10 0 ADAERN C[C@H](F)CCN1CCC(=O)C1 575571301 352729374 /nfs/dbraw/zinc/72/93/74/352729374.db2.gz IRNCGRYVFVTCPV-ZETCQYMHSA-N 0 0 159.204 1.009 10 0 ADAERN Cc1cncc([C@@](C)(N)C(F)F)c1 575571234 352729389 /nfs/dbraw/zinc/72/93/89/352729389.db2.gz MFKXJFLBXAFKRZ-SECBINFHSA-N 0 0 186.205 1.829 10 0 ADAERN C[C@](N)(c1cncs1)C(F)F 575571268 352729398 /nfs/dbraw/zinc/72/93/98/352729398.db2.gz MTVMDQLFPHVJTP-LURJTMIESA-N 0 0 178.207 1.582 10 0 ADAERN O=Cc1cnc(-c2ccon2)o1 575571185 352729480 /nfs/dbraw/zinc/72/94/80/352729480.db2.gz IENZUKPSOOIPAR-UHFFFAOYSA-N 0 0 164.120 1.142 10 0 ADAERN Cc1cncc([C@](C)(N)C(F)F)c1 575571235 352729489 /nfs/dbraw/zinc/72/94/89/352729489.db2.gz MFKXJFLBXAFKRZ-VIFPVBQESA-N 0 0 186.205 1.829 10 0 ADAERN Cc1cc([C@H]2CC(=O)CO2)ccn1 575571276 352729501 /nfs/dbraw/zinc/72/95/01/352729501.db2.gz IPEOLXASORNHCN-SNVBAGLBSA-N 0 0 177.203 1.421 10 0 ADAERN C[C@@H](F)CCN1CCC(=O)C1 575571299 352729562 /nfs/dbraw/zinc/72/95/62/352729562.db2.gz IRNCGRYVFVTCPV-SSDOTTSWSA-N 0 0 159.204 1.009 10 0 ADAERN CC(C)(C)C(=O)[C@H]1CNCC1(F)F 575571257 352729630 /nfs/dbraw/zinc/72/96/30/352729630.db2.gz UMKRGRNHFOSILO-ZCFIWIBFSA-N 0 0 191.221 1.456 10 0 ADAERN Cc1cc(-c2ncc(C=O)o2)on1 575571151 352729639 /nfs/dbraw/zinc/72/96/39/352729639.db2.gz HZRXOMFBQHIDCP-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN O=Cc1nnc([C@@H]2[C@H]3CCC[C@H]32)s1 575571156 352729663 /nfs/dbraw/zinc/72/96/63/352729663.db2.gz LSMVOGWAEYPIOP-BDINMYNLSA-N 0 0 194.259 1.864 10 0 ADAERN Cc1cc([C@@H]2CC(=O)CO2)ccn1 575571273 352729728 /nfs/dbraw/zinc/72/97/28/352729728.db2.gz IPEOLXASORNHCN-JTQLQIEISA-N 0 0 177.203 1.421 10 0 ADAERN C[C@@](N)(c1cncs1)C(F)F 575571271 352729836 /nfs/dbraw/zinc/72/98/36/352729836.db2.gz MTVMDQLFPHVJTP-ZCFIWIBFSA-N 0 0 178.207 1.582 10 0 ADAERN CC(C)(C)C(=O)[C@@H]1CNCC1(F)F 575571247 352729871 /nfs/dbraw/zinc/72/98/71/352729871.db2.gz UMKRGRNHFOSILO-LURJTMIESA-N 0 0 191.221 1.456 10 0 ADAERN Cn1cc([C@@](C)(N)C(F)(F)F)cn1 575571339 352730160 /nfs/dbraw/zinc/73/01/60/352730160.db2.gz NJSGNBUDDIPYKR-ZCFIWIBFSA-N 0 0 193.172 1.156 10 0 ADAERN Cn1cc([C@](C)(N)C(F)(F)F)cn1 575571335 352730212 /nfs/dbraw/zinc/73/02/12/352730212.db2.gz NJSGNBUDDIPYKR-LURJTMIESA-N 0 0 193.172 1.156 10 0 ADAERN C[C@H]1OCC[C@H]1c1ncc(C=O)o1 575571568 352730907 /nfs/dbraw/zinc/73/09/07/352730907.db2.gz QCCXDADFPAVEIO-HTRCEHHLSA-N 0 0 181.191 1.380 10 0 ADAERN OCC1CC(Nc2nccs2)C1 575571524 352730922 /nfs/dbraw/zinc/73/09/22/352730922.db2.gz PRJJPKPQBZUZCQ-UHFFFAOYSA-N 0 0 184.264 1.326 10 0 ADAERN C[C@@H](CF)Nc1cncc(F)n1 575571532 352730924 /nfs/dbraw/zinc/73/09/24/352730924.db2.gz PRQWEZKOGKLWBG-YFKPBYRVSA-N 0 0 173.166 1.386 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1ncc(C=O)o1 575571577 352731014 /nfs/dbraw/zinc/73/10/14/352731014.db2.gz QCCXDADFPAVEIO-XPUUQOCRSA-N 0 0 181.191 1.380 10 0 ADAERN C[C@@H]1OCC[C@H]1c1ncc(C=O)o1 575571573 352731069 /nfs/dbraw/zinc/73/10/69/352731069.db2.gz QCCXDADFPAVEIO-POYBYMJQSA-N 0 0 181.191 1.380 10 0 ADAERN C[C@H]1OCC[C@@H]1c1ncc(C=O)o1 575571574 352731139 /nfs/dbraw/zinc/73/11/39/352731139.db2.gz QCCXDADFPAVEIO-SVRRBLITSA-N 0 0 181.191 1.380 10 0 ADAERN C[C@H](CF)Nc1cncc(F)n1 575571530 352731217 /nfs/dbraw/zinc/73/12/17/352731217.db2.gz PRQWEZKOGKLWBG-RXMQYKEDSA-N 0 0 173.166 1.386 10 0 ADAERN FC(F)C1(N2CN=NC2=S)CC1 575571543 352731285 /nfs/dbraw/zinc/73/12/85/352731285.db2.gz XOEZOSKRUDYFEH-UHFFFAOYSA-N 0 0 191.206 1.321 10 0 ADAERN C[C@@](N)(C1CCOCC1)C(F)(F)F 575571674 352731635 /nfs/dbraw/zinc/73/16/35/352731635.db2.gz OABSTZGYUXQFTR-SSDOTTSWSA-N 0 0 197.200 1.693 10 0 ADAERN C[C@](N)(c1cnsc1)C(F)F 575571695 352731684 /nfs/dbraw/zinc/73/16/84/352731684.db2.gz OBMIXKKDJHPNTF-LURJTMIESA-N 0 0 178.207 1.582 10 0 ADAERN O=Cc1nnc(-c2cccnc2)s1 575571643 352731692 /nfs/dbraw/zinc/73/16/92/352731692.db2.gz NNVWWSSUKPJCTL-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN C[C@](N)(C1CCOCC1)C(F)(F)F 575571684 352731716 /nfs/dbraw/zinc/73/17/16/352731716.db2.gz OABSTZGYUXQFTR-ZETCQYMHSA-N 0 0 197.200 1.693 10 0 ADAERN Cn1nccc1[C@@](C)(N)C(F)(F)F 575571692 352731752 /nfs/dbraw/zinc/73/17/52/352731752.db2.gz OANXLOLSNIFSNM-ZCFIWIBFSA-N 0 0 193.172 1.156 10 0 ADAERN NC(=O)N1CCC[C@H](C2CCC2)C1 575571591 352731857 /nfs/dbraw/zinc/73/18/57/352731857.db2.gz ZCEWNRFSWCABPE-VIFPVBQESA-N 0 0 182.267 1.577 10 0 ADAERN C[C@](N)(c1cncs1)C(F)(F)F 575571663 352731923 /nfs/dbraw/zinc/73/19/23/352731923.db2.gz NYMTXONXEDEJGJ-YFKPBYRVSA-N 0 0 196.197 1.879 10 0 ADAERN C[C@@](N)(c1cncs1)C(F)(F)F 575571661 352731931 /nfs/dbraw/zinc/73/19/31/352731931.db2.gz NYMTXONXEDEJGJ-RXMQYKEDSA-N 0 0 196.197 1.879 10 0 ADAERN NC(=O)N1CCC[C@@H](C2CCC2)C1 575571590 352731932 /nfs/dbraw/zinc/73/19/32/352731932.db2.gz ZCEWNRFSWCABPE-SECBINFHSA-N 0 0 182.267 1.577 10 0 ADAERN Clc1ncccc1N[C@@H]1CNOC1 575571677 352731935 /nfs/dbraw/zinc/73/19/35/352731935.db2.gz KJTPCYOPTZSSGM-ZCFIWIBFSA-N 0 0 199.641 1.050 10 0 ADAERN Cn1nccc1[C@](C)(N)C(F)(F)F 575571690 352731954 /nfs/dbraw/zinc/73/19/54/352731954.db2.gz OANXLOLSNIFSNM-LURJTMIESA-N 0 0 193.172 1.156 10 0 ADAERN C[C@@](N)(c1cnsc1)C(F)F 575571697 352731960 /nfs/dbraw/zinc/73/19/60/352731960.db2.gz OBMIXKKDJHPNTF-ZCFIWIBFSA-N 0 0 178.207 1.582 10 0 ADAERN O=Cc1nnc(-c2ccco2)s1 575571705 352731973 /nfs/dbraw/zinc/73/19/73/352731973.db2.gz ODNNSRNKWHIKIK-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN Clc1ncccc1N[C@H]1CNOC1 575571676 352731984 /nfs/dbraw/zinc/73/19/84/352731984.db2.gz KJTPCYOPTZSSGM-LURJTMIESA-N 0 0 199.641 1.050 10 0 ADAERN C[C@H](CF)Nc1cncc(N)c1 575571800 352732410 /nfs/dbraw/zinc/73/24/10/352732410.db2.gz LFLFNOITRFHHBQ-ZCFIWIBFSA-N 0 0 169.203 1.434 10 0 ADAERN C[C@]1(c2nnc(C=O)s2)C[C@@H]1F 575571842 352733229 /nfs/dbraw/zinc/73/32/29/352733229.db2.gz PAZXECNKRHSBSU-FFWSUHOLSA-N 0 0 186.211 1.350 10 0 ADAERN C[C@H]1C[C@]([NH3+])(c2cncs2)CCO1 575571751 352732458 /nfs/dbraw/zinc/73/24/58/352732458.db2.gz KZVFXEAABLXSBO-CBAPKCEASA-N 0 0 198.291 1.496 10 0 ADAERN C[C@](N)(c1ccncc1F)C(F)F 575571795 352732568 /nfs/dbraw/zinc/73/25/68/352732568.db2.gz OOQRBARBFAKMJF-QMMMGPOBSA-N 0 0 190.168 1.660 10 0 ADAERN C[C@@H]1C[C@]([NH3+])(c2cncs2)CCO1 575571750 352732597 /nfs/dbraw/zinc/73/25/97/352732597.db2.gz KZVFXEAABLXSBO-APPZFPTMSA-N 0 0 198.291 1.496 10 0 ADAERN C[C@@H](CF)Nc1cncc(N)c1 575571780 352732658 /nfs/dbraw/zinc/73/26/58/352732658.db2.gz LFLFNOITRFHHBQ-LURJTMIESA-N 0 0 169.203 1.434 10 0 ADAERN C[C@@](N)(c1ccncc1F)C(F)F 575571793 352732709 /nfs/dbraw/zinc/73/27/09/352732709.db2.gz OOQRBARBFAKMJF-MRVPVSSYSA-N 0 0 190.168 1.660 10 0 ADAERN C[C@H]1CN[C@@H](c2ccc(F)cn2)S1 575571920 352733162 /nfs/dbraw/zinc/73/31/62/352733162.db2.gz QPRWXYNMOKGMIB-IMTBSYHQSA-N 0 0 198.266 1.944 10 0 ADAERN C[C@@]1(c2nnc(C=O)s2)C[C@@H]1F 575571844 352733191 /nfs/dbraw/zinc/73/31/91/352733191.db2.gz PAZXECNKRHSBSU-MHTLYPKNSA-N 0 0 186.211 1.350 10 0 ADAERN C[C@H](NC#N)c1ccc(N)cc1 575571884 352733250 /nfs/dbraw/zinc/73/32/50/352733250.db2.gz YGTJUSMPVZHWMC-ZETCQYMHSA-N 0 0 161.208 1.400 10 0 ADAERN C[C@]1(c2nnc(C=O)s2)C[C@H]1F 575571841 352733269 /nfs/dbraw/zinc/73/32/69/352733269.db2.gz PAZXECNKRHSBSU-FBCQKBJTSA-N 0 0 186.211 1.350 10 0 ADAERN C[C@@H](NC#N)c1ccc(N)cc1 575571882 352733272 /nfs/dbraw/zinc/73/32/72/352733272.db2.gz YGTJUSMPVZHWMC-SSDOTTSWSA-N 0 0 161.208 1.400 10 0 ADAERN C[C@H]1CN[C@H](c2ccc(F)cn2)S1 575571924 352733285 /nfs/dbraw/zinc/73/32/85/352733285.db2.gz QPRWXYNMOKGMIB-RCOVLWMOSA-N 0 0 198.266 1.944 10 0 ADAERN C[C@@H]1CC[C@H](c2ncc(C=O)o2)O1 575571931 352733304 /nfs/dbraw/zinc/73/33/04/352733304.db2.gz QVPRUDKAOXEKMN-HTRCEHHLSA-N 0 0 181.191 1.727 10 0 ADAERN C[C@@H]1CN[C@@H](c2ccc(F)cn2)S1 575571918 352733341 /nfs/dbraw/zinc/73/33/41/352733341.db2.gz QPRWXYNMOKGMIB-HZGVNTEJSA-N 0 0 198.266 1.944 10 0 ADAERN C[C@@]1(c2nnc(C=O)s2)C[C@H]1F 575571840 352733377 /nfs/dbraw/zinc/73/33/77/352733377.db2.gz PAZXECNKRHSBSU-CLZZGJSISA-N 0 0 186.211 1.350 10 0 ADAERN C[C@@H]1CN[C@H](c2ccc(F)cn2)S1 575571922 352733411 /nfs/dbraw/zinc/73/34/11/352733411.db2.gz QPRWXYNMOKGMIB-MUWHJKNJSA-N 0 0 198.266 1.944 10 0 ADAERN Cc1cc([C@@H]2NCCS2)ccn1 575571957 352733829 /nfs/dbraw/zinc/73/38/29/352733829.db2.gz ROVVUNIBPZIAOG-SECBINFHSA-N 0 0 180.276 1.725 10 0 ADAERN C[C@H]1CC[C@H](c2ncc(C=O)o2)O1 575571934 352733839 /nfs/dbraw/zinc/73/38/39/352733839.db2.gz QVPRUDKAOXEKMN-POYBYMJQSA-N 0 0 181.191 1.727 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1cnnn1C 575571941 352733891 /nfs/dbraw/zinc/73/38/91/352733891.db2.gz RAOMACMAQPRXQB-CBAPKCEASA-N 0 0 180.255 1.273 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cccnc1N 575571984 352733897 /nfs/dbraw/zinc/73/38/97/352733897.db2.gz SADYBVBMOQDLNN-GMSGAONNSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1C[C@]1(C)NCC(F)(F)F 575572038 352733969 /nfs/dbraw/zinc/73/39/69/352733969.db2.gz LUDGPVBIDQVTAY-RITPCOANSA-N 0 0 167.174 1.937 10 0 ADAERN C[C@H]1C[C@]1(C)CNc1cnnn1C 575571942 352733985 /nfs/dbraw/zinc/73/39/85/352733985.db2.gz RAOMACMAQPRXQB-IONNQARKSA-N 0 0 180.255 1.273 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1cnnn1C 575571940 352734050 /nfs/dbraw/zinc/73/40/50/352734050.db2.gz RAOMACMAQPRXQB-APPZFPTMSA-N 0 0 180.255 1.273 10 0 ADAERN C[C@H]1C[C@@]1(C)NCC(F)(F)F 575572036 352734068 /nfs/dbraw/zinc/73/40/68/352734068.db2.gz LUDGPVBIDQVTAY-NTSWFWBYSA-N 0 0 167.174 1.937 10 0 ADAERN C[C@H]1CC[C@@H](c2ncc(C=O)o2)O1 575571936 352734087 /nfs/dbraw/zinc/73/40/87/352734087.db2.gz QVPRUDKAOXEKMN-XPUUQOCRSA-N 0 0 181.191 1.727 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cccnc1N 575571985 352734091 /nfs/dbraw/zinc/73/40/91/352734091.db2.gz SADYBVBMOQDLNN-OIBJUYFYSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cccnc1N 575571987 352734112 /nfs/dbraw/zinc/73/41/12/352734112.db2.gz SADYBVBMOQDLNN-XVKPBYJWSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1C[C@@]1(C)NCC(F)(F)F 575572037 352734118 /nfs/dbraw/zinc/73/41/18/352734118.db2.gz LUDGPVBIDQVTAY-PHDIDXHHSA-N 0 0 167.174 1.937 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cccnc1N 575571986 352734120 /nfs/dbraw/zinc/73/41/20/352734120.db2.gz SADYBVBMOQDLNN-XCBNKYQSSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1cc([C@H]2NCCS2)ccn1 575571958 352734142 /nfs/dbraw/zinc/73/41/42/352734142.db2.gz ROVVUNIBPZIAOG-VIFPVBQESA-N 0 0 180.276 1.725 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1cnnn1C 575571943 352734175 /nfs/dbraw/zinc/73/41/75/352734175.db2.gz RAOMACMAQPRXQB-VXNVDRBHSA-N 0 0 180.255 1.273 10 0 ADAERN C[C@@H]1CC[C@@H](c2ncc(C=O)o2)O1 575571935 352734177 /nfs/dbraw/zinc/73/41/77/352734177.db2.gz QVPRUDKAOXEKMN-SVRRBLITSA-N 0 0 181.191 1.727 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1ncnn1C 575572119 352734445 /nfs/dbraw/zinc/73/44/45/352734445.db2.gz MLDYWIUBDGZPOZ-IMTBSYHQSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1ncnn1C 575572117 352734515 /nfs/dbraw/zinc/73/45/15/352734515.db2.gz MLDYWIUBDGZPOZ-HZGVNTEJSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@H]1C[C@@H]1c1ncc(C=O)o1 575572102 352734597 /nfs/dbraw/zinc/73/45/97/352734597.db2.gz MIZBVNCLAFDABH-VDTYLAMSSA-N 0 0 151.165 1.611 10 0 ADAERN C[C@H]1C[C@H]1c1ncc(C=O)o1 575572092 352734712 /nfs/dbraw/zinc/73/47/12/352734712.db2.gz MIZBVNCLAFDABH-CAHLUQPWSA-N 0 0 151.165 1.611 10 0 ADAERN Cc1nc([C@@](C)(N)C(F)F)cs1 575572072 352734777 /nfs/dbraw/zinc/73/47/77/352734777.db2.gz PVANFBCEWZCWGO-SSDOTTSWSA-N 0 0 192.234 1.891 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1ncnn1C 575572123 352734830 /nfs/dbraw/zinc/73/48/30/352734830.db2.gz MLDYWIUBDGZPOZ-RCOVLWMOSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@H]1C[C@H]1c1ncc(C=O)o1 575572101 352734833 /nfs/dbraw/zinc/73/48/33/352734833.db2.gz MIZBVNCLAFDABH-IYSWYEEDSA-N 0 0 151.165 1.611 10 0 ADAERN Cc1nc([C@](C)(N)C(F)F)cs1 575572073 352734842 /nfs/dbraw/zinc/73/48/42/352734842.db2.gz PVANFBCEWZCWGO-ZETCQYMHSA-N 0 0 192.234 1.891 10 0 ADAERN C[C@H]1C[C@@H]1c1ncc(C=O)o1 575572097 352734939 /nfs/dbraw/zinc/73/49/39/352734939.db2.gz MIZBVNCLAFDABH-FSPLSTOPSA-N 0 0 151.165 1.611 10 0 ADAERN C[C@@](N)(c1cnsc1)C(F)(F)F 575572248 352735200 /nfs/dbraw/zinc/73/52/00/352735200.db2.gz QUTYCJVVBYMMCZ-RXMQYKEDSA-N 0 0 196.197 1.879 10 0 ADAERN Cc1c(N)ncnc1N[C@H](C)CF 575572236 352735247 /nfs/dbraw/zinc/73/52/47/352735247.db2.gz NJJMTNIFCWOXQS-RXMQYKEDSA-N 0 0 184.218 1.137 10 0 ADAERN C[C@](N)(c1cnsc1)C(F)(F)F 575572249 352735300 /nfs/dbraw/zinc/73/53/00/352735300.db2.gz QUTYCJVVBYMMCZ-YFKPBYRVSA-N 0 0 196.197 1.879 10 0 ADAERN Cc1c(N)ncnc1N[C@@H](C)CF 575572259 352735303 /nfs/dbraw/zinc/73/53/03/352735303.db2.gz NJJMTNIFCWOXQS-YFKPBYRVSA-N 0 0 184.218 1.137 10 0 ADAERN C[C@](N)(c1cncnc1)C(F)(F)F 575572198 352735327 /nfs/dbraw/zinc/73/53/27/352735327.db2.gz QKTLGKGAZWSHKE-LURJTMIESA-N 0 0 191.156 1.213 10 0 ADAERN C[C@@](N)(c1cncnc1)C(F)(F)F 575572200 352735428 /nfs/dbraw/zinc/73/54/28/352735428.db2.gz QKTLGKGAZWSHKE-ZCFIWIBFSA-N 0 0 191.156 1.213 10 0 ADAERN C[C@H]1CCO[C@H]1c1ncc(C=O)o1 575572404 352735877 /nfs/dbraw/zinc/73/58/77/352735877.db2.gz UVXOWKFNIOEAMY-POYBYMJQSA-N 0 0 181.191 1.585 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ncccc1N 575572439 352735917 /nfs/dbraw/zinc/73/59/17/352735917.db2.gz VLZQAZWTGRQCDI-GMSGAONNSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1ncc(C=O)o1 575572405 352736010 /nfs/dbraw/zinc/73/60/10/352736010.db2.gz UVXOWKFNIOEAMY-SVRRBLITSA-N 0 0 181.191 1.585 10 0 ADAERN C[C@@H](CF)Nc1cccc(F)n1 575572381 352736026 /nfs/dbraw/zinc/73/60/26/352736026.db2.gz UKILUAYTTGVXNG-LURJTMIESA-N 0 0 172.178 1.991 10 0 ADAERN C[C@@H]1CCO[C@H]1c1ncc(C=O)o1 575572403 352736056 /nfs/dbraw/zinc/73/60/56/352736056.db2.gz UVXOWKFNIOEAMY-HTRCEHHLSA-N 0 0 181.191 1.585 10 0 ADAERN C[C@H](CF)Nc1cccc(F)n1 575572382 352736088 /nfs/dbraw/zinc/73/60/88/352736088.db2.gz UKILUAYTTGVXNG-ZCFIWIBFSA-N 0 0 172.178 1.991 10 0 ADAERN O=Cc1nnc([C@H]2C[C@@H]3C[C@@H]3C2)s1 575572312 352736091 /nfs/dbraw/zinc/73/60/91/352736091.db2.gz RIKIJDILUXECLN-KVSKUHBBSA-N 0 0 194.259 1.864 10 0 ADAERN C[C@H]1CCO[C@@H]1c1ncc(C=O)o1 575572406 352736118 /nfs/dbraw/zinc/73/61/18/352736118.db2.gz UVXOWKFNIOEAMY-XPUUQOCRSA-N 0 0 181.191 1.585 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ncccc1N 575572440 352736205 /nfs/dbraw/zinc/73/62/05/352736205.db2.gz VLZQAZWTGRQCDI-OIBJUYFYSA-N 0 0 177.251 1.874 10 0 ADAERN O=Cc1nnc([C@@H]2C[C@@H]3C[C@@H]3C2)s1 575572315 352736216 /nfs/dbraw/zinc/73/62/16/352736216.db2.gz RIKIJDILUXECLN-ZMONIFLSSA-N 0 0 194.259 1.864 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1nccn1C 575572481 352736491 /nfs/dbraw/zinc/73/64/91/352736491.db2.gz ONCJHELNJNMCCA-OIBJUYFYSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1nccn1C 575572483 352736554 /nfs/dbraw/zinc/73/65/54/352736554.db2.gz ONCJHELNJNMCCA-XVKPBYJWSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ncccc1N 575572442 352736614 /nfs/dbraw/zinc/73/66/14/352736614.db2.gz VLZQAZWTGRQCDI-XVKPBYJWSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1nccn1C 575572480 352736633 /nfs/dbraw/zinc/73/66/33/352736633.db2.gz ONCJHELNJNMCCA-GMSGAONNSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H](CF)Nc1cnnc(Cl)c1 575572446 352736650 /nfs/dbraw/zinc/73/66/50/352736650.db2.gz VOBYRQVQAMYBDN-RXMQYKEDSA-N 0 0 189.621 1.900 10 0 ADAERN C[C@H](N)c1nnc([C@]2(C)C[C@@H]2C)o1 575572484 352736740 /nfs/dbraw/zinc/73/67/40/352736740.db2.gz ONFYDAZBJALVTJ-ATVXKPNKSA-N 0 0 181.239 1.387 10 0 ADAERN C[C@H](N)c1nnc([C@@]2(C)C[C@H]2C)o1 575572485 352736814 /nfs/dbraw/zinc/73/68/14/352736814.db2.gz ONFYDAZBJALVTJ-JHEQGTHGSA-N 0 0 181.239 1.387 10 0 ADAERN C[C@@H](CF)Nc1cnnc(Cl)c1 575572448 352736826 /nfs/dbraw/zinc/73/68/26/352736826.db2.gz VOBYRQVQAMYBDN-YFKPBYRVSA-N 0 0 189.621 1.900 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ncccc1N 575572441 352736872 /nfs/dbraw/zinc/73/68/72/352736872.db2.gz VLZQAZWTGRQCDI-XCBNKYQSSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@H](N)c1nnc([C@@]2(C)C[C@@H]2C)o1 575572487 352736898 /nfs/dbraw/zinc/73/68/98/352736898.db2.gz ONFYDAZBJALVTJ-WATHFIQWSA-N 0 0 181.239 1.387 10 0 ADAERN C[C@H](N)c1nnc([C@]2(C)C[C@H]2C)o1 575572486 352736922 /nfs/dbraw/zinc/73/69/22/352736922.db2.gz ONFYDAZBJALVTJ-QIOHGKGESA-N 0 0 181.239 1.387 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1nccn1C 575572482 352736932 /nfs/dbraw/zinc/73/69/32/352736932.db2.gz ONCJHELNJNMCCA-XCBNKYQSSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1ncccn1 575572659 352737119 /nfs/dbraw/zinc/73/71/19/352737119.db2.gz WHRPTORBZXGDPB-SCZZXKLOSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1cc(-c2nnc(C=O)s2)co1 575572675 352737123 /nfs/dbraw/zinc/73/71/23/352737123.db2.gz SLCLVGULWBRNTI-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ncc(N)cn1 575572634 352737148 /nfs/dbraw/zinc/73/71/48/352737148.db2.gz WAPDLQKAWVHNEZ-RCOVLWMOSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ncc(N)cn1 575572632 352737159 /nfs/dbraw/zinc/73/71/59/352737159.db2.gz WAPDLQKAWVHNEZ-IMTBSYHQSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ncc(N)cn1 575572633 352737205 /nfs/dbraw/zinc/73/72/05/352737205.db2.gz WAPDLQKAWVHNEZ-MUWHJKNJSA-N 0 0 178.239 1.269 10 0 ADAERN Fc1ccc([C@H]2NCCCS2)nc1 575572666 352737536 /nfs/dbraw/zinc/73/75/36/352737536.db2.gz WJFCXQSASKMVFE-VIFPVBQESA-N 0 0 198.266 1.946 10 0 ADAERN C[C@@H]1OCC[C@H]1c1nnc(C=O)s1 575572700 352737407 /nfs/dbraw/zinc/73/74/07/352737407.db2.gz SOPLEVVHLFYLLX-NTSWFWBYSA-N 0 0 198.247 1.243 10 0 ADAERN Fc1ccc([C@@H]2NCCCS2)nc1 575572665 352737438 /nfs/dbraw/zinc/73/74/38/352737438.db2.gz WJFCXQSASKMVFE-SECBINFHSA-N 0 0 198.266 1.946 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1ncccn1 575572663 352737569 /nfs/dbraw/zinc/73/75/69/352737569.db2.gz WHRPTORBZXGDPB-WPRPVWTQSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@H]1C[C@]1(C)CNc1ncccn1 575572661 352737578 /nfs/dbraw/zinc/73/75/78/352737578.db2.gz WHRPTORBZXGDPB-WCBMZHEXSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1ncccn1 575572657 352737611 /nfs/dbraw/zinc/73/76/11/352737611.db2.gz WHRPTORBZXGDPB-PSASIEDQSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ncc(N)cn1 575572631 352737630 /nfs/dbraw/zinc/73/76/30/352737630.db2.gz WAPDLQKAWVHNEZ-HZGVNTEJSA-N 0 0 178.239 1.269 10 0 ADAERN O=Cc1cnc(-c2csnn2)o1 575572817 352737897 /nfs/dbraw/zinc/73/78/97/352737897.db2.gz QOHDLKNHQOYTMS-UHFFFAOYSA-N 0 0 181.176 1.006 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1nnc(C=O)s1 575572712 352737936 /nfs/dbraw/zinc/73/79/36/352737936.db2.gz SOPLEVVHLFYLLX-WDSKDSINSA-N 0 0 198.247 1.243 10 0 ADAERN C[C@H]1OCC[C@@H]1c1nnc(C=O)s1 575572710 352737963 /nfs/dbraw/zinc/73/79/63/352737963.db2.gz SOPLEVVHLFYLLX-RITPCOANSA-N 0 0 198.247 1.243 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1nncn1C 575572718 352738150 /nfs/dbraw/zinc/73/81/50/352738150.db2.gz WSZYTNHPYVOXRG-MUWHJKNJSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1nncn1C 575572727 352738272 /nfs/dbraw/zinc/73/82/72/352738272.db2.gz WSZYTNHPYVOXRG-RCOVLWMOSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1nncn1C 575572707 352738282 /nfs/dbraw/zinc/73/82/82/352738282.db2.gz WSZYTNHPYVOXRG-HZGVNTEJSA-N 0 0 179.223 1.044 10 0 ADAERN CNc1cncc(N[C@H](C)CF)c1 575572722 352738307 /nfs/dbraw/zinc/73/83/07/352738307.db2.gz QAWPDQKSYYPMAJ-SSDOTTSWSA-N 0 0 183.230 1.893 10 0 ADAERN C[C@H]1OCC[C@H]1c1nnc(C=O)s1 575572709 352738312 /nfs/dbraw/zinc/73/83/12/352738312.db2.gz SOPLEVVHLFYLLX-PHDIDXHHSA-N 0 0 198.247 1.243 10 0 ADAERN CNc1cncc(N[C@@H](C)CF)c1 575572732 352738314 /nfs/dbraw/zinc/73/83/14/352738314.db2.gz QAWPDQKSYYPMAJ-ZETCQYMHSA-N 0 0 183.230 1.893 10 0 ADAERN Cc1c([C@@]2(C)C[C@H]2C)noc1N 575572840 352738342 /nfs/dbraw/zinc/73/83/42/352738342.db2.gz QQAHDCOMMJFFRZ-ANLVUFKYSA-N 0 0 166.224 1.863 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1nncn1C 575572716 352738347 /nfs/dbraw/zinc/73/83/47/352738347.db2.gz WSZYTNHPYVOXRG-IMTBSYHQSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@](N)(c1ccsn1)C(F)F 575572939 352738481 /nfs/dbraw/zinc/73/84/81/352738481.db2.gz UQBJYJNMTHUKKB-LURJTMIESA-N 0 0 178.207 1.582 10 0 ADAERN Cc1c([C@@]2(C)C[C@@H]2C)noc1N 575572850 352738554 /nfs/dbraw/zinc/73/85/54/352738554.db2.gz QQAHDCOMMJFFRZ-CDUCUWFYSA-N 0 0 166.224 1.863 10 0 ADAERN CC1(C)C[C@@H]1c1nnc(C=O)s1 575572923 352738559 /nfs/dbraw/zinc/73/85/59/352738559.db2.gz UKFBRFIUGDOQOX-RXMQYKEDSA-N 0 0 182.248 1.864 10 0 ADAERN Cc1c([C@]2(C)C[C@@H]2C)noc1N 575572852 352738615 /nfs/dbraw/zinc/73/86/15/352738615.db2.gz QQAHDCOMMJFFRZ-SSDLBLMSSA-N 0 0 166.224 1.863 10 0 ADAERN CC1(C)C[C@H]1c1nnc(C=O)s1 575572924 352738655 /nfs/dbraw/zinc/73/86/55/352738655.db2.gz UKFBRFIUGDOQOX-YFKPBYRVSA-N 0 0 182.248 1.864 10 0 ADAERN Cc1c([C@]2(C)C[C@H]2C)noc1N 575572851 352738802 /nfs/dbraw/zinc/73/88/02/352738802.db2.gz QQAHDCOMMJFFRZ-MLUIRONXSA-N 0 0 166.224 1.863 10 0 ADAERN C[C@@](N)(c1ccsn1)C(F)F 575572941 352738818 /nfs/dbraw/zinc/73/88/18/352738818.db2.gz UQBJYJNMTHUKKB-ZCFIWIBFSA-N 0 0 178.207 1.582 10 0 ADAERN C[C@](N)(c1cscn1)C(F)F 575572968 352738867 /nfs/dbraw/zinc/73/88/67/352738867.db2.gz VASDJJUPLRZNMZ-LURJTMIESA-N 0 0 178.207 1.582 10 0 ADAERN C[C@@](N)(c1cscn1)C(F)F 575572969 352738903 /nfs/dbraw/zinc/73/89/03/352738903.db2.gz VASDJJUPLRZNMZ-ZCFIWIBFSA-N 0 0 178.207 1.582 10 0 ADAERN Cc1ncc([C@](C)(N)C(F)F)s1 575572984 352739237 /nfs/dbraw/zinc/73/92/37/352739237.db2.gz VIORCGSTWLPTJD-ZETCQYMHSA-N 0 0 192.234 1.891 10 0 ADAERN Cc1ncc([C@@](C)(N)C(F)F)s1 575572983 352739520 /nfs/dbraw/zinc/73/95/20/352739520.db2.gz VIORCGSTWLPTJD-SSDOTTSWSA-N 0 0 192.234 1.891 10 0 ADAERN Clc1ccc(N[C@@H]2CNOC2)cc1 575573092 352739629 /nfs/dbraw/zinc/73/96/29/352739629.db2.gz SILBLBQEZWLRJO-SECBINFHSA-N 0 0 198.653 1.655 10 0 ADAERN Clc1ccc(N[C@H]2CNOC2)cc1 575573093 352739662 /nfs/dbraw/zinc/73/96/62/352739662.db2.gz SILBLBQEZWLRJO-VIFPVBQESA-N 0 0 198.653 1.655 10 0 ADAERN Clc1cccc(N[C@H]2CNOC2)c1 575573137 352740082 /nfs/dbraw/zinc/74/00/82/352740082.db2.gz TVTKJWOKOSPMTQ-VIFPVBQESA-N 0 0 198.653 1.655 10 0 ADAERN C[C@H](CF)Nc1ccnc(F)c1 575573229 352740107 /nfs/dbraw/zinc/74/01/07/352740107.db2.gz ZMDYYZVNAXCOFB-ZCFIWIBFSA-N 0 0 172.178 1.991 10 0 ADAERN Clc1cccc(N[C@@H]2CNOC2)c1 575573136 352740175 /nfs/dbraw/zinc/74/01/75/352740175.db2.gz TVTKJWOKOSPMTQ-SECBINFHSA-N 0 0 198.653 1.655 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1ccn(C)n1 575573204 352740226 /nfs/dbraw/zinc/74/02/26/352740226.db2.gz UUJFGZDLUHZYBV-XCBNKYQSSA-N 0 0 178.235 1.649 10 0 ADAERN O=C1CO[C@@H](c2cncc(Cl)c2)C1 575573165 352740230 /nfs/dbraw/zinc/74/02/30/352740230.db2.gz UPPXUPHKHGTZDS-SECBINFHSA-N 0 0 197.621 1.766 10 0 ADAERN O=C1CO[C@H](c2cncc(Cl)c2)C1 575573166 352740233 /nfs/dbraw/zinc/74/02/33/352740233.db2.gz UPPXUPHKHGTZDS-VIFPVBQESA-N 0 0 197.621 1.766 10 0 ADAERN C[C@@H](CF)Nc1cc(Cl)ncn1 575573234 352740300 /nfs/dbraw/zinc/74/03/00/352740300.db2.gz ZQDZCSCGDWTYJH-YFKPBYRVSA-N 0 0 189.621 1.900 10 0 ADAERN C[C@H](CF)Nc1cc(Cl)ncn1 575573233 352740327 /nfs/dbraw/zinc/74/03/27/352740327.db2.gz ZQDZCSCGDWTYJH-RXMQYKEDSA-N 0 0 189.621 1.900 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1ccn(C)n1 575573203 352740341 /nfs/dbraw/zinc/74/03/41/352740341.db2.gz UUJFGZDLUHZYBV-OIBJUYFYSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1ccn(C)n1 575573205 352740346 /nfs/dbraw/zinc/74/03/46/352740346.db2.gz UUJFGZDLUHZYBV-XVKPBYJWSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H](CF)Nc1ccnc(F)c1 575573228 352740354 /nfs/dbraw/zinc/74/03/54/352740354.db2.gz ZMDYYZVNAXCOFB-LURJTMIESA-N 0 0 172.178 1.991 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccn(C)n1 575573202 352740419 /nfs/dbraw/zinc/74/04/19/352740419.db2.gz UUJFGZDLUHZYBV-GMSGAONNSA-N 0 0 178.235 1.649 10 0 ADAERN COCC(=O)[C@]1(C)C[C@H]1C 575573356 352740840 /nfs/dbraw/zinc/74/08/40/352740840.db2.gz UXQQCVWYPIVWJI-HTRCEHHLSA-N 0 0 142.198 1.248 10 0 ADAERN COCC(=O)[C@@]1(C)C[C@@H]1C 575573360 352740977 /nfs/dbraw/zinc/74/09/77/352740977.db2.gz UXQQCVWYPIVWJI-XPUUQOCRSA-N 0 0 142.198 1.248 10 0 ADAERN C[C@H]1C[C@@]1(C)c1ncc(C=O)o1 575573330 352741032 /nfs/dbraw/zinc/74/10/32/352741032.db2.gz XHQSHSOHESZZRR-IMTBSYHQSA-N 0 0 165.192 1.785 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1ncc(C=O)o1 575573328 352741065 /nfs/dbraw/zinc/74/10/65/352741065.db2.gz XHQSHSOHESZZRR-HZGVNTEJSA-N 0 0 165.192 1.785 10 0 ADAERN COCC(=O)[C@@]1(C)C[C@H]1C 575573358 352741103 /nfs/dbraw/zinc/74/11/03/352741103.db2.gz UXQQCVWYPIVWJI-SVRRBLITSA-N 0 0 142.198 1.248 10 0 ADAERN Cn1cncc1[C@@](C)(N)C(F)(F)F 575573284 352741130 /nfs/dbraw/zinc/74/11/30/352741130.db2.gz WICREPQEHIFSOQ-ZCFIWIBFSA-N 0 0 193.172 1.156 10 0 ADAERN Cn1cncc1[C@](C)(N)C(F)(F)F 575573283 352741206 /nfs/dbraw/zinc/74/12/06/352741206.db2.gz WICREPQEHIFSOQ-LURJTMIESA-N 0 0 193.172 1.156 10 0 ADAERN C[C@@H]1C[C@]1(C)c1ncc(C=O)o1 575573331 352741254 /nfs/dbraw/zinc/74/12/54/352741254.db2.gz XHQSHSOHESZZRR-MUWHJKNJSA-N 0 0 165.192 1.785 10 0 ADAERN Cc1cocc1-c1nnc(C=O)s1 575573393 352741257 /nfs/dbraw/zinc/74/12/57/352741257.db2.gz XRMGDPFSWQQGJU-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN C[C@H]1C[C@]1(C)c1ncc(C=O)o1 575573332 352741275 /nfs/dbraw/zinc/74/12/75/352741275.db2.gz XHQSHSOHESZZRR-RCOVLWMOSA-N 0 0 165.192 1.785 10 0 ADAERN C[C@H]1C[C@]1(C)c1nnc(C=O)s1 575573581 352741533 /nfs/dbraw/zinc/74/15/33/352741533.db2.gz YNXHKISEFIMCBE-XNCJUZBTSA-N 0 0 182.248 1.648 10 0 ADAERN C[C@H]1C[C@@]([NH3+])(c2cn(C)cn2)CS1 575573443 352741541 /nfs/dbraw/zinc/74/15/41/352741541.db2.gz VWRYSIGMEFAOQF-CBAPKCEASA-N 0 0 197.307 1.100 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cncnc1 575573452 352741577 /nfs/dbraw/zinc/74/15/77/352741577.db2.gz VZQBIJJUEUHFHG-OIBJUYFYSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1ccnn1C 575573415 352741589 /nfs/dbraw/zinc/74/15/89/352741589.db2.gz VKNFWVPBEVUGFS-OIBJUYFYSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cn(C)cn1 575573569 352741614 /nfs/dbraw/zinc/74/16/14/352741614.db2.gz WRVCHLULSKXSGZ-OIBJUYFYSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cnn(C)n1 575573436 352741669 /nfs/dbraw/zinc/74/16/69/352741669.db2.gz VTWIDWXQYZISDC-RCOVLWMOSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@H]1C[C@]([NH3+])(c2cn(C)cn2)CS1 575573444 352741706 /nfs/dbraw/zinc/74/17/06/352741706.db2.gz VWRYSIGMEFAOQF-IONNQARKSA-N 0 0 197.307 1.100 10 0 ADAERN C[C@@H]1C[C@@]([NH3+])(c2cn(C)cn2)CS1 575573442 352741716 /nfs/dbraw/zinc/74/17/16/352741716.db2.gz VWRYSIGMEFAOQF-APPZFPTMSA-N 0 0 197.307 1.100 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cn(C)cn1 575573567 352741726 /nfs/dbraw/zinc/74/17/26/352741726.db2.gz WRVCHLULSKXSGZ-GMSGAONNSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1nnc(C=O)s1 575573579 352741732 /nfs/dbraw/zinc/74/17/32/352741732.db2.gz YNXHKISEFIMCBE-SVGQVSJJSA-N 0 0 182.248 1.648 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nnc(C=O)s1 575573583 352741768 /nfs/dbraw/zinc/74/17/68/352741768.db2.gz YNXHKISEFIMCBE-XRGYYRRGSA-N 0 0 182.248 1.648 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cnn(C)n1 575573433 352741773 /nfs/dbraw/zinc/74/17/73/352741773.db2.gz VTWIDWXQYZISDC-HZGVNTEJSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cn(C)cn1 575573571 352741778 /nfs/dbraw/zinc/74/17/78/352741778.db2.gz WRVCHLULSKXSGZ-XCBNKYQSSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cncnc1 575573451 352741788 /nfs/dbraw/zinc/74/17/88/352741788.db2.gz VZQBIJJUEUHFHG-GMSGAONNSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@@H]1C[C@@]([NH3+])(c2cncn2C)CS1 575573644 352742383 /nfs/dbraw/zinc/74/23/83/352742383.db2.gz XMOFGSQUPPEZRR-APPZFPTMSA-N 0 0 197.307 1.100 10 0 ADAERN C[C@@H]1C[C@]([NH3+])(c2cn(C)cn2)CS1 575573445 352741819 /nfs/dbraw/zinc/74/18/19/352741819.db2.gz VWRYSIGMEFAOQF-VXNVDRBHSA-N 0 0 197.307 1.100 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1ccnn1C 575573417 352741853 /nfs/dbraw/zinc/74/18/53/352741853.db2.gz VKNFWVPBEVUGFS-XVKPBYJWSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1ccnn1C 575573416 352741916 /nfs/dbraw/zinc/74/19/16/352741916.db2.gz VKNFWVPBEVUGFS-XCBNKYQSSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cncnc1 575573453 352741941 /nfs/dbraw/zinc/74/19/41/352741941.db2.gz VZQBIJJUEUHFHG-XCBNKYQSSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccnn1C 575573413 352741948 /nfs/dbraw/zinc/74/19/48/352741948.db2.gz VKNFWVPBEVUGFS-GMSGAONNSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cnn(C)n1 575573435 352741951 /nfs/dbraw/zinc/74/19/51/352741951.db2.gz VTWIDWXQYZISDC-MUWHJKNJSA-N 0 0 179.223 1.044 10 0 ADAERN C[NH2+]Cc1ccc(SC)cn1 575573552 352741959 /nfs/dbraw/zinc/74/19/59/352741959.db2.gz WRNIAXYOYVVVQQ-UHFFFAOYSA-N 0 0 168.265 1.523 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cn(C)cn1 575573573 352741973 /nfs/dbraw/zinc/74/19/73/352741973.db2.gz WRVCHLULSKXSGZ-XVKPBYJWSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cnn(C)n1 575573434 352741999 /nfs/dbraw/zinc/74/19/99/352741999.db2.gz VTWIDWXQYZISDC-IMTBSYHQSA-N 0 0 179.223 1.044 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cncnc1 575573454 352742006 /nfs/dbraw/zinc/74/20/06/352742006.db2.gz VZQBIJJUEUHFHG-XVKPBYJWSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@H]1C[C@@]1(C)c1nnc(C=O)s1 575573586 352742248 /nfs/dbraw/zinc/74/22/48/352742248.db2.gz YNXHKISEFIMCBE-YLWLKBPMSA-N 0 0 182.248 1.648 10 0 ADAERN C[C@@H]1C[C@]1(C)C(=O)c1cnccn1 575573640 352742270 /nfs/dbraw/zinc/74/22/70/352742270.db2.gz XMNKHGXYLZKLLN-XCBNKYQSSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@@H]1C[C@]([NH3+])(c2cncn2C)CS1 575573650 352742275 /nfs/dbraw/zinc/74/22/75/352742275.db2.gz XMOFGSQUPPEZRR-VXNVDRBHSA-N 0 0 197.307 1.100 10 0 ADAERN CCCc1nnc(C=O)s1 575573628 352742296 /nfs/dbraw/zinc/74/22/96/352742296.db2.gz YVACWONMKQFCCJ-UHFFFAOYSA-N 0 0 156.210 1.303 10 0 ADAERN C[C@H]1C[C@]([NH3+])(c2cncn2C)CS1 575573648 352742330 /nfs/dbraw/zinc/74/23/30/352742330.db2.gz XMOFGSQUPPEZRR-IONNQARKSA-N 0 0 197.307 1.100 10 0 ADAERN O=Cc1nnc([C@]23CCC[C@H]2C3)s1 575573632 352742350 /nfs/dbraw/zinc/74/23/50/352742350.db2.gz YVTAJHLFWGLSPL-RCOVLWMOSA-N 0 0 194.259 1.792 10 0 ADAERN C[C@H]1C[C@@]([NH3+])(c2cncn2C)CS1 575573646 352742479 /nfs/dbraw/zinc/74/24/79/352742479.db2.gz XMOFGSQUPPEZRR-CBAPKCEASA-N 0 0 197.307 1.100 10 0 ADAERN O=Cc1nnc([C@@]23CCC[C@@H]2C3)s1 575573629 352742416 /nfs/dbraw/zinc/74/24/16/352742416.db2.gz YVTAJHLFWGLSPL-HZGVNTEJSA-N 0 0 194.259 1.792 10 0 ADAERN C[C@H]1COC[C@H]1c1nnc(C=O)s1 575573699 352742440 /nfs/dbraw/zinc/74/24/40/352742440.db2.gz ZMEOGAVKFKENJS-NTSWFWBYSA-N 0 0 198.247 1.101 10 0 ADAERN C[C@@H]1COC[C@@H]1c1nnc(C=O)s1 575573701 352742462 /nfs/dbraw/zinc/74/24/62/352742462.db2.gz ZMEOGAVKFKENJS-RITPCOANSA-N 0 0 198.247 1.101 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cnccn1 575573638 352742493 /nfs/dbraw/zinc/74/24/93/352742493.db2.gz XMNKHGXYLZKLLN-OIBJUYFYSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cnccn1 575573642 352742520 /nfs/dbraw/zinc/74/25/20/352742520.db2.gz XMNKHGXYLZKLLN-XVKPBYJWSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cnccn1 575573636 352742563 /nfs/dbraw/zinc/74/25/63/352742563.db2.gz XMNKHGXYLZKLLN-GMSGAONNSA-N 0 0 176.219 1.705 10 0 ADAERN C[C@@H]1COC[C@H]1c1nnc(C=O)s1 575573700 352742569 /nfs/dbraw/zinc/74/25/69/352742569.db2.gz ZMEOGAVKFKENJS-PHDIDXHHSA-N 0 0 198.247 1.101 10 0 ADAERN C[C@H]1C[C@]1(C)C(=O)c1cncn1C 575573760 352743042 /nfs/dbraw/zinc/74/30/42/352743042.db2.gz ZYCUEBMRCUFVTB-XVKPBYJWSA-N 0 0 178.235 1.649 10 0 ADAERN C[C@@H]1C[C@@]1(C)C(=O)c1cncn1C 575573757 352743109 /nfs/dbraw/zinc/74/31/09/352743109.db2.gz ZYCUEBMRCUFVTB-GMSGAONNSA-N 0 0 178.235 1.649 10 0 ADAERN Cn1nc(C(C)(F)F)c(F)c1N 575573774 352743144 /nfs/dbraw/zinc/74/31/44/352743144.db2.gz ABCSLDWUPMENLV-UHFFFAOYSA-N 0 0 179.145 1.253 10 0 ADAERN Cn1nc(-c2ccco2)c(F)c1N 575573796 352743190 /nfs/dbraw/zinc/74/31/90/352743190.db2.gz BCPHAWKCZASPBN-UHFFFAOYSA-N 0 0 181.170 1.401 10 0 ADAERN C[C@H]1COC[C@@H]1c1nnc(C=O)s1 575573702 352743271 /nfs/dbraw/zinc/74/32/71/352743271.db2.gz ZMEOGAVKFKENJS-WDSKDSINSA-N 0 0 198.247 1.101 10 0 ADAERN C[C@H]1C[C@@]1(C)C(=O)c1cncn1C 575573758 352743311 /nfs/dbraw/zinc/74/33/11/352743311.db2.gz ZYCUEBMRCUFVTB-OIBJUYFYSA-N 0 0 178.235 1.649 10 0 ADAERN CC(C)c1nn(C)c(N)c1F 575573951 352743851 /nfs/dbraw/zinc/74/38/51/352743851.db2.gz DSEOGSIOGRRCAO-UHFFFAOYSA-N 0 0 157.192 1.265 10 0 ADAERN Cn1nc(C(C)(C)C)c(F)c1N 575573853 352743916 /nfs/dbraw/zinc/74/39/16/352743916.db2.gz BWLWSTMVBBKAEJ-UHFFFAOYSA-N 0 0 171.219 1.439 10 0 ADAERN CC[C@@H](C)c1nn(C)c(N)c1F 575574161 352744279 /nfs/dbraw/zinc/74/42/79/352744279.db2.gz KMLHGZLGXFIYPO-RXMQYKEDSA-N 0 0 171.219 1.655 10 0 ADAERN CC(C)Cc1cnn2c1NCC2 575574062 352744314 /nfs/dbraw/zinc/74/43/14/352744314.db2.gz GIRJXSYKQDEZLJ-UHFFFAOYSA-N 0 0 165.240 1.507 10 0 ADAERN CCCc1nn(C)c(N)c1F 575574064 352744349 /nfs/dbraw/zinc/74/43/49/352744349.db2.gz GLKHEOSODKPRRS-UHFFFAOYSA-N 0 0 157.192 1.094 10 0 ADAERN CC1(C)C[C@H]1Cn1nccc1N 575574150 352744409 /nfs/dbraw/zinc/74/44/09/352744409.db2.gz KBTAQIJIBKJAJL-ZETCQYMHSA-N 0 0 165.240 1.511 10 0 ADAERN Cc1cc(N)n(C[C@H]2CC2(C)C)n1 575574154 352744414 /nfs/dbraw/zinc/74/44/14/352744414.db2.gz KIWYMGMGUJBCHK-MRVPVSSYSA-N 0 0 179.267 1.820 10 0 ADAERN CC[C@H](C)c1nn(C)c(N)c1F 575574162 352744432 /nfs/dbraw/zinc/74/44/32/352744432.db2.gz KMLHGZLGXFIYPO-YFKPBYRVSA-N 0 0 171.219 1.655 10 0 ADAERN CC1(C)C[C@@H]1Cn1nccc1N 575574149 352744523 /nfs/dbraw/zinc/74/45/23/352744523.db2.gz KBTAQIJIBKJAJL-SSDOTTSWSA-N 0 0 165.240 1.511 10 0 ADAERN Cc1cc(N)n(C[C@@H]2CC2(C)C)n1 575574155 352744715 /nfs/dbraw/zinc/74/47/15/352744715.db2.gz KIWYMGMGUJBCHK-QMMMGPOBSA-N 0 0 179.267 1.820 10 0 ADAERN Cn1nc(C(F)(F)F)c(F)c1N 575574264 352745247 /nfs/dbraw/zinc/74/52/47/352745247.db2.gz NZXPITIJMWRUFY-UHFFFAOYSA-N 0 0 183.108 1.160 10 0 ADAERN c1nn2c(c1C1CC1)NCC2 575574259 352745271 /nfs/dbraw/zinc/74/52/71/352745271.db2.gz NVHDBHQFABTNOO-UHFFFAOYSA-N 0 0 149.197 1.186 10 0 ADAERN C[C@]12CCCC[C@@H]1C[N@@H+]2CC(=O)[O-] 575574306 352745839 /nfs/dbraw/zinc/74/58/39/352745839.db2.gz QHNAYEXVCNIYCU-SCZZXKLOSA-N 0 0 183.251 1.336 10 0 ADAERN Cn1nc(C2CCC2)c(F)c1N 575574467 352745999 /nfs/dbraw/zinc/74/59/99/352745999.db2.gz VIJQFVLONMPIDV-UHFFFAOYSA-N 0 0 169.203 1.409 10 0 ADAERN C[C@@]12CCCC[C@H]1C[N@@H+]2CC(=O)[O-] 575574307 352746008 /nfs/dbraw/zinc/74/60/08/352746008.db2.gz QHNAYEXVCNIYCU-WCBMZHEXSA-N 0 0 183.251 1.336 10 0 ADAERN CC(C)Cc1nn(C)c(N)c1F 575574491 352746064 /nfs/dbraw/zinc/74/60/64/352746064.db2.gz WHDMGDIBBMCMBV-UHFFFAOYSA-N 0 0 171.219 1.340 10 0 ADAERN C[C@@]12CCCC[C@@H]1C[N@@H+]2CC(=O)[O-] 575574305 352746111 /nfs/dbraw/zinc/74/61/11/352746111.db2.gz QHNAYEXVCNIYCU-PSASIEDQSA-N 0 0 183.251 1.336 10 0 ADAERN Cc1cnn(C[C@H]2CC2(C)C)c1N 575574440 352746156 /nfs/dbraw/zinc/74/61/56/352746156.db2.gz SLGUVRIBNAWBQF-MRVPVSSYSA-N 0 0 179.267 1.820 10 0 ADAERN CC(C)c1cnn2c1NCC2 575574448 352746161 /nfs/dbraw/zinc/74/61/61/352746161.db2.gz SXLVDQVRAHLFKI-UHFFFAOYSA-N 0 0 151.213 1.432 10 0 ADAERN Cc1cnn(C[C@@H]2CC2(C)C)c1N 575574441 352746180 /nfs/dbraw/zinc/74/61/80/352746180.db2.gz SLGUVRIBNAWBQF-QMMMGPOBSA-N 0 0 179.267 1.820 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H]1C1N=NC(=O)O1 575574596 352746425 /nfs/dbraw/zinc/74/64/25/352746425.db2.gz FHYDWZZWBRTTDE-WDSKDSINSA-N 0 0 182.223 1.925 10 0 ADAERN Cn1nc(CC2CC2)c(F)c1N 575574511 352746439 /nfs/dbraw/zinc/74/64/39/352746439.db2.gz XEFGACASQDSXKS-UHFFFAOYSA-N 0 0 169.203 1.094 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]1C1N=NC(=O)O1 575574593 352746444 /nfs/dbraw/zinc/74/64/44/352746444.db2.gz FHYDWZZWBRTTDE-NTSWFWBYSA-N 0 0 182.223 1.925 10 0 ADAERN C[C@H]1C[C@@H]1c1nn(C)c(N)c1F 575574499 352746487 /nfs/dbraw/zinc/74/64/87/352746487.db2.gz WJWWWHQCLYXVDF-WHFBIAKZSA-N 0 0 169.203 1.265 10 0 ADAERN Cn1nc(-c2ccoc2)c(F)c1N 575574513 352746502 /nfs/dbraw/zinc/74/65/02/352746502.db2.gz XIKRVGHYUHOOJB-UHFFFAOYSA-N 0 0 181.170 1.401 10 0 ADAERN c1c[nH]c(N2CC[C@@H]3C[C@@H]3C2)n1 575574577 352746506 /nfs/dbraw/zinc/74/65/06/352746506.db2.gz BLLMJXHGGNYSLW-HTQZYQBOSA-N 0 0 163.224 1.256 10 0 ADAERN C[C@@H]1C[C@H]1c1nn(C)c(N)c1F 575574497 352746514 /nfs/dbraw/zinc/74/65/14/352746514.db2.gz WJWWWHQCLYXVDF-RFZPGFLSSA-N 0 0 169.203 1.265 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1C1N=NC(=O)O1 575574594 352746524 /nfs/dbraw/zinc/74/65/24/352746524.db2.gz FHYDWZZWBRTTDE-PHDIDXHHSA-N 0 0 182.223 1.925 10 0 ADAERN c1c[nH]c(N2CC[C@H]3C[C@H]3C2)n1 575574580 352746593 /nfs/dbraw/zinc/74/65/93/352746593.db2.gz BLLMJXHGGNYSLW-YUMQZZPRSA-N 0 0 163.224 1.256 10 0 ADAERN Cn1nc(C2(C)CC2)c(F)c1N 575574553 352746615 /nfs/dbraw/zinc/74/66/15/352746615.db2.gz ZNKCXHFQFFUZIV-UHFFFAOYSA-N 0 0 169.203 1.193 10 0 ADAERN C[C@@H]1C[C@@H]1c1nn(C)c(N)c1F 575574498 352746660 /nfs/dbraw/zinc/74/66/60/352746660.db2.gz WJWWWHQCLYXVDF-UHNVWZDZSA-N 0 0 169.203 1.265 10 0 ADAERN C[C@H]1C[C@H]1c1nn(C)c(N)c1F 575574496 352746679 /nfs/dbraw/zinc/74/66/79/352746679.db2.gz WJWWWHQCLYXVDF-CRCLSJGQSA-N 0 0 169.203 1.265 10 0 ADAERN Cc1ccc(-c2[nH]nc(N)c2F)o1 575574552 352746707 /nfs/dbraw/zinc/74/67/07/352746707.db2.gz ZLRCVLNJDNHRAH-UHFFFAOYSA-N 0 0 181.170 1.699 10 0 ADAERN Nc1n[nH]c(-c2ccncc2)c1F 575574509 352746741 /nfs/dbraw/zinc/74/67/41/352746741.db2.gz WZGILFXSZBTCFK-UHFFFAOYSA-N 0 0 178.170 1.193 10 0 ADAERN CC(C)(C)[C@H]1C[C@H]1C1N=NC(=O)O1 575574595 352746751 /nfs/dbraw/zinc/74/67/51/352746751.db2.gz FHYDWZZWBRTTDE-RITPCOANSA-N 0 0 182.223 1.925 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@@H]1CC12CC2 575574702 352747033 /nfs/dbraw/zinc/74/70/33/352747033.db2.gz WXTOSIKPJVEAPX-IONNQARKSA-N 0 0 163.220 1.848 10 0 ADAERN O[C@H]1CC[C@H]1Sc1ncc[nH]1 575574662 352747072 /nfs/dbraw/zinc/74/70/72/352747072.db2.gz NCIQTNBXQCRFKW-NTSWFWBYSA-N 0 0 170.237 1.025 10 0 ADAERN S=c1[nH]cncc1-c1cncs1 575574709 352747081 /nfs/dbraw/zinc/74/70/81/352747081.db2.gz XITDGOODKJWYGK-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN F[C@H]1CCCN(c2ncc[nH]2)C1 575574659 352747089 /nfs/dbraw/zinc/74/70/89/352747089.db2.gz MMDHRLYLKBWDRE-ZETCQYMHSA-N 0 0 169.203 1.348 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@@H]1CC12CC2 575574701 352747160 /nfs/dbraw/zinc/74/71/60/352747160.db2.gz WXTOSIKPJVEAPX-CBAPKCEASA-N 0 0 163.220 1.848 10 0 ADAERN c1c[nH]c(N2CCC[C@H]2C2CC2)n1 575574667 352747166 /nfs/dbraw/zinc/74/71/66/352747166.db2.gz NNPPGZSJZBFMRG-VIFPVBQESA-N 0 0 177.251 1.789 10 0 ADAERN c1c[nH]c(N2CCC[C@@H]2C2CC2)n1 575574666 352747191 /nfs/dbraw/zinc/74/71/91/352747191.db2.gz NNPPGZSJZBFMRG-SECBINFHSA-N 0 0 177.251 1.789 10 0 ADAERN O[C@@H]1CC[C@@H]1Sc1ncc[nH]1 575574664 352747225 /nfs/dbraw/zinc/74/72/25/352747225.db2.gz NCIQTNBXQCRFKW-RITPCOANSA-N 0 0 170.237 1.025 10 0 ADAERN O[C@H]1CC[C@@H]1Sc1ncc[nH]1 575574665 352747244 /nfs/dbraw/zinc/74/72/44/352747244.db2.gz NCIQTNBXQCRFKW-WDSKDSINSA-N 0 0 170.237 1.025 10 0 ADAERN Fc1cncc(Sc2ncc[nH]2)n1 575574649 352747273 /nfs/dbraw/zinc/74/72/73/352747273.db2.gz LUJFMKYBHVSNKH-UHFFFAOYSA-N 0 0 196.210 1.490 10 0 ADAERN O[C@@H]1CC[C@H]1Sc1ncc[nH]1 575574663 352747331 /nfs/dbraw/zinc/74/73/31/352747331.db2.gz NCIQTNBXQCRFKW-PHDIDXHHSA-N 0 0 170.237 1.025 10 0 ADAERN O=c1cc(F)nc(C2CC2)[nH]1 575574705 352747453 /nfs/dbraw/zinc/74/74/53/352747453.db2.gz XEOGHYDBCJNFRI-UHFFFAOYSA-N 0 0 154.144 1.199 10 0 ADAERN O=c1[nH]ccn1C1CC(F)(F)C1 575574641 352747467 /nfs/dbraw/zinc/74/74/67/352747467.db2.gz LBPKPFWOANUOAU-UHFFFAOYSA-N 0 0 174.150 1.559 10 0 ADAERN O[C@H](c1ccc[nH]1)[C@H]1CC12CC2 575574700 352747483 /nfs/dbraw/zinc/74/74/83/352747483.db2.gz WXTOSIKPJVEAPX-APPZFPTMSA-N 0 0 163.220 1.848 10 0 ADAERN Cc1c[nH]c(N2CCC(F)CC2)n1 575574609 352747525 /nfs/dbraw/zinc/74/75/25/352747525.db2.gz GUIGYPRWPPOSRW-UHFFFAOYSA-N 0 0 183.230 1.656 10 0 ADAERN F[C@@H]1CCCN(c2ncc[nH]2)C1 575574658 352747533 /nfs/dbraw/zinc/74/75/33/352747533.db2.gz MMDHRLYLKBWDRE-SSDOTTSWSA-N 0 0 169.203 1.348 10 0 ADAERN CC1(n2c(=O)[nH][nH]c2=S)CC=CC1 575574635 352747547 /nfs/dbraw/zinc/74/75/47/352747547.db2.gz JZKODPUJMRBPEZ-UHFFFAOYSA-N 0 0 197.263 1.338 10 0 ADAERN O[C@@H](c1ccc[nH]1)[C@H]1CC12CC2 575574703 352747552 /nfs/dbraw/zinc/74/75/52/352747552.db2.gz WXTOSIKPJVEAPX-VXNVDRBHSA-N 0 0 163.220 1.848 10 0 ADAERN O=C1CCC(O[C@@H]2CC[C@@H]2O)CC1 575574759 352747870 /nfs/dbraw/zinc/74/78/70/352747870.db2.gz ABQNYMLKBNCKOJ-VHSXEESVSA-N 0 0 184.235 1.038 10 0 ADAERN C/C=C/[C@H](NN)c1ccoc1 575574858 352747881 /nfs/dbraw/zinc/74/78/81/352747881.db2.gz BRORGZANZJKZLD-SGJFDWMWSA-N 0 0 152.197 1.360 10 0 ADAERN S=c1ccc(-c2cncs2)n[nH]1 575574797 352747890 /nfs/dbraw/zinc/74/78/90/352747890.db2.gz BCQCBPFMLNWDIG-UHFFFAOYSA-N 0 0 195.272 1.889 10 0 ADAERN c1n[nH]cc1NC[C@H]1CCCCO1 575574752 352747902 /nfs/dbraw/zinc/74/79/02/352747902.db2.gz ABLTWFZJKWDRGC-SECBINFHSA-N 0 0 181.239 1.391 10 0 ADAERN O=C(C[C@@H]1CC[C@H]1O)C1CC1 575574837 352747919 /nfs/dbraw/zinc/74/79/19/352747919.db2.gz BJRSLYYWQIKVNG-JGVFFNPUSA-N 0 0 154.209 1.127 10 0 ADAERN C[C@@H](c1cscn1)n1cc[nH]c1=O 575574811 352747927 /nfs/dbraw/zinc/74/79/27/352747927.db2.gz CPAFXWGOWJCXEZ-LURJTMIESA-N 0 0 195.247 1.655 10 0 ADAERN Cc1nc([C@H]2CCCO2)c(N)s1 575574781 352747973 /nfs/dbraw/zinc/74/79/73/352747973.db2.gz AHUSDBDOSWQGEM-ZCFIWIBFSA-N 0 0 184.264 1.885 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1ccoc1 575574872 352747976 /nfs/dbraw/zinc/74/79/76/352747976.db2.gz ACOVIGAHTQHPCC-APPZFPTMSA-N 0 0 180.203 1.745 10 0 ADAERN Cc1c[nH]nc1-c1ccc(CO)s1 575574806 352747997 /nfs/dbraw/zinc/74/79/97/352747997.db2.gz BXGMJKMQOBZTSJ-UHFFFAOYSA-N 0 0 194.259 1.939 10 0 ADAERN O=C(C[C@H]1CC[C@@H]1O)C1CC1 575574838 352748031 /nfs/dbraw/zinc/74/80/31/352748031.db2.gz BJRSLYYWQIKVNG-SFYZADRCSA-N 0 0 154.209 1.127 10 0 ADAERN O=C1CCC(O[C@H]2CC[C@@H]2O)CC1 575574757 352748038 /nfs/dbraw/zinc/74/80/38/352748038.db2.gz ABQNYMLKBNCKOJ-UWVGGRQHSA-N 0 0 184.235 1.038 10 0 ADAERN O=C1N=NC([C@@H]2CCCC23CC3)O1 575574845 352748045 /nfs/dbraw/zinc/74/80/45/352748045.db2.gz GAAGBOPVDCCRSV-LURJTMIESA-N 0 0 180.207 1.823 10 0 ADAERN O=C1N=NC([C@H]2CCCC23CC3)O1 575574848 352748057 /nfs/dbraw/zinc/74/80/57/352748057.db2.gz GAAGBOPVDCCRSV-ZCFIWIBFSA-N 0 0 180.207 1.823 10 0 ADAERN FCC1CCN(c2ncc[nH]2)CC1 575574727 352748062 /nfs/dbraw/zinc/74/80/62/352748062.db2.gz YRHGYWIJVKEBPI-UHFFFAOYSA-N 0 0 183.230 1.596 10 0 ADAERN Cc1csc(-c2cc(CO)n[nH]2)n1 575574824 352748137 /nfs/dbraw/zinc/74/81/37/352748137.db2.gz DNZGQUZNTUPEAR-UHFFFAOYSA-N 0 0 195.247 1.334 10 0 ADAERN C/C=C/[C@H](NN)c1ccco1 575574789 352748145 /nfs/dbraw/zinc/74/81/45/352748145.db2.gz ALUUUYMICVQUPR-XBBYQOBLSA-N 0 0 152.197 1.360 10 0 ADAERN C/C=C/[C@@H](NN)c1ccoc1 575574859 352748154 /nfs/dbraw/zinc/74/81/54/352748154.db2.gz BRORGZANZJKZLD-UFUPEUMYSA-N 0 0 152.197 1.360 10 0 ADAERN O=C1CCC(O[C@H]2CC[C@H]2O)CC1 575574761 352748161 /nfs/dbraw/zinc/74/81/61/352748161.db2.gz ABQNYMLKBNCKOJ-ZJUUUORDSA-N 0 0 184.235 1.038 10 0 ADAERN O=C(C[C@H]1CC[C@H]1O)C1CC1 575574836 352748192 /nfs/dbraw/zinc/74/81/92/352748192.db2.gz BJRSLYYWQIKVNG-HTQZYQBOSA-N 0 0 154.209 1.127 10 0 ADAERN C/C=C/[C@@H](NN)c1ccco1 575574788 352748174 /nfs/dbraw/zinc/74/81/74/352748174.db2.gz ALUUUYMICVQUPR-NUOXCJHRSA-N 0 0 152.197 1.360 10 0 ADAERN c1n[nH]cc1NC[C@@H]1CCCCO1 575574754 352748197 /nfs/dbraw/zinc/74/81/97/352748197.db2.gz ABLTWFZJKWDRGC-VIFPVBQESA-N 0 0 181.239 1.391 10 0 ADAERN O=C(C[C@@H]1CC[C@@H]1O)C1CC1 575574840 352748207 /nfs/dbraw/zinc/74/82/07/352748207.db2.gz BJRSLYYWQIKVNG-YUMQZZPRSA-N 0 0 154.209 1.127 10 0 ADAERN O=C1CCC(O[C@@H]2CC[C@H]2O)CC1 575574755 352748210 /nfs/dbraw/zinc/74/82/10/352748210.db2.gz ABQNYMLKBNCKOJ-NXEZZACHSA-N 0 0 184.235 1.038 10 0 ADAERN Cc1nc([C@@H]2CCCO2)c(N)s1 575574776 352748215 /nfs/dbraw/zinc/74/82/15/352748215.db2.gz AHUSDBDOSWQGEM-LURJTMIESA-N 0 0 184.264 1.885 10 0 ADAERN Cc1nnc(-c2ccns2)[nH]1 575574826 352748241 /nfs/dbraw/zinc/74/82/41/352748241.db2.gz FFEIMUFFWFZBMR-UHFFFAOYSA-N 0 0 166.209 1.237 10 0 ADAERN Cc1ncsc1-c1cn[nH]c(=O)c1 575574779 352748252 /nfs/dbraw/zinc/74/82/52/352748252.db2.gz ALGLBUABFOKUNT-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@H](c1cscn1)n1cc[nH]c1=O 575574814 352748257 /nfs/dbraw/zinc/74/82/57/352748257.db2.gz CPAFXWGOWJCXEZ-ZCFIWIBFSA-N 0 0 195.247 1.655 10 0 ADAERN O=C1CSC(N2C[C@H]3CCC[C@H]32)=N1 575574981 352748518 /nfs/dbraw/zinc/74/85/18/352748518.db2.gz NMZKRKTVIKBNHP-RNFRBKRXSA-N 0 0 196.275 1.837 10 0 ADAERN S=c1[nH]nc(-c2ccns2)[nH]1 575574938 352748527 /nfs/dbraw/zinc/74/85/27/352748527.db2.gz MPBNOQNXCHRBIT-UHFFFAOYSA-N 0 0 184.249 1.217 10 0 ADAERN O=C1CSC(N2C[C@@H]3CCC[C@@H]32)=N1 575574979 352748549 /nfs/dbraw/zinc/74/85/49/352748549.db2.gz NMZKRKTVIKBNHP-BQBZGAKWSA-N 0 0 196.275 1.837 10 0 ADAERN O=C1CSC(N2C[C@@H]3CC[C@H]3C2)=N1 575574967 352748611 /nfs/dbraw/zinc/74/86/11/352748611.db2.gz NLORPCDBFWRYJJ-BQBZGAKWSA-N 0 0 196.275 1.695 10 0 ADAERN O=C1CSC(N2C[C@H]3CC[C@H]3C2)=N1 575574973 352748631 /nfs/dbraw/zinc/74/86/31/352748631.db2.gz NLORPCDBFWRYJJ-KNVOCYPGSA-N 0 0 196.275 1.695 10 0 ADAERN CC(C)C(=O)C[C@H]1CC[C@@H]1O 575574901 352748638 /nfs/dbraw/zinc/74/86/38/352748638.db2.gz BYXYKESJXRGMJS-SFYZADRCSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1ccoc1 575574879 352748664 /nfs/dbraw/zinc/74/86/64/352748664.db2.gz ACOVIGAHTQHPCC-VXNVDRBHSA-N 0 0 180.203 1.745 10 0 ADAERN O=C1CSC(N2C[C@H]3CC[C@@H]3C2)=N1 575574978 352748670 /nfs/dbraw/zinc/74/86/70/352748670.db2.gz NLORPCDBFWRYJJ-RNFRBKRXSA-N 0 0 196.275 1.695 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1ccoc1 575574878 352748713 /nfs/dbraw/zinc/74/87/13/352748713.db2.gz ACOVIGAHTQHPCC-IONNQARKSA-N 0 0 180.203 1.745 10 0 ADAERN Cc1ncsc1-c1cc[nH]c(=O)n1 575574883 352748719 /nfs/dbraw/zinc/74/87/19/352748719.db2.gz JNZIKTIQBNDISO-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1ccoc1 575574876 352748724 /nfs/dbraw/zinc/74/87/24/352748724.db2.gz ACOVIGAHTQHPCC-CBAPKCEASA-N 0 0 180.203 1.745 10 0 ADAERN COC1CC(c2noc(N)c2C)C1 575574921 352748804 /nfs/dbraw/zinc/74/88/04/352748804.db2.gz CLNSCAXMTABRCR-UHFFFAOYSA-N 0 0 182.223 1.458 10 0 ADAERN O=C1CSC(N2C[C@@H]3CCC[C@H]32)=N1 575574980 352748907 /nfs/dbraw/zinc/74/89/07/352748907.db2.gz NMZKRKTVIKBNHP-NKWVEPMBSA-N 0 0 196.275 1.837 10 0 ADAERN CC(C)C(=O)C[C@@H]1CC[C@H]1O 575574900 352748916 /nfs/dbraw/zinc/74/89/16/352748916.db2.gz BYXYKESJXRGMJS-JGVFFNPUSA-N 0 0 156.225 1.373 10 0 ADAERN O=C1CSC(N2C[C@H]3CCC[C@@H]32)=N1 575574984 352748920 /nfs/dbraw/zinc/74/89/20/352748920.db2.gz NMZKRKTVIKBNHP-RQJHMYQMSA-N 0 0 196.275 1.837 10 0 ADAERN CC(C)C(=O)C[C@@H]1CC[C@@H]1O 575574902 352748970 /nfs/dbraw/zinc/74/89/70/352748970.db2.gz BYXYKESJXRGMJS-YUMQZZPRSA-N 0 0 156.225 1.373 10 0 ADAERN CC(C)C(=O)C[C@H]1CC[C@H]1O 575574899 352749005 /nfs/dbraw/zinc/74/90/05/352749005.db2.gz BYXYKESJXRGMJS-HTQZYQBOSA-N 0 0 156.225 1.373 10 0 ADAERN S=C1N=NCN1[C@@]12CCCC[C@@H]1C2 575575050 352749218 /nfs/dbraw/zinc/74/92/18/352749218.db2.gz XDDNXFCLIIGXJP-VXNVDRBHSA-N 0 0 195.291 1.856 10 0 ADAERN Cc1c[nH]c([C@@H](O)C2=COCC2)n1 575575040 352749229 /nfs/dbraw/zinc/74/92/29/352749229.db2.gz UGYUKNPUPIHMRF-QMMMGPOBSA-N 0 0 180.207 1.056 10 0 ADAERN Cn1nc(C2CC(C)(C)C2)cc1N 575575120 352749231 /nfs/dbraw/zinc/74/92/31/352749231.db2.gz CPBGJGXSNOINMP-UHFFFAOYSA-N 0 0 179.267 1.906 10 0 ADAERN Cc1c[nH]c([C@H](O)C2=COCC2)n1 575575039 352749243 /nfs/dbraw/zinc/74/92/43/352749243.db2.gz UGYUKNPUPIHMRF-MRVPVSSYSA-N 0 0 180.207 1.056 10 0 ADAERN C[C@H]1C[C@@]1(C)C1N=NC(=S)O1 575575038 352749261 /nfs/dbraw/zinc/74/92/61/352749261.db2.gz SVIOZAAFLNTKBJ-MHTLYPKNSA-N 0 0 170.237 1.656 10 0 ADAERN C[C@H]1C[C@]1(C)C1N=NC(=S)O1 575575037 352749266 /nfs/dbraw/zinc/74/92/66/352749266.db2.gz SVIOZAAFLNTKBJ-FFWSUHOLSA-N 0 0 170.237 1.656 10 0 ADAERN Cc1cocc1[C@H](O)c1cc[nH]c1 575575053 352749311 /nfs/dbraw/zinc/74/93/11/352749311.db2.gz XDSJJWOBKQZNSN-SNVBAGLBSA-N 0 0 177.203 1.998 10 0 ADAERN C[C@@H]1C[C@@H]1c1nnc(C=O)s1 575575074 352749342 /nfs/dbraw/zinc/74/93/42/352749342.db2.gz CFLPMBZZGGLQDL-UHNVWZDZSA-N 0 0 168.221 1.474 10 0 ADAERN C[C@@H]1C[C@@]1(C)C1N=NC(=S)O1 575575033 352749357 /nfs/dbraw/zinc/74/93/57/352749357.db2.gz SVIOZAAFLNTKBJ-CLZZGJSISA-N 0 0 170.237 1.656 10 0 ADAERN S=C1N=NCN1[C@]12CCCC[C@H]1C2 575575048 352749385 /nfs/dbraw/zinc/74/93/85/352749385.db2.gz XDDNXFCLIIGXJP-CBAPKCEASA-N 0 0 195.291 1.856 10 0 ADAERN C[C@H]1C[C@H]1c1nnc(C=O)s1 575575069 352749400 /nfs/dbraw/zinc/74/94/00/352749400.db2.gz CFLPMBZZGGLQDL-CRCLSJGQSA-N 0 0 168.221 1.474 10 0 ADAERN S=c1[nH]nc(-c2ccsn2)[nH]1 575575044 352749437 /nfs/dbraw/zinc/74/94/37/352749437.db2.gz WAFQJHJLMHFSQM-UHFFFAOYSA-N 0 0 184.249 1.217 10 0 ADAERN O=c1[nH]ccn1Cc1ccc(Cl)o1 575575026 352749503 /nfs/dbraw/zinc/74/95/03/352749503.db2.gz SLEVTAKJNQURSC-UHFFFAOYSA-N 0 0 198.609 1.883 10 0 ADAERN C[C@@H]1C[C@H]1c1nnc(C=O)s1 575575073 352749528 /nfs/dbraw/zinc/74/95/28/352749528.db2.gz CFLPMBZZGGLQDL-RFZPGFLSSA-N 0 0 168.221 1.474 10 0 ADAERN C[NH+](C)C1(C(=O)[O-])CC2(CCC2)C1 575575091 352749565 /nfs/dbraw/zinc/74/95/65/352749565.db2.gz DKBOQRAHEHCZSH-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@@H]1C[C@]1(C)C1N=NC(=S)O1 575575036 352749581 /nfs/dbraw/zinc/74/95/81/352749581.db2.gz SVIOZAAFLNTKBJ-FBCQKBJTSA-N 0 0 170.237 1.656 10 0 ADAERN Cc1cocc1[C@@H](O)c1cc[nH]c1 575575052 352749598 /nfs/dbraw/zinc/74/95/98/352749598.db2.gz XDSJJWOBKQZNSN-JTQLQIEISA-N 0 0 177.203 1.998 10 0 ADAERN C[C@H]1C[C@@H]1c1nnc(C=O)s1 575575076 352749650 /nfs/dbraw/zinc/74/96/50/352749650.db2.gz CFLPMBZZGGLQDL-WHFBIAKZSA-N 0 0 168.221 1.474 10 0 ADAERN Cn1cncc1-c1ccc(=S)[nH]n1 575575054 352749661 /nfs/dbraw/zinc/74/96/61/352749661.db2.gz XGPKOTBNVFATIV-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)C1CCC1 575575258 352749911 /nfs/dbraw/zinc/74/99/11/352749911.db2.gz FASIHFMQBQSIIK-VXNVDRBHSA-N 0 0 168.236 1.638 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)C1CCC1 575575257 352749921 /nfs/dbraw/zinc/74/99/21/352749921.db2.gz FASIHFMQBQSIIK-IONNQARKSA-N 0 0 168.236 1.638 10 0 ADAERN Cc1n[nH]cc1-c1nnc(C=O)s1 575575212 352749946 /nfs/dbraw/zinc/74/99/46/352749946.db2.gz DXCQHAIBVRRDFN-UHFFFAOYSA-N 0 0 194.219 1.049 10 0 ADAERN C[C@H]1C[C@]1(C)NCC(F)F 575575231 352749963 /nfs/dbraw/zinc/74/99/63/352749963.db2.gz DXQIWBNZSAQFPI-FSPLSTOPSA-N 0 0 149.184 1.640 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)C1CCC1 575575239 352749970 /nfs/dbraw/zinc/74/99/70/352749970.db2.gz FASIHFMQBQSIIK-CBAPKCEASA-N 0 0 168.236 1.638 10 0 ADAERN O=Cc1nnc(-c2cscn2)s1 575575271 352749989 /nfs/dbraw/zinc/74/99/89/352749989.db2.gz FFTTYKVYWMDMLP-UHFFFAOYSA-N 0 0 197.244 1.474 10 0 ADAERN FC(F)C1(n2cc[nH]c2=S)CC1 575575216 352750194 /nfs/dbraw/zinc/75/01/94/352750194.db2.gz FSFZBBAAYXZEMU-UHFFFAOYSA-N 0 0 190.218 1.926 10 0 ADAERN C[C@@H]1C[C@]1(C)NCC(F)F 575575233 352750202 /nfs/dbraw/zinc/75/02/02/352750202.db2.gz DXQIWBNZSAQFPI-VDTYLAMSSA-N 0 0 149.184 1.640 10 0 ADAERN C[C@@H]1C[C@@]1(C)NCC(F)F 575575232 352750212 /nfs/dbraw/zinc/75/02/12/352750212.db2.gz DXQIWBNZSAQFPI-IYSWYEEDSA-N 0 0 149.184 1.640 10 0 ADAERN C[C@H]1C[C@@]1(C)NCC(F)F 575575229 352750321 /nfs/dbraw/zinc/75/03/21/352750321.db2.gz DXQIWBNZSAQFPI-CAHLUQPWSA-N 0 0 149.184 1.640 10 0 ADAERN CCC(=O)c1cnc2n1CCOC2 575575211 352750482 /nfs/dbraw/zinc/75/04/82/352750482.db2.gz FQRBKTOEJXSDSU-UHFFFAOYSA-N 0 0 180.207 1.006 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)C1CCC1 575575238 352750551 /nfs/dbraw/zinc/75/05/51/352750551.db2.gz FASIHFMQBQSIIK-APPZFPTMSA-N 0 0 168.236 1.638 10 0 ADAERN O=Cc1nnc(-c2ccoc2)s1 575575175 352750555 /nfs/dbraw/zinc/75/05/55/352750555.db2.gz DNYWGPIJIMAREH-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN CSCC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 575575300 352750791 /nfs/dbraw/zinc/75/07/91/352750791.db2.gz GVIJEBQUJLHJNX-JIGDXULJSA-N 0 0 170.277 1.965 10 0 ADAERN O=C1CCC[C@@H]1[C@@H]1CC[C@@H]1O 575575397 352750828 /nfs/dbraw/zinc/75/08/28/352750828.db2.gz ICGQTDAFZNHLES-FJXKBIBVSA-N 0 0 154.209 1.127 10 0 ADAERN O=C1CCC[C@@H]1[C@@H]1CC[C@H]1O 575575395 352750849 /nfs/dbraw/zinc/75/08/49/352750849.db2.gz ICGQTDAFZNHLES-BKPPORCPSA-N 0 0 154.209 1.127 10 0 ADAERN O=C1CCC[C@@H]1[C@H]1CC[C@@H]1O 575575393 352751132 /nfs/dbraw/zinc/75/11/32/352751132.db2.gz ICGQTDAFZNHLES-BHNWBGBOSA-N 0 0 154.209 1.127 10 0 ADAERN O=C1CCC[C@@H]1[C@H]1CC[C@H]1O 575575399 352751184 /nfs/dbraw/zinc/75/11/84/352751184.db2.gz ICGQTDAFZNHLES-ZXFLCMHBSA-N 0 0 154.209 1.127 10 0 ADAERN CCC(=O)C[C@H]1CC[C@H]1O 575575516 352751384 /nfs/dbraw/zinc/75/13/84/352751384.db2.gz KIHXZJHXTVAFMO-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN CC(=O)C[N@@H+]1[C@@H](C)CC[C@H]1C 575575530 352751425 /nfs/dbraw/zinc/75/14/25/352751425.db2.gz ASYBEULKKNBMMW-OCAPTIKFSA-N 0 0 155.241 1.448 10 0 ADAERN Cc1c(-c2ccns2)nn(C)c1N 575575510 352751454 /nfs/dbraw/zinc/75/14/54/352751454.db2.gz AMYQZYRTGUYFQY-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN CCC(=O)C[C@@H]1CC[C@@H]1O 575575519 352751735 /nfs/dbraw/zinc/75/17/35/352751735.db2.gz KIHXZJHXTVAFMO-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN S=C1N=NCN1[C@@]12CCC[C@@H]1C2 575575429 352751758 /nfs/dbraw/zinc/75/17/58/352751758.db2.gz IMHTWUJKGSMBDY-HTRCEHHLSA-N 0 0 181.264 1.466 10 0 ADAERN CCC(=O)C[C@@H]1CC[C@H]1O 575575517 352751762 /nfs/dbraw/zinc/75/17/62/352751762.db2.gz KIHXZJHXTVAFMO-POYBYMJQSA-N 0 0 142.198 1.127 10 0 ADAERN CCC(=O)C[C@H]1CC[C@@H]1O 575575518 352751888 /nfs/dbraw/zinc/75/18/88/352751888.db2.gz KIHXZJHXTVAFMO-SVRRBLITSA-N 0 0 142.198 1.127 10 0 ADAERN S=C1N=NCN1[C@]12CCC[C@H]1C2 575575432 352751923 /nfs/dbraw/zinc/75/19/23/352751923.db2.gz IMHTWUJKGSMBDY-XPUUQOCRSA-N 0 0 181.264 1.466 10 0 ADAERN Cn1nc(CC(C)(C)C)c(F)c1N 575575554 352752244 /nfs/dbraw/zinc/75/22/44/352752244.db2.gz BSROHSZIUJKKIM-UHFFFAOYSA-N 0 0 185.246 1.730 10 0 ADAERN Cc1csc(-c2cc(C=O)[nH]n2)n1 575575625 352752247 /nfs/dbraw/zinc/75/22/47/352752247.db2.gz CLCIOVMSSONGHN-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN C[C@H]1CC([C@@H]2CCCO2)=NNC1=N 575575585 352752296 /nfs/dbraw/zinc/75/22/96/352752296.db2.gz KKXGIKHBNMAUFS-XPUUQOCRSA-N 0 0 181.239 1.128 10 0 ADAERN C[C@@H]1CC([C@@H]2CCCO2)=NNC1=N 575575584 352752346 /nfs/dbraw/zinc/75/23/46/352752346.db2.gz KKXGIKHBNMAUFS-SVRRBLITSA-N 0 0 181.239 1.128 10 0 ADAERN C[C@H]1CC([C@H]2CCCO2)=NNC1=N 575575583 352752438 /nfs/dbraw/zinc/75/24/38/352752438.db2.gz KKXGIKHBNMAUFS-POYBYMJQSA-N 0 0 181.239 1.128 10 0 ADAERN C[C@@H]1CC([C@H]2CCCO2)=NNC1=N 575575577 352752555 /nfs/dbraw/zinc/75/25/55/352752555.db2.gz KKXGIKHBNMAUFS-HTRCEHHLSA-N 0 0 181.239 1.128 10 0 ADAERN COC1CC(c2cc(N)on2)C1 575575606 352752590 /nfs/dbraw/zinc/75/25/90/352752590.db2.gz KORSJDSVUFQXAR-UHFFFAOYSA-N 0 0 168.196 1.149 10 0 ADAERN CCn1cnc([C@@H]2CCCO2)c1N 575575787 352752965 /nfs/dbraw/zinc/75/29/65/352752965.db2.gz NRIIKPJKHNBBCP-ZETCQYMHSA-N 0 0 181.239 1.337 10 0 ADAERN CCC(=O)[C@H](C)[C@@H]1CC[C@H]1O 575575777 352752970 /nfs/dbraw/zinc/75/29/70/352752970.db2.gz NPFURUPSOUDSBX-BKPPORCPSA-N 0 0 156.225 1.373 10 0 ADAERN Cn1nc(-c2ccsc2)c(F)c1N 575575667 352752989 /nfs/dbraw/zinc/75/29/89/352752989.db2.gz CWYQYMSFIRUEBJ-UHFFFAOYSA-N 0 0 197.238 1.870 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1ccns1 575575701 352753002 /nfs/dbraw/zinc/75/30/02/352753002.db2.gz DNDVEOXZJIYDLB-BQBZGAKWSA-N 0 0 197.259 1.608 10 0 ADAERN O=C1CCCC[C@@H]1[C@@H]1CC[C@@H]1O 575575730 352753013 /nfs/dbraw/zinc/75/30/13/352753013.db2.gz MSBXKIKMGMKSRY-WEDXCCLWSA-N 0 0 168.236 1.517 10 0 ADAERN O=C1CCCC[C@@H]1[C@@H]1CC[C@H]1O 575575727 352753052 /nfs/dbraw/zinc/75/30/52/352753052.db2.gz MSBXKIKMGMKSRY-KHQFGBGNSA-N 0 0 168.236 1.517 10 0 ADAERN CCC(=O)[C@H](C)[C@@H]1CC[C@@H]1O 575575781 352753087 /nfs/dbraw/zinc/75/30/87/352753087.db2.gz NPFURUPSOUDSBX-FJXKBIBVSA-N 0 0 156.225 1.373 10 0 ADAERN O=C1CCCC[C@@H]1[C@H]1CC[C@H]1O 575575729 352753092 /nfs/dbraw/zinc/75/30/92/352753092.db2.gz MSBXKIKMGMKSRY-NQMVMOMDSA-N 0 0 168.236 1.517 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1ccns1 575575705 352753130 /nfs/dbraw/zinc/75/31/30/352753130.db2.gz DNDVEOXZJIYDLB-RNFRBKRXSA-N 0 0 197.259 1.608 10 0 ADAERN CCC(=O)[C@H](C)[C@H]1CC[C@@H]1O 575575775 352753168 /nfs/dbraw/zinc/75/31/68/352753168.db2.gz NPFURUPSOUDSBX-BHNWBGBOSA-N 0 0 156.225 1.373 10 0 ADAERN Cn1nc(-c2cccs2)c(F)c1N 575575786 352753231 /nfs/dbraw/zinc/75/32/31/352753231.db2.gz FHRVPEJTGGWJDG-UHFFFAOYSA-N 0 0 197.238 1.870 10 0 ADAERN CCC(=O)[C@H](C)[C@H]1CC[C@H]1O 575575783 352753239 /nfs/dbraw/zinc/75/32/39/352753239.db2.gz NPFURUPSOUDSBX-ZXFLCMHBSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1ccns1 575575706 352753263 /nfs/dbraw/zinc/75/32/63/352753263.db2.gz DNDVEOXZJIYDLB-RQJHMYQMSA-N 0 0 197.259 1.608 10 0 ADAERN CCn1cnc([C@H]2CCCO2)c1N 575575784 352753334 /nfs/dbraw/zinc/75/33/34/352753334.db2.gz NRIIKPJKHNBBCP-SSDOTTSWSA-N 0 0 181.239 1.337 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1ccns1 575575704 352753372 /nfs/dbraw/zinc/75/33/72/352753372.db2.gz DNDVEOXZJIYDLB-NKWVEPMBSA-N 0 0 197.259 1.608 10 0 ADAERN O=C1CCCC[C@@H]1[C@H]1CC[C@@H]1O 575575728 352753380 /nfs/dbraw/zinc/75/33/80/352753380.db2.gz MSBXKIKMGMKSRY-MRTMQBJTSA-N 0 0 168.236 1.517 10 0 ADAERN O=C1COC[C@H]1C[C@H]1CCCOC1 575575908 352753700 /nfs/dbraw/zinc/75/37/00/352753700.db2.gz GJOLCSZNLHROOV-RKDXNWHRSA-N 0 0 184.235 1.019 10 0 ADAERN CC[C@H]1C[C@@H]1c1nn(C)c(N)c1F 575575899 352753704 /nfs/dbraw/zinc/75/37/04/352753704.db2.gz GEWKZMSXTNOQLH-WDSKDSINSA-N 0 0 183.230 1.655 10 0 ADAERN CC[C@@H]1C[C@H]1c1nn(C)c(N)c1F 575575890 352753707 /nfs/dbraw/zinc/75/37/07/352753707.db2.gz GEWKZMSXTNOQLH-PHDIDXHHSA-N 0 0 183.230 1.655 10 0 ADAERN O=C1COC[C@@H]1C[C@H]1CCCOC1 575575902 352753750 /nfs/dbraw/zinc/75/37/50/352753750.db2.gz GJOLCSZNLHROOV-BDAKNGLRSA-N 0 0 184.235 1.019 10 0 ADAERN CC[C@H]1C[C@H]1c1nn(C)c(N)c1F 575575885 352753753 /nfs/dbraw/zinc/75/37/53/352753753.db2.gz GEWKZMSXTNOQLH-NTSWFWBYSA-N 0 0 183.230 1.655 10 0 ADAERN Clc1cncc(N[C@@H]2CNOC2)c1 575575833 352753761 /nfs/dbraw/zinc/75/37/61/352753761.db2.gz NVEGWXVUJFWHSH-MRVPVSSYSA-N 0 0 199.641 1.050 10 0 ADAERN O=C1COC[C@H]1C[C@@H]1CCCOC1 575575906 352753787 /nfs/dbraw/zinc/75/37/87/352753787.db2.gz GJOLCSZNLHROOV-DTWKUNHWSA-N 0 0 184.235 1.019 10 0 ADAERN CC[C@H](C(C)=O)[C@H]1CC[C@H]1O 575575939 352753791 /nfs/dbraw/zinc/75/37/91/352753791.db2.gz OMJCSDXDDNKBSJ-IWSPIJDZSA-N 0 0 156.225 1.373 10 0 ADAERN O=C1COC[C@@H]1C[C@@H]1CCCOC1 575575907 352753834 /nfs/dbraw/zinc/75/38/34/352753834.db2.gz GJOLCSZNLHROOV-IUCAKERBSA-N 0 0 184.235 1.019 10 0 ADAERN Clc1cncc(N[C@H]2CNOC2)c1 575575835 352753999 /nfs/dbraw/zinc/75/39/99/352753999.db2.gz NVEGWXVUJFWHSH-QMMMGPOBSA-N 0 0 199.641 1.050 10 0 ADAERN CC[C@H](C(C)=O)[C@H]1CC[C@@H]1O 575575933 352754009 /nfs/dbraw/zinc/75/40/09/352754009.db2.gz OMJCSDXDDNKBSJ-HLTSFMKQSA-N 0 0 156.225 1.373 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1ccsn1 575575909 352754015 /nfs/dbraw/zinc/75/40/15/352754015.db2.gz GJTWQNWHIKCYHP-BQBZGAKWSA-N 0 0 197.259 1.608 10 0 ADAERN CC[C@@H]1C[C@@H]1c1nn(C)c(N)c1F 575575897 352754040 /nfs/dbraw/zinc/75/40/40/352754040.db2.gz GEWKZMSXTNOQLH-RITPCOANSA-N 0 0 183.230 1.655 10 0 ADAERN CC[C@H](C(C)=O)[C@@H]1CC[C@H]1O 575575936 352754073 /nfs/dbraw/zinc/75/40/73/352754073.db2.gz OMJCSDXDDNKBSJ-HRDYMLBCSA-N 0 0 156.225 1.373 10 0 ADAERN Nc1cc(-c2ccsn2)no1 575575861 352754202 /nfs/dbraw/zinc/75/42/02/352754202.db2.gz FTYDOFLATOGWDA-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN Cn1nc(-c2ccns2)cc1N 575575925 352754220 /nfs/dbraw/zinc/75/42/20/352754220.db2.gz GNFLRRZPLOUIFW-UHFFFAOYSA-N 0 0 180.236 1.126 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1ccsn1 575575916 352754238 /nfs/dbraw/zinc/75/42/38/352754238.db2.gz GJTWQNWHIKCYHP-RQJHMYQMSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1ccsn1 575575914 352754243 /nfs/dbraw/zinc/75/42/43/352754243.db2.gz GJTWQNWHIKCYHP-RNFRBKRXSA-N 0 0 197.259 1.608 10 0 ADAERN CC[C@H](C(C)=O)[C@@H]1CC[C@@H]1O 575575942 352754546 /nfs/dbraw/zinc/75/45/46/352754546.db2.gz OMJCSDXDDNKBSJ-VGMNWLOBSA-N 0 0 156.225 1.373 10 0 ADAERN NNCCc1ccsc1Cl 575576014 352754598 /nfs/dbraw/zinc/75/45/98/352754598.db2.gz PCKPZMDWVKAGOG-UHFFFAOYSA-N 0 0 176.672 1.407 10 0 ADAERN Cc1cn(Cc2cc[nH]n2)cc1C 575576082 352754649 /nfs/dbraw/zinc/75/46/49/352754649.db2.gz CAPZXEQGUNRFCG-UHFFFAOYSA-N 0 0 175.235 1.876 10 0 ADAERN CC(C)[C@H](C)c1nn(C)c(N)c1F 575576105 352754682 /nfs/dbraw/zinc/75/46/82/352754682.db2.gz ISTJPDYWAIAJIB-LURJTMIESA-N 0 0 185.246 1.901 10 0 ADAERN C[C@H]1OCC(=O)[C@H]1C[C@@H]1CCCO1 575576027 352754755 /nfs/dbraw/zinc/75/47/55/352754755.db2.gz INLKHNJXSIFUIB-VGMNWLOBSA-N 0 0 184.235 1.160 10 0 ADAERN CC(C)[C@@H](C)c1nn(C)c(N)c1F 575576106 352754761 /nfs/dbraw/zinc/75/47/61/352754761.db2.gz ISTJPDYWAIAJIB-ZCFIWIBFSA-N 0 0 185.246 1.901 10 0 ADAERN C[C@H]1OCC(=O)[C@H]1C[C@H]1CCCO1 575576024 352754801 /nfs/dbraw/zinc/75/48/01/352754801.db2.gz INLKHNJXSIFUIB-HLTSFMKQSA-N 0 0 184.235 1.160 10 0 ADAERN C[C@H]1OCC(=O)[C@@H]1C[C@@H]1CCCO1 575576025 352754806 /nfs/dbraw/zinc/75/48/06/352754806.db2.gz INLKHNJXSIFUIB-HRDYMLBCSA-N 0 0 184.235 1.160 10 0 ADAERN Cn1nc(CC2(C)CC2)c(F)c1N 575576023 352754845 /nfs/dbraw/zinc/75/48/45/352754845.db2.gz IGQZCVCPKBJGOA-UHFFFAOYSA-N 0 0 183.230 1.484 10 0 ADAERN CO[C@H]1C[C@H](Nc2cc(N)ns2)C1 575575953 352754851 /nfs/dbraw/zinc/75/48/51/352754851.db2.gz HRSITQZRHLNGHP-IZLXSQMJSA-N 0 0 199.279 1.315 10 0 ADAERN CC1N=NC(=S)N1C[C@H]1CC12CC2 575575986 352754880 /nfs/dbraw/zinc/75/48/80/352754880.db2.gz OYEZWADWVUXRCG-SSDOTTSWSA-N 0 0 195.291 1.675 10 0 ADAERN C[C@H]1OCC(=O)[C@@H]1C[C@H]1CCCO1 575576026 352754891 /nfs/dbraw/zinc/75/48/91/352754891.db2.gz INLKHNJXSIFUIB-IWSPIJDZSA-N 0 0 184.235 1.160 10 0 ADAERN CC1N=NC(=S)N1C[C@@H]1CC12CC2 575575994 352754952 /nfs/dbraw/zinc/75/49/52/352754952.db2.gz OYEZWADWVUXRCG-ZETCQYMHSA-N 0 0 195.291 1.675 10 0 ADAERN Cc1c(-c2ccns2)noc1N 575576012 352754953 /nfs/dbraw/zinc/75/49/53/352754953.db2.gz IEYFYGVKRSKEOH-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN C[C@H]1COC[C@H]1c1ncc(C=O)o1 575576240 352755284 /nfs/dbraw/zinc/75/52/84/352755284.db2.gz JEINFLLKXVMGNP-POYBYMJQSA-N 0 0 181.191 1.237 10 0 ADAERN CC[C@@H]1COC[C@@]1([NH3+])c1ccsn1 575576182 352755292 /nfs/dbraw/zinc/75/52/92/352755292.db2.gz LFPBEQCJHGNHIQ-APPZFPTMSA-N 0 0 198.291 1.354 10 0 ADAERN Cc1c(-c2cccnn2)noc1N 575576178 352755325 /nfs/dbraw/zinc/75/53/25/352755325.db2.gz IVNUYVFPUCPCJX-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN C[C@H]1c2ccccc2C[C@H]1NN 575576263 352755337 /nfs/dbraw/zinc/75/53/37/352755337.db2.gz QZMJPXSWMLBCSL-OIBJUYFYSA-N 0 0 162.236 1.178 10 0 ADAERN NNCc1ccc2ccncc2c1 575576259 352755368 /nfs/dbraw/zinc/75/53/68/352755368.db2.gz QSLGECGPPVLHRO-UHFFFAOYSA-N 0 0 173.219 1.198 10 0 ADAERN C[C@H]1COC[C@@H]1c1ncc(C=O)o1 575576265 352755376 /nfs/dbraw/zinc/75/53/76/352755376.db2.gz JEINFLLKXVMGNP-XPUUQOCRSA-N 0 0 181.191 1.237 10 0 ADAERN CC[C@H]1COC[C@@]1([NH3+])c1ccsn1 575576183 352755397 /nfs/dbraw/zinc/75/53/97/352755397.db2.gz LFPBEQCJHGNHIQ-CBAPKCEASA-N 0 0 198.291 1.354 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1cscn1 575576223 352755521 /nfs/dbraw/zinc/75/55/21/352755521.db2.gz JDOQMJWMKIKUGE-BQBZGAKWSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1cscn1 575576232 352755529 /nfs/dbraw/zinc/75/55/29/352755529.db2.gz JDOQMJWMKIKUGE-RQJHMYQMSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1cscn1 575576228 352755599 /nfs/dbraw/zinc/75/55/99/352755599.db2.gz JDOQMJWMKIKUGE-RNFRBKRXSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@H]1c2ccccc2C[C@H]1NN 575576262 352755684 /nfs/dbraw/zinc/75/56/84/352755684.db2.gz QZMJPXSWMLBCSL-GMSGAONNSA-N 0 0 162.236 1.178 10 0 ADAERN O=C1N=NC([C@@H]2C[C@@H]3C[C@@H]3C2)O1 575576256 352755690 /nfs/dbraw/zinc/75/56/90/352755690.db2.gz JBURPQKSYUWHQP-FMCRUOTFSA-N 0 0 166.180 1.289 10 0 ADAERN C[C@@H]1COC[C@@H]1c1ncc(C=O)o1 575576255 352755727 /nfs/dbraw/zinc/75/57/27/352755727.db2.gz JEINFLLKXVMGNP-SVRRBLITSA-N 0 0 181.191 1.237 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1cscn1 575576225 352755754 /nfs/dbraw/zinc/75/57/54/352755754.db2.gz JDOQMJWMKIKUGE-NKWVEPMBSA-N 0 0 197.259 1.608 10 0 ADAERN O=Cc1nnc([C@@H]2CC23CC3)s1 575576351 352755961 /nfs/dbraw/zinc/75/59/61/352755961.db2.gz LZQFWIUHKHAHBY-YFKPBYRVSA-N 0 0 180.232 1.618 10 0 ADAERN O=Cc1nnc([C@H]2CC23CC3)s1 575576346 352756350 /nfs/dbraw/zinc/75/63/50/352756350.db2.gz LZQFWIUHKHAHBY-RXMQYKEDSA-N 0 0 180.232 1.618 10 0 ADAERN Cc1cn(C/C=C/Cl)c(=O)[nH]1 575576348 352756203 /nfs/dbraw/zinc/75/62/03/352756203.db2.gz OFGQHWHOSCUVSX-NSCUHMNNSA-N 0 0 172.615 1.650 10 0 ADAERN c1nnsc1NC[C@@H]1CCCCO1 575576337 352756225 /nfs/dbraw/zinc/75/62/25/352756225.db2.gz RKOLGQWVKUMREC-ZETCQYMHSA-N 0 0 199.279 1.519 10 0 ADAERN FC1CCN(c2ncc[nH]2)CC1 575576334 352756246 /nfs/dbraw/zinc/75/62/46/352756246.db2.gz NGLHTQJTWHQDEW-UHFFFAOYSA-N 0 0 169.203 1.348 10 0 ADAERN Cc1cc(-c2nc(Cl)n[nH]2)ccn1 575576324 352756264 /nfs/dbraw/zinc/75/62/64/352756264.db2.gz KNLSPBRTTWPSGR-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN Cc1nc([C@@H](O)C2CC2)[nH]c1C 575576364 352756271 /nfs/dbraw/zinc/75/62/71/352756271.db2.gz OIULPCFZRMJJQW-QMMMGPOBSA-N 0 0 166.224 1.470 10 0 ADAERN c1nnsc1NC[C@H]1CCCCO1 575576333 352756304 /nfs/dbraw/zinc/75/63/04/352756304.db2.gz RKOLGQWVKUMREC-SSDOTTSWSA-N 0 0 199.279 1.519 10 0 ADAERN COCC(=O)C1CC(C)(C)C1 575576322 352756334 /nfs/dbraw/zinc/75/63/34/352756334.db2.gz LSXRGKORFBOMFE-UHFFFAOYSA-N 0 0 156.225 1.638 10 0 ADAERN C[C@@H]1c2ccccc2C[C@@H]1NN 575576266 352756394 /nfs/dbraw/zinc/75/63/94/352756394.db2.gz QZMJPXSWMLBCSL-XCBNKYQSSA-N 0 0 162.236 1.178 10 0 ADAERN Cc1nc([C@H](O)C2CC2)[nH]c1C 575576359 352756410 /nfs/dbraw/zinc/75/64/10/352756410.db2.gz OIULPCFZRMJJQW-MRVPVSSYSA-N 0 0 166.224 1.470 10 0 ADAERN C[C@H]1c2ccccc2C[C@@H]1NN 575576269 352756437 /nfs/dbraw/zinc/75/64/37/352756437.db2.gz QZMJPXSWMLBCSL-XVKPBYJWSA-N 0 0 162.236 1.178 10 0 ADAERN O=C1N=NC([C@]23CCCC[C@H]2C3)O1 575576453 352756618 /nfs/dbraw/zinc/75/66/18/352756618.db2.gz UZTTWDLOTXEXMZ-RCOVLWMOSA-N 0 0 180.207 1.607 10 0 ADAERN O=C1N=NC([C@@H]2CCC[C@H]3C[C@H]32)O1 575576447 352756640 /nfs/dbraw/zinc/75/66/40/352756640.db2.gz UFFDAYYHIUOXFK-RRKCRQDMSA-N 0 0 180.207 1.679 10 0 ADAERN O=c1[nH]cncc1-c1cncs1 575576469 352756695 /nfs/dbraw/zinc/75/66/95/352756695.db2.gz WOHSLVLYCGKXLX-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN O=C1N=NC([C@@]23CCCC[C@@H]2C3)O1 575576450 352756647 /nfs/dbraw/zinc/75/66/47/352756647.db2.gz UZTTWDLOTXEXMZ-HZGVNTEJSA-N 0 0 180.207 1.607 10 0 ADAERN Cc1ccc([C@H](O)C(F)(F)F)[nH]1 575576472 352756658 /nfs/dbraw/zinc/75/66/58/352756658.db2.gz ATWKCAUZSHCITO-LURJTMIESA-N 0 0 179.141 1.919 10 0 ADAERN Cc1ccc(-c2nnc(C=O)s2)o1 575576544 352756781 /nfs/dbraw/zinc/75/67/81/352756781.db2.gz MNMWANIQYLYXEC-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN C[C@H]1CC(=N)NN=C1[C@H]1CCCO1 575576537 352756786 /nfs/dbraw/zinc/75/67/86/352756786.db2.gz TUTYXCNOQISGCA-NKWVEPMBSA-N 0 0 181.239 1.128 10 0 ADAERN Cc1ccc([C@@H](O)C(F)(F)F)[nH]1 575576476 352756799 /nfs/dbraw/zinc/75/67/99/352756799.db2.gz ATWKCAUZSHCITO-ZCFIWIBFSA-N 0 0 179.141 1.919 10 0 ADAERN C[C@@H]1CC(=N)NN=C1[C@H]1CCCO1 575576539 352756819 /nfs/dbraw/zinc/75/68/19/352756819.db2.gz TUTYXCNOQISGCA-RNFRBKRXSA-N 0 0 181.239 1.128 10 0 ADAERN O=C1N=NC([C@@H]2CCC[C@@H]3C[C@@H]32)O1 575576446 352756849 /nfs/dbraw/zinc/75/68/49/352756849.db2.gz UFFDAYYHIUOXFK-QYNIQEEDSA-N 0 0 180.207 1.679 10 0 ADAERN Cc1cc(F)nc(-c2ncc[nH]2)n1 575576479 352756867 /nfs/dbraw/zinc/75/68/67/352756867.db2.gz XIURPNWYTFULTL-UHFFFAOYSA-N 0 0 178.170 1.314 10 0 ADAERN O=c1[nH]ccnc1[C@H]1C[C@@H]2C[C@@H]2C1 575576519 352756910 /nfs/dbraw/zinc/75/69/10/352756910.db2.gz ZQBBKSLAQIZPOL-RNLVFQAGSA-N 0 0 176.219 1.283 10 0 ADAERN C[C@H]1CC(=N)NN=C1[C@@H]1CCCO1 575576534 352757011 /nfs/dbraw/zinc/75/70/11/352757011.db2.gz TUTYXCNOQISGCA-BQBZGAKWSA-N 0 0 181.239 1.128 10 0 ADAERN O=c1cc(O)nc([C@@H]2CC23CC3)[nH]1 575576455 352757029 /nfs/dbraw/zinc/75/70/29/352757029.db2.gz VIAPLBSXSGDWMY-YFKPBYRVSA-N 0 0 178.191 1.155 10 0 ADAERN CCc1n[nH]c(=S)c(C)c1C 575576485 352757055 /nfs/dbraw/zinc/75/70/55/352757055.db2.gz CULHEVNHYXEOIL-UHFFFAOYSA-N 0 0 168.265 1.945 10 0 ADAERN O=c1cc(O)nc([C@H]2CC23CC3)[nH]1 575576454 352757061 /nfs/dbraw/zinc/75/70/61/352757061.db2.gz VIAPLBSXSGDWMY-RXMQYKEDSA-N 0 0 178.191 1.155 10 0 ADAERN Cc1c(-c2ccsn2)noc1N 575576682 352757384 /nfs/dbraw/zinc/75/73/84/352757384.db2.gz LTGRKSLYBCPJPX-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ncccn1 575576572 352757479 /nfs/dbraw/zinc/75/74/79/352757479.db2.gz UAIANXYUEVFCIC-VXNVDRBHSA-N 0 0 163.224 1.687 10 0 ADAERN CC1(C)C[C@H]1CNc1cn[nH]c1 575576680 352757660 /nfs/dbraw/zinc/75/76/60/352757660.db2.gz LPWUOZJCPXPJKW-ZETCQYMHSA-N 0 0 165.240 1.868 10 0 ADAERN CC1(C)C[C@@H]1CNc1cn[nH]c1 575576676 352757584 /nfs/dbraw/zinc/75/75/84/352757584.db2.gz LPWUOZJCPXPJKW-SSDOTTSWSA-N 0 0 165.240 1.868 10 0 ADAERN CCc1n[nH]c(=O)c(C)c1C 575576637 352757589 /nfs/dbraw/zinc/75/75/89/352757589.db2.gz MDHRPDYXJPJBJW-UHFFFAOYSA-N 0 0 152.197 1.361 10 0 ADAERN Cn1nc([C@H]2CC2(C)C)c(F)c1N 575576635 352757593 /nfs/dbraw/zinc/75/75/93/352757593.db2.gz LGCQTYNLGNMPOZ-RXMQYKEDSA-N 0 0 183.230 1.655 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ncccn1 575576570 352757673 /nfs/dbraw/zinc/75/76/73/352757673.db2.gz UAIANXYUEVFCIC-IONNQARKSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ncccn1 575576566 352757692 /nfs/dbraw/zinc/75/76/92/352757692.db2.gz UAIANXYUEVFCIC-APPZFPTMSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ncccn1 575576569 352757748 /nfs/dbraw/zinc/75/77/48/352757748.db2.gz UAIANXYUEVFCIC-CBAPKCEASA-N 0 0 163.224 1.687 10 0 ADAERN CC1(C)CC(c2nnc(CN)o2)C1 575576626 352757770 /nfs/dbraw/zinc/75/77/70/352757770.db2.gz NELRGKDHNPLYKI-UHFFFAOYSA-N 0 0 181.239 1.432 10 0 ADAERN Cn1nc([C@@H]2CC2(C)C)c(F)c1N 575576636 352757780 /nfs/dbraw/zinc/75/77/80/352757780.db2.gz LGCQTYNLGNMPOZ-YFKPBYRVSA-N 0 0 183.230 1.655 10 0 ADAERN Cc1csc(-c2nn(C)cc2N)n1 575576715 352758321 /nfs/dbraw/zinc/75/83/21/352758321.db2.gz MJUDIOJYFQHFOI-UHFFFAOYSA-N 0 0 194.263 1.434 10 0 ADAERN Cc1nc(C2(C(C)C)CC2)n[nH]1 575576787 352758229 /nfs/dbraw/zinc/75/82/29/352758229.db2.gz OZARRAQEOGWCHA-UHFFFAOYSA-N 0 0 165.240 1.801 10 0 ADAERN S=c1[nH]ccn1C1CSC1 575576841 352758267 /nfs/dbraw/zinc/75/82/67/352758267.db2.gz VWSOYNBWKLYBAO-UHFFFAOYSA-N 0 0 172.278 1.460 10 0 ADAERN C[C@H](CF)Nc1ccc(N)cn1 575576851 352758271 /nfs/dbraw/zinc/75/82/71/352758271.db2.gz AJPXKUCQBAZQFV-ZCFIWIBFSA-N 0 0 169.203 1.434 10 0 ADAERN Cc1sccc1[C@@H]1NNC(=O)[C@@H]1C 575576726 352758281 /nfs/dbraw/zinc/75/82/81/352758281.db2.gz OIOXWHKSXATRPK-SVGQVSJJSA-N 0 0 196.275 1.368 10 0 ADAERN Cc1c[nH]c([C@H](O)C2CC2)n1 575576857 352758303 /nfs/dbraw/zinc/75/83/03/352758303.db2.gz RLTIVGBWNYJBEQ-SSDOTTSWSA-N 0 0 152.197 1.162 10 0 ADAERN Cc1nc([C@@]2(C)CC(=O)N2)sc1C 575576806 352758330 /nfs/dbraw/zinc/75/83/30/352758330.db2.gz QNKIPRUGYGTUIO-SECBINFHSA-N 0 0 196.275 1.495 10 0 ADAERN O=C1N[C@@H](c2cncc(Cl)c2)CO1 575576757 352758351 /nfs/dbraw/zinc/75/83/51/352758351.db2.gz APSNQYICCAOKNC-SSDOTTSWSA-N 0 0 198.609 1.516 10 0 ADAERN S=c1[nH]ccn1CC1CSC1 575576739 352758375 /nfs/dbraw/zinc/75/83/75/352758375.db2.gz VGAFHRCXSNXSBL-UHFFFAOYSA-N 0 0 186.305 1.535 10 0 ADAERN Oc1ccc2ncnc(F)c2c1 575576789 352758386 /nfs/dbraw/zinc/75/83/86/352758386.db2.gz BDKCAUWNZSPUCS-UHFFFAOYSA-N 0 0 164.139 1.475 10 0 ADAERN Cc1sccc1[C@H]1NNC(=O)[C@@H]1C 575576728 352758419 /nfs/dbraw/zinc/75/84/19/352758419.db2.gz OIOXWHKSXATRPK-XRGYYRRGSA-N 0 0 196.275 1.368 10 0 ADAERN C[C@@H](CF)Nc1ccc(N)cn1 575576849 352758421 /nfs/dbraw/zinc/75/84/21/352758421.db2.gz AJPXKUCQBAZQFV-LURJTMIESA-N 0 0 169.203 1.434 10 0 ADAERN Cc1sccc1[C@@H]1NNC(=O)[C@H]1C 575576731 352758441 /nfs/dbraw/zinc/75/84/41/352758441.db2.gz OIOXWHKSXATRPK-YLWLKBPMSA-N 0 0 196.275 1.368 10 0 ADAERN Cc1sccc1[C@H]1NNC(=O)[C@H]1C 575576727 352758512 /nfs/dbraw/zinc/75/85/12/352758512.db2.gz OIOXWHKSXATRPK-XNCJUZBTSA-N 0 0 196.275 1.368 10 0 ADAERN Cc1nc([C@]2(C)CC(=O)N2)sc1C 575576822 352758518 /nfs/dbraw/zinc/75/85/18/352758518.db2.gz QNKIPRUGYGTUIO-VIFPVBQESA-N 0 0 196.275 1.495 10 0 ADAERN O=C1N[C@H](c2cncc(Cl)c2)CO1 575576764 352758567 /nfs/dbraw/zinc/75/85/67/352758567.db2.gz APSNQYICCAOKNC-ZETCQYMHSA-N 0 0 198.609 1.516 10 0 ADAERN Cc1sccc1[C@@H]1CC(=O)NN1 575576903 352758998 /nfs/dbraw/zinc/75/89/98/352758998.db2.gz RTSFHQGXMTUXOI-ZETCQYMHSA-N 0 0 182.248 1.122 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1cnsc1 575576964 352759034 /nfs/dbraw/zinc/75/90/34/352759034.db2.gz NFBJUBITNAWGRJ-XPUUQOCRSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1cnsc1 575576959 352759043 /nfs/dbraw/zinc/75/90/43/352759043.db2.gz NFBJUBITNAWGRJ-HTRCEHHLSA-N 0 0 197.259 1.608 10 0 ADAERN Cc1c[nH]c([C@@H](O)C2CC2)n1 575576866 352759120 /nfs/dbraw/zinc/75/91/20/352759120.db2.gz RLTIVGBWNYJBEQ-ZETCQYMHSA-N 0 0 152.197 1.162 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1cnsc1 575576961 352759198 /nfs/dbraw/zinc/75/91/98/352759198.db2.gz NFBJUBITNAWGRJ-POYBYMJQSA-N 0 0 197.259 1.608 10 0 ADAERN Cc1sccc1[C@H]1CC(=O)NN1 575576898 352759224 /nfs/dbraw/zinc/75/92/24/352759224.db2.gz RTSFHQGXMTUXOI-SSDOTTSWSA-N 0 0 182.248 1.122 10 0 ADAERN Cc1cnc(C2=NC(=O)CS2)cn1 575577030 352759266 /nfs/dbraw/zinc/75/92/66/352759266.db2.gz BRTDZVKYRFGQHK-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1cnsc1 575576962 352759276 /nfs/dbraw/zinc/75/92/76/352759276.db2.gz NFBJUBITNAWGRJ-SVRRBLITSA-N 0 0 197.259 1.608 10 0 ADAERN C/C=C/[C@@H](NN)c1ccsc1 575577071 352759567 /nfs/dbraw/zinc/75/95/67/352759567.db2.gz DOEKAQMGGSQYDB-UFUPEUMYSA-N 0 0 168.265 1.829 10 0 ADAERN CNc1cncc(NC2CSC2)n1 575577128 352759578 /nfs/dbraw/zinc/75/95/78/352759578.db2.gz CBDDBRRCBFPLEV-UHFFFAOYSA-N 0 0 196.279 1.046 10 0 ADAERN O=c1cc2c(n[nH]1)CCC1(CC1)C2 575577132 352759641 /nfs/dbraw/zinc/75/96/41/352759641.db2.gz GGOOJENXXQXVLI-UHFFFAOYSA-N 0 0 176.219 1.451 10 0 ADAERN O=c1ncn(-c2ncccc2Cl)[n-]1 575577157 352759763 /nfs/dbraw/zinc/75/97/63/352759763.db2.gz GRIKCOVWQMPUHU-UHFFFAOYSA-N 0 0 196.597 1.021 10 0 ADAERN C[C@@H]1CCC(=O)[C@H]([C@H]2CC[C@@H]2O)C1 575577209 352759830 /nfs/dbraw/zinc/75/98/30/352759830.db2.gz JPSMAUWBXIANJG-IMSYWVGJSA-N 0 0 182.263 1.763 10 0 ADAERN Cc1nc(C(=O)C(F)F)cn1C 575577182 352759835 /nfs/dbraw/zinc/75/98/35/352759835.db2.gz FQGLNDYCTDYAOC-UHFFFAOYSA-N 0 0 174.150 1.176 10 0 ADAERN C[C@H](Cc1ccsc1Cl)NN 575577142 352759859 /nfs/dbraw/zinc/75/98/59/352759859.db2.gz GGZHPVQUUDPGFU-RXMQYKEDSA-N 0 0 190.699 1.796 10 0 ADAERN C/C=C/[C@H](NN)c1ccsc1 575577068 352759883 /nfs/dbraw/zinc/75/98/83/352759883.db2.gz DOEKAQMGGSQYDB-SGJFDWMWSA-N 0 0 168.265 1.829 10 0 ADAERN CC1CC(CN2C(=S)N=NC2C)C1 575577080 352759890 /nfs/dbraw/zinc/75/98/90/352759890.db2.gz DUEOPUGIMUVMKA-UHFFFAOYSA-N 0 0 197.307 1.921 10 0 ADAERN Cc1nnc(-c2ccsn2)[nH]1 575577043 352759895 /nfs/dbraw/zinc/75/98/95/352759895.db2.gz CHQRIFLCQIFLCD-UHFFFAOYSA-N 0 0 166.209 1.237 10 0 ADAERN CCc1cnc[nH]c1=S 575577162 352759929 /nfs/dbraw/zinc/75/99/29/352759929.db2.gz XYKFRJHBRVASQZ-UHFFFAOYSA-N 0 0 140.211 1.328 10 0 ADAERN C[C@@H](Cc1ccsc1Cl)NN 575577155 352760054 /nfs/dbraw/zinc/76/00/54/352760054.db2.gz GGZHPVQUUDPGFU-YFKPBYRVSA-N 0 0 190.699 1.796 10 0 ADAERN C[C@@H]1CCC(=O)[C@H]([C@H]2CC[C@H]2O)C1 575577208 352760131 /nfs/dbraw/zinc/76/01/31/352760131.db2.gz JPSMAUWBXIANJG-DOLQZWNJSA-N 0 0 182.263 1.763 10 0 ADAERN Cc1nc(C(=O)C2CCC2)cn1C 575577078 352760159 /nfs/dbraw/zinc/76/01/59/352760159.db2.gz DOBXFEOLCZCYLS-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN CSCC(=O)[C@]1(C)C[C@H]1C 575577315 352760557 /nfs/dbraw/zinc/76/05/57/352760557.db2.gz PSZBZGKHZZBBKO-HTRCEHHLSA-N 0 0 158.266 1.965 10 0 ADAERN CC(=O)c1ccsc1NC#N 575577243 352760731 /nfs/dbraw/zinc/76/07/31/352760731.db2.gz OVPMDCNMZUNSRY-UHFFFAOYSA-N 0 0 166.205 1.844 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)C(C)(C)C 575577234 352760488 /nfs/dbraw/zinc/76/04/88/352760488.db2.gz OUGBASPSRACOAF-YUMQZZPRSA-N 0 0 170.252 1.884 10 0 ADAERN O=Cc1nnc(C(F)F)s1 575577293 352760491 /nfs/dbraw/zinc/76/04/91/352760491.db2.gz PNTXCJGZNNKYIX-UHFFFAOYSA-N 0 0 164.136 1.288 10 0 ADAERN O=C1CSC(c2ccc[nH]c2=O)=N1 575577221 352760510 /nfs/dbraw/zinc/76/05/10/352760510.db2.gz KSWHOCPJMVCRJT-UHFFFAOYSA-N 0 0 194.215 1.616 10 0 ADAERN C[C@@H]1CCC(=O)[C@H]([C@@H]2CC[C@H]2O)C1 575577211 352760587 /nfs/dbraw/zinc/76/05/87/352760587.db2.gz JPSMAUWBXIANJG-XFWSIPNHSA-N 0 0 182.263 1.763 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)C(C)(C)C 575577232 352760598 /nfs/dbraw/zinc/76/05/98/352760598.db2.gz OUGBASPSRACOAF-JGVFFNPUSA-N 0 0 170.252 1.884 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)C(C)(C)C 575577231 352760619 /nfs/dbraw/zinc/76/06/19/352760619.db2.gz OUGBASPSRACOAF-HTQZYQBOSA-N 0 0 170.252 1.884 10 0 ADAERN Cc1ncc(-c2cc[nH]c(=O)n2)s1 575577220 352760663 /nfs/dbraw/zinc/76/06/63/352760663.db2.gz KJHZTKNQFSWMFY-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CSCC(=O)[C@@]1(C)C[C@H]1C 575577317 352760682 /nfs/dbraw/zinc/76/06/82/352760682.db2.gz PSZBZGKHZZBBKO-SVRRBLITSA-N 0 0 158.266 1.965 10 0 ADAERN CSCC(=O)[C@@]1(C)C[C@@H]1C 575577318 352760728 /nfs/dbraw/zinc/76/07/28/352760728.db2.gz PSZBZGKHZZBBKO-XPUUQOCRSA-N 0 0 158.266 1.965 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)C(C)(C)C 575577233 352760770 /nfs/dbraw/zinc/76/07/70/352760770.db2.gz OUGBASPSRACOAF-SFYZADRCSA-N 0 0 170.252 1.884 10 0 ADAERN CSCC(=O)[C@]1(C)C[C@@H]1C 575577316 352760782 /nfs/dbraw/zinc/76/07/82/352760782.db2.gz PSZBZGKHZZBBKO-POYBYMJQSA-N 0 0 158.266 1.965 10 0 ADAERN Cc1nc([C@@]2(C)C[C@H]2C)n[nH]1 575588627 352819624 /nfs/dbraw/zinc/81/96/24/352819624.db2.gz ZZIFGNLXQRIEJB-XRGYYRRGSA-N 0 0 151.213 1.411 10 0 ADAERN O=C1CC[C@@H](C(=O)[C@H]2CCCO2)C1 575577390 352761280 /nfs/dbraw/zinc/76/12/80/352761280.db2.gz XFOALAWQCIMWMQ-VXNVDRBHSA-N 0 0 182.219 1.104 10 0 ADAERN O=C1CC[C@@H](C(=O)[C@@H]2CCCO2)C1 575577387 352761403 /nfs/dbraw/zinc/76/14/03/352761403.db2.gz XFOALAWQCIMWMQ-APPZFPTMSA-N 0 0 182.219 1.104 10 0 ADAERN O=C1CC[C@H](C(=O)[C@H]2CCCO2)C1 575577389 352761412 /nfs/dbraw/zinc/76/14/12/352761412.db2.gz XFOALAWQCIMWMQ-IONNQARKSA-N 0 0 182.219 1.104 10 0 ADAERN CNc1nccnc1[C@@H]1CCCO1 575577354 352761446 /nfs/dbraw/zinc/76/14/46/352761446.db2.gz WPABKBNTBDUROS-ZETCQYMHSA-N 0 0 179.223 1.370 10 0 ADAERN CNc1nccnc1[C@H]1CCCO1 575577353 352761481 /nfs/dbraw/zinc/76/14/81/352761481.db2.gz WPABKBNTBDUROS-SSDOTTSWSA-N 0 0 179.223 1.370 10 0 ADAERN O=C1CC[C@H](C(=O)[C@@H]2CCCO2)C1 575577388 352761483 /nfs/dbraw/zinc/76/14/83/352761483.db2.gz XFOALAWQCIMWMQ-CBAPKCEASA-N 0 0 182.219 1.104 10 0 ADAERN CC1CC(c2nn(C)c(N)c2F)C1 575577397 352761521 /nfs/dbraw/zinc/76/15/21/352761521.db2.gz OPVSCSIRJTYZOR-UHFFFAOYSA-N 0 0 183.230 1.655 10 0 ADAERN Cn1cnnc1C1CCC(=O)CC1 575577381 352761548 /nfs/dbraw/zinc/76/15/48/352761548.db2.gz OPIPJYXJGGJKJF-UHFFFAOYSA-N 0 0 179.223 1.042 10 0 ADAERN Cc1nc(C(=O)C(F)(F)F)cn1C 575577587 352761880 /nfs/dbraw/zinc/76/18/80/352761880.db2.gz IEJMCDQZSNUFGK-UHFFFAOYSA-N 0 0 192.140 1.474 10 0 ADAERN Cn1nc([C@H]2CC23CC3)c(F)c1N 575577498 352761962 /nfs/dbraw/zinc/76/19/62/352761962.db2.gz PLGRNTOSTCXBPE-RXMQYKEDSA-N 0 0 181.214 1.409 10 0 ADAERN CC1N=NC(=S)N1CC(C)(F)F 575577494 352762048 /nfs/dbraw/zinc/76/20/48/352762048.db2.gz ZGDDCQODYJQWNP-UHFFFAOYSA-N 0 0 193.222 1.530 10 0 ADAERN CCC(C)(C)c1nn(C)c(N)c1F 575577582 352762162 /nfs/dbraw/zinc/76/21/62/352762162.db2.gz QDCNQRLQNTVPFE-UHFFFAOYSA-N 0 0 185.246 1.829 10 0 ADAERN Cn1nc([C@@H]2CC23CC3)c(F)c1N 575577500 352762245 /nfs/dbraw/zinc/76/22/45/352762245.db2.gz PLGRNTOSTCXBPE-YFKPBYRVSA-N 0 0 181.214 1.409 10 0 ADAERN Cc1nc(C(=O)C=O)sc1C 575577584 352762312 /nfs/dbraw/zinc/76/23/12/352762312.db2.gz QDDWCFQDAIJWRD-UHFFFAOYSA-N 0 0 169.205 1.142 10 0 ADAERN CCn1nncc1N[C@@]1(C)C[C@@H]1C 575577630 352762671 /nfs/dbraw/zinc/76/26/71/352762671.db2.gz DIUXHZIOKPMUDQ-CBAPKCEASA-N 0 0 180.255 1.508 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cc(=O)[nH]cn1 575577735 352762691 /nfs/dbraw/zinc/76/26/91/352762691.db2.gz FCZKADYZCGEHDM-IMTBSYHQSA-N 0 0 179.223 1.393 10 0 ADAERN Cc1cc([C@H]2NNC(=O)[C@@H]2C)cs1 575577633 352762703 /nfs/dbraw/zinc/76/27/03/352762703.db2.gz IWIDHRZSBSWDTC-SVRRBLITSA-N 0 0 196.275 1.368 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cc(=O)[nH]cn1 575577736 352762729 /nfs/dbraw/zinc/76/27/29/352762729.db2.gz FCZKADYZCGEHDM-MUWHJKNJSA-N 0 0 179.223 1.393 10 0 ADAERN Cc1ncsc1C1N=NC(=O)S1 575577798 352764020 /nfs/dbraw/zinc/76/40/20/352764020.db2.gz NMSRUMNTEUUNNO-UHFFFAOYSA-N 0 0 199.260 1.676 10 0 ADAERN CCn1ncc([C@H]2NCCS2)c1C 575577672 352762789 /nfs/dbraw/zinc/76/27/89/352762789.db2.gz QFSSGFLUXHTMMI-VIFPVBQESA-N 0 0 197.307 1.546 10 0 ADAERN Cc1cc([C@@H]2NNC(=O)[C@H]2C)cs1 575577631 352762865 /nfs/dbraw/zinc/76/28/65/352762865.db2.gz IWIDHRZSBSWDTC-POYBYMJQSA-N 0 0 196.275 1.368 10 0 ADAERN CCn1nncc1N[C@]1(C)C[C@H]1C 575577644 352762877 /nfs/dbraw/zinc/76/28/77/352762877.db2.gz DIUXHZIOKPMUDQ-VXNVDRBHSA-N 0 0 180.255 1.508 10 0 ADAERN CCn1nncc1N[C@@]1(C)C[C@H]1C 575577626 352762883 /nfs/dbraw/zinc/76/28/83/352762883.db2.gz DIUXHZIOKPMUDQ-APPZFPTMSA-N 0 0 180.255 1.508 10 0 ADAERN Cc1nc(C(=O)[C@@H]2C[C@@H]2C)cn1C 575577697 352762888 /nfs/dbraw/zinc/76/28/88/352762888.db2.gz JNGCXRQSDBKCEN-POYBYMJQSA-N 0 0 178.235 1.567 10 0 ADAERN CCn1nncc1N[C@]1(C)C[C@@H]1C 575577643 352762931 /nfs/dbraw/zinc/76/29/31/352762931.db2.gz DIUXHZIOKPMUDQ-IONNQARKSA-N 0 0 180.255 1.508 10 0 ADAERN Cc1nc(C(=O)[C@H]2C[C@H]2C)cn1C 575577701 352762947 /nfs/dbraw/zinc/76/29/47/352762947.db2.gz JNGCXRQSDBKCEN-SVRRBLITSA-N 0 0 178.235 1.567 10 0 ADAERN C[C@H](c1nn(C)c(N)c1F)C1CC1 575577661 352762952 /nfs/dbraw/zinc/76/29/52/352762952.db2.gz QSIGVSNXFQLPNN-YFKPBYRVSA-N 0 0 183.230 1.655 10 0 ADAERN C[C@@H](c1nn(C)c(N)c1F)C1CC1 575577656 352762990 /nfs/dbraw/zinc/76/29/90/352762990.db2.gz QSIGVSNXFQLPNN-RXMQYKEDSA-N 0 0 183.230 1.655 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cc(=O)[nH]cn1 575577741 352763000 /nfs/dbraw/zinc/76/30/00/352763000.db2.gz FCZKADYZCGEHDM-RCOVLWMOSA-N 0 0 179.223 1.393 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cc(=O)[nH]cn1 575577731 352763049 /nfs/dbraw/zinc/76/30/49/352763049.db2.gz FCZKADYZCGEHDM-HZGVNTEJSA-N 0 0 179.223 1.393 10 0 ADAERN Cc1nc(C(=O)[C@H]2C[C@@H]2C)cn1C 575577703 352763116 /nfs/dbraw/zinc/76/31/16/352763116.db2.gz JNGCXRQSDBKCEN-XPUUQOCRSA-N 0 0 178.235 1.567 10 0 ADAERN Cc1cc([C@@H]2NNC(=O)[C@@H]2C)cs1 575577627 352763167 /nfs/dbraw/zinc/76/31/67/352763167.db2.gz IWIDHRZSBSWDTC-HTRCEHHLSA-N 0 0 196.275 1.368 10 0 ADAERN CCn1ncc([C@@H]2NCCS2)c1C 575577667 352763203 /nfs/dbraw/zinc/76/32/03/352763203.db2.gz QFSSGFLUXHTMMI-SECBINFHSA-N 0 0 197.307 1.546 10 0 ADAERN Cc1nc(C(=O)[C@@H]2C[C@H]2C)cn1C 575577689 352763213 /nfs/dbraw/zinc/76/32/13/352763213.db2.gz JNGCXRQSDBKCEN-HTRCEHHLSA-N 0 0 178.235 1.567 10 0 ADAERN CCC1(c2nn(C)c(N)c2F)CC1 575577648 352763227 /nfs/dbraw/zinc/76/32/27/352763227.db2.gz QJJPIVGDQXKKPK-UHFFFAOYSA-N 0 0 183.230 1.583 10 0 ADAERN Cc1nc(C(=O)C2CC2)cn1C 575577641 352763239 /nfs/dbraw/zinc/76/32/39/352763239.db2.gz JASSZBJWSWPGOJ-UHFFFAOYSA-N 0 0 164.208 1.321 10 0 ADAERN Cc1cc([C@H]2NNC(=O)[C@H]2C)cs1 575577637 352763249 /nfs/dbraw/zinc/76/32/49/352763249.db2.gz IWIDHRZSBSWDTC-XPUUQOCRSA-N 0 0 196.275 1.368 10 0 ADAERN CC1(C)C[C@H]1CNc1cnns1 575577638 352763261 /nfs/dbraw/zinc/76/32/61/352763261.db2.gz QITQPTZIIWIXTA-LURJTMIESA-N 0 0 183.280 1.996 10 0 ADAERN CC1(C)C[C@@H]1CNc1cnns1 575577640 352763289 /nfs/dbraw/zinc/76/32/89/352763289.db2.gz QITQPTZIIWIXTA-ZCFIWIBFSA-N 0 0 183.280 1.996 10 0 ADAERN Cc1cc(N[C@]2(C)C[C@H]2C)ncn1 575577755 352763568 /nfs/dbraw/zinc/76/35/68/352763568.db2.gz FGKCRVNWYBSWBF-GMSGAONNSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1csc([C@]2(C)CNC(=O)C2)n1 575577794 352763575 /nfs/dbraw/zinc/76/35/75/352763575.db2.gz LAGDCBOYJKUAPJ-VIFPVBQESA-N 0 0 196.275 1.229 10 0 ADAERN Cc1cc([C@H]2CC(=O)NN2)cs1 575577829 352763614 /nfs/dbraw/zinc/76/36/14/352763614.db2.gz LRDOFJADDIYHKB-SSDOTTSWSA-N 0 0 182.248 1.122 10 0 ADAERN Cc1cc(N[C@@]2(C)C[C@H]2C)ncn1 575577771 352763658 /nfs/dbraw/zinc/76/36/58/352763658.db2.gz FGKCRVNWYBSWBF-XCBNKYQSSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cc([C@@H]2CC(=O)NN2)cs1 575577832 352763675 /nfs/dbraw/zinc/76/36/75/352763675.db2.gz LRDOFJADDIYHKB-ZETCQYMHSA-N 0 0 182.248 1.122 10 0 ADAERN Cc1cc(N[C@@]2(C)C[C@@H]2C)ncn1 575577774 352763805 /nfs/dbraw/zinc/76/38/05/352763805.db2.gz FGKCRVNWYBSWBF-XVKPBYJWSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1csc([C@@]2(C)CNC(=O)C2)n1 575577782 352763823 /nfs/dbraw/zinc/76/38/23/352763823.db2.gz LAGDCBOYJKUAPJ-SECBINFHSA-N 0 0 196.275 1.229 10 0 ADAERN Cc1csc(-c2n[nH]cc2C=O)n1 575577833 352763864 /nfs/dbraw/zinc/76/38/64/352763864.db2.gz QUOBKZKIJMIMOF-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN Cc1cc(N[C@]2(C)C[C@@H]2C)ncn1 575577768 352763908 /nfs/dbraw/zinc/76/39/08/352763908.db2.gz FGKCRVNWYBSWBF-OIBJUYFYSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nc(C(=O)C(C)C)cn1C 575577839 352763923 /nfs/dbraw/zinc/76/39/23/352763923.db2.gz LUVBBAZOPLIAAS-UHFFFAOYSA-N 0 0 166.224 1.567 10 0 ADAERN FC1(F)CC(N2CN=NC2=S)C1 575577792 352763927 /nfs/dbraw/zinc/76/39/27/352763927.db2.gz NGWWDFYJUBGYIX-UHFFFAOYSA-N 0 0 191.206 1.537 10 0 ADAERN CC(C)Cc1nnc(C=O)s1 575577873 352764483 /nfs/dbraw/zinc/76/44/83/352764483.db2.gz ROIJCDHNQNXKBA-UHFFFAOYSA-N 0 0 170.237 1.549 10 0 ADAERN Cn1nc(-c2cncs2)c(F)c1N 575577988 352764519 /nfs/dbraw/zinc/76/45/19/352764519.db2.gz SSSDXRMEXIZUAJ-UHFFFAOYSA-N 0 0 198.226 1.265 10 0 ADAERN CC[C@@H]1COC[C@@]1(O)c1ccc[nH]1 575577880 352764549 /nfs/dbraw/zinc/76/45/49/352764549.db2.gz PRNWNDUUEBVBSR-SCZZXKLOSA-N 0 0 181.235 1.259 10 0 ADAERN CC(C)C1(C2N=NC(=S)N2C)CC1 575577935 352764602 /nfs/dbraw/zinc/76/46/02/352764602.db2.gz RBTYVHFOTZSPOJ-UHFFFAOYSA-N 0 0 197.307 1.791 10 0 ADAERN CC[C@H]1COC[C@]1(O)c1ccc[nH]1 575577892 352764616 /nfs/dbraw/zinc/76/46/16/352764616.db2.gz PRNWNDUUEBVBSR-WCBMZHEXSA-N 0 0 181.235 1.259 10 0 ADAERN O=C1CCCCC[C@@H]1[C@H]1CC[C@H]1O 575577923 352764666 /nfs/dbraw/zinc/76/46/66/352764666.db2.gz QSJMEYMNCUPEQZ-FXPVBKGRSA-N 0 0 182.263 1.907 10 0 ADAERN O=C1CCCCC[C@@H]1[C@H]1CC[C@@H]1O 575577926 352764670 /nfs/dbraw/zinc/76/46/70/352764670.db2.gz QSJMEYMNCUPEQZ-KKZNHRDASA-N 0 0 182.263 1.907 10 0 ADAERN O=C1CCCCC[C@@H]1[C@@H]1CC[C@H]1O 575577929 352764688 /nfs/dbraw/zinc/76/46/88/352764688.db2.gz QSJMEYMNCUPEQZ-WCABBAIRSA-N 0 0 182.263 1.907 10 0 ADAERN OCc1nc2c([nH]1)C[C@@H]1CC[C@H]2C1 575577980 352764726 /nfs/dbraw/zinc/76/47/26/352764726.db2.gz SNEOHVBFEHLFBH-RQJHMYQMSA-N 0 0 178.235 1.342 10 0 ADAERN Cn1nc(C2CCCC2)c(F)c1N 575577921 352764797 /nfs/dbraw/zinc/76/47/97/352764797.db2.gz RNTWRSKEGIZSGK-UHFFFAOYSA-N 0 0 183.230 1.799 10 0 ADAERN CC[C@@H]1COC[C@]1(O)c1ccc[nH]1 575577875 352764814 /nfs/dbraw/zinc/76/48/14/352764814.db2.gz PRNWNDUUEBVBSR-PSASIEDQSA-N 0 0 181.235 1.259 10 0 ADAERN CC[C@H]1COC[C@@]1(O)c1ccc[nH]1 575577906 352764844 /nfs/dbraw/zinc/76/48/44/352764844.db2.gz PRNWNDUUEBVBSR-WPRPVWTQSA-N 0 0 181.235 1.259 10 0 ADAERN O=C1CCCCC[C@@H]1[C@@H]1CC[C@@H]1O 575577930 352764849 /nfs/dbraw/zinc/76/48/49/352764849.db2.gz QSJMEYMNCUPEQZ-YWVKMMECSA-N 0 0 182.263 1.907 10 0 ADAERN C/C=C/[C@@H](NN)c1cccs1 575578058 352765216 /nfs/dbraw/zinc/76/52/16/352765216.db2.gz XFBUSMUDVBDXKX-NUOXCJHRSA-N 0 0 168.265 1.829 10 0 ADAERN S=c1[n-]nc([C@@H]2CC23CC3)o1 575578030 352765271 /nfs/dbraw/zinc/76/52/71/352765271.db2.gz WBKATILILXDZLI-BYPYZUCNSA-N 0 0 168.221 1.626 10 0 ADAERN C/C=C/[C@H](NN)c1cccs1 575578063 352765304 /nfs/dbraw/zinc/76/53/04/352765304.db2.gz XFBUSMUDVBDXKX-XBBYQOBLSA-N 0 0 168.265 1.829 10 0 ADAERN S=c1[n-]nc([C@H]2CC23CC3)o1 575578031 352765472 /nfs/dbraw/zinc/76/54/72/352765472.db2.gz WBKATILILXDZLI-SCSAIBSYSA-N 0 0 168.221 1.626 10 0 ADAERN Cc1c[nH]nc1-c1ccc(CO)o1 575578016 352765491 /nfs/dbraw/zinc/76/54/91/352765491.db2.gz TWQOSTSJVHKYJN-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN C[C@@](O)(c1ccc[nH]1)c1nccs1 575578023 352765509 /nfs/dbraw/zinc/76/55/09/352765509.db2.gz UVZNMANQBGOOPK-SECBINFHSA-N 0 0 194.259 1.727 10 0 ADAERN Cc1c[nH]c(=O)nc1-c1cncs1 575578073 352765552 /nfs/dbraw/zinc/76/55/52/352765552.db2.gz XPCDDBDFHMUJST-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@](O)(c1ccc[nH]1)c1nccs1 575578024 352765577 /nfs/dbraw/zinc/76/55/77/352765577.db2.gz UVZNMANQBGOOPK-VIFPVBQESA-N 0 0 194.259 1.727 10 0 ADAERN C[C@H]1C[C@H]1CNc1cncnc1 575578155 352765868 /nfs/dbraw/zinc/76/58/68/352765868.db2.gz GYIAYGZKFYQEDT-YUMQZZPRSA-N 0 0 163.224 1.545 10 0 ADAERN C[C@@H](CF)Nc1ccncn1 575578204 352765873 /nfs/dbraw/zinc/76/58/73/352765873.db2.gz HAZLGQOVGFBVBY-LURJTMIESA-N 0 0 155.176 1.247 10 0 ADAERN C[C@H](CF)Nc1ccncn1 575578229 352765938 /nfs/dbraw/zinc/76/59/38/352765938.db2.gz HAZLGQOVGFBVBY-ZCFIWIBFSA-N 0 0 155.176 1.247 10 0 ADAERN Cc1ncc(-c2cn[nH]c(=O)c2)s1 575578130 352766018 /nfs/dbraw/zinc/76/60/18/352766018.db2.gz ZWMIKNLKJVCYGP-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN C[C@@H]1C[C@H]1CNc1cncnc1 575578154 352766054 /nfs/dbraw/zinc/76/60/54/352766054.db2.gz GYIAYGZKFYQEDT-SFYZADRCSA-N 0 0 163.224 1.545 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1cncnc1 575578152 352766147 /nfs/dbraw/zinc/76/61/47/352766147.db2.gz GYIAYGZKFYQEDT-HTQZYQBOSA-N 0 0 163.224 1.545 10 0 ADAERN CSCc1nnc(C=O)s1 575578190 352766223 /nfs/dbraw/zinc/76/62/23/352766223.db2.gz SQHCFGXOSFZOEO-UHFFFAOYSA-N 0 0 174.250 1.214 10 0 ADAERN C[C@@H](CF)Nc1ccccn1 575578136 352766235 /nfs/dbraw/zinc/76/62/35/352766235.db2.gz GTRZPFSJGVAGBT-ZETCQYMHSA-N 0 0 154.188 1.852 10 0 ADAERN C[C@H](CF)Nc1ccccn1 575578134 352766261 /nfs/dbraw/zinc/76/62/61/352766261.db2.gz GTRZPFSJGVAGBT-SSDOTTSWSA-N 0 0 154.188 1.852 10 0 ADAERN C[C@H]1C[C@@H]1CNc1cncnc1 575578153 352766284 /nfs/dbraw/zinc/76/62/84/352766284.db2.gz GYIAYGZKFYQEDT-JGVFFNPUSA-N 0 0 163.224 1.545 10 0 ADAERN Cn1nc([C@@]2(C)C[C@H]2F)c(F)c1N 575578365 352766686 /nfs/dbraw/zinc/76/66/86/352766686.db2.gz VNZNIBRFKYJWPZ-VHWMUFPASA-N 0 0 187.193 1.141 10 0 ADAERN Cn1nc(-c2ccns2)c(F)c1N 575578356 352766695 /nfs/dbraw/zinc/76/66/95/352766695.db2.gz VHTSFKTWEPXCNZ-UHFFFAOYSA-N 0 0 198.226 1.265 10 0 ADAERN Cc1csc([C@@]2(C)CC(=O)CO2)n1 575578354 352766747 /nfs/dbraw/zinc/76/67/47/352766747.db2.gz RBOUDRXWLXPVRS-SECBINFHSA-N 0 0 197.259 1.656 10 0 ADAERN Cn1nc([C@]2(C)C[C@H]2F)c(F)c1N 575578363 352767118 /nfs/dbraw/zinc/76/71/18/352767118.db2.gz VNZNIBRFKYJWPZ-SPGJFGJESA-N 0 0 187.193 1.141 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nn(C)c(N)c1F 575578408 352767704 /nfs/dbraw/zinc/76/77/04/352767704.db2.gz WFICKLPMIWRSRW-ANLVUFKYSA-N 0 0 183.230 1.439 10 0 ADAERN Cc1csc([C@]2(C)CC(=O)CO2)n1 575578357 352767142 /nfs/dbraw/zinc/76/71/42/352767142.db2.gz RBOUDRXWLXPVRS-VIFPVBQESA-N 0 0 197.259 1.656 10 0 ADAERN Cn1nc([C@]2(C)C[C@@H]2F)c(F)c1N 575578361 352767200 /nfs/dbraw/zinc/76/72/00/352767200.db2.gz VNZNIBRFKYJWPZ-RNHFCUEFSA-N 0 0 187.193 1.141 10 0 ADAERN Cn1cncc1C1CCC(=O)CC1 575578257 352767219 /nfs/dbraw/zinc/76/72/19/352767219.db2.gz UUOOVCDWEDWRDE-UHFFFAOYSA-N 0 0 178.235 1.647 10 0 ADAERN Cn1nc([C@@]2(C)C[C@@H]2F)c(F)c1N 575578359 352767267 /nfs/dbraw/zinc/76/72/67/352767267.db2.gz VNZNIBRFKYJWPZ-NVNXEXLPSA-N 0 0 187.193 1.141 10 0 ADAERN N#CNc1ccc(C=O)cc1 575578320 352767373 /nfs/dbraw/zinc/76/73/73/352767373.db2.gz UQXIZOCEJBUZII-UHFFFAOYSA-N 0 0 146.149 1.392 10 0 ADAERN C[C@]1(Cn2cc([O-])cn2)CC1(F)F 575578411 352767583 /nfs/dbraw/zinc/76/75/83/352767583.db2.gz AGIMTHSYGRSNLD-SSDOTTSWSA-N 0 0 188.177 1.634 10 0 ADAERN Cn1nc(-c2ccsn2)c(F)c1N 575578400 352767589 /nfs/dbraw/zinc/76/75/89/352767589.db2.gz WDVSGBIBKLTVRA-UHFFFAOYSA-N 0 0 198.226 1.265 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1nn(C)c(N)c1F 575578413 352767597 /nfs/dbraw/zinc/76/75/97/352767597.db2.gz WFICKLPMIWRSRW-MLUIRONXSA-N 0 0 183.230 1.439 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1CC(=O)CCO1 575578442 352767599 /nfs/dbraw/zinc/76/75/99/352767599.db2.gz ALTJVQAMQSNRHF-BDAKNGLRSA-N 0 0 168.236 1.781 10 0 ADAERN CCC(=O)c1cn2c(n1)COCC2 575578513 352767619 /nfs/dbraw/zinc/76/76/19/352767619.db2.gz BEDXSTIAEWBRKA-UHFFFAOYSA-N 0 0 180.207 1.006 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1CC(=O)CCO1 575578448 352767624 /nfs/dbraw/zinc/76/76/24/352767624.db2.gz ALTJVQAMQSNRHF-RKDXNWHRSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1COC[C@H]1C(=O)c1cncs1 575578476 352767640 /nfs/dbraw/zinc/76/76/40/352767640.db2.gz WYXWXVGOANSZLA-RNFRBKRXSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@H]1C[C@@]1(C)c1nn(C)c(N)c1F 575578418 352767724 /nfs/dbraw/zinc/76/77/24/352767724.db2.gz WFICKLPMIWRSRW-SSDLBLMSSA-N 0 0 183.230 1.439 10 0 ADAERN C[C@H]1C[C@]1(C)c1nn(C)c(N)c1F 575578410 352767781 /nfs/dbraw/zinc/76/77/81/352767781.db2.gz WFICKLPMIWRSRW-CDUCUWFYSA-N 0 0 183.230 1.439 10 0 ADAERN C[C@H]1COC[C@@H]1C(=O)c1cncs1 575578473 352767808 /nfs/dbraw/zinc/76/78/08/352767808.db2.gz WYXWXVGOANSZLA-BQBZGAKWSA-N 0 0 197.259 1.608 10 0 ADAERN CC1(C)C[C@H]1[C@@H]1CC(=O)CCO1 575578446 352767836 /nfs/dbraw/zinc/76/78/36/352767836.db2.gz ALTJVQAMQSNRHF-IUCAKERBSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@]1(Cn2cc([O-])cn2)CC1(F)F 575578414 352767930 /nfs/dbraw/zinc/76/79/30/352767930.db2.gz AGIMTHSYGRSNLD-ZETCQYMHSA-N 0 0 188.177 1.634 10 0 ADAERN C[C@@H]1COC[C@@H]1C(=O)c1cncs1 575578479 352767952 /nfs/dbraw/zinc/76/79/52/352767952.db2.gz WYXWXVGOANSZLA-RQJHMYQMSA-N 0 0 197.259 1.608 10 0 ADAERN CC1(C)C[C@H]1[C@H]1CC(=O)CCO1 575578444 352767970 /nfs/dbraw/zinc/76/79/70/352767970.db2.gz ALTJVQAMQSNRHF-DTWKUNHWSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@H]1COC[C@H]1C(=O)c1cncs1 575578474 352767975 /nfs/dbraw/zinc/76/79/75/352767975.db2.gz WYXWXVGOANSZLA-NKWVEPMBSA-N 0 0 197.259 1.608 10 0 ADAERN C[C@@H]1CCN1c1ncc(C=O)s1 575578639 352768661 /nfs/dbraw/zinc/76/86/61/352768661.db2.gz XISTWQDNUWQVRS-ZCFIWIBFSA-N 0 0 182.248 1.554 10 0 ADAERN CCc1c(-c2ccns2)noc1N 575578715 352768723 /nfs/dbraw/zinc/76/87/23/352768723.db2.gz YVUPBTRMMCPDTP-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ccncn1 575578885 352769307 /nfs/dbraw/zinc/76/93/07/352769307.db2.gz JATUKCMVWXXVHB-IONNQARKSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ccncn1 575578886 352769333 /nfs/dbraw/zinc/76/93/33/352769333.db2.gz JATUKCMVWXXVHB-VXNVDRBHSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ccncn1 575578884 352769344 /nfs/dbraw/zinc/76/93/44/352769344.db2.gz JATUKCMVWXXVHB-CBAPKCEASA-N 0 0 163.224 1.687 10 0 ADAERN Cc1nc(C(=O)C(C)(C)C)cn1C 575578887 352769371 /nfs/dbraw/zinc/76/93/71/352769371.db2.gz WDTQHSJJKZDYMS-UHFFFAOYSA-N 0 0 180.251 1.957 10 0 ADAERN N#CN1CCC[C@H]1[C@H]1CCCC1=O 575578845 352769388 /nfs/dbraw/zinc/76/93/88/352769388.db2.gz VBZCLQHRXXALHO-BDAKNGLRSA-N 0 0 178.235 1.301 10 0 ADAERN Cc1csc(-c2c[nH]c(C=O)n2)n1 575578750 352769412 /nfs/dbraw/zinc/76/94/12/352769412.db2.gz ZJGIGIJJCSQDEA-UHFFFAOYSA-N 0 0 193.231 1.654 10 0 ADAERN Cn1nc(CC2CCC2)c(F)c1N 575578836 352769455 /nfs/dbraw/zinc/76/94/55/352769455.db2.gz ZPNSWYVDELJAPQ-UHFFFAOYSA-N 0 0 183.230 1.484 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ccncn1 575578882 352769463 /nfs/dbraw/zinc/76/94/63/352769463.db2.gz JATUKCMVWXXVHB-APPZFPTMSA-N 0 0 163.224 1.687 10 0 ADAERN N#CN1CCC[C@@H]1[C@@H]1CCCC1=O 575578847 352769472 /nfs/dbraw/zinc/76/94/72/352769472.db2.gz VBZCLQHRXXALHO-DTWKUNHWSA-N 0 0 178.235 1.301 10 0 ADAERN N#CN1CCC[C@H]1[C@@H]1CCCC1=O 575578848 352769484 /nfs/dbraw/zinc/76/94/84/352769484.db2.gz VBZCLQHRXXALHO-IUCAKERBSA-N 0 0 178.235 1.301 10 0 ADAERN Cc1nc(C(=O)C2(C)CC2)cn1C 575578875 352769507 /nfs/dbraw/zinc/76/95/07/352769507.db2.gz WAQWIKIVQYMGKD-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN N#CN1CCC[C@@H]1[C@H]1CCCC1=O 575578849 352769534 /nfs/dbraw/zinc/76/95/34/352769534.db2.gz VBZCLQHRXXALHO-RKDXNWHRSA-N 0 0 178.235 1.301 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cnnn1C 575579034 352769838 /nfs/dbraw/zinc/76/98/38/352769838.db2.gz JQKKDTMHWHRKFN-HTRCEHHLSA-N 0 0 166.228 1.026 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cnnn1C 575579036 352769854 /nfs/dbraw/zinc/76/98/54/352769854.db2.gz JQKKDTMHWHRKFN-POYBYMJQSA-N 0 0 166.228 1.026 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cnnn1C 575579043 352769915 /nfs/dbraw/zinc/76/99/15/352769915.db2.gz JQKKDTMHWHRKFN-XPUUQOCRSA-N 0 0 166.228 1.026 10 0 ADAERN Cc1ccoc1-c1nnc(C=O)s1 575579000 352770018 /nfs/dbraw/zinc/77/00/18/352770018.db2.gz VQISJMJHCYEMIQ-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cnnn1C 575579037 352770197 /nfs/dbraw/zinc/77/01/97/352770197.db2.gz JQKKDTMHWHRKFN-SVRRBLITSA-N 0 0 166.228 1.026 10 0 ADAERN Nc1cncc(NC2CSC2)c1 575579033 352770218 /nfs/dbraw/zinc/77/02/18/352770218.db2.gz JMTXINUNGWGWSL-UHFFFAOYSA-N 0 0 181.264 1.191 10 0 ADAERN O=c1[nH]ccn1[C@@]12CCC[C@@H]1C2 575579200 352770654 /nfs/dbraw/zinc/77/06/54/352770654.db2.gz LITMRQALUGNFBZ-VXNVDRBHSA-N 0 0 164.208 1.488 10 0 ADAERN Cc1cc(O)cc(-n2cnnc2)c1 575579109 352770739 /nfs/dbraw/zinc/77/07/39/352770739.db2.gz XZCRCTJZGHEWSD-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN O=C1Cc2ccc(F)c(Cl)c2N1 575579124 352770823 /nfs/dbraw/zinc/77/08/23/352770823.db2.gz YKSLELUZRMFBOO-UHFFFAOYSA-N 0 0 185.585 1.974 10 0 ADAERN O=c1[nH]ccn1[C@]12CCC[C@H]1C2 575579198 352770909 /nfs/dbraw/zinc/77/09/09/352770909.db2.gz LITMRQALUGNFBZ-CBAPKCEASA-N 0 0 164.208 1.488 10 0 ADAERN O=C1Cc2ccc3c(c2N1)CCO3 575579216 352771482 /nfs/dbraw/zinc/77/14/82/352771482.db2.gz OSBOLCRXKNTOGL-UHFFFAOYSA-N 0 0 175.187 1.116 10 0 ADAERN CC1(C)C[C@H]1C1CC(=O)CC(=O)C1 575579351 352772083 /nfs/dbraw/zinc/77/20/83/352772083.db2.gz LQGOFSVVMABDHI-JTQLQIEISA-N 0 0 180.247 1.971 10 0 ADAERN O=Cc1nnc(-c2cncs2)s1 575579367 352772114 /nfs/dbraw/zinc/77/21/14/352772114.db2.gz XKFRZBUYQVEASI-UHFFFAOYSA-N 0 0 197.244 1.474 10 0 ADAERN CC[C@@H](C)c1nnc(C=O)s1 575579410 352772125 /nfs/dbraw/zinc/77/21/25/352772125.db2.gz YFPLWCIKUDTLHX-RXMQYKEDSA-N 0 0 170.237 1.864 10 0 ADAERN CC[C@H](C)c1nnc(C=O)s1 575579411 352772159 /nfs/dbraw/zinc/77/21/59/352772159.db2.gz YFPLWCIKUDTLHX-YFKPBYRVSA-N 0 0 170.237 1.864 10 0 ADAERN CC1(C)C[C@@H]1C1CC(=O)CC(=O)C1 575579353 352772167 /nfs/dbraw/zinc/77/21/67/352772167.db2.gz LQGOFSVVMABDHI-SNVBAGLBSA-N 0 0 180.247 1.971 10 0 ADAERN Fc1ccccc1N[C@H]1CNOC1 575579453 352772313 /nfs/dbraw/zinc/77/23/13/352772313.db2.gz KWQUMRFOCBKZMQ-ZETCQYMHSA-N 0 0 182.198 1.141 10 0 ADAERN Cc1occc1-c1nnc(C=O)s1 575579389 352772363 /nfs/dbraw/zinc/77/23/63/352772363.db2.gz XWPMLXBQLNREGL-UHFFFAOYSA-N 0 0 194.215 1.919 10 0 ADAERN Fc1ccccc1N[C@@H]1CNOC1 575579452 352772432 /nfs/dbraw/zinc/77/24/32/352772432.db2.gz KWQUMRFOCBKZMQ-SSDOTTSWSA-N 0 0 182.198 1.141 10 0 ADAERN O=C(Nc1ncc[nH]1)[C@@H]1CC12CC2 575579555 352772677 /nfs/dbraw/zinc/77/26/77/352772677.db2.gz UVJLQTXDLRMPEZ-LURJTMIESA-N 0 0 177.207 1.148 10 0 ADAERN CC(C)C(C)(C)n1cc[nH]c1=O 575579638 352772862 /nfs/dbraw/zinc/77/28/62/352772862.db2.gz YDZVRGSCBYWYEP-UHFFFAOYSA-N 0 0 168.240 1.980 10 0 ADAERN C[C@H](CF)Nc1ncccc1N 575579547 352772896 /nfs/dbraw/zinc/77/28/96/352772896.db2.gz MTYYSEBHURFMFV-ZCFIWIBFSA-N 0 0 169.203 1.434 10 0 ADAERN O=C(Nc1ncc[nH]1)[C@H]1CC12CC2 575579557 352772906 /nfs/dbraw/zinc/77/29/06/352772906.db2.gz UVJLQTXDLRMPEZ-ZCFIWIBFSA-N 0 0 177.207 1.148 10 0 ADAERN CC(C)=C[C@H](O)c1cn[nH]c1 575579623 352772932 /nfs/dbraw/zinc/77/29/32/352772932.db2.gz WUNKUZXLCFVDOS-QMMMGPOBSA-N 0 0 152.197 1.409 10 0 ADAERN CC(C)=C[C@@H](O)c1cn[nH]c1 575579622 352772973 /nfs/dbraw/zinc/77/29/73/352772973.db2.gz WUNKUZXLCFVDOS-MRVPVSSYSA-N 0 0 152.197 1.409 10 0 ADAERN C[C@@H](CF)Nc1ncccc1N 575579546 352773005 /nfs/dbraw/zinc/77/30/05/352773005.db2.gz MTYYSEBHURFMFV-LURJTMIESA-N 0 0 169.203 1.434 10 0 ADAERN CC1(C)C[C@H]1C(=O)[C@H]1CCC(=O)C1 575579814 352773467 /nfs/dbraw/zinc/77/34/67/352773467.db2.gz NQCQBLGFBMYQTG-CBAPKCEASA-N 0 0 180.247 1.971 10 0 ADAERN CC(=O)C[C@@H]1CCCCCN1C#N 575579797 352773485 /nfs/dbraw/zinc/77/34/85/352773485.db2.gz ZXNMSMHRUWWMBY-JTQLQIEISA-N 0 0 180.251 1.691 10 0 ADAERN CC1(C)C[C@H]1C(=O)[C@@H]1CCC(=O)C1 575579813 352773489 /nfs/dbraw/zinc/77/34/89/352773489.db2.gz NQCQBLGFBMYQTG-APPZFPTMSA-N 0 0 180.247 1.971 10 0 ADAERN CC(=O)C[C@H]1CCCCCN1C#N 575579799 352773522 /nfs/dbraw/zinc/77/35/22/352773522.db2.gz ZXNMSMHRUWWMBY-SNVBAGLBSA-N 0 0 180.251 1.691 10 0 ADAERN CC1(C)C[C@@H]1C(=O)[C@@H]1CCC(=O)C1 575579816 352773773 /nfs/dbraw/zinc/77/37/73/352773773.db2.gz NQCQBLGFBMYQTG-VXNVDRBHSA-N 0 0 180.247 1.971 10 0 ADAERN CC1(C)C[C@@H]1C(=O)[C@H]1CCC(=O)C1 575579815 352773869 /nfs/dbraw/zinc/77/38/69/352773869.db2.gz NQCQBLGFBMYQTG-IONNQARKSA-N 0 0 180.247 1.971 10 0 ADAERN Cc1nc([C@H]2CCCC2=O)cn1C 575579944 352774432 /nfs/dbraw/zinc/77/44/32/352774432.db2.gz PKRHOJPVIIOFID-MRVPVSSYSA-N 0 0 178.235 1.565 10 0 ADAERN CC(C)(C)Nc1cc(CO)ncn1 575579962 352774472 /nfs/dbraw/zinc/77/44/72/352774472.db2.gz OYLCZOPHNKJSEP-UHFFFAOYSA-N 0 0 181.239 1.179 10 0 ADAERN Cc1nc([C@@H]2CCCC2=O)cn1C 575579963 352774518 /nfs/dbraw/zinc/77/45/18/352774518.db2.gz PKRHOJPVIIOFID-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1CC[NH2+][C@@H]1C(=O)[O-] 575580090 352774888 /nfs/dbraw/zinc/77/48/88/352774888.db2.gz UXVPVKWDZZUZCB-PRJMDXOYSA-N 0 0 183.251 1.095 10 0 ADAERN Oc1cccc(Cn2ccnn2)c1 575579977 352774824 /nfs/dbraw/zinc/77/48/24/352774824.db2.gz PXPZEOFANOCEAW-UHFFFAOYSA-N 0 0 175.191 1.032 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1CC[NH2+][C@H]1C(=O)[O-] 575580089 352774858 /nfs/dbraw/zinc/77/48/58/352774858.db2.gz UXVPVKWDZZUZCB-BWZBUEFSSA-N 0 0 183.251 1.095 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1CC[NH2+][C@@H]1C(=O)[O-] 575580091 352775053 /nfs/dbraw/zinc/77/50/53/352775053.db2.gz UXVPVKWDZZUZCB-RNJXMRFFSA-N 0 0 183.251 1.095 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1CC[NH2+][C@H]1C(=O)[O-] 575580092 352775133 /nfs/dbraw/zinc/77/51/33/352775133.db2.gz UXVPVKWDZZUZCB-XLPZGREQSA-N 0 0 183.251 1.095 10 0 ADAERN Cc1ccsc1[C@@H]1NNC(=O)[C@H]1C 575579982 352775162 /nfs/dbraw/zinc/77/51/62/352775162.db2.gz PZXNJSHZCYPGEX-NKWVEPMBSA-N 0 0 196.275 1.368 10 0 ADAERN Cc1nc(C(=O)C2CSC2)cn1C 575580005 352775174 /nfs/dbraw/zinc/77/51/74/352775174.db2.gz QKZJCWQJAUZAGP-UHFFFAOYSA-N 0 0 196.275 1.274 10 0 ADAERN Cc1ccsc1[C@H]1NNC(=O)[C@@H]1C 575579984 352775200 /nfs/dbraw/zinc/77/52/00/352775200.db2.gz PZXNJSHZCYPGEX-RQJHMYQMSA-N 0 0 196.275 1.368 10 0 ADAERN Cc1ccsc1[C@@H]1NNC(=O)[C@@H]1C 575579983 352775264 /nfs/dbraw/zinc/77/52/64/352775264.db2.gz PZXNJSHZCYPGEX-RNFRBKRXSA-N 0 0 196.275 1.368 10 0 ADAERN Cn1cc(NCC2CCC2)nn1 575580204 352775686 /nfs/dbraw/zinc/77/56/86/352775686.db2.gz QYDWOQQAFIXTOV-UHFFFAOYSA-N 0 0 166.228 1.027 10 0 ADAERN CNc1cncc(NC2CSC2)c1 575580147 352775688 /nfs/dbraw/zinc/77/56/88/352775688.db2.gz QEDNAYXYWOYDKA-UHFFFAOYSA-N 0 0 195.291 1.651 10 0 ADAERN Cc1nc(F)c2cc(O)ccc2n1 575580194 352775720 /nfs/dbraw/zinc/77/57/20/352775720.db2.gz WNJXSMICKWGXMW-UHFFFAOYSA-N 0 0 178.166 1.783 10 0 ADAERN O=Cc1nnc(-c2ccsn2)s1 575580340 352776442 /nfs/dbraw/zinc/77/64/42/352776442.db2.gz BNWLVPXMAIIVIZ-UHFFFAOYSA-N 0 0 197.244 1.474 10 0 ADAERN C[C@H](CF)Nc1ncccc1F 575580458 352777029 /nfs/dbraw/zinc/77/70/29/352777029.db2.gz UNODIRXNUUTZJJ-ZCFIWIBFSA-N 0 0 172.178 1.991 10 0 ADAERN Fc1cccc(N[C@H]2CNOC2)c1 575580406 352777076 /nfs/dbraw/zinc/77/70/76/352777076.db2.gz SIRQZOAIUVOFNR-VIFPVBQESA-N 0 0 182.198 1.141 10 0 ADAERN C[C@@H](CF)Nc1ncccc1F 575580457 352777224 /nfs/dbraw/zinc/77/72/24/352777224.db2.gz UNODIRXNUUTZJJ-LURJTMIESA-N 0 0 172.178 1.991 10 0 ADAERN Fc1cccc(N[C@@H]2CNOC2)c1 575580405 352777379 /nfs/dbraw/zinc/77/73/79/352777379.db2.gz SIRQZOAIUVOFNR-SECBINFHSA-N 0 0 182.198 1.141 10 0 ADAERN Cc1cnc(N[C@@]2(C)C[C@H]2C)nc1 575580611 352777720 /nfs/dbraw/zinc/77/77/20/352777720.db2.gz VJZXHGWRXJTTCY-SCZZXKLOSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nc(C(F)(F)CN)sc1C 575580570 352777837 /nfs/dbraw/zinc/77/78/37/352777837.db2.gz DPOFTVIMKURFKH-UHFFFAOYSA-N 0 0 192.234 1.810 10 0 ADAERN Cc1cnc(N[C@@H](C)CF)nc1C 575580488 352777857 /nfs/dbraw/zinc/77/78/57/352777857.db2.gz VFGZNYWUTIIOGO-ZETCQYMHSA-N 0 0 183.230 1.863 10 0 ADAERN O=C([O-])C[N@@H+]1CCC12CCCCC2 575580596 352777945 /nfs/dbraw/zinc/77/79/45/352777945.db2.gz FGKZIVJXSGWPLO-UHFFFAOYSA-N 0 0 183.251 1.480 10 0 ADAERN Cc1cnc(N[C@]2(C)C[C@H]2C)nc1 575580610 352778002 /nfs/dbraw/zinc/77/80/02/352778002.db2.gz VJZXHGWRXJTTCY-PSASIEDQSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnc(N[C@@]2(C)C[C@@H]2C)nc1 575580613 352778135 /nfs/dbraw/zinc/77/81/35/352778135.db2.gz VJZXHGWRXJTTCY-WPRPVWTQSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnc(N[C@H](C)CF)nc1C 575580483 352778190 /nfs/dbraw/zinc/77/81/90/352778190.db2.gz VFGZNYWUTIIOGO-SSDOTTSWSA-N 0 0 183.230 1.863 10 0 ADAERN Cc1cnc(N[C@]2(C)C[C@@H]2C)nc1 575580612 352778201 /nfs/dbraw/zinc/77/82/01/352778201.db2.gz VJZXHGWRXJTTCY-WCBMZHEXSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccnc(N[C@]2(C)C[C@@H]2C)n1 575580663 352778543 /nfs/dbraw/zinc/77/85/43/352778543.db2.gz WIPVJOKVLLSEDZ-OIBJUYFYSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ncc(F)cn1 575580653 352778563 /nfs/dbraw/zinc/77/85/63/352778563.db2.gz VXRPDCVYBQPCCG-RCOVLWMOSA-N 0 0 181.214 1.826 10 0 ADAERN Cc1ccnc(N[C@]2(C)C[C@H]2C)n1 575580662 352778586 /nfs/dbraw/zinc/77/85/86/352778586.db2.gz WIPVJOKVLLSEDZ-GMSGAONNSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ncc(N[C@@H](C)CF)nc1C 575580667 352778591 /nfs/dbraw/zinc/77/85/91/352778591.db2.gz WKQWYKKMFSXYBV-LURJTMIESA-N 0 0 183.230 1.863 10 0 ADAERN C[C@@H](CF)Nc1ncc(N)s1 575580638 352778649 /nfs/dbraw/zinc/77/86/49/352778649.db2.gz VSWWMMZPRJYSHK-BYPYZUCNSA-N 0 0 175.232 1.495 10 0 ADAERN Cc1nccc(N[C@]2(C)C[C@@H]2C)n1 575580630 352778671 /nfs/dbraw/zinc/77/86/71/352778671.db2.gz VQUVUUNJNOYTFB-OIBJUYFYSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nccc(N[C@]2(C)C[C@H]2C)n1 575580629 352778762 /nfs/dbraw/zinc/77/87/62/352778762.db2.gz VQUVUUNJNOYTFB-GMSGAONNSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ncc(N[C@H](C)CF)nc1C 575580668 352778853 /nfs/dbraw/zinc/77/88/53/352778853.db2.gz WKQWYKKMFSXYBV-ZCFIWIBFSA-N 0 0 183.230 1.863 10 0 ADAERN Cc1ccnc(N[C@@]2(C)C[C@H]2C)n1 575580664 352778966 /nfs/dbraw/zinc/77/89/66/352778966.db2.gz WIPVJOKVLLSEDZ-XCBNKYQSSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nccc(N[C@@]2(C)C[C@H]2C)n1 575580631 352778985 /nfs/dbraw/zinc/77/89/85/352778985.db2.gz VQUVUUNJNOYTFB-XCBNKYQSSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@H](CF)Nc1ncc(N)s1 575580639 352779001 /nfs/dbraw/zinc/77/90/01/352779001.db2.gz VSWWMMZPRJYSHK-SCSAIBSYSA-N 0 0 175.232 1.495 10 0 ADAERN C[C@H](CF)Nc1cc(N)ns1 575580695 352779021 /nfs/dbraw/zinc/77/90/21/352779021.db2.gz XATHIYICQZKLPW-SCSAIBSYSA-N 0 0 175.232 1.495 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ncc(F)cn1 575580651 352779033 /nfs/dbraw/zinc/77/90/33/352779033.db2.gz VXRPDCVYBQPCCG-IMTBSYHQSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H](CF)Nc1cc(N)ns1 575580694 352779054 /nfs/dbraw/zinc/77/90/54/352779054.db2.gz XATHIYICQZKLPW-BYPYZUCNSA-N 0 0 175.232 1.495 10 0 ADAERN Cc1ccnc(N[C@@]2(C)C[C@@H]2C)n1 575580665 352779118 /nfs/dbraw/zinc/77/91/18/352779118.db2.gz WIPVJOKVLLSEDZ-XVKPBYJWSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nccc(N[C@@]2(C)C[C@@H]2C)n1 575580632 352779128 /nfs/dbraw/zinc/77/91/28/352779128.db2.gz VQUVUUNJNOYTFB-XVKPBYJWSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ncc(F)cn1 575580652 352779147 /nfs/dbraw/zinc/77/91/47/352779147.db2.gz VXRPDCVYBQPCCG-MUWHJKNJSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ncc(F)cn1 575580650 352779153 /nfs/dbraw/zinc/77/91/53/352779153.db2.gz VXRPDCVYBQPCCG-HZGVNTEJSA-N 0 0 181.214 1.826 10 0 ADAERN Cn1cc(NCC2CCCC2)nn1 575580696 352779167 /nfs/dbraw/zinc/77/91/67/352779167.db2.gz XBGXCKUDWRJWOS-UHFFFAOYSA-N 0 0 180.255 1.417 10 0 ADAERN Cc1cnc(C)c(N[C@@H](C)CF)n1 575580857 352779440 /nfs/dbraw/zinc/77/94/40/352779440.db2.gz YRORPYDDQAKGBK-LURJTMIESA-N 0 0 183.230 1.863 10 0 ADAERN Cc1nc(N[C@H](C)CF)cc(=O)[nH]1 575580786 352779445 /nfs/dbraw/zinc/77/94/45/352779445.db2.gz XCPAEXXEHBLVOU-RXMQYKEDSA-N 0 0 185.202 1.261 10 0 ADAERN Cc1nc(N[C@@H](C)CF)cc(=O)[nH]1 575580787 352779471 /nfs/dbraw/zinc/77/94/71/352779471.db2.gz XCPAEXXEHBLVOU-YFKPBYRVSA-N 0 0 185.202 1.261 10 0 ADAERN C[C@H](CF)Nc1ccncc1Cl 575580828 352779598 /nfs/dbraw/zinc/77/95/98/352779598.db2.gz XOVFJSUAYQFRHR-ZCFIWIBFSA-N 0 0 188.633 1.927 10 0 ADAERN CNc1cc(NC2CSC2)ncn1 575580884 352779604 /nfs/dbraw/zinc/77/96/04/352779604.db2.gz ZRQRCVSSOZKACT-UHFFFAOYSA-N 0 0 196.279 1.046 10 0 ADAERN C[C@@H](CF)Nc1ccncc1Cl 575580827 352779632 /nfs/dbraw/zinc/77/96/32/352779632.db2.gz XOVFJSUAYQFRHR-LURJTMIESA-N 0 0 188.633 1.927 10 0 ADAERN Cc1cnc(C)c(N[C@H](C)CF)n1 575580858 352779675 /nfs/dbraw/zinc/77/96/75/352779675.db2.gz YRORPYDDQAKGBK-ZCFIWIBFSA-N 0 0 183.230 1.863 10 0 ADAERN CC1(C)C[C@H]1c1nccnc1N 575581099 352780458 /nfs/dbraw/zinc/78/04/58/352780458.db2.gz JOGMXHRDWBAFCQ-LURJTMIESA-N 0 0 163.224 1.572 10 0 ADAERN CC1(C)C[C@@H]1c1nccnc1N 575581100 352780485 /nfs/dbraw/zinc/78/04/85/352780485.db2.gz JOGMXHRDWBAFCQ-ZCFIWIBFSA-N 0 0 163.224 1.572 10 0 ADAERN O=Cc1cnc(-c2ccns2)o1 575581123 352781018 /nfs/dbraw/zinc/78/10/18/352781018.db2.gz JZGQGKNULPLMFH-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN C[C@H]1C[C@@H]1c1ncsc1N 575581278 352781774 /nfs/dbraw/zinc/78/17/74/352781774.db2.gz NGUMKPUJYVLPPJ-WHFBIAKZSA-N 0 0 154.238 1.849 10 0 ADAERN O=Cc1cnc(-c2ccsn2)o1 575581122 352781427 /nfs/dbraw/zinc/78/14/27/352781427.db2.gz JYTBIVSIYXIRGP-UHFFFAOYSA-N 0 0 180.188 1.611 10 0 ADAERN N[C@@H](c1ccsn1)c1ccns1 575581280 352781742 /nfs/dbraw/zinc/78/17/42/352781742.db2.gz NHQCNLOBWFIHQN-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1CCC12CCCC2 575581354 352781813 /nfs/dbraw/zinc/78/18/13/352781813.db2.gz OMDAKCRUIRJMCR-XVNBXDOJSA-N 0 0 181.235 1.603 10 0 ADAERN N[C@H](c1cnsc1)c1ccsn1 575581315 352781877 /nfs/dbraw/zinc/78/18/77/352781877.db2.gz NKQBPJMNHVNFLZ-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN N[C@H](c1ccsn1)c1ccns1 575581279 352781884 /nfs/dbraw/zinc/78/18/84/352781884.db2.gz NHQCNLOBWFIHQN-SSDOTTSWSA-N 0 0 197.288 1.648 10 0 ADAERN C[C@@H]1C[C@@H]1c1ncsc1N 575581277 352781890 /nfs/dbraw/zinc/78/18/90/352781890.db2.gz NGUMKPUJYVLPPJ-UHNVWZDZSA-N 0 0 154.238 1.849 10 0 ADAERN C[C@@H]1C[C@H]1c1ncsc1N 575581276 352782071 /nfs/dbraw/zinc/78/20/71/352782071.db2.gz NGUMKPUJYVLPPJ-RFZPGFLSSA-N 0 0 154.238 1.849 10 0 ADAERN N[C@@H](c1cnsc1)c1ccsn1 575581316 352782077 /nfs/dbraw/zinc/78/20/77/352782077.db2.gz NKQBPJMNHVNFLZ-ZETCQYMHSA-N 0 0 197.288 1.648 10 0 ADAERN C[C@H]1C[C@H]1c1ncsc1N 575581275 352782166 /nfs/dbraw/zinc/78/21/66/352782166.db2.gz NGUMKPUJYVLPPJ-CRCLSJGQSA-N 0 0 154.238 1.849 10 0 ADAERN Nc1cnc(N2CCC23CCC3)s1 575581353 352782199 /nfs/dbraw/zinc/78/21/99/352782199.db2.gz OJKWARVUEGKDJG-UHFFFAOYSA-N 0 0 195.291 1.858 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@@H]2CCC[C@H]21 575581539 352782672 /nfs/dbraw/zinc/78/26/72/352782672.db2.gz SHOHYFKFBDQXJH-ODAVYXMRSA-N 0 0 167.208 1.069 10 0 ADAERN Nc1scnc1[C@@H]1CC12CC2 575581497 352782772 /nfs/dbraw/zinc/78/27/72/352782772.db2.gz RYNCWPBZPZRWAA-YFKPBYRVSA-N 0 0 166.249 1.993 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@@H]2CCC[C@@H]21 575581540 352782824 /nfs/dbraw/zinc/78/28/24/352782824.db2.gz SHOHYFKFBDQXJH-VEVSIANRSA-N 0 0 167.208 1.069 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@H]2CCC[C@@H]21 575581541 352782875 /nfs/dbraw/zinc/78/28/75/352782875.db2.gz SHOHYFKFBDQXJH-VWFQECGMSA-N 0 0 167.208 1.069 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@H]2CCC[C@H]21 575581538 352782978 /nfs/dbraw/zinc/78/29/78/352782978.db2.gz SHOHYFKFBDQXJH-IVZJMYDKSA-N 0 0 167.208 1.069 10 0 ADAERN Nc1scnc1[C@H]1CC12CC2 575581496 352783046 /nfs/dbraw/zinc/78/30/46/352783046.db2.gz RYNCWPBZPZRWAA-RXMQYKEDSA-N 0 0 166.249 1.993 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1CCC12CCCC2 575581686 352783307 /nfs/dbraw/zinc/78/33/07/352783307.db2.gz VRALJLLSKVTEST-QMMMGPOBSA-N 0 0 183.251 1.478 10 0 ADAERN C[C@H](C(=O)[O-])[N@@H+]1CCC12CCCC2 575581685 352783488 /nfs/dbraw/zinc/78/34/88/352783488.db2.gz VRALJLLSKVTEST-MRVPVSSYSA-N 0 0 183.251 1.478 10 0 ADAERN Cc1nn(CCCF)cc1N 575581961 352784792 /nfs/dbraw/zinc/78/47/92/352784792.db2.gz BAICIRGMCHFILE-UHFFFAOYSA-N 0 0 157.192 1.133 10 0 ADAERN Nc1nc([C@H]2CCCC23CC3)ns1 575581751 352784165 /nfs/dbraw/zinc/78/41/65/352784165.db2.gz XEZZFVQNURTZII-ZCFIWIBFSA-N 0 0 195.291 1.998 10 0 ADAERN Cc1nn(C)c(N[C@H](C)CF)c1N 575581962 352784793 /nfs/dbraw/zinc/78/47/93/352784793.db2.gz BBWCQWOYKPJNAM-RXMQYKEDSA-N 0 0 186.234 1.081 10 0 ADAERN Nc1nc([C@@H]2CCCC23CC3)ns1 575581750 352784312 /nfs/dbraw/zinc/78/43/12/352784312.db2.gz XEZZFVQNURTZII-LURJTMIESA-N 0 0 195.291 1.998 10 0 ADAERN C[C@@H](CF)Nc1ccc(N)c(N)c1 575581927 352784781 /nfs/dbraw/zinc/78/47/81/352784781.db2.gz ALDFDFKBVOCDPX-LURJTMIESA-N 0 0 183.230 1.621 10 0 ADAERN Cc1nn(C)c(N[C@@H](C)CF)c1N 575581964 352784790 /nfs/dbraw/zinc/78/47/90/352784790.db2.gz BBWCQWOYKPJNAM-YFKPBYRVSA-N 0 0 186.234 1.081 10 0 ADAERN C[C@H](CF)Nc1ccc(N)c(N)c1 575581928 352785313 /nfs/dbraw/zinc/78/53/13/352785313.db2.gz ALDFDFKBVOCDPX-ZCFIWIBFSA-N 0 0 183.230 1.621 10 0 ADAERN O=Cc1ccc(N2CCC2)cn1 575582034 352785816 /nfs/dbraw/zinc/78/58/16/352785816.db2.gz BSUGLINVBUXJND-UHFFFAOYSA-N 0 0 162.192 1.104 10 0 ADAERN CCc1c[nH]c(N2CC[C@@H]3C[C@@H]32)n1 575582115 352786005 /nfs/dbraw/zinc/78/60/05/352786005.db2.gz AQDRVTXMCGAXSI-APPZFPTMSA-N 0 0 177.251 1.571 10 0 ADAERN C=CC(=O)Nc1cccc(N)c1C 575582037 352786037 /nfs/dbraw/zinc/78/60/37/352786037.db2.gz BUQFBEQSIKMTRP-UHFFFAOYSA-N 0 0 176.219 1.702 10 0 ADAERN CCc1c[nH]c(N2CC[C@H]3C[C@H]32)n1 575582130 352786254 /nfs/dbraw/zinc/78/62/54/352786254.db2.gz AQDRVTXMCGAXSI-IONNQARKSA-N 0 0 177.251 1.571 10 0 ADAERN O=c1cc2c(n[nH]1)C1(CC2)CC1 575582214 352786570 /nfs/dbraw/zinc/78/65/70/352786570.db2.gz DONMLRNMBUMEHU-UHFFFAOYSA-N 0 0 162.192 1.160 10 0 ADAERN Cc1ncc(-c2c[nH]c(=O)cn2)s1 575582148 352786598 /nfs/dbraw/zinc/78/65/98/352786598.db2.gz BPMFIFRHKZQEDP-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN S=c1[nH]ccn1Cc1ncccn1 575582144 352786602 /nfs/dbraw/zinc/78/66/02/352786602.db2.gz ASUYGPJULGAFPO-UHFFFAOYSA-N 0 0 192.247 1.010 10 0 ADAERN O=C([O-])/C=C/[NH+]1CCC2(CC1)CC2 575582232 352786981 /nfs/dbraw/zinc/78/69/81/352786981.db2.gz DAWQHXDGXVQIAH-LZCJLJQNSA-N 0 0 181.235 1.461 10 0 ADAERN Cc1ncsc1-c1ncc[nH]c1=O 575582244 352787094 /nfs/dbraw/zinc/78/70/94/352787094.db2.gz FKLZTSAODVELJV-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN CN1C(=S)N=NC1[C@]1(C)CC1(C)C 575582392 352787333 /nfs/dbraw/zinc/78/73/33/352787333.db2.gz JBZYTECKNYQWKS-VIFPVBQESA-N 0 0 197.307 1.791 10 0 ADAERN CN1C(=S)N=NC1[C@@]1(C)CC1(C)C 575582391 352787550 /nfs/dbraw/zinc/78/75/50/352787550.db2.gz JBZYTECKNYQWKS-SECBINFHSA-N 0 0 197.307 1.791 10 0 ADAERN Cc1ncsc1-c1cc(=O)[nH]cn1 575582286 352787630 /nfs/dbraw/zinc/78/76/30/352787630.db2.gz GDUVNSSDCXXIGY-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN CCC1N=NC(=S)N1[C@@]1(C)C[C@H]1C 575582317 352787669 /nfs/dbraw/zinc/78/76/69/352787669.db2.gz HJQDMKCEZLCEAD-MUWHJKNJSA-N 0 0 197.307 1.884 10 0 ADAERN CCC1N=NC(=S)N1[C@]1(C)C[C@H]1C 575582315 352787826 /nfs/dbraw/zinc/78/78/26/352787826.db2.gz HJQDMKCEZLCEAD-HZGVNTEJSA-N 0 0 197.307 1.884 10 0 ADAERN CCC1N=NC(=S)N1[C@@]1(C)C[C@@H]1C 575582320 352787852 /nfs/dbraw/zinc/78/78/52/352787852.db2.gz HJQDMKCEZLCEAD-RCOVLWMOSA-N 0 0 197.307 1.884 10 0 ADAERN CCC1N=NC(=S)N1[C@]1(C)C[C@@H]1C 575582316 352787923 /nfs/dbraw/zinc/78/79/23/352787923.db2.gz HJQDMKCEZLCEAD-IMTBSYHQSA-N 0 0 197.307 1.884 10 0 ADAERN CC(C)c1nc(CNN)cs1 575582403 352788281 /nfs/dbraw/zinc/78/82/81/352788281.db2.gz JMPWWTVGISDSOQ-UHFFFAOYSA-N 0 0 171.269 1.230 10 0 ADAERN O=C1N=NC([C@@]23CCC[C@@H]2C3)O1 575582549 352788299 /nfs/dbraw/zinc/78/82/99/352788299.db2.gz KYMXSJAUXGWFLX-SVGQVSJJSA-N 0 0 166.180 1.217 10 0 ADAERN CC1(C)CC(c2nnc(CN)s2)C1 575582418 352788401 /nfs/dbraw/zinc/78/84/01/352788401.db2.gz FIRUPAUBDJWYRT-UHFFFAOYSA-N 0 0 197.307 1.900 10 0 ADAERN Cc1cccc(-n2nccc2N)n1 575582575 352788508 /nfs/dbraw/zinc/78/85/08/352788508.db2.gz GTSBJBAGXGOQFF-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN C/C=C/[C@H](NN)c1cscn1 575582410 352788558 /nfs/dbraw/zinc/78/85/58/352788558.db2.gz KOBPMPUOZAECFG-SZKDQXIBSA-N 0 0 169.253 1.224 10 0 ADAERN O=C1N=NC([C@]23CCC[C@H]2C3)O1 575582552 352788589 /nfs/dbraw/zinc/78/85/89/352788589.db2.gz KYMXSJAUXGWFLX-XNCJUZBTSA-N 0 0 166.180 1.217 10 0 ADAERN C/C=C/[C@@H](NN)c1cscn1 575582539 352788626 /nfs/dbraw/zinc/78/86/26/352788626.db2.gz KOBPMPUOZAECFG-YRFDSLTASA-N 0 0 169.253 1.224 10 0 ADAERN CN1C(=S)N=NC1[C@@H]1C[C@H]1C1CC1 575582638 352789090 /nfs/dbraw/zinc/78/90/90/352789090.db2.gz OGKXCGMISVMJLQ-NKWVEPMBSA-N 0 0 195.291 1.617 10 0 ADAERN CN1C(=S)N=NC1[C@@H]1C[C@@H]1C1CC1 575582639 352789247 /nfs/dbraw/zinc/78/92/47/352789247.db2.gz OGKXCGMISVMJLQ-RNFRBKRXSA-N 0 0 195.291 1.617 10 0 ADAERN Cc1ncc(-c2cncc(=O)[nH]2)s1 575582619 352789268 /nfs/dbraw/zinc/78/92/68/352789268.db2.gz 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352789790 /nfs/dbraw/zinc/78/97/90/352789790.db2.gz IFWBARYQWWPWOY-MHYGZLNHSA-N 0 0 180.251 1.992 10 0 ADAERN C[C@@H]1CN(c2ccc(N)cn2)[C@@H]1C 575582858 352789809 /nfs/dbraw/zinc/78/98/09/352789809.db2.gz IOBGTEUBRPDICN-HTQZYQBOSA-N 0 0 177.251 1.508 10 0 ADAERN C[C@H](N)c1ncc([C@@]2(C)C[C@H]2C)o1 575582849 352789926 /nfs/dbraw/zinc/78/99/26/352789926.db2.gz IFWBARYQWWPWOY-FWWHASMVSA-N 0 0 180.251 1.992 10 0 ADAERN C[C@H](N)c1ncc([C@]2(C)C[C@H]2C)o1 575582850 352789993 /nfs/dbraw/zinc/78/99/93/352789993.db2.gz IFWBARYQWWPWOY-MATHAZKKSA-N 0 0 180.251 1.992 10 0 ADAERN C[C@H]1CN(c2ccc(N)cn2)[C@H]1C 575582861 352790039 /nfs/dbraw/zinc/79/00/39/352790039.db2.gz IOBGTEUBRPDICN-YUMQZZPRSA-N 0 0 177.251 1.508 10 0 ADAERN C[C@H]1CN(c2ccc(N)cn2)[C@@H]1C 575582859 352790172 /nfs/dbraw/zinc/79/01/72/352790172.db2.gz IOBGTEUBRPDICN-JGVFFNPUSA-N 0 0 177.251 1.508 10 0 ADAERN Cn1[nH]c([C@H]2C[C@@H]2C2CC2)nc1=S 575582950 352790500 /nfs/dbraw/zinc/79/05/00/352790500.db2.gz WLROAQASJWDVIF-RQJHMYQMSA-N 0 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/nfs/dbraw/zinc/79/07/47/352790747.db2.gz ILQZGHNOJOOKCC-UHFFFAOYSA-N 0 0 172.187 1.889 10 0 ADAERN C[C@H]1C[C@@]1(C)c1nc(=S)n(C)[nH]1 575582954 352790788 /nfs/dbraw/zinc/79/07/88/352790788.db2.gz WSMVKKDROADZSE-YLWLKBPMSA-N 0 0 183.280 1.775 10 0 ADAERN CN(c1ncc[nH]1)[C@@H]1CCCSC1 575582988 352790807 /nfs/dbraw/zinc/79/08/07/352790807.db2.gz ZKZYUILDPCMACI-MRVPVSSYSA-N 0 0 197.307 1.742 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nc(=S)n(C)[nH]1 575582953 352790888 /nfs/dbraw/zinc/79/08/88/352790888.db2.gz WSMVKKDROADZSE-XRGYYRRGSA-N 0 0 183.280 1.775 10 0 ADAERN CN(c1ncc[nH]1)[C@H]1CCCSC1 575582989 352790929 /nfs/dbraw/zinc/79/09/29/352790929.db2.gz ZKZYUILDPCMACI-QMMMGPOBSA-N 0 0 197.307 1.742 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncccc1N 575583164 352791324 /nfs/dbraw/zinc/79/13/24/352791324.db2.gz KUBCDHRMZFRAKK-SFYZADRCSA-N 0 0 177.251 1.508 10 0 ADAERN C/C=C/Cn1cc(N)c(C)n1 575583061 352791367 /nfs/dbraw/zinc/79/13/67/352791367.db2.gz JDVHPGGHYNOBHI-ONEGZZNKSA-N 0 0 151.213 1.350 10 0 ADAERN 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575584068 352795140 /nfs/dbraw/zinc/79/51/40/352795140.db2.gz RVZDHNGMXBYOEE-SNVBAGLBSA-N 0 0 180.251 1.821 10 0 ADAERN Cc1c(N)cccc1NC#N 575584054 352795239 /nfs/dbraw/zinc/79/52/39/352795239.db2.gz RSJLAMZDLYKHEM-UHFFFAOYSA-N 0 0 147.181 1.470 10 0 ADAERN C[C@@H]1C(=O)CCN([C@@H](C)CF)[C@H]1C 575584010 352795272 /nfs/dbraw/zinc/79/52/72/352795272.db2.gz RBEVPNYEPBKOMI-CIUDSAMLSA-N 0 0 187.258 1.644 10 0 ADAERN CC1CN(c2ccc(C=O)nc2)C1 575583993 352795346 /nfs/dbraw/zinc/79/53/46/352795346.db2.gz QSDLZSKOVFRXCZ-UHFFFAOYSA-N 0 0 176.219 1.350 10 0 ADAERN C[C@@H]1C(=O)CCN([C@@H](C)CF)[C@@H]1C 575584013 352795400 /nfs/dbraw/zinc/79/54/00/352795400.db2.gz RBEVPNYEPBKOMI-XHNCKOQMSA-N 0 0 187.258 1.644 10 0 ADAERN C/C=C/C1(O)CCC(=O)CC1 575584198 352796208 /nfs/dbraw/zinc/79/62/08/352796208.db2.gz OIYBATGOKSXPRP-GORDUTHDSA-N 0 0 154.209 1.437 10 0 ADAERN C[C@@H](CF)N1CCC(=O)C[C@@H]1C 575584316 352796552 /nfs/dbraw/zinc/79/65/52/352796552.db2.gz UHBDFMYMDHYONS-YUMQZZPRSA-N 0 0 173.231 1.398 10 0 ADAERN C[C@@H](CF)N1CCC(=O)C[C@H]1C 575584314 352796779 /nfs/dbraw/zinc/79/67/79/352796779.db2.gz UHBDFMYMDHYONS-SFYZADRCSA-N 0 0 173.231 1.398 10 0 ADAERN O=c1[nH][nH]c(=S)n1C1(C2CC2)CC1 575584428 352796838 /nfs/dbraw/zinc/79/68/38/352796838.db2.gz CIBVDVOZLPOQEK-UHFFFAOYSA-N 0 0 197.263 1.172 10 0 ADAERN C[C@H](CF)N1CCC(=O)C[C@H]1C 575584312 352796865 /nfs/dbraw/zinc/79/68/65/352796865.db2.gz UHBDFMYMDHYONS-HTQZYQBOSA-N 0 0 173.231 1.398 10 0 ADAERN C[C@H]1CC(=O)CCN1[C@H](C)CF 575584313 352796936 /nfs/dbraw/zinc/79/69/36/352796936.db2.gz UHBDFMYMDHYONS-JGVFFNPUSA-N 0 0 173.231 1.398 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]3C[C@@H]3C2)n[nH]1 575584423 352797032 /nfs/dbraw/zinc/79/70/32/352797032.db2.gz BRJZZGOHVRWGQR-JIGDXULJSA-N 0 0 163.224 1.627 10 0 ADAERN Cc1nnc(C(C)(C)C(F)F)[nH]1 575584487 352797368 /nfs/dbraw/zinc/79/73/68/352797368.db2.gz NLZUGKZPEBBRAX-UHFFFAOYSA-N 0 0 175.182 1.656 10 0 ADAERN CC1(C)C[C@@H]1c1ncc[nH]c1=O 575584478 352797373 /nfs/dbraw/zinc/79/73/73/352797373.db2.gz MCZCFYQFSOEPQY-ZCFIWIBFSA-N 0 0 164.208 1.283 10 0 ADAERN CC(C)=CCn1cc(N)c(C)n1 575584520 352797379 /nfs/dbraw/zinc/79/73/79/352797379.db2.gz VVJCEMSTXWDXAX-UHFFFAOYSA-N 0 0 165.240 1.740 10 0 ADAERN C[C@H]1C[C@@]1(C)n1c(=O)[nH][nH]c1=S 575584493 352797462 /nfs/dbraw/zinc/79/74/62/352797462.db2.gz NWYQJNLDDAQUIW-MHTLYPKNSA-N 0 0 185.252 1.027 10 0 ADAERN C[C@@H]1C[C@]1(C)n1c(=O)[nH][nH]c1=S 575584491 352797498 /nfs/dbraw/zinc/79/74/98/352797498.db2.gz NWYQJNLDDAQUIW-FBCQKBJTSA-N 0 0 185.252 1.027 10 0 ADAERN CC1CC(Cn2cc[nH]c2=O)C1 575584476 352797525 /nfs/dbraw/zinc/79/75/25/352797525.db2.gz LYPNRCWKMTZIFA-UHFFFAOYSA-N 0 0 166.224 1.635 10 0 ADAERN C[C@H]1C[C@]1(C)n1c(=O)[nH][nH]c1=S 575584492 352797566 /nfs/dbraw/zinc/79/75/66/352797566.db2.gz NWYQJNLDDAQUIW-FFWSUHOLSA-N 0 0 185.252 1.027 10 0 ADAERN Cc1nn(C/C=C/Cl)cc1N 575584527 352797631 /nfs/dbraw/zinc/79/76/31/352797631.db2.gz WDBJLLHDTNWXCU-NSCUHMNNSA-N 0 0 171.631 1.526 10 0 ADAERN C[C@@H]1C[C@@]1(C)n1c(=O)[nH][nH]c1=S 575584490 352797653 /nfs/dbraw/zinc/79/76/53/352797653.db2.gz NWYQJNLDDAQUIW-CLZZGJSISA-N 0 0 185.252 1.027 10 0 ADAERN CC1(C)C[C@H]1c1ncc[nH]c1=O 575584477 352797660 /nfs/dbraw/zinc/79/76/60/352797660.db2.gz MCZCFYQFSOEPQY-LURJTMIESA-N 0 0 164.208 1.283 10 0 ADAERN Cc1nc([C@@H](C)O)[nH]c1C 575584662 352798207 /nfs/dbraw/zinc/79/82/07/352798207.db2.gz WKZIFZWFWPAGBN-ZCFIWIBFSA-N 0 0 140.186 1.080 10 0 ADAERN C[C@H]1CN(c2cccnc2N)[C@@H]1C 575584645 352798225 /nfs/dbraw/zinc/79/82/25/352798225.db2.gz WZAPFMNVSJMMOD-JGVFFNPUSA-N 0 0 177.251 1.508 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cccnc1N 575584648 352798245 /nfs/dbraw/zinc/79/82/45/352798245.db2.gz WZAPFMNVSJMMOD-SFYZADRCSA-N 0 0 177.251 1.508 10 0 ADAERN O=Cc1ccc(N2CC[C@@H]3C[C@@H]32)o1 575584754 352798300 /nfs/dbraw/zinc/79/83/00/352798300.db2.gz QEQCRWWYCNRUOC-APPZFPTMSA-N 0 0 177.203 1.691 10 0 ADAERN C1C[C@H](c2nn[nH]n2)C2(C1)CC2 575584665 352798268 /nfs/dbraw/zinc/79/82/68/352798268.db2.gz WORZFXXQIKSSMR-ZCFIWIBFSA-N 0 0 164.212 1.247 10 0 ADAERN C[C@@H]1CN(c2cccnc2N)[C@@H]1C 575584642 352798416 /nfs/dbraw/zinc/79/84/16/352798416.db2.gz WZAPFMNVSJMMOD-HTQZYQBOSA-N 0 0 177.251 1.508 10 0 ADAERN O=Cc1ccc(N2CC[C@H]3C[C@H]32)o1 575584756 352798421 /nfs/dbraw/zinc/79/84/21/352798421.db2.gz QEQCRWWYCNRUOC-IONNQARKSA-N 0 0 177.203 1.691 10 0 ADAERN Cc1nnc(C(C)(C)C(F)(F)F)[nH]1 575584695 352798425 /nfs/dbraw/zinc/79/84/25/352798425.db2.gz XQUKVMUWWPAWAD-UHFFFAOYSA-N 0 0 193.172 1.953 10 0 ADAERN C1C[C@@H](c2nn[nH]n2)C2(C1)CC2 575584664 352798454 /nfs/dbraw/zinc/79/84/54/352798454.db2.gz WORZFXXQIKSSMR-LURJTMIESA-N 0 0 164.212 1.247 10 0 ADAERN C[C@H]1CN(c2cccnc2N)[C@H]1C 575584653 352798511 /nfs/dbraw/zinc/79/85/11/352798511.db2.gz WZAPFMNVSJMMOD-YUMQZZPRSA-N 0 0 177.251 1.508 10 0 ADAERN c1c[nH]c(N2CCC3(CC2)CC3)n1 575584692 352798559 /nfs/dbraw/zinc/79/85/59/352798559.db2.gz XMIPXCWYGPWYII-UHFFFAOYSA-N 0 0 177.251 1.790 10 0 ADAERN Cc1nc([C@H](C)O)[nH]c1C 575584658 352798573 /nfs/dbraw/zinc/79/85/73/352798573.db2.gz WKZIFZWFWPAGBN-LURJTMIESA-N 0 0 140.186 1.080 10 0 ADAERN C[C@H]1C[C@@]1(C)c1nnc(CN)s1 575584884 352798825 /nfs/dbraw/zinc/79/88/25/352798825.db2.gz YJOZAXOIGNIPOH-YLWLKBPMSA-N 0 0 183.280 1.294 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1cnc(CN)o1 575584856 352798887 /nfs/dbraw/zinc/79/88/87/352798887.db2.gz XVLOBAZNUUIHOD-HZGVNTEJSA-N 0 0 166.224 1.431 10 0 ADAERN C[C@H]1C[C@@]1(C)c1cnc(CN)o1 575584857 352798910 /nfs/dbraw/zinc/79/89/10/352798910.db2.gz XVLOBAZNUUIHOD-IMTBSYHQSA-N 0 0 166.224 1.431 10 0 ADAERN O=C(c1cc[nH]c1)[C@H]1CC12CC2 575584825 352798920 /nfs/dbraw/zinc/79/89/20/352798920.db2.gz RKALWMJVCDSNFS-MRVPVSSYSA-N 0 0 161.204 1.998 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nnc(CN)s1 575584883 352798940 /nfs/dbraw/zinc/79/89/40/352798940.db2.gz YJOZAXOIGNIPOH-XRGYYRRGSA-N 0 0 183.280 1.294 10 0 ADAERN O=C(c1cc[nH]c1)[C@@H]1CC12CC2 575584826 352799054 /nfs/dbraw/zinc/79/90/54/352799054.db2.gz RKALWMJVCDSNFS-QMMMGPOBSA-N 0 0 161.204 1.998 10 0 ADAERN C[C@H]1C[C@]1(C)c1cnc(CN)o1 575584859 352799184 /nfs/dbraw/zinc/79/91/84/352799184.db2.gz XVLOBAZNUUIHOD-RCOVLWMOSA-N 0 0 166.224 1.431 10 0 ADAERN C[C@H]1C[C@]1(C)c1nnc(CN)s1 575584882 352799248 /nfs/dbraw/zinc/79/92/48/352799248.db2.gz YJOZAXOIGNIPOH-XNCJUZBTSA-N 0 0 183.280 1.294 10 0 ADAERN C[C@@H]1C[C@]1(C)c1cnc(CN)o1 575584858 352799394 /nfs/dbraw/zinc/79/93/94/352799394.db2.gz XVLOBAZNUUIHOD-MUWHJKNJSA-N 0 0 166.224 1.431 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1nnc(CN)s1 575584881 352799422 /nfs/dbraw/zinc/79/94/22/352799422.db2.gz YJOZAXOIGNIPOH-SVGQVSJJSA-N 0 0 183.280 1.294 10 0 ADAERN C[C@H]1C[C@]1(C)CN1CCC(=O)C1 575585160 352800663 /nfs/dbraw/zinc/80/06/63/352800663.db2.gz BQRANHCZLAZDJN-WCBMZHEXSA-N 0 0 167.252 1.307 10 0 ADAERN O=Cc1ccc(-n2cccn2)cn1 575585254 352800703 /nfs/dbraw/zinc/80/07/03/352800703.db2.gz DNGRDMKCQWLIKR-UHFFFAOYSA-N 0 0 173.175 1.080 10 0 ADAERN CC1(n2cc[nH]c2=O)CC=CC1 575585245 352800758 /nfs/dbraw/zinc/80/07/58/352800758.db2.gz ADFRRXYCEPHDNI-UHFFFAOYSA-N 0 0 164.208 1.654 10 0 ADAERN Nc1ccccc1NC1CSC1 575585154 352800772 /nfs/dbraw/zinc/80/07/72/352800772.db2.gz BOELOZZUOUMDTQ-UHFFFAOYSA-N 0 0 180.276 1.796 10 0 ADAERN Nc1noc(-c2cccnn2)c1Cl 575585067 352800799 /nfs/dbraw/zinc/80/07/99/352800799.db2.gz UDRXYADYSWFSBG-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN C[C@H]1C[C@@]1(C)CN1CCC(=O)C1 575585162 352800956 /nfs/dbraw/zinc/80/09/56/352800956.db2.gz BQRANHCZLAZDJN-WPRPVWTQSA-N 0 0 167.252 1.307 10 0 ADAERN C[C@@H]1C[C@]1(C)CN1CCC(=O)C1 575585157 352801094 /nfs/dbraw/zinc/80/10/94/352801094.db2.gz BQRANHCZLAZDJN-PSASIEDQSA-N 0 0 167.252 1.307 10 0 ADAERN C[C@@H]1C[C@@]1(C)CN1CCC(=O)C1 575585159 352801289 /nfs/dbraw/zinc/80/12/89/352801289.db2.gz BQRANHCZLAZDJN-SCZZXKLOSA-N 0 0 167.252 1.307 10 0 ADAERN CN1C(=S)N=NC1[C@@H]1CC12CC2 575585267 352801619 /nfs/dbraw/zinc/80/16/19/352801619.db2.gz BLMGADHWBYYIER-YFKPBYRVSA-N 0 0 181.264 1.371 10 0 ADAERN CC1(C)CC(C2N=NC(=S)N2N)C1 575585394 352801621 /nfs/dbraw/zinc/80/16/21/352801621.db2.gz WIPYANGEEYVPLC-UHFFFAOYSA-N 0 0 198.295 1.184 10 0 ADAERN Cc1c[nH]c(N2CC[C@@H](F)C2)n1 575585402 352801627 /nfs/dbraw/zinc/80/16/27/352801627.db2.gz XLBAZQVREXSXGH-SSDOTTSWSA-N 0 0 169.203 1.266 10 0 ADAERN Cn1[nH]c([C@@H]2CC23CC3)nc1=S 575585397 352801647 /nfs/dbraw/zinc/80/16/47/352801647.db2.gz XBHVLFFLXIMHNC-YFKPBYRVSA-N 0 0 181.264 1.745 10 0 ADAERN Cc1ncc(-c2ncc[nH]c2=O)s1 575585277 352801662 /nfs/dbraw/zinc/80/16/62/352801662.db2.gz CIWBWLKCLDNJFB-UHFFFAOYSA-N 0 0 193.231 1.202 10 0 ADAERN C[C@H](C1CCC1)C1N=NC(=S)N1N 575585274 352801690 /nfs/dbraw/zinc/80/16/90/352801690.db2.gz CEJUKJRYZDKCEU-RXMQYKEDSA-N 0 0 198.295 1.184 10 0 ADAERN Cn1[nH]c([C@H]2CC23CC3)nc1=S 575585396 352801836 /nfs/dbraw/zinc/80/18/36/352801836.db2.gz XBHVLFFLXIMHNC-RXMQYKEDSA-N 0 0 181.264 1.745 10 0 ADAERN Cc1c[nH]c(N2CC[C@H](F)C2)n1 575585408 352801722 /nfs/dbraw/zinc/80/17/22/352801722.db2.gz XLBAZQVREXSXGH-ZETCQYMHSA-N 0 0 169.203 1.266 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1CCC12CCC2 575585404 352801735 /nfs/dbraw/zinc/80/17/35/352801735.db2.gz UTEKMIUFNLCSLG-QHHAFSJGSA-N 0 0 167.208 1.213 10 0 ADAERN CN1C(=S)N=NC1[C@H]1CC12CC2 575585263 352801806 /nfs/dbraw/zinc/80/18/06/352801806.db2.gz BLMGADHWBYYIER-RXMQYKEDSA-N 0 0 181.264 1.371 10 0 ADAERN CC1CC(C2N=NC(=S)N2C)C1 575585281 352801813 /nfs/dbraw/zinc/80/18/13/352801813.db2.gz DXBAKFUSQLMXES-UHFFFAOYSA-N 0 0 183.280 1.617 10 0 ADAERN Cc1c[nH]c(N2C[C@@H]3CCC[C@@H]32)n1 575585391 352801841 /nfs/dbraw/zinc/80/18/41/352801841.db2.gz VCRZMICJBPEKCY-IUCAKERBSA-N 0 0 177.251 1.707 10 0 ADAERN Cc1c[nH]c(N2C[C@H]3CCC[C@H]32)n1 575585393 352801877 /nfs/dbraw/zinc/80/18/77/352801877.db2.gz VCRZMICJBPEKCY-RKDXNWHRSA-N 0 0 177.251 1.707 10 0 ADAERN C[C@@H](C1CCC1)C1N=NC(=S)N1N 575585275 352801903 /nfs/dbraw/zinc/80/19/03/352801903.db2.gz CEJUKJRYZDKCEU-YFKPBYRVSA-N 0 0 198.295 1.184 10 0 ADAERN c1cc(-c2n[nH]c(C3CC3)n2)sn1 575585280 352801906 /nfs/dbraw/zinc/80/19/06/352801906.db2.gz DBPXSWXYQONJIM-UHFFFAOYSA-N 0 0 192.247 1.806 10 0 ADAERN Cc1c[nH]c(N2C[C@@H]3CCC[C@H]32)n1 575585390 352801942 /nfs/dbraw/zinc/80/19/42/352801942.db2.gz VCRZMICJBPEKCY-DTWKUNHWSA-N 0 0 177.251 1.707 10 0 ADAERN CC1CC(Cn2c(=O)[nH][nH]c2=S)C1 575585258 352801969 /nfs/dbraw/zinc/80/19/69/352801969.db2.gz BBJMRNLPDKOXFD-UHFFFAOYSA-N 0 0 199.279 1.319 10 0 ADAERN CCC1CN(C2=NC(=O)CS2)C1 575585416 352802083 /nfs/dbraw/zinc/80/20/83/352802083.db2.gz YEDHWZVALVWSTO-UHFFFAOYSA-N 0 0 184.264 1.695 10 0 ADAERN Cc1c[nH]c(N2C[C@H]3CCC[C@@H]32)n1 575585388 352802106 /nfs/dbraw/zinc/80/21/06/352802106.db2.gz VCRZMICJBPEKCY-BDAKNGLRSA-N 0 0 177.251 1.707 10 0 ADAERN FC(F)C1(c2n[n-]c(=S)o2)CC1 575585282 352802138 /nfs/dbraw/zinc/80/21/38/352802138.db2.gz FVHIPRCVLOIHIJ-UHFFFAOYSA-N 0 0 192.190 1.655 10 0 ADAERN Nc1cnc(N2C[C@H]3CCC[C@@H]32)s1 575585540 352802459 /nfs/dbraw/zinc/80/24/59/352802459.db2.gz VXDMQPLDYFJRSH-RQJHMYQMSA-N 0 0 195.291 1.714 10 0 ADAERN Nc1cnc(N2C[C@@H]3CCC[C@@H]32)s1 575585530 352802475 /nfs/dbraw/zinc/80/24/75/352802475.db2.gz VXDMQPLDYFJRSH-BQBZGAKWSA-N 0 0 195.291 1.714 10 0 ADAERN C/C=C/[C@H](NN)c1cncs1 575585543 352802494 /nfs/dbraw/zinc/80/24/94/352802494.db2.gz HLLCKCWOCLWQDF-SZKDQXIBSA-N 0 0 169.253 1.224 10 0 ADAERN C/C=C/[C@@H](NN)c1cncs1 575585545 352802615 /nfs/dbraw/zinc/80/26/15/352802615.db2.gz HLLCKCWOCLWQDF-YRFDSLTASA-N 0 0 169.253 1.224 10 0 ADAERN Nc1cccc(F)c1NC1CSC1 575585520 352802647 /nfs/dbraw/zinc/80/26/47/352802647.db2.gz GJWQAZKWJOLHMM-UHFFFAOYSA-N 0 0 198.266 1.935 10 0 ADAERN CC1(Nc2ncccn2)CC=CC1 575585522 352802652 /nfs/dbraw/zinc/80/26/52/352802652.db2.gz GKJAAJXDGVAZEG-UHFFFAOYSA-N 0 0 175.235 1.997 10 0 ADAERN Nc1cnc(N2C[C@H]3CCC[C@H]32)s1 575585537 352802699 /nfs/dbraw/zinc/80/26/99/352802699.db2.gz VXDMQPLDYFJRSH-RNFRBKRXSA-N 0 0 195.291 1.714 10 0 ADAERN Nc1ccc(NC2CSC2)nc1 575585519 352802781 /nfs/dbraw/zinc/80/27/81/352802781.db2.gz GITYDSLPIRWKAP-UHFFFAOYSA-N 0 0 181.264 1.191 10 0 ADAERN Nc1cnc(N2C[C@@H]3CCC[C@H]32)s1 575585536 352802822 /nfs/dbraw/zinc/80/28/22/352802822.db2.gz VXDMQPLDYFJRSH-NKWVEPMBSA-N 0 0 195.291 1.714 10 0 ADAERN Nc1cccnc1NC1CSC1 575585669 352803310 /nfs/dbraw/zinc/80/33/10/352803310.db2.gz KFAMLKUGPBFDNX-UHFFFAOYSA-N 0 0 181.264 1.191 10 0 ADAERN CCc1nc([C@H](C)NN)cs1 575585655 352803318 /nfs/dbraw/zinc/80/33/18/352803318.db2.gz JJQPHCSVIDRJKU-YFKPBYRVSA-N 0 0 171.269 1.230 10 0 ADAERN CCc1nc([C@@H](C)NN)cs1 575585654 352803529 /nfs/dbraw/zinc/80/35/29/352803529.db2.gz JJQPHCSVIDRJKU-RXMQYKEDSA-N 0 0 171.269 1.230 10 0 ADAERN Cc1nc([C@H](C)NN)sc1C 575585571 352803572 /nfs/dbraw/zinc/80/35/72/352803572.db2.gz IDBLMTKXOJKCEA-YFKPBYRVSA-N 0 0 171.269 1.284 10 0 ADAERN CC1N=NC(=S)N1C1CSC1 575585563 352803657 /nfs/dbraw/zinc/80/36/57/352803657.db2.gz HZCDFIUKETZPGN-UHFFFAOYSA-N 0 0 187.293 1.163 10 0 ADAERN Cc1nc([C@@H](C)NN)sc1C 575585569 352803696 /nfs/dbraw/zinc/80/36/96/352803696.db2.gz IDBLMTKXOJKCEA-RXMQYKEDSA-N 0 0 171.269 1.284 10 0 ADAERN Nc1c(F)cccc1NC1CSC1 575585707 352803723 /nfs/dbraw/zinc/80/37/23/352803723.db2.gz LDXAZOPCWRPYOW-UHFFFAOYSA-N 0 0 198.266 1.935 10 0 ADAERN CCC(F)(F)c1n[nH]c(=S)n1C 575585599 352803769 /nfs/dbraw/zinc/80/37/69/352803769.db2.gz IXYKYJLKKBJSPV-UHFFFAOYSA-N 0 0 193.222 1.606 10 0 ADAERN Nc1ccc(F)cc1NC1CSC1 575585564 352803785 /nfs/dbraw/zinc/80/37/85/352803785.db2.gz IBCLCYJAOBZYMC-UHFFFAOYSA-N 0 0 198.266 1.935 10 0 ADAERN CC1CC(c2nc(=S)n(C)[nH]2)C1 575585775 352804488 /nfs/dbraw/zinc/80/44/88/352804488.db2.gz NCSZVRCXOYICMF-UHFFFAOYSA-N 0 0 183.280 1.991 10 0 ADAERN O=Cc1cnc([C@@H]2CC23CC3)o1 575585799 352804577 /nfs/dbraw/zinc/80/45/77/352804577.db2.gz XJNRUSUPPSPTFY-ZETCQYMHSA-N 0 0 163.176 1.755 10 0 ADAERN Nc1cccc(NC2CSC2)c1 575585739 352804605 /nfs/dbraw/zinc/80/46/05/352804605.db2.gz MJQCMFUOYBZLLQ-UHFFFAOYSA-N 0 0 180.276 1.796 10 0 ADAERN O=Cc1cnc([C@H]2CC23CC3)o1 575585798 352804611 /nfs/dbraw/zinc/80/46/11/352804611.db2.gz XJNRUSUPPSPTFY-SSDOTTSWSA-N 0 0 163.176 1.755 10 0 ADAERN CSCC(=O)[C@@H]1CC12CC2 575585983 352805411 /nfs/dbraw/zinc/80/54/11/352805411.db2.gz YJAAUZWCFIIIDE-LURJTMIESA-N 0 0 156.250 1.719 10 0 ADAERN Nc1ccc(NC2CSC2)c(F)c1 575585860 352805441 /nfs/dbraw/zinc/80/54/41/352805441.db2.gz OAAAVRZEEMNGRH-UHFFFAOYSA-N 0 0 198.266 1.935 10 0 ADAERN CC1(C)CCN1c1ncc(C=O)s1 575585982 352805504 /nfs/dbraw/zinc/80/55/04/352805504.db2.gz YIVMCRMPRZNRDZ-UHFFFAOYSA-N 0 0 196.275 1.944 10 0 ADAERN CSCC(=O)[C@H]1CC12CC2 575585984 352805562 /nfs/dbraw/zinc/80/55/62/352805562.db2.gz YJAAUZWCFIIIDE-ZCFIWIBFSA-N 0 0 156.250 1.719 10 0 ADAERN Nc1ncccc1NC1CSC1 575586034 352805821 /nfs/dbraw/zinc/80/58/21/352805821.db2.gz RVILKGPZLSZTQD-UHFFFAOYSA-N 0 0 181.264 1.191 10 0 ADAERN Nc1ccc(NC2CSC2)cc1N 575586067 352805834 /nfs/dbraw/zinc/80/58/34/352805834.db2.gz SVOPLBJBFJNTQB-UHFFFAOYSA-N 0 0 195.291 1.378 10 0 ADAERN Nc1cc(F)cc(NC2CSC2)c1 575586015 352806072 /nfs/dbraw/zinc/80/60/72/352806072.db2.gz RFITWRDYUIVRMS-UHFFFAOYSA-N 0 0 198.266 1.935 10 0 ADAERN O=Cc1cnc(N2CC[C@H]3C[C@H]32)s1 575586070 352806267 /nfs/dbraw/zinc/80/62/67/352806267.db2.gz ZLIRQSRUBYTJFL-POYBYMJQSA-N 0 0 194.259 1.554 10 0 ADAERN O=Cc1cnc(N2CC[C@@H]3C[C@@H]32)s1 575586078 352806317 /nfs/dbraw/zinc/80/63/17/352806317.db2.gz ZLIRQSRUBYTJFL-SVRRBLITSA-N 0 0 194.259 1.554 10 0 ADAERN CCN1C(=S)N=NC1[C@@]1(C)C[C@@H]1C 575586335 352806586 /nfs/dbraw/zinc/80/65/86/352806586.db2.gz XWXCBHVBTQNQAM-RCOVLWMOSA-N 0 0 197.307 1.884 10 0 ADAERN CCN1C(=S)N=NC1[C@]1(C)C[C@H]1C 575586332 352806658 /nfs/dbraw/zinc/80/66/58/352806658.db2.gz XWXCBHVBTQNQAM-HZGVNTEJSA-N 0 0 197.307 1.884 10 0 ADAERN CCN1C(=S)N=NC1[C@@]1(C)C[C@H]1C 575586334 352806662 /nfs/dbraw/zinc/80/66/62/352806662.db2.gz XWXCBHVBTQNQAM-MUWHJKNJSA-N 0 0 197.307 1.884 10 0 ADAERN CCN1C(=S)N=NC1[C@]1(C)C[C@@H]1C 575586333 352806748 /nfs/dbraw/zinc/80/67/48/352806748.db2.gz XWXCBHVBTQNQAM-IMTBSYHQSA-N 0 0 197.307 1.884 10 0 ADAERN Nc1cnc(NC2CSC2)s1 575586331 352806923 /nfs/dbraw/zinc/80/69/23/352806923.db2.gz XUGWDKRIXLLMTH-UHFFFAOYSA-N 0 0 187.293 1.253 10 0 ADAERN C[C@H](O)C(=O)[C@H]1CCCC[C@H]1C 575586452 352807423 /nfs/dbraw/zinc/80/74/23/352807423.db2.gz BXESZDJYDGDQCS-VGMNWLOBSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H](O)C(=O)[C@@H]1CCCC[C@H]1C 575586451 352807448 /nfs/dbraw/zinc/80/74/48/352807448.db2.gz BXESZDJYDGDQCS-HRDYMLBCSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H](O)C(=O)[C@H]1CCCC[C@@H]1C 575586450 352807537 /nfs/dbraw/zinc/80/75/37/352807537.db2.gz BXESZDJYDGDQCS-CIUDSAMLSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@H](O)C(=O)[C@@H]1CCCC[C@@H]1C 575586453 352807600 /nfs/dbraw/zinc/80/76/00/352807600.db2.gz BXESZDJYDGDQCS-XHNCKOQMSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H]1CCN1C(=O)c1sccc1N 575586570 352808298 /nfs/dbraw/zinc/80/82/98/352808298.db2.gz AKTBTDBBCMYLLV-ZCFIWIBFSA-N 0 0 196.275 1.565 10 0 ADAERN C[C@H]1CCN1C(=O)c1sccc1N 575586569 352808419 /nfs/dbraw/zinc/80/84/19/352808419.db2.gz AKTBTDBBCMYLLV-LURJTMIESA-N 0 0 196.275 1.565 10 0 ADAERN Cc1nc([C@@H]2CCC(=O)C2)cn1C 575586768 352809104 /nfs/dbraw/zinc/80/91/04/352809104.db2.gz HRXCETLIKFEJRX-MRVPVSSYSA-N 0 0 178.235 1.565 10 0 ADAERN Cc1nc(C(=O)C(C)(F)F)cn1C 575586804 352809125 /nfs/dbraw/zinc/80/91/25/352809125.db2.gz HZACPULTLOZSNF-UHFFFAOYSA-N 0 0 188.177 1.566 10 0 ADAERN Cc1nc(C(=O)C(C)(C)F)cn1C 575586751 352809131 /nfs/dbraw/zinc/80/91/31/352809131.db2.gz HJQRDUQUBLDYBJ-UHFFFAOYSA-N 0 0 184.214 1.659 10 0 ADAERN Cc1nc([C@H]2CCC(=O)C2)cn1C 575586769 352809183 /nfs/dbraw/zinc/80/91/83/352809183.db2.gz HRXCETLIKFEJRX-QMMMGPOBSA-N 0 0 178.235 1.565 10 0 ADAERN C[C@@H]1CCN1c1ccc(C=O)cn1 575586896 352809544 /nfs/dbraw/zinc/80/95/44/352809544.db2.gz DNONCQHZZYRJCB-MRVPVSSYSA-N 0 0 176.219 1.493 10 0 ADAERN CNc1cncc(N2CC[C@H]2C)n1 575586913 352809516 /nfs/dbraw/zinc/80/95/16/352809516.db2.gz DVALRUCACPFNJH-SSDOTTSWSA-N 0 0 178.239 1.117 10 0 ADAERN C[C@H]1CCN1c1ccc(C=O)cn1 575586897 352809872 /nfs/dbraw/zinc/80/98/72/352809872.db2.gz DNONCQHZZYRJCB-QMMMGPOBSA-N 0 0 176.219 1.493 10 0 ADAERN CNc1cncc(N2CC[C@@H]2C)n1 575586915 352809794 /nfs/dbraw/zinc/80/97/94/352809794.db2.gz DVALRUCACPFNJH-ZETCQYMHSA-N 0 0 178.239 1.117 10 0 ADAERN C[C@H]1CCN1C(=O)c1cc(N)cs1 575586939 352809838 /nfs/dbraw/zinc/80/98/38/352809838.db2.gz DZWZNLWNCCMEQO-LURJTMIESA-N 0 0 196.275 1.565 10 0 ADAERN C[C@@H]1CCN1c1ccc(C=O)o1 575586911 352809859 /nfs/dbraw/zinc/80/98/59/352809859.db2.gz DTOYPXZYPNDKLV-SSDOTTSWSA-N 0 0 165.192 1.691 10 0 ADAERN Cc1noc(CN2CC[C@@H]2C)c1N 575586891 352809884 /nfs/dbraw/zinc/80/98/84/352809884.db2.gz DMWYSTNWJHZIJS-LURJTMIESA-N 0 0 181.239 1.159 10 0 ADAERN Cc1noc(CN2CC[C@H]2C)c1N 575586893 352809896 /nfs/dbraw/zinc/80/98/96/352809896.db2.gz DMWYSTNWJHZIJS-ZCFIWIBFSA-N 0 0 181.239 1.159 10 0 ADAERN C[C@H]1CCN1c1ccc(C=O)o1 575586912 352809908 /nfs/dbraw/zinc/80/99/08/352809908.db2.gz DTOYPXZYPNDKLV-ZETCQYMHSA-N 0 0 165.192 1.691 10 0 ADAERN C[C@@H]1CCN1C(=O)c1cc(N)cs1 575586940 352809911 /nfs/dbraw/zinc/80/99/11/352809911.db2.gz DZWZNLWNCCMEQO-ZCFIWIBFSA-N 0 0 196.275 1.565 10 0 ADAERN C[C@H]1CCN1c1ncccc1C=O 575587102 352810162 /nfs/dbraw/zinc/81/01/62/352810162.db2.gz GHKGKLLFFSZRNJ-QMMMGPOBSA-N 0 0 176.219 1.493 10 0 ADAERN C[C@@H]1CCC[C@H]1Nc1cn(C)nn1 575587073 352810295 /nfs/dbraw/zinc/81/02/95/352810295.db2.gz ARZZARTZXYVKED-HTQZYQBOSA-N 0 0 180.255 1.416 10 0 ADAERN Cn1cc(NC[C@H]2CC2(C)C)cn1 575587099 352810441 /nfs/dbraw/zinc/81/04/41/352810441.db2.gz AZYOMSLKSFXXNY-MRVPVSSYSA-N 0 0 179.267 1.878 10 0 ADAERN C[C@@H]1CCC[C@@H]1Nc1cn(C)nn1 575587076 352810479 /nfs/dbraw/zinc/81/04/79/352810479.db2.gz ARZZARTZXYVKED-SFYZADRCSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H]1CCC[C@H]1Nc1cn(C)nn1 575587075 352810519 /nfs/dbraw/zinc/81/05/19/352810519.db2.gz ARZZARTZXYVKED-JGVFFNPUSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H]1CCC[C@@H]1Nc1cn(C)nn1 575587078 352810616 /nfs/dbraw/zinc/81/06/16/352810616.db2.gz ARZZARTZXYVKED-YUMQZZPRSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@@H]1CCN1c1ncccc1C=O 575587100 352810686 /nfs/dbraw/zinc/81/06/86/352810686.db2.gz GHKGKLLFFSZRNJ-MRVPVSSYSA-N 0 0 176.219 1.493 10 0 ADAERN Cn1cc(NC[C@@H]2CC2(C)C)cn1 575587101 352810694 /nfs/dbraw/zinc/81/06/94/352810694.db2.gz AZYOMSLKSFXXNY-QMMMGPOBSA-N 0 0 179.267 1.878 10 0 ADAERN c1nc(CC2CC2)c2c(n1)NCC2 575587225 352810918 /nfs/dbraw/zinc/81/09/18/352810918.db2.gz COGYYWYQGVJUBR-UHFFFAOYSA-N 0 0 175.235 1.474 10 0 ADAERN Cn1cnc(-c2cc[nH]c(=S)n2)c1 575587243 352810929 /nfs/dbraw/zinc/81/09/29/352810929.db2.gz BSEVFHMCSODKNK-UHFFFAOYSA-N 0 0 192.247 1.166 10 0 ADAERN Cc1nc([C@@]23CCC[C@@H]2C3)n[nH]1 575587252 352810938 /nfs/dbraw/zinc/81/09/38/352810938.db2.gz CLBCGYNXNJECKB-VXNVDRBHSA-N 0 0 163.224 1.555 10 0 ADAERN Cn1cc(NC[C@H]2CC2(C)C)nn1 575587228 352810991 /nfs/dbraw/zinc/81/09/91/352810991.db2.gz CRMVJBXWABXYFG-SSDOTTSWSA-N 0 0 180.255 1.273 10 0 ADAERN Cc1nc([C@]23CCC[C@H]2C3)n[nH]1 575587245 352811006 /nfs/dbraw/zinc/81/10/06/352811006.db2.gz CLBCGYNXNJECKB-CBAPKCEASA-N 0 0 163.224 1.555 10 0 ADAERN CC1(C)C[C@]1(C)c1nc(CO)c[nH]1 575587263 352811091 /nfs/dbraw/zinc/81/10/91/352811091.db2.gz CRWZWLUQHRTCLA-SNVBAGLBSA-N 0 0 180.251 1.590 10 0 ADAERN C[C@@H]1CCN1c1ccc(C=O)nc1 575587255 352811113 /nfs/dbraw/zinc/81/11/13/352811113.db2.gz HWGAPEQSHKZFLI-MRVPVSSYSA-N 0 0 176.219 1.493 10 0 ADAERN CC1(C)C[C@@]1(C)c1nc(CO)c[nH]1 575587261 352811119 /nfs/dbraw/zinc/81/11/19/352811119.db2.gz CRWZWLUQHRTCLA-JTQLQIEISA-N 0 0 180.251 1.590 10 0 ADAERN CC(=O)CN1CCOC(C)(C)[C@@H]1C 575587163 352811147 /nfs/dbraw/zinc/81/11/47/352811147.db2.gz HBBJILOILWTAKX-VIFPVBQESA-N 0 0 185.267 1.075 10 0 ADAERN Cn1cc(NC[C@@H]2CC2(C)C)nn1 575587229 352811168 /nfs/dbraw/zinc/81/11/68/352811168.db2.gz CRMVJBXWABXYFG-ZETCQYMHSA-N 0 0 180.255 1.273 10 0 ADAERN CC(=O)CN1CCOC(C)(C)[C@H]1C 575587161 352811204 /nfs/dbraw/zinc/81/12/04/352811204.db2.gz HBBJILOILWTAKX-SECBINFHSA-N 0 0 185.267 1.075 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2CCCO2)[nH]1 575587234 352811325 /nfs/dbraw/zinc/81/13/25/352811325.db2.gz CUDHZJAPIADVBL-VIFPVBQESA-N 0 0 179.219 1.685 10 0 ADAERN Cc1ccc(C(=O)[C@H]2CCCO2)[nH]1 575587231 352811330 /nfs/dbraw/zinc/81/13/30/352811330.db2.gz CUDHZJAPIADVBL-SECBINFHSA-N 0 0 179.219 1.685 10 0 ADAERN C[C@H]1CCN1c1ccc(C=O)nc1 575587256 352811397 /nfs/dbraw/zinc/81/13/97/352811397.db2.gz HWGAPEQSHKZFLI-QMMMGPOBSA-N 0 0 176.219 1.493 10 0 ADAERN Cc1c[nH]c(N2C[C@H]3CC[C@H]3C2)n1 575587312 352811668 /nfs/dbraw/zinc/81/16/68/352811668.db2.gz NBOHYLRGHWZUTM-DTORHVGOSA-N 0 0 177.251 1.564 10 0 ADAERN CSCCC1=NC(=O)CS1 575587361 352811696 /nfs/dbraw/zinc/81/16/96/352811696.db2.gz ZJVQZMQEYMELEA-UHFFFAOYSA-N 0 0 175.278 1.754 10 0 ADAERN C[C@@H](n1c(=O)[nH][nH]c1=S)C1(C)CC1 575587319 352811698 /nfs/dbraw/zinc/81/16/98/352811698.db2.gz NYDZKWMSOWVMBE-RXMQYKEDSA-N 0 0 199.279 1.634 10 0 ADAERN CC1(C)C[C@]1(C)n1c(=O)[nH][nH]c1=S 575587354 352811786 /nfs/dbraw/zinc/81/17/86/352811786.db2.gz YGABSWDWFCBWHU-QMMMGPOBSA-N 0 0 199.279 1.418 10 0 ADAERN Cc1c[nH]c(N2C[C@@H]3CC[C@H]3C2)n1 575587313 352811800 /nfs/dbraw/zinc/81/18/00/352811800.db2.gz NBOHYLRGHWZUTM-IUCAKERBSA-N 0 0 177.251 1.564 10 0 ADAERN CCc1nc[nH]c(=O)c1C(C)C 575587285 352811865 /nfs/dbraw/zinc/81/18/65/352811865.db2.gz IIVQSFFRQMZAEM-UHFFFAOYSA-N 0 0 166.224 1.868 10 0 ADAERN CC(C)c1nc(F)cc(=O)[nH]1 575587321 352811871 /nfs/dbraw/zinc/81/18/71/352811871.db2.gz OPVWMYIXLWDWBW-UHFFFAOYSA-N 0 0 156.160 1.445 10 0 ADAERN C[C@H]1CCN1C1=NC(=O)CS1 575587284 352811895 /nfs/dbraw/zinc/81/18/95/352811895.db2.gz HMZWQINUXJVWKZ-YFKPBYRVSA-N 0 0 170.237 1.447 10 0 ADAERN Cc1c[nH]c(N2C[C@H]3CC[C@@H]3C2)n1 575587315 352811902 /nfs/dbraw/zinc/81/19/02/352811902.db2.gz NBOHYLRGHWZUTM-RKDXNWHRSA-N 0 0 177.251 1.564 10 0 ADAERN C[C@@H]1CCN1C1=NC(=O)CS1 575587279 352811910 /nfs/dbraw/zinc/81/19/10/352811910.db2.gz HMZWQINUXJVWKZ-RXMQYKEDSA-N 0 0 170.237 1.447 10 0 ADAERN CC1(C)C[C@@]1(C)n1c(=O)[nH][nH]c1=S 575587353 352811958 /nfs/dbraw/zinc/81/19/58/352811958.db2.gz YGABSWDWFCBWHU-MRVPVSSYSA-N 0 0 199.279 1.418 10 0 ADAERN CC1(C)C[C@@H]1CNc1cncnc1 575587447 352811992 /nfs/dbraw/zinc/81/19/92/352811992.db2.gz DZZBNKIQGODVAR-MRVPVSSYSA-N 0 0 177.251 1.935 10 0 ADAERN CC1(C)C[C@H]1CNc1cncnc1 575587448 352812156 /nfs/dbraw/zinc/81/21/56/352812156.db2.gz DZZBNKIQGODVAR-QMMMGPOBSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@H](n1c(=O)[nH][nH]c1=S)C1(C)CC1 575587320 352812191 /nfs/dbraw/zinc/81/21/91/352812191.db2.gz NYDZKWMSOWVMBE-YFKPBYRVSA-N 0 0 199.279 1.634 10 0 ADAERN C[C@@H]1CC[C@@H](Nc2cn(C)nn2)C1 575587569 352812734 /nfs/dbraw/zinc/81/27/34/352812734.db2.gz GCLXHTGCROPHIR-HTQZYQBOSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@H]1CC[C@H](Nc2cn(C)nn2)C1 575587584 352812780 /nfs/dbraw/zinc/81/27/80/352812780.db2.gz GCLXHTGCROPHIR-YUMQZZPRSA-N 0 0 180.255 1.416 10 0 ADAERN C[C@@H]1CC[C@H](Nc2cn(C)nn2)C1 575587579 352812813 /nfs/dbraw/zinc/81/28/13/352812813.db2.gz GCLXHTGCROPHIR-SFYZADRCSA-N 0 0 180.255 1.416 10 0 ADAERN O=C(c1cccnn1)c1cccs1 575587588 352812834 /nfs/dbraw/zinc/81/28/34/352812834.db2.gz GCMYGUSWCAVOST-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN Cc1nc([C@@]2(C)CC2(C)C)n[nH]1 575587578 352812858 /nfs/dbraw/zinc/81/28/58/352812858.db2.gz DLBGAHCJVPOLNM-SECBINFHSA-N 0 0 165.240 1.801 10 0 ADAERN C[C@H]1CC[C@@H](Nc2cn(C)nn2)C1 575587575 352812889 /nfs/dbraw/zinc/81/28/89/352812889.db2.gz GCLXHTGCROPHIR-JGVFFNPUSA-N 0 0 180.255 1.416 10 0 ADAERN O=c1cc[nH]c(-c2cncs2)c1 575587528 352812892 /nfs/dbraw/zinc/81/28/92/352812892.db2.gz BFBKQGCOPOQQQK-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN Cc1nc([C@]2(C)CC2(C)C)n[nH]1 575587583 352812907 /nfs/dbraw/zinc/81/29/07/352812907.db2.gz DLBGAHCJVPOLNM-VIFPVBQESA-N 0 0 165.240 1.801 10 0 ADAERN CC(C)(C)c1ncnc2c1CCN2 575587472 352812913 /nfs/dbraw/zinc/81/29/13/352812913.db2.gz FPXWTRPDCPBBIW-UHFFFAOYSA-N 0 0 177.251 1.720 10 0 ADAERN Oc1cccnc1-c1cncs1 575587689 352813396 /nfs/dbraw/zinc/81/33/96/352813396.db2.gz IDLDFXWJMIACAQ-UHFFFAOYSA-N 0 0 178.216 1.911 10 0 ADAERN C1C[C@H](c2nn[nH]n2)[C@H]2C[C@H]2C1 575587687 352813402 /nfs/dbraw/zinc/81/34/02/352813402.db2.gz HZCJKVTUUJAJTH-VQVTYTSYSA-N 0 0 164.212 1.103 10 0 ADAERN C1C[C@@H]2C[C@@H]2[C@H](c2nn[nH]n2)C1 575587685 352813442 /nfs/dbraw/zinc/81/34/42/352813442.db2.gz HZCJKVTUUJAJTH-QYNIQEEDSA-N 0 0 164.212 1.103 10 0 ADAERN CC(C)=C[C@@H](O)c1ncc[nH]1 575587709 352813546 /nfs/dbraw/zinc/81/35/46/352813546.db2.gz ITWHVMXNIBAOQR-SSDOTTSWSA-N 0 0 152.197 1.409 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ccc(C=O)o1 575587656 352813588 /nfs/dbraw/zinc/81/35/88/352813588.db2.gz KEBRZAVTRLGNTD-SFYZADRCSA-N 0 0 179.219 1.937 10 0 ADAERN C[NH+](C)[C@]1(C(=O)[O-])CCCC12CC2 575587620 352813636 /nfs/dbraw/zinc/81/36/36/352813636.db2.gz KCKMSTHVJYMZQY-JTQLQIEISA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H]1CN(c2ccc(C=O)o2)[C@@H]1C 575587655 352813663 /nfs/dbraw/zinc/81/36/63/352813663.db2.gz KEBRZAVTRLGNTD-JGVFFNPUSA-N 0 0 179.219 1.937 10 0 ADAERN C[C@@H]1CN(c2ccc(C=O)o2)[C@@H]1C 575587654 352813693 /nfs/dbraw/zinc/81/36/93/352813693.db2.gz KEBRZAVTRLGNTD-HTQZYQBOSA-N 0 0 179.219 1.937 10 0 ADAERN C[NH+](C)[C@@]1(C(=O)[O-])CCCC12CC2 575587621 352813668 /nfs/dbraw/zinc/81/36/68/352813668.db2.gz KCKMSTHVJYMZQY-SNVBAGLBSA-N 0 0 183.251 1.336 10 0 ADAERN C[C@H]1CN(c2ccc(C=O)o2)[C@H]1C 575587657 352813682 /nfs/dbraw/zinc/81/36/82/352813682.db2.gz KEBRZAVTRLGNTD-YUMQZZPRSA-N 0 0 179.219 1.937 10 0 ADAERN CC(C)=C[C@H](O)c1ncc[nH]1 575587710 352813699 /nfs/dbraw/zinc/81/36/99/352813699.db2.gz ITWHVMXNIBAOQR-ZETCQYMHSA-N 0 0 152.197 1.409 10 0 ADAERN Cn1[nH]c([C@@]23CCC[C@@H]2C3)nc1=S 575587872 352813958 /nfs/dbraw/zinc/81/39/58/352813958.db2.gz HXZFOYQWEAVOEO-HZGVNTEJSA-N 0 0 195.291 1.919 10 0 ADAERN S=C1N=NC([C@]23CCC[C@H]2C3)O1 575587792 352813981 /nfs/dbraw/zinc/81/39/81/352813981.db2.gz BFRMBAPYGKCJJY-XNCJUZBTSA-N 0 0 182.248 1.800 10 0 ADAERN c1cc(-c2n[nH]c(C3CC3)n2)ns1 575587871 352814001 /nfs/dbraw/zinc/81/40/01/352814001.db2.gz HRKKBWLWHBJPIA-UHFFFAOYSA-N 0 0 192.247 1.806 10 0 ADAERN S=C1N=NC([C@@]23CCC[C@@H]2C3)O1 575587791 352814041 /nfs/dbraw/zinc/81/40/41/352814041.db2.gz BFRMBAPYGKCJJY-SVGQVSJJSA-N 0 0 182.248 1.800 10 0 ADAERN O[C@]1(c2ccc[nH]2)C[C@H]2C=C[C@@H]1C2 575587823 352814111 /nfs/dbraw/zinc/81/41/11/352814111.db2.gz CTIPYTHJTUYJLT-IQJOONFLSA-N 0 0 175.231 1.798 10 0 ADAERN Cn1[nH]c([C@]23CCC[C@H]2C3)nc1=S 575587875 352814193 /nfs/dbraw/zinc/81/41/93/352814193.db2.gz HXZFOYQWEAVOEO-RCOVLWMOSA-N 0 0 195.291 1.919 10 0 ADAERN O[C@@]1(c2ccc[nH]2)C[C@H]2C=C[C@@H]1C2 575587825 352814238 /nfs/dbraw/zinc/81/42/38/352814238.db2.gz CTIPYTHJTUYJLT-NGZCFLSTSA-N 0 0 175.231 1.798 10 0 ADAERN CC1(C)C[C@@H]1[C@@H]1CC(=O)CO1 575587960 352814889 /nfs/dbraw/zinc/81/48/89/352814889.db2.gz OWEHBNRDEAZDLW-SFYZADRCSA-N 0 0 154.209 1.391 10 0 ADAERN CC1(C)C[C@H]1[C@H]1CC(=O)CO1 575587956 352814957 /nfs/dbraw/zinc/81/49/57/352814957.db2.gz OWEHBNRDEAZDLW-JGVFFNPUSA-N 0 0 154.209 1.391 10 0 ADAERN CC1(C)C[C@@H]1[C@H]1CC(=O)CO1 575587953 352815144 /nfs/dbraw/zinc/81/51/44/352815144.db2.gz OWEHBNRDEAZDLW-HTQZYQBOSA-N 0 0 154.209 1.391 10 0 ADAERN CC1(C)C[C@H]1[C@@H]1CC(=O)CO1 575587961 352815149 /nfs/dbraw/zinc/81/51/49/352815149.db2.gz OWEHBNRDEAZDLW-YUMQZZPRSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@@H]1CCN1c1ncc(Cl)cc1N 575588162 352816020 /nfs/dbraw/zinc/81/60/20/352816020.db2.gz DLQFBTPMKDBJNS-ZCFIWIBFSA-N 0 0 197.669 1.916 10 0 ADAERN C[C@H]1CCN1c1ncc(Cl)cc1N 575588161 352816028 /nfs/dbraw/zinc/81/60/28/352816028.db2.gz DLQFBTPMKDBJNS-LURJTMIESA-N 0 0 197.669 1.916 10 0 ADAERN C[C@@H](Nc1cn(C)nn1)C1CCC1 575588157 352816217 /nfs/dbraw/zinc/81/62/17/352816217.db2.gz HRPLPRRJRQNHGV-SSDOTTSWSA-N 0 0 180.255 1.416 10 0 ADAERN Cc1nc(-c2n[nH]cc2N)sc1C 575588072 352816220 /nfs/dbraw/zinc/81/62/20/352816220.db2.gz GUBVQVYENTVBJG-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN Cc1ccc(C(=O)C(F)F)[nH]1 575588066 352816239 /nfs/dbraw/zinc/81/62/39/352816239.db2.gz GTTCZNYMCSVPEL-UHFFFAOYSA-N 0 0 159.135 1.771 10 0 ADAERN C[C@H](Nc1cn(C)nn1)C1CCC1 575588159 352816357 /nfs/dbraw/zinc/81/63/57/352816357.db2.gz HRPLPRRJRQNHGV-ZETCQYMHSA-N 0 0 180.255 1.416 10 0 ADAERN Cc1csc([C@@](C)(N)C(F)F)n1 575588273 352816708 /nfs/dbraw/zinc/81/67/08/352816708.db2.gz IUMHUGJKVSBBLZ-ZETCQYMHSA-N 0 0 192.234 1.891 10 0 ADAERN Cc1cn(Cc2nc[nH]n2)cc1C 575588253 352816740 /nfs/dbraw/zinc/81/67/40/352816740.db2.gz HJWNNZCKDZGQQB-UHFFFAOYSA-N 0 0 176.223 1.271 10 0 ADAERN CCc1c[nH]c(N2CC[C@@H]2C)n1 575588296 352816816 /nfs/dbraw/zinc/81/68/16/352816816.db2.gz KMNHBQWUPYINSO-ZETCQYMHSA-N 0 0 165.240 1.571 10 0 ADAERN Cn1cncc1-c1ccc(O)cn1 575588204 352816862 /nfs/dbraw/zinc/81/68/62/352816862.db2.gz PDSIBVGGWXEZMU-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN Cn1cncc1-c1cncc(O)c1 575588199 352816871 /nfs/dbraw/zinc/81/68/71/352816871.db2.gz MVQILRUNSOFUNI-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN CCc1c[nH]c(N2CC[C@H]2C)n1 575588292 352816886 /nfs/dbraw/zinc/81/68/86/352816886.db2.gz KMNHBQWUPYINSO-SSDOTTSWSA-N 0 0 165.240 1.571 10 0 ADAERN Cc1csc([C@](C)(N)C(F)F)n1 575588271 352817015 /nfs/dbraw/zinc/81/70/15/352817015.db2.gz IUMHUGJKVSBBLZ-SSDOTTSWSA-N 0 0 192.234 1.891 10 0 ADAERN CC1(C)CCN1c1ncccc1N 575588354 352817431 /nfs/dbraw/zinc/81/74/31/352817431.db2.gz AUOPXQSVPGSROG-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@@H]1CCCCC[C@H]1S(N)(=O)=O 575588327 352817513 /nfs/dbraw/zinc/81/75/13/352817513.db2.gz UGSNIQJQNIDOPB-HTQZYQBOSA-N 0 0 191.296 1.244 10 0 ADAERN CC(C)C1(C2N=NC(=O)O2)CC1 575588378 352817517 /nfs/dbraw/zinc/81/75/17/352817517.db2.gz NSJBKFUJWPYMFI-UHFFFAOYSA-N 0 0 168.196 1.463 10 0 ADAERN Cn1cncc1-c1ncccc1O 575588395 352817529 /nfs/dbraw/zinc/81/75/29/352817529.db2.gz WAUIXNQSWAWPQE-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN C[C@H]1CCCCC[C@@H]1S(N)(=O)=O 575588332 352817685 /nfs/dbraw/zinc/81/76/85/352817685.db2.gz UGSNIQJQNIDOPB-YUMQZZPRSA-N 0 0 191.296 1.244 10 0 ADAERN c1ccn(Cc2cc[nH]n2)c1 575588458 352817717 /nfs/dbraw/zinc/81/77/17/352817717.db2.gz WZLAYFCMUZIPCD-UHFFFAOYSA-N 0 0 147.181 1.260 10 0 ADAERN C[C@H]1CCCCC[C@H]1S(N)(=O)=O 575588329 352817770 /nfs/dbraw/zinc/81/77/70/352817770.db2.gz UGSNIQJQNIDOPB-JGVFFNPUSA-N 0 0 191.296 1.244 10 0 ADAERN c1c[nH]c(N2CCC23CCC3)n1 575588382 352817780 /nfs/dbraw/zinc/81/77/80/352817780.db2.gz OMYPFGXYFPJORM-UHFFFAOYSA-N 0 0 163.224 1.543 10 0 ADAERN ClC1(c2cc[nH]n2)CC1 575588391 352817863 /nfs/dbraw/zinc/81/78/63/352817863.db2.gz VXLKIIMHHWRIAM-UHFFFAOYSA-N 0 0 142.589 1.638 10 0 ADAERN C[C@@H]1CCCCC[C@@H]1S(N)(=O)=O 575588331 352817899 /nfs/dbraw/zinc/81/78/99/352817899.db2.gz UGSNIQJQNIDOPB-SFYZADRCSA-N 0 0 191.296 1.244 10 0 ADAERN CCC1CN(c2nc(C)c[nH]2)C1 575588381 352818064 /nfs/dbraw/zinc/81/80/64/352818064.db2.gz OKWLWSRSSXUXSG-UHFFFAOYSA-N 0 0 165.240 1.564 10 0 ADAERN c1c[nH]c(N2CCC23CCCC3)n1 575588408 352818076 /nfs/dbraw/zinc/81/80/76/352818076.db2.gz RRYAOMHLBLFJFF-UHFFFAOYSA-N 0 0 177.251 1.933 10 0 ADAERN CO[C@H]1C[C@H](n2cc[nH]c2=S)C1 575588475 352818334 /nfs/dbraw/zinc/81/83/34/352818334.db2.gz LIKIXLZBPQAEOT-LJGSYFOKSA-N 0 0 184.264 1.522 10 0 ADAERN C[C@@H](CF)Nc1ncc(F)cc1N 575588570 352818420 /nfs/dbraw/zinc/81/84/20/352818420.db2.gz NKKUYOBPQGJSSV-YFKPBYRVSA-N 0 0 187.193 1.573 10 0 ADAERN Cc1nc([C@]2(C)C[C@H]2C)n[nH]1 575588554 352818439 /nfs/dbraw/zinc/81/84/39/352818439.db2.gz ZZIFGNLXQRIEJB-SVGQVSJJSA-N 0 0 151.213 1.411 10 0 ADAERN Cc1cn(C2CSC2)c(=S)[nH]1 575588575 352818614 /nfs/dbraw/zinc/81/86/14/352818614.db2.gz OATXGFHCVXSZMR-UHFFFAOYSA-N 0 0 186.305 1.768 10 0 ADAERN C[C@H](CF)Nc1ncc(F)cc1N 575588569 352818729 /nfs/dbraw/zinc/81/87/29/352818729.db2.gz NKKUYOBPQGJSSV-RXMQYKEDSA-N 0 0 187.193 1.573 10 0 ADAERN Cc1nc([C@@]2(C)C[C@@H]2C)n[nH]1 575588624 352818734 /nfs/dbraw/zinc/81/87/34/352818734.db2.gz ZZIFGNLXQRIEJB-XNCJUZBTSA-N 0 0 151.213 1.411 10 0 ADAERN C/C=C/[C@H](NN)c1ccns1 575588691 352819162 /nfs/dbraw/zinc/81/91/62/352819162.db2.gz RFGJBXIUCSKYJV-SZKDQXIBSA-N 0 0 169.253 1.224 10 0 ADAERN CON[C@H]1CCc2ccc(O)cc21 575588755 352819188 /nfs/dbraw/zinc/81/91/88/352819188.db2.gz STYNONPDMHIRML-JTQLQIEISA-N 0 0 179.219 1.531 10 0 ADAERN CCN1C(=S)N=NC1[C@@H]1CC12CC2 575588637 352819227 /nfs/dbraw/zinc/81/92/27/352819227.db2.gz PABKHUCBTDGYLO-LURJTMIESA-N 0 0 195.291 1.854 10 0 ADAERN C/C=C/[C@@H](NN)c1ccns1 575588693 352819256 /nfs/dbraw/zinc/81/92/56/352819256.db2.gz RFGJBXIUCSKYJV-YRFDSLTASA-N 0 0 169.253 1.224 10 0 ADAERN Cc1nc([C@]2(C)C[C@@H]2C)n[nH]1 575588641 352819472 /nfs/dbraw/zinc/81/94/72/352819472.db2.gz ZZIFGNLXQRIEJB-YLWLKBPMSA-N 0 0 151.213 1.411 10 0 ADAERN CCN1C(=S)N=NC1[C@H]1CC12CC2 575588642 352819649 /nfs/dbraw/zinc/81/96/49/352819649.db2.gz PABKHUCBTDGYLO-ZCFIWIBFSA-N 0 0 195.291 1.854 10 0 ADAERN CON[C@@H]1CCc2ccc(O)cc21 575588756 352819734 /nfs/dbraw/zinc/81/97/34/352819734.db2.gz STYNONPDMHIRML-SNVBAGLBSA-N 0 0 179.219 1.531 10 0 ADAERN C[C@@H]1CCN1c1cccnc1N 575588970 352820738 /nfs/dbraw/zinc/82/07/38/352820738.db2.gz FMMFIVHUFXVLCH-SSDOTTSWSA-N 0 0 163.224 1.262 10 0 ADAERN C[C@H]1CCN1c1cccnc1N 575588976 352820750 /nfs/dbraw/zinc/82/07/50/352820750.db2.gz FMMFIVHUFXVLCH-ZETCQYMHSA-N 0 0 163.224 1.262 10 0 ADAERN O=C(c1ccsn1)c1ccc[nH]1 575588861 352820755 /nfs/dbraw/zinc/82/07/55/352820755.db2.gz JYPPUGRIIHHJLW-UHFFFAOYSA-N 0 0 178.216 1.702 10 0 ADAERN C[C@@H]1CCN1c1ncnc(N)c1Cl 575589067 352821139 /nfs/dbraw/zinc/82/11/39/352821139.db2.gz NZVVEQOEXHQOCH-RXMQYKEDSA-N 0 0 198.657 1.311 10 0 ADAERN C[C@H]1CCN1c1ccc(N)cn1 575589074 352821209 /nfs/dbraw/zinc/82/12/09/352821209.db2.gz GIRJWYVHWQVHAM-ZETCQYMHSA-N 0 0 163.224 1.262 10 0 ADAERN C[C@@H]1CCN1c1ccc(N)cn1 575589068 352821242 /nfs/dbraw/zinc/82/12/42/352821242.db2.gz GIRJWYVHWQVHAM-SSDOTTSWSA-N 0 0 163.224 1.262 10 0 ADAERN Nc1cc(N2CCC23CCC3)sn1 575589025 352821280 /nfs/dbraw/zinc/82/12/80/352821280.db2.gz NMKPEHQBFGVGSN-UHFFFAOYSA-N 0 0 195.291 1.858 10 0 ADAERN C[C@H]1CCN1c1ncnc(N)c1Cl 575589069 352821574 /nfs/dbraw/zinc/82/15/74/352821574.db2.gz NZVVEQOEXHQOCH-YFKPBYRVSA-N 0 0 198.657 1.311 10 0 ADAERN C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 575589396 352822024 /nfs/dbraw/zinc/82/20/24/352822024.db2.gz DVEKOQAHZUAQDU-RYPBNFRJSA-N 0 0 183.251 1.190 10 0 ADAERN C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]2C(=O)[O-])[C@@H]1C 575589393 352822058 /nfs/dbraw/zinc/82/20/58/352822058.db2.gz DVEKOQAHZUAQDU-LURQLKTLSA-N 0 0 183.251 1.190 10 0 ADAERN C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]2C(=O)[O-])[C@@H]1C 575589391 352822073 /nfs/dbraw/zinc/82/20/73/352822073.db2.gz DVEKOQAHZUAQDU-FNCVBFRFSA-N 0 0 183.251 1.190 10 0 ADAERN C[C@H]1[C@H](C)C[N@H+]1[C@@H]1CC[C@H]1C(=O)[O-] 575589388 352822212 /nfs/dbraw/zinc/82/22/12/352822212.db2.gz DVEKOQAHZUAQDU-BZNPZCIMSA-N 0 0 183.251 1.190 10 0 ADAERN CC(=O)CC1=CSC2=NCCN12 575589201 352822428 /nfs/dbraw/zinc/82/24/28/352822428.db2.gz UOYQHACXYGLIQH-UHFFFAOYSA-N 0 0 182.248 1.225 10 0 ADAERN CCC(=O)c1ccc(C)[nH]1 575589572 352822965 /nfs/dbraw/zinc/82/29/65/352822965.db2.gz MEAWHRQSXUQBDQ-UHFFFAOYSA-N 0 0 137.182 1.916 10 0 ADAERN ON[C@@H]1CCc2ccc(O)cc21 575589684 352823450 /nfs/dbraw/zinc/82/34/50/352823450.db2.gz XCLNNDMYDDDIIH-SECBINFHSA-N 0 0 165.192 1.358 10 0 ADAERN CC1N=NC(=S)N1[C@@]12CCC[C@@H]1C2 575589603 352823502 /nfs/dbraw/zinc/82/35/02/352823502.db2.gz VUCGMRQRDKTROH-VXNVDRBHSA-N 0 0 195.291 1.774 10 0 ADAERN Cc1ncc(-c2ccc(=O)[nH]n2)s1 575589662 352823541 /nfs/dbraw/zinc/82/35/41/352823541.db2.gz WLLHVJRKBAIMKF-UHFFFAOYSA-N 0 0 193.231 1.614 10 0 ADAERN ON[C@H]1CCc2ccc(O)cc21 575589711 352823857 /nfs/dbraw/zinc/82/38/57/352823857.db2.gz XCLNNDMYDDDIIH-VIFPVBQESA-N 0 0 165.192 1.358 10 0 ADAERN c1nc2c(c(C3CC3)n1)CCN2 575589611 352823984 /nfs/dbraw/zinc/82/39/84/352823984.db2.gz MSANWUBCGMBKKP-UHFFFAOYSA-N 0 0 161.208 1.084 10 0 ADAERN CC1N=NC(=S)N1[C@]12CCC[C@H]1C2 575589597 352824089 /nfs/dbraw/zinc/82/40/89/352824089.db2.gz VUCGMRQRDKTROH-CBAPKCEASA-N 0 0 195.291 1.774 10 0 ADAERN CCc1nsc([C@]2(N)CC2(C)C)n1 575590012 352825292 /nfs/dbraw/zinc/82/52/92/352825292.db2.gz JKIORHJFFNVWCW-SECBINFHSA-N 0 0 197.307 1.684 10 0 ADAERN Nc1ccnc(S[C@@H]2CCOC2)c1 575590014 352825301 /nfs/dbraw/zinc/82/53/01/352825301.db2.gz JLBWFDFZGKUGMF-MRVPVSSYSA-N 0 0 196.275 1.545 10 0 ADAERN CCc1nsc([C@@]2(N)CC2(C)C)n1 575590013 352825394 /nfs/dbraw/zinc/82/53/94/352825394.db2.gz JKIORHJFFNVWCW-VIFPVBQESA-N 0 0 197.307 1.684 10 0 ADAERN Cn1[nH]c([C@@H]2C[C@@H]3C[C@@H]3C2)nc1=S 575589985 352825482 /nfs/dbraw/zinc/82/54/82/352825482.db2.gz ZNJMKWKDILSSPB-ZMONIFLSSA-N 0 0 195.291 1.991 10 0 ADAERN C[C@H]1C[C@@H](Nc2cn(C)nn2)CS1 575590145 352826155 /nfs/dbraw/zinc/82/61/55/352826155.db2.gz OFUKWDPAJWOPAH-NKWVEPMBSA-N 0 0 198.295 1.121 10 0 ADAERN C[C@@H]1C[C@H](Nc2cn(C)nn2)CS1 575590168 352826229 /nfs/dbraw/zinc/82/62/29/352826229.db2.gz OFUKWDPAJWOPAH-RQJHMYQMSA-N 0 0 198.295 1.121 10 0 ADAERN C[C@@H]1C[C@@H](Nc2cn(C)nn2)CS1 575590146 352826252 /nfs/dbraw/zinc/82/62/52/352826252.db2.gz OFUKWDPAJWOPAH-RNFRBKRXSA-N 0 0 198.295 1.121 10 0 ADAERN Nc1ccnc(S[C@H]2CCOC2)c1 575590022 352826257 /nfs/dbraw/zinc/82/62/57/352826257.db2.gz JLBWFDFZGKUGMF-QMMMGPOBSA-N 0 0 196.275 1.545 10 0 ADAERN C[C@H]1C[C@H](Nc2cn(C)nn2)CS1 575590144 352826423 /nfs/dbraw/zinc/82/64/23/352826423.db2.gz OFUKWDPAJWOPAH-BQBZGAKWSA-N 0 0 198.295 1.121 10 0 ADAERN CNc1cc(N2CC[C@@H]2C)ncn1 575590196 352826797 /nfs/dbraw/zinc/82/67/97/352826797.db2.gz QPPFJPKOEABKPC-ZETCQYMHSA-N 0 0 178.239 1.117 10 0 ADAERN CNc1cncc(N2CC[C@@H]2C)c1 575590344 352826862 /nfs/dbraw/zinc/82/68/62/352826862.db2.gz RRPKWNOOLZRKTL-QMMMGPOBSA-N 0 0 177.251 1.722 10 0 ADAERN CNc1cncc(N2CC[C@H]2C)c1 575590342 352826869 /nfs/dbraw/zinc/82/68/69/352826869.db2.gz RRPKWNOOLZRKTL-MRVPVSSYSA-N 0 0 177.251 1.722 10 0 ADAERN CCCc1ncnc2c1CCN2 575590297 352827074 /nfs/dbraw/zinc/82/70/74/352827074.db2.gz ORJQWMJBNKQMOY-UHFFFAOYSA-N 0 0 163.224 1.474 10 0 ADAERN CNc1cc(N2CC[C@H]2C)ncn1 575590195 352827112 /nfs/dbraw/zinc/82/71/12/352827112.db2.gz QPPFJPKOEABKPC-SSDOTTSWSA-N 0 0 178.239 1.117 10 0 ADAERN CC(C)Cc1ncnc2c1CCN2 575590486 352827714 /nfs/dbraw/zinc/82/77/14/352827714.db2.gz PPEDVQBCAUHFFC-UHFFFAOYSA-N 0 0 177.251 1.720 10 0 ADAERN Cc1cnc(N2CC[C@H]2C)c(N)c1 575590708 352828548 /nfs/dbraw/zinc/82/85/48/352828548.db2.gz LIVHAFVYDMUWAP-MRVPVSSYSA-N 0 0 177.251 1.571 10 0 ADAERN Cc1cnc(N2CC[C@@H]2C)c(N)c1 575590712 352829078 /nfs/dbraw/zinc/82/90/78/352829078.db2.gz LIVHAFVYDMUWAP-QMMMGPOBSA-N 0 0 177.251 1.571 10 0 ADAERN CC(C)=CCNc1cn(C)nn1 575590800 352829270 /nfs/dbraw/zinc/82/92/70/352829270.db2.gz QCNRZYWIQXDDNB-UHFFFAOYSA-N 0 0 166.228 1.193 10 0 ADAERN O=Cc1ccc(-c2cn[nH]n2)s1 575590737 352829287 /nfs/dbraw/zinc/82/92/87/352829287.db2.gz LQFHNUXSBALIIA-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@H]2CCCC[C@@H]21 575591028 352830331 /nfs/dbraw/zinc/83/03/31/352830331.db2.gz JJCHKIQGQXIABY-RKWMXMRGSA-N 0 0 181.235 1.459 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@@H]2CCCC[C@H]21 575591030 352830383 /nfs/dbraw/zinc/83/03/83/352830383.db2.gz JJCHKIQGQXIABY-VFPASMGPSA-N 0 0 181.235 1.459 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@@H]2CCCC[C@@H]21 575591027 352830422 /nfs/dbraw/zinc/83/04/22/352830422.db2.gz JJCHKIQGQXIABY-MUNZNRDXSA-N 0 0 181.235 1.459 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H]2CC[NH2+]C[C@H]2C1 575591139 352830455 /nfs/dbraw/zinc/83/04/55/352830455.db2.gz MFBPTIDNCDIYCB-IWSPIJDZSA-N 0 0 183.251 1.097 10 0 ADAERN CC1(C)CC[N@@H+]1[C@H]1CC[C@H]1C(=O)[O-] 575591064 352830588 /nfs/dbraw/zinc/83/05/88/352830588.db2.gz VJKIPYFEPCKDJN-SFYZADRCSA-N 0 0 183.251 1.334 10 0 ADAERN O=C([O-])/C=C/[N@@H+]1C[C@H]2CCCC[C@H]21 575591026 352830625 /nfs/dbraw/zinc/83/06/25/352830625.db2.gz JJCHKIQGQXIABY-JKKBLNIGSA-N 0 0 181.235 1.459 10 0 ADAERN CC1(C)CC[N@@H+]1[C@@H]1CC[C@@H]1C(=O)[O-] 575591063 352830781 /nfs/dbraw/zinc/83/07/81/352830781.db2.gz VJKIPYFEPCKDJN-JGVFFNPUSA-N 0 0 183.251 1.334 10 0 ADAERN CC1(C)CC[N@@H+]1[C@@H]1CC[C@H]1C(=O)[O-] 575591062 352830825 /nfs/dbraw/zinc/83/08/25/352830825.db2.gz VJKIPYFEPCKDJN-HTQZYQBOSA-N 0 0 183.251 1.334 10 0 ADAERN CC1(C)CC[N@@H+]1[C@H]1CC[C@@H]1C(=O)[O-] 575591067 352830869 /nfs/dbraw/zinc/83/08/69/352830869.db2.gz VJKIPYFEPCKDJN-YUMQZZPRSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@@H]1CCN1c1ncc(N)s1 575591236 352831217 /nfs/dbraw/zinc/83/12/17/352831217.db2.gz OEYZRUHHWPWEJW-RXMQYKEDSA-N 0 0 169.253 1.324 10 0 ADAERN C[C@H]1CCN1c1ncc(N)s1 575591246 352831517 /nfs/dbraw/zinc/83/15/17/352831517.db2.gz OEYZRUHHWPWEJW-YFKPBYRVSA-N 0 0 169.253 1.324 10 0 ADAERN CC(C)(C)C(=O)c1cccnn1 575591304 352832034 /nfs/dbraw/zinc/83/20/34/352832034.db2.gz TUTJJBWPYJKKLX-UHFFFAOYSA-N 0 0 164.208 1.705 10 0 ADAERN O=C(c1cccnn1)C1CCC1 575591498 352832905 /nfs/dbraw/zinc/83/29/05/352832905.db2.gz UXMHQNBWRJSWHE-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN CC1(C)CCN1c1cccnc1N 575591525 352833056 /nfs/dbraw/zinc/83/30/56/352833056.db2.gz LAQQCYZQGZSNLB-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cc(N)ncn1 575591718 352833639 /nfs/dbraw/zinc/83/36/39/352833639.db2.gz QQLUBJVSYNLMNN-RCOVLWMOSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1CCN1c1nc(Cl)ncc1N 575591741 352833652 /nfs/dbraw/zinc/83/36/52/352833652.db2.gz QSFJRIZGTYDIDI-YFKPBYRVSA-N 0 0 198.657 1.311 10 0 ADAERN O=C(c1cnsc1)c1ccsn1 575591817 352833721 /nfs/dbraw/zinc/83/37/21/352833721.db2.gz VKXFLXNHZWAVIX-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cc(N)ncn1 575591714 352833801 /nfs/dbraw/zinc/83/38/01/352833801.db2.gz QQLUBJVSYNLMNN-IMTBSYHQSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cc(N)ncn1 575591709 352833912 /nfs/dbraw/zinc/83/39/12/352833912.db2.gz QQLUBJVSYNLMNN-HZGVNTEJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1CCN1c1nc(Cl)ncc1N 575591738 352833953 /nfs/dbraw/zinc/83/39/53/352833953.db2.gz QSFJRIZGTYDIDI-RXMQYKEDSA-N 0 0 198.657 1.311 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cc(N)ncn1 575591716 352833973 /nfs/dbraw/zinc/83/39/73/352833973.db2.gz QQLUBJVSYNLMNN-MUWHJKNJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1CCN1c1ncc(N)cc1Cl 575591885 352834471 /nfs/dbraw/zinc/83/44/71/352834471.db2.gz RPJACDGETHWXGJ-LURJTMIESA-N 0 0 197.669 1.916 10 0 ADAERN C[C@@H]1CCN1c1ncc(N)cc1Cl 575591892 352834831 /nfs/dbraw/zinc/83/48/31/352834831.db2.gz RPJACDGETHWXGJ-ZCFIWIBFSA-N 0 0 197.669 1.916 10 0 ADAERN C[C@H](N1CCC(=O)C1)C1(C)CC1 575591939 352834849 /nfs/dbraw/zinc/83/48/49/352834849.db2.gz NETDHYFHFBQVJS-QMMMGPOBSA-N 0 0 167.252 1.450 10 0 ADAERN C[C@@H](N1CCC(=O)C1)C1(C)CC1 575591938 352834890 /nfs/dbraw/zinc/83/48/90/352834890.db2.gz NETDHYFHFBQVJS-MRVPVSSYSA-N 0 0 167.252 1.450 10 0 ADAERN CC[C@@H](C)c1ncnc2c1CCN2 575592088 352835094 /nfs/dbraw/zinc/83/50/94/352835094.db2.gz XYVJAPLBTBDMLL-SSDOTTSWSA-N 0 0 177.251 1.720 10 0 ADAERN c1nc2c(c(C3CCC3)n1)CCN2 575592076 352835174 /nfs/dbraw/zinc/83/51/74/352835174.db2.gz XSNYMXBCPBZHSZ-UHFFFAOYSA-N 0 0 175.235 1.474 10 0 ADAERN Cn1cncc1-c1cc(=O)cc[nH]1 575592019 352835210 /nfs/dbraw/zinc/83/52/10/352835210.db2.gz WLJDYTNEBIQNHW-UHFFFAOYSA-N 0 0 175.191 1.188 10 0 ADAERN O=C(c1cccnn1)C1CCCC1 575592000 352835327 /nfs/dbraw/zinc/83/53/27/352835327.db2.gz WCBSPYCJYMRFPA-UHFFFAOYSA-N 0 0 176.219 1.850 10 0 ADAERN O=C1CCN([C@@H]2CCCC23CC3)C1 575591978 352835426 /nfs/dbraw/zinc/83/54/26/352835426.db2.gz NLUTUOSHRHWHAL-SNVBAGLBSA-N 0 0 179.263 1.594 10 0 ADAERN O=C1CCN([C@H]2CCCC23CC3)C1 575591976 352835437 /nfs/dbraw/zinc/83/54/37/352835437.db2.gz NLUTUOSHRHWHAL-JTQLQIEISA-N 0 0 179.263 1.594 10 0 ADAERN O=C(c1ccsn1)c1ccns1 575592071 352835479 /nfs/dbraw/zinc/83/54/79/352835479.db2.gz XPXFLRYXRZMXQL-UHFFFAOYSA-N 0 0 196.256 1.831 10 0 ADAERN CC[C@H](C)c1ncnc2c1CCN2 575592090 352835630 /nfs/dbraw/zinc/83/56/30/352835630.db2.gz XYVJAPLBTBDMLL-ZETCQYMHSA-N 0 0 177.251 1.720 10 0 ADAERN CO[C@H]1C[C@H](Nc2ncc(N)s2)C1 575592141 352836404 /nfs/dbraw/zinc/83/64/04/352836404.db2.gz OIXNDLYGFMTLBL-IZLXSQMJSA-N 0 0 199.279 1.315 10 0 ADAERN N#CN1CCc2ccc(O)cc2C1 575592173 352836454 /nfs/dbraw/zinc/83/64/54/352836454.db2.gz YZSNCQBBIYIKPC-UHFFFAOYSA-N 0 0 174.203 1.231 10 0 ADAERN CC1(C)CCN1c1ncc(N)s1 575592145 352836640 /nfs/dbraw/zinc/83/66/40/352836640.db2.gz ONEAKGWUPBVRQD-UHFFFAOYSA-N 0 0 183.280 1.714 10 0 ADAERN Cc1ccc(C(=O)C2CC2)[nH]1 575592139 352836723 /nfs/dbraw/zinc/83/67/23/352836723.db2.gz YXJCZULKDSJZTC-UHFFFAOYSA-N 0 0 149.193 1.916 10 0 ADAERN C[C@H]1CCN1c1ccc(N)c(N)c1 575592372 352837244 /nfs/dbraw/zinc/83/72/44/352837244.db2.gz UYLGDVKORJFVSK-ZETCQYMHSA-N 0 0 177.251 1.450 10 0 ADAERN C[C@@H]1CCN1c1ccc(N)c(N)c1 575592371 352837499 /nfs/dbraw/zinc/83/74/99/352837499.db2.gz UYLGDVKORJFVSK-SSDOTTSWSA-N 0 0 177.251 1.450 10 0 ADAERN [NH3+][C@@]1(CC(=O)[O-])CCCC12CC2 575592463 352838099 /nfs/dbraw/zinc/83/80/99/352838099.db2.gz SUOIRIUBARRBKR-SECBINFHSA-N 0 0 169.224 1.123 10 0 ADAERN [NH3+][C@]1(CC(=O)[O-])CCCC12CC2 575592464 352838319 /nfs/dbraw/zinc/83/83/19/352838319.db2.gz SUOIRIUBARRBKR-VIFPVBQESA-N 0 0 169.224 1.123 10 0 ADAERN CC1(C)CCN1c1ccc(N)cn1 575592409 352838499 /nfs/dbraw/zinc/83/84/99/352838499.db2.gz RRDDTBRYLMRELZ-UHFFFAOYSA-N 0 0 177.251 1.653 10 0 ADAERN CC1(C)CCN1c1ncncc1N 575592430 352838576 /nfs/dbraw/zinc/83/85/76/352838576.db2.gz RXSAZJXQSQRSJN-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN Cc1cc(N)cnc1N1CC[C@@H]1C 575592600 352838851 /nfs/dbraw/zinc/83/88/51/352838851.db2.gz XNCNZANVQIZPQJ-QMMMGPOBSA-N 0 0 177.251 1.571 10 0 ADAERN CO[C@@]1(C)C[C@H]1N1C(=S)N=NC1C 575592700 352838945 /nfs/dbraw/zinc/83/89/45/352838945.db2.gz FFMVYUJEVWBBFF-SVRRBLITSA-N 0 0 199.279 1.225 10 0 ADAERN C[C@@H]1CN(C2=NC(=O)CS2)[C@@H]1C 575592684 352838961 /nfs/dbraw/zinc/83/89/61/352838961.db2.gz DJQZREXOKXBQTK-PHDIDXHHSA-N 0 0 184.264 1.693 10 0 ADAERN CO[C@]1(C)C[C@@H]1N1C(=S)N=NC1C 575592699 352839001 /nfs/dbraw/zinc/83/90/01/352839001.db2.gz FFMVYUJEVWBBFF-POYBYMJQSA-N 0 0 199.279 1.225 10 0 ADAERN CCN1C(=S)N=NC1N1CC(C)C1 575592788 352839057 /nfs/dbraw/zinc/83/90/57/352839057.db2.gz KRZOJCBDLJBDRD-UHFFFAOYSA-N 0 0 198.295 1.043 10 0 ADAERN CN1C(=S)N=NC1[C@@H]1C[C@@H]2C[C@@H]2C1 575592697 352839137 /nfs/dbraw/zinc/83/91/37/352839137.db2.gz DJRQKAIHSCZNSU-ZMONIFLSSA-N 0 0 195.291 1.617 10 0 ADAERN C[C@H]1CN(C2=NC(=O)CS2)[C@@H]1C 575592683 352839228 /nfs/dbraw/zinc/83/92/28/352839228.db2.gz DJQZREXOKXBQTK-NTSWFWBYSA-N 0 0 184.264 1.693 10 0 ADAERN CO[C@]1(C)C[C@H]1N1C(=S)N=NC1C 575592698 352839237 /nfs/dbraw/zinc/83/92/37/352839237.db2.gz FFMVYUJEVWBBFF-HTRCEHHLSA-N 0 0 199.279 1.225 10 0 ADAERN CN1C(=S)N=NC1[C@@]12CCC[C@@H]1C2 575592790 352839241 /nfs/dbraw/zinc/83/92/41/352839241.db2.gz LCQPARPVCDIAHG-HZGVNTEJSA-N 0 0 195.291 1.545 10 0 ADAERN C[C@H]1CCN1c1nc(Cl)ccc1N 575592545 352839342 /nfs/dbraw/zinc/83/93/42/352839342.db2.gz VUABQTRAMMBPJY-LURJTMIESA-N 0 0 197.669 1.916 10 0 ADAERN Cc1cc(N)cnc1N1CC[C@H]1C 575592599 352839365 /nfs/dbraw/zinc/83/93/65/352839365.db2.gz XNCNZANVQIZPQJ-MRVPVSSYSA-N 0 0 177.251 1.571 10 0 ADAERN C[C@H]1CN(C2=NC(=O)CS2)[C@H]1C 575592694 352839407 /nfs/dbraw/zinc/83/94/07/352839407.db2.gz DJQZREXOKXBQTK-WDSKDSINSA-N 0 0 184.264 1.693 10 0 ADAERN CC1(C)CCN1C1=NC(=O)CS1 575592682 352839438 /nfs/dbraw/zinc/83/94/38/352839438.db2.gz CMIMAMZQFLFINP-UHFFFAOYSA-N 0 0 184.264 1.837 10 0 ADAERN C[C@@H]1CCN1c1nc(Cl)ccc1N 575592546 352839444 /nfs/dbraw/zinc/83/94/44/352839444.db2.gz VUABQTRAMMBPJY-ZCFIWIBFSA-N 0 0 197.669 1.916 10 0 ADAERN CO[C@@]1(C)C[C@@H]1N1C(=S)N=NC1C 575592704 352839466 /nfs/dbraw/zinc/83/94/66/352839466.db2.gz FFMVYUJEVWBBFF-XPUUQOCRSA-N 0 0 199.279 1.225 10 0 ADAERN C[C@H]1[C@H](C)CN1C1=NC(=O)CS1 575592685 352839468 /nfs/dbraw/zinc/83/94/68/352839468.db2.gz DJQZREXOKXBQTK-RITPCOANSA-N 0 0 184.264 1.693 10 0 ADAERN C[C@H]1CCN1c1c(N)cncc1Cl 575592900 352839760 /nfs/dbraw/zinc/83/97/60/352839760.db2.gz YSFRSVWNWLPBNE-LURJTMIESA-N 0 0 197.669 1.916 10 0 ADAERN C[C@H]1CCN1c1cc(N)cc(Cl)n1 575592841 352839778 /nfs/dbraw/zinc/83/97/78/352839778.db2.gz YEGRSFPYMKRYQV-LURJTMIESA-N 0 0 197.669 1.916 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cncc(N)c1 575592972 352839824 /nfs/dbraw/zinc/83/98/24/352839824.db2.gz ZGMDKVYBJZOTNP-OIBJUYFYSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1CCN1c1cc(N)cc(Cl)n1 575592844 352839834 /nfs/dbraw/zinc/83/98/34/352839834.db2.gz YEGRSFPYMKRYQV-ZCFIWIBFSA-N 0 0 197.669 1.916 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cc(F)ncn1 575592881 352839890 /nfs/dbraw/zinc/83/98/90/352839890.db2.gz YQTXLUOMLVMEJT-HZGVNTEJSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1CCN1c1c(N)cncc1Cl 575592901 352840002 /nfs/dbraw/zinc/84/00/02/352840002.db2.gz YSFRSVWNWLPBNE-ZCFIWIBFSA-N 0 0 197.669 1.916 10 0 ADAERN CO[C@H]1C[C@H](N2C(=S)N=NC2C)C1 575592817 352840036 /nfs/dbraw/zinc/84/00/36/352840036.db2.gz ONXJMDJJEYBQRS-LJGSYFOKSA-N 0 0 199.279 1.225 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cc(F)ncn1 575592889 352840132 /nfs/dbraw/zinc/84/01/32/352840132.db2.gz YQTXLUOMLVMEJT-MUWHJKNJSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cncc(N)c1 575592969 352840138 /nfs/dbraw/zinc/84/01/38/352840138.db2.gz ZGMDKVYBJZOTNP-GMSGAONNSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cncc(N)c1 575592973 352840349 /nfs/dbraw/zinc/84/03/49/352840349.db2.gz ZGMDKVYBJZOTNP-XCBNKYQSSA-N 0 0 177.251 1.874 10 0 ADAERN CN1C(=S)N=NC1[C@]12CCC[C@H]1C2 575592800 352840366 /nfs/dbraw/zinc/84/03/66/352840366.db2.gz LCQPARPVCDIAHG-RCOVLWMOSA-N 0 0 195.291 1.545 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cncc(N)c1 575592974 352840379 /nfs/dbraw/zinc/84/03/79/352840379.db2.gz ZGMDKVYBJZOTNP-XVKPBYJWSA-N 0 0 177.251 1.874 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cc(F)ncn1 575592885 352840385 /nfs/dbraw/zinc/84/03/85/352840385.db2.gz YQTXLUOMLVMEJT-IMTBSYHQSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cc(F)ncn1 575592891 352840389 /nfs/dbraw/zinc/84/03/89/352840389.db2.gz YQTXLUOMLVMEJT-RCOVLWMOSA-N 0 0 181.214 1.826 10 0 ADAERN CC(=O)C[N@@H+]1CCC12CCC2 575593143 352840937 /nfs/dbraw/zinc/84/09/37/352840937.db2.gz XTINQMXFPUSQTB-UHFFFAOYSA-N 0 0 153.225 1.204 10 0 ADAERN CC1(C)CCN1c1ncc(N)cn1 575593180 352842304 /nfs/dbraw/zinc/84/23/04/352842304.db2.gz YICDRPIMYYHKHX-UHFFFAOYSA-N 0 0 178.239 1.048 10 0 ADAERN CO[C@@H]1C[C@H]1c1nc(Cl)ns1 575600058 352862919 /nfs/dbraw/zinc/86/29/19/352862919.db2.gz FDSIKDPZCUIHBB-QWWZWVQMSA-N 0 0 190.655 1.694 10 0 ADAERN Nc1cccnc1S[C@H]1CC[C@@H]1O 575593319 352842707 /nfs/dbraw/zinc/84/27/07/352842707.db2.gz BCGAZJZBCYPOMO-YUMQZZPRSA-N 0 0 196.275 1.279 10 0 ADAERN Nc1cccnc1S[C@@H]1CC[C@H]1O 575593316 352842788 /nfs/dbraw/zinc/84/27/88/352842788.db2.gz BCGAZJZBCYPOMO-HTQZYQBOSA-N 0 0 196.275 1.279 10 0 ADAERN Nc1cccnc1S[C@@H]1CC[C@@H]1O 575593317 352843102 /nfs/dbraw/zinc/84/31/02/352843102.db2.gz BCGAZJZBCYPOMO-JGVFFNPUSA-N 0 0 196.275 1.279 10 0 ADAERN Nc1cccnc1S[C@H]1CC[C@H]1O 575593318 352843119 /nfs/dbraw/zinc/84/31/19/352843119.db2.gz BCGAZJZBCYPOMO-SFYZADRCSA-N 0 0 196.275 1.279 10 0 ADAERN C[N@@H+]1CCCC[C@H]1c1nc(N)cs1 575593424 352843496 /nfs/dbraw/zinc/84/34/96/352843496.db2.gz DTLOCHVEDWCOCC-ZETCQYMHSA-N 0 0 197.307 1.882 10 0 ADAERN Nc1ccccc1S[C@H]1CC[C@@H]1O 575593407 352843713 /nfs/dbraw/zinc/84/37/13/352843713.db2.gz DJFLQHLDBLWRNG-WPRPVWTQSA-N 0 0 195.287 1.884 10 0 ADAERN Nc1ccccc1S[C@H]1CC[C@H]1O 575593405 352843537 /nfs/dbraw/zinc/84/35/37/352843537.db2.gz DJFLQHLDBLWRNG-SCZZXKLOSA-N 0 0 195.287 1.884 10 0 ADAERN Nc1ccccc1S[C@@H]1CC[C@@H]1O 575593406 352843566 /nfs/dbraw/zinc/84/35/66/352843566.db2.gz DJFLQHLDBLWRNG-WCBMZHEXSA-N 0 0 195.287 1.884 10 0 ADAERN C[N@@H+]1CCCC[C@@H]1c1nc(N)cs1 575593423 352843572 /nfs/dbraw/zinc/84/35/72/352843572.db2.gz DTLOCHVEDWCOCC-SSDOTTSWSA-N 0 0 197.307 1.882 10 0 ADAERN Nc1ccccc1S[C@@H]1CC[C@H]1O 575593404 352843694 /nfs/dbraw/zinc/84/36/94/352843694.db2.gz DJFLQHLDBLWRNG-PSASIEDQSA-N 0 0 195.287 1.884 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ccnc(F)n1 575593599 352844190 /nfs/dbraw/zinc/84/41/90/352844190.db2.gz JVLQPASWFZMFRI-RCOVLWMOSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ccnc(F)n1 575593596 352844195 /nfs/dbraw/zinc/84/41/95/352844195.db2.gz JVLQPASWFZMFRI-HZGVNTEJSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ccnc(F)n1 575593597 352844234 /nfs/dbraw/zinc/84/42/34/352844234.db2.gz JVLQPASWFZMFRI-IMTBSYHQSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ccnc(F)n1 575593598 352844300 /nfs/dbraw/zinc/84/43/00/352844300.db2.gz JVLQPASWFZMFRI-MUWHJKNJSA-N 0 0 181.214 1.826 10 0 ADAERN Nc1ccccc1O[C@H]1CC[C@H]1O 575593583 352844357 /nfs/dbraw/zinc/84/43/57/352844357.db2.gz JOGRPCOYDBTPLS-SCZZXKLOSA-N 0 0 179.219 1.171 10 0 ADAERN Nc1ccccc1O[C@H]1CC[C@@H]1O 575593585 352844529 /nfs/dbraw/zinc/84/45/29/352844529.db2.gz JOGRPCOYDBTPLS-WPRPVWTQSA-N 0 0 179.219 1.171 10 0 ADAERN COc1c(Cl)ccc(O)c1N 575720167 352901342 /nfs/dbraw/zinc/90/13/42/352901342.db2.gz IJAIFVQFCIFVGO-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN N[C@@H]([C@H]1C[C@@H]2C[C@@H]2C1)C(F)(F)F 575593667 352844945 /nfs/dbraw/zinc/84/49/45/352844945.db2.gz MCMTVVKQVDPENB-VZFHVOOUSA-N 0 0 179.185 1.922 10 0 ADAERN Nc1ccc(S[C@@H]2CC[C@H]2O)nc1 575593709 352844999 /nfs/dbraw/zinc/84/49/99/352844999.db2.gz NMZJKNFVMVQJKJ-HTQZYQBOSA-N 0 0 196.275 1.279 10 0 ADAERN N[C@H]([C@H]1C[C@@H]2C[C@@H]2C1)C(F)(F)F 575593669 352845018 /nfs/dbraw/zinc/84/50/18/352845018.db2.gz MCMTVVKQVDPENB-XZBKPIIZSA-N 0 0 179.185 1.922 10 0 ADAERN Nc1ccc(S[C@H]2CC[C@@H]2O)nc1 575593712 352845134 /nfs/dbraw/zinc/84/51/34/352845134.db2.gz NMZJKNFVMVQJKJ-YUMQZZPRSA-N 0 0 196.275 1.279 10 0 ADAERN Nc1ccc(S[C@H]2CC[C@H]2O)nc1 575593711 352845163 /nfs/dbraw/zinc/84/51/63/352845163.db2.gz NMZJKNFVMVQJKJ-SFYZADRCSA-N 0 0 196.275 1.279 10 0 ADAERN Nc1ccc(S[C@@H]2CC[C@@H]2O)nc1 575593710 352845174 /nfs/dbraw/zinc/84/51/74/352845174.db2.gz NMZJKNFVMVQJKJ-JGVFFNPUSA-N 0 0 196.275 1.279 10 0 ADAERN Nc1nccnc1[C@H]1C[C@@H]2C[C@@H]2C1 575593697 352845177 /nfs/dbraw/zinc/84/51/77/352845177.db2.gz NBEWOUAGBQLVJO-RNLVFQAGSA-N 0 0 175.235 1.572 10 0 ADAERN Nc1ccc(S[C@H]2CC[C@@H]2O)cc1 575593816 352845726 /nfs/dbraw/zinc/84/57/26/352845726.db2.gz RAQUFYISRRCQHY-UWVGGRQHSA-N 0 0 195.287 1.884 10 0 ADAERN Nc1ccc(S[C@@H]2CC[C@@H]2O)cc1 575593817 352845755 /nfs/dbraw/zinc/84/57/55/352845755.db2.gz RAQUFYISRRCQHY-VHSXEESVSA-N 0 0 195.287 1.884 10 0 ADAERN Nc1ccc(S[C@@H]2CC[C@H]2O)cc1 575593815 352845848 /nfs/dbraw/zinc/84/58/48/352845848.db2.gz RAQUFYISRRCQHY-NXEZZACHSA-N 0 0 195.287 1.884 10 0 ADAERN Nc1ccc(S[C@H]2CC[C@H]2O)cc1 575593818 352845879 /nfs/dbraw/zinc/84/58/79/352845879.db2.gz RAQUFYISRRCQHY-ZJUUUORDSA-N 0 0 195.287 1.884 10 0 ADAERN O=C1CCO[C@@H]([C@H]2C[C@@H]3C[C@@H]3C2)C1 575593910 352846374 /nfs/dbraw/zinc/84/63/74/352846374.db2.gz SSQKMTWDHQXFSR-PKIKSRDPSA-N 0 0 180.247 1.781 10 0 ADAERN O=C1CCO[C@H]([C@H]2C[C@@H]3C[C@@H]3C2)C1 575593908 352846468 /nfs/dbraw/zinc/84/64/68/352846468.db2.gz SSQKMTWDHQXFSR-DKIAZLNASA-N 0 0 180.247 1.781 10 0 ADAERN CC(=O)Cc1cc(Cl)n(C)n1 575594222 352848158 /nfs/dbraw/zinc/84/81/58/352848158.db2.gz FASYPDXJBMTJHI-UHFFFAOYSA-N 0 0 172.615 1.205 10 0 ADAERN Cc1c([C@@H]2CC23CC3)noc1N 575594225 352848175 /nfs/dbraw/zinc/84/81/75/352848175.db2.gz FBSCRZSMHWNYPA-LURJTMIESA-N 0 0 164.208 1.833 10 0 ADAERN Clc1nncn1C[C@H]1C[C@@H]2C[C@@H]2C1 575594472 352849476 /nfs/dbraw/zinc/84/94/76/352849476.db2.gz BLRSPONCONBMCT-RNLVFQAGSA-N 0 0 197.669 1.978 10 0 ADAERN Fc1ccnc([C@@H]2CCCO2)n1 575594460 352849495 /nfs/dbraw/zinc/84/94/95/352849495.db2.gz ATZMEWQKBZSPFH-LURJTMIESA-N 0 0 168.171 1.467 10 0 ADAERN Cc1c(F)ncnc1N1CC[C@@H]1C 575594489 352849555 /nfs/dbraw/zinc/84/95/55/352849555.db2.gz CHCHMNDPOSVWJR-LURJTMIESA-N 0 0 181.214 1.523 10 0 ADAERN Fc1ccnc([C@H]2CCCO2)n1 575594461 352849718 /nfs/dbraw/zinc/84/97/18/352849718.db2.gz ATZMEWQKBZSPFH-ZCFIWIBFSA-N 0 0 168.171 1.467 10 0 ADAERN Cc1c(F)ncnc1N1CC[C@H]1C 575594490 352849776 /nfs/dbraw/zinc/84/97/76/352849776.db2.gz CHCHMNDPOSVWJR-ZCFIWIBFSA-N 0 0 181.214 1.523 10 0 ADAERN Fc1ncnc2c(F)cccc12 575594434 352849794 /nfs/dbraw/zinc/84/97/94/352849794.db2.gz APVXALKIKPXLIH-UHFFFAOYSA-N 0 0 166.130 1.908 10 0 ADAERN CO[C@@H](C)c1nc(C)cc(F)n1 575594485 352849802 /nfs/dbraw/zinc/84/98/02/352849802.db2.gz BWXTZSATTNQNGA-LURJTMIESA-N 0 0 170.187 1.632 10 0 ADAERN CO[C@H](C)c1nc(C)cc(F)n1 575594486 352849835 /nfs/dbraw/zinc/84/98/35/352849835.db2.gz BWXTZSATTNQNGA-ZCFIWIBFSA-N 0 0 170.187 1.632 10 0 ADAERN Clc1cc(N2CC[C@H]3C[C@H]32)ncn1 575594498 352849885 /nfs/dbraw/zinc/84/98/85/352849885.db2.gz CVZBKYXQBUTTBP-NKWVEPMBSA-N 0 0 195.653 1.729 10 0 ADAERN Fc1nccc(OC2CCCC2)n1 575594504 352850133 /nfs/dbraw/zinc/85/01/33/352850133.db2.gz DMSZQJDPGRBGTC-UHFFFAOYSA-N 0 0 182.198 1.937 10 0 ADAERN Fc1ncnc2scnc12 575594513 352850137 /nfs/dbraw/zinc/85/01/37/352850137.db2.gz GIFAXHOLCXNFDW-UHFFFAOYSA-N 0 0 155.157 1.225 10 0 ADAERN Clc1cc(N2CC[C@@H]3C[C@@H]32)ncn1 575594500 352850146 /nfs/dbraw/zinc/85/01/46/352850146.db2.gz CVZBKYXQBUTTBP-RQJHMYQMSA-N 0 0 195.653 1.729 10 0 ADAERN CC(=O)C1=C(O)C2(CC1)CC2 575594813 352850525 /nfs/dbraw/zinc/85/05/25/352850525.db2.gz NNVJEJAXYJRNKS-ZETCQYMHSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1c([C@@H]2CC23CC3)nn(C)c1N 575594773 352850533 /nfs/dbraw/zinc/85/05/33/352850533.db2.gz MYFREYVIBBEJSW-ZETCQYMHSA-N 0 0 177.251 1.578 10 0 ADAERN CSCc1nc(F)cc(F)n1 575594741 352850540 /nfs/dbraw/zinc/85/05/40/352850540.db2.gz RCQLNTPWCOSQDJ-UHFFFAOYSA-N 0 0 176.191 1.618 10 0 ADAERN Cc1cc(N2CC[C@H]2C)nc(F)n1 575594820 352850572 /nfs/dbraw/zinc/85/05/72/352850572.db2.gz UMBKTAJAUWVZJX-SSDOTTSWSA-N 0 0 181.214 1.523 10 0 ADAERN CC(C)C(=O)C1=C(O)C2(CC1)CC2 575594760 352850577 /nfs/dbraw/zinc/85/05/77/352850577.db2.gz MQJPEJGEBIOLAR-MRVPVSSYSA-N 0 0 180.247 1.971 10 0 ADAERN Fc1cncc(N2CC[C@H]3C[C@H]32)n1 575594717 352850606 /nfs/dbraw/zinc/85/06/06/352850606.db2.gz PFEVHQKHIUOLLM-NKWVEPMBSA-N 0 0 179.198 1.214 10 0 ADAERN Fc1cc(N2CC[C@@H]3C[C@@H]32)ccn1 575594667 352850611 /nfs/dbraw/zinc/85/06/11/352850611.db2.gz MMMRXVRECSEWDD-APPZFPTMSA-N 0 0 178.210 1.819 10 0 ADAERN Fc1nccc(N2CC[C@H]3C[C@H]32)n1 575594800 352850622 /nfs/dbraw/zinc/85/06/22/352850622.db2.gz UGCWYQDARSLCDP-NKWVEPMBSA-N 0 0 179.198 1.214 10 0 ADAERN Fc1ccnc(N2CCCCC2)n1 575594777 352850652 /nfs/dbraw/zinc/85/06/52/352850652.db2.gz TXAHUFCADSOTNU-UHFFFAOYSA-N 0 0 181.214 1.606 10 0 ADAERN CC(=O)C1=C(O)C2(CC1)CC2 575594812 352850698 /nfs/dbraw/zinc/85/06/98/352850698.db2.gz NNVJEJAXYJRNKS-SSDOTTSWSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1cc(N2CCCC2)nc(F)n1 575594744 352850702 /nfs/dbraw/zinc/85/07/02/352850702.db2.gz RQPKRDNSDQXDRM-UHFFFAOYSA-N 0 0 181.214 1.524 10 0 ADAERN Clc1cnc(N2CC[C@@H]3C[C@@H]32)cn1 575594681 352850737 /nfs/dbraw/zinc/85/07/37/352850737.db2.gz NDWNYTIHRUEFRG-RQJHMYQMSA-N 0 0 195.653 1.729 10 0 ADAERN Fc1cncc(N2CC[C@@H]3C[C@@H]32)n1 575594724 352850743 /nfs/dbraw/zinc/85/07/43/352850743.db2.gz PFEVHQKHIUOLLM-RQJHMYQMSA-N 0 0 179.198 1.214 10 0 ADAERN CCOc1ccnc(F)n1 575594672 352850781 /nfs/dbraw/zinc/85/07/81/352850781.db2.gz MSQNFEPRZPNNJA-UHFFFAOYSA-N 0 0 142.133 1.014 10 0 ADAERN Fc1nccc(N2CC[C@@H]3C[C@@H]32)n1 575594810 352850801 /nfs/dbraw/zinc/85/08/01/352850801.db2.gz UGCWYQDARSLCDP-RQJHMYQMSA-N 0 0 179.198 1.214 10 0 ADAERN CSCc1nccc(F)n1 575594694 352850812 /nfs/dbraw/zinc/85/08/12/352850812.db2.gz OCYXXNXEEINRPS-UHFFFAOYSA-N 0 0 158.201 1.479 10 0 ADAERN Clc1cnc(N2CC[C@H]3C[C@H]32)cn1 575594679 352850835 /nfs/dbraw/zinc/85/08/35/352850835.db2.gz NDWNYTIHRUEFRG-NKWVEPMBSA-N 0 0 195.653 1.729 10 0 ADAERN CC(C)C(=O)C1=C(O)C2(CC1)CC2 575594763 352850838 /nfs/dbraw/zinc/85/08/38/352850838.db2.gz MQJPEJGEBIOLAR-QMMMGPOBSA-N 0 0 180.247 1.971 10 0 ADAERN Fc1cc(N2CC[C@H]3C[C@H]32)ccn1 575594669 352850894 /nfs/dbraw/zinc/85/08/94/352850894.db2.gz MMMRXVRECSEWDD-IONNQARKSA-N 0 0 178.210 1.819 10 0 ADAERN Cn1nccc1-c1cccc(F)n1 575594827 352851394 /nfs/dbraw/zinc/85/13/94/352851394.db2.gz UYHGQBRJMIWFIE-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN CCOc1cncc(F)n1 575594844 352851277 /nfs/dbraw/zinc/85/12/77/352851277.db2.gz VPLQAYCXDVUBEY-UHFFFAOYSA-N 0 0 142.133 1.014 10 0 ADAERN Cc1cc(N2CC[C@@H]2C)nc(F)n1 575594824 352851411 /nfs/dbraw/zinc/85/14/11/352851411.db2.gz UMBKTAJAUWVZJX-ZETCQYMHSA-N 0 0 181.214 1.523 10 0 ADAERN CSCCc1noc(Cl)n1 575594828 352851427 /nfs/dbraw/zinc/85/14/27/352851427.db2.gz UZTASCPZBNDOIJ-UHFFFAOYSA-N 0 0 178.644 1.629 10 0 ADAERN CC1CN(Cc2cnc(Cl)cn2)C1 575594882 352851439 /nfs/dbraw/zinc/85/14/39/352851439.db2.gz ZUGIWEBQQLVKRM-UHFFFAOYSA-N 0 0 197.669 1.582 10 0 ADAERN CC(C)Oc1cncc(F)n1 575594851 352851473 /nfs/dbraw/zinc/85/14/73/352851473.db2.gz WGVBVWAZIORMBO-UHFFFAOYSA-N 0 0 156.160 1.403 10 0 ADAERN COc1nc(F)ncc1Cl 575594845 352851673 /nfs/dbraw/zinc/85/16/73/352851673.db2.gz VSOCSCCAGLKYKT-UHFFFAOYSA-N 0 0 162.551 1.278 10 0 ADAERN Cn1cnc(-c2nccnc2Cl)c1 575594855 352851854 /nfs/dbraw/zinc/85/18/54/352851854.db2.gz XACXYRVSFWCIFK-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN O=C(C1=C(O)C2(CC1)CC2)C(F)F 575595060 352852289 /nfs/dbraw/zinc/85/22/89/352852289.db2.gz TVEANPGDESLZLG-YFKPBYRVSA-N 0 0 188.173 1.580 10 0 ADAERN O=C(C1=C(O)C2(CC1)CC2)C(F)F 575595059 352852300 /nfs/dbraw/zinc/85/23/00/352852300.db2.gz TVEANPGDESLZLG-RXMQYKEDSA-N 0 0 188.173 1.580 10 0 ADAERN CCC(=O)C1=C(O)C2(CC1)CC2 575595052 352852457 /nfs/dbraw/zinc/85/24/57/352852457.db2.gz TUKODPJFQIKPNU-SSDOTTSWSA-N 0 0 166.220 1.725 10 0 ADAERN O=C1CC[C@@H](S[C@H]2CCOC2)C1 575595084 352852520 /nfs/dbraw/zinc/85/25/20/352852520.db2.gz UVHQOPDJLWACEK-BDAKNGLRSA-N 0 0 186.276 1.630 10 0 ADAERN O=C(C1=C(O)C2(CC1)CC2)C1CC1 575595051 352852533 /nfs/dbraw/zinc/85/25/33/352852533.db2.gz TTXHYSOHAKAUMZ-QMMMGPOBSA-N 0 0 178.231 1.725 10 0 ADAERN O=C1CC[C@H](S[C@@H]2CCOC2)C1 575595085 352852560 /nfs/dbraw/zinc/85/25/60/352852560.db2.gz UVHQOPDJLWACEK-DTWKUNHWSA-N 0 0 186.276 1.630 10 0 ADAERN CCC(=O)C1=C(O)C2(CC1)CC2 575595053 352852585 /nfs/dbraw/zinc/85/25/85/352852585.db2.gz TUKODPJFQIKPNU-ZETCQYMHSA-N 0 0 166.220 1.725 10 0 ADAERN O=C(C1=C(O)C2(CC1)CC2)C1CC1 575595050 352852592 /nfs/dbraw/zinc/85/25/92/352852592.db2.gz TTXHYSOHAKAUMZ-MRVPVSSYSA-N 0 0 178.231 1.725 10 0 ADAERN O=C1CC[C@H](S[C@H]2CCOC2)C1 575595086 352852622 /nfs/dbraw/zinc/85/26/22/352852622.db2.gz UVHQOPDJLWACEK-IUCAKERBSA-N 0 0 186.276 1.630 10 0 ADAERN CC(F)(F)Cn1ccc(=O)c(N)c1 575595075 352852625 /nfs/dbraw/zinc/85/26/25/352852625.db2.gz UDLWWAGIHNGBBY-UHFFFAOYSA-N 0 0 188.177 1.086 10 0 ADAERN Cc1c(N)cnn1CC(C)(F)F 575595044 352852629 /nfs/dbraw/zinc/85/26/29/352852629.db2.gz SUCMZXVFGPKVHA-UHFFFAOYSA-N 0 0 175.182 1.429 10 0 ADAERN O=C1CC[C@@H](S[C@@H]2CCOC2)C1 575595087 352852681 /nfs/dbraw/zinc/85/26/81/352852681.db2.gz UVHQOPDJLWACEK-RKDXNWHRSA-N 0 0 186.276 1.630 10 0 ADAERN CC(F)(F)Cn1cnnc1Cl 575595325 352854285 /nfs/dbraw/zinc/85/42/85/352854285.db2.gz CCPLLYAWBJQJBF-UHFFFAOYSA-N 0 0 181.573 1.587 10 0 ADAERN O=C1CO[C@@]2(CCCC23CC3)C1 575595260 352854289 /nfs/dbraw/zinc/85/42/89/352854289.db2.gz ZHMUBUOSSXPVCI-JTQLQIEISA-N 0 0 166.220 1.679 10 0 ADAERN C[C@H](N)c1nnc([C@H]2CC23CC3)o1 575595271 352854359 /nfs/dbraw/zinc/85/43/59/352854359.db2.gz ZUMOZDRIQPKKFO-NTSWFWBYSA-N 0 0 179.223 1.357 10 0 ADAERN O=C1CO[C@]2(CCCC23CC3)C1 575595261 352854416 /nfs/dbraw/zinc/85/44/16/352854416.db2.gz ZHMUBUOSSXPVCI-SNVBAGLBSA-N 0 0 166.220 1.679 10 0 ADAERN CCc1cc(CC)nc(F)n1 575595349 352854425 /nfs/dbraw/zinc/85/44/25/352854425.db2.gz DHKOEUARHCDYFS-UHFFFAOYSA-N 0 0 154.188 1.741 10 0 ADAERN C=Cc1cc(Br)nn1C 575595358 352854550 /nfs/dbraw/zinc/85/45/50/352854550.db2.gz FDYXJHSFNQPJMY-UHFFFAOYSA-N 0 0 187.040 1.826 10 0 ADAERN CCc1nnc(F)nc1CC 575595323 352854593 /nfs/dbraw/zinc/85/45/93/352854593.db2.gz BTKNCAQOAMLZRN-UHFFFAOYSA-N 0 0 155.176 1.136 10 0 ADAERN CCC(C)(C)[C@@H]1COCC1=O 575595311 352854621 /nfs/dbraw/zinc/85/46/21/352854621.db2.gz BKZVQDXZJUFDBX-SSDOTTSWSA-N 0 0 156.225 1.638 10 0 ADAERN C[C@@H](N)c1nnc([C@@H]2CC23CC3)o1 575595273 352854624 /nfs/dbraw/zinc/85/46/24/352854624.db2.gz ZUMOZDRIQPKKFO-RITPCOANSA-N 0 0 179.223 1.357 10 0 ADAERN CC(F)(F)Cn1cccc(N)c1=O 575595262 352854645 /nfs/dbraw/zinc/85/46/45/352854645.db2.gz ZJDCWJHOXCCXPF-UHFFFAOYSA-N 0 0 188.177 1.086 10 0 ADAERN C[C@@H](N)c1nnc([C@H]2CC23CC3)o1 575595272 352854816 /nfs/dbraw/zinc/85/48/16/352854816.db2.gz ZUMOZDRIQPKKFO-PHDIDXHHSA-N 0 0 179.223 1.357 10 0 ADAERN C[C@H](N)c1nnc([C@@H]2CC23CC3)o1 575595274 352854845 /nfs/dbraw/zinc/85/48/45/352854845.db2.gz ZUMOZDRIQPKKFO-WDSKDSINSA-N 0 0 179.223 1.357 10 0 ADAERN CCC(C)(C)[C@H]1COCC1=O 575595312 352854874 /nfs/dbraw/zinc/85/48/74/352854874.db2.gz BKZVQDXZJUFDBX-ZETCQYMHSA-N 0 0 156.225 1.638 10 0 ADAERN CC(C)Oc1nc(F)nc(Cl)n1 575595384 352855418 /nfs/dbraw/zinc/85/54/18/352855418.db2.gz GKZKIMVJHHSVJF-UHFFFAOYSA-N 0 0 191.593 1.451 10 0 ADAERN CC(C)(C)c1nccc(F)n1 575595405 352855424 /nfs/dbraw/zinc/85/54/24/352855424.db2.gz HIRSCQLIRIKFFB-UHFFFAOYSA-N 0 0 154.188 1.913 10 0 ADAERN CC(C)N(C)c1cc(F)nc(F)n1 575595385 352855507 /nfs/dbraw/zinc/85/55/07/352855507.db2.gz GLTHHJVVRNGUMQ-UHFFFAOYSA-N 0 0 187.193 1.599 10 0 ADAERN Cc1nnc(Cl)n1[C@@H](C)CF 575595486 352855556 /nfs/dbraw/zinc/85/55/56/352855556.db2.gz LCPPOSOXOSENTL-BYPYZUCNSA-N 0 0 177.610 1.770 10 0 ADAERN CCc1nc(F)cc(F)n1 575595656 352855985 /nfs/dbraw/zinc/85/59/85/352855985.db2.gz QZHPODRTPBQRBU-UHFFFAOYSA-N 0 0 144.124 1.317 10 0 ADAERN Cc1nc(C2CC2)nc(F)c1F 575595688 352856059 /nfs/dbraw/zinc/85/60/59/352856059.db2.gz SWRUDYZLGFHJGO-UHFFFAOYSA-N 0 0 170.162 1.941 10 0 ADAERN Cc1c(F)ncnc1N(C)C(C)C 575595674 352856134 /nfs/dbraw/zinc/85/61/34/352856134.db2.gz SLNNVQGTRFNIGP-UHFFFAOYSA-N 0 0 183.230 1.769 10 0 ADAERN C[C@H]1COC[C@@H]1c1nnc(Cl)o1 575595811 352856588 /nfs/dbraw/zinc/85/65/88/352856588.db2.gz LHACFCLIUMZOLO-WHFBIAKZSA-N 0 0 188.614 1.473 10 0 ADAERN C[C@H]1C[C@H]1c1nccc(F)n1 575595790 352856661 /nfs/dbraw/zinc/85/66/61/352856661.db2.gz IDTVJHYYVQHVSK-NTSWFWBYSA-N 0 0 152.172 1.739 10 0 ADAERN C[C@@H]1C[C@@H]1c1nccc(F)n1 575595792 352856663 /nfs/dbraw/zinc/85/66/63/352856663.db2.gz IDTVJHYYVQHVSK-RITPCOANSA-N 0 0 152.172 1.739 10 0 ADAERN Cc1nnc(Cl)n1[C@@]1(C)C[C@H]1C 575595860 352856675 /nfs/dbraw/zinc/85/66/75/352856675.db2.gz AHLFRPCKXHMGBR-XRGYYRRGSA-N 0 0 185.658 1.995 10 0 ADAERN CC1(C)CN(c2ccnc(F)n2)C1 575595730 352856716 /nfs/dbraw/zinc/85/67/16/352856716.db2.gz BDCCOMQUPSZUMM-UHFFFAOYSA-N 0 0 181.214 1.462 10 0 ADAERN C[C@@]1(c2nccc(F)n2)CCCO1 575595757 352856727 /nfs/dbraw/zinc/85/67/27/352856727.db2.gz DMICCAORKHLARW-VIFPVBQESA-N 0 0 182.198 1.641 10 0 ADAERN CCc1nc(N(C)C)nc(F)c1C 575595784 352856745 /nfs/dbraw/zinc/85/67/45/352856745.db2.gz HHOXDCMTCDJQIL-UHFFFAOYSA-N 0 0 183.230 1.553 10 0 ADAERN C[C@@H]1C[C@H]1c1nccc(F)n1 575595791 352856771 /nfs/dbraw/zinc/85/67/71/352856771.db2.gz IDTVJHYYVQHVSK-PHDIDXHHSA-N 0 0 152.172 1.739 10 0 ADAERN Cc1nnc(Cl)n1[C@]1(C)C[C@H]1C 575595845 352856786 /nfs/dbraw/zinc/85/67/86/352856786.db2.gz AHLFRPCKXHMGBR-SVGQVSJJSA-N 0 0 185.658 1.995 10 0 ADAERN CC(C)Cc1cc(F)ncn1 575595816 352856846 /nfs/dbraw/zinc/85/68/46/352856846.db2.gz MBEZOGJSXVKMRO-UHFFFAOYSA-N 0 0 154.188 1.814 10 0 ADAERN C[C@]1(c2nccc(F)n2)CCCO1 575595756 352856894 /nfs/dbraw/zinc/85/68/94/352856894.db2.gz DMICCAORKHLARW-SECBINFHSA-N 0 0 182.198 1.641 10 0 ADAERN CC(C)Cn1ccnc(F)c1=O 575595762 352856899 /nfs/dbraw/zinc/85/68/99/352856899.db2.gz DWKNDWBCVBIUBE-UHFFFAOYSA-N 0 0 170.187 1.038 10 0 ADAERN CN(c1cncc(F)n1)C(C)(C)C 575595726 352856908 /nfs/dbraw/zinc/85/69/08/352856908.db2.gz AQORHWOHJAIBGJ-UHFFFAOYSA-N 0 0 183.230 1.850 10 0 ADAERN CCc1c(F)ncnc1Cl 575595817 352856914 /nfs/dbraw/zinc/85/69/14/352856914.db2.gz MCTUFFIRYNUQLQ-UHFFFAOYSA-N 0 0 160.579 1.832 10 0 ADAERN C[C@H]1COC[C@H]1c1nnc(Cl)o1 575595808 352856937 /nfs/dbraw/zinc/85/69/37/352856937.db2.gz LHACFCLIUMZOLO-CRCLSJGQSA-N 0 0 188.614 1.473 10 0 ADAERN CC(C)N(C)c1ccnc(F)n1 575595789 352856966 /nfs/dbraw/zinc/85/69/66/352856966.db2.gz IBMSGQIYZLVKFZ-UHFFFAOYSA-N 0 0 169.203 1.460 10 0 ADAERN C[C@H]1C[C@@H]1c1nccc(F)n1 575595793 352856978 /nfs/dbraw/zinc/85/69/78/352856978.db2.gz IDTVJHYYVQHVSK-WDSKDSINSA-N 0 0 152.172 1.739 10 0 ADAERN Cc1nnc(Cl)n1[C@]1(C)C[C@@H]1C 575595861 352856981 /nfs/dbraw/zinc/85/69/81/352856981.db2.gz AHLFRPCKXHMGBR-YLWLKBPMSA-N 0 0 185.658 1.995 10 0 ADAERN C[C@@H]1COC[C@@H]1c1nnc(Cl)o1 575595810 352856996 /nfs/dbraw/zinc/85/69/96/352856996.db2.gz LHACFCLIUMZOLO-UHNVWZDZSA-N 0 0 188.614 1.473 10 0 ADAERN Cc1nnc(Cl)n1[C@@]1(C)C[C@@H]1C 575595859 352857084 /nfs/dbraw/zinc/85/70/84/352857084.db2.gz AHLFRPCKXHMGBR-XNCJUZBTSA-N 0 0 185.658 1.995 10 0 ADAERN C[C@@H]1COC[C@H]1c1nnc(Cl)o1 575595809 352857098 /nfs/dbraw/zinc/85/70/98/352857098.db2.gz LHACFCLIUMZOLO-RFZPGFLSSA-N 0 0 188.614 1.473 10 0 ADAERN CC1CN(c2cnc(Cl)cn2)C1 575595838 352857109 /nfs/dbraw/zinc/85/71/09/352857109.db2.gz NBUIYKWHKLZRIC-UHFFFAOYSA-N 0 0 183.642 1.586 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cc(F)ncn1 575595987 352857362 /nfs/dbraw/zinc/85/73/62/352857362.db2.gz KSSWGSFQJACNCT-RQJHMYQMSA-N 0 0 181.214 1.460 10 0 ADAERN C[C@H](O)c1cnc(Cl)n1C 575595881 352857364 /nfs/dbraw/zinc/85/73/64/352857364.db2.gz ASTSRKITHCSHNQ-BYPYZUCNSA-N 0 0 160.604 1.127 10 0 ADAERN C[C@@H]1CN(c2cc(F)ncn2)[C@@H]1C 575595986 352857366 /nfs/dbraw/zinc/85/73/66/352857366.db2.gz KSSWGSFQJACNCT-RNFRBKRXSA-N 0 0 181.214 1.460 10 0 ADAERN Fc1ncnc2c1CCCCC2 575596155 352857381 /nfs/dbraw/zinc/85/73/81/352857381.db2.gz RRULLQQGLWERHO-UHFFFAOYSA-N 0 0 166.199 1.885 10 0 ADAERN Fc1ccc2c(F)ncnc2c1 575596042 352857383 /nfs/dbraw/zinc/85/73/83/352857383.db2.gz NSVVVMIFDCELJN-UHFFFAOYSA-N 0 0 166.130 1.908 10 0 ADAERN Fc1ccc2ncnc(F)c2c1 575595988 352857385 /nfs/dbraw/zinc/85/73/85/352857385.db2.gz KUULSQMBTKVYPC-UHFFFAOYSA-N 0 0 166.130 1.908 10 0 ADAERN C[C@H]1CC[C@@H](c2nccc(F)n2)O1 575595927 352857387 /nfs/dbraw/zinc/85/73/87/352857387.db2.gz ASTZJHNIIJMXGD-BQBZGAKWSA-N 0 0 182.198 1.856 10 0 ADAERN C[C@@H]1CC[C@@H](c2nccc(F)n2)O1 575595932 352857397 /nfs/dbraw/zinc/85/73/97/352857397.db2.gz ASTZJHNIIJMXGD-RQJHMYQMSA-N 0 0 182.198 1.856 10 0 ADAERN CC1CN(c2ccnc(F)n2)C1 575596069 352857402 /nfs/dbraw/zinc/85/74/02/352857402.db2.gz GEDPYXLNSDYBGO-UHFFFAOYSA-N 0 0 167.187 1.072 10 0 ADAERN C[C@@H](F)CCn1cnnc1Cl 575595898 352857409 /nfs/dbraw/zinc/85/74/09/352857409.db2.gz YOMYZVNDIHDIFL-RXMQYKEDSA-N 0 0 177.610 1.680 10 0 ADAERN C[C@H]1CN(c2cc(F)ncn2)[C@H]1C 575595983 352857411 /nfs/dbraw/zinc/85/74/11/352857411.db2.gz KSSWGSFQJACNCT-BQBZGAKWSA-N 0 0 181.214 1.460 10 0 ADAERN CCSc1ccnc(F)n1 575596028 352857418 /nfs/dbraw/zinc/85/74/18/352857418.db2.gz DWXWTOIKDZFVGM-UHFFFAOYSA-N 0 0 158.201 1.728 10 0 ADAERN Clc1ccc(N2CC[C@H]3C[C@H]32)nn1 575596058 352857420 /nfs/dbraw/zinc/85/74/20/352857420.db2.gz HNYGMUHZEFUDMU-NKWVEPMBSA-N 0 0 195.653 1.729 10 0 ADAERN Cc1c(F)ncnc1Cl 575595955 352857438 /nfs/dbraw/zinc/85/74/38/352857438.db2.gz GOLFAOIRBOLMNF-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN Cc1cc(Cl)ncc1NC#N 575595911 352857441 /nfs/dbraw/zinc/85/74/41/352857441.db2.gz ZCEVUCNJRJBABY-UHFFFAOYSA-N 0 0 167.599 1.936 10 0 ADAERN CC(C)c1cc(F)ncn1 575596027 352857457 /nfs/dbraw/zinc/85/74/57/352857457.db2.gz MJAOUQYKMUWARV-UHFFFAOYSA-N 0 0 140.161 1.739 10 0 ADAERN C[C@H](F)CCn1cnnc1Cl 575595899 352857462 /nfs/dbraw/zinc/85/74/62/352857462.db2.gz YOMYZVNDIHDIFL-YFKPBYRVSA-N 0 0 177.610 1.680 10 0 ADAERN N#CNc1ccc(Cl)nc1 575596083 352857488 /nfs/dbraw/zinc/85/74/88/352857488.db2.gz HSBMQRWMUKGEKT-UHFFFAOYSA-N 0 0 153.572 1.628 10 0 ADAERN Fc1ccnc([C@H]2CCOC2)n1 575595884 352857492 /nfs/dbraw/zinc/85/74/92/352857492.db2.gz AMUVTUUHHLNVLA-LURJTMIESA-N 0 0 168.171 1.120 10 0 ADAERN Cn1cncc1-c1cncc(Cl)n1 575596159 352857511 /nfs/dbraw/zinc/85/75/11/352857511.db2.gz WPQHBIDFCQXNRM-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN C[C@H]1CC[C@H](c2nccc(F)n2)O1 575595929 352857515 /nfs/dbraw/zinc/85/75/15/352857515.db2.gz ASTZJHNIIJMXGD-NKWVEPMBSA-N 0 0 182.198 1.856 10 0 ADAERN COc1cnc(C2(C)CC2)nc1F 575596088 352857545 /nfs/dbraw/zinc/85/75/45/352857545.db2.gz PIPXWQXHTBATHO-UHFFFAOYSA-N 0 0 182.198 1.676 10 0 ADAERN CSc1ccnc(F)n1 575595956 352857557 /nfs/dbraw/zinc/85/75/57/352857557.db2.gz HDKJZSPGTGOYQS-UHFFFAOYSA-N 0 0 144.174 1.338 10 0 ADAERN Cc1nccn1-c1ccnc(F)n1 575595999 352857561 /nfs/dbraw/zinc/85/75/61/352857561.db2.gz MHSHDZMDHMIVRQ-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN CC(C)N(C)c1cncc(F)n1 575596072 352857582 /nfs/dbraw/zinc/85/75/82/352857582.db2.gz HAJMQKJGXQUVOF-UHFFFAOYSA-N 0 0 169.203 1.460 10 0 ADAERN CCCc1nccc(F)n1 575595951 352857587 /nfs/dbraw/zinc/85/75/87/352857587.db2.gz GMQJWEBMFGKOOQ-UHFFFAOYSA-N 0 0 140.161 1.568 10 0 ADAERN Cc1cc(F)nc(-c2csnn2)n1 575595928 352857607 /nfs/dbraw/zinc/85/76/07/352857607.db2.gz BRUMLNJRPAHGON-UHFFFAOYSA-N 0 0 196.210 1.443 10 0 ADAERN CCCc1c(F)ncnc1F 575595940 352857634 /nfs/dbraw/zinc/85/76/34/352857634.db2.gz DWANLGQWVXFREC-UHFFFAOYSA-N 0 0 158.151 1.707 10 0 ADAERN Fc1ccnc(C[C@H]2CCOC2)n1 575596105 352857639 /nfs/dbraw/zinc/85/76/39/352857639.db2.gz SWEATTWYKCEBCU-SSDOTTSWSA-N 0 0 182.198 1.195 10 0 ADAERN Cn1cncc1-c1cc(Cl)ncn1 575596065 352857658 /nfs/dbraw/zinc/85/76/58/352857658.db2.gz QZJSGNJXLLIPNJ-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Clc1ccc(N2CC[C@@H]3C[C@@H]32)nn1 575596062 352857674 /nfs/dbraw/zinc/85/76/74/352857674.db2.gz HNYGMUHZEFUDMU-RQJHMYQMSA-N 0 0 195.653 1.729 10 0 ADAERN Fc1ccnc([C@@H]2CCOC2)n1 575595889 352857677 /nfs/dbraw/zinc/85/76/77/352857677.db2.gz AMUVTUUHHLNVLA-ZCFIWIBFSA-N 0 0 168.171 1.120 10 0 ADAERN Fc1cncc(-n2cc(Cl)cn2)n1 575595914 352857689 /nfs/dbraw/zinc/85/76/89/352857689.db2.gz BCHRNPCTDNMWRL-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN Fc1ccnc(C[C@@H]2CCOC2)n1 575596106 352857704 /nfs/dbraw/zinc/85/77/04/352857704.db2.gz SWEATTWYKCEBCU-ZETCQYMHSA-N 0 0 182.198 1.195 10 0 ADAERN C[C@@H]1CC[C@H](c2nccc(F)n2)O1 575595931 352857708 /nfs/dbraw/zinc/85/77/08/352857708.db2.gz ASTZJHNIIJMXGD-RNFRBKRXSA-N 0 0 182.198 1.856 10 0 ADAERN CN(c1ccnc(F)n1)C(C)(C)C 575595977 352857719 /nfs/dbraw/zinc/85/77/19/352857719.db2.gz DHKQYUBCEQVKJG-UHFFFAOYSA-N 0 0 183.230 1.850 10 0 ADAERN Cc1nc(Cl)nc(N(C)C2CC2)n1 575595965 352857741 /nfs/dbraw/zinc/85/77/41/352857741.db2.gz BNDFATVWKHPINO-UHFFFAOYSA-N 0 0 198.657 1.432 10 0 ADAERN CCc1nc(F)c(F)c(F)n1 575596057 352857746 /nfs/dbraw/zinc/85/77/46/352857746.db2.gz QQFYMCSYCQKLOQ-UHFFFAOYSA-N 0 0 162.114 1.456 10 0 ADAERN C[C@H]1CN(c2cc(F)ncn2)[C@@H]1C 575595985 352857751 /nfs/dbraw/zinc/85/77/51/352857751.db2.gz KSSWGSFQJACNCT-NKWVEPMBSA-N 0 0 181.214 1.460 10 0 ADAERN Cc1nc(C)c(F)c(F)n1 575596111 352857765 /nfs/dbraw/zinc/85/77/65/352857765.db2.gz UNZYHYHTWGQCEB-UHFFFAOYSA-N 0 0 144.124 1.372 10 0 ADAERN C[C@@H](O)c1cnc(Cl)n1C 575595885 352857770 /nfs/dbraw/zinc/85/77/70/352857770.db2.gz ASTSRKITHCSHNQ-SCSAIBSYSA-N 0 0 160.604 1.127 10 0 ADAERN CO[C@@H](C)c1nc(C)c(F)c(F)n1 575596649 352858530 /nfs/dbraw/zinc/85/85/30/352858530.db2.gz RCOJIGFQNHCTRU-YFKPBYRVSA-N 0 0 188.177 1.771 10 0 ADAERN C/C=C/[C@@H](O)c1cnc(Cl)n1C 575596213 352858138 /nfs/dbraw/zinc/85/81/38/352858138.db2.gz VUJSWXFNHUDEPB-KGGZQZJCSA-N 0 0 186.642 1.683 10 0 ADAERN CSc1cc(F)nc(F)n1 575596205 352858141 /nfs/dbraw/zinc/85/81/41/352858141.db2.gz JFOYWSJTPVGDHT-UHFFFAOYSA-N 0 0 162.164 1.477 10 0 ADAERN COCc1nc(C)cc(F)n1 575596163 352858145 /nfs/dbraw/zinc/85/81/45/352858145.db2.gz JEZIRUMYBJYXKW-UHFFFAOYSA-N 0 0 156.160 1.071 10 0 ADAERN Fc1cccc(N2CC[C@H]3C[C@H]32)n1 575596187 352858148 /nfs/dbraw/zinc/85/81/48/352858148.db2.gz UWXFUOFVRBUUJO-JGVFFNPUSA-N 0 0 178.210 1.819 10 0 ADAERN CCc1nc(F)c(CC)c(F)n1 575596195 352858153 /nfs/dbraw/zinc/85/81/53/352858153.db2.gz JAUXEPZHOIBMST-UHFFFAOYSA-N 0 0 172.178 1.880 10 0 ADAERN CCSCc1nccc(F)n1 575596191 352858157 /nfs/dbraw/zinc/85/81/57/352858157.db2.gz UYBYOBSQSRJKPV-UHFFFAOYSA-N 0 0 172.228 1.869 10 0 ADAERN C/C=C/[C@H](O)c1cnc(Cl)n1C 575596218 352858168 /nfs/dbraw/zinc/85/81/68/352858168.db2.gz VUJSWXFNHUDEPB-SDLBARTOSA-N 0 0 186.642 1.683 10 0 ADAERN Fc1ccnc(-c2ccncc2)n1 575596167 352858171 /nfs/dbraw/zinc/85/81/71/352858171.db2.gz SGCIXFWTYWGCJK-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN CC1(c2nc(F)cc(F)n2)CC1 575596178 352858178 /nfs/dbraw/zinc/85/81/78/352858178.db2.gz HWXCHKYFNRRHJM-UHFFFAOYSA-N 0 0 170.162 1.806 10 0 ADAERN Fc1ccnc(CC2CC2)n1 575596171 352858181 /nfs/dbraw/zinc/85/81/81/352858181.db2.gz TUDXIKBLAFEFLG-UHFFFAOYSA-N 0 0 152.172 1.568 10 0 ADAERN Cc1nc(F)c(C)c(Cl)n1 575596206 352858183 /nfs/dbraw/zinc/85/81/83/352858183.db2.gz VSGRIJMDHUJTNR-UHFFFAOYSA-N 0 0 160.579 1.886 10 0 ADAERN Fc1cccc(N2CC[C@@H]3C[C@@H]32)n1 575596188 352858193 /nfs/dbraw/zinc/85/81/93/352858193.db2.gz UWXFUOFVRBUUJO-SFYZADRCSA-N 0 0 178.210 1.819 10 0 ADAERN C[C@@H]1CCN1c1ccnc(F)c1 575596917 352859154 /nfs/dbraw/zinc/85/91/54/352859154.db2.gz NHGNAFDHBGPKCK-SSDOTTSWSA-N 0 0 166.199 1.819 10 0 ADAERN CO[C@H](C)c1nc(F)cc(F)n1 575596752 352858411 /nfs/dbraw/zinc/85/84/11/352858411.db2.gz DIOBFLXECMGZLL-SCSAIBSYSA-N 0 0 174.150 1.462 10 0 ADAERN CO[C@@]1(C)C[C@H]1n1cnnc1Cl 575596877 352858417 /nfs/dbraw/zinc/85/84/17/352858417.db2.gz LAHPTGFTJWBRKR-VDTYLAMSSA-N 0 0 187.630 1.281 10 0 ADAERN Fc1ncc(Cl)c(-n2cccn2)n1 575596813 352858432 /nfs/dbraw/zinc/85/84/32/352858432.db2.gz WNUHBEXOZKAMDP-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN Fc1nccnc1N1CC[C@@H](F)C1 575596611 352858448 /nfs/dbraw/zinc/85/84/48/352858448.db2.gz VERPRJZODIWRRL-ZCFIWIBFSA-N 0 0 185.177 1.164 10 0 ADAERN Fc1cc(F)nc(-c2ccns2)n1 575596758 352858482 /nfs/dbraw/zinc/85/84/82/352858482.db2.gz ZGONGXLJFPRJAD-UHFFFAOYSA-N 0 0 199.185 1.878 10 0 ADAERN Fc1cc(N2CCCC2)nc(F)n1 575596811 352858487 /nfs/dbraw/zinc/85/84/87/352858487.db2.gz JUKHTAHQFXSXSK-UHFFFAOYSA-N 0 0 185.177 1.355 10 0 ADAERN Cc1c(Cl)ncnc1N1CC(C)C1 575596733 352858492 /nfs/dbraw/zinc/85/84/92/352858492.db2.gz DDFXBYMSGCRLFN-UHFFFAOYSA-N 0 0 197.669 1.895 10 0 ADAERN CCc1nc(C)nc(F)c1C 575596735 352858500 /nfs/dbraw/zinc/85/85/00/352858500.db2.gz DDUCBFKRSROWOB-UHFFFAOYSA-N 0 0 154.188 1.795 10 0 ADAERN N#CNc1cccnc1Br 575596843 352858519 /nfs/dbraw/zinc/85/85/19/352858519.db2.gz LIQHWFRMYBCVNQ-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN Fc1ccnc([C@H]2CCCCO2)n1 575596664 352858537 /nfs/dbraw/zinc/85/85/37/352858537.db2.gz CNDIPSQVTFJBNI-SSDOTTSWSA-N 0 0 182.198 1.857 10 0 ADAERN CC1CN(c2cncc(F)n2)C1 575596701 352858542 /nfs/dbraw/zinc/85/85/42/352858542.db2.gz SHUYLMFIWDLPLS-UHFFFAOYSA-N 0 0 167.187 1.072 10 0 ADAERN Clc1nnc(-c2cccnn2)s1 575596604 352858546 /nfs/dbraw/zinc/85/85/46/352858546.db2.gz VCCUBKKRJYEKJK-UHFFFAOYSA-N 0 0 198.638 1.649 10 0 ADAERN CCCOc1cncc(F)n1 575596630 352858550 /nfs/dbraw/zinc/85/85/50/352858550.db2.gz WBLIHBMFRKGFJW-UHFFFAOYSA-N 0 0 156.160 1.405 10 0 ADAERN CC(C)(C)Oc1ccnc(F)n1 575596832 352858570 /nfs/dbraw/zinc/85/85/70/352858570.db2.gz KSFIJDNPWPJVIC-UHFFFAOYSA-N 0 0 170.187 1.793 10 0 ADAERN Fc1cncc(N2CC[C@H](F)C2)n1 575596590 352858576 /nfs/dbraw/zinc/85/85/76/352858576.db2.gz TZRBTSSSMSTMPS-LURJTMIESA-N 0 0 185.177 1.164 10 0 ADAERN Clc1nccnc1N1CC[C@H]2C[C@H]21 575596760 352858582 /nfs/dbraw/zinc/85/85/82/352858582.db2.gz GZZIQOTXWRVSKI-NKWVEPMBSA-N 0 0 195.653 1.729 10 0 ADAERN COCc1cc(F)nc(C)n1 575596871 352858593 /nfs/dbraw/zinc/85/85/93/352858593.db2.gz KPBFNAJYXCEFST-UHFFFAOYSA-N 0 0 156.160 1.071 10 0 ADAERN Fc1nccnc1N1CC[C@H](F)C1 575596609 352858598 /nfs/dbraw/zinc/85/85/98/352858598.db2.gz VERPRJZODIWRRL-LURJTMIESA-N 0 0 185.177 1.164 10 0 ADAERN Fc1nccc(-n2cc(Cl)cn2)n1 575596814 352858605 /nfs/dbraw/zinc/85/86/05/352858605.db2.gz FZHDRFYPPHFAEM-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN CC1CN(c2ccnc(F)c2)C1 575596854 352858608 /nfs/dbraw/zinc/85/86/08/352858608.db2.gz MMBQCFJNUHELGE-UHFFFAOYSA-N 0 0 166.199 1.677 10 0 ADAERN Fc1ccnc(C2CCC2)n1 575596784 352858615 /nfs/dbraw/zinc/85/86/15/352858615.db2.gz DVQOWXAAILYWAP-UHFFFAOYSA-N 0 0 152.172 1.883 10 0 ADAERN Clc1nccnc1N1CC[C@@H]2C[C@@H]21 575596763 352858616 /nfs/dbraw/zinc/85/86/16/352858616.db2.gz GZZIQOTXWRVSKI-RQJHMYQMSA-N 0 0 195.653 1.729 10 0 ADAERN CCOCc1nccc(F)n1 575596718 352858625 /nfs/dbraw/zinc/85/86/25/352858625.db2.gz CYKHRBQDSQUHQI-UHFFFAOYSA-N 0 0 156.160 1.152 10 0 ADAERN CN(C)c1nc(F)cc(C2CC2)n1 575596820 352858629 /nfs/dbraw/zinc/85/86/29/352858629.db2.gz GKMRHAOHWYKRON-UHFFFAOYSA-N 0 0 181.214 1.559 10 0 ADAERN CO[C@H](C)c1nc(C)c(F)c(F)n1 575596647 352858639 /nfs/dbraw/zinc/85/86/39/352858639.db2.gz RCOJIGFQNHCTRU-RXMQYKEDSA-N 0 0 188.177 1.771 10 0 ADAERN Fc1ccnc([C@@H]2CCCCO2)n1 575596665 352858650 /nfs/dbraw/zinc/85/86/50/352858650.db2.gz CNDIPSQVTFJBNI-ZETCQYMHSA-N 0 0 182.198 1.857 10 0 ADAERN CO[C@]1(C)C[C@@H]1n1cnnc1Cl 575596874 352858654 /nfs/dbraw/zinc/85/86/54/352858654.db2.gz LAHPTGFTJWBRKR-CAHLUQPWSA-N 0 0 187.630 1.281 10 0 ADAERN CSc1cc(C)nc(F)n1 575596709 352858661 /nfs/dbraw/zinc/85/86/61/352858661.db2.gz CLRITPCTNNJOHQ-UHFFFAOYSA-N 0 0 158.201 1.646 10 0 ADAERN Cc1cc(N(C)C2CC2)nc(F)n1 575596870 352858673 /nfs/dbraw/zinc/85/86/73/352858673.db2.gz KCBZKCXKFGKCHF-UHFFFAOYSA-N 0 0 181.214 1.523 10 0 ADAERN Fc1cncc(N2CC[C@@H](F)C2)n1 575596594 352858693 /nfs/dbraw/zinc/85/86/93/352858693.db2.gz TZRBTSSSMSTMPS-ZCFIWIBFSA-N 0 0 185.177 1.164 10 0 ADAERN CN(c1cc(F)nc(F)n1)C1CC1 575596893 352858707 /nfs/dbraw/zinc/85/87/07/352858707.db2.gz LTVBXPZELHJMIS-UHFFFAOYSA-N 0 0 185.177 1.353 10 0 ADAERN CO[C@]1(C)C[C@H]1n1cnnc1Cl 575596876 352858711 /nfs/dbraw/zinc/85/87/11/352858711.db2.gz LAHPTGFTJWBRKR-IYSWYEEDSA-N 0 0 187.630 1.281 10 0 ADAERN Fc1ccnc(CN2CCCC2)n1 575596878 352858722 /nfs/dbraw/zinc/85/87/22/352858722.db2.gz LCBIKWNWGAHQIG-UHFFFAOYSA-N 0 0 181.214 1.212 10 0 ADAERN CO[C@@]1(C)C[C@@H]1n1cnnc1Cl 575596875 352858749 /nfs/dbraw/zinc/85/87/49/352858749.db2.gz LAHPTGFTJWBRKR-FSPLSTOPSA-N 0 0 187.630 1.281 10 0 ADAERN Fc1cncc(N2CCCCC2)n1 575596719 352858754 /nfs/dbraw/zinc/85/87/54/352858754.db2.gz CRGVPHPYRSHAJT-UHFFFAOYSA-N 0 0 181.214 1.606 10 0 ADAERN CCN(C)c1cncc(F)n1 575596605 352858765 /nfs/dbraw/zinc/85/87/65/352858765.db2.gz BPSYSKMYTQNKNY-UHFFFAOYSA-N 0 0 155.176 1.072 10 0 ADAERN CC1(C)CN(c2cncc(F)n2)C1 575596721 352858773 /nfs/dbraw/zinc/85/87/73/352858773.db2.gz SRPLQHJGONVSAR-UHFFFAOYSA-N 0 0 181.214 1.462 10 0 ADAERN CCc1nc(C)c(OC)c(F)n1 575596724 352858783 /nfs/dbraw/zinc/85/87/83/352858783.db2.gz SXDHVIVJJIKTKY-UHFFFAOYSA-N 0 0 170.187 1.495 10 0 ADAERN CCC1CN(c2ccnc(Cl)n2)C1 575596591 352858801 /nfs/dbraw/zinc/85/88/01/352858801.db2.gz BOOICZYREKDTER-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN CO[C@@H](C)c1nc(F)cc(F)n1 575596747 352858805 /nfs/dbraw/zinc/85/88/05/352858805.db2.gz DIOBFLXECMGZLL-BYPYZUCNSA-N 0 0 174.150 1.462 10 0 ADAERN CCCc1nc(C)cc(F)n1 575596771 352858819 /nfs/dbraw/zinc/85/88/19/352858819.db2.gz DNPNSPFBZBYHPO-UHFFFAOYSA-N 0 0 154.188 1.877 10 0 ADAERN COC1CC(c2nc(Cl)no2)C1 575596639 352858823 /nfs/dbraw/zinc/85/88/23/352858823.db2.gz CLYYMDMXWURQAB-UHFFFAOYSA-N 0 0 188.614 1.615 10 0 ADAERN Fc1cc(F)nc(CC(F)(F)F)n1 575597089 352859127 /nfs/dbraw/zinc/85/91/27/352859127.db2.gz ISNDQDVJQKAYBY-UHFFFAOYSA-N 0 0 198.094 1.860 10 0 ADAERN Fc1cc(F)nc(C2CSC2)n1 575597018 352859102 /nfs/dbraw/zinc/85/91/02/352859102.db2.gz BUQCIOSIWHBEER-UHFFFAOYSA-N 0 0 188.202 1.585 10 0 ADAERN CCN(C)c1nc(F)ncc1C 575597103 352859108 /nfs/dbraw/zinc/85/91/08/352859108.db2.gz PJWMNARQUGSUOP-UHFFFAOYSA-N 0 0 169.203 1.380 10 0 ADAERN COC(C)(C)c1nccc(F)n1 575596937 352859113 /nfs/dbraw/zinc/85/91/13/352859113.db2.gz CGDCKRZUBJTFQR-UHFFFAOYSA-N 0 0 170.187 1.497 10 0 ADAERN C[C@H]1CCN1c1cc(F)nc(F)n1 575597035 352859120 /nfs/dbraw/zinc/85/91/20/352859120.db2.gz WQZPPTGDXDCROE-YFKPBYRVSA-N 0 0 185.177 1.353 10 0 ADAERN C[C@@H]1CCN1c1cc(F)nc(F)n1 575597034 352859129 /nfs/dbraw/zinc/85/91/29/352859129.db2.gz WQZPPTGDXDCROE-RXMQYKEDSA-N 0 0 185.177 1.353 10 0 ADAERN C[C@@H]1CCN1c1cc(Cl)ncn1 575596912 352859142 /nfs/dbraw/zinc/85/91/42/352859142.db2.gz MZDFFGVQTXOTGL-ZCFIWIBFSA-N 0 0 183.642 1.729 10 0 ADAERN Cc1c(F)nc(N(C)C)nc1F 575597180 352859143 /nfs/dbraw/zinc/85/91/43/352859143.db2.gz QYGMOZUAZHZWMV-UHFFFAOYSA-N 0 0 173.166 1.129 10 0 ADAERN CC(C)(C)n1ccnc(F)c1=O 575597150 352859146 /nfs/dbraw/zinc/85/91/46/352859146.db2.gz LSKCCAVBVXONNR-UHFFFAOYSA-N 0 0 170.187 1.137 10 0 ADAERN COc1cnc([C@@H]2C[C@H]2C)nc1F 575597132 352859149 /nfs/dbraw/zinc/85/91/49/352859149.db2.gz PKRKHEUODCZVIU-PHDIDXHHSA-N 0 0 182.198 1.748 10 0 ADAERN COc1cnc([C@H]2C[C@@H]2C)nc1F 575597134 352859151 /nfs/dbraw/zinc/85/91/51/352859151.db2.gz PKRKHEUODCZVIU-WDSKDSINSA-N 0 0 182.198 1.748 10 0 ADAERN Fc1nccnc1N1CC[C@@H]2C[C@@H]21 575597030 352859158 /nfs/dbraw/zinc/85/91/58/352859158.db2.gz WKQOLVNEJNHMKR-RQJHMYQMSA-N 0 0 179.198 1.214 10 0 ADAERN Fc1cc(F)nc([C@@H]2CCCO2)n1 575597066 352859161 /nfs/dbraw/zinc/85/91/61/352859161.db2.gz ZCDWKYIGRYNTDT-YFKPBYRVSA-N 0 0 186.161 1.606 10 0 ADAERN CCC1CN(c2ccnc(F)n2)C1 575597174 352859173 /nfs/dbraw/zinc/85/91/73/352859173.db2.gz QOJSDUDEWIFTEU-UHFFFAOYSA-N 0 0 181.214 1.462 10 0 ADAERN Fc1nccnc1N1CC[C@H]2C[C@H]21 575597027 352859180 /nfs/dbraw/zinc/85/91/80/352859180.db2.gz WKQOLVNEJNHMKR-NKWVEPMBSA-N 0 0 179.198 1.214 10 0 ADAERN Cc1cnc(F)nc1-n1cccn1 575596946 352859189 /nfs/dbraw/zinc/85/91/89/352859189.db2.gz FAHHNMRDRODRIW-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN C[C@H]1CCN1c1cc(Cl)ncn1 575596911 352859194 /nfs/dbraw/zinc/85/91/94/352859194.db2.gz MZDFFGVQTXOTGL-LURJTMIESA-N 0 0 183.642 1.729 10 0 ADAERN COc1cnc([C@@H]2C[C@@H]2C)nc1F 575597130 352859197 /nfs/dbraw/zinc/85/91/97/352859197.db2.gz PKRKHEUODCZVIU-NTSWFWBYSA-N 0 0 182.198 1.748 10 0 ADAERN Fc1ccnc(CC(F)(F)F)n1 575597140 352859199 /nfs/dbraw/zinc/85/91/99/352859199.db2.gz KLGICUHURZJADH-UHFFFAOYSA-N 0 0 180.104 1.721 10 0 ADAERN CC1(c2nccc(F)n2)CC1 575597067 352859203 /nfs/dbraw/zinc/85/92/03/352859203.db2.gz ZWRADQTZVCEFKZ-UHFFFAOYSA-N 0 0 152.172 1.667 10 0 ADAERN C[C@H]1CCN1c1ccnc(F)c1 575596919 352859207 /nfs/dbraw/zinc/85/92/07/352859207.db2.gz NHGNAFDHBGPKCK-ZETCQYMHSA-N 0 0 166.199 1.819 10 0 ADAERN Fc1ccnc(CC2CCC2)n1 575596901 352859212 /nfs/dbraw/zinc/85/92/12/352859212.db2.gz MCZDTPWYRZVEBT-UHFFFAOYSA-N 0 0 166.199 1.958 10 0 ADAERN CC(C)(C)Oc1cncc(F)n1 575597181 352859224 /nfs/dbraw/zinc/85/92/24/352859224.db2.gz RIBRDMFRCHIMDR-UHFFFAOYSA-N 0 0 170.187 1.793 10 0 ADAERN CCCCc1nccc(F)n1 575597186 352859252 /nfs/dbraw/zinc/85/92/52/352859252.db2.gz SRWCJVQKYYJFOD-UHFFFAOYSA-N 0 0 154.188 1.958 10 0 ADAERN CCc1nc(C)cc(F)n1 575597015 352859267 /nfs/dbraw/zinc/85/92/67/352859267.db2.gz VYTFDOOMFDMTGD-UHFFFAOYSA-N 0 0 140.161 1.487 10 0 ADAERN CCOc1ncnc(F)c1C 575597048 352859272 /nfs/dbraw/zinc/85/92/72/352859272.db2.gz LVCMTAYETUBTPX-UHFFFAOYSA-N 0 0 156.160 1.323 10 0 ADAERN CCCc1cc(F)nc(C)n1 575597082 352859292 /nfs/dbraw/zinc/85/92/92/352859292.db2.gz LYIXHKRXWOGUHS-UHFFFAOYSA-N 0 0 154.188 1.877 10 0 ADAERN Fc1ncnc2c1CCC2 575596923 352859296 /nfs/dbraw/zinc/85/92/96/352859296.db2.gz PKDXZMFMFFIABP-UHFFFAOYSA-N 0 0 138.145 1.104 10 0 ADAERN CCc1cc(F)nc(C)n1 575597188 352859303 /nfs/dbraw/zinc/85/93/03/352859303.db2.gz UWZLJLDJSYYOOK-UHFFFAOYSA-N 0 0 140.161 1.487 10 0 ADAERN COc1cnc([C@H]2C[C@H]2C)nc1F 575597133 352859320 /nfs/dbraw/zinc/85/93/20/352859320.db2.gz PKRKHEUODCZVIU-RITPCOANSA-N 0 0 182.198 1.748 10 0 ADAERN Cn1cncc1-c1cccc(F)n1 575597044 352859322 /nfs/dbraw/zinc/85/93/22/352859322.db2.gz XJQWKHAMPSPDMH-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN Fc1cc(F)nc([C@H]2CCCO2)n1 575597063 352859333 /nfs/dbraw/zinc/85/93/33/352859333.db2.gz ZCDWKYIGRYNTDT-RXMQYKEDSA-N 0 0 186.161 1.606 10 0 ADAERN Cc1cnc(F)nc1N(C)C1CC1 575597189 352859342 /nfs/dbraw/zinc/85/93/42/352859342.db2.gz UYKWAJKFHNPTKS-UHFFFAOYSA-N 0 0 181.214 1.523 10 0 ADAERN Cc1nnc(Cl)n1CC(C)(F)F 575596984 352859346 /nfs/dbraw/zinc/85/93/46/352859346.db2.gz SUTNWYDXNGVSFU-UHFFFAOYSA-N 0 0 195.600 1.895 10 0 ADAERN Cn1c([C@H]2CC[C@@H]2O)cnc1Cl 575597377 352859835 /nfs/dbraw/zinc/85/98/35/352859835.db2.gz DEGBGIRDWLLURS-VDTYLAMSSA-N 0 0 186.642 1.312 10 0 ADAERN C[C@@H]1CN(c2ccnc(Cl)n2)[C@@H]1C 575597253 352859743 /nfs/dbraw/zinc/85/97/43/352859743.db2.gz WSIQYZJKRDCSCR-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN Fc1nc(CC2CC2)nc(F)c1F 575597291 352859746 /nfs/dbraw/zinc/85/97/46/352859746.db2.gz XJWPTJCHCQMMPZ-UHFFFAOYSA-N 0 0 188.152 1.846 10 0 ADAERN Clc1nccnc1[C@H]1CCCO1 575597310 352859753 /nfs/dbraw/zinc/85/97/53/352859753.db2.gz ZCACHLSDZBQIOL-ZCFIWIBFSA-N 0 0 184.626 1.982 10 0 ADAERN C[C@H]1C[C@]1(O)c1cnc(Cl)n1C 575597536 352859754 /nfs/dbraw/zinc/85/97/54/352859754.db2.gz PYXAAQSOXSEAEQ-YLWLKBPMSA-N 0 0 186.642 1.301 10 0 ADAERN Cc1cnc(F)nc1OC(C)C 575597271 352859756 /nfs/dbraw/zinc/85/97/56/352859756.db2.gz YRXIREDRLVYHQE-UHFFFAOYSA-N 0 0 170.187 1.711 10 0 ADAERN Clc1noc([C@@H]2CC23CC3)n1 575597217 352859763 /nfs/dbraw/zinc/85/97/63/352859763.db2.gz SZXTTYGOFFHEDD-BYPYZUCNSA-N 0 0 170.599 1.991 10 0 ADAERN Cn1c([C@@H]2CC[C@@H]2O)cnc1Cl 575597374 352859764 /nfs/dbraw/zinc/85/97/64/352859764.db2.gz DEGBGIRDWLLURS-FSPLSTOPSA-N 0 0 186.642 1.312 10 0 ADAERN CC1CN(c2nccnc2Cl)C1 575597206 352859774 /nfs/dbraw/zinc/85/97/74/352859774.db2.gz QYYFPXYKQKIYHE-UHFFFAOYSA-N 0 0 183.642 1.586 10 0 ADAERN C[C@H]1C[C@@]1(O)c1cnc(Cl)n1C 575597532 352859781 /nfs/dbraw/zinc/85/97/81/352859781.db2.gz PYXAAQSOXSEAEQ-XNCJUZBTSA-N 0 0 186.642 1.301 10 0 ADAERN N#CNc1ccc(F)nc1F 575597256 352859783 /nfs/dbraw/zinc/85/97/83/352859783.db2.gz WZHGFTXQKMVPAC-UHFFFAOYSA-N 0 0 155.107 1.253 10 0 ADAERN C[C@@H]1OCc2ncnc(F)c21 575597509 352859785 /nfs/dbraw/zinc/85/97/85/352859785.db2.gz LCZJIKLKPPPLPQ-BYPYZUCNSA-N 0 0 154.144 1.207 10 0 ADAERN Cn1cncc1-c1cnc(Cl)cn1 575597468 352859787 /nfs/dbraw/zinc/85/97/87/352859787.db2.gz LNHLOJFTGHWYBX-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cn1c([C@@H]2CC[C@H]2O)cnc1Cl 575597372 352859790 /nfs/dbraw/zinc/85/97/90/352859790.db2.gz DEGBGIRDWLLURS-CAHLUQPWSA-N 0 0 186.642 1.312 10 0 ADAERN C[C@@H]1CCN1Cc1ccc(Cl)nn1 575597365 352859802 /nfs/dbraw/zinc/85/98/02/352859802.db2.gz CRKDFEHSSTYCFD-SSDOTTSWSA-N 0 0 197.669 1.724 10 0 ADAERN Fc1cncc(OC2CCCC2)n1 575597341 352859812 /nfs/dbraw/zinc/85/98/12/352859812.db2.gz BGZSOTQXBBFFLC-UHFFFAOYSA-N 0 0 182.198 1.937 10 0 ADAERN CC(C)c1cc(F)nc(N(C)C)n1 575597387 352859817 /nfs/dbraw/zinc/85/98/17/352859817.db2.gz DLLWAGZRLIDVTN-UHFFFAOYSA-N 0 0 183.230 1.805 10 0 ADAERN Clc1nncn1C1CSC1 575597237 352859819 /nfs/dbraw/zinc/85/98/19/352859819.db2.gz ZOWSXOZVHBODQQ-UHFFFAOYSA-N 0 0 175.644 1.219 10 0 ADAERN Cn1nccc1-c1nccc(F)n1 575597246 352859827 /nfs/dbraw/zinc/85/98/27/352859827.db2.gz VTSNKGIQEZEQIK-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN CCc1c(F)nc(C)nc1F 575597469 352859829 /nfs/dbraw/zinc/85/98/29/352859829.db2.gz LNWDRZGWDNJKFE-UHFFFAOYSA-N 0 0 158.151 1.626 10 0 ADAERN Fc1nccc(OC2CCC2)n1 575597421 352859831 /nfs/dbraw/zinc/85/98/31/352859831.db2.gz JBMRFCLOWWFZLD-UHFFFAOYSA-N 0 0 168.171 1.547 10 0 ADAERN Fc1ccnc(-c2cncs2)n1 575597495 352859833 /nfs/dbraw/zinc/85/98/33/352859833.db2.gz JNXOJPKDOVAZRR-UHFFFAOYSA-N 0 0 181.195 1.739 10 0 ADAERN Cn1cnc(-c2cncc(Cl)n2)c1 575597337 352859837 /nfs/dbraw/zinc/85/98/37/352859837.db2.gz AJGCHGKEEKXCMY-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CCOc1nc(F)ncc1Cl 575597537 352859852 /nfs/dbraw/zinc/85/98/52/352859852.db2.gz ALNWTQRWEXNQDZ-UHFFFAOYSA-N 0 0 176.578 1.668 10 0 ADAERN Clc1cnc(N2CC=CCN2)cn1 575597461 352859867 /nfs/dbraw/zinc/85/98/67/352859867.db2.gz HHISVKUYIAGMSJ-UHFFFAOYSA-N 0 0 196.641 1.011 10 0 ADAERN Fc1cc(F)nc(C2CC2)n1 575597236 352859874 /nfs/dbraw/zinc/85/98/74/352859874.db2.gz YZYMJMLUNKKGIN-UHFFFAOYSA-N 0 0 156.135 1.632 10 0 ADAERN CSCCc1nccc(F)n1 575597542 352859884 /nfs/dbraw/zinc/85/98/84/352859884.db2.gz BEBQAIJJYCZNQJ-UHFFFAOYSA-N 0 0 172.228 1.521 10 0 ADAERN Fc1nc(C2CC2)ns1 575597299 352859889 /nfs/dbraw/zinc/85/98/89/352859889.db2.gz XWHBLWRSHBUAOG-UHFFFAOYSA-N 0 0 144.174 1.555 10 0 ADAERN CCc1nc(F)c(C)c(F)n1 575597329 352859893 /nfs/dbraw/zinc/85/98/93/352859893.db2.gz ACFUZBDTAYTEMF-UHFFFAOYSA-N 0 0 158.151 1.626 10 0 ADAERN C[C@@H]1CCN1Cc1cnc(Cl)cn1 575597540 352859895 /nfs/dbraw/zinc/85/98/95/352859895.db2.gz AXDLOJJTEMPKBF-SSDOTTSWSA-N 0 0 197.669 1.724 10 0 ADAERN C[C@H]1CN(c2ccnc(Cl)n2)[C@H]1C 575597251 352859900 /nfs/dbraw/zinc/85/99/00/352859900.db2.gz WSIQYZJKRDCSCR-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@@H]1COC[C@H]1c1nc(Cl)no1 575597354 352859903 /nfs/dbraw/zinc/85/99/03/352859903.db2.gz AOLNEPKPZFZBAO-RFZPGFLSSA-N 0 0 188.614 1.473 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ccnc(Cl)n1 575597254 352859905 /nfs/dbraw/zinc/85/99/05/352859905.db2.gz WSIQYZJKRDCSCR-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN Cn1cncc1-c1cnc(F)nc1 575597400 352859912 /nfs/dbraw/zinc/85/99/12/352859912.db2.gz FNSPRZKBBWZBNE-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN Cc1cnn(-c2ccnc(F)n2)c1 575597868 352860943 /nfs/dbraw/zinc/86/09/43/352860943.db2.gz DYPBPJQBAPFEJZ-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN C[C@H]1CCN1Cc1cnc(Cl)cn1 575597541 352859918 /nfs/dbraw/zinc/85/99/18/352859918.db2.gz AXDLOJJTEMPKBF-ZETCQYMHSA-N 0 0 197.669 1.724 10 0 ADAERN C[C@H]1CN(c2ccnc(Cl)n2)[C@@H]1C 575597252 352859930 /nfs/dbraw/zinc/85/99/30/352859930.db2.gz WSIQYZJKRDCSCR-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN Cn1c([C@H]2CC[C@H]2O)cnc1Cl 575597376 352859933 /nfs/dbraw/zinc/85/99/33/352859933.db2.gz DEGBGIRDWLLURS-IYSWYEEDSA-N 0 0 186.642 1.312 10 0 ADAERN CC(C)Oc1ccnc(F)n1 575597202 352859935 /nfs/dbraw/zinc/85/99/35/352859935.db2.gz VPPHOFGCOZQBCA-UHFFFAOYSA-N 0 0 156.160 1.403 10 0 ADAERN CCc1ncnc(F)c1C 575597227 352859939 /nfs/dbraw/zinc/85/99/39/352859939.db2.gz YKORAYAUFNLMSJ-UHFFFAOYSA-N 0 0 140.161 1.487 10 0 ADAERN C[C@H]1OCc2ncnc(F)c21 575597510 352859952 /nfs/dbraw/zinc/85/99/52/352859952.db2.gz LCZJIKLKPPPLPQ-SCSAIBSYSA-N 0 0 154.144 1.207 10 0 ADAERN C[C@H]1COC[C@H]1c1nc(Cl)no1 575597353 352859955 /nfs/dbraw/zinc/85/99/55/352859955.db2.gz AOLNEPKPZFZBAO-CRCLSJGQSA-N 0 0 188.614 1.473 10 0 ADAERN N#CNc1cccc(Cl)n1 575597226 352859963 /nfs/dbraw/zinc/85/99/63/352859963.db2.gz VCGBJQNDBAQSLD-UHFFFAOYSA-N 0 0 153.572 1.628 10 0 ADAERN Clc1noc([C@H]2CC23CC3)n1 575597219 352859970 /nfs/dbraw/zinc/85/99/70/352859970.db2.gz SZXTTYGOFFHEDD-SCSAIBSYSA-N 0 0 170.599 1.991 10 0 ADAERN C[C@H]1COC[C@@H]1c1nc(Cl)no1 575597356 352859975 /nfs/dbraw/zinc/85/99/75/352859975.db2.gz AOLNEPKPZFZBAO-WHFBIAKZSA-N 0 0 188.614 1.473 10 0 ADAERN Clc1noc(-c2cccnn2)n1 575597494 352859980 /nfs/dbraw/zinc/85/99/80/352859980.db2.gz JLZULWZHGQDBOP-UHFFFAOYSA-N 0 0 182.570 1.180 10 0 ADAERN Clc1nccnc1[C@@H]1CCCO1 575597309 352859982 /nfs/dbraw/zinc/85/99/82/352859982.db2.gz ZCACHLSDZBQIOL-LURJTMIESA-N 0 0 184.626 1.982 10 0 ADAERN C[C@@H]1COC[C@@H]1c1nc(Cl)no1 575597355 352859986 /nfs/dbraw/zinc/85/99/86/352859986.db2.gz AOLNEPKPZFZBAO-UHNVWZDZSA-N 0 0 188.614 1.473 10 0 ADAERN Cc1nc(F)c2c(n1)CSC2 575597350 352859989 /nfs/dbraw/zinc/85/99/89/352859989.db2.gz ANCBFOFQSFXLQG-UHFFFAOYSA-N 0 0 170.212 1.671 10 0 ADAERN C[C@H]1CCN1Cc1ccc(Cl)nn1 575597367 352859991 /nfs/dbraw/zinc/85/99/91/352859991.db2.gz CRKDFEHSSTYCFD-ZETCQYMHSA-N 0 0 197.669 1.724 10 0 ADAERN C[C@@H]1C[C@]1(O)c1cnc(Cl)n1C 575597531 352859997 /nfs/dbraw/zinc/85/99/97/352859997.db2.gz PYXAAQSOXSEAEQ-SVGQVSJJSA-N 0 0 186.642 1.301 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1cnc(Cl)n1C 575597533 352860000 /nfs/dbraw/zinc/86/00/00/352860000.db2.gz PYXAAQSOXSEAEQ-XRGYYRRGSA-N 0 0 186.642 1.301 10 0 ADAERN Fc1cc(N2CC[C@@H]3C[C@@H]32)ncn1 575597630 352860241 /nfs/dbraw/zinc/86/02/41/352860241.db2.gz JSIADXBBWGRJHL-RQJHMYQMSA-N 0 0 179.198 1.214 10 0 ADAERN CCc1cc(N2CCC2)nc(Cl)n1 575597708 352860246 /nfs/dbraw/zinc/86/02/46/352860246.db2.gz RDCSERVQZYYYBO-UHFFFAOYSA-N 0 0 197.669 1.903 10 0 ADAERN Fc1cc(F)nc([C@@H]2CCOC2)n1 575597663 352860250 /nfs/dbraw/zinc/86/02/50/352860250.db2.gz OVFNXYPJRUHINT-RXMQYKEDSA-N 0 0 186.161 1.259 10 0 ADAERN Cc1cc(N(C)C(C)C)nc(F)n1 575597648 352860251 /nfs/dbraw/zinc/86/02/51/352860251.db2.gz NPCBREOBTTXICW-UHFFFAOYSA-N 0 0 183.230 1.769 10 0 ADAERN CSc1ncnc(F)c1C 575597781 352860267 /nfs/dbraw/zinc/86/02/67/352860267.db2.gz PBKBAYMKDXNVQV-UHFFFAOYSA-N 0 0 158.201 1.646 10 0 ADAERN CCC1CN(c2cc(Cl)ncn2)C1 575597597 352860275 /nfs/dbraw/zinc/86/02/75/352860275.db2.gz IIJWLNCKVLARMX-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN Fc1ccnc([C@H]2CCSC2)n1 575597739 352860281 /nfs/dbraw/zinc/86/02/81/352860281.db2.gz VGTRIGLEXKJBOY-LURJTMIESA-N 0 0 184.239 1.836 10 0 ADAERN CC[C@@H](C)n1c(Cl)nn(C)c1=O 575597791 352860287 /nfs/dbraw/zinc/86/02/87/352860287.db2.gz SFPVCISSLBECOY-RXMQYKEDSA-N 0 0 189.646 1.206 10 0 ADAERN Cn1cncc1-c1cc(F)ccn1 575597666 352860291 /nfs/dbraw/zinc/86/02/91/352860291.db2.gz OYSCLCKAIMASHG-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN Fc1cc(F)nc(CC2CC2)n1 575597787 352860299 /nfs/dbraw/zinc/86/02/99/352860299.db2.gz RCLGZJPHGQVCEH-UHFFFAOYSA-N 0 0 170.162 1.707 10 0 ADAERN Cn1cnc(-c2nccc(F)n2)c1 575597586 352860317 /nfs/dbraw/zinc/86/03/17/352860317.db2.gz GLLDKHNWDTXNSM-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN CC[C@H](C)n1c(Cl)nn(C)c1=O 575597792 352860342 /nfs/dbraw/zinc/86/03/42/352860342.db2.gz SFPVCISSLBECOY-YFKPBYRVSA-N 0 0 189.646 1.206 10 0 ADAERN CO[C@@H](C)c1nc(C)c(C)c(F)n1 575597633 352860350 /nfs/dbraw/zinc/86/03/50/352860350.db2.gz KCKTXVYEUDJGLD-ZETCQYMHSA-N 0 0 184.214 1.940 10 0 ADAERN CCc1nc(F)cc(Cl)n1 575597785 352860356 /nfs/dbraw/zinc/86/03/56/352860356.db2.gz QWLXBPPJICCJIC-UHFFFAOYSA-N 0 0 160.579 1.832 10 0 ADAERN CCC1CN(c2nccnc2F)C1 575597619 352860358 /nfs/dbraw/zinc/86/03/58/352860358.db2.gz WLVCEMBCHODWJJ-UHFFFAOYSA-N 0 0 181.214 1.462 10 0 ADAERN CCCOc1ccnc(F)n1 575597658 352860372 /nfs/dbraw/zinc/86/03/72/352860372.db2.gz KVRJPDVWZGPLGI-UHFFFAOYSA-N 0 0 156.160 1.405 10 0 ADAERN CC(C)(C)c1nsc(F)n1 575597570 352860386 /nfs/dbraw/zinc/86/03/86/352860386.db2.gz FNWVEHHLCJWNJR-UHFFFAOYSA-N 0 0 160.217 1.975 10 0 ADAERN Fc1cc(F)nc([C@H]2CCOC2)n1 575597665 352860423 /nfs/dbraw/zinc/86/04/23/352860423.db2.gz OVFNXYPJRUHINT-YFKPBYRVSA-N 0 0 186.161 1.259 10 0 ADAERN Cc1nc(C)c(C)c(F)n1 575597765 352860446 /nfs/dbraw/zinc/86/04/46/352860446.db2.gz YOTUPABHRCFJIN-UHFFFAOYSA-N 0 0 140.161 1.541 10 0 ADAERN Cn1cc(-c2cc(F)ccn2)nn1 575597762 352860459 /nfs/dbraw/zinc/86/04/59/352860459.db2.gz YKCGHBLNFQHZRG-UHFFFAOYSA-N 0 0 178.170 1.016 10 0 ADAERN CN(c1ccnc(F)n1)C1CCC1 575597674 352860463 /nfs/dbraw/zinc/86/04/63/352860463.db2.gz MKLOTSIGNJVQTG-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN Fc1cncc(OC2CCC2)n1 575597752 352860468 /nfs/dbraw/zinc/86/04/68/352860468.db2.gz XNNJWBPRYDQYGN-UHFFFAOYSA-N 0 0 168.171 1.547 10 0 ADAERN Fc1cc(N2CC[C@H]3C[C@H]32)ncn1 575597626 352860476 /nfs/dbraw/zinc/86/04/76/352860476.db2.gz JSIADXBBWGRJHL-NKWVEPMBSA-N 0 0 179.198 1.214 10 0 ADAERN C[C@H]1CCN1c1ccnc(F)n1 575597600 352860502 /nfs/dbraw/zinc/86/05/02/352860502.db2.gz TYTRCWKHXUZUTE-LURJTMIESA-N 0 0 167.187 1.214 10 0 ADAERN Cn1cncc1-c1ccc(Cl)nn1 575597625 352860506 /nfs/dbraw/zinc/86/05/06/352860506.db2.gz XIKDINZKHFESHD-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Fc1ncc(-c2cncs2)cn1 575597673 352860510 /nfs/dbraw/zinc/86/05/10/352860510.db2.gz MJNDXQZMTMWXHV-UHFFFAOYSA-N 0 0 181.195 1.739 10 0 ADAERN CC1CN(c2cc(F)nc(F)n2)C1 575597776 352860519 /nfs/dbraw/zinc/86/05/19/352860519.db2.gz ZTKLAXAVEQCTFL-UHFFFAOYSA-N 0 0 185.177 1.211 10 0 ADAERN Cc1nc(Cl)nc(N2CC(C)C2)n1 575597779 352860524 /nfs/dbraw/zinc/86/05/24/352860524.db2.gz OYTABQUOWZDVNB-UHFFFAOYSA-N 0 0 198.657 1.290 10 0 ADAERN Cc1nc(F)cc(Cl)n1 575597654 352860527 /nfs/dbraw/zinc/86/05/27/352860527.db2.gz OKDHCBRGRWHJBY-UHFFFAOYSA-N 0 0 146.552 1.578 10 0 ADAERN CC[C@](C)(O)c1cnc(Cl)n1C 575597768 352860533 /nfs/dbraw/zinc/86/05/33/352860533.db2.gz YUYILDATFNIVFX-QMMMGPOBSA-N 0 0 188.658 1.691 10 0 ADAERN Cc1c(F)nc(C2CC2)nc1F 575597662 352860541 /nfs/dbraw/zinc/86/05/41/352860541.db2.gz KXWDIDGTWFTRST-UHFFFAOYSA-N 0 0 170.162 1.941 10 0 ADAERN Fc1cc(OC2CCC2)nc(F)n1 575597562 352860544 /nfs/dbraw/zinc/86/05/44/352860544.db2.gz QFHFREYOZPYGBK-UHFFFAOYSA-N 0 0 186.161 1.686 10 0 ADAERN Fc1ccnc(C2CSC2)n1 575597661 352860563 /nfs/dbraw/zinc/86/05/63/352860563.db2.gz OQAJQJOKILLDBH-UHFFFAOYSA-N 0 0 170.212 1.446 10 0 ADAERN CO[C@H](C)c1nc(C)c(C)c(F)n1 575597631 352860567 /nfs/dbraw/zinc/86/05/67/352860567.db2.gz KCKTXVYEUDJGLD-SSDOTTSWSA-N 0 0 184.214 1.940 10 0 ADAERN CC[C@@](C)(O)c1cnc(Cl)n1C 575597767 352860575 /nfs/dbraw/zinc/86/05/75/352860575.db2.gz YUYILDATFNIVFX-MRVPVSSYSA-N 0 0 188.658 1.691 10 0 ADAERN C[C@@H]1CCN1c1ccnc(F)n1 575597602 352860578 /nfs/dbraw/zinc/86/05/78/352860578.db2.gz TYTRCWKHXUZUTE-ZCFIWIBFSA-N 0 0 167.187 1.214 10 0 ADAERN Cc1cc(NC#N)cnc1Cl 575597701 352860584 /nfs/dbraw/zinc/86/05/84/352860584.db2.gz QGALYMSCVUFPMC-UHFFFAOYSA-N 0 0 167.599 1.936 10 0 ADAERN CN(c1cncc(F)n1)C1CCC1 575597585 352860596 /nfs/dbraw/zinc/86/05/96/352860596.db2.gz GHDNTRHUSJGCCV-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN Fc1nccnc1C1CC1 575597757 352860599 /nfs/dbraw/zinc/86/05/99/352860599.db2.gz YBXOWEUBCZCVSE-UHFFFAOYSA-N 0 0 138.145 1.493 10 0 ADAERN Fc1ccnc([C@@H]2CCSC2)n1 575597740 352860601 /nfs/dbraw/zinc/86/06/01/352860601.db2.gz VGTRIGLEXKJBOY-ZCFIWIBFSA-N 0 0 184.239 1.836 10 0 ADAERN CC1CN(c2nccnc2F)C1 575597788 352860604 /nfs/dbraw/zinc/86/06/04/352860604.db2.gz RCWRHOVPEROBRB-UHFFFAOYSA-N 0 0 167.187 1.072 10 0 ADAERN Fc1nc(C2CC2)nc(F)c1F 575597558 352860609 /nfs/dbraw/zinc/86/06/09/352860609.db2.gz DSDUQDXZXFRQAY-UHFFFAOYSA-N 0 0 174.125 1.771 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(F)cc(F)n1 575597802 352861017 /nfs/dbraw/zinc/86/10/17/352861017.db2.gz UDHILUXKLCBDSX-UHNVWZDZSA-N 0 0 170.162 1.878 10 0 ADAERN CCc1cc(F)nc(CC)n1 575597569 352860622 /nfs/dbraw/zinc/86/06/22/352860622.db2.gz FENMCSGNHNZUGY-UHFFFAOYSA-N 0 0 154.188 1.741 10 0 ADAERN CCc1c(C)nc(C)nc1F 575597676 352860626 /nfs/dbraw/zinc/86/06/26/352860626.db2.gz MQIUGOPDICJZQC-UHFFFAOYSA-N 0 0 154.188 1.795 10 0 ADAERN CO[C@H]1C[C@H]1c1nnc(Cl)s1 575597847 352860876 /nfs/dbraw/zinc/86/08/76/352860876.db2.gz BUJKFCCSGHSDEV-DMTCNVIQSA-N 0 0 190.655 1.694 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(F)cc(F)n1 575597801 352860881 /nfs/dbraw/zinc/86/08/81/352860881.db2.gz UDHILUXKLCBDSX-RFZPGFLSSA-N 0 0 170.162 1.878 10 0 ADAERN Cc1nc(Cl)c(C)c(N(C)N)n1 575597812 352860886 /nfs/dbraw/zinc/86/08/86/352860886.db2.gz VCMJPLWFWKEBAO-UHFFFAOYSA-N 0 0 186.646 1.057 10 0 ADAERN Cc1cnc(Cl)nc1N1CC(C)C1 575597798 352860889 /nfs/dbraw/zinc/86/08/89/352860889.db2.gz SWTQCGBCTHSDAE-UHFFFAOYSA-N 0 0 197.669 1.895 10 0 ADAERN CO[C@H]1C[C@H](n2cnnc2Cl)C1 575597912 352860891 /nfs/dbraw/zinc/86/08/91/352860891.db2.gz KTMKQPGBCLVJMQ-IZLXSQMJSA-N 0 0 187.630 1.281 10 0 ADAERN CO[C@H]1C[C@@H]1c1nnc(Cl)s1 575597848 352860897 /nfs/dbraw/zinc/86/08/97/352860897.db2.gz BUJKFCCSGHSDEV-IMJSIDKUSA-N 0 0 190.655 1.694 10 0 ADAERN Fc1ccnc(-c2nccs2)n1 575597997 352860901 /nfs/dbraw/zinc/86/09/01/352860901.db2.gz WJGGJVSUDZEKQI-UHFFFAOYSA-N 0 0 181.195 1.739 10 0 ADAERN CO[C@H]1C[C@@H]1c1nnc(Cl)o1 575598001 352860906 /nfs/dbraw/zinc/86/09/06/352860906.db2.gz XBRXBPDGYWABCB-IMJSIDKUSA-N 0 0 174.587 1.225 10 0 ADAERN Cc1cnc(F)nc1N1CCC1 575597954 352860916 /nfs/dbraw/zinc/86/09/16/352860916.db2.gz RDHQLXXTOAUNQL-UHFFFAOYSA-N 0 0 167.187 1.134 10 0 ADAERN CO[C@H]1C[C@H]1c1nnc(Cl)o1 575598000 352860920 /nfs/dbraw/zinc/86/09/20/352860920.db2.gz XBRXBPDGYWABCB-DMTCNVIQSA-N 0 0 174.587 1.225 10 0 ADAERN C[C@H]1C[C@H]1c1nc(F)cc(F)n1 575597800 352860922 /nfs/dbraw/zinc/86/09/22/352860922.db2.gz UDHILUXKLCBDSX-CRCLSJGQSA-N 0 0 170.162 1.878 10 0 ADAERN Cc1nc(Cl)nc(N2CC[C@@H]2C)n1 575597937 352860925 /nfs/dbraw/zinc/86/09/25/352860925.db2.gz OIEDMJNPMHGBIH-YFKPBYRVSA-N 0 0 198.657 1.432 10 0 ADAERN CO[C@@H]1C[C@@H]1c1nnc(Cl)o1 575598002 352860928 /nfs/dbraw/zinc/86/09/28/352860928.db2.gz XBRXBPDGYWABCB-IUYQGCFVSA-N 0 0 174.587 1.225 10 0 ADAERN CO[C@@H]1C[C@H]1c1nnc(Cl)s1 575597850 352860956 /nfs/dbraw/zinc/86/09/56/352860956.db2.gz BUJKFCCSGHSDEV-QWWZWVQMSA-N 0 0 190.655 1.694 10 0 ADAERN Cc1cnc(F)nc1OC1CCC1 575597981 352860965 /nfs/dbraw/zinc/86/09/65/352860965.db2.gz UXTLVSLGJVXHHN-UHFFFAOYSA-N 0 0 182.198 1.855 10 0 ADAERN CC1(c2nc(F)c(F)c(F)n2)CC1 575597811 352860968 /nfs/dbraw/zinc/86/09/68/352860968.db2.gz VCELIXNUEJLNEV-UHFFFAOYSA-N 0 0 188.152 1.945 10 0 ADAERN Cc1cc(-n2cccn2)nc(F)n1 575597907 352860971 /nfs/dbraw/zinc/86/09/71/352860971.db2.gz JZZICBHQLSXFCW-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN CC1CN(c2nsnc2Cl)C1 575597826 352860974 /nfs/dbraw/zinc/86/09/74/352860974.db2.gz YKWVBFFIWHARBR-UHFFFAOYSA-N 0 0 189.671 1.648 10 0 ADAERN N#CNc1ccc(F)nc1 575597830 352860980 /nfs/dbraw/zinc/86/09/80/352860980.db2.gz ZSIQRSKKQALPQP-UHFFFAOYSA-N 0 0 137.117 1.114 10 0 ADAERN Fc1ccnc(-c2cscn2)n1 575597915 352860983 /nfs/dbraw/zinc/86/09/83/352860983.db2.gz LMWUDIKHDUYYKU-UHFFFAOYSA-N 0 0 181.195 1.739 10 0 ADAERN Cc1nc(Cl)nc(N2CC[C@H]2C)n1 575597936 352860987 /nfs/dbraw/zinc/86/09/87/352860987.db2.gz OIEDMJNPMHGBIH-RXMQYKEDSA-N 0 0 198.657 1.432 10 0 ADAERN CO[C@@H]1C[C@@H]1c1nnc(Cl)s1 575597849 352860991 /nfs/dbraw/zinc/86/09/91/352860991.db2.gz BUJKFCCSGHSDEV-IUYQGCFVSA-N 0 0 190.655 1.694 10 0 ADAERN CCC1CN(c2cnc(Cl)cn2)C1 575597916 352860994 /nfs/dbraw/zinc/86/09/94/352860994.db2.gz LQIXOYJQHUCNDH-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN CCc1nc(F)c2c(n1)CCC2 575597920 352861000 /nfs/dbraw/zinc/86/10/00/352861000.db2.gz MNLWUNWNIZXDOZ-UHFFFAOYSA-N 0 0 166.199 1.667 10 0 ADAERN Cc1nc(Cl)nc(OC2CCC2)n1 575597804 352861022 /nfs/dbraw/zinc/86/10/22/352861022.db2.gz ULYYPMIXPMIOAA-UHFFFAOYSA-N 0 0 199.641 1.765 10 0 ADAERN Clc1nc([C@@H]2CC23CC3)no1 575597987 352861045 /nfs/dbraw/zinc/86/10/45/352861045.db2.gz VGJBRARPGBDKSL-BYPYZUCNSA-N 0 0 170.599 1.991 10 0 ADAERN Cc1ccn(-c2ccnc(F)n2)n1 575598006 352861059 /nfs/dbraw/zinc/86/10/59/352861059.db2.gz XSFAFHDAAUHRGO-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN Cn1c([C@H](O)C2CC2)cnc1Cl 575598021 352861079 /nfs/dbraw/zinc/86/10/79/352861079.db2.gz ZDYGZDQWAJZOOZ-SSDOTTSWSA-N 0 0 186.642 1.517 10 0 ADAERN Fc1nc(C2CC2)nc2c1CCC2 575597864 352861081 /nfs/dbraw/zinc/86/10/81/352861081.db2.gz DMLFRMGOGOCEIW-UHFFFAOYSA-N 0 0 178.210 1.982 10 0 ADAERN Cn1c([C@@H](O)C2CC2)cnc1Cl 575598022 352861095 /nfs/dbraw/zinc/86/10/95/352861095.db2.gz ZDYGZDQWAJZOOZ-ZETCQYMHSA-N 0 0 186.642 1.517 10 0 ADAERN CO[C@@H]1C[C@H]1c1nnc(Cl)o1 575598003 352861100 /nfs/dbraw/zinc/86/11/00/352861100.db2.gz XBRXBPDGYWABCB-QWWZWVQMSA-N 0 0 174.587 1.225 10 0 ADAERN C[C@H]1C[C@@H]1c1nc(F)cc(F)n1 575597803 352861104 /nfs/dbraw/zinc/86/11/04/352861104.db2.gz UDHILUXKLCBDSX-WHFBIAKZSA-N 0 0 170.162 1.878 10 0 ADAERN Clc1nc([C@H]2CC23CC3)no1 575597988 352861109 /nfs/dbraw/zinc/86/11/09/352861109.db2.gz VGJBRARPGBDKSL-SCSAIBSYSA-N 0 0 170.599 1.991 10 0 ADAERN Fc1nccc(N2CCCC2)n1 575598294 352861456 /nfs/dbraw/zinc/86/14/56/352861456.db2.gz GUMDGIAKKOFQPV-UHFFFAOYSA-N 0 0 167.187 1.216 10 0 ADAERN C[C@H]1CCN1c1cnc(Cl)cn1 575599149 352861463 /nfs/dbraw/zinc/86/14/63/352861463.db2.gz WVMJIXMYZBEPMO-LURJTMIESA-N 0 0 183.642 1.729 10 0 ADAERN C[C@H]1CN(c2cc(Cl)ncn2)[C@H]1C 575598240 352861476 /nfs/dbraw/zinc/86/14/76/352861476.db2.gz ZMASTAKKOXWNHB-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN CCN(C)c1nc(F)ncc1Cl 575598194 352861509 /nfs/dbraw/zinc/86/15/09/352861509.db2.gz VBIXPXURGUODEM-UHFFFAOYSA-N 0 0 189.621 1.725 10 0 ADAERN Fc1cc(F)nc(-c2cscn2)n1 575598146 352861519 /nfs/dbraw/zinc/86/15/19/352861519.db2.gz OGIAXYOUKLRZEI-UHFFFAOYSA-N 0 0 199.185 1.878 10 0 ADAERN Cn1ccc(Cc2nc(Cl)no2)n1 575599118 352861522 /nfs/dbraw/zinc/86/15/22/352861522.db2.gz UUFOVRREOBOXPN-UHFFFAOYSA-N 0 0 198.613 1.047 10 0 ADAERN CCOc1cc(F)nc(F)n1 575598224 352861525 /nfs/dbraw/zinc/86/15/25/352861525.db2.gz XQGKKZCJMLENLH-UHFFFAOYSA-N 0 0 160.123 1.154 10 0 ADAERN CCOc1cc(C)nc(F)n1 575598371 352861532 /nfs/dbraw/zinc/86/15/32/352861532.db2.gz QVYAOUWALABWIL-UHFFFAOYSA-N 0 0 156.160 1.323 10 0 ADAERN Cc1nnccc1-c1nc(Cl)no1 575599045 352861537 /nfs/dbraw/zinc/86/15/37/352861537.db2.gz LVFFWFJZZNGVOA-UHFFFAOYSA-N 0 0 196.597 1.488 10 0 ADAERN Fc1cc(F)nc(-c2nccs2)n1 575598161 352861540 /nfs/dbraw/zinc/86/15/40/352861540.db2.gz PMVZVGDMEZZKLZ-UHFFFAOYSA-N 0 0 199.185 1.878 10 0 ADAERN CCc1c(F)nc(N(C)C)nc1F 575598188 352861545 /nfs/dbraw/zinc/86/15/45/352861545.db2.gz TYENLHZKOWBXEZ-UHFFFAOYSA-N 0 0 187.193 1.383 10 0 ADAERN CCC1CN(c2cncc(Cl)n2)C1 575598254 352861549 /nfs/dbraw/zinc/86/15/49/352861549.db2.gz AOMDYLVUCOUFDO-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN C[C@@H]1CN(c2cc(Cl)ncn2)[C@@H]1C 575598242 352861569 /nfs/dbraw/zinc/86/15/69/352861569.db2.gz ZMASTAKKOXWNHB-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN CCc1nc(Cl)cc(N(C)N)n1 575598138 352861575 /nfs/dbraw/zinc/86/15/75/352861575.db2.gz OCBUHIRFXROMQL-UHFFFAOYSA-N 0 0 186.646 1.002 10 0 ADAERN COCc1nc(F)c2c(n1)CCC2 575598897 352861578 /nfs/dbraw/zinc/86/15/78/352861578.db2.gz CQPKUYNFFXOHMO-UHFFFAOYSA-N 0 0 182.198 1.251 10 0 ADAERN CCc1ncc(OC)c(F)n1 575598357 352861579 /nfs/dbraw/zinc/86/15/79/352861579.db2.gz OHQMQISNCFIZSC-UHFFFAOYSA-N 0 0 156.160 1.187 10 0 ADAERN Fc1cc(F)nc(-c2cncs2)n1 575598308 352861588 /nfs/dbraw/zinc/86/15/88/352861588.db2.gz IHTHDNCWMIPDLZ-UHFFFAOYSA-N 0 0 199.185 1.878 10 0 ADAERN CC1CN(c2cc(F)ncn2)C1 575598861 352861593 /nfs/dbraw/zinc/86/15/93/352861593.db2.gz BPMIXWFNQNDLBZ-UHFFFAOYSA-N 0 0 167.187 1.072 10 0 ADAERN CC1(C)CCN1c1ccnc(F)n1 575599156 352861600 /nfs/dbraw/zinc/86/16/00/352861600.db2.gz XWDLKKUSLOQTHN-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN CN(c1cncc(F)n1)C1CC1 575598256 352861605 /nfs/dbraw/zinc/86/16/05/352861605.db2.gz AVEDWFYNXDQSPC-UHFFFAOYSA-N 0 0 167.187 1.214 10 0 ADAERN CCC1CN(c2nccnc2Cl)C1 575598321 352861614 /nfs/dbraw/zinc/86/16/14/352861614.db2.gz JMJHQLBQQDRBOF-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN Cc1cnc(F)nc1N(C)C(C)C 575598365 352861622 /nfs/dbraw/zinc/86/16/22/352861622.db2.gz PTCIWJZJZGLLCU-UHFFFAOYSA-N 0 0 183.230 1.769 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cc(Cl)ncn1 575598243 352861624 /nfs/dbraw/zinc/86/16/24/352861624.db2.gz ZMASTAKKOXWNHB-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1c(F)ncnc1OC1CCC1 575598299 352861635 /nfs/dbraw/zinc/86/16/35/352861635.db2.gz HMPPCZVFIHSVHP-UHFFFAOYSA-N 0 0 182.198 1.855 10 0 ADAERN Cc1cnc(F)nc1N1CC(C)C1 575598157 352861652 /nfs/dbraw/zinc/86/16/52/352861652.db2.gz PDDYHCUXNDCZBW-UHFFFAOYSA-N 0 0 181.214 1.380 10 0 ADAERN C[C@@H]1CCN1c1cnc(Cl)cn1 575599150 352861656 /nfs/dbraw/zinc/86/16/56/352861656.db2.gz WVMJIXMYZBEPMO-ZCFIWIBFSA-N 0 0 183.642 1.729 10 0 ADAERN CC1CN(c2ccc(Cl)nn2)C1 575598358 352861661 /nfs/dbraw/zinc/86/16/61/352861661.db2.gz OOWAUGFSLJQLSP-UHFFFAOYSA-N 0 0 183.642 1.586 10 0 ADAERN Cc1c(F)ncnc1-n1cccn1 575598915 352861665 /nfs/dbraw/zinc/86/16/65/352861665.db2.gz FEBWLHKYTYIIRD-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN Cn1c(C(C)(C)O)cnc1Cl 575598399 352861672 /nfs/dbraw/zinc/86/16/72/352861672.db2.gz VCVMEKYGUZDZCT-UHFFFAOYSA-N 0 0 174.631 1.301 10 0 ADAERN COc1cnc(C2CCC2)nc1F 575598268 352861679 /nfs/dbraw/zinc/86/16/79/352861679.db2.gz CYVDCSPOMVPDHM-UHFFFAOYSA-N 0 0 182.198 1.892 10 0 ADAERN Cc1cc(N2CC(C)C2)nc(Cl)n1 575598356 352861685 /nfs/dbraw/zinc/86/16/85/352861685.db2.gz OAFORUMXJQIOTE-UHFFFAOYSA-N 0 0 197.669 1.895 10 0 ADAERN C[C@H]1CN(c2cc(Cl)ncn2)[C@@H]1C 575598241 352861694 /nfs/dbraw/zinc/86/16/94/352861694.db2.gz ZMASTAKKOXWNHB-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN CCc1nc(F)c2c(n1)CSC2 575599144 352861698 /nfs/dbraw/zinc/86/16/98/352861698.db2.gz WKTBQMNVJIONLX-UHFFFAOYSA-N 0 0 184.239 1.925 10 0 ADAERN COC(C)(C)c1nc(F)cc(F)n1 575598336 352861700 /nfs/dbraw/zinc/86/17/00/352861700.db2.gz LYIBTXUUNGKCQK-UHFFFAOYSA-N 0 0 188.177 1.636 10 0 ADAERN Fc1ncc(Cl)c(N2CCC2)n1 575598405 352861704 /nfs/dbraw/zinc/86/17/04/352861704.db2.gz VWYAQWHIFSENAD-UHFFFAOYSA-N 0 0 187.605 1.479 10 0 ADAERN CC1(C)OCc2ncnc(F)c21 575599003 352861707 /nfs/dbraw/zinc/86/17/07/352861707.db2.gz LGKZAOSUDKENAB-UHFFFAOYSA-N 0 0 168.171 1.381 10 0 ADAERN Clc1nnc([C@H]2CC23CC3)o1 575598212 352861711 /nfs/dbraw/zinc/86/17/11/352861711.db2.gz XEHBHKKXZSQNAD-SCSAIBSYSA-N 0 0 170.599 1.991 10 0 ADAERN Cc1nnc(Cl)n1C1CSC1 575598217 352861718 /nfs/dbraw/zinc/86/17/18/352861718.db2.gz XMCZPKDILBBKKC-UHFFFAOYSA-N 0 0 189.671 1.528 10 0 ADAERN Clc1nnc([C@@H]2CC23CC3)o1 575598211 352861723 /nfs/dbraw/zinc/86/17/23/352861723.db2.gz XEHBHKKXZSQNAD-BYPYZUCNSA-N 0 0 170.599 1.991 10 0 ADAERN CCC1CN(c2cncc(F)n2)C1 575598107 352861725 /nfs/dbraw/zinc/86/17/25/352861725.db2.gz KHIZTQLAYBBPJY-UHFFFAOYSA-N 0 0 181.214 1.462 10 0 ADAERN COCc1nc(C)c(F)c(F)n1 575598398 352861734 /nfs/dbraw/zinc/86/17/34/352861734.db2.gz VBUYQRRTXCWVSG-UHFFFAOYSA-N 0 0 174.150 1.210 10 0 ADAERN Cc1c(F)ncnc1OC(C)C 575598313 352861738 /nfs/dbraw/zinc/86/17/38/352861738.db2.gz IYKMFIGMJUCFMK-UHFFFAOYSA-N 0 0 170.187 1.711 10 0 ADAERN Cc1nc(F)cc(C2CC2)n1 575598263 352861740 /nfs/dbraw/zinc/86/17/40/352861740.db2.gz BSHXSDCBEYAISM-UHFFFAOYSA-N 0 0 152.172 1.802 10 0 ADAERN Cc1c(F)ncnc1N1CCC1 575599185 352861870 /nfs/dbraw/zinc/86/18/70/352861870.db2.gz APOQGZVSRFININ-UHFFFAOYSA-N 0 0 167.187 1.134 10 0 ADAERN C[C@@H]1CN(c2nccnc2Cl)[C@@H]1C 575599413 352861874 /nfs/dbraw/zinc/86/18/74/352861874.db2.gz KLHOZZRBJJMNFE-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@H]1CCN(c2ccnc(F)n2)C1 575599437 352861895 /nfs/dbraw/zinc/86/18/95/352861895.db2.gz QVZIHEJVFITVPB-ZETCQYMHSA-N 0 0 181.214 1.462 10 0 ADAERN COC1(c2nccc(F)n2)CCC1 575599450 352861909 /nfs/dbraw/zinc/86/19/09/352861909.db2.gz RYZZLSRYSDKOBK-UHFFFAOYSA-N 0 0 182.198 1.641 10 0 ADAERN C[C@@H]1CCN1c1nccnc1F 575599323 352861916 /nfs/dbraw/zinc/86/19/16/352861916.db2.gz KFILWBGXUFOYEL-ZCFIWIBFSA-N 0 0 167.187 1.214 10 0 ADAERN C[C@H]1CN(c2nccnc2Cl)[C@@H]1C 575599404 352861921 /nfs/dbraw/zinc/86/19/21/352861921.db2.gz KLHOZZRBJJMNFE-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN Fc1ccnc(-c2csnn2)n1 575599182 352861925 /nfs/dbraw/zinc/86/19/25/352861925.db2.gz AMPKQZVOJIGHFV-UHFFFAOYSA-N 0 0 182.183 1.134 10 0 ADAERN C[C@H]1C[C@]1(C)Cn1cnnc1Cl 575599485 352861931 /nfs/dbraw/zinc/86/19/31/352861931.db2.gz LCVDBFAQKSGKJS-POYBYMJQSA-N 0 0 185.658 1.978 10 0 ADAERN C[C@H]1C[C@@]1(C)Cn1cnnc1Cl 575599487 352861944 /nfs/dbraw/zinc/86/19/44/352861944.db2.gz LCVDBFAQKSGKJS-XPUUQOCRSA-N 0 0 185.658 1.978 10 0 ADAERN CC(C)Oc1cc(F)nc(F)n1 575599435 352861953 /nfs/dbraw/zinc/86/19/53/352861953.db2.gz QQTUXNKNVVDIKW-UHFFFAOYSA-N 0 0 174.150 1.542 10 0 ADAERN Cc1nc(F)c2c(n1)CO[C@H]2C 575599452 352861959 /nfs/dbraw/zinc/86/19/59/352861959.db2.gz SJZZJALWKWADGJ-BYPYZUCNSA-N 0 0 168.171 1.515 10 0 ADAERN CO[C@@H](C)c1nc(F)c(C)c(F)n1 575599184 352861967 /nfs/dbraw/zinc/86/19/67/352861967.db2.gz AWTPYKHTKVHAHA-YFKPBYRVSA-N 0 0 188.177 1.771 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ccnc(F)n1 575599348 352861984 /nfs/dbraw/zinc/86/19/84/352861984.db2.gz KYKXWZFGCKABIT-RQJHMYQMSA-N 0 0 181.214 1.460 10 0 ADAERN C[C@H]1CN(c2cncc(Cl)n2)[C@H]1C 575599285 352861988 /nfs/dbraw/zinc/86/19/88/352861988.db2.gz FUHWTHIEIQTGMM-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@@H]1C[C@]1(C)Cn1cnnc1Cl 575599484 352861992 /nfs/dbraw/zinc/86/19/92/352861992.db2.gz LCVDBFAQKSGKJS-HTRCEHHLSA-N 0 0 185.658 1.978 10 0 ADAERN C[C@@H]1CN(c2ccnc(F)n2)[C@@H]1C 575599344 352862003 /nfs/dbraw/zinc/86/20/03/352862003.db2.gz KYKXWZFGCKABIT-RNFRBKRXSA-N 0 0 181.214 1.460 10 0 ADAERN C[C@H]1CN(c2ccnc(F)n2)[C@@H]1C 575599341 352862009 /nfs/dbraw/zinc/86/20/09/352862009.db2.gz KYKXWZFGCKABIT-NKWVEPMBSA-N 0 0 181.214 1.460 10 0 ADAERN Clc1nnc([C@@]23COC[C@@H]2C3)o1 575599557 352862015 /nfs/dbraw/zinc/86/20/15/352862015.db2.gz UDEXGBPNOBFQQQ-FFWSUHOLSA-N 0 0 186.598 1.011 10 0 ADAERN CSCc1nc(C)cc(F)n1 575599439 352862027 /nfs/dbraw/zinc/86/20/27/352862027.db2.gz RAYUEXDYJSBHSA-UHFFFAOYSA-N 0 0 172.228 1.787 10 0 ADAERN COc1cnc(C(C)C)nc1F 575599448 352862034 /nfs/dbraw/zinc/86/20/34/352862034.db2.gz RNZNFESBWZTHMZ-UHFFFAOYSA-N 0 0 170.187 1.748 10 0 ADAERN C[C@@H]1C[C@@]1(C)Cn1cnnc1Cl 575599486 352862050 /nfs/dbraw/zinc/86/20/50/352862050.db2.gz LCVDBFAQKSGKJS-SVRRBLITSA-N 0 0 185.658 1.978 10 0 ADAERN Clc1nnc([C@]23COC[C@H]2C3)o1 575599551 352862055 /nfs/dbraw/zinc/86/20/55/352862055.db2.gz UDEXGBPNOBFQQQ-CLZZGJSISA-N 0 0 186.598 1.011 10 0 ADAERN C[C@H]1CN(c2ccnc(F)n2)[C@H]1C 575599338 352862083 /nfs/dbraw/zinc/86/20/83/352862083.db2.gz KYKXWZFGCKABIT-BQBZGAKWSA-N 0 0 181.214 1.460 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ccc(Cl)nn1 575599326 352862093 /nfs/dbraw/zinc/86/20/93/352862093.db2.gz GEBVHLGXRXDZFS-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@@H]1CN(c2ccc(Cl)nn2)[C@@H]1C 575599324 352862108 /nfs/dbraw/zinc/86/21/08/352862108.db2.gz GEBVHLGXRXDZFS-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cncc(Cl)n1 575599292 352862120 /nfs/dbraw/zinc/86/21/20/352862120.db2.gz FUHWTHIEIQTGMM-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN COCc1nc(C)c(C)c(F)n1 575599329 352862128 /nfs/dbraw/zinc/86/21/28/352862128.db2.gz KRUMGMDMCTZPFP-UHFFFAOYSA-N 0 0 170.187 1.379 10 0 ADAERN Cc1nc(F)c2c(n1)CO[C@@H]2C 575599454 352862137 /nfs/dbraw/zinc/86/21/37/352862137.db2.gz SJZZJALWKWADGJ-SCSAIBSYSA-N 0 0 168.171 1.515 10 0 ADAERN CCSc1cc(F)nc(F)n1 575599279 352862141 /nfs/dbraw/zinc/86/21/41/352862141.db2.gz IBLKQXQUURACDP-UHFFFAOYSA-N 0 0 176.191 1.867 10 0 ADAERN C[C@@H]1CCN(c2ccnc(F)n2)C1 575599436 352862146 /nfs/dbraw/zinc/86/21/46/352862146.db2.gz QVZIHEJVFITVPB-SSDOTTSWSA-N 0 0 181.214 1.462 10 0 ADAERN C[C@H]1CN(c2ccc(Cl)nn2)[C@@H]1C 575599322 352862151 /nfs/dbraw/zinc/86/21/51/352862151.db2.gz GEBVHLGXRXDZFS-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@H]1CCN1c1nccnc1F 575599321 352862157 /nfs/dbraw/zinc/86/21/57/352862157.db2.gz KFILWBGXUFOYEL-LURJTMIESA-N 0 0 167.187 1.214 10 0 ADAERN C[C@H]1[C@H](C)CN1c1nccnc1Cl 575599417 352862167 /nfs/dbraw/zinc/86/21/67/352862167.db2.gz KLHOZZRBJJMNFE-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1nc(CN(C)C)nc(F)c1F 575599383 352862186 /nfs/dbraw/zinc/86/21/86/352862186.db2.gz JOBHBERMGODSGT-UHFFFAOYSA-N 0 0 187.193 1.125 10 0 ADAERN Clc1nncn1C[C@H]1CC12CC2 575599496 352862193 /nfs/dbraw/zinc/86/21/93/352862193.db2.gz LQJQLYYLPYWASY-ZCFIWIBFSA-N 0 0 183.642 1.732 10 0 ADAERN Clc1nncn1C[C@@H]1CC12CC2 575599495 352862217 /nfs/dbraw/zinc/86/22/17/352862217.db2.gz LQJQLYYLPYWASY-LURJTMIESA-N 0 0 183.642 1.732 10 0 ADAERN C[C@H]1CN(c2ccc(Cl)nn2)[C@H]1C 575599319 352862226 /nfs/dbraw/zinc/86/22/26/352862226.db2.gz GEBVHLGXRXDZFS-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN CO[C@H](C)c1nc(F)c(C)c(F)n1 575599181 352862244 /nfs/dbraw/zinc/86/22/44/352862244.db2.gz AWTPYKHTKVHAHA-RXMQYKEDSA-N 0 0 188.177 1.771 10 0 ADAERN CO[C@H](C)c1nc(F)c(F)c(F)n1 575599596 352862252 /nfs/dbraw/zinc/86/22/52/352862252.db2.gz WBUJZGHLMGSTML-GSVOUGTGSA-N 0 0 192.140 1.601 10 0 ADAERN C[C@@H]1CCN1c1ccc(Cl)nn1 575599584 352862264 /nfs/dbraw/zinc/86/22/64/352862264.db2.gz NHDCJBNUYXGSQS-ZCFIWIBFSA-N 0 0 183.642 1.729 10 0 ADAERN COc1c(C)nc(C)nc1F 575599325 352862270 /nfs/dbraw/zinc/86/22/70/352862270.db2.gz KJRPHDXHPMNSGV-UHFFFAOYSA-N 0 0 156.160 1.241 10 0 ADAERN C[C@H]1CCN1c1ccc(Cl)nn1 575599583 352862273 /nfs/dbraw/zinc/86/22/73/352862273.db2.gz NHDCJBNUYXGSQS-LURJTMIESA-N 0 0 183.642 1.729 10 0 ADAERN CC(C)c1c(F)ncnc1F 575599497 352862292 /nfs/dbraw/zinc/86/22/92/352862292.db2.gz LRIGUIAIPMYUIJ-UHFFFAOYSA-N 0 0 158.151 1.878 10 0 ADAERN C[C@H]1CN(c2cncc(Cl)n2)[C@@H]1C 575599288 352862295 /nfs/dbraw/zinc/86/22/95/352862295.db2.gz FUHWTHIEIQTGMM-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@H]1CN(c2nccnc2Cl)[C@H]1C 575599403 352862300 /nfs/dbraw/zinc/86/23/00/352862300.db2.gz KLHOZZRBJJMNFE-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN CCc1nc(F)c2c(n1)CCOC2 575599283 352862306 /nfs/dbraw/zinc/86/23/06/352862306.db2.gz INZQJKFRLBTWMY-UHFFFAOYSA-N 0 0 182.198 1.251 10 0 ADAERN C[C@@H]1CN(c2cncc(Cl)n2)[C@@H]1C 575599291 352862328 /nfs/dbraw/zinc/86/23/28/352862328.db2.gz FUHWTHIEIQTGMM-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN CCN(C)c1cc(C)nc(F)n1 575599573 352862336 /nfs/dbraw/zinc/86/23/36/352862336.db2.gz MLOHKADQPOZZIT-UHFFFAOYSA-N 0 0 169.203 1.380 10 0 ADAERN CC(C)c1cc2c(F)nccn2n1 575599585 352862344 /nfs/dbraw/zinc/86/23/44/352862344.db2.gz NNNLJQPYLQVPKT-UHFFFAOYSA-N 0 0 179.198 1.992 10 0 ADAERN Fc1cncc(N2CCCC2)n1 575599366 352862349 /nfs/dbraw/zinc/86/23/49/352862349.db2.gz LKAZDKDFBUCLIA-UHFFFAOYSA-N 0 0 167.187 1.216 10 0 ADAERN C[C@@H]1CCN1c1cccc(F)n1 575599813 352862866 /nfs/dbraw/zinc/86/28/66/352862866.db2.gz UBSWJDWCHNKSIP-SSDOTTSWSA-N 0 0 166.199 1.819 10 0 ADAERN C[C@H]1[C@H](C)CN1c1nccnc1F 575600362 352863363 /nfs/dbraw/zinc/86/33/63/352863363.db2.gz RRPISCIWWNSZRT-RQJHMYQMSA-N 0 0 181.214 1.460 10 0 ADAERN Cc1cc(OC2CCC2)nc(F)n1 575599610 352862706 /nfs/dbraw/zinc/86/27/06/352862706.db2.gz WIPUXUTZBLCROS-UHFFFAOYSA-N 0 0 182.198 1.855 10 0 ADAERN C[C@H]1CCN1c1cncc(F)n1 575599688 352862713 /nfs/dbraw/zinc/86/27/13/352862713.db2.gz ZSZACTJRDMSDRN-LURJTMIESA-N 0 0 167.187 1.214 10 0 ADAERN C[C@H]1CCN1c1nccnc1Cl 575600070 352862717 /nfs/dbraw/zinc/86/27/17/352862717.db2.gz LBTVMCOQXQVLRN-LURJTMIESA-N 0 0 183.642 1.729 10 0 ADAERN CCSc1nc(C)nc(Cl)n1 575599716 352862721 /nfs/dbraw/zinc/86/27/21/352862721.db2.gz MULYLDGSCYSDEQ-UHFFFAOYSA-N 0 0 189.671 1.945 10 0 ADAERN C[C@@H]1CCN1c1cncc(F)n1 575599689 352862728 /nfs/dbraw/zinc/86/27/28/352862728.db2.gz ZSZACTJRDMSDRN-ZCFIWIBFSA-N 0 0 167.187 1.214 10 0 ADAERN CSc1cncc(F)n1 575599876 352862732 /nfs/dbraw/zinc/86/27/32/352862732.db2.gz ZPTJGKVUUGPJSM-UHFFFAOYSA-N 0 0 144.174 1.338 10 0 ADAERN C[C@H]1CCN1c1cccc(F)n1 575599814 352862742 /nfs/dbraw/zinc/86/27/42/352862742.db2.gz UBSWJDWCHNKSIP-ZETCQYMHSA-N 0 0 166.199 1.819 10 0 ADAERN CC[C@@H](O)c1cnc(Cl)n1C 575599844 352862745 /nfs/dbraw/zinc/86/27/45/352862745.db2.gz WMMQMBSWHGWBCC-ZCFIWIBFSA-N 0 0 174.631 1.517 10 0 ADAERN C[C@H]1CCCN1c1cncc(F)n1 575599892 352862769 /nfs/dbraw/zinc/86/27/69/352862769.db2.gz XOPAFDOODRQINJ-ZETCQYMHSA-N 0 0 181.214 1.604 10 0 ADAERN Fc1ncnc2ccsc12 575599775 352862777 /nfs/dbraw/zinc/86/27/77/352862777.db2.gz WAKFTLWLECSZFZ-UHFFFAOYSA-N 0 0 154.169 1.830 10 0 ADAERN CCN(C)c1ncnc(F)c1C 575599615 352862783 /nfs/dbraw/zinc/86/27/83/352862783.db2.gz PFHNXDVMMOCRFD-UHFFFAOYSA-N 0 0 169.203 1.380 10 0 ADAERN C[C@@H]1CCN1c1nsnc1Cl 575599994 352862789 /nfs/dbraw/zinc/86/27/89/352862789.db2.gz CPNOWYICIBZOIB-SCSAIBSYSA-N 0 0 189.671 1.790 10 0 ADAERN N#CNc1cc(Br)ccn1 575599614 352862796 /nfs/dbraw/zinc/86/27/96/352862796.db2.gz OZSRHOVRIBMCFA-UHFFFAOYSA-N 0 0 198.023 1.737 10 0 ADAERN Fc1cncc(N2CCSCC2)n1 575599623 352862894 /nfs/dbraw/zinc/86/28/94/352862894.db2.gz QAGOQKFZDRRTFE-UHFFFAOYSA-N 0 0 199.254 1.169 10 0 ADAERN C[C@H]1CCN1c1nsnc1Cl 575599993 352862801 /nfs/dbraw/zinc/86/28/01/352862801.db2.gz CPNOWYICIBZOIB-BYPYZUCNSA-N 0 0 189.671 1.790 10 0 ADAERN CC[C@H](O)c1cnc(Cl)n1C 575599843 352862805 /nfs/dbraw/zinc/86/28/05/352862805.db2.gz WMMQMBSWHGWBCC-LURJTMIESA-N 0 0 174.631 1.517 10 0 ADAERN Cn1cnc(-c2ccnc(Cl)n2)c1 575599989 352862816 /nfs/dbraw/zinc/86/28/16/352862816.db2.gz CLZADBVFKSNTMF-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN CC(C)[C@H](O)c1cnc(Cl)n1C 575599883 352862821 /nfs/dbraw/zinc/86/28/21/352862821.db2.gz XEXSDONCLCXXJP-ZETCQYMHSA-N 0 0 188.658 1.763 10 0 ADAERN Cc1ccc(C(=O)NC#N)c(Cl)n1 575599954 352862824 /nfs/dbraw/zinc/86/28/24/352862824.db2.gz ALGRBWDUQKTMQD-UHFFFAOYSA-N 0 0 195.609 1.254 10 0 ADAERN CO[C@H]1C[C@@H]1c1nc(Cl)ns1 575600056 352862839 /nfs/dbraw/zinc/86/28/39/352862839.db2.gz FDSIKDPZCUIHBB-IMJSIDKUSA-N 0 0 190.655 1.694 10 0 ADAERN CC1(C)CCN1c1cc(F)ncn1 575599625 352862842 /nfs/dbraw/zinc/86/28/42/352862842.db2.gz QZBIXSQUBPEIDR-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN CN(c1ccnc(F)n1)C1CC1 575599638 352862847 /nfs/dbraw/zinc/86/28/47/352862847.db2.gz XKBDVPBNKBUZQR-UHFFFAOYSA-N 0 0 167.187 1.214 10 0 ADAERN CC(C)[C@@H](O)c1cnc(Cl)n1C 575599880 352862849 /nfs/dbraw/zinc/86/28/49/352862849.db2.gz XEXSDONCLCXXJP-SSDOTTSWSA-N 0 0 188.658 1.763 10 0 ADAERN Cc1cc(N2CCC2)nc(F)n1 575600041 352862852 /nfs/dbraw/zinc/86/28/52/352862852.db2.gz IOMPSFJJUJAUBB-UHFFFAOYSA-N 0 0 167.187 1.134 10 0 ADAERN CO[C@@H](C)c1nc(F)c(F)c(F)n1 575599598 352862861 /nfs/dbraw/zinc/86/28/61/352862861.db2.gz WBUJZGHLMGSTML-VKHMYHEASA-N 0 0 192.140 1.601 10 0 ADAERN Cc1cnc(F)nc1N1CC[C@H]1C 575599940 352862863 /nfs/dbraw/zinc/86/28/63/352862863.db2.gz ZZYRCVBZNOGPFC-SSDOTTSWSA-N 0 0 181.214 1.523 10 0 ADAERN Cc1nccn1-c1cncc(F)n1 575599890 352862868 /nfs/dbraw/zinc/86/28/68/352862868.db2.gz XKKXNECQAYHLCG-UHFFFAOYSA-N 0 0 178.170 1.110 10 0 ADAERN Cc1cc(N2CC(C)C2)nc(F)n1 575600013 352862883 /nfs/dbraw/zinc/86/28/83/352862883.db2.gz FHAMLCLCQJIJHQ-UHFFFAOYSA-N 0 0 181.214 1.380 10 0 ADAERN Cc1cnc(F)nc1N1CC[C@@H]1C 575599942 352862888 /nfs/dbraw/zinc/86/28/88/352862888.db2.gz ZZYRCVBZNOGPFC-ZETCQYMHSA-N 0 0 181.214 1.523 10 0 ADAERN C[C@@H]1CCCN1c1cncc(F)n1 575599891 352862891 /nfs/dbraw/zinc/86/28/91/352862891.db2.gz XOPAFDOODRQINJ-SSDOTTSWSA-N 0 0 181.214 1.604 10 0 ADAERN CC1CC(Cn2cnnc2Cl)C1 575599750 352862900 /nfs/dbraw/zinc/86/29/00/352862900.db2.gz OFBCZJZMZAGYBX-UHFFFAOYSA-N 0 0 185.658 1.978 10 0 ADAERN Cc1cc(F)nc(C2(C)CC2)n1 575600010 352862902 /nfs/dbraw/zinc/86/29/02/352862902.db2.gz BVGRVBUQRWXARS-UHFFFAOYSA-N 0 0 166.199 1.976 10 0 ADAERN CO[C@@H]1C[C@@H]1c1nc(Cl)ns1 575600057 352862909 /nfs/dbraw/zinc/86/29/09/352862909.db2.gz FDSIKDPZCUIHBB-IUYQGCFVSA-N 0 0 190.655 1.694 10 0 ADAERN CCOc1nc(F)nc(Cl)n1 575599761 352862913 /nfs/dbraw/zinc/86/29/13/352862913.db2.gz PCZNAZZKZYFJHG-UHFFFAOYSA-N 0 0 177.566 1.063 10 0 ADAERN CCn1ccnc1F 575600059 352862916 /nfs/dbraw/zinc/86/29/16/352862916.db2.gz FLNNGYHLSHUJNF-UHFFFAOYSA-N 0 0 114.123 1.042 10 0 ADAERN CC1(C)CCN1c1nccnc1F 575600068 352862921 /nfs/dbraw/zinc/86/29/21/352862921.db2.gz KYMKLWJCSNENFC-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN CCN(C)c1cc(F)nc(F)n1 575599926 352862924 /nfs/dbraw/zinc/86/29/24/352862924.db2.gz ZMZQTCRGGPWWAV-UHFFFAOYSA-N 0 0 173.166 1.211 10 0 ADAERN C[C@@H]1CCCN1c1ccnc(F)n1 575599604 352862931 /nfs/dbraw/zinc/86/29/31/352862931.db2.gz OLPQSFZWUKBGTE-SSDOTTSWSA-N 0 0 181.214 1.604 10 0 ADAERN CC(C)(C)c1nccnc1F 575599818 352862949 /nfs/dbraw/zinc/86/29/49/352862949.db2.gz UYQXSDOOEJBFAD-UHFFFAOYSA-N 0 0 154.188 1.913 10 0 ADAERN CCc1c(F)ncnc1F 575599787 352862961 /nfs/dbraw/zinc/86/29/61/352862961.db2.gz QMEXWHHFNVQVCQ-UHFFFAOYSA-N 0 0 144.124 1.317 10 0 ADAERN C[C@H]1CCCN1c1ccnc(F)n1 575599607 352862964 /nfs/dbraw/zinc/86/29/64/352862964.db2.gz OLPQSFZWUKBGTE-ZETCQYMHSA-N 0 0 181.214 1.604 10 0 ADAERN Cc1c(F)ncnc1N1CC(C)C1 575599680 352862972 /nfs/dbraw/zinc/86/29/72/352862972.db2.gz SIWJQYTUHHAZPT-UHFFFAOYSA-N 0 0 181.214 1.380 10 0 ADAERN CO[C@H]1C[C@H]1c1nc(Cl)ns1 575600055 352862978 /nfs/dbraw/zinc/86/29/78/352862978.db2.gz FDSIKDPZCUIHBB-DMTCNVIQSA-N 0 0 190.655 1.694 10 0 ADAERN C[C@H]1CCN(c2cncc(F)n2)C1 575600476 352863331 /nfs/dbraw/zinc/86/33/31/352863331.db2.gz YCYATWZRTBILGY-ZETCQYMHSA-N 0 0 181.214 1.462 10 0 ADAERN C[C@H]1CN(c2nccnc2F)[C@H]1C 575600359 352863342 /nfs/dbraw/zinc/86/33/42/352863342.db2.gz RRPISCIWWNSZRT-BQBZGAKWSA-N 0 0 181.214 1.460 10 0 ADAERN C[C@@H]1C[C@]1(C)n1cnnc1Cl 575600133 352863345 /nfs/dbraw/zinc/86/33/45/352863345.db2.gz NADSWAGHOCVUET-VDTYLAMSSA-N 0 0 171.631 1.687 10 0 ADAERN COc1c(C)nc(C2CC2)nc1F 575600350 352863348 /nfs/dbraw/zinc/86/33/48/352863348.db2.gz QYJSCFWTOMQKIT-UHFFFAOYSA-N 0 0 182.198 1.810 10 0 ADAERN CCc1nc(F)c2c(n1)CO[C@@H]2C 575600232 352863350 /nfs/dbraw/zinc/86/33/50/352863350.db2.gz NXHRURVFHGTACM-RXMQYKEDSA-N 0 0 182.198 1.769 10 0 ADAERN C[C@@H]1CCN(c2cncc(F)n2)C1 575600469 352863354 /nfs/dbraw/zinc/86/33/54/352863354.db2.gz YCYATWZRTBILGY-SSDOTTSWSA-N 0 0 181.214 1.462 10 0 ADAERN C[C@@H]1CN(c2nccnc2F)[C@@H]1C 575600361 352863357 /nfs/dbraw/zinc/86/33/57/352863357.db2.gz RRPISCIWWNSZRT-RNFRBKRXSA-N 0 0 181.214 1.460 10 0 ADAERN COc1cnc(C(C)(C)C)nc1F 575600077 352863366 /nfs/dbraw/zinc/86/33/66/352863366.db2.gz GDXJZMRYFMLZNP-UHFFFAOYSA-N 0 0 184.214 1.922 10 0 ADAERN CCc1nc(F)c2c(n1)CO[C@H]2C 575600233 352863369 /nfs/dbraw/zinc/86/33/69/352863369.db2.gz NXHRURVFHGTACM-YFKPBYRVSA-N 0 0 182.198 1.769 10 0 ADAERN C[C@H]1CN(c2nccnc2F)[C@@H]1C 575600360 352863371 /nfs/dbraw/zinc/86/33/71/352863371.db2.gz RRPISCIWWNSZRT-NKWVEPMBSA-N 0 0 181.214 1.460 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cnc(Cl)cn1 575600442 352863374 /nfs/dbraw/zinc/86/33/74/352863374.db2.gz WSHGXKWHNSVQEI-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN CC(C)(C)Oc1cc(F)nc(F)n1 575600449 352863381 /nfs/dbraw/zinc/86/33/81/352863381.db2.gz WPZLPLWBTPYBAT-UHFFFAOYSA-N 0 0 188.177 1.932 10 0 ADAERN CC1(C)CCN1c1cncc(F)n1 575600100 352863391 /nfs/dbraw/zinc/86/33/91/352863391.db2.gz LURSHSILXDXJMX-UHFFFAOYSA-N 0 0 181.214 1.604 10 0 ADAERN Fc1ncc(Cl)c(-n2ccnc2)n1 575600112 352863401 /nfs/dbraw/zinc/86/34/01/352863401.db2.gz NEHRKIFURBBVNC-UHFFFAOYSA-N 0 0 198.588 1.455 10 0 ADAERN Cn1c(C2=C[C@@H](O)CC2)cnc1Cl 575600424 352863409 /nfs/dbraw/zinc/86/34/09/352863409.db2.gz VCIQNLNPOAVDDS-ZETCQYMHSA-N 0 0 198.653 1.612 10 0 ADAERN C[C@@H]1C[C@@]1(C)n1cnnc1Cl 575600132 352863421 /nfs/dbraw/zinc/86/34/21/352863421.db2.gz NADSWAGHOCVUET-IYSWYEEDSA-N 0 0 171.631 1.687 10 0 ADAERN Cn1c(C2=C[C@H](O)CC2)cnc1Cl 575600423 352863424 /nfs/dbraw/zinc/86/34/24/352863424.db2.gz VCIQNLNPOAVDDS-SSDOTTSWSA-N 0 0 198.653 1.612 10 0 ADAERN C[C@H](CF)n1cnnc1Cl 575600142 352863430 /nfs/dbraw/zinc/86/34/30/352863430.db2.gz PJKCZLKAXUTTEH-SCSAIBSYSA-N 0 0 163.583 1.462 10 0 ADAERN Cc1cc(F)nc(C2CSC2)n1 575600176 352863443 /nfs/dbraw/zinc/86/34/43/352863443.db2.gz SWIQWAMLAVIKFT-UHFFFAOYSA-N 0 0 184.239 1.755 10 0 ADAERN C[C@@H](CF)n1cnnc1Cl 575600141 352863459 /nfs/dbraw/zinc/86/34/59/352863459.db2.gz PJKCZLKAXUTTEH-BYPYZUCNSA-N 0 0 163.583 1.462 10 0 ADAERN Cc1cc(OC(C)C)nc(F)n1 575600274 352863470 /nfs/dbraw/zinc/86/34/70/352863470.db2.gz PMCVSLWBOOEFQN-UHFFFAOYSA-N 0 0 170.187 1.711 10 0 ADAERN C[C@H]1CN(c2cnc(Cl)cn2)[C@@H]1C 575600439 352863481 /nfs/dbraw/zinc/86/34/81/352863481.db2.gz WSHGXKWHNSVQEI-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN CC1CN(Cc2ccc(Cl)nn2)C1 575600355 352863483 /nfs/dbraw/zinc/86/34/83/352863483.db2.gz ROTHGRAEDUTAKF-UHFFFAOYSA-N 0 0 197.669 1.582 10 0 ADAERN CCC1CN(c2ccc(Cl)nn2)C1 575600462 352863493 /nfs/dbraw/zinc/86/34/93/352863493.db2.gz XSHDBWQQSRQZQR-UHFFFAOYSA-N 0 0 197.669 1.976 10 0 ADAERN Clc1noc([C@@]23COC[C@@H]2C3)n1 575600326 352863510 /nfs/dbraw/zinc/86/35/10/352863510.db2.gz PNXKZTJXNWWSQW-FFWSUHOLSA-N 0 0 186.598 1.011 10 0 ADAERN CNNc1cccc(Cl)n1 575600082 352863517 /nfs/dbraw/zinc/86/35/17/352863517.db2.gz GJUQLYLEFZJYDK-UHFFFAOYSA-N 0 0 157.604 1.281 10 0 ADAERN C[C@@H]1CN(c2cnc(Cl)cn2)[C@@H]1C 575600441 352863546 /nfs/dbraw/zinc/86/35/46/352863546.db2.gz WSHGXKWHNSVQEI-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN C[C@H]1C[C@]1(C)n1cnnc1Cl 575600131 352863554 /nfs/dbraw/zinc/86/35/54/352863554.db2.gz NADSWAGHOCVUET-FSPLSTOPSA-N 0 0 171.631 1.687 10 0 ADAERN C[C@@H]1CCN1c1nccnc1Cl 575600072 352863560 /nfs/dbraw/zinc/86/35/60/352863560.db2.gz LBTVMCOQXQVLRN-ZCFIWIBFSA-N 0 0 183.642 1.729 10 0 ADAERN Cc1nc(F)c2c(n1)COC2(C)C 575600435 352863564 /nfs/dbraw/zinc/86/35/64/352863564.db2.gz WCZKXKRVCIUKJF-UHFFFAOYSA-N 0 0 182.198 1.689 10 0 ADAERN COC1CC(c2nnc(Cl)o2)C1 575600366 352863569 /nfs/dbraw/zinc/86/35/69/352863569.db2.gz STCOLOLVPTYCMA-UHFFFAOYSA-N 0 0 188.614 1.615 10 0 ADAERN C[C@H]1C[C@@]1(C)n1cnnc1Cl 575600130 352863572 /nfs/dbraw/zinc/86/35/72/352863572.db2.gz NADSWAGHOCVUET-CAHLUQPWSA-N 0 0 171.631 1.687 10 0 ADAERN Cc1nc(Cl)nc(C2CC2)n1 575600264 352863588 /nfs/dbraw/zinc/86/35/88/352863588.db2.gz XLLQYHPQPQSQSU-UHFFFAOYSA-N 0 0 169.615 1.711 10 0 ADAERN Fc1nccc(SC2COC2)n1 575600091 352863592 /nfs/dbraw/zinc/86/35/92/352863592.db2.gz HFMYAXVEZODSAD-UHFFFAOYSA-N 0 0 186.211 1.107 10 0 ADAERN Clc1nncn1C1(C2CC2)CC1 575600241 352863598 /nfs/dbraw/zinc/86/35/98/352863598.db2.gz WEQSPNFSHVMYGU-UHFFFAOYSA-N 0 0 183.642 1.831 10 0 ADAERN C[C@H]1CN(c2cnc(Cl)cn2)[C@H]1C 575600438 352863600 /nfs/dbraw/zinc/86/36/00/352863600.db2.gz WSHGXKWHNSVQEI-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1nc(C)c(F)nc1C 575600261 352863619 /nfs/dbraw/zinc/86/36/19/352863619.db2.gz XHDGCJBZOCMHIP-UHFFFAOYSA-N 0 0 140.161 1.541 10 0 ADAERN C[C@H]1CC[C@@H]1c1cc(N)on1 575600980 352863862 /nfs/dbraw/zinc/86/38/62/352863862.db2.gz BOENETLZPHKUGL-WDSKDSINSA-N 0 0 152.197 1.770 10 0 ADAERN Cc1cc(C(N)=S)c(C)nc1C 575600953 352863869 /nfs/dbraw/zinc/86/38/69/352863869.db2.gz AOYRPOZZTVLQBW-UHFFFAOYSA-N 0 0 180.276 1.641 10 0 ADAERN O=c1cc(CC(F)(F)F)[nH][nH]1 575600974 352863946 /nfs/dbraw/zinc/86/39/46/352863946.db2.gz BGCDQNLMZKUADH-UHFFFAOYSA-N 0 0 166.102 1.220 10 0 ADAERN O=c1cc(CC2CCC2)[nH][nH]1 575600996 352863963 /nfs/dbraw/zinc/86/39/63/352863963.db2.gz CUFHCCRWZLFMTP-UHFFFAOYSA-N 0 0 152.197 1.458 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cncc(F)n1 575600489 352863994 /nfs/dbraw/zinc/86/39/94/352863994.db2.gz YXDOCFRTDFOGCF-RQJHMYQMSA-N 0 0 181.214 1.460 10 0 ADAERN CCc1ccc(C=O)c(C)n1 575601199 352863999 /nfs/dbraw/zinc/86/39/99/352863999.db2.gz ODXYZCDEHBCRMD-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN C[C@H]1CC[C@@H]1c1cc(=O)o[nH]1 575601161 352864050 /nfs/dbraw/zinc/86/40/50/352864050.db2.gz KMAPANMXTUKTQO-WDSKDSINSA-N 0 0 153.181 1.894 10 0 ADAERN COCCCCc1cc(=O)[nH][nH]1 575600991 352864064 /nfs/dbraw/zinc/86/40/64/352864064.db2.gz COPWICGABIIKOF-UHFFFAOYSA-N 0 0 170.212 1.084 10 0 ADAERN C[C@@H]1CC[C@H]1c1cc(CO)[nH]n1 575600958 352864072 /nfs/dbraw/zinc/86/40/72/352864072.db2.gz AWJZONSDKWCJBJ-HTRCEHHLSA-N 0 0 166.224 1.416 10 0 ADAERN Cc1nc(N(C)C)nc(F)c1C 575600505 352864088 /nfs/dbraw/zinc/86/40/88/352864088.db2.gz ZLNXHIZMANGBSK-UHFFFAOYSA-N 0 0 169.203 1.299 10 0 ADAERN FC(F)(F)c1cc2n(n1)CCCO2 575601125 352864139 /nfs/dbraw/zinc/86/41/39/352864139.db2.gz JPCRUVJXCRQBLC-UHFFFAOYSA-N 0 0 192.140 1.684 10 0 ADAERN Cc1cc(CO)c(C)nc1C 575601009 352864142 /nfs/dbraw/zinc/86/41/42/352864142.db2.gz FFGZEVFCXRNWJO-UHFFFAOYSA-N 0 0 151.209 1.499 10 0 ADAERN O=c1cc(CC2CCOCC2)[nH][nH]1 575601037 352864151 /nfs/dbraw/zinc/86/41/51/352864151.db2.gz GXXZPGWYGJQHCL-UHFFFAOYSA-N 0 0 182.223 1.084 10 0 ADAERN C[C@H]1CC[C@@H]1c1n[nH]cc1N 575601177 352864187 /nfs/dbraw/zinc/86/41/87/352864187.db2.gz MNAMUYVNPKYHSQ-WDSKDSINSA-N 0 0 151.213 1.505 10 0 ADAERN O=c1cc(CC2CCCC2)[nH][nH]1 575601234 352864189 /nfs/dbraw/zinc/86/41/89/352864189.db2.gz RERZVKJXDYBEJE-UHFFFAOYSA-N 0 0 166.224 1.848 10 0 ADAERN C[C@H]1CC[C@H]1c1cc(N)on1 575600977 352864195 /nfs/dbraw/zinc/86/41/95/352864195.db2.gz BOENETLZPHKUGL-NTSWFWBYSA-N 0 0 152.197 1.770 10 0 ADAERN C[C@H]1CC[C@H]1c1cc(=O)o[nH]1 575601147 352864203 /nfs/dbraw/zinc/86/42/03/352864203.db2.gz KMAPANMXTUKTQO-NTSWFWBYSA-N 0 0 153.181 1.894 10 0 ADAERN C[C@@H]1CC[C@H]1c1n[nH]cc1N 575601175 352864207 /nfs/dbraw/zinc/86/42/07/352864207.db2.gz MNAMUYVNPKYHSQ-PHDIDXHHSA-N 0 0 151.213 1.505 10 0 ADAERN C[C@@H]1CC[C@@H]1c1cc(=O)o[nH]1 575601158 352864226 /nfs/dbraw/zinc/86/42/26/352864226.db2.gz KMAPANMXTUKTQO-RITPCOANSA-N 0 0 153.181 1.894 10 0 ADAERN C[C@@H]1CC[C@@H]1c1cc(CO)[nH]n1 575600960 352864231 /nfs/dbraw/zinc/86/42/31/352864231.db2.gz AWJZONSDKWCJBJ-SVRRBLITSA-N 0 0 166.224 1.416 10 0 ADAERN C[C@@H]1CC[C@@H]1c1cc(N)on1 575600979 352864238 /nfs/dbraw/zinc/86/42/38/352864238.db2.gz BOENETLZPHKUGL-RITPCOANSA-N 0 0 152.197 1.770 10 0 ADAERN CC(C)Cc1cc2n(n1)CCCO2 575601221 352864267 /nfs/dbraw/zinc/86/42/67/352864267.db2.gz QEQVDFKZTHPUBJ-UHFFFAOYSA-N 0 0 180.251 1.864 10 0 ADAERN C[C@H]1CC[C@@H]1c1cc(CO)[nH]n1 575600961 352864285 /nfs/dbraw/zinc/86/42/85/352864285.db2.gz AWJZONSDKWCJBJ-XPUUQOCRSA-N 0 0 166.224 1.416 10 0 ADAERN C[C@@H]1CN(c2cncc(F)n2)[C@@H]1C 575600488 352864291 /nfs/dbraw/zinc/86/42/91/352864291.db2.gz YXDOCFRTDFOGCF-RNFRBKRXSA-N 0 0 181.214 1.460 10 0 ADAERN C[C@@H]1CC[C@@H]1c1n[nH]cc1N 575601176 352864300 /nfs/dbraw/zinc/86/43/00/352864300.db2.gz MNAMUYVNPKYHSQ-RITPCOANSA-N 0 0 151.213 1.505 10 0 ADAERN C[C@H]1CC[C@H]1c1cc(CO)[nH]n1 575600959 352864303 /nfs/dbraw/zinc/86/43/03/352864303.db2.gz AWJZONSDKWCJBJ-POYBYMJQSA-N 0 0 166.224 1.416 10 0 ADAERN C[C@@H]1CC[C@H]1c1cc(=O)o[nH]1 575601151 352864310 /nfs/dbraw/zinc/86/43/10/352864310.db2.gz KMAPANMXTUKTQO-PHDIDXHHSA-N 0 0 153.181 1.894 10 0 ADAERN C[C@H]1CN(c2cncc(F)n2)[C@@H]1C 575600487 352864321 /nfs/dbraw/zinc/86/43/21/352864321.db2.gz YXDOCFRTDFOGCF-NKWVEPMBSA-N 0 0 181.214 1.460 10 0 ADAERN Cc1cc(C=O)c(C)nc1C 575601042 352864328 /nfs/dbraw/zinc/86/43/28/352864328.db2.gz HISLHOCWJNGKMB-UHFFFAOYSA-N 0 0 149.193 1.819 10 0 ADAERN CC1CC(Cc2cc(=O)[nH][nH]2)C1 575601045 352864332 /nfs/dbraw/zinc/86/43/32/352864332.db2.gz HRXULYSEPVERFV-UHFFFAOYSA-N 0 0 166.224 1.704 10 0 ADAERN Cc1ccnc(Cl)c1NC#N 575600513 352864338 /nfs/dbraw/zinc/86/43/38/352864338.db2.gz ZVEHWPVOCWQWQJ-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/86/56/49/352865649.db2.gz OBGUXNRRRDMIAA-VIFPVBQESA-N 0 0 193.246 1.730 10 0 ADAERN FC(F)OCc1ccncc1 575601878 352865666 /nfs/dbraw/zinc/86/56/66/352865666.db2.gz PXVSTTIZWDQSBB-UHFFFAOYSA-N 0 0 159.135 1.821 10 0 ADAERN COC(C)(OC)[C@H]1CCCCO1 575602179 352865684 /nfs/dbraw/zinc/86/56/84/352865684.db2.gz USYXVWCKUHYFTA-MRVPVSSYSA-N 0 0 174.240 1.565 10 0 ADAERN CCC[C@@H]1COc2cc(CO)nn2C1 575602090 352865701 /nfs/dbraw/zinc/86/57/01/352865701.db2.gz KJWFFHVQISNHJQ-QMMMGPOBSA-N 0 0 196.250 1.184 10 0 ADAERN FCCNCc1cc2n(n1)CCCC2 575602003 352865709 /nfs/dbraw/zinc/86/57/09/352865709.db2.gz GSZPAVPOQGQYAJ-UHFFFAOYSA-N 0 0 197.257 1.279 10 0 ADAERN COC(=O)c1ccnn1C(F)(F)F 575602228 352865747 /nfs/dbraw/zinc/86/57/47/352865747.db2.gz VMLSWOXUJKALPJ-UHFFFAOYSA-N 0 0 194.112 1.146 10 0 ADAERN FC(F)OCc1cccnc1 575601881 352865749 /nfs/dbraw/zinc/86/57/49/352865749.db2.gz QFGFAFMKSOMEDP-UHFFFAOYSA-N 0 0 159.135 1.821 10 0 ADAERN CC[C@H]1COc2cc(C)nn2C1 575602673 352866040 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XBILWWQETNPJSO-ZCFIWIBFSA-N 0 0 186.173 1.320 10 0 ADAERN Nc1ccc(OCC2CC(F)C2)nc1 575602899 352866916 /nfs/dbraw/zinc/86/69/16/352866916.db2.gz VWOFDXNATWDHRH-UHFFFAOYSA-N 0 0 196.225 1.791 10 0 ADAERN OCCC[C@@H](CCO)C(F)(F)F 575602793 352867146 /nfs/dbraw/zinc/86/71/46/352867146.db2.gz XBILWWQETNPJSO-LURJTMIESA-N 0 0 186.173 1.320 10 0 ADAERN O=c1cc(CC(F)(F)F)nc[nH]1 575622330 352867644 /nfs/dbraw/zinc/86/76/44/352867644.db2.gz IRVXJKPSKLSMSU-UHFFFAOYSA-N 0 0 178.113 1.287 10 0 ADAERN O=c1cc(CCC(F)(F)F)nc[nH]1 575622676 352867756 /nfs/dbraw/zinc/86/77/56/352867756.db2.gz PPYAVFRSJDRUBA-UHFFFAOYSA-N 0 0 192.140 1.677 10 0 ADAERN Fc1cccc2c1NNC2 575627841 352868322 /nfs/dbraw/zinc/86/83/22/352868322.db2.gz MQPYKDNJZPFBTN-UHFFFAOYSA-N 0 0 138.145 1.256 10 0 ADAERN CC1(C(=O)C2CC2)COC1 575631010 352869058 /nfs/dbraw/zinc/86/90/58/352869058.db2.gz FYEHDZVKQYEHEB-UHFFFAOYSA-N 0 0 140.182 1.002 10 0 ADAERN COC(=O)Cc1ccc(F)c(N)c1C 575639846 352869359 /nfs/dbraw/zinc/86/93/59/352869359.db2.gz IFGWHKNGROPMNO-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1c(N)ccc(F)c1C 575639664 352869365 /nfs/dbraw/zinc/86/93/65/352869365.db2.gz DLWZPMLZWGNMAZ-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(F)c(C)cc1N 575639900 352869406 /nfs/dbraw/zinc/86/94/06/352869406.db2.gz JGMUGWLMBSIUFD-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(C)cc(F)c1N 575639890 352869426 /nfs/dbraw/zinc/86/94/26/352869426.db2.gz JELCEOMQTCDYMO-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1ccc(N)c(C)c1F 575639817 352869437 /nfs/dbraw/zinc/86/94/37/352869437.db2.gz HUDOYRNINCBQHX-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1cc(O)c(C)cc1N 575639228 352869470 /nfs/dbraw/zinc/86/94/70/352869470.db2.gz GLHYZMRUJTTYBV-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)c1c(C)cc(O)cc1N 575639624 352869489 /nfs/dbraw/zinc/86/94/89/352869489.db2.gz JRVVBVSBFPZJLY-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)Cc1cc(F)c(N)cc1C 575639525 352869519 /nfs/dbraw/zinc/86/95/19/352869519.db2.gz BTKUWHFMVCCEKW-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1c(N)ccc(O)c1C 575638500 352869610 /nfs/dbraw/zinc/86/96/10/352869610.db2.gz CATGDKIMVVONGW-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)Cc1c(F)ccc(C)c1N 575639833 352869615 /nfs/dbraw/zinc/86/96/15/352869615.db2.gz HYCHRFYSHFJZAT-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1c(N)ccc(C)c1F 575639690 352869639 /nfs/dbraw/zinc/86/96/39/352869639.db2.gz FWGQJJKNSPXFQC-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(C)c(N)cc1F 575639773 352869649 /nfs/dbraw/zinc/86/96/49/352869649.db2.gz GYDSNELURQVBSE-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1ccc(C)c(N)c1F 575639778 352869703 /nfs/dbraw/zinc/86/97/03/352869703.db2.gz HLWCHLLJLJMFGA-UHFFFAOYSA-N 0 0 183.182 1.503 10 0 ADAERN COC(=O)c1c(C)ccc(O)c1N 575638706 352869706 /nfs/dbraw/zinc/86/97/06/352869706.db2.gz FWBHDKTVKRPJHJ-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)Cc1ccc(C)c(N)c1F 575639704 352869740 /nfs/dbraw/zinc/86/97/40/352869740.db2.gz FWHVZURFSZUQRW-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1ccc(N)c(O)c1C 575639253 352869764 /nfs/dbraw/zinc/86/97/64/352869764.db2.gz HCDHIQMOWBYSAW-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)c1ccc(N)c(C)c1O 575639639 352869834 /nfs/dbraw/zinc/86/98/34/352869834.db2.gz JTFJESCYDQKPRQ-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN CCOc1cc(F)c(CO)cc1C#N 575642466 352870094 /nfs/dbraw/zinc/87/00/94/352870094.db2.gz CXDIUECXTUKMAW-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(F)cc(C=O)c1C#N 575642342 352870096 /nfs/dbraw/zinc/87/00/96/352870096.db2.gz ADMNKLUYPUIRHL-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COC(=O)Cc1c(F)ccc(N)c1C 575640475 352870110 /nfs/dbraw/zinc/87/01/10/352870110.db2.gz PEBQVRGJBGRXRB-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN CCOc1cc(F)c(C#N)c(CO)c1 575642444 352870112 /nfs/dbraw/zinc/87/01/12/352870112.db2.gz COFHGPBQESMQNA-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN COC(=O)Cc1cc(N)c(C)cc1F 575640398 352870114 /nfs/dbraw/zinc/87/01/14/352870114.db2.gz NYFSRBCWDWEYFI-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN CCOc1cc(C#N)c(CO)cc1F 575642419 352870116 /nfs/dbraw/zinc/87/01/16/352870116.db2.gz CATMTRJZGPPXEQ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN COC(=O)Cc1ccc(N)c(F)c1C 575640605 352870117 /nfs/dbraw/zinc/87/01/17/352870117.db2.gz SRWROCPZDMTEAF-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN N#Cc1cc(C(F)F)cc(CO)c1O 575642394 352870125 /nfs/dbraw/zinc/87/01/25/352870125.db2.gz AVGLUYZVEPYKAZ-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN COC(=O)Cc1ccc(F)c(C)c1N 575640402 352870130 /nfs/dbraw/zinc/87/01/30/352870130.db2.gz OAFVRZOVZQBLTQ-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1cc(C)c(O)cc1N 575641912 352870135 /nfs/dbraw/zinc/87/01/35/352870135.db2.gz XMYDZSPCZFARTL-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)Cc1c(C)ccc(N)c1F 575640727 352870149 /nfs/dbraw/zinc/87/01/49/352870149.db2.gz VZISBMOSBJRJQF-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(C)c(N)c(F)c1 575640921 352870154 /nfs/dbraw/zinc/87/01/54/352870154.db2.gz ZUCKZJAGRNQIHG-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1c(C)cc(F)cc1N 575640903 352870156 /nfs/dbraw/zinc/87/01/56/352870156.db2.gz ZOZTXPOQURKRBI-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN CCOc1cc(C=O)c(C#N)cc1F 575642346 352870167 /nfs/dbraw/zinc/87/01/67/352870167.db2.gz APFCXNYPCBQPEF-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1ccc(C#N)c(CO)c1F 575642448 352870168 /nfs/dbraw/zinc/87/01/68/352870168.db2.gz CPVOPUIJNZPPSZ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN COC(=O)c1ccc(O)c(C)c1N 575641447 352870175 /nfs/dbraw/zinc/87/01/75/352870175.db2.gz URDTZEVEGYYFNZ-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)Cc1c(C)cc(N)cc1F 575640800 352870180 /nfs/dbraw/zinc/87/01/80/352870180.db2.gz XGNLAFVMMRTMQY-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(C)cc(N)c1F 575640814 352870185 /nfs/dbraw/zinc/87/01/85/352870185.db2.gz XNHUBAUINSOBLA-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1cc(C)c(OC)cc1N 575641345 352870191 /nfs/dbraw/zinc/87/01/91/352870191.db2.gz RDYHLRBXNNBEFL-UHFFFAOYSA-N 0 0 195.218 1.372 10 0 ADAERN COC(=O)Cc1cc(N)cc(F)c1C 575640894 352870193 /nfs/dbraw/zinc/87/01/93/352870193.db2.gz YVIMZXNZHZQHGA-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1cc(O)cc(N)c1C 575641891 352870197 /nfs/dbraw/zinc/87/01/97/352870197.db2.gz XGUVYWWOJKPPLA-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)Cc1cc(N)c(C)c(F)c1 575639969 352870209 /nfs/dbraw/zinc/87/02/09/352870209.db2.gz MKSXNEYYIVNTSV-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(N)c(F)cc1C 575640700 352870231 /nfs/dbraw/zinc/87/02/31/352870231.db2.gz VQNQFCRQPAMCNV-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN CCOc1cc(C=O)cc(C#N)c1F 575642354 352870249 /nfs/dbraw/zinc/87/02/49/352870249.db2.gz ASCYQTYTYIYWDC-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COC(=O)Cc1c(C)ccc(F)c1N 575639906 352870261 /nfs/dbraw/zinc/87/02/61/352870261.db2.gz KDJCVIDWKUNWGG-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)c1c(C)cc(N)cc1O 575641970 352870278 /nfs/dbraw/zinc/87/02/78/352870278.db2.gz YQIFIQAEXFJIQS-UHFFFAOYSA-N 0 0 181.191 1.069 10 0 ADAERN COC(=O)Cc1cc(F)cc(N)c1C 575640540 352870301 /nfs/dbraw/zinc/87/03/01/352870301.db2.gz QTXDNPHWHVVZQR-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1c(N)cc(C)cc1F 575640849 352870325 /nfs/dbraw/zinc/87/03/25/352870325.db2.gz YMCJGLOXVSRAAA-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(C)c(F)c(N)c1 575640561 352870351 /nfs/dbraw/zinc/87/03/51/352870351.db2.gz RDRIIQHEJBUMKQ-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(N)cc(C)c1F 575640645 352870361 /nfs/dbraw/zinc/87/03/61/352870361.db2.gz UEXCADMQRSYDTN-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1ccc(C)c(F)c1N 575640382 352870370 /nfs/dbraw/zinc/87/03/70/352870370.db2.gz NQXUMOKEOKGFGP-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(F)cc(C)c1N 575640926 352870379 /nfs/dbraw/zinc/87/03/79/352870379.db2.gz ZUJVGZASHKGSDU-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN COC(=O)Cc1cc(C)c(F)cc1N 575640667 352870394 /nfs/dbraw/zinc/87/03/94/352870394.db2.gz UOOJODGPEYEMKB-UHFFFAOYSA-N 0 0 197.209 1.432 10 0 ADAERN CCOc1cc(F)c(C#N)c(C=O)c1 575642697 352870803 /nfs/dbraw/zinc/87/08/03/352870803.db2.gz HADRYHPVVOJDHM-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN Cc1cc(C)c(CO)c(C#N)c1 575642507 352870819 /nfs/dbraw/zinc/87/08/19/352870819.db2.gz CCUHCSGNTDKMLV-UHFFFAOYSA-N 0 0 161.204 1.667 10 0 ADAERN CCOc1cc(C#N)cc(C=O)c1F 575642722 352870822 /nfs/dbraw/zinc/87/08/22/352870822.db2.gz HRYVQRMVZWWURI-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1cc(O)cc(C#N)c1CO 575643081 352870824 /nfs/dbraw/zinc/87/08/24/352870824.db2.gz CKUCVJMEUNVEQS-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN N#Cc1cc(CO)c(O)c(C(F)F)c1 575642763 352870831 /nfs/dbraw/zinc/87/08/31/352870831.db2.gz IWHULUAJKDUAES-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN N#Cc1c(CO)cc(O)cc1C(F)F 575642611 352870836 /nfs/dbraw/zinc/87/08/36/352870836.db2.gz FNSVXNZBFRFMLA-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(C#N)cc(F)c1CO 575643097 352870897 /nfs/dbraw/zinc/87/08/97/352870897.db2.gz MLGIPWLNQHJMQZ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN N#Cc1cc(O)c(C(F)F)cc1CO 575642691 352870898 /nfs/dbraw/zinc/87/08/98/352870898.db2.gz HNWWSDWQIDUWDE-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(C#N)c(OC)cc1O 575643195 352870900 /nfs/dbraw/zinc/87/09/00/352870900.db2.gz DFQMWWUFDPPDPN-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN N#Cc1cc(O)cc(CO)c1C(F)F 575643117 352870906 /nfs/dbraw/zinc/87/09/06/352870906.db2.gz NAGANYRJEHTYLE-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN N#Cc1cc(O)cc(C(F)F)c1CO 575642791 352870909 /nfs/dbraw/zinc/87/09/09/352870909.db2.gz JKCHZVIEAMTUQH-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(OC)c(C#N)cc1O 575643191 352870912 /nfs/dbraw/zinc/87/09/12/352870912.db2.gz DFJLSFJFAZNCML-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCOc1ccc(CO)c(C#N)c1O 575643178 352870915 /nfs/dbraw/zinc/87/09/15/352870915.db2.gz DCZNXTKRSQTSHO-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1cc(C#N)cc(OC)c1O 575643137 352870921 /nfs/dbraw/zinc/87/09/21/352870921.db2.gz CUTKOOMUUUIKAG-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCOc1c(O)cc(C#N)cc1OC 575642961 352870931 /nfs/dbraw/zinc/87/09/31/352870931.db2.gz BCHCCNIPXVOJOD-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCOc1c(C#N)cc(O)cc1C=O 575642977 352870935 /nfs/dbraw/zinc/87/09/35/352870935.db2.gz BQURGGALKPGQRN-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN N#Cc1cc(CO)cc(O)c1C(F)F 575643016 352870938 /nfs/dbraw/zinc/87/09/38/352870938.db2.gz LRTUGTSCWNRRHA-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(O)c(C#N)c(CO)c1 575642947 352870941 /nfs/dbraw/zinc/87/09/41/352870941.db2.gz AIEZLMYEPCLWMT-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN N#Cc1cc(O)c(CO)cc1C(F)F 575643072 352870945 /nfs/dbraw/zinc/87/09/45/352870945.db2.gz MJIQKFFCGPSPKN-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1c(F)cc(C#N)cc1C=O 575643088 352870950 /nfs/dbraw/zinc/87/09/50/352870950.db2.gz MDMXJZNAMMWAIH-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN N#Cc1cc(O)c(CO)c(C(F)F)c1 575642565 352870954 /nfs/dbraw/zinc/87/09/54/352870954.db2.gz DJYJSBJLTVQWPO-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(C#N)c(F)cc1C=O 575642998 352870959 /nfs/dbraw/zinc/87/09/59/352870959.db2.gz KRXWTFDFZIXEIW-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN N#Cc1c(O)cc(CO)cc1C(F)F 575642772 352870960 /nfs/dbraw/zinc/87/09/60/352870960.db2.gz JBQUIUCYMIVHLJ-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1cc(F)cc(CO)c1C#N 575642684 352870979 /nfs/dbraw/zinc/87/09/79/352870979.db2.gz GTAHRNHIWIHVOM-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(O)cc(CO)c1C#N 575642973 352871003 /nfs/dbraw/zinc/87/10/03/352871003.db2.gz BOMKYBZZDDFSTA-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1ccc(C#N)c(F)c1CO 575643268 352871630 /nfs/dbraw/zinc/87/16/30/352871630.db2.gz OQFJAKFBSGIQAW-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(C#N)c(CO)cc1O 575643522 352871515 /nfs/dbraw/zinc/87/15/15/352871515.db2.gz HCCPSDQNIBNGFQ-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN Cc1cc(C)c(C=O)c(C#N)c1 575643686 352871527 /nfs/dbraw/zinc/87/15/27/352871527.db2.gz SOMMUZGVWTXCRN-UHFFFAOYSA-N 0 0 159.188 1.988 10 0 ADAERN CCOc1cc(CO)cc(O)c1C#N 575643355 352871551 /nfs/dbraw/zinc/87/15/51/352871551.db2.gz FHIQYLHFPBDAQA-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1cc(F)c(C#N)cc1CO 575643655 352871570 /nfs/dbraw/zinc/87/15/70/352871570.db2.gz SQXAUEWHJXJJBH-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1c(O)ccc(CO)c1C#N 575643654 352871617 /nfs/dbraw/zinc/87/16/17/352871617.db2.gz IJHAVLKXRAVYEX-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN N#Cc1c(O)cc(C(F)F)cc1CO 575643350 352871638 /nfs/dbraw/zinc/87/16/38/352871638.db2.gz OUBQYXKBFFYAGU-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN Cc1cc(C#N)c(C)c(CO)c1 575643326 352871661 /nfs/dbraw/zinc/87/16/61/352871661.db2.gz PHXVCHQUDQFXON-UHFFFAOYSA-N 0 0 161.204 1.667 10 0 ADAERN CCOc1c(C#N)ccc(CO)c1F 575643602 352871670 /nfs/dbraw/zinc/87/16/70/352871670.db2.gz SCWWJWUFMUMYLD-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN N#Cc1cc(C(F)F)c(CO)cc1O 575643370 352871679 /nfs/dbraw/zinc/87/16/79/352871679.db2.gz OZFIEJKJAQKCBD-UHFFFAOYSA-N 0 0 199.156 1.694 10 0 ADAERN CCOc1c(F)cc(C=O)cc1C#N 575643838 352871715 /nfs/dbraw/zinc/87/17/15/352871715.db2.gz UPHXSNIJEFZKMW-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1c(C#N)ccc(CO)c1O 575643834 352871717 /nfs/dbraw/zinc/87/17/17/352871717.db2.gz JILBEEBDYMSZKE-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1cc(F)cc(C#N)c1CO 575643745 352871721 /nfs/dbraw/zinc/87/17/21/352871721.db2.gz TXHMPJYKFLZQJL-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN CCOc1cc(F)c(C#N)cc1C=O 575643491 352871724 /nfs/dbraw/zinc/87/17/24/352871724.db2.gz RFQARIVJTCYVMI-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCc1c(O)cc(C#N)cc1C=O 575644235 352871966 /nfs/dbraw/zinc/87/19/66/352871966.db2.gz DHZGLEVZHXUCDL-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN CCOc1cc(F)c(CO)c(C#N)c1 575644328 352871983 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575644909 352872725 /nfs/dbraw/zinc/87/27/25/352872725.db2.gz BLZHJTSUUSNZCW-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCOc1cc(CO)cc(C#N)c1C 575644806 352872738 /nfs/dbraw/zinc/87/27/38/352872738.db2.gz FOLSSELAXGKLHA-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN COc1c(F)ccc(C(C)=O)c1C#N 575644767 352872749 /nfs/dbraw/zinc/87/27/49/352872749.db2.gz CFDJUBCKUZTYFY-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCc1ccc(C#N)c(OC)c1C=O 575644816 352872762 /nfs/dbraw/zinc/87/27/62/352872762.db2.gz JRFFWSOMAXNZLS-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1c(C)cc(CO)cc1C#N 575644701 352872772 /nfs/dbraw/zinc/87/27/72/352872772.db2.gz AQAMAMHMPWDDRC-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1cc(OC)cc(CO)c1C#N 575644464 352872782 /nfs/dbraw/zinc/87/27/82/352872782.db2.gz GWENAQLRWXYABQ-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCc1cc(OC)c(C#N)cc1C=O 575644927 352872790 /nfs/dbraw/zinc/87/27/90/352872790.db2.gz KJGGMTSCVBVVNK-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN 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1.576 10 0 ADAERN N#Cc1c(F)ccc([N+](=O)[O-])c1CO 575644883 352873152 /nfs/dbraw/zinc/87/31/52/352873152.db2.gz BLJBAMYXCZEAQY-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCOc1c(F)cc(CO)cc1C#N 575644419 352873167 /nfs/dbraw/zinc/87/31/67/352873167.db2.gz XYWGTDDTPCLDEJ-UHFFFAOYSA-N 0 0 195.193 1.588 10 0 ADAERN N#Cc1cc(O)cc(C=O)c1F 575644772 352873171 /nfs/dbraw/zinc/87/31/71/352873171.db2.gz CIBUCEMJVIUFED-UHFFFAOYSA-N 0 0 165.123 1.215 10 0 ADAERN CCc1cc(C#N)c(CO)cc1C 575644412 352873181 /nfs/dbraw/zinc/87/31/81/352873181.db2.gz AAQIWEVAQONJPL-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1cc(C#N)cc(CO)c1OC 575644503 352873196 /nfs/dbraw/zinc/87/31/96/352873196.db2.gz HKCHNMIGGVFYNQ-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCc1c(O)cc(OC)cc1C#N 575644941 352873201 /nfs/dbraw/zinc/87/32/01/352873201.db2.gz FJDRBNDZVDDZBC-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCOc1cc(F)c(C=O)cc1C#N 575644874 352873231 /nfs/dbraw/zinc/87/32/31/352873231.db2.gz YXYAQCAYMYVLKJ-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1c(C#N)cc(O)cc1CO 575644506 352873237 /nfs/dbraw/zinc/87/32/37/352873237.db2.gz NODXMVJHOBOFMJ-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCc1c(C#N)ccc(CO)c1OC 575644793 352873249 /nfs/dbraw/zinc/87/32/49/352873249.db2.gz JGRHEOBWQPYBGE-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN COc1c(CO)ccc(C)c1C#N 575645292 352873533 /nfs/dbraw/zinc/87/35/33/352873533.db2.gz DXQQOCVNFDIDIZ-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1ccc(C#N)c([N+](=O)[O-])c1F 575645072 352873540 /nfs/dbraw/zinc/87/35/40/352873540.db2.gz CCIJXAYIKGKGPK-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN COc1c(C#N)ccc(CO)c1F 575645136 352873546 /nfs/dbraw/zinc/87/35/46/352873546.db2.gz CNMZGHNKNKPFLF-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN N#Cc1cc(F)cc([N+](=O)[O-])c1C=O 575645026 352873549 /nfs/dbraw/zinc/87/35/49/352873549.db2.gz BVZBUVQEDZYCEY-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN COc1c(O)cc(F)cc1C#N 575645216 352873573 /nfs/dbraw/zinc/87/35/73/352873573.db2.gz FLRHAFVDHLQHNG-UHFFFAOYSA-N 0 0 167.139 1.412 10 0 ADAERN CC(=O)c1cc(C#N)c(F)c(C=O)c1 575645298 352873578 /nfs/dbraw/zinc/87/35/78/352873578.db2.gz GHPOITGKBQARLW-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN COc1ccc(C#N)c(F)c1C=O 575645011 352873582 /nfs/dbraw/zinc/87/35/82/352873582.db2.gz DAWUGWMNPVLHNS-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CCc1cc(OC)cc(O)c1C#N 575645010 352873594 /nfs/dbraw/zinc/87/35/94/352873594.db2.gz FVQJFXAYQVLBFZ-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCOc1cc(F)c(C=O)c(C#N)c1 575645068 352873600 /nfs/dbraw/zinc/87/36/00/352873600.db2.gz ZVDDDVHUROOZJO-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1cc(C#N)c(C)cc1C=O 575644999 352873609 /nfs/dbraw/zinc/87/36/09/352873609.db2.gz CSQJCLOQVXIORO-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1c(C=O)ccc(C#N)c1C 575644995 352873617 /nfs/dbraw/zinc/87/36/17/352873617.db2.gz CORHFJSEUXHMAB-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1c(C#N)cc(C)cc1CO 575644974 352873632 /nfs/dbraw/zinc/87/36/32/352873632.db2.gz CDOGSDFTQJQLPB-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN CCc1c(C)cc(C#N)cc1CO 575645089 352873649 /nfs/dbraw/zinc/87/36/49/352873649.db2.gz CTCZUKCHQPHJGL-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN COc1cc(F)cc(CO)c1C#N 575645066 352873669 /nfs/dbraw/zinc/87/36/69/352873669.db2.gz BZRVPCYDEKPILT-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN Cc1ccc(CO)c(C#N)c1F 575645114 352873680 /nfs/dbraw/zinc/87/36/80/352873680.db2.gz CGYNCMKCHWQKFT-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CC(=O)c1cc(O)cc(C#N)c1F 575645078 352873687 /nfs/dbraw/zinc/87/36/87/352873687.db2.gz DDHRRYAHIDWJOQ-UHFFFAOYSA-N 0 0 179.150 1.606 10 0 ADAERN COc1cc(C#N)c(F)cc1CO 575645036 352873697 /nfs/dbraw/zinc/87/36/97/352873697.db2.gz BXSFOKVMEQTWPD-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN N#Cc1cc(F)cc([N+](=O)[O-])c1CO 575645320 352873705 /nfs/dbraw/zinc/87/37/05/352873705.db2.gz DZBNOZVRSHDRAB-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN N#Cc1ccc([N+](=O)[O-])c(C=O)c1F 575645093 352873708 /nfs/dbraw/zinc/87/37/08/352873708.db2.gz CDEJEOUGHPPBHX-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN N#CCc1c(F)cc(C=O)cc1C#N 575645080 352873712 /nfs/dbraw/zinc/87/37/12/352873712.db2.gz DJDIEYCYAIXXLG-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN COc1cc([N+](=O)[O-])c(F)cc1C#N 575645353 352873715 /nfs/dbraw/zinc/87/37/15/352873715.db2.gz FIIRFWWTVBVKOI-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN CC(=O)c1cc(C#N)cc(C=O)c1F 575645082 352873724 /nfs/dbraw/zinc/87/37/24/352873724.db2.gz DPLBJUHVRJOQQW-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN CCc1cc(O)cc(C=O)c1C#N 575645108 352873727 /nfs/dbraw/zinc/87/37/27/352873727.db2.gz GHWCPFHPDPVUMV-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN CCOc1c(C#N)ccc(OC)c1O 575645302 352873740 /nfs/dbraw/zinc/87/37/40/352873740.db2.gz ODIJKZBMDCAWBN-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCc1cc(C=O)cc(CC#N)c1C#N 575645350 352873763 /nfs/dbraw/zinc/87/37/63/352873763.db2.gz HTASDABEHHVFHZ-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN N#CCc1cc(F)c(C#N)c(C=O)c1 575645123 352873768 /nfs/dbraw/zinc/87/37/68/352873768.db2.gz FACASLIWHOWWQZ-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CCc1cc(C=O)cc(C#N)c1CC#N 575645238 352873780 /nfs/dbraw/zinc/87/37/80/352873780.db2.gz GYIPWHOGDMNFQX-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN COc1c(C)ccc(C=O)c1C#N 575644986 352873785 /nfs/dbraw/zinc/87/37/85/352873785.db2.gz CLNPVRRCNCBOBL-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1ccc(CO)c(F)c1C#N 575645299 352873802 /nfs/dbraw/zinc/87/38/02/352873802.db2.gz DVSWTKNISCYVFO-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN CC(=O)c1cc(F)cc(C#N)c1C=O 575645015 352873805 /nfs/dbraw/zinc/87/38/05/352873805.db2.gz DBFNHJVMEPQGBV-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN N#Cc1cc(CO)c([N+](=O)[O-])cc1F 575645179 352873813 /nfs/dbraw/zinc/87/38/13/352873813.db2.gz DDJIQDSQUMTOQF-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1cc(C#N)c(C)cc1CO 575645370 352873840 /nfs/dbraw/zinc/87/38/40/352873840.db2.gz FMVQWOAPIFKIPB-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1cc(C#N)c(O)cc1C=O 575645269 352873844 /nfs/dbraw/zinc/87/38/44/352873844.db2.gz HBWVXKHUJXFHSA-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN COc1cc(C(C)=O)c(C#N)cc1F 575645100 352873850 /nfs/dbraw/zinc/87/38/50/352873850.db2.gz DWIFJNRJSOXHRI-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN Cc1c(C#N)ccc(F)c1CO 575645345 352873864 /nfs/dbraw/zinc/87/38/64/352873864.db2.gz FFACUGOICOOWAE-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN Cc1cc(C#N)c(F)cc1CO 575645153 352873868 /nfs/dbraw/zinc/87/38/68/352873868.db2.gz DAHBQEGFMSLLMH-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1c(C#N)ccc(C(N)=O)c1F 575645111 352873872 /nfs/dbraw/zinc/87/38/72/352873872.db2.gz AIOKYEXJQVJZEK-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CC(=O)c1c(F)cc(C#N)cc1C=O 575645244 352873878 /nfs/dbraw/zinc/87/38/78/352873878.db2.gz FTEACHGASXNXIY-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN COc1c(C)ccc(C#N)c1C=O 575645205 352873883 /nfs/dbraw/zinc/87/38/83/352873883.db2.gz DIQMMMDEHUYDSV-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN N#Cc1c([N+](=O)[O-])ccc(C=O)c1F 575645128 352873904 /nfs/dbraw/zinc/87/39/04/352873904.db2.gz CJDRUCHVSKUKOZ-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCc1c(F)cc(C(N)=O)cc1C#N 575645540 352874281 /nfs/dbraw/zinc/87/42/81/352874281.db2.gz BNQSXXRLPGYXGP-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCOc1cc(O)cc(C#N)c1OC 575645668 352874286 /nfs/dbraw/zinc/87/42/86/352874286.db2.gz ROLBSQJJVXOHTK-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CC(=O)c1c(O)cc(C=O)cc1C#N 575645828 352874292 /nfs/dbraw/zinc/87/42/92/352874292.db2.gz GSGVANNQVKKFAW-UHFFFAOYSA-N 0 0 189.170 1.279 10 0 ADAERN N#Cc1c(F)cc(C=O)cc1[N+](=O)[O-] 575645386 352874306 /nfs/dbraw/zinc/87/43/06/352874306.db2.gz FNWJLYKHZRBKCI-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCOc1c(O)cc(CO)cc1C#N 575645714 352874313 /nfs/dbraw/zinc/87/43/13/352874313.db2.gz SDBVICAWHNCLSR-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCc1cc(C=O)cc(C#N)c1OC 575645638 352874325 /nfs/dbraw/zinc/87/43/25/352874325.db2.gz MDTVANIJIRHJHV-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1c(C#N)cc(CC#N)cc1C=O 575645504 352874327 /nfs/dbraw/zinc/87/43/27/352874327.db2.gz JAIZOMHXCVTTII-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CCOc1cc(O)c(OC)cc1C#N 575645558 352874330 /nfs/dbraw/zinc/87/43/30/352874330.db2.gz QRYWRMVXGARLHC-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN COc1ccc(CO)c(C)c1C#N 575645398 352874335 /nfs/dbraw/zinc/87/43/35/352874335.db2.gz FTAAIURFVIRTGE-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN CCOc1c(C#N)ccc(O)c1CO 575645700 352874339 /nfs/dbraw/zinc/87/43/39/352874339.db2.gz RURFTZYCVJYYOZ-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN Cc1ccc(C#N)c(CO)c1F 575645465 352874343 /nfs/dbraw/zinc/87/43/43/352874343.db2.gz GKPPYSHQNOEGKU-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1cc(CO)cc(F)c1C#N 575645561 352874347 /nfs/dbraw/zinc/87/43/47/352874347.db2.gz BWEPIQXJNCJNJO-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCOc1cc(CO)cc(C)c1C#N 575645716 352874355 /nfs/dbraw/zinc/87/43/55/352874355.db2.gz GAPLDPXVVJRIKY-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCOc1c(O)cc(C=O)cc1C#N 575645818 352874368 /nfs/dbraw/zinc/87/43/68/352874368.db2.gz SRWXZHZSESNLTI-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN Cc1c(CO)ccc(F)c1C#N 575645402 352874372 /nfs/dbraw/zinc/87/43/72/352874372.db2.gz FUJVNERTSJVQKR-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1c(CO)ccc(F)c1C#N 575645413 352874374 /nfs/dbraw/zinc/87/43/74/352874374.db2.gz ASJWLRLPRJRKLF-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(F)cc(C#N)c1CO 575645683 352874377 /nfs/dbraw/zinc/87/43/77/352874377.db2.gz CRDHHBMCUOPSEJ-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCOc1ccc(CO)c(O)c1C#N 575645604 352874380 /nfs/dbraw/zinc/87/43/80/352874380.db2.gz RCVHTSYEDBRXGG-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN Cc1cc([N+](=O)[O-])c(C=O)cc1C#N 575645624 352874385 /nfs/dbraw/zinc/87/43/85/352874385.db2.gz BKLXXEADZVPGOU-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN Cc1cc(C#N)cc(CO)c1F 575645391 352874387 /nfs/dbraw/zinc/87/43/87/352874387.db2.gz FQELUDLFWJXFBF-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN N#Cc1ccc(F)c(CO)c1[N+](=O)[O-] 575645480 352874389 /nfs/dbraw/zinc/87/43/89/352874389.db2.gz GOLMZVNFCZOSGY-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1c(C#N)ccc(OC)c1C=O 575645767 352874397 /nfs/dbraw/zinc/87/43/97/352874397.db2.gz MYSGXJSQWAWRCX-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1cc(CC#N)cc(C#N)c1C=O 575645615 352874410 /nfs/dbraw/zinc/87/44/10/352874410.db2.gz KLDMJSIFHOGKJL-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN COc1c(C#N)ccc(F)c1CO 575645484 352874422 /nfs/dbraw/zinc/87/44/22/352874422.db2.gz GOLOOZQBALFTIU-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1cc([N+](=O)[O-])cc(C#N)c1F 575645389 352874425 /nfs/dbraw/zinc/87/44/25/352874425.db2.gz FPJSAJOEMHBLOE-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN CCc1cc(C#N)cc(C=O)c1OC 575645757 352874437 /nfs/dbraw/zinc/87/44/37/352874437.db2.gz MRJANWNHSCPWTP-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1cc(CC#N)cc(C=O)c1C#N 575645472 352874440 /nfs/dbraw/zinc/87/44/40/352874440.db2.gz ISFKQGXORQIJBS-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CCOc1ccc(O)c(C#N)c1CO 575645565 352874461 /nfs/dbraw/zinc/87/44/61/352874461.db2.gz QTJXVJNCINNXAF-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN COc1c(C#N)ccc(C)c1C=O 575645468 352874468 /nfs/dbraw/zinc/87/44/68/352874468.db2.gz GGKWQYAIFBZERP-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1cc(C=O)c(CC#N)cc1C#N 575645626 352874478 /nfs/dbraw/zinc/87/44/78/352874478.db2.gz KNXRUAZXZHFHFD-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CCOc1cc(O)c(C#N)cc1OC 575645378 352874501 /nfs/dbraw/zinc/87/45/01/352874501.db2.gz ONKADODKODOSPG-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCOc1cc(O)c(CO)cc1C#N 575645693 352874521 /nfs/dbraw/zinc/87/45/21/352874521.db2.gz RULNYRAXWXWQFT-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCc1cc(F)cc(CO)c1C#N 575645745 352874533 /nfs/dbraw/zinc/87/45/33/352874533.db2.gz DHIXTQZGALHVGF-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCOc1cc(O)c(C#N)c(C=O)c1 575645686 352874545 /nfs/dbraw/zinc/87/45/45/352874545.db2.gz RSTQTGYZUVQCQA-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN CCc1c(C#N)cc(OC)cc1C=O 575645802 352874552 /nfs/dbraw/zinc/87/45/52/352874552.db2.gz NGAFTRWXTYYKCI-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN COc1ccc(C#N)c(CO)c1F 575645424 352874563 /nfs/dbraw/zinc/87/45/63/352874563.db2.gz GAGNTRHBXXOFPE-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN Cc1cc(CO)c(C#N)cc1F 575645392 352874578 /nfs/dbraw/zinc/87/45/78/352874578.db2.gz FTYJTOVAKJPZOU-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN N#CCc1cc(C#N)c(F)c(C=O)c1 575645996 352874835 /nfs/dbraw/zinc/87/48/35/352874835.db2.gz HOKXBCXUZLMFRV-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN N#Cc1cc(CO)c(F)c([N+](=O)[O-])c1 575646095 352874841 /nfs/dbraw/zinc/87/48/41/352874841.db2.gz IOOMNILNJAXWAO-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN Cc1ccc(C#N)c(F)c1CO 575646017 352874856 /nfs/dbraw/zinc/87/48/56/352874856.db2.gz HYPZWLHOBNYHDC-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN N#Cc1cc(F)c([N+](=O)[O-])cc1C=O 575646060 352874867 /nfs/dbraw/zinc/87/48/67/352874867.db2.gz IGEPOELTJLBZAV-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN COc1c(F)ccc(C#N)c1C=O 575646316 352874872 /nfs/dbraw/zinc/87/48/72/352874872.db2.gz IGLNURBWQPPJFH-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CCc1cc(C=O)cc(O)c1C#N 575646044 352874880 /nfs/dbraw/zinc/87/48/80/352874880.db2.gz LZGARAUWQKSVTK-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN CCc1cc(C)c(C#N)cc1C(N)=O 575645985 352874894 /nfs/dbraw/zinc/87/48/94/352874894.db2.gz NTRVTAGEACLDDQ-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCc1c(C#N)ccc(F)c1C(N)=O 575646239 352874902 /nfs/dbraw/zinc/87/49/02/352874902.db2.gz FVGNOPWOQZQHDK-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1cc([N+](=O)[O-])c(C#N)cc1F 575646007 352874940 /nfs/dbraw/zinc/87/49/40/352874940.db2.gz HUKJRMHYDJWCMN-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN N#CCc1cc(C#N)cc(F)c1C=O 575646286 352874947 /nfs/dbraw/zinc/87/49/47/352874947.db2.gz IBLUCIXTCBZJOB-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN COc1cc(F)cc(C#N)c1C=O 575645882 352874957 /nfs/dbraw/zinc/87/49/57/352874957.db2.gz GVJAXKCBSBZXSG-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CCc1cc(C(N)=O)c(C#N)cc1C 575645929 352874976 /nfs/dbraw/zinc/87/49/76/352874976.db2.gz NOCPRGLPLZJVLE-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCOc1cc(C)c(CO)c(C#N)c1 575645875 352875001 /nfs/dbraw/zinc/87/50/01/352875001.db2.gz GSORGPXGHHAEAX-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN COc1c(F)ccc(C#N)c1C(C)=O 575645971 352875030 /nfs/dbraw/zinc/87/50/30/352875030.db2.gz HINGVXKAUGXDDT-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1cc(C)cc(C#N)c1C=O 575646179 352875042 /nfs/dbraw/zinc/87/50/42/352875042.db2.gz IDRRQMOFXWKSCY-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCOc1c(O)cc(OC)cc1C#N 575646048 352875046 /nfs/dbraw/zinc/87/50/46/352875046.db2.gz UJFRJSFVTAGSAB-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCOc1ccc(CO)c(C#N)c1C 575646307 352875059 /nfs/dbraw/zinc/87/50/59/352875059.db2.gz IECAMUHCMQVPII-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN Cc1cc(F)cc(C=O)c1C#N 575646326 352875063 /nfs/dbraw/zinc/87/50/63/352875063.db2.gz JMBUIQUIHANJII-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN CCc1ccc(C#N)c(C=O)c1OC 575645890 352875069 /nfs/dbraw/zinc/87/50/69/352875069.db2.gz NHILKRGHSSBWTR-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1cc(C)cc(C#N)c1C(N)=O 575645916 352875077 /nfs/dbraw/zinc/87/50/77/352875077.db2.gz NLPHHUAQBAWOLO-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN Cc1ccc(F)c(CO)c1C#N 575645832 352875080 /nfs/dbraw/zinc/87/50/80/352875080.db2.gz GXITWFXEUJEBBP-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN N#Cc1cc(F)c([N+](=O)[O-])c(CO)c1 575645963 352875088 /nfs/dbraw/zinc/87/50/88/352875088.db2.gz HMOYWGARVCRHAB-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN COc1c(C#N)ccc(F)c1[N+](=O)[O-] 575645919 352875093 /nfs/dbraw/zinc/87/50/93/352875093.db2.gz HGSHVVLQBTWWIE-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN Cc1cc(CO)cc(F)c1C#N 575646330 352875096 /nfs/dbraw/zinc/87/50/96/352875096.db2.gz JNFKHGBIGZJVAL-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN COc1cc([N+](=O)[O-])cc(F)c1C#N 575645937 352875100 /nfs/dbraw/zinc/87/51/00/352875100.db2.gz HKTWFSRJBHACLI-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN COc1cc(F)cc(C#N)c1CO 575646003 352875110 /nfs/dbraw/zinc/87/51/10/352875110.db2.gz HSUVTSUKPHFWSE-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN CCOc1cc(C#N)c(O)cc1C=O 575646270 352875114 /nfs/dbraw/zinc/87/51/14/352875114.db2.gz USYWWQNSGJGZLX-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN COc1cc(CO)c(F)cc1C#N 575645869 352875119 /nfs/dbraw/zinc/87/51/19/352875119.db2.gz HAHFIYAGJMCHDZ-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN Cc1cc(F)cc(C#N)c1CO 575645995 352875149 /nfs/dbraw/zinc/87/51/49/352875149.db2.gz HSKTVKPOYYTUMX-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN N#CCc1ccc(C#N)c(F)c1C=O 575645903 352875155 /nfs/dbraw/zinc/87/51/55/352875155.db2.gz HAMOHBRACKAMQS-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CCc1c(C(N)=O)ccc(F)c1C#N 575645841 352875169 /nfs/dbraw/zinc/87/51/69/352875169.db2.gz DPGHKDJVFTWAKK-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(C#N)cc(C(N)=O)c1C 575645979 352875175 /nfs/dbraw/zinc/87/51/75/352875175.db2.gz NSNLVRPBQBOKAC-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCOc1cc(C=O)cc(O)c1C#N 575646074 352875180 /nfs/dbraw/zinc/87/51/80/352875180.db2.gz UKMSSCBKPVTJAU-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN COc1cc(C#N)c(CO)cc1C 575646098 352875187 /nfs/dbraw/zinc/87/51/87/352875187.db2.gz HTYHZWZPPRMHJV-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN CCc1c(C#N)ccc(C=O)c1O 575645843 352875202 /nfs/dbraw/zinc/87/52/02/352875202.db2.gz KWIWJFGHLYVPGO-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN CC(=O)c1cc(F)c(C=O)cc1C#N 575645970 352875226 /nfs/dbraw/zinc/87/52/26/352875226.db2.gz HHHYOCYDZZCJTR-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN Cc1cc(C#N)c(F)cc1C=O 575646101 352875241 /nfs/dbraw/zinc/87/52/41/352875241.db2.gz ISUCLMAHLXQSCH-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN COc1cc(C#N)cc(C)c1[N+](=O)[O-] 575646191 352875245 /nfs/dbraw/zinc/87/52/45/352875245.db2.gz CFIVOMSUMAUSNU-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN COc1cc(C#N)cc(C(C)=O)c1F 575646294 352875249 /nfs/dbraw/zinc/87/52/49/352875249.db2.gz IFNQFTCQKABENS-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCc1ccc(OC)c(C#N)c1C=O 575646001 352875252 /nfs/dbraw/zinc/87/52/52/352875252.db2.gz NVORLQOFHMTWSI-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCOc1cc(O)cc(OC)c1C#N 575646141 352875256 /nfs/dbraw/zinc/87/52/56/352875256.db2.gz UMMBENPVFCKERV-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN COc1cc(C#N)c(F)c([N+](=O)[O-])c1 575645936 352875262 /nfs/dbraw/zinc/87/52/62/352875262.db2.gz HJYRABUSAMWXPR-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN COc1cc(F)c([N+](=O)[O-])cc1C#N 575645829 352875283 /nfs/dbraw/zinc/87/52/83/352875283.db2.gz GUUPPGOSYKTLTK-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN CC(=O)c1cc(C=O)c(F)cc1C#N 575646026 352875287 /nfs/dbraw/zinc/87/52/87/352875287.db2.gz HTBZUAXCNVWPIC-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN CCc1cc(CO)c(C#N)cc1C=O 575646263 352875290 /nfs/dbraw/zinc/87/52/90/352875290.db2.gz DIEQFXVQYKFWNM-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN N#Cc1cc(CO)cc(F)c1[N+](=O)[O-] 575646574 352875552 /nfs/dbraw/zinc/87/55/52/352875552.db2.gz JUZJEZUQQVYYOW-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CC(=O)c1cc(C=O)cc(F)c1C#N 575646397 352875493 /nfs/dbraw/zinc/87/54/93/352875493.db2.gz IIXJMQOOGRSRBK-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN COc1ccc(C#N)c(C=O)c1C 575646533 352875497 /nfs/dbraw/zinc/87/54/97/352875497.db2.gz JZGQXBZDTVIAOV-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1c(C)cc(C#N)cc1[N+](=O)[O-] 575646532 352875508 /nfs/dbraw/zinc/87/55/08/352875508.db2.gz DBHDGFZTZNEEII-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN CCc1cc(C#N)c(C=O)cc1CC#N 575646508 352875516 /nfs/dbraw/zinc/87/55/16/352875516.db2.gz OGORFQVMANQYCG-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN COc1ccc(C#N)c(F)c1[N+](=O)[O-] 575646754 352875530 /nfs/dbraw/zinc/87/55/30/352875530.db2.gz KMIIKMGCPLWMJM-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN COc1cc(C#N)c(C(C)=O)cc1F 575646724 352875535 /nfs/dbraw/zinc/87/55/35/352875535.db2.gz JMGROEZYMUQNNY-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1cc(C#N)c(O)cc1CO 575646526 352875554 /nfs/dbraw/zinc/87/55/54/352875554.db2.gz VUYZJTPLPJESMI-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCc1cc(C=O)cc(C#N)c1CO 575646654 352875573 /nfs/dbraw/zinc/87/55/73/352875573.db2.gz FEPUPGFVAPQHQB-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN Cc1c(CO)ccc(C#N)c1F 575646561 352875585 /nfs/dbraw/zinc/87/55/85/352875585.db2.gz JUKXQVOKAUZMTE-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1cc(C#N)cc(OC)c1O 575646477 352875598 /nfs/dbraw/zinc/87/55/98/352875598.db2.gz OBKOSTKKCBALGG-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCOc1cc(C)cc(CO)c1C#N 575646756 352875606 /nfs/dbraw/zinc/87/56/06/352875606.db2.gz JLOLOYZBMUVTHI-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(CO)cc(C)c1C#N 575646616 352875613 /nfs/dbraw/zinc/87/56/13/352875613.db2.gz ITNOLEOUSZGMQA-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN Cc1cc(C#N)c([N+](=O)[O-])c(C=O)c1 575646419 352875624 /nfs/dbraw/zinc/87/56/24/352875624.db2.gz CRPGMNKHRFHXQE-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1cc(C#N)c(C)c(C(N)=O)c1 575646751 352875661 /nfs/dbraw/zinc/87/56/61/352875661.db2.gz PGVRKXHBWUWQHP-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN N#Cc1c(C=O)cc(F)cc1[N+](=O)[O-] 575646427 352875669 /nfs/dbraw/zinc/87/56/69/352875669.db2.gz JSGSDNDHTJQMSX-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCOc1cc(C#N)cc(C)c1CO 575646501 352875690 /nfs/dbraw/zinc/87/56/90/352875690.db2.gz IUDSMWXNPPWQKR-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(O)c(C=O)c(C#N)c1 575646450 352875695 /nfs/dbraw/zinc/87/56/95/352875695.db2.gz NWSNVLWAUKEYCH-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN CCc1cc(C(N)=O)cc(C#N)c1F 575646551 352875699 /nfs/dbraw/zinc/87/56/99/352875699.db2.gz GQGSVPOVQKNYFT-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(C#N)cc(C)c1CO 575646779 352875723 /nfs/dbraw/zinc/87/57/23/352875723.db2.gz JLUOXOHYLPYIEI-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1cc(O)c(OC)cc1C#N 575646500 352875730 /nfs/dbraw/zinc/87/57/30/352875730.db2.gz OCVQWFDOTUTNFF-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCc1cc(O)cc(C#N)c1OC 575646530 352875736 /nfs/dbraw/zinc/87/57/36/352875736.db2.gz OLPFDDIZWUGRPK-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCc1cc(OC)c(C#N)cc1CO 575646338 352875740 /nfs/dbraw/zinc/87/57/40/352875740.db2.gz OEOMIGYAQIWYCZ-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCOc1c(C)cc(CO)cc1C#N 575646765 352875744 /nfs/dbraw/zinc/87/57/44/352875744.db2.gz JLYUKOQKDYTLTP-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(O)c(C#N)cc1OC 575646705 352875768 /nfs/dbraw/zinc/87/57/68/352875768.db2.gz PHTRTDVADLBVSR-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN COc1c(F)cc(C#N)cc1C=O 575646596 352875800 /nfs/dbraw/zinc/87/58/00/352875800.db2.gz JASINKYZHTZVTH-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CCc1c(C#N)cc(C=O)cc1CC#N 575646564 352875812 /nfs/dbraw/zinc/87/58/12/352875812.db2.gz ONVGDCQPYKLBNF-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CCc1cc(C#N)c(C=O)cc1O 575646399 352875816 /nfs/dbraw/zinc/87/58/16/352875816.db2.gz NJNFMOAAAFIBNZ-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN COc1cc(CO)cc(C)c1C#N 575646738 352875824 /nfs/dbraw/zinc/87/58/24/352875824.db2.gz KQDLOOMZRUMPGE-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN CCOc1cc(C)c(C#N)cc1CO 575646442 352875830 /nfs/dbraw/zinc/87/58/30/352875830.db2.gz IPIYKEJVXBHJFT-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN Cc1c(C#N)ccc(CO)c1F 575646696 352875839 /nfs/dbraw/zinc/87/58/39/352875839.db2.gz KFAZZEWPDQOQRB-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN COc1ccc(C(C)=O)c(C#N)c1F 575646544 352875846 /nfs/dbraw/zinc/87/58/46/352875846.db2.gz IRJXTJNJXLGBEP-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1cc(C#N)cc(F)c1C(C)=O 575646516 352875851 /nfs/dbraw/zinc/87/58/51/352875851.db2.gz INHNSEHEYNYNFT-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN Cc1c(C#N)cc(F)cc1CO 575646410 352875855 /nfs/dbraw/zinc/87/58/55/352875855.db2.gz JPPLXFFJUDYANB-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCOc1ccc(O)c(CO)c1C#N 575646569 352875864 /nfs/dbraw/zinc/87/58/64/352875864.db2.gz VYIXHPJYPQEBHE-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCOc1cc(C#N)c(CO)cc1C 575646695 352875875 /nfs/dbraw/zinc/87/58/75/352875875.db2.gz JFTCAUBYZJYSOE-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN COc1cc(C=O)cc(F)c1C#N 575646655 352875884 /nfs/dbraw/zinc/87/58/84/352875884.db2.gz JGPFGXLUZAJVHL-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN COc1c(C#N)cc(F)cc1C=O 575646818 352875891 /nfs/dbraw/zinc/87/58/91/352875891.db2.gz KCDQRINELIZYOB-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CC(=O)c1c(F)cc(C=O)cc1C#N 575646378 352875896 /nfs/dbraw/zinc/87/58/96/352875896.db2.gz IICDFQGJCWKXAH-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN COc1cc(C#N)c(C)c(CO)c1 575646807 352875903 /nfs/dbraw/zinc/87/59/03/352875903.db2.gz KWEZKJZBPIGFNO-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1c(C=O)ccc(F)c1C#N 575646620 352875907 /nfs/dbraw/zinc/87/59/07/352875907.db2.gz JFAWTVKNEACIPB-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN COc1cc(C#N)c(C=O)cc1C 575646467 352875910 /nfs/dbraw/zinc/87/59/10/352875910.db2.gz JMAIKECTLRHLDU-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1cc(C#N)c(F)c(C=O)c1 575646803 352875940 /nfs/dbraw/zinc/87/59/40/352875940.db2.gz JWIHZJBPWWLOMI-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN COc1c(C)ccc(CO)c1C#N 575646719 352875944 /nfs/dbraw/zinc/87/59/44/352875944.db2.gz KMADLUQSHNWUMJ-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN CCc1cc(OC)c(O)cc1C#N 575646668 352875953 /nfs/dbraw/zinc/87/59/53/352875953.db2.gz PDOZGRARSQKEGN-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CC(=O)c1cc(F)cc(C=O)c1C#N 575646483 352875962 /nfs/dbraw/zinc/87/59/62/352875962.db2.gz INGPBTCTVKGBGZ-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN N#Cc1ccc([N+](=O)[O-])c(CO)c1F 575646651 352875966 /nfs/dbraw/zinc/87/59/66/352875966.db2.gz KEFFUZRCNDGMEH-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN N#Cc1c(CO)ccc(F)c1[N+](=O)[O-] 575646837 352876268 /nfs/dbraw/zinc/87/62/68/352876268.db2.gz KWMLIKIDRAQQGD-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCOc1cc(C=O)c(O)cc1C#N 575646909 352876277 /nfs/dbraw/zinc/87/62/77/352876277.db2.gz WZDPWUOOFWLBAL-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN CCOc1cc(O)c(C#N)c(OC)c1 575647156 352876290 /nfs/dbraw/zinc/87/62/90/352876290.db2.gz YLTLWVDIWRIQEJ-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCc1ccc(C(N)=O)c(F)c1C#N 575646867 352876294 /nfs/dbraw/zinc/87/62/94/352876294.db2.gz HETURNMOKZROOE-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCOc1c(O)cc(C#N)cc1C=O 575646979 352876313 /nfs/dbraw/zinc/87/63/13/352876313.db2.gz XJSAVIIXGTYNDA-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN COc1cc(F)c(C#N)c(C=O)c1 575646944 352876316 /nfs/dbraw/zinc/87/63/16/352876316.db2.gz KLNLEDVBNNQJHP-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CCc1cc(OC)c(C#N)cc1O 575647181 352876320 /nfs/dbraw/zinc/87/63/20/352876320.db2.gz PWWRFHFTOMTJCR-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCc1c(F)ccc(C#N)c1C(N)=O 575647044 352876337 /nfs/dbraw/zinc/87/63/37/352876337.db2.gz IJPFEWCYXRFLQJ-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1ccc(F)c(C#N)c1CO 575646983 352876339 /nfs/dbraw/zinc/87/63/39/352876339.db2.gz LRLXFHDRVJQRMT-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN CCc1cc(C#N)c(F)cc1C(N)=O 575646943 352876342 /nfs/dbraw/zinc/87/63/42/352876342.db2.gz HNQSFCMYPIILTG-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCOc1c(O)cc(C#N)cc1CO 575647056 352876351 /nfs/dbraw/zinc/87/63/51/352876351.db2.gz XSSYXHPRQBZTPH-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CC(=O)c1cc(F)c(C#N)c(C=O)c1 575646995 352876355 /nfs/dbraw/zinc/87/63/55/352876355.db2.gz KZEXQNMZOYZTNF-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN CCc1cc(C=O)cc(OC)c1C#N 575647269 352876357 /nfs/dbraw/zinc/87/63/57/352876357.db2.gz QPODGBMBDLAHEC-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1cc(CC#N)c(C=O)cc1C#N 575647255 352876363 /nfs/dbraw/zinc/87/63/63/352876363.db2.gz QTPYCYCQTUVTJU-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CCc1cc(C#N)c(OC)cc1O 575647243 352876372 /nfs/dbraw/zinc/87/63/72/352876372.db2.gz QPTRCOXFEQDZRI-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN COc1c(C=O)ccc(C)c1C#N 575646883 352876384 /nfs/dbraw/zinc/87/63/84/352876384.db2.gz LAVQNCHYEPRZNO-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1cc(OC)c(C=O)cc1C#N 575647209 352876387 /nfs/dbraw/zinc/87/63/87/352876387.db2.gz PZOPHEVYFVIVAN-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN N#Cc1c(CO)cc(F)cc1[N+](=O)[O-] 575646937 352876391 /nfs/dbraw/zinc/87/63/91/352876391.db2.gz LMEQSUBAQIUHID-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1ccc(C#N)c(F)c1C(N)=O 575647019 352876394 /nfs/dbraw/zinc/87/63/94/352876394.db2.gz IGKNURJZWLVHNJ-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(C#N)c(CO)c(OC)c1 575647203 352876406 /nfs/dbraw/zinc/87/64/06/352876406.db2.gz PTXKXVBKTKCOHB-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN COc1c(F)cc(C#N)cc1C(C)=O 575646897 352876411 /nfs/dbraw/zinc/87/64/11/352876411.db2.gz KGABLSHOONASJJ-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1c(C#N)ccc(C=O)c1O 575647162 352876417 /nfs/dbraw/zinc/87/64/17/352876417.db2.gz YOYKAYPFMFFVIW-UHFFFAOYSA-N 0 0 191.186 1.475 10 0 ADAERN COc1c(C(C)=O)ccc(F)c1C#N 575647015 352876424 /nfs/dbraw/zinc/87/64/24/352876424.db2.gz LEOVITDAKMAANU-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1cc(F)c(O)c(C#N)c1 575647009 352876442 /nfs/dbraw/zinc/87/64/42/352876442.db2.gz LASMLPXTDNVLLE-UHFFFAOYSA-N 0 0 167.139 1.412 10 0 ADAERN CCc1cc(C=O)c(C#N)c(OC)c1 575647216 352876447 /nfs/dbraw/zinc/87/64/47/352876447.db2.gz QBXFRCUQMKGHGP-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCOc1cc(C#N)c(O)cc1OC 575647210 352876450 /nfs/dbraw/zinc/87/64/50/352876450.db2.gz ZHKYMQJQKBUZLX-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCc1c(C#N)ccc(C=O)c1OC 575647266 352876457 /nfs/dbraw/zinc/87/64/57/352876457.db2.gz QNMPPQAIQHFQJA-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN N#Cc1cc(C=O)cc([N+](=O)[O-])c1F 575646912 352876467 /nfs/dbraw/zinc/87/64/67/352876467.db2.gz LIWBBECJOBWEPE-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN COc1cc([N+](=O)[O-])c(C)cc1C#N 575646951 352876473 /nfs/dbraw/zinc/87/64/73/352876473.db2.gz FPKITKLHYDYJRT-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN CCc1ccc(F)c(C#N)c1CO 575646999 352876479 /nfs/dbraw/zinc/87/64/79/352876479.db2.gz HUBPXDIRHAPDQR-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(F)c(C(N)=O)cc1C#N 575646970 352876494 /nfs/dbraw/zinc/87/64/94/352876494.db2.gz HSHPCJXFGVKCDP-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(CO)cc(C#N)c1OC 575647237 352876496 /nfs/dbraw/zinc/87/64/96/352876496.db2.gz QMKBTPFZUHVPBS-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCOc1cc(O)c(C#N)cc1CO 575647072 352876514 /nfs/dbraw/zinc/87/65/14/352876514.db2.gz YDMNJHKCVHYUNW-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCc1cc(C#N)cc(C(N)=O)c1F 575647066 352876522 /nfs/dbraw/zinc/87/65/22/352876522.db2.gz IQJNAVSEMHWBJJ-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1ccc(F)c(C#N)c1C=O 575646987 352876526 /nfs/dbraw/zinc/87/65/26/352876526.db2.gz KTHBGVOTYNAQNU-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CCc1ccc(C#N)c(F)c1CO 575646903 352876534 /nfs/dbraw/zinc/87/65/34/352876534.db2.gz HMDAGTGFTHJUGH-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCOc1c(C#N)cc(O)cc1OC 575647176 352876538 /nfs/dbraw/zinc/87/65/38/352876538.db2.gz YXZBKKPBHFMDMQ-UHFFFAOYSA-N 0 0 193.202 1.671 10 0 ADAERN CCOc1cc(CO)cc(C#N)c1O 575647155 352876567 /nfs/dbraw/zinc/87/65/67/352876567.db2.gz YIUKTPWOFXVFBJ-UHFFFAOYSA-N 0 0 193.202 1.155 10 0 ADAERN CCc1cc(C#N)c(C)c(CO)c1 575647595 352877065 /nfs/dbraw/zinc/87/70/65/352877065.db2.gz MINKZTPSCWANJN-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN N#Cc1cc(F)cc(CO)c1[N+](=O)[O-] 575647573 352877004 /nfs/dbraw/zinc/87/70/04/352877004.db2.gz MDPVJJLYBIMRNB-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1cc(O)c(C#N)c(C=O)c1 575647303 352877009 /nfs/dbraw/zinc/87/70/09/352877009.db2.gz RSMIRSQAQJFNHB-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN COc1cc(C#N)c(F)cc1C=O 575647661 352877115 /nfs/dbraw/zinc/87/71/15/352877115.db2.gz LWUFYORQBAPKAI-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN Cc1cc(C#N)cc([N+](=O)[O-])c1C=O 575647627 352877026 /nfs/dbraw/zinc/87/70/26/352877026.db2.gz GXXDCRLLLHMDNM-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN COc1ccc(C#N)c(F)c1CO 575647559 352877033 /nfs/dbraw/zinc/87/70/33/352877033.db2.gz MCERKOYMBLGJPY-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN CCc1cc(C#N)c(C=O)c(CC#N)c1 575647324 352877041 /nfs/dbraw/zinc/87/70/41/352877041.db2.gz RZBOGLDWDMMWBG-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CCc1cc(C)c(C(N)=O)cc1C#N 575647427 352877043 /nfs/dbraw/zinc/87/70/43/352877043.db2.gz SDOUEJUFMJJMOG-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN N#Cc1c(F)cc([N+](=O)[O-])cc1CO 575647712 352877047 /nfs/dbraw/zinc/87/70/47/352877047.db2.gz NKCMAVXYHGSCSU-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1cc(O)cc(OC)c1C#N 575647362 352877049 /nfs/dbraw/zinc/87/70/49/352877049.db2.gz SJGIBVJSKUYAPL-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN COc1ccc(F)c(CO)c1C#N 575647683 352877052 /nfs/dbraw/zinc/87/70/52/352877052.db2.gz NCVMRNUHGMNFAC-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN N#Cc1c([N+](=O)[O-])ccc(CO)c1F 575647619 352877055 /nfs/dbraw/zinc/87/70/55/352877055.db2.gz MIRQRHZFQFYKBN-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN Cc1cc(F)c(C=O)c(C#N)c1 575647632 352877060 /nfs/dbraw/zinc/87/70/60/352877060.db2.gz MJBCDHAAEGLBKS-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN CCc1cc(C)c(C#N)cc1CO 575647572 352877062 /nfs/dbraw/zinc/87/70/62/352877062.db2.gz MGNXQKMNNZVJIL-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1cc(C=O)c(CO)cc1C#N 575647356 352877071 /nfs/dbraw/zinc/87/70/71/352877071.db2.gz HEYOCBFICSJXHI-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1c(C#N)cc(C=O)cc1CO 575647527 352877074 /nfs/dbraw/zinc/87/70/74/352877074.db2.gz ILQVCOJWYPROGJ-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1cc(C=O)c(OC)cc1C#N 575647282 352877084 /nfs/dbraw/zinc/87/70/84/352877084.db2.gz QUEACASMROXYEP-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN N#CCc1cc(C#N)c(F)cc1C=O 575647622 352877088 /nfs/dbraw/zinc/87/70/88/352877088.db2.gz LRUBRARVTUMPDM-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CCc1cc(C)c(C#N)c(C(N)=O)c1 575647278 352877142 /nfs/dbraw/zinc/87/71/42/352877142.db2.gz QTFPEGVHKBPYHU-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN Cc1cc([N+](=O)[O-])c(C#N)cc1C=O 575647534 352877093 /nfs/dbraw/zinc/87/70/93/352877093.db2.gz GLWIJKLUWJAHNQ-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1c(C#N)cc(O)cc1OC 575647440 352877099 /nfs/dbraw/zinc/87/70/99/352877099.db2.gz UDMAPTFSIQAWJJ-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN COc1cc(C(C)=O)cc(C#N)c1F 575647671 352877111 /nfs/dbraw/zinc/87/71/11/352877111.db2.gz LYSYWEJHJGSXJQ-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCc1cc(C#N)c(OC)c(C=O)c1 575647491 352877113 /nfs/dbraw/zinc/87/71/13/352877113.db2.gz SMEQLEMARIQRHA-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1cc(C#N)c(C=O)c(OC)c1 575647369 352877123 /nfs/dbraw/zinc/87/71/23/352877123.db2.gz RNQZCXNQNLTQDD-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCOc1cc(C#N)c(C)cc1CO 575647728 352877125 /nfs/dbraw/zinc/87/71/25/352877125.db2.gz LRWRCBAQESBFJM-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(C=O)cc(CO)c1C#N 575647470 352877129 /nfs/dbraw/zinc/87/71/29/352877129.db2.gz IFHKAMGBQANBRD-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1cc(C#N)c(CC#N)c(C=O)c1 575647346 352877131 /nfs/dbraw/zinc/87/71/31/352877131.db2.gz SGCWEWGJDLMDAX-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN Cc1cc(C=O)c(C#N)c([N+](=O)[O-])c1 575647425 352877158 /nfs/dbraw/zinc/87/71/58/352877158.db2.gz FWCCJRDATLXIPX-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1cc(C#N)c(OC)cc1CO 575647586 352877160 /nfs/dbraw/zinc/87/71/60/352877160.db2.gz TWAKRRYGKQZARL-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCc1c(O)cc(C#N)cc1OC 575647394 352877168 /nfs/dbraw/zinc/87/71/68/352877168.db2.gz SWODUQJNMVCXPY-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CC(=O)c1cc(C#N)cc(F)c1C=O 575647606 352877224 /nfs/dbraw/zinc/87/72/24/352877224.db2.gz LREKKUSFQNOCIN-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN N#Cc1ccc(CO)c([N+](=O)[O-])c1F 575647650 352877174 /nfs/dbraw/zinc/87/71/74/352877174.db2.gz MSFYTGAMLLAVME-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1c(O)cc(C=O)cc1C#N 575647272 352877179 /nfs/dbraw/zinc/87/71/79/352877179.db2.gz RHEVVMCWSNITFW-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN Cc1cc(C#N)c(F)c(C=O)c1 575647677 352877183 /nfs/dbraw/zinc/87/71/83/352877183.db2.gz MYOHDHICVGDFKP-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN CCc1cc(O)c(C#N)c(OC)c1 575647344 352877195 /nfs/dbraw/zinc/87/71/95/352877195.db2.gz SENSIAPDXFMTCA-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCc1cc(C#N)c(C(N)=O)cc1C 575647450 352877201 /nfs/dbraw/zinc/87/72/01/352877201.db2.gz SIOQXTVZJAOLQM-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCc1cc(C)c(CO)cc1C#N 575647709 352877212 /nfs/dbraw/zinc/87/72/12/352877212.db2.gz NAUQDPPJWQCCMA-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1c(C#N)ccc(C(N)=O)c1C 575647323 352877223 /nfs/dbraw/zinc/87/72/23/352877223.db2.gz RHAAFNGCNSGZHH-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN Cc1c(F)cc(C#N)cc1CO 575647695 352877238 /nfs/dbraw/zinc/87/72/38/352877238.db2.gz NFPRTXCXMRXDPI-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1cc(C=O)c(C#N)c(CO)c1 575647751 352877597 /nfs/dbraw/zinc/87/75/97/352877597.db2.gz JLOPELRUQORMLL-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN COc1c(C#N)ccc(C(C)=O)c1F 575648071 352877781 /nfs/dbraw/zinc/87/77/81/352877781.db2.gz OAECXWQELJHTMV-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN N#Cc1ccc(C=O)c(F)c1[N+](=O)[O-] 575648160 352877602 /nfs/dbraw/zinc/87/76/02/352877602.db2.gz QXCALEMHURDARP-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN Cc1c(C#N)cc(F)cc1C=O 575647998 352877611 /nfs/dbraw/zinc/87/76/11/352877611.db2.gz PYAORSJWGVCHOG-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN N#Cc1cc(C=O)c(F)cc1[N+](=O)[O-] 575648116 352877621 /nfs/dbraw/zinc/87/76/21/352877621.db2.gz QPIVWPKHFXEPOF-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN N#CCc1cc(C#N)c(C=O)cc1F 575647833 352877632 /nfs/dbraw/zinc/87/76/32/352877632.db2.gz MIAUFNLHYRLFRA-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN N#Cc1cc(F)c(CO)cc1[N+](=O)[O-] 575647773 352877638 /nfs/dbraw/zinc/87/76/38/352877638.db2.gz NNGVSZAZWWVGBV-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1cc(C)c(CO)c(C#N)c1 575647896 352877659 /nfs/dbraw/zinc/87/76/59/352877659.db2.gz OLBLEDCNTYCBLK-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN N#Cc1ccc(F)c([N+](=O)[O-])c1CO 575647776 352877677 /nfs/dbraw/zinc/87/76/77/352877677.db2.gz NOYHNOFEVMBPND-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1cc(C=O)c(C#N)cc1OC 575647767 352877682 /nfs/dbraw/zinc/87/76/82/352877682.db2.gz ULRZTQUTFJLTMA-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCOc1ccc(CO)c(C)c1C#N 575647867 352877687 /nfs/dbraw/zinc/87/76/87/352877687.db2.gz LZBZACSVJRWCQL-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN Cc1cc([N+](=O)[O-])cc(C=O)c1C#N 575647885 352877692 /nfs/dbraw/zinc/87/76/92/352877692.db2.gz IMCBZIXKJBQNRN-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1cc(OC)c(CO)cc1C#N 575647734 352877697 /nfs/dbraw/zinc/87/76/97/352877697.db2.gz UHEUBBIAJRCTBB-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN COc1cc(C(C)=O)cc(F)c1C#N 575647913 352877714 /nfs/dbraw/zinc/87/77/14/352877714.db2.gz MYJYCXWBFMNDGN-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN Cc1cc(C#N)cc(F)c1CO 575647808 352877725 /nfs/dbraw/zinc/87/77/25/352877725.db2.gz OEYJLYNXCRJJCH-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1cc(C#N)c(F)c(CO)c1 575648194 352877735 /nfs/dbraw/zinc/87/77/35/352877735.db2.gz MSBCYABJNADQTP-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN COc1cc(C)c(C=O)cc1C#N 575647813 352877742 /nfs/dbraw/zinc/87/77/42/352877742.db2.gz MQFVGOHGVCQXMJ-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN Cc1cc(C=O)cc(C#N)c1F 575647941 352877757 /nfs/dbraw/zinc/87/77/57/352877757.db2.gz PIJICBZUSOANRN-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN N#Cc1cc([N+](=O)[O-])cc(F)c1CO 575647787 352877760 /nfs/dbraw/zinc/87/77/60/352877760.db2.gz NTCDXBBATSPJKG-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN COc1cc(C(C)=O)c(F)cc1C#N 575647748 352877766 /nfs/dbraw/zinc/87/77/66/352877766.db2.gz MFIDPXPXMGQNNX-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1c(CO)ccc(F)c1C#N 575647754 352877771 /nfs/dbraw/zinc/87/77/71/352877771.db2.gz NLRNAYYEJJZGLE-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN CCc1c(C(N)=O)ccc(C#N)c1F 575648076 352877776 /nfs/dbraw/zinc/87/77/76/352877776.db2.gz MIZBMHUQCLAORJ-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1cc(C#N)cc([N+](=O)[O-])c1F 575647855 352877784 /nfs/dbraw/zinc/87/77/84/352877784.db2.gz OSIOFIOYVLMSRS-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN COc1c([N+](=O)[O-])ccc(F)c1C#N 575647822 352877788 /nfs/dbraw/zinc/87/77/88/352877788.db2.gz OKIRIOPTTOLOJE-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN Cc1cc(F)cc(C#N)c1C=O 575647921 352877801 /nfs/dbraw/zinc/87/78/01/352877801.db2.gz PHNWCNDTMYNCHB-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN N#Cc1cc(F)c([N+](=O)[O-])cc1CO 575647846 352877815 /nfs/dbraw/zinc/87/78/15/352877815.db2.gz OQALHKZQAWAHIV-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN COc1c(C#N)ccc(F)c1C(C)=O 575648202 352877821 /nfs/dbraw/zinc/87/78/21/352877821.db2.gz PBYREHWUIIZCGV-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN Cc1cc(C=O)c([N+](=O)[O-])cc1C#N 575647868 352877827 /nfs/dbraw/zinc/87/78/27/352877827.db2.gz IKWQBYIUQKXLJU-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN COc1cc(F)c(C#N)c(CO)c1 575648122 352877830 /nfs/dbraw/zinc/87/78/30/352877830.db2.gz QPQHCDYUMRNYKL-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1cc(C=O)c(C#N)cc1F 575647849 352877837 /nfs/dbraw/zinc/87/78/37/352877837.db2.gz MKIVBSLTGAWPTF-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN N#Cc1c([N+](=O)[O-])ccc(F)c1CO 575647821 352877846 /nfs/dbraw/zinc/87/78/46/352877846.db2.gz OJSXVXBIPPNYDJ-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN Cc1cc(F)c(CO)c(C#N)c1 575647853 352877848 /nfs/dbraw/zinc/87/78/48/352877848.db2.gz ORGDDZNBNNXQBN-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN Cc1c(C=O)cc(C#N)cc1[N+](=O)[O-] 575648029 352877851 /nfs/dbraw/zinc/87/78/51/352877851.db2.gz JJELVCGTORJMIY-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN COc1c(C(C)=O)ccc(C#N)c1F 575648128 352877866 /nfs/dbraw/zinc/87/78/66/352877866.db2.gz OMEGDUMGTCGINV-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1cc(CO)c(C#N)cc1C 575647916 352877872 /nfs/dbraw/zinc/87/78/72/352877872.db2.gz NEEHUPGNBBFXRV-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1cc(F)c(CO)cc1C#N 575647795 352877891 /nfs/dbraw/zinc/87/78/91/352877891.db2.gz OCFIVCNJTMXRIR-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1cc(CO)cc(C#N)c1F 575647989 352877894 /nfs/dbraw/zinc/87/78/94/352877894.db2.gz PNFLKLLSJYGUTH-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1cc(C#N)cc([N+](=O)[O-])c1C 575648209 352877897 /nfs/dbraw/zinc/87/78/97/352877897.db2.gz KQIHYXYSEJHPEV-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN COc1cc(F)c(CO)c(C#N)c1 575647986 352877908 /nfs/dbraw/zinc/87/79/08/352877908.db2.gz PMMCGQPKVFHPBM-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1cc(F)c(C#N)c(C(C)=O)c1 575647879 352877921 /nfs/dbraw/zinc/87/79/21/352877921.db2.gz MQFJUMBABJZNBI-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1c(C=O)ccc(C#N)c1F 575647909 352877928 /nfs/dbraw/zinc/87/79/28/352877928.db2.gz MWOPUOMLKOVUAL-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN N#Cc1cc(CO)cc([N+](=O)[O-])c1F 575647857 352877930 /nfs/dbraw/zinc/87/79/30/352877930.db2.gz OXADTNZUVXDJPI-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCOc1cc(C)c(C#N)c(CO)c1 575648195 352877934 /nfs/dbraw/zinc/87/79/34/352877934.db2.gz NYGQWPCCUPJRMZ-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN Cc1c(F)ccc(CO)c1C#N 575647991 352877954 /nfs/dbraw/zinc/87/79/54/352877954.db2.gz PUGRYBHAWKQUKF-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN COc1c(F)ccc(C#N)c1CO 575647815 352877961 /nfs/dbraw/zinc/87/79/61/352877961.db2.gz OHDOTNJSNTWBQK-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN N#Cc1cc(C=O)c([N+](=O)[O-])cc1F 575647887 352877965 /nfs/dbraw/zinc/87/79/65/352877965.db2.gz PFKLBYGBMVNDGG-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCc1cc(C(N)=O)cc(F)c1C#N 575648118 352877970 /nfs/dbraw/zinc/87/79/70/352877970.db2.gz MNKWEYOAIKPSCC-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN Cc1cc(CO)cc(C#N)c1F 575648176 352877971 /nfs/dbraw/zinc/87/79/71/352877971.db2.gz RAIVKNKMKYXUTF-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1cc(OC)cc(C#N)c1O 575648659 352878109 /nfs/dbraw/zinc/87/81/09/352878109.db2.gz XVQSRJLKUNUGBB-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN CCc1cc(C=O)c(C#N)c(CC#N)c1 575648697 352878115 /nfs/dbraw/zinc/87/81/15/352878115.db2.gz YSPLHEIKSSWFBW-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN COc1c(C#N)cc(C)cc1C=O 575648305 352878126 /nfs/dbraw/zinc/87/81/26/352878126.db2.gz OTUTZSBHOHGXBA-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1cc(C#N)cc(C=O)c1CC#N 575648554 352878139 /nfs/dbraw/zinc/87/81/39/352878139.db2.gz WBAOPSDMXYXUSC-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CC(=O)c1cc(C#N)c(C=O)cc1F 575648357 352878175 /nfs/dbraw/zinc/87/81/75/352878175.db2.gz PXERNAGJSIBFJK-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN COc1c(C)cc(C#N)cc1C=O 575648304 352878228 /nfs/dbraw/zinc/87/82/28/352878228.db2.gz OQRZMLXXHYZMDX-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1c(C#N)cc(OC)cc1CO 575648690 352878313 /nfs/dbraw/zinc/87/83/13/352878313.db2.gz XBIQJVXHXFZWGK-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCc1c(F)ccc(C(N)=O)c1C#N 575648219 352878242 /nfs/dbraw/zinc/87/82/42/352878242.db2.gz NAVSSESBPJDJHK-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1c(C#N)ccc(CO)c1F 575648451 352878267 /nfs/dbraw/zinc/87/82/67/352878267.db2.gz OLKXWJCHQOSBGX-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(OC)cc(C=O)c1C#N 575648721 352878282 /nfs/dbraw/zinc/87/82/82/352878282.db2.gz XGONYCVDEKUWJE-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1c(C#N)cc(O)cc1C=O 575648612 352878304 /nfs/dbraw/zinc/87/83/04/352878304.db2.gz XAACOQAORFYPBW-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN CCc1cc(C#N)c(CO)cc1F 575648362 352878309 /nfs/dbraw/zinc/87/83/09/352878309.db2.gz NUINTYYZFMPBPY-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(C)c(C(N)=O)c(C#N)c1 575648667 352878340 /nfs/dbraw/zinc/87/83/40/352878340.db2.gz WWEQUTISBYGIFI-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCc1cc(C#N)c(C)cc1C(N)=O 575648705 352878360 /nfs/dbraw/zinc/87/83/60/352878360.db2.gz XFXWMOBROPNRKT-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCc1c(C)cc(C#N)cc1C(N)=O 575648629 352878405 /nfs/dbraw/zinc/87/84/05/352878405.db2.gz WBKOUHDUWJVUKV-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN CCc1c(C#N)cc(F)cc1C(N)=O 575648397 352878422 /nfs/dbraw/zinc/87/84/22/352878422.db2.gz NZHUCQRMPZHSNX-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1c(F)cc(C#N)cc1CO 575648351 352878441 /nfs/dbraw/zinc/87/84/41/352878441.db2.gz NPWRJGIEHDDXLA-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN COc1ccc(C)c(CO)c1C#N 575648344 352878483 /nfs/dbraw/zinc/87/84/83/352878483.db2.gz PJBXQQIQHTUDJX-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN CCc1cc(C#N)cc(OC)c1CO 575648622 352878500 /nfs/dbraw/zinc/87/85/00/352878500.db2.gz VXOXMHLZJRLLGC-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCc1c(C#N)cc(CO)cc1OC 575648545 352878516 /nfs/dbraw/zinc/87/85/16/352878516.db2.gz UOQSPCNFTINFQQ-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCc1cc(CO)cc(C#N)c1F 575648453 352878540 /nfs/dbraw/zinc/87/85/40/352878540.db2.gz OMRJLEHLWJGPSW-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(F)c(C#N)c(C(N)=O)c1 575648359 352878549 /nfs/dbraw/zinc/87/85/49/352878549.db2.gz NRZFAAVWGWECLP-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(CO)c(F)cc1C#N 575648474 352878552 /nfs/dbraw/zinc/87/85/52/352878552.db2.gz OUFSEUPTBBKGHT-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(C=O)c(C#N)cc1CC#N 575648668 352878558 /nfs/dbraw/zinc/87/85/58/352878558.db2.gz YEHDPSXOTBXMTK-UHFFFAOYSA-N 0 0 198.225 1.999 10 0 ADAERN CCc1ccc(C=O)c(C#N)c1OC 575648648 352878562 /nfs/dbraw/zinc/87/85/62/352878562.db2.gz WLRZELCJDSGIOH-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1cc(O)c(OC)c(C#N)c1 575648656 352878571 /nfs/dbraw/zinc/87/85/71/352878571.db2.gz XTEOMGREKRSQEE-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN COc1cc(F)cc([N+](=O)[O-])c1C#N 575649091 352878878 /nfs/dbraw/zinc/87/88/78/352878878.db2.gz SAPNVGMCRPSFJR-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN CCc1cc(C#N)c(C(N)=O)cc1F 575649322 352878879 /nfs/dbraw/zinc/87/88/79/352878879.db2.gz QIDLFBQPSMEODK-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCOc1c(C#N)cc(C)cc1CO 575649092 352878871 /nfs/dbraw/zinc/87/88/71/352878871.db2.gz PJDXNFMEOLWXLX-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(C#N)cc(OC)c1C=O 575648878 352878872 /nfs/dbraw/zinc/87/88/72/352878872.db2.gz ZHJQFLVBGHNZCN-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN CCc1cc(C#N)c(C=O)cc1OC 575649050 352878875 /nfs/dbraw/zinc/87/88/75/352878875.db2.gz ZSFJRGFZMQWHLT-UHFFFAOYSA-N 0 0 189.214 1.942 10 0 ADAERN N#Cc1cc([N+](=O)[O-])c(CO)cc1F 575649013 352878892 /nfs/dbraw/zinc/87/88/92/352878892.db2.gz RRGLTHBHCOYNLL-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1cc(C#N)c(CO)cc1OC 575648790 352878896 /nfs/dbraw/zinc/87/88/96/352878896.db2.gz YETGXABKJIJHOT-UHFFFAOYSA-N 0 0 191.230 1.622 10 0 ADAERN CCc1c(C#N)cc(C)cc1CO 575649217 352878902 /nfs/dbraw/zinc/87/89/02/352878902.db2.gz UOWYLWLBQWPVNJ-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1cc(CO)c(C)cc1C#N 575648810 352878905 /nfs/dbraw/zinc/87/89/05/352878905.db2.gz QGZQHCCXJZIBTO-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN COc1cc(C#N)c(F)cc1[N+](=O)[O-] 575648943 352878907 /nfs/dbraw/zinc/87/89/07/352878907.db2.gz RFLOHIXWHPDSFG-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN COc1cc(F)c(C#N)c([N+](=O)[O-])c1 575649311 352878924 /nfs/dbraw/zinc/87/89/24/352878924.db2.gz ULRWPPYFCSJDGM-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN CCc1c(F)ccc(CO)c1C#N 575649201 352878932 /nfs/dbraw/zinc/87/89/32/352878932.db2.gz PVNNNXKOYGLZCO-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(C(N)=O)c(F)cc1C#N 575649039 352878936 /nfs/dbraw/zinc/87/89/36/352878936.db2.gz PBVCHMCPENWFAR-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1c(C#N)cc(F)cc1CO 575648997 352878938 /nfs/dbraw/zinc/87/89/38/352878938.db2.gz RMICHLGFJXOITO-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN CCOc1c(C)ccc(C#N)c1CO 575649035 352878939 /nfs/dbraw/zinc/87/89/39/352878939.db2.gz PFXLJWGUBNZJOH-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN N#Cc1cc([N+](=O)[O-])c(F)cc1C=O 575649262 352878945 /nfs/dbraw/zinc/87/89/45/352878945.db2.gz UCPKTJLKRJMWLB-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN COc1cc(C)cc(C#N)c1CO 575649277 352878950 /nfs/dbraw/zinc/87/89/50/352878950.db2.gz QWEWXMNZQWRBNI-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN Cc1cc(C=O)c(F)cc1C#N 575649204 352878969 /nfs/dbraw/zinc/87/89/69/352878969.db2.gz SUHAOHASZQUBAI-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN N#Cc1cc([N+](=O)[O-])cc(C=O)c1F 575649011 352878979 /nfs/dbraw/zinc/87/89/79/352878979.db2.gz RQODZWVGBAOEIH-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCc1cc(C#N)cc(O)c1OC 575648768 352878980 /nfs/dbraw/zinc/87/89/80/352878980.db2.gz ZQOLDYBNHJMVNC-UHFFFAOYSA-N 0 0 177.203 1.835 10 0 ADAERN N#Cc1c(F)cc(CO)cc1[N+](=O)[O-] 575649083 352878989 /nfs/dbraw/zinc/87/89/89/352878989.db2.gz RZWCFRQASBDZQQ-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN COc1c(C)cc(C#N)cc1CO 575649260 352879025 /nfs/dbraw/zinc/87/90/25/352879025.db2.gz QQEDSRDLAGPUKB-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN N#Cc1c(CO)ccc([N+](=O)[O-])c1F 575649098 352879027 /nfs/dbraw/zinc/87/90/27/352879027.db2.gz SCXPOEKIUNETHQ-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN N#Cc1cc([N+](=O)[O-])c(F)cc1CO 575649253 352879034 /nfs/dbraw/zinc/87/90/34/352879034.db2.gz UCJZGXPBAUASJE-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CCc1cc(C#N)c(CO)cc1C=O 575648860 352879038 /nfs/dbraw/zinc/87/90/38/352879038.db2.gz LTOCQKXSPKFTRF-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CC(=O)c1cc(F)cc(C#N)c1O 575649257 352879044 /nfs/dbraw/zinc/87/90/44/352879044.db2.gz QCPMCIWBWPBASS-UHFFFAOYSA-N 0 0 179.150 1.606 10 0 ADAERN CCc1c(C#N)ccc(F)c1CO 575649299 352879049 /nfs/dbraw/zinc/87/90/49/352879049.db2.gz QHOIKESYUNIDJJ-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(C#N)cc(O)c1C=O 575648776 352879057 /nfs/dbraw/zinc/87/90/57/352879057.db2.gz ZRPOIVZGWUTYDK-UHFFFAOYSA-N 0 0 175.187 1.639 10 0 ADAERN CCc1cc(CO)cc(C#N)c1C=O 575648777 352879068 /nfs/dbraw/zinc/87/90/68/352879068.db2.gz KUFKRAJRALEFRU-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1cc(F)cc(C#N)c1C(N)=O 575649048 352879076 /nfs/dbraw/zinc/87/90/76/352879076.db2.gz PBYUAEABAJOUHN-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(C#N)cc(CO)c1C 575648902 352879080 /nfs/dbraw/zinc/87/90/80/352879080.db2.gz QZHCGPXYMGPEBY-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1c(C)cc(C(N)=O)cc1C#N 575648761 352879095 /nfs/dbraw/zinc/87/90/95/352879095.db2.gz XXDRFAIUUDKWOQ-UHFFFAOYSA-N 0 0 188.230 1.528 10 0 ADAERN COc1c(F)ccc([N+](=O)[O-])c1C#N 575649118 352879100 /nfs/dbraw/zinc/87/91/00/352879100.db2.gz SHOBVWJLAMPVTN-UHFFFAOYSA-N 0 0 196.137 1.614 10 0 ADAERN CCc1cc(C)cc(C#N)c1CO 575649245 352879104 /nfs/dbraw/zinc/87/91/04/352879104.db2.gz URWAARUSDCGYKH-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCc1cc(F)c(CO)c(C#N)c1 575649195 352879112 /nfs/dbraw/zinc/87/91/12/352879112.db2.gz PUTQHNZUIQQLBD-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN Cc1ccc(F)c(C#N)c1CO 575649222 352879117 /nfs/dbraw/zinc/87/91/17/352879117.db2.gz SWRBXBAJAXMFHJ-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN CCc1ccc(CO)c(F)c1C#N 575649366 352879593 /nfs/dbraw/zinc/87/95/93/352879593.db2.gz QQYMCPGXBBYMBC-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN COc1c(F)cc(C#N)cc1CO 575649627 352879525 /nfs/dbraw/zinc/87/95/25/352879525.db2.gz WJIBIJLGDVIFRT-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN Cc1cc(C#N)c(CO)cc1F 575649462 352879549 /nfs/dbraw/zinc/87/95/49/352879549.db2.gz VENORPJYRQIZIN-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN COc1cc(C=O)c(C#N)cc1C 575649603 352879553 /nfs/dbraw/zinc/87/95/53/352879553.db2.gz SMNUFIZIEBJTPJ-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1ccc(C#N)c(C(N)=O)c1F 575649708 352879556 /nfs/dbraw/zinc/87/95/56/352879556.db2.gz SNDDPKUREOSQRY-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN Cc1cc(F)c(C#N)c(C=O)c1 575649589 352879561 /nfs/dbraw/zinc/87/95/61/352879561.db2.gz VZXWGHUBKGSLQB-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN CCc1cc(F)c(C(N)=O)c(C#N)c1 575649757 352879564 /nfs/dbraw/zinc/87/95/64/352879564.db2.gz SYEJLCVMIRQZDC-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1cc(C)cc(CO)c1C#N 575649607 352879569 /nfs/dbraw/zinc/87/95/69/352879569.db2.gz SMYRXUQZHSVHMD-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN N#Cc1c(F)ccc([N+](=O)[O-])c1C=O 575649553 352879573 /nfs/dbraw/zinc/87/95/73/352879573.db2.gz VVDORALBEHNSMW-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCc1cc(C#N)cc(CO)c1F 575649370 352879584 /nfs/dbraw/zinc/87/95/84/352879584.db2.gz QUBHDGKHDLPTOH-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN N#Cc1ccc(F)c(C=O)c1[N+](=O)[O-] 575649387 352879589 /nfs/dbraw/zinc/87/95/89/352879589.db2.gz UWEOZMFBORLLIW-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CCc1cc(C#N)c(F)c(C(N)=O)c1 575649563 352879605 /nfs/dbraw/zinc/87/96/05/352879605.db2.gz RSUIUSQDWFHASI-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN N#Cc1c([N+](=O)[O-])ccc(F)c1C=O 575649521 352879610 /nfs/dbraw/zinc/87/96/10/352879610.db2.gz VOTQBVIETXPPSL-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN N#Cc1c(F)ccc(CO)c1[N+](=O)[O-] 575649681 352879613 /nfs/dbraw/zinc/87/96/13/352879613.db2.gz WRDXGZOPSQHMFG-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN CC(=O)c1cc(F)c(C#N)cc1C=O 575649744 352879623 /nfs/dbraw/zinc/87/96/23/352879623.db2.gz SUJIRUOABARBLH-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN COc1cc(C#N)cc(CO)c1C 575649511 352879629 /nfs/dbraw/zinc/87/96/29/352879629.db2.gz SAAFFBXJWMSMST-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN CCc1cc(F)c(CO)cc1C#N 575649391 352879631 /nfs/dbraw/zinc/87/96/31/352879631.db2.gz QWBJSZLSKNTFQC-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN COc1cc(C=O)cc(C#N)c1F 575649753 352879636 /nfs/dbraw/zinc/87/96/36/352879636.db2.gz SVXREBKBNDIDIL-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN N#Cc1c(C=O)ccc([N+](=O)[O-])c1F 575649613 352879642 /nfs/dbraw/zinc/87/96/42/352879642.db2.gz WEQOQEOCUXWVLD-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN N#Cc1cc(F)cc(C=O)c1[N+](=O)[O-] 575649528 352879651 /nfs/dbraw/zinc/87/96/51/352879651.db2.gz VPEDTWOAOUYMIH-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN COc1ccc(C)c(C#N)c1C=O 575649653 352879661 /nfs/dbraw/zinc/87/96/61/352879661.db2.gz SWTFKWCHDMABHV-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1c(C#N)cc(F)cc1CO 575649530 352879673 /nfs/dbraw/zinc/87/96/73/352879673.db2.gz RQTNEGYTKBZLDP-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCOc1cc(C)c(CO)cc1C#N 575649743 352879685 /nfs/dbraw/zinc/87/96/85/352879685.db2.gz SKHLOPHUPVWBAJ-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN COc1ccc(C=O)c(C#N)c1C 575649381 352879709 /nfs/dbraw/zinc/87/97/09/352879709.db2.gz RIFQLDXXOMPDFQ-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1c(F)cc(CO)cc1C#N 575649625 352879713 /nfs/dbraw/zinc/87/97/13/352879713.db2.gz SDGUWQJSBBUIDN-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN N#Cc1cc([N+](=O)[O-])c(C=O)cc1F 575649492 352879720 /nfs/dbraw/zinc/87/97/20/352879720.db2.gz VJLBWPKFFHUWOF-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN N#Cc1cc(F)c([N+](=O)[O-])c(C=O)c1 575649679 352879722 /nfs/dbraw/zinc/87/97/22/352879722.db2.gz WPIVNENJEUUJNZ-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN COc1c(C#N)ccc(CO)c1C 575649639 352879724 /nfs/dbraw/zinc/87/97/24/352879724.db2.gz STXCOHUUDHQQAO-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1cc(C#N)c(C)cc1CO 575649446 352879733 /nfs/dbraw/zinc/87/97/33/352879733.db2.gz RPOCFTCLAUJAPZ-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1ccc(F)c(C#N)c1C(C)=O 575649649 352879753 /nfs/dbraw/zinc/87/97/53/352879753.db2.gz RRDGMUIHDPIICR-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN N#Cc1ccc(F)c([N+](=O)[O-])c1C=O 575649587 352879760 /nfs/dbraw/zinc/87/97/60/352879760.db2.gz VZSSAOCFYTXQNH-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN COc1cc(C#N)c(CO)cc1F 575649406 352879768 /nfs/dbraw/zinc/87/97/68/352879768.db2.gz UXIMARQOHXESGP-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1cc(C#N)c(F)cc1C(C)=O 575649618 352879769 /nfs/dbraw/zinc/87/97/69/352879769.db2.gz RQVYLRXGPLOPBQ-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1c(C)ccc(C#N)c1CO 575649478 352879771 /nfs/dbraw/zinc/87/97/71/352879771.db2.gz RSSFTJYPQPUKMU-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1cc(C)cc(C#N)c1[N+](=O)[O-] 575649497 352879774 /nfs/dbraw/zinc/87/97/74/352879774.db2.gz NRJHDICWVIEKJC-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN CCc1ccc(F)c(C(N)=O)c1C#N 575649378 352879781 /nfs/dbraw/zinc/87/97/81/352879781.db2.gz QUNVQBVCKHBLAU-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN Cc1c(F)ccc(C#N)c1CO 575649465 352879783 /nfs/dbraw/zinc/87/97/83/352879783.db2.gz VEOYQEWGKBFOJO-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN COc1cc(C)cc([N+](=O)[O-])c1C#N 575649654 352879793 /nfs/dbraw/zinc/87/97/93/352879793.db2.gz OOMQIXLGVKXRPF-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN Cc1ccc(CO)c(F)c1C#N 575650135 352880060 /nfs/dbraw/zinc/88/00/60/352880060.db2.gz ZSQROXIXVAMFSZ-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN Cc1cc(F)cc(CO)c1C#N 575649969 352880071 /nfs/dbraw/zinc/88/00/71/352880071.db2.gz XPAGKMOCDKGXGB-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN N#Cc1ccc(CO)c(F)c1[N+](=O)[O-] 575650025 352880138 /nfs/dbraw/zinc/88/01/38/352880138.db2.gz YMBVSQSRMOGFBX-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN COc1c(CO)ccc(C#N)c1F 575650143 352880141 /nfs/dbraw/zinc/88/01/41/352880141.db2.gz ZUDARUPVWVODFE-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN COc1cc(C#N)cc(CO)c1F 575650108 352880146 /nfs/dbraw/zinc/88/01/46/352880146.db2.gz ZQIFTULCHUCFKZ-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN N#CCc1cc(F)c(C=O)c(C#N)c1 575649886 352880152 /nfs/dbraw/zinc/88/01/52/352880152.db2.gz VEFLFWRSPHXRQD-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN N#Cc1ccc([N+](=O)[O-])c(F)c1CO 575650165 352880156 /nfs/dbraw/zinc/88/01/56/352880156.db2.gz ZVPXSQMFCSLPSI-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN N#Cc1c(F)ccc(C=O)c1[N+](=O)[O-] 575649963 352880161 /nfs/dbraw/zinc/88/01/61/352880161.db2.gz XGIJCNQGBBDBPZ-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN CC(=O)c1cc(C=O)cc(C#N)c1F 575649839 352880171 /nfs/dbraw/zinc/88/01/71/352880171.db2.gz 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/nfs/dbraw/zinc/88/02/34/352880234.db2.gz VQGVEWFRKFAJHJ-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN N#Cc1cc(C=O)cc(F)c1[N+](=O)[O-] 575650099 352880247 /nfs/dbraw/zinc/88/02/47/352880247.db2.gz ZPLCCZPWZVEGKC-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN Cc1cc(C#N)cc(C=O)c1F 575650093 352880265 /nfs/dbraw/zinc/88/02/65/352880265.db2.gz ZLAQFWTYQCSDPL-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN N#CCc1cc(C#N)cc(C=O)c1F 575649793 352880269 /nfs/dbraw/zinc/88/02/69/352880269.db2.gz TXXIIFUJURMHGC-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CCc1cc(C#N)c(F)cc1CO 575650169 352880279 /nfs/dbraw/zinc/88/02/79/352880279.db2.gz UIXAMUOXUPEFFD-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN N#Cc1cc([N+](=O)[O-])cc(CO)c1F 575650063 352880287 /nfs/dbraw/zinc/88/02/87/352880287.db2.gz YZBJFQGFSHJQNY-UHFFFAOYSA-N 0 0 196.137 1.098 10 0 ADAERN COc1ccc(CO)c(C#N)c1F 575650088 352880290 /nfs/dbraw/zinc/88/02/90/352880290.db2.gz ZIBRYENAPQSRQH-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN Cc1cc(F)c(C#N)c(CO)c1 575650003 352880294 /nfs/dbraw/zinc/88/02/94/352880294.db2.gz YGWSAPXVFWHUKM-UHFFFAOYSA-N 0 0 165.167 1.498 10 0 ADAERN N#Cc1c(F)cc([N+](=O)[O-])cc1C=O 575650097 352880301 /nfs/dbraw/zinc/88/03/01/352880301.db2.gz ZNYFKYSPUQYAGU-UHFFFAOYSA-N 0 0 194.121 1.418 10 0 ADAERN N#CCc1cc(C=O)c(F)cc1C#N 575649830 352880315 /nfs/dbraw/zinc/88/03/15/352880315.db2.gz URGFCEBQWCJAJQ-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN COc1cc(C#N)cc(F)c1CO 575650111 352880319 /nfs/dbraw/zinc/88/03/19/352880319.db2.gz ZQXNCCFGHZKDII-UHFFFAOYSA-N 0 0 181.166 1.198 10 0 ADAERN Cc1c(F)cc(C#N)cc1C=O 575650029 352880324 /nfs/dbraw/zinc/88/03/24/352880324.db2.gz YPWIGTAKZUAJBQ-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN COc1cc(C)c(C#N)c([N+](=O)[O-])c1 575649832 352880332 /nfs/dbraw/zinc/88/03/32/352880332.db2.gz QBLBCKWLQRBGDL-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN CCc1cc(CO)c(C=O)cc1C#N 575649988 352880339 /nfs/dbraw/zinc/88/03/39/352880339.db2.gz QCBAHLZHQSKLFR-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN Cc1c(C=O)ccc(C#N)c1F 575650059 352880341 /nfs/dbraw/zinc/88/03/41/352880341.db2.gz YWHCIXUMUUXJRN-UHFFFAOYSA-N 0 0 163.151 1.818 10 0 ADAERN CCc1c(F)ccc(C#N)c1CO 575649801 352880345 /nfs/dbraw/zinc/88/03/45/352880345.db2.gz TYEHUUKMSKGNON-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN COc1ccc(C#N)c(C)c1C=O 575649807 352880347 /nfs/dbraw/zinc/88/03/47/352880347.db2.gz UORIBQKBNOPFLB-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CCc1ccc(F)c(CO)c1C#N 575649769 352880354 /nfs/dbraw/zinc/88/03/54/352880354.db2.gz SZVFDTRMAYADKU-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN COc1c(F)ccc(C=O)c1C#N 575649936 352880357 /nfs/dbraw/zinc/88/03/57/352880357.db2.gz VTMDEANTNRDNSJ-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN COc1cc(C#N)c(F)c(C(C)=O)c1 575649892 352880361 /nfs/dbraw/zinc/88/03/61/352880361.db2.gz VGAUUMHITSEPOS-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN COc1ccc(CO)c(C#N)c1C 575649831 352880371 /nfs/dbraw/zinc/88/03/71/352880371.db2.gz UWYQQEXFBIIRHP-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN 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1.752 10 0 ADAERN COc1cc(C#N)cc(C=O)c1F 575650623 352880731 /nfs/dbraw/zinc/88/07/31/352880731.db2.gz ZENLENUFCIQUPG-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN CCc1cc(F)cc(C(N)=O)c1C#N 575650337 352880736 /nfs/dbraw/zinc/88/07/36/352880736.db2.gz WBYJNQDJMYDZRP-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN Cc1cc(C#N)c([N+](=O)[O-])cc1C=O 575650625 352880743 /nfs/dbraw/zinc/88/07/43/352880743.db2.gz RPTCDRAPHTXWEB-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN N#CCc1cc(F)c(C#N)cc1C=O 575650399 352880748 /nfs/dbraw/zinc/88/07/48/352880748.db2.gz XSARPJFAQXKMBN-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CCc1cc(CO)cc(C#N)c1C 575650598 352880753 /nfs/dbraw/zinc/88/07/53/352880753.db2.gz ZMGZTKCHSMVDJR-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN COc1cc(F)c(C#N)cc1C=O 575650482 352880773 /nfs/dbraw/zinc/88/07/73/352880773.db2.gz YVEHZXAXYNZWBE-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN COc1cc(CO)c(C)cc1C#N 575650668 352880783 /nfs/dbraw/zinc/88/07/83/352880783.db2.gz YLXCJSQVJKPCCD-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1c(C#N)cc(F)cc1C(C)=O 575650458 352880788 /nfs/dbraw/zinc/88/07/88/352880788.db2.gz YOHIGYMDHZESTR-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1c(CO)ccc(C#N)c1C 575650415 352880793 /nfs/dbraw/zinc/88/07/93/352880793.db2.gz UUMMNGAHXZATAR-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(F)c(C#N)cc1C(N)=O 575650303 352880824 /nfs/dbraw/zinc/88/08/24/352880824.db2.gz VLKVZQALPQBKRD-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN CCc1cc(C)cc(CO)c1C#N 575650567 352880835 /nfs/dbraw/zinc/88/08/35/352880835.db2.gz ZDPFBIFYQUOQQS-UHFFFAOYSA-N 0 0 175.231 1.921 10 0 ADAERN CCOc1c(C)cc(C#N)cc1CO 575650356 352880852 /nfs/dbraw/zinc/88/08/52/352880852.db2.gz UKZXNMGGAVWWKK-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN N#CCc1cc(F)cc(C=O)c1C#N 575650515 352880885 /nfs/dbraw/zinc/88/08/85/352880885.db2.gz YZCXJJWMWBBDLD-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN N#CCc1cc(C=O)cc(F)c1C#N 575650277 352880899 /nfs/dbraw/zinc/88/08/99/352880899.db2.gz WNHZYQMCZAICOC-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CC(=O)c1cc(C#N)c(F)cc1C=O 575650323 352880914 /nfs/dbraw/zinc/88/09/14/352880914.db2.gz XCKOVOHDPCHESK-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN N#CCc1cc(F)c(C=O)cc1C#N 575650387 352880932 /nfs/dbraw/zinc/88/09/32/352880932.db2.gz XRHMBMOAFGYSGO-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN COc1cc(F)cc(C#N)c1C(C)=O 575650280 352880939 /nfs/dbraw/zinc/88/09/39/352880939.db2.gz WRANSOOZIFOBLP-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN Cc1c(C#N)cc(C=O)cc1[N+](=O)[O-] 575650650 352880946 /nfs/dbraw/zinc/88/09/46/352880946.db2.gz RUZNLJAJKOAZSP-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1cc(CO)c(C#N)cc1F 575650383 352880970 /nfs/dbraw/zinc/88/09/70/352880970.db2.gz WHGXYPSQTSDUNQ-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1ccc(C(N)=O)c(C#N)c1F 575650396 352880978 /nfs/dbraw/zinc/88/09/78/352880978.db2.gz WIFHQIINXMAVGO-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1cc(F)c(C=O)c(C#N)c1 575650485 352880991 /nfs/dbraw/zinc/88/09/91/352880991.db2.gz YVKWVDWNMAUAHX-UHFFFAOYSA-N 0 0 179.150 1.518 10 0 ADAERN COc1cc(C)c(C=O)c(C#N)c1 575650384 352881023 /nfs/dbraw/zinc/88/10/23/352881023.db2.gz WRBUZYIQMUAGGT-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1cc(C#N)cc(C=O)c1C 575650449 352881045 /nfs/dbraw/zinc/88/10/45/352881045.db2.gz XAWGWRWRNFYHIP-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1cc(F)c(C(C)=O)c(C#N)c1 575650346 352881063 /nfs/dbraw/zinc/88/10/63/352881063.db2.gz XIOFQYYFEGDMDE-UHFFFAOYSA-N 0 0 193.177 1.909 10 0 ADAERN CCOc1cc(C)cc(C#N)c1CO 575650659 352881067 /nfs/dbraw/zinc/88/10/67/352881067.db2.gz WEKSVZIQZFBQCG-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(C#N)cc(F)c1CO 575650631 352881072 /nfs/dbraw/zinc/88/10/72/352881072.db2.gz XYFWJPRVELDYSW-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(C(N)=O)c(C#N)cc1F 575650333 352881081 /nfs/dbraw/zinc/88/10/81/352881081.db2.gz WASJYOXHIIBUTJ-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN COc1c(CO)ccc(C#N)c1C 575650376 352881091 /nfs/dbraw/zinc/88/10/91/352881091.db2.gz WOUSTRHWJBFNJL-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1ccc(C)c(C=O)c1C#N 575650446 352881104 /nfs/dbraw/zinc/88/11/04/352881104.db2.gz WZYPOGHCTVVTFQ-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN CC(=O)c1cc(C=O)c(C#N)cc1F 575650274 352881117 /nfs/dbraw/zinc/88/11/17/352881117.db2.gz WMCCCRBFEFQRSS-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN N#CCc1c(C#N)cc(F)cc1C=O 575650675 352881142 /nfs/dbraw/zinc/88/11/42/352881142.db2.gz ZPFKBTLLTAKEGL-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CC(=O)c1ccc(C#N)c(F)c1C=O 575650500 352881132 /nfs/dbraw/zinc/88/11/32/352881132.db2.gz YXUQSLKTXDGLBC-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN COc1cc(C=O)cc(C)c1C#N 575650371 352881137 /nfs/dbraw/zinc/88/11/37/352881137.db2.gz WNLVENWFXVAXCQ-UHFFFAOYSA-N 0 0 175.187 1.688 10 0 ADAERN COc1cc(C)c(C#N)cc1[N+](=O)[O-] 575650630 352881176 /nfs/dbraw/zinc/88/11/76/352881176.db2.gz RQAWMRQQAIEHLN-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN CCc1c(C#N)ccc(C=O)c1CO 575650214 352881191 /nfs/dbraw/zinc/88/11/91/352881191.db2.gz TWFOGVNFWNPTEY-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN COc1cc(C#N)cc(C)c1CO 575650389 352881198 /nfs/dbraw/zinc/88/11/98/352881198.db2.gz WSCDBGQDUMGZGB-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN N#CCc1cc(C=O)c(C#N)cc1F 575650582 352881208 /nfs/dbraw/zinc/88/12/08/352881208.db2.gz ZCXABRWGAYKGEN-UHFFFAOYSA-N 0 0 188.161 1.576 10 0 ADAERN CC(=O)c1cc(F)c(C#N)cc1O 575650657 352881211 /nfs/dbraw/zinc/88/12/11/352881211.db2.gz ZMYFGMWSWNYBOQ-UHFFFAOYSA-N 0 0 179.150 1.606 10 0 ADAERN COc1cc(C)c(C#N)cc1CO 575650812 352881440 /nfs/dbraw/zinc/88/14/40/352881440.db2.gz ZXXWLTQGLBBTPF-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN Cc1cc(C#N)c(C=O)cc1[N+](=O)[O-] 575651207 352881458 /nfs/dbraw/zinc/88/14/58/352881458.db2.gz WGMRYRPFIVSYLG-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1cc(C#N)cc(CO)c1C=O 575651053 352881486 /nfs/dbraw/zinc/88/14/86/352881486.db2.gz VCIKUZQSBCBULJ-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCOc1c(C#N)ccc(C)c1CO 575651022 352881496 /nfs/dbraw/zinc/88/14/96/352881496.db2.gz YXYGOIZYVSRWDJ-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(F)c(C#N)cc1CO 575650716 352881541 /nfs/dbraw/zinc/88/15/41/352881541.db2.gz XZXQRSYJLBAHSZ-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN Cc1cc(C#N)cc(C=O)c1[N+](=O)[O-] 575651249 352881558 /nfs/dbraw/zinc/88/15/58/352881558.db2.gz WZWGBKIGQBJYLY-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1cc(C#N)c(C=O)cc1CO 575651097 352881563 /nfs/dbraw/zinc/88/15/63/352881563.db2.gz VYRKNWUWCGHAOO-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1cc(C=O)c(C#N)cc1CO 575651070 352881606 /nfs/dbraw/zinc/88/16/06/352881606.db2.gz VEIYFAXUZIATNF-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1c(C#N)cc(CO)cc1C=O 575651088 352881627 /nfs/dbraw/zinc/88/16/27/352881627.db2.gz VRNQNFGDIWBZOT-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1cc(C#N)c(C=O)c(CO)c1 575651006 352881634 /nfs/dbraw/zinc/88/16/34/352881634.db2.gz UMTUEGCNTFEXLG-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN Cc1cc(C=O)cc(C#N)c1[N+](=O)[O-] 575650786 352881664 /nfs/dbraw/zinc/88/16/64/352881664.db2.gz SNSGGLKTOBARTH-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN Cc1cc(C#N)c(C=O)c([N+](=O)[O-])c1 575651194 352881671 /nfs/dbraw/zinc/88/16/71/352881671.db2.gz WDBDFCJGDORBSI-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN COc1cc(C)c([N+](=O)[O-])cc1C#N 575650909 352881685 /nfs/dbraw/zinc/88/16/85/352881685.db2.gz UWQPJONIVOBUPU-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN Cc1c(C#N)cc([N+](=O)[O-])cc1C=O 575650881 352881695 /nfs/dbraw/zinc/88/16/95/352881695.db2.gz UNWPLAALAAZYEG-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN Cc1c(C#N)ccc(C=O)c1[N+](=O)[O-] 575650935 352881709 /nfs/dbraw/zinc/88/17/09/352881709.db2.gz VSPJTLKHVPVIBU-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1c(C=O)cc(C#N)cc1CO 575651124 352881718 /nfs/dbraw/zinc/88/17/18/352881718.db2.gz XFSHCSZMRATJPL-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN COc1cc([N+](=O)[O-])cc(C)c1C#N 575650802 352881736 /nfs/dbraw/zinc/88/17/36/352881736.db2.gz SUIDYNJNFXWOEV-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN CCOc1ccc(C)c(C#N)c1CO 575650856 352881742 /nfs/dbraw/zinc/88/17/42/352881742.db2.gz YIWKKPRLZNCUTG-UHFFFAOYSA-N 0 0 191.230 1.758 10 0 ADAERN CCc1cc(CO)cc(C=O)c1C#N 575651025 352881778 /nfs/dbraw/zinc/88/17/78/352881778.db2.gz UPYJHIHAAGUTIB-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN COc1ccc(C)c(C#N)c1CO 575650769 352881816 /nfs/dbraw/zinc/88/18/16/352881816.db2.gz ZKLYBHGZFYIZMX-UHFFFAOYSA-N 0 0 177.203 1.368 10 0 ADAERN COc1cc([N+](=O)[O-])cc(C#N)c1C 575651338 352881832 /nfs/dbraw/zinc/88/18/32/352881832.db2.gz YNZRANQAIOCZIE-UHFFFAOYSA-N 0 0 192.174 1.784 10 0 ADAERN CC(=O)c1cc(F)c(C=O)c(C#N)c1 575650718 352881865 /nfs/dbraw/zinc/88/18/65/352881865.db2.gz ZVHLHLYWWUWBBZ-UHFFFAOYSA-N 0 0 191.161 1.712 10 0 ADAERN CCc1cc(C#N)cc(C=O)c1CO 575651113 352881880 /nfs/dbraw/zinc/88/18/80/352881880.db2.gz WOEAFMKUDKACCF-UHFFFAOYSA-N 0 0 189.214 1.425 10 0 ADAERN CCc1cc(C#N)cc(F)c1C(N)=O 575650819 352881895 /nfs/dbraw/zinc/88/18/95/352881895.db2.gz YLFSKINVWLJURZ-UHFFFAOYSA-N 0 0 192.193 1.359 10 0 ADAERN Cc1cc(C=O)cc([N+](=O)[O-])c1C#N 575651347 352881913 /nfs/dbraw/zinc/88/19/13/352881913.db2.gz ZAPUFUFMLGREEC-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN CCc1c(CO)ccc(C#N)c1F 575650748 352881958 /nfs/dbraw/zinc/88/19/58/352881958.db2.gz YHZJHULZHKDOFQ-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN CCc1cc(F)c(C#N)c(CO)c1 575650991 352881979 /nfs/dbraw/zinc/88/19/79/352881979.db2.gz ZXSFJZIXIASJLK-UHFFFAOYSA-N 0 0 179.194 1.752 10 0 ADAERN Cc1cc([N+](=O)[O-])cc(C#N)c1C=O 575651221 352882002 /nfs/dbraw/zinc/88/20/02/352882002.db2.gz WLQKYBYSRJDMSI-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN Cc1cc(C=O)c(C#N)cc1[N+](=O)[O-] 575650933 352882022 /nfs/dbraw/zinc/88/20/22/352882022.db2.gz VRXBANIMMMBEGO-UHFFFAOYSA-N 0 0 190.158 1.587 10 0 ADAERN COc1cc(C)c(OC)c(C(N)=O)c1 575672750 352886179 /nfs/dbraw/zinc/88/61/79/352886179.db2.gz LRENLBXWXJFJEG-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN COc1ccc(OC)c(C(N)=O)c1C 575672673 352886238 /nfs/dbraw/zinc/88/62/38/352886238.db2.gz GNFUWJAAUJVUTQ-UHFFFAOYSA-N 0 0 195.218 1.111 10 0 ADAERN CCOc1c(C)ccc(F)c1C(N)=O 575694652 352886693 /nfs/dbraw/zinc/88/66/93/352886693.db2.gz ALODQDYIBCJVKT-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCc1cc(C)c(C(N)=O)cc1C 575694966 352886777 /nfs/dbraw/zinc/88/67/77/352886777.db2.gz CUBYEHUHMKZGMG-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCOc1c(O)cc(OC)cc1OC 575694650 352886795 /nfs/dbraw/zinc/88/67/95/352886795.db2.gz ALVZPTASTUYUCL-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCc1cc(F)c(C(N)=O)cc1F 575695008 352886804 /nfs/dbraw/zinc/88/68/04/352886804.db2.gz LBNDCQLBHKMXRW-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCOc1cc(F)c(F)c(CO)c1 575694997 352886823 /nfs/dbraw/zinc/88/68/23/352886823.db2.gz KWNQXGUZLNFHEU-UHFFFAOYSA-N 0 0 188.173 1.856 10 0 ADAERN CCc1cc(F)cc(C(N)=O)c1F 575694369 352886888 /nfs/dbraw/zinc/88/68/88/352886888.db2.gz GOVUECXUJDHLEL-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCOc1cc(F)cc(F)c1CO 575694363 352886894 /nfs/dbraw/zinc/88/68/94/352886894.db2.gz GARGVCLVPOENGR-UHFFFAOYSA-N 0 0 188.173 1.856 10 0 ADAERN CCOc1c(O)ccc(F)c1C(N)=O 575694552 352886936 /nfs/dbraw/zinc/88/69/36/352886936.db2.gz FIPJNNJOFANPOF-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1cc(O)c(C(N)=O)cc1F 575694494 352886970 /nfs/dbraw/zinc/88/69/70/352886970.db2.gz DEXICXQTEYRIPC-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1ccc(F)c(F)c1CO 575694002 352886974 /nfs/dbraw/zinc/88/69/74/352886974.db2.gz BRFHSJCIYSEDTD-UHFFFAOYSA-N 0 0 188.173 1.856 10 0 ADAERN CCc1ccc(OC)c(CO)c1OC 575694648 352886980 /nfs/dbraw/zinc/88/69/80/352886980.db2.gz AKVDMHIEZOOYOR-UHFFFAOYSA-N 0 0 196.246 1.759 10 0 ADAERN CCOc1c(O)cc(F)cc1C(N)=O 575694483 352886981 /nfs/dbraw/zinc/88/69/81/352886981.db2.gz CZGQBZRTQJKCEX-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCc1c(F)ccc(F)c1C(N)=O 575694282 352886987 /nfs/dbraw/zinc/88/69/87/352886987.db2.gz FNFYPBQGCLTXSB-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCOc1cc(O)cc(C(N)=O)c1F 575695409 352887250 /nfs/dbraw/zinc/88/72/50/352887250.db2.gz ICKMQOFMBOMIIT-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCc1ccc(F)c(C(N)=O)c1F 575695143 352887313 /nfs/dbraw/zinc/88/73/13/352887313.db2.gz NSBKHUNIOANNIZ-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCc1cc(F)cc(F)c1C(N)=O 575695112 352887345 /nfs/dbraw/zinc/88/73/45/352887345.db2.gz NDULXSLUKOVPLV-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCOc1ccc(OC)c(O)c1OC 575695229 352887355 /nfs/dbraw/zinc/88/73/55/352887355.db2.gz GGXUECZNIMBFOA-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCOc1cc(C)c(C)cc1C(N)=O 575695985 352887385 /nfs/dbraw/zinc/88/73/85/352887385.db2.gz ILMNMPJEKCCPMQ-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCOc1ccc(C)c(C)c1C(N)=O 575695190 352887415 /nfs/dbraw/zinc/88/74/15/352887415.db2.gz FRFHVKGLOAMAAR-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCOc1cc(F)cc(CO)c1F 575695797 352887430 /nfs/dbraw/zinc/88/74/30/352887430.db2.gz RELIYPZSROMAFV-UHFFFAOYSA-N 0 0 188.173 1.856 10 0 ADAERN CCOc1cc(OC)cc(OC)c1O 575695982 352887455 /nfs/dbraw/zinc/88/74/55/352887455.db2.gz ILFWMACLHUOSDG-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCc1ccc(F)c(F)c1C(N)=O 575695100 352887471 /nfs/dbraw/zinc/88/74/71/352887471.db2.gz MWCOVGPXOIWRGV-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCOc1c(F)cc(C)cc1C(N)=O 575695777 352887489 /nfs/dbraw/zinc/88/74/89/352887489.db2.gz GJUNQDDAVZGYRZ-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCc1cc(OC)cc(OC)c1O 575695098 352887519 /nfs/dbraw/zinc/88/75/19/352887519.db2.gz DTJWZUZJAVCBLC-UHFFFAOYSA-N 0 0 182.219 1.972 10 0 ADAERN CCOc1cc(F)cc(C(N)=O)c1O 575695506 352887526 /nfs/dbraw/zinc/88/75/26/352887526.db2.gz JLTYUECMMMNTJS-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1cc(C(N)=O)cc(F)c1C 575695271 352887652 /nfs/dbraw/zinc/88/76/52/352887652.db2.gz DNBYMNOLWDDNSN-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCc1cc(C)c(C)cc1C(N)=O 575695207 352887677 /nfs/dbraw/zinc/88/76/77/352887677.db2.gz GBTWCEZDACJGFM-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCOc1cc(F)c(C(N)=O)cc1O 575695540 352887709 /nfs/dbraw/zinc/88/77/09/352887709.db2.gz KDKMZBJVCYSFJG-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCc1cc(F)c(F)cc1C(N)=O 575696547 352888079 /nfs/dbraw/zinc/88/80/79/352888079.db2.gz XYRKRBZDWAUHIN-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCc1cc(F)c(C(N)=O)c(F)c1 575696588 352888089 /nfs/dbraw/zinc/88/80/89/352888089.db2.gz ZXWBLMGFZRKHMC-UHFFFAOYSA-N 0 0 185.173 1.626 10 0 ADAERN CCOc1cc(C)c(C(N)=O)cc1F 575696185 352888102 /nfs/dbraw/zinc/88/81/02/352888102.db2.gz KHCDUJZCKPRXFM-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(CO)c(F)cc1F 575696070 352888126 /nfs/dbraw/zinc/88/81/26/352888126.db2.gz USBPHSXZEPGANV-UHFFFAOYSA-N 0 0 188.173 1.856 10 0 ADAERN CCc1cc(C)c(C)c(C(N)=O)c1 575696604 352888151 /nfs/dbraw/zinc/88/81/51/352888151.db2.gz OUBKAJGXBUUQGK-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCOc1cc(C(N)=O)c(F)cc1O 575696375 352888163 /nfs/dbraw/zinc/88/81/63/352888163.db2.gz MQSLMIDUEFTABR-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1cc(F)c(C(N)=O)cc1C 575696627 352888167 /nfs/dbraw/zinc/88/81/67/352888167.db2.gz LJFLLMVTWASCAL-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(F)cc(C)c1C(N)=O 575696632 352888172 /nfs/dbraw/zinc/88/81/72/352888172.db2.gz LMACKHQZFUGKEX-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(F)cc(C(N)=O)c1C 575696718 352888174 /nfs/dbraw/zinc/88/81/74/352888174.db2.gz MPDNYXCVYRAHMD-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCc1cc(OC)cc(OC)c1CO 575696190 352888184 /nfs/dbraw/zinc/88/81/84/352888184.db2.gz LNBHQCVMWNIEKF-UHFFFAOYSA-N 0 0 196.246 1.759 10 0 ADAERN CCOc1cc(OC)c(OC)cc1O 575696631 352888187 /nfs/dbraw/zinc/88/81/87/352888187.db2.gz PKBSSSWJNYQYQV-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCOc1c(F)cc(O)cc1C(N)=O 575696317 352888189 /nfs/dbraw/zinc/88/81/89/352888189.db2.gz LSCNXEYFRLOGAF-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1cc(OC)cc(O)c1OC 575696599 352888227 /nfs/dbraw/zinc/88/82/27/352888227.db2.gz NXIBKOJYOPZJAU-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCc1cc(C)cc(C(N)=O)c1C 575696128 352888266 /nfs/dbraw/zinc/88/82/66/352888266.db2.gz KYPKYIBBKIBSEN-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCOc1cc(C)c(F)cc1C(N)=O 575696649 352888285 /nfs/dbraw/zinc/88/82/85/352888285.db2.gz LVTYJVLXDAOOHA-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(O)cc(F)c1C(N)=O 575696448 352888292 /nfs/dbraw/zinc/88/82/92/352888292.db2.gz PCNBFTHFSWTTGN-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1ccc(OC)c(OC)c1O 575696080 352888310 /nfs/dbraw/zinc/88/83/10/352888310.db2.gz JZKSZXVPLDTPPO-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCc1cc(OC)cc(CO)c1OC 575696202 352888316 /nfs/dbraw/zinc/88/83/16/352888316.db2.gz LPEVJCSPMOHRHA-UHFFFAOYSA-N 0 0 196.246 1.759 10 0 ADAERN CCc1cc(C(N)=O)c(C)cc1C 575696239 352888320 /nfs/dbraw/zinc/88/83/20/352888320.db2.gz MENNVTIGNNEWKJ-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCc1c(C)ccc(C)c1C(N)=O 575696107 352888331 /nfs/dbraw/zinc/88/83/31/352888331.db2.gz KURICYALDWJBFR-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCc1cc(OC)c(CO)c(OC)c1 575696629 352888337 /nfs/dbraw/zinc/88/83/37/352888337.db2.gz PGQCOJBNVWQPQM-UHFFFAOYSA-N 0 0 196.246 1.759 10 0 ADAERN CCOc1cc(O)c(OC)cc1OC 575696717 352888342 /nfs/dbraw/zinc/88/83/42/352888342.db2.gz QHPZWINONQCHDV-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCOc1cc(OC)c(O)cc1OC 575697140 352888801 /nfs/dbraw/zinc/88/88/01/352888801.db2.gz VVUSNJLXSZFQGF-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCOc1cc(C)cc(F)c1C(N)=O 575696742 352888828 /nfs/dbraw/zinc/88/88/28/352888828.db2.gz MXVKBQVTGKKXBR-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCc1ccc(C)c(C)c1C(N)=O 575697164 352888844 /nfs/dbraw/zinc/88/88/44/352888844.db2.gz WKJOXXCCFYAGSA-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCOc1cc(C)c(C)c(C(N)=O)c1 575696828 352888853 /nfs/dbraw/zinc/88/88/53/352888853.db2.gz SEJWGJRUIGMUBK-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCOc1cc(C)cc(C(N)=O)c1F 575696748 352888868 /nfs/dbraw/zinc/88/88/68/352888868.db2.gz MZLATIURWPDMHW-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(C)c(F)c(C(N)=O)c1 575696983 352888909 /nfs/dbraw/zinc/88/89/09/352888909.db2.gz QDEYYVPMRQKGSC-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(F)c(C)c(C(N)=O)c1 575697232 352888917 /nfs/dbraw/zinc/88/89/17/352888917.db2.gz RGXMHPRHSVJOHN-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(C)cc(C(N)=O)c1C 575696971 352888935 /nfs/dbraw/zinc/88/89/35/352888935.db2.gz VCNBJDXAEHFPAY-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCOc1cc(F)c(C)cc1C(N)=O 575696908 352888939 /nfs/dbraw/zinc/88/89/39/352888939.db2.gz PFIGMLIBMNDEON-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(C)c(C(N)=O)c(F)c1 575696975 352888940 /nfs/dbraw/zinc/88/89/40/352888940.db2.gz PYNSRLFXAZSUGV-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCc1ccc(C)c(C(N)=O)c1C 575697170 352888999 /nfs/dbraw/zinc/88/89/99/352888999.db2.gz WQXMALYVSNVVJM-UHFFFAOYSA-N 0 0 177.247 1.965 10 0 ADAERN CCOc1c(OC)ccc(OC)c1O 575696735 352888980 /nfs/dbraw/zinc/88/89/80/352888980.db2.gz QOWAPOZKGGLTFH-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCOc1cc(O)c(OC)c(OC)c1 575697174 352888981 /nfs/dbraw/zinc/88/89/81/352888981.db2.gz XAJPXHGMAHGHRE-UHFFFAOYSA-N 0 0 198.218 1.808 10 0 ADAERN CCOc1cc(C)cc(C)c1C(N)=O 575696738 352888992 /nfs/dbraw/zinc/88/89/92/352888992.db2.gz QSAUNCRIKHQIRM-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCOc1cc(C(N)=O)c(C)cc1C 575696803 352888998 /nfs/dbraw/zinc/88/89/98/352888998.db2.gz RXBHOUMHBHCIJD-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN CCOc1c(C)cc(OC)cc1CO 575698248 352889236 /nfs/dbraw/zinc/88/92/36/352889236.db2.gz HSOOJENUUFZUCH-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1c(C)ccc(OC)c1CO 575698217 352889308 /nfs/dbraw/zinc/88/93/08/352889308.db2.gz GNAPJNDGQIDPQS-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(OC)cc(CO)c1C 575698354 352889321 /nfs/dbraw/zinc/88/93/21/352889321.db2.gz LTIKSNHLHBKNJO-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(OC)cc(C)c1CO 575698085 352889327 /nfs/dbraw/zinc/88/93/27/352889327.db2.gz ATUIRQUWXUZMLW-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(C)cc(OC)c1CO 575698236 352889446 /nfs/dbraw/zinc/88/94/46/352889446.db2.gz HBUGZBKHTAKFGC-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(CO)c(C)c(OC)c1 575698103 352889486 /nfs/dbraw/zinc/88/94/86/352889486.db2.gz BKWJBOFQPQUMHZ-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(CO)cc(OC)c1C 575698282 352889524 /nfs/dbraw/zinc/88/95/24/352889524.db2.gz JEXXSUKZBIWYIE-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(C)cc(CO)c1OC 575698119 352889553 /nfs/dbraw/zinc/88/95/53/352889553.db2.gz CFZGMAMHZUACKB-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(CO)c(C)cc1OC 575698315 352889568 /nfs/dbraw/zinc/88/95/68/352889568.db2.gz KGLHHGCXESEONK-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(C)c(OC)cc1CO 575698499 352889574 /nfs/dbraw/zinc/88/95/74/352889574.db2.gz SRAFZWIPHPZDFC-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(C)c(OC)c(CO)c1 575698593 352889580 /nfs/dbraw/zinc/88/95/80/352889580.db2.gz ZHHRJGHRCFGLJH-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(C)c(CO)c(OC)c1 575698535 352889585 /nfs/dbraw/zinc/88/95/85/352889585.db2.gz WERUFAZJUQIGIU-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(OC)c(C)cc1CO 575698570 352889609 /nfs/dbraw/zinc/88/96/09/352889609.db2.gz YIDIEEUKCKUUEE-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(C)c(CO)cc1OC 575698105 352889614 /nfs/dbraw/zinc/88/96/14/352889614.db2.gz BMPJAAHCAUJSFB-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(OC)c(CO)cc1C 575698139 352889638 /nfs/dbraw/zinc/88/96/38/352889638.db2.gz DNABXYNGSXMCSY-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(F)c(O)c(C(N)=O)c1 575697575 352889646 /nfs/dbraw/zinc/88/96/46/352889646.db2.gz ZGKCYMOSHKNGJH-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1c(CO)cc(C)cc1OC 575698192 352889693 /nfs/dbraw/zinc/88/96/93/352889693.db2.gz FWJKHWKHAXOIBQ-UHFFFAOYSA-N 0 0 196.246 1.895 10 0 ADAERN CCOc1cc(C(N)=O)c(C)cc1F 575697576 352889702 /nfs/dbraw/zinc/88/97/02/352889702.db2.gz XOAIDQCKABBQNP-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCOc1cc(F)c(O)cc1C(N)=O 575697463 352889752 /nfs/dbraw/zinc/88/97/52/352889752.db2.gz WLEHXJZMZZALPR-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1cc(C(N)=O)cc(F)c1O 575697521 352889762 /nfs/dbraw/zinc/88/97/62/352889762.db2.gz XRNFOPVBRLFTAD-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1cc(O)c(F)c(C(N)=O)c1 575697581 352889869 /nfs/dbraw/zinc/88/98/69/352889869.db2.gz ZMRIXKLHQGXCBE-UHFFFAOYSA-N 0 0 199.181 1.029 10 0 ADAERN CCOc1c(C)cc(F)cc1C(N)=O 575697633 352889879 /nfs/dbraw/zinc/88/98/79/352889879.db2.gz YYNCDRHHNMNAFT-UHFFFAOYSA-N 0 0 197.209 1.632 10 0 ADAERN CCc1cc(CO)cc(OC)c1F 575701559 352890065 /nfs/dbraw/zinc/89/00/65/352890065.db2.gz DMGNBPVPRKAWJH-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1cc(OC)c(CO)cc1F 575701797 352890102 /nfs/dbraw/zinc/89/01/02/352890102.db2.gz IUWJDPGCJNZLEO-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1ccc(F)c(OC)c1CO 575702153 352890106 /nfs/dbraw/zinc/89/01/06/352890106.db2.gz LLFHNVIYXVFXAQ-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1c(OC)ccc(F)c1CO 575701817 352890156 /nfs/dbraw/zinc/89/01/56/352890156.db2.gz JKWCZPFZYGANRL-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1cc(OC)cc(F)c1CO 575701893 352890314 /nfs/dbraw/zinc/89/03/14/352890314.db2.gz KVMPVCKPKJZUAO-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN COc1cc(F)c(C=O)c(CO)c1 575705466 352891175 /nfs/dbraw/zinc/89/11/75/352891175.db2.gz JLFMRTYNSUICGY-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN CCc1ccc(OC)c(CO)c1F 575701569 352890358 /nfs/dbraw/zinc/89/03/58/352890358.db2.gz DZANFHSCGBZNIN-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1cc(F)c(OC)cc1CO 575701515 352890390 /nfs/dbraw/zinc/89/03/90/352890390.db2.gz BGDVAPWEOYQNQO-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1c(OC)ccc(CO)c1F 575701830 352890483 /nfs/dbraw/zinc/89/04/83/352890483.db2.gz JSGWFVMJNBQDQF-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CSc1c(CO)ccc(F)c1O 575702165 352890487 /nfs/dbraw/zinc/89/04/87/352890487.db2.gz BNJYLWGQGLATSE-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN COc1c(CO)ccc(F)c1C=O 575705697 352891071 /nfs/dbraw/zinc/89/10/71/352891071.db2.gz KSGNMYMQABYURK-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN CSc1cc(O)c(CO)cc1F 575704654 352891130 /nfs/dbraw/zinc/89/11/30/352891130.db2.gz YRZBWPZSHLDJGR-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN COc1ccc(CO)c(C=O)c1F 575705740 352891144 /nfs/dbraw/zinc/89/11/44/352891144.db2.gz MDCHDCAUXDVILZ-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN CSc1cc(CO)cc(O)c1F 575703979 352891203 /nfs/dbraw/zinc/89/12/03/352891203.db2.gz RVISGLJMAVMHNQ-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN COc1cc(F)c(CO)c(C=O)c1 575705687 352891291 /nfs/dbraw/zinc/89/12/91/352891291.db2.gz KRFAJDSMFDQZLE-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1cc(F)c(CO)cc1C=O 575704409 352891305 /nfs/dbraw/zinc/89/13/05/352891305.db2.gz AKELXXWFMVEBIC-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1ccc(F)c(C=O)c1CO 575704583 352891381 /nfs/dbraw/zinc/89/13/81/352891381.db2.gz BAWRJNZQVQLWMS-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1c(C=O)cc(F)cc1CO 575705008 352891451 /nfs/dbraw/zinc/89/14/51/352891451.db2.gz DUTLMEFQHDSTLA-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1cc(C=O)c(CO)cc1F 575704762 352891458 /nfs/dbraw/zinc/89/14/58/352891458.db2.gz BPUALLJVVACAQP-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1c(F)ccc(C=O)c1CO 575705547 352891484 /nfs/dbraw/zinc/89/14/84/352891484.db2.gz KDMAZHIAAASVPG-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1cc(C=O)cc(F)c1CO 575705020 352891490 /nfs/dbraw/zinc/89/14/90/352891490.db2.gz FBNCEHDPOJBKKO-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1ccc(F)c(CO)c1C=O 575706107 352891718 /nfs/dbraw/zinc/89/17/18/352891718.db2.gz RQCQAXLEYBMKBA-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1cc(CO)c(F)cc1C=O 575705867 352891720 /nfs/dbraw/zinc/89/17/20/352891720.db2.gz PNQQLIREHSXBFJ-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN CSc1cc(C)c(F)c(C(N)=O)c1 575708147 352891785 /nfs/dbraw/zinc/89/17/85/352891785.db2.gz AWPCJWNNCTXAFL-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COc1cc(C=O)cc(CO)c1F 575706470 352891860 /nfs/dbraw/zinc/89/18/60/352891860.db2.gz WNVNSQYZFAIZBK-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1ccc(C=O)c(CO)c1F 575705781 352891890 /nfs/dbraw/zinc/89/18/90/352891890.db2.gz NFZGTNNMTVVGRR-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN CSc1cc(F)c(C)c(C(N)=O)c1 575708206 352892112 /nfs/dbraw/zinc/89/21/12/352892112.db2.gz BDZUSOXSFYBLFI-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COc1cc(F)c(C=O)cc1CO 575706034 352892130 /nfs/dbraw/zinc/89/21/30/352892130.db2.gz QIPPXYZWLYONIU-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1ccc(C=O)c(F)c1CO 575706441 352892211 /nfs/dbraw/zinc/89/22/11/352892211.db2.gz VWXACIPLMVGIDY-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN COc1cc(C=O)c(F)cc1CO 575706488 352892295 /nfs/dbraw/zinc/89/22/95/352892295.db2.gz XGYWYTVFZSKPMN-UHFFFAOYSA-N 0 0 184.166 1.139 10 0 ADAERN CSc1ccc(F)c(C(N)=O)c1C 575709639 352892556 /nfs/dbraw/zinc/89/25/56/352892556.db2.gz MNTSNKUSRIEOHX-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN Cc1c(F)cc(C=O)cc1C=O 575709213 352892557 /nfs/dbraw/zinc/89/25/57/352892557.db2.gz JUTYUXIVODKIBC-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN CSc1c(F)cc(C)cc1C(N)=O 575710089 352892555 /nfs/dbraw/zinc/89/25/55/352892555.db2.gz PJBKIWPNZOKZKO-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COC(=O)Cc1cc(F)cc(O)c1C 575713865 352892566 /nfs/dbraw/zinc/89/25/66/352892566.db2.gz ILEZWBKHPSRWGS-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CSc1cc(F)c(C)cc1C(N)=O 575709813 352892570 /nfs/dbraw/zinc/89/25/70/352892570.db2.gz OMVGZUADXAKYON-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COC(=O)c1c(C)cc(O)cc1F 575713916 352892576 /nfs/dbraw/zinc/89/25/76/352892576.db2.gz KSNATQSEJLSYIR-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN COC(=O)c1ccc(F)c(C)c1O 575713891 352892579 /nfs/dbraw/zinc/89/25/79/352892579.db2.gz JMAZPTZLMVUIRD-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CSc1cc(F)cc(C)c1C(N)=O 575709585 352892586 /nfs/dbraw/zinc/89/25/86/352892586.db2.gz LXDCYHIDFZFUTJ-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COC(=O)c1c(O)cc(C)cc1F 575713517 352892600 /nfs/dbraw/zinc/89/26/00/352892600.db2.gz BUXQWMFTFUWIPP-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN Cc1cc(F)c(C=O)c(C=O)c1 575710718 352892609 /nfs/dbraw/zinc/89/26/09/352892609.db2.gz UVZFBKGDKSZZSP-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN Cc1cc(C=O)c(F)c(C=O)c1 575710231 352892612 /nfs/dbraw/zinc/89/26/12/352892612.db2.gz RIROMRTUSXTRSQ-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN CSc1c(C)cc(F)cc1C(N)=O 575710114 352892615 /nfs/dbraw/zinc/89/26/15/352892615.db2.gz PSSLSGQTGSIGBS-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COC(=O)Cc1c(C)cc(O)cc1F 575713944 352892622 /nfs/dbraw/zinc/89/26/22/352892622.db2.gz MGUKCRNXONWXSR-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CSc1cc(C(N)=O)c(F)cc1C 575709110 352892627 /nfs/dbraw/zinc/89/26/27/352892627.db2.gz HZOFGNIGHUWACO-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN CSc1ccc(F)c(C)c1C(N)=O 575710221 352892631 /nfs/dbraw/zinc/89/26/31/352892631.db2.gz RGXRREFKPQXLCQ-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COc1ccc(OC)c(OC)c1F 575713801 352892636 /nfs/dbraw/zinc/89/26/36/352892636.db2.gz DDFNCFPBZUCQIF-UHFFFAOYSA-N 0 0 186.182 1.852 10 0 ADAERN CSc1c(C)ccc(C(N)=O)c1F 575710720 352892641 /nfs/dbraw/zinc/89/26/41/352892641.db2.gz VATXADVXVFNLQO-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN Cc1ccc(C=O)c(C=O)c1F 575710789 352892646 /nfs/dbraw/zinc/89/26/46/352892646.db2.gz YCKXRPBBGZKSEN-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN CSc1cc(C)c(C(N)=O)cc1F 575710239 352892649 /nfs/dbraw/zinc/89/26/49/352892649.db2.gz RLCCHLLRKPQMRL-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN Cc1ccc(F)c(C=O)c1C=O 575709573 352892653 /nfs/dbraw/zinc/89/26/53/352892653.db2.gz LQGMHCKKFASXRD-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN Cc1cc(F)c(C=O)cc1C=O 575710698 352892655 /nfs/dbraw/zinc/89/26/55/352892655.db2.gz UBGKZCCYUZJXJP-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN Cc1c(F)ccc(C=O)c1C=O 575709208 352892671 /nfs/dbraw/zinc/89/26/71/352892671.db2.gz JRNVYWYUEFUVEJ-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN Cc1c(C=O)ccc(F)c1C=O 575709479 352892674 /nfs/dbraw/zinc/89/26/74/352892674.db2.gz KOBHXTYYZMNOCB-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN COC(=O)Cc1cc(C)c(F)cc1O 575713942 352892679 /nfs/dbraw/zinc/89/26/79/352892679.db2.gz MDEHHQAFSXUNBB-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CSc1ccc(C)c(C(N)=O)c1F 575708624 352892709 /nfs/dbraw/zinc/89/27/09/352892709.db2.gz FKSOZXURDLYGJU-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COC(=O)c1c(C)cc(F)cc1O 575713939 352892715 /nfs/dbraw/zinc/89/27/15/352892715.db2.gz LZORYLPTKSQJLL-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN Cc1cc(C=O)cc(C=O)c1F 575709152 352892725 /nfs/dbraw/zinc/89/27/25/352892725.db2.gz IUMVFEGEQMAKOT-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN CSc1cc(C(N)=O)c(C)cc1F 575709797 352892738 /nfs/dbraw/zinc/89/27/38/352892738.db2.gz NWANVZVUEGDLBL-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN CSc1ccc(C)c(F)c1C(N)=O 575709484 352892744 /nfs/dbraw/zinc/89/27/44/352892744.db2.gz KRBGSBRMDZYESI-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN Cc1cc(F)cc(C=O)c1C=O 575710756 352892757 /nfs/dbraw/zinc/89/27/57/352892757.db2.gz WWVWLPAZAGGJKH-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN Cc1cc(C=O)c(F)cc1C=O 575710694 352892761 /nfs/dbraw/zinc/89/27/61/352892761.db2.gz SZTLWZMYZGZYQR-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN CSc1c(F)ccc(C)c1C(N)=O 575709886 352892769 /nfs/dbraw/zinc/89/27/69/352892769.db2.gz OTHPVFBRONAYPV-UHFFFAOYSA-N 0 0 199.250 1.955 10 0 ADAERN COC(=O)c1cc(OC)cc(F)c1C 575713502 352892782 /nfs/dbraw/zinc/89/27/82/352892782.db2.gz BSILTZYQBCHTNG-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)Cc1c(F)ccc(O)c1C 575713555 352892785 /nfs/dbraw/zinc/89/27/85/352892785.db2.gz CRASAGVFZSJMJO-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN Cc1ccc(C=O)c(F)c1C=O 575708420 352892788 /nfs/dbraw/zinc/89/27/88/352892788.db2.gz DDZTZDHHZJKQLT-UHFFFAOYSA-N 0 0 166.151 1.759 10 0 ADAERN COC(=O)Cc1c(O)cc(C)cc1F 575713930 352892801 /nfs/dbraw/zinc/89/28/01/352892801.db2.gz LMDYFWZATFUNHE-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COC(=O)c1c(C)cc(F)cc1OC 575714703 352893334 /nfs/dbraw/zinc/89/33/34/352893334.db2.gz WENHBIRCGDMYKE-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN COC(=O)c1c(C)cc(OC)cc1F 575714676 352893370 /nfs/dbraw/zinc/89/33/70/352893370.db2.gz UUSIBSHYIPQXGL-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN CC(=O)c1cc(O)cc(N)c1Cl 575715548 352893452 /nfs/dbraw/zinc/89/34/52/352893452.db2.gz JTXKPRFHEBXFTO-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN COC(=O)Cc1cc(O)cc(F)c1C 575714913 352893503 /nfs/dbraw/zinc/89/35/03/352893503.db2.gz ZYHDUOWUAQCLEW-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COc1cc(F)c(OC)c(OC)c1 575714467 352893534 /nfs/dbraw/zinc/89/35/34/352893534.db2.gz OUUXGWJESZIAAB-UHFFFAOYSA-N 0 0 186.182 1.852 10 0 ADAERN COC(=O)Cc1c(C)ccc(O)c1F 575714262 352893553 /nfs/dbraw/zinc/89/35/53/352893553.db2.gz NONHQVYTQSMOCR-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN CC(=O)c1cc(O)cc(Cl)c1N 575715478 352893588 /nfs/dbraw/zinc/89/35/88/352893588.db2.gz HKURYHPIQSEJLN-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN COC(=O)c1c(F)cc(C)cc1OC 575714290 352893610 /nfs/dbraw/zinc/89/36/10/352893610.db2.gz PQAHHOJQBFPBJP-UHFFFAOYSA-N 0 0 198.193 1.929 10 0 ADAERN CC(=O)c1c(N)cc(Cl)cc1O 575715565 352893619 /nfs/dbraw/zinc/89/36/19/352893619.db2.gz KDHWSRUMFJILRQ-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN COC(=O)Cc1c(C)cc(F)cc1O 575714902 352893634 /nfs/dbraw/zinc/89/36/34/352893634.db2.gz ZTHFCZYVURNBAZ-UHFFFAOYSA-N 0 0 198.193 1.555 10 0 ADAERN COC(=O)c1c(F)ccc(O)c1C 575714343 352893639 /nfs/dbraw/zinc/89/36/39/352893639.db2.gz SJHPUXAULFOLBL-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN COC(=O)c1ccc(O)c(F)c1C 575714697 352893662 /nfs/dbraw/zinc/89/36/62/352893662.db2.gz VWRBUXLPHCXZDL-UHFFFAOYSA-N 0 0 184.166 1.626 10 0 ADAERN CC(=O)c1c(O)cc(N)cc1Cl 575715810 352894049 /nfs/dbraw/zinc/89/40/49/352894049.db2.gz RXSIEFGXZUQZBY-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CC(=O)c1cc(N)cc(O)c1Cl 575715724 352894102 /nfs/dbraw/zinc/89/41/02/352894102.db2.gz OUUPMPNJXRIJRL-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CC(=O)c1c(N)cc(O)cc1Cl 575715801 352894123 /nfs/dbraw/zinc/89/41/23/352894123.db2.gz RLLWHUKQRNJPNE-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CC(=O)c1cc(N)cc(Cl)c1O 575715857 352894281 /nfs/dbraw/zinc/89/42/81/352894281.db2.gz VIJRRXJQTJAQIY-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CC(=O)c1cc(O)c(N)cc1Cl 575715785 352894323 /nfs/dbraw/zinc/89/43/23/352894323.db2.gz QYLIPWLLPBDWCW-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CC(=O)c1cc(N)c(O)cc1Cl 575715837 352894344 /nfs/dbraw/zinc/89/43/44/352894344.db2.gz UEFZYVKKLXXRSH-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CC(=O)c1cc(Cl)cc(O)c1N 575715725 352894400 /nfs/dbraw/zinc/89/44/00/352894400.db2.gz OVWYIHUZZBHQKH-UHFFFAOYSA-N 0 0 185.610 1.830 10 0 ADAERN CC(=O)c1cc(F)cc(F)c1N 575716051 352894614 /nfs/dbraw/zinc/89/46/14/352894614.db2.gz HJNTWFOXDYUNJW-UHFFFAOYSA-N 0 0 171.146 1.750 10 0 ADAERN COc1cc(C)c(C(C)=O)c(N)c1 575716229 352894655 /nfs/dbraw/zinc/89/46/55/352894655.db2.gz BXVOPUVNRGQCRF-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1ccc(N)c(C)c1C(C)=O 575716571 352894668 /nfs/dbraw/zinc/89/46/68/352894668.db2.gz HHAILPFPPOGRMP-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1cc(N)c(C)c(C(C)=O)c1 575716567 352894683 /nfs/dbraw/zinc/89/46/83/352894683.db2.gz HGAMXTWXQMTNSW-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1ccc(C)c(C(C)=O)c1N 575716354 352894686 /nfs/dbraw/zinc/89/46/86/352894686.db2.gz FCQZEMSKAFOWNS-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1cc(N)cc(C(C)=O)c1C 575716564 352894895 /nfs/dbraw/zinc/89/48/95/352894895.db2.gz HDSIDFWQUOONGX-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN CC(=O)c1c(N)ccc(F)c1F 575716680 352895335 /nfs/dbraw/zinc/89/53/35/352895335.db2.gz VANVUEYIZXGQGB-UHFFFAOYSA-N 0 0 171.146 1.750 10 0 ADAERN COc1cc(N)cc(C)c1C(C)=O 575716804 352895372 /nfs/dbraw/zinc/89/53/72/352895372.db2.gz NCZLTMFQBIKAMM-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1cc(C)cc(C(C)=O)c1N 575716811 352895622 /nfs/dbraw/zinc/89/56/22/352895622.db2.gz NGCPTAZQHPAXBD-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1cc(C)c(C(C)=O)cc1N 575716688 352895638 /nfs/dbraw/zinc/89/56/38/352895638.db2.gz JIVVXZKTRALYBJ-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN COc1ccc(C)c(N)c1C(C)=O 575717386 352896061 /nfs/dbraw/zinc/89/60/61/352896061.db2.gz TWCDNSOMGYRKRH-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN CC(=O)c1cc(O)cc(N)c1F 575717881 352896728 /nfs/dbraw/zinc/89/67/28/352896728.db2.gz DCMQYCVBLDMGHM-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1c(N)ccc(C)c1C(C)=O 575717759 352896770 /nfs/dbraw/zinc/89/67/70/352896770.db2.gz YYHWLHQJYIXSMN-UHFFFAOYSA-N 0 0 179.219 1.788 10 0 ADAERN CC(=O)c1c(O)cc(N)cc1F 575717963 352896807 /nfs/dbraw/zinc/89/68/07/352896807.db2.gz DYADFQWEHPSGMC-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CC(=O)c1cc(F)c(N)cc1O 575717753 352896924 /nfs/dbraw/zinc/89/69/24/352896924.db2.gz AWHHBBORBWGEEJ-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CC(=O)c1c(O)ccc(F)c1N 575718280 352897432 /nfs/dbraw/zinc/89/74/32/352897432.db2.gz HVRQLLHASQQHTB-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CC(=O)c1c(F)ccc(N)c1O 575718009 352897441 /nfs/dbraw/zinc/89/74/41/352897441.db2.gz FGGAKHRBXBJHGP-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1cc(C(C)=O)c(O)cc1N 575718558 352897881 /nfs/dbraw/zinc/89/78/81/352897881.db2.gz FDHSGHRWLOIFQI-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1c(N)cc(O)cc1C(C)=O 575718544 352897925 /nfs/dbraw/zinc/89/79/25/352897925.db2.gz DPHJOCRYGGXHLL-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN CC(=O)c1cc(O)cc(F)c1N 575718386 352897952 /nfs/dbraw/zinc/89/79/52/352897952.db2.gz KPATYJPOCVOOOM-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1c(O)ccc(N)c1C(C)=O 575718511 352898182 /nfs/dbraw/zinc/89/81/82/352898182.db2.gz BRRQKUZTQKFJLR-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN CC(=O)c1cc(O)c(N)cc1F 575718584 352898222 /nfs/dbraw/zinc/89/82/22/352898222.db2.gz MDGUNFLJBGYGCM-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1ccc(N)c(C(C)=O)c1O 575718463 352898228 /nfs/dbraw/zinc/89/82/28/352898228.db2.gz AQLDEYMCDCJKHF-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN CC(=O)c1c(N)cc(F)cc1O 575718619 352898724 /nfs/dbraw/zinc/89/87/24/352898724.db2.gz MMOUHGBKTFLUPA-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CC(=O)c1c(O)ccc(N)c1F 575718713 352898748 /nfs/dbraw/zinc/89/87/48/352898748.db2.gz OFAFNHAOFWMMRM-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1ccc(O)c(N)c1C(C)=O 575718868 352898783 /nfs/dbraw/zinc/89/87/83/352898783.db2.gz IUWGTJSPQXPXQG-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1cc(N)c(O)cc1C(C)=O 575718851 352898872 /nfs/dbraw/zinc/89/88/72/352898872.db2.gz HUTBZWXXUUUJRG-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1cc(C(C)=O)c(N)cc1O 575718946 352899286 /nfs/dbraw/zinc/89/92/86/352899286.db2.gz MLPUGANCKJOTTL-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1c(N)ccc(O)c1C(C)=O 575718920 352899344 /nfs/dbraw/zinc/89/93/44/352899344.db2.gz KZQDEMGNSFFLKP-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1cc(O)c(N)c(C(C)=O)c1 575719280 352900011 /nfs/dbraw/zinc/90/00/11/352900011.db2.gz RKWSDDNSHAPYOF-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1c(O)cc(N)cc1C(C)=O 575719445 352900017 /nfs/dbraw/zinc/90/00/17/352900017.db2.gz SEALCJLGPSZVGX-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN CC(=O)c1cc(F)cc(O)c1N 575719279 352900020 /nfs/dbraw/zinc/90/00/20/352900020.db2.gz ZTKKOXZOSHEPHL-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1ccc(O)c(C(C)=O)c1N 575719226 352900036 /nfs/dbraw/zinc/90/00/36/352900036.db2.gz QEAVLJWANQBSQE-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN CC(=O)c1cc(N)cc(O)c1F 575719231 352900123 /nfs/dbraw/zinc/90/01/23/352900123.db2.gz XXZANYDGHDZHQP-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CC(=O)c1cc(N)cc(F)c1O 575719288 352900133 /nfs/dbraw/zinc/90/01/33/352900133.db2.gz ZYMXYYPKVYZBPT-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN CC(=O)c1c(F)ccc(O)c1N 575719246 352900143 /nfs/dbraw/zinc/90/01/43/352900143.db2.gz YMWLIAARCMZURA-UHFFFAOYSA-N 0 0 169.155 1.316 10 0 ADAERN COc1cc(O)cc(N)c1C(C)=O 575719196 352900153 /nfs/dbraw/zinc/90/01/53/352900153.db2.gz PFIVAVKDIONCNT-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1cc(N)c(C(C)=O)c(O)c1 575719590 352900452 /nfs/dbraw/zinc/90/04/52/352900452.db2.gz XXLFMADPBHBKIY-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN COc1ccc(Cl)c(O)c1N 575719931 352900476 /nfs/dbraw/zinc/90/04/76/352900476.db2.gz BLLYESZDWCUPOH-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN COc1cc(O)c(N)cc1C(C)=O 575719510 352900577 /nfs/dbraw/zinc/90/05/77/352900577.db2.gz UTVXMZKERNBOET-UHFFFAOYSA-N 0 0 181.191 1.186 10 0 ADAERN Nc1cc(F)c(N)c(OC(F)F)c1 575719820 352900587 /nfs/dbraw/zinc/90/05/87/352900587.db2.gz AHOPIHFRLBOWSM-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN Nc1ccc(OC(F)F)c(F)c1N 575720128 352900591 /nfs/dbraw/zinc/90/05/91/352900591.db2.gz HUDBVQFQYSZICS-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN COc1c(N)cc(O)cc1Cl 575719956 352900608 /nfs/dbraw/zinc/90/06/08/352900608.db2.gz CBFWZDHJQVZMRZ-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN Nc1cc(O)c(Cl)cc1N 575720008 352900614 /nfs/dbraw/zinc/90/06/14/352900614.db2.gz CBHJCCVMROYSJS-UHFFFAOYSA-N 0 0 158.588 1.210 10 0 ADAERN Nc1cc(OC(F)F)cc(F)c1N 575719840 352900693 /nfs/dbraw/zinc/90/06/93/352900693.db2.gz AOBPAFUKNAQEPD-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN Nc1ccc(Cl)c(N)c1F 575719843 352900745 /nfs/dbraw/zinc/90/07/45/352900745.db2.gz ALGJXPQEXJYKSM-UHFFFAOYSA-N 0 0 160.579 1.644 10 0 ADAERN COc1cc(Cl)c(O)cc1N 575719927 352900733 /nfs/dbraw/zinc/90/07/33/352900733.db2.gz BFUMPWYMLKRAPG-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN CCOc1cc(N)cc(N)c1Cl 575720061 352900805 /nfs/dbraw/zinc/90/08/05/352900805.db2.gz DRBVVTZYHJZVEN-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN CC(=O)c1cc(Cl)cc(N)c1N 575720100 352900832 /nfs/dbraw/zinc/90/08/32/352900832.db2.gz GHUGCYYXHXHFGO-UHFFFAOYSA-N 0 0 184.626 1.707 10 0 ADAERN COc1c(O)ccc(Cl)c1N 575719962 352900867 /nfs/dbraw/zinc/90/08/67/352900867.db2.gz CDVAARSSGVPSAO-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN Nc1ccc(C(F)F)c(N)c1F 575722123 352901901 /nfs/dbraw/zinc/90/19/01/352901901.db2.gz BJZLGSGDOUZXAJ-UHFFFAOYSA-N 0 0 176.141 1.928 10 0 ADAERN COc1cc(N)c(Cl)c(O)c1 575720624 352901042 /nfs/dbraw/zinc/90/10/42/352901042.db2.gz PUZSVKYVKXYTTC-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN COc1ccc(Cl)c(N)c1O 575720909 352901055 /nfs/dbraw/zinc/90/10/55/352901055.db2.gz SPEXCGNUMTVRFJ-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN Nc1ccc(F)c(N)c1OC(F)F 575720189 352901092 /nfs/dbraw/zinc/90/10/92/352901092.db2.gz IOPUUFRBMFLQAW-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN COc1ccc(N)c(Cl)c1N 575720229 352901101 /nfs/dbraw/zinc/90/11/01/352901101.db2.gz JBCFEIZGGAUJBG-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN CCOc1cc(N)cc(Cl)c1N 575720801 352901122 /nfs/dbraw/zinc/90/11/22/352901122.db2.gz UCTCXVQIPNMGID-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN COc1cc(Cl)cc(O)c1N 575720285 352901144 /nfs/dbraw/zinc/90/11/44/352901144.db2.gz KBQHCVLRBXNBKM-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN COc1c(N)ccc(Cl)c1O 575720510 352901151 /nfs/dbraw/zinc/90/11/51/352901151.db2.gz NEENLBWYLLDGAP-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN COc1c(Cl)ccc(N)c1O 575720522 352901157 /nfs/dbraw/zinc/90/11/57/352901157.db2.gz NLJFBZCDNQYVPI-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN Nc1cc(N)c(OC(F)F)c(F)c1 575720214 352901175 /nfs/dbraw/zinc/90/11/75/352901175.db2.gz JIBHPGCSZHQPIX-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN CCOc1cc(Cl)c(N)cc1N 575720689 352901179 /nfs/dbraw/zinc/90/11/79/352901179.db2.gz PQYDMIFYQNLQKX-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN COc1cc(N)c(Cl)c(N)c1 575720693 352901182 /nfs/dbraw/zinc/90/11/82/352901182.db2.gz PTFUNIMKNOPWPY-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN CC(=O)c1c(N)cc(N)cc1Cl 575720337 352901201 /nfs/dbraw/zinc/90/12/01/352901201.db2.gz LARUTXOINZAJFI-UHFFFAOYSA-N 0 0 184.626 1.707 10 0 ADAERN Nc1cc(N)c(O)c(C(F)(F)F)c1 575720932 352901205 /nfs/dbraw/zinc/90/12/05/352901205.db2.gz DOMOIHJUYUNUPD-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN Nc1cc(N)c(OC(F)F)cc1F 575720984 352901212 /nfs/dbraw/zinc/90/12/12/352901212.db2.gz XKFBPQIWJMEPCE-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN CC(=O)c1cc(N)c(N)cc1Cl 575720188 352901246 /nfs/dbraw/zinc/90/12/46/352901246.db2.gz HPYJIQKNYBZSOK-UHFFFAOYSA-N 0 0 184.626 1.707 10 0 ADAERN Nc1ccc(N)c(Cl)c1F 575720749 352901250 /nfs/dbraw/zinc/90/12/50/352901250.db2.gz RRSVMNWANOABLX-UHFFFAOYSA-N 0 0 160.579 1.644 10 0 ADAERN CC(=O)c1ccc(N)c(Cl)c1N 575721025 352901277 /nfs/dbraw/zinc/90/12/77/352901277.db2.gz VHBIEFRJJYDDHU-UHFFFAOYSA-N 0 0 184.626 1.707 10 0 ADAERN Nc1ccc(Cl)c(N)c1O 575721063 352901295 /nfs/dbraw/zinc/90/12/95/352901295.db2.gz VYUBAPZQUMWWAS-UHFFFAOYSA-N 0 0 158.588 1.210 10 0 ADAERN Nc1cc(Cl)cc(N)c1F 575720712 352901324 /nfs/dbraw/zinc/90/13/24/352901324.db2.gz QMIKUZFPNIQREC-UHFFFAOYSA-N 0 0 160.579 1.644 10 0 ADAERN COc1ccc(O)c(Cl)c1N 575720365 352901331 /nfs/dbraw/zinc/90/13/31/352901331.db2.gz LMQFUSULLUDMOZ-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN CCOc1c(N)cc(Cl)cc1N 575720166 352901348 /nfs/dbraw/zinc/90/13/48/352901348.db2.gz HFTNCFIWPICXTH-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN Nc1cc(O)cc(N)c1C(F)(F)F 575720960 352901352 /nfs/dbraw/zinc/90/13/52/352901352.db2.gz DTDJMGWMNCAATR-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN CCOc1c(N)ccc(N)c1Cl 575720373 352901358 /nfs/dbraw/zinc/90/13/58/352901358.db2.gz LTPRXQRCBRWSRN-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN COc1cc(Cl)c(N)cc1O 575720306 352901381 /nfs/dbraw/zinc/90/13/81/352901381.db2.gz KHDFERLUXMATOO-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN COc1cc(N)c(Cl)cc1O 575720995 352901391 /nfs/dbraw/zinc/90/13/91/352901391.db2.gz YBORGBKBBZYYJY-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN CCOc1ccc(N)c(OCC)c1O 575720795 352901397 /nfs/dbraw/zinc/90/13/97/352901397.db2.gz BCBHOGWCAWKNFR-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN Nc1cc(N)c(C(F)(F)F)c(O)c1 575720980 352901400 /nfs/dbraw/zinc/90/14/00/352901400.db2.gz FDEIHSSXUCBENG-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN Nc1cc(Cl)cc(O)c1N 575720156 352901430 /nfs/dbraw/zinc/90/14/30/352901430.db2.gz GYVBTRFLHJPRJM-UHFFFAOYSA-N 0 0 158.588 1.210 10 0 ADAERN Nc1cc(F)cc(N)c1OC(F)F 575720195 352901436 /nfs/dbraw/zinc/90/14/36/352901436.db2.gz IRXPADSPNZCUAK-UHFFFAOYSA-N 0 0 192.140 1.592 10 0 ADAERN Nc1cc(O)c(N)c(Cl)c1 575720640 352901451 /nfs/dbraw/zinc/90/14/51/352901451.db2.gz NTPNNSVLUCVQDK-UHFFFAOYSA-N 0 0 158.588 1.210 10 0 ADAERN Cc1c(N)cc(O)cc1Cl 575720889 352901471 /nfs/dbraw/zinc/90/14/71/352901471.db2.gz SCUMIFZJUUGUCW-UHFFFAOYSA-N 0 0 157.600 1.936 10 0 ADAERN COc1c(O)cc(N)cc1Cl 575720232 352901475 /nfs/dbraw/zinc/90/14/75/352901475.db2.gz JTYFUMVZKLENEK-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN CCOc1c(N)ccc(Cl)c1N 575720820 352901492 /nfs/dbraw/zinc/90/14/92/352901492.db2.gz USDJWEOERZBCFI-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN COc1c(N)cc(Cl)cc1O 575720956 352901508 /nfs/dbraw/zinc/90/15/08/352901508.db2.gz WDXKIDLCRMCXKU-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN COc1cc(O)cc(N)c1Cl 575721049 352901528 /nfs/dbraw/zinc/90/15/28/352901528.db2.gz YVVMLDNOGZCWIA-UHFFFAOYSA-N 0 0 173.599 1.636 10 0 ADAERN Nc1c(Cl)ccc(F)c1O 575722263 352901817 /nfs/dbraw/zinc/90/18/17/352901817.db2.gz KAEVKWKLINCPHZ-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN COc1c(N)ccc(Cl)c1N 575721129 352901826 /nfs/dbraw/zinc/90/18/26/352901826.db2.gz XWZYMAMVDPRBJU-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN Nc1ccc(O)c(N)c1C(F)(F)F 575721511 352901828 /nfs/dbraw/zinc/90/18/28/352901828.db2.gz NKFXUOKTLXFKFV-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN CCOc1cc(O)c(OCC)cc1N 575721880 352901830 /nfs/dbraw/zinc/90/18/30/352901830.db2.gz YBXZIRQJSRAEHH-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN COc1ccc(Cl)c(OC)c1N 575722072 352901834 /nfs/dbraw/zinc/90/18/34/352901834.db2.gz DWAGDHCKFIRKDO-UHFFFAOYSA-N 0 0 187.626 1.939 10 0 ADAERN CCOc1c(N)cc(N)cc1Cl 575721071 352901838 /nfs/dbraw/zinc/90/18/38/352901838.db2.gz WJJFQTNKNUARJU-UHFFFAOYSA-N 0 0 186.642 1.903 10 0 ADAERN CCOc1ccc(OCC)c(O)c1N 575721313 352901842 /nfs/dbraw/zinc/90/18/42/352901842.db2.gz JSNOAYUWLLSRDC-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN CC(=O)c1cc(N)cc(Cl)c1N 575721112 352901844 /nfs/dbraw/zinc/90/18/44/352901844.db2.gz XIQNSSSZWDJBAI-UHFFFAOYSA-N 0 0 184.626 1.707 10 0 ADAERN CC(=O)c1c(N)ccc(N)c1C 575721979 352901858 /nfs/dbraw/zinc/90/18/58/352901858.db2.gz ALJGWWBXNLHUQB-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN Nc1cc(N)c(C(F)(F)F)cc1O 575721784 352901868 /nfs/dbraw/zinc/90/18/68/352901868.db2.gz UHOTYUCWQQDZAR-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN Nc1ccc(N)c(C(F)(F)F)c1O 575721556 352901874 /nfs/dbraw/zinc/90/18/74/352901874.db2.gz ONNHRXQQNKMVPN-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN Nc1cc(C(F)F)c(N)cc1F 575722210 352901879 /nfs/dbraw/zinc/90/18/79/352901879.db2.gz DUSBWLNRNKESTO-UHFFFAOYSA-N 0 0 176.141 1.928 10 0 ADAERN Nc1cc(N)c(F)c(C(F)F)c1 575722139 352901885 /nfs/dbraw/zinc/90/18/85/352901885.db2.gz BKCNPDVVXLKLAR-UHFFFAOYSA-N 0 0 176.141 1.928 10 0 ADAERN COc1c(N)cc(N)cc1Cl 575721156 352901887 /nfs/dbraw/zinc/90/18/87/352901887.db2.gz YFOWWTUTZLYKJL-UHFFFAOYSA-N 0 0 172.615 1.513 10 0 ADAERN CCOc1cc(N)c(OCC)c(O)c1 575721300 352901894 /nfs/dbraw/zinc/90/18/94/352901894.db2.gz JFQCIYVCZYSEMU-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN Nc1ccc(N)c(C(F)F)c1F 575722207 352901895 /nfs/dbraw/zinc/90/18/95/352901895.db2.gz DTTKTUOFESOGID-UHFFFAOYSA-N 0 0 176.141 1.928 10 0 ADAERN Nc1cc(C(F)(F)F)c(N)cc1O 575721272 352901903 /nfs/dbraw/zinc/90/19/03/352901903.db2.gz HMPKWXVXRCELBR-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN CC(=O)c1cc(N)c(C)cc1N 575721960 352901910 /nfs/dbraw/zinc/90/19/10/352901910.db2.gz AKBYBMGKRNCPKR-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN Nc1cc(O)c(N)c(C(F)(F)F)c1 575721808 352901916 /nfs/dbraw/zinc/90/19/16/352901916.db2.gz UUUJMWZUTGSOJR-UHFFFAOYSA-N 0 0 192.140 1.575 10 0 ADAERN CC(=O)c1c(N)cc(N)cc1F 575722168 352901918 /nfs/dbraw/zinc/90/19/18/352901918.db2.gz CVFHNKDNUNKZKA-UHFFFAOYSA-N 0 0 168.171 1.193 10 0 ADAERN Nc1cc(O)cc(N)c1Cl 575721142 352901920 /nfs/dbraw/zinc/90/19/20/352901920.db2.gz YACCTCMRXXCNGI-UHFFFAOYSA-N 0 0 158.588 1.210 10 0 ADAERN CC(=O)c1cc(N)cc(C)c1N 575722023 352901932 /nfs/dbraw/zinc/90/19/32/352901932.db2.gz APMHCOBAVIKGPY-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN Nc1ccc(N)c(C(F)F)c1O 575722243 352901935 /nfs/dbraw/zinc/90/19/35/352901935.db2.gz FHHZIYAONLGYCW-UHFFFAOYSA-N 0 0 174.150 1.494 10 0 ADAERN CC(=O)c1ccc(N)c(C)c1N 575722062 352901942 /nfs/dbraw/zinc/90/19/42/352901942.db2.gz AZEPCRFEEDBQJY-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN CC(=O)c1cc(Cl)c(N)cc1N 575721155 352901952 /nfs/dbraw/zinc/90/19/52/352901952.db2.gz YCFZJTKEMJQGKR-UHFFFAOYSA-N 0 0 184.626 1.707 10 0 ADAERN Nc1cc(N)c(C(F)F)cc1O 575722145 352901960 /nfs/dbraw/zinc/90/19/60/352901960.db2.gz BQIAGJVYUMLRLT-UHFFFAOYSA-N 0 0 174.150 1.494 10 0 ADAERN CCOc1cc(N)c(O)c(OCC)c1 575721508 352901971 /nfs/dbraw/zinc/90/19/71/352901971.db2.gz NGALXVVOCLMOQS-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN CCOc1cc(OCC)c(O)cc1N 575721832 352901974 /nfs/dbraw/zinc/90/19/74/352901974.db2.gz VPPLJZHRFDXERC-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN COc1ccc(N)c(C)c1N 575722074 352901983 /nfs/dbraw/zinc/90/19/83/352901983.db2.gz BDPZGLBVWKJSHT-UHFFFAOYSA-N 0 0 152.197 1.168 10 0 ADAERN CC(=O)c1c(N)ccc(N)c1F 575721945 352902004 /nfs/dbraw/zinc/90/20/04/352902004.db2.gz ADXZRFFNDHHQLV-UHFFFAOYSA-N 0 0 168.171 1.193 10 0 ADAERN CCOc1cc(N)cc(OCC)c1O 575721583 352902012 /nfs/dbraw/zinc/90/20/12/352902012.db2.gz PBXATLCBABMRNW-UHFFFAOYSA-N 0 0 197.234 1.772 10 0 ADAERN Nc1c(O)cc(F)cc1Cl 575721950 352902024 /nfs/dbraw/zinc/90/20/24/352902024.db2.gz AZVXKGVZPCDEPD-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN Cc1ccc(N)c(OC(F)F)c1O 575722415 352902473 /nfs/dbraw/zinc/90/24/73/352902473.db2.gz BLAGMSQHXNNQBR-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Nc1cc(C(F)F)c(N)cc1O 575722702 352902514 /nfs/dbraw/zinc/90/25/14/352902514.db2.gz LEZRUEZCYFNQTE-UHFFFAOYSA-N 0 0 174.150 1.494 10 0 ADAERN Cc1cc(OC(F)F)c(N)cc1O 575722379 352902517 /nfs/dbraw/zinc/90/25/17/352902517.db2.gz AOTZVYPOWWVXGW-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Nc1cc(O)cc(F)c1Cl 575722798 352902520 /nfs/dbraw/zinc/90/25/20/352902520.db2.gz UMQAAOXVHLOTBR-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN CC(=O)c1c(C)cc(N)cc1N 575722623 352902529 /nfs/dbraw/zinc/90/25/29/352902529.db2.gz HNLHVDBUILYAQQ-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN Cc1ccc(N)c(O)c1OC(F)F 575722876 352902531 /nfs/dbraw/zinc/90/25/31/352902531.db2.gz HXYNEWUAHHHCKZ-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN CC(=O)c1cc(C)c(N)cc1N 575722707 352902536 /nfs/dbraw/zinc/90/25/36/352902536.db2.gz LOMZJNQGZYFOHG-UHFFFAOYSA-N 0 0 164.208 1.362 10 0 ADAERN Cc1ccc(N)c(OC(F)F)c1N 575723042 352902538 /nfs/dbraw/zinc/90/25/38/352902538.db2.gz NBHPGTHLEWJKBL-UHFFFAOYSA-N 0 0 188.177 1.761 10 0 ADAERN Cc1c(N)ccc(N)c1OC(F)F 575723053 352902540 /nfs/dbraw/zinc/90/25/40/352902540.db2.gz NWAZSKBFJKOJSI-UHFFFAOYSA-N 0 0 188.177 1.761 10 0 ADAERN COc1cc(Cl)cc(N)c1OC 575722554 352902545 /nfs/dbraw/zinc/90/25/45/352902545.db2.gz OWVJTNIRGQNJOM-UHFFFAOYSA-N 0 0 187.626 1.939 10 0 ADAERN Nc1cc(C(F)F)cc(N)c1F 575723063 352902569 /nfs/dbraw/zinc/90/25/69/352902569.db2.gz OBHGARLZGOIERE-UHFFFAOYSA-N 0 0 176.141 1.928 10 0 ADAERN Cc1c(OC(F)F)ccc(O)c1N 575722950 352902573 /nfs/dbraw/zinc/90/25/73/352902573.db2.gz ITGOTIIWMQGSMH-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Cc1cc(OC(F)F)cc(N)c1O 575722803 352902578 /nfs/dbraw/zinc/90/25/78/352902578.db2.gz GHLWKKIHLSQXGM-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Cc1cc(N)c(O)c(OC(F)F)c1 575722527 352902579 /nfs/dbraw/zinc/90/25/79/352902579.db2.gz DMPHOLBTVMQEOD-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Cc1cc(N)c(O)cc1OC(F)F 575722494 352902582 /nfs/dbraw/zinc/90/25/82/352902582.db2.gz DFXNQVBGHKJASF-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Cc1cc(N)cc(N)c1OC(F)F 575722659 352902586 /nfs/dbraw/zinc/90/25/86/352902586.db2.gz IUTRVMVLAOLLMI-UHFFFAOYSA-N 0 0 188.177 1.761 10 0 ADAERN Nc1cc(N)c(C(F)F)cc1F 575723029 352902587 /nfs/dbraw/zinc/90/25/87/352902587.db2.gz MNERCTZUMQAZMF-UHFFFAOYSA-N 0 0 176.141 1.928 10 0 ADAERN Cc1cc(OC(F)F)c(O)cc1N 575722404 352902591 /nfs/dbraw/zinc/90/25/91/352902591.db2.gz BDBADCPRYGHCDZ-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN CC(=O)c1cc(N)cc(N)c1F 575722656 352902594 /nfs/dbraw/zinc/90/25/94/352902594.db2.gz IOBLUKQGGFRGNB-UHFFFAOYSA-N 0 0 168.171 1.193 10 0 ADAERN Cc1c(OC(F)F)ccc(N)c1O 575722401 352902596 /nfs/dbraw/zinc/90/25/96/352902596.db2.gz AYGSURNWVZFHGV-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Nc1c(O)ccc(F)c1Cl 575722997 352902599 /nfs/dbraw/zinc/90/25/99/352902599.db2.gz YIRYBNFSVFAWSC-UHFFFAOYSA-N 0 0 161.563 1.767 10 0 ADAERN Nc1ccc(N)c(OC(F)F)c1O 575722561 352902601 /nfs/dbraw/zinc/90/26/01/352902601.db2.gz GDQVQPIIADNWHM-UHFFFAOYSA-N 0 0 190.149 1.158 10 0 ADAERN Cc1c(O)ccc(OC(F)F)c1N 575723671 352902889 /nfs/dbraw/zinc/90/28/89/352902889.db2.gz SPCFLENSGYJUTQ-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Cc1cc(O)c(N)cc1OC(F)F 575723807 352902938 /nfs/dbraw/zinc/90/29/38/352902938.db2.gz XYTHFORFHFEIBI-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Nc1cc(N)c(OC(F)F)cc1O 575723560 352902918 /nfs/dbraw/zinc/90/29/18/352902918.db2.gz XTTIQCRXAUVLKS-UHFFFAOYSA-N 0 0 190.149 1.158 10 0 ADAERN Cc1cc(OC(F)F)c(N)cc1N 575723562 352902921 /nfs/dbraw/zinc/90/29/21/352902921.db2.gz XUJNLLYDTZGEFR-UHFFFAOYSA-N 0 0 188.177 1.761 10 0 ADAERN CCOC(=O)c1c(N)cc(F)cc1O 575724279 352902932 /nfs/dbraw/zinc/90/29/32/352902932.db2.gz DHOPDGITTXAOGT-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN Nc1cc(C(F)F)cc(N)c1O 575723649 352902953 /nfs/dbraw/zinc/90/29/53/352902953.db2.gz ZSJNBYFUHGNKTI-UHFFFAOYSA-N 0 0 174.150 1.494 10 0 ADAERN Cc1cc(O)c(N)c(OC(F)F)c1 575723200 352902957 /nfs/dbraw/zinc/90/29/57/352902957.db2.gz LTHQWAHHJNMQLH-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN CCOC(=O)c1c(C)cc(N)cc1O 575724389 352902977 /nfs/dbraw/zinc/90/29/77/352902977.db2.gz FGFZJZAFMVOYHJ-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN Cc1cc(O)cc(N)c1OC(F)F 575723594 352902995 /nfs/dbraw/zinc/90/29/95/352902995.db2.gz QZANUWGIKPYXTG-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN Nc1cc(N)c(C(F)F)c(F)c1 575723138 352903004 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352903336 /nfs/dbraw/zinc/90/33/36/352903336.db2.gz QRLGVJGXERYNHM-UHFFFAOYSA-N 0 0 180.207 1.062 10 0 ADAERN Cc1cc(N)c(OC(F)F)cc1O 575723648 352903341 /nfs/dbraw/zinc/90/33/41/352903341.db2.gz SABNHXFUXAPSIW-UHFFFAOYSA-N 0 0 189.161 1.884 10 0 ADAERN COc1c(N)ccc(C(C)=O)c1N 575723337 352903345 /nfs/dbraw/zinc/90/33/45/352903345.db2.gz QZOQZTUWJQAMHG-UHFFFAOYSA-N 0 0 180.207 1.062 10 0 ADAERN CCc1cc(N)c(OC)c(O)c1 575724832 352903486 /nfs/dbraw/zinc/90/34/86/352903486.db2.gz DQWUFHGATGVJPA-UHFFFAOYSA-N 0 0 167.208 1.545 10 0 ADAERN CCOC(=O)c1cc(N)cc(F)c1N 575725616 352903489 /nfs/dbraw/zinc/90/34/89/352903489.db2.gz HFGFZRAQISKSMY-UHFFFAOYSA-N 0 0 198.197 1.167 10 0 ADAERN CCc1cc(N)c(OC)cc1O 575725304 352903500 /nfs/dbraw/zinc/90/35/00/352903500.db2.gz JUSQMLFUTQIECQ-UHFFFAOYSA-N 0 0 167.208 1.545 10 0 ADAERN CCOC(=O)c1cc(C)c(N)cc1F 575724691 352903504 /nfs/dbraw/zinc/90/35/04/352903504.db2.gz PUMZDIZYSUXNRV-UHFFFAOYSA-N 0 0 197.209 1.893 10 0 ADAERN CCOC(=O)c1c(C)cc(O)cc1N 575724516 352903509 /nfs/dbraw/zinc/90/35/09/352903509.db2.gz GPNDKXVQHRNQML-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCc1c(OC)ccc(O)c1N 575724879 352903518 /nfs/dbraw/zinc/90/35/18/352903518.db2.gz FQAQSLZHWYDWOQ-UHFFFAOYSA-N 0 0 167.208 1.545 10 0 ADAERN CCc1cc(O)c(C)cc1N 575725383 352903522 /nfs/dbraw/zinc/90/35/22/352903522.db2.gz KMOQGTZAYBKFBF-UHFFFAOYSA-N 0 0 151.209 1.845 10 0 ADAERN CCOC(=O)c1cc(O)cc(N)c1C 575725675 352903523 /nfs/dbraw/zinc/90/35/23/352903523.db2.gz UGHIOQIPGZMXGQ-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)c1ccc(N)c(O)c1C 575724558 352903534 /nfs/dbraw/zinc/90/35/34/352903534.db2.gz IYKDSHGMUJZBEF-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)c1c(O)cc(N)cc1F 575725397 352903539 /nfs/dbraw/zinc/90/35/39/352903539.db2.gz XVOUSCFUBJBMJQ-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1cc(C)c(N)cc1O 575724409 352903542 /nfs/dbraw/zinc/90/35/42/352903542.db2.gz FXSZABBBDNIYDZ-UHFFFAOYSA-N 0 0 195.218 1.460 10 0 ADAERN CCOC(=O)c1cc(F)cc(O)c1N 575724703 352903545 /nfs/dbraw/zinc/90/35/45/352903545.db2.gz QKJPBNKDPGNNQP-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1ccc(N)c(O)c1F 575725292 352903553 /nfs/dbraw/zinc/90/35/53/352903553.db2.gz WDWWMUUEGMCUMB-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN CCOC(=O)c1cc(F)c(O)cc1N 575724480 352903563 /nfs/dbraw/zinc/90/35/63/352903563.db2.gz KBMBUHQDYNNOPC-UHFFFAOYSA-N 0 0 199.181 1.290 10 0 ADAERN Cc1ccc(F)c(O)c1N 575725858 352903569 /nfs/dbraw/zinc/90/35/69/352903569.db2.gz HTECTKGXURPHRV-UHFFFAOYSA-N 0 0 141.145 1.422 10 0 ADAERN CCOC(=O)c1c(C)cc(N)cc1N 575725145 352903584 /nfs/dbraw/zinc/90/35/84/352903584.db2.gz FWLFMZSRFKYPLS-UHFFFAOYSA-N 0 0 194.234 1.336 10 0 ADAERN CCc1cc(C)c(O)cc1N 575724808 352903589 /nfs/dbraw/zinc/90/35/89/352903589.db2.gz DBWIBQSKHFNLHC-UHFFFAOYSA-N 0 0 151.209 1.845 10 0 ADAERN Cc1ccc(F)c(N)c1O 575725770 352903595 /nfs/dbraw/zinc/90/35/95/352903595.db2.gz GYHNDCKLHSEXJT-UHFFFAOYSA-N 0 0 141.145 1.422 10 0 ADAERN COc1ccc(F)c(N)c1O 575725238 352903623 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352905968 /nfs/dbraw/zinc/90/59/68/352905968.db2.gz PGWUVHWAVPTTEQ-UHFFFAOYSA-N 0 0 193.246 1.601 10 0 ADAERN COC(=O)Cc1cc(C)c(C)cc1N 575731006 352905971 /nfs/dbraw/zinc/90/59/71/352905971.db2.gz XKXVJPHGHNUOBO-UHFFFAOYSA-N 0 0 193.246 1.601 10 0 ADAERN COC(=O)Cc1cc(N)cc(C)c1C 575730885 352905986 /nfs/dbraw/zinc/90/59/86/352905986.db2.gz LMZCEBGSDORHMD-UHFFFAOYSA-N 0 0 193.246 1.601 10 0 ADAERN COC(=O)Cc1c(C)ccc(N)c1C 575730759 352906004 /nfs/dbraw/zinc/90/60/04/352906004.db2.gz DMJWQLUOXZGBIV-UHFFFAOYSA-N 0 0 193.246 1.601 10 0 ADAERN COC(=O)Cc1cc(C)c(N)cc1C 575731009 352906026 /nfs/dbraw/zinc/90/60/26/352906026.db2.gz YQJCNPLHOALGEP-UHFFFAOYSA-N 0 0 193.246 1.601 10 0 ADAERN COC(=O)Cc1c(C)ccc(C)c1N 575731010 352906029 /nfs/dbraw/zinc/90/60/29/352906029.db2.gz YSBHXLDRHNHGRK-UHFFFAOYSA-N 0 0 193.246 1.601 10 0 ADAERN CCOC(=O)/C(=C\[N+](=O)[O-])CC 584603186 352906294 /nfs/dbraw/zinc/90/62/94/352906294.db2.gz XSTIIZYTEPFCAD-WAYWQWQTSA-N 0 0 173.168 1.120 10 0 ADAERN 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371639091 /nfs/dbraw/zinc/63/90/91/371639091.db2.gz MMTCTSLQNOZPGL-UHFFFAOYSA-N 0 0 180.207 1.057 10 0 ADAERN OCCCc1cnc2ccccn12 60004901 371640007 /nfs/dbraw/zinc/64/00/07/371640007.db2.gz VYUCPNYRFYZFFM-UHFFFAOYSA-N 0 0 176.219 1.259 10 0 ADAERN CCOc1ccc(O)cc1N 60040483 371640225 /nfs/dbraw/zinc/64/02/25/371640225.db2.gz NWTOIZVQDSJDFA-UHFFFAOYSA-N 0 0 153.181 1.373 10 0 ADAERN C[C@@H](NC(N)=S)c1nccs1 70732207 371644681 /nfs/dbraw/zinc/64/46/81/371644681.db2.gz QATYHJNGBGFPGW-SCSAIBSYSA-N 0 0 187.293 1.037 10 0 ADAERN C[C@@H](c1nccs1)N1CCC(=O)C1 70733806 371644695 /nfs/dbraw/zinc/64/46/95/371644695.db2.gz RIWKRNBQLCHWRV-ZETCQYMHSA-N 0 0 196.275 1.479 10 0 ADAERN Nc1ccccc1C(=O)c1cc[nH]c1 70671547 371644716 /nfs/dbraw/zinc/64/47/16/371644716.db2.gz GOADLGHOALTXMG-UHFFFAOYSA-N 0 0 186.214 1.828 10 0 ADAERN C[C@H](NC(N)=S)c1nccs1 70732206 371644897 /nfs/dbraw/zinc/64/48/97/371644897.db2.gz QATYHJNGBGFPGW-BYPYZUCNSA-N 0 0 187.293 1.037 10 0 ADAERN COC(=O)Nc1ccc(O)cc1C 70735578 371645065 /nfs/dbraw/zinc/64/50/65/371645065.db2.gz DYEKAJCFFYEGQN-UHFFFAOYSA-N 0 0 181.191 1.879 10 0 ADAERN Nc1ccc(C(=O)c2cc[nH]c2)cc1 70671546 371645131 /nfs/dbraw/zinc/64/51/31/371645131.db2.gz AGVDFXNUOBOLMM-UHFFFAOYSA-N 0 0 186.214 1.828 10 0 ADAERN C[C@H](c1nccs1)N1CCC(=O)C1 70733807 371645187 /nfs/dbraw/zinc/64/51/87/371645187.db2.gz RIWKRNBQLCHWRV-SSDOTTSWSA-N 0 0 196.275 1.479 10 0 ADAERN Nc1ccc(C(=O)c2ccc[nH]2)cc1 70671499 371645354 /nfs/dbraw/zinc/64/53/54/371645354.db2.gz CAGILHNCZCVCML-UHFFFAOYSA-N 0 0 186.214 1.828 10 0 ADAERN CCNC(=O)Nc1ccc(O)cc1C 70735585 371645403 /nfs/dbraw/zinc/64/54/03/371645403.db2.gz COCRTTKCUWFISK-UHFFFAOYSA-N 0 0 194.234 1.842 10 0 ADAERN Cc1cc(O)ccc1NC(N)=O 70735574 371645559 /nfs/dbraw/zinc/64/55/59/371645559.db2.gz XRHWVSVHWPTPBM-UHFFFAOYSA-N 0 0 166.180 1.191 10 0 ADAERN CC(=O)[C@@H](C)c1nc(C(C)C)no1 70996851 371647040 /nfs/dbraw/zinc/64/70/40/371647040.db2.gz TWPGOHZMTVRXOL-ZCFIWIBFSA-N 0 0 182.223 1.886 10 0 ADAERN CCc1noc([C@@H]2CCCC2=O)n1 70996908 371647068 /nfs/dbraw/zinc/64/70/68/371647068.db2.gz NGJRCSDRDOSWQA-ZCFIWIBFSA-N 0 0 180.207 1.469 10 0 ADAERN CCc1noc([C@H]2CCCC2=O)n1 70996909 371647074 /nfs/dbraw/zinc/64/70/74/371647074.db2.gz NGJRCSDRDOSWQA-LURJTMIESA-N 0 0 180.207 1.469 10 0 ADAERN CC[C@@H](c1nc(C)no1)[C@@H](C)O 70998024 371647085 /nfs/dbraw/zinc/64/70/85/371647085.db2.gz CVDJPWPJYVGZHW-IYSWYEEDSA-N 0 0 170.212 1.252 10 0 ADAERN C[C@H](O)Cc1nc(C2CCCC2)no1 70997465 371647118 /nfs/dbraw/zinc/64/71/18/371647118.db2.gz JANDCXJVQSENFQ-ZETCQYMHSA-N 0 0 196.250 1.651 10 0 ADAERN C[C@@H](O)[C@@H](C)c1nc(C(C)(C)C)no1 70997582 371647128 /nfs/dbraw/zinc/64/71/28/371647128.db2.gz DBPLQJXRNWQGFR-RNFRBKRXSA-N 0 0 198.266 1.851 10 0 ADAERN CC(=O)[C@@H](C)c1nc(C2CC2)no1 70996891 371647140 /nfs/dbraw/zinc/64/71/40/371647140.db2.gz QPMXIGHKAGOZDS-RXMQYKEDSA-N 0 0 180.207 1.640 10 0 ADAERN COCc1noc([C@H]2CCCC2=O)n1 70997352 371647147 /nfs/dbraw/zinc/64/71/47/371647147.db2.gz PTQVKFBQJVAIDC-LURJTMIESA-N 0 0 196.206 1.053 10 0 ADAERN CC(=O)[C@H](C)c1nc(C(C)C)no1 70996850 371647165 /nfs/dbraw/zinc/64/71/65/371647165.db2.gz TWPGOHZMTVRXOL-LURJTMIESA-N 0 0 182.223 1.886 10 0 ADAERN CC[C@H](c1nc(C)no1)[C@H](C)O 70998030 371647173 /nfs/dbraw/zinc/64/71/73/371647173.db2.gz CVDJPWPJYVGZHW-FSPLSTOPSA-N 0 0 170.212 1.252 10 0 ADAERN CC(=O)c1nc(CC(F)(F)F)no1 70997308 371647178 /nfs/dbraw/zinc/64/71/78/371647178.db2.gz JAUQTSVUTLMLIP-UHFFFAOYSA-N 0 0 194.112 1.377 10 0 ADAERN CCc1noc([C@@H]2CCCCC2=O)n1 70996924 371647187 /nfs/dbraw/zinc/64/71/87/371647187.db2.gz SGTSNCWWQVPXKZ-SSDOTTSWSA-N 0 0 194.234 1.859 10 0 ADAERN Cc1noc([C@H]2CCC[C@H]2O)n1 70998005 371647195 /nfs/dbraw/zinc/64/71/95/371647195.db2.gz ZEPRFXUWSJILFR-NKWVEPMBSA-N 0 0 168.196 1.006 10 0 ADAERN CC(=O)[C@H](C)c1nc(C2CC2)no1 70996893 371647208 /nfs/dbraw/zinc/64/72/08/371647208.db2.gz QPMXIGHKAGOZDS-YFKPBYRVSA-N 0 0 180.207 1.640 10 0 ADAERN Cc1noc(C[C@H](O)C(C)(C)C)n1 70998042 371647214 /nfs/dbraw/zinc/64/72/14/371647214.db2.gz 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/nfs/dbraw/zinc/64/72/78/371647278.db2.gz MFUAHJIRCIUVSM-YFKPBYRVSA-N 0 0 168.196 1.325 10 0 ADAERN CC(=O)c1nc(C2CC2)no1 70996902 371647292 /nfs/dbraw/zinc/64/72/92/371647292.db2.gz PSBRZPCMXMLNEN-UHFFFAOYSA-N 0 0 152.153 1.150 10 0 ADAERN CCCc1noc([C@H]2CCCC2=O)n1 70997008 371647298 /nfs/dbraw/zinc/64/72/98/371647298.db2.gz NDIMYKKERPNHRG-ZETCQYMHSA-N 0 0 194.234 1.859 10 0 ADAERN Cc1noc([C@@H]2CCCCC[C@@H]2O)n1 70997987 371647319 /nfs/dbraw/zinc/64/73/19/371647319.db2.gz DBYCEIBJYXWMAL-BDAKNGLRSA-N 0 0 196.250 1.787 10 0 ADAERN C[C@@H](O)Cc1nc(C2CCCC2)no1 70997468 371647326 /nfs/dbraw/zinc/64/73/26/371647326.db2.gz JANDCXJVQSENFQ-SSDOTTSWSA-N 0 0 196.250 1.651 10 0 ADAERN C[C@H](O)[C@H](C)c1nc(C(C)(C)C)no1 70997590 371647335 /nfs/dbraw/zinc/64/73/35/371647335.db2.gz DBPLQJXRNWQGFR-BQBZGAKWSA-N 0 0 198.266 1.851 10 0 ADAERN Cc1noc([C@@H]2CCC[C@@H]2O)n1 70997998 371647376 /nfs/dbraw/zinc/64/73/76/371647376.db2.gz ZEPRFXUWSJILFR-RQJHMYQMSA-N 0 0 168.196 1.006 10 0 ADAERN Cc1noc([C@@H]2CCC[C@H]2O)n1 70998001 371647383 /nfs/dbraw/zinc/64/73/83/371647383.db2.gz ZEPRFXUWSJILFR-RNFRBKRXSA-N 0 0 168.196 1.006 10 0 ADAERN Cc1noc([C@H]2CCC[C@@H]2O)n1 70998000 371647392 /nfs/dbraw/zinc/64/73/92/371647392.db2.gz ZEPRFXUWSJILFR-BQBZGAKWSA-N 0 0 168.196 1.006 10 0 ADAERN CCCc1noc(C(C)=O)n1 70997049 371647399 /nfs/dbraw/zinc/64/73/99/371647399.db2.gz NUQNTHZWXKXVJD-UHFFFAOYSA-N 0 0 154.169 1.225 10 0 ADAERN CC[C@@H](c1nc(C)no1)[C@H](C)O 70998029 371647407 /nfs/dbraw/zinc/64/74/07/371647407.db2.gz CVDJPWPJYVGZHW-CAHLUQPWSA-N 0 0 170.212 1.252 10 0 ADAERN COCc1noc([C@@H]2CCCC2=O)n1 70997349 371647412 /nfs/dbraw/zinc/64/74/12/371647412.db2.gz PTQVKFBQJVAIDC-ZCFIWIBFSA-N 0 0 196.206 1.053 10 0 ADAERN CCCc1noc([C@@H]2CCCC2=O)n1 70997006 371647421 /nfs/dbraw/zinc/64/74/21/371647421.db2.gz NDIMYKKERPNHRG-SSDOTTSWSA-N 0 0 194.234 1.859 10 0 ADAERN Cc1noc([C@@H]2CCCCC[C@H]2O)n1 70997992 371647445 /nfs/dbraw/zinc/64/74/45/371647445.db2.gz DBYCEIBJYXWMAL-RKDXNWHRSA-N 0 0 196.250 1.787 10 0 ADAERN CC(=O)c1nc(C(C)C)no1 70996860 371647453 /nfs/dbraw/zinc/64/74/53/371647453.db2.gz OMJQXUIZPZSRFC-UHFFFAOYSA-N 0 0 154.169 1.396 10 0 ADAERN C[C@H](c1nc(C(C)(C)C)no1)[C@@H](C)O 70997584 371647479 /nfs/dbraw/zinc/64/74/79/371647479.db2.gz DBPLQJXRNWQGFR-NKWVEPMBSA-N 0 0 198.266 1.851 10 0 ADAERN CC[C@H](c1nc(C)no1)[C@@H](C)O 70998027 371647487 /nfs/dbraw/zinc/64/74/87/371647487.db2.gz CVDJPWPJYVGZHW-VDTYLAMSSA-N 0 0 170.212 1.252 10 0 ADAERN Cc1noc([C@H]2CCCCC[C@@H]2O)n1 70997989 371647502 /nfs/dbraw/zinc/64/75/02/371647502.db2.gz DBYCEIBJYXWMAL-IUCAKERBSA-N 0 0 196.250 1.787 10 0 ADAERN CCc1noc([C@H]2CCCCC2=O)n1 70996925 371647525 /nfs/dbraw/zinc/64/75/25/371647525.db2.gz SGTSNCWWQVPXKZ-ZETCQYMHSA-N 0 0 194.234 1.859 10 0 ADAERN Oc1cccc2c1[C@@H](O)CC2 75538706 371648593 /nfs/dbraw/zinc/64/85/93/371648593.db2.gz LOAOFROQFAJMEY-QMMMGPOBSA-N 0 0 150.177 1.372 10 0 ADAERN C[C@@H]1CNc2cccc(O)c21 75538390 371648840 /nfs/dbraw/zinc/64/88/40/371648840.db2.gz VWKHFAKBJPIQGI-ZCFIWIBFSA-N 0 0 149.193 1.921 10 0 ADAERN O=C(c1cccnc1)c1cncs1 87572689 371653295 /nfs/dbraw/zinc/65/32/95/371653295.db2.gz MGJNVLCJLHVRSV-UHFFFAOYSA-N 0 0 190.227 1.769 10 0 ADAERN COC(=N)c1cscn1 87595738 371653357 /nfs/dbraw/zinc/65/33/57/371653357.db2.gz ANZWWGDXKYZKSU-UHFFFAOYSA-N 0 0 142.183 1.115 10 0 ADAERN CCNc1cc(OC)ccc1N 87543737 371654230 /nfs/dbraw/zinc/65/42/30/371654230.db2.gz HCJBZTPXCAGEML-UHFFFAOYSA-N 0 0 166.224 1.709 10 0 ADAERN O=Cc1ccc2[nH]ccc(=O)c2c1 91306004 371655250 /nfs/dbraw/zinc/65/52/50/371655250.db2.gz NGBNCJBNKRTKNZ-UHFFFAOYSA-N 0 0 173.171 1.341 10 0 ADAERN O=[N+]([O-])/C=C\c1ccc(CO)o1 91355857 371655270 /nfs/dbraw/zinc/65/52/70/371655270.db2.gz UDCPSDKVNPCQAF-ARJAWSKDSA-N 0 0 169.136 1.019 10 0 ADAERN O[C@@H]1CCc2ccccc2CO1 91356235 371655349 /nfs/dbraw/zinc/65/53/49/371655349.db2.gz FYEYXBPHHVHLGE-JTQLQIEISA-N 0 0 164.204 1.468 10 0 ADAERN CCON1CCC(CCO)CC1 91361992 371655764 /nfs/dbraw/zinc/65/57/64/371655764.db2.gz MLTAOYBDTHIXKS-UHFFFAOYSA-N 0 0 173.256 1.032 10 0 ADAERN O=c1cc(SC(F)(F)F)cc[nH]1 91252873 371656050 /nfs/dbraw/zinc/65/60/50/371656050.db2.gz XRSHKXVFQFGGOA-UHFFFAOYSA-N 0 0 195.165 1.987 10 0 ADAERN O[C@H]1CCc2ccccc2CO1 91356234 371656168 /nfs/dbraw/zinc/65/61/68/371656168.db2.gz FYEYXBPHHVHLGE-SNVBAGLBSA-N 0 0 164.204 1.468 10 0 ADAERN CC(C)(O)C(/C=C\n1ccnc1)=C\F 91351588 371656175 /nfs/dbraw/zinc/65/61/75/371656175.db2.gz QSSCDDCIELUJFT-XORISBCWSA-N 0 0 196.225 1.978 10 0 ADAERN C[C@@H](O[S@](C)(=O)=S)C(C)(C)C 97974105 371657126 /nfs/dbraw/zinc/65/71/26/371657126.db2.gz YOAXPOILRZHYDA-KBUNVGBDSA-N 0 0 196.337 1.729 10 0 ADAERN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(N)=O)o1 98054098 371657312 /nfs/dbraw/zinc/65/73/12/371657312.db2.gz MZPQEFGILAVWSC-IAVIKXIUSA-N 0 0 191.230 1.902 10 0 ADAERN CC(C)=CSC[C@@H]([NH3+])C(=O)[O-] 98095745 371657445 /nfs/dbraw/zinc/65/74/45/371657445.db2.gz KIYXABDWQXDYTJ-ZCFIWIBFSA-N 0 0 175.253 1.055 10 0 ADAERN O=Cc1[nH]c(C2CC2)nc1Cl 98103227 371658324 /nfs/dbraw/zinc/65/83/24/371658324.db2.gz OUNONSVDPKFKJO-UHFFFAOYSA-N 0 0 170.599 1.753 10 0 ADAERN CCOCc1nc(N)c(C)s1 131913083 371662690 /nfs/dbraw/zinc/66/26/90/371662690.db2.gz YJQMTFICNDRPFJ-UHFFFAOYSA-N 0 0 172.253 1.570 10 0 ADAERN Cc1sc([C@H]2CCOC2)nc1N 131911610 371662762 /nfs/dbraw/zinc/66/27/62/371662762.db2.gz BBJHLFDVKXBZEF-LURJTMIESA-N 0 0 184.264 1.538 10 0 ADAERN Nc1cccc(C2=NC(=O)N=N2)c1 146724591 371664278 /nfs/dbraw/zinc/66/42/78/371664278.db2.gz JOUHQLNCCKFRIN-UHFFFAOYSA-N 0 0 174.163 1.601 10 0 ADAERN CO[C@H](c1nc(C)cc(N)n1)C(C)C 158466214 371667642 /nfs/dbraw/zinc/66/76/42/371667642.db2.gz UTSNQGKWJRPRJI-VIFPVBQESA-N 0 0 195.266 1.711 10 0 ADAERN CO[C@@H](c1nc(C)cc(N)n1)C(C)C 158466071 371667708 /nfs/dbraw/zinc/66/77/08/371667708.db2.gz UTSNQGKWJRPRJI-SECBINFHSA-N 0 0 195.266 1.711 10 0 ADAERN CC[C@H](C)C(=O)c1csnn1 161462106 371672052 /nfs/dbraw/zinc/67/20/52/371672052.db2.gz AYJBUBMBPGDORB-YFKPBYRVSA-N 0 0 170.237 1.767 10 0 ADAERN CC[C@@H](C)C(=O)c1csnn1 161461997 371672077 /nfs/dbraw/zinc/67/20/77/371672077.db2.gz AYJBUBMBPGDORB-RXMQYKEDSA-N 0 0 170.237 1.767 10 0 ADAERN C[C@H](Nc1nccc(N)n1)C1CC1 161459207 371672129 /nfs/dbraw/zinc/67/21/29/371672129.db2.gz HUBILCUJEKITFL-LURJTMIESA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H](Nc1nccc(N)n1)C1CC1 161459338 371672196 /nfs/dbraw/zinc/67/21/96/371672196.db2.gz HUBILCUJEKITFL-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN CCOc1ccc(NN)cc1CC 164880856 371675030 /nfs/dbraw/zinc/67/50/30/371675030.db2.gz PDXMDWAHDWEMSY-UHFFFAOYSA-N 0 0 180.251 1.933 10 0 ADAERN O[C@H]1C[C@@H](c2ccccc2)CCO1 165020780 371676951 /nfs/dbraw/zinc/67/69/51/371676951.db2.gz BEMGHXANWUIWGQ-WDEREUQCSA-N 0 0 178.231 1.899 10 0 ADAERN C/C=C\C[C@H](C)[C@@H](C)O 165386134 371677817 /nfs/dbraw/zinc/67/78/17/371677817.db2.gz LOMMPXSIOHUESC-GBSWACPJSA-N 0 0 128.215 1.970 10 0 ADAERN C[C@@H]1C[C@@H](O)[C@@H](CO)C(C)(C)C1 165481826 371678157 /nfs/dbraw/zinc/67/81/57/371678157.db2.gz KLIOTQVQXWHRED-IWSPIJDZSA-N 0 0 172.268 1.412 10 0 ADAERN CC(=O)Sc1nc(C)cnc1C 165472471 371678425 /nfs/dbraw/zinc/67/84/25/371678425.db2.gz OBPVWAWDKHSWNC-UHFFFAOYSA-N 0 0 182.248 1.732 10 0 ADAERN COC1=CCc2c(ccn2C)C1 165403214 371678471 /nfs/dbraw/zinc/67/84/71/371678471.db2.gz IQVOVQBNEMIRGG-UHFFFAOYSA-N 0 0 163.220 1.654 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H](CO)C(C)(C)C1 165482078 371678503 /nfs/dbraw/zinc/67/85/03/371678503.db2.gz KLIOTQVQXWHRED-HLTSFMKQSA-N 0 0 172.268 1.412 10 0 ADAERN O=Cc1ccn(Cc2ccco2)c1 165474693 371678543 /nfs/dbraw/zinc/67/85/43/371678543.db2.gz QHMAVTMJOHFHAT-UHFFFAOYSA-N 0 0 175.187 1.942 10 0 ADAERN Cc1ccc(OCC[C@H](C)O)cn1 165782954 371679116 /nfs/dbraw/zinc/67/91/16/371679116.db2.gz UVMZAMUPNAXSPD-VIFPVBQESA-N 0 0 181.235 1.540 10 0 ADAERN Cc1ccc(OCC[C@@H](C)O)cn1 165782826 371679664 /nfs/dbraw/zinc/67/96/64/371679664.db2.gz UVMZAMUPNAXSPD-SECBINFHSA-N 0 0 181.235 1.540 10 0 ADAERN CCCNc1nc(N)cc(Cl)n1 165545322 371679907 /nfs/dbraw/zinc/67/99/07/371679907.db2.gz FKRSOEALOKAPKF-UHFFFAOYSA-N 0 0 186.646 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C/C=C/CNC(=O)[C@@H](C)CC 169182244 371685042 /nfs/dbraw/zinc/68/50/42/371685042.db2.gz NPUOYJGONIMLOS-JQTRYQTASA-N 0 0 155.241 1.725 10 0 ADAERN C/C=C/C=C\CCCO 195760293 371690277 /nfs/dbraw/zinc/69/02/77/371690277.db2.gz YGBJEJWGTXEPQB-IAROGAJJSA-N 0 0 126.199 1.891 10 0 ADAERN C[C@@]1(O)C=CCCCC1 196224777 371693396 /nfs/dbraw/zinc/69/33/96/371693396.db2.gz VHNMJPQCZLNTQK-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN c1cc([C@H]2COCO2)ccn1 196263312 371693413 /nfs/dbraw/zinc/69/34/13/371693413.db2.gz BIXQHIKKGBTASB-MRVPVSSYSA-N 0 0 151.165 1.127 10 0 ADAERN c1ccc([C@@H]2COCO2)nc1 196263321 371693435 /nfs/dbraw/zinc/69/34/35/371693435.db2.gz GLRHXKULOJKUTA-QMMMGPOBSA-N 0 0 151.165 1.127 10 0 ADAERN C[C@H](O)[C@H](O)/C=C/c1ccccc1 196209985 371693621 /nfs/dbraw/zinc/69/36/21/371693621.db2.gz GLNQFDQDPXHTRK-PRXIFDQHSA-N 0 0 178.231 1.442 10 0 ADAERN CNC(=O)c1cccc2c1O[C@@H](C)C2 196369016 371694492 /nfs/dbraw/zinc/69/44/92/371694492.db2.gz KLUNMXZFJDTDKQ-ZETCQYMHSA-N 0 0 191.230 1.370 10 0 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PADRFIOPYGPSDW-ARJAWSKDSA-N 0 0 112.172 1.501 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 200374515 371700949 /nfs/dbraw/zinc/70/09/49/371700949.db2.gz JVULLTWHNXNGSK-BWZBUEFSSA-N 0 0 154.209 1.596 10 0 ADAERN O=Cc1ncccc1-c1ccccn1 200374503 371701077 /nfs/dbraw/zinc/70/10/77/371701077.db2.gz IQVMRNNCSFHYEH-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN Cc1coc([Si](C)(C)C)c1C=O 200396986 371701084 /nfs/dbraw/zinc/70/10/84/371701084.db2.gz LJLBJLLTUCIXLK-UHFFFAOYSA-N 0 0 182.295 1.946 10 0 ADAERN CC[C@@H](CC(N)=O)C(C)C 200662571 371701786 /nfs/dbraw/zinc/70/17/86/371701786.db2.gz GQUAAWHEDGWFOD-ZETCQYMHSA-N 0 0 143.230 1.544 10 0 ADAERN CC[C@H](CC(N)=O)C(C)C 200662606 371701883 /nfs/dbraw/zinc/70/18/83/371701883.db2.gz GQUAAWHEDGWFOD-SSDOTTSWSA-N 0 0 143.230 1.544 10 0 ADAERN CC1CN(C(=O)c2ccccn2)C1 200903895 371702586 /nfs/dbraw/zinc/70/25/86/371702586.db2.gz QSOMDGJOIVVCJM-UHFFFAOYSA-N 0 0 176.219 1.174 10 0 ADAERN CCc1ccc(CO)c(F)c1 203722073 371705019 /nfs/dbraw/zinc/70/50/19/371705019.db2.gz XQSPTOHTZADBNC-UHFFFAOYSA-N 0 0 154.184 1.880 10 0 ADAERN CC(C)(C)NC(=O)C(F)=C(F)F 205046063 371705591 /nfs/dbraw/zinc/70/55/91/371705591.db2.gz PJBLRFDYLPEFJK-UHFFFAOYSA-N 0 0 181.157 1.979 10 0 ADAERN Cc1cc2ncc(N)nc2cc1N 205071996 371705622 /nfs/dbraw/zinc/70/56/22/371705622.db2.gz UTRSJFNWUPVGRK-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN Cc1cccc2nc(N)cnc12 205068037 371705747 /nfs/dbraw/zinc/70/57/47/371705747.db2.gz AKARWUFKICDPGJ-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN COC(=O)C1CSCCSC1 205080533 371705771 /nfs/dbraw/zinc/70/57/71/371705771.db2.gz MYLRJXSQSCYCIG-UHFFFAOYSA-N 0 0 192.305 1.256 10 0 ADAERN COc1ccc(C(=O)CCCO)cn1 205071427 371705845 /nfs/dbraw/zinc/70/58/45/371705845.db2.gz MRUDPFYPHDDMSB-UHFFFAOYSA-N 0 0 195.218 1.045 10 0 ADAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)C 205659357 371706314 /nfs/dbraw/zinc/70/63/14/371706314.db2.gz HKPNAKLBZBKTAV-SFYZADRCSA-N 0 0 155.241 1.511 10 0 ADAERN O[C@H]1CCN2Cc3ccccc3N[C@@H]12 205443978 371706354 /nfs/dbraw/zinc/70/63/54/371706354.db2.gz COZSJNLDVXKSMD-WDEREUQCSA-N 0 0 190.246 1.005 10 0 ADAERN O[C@@H]1CCN2Cc3ccccc3N[C@@H]12 205443992 371706503 /nfs/dbraw/zinc/70/65/03/371706503.db2.gz COZSJNLDVXKSMD-GHMZBOCLSA-N 0 0 190.246 1.005 10 0 ADAERN C[C@@H]1CCC[C@H]1C(=O)N(C)C 205659392 371706523 /nfs/dbraw/zinc/70/65/23/371706523.db2.gz HKPNAKLBZBKTAV-HTQZYQBOSA-N 0 0 155.241 1.511 10 0 ADAERN c1noc2oc3oncc3c12 211635007 371708159 /nfs/dbraw/zinc/70/81/59/371708159.db2.gz VIPMGYMTMUQMMD-UHFFFAOYSA-N 0 0 150.093 1.562 10 0 ADAERN Cc1nc2c([nH]1)Cc1nc(C)[nH]c1C2 211662773 371708407 /nfs/dbraw/zinc/70/84/07/371708407.db2.gz JOCIMOUWHWJCQL-UHFFFAOYSA-N 0 0 188.234 1.245 10 0 ADAERN Cc1coc(=O)c2cc(O)cc([O-])c12 211637113 371708011 /nfs/dbraw/zinc/70/80/11/371708011.db2.gz HEPDDYKWKYOYLX-UHFFFAOYSA-N 0 0 192.170 1.513 10 0 ADAERN CCOc1c[nH]c(=S)[nH]1 211677804 371708041 /nfs/dbraw/zinc/70/80/41/371708041.db2.gz PMJBAWLMDCSNAQ-UHFFFAOYSA-N 0 0 144.199 1.471 10 0 ADAERN CCc1cnc2c(n1)CC=CC2 211672656 371708335 /nfs/dbraw/zinc/70/83/35/371708335.db2.gz SUTICHHRJPUCNN-UHFFFAOYSA-N 0 0 160.220 1.694 10 0 ADAERN CCc1cc(F)cc(N)c1O 211669799 371708474 /nfs/dbraw/zinc/70/84/74/371708474.db2.gz NOYHONVGBCRUFG-UHFFFAOYSA-N 0 0 155.172 1.676 10 0 ADAERN CCOC(=O)Cc1cccc(O)c1F 221157947 371715999 /nfs/dbraw/zinc/71/59/99/371715999.db2.gz JLNRHLMOFFJZMT-UHFFFAOYSA-N 0 0 198.193 1.637 10 0 ADAERN Nc1cc(-c2ccncc2F)ccn1 222933798 371717678 /nfs/dbraw/zinc/71/76/78/371717678.db2.gz IFJZITXALTWDRI-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN Nc1cc(-c2cnccn2)ccn1 222928665 371717715 /nfs/dbraw/zinc/71/77/15/371717715.db2.gz VOEPDUWIDULCAF-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN Nc1cc(Cc2ccccn2)ccn1 222929110 371717768 /nfs/dbraw/zinc/71/77/68/371717768.db2.gz VHHSXCAOUAOSQE-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN Nc1cc(Cc2nccs2)ccn1 222930876 371717840 /nfs/dbraw/zinc/71/78/40/371717840.db2.gz MUZKQERRAMVGAO-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN 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/nfs/dbraw/zinc/80/28/64/371802864.db2.gz HZFBNJOFXMDYIK-HTQZYQBOSA-N 0 0 191.234 1.100 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)c1ccncn1 335889233 371802928 /nfs/dbraw/zinc/80/29/28/371802928.db2.gz HZFBNJOFXMDYIK-YUMQZZPRSA-N 0 0 191.234 1.100 10 0 ADAERN Cc1cc(F)cc2[nH]c(C(N)=O)cc12 335889222 371802954 /nfs/dbraw/zinc/80/29/54/371802954.db2.gz HFIIQEHEXNAJBJ-UHFFFAOYSA-N 0 0 192.193 1.714 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)c1ccncn1 335889232 371802964 /nfs/dbraw/zinc/80/29/64/371802964.db2.gz HZFBNJOFXMDYIK-OCAPTIKFSA-N 0 0 191.234 1.100 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)NCc1ccco1 335934569 371804491 /nfs/dbraw/zinc/80/44/91/371804491.db2.gz KDMXXGRVMGAMPZ-VXNVDRBHSA-N 0 0 194.234 1.487 10 0 ADAERN CCO[C@H](C)C(=O)N1CCC=C(C)C1 336163694 371806750 /nfs/dbraw/zinc/80/67/50/371806750.db2.gz COLQUBHUAOUTMM-SNVBAGLBSA-N 0 0 197.278 1.590 10 0 ADAERN CCO[C@@H](C)C(=O)N1CCC=C(C)C1 336163693 371806763 /nfs/dbraw/zinc/80/67/63/371806763.db2.gz COLQUBHUAOUTMM-JTQLQIEISA-N 0 0 197.278 1.590 10 0 ADAERN CSCC(=O)NCc1occc1C 379390781 371809345 /nfs/dbraw/zinc/80/93/45/371809345.db2.gz NRMSUZWGHTYQJT-UHFFFAOYSA-N 0 0 199.275 1.567 10 0 ADAERN C[C@@H]1CC[N@H+](C/C=C\C(=O)[O-])[C@@H]1C 380554228 371810300 /nfs/dbraw/zinc/81/03/00/371810300.db2.gz NPWWHDQTNLJCFQ-UREXNXCXSA-N 0 0 183.251 1.358 10 0 ADAERN C[C@H]1[C@H](C)CC[N@@H+]1C/C=C\C(=O)[O-] 380554227 371810456 /nfs/dbraw/zinc/81/04/56/371810456.db2.gz NPWWHDQTNLJCFQ-NESOUNQCSA-N 0 0 183.251 1.358 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@H](CNC=O)C1 575496842 371826239 /nfs/dbraw/zinc/82/62/39/371826239.db2.gz SSBWRHQBJXGHCN-MYJAWHEDSA-N 0 0 169.268 1.805 10 0 ADAERN C=Cc1cnn(C[C@H]2CCOC2)c1 585143113 371844896 /nfs/dbraw/zinc/84/48/96/371844896.db2.gz VEIUDSZRGZXHTI-SNVBAGLBSA-N 0 0 178.235 1.563 10 0 ADAERN C/C(=C1/CC(=O)NC1=O)[C@@H]1CC1(C)C 397625055 371813167 /nfs/dbraw/zinc/81/31/67/371813167.db2.gz RWJJLUFNHPWJII-CZEYKFRCSA-N 0 0 193.246 1.396 10 0 ADAERN C/C=C/C(=O)NC1C[C@@H]2C[C@@H]2C1 397641498 371813186 /nfs/dbraw/zinc/81/31/86/371813186.db2.gz CIKBVBPFXFUEPT-CHJOSYAVSA-N 0 0 165.236 1.477 10 0 ADAERN C/C=C\C(=O)NC1C[C@@H]2C[C@@H]2C1 397641502 371813613 /nfs/dbraw/zinc/81/36/13/371813613.db2.gz CIKBVBPFXFUEPT-CQYIFSSWSA-N 0 0 165.236 1.477 10 0 ADAERN C/C(=C1/CC(=O)NC1=O)[C@H]1CC1(C)C 397625056 371813721 /nfs/dbraw/zinc/81/37/21/371813721.db2.gz RWJJLUFNHPWJII-HYDMIIDASA-N 0 0 193.246 1.396 10 0 ADAERN N#Cc1cncc(N=[N+]=[N-])n1 401248514 371814565 /nfs/dbraw/zinc/81/45/65/371814565.db2.gz GKSPFQMXCKDYOZ-UHFFFAOYSA-N 0 0 146.113 1.290 10 0 ADAERN OC(O)(CC(F)(F)F)C(F)(F)F 498036758 371816680 /nfs/dbraw/zinc/81/66/80/371816680.db2.gz VTWOEWWPTCRJEC-UHFFFAOYSA-N 0 0 198.062 1.182 10 0 ADAERN COc1cnc(F)c(Cl)c1OC 498036761 371816699 /nfs/dbraw/zinc/81/66/99/371816699.db2.gz WFCBXXOIPFKZGD-UHFFFAOYSA-N 0 0 191.589 1.891 10 0 ADAERN COc1ccc([C@H]2C[C@H](O)C2)cc1 498036782 371816718 /nfs/dbraw/zinc/81/67/18/371816718.db2.gz XYTIQERRJGBDCC-MGCOHNPYSA-N 0 0 178.231 1.934 10 0 ADAERN COc1c(F)ncc(C=O)c1Cl 498036653 371816731 /nfs/dbraw/zinc/81/67/31/371816731.db2.gz RTJRYACEWAJAGI-UHFFFAOYSA-N 0 0 189.573 1.695 10 0 ADAERN c1cnn(Cn2ccnc2C2CC2)c1 527531297 371817280 /nfs/dbraw/zinc/81/72/80/371817280.db2.gz DAUYPWOBOYGPSU-UHFFFAOYSA-N 0 0 188.234 1.463 10 0 ADAERN Cc1cocc1C(=O)N1CC(C)C1 527531336 371817293 /nfs/dbraw/zinc/81/72/93/371817293.db2.gz AISQBYNDFIEMFA-UHFFFAOYSA-N 0 0 179.219 1.680 10 0 ADAERN CC(=O)N1CC(Cc2ccco2)C1 527531304 371817421 /nfs/dbraw/zinc/81/74/21/371817421.db2.gz DBXTZQGTJWGZEQ-UHFFFAOYSA-N 0 0 179.219 1.300 10 0 ADAERN C[C@H]1CN(C(=O)c2nncs2)[C@H]1C 527531237 371817453 /nfs/dbraw/zinc/81/74/53/371817453.db2.gz AGAWYBNXBBSZDA-WDSKDSINSA-N 0 0 197.263 1.019 10 0 ADAERN O=C(NCC1CC=CC1)n1ccnc1 527531287 371817515 /nfs/dbraw/zinc/81/75/15/371817515.db2.gz CJBKKYQEJXBKDM-UHFFFAOYSA-N 0 0 191.234 1.407 10 0 ADAERN Cn1nncc1-c1cnc(C2CC2)o1 527531247 371817547 /nfs/dbraw/zinc/81/75/47/371817547.db2.gz ATRNTVUXSJSRPB-UHFFFAOYSA-N 0 0 190.206 1.348 10 0 ADAERN Cn1cc(-c2cnc(C3CC3)o2)nn1 527531261 371817567 /nfs/dbraw/zinc/81/75/67/371817567.db2.gz BPYYZOOYBQKKES-UHFFFAOYSA-N 0 0 190.206 1.348 10 0 ADAERN c1nc(-c2cnc(C3CC3)o2)c[nH]1 527531248 371817608 /nfs/dbraw/zinc/81/76/08/371817608.db2.gz AWPVSESZWQMZJX-UHFFFAOYSA-N 0 0 175.191 1.942 10 0 ADAERN C[C@H]1CC(CNC=O)C[C@H](C)C1 575496843 371826291 /nfs/dbraw/zinc/82/62/91/371826291.db2.gz SSBWRHQBJXGHCN-RKDXNWHRSA-N 0 0 169.268 1.805 10 0 ADAERN Cc1c[nH]c([C@H](O)c2ccc[nH]2)n1 575449353 371819559 /nfs/dbraw/zinc/81/95/59/371819559.db2.gz NGBBKGVOPWTONZ-MRVPVSSYSA-N 0 0 177.207 1.128 10 0 ADAERN NNc1cnc(C2CC2)s1 575449368 371819596 /nfs/dbraw/zinc/81/95/96/371819596.db2.gz PJKILLGSCMNFRW-UHFFFAOYSA-N 0 0 155.226 1.306 10 0 ADAERN Cc1c[nH]c([C@@H](O)c2ccc[nH]2)n1 575449354 371819608 /nfs/dbraw/zinc/81/96/08/371819608.db2.gz NGBBKGVOPWTONZ-QMMMGPOBSA-N 0 0 177.207 1.128 10 0 ADAERN OC1(C[C@@H]2CO2)CCSCC1 575463799 371820296 /nfs/dbraw/zinc/82/02/96/371820296.db2.gz FAAKVPGXAFLOAL-SSDOTTSWSA-N 0 0 174.265 1.033 10 0 ADAERN Cn1cc(-c2cc(Cl)ccn2)nn1 575463802 371820375 /nfs/dbraw/zinc/82/03/75/371820375.db2.gz FZIOMIVQAXYWRF-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN OC1(C[C@H]2CO2)CCSCC1 575463800 371820385 /nfs/dbraw/zinc/82/03/85/371820385.db2.gz FAAKVPGXAFLOAL-ZETCQYMHSA-N 0 0 174.265 1.033 10 0 ADAERN Cc1cn(Cc2cscn2)c(=O)[nH]1 575463751 371820402 /nfs/dbraw/zinc/82/04/02/371820402.db2.gz WATMISXUCCKXIR-UHFFFAOYSA-N 0 0 195.247 1.402 10 0 ADAERN c1cc(N[C@@H]2CNOC2)cs1 575463816 371820441 /nfs/dbraw/zinc/82/04/41/371820441.db2.gz HXRLSTFIERFVKE-SSDOTTSWSA-N 0 0 170.237 1.063 10 0 ADAERN Cn1cnnc1-c1cccc(Cl)n1 575463806 371820507 /nfs/dbraw/zinc/82/05/07/371820507.db2.gz AHLPINUCXKEJRW-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN c1cc(N[C@H]2CNOC2)cs1 575463817 371820534 /nfs/dbraw/zinc/82/05/34/371820534.db2.gz HXRLSTFIERFVKE-ZETCQYMHSA-N 0 0 170.237 1.063 10 0 ADAERN OCc1cc(C2(Cl)CC2)[nH]n1 575463851 371821599 /nfs/dbraw/zinc/82/15/99/371821599.db2.gz IVZQMHSONBFHNM-UHFFFAOYSA-N 0 0 172.615 1.130 10 0 ADAERN CC(F)(F)CNc1ncc(N)cn1 575479583 371823405 /nfs/dbraw/zinc/82/34/05/371823405.db2.gz HGCVSOKRCHIJDX-UHFFFAOYSA-N 0 0 188.181 1.126 10 0 ADAERN CC[C@@H]1COC[C@H]1Nc1nccs1 575483576 371824157 /nfs/dbraw/zinc/82/41/57/371824157.db2.gz GGFCZXOOWIXEMP-HTQZYQBOSA-N 0 0 198.291 1.980 10 0 ADAERN N#CNCC1CCC(F)(F)CC1 575483573 371824200 /nfs/dbraw/zinc/82/42/00/371824200.db2.gz QTHVRGUFOVVXRU-UHFFFAOYSA-N 0 0 174.194 1.883 10 0 ADAERN C[C@@H]1CC(CNC=O)C[C@@H](C)C1 575496837 371826111 /nfs/dbraw/zinc/82/61/11/371826111.db2.gz SSBWRHQBJXGHCN-IUCAKERBSA-N 0 0 169.268 1.805 10 0 ADAERN Cc1ccc(O)cc1NC1COC1 575543640 371828411 /nfs/dbraw/zinc/82/84/11/371828411.db2.gz RCMJSMQCJFJTDY-UHFFFAOYSA-N 0 0 179.219 1.511 10 0 ADAERN Cn1cnc(-c2cncnc2Cl)c1 575596557 371833584 /nfs/dbraw/zinc/83/35/84/371833584.db2.gz RGXGVAIJMVEPGL-UHFFFAOYSA-N 0 0 194.625 1.531 10 0 ADAERN Cc1nc(C(C)C)[nH]c(=S)n1 575564760 371829667 /nfs/dbraw/zinc/82/96/67/371829667.db2.gz JOOUVUKBJZUZTK-UHFFFAOYSA-N 0 0 169.253 1.592 10 0 ADAERN O=C1NCCN1CC1=CCCC1 575566691 371830955 /nfs/dbraw/zinc/83/09/55/371830955.db2.gz KEFVPNZJLMDPNR-UHFFFAOYSA-N 0 0 166.224 1.122 10 0 ADAERN CC1CC(CN2CN=NC2=S)C1 575566681 371830640 /nfs/dbraw/zinc/83/06/40/371830640.db2.gz WJDWBHZFGYNIIU-UHFFFAOYSA-N 0 0 183.280 1.613 10 0 ADAERN CC1(C)C[C@@]1(C)c1nccc(=O)[nH]1 575566706 371830750 /nfs/dbraw/zinc/83/07/50/371830750.db2.gz RERZDCSWXPFVDU-JTQLQIEISA-N 0 0 178.235 1.870 10 0 ADAERN CC1(C)C[C@]1(C)c1nccc(=O)[nH]1 575566710 371830924 /nfs/dbraw/zinc/83/09/24/371830924.db2.gz RERZDCSWXPFVDU-SNVBAGLBSA-N 0 0 178.235 1.870 10 0 ADAERN CC(C)Cc1nc(F)cc(F)n1 575594555 371833038 /nfs/dbraw/zinc/83/30/38/371833038.db2.gz KBWRYETVODZLLP-UHFFFAOYSA-N 0 0 172.178 1.953 10 0 ADAERN Fc1ccnc([C@H]2CC23CC3)n1 575596409 371833543 /nfs/dbraw/zinc/83/35/43/371833543.db2.gz XOZSROWNSUQQCQ-ZCFIWIBFSA-N 0 0 164.183 1.883 10 0 ADAERN Fc1nccnc1N1CC=CCC1 575596433 371833551 /nfs/dbraw/zinc/83/35/51/371833551.db2.gz HSZSGMCGNXIXOE-UHFFFAOYSA-N 0 0 179.198 1.382 10 0 ADAERN Fc1ccnc(N2CCCC2)n1 575596437 371833562 /nfs/dbraw/zinc/83/35/62/371833562.db2.gz ICMYTVXIHLXRNG-UHFFFAOYSA-N 0 0 167.187 1.216 10 0 ADAERN Cn1c(C2(O)CC2)cnc1Cl 575596489 371833578 /nfs/dbraw/zinc/83/35/78/371833578.db2.gz OWGAKNQIVBHHHG-UHFFFAOYSA-N 0 0 172.615 1.055 10 0 ADAERN Fc1ccnc([C@@H]2CC23CC3)n1 575596408 371833588 /nfs/dbraw/zinc/83/35/88/371833588.db2.gz XOZSROWNSUQQCQ-LURJTMIESA-N 0 0 164.183 1.883 10 0 ADAERN COC(C)(C)c1nc(C)cc(F)n1 575596549 371833591 /nfs/dbraw/zinc/83/35/91/371833591.db2.gz QQHDOZHWBDMPTQ-UHFFFAOYSA-N 0 0 184.214 1.806 10 0 ADAERN Cc1c(Cl)nc2ncnn2c1F 575596443 371833611 /nfs/dbraw/zinc/83/36/11/371833611.db2.gz IHXYLVFUEWMTFP-UHFFFAOYSA-N 0 0 186.577 1.225 10 0 ADAERN Fc1cc(F)nc(N2CCCC2)n1 575596406 371833647 /nfs/dbraw/zinc/83/36/47/371833647.db2.gz GGNVLNRDLXLLEN-UHFFFAOYSA-N 0 0 185.177 1.355 10 0 ADAERN CCN(C)c1ccnc(F)n1 575596447 371833651 /nfs/dbraw/zinc/83/36/51/371833651.db2.gz MIIUQRFSIIMYAL-UHFFFAOYSA-N 0 0 155.176 1.072 10 0 ADAERN CSc1cc(O)c(F)cc1CO 575703488 371834650 /nfs/dbraw/zinc/83/46/50/371834650.db2.gz NEYSWHKGQZLGFU-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN CSc1c(F)ccc(CO)c1O 575703401 371834795 /nfs/dbraw/zinc/83/47/95/371834795.db2.gz MTTNRVVQXBQYDQ-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN CSc1cc(CO)cc(F)c1O 575703410 371834997 /nfs/dbraw/zinc/83/49/97/371834997.db2.gz MZFIOMHYLUYQNS-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN CCOC(=O)C[C@@H]1CCO[C@@H]1C 584603011 371835538 /nfs/dbraw/zinc/83/55/38/371835538.db2.gz LWEAPCZLVXPMNI-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)C[C@@H]1CCO[C@H]1C 584603012 371835553 /nfs/dbraw/zinc/83/55/53/371835553.db2.gz LWEAPCZLVXPMNI-YUMQZZPRSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)C[C@H]1CCO[C@@H]1C 584603008 371835555 /nfs/dbraw/zinc/83/55/55/371835555.db2.gz LWEAPCZLVXPMNI-HTQZYQBOSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)C1(C)C=C1 584602897 371835574 /nfs/dbraw/zinc/83/55/74/371835574.db2.gz BGPKWAJRTRZIEB-UHFFFAOYSA-N 0 0 126.155 1.126 10 0 ADAERN CCOC(=O)c1cn(C)nc1CF 584603088 371835594 /nfs/dbraw/zinc/83/55/94/371835594.db2.gz SWFUHOIYLQWISY-UHFFFAOYSA-N 0 0 186.186 1.066 10 0 ADAERN CCOC(=O)C[C@H]1CCO[C@H]1C 584603010 371835611 /nfs/dbraw/zinc/83/56/11/371835611.db2.gz LWEAPCZLVXPMNI-JGVFFNPUSA-N 0 0 172.224 1.365 10 0 ADAERN Clc1cccc(-n2nccn2)c1 584621462 371837799 /nfs/dbraw/zinc/83/77/99/371837799.db2.gz KMDUTBGEZNBOMG-UHFFFAOYSA-N 0 0 179.610 1.921 10 0 ADAERN Cc1cc(C)n(C2=NCCS2)n1 584621472 371837847 /nfs/dbraw/zinc/83/78/47/371837847.db2.gz MKHRJSDWFXDTSR-UHFFFAOYSA-N 0 0 181.264 1.451 10 0 ADAERN COc1ccc(C2=NC[C@H](C)O2)cc1 584623371 371838652 /nfs/dbraw/zinc/83/86/52/371838652.db2.gz KVFHIPHBZPWXFH-QMMMGPOBSA-N 0 0 191.230 1.861 10 0 ADAERN COc1ccc2oc(=O)cnc2c1 584639717 371841998 /nfs/dbraw/zinc/84/19/98/371841998.db2.gz AKWXBZOPMMWZKV-UHFFFAOYSA-N 0 0 177.159 1.197 10 0 ADAERN C[C@@H]1Cc2c(nc3ccccn23)C1=O 584626476 371839487 /nfs/dbraw/zinc/83/94/87/371839487.db2.gz DUHKKCAOTAZHIE-SSDOTTSWSA-N 0 0 186.214 1.709 10 0 ADAERN Cn1ccc2cc3ccccc3n2c1=O 584625927 371839494 /nfs/dbraw/zinc/83/94/94/371839494.db2.gz ITENUYUNTBHSKL-UHFFFAOYSA-N 0 0 198.225 1.791 10 0 ADAERN CCCC(=O)OCC(C)(C)N=O 584625938 371839562 /nfs/dbraw/zinc/83/95/62/371839562.db2.gz NDJUUDYAQZLWFW-UHFFFAOYSA-N 0 0 173.212 1.875 10 0 ADAERN C[C@H]1Cc2c(nc3ccccn23)C1=O 584626480 371839564 /nfs/dbraw/zinc/83/95/64/371839564.db2.gz DUHKKCAOTAZHIE-ZETCQYMHSA-N 0 0 186.214 1.709 10 0 ADAERN O=c1cc(O)cc(C2CCC2)o1 584625856 371839565 /nfs/dbraw/zinc/83/95/65/371839565.db2.gz ZWBSUKIXZXIENU-UHFFFAOYSA-N 0 0 166.176 1.613 10 0 ADAERN CC1(C)C(=O)Nc2cc(CO)ccc21 584625760 371839587 /nfs/dbraw/zinc/83/95/87/371839587.db2.gz MKCGYRNPDDYZRP-UHFFFAOYSA-N 0 0 191.230 1.409 10 0 ADAERN [O-][n+]1onc2c1CCc1ccccc1-2 584634650 371841164 /nfs/dbraw/zinc/84/11/64/371841164.db2.gz ROKFIQKBJDMXGK-UHFFFAOYSA-N 0 0 188.186 1.074 10 0 ADAERN 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/nfs/dbraw/zinc/36/20/34/375362034.db2.gz DURVCVHBSACYNC-UHFFFAOYSA-N 0 0 171.221 1.116 10 0 ADAERN CC(C)Oc1cc(N)c(N)cc1F 82474555 375363336 /nfs/dbraw/zinc/36/33/36/375363336.db2.gz WPRHOPCIQPIYRJ-UHFFFAOYSA-N 0 0 184.214 1.777 10 0 ADAERN c1cnn(C[C@@H]2CCCO2)c1 82615011 375366008 /nfs/dbraw/zinc/36/60/08/375366008.db2.gz BYNSRPBDOJCUQE-QMMMGPOBSA-N 0 0 152.197 1.062 10 0 ADAERN CCc1nccn1Cc1ncccn1 82615408 375366018 /nfs/dbraw/zinc/36/60/18/375366018.db2.gz LLPYMKKZUXJUKG-UHFFFAOYSA-N 0 0 188.234 1.284 10 0 ADAERN c1cnn(C[C@H]2CCCO2)c1 82615012 375366275 /nfs/dbraw/zinc/36/62/75/375366275.db2.gz BYNSRPBDOJCUQE-MRVPVSSYSA-N 0 0 152.197 1.062 10 0 ADAERN CC1(CNC(=O)c2ccoc2)COC1 82693933 375370193 /nfs/dbraw/zinc/37/01/93/375370193.db2.gz GRCLGQJLSFSVFM-UHFFFAOYSA-N 0 0 195.218 1.046 10 0 ADAERN CC(C)C(=O)NC[C@H]1CCCC[C@H]1O 82992529 375372396 /nfs/dbraw/zinc/37/23/96/375372396.db2.gz BUINCTBJKBLFDU-NXEZZACHSA-N 0 0 199.294 1.310 10 0 ADAERN O=C(NC[C@H]1CCCC[C@H]1O)C1CC1 82992340 375372628 /nfs/dbraw/zinc/37/26/28/375372628.db2.gz NHVYOSWGIKEEQL-NXEZZACHSA-N 0 0 197.278 1.064 10 0 ADAERN CCC(=O)NC[C@@H]1CCCC[C@@H]1O 82992011 375372692 /nfs/dbraw/zinc/37/26/92/375372692.db2.gz YFKDTOKIQXDHOR-IUCAKERBSA-N 0 0 185.267 1.064 10 0 ADAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C1CC1 82992335 375372758 /nfs/dbraw/zinc/37/27/58/375372758.db2.gz NHVYOSWGIKEEQL-UWVGGRQHSA-N 0 0 197.278 1.064 10 0 ADAERN CC(C)C(=O)NC[C@@H]1CCCC[C@@H]1O 82992522 375373023 /nfs/dbraw/zinc/37/30/23/375373023.db2.gz BUINCTBJKBLFDU-UWVGGRQHSA-N 0 0 199.294 1.310 10 0 ADAERN CCC(=O)NC[C@H]1CCCC[C@H]1O 82992015 375373269 /nfs/dbraw/zinc/37/32/69/375373269.db2.gz YFKDTOKIQXDHOR-RKDXNWHRSA-N 0 0 185.267 1.064 10 0 ADAERN Cc1nnc(N[C@@H]2C[C@@H]2C)s1 83119584 375373971 /nfs/dbraw/zinc/37/39/71/375373971.db2.gz MOCSNHVAEJVFJE-UJURSFKZSA-N 0 0 169.253 1.667 10 0 ADAERN CC(C)OC(=O)c1ccncc1F 83119332 375374036 /nfs/dbraw/zinc/37/40/36/375374036.db2.gz GZALMUJCRKVTED-UHFFFAOYSA-N 0 0 183.182 1.786 10 0 ADAERN CNc1ncnc2cccc(C)c12 83119168 375374135 /nfs/dbraw/zinc/37/41/35/375374135.db2.gz FVIRFOLXWQIMEH-UHFFFAOYSA-N 0 0 173.219 1.980 10 0 ADAERN CC(C)(C)NS(=O)(=O)CC1CC1 83140096 375374175 /nfs/dbraw/zinc/37/41/75/375374175.db2.gz YCOBOPXZFVWJSI-UHFFFAOYSA-N 0 0 191.296 1.114 10 0 ADAERN CCNc1nc(C2CCC2)no1 83136397 375374253 /nfs/dbraw/zinc/37/42/53/375374253.db2.gz AVUODHGPXGCQFT-UHFFFAOYSA-N 0 0 167.212 1.769 10 0 ADAERN Cc1nnc(N[C@H]2C[C@H]2C)s1 83119587 375374622 /nfs/dbraw/zinc/37/46/22/375374622.db2.gz MOCSNHVAEJVFJE-XINAWCOVSA-N 0 0 169.253 1.667 10 0 ADAERN CNc1ncnc2ccc(C)cc12 83119161 375374640 /nfs/dbraw/zinc/37/46/40/375374640.db2.gz HOMXERRQFWVICO-UHFFFAOYSA-N 0 0 173.219 1.980 10 0 ADAERN Cc1nnc(N[C@H]2C[C@@H]2C)s1 83119585 375374869 /nfs/dbraw/zinc/37/48/69/375374869.db2.gz MOCSNHVAEJVFJE-NJGYIYPDSA-N 0 0 169.253 1.667 10 0 ADAERN Cc1nccn1CC[C@@H]1CCCO1 83531411 375376725 /nfs/dbraw/zinc/37/67/25/375376725.db2.gz ALVUVMFWABVNCR-JTQLQIEISA-N 0 0 180.251 1.761 10 0 ADAERN c1cnn(CC[C@H]2CCCO2)c1 83531400 375376786 /nfs/dbraw/zinc/37/67/86/375376786.db2.gz CMNYKSYDORJQHP-SECBINFHSA-N 0 0 166.224 1.452 10 0 ADAERN c1cnn(CC[C@@H]2CCCO2)c1 83531399 375377294 /nfs/dbraw/zinc/37/72/94/375377294.db2.gz CMNYKSYDORJQHP-VIFPVBQESA-N 0 0 166.224 1.452 10 0 ADAERN CCc1nsc(N[C@@H]2C[C@@H]2C)n1 83668528 375378057 /nfs/dbraw/zinc/37/80/57/375378057.db2.gz BOHXAIUVPALFLF-NTSWFWBYSA-N 0 0 183.280 1.921 10 0 ADAERN CCc1nsc(N[C@@H]2C[C@H]2C)n1 83668531 375378296 /nfs/dbraw/zinc/37/82/96/375378296.db2.gz BOHXAIUVPALFLF-PHDIDXHHSA-N 0 0 183.280 1.921 10 0 ADAERN Cc1nsc(N[C@H]2C[C@@H]2C)n1 83648548 375378361 /nfs/dbraw/zinc/37/83/61/375378361.db2.gz RTHUDTVSYIOGEL-NJGYIYPDSA-N 0 0 169.253 1.667 10 0 ADAERN CNc1nc(CC(C)C)ns1 83646208 375378445 /nfs/dbraw/zinc/37/84/45/375378445.db2.gz FAIKNJBEPVMSRU-UHFFFAOYSA-N 0 0 171.269 1.778 10 0 ADAERN Cc1nsc(N[C@@H]2C[C@H]2C)n1 83648550 375378476 /nfs/dbraw/zinc/37/84/76/375378476.db2.gz RTHUDTVSYIOGEL-INEUFUBQSA-N 0 0 169.253 1.667 10 0 ADAERN CNc1nc(C(C)(C)C)ns1 83646149 375378597 /nfs/dbraw/zinc/37/85/97/375378597.db2.gz BYLJFXWMVJZVBV-UHFFFAOYSA-N 0 0 171.269 1.877 10 0 ADAERN Cc1nsc(NC2CC2)n1 83646912 375378878 /nfs/dbraw/zinc/37/88/78/375378878.db2.gz LWIMWXWUHSKYEN-UHFFFAOYSA-N 0 0 155.226 1.421 10 0 ADAERN Cc1nsc(N[C@@H]2C[C@@H]2C)n1 83648546 375378969 /nfs/dbraw/zinc/37/89/69/375378969.db2.gz RTHUDTVSYIOGEL-UJURSFKZSA-N 0 0 169.253 1.667 10 0 ADAERN Cc1cnc(C)c(N[C@H]2C[C@H]2C)n1 83812945 375379698 /nfs/dbraw/zinc/37/96/98/375379698.db2.gz OOISTSWCPBEGKV-MUWHJKNJSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cnc(C)c(N[C@@H]2C[C@@H]2C)n1 83812939 375380170 /nfs/dbraw/zinc/38/01/70/375380170.db2.gz OOISTSWCPBEGKV-IMTBSYHQSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1cnc(C)c(N[C@@H]2C[C@H]2C)n1 83812942 375380395 /nfs/dbraw/zinc/38/03/95/375380395.db2.gz OOISTSWCPBEGKV-HZGVNTEJSA-N 0 0 177.251 1.914 10 0 ADAERN C[C@H]1CC[C@@H](C)N(C(N)=O)C1 84047735 375386342 /nfs/dbraw/zinc/38/63/42/375386342.db2.gz LFIKZWPKBYZQRX-NKWVEPMBSA-N 0 0 156.229 1.186 10 0 ADAERN C[C@H]1CC[C@H](C)N(S(C)(=O)=O)C1 84055860 375386352 /nfs/dbraw/zinc/38/63/52/375386352.db2.gz YONCDEJPKJECCE-YUMQZZPRSA-N 0 0 191.296 1.066 10 0 ADAERN COCC(=O)N1C[C@H](C)CC[C@@H]1C 84055819 375386830 /nfs/dbraw/zinc/38/68/30/375386830.db2.gz LTUZKIFEPCANQB-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN CCOCC(=O)N1C[C@H](C)CC[C@H]1C 84055735 375386937 /nfs/dbraw/zinc/38/69/37/375386937.db2.gz XLZHFMQUYUUTDV-NXEZZACHSA-N 0 0 199.294 1.670 10 0 ADAERN O=[N+]([O-])C=CNCc1ccccc1 100038391 375389238 /nfs/dbraw/zinc/38/92/38/375389238.db2.gz NMWVBMVHNATQNF-SREVYHEPSA-N 0 0 178.191 1.524 10 0 ADAERN Cc1ccncc1[C@@H]1NCCS1 135523353 375394662 /nfs/dbraw/zinc/39/46/62/375394662.db2.gz JHHVYDVWVMROEB-SECBINFHSA-N 0 0 180.276 1.725 10 0 ADAERN Cc1ccncc1[C@H]1NCCS1 135523375 375394786 /nfs/dbraw/zinc/39/47/86/375394786.db2.gz JHHVYDVWVMROEB-VIFPVBQESA-N 0 0 180.276 1.725 10 0 ADAERN C[C@@H]1C[C@H]1CNc1nccc(N)n1 161660724 375397749 /nfs/dbraw/zinc/39/77/49/375397749.db2.gz HAUSQGFCTPVFJI-RQJHMYQMSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]1C[C@@H]1CNc1nccc(N)n1 161660603 375397797 /nfs/dbraw/zinc/39/77/97/375397797.db2.gz HAUSQGFCTPVFJI-NKWVEPMBSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1nccc(N)n1 161660499 375397853 /nfs/dbraw/zinc/39/78/53/375397853.db2.gz HAUSQGFCTPVFJI-RNFRBKRXSA-N 0 0 178.239 1.127 10 0 ADAERN C[C@H]1C[C@H]1CNc1nccc(N)n1 161660808 375397881 /nfs/dbraw/zinc/39/78/81/375397881.db2.gz HAUSQGFCTPVFJI-BQBZGAKWSA-N 0 0 178.239 1.127 10 0 ADAERN Cc1csc(-c2cn[nH]n2)n1 164684060 375398605 /nfs/dbraw/zinc/39/86/05/375398605.db2.gz KWKRTVVXAQAOBE-UHFFFAOYSA-N 0 0 166.209 1.237 10 0 ADAERN CCCCC(=O)N1CC[C@H](O)C1(C)C 170208054 375401252 /nfs/dbraw/zinc/40/12/52/375401252.db2.gz XZEFYBIKNSOQNW-VIFPVBQESA-N 0 0 199.294 1.548 10 0 ADAERN CCC(CC)C(=O)N[C@H]1CCC[C@@H]1O 170208205 375401344 /nfs/dbraw/zinc/40/13/44/375401344.db2.gz CNWHSXGWDIZKOT-UWVGGRQHSA-N 0 0 199.294 1.452 10 0 ADAERN COC(=O)c1ccn2c1CCCC2 196287061 375403278 /nfs/dbraw/zinc/40/32/78/375403278.db2.gz RQSAYGOMEZDATQ-UHFFFAOYSA-N 0 0 179.219 1.611 10 0 ADAERN COCCOCOCc1ccccc1 196285342 375403356 /nfs/dbraw/zinc/40/33/56/375403356.db2.gz RAWVTIBLKUXFSJ-UHFFFAOYSA-N 0 0 196.246 1.824 10 0 ADAERN OCc1ccc2c(n1)CCCCC2 196566592 375404191 /nfs/dbraw/zinc/40/41/91/375404191.db2.gz YUTAZCJVJHHQJM-UHFFFAOYSA-N 0 0 177.247 1.843 10 0 ADAERN OC[C@H]1OC12CCCCC2 196568166 375404209 /nfs/dbraw/zinc/40/42/09/375404209.db2.gz JUNOMBRVJHPWRG-SSDOTTSWSA-N 0 0 142.198 1.080 10 0 ADAERN CNC(=O)c1sc(C(C)C)nc1C 197988221 375404903 /nfs/dbraw/zinc/40/49/03/375404903.db2.gz CWWROPIXSSIUKA-UHFFFAOYSA-N 0 0 198.291 1.935 10 0 ADAERN Cc1nc(-c2ccco2)no1 200341102 375406130 /nfs/dbraw/zinc/40/61/30/375406130.db2.gz VHDOCVZRNDNNAP-UHFFFAOYSA-N 0 0 150.137 1.638 10 0 ADAERN CNC(=O)c1ccc(OC(C)C)cn1 201486774 375408131 /nfs/dbraw/zinc/40/81/31/375408131.db2.gz PHSKCBJXUCTFJA-UHFFFAOYSA-N 0 0 194.234 1.228 10 0 ADAERN Cc1cc(C(C)C)nc(NCCO)n1 201882014 375409222 /nfs/dbraw/zinc/40/92/22/375409222.db2.gz PPRCIFJLADTZFT-UHFFFAOYSA-N 0 0 195.266 1.313 10 0 ADAERN CC(C)[C@H]1C[C@H]1C(=O)N(C)C 202250221 375409788 /nfs/dbraw/zinc/40/97/88/375409788.db2.gz HBPVSGFYSXRNLX-HTQZYQBOSA-N 0 0 155.241 1.367 10 0 ADAERN CC(C)[C@H]1C[C@@H]1C(=O)N(C)C 202252099 375410153 /nfs/dbraw/zinc/41/01/53/375410153.db2.gz HBPVSGFYSXRNLX-SFYZADRCSA-N 0 0 155.241 1.367 10 0 ADAERN CC(=O)CCCC(=O)C1CC1 202263476 375410162 /nfs/dbraw/zinc/41/01/62/375410162.db2.gz BORJZNYQIXGMCT-UHFFFAOYSA-N 0 0 154.209 1.725 10 0 ADAERN CNC(=O)[C@@H]1C[C@@H]1C(C)C 202250896 375410176 /nfs/dbraw/zinc/41/01/76/375410176.db2.gz LDXAEZVGDLIHET-RNFRBKRXSA-N 0 0 141.214 1.025 10 0 ADAERN CNC(=O)[C@H]1C[C@@H]1C(C)C 202250871 375410242 /nfs/dbraw/zinc/41/02/42/375410242.db2.gz LDXAEZVGDLIHET-RQJHMYQMSA-N 0 0 141.214 1.025 10 0 ADAERN CNC(=O)c1cc2c([nH]1)CCCC2 202265196 375410245 /nfs/dbraw/zinc/41/02/45/375410245.db2.gz BCZOACYZNHKXPK-UHFFFAOYSA-N 0 0 178.235 1.253 10 0 ADAERN CC[C@@H](NC(=O)CCC(C)=O)C(C)C 203096980 375410745 /nfs/dbraw/zinc/41/07/45/375410745.db2.gz WQWLRRHGEJOUEQ-SNVBAGLBSA-N 0 0 199.294 1.906 10 0 ADAERN CC[C@H](NC(=O)CCC(C)=O)C(C)C 203096971 375410788 /nfs/dbraw/zinc/41/07/88/375410788.db2.gz WQWLRRHGEJOUEQ-JTQLQIEISA-N 0 0 199.294 1.906 10 0 ADAERN CNc1ncnc2cccc(F)c12 203008468 375410896 /nfs/dbraw/zinc/41/08/96/375410896.db2.gz DAYBUHFKCLAPJD-UHFFFAOYSA-N 0 0 177.182 1.811 10 0 ADAERN O=C(c1ccoc1)N1C[C@H]2C[C@H]2C1 204410394 375412298 /nfs/dbraw/zinc/41/22/98/375412298.db2.gz DIYXRNLBGANXHD-DTORHVGOSA-N 0 0 177.203 1.372 10 0 ADAERN CCN1Cc2cccnc2C1 205393897 375413831 /nfs/dbraw/zinc/41/38/31/375413831.db2.gz LEFCVCBBDXFHGN-UHFFFAOYSA-N 0 0 148.209 1.417 10 0 ADAERN CCC(F)(F)CN1CCN(C)CC1 207135989 375414573 /nfs/dbraw/zinc/41/45/73/375414573.db2.gz GFPKZBUGOUWOCU-UHFFFAOYSA-N 0 0 192.253 1.279 10 0 ADAERN C[C@]12CCC[C@H]1COC(=O)N2 211631865 375415609 /nfs/dbraw/zinc/41/56/09/375415609.db2.gz QWZZNOAHMCVSER-XPUUQOCRSA-N 0 0 155.197 1.285 10 0 ADAERN Nc1nc(Cl)c2c(n1)CCCCC2 215981768 375416907 /nfs/dbraw/zinc/41/69/07/375416907.db2.gz GHKZLHHZRVRBIT-UHFFFAOYSA-N 0 0 197.669 1.981 10 0 ADAERN CCOC(=O)[C@@H](C=O)C(C)(C)C 217687690 375418712 /nfs/dbraw/zinc/41/87/12/375418712.db2.gz HGGFOZRVRSJJBA-SSDOTTSWSA-N 0 0 172.224 1.411 10 0 ADAERN CCOC(=O)[C@H](C=O)C(C)(C)C 217687772 375418795 /nfs/dbraw/zinc/41/87/95/375418795.db2.gz HGGFOZRVRSJJBA-ZETCQYMHSA-N 0 0 172.224 1.411 10 0 ADAERN CNC(=O)[C@@H]1CCC[C@H]1C 219554613 375420408 /nfs/dbraw/zinc/42/04/08/375420408.db2.gz HNGMSJRHYPOWFR-RNFRBKRXSA-N 0 0 141.214 1.169 10 0 ADAERN CC(=O)CSc1nc(C)co1 219041192 375420718 /nfs/dbraw/zinc/42/07/18/375420718.db2.gz IFQFRIMYTQXSEG-UHFFFAOYSA-N 0 0 171.221 1.664 10 0 ADAERN Cc1nc2ccc(N)c(F)c2n1C 220137411 375421040 /nfs/dbraw/zinc/42/10/40/375421040.db2.gz GDPLLHTZVUIKBQ-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCO[C@H](C)C1 220138472 375421173 /nfs/dbraw/zinc/42/11/73/375421173.db2.gz RXPIKMSTLRJSGI-BKIAHZASSA-N 0 0 183.251 1.246 10 0 ADAERN C/C=C/C(=O)N[C@H]1CCO[C@@H](C)C1 220138336 375421179 /nfs/dbraw/zinc/42/11/79/375421179.db2.gz RXPIKMSTLRJSGI-FBFNWGNUSA-N 0 0 183.251 1.246 10 0 ADAERN C[C@@H]1O[C@H]1C(=O)OCc1ccccc1 222910553 375421806 /nfs/dbraw/zinc/42/18/06/375421806.db2.gz UHIKDVRJDKZQQU-WCBMZHEXSA-N 0 0 192.214 1.517 10 0 ADAERN C[C@@H]1O[C@@H]1C(=O)OCc1ccccc1 222910606 375421938 /nfs/dbraw/zinc/42/19/38/375421938.db2.gz UHIKDVRJDKZQQU-WPRPVWTQSA-N 0 0 192.214 1.517 10 0 ADAERN C[C@@H]1Nc2ccc(N)cc2N1 222909398 375421955 /nfs/dbraw/zinc/42/19/55/375421955.db2.gz SVYOCNVKLIGWAF-RXMQYKEDSA-N 0 0 149.197 1.452 10 0 ADAERN C[C@H]1O[C@H]1C(=O)OCc1ccccc1 222910495 375421983 /nfs/dbraw/zinc/42/19/83/375421983.db2.gz UHIKDVRJDKZQQU-PSASIEDQSA-N 0 0 192.214 1.517 10 0 ADAERN O[C@@H](c1ncco1)N1CCCCC1 222913850 375421988 /nfs/dbraw/zinc/42/19/88/375421988.db2.gz JJXBJSHGAFHFOC-VIFPVBQESA-N 0 0 182.223 1.151 10 0 ADAERN C[C@H]1Nc2ccc(N)cc2N1 222909459 375422004 /nfs/dbraw/zinc/42/20/04/375422004.db2.gz SVYOCNVKLIGWAF-YFKPBYRVSA-N 0 0 149.197 1.452 10 0 ADAERN C[C@@H]1CCC[C@@H](NC=O)CC1 227556745 375423286 /nfs/dbraw/zinc/42/32/86/375423286.db2.gz HVCROURMAWADJF-RKDXNWHRSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H]1CCC[C@H](NC=O)CC1 227556754 375423473 /nfs/dbraw/zinc/42/34/73/375423473.db2.gz HVCROURMAWADJF-IUCAKERBSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@@H]1CCC[C@H](NC=O)CC1 227556751 375423562 /nfs/dbraw/zinc/42/35/62/375423562.db2.gz HVCROURMAWADJF-BDAKNGLRSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H]1CCC[C@@H](NC=O)CC1 227556748 375423650 /nfs/dbraw/zinc/42/36/50/375423650.db2.gz HVCROURMAWADJF-DTWKUNHWSA-N 0 0 155.241 1.701 10 0 ADAERN CNC(=O)NCCC1=CCCC1 229008958 375423942 /nfs/dbraw/zinc/42/39/42/375423942.db2.gz IRYLSTGIHBBEEI-UHFFFAOYSA-N 0 0 168.240 1.416 10 0 ADAERN O=c1[nH]ccn1-c1ccc(F)c(F)c1 229014604 375424129 /nfs/dbraw/zinc/42/41/29/375424129.db2.gz YQNCHHDZDKDNDW-UHFFFAOYSA-N 0 0 196.156 1.444 10 0 ADAERN COC(=O)c1cc(C)c(C)cn1 231402844 375426370 /nfs/dbraw/zinc/42/63/70/375426370.db2.gz RLCXHTWJBGECCI-UHFFFAOYSA-N 0 0 165.192 1.485 10 0 ADAERN COCc1cc(Cl)c(C)[nH]c1=O 231401726 375426408 /nfs/dbraw/zinc/42/64/08/375426408.db2.gz LPPWJEKOVUKVAL-UHFFFAOYSA-N 0 0 187.626 1.483 10 0 ADAERN CC(C)Oc1[nH]ccc(=O)c1Cl 231401767 375426451 /nfs/dbraw/zinc/42/64/51/375426451.db2.gz UYGUTOUABXDZQX-UHFFFAOYSA-N 0 0 187.626 1.816 10 0 ADAERN CC(C)Cc1ncnc(Cl)n1 238179542 375427172 /nfs/dbraw/zinc/42/71/72/375427172.db2.gz QAFNQMTUVHEEAN-UHFFFAOYSA-N 0 0 171.631 1.724 10 0 ADAERN CC(C)(O)C/C=C/CCO 238182005 375427234 /nfs/dbraw/zinc/42/72/34/375427234.db2.gz HCNGZDSZXOUHIV-ONEGZZNKSA-N 0 0 144.214 1.086 10 0 ADAERN CC(C)(O)CCc1ccc(CO)o1 238178346 375427322 /nfs/dbraw/zinc/42/73/22/375427322.db2.gz AXUILAKXIVCYCE-UHFFFAOYSA-N 0 0 184.235 1.475 10 0 ADAERN CC1(C)OC[C@H]1CCCO 238180003 375427339 /nfs/dbraw/zinc/42/73/39/375427339.db2.gz HFJKQRFMSFPVDW-SSDOTTSWSA-N 0 0 144.214 1.184 10 0 ADAERN CC(=O)[C@@H]1[C@H]2CCC[C@H]21 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400187041 375501608 /nfs/dbraw/zinc/50/16/08/375501608.db2.gz UVVPTBGWIPKGDK-JTQLQIEISA-N 0 0 194.278 1.871 10 0 ADAERN CO[C@H](Cn1cnc(C)c1C)C1CC1 400180293 375501734 /nfs/dbraw/zinc/50/17/34/375501734.db2.gz RCEQOAJEIISBRN-LLVKDONJSA-N 0 0 194.278 1.925 10 0 ADAERN CCc1nccn1C[C@@H](OC)C1CC1 400187042 375501759 /nfs/dbraw/zinc/50/17/59/375501759.db2.gz UVVPTBGWIPKGDK-SNVBAGLBSA-N 0 0 194.278 1.871 10 0 ADAERN CO[C@@H](Cn1cnc(C)c1C)C1CC1 400180294 375501824 /nfs/dbraw/zinc/50/18/24/375501824.db2.gz RCEQOAJEIISBRN-NSHDSACASA-N 0 0 194.278 1.925 10 0 ADAERN CO[C@@H](Cn1ccsc1=O)C1CC1 400196212 375502046 /nfs/dbraw/zinc/50/20/46/375502046.db2.gz ZXYYJZIWCPZVBC-QMMMGPOBSA-N 0 0 199.275 1.335 10 0 ADAERN CO[C@@H](COc1cnn(C)c1)C1CC1 400286955 375503504 /nfs/dbraw/zinc/50/35/04/375503504.db2.gz OVPRMPAYCSLUNJ-JTQLQIEISA-N 0 0 196.250 1.224 10 0 ADAERN CO[C@H](COc1cnn(C)c1)C1CC1 400286956 375503642 /nfs/dbraw/zinc/50/36/42/375503642.db2.gz OVPRMPAYCSLUNJ-SNVBAGLBSA-N 0 0 196.250 1.224 10 0 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/nfs/dbraw/zinc/52/72/21/375527221.db2.gz QFDKYWLUNDDALE-OYNCUSHFSA-N 0 0 194.278 1.637 10 0 ADAERN CCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 403368623 375527950 /nfs/dbraw/zinc/52/79/50/375527950.db2.gz NZZIBADUPDYIQE-AEJSXWLSSA-N 0 0 181.279 1.949 10 0 ADAERN CCCNC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403259424 375528182 /nfs/dbraw/zinc/52/81/82/375528182.db2.gz XFKKWHRAYWBLGS-LPEHRKFASA-N 0 0 196.294 1.884 10 0 ADAERN CCCNC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 403259426 375528193 /nfs/dbraw/zinc/52/81/93/375528193.db2.gz XFKKWHRAYWBLGS-OPRDCNLKSA-N 0 0 196.294 1.884 10 0 ADAERN CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403368628 375528207 /nfs/dbraw/zinc/52/82/07/375528207.db2.gz NZZIBADUPDYIQE-OPRDCNLKSA-N 0 0 181.279 1.949 10 0 ADAERN CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 403435704 375528760 /nfs/dbraw/zinc/52/87/60/375528760.db2.gz ZPWRLHAQGBGRDI-IWSPIJDZSA-N 0 0 167.252 1.511 10 0 ADAERN NCc1noc([C@@H]2CC[C@@H]3C[C@@H]3C2)n1 403392326 375528774 /nfs/dbraw/zinc/52/87/74/375528774.db2.gz 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/nfs/dbraw/zinc/53/26/09/375532609.db2.gz DWFPRGOOEBFSMS-YFKPBYRVSA-N 0 0 192.234 1.886 10 0 ADAERN CN(C)C(=O)N(C)Cc1ccns1 404437285 375532683 /nfs/dbraw/zinc/53/26/83/375532683.db2.gz DHWBMSKXXJENJO-UHFFFAOYSA-N 0 0 199.279 1.257 10 0 ADAERN CCNC(=O)N(C)Cc1ccns1 404436077 375532780 /nfs/dbraw/zinc/53/27/80/375532780.db2.gz CLVKFGRGJSWKKN-UHFFFAOYSA-N 0 0 199.279 1.304 10 0 ADAERN C[C@@H](NCc1ccns1)C(F)F 404427097 375532943 /nfs/dbraw/zinc/53/29/43/375532943.db2.gz DWFPRGOOEBFSMS-RXMQYKEDSA-N 0 0 192.234 1.886 10 0 ADAERN CC(=O)N(C)Cc1ccns1 404418751 375532946 /nfs/dbraw/zinc/53/29/46/375532946.db2.gz UGGUYZDVZRELNA-UHFFFAOYSA-N 0 0 170.237 1.121 10 0 ADAERN CCC(=O)N(C)Cc1ccns1 404359537 375533057 /nfs/dbraw/zinc/53/30/57/375533057.db2.gz UMPGNLLOHMUMDH-UHFFFAOYSA-N 0 0 184.264 1.512 10 0 ADAERN c1cc(CNCc2ccns2)on1 404485043 375533698 /nfs/dbraw/zinc/53/36/98/375533698.db2.gz JTRIGOPJJYLECD-UHFFFAOYSA-N 0 0 195.247 1.421 10 0 ADAERN FC(F)CNCc1ccns1 404485454 375533766 /nfs/dbraw/zinc/53/37/66/375533766.db2.gz AZURQXXNIQJWHY-UHFFFAOYSA-N 0 0 178.207 1.498 10 0 ADAERN FCCNCc1ccns1 404469782 375534053 /nfs/dbraw/zinc/53/40/53/375534053.db2.gz LBOIIOHVCSAPOP-UHFFFAOYSA-N 0 0 160.217 1.202 10 0 ADAERN CN=[S@](C)(=O)c1cccc(F)c1 521399343 375540559 /nfs/dbraw/zinc/54/05/59/375540559.db2.gz HCVKPXQQCXGYLH-GFCCVEGCSA-N 0 0 187.239 1.912 10 0 ADAERN CC(=O)CN(C)Cc1ccns1 404498274 375535025 /nfs/dbraw/zinc/53/50/25/375535025.db2.gz UIZGGPAVIADYJP-UHFFFAOYSA-N 0 0 184.264 1.164 10 0 ADAERN CC[S@](=N)(=O)c1ccc(O)cc1 521399282 375540583 /nfs/dbraw/zinc/54/05/83/375540583.db2.gz ASGRNVFHCMZOPF-LBPRGKRZSA-N 0 0 185.248 1.818 10 0 ADAERN Cc1nsc(N2C[C@H](C)[C@H]2C)n1 408524735 375537703 /nfs/dbraw/zinc/53/77/03/375537703.db2.gz YNGSXVIKAZZVHV-NTSWFWBYSA-N 0 0 183.280 1.691 10 0 ADAERN Cc1nsc(N2C[C@@H](C)[C@H]2C)n1 408524736 375537983 /nfs/dbraw/zinc/53/79/83/375537983.db2.gz YNGSXVIKAZZVHV-PHDIDXHHSA-N 0 0 183.280 1.691 10 0 ADAERN CC(C)(CC(=O)NC1COC1)C1CC1 405855752 375538095 /nfs/dbraw/zinc/53/80/95/375538095.db2.gz NZRIPPGHANOWTI-UHFFFAOYSA-N 0 0 197.278 1.328 10 0 ADAERN Cc1nsc(N2C[C@H](C)[C@@H]2C)n1 408524738 375538159 /nfs/dbraw/zinc/53/81/59/375538159.db2.gz YNGSXVIKAZZVHV-WDSKDSINSA-N 0 0 183.280 1.691 10 0 ADAERN Cc1nsc(N2C[C@@H](C)[C@@H]2C)n1 408524737 375538179 /nfs/dbraw/zinc/53/81/79/375538179.db2.gz YNGSXVIKAZZVHV-RITPCOANSA-N 0 0 183.280 1.691 10 0 ADAERN CN=[S@](C)(=O)c1ccc(OC)cc1 521399397 375540021 /nfs/dbraw/zinc/54/00/21/375540021.db2.gz MWFDWIAWKIUIDF-CYBMUJFWSA-N 0 0 199.275 1.782 10 0 ADAERN CN=[S@@](C)(=O)c1cccc(F)c1 521399344 375540030 /nfs/dbraw/zinc/54/00/30/375540030.db2.gz HCVKPXQQCXGYLH-LBPRGKRZSA-N 0 0 187.239 1.912 10 0 ADAERN CN=[S@@](C)(=O)c1ccccc1OC 521399314 375540032 /nfs/dbraw/zinc/54/00/32/375540032.db2.gz DXURBDUQSXTRPO-ZDUSSCGKSA-N 0 0 199.275 1.782 10 0 ADAERN C[S@](=N)(=O)c1ccc(Cl)cn1 521399478 375540057 /nfs/dbraw/zinc/54/00/57/375540057.db2.gz QVZGDXJXCHABQZ-NSHDSACASA-N 0 0 190.655 1.770 10 0 ADAERN CN=[S@](C)(=O)c1ccccc1OC 521399313 375540065 /nfs/dbraw/zinc/54/00/65/375540065.db2.gz DXURBDUQSXTRPO-CYBMUJFWSA-N 0 0 199.275 1.782 10 0 ADAERN CN=[S@](C)(=O)c1ccccc1F 521399450 375540076 /nfs/dbraw/zinc/54/00/76/375540076.db2.gz ONUMHHIGFAPVFR-GFCCVEGCSA-N 0 0 187.239 1.912 10 0 ADAERN CC[S@](=N)(=O)c1cccc(O)c1 521399573 375540150 /nfs/dbraw/zinc/54/01/50/375540150.db2.gz ZLLHQFHEYQJEOQ-LBPRGKRZSA-N 0 0 185.248 1.818 10 0 ADAERN C[S@@](=N)(=O)c1ccc(Cl)cn1 521399477 375540241 /nfs/dbraw/zinc/54/02/41/375540241.db2.gz QVZGDXJXCHABQZ-LLVKDONJSA-N 0 0 190.655 1.770 10 0 ADAERN CN=[S@@](C)(=O)c1cccc(OC)c1 521399490 375540280 /nfs/dbraw/zinc/54/02/80/375540280.db2.gz SFQCKLXWVGJEAL-ZDUSSCGKSA-N 0 0 199.275 1.782 10 0 ADAERN CC[S@@](=N)(=O)c1cccc(O)c1 521399572 375540324 /nfs/dbraw/zinc/54/03/24/375540324.db2.gz ZLLHQFHEYQJEOQ-GFCCVEGCSA-N 0 0 185.248 1.818 10 0 ADAERN CN=[S@@](C)(=O)c1ccccc1F 521399451 375540550 /nfs/dbraw/zinc/54/05/50/375540550.db2.gz ONUMHHIGFAPVFR-LBPRGKRZSA-N 0 0 187.239 1.912 10 0 ADAERN CN=[S@](C)(=O)c1ccc(F)cc1 521399391 375540604 /nfs/dbraw/zinc/54/06/04/375540604.db2.gz MHNHQQDWCSFBMZ-GFCCVEGCSA-N 0 0 187.239 1.912 10 0 ADAERN CN=[S@](C)(=O)c1ccncc1 521399543 375540664 /nfs/dbraw/zinc/54/06/64/375540664.db2.gz XKJHIDQXEIMZSA-LLVKDONJSA-N 0 0 170.237 1.168 10 0 ADAERN CC[S@@](=N)(=O)c1ccc(O)cc1 521399281 375540771 /nfs/dbraw/zinc/54/07/71/375540771.db2.gz ASGRNVFHCMZOPF-GFCCVEGCSA-N 0 0 185.248 1.818 10 0 ADAERN CN=[S@@](C)(=O)c1ccc(F)cc1 521399392 375540790 /nfs/dbraw/zinc/54/07/90/375540790.db2.gz MHNHQQDWCSFBMZ-LBPRGKRZSA-N 0 0 187.239 1.912 10 0 ADAERN CN=[S@](C)(=O)c1ccoc1C 521399714 375541691 /nfs/dbraw/zinc/54/16/91/375541691.db2.gz JLVSVQQZQVSHHP-LLVKDONJSA-N 0 0 173.237 1.675 10 0 ADAERN C[C@]1(c2ccccc2)C[C@@]1([NH3+])C(=O)[O-] 521399787 375541807 /nfs/dbraw/zinc/54/18/07/375541807.db2.gz OUCAXEAXUFGYFI-GHMZBOCLSA-N 0 0 191.230 1.130 10 0 ADAERN Cc1cccnc1F 575088828 375547045 /nfs/dbraw/zinc/54/70/45/375547045.db2.gz HHUCDVJQHZDZNU-UHFFFAOYSA-N 0 0 111.119 1.459 10 0 in-vitro ADAERN CC1=NC=S=C1 575088839 375547090 /nfs/dbraw/zinc/54/70/90/375547090.db2.gz RFYWCQKKPKIIMA-UHFFFAOYSA-N 0 0 99.158 1.101 10 0 ADAERN Fc1cncc(F)c1 575088832 375547097 /nfs/dbraw/zinc/54/70/97/375547097.db2.gz PISXDNUTBMRRPB-UHFFFAOYSA-N 0 0 114.074 1.538 10 0 ADAERN BrC1=NC=S=C1 575088835 375547104 /nfs/dbraw/zinc/54/71/04/375547104.db2.gz QFBUSUHSWDQXHM-UHFFFAOYSA-N 0 0 164.027 1.433 10 0 in-vitro ADAERN COC[C@@H]1CC(=O)[C@@H](C)C1 575449709 375547771 /nfs/dbraw/zinc/54/77/71/375547771.db2.gz NJPMEDILDLMXAG-BQBZGAKWSA-N 0 0 142.198 1.248 10 0 ADAERN CC(=O)c1cccc(-n2cccn2)n1 584614010 375553225 /nfs/dbraw/zinc/55/32/25/375553225.db2.gz VZKLWMVTLJBTMQ-UHFFFAOYSA-N 0 0 187.202 1.470 10 0 ADAERN N#CNc1cc(N)ccc1Cl 575454357 375548618 /nfs/dbraw/zinc/54/86/18/375548618.db2.gz IXIDCJHERVLNOV-UHFFFAOYSA-N 0 0 167.599 1.815 10 0 ADAERN O=C1CCOC[C@@H]1CC1CC=CC1 575454362 375548636 /nfs/dbraw/zinc/54/86/36/375548636.db2.gz RUYCBYBAJRTAOD-JTQLQIEISA-N 0 0 180.247 1.948 10 0 ADAERN Cn1c([Si](C)(C)C)cnc1Cl 575454358 375548642 /nfs/dbraw/zinc/54/86/42/375548642.db2.gz URLXTSIOSRPIQS-UHFFFAOYSA-N 0 0 188.734 1.619 10 0 ADAERN Cn1[nH]c(-c2ccns2)nc1=S 575470519 375549472 /nfs/dbraw/zinc/54/94/72/375549472.db2.gz AIQRKICSPSDPMR-UHFFFAOYSA-N 0 0 198.276 1.601 10 0 ADAERN CC[C@@H]1CS[C@H](c2cn[nH]c2)N1 575470512 375549489 /nfs/dbraw/zinc/54/94/89/375549489.db2.gz ZIKJSIUAWUSXLT-HTQZYQBOSA-N 0 0 183.280 1.523 10 0 ADAERN C[C@@]1(CN2CCNC2=O)CC1(F)F 575470577 375549565 /nfs/dbraw/zinc/54/95/65/375549565.db2.gz PFHBGQMZFTVSJL-ZETCQYMHSA-N 0 0 190.193 1.057 10 0 ADAERN C[C@]1(CN2CCNC2=O)CC1(F)F 575470576 375549578 /nfs/dbraw/zinc/54/95/78/375549578.db2.gz PFHBGQMZFTVSJL-SSDOTTSWSA-N 0 0 190.193 1.057 10 0 ADAERN CC[C@H]1CS[C@H](c2cn[nH]c2)N1 575470516 375549619 /nfs/dbraw/zinc/54/96/19/375549619.db2.gz ZIKJSIUAWUSXLT-JGVFFNPUSA-N 0 0 183.280 1.523 10 0 ADAERN CC[C@H]1CS[C@@H](c2cn[nH]c2)N1 575470518 375549662 /nfs/dbraw/zinc/54/96/62/375549662.db2.gz ZIKJSIUAWUSXLT-YUMQZZPRSA-N 0 0 183.280 1.523 10 0 ADAERN CC[C@@H]1CS[C@@H](c2cn[nH]c2)N1 575470517 375549688 /nfs/dbraw/zinc/54/96/88/375549688.db2.gz ZIKJSIUAWUSXLT-SFYZADRCSA-N 0 0 183.280 1.523 10 0 ADAERN Fc1nccc(Sc2ncc[nH]2)n1 575470571 375549711 /nfs/dbraw/zinc/54/97/11/375549711.db2.gz IKAMDUKMYVVAKK-UHFFFAOYSA-N 0 0 196.210 1.490 10 0 ADAERN Cc1nn(CC(C)(F)F)cc1N 575594640 375551135 /nfs/dbraw/zinc/55/11/35/375551135.db2.gz KWPOKBHLIAYMJY-UHFFFAOYSA-N 0 0 175.182 1.429 10 0 ADAERN CC(F)(F)Cn1cc(N)ccc1=O 575594648 375551171 /nfs/dbraw/zinc/55/11/71/375551171.db2.gz LALOQWQDGNQFII-UHFFFAOYSA-N 0 0 188.177 1.086 10 0 ADAERN CSc1cc(F)cc(O)c1CO 575702979 375551995 /nfs/dbraw/zinc/55/19/95/375551995.db2.gz JHNNOLAJLZICDL-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN CCc1ccc(OC)c(F)c1CO 575703112 375552104 /nfs/dbraw/zinc/55/21/04/375552104.db2.gz XDLCKDGCDAIBEV-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1cc(OC)c(F)cc1CO 575703158 375552200 /nfs/dbraw/zinc/55/22/00/375552200.db2.gz XZIOSQUDRVATIN-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCc1cc(OC)cc(CO)c1F 575703087 375552289 /nfs/dbraw/zinc/55/22/89/375552289.db2.gz WNCQIZCQHIEPIT-UHFFFAOYSA-N 0 0 184.210 1.889 10 0 ADAERN CCOC(=O)C/C=C/[C@H](C)F 584602883 375552511 /nfs/dbraw/zinc/55/25/11/375552511.db2.gz ASGLSZRRKARGJQ-KPJROHGDSA-N 0 0 160.188 1.854 10 0 ADAERN CCOC(=O)C/C=C/[C@@H](C)F 584602886 375552518 /nfs/dbraw/zinc/55/25/18/375552518.db2.gz ASGLSZRRKARGJQ-SMMXGFFBSA-N 0 0 160.188 1.854 10 0 ADAERN COC(=O)O[C@@H](C)C1CC1 584614000 375553338 /nfs/dbraw/zinc/55/33/38/375553338.db2.gz UVQSZJZRPVHVJM-YFKPBYRVSA-N 0 0 144.170 1.568 10 0 ADAERN C=C(OC(=O)N(C)C)c1ccccn1 584613992 375553567 /nfs/dbraw/zinc/55/35/67/375553567.db2.gz UFCBIPOLRBPYEQ-UHFFFAOYSA-N 0 0 192.218 1.751 10 0 ADAERN COC(=O)O[C@H](C)C1CC1 584613971 375553600 /nfs/dbraw/zinc/55/36/00/375553600.db2.gz UVQSZJZRPVHVJM-RXMQYKEDSA-N 0 0 144.170 1.568 10 0 ADAERN Cc1c(C)[n+]([O-])cn1C(C)(C)C 584621105 375554120 /nfs/dbraw/zinc/55/41/20/375554120.db2.gz UITRSNRRNCRKPE-UHFFFAOYSA-N 0 0 168.240 1.493 10 0 ADAERN Fc1ccc(C2=NCCO2)c(F)c1 584621356 375554147 /nfs/dbraw/zinc/55/41/47/375554147.db2.gz GBBDKWUPTMJKEW-UHFFFAOYSA-N 0 0 183.157 1.742 10 0 ADAERN c1cnc(OCc2ccco2)nc1 584621295 375554155 /nfs/dbraw/zinc/55/41/55/375554155.db2.gz LWJYZAPYMHPVJS-UHFFFAOYSA-N 0 0 176.175 1.649 10 0 ADAERN Cc1cc(C)n(-c2ncccn2)c1 584621393 375554208 /nfs/dbraw/zinc/55/42/08/375554208.db2.gz JTIDYUYKMUQDOT-UHFFFAOYSA-N 0 0 173.219 1.884 10 0 ADAERN Fc1cc(F)cc(C2=NCCO2)c1 584621364 375554210 /nfs/dbraw/zinc/55/42/10/375554210.db2.gz ABFMJTXNUYSKEB-UHFFFAOYSA-N 0 0 183.157 1.742 10 0 ADAERN CCON(O)C[Si](C)(C)C 584651589 375555228 /nfs/dbraw/zinc/55/52/28/375555228.db2.gz MHIFKTDKYNWFEI-UHFFFAOYSA-N 0 0 163.293 1.507 10 0 ADAERN CNOc1ccc(CCC(C)=O)cc1 584651945 375555383 /nfs/dbraw/zinc/55/53/83/375555383.db2.gz PZAUTQBPWZORNA-UHFFFAOYSA-N 0 0 193.246 1.721 10 0 ADAERN C1=CCN(OCc2ccccc2)C1 584651640 375555399 /nfs/dbraw/zinc/55/53/99/375555399.db2.gz ATQSKDLACPVSLM-UHFFFAOYSA-N 0 0 175.231 1.990 10 0 ADAERN CCOP1C[C@@]2(C)O[C@@]2(C)C1 584651962 375555541 /nfs/dbraw/zinc/55/55/41/375555541.db2.gz RYNTXGZPMKEDBJ-OQJHAAMPSA-N 0 0 174.180 1.981 10 0 ADAERN CSC[C@H](C)NC(=O)[C@H]1CC12CC2 591509841 375561069 /nfs/dbraw/zinc/56/10/69/375561069.db2.gz DXNUOFXCDRRLQO-JGVFFNPUSA-N 0 0 199.319 1.654 10 0 ADAERN CSC[C@H](C)NC(=O)[C@@H]1CC12CC2 591509844 375561095 /nfs/dbraw/zinc/56/10/95/375561095.db2.gz DXNUOFXCDRRLQO-YUMQZZPRSA-N 0 0 199.319 1.654 10 0 ADAERN CSC[C@@H](C)NC(=O)[C@@H]1CC12CC2 591509843 375561102 /nfs/dbraw/zinc/56/11/02/375561102.db2.gz DXNUOFXCDRRLQO-SFYZADRCSA-N 0 0 199.319 1.654 10 0 ADAERN O=C(C1CC1)N1CC2(CCOCC2)C1 646007609 375570217 /nfs/dbraw/zinc/57/02/17/375570217.db2.gz LCTLIBRHFVKYKC-UHFFFAOYSA-N 0 0 195.262 1.035 10 0 ADAERN CC(C)C(=O)N1CC2(CCOCC2)C1 646008437 375570323 /nfs/dbraw/zinc/57/03/23/375570323.db2.gz QPBKOBHIYGNLLR-UHFFFAOYSA-N 0 0 197.278 1.281 10 0 ADAERN CC(=O)C1(C(=O)N2CC(C)(C)C2)CC1 646115023 375576821 /nfs/dbraw/zinc/57/68/21/375576821.db2.gz HVDLJLRCJDEKBJ-UHFFFAOYSA-N 0 0 195.262 1.224 10 0 ADAERN CCCCCN1CN(C)C(=O)[C@H]1C 646123653 375577483 /nfs/dbraw/zinc/57/74/83/375577483.db2.gz CSAHNPZASXCLSA-SECBINFHSA-N 0 0 184.283 1.297 10 0 ADAERN C[C@@H]1C(=O)N(C)CN1CCC(C)(C)C 646124219 375577498 /nfs/dbraw/zinc/57/74/98/375577498.db2.gz HHHSVTDNHUJMAP-SECBINFHSA-N 0 0 198.310 1.543 10 0 ADAERN C[C@H]1C(=O)N(C)CN1CCC(C)(C)C 646124220 375577528 /nfs/dbraw/zinc/57/75/28/375577528.db2.gz HHHSVTDNHUJMAP-VIFPVBQESA-N 0 0 198.310 1.543 10 0 ADAERN CC(C)CCN1CN(C)C(=O)[C@H]1C 646122000 375577558 /nfs/dbraw/zinc/57/75/58/375577558.db2.gz IQQDVRNYPUZCTK-SECBINFHSA-N 0 0 184.283 1.153 10 0 ADAERN CC[C@@H](C)CN1CN(C)C(=O)[C@@H]1C 646123858 375577591 /nfs/dbraw/zinc/57/75/91/375577591.db2.gz FTTLNXWTVXUWSD-BDAKNGLRSA-N 0 0 184.283 1.153 10 0 ADAERN CC(C)CCN1CN(C)C(=O)[C@@H]1C 646122001 375577624 /nfs/dbraw/zinc/57/76/24/375577624.db2.gz IQQDVRNYPUZCTK-VIFPVBQESA-N 0 0 184.283 1.153 10 0 ADAERN CCCCCN1CN(C)C(=O)[C@@H]1C 646123654 375577650 /nfs/dbraw/zinc/57/76/50/375577650.db2.gz CSAHNPZASXCLSA-VIFPVBQESA-N 0 0 184.283 1.297 10 0 ADAERN C[C@@H]1C(=O)N(C)CN1CC1CCCC1 646123236 375577675 /nfs/dbraw/zinc/57/76/75/375577675.db2.gz MZUJWKZWGSEMPY-SECBINFHSA-N 0 0 196.294 1.297 10 0 ADAERN C[C@@H]1C(=O)N(C)CN1[C@@H]1C=CCCC1 646124615 375577710 /nfs/dbraw/zinc/57/77/10/375577710.db2.gz SCTASQXUZNYZSG-NXEZZACHSA-N 0 0 194.278 1.215 10 0 ADAERN CC1(F)CN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 646123176 375577753 /nfs/dbraw/zinc/57/77/53/375577753.db2.gz FPONSJCYSRARJC-BDAKNGLRSA-N 0 0 197.253 1.603 10 0 ADAERN C[C@@H]1C(=O)N(C)CN1[C@H]1C=CCCC1 646124618 375577872 /nfs/dbraw/zinc/57/78/72/375577872.db2.gz SCTASQXUZNYZSG-ZJUUUORDSA-N 0 0 194.278 1.215 10 0 ADAERN CC[C@@H](C)CN1CN(C)C(=O)[C@H]1C 646123861 375577884 /nfs/dbraw/zinc/57/78/84/375577884.db2.gz FTTLNXWTVXUWSD-RKDXNWHRSA-N 0 0 184.283 1.153 10 0 ADAERN CC(C)=CCN1CN(C)C(=O)[C@@H]1C 646122355 375577933 /nfs/dbraw/zinc/57/79/33/375577933.db2.gz QGFXJMFKWGTBTO-VIFPVBQESA-N 0 0 182.267 1.073 10 0 ADAERN C[C@H]1C(=O)N(C)CN1CC1CCCC1 646123237 375578082 /nfs/dbraw/zinc/57/80/82/375578082.db2.gz MZUJWKZWGSEMPY-VIFPVBQESA-N 0 0 196.294 1.297 10 0 ADAERN CC[C@H](C)CN1CN(C)C(=O)[C@H]1C 646123859 375578115 /nfs/dbraw/zinc/57/81/15/375578115.db2.gz FTTLNXWTVXUWSD-DTWKUNHWSA-N 0 0 184.283 1.153 10 0 ADAERN C[C@H]1C(=O)N(C)CN1[C@H]1C=CCCC1 646124616 375578121 /nfs/dbraw/zinc/57/81/21/375578121.db2.gz SCTASQXUZNYZSG-UWVGGRQHSA-N 0 0 194.278 1.215 10 0 ADAERN CC(C)=CCN1CN(C)C(=O)[C@H]1C 646122354 375578136 /nfs/dbraw/zinc/57/81/36/375578136.db2.gz QGFXJMFKWGTBTO-SECBINFHSA-N 0 0 182.267 1.073 10 0 ADAERN CC[C@H](C)CN1CN(C)C(=O)[C@@H]1C 646123860 375578142 /nfs/dbraw/zinc/57/81/42/375578142.db2.gz FTTLNXWTVXUWSD-IUCAKERBSA-N 0 0 184.283 1.153 10 0 ADAERN C[C@H]1C(=O)N(C)CN1[C@@H]1C=CCCC1 646124617 375578157 /nfs/dbraw/zinc/57/81/57/375578157.db2.gz SCTASQXUZNYZSG-VHSXEESVSA-N 0 0 194.278 1.215 10 0 ADAERN CCC[C@H](C)N1CN(C)C(=O)[C@@H]1C 646127902 375578853 /nfs/dbraw/zinc/57/88/53/375578853.db2.gz WXCJIMSRAFECGL-IUCAKERBSA-N 0 0 184.283 1.295 10 0 ADAERN CC(C)C[C@@H](C)N1CN(C)C(=O)[C@@H]1C 646126832 375578871 /nfs/dbraw/zinc/57/88/71/375578871.db2.gz FAVILYUBDAKFSX-ZJUUUORDSA-N 0 0 198.310 1.541 10 0 ADAERN CC(C)CCCN1CN(C)C(=O)[C@@H]1C 646126625 375578881 /nfs/dbraw/zinc/57/88/81/375578881.db2.gz ASZNHHVZKVNFAR-JTQLQIEISA-N 0 0 198.310 1.543 10 0 ADAERN C[C@H]1C(=O)N(C)CN1CC1=CCCC1 646127612 375578913 /nfs/dbraw/zinc/57/89/13/375578913.db2.gz OSCZMBBTQMDRRZ-VIFPVBQESA-N 0 0 194.278 1.217 10 0 ADAERN C[C@H]1C(=O)N(C)CN1CC1(C)CCC1 646127379 375578946 /nfs/dbraw/zinc/57/89/46/375578946.db2.gz LBQKXQXJUPTSTD-VIFPVBQESA-N 0 0 196.294 1.297 10 0 ADAERN C[C@@H]1C(=O)N(C)CN1C1CCCC1 646126236 375578982 /nfs/dbraw/zinc/57/89/82/375578982.db2.gz GWGVLYNVIIKYHY-MRVPVSSYSA-N 0 0 182.267 1.049 10 0 ADAERN C[C@@H]1C(=O)N(C)CN1CC1=CCCC1 646127611 375579004 /nfs/dbraw/zinc/57/90/04/375579004.db2.gz OSCZMBBTQMDRRZ-SECBINFHSA-N 0 0 194.278 1.217 10 0 ADAERN CCC[C@H](C)N1CN(C)C(=O)[C@H]1C 646127901 375579006 /nfs/dbraw/zinc/57/90/06/375579006.db2.gz WXCJIMSRAFECGL-DTWKUNHWSA-N 0 0 184.283 1.295 10 0 ADAERN CC(C)C[C@H](C)N1CN(C)C(=O)[C@H]1C 646126831 375579020 /nfs/dbraw/zinc/57/90/20/375579020.db2.gz FAVILYUBDAKFSX-VHSXEESVSA-N 0 0 198.310 1.541 10 0 ADAERN CC/C=C/CCN1CN(C)C(=O)[C@@H]1C 646126270 375579042 /nfs/dbraw/zinc/57/90/42/375579042.db2.gz HNQLYJPTLOESOS-PORFMDCZSA-N 0 0 196.294 1.463 10 0 ADAERN CC/C=C\CCN1CN(C)C(=O)[C@H]1C 646126271 375579080 /nfs/dbraw/zinc/57/90/80/375579080.db2.gz HNQLYJPTLOESOS-WWQCOOJYSA-N 0 0 196.294 1.463 10 0 ADAERN CC(C)CCCN1CN(C)C(=O)[C@H]1C 646126626 375579121 /nfs/dbraw/zinc/57/91/21/375579121.db2.gz ASZNHHVZKVNFAR-SNVBAGLBSA-N 0 0 198.310 1.543 10 0 ADAERN CCC[C@@H](C)N1CN(C)C(=O)[C@H]1C 646127903 375579124 /nfs/dbraw/zinc/57/91/24/375579124.db2.gz WXCJIMSRAFECGL-RKDXNWHRSA-N 0 0 184.283 1.295 10 0 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C[C@H](O)C(=O)NC(C)(C)C(C)(C)C 647094395 375622968 /nfs/dbraw/zinc/62/29/68/375622968.db2.gz NLVRTYNRQVSPRO-ZETCQYMHSA-N 0 0 187.283 1.308 10 0 ADAERN CO[C@@H](COc1nc(C)no1)C1CC1 647118027 375623014 /nfs/dbraw/zinc/62/30/14/375623014.db2.gz GUDYBLHJUUJAIL-QMMMGPOBSA-N 0 0 198.222 1.182 10 0 ADAERN CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H]1C 647314421 375641820 /nfs/dbraw/zinc/64/18/20/375641820.db2.gz IPTGCFSUVIMNFE-DOLQZWNJSA-N 0 0 197.278 1.278 10 0 ADAERN c1cn(CCC[C@H]2CCOC2)nn1 647121810 375623687 /nfs/dbraw/zinc/62/36/87/375623687.db2.gz FUIQAWWAVOGSDF-VIFPVBQESA-N 0 0 181.239 1.095 10 0 ADAERN CCOCCn1cccc(F)c1=O 647138299 375623893 /nfs/dbraw/zinc/62/38/93/375623893.db2.gz HIUQGYNKTGESJF-UHFFFAOYSA-N 0 0 185.198 1.024 10 0 ADAERN O=c1cccnn1CC1=CCCC1 647158395 375623948 /nfs/dbraw/zinc/62/39/48/375623948.db2.gz DBUDXRDJDBFVTC-UHFFFAOYSA-N 0 0 176.219 1.354 10 0 ADAERN C[C@H]1CC(=O)N(CC2=CCCC2)C1=O 647157968 375624086 /nfs/dbraw/zinc/62/40/86/375624086.db2.gz DMKIUYABBDQLDL-QMMMGPOBSA-N 0 0 193.246 1.492 10 0 ADAERN c1cn(CCC[C@@H]2CCOC2)nn1 647121809 375624180 /nfs/dbraw/zinc/62/41/80/375624180.db2.gz FUIQAWWAVOGSDF-SECBINFHSA-N 0 0 181.239 1.095 10 0 ADAERN O=c1c(F)cncn1CC1=CCCC1 647128520 375624237 /nfs/dbraw/zinc/62/42/37/375624237.db2.gz HIQDLWOELBXKDJ-UHFFFAOYSA-N 0 0 194.209 1.493 10 0 ADAERN C[C@@H]1CC(=O)N(CC2=CCCC2)C1=O 647157967 375624291 /nfs/dbraw/zinc/62/42/91/375624291.db2.gz DMKIUYABBDQLDL-MRVPVSSYSA-N 0 0 193.246 1.492 10 0 ADAERN COC[C@@H]1CCN1C(=O)CC(C)(C)C 647159794 375624959 /nfs/dbraw/zinc/62/49/59/375624959.db2.gz IPIZAAXHUZHDSH-VIFPVBQESA-N 0 0 199.294 1.670 10 0 ADAERN CC1(C)CC(Cc2nc(CN)no2)C1 647159590 375624990 /nfs/dbraw/zinc/62/49/90/375624990.db2.gz LKTZCHLTAKEUSZ-UHFFFAOYSA-N 0 0 195.266 1.507 10 0 ADAERN COC[C@H]1CCN1C(=O)CCC(C)C 647159818 375625040 /nfs/dbraw/zinc/62/50/40/375625040.db2.gz XJFGPQMERMQTFL-SNVBAGLBSA-N 0 0 199.294 1.670 10 0 ADAERN COC[C@@H]1CCN1C(=O)C1CCC1 647159706 375625062 /nfs/dbraw/zinc/62/50/62/375625062.db2.gz CKPQULVHGZLNRB-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN CCCC(C)(C)Cc1nc(CN)no1 647159537 375625122 /nfs/dbraw/zinc/62/51/22/375625122.db2.gz BPBBQAMDBFBWIT-UHFFFAOYSA-N 0 0 197.282 1.897 10 0 ADAERN COC[C@H]1CCN1C(=O)CC(C)(C)C 647159793 375625179 /nfs/dbraw/zinc/62/51/79/375625179.db2.gz IPIZAAXHUZHDSH-SECBINFHSA-N 0 0 199.294 1.670 10 0 ADAERN CCCCCC(=O)N1CC[C@H]1COC 647159757 375625221 /nfs/dbraw/zinc/62/52/21/375625221.db2.gz VFPJQBAMJYHALO-JTQLQIEISA-N 0 0 199.294 1.814 10 0 ADAERN CCCCCC(=O)N1CC[C@@H]1COC 647159758 375625255 /nfs/dbraw/zinc/62/52/55/375625255.db2.gz VFPJQBAMJYHALO-SNVBAGLBSA-N 0 0 199.294 1.814 10 0 ADAERN CC1(Cc2nc(CN)no2)CCCC1 647159632 375625259 /nfs/dbraw/zinc/62/52/59/375625259.db2.gz WICVSMCBYDLQLS-UHFFFAOYSA-N 0 0 195.266 1.651 10 0 ADAERN CC(C)CCCc1nc(CN)no1 647159445 375625374 /nfs/dbraw/zinc/62/53/74/375625374.db2.gz ZCVNBRYIDZJKGH-UHFFFAOYSA-N 0 0 183.255 1.507 10 0 ADAERN C[C@@]1(c2nc(CN)no2)C[C@@H]2C[C@@H]2C1 647159533 375625403 /nfs/dbraw/zinc/62/54/03/375625403.db2.gz BARZJYFXIBOORL-MTBHXBHISA-N 0 0 193.250 1.216 10 0 ADAERN COC[C@H]1CCN1C(=O)C1CCC1 647159705 375625482 /nfs/dbraw/zinc/62/54/82/375625482.db2.gz CKPQULVHGZLNRB-SECBINFHSA-N 0 0 183.251 1.034 10 0 ADAERN COC[C@@H]1CCN1C(=O)CCC(C)C 647159817 375625695 /nfs/dbraw/zinc/62/56/95/375625695.db2.gz XJFGPQMERMQTFL-JTQLQIEISA-N 0 0 199.294 1.670 10 0 ADAERN C/C=C/C=C\c1nc(CN)no1 647160038 375626463 /nfs/dbraw/zinc/62/64/63/375626463.db2.gz DWEPZMBVBBOBOA-IAROGAJJSA-N 0 0 165.196 1.118 10 0 ADAERN COC[C@@H]1CCN1C(=O)CCC1CC1 647160189 375626516 /nfs/dbraw/zinc/62/65/16/375626516.db2.gz UHBLIPKJCSYKIZ-JTQLQIEISA-N 0 0 197.278 1.424 10 0 ADAERN c1cnn(OCCC[C@H]2CCOC2)c1 647160101 375626636 /nfs/dbraw/zinc/62/66/36/375626636.db2.gz RHUYLLXRCXZKBQ-JTQLQIEISA-N 0 0 196.250 1.128 10 0 ADAERN c1cnn(OCCC[C@@H]2CCOC2)c1 647160102 375626800 /nfs/dbraw/zinc/62/68/00/375626800.db2.gz RHUYLLXRCXZKBQ-SNVBAGLBSA-N 0 0 196.250 1.128 10 0 ADAERN COC[C@@H]1CCN1C(=O)[C@H](C)C1CC1 647160325 375626735 /nfs/dbraw/zinc/62/67/35/375626735.db2.gz DZIWBSAWDFNFHN-SCZZXKLOSA-N 0 0 197.278 1.280 10 0 ADAERN COC[C@@H]1CCN1C(=O)[C@@H](C)C1CC1 647160327 375626742 /nfs/dbraw/zinc/62/67/42/375626742.db2.gz DZIWBSAWDFNFHN-WPRPVWTQSA-N 0 0 197.278 1.280 10 0 ADAERN COC[C@@H]1CCN1C(=O)CC1CCC1 647160004 375626839 /nfs/dbraw/zinc/62/68/39/375626839.db2.gz UTSVMJDNLCIJSM-JTQLQIEISA-N 0 0 197.278 1.424 10 0 ADAERN CC[C@@H](C)CC(=O)N1CC[C@@H]1COC 647160358 375626863 /nfs/dbraw/zinc/62/68/63/375626863.db2.gz ZOYNASIPIABKEV-NXEZZACHSA-N 0 0 199.294 1.670 10 0 ADAERN COC[C@H]1CCN1C(=O)[C@H](C)C1CC1 647160324 375626963 /nfs/dbraw/zinc/62/69/63/375626963.db2.gz DZIWBSAWDFNFHN-PSASIEDQSA-N 0 0 197.278 1.280 10 0 ADAERN C1=C(COCCc2cn[nH]n2)CCC1 647160121 375626966 /nfs/dbraw/zinc/62/69/66/375626966.db2.gz UTUKZAZMEJKJTQ-UHFFFAOYSA-N 0 0 193.250 1.474 10 0 ADAERN CC(C)[C@H]1C[C@@H]1c1nc(CN)no1 647159909 375626974 /nfs/dbraw/zinc/62/69/74/375626974.db2.gz RZOMVLVMFUDQDP-RQJHMYQMSA-N 0 0 181.239 1.288 10 0 ADAERN COC[C@H]1CCN1C(=O)CC1CCC1 647160005 375626988 /nfs/dbraw/zinc/62/69/88/375626988.db2.gz UTSVMJDNLCIJSM-SNVBAGLBSA-N 0 0 197.278 1.424 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1c1nc(CN)no1 647159906 375626990 /nfs/dbraw/zinc/62/69/90/375626990.db2.gz RZOMVLVMFUDQDP-BQBZGAKWSA-N 0 0 181.239 1.288 10 0 ADAERN CC(C)[C@@H]1C[C@H]1c1nc(CN)no1 647159907 375627042 /nfs/dbraw/zinc/62/70/42/375627042.db2.gz RZOMVLVMFUDQDP-NKWVEPMBSA-N 0 0 181.239 1.288 10 0 ADAERN CC(C)C[C@@H](C)c1nc(CN)no1 647159890 375627048 /nfs/dbraw/zinc/62/70/48/375627048.db2.gz QWBOQOZNBZNDCI-SSDOTTSWSA-N 0 0 183.255 1.678 10 0 ADAERN COC[C@H]1CCN1C(=O)CCC1CC1 647160190 375627124 /nfs/dbraw/zinc/62/71/24/375627124.db2.gz UHBLIPKJCSYKIZ-SNVBAGLBSA-N 0 0 197.278 1.424 10 0 ADAERN COC[C@H]1CCN1C(=O)[C@@H](C)C1CC1 647160326 375627177 /nfs/dbraw/zinc/62/71/77/375627177.db2.gz DZIWBSAWDFNFHN-WCBMZHEXSA-N 0 0 197.278 1.280 10 0 ADAERN C/C=C/C=C/c1nc(CN)no1 647160039 375627192 /nfs/dbraw/zinc/62/71/92/375627192.db2.gz DWEPZMBVBBOBOA-MQQKCMAXSA-N 0 0 165.196 1.118 10 0 ADAERN CC(C)[C@H]1C[C@H]1c1nc(CN)no1 647159908 375627207 /nfs/dbraw/zinc/62/72/07/375627207.db2.gz RZOMVLVMFUDQDP-RNFRBKRXSA-N 0 0 181.239 1.288 10 0 ADAERN CC(C)C[C@H](C)c1nc(CN)no1 647159891 375627221 /nfs/dbraw/zinc/62/72/21/375627221.db2.gz QWBOQOZNBZNDCI-ZETCQYMHSA-N 0 0 183.255 1.678 10 0 ADAERN COC[C@H]1CCN1C(=O)[C@@H](C)C(C)C 647160424 375628016 /nfs/dbraw/zinc/62/80/16/375628016.db2.gz QWBALQCICZVBPK-VHSXEESVSA-N 0 0 199.294 1.526 10 0 ADAERN COC[C@@H]1CCN1C(=O)[C@H](C)C(C)C 647160425 375627736 /nfs/dbraw/zinc/62/77/36/375627736.db2.gz QWBALQCICZVBPK-ZJUUUORDSA-N 0 0 199.294 1.526 10 0 ADAERN CC[C@H](C)CC(=O)N1CC[C@H]1COC 647160359 375627747 /nfs/dbraw/zinc/62/77/47/375627747.db2.gz ZOYNASIPIABKEV-UWVGGRQHSA-N 0 0 199.294 1.670 10 0 ADAERN COC[C@@H]1CCN1C(=O)[C@@H](C)C(C)C 647160423 375627753 /nfs/dbraw/zinc/62/77/53/375627753.db2.gz QWBALQCICZVBPK-UWVGGRQHSA-N 0 0 199.294 1.526 10 0 ADAERN COC[C@H]1CCN1C(=O)[C@H](C)C(C)C 647160422 375627775 /nfs/dbraw/zinc/62/77/75/375627775.db2.gz QWBALQCICZVBPK-NXEZZACHSA-N 0 0 199.294 1.526 10 0 ADAERN CC[C@H](C)C(=O)N1CC[C@@H]1COC 647160399 375627798 /nfs/dbraw/zinc/62/77/98/375627798.db2.gz MXYMLIQYRFHXDY-DTWKUNHWSA-N 0 0 185.267 1.280 10 0 ADAERN CCCC(=O)N1CC[C@H]1COC 647160843 375627820 /nfs/dbraw/zinc/62/78/20/375627820.db2.gz KVZZRKYQXAUBSS-QMMMGPOBSA-N 0 0 171.240 1.034 10 0 ADAERN CC[C@H](C)CC(=O)N1CC[C@@H]1COC 647160360 375627831 /nfs/dbraw/zinc/62/78/31/375627831.db2.gz ZOYNASIPIABKEV-VHSXEESVSA-N 0 0 199.294 1.670 10 0 ADAERN CC[C@@H](C)C(=O)N1CC[C@H]1COC 647160398 375627916 /nfs/dbraw/zinc/62/79/16/375627916.db2.gz MXYMLIQYRFHXDY-BDAKNGLRSA-N 0 0 185.267 1.280 10 0 ADAERN CCC[C@@H](C)C(=O)N1CC[C@H]1COC 647160701 375627940 /nfs/dbraw/zinc/62/79/40/375627940.db2.gz LGPTYOLPWHHWAU-ZJUUUORDSA-N 0 0 199.294 1.670 10 0 ADAERN COC[C@@H]1CCN1C(=O)CC1(C)CC1 647160837 375627987 /nfs/dbraw/zinc/62/79/87/375627987.db2.gz JCLDONKLQBWJCJ-VIFPVBQESA-N 0 0 197.278 1.424 10 0 ADAERN CCCCC(=O)N1CC[C@@H]1COC 647160588 375627994 /nfs/dbraw/zinc/62/79/94/375627994.db2.gz XTWZMEJYGCZLSS-SECBINFHSA-N 0 0 185.267 1.424 10 0 ADAERN CCC(CC)C(=O)N1CC[C@@H]1COC 647160446 375628010 /nfs/dbraw/zinc/62/80/10/375628010.db2.gz XTIAJYBLPIUQHP-SNVBAGLBSA-N 0 0 199.294 1.670 10 0 ADAERN CC[C@@H](C)CC(=O)N1CC[C@H]1COC 647160361 375628028 /nfs/dbraw/zinc/62/80/28/375628028.db2.gz ZOYNASIPIABKEV-ZJUUUORDSA-N 0 0 199.294 1.670 10 0 ADAERN CCC[C@H](C)C(=O)N1CC[C@H]1COC 647160699 375628047 /nfs/dbraw/zinc/62/80/47/375628047.db2.gz LGPTYOLPWHHWAU-UWVGGRQHSA-N 0 0 199.294 1.670 10 0 ADAERN COC[C@H]1CCN1C(=O)CC1(C)CC1 647160836 375628072 /nfs/dbraw/zinc/62/80/72/375628072.db2.gz JCLDONKLQBWJCJ-SECBINFHSA-N 0 0 197.278 1.424 10 0 ADAERN OCCCOc1cccc2c1CCC2 647162094 375628078 /nfs/dbraw/zinc/62/80/78/375628078.db2.gz KHEWECAJVTUYJR-UHFFFAOYSA-N 0 0 192.258 1.937 10 0 ADAERN CCC[C@H](C)C(=O)N1CC[C@@H]1COC 647160700 375628085 /nfs/dbraw/zinc/62/80/85/375628085.db2.gz LGPTYOLPWHHWAU-VHSXEESVSA-N 0 0 199.294 1.670 10 0 ADAERN COC[C@H]1CCN1C(=O)CC(C)C 647160728 375628117 /nfs/dbraw/zinc/62/81/17/375628117.db2.gz WBMRZZOHDNWTQR-SECBINFHSA-N 0 0 185.267 1.280 10 0 ADAERN COC[C@@H]1CCN1C(=O)CC1CC1 647160444 375628142 /nfs/dbraw/zinc/62/81/42/375628142.db2.gz XANBLLVMUVSHNW-VIFPVBQESA-N 0 0 183.251 1.034 10 0 ADAERN CCCC(=O)N1CC[C@@H]1COC 647160842 375628212 /nfs/dbraw/zinc/62/82/12/375628212.db2.gz KVZZRKYQXAUBSS-MRVPVSSYSA-N 0 0 171.240 1.034 10 0 ADAERN CC[C@@H](C)C(=O)N1CC[C@@H]1COC 647160401 375628260 /nfs/dbraw/zinc/62/82/60/375628260.db2.gz MXYMLIQYRFHXDY-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN COC[C@@H]1CCN1C(=O)CC(C)C 647160729 375628328 /nfs/dbraw/zinc/62/83/28/375628328.db2.gz WBMRZZOHDNWTQR-VIFPVBQESA-N 0 0 185.267 1.280 10 0 ADAERN COC[C@H]1CCN1C(=O)CC1CC1 647160443 375628356 /nfs/dbraw/zinc/62/83/56/375628356.db2.gz XANBLLVMUVSHNW-SECBINFHSA-N 0 0 183.251 1.034 10 0 ADAERN CCC[C@@H](C)C(=O)N1CC[C@@H]1COC 647160698 375628429 /nfs/dbraw/zinc/62/84/29/375628429.db2.gz LGPTYOLPWHHWAU-NXEZZACHSA-N 0 0 199.294 1.670 10 0 ADAERN CCCCC(=O)N1CC[C@H]1COC 647160589 375628414 /nfs/dbraw/zinc/62/84/14/375628414.db2.gz XTWZMEJYGCZLSS-VIFPVBQESA-N 0 0 185.267 1.424 10 0 ADAERN CCC(CC)C(=O)N1CC[C@H]1COC 647160445 375628455 /nfs/dbraw/zinc/62/84/55/375628455.db2.gz XTIAJYBLPIUQHP-JTQLQIEISA-N 0 0 199.294 1.670 10 0 ADAERN COc1ncncc1CN1CCCC1 647169635 375629383 /nfs/dbraw/zinc/62/93/83/375629383.db2.gz VDQCNSBBVLECMP-UHFFFAOYSA-N 0 0 193.250 1.081 10 0 ADAERN C[C@@H]1C[C@H](NC2(C(F)F)CC2)CO1 647209206 375630148 /nfs/dbraw/zinc/63/01/48/375630148.db2.gz XVNJJNFCOUIJPK-RQJHMYQMSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@H]1C[C@H](NC2(C(F)F)CC2)CO1 647209203 375630275 /nfs/dbraw/zinc/63/02/75/375630275.db2.gz XVNJJNFCOUIJPK-BQBZGAKWSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@@H]1C[C@@H](NC2(C(F)F)CC2)CO1 647209205 375630379 /nfs/dbraw/zinc/63/03/79/375630379.db2.gz XVNJJNFCOUIJPK-RNFRBKRXSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@H]1C[C@@H](NC2(C(F)F)CC2)CO1 647209204 375630629 /nfs/dbraw/zinc/63/06/29/375630629.db2.gz XVNJJNFCOUIJPK-NKWVEPMBSA-N 0 0 191.221 1.551 10 0 ADAERN C[C@H]1C[C@@H](N[C@H](C)C(F)(F)F)CO1 647219216 375631131 /nfs/dbraw/zinc/63/11/31/375631131.db2.gz MCSRUSAIAMYWAO-RRKCRQDMSA-N 0 0 197.200 1.704 10 0 ADAERN COCC(=O)NC1CC(C(C)(C)C)C1 647236706 375632818 /nfs/dbraw/zinc/63/28/18/375632818.db2.gz JRRYTPCPKGUTLN-UHFFFAOYSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@@H](F)CCNC(=O)C1=CCCC1 647267345 375633463 /nfs/dbraw/zinc/63/34/63/375633463.db2.gz GPSBZZGAGWRQEN-MRVPVSSYSA-N 0 0 185.242 1.961 10 0 ADAERN C[C@@H](F)CCNC(=O)C(C)(C)C 647267328 375633783 /nfs/dbraw/zinc/63/37/83/375633783.db2.gz AYKWVACTLHEQRR-SSDOTTSWSA-N 0 0 175.247 1.897 10 0 ADAERN C[C@H](F)CCNC(=O)C1=CCCC1 647267346 375633855 /nfs/dbraw/zinc/63/38/55/375633855.db2.gz GPSBZZGAGWRQEN-QMMMGPOBSA-N 0 0 185.242 1.961 10 0 ADAERN C[C@H](F)CCNC(=O)C(C)(C)C 647267329 375634098 /nfs/dbraw/zinc/63/40/98/375634098.db2.gz AYKWVACTLHEQRR-ZETCQYMHSA-N 0 0 175.247 1.897 10 0 ADAERN C[C@H](F)CCNC(=O)C1CCC1 647267327 375634124 /nfs/dbraw/zinc/63/41/24/375634124.db2.gz AGUDSIIXVCWJRL-ZETCQYMHSA-N 0 0 173.231 1.651 10 0 ADAERN COC(C)(C)C(=O)NCC(C)(F)F 647260257 375634134 /nfs/dbraw/zinc/63/41/34/375634134.db2.gz GINJYDVTVVZITK-UHFFFAOYSA-N 0 0 195.209 1.183 10 0 ADAERN C[C@@H](F)CCNC(=O)C1CCC1 647267326 375634247 /nfs/dbraw/zinc/63/42/47/375634247.db2.gz AGUDSIIXVCWJRL-SSDOTTSWSA-N 0 0 173.231 1.651 10 0 ADAERN CC(C)C(=O)NCC[C@@H](C)F 647267729 375634898 /nfs/dbraw/zinc/63/48/98/375634898.db2.gz QBTLWOACHFZIJG-SSDOTTSWSA-N 0 0 161.220 1.507 10 0 ADAERN CCO[C@H](C)C(=O)NCC[C@@H](C)F 647267701 375634944 /nfs/dbraw/zinc/63/49/44/375634944.db2.gz HXDWQISCWONZMD-HTQZYQBOSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@H](F)CCNC(=O)c1cocn1 647267783 375635002 /nfs/dbraw/zinc/63/50/02/375635002.db2.gz LTQXRXOZLFWQNF-LURJTMIESA-N 0 0 186.186 1.153 10 0 ADAERN Cc1ncc(C(=O)NCC[C@@H](C)F)[nH]1 647267792 375635008 /nfs/dbraw/zinc/63/50/08/375635008.db2.gz PFLPBYJNSOGZMR-ZCFIWIBFSA-N 0 0 199.229 1.196 10 0 ADAERN C[C@H](F)CCNC(=O)C1(C)CC1 647268279 375635034 /nfs/dbraw/zinc/63/50/34/375635034.db2.gz FWFSOOVSNHYDEJ-ZETCQYMHSA-N 0 0 173.231 1.651 10 0 ADAERN CCO[C@H](C)C(=O)NCC[C@H](C)F 647267702 375635060 /nfs/dbraw/zinc/63/50/60/375635060.db2.gz HXDWQISCWONZMD-JGVFFNPUSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@@H](F)CCNC(=O)[C@@H]1CCCO1 647268294 375635067 /nfs/dbraw/zinc/63/50/67/375635067.db2.gz IPXKWLPBQDNBQB-SFYZADRCSA-N 0 0 189.230 1.030 10 0 ADAERN C[C@@H](F)CCNC(=O)c1cc[nH]c1 647267745 375635081 /nfs/dbraw/zinc/63/50/81/375635081.db2.gz XYELOTWJIHDWSL-SSDOTTSWSA-N 0 0 184.214 1.493 10 0 ADAERN C[C@@H](F)CCNC(=O)c1ccc[nH]1 647267385 375635087 /nfs/dbraw/zinc/63/50/87/375635087.db2.gz NZDHYASGOBZUKR-SSDOTTSWSA-N 0 0 184.214 1.493 10 0 ADAERN C[C@H](F)CCNC(=O)[C@H]1C[C@H]1C1CC1 647267364 375635116 /nfs/dbraw/zinc/63/51/16/375635116.db2.gz JOARMHYZPCRZOG-HGNGGELXSA-N 0 0 199.269 1.897 10 0 ADAERN C[C@@H](F)CCNC(=O)C1CC1 647267806 375635122 /nfs/dbraw/zinc/63/51/22/375635122.db2.gz SEZKGZAGDVSAFV-ZCFIWIBFSA-N 0 0 159.204 1.261 10 0 ADAERN C[C@H](F)CCNC(=O)c1ccccn1 647267692 375635127 /nfs/dbraw/zinc/63/51/27/375635127.db2.gz FZPHKEVYTHHMFE-QMMMGPOBSA-N 0 0 196.225 1.560 10 0 ADAERN C[C@H](F)CCNC(=O)[C@@H]1C[C@@H]1C1CC1 647267363 375635145 /nfs/dbraw/zinc/63/51/45/375635145.db2.gz JOARMHYZPCRZOG-FXBDTBDDSA-N 0 0 199.269 1.897 10 0 ADAERN CC(C)C(=O)NCC[C@H](C)F 647267730 375635149 /nfs/dbraw/zinc/63/51/49/375635149.db2.gz QBTLWOACHFZIJG-ZETCQYMHSA-N 0 0 161.220 1.507 10 0 ADAERN Cc1cc(C(=O)NCC[C@H](C)F)[nH]n1 647268276 375635153 /nfs/dbraw/zinc/63/51/53/375635153.db2.gz DLZJYRRWCRGDMO-LURJTMIESA-N 0 0 199.229 1.196 10 0 ADAERN C[C@@H](F)CCNC(=O)c1cccnc1 647267781 375635159 /nfs/dbraw/zinc/63/51/59/375635159.db2.gz LOMRXHQCFHEDKF-MRVPVSSYSA-N 0 0 196.225 1.560 10 0 ADAERN C[C@@H](F)CCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 647267696 375635171 /nfs/dbraw/zinc/63/51/71/375635171.db2.gz GUNFXIOYPJFQLZ-IMSYWVGJSA-N 0 0 199.269 1.897 10 0 ADAERN Cc1ncc(C(=O)NCC[C@H](C)F)[nH]1 647267791 375635185 /nfs/dbraw/zinc/63/51/85/375635185.db2.gz PFLPBYJNSOGZMR-LURJTMIESA-N 0 0 199.229 1.196 10 0 ADAERN CCCOCC(=O)NCC[C@@H](C)F 647267759 375635209 /nfs/dbraw/zinc/63/52/09/375635209.db2.gz FTYDUJNAKRFXBE-MRVPVSSYSA-N 0 0 191.246 1.277 10 0 ADAERN C[C@H](F)CCNC(=O)c1ccc[nH]1 647267386 375635232 /nfs/dbraw/zinc/63/52/32/375635232.db2.gz NZDHYASGOBZUKR-ZETCQYMHSA-N 0 0 184.214 1.493 10 0 ADAERN C[C@@H](F)CCNC(=O)c1cocn1 647267784 375635235 /nfs/dbraw/zinc/63/52/35/375635235.db2.gz LTQXRXOZLFWQNF-ZCFIWIBFSA-N 0 0 186.186 1.153 10 0 ADAERN C[C@H](F)CCNC(=O)[C@H]1C[C@@H]1C1CC1 647267365 375635261 /nfs/dbraw/zinc/63/52/61/375635261.db2.gz JOARMHYZPCRZOG-SFGNSQDASA-N 0 0 199.269 1.897 10 0 ADAERN C[C@H](F)CCNC(=O)[C@@H]1C[C@H]1C1CC1 647267366 375635289 /nfs/dbraw/zinc/63/52/89/375635289.db2.gz JOARMHYZPCRZOG-UJNFCWOMSA-N 0 0 199.269 1.897 10 0 ADAERN CCO[C@@H](C)C(=O)NCC[C@H](C)F 647267704 375635298 /nfs/dbraw/zinc/63/52/98/375635298.db2.gz HXDWQISCWONZMD-YUMQZZPRSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@H](F)CCNC(=O)c1cccnc1 647267782 375635309 /nfs/dbraw/zinc/63/53/09/375635309.db2.gz LOMRXHQCFHEDKF-QMMMGPOBSA-N 0 0 196.225 1.560 10 0 ADAERN C[C@H](F)CCNC(=O)[C@@H]1CCCO1 647268295 375635313 /nfs/dbraw/zinc/63/53/13/375635313.db2.gz IPXKWLPBQDNBQB-YUMQZZPRSA-N 0 0 189.230 1.030 10 0 ADAERN Cc1[nH]ccc1C(=O)NCC[C@@H](C)F 647267809 375635324 /nfs/dbraw/zinc/63/53/24/375635324.db2.gz SZVLXLJLRMGURA-SSDOTTSWSA-N 0 0 198.241 1.801 10 0 ADAERN Cc1cc(C(=O)NCC[C@@H](C)F)[nH]n1 647268277 375635334 /nfs/dbraw/zinc/63/53/34/375635334.db2.gz DLZJYRRWCRGDMO-ZCFIWIBFSA-N 0 0 199.229 1.196 10 0 ADAERN C[C@@H](F)CCNC(=O)c1cnco1 647268275 375635338 /nfs/dbraw/zinc/63/53/38/375635338.db2.gz BSUFZXJDGMUOIW-ZCFIWIBFSA-N 0 0 186.186 1.153 10 0 ADAERN C[C@@H](F)CCNC(=O)C1(C)CC1 647268278 375635340 /nfs/dbraw/zinc/63/53/40/375635340.db2.gz FWFSOOVSNHYDEJ-SSDOTTSWSA-N 0 0 173.231 1.651 10 0 ADAERN C[C@H](F)CCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 647267693 375635346 /nfs/dbraw/zinc/63/53/46/375635346.db2.gz GUNFXIOYPJFQLZ-AXTSPUMRSA-N 0 0 199.269 1.897 10 0 ADAERN CCCOCC(=O)NCC[C@H](C)F 647267760 375635348 /nfs/dbraw/zinc/63/53/48/375635348.db2.gz FTYDUJNAKRFXBE-QMMMGPOBSA-N 0 0 191.246 1.277 10 0 ADAERN CCO[C@@H](C)C(=O)NCC[C@@H](C)F 647267703 375635351 /nfs/dbraw/zinc/63/53/51/375635351.db2.gz HXDWQISCWONZMD-SFYZADRCSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@H](F)CCNC(=O)c1cc[nH]c1 647267746 375635376 /nfs/dbraw/zinc/63/53/76/375635376.db2.gz XYELOTWJIHDWSL-ZETCQYMHSA-N 0 0 184.214 1.493 10 0 ADAERN C[C@H](F)CCNC(=O)C1CC1 647267805 375635388 /nfs/dbraw/zinc/63/53/88/375635388.db2.gz SEZKGZAGDVSAFV-LURJTMIESA-N 0 0 159.204 1.261 10 0 ADAERN C[C@@H](F)CCNC(=O)c1ccccn1 647267691 375635395 /nfs/dbraw/zinc/63/53/95/375635395.db2.gz FZPHKEVYTHHMFE-MRVPVSSYSA-N 0 0 196.225 1.560 10 0 ADAERN Cc1[nH]ccc1C(=O)NCC[C@H](C)F 647267810 375635400 /nfs/dbraw/zinc/63/54/00/375635400.db2.gz SZVLXLJLRMGURA-ZETCQYMHSA-N 0 0 198.241 1.801 10 0 ADAERN C[C@H](F)CCNC(=O)CC1CC1 647270520 375635748 /nfs/dbraw/zinc/63/57/48/375635748.db2.gz MSOQIQFEAFAOOS-ZETCQYMHSA-N 0 0 173.231 1.651 10 0 ADAERN CC(C)CC(=O)NCC[C@@H](C)F 647271611 375635756 /nfs/dbraw/zinc/63/57/56/375635756.db2.gz MRSKHEAYEQFOLV-MRVPVSSYSA-N 0 0 175.247 1.897 10 0 ADAERN C[C@@H](F)CCNC(=O)CCC(F)F 647270512 375635781 /nfs/dbraw/zinc/63/57/81/375635781.db2.gz ISHAZQZUDQNEQL-ZCFIWIBFSA-N 0 0 197.200 1.896 10 0 ADAERN C[C@H](F)CCNC(=O)[C@H]1CC1(C)C 647271073 375635857 /nfs/dbraw/zinc/63/58/57/375635857.db2.gz KRAUEAVDMDKULG-JGVFFNPUSA-N 0 0 187.258 1.897 10 0 ADAERN C[C@@H](F)CCNC(=O)C1CC=CC1 647270485 375635864 /nfs/dbraw/zinc/63/58/64/375635864.db2.gz AFHFWODUZFQJAI-MRVPVSSYSA-N 0 0 185.242 1.817 10 0 ADAERN C[C@H](F)CCNC(=O)c1ccco1 647271365 375635870 /nfs/dbraw/zinc/63/58/70/375635870.db2.gz OEKYMYJADAAFKY-ZETCQYMHSA-N 0 0 185.198 1.758 10 0 ADAERN CC[C@@H](OC)C(=O)NCC[C@H](C)F 647270530 375635899 /nfs/dbraw/zinc/63/58/99/375635899.db2.gz QLMHSDUZHJEUMG-JGVFFNPUSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@H](C(=O)NCC[C@@H](C)F)C1CC1 647270377 375635903 /nfs/dbraw/zinc/63/59/03/375635903.db2.gz FPSOCWISWQKOJG-SFYZADRCSA-N 0 0 187.258 1.897 10 0 ADAERN CC[C@H](C)C(=O)NCC[C@@H](C)F 647271087 375635944 /nfs/dbraw/zinc/63/59/44/375635944.db2.gz MWKBQSPAFMMYRC-JGVFFNPUSA-N 0 0 175.247 1.897 10 0 ADAERN C[C@H](F)CCNC(=O)C1CC=CC1 647270486 375635959 /nfs/dbraw/zinc/63/59/59/375635959.db2.gz AFHFWODUZFQJAI-QMMMGPOBSA-N 0 0 185.242 1.817 10 0 ADAERN C[C@H](F)CCNC(=O)[C@H]1CCCO1 647271345 375635981 /nfs/dbraw/zinc/63/59/81/375635981.db2.gz IPXKWLPBQDNBQB-JGVFFNPUSA-N 0 0 189.230 1.030 10 0 ADAERN CC[C@H](C)C(=O)NCC[C@H](C)F 647271089 375635998 /nfs/dbraw/zinc/63/59/98/375635998.db2.gz MWKBQSPAFMMYRC-YUMQZZPRSA-N 0 0 175.247 1.897 10 0 ADAERN CCOCCC(=O)NCC[C@H](C)F 647268579 375636023 /nfs/dbraw/zinc/63/60/23/375636023.db2.gz PGVBNRVTOZSIRT-QMMMGPOBSA-N 0 0 191.246 1.277 10 0 ADAERN CC[C@H](OC)C(=O)NCC[C@@H](C)F 647270531 375636058 /nfs/dbraw/zinc/63/60/58/375636058.db2.gz QLMHSDUZHJEUMG-SFYZADRCSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)NCC[C@@H](C)F 647268597 375636069 /nfs/dbraw/zinc/63/60/69/375636069.db2.gz XGTIGCOEJPMTES-RNJXMRFFSA-N 0 0 173.231 1.507 10 0 ADAERN C[C@H](F)CCNC(=O)[C@@H]1C[C@H]1C 647271105 375636094 /nfs/dbraw/zinc/63/60/94/375636094.db2.gz XGTIGCOEJPMTES-GJMOJQLCSA-N 0 0 173.231 1.507 10 0 ADAERN COC(C)(C)C(=O)NCC[C@@H](C)F 647270495 375636109 /nfs/dbraw/zinc/63/61/09/375636109.db2.gz DXSHDTICTPEXOI-SSDOTTSWSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@@H](F)CCNC(=O)[C@H]1CC1(C)C 647271072 375636117 /nfs/dbraw/zinc/63/61/17/375636117.db2.gz KRAUEAVDMDKULG-HTQZYQBOSA-N 0 0 187.258 1.897 10 0 ADAERN C[C@H](F)CCNC(=O)c1ccn(C)c1 647271347 375636134 /nfs/dbraw/zinc/63/61/34/375636134.db2.gz JAUMBFFYKJZXHM-QMMMGPOBSA-N 0 0 198.241 1.503 10 0 ADAERN C[C@@H](F)CCNC(=O)Cc1ccco1 647271392 375636153 /nfs/dbraw/zinc/63/61/53/375636153.db2.gz YWTZIPXOXQWPRE-MRVPVSSYSA-N 0 0 199.225 1.686 10 0 ADAERN C[C@@H](F)CCNC(=O)c1ccco1 647271364 375636169 /nfs/dbraw/zinc/63/61/69/375636169.db2.gz OEKYMYJADAAFKY-SSDOTTSWSA-N 0 0 185.198 1.758 10 0 ADAERN CC(C)CC(=O)NCC[C@H](C)F 647271612 375636195 /nfs/dbraw/zinc/63/61/95/375636195.db2.gz MRSKHEAYEQFOLV-QMMMGPOBSA-N 0 0 175.247 1.897 10 0 ADAERN CC[C@@H](OC)C(=O)NCC[C@@H](C)F 647270529 375636210 /nfs/dbraw/zinc/63/62/10/375636210.db2.gz QLMHSDUZHJEUMG-HTQZYQBOSA-N 0 0 191.246 1.276 10 0 ADAERN C[C@@H](F)CCNC(=O)CC1CC1 647270519 375636226 /nfs/dbraw/zinc/63/62/26/375636226.db2.gz MSOQIQFEAFAOOS-SSDOTTSWSA-N 0 0 173.231 1.651 10 0 ADAERN C[C@@H](F)CCNC(=O)[C@@H]1C[C@H]1C 647271104 375636234 /nfs/dbraw/zinc/63/62/34/375636234.db2.gz XGTIGCOEJPMTES-BWZBUEFSSA-N 0 0 173.231 1.507 10 0 ADAERN COC(C)(C)C(=O)NCC[C@H](C)F 647270496 375636242 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/nfs/dbraw/zinc/41/99/60/409419960.db2.gz AOFMSOJXGPGOBG-UHFFFAOYSA-N 0 0 193.250 1.616 10 0 ADAERN CC(C)[C@@H]1C[C@H]1NC(=O)N[C@@H]1C[C@H]1C 655906981 409419972 /nfs/dbraw/zinc/41/99/72/409419972.db2.gz ZIYIKJJIGFOCOZ-UTINFBMNSA-N 0 0 196.294 1.739 10 0 ADAERN CCCC(=O)N[C@@H](C)C(C)C 70225383 409420513 /nfs/dbraw/zinc/42/05/13/409420513.db2.gz OGUJDQLBVHBUNM-QMMMGPOBSA-N 0 0 157.257 1.947 10 0 ADAERN CCC[C@H](C)C[NH2+]C[C@H](C)C(=O)[O-] 656095530 409420131 /nfs/dbraw/zinc/42/01/31/409420131.db2.gz NTLPHKROHMOPDQ-IUCAKERBSA-N 0 0 187.283 1.733 10 0 ADAERN CCC[C@@H](C)C[NH2+]C[C@H](C)C(=O)[O-] 656095528 409420215 /nfs/dbraw/zinc/42/02/15/409420215.db2.gz NTLPHKROHMOPDQ-BDAKNGLRSA-N 0 0 187.283 1.733 10 0 ADAERN CCC[C@H](C)C[NH2+]C[C@@H](C)C(=O)[O-] 656095529 409420405 /nfs/dbraw/zinc/42/04/05/409420405.db2.gz NTLPHKROHMOPDQ-DTWKUNHWSA-N 0 0 187.283 1.733 10 0 ADAERN CCCC(=O)N[C@@H](C)[C@H]1CCCO1 70225241 409420498 /nfs/dbraw/zinc/42/04/98/409420498.db2.gz GOQMITUOAVSSHJ-DTWKUNHWSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@@H](F)CCNC(=O)N(C)C1CC1 656006312 409420524 /nfs/dbraw/zinc/42/05/24/409420524.db2.gz NOAGZKJGYSPJKC-SSDOTTSWSA-N 0 0 188.246 1.538 10 0 ADAERN C[C@H](F)CCNC(=O)NC(C)(C)C 656006481 409420529 /nfs/dbraw/zinc/42/05/29/409420529.db2.gz XPZUKEZALMKFTP-ZETCQYMHSA-N 0 0 190.262 1.832 10 0 ADAERN C[C@H]1[C@H](C)CN1C(=O)N[C@H]1CC[C@H]1C 655923315 409420599 /nfs/dbraw/zinc/42/05/99/409420599.db2.gz IEIDNJMTCQIQSX-IMSYWVGJSA-N 0 0 196.294 1.835 10 0 ADAERN C[C@@H](F)CCNC(=O)NC(C)(C)C 656006480 409420617 /nfs/dbraw/zinc/42/06/17/409420617.db2.gz XPZUKEZALMKFTP-SSDOTTSWSA-N 0 0 190.262 1.832 10 0 ADAERN C[C@@H]1CC[C@@H]1NC(=O)N1C[C@@H](C)[C@H]1C 655923317 409420688 /nfs/dbraw/zinc/42/06/88/409420688.db2.gz IEIDNJMTCQIQSX-KYXWUPHJSA-N 0 0 196.294 1.835 10 0 ADAERN C[C@H]1CN(C(=O)N[C@H]2CC[C@H]2C)[C@@H]1C 655923318 409420696 /nfs/dbraw/zinc/42/06/96/409420696.db2.gz IEIDNJMTCQIQSX-RGOKHQFPSA-N 0 0 196.294 1.835 10 0 ADAERN CC[C@@H]1C[C@H]1CNC(=O)N1CC[C@H]1C 656165851 409422133 /nfs/dbraw/zinc/42/21/33/409422133.db2.gz HVXMPLRHAFVQAQ-BBBLOLIVSA-N 0 0 196.294 1.836 10 0 ADAERN CCOCC(=O)N[C@@H](C)C(C)C 70225335 409420852 /nfs/dbraw/zinc/42/08/52/409420852.db2.gz IJCPLPMTCDOWKE-QMMMGPOBSA-N 0 0 173.256 1.184 10 0 ADAERN CCOCC(=O)N[C@H](C)C(C)C 70225336 409420907 /nfs/dbraw/zinc/42/09/07/409420907.db2.gz IJCPLPMTCDOWKE-MRVPVSSYSA-N 0 0 173.256 1.184 10 0 ADAERN COc1c(C)ncnc1N1CCCC1 656104057 409421024 /nfs/dbraw/zinc/42/10/24/409421024.db2.gz YIKOEWJFTHAIMW-UHFFFAOYSA-N 0 0 193.250 1.394 10 0 ADAERN C[C@H]1CN(C(=O)N[C@H]2CC[C@H]2C)[C@H]1C 655923316 409421110 /nfs/dbraw/zinc/42/11/10/409421110.db2.gz IEIDNJMTCQIQSX-KATARQTJSA-N 0 0 196.294 1.835 10 0 ADAERN CCCC(=O)N[C@H](C)[C@H]1CCCO1 70225242 409421260 /nfs/dbraw/zinc/42/12/60/409421260.db2.gz GOQMITUOAVSSHJ-RKDXNWHRSA-N 0 0 185.267 1.470 10 0 ADAERN CCCC(=O)N[C@H](C)C(C)C 70225384 409421487 /nfs/dbraw/zinc/42/14/87/409421487.db2.gz OGUJDQLBVHBUNM-MRVPVSSYSA-N 0 0 157.257 1.947 10 0 ADAERN CCCC(=O)N[C@@H](C)[C@@H]1CCCO1 70225239 409421521 /nfs/dbraw/zinc/42/15/21/409421521.db2.gz GOQMITUOAVSSHJ-IUCAKERBSA-N 0 0 185.267 1.470 10 0 ADAERN CCCC(=O)N[C@H](C)[C@@H]1CCCO1 70225240 409421601 /nfs/dbraw/zinc/42/16/01/409421601.db2.gz GOQMITUOAVSSHJ-BDAKNGLRSA-N 0 0 185.267 1.470 10 0 ADAERN CCOCC(=O)NCC1CCCCC1 70223022 409421790 /nfs/dbraw/zinc/42/17/90/409421790.db2.gz VXXNEXPPTDGMCX-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CCCN(C)c1ncnc(C)c1OC 656112737 409422383 /nfs/dbraw/zinc/42/23/83/409422383.db2.gz KIZYDXWOYYIQQL-UHFFFAOYSA-N 0 0 195.266 1.640 10 0 ADAERN CCCC(=O)NCC[C@H]1CCCO1 70225721 409422798 /nfs/dbraw/zinc/42/27/98/409422798.db2.gz ZIAJMPUPGYUYKU-SECBINFHSA-N 0 0 185.267 1.472 10 0 ADAERN COc1c(C)ncnc1NC1CCC1 656122969 409422423 /nfs/dbraw/zinc/42/24/23/409422423.db2.gz TWBPBOJPVNGACJ-UHFFFAOYSA-N 0 0 193.250 1.758 10 0 ADAERN CC[C@@H]1C[C@H]1CNC(=O)N1CC[C@@H]1C 656165850 409422568 /nfs/dbraw/zinc/42/25/68/409422568.db2.gz HVXMPLRHAFVQAQ-AEJSXWLSSA-N 0 0 196.294 1.836 10 0 ADAERN COc1c(C)ncnc1NCCF 656183310 409422680 /nfs/dbraw/zinc/42/26/80/409422680.db2.gz TXYPAVOMLGPZEK-UHFFFAOYSA-N 0 0 185.202 1.175 10 0 ADAERN Cc1nc(CNc2ccn(C)n2)co1 656116420 409422771 /nfs/dbraw/zinc/42/27/71/409422771.db2.gz NIBQMDHNBPRRJO-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN CC(C)(C)C(=O)NCC[C@@H]1CCCO1 70225728 409422773 /nfs/dbraw/zinc/42/27/73/409422773.db2.gz YNUDPACSIVDQAD-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CC(C)C(=O)NCC[C@@H]1CCCO1 70225726 409422876 /nfs/dbraw/zinc/42/28/76/409422876.db2.gz FBNZOFLLBVHDLK-VIFPVBQESA-N 0 0 185.267 1.328 10 0 ADAERN O=C(NCC[C@@H]1CCCO1)C1CC1 70225723 409423000 /nfs/dbraw/zinc/42/30/00/409423000.db2.gz YKQXWBAMUIXIMI-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN CCN(CCOC)C(=O)c1ccco1 70225960 409423031 /nfs/dbraw/zinc/42/30/31/409423031.db2.gz ATXURGOPUODCRD-UHFFFAOYSA-N 0 0 197.234 1.388 10 0 ADAERN CCOCC(=O)NCCC1CCCC1 70225766 409423218 /nfs/dbraw/zinc/42/32/18/409423218.db2.gz TWZHVRFJXKRZBK-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN O=C(NCC[C@H]1CCCO1)C1CC1 70225722 409423231 /nfs/dbraw/zinc/42/32/31/409423231.db2.gz YKQXWBAMUIXIMI-SECBINFHSA-N 0 0 183.251 1.082 10 0 ADAERN CCCC(=O)NCC[C@@H]1CCCO1 70225720 409423356 /nfs/dbraw/zinc/42/33/56/409423356.db2.gz ZIAJMPUPGYUYKU-VIFPVBQESA-N 0 0 185.267 1.472 10 0 ADAERN CCC(=O)NCCCC(C)C 70225910 409423394 /nfs/dbraw/zinc/42/33/94/409423394.db2.gz DMGCKPJDWVLWCJ-UHFFFAOYSA-N 0 0 157.257 1.949 10 0 ADAERN CC(C)C(=O)NCC[C@H]1CCCO1 70225727 409423496 /nfs/dbraw/zinc/42/34/96/409423496.db2.gz FBNZOFLLBVHDLK-SECBINFHSA-N 0 0 185.267 1.328 10 0 ADAERN CC(C)(C)C(=O)NCC[C@H]1CCCO1 70225729 409423531 /nfs/dbraw/zinc/42/35/31/409423531.db2.gz YNUDPACSIVDQAD-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CCC1CCC(NC(=O)COC)CC1 70225815 409423657 /nfs/dbraw/zinc/42/36/57/409423657.db2.gz NXLFOXPUBBBQAL-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN FC1(F)CC12CN(c1ncccn1)C2 656204255 409425263 /nfs/dbraw/zinc/42/52/63/409425263.db2.gz IVUMCDKSVDZLAA-UHFFFAOYSA-N 0 0 197.188 1.322 10 0 ADAERN CCC[C@H](C)N(C)S(C)(=O)=O 70226668 409425917 /nfs/dbraw/zinc/42/59/17/409425917.db2.gz DBTPIGXRBUPMLO-ZETCQYMHSA-N 0 0 179.285 1.066 10 0 ADAERN CCC(=O)NCC[C@@H]1CCCO1 70226362 409425959 /nfs/dbraw/zinc/42/59/59/409425959.db2.gz XAIJMIDOFOTAMS-QMMMGPOBSA-N 0 0 171.240 1.082 10 0 ADAERN CCC(=O)NCC[C@H]1CCCO1 70226363 409426000 /nfs/dbraw/zinc/42/60/00/409426000.db2.gz XAIJMIDOFOTAMS-MRVPVSSYSA-N 0 0 171.240 1.082 10 0 ADAERN CCC[C@@H](C)N(C)S(C)(=O)=O 70226667 409426091 /nfs/dbraw/zinc/42/60/91/409426091.db2.gz DBTPIGXRBUPMLO-SSDOTTSWSA-N 0 0 179.285 1.066 10 0 ADAERN COCC1(CNc2ccccn2)CC1 656214087 409426157 /nfs/dbraw/zinc/42/61/57/409426157.db2.gz NJGDUVHGBDDFFB-UHFFFAOYSA-N 0 0 192.262 1.920 10 0 ADAERN Cc1csc(-c2ccnn2C)n1 656371774 409426176 /nfs/dbraw/zinc/42/61/76/409426176.db2.gz TUWKQTREXZGSJL-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN C[C@@H](O)CN(Cc1cocn1)C1CC1 656280316 409426261 /nfs/dbraw/zinc/42/62/61/409426261.db2.gz ZHGZJNHCRPALFY-MRVPVSSYSA-N 0 0 196.250 1.020 10 0 ADAERN COCC1(CNc2cccnn2)CC1 656213654 409426694 /nfs/dbraw/zinc/42/66/94/409426694.db2.gz VEWXYFAEXNTXAC-UHFFFAOYSA-N 0 0 193.250 1.315 10 0 ADAERN COCC1(CNc2cnccn2)CC1 656214564 409427409 /nfs/dbraw/zinc/42/74/09/409427409.db2.gz YJDBJRKOFGRXOJ-UHFFFAOYSA-N 0 0 193.250 1.315 10 0 ADAERN Cc1noc(CN(C)CC2(F)CC2)n1 656279141 409427435 /nfs/dbraw/zinc/42/74/35/409427435.db2.gz RELLIVCGMOVDKN-UHFFFAOYSA-N 0 0 199.229 1.312 10 0 ADAERN FC1(F)CC12CN(Cc1cn[nH]c1)C2 656266214 409427567 /nfs/dbraw/zinc/42/75/67/409427567.db2.gz UKTTYVRKAQLJLM-UHFFFAOYSA-N 0 0 199.204 1.251 10 0 ADAERN C[C@H](O)CN(Cc1cocn1)C1CC1 656280317 409427580 /nfs/dbraw/zinc/42/75/80/409427580.db2.gz ZHGZJNHCRPALFY-QMMMGPOBSA-N 0 0 196.250 1.020 10 0 ADAERN Cc1ccc(-c2ncnn2C)s1 656371227 409427784 /nfs/dbraw/zinc/42/77/84/409427784.db2.gz AEVUWUMCVSMONN-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN FC1(F)CC12CN(Cc1cc[nH]n1)C2 656265940 409427836 /nfs/dbraw/zinc/42/78/36/409427836.db2.gz OVUBMHOSKRKODL-UHFFFAOYSA-N 0 0 199.204 1.251 10 0 ADAERN COCC1(CNc2ncccn2)CC1 656213043 409427924 /nfs/dbraw/zinc/42/79/24/409427924.db2.gz MCPMSYCXPWDGQV-UHFFFAOYSA-N 0 0 193.250 1.315 10 0 ADAERN FC1(CN2CC3(C2)CC3(F)F)CC1 656265289 409428015 /nfs/dbraw/zinc/42/80/15/409428015.db2.gz HEAMYUYKUCZYMP-UHFFFAOYSA-N 0 0 191.196 1.830 10 0 ADAERN c1cc(-c2nnc3n2CCOC3)co1 656400999 409428611 /nfs/dbraw/zinc/42/86/11/409428611.db2.gz JTKVXPDOZJPEQE-UHFFFAOYSA-N 0 0 191.190 1.068 10 0 ADAERN CC(C)Cc1nnc2n1CCOC2 656400971 409429309 /nfs/dbraw/zinc/42/93/09/409429309.db2.gz CTFQGIYDBVEVQJ-UHFFFAOYSA-N 0 0 181.239 1.007 10 0 ADAERN CC(C)n1cc(-c2nccs2)nn1 656440024 409429458 /nfs/dbraw/zinc/42/94/58/409429458.db2.gz IMLSEAFDIRGXQX-UHFFFAOYSA-N 0 0 194.263 1.983 10 0 ADAERN CC(C)CCc1nnc2n1CCOC2 656400977 409429660 /nfs/dbraw/zinc/42/96/60/409429660.db2.gz DSYYXEVQWOHLNH-UHFFFAOYSA-N 0 0 195.266 1.397 10 0 ADAERN CC(C)n1cc(CCC[C@@H](C)O)nn1 656440298 409430717 /nfs/dbraw/zinc/43/07/17/409430717.db2.gz QHBVGQKAJNSMCE-SECBINFHSA-N 0 0 197.282 1.563 10 0 ADAERN CCOCc1cn(CC(C)C)nn1 656442600 409430806 /nfs/dbraw/zinc/43/08/06/409430806.db2.gz AZPNLQDRKLFHCY-UHFFFAOYSA-N 0 0 183.255 1.471 10 0 ADAERN CC(C)n1cc(CCC[C@H](C)O)nn1 656440299 409430846 /nfs/dbraw/zinc/43/08/46/409430846.db2.gz QHBVGQKAJNSMCE-VIFPVBQESA-N 0 0 197.282 1.563 10 0 ADAERN c1cc(-n2cc(C3CC3)nn2)ccn1 656441088 409431570 /nfs/dbraw/zinc/43/15/70/409431570.db2.gz SHEGUFVWYJRTBF-UHFFFAOYSA-N 0 0 186.218 1.540 10 0 ADAERN CCOCc1cn(CCC(C)C)nn1 656442253 409431735 /nfs/dbraw/zinc/43/17/35/409431735.db2.gz HBJURTJUMRKNDV-UHFFFAOYSA-N 0 0 197.282 1.861 10 0 ADAERN CC(C)Cn1cc(C2(F)COC2)nn1 656443127 409432010 /nfs/dbraw/zinc/43/20/10/409432010.db2.gz SDUZLODOGWYRGC-UHFFFAOYSA-N 0 0 199.229 1.129 10 0 ADAERN CCOCc1cn(C2CC2)nn1 656455592 409432951 /nfs/dbraw/zinc/43/29/51/409432951.db2.gz GVECYESHAPEDDS-UHFFFAOYSA-N 0 0 167.212 1.150 10 0 ADAERN CCOCc1cn(C(C)(C)C)nn1 656454444 409433491 /nfs/dbraw/zinc/43/34/91/409433491.db2.gz BMDUECXCZYVBHX-UHFFFAOYSA-N 0 0 183.255 1.570 10 0 ADAERN c1csc(-c2cn(C3CC3)nn2)n1 656455536 409433504 /nfs/dbraw/zinc/43/35/04/409433504.db2.gz BCGGTBIZYTWJPH-UHFFFAOYSA-N 0 0 192.247 1.737 10 0 ADAERN CCOCc1cn(CC(C)(C)C)nn1 656454554 409433582 /nfs/dbraw/zinc/43/35/82/409433582.db2.gz YAFKRWMVSZIZIS-UHFFFAOYSA-N 0 0 197.282 1.861 10 0 ADAERN CCC(=O)c1cn(CC(C)(C)C)nn1 656454314 409433694 /nfs/dbraw/zinc/43/36/94/409433694.db2.gz QYKXJEGOVDLYJU-UHFFFAOYSA-N 0 0 195.266 1.917 10 0 ADAERN CC(C)(C)n1cc(C2(F)COC2)nn1 656454607 409433752 /nfs/dbraw/zinc/43/37/52/409433752.db2.gz FNLGAJXYGUOUOO-UHFFFAOYSA-N 0 0 199.229 1.228 10 0 ADAERN C[C@@H](O)CCCc1cn(C2CC2)nn1 656456029 409433896 /nfs/dbraw/zinc/43/38/96/409433896.db2.gz WIOYVFFZCAWKCC-MRVPVSSYSA-N 0 0 195.266 1.317 10 0 ADAERN CC(C)(C)Cn1cc(CCCO)nn1 656454612 409434013 /nfs/dbraw/zinc/43/40/13/409434013.db2.gz FYEAQJDZXDHKLO-UHFFFAOYSA-N 0 0 197.282 1.249 10 0 ADAERN C[C@H](O)CCCc1cn(C2CC2)nn1 656456030 409434207 /nfs/dbraw/zinc/43/42/07/409434207.db2.gz WIOYVFFZCAWKCC-QMMMGPOBSA-N 0 0 195.266 1.317 10 0 ADAERN CC(=O)c1cn(CC(C)(C)C)nn1 656454344 409434272 /nfs/dbraw/zinc/43/42/72/409434272.db2.gz SJQSJCFPHZABHO-UHFFFAOYSA-N 0 0 181.239 1.527 10 0 ADAERN CCOCc1cn(CC2CC2)nn1 656463686 409435062 /nfs/dbraw/zinc/43/50/62/409435062.db2.gz HEZDTGNAFYZGQG-UHFFFAOYSA-N 0 0 181.239 1.225 10 0 ADAERN CCOCc1cn(C2CCCC2)nn1 656462143 409435692 /nfs/dbraw/zinc/43/56/92/409435692.db2.gz BJYUHIVYDNCVHI-UHFFFAOYSA-N 0 0 195.266 1.930 10 0 ADAERN CCC(=O)c1cn(CCCCF)nn1 656457158 409435853 /nfs/dbraw/zinc/43/58/53/409435853.db2.gz HIOWRZQNKNBYDX-UHFFFAOYSA-N 0 0 199.229 1.621 10 0 ADAERN COC(C)(C)CCn1cnc(C)n1 656472167 409435941 /nfs/dbraw/zinc/43/59/41/409435941.db2.gz REFSBNRLIDIGPR-UHFFFAOYSA-N 0 0 183.255 1.402 10 0 ADAERN COC(C)(C)CCn1cc(C)nn1 656471751 409436119 /nfs/dbraw/zinc/43/61/19/409436119.db2.gz CEJMUJUVRQMDQH-UHFFFAOYSA-N 0 0 183.255 1.402 10 0 ADAERN C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 656494535 409436795 /nfs/dbraw/zinc/43/67/95/409436795.db2.gz ASGVZMLVALFRRB-HLTSFMKQSA-N 0 0 175.247 1.047 10 0 ADAERN C1=CC[N@H+](CCc2cn[nH]c2)CC1 656494723 409437242 /nfs/dbraw/zinc/43/72/42/409437242.db2.gz HGXSBMVTANODAT-UHFFFAOYSA-N 0 0 177.251 1.214 10 0 ADAERN Cn1ccnc1NC(=O)C1CCCC1 82278073 409437657 /nfs/dbraw/zinc/43/76/57/409437657.db2.gz XYJDLOMBBCQGRK-UHFFFAOYSA-N 0 0 193.250 1.549 10 0 ADAERN CC(C)C(=O)Nc1nccn1C 82275729 409437717 /nfs/dbraw/zinc/43/77/17/409437717.db2.gz NWHVFRMPOGJIBQ-UHFFFAOYSA-N 0 0 167.212 1.015 10 0 ADAERN C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 656494536 409438000 /nfs/dbraw/zinc/43/80/00/409438000.db2.gz ASGVZMLVALFRRB-IWSPIJDZSA-N 0 0 175.247 1.047 10 0 ADAERN Cn1ccnc1NC(=O)C(C)(C)C 82277362 409438024 /nfs/dbraw/zinc/43/80/24/409438024.db2.gz LKXHBLMQPDGUJG-UHFFFAOYSA-N 0 0 181.239 1.405 10 0 ADAERN CC(C)CC(=O)Nc1nccn1C 82277207 409438077 /nfs/dbraw/zinc/43/80/77/409438077.db2.gz BYMNBIGSMNHTAY-UHFFFAOYSA-N 0 0 181.239 1.405 10 0 ADAERN CCCNC(=O)c1c(C)noc1CC 656493438 409438195 /nfs/dbraw/zinc/43/81/95/409438195.db2.gz VFXMRTVGTVVOBN-UHFFFAOYSA-N 0 0 196.250 1.685 10 0 ADAERN C[C@H]1CC[N@@H+](C[C@@H](C)O)C[C@@H]1F 656494537 409438356 /nfs/dbraw/zinc/43/83/56/409438356.db2.gz ASGVZMLVALFRRB-YIZRAAEISA-N 0 0 175.247 1.047 10 0 ADAERN C[C@H]1CC[N@@H+](C[C@@H](C)O)C[C@H]1F 656494534 409438489 /nfs/dbraw/zinc/43/84/89/409438489.db2.gz ASGVZMLVALFRRB-DJLDLDEBSA-N 0 0 175.247 1.047 10 0 ADAERN CNC(=O)NC[C@H](C)c1ccccn1 656536668 409439302 /nfs/dbraw/zinc/43/93/02/409439302.db2.gz QIBCAMJIJHRWAU-QMMMGPOBSA-N 0 0 193.250 1.114 10 0 ADAERN CNC(=O)NC[C@@H](C)c1ccccn1 656536667 409439308 /nfs/dbraw/zinc/43/93/08/409439308.db2.gz QIBCAMJIJHRWAU-MRVPVSSYSA-N 0 0 193.250 1.114 10 0 ADAERN NC(=O)N1CCC(c2ccco2)CC1 656539412 409440036 /nfs/dbraw/zinc/44/00/36/409440036.db2.gz UCNVSPHWEPFFLF-UHFFFAOYSA-N 0 0 194.234 1.538 10 0 ADAERN COCCOC1CN(CC2(C)CC2)C1 656520193 409440196 /nfs/dbraw/zinc/44/01/96/409440196.db2.gz ZGZISFYPQXBJAV-UHFFFAOYSA-N 0 0 199.294 1.134 10 0 ADAERN CNC(=O)NCC[C@]1(C)CC1(F)F 656549447 409441378 /nfs/dbraw/zinc/44/13/78/409441378.db2.gz HCIKHIDTSXRIMD-SSDOTTSWSA-N 0 0 192.209 1.351 10 0 ADAERN CCC(C)(C)[C@H](C)NC(=O)NC 656541367 409441396 /nfs/dbraw/zinc/44/13/96/409441396.db2.gz ZRBAOIUCDBSKHG-ZETCQYMHSA-N 0 0 172.272 1.740 10 0 ADAERN CCNC(=O)N[C@@H](C)c1cscn1 656545047 409441557 /nfs/dbraw/zinc/44/15/57/409441557.db2.gz XUSOZFAYICUNFV-LURJTMIESA-N 0 0 199.279 1.523 10 0 ADAERN CCC(C)(C)[C@@H](C)NC(=O)NC 656541366 409441566 /nfs/dbraw/zinc/44/15/66/409441566.db2.gz ZRBAOIUCDBSKHG-SSDOTTSWSA-N 0 0 172.272 1.740 10 0 ADAERN CNC(=O)NCC[C@@]1(C)CC1(F)F 656549448 409441570 /nfs/dbraw/zinc/44/15/70/409441570.db2.gz HCIKHIDTSXRIMD-ZETCQYMHSA-N 0 0 192.209 1.351 10 0 ADAERN C[C@H]1c2ccccc2C[C@H]1NC(N)=O 656545993 409441578 /nfs/dbraw/zinc/44/15/78/409441578.db2.gz KTIFMLJLISCUAE-OIBJUYFYSA-N 0 0 190.246 1.383 10 0 ADAERN 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/nfs/dbraw/zinc/44/29/64/409442964.db2.gz KPYDELTYCYGZQZ-MRVPVSSYSA-N 0 0 188.246 1.397 10 0 ADAERN CC[C@](C)(NC(=O)NC)C1CC1 656555002 409443012 /nfs/dbraw/zinc/44/30/12/409443012.db2.gz SZKLQKFPDKNPIH-VIFPVBQESA-N 0 0 170.256 1.494 10 0 ADAERN CCNC(=O)N[C@](C)(CC)C1CC1 656555200 409443328 /nfs/dbraw/zinc/44/33/28/409443328.db2.gz YQTFYOFYHXWRML-SNVBAGLBSA-N 0 0 184.283 1.884 10 0 ADAERN CC1(C)CC[C@@H]1c1nc(CN)no1 656562166 409443348 /nfs/dbraw/zinc/44/33/48/409443348.db2.gz HYOCAUBLAKTEFL-ZCFIWIBFSA-N 0 0 181.239 1.432 10 0 ADAERN NC(=O)N1CCC[C@H](CCF)C1 656552529 409443448 /nfs/dbraw/zinc/44/34/48/409443448.db2.gz XAVKVXVPMALJFP-SSDOTTSWSA-N 0 0 174.219 1.137 10 0 ADAERN NC(=O)N1CCC[C@@H](CCF)C1 656552532 409443547 /nfs/dbraw/zinc/44/35/47/409443547.db2.gz XAVKVXVPMALJFP-ZETCQYMHSA-N 0 0 174.219 1.137 10 0 ADAERN CC[C@@H]1CCN1Cc1cnnn1CC 656557033 409443645 /nfs/dbraw/zinc/44/36/45/409443645.db2.gz YJYMCNGKBJLXCQ-SECBINFHSA-N 0 0 194.282 1.282 10 0 ADAERN CC[C@@](C)(NC(=O)NC)C1CC1 656555001 409443749 /nfs/dbraw/zinc/44/37/49/409443749.db2.gz SZKLQKFPDKNPIH-SECBINFHSA-N 0 0 170.256 1.494 10 0 ADAERN FC(F)CNCC1(F)CC1 656610078 409443812 /nfs/dbraw/zinc/44/38/12/409443812.db2.gz NRDMIOHJIKTGHR-UHFFFAOYSA-N 0 0 153.147 1.343 10 0 ADAERN CC1(C)CC[C@H]1c1nc(CN)no1 656562163 409443874 /nfs/dbraw/zinc/44/38/74/409443874.db2.gz HYOCAUBLAKTEFL-LURJTMIESA-N 0 0 181.239 1.432 10 0 ADAERN CNc1ccc2c(c1)CCOC2 656664905 409444353 /nfs/dbraw/zinc/44/43/53/409444353.db2.gz ABVGNMCYUJQHDV-UHFFFAOYSA-N 0 0 163.220 1.801 10 0 ADAERN CCOC1CN(Cc2conc2C)C1 656657050 409444671 /nfs/dbraw/zinc/44/46/71/409444671.db2.gz CGIZJCOCUQOCRP-UHFFFAOYSA-N 0 0 196.250 1.204 10 0 ADAERN CC(C)Nc1cc(F)ccc1C(N)=O 656658816 409444869 /nfs/dbraw/zinc/44/48/69/409444869.db2.gz LRVNCAYUXFVWIM-UHFFFAOYSA-N 0 0 196.225 1.745 10 0 ADAERN COC1(C)CN(CC2(F)CC2)C1 656621267 409445214 /nfs/dbraw/zinc/44/52/14/409445214.db2.gz ZPEMQQMHJQQNFO-UHFFFAOYSA-N 0 0 173.231 1.209 10 0 ADAERN CCOC1CN(Cc2ccccc2)C1 656657732 409445698 /nfs/dbraw/zinc/44/56/98/409445698.db2.gz HRDPIZASMQYKSI-UHFFFAOYSA-N 0 0 191.274 1.907 10 0 ADAERN CNc1cccc2c1CCN(C)C2=O 656671222 409445865 /nfs/dbraw/zinc/44/58/65/409445865.db2.gz HAUIBFPNBVVWSZ-UHFFFAOYSA-N 0 0 190.246 1.356 10 0 ADAERN CCOC1CN(CC2(F)CC2)C1 656657904 409445964 /nfs/dbraw/zinc/44/59/64/409445964.db2.gz JZZAROMEQZJMFR-UHFFFAOYSA-N 0 0 173.231 1.209 10 0 ADAERN CNc1ccc2c(c1)CCN(C)C2=O 656665683 409445891 /nfs/dbraw/zinc/44/58/91/409445891.db2.gz UXBKWGFQDKBMOD-UHFFFAOYSA-N 0 0 190.246 1.356 10 0 ADAERN OCCNc1ccc2c(c1)CCOC2 656665869 409445932 /nfs/dbraw/zinc/44/59/32/409445932.db2.gz LNVBPUGBFLROOX-UHFFFAOYSA-N 0 0 193.246 1.164 10 0 ADAERN CCNc1ccn(C2CCOCC2)n1 656669713 409445973 /nfs/dbraw/zinc/44/59/73/409445973.db2.gz FLMZPGGGNNYHIE-UHFFFAOYSA-N 0 0 195.266 1.666 10 0 ADAERN CNc1ccn(C2CCOCC2)n1 656670434 409445998 /nfs/dbraw/zinc/44/59/98/409445998.db2.gz QKFNZIPMVRFSGQ-UHFFFAOYSA-N 0 0 181.239 1.276 10 0 ADAERN FC(F)C1CN(CC2(F)CC2)C1 656690735 409446898 /nfs/dbraw/zinc/44/68/98/409446898.db2.gz PNLWTANDXROYRQ-UHFFFAOYSA-N 0 0 179.185 1.685 10 0 ADAERN FC1CC2(C1)CN(CC1(F)CC1)C2 656695535 409447393 /nfs/dbraw/zinc/44/73/93/409447393.db2.gz JPPUCSRIECCDNF-UHFFFAOYSA-N 0 0 187.233 1.922 10 0 ADAERN CO[C@@H]1CC[C@@H](c2nc(C)no2)C1 656749025 409448476 /nfs/dbraw/zinc/44/84/76/409448476.db2.gz DXHJWEAWQHYYRR-HTQZYQBOSA-N 0 0 182.223 1.661 10 0 ADAERN CO[C@H]1CC[C@H](c2nc(C)no2)C1 656749028 409448282 /nfs/dbraw/zinc/44/82/82/409448282.db2.gz DXHJWEAWQHYYRR-YUMQZZPRSA-N 0 0 182.223 1.661 10 0 ADAERN Cc1noc(C[C@H](C)[C@H]2CCCO2)n1 656749495 409448521 /nfs/dbraw/zinc/44/85/21/409448521.db2.gz NVIBJNDVDQZLRI-IONNQARKSA-N 0 0 196.250 1.736 10 0 ADAERN CO[C@@H]1CC[C@H](c2nc(C)no2)C1 656749026 409448546 /nfs/dbraw/zinc/44/85/46/409448546.db2.gz DXHJWEAWQHYYRR-JGVFFNPUSA-N 0 0 182.223 1.661 10 0 ADAERN CCOC1(C)CN(Cc2cc[nH]n2)C1 656736145 409448590 /nfs/dbraw/zinc/44/85/90/409448590.db2.gz YMNYQJKEOAZTAY-UHFFFAOYSA-N 0 0 195.266 1.021 10 0 ADAERN CCOC1(C)CN(CC2(F)CC2)C1 656737051 409448608 /nfs/dbraw/zinc/44/86/08/409448608.db2.gz DEXQHFTZGWCPEZ-UHFFFAOYSA-N 0 0 187.258 1.599 10 0 ADAERN CO[C@@H](c1nc(C)no1)[C@@H]1CCOC1 656748819 409448697 /nfs/dbraw/zinc/44/86/97/409448697.db2.gz CVJKMIRQPQVMPF-HTQZYQBOSA-N 0 0 198.222 1.102 10 0 ADAERN Cc1noc([C@@]23C[C@@H]2COC3(C)C)n1 656748807 409448656 /nfs/dbraw/zinc/44/86/56/409448656.db2.gz CPMFDFPZFLHHAH-GMSGAONNSA-N 0 0 194.234 1.445 10 0 ADAERN Cc1noc(C(C)(C)n2cccn2)n1 656749047 409448681 /nfs/dbraw/zinc/44/86/81/409448681.db2.gz FYSOIIHSXUCANK-UHFFFAOYSA-N 0 0 192.222 1.358 10 0 ADAERN Cc1noc(C[C@@H](C)[C@@H]2CCCO2)n1 656749493 409448811 /nfs/dbraw/zinc/44/88/11/409448811.db2.gz NVIBJNDVDQZLRI-APPZFPTMSA-N 0 0 196.250 1.736 10 0 ADAERN CCOC1(C)CN(Cc2cn[nH]c2)C1 656736129 409448860 /nfs/dbraw/zinc/44/88/60/409448860.db2.gz SFKIBIBFEJJALR-UHFFFAOYSA-N 0 0 195.266 1.021 10 0 ADAERN CO[C@@H](c1nc(C)no1)[C@H]1CCOC1 656748828 409448869 /nfs/dbraw/zinc/44/88/69/409448869.db2.gz 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656749027 409449200 /nfs/dbraw/zinc/44/92/00/409449200.db2.gz DXHJWEAWQHYYRR-SFYZADRCSA-N 0 0 182.223 1.661 10 0 ADAERN CCOC1(C)CN(Cc2ccco2)C1 656729846 409449244 /nfs/dbraw/zinc/44/92/44/409449244.db2.gz JMSXIVJBZNBYAA-UHFFFAOYSA-N 0 0 195.262 1.890 10 0 ADAERN CCOC1(C)CN(Cc2cocn2)C1 656736124 409449287 /nfs/dbraw/zinc/44/92/87/409449287.db2.gz OXWOHMFCBJVWOI-UHFFFAOYSA-N 0 0 196.250 1.285 10 0 ADAERN FC(F)OC1CN(CC2(F)CC2)C1 656771480 409449976 /nfs/dbraw/zinc/44/99/76/409449976.db2.gz ABFCHURIVIEOKX-UHFFFAOYSA-N 0 0 195.184 1.412 10 0 ADAERN COCC1(C)CN(CC2(F)CC2)C1 656785668 409450422 /nfs/dbraw/zinc/45/04/22/409450422.db2.gz BLJSZXQXUIJYNV-UHFFFAOYSA-N 0 0 187.258 1.457 10 0 ADAERN O=C([O-])C12CC(C[N@@H+]1CC1CCC1)C2 656761928 409450579 /nfs/dbraw/zinc/45/05/79/409450579.db2.gz ZKYDDXJDSSJSMB-UHFFFAOYSA-N 0 0 195.262 1.336 10 0 ADAERN O=C([O-])C12CC(C[N@@H+]1CCC1CC1)C2 656761855 409450660 /nfs/dbraw/zinc/45/06/60/409450660.db2.gz YPOXIWNFUDABLI-UHFFFAOYSA-N 0 0 195.262 1.336 10 0 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AOODGUDAJFWFKS-SNAWJCMRSA-N 0 0 182.223 1.501 10 0 ADAERN CC(C)=CCCn1cncc(F)c1=O 657262396 409464244 /nfs/dbraw/zinc/46/42/44/409464244.db2.gz HLGUUMVCHRXIBI-UHFFFAOYSA-N 0 0 196.225 1.739 10 0 ADAERN CSc1ncc(OCCF)cn1 657263438 409464315 /nfs/dbraw/zinc/46/43/15/409464315.db2.gz BTFXDCPHKJHHFB-UHFFFAOYSA-N 0 0 188.227 1.547 10 0 ADAERN Cc1nc(C(F)(F)F)nn1CCF 657263023 409464538 /nfs/dbraw/zinc/46/45/38/409464538.db2.gz ABGMAFJFVRZBDY-UHFFFAOYSA-N 0 0 197.135 1.575 10 0 ADAERN CO[C@@H](Cn1ccnn1)C1CCC1 657261177 409464698 /nfs/dbraw/zinc/46/46/98/409464698.db2.gz ZTOGAWYTLWYEOW-VIFPVBQESA-N 0 0 181.239 1.093 10 0 ADAERN COc1cnn(C)c1C(F)(F)F 657262790 409464730 /nfs/dbraw/zinc/46/47/30/409464730.db2.gz HPMOBGOEWSSMET-UHFFFAOYSA-N 0 0 180.129 1.448 10 0 ADAERN CC[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 117577296 409464867 /nfs/dbraw/zinc/46/48/67/409464867.db2.gz VTGBRIFNESBPSR-JGVFFNPUSA-N 0 0 171.240 1.049 10 0 ADAERN CC[N@@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 117577293 409465109 /nfs/dbraw/zinc/46/51/09/409465109.db2.gz VTGBRIFNESBPSR-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN CCNC(=O)N[C@H](C)C(C)(C)C 118728326 409465120 /nfs/dbraw/zinc/46/51/20/409465120.db2.gz RCULZOZXUDZEAF-SSDOTTSWSA-N 0 0 172.272 1.740 10 0 ADAERN NC(=O)C1(Nc2ccccc2)CC1 116450408 409465216 /nfs/dbraw/zinc/46/52/16/409465216.db2.gz QDFOMEYXDILYLC-UHFFFAOYSA-N 0 0 176.219 1.116 10 0 ADAERN CC[C@H](C)Cn1nc(C)oc1=O 657278592 409465442 /nfs/dbraw/zinc/46/54/42/409465442.db2.gz IIVYUVJPZNKWMU-LURJTMIESA-N 0 0 170.212 1.191 10 0 ADAERN CCC(C)(C)CCn1nc(C)oc1=O 657278883 409465604 /nfs/dbraw/zinc/46/56/04/409465604.db2.gz KVCAJKLBPRLLBH-UHFFFAOYSA-N 0 0 198.266 1.971 10 0 ADAERN Cc1nn(COC2CCCC2)c(=O)o1 657279096 409465790 /nfs/dbraw/zinc/46/57/90/409465790.db2.gz KAANDBKTEOFXQR-UHFFFAOYSA-N 0 0 198.222 1.061 10 0 ADAERN Cc1nn(CC2=CCCC2)c(=O)o1 657278417 409465868 /nfs/dbraw/zinc/46/58/68/409465868.db2.gz AYCUUTVRRDUDJG-UHFFFAOYSA-N 0 0 180.207 1.255 10 0 ADAERN CC1(C)[C@H](C(N)=O)[C@H]1c1ccccc1 118798291 409465925 /nfs/dbraw/zinc/46/59/25/409465925.db2.gz OJCXJATXNUQIKZ-ZJUUUORDSA-N 0 0 189.258 1.912 10 0 ADAERN Cc1nn(CC2(C)CCC2)c(=O)o1 657279729 409465928 /nfs/dbraw/zinc/46/59/28/409465928.db2.gz RUKSUISTOQZHKY-UHFFFAOYSA-N 0 0 182.223 1.335 10 0 ADAERN Cc1nn(CC2=CCCCC2)c(=O)o1 657279372 409465956 /nfs/dbraw/zinc/46/59/56/409465956.db2.gz NDSLDXDLRFNACW-UHFFFAOYSA-N 0 0 194.234 1.645 10 0 ADAERN CC[C@@H](C)Cn1nc(C)oc1=O 657278593 409465989 /nfs/dbraw/zinc/46/59/89/409465989.db2.gz IIVYUVJPZNKWMU-ZCFIWIBFSA-N 0 0 170.212 1.191 10 0 ADAERN Cc1nn(CCCCCF)c(=O)o1 657278416 409466018 /nfs/dbraw/zinc/46/60/18/409466018.db2.gz AYCJCQMODHXKEE-UHFFFAOYSA-N 0 0 188.202 1.285 10 0 ADAERN C[C@@H](NC(=O)NC1CC1)C(C)(C)C 123322113 409467456 /nfs/dbraw/zinc/46/74/56/409467456.db2.gz ZGIBSAJQZPOSIT-SSDOTTSWSA-N 0 0 184.283 1.883 10 0 ADAERN CC(=O)CN1CCS[C@@H](C)C1 123590515 409467810 /nfs/dbraw/zinc/46/78/10/409467810.db2.gz QXVZIPXQRIJMIC-QMMMGPOBSA-N 0 0 173.281 1.013 10 0 ADAERN C[C@@H](NC(=O)N(C)C)C(C)(C)C 123248866 409468017 /nfs/dbraw/zinc/46/80/17/409468017.db2.gz GEZLVJPZBQRIEB-SSDOTTSWSA-N 0 0 172.272 1.692 10 0 ADAERN CNC(=O)N[C@H](C)C(C)(C)C 123321064 409468604 /nfs/dbraw/zinc/46/86/04/409468604.db2.gz UBSIYFQZTLFKAJ-ZCFIWIBFSA-N 0 0 158.245 1.350 10 0 ADAERN Cc1c[nH]c(CNCC(F)(F)F)n1 657298260 409469675 /nfs/dbraw/zinc/46/96/75/409469675.db2.gz NPORAZOWQGPMAN-UHFFFAOYSA-N 0 0 193.172 1.370 10 0 ADAERN CC[C@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CO1 657353657 409471459 /nfs/dbraw/zinc/47/14/59/409471459.db2.gz IRNLTAADOMGKQP-UWVGGRQHSA-N 0 0 195.266 1.067 10 0 ADAERN CC(C)n1ccnc1C[NH2+][C@@H]1C[C@H]1C 657346604 409471270 /nfs/dbraw/zinc/47/12/70/409471270.db2.gz KRDBLCOVFSUSJF-NXEZZACHSA-N 0 0 193.294 1.962 10 0 ADAERN CC(C)n1ccnc1C[NH2+][C@@H]1C[C@@H]1C 657346606 409471394 /nfs/dbraw/zinc/47/13/94/409471394.db2.gz KRDBLCOVFSUSJF-VHSXEESVSA-N 0 0 193.294 1.962 10 0 ADAERN Cc1c[nH]c(C[NH2+][C@H]2C[C@@H]2C)n1 657347210 409471479 /nfs/dbraw/zinc/47/14/79/409471479.db2.gz VQFFEJUCPPGZRI-XPUUQOCRSA-N 0 0 165.240 1.216 10 0 ADAERN Cc1c[nH]c(C[NH2+][C@@H]2C[C@H]2C)n1 657347169 409471534 /nfs/dbraw/zinc/47/15/34/409471534.db2.gz VQFFEJUCPPGZRI-HTRCEHHLSA-N 0 0 165.240 1.216 10 0 ADAERN Cc1nc(C[NH2+][C@@H]2C[C@@H]2C)[nH]c1C 657346919 409471812 /nfs/dbraw/zinc/47/18/12/409471812.db2.gz QVKRVCDWOWYANY-IMTBSYHQSA-N 0 0 179.267 1.525 10 0 ADAERN CC(C)n1ccnc1C[NH2+][C@H]1C[C@H]1C 657346607 409471940 /nfs/dbraw/zinc/47/19/40/409471940.db2.gz KRDBLCOVFSUSJF-ZJUUUORDSA-N 0 0 193.294 1.962 10 0 ADAERN Cc1nc(C[NH2+][C@@H]2C[C@H]2C)[nH]c1C 657346918 409472066 /nfs/dbraw/zinc/47/20/66/409472066.db2.gz QVKRVCDWOWYANY-HZGVNTEJSA-N 0 0 179.267 1.525 10 0 ADAERN Cc1nc(C[NH2+][C@H]2C[C@H]2C)[nH]c1C 657346920 409472231 /nfs/dbraw/zinc/47/22/31/409472231.db2.gz QVKRVCDWOWYANY-MUWHJKNJSA-N 0 0 179.267 1.525 10 0 ADAERN Cc1c[nH]c(C[NH2+][C@H]2C[C@H]2C)n1 657347171 409472237 /nfs/dbraw/zinc/47/22/37/409472237.db2.gz VQFFEJUCPPGZRI-SVRRBLITSA-N 0 0 165.240 1.216 10 0 ADAERN CC(C)n1ccnc1C[NH2+][C@H]1C[C@@H]1C 657346605 409472431 /nfs/dbraw/zinc/47/24/31/409472431.db2.gz KRDBLCOVFSUSJF-UWVGGRQHSA-N 0 0 193.294 1.962 10 0 ADAERN Cc1nc(C[NH2+][C@H]2C[C@@H]2C)[nH]c1C 657346921 409472541 /nfs/dbraw/zinc/47/25/41/409472541.db2.gz QVKRVCDWOWYANY-RCOVLWMOSA-N 0 0 179.267 1.525 10 0 ADAERN CC[C@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CO1 657353660 409472622 /nfs/dbraw/zinc/47/26/22/409472622.db2.gz IRNLTAADOMGKQP-ZJUUUORDSA-N 0 0 195.266 1.067 10 0 ADAERN CC[C@@H]1C[C@@H]([NH2+]Cc2cc[nH]n2)CO1 657353654 409472681 /nfs/dbraw/zinc/47/26/81/409472681.db2.gz IRNLTAADOMGKQP-NXEZZACHSA-N 0 0 195.266 1.067 10 0 ADAERN Cc1c[nH]c(C[NH2+][C@@H]2C[C@@H]2C)n1 657347170 409472694 /nfs/dbraw/zinc/47/26/94/409472694.db2.gz VQFFEJUCPPGZRI-POYBYMJQSA-N 0 0 165.240 1.216 10 0 ADAERN CC[C@@H]1C[C@H]([NH2+]Cc2cc[nH]n2)CO1 657353658 409472768 /nfs/dbraw/zinc/47/27/68/409472768.db2.gz IRNLTAADOMGKQP-VHSXEESVSA-N 0 0 195.266 1.067 10 0 ADAERN Cc1nnc(N[C@@H]2CCO[C@@H]2C)s1 126204140 409475542 /nfs/dbraw/zinc/47/55/42/409475542.db2.gz DLPSAHOYLBQWRZ-IYSWYEEDSA-N 0 0 199.279 1.436 10 0 ADAERN FCCC[NH2+]Cc1cc2n(n1)CCC2 657400886 409476277 /nfs/dbraw/zinc/47/62/77/409476277.db2.gz OPPMRYFXRZIYEF-UHFFFAOYSA-N 0 0 197.257 1.279 10 0 ADAERN FCCC[NH2+]Cc1cnn2c1CCC2 657399363 409476544 /nfs/dbraw/zinc/47/65/44/409476544.db2.gz IBHBFAIWSHJNIZ-UHFFFAOYSA-N 0 0 197.257 1.279 10 0 ADAERN CC[C@H]1C[C@H](NCC(C)(F)F)CO1 657474868 409477066 /nfs/dbraw/zinc/47/70/66/409477066.db2.gz GKMUBGONVHUEMG-YUMQZZPRSA-N 0 0 193.237 1.799 10 0 ADAERN CCN(CC)C(=O)N[C@@H]1C[C@H]1C 127273542 409477080 /nfs/dbraw/zinc/47/70/80/409477080.db2.gz FDUMZMFIHVRNEH-HTQZYQBOSA-N 0 0 170.256 1.446 10 0 ADAERN CC[C@H]1C[C@@H](NCC(F)F)CO1 657463576 409477101 /nfs/dbraw/zinc/47/71/01/409477101.db2.gz OOIPQKCGZUDAJQ-RQJHMYQMSA-N 0 0 179.210 1.409 10 0 ADAERN CC[C@@H]1C[C@@H](NCC(F)F)CO1 657463575 409477340 /nfs/dbraw/zinc/47/73/40/409477340.db2.gz OOIPQKCGZUDAJQ-RNFRBKRXSA-N 0 0 179.210 1.409 10 0 ADAERN CCN(CC)C(=O)N[C@@H]1C[C@@H]1C 127272986 409477498 /nfs/dbraw/zinc/47/74/98/409477498.db2.gz FDUMZMFIHVRNEH-JGVFFNPUSA-N 0 0 170.256 1.446 10 0 ADAERN CC[C@@H]1C[C@H](NCC(F)F)CO1 657463574 409477589 /nfs/dbraw/zinc/47/75/89/409477589.db2.gz OOIPQKCGZUDAJQ-NKWVEPMBSA-N 0 0 179.210 1.409 10 0 ADAERN CC[C@@H]1C[C@H](NCC(C)(F)F)CO1 657474865 409477821 /nfs/dbraw/zinc/47/78/21/409477821.db2.gz GKMUBGONVHUEMG-JGVFFNPUSA-N 0 0 193.237 1.799 10 0 ADAERN CCN(CC)C(=O)N[C@H]1C[C@@H]1C 127273247 409477831 /nfs/dbraw/zinc/47/78/31/409477831.db2.gz FDUMZMFIHVRNEH-YUMQZZPRSA-N 0 0 170.256 1.446 10 0 ADAERN CC[C@H]1C[C@@H](NCC(C)(F)F)CO1 657474866 409478100 /nfs/dbraw/zinc/47/81/00/409478100.db2.gz GKMUBGONVHUEMG-SFYZADRCSA-N 0 0 193.237 1.799 10 0 ADAERN CC[C@H]1C[C@H](NCC(F)F)CO1 657463572 409478108 /nfs/dbraw/zinc/47/81/08/409478108.db2.gz OOIPQKCGZUDAJQ-BQBZGAKWSA-N 0 0 179.210 1.409 10 0 ADAERN CC[C@@H]1C[C@@H](NCC(C)(F)F)CO1 657474864 409478336 /nfs/dbraw/zinc/47/83/36/409478336.db2.gz GKMUBGONVHUEMG-HTQZYQBOSA-N 0 0 193.237 1.799 10 0 ADAERN CCN(CC)C(=O)N[C@H]1C[C@H]1C 127273747 409478819 /nfs/dbraw/zinc/47/88/19/409478819.db2.gz FDUMZMFIHVRNEH-SFYZADRCSA-N 0 0 170.256 1.446 10 0 ADAERN CCCN(C(=O)NC)C(C)C 126953053 409478962 /nfs/dbraw/zinc/47/89/62/409478962.db2.gz GEBNSMSXBROVRB-UHFFFAOYSA-N 0 0 158.245 1.446 10 0 ADAERN Cc1nc(C[NH2+][C@@H]2CC23CC3)[nH]c1C 657494562 409479018 /nfs/dbraw/zinc/47/90/18/409479018.db2.gz BOQQDXQDPPGQRE-SECBINFHSA-N 0 0 191.278 1.669 10 0 ADAERN Cc1nc(C[NH2+][C@H]2CC23CC3)[nH]c1C 657494564 409479876 /nfs/dbraw/zinc/47/98/76/409479876.db2.gz BOQQDXQDPPGQRE-VIFPVBQESA-N 0 0 191.278 1.669 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)NC(C)(C)C 130998744 409482485 /nfs/dbraw/zinc/48/24/85/409482485.db2.gz WZKWZXGLWITIRO-RQJHMYQMSA-N 0 0 170.256 1.493 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)NC(C)(C)C 130999173 409483625 /nfs/dbraw/zinc/48/36/25/409483625.db2.gz WZKWZXGLWITIRO-RNFRBKRXSA-N 0 0 170.256 1.493 10 0 ADAERN CCO[C@H]1C[C@H](NCc2cocn2)C1 657610076 409486011 /nfs/dbraw/zinc/48/60/11/409486011.db2.gz OUBFMICAAOZCNZ-CZMCAQCFSA-N 0 0 196.250 1.332 10 0 ADAERN CCn1ccc(NCC2(F)CC2)n1 657617139 409486681 /nfs/dbraw/zinc/48/66/81/409486681.db2.gz YJHKJHCHQOQKKJ-UHFFFAOYSA-N 0 0 183.230 1.817 10 0 ADAERN C[C@@H](NC(=O)c1cn[nH]c1)C(C)(C)C 132836444 409490842 /nfs/dbraw/zinc/49/08/42/409490842.db2.gz PMJPYNXUQRCGDN-SSDOTTSWSA-N 0 0 195.266 1.574 10 0 ADAERN CO[C@@H](C)C(=O)N[C@H](C)C(C)(C)C 132833725 409491460 /nfs/dbraw/zinc/49/14/60/409491460.db2.gz QKNPKWQNYWMDKN-JGVFFNPUSA-N 0 0 187.283 1.572 10 0 ADAERN CO[C@H](C)C(=O)N[C@H](C)C(C)(C)C 132833911 409491539 /nfs/dbraw/zinc/49/15/39/409491539.db2.gz QKNPKWQNYWMDKN-HTQZYQBOSA-N 0 0 187.283 1.572 10 0 ADAERN CCCC(CCC)C(=O)NC1COC1 132952778 409491617 /nfs/dbraw/zinc/49/16/17/409491617.db2.gz AQZZIKQLIRHZAW-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN CCOCC(=O)N[C@H](C)C(C)(C)C 132829784 409491940 /nfs/dbraw/zinc/49/19/40/409491940.db2.gz DROXCLXELLYQLK-MRVPVSSYSA-N 0 0 187.283 1.574 10 0 ADAERN COCC(=O)N[C@H](C)C(C)(C)C 132831987 409491985 /nfs/dbraw/zinc/49/19/85/409491985.db2.gz OROFFROWACWHNO-SSDOTTSWSA-N 0 0 173.256 1.184 10 0 ADAERN Cc1cn[nH]c1C[NH2+]C1CC(C)(C)C1 657802174 409495196 /nfs/dbraw/zinc/49/51/96/409495196.db2.gz TXJRLWCFXIELIW-UHFFFAOYSA-N 0 0 193.294 1.996 10 0 ADAERN C[C@@H](NCC1(F)CC1)c1nccn1C 657794265 409495229 /nfs/dbraw/zinc/49/52/29/409495229.db2.gz QDOKNVIGZZKGLY-MRVPVSSYSA-N 0 0 197.257 1.573 10 0 ADAERN C[C@H](NCC1(F)CC1)c1nccn1C 657794266 409495574 /nfs/dbraw/zinc/49/55/74/409495574.db2.gz QDOKNVIGZZKGLY-QMMMGPOBSA-N 0 0 197.257 1.573 10 0 ADAERN Cc1cn(C)nc1NCc1cocn1 657813112 409498124 /nfs/dbraw/zinc/49/81/24/409498124.db2.gz YVXBJXSAZCZGOL-UHFFFAOYSA-N 0 0 192.222 1.329 10 0 ADAERN Cc1cn(C)nc1NCc1cc[nH]n1 657812550 409498575 /nfs/dbraw/zinc/49/85/75/409498575.db2.gz PTPRDOSJKRROCZ-UHFFFAOYSA-N 0 0 191.238 1.064 10 0 ADAERN CC[NH2+][C@H]1CCCn2nccc21 657824246 409498926 /nfs/dbraw/zinc/49/89/26/409498926.db2.gz FFMVJLPTHZUBBL-QMMMGPOBSA-N 0 0 165.240 1.328 10 0 ADAERN CC[NH2+][C@@H]1CCCn2nccc21 657824245 409499643 /nfs/dbraw/zinc/49/96/43/409499643.db2.gz FFMVJLPTHZUBBL-MRVPVSSYSA-N 0 0 165.240 1.328 10 0 ADAERN CCc1nnc(N)c(C)c1C 150135629 409500722 /nfs/dbraw/zinc/50/07/22/409500722.db2.gz INGOYLSFYYRIHY-UHFFFAOYSA-N 0 0 151.213 1.238 10 0 ADAERN C[C@H](CO)[C@@H](C)Nc1ccccn1 160635921 409501856 /nfs/dbraw/zinc/50/18/56/409501856.db2.gz CPSLGWGBDWXWCA-RKDXNWHRSA-N 0 0 180.251 1.510 10 0 ADAERN C[C@H](Nc1ccccn1)[C@@H](C)CO 160635998 409501905 /nfs/dbraw/zinc/50/19/05/409501905.db2.gz CPSLGWGBDWXWCA-IUCAKERBSA-N 0 0 180.251 1.510 10 0 ADAERN Cc1ccoc1-c1ncc(N)cn1 160633283 409501938 /nfs/dbraw/zinc/50/19/38/409501938.db2.gz PCCKJQYILSNNMC-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN C[C@@H](CO)[C@@H](C)Nc1ccccn1 160635819 409501944 /nfs/dbraw/zinc/50/19/44/409501944.db2.gz CPSLGWGBDWXWCA-DTWKUNHWSA-N 0 0 180.251 1.510 10 0 ADAERN 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409542439 /nfs/dbraw/zinc/54/24/39/409542439.db2.gz IMUBELCLPKVDGL-UHFFFAOYSA-N 0 0 168.240 1.825 10 0 ADAERN Cc1nc(CN2CCOCC2)c(C)o1 659813520 409542671 /nfs/dbraw/zinc/54/26/71/409542671.db2.gz JAIVYHMXRZKLKW-UHFFFAOYSA-N 0 0 196.250 1.124 10 0 ADAERN CC[C@H](C)C(=O)N1Cc2c[nH]nc2C1 306203632 409544527 /nfs/dbraw/zinc/54/45/27/409544527.db2.gz MPRGMIKNVBUYAX-ZETCQYMHSA-N 0 0 193.250 1.298 10 0 ADAERN CC[C@@H]1CCN1C(=O)N[C@@H]1C[C@@H]1C 306192352 409544876 /nfs/dbraw/zinc/54/48/76/409544876.db2.gz ZOWMOZJVOPKOAC-DJLDLDEBSA-N 0 0 182.267 1.589 10 0 ADAERN O=C(NC1CC1)[C@@H]1C[C@H]1C1CCC1 306183433 409544891 /nfs/dbraw/zinc/54/48/91/409544891.db2.gz AWDXQRHQMOATRU-VHSXEESVSA-N 0 0 179.263 1.701 10 0 ADAERN C[C@H]1CC[C@@H](C)CN1C(=O)[C@@H](C)O 306185473 409545258 /nfs/dbraw/zinc/54/52/58/409545258.db2.gz AMJXTFPBVPTUHE-HRDYMLBCSA-N 0 0 185.267 1.014 10 0 ADAERN CC[C@@H]1CCN1C(=O)N[C@@H]1C[C@H]1C 306192354 409545116 /nfs/dbraw/zinc/54/51/16/409545116.db2.gz ZOWMOZJVOPKOAC-IWSPIJDZSA-N 0 0 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C[C@@]1(C(=O)N2CCCO2)C[C@@H]2C[C@@H]2C1 334198319 409786961 /nfs/dbraw/zinc/78/69/61/409786961.db2.gz LMTDLVSGWRBEGR-JZYVYDRUSA-N 0 0 195.262 1.587 10 0 ADAERN c1cnn(Cc2ncc(C3CC3)o2)c1 334202198 409787017 /nfs/dbraw/zinc/78/70/17/409787017.db2.gz POAOMKQVYKRPDQ-UHFFFAOYSA-N 0 0 189.218 1.797 10 0 ADAERN C[C@@H]1CCN(C(=O)CC(N)=O)C[C@@H]1C 334196697 409787340 /nfs/dbraw/zinc/78/73/40/409787340.db2.gz IOHBWGMRLRCDEN-SFYZADRCSA-N 0 0 198.266 1.416 10 0 ADAERN CC(C)c1nnc(N[C@H]2CC[C@H]2C)o1 334585184 409787698 /nfs/dbraw/zinc/78/76/98/409787698.db2.gz ZQWCUGMFXIFUGX-SFYZADRCSA-N 0 0 195.266 2.403 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)Nc1ccon1 334663785 409787745 /nfs/dbraw/zinc/78/77/45/409787745.db2.gz ONJVPUQKLKXOTO-KNVOCYPGSA-N 0 0 195.222 1.689 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)Nc1cc(C)on1 334669880 409787759 /nfs/dbraw/zinc/78/77/59/409787759.db2.gz JBHMCVUBPXZKFV-HTQZYQBOSA-N 0 0 194.234 1.968 10 0 ADAERN CC(=O)c1csc(NC2CCC2)n1 334603960 409787808 /nfs/dbraw/zinc/78/78/08/409787808.db2.gz TWQJNCRBRCOBPC-UHFFFAOYSA-N 0 0 196.275 2.310 10 0 ADAERN FC1(F)CC(Nc2nncs2)C1 334659836 409787912 /nfs/dbraw/zinc/78/79/12/409787912.db2.gz GOIJRUWRAYMXPA-UHFFFAOYSA-N 0 0 191.206 1.748 10 0 ADAERN C[C@H]1C[C@H](C)N1C(=O)Nc1ccon1 334663782 409788072 /nfs/dbraw/zinc/78/80/72/409788072.db2.gz ONJVPUQKLKXOTO-BQBZGAKWSA-N 0 0 195.222 1.689 10 0 ADAERN CC[C@H]1CCN1C(=O)Nc1ccon1 334680290 409788083 /nfs/dbraw/zinc/78/80/83/409788083.db2.gz HYWMWSKYUVFMJF-ZETCQYMHSA-N 0 0 195.222 1.691 10 0 ADAERN CC(=O)c1nc(NC(C)C)sc1C 334603987 409788115 /nfs/dbraw/zinc/78/81/15/409788115.db2.gz UNTKYYUIHGNKDM-UHFFFAOYSA-N 0 0 198.291 2.474 10 0 ADAERN CC(=O)c1nc(NC2CC2)sc1C 334601429 409788137 /nfs/dbraw/zinc/78/81/37/409788137.db2.gz HTWUEAHYFMVBAL-UHFFFAOYSA-N 0 0 196.275 2.228 10 0 ADAERN C[C@@H]1C[C@@H](C)N1C(=O)Nc1ccon1 334663786 409788200 /nfs/dbraw/zinc/78/82/00/409788200.db2.gz ONJVPUQKLKXOTO-RNFRBKRXSA-N 0 0 195.222 1.689 10 0 ADAERN Cc1cc(CNc2nnco2)cs1 334667104 409788213 /nfs/dbraw/zinc/78/82/13/409788213.db2.gz ULHBRYFBQLRUPM-UHFFFAOYSA-N 0 0 195.247 2.052 10 0 ADAERN CC(C)c1nnc(N[C@@H]2CC[C@@H]2C)o1 334585182 409788257 /nfs/dbraw/zinc/78/82/57/409788257.db2.gz ZQWCUGMFXIFUGX-JGVFFNPUSA-N 0 0 195.266 2.403 10 0 ADAERN CC(C)c1nnc(N[C@@H]2CC2(C)C)o1 334652216 409788291 /nfs/dbraw/zinc/78/82/91/409788291.db2.gz CNRYBUXKLQVSKX-SSDOTTSWSA-N 0 0 195.266 2.403 10 0 ADAERN CC[C@@H]1CCN1C(=O)Nc1ccon1 334680288 409788305 /nfs/dbraw/zinc/78/83/05/409788305.db2.gz HYWMWSKYUVFMJF-SSDOTTSWSA-N 0 0 195.222 1.691 10 0 ADAERN CC(C)c1nnc(N[C@H]2CC[C@@H]2C)o1 334585186 409788372 /nfs/dbraw/zinc/78/83/72/409788372.db2.gz ZQWCUGMFXIFUGX-YUMQZZPRSA-N 0 0 195.266 2.403 10 0 ADAERN CC(C)c1nnc(N[C@@H]2CC[C@H]2C)o1 334585180 409788384 /nfs/dbraw/zinc/78/83/84/409788384.db2.gz ZQWCUGMFXIFUGX-HTQZYQBOSA-N 0 0 195.266 2.403 10 0 ADAERN CCCNC(=O)[C@H]1CC12CC2 334983665 409789980 /nfs/dbraw/zinc/78/99/80/409789980.db2.gz FVHGKKBIASKOJS-SSDOTTSWSA-N 0 0 153.225 1.313 10 0 ADAERN CN(CC1CC1)C(=O)[C@H]1CC12CC2 334999091 409790011 /nfs/dbraw/zinc/79/00/11/409790011.db2.gz CNLIXXXQAVABGT-SECBINFHSA-N 0 0 179.263 1.655 10 0 ADAERN CCCNC(=O)[C@@H]1CC12CC2 334983666 409790052 /nfs/dbraw/zinc/79/00/52/409790052.db2.gz FVHGKKBIASKOJS-ZETCQYMHSA-N 0 0 153.225 1.313 10 0 ADAERN Cc1cc(C(=O)N[C@H]2CC23CC3)on1 335114170 409791265 /nfs/dbraw/zinc/79/12/65/409791265.db2.gz LWGUDDLDBGBBTG-QMMMGPOBSA-N 0 0 192.218 1.265 10 0 ADAERN Cc1cc(C(=O)N[C@@H]2CC23CC3)on1 335114165 409791299 /nfs/dbraw/zinc/79/12/99/409791299.db2.gz LWGUDDLDBGBBTG-MRVPVSSYSA-N 0 0 192.218 1.265 10 0 ADAERN OCc1cc(NC2CCC2)ncc1F 663573540 409792446 /nfs/dbraw/zinc/79/24/46/409792446.db2.gz BRUKZCZZXTVICK-UHFFFAOYSA-N 0 0 196.225 1.677 10 0 ADAERN CC1(C)CCCN1c1cnccn1 663538144 409792949 /nfs/dbraw/zinc/79/29/49/409792949.db2.gz JXUSTHCKSSEKHA-UHFFFAOYSA-N 0 0 177.251 1.855 10 0 ADAERN c1cnc(N2CCC[C@H]2C2CC2)cn1 663537015 409793123 /nfs/dbraw/zinc/79/31/23/409793123.db2.gz AHCAVTCSVRRYAU-JTQLQIEISA-N 0 0 189.262 1.855 10 0 ADAERN c1cnc(N2CCC[C@@H]2C2CC2)cn1 663537016 409793492 /nfs/dbraw/zinc/79/34/92/409793492.db2.gz AHCAVTCSVRRYAU-SNVBAGLBSA-N 0 0 189.262 1.855 10 0 ADAERN CC(C)CCN1C(=O)CC(C)(C)C1=O 336169988 409794366 /nfs/dbraw/zinc/79/43/66/409794366.db2.gz DDBIOHBSMAALOF-UHFFFAOYSA-N 0 0 197.278 1.818 10 0 ADAERN FC1CC2(C1)CN(c1cnccn1)C2 663740305 409796676 /nfs/dbraw/zinc/79/66/76/409796676.db2.gz ALTPLYDPNLMTCT-UHFFFAOYSA-N 0 0 193.225 1.415 10 0 ADAERN CC[C@H]1CCN1C(=O)Cc1ccco1 335956169 409794531 /nfs/dbraw/zinc/79/45/31/409794531.db2.gz DWUFBJRRLQLHQB-VIFPVBQESA-N 0 0 193.246 1.833 10 0 ADAERN CCc1[nH]nc(NC(=O)C(C)C)c1C 336365824 409794681 /nfs/dbraw/zinc/79/46/81/409794681.db2.gz SQYSIZFZPFRQPF-UHFFFAOYSA-N 0 0 195.266 1.875 10 0 ADAERN CC(C)c1nnc(NC2CCC2)o1 336190544 409794905 /nfs/dbraw/zinc/79/49/05/409794905.db2.gz QNLYXJPFNAPBPH-UHFFFAOYSA-N 0 0 181.239 2.157 10 0 ADAERN CC1(C)C[C@H]1NC(=O)Nc1ccon1 336004554 409795101 /nfs/dbraw/zinc/79/51/01/409795101.db2.gz XNTSZARCBQUXLC-ZCFIWIBFSA-N 0 0 195.222 1.595 10 0 ADAERN Cc1cnc(N2CC(C)C2)nc1 663804535 409795346 /nfs/dbraw/zinc/79/53/46/409795346.db2.gz AMHVXRPUYFHTGN-UHFFFAOYSA-N 0 0 163.224 1.241 10 0 ADAERN Cc1nnc([C@@H](C)N2CC=CCC2)[nH]1 663693890 409795718 /nfs/dbraw/zinc/79/57/18/409795718.db2.gz AMZADVXGRPBWAR-MRVPVSSYSA-N 0 0 192.266 1.436 10 0 ADAERN CCNc1nc(C(C)=O)c(C)s1 336186888 409795835 /nfs/dbraw/zinc/79/58/35/409795835.db2.gz DXADDVJJRHGCAV-UHFFFAOYSA-N 0 0 184.264 2.086 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)C1(O)CCCCC1 336183463 409795884 /nfs/dbraw/zinc/79/58/84/409795884.db2.gz HJOWOERCFIYWNS-RKDXNWHRSA-N 0 0 197.278 1.206 10 0 ADAERN Cc1ccc(N2CC(C)C2)nn1 663805513 409795948 /nfs/dbraw/zinc/79/59/48/409795948.db2.gz IDDORGRGXFMPGV-UHFFFAOYSA-N 0 0 163.224 1.241 10 0 ADAERN CCOCCN(C)c1ccc(C)nn1 663767727 409796262 /nfs/dbraw/zinc/79/62/62/409796262.db2.gz AWBWZDBPNJUNGD-UHFFFAOYSA-N 0 0 195.266 1.258 10 0 ADAERN Cc1nnc([C@H](C)N2CC=CCC2)[nH]1 663693891 409796344 /nfs/dbraw/zinc/79/63/44/409796344.db2.gz AMZADVXGRPBWAR-QMMMGPOBSA-N 0 0 192.266 1.436 10 0 ADAERN Cc1ccc(N2CC=CCC2)nn1 663778283 409796418 /nfs/dbraw/zinc/79/64/18/409796418.db2.gz DBONOTBICLEDFE-UHFFFAOYSA-N 0 0 175.235 1.551 10 0 ADAERN CC(=O)c1ccnc(NCCF)c1 663869914 409796894 /nfs/dbraw/zinc/79/68/94/409796894.db2.gz ICVPGCPPNDFBEO-UHFFFAOYSA-N 0 0 182.198 1.666 10 0 ADAERN Cc1ccc(N2[C@@H](C)C[C@@H]2C)nn1 663859560 409796905 /nfs/dbraw/zinc/79/69/05/409796905.db2.gz ASJSDJUCDWZLMZ-IUCAKERBSA-N 0 0 177.251 1.772 10 0 ADAERN Cc1ccc(N[C@@H]2C[C@H]2C2CC2)nn1 663866248 409796938 /nfs/dbraw/zinc/79/69/38/409796938.db2.gz KCCKELTXALVYIW-VHSXEESVSA-N 0 0 189.262 1.995 10 0 ADAERN CCN(c1cnccn1)[C@H]1CCOC1 663927184 409796986 /nfs/dbraw/zinc/79/69/86/409796986.db2.gz KNRWTEZYKWFAGC-VIFPVBQESA-N 0 0 193.250 1.092 10 0 ADAERN C[C@H]1C[C@H](C)N1c1cnccn1 663859820 409797003 /nfs/dbraw/zinc/79/70/03/409797003.db2.gz BXRKKVGMDWBIPQ-YUMQZZPRSA-N 0 0 163.224 1.464 10 0 ADAERN Cc1cnc(N2[C@@H](C)C[C@@H]2C)nc1 663860950 409797062 /nfs/dbraw/zinc/79/70/62/409797062.db2.gz SAVARLGMOJLNMP-IUCAKERBSA-N 0 0 177.251 1.772 10 0 ADAERN Cc1cc(CO)cc(NCCF)n1 663870672 409797152 /nfs/dbraw/zinc/79/71/52/409797152.db2.gz YBBKPKPYTNPJGC-UHFFFAOYSA-N 0 0 184.214 1.264 10 0 ADAERN CC1(CN2C(=O)CCC2=O)CCC1 663914726 409797185 /nfs/dbraw/zinc/79/71/85/409797185.db2.gz DNPSJFBPGMUDSM-UHFFFAOYSA-N 0 0 181.235 1.326 10 0 ADAERN Cc1ccc(N2CCCCCO2)nn1 663842558 409797276 /nfs/dbraw/zinc/79/72/76/409797276.db2.gz VTSCLDWKQWGLAF-UHFFFAOYSA-N 0 0 193.250 1.707 10 0 ADAERN COC[C@@H](COc1ccccc1)OC 663914541 409797393 /nfs/dbraw/zinc/79/73/93/409797393.db2.gz CGHCYAXNBGPPTQ-NSHDSACASA-N 0 0 196.246 1.727 10 0 ADAERN Cc1cnc(N2[C@@H](C)C[C@H]2C)nc1 663860949 409797368 /nfs/dbraw/zinc/79/73/68/409797368.db2.gz SAVARLGMOJLNMP-DTORHVGOSA-N 0 0 177.251 1.772 10 0 ADAERN Cc1cnc(N2[C@H](C)C[C@H]2C)nc1 663860951 409797494 /nfs/dbraw/zinc/79/74/94/409797494.db2.gz SAVARLGMOJLNMP-RKDXNWHRSA-N 0 0 177.251 1.772 10 0 ADAERN Cc1ccc(N2CCC3(CC3)C2)nn1 663874380 409797554 /nfs/dbraw/zinc/79/75/54/409797554.db2.gz OYJNNWCSLBPCIQ-UHFFFAOYSA-N 0 0 189.262 1.775 10 0 ADAERN CCN(c1cnccn1)[C@@H]1CCOC1 663927183 409797597 /nfs/dbraw/zinc/79/75/97/409797597.db2.gz KNRWTEZYKWFAGC-SECBINFHSA-N 0 0 193.250 1.092 10 0 ADAERN Cc1ccc(N2[C@@H](C)C[C@H]2C)nn1 663859559 409797604 /nfs/dbraw/zinc/79/76/04/409797604.db2.gz ASJSDJUCDWZLMZ-DTORHVGOSA-N 0 0 177.251 1.772 10 0 ADAERN c1cnc(N2CCCCCO2)cn1 663842633 409797625 /nfs/dbraw/zinc/79/76/25/409797625.db2.gz YVHDFWJOOCYPTF-UHFFFAOYSA-N 0 0 179.223 1.399 10 0 ADAERN COC[C@H](COc1ccccc1)OC 663914540 409797746 /nfs/dbraw/zinc/79/77/46/409797746.db2.gz CGHCYAXNBGPPTQ-LLVKDONJSA-N 0 0 196.246 1.727 10 0 ADAERN Cc1cnc(N2CCCCCO2)nc1 663842225 409797757 /nfs/dbraw/zinc/79/77/57/409797757.db2.gz PDBJGEGUTRVKHB-UHFFFAOYSA-N 0 0 193.250 1.707 10 0 ADAERN CCCc1nccnc1NCCF 663870689 409797770 /nfs/dbraw/zinc/79/77/70/409797770.db2.gz YQOIRAZTJLODEE-UHFFFAOYSA-N 0 0 183.230 1.811 10 0 ADAERN OCc1cc(NCCF)ncc1F 663870102 409797781 /nfs/dbraw/zinc/79/77/81/409797781.db2.gz NSVUVZAUUMPXCF-UHFFFAOYSA-N 0 0 188.177 1.094 10 0 ADAERN O=c1ccccn1C[C@H]1C[C@@H]2C[C@@H]2C1 663916098 409797841 /nfs/dbraw/zinc/79/78/41/409797841.db2.gz PIQWTHBQLYRNGN-JGPRNRPPSA-N 0 0 189.258 1.894 10 0 ADAERN Cc1cnc(N2CC(C)(F)C2)nc1 663857440 409797911 /nfs/dbraw/zinc/79/79/11/409797911.db2.gz ICPMZYXORBZWPA-UHFFFAOYSA-N 0 0 181.214 1.333 10 0 ADAERN Cc1cnc(N[C@@H]2[C@H]3CCC[C@H]32)nc1 663854057 409798025 /nfs/dbraw/zinc/79/80/25/409798025.db2.gz RLKXKYLERROFME-MYJAWHEDSA-N 0 0 189.262 1.995 10 0 ADAERN C[C@H]1C[C@@H](C)N1c1cnccn1 663859817 409798118 /nfs/dbraw/zinc/79/81/18/409798118.db2.gz BXRKKVGMDWBIPQ-OCAPTIKFSA-N 0 0 163.224 1.464 10 0 ADAERN CCNc1nccnc1NCCF 663870106 409798258 /nfs/dbraw/zinc/79/82/58/409798258.db2.gz NXTFOZYQZOJLQJ-UHFFFAOYSA-N 0 0 184.218 1.290 10 0 ADAERN CC1(F)CN(c2cnccn2)C1 663857409 409798338 /nfs/dbraw/zinc/79/83/38/409798338.db2.gz HFAWXAMJKKKZBE-UHFFFAOYSA-N 0 0 167.187 1.025 10 0 ADAERN Cc1ccc(N[C@H]2[C@H]3CCC[C@H]32)nn1 663853757 409798399 /nfs/dbraw/zinc/79/83/99/409798399.db2.gz OXZSGRMWAIBPOA-DOFRTFSJSA-N 0 0 189.262 1.995 10 0 ADAERN c1cnc(N2CC(C3CC3)C2)cn1 663927209 409798411 /nfs/dbraw/zinc/79/84/11/409798411.db2.gz LEBXARLOWTTZHZ-UHFFFAOYSA-N 0 0 175.235 1.323 10 0 ADAERN C[C@@H]1C[C@@H](C)N1c1cnccn1 663859814 409798681 /nfs/dbraw/zinc/79/86/81/409798681.db2.gz BXRKKVGMDWBIPQ-HTQZYQBOSA-N 0 0 163.224 1.464 10 0 ADAERN CC(C)COc1ccnnc1 664070129 409812751 /nfs/dbraw/zinc/81/27/51/409812751.db2.gz ZYYLCWPJQSOFSO-UHFFFAOYSA-N 0 0 152.197 1.511 10 0 ADAERN Cc1cnc(N[C@H]2[C@H]3CCC[C@H]32)nc1 663854056 409798754 /nfs/dbraw/zinc/79/87/54/409798754.db2.gz RLKXKYLERROFME-ILWJIGKKSA-N 0 0 189.262 1.995 10 0 ADAERN Cc1ccc(N2CC(C)(F)C2)nn1 663857133 409798764 /nfs/dbraw/zinc/79/87/64/409798764.db2.gz GAZRSVOZRZWCNH-UHFFFAOYSA-N 0 0 181.214 1.333 10 0 ADAERN CC(C)(Nc1cnccn1)C(F)F 663861994 409798782 /nfs/dbraw/zinc/79/87/82/409798782.db2.gz JPROAXLFMITQIB-UHFFFAOYSA-N 0 0 187.193 1.932 10 0 ADAERN Cc1ccc(N2CC(C3CC3)C2)nn1 663926545 409798838 /nfs/dbraw/zinc/79/88/38/409798838.db2.gz CAQOPJRCCIMYKG-UHFFFAOYSA-N 0 0 189.262 1.631 10 0 ADAERN Cc1ccc(N[C@@H]2[C@H]3CCC[C@H]32)nn1 663853915 409798860 /nfs/dbraw/zinc/79/88/60/409798860.db2.gz OXZSGRMWAIBPOA-JZYVYDRUSA-N 0 0 189.262 1.995 10 0 ADAERN Cc1ccc(N2[C@H](C)C[C@H]2C)nn1 663859561 409798939 /nfs/dbraw/zinc/79/89/39/409798939.db2.gz ASJSDJUCDWZLMZ-RKDXNWHRSA-N 0 0 177.251 1.772 10 0 ADAERN CO[C@@H](C)[C@@H](C)NC(=O)[C@H]1C[C@@H]1C 378766436 409798949 /nfs/dbraw/zinc/79/89/49/409798949.db2.gz CWLWXVVBXWMVEU-KZVJFYERSA-N 0 0 185.267 1.182 10 0 ADAERN c1cnc(N[C@H]2[C@H]3CCC[C@H]32)cn1 663853653 409799025 /nfs/dbraw/zinc/79/90/25/409799025.db2.gz NAHGDBUXCFQSQA-DIYOJNKTSA-N 0 0 175.235 1.687 10 0 ADAERN c1cnc(N[C@@H]2[C@H]3CCC[C@H]32)cn1 663853654 409799078 /nfs/dbraw/zinc/79/90/78/409799078.db2.gz NAHGDBUXCFQSQA-MBTKJCJQSA-N 0 0 175.235 1.687 10 0 ADAERN Cc1nocc1CNCc1ccoc1 378757966 409799341 /nfs/dbraw/zinc/79/93/41/409799341.db2.gz UEKRSSQVIIWQJY-UHFFFAOYSA-N 0 0 192.218 1.866 10 0 ADAERN CCc1nsc(N2C[C@H](C)[C@@H]2C)n1 663947048 409799820 /nfs/dbraw/zinc/79/98/20/409799820.db2.gz NTJVGNFRMCHUEK-BQBZGAKWSA-N 0 0 197.307 1.945 10 0 ADAERN Cc1nccc(N2CC[C@H]2C(F)F)n1 663944415 409799891 /nfs/dbraw/zinc/79/98/91/409799891.db2.gz AXWDKBCCCVUGBB-ZETCQYMHSA-N 0 0 199.204 1.629 10 0 ADAERN CCC[C@H](CNCC(F)F)OC 378779436 409799893 /nfs/dbraw/zinc/79/98/93/409799893.db2.gz FGRSJIYHURZRBE-SSDOTTSWSA-N 0 0 181.226 1.656 10 0 ADAERN CC[C@H]1CCN1c1cnccn1 663934127 409799908 /nfs/dbraw/zinc/79/99/08/409799908.db2.gz HJBSDOVVSFTZHQ-QMMMGPOBSA-N 0 0 163.224 1.465 10 0 ADAERN C[C@H]1CN(c2ncncc2Cl)[C@@H]1C 663947447 409799927 /nfs/dbraw/zinc/79/99/27/409799927.db2.gz PGGRFKGKNAPMCJ-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN CCOCC(C)(C)NCc1cocn1 378776137 409800003 /nfs/dbraw/zinc/80/00/03/409800003.db2.gz HNQNCZVPMSTRKQ-UHFFFAOYSA-N 0 0 198.266 1.579 10 0 ADAERN COc1ccnc(N2C[C@H](C)[C@H]2C)n1 663945268 409800007 /nfs/dbraw/zinc/80/00/07/409800007.db2.gz FIWYHYVBEIGONI-JGVFFNPUSA-N 0 0 193.250 1.330 10 0 ADAERN Cc1ccc(N2CC[C@@H]2C2CC2)nn1 663955122 409800027 /nfs/dbraw/zinc/80/00/27/409800027.db2.gz HIUNBYNMPRGBBJ-SNVBAGLBSA-N 0 0 189.262 1.774 10 0 ADAERN Cc1nnc(N2C[C@@H](C)[C@@H]2C)nc1C 663945666 409800037 /nfs/dbraw/zinc/80/00/37/409800037.db2.gz HMHGTLBBUUYLJX-MUWHJKNJSA-N 0 0 192.266 1.333 10 0 ADAERN CCc1nsc(N2C[C@H](C)[C@H]2C)n1 663947049 409800069 /nfs/dbraw/zinc/80/00/69/409800069.db2.gz NTJVGNFRMCHUEK-NKWVEPMBSA-N 0 0 197.307 1.945 10 0 ADAERN c1cn(CC23CCC(CC2)C3)nn1 663960746 409800096 /nfs/dbraw/zinc/80/00/96/409800096.db2.gz TYINLTWQHOTNRU-UHFFFAOYSA-N 0 0 177.251 1.858 10 0 ADAERN FC(F)[C@@H]1CCN1c1cnccn1 663945490 409800169 /nfs/dbraw/zinc/80/01/69/409800169.db2.gz KZWSDVAFUHXZDN-LURJTMIESA-N 0 0 185.177 1.320 10 0 ADAERN Cc1ccc(N2CC[C@H]2C(F)F)nn1 663944385 409800200 /nfs/dbraw/zinc/80/02/00/409800200.db2.gz AFRRYRAOXDTKCI-ZETCQYMHSA-N 0 0 199.204 1.629 10 0 ADAERN C[C@H]1CN(c2ncccn2)[C@H]1C 663946059 409800219 /nfs/dbraw/zinc/80/02/19/409800219.db2.gz JFSGMXPBWANLSP-YUMQZZPRSA-N 0 0 163.224 1.321 10 0 ADAERN FC(F)[C@H]1CCN1c1ncccn1 663945985 409800227 /nfs/dbraw/zinc/80/02/27/409800227.db2.gz PSEFWHZKJUBNFZ-ZCFIWIBFSA-N 0 0 185.177 1.320 10 0 ADAERN Cc1ccc(N2C[C@@H](C)[C@H]2C)nn1 663945929 409800236 /nfs/dbraw/zinc/80/02/36/409800236.db2.gz HXODRYWASVUETB-VXNVDRBHSA-N 0 0 177.251 1.630 10 0 ADAERN C[C@@H]1CN(c2ncc(Cl)cn2)[C@@H]1C 663946102 409800249 /nfs/dbraw/zinc/80/02/49/409800249.db2.gz JQSUBPZLRAEVNW-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1nccc(N2C[C@H](C)[C@@H]2C)n1 663946277 409800295 /nfs/dbraw/zinc/80/02/95/409800295.db2.gz KCALFDBIOFMULP-YUMQZZPRSA-N 0 0 177.251 1.630 10 0 ADAERN Cc1cc(N2C[C@H](C)[C@H]2C)nc(C)n1 663948161 409800370 /nfs/dbraw/zinc/80/03/70/409800370.db2.gz VOBJOPGSCGDUGC-IONNQARKSA-N 0 0 191.278 1.938 10 0 ADAERN CO[C@H](Cn1ccnn1)C1CCCC1 663964545 409800386 /nfs/dbraw/zinc/80/03/86/409800386.db2.gz RXWNGSKJVOEOLZ-SNVBAGLBSA-N 0 0 195.266 1.483 10 0 ADAERN Cc1cnc(N2C[C@H](C)[C@@H]2C)nc1 663947755 409800422 /nfs/dbraw/zinc/80/04/22/409800422.db2.gz RODKZHLODOHIRW-IUCAKERBSA-N 0 0 177.251 1.630 10 0 ADAERN C[C@@H]1CN(c2ncccn2)[C@@H]1C 663946055 409800434 /nfs/dbraw/zinc/80/04/34/409800434.db2.gz JFSGMXPBWANLSP-HTQZYQBOSA-N 0 0 163.224 1.321 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncc(F)cn1 663947763 409800446 /nfs/dbraw/zinc/80/04/46/409800446.db2.gz RTEDPEXCKGEHJL-RQJHMYQMSA-N 0 0 181.214 1.460 10 0 ADAERN Cc1nnc(N2C[C@@H](C)[C@H]2C)nc1C 663945664 409800467 /nfs/dbraw/zinc/80/04/67/409800467.db2.gz HMHGTLBBUUYLJX-HZGVNTEJSA-N 0 0 192.266 1.333 10 0 ADAERN Cc1cc(C)nc(N2C[C@@H](C)[C@@H]2C)n1 663947578 409800478 /nfs/dbraw/zinc/80/04/78/409800478.db2.gz QIQBEIUWZJOMQC-XCBNKYQSSA-N 0 0 191.278 1.938 10 0 ADAERN C[C@H]1CN(c2ncccn2)[C@@H]1C 663946056 409800485 /nfs/dbraw/zinc/80/04/85/409800485.db2.gz JFSGMXPBWANLSP-JGVFFNPUSA-N 0 0 163.224 1.321 10 0 ADAERN Cc1cc(N2C[C@@H](C)[C@H]2C)nc(C)n1 663948162 409800498 /nfs/dbraw/zinc/80/04/98/409800498.db2.gz VOBJOPGSCGDUGC-VXNVDRBHSA-N 0 0 191.278 1.938 10 0 ADAERN CC(F)(F)CNCc1cocn1 378782555 409800510 /nfs/dbraw/zinc/80/05/10/409800510.db2.gz IDEALDHGMVTOQB-UHFFFAOYSA-N 0 0 176.166 1.419 10 0 ADAERN CC[C@@H]1CCN1c1ccc(C)nn1 663935203 409800511 /nfs/dbraw/zinc/80/05/11/409800511.db2.gz WALCBDUYVWWGCY-SECBINFHSA-N 0 0 177.251 1.774 10 0 ADAERN C[C@@H]1CN(c2ncc(F)cn2)[C@@H]1C 663947762 409800518 /nfs/dbraw/zinc/80/05/18/409800518.db2.gz RTEDPEXCKGEHJL-RNFRBKRXSA-N 0 0 181.214 1.460 10 0 ADAERN CCc1cc(N2C[C@H](C)[C@H]2C)ncn1 663945981 409800528 /nfs/dbraw/zinc/80/05/28/409800528.db2.gz IHVZBSVOSXDZEM-DTWKUNHWSA-N 0 0 191.278 1.884 10 0 ADAERN c1cnc(N2CC[C@H]2C2CC2)cn1 663955334 409800537 /nfs/dbraw/zinc/80/05/37/409800537.db2.gz MIKCHQKDOKQUSG-VIFPVBQESA-N 0 0 175.235 1.465 10 0 ADAERN CCc1cc(N2C[C@H](C)[C@@H]2C)ncn1 663945983 409800599 /nfs/dbraw/zinc/80/05/99/409800599.db2.gz IHVZBSVOSXDZEM-IUCAKERBSA-N 0 0 191.278 1.884 10 0 ADAERN COc1ccnc(NCC[C@H](C)F)n1 378791626 409800624 /nfs/dbraw/zinc/80/06/24/409800624.db2.gz NVQNYQNPKNWGBB-ZETCQYMHSA-N 0 0 199.229 1.067 10 0 ADAERN CCc1nsc(N2C[C@@H](C)[C@@H]2C)n1 663947051 409800627 /nfs/dbraw/zinc/80/06/27/409800627.db2.gz NTJVGNFRMCHUEK-RQJHMYQMSA-N 0 0 197.307 1.945 10 0 ADAERN CC[C@H]1CCN1c1ncc(C)cn1 663935495 409800638 /nfs/dbraw/zinc/80/06/38/409800638.db2.gz YPALOTBYFDGSEB-VIFPVBQESA-N 0 0 177.251 1.774 10 0 ADAERN Cc1cnc(N2C[C@@H](C)[C@H]2C)nc1 663947757 409800647 /nfs/dbraw/zinc/80/06/47/409800647.db2.gz RODKZHLODOHIRW-RKDXNWHRSA-N 0 0 177.251 1.630 10 0 ADAERN C[C@H]1CN(c2ncc(Cl)cn2)[C@H]1C 663946100 409800659 /nfs/dbraw/zinc/80/06/59/409800659.db2.gz JQSUBPZLRAEVNW-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1nccc(N2C[C@@H](C)[C@@H]2C)n1 663946273 409800671 /nfs/dbraw/zinc/80/06/71/409800671.db2.gz KCALFDBIOFMULP-SFYZADRCSA-N 0 0 177.251 1.630 10 0 ADAERN COc1ccnc(N2C[C@@H](C)[C@H]2C)n1 663945267 409800687 /nfs/dbraw/zinc/80/06/87/409800687.db2.gz FIWYHYVBEIGONI-HTQZYQBOSA-N 0 0 193.250 1.330 10 0 ADAERN CCc1cc(N2C[C@@H](C)[C@H]2C)ncn1 663945986 409800694 /nfs/dbraw/zinc/80/06/94/409800694.db2.gz IHVZBSVOSXDZEM-RKDXNWHRSA-N 0 0 191.278 1.884 10 0 ADAERN Cc1ccc(NCC[C@@H](C)F)nn1 663941718 409801267 /nfs/dbraw/zinc/80/12/67/409801267.db2.gz PBEAYPZOAHDYTJ-SSDOTTSWSA-N 0 0 183.230 1.945 10 0 ADAERN Cc1cnc(N2CC(C3CC3)C2)nc1 663928463 409800703 /nfs/dbraw/zinc/80/07/03/409800703.db2.gz YQBDFOWJNHSQMW-UHFFFAOYSA-N 0 0 189.262 1.631 10 0 ADAERN COc1ccnc(N2C[C@@H](C)[C@@H]2C)n1 663945269 409800714 /nfs/dbraw/zinc/80/07/14/409800714.db2.gz FIWYHYVBEIGONI-SFYZADRCSA-N 0 0 193.250 1.330 10 0 ADAERN Cc1cnc(N2CC[C@@H]2C(F)F)nc1 663945753 409800734 /nfs/dbraw/zinc/80/07/34/409800734.db2.gz NOROZJYEJZNIJT-SSDOTTSWSA-N 0 0 199.204 1.629 10 0 ADAERN COC[C@H]1CCN1c1ccc(C)nn1 663937914 409800756 /nfs/dbraw/zinc/80/07/56/409800756.db2.gz CPVCLXUXTMWVPW-SECBINFHSA-N 0 0 193.250 1.010 10 0 ADAERN Cc1nnc(N2C[C@H](C)[C@@H]2C)nc1C 663945667 409800771 /nfs/dbraw/zinc/80/07/71/409800771.db2.gz HMHGTLBBUUYLJX-RCOVLWMOSA-N 0 0 192.266 1.333 10 0 ADAERN Cc1cc(C)nc(N2C[C@H](C)[C@H]2C)n1 663947577 409800797 /nfs/dbraw/zinc/80/07/97/409800797.db2.gz QIQBEIUWZJOMQC-OIBJUYFYSA-N 0 0 191.278 1.938 10 0 ADAERN c1cnc(N2CC[C@@H]2C2CC2)cn1 663955333 409800825 /nfs/dbraw/zinc/80/08/25/409800825.db2.gz MIKCHQKDOKQUSG-SECBINFHSA-N 0 0 175.235 1.465 10 0 ADAERN Cc1cc(N2CC[C@@H]2C(F)F)ncn1 663945628 409800835 /nfs/dbraw/zinc/80/08/35/409800835.db2.gz NMGDSPGRAMDSIT-SSDOTTSWSA-N 0 0 199.204 1.629 10 0 ADAERN Cc1cc(N2C[C@H](C)[C@H]2C)ncn1 663944785 409800862 /nfs/dbraw/zinc/80/08/62/409800862.db2.gz AJFVAMMXYWRLAW-IONNQARKSA-N 0 0 177.251 1.630 10 0 ADAERN CCCCNC(=O)[C@@H]1CC[C@H](C)O1 378788685 409800886 /nfs/dbraw/zinc/80/08/86/409800886.db2.gz MJSXVIIDVACEQU-IUCAKERBSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncncc1Cl 663947449 409800906 /nfs/dbraw/zinc/80/09/06/409800906.db2.gz PGGRFKGKNAPMCJ-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN COC[C@H]1CCN1c1ncc(C)cn1 663939631 409800937 /nfs/dbraw/zinc/80/09/37/409800937.db2.gz RQTRARNVOMXCDV-SECBINFHSA-N 0 0 193.250 1.010 10 0 ADAERN CO[C@@H](Cn1ccnn1)C1CCCC1 663964544 409800953 /nfs/dbraw/zinc/80/09/53/409800953.db2.gz RXWNGSKJVOEOLZ-JTQLQIEISA-N 0 0 195.266 1.483 10 0 ADAERN Cc1ccc(N2C[C@H](C)[C@@H]2C)nn1 663945925 409800981 /nfs/dbraw/zinc/80/09/81/409800981.db2.gz HXODRYWASVUETB-CBAPKCEASA-N 0 0 177.251 1.630 10 0 ADAERN CCc1nsc(N2C[C@@H](C)[C@H]2C)n1 663947050 409800998 /nfs/dbraw/zinc/80/09/98/409800998.db2.gz NTJVGNFRMCHUEK-RNFRBKRXSA-N 0 0 197.307 1.945 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncc(Cl)cn1 663946103 409801015 /nfs/dbraw/zinc/80/10/15/409801015.db2.gz JQSUBPZLRAEVNW-RQJHMYQMSA-N 0 0 197.669 1.975 10 0 ADAERN CC[C@@H]1CCN1c1cnccn1 663934126 409801025 /nfs/dbraw/zinc/80/10/25/409801025.db2.gz HJBSDOVVSFTZHQ-MRVPVSSYSA-N 0 0 163.224 1.465 10 0 ADAERN Cc1cc(C)nc(N2C[C@@H](C)[C@H]2C)n1 663947575 409801127 /nfs/dbraw/zinc/80/11/27/409801127.db2.gz QIQBEIUWZJOMQC-GMSGAONNSA-N 0 0 191.278 1.938 10 0 ADAERN Cc1cnc(N2CC[C@H]2C2CC2)nc1 663956343 409801136 /nfs/dbraw/zinc/80/11/36/409801136.db2.gz XSLVASLYBDMQSB-JTQLQIEISA-N 0 0 189.262 1.774 10 0 ADAERN Cc1ccc(N2C[C@@H](C)[C@@H]2C)nn1 663945924 409801146 /nfs/dbraw/zinc/80/11/46/409801146.db2.gz HXODRYWASVUETB-APPZFPTMSA-N 0 0 177.251 1.630 10 0 ADAERN Cc1cnc(N2C[C@@H](C)[C@@H]2C)nc1 663947750 409801155 /nfs/dbraw/zinc/80/11/55/409801155.db2.gz RODKZHLODOHIRW-BDAKNGLRSA-N 0 0 177.251 1.630 10 0 ADAERN Cc1cc(N2CC[C@H]2C(F)F)ncn1 663945629 409801177 /nfs/dbraw/zinc/80/11/77/409801177.db2.gz NMGDSPGRAMDSIT-ZETCQYMHSA-N 0 0 199.204 1.629 10 0 ADAERN Cc1cnc(N2CC[C@@H]2C2CC2)nc1 663956344 409801190 /nfs/dbraw/zinc/80/11/90/409801190.db2.gz XSLVASLYBDMQSB-SNVBAGLBSA-N 0 0 189.262 1.774 10 0 ADAERN C[C@H]1CN(c2ncc(Cl)cn2)[C@@H]1C 663946101 409801223 /nfs/dbraw/zinc/80/12/23/409801223.db2.gz JQSUBPZLRAEVNW-NKWVEPMBSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1cnc(N2C[C@H](C)[C@H]2C)nc1 663947752 409801231 /nfs/dbraw/zinc/80/12/31/409801231.db2.gz RODKZHLODOHIRW-DTWKUNHWSA-N 0 0 177.251 1.630 10 0 ADAERN C[C@H]1[C@H](C)CN1c1cnccn1 663947769 409801236 /nfs/dbraw/zinc/80/12/36/409801236.db2.gz RVLVZRJVJZTGML-SFYZADRCSA-N 0 0 163.224 1.321 10 0 ADAERN C[C@H]1CN(c2cnccn2)[C@H]1C 663947771 409801245 /nfs/dbraw/zinc/80/12/45/409801245.db2.gz RVLVZRJVJZTGML-YUMQZZPRSA-N 0 0 163.224 1.321 10 0 ADAERN Cc1cc(N2C[C@@H](C)[C@H]2C)ncn1 663944786 409801300 /nfs/dbraw/zinc/80/13/00/409801300.db2.gz AJFVAMMXYWRLAW-VXNVDRBHSA-N 0 0 177.251 1.630 10 0 ADAERN Cc1nccc(N2CC[C@@H]2C(F)F)n1 663944414 409801315 /nfs/dbraw/zinc/80/13/15/409801315.db2.gz AXWDKBCCCVUGBB-SSDOTTSWSA-N 0 0 199.204 1.629 10 0 ADAERN C[C@@H]1CN(c2ncncc2Cl)[C@@H]1C 663947448 409801375 /nfs/dbraw/zinc/80/13/75/409801375.db2.gz PGGRFKGKNAPMCJ-RNFRBKRXSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1nnc(N2C[C@H](C)[C@H]2C)nc1C 663945665 409801388 /nfs/dbraw/zinc/80/13/88/409801388.db2.gz HMHGTLBBUUYLJX-IMTBSYHQSA-N 0 0 192.266 1.333 10 0 ADAERN C[C@@H]1CN(c2cnccn2)[C@@H]1C 663947765 409801402 /nfs/dbraw/zinc/80/14/02/409801402.db2.gz RVLVZRJVJZTGML-HTQZYQBOSA-N 0 0 163.224 1.321 10 0 ADAERN Cc1nccc(N2C[C@@H](C)[C@H]2C)n1 663946255 409801415 /nfs/dbraw/zinc/80/14/15/409801415.db2.gz KCALFDBIOFMULP-HTQZYQBOSA-N 0 0 177.251 1.630 10 0 ADAERN CCc1cc(N2C[C@@H](C)[C@@H]2C)ncn1 663945979 409801447 /nfs/dbraw/zinc/80/14/47/409801447.db2.gz IHVZBSVOSXDZEM-BDAKNGLRSA-N 0 0 191.278 1.884 10 0 ADAERN C[C@H]1CN(c2ncc(F)cn2)[C@H]1C 663947758 409801459 /nfs/dbraw/zinc/80/14/59/409801459.db2.gz RTEDPEXCKGEHJL-BQBZGAKWSA-N 0 0 181.214 1.460 10 0 ADAERN CC[C@@H]1CCN1c1ncc(C)cn1 663935494 409801479 /nfs/dbraw/zinc/80/14/79/409801479.db2.gz YPALOTBYFDGSEB-SECBINFHSA-N 0 0 177.251 1.774 10 0 ADAERN Cc1cc(N2C[C@@H](C)[C@@H]2C)ncn1 663944781 409801499 /nfs/dbraw/zinc/80/14/99/409801499.db2.gz AJFVAMMXYWRLAW-APPZFPTMSA-N 0 0 177.251 1.630 10 0 ADAERN C[C@H]1CN(c2ncc(F)cn2)[C@@H]1C 663947760 409801571 /nfs/dbraw/zinc/80/15/71/409801571.db2.gz RTEDPEXCKGEHJL-NKWVEPMBSA-N 0 0 181.214 1.460 10 0 ADAERN FC(F)[C@@H]1CCN1c1ncccn1 663945982 409801584 /nfs/dbraw/zinc/80/15/84/409801584.db2.gz PSEFWHZKJUBNFZ-LURJTMIESA-N 0 0 185.177 1.320 10 0 ADAERN Cc1cc(C)nc(N2C[C@H](C)[C@@H]2C)n1 663947579 409801620 /nfs/dbraw/zinc/80/16/20/409801620.db2.gz QIQBEIUWZJOMQC-XVKPBYJWSA-N 0 0 191.278 1.938 10 0 ADAERN Cc1nccc(N2C[C@H](C)[C@H]2C)n1 663946260 409801671 /nfs/dbraw/zinc/80/16/71/409801671.db2.gz KCALFDBIOFMULP-JGVFFNPUSA-N 0 0 177.251 1.630 10 0 ADAERN Cc1cnc(N2CC[C@H]2C(F)F)nc1 663945755 409801689 /nfs/dbraw/zinc/80/16/89/409801689.db2.gz NOROZJYEJZNIJT-ZETCQYMHSA-N 0 0 199.204 1.629 10 0 ADAERN COc1ccnc(NCC[C@@H](C)F)n1 378791625 409801691 /nfs/dbraw/zinc/80/16/91/409801691.db2.gz NVQNYQNPKNWGBB-SSDOTTSWSA-N 0 0 199.229 1.067 10 0 ADAERN C[C@H]1CN(c2cnccn2)[C@@H]1C 663947767 409801699 /nfs/dbraw/zinc/80/16/99/409801699.db2.gz RVLVZRJVJZTGML-JGVFFNPUSA-N 0 0 163.224 1.321 10 0 ADAERN COC[C@@H]1CCN1c1ccc(C)nn1 663937915 409801712 /nfs/dbraw/zinc/80/17/12/409801712.db2.gz CPVCLXUXTMWVPW-VIFPVBQESA-N 0 0 193.250 1.010 10 0 ADAERN COC[C@@H]1CCN1c1ncc(C)cn1 663939632 409801726 /nfs/dbraw/zinc/80/17/26/409801726.db2.gz RQTRARNVOMXCDV-VIFPVBQESA-N 0 0 193.250 1.010 10 0 ADAERN Cc1cc(N2C[C@H](C)[C@@H]2C)ncn1 663944783 409801736 /nfs/dbraw/zinc/80/17/36/409801736.db2.gz AJFVAMMXYWRLAW-CBAPKCEASA-N 0 0 177.251 1.630 10 0 ADAERN CCC[C@@H](CNCC(F)F)OC 378779438 409801764 /nfs/dbraw/zinc/80/17/64/409801764.db2.gz FGRSJIYHURZRBE-ZETCQYMHSA-N 0 0 181.226 1.656 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ncccn1 663946057 409801771 /nfs/dbraw/zinc/80/17/71/409801771.db2.gz JFSGMXPBWANLSP-SFYZADRCSA-N 0 0 163.224 1.321 10 0 ADAERN CC[C@H]1CCN1c1ccc(C)nn1 663935205 409801779 /nfs/dbraw/zinc/80/17/79/409801779.db2.gz WALCBDUYVWWGCY-VIFPVBQESA-N 0 0 177.251 1.774 10 0 ADAERN C[C@H]1CN(c2ncncc2Cl)[C@H]1C 663947446 409801791 /nfs/dbraw/zinc/80/17/91/409801791.db2.gz PGGRFKGKNAPMCJ-BQBZGAKWSA-N 0 0 197.669 1.975 10 0 ADAERN Cc1ccc(N2C[C@H](C)[C@H]2C)nn1 663945927 409801833 /nfs/dbraw/zinc/80/18/33/409801833.db2.gz HXODRYWASVUETB-IONNQARKSA-N 0 0 177.251 1.630 10 0 ADAERN FC(F)[C@H]1CCN1c1cnccn1 663945495 409801869 /nfs/dbraw/zinc/80/18/69/409801869.db2.gz KZWSDVAFUHXZDN-ZCFIWIBFSA-N 0 0 185.177 1.320 10 0 ADAERN Cc1ccc(NCC[C@H](C)F)nn1 663941719 409801881 /nfs/dbraw/zinc/80/18/81/409801881.db2.gz PBEAYPZOAHDYTJ-ZETCQYMHSA-N 0 0 183.230 1.945 10 0 ADAERN Cc1ccc(N2CC[C@H]2C2CC2)nn1 663955121 409801905 /nfs/dbraw/zinc/80/19/05/409801905.db2.gz HIUNBYNMPRGBBJ-JTQLQIEISA-N 0 0 189.262 1.774 10 0 ADAERN Cc1ccc(N2CC[C@@H]2C(F)F)nn1 663944384 409801912 /nfs/dbraw/zinc/80/19/12/409801912.db2.gz AFRRYRAOXDTKCI-SSDOTTSWSA-N 0 0 199.204 1.629 10 0 ADAERN Cc1cc(N2C[C@H](C)[C@@H]2C)nc(C)n1 663948160 409801941 /nfs/dbraw/zinc/80/19/41/409801941.db2.gz VOBJOPGSCGDUGC-CBAPKCEASA-N 0 0 191.278 1.938 10 0 ADAERN COc1ccnc(N2C[C@H](C)[C@@H]2C)n1 663945270 409801960 /nfs/dbraw/zinc/80/19/60/409801960.db2.gz FIWYHYVBEIGONI-YUMQZZPRSA-N 0 0 193.250 1.330 10 0 ADAERN O=c1ncccn1C[C@H]1C[C@@H]2C[C@@H]2C1 663956555 409801970 /nfs/dbraw/zinc/80/19/70/409801970.db2.gz FUYWAHRPEIDDFO-ILWJIGKKSA-N 0 0 190.246 1.289 10 0 ADAERN Cc1cc(N2C[C@@H](C)[C@@H]2C)nc(C)n1 663948159 409801982 /nfs/dbraw/zinc/80/19/82/409801982.db2.gz VOBJOPGSCGDUGC-APPZFPTMSA-N 0 0 191.278 1.938 10 0 ADAERN Cc1nocc1CNCC(C)(F)F 378852581 409804204 /nfs/dbraw/zinc/80/42/04/409804204.db2.gz HBSNQRCUVFHKMQ-UHFFFAOYSA-N 0 0 190.193 1.728 10 0 ADAERN CO[C@@H](Cn1cc(C)nn1)C1CC1 664083703 409814749 /nfs/dbraw/zinc/81/47/49/409814749.db2.gz ALQQAFLYQUQHGZ-VIFPVBQESA-N 0 0 181.239 1.012 10 0 ADAERN CCC(CC)CN1C(=O)C[C@@H](C)C1=O 663986549 409803235 /nfs/dbraw/zinc/80/32/35/409803235.db2.gz GJQRUBVKAYLARK-MRVPVSSYSA-N 0 0 197.278 1.818 10 0 ADAERN C[C@H]1CC(=O)N(CCC2CCC2)C1=O 663986296 409803318 /nfs/dbraw/zinc/80/33/18/409803318.db2.gz DGQPAKHGWQVVJY-QMMMGPOBSA-N 0 0 195.262 1.572 10 0 ADAERN CC1(CO)CN(c2ncccc2F)C1 663970199 409803381 /nfs/dbraw/zinc/80/33/81/409803381.db2.gz AFAKYSNOJFMHEH-UHFFFAOYSA-N 0 0 196.225 1.039 10 0 ADAERN CO[C@H](Cn1cncn1)C1CCCC1 663974117 409803413 /nfs/dbraw/zinc/80/34/13/409803413.db2.gz JSORMPOULUQQTF-SNVBAGLBSA-N 0 0 195.266 1.483 10 0 ADAERN COC[C@@H](Cn1nc(C)cc1C)OC 663973910 409803463 /nfs/dbraw/zinc/80/34/63/409803463.db2.gz JAETZVBBYZXVIH-SNVBAGLBSA-N 0 0 198.266 1.161 10 0 ADAERN Cc1cnn(Cc2cncs2)c1 663979550 409803550 /nfs/dbraw/zinc/80/35/50/409803550.db2.gz LRCZSJFKQOTXNN-UHFFFAOYSA-N 0 0 179.248 1.696 10 0 ADAERN Cc1nocc1Cn1cccn1 663980807 409803554 /nfs/dbraw/zinc/80/35/54/409803554.db2.gz ZNNFUZXWQWGWFM-UHFFFAOYSA-N 0 0 163.180 1.228 10 0 ADAERN C[C@@H]1CC(=O)N(CCC2CCC2)C1=O 663986295 409803590 /nfs/dbraw/zinc/80/35/90/409803590.db2.gz DGQPAKHGWQVVJY-MRVPVSSYSA-N 0 0 195.262 1.572 10 0 ADAERN FC1(F)C[C@H]1OCCn1cccn1 663978326 409803632 /nfs/dbraw/zinc/80/36/32/409803632.db2.gz HCBKBTIEVYOQKJ-SSDOTTSWSA-N 0 0 188.177 1.307 10 0 ADAERN COC[C@H](Cn1nc(C)cc1C)OC 663973909 409803648 /nfs/dbraw/zinc/80/36/48/409803648.db2.gz JAETZVBBYZXVIH-JTQLQIEISA-N 0 0 198.266 1.161 10 0 ADAERN CC(C)=CCCN1C(=O)C[C@@H](C)C1=O 663986596 409803673 /nfs/dbraw/zinc/80/36/73/409803673.db2.gz HUYJBETZBUPXLX-SECBINFHSA-N 0 0 195.262 1.738 10 0 ADAERN c1ncn(C[C@H]2C[C@@H]3C[C@@H]3C2)n1 663973415 409803678 /nfs/dbraw/zinc/80/36/78/409803678.db2.gz HFBTTWWLELHDFY-AYMMMOKOSA-N 0 0 163.224 1.324 10 0 ADAERN CO[C@@H](Cn1cncn1)C1CCC1 663973920 409803772 /nfs/dbraw/zinc/80/37/72/409803772.db2.gz JGRQTKWAKMMXKS-VIFPVBQESA-N 0 0 181.239 1.093 10 0 ADAERN CO[C@H](Cn1cncn1)C1CCC1 663973919 409803790 /nfs/dbraw/zinc/80/37/90/409803790.db2.gz JGRQTKWAKMMXKS-SECBINFHSA-N 0 0 181.239 1.093 10 0 ADAERN CO[C@@H](Cn1cncn1)C1CCCC1 663974115 409803917 /nfs/dbraw/zinc/80/39/17/409803917.db2.gz JSORMPOULUQQTF-JTQLQIEISA-N 0 0 195.266 1.483 10 0 ADAERN CC(C)=CCCN1C(=O)C[C@H](C)C1=O 663986597 409803955 /nfs/dbraw/zinc/80/39/55/409803955.db2.gz HUYJBETZBUPXLX-VIFPVBQESA-N 0 0 195.262 1.738 10 0 ADAERN CO[C@H](Cn1cccn1)C1CCC1 663980620 409804079 /nfs/dbraw/zinc/80/40/79/409804079.db2.gz XFWAMSZMSPZVEJ-SNVBAGLBSA-N 0 0 180.251 1.698 10 0 ADAERN Cc1nnnn1CC12CCC(CC1)C2 663988567 409804243 /nfs/dbraw/zinc/80/42/43/409804243.db2.gz IRDDSKVXCNFHEG-UHFFFAOYSA-N 0 0 192.266 1.562 10 0 ADAERN CO[C@@H](Cn1cccn1)C1CCC1 663980618 409804334 /nfs/dbraw/zinc/80/43/34/409804334.db2.gz XFWAMSZMSPZVEJ-JTQLQIEISA-N 0 0 180.251 1.698 10 0 ADAERN c1cnn(C[C@H]2C[C@@H]3C[C@@H]3C2)c1 663977984 409804397 /nfs/dbraw/zinc/80/43/97/409804397.db2.gz GHENFBUFKRAUMZ-ILWJIGKKSA-N 0 0 162.236 1.929 10 0 ADAERN Cc1cc(C)n(Cc2conc2C)n1 663973900 409804483 /nfs/dbraw/zinc/80/44/83/409804483.db2.gz IXTKGMHLHYFMJK-UHFFFAOYSA-N 0 0 191.234 1.845 10 0 ADAERN CCC(CC)CN1C(=O)C[C@H](C)C1=O 663986550 409804558 /nfs/dbraw/zinc/80/45/58/409804558.db2.gz GJQRUBVKAYLARK-QMMMGPOBSA-N 0 0 197.278 1.818 10 0 ADAERN FC1(F)C[C@@H]1OCCn1cccn1 663978327 409804614 /nfs/dbraw/zinc/80/46/14/409804614.db2.gz HCBKBTIEVYOQKJ-ZETCQYMHSA-N 0 0 188.177 1.307 10 0 ADAERN c1ncn(CC23CCC(CC2)C3)n1 663975478 409804629 /nfs/dbraw/zinc/80/46/29/409804629.db2.gz QMFJDXPXOGQHNT-UHFFFAOYSA-N 0 0 177.251 1.858 10 0 ADAERN COC[C@H]1CCN1Cc1nccs1 378854213 409805326 /nfs/dbraw/zinc/80/53/26/409805326.db2.gz IOQNMWJNVXOCJT-MRVPVSSYSA-N 0 0 198.291 1.364 10 0 ADAERN O=c1cccnn1C[C@H]1C[C@@H]2C[C@@H]2C1 664018487 409805953 /nfs/dbraw/zinc/80/59/53/409805953.db2.gz YZWOHUGICRFOGD-ILWJIGKKSA-N 0 0 190.246 1.289 10 0 ADAERN Cc1ccc(N[C@H]2CC23CC3)nn1 664032369 409805996 /nfs/dbraw/zinc/80/59/96/409805996.db2.gz MNCHRETYPMFGNX-QMMMGPOBSA-N 0 0 175.235 1.749 10 0 ADAERN COC[C@@H]1CCN1Cc1nccs1 378854214 409806171 /nfs/dbraw/zinc/80/61/71/409806171.db2.gz IOQNMWJNVXOCJT-QMMMGPOBSA-N 0 0 198.291 1.364 10 0 ADAERN Cn1cc(OC[C@H]2C[C@@H]3C[C@@H]3C2)cn1 663996048 409806217 /nfs/dbraw/zinc/80/62/17/409806217.db2.gz WPIXRZAZGYUPNA-ILWJIGKKSA-N 0 0 192.262 1.845 10 0 ADAERN CC(C)(C)C1CN(c2cnccn2)C1 663993470 409806372 /nfs/dbraw/zinc/80/63/72/409806372.db2.gz BDLXYXYODJYHSP-UHFFFAOYSA-N 0 0 191.278 1.959 10 0 ADAERN CCc1ncn(CCCCF)n1 664041059 409806624 /nfs/dbraw/zinc/80/66/24/409806624.db2.gz CRVXAPZEAOVDNR-UHFFFAOYSA-N 0 0 171.219 1.590 10 0 ADAERN COC[C@H](COc1ccncc1)OC 664014682 409806832 /nfs/dbraw/zinc/80/68/32/409806832.db2.gz CCVPIYXUMXBCFM-SNVBAGLBSA-N 0 0 197.234 1.122 10 0 ADAERN Cc1ccc(N[C@H]2C[C@@](C)(O)C2)nn1 664022262 409806915 /nfs/dbraw/zinc/80/69/15/409806915.db2.gz OXXPKWASJMIIIZ-WAAGHKOSSA-N 0 0 193.250 1.110 10 0 ADAERN CCc1ncn(C[C@H]2CCCO2)n1 664041012 409806924 /nfs/dbraw/zinc/80/69/24/409806924.db2.gz AMLBHVGSBNPTOC-MRVPVSSYSA-N 0 0 181.239 1.020 10 0 ADAERN C[C@@H]1CCN(c2ncnn2C)[C@H](C)C1 664032493 409807005 /nfs/dbraw/zinc/80/70/05/409807005.db2.gz IESZSILBNUYRDI-RKDXNWHRSA-N 0 0 194.282 1.440 10 0 ADAERN O=c1cnccn1C[C@H]1C[C@@H]2C[C@@H]2C1 664033266 409807119 /nfs/dbraw/zinc/80/71/19/409807119.db2.gz CXATZYVORKAPJL-ILWJIGKKSA-N 0 0 190.246 1.289 10 0 ADAERN Cc1ccc(N[C@@H]2CC23CC3)nn1 664032367 409807171 /nfs/dbraw/zinc/80/71/71/409807171.db2.gz MNCHRETYPMFGNX-MRVPVSSYSA-N 0 0 175.235 1.749 10 0 ADAERN Cc1nocc1COc1cnn(C)c1 663996113 409807185 /nfs/dbraw/zinc/80/71/85/409807185.db2.gz YCWGNVXFKGYLQW-UHFFFAOYSA-N 0 0 193.206 1.296 10 0 ADAERN CCc1ncn(Cc2cncs2)n1 664041138 409807211 /nfs/dbraw/zinc/80/72/11/409807211.db2.gz FSWLSYUBIAHADA-UHFFFAOYSA-N 0 0 194.263 1.345 10 0 ADAERN Cc1cnc(N[C@@H]2CC23CC3)nc1 664031452 409807256 /nfs/dbraw/zinc/80/72/56/409807256.db2.gz GHGAGJNUOXJOSI-MRVPVSSYSA-N 0 0 175.235 1.749 10 0 ADAERN CCc1ncn(C[C@@H]2CCCO2)n1 664041013 409807262 /nfs/dbraw/zinc/80/72/62/409807262.db2.gz AMLBHVGSBNPTOC-QMMMGPOBSA-N 0 0 181.239 1.020 10 0 ADAERN Cc1cnc(N[C@H]2CC23CC3)nc1 664031622 409807285 /nfs/dbraw/zinc/80/72/85/409807285.db2.gz GHGAGJNUOXJOSI-QMMMGPOBSA-N 0 0 175.235 1.749 10 0 ADAERN COC[C@@H](COc1ccncc1)OC 664014681 409807304 /nfs/dbraw/zinc/80/73/04/409807304.db2.gz CCVPIYXUMXBCFM-JTQLQIEISA-N 0 0 197.234 1.122 10 0 ADAERN CCC(C)(C)CCn1ncn(C)c1=O 663999226 409807489 /nfs/dbraw/zinc/80/74/89/409807489.db2.gz PEJGGLCTWGYKMZ-UHFFFAOYSA-N 0 0 197.282 1.408 10 0 ADAERN c1cnn(OC[C@H]2C[C@@H]3C[C@@H]3C2)c1 664047307 409808757 /nfs/dbraw/zinc/80/87/57/409808757.db2.gz IKLCHYHOWNNYSI-ILWJIGKKSA-N 0 0 178.235 1.358 10 0 ADAERN Cn1ccc(=O)n1CC1=CCCC1 664048038 409808844 /nfs/dbraw/zinc/80/88/44/409808844.db2.gz BXDSJHJAXVSMMA-UHFFFAOYSA-N 0 0 178.235 1.297 10 0 ADAERN CCc1ncn(CCC(C)(C)OC)n1 664041646 409808853 /nfs/dbraw/zinc/80/88/53/409808853.db2.gz RLTVOKWEVNLBBJ-UHFFFAOYSA-N 0 0 197.282 1.656 10 0 ADAERN c1c2c(nn1CC1CC1)CCOC2 664050201 409808861 /nfs/dbraw/zinc/80/88/61/409808861.db2.gz RRHWMLOPLNHMEK-UHFFFAOYSA-N 0 0 178.235 1.366 10 0 ADAERN CCc1ncn(Cc2coc(C)n2)n1 664041377 409808872 /nfs/dbraw/zinc/80/88/72/409808872.db2.gz JIIPQTAZBJYDRQ-UHFFFAOYSA-N 0 0 192.222 1.185 10 0 ADAERN CC(C)CCCn1c(=O)ccn1C 664050500 409808914 /nfs/dbraw/zinc/80/89/14/409808914.db2.gz BIVMRISSLMHAPK-UHFFFAOYSA-N 0 0 182.267 1.623 10 0 ADAERN Cn1ccc(=O)n1CC1CC=CC1 664049131 409808939 /nfs/dbraw/zinc/80/89/39/409808939.db2.gz UDIWARQUSDGUQC-UHFFFAOYSA-N 0 0 178.235 1.153 10 0 ADAERN Cn1ccc(=O)n1CC1CCCCC1 664051211 409811798 /nfs/dbraw/zinc/81/17/98/409811798.db2.gz KGPYGHXBBDCTDV-UHFFFAOYSA-N 0 0 194.278 1.767 10 0 ADAERN CCC(CC)Cn1c(=O)ccn1C 664049442 409809136 /nfs/dbraw/zinc/80/91/36/409809136.db2.gz VDTZFJRIYORYGJ-UHFFFAOYSA-N 0 0 182.267 1.623 10 0 ADAERN CC(C)=CCCn1c(=O)ccn1C 664048310 409809180 /nfs/dbraw/zinc/80/91/80/409809180.db2.gz GPQADZMMUSFGBA-UHFFFAOYSA-N 0 0 180.251 1.543 10 0 ADAERN CO[C@H](COn1cccn1)C1CCC1 664047568 409809196 /nfs/dbraw/zinc/80/91/96/409809196.db2.gz PIBDWOJEZBEOQP-SNVBAGLBSA-N 0 0 196.250 1.127 10 0 ADAERN CC(C)=CCCOn1cccn1 664046825 409809240 /nfs/dbraw/zinc/80/92/40/409809240.db2.gz AMXVSDGSPLOZCW-UHFFFAOYSA-N 0 0 166.224 1.668 10 0 ADAERN CCc1ncn(C[C@@H](OC)C2CC2)n1 664041818 409809253 /nfs/dbraw/zinc/80/92/53/409809253.db2.gz WBFIAEGAYXVLSY-SECBINFHSA-N 0 0 195.266 1.266 10 0 ADAERN COC[C@@H]1CC[N@@H+]1Cc1cccs1 378865481 409809279 /nfs/dbraw/zinc/80/92/79/409809279.db2.gz ZLINXYZYPLKEQR-VIFPVBQESA-N 0 0 197.303 1.969 10 0 ADAERN C1=CCC(COCCc2cn[nH]n2)C1 664046720 409809289 /nfs/dbraw/zinc/80/92/89/409809289.db2.gz NMQHAMGVXCONGW-UHFFFAOYSA-N 0 0 193.250 1.330 10 0 ADAERN CC(C)=CCCOCCc1cn[nH]n1 664046942 409809564 /nfs/dbraw/zinc/80/95/64/409809564.db2.gz TYLDUQAZTKOHEX-UHFFFAOYSA-N 0 0 195.266 1.720 10 0 ADAERN Cn1ccc(=O)n1C[C@H]1C[C@@H]2C[C@@H]2C1 664049133 409809601 /nfs/dbraw/zinc/80/96/01/409809601.db2.gz UJESAGCVQPMXAN-ILWJIGKKSA-N 0 0 192.262 1.233 10 0 ADAERN c1cnn(OC[C@@H]2CC[C@H]3C[C@H]3C2)c1 664047694 409809611 /nfs/dbraw/zinc/80/96/11/409809611.db2.gz RSLLHYLTVJSUEH-OUAUKWLOSA-N 0 0 192.262 1.748 10 0 ADAERN Cn1ccc(=O)n1CCCCCF 664048689 409809627 /nfs/dbraw/zinc/80/96/27/409809627.db2.gz NSMPKMAOOKCQHW-UHFFFAOYSA-N 0 0 186.230 1.327 10 0 ADAERN COC[C@H]1CC[N@@H+]1Cc1cccs1 378865480 409809707 /nfs/dbraw/zinc/80/97/07/409809707.db2.gz ZLINXYZYPLKEQR-SECBINFHSA-N 0 0 197.303 1.969 10 0 ADAERN CC(C)Cn1cc2c(n1)CCOC2 664049850 409809739 /nfs/dbraw/zinc/80/97/39/409809739.db2.gz LJIRULJSTQAQBK-UHFFFAOYSA-N 0 0 180.251 1.612 10 0 ADAERN CC(C)=CCn1c(=O)ccn1C 664048536 409809779 /nfs/dbraw/zinc/80/97/79/409809779.db2.gz LJLCNJVRADZTHL-UHFFFAOYSA-N 0 0 166.224 1.153 10 0 ADAERN CCc1ncn(C[C@H](OC)C2CC2)n1 664041819 409810000 /nfs/dbraw/zinc/81/00/00/409810000.db2.gz WBFIAEGAYXVLSY-VIFPVBQESA-N 0 0 195.266 1.266 10 0 ADAERN CCc1ncn(C[C@H]2C[C@@H]3C[C@@H]3C2)n1 664041561 409810014 /nfs/dbraw/zinc/81/00/14/409810014.db2.gz PGGXIOYUASBVDD-ILWJIGKKSA-N 0 0 191.278 1.887 10 0 ADAERN FCCCCn1cc2c(n1)CCOC2 664048147 409810090 /nfs/dbraw/zinc/81/00/90/409810090.db2.gz ACWHHMSXIKYITL-UHFFFAOYSA-N 0 0 198.241 1.706 10 0 ADAERN CC(C)C[C@@H](C)Cn1c(=O)ccn1C 664048996 409810100 /nfs/dbraw/zinc/81/01/00/409810100.db2.gz RAWWTXQVFXCLIC-SNVBAGLBSA-N 0 0 196.294 1.869 10 0 ADAERN c1c2c(nn1CC1CCC1)CCOC2 664049577 409810127 /nfs/dbraw/zinc/81/01/27/409810127.db2.gz WKEQUKKGHLVTLI-UHFFFAOYSA-N 0 0 192.262 1.756 10 0 ADAERN c1c2c(nn1CCC1CC1)CCOC2 664049359 409810186 /nfs/dbraw/zinc/81/01/86/409810186.db2.gz FTNSHCACWIVPLG-UHFFFAOYSA-N 0 0 192.262 1.756 10 0 ADAERN c1n[nH]nc1CCOCCC1CCC1 664047238 409810207 /nfs/dbraw/zinc/81/02/07/409810207.db2.gz ZQBFEEDHIBTTJK-UHFFFAOYSA-N 0 0 195.266 1.554 10 0 ADAERN Cn1ccc(=O)n1CC1(C)CCC1 664049110 409810229 /nfs/dbraw/zinc/81/02/29/409810229.db2.gz SVAQRHXVMHYGJG-UHFFFAOYSA-N 0 0 180.251 1.377 10 0 ADAERN c1cnn(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 664047693 409810241 /nfs/dbraw/zinc/81/02/41/409810241.db2.gz RSLLHYLTVJSUEH-MXWKQRLJSA-N 0 0 192.262 1.748 10 0 ADAERN CC(C)C[C@H](C)Cn1c(=O)ccn1C 664048994 409810262 /nfs/dbraw/zinc/81/02/62/409810262.db2.gz RAWWTXQVFXCLIC-JTQLQIEISA-N 0 0 196.294 1.869 10 0 ADAERN CCC(CC)COCCc1cn[nH]n1 664046940 409810414 /nfs/dbraw/zinc/81/04/14/409810414.db2.gz TWQZBHRHWIFQMK-UHFFFAOYSA-N 0 0 197.282 1.800 10 0 ADAERN c1cnn(OCCCC2CCC2)c1 664047262 409810434 /nfs/dbraw/zinc/81/04/34/409810434.db2.gz HCKXUCODKCRNKJ-UHFFFAOYSA-N 0 0 180.251 1.892 10 0 ADAERN CC1(COCCc2cn[nH]n2)CCC1 664047170 409810475 /nfs/dbraw/zinc/81/04/75/409810475.db2.gz YLTKNGUQUPDYGJ-UHFFFAOYSA-N 0 0 195.266 1.554 10 0 ADAERN CC(C)=CCn1cc2c(n1)CCOC2 664048895 409810538 /nfs/dbraw/zinc/81/05/38/409810538.db2.gz QJPSSQKTUJFPCD-UHFFFAOYSA-N 0 0 192.262 1.922 10 0 ADAERN Cn1ccc(=O)n1CCCC1CCC1 664049424 409810593 /nfs/dbraw/zinc/81/05/93/409810593.db2.gz UZUSIAYFTBXCJA-UHFFFAOYSA-N 0 0 194.278 1.767 10 0 ADAERN CO[C@@H](COn1cccn1)C1CCC1 664047567 409810620 /nfs/dbraw/zinc/81/06/20/409810620.db2.gz PIBDWOJEZBEOQP-JTQLQIEISA-N 0 0 196.250 1.127 10 0 ADAERN CCc1ncn(CC=C(C)C)n1 664041219 409810691 /nfs/dbraw/zinc/81/06/91/409810691.db2.gz GJKUATZXIXSYEO-UHFFFAOYSA-N 0 0 165.240 1.807 10 0 ADAERN c1cnn(OCC23CCC(CC2)C3)c1 664047817 409810714 /nfs/dbraw/zinc/81/07/14/409810714.db2.gz WKQLRXIVRCWEKN-UHFFFAOYSA-N 0 0 192.262 1.892 10 0 ADAERN Cn1ccc(=O)n1CCC1CCC1 664049718 409810864 /nfs/dbraw/zinc/81/08/64/409810864.db2.gz YWBLGULGNLGNLJ-UHFFFAOYSA-N 0 0 180.251 1.377 10 0 ADAERN c1cc(OC[C@H]2C[C@@H]3C[C@@H]3C2)cnn1 664066377 409811816 /nfs/dbraw/zinc/81/18/16/409811816.db2.gz LDAPIBOHVLEVTC-ILWJIGKKSA-N 0 0 190.246 1.902 10 0 ADAERN CO[C@@H](C)Cn1ncc2ncccc21 664070773 409811844 /nfs/dbraw/zinc/81/18/44/409811844.db2.gz FXFBIYGFTGFQKN-QMMMGPOBSA-N 0 0 191.234 1.466 10 0 ADAERN c1cc(OCCOCC2CC2)cnn1 664068168 409811923 /nfs/dbraw/zinc/81/19/23/409811923.db2.gz JPPGAUDXDBESBP-UHFFFAOYSA-N 0 0 194.234 1.282 10 0 ADAERN COCCCCOc1ccnnc1 664069609 409811934 /nfs/dbraw/zinc/81/19/34/409811934.db2.gz UPNXIODVOGVFMN-UHFFFAOYSA-N 0 0 182.223 1.282 10 0 ADAERN CCCCCn1c(=O)ccn1C 664052417 409812022 /nfs/dbraw/zinc/81/20/22/409812022.db2.gz ZSEBPOYTFJFFIY-UHFFFAOYSA-N 0 0 168.240 1.377 10 0 ADAERN c1cc(OCC[C@H]2CCCO2)cnn1 664068124 409812055 /nfs/dbraw/zinc/81/20/55/409812055.db2.gz IDFCEIQSXYDFGU-SECBINFHSA-N 0 0 194.234 1.425 10 0 ADAERN CC[C@H](C)COc1ccnnc1 664068615 409812066 /nfs/dbraw/zinc/81/20/66/409812066.db2.gz NPEDPPXWOWFHHN-QMMMGPOBSA-N 0 0 166.224 1.902 10 0 ADAERN Cn1ccc(=O)n1CCC(C)(C)C 664051636 409812084 /nfs/dbraw/zinc/81/20/84/409812084.db2.gz QDPLGTMAQDXFHS-UHFFFAOYSA-N 0 0 182.267 1.623 10 0 ADAERN c1cc(OC[C@@H]2CCCOC2)cnn1 664068142 409812143 /nfs/dbraw/zinc/81/21/43/409812143.db2.gz IUTVVTQPBKGWSK-SECBINFHSA-N 0 0 194.234 1.282 10 0 ADAERN CCOCCCOc1ccnnc1 664068353 409812153 /nfs/dbraw/zinc/81/21/53/409812153.db2.gz DODFCPYQELMJJR-UHFFFAOYSA-N 0 0 182.223 1.282 10 0 ADAERN C[C@H]1[C@H](C)C[N@@H+]1CCOC1CCC1 378871615 409812162 /nfs/dbraw/zinc/81/21/62/409812162.db2.gz PAEGFJJHUUQDJA-ZJUUUORDSA-N 0 0 183.295 1.896 10 0 ADAERN c1cc(OC[C@H]2CCCO2)cnn1 664068196 409812171 /nfs/dbraw/zinc/81/21/71/409812171.db2.gz KFCJIPWWHUVRTG-SECBINFHSA-N 0 0 180.207 1.034 10 0 ADAERN c1cc(OCC2CCOCC2)cnn1 664067955 409812176 /nfs/dbraw/zinc/81/21/76/409812176.db2.gz HJRAHQDRRATQFM-UHFFFAOYSA-N 0 0 194.234 1.282 10 0 ADAERN CCCS(=O)(=O)NCC[C@@H](C)F 378867713 409812185 /nfs/dbraw/zinc/81/21/85/409812185.db2.gz FXMBJLFCFOWAGL-SSDOTTSWSA-N 0 0 197.275 1.064 10 0 ADAERN C[C@@H]1C[N@H+](CCOC2CCC2)[C@@H]1C 378871612 409812190 /nfs/dbraw/zinc/81/21/90/409812190.db2.gz PAEGFJJHUUQDJA-NXEZZACHSA-N 0 0 183.295 1.896 10 0 ADAERN COCCCCCn1c(=O)ccn1C 664051198 409812197 /nfs/dbraw/zinc/81/21/97/409812197.db2.gz JWWFQJHYAXPHEL-UHFFFAOYSA-N 0 0 198.266 1.004 10 0 ADAERN c1cc(OC[C@@H]2CCCO2)cnn1 664068197 409812207 /nfs/dbraw/zinc/81/22/07/409812207.db2.gz KFCJIPWWHUVRTG-VIFPVBQESA-N 0 0 180.207 1.034 10 0 ADAERN c1cc(OCC[C@@H]2CCCO2)cnn1 664068125 409812226 /nfs/dbraw/zinc/81/22/26/409812226.db2.gz IDFCEIQSXYDFGU-VIFPVBQESA-N 0 0 194.234 1.425 10 0 ADAERN c1cnc(N2CCC23CCCC3)cn1 664057610 409812253 /nfs/dbraw/zinc/81/22/53/409812253.db2.gz KXMSZCOMLVKRHC-UHFFFAOYSA-N 0 0 189.262 2.000 10 0 ADAERN Cn1ccc(=O)n1CC1CCCC1 664051739 409812309 /nfs/dbraw/zinc/81/23/09/409812309.db2.gz QWCVVZXUMSAAKQ-UHFFFAOYSA-N 0 0 180.251 1.377 10 0 ADAERN OC1(CCOc2ccnnc2)CCC1 664066047 409812437 /nfs/dbraw/zinc/81/24/37/409812437.db2.gz GZCHKNQPOSTDQL-UHFFFAOYSA-N 0 0 194.234 1.161 10 0 ADAERN c1cc(OC[C@H]2CCCOC2)cnn1 664068143 409812468 /nfs/dbraw/zinc/81/24/68/409812468.db2.gz IUTVVTQPBKGWSK-VIFPVBQESA-N 0 0 194.234 1.282 10 0 ADAERN C1=C(COc2ccnnc2)CCC1 664066731 409812496 /nfs/dbraw/zinc/81/24/96/409812496.db2.gz QIBKDMYPYUAFME-UHFFFAOYSA-N 0 0 176.219 1.966 10 0 ADAERN CO[C@@H](COc1ccnnc1)C1CC1 664066388 409812512 /nfs/dbraw/zinc/81/25/12/409812512.db2.gz LMLCBQAWJMCORI-JTQLQIEISA-N 0 0 194.234 1.280 10 0 ADAERN CCCn1cc2c(n1)CCOC2 664052353 409812551 /nfs/dbraw/zinc/81/25/51/409812551.db2.gz XFSROJOARUBTIH-UHFFFAOYSA-N 0 0 166.224 1.366 10 0 ADAERN COC(C)(C)CCOc1ccnnc1 664069117 409812564 /nfs/dbraw/zinc/81/25/64/409812564.db2.gz RAHFAEHBDDPTTK-UHFFFAOYSA-N 0 0 196.250 1.671 10 0 ADAERN CO[C@H](COc1ccnnc1)C1CC1 664066389 409812580 /nfs/dbraw/zinc/81/25/80/409812580.db2.gz LMLCBQAWJMCORI-SNVBAGLBSA-N 0 0 194.234 1.280 10 0 ADAERN c1cc(OCCOC2CCC2)cnn1 664067872 409812587 /nfs/dbraw/zinc/81/25/87/409812587.db2.gz FLCLWGZJNHOHIE-UHFFFAOYSA-N 0 0 194.234 1.425 10 0 ADAERN CC[C@@H](C)Cn1c(=O)ccn1C 664051809 409812630 /nfs/dbraw/zinc/81/26/30/409812630.db2.gz SKYKWZPLXLMTFE-MRVPVSSYSA-N 0 0 168.240 1.233 10 0 ADAERN CC[C@@H](COc1ccnnc1)OC 664070063 409812641 /nfs/dbraw/zinc/81/26/41/409812641.db2.gz XHWATYIENHHXBL-QMMMGPOBSA-N 0 0 182.223 1.280 10 0 ADAERN FCCCCCOc1ccnnc1 664067633 409812744 /nfs/dbraw/zinc/81/27/44/409812744.db2.gz AJCODZRVMVLDPD-UHFFFAOYSA-N 0 0 184.214 1.995 10 0 ADAERN C[C@H]1C[N@H+](CCOC2CCC2)[C@@H]1C 378871614 409812754 /nfs/dbraw/zinc/81/27/54/409812754.db2.gz PAEGFJJHUUQDJA-VHSXEESVSA-N 0 0 183.295 1.896 10 0 ADAERN CC(C)(C)OCCOc1ccnnc1 664069098 409812771 /nfs/dbraw/zinc/81/27/71/409812771.db2.gz QLODOGMSMLRQDJ-UHFFFAOYSA-N 0 0 196.250 1.671 10 0 ADAERN c1cc(OCC2CCC2)cnn1 664066430 409812836 /nfs/dbraw/zinc/81/28/36/409812836.db2.gz MMJIDSYKMGOXJD-UHFFFAOYSA-N 0 0 164.208 1.656 10 0 ADAERN COCCCCCOc1ccnnc1 664070027 409812892 /nfs/dbraw/zinc/81/28/92/409812892.db2.gz WPIZYKHMMCPRMV-UHFFFAOYSA-N 0 0 196.250 1.672 10 0 ADAERN FCCCCOc1ccnnc1 664070076 409812959 /nfs/dbraw/zinc/81/29/59/409812959.db2.gz XZMYXXLPMHIIGG-UHFFFAOYSA-N 0 0 170.187 1.605 10 0 ADAERN COCCCn1ncc2ncccc21 664070557 409813014 /nfs/dbraw/zinc/81/30/14/409813014.db2.gz AFQDAGKKESBGGP-UHFFFAOYSA-N 0 0 191.234 1.468 10 0 ADAERN CC(C)=CCOc1ccnnc1 664068158 409813040 /nfs/dbraw/zinc/81/30/40/409813040.db2.gz JHHVQUYUTPHASC-UHFFFAOYSA-N 0 0 164.208 1.822 10 0 ADAERN CC(C)(O)CCOc1ccnnc1 664067421 409813077 /nfs/dbraw/zinc/81/30/77/409813077.db2.gz ZYAAHKNZSBXHPV-UHFFFAOYSA-N 0 0 182.223 1.016 10 0 ADAERN CO[C@H](C)Cn1ncc2ncccc21 664070772 409813084 /nfs/dbraw/zinc/81/30/84/409813084.db2.gz FXFBIYGFTGFQKN-MRVPVSSYSA-N 0 0 191.234 1.466 10 0 ADAERN CC(C)CCn1c(=O)ccn1C 664050906 409813090 /nfs/dbraw/zinc/81/30/90/409813090.db2.gz GJNVGBAIFRFUND-UHFFFAOYSA-N 0 0 168.240 1.233 10 0 ADAERN c1cc(OC2CCCC2)cnn1 664070018 409813148 /nfs/dbraw/zinc/81/31/48/409813148.db2.gz WJNSVUQHVBULQC-UHFFFAOYSA-N 0 0 164.208 1.798 10 0 ADAERN c1cc(OCC2CC2)cnn1 664068144 409813181 /nfs/dbraw/zinc/81/31/81/409813181.db2.gz IVSKHYYQGZUUNN-UHFFFAOYSA-N 0 0 150.181 1.265 10 0 ADAERN Cn1ccc(=O)n1CCC1CCCC1 664051905 409813218 /nfs/dbraw/zinc/81/32/18/409813218.db2.gz ULJBPSAOFZJDMM-UHFFFAOYSA-N 0 0 194.278 1.767 10 0 ADAERN CC[C@@H](C)COc1ccnnc1 664068614 409813226 /nfs/dbraw/zinc/81/32/26/409813226.db2.gz NPEDPPXWOWFHHN-MRVPVSSYSA-N 0 0 166.224 1.902 10 0 ADAERN CC(C)OCCOc1ccnnc1 664067929 409813235 /nfs/dbraw/zinc/81/32/35/409813235.db2.gz HAPOESUGJZIXRW-UHFFFAOYSA-N 0 0 182.223 1.280 10 0 ADAERN CCOCCn1ncc2ncccc21 664070620 409813441 /nfs/dbraw/zinc/81/34/41/409813441.db2.gz CIPBXTUMXNTFAL-UHFFFAOYSA-N 0 0 191.234 1.468 10 0 ADAERN c1cc(OCCC2CC2)cnn1 664070128 409813304 /nfs/dbraw/zinc/81/33/04/409813304.db2.gz ZWKLVVDFFHMMEF-UHFFFAOYSA-N 0 0 164.208 1.656 10 0 ADAERN COCCn1ncc2ncccc21 664070583 409813317 /nfs/dbraw/zinc/81/33/17/409813317.db2.gz BDUDAQLEDSDJDV-UHFFFAOYSA-N 0 0 177.207 1.078 10 0 ADAERN C[C@H]1C[N@H+](CCOC2CCC2)[C@H]1C 378871613 409813329 /nfs/dbraw/zinc/81/33/29/409813329.db2.gz PAEGFJJHUUQDJA-UWVGGRQHSA-N 0 0 183.295 1.896 10 0 ADAERN CC[C@H](C)Cn1c(=O)ccn1C 664051810 409813371 /nfs/dbraw/zinc/81/33/71/409813371.db2.gz SKYKWZPLXLMTFE-QMMMGPOBSA-N 0 0 168.240 1.233 10 0 ADAERN CC(C)CCOc1ccnnc1 664068131 409813384 /nfs/dbraw/zinc/81/33/84/409813384.db2.gz IMUCCGAQXCWRLU-UHFFFAOYSA-N 0 0 166.224 1.902 10 0 ADAERN C1=CCC(COc2ccnnc2)C1 664065778 409813398 /nfs/dbraw/zinc/81/33/98/409813398.db2.gz AQDAZXYKBSUJDC-UHFFFAOYSA-N 0 0 176.219 1.822 10 0 ADAERN COC1(COc2ccnnc2)CCC1 664069576 409813408 /nfs/dbraw/zinc/81/34/08/409813408.db2.gz TXKUKJIRXAVMMU-UHFFFAOYSA-N 0 0 194.234 1.425 10 0 ADAERN CCCS(=O)(=O)NCC[C@H](C)F 378867714 409813422 /nfs/dbraw/zinc/81/34/22/409813422.db2.gz FXMBJLFCFOWAGL-ZETCQYMHSA-N 0 0 197.275 1.064 10 0 ADAERN Cn1ccc(=O)n1CCOC(C)(C)C 664050618 409813460 /nfs/dbraw/zinc/81/34/60/409813460.db2.gz DQYSYTVNLZVJBL-UHFFFAOYSA-N 0 0 198.266 1.002 10 0 ADAERN COC(C)(C)CCn1c(=O)ccn1C 664051266 409813468 /nfs/dbraw/zinc/81/34/68/409813468.db2.gz LHMRTFIOIVHPLO-UHFFFAOYSA-N 0 0 198.266 1.002 10 0 ADAERN CC[C@H](COc1ccnnc1)OC 664070062 409813477 /nfs/dbraw/zinc/81/34/77/409813477.db2.gz XHWATYIENHHXBL-MRVPVSSYSA-N 0 0 182.223 1.280 10 0 ADAERN Cc1nc(CNC2(C(C)C)CC2)no1 378869212 409813740 /nfs/dbraw/zinc/81/37/40/409813740.db2.gz JKOKSABZDOCJNL-UHFFFAOYSA-N 0 0 195.266 1.656 10 0 ADAERN CO[C@@H](Cn1cc(C)nn1)C1CCC1 664083860 409814294 /nfs/dbraw/zinc/81/42/94/409814294.db2.gz IQYUSPXLWPINIH-JTQLQIEISA-N 0 0 195.266 1.402 10 0 ADAERN Cc1cn(CCC[C@@H]2CCOC2)nn1 664083795 409814338 /nfs/dbraw/zinc/81/43/38/409814338.db2.gz DOUOGFVPDYRIDL-SNVBAGLBSA-N 0 0 195.266 1.403 10 0 ADAERN COCCCSc1nccn1C 379326292 409826000 /nfs/dbraw/zinc/82/60/00/409826000.db2.gz HGDBXCADEYFCJN-UHFFFAOYSA-N 0 0 186.280 1.549 10 0 ADAERN CO[C@H](Cn1cc(C)nn1)C1CC1 664083699 409814446 /nfs/dbraw/zinc/81/44/46/409814446.db2.gz ALQQAFLYQUQHGZ-SECBINFHSA-N 0 0 181.239 1.012 10 0 ADAERN CC[C@H](C)Cn1cc(C)nn1 664083766 409814493 /nfs/dbraw/zinc/81/44/93/409814493.db2.gz CQMJKKPJZJHMOL-ZETCQYMHSA-N 0 0 153.229 1.633 10 0 ADAERN Cc1cn(CCC[C@H]2CCOC2)nn1 664083793 409814514 /nfs/dbraw/zinc/81/45/14/409814514.db2.gz DOUOGFVPDYRIDL-JTQLQIEISA-N 0 0 195.266 1.403 10 0 ADAERN Cc1cn(C[C@H]2C[C@@H]3C[C@@H]3C2)nn1 664084077 409814521 /nfs/dbraw/zinc/81/45/21/409814521.db2.gz MAJVTOVFXLIONO-ILWJIGKKSA-N 0 0 177.251 1.633 10 0 ADAERN Cc1ncn(C[C@H]2CCO[C@H](C)C2)n1 664084173 409814795 /nfs/dbraw/zinc/81/47/95/409814795.db2.gz QXGJQECRGQDSRZ-SCZZXKLOSA-N 0 0 195.266 1.402 10 0 ADAERN CO[C@H](Cn1cc(C)nn1)C1CCC1 664083861 409814634 /nfs/dbraw/zinc/81/46/34/409814634.db2.gz IQYUSPXLWPINIH-SNVBAGLBSA-N 0 0 195.266 1.402 10 0 ADAERN Cc1cn(CCOC2CCC2)nn1 664083750 409814680 /nfs/dbraw/zinc/81/46/80/409814680.db2.gz CAMJDEQLEIPMLH-UHFFFAOYSA-N 0 0 181.239 1.156 10 0 ADAERN CC[C@@H](C)Cn1cc(C)nn1 664083762 409814740 /nfs/dbraw/zinc/81/47/40/409814740.db2.gz CQMJKKPJZJHMOL-SSDOTTSWSA-N 0 0 153.229 1.633 10 0 ADAERN CCOCCCn1cnc(C)n1 664081927 409814808 /nfs/dbraw/zinc/81/48/08/409814808.db2.gz DUOVVIXTRSIRPH-UHFFFAOYSA-N 0 0 169.228 1.013 10 0 ADAERN Cc1cn(CC2CCC2)nn1 664083826 409815131 /nfs/dbraw/zinc/81/51/31/409815131.db2.gz HPRIHSNZBGZQCV-UHFFFAOYSA-N 0 0 151.213 1.387 10 0 ADAERN COCCCCn1cnc(C)n1 664083086 409814913 /nfs/dbraw/zinc/81/49/13/409814913.db2.gz GYJFCKBDUKZXRV-UHFFFAOYSA-N 0 0 169.228 1.013 10 0 ADAERN CCCN(C)C(=O)NCC[C@@H](C)F 378873319 409814980 /nfs/dbraw/zinc/81/49/80/409814980.db2.gz UATNPPZNNRXGTI-MRVPVSSYSA-N 0 0 190.262 1.786 10 0 ADAERN CO[C@H](CC(C)C)Cn1cc(C)nn1 664083810 409815067 /nfs/dbraw/zinc/81/50/67/409815067.db2.gz FVWTUKKFSAUEHS-SNVBAGLBSA-N 0 0 197.282 1.648 10 0 ADAERN Cc1cn(CC[C@H]2CCCO2)nn1 664083774 409815299 /nfs/dbraw/zinc/81/52/99/409815299.db2.gz CUBLYYYIPJADCM-SECBINFHSA-N 0 0 181.239 1.156 10 0 ADAERN Cc1cn(CC[C@@H]2CCCO2)nn1 664083775 409815330 /nfs/dbraw/zinc/81/53/30/409815330.db2.gz CUBLYYYIPJADCM-VIFPVBQESA-N 0 0 181.239 1.156 10 0 ADAERN c1cnnc(N2C[C@@H]3CCCC[C@@H]32)c1 664082851 409815610 /nfs/dbraw/zinc/81/56/10/409815610.db2.gz KPPLWRCSMCBINA-UWVGGRQHSA-N 0 0 189.262 1.855 10 0 ADAERN FC1(F)CC12CN(c1cnccn1)C2 664075206 409815779 /nfs/dbraw/zinc/81/57/79/409815779.db2.gz SBVOBKHHMXGEDS-UHFFFAOYSA-N 0 0 197.188 1.322 10 0 ADAERN Cc1ncn(C[C@@H]2CCO[C@H](C)C2)n1 664084172 409815849 /nfs/dbraw/zinc/81/58/49/409815849.db2.gz QXGJQECRGQDSRZ-PSASIEDQSA-N 0 0 195.266 1.402 10 0 ADAERN CO[C@@H](CC(C)C)Cn1cc(C)nn1 664083809 409815859 /nfs/dbraw/zinc/81/58/59/409815859.db2.gz FVWTUKKFSAUEHS-JTQLQIEISA-N 0 0 197.282 1.648 10 0 ADAERN Cc1ncn(C[C@@H]2CCO[C@@H](C)C2)n1 664084174 409816008 /nfs/dbraw/zinc/81/60/08/409816008.db2.gz QXGJQECRGQDSRZ-WCBMZHEXSA-N 0 0 195.266 1.402 10 0 ADAERN CCCN(C)C(=O)NCC[C@H](C)F 378873320 409816847 /nfs/dbraw/zinc/81/68/47/409816847.db2.gz UATNPPZNNRXGTI-QMMMGPOBSA-N 0 0 190.262 1.786 10 0 ADAERN CO[C@@H](Cn1cnc(C)n1)C1CCC1 664084981 409817073 /nfs/dbraw/zinc/81/70/73/409817073.db2.gz HAWDGRNMPIZJHG-JTQLQIEISA-N 0 0 195.266 1.402 10 0 ADAERN Cc1ncn(Cc2cnccc2C)n1 664085054 409817193 /nfs/dbraw/zinc/81/71/93/409817193.db2.gz JVVBVFFGHCDBFK-UHFFFAOYSA-N 0 0 188.234 1.338 10 0 ADAERN C[C@@H]1CC[C@@H](n2cc(CO)nn2)C1 664087099 409817311 /nfs/dbraw/zinc/81/73/11/409817311.db2.gz RRKUFZXOGZTRRX-VXNVDRBHSA-N 0 0 181.239 1.132 10 0 ADAERN CO[C@@H](Cn1cnc(C)n1)C1CC1 664085350 409818040 /nfs/dbraw/zinc/81/80/40/409818040.db2.gz NQZWRIYLZNTZNS-VIFPVBQESA-N 0 0 181.239 1.012 10 0 ADAERN C[C@H]1CC[C@@H](n2cc(CO)nn2)C1 664087098 409817328 /nfs/dbraw/zinc/81/73/28/409817328.db2.gz RRKUFZXOGZTRRX-IONNQARKSA-N 0 0 181.239 1.132 10 0 ADAERN COCCCCCn1cc(C)nn1 664084907 409817401 /nfs/dbraw/zinc/81/74/01/409817401.db2.gz BSRMYPUCDFHTHV-UHFFFAOYSA-N 0 0 183.255 1.403 10 0 ADAERN Cc1cn(C[C@@H]2CCO[C@H](C)C2)nn1 664084371 409817507 /nfs/dbraw/zinc/81/75/07/409817507.db2.gz UGLWSGQBHUMRGE-NXEZZACHSA-N 0 0 195.266 1.402 10 0 ADAERN Cc1ncn(C[C@H]2CCO[C@@H](C)C2)n1 664084175 409818086 /nfs/dbraw/zinc/81/80/86/409818086.db2.gz QXGJQECRGQDSRZ-WPRPVWTQSA-N 0 0 195.266 1.402 10 0 ADAERN Cc1ncn(CCC[C@H]2CCOC2)n1 664085241 409817704 /nfs/dbraw/zinc/81/77/04/409817704.db2.gz MKFIIZGAQXHSQX-JTQLQIEISA-N 0 0 195.266 1.403 10 0 ADAERN CC(C)=CCCn1cnc(C)n1 664084723 409817719 /nfs/dbraw/zinc/81/77/19/409817719.db2.gz BNVZKRMGZFYFGH-UHFFFAOYSA-N 0 0 165.240 1.943 10 0 ADAERN Cc1ncn(CCC[C@@H]2CCOC2)n1 664085242 409817728 /nfs/dbraw/zinc/81/77/28/409817728.db2.gz MKFIIZGAQXHSQX-SNVBAGLBSA-N 0 0 195.266 1.403 10 0 ADAERN C[C@H]1CC[C@H](n2cc(CO)nn2)C1 664087097 409817762 /nfs/dbraw/zinc/81/77/62/409817762.db2.gz RRKUFZXOGZTRRX-CBAPKCEASA-N 0 0 181.239 1.132 10 0 ADAERN Cc1cn(C[C@H]2CCO[C@@H](C)C2)nn1 664084373 409817803 /nfs/dbraw/zinc/81/78/03/409817803.db2.gz UGLWSGQBHUMRGE-UWVGGRQHSA-N 0 0 195.266 1.402 10 0 ADAERN CO[C@H](Cn1cnc(C)n1)C1CC1 664085346 409817877 /nfs/dbraw/zinc/81/78/77/409817877.db2.gz NQZWRIYLZNTZNS-SECBINFHSA-N 0 0 181.239 1.012 10 0 ADAERN C[C@@H]1CC[C@H](n2cc(CO)nn2)C1 664087096 409817885 /nfs/dbraw/zinc/81/78/85/409817885.db2.gz RRKUFZXOGZTRRX-APPZFPTMSA-N 0 0 181.239 1.132 10 0 ADAERN Cc1ncn(CC2=CCCC2)n1 664084815 409817976 /nfs/dbraw/zinc/81/79/76/409817976.db2.gz DZMAGWIDIUVLLV-UHFFFAOYSA-N 0 0 163.224 1.697 10 0 ADAERN Cc1ncn(C[C@H]2C[C@@H]3C[C@@H]3C2)n1 664086831 409817986 /nfs/dbraw/zinc/81/79/86/409817986.db2.gz ZHZOBTRDOVYPNA-ILWJIGKKSA-N 0 0 177.251 1.633 10 0 ADAERN CCC(C)(C)CCn1cc(CO)nn1 664087310 409818046 /nfs/dbraw/zinc/81/80/46/409818046.db2.gz VVHDEFPFVAOXCQ-UHFFFAOYSA-N 0 0 197.282 1.597 10 0 ADAERN Cc1cn(C[C@H]2CCO[C@H](C)C2)nn1 664084375 409818070 /nfs/dbraw/zinc/81/80/70/409818070.db2.gz UGLWSGQBHUMRGE-ZJUUUORDSA-N 0 0 195.266 1.402 10 0 ADAERN Cc1ncn(CC[C@H]2CCCCO2)n1 664084553 409818077 /nfs/dbraw/zinc/81/80/77/409818077.db2.gz XBKHBFCRHXVNNN-SNVBAGLBSA-N 0 0 195.266 1.546 10 0 ADAERN Cc1cn(C[C@@H]2CCO[C@@H](C)C2)nn1 664084374 409818326 /nfs/dbraw/zinc/81/83/26/409818326.db2.gz UGLWSGQBHUMRGE-VHSXEESVSA-N 0 0 195.266 1.402 10 0 ADAERN CO[C@H](Cn1cnc(C)n1)C1CCC1 664084982 409818344 /nfs/dbraw/zinc/81/83/44/409818344.db2.gz HAWDGRNMPIZJHG-SNVBAGLBSA-N 0 0 195.266 1.402 10 0 ADAERN Cc1ncn(CC[C@@H]2CCCCO2)n1 664084551 409818426 /nfs/dbraw/zinc/81/84/26/409818426.db2.gz XBKHBFCRHXVNNN-JTQLQIEISA-N 0 0 195.266 1.546 10 0 ADAERN CC(C)=CCCn1nc(C)n(C)c1=O 664105130 409819031 /nfs/dbraw/zinc/81/90/31/409819031.db2.gz OSPHDEPLDGAKRX-UHFFFAOYSA-N 0 0 195.266 1.247 10 0 ADAERN CCn1ncc(C(F)(F)F)cc1=O 664142066 409819882 /nfs/dbraw/zinc/81/98/82/409819882.db2.gz GBGYPCBCAVHZSP-UHFFFAOYSA-N 0 0 192.140 1.282 10 0 ADAERN OCCOc1ccc(OC2CC2)cc1 664128034 409819129 /nfs/dbraw/zinc/81/91/29/409819129.db2.gz ZDJRODSUOGJKMA-UHFFFAOYSA-N 0 0 194.230 1.599 10 0 ADAERN CCc1cnn(C[C@@H](COC)OC)c1 664104664 409819259 /nfs/dbraw/zinc/81/92/59/409819259.db2.gz GXQRDQBGZBBLBW-JTQLQIEISA-N 0 0 198.266 1.107 10 0 ADAERN CCc1cnn(C[C@H](COC)OC)c1 664104665 409819975 /nfs/dbraw/zinc/81/99/75/409819975.db2.gz GXQRDQBGZBBLBW-SNVBAGLBSA-N 0 0 198.266 1.107 10 0 ADAERN CC(C)c1ncn(C[C@H]2CCCO2)n1 664106436 409819602 /nfs/dbraw/zinc/81/96/02/409819602.db2.gz DSKWXVSDRGJTHK-SECBINFHSA-N 0 0 195.266 1.581 10 0 ADAERN Cc1nn(CCC2CCC2)c(=O)n1C 664104446 409820071 /nfs/dbraw/zinc/82/00/71/409820071.db2.gz BZTKXQLSOMARDE-UHFFFAOYSA-N 0 0 195.266 1.080 10 0 ADAERN CCc1cnn(Cc2cncs2)c1 664105175 409820082 /nfs/dbraw/zinc/82/00/82/409820082.db2.gz PYYSWQFHCXEZKD-UHFFFAOYSA-N 0 0 193.275 1.950 10 0 ADAERN COCCCn1nnc2c1CCCC2 664139488 409820168 /nfs/dbraw/zinc/82/01/68/409820168.db2.gz DYLRGTMDINKJRB-UHFFFAOYSA-N 0 0 195.266 1.193 10 0 ADAERN CC(C)c1ncn(C[C@@H]2CCCO2)n1 664106437 409820187 /nfs/dbraw/zinc/82/01/87/409820187.db2.gz DSKWXVSDRGJTHK-VIFPVBQESA-N 0 0 195.266 1.581 10 0 ADAERN CCOCCCn1cc(C2CC2)nn1 664121375 409820268 /nfs/dbraw/zinc/82/02/68/409820268.db2.gz BPDLGHZNQXNIDB-UHFFFAOYSA-N 0 0 195.266 1.582 10 0 ADAERN OCCOc1cccc(OC2CC2)c1 664133671 409820559 /nfs/dbraw/zinc/82/05/59/409820559.db2.gz CNHKTRUAZSWJCF-UHFFFAOYSA-N 0 0 194.230 1.599 10 0 ADAERN FCCCCn1nnc2c1CCCC2 664140620 409820323 /nfs/dbraw/zinc/82/03/23/409820323.db2.gz GGJGMJZUCMLHBO-UHFFFAOYSA-N 0 0 197.257 1.907 10 0 ADAERN CC(C)c1ncn(Cc2ccno2)n1 664106403 409820343 /nfs/dbraw/zinc/82/03/43/409820343.db2.gz NBIWIBNVUOBBIQ-UHFFFAOYSA-N 0 0 192.222 1.438 10 0 ADAERN CN1C(=O)CC(C2CCCC2)CC1=O 664137241 409820481 /nfs/dbraw/zinc/82/04/81/409820481.db2.gz NGOFXEDZYWBMNM-UHFFFAOYSA-N 0 0 195.262 1.572 10 0 ADAERN COCCCn1cnc(C(C)C)n1 664106438 409820506 /nfs/dbraw/zinc/82/05/06/409820506.db2.gz DVDCORYAAHACDW-UHFFFAOYSA-N 0 0 183.255 1.438 10 0 ADAERN CCC(CC)Cn1nc(C)n(C)c1=O 664103127 409820590 /nfs/dbraw/zinc/82/05/90/409820590.db2.gz SAUJFDSABFSBEW-UHFFFAOYSA-N 0 0 197.282 1.326 10 0 ADAERN CCc1cnn(Cc2conc2C)c1 664104590 409820650 /nfs/dbraw/zinc/82/06/50/409820650.db2.gz DSGCGMKMFRJTDC-UHFFFAOYSA-N 0 0 191.234 1.790 10 0 ADAERN CN(C)C(=O)NCCCCF 379233854 409820658 /nfs/dbraw/zinc/82/06/58/409820658.db2.gz QRHFJPMKNOLNAR-UHFFFAOYSA-N 0 0 162.208 1.007 10 0 ADAERN COCCCCn1cnc(C(C)C)n1 664106237 409820705 /nfs/dbraw/zinc/82/07/05/409820705.db2.gz DFXMGLWANLAGQH-UHFFFAOYSA-N 0 0 197.282 1.828 10 0 ADAERN Cc1nnc([C@H](C)N2[C@@H](C)C[C@@H]2C)[nH]1 664229269 409822378 /nfs/dbraw/zinc/82/23/78/409822378.db2.gz GJCVUDYYQVDYJN-FXQIFTODSA-N 0 0 194.282 1.657 10 0 ADAERN CCCn1ccc2nccnc2c1=O 664142826 409820897 /nfs/dbraw/zinc/82/08/97/409820897.db2.gz LUZFKZWFMPWLNX-UHFFFAOYSA-N 0 0 189.218 1.202 10 0 ADAERN COCCCn1cc(C2CC2)nn1 664121715 409820920 /nfs/dbraw/zinc/82/09/20/409820920.db2.gz HSQYYWNHWUSWJD-UHFFFAOYSA-N 0 0 181.239 1.192 10 0 ADAERN Cc1nnc([C@H](C)N2[C@H](C)C[C@H]2C)[nH]1 664229272 409822400 /nfs/dbraw/zinc/82/24/00/409822400.db2.gz GJCVUDYYQVDYJN-PRJMDXOYSA-N 0 0 194.282 1.657 10 0 ADAERN OC[C@@H](Nc1ncccn1)C1CCC1 664173072 409821991 /nfs/dbraw/zinc/82/19/91/409821991.db2.gz JQVGKJDPVYPCOK-SECBINFHSA-N 0 0 193.250 1.050 10 0 ADAERN OC[C@H](Nc1ccccn1)C1CCC1 664171493 409822014 /nfs/dbraw/zinc/82/20/14/409822014.db2.gz QUUYFSUGCCSDOV-JTQLQIEISA-N 0 0 192.262 1.655 10 0 ADAERN OC[C@H](Nc1cccnn1)C1CCC1 664172647 409822176 /nfs/dbraw/zinc/82/21/76/409822176.db2.gz HRPWMRPDBKAUDJ-VIFPVBQESA-N 0 0 193.250 1.050 10 0 ADAERN OC[C@H](Nc1cnccn1)C1CCC1 664175177 409822456 /nfs/dbraw/zinc/82/24/56/409822456.db2.gz XORQTGPDZWSDRR-VIFPVBQESA-N 0 0 193.250 1.050 10 0 ADAERN OC[C@@H](Nc1cnccn1)C1CCC1 664175176 409822528 /nfs/dbraw/zinc/82/25/28/409822528.db2.gz XORQTGPDZWSDRR-SECBINFHSA-N 0 0 193.250 1.050 10 0 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403327171 410037676 /nfs/dbraw/zinc/03/76/76/410037676.db2.gz AQCFFDNYFJWUGZ-OPRDCNLKSA-N 0 0 189.262 2.077 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 403181780 410037792 /nfs/dbraw/zinc/03/77/92/410037792.db2.gz RIIGZCMRPJIICO-ZYUZMQFOSA-N 0 0 197.278 1.326 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403181779 410037849 /nfs/dbraw/zinc/03/78/49/410037849.db2.gz RIIGZCMRPJIICO-XFWSIPNHSA-N 0 0 197.278 1.326 10 0 ADAERN CC(C)(O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 403588540 410038600 /nfs/dbraw/zinc/03/86/00/410038600.db2.gz DLTXIBKNRVNINA-IWSPIJDZSA-N 0 0 197.278 1.062 10 0 ADAERN c1cnnc(N[C@@H]2CC[C@H]3C[C@H]3C2)c1 403336539 410038628 /nfs/dbraw/zinc/03/86/28/410038628.db2.gz FIMJPNDKOYUUTC-LPEHRKFASA-N 0 0 189.262 2.077 10 0 ADAERN c1cnnc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 403336541 410038635 /nfs/dbraw/zinc/03/86/35/410038635.db2.gz FIMJPNDKOYUUTC-OPRDCNLKSA-N 0 0 189.262 2.077 10 0 ADAERN CC(C)(O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 403588541 410038705 /nfs/dbraw/zinc/03/87/05/410038705.db2.gz DLTXIBKNRVNINA-XHNCKOQMSA-N 0 0 197.278 1.062 10 0 ADAERN CNc1nccc2ccncc12 409423763 410044741 /nfs/dbraw/zinc/04/47/41/410044741.db2.gz CXHCRCSIVQDZKV-UHFFFAOYSA-N 0 0 159.192 1.672 10 0 ADAERN CCOc1cnc(C2CC2)nc1NC 409427649 410046060 /nfs/dbraw/zinc/04/60/60/410046060.db2.gz WXCZOAMECQEFHG-UHFFFAOYSA-N 0 0 193.250 1.794 10 0 ADAERN CCOc1cnc(C2CC2)nc1N 409425778 410046207 /nfs/dbraw/zinc/04/62/07/410046207.db2.gz MWJPDWYWSNCQFG-UHFFFAOYSA-N 0 0 179.223 1.335 10 0 ADAERN COc1cc(N)c2c(c1)OCCO2 514264268 410047345 /nfs/dbraw/zinc/04/73/45/410047345.db2.gz PLRAPBOURQZXLD-UHFFFAOYSA-N 0 0 181.191 1.049 10 0 ADAERN Fc1ccc(NCC2COC2)nc1 528227379 410049484 /nfs/dbraw/zinc/04/94/84/410049484.db2.gz PTIRVFNHPALIAJ-UHFFFAOYSA-N 0 0 182.198 1.279 10 0 ADAERN Nc1n[nH]c(CO)c1-c1ccccc1 536953792 410051041 /nfs/dbraw/zinc/05/10/41/410051041.db2.gz JHEAOWGICHMUPG-UHFFFAOYSA-N 0 0 189.218 1.151 10 0 ADAERN COC(=O)c1ccc(N)nc1C1CC1 575433799 410052057 /nfs/dbraw/zinc/05/20/57/410052057.db2.gz KDVZOMVVYLJTCN-UHFFFAOYSA-N 0 0 192.218 1.328 10 0 ADAERN CN1CC[NH+](Cc2ccccc2)CC1 575180031 410052283 /nfs/dbraw/zinc/05/22/83/410052283.db2.gz RCFOIDHXTYVISK-UHFFFAOYSA-N 0 0 189.282 1.089 10 0 ADAERN c1ccc(N2CCOCC2)cc1 575140009 410052294 /nfs/dbraw/zinc/05/22/94/410052294.db2.gz GFIPHLPVYHSDQS-UHFFFAOYSA-N 0 0 162.212 1.132 10 0 ADAERN Cc1ccc(F)cn1 575180658 410052367 /nfs/dbraw/zinc/05/23/67/410052367.db2.gz AWQYNZXYHHSRTH-UHFFFAOYSA-N 0 0 110.111 1.631 10 0 ADAERN Clc1ncnc2c1=S=CC=2 575141548 410052411 /nfs/dbraw/zinc/05/24/11/410052411.db2.gz VVDXAURVUGLNHB-UHFFFAOYSA-N 0 0 170.624 1.616 10 0 ADAERN c1ccc(CN2CCOCC2)cc1 575180029 410052477 /nfs/dbraw/zinc/05/24/77/410052477.db2.gz FKMVQMWEVZJLIV-UHFFFAOYSA-N 0 0 176.239 1.174 10 0 ADAERN c1ccc2[nH]ccc2c1 575150282 410052496 /nfs/dbraw/zinc/05/24/96/410052496.db2.gz ZXBXOIOPKLAAGF-UHFFFAOYSA-N 0 0 116.143 1.287 10 0 ADAERN Cc1c[nH]c(Cn2cccc2)n1 575449629 410053102 /nfs/dbraw/zinc/05/31/02/410053102.db2.gz HDXAUQSTZGKCFU-UHFFFAOYSA-N 0 0 161.208 1.568 10 0 ADAERN C1=C(CNc2cnns2)CSC1 575449650 410053129 /nfs/dbraw/zinc/05/31/29/410053129.db2.gz KOHCAXUETMVOEL-UHFFFAOYSA-N 0 0 199.304 1.623 10 0 ADAERN Nc1cc(Cc2cncs2)ccn1 575451259 410053185 /nfs/dbraw/zinc/05/31/85/410053185.db2.gz ZTGKKQASPYXMFH-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN Nc1noc([C@@H]2CCCSCC2)n1 575453824 410053204 /nfs/dbraw/zinc/05/32/04/410053204.db2.gz NJQMKLFOLGBADL-ZCFIWIBFSA-N 0 0 199.279 1.653 10 0 ADAERN O=C1CCO[C@H](CC(F)(F)F)C1 575449603 410053325 /nfs/dbraw/zinc/05/33/25/410053325.db2.gz GWWZCQQBVMITAU-LURJTMIESA-N 0 0 182.141 1.687 10 0 ADAERN CC(C)c1[nH]nc(N)c1F 575451351 410053380 /nfs/dbraw/zinc/05/33/80/410053380.db2.gz IQVLXRPDPVYBDN-UHFFFAOYSA-N 0 0 143.165 1.254 10 0 ADAERN Cc1nc(N)ncc1C1CCCC1 575451852 410053473 /nfs/dbraw/zinc/05/34/73/410053473.db2.gz NNGOXWZPBJSVGA-UHFFFAOYSA-N 0 0 177.251 2.025 10 0 ADAERN O=C1CCO[C@@H](CC(F)(F)F)C1 575449609 410053568 /nfs/dbraw/zinc/05/35/68/410053568.db2.gz GWWZCQQBVMITAU-ZCFIWIBFSA-N 0 0 182.141 1.687 10 0 ADAERN Cn1cnc(-c2cccc(N)n2)c1 575449611 410053674 /nfs/dbraw/zinc/05/36/74/410053674.db2.gz FLXWLVQNXGMCAZ-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN Nc1ncc(-c2ccc(F)cn2)s1 575451339 410053686 /nfs/dbraw/zinc/05/36/86/410053686.db2.gz FDNCTMQFXRDEAJ-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN Cc1nc(N)ncc1[C@@H]1CCCO1 575453159 410053907 /nfs/dbraw/zinc/05/39/07/410053907.db2.gz GKQCTSINKTUXET-QMMMGPOBSA-N 0 0 179.223 1.219 10 0 ADAERN Cc1ncsc1-c1cnc(N)s1 575449641 410053930 /nfs/dbraw/zinc/05/39/30/410053930.db2.gz JUSYZSKMCKJOTA-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 ADAERN Cc1nc(N)ncc1[C@H]1CCCO1 575453155 410053997 /nfs/dbraw/zinc/05/39/97/410053997.db2.gz GKQCTSINKTUXET-MRVPVSSYSA-N 0 0 179.223 1.219 10 0 ADAERN CCc1nnc(N)c2ccccc12 575450561 410054012 /nfs/dbraw/zinc/05/40/12/410054012.db2.gz HUPMDRXFIAQCGE-UHFFFAOYSA-N 0 0 173.219 1.774 10 0 ADAERN Nc1nc2c3c(ccc2s1)OCC3 575452019 410054078 /nfs/dbraw/zinc/05/40/78/410054078.db2.gz BMZVHJFNMFGPDR-UHFFFAOYSA-N 0 0 192.243 1.813 10 0 ADAERN Nc1n[nH]c(-c2ccoc2)c1F 575450867 410054308 /nfs/dbraw/zinc/05/43/08/410054308.db2.gz WXEMVLXFXFCGGY-UHFFFAOYSA-N 0 0 167.143 1.391 10 0 ADAERN Nc1ccnc(C[C@@H]2CC2(F)F)n1 575450865 410054315 /nfs/dbraw/zinc/05/43/15/410054315.db2.gz CFKXYIZLYGWIGW-RXMQYKEDSA-N 0 0 185.177 1.257 10 0 ADAERN Nc1noc([C@H]2CCCSCC2)n1 575453812 410054373 /nfs/dbraw/zinc/05/43/73/410054373.db2.gz NJQMKLFOLGBADL-LURJTMIESA-N 0 0 199.279 1.653 10 0 ADAERN Cc1ncc(-c2cnc(N)s2)s1 575450911 410054437 /nfs/dbraw/zinc/05/44/37/410054437.db2.gz HJDKXUNKXRZAGF-UHFFFAOYSA-N 0 0 197.288 2.157 10 0 ADAERN Nc1ccnc(C[C@H]2CC2(F)F)n1 575450874 410054506 /nfs/dbraw/zinc/05/45/06/410054506.db2.gz CFKXYIZLYGWIGW-YFKPBYRVSA-N 0 0 185.177 1.257 10 0 ADAERN Nc1ccc(C2=CCCC2)nn1 575459091 410055118 /nfs/dbraw/zinc/05/51/18/410055118.db2.gz FKFZCFKIMXWRBO-UHFFFAOYSA-N 0 0 161.208 1.626 10 0 ADAERN Cn1ncc(Cl)c1-c1cc(N)no1 575459042 410055212 /nfs/dbraw/zinc/05/52/12/410055212.db2.gz VQAOHTWFLZAMGX-UHFFFAOYSA-N 0 0 198.613 1.311 10 0 ADAERN Cc1nc(N[C@H](C)CF)sc1C 575455834 410055309 /nfs/dbraw/zinc/05/53/09/410055309.db2.gz JTYJBVBFPKNNRU-RXMQYKEDSA-N 0 0 188.271 2.530 10 0 ADAERN C[C@](O)(c1cnc(N)s1)C(F)F 575456798 410055389 /nfs/dbraw/zinc/05/53/89/410055389.db2.gz RZAGTTDUOCOKGP-LURJTMIESA-N 0 0 194.206 1.198 10 0 ADAERN Clc1cnc(N[C@H]2C=CCC2)cn1 575454721 410055408 /nfs/dbraw/zinc/05/54/08/410055408.db2.gz TVUZUMMAJZVILP-ZETCQYMHSA-N 0 0 195.653 2.261 10 0 ADAERN Nc1n[nH]c(-c2ccsc2)c1F 575460347 410055548 /nfs/dbraw/zinc/05/55/48/410055548.db2.gz CZGNWYUPKUVGDE-UHFFFAOYSA-N 0 0 183.211 1.860 10 0 ADAERN CC(F)(F)CNc1ccc(N)nc1 575455680 410055692 /nfs/dbraw/zinc/05/56/92/410055692.db2.gz ROKYZTDVRLNCMU-UHFFFAOYSA-N 0 0 187.193 1.731 10 0 ADAERN CC(F)(F)CNc1nccnc1F 575459684 410055707 /nfs/dbraw/zinc/05/57/07/410055707.db2.gz CTSXNNBSAGTHBQ-UHFFFAOYSA-N 0 0 191.156 1.683 10 0 ADAERN COC1(c2nnc(N)s2)CCCC1 575459182 410055766 /nfs/dbraw/zinc/05/57/66/410055766.db2.gz ZMPZFFMXUHWITN-UHFFFAOYSA-N 0 0 199.279 1.536 10 0 ADAERN Cc1nc(N)nc(C2=CCCC2)n1 575457812 410055770 /nfs/dbraw/zinc/05/57/70/410055770.db2.gz GJMDKSORVHVOOV-UHFFFAOYSA-N 0 0 176.223 1.330 10 0 ADAERN Cc1ncsc1-c1nccc(N)n1 575455538 410055815 /nfs/dbraw/zinc/05/58/15/410055815.db2.gz OCEJSVCPUIWPEU-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1ccc(NC2CSC2)cn1 575459320 410055839 /nfs/dbraw/zinc/05/58/39/410055839.db2.gz ASUVVFRCGDDSST-UHFFFAOYSA-N 0 0 181.264 1.191 10 0 ADAERN Clc1cnc(N[C@@H]2C=CCC2)cn1 575454720 410055865 /nfs/dbraw/zinc/05/58/65/410055865.db2.gz TVUZUMMAJZVILP-SSDOTTSWSA-N 0 0 195.653 2.261 10 0 ADAERN Nc1ccc(N2CC[C@H](F)C2)cn1 575458766 410055874 /nfs/dbraw/zinc/05/58/74/410055874.db2.gz QRXPNFDPMCOHQI-ZETCQYMHSA-N 0 0 181.214 1.212 10 0 ADAERN Cc1ncc(-c2ccc(N)nc2)s1 575459537 410055959 /nfs/dbraw/zinc/05/59/59/410055959.db2.gz SIZPCBDOCJIPEW-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 ADAERN C[C@@](O)(c1cnc(N)s1)C(F)F 575456800 410055968 /nfs/dbraw/zinc/05/59/68/410055968.db2.gz RZAGTTDUOCOKGP-ZCFIWIBFSA-N 0 0 194.206 1.198 10 0 ADAERN CC1(C)CC(c2nc(N)ns2)C1 575459212 410055989 /nfs/dbraw/zinc/05/59/89/410055989.db2.gz GACRKPOKQGRQIW-UHFFFAOYSA-N 0 0 183.280 2.024 10 0 ADAERN Nc1nccc(C2(Cl)CC2)n1 575458211 410056035 /nfs/dbraw/zinc/05/60/35/410056035.db2.gz FVPAAVGJNBSYSR-UHFFFAOYSA-N 0 0 169.615 1.287 10 0 ADAERN Cc1cc(-c2nsc(N)n2)ccn1 575459760 410056097 /nfs/dbraw/zinc/05/60/97/410056097.db2.gz QZEWUHPLXOQNHJ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Fc1nccnc1N[C@H]1C=CCC1 575456344 410056156 /nfs/dbraw/zinc/05/61/56/410056156.db2.gz SUIZQSQQJVOSBP-ZETCQYMHSA-N 0 0 179.198 1.746 10 0 ADAERN Cc1c(F)ncnc1NCC(F)F 575458259 410056162 /nfs/dbraw/zinc/05/61/62/410056162.db2.gz MDNZFEFIMMOTRI-UHFFFAOYSA-N 0 0 191.156 1.601 10 0 ADAERN Nc1ccc(N2CC[C@@H](F)C2)cn1 575458765 410056245 /nfs/dbraw/zinc/05/62/45/410056245.db2.gz QRXPNFDPMCOHQI-SSDOTTSWSA-N 0 0 181.214 1.212 10 0 ADAERN Cc1cnc([C@@H]2CC23CC3)nc1N 575454660 410056354 /nfs/dbraw/zinc/05/63/54/410056354.db2.gz OIYFQTXCSNERRQ-ZETCQYMHSA-N 0 0 175.235 1.635 10 0 ADAERN Fc1nccc(Nc2ccsc2)n1 575459555 410056369 /nfs/dbraw/zinc/05/63/69/410056369.db2.gz XTJCEKWTNKAPCH-UHFFFAOYSA-N 0 0 195.222 2.421 10 0 ADAERN Cc1cnc([C@H]2CC23CC3)nc1N 575454648 410056386 /nfs/dbraw/zinc/05/63/86/410056386.db2.gz OIYFQTXCSNERRQ-SSDOTTSWSA-N 0 0 175.235 1.635 10 0 ADAERN N#CNc1ncnc(Cl)c1Cl 575456842 410056402 /nfs/dbraw/zinc/05/64/02/410056402.db2.gz SVKVXWYTJHUNPV-UHFFFAOYSA-N 0 0 189.005 1.676 10 0 ADAERN Fc1nccnc1N[C@@H]1C=CCC1 575456342 410056415 /nfs/dbraw/zinc/05/64/15/410056415.db2.gz SUIZQSQQJVOSBP-SSDOTTSWSA-N 0 0 179.198 1.746 10 0 ADAERN Cc1nc(N[C@@H](C)CF)sc1C 575455835 410056433 /nfs/dbraw/zinc/05/64/33/410056433.db2.gz JTYJBVBFPKNNRU-YFKPBYRVSA-N 0 0 188.271 2.530 10 0 ADAERN Nc1ccnc(N[C@@H]2C=CCC2)n1 575460733 410057439 /nfs/dbraw/zinc/05/74/39/410057439.db2.gz SHHDKDYLIWAQTK-SSDOTTSWSA-N 0 0 176.223 1.189 10 0 ADAERN Cc1ncsc1-c1cnc(N)nc1 575460504 410057538 /nfs/dbraw/zinc/05/75/38/410057538.db2.gz BEFGOXWJGDVSFE-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1ncc(Cc2ccns2)s1 575460768 410057652 /nfs/dbraw/zinc/05/76/52/410057652.db2.gz USMDSSBRWPBXMI-UHFFFAOYSA-N 0 0 197.288 1.773 10 0 ADAERN Cc1csc(-c2ccnc(N)n2)n1 575464929 410057795 /nfs/dbraw/zinc/05/77/95/410057795.db2.gz HXBCZUGFTWATII-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CNc1cc(-c2nc(C)cs2)[nH]n1 575463688 410057861 /nfs/dbraw/zinc/05/78/61/410057861.db2.gz OSWKOOFZOBUTLY-UHFFFAOYSA-N 0 0 194.263 1.883 10 0 ADAERN Nc1ccc(N[C@H]2C=CCC2)cn1 575463317 410057944 /nfs/dbraw/zinc/05/79/44/410057944.db2.gz GCJUIGSVKMDREK-QMMMGPOBSA-N 0 0 175.235 1.794 10 0 ADAERN COc1cccc(NC2CSC2)n1 575460841 410058145 /nfs/dbraw/zinc/05/81/45/410058145.db2.gz XMHDZKLZCRBMJT-UHFFFAOYSA-N 0 0 196.275 1.618 10 0 ADAERN Nc1nsc(-c2ccns2)n1 575463994 410058151 /nfs/dbraw/zinc/05/81/51/410058151.db2.gz LNZJXPPTWVFMEM-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Nc1ccc(-c2ccsn2)nn1 575463662 410058159 /nfs/dbraw/zinc/05/81/59/410058159.db2.gz LUXNAOASFVDACM-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Nc1ccc(N[C@@H]2C=CCC2)cn1 575463316 410058195 /nfs/dbraw/zinc/05/81/95/410058195.db2.gz GCJUIGSVKMDREK-MRVPVSSYSA-N 0 0 175.235 1.794 10 0 ADAERN Nc1ccnc(N[C@H]2C=CCC2)n1 575460737 410058260 /nfs/dbraw/zinc/05/82/60/410058260.db2.gz SHHDKDYLIWAQTK-ZETCQYMHSA-N 0 0 176.223 1.189 10 0 ADAERN COc1ccc2sc(N)nc2c1F 575462697 410058477 /nfs/dbraw/zinc/05/84/77/410058477.db2.gz AIFAAESEQCCXEM-UHFFFAOYSA-N 0 0 198.222 2.026 10 0 ADAERN Nc1ncc(CCF)s1 575461421 410058503 /nfs/dbraw/zinc/05/85/03/410058503.db2.gz HIWGVBGQDJQQGO-UHFFFAOYSA-N 0 0 146.190 1.237 10 0 ADAERN Nc1ncn([C@H]2CCCSCC2)n1 575469927 410059314 /nfs/dbraw/zinc/05/93/14/410059314.db2.gz NGLCWBRXVWHLDQ-ZETCQYMHSA-N 0 0 198.295 1.319 10 0 ADAERN Nc1ncn([C@@H]2CCCSCC2)n1 575469926 410059355 /nfs/dbraw/zinc/05/93/55/410059355.db2.gz NGLCWBRXVWHLDQ-SSDOTTSWSA-N 0 0 198.295 1.319 10 0 ADAERN Cc1cn(C)nc1NCC1CCC1 575479224 410060582 /nfs/dbraw/zinc/06/05/82/410060582.db2.gz UMFOUUSJRWFBIE-UHFFFAOYSA-N 0 0 179.267 1.941 10 0 ADAERN CC[C@@H](C)Nc1nn(C)cc1C 575479094 410060609 /nfs/dbraw/zinc/06/06/09/410060609.db2.gz MDCVDOOHFZOSQT-MRVPVSSYSA-N 0 0 167.256 1.939 10 0 ADAERN Cc1cn(C)nc1N[C@H](C)C(C)C 575479049 410060673 /nfs/dbraw/zinc/06/06/73/410060673.db2.gz OBUZAHRJBLCQMG-SECBINFHSA-N 0 0 181.283 2.185 10 0 ADAERN Nc1nsc(N[C@@]23CCC[C@@H]2C3)n1 575478580 410060694 /nfs/dbraw/zinc/06/06/94/410060694.db2.gz BRCWBVYQFHNOTQ-SVGQVSJJSA-N 0 0 196.279 1.475 10 0 ADAERN Nc1nsc(N[C@]23CCC[C@H]2C3)n1 575478585 410060698 /nfs/dbraw/zinc/06/06/98/410060698.db2.gz BRCWBVYQFHNOTQ-XNCJUZBTSA-N 0 0 196.279 1.475 10 0 ADAERN C/C=C/CNc1nn(C)cc1C 575479589 410060732 /nfs/dbraw/zinc/06/07/32/410060732.db2.gz OTABVTDRMQZOCY-SNAWJCMRSA-N 0 0 165.240 1.717 10 0 ADAERN CC[C@H](C)Nc1nn(C)cc1C 575479100 410060786 /nfs/dbraw/zinc/06/07/86/410060786.db2.gz MDCVDOOHFZOSQT-QMMMGPOBSA-N 0 0 167.256 1.939 10 0 ADAERN Cc1cn(C)nc1N[C@@H](C)C(C)C 575479062 410060835 /nfs/dbraw/zinc/06/08/35/410060835.db2.gz OBUZAHRJBLCQMG-VIFPVBQESA-N 0 0 181.283 2.185 10 0 ADAERN Cc1cn(C)nc1NC1CCCC1 575479276 410060840 /nfs/dbraw/zinc/06/08/40/410060840.db2.gz XIOPULKZMQDWNT-UHFFFAOYSA-N 0 0 179.267 2.083 10 0 ADAERN c1nnc(N[C@@]23CCC[C@@H]2C3)s1 575480196 410061700 /nfs/dbraw/zinc/06/17/00/410061700.db2.gz KQQWCHPTRNIOPI-HTRCEHHLSA-N 0 0 181.264 1.893 10 0 ADAERN c1nnc(N[C@]23CCC[C@H]2C3)s1 575480199 410061761 /nfs/dbraw/zinc/06/17/61/410061761.db2.gz KQQWCHPTRNIOPI-XPUUQOCRSA-N 0 0 181.264 1.893 10 0 ADAERN c1nnc(NC[C@]23CCC[C@H]2C3)s1 575479968 410061797 /nfs/dbraw/zinc/06/17/97/410061797.db2.gz JHJZGJUZEMENFJ-IONNQARKSA-N 0 0 195.291 2.140 10 0 ADAERN c1nnc(NC[C@@]23CCC[C@@H]2C3)s1 575479966 410061814 /nfs/dbraw/zinc/06/18/14/410061814.db2.gz JHJZGJUZEMENFJ-APPZFPTMSA-N 0 0 195.291 2.140 10 0 ADAERN c1cnnc(N[C@@]23CCC[C@@H]2C3)c1 575482106 410062923 /nfs/dbraw/zinc/06/29/23/410062923.db2.gz VPUPIFCNPWZAQK-PSASIEDQSA-N 0 0 175.235 1.831 10 0 ADAERN c1nnc(N[C@@]23CCCC[C@@H]2C3)s1 575481363 410062977 /nfs/dbraw/zinc/06/29/77/410062977.db2.gz RIIANYVLKUUWIO-VXNVDRBHSA-N 0 0 195.291 2.283 10 0 ADAERN c1cnnc(N[C@]23CCC[C@H]2C3)c1 575482110 410063021 /nfs/dbraw/zinc/06/30/21/410063021.db2.gz VPUPIFCNPWZAQK-WPRPVWTQSA-N 0 0 175.235 1.831 10 0 ADAERN Nc1ccnc([C@@H]2CC23CC3)n1 575481006 410063037 /nfs/dbraw/zinc/06/30/37/410063037.db2.gz BUXMMYXMLCSIHP-LURJTMIESA-N 0 0 161.208 1.326 10 0 ADAERN c1nnc(N[C@]23CCCC[C@H]2C3)s1 575481361 410063075 /nfs/dbraw/zinc/06/30/75/410063075.db2.gz RIIANYVLKUUWIO-CBAPKCEASA-N 0 0 195.291 2.283 10 0 ADAERN Cc1cnnc(NCC(C)(F)F)c1 575481254 410063109 /nfs/dbraw/zinc/06/31/09/410063109.db2.gz QQNICVNIDDNZAA-UHFFFAOYSA-N 0 0 187.193 1.852 10 0 ADAERN c1cc(NC[C@@H]2CC23CC3)ncn1 575480937 410063127 /nfs/dbraw/zinc/06/31/27/410063127.db2.gz BDUOWUBHJUPDSW-QMMMGPOBSA-N 0 0 175.235 1.689 10 0 ADAERN Nc1ccnc([C@H]2CC23CC3)n1 575481007 410063147 /nfs/dbraw/zinc/06/31/47/410063147.db2.gz BUXMMYXMLCSIHP-ZCFIWIBFSA-N 0 0 161.208 1.326 10 0 ADAERN c1cc(NC[C@H]2CC23CC3)ncn1 575480932 410063172 /nfs/dbraw/zinc/06/31/72/410063172.db2.gz BDUOWUBHJUPDSW-MRVPVSSYSA-N 0 0 175.235 1.689 10 0 ADAERN CC1CC(c2nc(N)nc(Cl)n2)C1 575486275 410063979 /nfs/dbraw/zinc/06/39/79/410063979.db2.gz HPUBEXNIMXBRGB-UHFFFAOYSA-N 0 0 198.657 1.621 10 0 ADAERN Nc1cnc(NC[C@@H]2CC23CC3)s1 575484772 410064034 /nfs/dbraw/zinc/06/40/34/410064034.db2.gz WQZGWGDMNSQQDJ-LURJTMIESA-N 0 0 195.291 1.937 10 0 ADAERN CC(C)(c1nc(N)no1)C(F)(F)F 575484280 410064049 /nfs/dbraw/zinc/06/40/49/410064049.db2.gz YHNYAOOJXSUMEP-UHFFFAOYSA-N 0 0 195.144 1.492 10 0 ADAERN c1cnnc(NC[C@H]2CC23CC3)c1 575486600 410064095 /nfs/dbraw/zinc/06/40/95/410064095.db2.gz NCFZHNDFFLQWBZ-MRVPVSSYSA-N 0 0 175.235 1.689 10 0 ADAERN Nc1nnc(C2CC3(CCC3)C2)o1 575485784 410064144 /nfs/dbraw/zinc/06/41/44/410064144.db2.gz BECVOXBWIDPTIR-UHFFFAOYSA-N 0 0 179.223 1.700 10 0 ADAERN Cc1c(N)n[nH]c1C1CC(C)C1 575486217 410064239 /nfs/dbraw/zinc/06/42/39/410064239.db2.gz GLHHXMPXLIFOAD-UHFFFAOYSA-N 0 0 165.240 1.814 10 0 ADAERN Nc1cnc(NC[C@H]2CC23CC3)s1 575484773 410064302 /nfs/dbraw/zinc/06/43/02/410064302.db2.gz WQZGWGDMNSQQDJ-ZCFIWIBFSA-N 0 0 195.291 1.937 10 0 ADAERN CNc1ccnc([C@H]2CC23CC3)n1 575484800 410064267 /nfs/dbraw/zinc/06/42/67/410064267.db2.gz WUQKZHZHSFRUGS-SSDOTTSWSA-N 0 0 175.235 1.786 10 0 ADAERN Fc1ccc(NCC2CSC2)nc1 575485952 410064463 /nfs/dbraw/zinc/06/44/63/410064463.db2.gz DJEBXALLRPACLG-UHFFFAOYSA-N 0 0 198.266 1.996 10 0 ADAERN CC1CC(c2nnc(N)s2)C1 575486341 410064446 /nfs/dbraw/zinc/06/44/46/410064446.db2.gz IHHJDABEKHZKBO-UHFFFAOYSA-N 0 0 169.253 1.634 10 0 ADAERN CC1(Nc2cncc(F)n2)CC1 575483222 410064560 /nfs/dbraw/zinc/06/45/60/410064560.db2.gz OOMKNKKFKZGUDP-UHFFFAOYSA-N 0 0 167.187 1.580 10 0 ADAERN CC(C)(C)Nc1cncc(F)n1 575484422 410064567 /nfs/dbraw/zinc/06/45/67/410064567.db2.gz UYASXYCAZKXYAY-UHFFFAOYSA-N 0 0 169.203 1.826 10 0 ADAERN CNc1ccnc([C@@H]2CC23CC3)n1 575484805 410064620 /nfs/dbraw/zinc/06/46/20/410064620.db2.gz WUQKZHZHSFRUGS-ZETCQYMHSA-N 0 0 175.235 1.786 10 0 ADAERN Nc1noc(C2CC3(CCC3)C2)n1 575485935 410064632 /nfs/dbraw/zinc/06/46/32/410064632.db2.gz CVICJWHZUYRHDG-UHFFFAOYSA-N 0 0 179.223 1.700 10 0 ADAERN Cc1cn(C)nc1NCC(C)(C)C 575487539 410065356 /nfs/dbraw/zinc/06/53/56/410065356.db2.gz QVPJXUNMYFZWSC-UHFFFAOYSA-N 0 0 181.283 2.187 10 0 ADAERN Nc1nnc(C2CC3(CCC3)C2)s1 575487538 410065374 /nfs/dbraw/zinc/06/53/74/410065374.db2.gz UKSUBXHAVLUVKZ-UHFFFAOYSA-N 0 0 195.291 2.168 10 0 ADAERN CC(C)C(C)(C)Nc1cnccn1 575487101 410065394 /nfs/dbraw/zinc/06/53/94/410065394.db2.gz KPPXXODKPPXMLX-UHFFFAOYSA-N 0 0 179.267 2.323 10 0 ADAERN CC1(Nc2cncc(F)n2)CCC1 575487253 410065403 /nfs/dbraw/zinc/06/54/03/410065403.db2.gz BDHIXJMRDKJLKK-UHFFFAOYSA-N 0 0 181.214 1.970 10 0 ADAERN Nc1nnc([C@@H]2CCC[C@@H]3C[C@@H]32)o1 575488173 410065464 /nfs/dbraw/zinc/06/54/64/410065464.db2.gz JZZYTUGWVUVKJZ-QYNIQEEDSA-N 0 0 179.223 1.555 10 0 ADAERN CC1CC(c2nc(N)ns2)C1 575487197 410065501 /nfs/dbraw/zinc/06/55/01/410065501.db2.gz QRYQYJTYPLOPAV-UHFFFAOYSA-N 0 0 169.253 1.634 10 0 ADAERN CCc1nnc(NC)c(C)c1C 575487247 410065507 /nfs/dbraw/zinc/06/55/07/410065507.db2.gz AUHZMFQPVCOZTM-UHFFFAOYSA-N 0 0 165.240 1.698 10 0 ADAERN Nc1ncn([C@@H]2CCC[C@@H]3C[C@@H]32)n1 575487998 410065515 /nfs/dbraw/zinc/06/55/15/410065515.db2.gz OXEPCFDFLFYCGX-GJMOJQLCSA-N 0 0 178.239 1.221 10 0 ADAERN Cc1cn(C)nc1N[C@H]1CC[C@@H]1C 575486751 410065546 /nfs/dbraw/zinc/06/55/46/410065546.db2.gz HFWUHGYWMSPGCR-CBAPKCEASA-N 0 0 179.267 1.939 10 0 ADAERN Nc1ncn([C@@H]2CCC[C@H]3C[C@H]32)n1 575487999 410065554 /nfs/dbraw/zinc/06/55/54/410065554.db2.gz OXEPCFDFLFYCGX-XLPZGREQSA-N 0 0 178.239 1.221 10 0 ADAERN Cc1ccncc1-c1nc(N)ns1 575488139 410065576 /nfs/dbraw/zinc/06/55/76/410065576.db2.gz JXFIUYOWBOBZIJ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1CC(c2cc(N)no2)C1 575487620 410065590 /nfs/dbraw/zinc/06/55/90/410065590.db2.gz VLDNHPRTEFURCV-UHFFFAOYSA-N 0 0 152.197 1.770 10 0 ADAERN Nc1nnc([C@@H]2CCC[C@H]3C[C@H]32)o1 575488178 410065598 /nfs/dbraw/zinc/06/55/98/410065598.db2.gz JZZYTUGWVUVKJZ-RRKCRQDMSA-N 0 0 179.223 1.555 10 0 ADAERN Nc1nsc(C2CC3(CCC3)C2)n1 575487955 410065606 /nfs/dbraw/zinc/06/56/06/410065606.db2.gz XJLSUORBGNFGQS-UHFFFAOYSA-N 0 0 195.291 2.168 10 0 ADAERN Cc1cn(C)nc1N[C@H](C)C(F)F 575488435 410065614 /nfs/dbraw/zinc/06/56/14/410065614.db2.gz ZWTYQKABFXIEFC-ZCFIWIBFSA-N 0 0 189.209 1.794 10 0 ADAERN CCc1ncnc(NC)c1C(C)C 575488374 410065619 /nfs/dbraw/zinc/06/56/19/410065619.db2.gz KXFVEIJADGMHAV-UHFFFAOYSA-N 0 0 179.267 2.204 10 0 ADAERN CCc1c(N)n[nH]c1C1CC(C)C1 575488147 410065640 /nfs/dbraw/zinc/06/56/40/410065640.db2.gz ZVZXBOCOKRQVMT-UHFFFAOYSA-N 0 0 179.267 2.068 10 0 ADAERN Nc1nnc([C@@H]2CCC[C@@H]3C[C@@H]32)s1 575488114 410065763 /nfs/dbraw/zinc/06/57/63/410065763.db2.gz JMKGRKSAPSJCOE-QYNIQEEDSA-N 0 0 195.291 2.024 10 0 ADAERN Cc1cc(N)nc([C@H]2CC23CC3)n1 575487843 410065786 /nfs/dbraw/zinc/06/57/86/410065786.db2.gz NSYXYQXBGULEER-SSDOTTSWSA-N 0 0 175.235 1.635 10 0 ADAERN CCc1nc(NC)nc2ccsc12 575488406 410065802 /nfs/dbraw/zinc/06/58/02/410065802.db2.gz LKNCGGUGZNRTFB-UHFFFAOYSA-N 0 0 193.275 2.295 10 0 ADAERN Nc1nnc([C@@H]2CCC[C@H]3C[C@H]32)s1 575488115 410065813 /nfs/dbraw/zinc/06/58/13/410065813.db2.gz JMKGRKSAPSJCOE-RRKCRQDMSA-N 0 0 195.291 2.024 10 0 ADAERN Nc1ccnc([C@H]2C[C@@H]3C[C@@H]3C2)n1 575487884 410065823 /nfs/dbraw/zinc/06/58/23/410065823.db2.gz UGJUONBNYPFYEZ-RNLVFQAGSA-N 0 0 175.235 1.572 10 0 ADAERN Cc1cn(C)nc1NC1CC(C)C1 575488357 410065885 /nfs/dbraw/zinc/06/58/85/410065885.db2.gz ZCBOWSWXZQCEOO-UHFFFAOYSA-N 0 0 179.267 1.939 10 0 ADAERN Cc1cn(C)nc1N[C@@H](C)C(F)F 575488433 410065925 /nfs/dbraw/zinc/06/59/25/410065925.db2.gz ZWTYQKABFXIEFC-LURJTMIESA-N 0 0 189.209 1.794 10 0 ADAERN Cc1cn(C)nc1N[C@H]1CC[C@H]1C 575486750 410065948 /nfs/dbraw/zinc/06/59/48/410065948.db2.gz HFWUHGYWMSPGCR-APPZFPTMSA-N 0 0 179.267 1.939 10 0 ADAERN CC1CC(c2nc(N)nc(=S)[nH]2)C1 575487979 410065972 /nfs/dbraw/zinc/06/59/72/410065972.db2.gz XPIINOFYBLDILT-UHFFFAOYSA-N 0 0 196.279 1.256 10 0 ADAERN Nc1n[nH]c(C2CC3(CCC3)C2)n1 575487867 410065995 /nfs/dbraw/zinc/06/59/95/410065995.db2.gz WNOALSMFJHJYLR-UHFFFAOYSA-N 0 0 178.239 1.435 10 0 ADAERN Cc1cc(N)nc([C@@H]2CC23CC3)n1 575487845 410066011 /nfs/dbraw/zinc/06/60/11/410066011.db2.gz NSYXYQXBGULEER-ZETCQYMHSA-N 0 0 175.235 1.635 10 0 ADAERN CCc1ncnc(NC)c1CC 575487248 410066025 /nfs/dbraw/zinc/06/60/25/410066025.db2.gz AWZUWIMDXQBDIJ-UHFFFAOYSA-N 0 0 165.240 1.643 10 0 ADAERN Cc1c(N)noc1C1CC(C)C1 575488064 410066039 /nfs/dbraw/zinc/06/60/39/410066039.db2.gz YXJFFBFJQKJYIG-UHFFFAOYSA-N 0 0 166.224 2.079 10 0 ADAERN Cc1cn(C)nc1N[C@@H]1CC[C@@H]1C 575486752 410066053 /nfs/dbraw/zinc/06/60/53/410066053.db2.gz HFWUHGYWMSPGCR-IONNQARKSA-N 0 0 179.267 1.939 10 0 ADAERN CC(C)C(C)(C)Nc1nncs1 575488470 410066066 /nfs/dbraw/zinc/06/60/66/410066066.db2.gz SHXZMCGWBWRSLS-UHFFFAOYSA-N 0 0 185.296 2.385 10 0 ADAERN Cc1cn(C)nc1N[C@@H]1CC[C@H]1C 575486754 410066072 /nfs/dbraw/zinc/06/60/72/410066072.db2.gz HFWUHGYWMSPGCR-VXNVDRBHSA-N 0 0 179.267 1.939 10 0 ADAERN c1cnnc(NC[C@@H]2CC23CC3)c1 575486601 410066080 /nfs/dbraw/zinc/06/60/80/410066080.db2.gz NCFZHNDFFLQWBZ-QMMMGPOBSA-N 0 0 175.235 1.689 10 0 ADAERN CCc1nc(NC)nc2sccc12 575488184 410066101 /nfs/dbraw/zinc/06/61/01/410066101.db2.gz KCLUITRNSMGJTJ-UHFFFAOYSA-N 0 0 193.275 2.295 10 0 ADAERN Cc1cn(C)nc1NC1CCC1 575488356 410066108 /nfs/dbraw/zinc/06/61/08/410066108.db2.gz ZAXTYVOFZDIUSP-UHFFFAOYSA-N 0 0 165.240 1.693 10 0 ADAERN Nc1cc([C@@H]2CCC[C@H]3C[C@H]32)on1 575488694 410066993 /nfs/dbraw/zinc/06/69/93/410066993.db2.gz PUCZUOHJYUESKO-XLPZGREQSA-N 0 0 178.235 2.160 10 0 ADAERN Nc1noc([C@@H]2CCC[C@H]3C[C@H]32)n1 575489049 410067045 /nfs/dbraw/zinc/06/70/45/410067045.db2.gz WQWVUUBCSHKZAQ-RRKCRQDMSA-N 0 0 179.223 1.555 10 0 ADAERN Cc1cc(NC2CCC2)nc(F)n1 575489656 410067052 /nfs/dbraw/zinc/06/70/52/410067052.db2.gz LCNNAXKFZQKBQE-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN Cc1ccncc1-c1cc(N)n[nH]1 575488929 410067058 /nfs/dbraw/zinc/06/70/58/410067058.db2.gz TYCTTZKJGYPVIX-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN Cc1cc(N)nn1Cc1ccns1 575489643 410067155 /nfs/dbraw/zinc/06/71/55/410067155.db2.gz HLFZVVFYNFYXHZ-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN C[C@@H]1CCCCc2cc(N)nnc21 575489368 410067084 /nfs/dbraw/zinc/06/70/84/410067084.db2.gz HZXZZXQBUXRACQ-SSDOTTSWSA-N 0 0 177.251 1.889 10 0 ADAERN C[C@H]1CCCCc2cc(N)nnc21 575489369 410067092 /nfs/dbraw/zinc/06/70/92/410067092.db2.gz HZXZZXQBUXRACQ-ZETCQYMHSA-N 0 0 177.251 1.889 10 0 ADAERN C/C=C/CNc1cc(F)nc(F)n1 575489312 410067104 /nfs/dbraw/zinc/06/71/04/410067104.db2.gz FPZYAJZTDZAING-NSCUHMNNSA-N 0 0 185.177 1.743 10 0 ADAERN Cc1cn(Cc2ccns2)nc1N 575489288 410067132 /nfs/dbraw/zinc/06/71/32/410067132.db2.gz BDVGUAUGEAKCEO-UHFFFAOYSA-N 0 0 194.263 1.279 10 0 ADAERN CC(C)C(C)(C)Nc1n[nH]c(N)n1 575489485 410067139 /nfs/dbraw/zinc/06/71/39/410067139.db2.gz FMQFKTQQMMXRJK-UHFFFAOYSA-N 0 0 183.259 1.233 10 0 ADAERN Nc1cc([C@@H]2CCC[C@@H]3C[C@@H]32)[nH]n1 575489000 410067151 /nfs/dbraw/zinc/06/71/51/410067151.db2.gz VGYILBJKVXCABE-PRJMDXOYSA-N 0 0 177.251 1.896 10 0 ADAERN Nc1noc([C@@H]2CCC[C@@H]3C[C@@H]32)n1 575489048 410067208 /nfs/dbraw/zinc/06/72/08/410067208.db2.gz WQWVUUBCSHKZAQ-QYNIQEEDSA-N 0 0 179.223 1.555 10 0 ADAERN C/C=C/CNc1cc(C)nc(F)n1 575489251 410067173 /nfs/dbraw/zinc/06/71/73/410067173.db2.gz DTTVMJUPSMIOTB-ONEGZZNKSA-N 0 0 181.214 1.912 10 0 ADAERN Nc1ccc(NCC2CSC2)cn1 575488724 410067181 /nfs/dbraw/zinc/06/71/81/410067181.db2.gz WGNROOFWDPMLIH-UHFFFAOYSA-N 0 0 195.291 1.439 10 0 ADAERN Nc1nsc([C@@H]2CCC[C@H]3C[C@H]32)n1 575488651 410067221 /nfs/dbraw/zinc/06/72/21/410067221.db2.gz PKXQGSKSWSEGJQ-RRKCRQDMSA-N 0 0 195.291 2.024 10 0 ADAERN Cc1ncc(-c2ccnc(N)n2)s1 575490507 410067273 /nfs/dbraw/zinc/06/72/73/410067273.db2.gz GSQCOJBRZPVVTB-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CCCNc1cc(C)nc(F)n1 575489238 410067283 /nfs/dbraw/zinc/06/72/83/410067283.db2.gz DELTZXIJCVJSBC-UHFFFAOYSA-N 0 0 169.203 1.746 10 0 ADAERN Cc1cc(NC(C)C)nc(F)n1 575490149 410067315 /nfs/dbraw/zinc/06/73/15/410067315.db2.gz YARBUMITGSPSOU-UHFFFAOYSA-N 0 0 169.203 1.744 10 0 ADAERN CC[C@@H](C)Nc1cc(F)nc(F)n1 575490115 410067322 /nfs/dbraw/zinc/06/73/22/410067322.db2.gz XGNGUYXFEONKIY-RXMQYKEDSA-N 0 0 187.193 1.965 10 0 ADAERN Cc1cc(N[C@@H]2C[C@H]2C)nc(F)n1 575490197 410067335 /nfs/dbraw/zinc/06/73/35/410067335.db2.gz ZCIKIMKTWWHRFI-IYSWYEEDSA-N 0 0 181.214 1.744 10 0 ADAERN Cc1cc(NCC2CC2)nc(F)n1 575489367 410067369 /nfs/dbraw/zinc/06/73/69/410067369.db2.gz HVAQUSVVCJGPGF-UHFFFAOYSA-N 0 0 181.214 1.746 10 0 ADAERN Fc1cc(NC2CCC2)nc(F)n1 575490214 410067378 /nfs/dbraw/zinc/06/73/78/410067378.db2.gz ZKLKXVDKOCSTOC-UHFFFAOYSA-N 0 0 185.177 1.719 10 0 ADAERN CCC(C)(C)Nc1cncc(F)n1 575489013 410067414 /nfs/dbraw/zinc/06/74/14/410067414.db2.gz VQYUAXRILXYFCQ-UHFFFAOYSA-N 0 0 183.230 2.216 10 0 ADAERN CCNc1ncc(F)c(CC)n1 575489099 410067485 /nfs/dbraw/zinc/06/74/85/410067485.db2.gz YJTORUMAFKCSTN-UHFFFAOYSA-N 0 0 169.203 1.610 10 0 ADAERN Cc1cc(NCC(C)C)nc(F)n1 575489237 410067492 /nfs/dbraw/zinc/06/74/92/410067492.db2.gz CYJMTOJRSJQCOD-UHFFFAOYSA-N 0 0 183.230 1.992 10 0 ADAERN Cc1cc(N[C@H]2C[C@H]2C)nc(F)n1 575490199 410067505 /nfs/dbraw/zinc/06/75/05/410067505.db2.gz ZCIKIMKTWWHRFI-VDTYLAMSSA-N 0 0 181.214 1.744 10 0 ADAERN CNc1n[nH]c2c1CCCC[C@@H]2C 575489396 410067511 /nfs/dbraw/zinc/06/75/11/410067511.db2.gz IHMVJPQOGIYPRX-ZETCQYMHSA-N 0 0 179.267 2.281 10 0 ADAERN CC[C@@H](C)Nc1cc(C)nc(F)n1 575489244 410067518 /nfs/dbraw/zinc/06/75/18/410067518.db2.gz DIWATEWKRZPIES-ZCFIWIBFSA-N 0 0 183.230 2.135 10 0 ADAERN Nc1n[nH]c([C@@H]2CCC[C@H]3C[C@H]32)n1 575488972 410067535 /nfs/dbraw/zinc/06/75/35/410067535.db2.gz UORYIMMIWCQXHD-RRKCRQDMSA-N 0 0 178.239 1.291 10 0 ADAERN CCC1(Nc2cncc(F)n2)CC1 575489145 410067406 /nfs/dbraw/zinc/06/74/06/410067406.db2.gz ZXPPKFMWYCENNL-UHFFFAOYSA-N 0 0 181.214 1.970 10 0 ADAERN Cc1cc(N[C@@H]2C[C@@H]2C)nc(F)n1 575490195 410067557 /nfs/dbraw/zinc/06/75/57/410067557.db2.gz ZCIKIMKTWWHRFI-CAHLUQPWSA-N 0 0 181.214 1.744 10 0 ADAERN Nc1n[nH]c([C@@H]2CCC[C@@H]3C[C@@H]32)n1 575488970 410067564 /nfs/dbraw/zinc/06/75/64/410067564.db2.gz UORYIMMIWCQXHD-QYNIQEEDSA-N 0 0 178.239 1.291 10 0 ADAERN Nc1nsc([C@@H]2CCC[C@@H]3C[C@@H]32)n1 575488650 410067567 /nfs/dbraw/zinc/06/75/67/410067567.db2.gz PKXQGSKSWSEGJQ-QYNIQEEDSA-N 0 0 195.291 2.024 10 0 ADAERN Nc1cc([C@@H]2CCC[C@H]3C[C@H]32)[nH]n1 575489002 410067599 /nfs/dbraw/zinc/06/75/99/410067599.db2.gz VGYILBJKVXCABE-XLPZGREQSA-N 0 0 177.251 1.896 10 0 ADAERN CC(C)C(C)(C)n1cnc(N)n1 575489645 410067609 /nfs/dbraw/zinc/06/76/09/410067609.db2.gz HLXIDNPFTJLHMM-UHFFFAOYSA-N 0 0 168.244 1.251 10 0 ADAERN CNc1n[nH]c2c1CCCC[C@H]2C 575489395 410067670 /nfs/dbraw/zinc/06/76/70/410067670.db2.gz IHMVJPQOGIYPRX-SSDOTTSWSA-N 0 0 179.267 2.281 10 0 ADAERN C[C@@H]1CCCCc2cnc(N)nc21 575489987 410067674 /nfs/dbraw/zinc/06/76/74/410067674.db2.gz QNKNVAPMENOSKM-SSDOTTSWSA-N 0 0 177.251 1.889 10 0 ADAERN Cc1cc(N[C@H]2C[C@@H]2C)nc(F)n1 575490196 410067708 /nfs/dbraw/zinc/06/77/08/410067708.db2.gz ZCIKIMKTWWHRFI-FSPLSTOPSA-N 0 0 181.214 1.744 10 0 ADAERN CC(C)CNc1cc(F)nc(F)n1 575489552 410067715 /nfs/dbraw/zinc/06/77/15/410067715.db2.gz KEJUCGGUTYBVNM-UHFFFAOYSA-N 0 0 187.193 1.823 10 0 ADAERN CC[C@H](C)Nc1cc(C)nc(F)n1 575489243 410067725 /nfs/dbraw/zinc/06/77/25/410067725.db2.gz DIWATEWKRZPIES-LURJTMIESA-N 0 0 183.230 2.135 10 0 ADAERN CC[C@H](C)Nc1cc(F)nc(F)n1 575490116 410067729 /nfs/dbraw/zinc/06/77/29/410067729.db2.gz XGNGUYXFEONKIY-YFKPBYRVSA-N 0 0 187.193 1.965 10 0 ADAERN CCNc1nnc(CC)c(C)c1C 575489023 410067738 /nfs/dbraw/zinc/06/77/38/410067738.db2.gz VSFWELXODDUMBX-UHFFFAOYSA-N 0 0 179.267 2.088 10 0 ADAERN Nc1cc([C@@H]2CCC[C@@H]3C[C@@H]32)on1 575488690 410067750 /nfs/dbraw/zinc/06/77/50/410067750.db2.gz PUCZUOHJYUESKO-PRJMDXOYSA-N 0 0 178.235 2.160 10 0 ADAERN C[C@H]1CCCCc2cnc(N)nc21 575489988 410067765 /nfs/dbraw/zinc/06/77/65/410067765.db2.gz QNKNVAPMENOSKM-ZETCQYMHSA-N 0 0 177.251 1.889 10 0 ADAERN Cc1cnc(F)nc1N[C@@H]1C[C@@H]1C 575493057 410068338 /nfs/dbraw/zinc/06/83/38/410068338.db2.gz NWAVZAMHKHRRBC-CAHLUQPWSA-N 0 0 181.214 1.744 10 0 ADAERN Cc1cnc(F)nc1NC(C)C 575492337 410068395 /nfs/dbraw/zinc/06/83/95/410068395.db2.gz BZWJJSIPTGASKM-UHFFFAOYSA-N 0 0 169.203 1.744 10 0 ADAERN Cc1nc(N)nc(SC(C)C)n1 575492314 410068445 /nfs/dbraw/zinc/06/84/45/410068445.db2.gz BCVJZNCBLPLXRH-UHFFFAOYSA-N 0 0 184.268 1.263 10 0 ADAERN CC1CC(CNc2cccnn2)C1 575492203 410068467 /nfs/dbraw/zinc/06/84/67/410068467.db2.gz WUPKCUNTWZEOSR-UHFFFAOYSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1cnc(F)nc1N[C@H]1C[C@@H]1C 575493058 410068485 /nfs/dbraw/zinc/06/84/85/410068485.db2.gz NWAVZAMHKHRRBC-FSPLSTOPSA-N 0 0 181.214 1.744 10 0 ADAERN Cc1cnc(F)nc1N[C@H]1C[C@H]1C 575493060 410068511 /nfs/dbraw/zinc/06/85/11/410068511.db2.gz NWAVZAMHKHRRBC-VDTYLAMSSA-N 0 0 181.214 1.744 10 0 ADAERN CCCNc1nc(F)ncc1C 575493052 410068516 /nfs/dbraw/zinc/06/85/16/410068516.db2.gz NOWCJJMIVRBICK-UHFFFAOYSA-N 0 0 169.203 1.746 10 0 ADAERN CC1CC(CNc2ccncn2)C1 575491817 410068527 /nfs/dbraw/zinc/06/85/27/410068527.db2.gz NWVBNDTTYHCXKF-UHFFFAOYSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1ncc(-c2cnc(N)nc2)s1 575491471 410068609 /nfs/dbraw/zinc/06/86/09/410068609.db2.gz WYIKWVRROMJBCI-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CC1CC(CNc2nncs2)C1 575491916 410068703 /nfs/dbraw/zinc/06/87/03/410068703.db2.gz QKAIWBGBWQVCDK-UHFFFAOYSA-N 0 0 183.280 1.996 10 0 ADAERN Cc1ncc(-c2cc(N)ncn2)s1 575491201 410068740 /nfs/dbraw/zinc/06/87/40/410068740.db2.gz SEUFFLCFFLRDMI-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1nc(N)nc(SC(C)(C)C)n1 575492533 410068745 /nfs/dbraw/zinc/06/87/45/410068745.db2.gz IVVRNRVAOJWFPQ-UHFFFAOYSA-N 0 0 198.295 1.653 10 0 ADAERN CCC(F)(F)c1nnc(N)s1 575492237 410068778 /nfs/dbraw/zinc/06/87/78/410068778.db2.gz XTPFQNMKFGPLBN-UHFFFAOYSA-N 0 0 179.195 1.622 10 0 ADAERN Cc1cnc(F)nc1N[C@@H]1C[C@H]1C 575493059 410068783 /nfs/dbraw/zinc/06/87/83/410068783.db2.gz NWAVZAMHKHRRBC-IYSWYEEDSA-N 0 0 181.214 1.744 10 0 ADAERN CC[C@H](C)Nc1nc(F)ncc1C 575492296 410068808 /nfs/dbraw/zinc/06/88/08/410068808.db2.gz AESIXWBBPACNQS-ZETCQYMHSA-N 0 0 183.230 2.135 10 0 ADAERN CC[C@@H](C)Nc1nc(F)ncc1C 575492295 410068813 /nfs/dbraw/zinc/06/88/13/410068813.db2.gz AESIXWBBPACNQS-SSDOTTSWSA-N 0 0 183.230 2.135 10 0 ADAERN C/C=C/CNc1nc(C)nc(Cl)n1 575492365 410068824 /nfs/dbraw/zinc/06/88/24/410068824.db2.gz DKIDZAUTOKPBTB-ONEGZZNKSA-N 0 0 198.657 1.821 10 0 ADAERN Cc1nc(Cl)nc(NCC2CC2)n1 575492771 410068831 /nfs/dbraw/zinc/06/88/31/410068831.db2.gz LHTDPCLRKQRNGP-UHFFFAOYSA-N 0 0 198.657 1.655 10 0 ADAERN COC1(c2nc(N)ns2)CCCC1 575492855 410068840 /nfs/dbraw/zinc/06/88/40/410068840.db2.gz DBIYGJLWNWZVLF-UHFFFAOYSA-N 0 0 199.279 1.536 10 0 ADAERN CC(C)C(C)(C)Nc1cccnn1 575496048 410069809 /nfs/dbraw/zinc/06/98/09/410069809.db2.gz IHZYAIRFXLXZNO-UHFFFAOYSA-N 0 0 179.267 2.323 10 0 ADAERN Cc1cnc(F)nc1NCC(F)F 575493219 410069825 /nfs/dbraw/zinc/06/98/25/410069825.db2.gz PWRRNYZBHGUYIF-UHFFFAOYSA-N 0 0 191.156 1.601 10 0 ADAERN CCNc1cc(C(F)(F)F)ncn1 575494370 410069834 /nfs/dbraw/zinc/06/98/34/410069834.db2.gz YKSLLABEOLOCJA-UHFFFAOYSA-N 0 0 191.156 1.927 10 0 ADAERN CNc1nc(C)nc(SC(C)C)n1 575494384 410069863 /nfs/dbraw/zinc/06/98/63/410069863.db2.gz YREVSXBIJSASRG-UHFFFAOYSA-N 0 0 198.295 1.722 10 0 ADAERN CC1CC(CNc2ncc(N)s2)C1 575494046 410069869 /nfs/dbraw/zinc/06/98/69/410069869.db2.gz UHMRHZVOVANSED-UHFFFAOYSA-N 0 0 197.307 2.183 10 0 ADAERN CC1CC(CN2C(=S)N=NC2N)C1 575494451 410069907 /nfs/dbraw/zinc/06/99/07/410069907.db2.gz XJENJJGEGHFNTA-UHFFFAOYSA-N 0 0 198.295 1.195 10 0 ADAERN Cc1cc(N)nn1C[C@@H]1CC1(F)F 575494767 410069930 /nfs/dbraw/zinc/06/99/30/410069930.db2.gz PXNGYWRJBWJTND-LURJTMIESA-N 0 0 187.193 1.429 10 0 ADAERN CCNc1nc(C)nc(C(C)C)n1 575493244 410070000 /nfs/dbraw/zinc/07/00/00/410070000.db2.gz QATVFCMTPBULNX-UHFFFAOYSA-N 0 0 180.255 1.735 10 0 ADAERN C/C=C/CNc1nc(F)ncc1C 575493809 410070052 /nfs/dbraw/zinc/07/00/52/410070052.db2.gz UVRVEYJRXAXPKB-ONEGZZNKSA-N 0 0 181.214 1.912 10 0 ADAERN Cc1cnc(F)nc1NC1CCC1 575493628 410070070 /nfs/dbraw/zinc/07/00/70/410070070.db2.gz SHYPPNKTZMKGDL-UHFFFAOYSA-N 0 0 181.214 1.889 10 0 ADAERN Cc1cn(C[C@@H]2CC2(F)F)nc1N 575495088 410070135 /nfs/dbraw/zinc/07/01/35/410070135.db2.gz WNJYTPKKONMCRV-LURJTMIESA-N 0 0 187.193 1.429 10 0 ADAERN Cc1cn(C[C@H]2CC2(F)F)nc1N 575495089 410070198 /nfs/dbraw/zinc/07/01/98/410070198.db2.gz WNJYTPKKONMCRV-ZCFIWIBFSA-N 0 0 187.193 1.429 10 0 ADAERN Cc1cnc(F)nc1NCC(C)C 575493734 410070205 /nfs/dbraw/zinc/07/02/05/410070205.db2.gz TWWMPHHYJONXOJ-UHFFFAOYSA-N 0 0 183.230 1.992 10 0 ADAERN Cc1cnc(F)nc1NCC1CC1 575494315 410070339 /nfs/dbraw/zinc/07/03/39/410070339.db2.gz XNZPSQCNRAATHW-UHFFFAOYSA-N 0 0 181.214 1.746 10 0 ADAERN Cc1cc(N)nn1C[C@H]1CC1(F)F 575494768 410070385 /nfs/dbraw/zinc/07/03/85/410070385.db2.gz PXNGYWRJBWJTND-ZCFIWIBFSA-N 0 0 187.193 1.429 10 0 ADAERN c1nnc(NC2CC3(CCC3)C2)s1 575496051 410071263 /nfs/dbraw/zinc/07/12/63/410071263.db2.gz IOAHQKVPKDVASK-UHFFFAOYSA-N 0 0 195.291 2.283 10 0 ADAERN CNc1ccc(C2(Cl)CC2)nn1 575500450 410072063 /nfs/dbraw/zinc/07/20/63/410072063.db2.gz DXOROPGYWNSLJT-UHFFFAOYSA-N 0 0 183.642 1.746 10 0 ADAERN CCNc1ccc(C2(Cl)CC2)nn1 575500448 410072188 /nfs/dbraw/zinc/07/21/88/410072188.db2.gz DVVMSFQKGIIIFU-UHFFFAOYSA-N 0 0 197.669 2.136 10 0 ADAERN CCNc1cc(C2(Cl)CC2)[nH]n1 575499986 410072351 /nfs/dbraw/zinc/07/23/51/410072351.db2.gz BKBKTWWXJHWEJN-UHFFFAOYSA-N 0 0 185.658 2.069 10 0 ADAERN CC(C)Nc1cc(C2(Cl)CC2)[nH]n1 575501474 410073418 /nfs/dbraw/zinc/07/34/18/410073418.db2.gz MDGHTXYRAVSPHS-UHFFFAOYSA-N 0 0 199.685 2.458 10 0 ADAERN C[C@H](c1nc(N)n[nH]1)C1CCC1 575500949 410073574 /nfs/dbraw/zinc/07/35/74/410073574.db2.gz IHARPBINNVYIFI-YFKPBYRVSA-N 0 0 166.228 1.291 10 0 ADAERN CCNc1nccc(C2(Cl)CC2)n1 575501287 410073613 /nfs/dbraw/zinc/07/36/13/410073613.db2.gz WQBQGJQAHDVOEZ-UHFFFAOYSA-N 0 0 197.669 2.136 10 0 ADAERN Nc1cc([C@@H]2C[C@@H]3C[C@@H]3C2)[nH]n1 575501272 410073637 /nfs/dbraw/zinc/07/36/37/410073637.db2.gz VSKLLLUWSBLKDL-ZMONIFLSSA-N 0 0 163.224 1.505 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H]1C[C@@H]2C[C@@H]2C1 575500899 410073689 /nfs/dbraw/zinc/07/36/89/410073689.db2.gz PXUUWXKQOZJHAO-JIGDXULJSA-N 0 0 177.251 1.814 10 0 ADAERN C[C@@H](c1nnc(N)o1)C1CCC1 575501853 410073766 /nfs/dbraw/zinc/07/37/66/410073766.db2.gz QJOLLWVFHGGJOF-RXMQYKEDSA-N 0 0 167.212 1.555 10 0 ADAERN ClC1(c2cc(NC3CC3)n[nH]2)CC1 575502740 410073922 /nfs/dbraw/zinc/07/39/22/410073922.db2.gz YVICFAIOTOHQRK-UHFFFAOYSA-N 0 0 197.669 2.212 10 0 ADAERN C[C@@H](c1cc(N)no1)C1CCC1 575501686 410073935 /nfs/dbraw/zinc/07/39/35/410073935.db2.gz OCAKDMRRXZJYSW-ZCFIWIBFSA-N 0 0 166.224 2.160 10 0 ADAERN C[C@H](c1cc(N)no1)C1CCC1 575501685 410073957 /nfs/dbraw/zinc/07/39/57/410073957.db2.gz OCAKDMRRXZJYSW-LURJTMIESA-N 0 0 166.224 2.160 10 0 ADAERN Cc1c(N)noc1[C@@H]1C[C@@H]2C[C@@H]2C1 575501489 410073966 /nfs/dbraw/zinc/07/39/66/410073966.db2.gz MJMXSCPCAXERQR-JIGDXULJSA-N 0 0 178.235 2.079 10 0 ADAERN C[C@H](c1nnc(N)s1)C1CCC1 575502090 410074001 /nfs/dbraw/zinc/07/40/01/410074001.db2.gz TZLBTMYROUVEGK-YFKPBYRVSA-N 0 0 183.280 2.024 10 0 ADAERN C[C@@H](c1nc(N)n[nH]1)C1CCC1 575500947 410074078 /nfs/dbraw/zinc/07/40/78/410074078.db2.gz IHARPBINNVYIFI-RXMQYKEDSA-N 0 0 166.228 1.291 10 0 ADAERN Nc1nnc([C@@H]2C[C@@H]3C[C@@H]3C2)s1 575500901 410074152 /nfs/dbraw/zinc/07/41/52/410074152.db2.gz PYGQIQPFMVQWFY-FMCRUOTFSA-N 0 0 181.264 1.634 10 0 ADAERN C[C@@H](c1nc(N)no1)C1CCC1 575501553 410074179 /nfs/dbraw/zinc/07/41/79/410074179.db2.gz NHDPAAYUQIVGEA-RXMQYKEDSA-N 0 0 167.212 1.555 10 0 ADAERN Nc1cc([C@@H]2C[C@@H]3C[C@@H]3C2)on1 575501351 410074186 /nfs/dbraw/zinc/07/41/86/410074186.db2.gz KGKBGCIGHRTZSO-ZMONIFLSSA-N 0 0 164.208 1.770 10 0 ADAERN C[C@@H](c1nnc(N)s1)C1CCC1 575502084 410074213 /nfs/dbraw/zinc/07/42/13/410074213.db2.gz TZLBTMYROUVEGK-RXMQYKEDSA-N 0 0 183.280 2.024 10 0 ADAERN C[C@@H](c1cc(N)n[nH]1)C1CCC1 575501995 410074237 /nfs/dbraw/zinc/07/42/37/410074237.db2.gz SIYVRYSSPCYFMR-ZCFIWIBFSA-N 0 0 165.240 1.896 10 0 ADAERN C[C@H](c1nnc(N)o1)C1CCC1 575501854 410074308 /nfs/dbraw/zinc/07/43/08/410074308.db2.gz QJOLLWVFHGGJOF-YFKPBYRVSA-N 0 0 167.212 1.555 10 0 ADAERN C[C@H](c1nc(N)no1)C1CCC1 575501554 410074304 /nfs/dbraw/zinc/07/43/04/410074304.db2.gz NHDPAAYUQIVGEA-YFKPBYRVSA-N 0 0 167.212 1.555 10 0 ADAERN Cc1cc(C2(Cl)CC2)nc(N)n1 575502376 410074328 /nfs/dbraw/zinc/07/43/28/410074328.db2.gz WGNAKKOOERTGDF-UHFFFAOYSA-N 0 0 183.642 1.595 10 0 ADAERN CNc1nccc(C2(Cl)CC2)n1 575502219 410074334 /nfs/dbraw/zinc/07/43/34/410074334.db2.gz UWJQTGUMVUUBRW-UHFFFAOYSA-N 0 0 183.642 1.746 10 0 ADAERN Nc1nsc([C@@H]2C[C@@H]3C[C@@H]3C2)n1 575501476 410074452 /nfs/dbraw/zinc/07/44/52/410074452.db2.gz MEEUYEZAVYARIM-FMCRUOTFSA-N 0 0 181.264 1.634 10 0 ADAERN C[C@H](c1cc(N)n[nH]1)C1CCC1 575501994 410074471 /nfs/dbraw/zinc/07/44/71/410074471.db2.gz SIYVRYSSPCYFMR-LURJTMIESA-N 0 0 165.240 1.896 10 0 ADAERN C[C@H](c1nc(N)ns1)C1CCC1 575504372 410075295 /nfs/dbraw/zinc/07/52/95/410075295.db2.gz IWAOHFMAAQVAKJ-YFKPBYRVSA-N 0 0 183.280 2.024 10 0 ADAERN CCn1cc(C(F)(F)F)nc1N 575504551 410075383 /nfs/dbraw/zinc/07/53/83/410075383.db2.gz AALNYLGAEHAREG-UHFFFAOYSA-N 0 0 179.145 1.504 10 0 ADAERN Fc1nccc(N[C@@H]2C=CCC2)n1 575503666 410075654 /nfs/dbraw/zinc/07/56/54/410075654.db2.gz XLKXITUQUOMAHS-SSDOTTSWSA-N 0 0 179.198 1.746 10 0 ADAERN C1=C[C@@H](Nc2cccnn2)CC1 575503249 410075684 /nfs/dbraw/zinc/07/56/84/410075684.db2.gz IIHLMSOXNBJGDQ-MRVPVSSYSA-N 0 0 161.208 1.607 10 0 ADAERN C[C@@H](c1nc(N)ns1)C1CCC1 575504371 410075923 /nfs/dbraw/zinc/07/59/23/410075923.db2.gz IWAOHFMAAQVAKJ-RXMQYKEDSA-N 0 0 183.280 2.024 10 0 ADAERN Cc1cnnc(N[C@H]2C=CCC2)c1 575503122 410076092 /nfs/dbraw/zinc/07/60/92/410076092.db2.gz CTCJJGHMELOKFZ-VIFPVBQESA-N 0 0 175.235 1.916 10 0 ADAERN Fc1nccc(N[C@H]2C=CCC2)n1 575503667 410076317 /nfs/dbraw/zinc/07/63/17/410076317.db2.gz XLKXITUQUOMAHS-ZETCQYMHSA-N 0 0 179.198 1.746 10 0 ADAERN C1=C[C@H](Nc2cccnn2)CC1 575503250 410076357 /nfs/dbraw/zinc/07/63/57/410076357.db2.gz IIHLMSOXNBJGDQ-QMMMGPOBSA-N 0 0 161.208 1.607 10 0 ADAERN C1=C[C@@H](Nc2nncs2)CC1 575503031 410076386 /nfs/dbraw/zinc/07/63/86/410076386.db2.gz AJJLIFVRTSKLHU-ZCFIWIBFSA-N 0 0 167.237 1.669 10 0 ADAERN Cc1cnnc(N[C@@H]2C=CCC2)c1 575503121 410076523 /nfs/dbraw/zinc/07/65/23/410076523.db2.gz CTCJJGHMELOKFZ-SECBINFHSA-N 0 0 175.235 1.916 10 0 ADAERN C1=C[C@H](Nc2nncs2)CC1 575503030 410076582 /nfs/dbraw/zinc/07/65/82/410076582.db2.gz AJJLIFVRTSKLHU-LURJTMIESA-N 0 0 167.237 1.669 10 0 ADAERN CC(C)n1cc(C(F)(F)F)nc1N 575505311 410077853 /nfs/dbraw/zinc/07/78/53/410077853.db2.gz RZTCYSOZOXMEIA-UHFFFAOYSA-N 0 0 193.172 2.065 10 0 ADAERN CC(F)(F)CNc1nncs1 575507577 410077948 /nfs/dbraw/zinc/07/79/48/410077948.db2.gz YEZRCTNLSJYIMW-UHFFFAOYSA-N 0 0 179.195 1.605 10 0 ADAERN C[C@@H](F)CCNc1nncs1 575506668 410078070 /nfs/dbraw/zinc/07/80/70/410078070.db2.gz OGAQBVFVXMHTPS-RXMQYKEDSA-N 0 0 175.232 1.698 10 0 ADAERN C[C@H](F)CCNc1nncs1 575506669 410078129 /nfs/dbraw/zinc/07/81/29/410078129.db2.gz OGAQBVFVXMHTPS-YFKPBYRVSA-N 0 0 175.232 1.698 10 0 ADAERN Cc1cn(C)nc1NCC(F)(F)F 575506518 410078215 /nfs/dbraw/zinc/07/82/15/410078215.db2.gz LBBZQIUGIPVHSM-UHFFFAOYSA-N 0 0 193.172 1.703 10 0 ADAERN Nc1ncc2c(n1)CCC1(CC1)C2 575512024 410079039 /nfs/dbraw/zinc/07/90/39/410079039.db2.gz KGFBVKOHMIUDSG-UHFFFAOYSA-N 0 0 175.235 1.328 10 0 ADAERN Cc1ccnc(N)c1-c1cncs1 575513936 410079130 /nfs/dbraw/zinc/07/91/30/410079130.db2.gz CHSOGZJCALARLH-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 ADAERN Cc1ncsc1-c1ccc(N)nn1 575514212 410079181 /nfs/dbraw/zinc/07/91/81/410079181.db2.gz GFFJLXOSAXWIQI-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN CNc1n[nH]c2c1CC1(CC2)CC1 575512912 410079229 /nfs/dbraw/zinc/07/92/29/410079229.db2.gz VGBNHZAJBKIGGA-UHFFFAOYSA-N 0 0 177.251 1.720 10 0 ADAERN Nc1nc2c(s1)[C@H]1CC[C@@H](C2)C1 575513012 410079259 /nfs/dbraw/zinc/07/92/59/410079259.db2.gz ZBKIUNCSNZDRPU-RITPCOANSA-N 0 0 180.276 2.165 10 0 ADAERN CC1(C)CC(CNc2nncs2)C1 575513174 410079324 /nfs/dbraw/zinc/07/93/24/410079324.db2.gz MPJQYLZGAMNMTL-UHFFFAOYSA-N 0 0 197.307 2.386 10 0 ADAERN CNc1nc2c(s1)CC1(CC2)CC1 575511569 410079376 /nfs/dbraw/zinc/07/93/76/410079376.db2.gz GHDGRFSNAYSKHW-UHFFFAOYSA-N 0 0 194.303 2.454 10 0 ADAERN Nc1nc2c(o1)CC1(CC2)CC1 575512629 410079512 /nfs/dbraw/zinc/07/95/12/410079512.db2.gz RNPGPIMVZQOWHF-UHFFFAOYSA-N 0 0 164.208 1.526 10 0 ADAERN Cc1cc(N)ncc1-c1cncs1 575513960 410079586 /nfs/dbraw/zinc/07/95/86/410079586.db2.gz CWDGMGYQVMKFMC-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 ADAERN Nc1nc2c(s1)CC1(CC2)CC1 575513076 410079613 /nfs/dbraw/zinc/07/96/13/410079613.db2.gz YTBLIHUARQFLCP-UHFFFAOYSA-N 0 0 180.276 1.994 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H]1C[C@@H]1C1CC1 575513932 410079624 /nfs/dbraw/zinc/07/96/24/410079624.db2.gz CHBJPLPVGTZKEY-HTQZYQBOSA-N 0 0 177.251 1.814 10 0 ADAERN Cc1c(F)ncnc1NCC(C)C 575514003 410079632 /nfs/dbraw/zinc/07/96/32/410079632.db2.gz HSAFVDFPLAIPIX-UHFFFAOYSA-N 0 0 183.230 1.992 10 0 ADAERN Cc1c(N)n[nH]c1[C@H]1C[C@H]1C1CC1 575513935 410079641 /nfs/dbraw/zinc/07/96/41/410079641.db2.gz CHBJPLPVGTZKEY-YUMQZZPRSA-N 0 0 177.251 1.814 10 0 ADAERN Cc1c(N)n[nH]c1[C@@H]1C[C@H]1C1CC1 575513933 410079679 /nfs/dbraw/zinc/07/96/79/410079679.db2.gz CHBJPLPVGTZKEY-JGVFFNPUSA-N 0 0 177.251 1.814 10 0 ADAERN Nc1cc(-c2cncs2)ncn1 575513945 410079772 /nfs/dbraw/zinc/07/97/72/410079772.db2.gz CMUJNAOYGVEFNQ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN Cc1c(N)n[nH]c1[C@H]1C[C@@H]1C1CC1 575513934 410079843 /nfs/dbraw/zinc/07/98/43/410079843.db2.gz CHBJPLPVGTZKEY-SFYZADRCSA-N 0 0 177.251 1.814 10 0 ADAERN Nc1cc2c(nn1)CCC1(CC1)C2 575512914 410079909 /nfs/dbraw/zinc/07/99/09/410079909.db2.gz VPLZNMWDQAFDJT-UHFFFAOYSA-N 0 0 175.235 1.328 10 0 ADAERN Cc1cc(-c2cncs2)nc(N)n1 575515935 410080815 /nfs/dbraw/zinc/08/08/15/410080815.db2.gz VUQPBEAGZGGBNG-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Fc1nccc(NC2CCCC2)n1 575517720 410080857 /nfs/dbraw/zinc/08/08/57/410080857.db2.gz ICVPEYYHQXAWKB-UHFFFAOYSA-N 0 0 181.214 1.970 10 0 ADAERN CNc1ncc(-c2cncs2)cn1 575516025 410080863 /nfs/dbraw/zinc/08/08/63/410080863.db2.gz WSRRLYHATUPPOL-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN Nc1cc([C@H]2C[C@@H]2C2CC2)[nH]n1 575515695 410080868 /nfs/dbraw/zinc/08/08/68/410080868.db2.gz SIWNYTWXRLGAGS-RQJHMYQMSA-N 0 0 163.224 1.505 10 0 ADAERN Cc1c(F)ncnc1NCC1CC1 575515204 410080874 /nfs/dbraw/zinc/08/08/74/410080874.db2.gz PGRSOBHDRXVQRW-UHFFFAOYSA-N 0 0 181.214 1.746 10 0 ADAERN C[C@@H]1C[C@@H]1CNc1ccnc(F)n1 575516884 410080884 /nfs/dbraw/zinc/08/08/84/410080884.db2.gz ARJVODKBFNCRSD-RNFRBKRXSA-N 0 0 181.214 1.684 10 0 ADAERN C[C@H]1CC[C@H]1Nc1ccnc(F)n1 575516981 410080898 /nfs/dbraw/zinc/08/08/98/410080898.db2.gz BVALGWOPQZWATP-NKWVEPMBSA-N 0 0 181.214 1.826 10 0 ADAERN Nc1ncc(-c2cncs2)s1 575515699 410080938 /nfs/dbraw/zinc/08/09/38/410080938.db2.gz SPUXQZWWHCNMQE-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN Cc1nc(N)ccc1-c1cncs1 575515731 410080944 /nfs/dbraw/zinc/08/09/44/410080944.db2.gz SXTHKGGNLHHUQA-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 ADAERN C[C@@H]1CC[C@@H]1Nc1ccnc(F)n1 575516983 410080971 /nfs/dbraw/zinc/08/09/71/410080971.db2.gz BVALGWOPQZWATP-RQJHMYQMSA-N 0 0 181.214 1.826 10 0 ADAERN Cc1cc(-c2cncs2)cnc1N 575515821 410081037 /nfs/dbraw/zinc/08/10/37/410081037.db2.gz UYVPZGRLRCQKFM-UHFFFAOYSA-N 0 0 191.259 2.096 10 0 ADAERN C[C@H]1C[C@H]1CNc1ccnc(F)n1 575516882 410081044 /nfs/dbraw/zinc/08/10/44/410081044.db2.gz ARJVODKBFNCRSD-BQBZGAKWSA-N 0 0 181.214 1.684 10 0 ADAERN Fc1nccc(NCC2CCC2)n1 575517694 410081013 /nfs/dbraw/zinc/08/10/13/410081013.db2.gz HMAOAHYHJNDEIT-UHFFFAOYSA-N 0 0 181.214 1.828 10 0 ADAERN Cc1ncsc1-c1ccnc(N)n1 575514622 410081024 /nfs/dbraw/zinc/08/10/24/410081024.db2.gz JJMXVEHKCQTDDK-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@@H]1CC[C@H]1Nc1ccnc(F)n1 575516982 410081056 /nfs/dbraw/zinc/08/10/56/410081056.db2.gz BVALGWOPQZWATP-RNFRBKRXSA-N 0 0 181.214 1.826 10 0 ADAERN Nc1nnc([C@@H]2C[C@@H]2C2CC2)s1 575515350 410081065 /nfs/dbraw/zinc/08/10/65/410081065.db2.gz OGUMPTJYIKMBDO-PHDIDXHHSA-N 0 0 181.264 1.634 10 0 ADAERN Nc1nnc([C@H]2C[C@@H]2C2CC2)s1 575515352 410081069 /nfs/dbraw/zinc/08/10/69/410081069.db2.gz OGUMPTJYIKMBDO-RITPCOANSA-N 0 0 181.264 1.634 10 0 ADAERN Nc1nnc([C@@H]2C[C@H]2C2CC2)s1 575515345 410081071 /nfs/dbraw/zinc/08/10/71/410081071.db2.gz OGUMPTJYIKMBDO-NTSWFWBYSA-N 0 0 181.264 1.634 10 0 ADAERN CC1(CNc2ccnc(F)n2)CC1 575517773 410081080 /nfs/dbraw/zinc/08/10/80/410081080.db2.gz IVTIHQDUGPUHID-UHFFFAOYSA-N 0 0 181.214 1.828 10 0 ADAERN Nc1ncc(F)c(-c2cncs2)n1 575516037 410081088 /nfs/dbraw/zinc/08/10/88/410081088.db2.gz XCAJLOSVAFKQLJ-UHFFFAOYSA-N 0 0 196.210 1.321 10 0 ADAERN Cc1ncsc1-c1cc(N)ncn1 575516244 410081115 /nfs/dbraw/zinc/08/11/15/410081115.db2.gz YPTTZLUULAFMKY-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1cc([C@H]2C[C@H]2C2CC2)[nH]n1 575515691 410081118 /nfs/dbraw/zinc/08/11/18/410081118.db2.gz SIWNYTWXRLGAGS-BQBZGAKWSA-N 0 0 163.224 1.505 10 0 ADAERN CC(C)=CCNc1ccnc(F)n1 575517347 410081133 /nfs/dbraw/zinc/08/11/33/410081133.db2.gz DTQDAQLPMJPITG-UHFFFAOYSA-N 0 0 181.214 1.994 10 0 ADAERN CCCNc1ncnc(F)c1C 575515800 410081140 /nfs/dbraw/zinc/08/11/40/410081140.db2.gz TYJJGKZTTRSCDG-UHFFFAOYSA-N 0 0 169.203 1.746 10 0 ADAERN CC(C)[C@H](C)Nc1ccnc(F)n1 575517410 410081147 /nfs/dbraw/zinc/08/11/47/410081147.db2.gz GLKBGWPHOUBXJB-ZETCQYMHSA-N 0 0 183.230 2.072 10 0 ADAERN CNc1cc(-c2cncs2)ncn1 575514761 410081178 /nfs/dbraw/zinc/08/11/78/410081178.db2.gz KOJHLRHASDJQRS-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN Cc1c(N)ncnc1-c1cncs1 575515866 410081199 /nfs/dbraw/zinc/08/11/99/410081199.db2.gz VJZKLHRPHFRKKH-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1ncc(-c2cncs2)cn1 575514552 410081208 /nfs/dbraw/zinc/08/12/08/410081208.db2.gz IWVKYMQRCKXLMY-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCNc1cc(C(F)(F)F)cnn1 575517284 410081214 /nfs/dbraw/zinc/08/12/14/410081214.db2.gz DKELWSDMDJDUPB-UHFFFAOYSA-N 0 0 191.156 1.927 10 0 ADAERN Nc1cc([C@@H]2C[C@H]2C2CC2)[nH]n1 575515692 410081223 /nfs/dbraw/zinc/08/12/23/410081223.db2.gz SIWNYTWXRLGAGS-NKWVEPMBSA-N 0 0 163.224 1.505 10 0 ADAERN CC1(C)C[C@H]1Nc1ccnc(F)n1 575517014 410081241 /nfs/dbraw/zinc/08/12/41/410081241.db2.gz CGETWYPXKDICMQ-ZCFIWIBFSA-N 0 0 181.214 1.826 10 0 ADAERN CC1(C)C[C@@H]1Nc1ccnc(F)n1 575517013 410081260 /nfs/dbraw/zinc/08/12/60/410081260.db2.gz CGETWYPXKDICMQ-LURJTMIESA-N 0 0 181.214 1.826 10 0 ADAERN C/C=C/CNc1ncnc(F)c1C 575516881 410081268 /nfs/dbraw/zinc/08/12/68/410081268.db2.gz AREFMIUYHURQHJ-ONEGZZNKSA-N 0 0 181.214 1.912 10 0 ADAERN Nc1nnc([C@H]2C[C@H]2C2CC2)s1 575515354 410081321 /nfs/dbraw/zinc/08/13/21/410081321.db2.gz OGUMPTJYIKMBDO-WDSKDSINSA-N 0 0 181.264 1.634 10 0 ADAERN C[C@@H]1C[C@H]1CNc1ccnc(F)n1 575516885 410081342 /nfs/dbraw/zinc/08/13/42/410081342.db2.gz ARJVODKBFNCRSD-RQJHMYQMSA-N 0 0 181.214 1.684 10 0 ADAERN Fc1nccc(NC2CCC2)n1 575517390 410081351 /nfs/dbraw/zinc/08/13/51/410081351.db2.gz FCSHXJARUFVFTD-UHFFFAOYSA-N 0 0 167.187 1.580 10 0 ADAERN C[C@H]1CC[C@@H]1Nc1ccnc(F)n1 575516980 410081377 /nfs/dbraw/zinc/08/13/77/410081377.db2.gz BVALGWOPQZWATP-BQBZGAKWSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@H]1C[C@@H]1CNc1ccnc(F)n1 575516883 410081408 /nfs/dbraw/zinc/08/14/08/410081408.db2.gz ARJVODKBFNCRSD-NKWVEPMBSA-N 0 0 181.214 1.684 10 0 ADAERN CC(C)[C@@H](C)Nc1ccnc(F)n1 575517409 410081414 /nfs/dbraw/zinc/08/14/14/410081414.db2.gz GLKBGWPHOUBXJB-SSDOTTSWSA-N 0 0 183.230 2.072 10 0 ADAERN Cc1cnc(N)nc1-c1cncs1 575515662 410081455 /nfs/dbraw/zinc/08/14/55/410081455.db2.gz RYFWXWCOAHKCDQ-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Nc1cc([C@@H]2C[C@@H]2C2CC2)[nH]n1 575515694 410081469 /nfs/dbraw/zinc/08/14/69/410081469.db2.gz SIWNYTWXRLGAGS-RNFRBKRXSA-N 0 0 163.224 1.505 10 0 ADAERN CCNc1nc(F)ncc1Cl 575519929 410082425 /nfs/dbraw/zinc/08/24/25/410082425.db2.gz ZQRVVLNENAFBDT-UHFFFAOYSA-N 0 0 175.594 1.701 10 0 ADAERN CC(C)Nc1nc(F)ncc1Cl 575519141 410082469 /nfs/dbraw/zinc/08/24/69/410082469.db2.gz GDTMUVOLCROGFK-UHFFFAOYSA-N 0 0 189.621 2.089 10 0 ADAERN CNc1nc(SC)cc(C(C)C)n1 575519200 410082480 /nfs/dbraw/zinc/08/24/80/410082480.db2.gz FLCHKBHQJREURM-UHFFFAOYSA-N 0 0 197.307 2.364 10 0 ADAERN Cc1cn(C)nc1N[C@H]1CCSC1 575518136 410082492 /nfs/dbraw/zinc/08/24/92/410082492.db2.gz LIQSKSOMEMLZKK-QMMMGPOBSA-N 0 0 197.307 1.646 10 0 ADAERN C[C@@H](Nc1ccnc(F)n1)C1CC1 575518834 410082583 /nfs/dbraw/zinc/08/25/83/410082583.db2.gz WEYTYWXDTCWRER-ZCFIWIBFSA-N 0 0 181.214 1.826 10 0 ADAERN C[C@H](Nc1ccnc(F)n1)C1CC1 575518833 410082636 /nfs/dbraw/zinc/08/26/36/410082636.db2.gz WEYTYWXDTCWRER-LURJTMIESA-N 0 0 181.214 1.826 10 0 ADAERN FCCNc1nc(F)ncc1Cl 575519266 410082666 /nfs/dbraw/zinc/08/26/66/410082666.db2.gz GTTWDLIAWFXOAC-UHFFFAOYSA-N 0 0 193.584 1.651 10 0 ADAERN CCCNc1nc(F)ncc1Cl 575519513 410082685 /nfs/dbraw/zinc/08/26/85/410082685.db2.gz KRFOYDUMBXNYQI-UHFFFAOYSA-N 0 0 189.621 2.091 10 0 ADAERN Cc1cn(C)nc1N[C@@H]1CCSC1 575518133 410082738 /nfs/dbraw/zinc/08/27/38/410082738.db2.gz LIQSKSOMEMLZKK-MRVPVSSYSA-N 0 0 197.307 1.646 10 0 ADAERN CC[C@@H]1C[C@@H]1Nc1ccnc(F)n1 575518692 410082763 /nfs/dbraw/zinc/08/27/63/410082763.db2.gz QJXFDCFDKOCOET-RQJHMYQMSA-N 0 0 181.214 1.826 10 0 ADAERN CC1CC(Nc2ccnc(F)n2)C1 575518994 410082848 /nfs/dbraw/zinc/08/28/48/410082848.db2.gz XZQIMUFDLUKYBJ-UHFFFAOYSA-N 0 0 181.214 1.826 10 0 ADAERN CNc1nc(OC)cc(C(C)C)n1 575519312 410082858 /nfs/dbraw/zinc/08/28/58/410082858.db2.gz IDLYXVUKGRPJCA-UHFFFAOYSA-N 0 0 181.239 1.650 10 0 ADAERN CC(C)CNc1ccnc(F)n1 575518738 410082899 /nfs/dbraw/zinc/08/28/99/410082899.db2.gz SIQSSBKCBQFYPF-UHFFFAOYSA-N 0 0 169.203 1.684 10 0 ADAERN CC(C)(C)CNc1ccnc(F)n1 575518087 410082931 /nfs/dbraw/zinc/08/29/31/410082931.db2.gz KHVLULKZIOMCLX-UHFFFAOYSA-N 0 0 183.230 2.074 10 0 ADAERN CCNc1nc(CF)cs1 575519144 410082954 /nfs/dbraw/zinc/08/29/54/410082954.db2.gz AROREQOFPQDLAL-UHFFFAOYSA-N 0 0 160.217 2.044 10 0 ADAERN CC[C@@H]1C[C@H]1Nc1ccnc(F)n1 575518691 410083333 /nfs/dbraw/zinc/08/33/33/410083333.db2.gz QJXFDCFDKOCOET-RNFRBKRXSA-N 0 0 181.214 1.826 10 0 ADAERN CNc1nc(F)nc2ccccc12 575518455 410083393 /nfs/dbraw/zinc/08/33/93/410083393.db2.gz OSDBEASXZXUXQQ-UHFFFAOYSA-N 0 0 177.182 1.811 10 0 ADAERN CNc1nc(CF)cs1 575519423 410083408 /nfs/dbraw/zinc/08/34/08/410083408.db2.gz UWZLTPYFOUALAH-UHFFFAOYSA-N 0 0 146.190 1.654 10 0 ADAERN C[C@@H](Nc1ccnc(F)n1)C(F)F 575518473 410083414 /nfs/dbraw/zinc/08/34/14/410083414.db2.gz PAABAHUIPYXBHP-SCSAIBSYSA-N 0 0 191.156 1.681 10 0 ADAERN Fc1nccc(NC2CC=CC2)n1 575518823 410083428 /nfs/dbraw/zinc/08/34/28/410083428.db2.gz VXTSUZDRNYZYKZ-UHFFFAOYSA-N 0 0 179.198 1.746 10 0 ADAERN CC[C@H]1C[C@@H]1Nc1ccnc(F)n1 575518689 410083516 /nfs/dbraw/zinc/08/35/16/410083516.db2.gz QJXFDCFDKOCOET-BQBZGAKWSA-N 0 0 181.214 1.826 10 0 ADAERN Fc1ncc(Cl)c(NC2CC2)n1 575518922 410083541 /nfs/dbraw/zinc/08/35/41/410083541.db2.gz BTWAFZBWGZRYOD-UHFFFAOYSA-N 0 0 187.605 1.843 10 0 ADAERN CNc1nc(SC)cc(C2CC2)n1 575519444 410083556 /nfs/dbraw/zinc/08/35/56/410083556.db2.gz WVHIXODIIIYIBY-UHFFFAOYSA-N 0 0 195.291 2.118 10 0 ADAERN Fc1nccc(NCC(F)(F)F)n1 575518961 410083587 /nfs/dbraw/zinc/08/35/87/410083587.db2.gz XEAVZAOKSMUAJU-UHFFFAOYSA-N 0 0 195.119 1.590 10 0 ADAERN CC[C@H]1C[C@H]1Nc1ccnc(F)n1 575518690 410083595 /nfs/dbraw/zinc/08/35/95/410083595.db2.gz QJXFDCFDKOCOET-NKWVEPMBSA-N 0 0 181.214 1.826 10 0 ADAERN C/C=C/CNc1ccnc(F)n1 575518361 410083613 /nfs/dbraw/zinc/08/36/13/410083613.db2.gz NVJWHUIKOQFMJR-NSCUHMNNSA-N 0 0 167.187 1.604 10 0 ADAERN C[C@H](Nc1ccnc(F)n1)C(F)F 575518470 410083702 /nfs/dbraw/zinc/08/37/02/410083702.db2.gz PAABAHUIPYXBHP-BYPYZUCNSA-N 0 0 191.156 1.681 10 0 ADAERN CCc1cc(SC)nc(NC)n1 575519216 410083723 /nfs/dbraw/zinc/08/37/23/410083723.db2.gz HDGSAWDMHGWDIS-UHFFFAOYSA-N 0 0 183.280 1.803 10 0 ADAERN C[C@]1(Cn2ccc(N)n2)CC1(F)F 575520261 410084381 /nfs/dbraw/zinc/08/43/81/410084381.db2.gz JGYDCXQBGYKSTK-SSDOTTSWSA-N 0 0 187.193 1.511 10 0 ADAERN C[C@@]1(Cn2ccc(N)n2)CC1(F)F 575520262 410084433 /nfs/dbraw/zinc/08/44/33/410084433.db2.gz JGYDCXQBGYKSTK-ZETCQYMHSA-N 0 0 187.193 1.511 10 0 ADAERN Nc1noc(-c2cnccn2)c1Cl 575520546 410084447 /nfs/dbraw/zinc/08/44/47/410084447.db2.gz APEFFAAFWCFXKR-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN Nc1nsc([C@@H]2C[C@@H]2C2CC2)n1 575522004 410085321 /nfs/dbraw/zinc/08/53/21/410085321.db2.gz WWBQWCLNOOGONS-PHDIDXHHSA-N 0 0 181.264 1.634 10 0 ADAERN Cc1c(N)noc1[C@H]1C[C@H]1C1CC1 575522165 410085337 /nfs/dbraw/zinc/08/53/37/410085337.db2.gz YXTGFZLCSGBRGD-YUMQZZPRSA-N 0 0 178.235 2.079 10 0 ADAERN Nc1nsc([C@@H]2C[C@H]2C2CC2)n1 575522001 410085345 /nfs/dbraw/zinc/08/53/45/410085345.db2.gz WWBQWCLNOOGONS-NTSWFWBYSA-N 0 0 181.264 1.634 10 0 ADAERN Cc1c(N)noc1[C@H]1C[C@@H]1C1CC1 575522164 410085406 /nfs/dbraw/zinc/08/54/06/410085406.db2.gz YXTGFZLCSGBRGD-SFYZADRCSA-N 0 0 178.235 2.079 10 0 ADAERN Nc1cc([C@H]2C[C@H]2C2CC2)on1 575521719 410085436 /nfs/dbraw/zinc/08/54/36/410085436.db2.gz HTPIOZXEPUASJB-BQBZGAKWSA-N 0 0 164.208 1.770 10 0 ADAERN Cc1c(N)noc1[C@@H]1C[C@@H]1C1CC1 575522162 410085514 /nfs/dbraw/zinc/08/55/14/410085514.db2.gz YXTGFZLCSGBRGD-HTQZYQBOSA-N 0 0 178.235 2.079 10 0 ADAERN Nc1cc([C@@H]2C[C@@H]2C2CC2)on1 575521721 410085572 /nfs/dbraw/zinc/08/55/72/410085572.db2.gz HTPIOZXEPUASJB-RNFRBKRXSA-N 0 0 164.208 1.770 10 0 ADAERN Nc1ncc2c(n1)CCC(F)(F)C2 575521311 410085557 /nfs/dbraw/zinc/08/55/57/410085557.db2.gz ZKRNDDJPMZKQDF-UHFFFAOYSA-N 0 0 185.177 1.183 10 0 ADAERN c1nnc(NC[C@H]2C[C@@H]3C[C@@H]3C2)s1 575521777 410085644 /nfs/dbraw/zinc/08/56/44/410085644.db2.gz JZCPFMLGDIVAHZ-RNLVFQAGSA-N 0 0 195.291 1.996 10 0 ADAERN Nc1nsc([C@H]2C[C@@H]2C2CC2)n1 575522005 410085745 /nfs/dbraw/zinc/08/57/45/410085745.db2.gz WWBQWCLNOOGONS-RITPCOANSA-N 0 0 181.264 1.634 10 0 ADAERN Nc1cc([C@H]2C[C@@H]2C2CC2)on1 575521722 410085770 /nfs/dbraw/zinc/08/57/70/410085770.db2.gz HTPIOZXEPUASJB-RQJHMYQMSA-N 0 0 164.208 1.770 10 0 ADAERN Nc1nsc([C@H]2C[C@H]2C2CC2)n1 575522006 410085833 /nfs/dbraw/zinc/08/58/33/410085833.db2.gz WWBQWCLNOOGONS-WDSKDSINSA-N 0 0 181.264 1.634 10 0 ADAERN Cc1c(N)noc1[C@@H]1C[C@H]1C1CC1 575522163 410085844 /nfs/dbraw/zinc/08/58/44/410085844.db2.gz YXTGFZLCSGBRGD-JGVFFNPUSA-N 0 0 178.235 2.079 10 0 ADAERN Nc1cc([C@@H]2C[C@H]2C2CC2)on1 575521720 410085867 /nfs/dbraw/zinc/08/58/67/410085867.db2.gz HTPIOZXEPUASJB-NKWVEPMBSA-N 0 0 164.208 1.770 10 0 ADAERN CC(C)C(=O)Nc1ccnc(N)c1 575525480 410087174 /nfs/dbraw/zinc/08/71/74/410087174.db2.gz GRKZDGRMHBODGU-UHFFFAOYSA-N 0 0 179.223 1.258 10 0 ADAERN CO[C@@H]1C[C@@H]1c1csc(N)n1 575531263 410089679 /nfs/dbraw/zinc/08/96/79/410089679.db2.gz IDNZFXWAIJYBED-INEUFUBQSA-N 0 0 170.237 1.228 10 0 ADAERN c1nnc(NC2(C3CCC3)CC2)s1 575525476 410086999 /nfs/dbraw/zinc/08/69/99/410086999.db2.gz GONIBOGKYQWOFO-UHFFFAOYSA-N 0 0 195.291 2.283 10 0 ADAERN c1nnc(NC2(C3CC3)CC2)s1 575525766 410087065 /nfs/dbraw/zinc/08/70/65/410087065.db2.gz KHMMAMKINQBYQP-UHFFFAOYSA-N 0 0 181.264 1.893 10 0 ADAERN CC(F)(F)C1(c2nc(N)no2)CC1 575524500 410087092 /nfs/dbraw/zinc/08/70/92/410087092.db2.gz COUASUMTPWMJPT-UHFFFAOYSA-N 0 0 189.165 1.339 10 0 ADAERN c1cnnc(NC2(C3CC3)CC2)c1 575526469 410087127 /nfs/dbraw/zinc/08/71/27/410087127.db2.gz SOGHSYPDRIESOQ-UHFFFAOYSA-N 0 0 175.235 1.831 10 0 ADAERN Cc1cn(C)nc1N[C@H](C)C1CC1 575527739 410087162 /nfs/dbraw/zinc/08/71/62/410087162.db2.gz APKGYTIPKRUTMU-MRVPVSSYSA-N 0 0 179.267 1.939 10 0 ADAERN CC(F)(F)C1(c2nnc(N)o2)CC1 575525391 410087204 /nfs/dbraw/zinc/08/72/04/410087204.db2.gz JUPQOWBKKDSQOO-UHFFFAOYSA-N 0 0 189.165 1.339 10 0 ADAERN C/C=C/C(=O)Nc1ccnc(N)c1 575525455 410087216 /nfs/dbraw/zinc/08/72/16/410087216.db2.gz FUELFDPYSZTWJS-NSCUHMNNSA-N 0 0 177.207 1.178 10 0 ADAERN CCCC(=O)Nc1ccnc(N)c1 575525201 410087280 /nfs/dbraw/zinc/08/72/80/410087280.db2.gz CJOQQGNAKYOKDA-UHFFFAOYSA-N 0 0 179.223 1.402 10 0 ADAERN Nc1nsc(NC2(C3CC3)CC2)n1 575525720 410087335 /nfs/dbraw/zinc/08/73/35/410087335.db2.gz JPXUXRHUAJCTCD-UHFFFAOYSA-N 0 0 196.279 1.475 10 0 ADAERN Nc1ncn(C2CC3(CCC3)C2)n1 575525931 410087345 /nfs/dbraw/zinc/08/73/45/410087345.db2.gz LURSIRDLBXCBPT-UHFFFAOYSA-N 0 0 178.239 1.366 10 0 ADAERN c1cnc(NC2(C3CC3)CC2)cn1 575525665 410087350 /nfs/dbraw/zinc/08/73/50/410087350.db2.gz IPUCCLUMUVBUCL-UHFFFAOYSA-N 0 0 175.235 1.831 10 0 ADAERN Cc1nnc(NC2(C3CC3)CC2)s1 575525458 410087362 /nfs/dbraw/zinc/08/73/62/410087362.db2.gz FXOGWVIAFIOMAA-UHFFFAOYSA-N 0 0 195.291 2.201 10 0 ADAERN Cc1cn(C)nc1N[C@@H](C)C1CC1 575527740 410087438 /nfs/dbraw/zinc/08/74/38/410087438.db2.gz APKGYTIPKRUTMU-QMMMGPOBSA-N 0 0 179.267 1.939 10 0 ADAERN Cc1c(N)n[nH]c1C1(C(F)F)CC1 575529781 410088395 /nfs/dbraw/zinc/08/83/95/410088395.db2.gz DVDISZFKJQRHFD-UHFFFAOYSA-N 0 0 187.193 1.597 10 0 ADAERN Nc1cc([C@]23CCCC[C@H]2C3)on1 575530059 410088426 /nfs/dbraw/zinc/08/84/26/410088426.db2.gz BCSTWJVQYDASII-XVKPBYJWSA-N 0 0 178.235 2.089 10 0 ADAERN Cc1c(N)n[nH]c1C1(C(C)C)CC1 575529930 410088462 /nfs/dbraw/zinc/08/84/62/410088462.db2.gz HCGTWGORKULCGM-UHFFFAOYSA-N 0 0 179.267 1.988 10 0 ADAERN CNc1n[nH]c2c1[C@H]1CC[C@@H](C2)C1 575528532 410088490 /nfs/dbraw/zinc/08/84/90/410088490.db2.gz KHMWWYKNLJJJFY-RQJHMYQMSA-N 0 0 177.251 1.891 10 0 ADAERN Nc1n[nH]c([C@@]23CCCC[C@@H]2C3)n1 575529937 410088504 /nfs/dbraw/zinc/08/85/04/410088504.db2.gz AGPAINZIRZYQTB-HZGVNTEJSA-N 0 0 178.239 1.219 10 0 ADAERN Nc1ncc2c(n1)C[C@@H]1CC[C@H]2C1 575528543 410088527 /nfs/dbraw/zinc/08/85/27/410088527.db2.gz KVCKYUUHXXBMQV-RQJHMYQMSA-N 0 0 175.235 1.499 10 0 ADAERN Nc1cc(C2(C(F)F)CC2)[nH]n1 575529678 410088547 /nfs/dbraw/zinc/08/85/47/410088547.db2.gz BRRGDODTOKAABY-UHFFFAOYSA-N 0 0 173.166 1.289 10 0 ADAERN Nc1nnc(C2(C(F)F)CC2)s1 575529723 410088584 /nfs/dbraw/zinc/08/85/84/410088584.db2.gz DBPXUTVKSOZMBY-UHFFFAOYSA-N 0 0 191.206 1.417 10 0 ADAERN Nc1n[nH]c([C@]23CCCC[C@H]2C3)n1 575529946 410088618 /nfs/dbraw/zinc/08/86/18/410088618.db2.gz AGPAINZIRZYQTB-RCOVLWMOSA-N 0 0 178.239 1.219 10 0 ADAERN CC(C)C1(c2nc(N)no2)CC1 575529663 410088667 /nfs/dbraw/zinc/08/86/67/410088667.db2.gz BEGBBJCNLLOZAU-UHFFFAOYSA-N 0 0 167.212 1.339 10 0 ADAERN FC(F)C1(Nc2cnccn2)CC1 575530081 410088695 /nfs/dbraw/zinc/08/86/95/410088695.db2.gz HITLHGPKKNMZHF-UHFFFAOYSA-N 0 0 185.177 1.686 10 0 ADAERN Nc1nsc(C2(C(F)F)CC2)n1 575529652 410088718 /nfs/dbraw/zinc/08/87/18/410088718.db2.gz AKMSYQWXGLLNQS-UHFFFAOYSA-N 0 0 191.206 1.417 10 0 ADAERN CC(C)=CCNc1nn(C)cc1C 575528826 410088742 /nfs/dbraw/zinc/08/87/42/410088742.db2.gz PQXNFVVFULZDAR-UHFFFAOYSA-N 0 0 179.267 2.107 10 0 ADAERN Nc1cc([C@@]23CCCC[C@@H]2C3)on1 575530052 410088756 /nfs/dbraw/zinc/08/87/56/410088756.db2.gz BCSTWJVQYDASII-GMSGAONNSA-N 0 0 178.235 2.089 10 0 ADAERN CNc1ncc([C@H]2CCCCO2)s1 575531044 410089332 /nfs/dbraw/zinc/08/93/32/410089332.db2.gz KCTLEKBYXCDLRH-SSDOTTSWSA-N 0 0 198.291 2.426 10 0 ADAERN Nc1cc([C@@]23CCC[C@@H]2C3)[nH]n1 575530575 410089384 /nfs/dbraw/zinc/08/93/84/410089384.db2.gz DMJKHBKNRRSMSL-HZGVNTEJSA-N 0 0 163.224 1.434 10 0 ADAERN CC(C)C1(c2cc(N)no2)CC1 575530828 410089410 /nfs/dbraw/zinc/08/94/10/410089410.db2.gz MVJUEKQTSLSUSM-UHFFFAOYSA-N 0 0 166.224 1.944 10 0 ADAERN Nc1nnc([C@]23CCC[C@H]2C3)s1 575530900 410089418 /nfs/dbraw/zinc/08/94/18/410089418.db2.gz FRDNSFLLXCXZKL-XNCJUZBTSA-N 0 0 181.264 1.562 10 0 ADAERN Nc1nc(C2(C(F)F)CC2)cs1 575530143 410089427 /nfs/dbraw/zinc/08/94/27/410089427.db2.gz HSCTZCNPYMIAEN-UHFFFAOYSA-N 0 0 190.218 2.022 10 0 ADAERN CNc1ncc([C@@H]2CCCCO2)s1 575531046 410089443 /nfs/dbraw/zinc/08/94/43/410089443.db2.gz KCTLEKBYXCDLRH-ZETCQYMHSA-N 0 0 198.291 2.426 10 0 ADAERN FC(F)C1(Nc2nncs2)CC1 575530732 410089450 /nfs/dbraw/zinc/08/94/50/410089450.db2.gz LHWMQNZKADEMCS-UHFFFAOYSA-N 0 0 191.206 1.748 10 0 ADAERN CC(C)C1(c2cc(N)n[nH]2)CC1 575530096 410089468 /nfs/dbraw/zinc/08/94/68/410089468.db2.gz HMOXIPQAACDIGR-UHFFFAOYSA-N 0 0 165.240 1.680 10 0 ADAERN CC(C)C1(c2nc(N)ns2)CC1 575530821 410089499 /nfs/dbraw/zinc/08/94/99/410089499.db2.gz MUCTXDKSWHYVMH-UHFFFAOYSA-N 0 0 183.280 1.808 10 0 ADAERN CO[C@H]1C[C@H]1c1csc(N)n1 575531277 410089513 /nfs/dbraw/zinc/08/95/13/410089513.db2.gz IDNZFXWAIJYBED-NJGYIYPDSA-N 0 0 170.237 1.228 10 0 ADAERN Nc1nc([C@]23CCC[C@H]2C3)cs1 575531138 410089535 /nfs/dbraw/zinc/08/95/35/410089535.db2.gz HBTVIQMPEPXVAL-RCOVLWMOSA-N 0 0 180.276 2.167 10 0 ADAERN Nc1nnc([C@@]23CCC[C@@H]2C3)s1 575530889 410089545 /nfs/dbraw/zinc/08/95/45/410089545.db2.gz FRDNSFLLXCXZKL-SVGQVSJJSA-N 0 0 181.264 1.562 10 0 ADAERN Cc1c(N)noc1C1(C(F)F)CC1 575530754 410089554 /nfs/dbraw/zinc/08/95/54/410089554.db2.gz LVSBRWVKDSMXRT-UHFFFAOYSA-N 0 0 188.177 1.862 10 0 ADAERN Nc1nsc([C@]23CCC[C@H]2C3)n1 575531036 410089579 /nfs/dbraw/zinc/08/95/79/410089579.db2.gz GNDGWORLYJWXEW-XNCJUZBTSA-N 0 0 181.264 1.562 10 0 ADAERN Nc1cc([C@]23CCC[C@H]2C3)[nH]n1 575530580 410089585 /nfs/dbraw/zinc/08/95/85/410089585.db2.gz DMJKHBKNRRSMSL-RCOVLWMOSA-N 0 0 163.224 1.434 10 0 ADAERN CO[C@H]1C[C@@H]1c1csc(N)n1 575531292 410089649 /nfs/dbraw/zinc/08/96/49/410089649.db2.gz IDNZFXWAIJYBED-XINAWCOVSA-N 0 0 170.237 1.228 10 0 ADAERN CO[C@@H]1C[C@H]1c1csc(N)n1 575531280 410089660 /nfs/dbraw/zinc/08/96/60/410089660.db2.gz IDNZFXWAIJYBED-UJURSFKZSA-N 0 0 170.237 1.228 10 0 ADAERN Nc1nc([C@@]23CCC[C@@H]2C3)cs1 575531131 410089670 /nfs/dbraw/zinc/08/96/70/410089670.db2.gz HBTVIQMPEPXVAL-HZGVNTEJSA-N 0 0 180.276 2.167 10 0 ADAERN Nc1nsc([C@@]23CCC[C@@H]2C3)n1 575531035 410089691 /nfs/dbraw/zinc/08/96/91/410089691.db2.gz GNDGWORLYJWXEW-SVGQVSJJSA-N 0 0 181.264 1.562 10 0 ADAERN Nc1cc([C@@]23CCC[C@@H]2C3)on1 575532426 410090576 /nfs/dbraw/zinc/09/05/76/410090576.db2.gz NUABAHHUAAURID-HZGVNTEJSA-N 0 0 164.208 1.698 10 0 ADAERN FC(F)C1(Nc2cccnn2)CC1 575532922 410090604 /nfs/dbraw/zinc/09/06/04/410090604.db2.gz YOKBILHSVLPZLA-UHFFFAOYSA-N 0 0 185.177 1.686 10 0 ADAERN Nc1cc([C@]23CCC[C@H]2C3)on1 575532429 410090647 /nfs/dbraw/zinc/09/06/47/410090647.db2.gz NUABAHHUAAURID-RCOVLWMOSA-N 0 0 164.208 1.698 10 0 ADAERN Nc1cc([C@]23CCCC[C@H]2C3)[nH]n1 575532930 410090674 /nfs/dbraw/zinc/09/06/74/410090674.db2.gz PJDHDNUWAANHGP-XVKPBYJWSA-N 0 0 177.251 1.824 10 0 ADAERN Nc1cc([C@@]23CCCC[C@@H]2C3)[nH]n1 575532914 410090712 /nfs/dbraw/zinc/09/07/12/410090712.db2.gz PJDHDNUWAANHGP-GMSGAONNSA-N 0 0 177.251 1.824 10 0 ADAERN Nc1nnc([C@@]23CCCC[C@@H]2C3)s1 575534374 410091643 /nfs/dbraw/zinc/09/16/43/410091643.db2.gz WHHCOEGDBQELQM-HZGVNTEJSA-N 0 0 195.291 1.952 10 0 ADAERN Nc1nnc([C@]23CCCC[C@H]2C3)s1 575534389 410091659 /nfs/dbraw/zinc/09/16/59/410091659.db2.gz WHHCOEGDBQELQM-RCOVLWMOSA-N 0 0 195.291 1.952 10 0 ADAERN Cc1c(N)noc1[C@@]12CCC[C@@H]1C2 575533757 410091673 /nfs/dbraw/zinc/09/16/73/410091673.db2.gz SYVKQPROQDKIHU-GMSGAONNSA-N 0 0 178.235 2.007 10 0 ADAERN C[C@@H]1CC[C@H](n2cnc(N)n2)CS1 575533361 410091731 /nfs/dbraw/zinc/09/17/31/410091731.db2.gz BNNYEJLXZCNUGM-RQJHMYQMSA-N 0 0 198.295 1.317 10 0 ADAERN CO[C@H]1C[C@@H]1c1onc(N)c1Cl 575533773 410091743 /nfs/dbraw/zinc/09/17/43/410091743.db2.gz SYWLWYPLYBJLFV-IMJSIDKUSA-N 0 0 188.614 1.413 10 0 ADAERN CO[C@@H]1C[C@H]1c1onc(N)c1Cl 575533775 410091749 /nfs/dbraw/zinc/09/17/49/410091749.db2.gz SYWLWYPLYBJLFV-QWWZWVQMSA-N 0 0 188.614 1.413 10 0 ADAERN Nc1noc([C@@]23CCCC[C@@H]2C3)n1 575534187 410091757 /nfs/dbraw/zinc/09/17/57/410091757.db2.gz VNPJPSILWPVRSD-HZGVNTEJSA-N 0 0 179.223 1.484 10 0 ADAERN C[C@@H]1CC[C@@H](n2cnc(N)n2)CS1 575533360 410091770 /nfs/dbraw/zinc/09/17/70/410091770.db2.gz BNNYEJLXZCNUGM-RNFRBKRXSA-N 0 0 198.295 1.317 10 0 ADAERN C[C@H]1CC[C@@H](n2cnc(N)n2)CS1 575533358 410091789 /nfs/dbraw/zinc/09/17/89/410091789.db2.gz BNNYEJLXZCNUGM-NKWVEPMBSA-N 0 0 198.295 1.317 10 0 ADAERN Nc1ccn(C[C@H]2C[C@@H]3C[C@@H]3C2)n1 575534035 410091794 /nfs/dbraw/zinc/09/17/94/410091794.db2.gz MWGRPOMLTHQOTJ-AYMMMOKOSA-N 0 0 177.251 1.511 10 0 ADAERN C[C@H]1CC[C@H](n2cnc(N)n2)CS1 575533354 410091814 /nfs/dbraw/zinc/09/18/14/410091814.db2.gz BNNYEJLXZCNUGM-BQBZGAKWSA-N 0 0 198.295 1.317 10 0 ADAERN Cc1c(N)n[nH]c1[C@@]12CCC[C@@H]1C2 575534103 410091819 /nfs/dbraw/zinc/09/18/19/410091819.db2.gz UUSWYPOOKYFWTK-GMSGAONNSA-N 0 0 177.251 1.742 10 0 ADAERN CO[C@@H]1C[C@@H]1c1onc(N)c1Cl 575533774 410091837 /nfs/dbraw/zinc/09/18/37/410091837.db2.gz SYWLWYPLYBJLFV-IUYQGCFVSA-N 0 0 188.614 1.413 10 0 ADAERN CC1CN(Cc2csc(N)n2)C1 575534083 410091842 /nfs/dbraw/zinc/09/18/42/410091842.db2.gz NKRJWXKOGGXKIQ-UHFFFAOYSA-N 0 0 183.280 1.177 10 0 ADAERN CO[C@H]1C[C@H]1c1onc(N)c1Cl 575533769 410091854 /nfs/dbraw/zinc/09/18/54/410091854.db2.gz SYWLWYPLYBJLFV-DMTCNVIQSA-N 0 0 188.614 1.413 10 0 ADAERN Nc1nnc([C@@]23CCCC[C@@H]2C3)o1 575533791 410091889 /nfs/dbraw/zinc/09/18/89/410091889.db2.gz TUZNSTCOPCOADQ-HZGVNTEJSA-N 0 0 179.223 1.484 10 0 ADAERN Nc1noc([C@]23CCCC[C@H]2C3)n1 575534192 410091905 /nfs/dbraw/zinc/09/19/05/410091905.db2.gz VNPJPSILWPVRSD-RCOVLWMOSA-N 0 0 179.223 1.484 10 0 ADAERN Cc1c(N)n[nH]c1[C@]12CCC[C@H]1C2 575534121 410091916 /nfs/dbraw/zinc/09/19/16/410091916.db2.gz UUSWYPOOKYFWTK-XVKPBYJWSA-N 0 0 177.251 1.742 10 0 ADAERN Cc1c(N)noc1[C@]12CCC[C@H]1C2 575533767 410091938 /nfs/dbraw/zinc/09/19/38/410091938.db2.gz SYVKQPROQDKIHU-XVKPBYJWSA-N 0 0 178.235 2.007 10 0 ADAERN Nc1nnc([C@]23CCCC[C@H]2C3)o1 575533794 410091942 /nfs/dbraw/zinc/09/19/42/410091942.db2.gz TUZNSTCOPCOADQ-RCOVLWMOSA-N 0 0 179.223 1.484 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1c1cc(N)n[nH]1 575536361 410092747 /nfs/dbraw/zinc/09/27/47/410092747.db2.gz BHKSIJJVXHXXOB-RNFRBKRXSA-N 0 0 179.267 2.142 10 0 ADAERN Nc1cnc(NCC2=CCCC2)s1 575536328 410092785 /nfs/dbraw/zinc/09/27/85/410092785.db2.gz APYKLKQPKGOCGN-UHFFFAOYSA-N 0 0 195.291 2.248 10 0 ADAERN Nc1nsc([C@H]2CC23CC3)n1 575536785 410092867 /nfs/dbraw/zinc/09/28/67/410092867.db2.gz AIXLKZLNCIHTKO-SCSAIBSYSA-N 0 0 167.237 1.388 10 0 ADAERN C1=C(CNc2nncs2)CCC1 575536444 410092880 /nfs/dbraw/zinc/09/28/80/410092880.db2.gz DYAZUDQCJOTNLF-UHFFFAOYSA-N 0 0 181.264 2.060 10 0 ADAERN Nc1nsc([C@@H]2CC23CC3)n1 575536784 410092920 /nfs/dbraw/zinc/09/29/20/410092920.db2.gz AIXLKZLNCIHTKO-BYPYZUCNSA-N 0 0 167.237 1.388 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H]1c1cc(N)n[nH]1 575536354 410092933 /nfs/dbraw/zinc/09/29/33/410092933.db2.gz BHKSIJJVXHXXOB-BQBZGAKWSA-N 0 0 179.267 2.142 10 0 ADAERN Nc1nsc([C@@]23CCCC[C@@H]2C3)n1 575534979 410093007 /nfs/dbraw/zinc/09/30/07/410093007.db2.gz ZICFRQQDOVIIAM-HZGVNTEJSA-N 0 0 195.291 1.952 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]1c1cc(N)n[nH]1 575536358 410093084 /nfs/dbraw/zinc/09/30/84/410093084.db2.gz BHKSIJJVXHXXOB-NKWVEPMBSA-N 0 0 179.267 2.142 10 0 ADAERN CNc1nc(CN2CC(C)C2)cs1 575534940 410093121 /nfs/dbraw/zinc/09/31/21/410093121.db2.gz UYTJETRWPNSPMI-UHFFFAOYSA-N 0 0 197.307 1.637 10 0 ADAERN Nc1nsc([C@]23CCCC[C@H]2C3)n1 575534982 410093185 /nfs/dbraw/zinc/09/31/85/410093185.db2.gz ZICFRQQDOVIIAM-RCOVLWMOSA-N 0 0 195.291 1.952 10 0 ADAERN CNc1nc2c(s1)CCC21CC1 575536930 410093204 /nfs/dbraw/zinc/09/32/04/410093204.db2.gz BFCVSCPPOFOGBY-UHFFFAOYSA-N 0 0 180.276 2.163 10 0 ADAERN CC(C)(C)[C@H]1C[C@H]1c1cc(N)n[nH]1 575536363 410093272 /nfs/dbraw/zinc/09/32/72/410093272.db2.gz BHKSIJJVXHXXOB-RQJHMYQMSA-N 0 0 179.267 2.142 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1c1nnc(N)o1 575538104 410094417 /nfs/dbraw/zinc/09/44/17/410094417.db2.gz PAMNPEVKYSKQTB-PHDIDXHHSA-N 0 0 181.239 1.801 10 0 ADAERN CC(C)(C)[C@H]1C[C@H]1c1nnc(N)o1 575538105 410094445 /nfs/dbraw/zinc/09/44/45/410094445.db2.gz PAMNPEVKYSKQTB-RITPCOANSA-N 0 0 181.239 1.801 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1c1nc(N)no1 575539087 410094471 /nfs/dbraw/zinc/09/44/71/410094471.db2.gz WGOVXDCVNLHDNK-PHDIDXHHSA-N 0 0 181.239 1.801 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]1c1nc(N)n[nH]1 575538941 410094522 /nfs/dbraw/zinc/09/45/22/410094522.db2.gz UUQXSABWHYDBBW-NTSWFWBYSA-N 0 0 180.255 1.537 10 0 ADAERN CC(C)(C)[C@H]1C[C@H]1c1nc(N)no1 575539088 410094606 /nfs/dbraw/zinc/09/46/06/410094606.db2.gz WGOVXDCVNLHDNK-RITPCOANSA-N 0 0 181.239 1.801 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H]1c1nc(N)no1 575539089 410094622 /nfs/dbraw/zinc/09/46/22/410094622.db2.gz WGOVXDCVNLHDNK-WDSKDSINSA-N 0 0 181.239 1.801 10 0 ADAERN Nc1cc([C@H]2CC23CC3)on1 575538936 410094633 /nfs/dbraw/zinc/09/46/33/410094633.db2.gz RGSXPSJVEQCQOW-RXMQYKEDSA-N 0 0 150.181 1.524 10 0 ADAERN CCc1c(N)noc1[C@H]1CC12CC2 575537453 410094727 /nfs/dbraw/zinc/09/47/27/410094727.db2.gz FTFQZFNGMRUGPX-SSDOTTSWSA-N 0 0 178.235 2.087 10 0 ADAERN CCNc1nc2c(s1)CCC21CC1 575539142 410094810 /nfs/dbraw/zinc/09/48/10/410094810.db2.gz SWKUDRGJABGEIR-UHFFFAOYSA-N 0 0 194.303 2.553 10 0 ADAERN Nc1cc([C@@H]2CC23CC3)on1 575538937 410094823 /nfs/dbraw/zinc/09/48/23/410094823.db2.gz RGSXPSJVEQCQOW-YFKPBYRVSA-N 0 0 150.181 1.524 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]1c1nc(N)n[nH]1 575538948 410094866 /nfs/dbraw/zinc/09/48/66/410094866.db2.gz UUQXSABWHYDBBW-PHDIDXHHSA-N 0 0 180.255 1.537 10 0 ADAERN CC(C)(C)[C@H]1C[C@H]1c1nc(N)n[nH]1 575538950 410094883 /nfs/dbraw/zinc/09/48/83/410094883.db2.gz UUQXSABWHYDBBW-RITPCOANSA-N 0 0 180.255 1.537 10 0 ADAERN Cc1c(N)noc1[C@H]1CC12CC2 575537734 410094891 /nfs/dbraw/zinc/09/48/91/410094891.db2.gz IMHKKUHQQUEMAM-ZCFIWIBFSA-N 0 0 164.208 1.833 10 0 ADAERN CC(C)Nc1nccnc1C(C)C 575537880 410094931 /nfs/dbraw/zinc/09/49/31/410094931.db2.gz MRDUXDZVUDOESS-UHFFFAOYSA-N 0 0 179.267 2.420 10 0 ADAERN c1cnc(C2CC2)c(NC2CC2)n1 575538383 410094937 /nfs/dbraw/zinc/09/49/37/410094937.db2.gz QUJNPJBBUVXBHF-UHFFFAOYSA-N 0 0 175.235 1.928 10 0 ADAERN C[C@H]1COC[C@H]1c1csc(N)n1 575539207 410094995 /nfs/dbraw/zinc/09/49/95/410094995.db2.gz UNOHGYSDEZLTBZ-NTSWFWBYSA-N 0 0 184.264 1.475 10 0 ADAERN C[C@@H]1COC[C@H]1c1csc(N)n1 575539208 410094961 /nfs/dbraw/zinc/09/49/61/410094961.db2.gz UNOHGYSDEZLTBZ-PHDIDXHHSA-N 0 0 184.264 1.475 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H]1c1nnc(N)o1 575538106 410094978 /nfs/dbraw/zinc/09/49/78/410094978.db2.gz PAMNPEVKYSKQTB-WDSKDSINSA-N 0 0 181.239 1.801 10 0 ADAERN Cc1cocc1-c1onc(N)c1C 575538528 410095031 /nfs/dbraw/zinc/09/50/31/410095031.db2.gz NXRWAOPQOZGIQI-UHFFFAOYSA-N 0 0 178.191 2.134 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]1c1nnc(N)o1 575538102 410095096 /nfs/dbraw/zinc/09/50/96/410095096.db2.gz PAMNPEVKYSKQTB-NTSWFWBYSA-N 0 0 181.239 1.801 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]1c1nc(N)no1 575539086 410095124 /nfs/dbraw/zinc/09/51/24/410095124.db2.gz WGOVXDCVNLHDNK-NTSWFWBYSA-N 0 0 181.239 1.801 10 0 ADAERN Cc1cocc1-c1nc(N)ns1 575538718 410095132 /nfs/dbraw/zinc/09/51/32/410095132.db2.gz PCSOLYNQJFLGOF-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN Cc1c(N)noc1[C@@H]1CC12CC2 575537731 410095183 /nfs/dbraw/zinc/09/51/83/410095183.db2.gz IMHKKUHQQUEMAM-LURJTMIESA-N 0 0 164.208 1.833 10 0 ADAERN C[C@@H]1COC[C@@H]1c1csc(N)n1 575539209 410095188 /nfs/dbraw/zinc/09/51/88/410095188.db2.gz UNOHGYSDEZLTBZ-RITPCOANSA-N 0 0 184.264 1.475 10 0 ADAERN CC(C)c1nccnc1NC1CC1 575538126 410095201 /nfs/dbraw/zinc/09/52/01/410095201.db2.gz PLOVQCPWBDEODS-UHFFFAOYSA-N 0 0 177.251 2.174 10 0 ADAERN C[C@H]1COC[C@@H]1c1csc(N)n1 575539210 410095210 /nfs/dbraw/zinc/09/52/10/410095210.db2.gz UNOHGYSDEZLTBZ-WDSKDSINSA-N 0 0 184.264 1.475 10 0 ADAERN Nc1nc2c(s1)CCC21CC1 575538753 410095239 /nfs/dbraw/zinc/09/52/39/410095239.db2.gz PNHDIHNYOYJVRJ-UHFFFAOYSA-N 0 0 166.249 1.703 10 0 ADAERN CCc1c(N)noc1[C@@H]1CC12CC2 575537464 410095255 /nfs/dbraw/zinc/09/52/55/410095255.db2.gz FTFQZFNGMRUGPX-ZETCQYMHSA-N 0 0 178.235 2.087 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H]1c1nc(N)n[nH]1 575538951 410095340 /nfs/dbraw/zinc/09/53/40/410095340.db2.gz UUQXSABWHYDBBW-WDSKDSINSA-N 0 0 180.255 1.537 10 0 ADAERN C[C@@H](F)CCNc1nccs1 575540501 410095948 /nfs/dbraw/zinc/09/59/48/410095948.db2.gz ANGLFHBDVNGECO-ZCFIWIBFSA-N 0 0 174.244 2.303 10 0 ADAERN C[C@H](F)CCNc1nccs1 575540499 410095962 /nfs/dbraw/zinc/09/59/62/410095962.db2.gz ANGLFHBDVNGECO-LURJTMIESA-N 0 0 174.244 2.303 10 0 ADAERN CC(C)Nc1nccnc1C1CC1 575539552 410096031 /nfs/dbraw/zinc/09/60/31/410096031.db2.gz ZIWPFPHPPGVBMN-UHFFFAOYSA-N 0 0 177.251 2.174 10 0 ADAERN Nc1ncn([C@@H]2CCCC23CC3)n1 575541907 410096072 /nfs/dbraw/zinc/09/60/72/410096072.db2.gz IVELNVZQJAOUQP-SSDOTTSWSA-N 0 0 178.239 1.366 10 0 ADAERN Nc1ccc(N2CC[C@H]3C[C@H]32)cn1 575539673 410096120 /nfs/dbraw/zinc/09/61/20/410096120.db2.gz ZDKWGCGGOGLMFQ-IONNQARKSA-N 0 0 175.235 1.262 10 0 ADAERN Nc1noc([C@@H]2CCCC23CC3)n1 575541600 410096150 /nfs/dbraw/zinc/09/61/50/410096150.db2.gz IMJDPKSODAGHSN-LURJTMIESA-N 0 0 179.223 1.700 10 0 ADAERN Cc1cn(C)nc1NC[C@H]1C[C@H]1C 575540436 410096209 /nfs/dbraw/zinc/09/62/09/410096209.db2.gz FIWZPSTZVOWABZ-VXNVDRBHSA-N 0 0 179.267 1.796 10 0 ADAERN Cc1cn(C)nc1NC[C@@H]1C[C@@H]1C 575540432 410096350 /nfs/dbraw/zinc/09/63/50/410096350.db2.gz FIWZPSTZVOWABZ-CBAPKCEASA-N 0 0 179.267 1.796 10 0 ADAERN Cc1cn(C)nc1NC[C@@H]1C[C@H]1C 575540427 410096375 /nfs/dbraw/zinc/09/63/75/410096375.db2.gz FIWZPSTZVOWABZ-APPZFPTMSA-N 0 0 179.267 1.796 10 0 ADAERN Cc1cocc1-c1cc(N)no1 575539481 410096394 /nfs/dbraw/zinc/09/63/94/410096394.db2.gz XLEHUKRSHRUIAV-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN Nc1ccc(N2CC[C@@H]3C[C@@H]32)cn1 575539671 410096600 /nfs/dbraw/zinc/09/66/00/410096600.db2.gz ZDKWGCGGOGLMFQ-APPZFPTMSA-N 0 0 175.235 1.262 10 0 ADAERN Nc1noc([C@H]2CCCC23CC3)n1 575541601 410096726 /nfs/dbraw/zinc/09/67/26/410096726.db2.gz IMJDPKSODAGHSN-ZCFIWIBFSA-N 0 0 179.223 1.700 10 0 ADAERN Cc1cn(C)nc1NC[C@H]1C[C@@H]1C 575540435 410096758 /nfs/dbraw/zinc/09/67/58/410096758.db2.gz FIWZPSTZVOWABZ-IONNQARKSA-N 0 0 179.267 1.796 10 0 ADAERN Nc1ncn([C@H]2CCCC23CC3)n1 575541909 410096874 /nfs/dbraw/zinc/09/68/74/410096874.db2.gz IVELNVZQJAOUQP-ZETCQYMHSA-N 0 0 178.239 1.366 10 0 ADAERN C[C@@H](N1C(=S)N=NC1N)C1(C)CC1 575544012 410097415 /nfs/dbraw/zinc/09/74/15/410097415.db2.gz SJJOFUDHSUVBID-RXMQYKEDSA-N 0 0 198.295 1.510 10 0 ADAERN Nc1ncc([C@@H]2CC23CC3)s1 575543444 410097452 /nfs/dbraw/zinc/09/74/52/410097452.db2.gz PJNHLBYXVPAPCM-YFKPBYRVSA-N 0 0 166.249 1.993 10 0 ADAERN CC1(C)C[C@@]1(C)Nc1cnccn1 575543439 410097512 /nfs/dbraw/zinc/09/75/12/410097512.db2.gz YCTMNAKQZOVFTI-SNVBAGLBSA-N 0 0 177.251 2.077 10 0 ADAERN C[C@H]1C[C@H]1c1cnc(N)s1 575545025 410097555 /nfs/dbraw/zinc/09/75/55/410097555.db2.gz ZIXXARMDHYJWRR-CRCLSJGQSA-N 0 0 154.238 1.849 10 0 ADAERN C[C@@H](n1cnc(N)n1)C1(C)CC1 575543106 410097606 /nfs/dbraw/zinc/09/76/06/410097606.db2.gz MZISIZIAMUIFPL-ZCFIWIBFSA-N 0 0 166.228 1.221 10 0 ADAERN CC1(C)C[C@@]1(C)Nc1nncs1 575544897 410097631 /nfs/dbraw/zinc/09/76/31/410097631.db2.gz MARRDMOPFOILGP-MRVPVSSYSA-N 0 0 183.280 2.139 10 0 ADAERN C[C@@H]1C[C@H]1c1cnc(N)s1 575545090 410097636 /nfs/dbraw/zinc/09/76/36/410097636.db2.gz ZIXXARMDHYJWRR-RFZPGFLSSA-N 0 0 154.238 1.849 10 0 ADAERN CC1(C)C[C@]1(C)Nc1nncs1 575544903 410097664 /nfs/dbraw/zinc/09/76/64/410097664.db2.gz MARRDMOPFOILGP-QMMMGPOBSA-N 0 0 183.280 2.139 10 0 ADAERN C[C@H](N1C(=S)N=NC1N)C1(C)CC1 575544013 410097684 /nfs/dbraw/zinc/09/76/84/410097684.db2.gz SJJOFUDHSUVBID-YFKPBYRVSA-N 0 0 198.295 1.510 10 0 ADAERN CC1(C)C[C@@]1(C)Nc1cccnn1 575542988 410097749 /nfs/dbraw/zinc/09/77/49/410097749.db2.gz SPQOIKDJCJVPCT-SNVBAGLBSA-N 0 0 177.251 2.077 10 0 ADAERN Nc1ncc([C@H]2CC23CC3)s1 575543441 410097756 /nfs/dbraw/zinc/09/77/56/410097756.db2.gz PJNHLBYXVPAPCM-RXMQYKEDSA-N 0 0 166.249 1.993 10 0 ADAERN Nc1nc2c(o1)CCC21CC1 575543912 410097768 /nfs/dbraw/zinc/09/77/68/410097768.db2.gz CAGSFDOUYWTBMF-UHFFFAOYSA-N 0 0 150.181 1.235 10 0 ADAERN Cc1cn(C)nc1NCC(C)(F)F 575544718 410097776 /nfs/dbraw/zinc/09/77/76/410097776.db2.gz GZHWNKYARUYSTO-UHFFFAOYSA-N 0 0 189.209 1.796 10 0 ADAERN Cn1ccc(NC[C@@H]2CC23CC3)n1 575543659 410097786 /nfs/dbraw/zinc/09/77/86/410097786.db2.gz RKWKGVUSEYDVFB-QMMMGPOBSA-N 0 0 177.251 1.632 10 0 ADAERN C[C@@H](Nc1cccnn1)C1(C)CC1 575543918 410097798 /nfs/dbraw/zinc/09/77/98/410097798.db2.gz CFMKELHOVOPUKW-MRVPVSSYSA-N 0 0 177.251 2.077 10 0 ADAERN CC1(C)C[C@]1(C)Nc1cnccn1 575543438 410097820 /nfs/dbraw/zinc/09/78/20/410097820.db2.gz YCTMNAKQZOVFTI-JTQLQIEISA-N 0 0 177.251 2.077 10 0 ADAERN Cc1nnc(N[C@]2(C)CC2(C)C)s1 575544723 410097830 /nfs/dbraw/zinc/09/78/30/410097830.db2.gz KJGKOVWLQZCTST-SECBINFHSA-N 0 0 197.307 2.447 10 0 ADAERN CC1(C)C[C@]1(C)Nc1cccnn1 575542987 410097845 /nfs/dbraw/zinc/09/78/45/410097845.db2.gz SPQOIKDJCJVPCT-JTQLQIEISA-N 0 0 177.251 2.077 10 0 ADAERN C[C@H](Nc1cccnn1)C1(C)CC1 575543923 410097899 /nfs/dbraw/zinc/09/78/99/410097899.db2.gz CFMKELHOVOPUKW-QMMMGPOBSA-N 0 0 177.251 2.077 10 0 ADAERN Cn1ccc(NC[C@H]2CC23CC3)n1 575543658 410097908 /nfs/dbraw/zinc/09/79/08/410097908.db2.gz RKWKGVUSEYDVFB-MRVPVSSYSA-N 0 0 177.251 1.632 10 0 ADAERN Cc1nnc(N[C@@]2(C)CC2(C)C)s1 575544727 410097915 /nfs/dbraw/zinc/09/79/15/410097915.db2.gz KJGKOVWLQZCTST-VIFPVBQESA-N 0 0 197.307 2.447 10 0 ADAERN CC1(C)CC(c2nc(N)n[nH]2)C1 575544736 410097933 /nfs/dbraw/zinc/09/79/33/410097933.db2.gz KNWSGHIZDSAUJR-UHFFFAOYSA-N 0 0 166.228 1.291 10 0 ADAERN C[C@H](n1cnc(N)n1)C1(C)CC1 575543105 410097947 /nfs/dbraw/zinc/09/79/47/410097947.db2.gz MZISIZIAMUIFPL-LURJTMIESA-N 0 0 166.228 1.221 10 0 ADAERN CC1(C)CC(c2nnc(N)o2)C1 575546226 410098883 /nfs/dbraw/zinc/09/88/83/410098883.db2.gz RMWJYMQPUWUMBN-UHFFFAOYSA-N 0 0 167.212 1.555 10 0 ADAERN CC(C)(C)c1cc(NC#N)n[nH]1 575549553 410098940 /nfs/dbraw/zinc/09/89/40/410098940.db2.gz NRIKWNYWBWWIFA-UHFFFAOYSA-N 0 0 164.212 1.600 10 0 ADAERN C[C@@H](Nc1cnccn1)C1(C)CC1 575545234 410099029 /nfs/dbraw/zinc/09/90/29/410099029.db2.gz JQJDFQWILZIUBJ-MRVPVSSYSA-N 0 0 177.251 2.077 10 0 ADAERN Cc1nnccc1-c1csc(N)n1 575546612 410099104 /nfs/dbraw/zinc/09/91/04/410099104.db2.gz WEZHLEIERJXRDT-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cc(NCC(C)(F)F)nn1C 575545665 410099118 /nfs/dbraw/zinc/09/91/18/410099118.db2.gz NBYGAKZKVKLGGN-UHFFFAOYSA-N 0 0 189.209 1.796 10 0 ADAERN CNc1ncc([C@@H]2CC23CC3)s1 575545152 410099128 /nfs/dbraw/zinc/09/91/28/410099128.db2.gz ZWMOTEUBTBAOIP-LURJTMIESA-N 0 0 180.276 2.452 10 0 ADAERN C[C@@H]1C[C@@H]1c1cnc(N)s1 575545091 410099151 /nfs/dbraw/zinc/09/91/51/410099151.db2.gz ZIXXARMDHYJWRR-UHNVWZDZSA-N 0 0 154.238 1.849 10 0 ADAERN CCNc1n[nH]c2c1CCC21CC1 575545498 410099199 /nfs/dbraw/zinc/09/91/99/410099199.db2.gz LZJFTNZJOOQDSL-UHFFFAOYSA-N 0 0 177.251 1.819 10 0 ADAERN Cc1ncc(NC2CSC2)nc1C 575548788 410099231 /nfs/dbraw/zinc/09/92/31/410099231.db2.gz GZPIYFJGUYLACK-UHFFFAOYSA-N 0 0 195.291 1.621 10 0 ADAERN CCCNc1ccsn1 575549372 410099325 /nfs/dbraw/zinc/09/93/25/410099325.db2.gz JSQPDFOKCHSJSN-UHFFFAOYSA-N 0 0 142.227 1.965 10 0 ADAERN CNc1ncc([C@H]2CC23CC3)s1 575545153 410099357 /nfs/dbraw/zinc/09/93/57/410099357.db2.gz ZWMOTEUBTBAOIP-ZCFIWIBFSA-N 0 0 180.276 2.452 10 0 ADAERN C[C@H](Nc1cnccn1)C1(C)CC1 575545235 410099519 /nfs/dbraw/zinc/09/95/19/410099519.db2.gz JQJDFQWILZIUBJ-QMMMGPOBSA-N 0 0 177.251 2.077 10 0 ADAERN CC1(C)CC(Cn2cnc(N)n2)C1 575549186 410099524 /nfs/dbraw/zinc/09/95/24/410099524.db2.gz IHXCBJNVYCAXSZ-UHFFFAOYSA-N 0 0 180.255 1.297 10 0 ADAERN C[C@H]1C[C@@H]1c1cnc(N)s1 575545092 410099576 /nfs/dbraw/zinc/09/95/76/410099576.db2.gz ZIXXARMDHYJWRR-WHFBIAKZSA-N 0 0 154.238 1.849 10 0 ADAERN CC1(C)C[C@]1(C)CNc1nncs1 575550146 410100647 /nfs/dbraw/zinc/10/06/47/410100647.db2.gz PRZWLRCZBQZOSE-SECBINFHSA-N 0 0 197.307 2.386 10 0 ADAERN CCSCc1ccc(N)nn1 575557801 410100863 /nfs/dbraw/zinc/10/08/63/410100863.db2.gz OPEMKNNLHJMVSJ-UHFFFAOYSA-N 0 0 169.253 1.312 10 0 ADAERN CC1(C)C[C@@]1(C)CNc1nncs1 575550147 410101076 /nfs/dbraw/zinc/10/10/76/410101076.db2.gz PRZWLRCZBQZOSE-VIFPVBQESA-N 0 0 197.307 2.386 10 0 ADAERN CC1(C)C[C@@]1(C)c1nc(N)no1 575561924 410102583 /nfs/dbraw/zinc/10/25/83/410102583.db2.gz WWXZGYWBSJWTJW-QMMMGPOBSA-N 0 0 167.212 1.339 10 0 ADAERN Nc1nc(-c2ccsn2)cs1 575562939 410102602 /nfs/dbraw/zinc/10/26/02/410102602.db2.gz GLZGZSBGNRTGHE-UHFFFAOYSA-N 0 0 183.261 1.849 10 0 ADAERN Cc1c(N)n[nH]c1[C@]1(C)CC1(C)C 575561667 410102620 /nfs/dbraw/zinc/10/26/20/410102620.db2.gz SRBRGABSJZIWHT-JTQLQIEISA-N 0 0 179.267 1.988 10 0 ADAERN CC1(C)C[C@@]1(C)c1nnc(N)s1 575559504 410102799 /nfs/dbraw/zinc/10/27/99/410102799.db2.gz HMBMYFMPAITHHS-QMMMGPOBSA-N 0 0 183.280 1.808 10 0 ADAERN Cc1cocc1-c1nnc(N)o1 575561813 410102941 /nfs/dbraw/zinc/10/29/41/410102941.db2.gz VFICPMGFDFKBTH-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN CC1(C)C[C@@]1(C)c1nccc(N)n1 575563167 410102947 /nfs/dbraw/zinc/10/29/47/410102947.db2.gz HGSSSPUPCZBUGG-JTQLQIEISA-N 0 0 177.251 1.746 10 0 ADAERN Cc1c(N)n[nH]c1[C@@]1(C)CC1(C)C 575561669 410102964 /nfs/dbraw/zinc/10/29/64/410102964.db2.gz SRBRGABSJZIWHT-SNVBAGLBSA-N 0 0 179.267 1.988 10 0 ADAERN Cc1cocc1-c1[nH]nc(N)c1C 575561059 410103059 /nfs/dbraw/zinc/10/30/59/410103059.db2.gz NWOLKYUEUUIZIT-UHFFFAOYSA-N 0 0 177.207 1.869 10 0 ADAERN CC1(C)C[C@]1(C)c1nc(N)no1 575561922 410103077 /nfs/dbraw/zinc/10/30/77/410103077.db2.gz WWXZGYWBSJWTJW-MRVPVSSYSA-N 0 0 167.212 1.339 10 0 ADAERN CC1(C)C[C@]1(C)N1C(=S)N=NC1N 575562330 410103101 /nfs/dbraw/zinc/10/31/01/410103101.db2.gz YTUISJCCIZSEQE-QMMMGPOBSA-N 0 0 198.295 1.294 10 0 ADAERN CCc1c(N)noc1-c1ccns1 575562663 410103153 /nfs/dbraw/zinc/10/31/53/410103153.db2.gz AQSMRSJXEZCJKT-UHFFFAOYSA-N 0 0 195.247 1.943 10 0 ADAERN CC1(C)C[C@@]1(C)N1C(=S)N=NC1N 575562329 410103167 /nfs/dbraw/zinc/10/31/67/410103167.db2.gz YTUISJCCIZSEQE-MRVPVSSYSA-N 0 0 198.295 1.294 10 0 ADAERN CC1(C)C[C@]1(C)c1nccc(N)n1 575563168 410103254 /nfs/dbraw/zinc/10/32/54/410103254.db2.gz HGSSSPUPCZBUGG-SNVBAGLBSA-N 0 0 177.251 1.746 10 0 ADAERN Cc1cocc1-c1cc(N)n[nH]1 575558620 410103267 /nfs/dbraw/zinc/10/32/67/410103267.db2.gz CSFJFPQSLLTAIY-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Cc1cocc1-c1nc(N)no1 575562231 410103281 /nfs/dbraw/zinc/10/32/81/410103281.db2.gz ZPDCCOBZXWONSN-UHFFFAOYSA-N 0 0 165.152 1.220 10 0 ADAERN CC1(C)C[C@]1(C)c1nnc(N)s1 575559503 410103365 /nfs/dbraw/zinc/10/33/65/410103365.db2.gz HMBMYFMPAITHHS-MRVPVSSYSA-N 0 0 183.280 1.808 10 0 ADAERN Cc1c(N)noc1-c1ccns1 575562643 410103393 /nfs/dbraw/zinc/10/33/93/410103393.db2.gz ABMFKAUSMDTQCP-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC1(C)C[C@@]1(C)Cn1cnc(N)n1 575563878 410104185 /nfs/dbraw/zinc/10/41/85/410104185.db2.gz XTLXXIPCRZHOOT-VIFPVBQESA-N 0 0 180.255 1.297 10 0 ADAERN CC1(C)C[C@@]1(C)c1nnc(N)o1 575563861 410104241 /nfs/dbraw/zinc/10/42/41/410104241.db2.gz XJUCJUWIROUQPY-QMMMGPOBSA-N 0 0 167.212 1.339 10 0 ADAERN CC1(C)C[C@]1(C)Cn1cnc(N)n1 575563877 410104300 /nfs/dbraw/zinc/10/43/00/410104300.db2.gz XTLXXIPCRZHOOT-SECBINFHSA-N 0 0 180.255 1.297 10 0 ADAERN Nc1nsc(-c2ccsn2)n1 575563650 410104343 /nfs/dbraw/zinc/10/43/43/410104343.db2.gz RHYRHQOXYBRPNG-UHFFFAOYSA-N 0 0 184.249 1.244 10 0 ADAERN Cc1c(N)noc1-c1ccsn1 575563982 410104465 /nfs/dbraw/zinc/10/44/65/410104465.db2.gz YIKWWXCHPNKELM-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN CC1(C)C[C@@]1(C)c1cc(N)n[nH]1 575563922 410104473 /nfs/dbraw/zinc/10/44/73/410104473.db2.gz ZMYQNRDRRZFDOM-VIFPVBQESA-N 0 0 165.240 1.680 10 0 ADAERN CC1(C)C[C@]1(C)c1nnc(N)o1 575563859 410104492 /nfs/dbraw/zinc/10/44/92/410104492.db2.gz XJUCJUWIROUQPY-MRVPVSSYSA-N 0 0 167.212 1.339 10 0 ADAERN Nc1cc(-c2ccsn2)on1 575563905 410104503 /nfs/dbraw/zinc/10/45/03/410104503.db2.gz WDBIHNBGZKGEOM-UHFFFAOYSA-N 0 0 167.193 1.380 10 0 ADAERN CC1(C)C[C@]1(C)c1cc(N)n[nH]1 575563921 410104662 /nfs/dbraw/zinc/10/46/62/410104662.db2.gz ZMYQNRDRRZFDOM-SECBINFHSA-N 0 0 165.240 1.680 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1nncs1 575568596 410105742 /nfs/dbraw/zinc/10/57/42/410105742.db2.gz FTFPMSMNSCSULF-XPUUQOCRSA-N 0 0 183.280 1.996 10 0 ADAERN C[C@@H]1C[C@@H]1[C@@H](O)c1cnc(N)s1 575567919 410105769 /nfs/dbraw/zinc/10/57/69/410105769.db2.gz ATAUAUTYELSSSD-JCGDXUMPSA-N 0 0 184.264 1.415 10 0 ADAERN Cc1c(N)noc1C(C)(C)C(F)F 575568524 410105784 /nfs/dbraw/zinc/10/57/84/410105784.db2.gz FCQYBKZHUBUIDX-UHFFFAOYSA-N 0 0 190.193 2.108 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)c1cnc(N)s1 575567937 410105975 /nfs/dbraw/zinc/10/59/75/410105975.db2.gz ATAUAUTYELSSSD-XAHCXIQSSA-N 0 0 184.264 1.415 10 0 ADAERN C[C@@H]1C[C@H]1[C@@H](O)c1cnc(N)s1 575567936 410106017 /nfs/dbraw/zinc/10/60/17/410106017.db2.gz ATAUAUTYELSSSD-WYDQCIBASA-N 0 0 184.264 1.415 10 0 ADAERN Cc1cc(N[C@H](C)CF)nc(F)n1 575568658 410106148 /nfs/dbraw/zinc/10/61/48/410106148.db2.gz GABUCGCYEDPKRH-ZCFIWIBFSA-N 0 0 187.193 1.694 10 0 ADAERN Cc1nnc(NC2(C)CC=CC2)s1 575567074 410106206 /nfs/dbraw/zinc/10/62/06/410106206.db2.gz XCZLFBRMKIHMCO-UHFFFAOYSA-N 0 0 195.291 2.367 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1nncs1 575568584 410106228 /nfs/dbraw/zinc/10/62/28/410106228.db2.gz FTFPMSMNSCSULF-HTRCEHHLSA-N 0 0 183.280 1.996 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1nncs1 575568595 410106248 /nfs/dbraw/zinc/10/62/48/410106248.db2.gz FTFPMSMNSCSULF-SVRRBLITSA-N 0 0 183.280 1.996 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)c1cnc(N)s1 575567938 410106277 /nfs/dbraw/zinc/10/62/77/410106277.db2.gz ATAUAUTYELSSSD-ZDLURKLDSA-N 0 0 184.264 1.415 10 0 ADAERN Cc1cc(N[C@@H](C)CF)nc(F)n1 575568656 410106304 /nfs/dbraw/zinc/10/63/04/410106304.db2.gz GABUCGCYEDPKRH-LURJTMIESA-N 0 0 187.193 1.694 10 0 ADAERN C[C@H]1C[C@]1(C)CNc1nncs1 575568589 410106344 /nfs/dbraw/zinc/10/63/44/410106344.db2.gz FTFPMSMNSCSULF-POYBYMJQSA-N 0 0 183.280 1.996 10 0 ADAERN CC(C)(c1nnc(N)s1)C(F)F 575571197 410107115 /nfs/dbraw/zinc/10/71/15/410107115.db2.gz IHWDHGJXEYPMMX-UHFFFAOYSA-N 0 0 193.222 1.663 10 0 ADAERN Cc1cnc(F)nc1N[C@H](C)CF 575570150 410107167 /nfs/dbraw/zinc/10/71/67/410107167.db2.gz KVCXRBFLLWCLAI-ZCFIWIBFSA-N 0 0 187.193 1.694 10 0 ADAERN Cc1nnc(NC[C@]2(C)C[C@H]2C)s1 575569644 410107191 /nfs/dbraw/zinc/10/71/91/410107191.db2.gz IJIZKOMSBHXPQG-MUWHJKNJSA-N 0 0 197.307 2.305 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1ccncn1 575570947 410107215 /nfs/dbraw/zinc/10/72/15/410107215.db2.gz NGYGNTVHAZOVFU-PSASIEDQSA-N 0 0 177.251 1.935 10 0 ADAERN Nc1noc(-c2ncccc2Cl)n1 575569719 410107228 /nfs/dbraw/zinc/10/72/28/410107228.db2.gz QTAQXGVMCJOQKC-UHFFFAOYSA-N 0 0 196.597 1.367 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nnc(N)s1 575569777 410107247 /nfs/dbraw/zinc/10/72/47/410107247.db2.gz DPBNLOXKGVWVDY-FBCQKBJTSA-N 0 0 169.253 1.418 10 0 ADAERN Cc1c(N)n[nH]c1[C@]1(C)C[C@H]1C 575572139 410107265 /nfs/dbraw/zinc/10/72/65/410107265.db2.gz MQLXGBGOORUMHQ-MLUIRONXSA-N 0 0 165.240 1.598 10 0 ADAERN C[C@H](CF)Nc1nccnc1Cl 575571446 410107276 /nfs/dbraw/zinc/10/72/76/410107276.db2.gz PALSJGXLPCAIPO-RXMQYKEDSA-N 0 0 189.621 1.900 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1cccnn1 575571398 410107293 /nfs/dbraw/zinc/10/72/93/410107293.db2.gz ONCGOUJZGILYPT-WPRPVWTQSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1cnc(F)nc1N[C@@H](C)CF 575570148 410107311 /nfs/dbraw/zinc/10/73/11/410107311.db2.gz KVCXRBFLLWCLAI-LURJTMIESA-N 0 0 187.193 1.694 10 0 ADAERN Cc1c(N)n[nH]c1[C@@]1(C)C[C@@H]1C 575572138 410107321 /nfs/dbraw/zinc/10/73/21/410107321.db2.gz MQLXGBGOORUMHQ-CDUCUWFYSA-N 0 0 165.240 1.598 10 0 ADAERN C[C@H](CF)NC1N=NC(=S)S1 575571536 410107334 /nfs/dbraw/zinc/10/73/34/410107334.db2.gz PXUDCFGMFNHMFT-GSVOUGTGSA-N 0 0 193.272 1.597 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1ccncn1 575570950 410107401 /nfs/dbraw/zinc/10/74/01/410107401.db2.gz NGYGNTVHAZOVFU-WPRPVWTQSA-N 0 0 177.251 1.935 10 0 ADAERN Nc1ncc([C@@H](O)[C@H]2CC23CC3)s1 575569843 410107380 /nfs/dbraw/zinc/10/73/80/410107380.db2.gz IOKQOGRELWUPSI-VDTYLAMSSA-N 0 0 196.275 1.559 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1ccncn1 575570948 410107425 /nfs/dbraw/zinc/10/74/25/410107425.db2.gz NGYGNTVHAZOVFU-SCZZXKLOSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@@H](CF)NC1N=NC(=S)S1 575571537 410107464 /nfs/dbraw/zinc/10/74/64/410107464.db2.gz PXUDCFGMFNHMFT-VKHMYHEASA-N 0 0 193.272 1.597 10 0 ADAERN Cc1nnc(NC[C@@]2(C)C[C@@H]2C)s1 575569641 410107473 /nfs/dbraw/zinc/10/74/73/410107473.db2.gz IJIZKOMSBHXPQG-IMTBSYHQSA-N 0 0 197.307 2.305 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ccc(N)nc1 575570734 410107482 /nfs/dbraw/zinc/10/74/82/410107482.db2.gz LQVPHBKGAJBRIX-XVKPBYJWSA-N 0 0 177.251 1.874 10 0 ADAERN Nc1ncc([C@H](O)[C@H]2CC23CC3)s1 575569835 410107506 /nfs/dbraw/zinc/10/75/06/410107506.db2.gz IOKQOGRELWUPSI-IYSWYEEDSA-N 0 0 196.275 1.559 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ccc(N)nc1 575570726 410107543 /nfs/dbraw/zinc/10/75/43/410107543.db2.gz LQVPHBKGAJBRIX-GMSGAONNSA-N 0 0 177.251 1.874 10 0 ADAERN Nc1ncc([C@H](O)[C@@H]2CC23CC3)s1 575569820 410107558 /nfs/dbraw/zinc/10/75/58/410107558.db2.gz IOKQOGRELWUPSI-CAHLUQPWSA-N 0 0 196.275 1.559 10 0 ADAERN C[C@H]1C[C@]1(C)CNc1cccnn1 575571395 410107565 /nfs/dbraw/zinc/10/75/65/410107565.db2.gz ONCGOUJZGILYPT-WCBMZHEXSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1c(N)n[nH]c1C(C)(C)C(F)F 575572217 410107580 /nfs/dbraw/zinc/10/75/80/410107580.db2.gz NFOMFMHTNHYYEI-UHFFFAOYSA-N 0 0 189.209 1.843 10 0 ADAERN Cc1c(N)n[nH]c1[C@@]1(C)C[C@H]1C 575572137 410107597 /nfs/dbraw/zinc/10/75/97/410107597.db2.gz MQLXGBGOORUMHQ-ANLVUFKYSA-N 0 0 165.240 1.598 10 0 ADAERN C[C@@H](CF)Nc1nccnc1Cl 575571449 410107612 /nfs/dbraw/zinc/10/76/12/410107612.db2.gz PALSJGXLPCAIPO-YFKPBYRVSA-N 0 0 189.621 1.900 10 0 ADAERN Nc1n[nH]c([C@H]2CC23CC3)c1F 575574495 410109912 /nfs/dbraw/zinc/10/99/12/410109912.db2.gz WIRWBCWYACHHOU-SCSAIBSYSA-N 0 0 167.187 1.399 10 0 ADAERN CC(C)(c1cc(N)n[nH]1)C(F)F 575571716 410107647 /nfs/dbraw/zinc/10/76/47/410107647.db2.gz KUZBDJIPLIIRMA-UHFFFAOYSA-N 0 0 175.182 1.535 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ccc(N)nc1 575570731 410107653 /nfs/dbraw/zinc/10/76/53/410107653.db2.gz LQVPHBKGAJBRIX-XCBNKYQSSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1nnc(NC[C@@]2(C)C[C@H]2C)s1 575569640 410107664 /nfs/dbraw/zinc/10/76/64/410107664.db2.gz IJIZKOMSBHXPQG-HZGVNTEJSA-N 0 0 197.307 2.305 10 0 ADAERN Nc1ncc([C@@H](O)[C@@H]2CC23CC3)s1 575569833 410107674 /nfs/dbraw/zinc/10/76/74/410107674.db2.gz IOKQOGRELWUPSI-FSPLSTOPSA-N 0 0 196.275 1.559 10 0 ADAERN CC1(C)C[C@]1(C)Nc1nc(N)ns1 575578765 410111688 /nfs/dbraw/zinc/11/16/88/410111688.db2.gz IIIFLCNHZZGCAP-QMMMGPOBSA-N 0 0 198.295 1.721 10 0 ADAERN Nc1nc([C@H]2CC23CC3)cs1 575584276 410113182 /nfs/dbraw/zinc/11/31/82/410113182.db2.gz PFKNCEMSRCNOND-RXMQYKEDSA-N 0 0 166.249 1.993 10 0 ADAERN Cc1c(N)n[nH]c1[C@]1(C)C[C@@H]1C 575572140 410107740 /nfs/dbraw/zinc/10/77/40/410107740.db2.gz MQLXGBGOORUMHQ-SSDLBLMSSA-N 0 0 165.240 1.598 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1nnc(N)s1 575569774 410107787 /nfs/dbraw/zinc/10/77/87/410107787.db2.gz DPBNLOXKGVWVDY-CLZZGJSISA-N 0 0 169.253 1.418 10 0 ADAERN C[C@H]1C[C@]1(C)c1nnc(N)s1 575569779 410107802 /nfs/dbraw/zinc/10/78/02/410107802.db2.gz DPBNLOXKGVWVDY-FFWSUHOLSA-N 0 0 169.253 1.418 10 0 ADAERN C[C@H]1C[C@]1(C)CNc1ccncn1 575570949 410107808 /nfs/dbraw/zinc/10/78/08/410107808.db2.gz NGYGNTVHAZOVFU-WCBMZHEXSA-N 0 0 177.251 1.935 10 0 ADAERN CC(C)(c1nc(N)ns1)C(F)F 575570481 410107816 /nfs/dbraw/zinc/10/78/16/410107816.db2.gz UGHUSLGTVTVIMP-UHFFFAOYSA-N 0 0 193.222 1.663 10 0 ADAERN CC(C)(c1cc(N)no1)C(F)F 575569771 410107846 /nfs/dbraw/zinc/10/78/46/410107846.db2.gz NFYPXHVEUDYDSH-UHFFFAOYSA-N 0 0 176.166 1.800 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1cccnn1 575571391 410107866 /nfs/dbraw/zinc/10/78/66/410107866.db2.gz ONCGOUJZGILYPT-SCZZXKLOSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1cccnn1 575571388 410107872 /nfs/dbraw/zinc/10/78/72/410107872.db2.gz ONCGOUJZGILYPT-PSASIEDQSA-N 0 0 177.251 1.935 10 0 ADAERN Cc1nnc(NC[C@]2(C)C[C@@H]2C)s1 575569651 410107912 /nfs/dbraw/zinc/10/79/12/410107912.db2.gz IJIZKOMSBHXPQG-RCOVLWMOSA-N 0 0 197.307 2.305 10 0 ADAERN C[C@@H]1C[C@]1(C)CNc1cnccn1 575571947 410107931 /nfs/dbraw/zinc/10/79/31/410107931.db2.gz RBFVNLWSMOMKFX-PSASIEDQSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@H]1C[C@@]1(C)CNc1cnccn1 575571950 410107946 /nfs/dbraw/zinc/10/79/46/410107946.db2.gz RBFVNLWSMOMKFX-WPRPVWTQSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ccc(N)nc1 575570728 410107951 /nfs/dbraw/zinc/10/79/51/410107951.db2.gz LQVPHBKGAJBRIX-OIBJUYFYSA-N 0 0 177.251 1.874 10 0 ADAERN CC(C)(c1nc(N)no1)C(F)F 575571737 410107971 /nfs/dbraw/zinc/10/79/71/410107971.db2.gz KZIVITHEEWNNQD-UHFFFAOYSA-N 0 0 177.154 1.195 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNc1cnccn1 575571948 410107977 /nfs/dbraw/zinc/10/79/77/410107977.db2.gz RBFVNLWSMOMKFX-SCZZXKLOSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@H]1C[C@]1(C)CNc1cnccn1 575571949 410107996 /nfs/dbraw/zinc/10/79/96/410107996.db2.gz RBFVNLWSMOMKFX-WCBMZHEXSA-N 0 0 177.251 1.935 10 0 ADAERN C[C@H]1C[C@@]1(C)c1nnc(N)s1 575569800 410108008 /nfs/dbraw/zinc/10/80/08/410108008.db2.gz DPBNLOXKGVWVDY-MHTLYPKNSA-N 0 0 169.253 1.418 10 0 ADAERN CC[C@H]1C[C@@H]1c1[nH]nc(N)c1F 575574036 410108833 /nfs/dbraw/zinc/10/88/33/410108833.db2.gz FEANPWXTFINMID-WHFBIAKZSA-N 0 0 169.203 1.645 10 0 ADAERN CC[C@@H]1C[C@H]1c1[nH]nc(N)c1F 575573964 410108864 /nfs/dbraw/zinc/10/88/64/410108864.db2.gz FEANPWXTFINMID-RFZPGFLSSA-N 0 0 169.203 1.645 10 0 ADAERN Nc1n[nH]c([C@@H]2[C@H]3CCC[C@H]32)c1F 575574340 410108884 /nfs/dbraw/zinc/10/88/84/410108884.db2.gz RUTNVBFWGMIUCF-FMCRUOTFSA-N 0 0 181.214 1.645 10 0 ADAERN CCc1c(N)n[nH]c1[C@@]1(C)C[C@@H]1C 575573118 410108895 /nfs/dbraw/zinc/10/88/95/410108895.db2.gz STHVANQRXWDZJI-WKEGUHRASA-N 0 0 179.267 1.852 10 0 ADAERN C[C@H]1C[C@]1(C)c1cc(N)n[nH]1 575573077 410108910 /nfs/dbraw/zinc/10/89/10/410108910.db2.gz SHQYDTIKHZXADZ-XNCJUZBTSA-N 0 0 151.213 1.289 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1cc(N)n[nH]1 575573074 410108920 /nfs/dbraw/zinc/10/89/20/410108920.db2.gz SHQYDTIKHZXADZ-SVGQVSJJSA-N 0 0 151.213 1.289 10 0 ADAERN C[C@@H]1C[C@]1(C)c1cc(N)n[nH]1 575573079 410108925 /nfs/dbraw/zinc/10/89/25/410108925.db2.gz SHQYDTIKHZXADZ-XRGYYRRGSA-N 0 0 151.213 1.289 10 0 ADAERN Cc1cc(-c2[nH]nc(N)c2F)co1 575574339 410108957 /nfs/dbraw/zinc/10/89/57/410108957.db2.gz RSRFCLOFHGTMSX-UHFFFAOYSA-N 0 0 181.170 1.699 10 0 ADAERN Cc1ccoc1-c1[nH]nc(N)c1F 575574209 410108998 /nfs/dbraw/zinc/10/89/98/410108998.db2.gz MEPXUMQYXBMOOU-UHFFFAOYSA-N 0 0 181.170 1.699 10 0 ADAERN Cc1cscc1-c1[nH]nc(N)c1F 575574344 410109017 /nfs/dbraw/zinc/10/90/17/410109017.db2.gz RXCYGONODFWJHW-UHFFFAOYSA-N 0 0 197.238 2.168 10 0 ADAERN C[C@H]1C[C@@]1(C)c1[nH]nc(N)c1F 575574531 410109041 /nfs/dbraw/zinc/10/90/41/410109041.db2.gz YUGWBBQQWWLVIP-RNHFCUEFSA-N 0 0 169.203 1.429 10 0 ADAERN C[C@@H]1CCC[C@@H]1c1[nH]nc(N)c1F 575574227 410109052 /nfs/dbraw/zinc/10/90/52/410109052.db2.gz NCUKWWMMBBBSMF-RITPCOANSA-N 0 0 183.230 2.035 10 0 ADAERN CC[C@@H]1C[C@@H]1c1[nH]nc(N)c1F 575573968 410109118 /nfs/dbraw/zinc/10/91/18/410109118.db2.gz FEANPWXTFINMID-UHNVWZDZSA-N 0 0 169.203 1.645 10 0 ADAERN Nc1n[nH]c([C@@H]2C[C@@H]2C2CC2)c1F 575574126 410109165 /nfs/dbraw/zinc/10/91/65/410109165.db2.gz IUNHADYBRUPYLS-PHDIDXHHSA-N 0 0 181.214 1.645 10 0 ADAERN CC1(C)C[C@@]1(C)c1[nH]nc(N)c1F 575573827 410109174 /nfs/dbraw/zinc/10/91/74/410109174.db2.gz BQJBFAWHYQZIBY-VIFPVBQESA-N 0 0 183.230 1.819 10 0 ADAERN Nc1n[nH]c([C@H]2C[C@H]2C2CC2)c1F 575574128 410109199 /nfs/dbraw/zinc/10/91/99/410109199.db2.gz IUNHADYBRUPYLS-WDSKDSINSA-N 0 0 181.214 1.645 10 0 ADAERN CC1(C)CC(c2[nH]nc(N)c2F)C1 575574320 410109225 /nfs/dbraw/zinc/10/92/25/410109225.db2.gz QRXOIOXAKNCWLK-UHFFFAOYSA-N 0 0 183.230 2.035 10 0 ADAERN Nc1n[nH]c([C@@H]2C[C@@H]3C[C@@H]3C2)c1F 575574039 410109267 /nfs/dbraw/zinc/10/92/67/410109267.db2.gz FLQZEXMLZXIROM-FMCRUOTFSA-N 0 0 181.214 1.645 10 0 ADAERN CCc1c(N)n[nH]c1[C@]1(C)C[C@H]1C 575573116 410109299 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Nc1n[nH]c([C@H]2C[C@@H]2C2CC2)c1F 575574127 410109467 /nfs/dbraw/zinc/10/94/67/410109467.db2.gz IUNHADYBRUPYLS-RITPCOANSA-N 0 0 181.214 1.645 10 0 ADAERN C[C@@H]1CCC[C@H]1c1[nH]nc(N)c1F 575574226 410109480 /nfs/dbraw/zinc/10/94/80/410109480.db2.gz NCUKWWMMBBBSMF-PHDIDXHHSA-N 0 0 183.230 2.035 10 0 ADAERN CC(C)(c1[nH]nc(N)c1F)C(F)F 575574297 410109530 /nfs/dbraw/zinc/10/95/30/410109530.db2.gz QCJVQTLOTHVTHZ-UHFFFAOYSA-N 0 0 193.172 1.674 10 0 ADAERN Nc1n[nH]c(-c2cncs2)c1F 575574094 410109554 /nfs/dbraw/zinc/10/95/54/410109554.db2.gz HVKRIGSGUAHNIH-UHFFFAOYSA-N 0 0 184.199 1.255 10 0 ADAERN Nc1n[nH]c([C@H]2C[C@@H]3C[C@@H]3C2)c1F 575574040 410109564 /nfs/dbraw/zinc/10/95/64/410109564.db2.gz FLQZEXMLZXIROM-FPFOFBBKSA-N 0 0 181.214 1.645 10 0 ADAERN CC(C)C1(c2[nH]nc(N)c2F)CC1 575574446 410109609 /nfs/dbraw/zinc/10/96/09/410109609.db2.gz STXPWRMCYIQXCU-UHFFFAOYSA-N 0 0 183.230 1.819 10 0 ADAERN CC(C)(c1nnc(N)o1)C(F)F 575573172 410109623 /nfs/dbraw/zinc/10/96/23/410109623.db2.gz 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/nfs/dbraw/zinc/10/97/45/410109745.db2.gz MTELSVNKHYDRGL-UHFFFAOYSA-N 0 0 197.238 2.168 10 0 ADAERN CC1(C)C[C@]1(C)c1[nH]nc(N)c1F 575573822 410109752 /nfs/dbraw/zinc/10/97/52/410109752.db2.gz BQJBFAWHYQZIBY-SECBINFHSA-N 0 0 183.230 1.819 10 0 ADAERN C[C@H]1CCC[C@@H]1c1[nH]nc(N)c1F 575574228 410109758 /nfs/dbraw/zinc/10/97/58/410109758.db2.gz NCUKWWMMBBBSMF-WDSKDSINSA-N 0 0 183.230 2.035 10 0 ADAERN C[C@@H]1C[C@]1(C)c1[nH]nc(N)c1F 575574533 410109765 /nfs/dbraw/zinc/10/97/65/410109765.db2.gz YUGWBBQQWWLVIP-VHWMUFPASA-N 0 0 169.203 1.429 10 0 ADAERN CCc1c(N)n[nH]c1[C@]1(C)C[C@@H]1C 575573117 410109779 /nfs/dbraw/zinc/10/97/79/410109779.db2.gz STHVANQRXWDZJI-QUBYGPBYSA-N 0 0 179.267 1.852 10 0 ADAERN C[C@H]1CCC[C@H]1c1[nH]nc(N)c1F 575574225 410109794 /nfs/dbraw/zinc/10/97/94/410109794.db2.gz NCUKWWMMBBBSMF-NTSWFWBYSA-N 0 0 183.230 2.035 10 0 ADAERN CCc1c(N)n[nH]c1[C@@]1(C)C[C@H]1C 575573115 410109805 /nfs/dbraw/zinc/10/98/05/410109805.db2.gz STHVANQRXWDZJI-LDWIPMOCSA-N 0 0 179.267 1.852 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RXGQFUKXYFBARP-MLUIRONXSA-N 0 0 181.214 1.573 10 0 ADAERN C[C@H]1C[C@]1(C)c1[nH]nc(N)c1F 575574530 410109877 /nfs/dbraw/zinc/10/98/77/410109877.db2.gz YUGWBBQQWWLVIP-NVNXEXLPSA-N 0 0 169.203 1.429 10 0 ADAERN C[C@H](c1[nH]nc(N)c1F)C1CCC1 575574528 410109881 /nfs/dbraw/zinc/10/98/81/410109881.db2.gz YMSXXWFNNRXBKN-YFKPBYRVSA-N 0 0 183.230 2.035 10 0 ADAERN Nc1n[nH]c([C@@H]2C[C@H]2C2CC2)c1F 575574125 410109917 /nfs/dbraw/zinc/10/99/17/410109917.db2.gz IUNHADYBRUPYLS-NTSWFWBYSA-N 0 0 181.214 1.645 10 0 ADAERN Cc1ccc(N[C@@]2(C)C[C@H]2C)nn1 575578146 410110537 /nfs/dbraw/zinc/11/05/37/410110537.db2.gz GWIJOVSTGMLVEV-XCBNKYQSSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnnc(N[C@]2(C)C[C@@H]2C)c1 575578086 410110568 /nfs/dbraw/zinc/11/05/68/410110568.db2.gz GAVLMOLNFHIIEA-WCBMZHEXSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1nncs1 575576591 410110584 /nfs/dbraw/zinc/11/05/84/410110584.db2.gz UGDBAEJGHMSCFC-CAHLUQPWSA-N 0 0 169.253 1.749 10 0 ADAERN CCc1c(N)n[nH]c1-c1ccsn1 575576980 410110607 /nfs/dbraw/zinc/11/06/07/410110607.db2.gz NRKCPQSBBHPZRJ-UHFFFAOYSA-N 0 0 194.263 1.678 10 0 ADAERN Cc1ccc(N[C@]2(C)C[C@@H]2C)nn1 575578144 410110623 /nfs/dbraw/zinc/11/06/23/410110623.db2.gz GWIJOVSTGMLVEV-OIBJUYFYSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ccc(Cl)nn1 575576915 410110650 /nfs/dbraw/zinc/11/06/50/410110650.db2.gz ASUWXHWJHBGQFQ-MUWHJKNJSA-N 0 0 197.669 2.340 10 0 ADAERN Cc1ccc(N[C@]2(C)C[C@H]2C)nn1 575578143 410110712 /nfs/dbraw/zinc/11/07/12/410110712.db2.gz GWIJOVSTGMLVEV-GMSGAONNSA-N 0 0 177.251 1.995 10 0 ADAERN CC1(C)C[C@@]1(C)Nc1nc(N)ns1 575578736 410110724 /nfs/dbraw/zinc/11/07/24/410110724.db2.gz IIIFLCNHZZGCAP-MRVPVSSYSA-N 0 0 198.295 1.721 10 0 ADAERN COC1CC(c2onc(N)c2C)C1 575577913 410110737 /nfs/dbraw/zinc/11/07/37/410110737.db2.gz RUHKZTGLUHWGKY-UHFFFAOYSA-N 0 0 182.223 1.458 10 0 ADAERN COC1CC(c2[nH]nc(N)c2C)C1 575576016 410110769 /nfs/dbraw/zinc/11/07/69/410110769.db2.gz PDYBORDQIPQONG-UHFFFAOYSA-N 0 0 181.239 1.193 10 0 ADAERN Cc1nnc(N[C@]2(C)C[C@H]2C)s1 575577586 410110783 /nfs/dbraw/zinc/11/07/83/410110783.db2.gz DFNYADVZRNOZLV-SVGQVSJJSA-N 0 0 183.280 2.057 10 0 ADAERN Cc1cnnc(N[C@]2(C)C[C@H]2C)c1 575578075 410110815 /nfs/dbraw/zinc/11/08/15/410110815.db2.gz GAVLMOLNFHIIEA-PSASIEDQSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nccnc1N[C@]1(C)C[C@@H]1C 575578999 410110868 /nfs/dbraw/zinc/11/08/68/410110868.db2.gz JJAFCSHBWRKTMY-OIBJUYFYSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cnc(Cl)cn1 575579493 410111203 /nfs/dbraw/zinc/11/12/03/410111203.db2.gz LYTYXBNACVXJSG-IMTBSYHQSA-N 0 0 197.669 2.340 10 0 ADAERN Cc1ccc(N[C@@]2(C)C[C@@H]2C)nn1 575578147 410110983 /nfs/dbraw/zinc/11/09/83/410110983.db2.gz GWIJOVSTGMLVEV-XVKPBYJWSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1cnnc(N[C@@]2(C)C[C@@H]2C)c1 575578088 410111016 /nfs/dbraw/zinc/11/10/16/410111016.db2.gz GAVLMOLNFHIIEA-WPRPVWTQSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@@H](CF)Nc1nc(Cl)cs1 575578230 410111041 /nfs/dbraw/zinc/11/10/41/410111041.db2.gz HEBRLKJYUYOEBS-BYPYZUCNSA-N 0 0 194.662 2.566 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1nncs1 575576595 410111074 /nfs/dbraw/zinc/11/10/74/410111074.db2.gz UGDBAEJGHMSCFC-FSPLSTOPSA-N 0 0 169.253 1.749 10 0 ADAERN CCNc1ncc([C@H]2CCCO2)s1 575576627 410111085 /nfs/dbraw/zinc/11/10/85/410111085.db2.gz UOXPOERLJXRNHY-SSDOTTSWSA-N 0 0 198.291 2.426 10 0 ADAERN Cc1nccnc1N[C@]1(C)C[C@H]1C 575578997 410111096 /nfs/dbraw/zinc/11/10/96/410111096.db2.gz JJAFCSHBWRKTMY-GMSGAONNSA-N 0 0 177.251 1.995 10 0 ADAERN CC1(C)CC(c2nnc(N)s2)C1 575576017 410111120 /nfs/dbraw/zinc/11/11/20/410111120.db2.gz KLQOZNZPIQERDX-UHFFFAOYSA-N 0 0 183.280 2.024 10 0 ADAERN Cc1nccnc1N[C@@]1(C)C[C@@H]1C 575579005 410111131 /nfs/dbraw/zinc/11/11/31/410111131.db2.gz JJAFCSHBWRKTMY-XVKPBYJWSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1nnc(N[C@@]2(C)C[C@@H]2C)s1 575577589 410111192 /nfs/dbraw/zinc/11/11/92/410111192.db2.gz DFNYADVZRNOZLV-XNCJUZBTSA-N 0 0 183.280 2.057 10 0 ADAERN CC(C)Nc1nc2cnccc2s1 575575203 410111212 /nfs/dbraw/zinc/11/12/12/410111212.db2.gz FNYININYPHVBBL-UHFFFAOYSA-N 0 0 193.275 2.512 10 0 ADAERN Cc1csc(N[C@@H](C)CF)n1 575577044 410111227 /nfs/dbraw/zinc/11/12/27/410111227.db2.gz BCZFRQGWRJGQTO-YFKPBYRVSA-N 0 0 174.244 2.221 10 0 ADAERN CNc1ncc([C@@H]2CCCO2)s1 575575279 410111251 /nfs/dbraw/zinc/11/12/51/410111251.db2.gz GKHINWSNAZRCHT-LURJTMIESA-N 0 0 184.264 2.036 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ccc(Cl)nn1 575576895 410111261 /nfs/dbraw/zinc/11/12/61/410111261.db2.gz ASUWXHWJHBGQFQ-HZGVNTEJSA-N 0 0 197.669 2.340 10 0 ADAERN Cc1c(N)n[nH]c1-c1ccsn1 575576592 410111271 /nfs/dbraw/zinc/11/12/71/410111271.db2.gz KZVRBOUHOVVRFQ-UHFFFAOYSA-N 0 0 180.236 1.424 10 0 ADAERN CNc1ncc([C@H]2CCCO2)s1 575575281 410111317 /nfs/dbraw/zinc/11/13/17/410111317.db2.gz GKHINWSNAZRCHT-ZCFIWIBFSA-N 0 0 184.264 2.036 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ccc(Cl)nn1 575576919 410111339 /nfs/dbraw/zinc/11/13/39/410111339.db2.gz ASUWXHWJHBGQFQ-RCOVLWMOSA-N 0 0 197.669 2.340 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ccc(Cl)nn1 575576908 410111348 /nfs/dbraw/zinc/11/13/48/410111348.db2.gz ASUWXHWJHBGQFQ-IMTBSYHQSA-N 0 0 197.669 2.340 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cccnn1 575579538 410111360 /nfs/dbraw/zinc/11/13/60/410111360.db2.gz MQYDBACKKHNRPX-CBAPKCEASA-N 0 0 163.224 1.687 10 0 ADAERN Cc1cnnc(N[C@@]2(C)C[C@H]2C)c1 575578085 410111401 /nfs/dbraw/zinc/11/14/01/410111401.db2.gz GAVLMOLNFHIIEA-SCZZXKLOSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cnc(Cl)cn1 575579495 410111446 /nfs/dbraw/zinc/11/14/46/410111446.db2.gz LYTYXBNACVXJSG-RCOVLWMOSA-N 0 0 197.669 2.340 10 0 ADAERN C[C@H](CF)Nc1nc(Cl)cs1 575578235 410111470 /nfs/dbraw/zinc/11/14/70/410111470.db2.gz HEBRLKJYUYOEBS-SCSAIBSYSA-N 0 0 194.662 2.566 10 0 ADAERN CCNc1ncc([C@@H]2CCCO2)s1 575576629 410111490 /nfs/dbraw/zinc/11/14/90/410111490.db2.gz UOXPOERLJXRNHY-ZETCQYMHSA-N 0 0 198.291 2.426 10 0 ADAERN CCCNc1nc2cnccc2s1 575575341 410111522 /nfs/dbraw/zinc/11/15/22/410111522.db2.gz HNBCBHIQMGWXNN-UHFFFAOYSA-N 0 0 193.275 2.513 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1nncs1 575576598 410111533 /nfs/dbraw/zinc/11/15/33/410111533.db2.gz UGDBAEJGHMSCFC-IYSWYEEDSA-N 0 0 169.253 1.749 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cnc(Cl)cn1 575579494 410111551 /nfs/dbraw/zinc/11/15/51/410111551.db2.gz LYTYXBNACVXJSG-MUWHJKNJSA-N 0 0 197.669 2.340 10 0 ADAERN Cc1nccnc1N[C@@]1(C)C[C@H]1C 575579002 410111559 /nfs/dbraw/zinc/11/15/59/410111559.db2.gz JJAFCSHBWRKTMY-XCBNKYQSSA-N 0 0 177.251 1.995 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cccnn1 575579537 410111566 /nfs/dbraw/zinc/11/15/66/410111566.db2.gz MQYDBACKKHNRPX-APPZFPTMSA-N 0 0 163.224 1.687 10 0 ADAERN Cc1nnc(N[C@]2(C)C[C@@H]2C)s1 575577595 410111600 /nfs/dbraw/zinc/11/16/00/410111600.db2.gz DFNYADVZRNOZLV-YLWLKBPMSA-N 0 0 183.280 2.057 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1nncs1 575576601 410111606 /nfs/dbraw/zinc/11/16/06/410111606.db2.gz UGDBAEJGHMSCFC-VDTYLAMSSA-N 0 0 169.253 1.749 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cccnn1 575579540 410111627 /nfs/dbraw/zinc/11/16/27/410111627.db2.gz MQYDBACKKHNRPX-VXNVDRBHSA-N 0 0 163.224 1.687 10 0 ADAERN CCc1c(N)n[nH]c1-c1ccns1 575578655 410111644 /nfs/dbraw/zinc/11/16/44/410111644.db2.gz YDUTXWHSAVDUIV-UHFFFAOYSA-N 0 0 194.263 1.678 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cccnn1 575579539 410111678 /nfs/dbraw/zinc/11/16/78/410111678.db2.gz MQYDBACKKHNRPX-IONNQARKSA-N 0 0 163.224 1.687 10 0 ADAERN Cc1csc(N[C@H](C)CF)n1 575577036 410111697 /nfs/dbraw/zinc/11/16/97/410111697.db2.gz BCZFRQGWRJGQTO-RXMQYKEDSA-N 0 0 174.244 2.221 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cnc(Cl)cn1 575579491 410111719 /nfs/dbraw/zinc/11/17/19/410111719.db2.gz LYTYXBNACVXJSG-HZGVNTEJSA-N 0 0 197.669 2.340 10 0 ADAERN CC1(C)CC(c2nc(N)no2)C1 575575322 410111732 /nfs/dbraw/zinc/11/17/32/410111732.db2.gz FZGBHASLBBCMRV-UHFFFAOYSA-N 0 0 167.212 1.555 10 0 ADAERN Cc1nnc(N[C@@]2(C)C[C@H]2C)s1 575577591 410111742 /nfs/dbraw/zinc/11/17/42/410111742.db2.gz DFNYADVZRNOZLV-XRGYYRRGSA-N 0 0 183.280 2.057 10 0 ADAERN c1cc2sc(NC3CC3)nc2cn1 575576417 410111753 /nfs/dbraw/zinc/11/17/53/410111753.db2.gz SSUKAZAEIJQCNT-UHFFFAOYSA-N 0 0 191.259 2.266 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cnccn1 575580685 410112231 /nfs/dbraw/zinc/11/22/31/410112231.db2.gz WVLXZBPJIUAICJ-CBAPKCEASA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1csc(N)n1 575583189 410112305 /nfs/dbraw/zinc/11/23/05/410112305.db2.gz LAYLFGPITUACAB-SVGQVSJJSA-N 0 0 168.265 2.023 10 0 ADAERN C[C@H]1CN(c2ccc(N)nc2)[C@H]1C 575582431 410112318 /nfs/dbraw/zinc/11/23/18/410112318.db2.gz FKDNYIKDCVVVOK-YUMQZZPRSA-N 0 0 177.251 1.508 10 0 ADAERN CCc1c(N)noc1[C@@]1(C)C[C@@H]1C 575584526 410112346 /nfs/dbraw/zinc/11/23/46/410112346.db2.gz VZYRZIOQUQEAAK-WKEGUHRASA-N 0 0 180.251 2.117 10 0 ADAERN C[C@@H](CF)Nc1ccc(N)nc1 575580854 410112357 /nfs/dbraw/zinc/11/23/57/410112357.db2.gz YRMPGONHZVWTLE-LURJTMIESA-N 0 0 169.203 1.434 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1nc(N)nc(Cl)n1 575582060 410112388 /nfs/dbraw/zinc/11/23/88/410112388.db2.gz BXXDATJGJAEFTP-SPGJFGJESA-N 0 0 198.657 1.405 10 0 ADAERN C[C@H]1[C@H](C)CN1c1ccc(N)nc1 575582430 410112401 /nfs/dbraw/zinc/11/24/01/410112401.db2.gz FKDNYIKDCVVVOK-SFYZADRCSA-N 0 0 177.251 1.508 10 0 ADAERN Cc1c(N)noc1[C@@]1(C)C[C@H]1C 575584348 410112411 /nfs/dbraw/zinc/11/24/11/410112411.db2.gz UVDGAGNGPLRROK-ANLVUFKYSA-N 0 0 166.224 1.863 10 0 ADAERN Cc1nnc(N[C@@H](C)CF)s1 575580603 410112452 /nfs/dbraw/zinc/11/24/52/410112452.db2.gz VIMYCWOLJDYHOF-BYPYZUCNSA-N 0 0 175.232 1.616 10 0 ADAERN CC1(C)C[C@]1(C)c1nc(N)ns1 575584514 410112481 /nfs/dbraw/zinc/11/24/81/410112481.db2.gz VSWBFPJFGFLAAP-MRVPVSSYSA-N 0 0 183.280 1.808 10 0 ADAERN C[C@H]1C[C@]1(C)c1cc(N)no1 575582834 410112509 /nfs/dbraw/zinc/11/25/09/410112509.db2.gz IBUNQYMBEYSHFL-XNCJUZBTSA-N 0 0 152.197 1.554 10 0 ADAERN Cc1c(N)noc1[C@]1(C)C[C@@H]1C 575584351 410112539 /nfs/dbraw/zinc/11/25/39/410112539.db2.gz UVDGAGNGPLRROK-SSDLBLMSSA-N 0 0 166.224 1.863 10 0 ADAERN CC1(C)C[C@]1(C)c1cc(N)no1 575584065 410112548 /nfs/dbraw/zinc/11/25/48/410112548.db2.gz RVLAKUYKDRNMHG-SECBINFHSA-N 0 0 166.224 1.944 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cnccn1 575580686 410112561 /nfs/dbraw/zinc/11/25/61/410112561.db2.gz WVLXZBPJIUAICJ-IONNQARKSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@@H](CF)Nc1cnc(Cl)cn1 575580429 410112570 /nfs/dbraw/zinc/11/25/70/410112570.db2.gz SXPFFFKMLQWUKW-YFKPBYRVSA-N 0 0 189.621 1.900 10 0 ADAERN Nc1nc([C@@H]2CC23CC3)cs1 575584278 410112582 /nfs/dbraw/zinc/11/25/82/410112582.db2.gz PFKNCEMSRCNOND-YFKPBYRVSA-N 0 0 166.249 1.993 10 0 ADAERN CC1(C)CC(c2cc(N)no2)C1 575584371 410112623 /nfs/dbraw/zinc/11/26/23/410112623.db2.gz VGVCPHJLYHPNJQ-UHFFFAOYSA-N 0 0 166.224 2.160 10 0 ADAERN Nc1nc(Cl)nc([C@@H]2CC23CC3)n1 575582017 410112643 /nfs/dbraw/zinc/11/26/43/410112643.db2.gz BCKPPURDGDZSSQ-BYPYZUCNSA-N 0 0 196.641 1.375 10 0 ADAERN CC1(C)C[C@@]1(C)c1cc(N)no1 575584066 410112613 /nfs/dbraw/zinc/11/26/13/410112613.db2.gz RVLAKUYKDRNMHG-VIFPVBQESA-N 0 0 166.224 1.944 10 0 ADAERN C[C@H]1CN(c2ccc(N)nc2)[C@@H]1C 575582429 410112688 /nfs/dbraw/zinc/11/26/88/410112688.db2.gz FKDNYIKDCVVVOK-JGVFFNPUSA-N 0 0 177.251 1.508 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cnccn1 575580687 410112705 /nfs/dbraw/zinc/11/27/05/410112705.db2.gz WVLXZBPJIUAICJ-VXNVDRBHSA-N 0 0 163.224 1.687 10 0 ADAERN C[C@H]1C[C@@]1(C)c1cc(N)no1 575582836 410112746 /nfs/dbraw/zinc/11/27/46/410112746.db2.gz IBUNQYMBEYSHFL-YLWLKBPMSA-N 0 0 152.197 1.554 10 0 ADAERN CCc1c(N)noc1[C@]1(C)C[C@H]1C 575584524 410112776 /nfs/dbraw/zinc/11/27/76/410112776.db2.gz VZYRZIOQUQEAAK-LHLIQPBNSA-N 0 0 180.251 2.117 10 0 ADAERN C[C@@H]1C[C@]1(C)c1csc(N)n1 575583234 410112791 /nfs/dbraw/zinc/11/27/91/410112791.db2.gz LAYLFGPITUACAB-XRGYYRRGSA-N 0 0 168.265 2.023 10 0 ADAERN Cc1c(N)noc1[C@@]1(C)C[C@@H]1C 575584349 410112807 /nfs/dbraw/zinc/11/28/07/410112807.db2.gz UVDGAGNGPLRROK-CDUCUWFYSA-N 0 0 166.224 1.863 10 0 ADAERN C[C@H](CF)Nc1ccc(N)nc1 575580856 410112814 /nfs/dbraw/zinc/11/28/14/410112814.db2.gz YRMPGONHZVWTLE-ZCFIWIBFSA-N 0 0 169.203 1.434 10 0 ADAERN Nc1nc(CN2CC[C@H]3C[C@H]32)cs1 575582089 410112826 /nfs/dbraw/zinc/11/28/26/410112826.db2.gz BYDDXTRYRQKEIF-POYBYMJQSA-N 0 0 195.291 1.320 10 0 ADAERN Nc1nc(Cl)nc([C@H]2CC23CC3)n1 575582023 410112939 /nfs/dbraw/zinc/11/29/39/410112939.db2.gz BCKPPURDGDZSSQ-SCSAIBSYSA-N 0 0 196.641 1.375 10 0 ADAERN C[C@@H]1CN(c2ccc(N)nc2)[C@@H]1C 575582428 410113032 /nfs/dbraw/zinc/11/30/32/410113032.db2.gz FKDNYIKDCVVVOK-HTQZYQBOSA-N 0 0 177.251 1.508 10 0 ADAERN C[C@H]1C[C@]1(C)c1csc(N)n1 575583233 410113057 /nfs/dbraw/zinc/11/30/57/410113057.db2.gz LAYLFGPITUACAB-XNCJUZBTSA-N 0 0 168.265 2.023 10 0 ADAERN Cc1c(N)noc1[C@]1(C)C[C@H]1C 575584350 410113075 /nfs/dbraw/zinc/11/30/75/410113075.db2.gz UVDGAGNGPLRROK-MLUIRONXSA-N 0 0 166.224 1.863 10 0 ADAERN CCc1c(N)noc1[C@]1(C)C[C@@H]1C 575584525 410113103 /nfs/dbraw/zinc/11/31/03/410113103.db2.gz VZYRZIOQUQEAAK-QUBYGPBYSA-N 0 0 180.251 2.117 10 0 ADAERN C[C@@H]1C[C@]1(C)c1cc(N)no1 575582835 410113203 /nfs/dbraw/zinc/11/32/03/410113203.db2.gz IBUNQYMBEYSHFL-XRGYYRRGSA-N 0 0 152.197 1.554 10 0 ADAERN C[C@H]1C[C@@]1(C)c1csc(N)n1 575583235 410113263 /nfs/dbraw/zinc/11/32/63/410113263.db2.gz LAYLFGPITUACAB-YLWLKBPMSA-N 0 0 168.265 2.023 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nc(N)nc(Cl)n1 575582061 410113319 /nfs/dbraw/zinc/11/33/19/410113319.db2.gz BXXDATJGJAEFTP-VHWMUFPASA-N 0 0 198.657 1.405 10 0 ADAERN CC1(C)C[C@@]1(C)c1nc(N)ns1 575584515 410113350 /nfs/dbraw/zinc/11/33/50/410113350.db2.gz VSWBFPJFGFLAAP-QMMMGPOBSA-N 0 0 183.280 1.808 10 0 ADAERN C[C@H]1C[C@]1(C)c1nc(N)nc(Cl)n1 575582057 410113462 /nfs/dbraw/zinc/11/34/62/410113462.db2.gz BXXDATJGJAEFTP-NVNXEXLPSA-N 0 0 198.657 1.405 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1cc(N)no1 575582833 410113572 /nfs/dbraw/zinc/11/35/72/410113572.db2.gz IBUNQYMBEYSHFL-SVGQVSJJSA-N 0 0 152.197 1.554 10 0 ADAERN c1nnc(N[C@@H]2CCCC23CC3)s1 575580958 410113594 /nfs/dbraw/zinc/11/35/94/410113594.db2.gz IJVYPQLPYRQVNN-SSDOTTSWSA-N 0 0 195.291 2.283 10 0 ADAERN Nc1nc(CN2CC[C@@H]3C[C@@H]32)cs1 575582090 410113603 /nfs/dbraw/zinc/11/36/03/410113603.db2.gz BYDDXTRYRQKEIF-SVRRBLITSA-N 0 0 195.291 1.320 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cnccn1 575580684 410113637 /nfs/dbraw/zinc/11/36/37/410113637.db2.gz WVLXZBPJIUAICJ-APPZFPTMSA-N 0 0 163.224 1.687 10 0 ADAERN CCc1c(N)noc1[C@@]1(C)C[C@H]1C 575584523 410113667 /nfs/dbraw/zinc/11/36/67/410113667.db2.gz VZYRZIOQUQEAAK-LDWIPMOCSA-N 0 0 180.251 2.117 10 0 ADAERN C[C@H](CF)Nc1cnc(Cl)cn1 575580428 410113688 /nfs/dbraw/zinc/11/36/88/410113688.db2.gz SXPFFFKMLQWUKW-RXMQYKEDSA-N 0 0 189.621 1.900 10 0 ADAERN c1nnc(N[C@H]2CCCC23CC3)s1 575580959 410113769 /nfs/dbraw/zinc/11/37/69/410113769.db2.gz IJVYPQLPYRQVNN-ZETCQYMHSA-N 0 0 195.291 2.283 10 0 ADAERN Cc1nnc(N[C@H](C)CF)s1 575580604 410113801 /nfs/dbraw/zinc/11/38/01/410113801.db2.gz VIMYCWOLJDYHOF-SCSAIBSYSA-N 0 0 175.232 1.616 10 0 ADAERN C[C@H]1C[C@@]1(C)c1nc(N)nc(Cl)n1 575582059 410113829 /nfs/dbraw/zinc/11/38/29/410113829.db2.gz BXXDATJGJAEFTP-RNHFCUEFSA-N 0 0 198.657 1.405 10 0 ADAERN C[C@@H]1C[C@H]1c1[nH]nc(N)c1F 575586214 410114794 /nfs/dbraw/zinc/11/47/94/410114794.db2.gz AAYBTXXJLFITDL-QWWZWVQMSA-N 0 0 155.176 1.254 10 0 ADAERN C[C@@H]1C[C@@H]1c1[nH]nc(N)c1F 575586206 410114807 /nfs/dbraw/zinc/11/48/07/410114807.db2.gz AAYBTXXJLFITDL-DMTCNVIQSA-N 0 0 155.176 1.254 10 0 ADAERN Nc1cccc(S[C@H]2CCOC2)n1 575585650 410114832 /nfs/dbraw/zinc/11/48/32/410114832.db2.gz JIISJKXRZWJQRJ-ZETCQYMHSA-N 0 0 196.275 1.545 10 0 ADAERN C[C@H]1C[C@@]1(C)CN1C(=S)N=NC1N 575585486 410115250 /nfs/dbraw/zinc/11/52/50/410115250.db2.gz FSBLXBTZGWFWSB-XNCJUZBTSA-N 0 0 198.295 1.195 10 0 ADAERN Nc1nsc([C@@H]2CCCC23CC3)n1 575585985 410114863 /nfs/dbraw/zinc/11/48/63/410114863.db2.gz YJALNIHHRWEXBK-LURJTMIESA-N 0 0 195.291 2.168 10 0 ADAERN Cc1ccc(-c2csc(N)n2)[nH]1 575587111 410114922 /nfs/dbraw/zinc/11/49/22/410114922.db2.gz BCZLWRBRGWUHNM-UHFFFAOYSA-N 0 0 179.248 2.029 10 0 ADAERN C[C@@H]1C[C@@]1(C)c1nc(N)ns1 575584950 410114937 /nfs/dbraw/zinc/11/49/37/410114937.db2.gz ZYFAJKVKPPCYCW-CLZZGJSISA-N 0 0 169.253 1.418 10 0 ADAERN C[C@H]1C[C@@]1(C)c1nc(N)ns1 575584953 410114975 /nfs/dbraw/zinc/11/49/75/410114975.db2.gz ZYFAJKVKPPCYCW-MHTLYPKNSA-N 0 0 169.253 1.418 10 0 ADAERN CC1(c2[nH]nc(N)c2F)CC1 575586892 410115002 /nfs/dbraw/zinc/11/50/02/410115002.db2.gz IUYHDZPJTQRRJB-UHFFFAOYSA-N 0 0 155.176 1.183 10 0 ADAERN Nc1n[nH]c(CC2CCC2)c1F 575586684 410115085 /nfs/dbraw/zinc/11/50/85/410115085.db2.gz FPDSUWNANNAHOJ-UHFFFAOYSA-N 0 0 169.203 1.474 10 0 ADAERN CC1(C)C[C@@H]1c1[nH]nc(N)c1F 575586715 410115111 /nfs/dbraw/zinc/11/51/11/410115111.db2.gz GLWJIBCWHXTSHN-SCSAIBSYSA-N 0 0 169.203 1.645 10 0 ADAERN CC(C)Cc1[nH]nc(N)c1F 575586516 410115209 /nfs/dbraw/zinc/11/52/09/410115209.db2.gz DEAPCHDAPHFGLF-UHFFFAOYSA-N 0 0 157.192 1.330 10 0 ADAERN CCC(C)(C)c1[nH]nc(N)c1F 575586806 410115214 /nfs/dbraw/zinc/11/52/14/410115214.db2.gz IBCXXMLDDUQOLW-UHFFFAOYSA-N 0 0 171.219 1.819 10 0 ADAERN Nc1cc(S[C@@H]2CCOC2)ccn1 575586388 410115224 /nfs/dbraw/zinc/11/52/24/410115224.db2.gz ZJLMJLFVBCZFPU-MRVPVSSYSA-N 0 0 196.275 1.545 10 0 ADAERN C[C@H]1C[C@H]1c1[nH]nc(N)c1F 575586212 410115272 /nfs/dbraw/zinc/11/52/72/410115272.db2.gz AAYBTXXJLFITDL-IUYQGCFVSA-N 0 0 155.176 1.254 10 0 ADAERN Nc1cc(S[C@H]2CCOC2)ccn1 575586390 410115305 /nfs/dbraw/zinc/11/53/05/410115305.db2.gz ZJLMJLFVBCZFPU-QMMMGPOBSA-N 0 0 196.275 1.545 10 0 ADAERN C[C@@H]1CCN1c1nc(N)ncc1Cl 575586567 410115362 /nfs/dbraw/zinc/11/53/62/410115362.db2.gz AJUFXXXJQKYQIJ-RXMQYKEDSA-N 0 0 198.657 1.311 10 0 ADAERN CC1(C)C[C@H]1c1[nH]nc(N)c1F 575586714 410115484 /nfs/dbraw/zinc/11/54/84/410115484.db2.gz GLWJIBCWHXTSHN-BYPYZUCNSA-N 0 0 169.203 1.645 10 0 ADAERN CC1(Nc2cccnn2)CC=CC1 575585511 410115548 /nfs/dbraw/zinc/11/55/48/410115548.db2.gz GELYHCMBHHOMDZ-UHFFFAOYSA-N 0 0 175.235 1.997 10 0 ADAERN C[C@H]1C[C@]1(C)c1nc(N)ns1 575584952 410115557 /nfs/dbraw/zinc/11/55/57/410115557.db2.gz ZYFAJKVKPPCYCW-FFWSUHOLSA-N 0 0 169.253 1.418 10 0 ADAERN C[C@@H]1C[C@@]1(C)CN1C(=S)N=NC1N 575585487 410115604 /nfs/dbraw/zinc/11/56/04/410115604.db2.gz FSBLXBTZGWFWSB-XRGYYRRGSA-N 0 0 198.295 1.195 10 0 ADAERN C[C@H]1C[C@]1(C)CN1C(=S)N=NC1N 575585488 410115636 /nfs/dbraw/zinc/11/56/36/410115636.db2.gz FSBLXBTZGWFWSB-YLWLKBPMSA-N 0 0 198.295 1.195 10 0 ADAERN Nc1cccc(S[C@@H]2CCOC2)n1 575585649 410115658 /nfs/dbraw/zinc/11/56/58/410115658.db2.gz JIISJKXRZWJQRJ-SSDOTTSWSA-N 0 0 196.275 1.545 10 0 ADAERN Nc1nsc([C@H]2CCCC23CC3)n1 575585986 410115689 /nfs/dbraw/zinc/11/56/89/410115689.db2.gz YJALNIHHRWEXBK-ZCFIWIBFSA-N 0 0 195.291 2.168 10 0 ADAERN C[C@@H]1C[C@]1(C)CN1C(=S)N=NC1N 575585485 410115754 /nfs/dbraw/zinc/11/57/54/410115754.db2.gz FSBLXBTZGWFWSB-SVGQVSJJSA-N 0 0 198.295 1.195 10 0 ADAERN C[C@H]1CCN1c1nc(N)ncc1Cl 575586568 410115766 /nfs/dbraw/zinc/11/57/66/410115766.db2.gz AJUFXXXJQKYQIJ-YFKPBYRVSA-N 0 0 198.657 1.311 10 0 ADAERN C[C@H]1C[C@@H]1c1[nH]nc(N)c1F 575586208 410115783 /nfs/dbraw/zinc/11/57/83/410115783.db2.gz AAYBTXXJLFITDL-IMJSIDKUSA-N 0 0 155.176 1.254 10 0 ADAERN C[C@@H]1C[C@]1(C)c1nc(N)ns1 575584951 410115915 /nfs/dbraw/zinc/11/59/15/410115915.db2.gz ZYFAJKVKPPCYCW-FBCQKBJTSA-N 0 0 169.253 1.418 10 0 ADAERN CCCCc1[nH]nc(N)c1F 575588778 410117222 /nfs/dbraw/zinc/11/72/22/410117222.db2.gz TVFXYUILHWVFQH-UHFFFAOYSA-N 0 0 157.192 1.474 10 0 ADAERN Nc1n[nH]c(C2CCC2)c1F 575590157 410116600 /nfs/dbraw/zinc/11/66/00/410116600.db2.gz ZYHGZHPQFNHGIY-UHFFFAOYSA-N 0 0 155.176 1.399 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1nccc(N)n1 575590684 410116618 /nfs/dbraw/zinc/11/66/18/410116618.db2.gz KXTLHMSSTLPWJO-RCOVLWMOSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1CCN1Cc1csc(N)n1 575588113 410116731 /nfs/dbraw/zinc/11/67/31/410116731.db2.gz CQJXIWFTTRMVEF-LURJTMIESA-N 0 0 183.280 1.320 10 0 ADAERN CC1(C)C[C@@H]1[C@@H](O)c1cnc(N)s1 575587918 410116822 /nfs/dbraw/zinc/11/68/22/410116822.db2.gz OLLINRASLFTBMA-IYSWYEEDSA-N 0 0 198.291 1.805 10 0 ADAERN Nc1nnc([C@@H]2CCCC23CC3)s1 575588284 410116843 /nfs/dbraw/zinc/11/68/43/410116843.db2.gz AHCXZKHWKNJFIY-LURJTMIESA-N 0 0 195.291 2.168 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1nccc(N)n1 575590683 410116883 /nfs/dbraw/zinc/11/68/83/410116883.db2.gz KXTLHMSSTLPWJO-MUWHJKNJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1ccnc(N)n1 575588832 410116929 /nfs/dbraw/zinc/11/69/29/410116929.db2.gz FFAOERIZPJNJFM-HZGVNTEJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1nccc(N)n1 575590682 410116952 /nfs/dbraw/zinc/11/69/52/410116952.db2.gz KXTLHMSSTLPWJO-IMTBSYHQSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H](c1[nH]nc(N)c1F)C1CC1 575589564 410116976 /nfs/dbraw/zinc/11/69/76/410116976.db2.gz WIZDDFWEUPXSEL-SCSAIBSYSA-N 0 0 169.203 1.645 10 0 ADAERN Cn1ccc(NC[C@@H]2CC2(C)C)n1 575588931 410116987 /nfs/dbraw/zinc/11/69/87/410116987.db2.gz KQMLQENILJAOKA-QMMMGPOBSA-N 0 0 179.267 1.878 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1ccnc(N)n1 575588838 410117039 /nfs/dbraw/zinc/11/70/39/410117039.db2.gz FFAOERIZPJNJFM-IMTBSYHQSA-N 0 0 178.239 1.269 10 0 ADAERN Nc1n[nH]c([C@@H]2CCCC23CC3)n1 575590971 410117054 /nfs/dbraw/zinc/11/70/54/410117054.db2.gz INIATYQLYFSJAH-LURJTMIESA-N 0 0 178.239 1.435 10 0 ADAERN Nc1n[nH]c([C@H]2CCCC23CC3)n1 575590973 410117077 /nfs/dbraw/zinc/11/70/77/410117077.db2.gz INIATYQLYFSJAH-ZCFIWIBFSA-N 0 0 178.239 1.435 10 0 ADAERN CCC1(c2[nH]nc(N)c2F)CC1 575589171 410117134 /nfs/dbraw/zinc/11/71/34/410117134.db2.gz UGPZJIXZPIQUSE-UHFFFAOYSA-N 0 0 169.203 1.573 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1ccnc(N)n1 575588843 410117200 /nfs/dbraw/zinc/11/72/00/410117200.db2.gz FFAOERIZPJNJFM-MUWHJKNJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@@H]1C[C@]1(C)Nc1cncc(Cl)n1 575588146 410117215 /nfs/dbraw/zinc/11/72/15/410117215.db2.gz DGNAUMMVHXOZJQ-MUWHJKNJSA-N 0 0 197.669 2.340 10 0 ADAERN C[C@H](c1[nH]nc(N)c1F)C1CC1 575589562 410117232 /nfs/dbraw/zinc/11/72/32/410117232.db2.gz WIZDDFWEUPXSEL-BYPYZUCNSA-N 0 0 169.203 1.645 10 0 ADAERN Nc1nnc([C@H]2CCCC23CC3)s1 575588286 410117241 /nfs/dbraw/zinc/11/72/41/410117241.db2.gz AHCXZKHWKNJFIY-ZCFIWIBFSA-N 0 0 195.291 2.168 10 0 ADAERN CC1(C)C[C@H]1[C@H](O)c1cnc(N)s1 575587915 410117255 /nfs/dbraw/zinc/11/72/55/410117255.db2.gz OLLINRASLFTBMA-FSPLSTOPSA-N 0 0 198.291 1.805 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1cncc(Cl)n1 575588144 410117279 /nfs/dbraw/zinc/11/72/79/410117279.db2.gz DGNAUMMVHXOZJQ-HZGVNTEJSA-N 0 0 197.669 2.340 10 0 ADAERN C[C@@H]1C[C@@]1(C)Nc1nccc(N)n1 575590681 410117340 /nfs/dbraw/zinc/11/73/40/410117340.db2.gz KXTLHMSSTLPWJO-HZGVNTEJSA-N 0 0 178.239 1.269 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1cncc(Cl)n1 575588147 410117352 /nfs/dbraw/zinc/11/73/52/410117352.db2.gz DGNAUMMVHXOZJQ-RCOVLWMOSA-N 0 0 197.669 2.340 10 0 ADAERN Cn1ccc(NC[C@H]2CC2(C)C)n1 575588930 410117370 /nfs/dbraw/zinc/11/73/70/410117370.db2.gz KQMLQENILJAOKA-MRVPVSSYSA-N 0 0 179.267 1.878 10 0 ADAERN Cc1cc(-c2[nH]nc(N)c2F)cs1 575589358 410117397 /nfs/dbraw/zinc/11/73/97/410117397.db2.gz VPVHOKRGYGFEKQ-UHFFFAOYSA-N 0 0 197.238 2.168 10 0 ADAERN CC[C@H](C)c1[nH]nc(N)c1F 575589664 410117419 /nfs/dbraw/zinc/11/74/19/410117419.db2.gz XCBWWEQHUXEITG-BYPYZUCNSA-N 0 0 157.192 1.645 10 0 ADAERN CC1(C)C[C@H]1[C@@H](O)c1cnc(N)s1 575587913 410117431 /nfs/dbraw/zinc/11/74/31/410117431.db2.gz OLLINRASLFTBMA-CAHLUQPWSA-N 0 0 198.291 1.805 10 0 ADAERN Nc1cc([C@H]2CCCC23CC3)[nH]n1 575589243 410117464 /nfs/dbraw/zinc/11/74/64/410117464.db2.gz CSGCMRPRNBIXBG-SSDOTTSWSA-N 0 0 177.251 2.040 10 0 ADAERN CNc1nc(CN2CC[C@H]2C)cs1 575589849 410117535 /nfs/dbraw/zinc/11/75/35/410117535.db2.gz HLSPQLCBHVAYHY-SSDOTTSWSA-N 0 0 197.307 1.779 10 0 ADAERN CC[C@@H](C)c1[nH]nc(N)c1F 575589671 410117557 /nfs/dbraw/zinc/11/75/57/410117557.db2.gz XCBWWEQHUXEITG-SCSAIBSYSA-N 0 0 157.192 1.645 10 0 ADAERN C[C@H]1C[C@@]1(C)Nc1cncc(Cl)n1 575588145 410117574 /nfs/dbraw/zinc/11/75/74/410117574.db2.gz DGNAUMMVHXOZJQ-IMTBSYHQSA-N 0 0 197.669 2.340 10 0 ADAERN CNc1nc(CN2CC[C@@H]2C)cs1 575589851 410117600 /nfs/dbraw/zinc/11/76/00/410117600.db2.gz HLSPQLCBHVAYHY-ZETCQYMHSA-N 0 0 197.307 1.779 10 0 ADAERN CC1(C)C[C@@H]1[C@H](O)c1cnc(N)s1 575587921 410117637 /nfs/dbraw/zinc/11/76/37/410117637.db2.gz OLLINRASLFTBMA-VDTYLAMSSA-N 0 0 198.291 1.805 10 0 ADAERN Nc1cc([C@@H]2CCCC23CC3)[nH]n1 575589251 410117654 /nfs/dbraw/zinc/11/76/54/410117654.db2.gz CSGCMRPRNBIXBG-ZETCQYMHSA-N 0 0 177.251 2.040 10 0 ADAERN CC(F)(F)c1[nH]nc(N)c1F 575588608 410117673 /nfs/dbraw/zinc/11/76/73/410117673.db2.gz QOUXBLOWGSUGMC-UHFFFAOYSA-N 0 0 165.118 1.243 10 0 ADAERN C[C@@H]1CCN1Cc1csc(N)n1 575588115 410117681 /nfs/dbraw/zinc/11/76/81/410117681.db2.gz CQJXIWFTTRMVEF-ZCFIWIBFSA-N 0 0 183.280 1.320 10 0 ADAERN C[C@H]1C[C@]1(C)Nc1ccnc(N)n1 575588847 410117720 /nfs/dbraw/zinc/11/77/20/410117720.db2.gz FFAOERIZPJNJFM-RCOVLWMOSA-N 0 0 178.239 1.269 10 0 ADAERN CCc1nccnc1N[C@H]1C[C@@H]1C 575594287 410119331 /nfs/dbraw/zinc/11/93/31/410119331.db2.gz XWVVSJMJOOERDO-CBAPKCEASA-N 0 0 177.251 1.859 10 0 ADAERN C[C@@H]1CC[C@@H](C)N1c1nc(N)ns1 575594399 410119364 /nfs/dbraw/zinc/11/93/64/410119364.db2.gz HJIIAYJURGBWND-PHDIDXHHSA-N 0 0 198.295 1.498 10 0 ADAERN CCc1nccnc1N[C@H]1C[C@H]1C 575594286 410119378 /nfs/dbraw/zinc/11/93/78/410119378.db2.gz XWVVSJMJOOERDO-APPZFPTMSA-N 0 0 177.251 1.859 10 0 ADAERN C[C@H]1CC[C@H](C)N1c1nc(N)ns1 575594400 410119392 /nfs/dbraw/zinc/11/93/92/410119392.db2.gz HJIIAYJURGBWND-WDSKDSINSA-N 0 0 198.295 1.498 10 0 ADAERN CCc1nccnc1N[C@@H]1C[C@@H]1C 575594288 410119399 /nfs/dbraw/zinc/11/93/99/410119399.db2.gz XWVVSJMJOOERDO-IONNQARKSA-N 0 0 177.251 1.859 10 0 ADAERN CC(F)(F)Cn1cc(Cl)c(N)n1 575594075 410119425 /nfs/dbraw/zinc/11/94/25/410119425.db2.gz CYQUZDQJPHBBDB-UHFFFAOYSA-N 0 0 195.600 1.774 10 0 ADAERN CCc1nccnc1NC1CC1 575594330 410119450 /nfs/dbraw/zinc/11/94/50/410119450.db2.gz YYUMLRANGNOEFW-UHFFFAOYSA-N 0 0 163.224 1.613 10 0 ADAERN CCc1nccnc1N[C@@H]1C[C@H]1C 575594289 410119459 /nfs/dbraw/zinc/11/94/59/410119459.db2.gz XWVVSJMJOOERDO-VXNVDRBHSA-N 0 0 177.251 1.859 10 0 ADAERN C[C@H]1CC[C@@H](C)N1c1nc(N)ns1 575594398 410119467 /nfs/dbraw/zinc/11/94/67/410119467.db2.gz HJIIAYJURGBWND-OLQVQODUSA-N 0 0 198.295 1.498 10 0 ADAERN Nc1nnc([C@@H]2CC23CC3)s1 575594043 410119495 /nfs/dbraw/zinc/11/94/95/410119495.db2.gz BSXOOOBEFBNHNJ-BYPYZUCNSA-N 0 0 167.237 1.388 10 0 ADAERN Nc1nnc([C@H]2CC23CC3)s1 575594044 410119501 /nfs/dbraw/zinc/11/95/01/410119501.db2.gz BSXOOOBEFBNHNJ-SCSAIBSYSA-N 0 0 167.237 1.388 10 0 ADAERN CCc1nccnc1NC(C)C 575593803 410119508 /nfs/dbraw/zinc/11/95/08/410119508.db2.gz QVRJGDBSNIARME-UHFFFAOYSA-N 0 0 165.240 1.859 10 0 ADAERN Nc1nsc(N2CCC23CCC3)n1 575595824 410120302 /nfs/dbraw/zinc/12/03/02/410120302.db2.gz VUZKXXVHACYVGQ-UHFFFAOYSA-N 0 0 196.279 1.253 10 0 ADAERN CCC(CC)c1cc(N)ncn1 575622305 410120956 /nfs/dbraw/zinc/12/09/56/410120956.db2.gz QGLVJOIIBQFLDF-UHFFFAOYSA-N 0 0 165.240 1.962 10 0 ADAERN Cc1nc(N)cc([C@H]2CCCO2)n1 575622504 410120992 /nfs/dbraw/zinc/12/09/92/410120992.db2.gz VHKOVWDWFPPRFU-MRVPVSSYSA-N 0 0 179.223 1.219 10 0 ADAERN Nc1cc(Cc2cccs2)ncn1 575622358 410120999 /nfs/dbraw/zinc/12/09/99/410120999.db2.gz SHZUTZIRWRRXDS-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN Cc1nc(N)cc(CC2CC2)n1 575622509 410121030 /nfs/dbraw/zinc/12/10/30/410121030.db2.gz VHRKVXQELGATDM-UHFFFAOYSA-N 0 0 163.224 1.320 10 0 ADAERN Cc1nc(N)cc([C@@H]2CCCO2)n1 575622507 410121057 /nfs/dbraw/zinc/12/10/57/410121057.db2.gz VHKOVWDWFPPRFU-QMMMGPOBSA-N 0 0 179.223 1.219 10 0 ADAERN Nc1cc(Cc2ccsc2)ncn1 575622502 410121078 /nfs/dbraw/zinc/12/10/78/410121078.db2.gz VCUZPOFXBFLPKZ-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CC[C@H](C)c1cc(N)ncn1 575622630 410121091 /nfs/dbraw/zinc/12/10/91/410121091.db2.gz YXXJQDAMSVBCEF-LURJTMIESA-N 0 0 151.213 1.572 10 0 ADAERN Nc1cc(CCC(F)(F)F)ncn1 575622716 410121141 /nfs/dbraw/zinc/12/11/41/410121141.db2.gz REBBUZZUFMOIKG-UHFFFAOYSA-N 0 0 191.156 1.554 10 0 ADAERN Nc1cc(CC2CC2)nc(C2CC2)n1 575622366 410121189 /nfs/dbraw/zinc/12/11/89/410121189.db2.gz SWIPYQKENPFPPA-UHFFFAOYSA-N 0 0 189.262 1.889 10 0 ADAERN Nc1cc(C(F)F)nc(C2CC2)n1 575621989 410121234 /nfs/dbraw/zinc/12/12/34/410121234.db2.gz HUQFMYCLJKPFKA-UHFFFAOYSA-N 0 0 185.177 1.874 10 0 ADAERN Cc1nc(N)cc(-c2cnoc2C)n1 575622276 410121260 /nfs/dbraw/zinc/12/12/60/410121260.db2.gz OJMOMDHFHLGMAQ-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN CCOCc1cc(N)nc(C2CC2)n1 575622635 410121267 /nfs/dbraw/zinc/12/12/67/410121267.db2.gz ZBXVZHRXZSZJEK-UHFFFAOYSA-N 0 0 193.250 1.473 10 0 ADAERN CC[C@@H](C)c1cc(N)ncn1 575622631 410121285 /nfs/dbraw/zinc/12/12/85/410121285.db2.gz YXXJQDAMSVBCEF-ZCFIWIBFSA-N 0 0 151.213 1.572 10 0 ADAERN C[C@H]1C=C[C@]2(CCCO2)OC1 584609451 410122229 /nfs/dbraw/zinc/12/22/29/410122229.db2.gz NVKHVSPFDKJRKF-IUCAKERBSA-N 0 0 154.209 1.716 10 0 ADAERN C[C@H]1C=C[C@@]2(CCCO2)OC1 584609450 410122314 /nfs/dbraw/zinc/12/23/14/410122314.db2.gz NVKHVSPFDKJRKF-DTWKUNHWSA-N 0 0 154.209 1.716 10 0 ADAERN O=C1N[C@]2(CCCCC[C@@H]2F)CO1 584609409 410122402 /nfs/dbraw/zinc/12/24/02/410122402.db2.gz KKCZIWLEUNNOME-IONNQARKSA-N 0 0 187.214 1.767 10 0 ADAERN CCOC1(OCC)N=NC(C)(C)O1 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Cc1cc(-c2nnnn2C)cs1 649431647 410200280 /nfs/dbraw/zinc/20/02/80/410200280.db2.gz DIBWULGAKGXLBD-UHFFFAOYSA-N 0 0 180.236 1.247 10 0 ADAERN Cc1n[nH]cc1-c1c(C)noc1C 649440571 410201467 /nfs/dbraw/zinc/20/14/67/410201467.db2.gz SJCYXFYFFNBOEN-UHFFFAOYSA-N 0 0 177.207 1.990 10 0 ADAERN Cc1coc(-c2cn(C)nc2C)n1 649442231 410201475 /nfs/dbraw/zinc/20/14/75/410201475.db2.gz DUSDOXRXLXOXPZ-UHFFFAOYSA-N 0 0 177.207 1.692 10 0 ADAERN Cc1nn(C)cc1-c1ccsn1 649442538 410201460 /nfs/dbraw/zinc/20/14/60/410201460.db2.gz UIPXWQRNOJMDAM-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN Cc1nn(C)cc1-c1ncc[nH]1 649442374 410201524 /nfs/dbraw/zinc/20/15/24/410201524.db2.gz LUMYIMXONXEFIR-UHFFFAOYSA-N 0 0 162.196 1.119 10 0 ADAERN Cc1c(-c2ncns2)cnn1C 649444279 410201539 /nfs/dbraw/zinc/20/15/39/410201539.db2.gz LEIWSVTXMSTUPD-UHFFFAOYSA-N 0 0 180.236 1.247 10 0 ADAERN Cc1nsc(-c2cn(C)nc2C)n1 649442345 410201621 /nfs/dbraw/zinc/20/16/21/410201621.db2.gz KNOHAGQJKLMTQK-UHFFFAOYSA-N 0 0 194.263 1.555 10 0 ADAERN Cc1nn(C)cc1-c1c[nH]cn1 649442316 410201644 /nfs/dbraw/zinc/20/16/44/410201644.db2.gz IUEYOKUHJJGOKV-UHFFFAOYSA-N 0 0 162.196 1.119 10 0 ADAERN Cc1nsc(-c2cnn(C)c2C)n1 649444180 410201783 /nfs/dbraw/zinc/20/17/83/410201783.db2.gz HBWJOSJKARQNJS-UHFFFAOYSA-N 0 0 194.263 1.555 10 0 ADAERN Cc1nn(C)cc1-c1cnoc1C 649442410 410201806 /nfs/dbraw/zinc/20/18/06/410201806.db2.gz NFZSSDPMJOCTOM-UHFFFAOYSA-N 0 0 177.207 1.692 10 0 ADAERN Cc1n[nH]cc1-c1cnn(C)c1C 649441360 410201827 /nfs/dbraw/zinc/20/18/27/410201827.db2.gz BNUKPCCQGSNYRR-UHFFFAOYSA-N 0 0 176.223 1.427 10 0 ADAERN Cc1nn(C)cc1-c1c(C)n[nH]c1C 649442653 410201888 /nfs/dbraw/zinc/20/18/88/410201888.db2.gz ZTCGFJHPJFZALM-UHFFFAOYSA-N 0 0 190.250 1.735 10 0 ADAERN Cc1nn(C)cc1-c1cncn1C 649442199 410201893 /nfs/dbraw/zinc/20/18/93/410201893.db2.gz CEOHUYFLYUTKEP-UHFFFAOYSA-N 0 0 176.223 1.129 10 0 ADAERN Cc1noc(C)c1-c1nncn1C 649440644 410201901 /nfs/dbraw/zinc/20/19/01/410201901.db2.gz VFXZMJAYTOXBPF-UHFFFAOYSA-N 0 0 178.195 1.087 10 0 ADAERN Cc1coc(-c2cnn(C)c2C)n1 649444432 410201908 /nfs/dbraw/zinc/20/19/08/410201908.db2.gz ULLYGFLYRJCXRN-UHFFFAOYSA-N 0 0 177.207 1.692 10 0 ADAERN Cc1nn(C)cc1-c1ccn(C)n1 649442330 410201915 /nfs/dbraw/zinc/20/19/15/410201915.db2.gz JHDJGUQEBXCBSR-UHFFFAOYSA-N 0 0 176.223 1.129 10 0 ADAERN Cc1n[nH]cc1-c1cn(C)nc1C 649442585 410201921 /nfs/dbraw/zinc/20/19/21/410201921.db2.gz WIGFFGICBYKHJL-UHFFFAOYSA-N 0 0 176.223 1.427 10 0 ADAERN Cc1nn(C)cc1-c1ncco1 649442571 410201955 /nfs/dbraw/zinc/20/19/55/410201955.db2.gz VKKAUEYDFQFKGQ-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN Cc1nnc(-c2cn(C)nc2C)s1 649442521 410201967 /nfs/dbraw/zinc/20/19/67/410201967.db2.gz SKENJYQIAIYKKK-UHFFFAOYSA-N 0 0 194.263 1.555 10 0 ADAERN Cc1ccc(-c2nncn2C)o1 649440985 410201997 /nfs/dbraw/zinc/20/19/97/410201997.db2.gz MGHFIJCGLXPFFM-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN CCn1nccc1-c1cn(C)nc1C 649442608 410202023 /nfs/dbraw/zinc/20/20/23/410202023.db2.gz XDNNSVLRVARDJF-UHFFFAOYSA-N 0 0 190.250 1.612 10 0 ADAERN Cc1nn(C)cc1-c1nccs1 649442643 410202026 /nfs/dbraw/zinc/20/20/26/410202026.db2.gz YUSKRUGRRDXEMU-UHFFFAOYSA-N 0 0 179.248 1.852 10 0 ADAERN Cc1nn(C)cc1-c1nncs1 649442208 410202068 /nfs/dbraw/zinc/20/20/68/410202068.db2.gz CLVFHKYTYQVNNI-UHFFFAOYSA-N 0 0 180.236 1.247 10 0 ADAERN Cc1nn(C)cc1-c1cc(C)n(C)n1 649442519 410202121 /nfs/dbraw/zinc/20/21/21/410202121.db2.gz SIFIRDKJEUCPMF-UHFFFAOYSA-N 0 0 190.250 1.437 10 0 ADAERN CCC[C@H](O)CN1CCC(=O)[C@@H](C)C1 649454627 410203431 /nfs/dbraw/zinc/20/34/31/410203431.db2.gz CXPWEDOXOHJGOR-UWVGGRQHSA-N 0 0 199.294 1.058 10 0 ADAERN CC(C)[C@@H]1C[C@H]1CNc1cccnn1 649468000 410203723 /nfs/dbraw/zinc/20/37/23/410203723.db2.gz SJGVNBDHSSUSHX-UWVGGRQHSA-N 0 0 191.278 1.603 10 0 ADAERN CCC[C@@H](O)CN1CCC(=O)[C@@H](C)C1 649454628 410203757 /nfs/dbraw/zinc/20/37/57/410203757.db2.gz CXPWEDOXOHJGOR-VHSXEESVSA-N 0 0 199.294 1.058 10 0 ADAERN CCOC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC 649463141 410204561 /nfs/dbraw/zinc/20/45/61/410204561.db2.gz BNAFTFXZOMTXAR-IVZWLZJFSA-N 0 0 199.294 1.574 10 0 ADAERN Cc1nn(CCO)cc1C(F)(F)F 649446909 410204670 /nfs/dbraw/zinc/20/46/70/410204670.db2.gz JAGYXAMUWJKPMQ-UHFFFAOYSA-N 0 0 194.156 1.203 10 0 ADAERN CCC[C@@H](O)CN1CCC(=O)[C@H](C)C1 649454625 410205172 /nfs/dbraw/zinc/20/51/72/410205172.db2.gz CXPWEDOXOHJGOR-NXEZZACHSA-N 0 0 199.294 1.058 10 0 ADAERN CCC[C@H](O)CN1CCC(=O)[C@H](C)C1 649454629 410205404 /nfs/dbraw/zinc/20/54/04/410205404.db2.gz CXPWEDOXOHJGOR-ZJUUUORDSA-N 0 0 199.294 1.058 10 0 ADAERN CCN1CN([C@@H](C)CC(C)C)CC1=O 649483867 410206685 /nfs/dbraw/zinc/20/66/85/410206685.db2.gz HTCFENAZHFBWCK-JTQLQIEISA-N 0 0 198.310 1.543 10 0 ADAERN CCN1CN([C@H](C)CC(C)C)CC1=O 649483868 410207013 /nfs/dbraw/zinc/20/70/13/410207013.db2.gz HTCFENAZHFBWCK-SNVBAGLBSA-N 0 0 198.310 1.543 10 0 ADAERN CN(Cc1cc2n(n1)CCC2)C1CC1 649488027 410207053 /nfs/dbraw/zinc/20/70/53/410207053.db2.gz YWKVGOVIZQJFLJ-UHFFFAOYSA-N 0 0 191.278 1.424 10 0 ADAERN CCc1nc(-c2cn(C)nn2)cs1 649479675 410207354 /nfs/dbraw/zinc/20/73/54/410207354.db2.gz FRGGDGOVKCITKV-UHFFFAOYSA-N 0 0 194.263 1.501 10 0 ADAERN CNC(=O)N1CC[C@@]2(C1)CC2(F)F 649499665 410209953 /nfs/dbraw/zinc/20/99/53/410209953.db2.gz FHDUZVCFWMJFFK-ZETCQYMHSA-N 0 0 190.193 1.057 10 0 ADAERN CCC[N@H+](C)Cc1cc2n(n1)CCC2 649501917 410210542 /nfs/dbraw/zinc/21/05/42/410210542.db2.gz VAYXRTCHOHVKQS-UHFFFAOYSA-N 0 0 193.294 1.671 10 0 ADAERN CC[C@H](NC(N)=O)c1ccccc1F 649495635 410210980 /nfs/dbraw/zinc/21/09/80/410210980.db2.gz YXIPUXSDNHUUNO-VIFPVBQESA-N 0 0 196.225 1.945 10 0 ADAERN CNC(=O)N1CC[C@]2(C1)CC2(F)F 649499664 410212123 /nfs/dbraw/zinc/21/21/23/410212123.db2.gz FHDUZVCFWMJFFK-SSDOTTSWSA-N 0 0 190.193 1.057 10 0 ADAERN CCNC(=O)C[C@H](OC)C(F)(F)F 649571938 410213123 /nfs/dbraw/zinc/21/31/23/410213123.db2.gz DCWLPUUPZLDHOQ-YFKPBYRVSA-N 0 0 199.172 1.090 10 0 ADAERN O=c1scnn1CC1=CCCCC1 649542596 410213652 /nfs/dbraw/zinc/21/36/52/410213652.db2.gz DKSBVMAETCBWCH-UHFFFAOYSA-N 0 0 196.275 1.805 10 0 ADAERN CCNC(=O)C[C@@H](OC)C(F)(F)F 649571937 410213807 /nfs/dbraw/zinc/21/38/07/410213807.db2.gz DCWLPUUPZLDHOQ-RXMQYKEDSA-N 0 0 199.172 1.090 10 0 ADAERN CCNC(=O)[C@H]1C[C@@H]1C1CCCC1 649572407 410214110 /nfs/dbraw/zinc/21/41/10/410214110.db2.gz VBHHXVFJGYZMCP-ZJUUUORDSA-N 0 0 181.279 1.949 10 0 ADAERN CCNC(=O)[C@@H]1C[C@H]1C1CCCC1 649572406 410214755 /nfs/dbraw/zinc/21/47/55/410214755.db2.gz VBHHXVFJGYZMCP-VHSXEESVSA-N 0 0 181.279 1.949 10 0 ADAERN CCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 649572404 410215903 /nfs/dbraw/zinc/21/59/03/410215903.db2.gz VBHHXVFJGYZMCP-NXEZZACHSA-N 0 0 181.279 1.949 10 0 ADAERN CCNC(=O)c1ncccc1SC 649571931 410215919 /nfs/dbraw/zinc/21/59/19/410215919.db2.gz CVDROAXBARDQGW-UHFFFAOYSA-N 0 0 196.275 1.553 10 0 ADAERN CCNC(=O)[C@H]1C[C@H]1C1CCCC1 649572405 410216038 /nfs/dbraw/zinc/21/60/38/410216038.db2.gz VBHHXVFJGYZMCP-UWVGGRQHSA-N 0 0 181.279 1.949 10 0 ADAERN Cc1nnsc1CN1[C@H](C)C[C@H]1C 649595432 410217368 /nfs/dbraw/zinc/21/73/68/410217368.db2.gz KTELYNKZMPFEAN-RNFRBKRXSA-N 0 0 197.307 1.829 10 0 ADAERN CC[C@H]1CCN1Cc1snnc1C 649617529 410218155 /nfs/dbraw/zinc/21/81/55/410218155.db2.gz MONADPDUNYSENT-QMMMGPOBSA-N 0 0 197.307 1.831 10 0 ADAERN Cc1nnsc1CN1C[C@H](C)[C@H]1C 649618094 410218332 /nfs/dbraw/zinc/21/83/32/410218332.db2.gz KVRXEFGBRUBDKZ-POYBYMJQSA-N 0 0 197.307 1.687 10 0 ADAERN Cc1nnsc1CN1[C@@H](C)C[C@H]1C 649595431 410218354 /nfs/dbraw/zinc/21/83/54/410218354.db2.gz KTELYNKZMPFEAN-KNVOCYPGSA-N 0 0 197.307 1.829 10 0 ADAERN COCCSc1ncccc1F 649640836 410218410 /nfs/dbraw/zinc/21/84/10/410218410.db2.gz MIAFSAMBJWBNOP-UHFFFAOYSA-N 0 0 187.239 1.959 10 0 ADAERN Cc1nnsc1CN1C[C@@H](C)[C@H]1C 649618093 410218528 /nfs/dbraw/zinc/21/85/28/410218528.db2.gz KVRXEFGBRUBDKZ-HTRCEHHLSA-N 0 0 197.307 1.687 10 0 ADAERN CCCCCn1cncc(F)c1=O 649603814 410218728 /nfs/dbraw/zinc/21/87/28/410218728.db2.gz BOAPVEBGCYWYMJ-UHFFFAOYSA-N 0 0 184.214 1.573 10 0 ADAERN CC[C@@H]1CCN1Cc1snnc1C 649617528 410218801 /nfs/dbraw/zinc/21/88/01/410218801.db2.gz MONADPDUNYSENT-MRVPVSSYSA-N 0 0 197.307 1.831 10 0 ADAERN Cc1nnsc1CN1C[C@@H](C)[C@@H]1C 649618095 410219045 /nfs/dbraw/zinc/21/90/45/410219045.db2.gz KVRXEFGBRUBDKZ-SVRRBLITSA-N 0 0 197.307 1.687 10 0 ADAERN Cc1nnsc1CN1[C@@H](C)C[C@@H]1C 649595430 410219557 /nfs/dbraw/zinc/21/95/57/410219557.db2.gz KTELYNKZMPFEAN-BQBZGAKWSA-N 0 0 197.307 1.829 10 0 ADAERN Cc1nnsc1CN1C[C@H](C)[C@@H]1C 649618096 410219728 /nfs/dbraw/zinc/21/97/28/410219728.db2.gz KVRXEFGBRUBDKZ-XPUUQOCRSA-N 0 0 197.307 1.687 10 0 ADAERN C[C@@H](c1csnn1)N1C[C@@H](C)[C@H]1C 649651821 410220689 /nfs/dbraw/zinc/22/06/89/410220689.db2.gz JMZWHXZNYRBMSV-PRJMDXOYSA-N 0 0 197.307 1.939 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)[C@H](C)OC 649649875 410222010 /nfs/dbraw/zinc/22/20/10/410222010.db2.gz ZGYBFOPJWYFRBU-AXTSPUMRSA-N 0 0 199.294 1.572 10 0 ADAERN C[C@@H]1CN([C@H](C)c2csnn2)[C@@H]1C 649651818 410222132 /nfs/dbraw/zinc/22/21/32/410222132.db2.gz JMZWHXZNYRBMSV-BWZBUEFSSA-N 0 0 197.307 1.939 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N[C@@H](C)[C@@H](C)OC 649649876 410222270 /nfs/dbraw/zinc/22/22/70/410222270.db2.gz ZGYBFOPJWYFRBU-SGIHWFKDSA-N 0 0 199.294 1.572 10 0 ADAERN C[C@H]1[C@H](C)CN1[C@H](C)c1csnn1 649651820 410222907 /nfs/dbraw/zinc/22/29/07/410222907.db2.gz JMZWHXZNYRBMSV-GJMOJQLCSA-N 0 0 197.307 1.939 10 0 ADAERN C[C@@H](c1csnn1)N1C[C@@H](C)[C@@H]1C 649651819 410223403 /nfs/dbraw/zinc/22/34/03/410223403.db2.gz JMZWHXZNYRBMSV-CSMHCCOUSA-N 0 0 197.307 1.939 10 0 ADAERN FC1(F)CCCN([C@@H]2CCOC2)C1 649695406 410225295 /nfs/dbraw/zinc/22/52/95/410225295.db2.gz UHHNQQDAJXTVAR-MRVPVSSYSA-N 0 0 191.221 1.506 10 0 ADAERN FC1(F)CCCN([C@H]2CCOC2)C1 649695407 410226398 /nfs/dbraw/zinc/22/63/98/410226398.db2.gz UHHNQQDAJXTVAR-QMMMGPOBSA-N 0 0 191.221 1.506 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1C 649771101 410233042 /nfs/dbraw/zinc/23/30/42/410233042.db2.gz SWBVJMRPFUDDMH-OPRDCNLKSA-N 0 0 197.278 1.280 10 0 ADAERN CCC[C@H](OC)C(=O)N1CC(C)C1 649767006 410233269 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OCCCCc1ccc2[nH]cnc2c1 77275364 572878990 /nfs/dbraw/zinc/87/89/90/572878990.db2.gz KBNUPKWBLIZPSD-UHFFFAOYSA-N 0 0 190.246 1.878 10 0 ADAERN CC[C@H](C)OC(=O)c1csnn1 307971356 572879005 /nfs/dbraw/zinc/87/90/05/572879005.db2.gz HJXXTMHCINHSQJ-YFKPBYRVSA-N 0 0 186.236 1.493 10 0 ADAERN COC(=O)NC(C)(C)c1ccccn1 82353332 572996347 /nfs/dbraw/zinc/99/63/47/572996347.db2.gz CDRKYKXJFWKUCL-UHFFFAOYSA-N 0 0 194.234 1.673 10 0 ADAERN CC(C)(C)n1ccc([C@H]([NH3+])CO)c1 104525700 572996352 /nfs/dbraw/zinc/99/63/52/572996352.db2.gz FPJQZGQFPSWHOB-SECBINFHSA-N 0 0 182.267 1.235 10 0 ADAERN CSc1cc(N)nc(C(C)C)n1 87909424 572996380 /nfs/dbraw/zinc/99/63/80/572996380.db2.gz VADMUGJWJZAYNV-UHFFFAOYSA-N 0 0 183.280 1.904 10 0 ADAERN [NH3+]COC1C2CC3CC(C2)CC1C3 104528665 572996383 /nfs/dbraw/zinc/99/63/83/572996383.db2.gz AAPSSNWVKOLYSE-UHFFFAOYSA-N 0 0 181.279 1.744 10 0 ADAERN O=C1CNc2cc(Cl)ncc2N1 257922190 572996385 /nfs/dbraw/zinc/99/63/85/572996385.db2.gz ROMCAKVPOLVYRJ-UHFFFAOYSA-N 0 0 183.598 1.099 10 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0 182.271 1.350 10 0 ADAERN CNC(=S)c1ncccc1F 75856605 572910890 /nfs/dbraw/zinc/91/08/90/572910890.db2.gz AOZVHQRZLPKIHZ-UHFFFAOYSA-N 0 0 170.212 1.116 10 0 ADAERN O=c1cc[nH]c2c1CN=N2 72230689 572915980 /nfs/dbraw/zinc/91/59/80/572915980.db2.gz JPZJZNOXGTXNPI-UHFFFAOYSA-N 0 0 135.126 1.385 10 0 ADAERN CC(C)(C)C[C@](C)(CO)OCCO 238084264 572915985 /nfs/dbraw/zinc/91/59/85/572915985.db2.gz MOMFIBJPPKNNNO-SNVBAGLBSA-N 0 0 190.283 1.183 10 0 ADAERN C/C(=C\CC[C@H]1CCOC1)CO 238043744 572916026 /nfs/dbraw/zinc/91/60/26/572916026.db2.gz NHBRMYOSXCVRIR-RZCNENHTSA-N 0 0 170.252 1.742 10 0 ADAERN C/C(=C/c1ccccc1CCO)CO 238042887 572916068 /nfs/dbraw/zinc/91/60/68/572916068.db2.gz OADNIESAFKYHFB-NTMALXAHSA-N 0 0 192.258 1.617 10 0 ADAERN O=C(CCCCO)OCC1CCC1 308188527 572916069 /nfs/dbraw/zinc/91/60/69/572916069.db2.gz LMEMFLASQMLFIV-UHFFFAOYSA-N 0 0 186.251 1.492 10 0 ADAERN NC(=O)/C=C/c1ccc2nccnc2c1 211684177 572946303 /nfs/dbraw/zinc/94/63/03/572946303.db2.gz DDCZMGWNCKPWCI-DUXPYHPUSA-N 0 0 199.213 1.128 10 0 ADAERN CCCCC[NH2+]C1(C(=O)[O-])CCC1 88049607 572946305 /nfs/dbraw/zinc/94/63/05/572946305.db2.gz SCQFWLIDKKWXKV-UHFFFAOYSA-N 0 0 185.267 1.774 10 0 ADAERN CC(=O)C[C@@H]1CCCN1C(=O)N(C)C 86497064 572946352 /nfs/dbraw/zinc/94/63/52/572946352.db2.gz OPXGRCUKKDOYCF-VIFPVBQESA-N 0 0 198.266 1.112 10 0 ADAERN Nc1cnn(CCCCCF)c1 379332073 572946364 /nfs/dbraw/zinc/94/63/64/572946364.db2.gz HERSWKLCAHNRAS-UHFFFAOYSA-N 0 0 171.219 1.605 10 0 ADAERN CCC[S@](N)(=O)=NC[C@H]1C[C@@H]1C 404770277 572946393 /nfs/dbraw/zinc/94/63/93/572946393.db2.gz WEOMFYKNGSTKKG-JOAULVNJSA-N 0 0 190.312 1.394 10 0 ADAERN CC/C=C/C(=O)NCC[C@@H](O)CC 308212714 572946396 /nfs/dbraw/zinc/94/63/96/572946396.db2.gz HHGDNCVXJZQDDS-CYNONHLPSA-N 0 0 185.267 1.230 10 0 ADAERN C[C@@]1(c2cccc(F)c2F)CC(=O)N1 235423623 572946425 /nfs/dbraw/zinc/94/64/25/572946425.db2.gz RRWKRMNBSPARKG-JTQLQIEISA-N 0 0 197.184 1.700 10 0 ADAERN CC[C@@H](O)C(=O)N(C)[C@@H](C)C1CC1 308208867 572946437 /nfs/dbraw/zinc/94/64/37/572946437.db2.gz FEGTYYUNTKIIBA-IONNQARKSA-N 0 0 185.267 1.014 10 0 ADAERN CCN(OC)C(=O)[C@H]1C[C@@]1(C)CC 308212695 572946451 /nfs/dbraw/zinc/94/64/51/572946451.db2.gz HGPIESFLSLZSLT-PSASIEDQSA-N 0 0 185.267 1.833 10 0 ADAERN CCCOCCO[C@@H]1CC[C@@H](O)C1 86621639 572968229 /nfs/dbraw/zinc/96/82/29/572968229.db2.gz FSHNKBGOYJSOFP-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CCCC[C@H](O)Cc1nccn1C 86750106 572975695 /nfs/dbraw/zinc/97/56/95/572975695.db2.gz NUXQYIVPSJEXGN-VIFPVBQESA-N 0 0 182.267 1.514 10 0 ADAERN CC(C)(O)c1cccn2ccnc12 113268924 572996188 /nfs/dbraw/zinc/99/61/88/572996188.db2.gz SQDOLKWDIRHKNG-UHFFFAOYSA-N 0 0 176.219 1.562 10 0 ADAERN CCc1nc(N)cc(SC)n1 87906709 572996189 /nfs/dbraw/zinc/99/61/89/572996189.db2.gz YUYKGNKMWSEOGW-UHFFFAOYSA-N 0 0 169.253 1.343 10 0 ADAERN [NH3+][C@@H]1CCOc2cc(C(=O)[O-])ccc21 104530835 572996206 /nfs/dbraw/zinc/99/62/06/572996206.db2.gz FNENGAZBLZPVGV-MRVPVSSYSA-N 0 0 193.202 1.167 10 0 ADAERN OCc1coc(C[C@@H]2CCCCO2)n1 258207052 572996220 /nfs/dbraw/zinc/99/62/20/572996220.db2.gz UDNBDLHYJKYKTQ-VIFPVBQESA-N 0 0 197.234 1.279 10 0 ADAERN CCSc1cc(N)nc(CC)n1 87906673 572996233 /nfs/dbraw/zinc/99/62/33/572996233.db2.gz YQTDVQDKCXMIBK-UHFFFAOYSA-N 0 0 183.280 1.733 10 0 ADAERN CNc1cc(N)[nH+]c(C(C)(C)C)n1 87908961 572996243 /nfs/dbraw/zinc/99/62/43/572996243.db2.gz BWKGYAHMPDKOFF-UHFFFAOYSA-N 0 0 180.255 1.398 10 0 ADAERN O=CNc1nnc(-c2ccccc2)o1 113319224 572996254 /nfs/dbraw/zinc/99/62/54/572996254.db2.gz DFCFQMOATSWNKK-UHFFFAOYSA-N 0 0 189.174 1.305 10 0 ADAERN COC(=O)CC[C@@]1(C)CC[C@@H]1CO 308219630 572996293 /nfs/dbraw/zinc/99/62/93/572996293.db2.gz NUMPNPFZGQXVQV-PSASIEDQSA-N 0 0 186.251 1.348 10 0 ADAERN CCCNc1cc(=O)[nH]c(C2CC2)n1 87909290 572996300 /nfs/dbraw/zinc/99/63/00/572996300.db2.gz CCLAMUYDMBJUSL-UHFFFAOYSA-N 0 0 193.250 1.469 10 0 ADAERN CC(C)[C@@H]([NH3+])c1cccnc1N(C)C 104529359 572996303 /nfs/dbraw/zinc/99/63/03/572996303.db2.gz DKDWRLUZGYGVKG-SNVBAGLBSA-N 0 0 193.294 1.803 10 0 ADAERN NNc1c(Cl)nnc2ccccc12 104533163 572996317 /nfs/dbraw/zinc/99/63/17/572996317.db2.gz DNHCADONZKOCPU-UHFFFAOYSA-N 0 0 194.625 1.569 10 0 ADAERN CC(C)Nc1ncnc2c1ccn2C 82358936 572996323 /nfs/dbraw/zinc/99/63/23/572996323.db2.gz ISSHYXFPSGHSAU-UHFFFAOYSA-N 0 0 190.250 1.789 10 0 ADAERN CCCC(=O)[C@@H]1C[C@@H]1OC 238241987 572996331 /nfs/dbraw/zinc/99/63/31/572996331.db2.gz LEKKZBWDTJMXQC-XPUUQOCRSA-N 0 0 142.198 1.391 10 0 ADAERN CNc1nc(C2CC2)[nH+]c(NC)c1C 87917936 572996335 /nfs/dbraw/zinc/99/63/35/572996335.db2.gz KEOCGKNSFRDLTE-UHFFFAOYSA-N 0 0 192.266 1.746 10 0 ADAERN CCc1nc(N)cc(OC(C)C)n1 87906590 572996339 /nfs/dbraw/zinc/99/63/39/572996339.db2.gz SXBRYHPVQSBEDN-UHFFFAOYSA-N 0 0 181.239 1.408 10 0 ADAERN CC[C@@H]1C(=O)C[C@@H]1C 88177883 573100744 /nfs/dbraw/zinc/10/07/44/573100744.db2.gz AWCILAHYWJNMAQ-WDSKDSINSA-N 0 0 112.172 1.622 10 0 ADAERN CC[C@@H]1[C@@H](O)C[C@@H]1c1cnn(C)c1 88178483 573100753 /nfs/dbraw/zinc/10/07/53/573100753.db2.gz QKONHHVTOPDBPC-AEJSXWLSSA-N 0 0 180.251 1.295 10 0 ADAERN CC(C)(O)c1cc(O)c(F)cc1F 257943691 573100758 /nfs/dbraw/zinc/10/07/58/573100758.db2.gz AEPUYZXWLKFTFO-UHFFFAOYSA-N 0 0 188.173 1.898 10 0 ADAERN CC[C@H]1C(=O)C[C@H]1c1cnn(C)c1 88177616 573100778 /nfs/dbraw/zinc/10/07/78/573100778.db2.gz VKXRXGFRRPMLKL-BDAKNGLRSA-N 0 0 178.235 1.503 10 0 ADAERN CCn1cc([C@H]2CC(=O)[C@@H]2C)cn1 88177167 573100789 /nfs/dbraw/zinc/10/07/89/573100789.db2.gz ZTVSYOWUULADRY-APPZFPTMSA-N 0 0 178.235 1.596 10 0 ADAERN CC[C@H]1SC(=O)NC1=S 238279064 573100793 /nfs/dbraw/zinc/10/07/93/573100793.db2.gz IWOIOYDURUTARA-GSVOUGTGSA-N 0 0 161.251 1.549 10 0 ADAERN CC[C@@H](c1c[nH]cn1)[C@@H]1COC(=O)C1 238279366 573100798 /nfs/dbraw/zinc/10/07/98/573100798.db2.gz YKDUZGYVZFOQDH-JGVFFNPUSA-N 0 0 194.234 1.466 10 0 ADAERN Cc1nn(C)cc1[C@H]1C[C@@H](O)C1(C)C 88179091 573100801 /nfs/dbraw/zinc/10/08/01/573100801.db2.gz NASXYSMDNOSVGS-NXEZZACHSA-N 0 0 194.278 1.603 10 0 ADAERN Nc1ncc([C@H]2CCOC2)c(Cl)n1 258478799 573100802 /nfs/dbraw/zinc/10/08/02/573100802.db2.gz ILUJKLCNSHTSEF-YFKPBYRVSA-N 0 0 199.641 1.216 10 0 ADAERN C[C@@H]1[C@@H](O)C[C@@H]1c1cccnc1 88178559 573100820 /nfs/dbraw/zinc/10/08/20/573100820.db2.gz SFQVNXWEKJEEQC-HGNGGELXSA-N 0 0 163.220 1.566 10 0 ADAERN CC[C@@H](C)[C@H](O)c1cncnc1 82561428 573100823 /nfs/dbraw/zinc/10/08/23/573100823.db2.gz IZCZKABVGBIMST-APPZFPTMSA-N 0 0 166.224 1.556 10 0 ADAERN CC1(C)[C@@H](c2cnccn2)C[C@H]1O 88179039 573100827 /nfs/dbraw/zinc/10/08/27/573100827.db2.gz WTDNEFGMUUCYIL-VXNVDRBHSA-N 0 0 178.235 1.351 10 0 ADAERN C=Cc1ccc(OC)cc1N 104634813 573100853 /nfs/dbraw/zinc/10/08/53/573100853.db2.gz OAEYKINLSQOGQG-UHFFFAOYSA-N 0 0 149.193 1.920 10 0 ADAERN C[C@@H]1[C@@H](O)C[C@@H]1c1ccncc1 88178615 573100866 /nfs/dbraw/zinc/10/08/66/573100866.db2.gz DOXAORTXEKGBDY-HGNGGELXSA-N 0 0 163.220 1.566 10 0 ADAERN CC[C@@H]1Nc2ccccc2C(=O)N1N 238278374 573100869 /nfs/dbraw/zinc/10/08/69/573100869.db2.gz HHCBIEUJYYUPKS-SECBINFHSA-N 0 0 191.234 1.164 10 0 ADAERN CCN(CC)C(=O)NCc1cc[nH]c1 82357895 572996600 /nfs/dbraw/zinc/99/66/00/572996600.db2.gz QAHJLMSCLCXPTO-UHFFFAOYSA-N 0 0 195.266 1.566 10 0 ADAERN CCc1c(N)nc([C@H](C)CC)[nH]c1=O 82561243 573100880 /nfs/dbraw/zinc/10/08/80/573100880.db2.gz UFXATURSKSVLEK-ZCFIWIBFSA-N 0 0 195.266 1.428 10 0 ADAERN OCc1coc(C[C@H]2CCCOC2)n1 258221986 573011495 /nfs/dbraw/zinc/01/14/95/573011495.db2.gz VCSDPIOPUOJLKY-MRVPVSSYSA-N 0 0 197.234 1.136 10 0 ADAERN Cn1nc([C@]2(C)CCCS2)cc1N 258220748 573011507 /nfs/dbraw/zinc/01/15/07/573011507.db2.gz YMDCLWDYECUMFB-VIFPVBQESA-N 0 0 197.307 1.745 10 0 ADAERN C[C@H]1Cc2cccc(CCO)c2N1 257922993 573011517 /nfs/dbraw/zinc/01/15/17/573011517.db2.gz CDGFVUKSFOZWTH-QMMMGPOBSA-N 0 0 177.247 1.578 10 0 ADAERN CC1CCN(C(=O)n2ccnc2)CC1 82375487 573011539 /nfs/dbraw/zinc/01/15/39/573011539.db2.gz RLZHPGGCJHPDIJ-UHFFFAOYSA-N 0 0 193.250 1.583 10 0 ADAERN C=Cc1cccc(CCO)c1 113523711 573011546 /nfs/dbraw/zinc/01/15/46/573011546.db2.gz DRXBDKMDGIZVCG-UHFFFAOYSA-N 0 0 148.205 1.864 10 0 ADAERN CC(=O)c1coc(C2CCOCC2)n1 258219685 573011548 /nfs/dbraw/zinc/01/15/48/573011548.db2.gz UZCHDOQUWHMTRT-UHFFFAOYSA-N 0 0 195.218 1.771 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1)N[C@H](C)C2 258218836 573011560 /nfs/dbraw/zinc/01/15/60/573011560.db2.gz VRMVSPLDRRLVTN-BDAKNGLRSA-N 0 0 191.274 1.966 10 0 ADAERN CC(C)(C)CC(C)(C)NN 104562183 573011562 /nfs/dbraw/zinc/01/15/62/573011562.db2.gz OIHFUDQOMOJEPQ-UHFFFAOYSA-N 0 0 144.262 1.665 10 0 ADAERN CC(C)OC(=O)CN1CC[C@H]2C[C@H]21 308221619 573011567 /nfs/dbraw/zinc/01/15/67/573011567.db2.gz CJINZQNXHDXKSB-DTWKUNHWSA-N 0 0 183.251 1.032 10 0 ADAERN NN[C@H]1C2=CC=N[C@@H]2c2ccccc21 104564456 573011571 /nfs/dbraw/zinc/01/15/71/573011571.db2.gz PXSMGWOBMSQNFH-GHMZBOCLSA-N 0 0 185.230 1.257 10 0 ADAERN CCCNc1cccc(NN)c1 104560812 573011595 /nfs/dbraw/zinc/01/15/95/573011595.db2.gz YVOZYUZCNWXSOQ-UHFFFAOYSA-N 0 0 165.240 1.794 10 0 ADAERN CCO[C@@H](C)c1ncc(OC)c(=O)[nH]1 308475136 573011596 /nfs/dbraw/zinc/01/15/96/573011596.db2.gz KFKGJDDXJCTDDN-LURJTMIESA-N 0 0 198.222 1.288 10 0 ADAERN Nc1ccc(-c2ccccc2O)[nH]1 258217120 573011620 /nfs/dbraw/zinc/01/16/20/573011620.db2.gz XCBQINBPUMDKQD-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN CO[C@H](C)CC(=O)N[C@H]1CC[C@@H]1C 308222375 573011621 /nfs/dbraw/zinc/01/16/21/573011621.db2.gz DAKVTNNNXFNBSS-YIZRAAEISA-N 0 0 185.267 1.326 10 0 ADAERN NNc1ccccc1-c1cnco1 104558697 573011661 /nfs/dbraw/zinc/01/16/61/573011661.db2.gz SXYXMLIDTOSUBT-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN NNc1nc(F)c(F)cc1Cl 104559959 573011679 /nfs/dbraw/zinc/01/16/79/573011679.db2.gz ALALGJUHLZTXOQ-UHFFFAOYSA-N 0 0 179.557 1.299 10 0 ADAERN Cc1ncc(C(=O)COC(C)C)n1C 308475932 573016307 /nfs/dbraw/zinc/01/63/07/573016307.db2.gz LBMRASWPAAXKFN-UHFFFAOYSA-N 0 0 196.250 1.336 10 0 ADAERN COC(=O)c1ccc(C(C)(C)O)nc1 114186052 573059893 /nfs/dbraw/zinc/05/98/93/573059893.db2.gz VMKHHBVOLPVPCA-UHFFFAOYSA-N 0 0 195.218 1.096 10 0 ADAERN CCC1(CNC=CC(=O)OC)CCC1 308487952 573059899 /nfs/dbraw/zinc/05/98/99/573059899.db2.gz NUJNJSYXUDSMTF-YVMONPNESA-N 0 0 197.278 1.843 10 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ADAERN C/C=C/COC(=O)[C@H]1CCCN1C 308289724 573166641 /nfs/dbraw/zinc/16/66/41/573166641.db2.gz GJBVGVLUUSDSGR-CDAZIORVSA-N 0 0 183.251 1.200 10 0 ADAERN CCOC(=O)[C@H](CC)c1c[nH]c(C)n1 259602285 573166650 /nfs/dbraw/zinc/16/66/50/573166650.db2.gz CXVKQJOMWQTXNH-MRVPVSSYSA-N 0 0 196.250 1.775 10 0 ADAERN CNc1cnnc(-c2ccc(C)o2)n1 259350897 573166656 /nfs/dbraw/zinc/16/66/56/573166656.db2.gz VWLOLPCINRPNTH-UHFFFAOYSA-N 0 0 190.206 1.482 10 0 ADAERN OC1(CNn2cccc2)CCCCC1 85830737 573166657 /nfs/dbraw/zinc/16/66/57/573166657.db2.gz HWEBWKAEMJGGJO-UHFFFAOYSA-N 0 0 194.278 1.727 10 0 ADAERN COc1cc(Nn2cccc2)ncn1 85832221 573166665 /nfs/dbraw/zinc/16/66/65/573166665.db2.gz KDSCLWVQINELFH-UHFFFAOYSA-N 0 0 190.206 1.162 10 0 ADAERN O=C(Nc1nnc(C2CC2)o1)C1CC1 82738148 573166674 /nfs/dbraw/zinc/16/66/74/573166674.db2.gz LNQZEFCGFTUTLM-UHFFFAOYSA-N 0 0 193.206 1.296 10 0 ADAERN CCc1ccc(N)c(CN(C)OC)c1 308511714 573166684 /nfs/dbraw/zinc/16/66/84/573166684.db2.gz SLXNRUJGZBYQLV-UHFFFAOYSA-N 0 0 194.278 1.824 10 0 ADAERN CCc1c[nH]c(=S)n1C 82707767 573166715 /nfs/dbraw/zinc/16/67/15/573166715.db2.gz YSIGTKWMEOBQFB-UHFFFAOYSA-N 0 0 142.227 1.645 10 0 ADAERN CC(=O)c1ccn(C[C@@H]2CCCO2)c1 85832840 573166727 /nfs/dbraw/zinc/16/67/27/573166727.db2.gz XDYBEQZNGXXGDA-NSHDSACASA-N 0 0 193.246 1.870 10 0 ADAERN CC(C)C(=O)Nc1nnc(C2CC2)o1 82738149 573166730 /nfs/dbraw/zinc/16/67/30/573166730.db2.gz PMRNUNDEHLMELW-UHFFFAOYSA-N 0 0 195.222 1.542 10 0 ADAERN CC(=O)[C@H](N)c1cc(C)c(C)o1 104674426 573166750 /nfs/dbraw/zinc/16/67/50/573166750.db2.gz NPTLQNXGAYDEJA-VIFPVBQESA-N 0 0 167.208 1.485 10 0 ADAERN C[C@H]1CCN(S(C)(=O)=O)[C@H](C)C1 82738241 573166753 /nfs/dbraw/zinc/16/67/53/573166753.db2.gz VYAALENYUGGOTM-JGVFFNPUSA-N 0 0 191.296 1.066 10 0 ADAERN CCCC[N@H+](C)C[C@H](C)CC(=O)[O-] 258563438 573166759 /nfs/dbraw/zinc/16/67/59/573166759.db2.gz CCAYEAJZNUSSMB-SECBINFHSA-N 0 0 187.283 1.829 10 0 ADAERN C[C@H](O)c1cccn1C(F)F 85833724 573166766 /nfs/dbraw/zinc/16/67/66/573166766.db2.gz XMJQQOKNQCBUGI-YFKPBYRVSA-N 0 0 161.151 1.937 10 0 ADAERN OC1(CCOc2ccncc2)CC1 308290039 573166769 /nfs/dbraw/zinc/16/67/69/573166769.db2.gz GEIIKDXBXOUOQX-UHFFFAOYSA-N 0 0 179.219 1.375 10 0 ADAERN CC(C)[C@@H]1CCC(=O)N(CCO)CC1 82725535 573166773 /nfs/dbraw/zinc/16/67/73/573166773.db2.gz SYRZVLFDIIIFRU-SNVBAGLBSA-N 0 0 199.294 1.263 10 0 ADAERN Nc1ccc(N2C[C@H]3CC[C@@H]3C2)nc1 115233528 573166777 /nfs/dbraw/zinc/16/67/77/573166777.db2.gz FSZHXNVUEMGOIS-RKDXNWHRSA-N 0 0 189.262 1.510 10 0 ADAERN C[C@H](O)c1cccn1Cc1ccno1 85833098 573166779 /nfs/dbraw/zinc/16/67/79/573166779.db2.gz PFAIVTRHGOPSHD-QMMMGPOBSA-N 0 0 192.218 1.578 10 0 ADAERN Cc1ccc(C)n1Nc1ncccn1 85832425 573166786 /nfs/dbraw/zinc/16/67/86/573166786.db2.gz CUGRXXUPGIVPLW-UHFFFAOYSA-N 0 0 188.234 1.770 10 0 ADAERN C[C@@H](O)[C@@H]([NH3+])c1ccccc1[S-] 104672755 573166790 /nfs/dbraw/zinc/16/67/90/573166790.db2.gz JOZXQJUTGMOFLA-HZGVNTEJSA-N 0 0 183.276 1.356 10 0 ADAERN Cc1nc(CNn2cccc2)oc1C 85830394 573166794 /nfs/dbraw/zinc/16/67/94/573166794.db2.gz PKPQPFYYMDLLOO-UHFFFAOYSA-N 0 0 191.234 1.837 10 0 ADAERN CCOC[C@@H](C)NC(=O)CC(C)C 308289909 573166812 /nfs/dbraw/zinc/16/68/12/573166812.db2.gz DCXNAOFOGRPGLA-SECBINFHSA-N 0 0 187.283 1.574 10 0 ADAERN CC(=O)c1ccn(Cc2ncon2)c1 85832952 573166844 /nfs/dbraw/zinc/16/68/44/573166844.db2.gz QPVXNDDFTGKXJP-UHFFFAOYSA-N 0 0 191.190 1.122 10 0 ADAERN C[C@H](O)c1ccn(Cc2ccno2)c1 85833798 573166847 /nfs/dbraw/zinc/16/68/47/573166847.db2.gz YOXKSEWDXZOSMY-QMMMGPOBSA-N 0 0 192.218 1.578 10 0 ADAERN CC[C@H](C)N(C)C(=O)/C=C/COC 308289742 573166873 /nfs/dbraw/zinc/16/68/73/573166873.db2.gz GJLIDAPZWAQWJT-UCUJLANTSA-N 0 0 185.267 1.446 10 0 ADAERN CC[C@@H]1[C@H](CC(=O)[O-])CCCC[N@@H+]1C 238298144 573166922 /nfs/dbraw/zinc/16/69/22/573166922.db2.gz MQBVIUFHUHXLLT-VHSXEESVSA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)c1cccn1C[C@H]1CCCO1 85832541 573166934 /nfs/dbraw/zinc/16/69/34/573166934.db2.gz BTYRZURKPZTGSC-SNVBAGLBSA-N 0 0 193.246 1.870 10 0 ADAERN Nc1cncc(N[C@@H]2CC=CCC2)n1 82730639 573168133 /nfs/dbraw/zinc/16/81/33/573168133.db2.gz TZFIIYVEMSHGSY-MRVPVSSYSA-N 0 0 190.250 1.579 10 0 ADAERN CCOCn1ccc([C@@H](C)O)c1 85834479 573168179 /nfs/dbraw/zinc/16/81/79/573168179.db2.gz XYISANXAXOJCGY-MRVPVSSYSA-N 0 0 169.224 1.535 10 0 ADAERN CC(=O)c1ccn(Cc2ccno2)c1 85832793 573168192 /nfs/dbraw/zinc/16/81/92/573168192.db2.gz SVZHIQRTFVZPLD-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN CCC[C@]1(C2CC2)C[NH2+]C[C@H]1C(=O)[O-] 308513115 573168215 /nfs/dbraw/zinc/16/82/15/573168215.db2.gz CZPZTMVVEFYUEC-GXSJLCMTSA-N 0 0 197.278 1.487 10 0 ADAERN O=C1OCC[C@@H]1NCC1(C2CC2)CC1 308511355 573168222 /nfs/dbraw/zinc/16/82/22/573168222.db2.gz JROQGVYJMSSIIJ-VIFPVBQESA-N 0 0 195.262 1.082 10 0 ADAERN CCc1ccc(C[C@H](O)COC)cc1 49962486 573168224 /nfs/dbraw/zinc/16/82/24/573168224.db2.gz LKXICQDEFRMGIL-LBPRGKRZSA-N 0 0 194.274 1.799 10 0 ADAERN C[C@H](O)c1cccn1C[C@@H]1CCCO1 85833153 573168231 /nfs/dbraw/zinc/16/82/31/573168231.db2.gz ITXGLFLPMAVAJZ-UWVGGRQHSA-N 0 0 195.262 1.720 10 0 ADAERN CCc1ccn2c(N)cnc2c1OC 238298389 573168237 /nfs/dbraw/zinc/16/82/37/573168237.db2.gz LCOPJSAEJWRJCD-UHFFFAOYSA-N 0 0 191.234 1.488 10 0 ADAERN c1cnc2c(c1)nc1n2CCCC1 115244508 573168253 /nfs/dbraw/zinc/16/82/53/573168253.db2.gz PIHMWPLFQLIBLU-UHFFFAOYSA-N 0 0 173.219 1.768 10 0 ADAERN CC(C)[C@@H](C)CN1CCC(=O)C1=O 82737934 573168295 /nfs/dbraw/zinc/16/82/95/573168295.db2.gz UWJPHCGJZWIJAF-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN CCCCC(=O)N(CC)C[C@@H](C)O 308300344 573168297 /nfs/dbraw/zinc/16/82/97/573168297.db2.gz LLKLSFVDPJQIDS-SECBINFHSA-N 0 0 187.283 1.406 10 0 ADAERN CCCn1cccc1[C@H](C)O 85833083 573168299 /nfs/dbraw/zinc/16/82/99/573168299.db2.gz RFJVRCUQNVZDEK-QMMMGPOBSA-N 0 0 153.225 1.951 10 0 ADAERN CC[C@]1(C)CC(C)=NC(=S)N1 238303042 573168310 /nfs/dbraw/zinc/16/83/10/573168310.db2.gz BMELLQHFILGEOQ-MRVPVSSYSA-N 0 0 170.281 1.948 10 0 ADAERN FC(F)(F)CNn1cccc1 85830639 573169557 /nfs/dbraw/zinc/16/95/57/573169557.db2.gz SCJMUNWFMZOUKF-UHFFFAOYSA-N 0 0 164.130 1.594 10 0 ADAERN C[C@@H](O)c1cnc(C[C@H]2CCOC2)o1 257961421 573183511 /nfs/dbraw/zinc/18/35/11/573183511.db2.gz GLBPOLNKVBVPTL-HTQZYQBOSA-N 0 0 197.234 1.307 10 0 ADAERN N[C@H](c1cccc(=O)[nH]1)C(F)(F)F 104682652 573183524 /nfs/dbraw/zinc/18/35/24/573183524.db2.gz PTHMRMUDNSYPMJ-ZCFIWIBFSA-N 0 0 192.140 1.349 10 0 ADAERN Cc1cc2cc(C)ncn2c1 104684672 573183542 /nfs/dbraw/zinc/18/35/42/573183542.db2.gz OYMXMIOBEQFXII-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN Cc1ccc(CON)cc1O 257961456 573183554 /nfs/dbraw/zinc/18/35/54/573183554.db2.gz GVLQEOKJFYCLRQ-UHFFFAOYSA-N 0 0 153.181 1.091 10 0 ADAERN C[C@@H](Cc1ccccc1)[C@H](C)NC=O 238412037 573183588 /nfs/dbraw/zinc/18/35/88/573183588.db2.gz MBPQIOFSKAXZHB-QWRGUYRKSA-N 0 0 191.274 2.000 10 0 ADAERN O=C([O-])c1cccc([C@H]2CC[NH2+]2)c1F 104682893 573183612 /nfs/dbraw/zinc/18/36/12/573183612.db2.gz AOHIEECRAJWMQE-MRVPVSSYSA-N 0 0 195.193 1.558 10 0 ADAERN CCON(C)C(=O)Cc1cccs1 308295135 573183614 /nfs/dbraw/zinc/18/36/14/573183614.db2.gz HRDVGVYVCWFRIC-UHFFFAOYSA-N 0 0 199.275 1.701 10 0 ADAERN CCc1ccccc1CNC(N)=S 82774651 573183621 /nfs/dbraw/zinc/18/36/21/573183621.db2.gz BCPIUMXFUSHZET-UHFFFAOYSA-N 0 0 194.303 1.582 10 0 ADAERN C/C=C\C(=O)NCC1(C(F)F)CC1 308295884 573183632 /nfs/dbraw/zinc/18/36/32/573183632.db2.gz JXNIVGTXNCQQDV-IHWYPQMZSA-N 0 0 189.205 1.724 10 0 ADAERN CO[C@@H](C)CC(=O)OCC[C@H](C)F 308296094 573183654 /nfs/dbraw/zinc/18/36/54/573183654.db2.gz IDDJSJFLVOPOPN-YUMQZZPRSA-N 0 0 192.230 1.703 10 0 ADAERN COc1ccc(C(C)(C)O)c(C=O)c1 257960438 573183670 /nfs/dbraw/zinc/18/36/70/573183670.db2.gz BVVGSOIFBOSHJC-UHFFFAOYSA-N 0 0 194.230 1.735 10 0 ADAERN CC(C)(C(=O)[O-])[C@H]([NH3+])c1cccnc1 104682261 573183680 /nfs/dbraw/zinc/18/36/80/573183680.db2.gz LKMMJUCWXUYCIY-MRVPVSSYSA-N 0 0 194.234 1.192 10 0 ADAERN CN(C)CC(=O)c1sccc1N 104684079 573183696 /nfs/dbraw/zinc/18/36/96/573183696.db2.gz JZDSBCJZKAYAPV-UHFFFAOYSA-N 0 0 184.264 1.075 10 0 ADAERN Nc1nnc(NC2C3(CC3)C23CC3)o1 715594301 573183702 /nfs/dbraw/zinc/18/37/02/573183702.db2.gz XDSMFUHCUOVMCN-UHFFFAOYSA-N 0 0 192.222 1.006 10 0 ADAERN COc1ncc(Br)o1 257960772 573183713 /nfs/dbraw/zinc/18/37/13/573183713.db2.gz YGAMQABWCCSSTK-UHFFFAOYSA-N 0 0 177.985 1.446 10 0 ADAERN CC1(C)[C@H](C(=O)[O-])CC[N@@H+]1C1CC1 259359836 573183715 /nfs/dbraw/zinc/18/37/15/573183715.db2.gz KDWUWAUCWMJNIJ-QMMMGPOBSA-N 0 0 183.251 1.334 10 0 ADAERN C1=CCc2cocc2C1 104683022 573183723 /nfs/dbraw/zinc/18/37/23/573183723.db2.gz VUOGRVZDYNSYFW-UHFFFAOYSA-N 0 0 120.151 1.934 10 0 ADAERN CCON(C)C(=O)[C@H]1C[C@@]1(C)CC 308296337 573183756 /nfs/dbraw/zinc/18/37/56/573183756.db2.gz IJRVYDNPAKFJTN-PSASIEDQSA-N 0 0 185.267 1.833 10 0 ADAERN Cc1cc2c(cc1N)C(=O)CCO2 104684261 573183767 /nfs/dbraw/zinc/18/37/67/573183767.db2.gz GXVXVOAOKPRGDM-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN CC(C)(C)c1[nH]c(=O)c(N)cc1N 257962187 573183779 /nfs/dbraw/zinc/18/37/79/573183779.db2.gz XMZZVPFEAJWECX-UHFFFAOYSA-N 0 0 181.239 1.249 10 0 ADAERN C/C=C\C(=O)NCC(F)(F)C1CC1 308295221 573183786 /nfs/dbraw/zinc/18/37/86/573183786.db2.gz JQYZMFZUTAGOOP-IHWYPQMZSA-N 0 0 189.205 1.724 10 0 ADAERN CC[C@@H]1[C@@H]([NH3+])c2ccccc2[S@@]1=O 82765239 573183791 /nfs/dbraw/zinc/18/37/91/573183791.db2.gz ZFIGCXPUNJZIRV-DVYJOKAKSA-N 0 0 195.287 1.586 10 0 ADAERN C[C@@H](CO)Cc1cccnc1 82764674 573183799 /nfs/dbraw/zinc/18/37/99/573183799.db2.gz LOZOUOOHQWUFAP-MRVPVSSYSA-N 0 0 151.209 1.253 10 0 ADAERN C/C=C/CN(C)Cc1nnc(C)[nH]1 308294680 573183800 /nfs/dbraw/zinc/18/38/00/573183800.db2.gz JKLMQUQVZACFDB-SNAWJCMRSA-N 0 0 180.255 1.121 10 0 ADAERN Cc1cc2c(cc1N)OCCC2=O 104683803 573183823 /nfs/dbraw/zinc/18/38/23/573183823.db2.gz MLGVBSDLYJWRDK-UHFFFAOYSA-N 0 0 177.203 1.542 10 0 ADAERN C1=NSCCC1 104683615 573183829 /nfs/dbraw/zinc/18/38/29/573183829.db2.gz WSXNRJXPTNQJBH-UHFFFAOYSA-N 0 0 101.174 1.499 10 0 ADAERN CO[C@@H]1Cc2cccc(O)c2C1 258572248 573183834 /nfs/dbraw/zinc/18/38/34/573183834.db2.gz RQPSKOQHSADQCL-MRVPVSSYSA-N 0 0 164.204 1.506 10 0 ADAERN C[C@@H](CO)Cc1cncc(F)c1 82764715 573183839 /nfs/dbraw/zinc/18/38/39/573183839.db2.gz ACGQZTHQUDQWKA-SSDOTTSWSA-N 0 0 169.199 1.392 10 0 ADAERN C/C=C/COC(=O)[C@H](O)[C@@H](C)CC 308295113 573183849 /nfs/dbraw/zinc/18/38/49/573183849.db2.gz JPZPSDOOPDOJCL-HNEWHRDISA-N 0 0 186.251 1.513 10 0 ADAERN CCOCC(=O)OCc1ccc[nH]1 308296274 573183860 /nfs/dbraw/zinc/18/38/60/573183860.db2.gz IICJSRTXLKCGTQ-UHFFFAOYSA-N 0 0 183.207 1.094 10 0 ADAERN Cc1ccnc(C(=O)CN(C)C)c1 104684973 573183861 /nfs/dbraw/zinc/18/38/61/573183861.db2.gz AZRZSRWOABQPEE-UHFFFAOYSA-N 0 0 178.235 1.134 10 0 ADAERN Nc1occc1C(=O)N1CCCC1 257961836 573183880 /nfs/dbraw/zinc/18/38/80/573183880.db2.gz ULDBWOVBVVYVMK-UHFFFAOYSA-N 0 0 180.207 1.098 10 0 ADAERN Cc1ccc(-c2cccc(=O)[nH]2)cn1 235897927 573183894 /nfs/dbraw/zinc/18/38/94/573183894.db2.gz ODNRSNAXMMQSBF-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN COc1ccc(O)cc1NC(N)=S 142179315 573183932 /nfs/dbraw/zinc/18/39/32/573183932.db2.gz UYKHXNJQBOTXMJ-UHFFFAOYSA-N 0 0 198.247 1.056 10 0 ADAERN C[C@@H](C[NH2+]C1CC(C2CC2)C1)C(=O)[O-] 714641853 573183979 /nfs/dbraw/zinc/18/39/79/573183979.db2.gz WFWYSCGOXOFKKH-WFRXLMHJSA-N 0 0 197.278 1.485 10 0 ADAERN C[C@@H](CC1=CCC[NH2+]C1)C(=O)[O-] 257962556 573183989 /nfs/dbraw/zinc/18/39/89/573183989.db2.gz FVRPSKGTJAPMTI-ZETCQYMHSA-N 0 0 169.224 1.017 10 0 ADAERN C[C@H](CO)C[C@@H]1CCOC1 82764617 573184004 /nfs/dbraw/zinc/18/40/04/573184004.db2.gz RDRGCSRVSHNNSB-YUMQZZPRSA-N 0 0 144.214 1.041 10 0 ADAERN [NH3+][C@H]1CCc2cc(F)c(C(=O)[O-])cc21 104684549 573184019 /nfs/dbraw/zinc/18/40/19/573184019.db2.gz WTMWGWDIEAECMP-VIFPVBQESA-N 0 0 195.193 1.470 10 0 ADAERN O=Cc1coc(C[C@H]2CCCO2)n1 257961305 573184039 /nfs/dbraw/zinc/18/40/39/573184039.db2.gz GJCNFBMTXDFVBO-MRVPVSSYSA-N 0 0 181.191 1.209 10 0 ADAERN CC[C@]1(C)NC(=S)N=C(C)C1C 238306383 573184052 /nfs/dbraw/zinc/18/40/52/573184052.db2.gz RZRIZIKKFWEANS-VIFPVBQESA-N 0 0 184.308 1.927 10 0 ADAERN C[C@@H](CO)C[C@@H]1CCOC1 82764618 573184055 /nfs/dbraw/zinc/18/40/55/573184055.db2.gz RDRGCSRVSHNNSB-SFYZADRCSA-N 0 0 144.214 1.041 10 0 ADAERN CN1C(=S)NC[C@H]2CCCC[C@H]21 238300487 573184068 /nfs/dbraw/zinc/18/40/68/573184068.db2.gz WGJZGDNBDVCVGX-HTQZYQBOSA-N 0 0 184.308 1.365 10 0 ADAERN CCON(C)C(=O)[C@H]1C[C@]1(C)CC 308296342 573184072 /nfs/dbraw/zinc/18/40/72/573184072.db2.gz IJRVYDNPAKFJTN-SCZZXKLOSA-N 0 0 185.267 1.833 10 0 ADAERN CCN1C(=O)CC2(CCCC2)NC1=O 82770818 573184085 /nfs/dbraw/zinc/18/40/85/573184085.db2.gz FKEJICSJQFVVBY-UHFFFAOYSA-N 0 0 196.250 1.261 10 0 ADAERN CC(=O)[C@H](N)c1cccc(N(C)C)c1 104683253 573184118 /nfs/dbraw/zinc/18/41/18/573184118.db2.gz TUWVBXINXWSZOC-NSHDSACASA-N 0 0 192.262 1.341 10 0 ADAERN Nc1cnncc1-c1ccc(Cl)o1 257962338 573184120 /nfs/dbraw/zinc/18/41/20/573184120.db2.gz NGQIVIHIKCXOFQ-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN O=C1CNC[C@H](c2ccccc2)C1 257962148 573184144 /nfs/dbraw/zinc/18/41/44/573184144.db2.gz XMJJMXOIHZXOQY-SNVBAGLBSA-N 0 0 175.231 1.333 10 0 ADAERN Cn1ccc2ccc(CCON)cc21 257960429 573184159 /nfs/dbraw/zinc/18/41/59/573184159.db2.gz BVPPOHRHLFMZDG-UHFFFAOYSA-N 0 0 190.246 1.611 10 0 ADAERN [NH3+][C@@H](c1cccnc1C(=O)[O-])C1CC1 104685177 573184175 /nfs/dbraw/zinc/18/41/75/573184175.db2.gz XQVKMQXVTOUUHN-MRVPVSSYSA-N 0 0 192.218 1.190 10 0 ADAERN CC[C@@H](NC(C)=O)c1cccnc1 238300055 573184200 /nfs/dbraw/zinc/18/42/00/573184200.db2.gz VLMRVPGKOPABPT-SNVBAGLBSA-N 0 0 178.235 1.669 10 0 ADAERN C[C@H](CO)Cc1cccc(F)c1 82764587 573184201 /nfs/dbraw/zinc/18/42/01/573184201.db2.gz GKLFFNRFNOHOJB-QMMMGPOBSA-N 0 0 168.211 1.997 10 0 ADAERN Cc1[nH]c(C(=O)CN(C)C)c(C)c1C 104684053 573184203 /nfs/dbraw/zinc/18/42/03/573184203.db2.gz XIFKAZUDGNGPME-UHFFFAOYSA-N 0 0 194.278 1.684 10 0 ADAERN C[C@@H]1[C@@](F)(Cl)[C@@]1(C)CO 142137771 573184218 /nfs/dbraw/zinc/18/42/18/573184218.db2.gz ZHVTWJMOKSMBNC-ZLUOBGJFSA-N 0 0 152.596 1.539 10 0 ADAERN C[C@@]1(F)CCCc2[nH]nc(C=O)c21 257962284 573184223 /nfs/dbraw/zinc/18/42/23/573184223.db2.gz XPCVGVMSJNPECJ-SECBINFHSA-N 0 0 182.198 1.743 10 0 ADAERN Cc1cccc(C2=NC(=O)CN2C)n1 235899793 573184232 /nfs/dbraw/zinc/18/42/32/573184232.db2.gz GAHZCFQQQJSQKR-UHFFFAOYSA-N 0 0 189.218 1.496 10 0 ADAERN CC[C@H](OC)c1noc(C)n1 306568613 573184243 /nfs/dbraw/zinc/18/42/43/573184243.db2.gz JLGQACKSCBSTRM-LURJTMIESA-N 0 0 156.185 1.476 10 0 ADAERN Oc1cccc2nnc(C3CC3)n12 257961232 573184251 /nfs/dbraw/zinc/18/42/51/573184251.db2.gz LYVXYJHDZXRBDP-UHFFFAOYSA-N 0 0 175.191 1.312 10 0 ADAERN CO[C@@H](C)CCNc1nc(C)no1 308294586 573184254 /nfs/dbraw/zinc/18/42/54/573184254.db2.gz RRLLCJYHNCVJEF-LURJTMIESA-N 0 0 185.227 1.215 10 0 ADAERN CCNC(=O)[C@@]1(C)CC1(Cl)Cl 115313564 573184284 /nfs/dbraw/zinc/18/42/84/573184284.db2.gz HNPPFRWGRFLISN-ZCFIWIBFSA-N 0 0 196.077 1.706 10 0 ADAERN Cc1cccn2c([C@H](C)O)ncc12 257960826 573184290 /nfs/dbraw/zinc/18/42/90/573184290.db2.gz XHXSCMNYJJOOFL-QMMMGPOBSA-N 0 0 176.219 1.696 10 0 ADAERN C[C@H](CO)CC[C@H]1CCCO1 82764601 573184300 /nfs/dbraw/zinc/18/43/00/573184300.db2.gz OQRIPORTSHKJKB-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cc2nc(C)ccn2c1 104684156 573184306 /nfs/dbraw/zinc/18/43/06/573184306.db2.gz HTAOGFFJLRONAP-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN CN1CCCNc2cccc(O)c21 259355965 573184308 /nfs/dbraw/zinc/18/43/08/573184308.db2.gz URZNYJRQUJKVAS-UHFFFAOYSA-N 0 0 178.235 1.644 10 0 ADAERN CSCC(=O)NC[C@H]1C[C@H]1C1CC1 308294769 573184316 /nfs/dbraw/zinc/18/43/16/573184316.db2.gz HKGAGYPZAMWUFD-BDAKNGLRSA-N 0 0 199.319 1.512 10 0 ADAERN CO[C@H](/C=C(/C)CO)C(C)C 142169611 573184317 /nfs/dbraw/zinc/18/43/17/573184317.db2.gz ISQRFMBQIVBHGK-BZJXQOFCSA-N 0 0 158.241 1.596 10 0 ADAERN CC[C@]1(C)NC(=O)C[C@@H]1C 238306093 573184319 /nfs/dbraw/zinc/18/43/19/573184319.db2.gz ZALGXAWTNGZPPM-XPUUQOCRSA-N 0 0 141.214 1.311 10 0 ADAERN C=C=CC[C@@H](O)CC 238306390 573184323 /nfs/dbraw/zinc/18/43/23/573184323.db2.gz MUUUOVFYCHZRSY-ZETCQYMHSA-N 0 0 112.172 1.489 10 0 ADAERN O=C1CCOc2c1ccc1c2OCO1 104684299 573184367 /nfs/dbraw/zinc/18/43/67/573184367.db2.gz JRNAJFUOQOVXDU-UHFFFAOYSA-N 0 0 192.170 1.381 10 0 ADAERN CCCCN1C(=O)CC(C)(C)NC1=O 82770811 573184370 /nfs/dbraw/zinc/18/43/70/573184370.db2.gz PIVVNJQROHVEMC-UHFFFAOYSA-N 0 0 198.266 1.507 10 0 ADAERN C/C=C(\C)C(=O)N(C)[C@@H](C)COC 308294751 573184371 /nfs/dbraw/zinc/18/43/71/573184371.db2.gz HJCXSXXDRYVSEX-ORZBULNSSA-N 0 0 185.267 1.446 10 0 ADAERN CCC[C@@H]([C@H](C)C(=O)[O-])[NH+](C)C 259360261 573184373 /nfs/dbraw/zinc/18/43/73/573184373.db2.gz FVMIOUUVWUALJV-YUMQZZPRSA-N 0 0 173.256 1.437 10 0 ADAERN C[C@H](CC1=CCC[NH2+]C1)C(=O)[O-] 257962553 573184375 /nfs/dbraw/zinc/18/43/75/573184375.db2.gz FVRPSKGTJAPMTI-SSDOTTSWSA-N 0 0 169.224 1.017 10 0 ADAERN C[C@@H](O)c1cnc(-c2ccncc2)o1 258238060 573184380 /nfs/dbraw/zinc/18/43/80/573184380.db2.gz VYZRWJXZWJDCAV-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN O=Cc1coc(C[C@@H]2CCCO2)n1 257961308 573184382 /nfs/dbraw/zinc/18/43/82/573184382.db2.gz GJCNFBMTXDFVBO-QMMMGPOBSA-N 0 0 181.191 1.209 10 0 ADAERN [NH3+][C@H]1CCc2cc(C(=O)[O-])c(F)cc21 104684068 573184393 /nfs/dbraw/zinc/18/43/93/573184393.db2.gz RHHPAMVEMKPPQI-VIFPVBQESA-N 0 0 195.193 1.470 10 0 ADAERN CC(C)CONC(=O)N[C@@H](C)CF 308294616 573184408 /nfs/dbraw/zinc/18/44/08/573184408.db2.gz RWGVXIZGXURXBI-ZETCQYMHSA-N 0 0 192.234 1.231 10 0 ADAERN Cc1ccc2c(c1)C[C@H](CO)CO2 235894710 573184417 /nfs/dbraw/zinc/18/44/17/573184417.db2.gz PDGWKMHBBNRYMH-SECBINFHSA-N 0 0 178.231 1.538 10 0 ADAERN C[C@@H]1C[C@H]1CC(=O)O[C@H]1CCOC1 308294718 573184427 /nfs/dbraw/zinc/18/44/27/573184427.db2.gz JNIXYAZJQHBKOI-VGMNWLOBSA-N 0 0 184.235 1.365 10 0 ADAERN CN[C@H](N)c1cc(Cl)ccc1F 259356507 573184446 /nfs/dbraw/zinc/18/44/46/573184446.db2.gz MCSAXJYOVSKTQJ-QMMMGPOBSA-N 0 0 188.633 1.656 10 0 ADAERN CSCCN(C)C(=O)c1ccc[nH]1 308294529 573184462 /nfs/dbraw/zinc/18/44/62/573184462.db2.gz HIAOYDJFWCGUJR-UHFFFAOYSA-N 0 0 198.291 1.450 10 0 ADAERN COC[C@H](C)C[C@H](C)CO 82764519 573184467 /nfs/dbraw/zinc/18/44/67/573184467.db2.gz QCEMJGNHYLXSIA-JGVFFNPUSA-N 0 0 146.230 1.287 10 0 ADAERN CC[C@H](O)[C@@H]1CC(C)(C)CC[C@@H]1O 115307030 573184468 /nfs/dbraw/zinc/18/44/68/573184468.db2.gz ZVLLAZFFOOZKQC-GUBZILKMSA-N 0 0 186.295 1.945 10 0 ADAERN CCOCCOC(=O)/C=C\C(C)C 308296251 573184477 /nfs/dbraw/zinc/18/44/77/573184477.db2.gz IHUFIJRETNNLOY-WAYWQWQTSA-N 0 0 186.251 1.778 10 0 ADAERN ONCc1c(F)ccc2c1OCC2 257962463 573184490 /nfs/dbraw/zinc/18/44/90/573184490.db2.gz BWKZVLQADKKDDL-UHFFFAOYSA-N 0 0 183.182 1.239 10 0 ADAERN C[C@@H]1C[C@@H]1CC(=O)O[C@@H]1CCOC1 308294717 573184493 /nfs/dbraw/zinc/18/44/93/573184493.db2.gz JNIXYAZJQHBKOI-IWSPIJDZSA-N 0 0 184.235 1.365 10 0 ADAERN O=C1C[C@H]2CCCC=C2N1 115315733 573184494 /nfs/dbraw/zinc/18/44/94/573184494.db2.gz XYOTVNLEVSFRRG-ZCFIWIBFSA-N 0 0 137.182 1.190 10 0 ADAERN Cc1cc2ncccn2c1C 104684152 573184510 /nfs/dbraw/zinc/18/45/10/573184510.db2.gz BPHKCCNHIWLGSS-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN COC[C@H](C)C[C@@H](C)CO 82764520 573184513 /nfs/dbraw/zinc/18/45/13/573184513.db2.gz QCEMJGNHYLXSIA-HTQZYQBOSA-N 0 0 146.230 1.287 10 0 ADAERN CCOCCC[C@H](C)CO 82764542 573184533 /nfs/dbraw/zinc/18/45/33/573184533.db2.gz AMYXGIQOXUJDCE-QMMMGPOBSA-N 0 0 146.230 1.432 10 0 ADAERN CCO[C@]1(C)CCC[C@H]1O 238306440 573184535 /nfs/dbraw/zinc/18/45/35/573184535.db2.gz AZZNKRJDFMCSML-HTQZYQBOSA-N 0 0 144.214 1.326 10 0 ADAERN OCc1ccc2c(c1F)OCO2 257961470 573184539 /nfs/dbraw/zinc/18/45/39/573184539.db2.gz GWEABSHXXXPEPX-UHFFFAOYSA-N 0 0 170.139 1.047 10 0 ADAERN COc1cccc(C[C@H](C)ON)c1 259360433 573184578 /nfs/dbraw/zinc/18/45/78/573184578.db2.gz FUVUIDRTGJUWRM-QMMMGPOBSA-N 0 0 181.235 1.517 10 0 ADAERN CC1(NC(=O)NCCCCF)CC1 308295886 573184583 /nfs/dbraw/zinc/18/45/83/573184583.db2.gz JXPHHAKEGBRORY-UHFFFAOYSA-N 0 0 188.246 1.588 10 0 ADAERN C[C@H](CO)Cc1cccnc1 82764673 573184623 /nfs/dbraw/zinc/18/46/23/573184623.db2.gz LOZOUOOHQWUFAP-QMMMGPOBSA-N 0 0 151.209 1.253 10 0 ADAERN CN[C@@H](N)c1cc(Cl)ccc1F 259356504 573184626 /nfs/dbraw/zinc/18/46/26/573184626.db2.gz MCSAXJYOVSKTQJ-MRVPVSSYSA-N 0 0 188.633 1.656 10 0 ADAERN COc1cccnc1[C@@H](C)O 115306973 573184641 /nfs/dbraw/zinc/18/46/41/573184641.db2.gz AYSWSFMPOVHZPA-ZCFIWIBFSA-N 0 0 153.181 1.144 10 0 ADAERN C[C@H](NC1COC1)c1cncc(F)c1 235508533 573184643 /nfs/dbraw/zinc/18/46/43/573184643.db2.gz LJIFQJLROHZOJQ-ZETCQYMHSA-N 0 0 196.225 1.270 10 0 ADAERN CC[C@@H]1C=CC[C@@H](CO)[C@@H]1CO 238300105 573184654 /nfs/dbraw/zinc/18/46/54/573184654.db2.gz DMOASYJKYGZICM-KXUCPTDWSA-N 0 0 170.252 1.190 10 0 ADAERN OCc1cc([C@H]2CCCS2)[nH]n1 259359175 573184661 /nfs/dbraw/zinc/18/46/61/573184661.db2.gz USIYVUJZCFQUPD-MRVPVSSYSA-N 0 0 184.264 1.470 10 0 ADAERN CCc1cccc2c1C(=O)NCCO2 238306076 573184664 /nfs/dbraw/zinc/18/46/64/573184664.db2.gz FSXUCRJSLXCFKE-UHFFFAOYSA-N 0 0 191.230 1.371 10 0 ADAERN CO[C@H](C)CC(=O)OCC[C@@H](C)F 308296091 573184669 /nfs/dbraw/zinc/18/46/69/573184669.db2.gz IDDJSJFLVOPOPN-HTQZYQBOSA-N 0 0 192.230 1.703 10 0 ADAERN CCOCCCOC(=O)CC1CC1 308295553 573184676 /nfs/dbraw/zinc/18/46/76/573184676.db2.gz HXIVYJXJPTVJNL-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN Nc1c(F)cc(CCO)cc1F 115344951 573183813 /nfs/dbraw/zinc/18/38/13/573183813.db2.gz FZZLYOOMBQRBDH-UHFFFAOYSA-N 0 0 173.162 1.082 10 0 ADAERN C=Cc1c[nH]c(C=O)c1 104699108 573200177 /nfs/dbraw/zinc/20/01/77/573200177.db2.gz RAVNTFAOKBBFLI-UHFFFAOYSA-N 0 0 121.139 1.470 10 0 ADAERN C[C@@H](O)Cc1cc(O)c(F)cc1F 257967102 573199353 /nfs/dbraw/zinc/19/93/53/573199353.db2.gz CMUOGYLBDALTRQ-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN CCc1nc2c(=O)cc[nH]c2[nH]1 238309696 573199364 /nfs/dbraw/zinc/19/93/64/573199364.db2.gz ZNTGBWDLJVXGTH-UHFFFAOYSA-N 0 0 163.180 1.226 10 0 ADAERN CC(C)[C@H]1C=CNC(=O)C1 104700927 573199375 /nfs/dbraw/zinc/19/93/75/573199375.db2.gz JFOINNTZXHEWSE-ZETCQYMHSA-N 0 0 139.198 1.292 10 0 ADAERN Cc1nn(C)c2ccc(F)c(N)c12 259370916 573200179 /nfs/dbraw/zinc/20/01/79/573200179.db2.gz JCBQUPKZFVAMKK-UHFFFAOYSA-N 0 0 179.198 1.603 10 0 ADAERN Cc1nc(CN[C@H]2CC=CCC2)no1 235940478 573199396 /nfs/dbraw/zinc/19/93/96/573199396.db2.gz HMHZDCUTCSQBLN-VIFPVBQESA-N 0 0 193.250 1.576 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@H](O)CC1CC1 123814693 573199403 /nfs/dbraw/zinc/19/94/03/573199403.db2.gz LZODYFIOSHOKAA-UJNFCWOMSA-N 0 0 170.252 1.572 10 0 ADAERN CC(=O)C[C@@H](C)n1ccnc1C 82792858 573199464 /nfs/dbraw/zinc/19/94/64/573199464.db2.gz WFYFRZIGTSSXLG-SSDOTTSWSA-N 0 0 166.224 1.732 10 0 ADAERN Cc1cc(F)c2nc[nH]c(=O)c2c1F 235928784 573199474 /nfs/dbraw/zinc/19/94/74/573199474.db2.gz NCFBVTPOLNMEAA-UHFFFAOYSA-N 0 0 196.156 1.510 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1[NH2+]C1CCCCC1 259371237 573200194 /nfs/dbraw/zinc/20/01/94/573200194.db2.gz VFAAASVZZUWQHL-DTWKUNHWSA-N 0 0 183.251 1.382 10 0 ADAERN CC[C@H](O)[C@@H](C)C(=S)N(C)C 238309789 573199502 /nfs/dbraw/zinc/19/95/02/573199502.db2.gz KTBCOVCIKWTRPA-RQJHMYQMSA-N 0 0 175.297 1.282 10 0 ADAERN CC(=O)c1cc(Cl)cn(C)c1=O 257967843 573199544 /nfs/dbraw/zinc/19/95/44/573199544.db2.gz 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ZEJUDLQZXRJWAM-MRVPVSSYSA-N 0 0 166.220 1.878 10 0 ADAERN CC[C@H]1C=CNC(=S)C1 104697839 573200794 /nfs/dbraw/zinc/20/07/94/573200794.db2.gz FEJVWXFTTHOJOC-LURJTMIESA-N 0 0 141.239 1.847 10 0 ADAERN Cc1cc(F)c2c(c1F)C(=O)C(=O)N2 235927947 573200807 /nfs/dbraw/zinc/20/08/07/573200807.db2.gz YRAARCFJNJHAIQ-UHFFFAOYSA-N 0 0 197.140 1.408 10 0 ADAERN CCn1nc(CO)c2c1CC[C@@H]2F 257969252 573200809 /nfs/dbraw/zinc/20/08/09/573200809.db2.gz YIEPIEZGIXQYIB-LURJTMIESA-N 0 0 184.214 1.352 10 0 ADAERN CO[C@H](C)Cc1ccccc1CON 259370864 573200845 /nfs/dbraw/zinc/20/08/45/573200845.db2.gz HIVULVAJSDRCDF-SECBINFHSA-N 0 0 195.262 1.654 10 0 ADAERN Cc1cnc(-c2ccnn2C)c(N)c1 235926195 573200848 /nfs/dbraw/zinc/20/08/48/573200848.db2.gz XIVRRMNBDRMBIH-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(=O)N[C@H](C)C=C(C)C 104699102 573200854 /nfs/dbraw/zinc/20/08/54/573200854.db2.gz KIYLEBTWRICZES-SSDOTTSWSA-N 0 0 141.214 1.477 10 0 ADAERN c1ccn(-c2cnns2)c1 115585922 573200857 /nfs/dbraw/zinc/20/08/57/573200857.db2.gz DGCBMEKZRWMUED-UHFFFAOYSA-N 0 0 151.194 1.329 10 0 ADAERN CC(C)(C)Oc1cnn(CCO)c1 257969218 573200873 /nfs/dbraw/zinc/20/08/73/573200873.db2.gz NSXLCXBLURWAGJ-UHFFFAOYSA-N 0 0 184.239 1.053 10 0 ADAERN COC(=O)C1=C[C@H](CO)C=CCC1 238311673 573200887 /nfs/dbraw/zinc/20/08/87/573200887.db2.gz MPJVIJBJYKGMDU-MRVPVSSYSA-N 0 0 182.219 1.044 10 0 ADAERN CC1(C)CNC(=O)S1 104700532 573200895 /nfs/dbraw/zinc/20/08/95/573200895.db2.gz NFLCFGPQALXXGP-UHFFFAOYSA-N 0 0 131.200 1.221 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@H]([NH3+])c1ccccc1 259370576 573200901 /nfs/dbraw/zinc/20/09/01/573200901.db2.gz MRNLIYVCHNDZGG-KWQFWETISA-N 0 0 193.246 1.797 10 0 ADAERN NOCC[C@H]1CCCS1 258581548 573200941 /nfs/dbraw/zinc/20/09/41/573200941.db2.gz SIZRMVVJXADABE-ZCFIWIBFSA-N 0 0 147.243 1.162 10 0 ADAERN CNc1cc2ccc(O)cc2oc1=O 238311179 573200974 /nfs/dbraw/zinc/20/09/74/573200974.db2.gz JUKMZYXPCBIEFS-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN Cc1ccc(C[C@@H](C)O)cc1N(C)C 259370933 573200975 /nfs/dbraw/zinc/20/09/75/573200975.db2.gz HKEJBYIAKWVFQP-SNVBAGLBSA-N 0 0 193.290 1.984 10 0 ADAERN COc1cc(N)c2c(c1)COCO2 257968238 573200976 /nfs/dbraw/zinc/20/09/76/573200976.db2.gz HXDSKXFIQOJMIJ-UHFFFAOYSA-N 0 0 181.191 1.144 10 0 ADAERN CONCc1ccc(O)c(C)c1C 257968305 573200986 /nfs/dbraw/zinc/20/09/86/573200986.db2.gz HYWKMWXOIKBGSC-UHFFFAOYSA-N 0 0 181.235 1.660 10 0 ADAERN Cc1ccc(C2(CO)COC2)c(C)c1 258582988 573201003 /nfs/dbraw/zinc/20/10/03/573201003.db2.gz MKNMZNPEFUBWPM-UHFFFAOYSA-N 0 0 192.258 1.564 10 0 ADAERN CC(=O)C[C@H](C)Sc1nc[nH]n1 82794029 573201007 /nfs/dbraw/zinc/20/10/07/573201007.db2.gz KDYLSBRPSNNYDR-LURJTMIESA-N 0 0 185.252 1.264 10 0 ADAERN CC[C@H](O)[C@@H]1CCC=CO1 238311666 573201027 /nfs/dbraw/zinc/20/10/27/573201027.db2.gz FQPFJFJGMAGJJI-YUMQZZPRSA-N 0 0 142.198 1.450 10 0 ADAERN Cc1ccnc(-c2nc(O)c[nH]2)c1 235927584 573201035 /nfs/dbraw/zinc/20/10/35/573201035.db2.gz JCHTYZMOFPUJAB-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN CC(=O)C[C@H](C)n1cc(C)cn1 82792876 573201044 /nfs/dbraw/zinc/20/10/44/573201044.db2.gz KDKNNFHVLOOEQT-QMMMGPOBSA-N 0 0 166.224 1.732 10 0 ADAERN Cc1cnnc(NCc2ccon2)c1 235923138 573201045 /nfs/dbraw/zinc/20/10/45/573201045.db2.gz RZVVTGJFAQTRMS-UHFFFAOYSA-N 0 0 190.206 1.385 10 0 ADAERN CC[C@@H]1SC=CNC1=O 104699756 573201046 /nfs/dbraw/zinc/20/10/46/573201046.db2.gz OURKZAJANHRFNX-YFKPBYRVSA-N 0 0 143.211 1.099 10 0 ADAERN OCCCc1ccnc(F)c1 115534468 573201047 /nfs/dbraw/zinc/20/10/47/573201047.db2.gz ACUWVOAVOJFRMY-UHFFFAOYSA-N 0 0 155.172 1.146 10 0 ADAERN O=Cc1nc(C2CC2)n2c1NCCC2 258583127 573202821 /nfs/dbraw/zinc/20/28/21/573202821.db2.gz GZYLYFCYVIGKKH-UHFFFAOYSA-N 0 0 191.234 1.389 10 0 ADAERN C/C=C/COC(=O)[C@@H](CO)C(C)C 308307613 573202830 /nfs/dbraw/zinc/20/28/30/573202830.db2.gz PFKSZMWKGVVMCA-MOVJSRMASA-N 0 0 186.251 1.370 10 0 ADAERN CC[C@H](C)C(=O)C[C@H](C)O 224856847 573202842 /nfs/dbraw/zinc/20/28/42/573202842.db2.gz UKFUYCIQFSPIHX-BQBZGAKWSA-N 0 0 144.214 1.373 10 0 ADAERN C1=CC=C2[NH2+]CCCN2C=C1 104703128 573202857 /nfs/dbraw/zinc/20/28/57/573202857.db2.gz WDGGSJIDDMHRHV-UHFFFAOYSA-N 0 0 148.209 1.207 10 0 ADAERN Cc1nn(C)c(C)c1[C@H](N)C(F)F 85908139 573202858 /nfs/dbraw/zinc/20/28/58/573202858.db2.gz CCBSJBGLLHUFGM-ZETCQYMHSA-N 0 0 189.209 1.302 10 0 ADAERN C[C@H](O)Cc1ccc(CON)cc1 257968123 573202878 /nfs/dbraw/zinc/20/28/78/573202878.db2.gz HUKOOHFULSGOGA-QMMMGPOBSA-N 0 0 181.235 1.000 10 0 ADAERN CC(C)[C@@H]1CC[C@H](C(=O)[O-])[C@@H]1[NH3+] 90755702 573202910 /nfs/dbraw/zinc/20/29/10/573202910.db2.gz KJMFBUFJFBDJHK-BIIVOSGPSA-N 0 0 171.240 1.081 10 0 ADAERN NNc1ccc2[nH]c(C3CC3)nc2c1 258583665 573202917 /nfs/dbraw/zinc/20/29/17/573202917.db2.gz LIQJXXCUIAMTDK-UHFFFAOYSA-N 0 0 188.234 1.726 10 0 ADAERN CC[C@H](CO)c1cccc(O)c1 238311101 573202922 /nfs/dbraw/zinc/20/29/22/573202922.db2.gz GBALFTQDWKWKRE-MRVPVSSYSA-N 0 0 166.220 1.878 10 0 ADAERN CC[C@@H](C)C(=O)C[C@@H](C)O 224856730 573202937 /nfs/dbraw/zinc/20/29/37/573202937.db2.gz UKFUYCIQFSPIHX-RNFRBKRXSA-N 0 0 144.214 1.373 10 0 ADAERN Cc1ccc(C[C@@H](C)O)c(O)c1F 257969108 573202943 /nfs/dbraw/zinc/20/29/43/573202943.db2.gz CRTRHBQQCBCOII-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN CCC[C@H](CC)[N@H+](C)CC(=O)[O-] 233341555 573202958 /nfs/dbraw/zinc/20/29/58/573202958.db2.gz ZGZMXHGOSCUDCY-QMMMGPOBSA-N 0 0 173.256 1.582 10 0 ADAERN CSC[C@@H](C)N(C)Cc1ncc[nH]1 308306912 573202959 /nfs/dbraw/zinc/20/29/59/573202959.db2.gz OLFFTJTYXDZUHZ-MRVPVSSYSA-N 0 0 199.323 1.593 10 0 ADAERN CCc1nc2cc(F)nn2c(N)c1C 238310913 573202995 /nfs/dbraw/zinc/20/29/95/573202995.db2.gz GJLSXFFBAINOBY-UHFFFAOYSA-N 0 0 194.213 1.321 10 0 ADAERN Cc1ccn(Cc2cncc(F)c2)n1 235945124 573203008 /nfs/dbraw/zinc/20/30/08/573203008.db2.gz HWVBMYRIJULUBP-UHFFFAOYSA-N 0 0 191.209 1.774 10 0 ADAERN Cc1cccc2c1NC(=N)CO2 259603446 573203014 /nfs/dbraw/zinc/20/30/14/573203014.db2.gz DFOALAPOKUUTPC-UHFFFAOYSA-N 0 0 162.192 1.376 10 0 ADAERN CO[C@@H](C)Cc1ccccc1CON 259370865 573203016 /nfs/dbraw/zinc/20/30/16/573203016.db2.gz HIVULVAJSDRCDF-VIFPVBQESA-N 0 0 195.262 1.654 10 0 ADAERN Cc1cncc([C@H](O)[C@H](O)C2CC2)c1 235929134 573203018 /nfs/dbraw/zinc/20/30/18/573203018.db2.gz NFVUEYSHEPSQFM-MNOVXSKESA-N 0 0 193.246 1.194 10 0 ADAERN C[C@H]1CCCc2c[nH]c(=O)n21 258484279 573203030 /nfs/dbraw/zinc/20/30/30/573203030.db2.gz JMZPNZKQIJZGKB-LURJTMIESA-N 0 0 152.197 1.486 10 0 ADAERN OCCc1ccccc1N1C=NCC1 257968969 573203035 /nfs/dbraw/zinc/20/30/35/573203035.db2.gz CPIATPLMTHIHPB-UHFFFAOYSA-N 0 0 190.246 1.070 10 0 ADAERN O=C([O-])[C@H]1C[C@@H]1[NH2+]C1CCCCC1 259371239 573203050 /nfs/dbraw/zinc/20/30/50/573203050.db2.gz VFAAASVZZUWQHL-IUCAKERBSA-N 0 0 183.251 1.382 10 0 ADAERN Cc1cccc(N[C@H]2CCOC2)c1N 235930070 573203065 /nfs/dbraw/zinc/20/30/65/573203065.db2.gz UDRJZKWTKQPDOS-VIFPVBQESA-N 0 0 192.262 1.778 10 0 ADAERN OCCCc1ccc2c(c1)NCC2 257969353 573203095 /nfs/dbraw/zinc/20/30/95/573203095.db2.gz YKSQXKBDXVOSQZ-UHFFFAOYSA-N 0 0 177.247 1.580 10 0 ADAERN CC(=O)C[C@@H](C)c1cnccn1 82806925 573203108 /nfs/dbraw/zinc/20/31/08/573203108.db2.gz XWPULMAQAWTXRD-SSDOTTSWSA-N 0 0 164.208 1.559 10 0 ADAERN CNC1=NSN=S=NS1 238314116 573203127 /nfs/dbraw/zinc/20/31/27/573203127.db2.gz AEFDMBWCRSFKGT-UHFFFAOYSA-N 0 0 180.283 1.237 10 0 ADAERN CO[C@H](C)Cc1ncc(C=O)s1 129043769 573203139 /nfs/dbraw/zinc/20/31/39/573203139.db2.gz NIVYYKFTRPOQGI-ZCFIWIBFSA-N 0 0 185.248 1.533 10 0 ADAERN O=C([O-])c1cnc(C[NH2+]C2CCC2)o1 257969695 573203172 /nfs/dbraw/zinc/20/31/72/573203172.db2.gz ZPPDIRJMPPKHPJ-UHFFFAOYSA-N 0 0 196.206 1.015 10 0 ADAERN COc1cccc(CNO)c1C 257968255 573203214 /nfs/dbraw/zinc/20/32/14/573203214.db2.gz HXVAQTQJHSDPJB-UHFFFAOYSA-N 0 0 167.208 1.482 10 0 ADAERN CC(C)=C[C@@H]1CNC(=O)C1 104701560 573203218 /nfs/dbraw/zinc/20/32/18/573203218.db2.gz PNYUIEDLSBPYHS-ZETCQYMHSA-N 0 0 139.198 1.089 10 0 ADAERN CC(C)(C)[C@H](F)C[C@@H]([NH3+])C(=O)[O-] 257967935 573203227 /nfs/dbraw/zinc/20/32/27/573203227.db2.gz YHHZGLKOQDIQPT-PHDIDXHHSA-N 0 0 177.219 1.173 10 0 ADAERN S=C1CSCCCN1 104702954 573203262 /nfs/dbraw/zinc/20/32/62/573203262.db2.gz OKRZTLFRADRWTI-UHFFFAOYSA-N 0 0 147.268 1.040 10 0 ADAERN Nc1cc(-c2ccccc2)nnc1N 259371009 573203268 /nfs/dbraw/zinc/20/32/68/573203268.db2.gz HLMPMEUHAMFHSM-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN CNOc1ccccc1F 257969182 573203283 /nfs/dbraw/zinc/20/32/83/573203283.db2.gz NSOQHLIKVUXFJV-UHFFFAOYSA-N 0 0 141.145 1.339 10 0 ADAERN Cc1cnnc(-n2ccc(C)n2)c1 235928385 573203318 /nfs/dbraw/zinc/20/33/18/573203318.db2.gz LXMMJENPIUXPSM-UHFFFAOYSA-N 0 0 174.207 1.279 10 0 ADAERN C/C=C\COC(=O)[C@H](CO)C(C)C 308307616 573203339 /nfs/dbraw/zinc/20/33/39/573203339.db2.gz PFKSZMWKGVVMCA-XRVBUDJMSA-N 0 0 186.251 1.370 10 0 ADAERN O=C([O-])[C@@H]1C[C@H]1[NH2+]C1CCCCC1 259371240 573203365 /nfs/dbraw/zinc/20/33/65/573203365.db2.gz VFAAASVZZUWQHL-RKDXNWHRSA-N 0 0 183.251 1.382 10 0 ADAERN C[C@@H]1CCCc2c[nH]c(=O)n21 258484280 573203367 /nfs/dbraw/zinc/20/33/67/573203367.db2.gz JMZPNZKQIJZGKB-ZCFIWIBFSA-N 0 0 152.197 1.486 10 0 ADAERN Cc1cncc(-c2cc[nH]c(=O)n2)c1 235930648 573203439 /nfs/dbraw/zinc/20/34/39/573203439.db2.gz FHYPYUMIXHMOOJ-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CSCc1scnc1N 257969442 573203487 /nfs/dbraw/zinc/20/34/87/573203487.db2.gz VMXIBRHCBBCLPJ-UHFFFAOYSA-N 0 0 160.267 1.588 10 0 ADAERN NOCCc1ccc2ccoc2c1 257968103 573203494 /nfs/dbraw/zinc/20/34/94/573203494.db2.gz HUAWKDHMKQTTFV-UHFFFAOYSA-N 0 0 177.203 1.866 10 0 ADAERN Cc1c(O)ccc(CC2(O)CC2)c1O 257969113 573203508 /nfs/dbraw/zinc/20/35/08/573203508.db2.gz CRUGZSAZBLPOEI-UHFFFAOYSA-N 0 0 194.230 1.474 10 0 ADAERN CO[C@@H]1OC(=N)c2ccccc21 197182042 573203510 /nfs/dbraw/zinc/20/35/10/573203510.db2.gz YZLPEDQIOHLZEQ-SECBINFHSA-N 0 0 163.176 1.687 10 0 ADAERN Cc1nn(C)c(C)c1[C@@H](N)C(F)F 85908140 573203527 /nfs/dbraw/zinc/20/35/27/573203527.db2.gz CCBSJBGLLHUFGM-SSDOTTSWSA-N 0 0 189.209 1.302 10 0 ADAERN C/C=C/C(=O)NCC1CC1 85908005 573203542 /nfs/dbraw/zinc/20/35/42/573203542.db2.gz RPOJIZYYJQJMJR-NSCUHMNNSA-N 0 0 139.198 1.089 10 0 ADAERN COc1cc2c(C)noc2cc1N 259370918 573203554 /nfs/dbraw/zinc/20/35/54/573203554.db2.gz JCBZRAVTWPUUCN-UHFFFAOYSA-N 0 0 178.191 1.727 10 0 ADAERN OC[C@@H](O)CCc1cccc(F)c1 257969346 573203555 /nfs/dbraw/zinc/20/35/55/573203555.db2.gz YKMURRNGVCRJCN-JTQLQIEISA-N 0 0 184.210 1.112 10 0 ADAERN CCCC1(C2(CO)CC2)COC1 258485116 573203565 /nfs/dbraw/zinc/20/35/65/573203565.db2.gz CIOJYWCDXMJCJA-UHFFFAOYSA-N 0 0 170.252 1.576 10 0 ADAERN CC(=O)C[C@@H](C)c1cnn(C)c1 82807269 573205262 /nfs/dbraw/zinc/20/52/62/573205262.db2.gz MKWZPFJDGVTGFC-SSDOTTSWSA-N 0 0 166.224 1.503 10 0 ADAERN CCOC(=O)N[C@@]1(CC)CCOC1 388686273 573205264 /nfs/dbraw/zinc/20/52/64/573205264.db2.gz JURWBKSNNHNBJY-VIFPVBQESA-N 0 0 187.239 1.302 10 0 ADAERN O=C([O-])/C=C/[NH+]1CCCCC1 115559839 573205270 /nfs/dbraw/zinc/20/52/70/573205270.db2.gz OEANIBRCPRAAKC-QPJJXVBHSA-N 0 0 155.197 1.071 10 0 ADAERN C[C@H](CC(=O)[O-])[C@H]([NH3+])c1ccccc1 259370575 573205296 /nfs/dbraw/zinc/20/52/96/573205296.db2.gz MRNLIYVCHNDZGG-KCJUWKMLSA-N 0 0 193.246 1.797 10 0 ADAERN O=C1C[C@@H]2C(=O)CCC[C@@H]2C1 222751157 573205309 /nfs/dbraw/zinc/20/53/09/573205309.db2.gz STWNYXYLPWRILT-SVRRBLITSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1ncc([C@H](O)[C@@H]2CCOC2)s1 235960782 573205315 /nfs/dbraw/zinc/20/53/15/573205315.db2.gz ICQDOEWUYIYTEY-VXNVDRBHSA-N 0 0 199.275 1.521 10 0 ADAERN Cc1cc2ncnc(Cl)c2[nH]1 125874091 573205353 /nfs/dbraw/zinc/20/53/53/573205353.db2.gz SBZJPLOFZJJPGR-UHFFFAOYSA-N 0 0 167.599 1.871 10 0 ADAERN CC1=C(C)C[C@H](O)OC1 222898044 573205368 /nfs/dbraw/zinc/20/53/68/573205368.db2.gz DZYAEEQLBIXMMW-SSDOTTSWSA-N 0 0 128.171 1.062 10 0 ADAERN CC1=CC(=S)N[C@H](C)C1 104704212 573205372 /nfs/dbraw/zinc/20/53/72/573205372.db2.gz PIXFFQZOBBJPRB-ZCFIWIBFSA-N 0 0 141.239 1.642 10 0 ADAERN COc1cc(N)cc2c1c(C)nn2C 259367709 573205374 /nfs/dbraw/zinc/20/53/74/573205374.db2.gz IYGSTGXKMFTGGO-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN Cc1ncc([C@H](O)C2=CCCO2)s1 235959603 573205387 /nfs/dbraw/zinc/20/53/87/573205387.db2.gz LHNHKRNQHBVODK-SECBINFHSA-N 0 0 197.259 1.789 10 0 ADAERN CC(=S)N[C@@H]1C=CCC1 104704009 573205392 /nfs/dbraw/zinc/20/53/92/573205392.db2.gz JLJVNYGVWSVWJV-SSDOTTSWSA-N 0 0 141.239 1.642 10 0 ADAERN Nc1cc(Cc2cccc(O)c2)[nH]n1 259370520 573205402 /nfs/dbraw/zinc/20/54/02/573205402.db2.gz VLJCIMUPLGYXNF-UHFFFAOYSA-N 0 0 189.218 1.288 10 0 ADAERN c1cn(Cc2nc3cc[nH]cc-3n2)cn1 308851900 573205433 /nfs/dbraw/zinc/20/54/33/573205433.db2.gz MYOHAWFNTXLEGR-UHFFFAOYSA-N 0 0 199.217 1.203 10 0 ADAERN Nc1cc(-c2ccc(O)cc2O)[nH]n1 257964770 573206002 /nfs/dbraw/zinc/20/60/02/573206002.db2.gz CAXIJZHETAZXHM-UHFFFAOYSA-N 0 0 191.190 1.070 10 0 ADAERN Cc1nc(-c2ccco2)c(=O)[nH]c1C 235957444 573205441 /nfs/dbraw/zinc/20/54/41/573205441.db2.gz GPJYDGOQCWGFEZ-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN OCC1(c2ccc(CNO)cc2)CC1 259367961 573205444 /nfs/dbraw/zinc/20/54/44/573205444.db2.gz HEMNCKCQMGXOFL-UHFFFAOYSA-N 0 0 193.246 1.189 10 0 ADAERN C[C@@]1(C2CCCC2)[NH2+]CC[C@H]1C(=O)[O-] 107187798 573205445 /nfs/dbraw/zinc/20/54/45/573205445.db2.gz WJKHCEUVOPTULE-ONGXEEELSA-N 0 0 197.278 1.629 10 0 ADAERN Cc1nc(-c2ocnc2CO)cs1 235963192 573205450 /nfs/dbraw/zinc/20/54/50/573205450.db2.gz OLXDGLSRSMRVEP-UHFFFAOYSA-N 0 0 196.231 1.599 10 0 ADAERN C/C=C/C(=O)N1CCO[C@@H](CC)C1 85908011 573205454 /nfs/dbraw/zinc/20/54/54/573205454.db2.gz HZWBRSJQDROILZ-SGRBOOSSSA-N 0 0 183.251 1.200 10 0 ADAERN Cc1nc(-c2ccc[nH]2)c(=O)[nH]c1C 235953541 573205458 /nfs/dbraw/zinc/20/54/58/573205458.db2.gz WRQBWCDZLNSGAA-UHFFFAOYSA-N 0 0 189.218 1.382 10 0 ADAERN C[NH+](C)[C@H](C(C)(C)C)C1(C(=O)[O-])CC1 259369981 573205471 /nfs/dbraw/zinc/20/54/71/573205471.db2.gz GDFXRLGUJRVQFM-MRVPVSSYSA-N 0 0 199.294 1.828 10 0 ADAERN CC(C)[C@@H]1CCCO[C@@H]1O 90766411 573205487 /nfs/dbraw/zinc/20/54/87/573205487.db2.gz DSEUPFIUQUYRGM-YUMQZZPRSA-N 0 0 144.214 1.387 10 0 ADAERN Cc1nc(-c2ccoc2)c(=O)[nH]c1C 235958932 573205500 /nfs/dbraw/zinc/20/55/00/573205500.db2.gz WQKPHQVBGSCFFZ-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN CC[C@H]([NH3+])c1cc(N)ccc1C(=O)[O-] 238313549 573205508 /nfs/dbraw/zinc/20/55/08/573205508.db2.gz VFVGMXQDPOYBFW-VIFPVBQESA-N 0 0 194.234 1.377 10 0 ADAERN Cc1nnc(CN[C@H]2CC2(C)C)o1 235953354 573205509 /nfs/dbraw/zinc/20/55/09/573205509.db2.gz IARDIWAKUCZEDM-ZETCQYMHSA-N 0 0 181.239 1.266 10 0 ADAERN CO[C@@H](CO)Cc1cccc(F)c1 257965479 573205516 /nfs/dbraw/zinc/20/55/16/573205516.db2.gz XXXLAFGMEDZFEE-SNVBAGLBSA-N 0 0 184.210 1.376 10 0 ADAERN CNc1nccc(NC2CC(C)C2)n1 123840938 573205519 /nfs/dbraw/zinc/20/55/19/573205519.db2.gz BMNHVGZVWATKIH-UHFFFAOYSA-N 0 0 192.266 1.729 10 0 ADAERN CC1CCC2(CC1)[NH2+]CC[C@H]2C(=O)[O-] 107187812 573205524 /nfs/dbraw/zinc/20/55/24/573205524.db2.gz YQCLXRJRHQJIBR-YUCVTWSNSA-N 0 0 197.278 1.629 10 0 ADAERN CN(C)C(=O)[C@H]1CC(C)(C)[C@]1(C)CO 238312226 573205565 /nfs/dbraw/zinc/20/55/65/573205565.db2.gz PFBHPBYCKXXFCN-LDYMZIIASA-N 0 0 199.294 1.119 10 0 ADAERN O=C([O-])C[C@@H]1CC[NH2+][C@@H]1C1CCCC1 107187785 573205567 /nfs/dbraw/zinc/20/55/67/573205567.db2.gz CUICZDSJXBYOHV-GXSJLCMTSA-N 0 0 197.278 1.629 10 0 ADAERN CC(=O)C[C@@H](C)c1cccnc1N 82806953 573205572 /nfs/dbraw/zinc/20/55/72/573205572.db2.gz DRQDQZXYSGGYLW-SSDOTTSWSA-N 0 0 178.235 1.746 10 0 ADAERN CC[C@]1(OCCO)C[C@H]1C 238312907 573205584 /nfs/dbraw/zinc/20/55/84/573205584.db2.gz BNKUWYOQSSCKTH-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1cc(CNO)cc(N)c1C 259370899 573205587 /nfs/dbraw/zinc/20/55/87/573205587.db2.gz HJGRYTCBVKQNQD-UHFFFAOYSA-N 0 0 166.224 1.364 10 0 ADAERN NOCc1ccc([C@H]2CCOC2)cc1 257965081 573205588 /nfs/dbraw/zinc/20/55/88/573205588.db2.gz CFNQGXHPUKNXTK-NSHDSACASA-N 0 0 193.246 1.581 10 0 ADAERN NOCc1ccc([C@@H]2CCOC2)cc1 257965078 573205601 /nfs/dbraw/zinc/20/56/01/573205601.db2.gz CFNQGXHPUKNXTK-LLVKDONJSA-N 0 0 193.246 1.581 10 0 ADAERN Cc1noc(N)c1[C@@H]1CCCCO1 257963864 573206026 /nfs/dbraw/zinc/20/60/26/573206026.db2.gz XRZMLRJYGCYIHL-ZETCQYMHSA-N 0 0 182.223 1.807 10 0 ADAERN CC1=C(C)C[C@@H](O)OC1 222897974 573205612 /nfs/dbraw/zinc/20/56/12/573205612.db2.gz DZYAEEQLBIXMMW-ZETCQYMHSA-N 0 0 128.171 1.062 10 0 ADAERN CCc1nn(C(C)C)c(OC)c1CO 257964498 573205615 /nfs/dbraw/zinc/20/56/15/573205615.db2.gz NLNQEXWSTLICME-UHFFFAOYSA-N 0 0 198.266 1.527 10 0 ADAERN COc1cc(CO)cc2cccnc12 115596011 573205633 /nfs/dbraw/zinc/20/56/33/573205633.db2.gz NTNPLHZEABLDFW-UHFFFAOYSA-N 0 0 189.214 1.736 10 0 ADAERN CCc1nc2nc[nH]c(=O)c2cc1C 238312972 573205653 /nfs/dbraw/zinc/20/56/53/573205653.db2.gz QYLYBXYXNOXBPS-UHFFFAOYSA-N 0 0 189.218 1.189 10 0 ADAERN CC(C)(O)c1ccc(F)c(CO)c1 257964775 573205655 /nfs/dbraw/zinc/20/56/55/573205655.db2.gz CAXZJOKRCCFBJK-UHFFFAOYSA-N 0 0 184.210 1.545 10 0 ADAERN C[C@H](O)C1(Cc2ccccn2)CC1 235530226 573205659 /nfs/dbraw/zinc/20/56/59/573205659.db2.gz ODCSIZREIYJFGW-VIFPVBQESA-N 0 0 177.247 1.785 10 0 ADAERN CC(=O)C[C@H](C)C(=O)C1CC1 82805544 573205669 /nfs/dbraw/zinc/20/56/69/573205669.db2.gz ZSFVWUZCAXNYKS-LURJTMIESA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H](O)[C@@H](F)[C@H]1CCCSC1 257965444 573205673 /nfs/dbraw/zinc/20/56/73/573205673.db2.gz XWZSMQREMFFCIM-BIIVOSGPSA-N 0 0 178.272 1.849 10 0 ADAERN CC[S@](=O)[C@H](C)CC(C)=O 82800350 573205690 /nfs/dbraw/zinc/20/56/90/573205690.db2.gz BNBGCJDGIGHXRW-GMSGAONNSA-N 0 0 162.254 1.123 10 0 ADAERN Nc1cc(-c2cc(O)ccc2F)[nH]n1 257964967 573205706 /nfs/dbraw/zinc/20/57/06/573205706.db2.gz CDCZXBXKASDWPU-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)OCCCF 308310319 573205709 /nfs/dbraw/zinc/20/57/09/573205709.db2.gz QWXANNZGDWREIA-HTQZYQBOSA-N 0 0 190.214 1.314 10 0 ADAERN O=Cc1cnn2c1CCCCC2 258484240 573205727 /nfs/dbraw/zinc/20/57/27/573205727.db2.gz JKZZAVOGPAXSCD-UHFFFAOYSA-N 0 0 164.208 1.422 10 0 ADAERN CCOC(=O)[C@H](NC)[C@@]1(C)C[C@@H]1C 714647148 573206046 /nfs/dbraw/zinc/20/60/46/573206046.db2.gz SFXZGOUSSGOLAK-NRPADANISA-N 0 0 185.267 1.184 10 0 ADAERN CC[C@]1(O)CCC[C@]12CCCNC2=O 238312223 573205755 /nfs/dbraw/zinc/20/57/55/573205755.db2.gz GHGKGOCJRFZKNV-MNOVXSKESA-N 0 0 197.278 1.208 10 0 ADAERN C/C=C\COC(=O)c1n[nH]cc1C 308308187 573205765 /nfs/dbraw/zinc/20/57/65/573205765.db2.gz PKXKUXQIEKPARV-ARJAWSKDSA-N 0 0 180.207 1.451 10 0 ADAERN CCc1nc(C=O)oc1C 258583937 573205779 /nfs/dbraw/zinc/20/57/79/573205779.db2.gz SQGFDPROSDVLSC-UHFFFAOYSA-N 0 0 139.154 1.358 10 0 ADAERN OCC1CC(c2ccccc2O)C1 257970598 573205785 /nfs/dbraw/zinc/20/57/85/573205785.db2.gz YPQGZSRSOBGUPB-UHFFFAOYSA-N 0 0 178.231 1.878 10 0 ADAERN C[NH2+][C@@H](C)c1cc(C(=O)[O-])n(C)c1 257963982 573205795 /nfs/dbraw/zinc/20/57/95/573205795.db2.gz XTZUGKHPATXTKJ-LURJTMIESA-N 0 0 182.223 1.004 10 0 ADAERN C/C=C(\CC)C(=O)Nn1cccc1 308310309 573205800 /nfs/dbraw/zinc/20/58/00/573205800.db2.gz QWRGNVOVICRARL-YCRREMRBSA-N 0 0 178.235 1.915 10 0 ADAERN C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(=O)[O-])C1 715257704 573205801 /nfs/dbraw/zinc/20/58/01/573205801.db2.gz UCDSSDUESSXKLO-XFWSIPNHSA-N 0 0 197.278 1.485 10 0 ADAERN CCc1nc2c(Cl)nc(C)nc2[nH]1 238312827 573205804 /nfs/dbraw/zinc/20/58/04/573205804.db2.gz DFQGGNNMYYRKEG-UHFFFAOYSA-N 0 0 196.641 1.829 10 0 ADAERN C[C@@H]1SC[C@@H]([C@H](C)O)S[C@@H]1C 235527828 573205808 /nfs/dbraw/zinc/20/58/08/573205808.db2.gz KEOUENMYJCIALI-HSNKUXOKSA-N 0 0 192.349 1.993 10 0 ADAERN CC(=O)C[C@@H](C)[S@](=O)C(C)C 82800407 573205809 /nfs/dbraw/zinc/20/58/09/573205809.db2.gz GPJRUTGBDPSZSF-KCJUWKMLSA-N 0 0 176.281 1.511 10 0 ADAERN CC1(COC(=O)c2cnsn2)CC1 308308214 573205832 /nfs/dbraw/zinc/20/58/32/573205832.db2.gz PMDTWSYFSNMQCN-UHFFFAOYSA-N 0 0 198.247 1.495 10 0 ADAERN CCCC[C@@H](O)C(F)(F)C(=O)OC 238794103 573205835 /nfs/dbraw/zinc/20/58/35/573205835.db2.gz RXYSXWZIVUVOFJ-ZCFIWIBFSA-N 0 0 196.193 1.346 10 0 ADAERN Cc1ncc([C@@H](NN)C2CCC2)s1 235950926 573205838 /nfs/dbraw/zinc/20/58/38/573205838.db2.gz JGBAETJBBHLZJN-VIFPVBQESA-N 0 0 197.307 1.756 10 0 ADAERN CC(=O)C[C@@H](C)[S@@](=O)C(C)C 82800408 573205843 /nfs/dbraw/zinc/20/58/43/573205843.db2.gz GPJRUTGBDPSZSF-LDYMZIIASA-N 0 0 176.281 1.511 10 0 ADAERN CCc1cc2c(cc1O)OCC2 238312778 573205857 /nfs/dbraw/zinc/20/58/57/573205857.db2.gz SCQZVFMCBNFVTI-UHFFFAOYSA-N 0 0 164.204 1.890 10 0 ADAERN O=Cc1ccc(F)cc1CCCO 257964909 573206051 /nfs/dbraw/zinc/20/60/51/573206051.db2.gz CCKBUOBORXMRSD-UHFFFAOYSA-N 0 0 182.194 1.563 10 0 ADAERN CO[C@H](CO)Cc1cccc(F)c1 257965478 573206054 /nfs/dbraw/zinc/20/60/54/573206054.db2.gz XXXLAFGMEDZFEE-JTQLQIEISA-N 0 0 184.210 1.376 10 0 ADAERN Cc1c(N)ncnc1NCC1(C)CC1 235736246 573205865 /nfs/dbraw/zinc/20/58/65/573205865.db2.gz UUWBVIQNENHLRW-UHFFFAOYSA-N 0 0 192.266 1.579 10 0 ADAERN Cc1cncc(-c2ncc[nH]c2=O)c1 235932173 573205870 /nfs/dbraw/zinc/20/58/70/573205870.db2.gz DARBBJSJICGNAO-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN O=C([O-])[C@H]1CC[NH2+]C12CCCCCC2 107187810 573205881 /nfs/dbraw/zinc/20/58/81/573205881.db2.gz HRGJFKCQZWYFPU-SECBINFHSA-N 0 0 197.278 1.774 10 0 ADAERN CCc1nc2nc(=S)[nH]cc2[nH]1 238312621 573205886 /nfs/dbraw/zinc/20/58/86/573205886.db2.gz FMFGHKLXWTVVIH-UHFFFAOYSA-N 0 0 180.236 1.578 10 0 ADAERN CC[C@@H](C)[C@@H](OC)C(=O)OC1CC1 308310693 573205895 /nfs/dbraw/zinc/20/58/95/573205895.db2.gz REFLVKFPYZJFEG-VXNVDRBHSA-N 0 0 186.251 1.753 10 0 ADAERN C[C@H]1Nc2ccsc2NC1=O 82320819 573205915 /nfs/dbraw/zinc/20/59/15/573205915.db2.gz RVWXGNIWJILQAD-SCSAIBSYSA-N 0 0 168.221 1.501 10 0 ADAERN Cc1nnc(CN[C@@H]2CC2(C)C)o1 235952936 573205917 /nfs/dbraw/zinc/20/59/17/573205917.db2.gz IARDIWAKUCZEDM-SSDOTTSWSA-N 0 0 181.239 1.266 10 0 ADAERN CC[C@]1(O)CC[C@H](C)C1=O 238312319 573205919 /nfs/dbraw/zinc/20/59/19/573205919.db2.gz PUXQKFHANVYAPX-XPUUQOCRSA-N 0 0 142.198 1.127 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])C12CCCCC2 107187756 573205925 /nfs/dbraw/zinc/20/59/25/573205925.db2.gz VIDZNMHWYDXGJP-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CC(=O)C[C@H](C)S(=O)(=O)C(C)C 82800213 573205929 /nfs/dbraw/zinc/20/59/29/573205929.db2.gz FNWLRXGWHUEWON-QMMMGPOBSA-N 0 0 192.280 1.177 10 0 ADAERN CC1(C)Cc2c1cc[nH]c2=O 104707112 573205968 /nfs/dbraw/zinc/20/59/68/573205968.db2.gz WVDWOYYHZCQXLY-UHFFFAOYSA-N 0 0 149.193 1.209 10 0 ADAERN C[C@H](O)C1(Cc2cccnc2)CC1 235530234 573205996 /nfs/dbraw/zinc/20/59/96/573205996.db2.gz YWLFUYRNKKEEGH-VIFPVBQESA-N 0 0 177.247 1.785 10 0 ADAERN Cc1nc(-c2ccoc2)c(C)c(=O)[nH]1 235958950 573205259 /nfs/dbraw/zinc/20/52/59/573205259.db2.gz VLMBOOYVPXFGOC-UHFFFAOYSA-N 0 0 190.202 1.647 10 0 ADAERN Cc1ncc(-c2nncn2C)s1 235962730 573209349 /nfs/dbraw/zinc/20/93/49/573209349.db2.gz WKWYYKBWCQGSIW-UHFFFAOYSA-N 0 0 180.236 1.247 10 0 ADAERN CC[C@H]1CNC(=O)C[C@H](C)C1 238312413 573208545 /nfs/dbraw/zinc/20/85/45/573208545.db2.gz WXMGBAYSPUGCLC-HTQZYQBOSA-N 0 0 155.241 1.559 10 0 ADAERN CN(CCC(N)=O)c1ccccc1F 50006768 573208563 /nfs/dbraw/zinc/20/85/63/573208563.db2.gz NSHLGIPRUXNEBG-UHFFFAOYSA-N 0 0 196.225 1.137 10 0 ADAERN COC[C@H](C)O[C@H](C)C[C@H](C)O 82815628 573208566 /nfs/dbraw/zinc/20/85/66/573208566.db2.gz WJMLZITZZBYPBA-YIZRAAEISA-N 0 0 176.256 1.197 10 0 ADAERN COC(=O)NCC12CC3C[C@H]1[C@H]2C3 238312292 573208577 /nfs/dbraw/zinc/20/85/77/573208577.db2.gz ORDSZORWFFBIHH-VZCHMASFSA-N 0 0 181.235 1.389 10 0 ADAERN C[C@H](O)C[C@@H](C)C1CC1 82811672 573208582 /nfs/dbraw/zinc/20/85/82/573208582.db2.gz OLKLDSFJQOSNLU-RQJHMYQMSA-N 0 0 128.215 1.803 10 0 ADAERN CCSCc1scnc1N 257965720 573208583 /nfs/dbraw/zinc/20/85/83/573208583.db2.gz UZWXWXPYAOZFBS-UHFFFAOYSA-N 0 0 174.294 1.978 10 0 ADAERN OCc1ncoc1-c1ccccc1F 85942662 573208586 /nfs/dbraw/zinc/20/85/86/573208586.db2.gz PYXIHKXSIKSYNY-UHFFFAOYSA-N 0 0 193.177 1.973 10 0 ADAERN CCN1CC=CC=NC1=O 104707105 573208597 /nfs/dbraw/zinc/20/85/97/573208597.db2.gz YEVDTYDLICVWQQ-UHFFFAOYSA-N 0 0 138.170 1.059 10 0 ADAERN Cc1cc(C)n([C@H](C)C[C@@H](C)O)n1 82815306 573208600 /nfs/dbraw/zinc/20/86/00/573208600.db2.gz KGZHYCAMYCEZOW-NXEZZACHSA-N 0 0 182.267 1.832 10 0 ADAERN NNCNc1csc2ccccc12 259036367 573208615 /nfs/dbraw/zinc/20/86/15/573208615.db2.gz INORYZOQBLGRMY-UHFFFAOYSA-N 0 0 193.275 1.734 10 0 ADAERN CC[C@@H](C[C@H](C)C(=O)[O-])[NH+](C)C 259375544 573208630 /nfs/dbraw/zinc/20/86/30/573208630.db2.gz GJGMVRNWWSPDCO-YUMQZZPRSA-N 0 0 173.256 1.437 10 0 ADAERN CC[C@H](O)[C@@]1(O)CCSC(C)=N1 238312531 573208654 /nfs/dbraw/zinc/20/86/54/573208654.db2.gz JTAXJLMPNIBTTA-YUMQZZPRSA-N 0 0 189.280 1.001 10 0 ADAERN C[C@H](O)[C@H](F)[C@@H]1CCCSC1 257965447 573208677 /nfs/dbraw/zinc/20/86/77/573208677.db2.gz XWZSMQREMFFCIM-RNJXMRFFSA-N 0 0 178.272 1.849 10 0 ADAERN COC(=O)[C@]1(CC(C)C)CCCCN1 258252148 573208679 /nfs/dbraw/zinc/20/86/79/573208679.db2.gz SYXANXYIELUGGM-LLVKDONJSA-N 0 0 199.294 1.718 10 0 ADAERN Cc1cccc(SCC(N)=O)c1N 85937113 573208680 /nfs/dbraw/zinc/20/86/80/573208680.db2.gz POWQEJHMFBEFRZ-UHFFFAOYSA-N 0 0 196.275 1.155 10 0 ADAERN O=Cc1cc(N2CCCC2)ccc1O 257964896 573208684 /nfs/dbraw/zinc/20/86/84/573208684.db2.gz HLLLDXQQOVQZIG-UHFFFAOYSA-N 0 0 191.230 1.805 10 0 ADAERN CC[C@H](O)[C@H]1C(=O)CCC[C@@H]1C 238312169 573208693 /nfs/dbraw/zinc/20/86/93/573208693.db2.gz ROFLVCKWCKRURX-NRPADANISA-N 0 0 170.252 1.763 10 0 ADAERN 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CC[C@]1(O)CCC[C@@]12CCCNC2=O 238312206 573208739 /nfs/dbraw/zinc/20/87/39/573208739.db2.gz GHGKGOCJRFZKNV-QWRGUYRKSA-N 0 0 197.278 1.208 10 0 ADAERN Nc1ccc(SCCO)cc1F 85935729 573208762 /nfs/dbraw/zinc/20/87/62/573208762.db2.gz DLOJZNYGSNPDTA-UHFFFAOYSA-N 0 0 187.239 1.492 10 0 ADAERN Cc1c(N)cccc1SCC(N)=O 85934296 573208769 /nfs/dbraw/zinc/20/87/69/573208769.db2.gz FTATVVXNZUKLKE-UHFFFAOYSA-N 0 0 196.275 1.155 10 0 ADAERN C[C@H](O)c1ccccc1C1COC1 257964720 573208772 /nfs/dbraw/zinc/20/87/72/573208772.db2.gz HJPYHRWWDBYDRG-QMMMGPOBSA-N 0 0 178.231 1.854 10 0 ADAERN Nc1cccc2c1CCC[C@@H]2CO 257970606 573208779 /nfs/dbraw/zinc/20/87/79/573208779.db2.gz YPRZKZLYTVJAKN-MRVPVSSYSA-N 0 0 177.247 1.681 10 0 ADAERN COCc1ccccc1/C=C\CO 211910516 573208791 /nfs/dbraw/zinc/20/87/91/573208791.db2.gz OZZARUJDQBHMRM-DAXSKMNVSA-N 0 0 178.231 1.839 10 0 ADAERN CO[C@@H]1COc2ccc(O)cc2C1 257963981 573208792 /nfs/dbraw/zinc/20/87/92/573208792.db2.gz XTYSXVZNUDAALK-VIFPVBQESA-N 0 0 180.203 1.342 10 0 ADAERN C[C@H]1C[C@H]1c1ocnc1CO 85942765 573208794 /nfs/dbraw/zinc/20/87/94/573208794.db2.gz XHKTVTKKACSEDJ-NTSWFWBYSA-N 0 0 153.181 1.290 10 0 ADAERN CCCO[C@@H](C)C[C@H](C)O 82815560 573208795 /nfs/dbraw/zinc/20/87/95/573208795.db2.gz HOEFXDCWQJYPHF-YUMQZZPRSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H](CO)c1cc2c(cc1O)COC2 257964925 573208808 /nfs/dbraw/zinc/20/88/08/573208808.db2.gz CCVNPLQISMMXIM-SSDOTTSWSA-N 0 0 194.230 1.518 10 0 ADAERN CC[C@H](O)[C@H](C)/C=C(/C)CO 238313433 573208816 /nfs/dbraw/zinc/20/88/16/573208816.db2.gz ZCSKVIPGEXOGHQ-ZONUIFDKSA-N 0 0 158.241 1.332 10 0 ADAERN CC(=O)CC(C)(C)c1cnccn1 82816141 573208819 /nfs/dbraw/zinc/20/88/19/573208819.db2.gz QVIGBEPDUIJLBN-UHFFFAOYSA-N 0 0 178.235 1.733 10 0 ADAERN CC(C)[C@@H]1NC(=O)C[C@H]1C 104708732 573208845 /nfs/dbraw/zinc/20/88/45/573208845.db2.gz YLNVVVKSZSUFNK-SVRRBLITSA-N 0 0 141.214 1.167 10 0 ADAERN CCCc1ncc2n1CCC[C@H]2O 258252377 573208847 /nfs/dbraw/zinc/20/88/47/573208847.db2.gz HRTWAKIPNGWVDM-SECBINFHSA-N 0 0 180.251 1.663 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141.170 1.119 10 0 ADAERN C=C/C=C/CNC(=O)C=C 104706336 573208890 /nfs/dbraw/zinc/20/88/90/573208890.db2.gz NLGOVKGQOSCVMV-AATRIKPKSA-N 0 0 137.182 1.031 10 0 ADAERN Cc1cncc(-c2cnc[nH]c2=O)c1 235931787 573208894 /nfs/dbraw/zinc/20/88/94/573208894.db2.gz LVAGKUVAYMITFQ-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CC(=O)Cc1noc(-c2ccco2)n1 257965072 573208950 /nfs/dbraw/zinc/20/89/50/573208950.db2.gz JRUUIOGYQBDEAE-UHFFFAOYSA-N 0 0 192.174 1.461 10 0 ADAERN COC(=O)CN(C)c1cccc(F)c1 50005217 573208959 /nfs/dbraw/zinc/20/89/59/573208959.db2.gz YGSRXZUFCDHGSV-UHFFFAOYSA-N 0 0 197.209 1.435 10 0 ADAERN C[C@H](O)C[C@@H](C)[C@@H]1CCOC1 82811625 573208980 /nfs/dbraw/zinc/20/89/80/573208980.db2.gz RTOZRZWWPMJNAG-HRDYMLBCSA-N 0 0 158.241 1.430 10 0 ADAERN COC(=O)C1CC[C@H]2C[C@@H](CC1)C2O 238313159 573209000 /nfs/dbraw/zinc/20/90/00/573209000.db2.gz AZKDSAGJUNRCMA-XWJSGITJSA-N 0 0 198.262 1.347 10 0 ADAERN O=C1C[C@@H]2CCCC(=O)[C@H]2C1 222751211 573209007 /nfs/dbraw/zinc/20/90/07/573209007.db2.gz STWNYXYLPWRILT-XPUUQOCRSA-N 0 0 152.193 1.335 10 0 ADAERN CC(C)(C)N1N=C2CCC[C@@H]2C1=O 104707309 573209049 /nfs/dbraw/zinc/20/90/49/573209049.db2.gz SKCBQRYASILURT-ZETCQYMHSA-N 0 0 180.251 1.783 10 0 ADAERN COC1(CO)Cc2ccccc2C1 257965408 573209062 /nfs/dbraw/zinc/20/90/62/573209062.db2.gz XVXNUMIDMCEQHI-UHFFFAOYSA-N 0 0 178.231 1.163 10 0 ADAERN CC[C@H]1CNC(=O)O[C@H]1CC 238312576 573209065 /nfs/dbraw/zinc/20/90/65/573209065.db2.gz BLMORLSIJFYURW-BQBZGAKWSA-N 0 0 157.213 1.531 10 0 ADAERN C/C=C/CCCNC(C)=O 104708590 573209066 /nfs/dbraw/zinc/20/90/66/573209066.db2.gz RUKHOEZYOKUPTA-ONEGZZNKSA-N 0 0 141.214 1.479 10 0 ADAERN C[C@@H]1CNc2ccc(O)cc2N(C)C1 259375192 573209070 /nfs/dbraw/zinc/20/90/70/573209070.db2.gz VVDCSYBBVIPIAW-MRVPVSSYSA-N 0 0 192.262 1.890 10 0 ADAERN Cc1cnn([C@@H](C)C[C@H](C)O)c1 82815331 573209072 /nfs/dbraw/zinc/20/90/72/573209072.db2.gz DYMUDYORFRFDOI-IUCAKERBSA-N 0 0 168.240 1.523 10 0 ADAERN CCc1nc2ccnn2c(N)c1C 238312553 573209113 /nfs/dbraw/zinc/20/91/13/573209113.db2.gz LXMVHQSTEQUQKG-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN C/C(=C\[C@H]1CCC[N@@H+](C)C1)C(=O)[O-] 259376369 573209127 /nfs/dbraw/zinc/20/91/27/573209127.db2.gz QXPHHAJDBPEDLX-BNICOGTQSA-N 0 0 183.251 1.359 10 0 ADAERN CC[C@H](O)[C@H](C)C(=S)N(C)C 238312786 573209133 /nfs/dbraw/zinc/20/91/33/573209133.db2.gz KTBCOVCIKWTRPA-BQBZGAKWSA-N 0 0 175.297 1.282 10 0 ADAERN C[C@@H](O)C[C@@H](C)OC1CCC1 82815580 573209184 /nfs/dbraw/zinc/20/91/84/573209184.db2.gz ZMZISPKRBUWRFN-HTQZYQBOSA-N 0 0 158.241 1.715 10 0 ADAERN CC[C@]12CCC(=O)C[C@@H]1NC(=O)CC2 238313316 573209218 /nfs/dbraw/zinc/20/92/18/573209218.db2.gz IAZPSLXRXMUBIP-GXSJLCMTSA-N 0 0 195.262 1.414 10 0 ADAERN Cc1nc(NN)c2cccc(F)c2n1 235958165 573209224 /nfs/dbraw/zinc/20/92/24/573209224.db2.gz UFRUZBBAQYKMIO-UHFFFAOYSA-N 0 0 192.197 1.363 10 0 ADAERN Nc1c([C@@H]2CCSC2)o[nH]c1=O 74280487 573209235 /nfs/dbraw/zinc/20/92/35/573209235.db2.gz RAUAZJYWBKVSTI-SCSAIBSYSA-N 0 0 186.236 1.183 10 0 ADAERN C[C@H](O)C[C@@H](C)c1cnccn1 82812316 573209269 /nfs/dbraw/zinc/20/92/69/573209269.db2.gz HKISDGCWHLHONR-SFYZADRCSA-N 0 0 166.224 1.351 10 0 ADAERN CC(=O)CC(C)(C)c1ccnn1C 82816163 573209277 /nfs/dbraw/zinc/20/92/77/573209277.db2.gz NXWHFQJHMMZKLT-UHFFFAOYSA-N 0 0 180.251 1.677 10 0 ADAERN Nc1ccc(O)cc1[C@H](O)C1CC1 257970535 573209284 /nfs/dbraw/zinc/20/92/84/573209284.db2.gz YPEJXXGEDGTVJZ-SNVBAGLBSA-N 0 0 179.219 1.418 10 0 ADAERN Cc1nsc2cccc(CON)c12 257965122 573209294 /nfs/dbraw/zinc/20/92/94/573209294.db2.gz CFSRIVHVVDQXEP-UHFFFAOYSA-N 0 0 194.259 1.995 10 0 ADAERN CNc1cccc2nonc12 104707794 573209299 /nfs/dbraw/zinc/20/92/99/573209299.db2.gz WIZWHGUMNFDQQK-UHFFFAOYSA-N 0 0 149.153 1.265 10 0 ADAERN C[C@@H](Cc1cnn(C)c1)C[C@@H](C)O 82811332 573209313 /nfs/dbraw/zinc/20/93/13/573209313.db2.gz MNZUSCKCKVOHEQ-RKDXNWHRSA-N 0 0 182.267 1.370 10 0 ADAERN Nc1cc([C@H]2CCSC2)no1 259603499 573209316 /nfs/dbraw/zinc/20/93/16/573209316.db2.gz DGMJHZASAQVNCA-YFKPBYRVSA-N 0 0 170.237 1.477 10 0 ADAERN Cc1ccn([C@H](C)C[C@H](C)O)n1 82815386 573209322 /nfs/dbraw/zinc/20/93/22/573209322.db2.gz ORQBTCGNUBEWFG-BDAKNGLRSA-N 0 0 168.240 1.523 10 0 ADAERN CCc1cc2c(cc1OC)OCC2=O 238312396 573209323 /nfs/dbraw/zinc/20/93/23/573209323.db2.gz PFKVQBZGWRITFY-UHFFFAOYSA-N 0 0 192.214 1.833 10 0 ADAERN OCC[C@H]1CCSCC1(F)F 257965472 573209326 /nfs/dbraw/zinc/20/93/26/573209326.db2.gz XXTWDTMHPIJUJK-LURJTMIESA-N 0 0 182.235 1.757 10 0 ADAERN C[C@@H](O)c1ccccc1C1COC1 257964715 573209331 /nfs/dbraw/zinc/20/93/31/573209331.db2.gz HJPYHRWWDBYDRG-MRVPVSSYSA-N 0 0 178.231 1.854 10 0 ADAERN Cc1ncc2c(N)cc(F)c(F)c2n1 115686853 573213236 /nfs/dbraw/zinc/21/32/36/573213236.db2.gz XAYCIPWAKYKHOO-UHFFFAOYSA-N 0 0 195.172 1.799 10 0 ADAERN CN(C)C(=O)N(C)C1CCC(=O)CC1 85956579 573213245 /nfs/dbraw/zinc/21/32/45/573213245.db2.gz QTLOVLIVQHLVCT-UHFFFAOYSA-N 0 0 198.266 1.112 10 0 ADAERN COc1ccc(O)cc1[C@@H](C)O 257972700 573213263 /nfs/dbraw/zinc/21/32/63/573213263.db2.gz INJPSRYJDBHJHI-ZCFIWIBFSA-N 0 0 168.192 1.454 10 0 ADAERN O=CNC1=CCCCCC1 104710580 573213265 /nfs/dbraw/zinc/21/32/65/573213265.db2.gz MCXVALKREBTCIZ-UHFFFAOYSA-N 0 0 139.198 1.580 10 0 ADAERN Nc1ccc(F)c2[nH]c(=O)ccc12 115690217 573213271 /nfs/dbraw/zinc/21/32/71/573213271.db2.gz WBYQGIYPCYQZJJ-UHFFFAOYSA-N 0 0 178.166 1.249 10 0 ADAERN CC(C)(C)[S@](=O)[C@H]1CCC(=O)C1 82821607 573213277 /nfs/dbraw/zinc/21/32/77/573213277.db2.gz VJCXXSFSWVGLBB-UFBFGSQYSA-N 0 0 188.292 1.655 10 0 ADAERN COCc1ccc(C=O)c2c1OCO2 257972650 573213286 /nfs/dbraw/zinc/21/32/86/573213286.db2.gz IMKDYPSDHJGRRP-UHFFFAOYSA-N 0 0 194.186 1.374 10 0 ADAERN C[C@@]1(c2cc(N)no2)CC1(F)F 115677000 573213287 /nfs/dbraw/zinc/21/32/87/573213287.db2.gz NFVMCMKTAQXPKQ-LURJTMIESA-N 0 0 174.150 1.554 10 0 ADAERN Cc1nnc(S[C@@H]2CCC(=O)C2)o1 82819863 573213316 /nfs/dbraw/zinc/21/33/16/573213316.db2.gz RHPKDIPLHNUHFS-SSDOTTSWSA-N 0 0 198.247 1.592 10 0 ADAERN CC(C)(CCC1=CCC[NH2+]C1)C(=O)[O-] 257972410 573213336 /nfs/dbraw/zinc/21/33/36/573213336.db2.gz GOSDBRLZCAXUQT-UHFFFAOYSA-N 0 0 197.278 1.797 10 0 ADAERN CC(C)[C@@H](C)CNc1cncc(N)n1 82828979 573213337 /nfs/dbraw/zinc/21/33/37/573213337.db2.gz RLFOHDNZJNYFRS-QMMMGPOBSA-N 0 0 194.282 1.763 10 0 ADAERN CCOCC(=O)OCCC1(C)CC1 308308312 573213341 /nfs/dbraw/zinc/21/33/41/573213341.db2.gz PIUJGSNLZSZWQP-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN CCO[C@]1(Cl)CCCC[C@@H]1O 238306781 573212569 /nfs/dbraw/zinc/21/25/69/573212569.db2.gz NEYZQJZVDVPDFF-JGVFFNPUSA-N 0 0 178.659 1.893 10 0 ADAERN C[C@H](O)c1cc(F)ccc1C=O 257972759 573212576 /nfs/dbraw/zinc/21/25/76/573212576.db2.gz IPZVTTKVANGVMQ-LURJTMIESA-N 0 0 168.167 1.692 10 0 ADAERN C[C@H](O)/C=C1/CCS[C@@H]1C 235535849 573212594 /nfs/dbraw/zinc/21/25/94/573212594.db2.gz NYHWIRZBEMQNDQ-UCWTYMPZSA-N 0 0 158.266 1.819 10 0 ADAERN OCC[C@H](F)c1ccccc1O 258586777 573212600 /nfs/dbraw/zinc/21/26/00/573212600.db2.gz STMJHYOPHFHXHI-QMMMGPOBSA-N 0 0 170.183 1.785 10 0 ADAERN CN(C)C(=O)Nc1ccccc1CO 85956647 573212623 /nfs/dbraw/zinc/21/26/23/573212623.db2.gz HUKJXIPFLDSYHS-UHFFFAOYSA-N 0 0 194.234 1.272 10 0 ADAERN NOCCc1ccc2cnncc2c1 257971025 573212625 /nfs/dbraw/zinc/21/26/25/573212625.db2.gz CVAIYFKZDBSMKN-UHFFFAOYSA-N 0 0 189.218 1.063 10 0 ADAERN Nc1cc(Cc2ccc(F)cc2)on1 259375139 573212626 /nfs/dbraw/zinc/21/26/26/573212626.db2.gz VUGDTGJTOXATNR-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN Cc1cnc(N2CC=CCC2)c(N)c1 235966628 573212627 /nfs/dbraw/zinc/21/26/27/573212627.db2.gz RWCMXTQXGSDMQH-UHFFFAOYSA-N 0 0 189.262 1.739 10 0 ADAERN Cc1ccc(N(C)CCC(N)=O)cc1 50006765 573212644 /nfs/dbraw/zinc/21/26/44/573212644.db2.gz HKCQXZZZMDKHTK-UHFFFAOYSA-N 0 0 192.262 1.307 10 0 ADAERN C[C@]1(c2cc(N)no2)CC1(F)F 115676997 573212651 /nfs/dbraw/zinc/21/26/51/573212651.db2.gz NFVMCMKTAQXPKQ-ZCFIWIBFSA-N 0 0 174.150 1.554 10 0 ADAERN Nc1cc2n(n1)CCCCC2 258587050 573212662 /nfs/dbraw/zinc/21/26/62/573212662.db2.gz SVZNZLWMHAONSY-UHFFFAOYSA-N 0 0 151.213 1.192 10 0 ADAERN C[C@@H](CCC1=CCC[NH2+]C1)C(=O)[O-] 257972307 573212665 /nfs/dbraw/zinc/21/26/65/573212665.db2.gz GNHWVJSUUWDHTI-QMMMGPOBSA-N 0 0 183.251 1.407 10 0 ADAERN Cc1[nH]c([S-])c[nH+]1 104710712 573212668 /nfs/dbraw/zinc/21/26/68/573212668.db2.gz CRMIKIFLNXEQDG-UHFFFAOYSA-N 0 0 114.173 1.007 10 0 ADAERN CC/C(C)=C\NC=O 104710002 573212702 /nfs/dbraw/zinc/21/27/02/573212702.db2.gz QUMSFCGRKVARIH-XQRVVYSFSA-N 0 0 113.160 1.046 10 0 ADAERN [NH3+][C@H]1CCCCC[C@@H]1CCC(=O)[O-] 257971893 573212706 /nfs/dbraw/zinc/21/27/06/573212706.db2.gz YRAHPDDUMIEESO-BDAKNGLRSA-N 0 0 185.267 1.759 10 0 ADAERN CCC[S@@](=O)[C@@H]1CCC(=O)C1 82821608 573212709 /nfs/dbraw/zinc/21/27/09/573212709.db2.gz FTBRCQKDKSMUJB-KCJUWKMLSA-N 0 0 174.265 1.267 10 0 ADAERN OCCN1CCNc2c(F)cccc21 257971806 573212713 /nfs/dbraw/zinc/21/27/13/573212713.db2.gz BWLDRARXGHREDR-UHFFFAOYSA-N 0 0 196.225 1.050 10 0 ADAERN CCSCc1ncsc1N 257971207 573212725 /nfs/dbraw/zinc/21/27/25/573212725.db2.gz VRYMCNQTYPJUHN-UHFFFAOYSA-N 0 0 174.294 1.978 10 0 ADAERN CC(C)[N@@H+]1CCC(C)(C)[C@H](C(=O)[O-])C1 259375547 573212745 /nfs/dbraw/zinc/21/27/45/573212745.db2.gz VRELLSWJDUCXED-VIFPVBQESA-N 0 0 199.294 1.828 10 0 ADAERN Cc1c(O)ccc2c1CCC(=O)N2C 257971200 573212763 /nfs/dbraw/zinc/21/27/63/573212763.db2.gz VRUJIJISYVXFOC-UHFFFAOYSA-N 0 0 191.230 1.610 10 0 ADAERN O=C1NCCCN1c1ccc(F)cc1 115686264 573212778 /nfs/dbraw/zinc/21/27/78/573212778.db2.gz FLENLJLIMSTXQO-UHFFFAOYSA-N 0 0 194.209 1.745 10 0 ADAERN C/C=C\CCNC(=O)N[C@@H]1C[C@H]1C 308309186 573212801 /nfs/dbraw/zinc/21/28/01/573212801.db2.gz QCZRRUWWANLIMK-UREXNXCXSA-N 0 0 182.267 1.660 10 0 ADAERN [NH3+][C@@H]1C[C@@H]2CCCC[C@@]2(C(=O)[O-])C1 257971923 573212806 /nfs/dbraw/zinc/21/28/06/573212806.db2.gz YRLRDRFOOATAKE-QXFUBDJGSA-N 0 0 183.251 1.369 10 0 ADAERN C[C@@H](O)CC(C)(C)c1cnccn1 82817249 573212811 /nfs/dbraw/zinc/21/28/11/573212811.db2.gz VEUISOULVXIMMC-MRVPVSSYSA-N 0 0 180.251 1.525 10 0 ADAERN CCC1([C@@H]2C[NH2+]C[C@H](C)O2)CCC1 686127971 573212826 /nfs/dbraw/zinc/21/28/26/573212826.db2.gz GWIDUISFDZFLSV-UWVGGRQHSA-N 0 0 183.295 1.944 10 0 ADAERN Cc1cc(N)c(N(C)C)c(N)c1 238307371 573212838 /nfs/dbraw/zinc/21/28/38/573212838.db2.gz YZRIODUYPJXATE-UHFFFAOYSA-N 0 0 165.240 1.225 10 0 ADAERN CCc1ccc(C)c(CCON)c1 257972715 573212859 /nfs/dbraw/zinc/21/28/59/573212859.db2.gz INQWODXGCYNGQT-UHFFFAOYSA-N 0 0 179.263 1.990 10 0 ADAERN CC(C)[N@@H+]1CCC(C)(C)[C@@H](C(=O)[O-])C1 259375541 573212870 /nfs/dbraw/zinc/21/28/70/573212870.db2.gz VRELLSWJDUCXED-SECBINFHSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1cc(CNO)c(F)cc1F 257972758 573212876 /nfs/dbraw/zinc/21/28/76/573212876.db2.gz IPZSLMKNIJVNGS-UHFFFAOYSA-N 0 0 173.162 1.752 10 0 ADAERN C[NH2+][C@@H](C1CCC1)[C@H](C(=O)[O-])C(C)C 259376312 573212882 /nfs/dbraw/zinc/21/28/82/573212882.db2.gz VLTMXLLXPBMRIF-ZJUUUORDSA-N 0 0 199.294 1.731 10 0 ADAERN [NH3+][C@@H]1CCCCC[C@H]1CCC(=O)[O-] 257971896 573212892 /nfs/dbraw/zinc/21/28/92/573212892.db2.gz YRAHPDDUMIEESO-DTWKUNHWSA-N 0 0 185.267 1.759 10 0 ADAERN CCSC(=O)c1cnoc1N 257971257 573212906 /nfs/dbraw/zinc/21/29/06/573212906.db2.gz VTSSNLMNOWBQSF-UHFFFAOYSA-N 0 0 172.209 1.150 10 0 ADAERN Cc1cnnc(NC[C@H]2CCCO2)c1 235977931 573212915 /nfs/dbraw/zinc/21/29/15/573212915.db2.gz RBDYNQASIHZSIH-SECBINFHSA-N 0 0 193.250 1.376 10 0 ADAERN CN(C)C(=O)Nc1ccc(F)c(N)c1 85955908 573212929 /nfs/dbraw/zinc/21/29/29/573212929.db2.gz AOHUVEJYWNGETD-UHFFFAOYSA-N 0 0 197.213 1.501 10 0 ADAERN Cc1cc2c(cc1N)NC(=O)C2 257971529 573212935 /nfs/dbraw/zinc/21/29/35/573212935.db2.gz ILFFDOKVJSPXSP-UHFFFAOYSA-N 0 0 162.192 1.072 10 0 ADAERN C[C@@H](O)CC(C)(C)c1cncnc1 82817225 573212936 /nfs/dbraw/zinc/21/29/36/573212936.db2.gz YKPSYPBZZFIGCB-MRVPVSSYSA-N 0 0 180.251 1.525 10 0 ADAERN Cc1noc(NC[C@H]2CCCOC2)n1 235965201 573212937 /nfs/dbraw/zinc/21/29/37/573212937.db2.gz AAXOKMWCNITSRO-MRVPVSSYSA-N 0 0 197.238 1.217 10 0 ADAERN CCSCCNOCC(C)C 129065786 573212939 /nfs/dbraw/zinc/21/29/39/573212939.db2.gz KCCBVTYVPGDJOX-UHFFFAOYSA-N 0 0 177.313 1.917 10 0 ADAERN C[C@H](Nn1cccc1)c1ccnn1C 235539483 573212941 /nfs/dbraw/zinc/21/29/41/573212941.db2.gz DPTHIJANQPZZAW-VIFPVBQESA-N 0 0 190.250 1.526 10 0 ADAERN O=Cc1cc(F)c2cnoc2c1 259376768 573212943 /nfs/dbraw/zinc/21/29/43/573212943.db2.gz JSRVXQXFMWLSCI-UHFFFAOYSA-N 0 0 165.123 1.779 10 0 ADAERN COc1cc(O)c(CCCO)cc1C 257970930 573212966 /nfs/dbraw/zinc/21/29/66/573212966.db2.gz CSNPXYNQVMVAPU-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN CCC/C=C/NC(C)=O 104711709 573212996 /nfs/dbraw/zinc/21/29/96/573212996.db2.gz JEAGVCYPPHVKMU-AATRIKPKSA-N 0 0 127.187 1.436 10 0 ADAERN CNN1Cc2cc(Cl)ccc2C1=O 238306931 573212997 /nfs/dbraw/zinc/21/29/97/573212997.db2.gz QLYDWVYZPIXNLP-UHFFFAOYSA-N 0 0 196.637 1.430 10 0 ADAERN CCC[S@@](=O)[C@H]1CCCC(=O)C1 82819754 573213004 /nfs/dbraw/zinc/21/30/04/573213004.db2.gz PTBAKKMHMXVFHZ-CABZTGNLSA-N 0 0 188.292 1.657 10 0 ADAERN COc1c([C@@H](C)O)ccc(C)c1O 257970989 573213015 /nfs/dbraw/zinc/21/30/15/573213015.db2.gz CUBADOIUTNLVJE-SSDOTTSWSA-N 0 0 182.219 1.763 10 0 ADAERN CO[C@@H](C)CC(OC)(OC)OC 129088421 573213019 /nfs/dbraw/zinc/21/30/19/573213019.db2.gz BWMBCZLSNGXPPR-ZETCQYMHSA-N 0 0 178.228 1.004 10 0 ADAERN Cc1cccc(N)c1NC(=O)N(C)C 85955923 573213030 /nfs/dbraw/zinc/21/30/30/573213030.db2.gz SQSLETVGQHLBDT-UHFFFAOYSA-N 0 0 193.250 1.671 10 0 ADAERN CC(C)C[S@](=O)[C@@H]1CCC(=O)C1 82821633 573213049 /nfs/dbraw/zinc/21/30/49/573213049.db2.gz VVBRHOQOIYQCOE-BXKDBHETSA-N 0 0 188.292 1.513 10 0 ADAERN Cc1ccc(O)c(CON)c1 257972756 573213054 /nfs/dbraw/zinc/21/30/54/573213054.db2.gz IPSSHAMMXSTRFV-UHFFFAOYSA-N 0 0 153.181 1.091 10 0 ADAERN C[C@@H](O)C(=O)C[C@H]1CC1(C)C 642877793 573213055 /nfs/dbraw/zinc/21/30/55/573213055.db2.gz UALVLIGUVPUYSB-RQJHMYQMSA-N 0 0 156.225 1.373 10 0 ADAERN CCN1C(=O)CNc2cccc(N)c21 259373105 573213063 /nfs/dbraw/zinc/21/30/63/573213063.db2.gz VPMOHXIYRODRKD-UHFFFAOYSA-N 0 0 191.234 1.047 10 0 ADAERN CN(C)[C@@H](O)c1ccc2ncoc2c1 259375523 573213106 /nfs/dbraw/zinc/21/31/06/573213106.db2.gz GJEYTEGUUQMKHY-JTQLQIEISA-N 0 0 192.218 1.380 10 0 ADAERN O=c1ncccn1Cc1ccsc1 123842129 573213113 /nfs/dbraw/zinc/21/31/13/573213113.db2.gz KPVNSQQWSUBVJX-UHFFFAOYSA-N 0 0 192.243 1.353 10 0 ADAERN COCCc1nc2c(C)cccn2n1 257972520 573213131 /nfs/dbraw/zinc/21/31/31/573213131.db2.gz MZZBZNQCPLBIEB-UHFFFAOYSA-N 0 0 191.234 1.227 10 0 ADAERN C[C@H]1CNc2cc(N)ccc2OC1 259372945 573213132 /nfs/dbraw/zinc/21/31/32/573213132.db2.gz VOAIIPWCWBBSMY-ZETCQYMHSA-N 0 0 178.235 1.709 10 0 ADAERN Cc1noc(-c2cc(O)cc(O)c2)n1 235968893 573213164 /nfs/dbraw/zinc/21/31/64/573213164.db2.gz YKVRHUWXKWUARO-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN CC[C@@H]1C(=S)N[C@@H]1CC 104711654 573213174 /nfs/dbraw/zinc/21/31/74/573213174.db2.gz GAVXDGVJSIAUFR-NTSWFWBYSA-N 0 0 143.255 1.722 10 0 ADAERN C[C@H](O)/C=C1/CCS[C@H]1C 235535865 573213181 /nfs/dbraw/zinc/21/31/81/573213181.db2.gz NYHWIRZBEMQNDQ-UJAAABQSSA-N 0 0 158.266 1.819 10 0 ADAERN O=C1C[C@H](CCc2ccccc2)CN1 115709300 573213189 /nfs/dbraw/zinc/21/31/89/573213189.db2.gz HSOKCKRDVRKPGT-NSHDSACASA-N 0 0 189.258 1.755 10 0 ADAERN CC(C)[S@](=O)[C@@H]1CCCC(=O)C1 82819789 573213205 /nfs/dbraw/zinc/21/32/05/573213205.db2.gz GXQOMFCXETYCPP-BXKDBHETSA-N 0 0 188.292 1.655 10 0 ADAERN CC[C@H](C)[S@@](=O)[C@@H]1CCC(=O)C1 82821597 573213227 /nfs/dbraw/zinc/21/32/27/573213227.db2.gz CUHIWJXUGWIALI-VMAXQDLPSA-N 0 0 188.292 1.655 10 0 ADAERN CC(C)(C)C1(CO)CC1 222868598 573224737 /nfs/dbraw/zinc/22/47/37/573224737.db2.gz DVMUNSWABHQTNT-UHFFFAOYSA-N 0 0 128.215 1.805 10 0 ADAERN C[N@@H+]1CCC(C(=O)[O-])=C[C@@H]1C1CC1 257975820 573225377 /nfs/dbraw/zinc/22/53/77/573225377.db2.gz ZCJUQHQEXBHFHV-SECBINFHSA-N 0 0 181.235 1.112 10 0 ADAERN CCCC[N@H+](C)C[C@H]1C[C@H]1C(=O)[O-] 258601165 573225389 /nfs/dbraw/zinc/22/53/89/573225389.db2.gz HLPUMBUXVDNFOL-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN C/C=C(C)/C=C/C(=O)N1CCCO1 308312028 573225406 /nfs/dbraw/zinc/22/54/06/573225406.db2.gz RZCLXTXAGYFXEX-XPVIYQEVSA-N 0 0 181.235 1.673 10 0 ADAERN OCc1nnc(-c2ccccn2)s1 115834383 573225441 /nfs/dbraw/zinc/22/54/41/573225441.db2.gz UWAKZTJPJDCUER-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN COC(=O)[C@]1(O)CC[C@@H](C)[C@@H](C)C1 82839129 573225467 /nfs/dbraw/zinc/22/54/67/573225467.db2.gz OYYMMRJPWIRFLD-WEDXCCLWSA-N 0 0 186.251 1.347 10 0 ADAERN CC(C)(C)[C@H]1CCNC(=O)O1 258597980 573225474 /nfs/dbraw/zinc/22/54/74/573225474.db2.gz UQYIERZPWGOTJT-ZCFIWIBFSA-N 0 0 157.213 1.531 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)C1(C)COC1 308312528 573225489 /nfs/dbraw/zinc/22/54/89/573225489.db2.gz SHKMDLKTMXLUGR-SFYZADRCSA-N 0 0 184.235 1.222 10 0 ADAERN CS/C=C\C(=O)NC1[C@H]2CCC[C@@H]12 308312168 573225500 /nfs/dbraw/zinc/22/55/00/573225500.db2.gz SLTMOCSLSKMGAK-YYXHMULASA-N 0 0 197.303 1.778 10 0 ADAERN C[C@H](C[NH+]1C[C@H](C)[C@@H](C)C1)C(=O)[O-] 86010450 573224739 /nfs/dbraw/zinc/22/47/39/573224739.db2.gz STIMHDXUHWLNBJ-XHNCKOQMSA-N 0 0 185.267 1.295 10 0 ADAERN C[NH2+][C@@H](c1cccnc1)[C@H](C)C(=O)[O-] 259380746 573224748 /nfs/dbraw/zinc/22/47/48/573224748.db2.gz LXROFAPKWFZPLX-IONNQARKSA-N 0 0 194.234 1.063 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[N@H+]1C[C@@H](C)[C@@H](C)C1 86010560 573224760 /nfs/dbraw/zinc/22/47/60/573224760.db2.gz XPPHPXYUYXGDQU-AEJSXWLSSA-N 0 0 199.294 1.683 10 0 ADAERN Cc1cc2ccccn2c1CO 259381383 573224771 /nfs/dbraw/zinc/22/47/71/573224771.db2.gz GYAFFDWUGYFTSW-UHFFFAOYSA-N 0 0 161.204 1.740 10 0 ADAERN CCONC(=O)[C@@H](C)C1=CCCC1 308317330 573224776 /nfs/dbraw/zinc/22/47/76/573224776.db2.gz XZFSCMBRIRAMGQ-QMMMGPOBSA-N 0 0 183.251 1.801 10 0 ADAERN CC(C)c1ncn(CCCCCO)n1 393659476 573224777 /nfs/dbraw/zinc/22/47/77/573224777.db2.gz RUTPOIDLWHDBGD-UHFFFAOYSA-N 0 0 197.282 1.564 10 0 ADAERN OCC[C@H]1CNc2cccc(O)c21 258239297 573224786 /nfs/dbraw/zinc/22/47/86/573224786.db2.gz WYYKCYRMBFLSHS-ZETCQYMHSA-N 0 0 179.219 1.284 10 0 ADAERN CCC[C@@H]1NCC(=O)N1C1CC(C)C1 123873243 573224794 /nfs/dbraw/zinc/22/47/94/573224794.db2.gz UZEFEWVZEQMVJA-UDNWOFFPSA-N 0 0 196.294 1.343 10 0 ADAERN COC(=O)C1=Cc2ccc(O)cc2C1 259038137 573224873 /nfs/dbraw/zinc/22/48/73/573224873.db2.gz ABDYRXCOVRMQCQ-UHFFFAOYSA-N 0 0 190.198 1.505 10 0 ADAERN CCc1nc2c(C)nc(Cl)nc2[nH]1 238309035 573224923 /nfs/dbraw/zinc/22/49/23/573224923.db2.gz MWXXBYIPWOGSRQ-UHFFFAOYSA-N 0 0 196.641 1.877 10 0 ADAERN COC(=O)/C=C\C=C\C1CC1 259380698 573224930 /nfs/dbraw/zinc/22/49/30/573224930.db2.gz QWYSYDPULJBGSV-HZDAAVBUSA-N 0 0 152.193 1.682 10 0 ADAERN CCc1cc(C)cc2c1NC(=O)C2=O 238320473 573224943 /nfs/dbraw/zinc/22/49/43/573224943.db2.gz RUIMTKBJVDDNRU-UHFFFAOYSA-N 0 0 189.214 1.692 10 0 ADAERN CC1=NC(=O)N(C)C(C)(C)C1 238320769 573224950 /nfs/dbraw/zinc/22/49/50/573224950.db2.gz VRWNIPZKWLWLEF-UHFFFAOYSA-N 0 0 154.213 1.324 10 0 ADAERN CCc1cc(C)ccc1[C@@](C)(O)CO 238320930 573224958 /nfs/dbraw/zinc/22/49/58/573224958.db2.gz NRRVUXXNZPKFKQ-LBPRGKRZSA-N 0 0 194.274 1.757 10 0 ADAERN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1C(C)(C)C 259384096 573224970 /nfs/dbraw/zinc/22/49/70/573224970.db2.gz LIZNLTLUIQZGHL-SFYZADRCSA-N 0 0 185.267 1.580 10 0 ADAERN CCc1nc2c(N)n[nH]c2s1 238309616 573224978 /nfs/dbraw/zinc/22/49/78/573224978.db2.gz BYHATXMLZFRVSM-UHFFFAOYSA-N 0 0 168.225 1.164 10 0 ADAERN OCCCc1nc2c(o1)CCCC2 259038301 573224991 /nfs/dbraw/zinc/22/49/91/573224991.db2.gz ABQBQKUXRPZQNE-UHFFFAOYSA-N 0 0 181.235 1.478 10 0 ADAERN CN[C@]1(C(=O)OC)CC[C@H](C)[C@@H](C)C1 82838268 573224994 /nfs/dbraw/zinc/22/49/94/573224994.db2.gz UBYCDDJZVBIBRK-ATZCPNFKSA-N 0 0 199.294 1.574 10 0 ADAERN [NH3+][C@H](CCCC(=O)[O-])C1CCC1 259381540 573225002 /nfs/dbraw/zinc/22/50/02/573225002.db2.gz NEGGCMCPSCYLFV-MRVPVSSYSA-N 0 0 171.240 1.369 10 0 ADAERN C[C@H]1CN(c2ncccc2N)C[C@@H]1C 86009508 573225010 /nfs/dbraw/zinc/22/50/10/573225010.db2.gz BKAYZMXLDLFWOC-IUCAKERBSA-N 0 0 191.278 1.756 10 0 ADAERN CC(N)=CC(=O)OC1CCCC1 115852302 573225044 /nfs/dbraw/zinc/22/50/44/573225044.db2.gz SCFWSXWPGYNVRS-SREVYHEPSA-N 0 0 169.224 1.335 10 0 ADAERN CN1CCOc2ccccc2C1=S 238320560 573225066 /nfs/dbraw/zinc/22/50/66/573225066.db2.gz SAWFXCZYTOXCOL-UHFFFAOYSA-N 0 0 193.271 1.686 10 0 ADAERN Cc1cc(C=O)c2nn(C)cc2c1 259382382 573225085 /nfs/dbraw/zinc/22/50/85/573225085.db2.gz KGFGJCGXOKUFDV-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN C[NH2+][C@H](c1cccnc1)[C@@H](C)C(=O)[O-] 259380741 573225097 /nfs/dbraw/zinc/22/50/97/573225097.db2.gz LXROFAPKWFZPLX-APPZFPTMSA-N 0 0 194.234 1.063 10 0 ADAERN COC(=O)c1oncc1C(C)C 259384868 573225102 /nfs/dbraw/zinc/22/51/02/573225102.db2.gz IMAJPQDQFUUMHL-UHFFFAOYSA-N 0 0 169.180 1.585 10 0 ADAERN Cc1ccc2c(c1)[C@H]([NH3+])[C@H](C(=O)[O-])C2 259603748 573225115 /nfs/dbraw/zinc/22/51/15/573225115.db2.gz DHBWCVTVEBCHKV-ZJUUUORDSA-N 0 0 191.230 1.252 10 0 ADAERN CC(=O)c1coc([C@@H]2CCCCN2)n1 257975475 573225125 /nfs/dbraw/zinc/22/51/25/573225125.db2.gz HGKWLIFEEIWNIR-QMMMGPOBSA-N 0 0 194.234 1.692 10 0 ADAERN CC[C@H]1C[C@@H](CO)CCC1=O 238320854 573225127 /nfs/dbraw/zinc/22/51/27/573225127.db2.gz DKAIZVRBZQJQQN-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN CC[C@H](CO)NC(=S)C(C)C 238309216 573225133 /nfs/dbraw/zinc/22/51/33/573225133.db2.gz DUECPKDZVXMQMA-SSDOTTSWSA-N 0 0 175.297 1.330 10 0 ADAERN CC(C)SC(=O)c1c(N)cnn1C 258239504 573225156 /nfs/dbraw/zinc/22/51/56/573225156.db2.gz ZNRMQXXACYHKGD-UHFFFAOYSA-N 0 0 199.279 1.284 10 0 ADAERN NOC[C@H]1CCCSC1 258599752 573225171 /nfs/dbraw/zinc/22/51/71/573225171.db2.gz UUVQUYPFMSJIIC-ZCFIWIBFSA-N 0 0 147.243 1.020 10 0 ADAERN CC[C@H](O)Cc1cnc(C)cn1 238309106 573225181 /nfs/dbraw/zinc/22/51/81/573225181.db2.gz NUMLOHYIHCHHGZ-VIFPVBQESA-N 0 0 166.224 1.098 10 0 ADAERN O=C1N[C@]2(O)CC[C@@H]3CCCC[C@]13C2 104779020 573225219 /nfs/dbraw/zinc/22/52/19/573225219.db2.gz ZZRKQJMKEXCLLK-GDPRMGEGSA-N 0 0 195.262 1.165 10 0 ADAERN C[C@@H]1CN(c2ncc(N)cn2)C[C@H]1C 86009504 573225227 /nfs/dbraw/zinc/22/52/27/573225227.db2.gz AHHSODFUYRHOCW-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN C[C@@H]1C[C@H]1COC(=O)c1cnns1 308312557 573225260 /nfs/dbraw/zinc/22/52/60/573225260.db2.gz SIYIAIDBVZESHR-RITPCOANSA-N 0 0 198.247 1.351 10 0 ADAERN CC(C)c1nc2n(c1C=O)CCCN2 259381522 573225288 /nfs/dbraw/zinc/22/52/88/573225288.db2.gz XPQOOIUMYDLHFA-UHFFFAOYSA-N 0 0 193.250 1.635 10 0 ADAERN COC(=O)N[C@H](O)[C@@]1(C)CC=CCC1 238320483 573225296 /nfs/dbraw/zinc/22/52/96/573225296.db2.gz IUKRKCJNJMQRGK-SCZZXKLOSA-N 0 0 199.250 1.407 10 0 ADAERN CO[C@@](C)(CCO)C1CC1 258597820 573225301 /nfs/dbraw/zinc/22/53/01/573225301.db2.gz UPZCVFOHJUKPTF-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN CN(C)C(=O)Sc1c[nH]cn1 238309539 573225319 /nfs/dbraw/zinc/22/53/19/573225319.db2.gz IFLPAIWVONJCGU-UHFFFAOYSA-N 0 0 171.225 1.183 10 0 ADAERN C[C@H]1C[C@]2(CC[C@H]1C)CC(=O)NC2=O 82836317 573225329 /nfs/dbraw/zinc/22/53/29/573225329.db2.gz NQAPVZQUQYPTAY-VHSKPIJISA-N 0 0 195.262 1.475 10 0 ADAERN Brc1ccnc2ocnc12 107189124 573225342 /nfs/dbraw/zinc/22/53/42/573225342.db2.gz BRIJRMGPOBAZLE-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN NOC[C@@H]1CCCSC1 258599748 573225347 /nfs/dbraw/zinc/22/53/47/573225347.db2.gz UUVQUYPFMSJIIC-LURJTMIESA-N 0 0 147.243 1.020 10 0 ADAERN C[C@H]1CCCC[C@H]1Nc1nnc(N)o1 235545396 573225353 /nfs/dbraw/zinc/22/53/53/573225353.db2.gz HAOCLDWBOGWFIE-NKWVEPMBSA-N 0 0 196.254 1.642 10 0 ADAERN CCCc1cccc2c1NC(=O)[C@@H]2O 104830306 573225549 /nfs/dbraw/zinc/22/55/49/573225549.db2.gz BVTIOGHGQHYSDR-SNVBAGLBSA-N 0 0 191.230 1.625 10 0 ADAERN CC(C)Cc1nc2n(n1)[C@@H](O)CCC2 258597237 573225560 /nfs/dbraw/zinc/22/55/60/573225560.db2.gz VJLCJUBHBJQNEZ-JTQLQIEISA-N 0 0 195.266 1.304 10 0 ADAERN CC(=O)Cc1c[nH]c(C)c1C 82840890 573225564 /nfs/dbraw/zinc/22/55/64/573225564.db2.gz RDCVXLYDZNYRDD-UHFFFAOYSA-N 0 0 151.209 1.763 10 0 ADAERN C[C@H]1C[C@](C(=O)[O-])([NH+](C)C)CC[C@H]1C 82838978 573225569 /nfs/dbraw/zinc/22/55/69/573225569.db2.gz HBABPLFJTAYEAI-WCABBAIRSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1C[C@@H]1COC(=O)c1ccon1 308312801 573225572 /nfs/dbraw/zinc/22/55/72/573225572.db2.gz SLGAUAKAKCNFEW-RNFRBKRXSA-N 0 0 181.191 1.487 10 0 ADAERN c1onc2c1CCCN2 82835775 573225576 /nfs/dbraw/zinc/22/55/76/573225576.db2.gz JLGSRINTABAZKA-UHFFFAOYSA-N 0 0 124.143 1.033 10 0 ADAERN CC1(COC(=O)c2cocn2)CC1 308311026 573225610 /nfs/dbraw/zinc/22/56/10/573225610.db2.gz RJVDPUDPJPMZFP-UHFFFAOYSA-N 0 0 181.191 1.632 10 0 ADAERN C[C@H]1C[NH+](C/C=C/C(=O)[O-])C[C@@H]1C 86010598 573225614 /nfs/dbraw/zinc/22/56/14/573225614.db2.gz UQKNAARLDIJAPR-FBFNWGNUSA-N 0 0 183.251 1.215 10 0 ADAERN O[C@H]1CCC[C@@H](c2nccnc2F)C1 115808388 573225647 /nfs/dbraw/zinc/22/56/47/573225647.db2.gz CEHASAOMFLHOAO-SFYZADRCSA-N 0 0 196.225 1.634 10 0 ADAERN CCn1[nH]c(=O)cc1CC(C)C 258597965 573225652 /nfs/dbraw/zinc/22/56/52/573225652.db2.gz UQYBYRRKASEXJQ-UHFFFAOYSA-N 0 0 168.240 1.807 10 0 ADAERN C[C@@H]1C[NH+](C/C=C/C(=O)[O-])C[C@H]1C 86010600 573225655 /nfs/dbraw/zinc/22/56/55/573225655.db2.gz UQKNAARLDIJAPR-HUGTUPKYSA-N 0 0 183.251 1.215 10 0 ADAERN CCC(=O)O[C@@H](C)C1CCOCC1 308311986 573225660 /nfs/dbraw/zinc/22/56/60/573225660.db2.gz RXKQBGBIEXAFOP-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN FCOc1cccc2c1NCC2 257975543 573225676 /nfs/dbraw/zinc/22/56/76/573225676.db2.gz KJOVGLVZFVXGAH-UHFFFAOYSA-N 0 0 167.183 1.960 10 0 ADAERN CC[C@@H](C)C[C@]1(CC)NCC(=O)N1C 308520178 573225680 /nfs/dbraw/zinc/22/56/80/573225680.db2.gz OLZWKLVQNKREMO-MWLCHTKSSA-N 0 0 198.310 1.591 10 0 ADAERN CC/C=C\C(=O)O[C@H](C)COCC 308319558 573225722 /nfs/dbraw/zinc/22/57/22/573225722.db2.gz ZLFQTECUACQHHS-ATJFRQLMSA-N 0 0 186.251 1.921 10 0 ADAERN C[C@H]1C[C@]2(CC[C@H]1C)CC(=O)N2 82839607 573225737 /nfs/dbraw/zinc/22/57/37/573225737.db2.gz WKJITKFRXXFHOY-KHQFGBGNSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H]1C[C@@H](OCC(N)=O)CC[C@H]1C 82841037 573225780 /nfs/dbraw/zinc/22/57/80/573225780.db2.gz CUWREQQHNZPXKL-VGMNWLOBSA-N 0 0 185.267 1.313 10 0 ADAERN C[C@H](O)C(=O)c1cccc2c1OCC2 235545521 573225789 /nfs/dbraw/zinc/22/57/89/573225789.db2.gz XPAYREQLKKOTDJ-ZETCQYMHSA-N 0 0 192.214 1.185 10 0 ADAERN O=C1OCCC1=CNCc1ccco1 115863000 573225853 /nfs/dbraw/zinc/22/58/53/573225853.db2.gz ANMOSOYRAVCTJA-SOFGYWHQSA-N 0 0 193.202 1.200 10 0 ADAERN C[C@H]1C[C@@H]([NH2+]CC(=O)[O-])CC[C@H]1C 82836213 573225856 /nfs/dbraw/zinc/22/58/56/573225856.db2.gz LOWLKIRTUWFFHB-VGMNWLOBSA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@@H](CO)C(=O)OCC[C@@H](C)F 308312602 573225864 /nfs/dbraw/zinc/22/58/64/573225864.db2.gz SKNDDKNFEWXKKI-SFYZADRCSA-N 0 0 192.230 1.296 10 0 ADAERN CCS[C@@H]1NCCS1 104736470 573225882 /nfs/dbraw/zinc/22/58/82/573225882.db2.gz HSWPCJAQNTXUAC-YFKPBYRVSA-N 0 0 149.284 1.360 10 0 ADAERN C[C@@H](C[NH2+]CC(=O)[O-])C1CCCCC1 308519701 573225888 /nfs/dbraw/zinc/22/58/88/573225888.db2.gz QXERVEPBJZNLIQ-VIFPVBQESA-N 0 0 199.294 1.877 10 0 ADAERN C/C=C\C[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 308519949 573225900 /nfs/dbraw/zinc/22/59/00/573225900.db2.gz HFDIAJNEENZOSP-QKMQQOOLSA-N 0 0 197.278 1.605 10 0 ADAERN OCC(F)(F)c1cccnc1 259038298 573225901 /nfs/dbraw/zinc/22/59/01/573225901.db2.gz SLQKABSUBCTOOL-UHFFFAOYSA-N 0 0 159.135 1.166 10 0 ADAERN C[C@@H]1C[N@@H+](CC(C)(C)C(=O)[O-])C[C@@H]1C 86012299 573225943 /nfs/dbraw/zinc/22/59/43/573225943.db2.gz STOMOIRLLWWZRH-DTORHVGOSA-N 0 0 199.294 1.685 10 0 ADAERN CC[C@@](C)(OC)C(=O)OC1CCC1 308312302 573225944 /nfs/dbraw/zinc/22/59/44/573225944.db2.gz SGBRSHKADQZACR-SNVBAGLBSA-N 0 0 186.251 1.897 10 0 ADAERN CC1(COC(=O)C2=COCC2)CC1 308312229 573225966 /nfs/dbraw/zinc/22/59/66/573225966.db2.gz SDLVGFUPDRDGSS-UHFFFAOYSA-N 0 0 182.219 1.634 10 0 ADAERN NNc1nc(-c2ccccc2F)c[nH]1 259037653 573225968 /nfs/dbraw/zinc/22/59/68/573225968.db2.gz HBUUSFULNLTQTD-UHFFFAOYSA-N 0 0 192.197 1.501 10 0 ADAERN CC[C@H](C)[C@H](C)NC(=O)[C@H]1CCO1 308310983 573225983 /nfs/dbraw/zinc/22/59/83/573225983.db2.gz RHYCOJJVZNKVCX-XHNCKOQMSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1cccc(CNO)c1 82836958 573226020 /nfs/dbraw/zinc/22/60/20/573226020.db2.gz OZORDXFGRGGLME-UHFFFAOYSA-N 0 0 137.182 1.474 10 0 ADAERN CSCCC(=O)N[C@@H]1CC[C@H]2C[C@H]21 308312178 573226027 /nfs/dbraw/zinc/22/60/27/573226027.db2.gz SMULTXPJXCTEQN-DJLDLDEBSA-N 0 0 199.319 1.654 10 0 ADAERN Cc1ccccc1-c1ncn(C)c1N 104846783 573226032 /nfs/dbraw/zinc/22/60/32/573226032.db2.gz WYNIIAAHSFQXQH-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN COCc1cn2ccc(N)cc2n1 258599418 573226056 /nfs/dbraw/zinc/22/60/56/573226056.db2.gz SIFCQFAMBKYECW-UHFFFAOYSA-N 0 0 177.207 1.063 10 0 ADAERN CC[C@H](CO)C(=O)OCC[C@@H](C)F 308312600 573226065 /nfs/dbraw/zinc/22/60/65/573226065.db2.gz SKNDDKNFEWXKKI-HTQZYQBOSA-N 0 0 192.230 1.296 10 0 ADAERN C[C@H]1C[C@@H]1COC(=O)C1(C)COC1 308312527 573226072 /nfs/dbraw/zinc/22/60/72/573226072.db2.gz SHKMDLKTMXLUGR-JGVFFNPUSA-N 0 0 184.235 1.222 10 0 ADAERN C[C@H]1C[C@H](OCC(N)=O)CC[C@H]1C 82841042 573226077 /nfs/dbraw/zinc/22/60/77/573226077.db2.gz CUWREQQHNZPXKL-HRDYMLBCSA-N 0 0 185.267 1.313 10 0 ADAERN C/C=C/C(=O)OCc1cc(C)no1 308312795 573226078 /nfs/dbraw/zinc/22/60/78/573226078.db2.gz SKVOCDMTMBFPHY-ONEGZZNKSA-N 0 0 181.191 1.602 10 0 ADAERN COC[C@@H]1CCC[C@@H](CCO)C1 257975851 573226080 /nfs/dbraw/zinc/22/60/80/573226080.db2.gz ZDCVTJXOIWUANG-VHSXEESVSA-N 0 0 172.268 1.822 10 0 ADAERN C[C@H]1C[C@@H](OCCO)CC[C@H]1C 82841077 573226092 /nfs/dbraw/zinc/22/60/92/573226092.db2.gz KMRHNDSQSYPVJC-UTLUCORTSA-N 0 0 172.268 1.820 10 0 ADAERN Cc1cc(=O)c2cccc(C=O)c2o1 115846391 573226101 /nfs/dbraw/zinc/22/61/01/573226101.db2.gz GHFSSIKZGPKFMU-UHFFFAOYSA-N 0 0 188.182 1.914 10 0 ADAERN CC/C=C\C(=O)O[C@@H](C)COCC 308319559 573226128 /nfs/dbraw/zinc/22/61/28/573226128.db2.gz ZLFQTECUACQHHS-NMTCXDENSA-N 0 0 186.251 1.921 10 0 ADAERN COC1(c2cccc(N)c2)CC1 259038311 573226170 /nfs/dbraw/zinc/22/61/70/573226170.db2.gz ACAFHZLVBBQPSM-UHFFFAOYSA-N 0 0 163.220 1.904 10 0 ADAERN CCOc1cnn([C@H](C)[C@H](O)CC)c1 308520768 573226171 /nfs/dbraw/zinc/22/61/71/573226171.db2.gz HNDCPFOJCNVVOH-PSASIEDQSA-N 0 0 198.266 1.614 10 0 ADAERN OCC[C@@H]1CNc2cccc(O)c21 258239294 573226185 /nfs/dbraw/zinc/22/61/85/573226185.db2.gz WYYKCYRMBFLSHS-SSDOTTSWSA-N 0 0 179.219 1.284 10 0 ADAERN C[C@]1(c2cocn2)CCC[NH2+]1 82841505 573226217 /nfs/dbraw/zinc/22/62/17/573226217.db2.gz WYLOVARENSUADL-MRVPVSSYSA-N 0 0 152.197 1.273 10 0 ADAERN COC(=O)c1c(C)ccc2nccn12 238321423 573226235 /nfs/dbraw/zinc/22/62/35/573226235.db2.gz OTYNNBSGQUKTKG-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN CCON(C)C(=O)c1cccn1C 308312117 573226240 /nfs/dbraw/zinc/22/62/40/573226240.db2.gz SHJQYTYGIISUCD-UHFFFAOYSA-N 0 0 182.223 1.049 10 0 ADAERN CC(C)[C@@H](C)[C@@H](C(=O)[O-])[NH+]1CCCC1 308519683 573229873 /nfs/dbraw/zinc/22/98/73/573229873.db2.gz QVPTZBMTLUVMSF-ZJUUUORDSA-N 0 0 199.294 1.828 10 0 ADAERN Cn1ncc(CC(F)(F)F)c1N 642880064 573229902 /nfs/dbraw/zinc/22/99/02/573229902.db2.gz KFBQXIWWJOGYGX-UHFFFAOYSA-N 0 0 179.145 1.107 10 0 ADAERN CNc1cc(Cl)cc(=O)n1C 115930742 573229916 /nfs/dbraw/zinc/22/99/16/573229916.db2.gz AQVAHQSCJXDYRU-UHFFFAOYSA-N 0 0 172.615 1.080 10 0 ADAERN C[C@@H]1CN(c2ccc(N)nc2)C[C@@H]1C 86009544 573229987 /nfs/dbraw/zinc/22/99/87/573229987.db2.gz MWXCFKIVNNKLKC-DTORHVGOSA-N 0 0 191.278 1.756 10 0 ADAERN CC[C@@H](C)CN(C)C(=O)[C@H]1CCO1 308314580 573230003 /nfs/dbraw/zinc/23/00/03/573230003.db2.gz UNRSBJJCWJHNON-RKDXNWHRSA-N 0 0 185.267 1.280 10 0 ADAERN O=c1ccc(F)c2o[nH]cc1-2 258598017 573230024 /nfs/dbraw/zinc/23/00/24/573230024.db2.gz URGHTYSWYAORCZ-UHFFFAOYSA-N 0 0 153.112 1.673 10 0 ADAERN Cn1nc([C@H]2CCCS2)cc1CO 259386270 573230033 /nfs/dbraw/zinc/23/00/33/573230033.db2.gz WJUOENPAPWDDRK-SECBINFHSA-N 0 0 198.291 1.481 10 0 ADAERN CC1CCC([C@@]2(O)CCOC2)CC1 82848869 573230035 /nfs/dbraw/zinc/23/00/35/573230035.db2.gz HUNKCNQCYMKREO-VQXHTEKXSA-N 0 0 184.279 1.964 10 0 ADAERN CCc1cnc(C(C)=O)cc1OC 238322184 573230036 /nfs/dbraw/zinc/23/00/36/573230036.db2.gz GZZRKOOCBWUCOB-UHFFFAOYSA-N 0 0 179.219 1.855 10 0 ADAERN CC[C@@H]1CCC[C@@H](NC(N)=S)C1 82848342 573230046 /nfs/dbraw/zinc/23/00/46/573230046.db2.gz VLZGGLCFWAJDEX-HTQZYQBOSA-N 0 0 186.324 1.788 10 0 ADAERN COC(=O)c1c(C)ccn2nccc12 238321863 573230049 /nfs/dbraw/zinc/23/00/49/573230049.db2.gz CVYXSCFDTHDPNR-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN Cn1nc(N)c2sccc21 82842535 573230050 /nfs/dbraw/zinc/23/00/50/573230050.db2.gz CXOAEBVBYGGXAJ-UHFFFAOYSA-N 0 0 153.210 1.217 10 0 ADAERN CC[C@@](C)(NC)C(F)(F)F 82844017 573230055 /nfs/dbraw/zinc/23/00/55/573230055.db2.gz KQBAJBYAUOJISE-RXMQYKEDSA-N 0 0 155.163 1.937 10 0 ADAERN Nc1nnccc1C1CCCC1 258596787 573230070 /nfs/dbraw/zinc/23/00/70/573230070.db2.gz NUPSUXPUWHRFSX-UHFFFAOYSA-N 0 0 163.224 1.716 10 0 ADAERN CC(C)(C)Cc1oncc1N 259383448 573230081 /nfs/dbraw/zinc/23/00/81/573230081.db2.gz WHPIEURVJRNVER-UHFFFAOYSA-N 0 0 154.213 1.845 10 0 ADAERN CCc1nc(SCCC(C)=O)n[nH]1 308314742 573230100 /nfs/dbraw/zinc/23/01/00/573230100.db2.gz VRICFNWEKKHVJG-UHFFFAOYSA-N 0 0 199.279 1.438 10 0 ADAERN CCCC[N@H+](C)C[C@@H]1C[C@@H]1C(=O)[O-] 258601164 573230101 /nfs/dbraw/zinc/23/01/01/573230101.db2.gz HLPUMBUXVDNFOL-IUCAKERBSA-N 0 0 185.267 1.439 10 0 ADAERN COC(=O)N[C@@H]1[C@H]2C=CC=CC[C@@H]21 238322047 573230160 /nfs/dbraw/zinc/23/01/60/573230160.db2.gz CAMIKFXGKIRWTJ-XHNCKOQMSA-N 0 0 179.219 1.473 10 0 ADAERN C/C=C\C(=O)O[C@@H](C)C(=O)C1CC1 308313473 573230163 /nfs/dbraw/zinc/23/01/63/573230163.db2.gz SYEMVNWEIDZNFL-AVALRIAPSA-N 0 0 182.219 1.473 10 0 ADAERN C[C@@H](O)CCc1ccc(CNO)cc1 259385324 573230183 /nfs/dbraw/zinc/23/01/83/573230183.db2.gz IFNVCTLQZHTTOW-SECBINFHSA-N 0 0 195.262 1.479 10 0 ADAERN CCOc1cccc(CNO)c1 132147907 573230193 /nfs/dbraw/zinc/23/01/93/573230193.db2.gz MFVZFZUYCUJFMH-UHFFFAOYSA-N 0 0 167.208 1.564 10 0 ADAERN CCOCC1(C(=O)OC2CC2)CC1 308314750 573230199 /nfs/dbraw/zinc/23/01/99/573230199.db2.gz VRWLEACVGWSWKB-UHFFFAOYSA-N 0 0 184.235 1.509 10 0 ADAERN CONCc1c(OC)ccc(F)c1C 258240941 573230236 /nfs/dbraw/zinc/23/02/36/573230236.db2.gz WVAODQDWUZLMJY-UHFFFAOYSA-N 0 0 199.225 1.794 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H]([NH3+])C(C)(C)C 259385965 573230238 /nfs/dbraw/zinc/23/02/38/573230238.db2.gz LFFXJEVFPFWLHA-YUMQZZPRSA-N 0 0 187.283 1.717 10 0 ADAERN C/C=C\C(=O)N[C@H]1CCCC1(F)F 308314613 573230240 /nfs/dbraw/zinc/23/02/40/573230240.db2.gz UPDRUARNXHTWAX-ZZZKRKDRSA-N 0 0 189.205 1.867 10 0 ADAERN C/C=C(C)/C=C/C(=O)OC[C@@H](C)O 308314941 573230251 /nfs/dbraw/zinc/23/02/51/573230251.db2.gz UTHNCLLVGMHNAM-XPZUVFMBSA-N 0 0 184.235 1.433 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CCCC1(F)F 308314611 573230258 /nfs/dbraw/zinc/23/02/58/573230258.db2.gz UPDRUARNXHTWAX-DQZUBPPWSA-N 0 0 189.205 1.867 10 0 ADAERN COC(=O)c1c(C)ccc2ccnn12 238321180 573230270 /nfs/dbraw/zinc/23/02/70/573230270.db2.gz VVMOZZSCXSRTHK-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN C[NH+](C)C1=C/C(=C\C(=O)[O-])CCC1 238321683 573230275 /nfs/dbraw/zinc/23/02/75/573230275.db2.gz CSAJIFHEYCYHAK-FPLPWBNLSA-N 0 0 181.235 1.627 10 0 ADAERN CNc1nc(C)c2cc(C)oc2n1 238322061 573230284 /nfs/dbraw/zinc/23/02/84/573230284.db2.gz RFCPQSUDSDJMBP-UHFFFAOYSA-N 0 0 177.207 1.881 10 0 ADAERN C/C(C(=O)[O-])=C1/CC[N@@H+]2CCCC[C@H]12 123878131 573230294 /nfs/dbraw/zinc/23/02/94/573230294.db2.gz MLEPGPYVFQZPNL-AAXQSMANSA-N 0 0 195.262 1.646 10 0 ADAERN CCc1cc(C=O)c(C=O)s1 238321385 573230305 /nfs/dbraw/zinc/23/03/05/573230305.db2.gz RCOZTDPVHDDKIY-UHFFFAOYSA-N 0 0 168.217 1.936 10 0 ADAERN CCOC[C@@H](C)Nc1nnc(C)o1 308314265 573230337 /nfs/dbraw/zinc/23/03/37/573230337.db2.gz VHKMAUWCLCZJHT-ZCFIWIBFSA-N 0 0 185.227 1.215 10 0 ADAERN O=Cc1cnc(C[C@@H]2CCCO2)o1 258240247 573230339 /nfs/dbraw/zinc/23/03/39/573230339.db2.gz WFNBJAVVBRVAPP-ZETCQYMHSA-N 0 0 181.191 1.209 10 0 ADAERN OC[C@@]1(c2ccc(Cl)cc2)CCO1 258597187 573230361 /nfs/dbraw/zinc/23/03/61/573230361.db2.gz SCGIOTHICYMUPE-SNVBAGLBSA-N 0 0 198.649 1.948 10 0 ADAERN CCONC(=O)N[C@@H](C)C(C)(C)C 308313627 573230362 /nfs/dbraw/zinc/23/03/62/573230362.db2.gz URIZXLPLAQVWTN-ZETCQYMHSA-N 0 0 188.271 1.672 10 0 ADAERN COC(=O)[C@@H]1C[C@H](C2CCC2)CCN1 258597157 573230364 /nfs/dbraw/zinc/23/03/64/573230364.db2.gz SBYSGDQRHQKATR-ZJUUUORDSA-N 0 0 197.278 1.328 10 0 ADAERN CO[C@](C)(CCO)C1CC1 258597808 573230383 /nfs/dbraw/zinc/23/03/83/573230383.db2.gz UPZCVFOHJUKPTF-MRVPVSSYSA-N 0 0 144.214 1.184 10 0 ADAERN COC(=O)CC1=CCCC(=O)C1 238321953 573230417 /nfs/dbraw/zinc/23/04/17/573230417.db2.gz QDVBUDZRLSLLGQ-UHFFFAOYSA-N 0 0 168.192 1.229 10 0 ADAERN NOCc1cccc2c1CCCC2 257975962 573230440 /nfs/dbraw/zinc/23/04/40/573230440.db2.gz IXPXARMTTZRZQW-UHFFFAOYSA-N 0 0 177.247 1.956 10 0 ADAERN CCONC(=O)NC1(C(F)F)CC1 308314167 573230450 /nfs/dbraw/zinc/23/04/50/573230450.db2.gz VAOKZYZJLAQHOB-UHFFFAOYSA-N 0 0 194.181 1.035 10 0 ADAERN O=C([O-])c1ncc(C[NH2+]C2CC2)s1 257976270 573230466 /nfs/dbraw/zinc/23/04/66/573230466.db2.gz AIQHXULCVQPAPU-UHFFFAOYSA-N 0 0 198.247 1.093 10 0 ADAERN CNc1cn(C)c2ccccc2c1=O 238320997 573230473 /nfs/dbraw/zinc/23/04/73/573230473.db2.gz RWGQQPQKPJERES-UHFFFAOYSA-N 0 0 188.230 1.580 10 0 ADAERN C[C@@H](CO)[C@@H]1Cc2ccccc2N1C 257977510 573230477 /nfs/dbraw/zinc/23/04/77/573230477.db2.gz UZCWJOXXVRVCIR-CABZTGNLSA-N 0 0 191.274 1.676 10 0 ADAERN CNC(=O)C1=CC=CC(C)(C)C=C1 238321740 573230488 /nfs/dbraw/zinc/23/04/88/573230488.db2.gz XCNZQTPLAYOAFO-UHFFFAOYSA-N 0 0 177.247 1.811 10 0 ADAERN Nc1c[nH]c2c1CCC2 82846364 573230495 /nfs/dbraw/zinc/23/04/95/573230495.db2.gz LWFFDOHOJHMPMQ-UHFFFAOYSA-N 0 0 122.171 1.086 10 0 ADAERN CCc1cnc(C(N)=O)cc1CC 238322268 573230499 /nfs/dbraw/zinc/23/04/99/573230499.db2.gz FKJSEFBPEGFHQA-UHFFFAOYSA-N 0 0 178.235 1.305 10 0 ADAERN C[C@@H](O)C[C@H]1Cc2cc(O)ccc2O1 258241000 573230513 /nfs/dbraw/zinc/23/05/13/573230513.db2.gz XECPLJRPYNUKMJ-XCBNKYQSSA-N 0 0 194.230 1.467 10 0 ADAERN CCc1cnc(C(=O)OC)cc1C 238322105 573230523 /nfs/dbraw/zinc/23/05/23/573230523.db2.gz QDAIAQXFPCXVIR-UHFFFAOYSA-N 0 0 179.219 1.739 10 0 ADAERN COc1cncc(NCCSC)n1 308313982 573230536 /nfs/dbraw/zinc/23/05/36/573230536.db2.gz UYRKNPSRUQKBJL-UHFFFAOYSA-N 0 0 199.279 1.260 10 0 ADAERN CCN1N[C@H](C(C)(C)C)CC1=O 258603986 573237041 /nfs/dbraw/zinc/23/70/41/573237041.db2.gz VDAAJNKRNPQBOL-ZETCQYMHSA-N 0 0 170.256 1.158 10 0 ADAERN CC(C)(C[NH2+][C@H]1CCC1(C)C)C(=O)[O-] 308528968 573237071 /nfs/dbraw/zinc/23/70/71/573237071.db2.gz KDMDDJPKKHWQKW-QMMMGPOBSA-N 0 0 199.294 1.875 10 0 ADAERN CCC(=O)O[C@@H](C)[C@]1(C)CCCO1 308315307 573237082 /nfs/dbraw/zinc/23/70/82/573237082.db2.gz VCELAYXTLCDHMY-WPRPVWTQSA-N 0 0 186.251 1.897 10 0 ADAERN CC1CCC([C@H]2COC[C@@H]2O)CC1 687968989 573237095 /nfs/dbraw/zinc/23/70/95/573237095.db2.gz DFRNEHLSZNHIJU-LXKPXOPUSA-N 0 0 184.279 1.820 10 0 ADAERN c1cnc2c(c1)ccn1ccnc21 115989086 573237145 /nfs/dbraw/zinc/23/71/45/573237145.db2.gz JTXHKSJRKCFKLA-UHFFFAOYSA-N 0 0 169.187 1.883 10 0 ADAERN CN1C(=O)[C@H]2CCNc3cccc1c32 238323993 573237153 /nfs/dbraw/zinc/23/71/53/573237153.db2.gz QLKHCCWGEFNOHC-ZETCQYMHSA-N 0 0 188.230 1.562 10 0 ADAERN CCc1cc(C(=O)OC)c(O)cc1O 238314514 573237176 /nfs/dbraw/zinc/23/71/76/573237176.db2.gz OGEYLYOYNWNUEY-UHFFFAOYSA-N 0 0 196.202 1.447 10 0 ADAERN CC(C)Oc1ccccc1CNO 132175295 573237179 /nfs/dbraw/zinc/23/71/79/573237179.db2.gz LHUJRXQOWQFTBA-UHFFFAOYSA-N 0 0 181.235 1.953 10 0 ADAERN COc1cncnc1NCCCCF 308526402 573237198 /nfs/dbraw/zinc/23/71/98/573237198.db2.gz PFHXUDYQLYVOAS-UHFFFAOYSA-N 0 0 199.229 1.647 10 0 ADAERN CCCC[C@H](C)NC(=O)CC(C)=O 50889252 573237206 /nfs/dbraw/zinc/23/72/06/573237206.db2.gz MZRUSMGEYZSWSY-QMMMGPOBSA-N 0 0 185.267 1.660 10 0 ADAERN CC1CCC([C@@H]2COC[C@@H]2O)CC1 687968990 573237224 /nfs/dbraw/zinc/23/72/24/573237224.db2.gz DFRNEHLSZNHIJU-TVUZUIDESA-N 0 0 184.279 1.820 10 0 ADAERN CCCC[C@H](C)N1C(=O)C=C(C)C1=O 50889256 573237241 /nfs/dbraw/zinc/23/72/41/573237241.db2.gz XNJMLJONMIOGDP-VIFPVBQESA-N 0 0 195.262 1.880 10 0 ADAERN Cc1onc2cccc(O)c12 258604646 573237267 /nfs/dbraw/zinc/23/72/67/573237267.db2.gz VGSXDIVLYCMQRC-UHFFFAOYSA-N 0 0 149.149 1.842 10 0 ADAERN CCc1cc(C(=O)OC)cc(C)c1N 238314634 573237272 /nfs/dbraw/zinc/23/72/72/573237272.db2.gz WUMUVQHUSMJVRP-UHFFFAOYSA-N 0 0 193.246 1.926 10 0 ADAERN COC(=O)CC(=O)Nc1ccc(C)o1 259042078 573237275 /nfs/dbraw/zinc/23/72/75/573237275.db2.gz VBPTYDZHIFWZSO-UHFFFAOYSA-N 0 0 197.190 1.090 10 0 ADAERN CC[C@H](OC)[C@@H](O)c1cn(CC)cn1 308527977 573237325 /nfs/dbraw/zinc/23/73/25/573237325.db2.gz JKMRHDPTGSULIE-UWVGGRQHSA-N 0 0 198.266 1.361 10 0 ADAERN CCc1ccc(C(=O)OCOC)o1 308323702 573237348 /nfs/dbraw/zinc/23/73/48/573237348.db2.gz DCUWMJKYIACLQN-UHFFFAOYSA-N 0 0 184.191 1.603 10 0 ADAERN CS/C=C/C(=O)N[C@@H]1C[C@@H]1C1CC1 308316032 573237356 /nfs/dbraw/zinc/23/73/56/573237356.db2.gz WVOYQIPICDIWGR-HOMPQPGZSA-N 0 0 197.303 1.778 10 0 ADAERN Cc1nc(C)c(C=O)c(Cl)n1 82855332 573237362 /nfs/dbraw/zinc/23/73/62/573237362.db2.gz CCKIDTYBKMLYLZ-UHFFFAOYSA-N 0 0 170.599 1.559 10 0 ADAERN Nc1ncc(-c2ccc[nH]2)o1 259041258 573237369 /nfs/dbraw/zinc/23/73/69/573237369.db2.gz FQRKDORWJYFTCC-UHFFFAOYSA-N 0 0 149.153 1.252 10 0 ADAERN CNc1nc2c(o1)CCCC2=O 238323956 573237375 /nfs/dbraw/zinc/23/73/75/573237375.db2.gz ACJOBMLTVUQPMQ-UHFFFAOYSA-N 0 0 166.180 1.235 10 0 ADAERN NOCc1cc2cccc(O)c2o1 258242415 573237380 /nfs/dbraw/zinc/23/73/80/573237380.db2.gz QRNLRJRGYWAJIZ-UHFFFAOYSA-N 0 0 179.175 1.529 10 0 ADAERN CC/C(=C\C(N)=O)c1ccccc1 116021050 573237402 /nfs/dbraw/zinc/23/74/02/573237402.db2.gz BCBQSVMQSXLGLS-CMDGGOBGSA-N 0 0 175.231 1.965 10 0 ADAERN Cc1cccc([C@@H](C)N(C)O)n1 82855785 573237432 /nfs/dbraw/zinc/23/74/32/573237432.db2.gz BYFIBVAEXLXLEF-MRVPVSSYSA-N 0 0 166.224 1.772 10 0 ADAERN Cc1ccccc1[C@@H]1CCNN1 258604007 573237443 /nfs/dbraw/zinc/23/74/43/573237443.db2.gz VDNRAGBRHKUTAW-JTQLQIEISA-N 0 0 162.236 1.534 10 0 ADAERN CCc1cc(CO)n(C(C)C)n1 238324314 573237453 /nfs/dbraw/zinc/23/74/53/573237453.db2.gz BLNRMNZUWZMBSL-UHFFFAOYSA-N 0 0 168.240 1.519 10 0 ADAERN CC1(C)C[C@@H](Nc2nc[nH]n2)CCO1 115994281 573237461 /nfs/dbraw/zinc/23/74/61/573237461.db2.gz ONLHXFODVUSHFY-ZETCQYMHSA-N 0 0 196.254 1.174 10 0 ADAERN CC[C@@H]1CCC[N@H+](C)[C@@H]1C(=O)[O-] 238314807 573237483 /nfs/dbraw/zinc/23/74/83/573237483.db2.gz MOYOHPYQPCBOFA-SFYZADRCSA-N 0 0 171.240 1.191 10 0 ADAERN CCN(Cc1cccc(F)c1N)OC 308526568 573237507 /nfs/dbraw/zinc/23/75/07/573237507.db2.gz IXRFLBRYCTYGDS-UHFFFAOYSA-N 0 0 198.241 1.791 10 0 ADAERN CN1C=CN(C(=O)OC(C)(C)C)C1 238314940 573237511 /nfs/dbraw/zinc/23/75/11/573237511.db2.gz QQFFNZJYTASUBK-UHFFFAOYSA-N 0 0 184.239 1.598 10 0 ADAERN COC(=O)c1cccc(NC#N)c1 259389884 573237515 /nfs/dbraw/zinc/23/75/15/573237515.db2.gz WVECACCUKGPOOP-UHFFFAOYSA-N 0 0 176.175 1.366 10 0 ADAERN CC[C@H](C)CC(=O)N[C@H](C)[C@@H](C)O 308315252 573237521 /nfs/dbraw/zinc/23/75/21/573237521.db2.gz VABRSPWIDLSOKA-DJLDLDEBSA-N 0 0 187.283 1.308 10 0 ADAERN CC[C@@](C)(Cn1cc(N)c(C)n1)OC 716622157 573237554 /nfs/dbraw/zinc/23/75/54/573237554.db2.gz UDXNADICDFYFFB-JTQLQIEISA-N 0 0 197.282 1.589 10 0 ADAERN COCc1cc(N)n(C(C)C)n1 238324235 573237568 /nfs/dbraw/zinc/23/75/68/573237568.db2.gz JWYTYCZWKHBHGP-UHFFFAOYSA-N 0 0 169.228 1.193 10 0 ADAERN CCC(=O)O[C@H](C)c1cnn(C)c1 308315204 573237580 /nfs/dbraw/zinc/23/75/80/573237580.db2.gz UXTYFRQHPBQVMI-SSDOTTSWSA-N 0 0 182.223 1.434 10 0 ADAERN Cc1cnc(/C=C/N(C)C)nc1 258605071 573237581 /nfs/dbraw/zinc/23/75/81/573237581.db2.gz VIFYWVPZGGAMAU-SNAWJCMRSA-N 0 0 163.224 1.317 10 0 ADAERN CC[C@@H](C)OC(=O)c1cncnc1N 308526177 573237588 /nfs/dbraw/zinc/23/75/88/573237588.db2.gz QTEHYTVTTWKVMC-ZCFIWIBFSA-N 0 0 195.222 1.014 10 0 ADAERN CC[C@@H](O)[C@@H]1CCCOCC1 82850013 573237598 /nfs/dbraw/zinc/23/75/98/573237598.db2.gz WXZPFKJUMMZLNZ-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@@H](OC(=O)C1CC1)C(C)C 308323734 573237603 /nfs/dbraw/zinc/23/76/03/573237603.db2.gz DEGPTPLEIVUKGY-SECBINFHSA-N 0 0 186.251 1.611 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)C(=O)N2C 238323928 573237614 /nfs/dbraw/zinc/23/76/14/573237614.db2.gz VOBICVUXMPRZDN-SECBINFHSA-N 0 0 177.203 1.005 10 0 ADAERN CC1(C)c2c(O)cccc2CC[C@@H]1O 259388074 573237620 /nfs/dbraw/zinc/23/76/20/573237620.db2.gz RGDQVTQNXZOLDC-JTQLQIEISA-N 0 0 192.258 1.977 10 0 ADAERN CCc1ccsc1C(=O)CN 82854619 573237670 /nfs/dbraw/zinc/23/76/70/573237670.db2.gz HWUGZPBDJOVYPI-UHFFFAOYSA-N 0 0 169.249 1.452 10 0 ADAERN CC[C@H](C)N(CCO)c1ccccn1 308527530 573237697 /nfs/dbraw/zinc/23/76/97/573237697.db2.gz 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238324385 573239410 /nfs/dbraw/zinc/23/94/10/573239410.db2.gz XWKXWCMRKAUSBG-UHFFFAOYSA-N 0 0 156.141 1.161 10 0 ADAERN COC(C)(OC)[C@@H](C)C(C)=O 222937285 573239448 /nfs/dbraw/zinc/23/94/48/573239448.db2.gz AURVWWYCMLFVAH-LURJTMIESA-N 0 0 160.213 1.221 10 0 ADAERN C[C@@H]1C[C@]1(CO)c1ccccn1 259042079 573239463 /nfs/dbraw/zinc/23/94/63/573239463.db2.gz TVRXJUDEGLQIMO-PSASIEDQSA-N 0 0 163.220 1.352 10 0 ADAERN C[C@H]1Cc2cc(=O)[nH]nc2[C@H](C)C1 82857535 573239485 /nfs/dbraw/zinc/23/94/85/573239485.db2.gz VUVUFEJRQLURGM-RNFRBKRXSA-N 0 0 178.235 1.456 10 0 ADAERN CCc1cc(C(=O)OC)c(O)cc1N 238314497 573239490 /nfs/dbraw/zinc/23/94/90/573239490.db2.gz XGSVICUIJUNATC-UHFFFAOYSA-N 0 0 195.218 1.323 10 0 ADAERN CCc1cc(CON)ccc1C 238324396 573239497 /nfs/dbraw/zinc/23/94/97/573239497.db2.gz WRTWAQULAPDSIA-UHFFFAOYSA-N 0 0 165.236 1.948 10 0 ADAERN C=CO[C@H](C)COCC 115957759 573239504 /nfs/dbraw/zinc/23/95/04/573239504.db2.gz MXRQQNPQVDIUBM-SSDOTTSWSA-N 0 0 130.187 1.572 10 0 ADAERN 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258249032 573251910 /nfs/dbraw/zinc/25/19/10/573251910.db2.gz XQZZLBUDLWRHSQ-MRVPVSSYSA-N 0 0 179.219 1.111 10 0 ADAERN CNc1cc(C)nc(C(=O)[O-])c1 116141000 573251914 /nfs/dbraw/zinc/25/19/14/573251914.db2.gz QYCGHIPMPWYDBS-UHFFFAOYSA-N 0 0 166.180 1.130 10 0 ADAERN CNc1ccc2nc(N)nc-2cc1 238318308 573251977 /nfs/dbraw/zinc/25/19/77/573251977.db2.gz BHTQZUONBXTKNT-UHFFFAOYSA-N 0 0 174.207 1.205 10 0 ADAERN CNC1=N[C@@H]2CCCC[C@]2(C)O1 238318313 573251999 /nfs/dbraw/zinc/25/19/99/573251999.db2.gz HSRKZUSMMJCDKU-APPZFPTMSA-N 0 0 168.240 1.293 10 0 ADAERN C[C@H]1CCC(=O)N1CCC[C@@H](C)O 308329024 573252031 /nfs/dbraw/zinc/25/20/31/573252031.db2.gz JDPIHQHTWACVFL-DTWKUNHWSA-N 0 0 185.267 1.158 10 0 ADAERN O[C@H]1COC[C@@H]1CCc1cccs1 687978282 573252048 /nfs/dbraw/zinc/25/20/48/573252048.db2.gz BPBFMOURZFOXDS-WPRPVWTQSA-N 0 0 198.287 1.688 10 0 ADAERN Cn1ccc(C[C@@H]2CCCCC2=O)n1 123909721 573252055 /nfs/dbraw/zinc/25/20/55/573252055.db2.gz HYJHQCKYNUURAO-VIFPVBQESA-N 0 0 192.262 1.722 10 0 ADAERN CN(C)c1ccnc(Cl)c1C[NH3+] 238317963 573252066 /nfs/dbraw/zinc/25/20/66/573252066.db2.gz LODDTUOXUBBZHE-UHFFFAOYSA-N 0 0 185.658 1.260 10 0 ADAERN OCC[C@H]1Cc2cc(O)ccc2N1 258249035 573252074 /nfs/dbraw/zinc/25/20/74/573252074.db2.gz XQZZLBUDLWRHSQ-QMMMGPOBSA-N 0 0 179.219 1.111 10 0 ADAERN CNc1ccc2cc[nH+]cc2c1N 238317979 573252078 /nfs/dbraw/zinc/25/20/78/573252078.db2.gz GARREHFKPHJBLJ-UHFFFAOYSA-N 0 0 173.219 1.859 10 0 ADAERN CC(C)C[C@H]1CC(N)=NO1 258488281 573252096 /nfs/dbraw/zinc/25/20/96/573252096.db2.gz JSTIFODYKPAWLS-LURJTMIESA-N 0 0 142.202 1.094 10 0 ADAERN O[C@@H]1COC[C@H]1CCc1cccs1 687978279 573252103 /nfs/dbraw/zinc/25/21/03/573252103.db2.gz BPBFMOURZFOXDS-PSASIEDQSA-N 0 0 198.287 1.688 10 0 ADAERN Cc1csc([C@H]2COC(=O)N2)n1 116178852 573252124 /nfs/dbraw/zinc/25/21/24/573252124.db2.gz ADNYFQODKMTZQZ-RXMQYKEDSA-N 0 0 184.220 1.232 10 0 ADAERN COc1ccccc1[C@@H]1COC[C@@H]1O 687957729 573252133 /nfs/dbraw/zinc/25/21/33/573252133.db2.gz BFOLKUIDRRXTRD-UWVGGRQHSA-N 0 0 194.230 1.170 10 0 ADAERN C[C@H](CC(=O)[O-])[C@@H]1CCC[N@H+](C)C1 82878464 573252148 /nfs/dbraw/zinc/25/21/48/573252148.db2.gz DUAFYHSVMBEKCS-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN NOCc1cccc(N2CCCC2)c1 257979204 573252186 /nfs/dbraw/zinc/25/21/86/573252186.db2.gz DNNKXOBZWSWOTA-UHFFFAOYSA-N 0 0 192.262 1.677 10 0 ADAERN Cc1c(O)ccc([C@H]([NH3+])C(=O)[O-])c1C 257979341 573252216 /nfs/dbraw/zinc/25/22/16/573252216.db2.gz DPOVGJFYABEJHS-VIFPVBQESA-N 0 0 195.218 1.093 10 0 ADAERN CONCc1cc(C)c(F)c(O)c1 257989257 573271061 /nfs/dbraw/zinc/27/10/61/573271061.db2.gz FIDDZQJIRGPMMZ-UHFFFAOYSA-N 0 0 185.198 1.491 10 0 ADAERN COCc1cc(Cl)ccn1 86130605 573271069 /nfs/dbraw/zinc/27/10/69/573271069.db2.gz ADAZNLUNVUZMCC-UHFFFAOYSA-N 0 0 157.600 1.881 10 0 ADAERN CC(C)(C)CCNC(=O)C1(CO)CC1 259063456 573271094 /nfs/dbraw/zinc/27/10/94/573271094.db2.gz WPAMGOCOIBWYCX-UHFFFAOYSA-N 0 0 199.294 1.311 10 0 ADAERN Cc1ccc(CNO)cc1O 257988621 573271117 /nfs/dbraw/zinc/27/11/17/573271117.db2.gz KJYMQXRUJDFSFV-UHFFFAOYSA-N 0 0 153.181 1.179 10 0 ADAERN CC(C)(C)Cc1ncc(C[NH3+])o1 258273174 573271128 /nfs/dbraw/zinc/27/11/28/573271128.db2.gz XZJSHLHRHITRNI-UHFFFAOYSA-N 0 0 168.240 1.722 10 0 ADAERN COc1cccc(CNO)c1Cl 257986950 573271141 /nfs/dbraw/zinc/27/11/41/573271141.db2.gz FDRHCDQFJVAOMY-UHFFFAOYSA-N 0 0 187.626 1.827 10 0 ADAERN CCOC[C@H](C)C(C)=O 142475098 573271159 /nfs/dbraw/zinc/27/11/59/573271159.db2.gz BOGLVAGLPMMONF-LURJTMIESA-N 0 0 130.187 1.248 10 0 ADAERN Cc1ncc(-c2nc(N)ns2)s1 74237436 573271201 /nfs/dbraw/zinc/27/12/01/573271201.db2.gz WXZFJIANONJQLG-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN Cn1c(Cl)cnc1N1CCCC1 258615664 573271225 /nfs/dbraw/zinc/27/12/25/573271225.db2.gz UJAUBPLOIUDQLK-UHFFFAOYSA-N 0 0 185.658 1.674 10 0 ADAERN Cc1ccccc1-n1[nH]c(N)cc1=O 105698973 573271226 /nfs/dbraw/zinc/27/12/26/573271226.db2.gz YTHCHTSQASXXID-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CC(C)(CO)c1ccc(F)c(CO)c1 258275265 573271233 /nfs/dbraw/zinc/27/12/33/573271233.db2.gz ZMULRQSMJGJZRH-UHFFFAOYSA-N 0 0 198.237 1.588 10 0 ADAERN Cc1nc([C@H]2C[NH2+]CCO2)sc1C 82911405 573271248 /nfs/dbraw/zinc/27/12/48/573271248.db2.gz IIUMBKHQCMWUOZ-MRVPVSSYSA-N 0 0 198.291 1.421 10 0 ADAERN CCC(=O)CN1CCOC[C@H]1CC 50179849 573271273 /nfs/dbraw/zinc/27/12/73/573271273.db2.gz WUYDSCHAERCBTF-SECBINFHSA-N 0 0 185.267 1.076 10 0 ADAERN C[C@H]1C(=O)Nc2c(F)cccc2N1C 86159004 573271283 /nfs/dbraw/zinc/27/12/83/573271283.db2.gz FLDJYKIPZAXVBU-LURJTMIESA-N 0 0 194.209 1.603 10 0 ADAERN COc1ccc2c(c1F)C(=O)OC2 142434844 573271296 /nfs/dbraw/zinc/27/12/96/573271296.db2.gz GWVPCBGHBARWPZ-UHFFFAOYSA-N 0 0 182.150 1.505 10 0 ADAERN CC(=O)[C@H]1Cc2cc(C)ccc2N1C 258269425 573271314 /nfs/dbraw/zinc/27/13/14/573271314.db2.gz YXJRLIDYUGKCJT-GFCCVEGCSA-N 0 0 189.258 1.945 10 0 ADAERN C/C=C\C[NH2+]CCC[C@H](C)C(=O)[O-] 308337876 573271319 /nfs/dbraw/zinc/27/13/19/573271319.db2.gz OZQDEQGQMZRPGA-TYRPZCRBSA-N 0 0 185.267 1.653 10 0 ADAERN CC(C)(O)c1cc(F)ccc1C=O 257989342 573271339 /nfs/dbraw/zinc/27/13/39/573271339.db2.gz FLUFDFUHZPMINN-UHFFFAOYSA-N 0 0 182.194 1.866 10 0 ADAERN Cn1ccnc1CC(=O)[C@@H]1CC1(C)C 236068813 573271360 /nfs/dbraw/zinc/27/13/60/573271360.db2.gz MADXSVHZCKVWMD-QMMMGPOBSA-N 0 0 192.262 1.578 10 0 ADAERN CC(=O)Cc1cnc([C@H]2CCC[NH2+]2)o1 258273068 573271376 /nfs/dbraw/zinc/27/13/76/573271376.db2.gz XXPUZODIJODCJH-SECBINFHSA-N 0 0 194.234 1.231 10 0 ADAERN CCC(CC)C[NH2+]C1(C(=O)[O-])CC1 129257343 573271380 /nfs/dbraw/zinc/27/13/80/573271380.db2.gz QFJMJWCLLJJDNR-UHFFFAOYSA-N 0 0 185.267 1.629 10 0 ADAERN COC(=O)C/C=C\C[NH+]1CCCCC1 258273760 573271389 /nfs/dbraw/zinc/27/13/89/573271389.db2.gz SBJMODDVQVCBSF-UTCJRWHESA-N 0 0 197.278 1.592 10 0 ADAERN c1nocc1O[C@@H]1CCCO1 258275669 573271398 /nfs/dbraw/zinc/27/13/98/573271398.db2.gz BJVACZGJDKNZNT-SSDOTTSWSA-N 0 0 155.153 1.190 10 0 ADAERN CC(C)OCc1c[nH+]c(N)n1C(C)C 258273756 573271404 /nfs/dbraw/zinc/27/14/04/573271404.db2.gz SSHSXPYUXRUCOD-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C(=O)[O-])nc1 238329434 573271425 /nfs/dbraw/zinc/27/14/25/573271425.db2.gz XHDDWBJUWMWAAS-LURJTMIESA-N 0 0 180.207 1.060 10 0 ADAERN COCc1ccc(C=O)c(F)c1 257988565 573271436 /nfs/dbraw/zinc/27/14/36/573271436.db2.gz KIZALZSLZQDUQF-UHFFFAOYSA-N 0 0 168.167 1.785 10 0 ADAERN Cc1cccnc1N[C@H](CO)C(C)C 86126568 573271443 /nfs/dbraw/zinc/27/14/43/573271443.db2.gz MCKRPVKVDVSTMZ-SNVBAGLBSA-N 0 0 194.278 1.819 10 0 ADAERN C[C@]1(Cc2ccc(O)cc2)[NH2+]CCO1 258275657 573271459 /nfs/dbraw/zinc/27/14/59/573271459.db2.gz BJIGRFZVTATUJH-NSHDSACASA-N 0 0 193.246 1.271 10 0 ADAERN CCC(=O)COc1cccc(CO)c1 50181651 573271467 /nfs/dbraw/zinc/27/14/67/573271467.db2.gz HHWLLFDZKKVXJD-UHFFFAOYSA-N 0 0 194.230 1.537 10 0 ADAERN CC(C)C[C@H](C[NH2+]C1CC1)C(=O)[O-] 258272289 573271484 /nfs/dbraw/zinc/27/14/84/573271484.db2.gz UTGQQPDJVMPUOI-MRVPVSSYSA-N 0 0 185.267 1.485 10 0 ADAERN COCCCNC(=S)SC 142470685 573271490 /nfs/dbraw/zinc/27/14/90/573271490.db2.gz SCVUPAFDHVZUAF-UHFFFAOYSA-N 0 0 179.310 1.260 10 0 ADAERN CCC(=O)CN1CCO[C@H](CC)C1 50179807 573271512 /nfs/dbraw/zinc/27/15/12/573271512.db2.gz AXCRNHGLBYLUEL-SNVBAGLBSA-N 0 0 185.267 1.076 10 0 ADAERN O=C1CCCN1[C@H](O)C1CCCCC1 142472424 573271531 /nfs/dbraw/zinc/27/15/31/573271531.db2.gz NGSVHHYURWRWMG-LLVKDONJSA-N 0 0 197.278 1.508 10 0 ADAERN CC(C)[C@]1(O)CC[C@H](C)OC1 401957610 573271532 /nfs/dbraw/zinc/27/15/32/573271532.db2.gz QJEZCHYDSUPTMM-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN CN1CCCC[C@@H]1c1ncc(C[NH3+])o1 258270916 573271578 /nfs/dbraw/zinc/27/15/78/573271578.db2.gz XVBVPQNMLWNUPT-SECBINFHSA-N 0 0 195.266 1.290 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)OCC1CC1 308338125 573271581 /nfs/dbraw/zinc/27/15/81/573271581.db2.gz PDLQGZHYEXTNBR-IONNQARKSA-N 0 0 183.251 1.779 10 0 ADAERN CCC(=O)CN(C)Cc1ccccn1 50180293 573271583 /nfs/dbraw/zinc/27/15/83/573271583.db2.gz DTQAIQZGARJHQK-UHFFFAOYSA-N 0 0 192.262 1.493 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)OCC1CC1 308338126 573271585 /nfs/dbraw/zinc/27/15/85/573271585.db2.gz PDLQGZHYEXTNBR-VXNVDRBHSA-N 0 0 183.251 1.779 10 0 ADAERN Cn1ccnc1CC(=O)[C@H]1CC1(C)C 236069124 573271601 /nfs/dbraw/zinc/27/16/01/573271601.db2.gz MADXSVHZCKVWMD-MRVPVSSYSA-N 0 0 192.262 1.578 10 0 ADAERN Cc1cccc(CNn2cccc2)n1 86136332 573271603 /nfs/dbraw/zinc/27/16/03/573271603.db2.gz TYFQUFSLVOLXQU-UHFFFAOYSA-N 0 0 187.246 1.935 10 0 ADAERN [NH3+]CC1=NC[C@H](c2ccccc2F)O1 258269965 573271608 /nfs/dbraw/zinc/27/16/08/573271608.db2.gz QXGUWORSCLPODM-SECBINFHSA-N 0 0 194.209 1.254 10 0 ADAERN COC[C@@H]1C=C[C@@H]2CC(=O)C[C@@H]12 238329739 573271612 /nfs/dbraw/zinc/27/16/12/573271612.db2.gz ZEAGRIHWYBVJIJ-KHQFGBGNSA-N 0 0 166.220 1.414 10 0 ADAERN CCC(=O)CN(CC)CC(F)(F)F 50180096 573271622 /nfs/dbraw/zinc/27/16/22/573271622.db2.gz BKQULGBLBUIMRE-UHFFFAOYSA-N 0 0 197.200 1.850 10 0 ADAERN CCC[C@@H]1CCN[C@@](C)(C(=O)OC)C1 258615555 573271649 /nfs/dbraw/zinc/27/16/49/573271649.db2.gz UIETVGHVMTULLU-MWLCHTKSSA-N 0 0 199.294 1.718 10 0 ADAERN CC(=O)c1c(C)[nH]c(CN(C)C)c1C 238328766 573271663 /nfs/dbraw/zinc/27/16/63/573271663.db2.gz UPUOSHXTVDFSOF-UHFFFAOYSA-N 0 0 194.278 1.896 10 0 ADAERN CC(C)[C@H](C)CC(=O)OC1COC1 308338817 573272396 /nfs/dbraw/zinc/27/23/96/573272396.db2.gz PRZZAVSXGODOGJ-MRVPVSSYSA-N 0 0 186.251 1.611 10 0 ADAERN COC(=O)[C@@H]1CC(C)=CCC1=O 238329525 573271726 /nfs/dbraw/zinc/27/17/26/573271726.db2.gz LXQBISCLKSOPER-SSDOTTSWSA-N 0 0 168.192 1.085 10 0 ADAERN C[C@@H]1C[NH2+][C@@](C)(c2ccncc2)OC1 258269040 573271741 /nfs/dbraw/zinc/27/17/41/573271741.db2.gz BEVJZEUNPCOPON-MWLCHTKSSA-N 0 0 192.262 1.510 10 0 ADAERN CC(=O)[C@H]1Cc2c(O)cccc2N1 257986927 573271753 /nfs/dbraw/zinc/27/17/53/573271753.db2.gz BCNUWGAZYVAVKG-SECBINFHSA-N 0 0 177.203 1.318 10 0 ADAERN O=Cc1cc(F)c(F)cc1C1(O)CC1 257987015 573271760 /nfs/dbraw/zinc/27/17/60/573271760.db2.gz FFZWZFNXSLYVSF-UHFFFAOYSA-N 0 0 198.168 1.759 10 0 ADAERN CNc1noc(Cc2ccccc2)n1 238329185 573271794 /nfs/dbraw/zinc/27/17/94/573271794.db2.gz UYOJVTQCYJKHAK-UHFFFAOYSA-N 0 0 189.218 1.702 10 0 ADAERN COc1cc(CCON)cc(C)c1F 258270409 573271802 /nfs/dbraw/zinc/27/18/02/573271802.db2.gz ZEHCDLCECWPXEV-UHFFFAOYSA-N 0 0 199.225 1.576 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(F)c(C(=O)[O-])c1 238330148 573271829 /nfs/dbraw/zinc/27/18/29/573271829.db2.gz DRBZYSVJSVMAHN-LURJTMIESA-N 0 0 197.209 1.804 10 0 ADAERN CCOCCOCC(=O)CC 50181113 573271842 /nfs/dbraw/zinc/27/18/42/573271842.db2.gz ONHXYOVHKZTSLZ-UHFFFAOYSA-N 0 0 160.213 1.019 10 0 ADAERN CC(C)CC12OCC(CO1)CO2 258617212 573271847 /nfs/dbraw/zinc/27/18/47/573271847.db2.gz OUELXWRALMBYLZ-UHFFFAOYSA-N 0 0 172.224 1.380 10 0 ADAERN COC[C@@H]1C=C[C@@H]2C(=O)C[C@H]12 238329785 573271848 /nfs/dbraw/zinc/27/18/48/573271848.db2.gz KUIDHVKCCMSXCW-BIIVOSGPSA-N 0 0 152.193 1.024 10 0 ADAERN CCN1CC(=O)Nc2cc(C)ccc21 86159306 573271861 /nfs/dbraw/zinc/27/18/61/573271861.db2.gz MRRARTMGYCTYCG-UHFFFAOYSA-N 0 0 190.246 1.773 10 0 ADAERN CC(C)[C@@]1(O)CC[C@@H](C)OC1 401957611 573271909 /nfs/dbraw/zinc/27/19/09/573271909.db2.gz QJEZCHYDSUPTMM-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@@]1(C[C@@H]2CCCS2)[NH2+]CCO1 258269124 573271925 /nfs/dbraw/zinc/27/19/25/573271925.db2.gz BEYITKXWLJKSBB-DTWKUNHWSA-N 0 0 187.308 1.608 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)Cc1ccccc1 690032612 573271939 /nfs/dbraw/zinc/27/19/39/573271939.db2.gz PCOYANDDSJDGHB-IJLUTSLNSA-N 0 0 192.258 1.625 10 0 ADAERN c1nocc1O[C@H]1CCCO1 258275670 573271952 /nfs/dbraw/zinc/27/19/52/573271952.db2.gz BJVACZGJDKNZNT-ZETCQYMHSA-N 0 0 155.153 1.190 10 0 ADAERN O=C([O-])[C@@H]1CC[C@@H](c2cscn2)[NH2+]1 74238090 573271972 /nfs/dbraw/zinc/27/19/72/573271972.db2.gz NKEMLYYZSVHMBE-WDSKDSINSA-N 0 0 198.247 1.021 10 0 ADAERN CC[N@H+]1CC=C(CCCC(=O)[O-])CC1 257988422 573271987 /nfs/dbraw/zinc/27/19/87/573271987.db2.gz HQTVCWZSUMXYRL-UHFFFAOYSA-N 0 0 197.278 1.893 10 0 ADAERN Cc1nc(C=O)oc1C1CC1 258615612 573271999 /nfs/dbraw/zinc/27/19/99/573271999.db2.gz WDKZRSHKLARMKX-UHFFFAOYSA-N 0 0 151.165 1.673 10 0 ADAERN CCN1C(=O)CN(C(C)(C)C)C1=O 86137667 573272001 /nfs/dbraw/zinc/27/20/01/573272001.db2.gz IHYSIWBXQLAWAO-UHFFFAOYSA-N 0 0 184.239 1.069 10 0 ADAERN Cc1nc(C2CCOCC2)sc1N 74237394 573272003 /nfs/dbraw/zinc/27/20/03/573272003.db2.gz MUUCYXBACDJEIJ-UHFFFAOYSA-N 0 0 198.291 1.928 10 0 ADAERN C=C(C)[C@H]([NH2+]CCC)C(=O)[O-] 158890757 573272016 /nfs/dbraw/zinc/27/20/16/573272016.db2.gz JAOHFXOIRUHRON-ZETCQYMHSA-N 0 0 157.213 1.015 10 0 ADAERN Cc1noc(C2(C[NH3+])CCCCC2)n1 82907734 573272030 /nfs/dbraw/zinc/27/20/30/573272030.db2.gz DBUGHDIYFMAKCR-UHFFFAOYSA-N 0 0 195.266 1.539 10 0 ADAERN COC(=O)C/C=C\c1cccc(O)c1 258273766 573272079 /nfs/dbraw/zinc/27/20/79/573272079.db2.gz SBOQUAFHDCVTGT-HYXAFXHYSA-N 0 0 192.214 1.969 10 0 ADAERN CCC(=O)COC[C@@H]1CCCCO1 50181152 573272116 /nfs/dbraw/zinc/27/21/16/573272116.db2.gz KVTQXNCBKZOGJI-JTQLQIEISA-N 0 0 186.251 1.551 10 0 ADAERN C[C@H](O)c1c(F)ccc2c1OCC2 257986936 573272122 /nfs/dbraw/zinc/27/21/22/573272122.db2.gz FDEVCLDQGKCGKI-LURJTMIESA-N 0 0 182.194 1.814 10 0 ADAERN NN=c1[nH]c2cc(O)ccc2s1 257988433 573272124 /nfs/dbraw/zinc/27/21/24/573272124.db2.gz DHWLPDICJXAJQU-UHFFFAOYSA-N 0 0 181.220 1.288 10 0 ADAERN CONCc1cc(F)c(O)cc1F 257984763 573272127 /nfs/dbraw/zinc/27/21/27/573272127.db2.gz FAQFGNLEEJUSCV-UHFFFAOYSA-N 0 0 189.161 1.321 10 0 ADAERN CC(C)(C)OCc1cc(NN)ccn1 86135669 573272152 /nfs/dbraw/zinc/27/21/52/573272152.db2.gz GXIWZVACFYOBAL-UHFFFAOYSA-N 0 0 195.266 1.682 10 0 ADAERN C[C@H](CO)c1cccc(NC(N)=O)c1 257986993 573272154 /nfs/dbraw/zinc/27/21/54/573272154.db2.gz FFBXGTCLJDSGOR-SSDOTTSWSA-N 0 0 194.234 1.273 10 0 ADAERN C[NH2+]Cc1ccnn1CC1=CCCC1 400396069 573272198 /nfs/dbraw/zinc/27/21/98/573272198.db2.gz OMJOWZHEIULAPA-UHFFFAOYSA-N 0 0 191.278 1.713 10 0 ADAERN C[C@@H]1CCO[C@@H]1c1nnc(N)s1 123945812 573272200 /nfs/dbraw/zinc/27/22/00/573272200.db2.gz IHUZHOHZNKZBSL-UHNVWZDZSA-N 0 0 185.252 1.218 10 0 ADAERN C[C@@]1(C[C@H]2CCCS2)[NH2+]CCO1 258272326 573272221 /nfs/dbraw/zinc/27/22/21/573272221.db2.gz BEYITKXWLJKSBB-RKDXNWHRSA-N 0 0 187.308 1.608 10 0 ADAERN OCCc1cc2c(cc1F)OCO2 257986989 573272249 /nfs/dbraw/zinc/27/22/49/573272249.db2.gz FEYFQGOUEFIWEP-UHFFFAOYSA-N 0 0 184.166 1.089 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C(=O)[O-])cc1C 238329378 573272250 /nfs/dbraw/zinc/27/22/50/573272250.db2.gz YMHSUDSHBLPADJ-QMMMGPOBSA-N 0 0 193.246 1.974 10 0 ADAERN COC(=O)C/C=C\[C@@H]1CCCO1 258269070 573272253 /nfs/dbraw/zinc/27/22/53/573272253.db2.gz RSFHTBWBTHSMHJ-DLRBJTRDSA-N 0 0 170.208 1.285 10 0 ADAERN CCC(=O)CN1CCOC[C@@H]1CC 50179850 573272282 /nfs/dbraw/zinc/27/22/82/573272282.db2.gz WUYDSCHAERCBTF-VIFPVBQESA-N 0 0 185.267 1.076 10 0 ADAERN CO[C@@H]1CCc2c(O)ccc(O)c21 238329661 573272284 /nfs/dbraw/zinc/27/22/84/573272284.db2.gz LVYOQOHHAJVHBT-SECBINFHSA-N 0 0 180.203 1.732 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@@H]([NH3+])C1(C)CCC1 686135460 573272313 /nfs/dbraw/zinc/27/23/13/573272313.db2.gz DFMNSSOALNWCAT-RKDXNWHRSA-N 0 0 199.294 1.861 10 0 ADAERN COCc1ccc(OC)cc1CO 257987005 573272319 /nfs/dbraw/zinc/27/23/19/573272319.db2.gz FFPISBLDUQPFFL-UHFFFAOYSA-N 0 0 182.219 1.334 10 0 ADAERN CN1CC[C@]2(C=CCCC2)C1=O 238329286 573272330 /nfs/dbraw/zinc/27/23/30/573272330.db2.gz JZSDDKGTKZBCRA-SNVBAGLBSA-N 0 0 165.236 1.575 10 0 ADAERN C=C(C)[C@@H]([NH2+]CCC)C(=O)[O-] 158890886 573272336 /nfs/dbraw/zinc/27/23/36/573272336.db2.gz JAOHFXOIRUHRON-SSDOTTSWSA-N 0 0 157.213 1.015 10 0 ADAERN C/C=C/C[NH2+]CCC[C@@H](C)C(=O)[O-] 308337874 573274039 /nfs/dbraw/zinc/27/40/39/573274039.db2.gz OZQDEQGQMZRPGA-CDAZIORVSA-N 0 0 185.267 1.653 10 0 ADAERN COc1cc(C)c(CNO)cc1OC 257987043 573274050 /nfs/dbraw/zinc/27/40/50/573274050.db2.gz FGRFVVHQPANJSH-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN COc1ncnc2c1c(C)c(C)n2C 105641057 573274052 /nfs/dbraw/zinc/27/40/52/573274052.db2.gz BEGFXEWWSQRRIW-UHFFFAOYSA-N 0 0 191.234 1.594 10 0 ADAERN CC[C@@H](C)c1nc(CO)no1 142477533 573274094 /nfs/dbraw/zinc/27/40/94/573274094.db2.gz DCOVUQUIKXILRX-RXMQYKEDSA-N 0 0 156.185 1.075 10 0 ADAERN C[C@H]1CCO[C@H]1c1nnc(N)s1 123946331 573274099 /nfs/dbraw/zinc/27/40/99/573274099.db2.gz IHUZHOHZNKZBSL-CRCLSJGQSA-N 0 0 185.252 1.218 10 0 ADAERN CNc1cc(Cl)nnc1OC 238328840 573274125 /nfs/dbraw/zinc/27/41/25/573274125.db2.gz MKCXMMDFIYSARP-UHFFFAOYSA-N 0 0 173.603 1.180 10 0 ADAERN CCC[C@@H](CCCCO)OC 238795377 573274137 /nfs/dbraw/zinc/27/41/37/573274137.db2.gz GPUUIGAVEVONJU-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN COc1cc2c(cc1F)NC(=O)CN2 86158790 573273397 /nfs/dbraw/zinc/27/33/97/573273397.db2.gz XWEJBUQEOBOLGA-UHFFFAOYSA-N 0 0 196.181 1.198 10 0 ADAERN CCC[C@@H](NN)[C@@]1(C)CCCO1 129255438 573273405 /nfs/dbraw/zinc/27/34/05/573273405.db2.gz MBBJKQIXQNEEJA-RKDXNWHRSA-N 0 0 172.272 1.188 10 0 ADAERN Cc1cccnc1N[C@@H](CO)C(C)C 86126564 573273414 /nfs/dbraw/zinc/27/34/14/573273414.db2.gz MCKRPVKVDVSTMZ-JTQLQIEISA-N 0 0 194.278 1.819 10 0 ADAERN c1nocc1O[C@@H]1CCCOC1 258275687 573273434 /nfs/dbraw/zinc/27/34/34/573273434.db2.gz BKDXJYBBFRQYFZ-SSDOTTSWSA-N 0 0 169.180 1.232 10 0 ADAERN COc1nc(C)c(C2([NH3+])CCC2)s1 82911437 573273441 /nfs/dbraw/zinc/27/34/41/573273441.db2.gz QWGFNMZZZVLVBC-UHFFFAOYSA-N 0 0 198.291 1.798 10 0 ADAERN COc1cccc2c1c(C=O)nn2C 107420229 573273467 /nfs/dbraw/zinc/27/34/67/573273467.db2.gz OLZXYRNWTXJRFP-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN COC(=O)[C@H]1CC[C@H](C=C(C)C)N1 238329455 573273469 /nfs/dbraw/zinc/27/34/69/573273469.db2.gz HNSXJEFHYPEESW-RKDXNWHRSA-N 0 0 183.251 1.246 10 0 ADAERN CCC(=O)CN(C)Cc1ccc(C)o1 50180279 573273480 /nfs/dbraw/zinc/27/34/80/573273480.db2.gz ALNRRWOUUOQORL-UHFFFAOYSA-N 0 0 195.262 1.999 10 0 ADAERN CCc1cc(F)cc(C(=O)OC)n1 238329511 573273485 /nfs/dbraw/zinc/27/34/85/573273485.db2.gz ODFNJVWJEWCYQA-UHFFFAOYSA-N 0 0 183.182 1.570 10 0 ADAERN Cc1ccc(N[C@H](CO)C(C)C)nc1 86126584 573273490 /nfs/dbraw/zinc/27/34/90/573273490.db2.gz NQUPDRHPEMJCNC-SNVBAGLBSA-N 0 0 194.278 1.819 10 0 ADAERN CCCCOCCOCC(=O)CC 50181411 573273522 /nfs/dbraw/zinc/27/35/22/573273522.db2.gz UDOBIKPBYHVTFQ-UHFFFAOYSA-N 0 0 188.267 1.799 10 0 ADAERN CC(C)(C)[C@H]1CC(=O)N[C@@H]1CCCO 215121374 573273523 /nfs/dbraw/zinc/27/35/23/573273523.db2.gz CACWCVBLILOKSM-DTWKUNHWSA-N 0 0 199.294 1.310 10 0 ADAERN C[N@@H+]1CCC=C(CCC(=O)[O-])C1 258273820 573273534 /nfs/dbraw/zinc/27/35/34/573273534.db2.gz ZDZUSHKPTFPLQC-UHFFFAOYSA-N 0 0 169.224 1.113 10 0 ADAERN Nc1ccnc(OCCC2CC2)c1N 308535453 573273537 /nfs/dbraw/zinc/27/35/37/573273537.db2.gz RREBGVRLGMAFED-UHFFFAOYSA-N 0 0 193.250 1.425 10 0 ADAERN C[NH2+][C@@H](C)c1ccc(C)c(C(=O)[O-])c1 238329464 573273543 /nfs/dbraw/zinc/27/35/43/573273543.db2.gz AAWAJTCUCPEIBU-QMMMGPOBSA-N 0 0 193.246 1.974 10 0 ADAERN C/C=C\NC(=O)N/C=C/C 211934256 573273601 /nfs/dbraw/zinc/27/36/01/573273601.db2.gz NPEFRNQLUSCACG-CIIODKQPSA-N 0 0 140.186 1.353 10 0 ADAERN COC(=O)[C@@H]1CC(=O)[C@@H](C)[C@@H]1C 238329118 573273621 /nfs/dbraw/zinc/27/36/21/573273621.db2.gz SRGUCPXCWOGIPL-LYFYHCNISA-N 0 0 170.208 1.021 10 0 ADAERN CNc1cc(F)c(F)nc1F 238328900 573273641 /nfs/dbraw/zinc/27/36/41/573273641.db2.gz MWKNEEGQHLLZGH-UHFFFAOYSA-N 0 0 162.114 1.541 10 0 ADAERN CO[C@@H]1CCn2ccc(C=O)c21 238329726 573273655 /nfs/dbraw/zinc/27/36/55/573273655.db2.gz FLWMWFISCTULPY-MRVPVSSYSA-N 0 0 165.192 1.392 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)NCC(F)F 393579823 573273687 /nfs/dbraw/zinc/27/36/87/573273687.db2.gz FXOLMFVRYQEPHS-WDSKDSINSA-N 0 0 192.209 1.207 10 0 ADAERN C[NH2+]CCc1ccc(F)cc1C(=O)[O-] 257989345 573273689 /nfs/dbraw/zinc/27/36/89/573273689.db2.gz FLYLTVWNCKXIQA-UHFFFAOYSA-N 0 0 197.209 1.286 10 0 ADAERN COCC[C@H]1CCNCC1(F)F 238330202 573273735 /nfs/dbraw/zinc/27/37/35/573273735.db2.gz BGNZSGLFKOXULA-SSDOTTSWSA-N 0 0 179.210 1.268 10 0 ADAERN COc1cnc(N[C@H]2CC23CC3)nc1 715267126 573273736 /nfs/dbraw/zinc/27/37/36/573273736.db2.gz ZEOYPXGIVFLBIW-QMMMGPOBSA-N 0 0 191.234 1.450 10 0 ADAERN CC(C)OCc1cc(NN)ccn1 86135724 573273744 /nfs/dbraw/zinc/27/37/44/573273744.db2.gz TUZZXTUFECAAGU-UHFFFAOYSA-N 0 0 181.239 1.292 10 0 ADAERN C[NH2+][C@H](C)c1cc(C(=O)[O-])ccn1 238329817 573273811 /nfs/dbraw/zinc/27/38/11/573273811.db2.gz QRKCLCJXGPQYRG-ZCFIWIBFSA-N 0 0 180.207 1.060 10 0 ADAERN C[C@]1(C[C@@H]2CCCS2)[NH2+]CCO1 258272324 573273815 /nfs/dbraw/zinc/27/38/15/573273815.db2.gz BEYITKXWLJKSBB-IUCAKERBSA-N 0 0 187.308 1.608 10 0 ADAERN COc1c(C)cc(C(=O)C=O)cc1C 259063189 573273836 /nfs/dbraw/zinc/27/38/36/573273836.db2.gz CWZKJBKSNMPBCW-UHFFFAOYSA-N 0 0 192.214 1.694 10 0 ADAERN C[C@@H]1CNc2ccc(F)cc2NC1=O 86159041 573273844 /nfs/dbraw/zinc/27/38/44/573273844.db2.gz GUHZJUVMBOIUAG-ZCFIWIBFSA-N 0 0 194.209 1.826 10 0 ADAERN C/C=C\C[N@@H+]1CC[C@@H](CCC(=O)[O-])C1 308338491 573273927 /nfs/dbraw/zinc/27/39/27/573273927.db2.gz GBZMSHDPXXGUPQ-MXQLGCADSA-N 0 0 197.278 1.749 10 0 ADAERN C[N@@H+]1CC[C@@]2(CCCC(=O)C2)C1 238329263 573273938 /nfs/dbraw/zinc/27/39/38/573273938.db2.gz DKBGXPHYYGWJHE-SNVBAGLBSA-N 0 0 167.252 1.451 10 0 ADAERN CC[C@H]1C(=O)Nc2ccccc2N1C 86158629 573273940 /nfs/dbraw/zinc/27/39/40/573273940.db2.gz NIONRAMBPBGUGN-VIFPVBQESA-N 0 0 190.246 1.854 10 0 ADAERN C[C@@H](O)Cc1cc(F)ccc1C=O 257984767 573273945 /nfs/dbraw/zinc/27/39/45/573273945.db2.gz FARKVOFZGIZYFZ-SSDOTTSWSA-N 0 0 182.194 1.562 10 0 ADAERN C[C@H](O)Cc1coc(-c2ccco2)n1 258275006 573273948 /nfs/dbraw/zinc/27/39/48/573273948.db2.gz YBSRCJOAHBAJLV-ZETCQYMHSA-N 0 0 193.202 1.858 10 0 ADAERN CCSCc1cn(C)c(C)n1 257987657 573273962 /nfs/dbraw/zinc/27/39/62/573273962.db2.gz BFDYXQXEIFSNRV-UHFFFAOYSA-N 0 0 170.281 1.982 10 0 ADAERN CCC(=O)CN1C[C@@H](C)OC[C@@H]1CC 50179924 573273964 /nfs/dbraw/zinc/27/39/64/573273964.db2.gz RRPQPSOVKIUGJQ-ZJUUUORDSA-N 0 0 199.294 1.465 10 0 ADAERN C/C(=C/C(=O)N1CCCO1)C1CC1 308338156 573273970 /nfs/dbraw/zinc/27/39/70/573273970.db2.gz PGAQLNDVABVHMP-FPLPWBNLSA-N 0 0 181.235 1.507 10 0 ADAERN CCC[C@H](NN)[C@@]1(C)CCCO1 129255225 573273999 /nfs/dbraw/zinc/27/39/99/573273999.db2.gz MBBJKQIXQNEEJA-DTWKUNHWSA-N 0 0 172.272 1.188 10 0 ADAERN CCC(=O)CN(C)Cc1ccncc1 50180299 573274000 /nfs/dbraw/zinc/27/40/00/573274000.db2.gz WWXAWEHZGQJGFO-UHFFFAOYSA-N 0 0 192.262 1.493 10 0 ADAERN CCC(=O)c1cncc(C)n1 142435831 573274002 /nfs/dbraw/zinc/27/40/02/573274002.db2.gz QKUWGCDYBJPZBM-UHFFFAOYSA-N 0 0 150.181 1.378 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)OCC1CC1 308338123 573274008 /nfs/dbraw/zinc/27/40/08/573274008.db2.gz PDLQGZHYEXTNBR-APPZFPTMSA-N 0 0 183.251 1.779 10 0 ADAERN C[C@H](NO)[C@H](O)CCc1ccccc1 238428167 573274029 /nfs/dbraw/zinc/27/40/29/573274029.db2.gz DGYXPVIVFJCYEV-GXSJLCMTSA-N 0 0 195.262 1.347 10 0 ADAERN Nc1nnsc1CN1CCCCC1 257987283 573274159 /nfs/dbraw/zinc/27/41/59/573274159.db2.gz XQCHDDUPVWQIKP-UHFFFAOYSA-N 0 0 198.295 1.106 10 0 ADAERN CC[C@H]1Nc2ccc(F)cc2NC1=O 86158861 573274163 /nfs/dbraw/zinc/27/41/63/573274163.db2.gz CDVZSGBUJGMLPY-SSDOTTSWSA-N 0 0 194.209 1.968 10 0 ADAERN C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1F 238329801 573274191 /nfs/dbraw/zinc/27/41/91/573274191.db2.gz XYGZRACHRLKBNP-ZCFIWIBFSA-N 0 0 197.209 1.804 10 0 ADAERN CC[C@H]1Nc2cccc(F)c2NC1=O 86158853 573274203 /nfs/dbraw/zinc/27/42/03/573274203.db2.gz MCKXKZNFLMQYEV-SSDOTTSWSA-N 0 0 194.209 1.968 10 0 ADAERN Cc1ccc(-n2[nH]c(N)cc2=O)cc1 105698979 573274221 /nfs/dbraw/zinc/27/42/21/573274221.db2.gz KZPREWIHMHFUGN-UHFFFAOYSA-N 0 0 189.218 1.469 10 0 ADAERN CC(=O)Cc1cc(O)c(C)cc1O 257988664 573274223 /nfs/dbraw/zinc/27/42/23/573274223.db2.gz KKLUJKTXRYSWPN-UHFFFAOYSA-N 0 0 180.203 1.538 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)Cc1ccccc1 690032616 573274231 /nfs/dbraw/zinc/27/42/31/573274231.db2.gz PCOYANDDSJDGHB-QJPTWQEYSA-N 0 0 192.258 1.625 10 0 ADAERN CCC(=O)COC[C@@H]1CCOC1 50181636 573274241 /nfs/dbraw/zinc/27/42/41/573274241.db2.gz IZPBFNQLVSPHNE-MRVPVSSYSA-N 0 0 172.224 1.019 10 0 ADAERN C/C=C(/CC)C(=O)OCCOCC 393580073 573274245 /nfs/dbraw/zinc/27/42/45/573274245.db2.gz GAEMRWKRIGYKQW-WTKPLQERSA-N 0 0 186.251 1.922 10 0 ADAERN CCSCc1cc(NN)ccn1 86135772 573274251 /nfs/dbraw/zinc/27/42/51/573274251.db2.gz FNMKRAQDCZGEJQ-UHFFFAOYSA-N 0 0 183.280 1.620 10 0 ADAERN CONCc1cc(C)c(C)c(OC)c1 257989316 573274292 /nfs/dbraw/zinc/27/42/92/573274292.db2.gz FKDGAKFZNBMFOI-UHFFFAOYSA-N 0 0 195.262 1.963 10 0 ADAERN CNc1cc(NC)c(O)cc1O 238329571 573274314 /nfs/dbraw/zinc/27/43/14/573274314.db2.gz NHUQFISHBPPUJU-UHFFFAOYSA-N 0 0 168.196 1.181 10 0 ADAERN C/C=C/C(=O)NN1[C@@H](C)CCC[C@@H]1C 105658782 573274316 /nfs/dbraw/zinc/27/43/16/573274316.db2.gz NDXCUPHEUZOSHL-ROSDIQCESA-N 0 0 196.294 1.857 10 0 ADAERN C[C@H]1CNc2ccc(F)cc2NC1=O 86159042 573274330 /nfs/dbraw/zinc/27/43/30/573274330.db2.gz GUHZJUVMBOIUAG-LURJTMIESA-N 0 0 194.209 1.826 10 0 ADAERN CNC1(c2ccc(F)c(F)c2)COC1 259063299 573274384 /nfs/dbraw/zinc/27/43/84/573274384.db2.gz BMQNRDAUQARHIR-UHFFFAOYSA-N 0 0 199.200 1.410 10 0 ADAERN COC(=O)[C@H](O)c1cccc(F)c1C 257986966 573274392 /nfs/dbraw/zinc/27/43/92/573274392.db2.gz FECFWYDKFUZVID-SECBINFHSA-N 0 0 198.193 1.341 10 0 ADAERN COc1c(O)cc(CON)c(C)c1C 257987032 573274396 /nfs/dbraw/zinc/27/43/96/573274396.db2.gz FGOSHKFVVARLQD-UHFFFAOYSA-N 0 0 197.234 1.408 10 0 ADAERN Clc1ccnc(Cn2ccnc2)c1 86130276 573274407 /nfs/dbraw/zinc/27/44/07/573274407.db2.gz USSJRWVVBGVAOL-UHFFFAOYSA-N 0 0 193.637 1.980 10 0 ADAERN COc1ccc(CCO)c(O)c1C 257989314 573274428 /nfs/dbraw/zinc/27/44/28/573274428.db2.gz FJXUZSYWIMVEPN-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN C[C@@H]1CC(=O)Nc2ccc(F)cc2N1 86158807 573274435 /nfs/dbraw/zinc/27/44/35/573274435.db2.gz NXTUUKAABQENSG-ZCFIWIBFSA-N 0 0 194.209 1.968 10 0 ADAERN CC(C)[C@]1(O)CC[C@@H](C)OC1 401957608 573274457 /nfs/dbraw/zinc/27/44/57/573274457.db2.gz QJEZCHYDSUPTMM-BDAKNGLRSA-N 0 0 158.241 1.572 10 0 ADAERN O=C1Nc2ccccc2NC12CC2 86158625 573274460 /nfs/dbraw/zinc/27/44/60/573274460.db2.gz ICLSNQFWCNQLMM-UHFFFAOYSA-N 0 0 174.203 1.583 10 0 ADAERN Cc1cc2ccc(CON)cc2[nH]1 258276038 573274483 /nfs/dbraw/zinc/27/44/83/573274483.db2.gz ZILWMSOHUFDXME-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN CCC(=O)CN(C)Cc1ccco1 50180284 573274493 /nfs/dbraw/zinc/27/44/93/573274493.db2.gz NOCYHOACAVFOFO-UHFFFAOYSA-N 0 0 181.235 1.691 10 0 ADAERN C[C@@H]1CC(=O)Nc2cc(F)ccc2N1 86158809 573274501 /nfs/dbraw/zinc/27/45/01/573274501.db2.gz FDLVFVYWOIOQSU-ZCFIWIBFSA-N 0 0 194.209 1.968 10 0 ADAERN CC(C)c1nc2ncn(C)c(N)c-2n1 105600535 573274503 /nfs/dbraw/zinc/27/45/03/573274503.db2.gz TYEALLVILXUQLR-UHFFFAOYSA-N 0 0 191.238 1.021 10 0 ADAERN CCC(=O)COCCOC(C)C 50181165 573274506 /nfs/dbraw/zinc/27/45/06/573274506.db2.gz GGWCWYJOXYCVKS-UHFFFAOYSA-N 0 0 174.240 1.407 10 0 ADAERN CC[C@@H]1C(=O)Nc2ccccc2N1C 86158628 573274507 /nfs/dbraw/zinc/27/45/07/573274507.db2.gz NIONRAMBPBGUGN-SECBINFHSA-N 0 0 190.246 1.854 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)Cc1ccccc1 690032626 573274513 /nfs/dbraw/zinc/27/45/13/573274513.db2.gz PCOYANDDSJDGHB-SDDRHHMPSA-N 0 0 192.258 1.625 10 0 ADAERN CN1CCc2c1cccc2C1(O)CC1 257989356 573274526 /nfs/dbraw/zinc/27/45/26/573274526.db2.gz FMIZSWYALTWSQC-UHFFFAOYSA-N 0 0 189.258 1.660 10 0 ADAERN C[C@H]1C(=O)Nc2ccc(F)cc2N1C 86159012 573274585 /nfs/dbraw/zinc/27/45/85/573274585.db2.gz GTCFWTNVUUQAEU-LURJTMIESA-N 0 0 194.209 1.603 10 0 ADAERN CCCN1C(=O)N[C@@H]2CCC[C@@H]2C1=O 82919095 573274590 /nfs/dbraw/zinc/27/45/90/573274590.db2.gz ZARJRBKRPGHWAK-JGVFFNPUSA-N 0 0 196.250 1.117 10 0 ADAERN Cc1ccc(N[C@@H](CO)C(C)C)nc1 86126581 573274591 /nfs/dbraw/zinc/27/45/91/573274591.db2.gz NQUPDRHPEMJCNC-JTQLQIEISA-N 0 0 194.278 1.819 10 0 ADAERN COC(=O)CNC[C@@H]1CCCC[C@@H]1C 42863296 573274594 /nfs/dbraw/zinc/27/45/94/573274594.db2.gz YOYAZGOJSFGGPY-UWVGGRQHSA-N 0 0 199.294 1.575 10 0 ADAERN CC(=O)[C@@H]1Cc2c(C)cccc2N1 258276369 573274613 /nfs/dbraw/zinc/27/46/13/573274613.db2.gz SVAOOJDOZSDBTP-NSHDSACASA-N 0 0 175.231 1.921 10 0 ADAERN CSCc1cc(NN)ccn1 86135817 573274628 /nfs/dbraw/zinc/27/46/28/573274628.db2.gz JWQLFGPZMPJTGG-UHFFFAOYSA-N 0 0 169.253 1.230 10 0 ADAERN CCC(=O)CN(C)Cc1ccoc1 50180469 573274667 /nfs/dbraw/zinc/27/46/67/573274667.db2.gz HSNPFWRYLWJQSN-UHFFFAOYSA-N 0 0 181.235 1.691 10 0 ADAERN COCC1(C[C@@H](O)C2CC2)CCC1 308339913 573274669 /nfs/dbraw/zinc/27/46/69/573274669.db2.gz QJJKNSJTYKLDAX-SNVBAGLBSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@@H]1CC(=O)C[C@@H](c2cncs2)N1 74241532 573274709 /nfs/dbraw/zinc/27/47/09/573274709.db2.gz KCMMDQDVKUIXND-SVRRBLITSA-N 0 0 196.275 1.525 10 0 ADAERN COCc1cc(CNO)cc(OC)c1 257989259 573274713 /nfs/dbraw/zinc/27/47/13/573274713.db2.gz FIDFTADYQVXDQH-UHFFFAOYSA-N 0 0 197.234 1.320 10 0 ADAERN CC(C)(C)[C@H]1CC(=O)N[C@H]1CCCO 215121469 573274721 /nfs/dbraw/zinc/27/47/21/573274721.db2.gz CACWCVBLILOKSM-IUCAKERBSA-N 0 0 199.294 1.310 10 0 ADAERN CCC(=O)CN(C)C[C@H]1CCCCO1 50179946 573274728 /nfs/dbraw/zinc/27/47/28/573274728.db2.gz NRNFJLAPYCVYJX-LLVKDONJSA-N 0 0 199.294 1.466 10 0 ADAERN CC1(C)CC[C@@H]2[NH2+][C@@H](C(=O)[O-])C[C@@H]2C1 74239462 573274758 /nfs/dbraw/zinc/27/47/58/573274758.db2.gz POSFSZIGFDAXIA-HRDYMLBCSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)NCC(F)F 393579818 573274792 /nfs/dbraw/zinc/27/47/92/573274792.db2.gz FXOLMFVRYQEPHS-NTSWFWBYSA-N 0 0 192.209 1.207 10 0 ADAERN COc1c(CO)cccc1CCCO 257987034 573274799 /nfs/dbraw/zinc/27/47/99/573274799.db2.gz FGPPHQJFMXRHFM-UHFFFAOYSA-N 0 0 196.246 1.112 10 0 ADAERN C[C@H](O)Cc1cc(F)ccc1C=O 257984772 573274816 /nfs/dbraw/zinc/27/48/16/573274816.db2.gz FARKVOFZGIZYFZ-ZETCQYMHSA-N 0 0 182.194 1.562 10 0 ADAERN CONCc1ccc(C)c(OC)c1C 257989278 573274822 /nfs/dbraw/zinc/27/48/22/573274822.db2.gz FIKWCMYGXVRJEJ-UHFFFAOYSA-N 0 0 195.262 1.963 10 0 ADAERN COC(=O)CNC[C@H]1CCCC[C@H]1C 42863288 573274823 /nfs/dbraw/zinc/27/48/23/573274823.db2.gz YOYAZGOJSFGGPY-NXEZZACHSA-N 0 0 199.294 1.575 10 0 ADAERN ONCc1ccccc1OCC1CC1 257986958 573274835 /nfs/dbraw/zinc/27/48/35/573274835.db2.gz FDTSFAQUCOBCDU-UHFFFAOYSA-N 0 0 193.246 1.954 10 0 ADAERN CN1c2ncccc2OC(C)(C)[C@@H]1O 238330560 573274842 /nfs/dbraw/zinc/27/48/42/573274842.db2.gz GGZZFCAZHFXMCK-VIFPVBQESA-N 0 0 194.234 1.007 10 0 ADAERN Cn1ccc(NC2CCC(O)CC2)n1 236094669 573274856 /nfs/dbraw/zinc/27/48/56/573274856.db2.gz XTTWWLRFCARQOJ-UHFFFAOYSA-N 0 0 195.266 1.136 10 0 ADAERN O=C([O-])C[C@H]1CCC[C@H]1[NH+]1CCCC1 74239447 573274871 /nfs/dbraw/zinc/27/48/71/573274871.db2.gz CZLMFQYQWBXJEC-NXEZZACHSA-N 0 0 197.278 1.726 10 0 ADAERN CC(=O)[C@@H]1Cc2c(O)cccc2N1 257986931 573274900 /nfs/dbraw/zinc/27/49/00/573274900.db2.gz BCNUWGAZYVAVKG-VIFPVBQESA-N 0 0 177.203 1.318 10 0 ADAERN C[N@@H+]1CC=C(CO)[C@H]1c1ccccc1 238330835 573274901 /nfs/dbraw/zinc/27/49/01/573274901.db2.gz ZOLLLQSMVXGIER-GFCCVEGCSA-N 0 0 189.258 1.592 10 0 ADAERN COc1cc(CCO)cc2ccoc12 257991315 573276260 /nfs/dbraw/zinc/27/62/60/573276260.db2.gz FOGAJLUIYVWHRI-UHFFFAOYSA-N 0 0 192.214 1.976 10 0 ADAERN O=C(S)N1CCCC(F)(F)C1 259401508 573276282 /nfs/dbraw/zinc/27/62/82/573276282.db2.gz HTVPCUIMDPFFQH-UHFFFAOYSA-N 0 0 181.207 1.767 10 0 ADAERN Cc1nc(Cl)c2n1[C@H](O)CCC2 258276328 573276296 /nfs/dbraw/zinc/27/62/96/573276296.db2.gz MZUHCHHTPDOHGZ-SSDOTTSWSA-N 0 0 186.642 1.672 10 0 ADAERN Nc1cc(-c2cc(O)ccc2F)no1 257991350 573276299 /nfs/dbraw/zinc/27/62/99/573276299.db2.gz FOZKURNNBJKBAB-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN C[NH2+][C@H](C)c1cc(F)cc(C(=O)[O-])c1 238331441 573276300 /nfs/dbraw/zinc/27/63/00/573276300.db2.gz VMLGMOORSFWBTQ-ZCFIWIBFSA-N 0 0 197.209 1.804 10 0 ADAERN Cn1cnc([C@@H](O)C2=CCCCC2)c1 236097728 573276303 /nfs/dbraw/zinc/27/63/03/573276303.db2.gz KCXMGCYABGUTKJ-NSHDSACASA-N 0 0 192.262 1.954 10 0 ADAERN COC(=O)CNC[C@H]1CCCC[C@@H]1C 42863291 573276324 /nfs/dbraw/zinc/27/63/24/573276324.db2.gz YOYAZGOJSFGGPY-VHSXEESVSA-N 0 0 199.294 1.575 10 0 ADAERN CCC(=O)COc1ccc(C=O)cc1 50181927 573276333 /nfs/dbraw/zinc/27/63/33/573276333.db2.gz XIUUDYGIDOYFCW-UHFFFAOYSA-N 0 0 192.214 1.857 10 0 ADAERN CCOC(=O)c1nc(CC(C)C)c[nH]1 259064249 573276357 /nfs/dbraw/zinc/27/63/57/573276357.db2.gz KAXPRCVZSFWVOB-UHFFFAOYSA-N 0 0 196.250 1.785 10 0 ADAERN COC[C@@H]1CCCC[C@@H]1NC(C)=O 238330284 573276389 /nfs/dbraw/zinc/27/63/89/573276389.db2.gz SKWNIBCMENLIJX-UWVGGRQHSA-N 0 0 185.267 1.328 10 0 ADAERN CCCn1c(N)nc2c(C)ccnc21 86160518 573276405 /nfs/dbraw/zinc/27/64/05/573276405.db2.gz BEKWLDWBZFSFFO-UHFFFAOYSA-N 0 0 190.250 1.732 10 0 ADAERN CC(=O)NC(=O)CC1CCCCC1 142495419 573276410 /nfs/dbraw/zinc/27/64/10/573276410.db2.gz KQAGKUTVBOPZCI-UHFFFAOYSA-N 0 0 183.251 1.620 10 0 ADAERN CC(C)(C)C[C@H]1CCNC(=O)[C@H]1CO 215122311 573276418 /nfs/dbraw/zinc/27/64/18/573276418.db2.gz ASMKLVTXTOLYQM-BDAKNGLRSA-N 0 0 199.294 1.167 10 0 ADAERN CN1c2ccc(Cl)cc2N(C)[C@@H]1O 238330917 573276426 /nfs/dbraw/zinc/27/64/26/573276426.db2.gz HKOIKJGACFILKU-SECBINFHSA-N 0 0 198.653 1.502 10 0 ADAERN CCC(=O)[C@@H]1CCO[C@H](C)C1 86161640 573276433 /nfs/dbraw/zinc/27/64/33/573276433.db2.gz PYJXLANGELAYQE-HTQZYQBOSA-N 0 0 156.225 1.781 10 0 ADAERN CC[C@H]1NCN([C@@H](C)CC2CC2)C1=O 126039867 573276449 /nfs/dbraw/zinc/27/64/49/573276449.db2.gz CEZREHLLBWZZFR-WCBMZHEXSA-N 0 0 196.294 1.343 10 0 ADAERN CN(C)c1ccc2c(c1)[C@@H](O)CC2 238330627 573276455 /nfs/dbraw/zinc/27/64/55/573276455.db2.gz NGUILPUTVNQAIR-NSHDSACASA-N 0 0 177.247 1.732 10 0 ADAERN C[C@H]1CC(=O)C[C@@H](c2ccns2)N1 74241541 573276457 /nfs/dbraw/zinc/27/64/57/573276457.db2.gz LQEQFAGIJKFOQM-XPUUQOCRSA-N 0 0 196.275 1.525 10 0 ADAERN Cc1ccc2c(c1)[C@@H](CON)CN2C 257990747 573276474 /nfs/dbraw/zinc/27/64/74/573276474.db2.gz HTSLWLRBQWZYOC-SECBINFHSA-N 0 0 192.262 1.419 10 0 ADAERN CC[C@@H](C)n1c(N)nc2cccnc21 86159977 573276502 /nfs/dbraw/zinc/27/65/02/573276502.db2.gz HFWZXBLWCNYSGZ-SSDOTTSWSA-N 0 0 190.250 1.985 10 0 ADAERN CC[C@@H](O)COCCOC(C)C 50182199 573276503 /nfs/dbraw/zinc/27/65/03/573276503.db2.gz YRGILTAAVZXSIB-SECBINFHSA-N 0 0 176.256 1.199 10 0 ADAERN CC(C)N1N=C2CCCC2C1=O 116396785 573276532 /nfs/dbraw/zinc/27/65/32/573276532.db2.gz CIUHJIOTULNSOM-UHFFFAOYSA-N 0 0 166.224 1.658 10 0 ADAERN Cc1nn(C)c2c1nc(N)n2C(C)C 86160288 573276568 /nfs/dbraw/zinc/27/65/68/573276568.db2.gz LUDZHKRWDIUUJT-UHFFFAOYSA-N 0 0 193.254 1.241 10 0 ADAERN Cn1cc([C@H](O)[C@H]2CC2(C)C)cn1 236096124 573276579 /nfs/dbraw/zinc/27/65/79/573276579.db2.gz ABUIDUOPEHKWKH-BDAKNGLRSA-N 0 0 180.251 1.500 10 0 ADAERN Cc1cc2nnnn2c2ccc(N)cc12 257990297 573276581 /nfs/dbraw/zinc/27/65/81/573276581.db2.gz FHFDMENISVCLGX-UHFFFAOYSA-N 0 0 199.217 1.168 10 0 ADAERN CC(C)(C)C[C@@H]1CC(=O)NC[C@@H]1CO 215121958 573276593 /nfs/dbraw/zinc/27/65/93/573276593.db2.gz PTKMGJNQKYWADO-DTWKUNHWSA-N 0 0 199.294 1.167 10 0 ADAERN CONCc1ccc2ccncc2c1 257991488 573276635 /nfs/dbraw/zinc/27/66/35/573276635.db2.gz FRHBEYOBADGZEJ-UHFFFAOYSA-N 0 0 188.230 1.886 10 0 ADAERN CC[C@H](C)n1c(N)nc2cnccc21 86159557 573276639 /nfs/dbraw/zinc/27/66/39/573276639.db2.gz UZDIMIRUKOGLOQ-ZETCQYMHSA-N 0 0 190.250 1.985 10 0 ADAERN NCc1nc([C@H]2CCCSC2)co1 257990332 573276643 /nfs/dbraw/zinc/27/66/43/573276643.db2.gz FIGHXZGQYBBBMG-ZETCQYMHSA-N 0 0 198.291 1.744 10 0 ADAERN Cn1cnc([C@@H](O)C2=COCCC2)c1 236097810 573276649 /nfs/dbraw/zinc/27/66/49/573276649.db2.gz UUKZPDVENAHUPP-JTQLQIEISA-N 0 0 194.234 1.148 10 0 ADAERN C[C@H]1CNc2ncccc2NC1=O 86160181 573276657 /nfs/dbraw/zinc/27/66/57/573276657.db2.gz PQNJAEILYLDAQZ-LURJTMIESA-N 0 0 177.207 1.082 10 0 ADAERN COc1ccc(C=O)c([C@H](C)CO)c1 257991288 573276663 /nfs/dbraw/zinc/27/66/63/573276663.db2.gz FMPKVLNFHYOOMM-MRVPVSSYSA-N 0 0 194.230 1.604 10 0 ADAERN C[C@@H]1CC(=O)C[C@H](c2ccns2)N1 74241536 573276678 /nfs/dbraw/zinc/27/66/78/573276678.db2.gz LQEQFAGIJKFOQM-HTRCEHHLSA-N 0 0 196.275 1.525 10 0 ADAERN Cc1cnc2c(c1)NC(=O)[C@@H](C)N2 86160805 573276684 /nfs/dbraw/zinc/27/66/84/573276684.db2.gz ZPUDTIKHJCCYIQ-ZCFIWIBFSA-N 0 0 177.207 1.143 10 0 ADAERN COC(=O)CCCCC/C=C\CO 215122859 573276698 /nfs/dbraw/zinc/27/66/98/573276698.db2.gz KEPRCECKOPYMDQ-ALCCZGGFSA-N 0 0 186.251 1.658 10 0 ADAERN CNC(=O)[C@H]1CC[C@@H](C)[C@@H]1C 238330826 573276700 /nfs/dbraw/zinc/27/67/00/573276700.db2.gz NQYBCHNSHQYMJG-CSMHCCOUSA-N 0 0 155.241 1.415 10 0 ADAERN CCCN1C(=O)N[C@H]2CCC[C@H]2C1=O 82919092 573276715 /nfs/dbraw/zinc/27/67/15/573276715.db2.gz ZARJRBKRPGHWAK-SFYZADRCSA-N 0 0 196.250 1.117 10 0 ADAERN CCc1cc(F)cnc1CO 238331528 573276735 /nfs/dbraw/zinc/27/67/35/573276735.db2.gz HUXJTGWXRGYCCC-UHFFFAOYSA-N 0 0 155.172 1.275 10 0 ADAERN CC[C@H]1CNc2ncccc2NC1=O 86160196 573276740 /nfs/dbraw/zinc/27/67/40/573276740.db2.gz GILGCRNFKZIIKB-ZETCQYMHSA-N 0 0 191.234 1.472 10 0 ADAERN Cc1ccc2[nH]c(=O)n(C3CC3)c2c1 258275819 573276746 /nfs/dbraw/zinc/27/67/46/573276746.db2.gz ZGUJSMZWXGOVLX-UHFFFAOYSA-N 0 0 188.230 1.973 10 0 ADAERN C[C@H]1CC(=O)C[C@@H](c2nccs2)N1 74241528 573276761 /nfs/dbraw/zinc/27/67/61/573276761.db2.gz MWRHZRFLEFGGAE-XPUUQOCRSA-N 0 0 196.275 1.525 10 0 ADAERN C[C@@H](CO)c1ccc(F)cc1O 257990913 573276766 /nfs/dbraw/zinc/27/67/66/573276766.db2.gz KRNPDGIXZZHGCE-LURJTMIESA-N 0 0 170.183 1.627 10 0 ADAERN CC[C@H](C)n1c(N)nc2cccnc21 86159978 573276769 /nfs/dbraw/zinc/27/67/69/573276769.db2.gz HFWZXBLWCNYSGZ-ZETCQYMHSA-N 0 0 190.250 1.985 10 0 ADAERN CCn1c(=S)[nH]c2c(C)nn(C)c21 86160247 573276784 /nfs/dbraw/zinc/27/67/84/573276784.db2.gz ZNYAUDPQENSPDJ-UHFFFAOYSA-N 0 0 196.279 1.761 10 0 ADAERN Cc1nsc2c1C(=O)C[C@@H](CO)C2 74239641 573276790 /nfs/dbraw/zinc/27/67/90/573276790.db2.gz HOUBYIICNHBRDO-ZCFIWIBFSA-N 0 0 197.259 1.189 10 0 ADAERN CN(C)c1ccc2c(c1)OCC2 238330582 573276799 /nfs/dbraw/zinc/27/67/99/573276799.db2.gz ZYDJQKUCPIFLFA-UHFFFAOYSA-N 0 0 163.220 1.688 10 0 ADAERN CCOC(=O)CC[C@@H]1CCO1 259605654 573276809 /nfs/dbraw/zinc/27/68/09/573276809.db2.gz MLFWKSIQOXAZMR-SSDOTTSWSA-N 0 0 158.197 1.119 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H](C2CCCC2)CC[NH2+]1 74239433 573276824 /nfs/dbraw/zinc/27/68/24/573276824.db2.gz XFGACZRBBRFWKG-UWVGGRQHSA-N 0 0 197.278 1.629 10 0 ADAERN C[C@H](CO)c1ccc(F)cc1O 257990925 573276826 /nfs/dbraw/zinc/27/68/26/573276826.db2.gz KRNPDGIXZZHGCE-ZCFIWIBFSA-N 0 0 170.183 1.627 10 0 ADAERN Cc1ccc2c(c1)N(C)[C@H](O)N2C 238330894 573276831 /nfs/dbraw/zinc/27/68/31/573276831.db2.gz ZRHTXZLSIRMQJP-SNVBAGLBSA-N 0 0 178.235 1.157 10 0 ADAERN NCc1nc([C@@H]2CCCSC2)co1 257990330 573276838 /nfs/dbraw/zinc/27/68/38/573276838.db2.gz FIGHXZGQYBBBMG-SSDOTTSWSA-N 0 0 198.291 1.744 10 0 ADAERN Cc1ccnc2c1NC(=O)C[C@@H](C)N2 86160600 573276843 /nfs/dbraw/zinc/27/68/43/573276843.db2.gz RYPFDTRPICWVQN-SSDOTTSWSA-N 0 0 191.234 1.533 10 0 ADAERN CCCNC(=O)Cn1cc(C)c(C)c1 308536579 573276847 /nfs/dbraw/zinc/27/68/47/573276847.db2.gz LNAIGVXURGEWEA-UHFFFAOYSA-N 0 0 194.278 1.631 10 0 ADAERN C[C@@H]1C[C@@H]1n1c(N)nc2cnccc21 86159621 573276856 /nfs/dbraw/zinc/27/68/56/573276856.db2.gz ZBWVSVMMVLRMCK-MUWHJKNJSA-N 0 0 188.234 1.594 10 0 ADAERN CC(C)CCCN[C@@H]1C[C@H](C)OC1=O 308536632 573276863 /nfs/dbraw/zinc/27/68/63/573276863.db2.gz SRBFFTXJUYCSSF-VHSXEESVSA-N 0 0 199.294 1.716 10 0 ADAERN CCCn1c(N)nc2c(C)nn(C)c21 86160304 573276872 /nfs/dbraw/zinc/27/68/72/573276872.db2.gz CPLTVQMLMOZFJH-UHFFFAOYSA-N 0 0 193.254 1.070 10 0 ADAERN O=C([O-])[C@@H]1C[C@H](C2CCCC2)CC[NH2+]1 74239432 573276891 /nfs/dbraw/zinc/27/68/91/573276891.db2.gz XFGACZRBBRFWKG-ZJUUUORDSA-N 0 0 197.278 1.629 10 0 ADAERN CNOc1ccc(C)cc1 257990579 573276900 /nfs/dbraw/zinc/27/69/00/573276900.db2.gz PMOCSHWYJLRYIS-UHFFFAOYSA-N 0 0 137.182 1.508 10 0 ADAERN Cc1cnc2c(c1)nc(N)n2C(C)C 86160720 573276909 /nfs/dbraw/zinc/27/69/09/573276909.db2.gz TUDIMEDJGCHFBO-UHFFFAOYSA-N 0 0 190.250 1.903 10 0 ADAERN CC[C@@H](O)COCCC(C)C 50182177 573276933 /nfs/dbraw/zinc/27/69/33/573276933.db2.gz ZXNDSJCUJHSAJR-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN O=C([O-])[C@H]1C[C@H](C2CCCC2)CC[NH2+]1 74239435 573276967 /nfs/dbraw/zinc/27/69/67/573276967.db2.gz XFGACZRBBRFWKG-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN CC(C)OCSC[C@H](C)CO 393582063 573291451 /nfs/dbraw/zinc/29/14/51/573291451.db2.gz JNMDOIPFKUHLRV-MRVPVSSYSA-N 0 0 178.297 1.731 10 0 ADAERN Cn1cc(C[C@@H]2CCCC(=O)C2)nn1 236117648 573291461 /nfs/dbraw/zinc/29/14/61/573291461.db2.gz RWBUOZKDIPCIPN-QMMMGPOBSA-N 0 0 193.250 1.117 10 0 ADAERN CC(C)Cc1nc2c(o1)C[C@H](O)CC2 257989018 573291478 /nfs/dbraw/zinc/29/14/78/573291478.db2.gz OAMGWRMZGITEFV-MRVPVSSYSA-N 0 0 195.262 1.723 10 0 ADAERN CCc1cc(O)c(F)c(C(=O)NC)c1 238335230 573291483 /nfs/dbraw/zinc/29/14/83/573291483.db2.gz DBFYXOHTMUCLBB-UHFFFAOYSA-N 0 0 197.209 1.453 10 0 ADAERN COCc1ccc(C)cc1O 238325749 573291499 /nfs/dbraw/zinc/29/14/99/573291499.db2.gz FIUNCOUEWAGDTH-UHFFFAOYSA-N 0 0 152.193 1.847 10 0 ADAERN C/C=C1/CCCC[C@@H]1O 197029080 573291504 /nfs/dbraw/zinc/29/15/04/573291504.db2.gz VTPHADFIQHXWNS-CDETVPHDSA-N 0 0 126.199 1.868 10 0 ADAERN CC[C@H]1C(=O)NC(=O)CC1(CC)CC 86191931 573291509 /nfs/dbraw/zinc/29/15/09/573291509.db2.gz CGKAUGQEOLIIIN-QMMMGPOBSA-N 0 0 197.278 1.866 10 0 ADAERN CCC[C@@]1(C)CC(=O)NC(=O)[C@@H]1CC 86191945 573291530 /nfs/dbraw/zinc/29/15/30/573291530.db2.gz MQYXZWAWJPXWMZ-KWQFWETISA-N 0 0 197.278 1.866 10 0 ADAERN COC(=O)c1cc(-c2ncco2)no1 259406068 573291545 /nfs/dbraw/zinc/29/15/45/573291545.db2.gz HIRDIIYJKLRYKY-UHFFFAOYSA-N 0 0 194.146 1.116 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@@]1(C)CC 86192008 573291573 /nfs/dbraw/zinc/29/15/73/573291573.db2.gz XNOMNUJUGIYFIF-GMSGAONNSA-N 0 0 183.251 1.475 10 0 ADAERN Cn1ccc([C@H](O)C2=CCCCC2)n1 236111808 573291608 /nfs/dbraw/zinc/29/16/08/573291608.db2.gz SZLVTNHGCQUBSF-LLVKDONJSA-N 0 0 192.262 1.954 10 0 ADAERN CC[C@@H]1C(=O)NC(=O)C[C@]1(C)CC 86192010 573291627 /nfs/dbraw/zinc/29/16/27/573291627.db2.gz XNOMNUJUGIYFIF-XCBNKYQSSA-N 0 0 183.251 1.475 10 0 ADAERN CCSCC[C@@H]1CCCNC1=O 132368776 573291646 /nfs/dbraw/zinc/29/16/46/573291646.db2.gz VYHYPHUXKYGWOH-QMMMGPOBSA-N 0 0 187.308 1.656 10 0 ADAERN CN(C)c1cc(-c2ccccn2)no1 238325438 573291648 /nfs/dbraw/zinc/29/16/48/573291648.db2.gz AXBLBZMEMSEGCW-UHFFFAOYSA-N 0 0 189.218 1.803 10 0 ADAERN COC(=O)c1cc(OC)cc(N)c1F 116518880 573291656 /nfs/dbraw/zinc/29/16/56/573291656.db2.gz IFWDTUCSXTUZHZ-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN Cc1c(-c2ccc(N(C)C)cc2)c1=O 258621669 573291663 /nfs/dbraw/zinc/29/16/63/573291663.db2.gz BLPUXWQYBHPIAF-UHFFFAOYSA-N 0 0 187.242 1.964 10 0 ADAERN Cc1ccccc1[C@@H]1CCNO1 258622418 573291673 /nfs/dbraw/zinc/29/16/73/573291673.db2.gz WTKNVEIKPPNGOL-JTQLQIEISA-N 0 0 163.220 1.961 10 0 ADAERN Oc1cccc(O)c1C1(O)CCCC1 259406686 573291715 /nfs/dbraw/zinc/29/17/15/573291715.db2.gz IQYPGHTWGOAIEF-UHFFFAOYSA-N 0 0 194.230 1.859 10 0 ADAERN CC[C@H]1C(=O)NC(=O)CC1(C)C 86192025 573291730 /nfs/dbraw/zinc/29/17/30/573291730.db2.gz UQAPKZPDUUICKR-LURJTMIESA-N 0 0 169.224 1.085 10 0 ADAERN COCc1ccc(=O)[nH]c1Cl 238324860 573291737 /nfs/dbraw/zinc/29/17/37/573291737.db2.gz HLZWXZDWXGZSKE-UHFFFAOYSA-N 0 0 173.599 1.175 10 0 ADAERN CCC[C@]1(C)CC(=O)NC(=O)[C@H]1CC 86191946 573291739 /nfs/dbraw/zinc/29/17/39/573291739.db2.gz MQYXZWAWJPXWMZ-LDYMZIIASA-N 0 0 197.278 1.866 10 0 ADAERN CC[C@H]1C(=O)NC(=O)CC12CCC2 86192027 573291750 /nfs/dbraw/zinc/29/17/50/573291750.db2.gz ORHFBXUOHZJEGR-ZETCQYMHSA-N 0 0 181.235 1.229 10 0 ADAERN COc1c(C=O)ccc(C)c1F 258622400 573291779 /nfs/dbraw/zinc/29/17/79/573291779.db2.gz WSVCHNOJVYGUCA-UHFFFAOYSA-N 0 0 168.167 1.955 10 0 ADAERN CCc1[nH]c(=O)[nH]c1C1CC1 258622423 573291818 /nfs/dbraw/zinc/29/18/18/573291818.db2.gz WTTIJWSMJPMIMN-UHFFFAOYSA-N 0 0 152.197 1.555 10 0 ADAERN CCc1cc(O)c(CO)cc1O 238335175 573291857 /nfs/dbraw/zinc/29/18/57/573291857.db2.gz CTEYXYWVEFRFQJ-UHFFFAOYSA-N 0 0 168.192 1.153 10 0 ADAERN CC(C)C(F)(F)CON 259406466 573291858 /nfs/dbraw/zinc/29/18/58/573291858.db2.gz SDUAPQYPDLEXQV-UHFFFAOYSA-N 0 0 139.145 1.168 10 0 ADAERN COCc1ccc(C)cc1N 238325732 573291865 /nfs/dbraw/zinc/29/18/65/573291865.db2.gz ZCCPKVJSCKCQHI-UHFFFAOYSA-N 0 0 151.209 1.724 10 0 ADAERN CC(C)C[C@@H]([NH3+])CC(C)(C)C(=O)[O-] 259404672 573291871 /nfs/dbraw/zinc/29/18/71/573291871.db2.gz OFOQOASYZNCBEL-MRVPVSSYSA-N 0 0 187.283 1.861 10 0 ADAERN c1nocc1OC[C@@H]1CCOC1 258622657 573291874 /nfs/dbraw/zinc/29/18/74/573291874.db2.gz RGTAGFFVRQTMNB-SSDOTTSWSA-N 0 0 169.180 1.090 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@]1(C)CC 86192011 573291880 /nfs/dbraw/zinc/29/18/80/573291880.db2.gz XNOMNUJUGIYFIF-XVKPBYJWSA-N 0 0 183.251 1.475 10 0 ADAERN COCc1ccc2c(c1)OCC2=O 238335212 573291899 /nfs/dbraw/zinc/29/18/99/573291899.db2.gz ZBPSJAUFSMSVSL-UHFFFAOYSA-N 0 0 178.187 1.408 10 0 ADAERN CCSCCC[C@H]1CCNC1=O 132371468 573291902 /nfs/dbraw/zinc/29/19/02/573291902.db2.gz IONRLRDWBQNEJV-QMMMGPOBSA-N 0 0 187.308 1.656 10 0 ADAERN OC[C@@H](CC1COC1)c1ccccn1 258621540 573291915 /nfs/dbraw/zinc/29/19/15/573291915.db2.gz QEAAKCCPFDYLRF-SNVBAGLBSA-N 0 0 193.246 1.194 10 0 ADAERN CC[C@H](C)[C@H]1CC(=O)NC(=O)[C@H]1CC 86191901 573291928 /nfs/dbraw/zinc/29/19/28/573291928.db2.gz OUOMGKPMSPCYJA-XHNCKOQMSA-N 0 0 197.278 1.721 10 0 ADAERN CSCCC[C@@H](CC[NH3+])C(=O)[O-] 132376438 573291987 /nfs/dbraw/zinc/29/19/87/573291987.db2.gz HWCIFCMAVNPVRY-ZETCQYMHSA-N 0 0 191.296 1.179 10 0 ADAERN Cc1cc2oc(C[NH3+])c([O-])c2c(C)n1 106094250 573292005 /nfs/dbraw/zinc/29/20/05/573292005.db2.gz KCYMTPOBSAIKJC-UHFFFAOYSA-N 0 0 192.218 1.609 10 0 ADAERN CC[C@H]1C(=O)NC(=O)C[C@H]1C(C)C 86192016 573292029 /nfs/dbraw/zinc/29/20/29/573292029.db2.gz KYZVYIDPGPOJRY-SFYZADRCSA-N 0 0 183.251 1.331 10 0 ADAERN CSCCC[C@@H]1CCCNC1=O 132369211 573292079 /nfs/dbraw/zinc/29/20/79/573292079.db2.gz CSLQAKVNBYWHFG-QMMMGPOBSA-N 0 0 187.308 1.656 10 0 ADAERN CN1C[C@](C)(CO)c2c(O)cccc21 238324670 573294979 /nfs/dbraw/zinc/29/49/79/573294979.db2.gz QRVKJFXPGPQHFF-LLVKDONJSA-N 0 0 193.246 1.092 10 0 ADAERN CC(C)(C)C1(CCO)COC1 259071381 573294317 /nfs/dbraw/zinc/29/43/17/573294317.db2.gz CFEIHQBBWXRRJB-UHFFFAOYSA-N 0 0 158.241 1.432 10 0 ADAERN NOCc1ccccc1-c1ncco1 257996780 573294326 /nfs/dbraw/zinc/29/43/26/573294326.db2.gz GDWSVWSMCWOPDM-UHFFFAOYSA-N 0 0 190.202 1.732 10 0 ADAERN Cn1cc(OC[C@H]2CCCS2)cn1 257995344 573294376 /nfs/dbraw/zinc/29/43/76/573294376.db2.gz AAYRHFQTGZBKNA-SECBINFHSA-N 0 0 198.291 1.695 10 0 ADAERN C[C@@H]1Cc2c(CON)cccc2N1 257997270 573294386 /nfs/dbraw/zinc/29/43/86/573294386.db2.gz IGSXIAVGHHHSAH-SSDOTTSWSA-N 0 0 178.235 1.433 10 0 ADAERN CCc1cncc(N)c1Cl 238325180 573294395 /nfs/dbraw/zinc/29/43/95/573294395.db2.gz KBYBECPWWARGEJ-UHFFFAOYSA-N 0 0 156.616 1.880 10 0 ADAERN CCCC[C@]1(O)C[C@@H]1C 86196863 573294397 /nfs/dbraw/zinc/29/43/97/573294397.db2.gz XQLAPCKMJWWSEM-YUMQZZPRSA-N 0 0 128.215 1.948 10 0 ADAERN CC(C)OCc1cc(N)on1 257996341 573294431 /nfs/dbraw/zinc/29/44/31/573294431.db2.gz YJXBCGAZEKSOQE-UHFFFAOYSA-N 0 0 156.185 1.182 10 0 ADAERN CC(C)(O)[C@@H]1Cc2cc(F)ccc2N1 258282112 573294448 /nfs/dbraw/zinc/29/44/48/573294448.db2.gz ZPSODXGNNPQQLA-JTQLQIEISA-N 0 0 195.237 1.933 10 0 ADAERN CC(C)(C)c1nc2c(O)cccn2n1 257995052 573294453 /nfs/dbraw/zinc/29/44/53/573294453.db2.gz OWJGDIBQAVDDSK-UHFFFAOYSA-N 0 0 191.234 1.732 10 0 ADAERN CCCOC[C@H](O)C1(OC)CCC1 132367585 573294461 /nfs/dbraw/zinc/29/44/61/573294461.db2.gz WVJANGFGMPIMDF-VIFPVBQESA-N 0 0 188.267 1.343 10 0 ADAERN Cc1cc(CCO)cc(O)c1C 257996949 573294494 /nfs/dbraw/zinc/29/44/94/573294494.db2.gz LHJFUOAFZWXPOA-UHFFFAOYSA-N 0 0 166.220 1.544 10 0 ADAERN CNC(=O)c1cc(C)c(OC)cc1C 259070282 573294499 /nfs/dbraw/zinc/29/44/99/573294499.db2.gz FEUFWELNAZVSKH-UHFFFAOYSA-N 0 0 193.246 1.672 10 0 ADAERN CCOCc1sncc1N 257998435 573294502 /nfs/dbraw/zinc/29/45/02/573294502.db2.gz YSDNWXHELBOOOM-UHFFFAOYSA-N 0 0 158.226 1.262 10 0 ADAERN CN1NCc2ccc(Cl)cc21 257995027 573294511 /nfs/dbraw/zinc/29/45/11/573294511.db2.gz LGFVREPBAAAQPI-UHFFFAOYSA-N 0 0 168.627 1.794 10 0 ADAERN Fc1cccc(SC2COC2)n1 86195393 573294520 /nfs/dbraw/zinc/29/45/20/573294520.db2.gz WIDDGZKTJIGKCK-UHFFFAOYSA-N 0 0 185.223 1.712 10 0 ADAERN COCC(=O)c1ccc(O)cc1C 238324671 573294535 /nfs/dbraw/zinc/29/45/35/573294535.db2.gz GFYHLEUDWIRGQB-UHFFFAOYSA-N 0 0 180.203 1.530 10 0 ADAERN COC(=S)NC(=O)OC(C)(C)C 238325789 573294548 /nfs/dbraw/zinc/29/45/48/573294548.db2.gz XQSMBZFFZKCJKC-UHFFFAOYSA-N 0 0 191.252 1.442 10 0 ADAERN CCSCC[C@H](CC[NH3+])C(=O)[O-] 132377050 573294550 /nfs/dbraw/zinc/29/45/50/573294550.db2.gz DGBJNQXYZMQISV-ZETCQYMHSA-N 0 0 191.296 1.179 10 0 ADAERN COC[C@@H](C(=O)OC)c1ccco1 257997802 573294551 /nfs/dbraw/zinc/29/45/51/573294551.db2.gz DPEBOLJJMWZKBD-SSDOTTSWSA-N 0 0 184.191 1.183 10 0 ADAERN C[C@@H]1C[C@]1(O)CCc1ccco1 86196684 573294556 /nfs/dbraw/zinc/29/45/56/573294556.db2.gz DZCNACLQSUWRGQ-PSASIEDQSA-N 0 0 166.220 1.983 10 0 ADAERN O[C@H]1CCCC[C@H]1SC1COC1 86195414 573294570 /nfs/dbraw/zinc/29/45/70/573294570.db2.gz FNPWLWKWUHXIQH-DTWKUNHWSA-N 0 0 188.292 1.422 10 0 ADAERN CSC[C@H](CO)C1CCOCC1 257997753 573294576 /nfs/dbraw/zinc/29/45/76/573294576.db2.gz DORMPBOFXJJYRM-VIFPVBQESA-N 0 0 190.308 1.385 10 0 ADAERN N[C@@H](F)C1=CCSCC1 258622495 573294577 /nfs/dbraw/zinc/29/45/77/573294577.db2.gz WVOHXCMYJHHTNZ-ZCFIWIBFSA-N 0 0 147.218 1.304 10 0 ADAERN COCc1ccc(C)n1C 238325765 573294580 /nfs/dbraw/zinc/29/45/80/573294580.db2.gz KDGNQPRYLYTEDS-UHFFFAOYSA-N 0 0 139.198 1.480 10 0 ADAERN Nc1cc(CN2CCCC2)ns1 257996401 573294600 /nfs/dbraw/zinc/29/46/00/573294600.db2.gz YKZUNOWIGOIPOZ-UHFFFAOYSA-N 0 0 183.280 1.321 10 0 ADAERN C[C@@H]1C[C@@]1(O)CCc1ccco1 86196686 573294615 /nfs/dbraw/zinc/29/46/15/573294615.db2.gz DZCNACLQSUWRGQ-SCZZXKLOSA-N 0 0 166.220 1.983 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH2+]C)c1ccc[nH]1 259073499 573294619 /nfs/dbraw/zinc/29/46/19/573294619.db2.gz BZYWQXLQNAJSGU-IONNQARKSA-N 0 0 196.250 1.386 10 0 ADAERN CC(=O)[C@H](C)SC1COC1 86195520 573294625 /nfs/dbraw/zinc/29/46/25/573294625.db2.gz SGQGAQGWIROXPH-LURJTMIESA-N 0 0 160.238 1.096 10 0 ADAERN C[N@@H+]1C2CCCC1(C(=O)[O-])CCC2 238325792 573294654 /nfs/dbraw/zinc/29/46/54/573294654.db2.gz MWPNMSLIWDVNAO-UHFFFAOYSA-N 0 0 183.251 1.478 10 0 ADAERN Nc1ccccc1CSC1COC1 86194943 573294660 /nfs/dbraw/zinc/29/46/60/573294660.db2.gz NHEHTEXTWNZTSE-UHFFFAOYSA-N 0 0 195.287 1.901 10 0 ADAERN CC1=NC(=S)N([C@@H]2CCOC2)C1C 716696652 573294665 /nfs/dbraw/zinc/29/46/65/573294665.db2.gz JVXSZSHALIAJEX-MRVPVSSYSA-N 0 0 198.291 1.750 10 0 ADAERN O=C1CCC[C@H]1SC1COC1 86195473 573294666 /nfs/dbraw/zinc/29/46/66/573294666.db2.gz BGNGBMXSRZWTBH-MRVPVSSYSA-N 0 0 172.249 1.240 10 0 ADAERN Cc1cccc2c1[C@@H]([C@H](C)O)CN2 257998438 573294667 /nfs/dbraw/zinc/29/46/67/573294667.db2.gz BWMZZUYCOCOAMZ-DTWKUNHWSA-N 0 0 177.247 1.885 10 0 ADAERN NOCc1ccc2[nH]ccc2c1F 257997094 573294676 /nfs/dbraw/zinc/29/46/76/573294676.db2.gz LLGKBTVXCIKANF-UHFFFAOYSA-N 0 0 180.182 1.697 10 0 ADAERN NOCc1cccc2ncoc12 257996951 573294726 /nfs/dbraw/zinc/29/47/26/573294726.db2.gz LHKQBFCIILKJIW-UHFFFAOYSA-N 0 0 164.164 1.218 10 0 ADAERN C=Cc1ccccc1[C@H](O)C(=O)OC 238325523 573294728 /nfs/dbraw/zinc/29/47/28/573294728.db2.gz HCPWDHIAGPUDPO-JTQLQIEISA-N 0 0 192.214 1.536 10 0 ADAERN CCCC[C@@]1(O)C[C@H]1C 86196867 573294732 /nfs/dbraw/zinc/29/47/32/573294732.db2.gz XQLAPCKMJWWSEM-HTQZYQBOSA-N 0 0 128.215 1.948 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccccc1 86196802 573294761 /nfs/dbraw/zinc/29/47/61/573294761.db2.gz LBPUHGCOZGQPED-SCZZXKLOSA-N 0 0 148.205 1.914 10 0 ADAERN CSCC[C@H](CCC[NH3+])C(=O)[O-] 132377973 573294763 /nfs/dbraw/zinc/29/47/63/573294763.db2.gz WKUKGPKAOQKEOU-ZETCQYMHSA-N 0 0 191.296 1.179 10 0 ADAERN OCc1cnc(-c2ccc(F)cc2)o1 258235879 573294766 /nfs/dbraw/zinc/29/47/66/573294766.db2.gz VXSNUQOKUWYDTJ-UHFFFAOYSA-N 0 0 193.177 1.973 10 0 ADAERN CC[C@H](C)[C@H](O)C1(OC)CCC1 132345723 573294799 /nfs/dbraw/zinc/29/47/99/573294799.db2.gz BWZRFMGXPFIUNL-IUCAKERBSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H]1C[C@@]1(O)C1CCCC1 86196871 573294803 /nfs/dbraw/zinc/29/48/03/573294803.db2.gz VFVQDKNPZSDNMG-APPZFPTMSA-N 0 0 140.226 1.948 10 0 ADAERN CC(C)c1nc2ccc(O)cn2n1 257995664 573294804 /nfs/dbraw/zinc/29/48/04/573294804.db2.gz PWKADGTXXOYFHD-UHFFFAOYSA-N 0 0 177.207 1.558 10 0 ADAERN N[C@@H](Cc1cccnc1)C(F)(F)F 74275207 573294816 /nfs/dbraw/zinc/29/48/16/573294816.db2.gz NXERDIGARUPHLS-ZETCQYMHSA-N 0 0 190.168 1.514 10 0 ADAERN COCc1cccc(OC)c1CNO 257996631 573294834 /nfs/dbraw/zinc/29/48/34/573294834.db2.gz GADIFYNTWGVMAJ-UHFFFAOYSA-N 0 0 197.234 1.320 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1O)CCC2 257996756 573294851 /nfs/dbraw/zinc/29/48/51/573294851.db2.gz GCZXUEJJHWLRIU-QMMMGPOBSA-N 0 0 192.258 1.804 10 0 ADAERN NOCc1cccc2scnc12 257997155 573294856 /nfs/dbraw/zinc/29/48/56/573294856.db2.gz LMNOWIPJYLFFIH-UHFFFAOYSA-N 0 0 180.232 1.687 10 0 ADAERN Cc1c(C[C@H](O)C2CCC2)cnn1C 689843883 573295558 /nfs/dbraw/zinc/29/55/58/573295558.db2.gz LXZCQNKTTKMDMQ-NSHDSACASA-N 0 0 194.278 1.432 10 0 ADAERN Cc1cccc2c1[C@@H](C(=O)[O-])[NH2+]CC2 74272889 573295600 /nfs/dbraw/zinc/29/56/00/573295600.db2.gz OQEALSSUBBMPHX-JTQLQIEISA-N 0 0 191.230 1.266 10 0 ADAERN Cc1ccc2[nH]cc(CON)c2c1 257998473 573295606 /nfs/dbraw/zinc/29/56/06/573295606.db2.gz BXLHIQZKWRJOJV-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN NOCCc1cccc2[nH]ccc12 257997066 573295630 /nfs/dbraw/zinc/29/56/30/573295630.db2.gz LKRNHVCHLSBJPP-UHFFFAOYSA-N 0 0 176.219 1.601 10 0 ADAERN c1nscc1O[C@@H]1CCCOC1 257995712 573295637 /nfs/dbraw/zinc/29/56/37/573295637.db2.gz ADTZHTFGFLJWSO-SSDOTTSWSA-N 0 0 185.248 1.701 10 0 ADAERN CCSCC[C@H]1CCCNC1=O 132368976 573295639 /nfs/dbraw/zinc/29/56/39/573295639.db2.gz VYHYPHUXKYGWOH-MRVPVSSYSA-N 0 0 187.308 1.656 10 0 ADAERN COc1c(C[C@@H](C)O)ccc(C)c1O 257996746 573295650 /nfs/dbraw/zinc/29/56/50/573295650.db2.gz GCZITSVFEKHKCA-MRVPVSSYSA-N 0 0 196.246 1.633 10 0 ADAERN OCc1cnc([C@@H]2CCCO2)o1 258240158 573295655 /nfs/dbraw/zinc/29/56/55/573295655.db2.gz WETXDKUJKYQRJL-ZETCQYMHSA-N 0 0 169.180 1.018 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH2+]C)c1ccc[nH]1 259073496 573295663 /nfs/dbraw/zinc/29/56/63/573295663.db2.gz BZYWQXLQNAJSGU-CBAPKCEASA-N 0 0 196.250 1.386 10 0 ADAERN CC(C)(C)C[C@H]1C[NH2+][C@@H](C(=O)[O-])C1 257996830 573295689 /nfs/dbraw/zinc/29/56/89/573295689.db2.gz ACXFTCOXFJGMGH-JGVFFNPUSA-N 0 0 185.267 1.485 10 0 ADAERN Nc1cccc(CSC2COC2)c1 86194985 573295691 /nfs/dbraw/zinc/29/56/91/573295691.db2.gz QNGXVCQUFBPECM-UHFFFAOYSA-N 0 0 195.287 1.901 10 0 ADAERN Nc1scnc1CN1CCCCC1 257998453 573295698 /nfs/dbraw/zinc/29/56/98/573295698.db2.gz YSWCAZWFPWCXOD-UHFFFAOYSA-N 0 0 197.307 1.711 10 0 ADAERN CSC(=O)c1cc(N)n(C(C)C)n1 257998521 573295720 /nfs/dbraw/zinc/29/57/20/573295720.db2.gz YVGNWZSBOXTQGN-UHFFFAOYSA-N 0 0 199.279 1.549 10 0 ADAERN O=C1CC[C@@H](SC2COC2)C1 86195489 573295747 /nfs/dbraw/zinc/29/57/47/573295747.db2.gz RFAWOEYIUWGBQN-SSDOTTSWSA-N 0 0 172.249 1.240 10 0 ADAERN Cc1noc(C)c1-c1nc(C=O)c[nH]1 74273392 573295755 /nfs/dbraw/zinc/29/57/55/573295755.db2.gz DETKGUUFBQGSIK-UHFFFAOYSA-N 0 0 191.190 1.494 10 0 ADAERN Cc1cc2c(N)cccc2c(=O)n1C 258284069 573295764 /nfs/dbraw/zinc/29/57/64/573295764.db2.gz RPUOBQJTZBNQFX-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN Cc1cc(CO)nn1[C@@H]1CCCCO1 223967910 573295771 /nfs/dbraw/zinc/29/57/71/573295771.db2.gz NQDXKVSPMNYONF-JTQLQIEISA-N 0 0 196.250 1.383 10 0 ADAERN Cc1oc(CO)nc1[C@H]1CCSC1 257997255 573295777 /nfs/dbraw/zinc/29/57/77/573295777.db2.gz FZAWBJUEPCAZGJ-ZETCQYMHSA-N 0 0 199.275 1.696 10 0 ADAERN CCC(=O)[C@@H](C)SC1COC1 86195544 573295780 /nfs/dbraw/zinc/29/57/80/573295780.db2.gz VSGZTJDWQMYGGM-ZCFIWIBFSA-N 0 0 174.265 1.486 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccccc1 86196800 573295785 /nfs/dbraw/zinc/29/57/85/573295785.db2.gz LBPUHGCOZGQPED-PSASIEDQSA-N 0 0 148.205 1.914 10 0 ADAERN C[C@H]1C[NH2+]C[C@H](c2ccccn2)N1C 74271366 573295797 /nfs/dbraw/zinc/29/57/97/573295797.db2.gz IKVKRTXSJLGVQU-GXSJLCMTSA-N 0 0 191.278 1.046 10 0 ADAERN CC[C@@]1(O)C[C@H]1C 86196767 573295811 /nfs/dbraw/zinc/29/58/11/573295811.db2.gz QNGGJLIQIQLMQV-PHDIDXHHSA-N 0 0 100.161 1.167 10 0 ADAERN Cc1cccc(Cc2nc(N)no2)c1 74276079 573295812 /nfs/dbraw/zinc/29/58/12/573295812.db2.gz YIXCHRFVDNKOQT-UHFFFAOYSA-N 0 0 189.218 1.551 10 0 ADAERN CCc1[nH]c2nc(C=O)c(C)n2c1C 74272736 573295836 /nfs/dbraw/zinc/29/58/36/573295836.db2.gz ARPFOCIZTYCDMT-UHFFFAOYSA-N 0 0 191.234 1.654 10 0 ADAERN Cc1ccccc1[C@H]1CCNO1 258622421 573295839 /nfs/dbraw/zinc/29/58/39/573295839.db2.gz WTKNVEIKPPNGOL-SNVBAGLBSA-N 0 0 163.220 1.961 10 0 ADAERN Cc1oc(CO)nc1[C@@H]1CCSC1 257997254 573295844 /nfs/dbraw/zinc/29/58/44/573295844.db2.gz FZAWBJUEPCAZGJ-SSDOTTSWSA-N 0 0 199.275 1.696 10 0 ADAERN O=C(CSC1COC1)C1CC1 86195514 573295849 /nfs/dbraw/zinc/29/58/49/573295849.db2.gz KOHMWCBTXNHPCW-UHFFFAOYSA-N 0 0 172.249 1.098 10 0 ADAERN COc1ccc(Cl)c(CON)c1 238335819 573295850 /nfs/dbraw/zinc/29/58/50/573295850.db2.gz DHQOAURZXIFHBY-UHFFFAOYSA-N 0 0 187.626 1.739 10 0 ADAERN Nc1cnnc(C2CCC2)c1 257998348 573295855 /nfs/dbraw/zinc/29/58/55/573295855.db2.gz QATFISANPAKREF-UHFFFAOYSA-N 0 0 149.197 1.326 10 0 ADAERN CCCC[C@@H](C)NC(=O)c1cn[nH]c1 50890874 573295859 /nfs/dbraw/zinc/29/58/59/573295859.db2.gz WAQGAUVXVYOZFO-MRVPVSSYSA-N 0 0 195.266 1.718 10 0 ADAERN CO[C@H](C1CCCCC1)[C@@H](C)NN 126057443 573295861 /nfs/dbraw/zinc/29/58/61/573295861.db2.gz UEQSJSHNKAIPFZ-SCZZXKLOSA-N 0 0 186.299 1.434 10 0 ADAERN C/C=C1/NC(=S)N(C(C)(C)C)C1=O 116623790 573295863 /nfs/dbraw/zinc/29/58/63/573295863.db2.gz XVPDXNDCONRILY-AATRIKPKSA-N 0 0 198.291 1.405 10 0 ADAERN O=Cc1ccc(F)cc1CCO 257997057 573295873 /nfs/dbraw/zinc/29/58/73/573295873.db2.gz LKQFCOMWLNQPGO-UHFFFAOYSA-N 0 0 168.167 1.173 10 0 ADAERN O=Cc1[nH]nc2cc3c(cc12)OCO3 74275293 573295878 /nfs/dbraw/zinc/29/58/78/573295878.db2.gz ZBEQQPRDHLMGCG-UHFFFAOYSA-N 0 0 190.158 1.104 10 0 ADAERN CCOC(=O)/C(C)=C\c1cn(C)cn1 393661463 573295879 /nfs/dbraw/zinc/29/58/79/573295879.db2.gz WVNCGXJJGPMVRI-YVMONPNESA-N 0 0 194.234 1.387 10 0 ADAERN CC(=O)CCSC1COC1 86195481 573295888 /nfs/dbraw/zinc/29/58/88/573295888.db2.gz SXDIWSGBLMCFBP-UHFFFAOYSA-N 0 0 160.238 1.098 10 0 ADAERN CCn1ncc(N)c1C(C)(C)C 258622460 573295891 /nfs/dbraw/zinc/29/58/91/573295891.db2.gz WUXIOMVEQHZQKN-UHFFFAOYSA-N 0 0 167.256 1.783 10 0 ADAERN C[C@H]1C[NH2+]C[C@H](c2ccncc2)N1C 74271383 573295971 /nfs/dbraw/zinc/29/59/71/573295971.db2.gz FFBKWGXMXNBKSL-GXSJLCMTSA-N 0 0 191.278 1.046 10 0 ADAERN CCC[C@H](C)[C@H](O)CCOC 233352284 573295974 /nfs/dbraw/zinc/29/59/74/573295974.db2.gz XEXUJVYAZHIODQ-DTWKUNHWSA-N 0 0 160.257 1.820 10 0 ADAERN Cc1c(C[C@@H](O)C2CCC2)cnn1C 689843882 573295982 /nfs/dbraw/zinc/29/59/82/573295982.db2.gz LXZCQNKTTKMDMQ-LLVKDONJSA-N 0 0 194.278 1.432 10 0 ADAERN CCn1cccc1/C=C(\C)CO 211961601 573296003 /nfs/dbraw/zinc/29/60/03/573296003.db2.gz NFAODAKENDZOHY-VQHVLOKHSA-N 0 0 165.236 1.904 10 0 ADAERN Cc1cccc([C@@H]2CC(=O)CCN2)n1 74274215 573296004 /nfs/dbraw/zinc/29/60/04/573296004.db2.gz RHBRMMRBLOETOA-NSHDSACASA-N 0 0 190.246 1.384 10 0 ADAERN CCCC(=O)OCc1cnoc1C 393581732 573296010 /nfs/dbraw/zinc/29/60/10/573296010.db2.gz ISPHPUYXAZWOPN-UHFFFAOYSA-N 0 0 183.207 1.826 10 0 ADAERN Nc1cc(F)cc(SC2COC2)c1 86194820 573296021 /nfs/dbraw/zinc/29/60/21/573296021.db2.gz UCBNSZJIESIOJG-UHFFFAOYSA-N 0 0 199.250 1.899 10 0 ADAERN C[C@@H]1C[C@]1(O)[C@@H]1CCCOC1 86196816 573296047 /nfs/dbraw/zinc/29/60/47/573296047.db2.gz VYCRIFHOJZGQQM-IWSPIJDZSA-N 0 0 156.225 1.184 10 0 ADAERN COCc1cc(CCO)ccc1OC 257996762 573296100 /nfs/dbraw/zinc/29/61/00/573296100.db2.gz GDERBBOUEMMIIK-UHFFFAOYSA-N 0 0 196.246 1.376 10 0 ADAERN C[C@@H]1CC(=O)C[C@@H](c2cccnc2)N1 74274385 573296102 /nfs/dbraw/zinc/29/61/02/573296102.db2.gz SEHDVCJEXREQPJ-KCJUWKMLSA-N 0 0 190.246 1.464 10 0 ADAERN O[C@H]1CCC[C@@H]1SC1COC1 86195431 573296103 /nfs/dbraw/zinc/29/61/03/573296103.db2.gz UDNMDCJSEFKPOL-YUMQZZPRSA-N 0 0 174.265 1.032 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1SC1COC1 86195496 573296109 /nfs/dbraw/zinc/29/61/09/573296109.db2.gz UMBVDANIOYZJTD-RCOVLWMOSA-N 0 0 186.276 1.486 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccsc1 86196785 573296128 /nfs/dbraw/zinc/29/61/28/573296128.db2.gz WFABOUZCIIJBDU-POYBYMJQSA-N 0 0 154.234 1.976 10 0 ADAERN Cc1cc(-n2ccnc2C)ncc1N 74277346 573296131 /nfs/dbraw/zinc/29/61/31/573296131.db2.gz CDFOLMYUGBRKTO-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC(C)(C)c1nnc2n1[C@H](O)CCC2 257996247 573296135 /nfs/dbraw/zinc/29/61/35/573296135.db2.gz AWJHONJTHGYOIS-MRVPVSSYSA-N 0 0 195.266 1.403 10 0 ADAERN O=Cc1ccc(SC2COC2)o1 86196171 573296145 /nfs/dbraw/zinc/29/61/45/573296145.db2.gz XWBOHGFGGWCUHB-UHFFFAOYSA-N 0 0 184.216 1.583 10 0 ADAERN Cn1cc(C[C@@H](O)[C@H]2CC2(C)C)cn1 236114896 573296173 /nfs/dbraw/zinc/29/61/73/573296173.db2.gz AIMSQUWQDPNWGN-NXEZZACHSA-N 0 0 194.278 1.370 10 0 ADAERN CONCc1ccc(F)c(C)c1F 257996513 573296174 /nfs/dbraw/zinc/29/61/74/573296174.db2.gz FYLVHNDQCZAALX-UHFFFAOYSA-N 0 0 187.189 1.924 10 0 ADAERN CC[C@@H](CO)Cc1ccccn1 230820789 573298243 /nfs/dbraw/zinc/29/82/43/573298243.db2.gz MRTVJASSYTWBKN-SECBINFHSA-N 0 0 165.236 1.643 10 0 ADAERN CCn1ccn(CC(F)(F)F)c1=O 123992284 573298262 /nfs/dbraw/zinc/29/82/62/573298262.db2.gz URZUGLYHEDGEMJ-UHFFFAOYSA-N 0 0 194.156 1.232 10 0 ADAERN C[C@H]1Nc2c(N)cccc2N(C)C1=O 259406798 573298263 /nfs/dbraw/zinc/29/82/63/573298263.db2.gz XPJDXQUOEPNLMN-ZCFIWIBFSA-N 0 0 191.234 1.046 10 0 ADAERN OCC1(CNc2cc[nH]c2)CCC1 259073159 573298267 /nfs/dbraw/zinc/29/82/67/573298267.db2.gz UPGKVYRVKCLXAE-UHFFFAOYSA-N 0 0 180.251 1.589 10 0 ADAERN COCCCc1ncc([C@H](C)CO)o1 257998970 573298276 /nfs/dbraw/zinc/29/82/76/573298276.db2.gz IMUYHOZXXXMDBR-MRVPVSSYSA-N 0 0 199.250 1.349 10 0 ADAERN CO[C@@H](C1CCCCC1)[C@H](C)NN 126057645 573298277 /nfs/dbraw/zinc/29/82/77/573298277.db2.gz UEQSJSHNKAIPFZ-WCBMZHEXSA-N 0 0 186.299 1.434 10 0 ADAERN NOCc1ccc(C(F)F)cc1O 257999025 573298288 /nfs/dbraw/zinc/29/82/88/573298288.db2.gz GHTHYUIVZZABRO-UHFFFAOYSA-N 0 0 189.161 1.720 10 0 ADAERN CCOC(=O)[C@@]1(C)CCCC(C)(C)N1 257998721 573298301 /nfs/dbraw/zinc/29/83/01/573298301.db2.gz LNWZFLHDRFWMOR-LLVKDONJSA-N 0 0 199.294 1.860 10 0 ADAERN CCn1ccn(CC(C)C)c1=O 123992542 573298307 /nfs/dbraw/zinc/29/83/07/573298307.db2.gz WYPSNQUHIJANQB-UHFFFAOYSA-N 0 0 168.240 1.326 10 0 ADAERN CN1C(=O)C=C/C1=C\c1ccc[nH]1 223124747 573298314 /nfs/dbraw/zinc/29/83/14/573298314.db2.gz VBQHIXFIGWJFHY-VQHVLOKHSA-N 0 0 174.203 1.384 10 0 ADAERN CSc1ccc(CNO)cc1O 257998907 573298386 /nfs/dbraw/zinc/29/83/86/573298386.db2.gz GFGVPDOZSLPBEY-UHFFFAOYSA-N 0 0 185.248 1.593 10 0 ADAERN C[C@H](O)Cc1cc(F)cc(F)c1O 257999014 573298395 /nfs/dbraw/zinc/29/83/95/573298395.db2.gz GHDVENQQMZAYHJ-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN COC(=O)[C@H]1C[C@@H](C)C(=O)[C@@H]1C 238336188 573298400 /nfs/dbraw/zinc/29/84/00/573298400.db2.gz NKUWNUPRIYXPEP-QYNIQEEDSA-N 0 0 170.208 1.021 10 0 ADAERN CC(C)C(=O)C1(CO)CCC1 259073006 573298404 /nfs/dbraw/zinc/29/84/04/573298404.db2.gz HDWZWXSIMBVGQW-UHFFFAOYSA-N 0 0 156.225 1.374 10 0 ADAERN O=Cc1cc(F)c(F)cc1CNO 257998858 573298407 /nfs/dbraw/zinc/29/84/07/573298407.db2.gz GEFUCJOVHZOTFX-UHFFFAOYSA-N 0 0 187.145 1.256 10 0 ADAERN Cc1ccc([C@H](C)O)c2c1OCCO2 257998849 573298414 /nfs/dbraw/zinc/29/84/14/573298414.db2.gz GDXMSTGBGSUFDH-QMMMGPOBSA-N 0 0 194.230 1.820 10 0 ADAERN CC(=O)CNc1ccc(C(C)=O)cc1 258622677 573298415 /nfs/dbraw/zinc/29/84/15/573298415.db2.gz JSCDLZZRCDZCKD-UHFFFAOYSA-N 0 0 191.230 1.890 10 0 ADAERN CCc1cc(O)cc(C=O)c1O 238336039 573298434 /nfs/dbraw/zinc/29/84/34/573298434.db2.gz QUDJKROPJKBWBJ-UHFFFAOYSA-N 0 0 166.176 1.473 10 0 ADAERN CC1=CC(=O)N(C)[C@H](C(C)(C)C)N1 238336303 573298442 /nfs/dbraw/zinc/29/84/42/573298442.db2.gz RDCFTERDOCEVED-SECBINFHSA-N 0 0 182.267 1.324 10 0 ADAERN C[C@@H]1C(=O)Nc2ccc(CON)cc21 257999063 573298456 /nfs/dbraw/zinc/29/84/56/573298456.db2.gz GIPXEJXCRUHMFY-LURJTMIESA-N 0 0 192.218 1.133 10 0 ADAERN NOCCc1cccc2c1SCC2 257998904 573298464 /nfs/dbraw/zinc/29/84/64/573298464.db2.gz GFGKHFVAYUDMIF-UHFFFAOYSA-N 0 0 195.287 1.768 10 0 ADAERN C[C@@H]1C[C@]1(O)C1CC1 86197824 573298480 /nfs/dbraw/zinc/29/84/80/573298480.db2.gz QBOLMZPBDPTDCO-IYSWYEEDSA-N 0 0 112.172 1.167 10 0 ADAERN NOCc1cc2c(cc1F)OCC2 257999037 573298498 /nfs/dbraw/zinc/29/84/98/573298498.db2.gz GHZIMAVDAFXHMB-UHFFFAOYSA-N 0 0 183.182 1.151 10 0 ADAERN COc1cc(Cl)ccc1CON 238336005 573298515 /nfs/dbraw/zinc/29/85/15/573298515.db2.gz BYMFKVKARFNCEY-UHFFFAOYSA-N 0 0 187.626 1.739 10 0 ADAERN Cc1ccc([C@@]2(O)C[C@@H]2C)c(C)n1 86197190 573298526 /nfs/dbraw/zinc/29/85/26/573298526.db2.gz JQNMUQBYJYRRHV-WRWORJQWSA-N 0 0 177.247 1.926 10 0 ADAERN O=c1oc2cccc(CNO)c2s1 257998976 573298535 /nfs/dbraw/zinc/29/85/35/573298535.db2.gz GGFLNSWHAGGFDF-UHFFFAOYSA-N 0 0 197.215 1.333 10 0 ADAERN CC[C@H](C[NH2+]CC1CCCC1)C(=O)[O-] 259075149 573298539 /nfs/dbraw/zinc/29/85/39/573298539.db2.gz UTLBATYEAZMQRQ-SNVBAGLBSA-N 0 0 199.294 1.877 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccc(Cl)cn1 86197652 573298548 /nfs/dbraw/zinc/29/85/48/573298548.db2.gz OUZQEQBEYRNYKP-HZGVNTEJSA-N 0 0 183.638 1.962 10 0 ADAERN Cc1ccc([C@]2(O)C[C@@H]2C)c(C)n1 86197187 573298553 /nfs/dbraw/zinc/29/85/53/573298553.db2.gz JQNMUQBYJYRRHV-CPCISQLKSA-N 0 0 177.247 1.926 10 0 ADAERN CC(C)c1nnsc1[C@]1(O)C[C@@H]1C 86198373 573298564 /nfs/dbraw/zinc/29/85/64/573298564.db2.gz AHHKLAHBAOHJPM-RCOVLWMOSA-N 0 0 198.291 1.889 10 0 ADAERN C[C@@H]1C[C@]1(O)c1cccs1 86197698 573298571 /nfs/dbraw/zinc/29/85/71/573298571.db2.gz NIQQJZFTNDPABX-HTRCEHHLSA-N 0 0 154.234 1.976 10 0 ADAERN C[C@@H](O)Cc1cc(F)cc(F)c1O 257999013 573298572 /nfs/dbraw/zinc/29/85/72/573298572.db2.gz GHDVENQQMZAYHJ-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN CCc1ccc(-n2cc(N)nn2)cc1 74277433 573298573 /nfs/dbraw/zinc/29/85/73/573298573.db2.gz QFATULKSOYLKBC-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CC1=CC(C)(C)NC(=S)N1N(C)C 238336402 573298577 /nfs/dbraw/zinc/29/85/77/573298577.db2.gz CIQZZCNDXYITIM-UHFFFAOYSA-N 0 0 199.323 1.336 10 0 ADAERN CC(C)C[C@]1(O)C[C@@H]1C 86196888 573298586 /nfs/dbraw/zinc/29/85/86/573298586.db2.gz HTOUAGJQDAFESN-YUMQZZPRSA-N 0 0 128.215 1.803 10 0 ADAERN Cc1ccc([C@@H](C)O)c2c1OCCO2 257998844 573298587 /nfs/dbraw/zinc/29/85/87/573298587.db2.gz GDXMSTGBGSUFDH-MRVPVSSYSA-N 0 0 194.230 1.820 10 0 ADAERN C[N@@H+]1CCC[C@@H]1[C@]1(C)C[C@H]1C(=O)[O-] 259072719 573298593 /nfs/dbraw/zinc/29/85/93/573298593.db2.gz CATDAVHVKNDLTH-QXFUBDJGSA-N 0 0 183.251 1.191 10 0 ADAERN CC1=N[C@@H](C)CC=N1 106486454 573298608 /nfs/dbraw/zinc/29/86/08/573298608.db2.gz LNEBKXUQTNLWRY-YFKPBYRVSA-N 0 0 110.160 1.268 10 0 ADAERN Cc1cnc([C@@]2(O)C[C@H]2C)cn1 86197410 573298611 /nfs/dbraw/zinc/29/86/11/573298611.db2.gz RHBPNSFXPAKGDI-HZGVNTEJSA-N 0 0 164.208 1.012 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccc2c(c1)COC2 86197903 573298626 /nfs/dbraw/zinc/29/86/26/573298626.db2.gz KORUJUYYDGXHOA-UFBFGSQYSA-N 0 0 190.242 1.944 10 0 ADAERN CSc1c(O)ccc(CO)c1F 257998993 573298627 /nfs/dbraw/zinc/29/86/27/573298627.db2.gz GGMYYLZRSOGINQ-UHFFFAOYSA-N 0 0 188.223 1.746 10 0 ADAERN CO[C@@H](C)CNc1ncccc1N 223652769 573298628 /nfs/dbraw/zinc/29/86/28/573298628.db2.gz XANUKSMNDSPEEL-ZETCQYMHSA-N 0 0 181.239 1.111 10 0 ADAERN CCc1cc(O)c(F)c(CO)c1 238335404 573298633 /nfs/dbraw/zinc/29/86/33/573298633.db2.gz KPUIUOFBVWTOGC-UHFFFAOYSA-N 0 0 170.183 1.586 10 0 ADAERN Cc1cccc([C@]2(O)C[C@H]2C)n1 86197014 573298642 /nfs/dbraw/zinc/29/86/42/573298642.db2.gz UHQYZVNTBUPSQF-XCBNKYQSSA-N 0 0 163.220 1.617 10 0 ADAERN CCCOCC[C@]1(O)C[C@@H]1C 86197360 573298649 /nfs/dbraw/zinc/29/86/49/573298649.db2.gz OWRFXQSABKOSGO-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CN1CC[C@H](c2ccccc2)NC1=O 238335681 573298653 /nfs/dbraw/zinc/29/86/53/573298653.db2.gz NKLFPUOEAGIVCW-SNVBAGLBSA-N 0 0 190.246 1.773 10 0 ADAERN CCOCC[C@@]1(O)C[C@H]1C 86198130 573298672 /nfs/dbraw/zinc/29/86/72/573298672.db2.gz MZNKTZUDXGIALL-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1ccoc1[C@]1(O)C[C@H]1C 86198477 573298682 /nfs/dbraw/zinc/29/86/82/573298682.db2.gz IAIRUXCPIPZGKI-APPZFPTMSA-N 0 0 152.193 1.815 10 0 ADAERN CC[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])CC1(C)C 259407553 573298691 /nfs/dbraw/zinc/29/86/91/573298691.db2.gz MQNSRIPFPOTZNH-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN Cc1cccc([C@@]2(O)C[C@H]2C)n1 86197016 573298707 /nfs/dbraw/zinc/29/87/07/573298707.db2.gz UHQYZVNTBUPSQF-GMSGAONNSA-N 0 0 163.220 1.617 10 0 ADAERN CC1=N[C@H](C)CC=N1 106486449 573298709 /nfs/dbraw/zinc/29/87/09/573298709.db2.gz LNEBKXUQTNLWRY-RXMQYKEDSA-N 0 0 110.160 1.268 10 0 ADAERN CS[C@H](C)C(=O)C(C)C 197820114 573298724 /nfs/dbraw/zinc/29/87/24/573298724.db2.gz DSRFIXFNQIASFK-ZCFIWIBFSA-N 0 0 146.255 1.963 10 0 ADAERN CCc1cc([C@]2(O)C[C@@H]2C)n(C)n1 86198180 573298726 /nfs/dbraw/zinc/29/87/26/573298726.db2.gz VTERVIQTIAYPTL-XVKPBYJWSA-N 0 0 180.251 1.210 10 0 ADAERN Cc1ccc(CCO)c2c1OCO2 257998977 573298729 /nfs/dbraw/zinc/29/87/29/573298729.db2.gz LSHIWVCWZHYTKP-UHFFFAOYSA-N 0 0 180.203 1.259 10 0 ADAERN Cc1nnsc1[C@@]1(O)C[C@@H]1C 86197234 573298731 /nfs/dbraw/zinc/29/87/31/573298731.db2.gz JSVJNWMZMKEGQU-MHTLYPKNSA-N 0 0 170.237 1.074 10 0 ADAERN C[C@H]1C[C@@]1(O)CC(F)(F)F 86197925 573298744 /nfs/dbraw/zinc/29/87/44/573298744.db2.gz KXXSGLGSIRCEGM-CRCLSJGQSA-N 0 0 154.131 1.710 10 0 ADAERN Cc1nn(C)c(C)c1[C@]1(O)C[C@@H]1C 86197374 573298749 /nfs/dbraw/zinc/29/87/49/573298749.db2.gz BKBLWUZBRBJGSQ-WKEGUHRASA-N 0 0 180.251 1.264 10 0 ADAERN NC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 116642711 573298752 /nfs/dbraw/zinc/29/87/52/573298752.db2.gz HXTOTKHBSWGCMX-RRKCRQDMSA-N 0 0 170.281 1.008 10 0 ADAERN CCCC[C@H](C)NC(=O)c1cn[nH]c1 50890875 573298761 /nfs/dbraw/zinc/29/87/61/573298761.db2.gz WAQGAUVXVYOZFO-QMMMGPOBSA-N 0 0 195.266 1.718 10 0 ADAERN CCCc1nnsc1[C@]1(O)C[C@@H]1C 86197906 573298765 /nfs/dbraw/zinc/29/87/65/573298765.db2.gz WFNPKOCAIPJPEM-RCOVLWMOSA-N 0 0 198.291 1.718 10 0 ADAERN C[C@@H]1C[C@]1(O)c1ccc2c(c1)OCO2 86198203 573298774 /nfs/dbraw/zinc/29/87/74/573298774.db2.gz KELQMIFYLUPLPV-RDDDGLTNSA-N 0 0 192.214 1.643 10 0 ADAERN Cc1nn(C)c(C)c1[C@]1(O)C[C@H]1C 86197378 573298780 /nfs/dbraw/zinc/29/87/80/573298780.db2.gz BKBLWUZBRBJGSQ-LDWIPMOCSA-N 0 0 180.251 1.264 10 0 ADAERN Cc1cc(C)c(C2(O)CC2)c(O)c1 257998974 573298782 /nfs/dbraw/zinc/29/87/82/573298782.db2.gz LSFGMVSGFIOHIU-UHFFFAOYSA-N 0 0 178.231 1.990 10 0 ADAERN C[NH2+][C@@H](C)c1nc(F)ccc1F 238336438 573298789 /nfs/dbraw/zinc/29/87/89/573298789.db2.gz MPXPXQNLPWRLGD-YFKPBYRVSA-N 0 0 172.178 1.640 10 0 ADAERN CC(C)c1nnsc1[C@@]1(O)C[C@H]1C 86198368 573298795 /nfs/dbraw/zinc/29/87/95/573298795.db2.gz AHHKLAHBAOHJPM-HZGVNTEJSA-N 0 0 198.291 1.889 10 0 ADAERN CC[C@@H](CO)CNc1cc[nH]c1 259073287 573298803 /nfs/dbraw/zinc/29/88/03/573298803.db2.gz URBXVOSCMIMBIW-MRVPVSSYSA-N 0 0 168.240 1.445 10 0 ADAERN CCC[C@@]1(O)C[C@@H]1C 86197241 573298810 /nfs/dbraw/zinc/29/88/10/573298810.db2.gz YHSSRIODGKOGJE-NKWVEPMBSA-N 0 0 114.188 1.557 10 0 ADAERN COCCCc1ncc([C@@H](C)CO)o1 257998973 573298814 /nfs/dbraw/zinc/29/88/14/573298814.db2.gz IMUYHOZXXXMDBR-QMMMGPOBSA-N 0 0 199.250 1.349 10 0 ADAERN C[C@H](O)c1cnc(CCCO)s1 257998712 573298859 /nfs/dbraw/zinc/29/88/59/573298859.db2.gz IKTHUGCTJIMMPR-LURJTMIESA-N 0 0 187.264 1.121 10 0 ADAERN CNC(=O)Nc1ccccc1C(C)=O 106433721 573298879 /nfs/dbraw/zinc/29/88/79/573298879.db2.gz NMBIAXSMBQYWFI-UHFFFAOYSA-N 0 0 192.218 1.641 10 0 ADAERN Cc1cc(CNO)c(F)cc1O 257998811 573298891 /nfs/dbraw/zinc/29/88/91/573298891.db2.gz LPARLHCDSYCJJW-UHFFFAOYSA-N 0 0 171.171 1.319 10 0 ADAERN CCn1nc(C)cc1[C@]1(O)C[C@@H]1C 86196985 573298905 /nfs/dbraw/zinc/29/89/05/573298905.db2.gz BOORXUSOFZTZLG-XVKPBYJWSA-N 0 0 180.251 1.439 10 0 ADAERN C[C@H]1C[C@@]1(O)c1ccc(N(C)C)cc1 86197445 573298931 /nfs/dbraw/zinc/29/89/31/573298931.db2.gz ALSRFMKSOPZZCS-CABZTGNLSA-N 0 0 191.274 1.980 10 0 ADAERN Cc1ccc([C@]2(C)NC[C@@H](C)O2)o1 258285760 573298955 /nfs/dbraw/zinc/29/89/55/573298955.db2.gz BVQMGRSMSXRGQY-PSASIEDQSA-N 0 0 181.235 1.769 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccncc1Cl 86197817 573298964 /nfs/dbraw/zinc/29/89/64/573298964.db2.gz MIGALWVWCRPRME-IMTBSYHQSA-N 0 0 183.638 1.962 10 0 ADAERN Cc1ccc([C@]2(C)NC[C@H](C)O2)o1 258285769 573298968 /nfs/dbraw/zinc/29/89/68/573298968.db2.gz BVQMGRSMSXRGQY-WCBMZHEXSA-N 0 0 181.235 1.769 10 0 ADAERN Cc1cnc([C@]2(O)C[C@H]2C)cn1 86197408 573298979 /nfs/dbraw/zinc/29/89/79/573298979.db2.gz RHBPNSFXPAKGDI-MUWHJKNJSA-N 0 0 164.208 1.012 10 0 ADAERN C[C@@H]1C[C@@]1(O)CC1CC1 86197535 573298994 /nfs/dbraw/zinc/29/89/94/573298994.db2.gz QWFPRAMXCCWHOK-HTRCEHHLSA-N 0 0 126.199 1.557 10 0 ADAERN Cc1occc1[C@@]1(O)C[C@H]1C 86197036 573299000 /nfs/dbraw/zinc/29/90/00/573299000.db2.gz JEQCLEXAJMQLKD-HZGVNTEJSA-N 0 0 152.193 1.815 10 0 ADAERN C[C@H]1C[C@]1(O)C(C)(C)C 86197123 573299022 /nfs/dbraw/zinc/29/90/22/573299022.db2.gz JGYDZQSAVISNTG-POYBYMJQSA-N 0 0 128.215 1.803 10 0 ADAERN Cc1ncsc1[C@]1(O)C[C@@H]1C 86197271 573299026 /nfs/dbraw/zinc/29/90/26/573299026.db2.gz BJZBZUDCQVVINP-XNCJUZBTSA-N 0 0 169.249 1.679 10 0 ADAERN C[C@H]1C[C@@]1(O)C1CCOCC1 86197372 573299045 /nfs/dbraw/zinc/29/90/45/573299045.db2.gz BXIMDDCOSWYERF-CBAPKCEASA-N 0 0 156.225 1.184 10 0 ADAERN Cc1ccc([C@@]2(O)C[C@H]2C)o1 86198463 573299050 /nfs/dbraw/zinc/29/90/50/573299050.db2.gz GTHGURSKXQFYEI-HZGVNTEJSA-N 0 0 152.193 1.815 10 0 ADAERN C[C@@H]1C[C@@]1(O)c1ccccn1 86197118 573299066 /nfs/dbraw/zinc/29/90/66/573299066.db2.gz RUOXJEYBRHDREV-APPZFPTMSA-N 0 0 149.193 1.309 10 0 ADAERN C[C@@H]1C[C@@]1(O)C1CCOCC1 86197370 573299071 /nfs/dbraw/zinc/29/90/71/573299071.db2.gz BXIMDDCOSWYERF-APPZFPTMSA-N 0 0 156.225 1.184 10 0 ADAERN CC[C@H](C)[C@@]1(O)C[C@@H]1C 86197666 573299080 /nfs/dbraw/zinc/29/90/80/573299080.db2.gz HBGQTGDCRJIQMM-FXQIFTODSA-N 0 0 128.215 1.803 10 0 ADAERN C[C@H]1C[C@]1(O)c1ccc(N(C)C)cc1 86197440 573299085 /nfs/dbraw/zinc/29/90/85/573299085.db2.gz 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/nfs/dbraw/zinc/29/91/35/573299135.db2.gz XEVSMJXIJXMZSV-UHFFFAOYSA-N 0 0 187.202 1.245 10 0 ADAERN C[C@@H]1C[C@]1(O)c1cccc(N(C)C)c1 86198259 573299141 /nfs/dbraw/zinc/29/91/41/573299141.db2.gz VLJHOLIMTQTVJA-BXKDBHETSA-N 0 0 191.274 1.980 10 0 ADAERN Cc1cnc([C@]2(O)C[C@@H]2C)cn1 86197405 573299154 /nfs/dbraw/zinc/29/91/54/573299154.db2.gz RHBPNSFXPAKGDI-RCOVLWMOSA-N 0 0 164.208 1.012 10 0 ADAERN COCc1cc(C=O)ccc1F 257998702 573299156 /nfs/dbraw/zinc/29/91/56/573299156.db2.gz LNUGUCXCCZZFLZ-UHFFFAOYSA-N 0 0 168.167 1.785 10 0 ADAERN O=Cc1cc2c([nH]1)[nH]c1cncnc12 74280703 573299158 /nfs/dbraw/zinc/29/91/58/573299158.db2.gz LQDHCRAYNXMDRT-UHFFFAOYSA-N 0 0 186.174 1.252 10 0 ADAERN Cc1ccc([C@@H](O)CCCO)o1 259074359 573299172 /nfs/dbraw/zinc/29/91/72/573299172.db2.gz AUFJAYODJXKWOU-QMMMGPOBSA-N 0 0 170.208 1.394 10 0 ADAERN Cc1cc(O)c(Cl)cc1CON 257999055 573299174 /nfs/dbraw/zinc/29/91/74/573299174.db2.gz GIMFVVGKIWZGGS-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN COc1ccccc1[C@@]1(O)C[C@H]1C 86198195 573299179 /nfs/dbraw/zinc/29/91/79/573299179.db2.gz WTCDKCZCSVKTFL-LDYMZIIASA-N 0 0 178.231 1.923 10 0 ADAERN C[C@H]1C[C@]1(O)CC1CC1 86197533 573299192 /nfs/dbraw/zinc/29/91/92/573299192.db2.gz QWFPRAMXCCWHOK-XPUUQOCRSA-N 0 0 126.199 1.557 10 0 ADAERN Cc1ccc(-n2cc(N)nn2)c(C)c1 74277445 573299201 /nfs/dbraw/zinc/29/92/01/573299201.db2.gz YTMWBQUZFLHEEL-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN COc1cccc([C@]2(O)C[C@@H]2C)c1 86198123 573299211 /nfs/dbraw/zinc/29/92/11/573299211.db2.gz SWRCHVXKXFTSMY-KWQFWETISA-N 0 0 178.231 1.923 10 0 ADAERN C[NH2+][C@@H](C)c1ncccc1C(=O)[O-] 238336801 573299240 /nfs/dbraw/zinc/29/92/40/573299240.db2.gz PYWHFDQTVSKXKP-LURJTMIESA-N 0 0 180.207 1.060 10 0 ADAERN Cc1ccoc1[C@]1(O)C[C@@H]1C 86198474 573299260 /nfs/dbraw/zinc/29/92/60/573299260.db2.gz IAIRUXCPIPZGKI-CBAPKCEASA-N 0 0 152.193 1.815 10 0 ADAERN Cc1ccc([C@@H]([NH3+])C(=O)[O-])c(C)c1O 257998995 573299280 /nfs/dbraw/zinc/29/92/80/573299280.db2.gz GGPCOPFHQBKTIJ-MRVPVSSYSA-N 0 0 195.218 1.093 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ADAERN CC[C@H]1C[C@]1(O)c1c(C)nn(C)c1C 86200228 573302664 /nfs/dbraw/zinc/30/26/64/573302664.db2.gz KTWBMQLJIAKWDP-GXSJLCMTSA-N 0 0 194.278 1.654 10 0 ADAERN COc1c(O)ccc(C)c1C1(O)CC1 258001411 573302667 /nfs/dbraw/zinc/30/26/67/573302667.db2.gz GOCRTAQCIVPJOS-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN C[C@H]1C[C@]1(O)Cc1ccncc1 86198501 573302669 /nfs/dbraw/zinc/30/26/69/573302669.db2.gz ZNECGQAIZWITGD-WPRPVWTQSA-N 0 0 163.220 1.395 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cc(C)nn1CC 86199868 573302681 /nfs/dbraw/zinc/30/26/81/573302681.db2.gz AEMJIHSZGQAVDZ-GXSJLCMTSA-N 0 0 194.278 1.829 10 0 ADAERN COc1ccc(Cl)c2ncc(N)n12 238338975 573302709 /nfs/dbraw/zinc/30/27/09/573302709.db2.gz KCNLFANWYDOPOU-UHFFFAOYSA-N 0 0 197.625 1.579 10 0 ADAERN CCC[C@H](C)[C@H](NN)c1ncccn1 233351953 573302727 /nfs/dbraw/zinc/30/27/27/573302727.db2.gz UXIPWGXJNJZOFG-IUCAKERBSA-N 0 0 194.282 1.417 10 0 ADAERN Cc1ccc([C@@]2(O)C[C@@H]2C)cn1 86198513 573302728 /nfs/dbraw/zinc/30/27/28/573302728.db2.gz 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/nfs/dbraw/zinc/30/27/76/573302776.db2.gz CSNUGXMKNJDMJJ-RKDXNWHRSA-N 0 0 183.251 1.336 10 0 ADAERN CCc1cnccc1CC(C)=O 259078348 573302789 /nfs/dbraw/zinc/30/27/89/573302789.db2.gz CKQARVBLBQZWOT-UHFFFAOYSA-N 0 0 163.220 1.776 10 0 ADAERN CNc1cccc(CO)c1C 238338801 573302805 /nfs/dbraw/zinc/30/28/05/573302805.db2.gz SRPCKCUTJHJEGF-UHFFFAOYSA-N 0 0 151.209 1.529 10 0 ADAERN CNC(=O)c1cc(O)c(C)cc1F 238338764 573302842 /nfs/dbraw/zinc/30/28/42/573302842.db2.gz XUOKMICEXUDUGJ-UHFFFAOYSA-N 0 0 183.182 1.199 10 0 ADAERN CCCc1nc(C)c(CO)c(C)n1 257993517 573302861 /nfs/dbraw/zinc/30/28/61/573302861.db2.gz OHRDYDAHTYSXCR-UHFFFAOYSA-N 0 0 180.251 1.538 10 0 ADAERN COc1cccc2c1cc(C)n2N 238338994 573302163 /nfs/dbraw/zinc/30/21/63/573302163.db2.gz FJKVAVMKHPPZEI-UHFFFAOYSA-N 0 0 176.219 1.672 10 0 ADAERN COc1cncnc1NCCC(C)C 308547776 573302878 /nfs/dbraw/zinc/30/28/78/573302878.db2.gz QIAHCGZYODASME-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN COc1cncc([C@@](C)(O)C2CC2)c1 124009400 573302891 /nfs/dbraw/zinc/30/28/91/573302891.db2.gz VSEAEPJCIKHKQC-NSHDSACASA-N 0 0 193.246 1.708 10 0 ADAERN CNC1(c2ccc(F)cc2F)COC1 259078852 573302916 /nfs/dbraw/zinc/30/29/16/573302916.db2.gz CWAGVGFGRDHOFW-UHFFFAOYSA-N 0 0 199.200 1.410 10 0 ADAERN C[C@H]1CCO[C@H]1c1n[n-]c(=S)o1 124007923 573302937 /nfs/dbraw/zinc/30/29/37/573302937.db2.gz VMLORXGBZYUPLN-CRCLSJGQSA-N 0 0 186.236 1.456 10 0 ADAERN C[C@H](O)c1cccc(C2(O)CC2)c1 259408104 573302948 /nfs/dbraw/zinc/30/29/48/573302948.db2.gz JMFFHFFCJLUYLJ-QMMMGPOBSA-N 0 0 178.231 1.721 10 0 ADAERN CC[C@H]1C[C@]1(O)c1cnn(C)c1C 86200138 573302961 /nfs/dbraw/zinc/30/29/61/573302961.db2.gz CQMKVORSCBLVSN-WCBMZHEXSA-N 0 0 180.251 1.346 10 0 ADAERN c1ncc(CN2CCSCC2)cn1 306233675 573302963 /nfs/dbraw/zinc/30/29/63/573302963.db2.gz CUQCXICSVIOGIP-UHFFFAOYSA-N 0 0 195.291 1.025 10 0 ADAERN COc1cncc([C@](C)(O)C(C)C)c1 124008040 573302966 /nfs/dbraw/zinc/30/29/66/573302966.db2.gz JCFSYKXYKVANBN-LLVKDONJSA-N 0 0 195.262 1.954 10 0 ADAERN c1[nH+]c2c(n1C1CC1)NCCC2 106492709 573303026 /nfs/dbraw/zinc/30/30/26/573303026.db2.gz IBXYFKVUDWVXLH-UHFFFAOYSA-N 0 0 163.224 1.576 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1ccoc1 86200114 573303046 /nfs/dbraw/zinc/30/30/46/573303046.db2.gz FGANBZUCQAVYBN-VXNVDRBHSA-N 0 0 152.193 1.897 10 0 ADAERN CC(C)(O)[C@@H]1Cc2c(O)cccc2N1 258001524 573303048 /nfs/dbraw/zinc/30/30/48/573303048.db2.gz CCXYZHPUUSZERF-JTQLQIEISA-N 0 0 193.246 1.500 10 0 ADAERN C=CC(=O)NC[C@H]1CCC[C@H](CO)C1 308540944 573303053 /nfs/dbraw/zinc/30/30/53/573303053.db2.gz NYXSRQNNKGGCRU-UWVGGRQHSA-N 0 0 197.278 1.087 10 0 ADAERN Oc1ccccc1COc1cn[nH]c1 258285543 573303056 /nfs/dbraw/zinc/30/30/56/573303056.db2.gz BUWBVDRFNAEKRK-UHFFFAOYSA-N 0 0 190.202 1.694 10 0 ADAERN CC(=O)Cc1nc2cccc(C)n2n1 259408197 573303069 /nfs/dbraw/zinc/30/30/69/573303069.db2.gz IDZNHXWCTCPOKF-UHFFFAOYSA-N 0 0 189.218 1.169 10 0 ADAERN C[C@@H]1C[C@@]1(O)Cc1ccncc1 86198502 573303076 /nfs/dbraw/zinc/30/30/76/573303076.db2.gz ZNECGQAIZWITGD-PSASIEDQSA-N 0 0 163.220 1.395 10 0 ADAERN CCc1nnsc1[C@@]1(O)C[C@H]1C 86198522 573303085 /nfs/dbraw/zinc/30/30/85/573303085.db2.gz BADNTYPMKIZNRT-SVGQVSJJSA-N 0 0 184.264 1.328 10 0 ADAERN CC1(C)C[C@@]1(CO)c1ccccn1 259077935 573303099 /nfs/dbraw/zinc/30/30/99/573303099.db2.gz YZIXWGZOAFSEFI-LLVKDONJSA-N 0 0 177.247 1.742 10 0 ADAERN CC[C@@H]1C[C@]1(O)[C@@H]1CCCOC1 86199691 573303100 /nfs/dbraw/zinc/30/31/00/573303100.db2.gz FBEDFYVDYBTUJT-OPRDCNLKSA-N 0 0 170.252 1.574 10 0 ADAERN CC(C)[C@@H](C)NO 77946330 573303104 /nfs/dbraw/zinc/30/31/04/573303104.db2.gz YPORECDPLSEMDE-RXMQYKEDSA-N 0 0 103.165 1.010 10 0 ADAERN NOC[C@H]1Cc2c(F)cccc2S1 258285307 573303148 /nfs/dbraw/zinc/30/31/48/573303148.db2.gz UCPZPYAFNJQWLA-ZCFIWIBFSA-N 0 0 199.250 1.733 10 0 ADAERN CC[C@@H]1C[C@]1(O)CC 86199590 573303166 /nfs/dbraw/zinc/30/31/66/573303166.db2.gz NNWOXVVHNGTGED-RNFRBKRXSA-N 0 0 114.188 1.557 10 0 ADAERN C[C@@H](O)c1cccc(CCON)c1 259408439 573303168 /nfs/dbraw/zinc/30/31/68/573303168.db2.gz JOVYHLNFIWKQPF-MRVPVSSYSA-N 0 0 181.235 1.173 10 0 ADAERN CCOc1ccc(NCNN)cc1F 259076792 573303169 /nfs/dbraw/zinc/30/31/69/573303169.db2.gz MFHNNOUPEBHASM-UHFFFAOYSA-N 0 0 199.229 1.057 10 0 ADAERN C[NH2+][C@H](C)c1ccncc1NC(C)=O 238338651 573303189 /nfs/dbraw/zinc/30/31/89/573303189.db2.gz VDAAQZSPVPYLAO-SSDOTTSWSA-N 0 0 193.250 1.320 10 0 ADAERN O=C([O-])[C@@H](C1CC[NH2+]CC1)C1CC1 74299289 573303213 /nfs/dbraw/zinc/30/32/13/573303213.db2.gz BFBLVZYZDLQKQP-SECBINFHSA-N 0 0 183.251 1.097 10 0 ADAERN C[NH2+][C@H](C)c1cncc(C(=O)[O-])c1 238339200 573303256 /nfs/dbraw/zinc/30/32/56/573303256.db2.gz ULKPAKLRWKHLBF-ZCFIWIBFSA-N 0 0 180.207 1.060 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1cc(C)nn1CC 86199866 573303307 /nfs/dbraw/zinc/30/33/07/573303307.db2.gz AEMJIHSZGQAVDZ-MWLCHTKSSA-N 0 0 194.278 1.829 10 0 ADAERN C[C@@H]1C[C@@]1(O)[C@@H]1CCSC1 86198592 573303312 /nfs/dbraw/zinc/30/33/12/573303312.db2.gz LENRKHQNQZJECJ-PRJMDXOYSA-N 0 0 158.266 1.510 10 0 ADAERN C=Cc1ccnc(C)c1N 209767312 573303313 /nfs/dbraw/zinc/30/33/13/573303313.db2.gz ILPGDMHAVBZLIG-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN O=C([O-])[C@H]1CC[C@H]([NH+]2CCCC2)C1 74299359 573303315 /nfs/dbraw/zinc/30/33/15/573303315.db2.gz CSNUGXMKNJDMJJ-IUCAKERBSA-N 0 0 183.251 1.336 10 0 ADAERN CNC(=O)N(C)C1=CCCCC1 238339074 573303322 /nfs/dbraw/zinc/30/33/22/573303322.db2.gz BEZPQWQNPXFTSW-UHFFFAOYSA-N 0 0 168.240 1.716 10 0 ADAERN Nc1noc2c1[C@@H](F)CCC2 258625342 573303325 /nfs/dbraw/zinc/30/33/25/573303325.db2.gz WYNHKGQNMIIBHH-BYPYZUCNSA-N 0 0 156.160 1.604 10 0 ADAERN CO[C@@H]1NC(=O)[C@@H]2CC(C)=C(C)C[C@H]12 238338766 573303331 /nfs/dbraw/zinc/30/33/31/573303331.db2.gz IBOZLIDNDVSVBO-YWVKMMECSA-N 0 0 195.262 1.451 10 0 ADAERN CCC[C@H](C)[C@H](O)[C@@H](C)OC 233352458 573303455 /nfs/dbraw/zinc/30/34/55/573303455.db2.gz NXNVXYRXYDJZPZ-YIZRAAEISA-N 0 0 160.257 1.818 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1ccncc1 86199970 573303473 /nfs/dbraw/zinc/30/34/73/573303473.db2.gz FWTZSPVADLGNBC-PSASIEDQSA-N 0 0 163.220 1.699 10 0 ADAERN Cc1ccoc1Cn1cc(N)c(C)n1 716702695 573303487 /nfs/dbraw/zinc/30/34/87/573303487.db2.gz VCSYGRBMRZUAEU-UHFFFAOYSA-N 0 0 191.234 1.723 10 0 ADAERN C[C@@H]1CCO[C@H]1c1n[n-]c(=S)o1 124007777 573303494 /nfs/dbraw/zinc/30/34/94/573303494.db2.gz VMLORXGBZYUPLN-RFZPGFLSSA-N 0 0 186.236 1.456 10 0 ADAERN CC(C)OCC(=O)c1cncn1C 126063355 573303524 /nfs/dbraw/zinc/30/35/24/573303524.db2.gz QLFOVDCDLSOLRB-UHFFFAOYSA-N 0 0 182.223 1.028 10 0 ADAERN CC[C@@H]1C[C@@]1(O)c1cnn(C)c1C 86200140 573303532 /nfs/dbraw/zinc/30/35/32/573303532.db2.gz CQMKVORSCBLVSN-SCZZXKLOSA-N 0 0 180.251 1.346 10 0 ADAERN OCCCc1cccc2c[nH]nc12 257993414 573303537 /nfs/dbraw/zinc/30/35/37/573303537.db2.gz KYGPJAXZJHASAM-UHFFFAOYSA-N 0 0 176.219 1.488 10 0 ADAERN CCCc1ccc([C@@H](NC)NN)cc1 259077636 573303542 /nfs/dbraw/zinc/30/35/42/573303542.db2.gz CHGFRLRSUMPUOU-NSHDSACASA-N 0 0 193.294 1.320 10 0 ADAERN NOC[C@@H]1Cc2c(Cl)cccc2O1 258001466 573303552 /nfs/dbraw/zinc/30/35/52/573303552.db2.gz CCFSGOIVPVSWSW-LURJTMIESA-N 0 0 199.637 1.534 10 0 ADAERN CC[C@@H]1C[C@]1(O)c1ccncc1F 86199912 573303556 /nfs/dbraw/zinc/30/35/56/573303556.db2.gz XQPHMCCTPQRDEW-GMSGAONNSA-N 0 0 181.210 1.838 10 0 ADAERN NCc1ncc(-c2cncs2)o1 74302410 573303558 /nfs/dbraw/zinc/30/35/58/573303558.db2.gz PAQXSFAOELNURU-UHFFFAOYSA-N 0 0 181.220 1.257 10 0 ADAERN CCc1nnsc1[C@@]1(O)C[C@@H]1C 86198519 573303560 /nfs/dbraw/zinc/30/35/60/573303560.db2.gz BADNTYPMKIZNRT-YLWLKBPMSA-N 0 0 184.264 1.328 10 0 ADAERN C[C@@H](O)c1cccc(C2(O)CC2)c1 259408101 573303569 /nfs/dbraw/zinc/30/35/69/573303569.db2.gz JMFFHFFCJLUYLJ-MRVPVSSYSA-N 0 0 178.231 1.721 10 0 ADAERN CC[C@H]1C[C@@]1(O)c1c[nH]nc1C 86199614 573303577 /nfs/dbraw/zinc/30/35/77/573303577.db2.gz UYMJIINNWPDWBD-CBAPKCEASA-N 0 0 166.224 1.336 10 0 ADAERN Cc1ccc([C@@]2(C)NC[C@H](C)O2)o1 258285776 573302870 /nfs/dbraw/zinc/30/28/70/573302870.db2.gz BVQMGRSMSXRGQY-WPRPVWTQSA-N 0 0 181.235 1.769 10 0 ADAERN COC(=O)[C@@H](C)NCC1CC(C)(C)C1 308545676 573313903 /nfs/dbraw/zinc/31/39/03/573313903.db2.gz VUZFFDMMZKASSP-MRVPVSSYSA-N 0 0 199.294 1.574 10 0 ADAERN CC(C)[C@H](Cc1cnn(C)n1)[C@@H](C)O 308545876 573313938 /nfs/dbraw/zinc/31/39/38/573313938.db2.gz VQFRKSLNOKDFNZ-SCZZXKLOSA-N 0 0 197.282 1.011 10 0 ADAERN C[C@H](O)c1cccc(O[C@H](C)CO)c1 308545980 573313953 /nfs/dbraw/zinc/31/39/53/573313953.db2.gz NVWYUKHZTZYTCN-BDAKNGLRSA-N 0 0 196.246 1.500 10 0 ADAERN C=Cc1cnc(C)c(N)c1C 209765481 573313956 /nfs/dbraw/zinc/31/39/56/573313956.db2.gz UROIVDOGVMVFDZ-UHFFFAOYSA-N 0 0 148.209 1.924 10 0 ADAERN COc1cc(C(F)F)c(F)nc1N 238344723 573313208 /nfs/dbraw/zinc/31/32/08/573313208.db2.gz PPAJGWLBPXISIA-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CC[C@@H](CC(C)(C)C(=O)[O-])[NH+](C)C 259607003 573313218 /nfs/dbraw/zinc/31/32/18/573313218.db2.gz QSGIAZRUTKNWQA-QMMMGPOBSA-N 0 0 187.283 1.828 10 0 ADAERN COCc1c(CO)cccc1OC 258001202 573313238 /nfs/dbraw/zinc/31/32/38/573313238.db2.gz GJWNTNLOBGMLDI-UHFFFAOYSA-N 0 0 182.219 1.334 10 0 ADAERN C[C@@H](OC(C)(C)C)[C@H](N)c1nc[nH]n1 308546873 573313242 /nfs/dbraw/zinc/31/32/42/573313242.db2.gz OFZTWHGRICRBEO-RQJHMYQMSA-N 0 0 198.270 1.008 10 0 ADAERN COc1ccccc1[C@]1(CO)C[C@H]1C 259082512 573313245 /nfs/dbraw/zinc/31/32/45/573313245.db2.gz ZUEZVALKGWAVNW-SKDRFNHKSA-N 0 0 192.258 1.965 10 0 ADAERN CC(C)c1ccc(NC#N)nn1 259414125 573313275 /nfs/dbraw/zinc/31/32/75/573313275.db2.gz WJSYRMSSZWWMRY-UHFFFAOYSA-N 0 0 162.196 1.493 10 0 ADAERN CC/C(=C\[C@@H]1CCCOC1)CO 86209118 573313278 /nfs/dbraw/zinc/31/32/78/573313278.db2.gz GMHCCSQEAOPMNX-ZKXNXJMVSA-N 0 0 170.252 1.742 10 0 ADAERN COc1cc(C(F)F)c(N)c(=O)[nH]1 238346095 573313288 /nfs/dbraw/zinc/31/32/88/573313288.db2.gz FOGFWPZALLIYSW-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN CC(=O)[C@]1(F)CCCSC1 258627701 573313306 /nfs/dbraw/zinc/31/33/06/573313306.db2.gz XKWJPYAEISIMGE-ZETCQYMHSA-N 0 0 162.229 1.811 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1cc[nH]n1 86203440 573313321 /nfs/dbraw/zinc/31/33/21/573313321.db2.gz MQVISEZNYGVADE-APPZFPTMSA-N 0 0 166.224 1.417 10 0 ADAERN CNc1cnc(C)nc1C(F)(F)F 238345845 573313323 /nfs/dbraw/zinc/31/33/23/573313323.db2.gz PIWMLPDBACXNQW-UHFFFAOYSA-N 0 0 191.156 1.846 10 0 ADAERN CCCOC(=O)N(C)CCC 231266569 573313334 /nfs/dbraw/zinc/31/33/34/573313334.db2.gz BQEBBTLSXPLTDE-UHFFFAOYSA-N 0 0 159.229 1.875 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cnn(C)c1C 86203170 573313339 /nfs/dbraw/zinc/31/33/39/573313339.db2.gz OWSBWZTWHHVLAN-MWLCHTKSSA-N 0 0 194.278 1.736 10 0 ADAERN COC(=O)c1cccn1-c1ncco1 259413281 573313346 /nfs/dbraw/zinc/31/33/46/573313346.db2.gz KSLYKNBMPCMWBU-UHFFFAOYSA-N 0 0 192.174 1.252 10 0 ADAERN CCn1cnc([C@H](CC(C)C)NN)c1 308546513 573313362 /nfs/dbraw/zinc/31/33/62/573313362.db2.gz OAUAPUDSEHMJAP-VIFPVBQESA-N 0 0 196.298 1.454 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)[C@@H]1CCOC1 86203188 573313368 /nfs/dbraw/zinc/31/33/68/573313368.db2.gz XAKQXKZHJTUDNC-BBBLOLIVSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@@H]([NH2+]C)C1(C(=O)[O-])CCC1 259415354 573313378 /nfs/dbraw/zinc/31/33/78/573313378.db2.gz XWPAYEBLBMEYJQ-SSDOTTSWSA-N 0 0 171.240 1.239 10 0 ADAERN CCc1cc([C@H](C)O)co1 238345026 573313410 /nfs/dbraw/zinc/31/34/10/573313410.db2.gz MERJBGWXGZWCTO-LURJTMIESA-N 0 0 140.182 1.895 10 0 ADAERN CCC[C@@H]1C[C@]1(O)c1cc(C)nn1C 86203092 573313411 /nfs/dbraw/zinc/31/34/11/573313411.db2.gz LHFCKAAHQNTNFB-MWLCHTKSSA-N 0 0 194.278 1.736 10 0 ADAERN CCC[C@H]1C[C@]1(O)c1cnns1 86203455 573313415 /nfs/dbraw/zinc/31/34/15/573313415.db2.gz XOEIMARPXRLOOV-POYBYMJQSA-N 0 0 184.264 1.546 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]C[C@H](C)C1CC1 132517956 573313416 /nfs/dbraw/zinc/31/34/16/573313416.db2.gz FWASCDGJYQBQAH-DTWKUNHWSA-N 0 0 199.294 1.875 10 0 ADAERN CO[C@H](C)CN(C)c1cncc(N)c1 393661508 573313423 /nfs/dbraw/zinc/31/34/23/573313423.db2.gz XIOFBUFTKDZXIM-MRVPVSSYSA-N 0 0 195.266 1.135 10 0 ADAERN O=Cc1nccc(-c2cc[nH]c2)n1 259081248 573313436 /nfs/dbraw/zinc/31/34/36/573313436.db2.gz LXZZVRCUWDEUPP-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN COc1cc(C(F)F)c(O)c(N)n1 238346805 573313437 /nfs/dbraw/zinc/31/34/37/573313437.db2.gz 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238348762 573314653 /nfs/dbraw/zinc/31/46/53/573314653.db2.gz LQBLTKPLSGHUAX-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN Cn1cccc1-c1ccc(N)nc1 74309660 573314662 /nfs/dbraw/zinc/31/46/62/573314662.db2.gz HARTYSVFLDUBGL-UHFFFAOYSA-N 0 0 173.219 1.669 10 0 ADAERN Cc1ccn(-c2ccc(C=O)o2)n1 74308405 573314676 /nfs/dbraw/zinc/31/46/76/573314676.db2.gz LALQHGFDWZIPJN-UHFFFAOYSA-N 0 0 176.175 1.586 10 0 ADAERN CCC[C@@H]1C[C@@]1(O)c1snnc1C 86203116 573314679 /nfs/dbraw/zinc/31/46/79/573314679.db2.gz DCXAAWXHDOKNLM-APPZFPTMSA-N 0 0 198.291 1.854 10 0 ADAERN C[C@@H]1C[C@@H](O)c2ncnc(Cl)c21 116938549 573314682 /nfs/dbraw/zinc/31/46/82/573314682.db2.gz JQHOLWVVKLMTNN-RFZPGFLSSA-N 0 0 184.626 1.671 10 0 ADAERN Cc1cccc(N)c1-n1cccn1 74309643 573314685 /nfs/dbraw/zinc/31/46/85/573314685.db2.gz XVHYKCMKDPKRLN-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN CC[C@@H](C)/C=C/CO 86209641 573314687 /nfs/dbraw/zinc/31/46/87/573314687.db2.gz JFYHKJAFXHUHEH-SMMXGFFBSA-N 0 0 114.188 1.581 10 0 ADAERN 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DHPBLSIFTZJGKV-UHFFFAOYSA-N 0 0 195.062 1.226 10 0 ADAERN CC[C@H](C)N(CCO)C(=O)[C@@H]1C[C@H]1C 308546114 573314925 /nfs/dbraw/zinc/31/49/25/573314925.db2.gz PRCYPLIKFKTDHN-KXUCPTDWSA-N 0 0 199.294 1.262 10 0 ADAERN CC[C@@H](OC)[C@@H](O)CCC1CC1 132527039 573314942 /nfs/dbraw/zinc/31/49/42/573314942.db2.gz XDMONCWMHFISLW-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1coc([C@]2(O)CC[C@H](C)OC2)c1 715764800 573314974 /nfs/dbraw/zinc/31/49/74/573314974.db2.gz XNLJHQLEXASGGH-ONGXEEELSA-N 0 0 196.246 1.975 10 0 ADAERN CN(C)c1ccc2[nH]cc(C=O)c2n1 258000961 573314975 /nfs/dbraw/zinc/31/49/75/573314975.db2.gz LWFFVWXRKMHSSM-UHFFFAOYSA-N 0 0 189.218 1.441 10 0 ADAERN CC(=O)c1cnn(CC(=O)C(C)C)c1 308546968 573315003 /nfs/dbraw/zinc/31/50/03/573315003.db2.gz OJEWCSMEGARBDI-UHFFFAOYSA-N 0 0 194.234 1.311 10 0 ADAERN CC[C@H](C)N(CCO)C(=O)[C@@H]1C[C@@H]1C 308546115 573315008 /nfs/dbraw/zinc/31/50/08/573315008.db2.gz PRCYPLIKFKTDHN-LPEHRKFASA-N 0 0 199.294 1.262 10 0 ADAERN O=Cc1ncoc1-c1cccnc1 74309376 573315121 /nfs/dbraw/zinc/31/51/21/573315121.db2.gz YOKCCDAKPBGTFH-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CCn1cnc([C@@H](CC(C)C)NN)c1 308546510 573315048 /nfs/dbraw/zinc/31/50/48/573315048.db2.gz OAUAPUDSEHMJAP-SECBINFHSA-N 0 0 196.298 1.454 10 0 ADAERN C[C@H](O)c1ccc(O)c(F)c1O 258000897 573315056 /nfs/dbraw/zinc/31/50/56/573315056.db2.gz LVEYZZNRXFDWOT-BYPYZUCNSA-N 0 0 172.155 1.290 10 0 ADAERN NOCCc1c(F)cccc1Cl 258001361 573315065 /nfs/dbraw/zinc/31/50/65/573315065.db2.gz GNIHJOOKHPQMJE-UHFFFAOYSA-N 0 0 189.617 1.912 10 0 ADAERN C[NH2+][C@@H](C[C@H](C)C(=O)[O-])c1ccc[nH]1 259415455 573315092 /nfs/dbraw/zinc/31/50/92/573315092.db2.gz NGHDZRNJUOTAMI-CBAPKCEASA-N 0 0 196.250 1.386 10 0 ADAERN O[C@H]1COC[C@@H]1CCc1ccccc1 687958777 573315093 /nfs/dbraw/zinc/31/50/93/573315093.db2.gz GZKDOBPKXIMMPL-RYUDHWBXSA-N 0 0 192.258 1.627 10 0 ADAERN CC(C)[C@@H](O)c1cc[nH]n1 117030993 573315097 /nfs/dbraw/zinc/31/50/97/573315097.db2.gz LJMRRQOMQFNTNF-SSDOTTSWSA-N 0 0 140.186 1.099 10 0 ADAERN Cc1cc(N)cc(-n2ccnc2)c1 74309625 573315101 /nfs/dbraw/zinc/31/51/01/573315101.db2.gz NHBXLQUTDHZXRQ-UHFFFAOYSA-N 0 0 173.219 1.763 10 0 ADAERN COC(=O)[C@@H]1COCc2ccccc21 238342290 573324247 /nfs/dbraw/zinc/32/42/47/573324247.db2.gz DIOUTBPUBVJRLO-SNVBAGLBSA-N 0 0 192.214 1.473 10 0 ADAERN Nc1cc2scnc2cc1O 74337929 573324275 /nfs/dbraw/zinc/32/42/75/573324275.db2.gz PHUKOBHWYVHUGD-UHFFFAOYSA-N 0 0 166.205 1.584 10 0 ADAERN CC(C)(C)[C@@H]1CC[NH2+][C@@H]1C(=O)[O-] 86229323 573324279 /nfs/dbraw/zinc/32/42/79/573324279.db2.gz BORWRDJMCFDQPY-RQJHMYQMSA-N 0 0 171.240 1.095 10 0 ADAERN O=C1CC(=O)CC(C2CCOCC2)C1 117248932 573324283 /nfs/dbraw/zinc/32/42/83/573324283.db2.gz YANWVVUHMDATCN-UHFFFAOYSA-N 0 0 196.246 1.351 10 0 ADAERN CC[C@H](C)[C@H]1CC[NH2+][C@@H]1C(=O)[O-] 86229411 573324294 /nfs/dbraw/zinc/32/42/94/573324294.db2.gz QWKIDLMVODFEMB-RNJXMRFFSA-N 0 0 171.240 1.095 10 0 ADAERN Cc1c(N)ccc2cn(C)nc12 259606518 573324298 /nfs/dbraw/zinc/32/42/98/573324298.db2.gz ZRMBMUGVURQYOA-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN CC1=N[C@@H]2CC[C@H](O)C[C@H]2S1 258004264 573324306 /nfs/dbraw/zinc/32/43/06/573324306.db2.gz OZVTXIGHWSPJIH-XLPZGREQSA-N 0 0 171.265 1.434 10 0 ADAERN Nc1ccsc1-c1ncco1 74337958 573324310 /nfs/dbraw/zinc/32/43/10/573324310.db2.gz YCDIBDFZFIZLIF-UHFFFAOYSA-N 0 0 166.205 1.985 10 0 ADAERN CCc1n[nH]c(CC)c1[C@H](O)CC 132607607 573324311 /nfs/dbraw/zinc/32/43/11/573324311.db2.gz KNSBWFUMMKYQIP-SECBINFHSA-N 0 0 182.267 1.978 10 0 ADAERN CCC1([C@H]([NH2+]C)c2cn(C)cn2)CC1 308552648 573324329 /nfs/dbraw/zinc/32/43/29/573324329.db2.gz SPUQHAAUHWUNAS-SNVBAGLBSA-N 0 0 193.294 1.871 10 0 ADAERN CCN(c1ccc(F)cc1)C(N)N=N 82955383 573324333 /nfs/dbraw/zinc/32/43/33/573324333.db2.gz ZGAZEDKNPWVPDU-UHFFFAOYSA-N 0 0 196.229 1.050 10 0 ADAERN CN[C@@H](O)c1cc(F)ccc1F 259606616 573324362 /nfs/dbraw/zinc/32/43/62/573324362.db2.gz YHBZYJZCGYLLNN-QMMMGPOBSA-N 0 0 173.162 1.175 10 0 ADAERN COc1ccc(C(C)=O)nc1Cl 238352643 573324375 /nfs/dbraw/zinc/32/43/75/573324375.db2.gz PBWQCYQDOWKVMA-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN CCCC(C)(C)N1C(=O)CNC[C@H]1C 106875822 573324391 /nfs/dbraw/zinc/32/43/91/573324391.db2.gz BNASDMVSLGSYGW-SECBINFHSA-N 0 0 198.310 1.385 10 0 ADAERN C[C@@H](O)CCc1ccc(N(C)C)nc1 308553599 573324402 /nfs/dbraw/zinc/32/44/02/573324402.db2.gz RBONRAPYPNGTPQ-SECBINFHSA-N 0 0 194.278 1.461 10 0 ADAERN Cn1ccnc1-c1ccc(N)cc1F 78013174 573324412 /nfs/dbraw/zinc/32/44/12/573324412.db2.gz PBCPYNKRSVWROT-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN C[C@@H](CC1CCOCC1)ON 259417488 573324417 /nfs/dbraw/zinc/32/44/17/573324417.db2.gz JLHCHFZKGSJLAW-ZETCQYMHSA-N 0 0 159.229 1.082 10 0 ADAERN CC[C@@H](O)c1ccc(OC)nc1OC 308553244 573324438 /nfs/dbraw/zinc/32/44/38/573324438.db2.gz YLMCTQYRQPJSKL-MRVPVSSYSA-N 0 0 197.234 1.542 10 0 ADAERN CCn1cnc(C(=O)[C@@](C)(O)CC)c1 308552805 573324444 /nfs/dbraw/zinc/32/44/44/573324444.db2.gz QVCVUPCBBOEVJE-JTQLQIEISA-N 0 0 196.250 1.247 10 0 ADAERN COC[C@@]12CCC[C@@H](C1)C2=O 238341579 573324445 /nfs/dbraw/zinc/32/44/45/573324445.db2.gz NOBKHMICGYKKPR-IONNQARKSA-N 0 0 154.209 1.392 10 0 ADAERN CNc1ccccc1C1=NC[C@H](C)O1 238341252 573324454 /nfs/dbraw/zinc/32/44/54/573324454.db2.gz CGPDULAVHNMSMT-QMMMGPOBSA-N 0 0 190.246 1.894 10 0 ADAERN C[C@@H]1CNCC(=O)N1CCC(C)(C)C 106875799 573324478 /nfs/dbraw/zinc/32/44/78/573324478.db2.gz MKHLNRHIAOJWLA-SECBINFHSA-N 0 0 198.310 1.243 10 0 ADAERN CCn1cnc(C(=O)[C@](C)(O)CC)c1 308552806 573324503 /nfs/dbraw/zinc/32/45/03/573324503.db2.gz QVCVUPCBBOEVJE-SNVBAGLBSA-N 0 0 196.250 1.247 10 0 ADAERN C[C@@H]1COCc2[nH]c(C=O)cc21 74339498 573324505 /nfs/dbraw/zinc/32/45/05/573324505.db2.gz OPWGRSOPGNEUIL-ZCFIWIBFSA-N 0 0 165.192 1.461 10 0 ADAERN CC1(C)NCCN(C2CCCC2)C1=O 106873684 573324526 /nfs/dbraw/zinc/32/45/26/573324526.db2.gz JFIJNMOLXAUGMZ-UHFFFAOYSA-N 0 0 196.294 1.139 10 0 ADAERN CC(C)Cc1cnc([C@H](C)N)o1 74333436 573324593 /nfs/dbraw/zinc/32/45/93/573324593.db2.gz KCSGGAPQGPEUKS-ZETCQYMHSA-N 0 0 168.240 1.893 10 0 ADAERN CC(=O)[C@H](F)[C@H]1CCCO1 258629534 573324594 /nfs/dbraw/zinc/32/45/94/573324594.db2.gz XMYKYAXWHQYIDA-RQJHMYQMSA-N 0 0 146.161 1.093 10 0 ADAERN C[C@@H](O)c1coc([C@@H]2CCCO2)n1 258003847 573324602 /nfs/dbraw/zinc/32/46/02/573324602.db2.gz IQMFYDGPCCPDJU-SVRRBLITSA-N 0 0 183.207 1.579 10 0 ADAERN O=Cc1coc(C[C@@H]2CCSC2)n1 258003927 573324614 /nfs/dbraw/zinc/32/46/14/573324614.db2.gz IRPNYBWNRTUTMO-ZETCQYMHSA-N 0 0 197.259 1.783 10 0 ADAERN CC(=O)[C@@H](C)C[C@H]1CCCC1=O 197319905 573324872 /nfs/dbraw/zinc/32/48/72/573324872.db2.gz IEIWWJBTNOOABJ-IONNQARKSA-N 0 0 168.236 1.971 10 0 ADAERN C[C@H](O)c1coc([C@@H]2CCCO2)n1 258003850 573324636 /nfs/dbraw/zinc/32/46/36/573324636.db2.gz IQMFYDGPCCPDJU-XPUUQOCRSA-N 0 0 183.207 1.579 10 0 ADAERN O=C1C[C@H]2C(=O)Nc3cccc(c32)N1 117207633 573324654 /nfs/dbraw/zinc/32/46/54/573324654.db2.gz AMHMLEQNEMNQLX-RXMQYKEDSA-N 0 0 188.186 1.065 10 0 ADAERN CCC(=O)[C@@H](C)[S@@](=O)CC(C)C 82954425 573324665 /nfs/dbraw/zinc/32/46/65/573324665.db2.gz MMEVIKSGMPJHOS-PRHODGIISA-N 0 0 190.308 1.759 10 0 ADAERN CC(C)(C)[C@H]1CC[NH2+][C@@H]1C(=O)[O-] 86229324 573324666 /nfs/dbraw/zinc/32/46/66/573324666.db2.gz BORWRDJMCFDQPY-BQBZGAKWSA-N 0 0 171.240 1.095 10 0 ADAERN Cc1nc(C=O)[nH]c1C(C)C 258631399 573324667 /nfs/dbraw/zinc/32/46/67/573324667.db2.gz XWKGPEIDXFCKBF-UHFFFAOYSA-N 0 0 152.197 1.654 10 0 ADAERN CC(C)CC(C)(C)N1CCNCC1=O 106875817 573324675 /nfs/dbraw/zinc/32/46/75/573324675.db2.gz QUPQVSUGXYHIPD-UHFFFAOYSA-N 0 0 198.310 1.243 10 0 ADAERN [NH3+][C@@H]1CCc2ccccc2[C@H]1C(=O)[O-] 117186913 573324715 /nfs/dbraw/zinc/32/47/15/573324715.db2.gz RZFVSHCAXBGXHO-NXEZZACHSA-N 0 0 191.230 1.128 10 0 ADAERN CCOCC(=O)c1ccc(OC)nc1 308553936 573324795 /nfs/dbraw/zinc/32/47/95/573324795.db2.gz YOVQRQPUYXTOQF-UHFFFAOYSA-N 0 0 195.218 1.309 10 0 ADAERN CCc1ccc(CCO)o1 82954994 573324796 /nfs/dbraw/zinc/32/47/96/573324796.db2.gz DDKDCYZOUXLQCM-UHFFFAOYSA-N 0 0 140.182 1.377 10 0 ADAERN CC(C)C[C@H]1CNCC(=O)N1C(C)C 106875651 573324812 /nfs/dbraw/zinc/32/48/12/573324812.db2.gz JDXSZJWHQCABFU-JTQLQIEISA-N 0 0 198.310 1.241 10 0 ADAERN CC1=N[C@@H]2CC[C@H](O)C[C@@H]2S1 258004261 573324813 /nfs/dbraw/zinc/32/48/13/573324813.db2.gz OZVTXIGHWSPJIH-RNJXMRFFSA-N 0 0 171.265 1.434 10 0 ADAERN Cc1ccc(NC(=O)OCCO)cc1 86232079 573324827 /nfs/dbraw/zinc/32/48/27/573324827.db2.gz LTQXIRBCKQLMLB-UHFFFAOYSA-N 0 0 195.218 1.536 10 0 ADAERN COc1ccc(C(=O)[C@H](C)O)cc1F 106875166 573324828 /nfs/dbraw/zinc/32/48/28/573324828.db2.gz RKOYRSQOAVFUPD-LURJTMIESA-N 0 0 198.193 1.398 10 0 ADAERN O=Cc1n[nH]c2c1CCSC2 74333848 573325634 /nfs/dbraw/zinc/32/56/34/573325634.db2.gz WEGXNWWDRZJROA-UHFFFAOYSA-N 0 0 168.221 1.012 10 0 ADAERN CC(C)C[C@@H]1CNCC(=O)N1C(C)C 106875649 573324877 /nfs/dbraw/zinc/32/48/77/573324877.db2.gz JDXSZJWHQCABFU-SNVBAGLBSA-N 0 0 198.310 1.241 10 0 ADAERN Nc1cc([C@@H]2CCOC2)nnc1Cl 259417436 573324880 /nfs/dbraw/zinc/32/48/80/573324880.db2.gz JKUVUZCKOPAMQW-RXMQYKEDSA-N 0 0 199.641 1.216 10 0 ADAERN C[C@@H](O)C(=O)Oc1cccc(F)c1 117235349 573324892 /nfs/dbraw/zinc/32/48/92/573324892.db2.gz UPPYCGUEHYWWFL-ZCFIWIBFSA-N 0 0 184.166 1.112 10 0 ADAERN COC(=N)[C@H](O)c1cccc(F)c1 238343384 573324919 /nfs/dbraw/zinc/32/49/19/573324919.db2.gz IIDXUFCVLFVPRV-MRVPVSSYSA-N 0 0 183.182 1.483 10 0 ADAERN COc1ccccc1C(=O)C[C@@H](C)O 238343184 573324937 /nfs/dbraw/zinc/32/49/37/573324937.db2.gz XHHOGYCDHXNVFF-MRVPVSSYSA-N 0 0 194.230 1.649 10 0 ADAERN OC[C@@H](F)C1CCSCC1 258629519 573324938 /nfs/dbraw/zinc/32/49/38/573324938.db2.gz XMMYBAOOYYXCQM-SSDOTTSWSA-N 0 0 164.245 1.460 10 0 ADAERN CC(C)(C)NC(=O)[C@H]1CCCC(=O)C1 106874625 573324940 /nfs/dbraw/zinc/32/49/40/573324940.db2.gz LHHXBBKLUGRIPT-QMMMGPOBSA-N 0 0 197.278 1.660 10 0 ADAERN C[C@H]1CNCC(=O)N1C1CCCCC1 106873626 573324982 /nfs/dbraw/zinc/32/49/82/573324982.db2.gz DOGMJCHTAKTOBL-VIFPVBQESA-N 0 0 196.294 1.139 10 0 ADAERN COCCn1ncc(OC)c1Cl 258492308 573324983 /nfs/dbraw/zinc/32/49/83/573324983.db2.gz LSIKVWLZNAZAPA-UHFFFAOYSA-N 0 0 190.630 1.192 10 0 ADAERN Nc1cn(C2CCCCC2)cnc1=O 258004071 573325015 /nfs/dbraw/zinc/32/50/15/573325015.db2.gz XGECKPPIMACKPM-UHFFFAOYSA-N 0 0 193.250 1.331 10 0 ADAERN COC(=O)[C@@H]1C[C@@H](C)C(=O)[C@@H]1C 238344017 573325053 /nfs/dbraw/zinc/32/50/53/573325053.db2.gz NKUWNUPRIYXPEP-FSDSQADBSA-N 0 0 170.208 1.021 10 0 ADAERN CCN[C@H](C)c1nnc(C2(C)CC2)o1 308553124 573325093 /nfs/dbraw/zinc/32/50/93/573325093.db2.gz TTYKJEQZYMNOAD-SSDOTTSWSA-N 0 0 195.266 1.792 10 0 ADAERN COC(=N)c1ccc(O)cc1O 238343969 573325103 /nfs/dbraw/zinc/32/51/03/573325103.db2.gz IAJZAETUAPPONH-UHFFFAOYSA-N 0 0 167.164 1.070 10 0 ADAERN COc1ccc([C@@H](O)C(C)=O)cc1F 106875158 573325106 /nfs/dbraw/zinc/32/51/06/573325106.db2.gz UPUYOHGYIFAXFL-JTQLQIEISA-N 0 0 198.193 1.457 10 0 ADAERN CCC(=O)[C@@H](C)N1CCO[C@H](C)C1 82953806 573325145 /nfs/dbraw/zinc/32/51/45/573325145.db2.gz TZICGDKVZAHVNO-RKDXNWHRSA-N 0 0 185.267 1.075 10 0 ADAERN COC(=N)Sc1ccc[nH]1 238342650 573325152 /nfs/dbraw/zinc/32/51/52/573325152.db2.gz LCHMYFJJELFYIO-UHFFFAOYSA-N 0 0 156.210 1.688 10 0 ADAERN Cc1nc(N)oc1-c1ccccn1 258630221 573325161 /nfs/dbraw/zinc/32/51/61/573325161.db2.gz RDRKLJXQNLQRLZ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN O=C1CNCN1c1ccccc1Cl 106873918 573325170 /nfs/dbraw/zinc/32/51/70/573325170.db2.gz QNBYWCRETFISEE-UHFFFAOYSA-N 0 0 196.637 1.234 10 0 ADAERN CC(C)(C)[N@@H+]1CC[C@@](C)(CC(=O)[O-])C1 259417332 573325177 /nfs/dbraw/zinc/32/51/77/573325177.db2.gz NEFNUKLAFNBXNN-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN CCc1cc([C@@H](C)O)co1 238344129 573325189 /nfs/dbraw/zinc/32/51/89/573325189.db2.gz MERJBGWXGZWCTO-ZCFIWIBFSA-N 0 0 140.182 1.895 10 0 ADAERN [NH3+][C@](C(=O)[O-])(C1CCCCC1)C1CC1 106874574 573325204 /nfs/dbraw/zinc/32/52/04/573325204.db2.gz GVTOHGAJWMGDPB-LLVKDONJSA-N 0 0 197.278 1.759 10 0 ADAERN CCc1nc([C@@H](C)N)oc1CC 74333363 573325218 /nfs/dbraw/zinc/32/52/18/573325218.db2.gz LGHBWGRTUFZUAF-ZCFIWIBFSA-N 0 0 168.240 1.819 10 0 ADAERN Cc1cc(O)c2c(c1O)OCO2 117184126 573325228 /nfs/dbraw/zinc/32/52/28/573325228.db2.gz BVWJFDHKOJMNQI-UHFFFAOYSA-N 0 0 168.148 1.135 10 0 ADAERN COc1ccccc1C(=O)C(N)=S 238342781 573325256 /nfs/dbraw/zinc/32/52/56/573325256.db2.gz YKPINSRABOHMOB-UHFFFAOYSA-N 0 0 195.243 1.164 10 0 ADAERN C/C=C(/Br)C(=O)OCC 141013953 573325274 /nfs/dbraw/zinc/32/52/74/573325274.db2.gz YHGVZVYRHWZVKI-HWKANZROSA-N 0 0 193.040 1.848 10 0 ADAERN CC1(C)C[C@H](O)CCN1C(=O)C1CC1 106874649 573325275 /nfs/dbraw/zinc/32/52/75/573325275.db2.gz YZRLNQCFIRUULJ-SECBINFHSA-N 0 0 197.278 1.158 10 0 ADAERN CCc1cc(CC)n(CCF)n1 132630768 573325291 /nfs/dbraw/zinc/32/52/91/573325291.db2.gz JTFZOYLIICZCJY-UHFFFAOYSA-N 0 0 170.231 1.977 10 0 ADAERN CC(=O)[C@@H](F)[C@@H]1CCCO1 258629532 573325330 /nfs/dbraw/zinc/32/53/30/573325330.db2.gz XMYKYAXWHQYIDA-NKWVEPMBSA-N 0 0 146.161 1.093 10 0 ADAERN O=C1C[C@@H](O)c2ccc(F)cc21 197319193 573325340 /nfs/dbraw/zinc/32/53/40/573325340.db2.gz CZQXSLRAPYFHQY-MRVPVSSYSA-N 0 0 166.151 1.446 10 0 ADAERN COC(=N)[C@@H](O)c1ccc(F)cc1 238342907 573325346 /nfs/dbraw/zinc/32/53/46/573325346.db2.gz DDQFIVRGJMBNIK-QMMMGPOBSA-N 0 0 183.182 1.483 10 0 ADAERN O=C(Nc1ccsc1)OCCO 86232894 573325354 /nfs/dbraw/zinc/32/53/54/573325354.db2.gz FJZHQQCPWJGPKP-UHFFFAOYSA-N 0 0 187.220 1.289 10 0 ADAERN CCCn1ncc(CO)c1Cl 258004202 573325357 /nfs/dbraw/zinc/32/53/57/573325357.db2.gz OYXCYCMIMIQMBJ-UHFFFAOYSA-N 0 0 174.631 1.439 10 0 ADAERN Cc1cnc([C@@H](N)c2ccccc2)nc1 132633004 573325378 /nfs/dbraw/zinc/32/53/78/573325378.db2.gz BYLLZULAGFCVJU-NSHDSACASA-N 0 0 199.257 1.833 10 0 ADAERN Cc1cnc([C@@H](O)COC(C)C)nc1 132597424 573325397 /nfs/dbraw/zinc/32/53/97/573325397.db2.gz UPXGFQCIVHOIMG-VIFPVBQESA-N 0 0 196.250 1.243 10 0 ADAERN Cc1ccccc1NC(=O)OCCO 86232092 573325401 /nfs/dbraw/zinc/32/54/01/573325401.db2.gz CVQSSJWVGYDWMX-UHFFFAOYSA-N 0 0 195.218 1.536 10 0 ADAERN Cc1cnc([C@H](N)COC(C)C)nc1 132648739 573325411 /nfs/dbraw/zinc/32/54/11/573325411.db2.gz PJBZJZBJAOABTG-SECBINFHSA-N 0 0 195.266 1.210 10 0 ADAERN OC1(c2ccc3cnncc3c2)CC1 258003945 573325421 /nfs/dbraw/zinc/32/54/21/573325421.db2.gz GUZSTNBYGPAQHX-UHFFFAOYSA-N 0 0 186.214 1.611 10 0 ADAERN COC(=O)[C@H]1C[C@H](O)c2ccccc21 238342724 573325460 /nfs/dbraw/zinc/32/54/60/573325460.db2.gz YHTJGJHKUMONAC-UWVGGRQHSA-N 0 0 192.214 1.380 10 0 ADAERN CO[C@H]1CCC(=O)C1(C)C 238344170 573325467 /nfs/dbraw/zinc/32/54/67/573325467.db2.gz GTUHSENBKGQKBW-ZETCQYMHSA-N 0 0 142.198 1.391 10 0 ADAERN COc1ccc(F)cc1[C@@H](O)C(C)=O 106875162 573325468 /nfs/dbraw/zinc/32/54/68/573325468.db2.gz MTXKZRCHLSCFGU-JTQLQIEISA-N 0 0 198.193 1.457 10 0 ADAERN CNC(=O)c1cccc(OC)c1Cl 238343338 573325496 /nfs/dbraw/zinc/32/54/96/573325496.db2.gz OUMKRGGWJDZSOR-UHFFFAOYSA-N 0 0 199.637 1.708 10 0 ADAERN CC(C)c1ccccc1NCNN 258629829 573325497 /nfs/dbraw/zinc/32/54/97/573325497.db2.gz KOBMNZFAGUWWAU-UHFFFAOYSA-N 0 0 179.267 1.643 10 0 ADAERN C/C=C/[C@H]1NC(C)(C)S[C@H]1OC 238353115 573325500 /nfs/dbraw/zinc/32/55/00/573325500.db2.gz IHYYVXVBBPCXHC-ZZTMBZGHSA-N 0 0 187.308 1.976 10 0 ADAERN CCCc1nnc(C)nc1NC 259419188 573325504 /nfs/dbraw/zinc/32/55/04/573325504.db2.gz ZVSYHIASDDYQPW-UHFFFAOYSA-N 0 0 166.228 1.174 10 0 ADAERN CCc1cc(SC)nc(CO)n1 238343670 573325514 /nfs/dbraw/zinc/32/55/14/573325514.db2.gz UGISFLAZXAOIHG-UHFFFAOYSA-N 0 0 184.264 1.253 10 0 ADAERN COC(=N)c1cncc(OC)c1 238344216 573325521 /nfs/dbraw/zinc/32/55/21/573325521.db2.gz IXSRPLHCUALFDE-UHFFFAOYSA-N 0 0 166.180 1.062 10 0 ADAERN CCC[NH2+]Cc1nnc(C2(C)CC2)o1 308552698 573325530 /nfs/dbraw/zinc/32/55/30/573325530.db2.gz STXCWOMOYXVFQA-UHFFFAOYSA-N 0 0 195.266 1.621 10 0 ADAERN CC(C)C(=O)N1CCC(=O)CC1(C)C 106874646 573325535 /nfs/dbraw/zinc/32/55/35/573325535.db2.gz OTXDOLDKEDGSHO-UHFFFAOYSA-N 0 0 197.278 1.613 10 0 ADAERN CCc1nn(C)c(CC)c1[C@H](O)CC 132607206 573325539 /nfs/dbraw/zinc/32/55/39/573325539.db2.gz SWYWPGPKCDJRBF-SNVBAGLBSA-N 0 0 196.294 1.988 10 0 ADAERN CC(C)CCc1nc(CO)cc(=O)[nH]1 308553855 573325551 /nfs/dbraw/zinc/32/55/51/573325551.db2.gz UFMXQGOYABNVIE-UHFFFAOYSA-N 0 0 196.250 1.263 10 0 ADAERN CC(C)(O)CCn1ccc(=O)cc1 86234510 573325558 /nfs/dbraw/zinc/32/55/58/573325558.db2.gz JDSROXYXRLRZLN-UHFFFAOYSA-N 0 0 181.235 1.009 10 0 ADAERN C[C@H]1CCn2cc(CCO)nc2C1 258628993 573325625 /nfs/dbraw/zinc/32/56/25/573325625.db2.gz WHQIIPUDYUPSOQ-QMMMGPOBSA-N 0 0 180.251 1.000 10 0 ADAERN O=Cc1cc(F)c(F)cc1CO 259606746 573325627 /nfs/dbraw/zinc/32/56/27/573325627.db2.gz DJRWVRMXJBTZBP-UHFFFAOYSA-N 0 0 172.130 1.270 10 0 ADAERN C[C@H](O)c1coc([C@H]2CCCO2)n1 258003844 573325648 /nfs/dbraw/zinc/32/56/48/573325648.db2.gz IQMFYDGPCCPDJU-POYBYMJQSA-N 0 0 183.207 1.579 10 0 ADAERN NCc1ncc(C2CCCC2)o1 74337768 573325665 /nfs/dbraw/zinc/32/56/65/573325665.db2.gz JSLSLRWWXBBXJD-UHFFFAOYSA-N 0 0 166.224 1.791 10 0 ADAERN COc1ccc(Cl)cc1C(N)N 259418480 573325701 /nfs/dbraw/zinc/32/57/01/573325701.db2.gz OXYWAHVSQDIRQJ-UHFFFAOYSA-N 0 0 186.642 1.265 10 0 ADAERN CC(C)=CC(=O)Nc1cccc(N)n1 117189686 573325710 /nfs/dbraw/zinc/32/57/10/573325710.db2.gz ZQFOXDBPAAESTN-UHFFFAOYSA-N 0 0 191.234 1.569 10 0 ADAERN NOCc1cc2ccc(O)cc2o1 258004332 573325748 /nfs/dbraw/zinc/32/57/48/573325748.db2.gz CGAADPDJRFLMJB-UHFFFAOYSA-N 0 0 179.175 1.529 10 0 ADAERN Cc1cnc([C@H](O)COC(C)C)nc1 132597251 573325789 /nfs/dbraw/zinc/32/57/89/573325789.db2.gz UPXGFQCIVHOIMG-SECBINFHSA-N 0 0 196.250 1.243 10 0 ADAERN CN[C@@H](NN)c1cc(C)c(C)cc1C 259419167 573325792 /nfs/dbraw/zinc/32/57/92/573325792.db2.gz YDMIBUUZPPUEKV-NSHDSACASA-N 0 0 193.294 1.293 10 0 ADAERN CCC(=O)[C@H](C)[S@](=O)C(C)C 82954452 573325821 /nfs/dbraw/zinc/32/58/21/573325821.db2.gz OGAATWDGLMEOIY-CPCISQLKSA-N 0 0 176.281 1.511 10 0 ADAERN CCC(=O)[C@@H](C)[S@@](=O)C(C)C 82954449 573325876 /nfs/dbraw/zinc/32/58/76/573325876.db2.gz OGAATWDGLMEOIY-RDDDGLTNSA-N 0 0 176.281 1.511 10 0 ADAERN [NH3+][C@H]1CCc2ccccc2[C@H]1C(=O)[O-] 117186916 573325898 /nfs/dbraw/zinc/32/58/98/573325898.db2.gz RZFVSHCAXBGXHO-VHSXEESVSA-N 0 0 191.230 1.128 10 0 ADAERN CC(=O)N(C)CCNc1ccccc1 117249858 573325931 /nfs/dbraw/zinc/32/59/31/573325931.db2.gz QMPCRYGQBKSBTI-UHFFFAOYSA-N 0 0 192.262 1.577 10 0 ADAERN CC(C)(C)[C@@H]1CONC(=O)O1 258629516 573325942 /nfs/dbraw/zinc/32/59/42/573325942.db2.gz XMFQINHRIGLNNF-YFKPBYRVSA-N 0 0 159.185 1.073 10 0 ADAERN CO[C@H]1CCC(=O)CC[C@H]1C 238344288 573325988 /nfs/dbraw/zinc/32/59/88/573325988.db2.gz DWDWRWAVGDKTHI-APPZFPTMSA-N 0 0 156.225 1.781 10 0 ADAERN CNC(=O)C[NH2+][C@H]1CCC12CCCC2 306243776 573325993 /nfs/dbraw/zinc/32/59/93/573325993.db2.gz MKTKCRSISJOOIC-VIFPVBQESA-N 0 0 196.294 1.045 10 0 ADAERN O=C1Nc2cccc3[nH]c(=O)cc1c23 117209265 573325994 /nfs/dbraw/zinc/32/59/94/573325994.db2.gz DTZJDWJUIDLASJ-UHFFFAOYSA-N 0 0 186.170 1.094 10 0 ADAERN CC1=N[C@@H]2CC[C@@H](O)C[C@@H]2S1 258004259 573326007 /nfs/dbraw/zinc/32/60/07/573326007.db2.gz OZVTXIGHWSPJIH-PRJMDXOYSA-N 0 0 171.265 1.434 10 0 ADAERN CC(C)(C)[N@@H+]1CC[C@](C)(CC(=O)[O-])C1 259417328 573326014 /nfs/dbraw/zinc/32/60/14/573326014.db2.gz NEFNUKLAFNBXNN-LLVKDONJSA-N 0 0 199.294 1.972 10 0 ADAERN CN(C(N)=O)c1c[nH]c2ccccc12 258628943 573326025 /nfs/dbraw/zinc/32/60/25/573326025.db2.gz DEGMICWYLPAXCH-UHFFFAOYSA-N 0 0 189.218 1.683 10 0 ADAERN Nc1cc([C@H]2CCOC2)nnc1Cl 259417440 573326035 /nfs/dbraw/zinc/32/60/35/573326035.db2.gz JKUVUZCKOPAMQW-YFKPBYRVSA-N 0 0 199.641 1.216 10 0 ADAERN CCC[C@@]1(C)CCC(=O)N1 258629581 573326037 /nfs/dbraw/zinc/32/60/37/573326037.db2.gz XOYXJFLIXPRGTL-QMMMGPOBSA-N 0 0 141.214 1.455 10 0 ADAERN Cc1coc2c1CC[C@H](CO)C2 74337868 573326066 /nfs/dbraw/zinc/32/60/66/573326066.db2.gz TWXVUQQICFEBJT-QMMMGPOBSA-N 0 0 166.220 1.685 10 0 ADAERN CN1CNc2ccc(Cl)cc2C1=O 238343839 573326072 /nfs/dbraw/zinc/32/60/72/573326072.db2.gz MJHYVNZJGKZHAN-UHFFFAOYSA-N 0 0 196.637 1.795 10 0 ADAERN Cn1ccc(C[C@@](C)(O)C(C)(C)C)n1 124091642 573326075 /nfs/dbraw/zinc/32/60/75/573326075.db2.gz GSUPDLOYJDLTLL-LLVKDONJSA-N 0 0 196.294 1.760 10 0 ADAERN CCc1cnc(NCCC(C)=O)nc1 259419516 573326135 /nfs/dbraw/zinc/32/61/35/573326135.db2.gz WPRXCAVZICTRHQ-UHFFFAOYSA-N 0 0 193.250 1.430 10 0 ADAERN CC(=O)[C@@H](F)[C@H]1CCCO1 258629533 573326147 /nfs/dbraw/zinc/32/61/47/573326147.db2.gz XMYKYAXWHQYIDA-RNFRBKRXSA-N 0 0 146.161 1.093 10 0 ADAERN c1ccc2c(c1)CCP2 78013812 573326161 /nfs/dbraw/zinc/32/61/61/573326161.db2.gz WKUPBZYYLWNWHU-UHFFFAOYSA-N 0 0 136.134 1.547 10 0 ADAERN COC(=O)C1=Cc2cc(F)ccc2C1 259606862 573326177 /nfs/dbraw/zinc/32/61/77/573326177.db2.gz DMEBVBFBMUJEGS-UHFFFAOYSA-N 0 0 192.189 1.938 10 0 ADAERN O=c1ccc2ccc(O)cc2cc1 197310568 573326189 /nfs/dbraw/zinc/32/61/89/573326189.db2.gz JFMSEKUWCZJDCB-UHFFFAOYSA-N 0 0 172.183 1.906 10 0 ADAERN CNC(=O)N1CC2CCC(CC2)C1 238342862 573326247 /nfs/dbraw/zinc/32/62/47/573326247.db2.gz AOFVJEZRVGTERA-UHFFFAOYSA-N 0 0 182.267 1.448 10 0 ADAERN Cc1cnc([C@H](N)c2ccccc2)nc1 132632798 573326257 /nfs/dbraw/zinc/32/62/57/573326257.db2.gz BYLLZULAGFCVJU-LLVKDONJSA-N 0 0 199.257 1.833 10 0 ADAERN CC(C)C(=O)N1C[C@H](O)CCC1(C)C 259085442 573326284 /nfs/dbraw/zinc/32/62/84/573326284.db2.gz JETQLYFWELPISM-SECBINFHSA-N 0 0 199.294 1.404 10 0 ADAERN CCOCCOc1c(N)cccc1F 132648763 573326310 /nfs/dbraw/zinc/32/63/10/573326310.db2.gz RDJUIILEJBXNAY-UHFFFAOYSA-N 0 0 199.225 1.823 10 0 ADAERN COC(=N)[C@H](O)c1ccc(F)cc1 238343346 573326319 /nfs/dbraw/zinc/32/63/19/573326319.db2.gz DDQFIVRGJMBNIK-MRVPVSSYSA-N 0 0 183.182 1.483 10 0 ADAERN CCCC(=O)N1CC[C@@H](O)CC1(C)C 106877042 573326330 /nfs/dbraw/zinc/32/63/30/573326330.db2.gz YMQJFFBGNSIUBR-SECBINFHSA-N 0 0 199.294 1.548 10 0 ADAERN CCC[C@]1(C)CCC(=O)N1 258629580 573326331 /nfs/dbraw/zinc/32/63/31/573326331.db2.gz XOYXJFLIXPRGTL-MRVPVSSYSA-N 0 0 141.214 1.455 10 0 ADAERN C[C@]12CNc3cccc(c31)NC(=O)C2 117208551 573326372 /nfs/dbraw/zinc/32/63/72/573326372.db2.gz HSLWZBGXXLJSNB-NSHDSACASA-N 0 0 188.230 1.712 10 0 ADAERN C/C=C/NC(=O)c1ccccc1OC 238343879 573326392 /nfs/dbraw/zinc/32/63/92/573326392.db2.gz GLSWFEBJOZCHCA-FPYGCLRLSA-N 0 0 191.230 1.959 10 0 ADAERN O=c1[nH]cc(C2CCOCC2)[nH]1 259085434 573326404 /nfs/dbraw/zinc/32/64/04/573326404.db2.gz MEMXWZQYXPGFCF-UHFFFAOYSA-N 0 0 168.196 1.009 10 0 ADAERN Nc1cc(-c2ccc(F)c(N)c2)[nH]n1 259415696 573326422 /nfs/dbraw/zinc/32/64/22/573326422.db2.gz MLXJNJDOABHEBS-UHFFFAOYSA-N 0 0 192.197 1.380 10 0 ADAERN Cc1c(C=O)c(C)n(C)c1C=O 143573303 573326433 /nfs/dbraw/zinc/32/64/33/573326433.db2.gz DHRHPJZEESEPCU-UHFFFAOYSA-N 0 0 165.192 1.267 10 0 ADAERN Cc1cccc(C[C@H](C)CO)c1O 143602331 573326443 /nfs/dbraw/zinc/32/64/43/573326443.db2.gz APNQPNJLUNSDON-QMMMGPOBSA-N 0 0 180.247 1.872 10 0 ADAERN CCO[C@@H](C)CN1CCC(=O)[C@H](C)C1 252935101 573326458 /nfs/dbraw/zinc/32/64/58/573326458.db2.gz FDIAGJZIDRGVNN-ZJUUUORDSA-N 0 0 199.294 1.322 10 0 ADAERN CCOC(=O)[C@H](F)SC 86242441 573326464 /nfs/dbraw/zinc/32/64/64/573326464.db2.gz KRLSPGMUNGCSTO-SCSAIBSYSA-N 0 0 152.190 1.208 10 0 ADAERN COc1cncc([C@@H](O)C2CCC2)c1 124091502 573326473 /nfs/dbraw/zinc/32/64/73/573326473.db2.gz DBDXPOANIWHCDD-NSHDSACASA-N 0 0 193.246 1.924 10 0 ADAERN CCCOC[C@@H](O)c1ncc(C)cn1 132597033 573326490 /nfs/dbraw/zinc/32/64/90/573326490.db2.gz PDPIMQDUQVIFKC-SECBINFHSA-N 0 0 196.250 1.245 10 0 ADAERN CC1(C)C(N2C[C@H](O)CC2=O)C1(C)C 86240834 573326498 /nfs/dbraw/zinc/32/64/98/573326498.db2.gz VEMYUKPMKHTCBS-SSDOTTSWSA-N 0 0 197.278 1.014 10 0 ADAERN CC(=O)[C@H](C)C[C@H]1CCCC1=O 197319914 573326509 /nfs/dbraw/zinc/32/65/09/573326509.db2.gz IEIWWJBTNOOABJ-VXNVDRBHSA-N 0 0 168.236 1.971 10 0 ADAERN Cc1c(CCO)nc2c(F)cccn12 259606759 573326510 /nfs/dbraw/zinc/32/65/10/573326510.db2.gz DJXUHDGWUKTKSL-UHFFFAOYSA-N 0 0 194.209 1.317 10 0 ADAERN CC(C)[C@]([NH3+])(C(=O)[O-])c1cccs1 106876844 573326548 /nfs/dbraw/zinc/32/65/48/573326548.db2.gz MEVGMYCCOVMAQC-SECBINFHSA-N 0 0 199.275 1.643 10 0 ADAERN CNC(=O)c1cccc(Cl)c1OC 238342870 573326550 /nfs/dbraw/zinc/32/65/50/573326550.db2.gz GAKBGFOCYNHYCY-UHFFFAOYSA-N 0 0 199.637 1.708 10 0 ADAERN OC[C@H](F)C1CCSCC1 258629520 573326553 /nfs/dbraw/zinc/32/65/53/573326553.db2.gz XMMYBAOOYYXCQM-ZETCQYMHSA-N 0 0 164.245 1.460 10 0 ADAERN CO[C@@H]1/C=C/CCC(=O)CC1 238344228 573326557 /nfs/dbraw/zinc/32/65/57/573326557.db2.gz BPEURJGIBMEJOW-HYYFJVDXSA-N 0 0 154.209 1.701 10 0 ADAERN Cc1cccc(C[C@@H](C)CO)c1O 143602127 573326565 /nfs/dbraw/zinc/32/65/65/573326565.db2.gz APNQPNJLUNSDON-MRVPVSSYSA-N 0 0 180.247 1.872 10 0 ADAERN COC(=O)c1cc(C(C)C)c(O)cn1 238343166 573326568 /nfs/dbraw/zinc/32/65/68/573326568.db2.gz BRYWQUVOSWWGAF-UHFFFAOYSA-N 0 0 195.218 1.697 10 0 ADAERN C[NH2+]CC(=O)c1cccc([O-])c1Cl 106877387 573326583 /nfs/dbraw/zinc/32/65/83/573326583.db2.gz KPLAFMYWQHQTPG-UHFFFAOYSA-N 0 0 199.637 1.448 10 0 ADAERN CNC(=O)c1cccc(F)c1OC 238342899 573326598 /nfs/dbraw/zinc/32/65/98/573326598.db2.gz UITXNTWYZDBREF-UHFFFAOYSA-N 0 0 183.182 1.194 10 0 ADAERN CCNc1c(N=O)c(C)nn1C 197319506 573326614 /nfs/dbraw/zinc/32/66/14/573326614.db2.gz XZYVHFHNHCQAGD-UHFFFAOYSA-N 0 0 168.200 1.558 10 0 ADAERN COc1cc(C)c(C)cn1 143603294 573326618 /nfs/dbraw/zinc/32/66/18/573326618.db2.gz XXMWOFFFTLFXCH-UHFFFAOYSA-N 0 0 137.182 1.707 10 0 ADAERN C[C@H]1COc2c(O)cccc2NC1=O 259419206 573326623 /nfs/dbraw/zinc/32/66/23/573326623.db2.gz YFZFSCFAKPWTOZ-LURJTMIESA-N 0 0 193.202 1.359 10 0 ADAERN CCOC(=O)[C@H](F)OCC1CC1 86241761 573326624 /nfs/dbraw/zinc/32/66/24/573326624.db2.gz GSSWDAOCNXFBRC-SSDOTTSWSA-N 0 0 176.187 1.272 10 0 ADAERN CCOC(=O)[C@H](F)SCC 86242331 573326634 /nfs/dbraw/zinc/32/66/34/573326634.db2.gz QDQASDKMOOKICK-RXMQYKEDSA-N 0 0 166.217 1.598 10 0 ADAERN CC(=O)[C@H](F)[C@@H]1CCCO1 258629531 573326677 /nfs/dbraw/zinc/32/66/77/573326677.db2.gz XMYKYAXWHQYIDA-BQBZGAKWSA-N 0 0 146.161 1.093 10 0 ADAERN COC(=N)c1ccc(C(C)=O)cc1 238343819 573326711 /nfs/dbraw/zinc/32/67/11/573326711.db2.gz VIYFNNWAPRDKDC-UHFFFAOYSA-N 0 0 177.203 1.861 10 0 ADAERN O=C(C1CCCC1)C1(CO)CCC1 259082553 573326713 /nfs/dbraw/zinc/32/67/13/573326713.db2.gz IBMUXIOOAXJXDZ-UHFFFAOYSA-N 0 0 182.263 1.908 10 0 ADAERN C[C@H](NC(N)=O)OC1CCCCC1 143561793 573326723 /nfs/dbraw/zinc/32/67/23/573326723.db2.gz HEZJZRBFZTVSOH-SSDOTTSWSA-N 0 0 186.255 1.350 10 0 ADAERN CCc1n[nH]c(CC)c1[C@@H](O)CC 132607831 573326744 /nfs/dbraw/zinc/32/67/44/573326744.db2.gz KNSBWFUMMKYQIP-VIFPVBQESA-N 0 0 182.267 1.978 10 0 ADAERN CCCC(=O)N1CC[C@H](O)CC1(C)C 106877041 573326754 /nfs/dbraw/zinc/32/67/54/573326754.db2.gz YMQJFFBGNSIUBR-VIFPVBQESA-N 0 0 199.294 1.548 10 0 ADAERN COC(=N)[C@@H](O)c1cccc(C)c1 238342933 573326755 /nfs/dbraw/zinc/32/67/55/573326755.db2.gz DQRVQDPQFKQULI-VIFPVBQESA-N 0 0 179.219 1.652 10 0 ADAERN COC(OC)/C(C)=C/Cl 238344099 573326763 /nfs/dbraw/zinc/32/67/63/573326763.db2.gz KPRZHRCPVXTMOD-SNAWJCMRSA-N 0 0 150.605 1.748 10 0 ADAERN CN[C@H](NN)c1cc(C)c(C)cc1C 259419161 573326765 /nfs/dbraw/zinc/32/67/65/573326765.db2.gz YDMIBUUZPPUEKV-LLVKDONJSA-N 0 0 193.294 1.293 10 0 ADAERN [NH3+]C[C@@]1(CC(=O)[O-])C[C@@H]2CC=C[C@@H]21 117193900 573326780 /nfs/dbraw/zinc/32/67/80/573326780.db2.gz IAPOKOJFOPJHGH-NRPADANISA-N 0 0 181.235 1.002 10 0 ADAERN OCC[C@@H](O)c1cccc(F)c1F 143562104 573326797 /nfs/dbraw/zinc/32/67/97/573326797.db2.gz MHCORNOXFVLERA-MRVPVSSYSA-N 0 0 188.173 1.381 10 0 ADAERN CC[C@H](C)NC(=O)c1ncc(N)s1 106876886 573326832 /nfs/dbraw/zinc/32/68/32/573326832.db2.gz HDCSKXGNQVZXOQ-YFKPBYRVSA-N 0 0 199.279 1.254 10 0 ADAERN C[C@]1(c2ncc(C=O)o2)CCCCO1 258003078 573326859 /nfs/dbraw/zinc/32/68/59/573326859.db2.gz GMJMBUGLLJMIGT-SNVBAGLBSA-N 0 0 195.218 1.903 10 0 ADAERN CCCOC[C@H](O)c1ncc(C)cn1 132596799 573326876 /nfs/dbraw/zinc/32/68/76/573326876.db2.gz PDPIMQDUQVIFKC-VIFPVBQESA-N 0 0 196.250 1.245 10 0 ADAERN Cc1cc(Cl)c(CNN)cc1F 259085092 573326890 /nfs/dbraw/zinc/32/68/90/573326890.db2.gz ADIQMNAHBQBUHF-UHFFFAOYSA-N 0 0 188.633 1.751 10 0 ADAERN O=C1C[C@@H]2C(=O)Nc3cccc(c32)N1 117207630 573326901 /nfs/dbraw/zinc/32/69/01/573326901.db2.gz AMHMLEQNEMNQLX-YFKPBYRVSA-N 0 0 188.186 1.065 10 0 ADAERN COC(=O)c1cc(C(C)=O)ccc1N 238343009 573326914 /nfs/dbraw/zinc/32/69/14/573326914.db2.gz IENFDEATPPWYNI-UHFFFAOYSA-N 0 0 193.202 1.258 10 0 ADAERN C[NH2+][C@H](C(C)C)[C@@H](C(=O)[O-])C(C)C 259085716 573326932 /nfs/dbraw/zinc/32/69/32/573326932.db2.gz CZLGUEKRRUAVCA-DTWKUNHWSA-N 0 0 187.283 1.587 10 0 ADAERN CO[C@H](c1nccc(N)n1)C1CC1 117246185 573326996 /nfs/dbraw/zinc/32/69/96/573326996.db2.gz BMOVFEILODZLPY-QMMMGPOBSA-N 0 0 179.223 1.156 10 0 ADAERN COC(=O)c1cccc2c1[C@H](F)CN2 259418321 573327043 /nfs/dbraw/zinc/32/70/43/573327043.db2.gz MULSUUGZZQLUMR-SSDOTTSWSA-N 0 0 195.193 1.909 10 0 ADAERN CC1(C)C(NC=O)C1(C)C 86241395 573327086 /nfs/dbraw/zinc/32/70/86/573327086.db2.gz SDJLDRWILVRQNS-UHFFFAOYSA-N 0 0 141.214 1.167 10 0 ADAERN COCCn1nccc1[C@H](C)[C@@H](C)O 308549281 573327092 /nfs/dbraw/zinc/32/70/92/573327092.db2.gz PFRJJXXDACZGAU-RKDXNWHRSA-N 0 0 198.266 1.014 10 0 ADAERN O=c1[nH]cncc1Cc1cccs1 143618936 573328512 /nfs/dbraw/zinc/32/85/12/573328512.db2.gz PKFOKQBHMATPSC-UHFFFAOYSA-N 0 0 192.243 1.422 10 0 ADAERN Cn1nc([C@H]2CCSC2)cc1N 259606751 573328524 /nfs/dbraw/zinc/32/85/24/573328524.db2.gz DJVLQFVRULGZRE-LURJTMIESA-N 0 0 183.280 1.223 10 0 ADAERN CN(C)c1cc(CCO)ccc1F 259417584 573328562 /nfs/dbraw/zinc/32/85/62/573328562.db2.gz JZGSDKPCGFJPMV-UHFFFAOYSA-N 0 0 183.226 1.427 10 0 ADAERN COC(OC)C1=NCCCC1 238344272 573328565 /nfs/dbraw/zinc/32/85/65/573328565.db2.gz UMSBRBSXMPVXPM-UHFFFAOYSA-N 0 0 157.213 1.230 10 0 ADAERN Cc1nn([C@H]2CCCOCC2)cc1N 716716310 573328584 /nfs/dbraw/zinc/32/85/84/573328584.db2.gz GNZMMEHKKPQMCB-VIFPVBQESA-N 0 0 195.266 1.515 10 0 ADAERN CC(C)CSO 117209098 573328588 /nfs/dbraw/zinc/32/85/88/573328588.db2.gz BQEMCUASBDISJG-UHFFFAOYSA-N 0 0 105.182 1.721 10 0 ADAERN COC(=O)[C@@H](F)c1ccco1 258631216 573328590 /nfs/dbraw/zinc/32/85/90/573328590.db2.gz XTWRRLPMASBAGP-LURJTMIESA-N 0 0 158.128 1.463 10 0 ADAERN Cc1[nH]c(C2CCC2)cc1C(N)=O 259419496 573328607 /nfs/dbraw/zinc/32/86/07/573328607.db2.gz ZZQZPSBGPPPMDD-UHFFFAOYSA-N 0 0 178.235 1.690 10 0 ADAERN COC(=O)[C@@H]1COc2cccc(F)c21 238342582 573328632 /nfs/dbraw/zinc/32/86/32/573328632.db2.gz VDXWVZJWASWBQB-ZCFIWIBFSA-N 0 0 196.177 1.475 10 0 ADAERN CCOC(=O)[C@@H](F)SCC 86242330 573328662 /nfs/dbraw/zinc/32/86/62/573328662.db2.gz QDQASDKMOOKICK-YFKPBYRVSA-N 0 0 166.217 1.598 10 0 ADAERN COC(=O)[C@@H]1CCC2(CCCC2)[C@@H]1O 143572387 573328690 /nfs/dbraw/zinc/32/86/90/573328690.db2.gz SWDGFYQNPMSSKG-RKDXNWHRSA-N 0 0 198.262 1.491 10 0 ADAERN CC[C@@](C)(Br)C(N)=O 117248884 573328713 /nfs/dbraw/zinc/32/87/13/573328713.db2.gz DVMSOZXSCFXQIA-RXMQYKEDSA-N 0 0 180.045 1.035 10 0 ADAERN Cc1ccc(N)c2n[nH]c(C)c12 259606816 573328716 /nfs/dbraw/zinc/32/87/16/573328716.db2.gz ZULWQFNGJQZWBR-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN Cc1nn([C@H](C)[C@@H]2CCOC2)cc1N 716718319 573328756 /nfs/dbraw/zinc/32/87/56/573328756.db2.gz NMBVXFHGNTXBOP-RKDXNWHRSA-N 0 0 195.266 1.371 10 0 ADAERN CO[C@H]1CC=C(C)[C@@H](O)C1 238343832 573328783 /nfs/dbraw/zinc/32/87/83/573328783.db2.gz YRTMQIRDECMVSH-YUMQZZPRSA-N 0 0 142.198 1.102 10 0 ADAERN CC(C)[C@@]([NH3+])(C(=O)[O-])c1cccs1 106876847 573328797 /nfs/dbraw/zinc/32/87/97/573328797.db2.gz MEVGMYCCOVMAQC-VIFPVBQESA-N 0 0 199.275 1.643 10 0 ADAERN CCn1cc(N)c(C(C)C)n1 74343046 573328818 /nfs/dbraw/zinc/32/88/18/573328818.db2.gz IVLKRQGZWJGUEZ-UHFFFAOYSA-N 0 0 153.229 1.609 10 0 ADAERN CCC[C@@H]1N[C@H](CC(C)C)N(C)C1=O 132671812 573328860 /nfs/dbraw/zinc/32/88/60/573328860.db2.gz CFNBWCSVHRMMEI-UWVGGRQHSA-N 0 0 198.310 1.589 10 0 ADAERN COc1ncnc(NCCCF)c1C 308549297 573328866 /nfs/dbraw/zinc/32/88/66/573328866.db2.gz PGCLSFAEQOPRMI-UHFFFAOYSA-N 0 0 199.229 1.565 10 0 ADAERN COc1ncc(OC)c2[nH]ccc12 238343265 573328871 /nfs/dbraw/zinc/32/88/71/573328871.db2.gz XRAYFJZTXPDBOC-UHFFFAOYSA-N 0 0 178.191 1.580 10 0 ADAERN CC1(C)C(CNC(N)=S)C1(C)C 86240189 573328879 /nfs/dbraw/zinc/32/88/79/573328879.db2.gz FAXBGZOTWNKUCY-UHFFFAOYSA-N 0 0 186.324 1.502 10 0 ADAERN C[C@@H](NC(N)=O)OC1CCCCC1 143561572 573328894 /nfs/dbraw/zinc/32/88/94/573328894.db2.gz HEZJZRBFZTVSOH-ZETCQYMHSA-N 0 0 186.255 1.350 10 0 ADAERN C[N@H+](CCC1CC1)[C@@H]1CC[C@H]1C(=O)[O-] 308550434 573328911 /nfs/dbraw/zinc/32/89/11/573328911.db2.gz XHNUEHHAIZJMGO-NXEZZACHSA-N 0 0 197.278 1.582 10 0 ADAERN COC(=O)c1cccc2c1[C@@H](F)CN2 259418322 573328912 /nfs/dbraw/zinc/32/89/12/573328912.db2.gz MULSUUGZZQLUMR-ZETCQYMHSA-N 0 0 195.193 1.909 10 0 ADAERN Cn1nc([C@@H]2CCSC2)cc1N 259606756 573328920 /nfs/dbraw/zinc/32/89/20/573328920.db2.gz DJVLQFVRULGZRE-ZCFIWIBFSA-N 0 0 183.280 1.223 10 0 ADAERN C[C@@H](O)C(=O)Oc1ccccc1F 117216737 573328926 /nfs/dbraw/zinc/32/89/26/573328926.db2.gz DLLKQTKUPKTPDY-ZCFIWIBFSA-N 0 0 184.166 1.112 10 0 ADAERN CC1(C)C(NC#N)C1(C)C 86240344 573328930 /nfs/dbraw/zinc/32/89/30/573328930.db2.gz NNHRQOWAQIEING-UHFFFAOYSA-N 0 0 138.214 1.492 10 0 ADAERN CCCc1nc2cccc(O)n2n1 258003170 573328931 /nfs/dbraw/zinc/32/89/31/573328931.db2.gz QHCVGTOSDXRNJB-UHFFFAOYSA-N 0 0 177.207 1.387 10 0 ADAERN OCC/C=C\c1ccccn1 258003011 573328949 /nfs/dbraw/zinc/32/89/49/573328949.db2.gz AODRDSRDAUKNKC-KXFIGUGUSA-N 0 0 149.193 1.477 10 0 ADAERN CC[S@](=O)NCC(C)(C)C 219980903 573328969 /nfs/dbraw/zinc/32/89/69/573328969.db2.gz JNDZENNQQGJDBL-JTQLQIEISA-N 0 0 163.286 1.306 10 0 ADAERN O=Cc1cc2c(c(F)c1O)OCCO2 258002833 573328978 /nfs/dbraw/zinc/32/89/78/573328978.db2.gz MDIAIMXSMZKYNX-UHFFFAOYSA-N 0 0 198.149 1.115 10 0 ADAERN [NH3+][C@H]1CCc2ccccc2[C@@H]1C(=O)[O-] 117186910 573328996 /nfs/dbraw/zinc/32/89/96/573328996.db2.gz RZFVSHCAXBGXHO-UWVGGRQHSA-N 0 0 191.230 1.128 10 0 ADAERN CC(C)C(=O)N1C[C@@H](O)CCC1(C)C 259085447 573329030 /nfs/dbraw/zinc/32/90/30/573329030.db2.gz JETQLYFWELPISM-VIFPVBQESA-N 0 0 199.294 1.404 10 0 ADAERN CC[C@H](Nn1cccc1)[C@@H]1CCOC1 308549287 573329035 /nfs/dbraw/zinc/32/90/35/573329035.db2.gz PFRYTEUTLRRJND-MNOVXSKESA-N 0 0 194.278 1.847 10 0 ADAERN CNC(NC)c1cccc(C)c1 259419710 573329042 /nfs/dbraw/zinc/32/90/42/573329042.db2.gz NKBDKGACMQVCLZ-UHFFFAOYSA-N 0 0 164.252 1.432 10 0 ADAERN CC1(C)C(CNC#N)C1(C)C 86240094 573329044 /nfs/dbraw/zinc/32/90/44/573329044.db2.gz PMCQBXLTTCEORH-UHFFFAOYSA-N 0 0 152.241 1.739 10 0 ADAERN O=Cc1c[nH]c(C(F)(F)F)n1 74340734 573329052 /nfs/dbraw/zinc/32/90/52/573329052.db2.gz AYFRYBPCFVPYIP-UHFFFAOYSA-N 0 0 164.086 1.241 10 0 ADAERN C[N@H+](CCC1CC1)[C@H]1CC[C@H]1C(=O)[O-] 308550440 573329056 /nfs/dbraw/zinc/32/90/56/573329056.db2.gz XHNUEHHAIZJMGO-ZJUUUORDSA-N 0 0 197.278 1.582 10 0 ADAERN CCOC(=O)N1CCC(=O)CC1(C)C 106876668 573329078 /nfs/dbraw/zinc/32/90/78/573329078.db2.gz JJZHWXLUMNDQRY-UHFFFAOYSA-N 0 0 199.250 1.586 10 0 ADAERN Cc1ccc(CNN)c(C)c1C 259418579 573329110 /nfs/dbraw/zinc/32/91/10/573329110.db2.gz OYXYGYLQSMNPKY-UHFFFAOYSA-N 0 0 164.252 1.575 10 0 ADAERN OC[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 143576850 573329130 /nfs/dbraw/zinc/32/91/30/573329130.db2.gz LVCSLBWBCQDKEH-NEPJUHHUSA-N 0 0 191.274 1.862 10 0 ADAERN CC1=C(N)Nc2ccccc2O1 143567434 573329144 /nfs/dbraw/zinc/32/91/44/573329144.db2.gz JADAFRUCIGTRSJ-UHFFFAOYSA-N 0 0 162.192 1.639 10 0 ADAERN C[NH2+]CC(=O)c1ccc(Cl)c([O-])c1 106877389 573329153 /nfs/dbraw/zinc/32/91/53/573329153.db2.gz IJPXSHSQAIKSDB-UHFFFAOYSA-N 0 0 199.637 1.448 10 0 ADAERN O=C1CC[C@H]2[C@@H]1C21CC1 143608481 573329192 /nfs/dbraw/zinc/32/91/92/573329192.db2.gz ZKHWYVUKDDYRIL-FSPLSTOPSA-N 0 0 122.167 1.376 10 0 ADAERN CCN[C@]1(C(=O)OC)CCC[C@@H]2C[C@@H]21 308550355 573329211 /nfs/dbraw/zinc/32/92/11/573329211.db2.gz PSGDFSKTJPDWKS-WCABBAIRSA-N 0 0 197.278 1.328 10 0 ADAERN CCCC[C@H]1N[C@@H](CCC)N(C)C1=O 132715339 573329224 /nfs/dbraw/zinc/32/92/24/573329224.db2.gz RKNPGEYJMQLELT-NXEZZACHSA-N 0 0 198.310 1.733 10 0 ADAERN CNc1ccn2nc(C)nc2c1 258002655 573329239 /nfs/dbraw/zinc/32/92/39/573329239.db2.gz MADFZCFCIKGCLU-UHFFFAOYSA-N 0 0 162.196 1.079 10 0 ADAERN OCC[C@H](O)c1cccc(F)c1F 143562308 573329256 /nfs/dbraw/zinc/32/92/56/573329256.db2.gz MHCORNOXFVLERA-QMMMGPOBSA-N 0 0 188.173 1.381 10 0 ADAERN COc1ccc(C2COC2)cc1 238358027 573330090 /nfs/dbraw/zinc/33/00/90/573330090.db2.gz BZGASHYFRUIKFV-UHFFFAOYSA-N 0 0 164.204 1.809 10 0 ADAERN COC(=O)[C@H](F)c1ccco1 258631218 573329284 /nfs/dbraw/zinc/32/92/84/573329284.db2.gz XTWRRLPMASBAGP-ZCFIWIBFSA-N 0 0 158.128 1.463 10 0 ADAERN CC1(C)C[C@@]1(O)c1cnccn1 117239766 573329355 /nfs/dbraw/zinc/32/93/55/573329355.db2.gz VAHYITAVURITSX-SECBINFHSA-N 0 0 164.208 1.094 10 0 ADAERN CC(=O)c1c(O)cc([O-])cc1Cl 143607637 573329356 /nfs/dbraw/zinc/32/93/56/573329356.db2.gz FYGKRCUWLIMJKN-UHFFFAOYSA-N 0 0 186.594 1.954 10 0 ADAERN CC1(C)C[C@]1(O)c1cnccn1 117239768 573329375 /nfs/dbraw/zinc/32/93/75/573329375.db2.gz VAHYITAVURITSX-VIFPVBQESA-N 0 0 164.208 1.094 10 0 ADAERN CC(C)(C)ON1CCC(O)CC1 143607968 573329445 /nfs/dbraw/zinc/32/94/45/573329445.db2.gz OTSUNABMGIEEIN-UHFFFAOYSA-N 0 0 173.256 1.173 10 0 ADAERN C[N@H+](CCC1CC1)[C@H]1CC[C@@H]1C(=O)[O-] 308550436 573329474 /nfs/dbraw/zinc/32/94/74/573329474.db2.gz XHNUEHHAIZJMGO-UWVGGRQHSA-N 0 0 197.278 1.582 10 0 ADAERN CC(=O)O[C@@H](C)CC[C@H](C)O 166122829 573329514 /nfs/dbraw/zinc/32/95/14/573329514.db2.gz KWZUXBQCEVQMIN-BQBZGAKWSA-N 0 0 160.213 1.099 10 0 ADAERN OCc1cc(Cc2cccs2)on1 259419477 573329524 /nfs/dbraw/zinc/32/95/24/573329524.db2.gz YIOCITHZSULDCS-UHFFFAOYSA-N 0 0 195.243 1.819 10 0 ADAERN CO[C@@H](c1nccc(N)n1)C1CC1 117246187 573329562 /nfs/dbraw/zinc/32/95/62/573329562.db2.gz BMOVFEILODZLPY-MRVPVSSYSA-N 0 0 179.223 1.156 10 0 ADAERN C[N@H+](CCC1CC1)[C@@H]1CC[C@@H]1C(=O)[O-] 308550438 573329568 /nfs/dbraw/zinc/32/95/68/573329568.db2.gz XHNUEHHAIZJMGO-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN COCCn1nccc1[C@@H](C)[C@H](C)O 308549278 573329581 /nfs/dbraw/zinc/32/95/81/573329581.db2.gz PFRJJXXDACZGAU-IUCAKERBSA-N 0 0 198.266 1.014 10 0 ADAERN C[C@H](N)c1nc2ncccc2o1 74341212 573329595 /nfs/dbraw/zinc/32/95/95/573329595.db2.gz RYEBMNBAEDFGFG-YFKPBYRVSA-N 0 0 163.180 1.243 10 0 ADAERN CNC(=O)C[C@H]1Cc2ccccc2N1 258002801 573329647 /nfs/dbraw/zinc/32/96/47/573329647.db2.gz GFIDNAGBBSXKNR-SECBINFHSA-N 0 0 190.246 1.159 10 0 ADAERN CONCc1c(C)cc(O)cc1C 258002639 573329678 /nfs/dbraw/zinc/32/96/78/573329678.db2.gz LZICFMULGIGQOP-UHFFFAOYSA-N 0 0 181.235 1.660 10 0 ADAERN Cn1nnnc1NC1C(C)(C)C1(C)C 86240504 573329690 /nfs/dbraw/zinc/32/96/90/573329690.db2.gz GWMAHUFMSXVANS-UHFFFAOYSA-N 0 0 195.270 1.057 10 0 ADAERN CC1=Nc2ccncc2NC(=O)C1 143569460 573329692 /nfs/dbraw/zinc/32/96/92/573329692.db2.gz QAVWDOWVKUIBRQ-UHFFFAOYSA-N 0 0 175.191 1.516 10 0 ADAERN CC1(C)C(N2C[C@@H](O)CC2=O)C1(C)C 86240835 573329722 /nfs/dbraw/zinc/32/97/22/573329722.db2.gz VEMYUKPMKHTCBS-ZETCQYMHSA-N 0 0 197.278 1.014 10 0 ADAERN Cc1nn([C@@H]2CCCOCC2)cc1N 716716306 573329723 /nfs/dbraw/zinc/32/97/23/573329723.db2.gz GNZMMEHKKPQMCB-SECBINFHSA-N 0 0 195.266 1.515 10 0 ADAERN Nc1cc(-c2ccccc2)c(N)nn1 258632004 573329779 /nfs/dbraw/zinc/32/97/79/573329779.db2.gz REDPPPJYTSOSDT-UHFFFAOYSA-N 0 0 186.218 1.308 10 0 ADAERN COC(=O)[C@H]1CSCCC12CC2 259608199 573329788 /nfs/dbraw/zinc/32/97/88/573329788.db2.gz DMBQFUPBWQBCFN-SSDOTTSWSA-N 0 0 186.276 1.693 10 0 ADAERN C=CNC(=O)P(=O)(OC)OC 238358597 573329810 /nfs/dbraw/zinc/32/98/10/573329810.db2.gz GUVHLIRXOZPJAA-UHFFFAOYSA-N 0 0 179.112 1.325 10 0 ADAERN Cc1ccc([C@H](O)CO)c(C)c1C 223021811 573329855 /nfs/dbraw/zinc/32/98/55/573329855.db2.gz PVGMUUWAWYJOET-LLVKDONJSA-N 0 0 180.247 1.638 10 0 ADAERN C[C@H](CC1CCOCC1)ON 259417485 573329878 /nfs/dbraw/zinc/32/98/78/573329878.db2.gz JLHCHFZKGSJLAW-SSDOTTSWSA-N 0 0 159.229 1.082 10 0 ADAERN CC1(C)C(CN2CCC(=O)C2)C1(C)C 86240358 573329921 /nfs/dbraw/zinc/32/99/21/573329921.db2.gz HTNBNNRTRICBFW-UHFFFAOYSA-N 0 0 195.306 1.943 10 0 ADAERN CCCc1c(O)cccc1CO 117140595 573329979 /nfs/dbraw/zinc/32/99/79/573329979.db2.gz TZEODVIRSJVYAX-UHFFFAOYSA-N 0 0 166.220 1.837 10 0 ADAERN COc1ccccc1OCO 117264498 573329988 /nfs/dbraw/zinc/32/99/88/573329988.db2.gz RUUFJKFGUODCTA-UHFFFAOYSA-N 0 0 154.165 1.024 10 0 ADAERN CC(=O)CC(=O)NC1C(C)(C)C1(C)C 86240751 573330005 /nfs/dbraw/zinc/33/00/05/573330005.db2.gz ZORHUSXVJZXQHU-UHFFFAOYSA-N 0 0 197.278 1.516 10 0 ADAERN COc1ccc(O)cc1NC(C)=O 143595753 573330067 /nfs/dbraw/zinc/33/00/67/573330067.db2.gz FCYWGLLHOZFLNS-UHFFFAOYSA-N 0 0 181.191 1.359 10 0 ADAERN OC/C=C1/CCOc2c(F)cccc21 117241517 573330079 /nfs/dbraw/zinc/33/00/79/573330079.db2.gz RGFJXBBUXATOIV-YWEYNIOJSA-N 0 0 194.205 1.984 10 0 ADAERN O=Cc1cnoc1C[C@@H]1CCSC1 259419254 573331176 /nfs/dbraw/zinc/33/11/76/573331176.db2.gz YGKKLPGLWOWCDA-ZETCQYMHSA-N 0 0 197.259 1.783 10 0 ADAERN COc1cc(C(=O)CN)ccc1Cl 106877383 573331190 /nfs/dbraw/zinc/33/11/90/573331190.db2.gz QWOZDDHAECDOOC-UHFFFAOYSA-N 0 0 199.637 1.490 10 0 ADAERN COC(=O)C/C=C\c1ccccn1 258002915 573331193 /nfs/dbraw/zinc/33/11/93/573331193.db2.gz AMYQFHZOCFJJHF-XQRVVYSFSA-N 0 0 177.203 1.658 10 0 ADAERN CC(C)Cc1cnc(C=O)cn1 74340318 573331202 /nfs/dbraw/zinc/33/12/02/573331202.db2.gz QXMPRHMWVNKQSK-UHFFFAOYSA-N 0 0 164.208 1.488 10 0 ADAERN COc1ccc2c(c1)COC[C@@H]2O 238358883 573331251 /nfs/dbraw/zinc/33/12/51/573331251.db2.gz MSJOEHLUGDJFGL-JTQLQIEISA-N 0 0 180.203 1.259 10 0 ADAERN COc1cc(O)c(C=O)c(O)c1C 224051872 573331267 /nfs/dbraw/zinc/33/12/67/573331267.db2.gz QUWFBPHNFMOFTB-UHFFFAOYSA-N 0 0 182.175 1.227 10 0 ADAERN COc1ccc2c(c1)[C@](C)(O)CC2 86244756 573331288 /nfs/dbraw/zinc/33/12/88/573331288.db2.gz RIFAFWLVXLSIIJ-LLVKDONJSA-N 0 0 178.231 1.849 10 0 ADAERN COc1coc(C=O)c1 74343293 573331302 /nfs/dbraw/zinc/33/13/02/573331302.db2.gz ICBJXPCILFXJID-UHFFFAOYSA-N 0 0 126.111 1.101 10 0 ADAERN OCC[C@@H](O)c1cc(F)cc(F)c1 143562533 573331336 /nfs/dbraw/zinc/33/13/36/573331336.db2.gz DMLNBGUEIAXQML-SECBINFHSA-N 0 0 188.173 1.381 10 0 ADAERN COc1c(C)cc(C)c(N)c1C=O 238357872 573331361 /nfs/dbraw/zinc/33/13/61/573331361.db2.gz HBGJYPFXOABPDE-UHFFFAOYSA-N 0 0 179.219 1.707 10 0 ADAERN CNC(=S)C(=O)c1ccccc1 238358237 573331375 /nfs/dbraw/zinc/33/13/75/573331375.db2.gz LREDKUZUINZACP-UHFFFAOYSA-N 0 0 179.244 1.416 10 0 ADAERN C=Cc1c(N)ccnc1OCC 209779613 573331379 /nfs/dbraw/zinc/33/13/79/573331379.db2.gz OWMBLEPTZGOONT-UHFFFAOYSA-N 0 0 164.208 1.706 10 0 ADAERN CCCOC[C@@H](N)c1ncc(C)cn1 132653496 573331394 /nfs/dbraw/zinc/33/13/94/573331394.db2.gz YMPRPEZUVJAHIY-SECBINFHSA-N 0 0 195.266 1.211 10 0 ADAERN C[C@H](O)Cc1ccc(CO)cc1 258002646 573331413 /nfs/dbraw/zinc/33/14/13/573331413.db2.gz LZQQZEGDTRFZMV-QMMMGPOBSA-N 0 0 166.220 1.102 10 0 ADAERN CCCC[C@@H]1N[C@@H](CCC)N(C)C1=O 132715547 573331417 /nfs/dbraw/zinc/33/14/17/573331417.db2.gz RKNPGEYJMQLELT-VHSXEESVSA-N 0 0 198.310 1.733 10 0 ADAERN CCCC[C@H]1N[C@H](CCC)N(C)C1=O 132715756 573331445 /nfs/dbraw/zinc/33/14/45/573331445.db2.gz RKNPGEYJMQLELT-ZJUUUORDSA-N 0 0 198.310 1.733 10 0 ADAERN COc1c(C)cc(C)c(O)c1C=O 238357925 573331459 /nfs/dbraw/zinc/33/14/59/573331459.db2.gz ZTWIWIMQZTVCRI-UHFFFAOYSA-N 0 0 180.203 1.830 10 0 ADAERN Nc1cncc(-c2cnco2)c1 74341756 573331471 /nfs/dbraw/zinc/33/14/71/573331471.db2.gz SWBAKGZHKDEYBD-UHFFFAOYSA-N 0 0 161.164 1.319 10 0 ADAERN CCc1ccc(C)nc1C=O 238357952 573331480 /nfs/dbraw/zinc/33/14/80/573331480.db2.gz QZTSYHIPMWNUHW-UHFFFAOYSA-N 0 0 149.193 1.765 10 0 ADAERN CC(C)[N@@H+]1CCC[C@H]1c1nc(=O)o[n-]1 258002962 573331493 /nfs/dbraw/zinc/33/14/93/573331493.db2.gz MHOOPDVWWXVSDR-ZETCQYMHSA-N 0 0 197.238 1.321 10 0 ADAERN Cc1cc(-c2oncc2N)c[nH]1 74341263 573331552 /nfs/dbraw/zinc/33/15/52/573331552.db2.gz BWMRPFKQFZGHBA-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN CCOC(=O)[C@H]1CCc2nc(C)cn21 259608179 573331589 /nfs/dbraw/zinc/33/15/89/573331589.db2.gz DLSFMUWHZJGOCU-MRVPVSSYSA-N 0 0 194.234 1.242 10 0 ADAERN NOCc1cc2c(cc1O)CCC2 258002874 573331609 /nfs/dbraw/zinc/33/16/09/573331609.db2.gz MEILARNUUIJTKE-UHFFFAOYSA-N 0 0 179.219 1.271 10 0 ADAERN CCCNCc1noc(C(C)(C)C)n1 308549829 573331618 /nfs/dbraw/zinc/33/16/18/573331618.db2.gz WYOSSHIROZABDC-UHFFFAOYSA-N 0 0 197.282 1.867 10 0 ADAERN NC(=O)Cc1ccccc1NC1CC1 236163612 573331621 /nfs/dbraw/zinc/33/16/21/573331621.db2.gz ZMMIYDZYSDEQRZ-UHFFFAOYSA-N 0 0 190.246 1.289 10 0 ADAERN CO[C@@H]1CCC[C@H]([C@@H](C)NN)C1 686358566 573331636 /nfs/dbraw/zinc/33/16/36/573331636.db2.gz KYDSTXAZNZOMJY-HRDYMLBCSA-N 0 0 172.272 1.043 10 0 ADAERN COc1ccc(C(=O)[O-])c([N+]#N)c1 238359245 573331649 /nfs/dbraw/zinc/33/16/49/573331649.db2.gz HXVDQRPSUKUBHH-UHFFFAOYSA-O 0 0 179.155 1.878 10 0 ADAERN CO[C@@H]1CCc2cc(N)ccc21 258631051 573331664 /nfs/dbraw/zinc/33/16/64/573331664.db2.gz XRGYNPZRQYCJDP-SNVBAGLBSA-N 0 0 163.220 1.903 10 0 ADAERN C[C@@H]1COc2c(O)cccc2NC1=O 259419212 573331675 /nfs/dbraw/zinc/33/16/75/573331675.db2.gz YFZFSCFAKPWTOZ-ZCFIWIBFSA-N 0 0 193.202 1.359 10 0 ADAERN CCC[C@H]1N[C@H](CC(C)C)N(C)C1=O 132671616 573331694 /nfs/dbraw/zinc/33/16/94/573331694.db2.gz CFNBWCSVHRMMEI-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN CC[C@@H](O)CCc1ccc(OC)nn1 308549304 573331723 /nfs/dbraw/zinc/33/17/23/573331723.db2.gz PGJFTMHPEONKQI-SECBINFHSA-N 0 0 196.250 1.189 10 0 ADAERN COC(=O)[C@H]1CC=C(c2ccco2)N1 238359975 573331735 /nfs/dbraw/zinc/33/17/35/573331735.db2.gz OKFBXJGZJVVELM-MRVPVSSYSA-N 0 0 193.202 1.155 10 0 ADAERN COCCCOc1c(N)cccc1F 132650926 573331756 /nfs/dbraw/zinc/33/17/56/573331756.db2.gz HCEWGXXNZJONIY-UHFFFAOYSA-N 0 0 199.225 1.823 10 0 ADAERN CO[C@@H]1CC(C)(C)CCC1=O 224055157 573331763 /nfs/dbraw/zinc/33/17/63/573331763.db2.gz ASADZHYKPMANNB-MRVPVSSYSA-N 0 0 156.225 1.781 10 0 ADAERN COc1ccc2c(c1)O[C@@H](O)C[C@H]2C 238359914 573331771 /nfs/dbraw/zinc/33/17/71/573331771.db2.gz FGSHJSRYOCUROP-RDDDGLTNSA-N 0 0 194.230 1.900 10 0 ADAERN Cc1ccc([C@@H](O)CO)c(C)c1C 223021869 573331779 /nfs/dbraw/zinc/33/17/79/573331779.db2.gz PVGMUUWAWYJOET-NSHDSACASA-N 0 0 180.247 1.638 10 0 ADAERN C[C@@]1(CO)CC(=O)c2ccccc2C1 224053214 573331785 /nfs/dbraw/zinc/33/17/85/573331785.db2.gz CVFBTWYAGFLECL-LBPRGKRZSA-N 0 0 190.242 1.814 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)[C@H](OC)C2 86244796 573331790 /nfs/dbraw/zinc/33/17/90/573331790.db2.gz WXSDQTPEOHOTRN-GHMZBOCLSA-N 0 0 194.230 1.300 10 0 ADAERN Cc1ccc(C[C@@](C)([NH3+])C(=O)[O-])s1 117301861 573331797 /nfs/dbraw/zinc/33/17/97/573331797.db2.gz HXOBQUXVCLJWGN-SECBINFHSA-N 0 0 199.275 1.401 10 0 ADAERN CN1C(=O)Cc2cc(O)c(Cl)cc21 258003415 573331798 /nfs/dbraw/zinc/33/17/98/573331798.db2.gz ZGDMAYGVAYJTGV-UHFFFAOYSA-N 0 0 197.621 1.565 10 0 ADAERN Cc1c2c(cn1C)CCCC2=O 74340906 573331878 /nfs/dbraw/zinc/33/18/78/573331878.db2.gz HYCXQLPCGHJKEP-UHFFFAOYSA-N 0 0 163.220 1.853 10 0 ADAERN CSc1cccc(CON)c1 258002733 573331905 /nfs/dbraw/zinc/33/19/05/573331905.db2.gz MBXXKFUCMRFFGE-UHFFFAOYSA-N 0 0 169.249 1.799 10 0 ADAERN CC(C)[C@]1(C)CNC(=O)OC1 258631103 573331919 /nfs/dbraw/zinc/33/19/19/573331919.db2.gz XSCQQIPTPLFWEZ-MRVPVSSYSA-N 0 0 157.213 1.389 10 0 ADAERN OC[C@H]1Cc2cc3c(cc21)OCCO3 143502704 573331974 /nfs/dbraw/zinc/33/19/74/573331974.db2.gz MQSCHAKXYGUMRL-MRVPVSSYSA-N 0 0 192.214 1.090 10 0 ADAERN COc1nc(C(F)F)c(C)cc1N 238359079 573331977 /nfs/dbraw/zinc/33/19/77/573331977.db2.gz KMHXSNAVKCNEBQ-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN COc1c(C)cc(C)cc(C)c1=O 238358010 573331984 /nfs/dbraw/zinc/33/19/84/573331984.db2.gz IYVCJAQWLZKOEE-UHFFFAOYSA-N 0 0 178.231 1.981 10 0 ADAERN O=Cc1ncoc1Cl 211672262 573331998 /nfs/dbraw/zinc/33/19/98/573331998.db2.gz LYSLGZZKMXUFSI-UHFFFAOYSA-N 0 0 131.518 1.141 10 0 ADAERN C[C@@H]1C=CC[C@@H]([C@@H](C)O)C1 143621749 573332004 /nfs/dbraw/zinc/33/20/04/573332004.db2.gz NZVXDCCJQFBHAX-IWSPIJDZSA-N 0 0 140.226 1.970 10 0 ADAERN CCC1=C[C@H](O)CC[C@@H]2O[C@H]12 222663606 573332005 /nfs/dbraw/zinc/33/20/05/573332005.db2.gz OYEGDCNWNZBCIQ-HRDYMLBCSA-N 0 0 154.209 1.245 10 0 ADAERN CNc1ncnc2[nH]c(=S)[nH]c12 238359374 573332009 /nfs/dbraw/zinc/33/20/09/573332009.db2.gz ORWSOQIZCOKWSR-UHFFFAOYSA-N 0 0 181.224 1.057 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)ncn2C 74370046 573334251 /nfs/dbraw/zinc/33/42/51/573334251.db2.gz DEYWYAAKKBHKFX-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)[C@@H](OC)C2 86244798 573334269 /nfs/dbraw/zinc/33/42/69/573334269.db2.gz WXSDQTPEOHOTRN-WDEREUQCSA-N 0 0 194.230 1.300 10 0 ADAERN CCOc1ccnc(F)c1OC 143509541 573334888 /nfs/dbraw/zinc/33/48/88/573334888.db2.gz VVMYMEXNMJHMAK-UHFFFAOYSA-N 0 0 171.171 1.628 10 0 ADAERN CNc1nnc(C(F)(F)F)o1 74383756 573334277 /nfs/dbraw/zinc/33/42/77/573334277.db2.gz SMZAFGPAAIFXJE-UHFFFAOYSA-N 0 0 167.090 1.130 10 0 ADAERN CO[C@@H]1CCC[C@@H]([C@@H](C)NN)C1 686358568 573334280 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/nfs/dbraw/zinc/34/21/95/573342195.db2.gz ASULQBDSHLIWFL-AZVKUDOFSA-N 0 0 183.251 1.359 10 0 ADAERN CCC[C@H]1OCCC[C@H]1CO 86251833 573342202 /nfs/dbraw/zinc/34/22/02/573342202.db2.gz XXHOPJCRIKRWAF-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)(C)C[C@@H]1OCC[C@@H]1CO 86251700 573342206 /nfs/dbraw/zinc/34/22/06/573342206.db2.gz DEGHDTWIPKOSBB-BDAKNGLRSA-N 0 0 172.268 1.820 10 0 ADAERN COc1n[nH]c2cccc(F)c12 107082726 573342213 /nfs/dbraw/zinc/34/22/13/573342213.db2.gz UFKJOPZRMVVDRW-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN OC[C@@H]1CCO[C@@H]1c1ccccc1F 86251143 573342215 /nfs/dbraw/zinc/34/22/15/573342215.db2.gz ORAPTNCXOCIYNG-KWQFWETISA-N 0 0 196.221 1.896 10 0 ADAERN COCCc1cn2c(n1)CCC[C@H]2C 258287209 573342216 /nfs/dbraw/zinc/34/22/16/573342216.db2.gz IWIJXDNPVRKERQ-SECBINFHSA-N 0 0 194.278 1.969 10 0 ADAERN COc1nc(N)nc2cccc(F)c12 214709748 573342223 /nfs/dbraw/zinc/34/22/23/573342223.db2.gz CAPDHYYNZXRAJN-UHFFFAOYSA-N 0 0 193.181 1.360 10 0 ADAERN CCC[NH2+][C@@H](C(=O)[O-])C1CCCC1 50272611 573342229 /nfs/dbraw/zinc/34/22/29/573342229.db2.gz XTKCVBKERZPCFF-SECBINFHSA-N 0 0 185.267 1.629 10 0 ADAERN CCOCC[C@H](NN)C(C)(C)C 132810906 573342236 /nfs/dbraw/zinc/34/22/36/573342236.db2.gz AKAOCJPWEGJIMA-QMMMGPOBSA-N 0 0 174.288 1.291 10 0 ADAERN CCCCCc1nnc(CN)o1 50283458 573342254 /nfs/dbraw/zinc/34/22/54/573342254.db2.gz RIHWWUQSCXMIPA-UHFFFAOYSA-N 0 0 169.228 1.261 10 0 ADAERN COc1ccc(C2=NCCN=C2)cc1 238356184 573342262 /nfs/dbraw/zinc/34/22/62/573342262.db2.gz JKZIAEBJGFHEGU-UHFFFAOYSA-N 0 0 188.230 1.569 10 0 ADAERN COC(=O)c1nccc2cccnc12 238362825 573342273 /nfs/dbraw/zinc/34/22/73/573342273.db2.gz GGALTKCZYOBIPR-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN Cc1ccc(O)c(CON)c1C 258005271 573342279 /nfs/dbraw/zinc/34/22/79/573342279.db2.gz MGGMUWXTSJDAHB-UHFFFAOYSA-N 0 0 167.208 1.399 10 0 ADAERN CO[C@H]1c2ccccc2O[C@@H]1O 238356264 573342280 /nfs/dbraw/zinc/34/22/80/573342280.db2.gz YRXBFDPNMDUVLF-IUCAKERBSA-N 0 0 166.176 1.085 10 0 ADAERN O=C([O-])[C@@H](C[NH2+]C1CCCC1)C1CC1 258291416 573342287 /nfs/dbraw/zinc/34/22/87/573342287.db2.gz NTFIFTJVKZTYNT-JTQLQIEISA-N 0 0 197.278 1.629 10 0 ADAERN CN(C)c1onc2ccccc12 107086840 573342292 /nfs/dbraw/zinc/34/22/92/573342292.db2.gz MGOQZMMSHKMSRK-UHFFFAOYSA-N 0 0 162.192 1.894 10 0 ADAERN Nc1onc(C2CC2)c1Cl 107076744 573342296 /nfs/dbraw/zinc/34/22/96/573342296.db2.gz QATMJWOIEWREFO-UHFFFAOYSA-N 0 0 158.588 1.788 10 0 ADAERN CN(C)C(=O)N[C@@H]1CCC12CCCC2 335399861 573342309 /nfs/dbraw/zinc/34/23/09/573342309.db2.gz AAEGXMSUICYARY-SECBINFHSA-N 0 0 196.294 1.980 10 0 ADAERN COc1ccc(C(F)F)[nH]c1=O 238356716 573342313 /nfs/dbraw/zinc/34/23/13/573342313.db2.gz VQFBFEFYKNMXGW-UHFFFAOYSA-N 0 0 175.134 1.733 10 0 ADAERN CC[C@@H]1NC(=O)Nc2sc(N)cc21 107079353 573342331 /nfs/dbraw/zinc/34/23/31/573342331.db2.gz WUBVDZBNCCNRPG-YFKPBYRVSA-N 0 0 197.263 1.917 10 0 ADAERN Cc1ccc2c(c1)C[C@](C)(CO)N2 258307720 573342339 /nfs/dbraw/zinc/34/23/39/573342339.db2.gz VOQHIOOCNXRSAG-LLVKDONJSA-N 0 0 177.247 1.714 10 0 ADAERN CCC(CC)c1nnc([C@H](C)N)o1 50284243 573342346 /nfs/dbraw/zinc/34/23/46/573342346.db2.gz XPYCAKFCVYNVLY-LURJTMIESA-N 0 0 183.255 1.993 10 0 ADAERN C[C@H]1c2noc(N)c2CN1C1CC1 107075133 573342348 /nfs/dbraw/zinc/34/23/48/573342348.db2.gz JBJPXMMKSJITQB-YFKPBYRVSA-N 0 0 179.223 1.296 10 0 ADAERN CC(=O)[C@@H](Cc1cnn(C)n1)C(C)C 308554893 573342350 /nfs/dbraw/zinc/34/23/50/573342350.db2.gz ZDPZHXYWSDHAKU-JTQLQIEISA-N 0 0 195.266 1.219 10 0 ADAERN COc1ccc(N)c(C[S@](C)=O)c1 238362673 573342393 /nfs/dbraw/zinc/34/23/93/573342393.db2.gz JUSYVVWZLZPUSS-ZDUSSCGKSA-N 0 0 199.275 1.156 10 0 ADAERN CCCC[C@H]1OCC[C@H]1CO 86251112 573342396 /nfs/dbraw/zinc/34/23/96/573342396.db2.gz XJKDNQPKENMQNN-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN COC(=O)C[C@@H](C)C(=O)C1CCCC1 50271531 573342407 /nfs/dbraw/zinc/34/24/07/573342407.db2.gz BJOMMWLATHTPOM-MRVPVSSYSA-N 0 0 198.262 1.945 10 0 ADAERN Nc1cc(-c2ccccc2N)no1 107072928 573342410 /nfs/dbraw/zinc/34/24/10/573342410.db2.gz YVLHWTCZGFRFOA-UHFFFAOYSA-N 0 0 175.191 1.506 10 0 ADAERN COCc1ccc(F)c(C=O)c1 258005102 573342430 /nfs/dbraw/zinc/34/24/30/573342430.db2.gz MFJZJUQVFWHUML-UHFFFAOYSA-N 0 0 168.167 1.785 10 0 ADAERN OC[C@H]1CCO[C@H]1c1ccoc1 86251717 573342450 /nfs/dbraw/zinc/34/24/50/573342450.db2.gz IQXRYEAVRFADLM-VXNVDRBHSA-N 0 0 168.192 1.350 10 0 ADAERN CC[C@H]1OCCC[C@H]1CO 86251740 573342458 /nfs/dbraw/zinc/34/24/58/573342458.db2.gz VNJGZMOLQKMTJL-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN CCc1ccc([C@H]2OCC[C@H]2CO)o1 86251528 573342466 /nfs/dbraw/zinc/34/24/66/573342466.db2.gz VLHYWVTXYZXQGO-KWQFWETISA-N 0 0 196.246 1.912 10 0 ADAERN CO/C(F)=C/Cl 238356843 573342467 /nfs/dbraw/zinc/34/24/67/573342467.db2.gz LFEKRYVVMLSKNM-NSCUHMNNSA-N 0 0 110.515 1.640 10 0 ADAERN Cn1[nH]c2c(Cl)cccc2c1=O 107084321 573342481 /nfs/dbraw/zinc/34/24/81/573342481.db2.gz GQUIQYNCSQWWOA-UHFFFAOYSA-N 0 0 182.610 1.520 10 0 ADAERN C[C@H]1CCC[C@H](C)N1C(=O)C(C)(C)O 235563229 573342488 /nfs/dbraw/zinc/34/24/88/573342488.db2.gz PNLSPZDODCYJFN-IUCAKERBSA-N 0 0 199.294 1.547 10 0 ADAERN CC(C)(C)[C@@H]1OCCC[C@@H]1CO 86252247 573342497 /nfs/dbraw/zinc/34/24/97/573342497.db2.gz ORSIJWNBRNNFAZ-RKDXNWHRSA-N 0 0 172.268 1.820 10 0 ADAERN OCC1(Cc2ccncc2)CC1 259091471 573342502 /nfs/dbraw/zinc/34/25/02/573342502.db2.gz JCHUBOVKCCRURT-UHFFFAOYSA-N 0 0 163.220 1.397 10 0 ADAERN OC[C@@H]1CCO[C@H]1[C@@H]1CC=CCC1 86251256 573342512 /nfs/dbraw/zinc/34/25/12/573342512.db2.gz UHYLTYNIUQHTQV-VWYCJHECSA-N 0 0 182.263 1.740 10 0 ADAERN CCC(CC)(CO)Cc1cnn(C)n1 308555459 573342529 /nfs/dbraw/zinc/34/25/29/573342529.db2.gz ZNEIHSQMKZPAEV-UHFFFAOYSA-N 0 0 197.282 1.156 10 0 ADAERN CC(C)(C)[C@H]1OCCC[C@H]1CO 86252243 573342533 /nfs/dbraw/zinc/34/25/33/573342533.db2.gz ORSIJWNBRNNFAZ-IUCAKERBSA-N 0 0 172.268 1.820 10 0 ADAERN Cn1[nH]c2cccc(Cl)c2c1=O 107084108 573342535 /nfs/dbraw/zinc/34/25/35/573342535.db2.gz WBWCCFLKSARKGT-UHFFFAOYSA-N 0 0 182.610 1.520 10 0 ADAERN C[C@@H](C1CC1)[C@@H](NN)C(C)(C)C 132760417 573342545 /nfs/dbraw/zinc/34/25/45/573342545.db2.gz ICPBMHMFXBAPJL-IONNQARKSA-N 0 0 170.300 1.911 10 0 ADAERN CCn1[nH]c2ccc(O)cc2c1=O 107083346 573342576 /nfs/dbraw/zinc/34/25/76/573342576.db2.gz IYBVOZDWHJSCSM-UHFFFAOYSA-N 0 0 178.191 1.055 10 0 ADAERN COCCc1cn2c(n1)CCC[C@@H]2C 258287213 573342584 /nfs/dbraw/zinc/34/25/84/573342584.db2.gz IWIJXDNPVRKERQ-VIFPVBQESA-N 0 0 194.278 1.969 10 0 ADAERN CC[C@H]1CNc2c(N)cccc2O1 74405040 573342587 /nfs/dbraw/zinc/34/25/87/573342587.db2.gz GDDJSUHXMRLIRW-ZETCQYMHSA-N 0 0 178.235 1.852 10 0 ADAERN CC(C)Oc1cnn([C@@H](C)[C@@H](C)O)c1 308555776 573342593 /nfs/dbraw/zinc/34/25/93/573342593.db2.gz SDUNASSQYRAHQE-DTWKUNHWSA-N 0 0 198.266 1.612 10 0 ADAERN C[C@H](O)[C@@H]1Cc2c(F)cccc2N1 258307708 573342612 /nfs/dbraw/zinc/34/26/12/573342612.db2.gz VOMUQXPEJSAOTC-WKEGUHRASA-N 0 0 181.210 1.543 10 0 ADAERN NNCNc1ccc2c(c1)CCC2 259086970 573342631 /nfs/dbraw/zinc/34/26/31/573342631.db2.gz NFYHPYXMVOGKQJ-UHFFFAOYSA-N 0 0 177.251 1.008 10 0 ADAERN COCCCc1nnc2n1CCCC2 258287832 573342644 /nfs/dbraw/zinc/34/26/44/573342644.db2.gz OAHNRQDFKYDRCN-UHFFFAOYSA-N 0 0 195.266 1.193 10 0 ADAERN CC(C)(C)[C@@H]1OCCC[C@H]1CO 86252244 573342653 /nfs/dbraw/zinc/34/26/53/573342653.db2.gz ORSIJWNBRNNFAZ-DTWKUNHWSA-N 0 0 172.268 1.820 10 0 ADAERN CC(C)CC[C@@H](NN)c1ncc[nH]1 129590588 573342661 /nfs/dbraw/zinc/34/26/61/573342661.db2.gz LXRRRYRBGLQDKA-MRVPVSSYSA-N 0 0 182.271 1.350 10 0 ADAERN COc1ccc2c(c1)O[C@@H](O)C[C@@H]2C 238356051 573342692 /nfs/dbraw/zinc/34/26/92/573342692.db2.gz FGSHJSRYOCUROP-WRWORJQWSA-N 0 0 194.230 1.900 10 0 ADAERN CC[N@@H+]1CC[C@H](C/C=C\C(=O)[O-])C1 258004987 573342694 /nfs/dbraw/zinc/34/26/94/573342694.db2.gz ASULQBDSHLIWFL-LVCFMKKZSA-N 0 0 183.251 1.359 10 0 ADAERN OC[C@H]1CCO[C@@H]1c1cccnc1 86251108 573342697 /nfs/dbraw/zinc/34/26/97/573342697.db2.gz GANSWEBVWOQHOY-NXEZZACHSA-N 0 0 179.219 1.152 10 0 ADAERN CCCC[C@H]1OCCC[C@H]1CO 86251908 573342704 /nfs/dbraw/zinc/34/27/04/573342704.db2.gz VMHQGFMDZHUSSY-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN O=C1NC[C@@H](C[C@H]2CCSC2)O1 258307446 573342716 /nfs/dbraw/zinc/34/27/16/573342716.db2.gz JQUPULBTJUZVES-RNFRBKRXSA-N 0 0 187.264 1.238 10 0 ADAERN O=c1c2cc(O)ccc2[nH]n1C1CC1 107083350 573342718 /nfs/dbraw/zinc/34/27/18/573342718.db2.gz GDNWLAYRTRYIAL-UHFFFAOYSA-N 0 0 190.202 1.370 10 0 ADAERN CC[C@H](C)[C@](C)([NH2+]CC1CC1)C(=O)[O-] 308555729 573342730 /nfs/dbraw/zinc/34/27/30/573342730.db2.gz SCMHBSRQUWYWSC-KWQFWETISA-N 0 0 199.294 1.875 10 0 ADAERN Nc1onc(-c2ccccc2)c1C=O 107073465 573342744 /nfs/dbraw/zinc/34/27/44/573342744.db2.gz SCVTYEKZFGNWDM-UHFFFAOYSA-N 0 0 188.186 1.736 10 0 ADAERN CC(C)[C@H]1OCC[C@@H]1CO 86251393 573342755 /nfs/dbraw/zinc/34/27/55/573342755.db2.gz VHBJQLXJJFKUJH-HTQZYQBOSA-N 0 0 144.214 1.040 10 0 ADAERN OC[C@@H]1CCO[C@H]1c1ccc(F)cc1 86251122 573342766 /nfs/dbraw/zinc/34/27/66/573342766.db2.gz XTEZGPDIICIUIX-ONGXEEELSA-N 0 0 196.221 1.896 10 0 ADAERN CC(C)N1Cc2c(noc2N)[C@@H]1C 107075124 573342768 /nfs/dbraw/zinc/34/27/68/573342768.db2.gz KFACVPPIQHHSHT-LURJTMIESA-N 0 0 181.239 1.542 10 0 ADAERN O[C@H]1COC[C@@H]1CCc1ccsc1 687978964 573347787 /nfs/dbraw/zinc/34/77/87/573347787.db2.gz DQPDJZLWOFPTCE-UWVGGRQHSA-N 0 0 198.287 1.688 10 0 ADAERN CCOC(=O)[C@@H](CC)NC1CC=CC1 132900932 573347795 /nfs/dbraw/zinc/34/77/95/573347795.db2.gz KNQGSIUYCJSSTB-SNVBAGLBSA-N 0 0 197.278 1.636 10 0 ADAERN CCOc1cc(/C=C\CO)ccc1O 211945112 573347805 /nfs/dbraw/zinc/34/78/05/573347805.db2.gz AZLVTHIOEZLJSZ-ARJAWSKDSA-N 0 0 194.230 1.796 10 0 ADAERN Cc1cc(C)cc([C@H]2COC[C@H]2O)c1 687978940 573347833 /nfs/dbraw/zinc/34/78/33/573347833.db2.gz DBMWHCDJZDCOLL-VXGBXAGGSA-N 0 0 192.258 1.778 10 0 ADAERN C/C=C/CN[C@H](C(=O)OC)C(C)(C)C 308556714 573347835 /nfs/dbraw/zinc/34/78/35/573347835.db2.gz ZSQNHCFMWVANHD-XCODYQFDSA-N 0 0 199.294 1.740 10 0 ADAERN C[C@]12CC[C@](C)(CC(=O)C1)O2 143691289 573347865 /nfs/dbraw/zinc/34/78/65/573347865.db2.gz AVSZHPMWLRTZKO-DTORHVGOSA-N 0 0 154.209 1.677 10 0 ADAERN CC(C)C(=O)CN1C[C@@H]2CC[C@H](C1)O2 86276755 573347871 /nfs/dbraw/zinc/34/78/71/573347871.db2.gz VVNIZZIYJMULEL-AOOOYVTPSA-N 0 0 197.278 1.075 10 0 ADAERN Cc1nc2cc3[nH]c(=O)ccc3cc2[nH]1 78036216 573347103 /nfs/dbraw/zinc/34/71/03/573347103.db2.gz SAUHMHAIBBOMCM-UHFFFAOYSA-N 0 0 199.213 1.713 10 0 ADAERN COc1c(C)ccc2c1C(=O)O[C@H]2O 238363294 573347106 /nfs/dbraw/zinc/34/71/06/573347106.db2.gz UJYQYCCVJUIPNT-SECBINFHSA-N 0 0 194.186 1.165 10 0 ADAERN OC[C@@H]1Cc2ccc(O)cc21 258635092 573347128 /nfs/dbraw/zinc/34/71/28/573347128.db2.gz YFFCDNDXUKCFDG-ZETCQYMHSA-N 0 0 150.177 1.024 10 0 ADAERN CCC[C@H](C1CC1)[C@H]1CC(=O)NC1=O 308558060 573347139 /nfs/dbraw/zinc/34/71/39/573347139.db2.gz UGOYJKOBFLFTKW-RKDXNWHRSA-N 0 0 195.262 1.475 10 0 ADAERN COC(=O)c1cc(F)cc(C=O)c1O 238362990 573347150 /nfs/dbraw/zinc/34/71/50/573347150.db2.gz QXXCOFQOKJWPNV-UHFFFAOYSA-N 0 0 198.149 1.130 10 0 ADAERN COC(=O)[C@@H](N)C/C=C/C=C\C(C)C 308357980 573347160 /nfs/dbraw/zinc/34/71/60/573347160.db2.gz DQVAQBYCINUMBC-GCRCPAEBSA-N 0 0 197.278 1.645 10 0 ADAERN Cc1cc2c([nH]1)CCC2=O 107115285 573347174 /nfs/dbraw/zinc/34/71/74/573347174.db2.gz HSXOQMBCBQOJLY-UHFFFAOYSA-N 0 0 135.166 1.452 10 0 ADAERN CCCOc1cc(C)nc(N(C)C)n1 308557970 573347176 /nfs/dbraw/zinc/34/71/76/573347176.db2.gz VECQLYOCQXJLQI-UHFFFAOYSA-N 0 0 195.266 1.640 10 0 ADAERN COC(=O)c1cc(F)cc2ccnn12 238363365 573347178 /nfs/dbraw/zinc/34/71/78/573347178.db2.gz XMAKTTARVYPZFI-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN Cc1c[nH]nc1C(=O)OCC1CC1 308358671 573347196 /nfs/dbraw/zinc/34/71/96/573347196.db2.gz CLELGKWRGWWVDP-UHFFFAOYSA-N 0 0 180.207 1.285 10 0 ADAERN C[C@H](C[NH2+]C1CC=CC1)C(=O)[O-] 132908133 573347212 /nfs/dbraw/zinc/34/72/12/573347212.db2.gz VIABHPHAKOBOEY-SSDOTTSWSA-N 0 0 169.224 1.015 10 0 ADAERN CCCCC[C@H](C)[C@@H]1CC(=O)NC1=O 132910358 573347222 /nfs/dbraw/zinc/34/72/22/573347222.db2.gz OFIPFLRWUQOBNM-IUCAKERBSA-N 0 0 197.278 1.866 10 0 ADAERN CCC[NH2+][C@H](C(=O)[O-])C1CCCC1 50272610 573347227 /nfs/dbraw/zinc/34/72/27/573347227.db2.gz XTKCVBKERZPCFF-VIFPVBQESA-N 0 0 185.267 1.629 10 0 ADAERN CCOC(=O)/C=C/COC(=O)CC 308358033 573347238 /nfs/dbraw/zinc/34/72/38/573347238.db2.gz LGEPAXKMCRLITD-AATRIKPKSA-N 0 0 186.207 1.059 10 0 ADAERN CCC(CC)[C@@H](C)NC(=O)[C@@H](C)O 308359021 573347244 /nfs/dbraw/zinc/34/72/44/573347244.db2.gz LPIJXPRVLIOGFA-HTQZYQBOSA-N 0 0 187.283 1.308 10 0 ADAERN C[C@H]1Oc2sc(N)cc2NC1=O 107093285 573347247 /nfs/dbraw/zinc/34/72/47/573347247.db2.gz CTZSXHWRMRBHSA-GSVOUGTGSA-N 0 0 184.220 1.050 10 0 ADAERN CN(C#N)C(=O)/C=C\c1cncs1 308358257 573347252 /nfs/dbraw/zinc/34/72/52/573347252.db2.gz LIYBZRKMHLAAHU-IHWYPQMZSA-N 0 0 193.231 1.096 10 0 ADAERN COC(=O)/C=C\N1C[C@@H]2CCC[C@H]2C1 308361153 573347280 /nfs/dbraw/zinc/34/72/80/573347280.db2.gz GRPZNPWHNOUPTK-QEJZFVATSA-N 0 0 195.262 1.405 10 0 ADAERN CCn1cnc([C@H](O)CCCOC)c1 308557201 573347298 /nfs/dbraw/zinc/34/72/98/573347298.db2.gz TWNOCGADVZJCMN-SNVBAGLBSA-N 0 0 198.266 1.363 10 0 ADAERN COC(=O)[C@H](C)CC(=O)C1CCCC1 50271533 573347327 /nfs/dbraw/zinc/34/73/27/573347327.db2.gz IJSOFCWIFYATDE-MRVPVSSYSA-N 0 0 198.262 1.945 10 0 ADAERN CC(C)(C)[C@H](O)c1cnco1 143694161 573347334 /nfs/dbraw/zinc/34/73/34/573347334.db2.gz SRVYGFILGTZPFK-SSDOTTSWSA-N 0 0 155.197 1.754 10 0 ADAERN COC(=O)[C@H](NC1CC1)C1CCCC1 50272632 573347336 /nfs/dbraw/zinc/34/73/36/573347336.db2.gz WTTSPNYNTRDJOR-SNVBAGLBSA-N 0 0 197.278 1.470 10 0 ADAERN CCC[C@H](C1CC1)[C@@H]1CC(=O)NC1=O 308557857 573347342 /nfs/dbraw/zinc/34/73/42/573347342.db2.gz UGOYJKOBFLFTKW-BDAKNGLRSA-N 0 0 195.262 1.475 10 0 ADAERN CCn1cnc([C@@H](O)CCCOC)c1 308557200 573347353 /nfs/dbraw/zinc/34/73/53/573347353.db2.gz TWNOCGADVZJCMN-JTQLQIEISA-N 0 0 198.266 1.363 10 0 ADAERN Cc1csc2nc(CCO)cn12 78018860 573347370 /nfs/dbraw/zinc/34/73/70/573347370.db2.gz OWGGVECXPORJQC-UHFFFAOYSA-N 0 0 182.248 1.239 10 0 ADAERN COCC(=O)OCCc1ccoc1 308360135 573347374 /nfs/dbraw/zinc/34/73/74/573347374.db2.gz LWQXVGDMHGIDAR-UHFFFAOYSA-N 0 0 184.191 1.012 10 0 ADAERN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1CC(C)(C)C 86270211 573347376 /nfs/dbraw/zinc/34/73/76/573347376.db2.gz HUYJKMFIXBEYCK-BDAKNGLRSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@@H]1SCC[C@]1(C)O 107115107 573347379 /nfs/dbraw/zinc/34/73/79/573347379.db2.gz QBRZEWFGVAAFPI-WDSKDSINSA-N 0 0 132.228 1.263 10 0 ADAERN C[C@H]1CC(C)(C)C[C@@]12NC(=O)NC2=O 235569177 573347399 /nfs/dbraw/zinc/34/73/99/573347399.db2.gz FFPIRLBXEYJRBG-QUBYGPBYSA-N 0 0 196.250 1.021 10 0 ADAERN CCc1ncoc1C=O 107114620 573347402 /nfs/dbraw/zinc/34/74/02/573347402.db2.gz MMCUAZZIEROUBP-UHFFFAOYSA-N 0 0 125.127 1.050 10 0 ADAERN OCC[C@H]1CCSC[C@H]1F 258635161 573347403 /nfs/dbraw/zinc/34/74/03/573347403.db2.gz YFPJBTVSBTVEIQ-NKWVEPMBSA-N 0 0 164.245 1.460 10 0 ADAERN C[C@@H](OC(=O)C1CC1)[C@@H]1CCOC1 308360858 573347409 /nfs/dbraw/zinc/34/74/09/573347409.db2.gz DLRYHOSAZZRDOD-VXNVDRBHSA-N 0 0 184.235 1.365 10 0 ADAERN Cc1cc(N)n(C)c1C 107109859 573347416 /nfs/dbraw/zinc/34/74/16/573347416.db2.gz WEOCCMBKIZCRKF-UHFFFAOYSA-N 0 0 124.187 1.224 10 0 ADAERN O=C1C[C@@]2(CCCC[C@H]2CCO)CN1 215168255 573347444 /nfs/dbraw/zinc/34/74/44/573347444.db2.gz BVGJEYCKDOJYAA-ONGXEEELSA-N 0 0 197.278 1.065 10 0 ADAERN CC(=O)CC/C=C/[C@H](C)O 143675707 573347448 /nfs/dbraw/zinc/34/74/48/573347448.db2.gz QNTNAQABHXCOEA-MZTFZBDOSA-N 0 0 142.198 1.293 10 0 ADAERN Cc1ccccc1OCC[C@H](O)CO 78035882 573347452 /nfs/dbraw/zinc/34/74/52/573347452.db2.gz QOCPJSMJANGMSK-JTQLQIEISA-N 0 0 196.246 1.117 10 0 ADAERN Nc1cc(F)cs1 107110016 573347485 /nfs/dbraw/zinc/34/74/85/573347485.db2.gz ZIYIBRAJUKYWRU-UHFFFAOYSA-N 0 0 117.148 1.469 10 0 ADAERN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1CC(C)(C)C 86270209 573347490 /nfs/dbraw/zinc/34/74/90/573347490.db2.gz HUYJKMFIXBEYCK-RKDXNWHRSA-N 0 0 199.294 1.828 10 0 ADAERN C[C@H](O)C1(CCF)CC1 235568033 573347502 /nfs/dbraw/zinc/34/75/02/573347502.db2.gz WDCWEWFHAAGRJS-LURJTMIESA-N 0 0 132.178 1.507 10 0 ADAERN C[C@H]1SCC[C@]1(C)O 107115104 573347503 /nfs/dbraw/zinc/34/75/03/573347503.db2.gz QBRZEWFGVAAFPI-RITPCOANSA-N 0 0 132.228 1.263 10 0 ADAERN CC(C)C(=O)Cn1ccccc1=O 86276789 573347512 /nfs/dbraw/zinc/34/75/12/573347512.db2.gz QPYGRBQUHIXASB-UHFFFAOYSA-N 0 0 179.219 1.073 10 0 ADAERN Nc1cc2c(s1)OCC2 107108240 573347526 /nfs/dbraw/zinc/34/75/26/573347526.db2.gz UAFVCTAXDOZIGH-UHFFFAOYSA-N 0 0 141.195 1.265 10 0 ADAERN COC[C@@H](C)CN(C)C(=O)C=C(C)C 308556685 573347540 /nfs/dbraw/zinc/34/75/40/573347540.db2.gz ZRKCHIYRETVOLL-JTQLQIEISA-N 0 0 199.294 1.694 10 0 ADAERN CCOCCC(=O)c1cn(CC)cn1 308556147 573347550 /nfs/dbraw/zinc/34/75/50/573347550.db2.gz SKBYKGVFXCYEFO-UHFFFAOYSA-N 0 0 196.250 1.512 10 0 ADAERN CC(C)C(=O)CN1CCOCC1(C)C 86276386 573347576 /nfs/dbraw/zinc/34/75/76/573347576.db2.gz BGCDBAZIHXGKOX-UHFFFAOYSA-N 0 0 199.294 1.322 10 0 ADAERN CC1(C)CCc2ncc(C=O)n2C1 143685965 573347579 /nfs/dbraw/zinc/34/75/79/573347579.db2.gz HELXKSLPDNIOAQ-UHFFFAOYSA-N 0 0 178.235 1.668 10 0 ADAERN C[C@H](O)CCC[C@H]1CCCCNC1=O 308557354 573347593 /nfs/dbraw/zinc/34/75/93/573347593.db2.gz BWDAZZKYOOYUSJ-VHSXEESVSA-N 0 0 199.294 1.454 10 0 ADAERN C[C@H](CO)C(C)(C)F 107114566 573347608 /nfs/dbraw/zinc/34/76/08/573347608.db2.gz HKJILKSFIMKZOA-RXMQYKEDSA-N 0 0 120.167 1.363 10 0 ADAERN CC(C)c1c[nH]c([C@@H]2COCCN2)n1 86276579 573347641 /nfs/dbraw/zinc/34/76/41/573347641.db2.gz HIJNASYEZRWEJA-VIFPVBQESA-N 0 0 195.266 1.194 10 0 ADAERN O=C([O-])[C@]1([NH2+]CC2CC2)CC[C@H]2C[C@H]21 308556462 573347665 /nfs/dbraw/zinc/34/76/65/573347665.db2.gz SMNFZGDFZZRGOU-NGZCFLSTSA-N 0 0 195.262 1.239 10 0 ADAERN CC/C=C/C(=O)N(C)C[C@@H](C)CO 308359351 573347692 /nfs/dbraw/zinc/34/76/92/573347692.db2.gz LRLABRZWHXKSMX-VUHVRTRXSA-N 0 0 185.267 1.039 10 0 ADAERN COc1cccc(C(=O)[O-])c1[C@H](C)[NH3+] 238364946 573347693 /nfs/dbraw/zinc/34/76/93/573347693.db2.gz OBEFKEWQKSUFRV-LURJTMIESA-N 0 0 195.218 1.413 10 0 ADAERN C[C@@H]1[NH2+]CCCN(CC(C)(C)C)C1=O 258292539 573347696 /nfs/dbraw/zinc/34/76/96/573347696.db2.gz VVNVLBZOIFSPOG-VIFPVBQESA-N 0 0 198.310 1.243 10 0 ADAERN CCOC(=O)/C=C\COC(=O)CC 308358039 573347697 /nfs/dbraw/zinc/34/76/97/573347697.db2.gz LGEPAXKMCRLITD-WAYWQWQTSA-N 0 0 186.207 1.059 10 0 ADAERN COc1cc(F)c2oncc2c1 238364848 573347714 /nfs/dbraw/zinc/34/77/14/573347714.db2.gz PQFZFDBGTLRKEF-UHFFFAOYSA-N 0 0 167.139 1.976 10 0 ADAERN Cc1sc(N)nc1[C@H]1CCCO1 259610047 573347733 /nfs/dbraw/zinc/34/77/33/573347733.db2.gz DPRVQASKFTWEPM-ZCFIWIBFSA-N 0 0 184.264 1.885 10 0 ADAERN Cc1cc(N)[nH]c1C 107110176 573347744 /nfs/dbraw/zinc/34/77/44/573347744.db2.gz VWNCFESJAPNOLF-UHFFFAOYSA-N 0 0 110.160 1.214 10 0 ADAERN COc1ccc(C)c2ccnn12 238365837 573347907 /nfs/dbraw/zinc/34/79/07/573347907.db2.gz AEVJHRKSWBAPCJ-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN CC(C)c1[nH]ccc1N 107109876 573347920 /nfs/dbraw/zinc/34/79/20/573347920.db2.gz MRTVECJBSSVILC-UHFFFAOYSA-N 0 0 124.187 1.720 10 0 ADAERN COc1cc(C)c(C)nc1C(C)=O 238365902 573347921 /nfs/dbraw/zinc/34/79/21/573347921.db2.gz JAKFZQCQHLTDBO-UHFFFAOYSA-N 0 0 179.219 1.910 10 0 ADAERN C[C@@H](O)CCNc1cccc(N)c1 82991297 573348680 /nfs/dbraw/zinc/34/86/80/573348680.db2.gz FXVVLVUICMRADC-MRVPVSSYSA-N 0 0 180.251 1.452 10 0 ADAERN Cc1cnoc1C(=O)OCC(F)F 308358768 573348681 /nfs/dbraw/zinc/34/86/81/573348681.db2.gz CNXNWSUQRBNFJB-UHFFFAOYSA-N 0 0 191.133 1.405 10 0 ADAERN CC(C)C(=O)CN1C[C@@H](C)OC[C@H]1C 86276339 573347944 /nfs/dbraw/zinc/34/79/44/573347944.db2.gz KAOOPNXLFSXCKQ-NXEZZACHSA-N 0 0 199.294 1.321 10 0 ADAERN Cc1cnn(CC(=O)C(C)C)c1 86276776 573347955 /nfs/dbraw/zinc/34/79/55/573347955.db2.gz XOLSHVIPIVTUTA-UHFFFAOYSA-N 0 0 166.224 1.417 10 0 ADAERN COC(=O)C(C)(C)N[C@@H]1C[C@@H](C)[C@@H]1C 308557657 573347956 /nfs/dbraw/zinc/34/79/56/573347956.db2.gz CDORJKFWMSLEBD-HRDYMLBCSA-N 0 0 199.294 1.572 10 0 ADAERN CNC(=S)OCc1ccccc1F 238365680 573347968 /nfs/dbraw/zinc/34/79/68/573347968.db2.gz DPTOOQFIMFTALR-UHFFFAOYSA-N 0 0 199.250 1.847 10 0 ADAERN 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198.197 1.250 10 0 ADAERN CCONCc1ccc(C)cn1 132925282 573348130 /nfs/dbraw/zinc/34/81/30/573348130.db2.gz CCLHCCYSOFLQEJ-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN C/C=C/C(=O)NC[C@H]1CCCC[C@H]1O 82992199 573348139 /nfs/dbraw/zinc/34/81/39/573348139.db2.gz RUTBEAZTNOOIHW-CNZCLXAMSA-N 0 0 197.278 1.230 10 0 ADAERN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1C1CCC1 86270099 573348141 /nfs/dbraw/zinc/34/81/41/573348141.db2.gz LNIFWTCPPVWBNK-VXNVDRBHSA-N 0 0 183.251 1.334 10 0 ADAERN C[C@H](C[C@H]([NH3+])c1ccncc1)C(=O)[O-] 259423187 573348142 /nfs/dbraw/zinc/34/81/42/573348142.db2.gz PCAVLAKWVUIPNR-APPZFPTMSA-N 0 0 194.234 1.192 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C 86270174 573348170 /nfs/dbraw/zinc/34/81/70/573348170.db2.gz OZCKVWQLOPSWNW-GUBZILKMSA-N 0 0 199.294 1.826 10 0 ADAERN CC(C)C(=O)CN1C[C@@H](C)O[C@H](C)C1 86276297 573348191 /nfs/dbraw/zinc/34/81/91/573348191.db2.gz ZIOODXWJKYKEBI-NXEZZACHSA-N 0 0 199.294 1.321 10 0 ADAERN O[C@@H]1COC[C@H]1CCc1ccsc1 687978963 573348192 /nfs/dbraw/zinc/34/81/92/573348192.db2.gz DQPDJZLWOFPTCE-NXEZZACHSA-N 0 0 198.287 1.688 10 0 ADAERN O=C(/C=C/C1CCC1)NCC1CC1 308358258 573348210 /nfs/dbraw/zinc/34/82/10/573348210.db2.gz BORQTZDSFCBIRG-VOTSOKGWSA-N 0 0 179.263 1.869 10 0 ADAERN CC/C=C\C(=O)N(C)C[C@@H](C)CO 308359348 573348219 /nfs/dbraw/zinc/34/82/19/573348219.db2.gz LRLABRZWHXKSMX-SSJHQANKSA-N 0 0 185.267 1.039 10 0 ADAERN C=Cc1cncc(NC)c1 209787919 573348220 /nfs/dbraw/zinc/34/82/20/573348220.db2.gz BSXIZUZVVUJEFG-UHFFFAOYSA-N 0 0 134.182 1.766 10 0 ADAERN COc1cc(F)cc2c1C(=O)CC2 238365568 573348222 /nfs/dbraw/zinc/34/82/22/573348222.db2.gz GUTXDINEOFZTFT-UHFFFAOYSA-N 0 0 180.178 1.963 10 0 ADAERN CO[C@@H](C(C)=O)c1ccco1 238364696 573348235 /nfs/dbraw/zinc/34/82/35/573348235.db2.gz JIHCOPIXECSXGC-QMMMGPOBSA-N 0 0 154.165 1.556 10 0 ADAERN COC12CCC(CC1)C[C@@H]2[C@@H](C)O 238365152 573348261 /nfs/dbraw/zinc/34/82/61/573348261.db2.gz IEDXMXFKMMARNU-BZCXBAJXSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1ccc(CCC(=O)N2CC2)o1 308359576 573348275 /nfs/dbraw/zinc/34/82/75/573348275.db2.gz CQQSNVWXUJQCBL-UHFFFAOYSA-N 0 0 179.219 1.363 10 0 ADAERN CCNC(=O)CCn1cc(C)c(C)c1 308556767 573348277 /nfs/dbraw/zinc/34/82/77/573348277.db2.gz STDSHJARBZJBRI-UHFFFAOYSA-N 0 0 194.278 1.631 10 0 ADAERN C[C@H](O)CCNc1cc[nH+]cc1 82997662 573348278 /nfs/dbraw/zinc/34/82/78/573348278.db2.gz JMYRSADEIYFPIL-QMMMGPOBSA-N 0 0 166.224 1.264 10 0 ADAERN COc1cccc(C)c1NC=O 117500089 573348347 /nfs/dbraw/zinc/34/83/47/573348347.db2.gz KDWAYFUZCLQDAM-UHFFFAOYSA-N 0 0 165.192 1.572 10 0 ADAERN Cc1ccc(NCC[C@@H](C)O)cc1N 82991372 573348366 /nfs/dbraw/zinc/34/83/66/573348366.db2.gz QLLITMKDHMSTJN-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN CCc1cc(N)oc1C 107109806 573348422 /nfs/dbraw/zinc/34/84/22/573348422.db2.gz GDCWTVRJBLLPNV-UHFFFAOYSA-N 0 0 125.171 1.733 10 0 ADAERN COc1ccc(C)c2c(N)n[nH]c12 238365492 573348426 /nfs/dbraw/zinc/34/84/26/573348426.db2.gz FYYKHOBUTYHFRG-UHFFFAOYSA-N 0 0 177.207 1.462 10 0 ADAERN 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74626652 573357505 /nfs/dbraw/zinc/35/75/05/573357505.db2.gz GBBIVNFOFCZYDT-UHFFFAOYSA-N 0 0 194.234 1.090 10 0 ADAERN CC(C)(O)[C@@H]1COc2cccc(O)c21 258010318 573357522 /nfs/dbraw/zinc/35/75/22/573357522.db2.gz JAVMIRLFINFSKP-SSDOTTSWSA-N 0 0 194.230 1.639 10 0 ADAERN COCNC(=O)Nc1ccc(F)cc1 74626912 573357561 /nfs/dbraw/zinc/35/75/61/573357561.db2.gz BWNWYKBWOSVZNL-UHFFFAOYSA-N 0 0 198.197 1.551 10 0 ADAERN O=C1C[C@]2(CCN1)CC2(Cl)Cl 117659334 573357565 /nfs/dbraw/zinc/35/75/65/573357565.db2.gz MBLQSPFCGBNHTM-ZCFIWIBFSA-N 0 0 194.061 1.460 10 0 ADAERN COc1ccn2ccnc2c1F 238368817 573357568 /nfs/dbraw/zinc/35/75/68/573357568.db2.gz OPTRRJFVCWTBOC-UHFFFAOYSA-N 0 0 166.155 1.482 10 0 ADAERN Cc1noc(C)c1[C@H](N)CF 107119015 573357572 /nfs/dbraw/zinc/35/75/72/573357572.db2.gz WLPRFIWSBZJVJQ-ZCFIWIBFSA-N 0 0 158.176 1.261 10 0 ADAERN CCc1ccc(C=O)c(OC)n1 107120492 573357598 /nfs/dbraw/zinc/35/75/98/573357598.db2.gz NTJZHFZFYZJVAA-UHFFFAOYSA-N 0 0 165.192 1.465 10 0 ADAERN O=C(Nc1cc[nH]c1)[C@H]1CCCC[NH2+]1 258637055 573357603 /nfs/dbraw/zinc/35/76/03/573357603.db2.gz DTAIAXOJGBVGTF-SECBINFHSA-N 0 0 193.250 1.095 10 0 ADAERN CCCC(=O)NCCc1c[nH]c(C)n1 74579664 573357634 /nfs/dbraw/zinc/35/76/34/573357634.db2.gz LKRCURWFYTUITM-UHFFFAOYSA-N 0 0 195.266 1.177 10 0 ADAERN CSCO[C@@H](C)[C@@H](C)O 238369133 573357652 /nfs/dbraw/zinc/35/76/52/573357652.db2.gz KFKLPBGQKQBKQO-RITPCOANSA-N 0 0 150.243 1.093 10 0 ADAERN COc1c(N)cc(C(F)F)nc1C 238369510 573357660 /nfs/dbraw/zinc/35/76/60/573357660.db2.gz USYNWUNMTXTLBF-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CO[C@@H](C)C(=O)N[C@@H](C)C(C)(C)C 132833311 573357667 /nfs/dbraw/zinc/35/76/67/573357667.db2.gz QKNPKWQNYWMDKN-YUMQZZPRSA-N 0 0 187.283 1.572 10 0 ADAERN ONCc1ccc(CCF)cc1 258010046 573357673 /nfs/dbraw/zinc/35/76/73/573357673.db2.gz MYVPMSHTPCSSMF-UHFFFAOYSA-N 0 0 169.199 1.677 10 0 ADAERN Nc1ncc(-c2ccc(F)cc2)nn1 117628596 573357676 /nfs/dbraw/zinc/35/76/76/573357676.db2.gz LBLLDDIKZGADLZ-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN C/C=C\C[N@@H+](CCCC)CC(N)=O 308363581 573357702 /nfs/dbraw/zinc/35/77/02/573357702.db2.gz MZHDUZCSQIAXIQ-HYXAFXHYSA-N 0 0 184.283 1.150 10 0 ADAERN CCOCCC[C@@H](NN)c1ccoc1 132960387 573357756 /nfs/dbraw/zinc/35/77/56/573357756.db2.gz WTYBSCFQQNDBGI-SNVBAGLBSA-N 0 0 198.266 1.601 10 0 ADAERN Cc1ccc(C[NH+](C)C)cc1C(=O)[O-] 258009553 573357776 /nfs/dbraw/zinc/35/77/76/573357776.db2.gz ASOZTGJGHXLVDK-UHFFFAOYSA-N 0 0 193.246 1.755 10 0 ADAERN COc1ccn2cncc2c1Cl 238369000 573357799 /nfs/dbraw/zinc/35/77/99/573357799.db2.gz IMTLRZPXBMIYOM-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN C[C@@H](CO)C1OCC(C)(C)CO1 238369483 573357818 /nfs/dbraw/zinc/35/78/18/573357818.db2.gz CTVUEDPUPOCYCS-ZETCQYMHSA-N 0 0 174.240 1.014 10 0 ADAERN CO[C@H](C)C(=O)N[C@@H](C)C(C)(C)C 132833514 573357820 /nfs/dbraw/zinc/35/78/20/573357820.db2.gz QKNPKWQNYWMDKN-SFYZADRCSA-N 0 0 187.283 1.572 10 0 ADAERN CSCOC[C@@H]1CCCCO1 238368993 573357821 /nfs/dbraw/zinc/35/78/21/573357821.db2.gz 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132992404 573361547 /nfs/dbraw/zinc/36/15/47/573361547.db2.gz NWOYQXBREINXIO-QMMMGPOBSA-N 0 0 169.224 1.752 10 0 ADAERN CN[C@@H](CF)c1c(C)noc1C 107123704 573361550 /nfs/dbraw/zinc/36/15/50/573361550.db2.gz IVAHZZWPMAYRLC-ZETCQYMHSA-N 0 0 172.203 1.521 10 0 ADAERN C[C@H](OC(=O)c1csnn1)C1CC1 308363048 573361556 /nfs/dbraw/zinc/36/15/56/573361556.db2.gz FNTBEZGBCIVSIO-YFKPBYRVSA-N 0 0 198.247 1.493 10 0 ADAERN CSC[C@@H](CO)c1cccnc1 258296466 573361557 /nfs/dbraw/zinc/36/15/57/573361557.db2.gz WDSOXHABMOGGDB-SECBINFHSA-N 0 0 183.276 1.521 10 0 ADAERN COCNC(=O)Nc1ccc(C)cc1 74626860 573361569 /nfs/dbraw/zinc/36/15/69/573361569.db2.gz BLXSJQINMOKOAK-UHFFFAOYSA-N 0 0 194.234 1.720 10 0 ADAERN Cc1n[nH]cc1NCC(C)(C)F 107123191 573361580 /nfs/dbraw/zinc/36/15/80/573361580.db2.gz JYITZCRZJOZICF-UHFFFAOYSA-N 0 0 171.219 1.878 10 0 ADAERN Nc1cc(Cc2ccccc2)on1 117691757 573361593 /nfs/dbraw/zinc/36/15/93/573361593.db2.gz MJJDMESIISMXGF-UHFFFAOYSA-N 0 0 174.203 1.848 10 0 ADAERN CC1CCC2(CCC(=O)N2)CC1 107121384 573361620 /nfs/dbraw/zinc/36/16/20/573361620.db2.gz SWXGDNFUJOOIFZ-UHFFFAOYSA-N 0 0 167.252 1.845 10 0 ADAERN Nc1cncc(NCC2CC=CC2)n1 717376849 573361626 /nfs/dbraw/zinc/36/16/26/573361626.db2.gz PNPMEGWXAHUORA-UHFFFAOYSA-N 0 0 190.250 1.437 10 0 ADAERN CC[C@@H](CNc1ncc[nH]c1=O)OC 308562155 573361641 /nfs/dbraw/zinc/36/16/41/573361641.db2.gz FXBBDFRKXYWPTO-ZETCQYMHSA-N 0 0 197.238 1.019 10 0 ADAERN O=C1N[C@H](C[C@@H]2CCSC2)CO1 258295216 573361643 /nfs/dbraw/zinc/36/16/43/573361643.db2.gz JCZADDHCQNCPPB-NKWVEPMBSA-N 0 0 187.264 1.238 10 0 ADAERN [NH3+]Cc1sc(C2CC2)nc1[O-] 107122709 573361704 /nfs/dbraw/zinc/36/17/04/573361704.db2.gz QKJCRCLLSQFIHW-UHFFFAOYSA-N 0 0 170.237 1.185 10 0 ADAERN CCC[C@H]([NH2+]Cc1nnc[nH]1)C1CC1 308562605 573361783 /nfs/dbraw/zinc/36/17/83/573361783.db2.gz WXGLZKYZBXOFDW-VIFPVBQESA-N 0 0 194.282 1.473 10 0 ADAERN O=C1C[C@@H](c2ccco2)CCO1 107120687 573361804 /nfs/dbraw/zinc/36/18/04/573361804.db2.gz GRPSWFWJFOUKDQ-ZETCQYMHSA-N 0 0 166.176 1.700 10 0 ADAERN c1coc(Cc2nnc3ccccn23)c1 258011061 573361812 /nfs/dbraw/zinc/36/18/12/573361812.db2.gz QEPXWPNPVVIFGV-UHFFFAOYSA-N 0 0 199.213 1.913 10 0 ADAERN FC[C@H](NC1CC1)C(F)(F)F 107123033 573361819 /nfs/dbraw/zinc/36/18/19/573361819.db2.gz FURUPELCPCSTLU-YFKPBYRVSA-N 0 0 171.137 1.639 10 0 ADAERN C=C(OC)C(=O)N(C)CCC 39081048 573361825 /nfs/dbraw/zinc/36/18/25/573361825.db2.gz UBHJOWVWWRRNHR-UHFFFAOYSA-N 0 0 157.213 1.015 10 0 ADAERN CCCC1([C@@H](O)c2cnn(C)n2)CC1 308562932 573361834 /nfs/dbraw/zinc/36/18/34/573361834.db2.gz GHLJMIKMLLUJFC-VIFPVBQESA-N 0 0 195.266 1.429 10 0 ADAERN CC(C)Cc1c(C=O)cnn1C 107120853 573361835 /nfs/dbraw/zinc/36/18/35/573361835.db2.gz QWMBGSJRIOVQRS-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN CC(C)(C)OC[C@@H](NN)c1ccoc1 133011535 573361836 /nfs/dbraw/zinc/36/18/36/573361836.db2.gz IVRILAMVSYBODR-SECBINFHSA-N 0 0 198.266 1.599 10 0 ADAERN CC(C)C1(c2oc(=O)[nH]c2N)CCC1 686128247 573361860 /nfs/dbraw/zinc/36/18/60/573361860.db2.gz ITVWYAYOSSYWGN-ZETCQYMHSA-N 0 0 196.250 1.898 10 0 ADAERN OCCc1cnc([C@H]2CCCO2)s1 258299844 573361881 /nfs/dbraw/zinc/36/18/81/573361881.db2.gz ZRBAIORIAHXDGI-MRVPVSSYSA-N 0 0 199.275 1.529 10 0 ADAERN CCCCC[C@@H](NN)c1cncnc1 129728055 573361895 /nfs/dbraw/zinc/36/18/95/573361895.db2.gz IGPBEQYUUDFMJV-SNVBAGLBSA-N 0 0 194.282 1.561 10 0 ADAERN CNc1scc(C)c(=O)c1C 238362041 573361910 /nfs/dbraw/zinc/36/19/10/573361910.db2.gz QGKBTWIHMNHIJI-UHFFFAOYSA-N 0 0 169.249 1.767 10 0 ADAERN NC(=O)c1cc(O)c2sccc2c1 117703438 573361929 /nfs/dbraw/zinc/36/19/29/573361929.db2.gz VULLKSFMGADJIO-UHFFFAOYSA-N 0 0 193.227 1.706 10 0 ADAERN CCCc1c(N)n[nH]c1-c1cn[nH]c1 86314511 573361933 /nfs/dbraw/zinc/36/19/33/573361933.db2.gz GDWQKDLGMQJJQU-UHFFFAOYSA-N 0 0 191.238 1.335 10 0 ADAERN CC(C)(C)Cc1cc(=O)[nH][nH]1 197513124 573361972 /nfs/dbraw/zinc/36/19/72/573361972.db2.gz MFTFCVKASOJNPH-UHFFFAOYSA-N 0 0 154.213 1.292 10 0 ADAERN C[C@]1(CO)CCc2ccc(F)cc2N1 258300758 573361973 /nfs/dbraw/zinc/36/19/73/573361973.db2.gz VCTBBFHOMFSKLC-LLVKDONJSA-N 0 0 195.237 1.935 10 0 ADAERN Cn1nc(C=O)cc1C(C)(C)C 107120847 573361979 /nfs/dbraw/zinc/36/19/79/573361979.db2.gz XABYQOQAUNKNJO-UHFFFAOYSA-N 0 0 166.224 1.530 10 0 ADAERN CCC(=O)[C@@H](C)n1cc(C(C)=O)cn1 308563339 573361981 /nfs/dbraw/zinc/36/19/81/573361981.db2.gz XGEJZJKTDUZTMG-SSDOTTSWSA-N 0 0 194.234 1.626 10 0 ADAERN COc1ccc2[nH]c(=O)[nH]c2c1Cl 238362081 573361986 /nfs/dbraw/zinc/36/19/86/573361986.db2.gz QFEZLIKIUBUMBA-UHFFFAOYSA-N 0 0 198.609 1.518 10 0 ADAERN CO[C@H](C(C)C)[C@@H](O)Cc1ccco1 132980543 573361999 /nfs/dbraw/zinc/36/19/99/573361999.db2.gz IPQLJADYZCYJMK-WDEREUQCSA-N 0 0 198.262 1.854 10 0 ADAERN CO[C@H]1COCc2ccccc21 238361060 573362002 /nfs/dbraw/zinc/36/20/02/573362002.db2.gz RAQAMUDNJJNIST-JTQLQIEISA-N 0 0 164.204 1.904 10 0 ADAERN Nc1cccc(C(=O)NCCCF)c1 308562830 573362009 /nfs/dbraw/zinc/36/20/09/573362009.db2.gz XBKQEWPWTKHNJF-UHFFFAOYSA-N 0 0 196.225 1.358 10 0 ADAERN CCC(=O)[C@H](C)n1cc(C(C)=O)cn1 308563340 573362014 /nfs/dbraw/zinc/36/20/14/573362014.db2.gz XGEJZJKTDUZTMG-ZETCQYMHSA-N 0 0 194.234 1.626 10 0 ADAERN COC(=O)c1cc(Cl)ncc1C=O 238360974 573362024 /nfs/dbraw/zinc/36/20/24/573362024.db2.gz WHUIREPGOINREW-UHFFFAOYSA-N 0 0 199.593 1.334 10 0 ADAERN CC1CC[NH+]([C@@H](C)[C@H](C)C(=O)[O-])CC1 86305721 573362034 /nfs/dbraw/zinc/36/20/34/573362034.db2.gz KSKWUERUPMOYDC-UWVGGRQHSA-N 0 0 199.294 1.828 10 0 ADAERN CCn1cc([C@H](C)NOC)cn1 132983352 573362037 /nfs/dbraw/zinc/36/20/37/573362037.db2.gz QZAUHYIVCMSGCO-ZETCQYMHSA-N 0 0 169.228 1.115 10 0 ADAERN CCC1(CNN2CCOCC2)CCC1 308562935 573362045 /nfs/dbraw/zinc/36/20/45/573362045.db2.gz GHMLNTBMPJBAMT-UHFFFAOYSA-N 0 0 198.310 1.404 10 0 ADAERN CC(=O)C/C=C/Br 214708693 573362083 /nfs/dbraw/zinc/36/20/83/573362083.db2.gz OIUCKQAXRUYQIU-DUXPYHPUSA-N 0 0 163.014 1.874 10 0 ADAERN CCC[C@@H](O)COc1ccc(O)cc1 258011066 573362133 /nfs/dbraw/zinc/36/21/33/573362133.db2.gz FKVZHWVUWKOYJF-SNVBAGLBSA-N 0 0 196.246 1.932 10 0 ADAERN Cc1cc(Cc2ccccn2)cnc1N 129737431 573362144 /nfs/dbraw/zinc/36/21/44/573362144.db2.gz VKHQFHGINYMADY-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN C[C@@H]([C@@H](C)C(=O)[O-])[N@@H+]1CC[C@@H](C)C1 86306715 573362157 /nfs/dbraw/zinc/36/21/57/573362157.db2.gz WSACIVFNPFDTIU-HLTSFMKQSA-N 0 0 185.267 1.437 10 0 ADAERN CC1CC[NH+]([C@H](C)[C@@H](C)C(=O)[O-])CC1 86305720 573362168 /nfs/dbraw/zinc/36/21/68/573362168.db2.gz KSKWUERUPMOYDC-NXEZZACHSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1ncsc1CC(=O)NC(C)C 74644944 573362180 /nfs/dbraw/zinc/36/21/80/573362180.db2.gz ZNEZBOVLSYLVLQ-UHFFFAOYSA-N 0 0 198.291 1.519 10 0 ADAERN CCN(C)C(=O)/C=C\c1cncs1 308369337 573362208 /nfs/dbraw/zinc/36/22/08/573362208.db2.gz PNRZOVZNAJGJIO-PLNGDYQASA-N 0 0 196.275 1.635 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H](C)[N@@H+]1CCCC1(C)C 86307820 573362230 /nfs/dbraw/zinc/36/22/30/573362230.db2.gz XTJWKOLZLQPYTD-RKDXNWHRSA-N 0 0 199.294 1.970 10 0 ADAERN COC(=O)C(C)(C)c1nc(C)cs1 259428044 573362243 /nfs/dbraw/zinc/36/22/43/573362243.db2.gz ULBHWFKNDVFDGR-UHFFFAOYSA-N 0 0 199.275 1.902 10 0 ADAERN COC(=O)[C@H]1c2ccccc2O[C@H]1C 238362167 573362260 /nfs/dbraw/zinc/36/22/60/573362260.db2.gz DDVKLEJXBFOPBG-OIBJUYFYSA-N 0 0 192.214 1.724 10 0 ADAERN COC[C@@H](CO)Cc1ccccc1C 129761457 573365995 /nfs/dbraw/zinc/36/59/95/573365995.db2.gz PRHLVPBKCPVAPG-LLVKDONJSA-N 0 0 194.274 1.792 10 0 ADAERN CC(=O)[C@@]12C=C[C@@H](CC1)C2 117745915 573366012 /nfs/dbraw/zinc/36/60/12/573366012.db2.gz ZMPASJLCJQIVEK-IUCAKERBSA-N 0 0 136.194 1.932 10 0 ADAERN O=C(CCc1cocn1)N1CCCC1 74643659 573366021 /nfs/dbraw/zinc/36/60/21/573366021.db2.gz POEMEPVNZBWLHO-UHFFFAOYSA-N 0 0 194.234 1.230 10 0 ADAERN CCOCCC[C@@H](NN)c1ccco1 133049097 573366025 /nfs/dbraw/zinc/36/60/25/573366025.db2.gz WGEKGTFTEUPRJW-SECBINFHSA-N 0 0 198.266 1.601 10 0 ADAERN CONCc1ccccc1[C@H](C)O 259429211 573366060 /nfs/dbraw/zinc/36/60/60/573366060.db2.gz NROKVVDQQBYOLG-QMMMGPOBSA-N 0 0 181.235 1.391 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1ccnn1C 83037023 573366071 /nfs/dbraw/zinc/36/60/71/573366071.db2.gz HFIAFLNGVHVUSS-NRPADANISA-N 0 0 180.251 1.295 10 0 ADAERN CCCCc1nccc(N)n1 86323525 573366085 /nfs/dbraw/zinc/36/60/85/573366085.db2.gz DMDFIYPWFCABGI-UHFFFAOYSA-N 0 0 151.213 1.401 10 0 ADAERN O[C@@H]1CCc2nc(C3CC3)cn2C1 258312752 573366092 /nfs/dbraw/zinc/36/60/92/573366092.db2.gz JXGNDYQLRPBSFW-MRVPVSSYSA-N 0 0 178.235 1.068 10 0 ADAERN COc1ccc2c(c1)[C@H](C)[C@H]2O 238361696 573366166 /nfs/dbraw/zinc/36/61/66/573366166.db2.gz NFSZLKGQMQRMOJ-QUBYGPBYSA-N 0 0 164.204 1.846 10 0 ADAERN CCON[C@@H](C)c1cnccn1 133100020 573366178 /nfs/dbraw/zinc/36/61/78/573366178.db2.gz ORLKHIMRHAHCSO-ZETCQYMHSA-N 0 0 167.212 1.079 10 0 ADAERN CC(C)Cc1ccc(N(C)C#N)nn1 259429042 573366179 /nfs/dbraw/zinc/36/61/79/573366179.db2.gz XLSKQVTUHKBSBW-UHFFFAOYSA-N 0 0 190.250 1.592 10 0 ADAERN C[C@H]([NH2+]CC1(O)CCC1)c1ccon1 308563676 573366188 /nfs/dbraw/zinc/36/61/88/573366188.db2.gz GTUKRKLDWIPYJH-QMMMGPOBSA-N 0 0 196.250 1.240 10 0 ADAERN Cc1ccc2c(c1)OC[C@@H](CO)N2 107126750 573366189 /nfs/dbraw/zinc/36/61/89/573366189.db2.gz KLXSAIKATOTSEM-MRVPVSSYSA-N 0 0 179.219 1.160 10 0 ADAERN CC(C)(CON)C(F)F 259429319 573366217 /nfs/dbraw/zinc/36/62/17/573366217.db2.gz KELFFJPAHSVMGH-UHFFFAOYSA-N 0 0 139.145 1.168 10 0 ADAERN Cc1nc(CCC(=O)NC(C)C)co1 74644099 573366218 /nfs/dbraw/zinc/36/62/18/573366218.db2.gz NIIPSRVKSIMFLA-UHFFFAOYSA-N 0 0 196.250 1.440 10 0 ADAERN COc1cc(C=O)cc2cc[nH]c12 107125098 573366219 /nfs/dbraw/zinc/36/62/19/573366219.db2.gz WKQCTAOODKZRBY-UHFFFAOYSA-N 0 0 175.187 1.989 10 0 ADAERN N[C@H](c1ncccn1)C(F)(F)F 117723073 573366246 /nfs/dbraw/zinc/36/62/46/573366246.db2.gz XJLPPOMSTMENML-SCSAIBSYSA-N 0 0 177.129 1.039 10 0 ADAERN COc1cccc(-c2nnco2)c1O 238360796 573366250 /nfs/dbraw/zinc/36/62/50/573366250.db2.gz AUDQGHNFYUYSDZ-UHFFFAOYSA-N 0 0 192.174 1.451 10 0 ADAERN CC(C)CONC[C@@H]1CCOC1 133110401 573366268 /nfs/dbraw/zinc/36/62/68/573366268.db2.gz RKCDYFRLOMYSAE-VIFPVBQESA-N 0 0 173.256 1.200 10 0 ADAERN Cc1c(C)c2ccc(N)cc2oc1=O 117746174 573366278 /nfs/dbraw/zinc/36/62/78/573366278.db2.gz YWHWZGYRIVQPAS-UHFFFAOYSA-N 0 0 189.214 1.992 10 0 ADAERN C[C@@H](CON)CC(F)F 688748778 573366286 /nfs/dbraw/zinc/36/62/86/573366286.db2.gz PNUGRRRRVVNDLW-SCSAIBSYSA-N 0 0 139.145 1.168 10 0 ADAERN CC(C)c1ccc2c(N)n[nH]c2n1 107125408 573366292 /nfs/dbraw/zinc/36/62/92/573366292.db2.gz GHHMDZIPTBUCPL-UHFFFAOYSA-N 0 0 176.223 1.664 10 0 ADAERN COc1ccc(CC2(O)CC2)cc1F 258008399 573366327 /nfs/dbraw/zinc/36/63/27/573366327.db2.gz HBVIPRLXGICAOO-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN CNc1nsnc1Br 238361750 573366349 /nfs/dbraw/zinc/36/63/49/573366349.db2.gz KZLWKSMBHKHCMI-UHFFFAOYSA-N 0 0 194.057 1.342 10 0 ADAERN CCC1(C[C@H](O)c2cn[nH]n2)CCC1 308564810 573366350 /nfs/dbraw/zinc/36/63/50/573366350.db2.gz HEYPTGGSVFXGTP-VIFPVBQESA-N 0 0 195.266 1.809 10 0 ADAERN C[C@@H](O)C[C@@](C)(O)c1ccccc1 117755788 573366351 /nfs/dbraw/zinc/36/63/51/573366351.db2.gz VZPJXQRVUVUITE-MWLCHTKSSA-N 0 0 180.247 1.665 10 0 ADAERN CC[C@@H](C)NC(=O)Cc1ocnc1C 74645397 573366383 /nfs/dbraw/zinc/36/63/83/573366383.db2.gz FZNLTIPKFOFVSU-SSDOTTSWSA-N 0 0 196.250 1.440 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@H]1c1nccn1C 83035497 573366388 /nfs/dbraw/zinc/36/63/88/573366388.db2.gz ARGPVHCIKYTWKY-YIZRAAEISA-N 0 0 180.251 1.295 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@H]1c1cncnc1 83036129 573366403 /nfs/dbraw/zinc/36/64/03/573366403.db2.gz ICMFYLXKNXGKEW-SFGNSQDASA-N 0 0 178.235 1.351 10 0 ADAERN O=c1ccc(C2CCOCC2)n[nH]1 259429388 573366409 /nfs/dbraw/zinc/36/64/09/573366409.db2.gz KFYKREZCRUCBGR-UHFFFAOYSA-N 0 0 180.207 1.076 10 0 ADAERN CN[C@@H](c1ccc(C)cc1)N(C)C 259609609 573366421 /nfs/dbraw/zinc/36/64/21/573366421.db2.gz QTQWPBMAKHVJJI-LLVKDONJSA-N 0 0 178.279 1.775 10 0 ADAERN CCn1ccnc1[C@H]1CC[C@@H](O)[C@@H]1C 83036633 573366438 /nfs/dbraw/zinc/36/64/38/573366438.db2.gz QVZNYEMMTUMZKO-KXUCPTDWSA-N 0 0 194.278 1.777 10 0 ADAERN CO[C@@H]1CC[C@@H]2CC(=O)C[C@@]21C 238362177 573366457 /nfs/dbraw/zinc/36/64/57/573366457.db2.gz 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/nfs/dbraw/zinc/36/65/55/573366555.db2.gz TYKMDEQXPFYPEM-QMMMGPOBSA-N 0 0 161.245 1.199 10 0 ADAERN CCCCc1nccc(NC)n1 86323578 573366568 /nfs/dbraw/zinc/36/65/68/573366568.db2.gz QLLISXAEVBYFHU-UHFFFAOYSA-N 0 0 165.240 1.861 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H]1c1cccnc1N 83036420 573366571 /nfs/dbraw/zinc/36/65/71/573366571.db2.gz HCQKWZKPSGRTTN-NRPADANISA-N 0 0 192.262 1.538 10 0 ADAERN OCCc1ncc(Cl)s1 642815883 573366600 /nfs/dbraw/zinc/36/66/00/573366600.db2.gz SFSWCKKJQDGMSR-UHFFFAOYSA-N 0 0 162.621 1.355 10 0 ADAERN OCCc1cc(Cl)cs1 86334761 573366653 /nfs/dbraw/zinc/36/66/53/573366653.db2.gz DAGMPCHSZPKWEL-UHFFFAOYSA-N 0 0 162.641 1.936 10 0 ADAERN CCSCc1cnc(N)o1 258312799 573366669 /nfs/dbraw/zinc/36/66/69/573366669.db2.gz VXKAAKBZSJVGSD-UHFFFAOYSA-N 0 0 158.226 1.510 10 0 ADAERN C1CCC(NN2CCOCC2)CC1 78158608 573366671 /nfs/dbraw/zinc/36/66/71/573366671.db2.gz UNQWPCJRFXTMJT-UHFFFAOYSA-N 0 0 184.283 1.156 10 0 ADAERN C[C@@]1(CO)CCCCCO1 258492766 573366673 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573366747 /nfs/dbraw/zinc/36/67/47/573366747.db2.gz HEKMIEJOLBCZHV-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN Cc1cnn(C)c1[C@@H](O)C(C)(C)C 642815957 573366749 /nfs/dbraw/zinc/36/67/49/573366749.db2.gz XNXVSIYQOCENLN-SECBINFHSA-N 0 0 181.259 1.402 10 0 ADAERN CCCCCCOCC(=O)NCC 308374123 573370720 /nfs/dbraw/zinc/37/07/20/573370720.db2.gz RKVLTNJFKNXQLV-UHFFFAOYSA-N 0 0 187.283 1.719 10 0 ADAERN CO[C@@H](C)CC[C@H](NN)c1ccco1 133062429 573369952 /nfs/dbraw/zinc/36/99/52/573369952.db2.gz XKRSSVNQGGLWLF-IUCAKERBSA-N 0 0 198.266 1.599 10 0 ADAERN O=C([O-])[C@]1(CCC2CC2)CCC[NH2+]C1 86341350 573369957 /nfs/dbraw/zinc/36/99/57/573369957.db2.gz NTZDERBNZLCDDX-NSHDSACASA-N 0 0 197.278 1.631 10 0 ADAERN O=C([O-])[C@]1(CC2CC2)CCC[NH2+]C1 86341332 573369989 /nfs/dbraw/zinc/36/99/89/573369989.db2.gz LKIINUWPBQHHTQ-JTQLQIEISA-N 0 0 183.251 1.241 10 0 ADAERN CC(C)=CC[C@]1(C(=O)[O-])CC[NH2+]C1 86336922 573369997 /nfs/dbraw/zinc/36/99/97/573369997.db2.gz BSMNAPNCBZFQRN-JTQLQIEISA-N 0 0 183.251 1.407 10 0 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/nfs/dbraw/zinc/38/44/12/573384412.db2.gz PSLQXKVLHHZPLW-UWVGGRQHSA-N 0 0 174.284 1.946 10 0 ADAERN CC(C)(C)[C@H](O)C[C@@H]1CCC[C@@H]1O 86359105 573384413 /nfs/dbraw/zinc/38/44/13/573384413.db2.gz UPMWTQVLFYQYAK-LPEHRKFASA-N 0 0 186.295 1.945 10 0 ADAERN C/C=C\CCNC(=O)N[C@H]1CCOC1 308372496 573384428 /nfs/dbraw/zinc/38/44/28/573384428.db2.gz GAOBAUZRJYSFFN-XADBCAIWSA-N 0 0 198.266 1.041 10 0 ADAERN CC(C)[C@@H](O)C[C@@H]1CCOC1 86359542 573384444 /nfs/dbraw/zinc/38/44/44/573384444.db2.gz DXLJQPIODSTQRT-IUCAKERBSA-N 0 0 158.241 1.430 10 0 ADAERN CC(=O)Cn1c(C)ccc1C 107157518 573385762 /nfs/dbraw/zinc/38/57/62/573385762.db2.gz MGFVXOHQWMIMGI-UHFFFAOYSA-N 0 0 151.209 1.694 10 0 ADAERN C[C@@H](O)CCCC1CC1 86358097 573386429 /nfs/dbraw/zinc/38/64/29/573386429.db2.gz NJDMSHCENRLBFZ-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN COC(=O)C1=C(C)C[C@@H](O)C1(C)C 238376768 573386445 /nfs/dbraw/zinc/38/64/45/573386445.db2.gz RWQSYHXNQRQXIN-SSDOTTSWSA-N 0 0 184.235 1.267 10 0 ADAERN CC[C@@H](C1CCOCC1)[C@@H](C)O 86358302 573386453 /nfs/dbraw/zinc/38/64/53/573386453.db2.gz OFSOUSCTDAHDAP-PSASIEDQSA-N 0 0 172.268 1.820 10 0 ADAERN CCC[C@@H](O)C[C@H]1CCOC1 86358961 573386460 /nfs/dbraw/zinc/38/64/60/573386460.db2.gz FEBPIFCTDGFAID-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN COc1cc(C)cc2c(C=O)[nH]nc12 238377213 573386463 /nfs/dbraw/zinc/38/64/63/573386463.db2.gz BODYLHPSHRCVBT-UHFFFAOYSA-N 0 0 190.202 1.692 10 0 ADAERN C[C@@H](O)CCC1CCC1 86358198 573386479 /nfs/dbraw/zinc/38/64/79/573386479.db2.gz SYMPSRHZLJFQQV-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN CCOCCNOCC(C)C 133174187 573386497 /nfs/dbraw/zinc/38/64/97/573386497.db2.gz IMBDKKGPNNBPPW-UHFFFAOYSA-N 0 0 161.245 1.200 10 0 ADAERN C[C@@H](O)CC[C@@H](O)C(C)(C)C 86359090 573386503 /nfs/dbraw/zinc/38/65/03/573386503.db2.gz JIMUYQOROQISJK-HTQZYQBOSA-N 0 0 160.257 1.554 10 0 ADAERN N[C@@H](CC1CC1)c1nnc(C2CC2)o1 238653999 573386507 /nfs/dbraw/zinc/38/65/07/573386507.db2.gz AXNUHYWEBBXVLB-QMMMGPOBSA-N 0 0 193.250 1.747 10 0 ADAERN CC[C@H](O)CCC(C)(C)O 86359233 573386509 /nfs/dbraw/zinc/38/65/09/573386509.db2.gz WPIMUZQTFDJTFU-ZETCQYMHSA-N 0 0 146.230 1.308 10 0 ADAERN CC[C@@H](O)C[C@H](C)COC 86359340 573386531 /nfs/dbraw/zinc/38/65/31/573386531.db2.gz MKPGWBOSFUNHQC-JGVFFNPUSA-N 0 0 146.230 1.430 10 0 ADAERN O[C@@H]1CCC[C@H]1Cc1cccnc1 86357844 573386536 /nfs/dbraw/zinc/38/65/36/573386536.db2.gz JXNRMWYJXQDKNM-WDEREUQCSA-N 0 0 177.247 1.785 10 0 ADAERN CC(=O)[C@H](C[C@@H](C)O)C(C)C 86356384 573386542 /nfs/dbraw/zinc/38/65/42/573386542.db2.gz GSEZATGKYBCNPC-VXNVDRBHSA-N 0 0 158.241 1.619 10 0 ADAERN COC(=O)c1cc(SC)cc(N)n1 117998516 573385791 /nfs/dbraw/zinc/38/57/91/573385791.db2.gz KPCYIZMRPFAUON-UHFFFAOYSA-N 0 0 198.247 1.172 10 0 ADAERN O[C@@H]1CCC[C@H]1Cc1ncccn1 86357817 573385794 /nfs/dbraw/zinc/38/57/94/573385794.db2.gz PEMBYNJGZBENLJ-DTWKUNHWSA-N 0 0 178.235 1.180 10 0 ADAERN C[C@H](O)CCc1cscn1 86358239 573385797 /nfs/dbraw/zinc/38/57/97/573385797.db2.gz CJZLOOFWDPDOCX-LURJTMIESA-N 0 0 157.238 1.457 10 0 ADAERN C[C@@H](CC(F)F)[C@@H](C)O 86360081 573385804 /nfs/dbraw/zinc/38/58/04/573385804.db2.gz FLOTTWZOLKLPBB-CRCLSJGQSA-N 0 0 138.157 1.659 10 0 ADAERN CCn1cc(OC(F)F)cn1 78203455 573385809 /nfs/dbraw/zinc/38/58/09/573385809.db2.gz HLADTVIWIYQDKF-UHFFFAOYSA-N 0 0 162.139 1.504 10 0 ADAERN O[C@@H]1CCCC[C@H]1Cc1ncccn1 86359830 573385813 /nfs/dbraw/zinc/38/58/13/573385813.db2.gz XHVPGTCHNCWZGS-VHSXEESVSA-N 0 0 192.262 1.570 10 0 ADAERN CCC(=O)[C@@H](C)CC(C)(C)O 86356997 573385819 /nfs/dbraw/zinc/38/58/19/573385819.db2.gz XUKKBTMXOADOTD-ZETCQYMHSA-N 0 0 158.241 1.763 10 0 ADAERN Cc1cccc([C@@H]2COC[C@@H]2O)c1C 687959534 573385849 /nfs/dbraw/zinc/38/58/49/573385849.db2.gz JBCSTOCJBJITPH-RYUDHWBXSA-N 0 0 192.258 1.778 10 0 ADAERN CC[C@@H](CC(C)(C)O)[C@@H](C)O 86358318 573386556 /nfs/dbraw/zinc/38/65/56/573386556.db2.gz XODAUAGJBKFWPK-SFYZADRCSA-N 0 0 160.257 1.554 10 0 ADAERN CCC[C@@H](O)C[C@@H]1CCOC1 86358956 573385861 /nfs/dbraw/zinc/38/58/61/573385861.db2.gz FEBPIFCTDGFAID-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cc(Cl)c(C)[n+]([O-])c1 118053354 573385863 /nfs/dbraw/zinc/38/58/63/573385863.db2.gz RCDPFGXJUJNVCX-UHFFFAOYSA-N 0 0 157.600 1.590 10 0 ADAERN CC[C@@H]([C@@H]1CCOC1)[C@@H](C)O 86358595 573385869 /nfs/dbraw/zinc/38/58/69/573385869.db2.gz DWDSTGKNKYNXKL-IWSPIJDZSA-N 0 0 158.241 1.430 10 0 ADAERN COc1cc(C)c(CON)c(O)c1C 258011560 573386558 /nfs/dbraw/zinc/38/65/58/573386558.db2.gz HMTFXNOFYIUBGC-UHFFFAOYSA-N 0 0 197.234 1.408 10 0 ADAERN Cc1ncc(C(=O)NCCC(C)C)o1 74734009 573385893 /nfs/dbraw/zinc/38/58/93/573385893.db2.gz HJPDMSWWFZRIMP-UHFFFAOYSA-N 0 0 196.250 1.759 10 0 ADAERN C[C@H](O)CC[C@H](O)C(C)(C)C 86359084 573385895 /nfs/dbraw/zinc/38/58/95/573385895.db2.gz JIMUYQOROQISJK-YUMQZZPRSA-N 0 0 160.257 1.554 10 0 ADAERN CCCOCCC(=O)c1cn(C)cn1 308566720 573385902 /nfs/dbraw/zinc/38/59/02/573385902.db2.gz YSLQLDDUTNQZLW-UHFFFAOYSA-N 0 0 196.250 1.420 10 0 ADAERN Clc1nc2c(o1)COCC2 107159315 573385915 /nfs/dbraw/zinc/38/59/15/573385915.db2.gz ILTWYEVWBITKCC-UHFFFAOYSA-N 0 0 159.572 1.401 10 0 ADAERN CCC(C)(C)OCCn1cc[nH]c1=O 308566991 573385917 /nfs/dbraw/zinc/38/59/17/573385917.db2.gz PHIAHSVYHNUCEW-UHFFFAOYSA-N 0 0 198.266 1.382 10 0 ADAERN CC[C@H](O)C[C@H](CC)[C@@H](C)O 86358404 573385927 /nfs/dbraw/zinc/38/59/27/573385927.db2.gz VAQIYFLMCFFTMS-VGMNWLOBSA-N 0 0 160.257 1.554 10 0 ADAERN CCC(=O)[C@H](C)[C@H]1CCOC1 86356835 573385933 /nfs/dbraw/zinc/38/59/33/573385933.db2.gz GILNCEHVVKLAFW-SFYZADRCSA-N 0 0 156.225 1.638 10 0 ADAERN CC(C)(C)NC(=O)N[C@@H]1CCCO1 74753837 573385934 /nfs/dbraw/zinc/38/59/34/573385934.db2.gz YQEAXEADCHUWGQ-ZETCQYMHSA-N 0 0 186.255 1.221 10 0 ADAERN C/C=C\CCNC(=O)N[C@@H]1CCOC1 308372495 573385949 /nfs/dbraw/zinc/38/59/49/573385949.db2.gz GAOBAUZRJYSFFN-PKRMOACSSA-N 0 0 198.266 1.041 10 0 ADAERN Cc1cccc(CC[C@@H](C)O)n1 86358137 573385960 /nfs/dbraw/zinc/38/59/60/573385960.db2.gz PATXGYCUBLFNSE-SECBINFHSA-N 0 0 165.236 1.703 10 0 ADAERN O[C@@H]1CCC[C@H]1C[C@@H]1CCOC1 86357658 573385987 /nfs/dbraw/zinc/38/59/87/573385987.db2.gz ULHSUBPRXUJNHD-LPEHRKFASA-N 0 0 170.252 1.574 10 0 ADAERN Cc1ccc2c(c1C[C@H](C)O)CCO2 258011242 573385992 /nfs/dbraw/zinc/38/59/92/573385992.db2.gz HHUFTSGVYZBKHM-VIFPVBQESA-N 0 0 192.258 1.853 10 0 ADAERN Cc1nonc1C[C@@H]1CCCC[C@H]1O 86359799 573386014 /nfs/dbraw/zinc/38/60/14/573386014.db2.gz ANJDIVILKQFEDW-WCBMZHEXSA-N 0 0 196.250 1.472 10 0 ADAERN CC[C@H]1NCC(=O)N1[C@@H](C)CC1CC1 126162891 573386016 /nfs/dbraw/zinc/38/60/16/573386016.db2.gz YAJCCGKMPDZTAC-WPRPVWTQSA-N 0 0 196.294 1.343 10 0 ADAERN Cc1cccc([C@H](C)ON)c1 259432152 573386035 /nfs/dbraw/zinc/38/60/35/573386035.db2.gz KJUBFHASOLGRCS-QMMMGPOBSA-N 0 0 151.209 1.946 10 0 ADAERN O=C(NC1CCCC1)N[C@@H]1CCCO1 74753666 573386037 /nfs/dbraw/zinc/38/60/37/573386037.db2.gz HTWJHAPSZLULAK-VIFPVBQESA-N 0 0 198.266 1.365 10 0 ADAERN CCC(=O)[C@H](C)[C@@H]1CCC[C@@H]1O 86356909 573386038 /nfs/dbraw/zinc/38/60/38/573386038.db2.gz SYYSIOXQADOSEI-WEDXCCLWSA-N 0 0 170.252 1.763 10 0 ADAERN O=C(C[C@H]1CCCC[C@H]1O)C1CC1 86356721 573386049 /nfs/dbraw/zinc/38/60/49/573386049.db2.gz NMMFRDSQUJICNE-NXEZZACHSA-N 0 0 182.263 1.907 10 0 ADAERN C[C@@]1([C@H]2CCSC2)CNC(=O)O1 258641493 573386063 /nfs/dbraw/zinc/38/60/63/573386063.db2.gz WRYZTTQFSCVZQH-XPUUQOCRSA-N 0 0 187.264 1.238 10 0 ADAERN CC(C)(O)C[C@H]1CCC[C@@H]1O 86357591 573386066 /nfs/dbraw/zinc/38/60/66/573386066.db2.gz NNCNRMZPGNXCHI-SFYZADRCSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@@H](CC1(O)CCCC1)[C@@H](C)O 86360050 573386069 /nfs/dbraw/zinc/38/60/69/573386069.db2.gz RPKSJRGFDSTBKI-DTWKUNHWSA-N 0 0 172.268 1.699 10 0 ADAERN O[C@H]1CCC[C@H]1[C@H]1CCCC[C@H]1O 86357852 573386074 /nfs/dbraw/zinc/38/60/74/573386074.db2.gz QLHUNNAAJZGUMG-YTWAJWBKSA-N 0 0 184.279 1.699 10 0 ADAERN C[C@H](O)[C@H](C)CC(F)F 86360086 573386078 /nfs/dbraw/zinc/38/60/78/573386078.db2.gz FLOTTWZOLKLPBB-UHNVWZDZSA-N 0 0 138.157 1.659 10 0 ADAERN CC(C)(C)[C@H](O)CCCCCO 86359091 573386096 /nfs/dbraw/zinc/38/60/96/573386096.db2.gz OIWMOATVOCSWRO-SECBINFHSA-N 0 0 174.284 1.946 10 0 ADAERN CC(C)[C@H](O)C[C@@H]1CCC[C@@H]1O 86359398 573386100 /nfs/dbraw/zinc/38/61/00/573386100.db2.gz IZJVDFYDMVPVHF-LPEHRKFASA-N 0 0 172.268 1.554 10 0 ADAERN C[C@H](O)CC[C@@H](O)C(F)(F)F 86358146 573386115 /nfs/dbraw/zinc/38/61/15/573386115.db2.gz BXPJDNWOHZMLMW-CRCLSJGQSA-N 0 0 172.146 1.071 10 0 ADAERN CC(C)CNC(=O)N[C@@H]1CCCO1 74753658 573386122 /nfs/dbraw/zinc/38/61/22/573386122.db2.gz JUSGBOVDVVWFTF-QMMMGPOBSA-N 0 0 186.255 1.078 10 0 ADAERN CCC/C=C/C(=O)N(C)[C@@H](C)CO 308372383 573386128 /nfs/dbraw/zinc/38/61/28/573386128.db2.gz QPQCMGSXRKRNOV-UCUJLANTSA-N 0 0 185.267 1.182 10 0 ADAERN C[C@H](O)[C@H](C)CC1(O)CCCC1 86360056 573386139 /nfs/dbraw/zinc/38/61/39/573386139.db2.gz RPKSJRGFDSTBKI-BDAKNGLRSA-N 0 0 172.268 1.699 10 0 ADAERN CCC[C@H](O)C[C@@H]1CCOC1 86358955 573386155 /nfs/dbraw/zinc/38/61/55/573386155.db2.gz FEBPIFCTDGFAID-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)CONCCOC(C)C 133167852 573386156 /nfs/dbraw/zinc/38/61/56/573386156.db2.gz SXZXEPAKVMZVMA-UHFFFAOYSA-N 0 0 175.272 1.589 10 0 ADAERN CC[C@H](O)C[C@H](C)COC 86359339 573386168 /nfs/dbraw/zinc/38/61/68/573386168.db2.gz MKPGWBOSFUNHQC-YUMQZZPRSA-N 0 0 146.230 1.430 10 0 ADAERN CC[C@H](O)C[C@@H]1CCC[C@@H]1O 86357663 573386179 /nfs/dbraw/zinc/38/61/79/573386179.db2.gz ODEUAZHMAQUWSB-CIUDSAMLSA-N 0 0 158.241 1.308 10 0 ADAERN CC(C)CONC[C@H]1CCCO1 133168246 573386181 /nfs/dbraw/zinc/38/61/81/573386181.db2.gz QBSJEGIAYXDZDP-SECBINFHSA-N 0 0 173.256 1.343 10 0 ADAERN CC(C)[C@]1(C)C(=O)CCN1C 107158480 573386187 /nfs/dbraw/zinc/38/61/87/573386187.db2.gz UBMJWKDSLPYNFK-SECBINFHSA-N 0 0 155.241 1.306 10 0 ADAERN O[C@@H]1CCC[C@@H]1C[C@@H]1CCOC1 86357656 573386205 /nfs/dbraw/zinc/38/62/05/573386205.db2.gz ULHSUBPRXUJNHD-IVZWLZJFSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@H](O)C[C@@H](C)COC 86359337 573386216 /nfs/dbraw/zinc/38/62/16/573386216.db2.gz MKPGWBOSFUNHQC-SFYZADRCSA-N 0 0 146.230 1.430 10 0 ADAERN O=C(C[C@@H]1CCC[C@H]1O)C1CC1 86356689 573386224 /nfs/dbraw/zinc/38/62/24/573386224.db2.gz VGIIPYDPIHDZSB-DTWKUNHWSA-N 0 0 168.236 1.517 10 0 ADAERN Cc1cccc(C[C@@H](C)[C@@H](C)O)n1 86360127 573386226 /nfs/dbraw/zinc/38/62/26/573386226.db2.gz WXRGHIYSSQVUFZ-PSASIEDQSA-N 0 0 179.263 1.949 10 0 ADAERN Cc1nc(C=O)cnc1Cl 107158849 573386244 /nfs/dbraw/zinc/38/62/44/573386244.db2.gz CQYKZSVQDWMIIK-UHFFFAOYSA-N 0 0 156.572 1.251 10 0 ADAERN Cc1cccc([C@H]2COC[C@@H]2O)c1C 687959524 573386259 /nfs/dbraw/zinc/38/62/59/573386259.db2.gz JBCSTOCJBJITPH-NEPJUHHUSA-N 0 0 192.258 1.778 10 0 ADAERN O=C(C[C@@H]1CCOC1)C1CC1 86356640 573386266 /nfs/dbraw/zinc/38/62/66/573386266.db2.gz KXQPYGMAUDAGDW-ZETCQYMHSA-N 0 0 154.209 1.392 10 0 ADAERN C[C@H]1CCCN1c1ccc(N)c(N)c1 235579833 573386279 /nfs/dbraw/zinc/38/62/79/573386279.db2.gz DIWJPNSMNHGSBI-QMMMGPOBSA-N 0 0 191.278 1.840 10 0 ADAERN OCCCC[C@H]1CCC[C@@H]1O 86357633 573386287 /nfs/dbraw/zinc/38/62/87/573386287.db2.gz ZRXWZCPMKPQXBU-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN O[C@H]1CCC[C@H]1CC(F)F 86357710 573386291 /nfs/dbraw/zinc/38/62/91/573386291.db2.gz FZSVBMNSNWJMNT-WDSKDSINSA-N 0 0 150.168 1.803 10 0 ADAERN CO[C@@H]([C@H](C)SC)C(C)(C)CO 213054185 573386292 /nfs/dbraw/zinc/38/62/92/573386292.db2.gz WEWCSIYPKRAVET-YUMQZZPRSA-N 0 0 192.324 1.771 10 0 ADAERN OCCC[C@@H]1CCCC[C@H]1O 86359687 573386314 /nfs/dbraw/zinc/38/63/14/573386314.db2.gz PBZREJKPWKGCSH-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1ncc(CC[C@@H](C)O)s1 86358228 573386326 /nfs/dbraw/zinc/38/63/26/573386326.db2.gz GLPPVYKEOQSINC-ZCFIWIBFSA-N 0 0 171.265 1.765 10 0 ADAERN COC1=C[C@@H](CO)CC[C@@H]1C 238376517 573386343 /nfs/dbraw/zinc/38/63/43/573386343.db2.gz VDUACZBBCSSVKR-YUMQZZPRSA-N 0 0 156.225 1.555 10 0 ADAERN C[C@@H](O)[C@H](C)CC1(O)CCCC1 86360052 573386348 /nfs/dbraw/zinc/38/63/48/573386348.db2.gz RPKSJRGFDSTBKI-RKDXNWHRSA-N 0 0 172.268 1.699 10 0 ADAERN C/C=C\CCNC(=O)c1ccncc1 308373875 573386350 /nfs/dbraw/zinc/38/63/50/573386350.db2.gz HYPLSOYNSIUZMK-IHWYPQMZSA-N 0 0 190.246 1.778 10 0 ADAERN CC(=O)[C@]1(F)CCSC1 258641423 573386359 /nfs/dbraw/zinc/38/63/59/573386359.db2.gz YWGOGWDKQFJSEZ-LURJTMIESA-N 0 0 148.202 1.421 10 0 ADAERN COc1cc(OC)c2oncc2c1 238376346 573386364 /nfs/dbraw/zinc/38/63/64/573386364.db2.gz YQBBZYUZNKMPTC-UHFFFAOYSA-N 0 0 179.175 1.845 10 0 ADAERN COc1coc([C@H]([NH3+])C2CC2)c1 238376418 573388941 /nfs/dbraw/zinc/38/89/41/573388941.db2.gz DLPNHHXQRKOLJS-SECBINFHSA-N 0 0 167.208 1.698 10 0 ADAERN CCNCc1nc2cc(C)ccn2n1 259436407 573388946 /nfs/dbraw/zinc/38/89/46/573388946.db2.gz JODIARMUMLSQBZ-UHFFFAOYSA-N 0 0 190.250 1.147 10 0 ADAERN CCc1ncc2n1CCC[C@@H]2[NH3+] 107160796 573388948 /nfs/dbraw/zinc/38/89/48/573388948.db2.gz TWCHGSMSFZNCSR-ZETCQYMHSA-N 0 0 165.240 1.239 10 0 ADAERN OCC[C@@H]1CCOCC1(F)F 258495112 573388950 /nfs/dbraw/zinc/38/89/50/573388950.db2.gz KLTAVQOMDCMSRI-ZCFIWIBFSA-N 0 0 166.167 1.041 10 0 ADAERN CC(C)(O)c1cc(F)c(O)c(F)c1 258011511 573388953 /nfs/dbraw/zinc/38/89/53/573388953.db2.gz HLUDVVXYHAWPTK-UHFFFAOYSA-N 0 0 188.173 1.898 10 0 ADAERN C[C@@H](CO)OC(=O)Nc1ccccc1 238376210 573388956 /nfs/dbraw/zinc/38/89/56/573388956.db2.gz VELRXDUOPHZONE-QMMMGPOBSA-N 0 0 195.218 1.616 10 0 ADAERN C[C@@H]1CCCc2c(C=O)ncn21 107160348 573388964 /nfs/dbraw/zinc/38/89/64/573388964.db2.gz QTIWGSDKBSAUPP-SSDOTTSWSA-N 0 0 164.208 1.593 10 0 ADAERN CC[C@@H](C)c1nc([C@H](N)COC)no1 129786126 573388966 /nfs/dbraw/zinc/38/89/66/573388966.db2.gz ZCAOEITXEGLHSS-RNFRBKRXSA-N 0 0 199.254 1.229 10 0 ADAERN CO[C@]1(C(C)(C)C)C=CC(=O)N1 238377509 573388976 /nfs/dbraw/zinc/38/89/76/573388976.db2.gz IOHGWBDNTLWDHM-VIFPVBQESA-N 0 0 169.224 1.061 10 0 ADAERN CC[C@H](C)c1nc([C@@H](N)COC)no1 129786789 573388989 /nfs/dbraw/zinc/38/89/89/573388989.db2.gz ZCAOEITXEGLHSS-BQBZGAKWSA-N 0 0 199.254 1.229 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCOC2)C1 86361324 573389004 /nfs/dbraw/zinc/38/90/04/573389004.db2.gz YONIRWNYJZTQBC-ZNSHCXBVSA-N 0 0 184.279 1.820 10 0 ADAERN CC(C)[C@H](C[C@H](C)O)[C@@H](C)O 86362651 573389011 /nfs/dbraw/zinc/38/90/11/573389011.db2.gz ASGOEYDWMLHDHG-YIZRAAEISA-N 0 0 160.257 1.410 10 0 ADAERN CC(C)CON[C@@H]1CCO[C@H]1C 133243264 573389025 /nfs/dbraw/zinc/38/90/25/573389025.db2.gz BTBKADUCVDSAFA-DTWKUNHWSA-N 0 0 173.256 1.341 10 0 ADAERN C[C@H]1CCCc2cnc(C=O)n21 107160370 573389030 /nfs/dbraw/zinc/38/90/30/573389030.db2.gz RCZYMSXXDYHPFZ-ZETCQYMHSA-N 0 0 164.208 1.593 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H](CCCO)C1 86361144 573389055 /nfs/dbraw/zinc/38/90/55/573389055.db2.gz UTSHHENRVZSRIV-BBBLOLIVSA-N 0 0 172.268 1.556 10 0 ADAERN COc1cncc(-c2ncc[nH]2)c1 238376170 573389056 /nfs/dbraw/zinc/38/90/56/573389056.db2.gz ZCESRYIDMHFXIK-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN COc1cc(CO)c(O)cc1C 258020075 573389057 /nfs/dbraw/zinc/38/90/57/573389057.db2.gz NXVXNOREZXBNCQ-UHFFFAOYSA-N 0 0 168.192 1.202 10 0 ADAERN C[C@H](O)[C@@H](C)CCC(C)(C)O 86360270 573389088 /nfs/dbraw/zinc/38/90/88/573389088.db2.gz WCGVPGWALKYSHB-YUMQZZPRSA-N 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ADAERN OCc1cnc(-c2cccc(O)c2)o1 258013174 573388625 /nfs/dbraw/zinc/38/86/25/573388625.db2.gz JEKBTFZYEKEYGU-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CC[N@H+](CCC(=O)[O-])[C@@H]1C[C@@H](C)[C@@H]1C 308568266 573388643 /nfs/dbraw/zinc/38/86/43/573388643.db2.gz IXHCVGNYXRTHDL-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN CC(C)[C@@H]1C[C@]1(N)C(F)(F)F 107161430 573388663 /nfs/dbraw/zinc/38/86/63/573388663.db2.gz FIJQXDQPGPRMBP-NTSWFWBYSA-N 0 0 167.174 1.922 10 0 ADAERN Cc1nc(C)n2c1[C@@H]([NH3+])CCC2 107160803 573388690 /nfs/dbraw/zinc/38/86/90/573388690.db2.gz KLRCMPZFAYIHHQ-QMMMGPOBSA-N 0 0 165.240 1.294 10 0 ADAERN COc1ccc2ccoc(=O)c2c1O 238377023 573388715 /nfs/dbraw/zinc/38/87/15/573388715.db2.gz LIRINORNWNNTGT-UHFFFAOYSA-N 0 0 192.170 1.507 10 0 ADAERN COc1nc(Cl)c2ncccc2n1 238377286 573388752 /nfs/dbraw/zinc/38/87/52/573388752.db2.gz WPVUJKIOFORBEM-UHFFFAOYSA-N 0 0 195.609 1.687 10 0 ADAERN CC[C@H]1C(=O)Nc2ccccc2C1=O 214475731 573388753 /nfs/dbraw/zinc/38/87/53/573388753.db2.gz 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/nfs/dbraw/zinc/38/88/28/573388828.db2.gz IANVGVJYZKMSOR-UTLUCORTSA-N 0 0 186.295 1.945 10 0 ADAERN C[C@H]1CCn2c(cnc2C=O)C1 107160384 573388834 /nfs/dbraw/zinc/38/88/34/573388834.db2.gz GQGICWVYLRNQHR-ZETCQYMHSA-N 0 0 164.208 1.278 10 0 ADAERN Cc1cccc(C(C)(CO)CO)c1 86371321 573388835 /nfs/dbraw/zinc/38/88/35/573388835.db2.gz MYVPIWDTTSCDTC-UHFFFAOYSA-N 0 0 180.247 1.237 10 0 ADAERN CC[C@H](O)[C@H](C)[C@@H]1CCCC[C@@H]1O 86363672 573388847 /nfs/dbraw/zinc/38/88/47/573388847.db2.gz JOWWGOAKAVGACW-RCWTZXSCSA-N 0 0 186.295 1.945 10 0 ADAERN COc1ccc2ccnn2c1Cl 238376982 573388858 /nfs/dbraw/zinc/38/88/58/573388858.db2.gz QUSZVEWYICSNJX-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN CC(=O)Cn1ccc(C2CC2)n1 107160395 573388860 /nfs/dbraw/zinc/38/88/60/573388860.db2.gz LHDAEUTZETWJJL-UHFFFAOYSA-N 0 0 164.208 1.350 10 0 ADAERN OCC[C@H]1CCCCC[C@@H]1O 86360396 573388865 /nfs/dbraw/zinc/38/88/65/573388865.db2.gz WEIIDZKGCSHYRX-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN COc1ccc2ccnn2c1C 238376939 573388872 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146.230 1.164 10 0 ADAERN C[C@@H]1C[C@H]1CNCC(=O)OC(C)(C)C 133554967 573406919 /nfs/dbraw/zinc/40/69/19/573406919.db2.gz QDHOJVJPTSQESF-BDAKNGLRSA-N 0 0 199.294 1.574 10 0 ADAERN COc1cccc(NCC[C@@H](C)O)c1 133547828 573406942 /nfs/dbraw/zinc/40/69/42/573406942.db2.gz IRWJXLGAKIOLEZ-SECBINFHSA-N 0 0 195.262 1.878 10 0 ADAERN COC(=O)c1cc(C)c2nccn2c1 238380855 573406946 /nfs/dbraw/zinc/40/69/46/573406946.db2.gz MTJJGEYNACDASB-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN Cn1nc(N)c2c1CCC[C@]2(C)F 257810964 573406956 /nfs/dbraw/zinc/40/69/56/573406956.db2.gz ATVSCEBQNZSDCX-VIFPVBQESA-N 0 0 183.230 1.523 10 0 ADAERN COc1cc2c(cc1F)OCC2=O 238389188 573406960 /nfs/dbraw/zinc/40/69/60/573406960.db2.gz YYIVZCKVTGEIEZ-UHFFFAOYSA-N 0 0 182.150 1.409 10 0 ADAERN CN(C)c1cc(F)ccc1C(=O)CN 259441558 573406962 /nfs/dbraw/zinc/40/69/62/573406962.db2.gz LPPGYWRXWCCNQV-UHFFFAOYSA-N 0 0 196.225 1.033 10 0 ADAERN C[C@H](OC(=O)COC(F)F)C1CC1 308382526 573406982 /nfs/dbraw/zinc/40/69/82/573406982.db2.gz RIWTWQYIBWBEQR-YFKPBYRVSA-N 0 0 194.177 1.567 10 0 ADAERN COc1cc(O)c(C(F)F)[nH]c1=O 238389576 573407021 /nfs/dbraw/zinc/40/70/21/573407021.db2.gz IHLCVZFKZNVQKM-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN CO[C@]1(C)C(=O)[C@@H]2CC=C[C@@H]21 238389055 573406312 /nfs/dbraw/zinc/40/63/12/573406312.db2.gz OTHNFDHOTVKLJV-FJXKBIBVSA-N 0 0 152.193 1.167 10 0 ADAERN CC[C@H](C)[C@H](O)c1cnc(OC)nc1 308576264 573406323 /nfs/dbraw/zinc/40/63/23/573406323.db2.gz HPCNEHFYBLXOTG-CBAPKCEASA-N 0 0 196.250 1.565 10 0 ADAERN NNC[C@H](CO)C1CCCCCC1 257810939 573406327 /nfs/dbraw/zinc/40/63/27/573406327.db2.gz ASOYOIUOLRAKBM-SNVBAGLBSA-N 0 0 186.299 1.029 10 0 ADAERN COC1=Cc2occc2C=C[C@H]1O 238390049 573406357 /nfs/dbraw/zinc/40/63/57/573406357.db2.gz WOOJJSBTNFKJDY-MRVPVSSYSA-N 0 0 178.187 1.655 10 0 ADAERN COc1c(C)cc(C(=O)CN)cc1F 107187418 573406370 /nfs/dbraw/zinc/40/63/70/573406370.db2.gz FSLSMDSNEJQPQQ-UHFFFAOYSA-N 0 0 197.209 1.284 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@H]([NH3+])c1cc[nH]c1 259441093 573406371 /nfs/dbraw/zinc/40/63/71/573406371.db2.gz NPNIXTRTNQSSGD-HTQZYQBOSA-N 0 0 182.223 1.125 10 0 ADAERN COC1=Cc2occc2C=C[C@@H]1O 238390036 573406377 /nfs/dbraw/zinc/40/63/77/573406377.db2.gz WOOJJSBTNFKJDY-QMMMGPOBSA-N 0 0 178.187 1.655 10 0 ADAERN Cc1ccc([C@H]2COC[C@H]2O)cc1C 687960100 573406394 /nfs/dbraw/zinc/40/63/94/573406394.db2.gz KJRLIAUKYMYWLW-VXGBXAGGSA-N 0 0 192.258 1.778 10 0 ADAERN Cc1c(N)c(O)c2c(c1N)CCCN2 118490251 573406404 /nfs/dbraw/zinc/40/64/04/573406404.db2.gz ZRMLLJWZNBUOIT-UHFFFAOYSA-N 0 0 193.250 1.223 10 0 ADAERN COC(=O)c1cc2c(cn1)OC[C@H]2C 238389220 573406433 /nfs/dbraw/zinc/40/64/33/573406433.db2.gz AIEFVSKZRNFBHK-ZCFIWIBFSA-N 0 0 193.202 1.364 10 0 ADAERN COCCCNc1cc(F)ccn1 308382673 573406442 /nfs/dbraw/zinc/40/64/42/573406442.db2.gz VGEWKUXFIUHZMM-UHFFFAOYSA-N 0 0 184.214 1.669 10 0 ADAERN C[C@H]1CNc2c(N)cc(N)cc21 118501002 573406448 /nfs/dbraw/zinc/40/64/48/573406448.db2.gz MZBDVAUDLQJIOQ-YFKPBYRVSA-N 0 0 163.224 1.380 10 0 ADAERN COC(=O)[C@@H](F)[C@H]1CCSC1 257810476 573406461 /nfs/dbraw/zinc/40/64/61/573406461.db2.gz ALHIQDXPDUPJTJ-WDSKDSINSA-N 0 0 178.228 1.251 10 0 ADAERN CCC1(C(=O)NC(C)(C)[C@@H](C)O)CC1 308576750 573406462 /nfs/dbraw/zinc/40/64/62/573406462.db2.gz DTTCBRZUCJDECM-MRVPVSSYSA-N 0 0 199.294 1.452 10 0 ADAERN COC1=Cc2ccoc2C=C[C@H]1O 238389990 573406508 /nfs/dbraw/zinc/40/65/08/573406508.db2.gz BBTNUSTVZQDGEE-MRVPVSSYSA-N 0 0 178.187 1.655 10 0 ADAERN COc1cc([C@@H]2CCC(=O)C2)ccn1 238380653 573406519 /nfs/dbraw/zinc/40/65/19/573406519.db2.gz MNCKZXIVKCMGCB-MRVPVSSYSA-N 0 0 191.230 1.927 10 0 ADAERN COC(=O)/C=C\[C@@H]1CCCC[C@@H]1CO 308576786 573406522 /nfs/dbraw/zinc/40/65/22/573406522.db2.gz HVHZULZPKICTEB-SMWNKPDJSA-N 0 0 198.262 1.514 10 0 ADAERN O=Cc1nc(C[C@@H]2CCSC2)no1 258020320 573406529 /nfs/dbraw/zinc/40/65/29/573406529.db2.gz NKKBNJIWRVNPJY-LURJTMIESA-N 0 0 198.247 1.178 10 0 ADAERN CCOC(=O)C(C)(C)N(C)CCF 308382651 573406531 /nfs/dbraw/zinc/40/65/31/573406531.db2.gz VFGWNOHAVXQJEM-UHFFFAOYSA-N 0 0 191.246 1.229 10 0 ADAERN COC1=Cc2cocc2C=C[C@H]1O 238390022 573406535 /nfs/dbraw/zinc/40/65/35/573406535.db2.gz LNRCXTFMCJWMMR-SECBINFHSA-N 0 0 178.187 1.655 10 0 ADAERN c1nscc1OCC1CCOCC1 258646776 573406558 /nfs/dbraw/zinc/40/65/58/573406558.db2.gz SCEONOVBDSXPHR-UHFFFAOYSA-N 0 0 199.275 1.949 10 0 ADAERN CC/C=C(\C)C(=O)NC(C)(C)[C@@H](C)O 308380280 573406563 /nfs/dbraw/zinc/40/65/63/573406563.db2.gz PFTIEHCKUUZXPG-FCZSHJHJSA-N 0 0 199.294 1.618 10 0 ADAERN CN1CCC(=O)[C@H]1c1ccccc1F 107180650 573406607 /nfs/dbraw/zinc/40/66/07/573406607.db2.gz JSKBHJYFAFBYDL-LLVKDONJSA-N 0 0 193.221 1.771 10 0 ADAERN C[C@@H](O)c1ccc([Si](C)(C)C)o1 238388900 573406609 /nfs/dbraw/zinc/40/66/09/573406609.db2.gz FTNCVTVXINNGPE-SSDOTTSWSA-N 0 0 184.311 1.878 10 0 ADAERN O=C1CCN[C@H]1c1ccccc1Cl 107186177 573406613 /nfs/dbraw/zinc/40/66/13/573406613.db2.gz PRXMIVUUEOALKS-JTQLQIEISA-N 0 0 195.649 1.944 10 0 ADAERN C[C@@H]1C(=O)CC(C)(C)[NH2+]C1(C)C 238389144 573406614 /nfs/dbraw/zinc/40/66/14/573406614.db2.gz JFFPLONSTKOHBF-SSDOTTSWSA-N 0 0 169.268 1.742 10 0 ADAERN Nc1nc2c(s1)CCC[C@H]2O 83117272 573406623 /nfs/dbraw/zinc/40/66/23/573406623.db2.gz JRUBJRUQFFSUMH-SCSAIBSYSA-N 0 0 170.237 1.095 10 0 ADAERN COC1=N[C@H](C(C)(C)C)N[C@@H]1C 238380655 573406642 /nfs/dbraw/zinc/40/66/42/573406642.db2.gz KNLAXUFTKFPSQX-HTRCEHHLSA-N 0 0 170.256 1.395 10 0 ADAERN C[C@@H]1C(=O)CC[C@@]1(C)CCO 238389910 573406665 /nfs/dbraw/zinc/40/66/65/573406665.db2.gz HJXZUOMPDINXPY-APPZFPTMSA-N 0 0 156.225 1.374 10 0 ADAERN COc1cc2c(cc1F)COC2=O 238389524 573406703 /nfs/dbraw/zinc/40/67/03/573406703.db2.gz SWQIXHNDLUVYKU-UHFFFAOYSA-N 0 0 182.150 1.505 10 0 ADAERN C[C@]1(c2ccc(F)cc2)NCCC1=O 107180657 573406718 /nfs/dbraw/zinc/40/67/18/573406718.db2.gz YGJXXJKLHHUULZ-LLVKDONJSA-N 0 0 193.221 1.603 10 0 ADAERN C/C=C\COC(=O)[C@@H](C)CCOC 308382698 573406728 /nfs/dbraw/zinc/40/67/28/573406728.db2.gz VINIFWOUNOPFFH-WBSSQXGSSA-N 0 0 186.251 1.778 10 0 ADAERN COc1cc2c(cc1F)CCOC2=O 238389401 573406752 /nfs/dbraw/zinc/40/67/52/573406752.db2.gz LFMRFBGHOATVHR-UHFFFAOYSA-N 0 0 196.177 1.547 10 0 ADAERN CCOC(=O)/C(C)=C/C=C\C[C@@H](C)O 308576008 573406766 /nfs/dbraw/zinc/40/67/66/573406766.db2.gz HHMUQFGOBQMGAN-GYGBUAPTSA-N 0 0 198.262 1.823 10 0 ADAERN COc1cc(O)c(C(F)F)nc1F 238389487 573406767 /nfs/dbraw/zinc/40/67/67/573406767.db2.gz CIXRFLKVAKVEDO-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CCc1c(N[C@@H](C)COC)cnn1C 308575693 573406776 /nfs/dbraw/zinc/40/67/76/573406776.db2.gz DIIZRGNDSXBPGG-QMMMGPOBSA-N 0 0 197.282 1.429 10 0 ADAERN CC(C)=C[C@H]1C/C(=C/CO)C(=O)O1 214518884 573406815 /nfs/dbraw/zinc/40/68/15/573406815.db2.gz SXYHALNTSFCZBS-CHDHTGKKSA-N 0 0 182.219 1.187 10 0 ADAERN Cc1ccc(C(N)=S)cc1N 83119192 573406827 /nfs/dbraw/zinc/40/68/27/573406827.db2.gz JXLQXCOTAYIBIX-UHFFFAOYSA-N 0 0 166.249 1.211 10 0 ADAERN CC1(C)OC[C@@H](C/C=C/C=C/CO)O1 308575296 573406831 /nfs/dbraw/zinc/40/68/31/573406831.db2.gz HDPQFYKXZJHWOD-JSRXNJTLSA-N 0 0 198.262 1.633 10 0 ADAERN CCc1c(N[C@H](C)COC)cnn1C 308575691 573406845 /nfs/dbraw/zinc/40/68/45/573406845.db2.gz DIIZRGNDSXBPGG-MRVPVSSYSA-N 0 0 197.282 1.429 10 0 ADAERN C[C@@H]1CNc2c(N)cc(N)cc21 118500999 573406848 /nfs/dbraw/zinc/40/68/48/573406848.db2.gz MZBDVAUDLQJIOQ-RXMQYKEDSA-N 0 0 163.224 1.380 10 0 ADAERN CCSc1cc2nc(CC)nn2[nH]1 118503248 573406869 /nfs/dbraw/zinc/40/68/69/573406869.db2.gz IMHVZYGOFINHSL-UHFFFAOYSA-N 0 0 196.279 1.732 10 0 ADAERN COc1cc2c(cc1O)CCOC2=O 238389448 573406872 /nfs/dbraw/zinc/40/68/72/573406872.db2.gz AGGDKAKRCLDUSM-UHFFFAOYSA-N 0 0 194.186 1.114 10 0 ADAERN N#CNc1cccc2c1OC(F)(F)O2 118576207 573406899 /nfs/dbraw/zinc/40/68/99/573406899.db2.gz FVUZGBAXBFZCEF-UHFFFAOYSA-N 0 0 198.128 1.901 10 0 ADAERN COC[C@@H]1C(=O)[C@H]2CC[C@@H]1C2 238389846 573406902 /nfs/dbraw/zinc/40/69/02/573406902.db2.gz SNTJSKPJXIVZSG-CSMHCCOUSA-N 0 0 154.209 1.248 10 0 ADAERN CC(C)NCc1nc(C2CCC2)no1 83120065 573413108 /nfs/dbraw/zinc/41/31/08/573413108.db2.gz JKNBDHVZBZJJQV-UHFFFAOYSA-N 0 0 195.266 1.835 10 0 ADAERN O[C@@H](C1CCC1)[C@H]1CCOC1 83120633 573412413 /nfs/dbraw/zinc/41/24/13/573412413.db2.gz TXONFVLSLLVDAO-IUCAKERBSA-N 0 0 156.225 1.184 10 0 ADAERN CCCNC(=O)N1CCCO[C@H]1C 74905213 573412423 /nfs/dbraw/zinc/41/24/23/573412423.db2.gz VSXLXFSSKCRAPX-QMMMGPOBSA-N 0 0 186.255 1.174 10 0 ADAERN CCCc1cnc(NC#N)nc1 259443348 573412438 /nfs/dbraw/zinc/41/24/38/573412438.db2.gz YPYSJUSKMFGDRK-UHFFFAOYSA-N 0 0 162.196 1.322 10 0 ADAERN Cc1cc(F)cc2c1NC(=O)C2 83119833 573412452 /nfs/dbraw/zinc/41/24/52/573412452.db2.gz CCYIGQBTBCFUCE-UHFFFAOYSA-N 0 0 165.167 1.629 10 0 ADAERN CSc1ccc2nnsc2c1N 238382254 573412453 /nfs/dbraw/zinc/41/24/53/573412453.db2.gz WXPOGTLZRWBQMQ-UHFFFAOYSA-N 0 0 197.288 1.995 10 0 ADAERN C[C@H]1OCCN1C(=O)NC(C)(C)C 74905249 573412460 /nfs/dbraw/zinc/41/24/60/573412460.db2.gz WDVBWIYRLXSHOC-SSDOTTSWSA-N 0 0 186.255 1.173 10 0 ADAERN CCCCC[N@@H+]1CC/C(=C/C(=O)[O-])C1 259102111 573412462 /nfs/dbraw/zinc/41/24/62/573412462.db2.gz FNMFHWIGYHKELH-NTMALXAHSA-N 0 0 197.278 1.893 10 0 ADAERN C[C@@H](O)/C=C/c1ccc(CO)cc1 238381134 573412465 /nfs/dbraw/zinc/41/24/65/573412465.db2.gz BRYCNUQUKHWTTD-GKQMSVHHSA-N 0 0 178.231 1.573 10 0 ADAERN Cc1c(O)nc(C2CCC2)[nH]c1=O 83120196 573412488 /nfs/dbraw/zinc/41/24/88/573412488.db2.gz DZTKSHIHUJZWSC-UHFFFAOYSA-N 0 0 180.207 1.051 10 0 ADAERN CCCNC(=O)N(C)c1nccs1 74903521 573412494 /nfs/dbraw/zinc/41/24/94/573412494.db2.gz PGZNXCJIMCBLAS-UHFFFAOYSA-N 0 0 199.279 1.699 10 0 ADAERN C[C@@H]1OCCN1C(=O)NC(C)(C)C 74905250 573412513 /nfs/dbraw/zinc/41/25/13/573412513.db2.gz WDVBWIYRLXSHOC-ZETCQYMHSA-N 0 0 186.255 1.173 10 0 ADAERN C[C@@H]1OCCN1C(=O)NC1CCCC1 74905252 573412520 /nfs/dbraw/zinc/41/25/20/573412520.db2.gz NEZJTXRLVRNERJ-QMMMGPOBSA-N 0 0 198.266 1.317 10 0 ADAERN CCCNC(=O)N(C)C1CC1 74903807 573412551 /nfs/dbraw/zinc/41/25/51/573412551.db2.gz IRPUOAIURGVMJG-UHFFFAOYSA-N 0 0 156.229 1.200 10 0 ADAERN Cc1ccc([C@@H](C)CO)cc1O 238382198 573412555 /nfs/dbraw/zinc/41/25/55/573412555.db2.gz VHOPRFFVGRPDLW-QMMMGPOBSA-N 0 0 166.220 1.796 10 0 ADAERN CCn1ccnc1[C@H](O)C1CCC1 83120686 573412557 /nfs/dbraw/zinc/41/25/57/573412557.db2.gz IOEDFXYHNTWXPA-SECBINFHSA-N 0 0 180.251 1.737 10 0 ADAERN COC[C@H](O)c1cc2ccccc2[nH]1 238381380 573412561 /nfs/dbraw/zinc/41/25/61/573412561.db2.gz HUGQUKPIXGHOKM-NSHDSACASA-N 0 0 191.230 1.848 10 0 ADAERN COc1ccc(OC)c(CON)c1C 258019014 573412573 /nfs/dbraw/zinc/41/25/73/573412573.db2.gz HYLUHMAEZJKGPO-UHFFFAOYSA-N 0 0 197.234 1.403 10 0 ADAERN CCOC[C@H](O)c1ccncc1F 133536767 573412582 /nfs/dbraw/zinc/41/25/82/573412582.db2.gz CSVBENPRMIHFDB-VIFPVBQESA-N 0 0 185.198 1.291 10 0 ADAERN CCOC(=O)CNC1[C@@H](C)CC[C@@H]1C 308577579 573412588 /nfs/dbraw/zinc/41/25/88/573412588.db2.gz FCCQUYGVUXPWJC-IUCAKERBSA-N 0 0 199.294 1.574 10 0 ADAERN COc1cc(N)cnc1C(F)F 238382736 573412598 /nfs/dbraw/zinc/41/25/98/573412598.db2.gz LCDXJULHFHXMBB-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN CC(=O)CNC(=O)c1ccccc1F 83119892 573412641 /nfs/dbraw/zinc/41/26/41/573412641.db2.gz RINFEBOVPVAUTR-UHFFFAOYSA-N 0 0 195.193 1.145 10 0 ADAERN Cc1nc2ccccc(=O)c2[nH]1 78273233 573412644 /nfs/dbraw/zinc/41/26/44/573412644.db2.gz ACEGGKLQFQILEP-UHFFFAOYSA-N 0 0 160.176 1.232 10 0 ADAERN CS(=O)(=O)C=CNc1ccccc1 238382714 573412651 /nfs/dbraw/zinc/41/26/51/573412651.db2.gz NBQOTRQVZMPYQH-BQYQJAHWSA-N 0 0 197.259 1.614 10 0 ADAERN O=C1Cc2cc(Cl)cc(F)c2N1 83119871 573412662 /nfs/dbraw/zinc/41/26/62/573412662.db2.gz MWOCRRUFVCUOEJ-UHFFFAOYSA-N 0 0 185.585 1.974 10 0 ADAERN C[C@H](C#N)C(=O)c1ccc(C#N)cc1 118596279 573412663 /nfs/dbraw/zinc/41/26/63/573412663.db2.gz LHYWTMKETGOWNE-MRVPVSSYSA-N 0 0 184.198 1.901 10 0 ADAERN CN(c1nnns1)C1CCCCC1 259102094 573412703 /nfs/dbraw/zinc/41/27/03/573412703.db2.gz SEMCZXQXDJEORT-UHFFFAOYSA-N 0 0 198.295 1.702 10 0 ADAERN O=C(c1cncnc1)C1CCC1 83120261 573412714 /nfs/dbraw/zinc/41/27/14/573412714.db2.gz UBENUAOXCDBHRX-UHFFFAOYSA-N 0 0 162.192 1.459 10 0 ADAERN O[C@H](c1cncnc1)C1CCC1 83120760 573412733 /nfs/dbraw/zinc/41/27/33/573412733.db2.gz DJBOVCLBBHURCE-VIFPVBQESA-N 0 0 164.208 1.310 10 0 ADAERN COC1C(C)(C)C(=O)C1(C)C 238381358 573412769 /nfs/dbraw/zinc/41/27/69/573412769.db2.gz BHALFEGPLBKGCD-UHFFFAOYSA-N 0 0 156.225 1.637 10 0 ADAERN CC1(C)CN[C@H](c2ccccn2)OC1 258647581 573412778 /nfs/dbraw/zinc/41/27/78/573412778.db2.gz SEWLBBIXWZXQQV-JTQLQIEISA-N 0 0 192.262 1.726 10 0 ADAERN Cc1cnc(N)c([C@@H](O)C2CCC2)c1 83120911 573412794 /nfs/dbraw/zinc/41/27/94/573412794.db2.gz IQNHRBOIBQYRFL-JTQLQIEISA-N 0 0 192.262 1.806 10 0 ADAERN COC[C@H](C)C(=O)OC1CCCC1 308385598 573412844 /nfs/dbraw/zinc/41/28/44/573412844.db2.gz WSTHSDNQHQQSDC-QMMMGPOBSA-N 0 0 186.251 1.755 10 0 ADAERN O[C@@H](C1CCC1)C1CCOCC1 83120625 573412857 /nfs/dbraw/zinc/41/28/57/573412857.db2.gz DQWRONAKGYZTLK-JTQLQIEISA-N 0 0 170.252 1.574 10 0 ADAERN CCOc1cccc(CNC=O)c1 83119914 573412894 /nfs/dbraw/zinc/41/28/94/573412894.db2.gz CSRHZFAVLLPEHF-UHFFFAOYSA-N 0 0 179.219 1.331 10 0 ADAERN COCCOC(=O)C[C@H]1C=CCC1 308385314 573412927 /nfs/dbraw/zinc/41/29/27/573412927.db2.gz WOXKPMOBRTZXEF-VIFPVBQESA-N 0 0 184.235 1.532 10 0 ADAERN CCOCCNc1noc(C2CC2)n1 308577153 573412929 /nfs/dbraw/zinc/41/29/29/573412929.db2.gz DXEVMSYGOIEWDU-UHFFFAOYSA-N 0 0 197.238 1.395 10 0 ADAERN CC(C)[C@H](C)[C@@H](NN)c1ccnn1C 133578710 573412932 /nfs/dbraw/zinc/41/29/32/573412932.db2.gz HFVCWFKNFRRSJJ-WCBMZHEXSA-N 0 0 196.298 1.217 10 0 ADAERN CC/C=C(\C)C[N@@H+]1CCC[C@H]1C(=O)[O-] 308385804 573412936 /nfs/dbraw/zinc/41/29/36/573412936.db2.gz DILHQMUPAGDRCV-CYNRKNSPSA-N 0 0 197.278 1.892 10 0 ADAERN NC(=S)[C@H]1Cc2ccccc21 83119982 573412941 /nfs/dbraw/zinc/41/29/41/573412941.db2.gz LCQNXQJCUJWBET-QMMMGPOBSA-N 0 0 163.245 1.612 10 0 ADAERN CC(C)[NH2+]Cc1cc(C(=O)[O-])ccn1 129888253 573412957 /nfs/dbraw/zinc/41/29/57/573412957.db2.gz IPNYWHCZBOBBJE-UHFFFAOYSA-N 0 0 194.234 1.278 10 0 ADAERN CCCNC(=O)NCc1coc(C)n1 74902697 573412976 /nfs/dbraw/zinc/41/29/76/573412976.db2.gz RPXXNEOJXPNNMQ-UHFFFAOYSA-N 0 0 197.238 1.192 10 0 ADAERN 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238383480 573416510 /nfs/dbraw/zinc/41/65/10/573416510.db2.gz DQYGXTKUZLXUIG-UHFFFAOYSA-N 0 0 180.207 1.357 10 0 ADAERN CO[C@@H](CO)c1ccc2c(c1)OCO2 238383827 573416535 /nfs/dbraw/zinc/41/65/35/573416535.db2.gz AUUSJZKVLVNYSO-JTQLQIEISA-N 0 0 196.202 1.095 10 0 ADAERN COc1c(CO)c(C)cc(C)c1CO 238384839 573416542 /nfs/dbraw/zinc/41/65/42/573416542.db2.gz HIWQYCMAIXHTES-UHFFFAOYSA-N 0 0 196.246 1.297 10 0 ADAERN CC[C@H](CO)[C@H](O)C(C)C 118590257 573416546 /nfs/dbraw/zinc/41/65/46/573416546.db2.gz IZUABMDVMAFWOP-HTQZYQBOSA-N 0 0 146.230 1.022 10 0 ADAERN Cc1cnc2ccc(F)c(N)c2n1 259442876 573416553 /nfs/dbraw/zinc/41/65/53/573416553.db2.gz LJRCJXCFQHQVSE-UHFFFAOYSA-N 0 0 177.182 1.660 10 0 ADAERN COC(=O)C[C@](C)(CO)C1CCC1 257810728 573416562 /nfs/dbraw/zinc/41/65/62/573416562.db2.gz AQVJNPIAYMEOBJ-SNVBAGLBSA-N 0 0 186.251 1.348 10 0 ADAERN C[C@]1([C@@H]2CCSC2)CNC(=O)C1 257811168 573416569 /nfs/dbraw/zinc/41/65/69/573416569.db2.gz AXRUMZBWKYATJZ-VXNVDRBHSA-N 0 0 185.292 1.266 10 0 ADAERN CC(=O)N1CCC[C@H]1c1nccs1 74909116 573416589 /nfs/dbraw/zinc/41/65/89/573416589.db2.gz BMVKGNCCVMIRIK-QMMMGPOBSA-N 0 0 196.275 1.827 10 0 ADAERN COC(=O)c1ccc(C)c2cnoc12 238384855 573416592 /nfs/dbraw/zinc/41/65/92/573416592.db2.gz QEKNVTAMMSCKOQ-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN COc1cncc(CC(C)(C)O)c1 259442742 573416614 /nfs/dbraw/zinc/41/66/14/573416614.db2.gz UVVKFDZOAYLYHM-UHFFFAOYSA-N 0 0 181.235 1.404 10 0 ADAERN COCCC(=O)CCOCC(F)F 686243520 573416659 /nfs/dbraw/zinc/41/66/59/573416659.db2.gz UTEZYAMFTBDIBQ-UHFFFAOYSA-N 0 0 196.193 1.264 10 0 ADAERN COC(=O)Cc1c[nH]c2cccnc12 238383461 573416674 /nfs/dbraw/zinc/41/66/74/573416674.db2.gz MYUCETRAUBWCEH-UHFFFAOYSA-N 0 0 190.202 1.278 10 0 ADAERN COC[C@H]1CC[C@@H](C)CC1=O 238384366 573416710 /nfs/dbraw/zinc/41/67/10/573416710.db2.gz LNDGPIPBDJRIBA-HTQZYQBOSA-N 0 0 156.225 1.638 10 0 ADAERN CCOC(=O)N=C(N)CCCOC 308388140 573416719 /nfs/dbraw/zinc/41/67/19/573416719.db2.gz YFMRNNBMZXPESM-UHFFFAOYSA-N 0 0 188.227 1.136 10 0 ADAERN CC[C@@H]1C(=O)CCN1C1CC1 107219422 573416725 /nfs/dbraw/zinc/41/67/25/573416725.db2.gz POFQGYZHPWQOLF-MRVPVSSYSA-N 0 0 153.225 1.202 10 0 ADAERN COC[C@H]1CC[C@H](C)CC1=O 238384574 573416731 /nfs/dbraw/zinc/41/67/31/573416731.db2.gz LNDGPIPBDJRIBA-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN CC(C)[C@H](C)[C@H](NN)c1ccnn1C 133578323 573416748 /nfs/dbraw/zinc/41/67/48/573416748.db2.gz HFVCWFKNFRRSJJ-WPRPVWTQSA-N 0 0 196.298 1.217 10 0 ADAERN CCCC[C@H]1C(=O)CC[C@H]1C(=O)OC 33506347 573416755 /nfs/dbraw/zinc/41/67/55/573416755.db2.gz ICIZBTGTSKEFDG-RKDXNWHRSA-N 0 0 198.262 1.945 10 0 ADAERN [NH3+]Cc1nc(Cl)n2ccccc12 258338245 573416764 /nfs/dbraw/zinc/41/67/64/573416764.db2.gz QGVGKVICDKCFTG-UHFFFAOYSA-N 0 0 181.626 1.446 10 0 ADAERN Nc1nc(C2CCC2)nc2c1CCC2 83123634 573416777 /nfs/dbraw/zinc/41/67/77/573416777.db2.gz ILSMXOBJUZRUCG-UHFFFAOYSA-N 0 0 189.262 1.815 10 0 ADAERN ONCc1cccc(CC2(O)CC2)c1 259443546 573416779 /nfs/dbraw/zinc/41/67/79/573416779.db2.gz LUZTZMMPXFUMHS-UHFFFAOYSA-N 0 0 193.246 1.233 10 0 ADAERN C[C@]1(c2ccccc2)CCCNC1=O 118607302 573416808 /nfs/dbraw/zinc/41/68/08/573416808.db2.gz HKJOWXJWPIXUBS-GFCCVEGCSA-N 0 0 189.258 1.854 10 0 ADAERN COC(=O)c1cc(F)c2ccnn2c1 238383900 573416839 /nfs/dbraw/zinc/41/68/39/573416839.db2.gz FKIKJOYEIXSCGZ-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN CC1(C)C[NH2+][C@](C)([C@@H]2CCCCO2)O1 258335951 573416840 /nfs/dbraw/zinc/41/68/40/573416840.db2.gz DWSKQAGLNZGMKH-ONGXEEELSA-N 0 0 199.294 1.670 10 0 ADAERN COc1ccc(N)c2c1OCOC2 238384686 573416878 /nfs/dbraw/zinc/41/68/78/573416878.db2.gz XOHSNQWPBUFUDT-UHFFFAOYSA-N 0 0 181.191 1.144 10 0 ADAERN C[C@]1([C@H]2CCSC2)CNC(=O)C1 257811167 573416886 /nfs/dbraw/zinc/41/68/86/573416886.db2.gz AXRUMZBWKYATJZ-IONNQARKSA-N 0 0 185.292 1.266 10 0 ADAERN CC(C)C[C@@]([NH3+])(C(=O)[O-])[C@@H](C)F 257811180 573416893 /nfs/dbraw/zinc/41/68/93/573416893.db2.gz AYJGTJWAIYGIAP-SVRRBLITSA-N 0 0 177.219 1.173 10 0 ADAERN COC(=O)CC[C@H]1CCC[C@H]1O 257810688 573416907 /nfs/dbraw/zinc/41/69/07/573416907.db2.gz APFYAIDMNIKBRI-HTQZYQBOSA-N 0 0 172.224 1.101 10 0 ADAERN CNC(=O)C=C(C)Nc1ccccc1 308387276 573416942 /nfs/dbraw/zinc/41/69/42/573416942.db2.gz FMOHZGFFULESJX-CMDGGOBGSA-N 0 0 190.246 1.748 10 0 ADAERN CCCCC[C@@H]1N=C(NCC)NC1=O 133573453 573416943 /nfs/dbraw/zinc/41/69/43/573416943.db2.gz NZQFQMUCOJOOEN-QMMMGPOBSA-N 0 0 197.282 1.031 10 0 ADAERN c1nscc1OC[C@H]1CCOC1 258335927 573416967 /nfs/dbraw/zinc/41/69/67/573416967.db2.gz DVXCVOXSTGZKKR-ZETCQYMHSA-N 0 0 185.248 1.558 10 0 ADAERN COC(=O)c1cc(F)c2cc[nH]c2n1 238383848 573416998 /nfs/dbraw/zinc/41/69/98/573416998.db2.gz OYMAWDNUDDDWHW-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN COc1cc(N)nc(SC(C)C)n1 238384255 573417014 /nfs/dbraw/zinc/41/70/14/573417014.db2.gz ZFBJGXZPQCOIGK-UHFFFAOYSA-N 0 0 199.279 1.568 10 0 ADAERN CC(C)(O)c1ccc2c(c1F)OCO2 258019056 573417017 /nfs/dbraw/zinc/41/70/17/573417017.db2.gz HZFHFKGXIGVKIK-UHFFFAOYSA-N 0 0 198.193 1.782 10 0 ADAERN CO[C@@]1(Cl)CCCC[C@H]1O 238383198 573417027 /nfs/dbraw/zinc/41/70/27/573417027.db2.gz NLFGQEQSJRJWKK-RQJHMYQMSA-N 0 0 164.632 1.503 10 0 ADAERN COc1cc(C)cn2cncc12 238382939 573417035 /nfs/dbraw/zinc/41/70/35/573417035.db2.gz FEELJGVOLNJQFS-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN CC[C@H]([NH3+])c1ccc(N)cc1C(=O)[O-] 211751964 573419138 /nfs/dbraw/zinc/41/91/38/573419138.db2.gz JWAMDOXPMQCDSJ-VIFPVBQESA-N 0 0 194.234 1.377 10 0 ADAERN CCOc1cc(CO)ccc1C 118710620 573419145 /nfs/dbraw/zinc/41/91/45/573419145.db2.gz BMKXBXGQRXZFSA-UHFFFAOYSA-N 0 0 166.220 1.886 10 0 ADAERN COC[C@H]1CCCC[C@@H]1NC(C)=O 238383084 573419150 /nfs/dbraw/zinc/41/91/50/573419150.db2.gz SKWNIBCMENLIJX-ZJUUUORDSA-N 0 0 185.267 1.328 10 0 ADAERN [NH3+]CC1=N[C@@H](C2CCCCC2)CO1 258337014 573419163 /nfs/dbraw/zinc/41/91/63/573419163.db2.gz VDWKCWBPDXMMQL-SECBINFHSA-N 0 0 182.267 1.323 10 0 ADAERN COC(=O)c1cc(F)c2cncn2c1 238383967 573419195 /nfs/dbraw/zinc/41/91/95/573419195.db2.gz LEUSCXHWGQEBBL-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN 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197.278 1.629 10 0 ADAERN COc1ccnc(C(F)F)c1N 238383072 573419475 /nfs/dbraw/zinc/41/94/75/573419475.db2.gz BQGVLRHRTFMSEQ-UHFFFAOYSA-N 0 0 174.150 1.610 10 0 ADAERN Cc1ccc(C)n1NCC[C@@H](C)O 133669032 573419519 /nfs/dbraw/zinc/41/95/19/573419519.db2.gz UCKMIZWCWBXDOQ-SNVBAGLBSA-N 0 0 182.267 1.419 10 0 ADAERN Cn1c(CON)cc2cc(O)ccc21 258337252 573419520 /nfs/dbraw/zinc/41/95/20/573419520.db2.gz XOVXKESNUTWPCL-UHFFFAOYSA-N 0 0 192.218 1.274 10 0 ADAERN CS[C@@H](C)C[C@@H]1CNC(=O)C1 238383767 573419521 /nfs/dbraw/zinc/41/95/21/573419521.db2.gz KWASDPUGALVMBH-BQBZGAKWSA-N 0 0 173.281 1.264 10 0 ADAERN Nc1cc([C@H]2CCOC2)cnc1Cl 258019131 573419536 /nfs/dbraw/zinc/41/95/36/573419536.db2.gz HWQQRMQPWKNRHU-LURJTMIESA-N 0 0 198.653 1.821 10 0 ADAERN COCc1cc(N)nc(C2CCC2)n1 83136242 573419568 /nfs/dbraw/zinc/41/95/68/573419568.db2.gz GMTHLSZTXCWAPT-UHFFFAOYSA-N 0 0 193.250 1.473 10 0 ADAERN [NH3+]CC1=N[C@H](C2CCCCC2)CO1 258337015 573419573 /nfs/dbraw/zinc/41/95/73/573419573.db2.gz VDWKCWBPDXMMQL-VIFPVBQESA-N 0 0 182.267 1.323 10 0 ADAERN CO[C@@H](c1ccc(C)cc1)[C@H](O)CO 308580567 573419576 /nfs/dbraw/zinc/41/95/76/573419576.db2.gz JQHPWCVXZNUATP-MNOVXSKESA-N 0 0 196.246 1.036 10 0 ADAERN OCc1ccnc(C2CCC2)n1 83136544 573419590 /nfs/dbraw/zinc/41/95/90/573419590.db2.gz GODHPCJTRBGJIM-UHFFFAOYSA-N 0 0 164.208 1.236 10 0 ADAERN C[C@@H]1C[C@@]1(C)[C@H]([NH2+]C1CCC1)C(=O)[O-] 714690035 573419591 /nfs/dbraw/zinc/41/95/91/573419591.db2.gz MJSFVADQAAEYDG-BCMRRPTOSA-N 0 0 197.278 1.628 10 0 ADAERN C[N@H+](CCCF)[C@H]1CC[C@@H]1C(=O)[O-] 714934105 573419593 /nfs/dbraw/zinc/41/95/93/573419593.db2.gz ZKPMRIRXIVNHAZ-YUMQZZPRSA-N 0 0 189.230 1.141 10 0 ADAERN Oc1cccc(-c2ncco2)c1O 118728578 573419595 /nfs/dbraw/zinc/41/95/95/573419595.db2.gz FLXJFELQTCADGF-UHFFFAOYSA-N 0 0 177.159 1.753 10 0 ADAERN COc1ccc2[nH]cc(N)c(=O)c2c1 238383242 573419601 /nfs/dbraw/zinc/41/96/01/573419601.db2.gz WJGYXJVTGXJYMJ-UHFFFAOYSA-N 0 0 190.202 1.531 10 0 ADAERN Cc1c(C2CCC2)[nH]oc1=O 107219057 573419602 /nfs/dbraw/zinc/41/96/02/573419602.db2.gz VPLBVDFQTRTWCR-UHFFFAOYSA-N 0 0 153.181 1.956 10 0 ADAERN CCN1CCC[C@@H]1[C@H]1[NH2+]C[C@@H](C)CO1 258335865 573419604 /nfs/dbraw/zinc/41/96/04/573419604.db2.gz DVBFGUBPTVGYRI-MXWKQRLJSA-N 0 0 198.310 1.053 10 0 ADAERN O=C([O-])C1CCC(C[NH+]2CCC2)CC1 257810804 573419610 /nfs/dbraw/zinc/41/96/10/573419610.db2.gz ARMXRBDVQJJSNU-UHFFFAOYSA-N 0 0 197.278 1.583 10 0 ADAERN Cc1ccc([C@@H]2CC(=O)CN2)cc1 258019026 573419615 /nfs/dbraw/zinc/41/96/15/573419615.db2.gz HUVNATLWYVRTCZ-NSHDSACASA-N 0 0 175.231 1.599 10 0 ADAERN CCCCCC1=NO[C@H](O)C1 118724993 573419653 /nfs/dbraw/zinc/41/96/53/573419653.db2.gz NYOMWPWPYXVCCN-QMMMGPOBSA-N 0 0 157.213 1.661 10 0 ADAERN CO[C@@]12CCC(=O)[C@@](C)(CO1)C2 238384533 573419657 /nfs/dbraw/zinc/41/96/57/573419657.db2.gz RGXAXCSHNDMDLA-BDAKNGLRSA-N 0 0 170.208 1.119 10 0 ADAERN Cc1nc(C2CCC2)nc(N)c1C 83123657 573419681 /nfs/dbraw/zinc/41/96/81/573419681.db2.gz OHEMXCHUTLNCQO-UHFFFAOYSA-N 0 0 177.251 1.943 10 0 ADAERN CO[C@@]12CC=CC[C@@H]1C(=O)C2 238384332 573419696 /nfs/dbraw/zinc/41/96/96/573419696.db2.gz YXBPZOSODHNNQH-VXNVDRBHSA-N 0 0 152.193 1.311 10 0 ADAERN CONC(=O)N(C)[C@@H](C)C1CCC1 308381214 573419697 /nfs/dbraw/zinc/41/96/97/573419697.db2.gz UTORKWWUFWQPDS-ZETCQYMHSA-N 0 0 186.255 1.378 10 0 ADAERN CCc1c2cc(N)ccc2nn1C 257810751 573419703 /nfs/dbraw/zinc/41/97/03/573419703.db2.gz ARUJONWSGHYRGC-UHFFFAOYSA-N 0 0 175.235 1.718 10 0 ADAERN Nc1cc(-c2ccc(F)c(N)c2)no1 259444166 573419720 /nfs/dbraw/zinc/41/97/20/573419720.db2.gz PDXHOPLABFULNK-UHFFFAOYSA-N 0 0 193.181 1.645 10 0 ADAERN COC[C@]1(O)CCc2cc(O)ccc21 257810777 573419739 /nfs/dbraw/zinc/41/97/39/573419739.db2.gz APUCQPDIICTYIE-LLVKDONJSA-N 0 0 194.230 1.172 10 0 ADAERN Cc1cccc2c1cc(CON)n2C 258337097 573419759 /nfs/dbraw/zinc/41/97/59/573419759.db2.gz XMYONWNBEWARMK-UHFFFAOYSA-N 0 0 190.246 1.877 10 0 ADAERN COC(=N)[C@H]1Cc2ccccc21 83123349 573419763 /nfs/dbraw/zinc/41/97/63/573419763.db2.gz RMKUJJWZQNIOGM-VIFPVBQESA-N 0 0 161.204 1.950 10 0 ADAERN OCc1cnc(C2CCC2)nc1 83136556 573419791 /nfs/dbraw/zinc/41/97/91/573419791.db2.gz LEPFJTUDVYYMDU-UHFFFAOYSA-N 0 0 164.208 1.236 10 0 ADAERN COc1cccn2c(C)nnc12 258494578 573419807 /nfs/dbraw/zinc/41/98/07/573419807.db2.gz YUFDXZQEQQWYPZ-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN CN[C@H](C)c1nc(C2CCC2)no1 83126275 573419836 /nfs/dbraw/zinc/41/98/36/573419836.db2.gz LJMIKSWVAAYDEX-ZCFIWIBFSA-N 0 0 181.239 1.618 10 0 ADAERN CC[C@H]1CC[N@H+](CCC(=O)[O-])[C@@H]1C 308381237 573419863 /nfs/dbraw/zinc/41/98/63/573419863.db2.gz UUQCKCWVWYYNKB-BDAKNGLRSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@]1(C(=O)[O-])C[C@H](C2CCC2)CC[NH2+]1 258494583 573419897 /nfs/dbraw/zinc/41/98/97/573419897.db2.gz JOEDQDOPIAAQEQ-MWLCHTKSSA-N 0 0 197.278 1.629 10 0 ADAERN Oc1ccccc1C[C@H]1CCOC1 257810926 573419925 /nfs/dbraw/zinc/41/99/25/573419925.db2.gz ASEQRIZGABDEJH-SECBINFHSA-N 0 0 178.231 1.971 10 0 ADAERN COC(OC)c1ccccc1CNO 214882756 573419978 /nfs/dbraw/zinc/41/99/78/573419978.db2.gz RWHIINCHFUHCLQ-UHFFFAOYSA-N 0 0 197.234 1.457 10 0 ADAERN NNc1ccnc(C2CCC2)[nH+]1 83136298 573419983 /nfs/dbraw/zinc/41/99/83/573419983.db2.gz RRCWVAZMJOWSJO-UHFFFAOYSA-N 0 0 164.212 1.030 10 0 ADAERN C[C@]1(CO)Cc2cc(F)ccc2N1 258337161 573419997 /nfs/dbraw/zinc/41/99/97/573419997.db2.gz XNZTYYFFGZDRCQ-SNVBAGLBSA-N 0 0 181.210 1.545 10 0 ADAERN COCOc1ccc(Cl)nc1F 118743493 573420027 /nfs/dbraw/zinc/42/00/27/573420027.db2.gz LCXREWRBXVHOOY-UHFFFAOYSA-N 0 0 191.589 1.857 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2c(O)cccc2O1 258019412 573421076 /nfs/dbraw/zinc/42/10/76/573421076.db2.gz DATZJIOIBARHAQ-JGVFFNPUSA-N 0 0 194.230 1.467 10 0 ADAERN COC(=O)c1ccc(C)c2oncc12 238385063 573421092 /nfs/dbraw/zinc/42/10/92/573421092.db2.gz CXZHDWSYIBDACC-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN OCCc1c(F)ccc2c1OCCC2 258024726 573421110 /nfs/dbraw/zinc/42/11/10/573421110.db2.gz INUSAQZXBIVPDY-UHFFFAOYSA-N 0 0 196.221 1.686 10 0 ADAERN COc1nc(N)c(C(F)F)cc1N 238390557 573423668 /nfs/dbraw/zinc/42/36/68/573423668.db2.gz QFYXZFKSFBPHQV-UHFFFAOYSA-N 0 0 189.165 1.192 10 0 ADAERN C[C@@H]1C(=O)COC12CCCCC2 238390395 573423689 /nfs/dbraw/zinc/42/36/89/573423689.db2.gz QQNVXQJSMUSORE-MRVPVSSYSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@]1(C(=O)[O-])C[C@@H](C2CCC2)CC[NH2+]1 258494590 573420348 /nfs/dbraw/zinc/42/03/48/573420348.db2.gz JOEDQDOPIAAQEQ-ONGXEEELSA-N 0 0 197.278 1.629 10 0 ADAERN CO[C@@]12CCC[C@@H](CC(=O)N1)C2 238385066 573420364 /nfs/dbraw/zinc/42/03/64/573420364.db2.gz FRZNITRSUYTHQE-IONNQARKSA-N 0 0 169.224 1.039 10 0 ADAERN O=NN1CCOc2ccccc21 118724424 573420365 /nfs/dbraw/zinc/42/03/65/573420365.db2.gz UBNHYVLVDRHLLL-UHFFFAOYSA-N 0 0 164.164 1.567 10 0 ADAERN CCCc1nnc2n1C[C@H](C)CC2 258335245 573420373 /nfs/dbraw/zinc/42/03/73/573420373.db2.gz QLRJNUJJRMDOLA-MRVPVSSYSA-N 0 0 179.267 1.813 10 0 ADAERN CC1(C)C[NH2+][C@@](C)([C@@H]2CCCCO2)O1 258335948 573420386 /nfs/dbraw/zinc/42/03/86/573420386.db2.gz DWSKQAGLNZGMKH-GXSJLCMTSA-N 0 0 199.294 1.670 10 0 ADAERN C=Cc1cc(CO)c(O)c(OC)c1 238385312 573420387 /nfs/dbraw/zinc/42/03/87/573420387.db2.gz RRKPTJVDWIVEOK-UHFFFAOYSA-N 0 0 180.203 1.536 10 0 ADAERN CSc1c(O)cccc1CCON 258019439 573420396 /nfs/dbraw/zinc/42/03/96/573420396.db2.gz DJWZZCYXFUIUCN-UHFFFAOYSA-N 0 0 199.275 1.547 10 0 ADAERN C[NH+]1CCC(C/C=C\CC(=O)[O-])CC1 258335420 573420410 /nfs/dbraw/zinc/42/04/10/573420410.db2.gz XJLSVBMHIQDYPV-IHWYPQMZSA-N 0 0 197.278 1.749 10 0 ADAERN C[C@@H]1C[C@@H](C)[C@@H](C)C1=O 118698074 573420437 /nfs/dbraw/zinc/42/04/37/573420437.db2.gz SYGMBWDGTDMGPU-FSDSQADBSA-N 0 0 126.199 1.868 10 0 ADAERN CCN1CCC[C@@H]1[C@@H]1[NH2+]C[C@H](C)CO1 258335862 573420455 /nfs/dbraw/zinc/42/04/55/573420455.db2.gz DVBFGUBPTVGYRI-HBNTYKKESA-N 0 0 198.310 1.053 10 0 ADAERN COC(OC)c1ccc(CNO)cc1 214882893 573420462 /nfs/dbraw/zinc/42/04/62/573420462.db2.gz ARWKSBNSZCDSJC-UHFFFAOYSA-N 0 0 197.234 1.457 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1cc(N)ns1 235594007 573420472 /nfs/dbraw/zinc/42/04/72/573420472.db2.gz VQNWYLQWWBQRQL-BQBZGAKWSA-N 0 0 197.307 1.818 10 0 ADAERN CCc1cc(N)cc(=O)n1CC(C)C 257810829 573420484 /nfs/dbraw/zinc/42/04/84/573420484.db2.gz ASRWQOZHKYHJGO-UHFFFAOYSA-N 0 0 194.278 1.649 10 0 ADAERN Cc1cccc2c1[C@@H](CCO)CN2C 258019447 573420485 /nfs/dbraw/zinc/42/04/85/573420485.db2.gz DAWGALVSFLORNU-JTQLQIEISA-N 0 0 191.274 1.911 10 0 ADAERN C[C@H](O)[C@H]1CN(C)c2cccc(O)c21 258024692 573420515 /nfs/dbraw/zinc/42/05/15/573420515.db2.gz JTDLKHPOPBAAGV-JGVFFNPUSA-N 0 0 193.246 1.306 10 0 ADAERN CCc1cc(N)nc(C2CCC2)n1 83123648 573420524 /nfs/dbraw/zinc/42/05/24/573420524.db2.gz ZLDZJHKUEQGLDX-UHFFFAOYSA-N 0 0 177.251 1.889 10 0 ADAERN O=Cc1cnc(CC2CCOCC2)o1 258026594 573420566 /nfs/dbraw/zinc/42/05/66/573420566.db2.gz JTLLKDGWUMJKOX-UHFFFAOYSA-N 0 0 195.218 1.456 10 0 ADAERN CONCCO[C@@H]1CCCC[C@@H]1C 308381232 573420568 /nfs/dbraw/zinc/42/05/68/573420568.db2.gz UUDGJLPTNSVEMT-VHSXEESVSA-N 0 0 187.283 1.733 10 0 ADAERN C[C@H](O)[C@H](C)S[C@@H]1CCC[C@@H]1O 235594076 573420578 /nfs/dbraw/zinc/42/05/78/573420578.db2.gz OPBBQCFLFRBRNT-XSPKLOCKSA-N 0 0 190.308 1.402 10 0 ADAERN OCc1cncn1-c1ccccc1 118717977 573420580 /nfs/dbraw/zinc/42/05/80/573420580.db2.gz PKWYNUWUYQOISC-UHFFFAOYSA-N 0 0 174.203 1.365 10 0 ADAERN [NH3+]Cc1ccnc(C2CCC2)n1 83136457 573420610 /nfs/dbraw/zinc/42/06/10/573420610.db2.gz CLFBQEQTQZGJGR-UHFFFAOYSA-N 0 0 163.224 1.203 10 0 ADAERN C[C@@]1(c2ncc(C=O)o2)CCSC1 258025233 573420611 /nfs/dbraw/zinc/42/06/11/573420611.db2.gz IGCLRYRCGHDVIQ-SECBINFHSA-N 0 0 197.259 1.882 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)[C@@H](O)CC2 238399470 573420621 /nfs/dbraw/zinc/42/06/21/573420621.db2.gz IXZBUYUGALSOFL-HQJQHLMTSA-N 0 0 178.231 1.720 10 0 ADAERN CC(=O)c1cc(F)c(F)cc1CO 258019177 573420629 /nfs/dbraw/zinc/42/06/29/573420629.db2.gz IBRKZWVEWYVLNB-UHFFFAOYSA-N 0 0 186.157 1.660 10 0 ADAERN C[C@@H](O)Cc1cc2c(cc1F)OCO2 258024740 573420649 /nfs/dbraw/zinc/42/06/49/573420649.db2.gz INZCQONVBQLUMX-ZCFIWIBFSA-N 0 0 198.193 1.478 10 0 ADAERN CCOc1cccc(O)c1CCO 258024609 573420658 /nfs/dbraw/zinc/42/06/58/573420658.db2.gz IKUPXCZLXWWUJE-UHFFFAOYSA-N 0 0 182.219 1.326 10 0 ADAERN CCCCCC1=NO[C@@H](O)C1 118724991 573420670 /nfs/dbraw/zinc/42/06/70/573420670.db2.gz NYOMWPWPYXVCCN-MRVPVSSYSA-N 0 0 157.213 1.661 10 0 ADAERN CS[C@@H](CO)C(C)(C)SC 238385317 573420671 /nfs/dbraw/zinc/42/06/71/573420671.db2.gz GQVFMWONTZZVOQ-LURJTMIESA-N 0 0 180.338 1.852 10 0 ADAERN CC(C)c1c2c(nn1C)CNC2 107221685 573420711 /nfs/dbraw/zinc/42/07/11/573420711.db2.gz IAXBEXIXFMZRAK-UHFFFAOYSA-N 0 0 165.240 1.147 10 0 ADAERN COc1cnn(C(C)(C)C)c1 258335935 573420714 /nfs/dbraw/zinc/42/07/14/573420714.db2.gz DWIPSNMFNKHDGI-UHFFFAOYSA-N 0 0 154.213 1.647 10 0 ADAERN O=C1CNCc2cc3ccccc3n21 258024908 573420721 /nfs/dbraw/zinc/42/07/21/573420721.db2.gz HEZYHRSDLKWWJZ-UHFFFAOYSA-N 0 0 186.214 1.385 10 0 ADAERN CSc1ncc(Cl)n1C 258648160 573423711 /nfs/dbraw/zinc/42/37/11/573423711.db2.gz WOTMTGGVVWRVEE-UHFFFAOYSA-N 0 0 162.645 1.795 10 0 ADAERN Cc1ccc2c(c1)O[C@@](C)(C[NH3+])O2 258337073 573420733 /nfs/dbraw/zinc/42/07/33/573420733.db2.gz VFAGWGVRQRPKLI-JTQLQIEISA-N 0 0 179.219 1.441 10 0 ADAERN CN(C=O)Cc1ccc(Cl)cc1 83144973 573423715 /nfs/dbraw/zinc/42/37/15/573423715.db2.gz MJWPZBMERALYFY-UHFFFAOYSA-N 0 0 183.638 1.928 10 0 ADAERN Cc1nnc(C[NH2+]CC2CCCC2)[nH]1 133675365 573423717 /nfs/dbraw/zinc/42/37/17/573423717.db2.gz BWQMJSGSTYWEAB-UHFFFAOYSA-N 0 0 194.282 1.393 10 0 ADAERN CSc1cccc(O)c1CCO 258024703 573423718 /nfs/dbraw/zinc/42/37/18/573423718.db2.gz INDBBZKKTYTYPA-UHFFFAOYSA-N 0 0 184.260 1.649 10 0 ADAERN OCCCC1=CC1 118693192 573420748 /nfs/dbraw/zinc/42/07/48/573420748.db2.gz BMLQBWIGNISFGS-UHFFFAOYSA-N 0 0 98.145 1.089 10 0 ADAERN CCCCC(=O)N(C)C[C@@H](C)CO 308381259 573420750 /nfs/dbraw/zinc/42/07/50/573420750.db2.gz UVPMGQJKIRJFFN-SECBINFHSA-N 0 0 187.283 1.263 10 0 ADAERN COc1cccc(C(C)(C)CO)c1O 258019182 573420774 /nfs/dbraw/zinc/42/07/74/573420774.db2.gz IBUFIQSBIUNRMU-UHFFFAOYSA-N 0 0 196.246 1.671 10 0 ADAERN COC1(OC)c2ccccc2C[C@H]1O 238385413 573420818 /nfs/dbraw/zinc/42/08/18/573420818.db2.gz MJOPZIQVECBJLJ-SNVBAGLBSA-N 0 0 194.230 1.049 10 0 ADAERN COc1ccccc1[C@H](N)C(F)F 83137826 573423732 /nfs/dbraw/zinc/42/37/32/573423732.db2.gz VDKBTMXIFZXNIH-QMMMGPOBSA-N 0 0 187.189 1.960 10 0 ADAERN COC1(OC)c2ccccc2C[C@@H]1O 238385193 573420831 /nfs/dbraw/zinc/42/08/31/573420831.db2.gz MJOPZIQVECBJLJ-JTQLQIEISA-N 0 0 194.230 1.049 10 0 ADAERN C[C@H](CO)c1ccc2c[nH]nc2c1 258024498 573420833 /nfs/dbraw/zinc/42/08/33/573420833.db2.gz OLWBHYZKICRQIU-SSDOTTSWSA-N 0 0 176.219 1.659 10 0 ADAERN C[C@@H](O)C[C@H](O)C[Si](C)(C)C 238399520 573420837 /nfs/dbraw/zinc/42/08/37/573420837.db2.gz TZVRIBAMBJKFNF-SFYZADRCSA-N 0 0 176.332 1.456 10 0 ADAERN ONCc1ccc(N2C=NCC2)cc1 258024659 573420840 /nfs/dbraw/zinc/42/08/40/573420840.db2.gz ILNYBKPLAQYARB-UHFFFAOYSA-N 0 0 191.234 1.014 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)[C@H](O)CC2 238399445 573420848 /nfs/dbraw/zinc/42/08/48/573420848.db2.gz IXZBUYUGALSOFL-RDDDGLTNSA-N 0 0 178.231 1.720 10 0 ADAERN COC1=NC(Cl)C=CC=N1 238385346 573420887 /nfs/dbraw/zinc/42/08/87/573420887.db2.gz OULTZZFSDIFDKC-UHFFFAOYSA-N 0 0 158.588 1.186 10 0 ADAERN COc1ccc(C)c(OC)c1CNO 214882688 573420898 /nfs/dbraw/zinc/42/08/98/573420898.db2.gz IOBVAMFCSZLGJR-UHFFFAOYSA-N 0 0 197.234 1.491 10 0 ADAERN OCCCc1ccc2c(c1)OCCC2 258019223 573420899 /nfs/dbraw/zinc/42/08/99/573420899.db2.gz IDFILMUCAFMOAJ-UHFFFAOYSA-N 0 0 192.258 1.937 10 0 ADAERN C[C@]1(c2ncc(C=O)o2)CCSC1 258025235 573420907 /nfs/dbraw/zinc/42/09/07/573420907.db2.gz IGCLRYRCGHDVIQ-VIFPVBQESA-N 0 0 197.259 1.882 10 0 ADAERN O=C(/C=C\CO)Nc1ccc(F)cc1 308381921 573420911 /nfs/dbraw/zinc/42/09/11/573420911.db2.gz WZXMAVMTCZWHSR-UPHRSURJSA-N 0 0 195.193 1.313 10 0 ADAERN COC[C@H]1C[C@@H](C)CCC1=O 238385162 573420912 /nfs/dbraw/zinc/42/09/12/573420912.db2.gz AZUJHEDQYHYZFX-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN CC(=O)CCc1ccnc(C)n1 107221344 573420939 /nfs/dbraw/zinc/42/09/39/573420939.db2.gz IDCPUNGQGPBURG-UHFFFAOYSA-N 0 0 164.208 1.307 10 0 ADAERN c1scc2c1CCO2 118709465 573420949 /nfs/dbraw/zinc/42/09/49/573420949.db2.gz OPSCWDASULUTIB-UHFFFAOYSA-N 0 0 126.180 1.683 10 0 ADAERN CONC(=O)N(C)[C@H](C)C1CCC1 308381212 573420956 /nfs/dbraw/zinc/42/09/56/573420956.db2.gz UTORKWWUFWQPDS-SSDOTTSWSA-N 0 0 186.255 1.378 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2c(O)cccc2O1 258019406 573420985 /nfs/dbraw/zinc/42/09/85/573420985.db2.gz DATZJIOIBARHAQ-HTQZYQBOSA-N 0 0 194.230 1.467 10 0 ADAERN CC(C)[P@@](=O)([O-])CCC[NH3+] 118703480 573421024 /nfs/dbraw/zinc/42/10/24/573421024.db2.gz SVPKNMCOWGUIBL-UHFFFAOYSA-N 0 0 165.173 1.014 10 0 ADAERN COc1cc(C=O)[nH]c1-c1ccc[nH]1 238385461 573421045 /nfs/dbraw/zinc/42/10/45/573421045.db2.gz HKUGFRJKLJPUJB-UHFFFAOYSA-N 0 0 190.202 1.831 10 0 ADAERN OCc1n[nH]nc1-c1ccc(F)cc1 258026069 573421058 /nfs/dbraw/zinc/42/10/58/573421058.db2.gz ANTUTTDELLWLTA-UHFFFAOYSA-N 0 0 193.181 1.103 10 0 ADAERN COC(OC)c1cccc(CNO)c1 214882827 573421065 /nfs/dbraw/zinc/42/10/65/573421065.db2.gz ICXUAHNRDVASTK-UHFFFAOYSA-N 0 0 197.234 1.457 10 0 ADAERN C=COCc1ccco1 83137598 573423741 /nfs/dbraw/zinc/42/37/41/573423741.db2.gz SPMGSJNELOSIJE-UHFFFAOYSA-N 0 0 124.139 1.940 10 0 ADAERN O[C@H](c1ccco1)C(F)F 83141945 573423743 /nfs/dbraw/zinc/42/37/43/573423743.db2.gz DJZTTYPDUPOJHY-RXMQYKEDSA-N 0 0 148.108 1.578 10 0 ADAERN CSc1nc2c(C)[nH]n(C)c-2n1 238390534 573423756 /nfs/dbraw/zinc/42/37/56/573423756.db2.gz GXMZRWGPIIXJRQ-UHFFFAOYSA-N 0 0 182.252 1.327 10 0 ADAERN COc1cnc(C(C)=O)c(OC)c1 238391585 573423775 /nfs/dbraw/zinc/42/37/75/573423775.db2.gz VARSBXWPKVWJFV-UHFFFAOYSA-N 0 0 181.191 1.301 10 0 ADAERN COc1nc(N)c(C)c2cnccc12 238390729 573423786 /nfs/dbraw/zinc/42/37/86/573423786.db2.gz GFRLJEGGDDWBQC-UHFFFAOYSA-N 0 0 189.218 1.529 10 0 ADAERN O[C@H](Cc1ccccn1)C(F)(F)F 83138037 573423801 /nfs/dbraw/zinc/42/38/01/573423801.db2.gz ZWXRXKYNMOHELS-SSDOTTSWSA-N 0 0 191.152 1.547 10 0 ADAERN CC[C@@H](C)C(=O)N(C)C(C)(C)CO 133629303 573423802 /nfs/dbraw/zinc/42/38/02/573423802.db2.gz DZCGHOHMSSNJHQ-MRVPVSSYSA-N 0 0 187.283 1.262 10 0 ADAERN CCCc1nnc2ccc(OC)cn12 258025549 573423859 /nfs/dbraw/zinc/42/38/59/573423859.db2.gz RFFCSQXKKUJUEW-UHFFFAOYSA-N 0 0 191.234 1.690 10 0 ADAERN C[C@H]([NH3+])c1nc(-c2nccs2)c[nH]1 83142714 573423877 /nfs/dbraw/zinc/42/38/77/573423877.db2.gz BVEHCYUSLMIJBD-YFKPBYRVSA-N 0 0 194.263 1.553 10 0 ADAERN CC[C@H](Cc1ccn(C)n1)[C@H](C)O 124334530 573423880 /nfs/dbraw/zinc/42/38/80/573423880.db2.gz FRXLOKICXAYXFH-DTWKUNHWSA-N 0 0 182.267 1.370 10 0 ADAERN O=c1[nH]c(-c2nccs2)cs1 83142702 573423904 /nfs/dbraw/zinc/42/39/04/573423904.db2.gz VHXMXPMUAWLDPR-UHFFFAOYSA-N 0 0 184.245 1.560 10 0 ADAERN CCCCC(=O)N(C)C(C)(C)CO 133643284 573423906 /nfs/dbraw/zinc/42/39/06/573423906.db2.gz AFESVMMTZGHBPX-UHFFFAOYSA-N 0 0 187.283 1.406 10 0 ADAERN COc1cc(C)[nH+]c(C)c1C(=O)[O-] 83138213 573423909 /nfs/dbraw/zinc/42/39/09/573423909.db2.gz AFQLRSLLTBMOCC-UHFFFAOYSA-N 0 0 181.191 1.405 10 0 ADAERN CCc1oc(N)nc1-c1ccccn1 258648440 573423919 /nfs/dbraw/zinc/42/39/19/573423919.db2.gz SOQJSJXNYVLNHR-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN C[C@@H](O)Cc1ccc(O)c(F)c1F 258024617 573423931 /nfs/dbraw/zinc/42/39/31/573423931.db2.gz IKZAAMVMACZOFU-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN COCc1cc(F)cc(OC)c1C=O 258024377 573423974 /nfs/dbraw/zinc/42/39/74/573423974.db2.gz OISVKKZITUNQFD-UHFFFAOYSA-N 0 0 198.193 1.793 10 0 ADAERN O=C(Cc1ccncc1)C1CCC1 83137549 573423975 /nfs/dbraw/zinc/42/39/75/573423975.db2.gz OADBLLLVHNUNGQ-UHFFFAOYSA-N 0 0 175.231 1.993 10 0 ADAERN Nc1ccc(=O)n2c(Cl)cccc12 258025436 573423993 /nfs/dbraw/zinc/42/39/93/573423993.db2.gz IIKNTNBCDOLPNU-UHFFFAOYSA-N 0 0 194.621 1.535 10 0 ADAERN COC(=O)c1ccc(F)o1 238391494 573423995 /nfs/dbraw/zinc/42/39/95/573423995.db2.gz GAXALWFTRBWEBL-UHFFFAOYSA-N 0 0 144.101 1.205 10 0 ADAERN CC(C)CN(C=O)C1CC1 83144995 573423997 /nfs/dbraw/zinc/42/39/97/573423997.db2.gz ASBGOUKQSVVCIN-UHFFFAOYSA-N 0 0 141.214 1.263 10 0 ADAERN COC(=O)c1ccc(F)c2c[nH]nc12 238390644 573424003 /nfs/dbraw/zinc/42/40/03/573424003.db2.gz FUBUNPZVKRUCFG-UHFFFAOYSA-N 0 0 194.165 1.489 10 0 ADAERN C1Cc2c(noc2C2CC2)CN1 107221340 573424029 /nfs/dbraw/zinc/42/40/29/573424029.db2.gz DVRVHUOGDUEHQD-UHFFFAOYSA-N 0 0 164.208 1.198 10 0 ADAERN C[NH2+]Cc1nc(-c2nccs2)c[nH]1 83142752 573424045 /nfs/dbraw/zinc/42/40/45/573424045.db2.gz QBNRQYBXNBJDFH-UHFFFAOYSA-N 0 0 194.263 1.253 10 0 ADAERN CC1(C)Cc2cc(CCO)ccc2O1 258019197 573424072 /nfs/dbraw/zinc/42/40/72/573424072.db2.gz ICFFCLZNNBXNRZ-UHFFFAOYSA-N 0 0 192.258 1.935 10 0 ADAERN CC[C@@]1(CO)Cc2cc(O)ccc2N1 258025627 573424079 /nfs/dbraw/zinc/42/40/79/573424079.db2.gz DJCBAOWTRXGCFP-NSHDSACASA-N 0 0 193.246 1.501 10 0 ADAERN C[NH2+]Cc1cc(-c2nccs2)n[nH]1 83142870 573424085 /nfs/dbraw/zinc/42/40/85/573424085.db2.gz VHDKDPLEAHCAHK-UHFFFAOYSA-N 0 0 194.263 1.253 10 0 ADAERN CO[C@H](c1cc(C)ccc1O)[C@H](C)O 238391351 573424102 /nfs/dbraw/zinc/42/41/02/573424102.db2.gz XSBILPZIIKVQSH-KWQFWETISA-N 0 0 196.246 1.769 10 0 ADAERN CN(C=O)Cc1ccc(F)c(F)c1 83144983 573424103 /nfs/dbraw/zinc/42/41/03/573424103.db2.gz QNIVZXCDEJCQHJ-UHFFFAOYSA-N 0 0 185.173 1.553 10 0 ADAERN COc1cc2c(cc1CO)C(=O)CC2 238390280 573424108 /nfs/dbraw/zinc/42/41/08/573424108.db2.gz GMKSXYRFASUWKZ-UHFFFAOYSA-N 0 0 192.214 1.316 10 0 ADAERN C[C@@]1(c2nccs2)C[C@@H](O)CCO1 83144314 573424113 /nfs/dbraw/zinc/42/41/13/573424113.db2.gz ZETMYSWTYGRIJV-CBAPKCEASA-N 0 0 199.275 1.530 10 0 ADAERN CCCNC1=NC(CC)(CC)C(=O)N1 133632993 573424136 /nfs/dbraw/zinc/42/41/36/573424136.db2.gz UMFUCMSSVUZWGK-UHFFFAOYSA-N 0 0 197.282 1.031 10 0 ADAERN O=Cc1cc(-c2nccs2)n[nH]1 83142879 573424147 /nfs/dbraw/zinc/42/41/47/573424147.db2.gz RFOJUZFVCJVRGH-UHFFFAOYSA-N 0 0 179.204 1.346 10 0 ADAERN C[C@@H]1CCC[C@@H](N(C)C=O)C1 83141964 573424186 /nfs/dbraw/zinc/42/41/86/573424186.db2.gz BNVPJXOFYMSYKP-RKDXNWHRSA-N 0 0 155.241 1.653 10 0 ADAERN COCc1cc(F)c(F)c(C=O)c1 258026620 573424225 /nfs/dbraw/zinc/42/42/25/573424225.db2.gz OOWPPRXISCXURQ-UHFFFAOYSA-N 0 0 186.157 1.924 10 0 ADAERN CCC[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 133675571 573424237 /nfs/dbraw/zinc/42/42/37/573424237.db2.gz BNRGFQMYEJYXQT-MRVPVSSYSA-N 0 0 196.298 1.639 10 0 ADAERN C[C@@H](c1ccc(F)cc1)N(C)C=O 83144943 573424243 /nfs/dbraw/zinc/42/42/43/573424243.db2.gz NSCUDTVVKWCMKT-QMMMGPOBSA-N 0 0 181.210 1.975 10 0 ADAERN Cc1c(N)nn(C)c1C1CCC1 107221749 573424244 /nfs/dbraw/zinc/42/42/44/573424244.db2.gz IWEHTOUBTPYCSY-UHFFFAOYSA-N 0 0 165.240 1.578 10 0 ADAERN CSc1nc2cccc(N)cc-2n1 238390292 573424247 /nfs/dbraw/zinc/42/42/47/573424247.db2.gz HDPFSGRYAGFVIQ-UHFFFAOYSA-N 0 0 191.259 1.886 10 0 ADAERN C[C@H]1CCC[C@@H](N(C)C=O)C1 83141966 573424265 /nfs/dbraw/zinc/42/42/65/573424265.db2.gz BNVPJXOFYMSYKP-DTWKUNHWSA-N 0 0 155.241 1.653 10 0 ADAERN C[C@@H]1C(=O)COC1(C)C 238390356 573424273 /nfs/dbraw/zinc/42/42/73/573424273.db2.gz IMGKHNBWOXQHCK-RXMQYKEDSA-N 0 0 128.171 1.000 10 0 ADAERN C[C@@H](O)COC(=O)Nc1ccccc1 238391859 573424285 /nfs/dbraw/zinc/42/42/85/573424285.db2.gz LAKNZXNBZFBJPW-MRVPVSSYSA-N 0 0 195.218 1.616 10 0 ADAERN C[C@@H]1C(=O)CCc2c(O)ccc(O)c21 238390225 573424304 /nfs/dbraw/zinc/42/43/04/573424304.db2.gz KDNCAZOJNQVYJN-ZCFIWIBFSA-N 0 0 192.214 1.717 10 0 ADAERN COC1=N[C@@H](C)[C@H](c2ccccc2)N1 238390488 573424311 /nfs/dbraw/zinc/42/43/11/573424311.db2.gz ALBFYQHLMQRBIG-WCBMZHEXSA-N 0 0 190.246 1.722 10 0 ADAERN C[C@]1(c2nnc(N)o2)CCCSC1 258025319 573424329 /nfs/dbraw/zinc/42/43/29/573424329.db2.gz IHBNBPUNCCCPDF-QMMMGPOBSA-N 0 0 199.279 1.437 10 0 ADAERN CO[C@@]1(c2ccccc2C=O)CC[NH2+]1 238390207 573424332 /nfs/dbraw/zinc/42/43/32/573424332.db2.gz VMIRYRJMRITFSQ-LLVKDONJSA-N 0 0 191.230 1.292 10 0 ADAERN COC[C@H]1CCc2cc(N)ccc21 257811482 573424334 /nfs/dbraw/zinc/42/43/34/573424334.db2.gz BDKPMEAZACZSPI-SECBINFHSA-N 0 0 177.247 1.945 10 0 ADAERN O=CNCc1nc2ccccc2s1 83145053 573424335 /nfs/dbraw/zinc/42/43/35/573424335.db2.gz MBMYDDLWAGIXOL-UHFFFAOYSA-N 0 0 192.243 1.542 10 0 ADAERN COC(=O)[C@@]1(C)CCC/C1=C\CO 238391589 573424347 /nfs/dbraw/zinc/42/43/47/573424347.db2.gz ACDDRIVFOOCRJX-YVFTVSHDSA-N 0 0 184.235 1.268 10 0 ADAERN Nc1nn(C2CCCC2)c2c1COC2 257811608 573424349 /nfs/dbraw/zinc/42/43/49/573424349.db2.gz BIIHYFDCFZMPER-UHFFFAOYSA-N 0 0 193.250 1.611 10 0 ADAERN CC[N@@H+]1CCC[C@H](n2cc([O-])cn2)C1 258019374 573424353 /nfs/dbraw/zinc/42/43/53/573424353.db2.gz RLTMHLOGFDLDDI-VIFPVBQESA-N 0 0 195.266 1.246 10 0 ADAERN COC(=O)c1ccc(F)n2nccc12 238391402 573424373 /nfs/dbraw/zinc/42/43/73/573424373.db2.gz XBWVZZGJTJFFFI-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN C[C@H]1CCC[C@H](N(C)C=O)C1 83141962 573424390 /nfs/dbraw/zinc/42/43/90/573424390.db2.gz BNVPJXOFYMSYKP-IUCAKERBSA-N 0 0 155.241 1.653 10 0 ADAERN CNc1nccc(-c2nccs2)n1 83142953 573424405 /nfs/dbraw/zinc/42/44/05/573424405.db2.gz ADPMPISJZVHLSH-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CC(C)(O)c1nc2c(N)cccc2o1 83141820 573424417 /nfs/dbraw/zinc/42/44/17/573424417.db2.gz GPRWQDOOQDJCLU-UHFFFAOYSA-N 0 0 192.218 1.637 10 0 ADAERN CCCC[C@H]1N=C(NCCC)NC1=O 133645618 573424419 /nfs/dbraw/zinc/42/44/19/573424419.db2.gz CMZVHFHCYXFTTJ-MRVPVSSYSA-N 0 0 197.282 1.031 10 0 ADAERN COc1cc(O)c(C)c([S-])c1 238390233 573424422 /nfs/dbraw/zinc/42/44/22/573424422.db2.gz RWDKPWJZUYGCEJ-UHFFFAOYSA-N 0 0 170.233 1.998 10 0 ADAERN CONCc1ccc(C)c(C)c1OC 258024807 573424456 /nfs/dbraw/zinc/42/44/56/573424456.db2.gz IPKVALFFYDQWBK-UHFFFAOYSA-N 0 0 195.262 1.963 10 0 ADAERN OCc1nc(-c2nccs2)c[nH]1 83142963 573424477 /nfs/dbraw/zinc/42/44/77/573424477.db2.gz VXFPTNHYRNHVBQ-UHFFFAOYSA-N 0 0 181.220 1.026 10 0 ADAERN COC(=O)Cc1ccc(C)[nH]1 238390818 573424481 /nfs/dbraw/zinc/42/44/81/573424481.db2.gz CBGZVPZQUXQHQZ-UHFFFAOYSA-N 0 0 153.181 1.039 10 0 ADAERN COC[C@](C)(Cl)C(C)=O 238390568 573424485 /nfs/dbraw/zinc/42/44/85/573424485.db2.gz FEAQBHWNYXWMTI-LURJTMIESA-N 0 0 150.605 1.219 10 0 ADAERN CC[C@@H](Cc1ccn(C)n1)[C@H](C)O 124334273 573424514 /nfs/dbraw/zinc/42/45/14/573424514.db2.gz FRXLOKICXAYXFH-IUCAKERBSA-N 0 0 182.267 1.370 10 0 ADAERN CCc1nc(N)nc(C2CCC2)n1 83137430 573424522 /nfs/dbraw/zinc/42/45/22/573424522.db2.gz QSMYCAHRLSTOSJ-UHFFFAOYSA-N 0 0 178.239 1.284 10 0 ADAERN NC(=O)c1nc(-c2cc[nH]c2)cs1 259445463 573424542 /nfs/dbraw/zinc/42/45/42/573424542.db2.gz YUBSSRRMYVJSHW-UHFFFAOYSA-N 0 0 193.231 1.237 10 0 ADAERN CCc1cn2c(O)cccc2n1 258025087 573424549 /nfs/dbraw/zinc/42/45/49/573424549.db2.gz RYKKZQMGZBPWAH-UHFFFAOYSA-N 0 0 162.192 1.602 10 0 ADAERN CCC(CC)[C@H](O)[C@@H]1C[C@@H]1OC 689953025 573424585 /nfs/dbraw/zinc/42/45/85/573424585.db2.gz ILKKENDFEUYNQB-UTLUCORTSA-N 0 0 172.268 1.818 10 0 ADAERN C[C@@](O)(CO)CCc1ccccc1O 257811578 573424589 /nfs/dbraw/zinc/42/45/89/573424589.db2.gz BHALDNNFXQTLDV-NSHDSACASA-N 0 0 196.246 1.068 10 0 ADAERN CC[NH2+]Cc1ccc(C(=O)[O-])cc1C 258026025 573424609 /nfs/dbraw/zinc/42/46/09/573424609.db2.gz CIMLCUMHVMIXHG-UHFFFAOYSA-N 0 0 193.246 1.803 10 0 ADAERN COc1nc(N)c(C)cc1C(F)F 238390745 573424614 /nfs/dbraw/zinc/42/46/14/573424614.db2.gz ZKGYXNOQZAHHFS-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN Cc1ccc(C=O)c(C2(O)CC2)c1 258024509 573424619 /nfs/dbraw/zinc/42/46/19/573424619.db2.gz OMNRIWONDAWCCJ-UHFFFAOYSA-N 0 0 176.215 1.789 10 0 ADAERN COC[C@@H](NN)C(C(C)C)C(C)C 394319691 573424643 /nfs/dbraw/zinc/42/46/43/573424643.db2.gz CMEUWUZMQXNMSJ-SECBINFHSA-N 0 0 188.315 1.393 10 0 ADAERN Cc1ccc(-c2cc(N)on2)c(O)c1 258024650 573424660 /nfs/dbraw/zinc/42/46/60/573424660.db2.gz ILKWLXLPHMAERR-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN COc1nc(N)cc(C(F)F)c1F 238391573 573424674 /nfs/dbraw/zinc/42/46/74/573424674.db2.gz RGKGYFDJDDNWCW-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN C/C=C\C(=O)N[C@@H](C)CC1CC1 211132029 573424684 /nfs/dbraw/zinc/42/46/84/573424684.db2.gz HVZUDTXRZQLSJZ-VEMNSZJBSA-N 0 0 167.252 1.867 10 0 ADAERN OCCc1cc(-c2ccccc2)n[nH]1 118753928 573424685 /nfs/dbraw/zinc/42/46/85/573424685.db2.gz ZCWWMIGVIGXKIQ-UHFFFAOYSA-N 0 0 188.230 1.612 10 0 ADAERN CNc1cc(-c2nccs2)[nH]n1 83142932 573424687 /nfs/dbraw/zinc/42/46/87/573424687.db2.gz ZEHKDZCZDRGMHC-UHFFFAOYSA-N 0 0 180.236 1.575 10 0 ADAERN CSc1nc(C)c(CCO)c(C)n1 258026554 573424697 /nfs/dbraw/zinc/42/46/97/573424697.db2.gz QFCVHBPUKXQUFM-UHFFFAOYSA-N 0 0 198.291 1.350 10 0 ADAERN C[C@H](O)[C@@H](O)CCC(F)(F)F 235598436 573424712 /nfs/dbraw/zinc/42/47/12/573424712.db2.gz YKUSSGONRCWKQQ-WHFBIAKZSA-N 0 0 172.146 1.071 10 0 ADAERN CC[C@H](C)C(=O)N(C)C(C)(C)CO 133629521 573424718 /nfs/dbraw/zinc/42/47/18/573424718.db2.gz DZCGHOHMSSNJHQ-QMMMGPOBSA-N 0 0 187.283 1.262 10 0 ADAERN C[C@H](O)[C@H](C)c1nc(C2CCC2)no1 83137071 573424720 /nfs/dbraw/zinc/42/47/20/573424720.db2.gz IMOSDDFVYKGURS-BQBZGAKWSA-N 0 0 196.250 1.821 10 0 ADAERN COC1=Nc2cnccc2CC1 238390760 573424728 /nfs/dbraw/zinc/42/47/28/573424728.db2.gz ADBIEQXZKZONQE-UHFFFAOYSA-N 0 0 162.192 1.704 10 0 ADAERN CO[C@H]1[C@H](CO)C12CCCCC2 238391107 573424734 /nfs/dbraw/zinc/42/47/34/573424734.db2.gz FDEJZSCYMGHRBU-IUCAKERBSA-N 0 0 170.252 1.574 10 0 ADAERN CC(=O)Cc1cc(C)cc2c1OCO2 258024796 573424752 /nfs/dbraw/zinc/42/47/52/573424752.db2.gz IPDMLUQQKLIBPO-UHFFFAOYSA-N 0 0 192.214 1.855 10 0 ADAERN CO[C@H](C(N)=O)c1ccc(C)cc1 238391734 573424775 /nfs/dbraw/zinc/42/47/75/573424775.db2.gz ZEPBSFQUFZIXGT-VIFPVBQESA-N 0 0 179.219 1.168 10 0 ADAERN Cc1cncc2c1CC(=O)[C@H]2C 238391208 573424780 /nfs/dbraw/zinc/42/47/80/573424780.db2.gz QDJKLXGJWWIRJL-ZETCQYMHSA-N 0 0 161.204 1.619 10 0 ADAERN COc1nc(N)cc(C(F)F)c1O 238391638 573424806 /nfs/dbraw/zinc/42/48/06/573424806.db2.gz OSFDTZHUKNWEQG-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COC(=O)[C@@]1(C)CC=CCC1=O 238391301 573424812 /nfs/dbraw/zinc/42/48/12/573424812.db2.gz XCGYKCOZGNSVMJ-VIFPVBQESA-N 0 0 168.192 1.085 10 0 ADAERN COC(=O)/C=C\N1CC[C@@H](C(C)C)C1 308389626 573424817 /nfs/dbraw/zinc/42/48/17/573424817.db2.gz ZGXVEBQYFAVZAB-ONRRBMGISA-N 0 0 197.278 1.651 10 0 ADAERN ONCc1ccc([C@H]2COCO2)cc1 258024757 573424822 /nfs/dbraw/zinc/42/48/22/573424822.db2.gz IOCWCICHLSZAGE-SNVBAGLBSA-N 0 0 195.218 1.211 10 0 ADAERN COc1nc(N)c(F)cc1C(F)F 238390936 573424830 /nfs/dbraw/zinc/42/48/30/573424830.db2.gz HHWFNDVKVFFWKU-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CN[C@@H](Cc1ccco1)C(F)(F)F 133641126 573424834 /nfs/dbraw/zinc/42/48/34/573424834.db2.gz IXGSNWOWCNWYEI-ZETCQYMHSA-N 0 0 193.168 1.972 10 0 ADAERN C[C@H](O)[C@H](C)Sc1cc(N)ccn1 235598947 573424836 /nfs/dbraw/zinc/42/48/36/573424836.db2.gz YFFXIDMEKMRTBD-BQBZGAKWSA-N 0 0 198.291 1.525 10 0 ADAERN NOCc1ccc2ccoc2c1 258026523 573424873 /nfs/dbraw/zinc/42/48/73/573424873.db2.gz ONZRUSZEBJUELN-UHFFFAOYSA-N 0 0 163.176 1.823 10 0 ADAERN C[C@@H](O)c1nc(C2CCC2)no1 83137134 573424875 /nfs/dbraw/zinc/42/48/75/573424875.db2.gz JBBXTMDSYUPHPC-RXMQYKEDSA-N 0 0 168.196 1.390 10 0 ADAERN C[C@@H](CO)NC(=O)/C=C\C(C)(C)C 308382274 573424877 /nfs/dbraw/zinc/42/48/77/573424877.db2.gz RDSGNJYWSMTHFH-SLGIHZDVSA-N 0 0 185.267 1.086 10 0 ADAERN CC(C)c1onc2c1CCNC2 107221823 573424889 /nfs/dbraw/zinc/42/48/89/573424889.db2.gz FTQHVPFHRWYXOV-UHFFFAOYSA-N 0 0 166.224 1.444 10 0 ADAERN COc1cc(O)c(CO)c(C)c1C 238391422 573424907 /nfs/dbraw/zinc/42/49/07/573424907.db2.gz NZIJVDVDEDDDIC-UHFFFAOYSA-N 0 0 182.219 1.510 10 0 ADAERN C[C@@](N)(c1nccs1)C(F)(F)F 83144288 573424922 /nfs/dbraw/zinc/42/49/22/573424922.db2.gz VKMIBFCHJGZFFA-RXMQYKEDSA-N 0 0 196.197 1.879 10 0 ADAERN C[C@]1(c2nccs2)C[C@@H](O)CCO1 83144313 573424928 /nfs/dbraw/zinc/42/49/28/573424928.db2.gz ZETMYSWTYGRIJV-IONNQARKSA-N 0 0 199.275 1.530 10 0 ADAERN C[C@H](c1ccccc1F)N(C)C=O 83145005 573424936 /nfs/dbraw/zinc/42/49/36/573424936.db2.gz AKJLGMBSODFOAD-MRVPVSSYSA-N 0 0 181.210 1.975 10 0 ADAERN C[C@]1(c2nccs2)C[C@H](O)CCO1 83144310 573424944 /nfs/dbraw/zinc/42/49/44/573424944.db2.gz ZETMYSWTYGRIJV-VXNVDRBHSA-N 0 0 199.275 1.530 10 0 ADAERN CCn1c(CO)cc2c(N)cccc21 258024012 573424950 /nfs/dbraw/zinc/42/49/50/573424950.db2.gz MNCANTYUVZYRGX-UHFFFAOYSA-N 0 0 190.246 1.736 10 0 ADAERN CC(C)O[P@](C)(=O)NCCCO 238205429 573424956 /nfs/dbraw/zinc/42/49/56/573424956.db2.gz SAWULTOQVISRIY-LBPRGKRZSA-N 0 0 195.199 1.206 10 0 ADAERN COc1nc(N)c(O)cc1C(F)F 238391187 573424957 /nfs/dbraw/zinc/42/49/57/573424957.db2.gz ZJIHUWZPTXYYCJ-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN C[C@](N)(c1nccs1)C(F)(F)F 83144290 573424965 /nfs/dbraw/zinc/42/49/65/573424965.db2.gz VKMIBFCHJGZFFA-YFKPBYRVSA-N 0 0 196.197 1.879 10 0 ADAERN CO[C@@](C)(CCO)C1CCCC1 257811485 573424971 /nfs/dbraw/zinc/42/49/71/573424971.db2.gz BDMVTRPYOGYJNC-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CNCC(F)(F)CC1CCOCC1 257811590 573424997 /nfs/dbraw/zinc/42/49/97/573424997.db2.gz BHOUUGDWMIVZIF-UHFFFAOYSA-N 0 0 193.237 1.658 10 0 ADAERN NNc1nc(-c2nccs2)cs1 83142853 573425041 /nfs/dbraw/zinc/42/50/41/573425041.db2.gz ZFULTGWEJWECHQ-UHFFFAOYSA-N 0 0 198.276 1.552 10 0 ADAERN c1cnnc(NCc2ccon2)c1 86443491 573425054 /nfs/dbraw/zinc/42/50/54/573425054.db2.gz QWGMNYGJQAQDSX-UHFFFAOYSA-N 0 0 176.179 1.077 10 0 ADAERN Nc1cnnc(C2CCSCC2)c1 259445167 573425059 /nfs/dbraw/zinc/42/50/59/573425059.db2.gz LNYUAEQLDBOFES-UHFFFAOYSA-N 0 0 195.291 1.669 10 0 ADAERN C[C@@]1(c2nccs2)C[C@H](O)CCO1 83144312 573425081 /nfs/dbraw/zinc/42/50/81/573425081.db2.gz ZETMYSWTYGRIJV-APPZFPTMSA-N 0 0 199.275 1.530 10 0 ADAERN C[C@H](O)[C@@H]1CN(C)c2cccc(O)c21 258024697 573425082 /nfs/dbraw/zinc/42/50/82/573425082.db2.gz JTDLKHPOPBAAGV-YUMQZZPRSA-N 0 0 193.246 1.306 10 0 ADAERN C[C@@H](O)[C@@H](C)c1nc(C2CCC2)no1 83137059 573425123 /nfs/dbraw/zinc/42/51/23/573425123.db2.gz IMOSDDFVYKGURS-RNFRBKRXSA-N 0 0 196.250 1.821 10 0 ADAERN Cn1ccc(C[C@H]2CCCC[C@@H]2O)n1 124336789 573425127 /nfs/dbraw/zinc/42/51/27/573425127.db2.gz QTUNDPKUHYAQIH-KOLCDFICSA-N 0 0 194.278 1.514 10 0 ADAERN Cn1cc(-c2cccc(N)c2)cc1N 258019326 573425142 /nfs/dbraw/zinc/42/51/42/573425142.db2.gz BWSFQBSGTBAEFM-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN C[C@H](O)CCC1([C@@H](C)O)CC1 235598798 573425147 /nfs/dbraw/zinc/42/51/47/573425147.db2.gz HXDZLTBFTBKUJO-JGVFFNPUSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@H](O)c1nc(C2CCC2)no1 83137130 573425148 /nfs/dbraw/zinc/42/51/48/573425148.db2.gz JBBXTMDSYUPHPC-YFKPBYRVSA-N 0 0 168.196 1.390 10 0 ADAERN CO[C@H](C(N)=O)[C@@H]1CCC=C[C@@H]1C 238390797 573425150 /nfs/dbraw/zinc/42/51/50/573425150.db2.gz BDUIWSMDSQGDGQ-YIZRAAEISA-N 0 0 183.251 1.089 10 0 ADAERN OCc1nc(-c2ccccc2O)c[nH]1 257811601 573425153 /nfs/dbraw/zinc/42/51/53/573425153.db2.gz BHZAVJXQHKWEQN-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN CCC(CC)[C@H](O)[C@H]1C[C@H]1OC 689953015 573425184 /nfs/dbraw/zinc/42/51/84/573425184.db2.gz ILKKENDFEUYNQB-AEJSXWLSSA-N 0 0 172.268 1.818 10 0 ADAERN COC[C@H]1CCc2cccc(O)c2N1 257811562 573425195 /nfs/dbraw/zinc/42/51/95/573425195.db2.gz BGFIZRKSTONXQB-SECBINFHSA-N 0 0 193.246 1.765 10 0 ADAERN CC(C)(C)c1onc2c1CNC2 107221826 573425233 /nfs/dbraw/zinc/42/52/33/573425233.db2.gz ANNGJDXQWKQIND-UHFFFAOYSA-N 0 0 166.224 1.575 10 0 ADAERN C[C@H]1CCCC[C@H]1N(C)C=O 83145000 573425255 /nfs/dbraw/zinc/42/52/55/573425255.db2.gz SCPLVKJYJFOEAF-DTWKUNHWSA-N 0 0 155.241 1.653 10 0 ADAERN COc1nc(N)c(C(F)F)cc1C 238390304 573425256 /nfs/dbraw/zinc/42/52/56/573425256.db2.gz VOSAQGZMXNXRFU-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CC(C)(C)n1nc2c(c1N)CCC2 83141955 573425263 /nfs/dbraw/zinc/42/52/63/573425263.db2.gz FZQNLCMQFJAXTF-UHFFFAOYSA-N 0 0 179.267 1.709 10 0 ADAERN COc1cc2c(nc1C=O)CCCC2 238390779 573425268 /nfs/dbraw/zinc/42/52/68/573425268.db2.gz BZPXRYOIXRJNQE-UHFFFAOYSA-N 0 0 191.230 1.782 10 0 ADAERN CC(C)[C@@H]1CC(=O)N(C(C)(C)C)N1 257811650 573425276 /nfs/dbraw/zinc/42/52/76/573425276.db2.gz BGJBWXWKWIGELC-QMMMGPOBSA-N 0 0 184.283 1.546 10 0 ADAERN CO[C@H](C(N)=O)c1ccc(Cl)cc1 238391751 573425280 /nfs/dbraw/zinc/42/52/80/573425280.db2.gz OUOCNBRHMXNGGJ-QMMMGPOBSA-N 0 0 199.637 1.513 10 0 ADAERN C/C(=C\c1ccco1)CO 83141764 573425305 /nfs/dbraw/zinc/42/53/05/573425305.db2.gz CETHPBHBZHLYOY-FNORWQNLSA-N 0 0 138.166 1.675 10 0 ADAERN Cn1ccc(C[C@H]2CCC[C@@H]2O)n1 124332191 573425323 /nfs/dbraw/zinc/42/53/23/573425323.db2.gz WNUDNHXCGOZHBQ-SCZZXKLOSA-N 0 0 180.251 1.124 10 0 ADAERN COc1cc(O)c(F)nc1C(F)F 238392028 573427761 /nfs/dbraw/zinc/42/77/61/573427761.db2.gz ZTVSGUPBMKHZOI-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN Cc1ccc(F)c(CON)c1O 258028747 573427764 /nfs/dbraw/zinc/42/77/64/573427764.db2.gz OXGKUFACTIRDRN-UHFFFAOYSA-N 0 0 171.171 1.230 10 0 ADAERN COCCCc1nc(C(C)=O)co1 258028296 573427779 /nfs/dbraw/zinc/42/77/79/573427779.db2.gz NTECFYVTBNRDBU-UHFFFAOYSA-N 0 0 183.207 1.456 10 0 ADAERN CN(C)c1ccc(NC=O)cc1Cl 83145569 573427781 /nfs/dbraw/zinc/42/77/81/573427781.db2.gz GIPGJODPWVEBLU-UHFFFAOYSA-N 0 0 198.653 1.974 10 0 ADAERN C[C@](O)(CCCO)c1cccc(F)c1 259448094 573427785 /nfs/dbraw/zinc/42/77/85/573427785.db2.gz VTFHNTQLMURXTA-NSHDSACASA-N 0 0 198.237 1.806 10 0 ADAERN O=CNC[C@@H]1Cc2ccccc21 83145851 573427794 /nfs/dbraw/zinc/42/77/94/573427794.db2.gz IROXJPHSLQLCOV-VIFPVBQESA-N 0 0 161.204 1.072 10 0 ADAERN Nc1ccc2oc(=O)n3c2c1CCC3 258028737 573427797 /nfs/dbraw/zinc/42/77/97/573427797.db2.gz OWUSUEOKFNKKLE-UHFFFAOYSA-N 0 0 190.202 1.123 10 0 ADAERN CN1CNC=C1[C@@H](O)c1ccccc1 144265878 573427801 /nfs/dbraw/zinc/42/78/01/573427801.db2.gz BLLDWWDDIPMPRM-NSHDSACASA-N 0 0 190.246 1.054 10 0 ADAERN C[N@@H+]1CCC[C@H](/C=C/C=C\C(=O)[O-])C1 258027464 573427822 /nfs/dbraw/zinc/42/78/22/573427822.db2.gz ILCTUMJKSDIGLH-KLXRSEBVSA-N 0 0 195.262 1.525 10 0 ADAERN CC(=O)Nc1cc(NC=O)ccc1C 83145354 573427094 /nfs/dbraw/zinc/42/70/94/573427094.db2.gz ZXUCLHCIJMUDAQ-UHFFFAOYSA-N 0 0 192.218 1.522 10 0 ADAERN O=CN[C@@H]1CCCC[C@H]1C(F)(F)F 83145323 573427099 /nfs/dbraw/zinc/42/70/99/573427099.db2.gz CIXDXUGIXRYISA-RNFRBKRXSA-N 0 0 195.184 1.854 10 0 ADAERN CON(C)CCCCCN(C)OC 308389318 573427102 /nfs/dbraw/zinc/42/71/02/573427102.db2.gz YUTAOTSZJNSJRE-UHFFFAOYSA-N 0 0 190.287 1.143 10 0 ADAERN CS[C@H](C(N)=O)c1ccc(C)cc1 238392002 573427113 /nfs/dbraw/zinc/42/71/13/573427113.db2.gz QWDHMJJAQRKRCR-VIFPVBQESA-N 0 0 195.287 1.884 10 0 ADAERN CCCN(C=O)C(C)C 83145658 573427114 /nfs/dbraw/zinc/42/71/14/573427114.db2.gz GZIQVZTXWMBKFW-UHFFFAOYSA-N 0 0 129.203 1.263 10 0 ADAERN Oc1ccc([C@]2(O)CCSC2)cc1 257811538 573427843 /nfs/dbraw/zinc/42/78/43/573427843.db2.gz BEUUMHFTOVPHRN-JTQLQIEISA-N 0 0 196.271 1.717 10 0 ADAERN Cc1cc([C@H]2CCCN2C=O)on1 83145223 573427121 /nfs/dbraw/zinc/42/71/21/573427121.db2.gz NHVFWVDRNOIASU-MRVPVSSYSA-N 0 0 180.207 1.276 10 0 ADAERN CC(C)(C)c1nsc(CO)n1 144192290 573427143 /nfs/dbraw/zinc/42/71/43/573427143.db2.gz DQYYEPIYPUVVGD-UHFFFAOYSA-N 0 0 172.253 1.328 10 0 ADAERN C[C@H]1CCCC[C@@H]1NC=O 83145694 573427149 /nfs/dbraw/zinc/42/71/49/573427149.db2.gz JPWUPDJHQMMJAT-YUMQZZPRSA-N 0 0 141.214 1.311 10 0 ADAERN CC(=O)c1nc([C@H]2CCCCN2)no1 258028259 573427160 /nfs/dbraw/zinc/42/71/60/573427160.db2.gz NSIAOYINJMJVKH-SSDOTTSWSA-N 0 0 195.222 1.087 10 0 ADAERN COC(=O)c1ccc(C)c(NC=O)c1 83145564 573427163 /nfs/dbraw/zinc/42/71/63/573427163.db2.gz PYXJEFKCBZCVMV-UHFFFAOYSA-N 0 0 193.202 1.350 10 0 ADAERN Cc1c([C@@H](C)O)cncc1[C@@H](C)O 238392890 573427189 /nfs/dbraw/zinc/42/71/89/573427189.db2.gz DVAGABDUDVZNIQ-HTQZYQBOSA-N 0 0 181.235 1.497 10 0 ADAERN C[C@H]1CCCN(CCCCO)C1=O 133763500 573427192 /nfs/dbraw/zinc/42/71/92/573427192.db2.gz RWUJPIOYDPQBCV-VIFPVBQESA-N 0 0 185.267 1.017 10 0 ADAERN Cc1cc([C@@H]2CCCN2C=O)on1 83145222 573427223 /nfs/dbraw/zinc/42/72/23/573427223.db2.gz NHVFWVDRNOIASU-QMMMGPOBSA-N 0 0 180.207 1.276 10 0 ADAERN C[C@H](CO)c1ccccc1[C@@H](C)O 238391953 573427238 /nfs/dbraw/zinc/42/72/38/573427238.db2.gz FUVQMQZBFBNGPD-RKDXNWHRSA-N 0 0 180.247 1.836 10 0 ADAERN CN(C=O)Cc1ccc(Cl)s1 83145632 573427259 /nfs/dbraw/zinc/42/72/59/573427259.db2.gz XERDGAVPGHERMT-UHFFFAOYSA-N 0 0 189.667 1.990 10 0 ADAERN CCCC[C@@H](O)C[C@H]1CO1 144178162 573427267 /nfs/dbraw/zinc/42/72/67/573427267.db2.gz JISYMTJTBAUROR-SFYZADRCSA-N 0 0 144.214 1.326 10 0 ADAERN CO[C@@H]1C(=O)CC(C)(C)C=C1C 238392738 573427270 /nfs/dbraw/zinc/42/72/70/573427270.db2.gz RMBMCEFKWWRRJJ-VIFPVBQESA-N 0 0 168.236 1.947 10 0 ADAERN Cc1cc2c(c(CON)c1C)OCO2 258027458 573427278 /nfs/dbraw/zinc/42/72/78/573427278.db2.gz IPLWZVKLRRBGIG-UHFFFAOYSA-N 0 0 195.218 1.422 10 0 ADAERN CS[C@H](C)C[C@H]1CNC(=O)C1 238392509 573427292 /nfs/dbraw/zinc/42/72/92/573427292.db2.gz KWASDPUGALVMBH-RNFRBKRXSA-N 0 0 173.281 1.264 10 0 ADAERN C[C@@H](Cc1cccs1)NC=O 83145276 573427297 /nfs/dbraw/zinc/42/72/97/573427297.db2.gz FKSCBFPNKYEBRC-ZETCQYMHSA-N 0 0 169.249 1.425 10 0 ADAERN C[C@H](c1cccs1)N(C)C=O 83145236 573427312 /nfs/dbraw/zinc/42/73/12/573427312.db2.gz LHYDJIUFNKMKCY-SSDOTTSWSA-N 0 0 169.249 1.897 10 0 ADAERN NC(=O)CCc1ccc2c(c1)CCC2 144153430 573427330 /nfs/dbraw/zinc/42/73/30/573427330.db2.gz DYBWXTVXQRFMOL-UHFFFAOYSA-N 0 0 189.258 1.593 10 0 ADAERN CO[C@@H]1C=C(CO)CCC1(C)C 238393097 573427331 /nfs/dbraw/zinc/42/73/31/573427331.db2.gz AAWFRPMUYVNFPD-SECBINFHSA-N 0 0 170.252 1.740 10 0 ADAERN CCCCOCC[C@@H]1CCCNC1=O 133750382 573427336 /nfs/dbraw/zinc/42/73/36/573427336.db2.gz KGTGDYZTLSBVBD-JTQLQIEISA-N 0 0 199.294 1.719 10 0 ADAERN O=CN1CC[C@H](c2ccccc2)C1 83145869 573427351 /nfs/dbraw/zinc/42/73/51/573427351.db2.gz CXAGMEOCMLHUOP-NSHDSACASA-N 0 0 175.231 1.632 10 0 ADAERN COc1cnc(C(F)(F)F)cn1 238392451 573427352 /nfs/dbraw/zinc/42/73/52/573427352.db2.gz GOYFQRQKJCAXEX-UHFFFAOYSA-N 0 0 178.113 1.504 10 0 ADAERN O=CNc1ccc2c(c1)CCC2 83145689 573427360 /nfs/dbraw/zinc/42/73/60/573427360.db2.gz RGBZAQBYAHTIMU-UHFFFAOYSA-N 0 0 161.204 1.744 10 0 ADAERN C[C@@H]1CNc2cc(CON)ccc21 258026921 573427361 /nfs/dbraw/zinc/42/73/61/573427361.db2.gz JUPMCNOHHSAQJN-SSDOTTSWSA-N 0 0 178.235 1.606 10 0 ADAERN CC(C)[C@H]1CC[N@H+](C/C=C\C(=O)[O-])C1 308389592 573427367 /nfs/dbraw/zinc/42/73/67/573427367.db2.gz ZBSNMFXSCUHTNQ-XOULXFPDSA-N 0 0 197.278 1.605 10 0 ADAERN CC(C)[C@H]1CC(=O)N(CCCCO)C1 133768860 573427378 /nfs/dbraw/zinc/42/73/78/573427378.db2.gz MKHGYWSODSZTDV-JTQLQIEISA-N 0 0 199.294 1.263 10 0 ADAERN C[C@@H]1C(=O)N[C@@]1(C)c1ccccc1 238392264 573427407 /nfs/dbraw/zinc/42/74/07/573427407.db2.gz NLFFHJRRPJMKLH-LDYMZIIASA-N 0 0 175.231 1.668 10 0 ADAERN Cc1ccccc1CN(C)C=O 83145742 573427433 /nfs/dbraw/zinc/42/74/33/573427433.db2.gz LEKSTGCNZLHHIE-UHFFFAOYSA-N 0 0 163.220 1.583 10 0 ADAERN O=CN1CCC[C@H]2CCCC[C@H]21 83145841 573427440 /nfs/dbraw/zinc/42/74/40/573427440.db2.gz GEKISUNTQZGQPY-NXEZZACHSA-N 0 0 167.252 1.797 10 0 ADAERN CO[C@H](C(N)=O)[C@H]1CCC=C[C@@H]1C 238392156 573427442 /nfs/dbraw/zinc/42/74/42/573427442.db2.gz BDUIWSMDSQGDGQ-CIUDSAMLSA-N 0 0 183.251 1.089 10 0 ADAERN CC(=O)Nc1ccc(F)c(NC=O)c1 83145108 573427447 /nfs/dbraw/zinc/42/74/47/573427447.db2.gz GAVOHDPTOVAOSL-UHFFFAOYSA-N 0 0 196.181 1.352 10 0 ADAERN Clc1cc2c(nn1)NCCS2 258028803 573427448 /nfs/dbraw/zinc/42/74/48/573427448.db2.gz OYHULZOJPUAQCM-UHFFFAOYSA-N 0 0 187.655 1.648 10 0 ADAERN C[C@@](O)(CCCO)c1cccc(F)c1 259448089 573427451 /nfs/dbraw/zinc/42/74/51/573427451.db2.gz VTFHNTQLMURXTA-LLVKDONJSA-N 0 0 198.237 1.806 10 0 ADAERN CCOc1cc(C)ccc1NC=O 83145556 573427454 /nfs/dbraw/zinc/42/74/54/573427454.db2.gz ZKRZUSCOUIDGRO-UHFFFAOYSA-N 0 0 179.219 1.962 10 0 ADAERN COc1c(Cl)ccc2[nH]c(=O)[nH]c12 238392314 573427455 /nfs/dbraw/zinc/42/74/55/573427455.db2.gz CTQSHMCMMMDHBR-UHFFFAOYSA-N 0 0 198.609 1.518 10 0 ADAERN C[C@H](CO)c1cc(F)ccc1N(C)C 258027799 573427456 /nfs/dbraw/zinc/42/74/56/573427456.db2.gz IVGDZEOXEKCKLH-MRVPVSSYSA-N 0 0 197.253 1.988 10 0 ADAERN COC(=O)/C=C1/CC[C@H](C)OC1 401881231 573427476 /nfs/dbraw/zinc/42/74/76/573427476.db2.gz NZPRHWSUANWTPO-BJMRUTCWSA-N 0 0 170.208 1.285 10 0 ADAERN Cc1ccc([C@@H](C)NC=O)cc1 83145535 573427478 /nfs/dbraw/zinc/42/74/78/573427478.db2.gz ZZVPBNHNTXPFNN-SECBINFHSA-N 0 0 163.220 1.802 10 0 ADAERN O=CNc1ccc2c(c1)OCCCO2 83145329 573427491 /nfs/dbraw/zinc/42/74/91/573427491.db2.gz JUAVEUWYIZLTTP-UHFFFAOYSA-N 0 0 193.202 1.416 10 0 ADAERN CC[C@@H]1c2noc(N)c2CN1C 107222722 573427497 /nfs/dbraw/zinc/42/74/97/573427497.db2.gz GAMLFBIJELULKY-ZCFIWIBFSA-N 0 0 167.212 1.153 10 0 ADAERN O=CNc1cc2c(cc1Cl)OCO2 83145216 573427503 /nfs/dbraw/zinc/42/75/03/573427503.db2.gz AHHQUAGILGKDNA-UHFFFAOYSA-N 0 0 199.593 1.637 10 0 ADAERN COC(=O)c1ccc(N)cc1SC 238393163 573427525 /nfs/dbraw/zinc/42/75/25/573427525.db2.gz NLLDVIRLWUSLBC-UHFFFAOYSA-N 0 0 197.259 1.777 10 0 ADAERN C[C@@H](O)c1cn(C)cc1[C@@H](C)O 238392433 573427533 /nfs/dbraw/zinc/42/75/33/573427533.db2.gz CTTINFKOOQPGFG-RNFRBKRXSA-N 0 0 169.224 1.132 10 0 ADAERN C[C@H](NC=O)c1ccsc1 83145913 573427539 /nfs/dbraw/zinc/42/75/39/573427539.db2.gz KBVAYRYQCOLPOB-LURJTMIESA-N 0 0 155.222 1.555 10 0 ADAERN O=CN1CCC[C@@H]2CCCC[C@@H]21 83145840 573427548 /nfs/dbraw/zinc/42/75/48/573427548.db2.gz GEKISUNTQZGQPY-UWVGGRQHSA-N 0 0 167.252 1.797 10 0 ADAERN O=c1oc2cc(CCO)ccc2s1 258027710 573427555 /nfs/dbraw/zinc/42/75/55/573427555.db2.gz ISPHNBRQIOEUTC-UHFFFAOYSA-N 0 0 196.227 1.389 10 0 ADAERN C[C@@H](NC=O)c1ccc2c(c1)OCO2 83145131 573427571 /nfs/dbraw/zinc/42/75/71/573427571.db2.gz FINRPXDOLZAVSY-SSDOTTSWSA-N 0 0 193.202 1.222 10 0 ADAERN CS[C@H](C)CCCO 238392282 573427576 /nfs/dbraw/zinc/42/75/76/573427576.db2.gz IILMSVPETAULOQ-ZCFIWIBFSA-N 0 0 134.244 1.510 10 0 ADAERN CCCN(C=O)C1CC1 83145659 573427579 /nfs/dbraw/zinc/42/75/79/573427579.db2.gz FMFRVXMJLXYQFX-UHFFFAOYSA-N 0 0 127.187 1.017 10 0 ADAERN C[C@@H]1[NH2+]CCc2cccc(C(=O)[O-])c21 238393150 573427584 /nfs/dbraw/zinc/42/75/84/573427584.db2.gz GVAAOBULEFOLBI-ZETCQYMHSA-N 0 0 191.230 1.592 10 0 ADAERN COC(=O)c1cc2ccnn2cc1C 238393459 573427593 /nfs/dbraw/zinc/42/75/93/573427593.db2.gz KHNCRJBWHXPBEP-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN Cc1noc(C(C)(C)NCCF)n1 308389083 573427594 /nfs/dbraw/zinc/42/75/94/573427594.db2.gz WYBOBNQWRBABGG-UHFFFAOYSA-N 0 0 187.218 1.172 10 0 ADAERN CCCC[S@](=O)c1ccncc1N 50478461 573427595 /nfs/dbraw/zinc/42/75/95/573427595.db2.gz XWPGIQNDLKLQPM-CYBMUJFWSA-N 0 0 198.291 1.572 10 0 ADAERN CN(C=O)[C@@H]1CCc2ccccc21 83145738 573427599 /nfs/dbraw/zinc/42/75/99/573427599.db2.gz NSNUEUAKXRIXBX-LLVKDONJSA-N 0 0 175.231 1.762 10 0 ADAERN COc1cc(C)c(NC=O)cc1OC 83145827 573427606 /nfs/dbraw/zinc/42/76/06/573427606.db2.gz GQOISDKBFLQBHC-UHFFFAOYSA-N 0 0 195.218 1.581 10 0 ADAERN C=C=C(C(=O)OC)[C@@H](O)CCC 137580425 573427616 /nfs/dbraw/zinc/42/76/16/573427616.db2.gz KDNWWZWKOSYWMY-QMMMGPOBSA-N 0 0 170.208 1.032 10 0 ADAERN CO[C@@H]1C=CCC[C@@]1(C)CO 238393438 573427626 /nfs/dbraw/zinc/42/76/26/573427626.db2.gz PCHGMIAFNLHMSH-BDAKNGLRSA-N 0 0 156.225 1.350 10 0 ADAERN C/C=C/c1c(C)nc(N)nc1OC 238392411 573427634 /nfs/dbraw/zinc/42/76/34/573427634.db2.gz XGGYNUUBCKUADA-SNAWJCMRSA-N 0 0 179.223 1.409 10 0 ADAERN CC[C@H]1CCCC[C@@H]1NC=O 83145133 573427635 /nfs/dbraw/zinc/42/76/35/573427635.db2.gz VMEDJICJWKKBOM-IUCAKERBSA-N 0 0 155.241 1.701 10 0 ADAERN CCOC(=O)NCC[C@@H](O)C(C)C 308389027 573427638 /nfs/dbraw/zinc/42/76/38/573427638.db2.gz YSTGXNKIYKQDEH-MRVPVSSYSA-N 0 0 189.255 1.140 10 0 ADAERN CS(=O)(=O)c1ccc2n1CCCC2 238392185 573427639 /nfs/dbraw/zinc/42/76/39/573427639.db2.gz LNHQASULSQYGOI-UHFFFAOYSA-N 0 0 199.275 1.228 10 0 ADAERN O=CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 83145447 573427642 /nfs/dbraw/zinc/42/76/42/573427642.db2.gz ZXFRBPWXXKBRQB-RNFRBKRXSA-N 0 0 195.184 1.854 10 0 ADAERN CC(=O)Nc1ccc(NC=O)cc1C 83145110 573427660 /nfs/dbraw/zinc/42/76/60/573427660.db2.gz SDRNWBZVZYACHK-UHFFFAOYSA-N 0 0 192.218 1.522 10 0 ADAERN CCOc1cc(NC=O)ccc1OC 83145318 573427666 /nfs/dbraw/zinc/42/76/66/573427666.db2.gz IUYYMMZHXSNNBG-UHFFFAOYSA-N 0 0 195.218 1.662 10 0 ADAERN Cc1ccc([C@H](C)NC=O)cc1 83145536 573427673 /nfs/dbraw/zinc/42/76/73/573427673.db2.gz ZZVPBNHNTXPFNN-VIFPVBQESA-N 0 0 163.220 1.802 10 0 ADAERN CCc1c(N)nn(C)c1C(F)(F)F 257811593 573427679 /nfs/dbraw/zinc/42/76/79/573427679.db2.gz BHRPVUIDSPNOBP-UHFFFAOYSA-N 0 0 193.172 1.584 10 0 ADAERN O=CN1CC[C@@H]2CCCC[C@@H]2C1 83145835 573427687 /nfs/dbraw/zinc/42/76/87/573427687.db2.gz IUBQDJAXNCLFHP-VHSXEESVSA-N 0 0 167.252 1.655 10 0 ADAERN CC(C)[C@@H]([NH2+]CCC(F)F)C(=O)[O-] 308382419 573427690 /nfs/dbraw/zinc/42/76/90/573427690.db2.gz RHNISDRZDFYMJL-SSDOTTSWSA-N 0 0 195.209 1.340 10 0 ADAERN C[C@@H](O)c1ccc(F)c2c1OCO2 258030217 573427695 /nfs/dbraw/zinc/42/76/95/573427695.db2.gz IWWJRWPUTRQGGJ-RXMQYKEDSA-N 0 0 184.166 1.608 10 0 ADAERN CCOC(=O)NOCC(F)(F)F 133793433 573427710 /nfs/dbraw/zinc/42/77/10/573427710.db2.gz NERMDZLGLLOFMR-UHFFFAOYSA-N 0 0 187.117 1.226 10 0 ADAERN CCC1=[NH+][C@@H]2CC[C@H](C(=O)[O-])C[C@H]2N1 258028746 573427712 /nfs/dbraw/zinc/42/77/12/573427712.db2.gz QIYMJXXQXKWIHL-XLPZGREQSA-N 0 0 196.250 1.020 10 0 ADAERN CC(=O)Cc1ccc(C)c2c1OCO2 258027682 573427719 /nfs/dbraw/zinc/42/77/19/573427719.db2.gz ISEBHTCTPYPFRH-UHFFFAOYSA-N 0 0 192.214 1.855 10 0 ADAERN Cc1ccccc1C[C@@H](C)NC=O 83145553 573427722 /nfs/dbraw/zinc/42/77/22/573427722.db2.gz VZESAHDQZGOLJK-SNVBAGLBSA-N 0 0 177.247 1.672 10 0 ADAERN C[C@H](O)c1cc(Cl)ccc1CO 144191406 573427724 /nfs/dbraw/zinc/42/77/24/573427724.db2.gz VXUBSYMOZUEHFT-LURJTMIESA-N 0 0 186.638 1.886 10 0 ADAERN NOCCc1ccccc1CF 258026759 573427733 /nfs/dbraw/zinc/42/77/33/573427733.db2.gz OQZKYEFEGSEWBD-UHFFFAOYSA-N 0 0 169.199 1.589 10 0 ADAERN CCCCOCC[C@H]1CCCNC1=O 133750598 573427734 /nfs/dbraw/zinc/42/77/34/573427734.db2.gz KGTGDYZTLSBVBD-SNVBAGLBSA-N 0 0 199.294 1.719 10 0 ADAERN COC(=O)/C=C\N1CC[C@H](C(C)C)C1 308389624 573427737 /nfs/dbraw/zinc/42/77/37/573427737.db2.gz ZGXVEBQYFAVZAB-BXKUYDPTSA-N 0 0 197.278 1.651 10 0 ADAERN CC(C)c1ccc(CCON)c(O)c1 258027497 573427741 /nfs/dbraw/zinc/42/77/41/573427741.db2.gz IPXPSHOQDKWOQO-UHFFFAOYSA-N 0 0 195.262 1.948 10 0 ADAERN COc1cc(O)c(=O)[nH]c1C(F)F 238392709 573427742 /nfs/dbraw/zinc/42/77/42/573427742.db2.gz LQNTXIFCWGDTTN-UHFFFAOYSA-N 0 0 191.133 1.439 10 0 ADAERN C[C@H](O)Cc1ccccc1CCCO 259448041 573427750 /nfs/dbraw/zinc/42/77/50/573427750.db2.gz MHPDGXCBSQDQEX-JTQLQIEISA-N 0 0 194.274 1.535 10 0 ADAERN O=CNc1ccc2c(c1)CCO2 83145338 573427755 /nfs/dbraw/zinc/42/77/55/573427755.db2.gz UNHGYXYRAMLSFE-UHFFFAOYSA-N 0 0 163.176 1.190 10 0 ADAERN O=CN1CCC[C@@H]1C1CCCC1 83146158 573431383 /nfs/dbraw/zinc/43/13/83/573431383.db2.gz GPVNLUIBZSHUBJ-SNVBAGLBSA-N 0 0 167.252 1.797 10 0 ADAERN Clc1cnnc(C[C@@H]2CCCO2)c1 259447958 573431391 /nfs/dbraw/zinc/43/13/91/573431391.db2.gz MGQGOPWAFBLYSZ-VIFPVBQESA-N 0 0 198.653 1.852 10 0 ADAERN CC(C)[C@@H]1NCc2c1noc2N 107222710 573431395 /nfs/dbraw/zinc/43/13/95/573431395.db2.gz HDTSKKRQAXKPAF-LURJTMIESA-N 0 0 167.212 1.057 10 0 ADAERN C[C@H](O)[C@@H](O)C[C@@H]1Cc2ccccc21 235599527 573431397 /nfs/dbraw/zinc/43/13/97/573431397.db2.gz JGPHDJCSCWOCIC-PEXQALLHSA-N 0 0 192.258 1.458 10 0 ADAERN CC(=O)OCCCC(C)(C)CO 137575181 573431400 /nfs/dbraw/zinc/43/14/00/573431400.db2.gz MVRVTNNXKXHIIW-UHFFFAOYSA-N 0 0 174.240 1.348 10 0 ADAERN Oc1cccc(C(F)(F)[C@H]2CCN2)c1 257812169 573431406 /nfs/dbraw/zinc/43/14/06/573431406.db2.gz AGTZZAZWAAKLJJ-SECBINFHSA-N 0 0 199.200 1.846 10 0 ADAERN O=CNCc1ccc(F)c(F)c1 83146179 573431412 /nfs/dbraw/zinc/43/14/12/573431412.db2.gz QOYFMFYPYGIBPH-UHFFFAOYSA-N 0 0 171.146 1.211 10 0 ADAERN CC(C)[C@@H]1NCc2c(N)noc21 107222678 573431421 /nfs/dbraw/zinc/43/14/21/573431421.db2.gz OJHMOTACJLPQPA-LURJTMIESA-N 0 0 167.212 1.057 10 0 ADAERN O=CNCc1ccc(Cl)s1 83146269 573431431 /nfs/dbraw/zinc/43/14/31/573431431.db2.gz GHTLRTOMHWCBKO-UHFFFAOYSA-N 0 0 175.640 1.648 10 0 ADAERN ONCc1ccccc1[C@H]1CCOC1 258030331 573431441 /nfs/dbraw/zinc/43/14/41/573431441.db2.gz IZMNNVCVAVPOIA-JTQLQIEISA-N 0 0 193.246 1.669 10 0 ADAERN CC(C)(C)c1cn2c(n1)CC[C@@H](O)C2 257812304 573430656 /nfs/dbraw/zinc/43/06/56/573430656.db2.gz BRFZYJKKCYSBBO-MRVPVSSYSA-N 0 0 194.278 1.488 10 0 ADAERN C[C@@H]1C(=O)O[C@@H](O)C1(C1CC1)C1CC1 238393233 573430662 /nfs/dbraw/zinc/43/06/62/573430662.db2.gz NDMYWHFWDITRPD-LHLIQPBNSA-N 0 0 196.246 1.304 10 0 ADAERN CC(=O)C1(C(C)=O)N=NC[C@H]1C 238393228 573430676 /nfs/dbraw/zinc/43/06/76/573430676.db2.gz PTRWSZYWVKJPDB-RXMQYKEDSA-N 0 0 168.196 1.005 10 0 ADAERN Cn1nc2c(c1Cl)CSC2 107225974 573430689 /nfs/dbraw/zinc/43/06/89/573430689.db2.gz ANVZIBXJRASFLO-UHFFFAOYSA-N 0 0 174.656 1.820 10 0 ADAERN COc1cc2c(cc1C)[C@H](O)CC2 238392707 573430690 /nfs/dbraw/zinc/43/06/90/573430690.db2.gz AELVGXWJTLNPGX-SNVBAGLBSA-N 0 0 178.231 1.983 10 0 ADAERN COC[C@]12CCC[C@@H]1C(=O)C2 238393347 573430695 /nfs/dbraw/zinc/43/06/95/573430695.db2.gz QUFVXXFBQLBVHQ-VXNVDRBHSA-N 0 0 154.209 1.392 10 0 ADAERN CON[C@H](C)c1cccc(OC)c1 133761466 573430705 /nfs/dbraw/zinc/43/07/05/573430705.db2.gz JDCDANJXOPLNSS-MRVPVSSYSA-N 0 0 181.235 1.907 10 0 ADAERN CO[C@@H]1C(=O)C[C@H]2C=C[C@@H]1C2 238393220 573430708 /nfs/dbraw/zinc/43/07/08/573430708.db2.gz WOPONMKOWRVMRK-OOZYFLPDSA-N 0 0 152.193 1.167 10 0 ADAERN C[C@H](Cc1ccc(F)cc1)NC=O 83146089 573430715 /nfs/dbraw/zinc/43/07/15/573430715.db2.gz QFYXSRNCSZBTIE-MRVPVSSYSA-N 0 0 181.210 1.503 10 0 ADAERN C[C@@H](O)c1cc(Cl)ccc1CO 144191214 573430719 /nfs/dbraw/zinc/43/07/19/573430719.db2.gz VXUBSYMOZUEHFT-ZCFIWIBFSA-N 0 0 186.638 1.886 10 0 ADAERN CO[C@@H]1C(=O)N(C)c2ccccc21 238392798 573430722 /nfs/dbraw/zinc/43/07/22/573430722.db2.gz XAOLGMLDLJVHFQ-VIFPVBQESA-N 0 0 177.203 1.351 10 0 ADAERN CCN1C(=O)CNc2cc(O)ccc21 257811814 573430751 /nfs/dbraw/zinc/43/07/51/573430751.db2.gz BITDNDDSGRCCMJ-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN Cc1ccc(C)c(C[C@H](O)[C@H](C)O)c1 235599845 573430788 /nfs/dbraw/zinc/43/07/88/573430788.db2.gz SSVRIMLSGIMMAJ-JQWIXIFHSA-N 0 0 194.274 1.588 10 0 ADAERN Cc1csc([C@@H](C)NC=O)n1 83146279 573430798 /nfs/dbraw/zinc/43/07/98/573430798.db2.gz RHGDJYKZQFKYJA-ZCFIWIBFSA-N 0 0 170.237 1.259 10 0 ADAERN CC(C)[C@H]1C(=O)CCN1C1CC1 107223113 573430818 /nfs/dbraw/zinc/43/08/18/573430818.db2.gz MLKKDGPCRRGERQ-JTQLQIEISA-N 0 0 167.252 1.448 10 0 ADAERN COC(=O)[C@@H](F)c1ccc(O)cc1 257811983 573430835 /nfs/dbraw/zinc/43/08/35/573430835.db2.gz BIQRKWBWBLCTKF-QMMMGPOBSA-N 0 0 184.166 1.576 10 0 ADAERN CCc1ccccc1-n1cc(N)nn1 86454055 573430836 /nfs/dbraw/zinc/43/08/36/573430836.db2.gz UTLTXCNLUZLPLB-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN Cc1occc1CN(C)C=O 83146244 573430843 /nfs/dbraw/zinc/43/08/43/573430843.db2.gz VZRURUWBUPEUBL-UHFFFAOYSA-N 0 0 153.181 1.176 10 0 ADAERN C[N@@H+]1CCC[C@H]1C/C=C\C(=O)[O-] 258031420 573430855 /nfs/dbraw/zinc/43/08/55/573430855.db2.gz CCRFXKLGXANIMQ-IBWXWUTPSA-N 0 0 169.224 1.112 10 0 ADAERN CC(C)NC(=O)Cc1ccn(C)c1 74962498 573430856 /nfs/dbraw/zinc/43/08/56/573430856.db2.gz CTZXJEWSDSZGEC-UHFFFAOYSA-N 0 0 180.251 1.092 10 0 ADAERN Cc1ccc([C@@H](C)NC=O)s1 83146160 573430873 /nfs/dbraw/zinc/43/08/73/573430873.db2.gz JSWXKUUPHGYYQN-SSDOTTSWSA-N 0 0 169.249 1.864 10 0 ADAERN CCC[C@@H]1CC(=O)N(CCCCO)C1 133774988 573430875 /nfs/dbraw/zinc/43/08/75/573430875.db2.gz MDOUIPWUDWJIPX-SNVBAGLBSA-N 0 0 199.294 1.408 10 0 ADAERN NC1(C(F)(F)c2cccc(O)c2)CC1 257812190 573430888 /nfs/dbraw/zinc/43/08/88/573430888.db2.gz AHVMMZQUUWUYNE-UHFFFAOYSA-N 0 0 199.200 1.975 10 0 ADAERN C[C@H]1SCc2c1nc[nH]c2=O 107223450 573430891 /nfs/dbraw/zinc/43/08/91/573430891.db2.gz VRKTZNMKCWPGPI-SCSAIBSYSA-N 0 0 168.221 1.490 10 0 ADAERN COC(=O)[C@@H]1[C@H](C)[C@H]1c1cccnc1 259611443 573430892 /nfs/dbraw/zinc/43/08/92/573430892.db2.gz MUOZIKSBRBGZGP-FKTZTGRPSA-N 0 0 191.230 1.604 10 0 ADAERN CN(C=O)CC1CCCC1 83145926 573430907 /nfs/dbraw/zinc/43/09/07/573430907.db2.gz TWCNETKEWFURDI-UHFFFAOYSA-N 0 0 141.214 1.265 10 0 ADAERN Nc1cn(-c2cccc(F)c2F)nn1 86454293 573430910 /nfs/dbraw/zinc/43/09/10/573430910.db2.gz XPANSWHYRKZODM-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CCC(CC)[C@H](C)NC=O 83145948 573430915 /nfs/dbraw/zinc/43/09/15/573430915.db2.gz UPGHCMPAMZAQEY-ZETCQYMHSA-N 0 0 143.230 1.557 10 0 ADAERN CC1CCC(CCNC=O)CC1 83145994 573430919 /nfs/dbraw/zinc/43/09/19/573430919.db2.gz BOFAINNTBROXPC-UHFFFAOYSA-N 0 0 169.268 1.949 10 0 ADAERN CC(C)(CO)c1cccc(CCO)c1 259447944 573430924 /nfs/dbraw/zinc/43/09/24/573430924.db2.gz MGFMKFSJHZSJOB-UHFFFAOYSA-N 0 0 194.274 1.491 10 0 ADAERN C[C@@H]1CC[C@H](NC=O)[C@@H]1C 83146327 573430939 /nfs/dbraw/zinc/43/09/39/573430939.db2.gz JLJHHENINHCOCS-PRJMDXOYSA-N 0 0 141.214 1.167 10 0 ADAERN CCC[C@@H](F)c1nc[nH]c(=O)c1C 144144685 573430954 /nfs/dbraw/zinc/43/09/54/573430954.db2.gz FQXHSKXWTLHOHK-SSDOTTSWSA-N 0 0 184.214 1.889 10 0 ADAERN C[C@@H]1C(=O)NC12CCCCC2 238391936 573430979 /nfs/dbraw/zinc/43/09/79/573430979.db2.gz KLRYPJGCWGVEJY-SSDOTTSWSA-N 0 0 153.225 1.455 10 0 ADAERN COCCCC[C@@H]1CCCNC1=O 133774297 573430983 /nfs/dbraw/zinc/43/09/83/573430983.db2.gz OONVWDACAMOWKW-SECBINFHSA-N 0 0 185.267 1.329 10 0 ADAERN C[C@@H](O)CCNOC1CCCC1 133743275 573431004 /nfs/dbraw/zinc/43/10/04/573431004.db2.gz BNOYVEOCPQGLLU-MRVPVSSYSA-N 0 0 173.256 1.221 10 0 ADAERN C[C@H]1CCCC[C@H]1CNC=O 83146140 573431006 /nfs/dbraw/zinc/43/10/06/573431006.db2.gz NBLQRJUPPJANCV-IUCAKERBSA-N 0 0 155.241 1.559 10 0 ADAERN CC1(C)CCN(C=O)CC1 83146082 573431025 /nfs/dbraw/zinc/43/10/25/573431025.db2.gz YKFJIMKHBXLAOR-UHFFFAOYSA-N 0 0 141.214 1.265 10 0 ADAERN CC[C@H](C)NCc1cnsn1 86454019 573431053 /nfs/dbraw/zinc/43/10/53/573431053.db2.gz RTDAUGDKFCIJFW-LURJTMIESA-N 0 0 171.269 1.426 10 0 ADAERN CCCCNC(=O)Cc1cc[nH]c1 74962877 573431055 /nfs/dbraw/zinc/43/10/55/573431055.db2.gz MMJLVQIGEUZIOO-UHFFFAOYSA-N 0 0 180.251 1.474 10 0 ADAERN CC(C)Oc1ncccc1NC=O 83146196 573431057 /nfs/dbraw/zinc/43/10/57/573431057.db2.gz WFTLMFOQGSKRDF-UHFFFAOYSA-N 0 0 180.207 1.437 10 0 ADAERN COC[C@@H]1CCOc2cc(N)ccc21 257811905 573431068 /nfs/dbraw/zinc/43/10/68/573431068.db2.gz BMTOZOXEMNSZBV-QMMMGPOBSA-N 0 0 193.246 1.781 10 0 ADAERN Cc1cc(C)cc(-n2cc(N)nn2)c1 86454143 573431072 /nfs/dbraw/zinc/43/10/72/573431072.db2.gz GGAPSGOCFODIHS-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN COc1cc(=O)oc(C)c1C(C)=O 38234589 573431079 /nfs/dbraw/zinc/43/10/79/573431079.db2.gz HJCDDONWKNVSRK-UHFFFAOYSA-N 0 0 182.175 1.159 10 0 ADAERN CCc1c(N)nnn1-c1ccccc1 86454152 573431101 /nfs/dbraw/zinc/43/11/01/573431101.db2.gz YCOKAYHPNBXODX-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN CC(C)[C@@H]1C(=O)CCN1C1CC1 107223109 573431116 /nfs/dbraw/zinc/43/11/16/573431116.db2.gz MLKKDGPCRRGERQ-SNVBAGLBSA-N 0 0 167.252 1.448 10 0 ADAERN COc1nc(C)c(Cl)cc1C=O 257812068 573431118 /nfs/dbraw/zinc/43/11/18/573431118.db2.gz BLLOKSNVCQFUGV-UHFFFAOYSA-N 0 0 185.610 1.865 10 0 ADAERN CC(C)CCNC(=O)Cc1cc[nH]c1 74963062 573431144 /nfs/dbraw/zinc/43/11/44/573431144.db2.gz HDDREQYRHACAMZ-UHFFFAOYSA-N 0 0 194.278 1.720 10 0 ADAERN C[C@H]1CC(NC=O)C[C@H](C)C1 83146318 573431146 /nfs/dbraw/zinc/43/11/46/573431146.db2.gz IHQLGPZDKFHPMH-HTQZYQBOSA-N 0 0 155.241 1.557 10 0 ADAERN CCC[C@H](F)c1nc[nH]c(=O)c1C 144144907 573431162 /nfs/dbraw/zinc/43/11/62/573431162.db2.gz FQXHSKXWTLHOHK-ZETCQYMHSA-N 0 0 184.214 1.889 10 0 ADAERN CC[NH2+][C@H](C(=O)[O-])C1(C)CCC1 686131387 573431184 /nfs/dbraw/zinc/43/11/84/573431184.db2.gz RCTWDKOYIFAXQY-SSDOTTSWSA-N 0 0 171.240 1.239 10 0 ADAERN CC[C@@H]1C(=O)CCCN1C1CC1 107223116 573431186 /nfs/dbraw/zinc/43/11/86/573431186.db2.gz FLNYFODCJORNKA-SECBINFHSA-N 0 0 167.252 1.592 10 0 ADAERN C[C@H](O)CCC(=O)NC[C@@H](C)C1CC1 133794447 573431193 /nfs/dbraw/zinc/43/11/93/573431193.db2.gz QDGNBTDQUUJQSM-BDAKNGLRSA-N 0 0 199.294 1.310 10 0 ADAERN COc1c(Cl)ccc2ccnn12 238393056 573431200 /nfs/dbraw/zinc/43/12/00/573431200.db2.gz XWLJJUAKFBYUMY-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN CCc1cccc(C(=O)CN)c1 144189830 573431230 /nfs/dbraw/zinc/43/12/30/573431230.db2.gz XSLQUPNRFMVJFM-UHFFFAOYSA-N 0 0 163.220 1.390 10 0 ADAERN COC(=O)c1cc2ccnn2cc1F 238393503 573431231 /nfs/dbraw/zinc/43/12/31/573431231.db2.gz NATCQNCZFYXCPT-UHFFFAOYSA-N 0 0 194.165 1.260 10 0 ADAERN COc1cc(O)ccc1CC1(O)CC1 258030361 573431234 /nfs/dbraw/zinc/43/12/34/573431234.db2.gz JAKSHGOYRBTZDN-UHFFFAOYSA-N 0 0 194.230 1.468 10 0 ADAERN NOCc1cc2c(cc1F)CCC2 258031168 573431255 /nfs/dbraw/zinc/43/12/55/573431255.db2.gz PECJCKDAXAXBQY-UHFFFAOYSA-N 0 0 181.210 1.705 10 0 ADAERN CC(C)(O)COc1cc(F)ccc1N 118830100 573431259 /nfs/dbraw/zinc/43/12/59/573431259.db2.gz DZFKYSMUGOWSBU-UHFFFAOYSA-N 0 0 199.225 1.558 10 0 ADAERN O=CNc1nc(C2CC2)cs1 83146226 573431270 /nfs/dbraw/zinc/43/12/70/573431270.db2.gz UXDCCHUTSHPVBW-UHFFFAOYSA-N 0 0 168.221 1.589 10 0 ADAERN COCC1(C[C@H]2CCNC2=O)CCC1 308581632 573431284 /nfs/dbraw/zinc/43/12/84/573431284.db2.gz PLFJGXIOSVJAON-SECBINFHSA-N 0 0 197.278 1.329 10 0 ADAERN C[C@@H]1CC[C@@H](NC=O)[C@H](C)C1 83145956 573431287 /nfs/dbraw/zinc/43/12/87/573431287.db2.gz OBCXIPNUXNFAML-IWSPIJDZSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@@](O)(CO)C1CCCCCC1 257812400 573431291 /nfs/dbraw/zinc/43/12/91/573431291.db2.gz BPHUAKHEJKRIEE-SNVBAGLBSA-N 0 0 172.268 1.700 10 0 ADAERN CSc1nnc2c(n1)NC=C(C)N2 238393596 573431295 /nfs/dbraw/zinc/43/12/95/573431295.db2.gz YRDGSPMMJOMLGH-UHFFFAOYSA-N 0 0 195.251 1.292 10 0 ADAERN CC(=O)C[C@H]1C[C@@H]1C 144171908 573431316 /nfs/dbraw/zinc/43/13/16/573431316.db2.gz PKMDCJHRWGCLQC-CAHLUQPWSA-N 0 0 112.172 1.622 10 0 ADAERN C[C@@H](Cc1ccc(F)cc1)NC=O 83146088 573431324 /nfs/dbraw/zinc/43/13/24/573431324.db2.gz QFYXSRNCSZBTIE-QMMMGPOBSA-N 0 0 181.210 1.503 10 0 ADAERN CC[C@H]1c2onc(N)c2CN1C 107222694 573431327 /nfs/dbraw/zinc/43/13/27/573431327.db2.gz HOPANNXPDWKSHW-LURJTMIESA-N 0 0 167.212 1.153 10 0 ADAERN CC(=O)c1cnnn1[C@H](C)C(C)C 144125885 573431361 /nfs/dbraw/zinc/43/13/61/573431361.db2.gz DOJRKEKKXBUCBR-SSDOTTSWSA-N 0 0 181.239 1.698 10 0 ADAERN C[C@H](Cc1ccsc1)NC=O 83146212 573434913 /nfs/dbraw/zinc/43/49/13/573434913.db2.gz FNUVEROGDZHUAA-SSDOTTSWSA-N 0 0 169.249 1.425 10 0 ADAERN C[C@@H]1CCCC[C@@H]1CNC=O 83146135 573434141 /nfs/dbraw/zinc/43/41/41/573434141.db2.gz NBLQRJUPPJANCV-RKDXNWHRSA-N 0 0 155.241 1.559 10 0 ADAERN COc1nc(NN)ccc1Cl 238393683 573434147 /nfs/dbraw/zinc/43/41/47/573434147.db2.gz MRIDGVMGZOYZFO-UHFFFAOYSA-N 0 0 173.603 1.029 10 0 ADAERN CC(C)Cc1onc2c1CCNC2 107227372 573434156 /nfs/dbraw/zinc/43/41/56/573434156.db2.gz IZHCUNSFAGETDD-UHFFFAOYSA-N 0 0 180.251 1.519 10 0 ADAERN CO[C@@H]1C=CC[C@@H](C)[C@@H]1C(C)=O 238393624 573434918 /nfs/dbraw/zinc/43/49/18/573434918.db2.gz DKPPPHYEHPPLFD-SZEHBUNVSA-N 0 0 168.236 1.803 10 0 ADAERN CC[C@H](C)NC(=O)Cc1cc[nH]c1 74962883 573434161 /nfs/dbraw/zinc/43/41/61/573434161.db2.gz JNBPKFGSENGUAA-QMMMGPOBSA-N 0 0 180.251 1.472 10 0 ADAERN COC/C=C/CC[C@@H](C)O 238394595 573434185 /nfs/dbraw/zinc/43/41/85/573434185.db2.gz OBVPXVHZPSPSAV-RYEJSQLPSA-N 0 0 144.214 1.350 10 0 ADAERN CCCc1cc(N)cnn1 258030880 573434219 /nfs/dbraw/zinc/43/42/19/573434219.db2.gz SIRWDXKMEVXEOA-UHFFFAOYSA-N 0 0 137.186 1.011 10 0 ADAERN CCN(C=O)c1ccccc1F 83146151 573434242 /nfs/dbraw/zinc/43/42/42/573434242.db2.gz JLRUCVKKKSEORS-UHFFFAOYSA-N 0 0 167.183 1.808 10 0 ADAERN CCCCC[NH2+]C[C@@H]1C[C@@H]1C(=O)[O-] 258649311 573434262 /nfs/dbraw/zinc/43/42/62/573434262.db2.gz MNIQWJWOETYHLO-IUCAKERBSA-N 0 0 185.267 1.487 10 0 ADAERN CC(C)(C)c1cn2c(n1)CC[C@H](O)C2 257812305 573434270 /nfs/dbraw/zinc/43/42/70/573434270.db2.gz BRFZYJKKCYSBBO-QMMMGPOBSA-N 0 0 194.278 1.488 10 0 ADAERN CC(C)[C@H]1NCc2c(N)noc21 107222675 573434277 /nfs/dbraw/zinc/43/42/77/573434277.db2.gz OJHMOTACJLPQPA-ZCFIWIBFSA-N 0 0 167.212 1.057 10 0 ADAERN C[C@H](O)CCNOC(C)(C)C 133728074 573434306 /nfs/dbraw/zinc/43/43/06/573434306.db2.gz XHCRZMPWWPWRLP-ZETCQYMHSA-N 0 0 161.245 1.077 10 0 ADAERN O=C(Cc1cc[nH]c1)N1CCCCC1 74962888 573434313 /nfs/dbraw/zinc/43/43/13/573434313.db2.gz FGXAKOSXVGCLLR-UHFFFAOYSA-N 0 0 192.262 1.570 10 0 ADAERN CC(=O)[C@H](C)NC(=O)C(C)(C)C 83152226 573434317 /nfs/dbraw/zinc/43/43/17/573434317.db2.gz QRVIKTWONGIKIJ-LURJTMIESA-N 0 0 171.240 1.126 10 0 ADAERN COc1cc(O)cc(CC(C)=O)c1 238394185 573434321 /nfs/dbraw/zinc/43/43/21/573434321.db2.gz LYFSRCGBWTVNBZ-UHFFFAOYSA-N 0 0 180.203 1.532 10 0 ADAERN Nc1cc(N2CC=CC2)c(F)cc1F 118882173 573434328 /nfs/dbraw/zinc/43/43/28/573434328.db2.gz MDDWNTXJULGBLA-UHFFFAOYSA-N 0 0 196.200 1.923 10 0 ADAERN COc1ccc2c(c1)[C@H](O)CCC2=O 238394335 573434329 /nfs/dbraw/zinc/43/43/29/573434329.db2.gz XUTUPEUVQXNQRA-LLVKDONJSA-N 0 0 192.214 1.705 10 0 ADAERN C[C@H]1CCCN(C=O)CC1 83145940 573434342 /nfs/dbraw/zinc/43/43/42/573434342.db2.gz GCXLXXOIXXUUMQ-QMMMGPOBSA-N 0 0 141.214 1.265 10 0 ADAERN CC(C)(C)n1nc(C=O)c2c1CCC2 257812333 573434349 /nfs/dbraw/zinc/43/43/49/573434349.db2.gz BSVKRGPOOVRFIY-UHFFFAOYSA-N 0 0 192.262 1.939 10 0 ADAERN COC(=O)c1sccc1[C@H](C)O 144271181 573434361 /nfs/dbraw/zinc/43/43/61/573434361.db2.gz VDDIIWDQELDKBX-YFKPBYRVSA-N 0 0 186.232 1.588 10 0 ADAERN CC(=O)CNC(=O)c1cc(C)oc1C 83152008 573434413 /nfs/dbraw/zinc/43/44/13/573434413.db2.gz YSALGGQUJOPZMJ-UHFFFAOYSA-N 0 0 195.218 1.215 10 0 ADAERN CCCCC[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 258649306 573434423 /nfs/dbraw/zinc/43/44/23/573434423.db2.gz MNIQWJWOETYHLO-DTWKUNHWSA-N 0 0 185.267 1.487 10 0 ADAERN Cc1ccc(C[C@H](C)NC=O)s1 83146301 573434430 /nfs/dbraw/zinc/43/44/30/573434430.db2.gz SSQCNVMDXXMOKB-ZETCQYMHSA-N 0 0 183.276 1.734 10 0 ADAERN CC[C@H](C)NC(=O)Cc1ccn(C)c1 74962508 573434446 /nfs/dbraw/zinc/43/44/46/573434446.db2.gz FFHIDZTZDRFWMI-VIFPVBQESA-N 0 0 194.278 1.482 10 0 ADAERN C[C@@]1(C[C@H]2CCCCO2)CNC(=O)O1 258652504 573434460 /nfs/dbraw/zinc/43/44/60/573434460.db2.gz XAOOUTSOMFYHAK-PSASIEDQSA-N 0 0 199.250 1.444 10 0 ADAERN CC[C@H](N[C@H]1C[C@@H]1C1CC1)C(=O)OC 308581437 573434468 /nfs/dbraw/zinc/43/44/68/573434468.db2.gz GQAKMCVJDCZYAU-UTLUCORTSA-N 0 0 197.278 1.326 10 0 ADAERN Cn1nc2c(c1Cl)COCC2 107225764 573434484 /nfs/dbraw/zinc/43/44/84/573434484.db2.gz WUAHRMSTFLXKHM-UHFFFAOYSA-N 0 0 172.615 1.146 10 0 ADAERN C[C@@H]1CCCC[C@H]1CNC=O 83146139 573434504 /nfs/dbraw/zinc/43/45/04/573434504.db2.gz NBLQRJUPPJANCV-BDAKNGLRSA-N 0 0 155.241 1.559 10 0 ADAERN Cn1ccc(CC(=O)N2CCCC2)c1 74962510 573434505 /nfs/dbraw/zinc/43/45/05/573434505.db2.gz IYRLZLSSRRDTNT-UHFFFAOYSA-N 0 0 192.262 1.190 10 0 ADAERN C[C@@H]1NCCn2cnc(Cl)c21 238393748 573434521 /nfs/dbraw/zinc/43/45/21/573434521.db2.gz SIJXUDZCWXDNKZ-YFKPBYRVSA-N 0 0 171.631 1.201 10 0 ADAERN COc1cc(CNO)cc(C)c1O 258030365 573434549 /nfs/dbraw/zinc/43/45/49/573434549.db2.gz JAOMOGIPWUJWBR-UHFFFAOYSA-N 0 0 183.207 1.188 10 0 ADAERN CS[C@H](O)C(=O)c1cccc(C)c1 238394059 573434558 /nfs/dbraw/zinc/43/45/58/573434558.db2.gz XTZNGCLDFAGXRL-JTQLQIEISA-N 0 0 196.271 1.859 10 0 ADAERN CN(C(=O)C1(CO)CCC1)C(C)(C)C 258652436 573434566 /nfs/dbraw/zinc/43/45/66/573434566.db2.gz AUSRVPUDUZHTRH-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H](O)c1ccc(C2=NCCO2)cc1 118868290 573434577 /nfs/dbraw/zinc/43/45/77/573434577.db2.gz QDAHMHYJWPJMOR-QMMMGPOBSA-N 0 0 191.230 1.517 10 0 ADAERN CC(=O)[C@@H](C)NC(=O)c1ccoc1C 83152155 573434604 /nfs/dbraw/zinc/43/46/04/573434604.db2.gz UHDDLBRTVSOWIR-ZCFIWIBFSA-N 0 0 195.218 1.295 10 0 ADAERN CC[C@@H]1CCCN(C=O)CC1 83146303 573434611 /nfs/dbraw/zinc/43/46/11/573434611.db2.gz CACQJZAWFOQZFD-SECBINFHSA-N 0 0 155.241 1.655 10 0 ADAERN CC(=O)[C@H](F)[C@H]1CCCOC1 258649483 573434620 /nfs/dbraw/zinc/43/46/20/573434620.db2.gz ZIABRVMTGCKXLY-YUMQZZPRSA-N 0 0 160.188 1.340 10 0 ADAERN C[C@@H]1CNC(=S)N1c1ccccc1 238394878 573434626 /nfs/dbraw/zinc/43/46/26/573434626.db2.gz NFZJYXVJBJCMBA-MRVPVSSYSA-N 0 0 192.287 1.770 10 0 ADAERN C[C@@H]1COc2cnc([C@@H](C)O)cc21 238394831 573434636 /nfs/dbraw/zinc/43/46/36/573434636.db2.gz XUEBKWAOGVQQKN-RNFRBKRXSA-N 0 0 179.219 1.631 10 0 ADAERN CC1(CNC=O)CCCC1 83145927 573434655 /nfs/dbraw/zinc/43/46/55/573434655.db2.gz AAWBKRJWHNXOSU-UHFFFAOYSA-N 0 0 141.214 1.313 10 0 ADAERN COc1[nH]c(=O)c(C(F)F)cc1N 238394274 573434657 /nfs/dbraw/zinc/43/46/57/573434657.db2.gz UTRXVTDCTMJGSY-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN COC1CCC(OCC(C)=O)CC1 686254195 573434722 /nfs/dbraw/zinc/43/47/22/573434722.db2.gz KAHCAIMJVIMXAX-UHFFFAOYSA-N 0 0 186.251 1.550 10 0 ADAERN CCN(C=O)c1cccc(C)c1 83146042 573434723 /nfs/dbraw/zinc/43/47/23/573434723.db2.gz OBBYLRPECZCYHC-UHFFFAOYSA-N 0 0 163.220 1.978 10 0 ADAERN C[C@H]1CCCC[C@@H]1CNC=O 83146137 573434739 /nfs/dbraw/zinc/43/47/39/573434739.db2.gz NBLQRJUPPJANCV-DTWKUNHWSA-N 0 0 155.241 1.559 10 0 ADAERN [NH3+][C@@H]1CC[C@H]2CCc3ccccc3N12 257811786 573434752 /nfs/dbraw/zinc/43/47/52/573434752.db2.gz BIIQUZADSDOXAM-PWSUYJOCSA-N 0 0 188.274 1.886 10 0 ADAERN C[C@H]1C[C@@H](NC=O)CC[C@H]1C 83146319 573434754 /nfs/dbraw/zinc/43/47/54/573434754.db2.gz XDFRNYUXIYSOKA-VGMNWLOBSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@H]1Cc2ccccc2N(C=O)C1 83145964 573434800 /nfs/dbraw/zinc/43/48/00/573434800.db2.gz IKZKXYBYQSEMLH-VIFPVBQESA-N 0 0 175.231 1.842 10 0 ADAERN C[C@@H](O)C[C@@H](C)C1(O)CCCC1 238393918 573434810 /nfs/dbraw/zinc/43/48/10/573434810.db2.gz ZRCOLVKLICKKHO-RKDXNWHRSA-N 0 0 172.268 1.699 10 0 ADAERN COC(=O)c1cc2cnoc2cc1C 238394359 573434817 /nfs/dbraw/zinc/43/48/17/573434817.db2.gz NEVZWRHIDAGJIE-UHFFFAOYSA-N 0 0 191.186 1.923 10 0 ADAERN CC(=O)[C@@H](F)[C@@H]1CCCOC1 258649449 573434819 /nfs/dbraw/zinc/43/48/19/573434819.db2.gz ZIABRVMTGCKXLY-HTQZYQBOSA-N 0 0 160.188 1.340 10 0 ADAERN COc1ccc(CNN)c(C)c1C 238393628 573434829 /nfs/dbraw/zinc/43/48/29/573434829.db2.gz IFQPUSVRKMNEKA-UHFFFAOYSA-N 0 0 180.251 1.275 10 0 ADAERN C[C@@H](O)c1nnnn1C1CCCCC1 238393932 573434840 /nfs/dbraw/zinc/43/48/40/573434840.db2.gz GDGZFTTWORFWAF-SSDOTTSWSA-N 0 0 196.254 1.232 10 0 ADAERN Oc1ccccc1[C@@]1(F)CCC[NH2+]C1 257811872 573434854 /nfs/dbraw/zinc/43/48/54/573434854.db2.gz BLKWJAOGTWOQNO-LLVKDONJSA-N 0 0 195.237 1.940 10 0 ADAERN CC(=O)CNC(=O)c1ccsc1 83151821 573434855 /nfs/dbraw/zinc/43/48/55/573434855.db2.gz URBVBWBWSOKFGM-UHFFFAOYSA-N 0 0 183.232 1.067 10 0 ADAERN C[C@@H]1CNC(=O)CC(C)(C)C1 238393734 573434859 /nfs/dbraw/zinc/43/48/59/573434859.db2.gz MAGLBLWYHNYIIN-ZETCQYMHSA-N 0 0 155.241 1.559 10 0 ADAERN COc1cc2c(cc1C)NC[C@@H](O)C2 238394838 573434867 /nfs/dbraw/zinc/43/48/67/573434867.db2.gz AHJAVFRPCOUKAF-VIFPVBQESA-N 0 0 193.246 1.333 10 0 ADAERN CCCCSc1ccc(N)nn1 126195726 573434880 /nfs/dbraw/zinc/43/48/80/573434880.db2.gz MNMGEBZVGALQJL-UHFFFAOYSA-N 0 0 183.280 1.951 10 0 ADAERN COC(C)(C)COCCC[C@H](C)O 393664582 573434883 /nfs/dbraw/zinc/43/48/83/573434883.db2.gz LHZHGFQKSSJIHT-VIFPVBQESA-N 0 0 190.283 1.589 10 0 ADAERN Cc1c(N)cccc1N1CC=CC1 118881801 573434887 /nfs/dbraw/zinc/43/48/87/573434887.db2.gz HQDRGPNAKYKOSD-UHFFFAOYSA-N 0 0 174.247 1.953 10 0 ADAERN C[C@@H]1CC[C@@H](NC=O)[C@@H]1C 83146329 573434905 /nfs/dbraw/zinc/43/49/05/573434905.db2.gz JLJHHENINHCOCS-BWZBUEFSSA-N 0 0 141.214 1.167 10 0 ADAERN CC[C@@H](CO)C[C@@H]1CCCC(=O)N1 215209222 573434910 /nfs/dbraw/zinc/43/49/10/573434910.db2.gz FWUCLMMHYGROGN-BDAKNGLRSA-N 0 0 185.267 1.064 10 0 ADAERN CCOC(=O)[C@H](c1cc[nH]c1)N(C)C 259103093 573446798 /nfs/dbraw/zinc/44/67/98/573446798.db2.gz HDUYROFNDOQJQN-VIFPVBQESA-N 0 0 196.250 1.181 10 0 ADAERN O=C1NCC(F)(F)c2ccccc21 257816175 573446820 /nfs/dbraw/zinc/44/68/20/573446820.db2.gz DAFIQKKQSDMXIG-UHFFFAOYSA-N 0 0 183.157 1.522 10 0 ADAERN Oc1ccccc1CF 107256303 573446826 /nfs/dbraw/zinc/44/68/26/573446826.db2.gz AYHHDHPNVPMCIO-UHFFFAOYSA-N 0 0 126.130 1.862 10 0 ADAERN NC(=O)NC(=O)C1CCCCCCC1 83188463 573446834 /nfs/dbraw/zinc/44/68/34/573446834.db2.gz HSFHPWFEJGKICP-UHFFFAOYSA-N 0 0 198.266 1.542 10 0 ADAERN CO[C@H](CN(C)N)C1CCCCC1 257816708 573446836 /nfs/dbraw/zinc/44/68/36/573446836.db2.gz DILLLOZPEKQDEG-SNVBAGLBSA-N 0 0 186.299 1.387 10 0 ADAERN CCCC(=O)N1CC[C@@H](O)[C@H](CC)C1 159491267 573446839 /nfs/dbraw/zinc/44/68/39/573446839.db2.gz DVRYHDVMMVJLRY-NXEZZACHSA-N 0 0 199.294 1.406 10 0 ADAERN O=C(NCCc1cc[nH]c1)C1CCC1 75002326 573446851 /nfs/dbraw/zinc/44/68/51/573446851.db2.gz ANUDUNBTBMLSLA-UHFFFAOYSA-N 0 0 192.262 1.474 10 0 ADAERN C[C@@H](CO)CNc1ccc(F)cc1N 83219289 573446875 /nfs/dbraw/zinc/44/68/75/573446875.db2.gz UHQDSLLNXJDDKS-SSDOTTSWSA-N 0 0 198.241 1.448 10 0 ADAERN Cc1ccc(C(CO)CO)s1 258346381 573446878 /nfs/dbraw/zinc/44/68/78/573446878.db2.gz ZOVLAGDHJJPBDA-UHFFFAOYSA-N 0 0 172.249 1.125 10 0 ADAERN CC(C)CC(=O)NCCc1cc[nH]c1 75002254 573446881 /nfs/dbraw/zinc/44/68/81/573446881.db2.gz NAHXBIBAVMIQRQ-UHFFFAOYSA-N 0 0 194.278 1.720 10 0 ADAERN CCc1cnoc1C=O 257816476 573446223 /nfs/dbraw/zinc/44/62/23/573446223.db2.gz BSJPMTAULRRXJY-UHFFFAOYSA-N 0 0 125.127 1.050 10 0 ADAERN CCC[C@H]1C=C(C(=O)OC)CC[N@@H+]1C 257816316 573446231 /nfs/dbraw/zinc/44/62/31/573446231.db2.gz DHQLSTOCEYJQKK-JTQLQIEISA-N 0 0 197.278 1.590 10 0 ADAERN C[C@H]([C@H]1CC(=O)NC1=O)C1(C)CC1 124371482 573446239 /nfs/dbraw/zinc/44/62/39/573446239.db2.gz XBYOLWBIBBMTDF-RNFRBKRXSA-N 0 0 181.235 1.085 10 0 ADAERN C[C@@H]1CC(=O)C(C)(C)C(=O)[C@@H]1C 238406260 573446253 /nfs/dbraw/zinc/44/62/53/573446253.db2.gz DHDHXKLASOYJMZ-RNFRBKRXSA-N 0 0 168.236 1.827 10 0 ADAERN CC(C)C[C@@H](F)[C@H](C)O 257816506 573446260 /nfs/dbraw/zinc/44/62/60/573446260.db2.gz BUFGVZNSBYPAKK-NKWVEPMBSA-N 0 0 134.194 1.751 10 0 ADAERN C[C@H](N)C(=O)Oc1ccc(Cl)cc1 49812076 573446302 /nfs/dbraw/zinc/44/63/02/573446302.db2.gz ZBTOVSMNNOULTN-LURJTMIESA-N 0 0 199.637 1.593 10 0 ADAERN CCC(=O)NCCc1ccn(C)c1 75002079 573446309 /nfs/dbraw/zinc/44/63/09/573446309.db2.gz XFHDHFGAEOJAFX-UHFFFAOYSA-N 0 0 180.251 1.094 10 0 ADAERN Cc1n[nH]c(C)c1C(=O)NCCCF 308586901 573446322 /nfs/dbraw/zinc/44/63/22/573446322.db2.gz MTLXOZAPVHWHOV-UHFFFAOYSA-N 0 0 199.229 1.116 10 0 ADAERN OC[C@@]1(c2ccccc2)CCO1 258654526 573446328 /nfs/dbraw/zinc/44/63/28/573446328.db2.gz WXNANHYYAMZBBM-SNVBAGLBSA-N 0 0 164.204 1.295 10 0 ADAERN C[C@H]1[C@H](CC(=O)[O-])CCC[N@@H+]1C1CC1 107238179 573446332 /nfs/dbraw/zinc/44/63/32/573446332.db2.gz DYLHCULOWVHPCL-IUCAKERBSA-N 0 0 197.278 1.724 10 0 ADAERN CNC(=O)N(C)c1ccc(O)cc1 107240203 573446380 /nfs/dbraw/zinc/44/63/80/573446380.db2.gz QOLREYPRBXZBDI-UHFFFAOYSA-N 0 0 180.207 1.168 10 0 ADAERN C[C@@H](CO)Sc1cccnc1 259103583 573446401 /nfs/dbraw/zinc/44/64/01/573446401.db2.gz QHPYXHGYYRXIJA-ZETCQYMHSA-N 0 0 169.249 1.555 10 0 ADAERN CC(=O)CC(=O)NCCC(C)(C)C 130055731 573446408 /nfs/dbraw/zinc/44/64/08/573446408.db2.gz KNMMLMIEWIGDOB-UHFFFAOYSA-N 0 0 185.267 1.518 10 0 ADAERN CN(C(=O)CCCO)c1cccs1 258654335 573446412 /nfs/dbraw/zinc/44/64/12/573446412.db2.gz GJJOHCZTMFVSML-UHFFFAOYSA-N 0 0 199.275 1.483 10 0 ADAERN COC(=O)c1ccc2c(c1)C[C@@H]2O 238405982 573446420 /nfs/dbraw/zinc/44/64/20/573446420.db2.gz BUDCIQYHFVAXGH-VIFPVBQESA-N 0 0 178.187 1.063 10 0 ADAERN COC(=O)c1[nH]nc(N)c1C1CCC1 257811288 573446422 /nfs/dbraw/zinc/44/64/22/573446422.db2.gz BCHFLKZHUBNTEZ-UHFFFAOYSA-N 0 0 195.222 1.046 10 0 ADAERN C[C@@H](CC1CCSCC1)ON 259452056 573446423 /nfs/dbraw/zinc/44/64/23/573446423.db2.gz LZYIFCRYHAJMKQ-ZETCQYMHSA-N 0 0 175.297 1.799 10 0 ADAERN CCC[C@H]1NCC(=O)N1CCC(C)C 138130575 573446436 /nfs/dbraw/zinc/44/64/36/573446436.db2.gz MKSJSSJGMDATHA-JTQLQIEISA-N 0 0 198.310 1.591 10 0 ADAERN Cc1cc(NC[C@H](C)CO)ccc1N 83219676 573446450 /nfs/dbraw/zinc/44/64/50/573446450.db2.gz GGMWREOAFBDYBW-QMMMGPOBSA-N 0 0 194.278 1.618 10 0 ADAERN C[C@@H]1CCC2(CCOCC2)C(=O)N1 238398982 573446458 /nfs/dbraw/zinc/44/64/58/573446458.db2.gz XFBVXRUHXUIYLI-MRVPVSSYSA-N 0 0 183.251 1.082 10 0 ADAERN C[C@H](CO)CNc1ccc(F)cc1N 83219287 573446489 /nfs/dbraw/zinc/44/64/89/573446489.db2.gz UHQDSLLNXJDDKS-ZETCQYMHSA-N 0 0 198.241 1.448 10 0 ADAERN CC[C@H]1N[C@H](C)N(CCC(C)C)C1=O 138168640 573446496 /nfs/dbraw/zinc/44/64/96/573446496.db2.gz UQQDKDDHQQEEAL-VHSXEESVSA-N 0 0 198.310 1.589 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2ccccc2N1C 258355868 573446519 /nfs/dbraw/zinc/44/65/19/573446519.db2.gz ZTHUYLMACVHEJO-MWLCHTKSSA-N 0 0 191.274 1.818 10 0 ADAERN CSc1ncnc(Cl)c1CO 124377580 573446522 /nfs/dbraw/zinc/44/65/22/573446522.db2.gz IHYWAUFWHUPIMS-UHFFFAOYSA-N 0 0 190.655 1.344 10 0 ADAERN CC(=O)C(=O)Nc1ccc(C)o1 259103838 573446528 /nfs/dbraw/zinc/44/65/28/573446528.db2.gz ZPTMHNGLHFPUNY-UHFFFAOYSA-N 0 0 167.164 1.116 10 0 ADAERN C[C@@H]1C=C(Cl)C=CN1O 238398955 573446535 /nfs/dbraw/zinc/44/65/35/573446535.db2.gz GPCHBHSMUXRFIN-RXMQYKEDSA-N 0 0 145.589 1.716 10 0 ADAERN C[C@H](O)[C@@H](O)Cc1cccc(F)c1 235601293 573446550 /nfs/dbraw/zinc/44/65/50/573446550.db2.gz NVDLRUCHSLZKRQ-XVKPBYJWSA-N 0 0 184.210 1.110 10 0 ADAERN C[C@@H](C1CCC1)N1C(=S)N=NC1N 124377983 573446552 /nfs/dbraw/zinc/44/65/52/573446552.db2.gz GFRLIXLLOBDJHL-YFKPBYRVSA-N 0 0 198.295 1.510 10 0 ADAERN Cc1coc(C2(O)CCC2)c1 715806900 573446553 /nfs/dbraw/zinc/44/65/53/573446553.db2.gz MEIQQQOSNLEQPD-UHFFFAOYSA-N 0 0 152.193 1.960 10 0 ADAERN C[C@@H](CO)CNc1cccc(F)c1N 83219241 573446582 /nfs/dbraw/zinc/44/65/82/573446582.db2.gz VAHISEVLKJYSSF-SSDOTTSWSA-N 0 0 198.241 1.448 10 0 ADAERN COc1cncc(C[C@H](C)O)c1 259103436 573446593 /nfs/dbraw/zinc/44/65/93/573446593.db2.gz DUYULAKHXQDDBA-ZETCQYMHSA-N 0 0 167.208 1.014 10 0 ADAERN C[C@@H](CO)CNc1cccc(N)c1 83219525 573446599 /nfs/dbraw/zinc/44/65/99/573446599.db2.gz LKFRXLGHGAGSTM-MRVPVSSYSA-N 0 0 180.251 1.309 10 0 ADAERN Cc1ccc(NC[C@@H](C)CO)nc1 83220488 573446603 /nfs/dbraw/zinc/44/66/03/573446603.db2.gz VVDCEOONTXWZHR-SECBINFHSA-N 0 0 180.251 1.430 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H](CC(=O)[O-])[C@H]1C 107239459 573446635 /nfs/dbraw/zinc/44/66/35/573446635.db2.gz AUWYXXHIUYQSAN-ZJUUUORDSA-N 0 0 199.294 1.970 10 0 ADAERN CC[C@H]1N[C@H](C)C(=O)N1CCC(C)C 138165560 573446637 /nfs/dbraw/zinc/44/66/37/573446637.db2.gz IGLACKPWJQMDDR-ZJUUUORDSA-N 0 0 198.310 1.589 10 0 ADAERN CC[C@]1(C)NCN(CCC(C)C)C1=O 138134774 573446649 /nfs/dbraw/zinc/44/66/49/573446649.db2.gz XLSDJRHPIGQPDG-NSHDSACASA-N 0 0 198.310 1.591 10 0 ADAERN C[C@@H]1CC(=O)C(=O)OC(C)(C)C1 238406084 573446685 /nfs/dbraw/zinc/44/66/85/573446685.db2.gz WKNSSIMGJSOUOI-ZCFIWIBFSA-N 0 0 170.208 1.307 10 0 ADAERN Cc1coc([C@]2(O)CCSC2)c1 715806893 573446698 /nfs/dbraw/zinc/44/66/98/573446698.db2.gz MDXIQLCYNLZIPL-VIFPVBQESA-N 0 0 184.260 1.913 10 0 ADAERN COc1cc(C)cc2nc(N)oc12 257816280 573446720 /nfs/dbraw/zinc/44/67/20/573446720.db2.gz DFBACGLVSDFPEP-UHFFFAOYSA-N 0 0 178.191 1.727 10 0 ADAERN Oc1ccccc1OC[C@H](O)C1CC1 258355779 573446723 /nfs/dbraw/zinc/44/67/23/573446723.db2.gz RGQPSWDWUGGODR-JTQLQIEISA-N 0 0 194.230 1.542 10 0 ADAERN CSCCn1nc(C)c(C=O)c1C 130055752 573446760 /nfs/dbraw/zinc/44/67/60/573446760.db2.gz JWSHKWBKZSXUBY-UHFFFAOYSA-N 0 0 198.291 1.675 10 0 ADAERN CC(C)C(=O)NCCc1ccn(C)c1 75002081 573446768 /nfs/dbraw/zinc/44/67/68/573446768.db2.gz RTBAAMVVUNGXBC-UHFFFAOYSA-N 0 0 194.278 1.340 10 0 ADAERN CC[C@H]1COC[C@]1(O)c1cocc1C 687954121 573446772 /nfs/dbraw/zinc/44/67/72/573446772.db2.gz OVUDFTHVIKVOOW-GXSJLCMTSA-N 0 0 196.246 1.832 10 0 ADAERN C[C@](C[NH3+])(CC(=O)[O-])CC1CCC1 146344611 573446773 /nfs/dbraw/zinc/44/67/73/573446773.db2.gz ATMJMBKMZBSWRB-SNVBAGLBSA-N 0 0 185.267 1.616 10 0 ADAERN O=C([O-])[C@]1(Cc2ccccc2)CC[NH2+]1 142670122 573457136 /nfs/dbraw/zinc/45/71/36/573457136.db2.gz ZRSTTZUXTBOMQM-LLVKDONJSA-N 0 0 191.230 1.046 10 0 ADAERN CC1CCC(N2CC(=O)CC2=O)CC1 86475466 573457163 /nfs/dbraw/zinc/45/71/63/573457163.db2.gz BOGKDXNRVPYCLY-UHFFFAOYSA-N 0 0 195.262 1.367 10 0 ADAERN COC(=O)[C@H]1CCCC[C@H]1F 107265762 573457172 /nfs/dbraw/zinc/45/71/72/573457172.db2.gz LNGOBMQOYMNVKG-NKWVEPMBSA-N 0 0 160.188 1.688 10 0 ADAERN CCC(=O)[C@H](C(=O)OC)C1CCCC1 129955611 573457175 /nfs/dbraw/zinc/45/71/75/573457175.db2.gz BKABIPYCPRYMDR-SNVBAGLBSA-N 0 0 198.262 1.945 10 0 ADAERN CC(=O)OCc1ccc(C)o1 142622103 573457176 /nfs/dbraw/zinc/45/71/76/573457176.db2.gz WCAYUXKMYBPHIN-UHFFFAOYSA-N 0 0 154.165 1.651 10 0 ADAERN C[C@H]1C[C@H]1C(=O)Cc1nccn1C 86486046 573457189 /nfs/dbraw/zinc/45/71/89/573457189.db2.gz AXTWVQLPGSGJTA-JGVFFNPUSA-N 0 0 178.235 1.188 10 0 ADAERN CC(F)(F)c1cc(N)no1 107264261 573457210 /nfs/dbraw/zinc/45/72/10/573457210.db2.gz URLSNSXYEZYXJN-UHFFFAOYSA-N 0 0 148.112 1.369 10 0 ADAERN C[C@@H](CCO)[C@@](C)(O)c1ccccc1 308591138 573457214 /nfs/dbraw/zinc/45/72/14/573457214.db2.gz PABPMLADMTUHEY-CMPLNLGQSA-N 0 0 194.274 1.913 10 0 ADAERN CC(C)c1ncc2n1[C@H](O)CCC2 258365398 573457246 /nfs/dbraw/zinc/45/72/46/573457246.db2.gz SDTLEZCRAVZOHD-SECBINFHSA-N 0 0 180.251 1.834 10 0 ADAERN COc1ccc2c(c1)[C@@H](O)C2 238403092 573457249 /nfs/dbraw/zinc/45/72/49/573457249.db2.gz ZBAYUHVPFCTOSP-VIFPVBQESA-N 0 0 150.177 1.285 10 0 ADAERN [NH3+][C@H]1CN(c2ccccc2)C[C@H]1F 107266761 573457255 /nfs/dbraw/zinc/45/72/55/573457255.db2.gz FNNDVDPGZRRSGF-ZJUUUORDSA-N 0 0 180.226 1.172 10 0 ADAERN CCO[C@]1(C)Oc2cccc(O)c2O1 138282856 573457261 /nfs/dbraw/zinc/45/72/61/573457261.db2.gz RCGRYBXKRSOSSL-SNVBAGLBSA-N 0 0 196.202 1.874 10 0 ADAERN C/C(=C/CCC(C)C)C(N)=O 142650075 573457273 /nfs/dbraw/zinc/45/72/73/573457273.db2.gz SPDWVWHFSXICMD-VURMDHGXSA-N 0 0 155.241 1.854 10 0 ADAERN CCC(CC)CNC(=O)[C@@H]1C[C@@H]1OC 689955654 573457283 /nfs/dbraw/zinc/45/72/83/573457283.db2.gz LITXOFXEINFYHJ-ZJUUUORDSA-N 0 0 199.294 1.574 10 0 ADAERN COc1cccc([C@@H](O)[C@H]2CO2)c1 238403188 573457300 /nfs/dbraw/zinc/45/73/00/573457300.db2.gz GZKIIIYRQUTUAR-NXEZZACHSA-N 0 0 180.203 1.127 10 0 ADAERN OC[C@H]1O[C@H]1c1ccsc1 142621831 573457301 /nfs/dbraw/zinc/45/73/01/573457301.db2.gz INGWFEPJVGYKLL-RQJHMYQMSA-N 0 0 156.206 1.180 10 0 ADAERN CSc1c(N)nc2ccccn12 238402332 573457322 /nfs/dbraw/zinc/45/73/22/573457322.db2.gz DETRVLPGHBGXMK-UHFFFAOYSA-N 0 0 179.248 1.638 10 0 ADAERN Cc1nc(Cl)cc([C@@H](C)O)n1 107261835 573457323 /nfs/dbraw/zinc/45/73/23/573457323.db2.gz VVRWSFADKURHPF-SCSAIBSYSA-N 0 0 172.615 1.492 10 0 ADAERN CSC(=O)C(=O)C1CCC1 238402140 573457334 /nfs/dbraw/zinc/45/73/34/573457334.db2.gz AMQJNQALABHOIS-UHFFFAOYSA-N 0 0 158.222 1.245 10 0 ADAERN Cc1ccc(N2CC(=O)CC2=O)cc1 86475470 573457337 /nfs/dbraw/zinc/45/73/37/573457337.db2.gz NSRWCEVWDUSXSB-UHFFFAOYSA-N 0 0 189.214 1.301 10 0 ADAERN [O-][n+]1c(Cl)cccc1CF 107263907 573457342 /nfs/dbraw/zinc/45/73/42/573457342.db2.gz DCAMWQIGZSVILX-UHFFFAOYSA-N 0 0 161.563 1.443 10 0 ADAERN CC(=O)c1cccc2c(=O)[nH]n(C)c12 257814187 573457345 /nfs/dbraw/zinc/45/73/45/573457345.db2.gz CJUOLAUXZUZEAA-UHFFFAOYSA-N 0 0 190.202 1.069 10 0 ADAERN C[NH+](C)C[C@H](F)c1ccc(N)cc1 107267026 573457348 /nfs/dbraw/zinc/45/73/48/573457348.db2.gz RRZXOJGUIPIKQK-JTQLQIEISA-N 0 0 182.242 1.841 10 0 ADAERN COC(=O)Cc1ccc2c(c1)OCC2 238402631 573457369 /nfs/dbraw/zinc/45/73/69/573457369.db2.gz MLWNTHVPDXDOQI-UHFFFAOYSA-N 0 0 192.214 1.337 10 0 ADAERN FC[C@@H]1CO[C@H](c2ccccc2)CN1 107265191 573457377 /nfs/dbraw/zinc/45/73/77/573457377.db2.gz FLOVFVOSEMUJGY-MNOVXSKESA-N 0 0 195.237 1.686 10 0 ADAERN CCc1ccc([C@@H](C[NH3+])CC(=O)[O-])o1 83281802 573457382 /nfs/dbraw/zinc/45/73/82/573457382.db2.gz NKGVOYUDZHKUMF-SSDOTTSWSA-N 0 0 197.234 1.359 10 0 ADAERN Cc1cccc(-c2cnnc(=O)[nH]2)c1 257814500 573457416 /nfs/dbraw/zinc/45/74/16/573457416.db2.gz CIXNCFZRCDEKPP-UHFFFAOYSA-N 0 0 187.202 1.553 10 0 ADAERN C[C@@H]1OC(=O)N[C@@H]1c1nccs1 238403280 573457424 /nfs/dbraw/zinc/45/74/24/573457424.db2.gz NYZAIUBULVFCCN-WHFBIAKZSA-N 0 0 184.220 1.313 10 0 ADAERN CC(C)[C@@H](C)CN1CC(=O)CC1=O 86475835 573457443 /nfs/dbraw/zinc/45/74/43/573457443.db2.gz XKWFYONEGCRKNJ-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN CCCC[C@H](NN)[C@@H]1CC[C@H](C)O1 130169410 573457465 /nfs/dbraw/zinc/45/74/65/573457465.db2.gz XDUMUBVJDHUCEE-GUBZILKMSA-N 0 0 186.299 1.576 10 0 ADAERN O=C1N[C@H](CF)[C@@H](c2ccccc2)O1 107264763 573457469 /nfs/dbraw/zinc/45/74/69/573457469.db2.gz BJSOPAQLWKOCSL-RKDXNWHRSA-N 0 0 195.193 1.806 10 0 ADAERN CCN1C(=O)CNc2ccc(O)cc21 257814242 573457485 /nfs/dbraw/zinc/45/74/85/573457485.db2.gz CMGZGUZPYRBRDY-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN O=C1CCN([C@@H]2CC=CCC2)C(=O)C1 86476323 573457492 /nfs/dbraw/zinc/45/74/92/573457492.db2.gz QMHHGDLCZXJALL-SECBINFHSA-N 0 0 193.246 1.287 10 0 ADAERN CCNc1cccc(F)c1C(N)=S 86477011 573457518 /nfs/dbraw/zinc/45/75/18/573457518.db2.gz XZGYFPKMPVFIII-UHFFFAOYSA-N 0 0 198.266 1.892 10 0 ADAERN C[C@@H]1CC[C@H](N2CC(=O)CC2=O)[C@@H]1C 86475854 573457531 /nfs/dbraw/zinc/45/75/31/573457531.db2.gz INBKPOFVLPFVGU-MRTMQBJTSA-N 0 0 195.262 1.222 10 0 ADAERN COc1c(F)c(N)c(F)c(F)c1F 238403767 573457544 /nfs/dbraw/zinc/45/75/44/573457544.db2.gz VEHVBRZSSWXJBV-UHFFFAOYSA-N 0 0 195.115 1.834 10 0 ADAERN Cc1cc(O)ccc1C(F)(F)CO 257814076 573457556 /nfs/dbraw/zinc/45/75/56/573457556.db2.gz AJJGTAADQFHINN-UHFFFAOYSA-N 0 0 188.173 1.785 10 0 ADAERN Cc1nc(N)nn1[C@@H](C)C1CC1 86475325 573457565 /nfs/dbraw/zinc/45/75/65/573457565.db2.gz HSASXQHULKOQOH-YFKPBYRVSA-N 0 0 166.228 1.140 10 0 ADAERN CC[C@H](C(C)C)N1CC(=O)CC1=O 86475580 573457588 /nfs/dbraw/zinc/45/75/88/573457588.db2.gz RNISVNILMWCTHZ-SECBINFHSA-N 0 0 183.251 1.222 10 0 ADAERN COCCC/C=C\CCO 258359384 573457592 /nfs/dbraw/zinc/45/75/92/573457592.db2.gz ZEWFRUNTWPJITJ-IHWYPQMZSA-N 0 0 144.214 1.352 10 0 ADAERN CC(C)C[C@H](C)N1CC(=O)CC1=O 86475509 573457593 /nfs/dbraw/zinc/45/75/93/573457593.db2.gz GVDYSKYRKMMALV-QMMMGPOBSA-N 0 0 183.251 1.222 10 0 ADAERN C[C@@H](O)c1nc2c(Cl)ncnc2[nH]1 238402279 573457615 /nfs/dbraw/zinc/45/76/15/573457615.db2.gz RUOLKPBFJYJBSX-GSVOUGTGSA-N 0 0 198.613 1.060 10 0 ADAERN CNc1cccc(F)c1C(N)=S 86477008 573457619 /nfs/dbraw/zinc/45/76/19/573457619.db2.gz UBMLFJXZIRNJGN-UHFFFAOYSA-N 0 0 184.239 1.502 10 0 ADAERN CN1CCC[C@H]1c1cc(Cl)cnn1 259458555 573457625 /nfs/dbraw/zinc/45/76/25/573457625.db2.gz NCCAEIJULLHXGW-VIFPVBQESA-N 0 0 197.669 1.897 10 0 ADAERN CC[C@H](C)CN1CCC(=O)CC1=O 86476179 573457627 /nfs/dbraw/zinc/45/76/27/573457627.db2.gz ILROTDGHAMEUEM-QMMMGPOBSA-N 0 0 183.251 1.224 10 0 ADAERN C[C@@H](O)CC1=CCC=C1 238401892 573457629 /nfs/dbraw/zinc/45/76/29/573457629.db2.gz IVCWZOKLFHLAAG-SSDOTTSWSA-N 0 0 123.175 1.329 10 0 ADAERN CC(C)[C@H](C)CN1CC(=O)CC1=O 86475836 573457633 /nfs/dbraw/zinc/45/76/33/573457633.db2.gz XKWFYONEGCRKNJ-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1C=C[C@@H](O)[C@@]1(C)Cl 238403716 573457639 /nfs/dbraw/zinc/45/76/39/573457639.db2.gz LTYWIUDGAGYZSY-QYNIQEEDSA-N 0 0 146.617 1.551 10 0 ADAERN CC(=O)c1cnc2c(c1)CCOC2 257814026 573457677 /nfs/dbraw/zinc/45/76/77/573457677.db2.gz CIQJMVMFQIECHU-UHFFFAOYSA-N 0 0 177.203 1.357 10 0 ADAERN CC(=O)Cc1ccccc1C1(O)CC1 259456390 573457679 /nfs/dbraw/zinc/45/76/79/573457679.db2.gz MYXRLWHULQUESM-UHFFFAOYSA-N 0 0 190.242 1.800 10 0 ADAERN FCc1cc(C(F)(F)F)n[nH]1 107265159 573457709 /nfs/dbraw/zinc/45/77/09/573457709.db2.gz DWBLFMCDXVHIKW-UHFFFAOYSA-N 0 0 168.093 1.898 10 0 ADAERN CCOC(=O)C1=CCC[C@H]1[C@@H](C)CO 308591479 573457714 /nfs/dbraw/zinc/45/77/14/573457714.db2.gz PDEGXPMURYXDAJ-IUCAKERBSA-N 0 0 198.262 1.514 10 0 ADAERN C[C@@H]1OC(=O)N[C@H]1c1ccc(F)cc1 238403447 573457715 /nfs/dbraw/zinc/45/77/15/573457715.db2.gz HNFJNKXFUYOSGY-IMTBSYHQSA-N 0 0 195.193 1.995 10 0 ADAERN COc1ccccc1[C@@H]1CCNO1 257817850 573457724 /nfs/dbraw/zinc/45/77/24/573457724.db2.gz DUFQMCIECYPABZ-JTQLQIEISA-N 0 0 179.219 1.661 10 0 ADAERN CC(C)CC1=C(C(=O)[O-])CC[NH2+]C1 257818007 573457733 /nfs/dbraw/zinc/45/77/33/573457733.db2.gz DXFGALVVAUNALS-UHFFFAOYSA-N 0 0 183.251 1.407 10 0 ADAERN COc1cccc2oc(CON)cc12 258359341 573457735 /nfs/dbraw/zinc/45/77/35/573457735.db2.gz ZDPFTXGEXDFDIW-UHFFFAOYSA-N 0 0 193.202 1.832 10 0 ADAERN Cc1ccccc1[C@@H]1[NH2+]C[C@@H]1C(=O)[O-] 257817710 573457740 /nfs/dbraw/zinc/45/77/40/573457740.db2.gz DXKKCCUIFZEYRB-UWVGGRQHSA-N 0 0 191.230 1.340 10 0 ADAERN Cc1ccc2c(c1C=O)OCCO2 257817964 573457749 /nfs/dbraw/zinc/45/77/49/573457749.db2.gz DWMGQGKNIZRDCW-UHFFFAOYSA-N 0 0 178.187 1.579 10 0 ADAERN Nc1nc2c(c(=O)[nH]1)CCCCCC2 142677910 573457761 /nfs/dbraw/zinc/45/77/61/573457761.db2.gz IUJZNKYZJVVTSZ-UHFFFAOYSA-N 0 0 193.250 1.011 10 0 ADAERN CO[C@@H]1COc2ccc(N)cc2C1 257817803 573457775 /nfs/dbraw/zinc/45/77/75/573457775.db2.gz DTOHDBNPXSJYNA-VIFPVBQESA-N 0 0 179.219 1.219 10 0 ADAERN CCC(=O)[C@@H](C(=O)OC)C1CCCC1 129955810 573457796 /nfs/dbraw/zinc/45/77/96/573457796.db2.gz BKABIPYCPRYMDR-JTQLQIEISA-N 0 0 198.262 1.945 10 0 ADAERN C[C@H](O)CC[C@H](O)CCc1cc[nH]c1 78444129 573457800 /nfs/dbraw/zinc/45/78/00/573457800.db2.gz FDERJBZQTVJMNF-ONGXEEELSA-N 0 0 197.278 1.469 10 0 ADAERN O[C@@H]1CCc2c(Cl)ncnc21 107266193 573457802 /nfs/dbraw/zinc/45/78/02/573457802.db2.gz RSSKKUZDMPGFPD-RXMQYKEDSA-N 0 0 170.599 1.110 10 0 ADAERN CC[C@@H](C)n1nc(N)nc1C 86475322 573457812 /nfs/dbraw/zinc/45/78/12/573457812.db2.gz IJZIMYDMBMXXNN-RXMQYKEDSA-N 0 0 154.217 1.140 10 0 ADAERN C[C@H](CCO)[C@](C)(O)c1ccccc1 308591140 573457818 /nfs/dbraw/zinc/45/78/18/573457818.db2.gz PABPMLADMTUHEY-PWSUYJOCSA-N 0 0 194.274 1.913 10 0 ADAERN CCCC[C@H](C[C@H](C)COC)NN 130170856 573457828 /nfs/dbraw/zinc/45/78/28/573457828.db2.gz IDURJMOALHHTNR-VHSXEESVSA-N 0 0 188.315 1.681 10 0 ADAERN COc1ncc(C(F)F)c(C)c1N 238402775 573457838 /nfs/dbraw/zinc/45/78/38/573457838.db2.gz WGPXGVFGIGJCEF-UHFFFAOYSA-N 0 0 188.177 1.918 10 0 ADAERN CC(C)n1nc(N)c2c1CCOC2 257813930 573457844 /nfs/dbraw/zinc/45/78/44/573457844.db2.gz CEQHLJDLASWKJY-UHFFFAOYSA-N 0 0 181.239 1.119 10 0 ADAERN O=C1C[C@H](c2ccccc2)[C@@H](CF)N1 107264098 573457870 /nfs/dbraw/zinc/45/78/70/573457870.db2.gz DISSOFZWCGBLSU-NXEZZACHSA-N 0 0 193.221 1.628 10 0 ADAERN CC(C)Cc1cnn(C)c1C=O 257814087 573457881 /nfs/dbraw/zinc/45/78/81/573457881.db2.gz AKKNJAHMDWVFLH-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN FC[C@H]1CO[C@H](c2ccccc2)CN1 107265198 573457922 /nfs/dbraw/zinc/45/79/22/573457922.db2.gz FLOVFVOSEMUJGY-QWRGUYRKSA-N 0 0 195.237 1.686 10 0 ADAERN CC[C@H](C)[C@H](C)N1CC(=O)CC1=O 86475567 573457923 /nfs/dbraw/zinc/45/79/23/573457923.db2.gz PWMYPVPHWAQIOL-YUMQZZPRSA-N 0 0 183.251 1.222 10 0 ADAERN O[C@H]1CCCn2cc(C3CCC3)nc21 258361823 573457943 /nfs/dbraw/zinc/45/79/43/573457943.db2.gz LVECTAXGQJUOBC-JTQLQIEISA-N 0 0 192.262 1.978 10 0 ADAERN Cc1cc2ncccc2c(=O)o1 140803125 573468526 /nfs/dbraw/zinc/46/85/26/573468526.db2.gz QDKQFBOJGNEPEV-UHFFFAOYSA-N 0 0 161.160 1.496 10 0 ADAERN CCc1cc2noc(C(=O)OC)c2[nH]1 259461443 573468527 /nfs/dbraw/zinc/46/85/27/573468527.db2.gz XSCZSZUYAZOFEM-UHFFFAOYSA-N 0 0 194.190 1.505 10 0 ADAERN CC1(C)CNc2cc(CO)ccc2O1 258396982 573468539 /nfs/dbraw/zinc/46/85/39/573468539.db2.gz BSLFERSTPFFIPH-UHFFFAOYSA-N 0 0 193.246 1.762 10 0 ADAERN C[C@@H]1CC[C@H]2CCC(=O)N[C@@H]2C1 238409964 573468542 /nfs/dbraw/zinc/46/85/42/573468542.db2.gz PDGPNZKXKUNHQW-HRDYMLBCSA-N 0 0 167.252 1.701 10 0 ADAERN Cn1nc(C2CCC2)cc1C=O 258390474 573468546 /nfs/dbraw/zinc/46/85/46/573468546.db2.gz BCKKCCZOTUJUSJ-UHFFFAOYSA-N 0 0 164.208 1.500 10 0 ADAERN COC[C@@]1(O)CCCC[C@@H]1C 86518255 573468550 /nfs/dbraw/zinc/46/85/50/573468550.db2.gz CCPAKUGVIJJTKD-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN Nc1noc(-c2ccccn2)c1Cl 86517468 573468556 /nfs/dbraw/zinc/46/85/56/573468556.db2.gz QTEUVVIHEZMICI-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CCC[C@@H](CO)C1 308592975 573468582 /nfs/dbraw/zinc/46/85/82/573468582.db2.gz PXKQYSRBKILWTK-AXBRGNRRSA-N 0 0 197.278 1.230 10 0 ADAERN OC[C@@H]1CC[C@@H]1c1ccc(O)cc1 257815782 573468593 /nfs/dbraw/zinc/46/85/93/573468593.db2.gz CYEULIMBISNSOQ-GXSJLCMTSA-N 0 0 178.231 1.878 10 0 ADAERN C[C@@H](O)c1cc(N(C)C)ccc1O 258034904 573467868 /nfs/dbraw/zinc/46/78/68/573467868.db2.gz PLQCGOQHCIIARX-SSDOTTSWSA-N 0 0 181.235 1.512 10 0 ADAERN Cc1c(CCO)cnn1[C@@H]1CCCO1 257820665 573467896 /nfs/dbraw/zinc/46/78/96/573467896.db2.gz FUGRGRATMCULTA-JTQLQIEISA-N 0 0 196.250 1.035 10 0 ADAERN C[C@@H]1CC(=O)CC[C@@]12CC[C@@H](O)C2 238408994 573467920 /nfs/dbraw/zinc/46/79/20/573467920.db2.gz QEYWQWLWSIHXLU-IEBDPFPHSA-N 0 0 182.263 1.907 10 0 ADAERN Nc1cccc([C@H]2CCOC(=O)N2)c1 257815978 573467921 /nfs/dbraw/zinc/46/79/21/573467921.db2.gz DEVSZTGPKJUWKO-SECBINFHSA-N 0 0 192.218 1.440 10 0 ADAERN CC(C)c1nnc2n1[C@H](O)CCC2 258396307 573467958 /nfs/dbraw/zinc/46/79/58/573467958.db2.gz UQPSBEWAHJPZHH-MRVPVSSYSA-N 0 0 181.239 1.229 10 0 ADAERN COC[C@]1(O)CCc2ccccc2C1 86518613 573467964 /nfs/dbraw/zinc/46/79/64/573467964.db2.gz WNOUICFAKQOQIO-LBPRGKRZSA-N 0 0 192.258 1.553 10 0 ADAERN CCN1C[C@@H](C)Nc2cccc(N)c21 258390647 573467966 /nfs/dbraw/zinc/46/79/66/573467966.db2.gz BDKBUHYHXLFPAT-MRVPVSSYSA-N 0 0 191.278 1.909 10 0 ADAERN COC(=O)CC[C@H]1CCSC1 259464154 573467967 /nfs/dbraw/zinc/46/79/67/573467967.db2.gz ANJTXFHBXAEUHP-ZETCQYMHSA-N 0 0 174.265 1.693 10 0 ADAERN C[C@@H](Cc1cccc(O)c1)NC=O 238409743 573468002 /nfs/dbraw/zinc/46/80/02/573468002.db2.gz BRHCQXYZPWITSB-QMMMGPOBSA-N 0 0 179.219 1.069 10 0 ADAERN OC1(C[C@H]2CCOC2)CCCC1 258036270 573468010 /nfs/dbraw/zinc/46/80/10/573468010.db2.gz OEUMHQMXZWSTBN-SECBINFHSA-N 0 0 170.252 1.718 10 0 ADAERN COC(=O)C1(C(C)=O)CCC(C)CC1 86501935 573468013 /nfs/dbraw/zinc/46/80/13/573468013.db2.gz XXLAYSDQMDDYPZ-UHFFFAOYSA-N 0 0 198.262 1.945 10 0 ADAERN CCNC(=S)N(C)CCSC 130091658 573468017 /nfs/dbraw/zinc/46/80/17/573468017.db2.gz KVMKWHDOFGAHCV-UHFFFAOYSA-N 0 0 192.353 1.176 10 0 ADAERN CC(=O)CC[C@@H](C)CCO 224150412 573468046 /nfs/dbraw/zinc/46/80/46/573468046.db2.gz USNIMABDNVFBFI-SSDOTTSWSA-N 0 0 144.214 1.374 10 0 ADAERN CC1(C)CN[C@@](C)(c2ccccn2)O1 258394775 573468077 /nfs/dbraw/zinc/46/80/77/573468077.db2.gz IBAXMRSTJKKBAK-LLVKDONJSA-N 0 0 192.262 1.653 10 0 ADAERN O=C1CCSc2cccc(O)c2N1 258395196 573468092 /nfs/dbraw/zinc/46/80/92/573468092.db2.gz BNJCGYILCFCROH-UHFFFAOYSA-N 0 0 195.243 1.827 10 0 ADAERN COC[C@@]1(O)CCc2ccccc21 86518364 573468112 /nfs/dbraw/zinc/46/81/12/573468112.db2.gz CITPABOACKQTJP-NSHDSACASA-N 0 0 178.231 1.467 10 0 ADAERN OC1(C[C@@H]2CCOC2)CCCC1 258036276 573468113 /nfs/dbraw/zinc/46/81/13/573468113.db2.gz OEUMHQMXZWSTBN-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN CC12COC(C3CCC3)(OC1)OC2 258665137 573468130 /nfs/dbraw/zinc/46/81/30/573468130.db2.gz SPVTVZVXGUYUNE-UHFFFAOYSA-N 0 0 184.235 1.524 10 0 ADAERN CN(C)c1ccc(CCON)cc1F 258034583 573468140 /nfs/dbraw/zinc/46/81/40/573468140.db2.gz FKSYKQZQPGAKAX-UHFFFAOYSA-N 0 0 198.241 1.325 10 0 ADAERN COc1ccc(CCO)c(F)c1F 258036204 573468148 /nfs/dbraw/zinc/46/81/48/573468148.db2.gz JMRYQQDNFCGICS-UHFFFAOYSA-N 0 0 188.173 1.508 10 0 ADAERN C[C@H]1[NH2+]C[C@@H](C)N1c1ccccc1 238405646 573468150 /nfs/dbraw/zinc/46/81/50/573468150.db2.gz FYOXPPPJIPVYLD-ZJUUUORDSA-N 0 0 176.263 1.831 10 0 ADAERN NOC[C@@H]1Cc2c(F)cccc2N1 258356942 573468152 /nfs/dbraw/zinc/46/81/52/573468152.db2.gz YWPOMDQCMGMMQR-LURJTMIESA-N 0 0 182.198 1.053 10 0 ADAERN CC(C)(C)[C@@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258037409 573468162 /nfs/dbraw/zinc/46/81/62/573468162.db2.gz CKKRLAMKWFWHSG-XVKPBYJWSA-N 0 0 185.267 1.485 10 0 ADAERN CCCC[C@@H](NN)c1cnsn1 130110169 573468191 /nfs/dbraw/zinc/46/81/91/573468191.db2.gz MRORBQSHPIXXMU-ZCFIWIBFSA-N 0 0 186.284 1.233 10 0 ADAERN CCCC(=O)[C@@]1(C(=O)OC)CC[C@H]1C 86501991 573468203 /nfs/dbraw/zinc/46/82/03/573468203.db2.gz KVDPJSSFGSWQRI-LDYMZIIASA-N 0 0 198.262 1.945 10 0 ADAERN CC(C)(C)C(=O)CF 107273955 573468219 /nfs/dbraw/zinc/46/82/19/573468219.db2.gz HWLZJIJKCKHVAM-UHFFFAOYSA-N 0 0 118.151 1.571 10 0 ADAERN [NH3+]C[C@@H]1[C@@H](C(=O)[O-])[C@H]1c1ccccc1 257815537 573468237 /nfs/dbraw/zinc/46/82/37/573468237.db2.gz CXNSRKLNMLRMEQ-LPEHRKFASA-N 0 0 191.230 1.060 10 0 ADAERN COc1cc2c[nH+]cn2cc1Cl 238405720 573468243 /nfs/dbraw/zinc/46/82/43/573468243.db2.gz UDCWRNFTOVVSBO-UHFFFAOYSA-N 0 0 182.610 1.996 10 0 ADAERN COC[C@]1(O)CCC[C@@H](C)C1 86518155 573468254 /nfs/dbraw/zinc/46/82/54/573468254.db2.gz MMWGBIICIKBSLY-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN COC(=O)[C@@]1(C(C)=O)CC[C@H]1C 86501932 573468260 /nfs/dbraw/zinc/46/82/60/573468260.db2.gz GTPHYQKJCVHMAP-MUWHJKNJSA-N 0 0 170.208 1.165 10 0 ADAERN COc1c(F)ccc2oncc12 238409603 573468261 /nfs/dbraw/zinc/46/82/61/573468261.db2.gz VHVOXELBCJHVQQ-UHFFFAOYSA-N 0 0 167.139 1.976 10 0 ADAERN CCCC(=O)Cc1cncc(C)n1 238230062 573468264 /nfs/dbraw/zinc/46/82/64/573468264.db2.gz MEQWHRBYGMYSJQ-UHFFFAOYSA-N 0 0 178.235 1.697 10 0 ADAERN COc1c(F)ccc2c(CO)c[nH]c12 238409071 573468278 /nfs/dbraw/zinc/46/82/78/573468278.db2.gz ZGJWWODWIARQNW-UHFFFAOYSA-N 0 0 195.193 1.808 10 0 ADAERN O[C@H]1CCn2c(C3CC3)cnc2C1 257815525 573468285 /nfs/dbraw/zinc/46/82/85/573468285.db2.gz CVYLAQRZGIHDFB-QMMMGPOBSA-N 0 0 178.235 1.068 10 0 ADAERN CNN=c1[nH]c2ccccc2n1C 205991596 573468303 /nfs/dbraw/zinc/46/83/03/573468303.db2.gz UDDRKPINTKDETI-UHFFFAOYSA-N 0 0 176.223 1.120 10 0 ADAERN COC(=O)[C@]1(C(=O)C(C)C)CC[C@H]1C 86502149 573468307 /nfs/dbraw/zinc/46/83/07/573468307.db2.gz LASCIPBVHUXFFD-LDYMZIIASA-N 0 0 198.262 1.801 10 0 ADAERN C[C@@H]1CCC[C@@H](O)[C@@H]1OCN(C)C 238409692 573468308 /nfs/dbraw/zinc/46/83/08/573468308.db2.gz ATXBHGUXJFAMEQ-OPRDCNLKSA-N 0 0 187.283 1.072 10 0 ADAERN NOCc1ccc(CC2(O)CC2)cc1 259462380 573468317 /nfs/dbraw/zinc/46/83/17/573468317.db2.gz NNDMMLWDVRYOQD-UHFFFAOYSA-N 0 0 193.246 1.144 10 0 ADAERN CC(C)OC[C@@](C)(O)C1CC1 86518599 573468327 /nfs/dbraw/zinc/46/83/27/573468327.db2.gz GPGZKFMJAGDICX-SECBINFHSA-N 0 0 158.241 1.572 10 0 ADAERN COC[C@H](F)c1cccc(N)c1 107277818 573468328 /nfs/dbraw/zinc/46/83/28/573468328.db2.gz DBMTVKIMTNELRB-VIFPVBQESA-N 0 0 169.199 1.926 10 0 ADAERN COc1[nH]cc(C(F)F)c(=O)c1N 238405714 573468334 /nfs/dbraw/zinc/46/83/34/573468334.db2.gz SSXBNGZVPQMWMI-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN O=CN1CCCC[C@@H]1[C@@H]1CCCC1=O 86499964 573468341 /nfs/dbraw/zinc/46/83/41/573468341.db2.gz SKJMPPHFDJECRU-VHSXEESVSA-N 0 0 195.262 1.367 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](c2ccccc2)OC1 258358216 573468342 /nfs/dbraw/zinc/46/83/42/573468342.db2.gz GEVIXOIPZHAHJY-MWLCHTKSSA-N 0 0 177.247 1.941 10 0 ADAERN COCC1(O)CCCCCC1 86518325 573468349 /nfs/dbraw/zinc/46/83/49/573468349.db2.gz AYAXLZNRPRYBBT-UHFFFAOYSA-N 0 0 158.241 1.718 10 0 ADAERN CO[C@]1(CO)CCc2ccccc2C1 257815984 573468378 /nfs/dbraw/zinc/46/83/78/573468378.db2.gz DFAAXFWMMHFRRM-GFCCVEGCSA-N 0 0 192.258 1.553 10 0 ADAERN CC(C)(C[C@@H]1CCCS1)ON 259461857 573468380 /nfs/dbraw/zinc/46/83/80/573468380.db2.gz MXMPYHMYIUBHRR-ZETCQYMHSA-N 0 0 175.297 1.941 10 0 ADAERN C[C@]1(c2ccccc2F)NCCC1=O 107275723 573468387 /nfs/dbraw/zinc/46/83/87/573468387.db2.gz KZGYSFHDWNRFRX-LLVKDONJSA-N 0 0 193.221 1.603 10 0 ADAERN CC[C@](C)(O)COC(C)C 86518572 573468392 /nfs/dbraw/zinc/46/83/92/573468392.db2.gz RHKDEGARICXBOS-QMMMGPOBSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H]1C[NH2+][C@H](c2ccccc2)OC1 258358223 573468393 /nfs/dbraw/zinc/46/83/93/573468393.db2.gz GEVIXOIPZHAHJY-ONGXEEELSA-N 0 0 177.247 1.941 10 0 ADAERN CCOC[C@@]1(O)CCCC[C@@H]1C 86518239 573468398 /nfs/dbraw/zinc/46/83/98/573468398.db2.gz OCKKTYJWIFVMLF-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN Cn1ccnc1SC(F)F 224156147 573468402 /nfs/dbraw/zinc/46/84/02/573468402.db2.gz IXNFOAUEYWWORQ-UHFFFAOYSA-N 0 0 164.180 1.735 10 0 ADAERN CC(C)c1cn2c(n1)CCC[C@H]2CO 258393841 573468406 /nfs/dbraw/zinc/46/84/06/573468406.db2.gz NIQOSDUVNOGIBM-VIFPVBQESA-N 0 0 194.278 1.876 10 0 ADAERN C[C@@H](NO)[C@@H]1C(=O)Nc2ccccc21 238409290 573468411 /nfs/dbraw/zinc/46/84/11/573468411.db2.gz MHIZQGWWOAGXCB-MUWHJKNJSA-N 0 0 192.218 1.090 10 0 ADAERN CC(C)OC[C@@H](O)C(C)C 86519325 573468415 /nfs/dbraw/zinc/46/84/15/573468415.db2.gz YSGRQAPTMLBELH-MRVPVSSYSA-N 0 0 146.230 1.428 10 0 ADAERN Nc1cccc([C@@H]2CCOC(=O)N2)c1 257815979 573468417 /nfs/dbraw/zinc/46/84/17/573468417.db2.gz DEVSZTGPKJUWKO-VIFPVBQESA-N 0 0 192.218 1.440 10 0 ADAERN CC(=O)c1ccc2c(c1)c(=O)[nH]n2C 257815964 573468423 /nfs/dbraw/zinc/46/84/23/573468423.db2.gz DEKNKMSWBDMBBH-UHFFFAOYSA-N 0 0 190.202 1.069 10 0 ADAERN COc1cnc(C[NH3+])cc1C(F)F 238405688 573468426 /nfs/dbraw/zinc/46/84/26/573468426.db2.gz XAZARVQBDXCYDG-UHFFFAOYSA-N 0 0 188.177 1.487 10 0 ADAERN COC[C@]1(O)CCCc2ccccc21 86518343 573468446 /nfs/dbraw/zinc/46/84/46/573468446.db2.gz GRGUCVPIFFFBRF-GFCCVEGCSA-N 0 0 192.258 1.857 10 0 ADAERN CCOC(=O)[C@H](C)[C@H]1CCCOC1 259461302 573468448 /nfs/dbraw/zinc/46/84/48/573468448.db2.gz AAWUXPPPHYXFJF-BDAKNGLRSA-N 0 0 186.251 1.612 10 0 ADAERN C[C@H]1C=C(CCCO)CCO1 238409861 573468471 /nfs/dbraw/zinc/46/84/71/573468471.db2.gz GLFSJADHYZZFDY-QMMMGPOBSA-N 0 0 156.225 1.494 10 0 ADAERN Cc1n[nH]cc1-c1onc(N)c1Cl 86517327 573468479 /nfs/dbraw/zinc/46/84/79/573468479.db2.gz YNKJSGYLVPADRJ-UHFFFAOYSA-N 0 0 198.613 1.609 10 0 ADAERN Cc1ccc(O)c2c1[C@H](C)OC2=O 238405834 573468485 /nfs/dbraw/zinc/46/84/85/573468485.db2.gz AYQJFCOABJYUOD-LURJTMIESA-N 0 0 178.187 1.932 10 0 ADAERN COCCNCc1coc(C2CC2)n1 308583809 573468488 /nfs/dbraw/zinc/46/84/88/573468488.db2.gz HPOVNOQXZMOZBB-UHFFFAOYSA-N 0 0 196.250 1.288 10 0 ADAERN C[C@@H]1CCC[C@@H](OC(N)=O)C1 238409818 573468494 /nfs/dbraw/zinc/46/84/94/573468494.db2.gz DOEIYNAFEDWMKO-RNFRBKRXSA-N 0 0 157.213 1.660 10 0 ADAERN O=C(S)NCc1ccc[nH]1 258663270 573468600 /nfs/dbraw/zinc/46/86/00/573468600.db2.gz ILRZUQLGXHMTJB-UHFFFAOYSA-N 0 0 156.210 1.154 10 0 ADAERN O=Cc1cc(C[C@H]2CCCS2)[nH]n1 258395171 573469367 /nfs/dbraw/zinc/46/93/67/573469367.db2.gz BLYNCTZWMVZKEG-SECBINFHSA-N 0 0 196.275 1.660 10 0 ADAERN C[C@@H]1CC[C@H]([C@@]2(C)CO2)CC1=O 238408899 573468605 /nfs/dbraw/zinc/46/86/05/573468605.db2.gz QZMAEXOOJKMJHZ-KHQFGBGNSA-N 0 0 168.236 1.781 10 0 ADAERN COC(=O)[C@@]1(C(C)=O)CC[C@@H]1C 86501934 573468607 /nfs/dbraw/zinc/46/86/07/573468607.db2.gz GTPHYQKJCVHMAP-RCOVLWMOSA-N 0 0 170.208 1.165 10 0 ADAERN CCCC1([C@H](O)c2cn(C)nn2)CC1 308583262 573469368 /nfs/dbraw/zinc/46/93/68/573469368.db2.gz QKNCUUFTNYFFHB-SECBINFHSA-N 0 0 195.266 1.429 10 0 ADAERN COC[C@@]1(O)CCC[C@@H](C)C1 86518151 573468623 /nfs/dbraw/zinc/46/86/23/573468623.db2.gz MMWGBIICIKBSLY-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@H]1COc2cc(O)ccc2C1 257815567 573468632 /nfs/dbraw/zinc/46/86/32/573468632.db2.gz CYUTYBQEFDYBSV-QMMMGPOBSA-N 0 0 194.230 1.590 10 0 ADAERN COc1ccc([C@H](C)[NH3+])c(C(=O)[O-])c1 211799585 573468646 /nfs/dbraw/zinc/46/86/46/573468646.db2.gz OGFWKYNFJPVJLO-LURJTMIESA-N 0 0 195.218 1.413 10 0 ADAERN CC[C@@](C)(O)COC(C)C 86518574 573468658 /nfs/dbraw/zinc/46/86/58/573468658.db2.gz RHKDEGARICXBOS-MRVPVSSYSA-N 0 0 146.230 1.572 10 0 ADAERN Nc1cc(-c2ccccc2N)c[nH]1 258037474 573468682 /nfs/dbraw/zinc/46/86/82/573468682.db2.gz DGRWWRYPVLNETI-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN COC(=O)Cc1cocc1C 259461362 573468683 /nfs/dbraw/zinc/46/86/83/573468683.db2.gz ACEQSJQVNCOYAC-UHFFFAOYSA-N 0 0 154.165 1.304 10 0 ADAERN O=C([O-])c1cnoc1[C@H]1CCCC[NH2+]1 258390092 573468684 /nfs/dbraw/zinc/46/86/84/573468684.db2.gz BBDSQJWFFYYDAW-SSDOTTSWSA-N 0 0 196.206 1.187 10 0 ADAERN Nc1noc(C(F)(F)F)c1Cl 86517373 573468692 /nfs/dbraw/zinc/46/86/92/573468692.db2.gz UHMSKSDRCCJQQF-UHFFFAOYSA-N 0 0 186.520 1.929 10 0 ADAERN COC(=O)c1ccc2c(c1)C[NH2+][C@@H]2C 238405703 573468694 /nfs/dbraw/zinc/46/86/94/573468694.db2.gz RXRJTXYTNMOPEL-SSDOTTSWSA-N 0 0 191.230 1.637 10 0 ADAERN Cc1ccc(Cl)cc1NCNN 258665061 573468696 /nfs/dbraw/zinc/46/86/96/573468696.db2.gz NXUFOQHFHNGPSF-UHFFFAOYSA-N 0 0 185.658 1.481 10 0 ADAERN CCOCC1(O)CCCCC1 86518089 573468697 /nfs/dbraw/zinc/46/86/97/573468697.db2.gz ITPBQNHFKQUDKR-UHFFFAOYSA-N 0 0 158.241 1.718 10 0 ADAERN CC(=O)c1cc([C@H]2CCOC2)on1 258400741 573468712 /nfs/dbraw/zinc/46/87/12/573468712.db2.gz CEGQGPASZORXJD-ZETCQYMHSA-N 0 0 181.191 1.381 10 0 ADAERN COc1cccn2c(C(C)C)nnc12 258389498 573468724 /nfs/dbraw/zinc/46/87/24/573468724.db2.gz UGVNNABVSYTNDR-UHFFFAOYSA-N 0 0 191.234 1.861 10 0 ADAERN CCCC[C@@H](NN)c1csnn1 130106696 573468729 /nfs/dbraw/zinc/46/87/29/573468729.db2.gz GUVVOVUZYIZEHM-ZCFIWIBFSA-N 0 0 186.284 1.233 10 0 ADAERN C[C@@]1(CO)Oc2ccc(F)cc2O1 258401457 573468731 /nfs/dbraw/zinc/46/87/31/573468731.db2.gz ZBRRXFAMSAYJJU-SECBINFHSA-N 0 0 184.166 1.305 10 0 ADAERN C[C@]1(c2cccc(F)c2)NCCC1=O 107276355 573468758 /nfs/dbraw/zinc/46/87/58/573468758.db2.gz UMRCQABXSIUKMY-LLVKDONJSA-N 0 0 193.221 1.603 10 0 ADAERN COc1c(F)ccc2cnoc12 238409357 573468799 /nfs/dbraw/zinc/46/87/99/573468799.db2.gz AVOWGALBXPIBNR-UHFFFAOYSA-N 0 0 167.139 1.976 10 0 ADAERN C[C@@H]1Cc2ccccc2O[C@@H]1O 238409269 573468832 /nfs/dbraw/zinc/46/88/32/573468832.db2.gz GNYUPPUOTKNBLS-XCBNKYQSSA-N 0 0 164.204 1.576 10 0 ADAERN CO[C@H](C)c1ccccc1CCON 259460626 573468847 /nfs/dbraw/zinc/46/88/47/573468847.db2.gz NGYIXMDLMSAGIY-SECBINFHSA-N 0 0 195.262 1.827 10 0 ADAERN COc1cc(CO)ncc1C1CC1 238409735 573468851 /nfs/dbraw/zinc/46/88/51/573468851.db2.gz SHZRJKMATJYSOH-UHFFFAOYSA-N 0 0 179.219 1.460 10 0 ADAERN CC(C)OC(=O)[C@@H]1CC=CC[C@H]1CO 308582994 573468853 /nfs/dbraw/zinc/46/88/53/573468853.db2.gz KUAHNSJBFHEIMY-VHSXEESVSA-N 0 0 198.262 1.513 10 0 ADAERN C[C@H]1Nc2cccc(O)c2SC1=O 258393218 573468855 /nfs/dbraw/zinc/46/88/55/573468855.db2.gz BHGRIQNLOCATAI-RXMQYKEDSA-N 0 0 195.243 1.825 10 0 ADAERN COCc1cocc1CC(=O)OC 259461326 573468872 /nfs/dbraw/zinc/46/88/72/573468872.db2.gz ABCSFEGGQNVFIA-UHFFFAOYSA-N 0 0 184.191 1.142 10 0 ADAERN CC1(C)C[NH2+][C@](C)(c2cccnc2)O1 258663511 573468877 /nfs/dbraw/zinc/46/88/77/573468877.db2.gz SOIPIMDVSLWTBM-NSHDSACASA-N 0 0 192.262 1.653 10 0 ADAERN CCn1c(CC(C)C)cc(N)cc1=O 257820630 573468878 /nfs/dbraw/zinc/46/88/78/573468878.db2.gz FSQGBMVJDHSVAQ-UHFFFAOYSA-N 0 0 194.278 1.649 10 0 ADAERN COCCCOc1cnoc1 258388075 573468891 /nfs/dbraw/zinc/46/88/91/573468891.db2.gz HPQNAOZMNJISSD-UHFFFAOYSA-N 0 0 157.169 1.090 10 0 ADAERN C[C@@H]1CC(=O)N(c2cccc(F)c2)N1 257815590 573468895 /nfs/dbraw/zinc/46/88/95/573468895.db2.gz CZPFMLOPWRBKGK-SSDOTTSWSA-N 0 0 194.209 1.456 10 0 ADAERN NOC[C@H]1Cc2c(F)cccc2N1 258356945 573468900 /nfs/dbraw/zinc/46/89/00/573468900.db2.gz YWPOMDQCMGMMQR-ZCFIWIBFSA-N 0 0 182.198 1.053 10 0 ADAERN CCCOCC(O)(CC)CC 86518575 573468942 /nfs/dbraw/zinc/46/89/42/573468942.db2.gz FNFKMJVRDHWAOR-UHFFFAOYSA-N 0 0 160.257 1.964 10 0 ADAERN COc1c(F)ccc2c[nH]nc12 238409309 573468954 /nfs/dbraw/zinc/46/89/54/573468954.db2.gz KSGXZOBIHCAHRK-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN C[C@H]1CC(=O)N(c2cccc(F)c2)N1 257815591 573468986 /nfs/dbraw/zinc/46/89/86/573468986.db2.gz CZPFMLOPWRBKGK-ZETCQYMHSA-N 0 0 194.209 1.456 10 0 ADAERN COCO[C@H](C)[C@H](O)c1ccccc1 308583074 573468995 /nfs/dbraw/zinc/46/89/95/573468995.db2.gz KVADZCMLZSEXJJ-KOLCDFICSA-N 0 0 196.246 1.729 10 0 ADAERN C[C@H](O)CCCn1ccc([C@H](C)O)c1 308593108 573469025 /nfs/dbraw/zinc/46/90/25/573469025.db2.gz WTRLPZKYTXRSIO-UWVGGRQHSA-N 0 0 197.278 1.702 10 0 ADAERN CC(=O)c1cnoc1[C@H]1CCCN1C 258396869 573469031 /nfs/dbraw/zinc/46/90/31/573469031.db2.gz BORHCKXFQGMNCN-SECBINFHSA-N 0 0 194.234 1.644 10 0 ADAERN CC[C@](C)(CO)CNc1ccccn1 308584246 573469064 /nfs/dbraw/zinc/46/90/64/573469064.db2.gz HSIPRSHQFMZXQX-NSHDSACASA-N 0 0 194.278 1.902 10 0 ADAERN COC(=O)c1ccc2cnoc2c1F 238408719 573469065 /nfs/dbraw/zinc/46/90/65/573469065.db2.gz WBVGBKXTNCRPHJ-UHFFFAOYSA-N 0 0 195.149 1.754 10 0 ADAERN CC(C)(C)n1nc(N)c2c1COCC2 257815541 573469068 /nfs/dbraw/zinc/46/90/68/573469068.db2.gz CXYDMORWAOCFQP-UHFFFAOYSA-N 0 0 195.266 1.293 10 0 ADAERN COc1c(F)ccc2[nH]cnc12 238408770 573469073 /nfs/dbraw/zinc/46/90/73/573469073.db2.gz RGEWSHVHRROCHH-UHFFFAOYSA-N 0 0 166.155 1.711 10 0 ADAERN O=Cc1ccc(Cl)c2c1OCO2 257815745 573469075 /nfs/dbraw/zinc/46/90/75/573469075.db2.gz CWSNUSTUZRNKMB-UHFFFAOYSA-N 0 0 184.578 1.881 10 0 ADAERN C[C@@H](NO)[C@H]1C(=O)Nc2ccccc21 238409359 573469094 /nfs/dbraw/zinc/46/90/94/573469094.db2.gz MHIZQGWWOAGXCB-HZGVNTEJSA-N 0 0 192.218 1.090 10 0 ADAERN CO[C@@]1(CO)CCc2cc(F)ccc21 257816020 573469100 /nfs/dbraw/zinc/46/91/00/573469100.db2.gz DHKMHPWWHOVHPG-LLVKDONJSA-N 0 0 196.221 1.606 10 0 ADAERN Nc1cc(O)ccc1[C@H](O)C1CCC1 257815600 573469108 /nfs/dbraw/zinc/46/91/08/573469108.db2.gz DAJFQWDECPTBFK-LLVKDONJSA-N 0 0 193.246 1.808 10 0 ADAERN C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C(C)(C)C 107273903 573469117 /nfs/dbraw/zinc/46/91/17/573469117.db2.gz VKEINYDOFUJQQR-SFYZADRCSA-N 0 0 185.267 1.437 10 0 ADAERN CCn1ccc(CNOC(C)C)c1 393523942 573469120 /nfs/dbraw/zinc/46/91/20/573469120.db2.gz RZRBBZNTQODIIG-UHFFFAOYSA-N 0 0 182.267 1.938 10 0 ADAERN CO[C@]1(CO)CCc2cc(F)ccc21 257816021 573469144 /nfs/dbraw/zinc/46/91/44/573469144.db2.gz DHKMHPWWHOVHPG-NSHDSACASA-N 0 0 196.221 1.606 10 0 ADAERN COC[C@@H](F)c1cccc(N)c1 107277821 573469162 /nfs/dbraw/zinc/46/91/62/573469162.db2.gz DBMTVKIMTNELRB-SECBINFHSA-N 0 0 169.199 1.926 10 0 ADAERN CCOC[C@]1(O)CCc2ccccc21 86518352 573469169 /nfs/dbraw/zinc/46/91/69/573469169.db2.gz BDTPLDIBXLYODZ-GFCCVEGCSA-N 0 0 192.258 1.857 10 0 ADAERN COCO[C@H](C)[C@@H](O)c1ccccc1 308583075 573469181 /nfs/dbraw/zinc/46/91/81/573469181.db2.gz KVADZCMLZSEXJJ-MWLCHTKSSA-N 0 0 196.246 1.729 10 0 ADAERN CCC1CCC(O)(COC)CC1 86518213 573469213 /nfs/dbraw/zinc/46/92/13/573469213.db2.gz VHOHGZHVKKYMPE-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN CCc1onc(N)c1Cl 86517340 573469218 /nfs/dbraw/zinc/46/92/18/573469218.db2.gz RORYIXUJLCUDMX-UHFFFAOYSA-N 0 0 146.577 1.473 10 0 ADAERN CC(=O)O[C@@H]1CCC(=O)C[C@H]1C 238409090 573469221 /nfs/dbraw/zinc/46/92/21/573469221.db2.gz VGNJITJNBKWYDU-HZGVNTEJSA-N 0 0 170.208 1.307 10 0 ADAERN CCc1[nH]c(=O)oc1C(F)(F)F 257815766 573469228 /nfs/dbraw/zinc/46/92/28/573469228.db2.gz CXSMBYAVKAABTM-UHFFFAOYSA-N 0 0 181.113 1.961 10 0 ADAERN COCCc1cn2c(n1)C[C@H](C)CC2 258395897 573469230 /nfs/dbraw/zinc/46/92/30/573469230.db2.gz NJQLPUZPXQTVOY-SECBINFHSA-N 0 0 194.278 1.654 10 0 ADAERN COC(=O)C[C@@](C)(CO)CC(C)C 257815967 573469236 /nfs/dbraw/zinc/46/92/36/573469236.db2.gz DENOMIBPWZMTSG-JTQLQIEISA-N 0 0 188.267 1.594 10 0 ADAERN CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)C(=O)[O-] 308583560 573469237 /nfs/dbraw/zinc/46/92/37/573469237.db2.gz QNZVADCBLLVKMG-JLIMGVALSA-N 0 0 199.294 1.730 10 0 ADAERN CC(=O)OC[C@@H](O)C=C=CC(C)(C)C 308583061 573469261 /nfs/dbraw/zinc/46/92/61/573469261.db2.gz KUSYGYVOUSCNLT-MDNDIQLQSA-N 0 0 198.262 1.668 10 0 ADAERN C[C@@H]1Cc2ccccc2O[C@H]1O 238409286 573469264 /nfs/dbraw/zinc/46/92/64/573469264.db2.gz GNYUPPUOTKNBLS-GMSGAONNSA-N 0 0 164.204 1.576 10 0 ADAERN OC[C@@H]1CC[C@H]1c1ccc(O)cc1 257815785 573469277 /nfs/dbraw/zinc/46/92/77/573469277.db2.gz CYEULIMBISNSOQ-ONGXEEELSA-N 0 0 178.231 1.878 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/nfs/dbraw/zinc/46/93/82/573469382.db2.gz PZVSCQLCAHWZQU-UHFFFAOYSA-N 0 0 158.241 1.718 10 0 ADAERN CCN(CC)C(=O)OC/C=C/CO 238228655 573469403 /nfs/dbraw/zinc/46/94/03/573469403.db2.gz BPOILRPHZAPXRA-AATRIKPKSA-N 0 0 187.239 1.013 10 0 ADAERN CCCc1onc(N)c1Cl 86517328 573469414 /nfs/dbraw/zinc/46/94/14/573469414.db2.gz GEJNVHIURCKUAY-UHFFFAOYSA-N 0 0 160.604 1.863 10 0 ADAERN C[C@](F)(c1ccccc1)[C@H]([NH3+])C(=O)[O-] 238408649 573469418 /nfs/dbraw/zinc/46/94/18/573469418.db2.gz ZGLZJRYDTCHBNC-SCZZXKLOSA-N 0 0 197.209 1.283 10 0 ADAERN NN[C@@H](C1=CCCCC1)[C@H]1CCOC1 236241737 573469435 /nfs/dbraw/zinc/46/94/35/573469435.db2.gz QQPRLLJQERYGLW-QWRGUYRKSA-N 0 0 196.294 1.355 10 0 ADAERN O=C([O-])C1=C(C2CCC2)CC[NH2+]C1 257815806 573469439 /nfs/dbraw/zinc/46/94/39/573469439.db2.gz CZCXRAOXBYFSNB-UHFFFAOYSA-N 0 0 181.235 1.161 10 0 ADAERN C[C@H](O)CCCn1ccc([C@@H](C)O)c1 308593110 573469459 /nfs/dbraw/zinc/46/94/59/573469459.db2.gz WTRLPZKYTXRSIO-VHSXEESVSA-N 0 0 197.278 1.702 10 0 ADAERN 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0 0 195.266 1.453 10 0 ADAERN C[C@@H]1C[C@@H]1N1CNC2(CCCC2)C1=O 124427366 573469676 /nfs/dbraw/zinc/46/96/76/573469676.db2.gz MVAXJSRGFQWQCI-BDAKNGLRSA-N 0 0 194.278 1.097 10 0 ADAERN CCOC[C@](C)(O)C1CC1 86518592 573469678 /nfs/dbraw/zinc/46/96/78/573469678.db2.gz LLOSFUBZDSBELT-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN Nc1cc(CC[NH+]2CCCCC2)on1 258400463 573469696 /nfs/dbraw/zinc/46/96/96/573469696.db2.gz CAPIAUZSLUKPCN-UHFFFAOYSA-N 0 0 195.266 1.285 10 0 ADAERN COc1ncc(C=O)cc1C(F)F 238409007 573469709 /nfs/dbraw/zinc/46/97/09/573469709.db2.gz ZJZWOFPVKKPHMM-UHFFFAOYSA-N 0 0 187.145 1.840 10 0 ADAERN CC(C)(C)Oc1cnoc1 258391509 573469710 /nfs/dbraw/zinc/46/97/10/573469710.db2.gz HWMAAPRPTAHEQH-UHFFFAOYSA-N 0 0 141.170 1.852 10 0 ADAERN CCCOC[C@@H](O)c1ccccn1 86519269 573469712 /nfs/dbraw/zinc/46/97/12/573469712.db2.gz SLNNZDRUBFWZLL-SNVBAGLBSA-N 0 0 181.235 1.542 10 0 ADAERN OC/C=C/c1ccc[nH]1 78422214 573469728 /nfs/dbraw/zinc/46/97/28/573469728.db2.gz NOIAYORUEDGCKF-DUXPYHPUSA-N 0 0 123.155 1.020 10 0 ADAERN CCOC[C@@]1(O)CCC[C@@H](C)C1 86518143 573469732 /nfs/dbraw/zinc/46/97/32/573469732.db2.gz QDIJYZBVVQMYBS-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@@H]1C[NH2+][C@H](C)c2ccncc21 238405723 573469746 /nfs/dbraw/zinc/46/97/46/573469746.db2.gz DILOJEQWDDEHEA-HTQZYQBOSA-N 0 0 162.236 1.849 10 0 ADAERN CCOCC1(O)CCC(C)CC1 86518169 573469753 /nfs/dbraw/zinc/46/97/53/573469753.db2.gz BIKKKPBIESEONX-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN CCCC[C@H](NN)c1cnsn1 130109935 573469783 /nfs/dbraw/zinc/46/97/83/573469783.db2.gz MRORBQSHPIXXMU-LURJTMIESA-N 0 0 186.284 1.233 10 0 ADAERN COc1cc(CO)ncc1C(F)F 238409713 573469797 /nfs/dbraw/zinc/46/97/97/573469797.db2.gz PENIYLRSIKBLQL-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN C[C@@H](O)c1ccc(CNO)cc1 258037533 573469805 /nfs/dbraw/zinc/46/98/05/573469805.db2.gz PRSJWUBHBCLNFD-SSDOTTSWSA-N 0 0 167.208 1.219 10 0 ADAERN C[C@@](O)(CCCO)c1cccs1 259466092 573469806 /nfs/dbraw/zinc/46/98/06/573469806.db2.gz XGGNZVLKASKVLI-SECBINFHSA-N 0 0 186.276 1.728 10 0 ADAERN COC(=O)c1ccc2[nH]cnc2c1C 238409565 573469809 /nfs/dbraw/zinc/46/98/09/573469809.db2.gz UNUYQWXDVHFUTC-UHFFFAOYSA-N 0 0 190.202 1.658 10 0 ADAERN CCC(CC)[C@H](O)COC 86519385 573469816 /nfs/dbraw/zinc/46/98/16/573469816.db2.gz DVOSQMYTKXWSGD-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN C[C@@]1(c2ccccc2F)NCCC1=O 107275721 573469819 /nfs/dbraw/zinc/46/98/19/573469819.db2.gz KZGYSFHDWNRFRX-NSHDSACASA-N 0 0 193.221 1.603 10 0 ADAERN CC12COC(C3CCCC3)(OC1)OC2 258497045 573469827 /nfs/dbraw/zinc/46/98/27/573469827.db2.gz BPFHOSJUBDWVKF-UHFFFAOYSA-N 0 0 198.262 1.914 10 0 ADAERN COC[C@@]1(O)CCc2ccccc2C1 86518615 573469833 /nfs/dbraw/zinc/46/98/33/573469833.db2.gz WNOUICFAKQOQIO-GFCCVEGCSA-N 0 0 192.258 1.553 10 0 ADAERN OCC[C@@H]1CCC[N@@H+]1Cc1ccoc1 308582984 573469842 /nfs/dbraw/zinc/46/98/42/573469842.db2.gz KTZNCIMJNBMWGM-NSHDSACASA-N 0 0 195.262 1.626 10 0 ADAERN COc1cc2c[nH+]cn2cc1OC 238405747 573469854 /nfs/dbraw/zinc/46/98/54/573469854.db2.gz XBDXPJDGAABZQM-UHFFFAOYSA-N 0 0 178.191 1.352 10 0 ADAERN COc1c(F)ccc2[nH]c(=O)[nH]c12 238408679 573469862 /nfs/dbraw/zinc/46/98/62/573469862.db2.gz KMCVPKDNIMEVNJ-UHFFFAOYSA-N 0 0 182.154 1.004 10 0 ADAERN C[C@H](O)c1ccn(CCC[C@@H](C)O)c1 308593111 573469874 /nfs/dbraw/zinc/46/98/74/573469874.db2.gz WTRLPZKYTXRSIO-ZJUUUORDSA-N 0 0 197.278 1.702 10 0 ADAERN Nc1noc(-c2cccnc2)c1Cl 86517412 573469879 /nfs/dbraw/zinc/46/98/79/573469879.db2.gz BTSCEXZCNPXCAL-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CCCCCCc1ccn(C(N)=O)n1 238231995 573469888 /nfs/dbraw/zinc/46/98/88/573469888.db2.gz OIGVFSGZBLVKBX-UHFFFAOYSA-N 0 0 195.266 1.933 10 0 ADAERN COc1cc2c[nH+]cn2cc1C 238405687 573469903 /nfs/dbraw/zinc/46/99/03/573469903.db2.gz PGGULNUOKQCSEM-UHFFFAOYSA-N 0 0 162.192 1.651 10 0 ADAERN C[C@@H]1CC(=O)CC[C@]12CCCO2 238409139 573469925 /nfs/dbraw/zinc/46/99/25/573469925.db2.gz RVJKFGFLNXEYMZ-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN CONCc1ccc(C)c(O)c1C 258037481 573469935 /nfs/dbraw/zinc/46/99/35/573469935.db2.gz PQBCQWGFQZBYGR-UHFFFAOYSA-N 0 0 181.235 1.660 10 0 ADAERN CCOC(=O)c1cnncc1CC 259465537 573469945 /nfs/dbraw/zinc/46/99/45/573469945.db2.gz APGLGOUJESBVNQ-UHFFFAOYSA-N 0 0 180.207 1.216 10 0 ADAERN CCC[C@@](C)(COC(N)=O)[C@@H](C)O 238225927 573469966 /nfs/dbraw/zinc/46/99/66/573469966.db2.gz XFBZYMWXBCFQJE-APPZFPTMSA-N 0 0 189.255 1.269 10 0 ADAERN CCOC(=O)c1scc(N)c1C 259462645 573469972 /nfs/dbraw/zinc/46/99/72/573469972.db2.gz AFSXMISDERCEIW-UHFFFAOYSA-N 0 0 185.248 1.815 10 0 ADAERN COCC1(O)CCC(C)CC1 86518172 573469973 /nfs/dbraw/zinc/46/99/73/573469973.db2.gz BALWYKYRBWHTLN-UHFFFAOYSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)[NH+]1CC([C@H](C)C(=O)[O-])C1 124426469 573469976 /nfs/dbraw/zinc/46/99/76/573469976.db2.gz REZWBNGFPNFFJY-ZETCQYMHSA-N 0 0 171.240 1.047 10 0 ADAERN COC(=O)c1cc2[nH]oc(C)c-2n1 259465559 573469995 /nfs/dbraw/zinc/46/99/95/573469995.db2.gz AQCCUXVKDNRMJM-UHFFFAOYSA-N 0 0 180.163 1.251 10 0 ADAERN C[C@]1(c2nc(C=O)n[nH]2)CCSC1 258037592 573469998 /nfs/dbraw/zinc/46/99/98/573469998.db2.gz IZWUVZZDKFBEPE-QMMMGPOBSA-N 0 0 197.263 1.012 10 0 ADAERN CCCC1([C@@H](O)c2cn(C)nn2)CC1 308583264 573470005 /nfs/dbraw/zinc/47/00/05/573470005.db2.gz QKNCUUFTNYFFHB-VIFPVBQESA-N 0 0 195.266 1.429 10 0 ADAERN COC(=O)C1(C(C)=O)CC=CC1 86501917 573470011 /nfs/dbraw/zinc/47/00/11/573470011.db2.gz VXFILLHPSWSOGO-UHFFFAOYSA-N 0 0 168.192 1.085 10 0 ADAERN Nc1cc(Cl)c(=O)n2c1CCCC2 258037491 573470013 /nfs/dbraw/zinc/47/00/13/573470013.db2.gz PQPSBKLBSVECMC-UHFFFAOYSA-N 0 0 198.653 1.420 10 0 ADAERN C[C@@H]1Cc2ccccc2NC(=S)N1 238409123 573470018 /nfs/dbraw/zinc/47/00/18/573470018.db2.gz SOJGTLXCMDDEOY-SSDOTTSWSA-N 0 0 192.287 1.918 10 0 ADAERN CCOC[C@@](C)(O)CC 86518568 573470019 /nfs/dbraw/zinc/47/00/19/573470019.db2.gz XZHMDEGGGZCSES-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN CCn1cc(C[C@H](C)[C@@H](C)O)cn1 50543718 573470037 /nfs/dbraw/zinc/47/00/37/573470037.db2.gz VUPJYNQRJBJANG-DTWKUNHWSA-N 0 0 182.267 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CCOC[C@]1(O)CCCC[C@H]1C 86518241 573470144 /nfs/dbraw/zinc/47/01/44/573470144.db2.gz OCKKTYJWIFVMLF-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(=O)c1c[nH]c(COC2CCC2)n1 714945709 573470145 /nfs/dbraw/zinc/47/01/45/573470145.db2.gz WZSYEVUIEPWKEN-UHFFFAOYSA-N 0 0 194.234 1.681 10 0 ADAERN COC(=O)c1ccc2nc(C)oc2n1 238409188 573470154 /nfs/dbraw/zinc/47/01/54/573470154.db2.gz TVTSTCVNKOXGFY-UHFFFAOYSA-N 0 0 192.174 1.318 10 0 ADAERN CC(C)c1cncc(CCO)c1 259465844 573470155 /nfs/dbraw/zinc/47/01/55/573470155.db2.gz WJSRRALSQKBZKN-UHFFFAOYSA-N 0 0 165.236 1.740 10 0 ADAERN Nc1c2c(cc3c1OCC3)OCC2 259463118 573470181 /nfs/dbraw/zinc/47/01/81/573470181.db2.gz WGWULQKGNRVZCE-UHFFFAOYSA-N 0 0 177.203 1.139 10 0 ADAERN C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C(C)(C)C 107273908 573470187 /nfs/dbraw/zinc/47/01/87/573470187.db2.gz VKEINYDOFUJQQR-YUMQZZPRSA-N 0 0 185.267 1.437 10 0 ADAERN COc1ccc(C)cc1CNO 75067612 573470190 /nfs/dbraw/zinc/47/01/90/573470190.db2.gz YPFOUOGLBIOTDS-UHFFFAOYSA-N 0 0 167.208 1.482 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/nfs/dbraw/zinc/47/08/63/573470863.db2.gz HSIPRSHQFMZXQX-LLVKDONJSA-N 0 0 194.278 1.902 10 0 ADAERN C[C@](O)(CCCO)c1cccs1 259466093 573470868 /nfs/dbraw/zinc/47/08/68/573470868.db2.gz XGGNZVLKASKVLI-VIFPVBQESA-N 0 0 186.276 1.728 10 0 ADAERN CC(C)OC[C@H](O)C(C)C 86519327 573470898 /nfs/dbraw/zinc/47/08/98/573470898.db2.gz YSGRQAPTMLBELH-QMMMGPOBSA-N 0 0 146.230 1.428 10 0 ADAERN Cc1cc(C)cc([C@H](O)[C@H](C)O)c1 235603511 573470914 /nfs/dbraw/zinc/47/09/14/573470914.db2.gz WASMWCUPUMRNNA-GXSJLCMTSA-N 0 0 180.247 1.718 10 0 ADAERN O=C1CNCCc2ccc(F)cc21 211828515 573470915 /nfs/dbraw/zinc/47/09/15/573470915.db2.gz DHWOLCQGPRMANB-UHFFFAOYSA-N 0 0 179.194 1.154 10 0 ADAERN COc1cc(CO)nc(C(F)F)c1 238409176 573470922 /nfs/dbraw/zinc/47/09/22/573470922.db2.gz HYCZGHYIAODKCK-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN COCCCC(=O)COC(C)C 86521748 573472890 /nfs/dbraw/zinc/47/28/90/573472890.db2.gz ISWXFWACRXUXSG-UHFFFAOYSA-N 0 0 174.240 1.407 10 0 ADAERN O=c1cnccn1C[C@@H]1CCCS1 715822943 573472892 /nfs/dbraw/zinc/47/28/92/573472892.db2.gz HTYSLFREEQXYAN-QMMMGPOBSA-N 0 0 196.275 1.139 10 0 ADAERN C/C=C\C(=O)N[C@@H]1CCC[C@H](CO)C1 308592976 573472900 /nfs/dbraw/zinc/47/29/00/573472900.db2.gz PXKQYSRBKILWTK-VIUYQSDNSA-N 0 0 197.278 1.230 10 0 ADAERN C[C@H](O)c1ccc(CNO)cc1 258037534 573472905 /nfs/dbraw/zinc/47/29/05/573472905.db2.gz PRSJWUBHBCLNFD-ZETCQYMHSA-N 0 0 167.208 1.219 10 0 ADAERN COCO[C@@H](C)[C@@H](O)c1ccccc1 308583072 573472923 /nfs/dbraw/zinc/47/29/23/573472923.db2.gz KVADZCMLZSEXJJ-GXSJLCMTSA-N 0 0 196.246 1.729 10 0 ADAERN CC(C)(O)[C@@H]1Cc2ccccc2N1 83388804 573472931 /nfs/dbraw/zinc/47/29/31/573472931.db2.gz WVZRABNYOXMCOE-JTQLQIEISA-N 0 0 177.247 1.794 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)c1ccsn1 689959338 573472941 /nfs/dbraw/zinc/47/29/41/573472941.db2.gz VPATUHFYWLYLAK-UIISKDMLSA-N 0 0 185.248 1.211 10 0 ADAERN Cc1ccc([C@@H]([NH3+])/C=C/C(=O)[O-])cc1 259466245 573472946 /nfs/dbraw/zinc/47/29/46/573472946.db2.gz OWWSLIYKMFDOQF-FGEFZZPRSA-N 0 0 191.230 1.636 10 0 ADAERN COC[C@]1(O)CCO[C@@H](C(C)C)C1 86520131 573472960 /nfs/dbraw/zinc/47/29/60/573472960.db2.gz RDRKRXWHIFTRKU-ZJUUUORDSA-N 0 0 188.267 1.199 10 0 ADAERN COc1cccn2c(C=O)ncc12 257820835 573472970 /nfs/dbraw/zinc/47/29/70/573472970.db2.gz FRXYDMKIDPIPFE-UHFFFAOYSA-N 0 0 176.175 1.155 10 0 ADAERN Cc1cc(NCc2ncc[nH]2)n[nH]1 83340309 573472971 /nfs/dbraw/zinc/47/29/71/573472971.db2.gz KMCCHRREZBLIOM-UHFFFAOYSA-N 0 0 177.211 1.053 10 0 ADAERN COC(=O)/C=C(C)/C=C\CCCCO 388689564 573472972 /nfs/dbraw/zinc/47/29/72/573472972.db2.gz LNNFUGRHIKJBHD-ROBNAOGRSA-N 0 0 198.262 1.825 10 0 ADAERN Cc1ccc(F)cc1CC(N)=S 83340839 573472984 /nfs/dbraw/zinc/47/29/84/573472984.db2.gz NFHUYNUVKISTFQ-UHFFFAOYSA-N 0 0 183.251 1.963 10 0 ADAERN COCCOC(=O)C[C@H](C)C(C)C 308391201 573472993 /nfs/dbraw/zinc/47/29/93/573472993.db2.gz ZQRVLJXOEFZLRX-VIFPVBQESA-N 0 0 188.267 1.858 10 0 ADAERN CC(C)OC[C@]1(O)CCCOCC1 86520768 573473014 /nfs/dbraw/zinc/47/30/14/573473014.db2.gz QWWNJXBVGGFMRL-JTQLQIEISA-N 0 0 188.267 1.343 10 0 ADAERN CONCc1c(F)cccc1F 75067692 573473015 /nfs/dbraw/zinc/47/30/15/573473015.db2.gz ZIGARWUZMFVKGE-UHFFFAOYSA-N 0 0 173.162 1.616 10 0 ADAERN CC[C@]1(CC(C)C)NC(=O)NC1=O 142375604 573473035 /nfs/dbraw/zinc/47/30/35/573473035.db2.gz UJCKNHRYQJKBOK-SECBINFHSA-N 0 0 184.239 1.021 10 0 ADAERN CC(C)OC(=O)[C@H]1CC=CC[C@@H]1CO 308582995 573473056 /nfs/dbraw/zinc/47/30/56/573473056.db2.gz KUAHNSJBFHEIMY-ZJUUUORDSA-N 0 0 198.262 1.513 10 0 ADAERN COC[C@@H](O)[C@@H]1Cc2ccccc21 86523023 573473059 /nfs/dbraw/zinc/47/30/59/573473059.db2.gz CTJWHYCIOQHHNW-GHMZBOCLSA-N 0 0 178.231 1.334 10 0 ADAERN CC[C@H]1CCC[C@@](O)(COC)C1 86520230 573473073 /nfs/dbraw/zinc/47/30/73/573473073.db2.gz GEUJZQYDJBXBIU-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)OC[C@@]1(O)CCO[C@@H](C)C1 86520038 573473079 /nfs/dbraw/zinc/47/30/79/573473079.db2.gz HKXFYEMEOOFSOR-VHSXEESVSA-N 0 0 188.267 1.341 10 0 ADAERN CCc1nc(CC)nc(NC)n1 2011222 573473081 /nfs/dbraw/zinc/47/30/81/573473081.db2.gz MIXYECNVYAOZMR-UHFFFAOYSA-N 0 0 166.228 1.038 10 0 ADAERN CC(C)=Cc1nnc(C2(N)CC2)o1 83340407 573473091 /nfs/dbraw/zinc/47/30/91/573473091.db2.gz ZPDGOHXBFXSRRF-UHFFFAOYSA-N 0 0 179.223 1.441 10 0 ADAERN C[C@@H](C(=O)C1(C)CC1)[S@@](C)=O 238412115 573473115 /nfs/dbraw/zinc/47/31/15/573473115.db2.gz GGFPXDIIWRCYOW-UPONEAKYSA-N 0 0 174.265 1.123 10 0 ADAERN Oc1cccc(CCF)c1 107278913 573473127 /nfs/dbraw/zinc/47/31/27/573473127.db2.gz ASDXJYMACIZKHU-UHFFFAOYSA-N 0 0 140.157 1.904 10 0 ADAERN CC[C@@]1(C)C[C@](O)(COC)CCO1 86520180 573473146 /nfs/dbraw/zinc/47/31/46/573473146.db2.gz VSYXYTGSFOQTGG-UWVGGRQHSA-N 0 0 188.267 1.343 10 0 ADAERN CONCc1cccc(O)c1 75067545 573473149 /nfs/dbraw/zinc/47/31/49/573473149.db2.gz INBLXKPSCHYIDC-UHFFFAOYSA-N 0 0 153.181 1.043 10 0 ADAERN Cc1ccnc([C@@H](O)COC(C)C)c1 86522900 573473173 /nfs/dbraw/zinc/47/31/73/573473173.db2.gz VVIJNGGYEXVKEP-NSHDSACASA-N 0 0 195.262 1.848 10 0 ADAERN COC[C@@]1(O)CCC[C@@H]1C 86520695 573473203 /nfs/dbraw/zinc/47/32/03/573473203.db2.gz QDCOWTHUQVRYAE-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CC/C=C\C(=O)O[C@H]1CCCOC1 308391072 573473205 /nfs/dbraw/zinc/47/32/05/573473205.db2.gz ZNSNOOYOTCFRSX-RWIWAZIYSA-N 0 0 184.235 1.675 10 0 ADAERN COC(=O)c1cc(N)c(C(C)C)[nH]1 259465539 573473209 /nfs/dbraw/zinc/47/32/09/573473209.db2.gz APHRJGRQFVREOY-UHFFFAOYSA-N 0 0 182.223 1.507 10 0 ADAERN CONCc1ccc2scnc2c1 75068125 573473218 /nfs/dbraw/zinc/47/32/18/573473218.db2.gz KSOOJYRDRQEETQ-UHFFFAOYSA-N 0 0 194.259 1.947 10 0 ADAERN Cc1oncc1COC(=O)C1CC1 308391788 573473225 /nfs/dbraw/zinc/47/32/25/573473225.db2.gz YSTSOAYLUJDKHX-UHFFFAOYSA-N 0 0 181.191 1.436 10 0 ADAERN Cc1nnc([C@H](N)CC2CC2)o1 83339855 573473235 /nfs/dbraw/zinc/47/32/35/573473235.db2.gz AFJYBEQFPYFESA-SSDOTTSWSA-N 0 0 167.212 1.178 10 0 ADAERN Cc1cccc([C@](C)(O)CON)c1 257820877 573473240 /nfs/dbraw/zinc/47/32/40/573473240.db2.gz FTOHILXRALWVPD-SNVBAGLBSA-N 0 0 181.235 1.093 10 0 ADAERN CCOCC(=O)C1CCC1 86521726 573473259 /nfs/dbraw/zinc/47/32/59/573473259.db2.gz HISKAWYGDKXEFV-UHFFFAOYSA-N 0 0 142.198 1.392 10 0 ADAERN CCc1cnccc1C[C@H](C)O 259462985 573473262 /nfs/dbraw/zinc/47/32/62/573473262.db2.gz WFXQOQNSYGFUDS-QMMMGPOBSA-N 0 0 165.236 1.567 10 0 ADAERN C[C@]1([C@H](O)C2=COCCC2)CCCO1 124446980 573473264 /nfs/dbraw/zinc/47/32/64/573473264.db2.gz BCABGAGSDYUWNJ-GHMZBOCLSA-N 0 0 198.262 1.611 10 0 ADAERN CCC[C@@H](C)/C=C\CO 144989905 573473271 /nfs/dbraw/zinc/47/32/71/573473271.db2.gz NFQOETVWTFJMMB-RZAAKKIOSA-N 0 0 128.215 1.971 10 0 ADAERN ONCc1ccc(Cl)c(F)c1 75067704 573473291 /nfs/dbraw/zinc/47/32/91/573473291.db2.gz PJVCOOGZYDXWDR-UHFFFAOYSA-N 0 0 175.590 1.958 10 0 ADAERN COC(=O)N(C)CCc1ccc(C)o1 258666458 573473321 /nfs/dbraw/zinc/47/33/21/573473321.db2.gz CDAUCVFPLVQAIY-UHFFFAOYSA-N 0 0 197.234 1.829 10 0 ADAERN O[C@H](C1CC1)[C@H]1COc2ccccc21 124449241 573473332 /nfs/dbraw/zinc/47/33/32/573473332.db2.gz LSCDNVXDSSOSNY-CMPLNLGQSA-N 0 0 190.242 1.934 10 0 ADAERN CC[N@H+](CC(C)C)[C@H](C)C(=O)NC 308391202 573473343 /nfs/dbraw/zinc/47/33/43/573473343.db2.gz ZQTYPCNAMQETSX-SECBINFHSA-N 0 0 186.299 1.099 10 0 ADAERN C[C@H]1C(=O)NC(=O)N1C1=CCCCC1 238412178 573473344 /nfs/dbraw/zinc/47/33/44/573473344.db2.gz LLDGVFLCWAUPRV-ZETCQYMHSA-N 0 0 194.234 1.385 10 0 ADAERN COc1ccc(/C(=C\F)CO)cc1 142259606 573473357 /nfs/dbraw/zinc/47/33/57/573473357.db2.gz FRSTUUNTTCOMEO-TWGQIWQCSA-N 0 0 182.194 1.998 10 0 ADAERN COC[C@H](O)Cc1c(C)cccc1C 126291515 573473372 /nfs/dbraw/zinc/47/33/72/573473372.db2.gz NXGCMRQIMROWTG-LLVKDONJSA-N 0 0 194.274 1.853 10 0 ADAERN C[C@@H]1CC(=O)NC[C@@H]1c1ccccc1 238411773 573473375 /nfs/dbraw/zinc/47/33/75/573473375.db2.gz KXCZSCYEHCAGPE-KOLCDFICSA-N 0 0 189.258 1.926 10 0 ADAERN O[C@@H](C1CC1)[C@H]1COc2ccccc21 124449691 573473413 /nfs/dbraw/zinc/47/34/13/573473413.db2.gz LSCDNVXDSSOSNY-JQWIXIFHSA-N 0 0 190.242 1.934 10 0 ADAERN COc1c(F)cnc(C(F)F)c1N 238411879 573473426 /nfs/dbraw/zinc/47/34/26/573473426.db2.gz WMYJXJUYQDUGJS-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CC[C@@H](O)[C@@H]1Cc2ccccc2N1 83388897 573473428 /nfs/dbraw/zinc/47/34/28/573473428.db2.gz GKNATRLRJABRRK-WDEREUQCSA-N 0 0 177.247 1.794 10 0 ADAERN CONCc1nc2sccn2c1C 75068263 573473434 /nfs/dbraw/zinc/47/34/34/573473434.db2.gz IBXVPUYTAWKYCD-UHFFFAOYSA-N 0 0 197.263 1.355 10 0 ADAERN C[C@H]1N=C(CCC(F)(F)F)NC1=O 235603743 573473448 /nfs/dbraw/zinc/47/34/48/573473448.db2.gz JYEASPFBWHXISC-SCSAIBSYSA-N 0 0 194.156 1.246 10 0 ADAERN CCc1cc2nc(C(=O)OC)cn2[nH]1 259462709 573473449 /nfs/dbraw/zinc/47/34/49/573473449.db2.gz AGLVQNILQPGMNR-UHFFFAOYSA-N 0 0 193.206 1.011 10 0 ADAERN CCOC[C@]1(O)CCC[C@@H]1C 86520677 573473463 /nfs/dbraw/zinc/47/34/63/573473463.db2.gz PCUNBGXYXPNOIR-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN COC[C@]1(O)CCC[C@H](C)CC1 86520808 573473486 /nfs/dbraw/zinc/47/34/86/573473486.db2.gz LADLRPDNOIAUBM-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H](N)c1nnc([C@H]2CC=CCC2)o1 83341969 573473496 /nfs/dbraw/zinc/47/34/96/573473496.db2.gz HGZHYOVIQMTRPE-YUMQZZPRSA-N 0 0 193.250 1.913 10 0 ADAERN CC[C@H]1CCCC[C@]1(O)COC 86520261 573473498 /nfs/dbraw/zinc/47/34/98/573473498.db2.gz FOBDHFBERGLASK-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN O[C@H]1CC[C@H](Oc2ccccn2)C1 259466152 573473506 /nfs/dbraw/zinc/47/35/06/573473506.db2.gz GWLVXVWHRJLBQR-IUCAKERBSA-N 0 0 179.219 1.374 10 0 ADAERN CC[C@H](O)[C@H]1Cc2ccccc2N1 83388898 573473515 /nfs/dbraw/zinc/47/35/15/573473515.db2.gz GKNATRLRJABRRK-MNOVXSKESA-N 0 0 177.247 1.794 10 0 ADAERN CC(=O)[C@@H](C)c1[nH][nH]c(=O)c1C 107284349 573473522 /nfs/dbraw/zinc/47/35/22/573473522.db2.gz MADLYTNKWMDQMR-SCSAIBSYSA-N 0 0 168.196 1.116 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](O)C1=COCCC1 689959906 573473524 /nfs/dbraw/zinc/47/35/24/573473524.db2.gz WVTUWPMGBUYZFE-OPRDCNLKSA-N 0 0 184.235 1.077 10 0 ADAERN COC(=O)c1cccc2c1CC(=O)C2 238412500 573473543 /nfs/dbraw/zinc/47/35/43/573473543.db2.gz ZHJIEHJCJKUUPT-UHFFFAOYSA-N 0 0 190.198 1.141 10 0 ADAERN CCOC(=O)CNc1cncc(C)c1 308594463 573473549 /nfs/dbraw/zinc/47/35/49/573473549.db2.gz LVYLEJMRISCDTH-UHFFFAOYSA-N 0 0 194.234 1.365 10 0 ADAERN c1ncc(CNc2nccs2)cn1 83341780 573473552 /nfs/dbraw/zinc/47/35/52/573473552.db2.gz JEORDKISIBDGBZ-UHFFFAOYSA-N 0 0 192.247 1.545 10 0 ADAERN CC(C)C[C@H](O)COC(C)C 86519796 573473563 /nfs/dbraw/zinc/47/35/63/573473563.db2.gz GNPQUHZFLMKYQL-VIFPVBQESA-N 0 0 160.257 1.818 10 0 ADAERN CONCc1[nH]nc2sccc12 75067831 573473580 /nfs/dbraw/zinc/47/35/80/573473580.db2.gz GWSOBMKHBXGUOJ-UHFFFAOYSA-N 0 0 183.236 1.275 10 0 ADAERN CC/C=C/C(=O)O[C@H]1CCCOC1 308391129 573473588 /nfs/dbraw/zinc/47/35/88/573473588.db2.gz ZNSNOOYOTCFRSX-SWTNXBIASA-N 0 0 184.235 1.675 10 0 ADAERN COC[C@@]1(O)CC[C@H](C)C1 86520336 573473626 /nfs/dbraw/zinc/47/36/26/573473626.db2.gz POXDSZOMUWNJMY-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN CCOC(=O)CNCc1ccoc1C 308594151 573473629 /nfs/dbraw/zinc/47/36/29/573473629.db2.gz LQQCSQVMMBBISK-UHFFFAOYSA-N 0 0 197.234 1.241 10 0 ADAERN COc1cc(C[C@H](C)O)c(O)cc1C 238411957 573473642 /nfs/dbraw/zinc/47/36/42/573473642.db2.gz MEOIDQOWHAOITR-QMMMGPOBSA-N 0 0 196.246 1.633 10 0 ADAERN C[C@@H]1CC(=O)N[C@@H]2CCC[C@H]12 238412161 573473649 /nfs/dbraw/zinc/47/36/49/573473649.db2.gz UCNVOINPMLZMOV-BWZBUEFSSA-N 0 0 153.225 1.311 10 0 ADAERN CC[C@@H]1CCC[C@](O)(COC)C1 86520225 573473667 /nfs/dbraw/zinc/47/36/67/573473667.db2.gz GEUJZQYDJBXBIU-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN COc1cccc(/C(=C\F)CO)c1 142239382 573473670 /nfs/dbraw/zinc/47/36/70/573473670.db2.gz BFMCYFPEASAISA-TWGQIWQCSA-N 0 0 182.194 1.998 10 0 ADAERN CC(C)N(CCO)c1ccc(C=O)o1 50544300 573473674 /nfs/dbraw/zinc/47/36/74/573473674.db2.gz LOFMCUMRPGASQZ-UHFFFAOYSA-N 0 0 197.234 1.299 10 0 ADAERN CCOC[C@H](O)CCSC 86519874 573473686 /nfs/dbraw/zinc/47/36/86/573473686.db2.gz LKMWLMDQGUHGIC-SSDOTTSWSA-N 0 0 164.270 1.137 10 0 ADAERN CC(C)(O)[C@H]1Cc2ccccc2N1 83388805 573473710 /nfs/dbraw/zinc/47/37/10/573473710.db2.gz WVZRABNYOXMCOE-SNVBAGLBSA-N 0 0 177.247 1.794 10 0 ADAERN CCCSCC(=O)COC 86521759 573473721 /nfs/dbraw/zinc/47/37/21/573473721.db2.gz 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/nfs/dbraw/zinc/47/37/81/573473781.db2.gz DDROWSLBDHKKCP-VIFPVBQESA-N 0 0 160.257 1.556 10 0 ADAERN CCOCC(=O)CSCC 86521757 573473783 /nfs/dbraw/zinc/47/37/83/573473783.db2.gz VAMSKSVJXASNTL-UHFFFAOYSA-N 0 0 162.254 1.345 10 0 ADAERN CCC[C@H](C)[C@H](O)COC 86519943 573473794 /nfs/dbraw/zinc/47/37/94/573473794.db2.gz CBIPFNJWAGVAMK-JGVFFNPUSA-N 0 0 146.230 1.430 10 0 ADAERN COc1ccc(C(=O)CN)c(C)c1 75067739 573473827 /nfs/dbraw/zinc/47/38/27/573473827.db2.gz NCFJAWMACWBQGV-UHFFFAOYSA-N 0 0 179.219 1.145 10 0 ADAERN CCc1oc(N)nc1-c1cccnc1 258667545 573473840 /nfs/dbraw/zinc/47/38/40/573473840.db2.gz VAVGJAJCJYWRSV-UHFFFAOYSA-N 0 0 189.218 1.881 10 0 ADAERN CCCc1cn2c(n1)[C@H](CO)CCC2 258667385 573473855 /nfs/dbraw/zinc/47/38/55/573473855.db2.gz XIVHRTXBEMPVGW-VIFPVBQESA-N 0 0 194.278 1.705 10 0 ADAERN CCOc1cnc(C=O)cc1OC 257820818 573473860 /nfs/dbraw/zinc/47/38/60/573473860.db2.gz FRLMMVTZKHWJSJ-UHFFFAOYSA-N 0 0 181.191 1.301 10 0 ADAERN CC1(C)C[C@H]1c1nnc(CN)o1 83339857 573473871 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86521563 573474243 /nfs/dbraw/zinc/47/42/43/573474243.db2.gz GMAYCRSMRMUSHR-UHFFFAOYSA-N 0 0 190.242 1.934 10 0 ADAERN COc1ccc(CNO)cc1C 75067613 573474270 /nfs/dbraw/zinc/47/42/70/573474270.db2.gz IZNMRHBWTWEIRL-UHFFFAOYSA-N 0 0 167.208 1.482 10 0 ADAERN CCC[NH+]1CC([C@H](C)C(=O)[O-])C1 130123425 573474271 /nfs/dbraw/zinc/47/42/71/573474271.db2.gz UFJBETHCHSRLJX-ZETCQYMHSA-N 0 0 171.240 1.049 10 0 ADAERN CCC(CC)C(=O)OCC(=O)OC 308391988 573474277 /nfs/dbraw/zinc/47/42/77/573474277.db2.gz BKQXRANCRRJJKX-UHFFFAOYSA-N 0 0 188.223 1.139 10 0 ADAERN COCC(=O)[C@@H]1Cc2ccccc21 86521731 573474293 /nfs/dbraw/zinc/47/42/93/573474293.db2.gz UTTPXXCGFGOANQ-SNVBAGLBSA-N 0 0 176.215 1.542 10 0 ADAERN CC(=O)S[C@@H]1CCO[C@H]1C 238412598 573474296 /nfs/dbraw/zinc/47/42/96/573474296.db2.gz HZJHVQDTGJRROR-CAHLUQPWSA-N 0 0 160.238 1.444 10 0 ADAERN NOCCc1cc2c(cc1F)CCC2 258045146 573474319 /nfs/dbraw/zinc/47/43/19/573474319.db2.gz KBRYZBOZLKEWOF-UHFFFAOYSA-N 0 0 195.237 1.747 10 0 ADAERN 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168.236 1.350 10 0 ADAERN COn1ccc(=O)c2ccccc21 238412129 573474787 /nfs/dbraw/zinc/47/47/87/573474787.db2.gz QKCKRWUYZIGMET-UHFFFAOYSA-N 0 0 175.187 1.060 10 0 ADAERN CCOC[C@@]1(O)CCC[C@@H]1C 86520678 573474793 /nfs/dbraw/zinc/47/47/93/573474793.db2.gz PCUNBGXYXPNOIR-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CC1(C)C[C@@H]1c1nnc(CN)o1 83339856 573474795 /nfs/dbraw/zinc/47/47/95/573474795.db2.gz XZFKVJPYBIHCAT-RXMQYKEDSA-N 0 0 167.212 1.042 10 0 ADAERN COCC(=O)c1ncccc1C 86521456 573474801 /nfs/dbraw/zinc/47/48/01/573474801.db2.gz YTFURMWHCPPNRC-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN COC[C@H](O)c1ccc2c(c1)CCO2 86519694 573474807 /nfs/dbraw/zinc/47/48/07/573474807.db2.gz CUVRNDKRLOKVBM-JTQLQIEISA-N 0 0 194.230 1.301 10 0 ADAERN COC[C@]1(O)CCO[C@H](C(C)C)C1 86520129 573474830 /nfs/dbraw/zinc/47/48/30/573474830.db2.gz RDRKRXWHIFTRKU-UWVGGRQHSA-N 0 0 188.267 1.199 10 0 ADAERN COCC(=O)c1cccc(C)n1 86521611 573474838 /nfs/dbraw/zinc/47/48/38/573474838.db2.gz DBVMQRMHMUSQEQ-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN CCOC(=O)Cc1ccc(N(C)C)o1 259462840 573474842 /nfs/dbraw/zinc/47/48/42/573474842.db2.gz AIKOMASCGNZASY-UHFFFAOYSA-N 0 0 197.234 1.451 10 0 ADAERN COC[C@]1(O)CCC[C@@H]1C 86520700 573474850 /nfs/dbraw/zinc/47/48/50/573474850.db2.gz QDCOWTHUQVRYAE-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN COC(=O)c1cccc(NCCF)n1 308594641 573474853 /nfs/dbraw/zinc/47/48/53/573474853.db2.gz LXFWPOAATNYJLC-UHFFFAOYSA-N 0 0 198.197 1.250 10 0 ADAERN COC[C@@H](O)c1cccc(C)n1 86522870 573474879 /nfs/dbraw/zinc/47/48/79/573474879.db2.gz BCCWEQZENQHYFN-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN COC(=O)Cc1ccc(F)cc1OC 145027364 573474886 /nfs/dbraw/zinc/47/48/86/573474886.db2.gz ZTPUBQUAEKODHV-UHFFFAOYSA-N 0 0 198.193 1.550 10 0 ADAERN CCC[C@@H](C)[C@@H](O)COC 86519944 573474887 /nfs/dbraw/zinc/47/48/87/573474887.db2.gz CBIPFNJWAGVAMK-SFYZADRCSA-N 0 0 146.230 1.430 10 0 ADAERN Oc1cccc2c1NCC1(CC1)O2 258398860 573474891 /nfs/dbraw/zinc/47/48/91/573474891.db2.gz BXCKFEIOXVOBPT-UHFFFAOYSA-N 0 0 177.203 1.729 10 0 ADAERN CCOCC(=O)[C@H]1C[C@@H]1C 86522095 573474895 /nfs/dbraw/zinc/47/48/95/573474895.db2.gz NCFBWFNRQBWNCO-BQBZGAKWSA-N 0 0 142.198 1.248 10 0 ADAERN CC[C@H](Cc1cnn(C)c1)[C@@H](C)O 50543682 573474896 /nfs/dbraw/zinc/47/48/96/573474896.db2.gz OITUFJZTBHHHOV-PSASIEDQSA-N 0 0 182.267 1.370 10 0 ADAERN C[C@@H]1CO[C@@H]2C=C(CO)CC[C@@H]12 238411741 573474900 /nfs/dbraw/zinc/47/49/00/573474900.db2.gz FLERBNPBXKJHBN-FKTZTGRPSA-N 0 0 168.236 1.350 10 0 ADAERN COC[C@@]1(O)CCC[C@@H](C)CC1 86520802 573474907 /nfs/dbraw/zinc/47/49/07/573474907.db2.gz LADLRPDNOIAUBM-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)(O)CC1CSC1 211819815 573474918 /nfs/dbraw/zinc/47/49/18/573474918.db2.gz XXOXTYBRVWURQE-UHFFFAOYSA-N 0 0 146.255 1.510 10 0 ADAERN CC[C@H](O)CCc1cnn(CC)c1 50543699 573474926 /nfs/dbraw/zinc/47/49/26/573474926.db2.gz QYKMEATUGLZUKH-JTQLQIEISA-N 0 0 182.267 1.607 10 0 ADAERN COCC1(O)CCC(C)(C)CC1 86520273 573474940 /nfs/dbraw/zinc/47/49/40/573474940.db2.gz MNUYJWGPAFPEPF-UHFFFAOYSA-N 0 0 172.268 1.964 10 0 ADAERN COc1cc(SC)ncn1 238411752 573474968 /nfs/dbraw/zinc/47/49/68/573474968.db2.gz OASPZLBHTLBWIF-UHFFFAOYSA-N 0 0 156.210 1.207 10 0 ADAERN COC[C@@]1(O)CCC[C@H](C)CC1 86520804 573474973 /nfs/dbraw/zinc/47/49/73/573474973.db2.gz LADLRPDNOIAUBM-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@@]1(O)CCCC(C)(C)C1 86520305 573474974 /nfs/dbraw/zinc/47/49/74/573474974.db2.gz NOJKLYDCEVGPHP-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN COC[C@@H](O)c1cc(C)ccn1 86522885 573474982 /nfs/dbraw/zinc/47/49/82/573474982.db2.gz ZTLVNASLBWYBNJ-SECBINFHSA-N 0 0 167.208 1.070 10 0 ADAERN CCn1nccc1NC[C@H](C)COC 308594103 573474986 /nfs/dbraw/zinc/47/49/86/573474986.db2.gz LOOKQVYXTBYGQC-VIFPVBQESA-N 0 0 197.282 1.597 10 0 ADAERN CC(C)OC[C@]1(O)CCC[C@@H]1C 86520692 573474992 /nfs/dbraw/zinc/47/49/92/573474992.db2.gz OMTPOBYOZTWVED-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN Cc1ccc(N(C)C(N)=O)o1 258668918 573474996 /nfs/dbraw/zinc/47/49/96/573474996.db2.gz JGCYVICSHZZNAQ-UHFFFAOYSA-N 0 0 154.169 1.103 10 0 ADAERN CC(C)OCC(=O)C1CCC1 86521724 573475004 /nfs/dbraw/zinc/47/50/04/573475004.db2.gz LHCSKNONPBTHKO-UHFFFAOYSA-N 0 0 156.225 1.781 10 0 ADAERN C[C@H](O)[C@@H]1Cc2ccccc2N1 83388892 573475005 /nfs/dbraw/zinc/47/50/05/573475005.db2.gz LXNDJODJCSVULK-XVKPBYJWSA-N 0 0 163.220 1.404 10 0 ADAERN O[C@H](C1CC1)[C@@H]1COc2ccccc21 124449017 573475007 /nfs/dbraw/zinc/47/50/07/573475007.db2.gz LSCDNVXDSSOSNY-ZYHUDNBSSA-N 0 0 190.242 1.934 10 0 ADAERN CCC[C@](O)(c1cnn(C)n1)C1CC1 308594564 573475011 /nfs/dbraw/zinc/47/50/11/573475011.db2.gz XQYALDMIAPTTSW-SNVBAGLBSA-N 0 0 195.266 1.213 10 0 ADAERN CC(C)OCC(=O)CC(F)(F)F 86521419 573475034 /nfs/dbraw/zinc/47/50/34/573475034.db2.gz CFQPAIXBOOYRAY-UHFFFAOYSA-N 0 0 184.157 1.933 10 0 ADAERN CC(C)OCC(=O)[C@@H]1C[C@H]1C 86522090 573475099 /nfs/dbraw/zinc/47/50/99/573475099.db2.gz VPUCVZXMXBNLGY-HTQZYQBOSA-N 0 0 156.225 1.637 10 0 ADAERN Cc1nnc(NCc2ncc[nH]2)s1 83342279 573475120 /nfs/dbraw/zinc/47/51/20/573475120.db2.gz FJEYQQZXCWHIAB-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN COCC(=O)c1cc(C)ccn1 86521621 573475131 /nfs/dbraw/zinc/47/51/31/573475131.db2.gz ALVXCWBNIQFXCD-UHFFFAOYSA-N 0 0 165.192 1.219 10 0 ADAERN CC(=O)CC[C@@H]1C[C@H](C)CO1 238412313 573475133 /nfs/dbraw/zinc/47/51/33/573475133.db2.gz LFUFLIDQKOJZNP-IONNQARKSA-N 0 0 156.225 1.781 10 0 ADAERN CCCC[C@H](NN)[C@H]1CCCCO1 130116293 573475141 /nfs/dbraw/zinc/47/51/41/573475141.db2.gz SSRYYQQVULKANH-VHSXEESVSA-N 0 0 186.299 1.578 10 0 ADAERN CSC/C=C/[C@H](C)O 238412648 573475155 /nfs/dbraw/zinc/47/51/55/573475155.db2.gz MUWLXLUJVXUKKD-YUDCMIJISA-N 0 0 132.228 1.286 10 0 ADAERN Cc1cnc(N)nc1SCC(C)C 642816386 573475161 /nfs/dbraw/zinc/47/51/61/573475161.db2.gz JFZWHUJISVPSAA-UHFFFAOYSA-N 0 0 196.299 1.809 10 0 ADAERN COC[C@]1(O)CC[C@H](C)C1 86520340 573475167 /nfs/dbraw/zinc/47/51/67/573475167.db2.gz POXDSZOMUWNJMY-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN CCOC(=O)/C(C)=C\c1ccncn1 308392380 573475181 /nfs/dbraw/zinc/47/51/81/573475181.db2.gz OEBQPZCXOCKSDU-VURMDHGXSA-N 0 0 192.218 1.443 10 0 ADAERN COC[C@@]1(O)CCC[C@H](C2CC2)C1 86520405 573475184 /nfs/dbraw/zinc/47/51/84/573475184.db2.gz STBDSTQJENBWGI-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN O[C@@H](C1CC1)[C@@H]1Cc2ccccc2N1 83388875 573475208 /nfs/dbraw/zinc/47/52/08/573475208.db2.gz BXTNHFDPRMFVAR-RYUDHWBXSA-N 0 0 189.258 1.794 10 0 ADAERN Clc1ccc([C@@H]2COCCN2)cn1 75087538 573475216 /nfs/dbraw/zinc/47/52/16/573475216.db2.gz SGEIWPMYUJVWOF-QMMMGPOBSA-N 0 0 198.653 1.396 10 0 ADAERN CC[C@@]1(CC(C)C)NC(=O)NC1=O 142375430 573475218 /nfs/dbraw/zinc/47/52/18/573475218.db2.gz UJCKNHRYQJKBOK-VIFPVBQESA-N 0 0 184.239 1.021 10 0 ADAERN COC[C@H](O)c1cn2ccccc2n1 86521004 573475235 /nfs/dbraw/zinc/47/52/35/573475235.db2.gz KYUFYJKKWZANLV-VIFPVBQESA-N 0 0 192.218 1.014 10 0 ADAERN Cc1cc(NCc2ccc[nH]2)no1 83340304 573475270 /nfs/dbraw/zinc/47/52/70/573475270.db2.gz SLJHSADQFGOXGD-UHFFFAOYSA-N 0 0 177.207 1.923 10 0 ADAERN CCOP(=O)(OCC)C(=O)NC 142394112 573475275 /nfs/dbraw/zinc/47/52/75/573475275.db2.gz HQZTWFWTJUALHV-UHFFFAOYSA-N 0 0 195.155 1.592 10 0 ADAERN CC[C@]1(C)C[C@](O)(COC)CCO1 86520177 573475277 /nfs/dbraw/zinc/47/52/77/573475277.db2.gz VSYXYTGSFOQTGG-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H]1CO[C@H](O)CC(C)(C)C1 238412452 573475283 /nfs/dbraw/zinc/47/52/83/573475283.db2.gz IOHPZAOIFBJQLM-YUMQZZPRSA-N 0 0 158.241 1.778 10 0 ADAERN c1coc(CNc2cncnc2)c1 83340212 573475291 /nfs/dbraw/zinc/47/52/91/573475291.db2.gz MUZJOTWQVPFAPU-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN CN(C)C[C@H](F)c1ccccc1O 107279514 573475294 /nfs/dbraw/zinc/47/52/94/573475294.db2.gz XVZXVFQHQKUGAA-VIFPVBQESA-N 0 0 183.226 1.964 10 0 ADAERN CC(C)OC[C@@]1(O)CC[C@H](C)C1 86520327 573475298 /nfs/dbraw/zinc/47/52/98/573475298.db2.gz WUVGXLYCUMAAJK-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN COc1cc(C(=O)[O-])cc([C@@H](C)[NH3+])c1 238412553 573475299 /nfs/dbraw/zinc/47/52/99/573475299.db2.gz WGTIVZJHFMMBNZ-ZCFIWIBFSA-N 0 0 195.218 1.413 10 0 ADAERN CNC(=O)NCC(C)(C)c1cc[nH]c1 258667037 573475300 /nfs/dbraw/zinc/47/53/00/573475300.db2.gz JAOOBUAWUJCZPO-UHFFFAOYSA-N 0 0 195.266 1.221 10 0 ADAERN C[C@H](O)[C@H]1Cc2ccccc2N1 83388894 573475308 /nfs/dbraw/zinc/47/53/08/573475308.db2.gz LXNDJODJCSVULK-OIBJUYFYSA-N 0 0 163.220 1.404 10 0 ADAERN CSC/C=C/[C@@H](C)O 238412632 573475321 /nfs/dbraw/zinc/47/53/21/573475321.db2.gz MUWLXLUJVXUKKD-FCJGRKLLSA-N 0 0 132.228 1.286 10 0 ADAERN CCO[C@@H]1CCC[C@@H]1CC(=O)OC 259466761 573475324 /nfs/dbraw/zinc/47/53/24/573475324.db2.gz ATHCRRJZNZJFJE-RKDXNWHRSA-N 0 0 186.251 1.755 10 0 ADAERN COC(=O)C1(c2cncn2C)CCC1 259468264 573475347 /nfs/dbraw/zinc/47/53/47/573475347.db2.gz BAKZKVRQFIEANP-UHFFFAOYSA-N 0 0 194.234 1.015 10 0 ADAERN OC[C@H](CC1COC1)c1cccs1 258667471 573475362 /nfs/dbraw/zinc/47/53/62/573475362.db2.gz UZSVCPYVOCDHSO-VIFPVBQESA-N 0 0 198.287 1.861 10 0 ADAERN COCCCC[C@H](O)c1cncnc1 308594364 573475365 /nfs/dbraw/zinc/47/53/65/573475365.db2.gz QVVNOBZJTFNWDT-JTQLQIEISA-N 0 0 196.250 1.327 10 0 ADAERN C[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1C1CCC1 235604354 573475367 /nfs/dbraw/zinc/47/53/67/573475367.db2.gz QRBBZAYZKVFQMS-IUCAKERBSA-N 0 0 197.278 1.724 10 0 ADAERN CCOC(=O)N1CC(C2CCC2)C1 308392432 573475395 /nfs/dbraw/zinc/47/53/95/573475395.db2.gz BRZOBECWTBAXBT-UHFFFAOYSA-N 0 0 183.251 1.875 10 0 ADAERN COC[C@@H](O)Cc1c(C)cccc1C 126291281 573475397 /nfs/dbraw/zinc/47/53/97/573475397.db2.gz NXGCMRQIMROWTG-NSHDSACASA-N 0 0 194.274 1.853 10 0 ADAERN CC(C)OC[C@]1(O)CCO[C@H](C)C1 86520032 573475405 /nfs/dbraw/zinc/47/54/05/573475405.db2.gz HKXFYEMEOOFSOR-ZJUUUORDSA-N 0 0 188.267 1.341 10 0 ADAERN CC[C@H]1CCCC[C@@]1(O)COC 86520265 573475410 /nfs/dbraw/zinc/47/54/10/573475410.db2.gz FOBDHFBERGLASK-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN CCOC[C@H](O)[C@@H]1C[C@@H]1C 86523471 573475429 /nfs/dbraw/zinc/47/54/29/573475429.db2.gz QDMURWSFOFMHAH-RNJXMRFFSA-N 0 0 144.214 1.040 10 0 ADAERN COn1cc(C=O)c2c(F)cccc21 238412004 573475440 /nfs/dbraw/zinc/47/54/40/573475440.db2.gz NNUJDODFVXXZHZ-UHFFFAOYSA-N 0 0 193.177 1.651 10 0 ADAERN COCC(=O)CCc1ccoc1 130124153 573475456 /nfs/dbraw/zinc/47/54/56/573475456.db2.gz VWOZYOLXCUTDOI-UHFFFAOYSA-N 0 0 168.192 1.428 10 0 ADAERN CC(=O)COCC(C)(C)F 211833881 573475460 /nfs/dbraw/zinc/47/54/60/573475460.db2.gz GRMXBKBWYLOTAM-UHFFFAOYSA-N 0 0 148.177 1.340 10 0 ADAERN COC[C@@H](O)c1cn2ccccc2n1 86521006 573475473 /nfs/dbraw/zinc/47/54/73/573475473.db2.gz KYUFYJKKWZANLV-SECBINFHSA-N 0 0 192.218 1.014 10 0 ADAERN CC(C)OC[C@]1(O)CCC[C@H]1C 86520690 573475509 /nfs/dbraw/zinc/47/55/09/573475509.db2.gz OMTPOBYOZTWVED-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@@H]1CO[C@H]2CC(=O)CC[C@@H]12 238412607 573475531 /nfs/dbraw/zinc/47/55/31/573475531.db2.gz DRLBODWPDJWTPT-YEPSODPASA-N 0 0 154.209 1.391 10 0 ADAERN COCCOC(=O)[C@@H]1CC[C@H](F)C1 308392246 573475553 /nfs/dbraw/zinc/47/55/53/573475553.db2.gz BOOFWUYIDZIYLH-SFYZADRCSA-N 0 0 190.214 1.314 10 0 ADAERN COC[C@]1(O)C[C@H](C)CC[C@@H]1C 86520556 573475560 /nfs/dbraw/zinc/47/55/60/573475560.db2.gz SUPFTKRUJLJTCZ-KXUCPTDWSA-N 0 0 172.268 1.820 10 0 ADAERN OCCCO[C@H]1C[C@@H]1c1ccccc1 308584988 573475565 /nfs/dbraw/zinc/47/55/65/573475565.db2.gz LRYHGMJFVICSNN-NEPJUHHUSA-N 0 0 192.258 1.942 10 0 ADAERN O[C@@H](C1CC1)[C@@H]1COc2ccccc21 124449421 573475566 /nfs/dbraw/zinc/47/55/66/573475566.db2.gz LSCDNVXDSSOSNY-PWSUYJOCSA-N 0 0 190.242 1.934 10 0 ADAERN CC[C@@H]1CC[C@@](O)(COC)C1 86520370 573475569 /nfs/dbraw/zinc/47/55/69/573475569.db2.gz CONYIOBQJSAKQJ-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)C1=COCCC1 689959899 573475571 /nfs/dbraw/zinc/47/55/71/573475571.db2.gz WVTUWPMGBUYZFE-IVZWLZJFSA-N 0 0 184.235 1.077 10 0 ADAERN CCCC[C@@H](CCOCCC)NN 130125629 573475573 /nfs/dbraw/zinc/47/55/73/573475573.db2.gz BWYTWMWTQRWHPR-JTQLQIEISA-N 0 0 188.315 1.825 10 0 ADAERN COC[C@@H](O)[C@@H]1CCc2ccccc21 86523417 573475592 /nfs/dbraw/zinc/47/55/92/573475592.db2.gz ZNIFWAYPLDQOMR-VXGBXAGGSA-N 0 0 192.258 1.724 10 0 ADAERN CC[C@@H]1CCC[C@@](O)(COC)C1 86520228 573475603 /nfs/dbraw/zinc/47/56/03/573475603.db2.gz GEUJZQYDJBXBIU-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)OC[C@@H](O)C1CCC1 86523019 573475608 /nfs/dbraw/zinc/47/56/08/573475608.db2.gz UDKFPOCJTSVKBP-SECBINFHSA-N 0 0 158.241 1.572 10 0 ADAERN COc1cc(C[C@H](C)O)cc(O)c1C 238411974 573475610 /nfs/dbraw/zinc/47/56/10/573475610.db2.gz ZTJIUWZGJFXXKK-ZETCQYMHSA-N 0 0 196.246 1.633 10 0 ADAERN CSc1ccc(CCCO)o1 238412695 573475616 /nfs/dbraw/zinc/47/56/16/573475616.db2.gz CXTPVVMOCJOZMR-UHFFFAOYSA-N 0 0 172.249 1.926 10 0 ADAERN C[C@@H]1CO[C@H]2C[C@@H](C)C(=O)C[C@@H]12 238412638 573475621 /nfs/dbraw/zinc/47/56/21/573475621.db2.gz JNCSNSVNEGVMNG-ODXREFDESA-N 0 0 168.236 1.637 10 0 ADAERN CO[C@@H]1C[C@H]1[C@@H](O)c1ccsn1 689959331 573475623 /nfs/dbraw/zinc/47/56/23/573475623.db2.gz VPATUHFYWLYLAK-LPBLVHEISA-N 0 0 185.248 1.211 10 0 ADAERN CC[C@H](O)/C(C)=C/C(C)=C\C(=O)OC 308594444 573475641 /nfs/dbraw/zinc/47/56/41/573475641.db2.gz QWWRNFRNQYXMPL-FNFVCICFSA-N 0 0 198.262 1.823 10 0 ADAERN CCO[C@@H](C)C(=O)COC(C)C 86521682 573475650 /nfs/dbraw/zinc/47/56/50/573475650.db2.gz KVCSHAKPAOKXKI-QMMMGPOBSA-N 0 0 174.240 1.406 10 0 ADAERN COC[C@@H](O)c1ccc2c(c1)CCO2 86519696 573475655 /nfs/dbraw/zinc/47/56/55/573475655.db2.gz CUVRNDKRLOKVBM-SNVBAGLBSA-N 0 0 194.230 1.301 10 0 ADAERN COC[C@@]1(O)CC[C@@H](C)C1 86520333 573475665 /nfs/dbraw/zinc/47/56/65/573475665.db2.gz POXDSZOMUWNJMY-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN COc1c(F)cnc(N)c1C(F)F 238412173 573475674 /nfs/dbraw/zinc/47/56/74/573475674.db2.gz RLVCVAVEPDRCHE-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN CO[C@@H](C)c1ccccc1CON 259466560 573475677 /nfs/dbraw/zinc/47/56/77/573475677.db2.gz NSZJVLDYFGRVSE-QMMMGPOBSA-N 0 0 181.235 1.784 10 0 ADAERN COC[C@H](O)[C@H]1Cc2ccccc21 86523025 573475681 /nfs/dbraw/zinc/47/56/81/573475681.db2.gz CTJWHYCIOQHHNW-QWRGUYRKSA-N 0 0 178.231 1.334 10 0 ADAERN CC(C)OCC(=O)[C@H]1C[C@@H]1C 86522088 573475687 /nfs/dbraw/zinc/47/56/87/573475687.db2.gz VPUCVZXMXBNLGY-YUMQZZPRSA-N 0 0 156.225 1.637 10 0 ADAERN CCCCNC(=S)N(C)N(C)C 238235858 573475693 /nfs/dbraw/zinc/47/56/93/573475693.db2.gz RANHPEXYUMLOFS-UHFFFAOYSA-N 0 0 189.328 1.069 10 0 ADAERN COCC(=O)[C@@H]1CC[C@H](C)C1 86521968 573475711 /nfs/dbraw/zinc/47/57/11/573475711.db2.gz RZZXYQTZSXSBKK-JGVFFNPUSA-N 0 0 156.225 1.638 10 0 ADAERN C[C@@H](C(=O)C1CCC1)[S@@](C)=O 238412177 573475712 /nfs/dbraw/zinc/47/57/12/573475712.db2.gz WEXGBUIQGCBSLJ-UPONEAKYSA-N 0 0 174.265 1.123 10 0 ADAERN COCC(=O)[C@H]1CCc2ccccc21 86522055 573475718 /nfs/dbraw/zinc/47/57/18/573475718.db2.gz GSQWYILNPBIPQC-NSHDSACASA-N 0 0 190.242 1.932 10 0 ADAERN COc1c(F)cnc(C(F)F)c1O 238411900 573475719 /nfs/dbraw/zinc/47/57/19/573475719.db2.gz FCCPUDUCJIZUCB-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN Clc1cccnc1[C@@H]1COCCN1 75087533 573475720 /nfs/dbraw/zinc/47/57/20/573475720.db2.gz DFGHAEBSYQJULR-QMMMGPOBSA-N 0 0 198.653 1.396 10 0 ADAERN C[NH+]1CCC([C@@H](F)CC(=O)[O-])CC1 107282066 573475721 /nfs/dbraw/zinc/47/57/21/573475721.db2.gz RLXLVDFJERUUCU-QMMMGPOBSA-N 0 0 189.230 1.141 10 0 ADAERN COCC(=O)[C@H]1CC[C@H](C)C1 86521964 573475726 /nfs/dbraw/zinc/47/57/26/573475726.db2.gz RZZXYQTZSXSBKK-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN Cc1cc(O)c(C2(O)CC2)cc1F 258045227 573475729 /nfs/dbraw/zinc/47/57/29/573475729.db2.gz KDXXWVXQGJJPPD-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN COc1ncc(CO)cc1C(F)F 238411891 573475732 /nfs/dbraw/zinc/47/57/32/573475732.db2.gz VTGCIVJTEQJSNR-UHFFFAOYSA-N 0 0 189.161 1.520 10 0 ADAERN CCn1c(C(=O)OC)cnc1C1CC1 259467342 573475735 /nfs/dbraw/zinc/47/57/35/573475735.db2.gz YJWUZWIORKQHJB-UHFFFAOYSA-N 0 0 194.234 1.567 10 0 ADAERN COc1cc(Cl)c(C(C)=O)cn1 238412611 573475739 /nfs/dbraw/zinc/47/57/39/573475739.db2.gz QEPHPZZUAHSWQA-UHFFFAOYSA-N 0 0 185.610 1.946 10 0 ADAERN CO[C@@]1(C(C)(C)C)C=CC(=O)N1 238412568 573475749 /nfs/dbraw/zinc/47/57/49/573475749.db2.gz IOHGWBDNTLWDHM-SECBINFHSA-N 0 0 169.224 1.061 10 0 ADAERN C[C@@H](C(=O)C1(C)CC1)[S@](C)=O 238412128 573475756 /nfs/dbraw/zinc/47/57/56/573475756.db2.gz GGFPXDIIWRCYOW-KGFZYKRKSA-N 0 0 174.265 1.123 10 0 ADAERN Cc1nn(C)c2c1[C@H](C)CC(=O)N2 238412762 573475767 /nfs/dbraw/zinc/47/57/67/573475767.db2.gz VYRZTSNKEJSQKM-RXMQYKEDSA-N 0 0 179.223 1.174 10 0 ADAERN COC[C@H](O)[C@@H]1Cc2ccccc21 86523021 573475782 /nfs/dbraw/zinc/47/57/82/573475782.db2.gz CTJWHYCIOQHHNW-MNOVXSKESA-N 0 0 178.231 1.334 10 0 ADAERN CCOC[C@]1(O)CCOC(C)(C)C1 86520141 573475786 /nfs/dbraw/zinc/47/57/86/573475786.db2.gz VYLPXODHJUDZAZ-JTQLQIEISA-N 0 0 188.267 1.343 10 0 ADAERN CCCCO[P@H](=O)OCCO 238236860 573475793 /nfs/dbraw/zinc/47/57/93/573475793.db2.gz DEOGYOXZFYBDGD-UHFFFAOYSA-N 0 0 182.156 1.202 10 0 ADAERN COc1c(F)c[nH]c(=O)c1C(F)F 238412193 573475802 /nfs/dbraw/zinc/47/58/02/573475802.db2.gz MXWTYDYZNLIQDV-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CC[C@H](O)/C(C)=C/C(C)=C/C(=O)OC 308594449 573475821 /nfs/dbraw/zinc/47/58/21/573475821.db2.gz 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573475844 /nfs/dbraw/zinc/47/58/44/573475844.db2.gz QVVNOBZJTFNWDT-SNVBAGLBSA-N 0 0 196.250 1.327 10 0 ADAERN CCC[C@@H](c1nc(C)no1)N(C)C 308392298 573475850 /nfs/dbraw/zinc/47/58/50/573475850.db2.gz BQCQIDXDKSRBDK-QMMMGPOBSA-N 0 0 183.255 1.781 10 0 ADAERN Cc1coc(C=O)c1CN(C)C 74336572 573475860 /nfs/dbraw/zinc/47/58/60/573475860.db2.gz ADQLMKSEGMFERT-UHFFFAOYSA-N 0 0 167.208 1.462 10 0 ADAERN COC[C@H](O)[C@H]1CC=CCC1 86519853 573475862 /nfs/dbraw/zinc/47/58/62/573475862.db2.gz YFQKIUBROSBMII-IUCAKERBSA-N 0 0 156.225 1.350 10 0 ADAERN COC[C@H](O)CC(C)(C)C 86519968 573475897 /nfs/dbraw/zinc/47/58/97/573475897.db2.gz XYPLRZQKUKBTAN-SSDOTTSWSA-N 0 0 146.230 1.430 10 0 ADAERN Cc1cnn(CC[C@@H]2CCCC2=O)c1 86530684 573479205 /nfs/dbraw/zinc/47/92/05/573479205.db2.gz LTSQNGZHYZSZLR-JTQLQIEISA-N 0 0 192.262 1.951 10 0 ADAERN CC(C)OC[C@H]1CC[C@@H](O)C1 86529280 573479216 /nfs/dbraw/zinc/47/92/16/573479216.db2.gz FGUHVHIBNUGNJS-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN CNc1ncc2c(n1)[C@@H](C)CC2 83390153 573479218 /nfs/dbraw/zinc/47/92/18/573479218.db2.gz JJVTVZAGZLRHRT-LURJTMIESA-N 0 0 163.224 1.568 10 0 ADAERN C[C@@H]1OC[C@@]2(C)CC(=O)[C@@H]12 238414167 573479231 /nfs/dbraw/zinc/47/92/31/573479231.db2.gz IIEYWNXCWYPOBP-UIISKDMLSA-N 0 0 140.182 1.000 10 0 ADAERN CCCOC[C@H](C)C[C@@H](C)O 86529373 573479234 /nfs/dbraw/zinc/47/92/34/573479234.db2.gz FPCMABDVVIDHDF-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CC(=O)[C@]1(C)CCC[C@@H](C)C1=O 238413835 573479266 /nfs/dbraw/zinc/47/92/66/573479266.db2.gz WCDVFMNTMQTMJG-XCBNKYQSSA-N 0 0 168.236 1.971 10 0 ADAERN CCCOCC[C@@H](C)CO 86529361 573479280 /nfs/dbraw/zinc/47/92/80/573479280.db2.gz OPFIACKIHDSYJC-MRVPVSSYSA-N 0 0 146.230 1.432 10 0 ADAERN COC(=O)c1ccn2nccc2c1C 238414574 573479283 /nfs/dbraw/zinc/47/92/83/573479283.db2.gz KHDHGMZRULCMQJ-UHFFFAOYSA-N 0 0 190.202 1.429 10 0 ADAERN O=C1[C@H]2C[C@H]2CN1C1CCCC1 258045829 573479299 /nfs/dbraw/zinc/47/92/99/573479299.db2.gz REGBPLKSORPNDX-CBAPKCEASA-N 0 0 165.236 1.407 10 0 ADAERN 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/nfs/dbraw/zinc/48/53/21/573485321.db2.gz FBCCXIFXCPSSKX-ATZCPNFKSA-N 0 0 197.278 1.439 10 0 ADAERN Cc1ccn(CC[C@@H]2CCC[C@H]2O)n1 86547733 573485328 /nfs/dbraw/zinc/48/53/28/573485328.db2.gz UADXDHAQTXMDMK-WDEREUQCSA-N 0 0 194.278 1.743 10 0 ADAERN C[C@H]1CC[C@H]([N@H+](C)C(C)(C)C(=O)[O-])C1 83408863 573485332 /nfs/dbraw/zinc/48/53/32/573485332.db2.gz XJIUJKNFLZGXBN-IUCAKERBSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)(C)OC(=O)C=C1CCCN1 223254424 573485341 /nfs/dbraw/zinc/48/53/41/573485341.db2.gz JRYCALASOIGEOL-BQYQJAHWSA-N 0 0 183.251 1.595 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)C1=COCCC1 124464813 573485342 /nfs/dbraw/zinc/48/53/42/573485342.db2.gz HBHBUCDWONEVQS-FKTZTGRPSA-N 0 0 168.236 1.698 10 0 ADAERN C[C@H](CC1CC1)[C@@H](C)[C@@H]([NH3+])CC(=O)[O-] 142779415 573485343 /nfs/dbraw/zinc/48/53/43/573485343.db2.gz YRRMHFOGGKAUTC-MRTMQBJTSA-N 0 0 199.294 1.861 10 0 ADAERN CC(C)(O)Cc1ccc2c(c1)NCC2 257819510 573485348 /nfs/dbraw/zinc/48/53/48/573485348.db2.gz FLRHJOGSKHMDIY-UHFFFAOYSA-N 0 0 191.274 1.968 10 0 ADAERN Cc1ccc([C@]2(C)N[C@H](C)CO2)o1 258678208 573485362 /nfs/dbraw/zinc/48/53/62/573485362.db2.gz TUDWDNKUECYERL-GMSGAONNSA-N 0 0 181.235 1.769 10 0 ADAERN CO[C@@H]1C[C@H]1[C@H](NN)C1CCCC1 689961683 573485371 /nfs/dbraw/zinc/48/53/71/573485371.db2.gz ODLYHRBRIBRRSN-OPRDCNLKSA-N 0 0 184.283 1.043 10 0 ADAERN O=C([O-])[C@H]1CCC[N@@H+]1C1CCC1 83403857 573485377 /nfs/dbraw/zinc/48/53/77/573485377.db2.gz GFUBTRNLTPZOQZ-MRVPVSSYSA-N 0 0 169.224 1.088 10 0 ADAERN Cc1ccnn1CC[C@@H]1CCCC1=O 86531473 573485383 /nfs/dbraw/zinc/48/53/83/573485383.db2.gz MQHNROPEIVXWAM-JTQLQIEISA-N 0 0 192.262 1.951 10 0 ADAERN CC(C)CCCCN1C[C@@H](O)CC1=O 147794687 573485399 /nfs/dbraw/zinc/48/53/99/573485399.db2.gz SZBSWXRSQZLAMM-JTQLQIEISA-N 0 0 199.294 1.406 10 0 ADAERN COCCCC[C@H](O)c1ccnn1C 308599849 573485405 /nfs/dbraw/zinc/48/54/05/573485405.db2.gz UIFFTLYQURILJL-JTQLQIEISA-N 0 0 198.266 1.270 10 0 ADAERN CN(C(=O)S)c1ccncc1 258675518 573485408 /nfs/dbraw/zinc/48/54/08/573485408.db2.gz KCRGUFIUBHJAMQ-UHFFFAOYSA-N 0 0 168.221 1.568 10 0 ADAERN COC(=O)c1c(C)ncc(C)c1C 259469827 573485411 /nfs/dbraw/zinc/48/54/11/573485411.db2.gz BFXKIXMAMRZTHW-UHFFFAOYSA-N 0 0 179.219 1.793 10 0 ADAERN C[N@H+](C1CCC1)C(C)(C)C(=O)[O-] 83408926 573485421 /nfs/dbraw/zinc/48/54/21/573485421.db2.gz GCZFCPXSWJJEPA-UHFFFAOYSA-N 0 0 171.240 1.334 10 0 ADAERN C[C@@H]([NH2+][C@H](C(=O)[O-])C1CC1)C1CC1 83407613 573485436 /nfs/dbraw/zinc/48/54/36/573485436.db2.gz RWVQYSJHBRAWKV-MUWHJKNJSA-N 0 0 183.251 1.238 10 0 ADAERN Cc1ccccc1[C@@](C)(CO)CON 257818981 573485438 /nfs/dbraw/zinc/48/54/38/573485438.db2.gz FHLXVHJGJKLQRD-NSHDSACASA-N 0 0 195.262 1.135 10 0 ADAERN COC(=O)c1onc(C(C)C)c1N 259471733 573485446 /nfs/dbraw/zinc/48/54/46/573485446.db2.gz QEPTVITUKBVPCN-UHFFFAOYSA-N 0 0 184.195 1.167 10 0 ADAERN CCOC(=O)[C@@H](C)c1cocn1 259471008 573485457 /nfs/dbraw/zinc/48/54/57/573485457.db2.gz BLBNEYABZZKMPP-LURJTMIESA-N 0 0 169.180 1.341 10 0 ADAERN C[C@@H]1OC[C@]2(C)CCCC(=O)[C@@H]12 238414662 573485472 /nfs/dbraw/zinc/48/54/72/573485472.db2.gz ZEIDDZUZGBOOLO-SFGNSQDASA-N 0 0 168.236 1.781 10 0 ADAERN CC[C@H](C)N[C@]1(C(=O)OC)CC[C@H]1C 308599697 573485494 /nfs/dbraw/zinc/48/54/94/573485494.db2.gz NXARZVGXWUHDOZ-WCABBAIRSA-N 0 0 199.294 1.716 10 0 ADAERN Cc1c([C@@H](O)C(C)(C)C)cnn1C 86552543 573485498 /nfs/dbraw/zinc/48/54/98/573485498.db2.gz IDJNLMPCVWSRCF-SECBINFHSA-N 0 0 182.267 1.808 10 0 ADAERN CO[C@]1(C)C[Si](C)(C)C[C@H]1O 238414649 573485517 /nfs/dbraw/zinc/48/55/17/573485517.db2.gz VQBCOPIOFGHVMJ-HTQZYQBOSA-N 0 0 174.316 1.474 10 0 ADAERN COC(=O)CCc1cc(C2CC2)n[nH]1 259469778 573485547 /nfs/dbraw/zinc/48/55/47/573485547.db2.gz BEELGVBTBSAFDO-UHFFFAOYSA-N 0 0 194.234 1.393 10 0 ADAERN C[C@H]1CC[C@@H]([N@H+](C)CC(=O)[O-])C1 83403544 573485563 /nfs/dbraw/zinc/48/55/63/573485563.db2.gz BTPONTHSVOOROS-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN OCCc1nc2ccc(F)cc2o1 107292161 573485582 /nfs/dbraw/zinc/48/55/82/573485582.db2.gz VENISHXSYCRGIG-UHFFFAOYSA-N 0 0 181.166 1.502 10 0 ADAERN CNC(=O)N(C)CCCC(C)C 258675504 573485597 /nfs/dbraw/zinc/48/55/97/573485597.db2.gz KCDVLUXUPOTQHS-UHFFFAOYSA-N 0 0 172.272 1.694 10 0 ADAERN NN[C@@H](CCCCF)c1ccncc1 308599692 573485616 /nfs/dbraw/zinc/48/56/16/573485616.db2.gz NWQSNXGNOMMTRU-JTQLQIEISA-N 0 0 197.257 1.726 10 0 ADAERN Cc1c([C@@H](O)C2CCCC2)cnn1C 86552585 573485621 /nfs/dbraw/zinc/48/56/21/573485621.db2.gz WRWXLJMOGLCDCM-NSHDSACASA-N 0 0 194.278 1.952 10 0 ADAERN CCOC(=O)C[C@@H](COC)C(C)C 259470954 573485627 /nfs/dbraw/zinc/48/56/27/573485627.db2.gz BKMCXJWKJQOFMD-VIFPVBQESA-N 0 0 188.267 1.858 10 0 ADAERN CC(=O)N[C@H](C)Cc1nc(C)cs1 238415557 573485643 /nfs/dbraw/zinc/48/56/43/573485643.db2.gz WWGRYEKJGKVROO-ZCFIWIBFSA-N 0 0 198.291 1.519 10 0 ADAERN CCN(C)C(=S)NCc1ccon1 308390983 573485655 /nfs/dbraw/zinc/48/56/55/573485655.db2.gz ZLPGHYBVXSXIAH-UHFFFAOYSA-N 0 0 199.279 1.001 10 0 ADAERN Cc1c([C@H](O)CC(C)C)cnn1C 86552546 573485659 /nfs/dbraw/zinc/48/56/59/573485659.db2.gz BYVLAYOAAASFGK-SNVBAGLBSA-N 0 0 182.267 1.808 10 0 ADAERN CCCC(CCC)[N@H+](C)CC(=O)[O-] 83403572 573485660 /nfs/dbraw/zinc/48/56/60/573485660.db2.gz QJJFYEJMHUQSLX-UHFFFAOYSA-N 0 0 187.283 1.972 10 0 ADAERN COc1ccccc1[C@@H](CO)CCO 308599871 573485662 /nfs/dbraw/zinc/48/56/62/573485662.db2.gz UJDBAAPUDWRUIY-SECBINFHSA-N 0 0 196.246 1.154 10 0 ADAERN COc1ccccc1[C@H](CO)CCO 308599872 573485672 /nfs/dbraw/zinc/48/56/72/573485672.db2.gz UJDBAAPUDWRUIY-VIFPVBQESA-N 0 0 196.246 1.154 10 0 ADAERN Cc1cc([C@H]([NH3+])[C@@H](C)O)c(F)cc1N 238415309 573485699 /nfs/dbraw/zinc/48/56/99/573485699.db2.gz ZEISEVGXEHJPFD-LHLIQPBNSA-N 0 0 198.241 1.097 10 0 ADAERN CCCCCC(=O)[C@@H](CC)C(N)=O 238250569 573485702 /nfs/dbraw/zinc/48/57/02/573485702.db2.gz XQQACTMMHWGNMY-MRVPVSSYSA-N 0 0 185.267 1.647 10 0 ADAERN CC(C)c1cn2c(n1)C[C@H](CO)CC2 258678358 573485713 /nfs/dbraw/zinc/48/57/13/573485713.db2.gz XRADPZMRCAARFF-SECBINFHSA-N 0 0 194.278 1.561 10 0 ADAERN C[C@H]1CCC[C@H]1[N@H+](C)CC(=O)[O-] 83403715 573485719 /nfs/dbraw/zinc/48/57/19/573485719.db2.gz XBAVFPYDDVTDPP-JGVFFNPUSA-N 0 0 171.240 1.191 10 0 ADAERN CC(C)=C1/C(=C/C#N)C=C[C@@H]1O 39103771 573485728 /nfs/dbraw/zinc/48/57/28/573485728.db2.gz FEVIWRWYYIQTHA-QRJSTWQJSA-N 0 0 161.204 1.703 10 0 ADAERN C[C@@H]1OC[C@]2(C)CC(=O)[C@@H]12 238414644 573485751 /nfs/dbraw/zinc/48/57/51/573485751.db2.gz IIEYWNXCWYPOBP-ARDNSNSESA-N 0 0 140.182 1.000 10 0 ADAERN C[C@@H]1CCC[C@H]1[N@@H+]1CCC[C@@H]1C(=O)[O-] 83404005 573485760 /nfs/dbraw/zinc/48/57/60/573485760.db2.gz CWYYDJMOXYRFSY-OPRDCNLKSA-N 0 0 197.278 1.724 10 0 ADAERN Cc1nccn1CC[C@H]1CCC[C@@H]1O 86547606 573485771 /nfs/dbraw/zinc/48/57/71/573485771.db2.gz ZQUXPJYYGPTQSS-MNOVXSKESA-N 0 0 194.278 1.743 10 0 ADAERN COc1cc(Cl)c(C[NH3+])cc1F 238415089 573485779 /nfs/dbraw/zinc/48/57/79/573485779.db2.gz LYQNOKOZPDOHCT-UHFFFAOYSA-N 0 0 189.617 1.946 10 0 ADAERN CC(=O)N[C@H]1CCC[C@H](CCO)C1 215222175 573485793 /nfs/dbraw/zinc/48/57/93/573485793.db2.gz VOHJOGOJHOPMKW-ZJUUUORDSA-N 0 0 185.267 1.064 10 0 ADAERN Cc1ccn(CC[C@@H]2CCCC2=O)n1 86531468 573485794 /nfs/dbraw/zinc/48/57/94/573485794.db2.gz BKHHRKUEYDXZAC-JTQLQIEISA-N 0 0 192.262 1.951 10 0 ADAERN CO[C@]1(C)SCCS[C@@H]1O 238415594 573485803 /nfs/dbraw/zinc/48/58/03/573485803.db2.gz TYSGUKOMBAZLBY-NTSWFWBYSA-N 0 0 180.294 1.147 10 0 ADAERN OCCc1nc2cccc(F)c2o1 107292157 573485808 /nfs/dbraw/zinc/48/58/08/573485808.db2.gz ICYZYRRYXJIZGF-UHFFFAOYSA-N 0 0 181.166 1.502 10 0 ADAERN C[C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@@H]1C(=O)[O-] 83404001 573485843 /nfs/dbraw/zinc/48/58/43/573485843.db2.gz CWYYDJMOXYRFSY-KXUCPTDWSA-N 0 0 197.278 1.724 10 0 ADAERN Cc1c([C@@H](O)C(C)C)cnn1C 86552563 573485849 /nfs/dbraw/zinc/48/58/49/573485849.db2.gz CFQMLXHKQSCLLZ-VIFPVBQESA-N 0 0 168.240 1.418 10 0 ADAERN CC(C)(C)C[N@@H+]1CCCC[C@@H]1C(=O)[O-] 83404289 573485854 /nfs/dbraw/zinc/48/58/54/573485854.db2.gz MQGBIRKUZUVTRB-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN C=C=C[C@H](O)C[C@@H](O)c1ccccc1 308599794 573485869 /nfs/dbraw/zinc/48/58/69/573485869.db2.gz UFKDTZNHFFUWGX-NWDGAFQWSA-N 0 0 190.242 1.812 10 0 ADAERN CCNCc1nc(CC2CCC2)no1 308599797 573485875 /nfs/dbraw/zinc/48/58/75/573485875.db2.gz UFLQIFSBMVKPIH-UHFFFAOYSA-N 0 0 195.266 1.522 10 0 ADAERN C[NH2+][C@@H](c1cc[nH]c1)[C@H](C)CC(=O)[O-] 259106919 573485881 /nfs/dbraw/zinc/48/58/81/573485881.db2.gz APXJTWSFPFQCLV-GMSGAONNSA-N 0 0 196.250 1.386 10 0 ADAERN C[C@@H](O)CCCOc1cccc(O)c1 308599367 573485888 /nfs/dbraw/zinc/48/58/88/573485888.db2.gz BCIAKMPMLOQHJF-SECBINFHSA-N 0 0 196.246 1.932 10 0 ADAERN C=C=C[C@H](O)C[C@H](O)c1ccccc1 308599795 573485894 /nfs/dbraw/zinc/48/58/94/573485894.db2.gz UFKDTZNHFFUWGX-RYUDHWBXSA-N 0 0 190.242 1.812 10 0 ADAERN C[N@@H+]1CCC[C@H]([C@@]2(C)C[C@@H]2C(=O)[O-])C1 259106722 573485897 /nfs/dbraw/zinc/48/58/97/573485897.db2.gz FBCCXIFXCPSSKX-IQJOONFLSA-N 0 0 197.278 1.439 10 0 ADAERN COC(=O)CC1(c2cnn(C)c2)CC1 259470961 573485898 /nfs/dbraw/zinc/48/58/98/573485898.db2.gz BKMWBLNRYHZUJS-UHFFFAOYSA-N 0 0 194.234 1.015 10 0 ADAERN COCNc1ccc2c(c1)OCCO2 258674222 573485937 /nfs/dbraw/zinc/48/59/37/573485937.db2.gz OQKYCJPSRIZROX-UHFFFAOYSA-N 0 0 195.218 1.474 10 0 ADAERN CC(C)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C(=O)[O-])C1 83409787 573485939 /nfs/dbraw/zinc/48/59/39/573485939.db2.gz VLAVQNGUZQARDG-UTLUCORTSA-N 0 0 199.294 1.683 10 0 ADAERN CCOC(=N)c1cnn(C)c1C 86552759 573485966 /nfs/dbraw/zinc/48/59/66/573485966.db2.gz POTVVBIXSOPWAY-UHFFFAOYSA-N 0 0 167.212 1.090 10 0 ADAERN C[C@@H]1CCC[C@@]12CC(=O)N2 83397395 573485968 /nfs/dbraw/zinc/48/59/68/573485968.db2.gz SZGJCYGKUCOPNQ-HTRCEHHLSA-N 0 0 139.198 1.065 10 0 ADAERN CC(F)(F)CNC1CCC1 211841445 573485972 /nfs/dbraw/zinc/48/59/72/573485972.db2.gz CJBFTGDTCQSENS-UHFFFAOYSA-N 0 0 149.184 1.784 10 0 ADAERN Cc1nccn1CC[C@@H]1CCC[C@H]1O 86547607 573485984 /nfs/dbraw/zinc/48/59/84/573485984.db2.gz ZQUXPJYYGPTQSS-WDEREUQCSA-N 0 0 194.278 1.743 10 0 ADAERN CC[C@H]1CCN[C@](C)(C(=O)OC)C1 258678204 573486017 /nfs/dbraw/zinc/48/60/17/573486017.db2.gz YKFAZVRTHHQZTF-WPRPVWTQSA-N 0 0 185.267 1.328 10 0 ADAERN CCOCCNc1cc(C)c(C)nn1 308599701 573486019 /nfs/dbraw/zinc/48/60/19/573486019.db2.gz NXHBYTHEIQOFJP-UHFFFAOYSA-N 0 0 195.266 1.542 10 0 ADAERN CC[C@@H](C)[C@@H](O)c1cnn(C)c1C 86552718 573486037 /nfs/dbraw/zinc/48/60/37/573486037.db2.gz FKVSKWTTWPIXDC-GMSGAONNSA-N 0 0 182.267 1.808 10 0 ADAERN C[C@@H]1CCCC12CC(=O)NC(=O)C2 83396856 573486043 /nfs/dbraw/zinc/48/60/43/573486043.db2.gz QCDIQKKNYXBUCT-SSDOTTSWSA-N 0 0 181.235 1.229 10 0 ADAERN CCCCCC(=O)N[C@@H](O)C(C)C 238249322 573486070 /nfs/dbraw/zinc/48/60/70/573486070.db2.gz URCRFAGJATYPJB-JTQLQIEISA-N 0 0 187.283 1.657 10 0 ADAERN C[C@@H]1C[N@H+](CC(C)(C)C)C[C@@H]1C(=O)[O-] 83409995 573486072 /nfs/dbraw/zinc/48/60/72/573486072.db2.gz XIUZPYSTASKABM-BDAKNGLRSA-N 0 0 199.294 1.685 10 0 ADAERN CC(=O)N[C@H]1CC[C@H](CCCO)C1 215221975 573486081 /nfs/dbraw/zinc/48/60/81/573486081.db2.gz JABCZSRQHDTUOR-UWVGGRQHSA-N 0 0 185.267 1.064 10 0 ADAERN CC[C@H](C)N[C@]1(C(=O)OC)CC[C@@H]1C 308599695 573486085 /nfs/dbraw/zinc/48/60/85/573486085.db2.gz NXARZVGXWUHDOZ-ATZCPNFKSA-N 0 0 199.294 1.716 10 0 ADAERN CC(=O)N[C@H]1CC[C@@H](CCCO)C1 215222072 573486094 /nfs/dbraw/zinc/48/60/94/573486094.db2.gz JABCZSRQHDTUOR-ZJUUUORDSA-N 0 0 185.267 1.064 10 0 ADAERN CC[C@@H](C1CC1)[N@H+](CC)CCC(=O)[O-] 83406395 573486097 /nfs/dbraw/zinc/48/60/97/573486097.db2.gz QKIBUSJRRAQOFG-JTQLQIEISA-N 0 0 199.294 1.972 10 0 ADAERN COC(=O)C[C@@H]1CCc2cnoc2C1 259471161 573486112 /nfs/dbraw/zinc/48/61/12/573486112.db2.gz BORRHXMMMHFSDU-SSDOTTSWSA-N 0 0 195.218 1.343 10 0 ADAERN CSCc1nc2ccccn2n1 258674724 573486114 /nfs/dbraw/zinc/48/61/14/573486114.db2.gz YCZHNSXTMFDZLM-UHFFFAOYSA-N 0 0 179.248 1.592 10 0 ADAERN C=C=C[C@@H](O)C[C@H](O)c1ccccc1 308599793 573486115 /nfs/dbraw/zinc/48/61/15/573486115.db2.gz UFKDTZNHFFUWGX-NEPJUHHUSA-N 0 0 190.242 1.812 10 0 ADAERN C[N@H+](CC(=O)[O-])[C@H]1CCCC(C)(C)C1 83403661 573486116 /nfs/dbraw/zinc/48/61/16/573486116.db2.gz NCFKRIISIXBJDW-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)N[C@@H]1CCC[C@@H](CCO)C1 215222223 573486121 /nfs/dbraw/zinc/48/61/21/573486121.db2.gz VOHJOGOJHOPMKW-VHSXEESVSA-N 0 0 185.267 1.064 10 0 ADAERN CN(C(=O)CCO)C1CCCCC1 258674006 573486143 /nfs/dbraw/zinc/48/61/43/573486143.db2.gz AGCYYMXYJNMBTQ-UHFFFAOYSA-N 0 0 185.267 1.160 10 0 ADAERN O=C1CCc2onc(C(F)(F)F)c21 107296804 573486146 /nfs/dbraw/zinc/48/61/46/573486146.db2.gz WDEVTQVWZCTIED-UHFFFAOYSA-N 0 0 191.108 1.822 10 0 ADAERN CC[C@H](C1CC1)[N@@H+]1CCC[C@@H]1C(=O)[O-] 83403750 573486149 /nfs/dbraw/zinc/48/61/49/573486149.db2.gz QDPLRJWRUGFZKO-NXEZZACHSA-N 0 0 197.278 1.724 10 0 ADAERN CC(C)c1cnccc1CCO 259106776 573486154 /nfs/dbraw/zinc/48/61/54/573486154.db2.gz FCDGZWRWDBOSEJ-UHFFFAOYSA-N 0 0 165.236 1.740 10 0 ADAERN CC(=O)N[C@@H]1CC[C@H](CCCO)C1 215221932 573486155 /nfs/dbraw/zinc/48/61/55/573486155.db2.gz JABCZSRQHDTUOR-VHSXEESVSA-N 0 0 185.267 1.064 10 0 ADAERN C[C@H]1CC[C@@H](C)C[C@H]1[N@H+](C)CC(=O)[O-] 83403655 573486167 /nfs/dbraw/zinc/48/61/67/573486167.db2.gz PBQGZGIZPTUOHX-KXUCPTDWSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1c([C@@H](O)CC(C)C)cnn1C 86552547 573486171 /nfs/dbraw/zinc/48/61/71/573486171.db2.gz BYVLAYOAAASFGK-JTQLQIEISA-N 0 0 182.267 1.808 10 0 ADAERN CC(=O)N[C@@H]1CCC[C@H](CCO)C1 215222133 573486183 /nfs/dbraw/zinc/48/61/83/573486183.db2.gz VOHJOGOJHOPMKW-NXEZZACHSA-N 0 0 185.267 1.064 10 0 ADAERN CC(C)c1cn2c(n1)C[C@@H](CO)CC2 258678360 573486199 /nfs/dbraw/zinc/48/61/99/573486199.db2.gz XRADPZMRCAARFF-VIFPVBQESA-N 0 0 194.278 1.561 10 0 ADAERN CC[C@H](C)N[C@@]1(C(=O)OC)CC[C@H]1C 308599698 573486205 /nfs/dbraw/zinc/48/62/05/573486205.db2.gz NXARZVGXWUHDOZ-YWVKMMECSA-N 0 0 199.294 1.716 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](NN)C1CCCC1 689961680 573486222 /nfs/dbraw/zinc/48/62/22/573486222.db2.gz ODLYHRBRIBRRSN-IVZWLZJFSA-N 0 0 184.283 1.043 10 0 ADAERN CNC1(c2ccccc2OC)COC1 258497642 573486224 /nfs/dbraw/zinc/48/62/24/573486224.db2.gz DMHFPQYGMYYNBT-UHFFFAOYSA-N 0 0 193.246 1.140 10 0 ADAERN c1n[nH]cc1OC[C@H]1CCCCO1 258402450 573486244 /nfs/dbraw/zinc/48/62/44/573486244.db2.gz 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178.235 1.044 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1[C@@]1(C)C[C@@H]1C 714704398 573509235 /nfs/dbraw/zinc/50/92/35/573509235.db2.gz CMDVOWUMUZBINP-IRHRITDKSA-N 0 0 181.279 1.803 10 0 ADAERN C[C@@H]1CC(=O)OCC(C)(C)C1 6030660 573509242 /nfs/dbraw/zinc/50/92/42/573509242.db2.gz OSKVFHONCZMKCM-SSDOTTSWSA-N 0 0 156.225 1.986 10 0 ADAERN CC[C@]1(C)N[C@H](C)N([C@@H]2C[C@@H]2C)C1=O 124533857 573509253 /nfs/dbraw/zinc/50/92/53/573509253.db2.gz FWOAIZOPVSLXPH-CKEKPRIKSA-N 0 0 196.294 1.341 10 0 ADAERN CO[C@H](C)c1nc(CO)cs1 86591999 573509274 /nfs/dbraw/zinc/50/92/74/573509274.db2.gz DQBUOUHZDKBEHS-RXMQYKEDSA-N 0 0 173.237 1.343 10 0 ADAERN CCCC(=O)NC[C@@H](C)OCC 126329626 573509286 /nfs/dbraw/zinc/50/92/86/573509286.db2.gz XXAMHXSOCRJNKD-MRVPVSSYSA-N 0 0 173.256 1.328 10 0 ADAERN CCC(CC)N[C@@H]1C[C@@H](C)OC1=O 308396155 573509288 /nfs/dbraw/zinc/50/92/88/573509288.db2.gz DGSVTNJJFHGVIC-VXNVDRBHSA-N 0 0 185.267 1.469 10 0 ADAERN COC(=O)Cc1nc2sccc2o1 259482463 573509290 /nfs/dbraw/zinc/50/92/90/573509290.db2.gz AOHTUHVFRNOGMF-UHFFFAOYSA-N 0 0 197.215 1.605 10 0 ADAERN C[C@H](O)C1=C(Cl)CCC[C@H]1O 238421422 573509299 /nfs/dbraw/zinc/50/92/99/573509299.db2.gz WGEVWOFZOVQOQK-CAHLUQPWSA-N 0 0 176.643 1.405 10 0 ADAERN COCOC/C=C\C/C=C/CO 215242451 573509303 /nfs/dbraw/zinc/50/93/03/573509303.db2.gz ULAACNGTVICCRT-UZNMPDEFSA-N 0 0 172.224 1.102 10 0 ADAERN C[C@@H]1NC(=O)[C@H](C)[C@@H]1[C@]1(C)C[C@H]1C 714704435 573509311 /nfs/dbraw/zinc/50/93/11/573509311.db2.gz CMDVOWUMUZBINP-LSQHKTNHSA-N 0 0 181.279 1.803 10 0 ADAERN CC(C)N1C[C@H](c2ccc[nH]2)NC1=O 259483074 573509315 /nfs/dbraw/zinc/50/93/15/573509315.db2.gz OTSATGFDPDHTNI-SECBINFHSA-N 0 0 193.250 1.489 10 0 ADAERN CN(CCC(=O)C1CC1)CC(F)F 308400047 573509336 /nfs/dbraw/zinc/50/93/36/573509336.db2.gz GOQHOTWOTBTSAX-UHFFFAOYSA-N 0 0 191.221 1.553 10 0 ADAERN CO[C@@]12C=C[C@@H](C[C@@H]1C(N)=O)[C@@H](C)C2 238421429 573509365 /nfs/dbraw/zinc/50/93/65/573509365.db2.gz PZVJAXZLVLYQPK-WYOJIJJFSA-N 0 0 195.262 1.089 10 0 ADAERN O[C@@H](c1ccsc1)c1ncccn1 83450340 573509384 /nfs/dbraw/zinc/50/93/84/573509384.db2.gz SJDKYWJOYQXPCT-QMMMGPOBSA-N 0 0 192.243 1.620 10 0 ADAERN CNc1c(Cl)cnn1C 107324534 573509409 /nfs/dbraw/zinc/50/94/09/573509409.db2.gz JIAQRMODODYDEJ-UHFFFAOYSA-N 0 0 145.593 1.115 10 0 ADAERN CNc1cc(Cl)ccc1CO 224218187 573509426 /nfs/dbraw/zinc/50/94/26/573509426.db2.gz DTLXWIWDGVQVEG-UHFFFAOYSA-N 0 0 171.627 1.874 10 0 ADAERN OCC1(c2ccccc2O)CC(F)C1 257822642 573519084 /nfs/dbraw/zinc/51/90/84/573519084.db2.gz GKBLGIMRWVSHCP-UHFFFAOYSA-N 0 0 196.221 1.754 10 0 ADAERN CC(=O)c1nc(Cl)ns1 107327781 573519089 /nfs/dbraw/zinc/51/90/89/573519089.db2.gz OTPWSFVPOFBHFK-UHFFFAOYSA-N 0 0 162.601 1.394 10 0 ADAERN CO[C@H](C)C[N@@H+]1CCC(=O)[C@@H](C)[C@@H]1C 224238884 573519094 /nfs/dbraw/zinc/51/90/94/573519094.db2.gz TVCSEUNPIAIVJA-UTLUCORTSA-N 0 0 199.294 1.321 10 0 ADAERN CC(C)Cc1cc(C=O)ncn1 107328221 573519835 /nfs/dbraw/zinc/51/98/35/573519835.db2.gz OYUTTZHBHSHQQL-UHFFFAOYSA-N 0 0 164.208 1.488 10 0 ADAERN Cc1cccc([C@@]2(C)CNC(=O)O2)c1 257823154 573519103 /nfs/dbraw/zinc/51/91/03/573519103.db2.gz GNHQRUQWHRCXMB-LLVKDONJSA-N 0 0 191.230 1.950 10 0 ADAERN COc1cncc(CC(C)=O)c1 107328672 573519123 /nfs/dbraw/zinc/51/91/23/573519123.db2.gz AIDJQSQOTVINKI-UHFFFAOYSA-N 0 0 165.192 1.222 10 0 ADAERN OC/C=C\[C@H](O)CCC[C@@H]1C=CCO1 308605085 573519142 /nfs/dbraw/zinc/51/91/42/573519142.db2.gz WFVSTCFMAVCSMU-WPEWVOEUSA-N 0 0 198.262 1.021 10 0 ADAERN CCc1nccn1[C@@H]1CCC(=O)C1 86618873 573519179 /nfs/dbraw/zinc/51/91/79/573519179.db2.gz URKDRSXUNAZKFD-MRVPVSSYSA-N 0 0 178.235 1.740 10 0 ADAERN C[C@]12C=C[C@@]1(C)C(=O)CC2 238423932 573519231 /nfs/dbraw/zinc/51/92/31/573519231.db2.gz IVMMCGLVJXQSOA-IUCAKERBSA-N 0 0 136.194 1.932 10 0 ADAERN Cn1ncc(C2([NH3+])CC2)c1C1CCC1 257822590 573519250 /nfs/dbraw/zinc/51/92/50/573519250.db2.gz GIXSGUMLFRFGMH-UHFFFAOYSA-N 0 0 191.278 1.635 10 0 ADAERN CC(C)CO[C@H]1CCC(=O)C1 86619316 573519282 /nfs/dbraw/zinc/51/92/82/573519282.db2.gz HLWJRRGHZHSUPO-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN CC(=O)c1oc(N)nc1Cl 107327119 573519283 /nfs/dbraw/zinc/51/92/83/573519283.db2.gz SAHHXASOODWBKC-UHFFFAOYSA-N 0 0 160.560 1.113 10 0 ADAERN CC(=O)[C@@]1(C)O[C@@H](C)C1(C)C 238423874 573519289 /nfs/dbraw/zinc/51/92/89/573519289.db2.gz DNLAGXVAUGBIKJ-IONNQARKSA-N 0 0 156.225 1.779 10 0 ADAERN C[C@H](c1ccc(C(=O)[O-])[nH]1)[NH+](C)C 257822726 573519329 /nfs/dbraw/zinc/51/93/29/573519329.db2.gz GGWZKFMMKTWUMM-ZCFIWIBFSA-N 0 0 182.223 1.336 10 0 ADAERN OC1(CNc2ccccn2)CCCC1 83466736 573519339 /nfs/dbraw/zinc/51/93/39/573519339.db2.gz UIEXFQMDDQACHS-UHFFFAOYSA-N 0 0 192.262 1.799 10 0 ADAERN C[C@H](O)[C@@]1(O)CCC[C@@H](C)C1 238424296 573519345 /nfs/dbraw/zinc/51/93/45/573519345.db2.gz GROIBAKLZXDEBE-HRDYMLBCSA-N 0 0 158.241 1.308 10 0 ADAERN O=C1CC[C@H](OC[C@H]2CCCCO2)C1 86619330 573519364 /nfs/dbraw/zinc/51/93/64/573519364.db2.gz ONROFYHVWABJBX-WDEREUQCSA-N 0 0 198.262 1.694 10 0 ADAERN C[C@@]12CCC=C[C@H]1C(=O)C2 238424781 573519371 /nfs/dbraw/zinc/51/93/71/573519371.db2.gz CYYFCXWSKGZCHC-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN Nc1cc(CO)c2cc[nH]c2c1 107327564 573519399 /nfs/dbraw/zinc/51/93/99/573519399.db2.gz YMRXAXXFMIGPKW-UHFFFAOYSA-N 0 0 162.192 1.242 10 0 ADAERN COc1c(N)cc(C(F)F)nc1F 238424179 573519414 /nfs/dbraw/zinc/51/94/14/573519414.db2.gz APMPMTAWAHWULY-UHFFFAOYSA-N 0 0 192.140 1.749 10 0 ADAERN O=Cc1cn(C2CCCC2)cn1 107328396 573519434 /nfs/dbraw/zinc/51/94/34/573519434.db2.gz WVLAJZQQNGSVEN-UHFFFAOYSA-N 0 0 164.208 1.811 10 0 ADAERN COc1cccc(NCC(C)(C)O)n1 83466520 573519435 /nfs/dbraw/zinc/51/94/35/573519435.db2.gz HZKGBMXJNFKOHG-UHFFFAOYSA-N 0 0 196.250 1.273 10 0 ADAERN Cc1cccnc1NCC(C)(C)O 83466541 573519444 /nfs/dbraw/zinc/51/94/44/573519444.db2.gz WMNSILIMCPSGBI-UHFFFAOYSA-N 0 0 180.251 1.573 10 0 ADAERN CC(=O)c1cc(C2CC2)ncn1 107327560 573519469 /nfs/dbraw/zinc/51/94/69/573519469.db2.gz DGLIMNHWCIEABL-UHFFFAOYSA-N 0 0 162.192 1.557 10 0 ADAERN COc1cccc2c1NC(=O)N[C@@H]2C 257823065 573519470 /nfs/dbraw/zinc/51/94/70/573519470.db2.gz GKTHFPRETLUORY-ZCFIWIBFSA-N 0 0 192.218 1.891 10 0 ADAERN CC(=O)C[C@@]1(C)O[C@H]1C 238424225 573519488 /nfs/dbraw/zinc/51/94/88/573519488.db2.gz BXBBTNLFAHKVPU-NKWVEPMBSA-N 0 0 128.171 1.143 10 0 ADAERN OC/C=C/[C@H](O)CCC[C@@H]1C=CCO1 308605087 573519498 /nfs/dbraw/zinc/51/94/98/573519498.db2.gz WFVSTCFMAVCSMU-ZDDBVIRUSA-N 0 0 198.262 1.021 10 0 ADAERN COc1c(C(F)F)ncc(O)c1N 238423629 573519511 /nfs/dbraw/zinc/51/95/11/573519511.db2.gz GBCWKUFBHLZUPY-UHFFFAOYSA-N 0 0 190.149 1.316 10 0 ADAERN Cc1ccc(NCC(C)(C)O)nc1 83466557 573519533 /nfs/dbraw/zinc/51/95/33/573519533.db2.gz AFSQDVGIYYPYKP-UHFFFAOYSA-N 0 0 180.251 1.573 10 0 ADAERN O=Cc1ncc2cccc(F)n12 107328048 573519552 /nfs/dbraw/zinc/51/95/52/573519552.db2.gz PFXSRTIEVMYHMW-UHFFFAOYSA-N 0 0 164.139 1.286 10 0 ADAERN C=CC(=O)NCC1(O)CCC(C)CC1 83469272 573519562 /nfs/dbraw/zinc/51/95/62/573519562.db2.gz PCGHVHSAGDJHBG-UHFFFAOYSA-N 0 0 197.278 1.230 10 0 ADAERN CNCC(F)(F)C1CCSCC1 257823107 573519582 /nfs/dbraw/zinc/51/95/82/573519582.db2.gz GLYUIRIOKDLBGD-UHFFFAOYSA-N 0 0 195.278 1.984 10 0 ADAERN COC1(c2ccccc2CNO)CC1 259483749 573519588 /nfs/dbraw/zinc/51/95/88/573519588.db2.gz PGZBAAUJPKCDRG-UHFFFAOYSA-N 0 0 193.246 1.801 10 0 ADAERN O=Cc1cn(C[C@@H]2CCCS2)cn1 715860594 573519608 /nfs/dbraw/zinc/51/96/08/573519608.db2.gz FCKGGKJGHOWSSP-VIFPVBQESA-N 0 0 196.275 1.591 10 0 ADAERN OC1(CNc2nncs2)CCCC1 83466734 573519614 /nfs/dbraw/zinc/51/96/14/573519614.db2.gz GWAFBYUBCBSIPP-UHFFFAOYSA-N 0 0 199.279 1.255 10 0 ADAERN CCn1oc(=O)c2ccc(C=O)cc21 257822613 573519620 /nfs/dbraw/zinc/51/96/20/573519620.db2.gz GJIDPJWWIRMSDV-UHFFFAOYSA-N 0 0 191.186 1.427 10 0 ADAERN OC[C@@H]1CCCn2cc(C3CC3)nc21 258737843 573519642 /nfs/dbraw/zinc/51/96/42/573519642.db2.gz ZHJGGYZQGXLRJM-VIFPVBQESA-N 0 0 192.262 1.630 10 0 ADAERN COC(=O)C1(NCCC2CC2)CCC1 308604016 573519651 /nfs/dbraw/zinc/51/96/51/573519651.db2.gz PCCKDMOMQVLGOL-UHFFFAOYSA-N 0 0 197.278 1.472 10 0 ADAERN CCO[C@@H](CC(=O)N1CC1)C(C)C 308400696 573519652 /nfs/dbraw/zinc/51/96/52/573519652.db2.gz GYYKSTXYHBRDPK-VIFPVBQESA-N 0 0 185.267 1.280 10 0 ADAERN Cn1nc(Cl)nc1C1CC1 107326833 573519658 /nfs/dbraw/zinc/51/96/58/573519658.db2.gz HNFYWGMCXSEGPS-UHFFFAOYSA-N 0 0 157.604 1.346 10 0 ADAERN C[C@@H]1CC(CO)(CO)CC1(C)C 238423777 573519672 /nfs/dbraw/zinc/51/96/72/573519672.db2.gz MHLHNAFCUKXSFJ-MRVPVSSYSA-N 0 0 172.268 1.414 10 0 ADAERN [NH3+][C@@H]1CCc2oc(C3CC3)nc21 107328384 573519682 /nfs/dbraw/zinc/51/96/82/573519682.db2.gz GLRMQDWBQKPIQK-ZCFIWIBFSA-N 0 0 164.208 1.498 10 0 ADAERN CC[C@@H]1OC(=O)[C@@H](C)C(=O)[C@@H]1C 198226331 573519696 /nfs/dbraw/zinc/51/96/96/573519696.db2.gz WENGDWLJTQGDNF-VQVTYTSYSA-N 0 0 170.208 1.163 10 0 ADAERN CCCC[N@H+](C)CC[C@@H](C)C(=O)[O-] 258738361 573519727 /nfs/dbraw/zinc/51/97/27/573519727.db2.gz VWBHXWGQIXEJDA-SECBINFHSA-N 0 0 187.283 1.829 10 0 ADAERN Cc1cccc([C@]2(C)CNC(=O)O2)c1 257823155 573519735 /nfs/dbraw/zinc/51/97/35/573519735.db2.gz GNHQRUQWHRCXMB-NSHDSACASA-N 0 0 191.230 1.950 10 0 ADAERN COc1c(N)cc(C)c(N)c1OC 238424359 573519756 /nfs/dbraw/zinc/51/97/56/573519756.db2.gz OVOSMEYBUCNNRH-UHFFFAOYSA-N 0 0 182.223 1.177 10 0 ADAERN CCOc1nsc(Cl)n1 107328524 573519762 /nfs/dbraw/zinc/51/97/62/573519762.db2.gz NCAZDPQXMVXWJD-UHFFFAOYSA-N 0 0 164.617 1.590 10 0 ADAERN CNc1cccn2cnc(C)c12 107327425 573519770 /nfs/dbraw/zinc/51/97/70/573519770.db2.gz UGTJXJJXVBCOIU-UHFFFAOYSA-N 0 0 161.208 1.684 10 0 ADAERN CCC1CCC(O)(CNC=O)CC1 83470538 573519801 /nfs/dbraw/zinc/51/98/01/573519801.db2.gz KAIVLXKFBCBIGE-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN C[C@@H]1C[C@@H](CCCO)CCC1=O 238424435 573519814 /nfs/dbraw/zinc/51/98/14/573519814.db2.gz VQHWIJOUZHAWGS-BDAKNGLRSA-N 0 0 170.252 1.764 10 0 ADAERN CCCC[C@@]1(C(N)=O)CCCCC1=O 206015282 573531974 /nfs/dbraw/zinc/53/19/74/573531974.db2.gz WUBRAELEDRZQBK-LLVKDONJSA-N 0 0 197.278 1.791 10 0 ADAERN COc1nncc(C2CCC2)c1N 258057999 573531983 /nfs/dbraw/zinc/53/19/83/573531983.db2.gz VBMZXAFDLGQIEF-UHFFFAOYSA-N 0 0 179.223 1.335 10 0 ADAERN C[C@H]([NH3+])c1coc(Cc2ccco2)n1 258051285 573531994 /nfs/dbraw/zinc/53/19/94/573531994.db2.gz KXYWEGMQMMTTTQ-ZETCQYMHSA-N 0 0 192.218 1.878 10 0 ADAERN C[C@H]([NH3+])Cc1cc(F)cc(C(=O)[O-])c1 238429343 573531995 /nfs/dbraw/zinc/53/19/95/573531995.db2.gz UHRHVMUWVGLJTD-LURJTMIESA-N 0 0 197.209 1.414 10 0 ADAERN COc1ccccc1[C@H](CCO)ON 257828101 573532004 /nfs/dbraw/zinc/53/20/04/573532004.db2.gz IHAVLSHRDATOSR-JTQLQIEISA-N 0 0 197.234 1.009 10 0 ADAERN CC(C)(C)[C@H](C[NH2+]C1CCC1)C(=O)[O-] 258058271 573532008 /nfs/dbraw/zinc/53/20/08/573532008.db2.gz HYJGMKFPCMNDFX-SECBINFHSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H]1C=C(c2ccco2)[C@@H](O)O1 238429812 573532017 /nfs/dbraw/zinc/53/20/17/573532017.db2.gz OSZFVLFACJOSOK-RCOVLWMOSA-N 0 0 166.176 1.400 10 0 ADAERN CONCc1cccc(OC2CC2)c1 258059284 573532022 /nfs/dbraw/zinc/53/20/22/573532022.db2.gz LGVUKLRVALRCLY-UHFFFAOYSA-N 0 0 193.246 1.879 10 0 ADAERN C[C@H](O)[C@]1(C)CC12CC2 238429845 573532025 /nfs/dbraw/zinc/53/20/25/573532025.db2.gz UMZZHYYSOAUMFD-BQBZGAKWSA-N 0 0 126.199 1.557 10 0 ADAERN Nc1cc([C@H]2CCCO2)nnc1Cl 259491249 573532028 /nfs/dbraw/zinc/53/20/28/573532028.db2.gz PWQUXEYJSZUASG-SSDOTTSWSA-N 0 0 199.641 1.564 10 0 ADAERN COc1cccc([C@H]2CC(=O)NO2)c1 257828473 573532029 /nfs/dbraw/zinc/53/20/29/573532029.db2.gz IIXGJWMGNKZQRC-SECBINFHSA-N 0 0 193.202 1.188 10 0 ADAERN O=C1NC[C@H](C2CCSCC2)O1 257828601 573532046 /nfs/dbraw/zinc/53/20/46/573532046.db2.gz ILKPRXBPBOLJHR-SSDOTTSWSA-N 0 0 187.264 1.238 10 0 ADAERN CC(C)Cn1nc(C=O)c2c1COC2 257828468 573532052 /nfs/dbraw/zinc/53/20/52/573532052.db2.gz IIUFTIDBHSMJFZ-UHFFFAOYSA-N 0 0 194.234 1.382 10 0 ADAERN Cc1ccc([C@@H]([NH3+])[C@H](C)CC(=O)[O-])o1 259493084 573532061 /nfs/dbraw/zinc/53/20/61/573532061.db2.gz TVXWELRVNZWVFX-LDWIPMOCSA-N 0 0 197.234 1.699 10 0 ADAERN C[C@@H](O)CCC1=NCC(C)(C)O1 238429787 573532075 /nfs/dbraw/zinc/53/20/75/573532075.db2.gz QOANBZGMIZUDFJ-SSDOTTSWSA-N 0 0 171.240 1.355 10 0 ADAERN CN1C[C@H](C2CCC2)N(C)C1=O 259488948 573532082 /nfs/dbraw/zinc/53/20/82/573532082.db2.gz PEOGYZOSVLVBKW-MRVPVSSYSA-N 0 0 168.240 1.152 10 0 ADAERN OCC/C=C\c1ccc(O)cc1 258059063 573532087 /nfs/dbraw/zinc/53/20/87/573532087.db2.gz DRGGJXADCVVSIA-IWQZZHSRSA-N 0 0 164.204 1.788 10 0 ADAERN C[C@@H]1C[C@@H](O)CC(C)(C)N1N=O 238430191 573532091 /nfs/dbraw/zinc/53/20/91/573532091.db2.gz AYMMJXBZBMPSAY-RNFRBKRXSA-N 0 0 172.228 1.292 10 0 ADAERN Nc1nc(CSC2CCCC2)no1 83500917 573532116 /nfs/dbraw/zinc/53/21/16/573532116.db2.gz SZILHVQASLRPAZ-UHFFFAOYSA-N 0 0 199.279 1.828 10 0 ADAERN C[NH2+][C@H]1CCc2sc(C)nc21 107331371 573532120 /nfs/dbraw/zinc/53/21/20/573532120.db2.gz IYLKCXSJPXCXQQ-LURJTMIESA-N 0 0 168.265 1.658 10 0 ADAERN Cc1c(CNO)ccc2c1OCCO2 258059330 573532125 /nfs/dbraw/zinc/53/21/25/573532125.db2.gz LHVVTSHIUOFICD-UHFFFAOYSA-N 0 0 195.218 1.245 10 0 ADAERN C[C@](O)(CCCO)c1ccccc1F 259489883 573532126 /nfs/dbraw/zinc/53/21/26/573532126.db2.gz YVIBFOGVHVWKFU-NSHDSACASA-N 0 0 198.237 1.806 10 0 ADAERN COc1cc(O)cc(C)c1CCCO 258059111 573532138 /nfs/dbraw/zinc/53/21/38/573532138.db2.gz LDLVEVIZFNNZEK-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN C[C@@H]1O[C@@H]2CCCC[C@@H]2CNC1=O 238429211 573532162 /nfs/dbraw/zinc/53/21/62/573532162.db2.gz OGQRZMHXBOBCDJ-DJLDLDEBSA-N 0 0 183.251 1.080 10 0 ADAERN C[NH2+][C@H](C[C@@H](C)C(=O)[O-])C1CCCC1 259490760 573532166 /nfs/dbraw/zinc/53/21/66/573532166.db2.gz RHJYMLOIKPITFG-PSASIEDQSA-N 0 0 199.294 1.875 10 0 ADAERN CC[C@@](O)(COC)Cc1ccco1 130419413 573532168 /nfs/dbraw/zinc/53/21/68/573532168.db2.gz JMMHBEQXHHTNHR-JTQLQIEISA-N 0 0 184.235 1.610 10 0 ADAERN O[C@]1(Cc2ccsc2)CCOC1 83504251 573532179 /nfs/dbraw/zinc/53/21/79/573532179.db2.gz UPHKTSZDIHTNRG-VIFPVBQESA-N 0 0 184.260 1.442 10 0 ADAERN COc1cc(C)cc(CCON)c1 258052282 573532213 /nfs/dbraw/zinc/53/22/13/573532213.db2.gz RLHQWJVHJJQVPH-UHFFFAOYSA-N 0 0 181.235 1.436 10 0 ADAERN CC[C@H](C)C(=O)[C@H]1CCC(=O)C1 86622526 573532225 /nfs/dbraw/zinc/53/22/25/573532225.db2.gz FMFLTORPMVXVNB-YUMQZZPRSA-N 0 0 168.236 1.971 10 0 ADAERN COc1cccc2c1C[C@H](CCO)C2 257828910 573532247 /nfs/dbraw/zinc/53/22/47/573532247.db2.gz IMFWQBNBACELGT-SECBINFHSA-N 0 0 192.258 1.792 10 0 ADAERN C[C@H]1C=C[C@@H](O)CS1 238430103 573532249 /nfs/dbraw/zinc/53/22/49/573532249.db2.gz BCQGANIZMJCQJG-NTSWFWBYSA-N 0 0 130.212 1.039 10 0 ADAERN CC(=O)[C@]1(O)CCCC[C@@H]1C 238430158 573532257 /nfs/dbraw/zinc/53/22/57/573532257.db2.gz IZOFZQPFYRXMQB-CBAPKCEASA-N 0 0 156.225 1.517 10 0 ADAERN NOCC(F)(F)[C@@H]1CCCSC1 258052569 573532266 /nfs/dbraw/zinc/53/22/66/573532266.db2.gz KDFBYQXGSZZNKE-ZCFIWIBFSA-N 0 0 197.250 1.655 10 0 ADAERN C[C@@H](O)CC=C1CC1 238429001 573532268 /nfs/dbraw/zinc/53/22/68/573532268.db2.gz WKMNVPLQQKTWCJ-ZCFIWIBFSA-N 0 0 112.172 1.478 10 0 ADAERN OC1(c2cccc3c2COCC3)CC1 258059258 573532279 /nfs/dbraw/zinc/53/22/79/573532279.db2.gz LGBOJRLIWYGDJD-UHFFFAOYSA-N 0 0 190.242 1.741 10 0 ADAERN C[C@H](O)[C@]1(C)CCCCCC1=O 238430067 573532296 /nfs/dbraw/zinc/53/22/96/573532296.db2.gz JDAYXQGPGZVKFH-WPRPVWTQSA-N 0 0 170.252 1.907 10 0 ADAERN COc1cc2c(cc1CON)COC2 258059290 573532301 /nfs/dbraw/zinc/53/23/01/573532301.db2.gz LHAUZNHVYYXLNO-UHFFFAOYSA-N 0 0 195.218 1.116 10 0 ADAERN CSC[C@@H](C)CNC(C)=O 78570574 573532309 /nfs/dbraw/zinc/53/23/09/573532309.db2.gz NKHLHEWKGOONOT-LURJTMIESA-N 0 0 161.270 1.122 10 0 ADAERN O=C1CC[C@H](C(=O)[C@H]2CCCOC2)C1 86622535 573532328 /nfs/dbraw/zinc/53/23/28/573532328.db2.gz NYAXWYVTUSBSOR-IUCAKERBSA-N 0 0 196.246 1.351 10 0 ADAERN C[C@H]1CCCC[C@@]12C(=O)CCNC2=O 238430455 573532353 /nfs/dbraw/zinc/53/23/53/573532353.db2.gz IABMIFKTEZINBW-KWQFWETISA-N 0 0 195.262 1.272 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H](C)SC[C@@H]1C 238429454 573532362 /nfs/dbraw/zinc/53/23/62/573532362.db2.gz KOONNPKTAJWRJB-LKEWCRSYSA-N 0 0 187.308 1.653 10 0 ADAERN OC[C@@]1(c2ccncc2)CCCC[NH2+]1 258051982 573532385 /nfs/dbraw/zinc/53/23/85/573532385.db2.gz IJHKXLYWCACVDU-LLVKDONJSA-N 0 0 192.262 1.043 10 0 ADAERN C[C@@H]1O[C@@H]2CCCC[C@@H]2C1=O 238429198 573532415 /nfs/dbraw/zinc/53/24/15/573532415.db2.gz ZJDPSNLCILWZOK-BIIVOSGPSA-N 0 0 154.209 1.533 10 0 ADAERN CCc1nc2c(C=O)cccn2n1 107334182 573532437 /nfs/dbraw/zinc/53/24/37/573532437.db2.gz FOGDHVJARAKYRQ-UHFFFAOYSA-N 0 0 175.191 1.104 10 0 ADAERN O[C@@H]1CCC[C@H]1C[C@H]1CCC[C@H]1O 256256827 573532440 /nfs/dbraw/zinc/53/24/40/573532440.db2.gz FBJYXWLNZJBQJH-LMLFDSFASA-N 0 0 184.279 1.699 10 0 ADAERN C=C=C(C)[C@H](C)CO 238429779 573532444 /nfs/dbraw/zinc/53/24/44/573532444.db2.gz AQASOVGDVFTASU-SSDOTTSWSA-N 0 0 112.172 1.346 10 0 ADAERN CC(C)(O)CC1CCOCC1 83503247 573532458 /nfs/dbraw/zinc/53/24/58/573532458.db2.gz RWVWDOUMXZLRRM-UHFFFAOYSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cc(C(N)=[NH2+])ncc1Cl 107332198 573532460 /nfs/dbraw/zinc/53/24/60/573532460.db2.gz MGCOESYESQSKSZ-UHFFFAOYSA-N 0 0 169.615 1.327 10 0 ADAERN CC[C@](O)(COC)Cc1ccco1 130419219 573532461 /nfs/dbraw/zinc/53/24/61/573532461.db2.gz JMMHBEQXHHTNHR-SNVBAGLBSA-N 0 0 184.235 1.610 10 0 ADAERN Cc1cc(CC[NH3+])cc(O)c1F 258058188 573532490 /nfs/dbraw/zinc/53/24/90/573532490.db2.gz SGIZWWXJTXHFBY-UHFFFAOYSA-N 0 0 169.199 1.341 10 0 ADAERN C[C@H](O)COCCC(F)(F)F 126407067 573532510 /nfs/dbraw/zinc/53/25/10/573532510.db2.gz UHWIZMNUMJGFAV-YFKPBYRVSA-N 0 0 172.146 1.336 10 0 ADAERN Nc1ccc([C@@H]2CCCS2)nn1 259492947 573532532 /nfs/dbraw/zinc/53/25/32/573532532.db2.gz QDJRVKKUKTYNLF-ZETCQYMHSA-N 0 0 181.264 1.627 10 0 ADAERN COc1cccc([C@@H]2CC(=O)NO2)c1 257828474 573532534 /nfs/dbraw/zinc/53/25/34/573532534.db2.gz IIXGJWMGNKZQRC-VIFPVBQESA-N 0 0 193.202 1.188 10 0 ADAERN COC(=N)CSCC(C)C 83497751 573532537 /nfs/dbraw/zinc/53/25/37/573532537.db2.gz GRCAKVPGDQTXES-UHFFFAOYSA-N 0 0 161.270 1.999 10 0 ADAERN C[C@@H]1O[C@@H]2CCCC(=O)[C@@]23C[C@@H]13 238429178 573532546 /nfs/dbraw/zinc/53/25/46/573532546.db2.gz PWKLABVITNAFSD-MFDQJXRNSA-N 0 0 166.220 1.533 10 0 ADAERN OCCc1ccc(-c2ncco2)cc1 258059311 573532552 /nfs/dbraw/zinc/53/25/52/573532552.db2.gz LHJOWYLOXBZIQO-UHFFFAOYSA-N 0 0 189.214 1.876 10 0 ADAERN OC1(c2cccc3c2COC3)CC1 258058140 573532574 /nfs/dbraw/zinc/53/25/74/573532574.db2.gz SEUYIALQTYWRGI-UHFFFAOYSA-N 0 0 176.215 1.698 10 0 ADAERN COC(=N)CSC(C)C 83489612 573532580 /nfs/dbraw/zinc/53/25/80/573532580.db2.gz PASMCDCVWSYGRO-UHFFFAOYSA-N 0 0 147.243 1.752 10 0 ADAERN C[C@@]1(C(=O)[O-])CC[C@H]2CCCC[N@@H+]21 257828190 573532593 /nfs/dbraw/zinc/53/25/93/573532593.db2.gz IHPWKFXTLGHGCB-SCZZXKLOSA-N 0 0 183.251 1.478 10 0 ADAERN CC(=O)[C@@H](C)[C@@H](O)c1ccncc1 238429999 573532639 /nfs/dbraw/zinc/53/26/39/573532639.db2.gz MRWVXWXQHMJOBQ-GMSGAONNSA-N 0 0 179.219 1.340 10 0 ADAERN O=Cc1ccc(N2OCCC2=O)cc1 257828914 573532645 /nfs/dbraw/zinc/53/26/45/573532645.db2.gz IMGYQXFXJLNDDX-UHFFFAOYSA-N 0 0 191.186 1.167 10 0 ADAERN CC(C)(C)CC[C@]1(O)CCOC1 83504218 573532656 /nfs/dbraw/zinc/53/26/56/573532656.db2.gz RRXRETFRMAAHDW-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN O=C1CC[C@@H](C(=O)[C@H]2CCCOC2)C1 86622533 573532682 /nfs/dbraw/zinc/53/26/82/573532682.db2.gz NYAXWYVTUSBSOR-BDAKNGLRSA-N 0 0 196.246 1.351 10 0 ADAERN OCc1noc2c1C(F)(F)CC2 257828182 573532687 /nfs/dbraw/zinc/53/26/87/573532687.db2.gz IHBOSLUAZDWVNE-UHFFFAOYSA-N 0 0 175.134 1.205 10 0 ADAERN CCCC[C@]1(C(N)=O)CCCCC1=O 206015262 573532700 /nfs/dbraw/zinc/53/27/00/573532700.db2.gz WUBRAELEDRZQBK-NSHDSACASA-N 0 0 197.278 1.791 10 0 ADAERN CN(CCc1ccc[nH]1)C(=O)S 258756430 573532706 /nfs/dbraw/zinc/53/27/06/573532706.db2.gz UZIJXBKDMLRFJA-UHFFFAOYSA-N 0 0 184.264 1.539 10 0 ADAERN C[C@H]1CCCC[C@H]1C(=O)CO 238431324 573537436 /nfs/dbraw/zinc/53/74/36/573537436.db2.gz BNAGLLNYEFCIBM-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN CC[C@@H](C)C[C@@]1(O)CCCOC1 83506468 573536707 /nfs/dbraw/zinc/53/67/07/573536707.db2.gz SXYSSEAYACDMAZ-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CC(=O)c1cnc2c(F)cccn12 107336729 573536708 /nfs/dbraw/zinc/53/67/08/573536708.db2.gz JRFYEPKIMHSFNG-UHFFFAOYSA-N 0 0 178.166 1.676 10 0 ADAERN CC(C)n1nnc2c1CCCC2=O 107338935 573536722 /nfs/dbraw/zinc/53/67/22/573536722.db2.gz UAKWXLUTPMHFCR-UHFFFAOYSA-N 0 0 179.223 1.378 10 0 ADAERN CC(=O)Cc1cc(F)cc(C)c1O 107344040 573536729 /nfs/dbraw/zinc/53/67/29/573536729.db2.gz HWYOTIMHXSNZFJ-UHFFFAOYSA-N 0 0 182.194 1.971 10 0 ADAERN C[C@@H]1CCC(=O)N[C@@H]1CC[C@@]1(C)CO1 238434255 573536738 /nfs/dbraw/zinc/53/67/38/573536738.db2.gz GSLYIRLOJWGBGZ-KKZNHRDASA-N 0 0 197.278 1.470 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](CO)CC2 107336477 573536739 /nfs/dbraw/zinc/53/67/39/573536739.db2.gz VTAOHCHPAMEEBL-SNVBAGLBSA-N 0 0 177.247 1.714 10 0 ADAERN CCCc1nnc2n1[C@H](CO)CCC2 258056004 573536752 /nfs/dbraw/zinc/53/67/52/573536752.db2.gz DAXZFKCPCABWRE-QMMMGPOBSA-N 0 0 195.266 1.100 10 0 ADAERN C[C@H](O)[C@]1(O)CCCc2ccccc21 238431101 573536757 /nfs/dbraw/zinc/53/67/57/573536757.db2.gz CBGLKDIKEJSEEA-JOYOIKCWSA-N 0 0 192.258 1.591 10 0 ADAERN CC[C@H](C)C[C@]1(O)CCOC1 83504269 573536768 /nfs/dbraw/zinc/53/67/68/573536768.db2.gz GNVNEFBHPAYZHY-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN COc1cc(CCO)cc(C)c1F 258053773 573536784 /nfs/dbraw/zinc/53/67/84/573536784.db2.gz KWXWVFLLIZTDPL-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN CC(C)c1ccncc1CCO 259492235 573537452 /nfs/dbraw/zinc/53/74/52/573537452.db2.gz YBNKSZLOEQXYLX-UHFFFAOYSA-N 0 0 165.236 1.740 10 0 ADAERN O[C@]1(Cc2cccs2)CCCOC1 83506441 573536797 /nfs/dbraw/zinc/53/67/97/573536797.db2.gz UVKSUXIGYDGUJH-JTQLQIEISA-N 0 0 198.287 1.832 10 0 ADAERN CCCC[C@]1(O)CCCOC1 83506416 573536805 /nfs/dbraw/zinc/53/68/05/573536805.db2.gz LQKLHURMGGTXIZ-VIFPVBQESA-N 0 0 158.241 1.718 10 0 ADAERN Cc1nn([C@@H]2CS[C@@H](C)C2)cc1N 716733154 573536824 /nfs/dbraw/zinc/53/68/24/573536824.db2.gz ZLFQGWPVJDJTID-XPUUQOCRSA-N 0 0 197.307 1.840 10 0 ADAERN COc1ccc(N(C)O)cc1OC 224252989 573536827 /nfs/dbraw/zinc/53/68/27/573536827.db2.gz ICTSYOUQXQHOKT-UHFFFAOYSA-N 0 0 183.207 1.529 10 0 ADAERN CC(C)CCCN(C)O 257824198 573536835 /nfs/dbraw/zinc/53/68/35/573536835.db2.gz FXYHNZDTTKDIHN-UHFFFAOYSA-N 0 0 131.219 1.744 10 0 ADAERN C[C@@]([NH3+])(CCO)c1ccccc1[S-] 238433803 573536845 /nfs/dbraw/zinc/53/68/45/573536845.db2.gz LZIJXWQNFRONRS-SNVBAGLBSA-N 0 0 197.303 1.532 10 0 ADAERN C[C@H]1CCCCO[C@@H](O)C1 224242095 573536847 /nfs/dbraw/zinc/53/68/47/573536847.db2.gz UOZJSKRIKPQUAY-JGVFFNPUSA-N 0 0 144.214 1.532 10 0 ADAERN CC[C@H](C(C)=O)[N@H+](C)C(C)C 220564616 573536853 /nfs/dbraw/zinc/53/68/53/573536853.db2.gz BGMVUDNUHYOXBJ-SECBINFHSA-N 0 0 157.257 1.694 10 0 ADAERN C[C@H]1CC[C@@]2(O)CCCC(=O)[C@@H]12 238431035 573536859 /nfs/dbraw/zinc/53/68/59/573536859.db2.gz KDKJRIRUXDLJAQ-SFGNSQDASA-N 0 0 168.236 1.517 10 0 ADAERN O[C@@]1(Cc2ccsc2)CCCOC1 83506450 573536870 /nfs/dbraw/zinc/53/68/70/573536870.db2.gz WOKKOHFXUBQNAY-SNVBAGLBSA-N 0 0 198.287 1.832 10 0 ADAERN O=C1NC[C@@H](c2ccc(O)cc2)O1 107338219 573536883 /nfs/dbraw/zinc/53/68/83/573536883.db2.gz XCYGRHCOQJOWMC-QMMMGPOBSA-N 0 0 179.175 1.173 10 0 ADAERN C[C@H](F)[C@@](C[NH3+])(C(=O)[O-])C(C)(C)C 257829279 573536886 /nfs/dbraw/zinc/53/68/86/573536886.db2.gz IRZBGURPADOHTB-RCOVLWMOSA-N 0 0 191.246 1.420 10 0 ADAERN C[C@@H](CO)c1cccc(F)c1N(C)C 259494743 573536899 /nfs/dbraw/zinc/53/68/99/573536899.db2.gz QHGIBSKOADBZOK-QMMMGPOBSA-N 0 0 197.253 1.988 10 0 ADAERN C[C@@H]1CCN[C@@H](c2ccccc2)N1 238433883 573536901 /nfs/dbraw/zinc/53/69/01/573536901.db2.gz HHEGNOULRWVFSD-MWLCHTKSSA-N 0 0 176.263 1.657 10 0 ADAERN O=C1C[C@H](F)CC2(CCCC2)N1 257829079 573536915 /nfs/dbraw/zinc/53/69/15/573536915.db2.gz ISXZPKLWOQSMQP-ZETCQYMHSA-N 0 0 171.215 1.547 10 0 ADAERN CC(=O)c1ncc2ccc(F)cn12 107336739 573536920 /nfs/dbraw/zinc/53/69/20/573536920.db2.gz XEZYVFQRTDDGAD-UHFFFAOYSA-N 0 0 178.166 1.676 10 0 ADAERN O=Cc1c(F)c(O)cc2c1OCCO2 257829212 573536923 /nfs/dbraw/zinc/53/69/23/573536923.db2.gz IPPLLCLGQPMYNW-UHFFFAOYSA-N 0 0 198.149 1.115 10 0 ADAERN CN(C)C(=O)/C=C/c1ccc(N)cc1 78577766 573536924 /nfs/dbraw/zinc/53/69/24/573536924.db2.gz TYOGEBUAZMRGQP-VMPITWQZSA-N 0 0 190.246 1.370 10 0 ADAERN OC/C=C/CNC/C(Cl)=C/Cl 717467630 573536928 /nfs/dbraw/zinc/53/69/28/573536928.db2.gz QKEKRXRQTJMOIO-HEPFNKNVSA-N 0 0 196.077 1.444 10 0 ADAERN CC(C)c1nnc2cccc(O)n12 258053258 573536938 /nfs/dbraw/zinc/53/69/38/573536938.db2.gz TYSLJNXDDPLNQK-UHFFFAOYSA-N 0 0 177.207 1.558 10 0 ADAERN Cc1c(CNO)ccc2c1OCO2 258054404 573536947 /nfs/dbraw/zinc/53/69/47/573536947.db2.gz RTFHBFHZNZTWBI-UHFFFAOYSA-N 0 0 181.191 1.203 10 0 ADAERN CC(C)(O)c1ccc(O)cc1C=O 258054544 573536958 /nfs/dbraw/zinc/53/69/58/573536958.db2.gz RXBYDJMPFKBUHA-UHFFFAOYSA-N 0 0 180.203 1.432 10 0 ADAERN C[C@@H](F)[C@](C[NH3+])(C(=O)[O-])C(C)(C)C 257829276 573537005 /nfs/dbraw/zinc/53/70/05/573537005.db2.gz IRZBGURPADOHTB-HZGVNTEJSA-N 0 0 191.246 1.420 10 0 ADAERN CC[C@H]1CN(C(C)C)C(=O)N1C 259614696 573537006 /nfs/dbraw/zinc/53/70/06/573537006.db2.gz XGSKLCFXMQHVRJ-QMMMGPOBSA-N 0 0 170.256 1.541 10 0 ADAERN O[C@@]1(Cc2cccs2)CCCOC1 83506440 573537011 /nfs/dbraw/zinc/53/70/11/573537011.db2.gz UVKSUXIGYDGUJH-SNVBAGLBSA-N 0 0 198.287 1.832 10 0 ADAERN C[NH2+][C@H](/C=C/C(=O)[O-])C(C)(C)C 220650599 573537017 /nfs/dbraw/zinc/53/70/17/573537017.db2.gz JPAASDORPWXGCQ-WEWAHIQMSA-N 0 0 171.240 1.261 10 0 ADAERN CC(=O)Cc1cccc([C@H](C)O)c1 259494794 573537029 /nfs/dbraw/zinc/53/70/29/573537029.db2.gz QHZOBEBMHACHAH-VIFPVBQESA-N 0 0 178.231 1.871 10 0 ADAERN CCN1C(=O)Cc2c(Cl)ncnc21 258054509 573537030 /nfs/dbraw/zinc/53/70/30/573537030.db2.gz RVKMALBAIDEVTG-UHFFFAOYSA-N 0 0 197.625 1.039 10 0 ADAERN COCC[C@@H](CSC)C(=O)OC 258054300 573537045 /nfs/dbraw/zinc/53/70/45/573537045.db2.gz HUHPIADVCWPGRK-ZETCQYMHSA-N 0 0 192.280 1.175 10 0 ADAERN COc1cc(CCO)ccc1SC 258055701 573537047 /nfs/dbraw/zinc/53/70/47/573537047.db2.gz HEOSSOPOMMAEFE-UHFFFAOYSA-N 0 0 198.287 1.952 10 0 ADAERN C[C@H]1CCCC[C@@]12OCCN2CCO 238430837 573537072 /nfs/dbraw/zinc/53/70/72/573537072.db2.gz RPXJJFCISBDUEQ-WDEREUQCSA-N 0 0 199.294 1.217 10 0 ADAERN CC(=O)c1ncc2cccc(F)n12 107336737 573537078 /nfs/dbraw/zinc/53/70/78/573537078.db2.gz UQPLLRUYROQYND-UHFFFAOYSA-N 0 0 178.166 1.676 10 0 ADAERN C[C@@H](ON)[C@H]1CCCCS1 259494737 573537093 /nfs/dbraw/zinc/53/70/93/573537093.db2.gz PXUXEINSISMUIZ-RNFRBKRXSA-N 0 0 161.270 1.551 10 0 ADAERN CC[C@H](CC1CC1)NC(C)=O 78586502 573537103 /nfs/dbraw/zinc/53/71/03/573537103.db2.gz VQZDTIGGIIPEQE-SECBINFHSA-N 0 0 155.241 1.701 10 0 ADAERN C[C@H]1CCCC[C@@]2(C1)NC(=O)NC2=O 238430965 573537134 /nfs/dbraw/zinc/53/71/34/573537134.db2.gz RQIVQDBNVIIJIL-XVKPBYJWSA-N 0 0 196.250 1.165 10 0 ADAERN O=Cc1cnc(-c2cccc(O)c2)o1 258055618 573537145 /nfs/dbraw/zinc/53/71/45/573537145.db2.gz LEQWPLSTRNNLBF-UHFFFAOYSA-N 0 0 189.170 1.860 10 0 ADAERN CC(C)CCN1CCCC(=O)C1=O 259495056 573537154 /nfs/dbraw/zinc/53/71/54/573537154.db2.gz SLNLHUBSYBPQSK-UHFFFAOYSA-N 0 0 183.251 1.224 10 0 ADAERN COc1c(F)[n-]cc(C(F)F)c1=O 238430643 573537157 /nfs/dbraw/zinc/53/71/57/573537157.db2.gz KYWIFUKEJULDPP-UHFFFAOYSA-N 0 0 193.124 1.873 10 0 ADAERN CC(C)CC[C@]1(O)CCCOC1 83506452 573537198 /nfs/dbraw/zinc/53/71/98/573537198.db2.gz QGJCAAXCWGQKMG-SNVBAGLBSA-N 0 0 172.268 1.964 10 0 ADAERN OC[C@@H]1[C@H]2CN(c3ccccc3)C[C@H]21 259492170 573537206 /nfs/dbraw/zinc/53/72/06/573537206.db2.gz YAFBQTBTMHOBSJ-GDNZZTSVSA-N 0 0 189.258 1.361 10 0 ADAERN CC[C@@H](C)C[C@]1(O)CCOC1 83504268 573537213 /nfs/dbraw/zinc/53/72/13/573537213.db2.gz GNVNEFBHPAYZHY-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CC(=O)Cc1cccc([C@@H](C)O)c1 259494792 573537214 /nfs/dbraw/zinc/53/72/14/573537214.db2.gz QHZOBEBMHACHAH-SECBINFHSA-N 0 0 178.231 1.871 10 0 ADAERN O[C@H](CC1CCCC1)[C@H]1CCOC1 83505165 573537215 /nfs/dbraw/zinc/53/72/15/573537215.db2.gz YMJLEURBPZGFSY-WDEREUQCSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1c(C[C@@H](C)[NH3+])cccc1C(=O)[O-] 238434070 573537232 /nfs/dbraw/zinc/53/72/32/573537232.db2.gz KYUXUNBWPMYVPT-SSDOTTSWSA-N 0 0 193.246 1.583 10 0 ADAERN C[C@H]1C(=O)CCc2ncccc21 238433971 573537242 /nfs/dbraw/zinc/53/72/42/573537242.db2.gz DTZCPUCYROBDLT-SSDOTTSWSA-N 0 0 161.204 1.700 10 0 ADAERN N#CN1C[C@H](c2cccs2)NC1=O 259497361 573537244 /nfs/dbraw/zinc/53/72/44/573537244.db2.gz PXAGXWVALLEYRB-ZCFIWIBFSA-N 0 0 193.231 1.295 10 0 ADAERN Nc1cc([C@@H]2CCCS2)c[nH]c1=O 258054635 573537247 /nfs/dbraw/zinc/53/72/47/573537247.db2.gz KHIDVAIOMZBENR-QMMMGPOBSA-N 0 0 196.275 1.938 10 0 ADAERN O=C1CC[C@@H]([C@H]2CCCCO2)O1 214641097 573537253 /nfs/dbraw/zinc/53/72/53/573537253.db2.gz HJMGFJSGFVOWAI-SFYZADRCSA-N 0 0 170.208 1.261 10 0 ADAERN OC/C=C\CNC/C(Cl)=C/Cl 717467634 573537262 /nfs/dbraw/zinc/53/72/62/573537262.db2.gz QKEKRXRQTJMOIO-PQZOIKATSA-N 0 0 196.077 1.444 10 0 ADAERN CC(C)/C(Br)=C\CO 220622472 573537264 /nfs/dbraw/zinc/53/72/64/573537264.db2.gz PQOQUIRXXXYVGQ-ZZXKWVIFSA-N 0 0 179.057 1.914 10 0 ADAERN O[C@@H](CC1CCCC1)[C@@H]1CCOC1 83505162 573537310 /nfs/dbraw/zinc/53/73/10/573537310.db2.gz YMJLEURBPZGFSY-MNOVXSKESA-N 0 0 184.279 1.964 10 0 ADAERN O[C@@]1(CCc2cccs2)CCOC1 83504258 573537327 /nfs/dbraw/zinc/53/73/27/573537327.db2.gz XZKRVJNYHFRSPX-JTQLQIEISA-N 0 0 198.287 1.832 10 0 ADAERN C[C@H](CO)CCCC1OCCO1 238430799 573537328 /nfs/dbraw/zinc/53/73/28/573537328.db2.gz LNAHIAQEYVNVBT-QMMMGPOBSA-N 0 0 174.240 1.158 10 0 ADAERN CC(=O)Cc1cc(C)cc(F)c1O 107344047 573537331 /nfs/dbraw/zinc/53/73/31/573537331.db2.gz DTZHKDXUXFJDAX-UHFFFAOYSA-N 0 0 182.194 1.971 10 0 ADAERN Cc1nc(N)oc1-c1cccc(O)c1 257829667 573537341 /nfs/dbraw/zinc/53/73/41/573537341.db2.gz ISOXUIUGQGDIKP-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN COc1cccc2c1[C@H](CON)CO2 258052969 573537344 /nfs/dbraw/zinc/53/73/44/573537344.db2.gz LFRPQABVWTVDSO-ZETCQYMHSA-N 0 0 195.218 1.062 10 0 ADAERN COC1(c2cccc(C)c2)COC1 258761398 573537350 /nfs/dbraw/zinc/53/73/50/573537350.db2.gz SFLZDOWJYKGXTF-UHFFFAOYSA-N 0 0 178.231 1.867 10 0 ADAERN CC(C)CC[C@@]1(O)CCCOC1 83506453 573537366 /nfs/dbraw/zinc/53/73/66/573537366.db2.gz QGJCAAXCWGQKMG-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN O=Cc1ccc(F)c2c1OCOC2 107343571 573537374 /nfs/dbraw/zinc/53/73/74/573537374.db2.gz UNCOOJPPOAHWAG-UHFFFAOYSA-N 0 0 182.150 1.505 10 0 ADAERN O=C([O-])c1ncc2cc(F)ccn12 107339858 573537383 /nfs/dbraw/zinc/53/73/83/573537383.db2.gz VRAZOMCYJKVUQZ-UHFFFAOYSA-N 0 0 180.138 1.172 10 0 ADAERN NC(=O)[C@H]1C[C@@H](CC2CCC2)CC[NH2+]1 236286755 573537386 /nfs/dbraw/zinc/53/73/86/573537386.db2.gz HSOSLCKYNYAMLX-NXEZZACHSA-N 0 0 196.294 1.030 10 0 ADAERN Cc1c(C(=O)[O-])cccc1[C@H](C)[NH3+] 238430647 573537402 /nfs/dbraw/zinc/53/74/02/573537402.db2.gz QQUHPGQGNCUUTM-ZETCQYMHSA-N 0 0 179.219 1.713 10 0 ADAERN C[C@@H]1Oc2c[nH]cc2O[C@H]1C 238430845 573537412 /nfs/dbraw/zinc/53/74/12/573537412.db2.gz YOSHGJDOFPNZLL-WDSKDSINSA-N 0 0 153.181 1.563 10 0 ADAERN CCCCCCn1ncc(N)c1N 143918160 573537425 /nfs/dbraw/zinc/53/74/25/573537425.db2.gz VXJSHSKTNNDZPM-UHFFFAOYSA-N 0 0 182.271 1.628 10 0 ADAERN COC(=O)N1CCO[C@@H]2CCCC[C@H]21 75358556 573537427 /nfs/dbraw/zinc/53/74/27/573537427.db2.gz DMDWBTVYPVXXFY-RKDXNWHRSA-N 0 0 199.250 1.396 10 0 ADAERN C[C@H](C(N)=O)[C@H]1C=CCCC1 238430502 573537428 /nfs/dbraw/zinc/53/74/28/573537428.db2.gz ODRSESIEZYYFLV-YUMQZZPRSA-N 0 0 153.225 1.464 10 0 ADAERN COc1nc(C(=O)C(C)C)cs1 107347301 573537430 /nfs/dbraw/zinc/53/74/30/573537430.db2.gz AXAHTMPUJZMYGM-UHFFFAOYSA-N 0 0 185.248 1.990 10 0 ADAERN CC(C)=COCC[C@H](C)O 238434132 573538276 /nfs/dbraw/zinc/53/82/76/573538276.db2.gz LYWAFOFMAGDYBN-QMMMGPOBSA-N 0 0 144.214 1.698 10 0 ADAERN O[C@]1(CC2CCCC2)CCOC1 83504265 573537481 /nfs/dbraw/zinc/53/74/81/573537481.db2.gz BMIIXLCCISEHLI-JTQLQIEISA-N 0 0 170.252 1.718 10 0 ADAERN O[C@]1(Cc2ccsc2)CCCOC1 83506451 573537494 /nfs/dbraw/zinc/53/74/94/573537494.db2.gz WOKKOHFXUBQNAY-JTQLQIEISA-N 0 0 198.287 1.832 10 0 ADAERN COC(=O)c1nc(C)[nH]c1C(C)C 259492169 573537553 /nfs/dbraw/zinc/53/75/53/573537553.db2.gz OZLXIMHCOLQKPC-UHFFFAOYSA-N 0 0 182.223 1.628 10 0 ADAERN O[C@H](CC1CCCC1)[C@@H]1CCOC1 83505163 573537583 /nfs/dbraw/zinc/53/75/83/573537583.db2.gz YMJLEURBPZGFSY-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN Cc1nc(C=O)n2cc(F)ccc12 107336742 573537588 /nfs/dbraw/zinc/53/75/88/573537588.db2.gz BKBOOZWPHVCDIV-UHFFFAOYSA-N 0 0 178.166 1.594 10 0 ADAERN Nc1nc(Cl)c2c(F)cccn12 107347579 573537602 /nfs/dbraw/zinc/53/76/02/573537602.db2.gz DRRXIUDVMYEKDI-UHFFFAOYSA-N 0 0 185.589 1.709 10 0 ADAERN COc1ccc(SNN)cc1C 259104397 573537617 /nfs/dbraw/zinc/53/76/17/573537617.db2.gz AFAXQVJATFORRA-UHFFFAOYSA-N 0 0 184.264 1.474 10 0 ADAERN C[C@H]1CCCC[C@@]12NC(=O)NC2=S 238430660 573537626 /nfs/dbraw/zinc/53/76/26/573537626.db2.gz CSNNNLVEPRWALP-IMTBSYHQSA-N 0 0 198.291 1.576 10 0 ADAERN NOC[C@@H](F)c1ccccc1 259492318 573537628 /nfs/dbraw/zinc/53/76/28/573537628.db2.gz YDDHCCIWCGDYMM-MRVPVSSYSA-N 0 0 155.172 1.588 10 0 ADAERN O[C@H](c1ccc[nH]1)C(F)(F)C(F)F 86639094 573537632 /nfs/dbraw/zinc/53/76/32/573537632.db2.gz MGVWDQORTPTDLZ-RXMQYKEDSA-N 0 0 197.131 1.949 10 0 ADAERN CC[C@@H](C)C[C@]1(O)CCCOC1 83506466 573537644 /nfs/dbraw/zinc/53/76/44/573537644.db2.gz SXYSSEAYACDMAZ-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN CCCCNc1cc(NC#N)ncn1 258761614 573537648 /nfs/dbraw/zinc/53/76/48/573537648.db2.gz XUSQXTKUZGZODE-UHFFFAOYSA-N 0 0 191.238 1.582 10 0 ADAERN C[C@@H]1C[C@@H](O)OCC(C)(C)C1 238431082 573537654 /nfs/dbraw/zinc/53/76/54/573537654.db2.gz KLZNUMDQLRRUMF-SFYZADRCSA-N 0 0 158.241 1.778 10 0 ADAERN COc1ncccc1C(=O)C(C)C 107338495 573537667 /nfs/dbraw/zinc/53/76/67/573537667.db2.gz YBBUUIDSWUHTAZ-UHFFFAOYSA-N 0 0 179.219 1.929 10 0 ADAERN CC(=O)SCC[C@H](C)O 238434305 573537675 /nfs/dbraw/zinc/53/76/75/573537675.db2.gz CGRGENXGZHWFHL-YFKPBYRVSA-N 0 0 148.227 1.037 10 0 ADAERN C[C@H]1C(=O)CCc2c(O)ccc(O)c21 238433922 573537688 /nfs/dbraw/zinc/53/76/88/573537688.db2.gz KDNCAZOJNQVYJN-LURJTMIESA-N 0 0 192.214 1.717 10 0 ADAERN CN[C@H](C(C)=O)c1ccccc1OC 259492364 573537692 /nfs/dbraw/zinc/53/76/92/573537692.db2.gz RKIPOWBCOPVNHC-LLVKDONJSA-N 0 0 193.246 1.545 10 0 ADAERN Cc1nn2ccccc2c1[C@H](C)O 238434003 573537702 /nfs/dbraw/zinc/53/77/02/573537702.db2.gz OYERZIHXUKVCEB-QMMMGPOBSA-N 0 0 176.219 1.696 10 0 ADAERN O[C@@]1(CC2CCCC2)CCOC1 83504264 573537707 /nfs/dbraw/zinc/53/77/07/573537707.db2.gz BMIIXLCCISEHLI-SNVBAGLBSA-N 0 0 170.252 1.718 10 0 ADAERN C[C@@H]1CCC(=O)N2C[C@H](CO)CC[C@@H]12 238434069 573537710 /nfs/dbraw/zinc/53/77/10/573537710.db2.gz MKNRVJLMLLJLBT-BBBLOLIVSA-N 0 0 197.278 1.016 10 0 ADAERN CC[C@H](C)C[C@@]1(O)CCOC1 83504271 573537714 /nfs/dbraw/zinc/53/77/14/573537714.db2.gz GNVNEFBHPAYZHY-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CCOC(=O)Cc1nc(CC)cn1C 259493828 573537724 /nfs/dbraw/zinc/53/77/24/573537724.db2.gz PEBVHHYQWLRFQZ-UHFFFAOYSA-N 0 0 196.250 1.088 10 0 ADAERN Cc1nn([C@@H]2CS[C@H](C)C2)cc1N 716733153 573537759 /nfs/dbraw/zinc/53/77/59/573537759.db2.gz ZLFQGWPVJDJTID-SVRRBLITSA-N 0 0 197.307 1.840 10 0 ADAERN Cc1nc2ccc(=O)c(N)c-2[nH]c1C 259492653 573537773 /nfs/dbraw/zinc/53/77/73/573537773.db2.gz PRRYPOAMWMOUOS-UHFFFAOYSA-N 0 0 189.218 1.534 10 0 ADAERN O=C1C[C@@H](F)CC2(CCCC2)N1 257829078 573537783 /nfs/dbraw/zinc/53/77/83/573537783.db2.gz ISXZPKLWOQSMQP-SSDOTTSWSA-N 0 0 171.215 1.547 10 0 ADAERN C[C@H](C(N)=O)[C@@H]1CCc2ccccc21 238431380 573537806 /nfs/dbraw/zinc/53/78/06/573537806.db2.gz REOWSDLVBSYZOL-WPRPVWTQSA-N 0 0 189.258 1.838 10 0 ADAERN C[C@@]12CCCC[C@H]1C(=O)NC2 238431336 573537817 /nfs/dbraw/zinc/53/78/17/573537817.db2.gz AOOASDVDOYWUQY-CBAPKCEASA-N 0 0 153.225 1.313 10 0 ADAERN Cn1cc(-c2ccccc2O)c(N)n1 257829330 573538282 /nfs/dbraw/zinc/53/82/82/573538282.db2.gz IWCBLHBEVJKBAJ-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN C[C@@H](ON)[C@@H]1CCCCS1 259494739 573537829 /nfs/dbraw/zinc/53/78/29/573537829.db2.gz PXUXEINSISMUIZ-RQJHMYQMSA-N 0 0 161.270 1.551 10 0 ADAERN O=C([O-])c1ncc2cccc(F)n12 107339852 573537833 /nfs/dbraw/zinc/53/78/33/573537833.db2.gz KCVZTJIAGZDJDO-UHFFFAOYSA-N 0 0 180.138 1.172 10 0 ADAERN C[C@@H]1CCCCO[C@@H](O)C1 224242036 573537847 /nfs/dbraw/zinc/53/78/47/573537847.db2.gz UOZJSKRIKPQUAY-HTQZYQBOSA-N 0 0 144.214 1.532 10 0 ADAERN O=C([O-])C1([C@H]2CCCC[NH2+]2)CCC1 107345698 573537860 /nfs/dbraw/zinc/53/78/60/573537860.db2.gz SULYKGMDNZJZLM-MRVPVSSYSA-N 0 0 183.251 1.383 10 0 ADAERN Cc1cc(C[C@H](C)[NH3+])ccc1C(=O)[O-] 238431292 573537861 /nfs/dbraw/zinc/53/78/61/573537861.db2.gz KPQJTCUSFDGYIR-QMMMGPOBSA-N 0 0 193.246 1.583 10 0 ADAERN N#CN1C[C@@H](c2cccs2)NC1=O 259497359 573537872 /nfs/dbraw/zinc/53/78/72/573537872.db2.gz PXAGXWVALLEYRB-LURJTMIESA-N 0 0 193.231 1.295 10 0 ADAERN C[C@H]1C[C@H](C(C)(C)O)[C@H](O)C1 238431393 573537877 /nfs/dbraw/zinc/53/78/77/573537877.db2.gz YSYBZMYZNLQAAR-BIIVOSGPSA-N 0 0 158.241 1.164 10 0 ADAERN O[C@@H](c1cc[nH]c1)C(F)(F)C(F)F 86639096 573537882 /nfs/dbraw/zinc/53/78/82/573537882.db2.gz MWSRTHDIBMFJHS-YFKPBYRVSA-N 0 0 197.131 1.949 10 0 ADAERN CC(=O)C[C@@H]1OCC[C@H]1C 238433744 573537897 /nfs/dbraw/zinc/53/78/97/573537897.db2.gz HJBHDEONXJBNDZ-SVRRBLITSA-N 0 0 142.198 1.391 10 0 ADAERN CC(C)C(=O)[C@H](O)c1ccccn1 258760553 573537905 /nfs/dbraw/zinc/53/79/05/573537905.db2.gz KPBJKONRWCGDDK-SNVBAGLBSA-N 0 0 179.219 1.340 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@H]1CCCC[NH2+]1 107347473 573537912 /nfs/dbraw/zinc/53/79/12/573537912.db2.gz MRYXXFKJOKIRBC-RKDXNWHRSA-N 0 0 185.267 1.485 10 0 ADAERN CC[C@H](C)C[C@]1(O)CCCOC1 83506467 573537918 /nfs/dbraw/zinc/53/79/18/573537918.db2.gz SXYSSEAYACDMAZ-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN COc1ccc(C(=O)C(C)C)nn1 107340093 573537928 /nfs/dbraw/zinc/53/79/28/573537928.db2.gz NRTIRZUMAUMMDH-UHFFFAOYSA-N 0 0 180.207 1.324 10 0 ADAERN C[C@@H]1C[C@@H](O)ON1Cc1ccccc1 238431176 573538288 /nfs/dbraw/zinc/53/82/88/573538288.db2.gz YLQQTYLMIOBRFE-KOLCDFICSA-N 0 0 193.246 1.531 10 0 ADAERN CCOC(=O)/C=C\C[C@@H](C)CCO 220593208 573537954 /nfs/dbraw/zinc/53/79/54/573537954.db2.gz VWIOOHZBTUDSDE-XTULLQBASA-N 0 0 186.251 1.514 10 0 ADAERN CCOC(=O)c1ccc(NOC)cc1 200223965 573537961 /nfs/dbraw/zinc/53/79/61/573537961.db2.gz CQBUAXUAGJXLCJ-UHFFFAOYSA-N 0 0 195.218 1.837 10 0 ADAERN C[C@H](F)[C@](C[NH3+])(C(=O)[O-])C(C)(C)C 257829277 573537964 /nfs/dbraw/zinc/53/79/64/573537964.db2.gz IRZBGURPADOHTB-IMTBSYHQSA-N 0 0 191.246 1.420 10 0 ADAERN CC(=O)c1ncc2cc(F)ccn12 107336743 573537967 /nfs/dbraw/zinc/53/79/67/573537967.db2.gz JLJRFLYYIRTYLR-UHFFFAOYSA-N 0 0 178.166 1.676 10 0 ADAERN Cc1cccc2c1N[C@@H](CO)CC2 107336480 573537980 /nfs/dbraw/zinc/53/79/80/573537980.db2.gz OHEUQASTTPUEKK-SNVBAGLBSA-N 0 0 177.247 1.714 10 0 ADAERN CC[C@H](CO)Cc1ccc[nH]1 259497423 573538008 /nfs/dbraw/zinc/53/80/08/573538008.db2.gz UERUOGXUXDSWLT-QMMMGPOBSA-N 0 0 153.225 1.576 10 0 ADAERN Cc1nc(C=O)n2ccc(F)cc12 107336744 573538036 /nfs/dbraw/zinc/53/80/36/573538036.db2.gz KKJNTNRKIQBKSM-UHFFFAOYSA-N 0 0 178.166 1.594 10 0 ADAERN C[C@H]1CC[C@@](O)(C(F)F)CO1 401958470 573538038 /nfs/dbraw/zinc/53/80/38/573538038.db2.gz SAFBYDKCOCOXKW-FSPLSTOPSA-N 0 0 166.167 1.182 10 0 ADAERN Clc1nc(Br)c[nH]1 107343435 573538044 /nfs/dbraw/zinc/53/80/44/573538044.db2.gz SNODATUILHBXFF-UHFFFAOYSA-N 0 0 181.420 1.826 10 0 ADAERN CSc1cnc(C=O)c(F)c1 238433771 573538050 /nfs/dbraw/zinc/53/80/50/573538050.db2.gz YKNZDQOTAHKTFX-UHFFFAOYSA-N 0 0 171.196 1.755 10 0 ADAERN C[C@H](O)[C@]1([Si](C)(C)C)O[C@@H]1C 238430692 573538067 /nfs/dbraw/zinc/53/80/67/573538067.db2.gz GZYHVXNWVLORSK-XLPZGREQSA-N 0 0 174.316 1.402 10 0 ADAERN CO[C@H]1COc2cc(O)ccc2C1 257829451 573538081 /nfs/dbraw/zinc/53/80/81/573538081.db2.gz IWKKDXYXEBUXCR-SECBINFHSA-N 0 0 180.203 1.342 10 0 ADAERN O=Cc1ncc2c(n1)CCSCC2 257829681 573538100 /nfs/dbraw/zinc/53/81/00/573538100.db2.gz ISZBBQVUMJEAJJ-UHFFFAOYSA-N 0 0 194.259 1.121 10 0 ADAERN CSc1cnc(OC(C)C)cn1 238434112 573538123 /nfs/dbraw/zinc/53/81/23/573538123.db2.gz XJWJKTWMUGBYDI-UHFFFAOYSA-N 0 0 184.264 1.986 10 0 ADAERN Cc1nc2nc(N)nc(Cl)c2o1 258056518 573538133 /nfs/dbraw/zinc/53/81/33/573538133.db2.gz SCGJEIBRLXHLJS-UHFFFAOYSA-N 0 0 184.586 1.162 10 0 ADAERN Cc1nc2c(F)cccn2c1C=O 107336734 573538164 /nfs/dbraw/zinc/53/81/64/573538164.db2.gz GOHAXUSXTVQLHG-UHFFFAOYSA-N 0 0 178.166 1.594 10 0 ADAERN CCOC(=O)C(C)(C)Nc1cc[nH]c1 258760572 573538172 /nfs/dbraw/zinc/53/81/72/573538172.db2.gz JQSPXDLEQNVMDR-UHFFFAOYSA-N 0 0 196.250 1.768 10 0 ADAERN Cc1ccc([C@H]2NCC[C@@H](C)N2)cc1 238434144 573538177 /nfs/dbraw/zinc/53/81/77/573538177.db2.gz KCUVJOHDFBYLOS-PWSUYJOCSA-N 0 0 190.290 1.965 10 0 ADAERN C[C@@H]1CC[C@](O)(C(F)F)CO1 401958471 573538180 /nfs/dbraw/zinc/53/81/80/573538180.db2.gz SAFBYDKCOCOXKW-IYSWYEEDSA-N 0 0 166.167 1.182 10 0 ADAERN Cc1cccc2c1[C@H](CCO)CN2 144018329 573538181 /nfs/dbraw/zinc/53/81/81/573538181.db2.gz JYRCEHDULJABLO-SECBINFHSA-N 0 0 177.247 1.887 10 0 ADAERN C1=CC2=C(C1)[C@@H](Nc1ccccc1)NN2 308616743 573538185 /nfs/dbraw/zinc/53/81/85/573538185.db2.gz SBSGOVXMBGSWPX-LBPRGKRZSA-N 0 0 199.257 1.746 10 0 ADAERN CC(C)CC[C@@]1(O)CCOC1 83504253 573538207 /nfs/dbraw/zinc/53/82/07/573538207.db2.gz RNHOHPVKNYTPDZ-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN C[C@H](ON)[C@H]1CCCCS1 259494734 573538208 /nfs/dbraw/zinc/53/82/08/573538208.db2.gz PXUXEINSISMUIZ-NKWVEPMBSA-N 0 0 161.270 1.551 10 0 ADAERN C[C@@H]1C[C@@H](O)C[C@@H]1C(C)(C)O 238430595 573538209 /nfs/dbraw/zinc/53/82/09/573538209.db2.gz QIFLCNVJDCXUOU-PRJMDXOYSA-N 0 0 158.241 1.164 10 0 ADAERN CC(C)=C[C@@H](C)[C@@H]1COC(=O)N1 238433820 573538216 /nfs/dbraw/zinc/53/82/16/573538216.db2.gz NGRMMKHDOAPTDO-SFYZADRCSA-N 0 0 169.224 1.697 10 0 ADAERN CCCCC[N@H+](C)C/C=C\C(=O)[O-] 220633106 573538233 /nfs/dbraw/zinc/53/82/33/573538233.db2.gz BWEBNNWCNGKMHO-SREVYHEPSA-N 0 0 185.267 1.749 10 0 ADAERN COc1ncccc1[C@H]1CCCC1=O 238434111 573538254 /nfs/dbraw/zinc/53/82/54/573538254.db2.gz PDEBVTNPZVYJKH-MRVPVSSYSA-N 0 0 191.230 1.927 10 0 ADAERN Cn1cc(NC[C@H]2CCCS2)nn1 715867504 573538259 /nfs/dbraw/zinc/53/82/59/573538259.db2.gz OBWKMLQWCFQGFT-SSDOTTSWSA-N 0 0 198.295 1.123 10 0 ADAERN C[C@@H]1CCO[C@H]1CCCO 238433789 573538261 /nfs/dbraw/zinc/53/82/61/573538261.db2.gz UYDRKZHEBCZPKZ-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN O[C@]1(CCc2cccs2)CCOC1 83504259 573538264 /nfs/dbraw/zinc/53/82/64/573538264.db2.gz XZKRVJNYHFRSPX-SNVBAGLBSA-N 0 0 198.287 1.832 10 0 ADAERN Cc1ccc(N[C@H](O)[C@@H](C)O)cc1C 238430547 573538267 /nfs/dbraw/zinc/53/82/67/573538267.db2.gz JHJVHCXQHRTDPS-MWLCHTKSSA-N 0 0 195.262 1.415 10 0 ADAERN CC(C)CCN1C[C@H](O)CCC1=O 259493327 573537462 /nfs/dbraw/zinc/53/74/62/573537462.db2.gz SJDLQBKEBFHJGA-SECBINFHSA-N 0 0 185.267 1.016 10 0 ADAERN CCCC[C@@]1(O)CCCOC1 83506417 573537467 /nfs/dbraw/zinc/53/74/67/573537467.db2.gz LQKLHURMGGTXIZ-SECBINFHSA-N 0 0 158.241 1.718 10 0 ADAERN C[C@H](O)c1c(F)c(F)nc(F)c1F 238434207 573537472 /nfs/dbraw/zinc/53/74/72/573537472.db2.gz VXNZUZLVMFMPAS-REOHCLBHSA-N 0 0 195.115 1.691 10 0 ADAERN Cc1sc(=N)n(C)c1C 144036147 573537476 /nfs/dbraw/zinc/53/74/76/573537476.db2.gz MKEFNIBHUZWQOS-UHFFFAOYSA-N 0 0 142.227 1.183 10 0 ADAERN CC(=O)c1cc(F)cc2c1OCOC2 107363538 573546180 /nfs/dbraw/zinc/54/61/80/573546180.db2.gz QPIFJEWEHRBQGH-UHFFFAOYSA-N 0 0 196.177 1.895 10 0 ADAERN CC(C)(C)n1[nH]c(=O)c2c1CCC2 257824998 573546188 /nfs/dbraw/zinc/54/61/88/573546188.db2.gz GWHNGHMNHRPWHT-UHFFFAOYSA-N 0 0 180.251 1.832 10 0 ADAERN COc1c(O)ccc2cnccc12 238435842 573546209 /nfs/dbraw/zinc/54/62/09/573546209.db2.gz AXGYKTNPUUXFIC-UHFFFAOYSA-N 0 0 175.187 1.949 10 0 ADAERN C[C@H]1CCC[N@@H+]1C1(C(=O)[O-])CC1 86658193 573546211 /nfs/dbraw/zinc/54/62/11/573546211.db2.gz KISFMRMXGNXDDQ-ZETCQYMHSA-N 0 0 169.224 1.088 10 0 ADAERN C[C@@H](O)c1c[nH]c2ccccc2c1=O 95534991 573546235 /nfs/dbraw/zinc/54/62/35/573546235.db2.gz ZETLOWDTYJKRTL-SSDOTTSWSA-N 0 0 189.214 1.581 10 0 ADAERN C[C@H]1C(=O)CC[C@@H]1n1cccn1 238436498 573546257 /nfs/dbraw/zinc/54/62/57/573546257.db2.gz XKKCMNOWUHDLKV-SFYZADRCSA-N 0 0 164.208 1.423 10 0 ADAERN O=C1CCCON1c1ccc(O)cc1 257825379 573546270 /nfs/dbraw/zinc/54/62/70/573546270.db2.gz HFRWNTZXWUDKOM-UHFFFAOYSA-N 0 0 193.202 1.451 10 0 ADAERN Cc1ccc(F)cc1C(=O)CN 83553862 573546274 /nfs/dbraw/zinc/54/62/74/573546274.db2.gz IWGSQHMNAMSTIR-UHFFFAOYSA-N 0 0 167.183 1.276 10 0 ADAERN CC(C)C[C@@H](CO)NCC(F)F 40776799 573546275 /nfs/dbraw/zinc/54/62/75/573546275.db2.gz DXAXVPYIHYXWTC-ZETCQYMHSA-N 0 0 181.226 1.248 10 0 ADAERN CC(C)C1=C[C@H](O)CC1 83548557 573546287 /nfs/dbraw/zinc/54/62/87/573546287.db2.gz WOFDGYXAFHSFPE-MRVPVSSYSA-N 0 0 126.199 1.724 10 0 ADAERN COC(=O)[C@@H](F)c1cccs1 257825501 573546288 /nfs/dbraw/zinc/54/62/88/573546288.db2.gz HBMCIMBKQBZHIF-LURJTMIESA-N 0 0 174.196 1.932 10 0 ADAERN CC(=O)[C@]1(O)C[C@@H](C)C[C@@H]1C 238436774 573546291 /nfs/dbraw/zinc/54/62/91/573546291.db2.gz KZIJPDMABURTDC-ZKWXMUAHSA-N 0 0 156.225 1.373 10 0 ADAERN CC(=O)O/C(C)=C\[C@@H](C)C(C)=O 144171500 573546296 /nfs/dbraw/zinc/54/62/96/573546296.db2.gz JENUKVLZOYNNGN-XOQWBGJWSA-N 0 0 170.208 1.678 10 0 ADAERN Nc1ccc(Cl)cc1C(=O)CCO 257825130 573546306 /nfs/dbraw/zinc/54/63/06/573546306.db2.gz FJZWPEFKEGKMLR-UHFFFAOYSA-N 0 0 199.637 1.487 10 0 ADAERN CCC[C@@H](C)CSC[C@H](O)CO 86660805 573546319 /nfs/dbraw/zinc/54/63/19/573546319.db2.gz OCIPESPEVDAYHS-RKDXNWHRSA-N 0 0 192.324 1.509 10 0 ADAERN COc1ncnc2cnc(Cl)cc12 238436622 573546321 /nfs/dbraw/zinc/54/63/21/573546321.db2.gz RHZRHWMZJYRPGX-UHFFFAOYSA-N 0 0 195.609 1.687 10 0 ADAERN CSc1nc(C)c(C=O)c(O)n1 238435648 573546337 /nfs/dbraw/zinc/54/63/37/573546337.db2.gz BFRBZGHADWDLCV-UHFFFAOYSA-N 0 0 184.220 1.025 10 0 ADAERN O=Cc1nc(Cl)c2cccc(F)n12 107367015 573546346 /nfs/dbraw/zinc/54/63/46/573546346.db2.gz CNYZZSCDBFUABY-UHFFFAOYSA-N 0 0 198.584 1.939 10 0 ADAERN CN(O)CCC1CCSCC1 257825045 573546349 /nfs/dbraw/zinc/54/63/49/573546349.db2.gz GYSFJXQECVOMGN-UHFFFAOYSA-N 0 0 175.297 1.841 10 0 ADAERN OC[C@]1(O)CCCc2cc(F)ccc21 257824813 573546356 /nfs/dbraw/zinc/54/63/56/573546356.db2.gz GZLQYZIFJMIKFQ-LLVKDONJSA-N 0 0 196.221 1.342 10 0 ADAERN CC(C)Cc1cnn(C)c1[C@@H](C)[NH3+] 257824986 573546366 /nfs/dbraw/zinc/54/63/66/573546366.db2.gz GMIDYTHFIHMGSN-MRVPVSSYSA-N 0 0 181.283 1.638 10 0 ADAERN C[C@H](CCO)c1ccccn1 238436100 573546374 /nfs/dbraw/zinc/54/63/74/573546374.db2.gz RHHHFZZUHVYAFL-MRVPVSSYSA-N 0 0 151.209 1.568 10 0 ADAERN COC(=O)[C@@](C)(F)c1ccc(O)cc1 257825336 573546383 /nfs/dbraw/zinc/54/63/83/573546383.db2.gz HEKBWZZZBZPOHI-JTQLQIEISA-N 0 0 198.193 1.750 10 0 ADAERN O=Cc1nc(Cl)c2cc(F)ccn12 107367021 573546386 /nfs/dbraw/zinc/54/63/86/573546386.db2.gz GYKPYSWOETVXKI-UHFFFAOYSA-N 0 0 198.584 1.939 10 0 ADAERN Cc1ccc(C2=C[C@@H](O)CC2)cn1 83548945 573546387 /nfs/dbraw/zinc/54/63/87/573546387.db2.gz YVCLKTUBPCTIOM-NSHDSACASA-N 0 0 175.231 1.928 10 0 ADAERN CC(=O)c1ncc2cc(F)ccc2n1 257825245 573546391 /nfs/dbraw/zinc/54/63/91/573546391.db2.gz HBNACVQBKBCANM-UHFFFAOYSA-N 0 0 190.177 1.972 10 0 ADAERN Cc1cccnc1[C@H](C)CCO 238436165 573546400 /nfs/dbraw/zinc/54/64/00/573546400.db2.gz KKMNOQFYHYCEQD-SECBINFHSA-N 0 0 165.236 1.876 10 0 ADAERN CC(C)(C)OC(=O)[C@@H](O)c1ccco1 308626686 573546405 /nfs/dbraw/zinc/54/64/05/573546405.db2.gz NBSLLDGRWFGXSC-QMMMGPOBSA-N 0 0 198.218 1.655 10 0 ADAERN CCn1cc(CC2=C[C@H](O)CC2)cn1 83548987 573546414 /nfs/dbraw/zinc/54/64/14/573546414.db2.gz GDDWQRLXIGYQKW-LLVKDONJSA-N 0 0 192.262 1.527 10 0 ADAERN C[C@H](O)CC[C@](C)(Cl)N=O 238435670 573546427 /nfs/dbraw/zinc/54/64/27/573546427.db2.gz KJAYSEKUFYZCQL-NTSWFWBYSA-N 0 0 165.620 1.869 10 0 ADAERN COc1cc(O)ccc1[C@@](C)(F)C[NH3+] 257824960 573546447 /nfs/dbraw/zinc/54/64/47/573546447.db2.gz GLIJSCOKRIDQHJ-JTQLQIEISA-N 0 0 199.225 1.544 10 0 ADAERN COCCCC1=C[C@H](O)CC1 83548879 573546461 /nfs/dbraw/zinc/54/64/61/573546461.db2.gz FGVJZDVEPUULEF-SECBINFHSA-N 0 0 156.225 1.494 10 0 ADAERN CSc1nc(C)nc2[nH]c(C)nc12 238436425 573546465 /nfs/dbraw/zinc/54/64/65/573546465.db2.gz GXRKQYKUOIGEMZ-UHFFFAOYSA-N 0 0 194.263 1.692 10 0 ADAERN CC(=O)[C@@]1(C)C(=O)CC[C@H]1C 238435867 573546477 /nfs/dbraw/zinc/54/64/77/573546477.db2.gz BDEOLTRMMPSUDX-MUWHJKNJSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C(=O)[O-])C1 86658201 573546478 /nfs/dbraw/zinc/54/64/78/573546478.db2.gz IEGGOBAYJZGCKC-LPEHRKFASA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H](CO)[C@@H]1CC[C@@H](C)[C@@]1(C)O 238436334 573546482 /nfs/dbraw/zinc/54/64/82/573546482.db2.gz LOQVGVKSEPSOSM-DOLQZWNJSA-N 0 0 172.268 1.412 10 0 ADAERN CO[C@H](C)CNc1ccc(F)cc1N 223668109 573546483 /nfs/dbraw/zinc/54/64/83/573546483.db2.gz YAIIDUFDQGFUPS-SSDOTTSWSA-N 0 0 198.241 1.855 10 0 ADAERN C/C=C\[C@H](O)CC(=O)C[C@@H](O)/C=C/C 308626721 573546511 /nfs/dbraw/zinc/54/65/11/573546511.db2.gz NHJNMPHMSCZKDO-LWGBVQFHSA-N 0 0 198.262 1.210 10 0 ADAERN C[C@@H]1C[C@@H]1c1cnc(CN)o1 83554434 573546521 /nfs/dbraw/zinc/54/65/21/573546521.db2.gz GVBHPTLLJVPPGQ-RITPCOANSA-N 0 0 152.197 1.257 10 0 ADAERN C[C@H](CCO)n1nnc2ccccc21 238436270 573546547 /nfs/dbraw/zinc/54/65/47/573546547.db2.gz NLLPOJYHQQIVNB-MRVPVSSYSA-N 0 0 191.234 1.375 10 0 ADAERN C/C=C\[C@@H](O)CC(=O)C[C@@H](O)/C=C\C 308626720 573546551 /nfs/dbraw/zinc/54/65/51/573546551.db2.gz NHJNMPHMSCZKDO-LNYFIEMMSA-N 0 0 198.262 1.210 10 0 ADAERN CC(=O)C1=C(O)[C@H](C)CC1 238436087 573546554 /nfs/dbraw/zinc/54/65/54/573546554.db2.gz RLSQJVRISZLEMR-VDTYLAMSSA-N 0 0 140.182 1.191 10 0 ADAERN COC[C@H]1CCc2ccc(O)cc2N1 257824765 573546565 /nfs/dbraw/zinc/54/65/65/573546565.db2.gz GYDUFAAUTFJHSM-SECBINFHSA-N 0 0 193.246 1.765 10 0 ADAERN CCn1ccnc1C1=C[C@@H](O)CC1 83549026 573546569 /nfs/dbraw/zinc/54/65/69/573546569.db2.gz GZZYIOGSVIHTAJ-VIFPVBQESA-N 0 0 178.235 1.441 10 0 ADAERN COc1cc(O)ccc1[C@](C)(F)C[NH3+] 257824961 573546586 /nfs/dbraw/zinc/54/65/86/573546586.db2.gz GLIJSCOKRIDQHJ-SNVBAGLBSA-N 0 0 199.225 1.544 10 0 ADAERN CCOC(=O)/C=C\[C@H](O)c1ccco1 308627339 573546596 /nfs/dbraw/zinc/54/65/96/573546596.db2.gz OHZAPYORVDPRBT-SLGIHZDVSA-N 0 0 196.202 1.432 10 0 ADAERN NCc1ncc(C2CCC2)o1 83554496 573546604 /nfs/dbraw/zinc/54/66/04/573546604.db2.gz GLJVWCVQAXBUQD-UHFFFAOYSA-N 0 0 152.197 1.401 10 0 ADAERN CC(C)c1cnc(CCO)o1 259118405 573546625 /nfs/dbraw/zinc/54/66/25/573546625.db2.gz FPSIRULRBZZBMA-UHFFFAOYSA-N 0 0 155.197 1.333 10 0 ADAERN NCc1ncc(C2CCOCC2)o1 83554448 573546638 /nfs/dbraw/zinc/54/66/38/573546638.db2.gz MFDNCCAFFCROOE-UHFFFAOYSA-N 0 0 182.223 1.027 10 0 ADAERN Cc1cccc2c1N1[C@@H](CC[C@@H]1[NH3+])C2 257825272 573546640 /nfs/dbraw/zinc/54/66/40/573546640.db2.gz HCUSEHQEYGTDQU-WDEREUQCSA-N 0 0 188.274 1.805 10 0 ADAERN COC(=O)[C@@]1(C(C)=O)CCC[C@@H]1C 86658859 573546676 /nfs/dbraw/zinc/54/66/76/573546676.db2.gz TULICQKZPAERFG-XVKPBYJWSA-N 0 0 184.235 1.555 10 0 ADAERN C[C@H](NCc1ccon1)c1ccon1 308627256 573546678 /nfs/dbraw/zinc/54/66/78/573546678.db2.gz XENKVMBTYPKVLI-ZETCQYMHSA-N 0 0 193.206 1.513 10 0 ADAERN COc1[nH]ccc1[C@H](N)C(F)(F)F 238436654 573546680 /nfs/dbraw/zinc/54/66/80/573546680.db2.gz XBUZQWAGALOZJP-YFKPBYRVSA-N 0 0 194.156 1.585 10 0 ADAERN CO[C@]1(CO)CCc2ccccc21 257824426 573546694 /nfs/dbraw/zinc/54/66/94/573546694.db2.gz GTJNCBORRYMUEI-NSHDSACASA-N 0 0 178.231 1.467 10 0 ADAERN Cc1cccc2c1N1[C@H]([NH3+])CC[C@H]1C2 257825271 573546707 /nfs/dbraw/zinc/54/67/07/573546707.db2.gz HCUSEHQEYGTDQU-QWRGUYRKSA-N 0 0 188.274 1.805 10 0 ADAERN O[C@H]1C=C(C[C@H]2CCCO2)CC1 83548591 573546716 /nfs/dbraw/zinc/54/67/16/573546716.db2.gz CAXAGGRLQSBVQZ-NXEZZACHSA-N 0 0 168.236 1.637 10 0 ADAERN O=C([O-])Cc1ncc2c(F)cccn12 107358336 573546718 /nfs/dbraw/zinc/54/67/18/573546718.db2.gz WUOSSZYTGVFJBB-UHFFFAOYSA-N 0 0 194.165 1.101 10 0 ADAERN C[C@@H]1C(=O)NC[C@@H]1[C@@]1(C)C[C@@H]1C 714709038 573546719 /nfs/dbraw/zinc/54/67/19/573546719.db2.gz LOEYJXKYFJHJKJ-GHCJXIJMSA-N 0 0 167.252 1.415 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@H]1CCCOC1 257824864 573546723 /nfs/dbraw/zinc/54/67/23/573546723.db2.gz HBMSAJIQZDVCMB-HTQZYQBOSA-N 0 0 194.221 1.819 10 0 ADAERN OCc1n[nH]cc1-c1ccccc1F 257824963 573546741 /nfs/dbraw/zinc/54/67/41/573546741.db2.gz GLIQVLSBPZYDMO-UHFFFAOYSA-N 0 0 192.193 1.708 10 0 ADAERN CC1=C[C@H](O)CC1 83548739 573546742 /nfs/dbraw/zinc/54/67/42/573546742.db2.gz ZSIRHTQYODRYMQ-ZCFIWIBFSA-N 0 0 98.145 1.087 10 0 ADAERN Cc1ccc(C2=C[C@H](O)CC2)cn1 83548942 573546746 /nfs/dbraw/zinc/54/67/46/573546746.db2.gz YVCLKTUBPCTIOM-LLVKDONJSA-N 0 0 175.231 1.928 10 0 ADAERN C[C@H](CCO)[C@H]1CCC[C@@H]1O 238435717 573546774 /nfs/dbraw/zinc/54/67/74/573546774.db2.gz CTPNCYYENCXTJC-HLTSFMKQSA-N 0 0 158.241 1.166 10 0 ADAERN CCCSC1(C(=O)OC)CC1 259119025 573546778 /nfs/dbraw/zinc/54/67/78/573546778.db2.gz BTPXJUBYHZGKQM-UHFFFAOYSA-N 0 0 174.265 1.835 10 0 ADAERN CO/C=C/C[C@@H](O)C(C)C 238435712 573546788 /nfs/dbraw/zinc/54/67/88/573546788.db2.gz GREMQSHGDDGWSI-YZCDNWJKSA-N 0 0 144.214 1.554 10 0 ADAERN Cc1nc(=O)[nH]c2c1CCCCC2 257825043 573546793 /nfs/dbraw/zinc/54/67/93/573546793.db2.gz GYNZADYBTMZDPW-UHFFFAOYSA-N 0 0 178.235 1.760 10 0 ADAERN O=C([O-])c1cnc([C@@H]2CCCC[NH2+]2)o1 107363801 573546798 /nfs/dbraw/zinc/54/67/98/573546798.db2.gz KCWPINADTCNIBO-LURJTMIESA-N 0 0 196.206 1.187 10 0 ADAERN C[C@@]12CCC[C@@H](C1=O)[C@@](C)(C(N)=O)C2 238436504 573546816 /nfs/dbraw/zinc/54/68/16/573546816.db2.gz WMKCYRAQZGLQOK-SWPVVBRQSA-N 0 0 195.262 1.257 10 0 ADAERN CCC[C@@H](O)/C=C1\OC(=O)C=C1OC 308618979 573546839 /nfs/dbraw/zinc/54/68/39/573546839.db2.gz CHRODHDWKGRDDG-WVXOVRIESA-N 0 0 198.218 1.118 10 0 ADAERN C[C@H]1C(=O)NC12CCCCC2 238436259 573546842 /nfs/dbraw/zinc/54/68/42/573546842.db2.gz KLRYPJGCWGVEJY-ZETCQYMHSA-N 0 0 153.225 1.455 10 0 ADAERN C[C@@H](O)[C@@H]1OC(C)(C)C1(C)C 238435704 573546859 /nfs/dbraw/zinc/54/68/59/573546859.db2.gz DSOBMBRSUBFJCD-RQJHMYQMSA-N 0 0 158.241 1.571 10 0 ADAERN COC(=O)[C@H](N)C[C@@H](C)CC(F)F 688725248 573546871 /nfs/dbraw/zinc/54/68/71/573546871.db2.gz FJVBOQNMGAUDLC-PHDIDXHHSA-N 0 0 195.209 1.168 10 0 ADAERN C[C@H](CO)[C@@H]1C(=O)CC[C@@H]1C 238437970 573550198 /nfs/dbraw/zinc/55/01/98/573550198.db2.gz URNIVDKDFKSIJD-LKEWCRSYSA-N 0 0 156.225 1.230 10 0 ADAERN C[C@@H](c1c[nH]c(C(=O)[O-])c1)[NH+](C)C 257825558 573550205 /nfs/dbraw/zinc/55/02/05/573550205.db2.gz HDHNHLYNJGNECD-LURJTMIESA-N 0 0 182.223 1.336 10 0 ADAERN CSc1nc(N)c(N)c(=S)[nH]1 238437798 573550215 /nfs/dbraw/zinc/55/02/15/573550215.db2.gz ILLJTFCRFADAQF-UHFFFAOYSA-N 0 0 188.281 1.025 10 0 ADAERN C=COCCCNCc1nnc(C)o1 393667205 573550259 /nfs/dbraw/zinc/55/02/59/573550259.db2.gz MZDKVFQHDYFWGL-UHFFFAOYSA-N 0 0 197.238 1.018 10 0 ADAERN OCCCCNc1cc[nH]c1 259118038 573549554 /nfs/dbraw/zinc/54/95/54/573549554.db2.gz VSZIUDOSIMSFDP-UHFFFAOYSA-N 0 0 154.213 1.199 10 0 ADAERN C[C@@H](CC(=O)[O-])[C@@H]([NH3+])c1cccs1 259503909 573549567 /nfs/dbraw/zinc/54/95/67/573549567.db2.gz USISUVFSHKHLCV-IMTBSYHQSA-N 0 0 199.275 1.859 10 0 ADAERN C[C@H]1COC(=O)N1c1ccc(O)cc1 257826212 573549582 /nfs/dbraw/zinc/54/95/82/573549582.db2.gz HLHBSXLQKXTJKC-ZETCQYMHSA-N 0 0 193.202 1.737 10 0 ADAERN CCC[C@]1(COC)CO[C@H](C)OC1 393534243 573549599 /nfs/dbraw/zinc/54/95/99/573549599.db2.gz GSOKQVFYZFPRHY-MGCOHNPYSA-N 0 0 188.267 1.812 10 0 ADAERN C[C@H](O)[C@H](F)[C@H]1CCC[N@H+](C)C1 257826001 573549625 /nfs/dbraw/zinc/54/96/25/573549625.db2.gz HIRGQSWDOYEROY-CIUDSAMLSA-N 0 0 175.247 1.047 10 0 ADAERN COC[C@H](C)C1=C[C@@H](O)CC1 83549132 573549630 /nfs/dbraw/zinc/54/96/30/573549630.db2.gz UUQKXQHSGNEZEY-CBAPKCEASA-N 0 0 156.225 1.350 10 0 ADAERN CCn1nccc1C1=C[C@@H](O)CC1 83548700 573549633 /nfs/dbraw/zinc/54/96/33/573549633.db2.gz MJIZTPPYHBLKBL-VIFPVBQESA-N 0 0 178.235 1.441 10 0 ADAERN C[C@H](CO)[C@H](O)c1ccccc1O 238437405 573549638 /nfs/dbraw/zinc/54/96/38/573549638.db2.gz YYWLTJHRIUJEDE-XCBNKYQSSA-N 0 0 182.219 1.054 10 0 ADAERN CC(=O)c1ccc(F)c2c1OCOC2 107363550 573549641 /nfs/dbraw/zinc/54/96/41/573549641.db2.gz XYMGXMJZPASSPY-UHFFFAOYSA-N 0 0 196.177 1.895 10 0 ADAERN CC(C)COC(=O)C[C@@H](O)C(C)C 78907976 573549700 /nfs/dbraw/zinc/54/97/00/573549700.db2.gz LXHOYUDLTYKMEH-SECBINFHSA-N 0 0 188.267 1.593 10 0 ADAERN Nc1c(O)cccc1[C@@H](O)C1CCC1 257826239 573549709 /nfs/dbraw/zinc/54/97/09/573549709.db2.gz HMTNEWHUSSDHGO-NSHDSACASA-N 0 0 193.246 1.808 10 0 ADAERN CCN(CC)C(=O)/C=C/[C@H](C)[C@@H](C)O 308629477 573549722 /nfs/dbraw/zinc/54/97/22/573549722.db2.gz RWJLLGPHFKOCKT-ACMYFRETSA-N 0 0 199.294 1.428 10 0 ADAERN O[C@H]1C=C(C2CCOCC2)CC1 83548613 573549739 /nfs/dbraw/zinc/54/97/39/573549739.db2.gz GWONHGQPVCGKKR-SNVBAGLBSA-N 0 0 168.236 1.494 10 0 ADAERN O=C1NOC[C@H](c2ccc(O)cc2)O1 257825776 573549740 /nfs/dbraw/zinc/54/97/40/573549740.db2.gz HHNUGTVCTWZXAB-MRVPVSSYSA-N 0 0 195.174 1.105 10 0 ADAERN Nc1ccc2cnc(Cl)nc2c1 257826043 573549757 /nfs/dbraw/zinc/54/97/57/573549757.db2.gz HKVSGKHHNSMEBV-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN C[C@@H]1C=C2CCC(=O)N2CC1 238437604 573549789 /nfs/dbraw/zinc/54/97/89/573549789.db2.gz SDJIFHXUQBGHJH-ZETCQYMHSA-N 0 0 151.209 1.533 10 0 ADAERN C[C@H](CO)[C@]1(O)CCCC1(C)C 238438117 573549796 /nfs/dbraw/zinc/54/97/96/573549796.db2.gz GJJNJTXNKKTCHK-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@@]12CCC[C@@H](CC[C@@H]1O)C2=O 238436790 573549808 /nfs/dbraw/zinc/54/98/08/573549808.db2.gz UMAZIFVIXQQWQH-OYNCUSHFSA-N 0 0 168.236 1.517 10 0 ADAERN C[C@H]1CC=C(CC(N)=O)CC1 238437981 573549814 /nfs/dbraw/zinc/54/98/14/573549814.db2.gz UUNKIIDUPKHMDB-ZETCQYMHSA-N 0 0 153.225 1.608 10 0 ADAERN CC(=O)[C@@H](C)[C@H]1COC(C)(C)O1 238436920 573549826 /nfs/dbraw/zinc/54/98/26/573549826.db2.gz GADYNLVOKHZYRI-HTRCEHHLSA-N 0 0 172.224 1.363 10 0 ADAERN CC(C)(CNC(N)=O)c1cccnc1 258769213 573549838 /nfs/dbraw/zinc/54/98/38/573549838.db2.gz WWULPAVONTWPBB-UHFFFAOYSA-N 0 0 193.250 1.028 10 0 ADAERN CCOC(=O)C[C@H]1CCCO[C@H]1C 259502052 573549842 /nfs/dbraw/zinc/54/98/42/573549842.db2.gz AUVQWBACORGHJM-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN CC[C@H](C(=O)[O-])[C@H]([NH3+])C1CCC1 259505658 573549889 /nfs/dbraw/zinc/54/98/89/573549889.db2.gz RECVPUDSHSTPCO-JGVFFNPUSA-N 0 0 171.240 1.225 10 0 ADAERN CCCC1=C[C@@H](O)CC1 83548573 573549905 /nfs/dbraw/zinc/54/99/05/573549905.db2.gz PNCFRHZEQDHZBY-QMMMGPOBSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@H]([NH3+])c1nccc2ncccc12 238437152 573549908 /nfs/dbraw/zinc/54/99/08/573549908.db2.gz RDWBOZHNOTUPQB-ZETCQYMHSA-N 0 0 173.219 1.650 10 0 ADAERN C[C@@]12CCC[C@@H](C[C@@H](O)C1)O2 238436834 573549942 /nfs/dbraw/zinc/54/99/42/573549942.db2.gz JBMJKEAMCSOIHE-HRDYMLBCSA-N 0 0 156.225 1.469 10 0 ADAERN CCOCC[NH2+]Cc1cc(C)[nH]c1C 308629521 573549953 /nfs/dbraw/zinc/54/99/53/573549953.db2.gz YILXCSHWDAWFQK-UHFFFAOYSA-N 0 0 196.294 1.758 10 0 ADAERN Nc1c(O)cccc1[C@H](O)C1CCC1 257826237 573549960 /nfs/dbraw/zinc/54/99/60/573549960.db2.gz HMTNEWHUSSDHGO-LLVKDONJSA-N 0 0 193.246 1.808 10 0 ADAERN COC(=O)[C@@H]1C[C@]12CCCC[C@H]2O 257826028 573549994 /nfs/dbraw/zinc/54/99/94/573549994.db2.gz HJTQAUYDXDVFRL-QXFUBDJGSA-N 0 0 184.235 1.101 10 0 ADAERN C[C@H](O)CC(=O)C[C@@H]1[C@H]2C=C[C@@H]1CC2 308627905 573550025 /nfs/dbraw/zinc/55/00/25/573550025.db2.gz PMAWUGKYPPQHGH-UXCLJVHYSA-N 0 0 194.274 1.929 10 0 ADAERN C/C=C\[C@@H](O)[C@@](C)(O)c1ccccc1 308628357 573550055 /nfs/dbraw/zinc/55/00/55/573550055.db2.gz QGNZEXZMVWDQDU-NGVDDBCYSA-N 0 0 192.258 1.831 10 0 ADAERN CCCn1nncc1Cl 259121761 573550084 /nfs/dbraw/zinc/55/00/84/573550084.db2.gz FSRREBTZBZPJMJ-UHFFFAOYSA-N 0 0 145.593 1.342 10 0 ADAERN CCN(C(N)=O)c1ccccc1OC 33648928 573550106 /nfs/dbraw/zinc/55/01/06/573550106.db2.gz FOYYJZHQLVFUME-UHFFFAOYSA-N 0 0 194.234 1.600 10 0 ADAERN O=Cc1c(Cl)ccc2c1OCCO2 257826268 573550109 /nfs/dbraw/zinc/55/01/09/573550109.db2.gz FTAZMOFVDSPYFT-UHFFFAOYSA-N 0 0 198.605 1.924 10 0 ADAERN CCc1nc(CN[C@@H](C)C2CC2)no1 308627998 573550110 /nfs/dbraw/zinc/55/01/10/573550110.db2.gz XQHXBILNCFBOTC-ZETCQYMHSA-N 0 0 195.266 1.520 10 0 ADAERN Cc1ccncc1-c1nccc(F)n1 689969910 573550111 /nfs/dbraw/zinc/55/01/11/573550111.db2.gz HSHXTMWYFBYBQD-UHFFFAOYSA-N 0 0 189.193 1.986 10 0 ADAERN N[C@@H](c1cccc2c1OCC2)C(F)F 236310822 573550124 /nfs/dbraw/zinc/55/01/24/573550124.db2.gz DFBZBMCMDOKABK-QMMMGPOBSA-N 0 0 199.200 1.886 10 0 ADAERN CO[C@H](C)Cc1ccccc1CO 259501800 573550131 /nfs/dbraw/zinc/55/01/31/573550131.db2.gz RAVJXZKDDSHQRT-SECBINFHSA-N 0 0 180.247 1.756 10 0 ADAERN CCOC(=O)C[C@@H]1CCCO[C@@H]1C 259502050 573550137 /nfs/dbraw/zinc/55/01/37/573550137.db2.gz AUVQWBACORGHJM-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN C/C=C1\C=C(C)C2(CC2)[C@](C)(O)[C@@H]1O 308629552 573550147 /nfs/dbraw/zinc/55/01/47/573550147.db2.gz SBQQUUWVEIZPIM-MJMLHWTPSA-N 0 0 194.274 1.785 10 0 ADAERN CCN1C[C@H](CON)c2ccccc21 258063320 573550177 /nfs/dbraw/zinc/55/01/77/573550177.db2.gz GIKXBJDXDCKFPG-SECBINFHSA-N 0 0 192.262 1.500 10 0 ADAERN CC[NH+](CC)C[C@@H]1C[C@@H]1C(=O)[O-] 258771351 573554712 /nfs/dbraw/zinc/55/47/12/573554712.db2.gz YVJDNXVDTIOCQZ-YUMQZZPRSA-N 0 0 171.240 1.049 10 0 ADAERN C[C@@H]1CCC(NC=O)CC[C@H]1C 238438440 573554714 /nfs/dbraw/zinc/55/47/14/573554714.db2.gz NWDRVGHPQDFINW-RKDXNWHRSA-N 0 0 169.268 1.947 10 0 ADAERN COCc1nc(C(C)=O)c(C)[nH]1 197041609 573554722 /nfs/dbraw/zinc/55/47/22/573554722.db2.gz MXQLZLIEUSHAHM-UHFFFAOYSA-N 0 0 168.196 1.067 10 0 ADAERN C=C=C(C)C[C@H]1COC(=O)N1 223137542 573554723 /nfs/dbraw/zinc/55/47/23/573554723.db2.gz OGPANICZEHKUNX-ZETCQYMHSA-N 0 0 153.181 1.216 10 0 ADAERN CCOC(=O)OC/C(C)=C(/C)CO 393536520 573554733 /nfs/dbraw/zinc/55/47/33/573554733.db2.gz KODRTTHQSNTMQX-FPLPWBNLSA-N 0 0 188.223 1.488 10 0 ADAERN C[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C(N)=O)C2 238438766 573554739 /nfs/dbraw/zinc/55/47/39/573554739.db2.gz GXFYMLIASZNCKN-VAOFZXAKSA-N 0 0 181.279 1.934 10 0 ADAERN C[C@@H]1CC[C@@H](C)C12OCCO2 238438953 573554781 /nfs/dbraw/zinc/55/47/81/573554781.db2.gz QOQHXFUITADTLL-HTQZYQBOSA-N 0 0 156.225 1.796 10 0 ADAERN C[C@@H](N)c1ncc(-c2ccnn2C)o1 83554554 573554795 /nfs/dbraw/zinc/55/47/95/573554795.db2.gz OACSNUJYVIDRHT-ZCFIWIBFSA-N 0 0 192.222 1.095 10 0 ADAERN CCCC(=O)CNC(=O)CC(C)C 716735687 573554801 /nfs/dbraw/zinc/55/48/01/573554801.db2.gz HCXWZYKIYVAPPF-UHFFFAOYSA-N 0 0 185.267 1.518 10 0 ADAERN C[C@@H](N)c1ncc(-c2cnn(C)c2)o1 83554702 573554808 /nfs/dbraw/zinc/55/48/08/573554808.db2.gz GCJIBZWZCISLRI-ZCFIWIBFSA-N 0 0 192.222 1.095 10 0 ADAERN C=Cc1ccc([C@H](C)O)nc1 238439108 573554811 /nfs/dbraw/zinc/55/48/11/573554811.db2.gz SDSWJGRCPKQNGT-ZETCQYMHSA-N 0 0 149.193 1.778 10 0 ADAERN COc1ccc([C@@H](C)CO)cc1O 257830046 573554823 /nfs/dbraw/zinc/55/48/23/573554823.db2.gz JDRFOMHRTJDNHN-ZETCQYMHSA-N 0 0 182.219 1.497 10 0 ADAERN CC[NH+](CC)C[C@H]1C[C@H]1C(=O)[O-] 258771345 573554830 /nfs/dbraw/zinc/55/48/30/573554830.db2.gz YVJDNXVDTIOCQZ-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN CCCN1Cc2cncnc2C1 585332079 573554845 /nfs/dbraw/zinc/55/48/45/573554845.db2.gz FPLSAWAMUKZSPZ-UHFFFAOYSA-N 0 0 163.224 1.202 10 0 ADAERN C/C=C\CCNc1ccncc1C#N 389349186 573554914 /nfs/dbraw/zinc/55/49/14/573554914.db2.gz NGYWUOLSOCCPHU-IHWYPQMZSA-N 0 0 187.246 1.753 10 0 ADAERN Cc1ccc(C)n1N[C@@H]1COC[C@H]1C 687961118 573554932 /nfs/dbraw/zinc/55/49/32/573554932.db2.gz ANYCSIOVLLUZFY-LDYMZIIASA-N 0 0 194.278 1.683 10 0 ADAERN C[C@H]1CCN[C@@H](c2ccccc2)N1 238438368 573554939 /nfs/dbraw/zinc/55/49/39/573554939.db2.gz HHEGNOULRWVFSD-GXSJLCMTSA-N 0 0 176.263 1.657 10 0 ADAERN CCOC(=O)c1nc(C2CCC2)c[nH]1 259122604 573554951 /nfs/dbraw/zinc/55/49/51/573554951.db2.gz QEMJEPAWIUQSMW-UHFFFAOYSA-N 0 0 194.234 1.854 10 0 ADAERN Cc1ccc2c(c1N)CCO2 75396885 573554955 /nfs/dbraw/zinc/55/49/55/573554955.db2.gz WNUJTUDCKPVLFD-UHFFFAOYSA-N 0 0 149.193 1.512 10 0 ADAERN C[C@H](N)c1ncc(-c2ccoc2)o1 83554621 573554960 /nfs/dbraw/zinc/55/49/60/573554960.db2.gz IWBMRLOFWXDRQA-LURJTMIESA-N 0 0 178.191 1.954 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2OCCC[C@H]2C1 259504516 573554972 /nfs/dbraw/zinc/55/49/72/573554972.db2.gz BEMSKAIMKDHFIV-IVZWLZJFSA-N 0 0 198.262 1.755 10 0 ADAERN C[C@@H](N)c1ncc([C@H]2CCCO2)o1 83554680 573554973 /nfs/dbraw/zinc/55/49/73/573554973.db2.gz NVUMKRUDGLYYOO-RNFRBKRXSA-N 0 0 182.223 1.546 10 0 ADAERN Nc1ccccc1[C@H](O)[C@@H]1CCCO1 257830160 573554975 /nfs/dbraw/zinc/55/49/75/573554975.db2.gz IXPXQKYDDHVKRW-QWRGUYRKSA-N 0 0 193.246 1.481 10 0 ADAERN CCn1[nH]c(=O)c2cccc(O)c21 257826442 573555011 /nfs/dbraw/zinc/55/50/11/573555011.db2.gz HMHYVSMSRKESSM-UHFFFAOYSA-N 0 0 178.191 1.055 10 0 ADAERN Cc1ccc(CNO)c(N(C)C)c1 259506861 573555012 /nfs/dbraw/zinc/55/50/12/573555012.db2.gz RKJNDYFGLDFWNL-UHFFFAOYSA-N 0 0 180.251 1.540 10 0 ADAERN C[C@@H]1CCCC[C@@H]1[C@H](O)CO 78640362 573555031 /nfs/dbraw/zinc/55/50/31/573555031.db2.gz KKTZWLUEJGFWGZ-HRDYMLBCSA-N 0 0 158.241 1.166 10 0 ADAERN CNCc1ncc([C@@H]2CCCCO2)o1 83555094 573555063 /nfs/dbraw/zinc/55/50/63/573555063.db2.gz XOZDBUFQPSEESR-QMMMGPOBSA-N 0 0 196.250 1.636 10 0 ADAERN N#CN1C[C@@H](C2CCCCC2)NC1=O 259504512 573555067 /nfs/dbraw/zinc/55/50/67/573555067.db2.gz QMTUIJPDMCOQHJ-VIFPVBQESA-N 0 0 193.250 1.442 10 0 ADAERN OCC[C@H]1CCc2cc(F)ccc2N1 257830147 573555069 /nfs/dbraw/zinc/55/50/69/573555069.db2.gz IXMNSBFGUDVKCH-SNVBAGLBSA-N 0 0 195.237 1.935 10 0 ADAERN Nc1ncnc2oc(C3CC3)cc12 257826450 573555091 /nfs/dbraw/zinc/55/50/91/573555091.db2.gz HMNRCTMDRUSEPM-UHFFFAOYSA-N 0 0 175.191 1.682 10 0 ADAERN C[C@H]1C[C@H](CCO)C(C)(C)C1=O 238438633 573555099 /nfs/dbraw/zinc/55/50/99/573555099.db2.gz CAFOGXXSCTYYPT-YUMQZZPRSA-N 0 0 170.252 1.620 10 0 ADAERN CC(=O)[C@H]1Cc2cc(O)ccc2S1 258059574 573555110 /nfs/dbraw/zinc/55/51/10/573555110.db2.gz LRQXYXTYCHKFFI-SNVBAGLBSA-N 0 0 194.255 1.998 10 0 ADAERN C[NH2+][C@@H](c1ccc[nH]1)[C@@H](C)CC(=O)[O-] 259504783 573555111 /nfs/dbraw/zinc/55/51/11/573555111.db2.gz SGMGOXDQRCRLCV-OIBJUYFYSA-N 0 0 196.250 1.386 10 0 ADAERN CC(=O)c1coc(C[C@H]2CCOC2)n1 258060216 573555114 /nfs/dbraw/zinc/55/51/14/573555114.db2.gz LJOUIGFNEDZZCE-MRVPVSSYSA-N 0 0 195.218 1.456 10 0 ADAERN C[NH2+][C@@H](C1CCC1)C(C)(C)C(=O)[O-] 259507897 573555120 /nfs/dbraw/zinc/55/51/20/573555120.db2.gz SNBMREPWIGWEJQ-QMMMGPOBSA-N 0 0 185.267 1.485 10 0 ADAERN CNCc1ncc([C@@H]2C[C@@H]2C)o1 83555133 573555130 /nfs/dbraw/zinc/55/51/30/573555130.db2.gz XHFZJBFLQPJVQE-NKWVEPMBSA-N 0 0 166.224 1.517 10 0 ADAERN C[C@H](CO)c1cc2ccccn2n1 238439013 573555133 /nfs/dbraw/zinc/55/51/33/573555133.db2.gz NUBGGNAXHAENRG-MRVPVSSYSA-N 0 0 176.219 1.430 10 0 ADAERN CCCc1cnc([C@@H](C)N)o1 83554574 573555145 /nfs/dbraw/zinc/55/51/45/573555145.db2.gz XQTZHAAHGVVLOH-ZCFIWIBFSA-N 0 0 154.213 1.647 10 0 ADAERN O=C(S)NCc1cc[nH]c1 258770980 573555153 /nfs/dbraw/zinc/55/51/53/573555153.db2.gz XGAXDLCUVNJJKF-UHFFFAOYSA-N 0 0 156.210 1.154 10 0 ADAERN CCCC(=O)N1CCC(C)(C)[C@H](O)C1 259122258 573555158 /nfs/dbraw/zinc/55/51/58/573555158.db2.gz LJIZCUNPUFVCIS-SECBINFHSA-N 0 0 199.294 1.406 10 0 ADAERN CC(C)CC[NH2+]CC[C@H](C)C(=O)[O-] 258771257 573555163 /nfs/dbraw/zinc/55/51/63/573555163.db2.gz YUFYNKJQJVIIJU-VIFPVBQESA-N 0 0 187.283 1.733 10 0 ADAERN C[C@H]1C(C)(C)CC[C@@]1(C)C(N)=O 238438564 573555181 /nfs/dbraw/zinc/55/51/81/573555181.db2.gz OYYVEJSUBPJURV-OIBJUYFYSA-N 0 0 169.268 1.934 10 0 ADAERN CC[C@@H](C)[C@H](CO)Nc1nnc(C)o1 308630977 573555192 /nfs/dbraw/zinc/55/51/92/573555192.db2.gz YYOCOXMRBNAQAG-SVRRBLITSA-N 0 0 199.254 1.197 10 0 ADAERN C[C@]12Cc3ccccc3[C@H](C1)NC2=O 238439043 573555226 /nfs/dbraw/zinc/55/52/26/573555226.db2.gz VJWIZYFBDCXKEV-JQWIXIFHSA-N 0 0 187.242 1.810 10 0 ADAERN CC(=O)c1n[nH]nc1C(C)C 75395320 573555230 /nfs/dbraw/zinc/55/52/30/573555230.db2.gz RHUXLTKXSOCOCX-UHFFFAOYSA-N 0 0 153.185 1.131 10 0 ADAERN C[C@H]1CNC(=O)N(C2CCCCC2)C1 238439139 573555237 /nfs/dbraw/zinc/55/52/37/573555237.db2.gz WCQNECBYMBTWNN-VIFPVBQESA-N 0 0 196.294 1.980 10 0 ADAERN C[C@@H](O)c1cccc2c1ncn2C 258060344 573555261 /nfs/dbraw/zinc/55/52/61/573555261.db2.gz SNHSOBWSPLMLLQ-SSDOTTSWSA-N 0 0 176.219 1.627 10 0 ADAERN COc1ccc(N)c2c1CCO2 75396882 573555279 /nfs/dbraw/zinc/55/52/79/573555279.db2.gz PMKNQUSGJAGDFE-UHFFFAOYSA-N 0 0 165.192 1.212 10 0 ADAERN C[C@@H](N)c1ncc([C@@H]2CCCCO2)o1 83554550 573555284 /nfs/dbraw/zinc/55/52/84/573555284.db2.gz JCDOQZVOKKGTRM-SFYZADRCSA-N 0 0 196.250 1.936 10 0 ADAERN NNc1cc2c3c(ccn3CCC2)c1 259504396 573555297 /nfs/dbraw/zinc/55/52/97/573555297.db2.gz QLFIGKNCVMHTPN-UHFFFAOYSA-N 0 0 187.246 1.873 10 0 ADAERN C[C@@H](N)c1ncc(C[C@H]2CCCO2)o1 83554712 573555300 /nfs/dbraw/zinc/55/53/00/573555300.db2.gz REOODDOPCZZBMB-HTQZYQBOSA-N 0 0 196.250 1.416 10 0 ADAERN CCC(=O)c1ccc(N)s1 75387271 573555324 /nfs/dbraw/zinc/55/53/24/573555324.db2.gz DSYYOCXPRNPZGY-UHFFFAOYSA-N 0 0 155.222 1.923 10 0 ADAERN CC[C@@H]([NH2+]C)[C@@H](CC)C(=O)[O-] 259121802 573555325 /nfs/dbraw/zinc/55/53/25/573555325.db2.gz GKPNXHIPVPFODQ-RNFRBKRXSA-N 0 0 159.229 1.095 10 0 ADAERN Cc1cc(O)cc(N(C)C)c1 95710938 573555357 /nfs/dbraw/zinc/55/53/57/573555357.db2.gz PNUJZJDLCOVIBQ-UHFFFAOYSA-N 0 0 151.209 1.767 10 0 ADAERN C[C@@H](N)c1ncc([C@@H]2CCCOC2)o1 83554740 573555358 /nfs/dbraw/zinc/55/53/58/573555358.db2.gz PMNQGXUSULQLAJ-HTQZYQBOSA-N 0 0 196.250 1.588 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH3+])c1ccc[nH]1 259507002 573555361 /nfs/dbraw/zinc/55/53/61/573555361.db2.gz RIHHPMAULGCXQT-POYBYMJQSA-N 0 0 182.223 1.125 10 0 ADAERN CNCc1ncc([C@@H]2CCCOC2)o1 83555277 573555384 /nfs/dbraw/zinc/55/53/84/573555384.db2.gz JKSOZGYTGBTPGL-MRVPVSSYSA-N 0 0 196.250 1.288 10 0 ADAERN C[C@@]12CCC[C@@](C)(O1)C(=O)C2 238438616 573555387 /nfs/dbraw/zinc/55/53/87/573555387.db2.gz IBZJQNYAXAKMNV-DTWKUNHWSA-N 0 0 154.209 1.677 10 0 ADAERN Cc1cc(O)c([C@H](C)O)cc1O 238438422 573555404 /nfs/dbraw/zinc/55/54/04/573555404.db2.gz ZSCLVURFHQDPLN-LURJTMIESA-N 0 0 168.192 1.460 10 0 ADAERN CC(=O)c1noc([C@@H]2CCSC2)n1 258061026 573555411 /nfs/dbraw/zinc/55/54/11/573555411.db2.gz PSBHBTNNFQMSGM-ZCFIWIBFSA-N 0 0 198.247 1.493 10 0 ADAERN C[C@@H]1[C@@H](CCO)CCC12OCCO2 238438853 573555419 /nfs/dbraw/zinc/55/54/19/573555419.db2.gz XHUCIIQUTTWZGR-RKDXNWHRSA-N 0 0 186.251 1.158 10 0 ADAERN Cc1ccc2nc(CC(N)=O)oc2c1 197041949 573555430 /nfs/dbraw/zinc/55/54/30/573555430.db2.gz OZAYDUOLUZVHCA-UHFFFAOYSA-N 0 0 190.202 1.164 10 0 ADAERN C[C@H](N)c1ncc(C[C@H]2CCCO2)o1 83554711 573555436 /nfs/dbraw/zinc/55/54/36/573555436.db2.gz REOODDOPCZZBMB-JGVFFNPUSA-N 0 0 196.250 1.416 10 0 ADAERN CO[C@](C)(CO)Cc1ccccc1C 257830205 573555446 /nfs/dbraw/zinc/55/54/46/573555446.db2.gz IYNOERWSDFNWKG-LBPRGKRZSA-N 0 0 194.274 1.935 10 0 ADAERN CCC[C@@](C)(CO)COCOC 215255108 573555454 /nfs/dbraw/zinc/55/54/54/573555454.db2.gz GARWISHNHVXXLL-VIFPVBQESA-N 0 0 176.256 1.406 10 0 ADAERN C[C@H](CO)c1ccc2ocnc2c1 238439093 573555455 /nfs/dbraw/zinc/55/54/55/573555455.db2.gz ZGSCBKXIDGCCCW-SSDOTTSWSA-N 0 0 177.203 1.924 10 0 ADAERN CN[C@@H](C)c1ncc([C@H]2CCCO2)o1 83556157 573555462 /nfs/dbraw/zinc/55/54/62/573555462.db2.gz LUZIRZVPNIJPSB-JGVFFNPUSA-N 0 0 196.250 1.807 10 0 ADAERN C[C@H]1CC=C([C@H](O)CO)CC1 238439165 573555476 /nfs/dbraw/zinc/55/54/76/573555476.db2.gz AVAYPJBDLQQZML-IONNQARKSA-N 0 0 156.225 1.086 10 0 ADAERN COc1nsnc1Br 238440419 573560722 /nfs/dbraw/zinc/56/07/22/573560722.db2.gz LVMUTNIVXAWZOF-UHFFFAOYSA-N 0 0 195.041 1.309 10 0 ADAERN C[C@@H](O)[C@@H]1[C@H]2CCCC[C@H]21 238439968 573559977 /nfs/dbraw/zinc/55/99/77/573559977.db2.gz OCQJWLOMNFYQGQ-HXFLIBJXSA-N 0 0 140.226 1.803 10 0 ADAERN COC(=O)/C=C\C[C@@H]1CCCC[C@H]1O 308622138 573559991 /nfs/dbraw/zinc/55/99/91/573559991.db2.gz GPWXGRJNCWMHGC-YXCTTXFESA-N 0 0 198.262 1.657 10 0 ADAERN CC1CC(O)(C(F)F)C1 145158074 573559994 /nfs/dbraw/zinc/55/99/94/573559994.db2.gz VAYWCMIUUIEYCS-UHFFFAOYSA-N 0 0 136.141 1.413 10 0 ADAERN Cc1ccc(CO)c(C=O)c1O 145156373 573560024 /nfs/dbraw/zinc/56/00/24/573560024.db2.gz WOOLHFBLDXPARQ-UHFFFAOYSA-N 0 0 166.176 1.005 10 0 ADAERN Cc1ccc(CCON)c(O)c1 258062178 573560030 /nfs/dbraw/zinc/56/00/30/573560030.db2.gz SQIWCSICQQZIRV-UHFFFAOYSA-N 0 0 167.208 1.133 10 0 ADAERN C[C@H]1Cc2cccc(C=O)c2N1 145052911 573560078 /nfs/dbraw/zinc/56/00/78/573560078.db2.gz RWGRZYACOGQMAY-ZETCQYMHSA-N 0 0 161.204 1.856 10 0 ADAERN CONCCc1ccsc1 78642930 573560118 /nfs/dbraw/zinc/56/01/18/573560118.db2.gz PTXVAZHCXSJNCJ-UHFFFAOYSA-N 0 0 157.238 1.442 10 0 ADAERN C[C@@H](O)c1cc(F)c(F)cc1CO 258061936 573560137 /nfs/dbraw/zinc/56/01/37/573560137.db2.gz LOJVDSGZNCRIOK-RXMQYKEDSA-N 0 0 188.173 1.510 10 0 ADAERN COc1coc(Cl)cc1=O 145101127 573560138 /nfs/dbraw/zinc/56/01/38/573560138.db2.gz CSSWYCKJEYELND-UHFFFAOYSA-N 0 0 160.556 1.302 10 0 ADAERN Nc1ccc(F)c(F)c1N1CC=CC1 236343047 573560152 /nfs/dbraw/zinc/56/01/52/573560152.db2.gz JHYDJZMNSVZSEG-UHFFFAOYSA-N 0 0 196.200 1.923 10 0 ADAERN Cn1cc([C@H](O)CC2CC2)cn1 83572090 573560158 /nfs/dbraw/zinc/56/01/58/573560158.db2.gz AZBJPVWZKMCVQN-SECBINFHSA-N 0 0 166.224 1.254 10 0 ADAERN CC(C)C[C@@]1(C)OC[C@H](CCO)O1 258781281 573560161 /nfs/dbraw/zinc/56/01/61/573560161.db2.gz QBKJEPLCCFFNNY-UWVGGRQHSA-N 0 0 188.267 1.547 10 0 ADAERN CCCC1CN(c2ccc(N)nc2)C1 86677995 573560179 /nfs/dbraw/zinc/56/01/79/573560179.db2.gz VVMZNHBJJQWHAX-UHFFFAOYSA-N 0 0 191.278 1.900 10 0 ADAERN Nc1nc(-c2ccco2)ncc1C=O 258777129 573560186 /nfs/dbraw/zinc/56/01/86/573560186.db2.gz RBESMOWHZIFUBB-UHFFFAOYSA-N 0 0 189.174 1.131 10 0 ADAERN CC(=O)Oc1cc(C)c(C=O)c(O)c1 145100363 573560193 /nfs/dbraw/zinc/56/01/93/573560193.db2.gz UWPOIUJHGPBUGH-UHFFFAOYSA-N 0 0 194.186 1.438 10 0 ADAERN OC1(c2cccc3oncc23)CC1 258062391 573560217 /nfs/dbraw/zinc/56/02/17/573560217.db2.gz SROPMYWMHDWDOS-UHFFFAOYSA-N 0 0 175.187 1.809 10 0 ADAERN Cn1ccc([C@@H](N)c2ccoc2)n1 83573580 573560220 /nfs/dbraw/zinc/56/02/20/573560220.db2.gz DSZYTSHDPGVCRW-VIFPVBQESA-N 0 0 177.207 1.061 10 0 ADAERN O=C1C[C@@H]([C@H]2CCCS2)CN1 257831077 573560239 /nfs/dbraw/zinc/56/02/39/573560239.db2.gz JLHUFBPSDKCSFP-RNFRBKRXSA-N 0 0 171.265 1.018 10 0 ADAERN C[C@@H]1COCC(C)(C)C1=O 107396839 573560257 /nfs/dbraw/zinc/56/02/57/573560257.db2.gz HVTIQPFOPCRPOG-ZCFIWIBFSA-N 0 0 142.198 1.248 10 0 ADAERN C[C@H]([NH+]1CC(C(=O)[O-])C1)C(C)(C)C 224300619 573560305 /nfs/dbraw/zinc/56/03/05/573560305.db2.gz YLDZQSSRIBHYMH-ZETCQYMHSA-N 0 0 185.267 1.437 10 0 ADAERN O=Cc1c2c(nn1C1CC1)CCOC2 257830737 573560309 /nfs/dbraw/zinc/56/03/09/573560309.db2.gz JEHYSGUHAZOAND-UHFFFAOYSA-N 0 0 192.218 1.103 10 0 ADAERN O[C@H]1COC[C@@H]1c1cccc(Cl)c1 687984281 573560313 /nfs/dbraw/zinc/56/03/13/573560313.db2.gz XVJJWSVTVXRBMD-ZJUUUORDSA-N 0 0 198.649 1.815 10 0 ADAERN Nc1cnnn1C1CCCCCC1 257830564 573560314 /nfs/dbraw/zinc/56/03/14/573560314.db2.gz JHHUWRYLLCDTBO-UHFFFAOYSA-N 0 0 180.255 1.756 10 0 ADAERN O=Cc1c[nH]c(C(F)(F)F)cc1=O 95761597 573560320 /nfs/dbraw/zinc/56/03/20/573560320.db2.gz ZHHAIRYRDHGPBE-UHFFFAOYSA-N 0 0 191.108 1.619 10 0 ADAERN Cc1ccc(-c2cc(N)no2)c(O)c1 258061800 573560324 /nfs/dbraw/zinc/56/03/24/573560324.db2.gz LKQTYVZHAATUGN-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CC(C)(C)c1cnc(NCCO)nc1 259112129 573560344 /nfs/dbraw/zinc/56/03/44/573560344.db2.gz BKKTYNMLHRUMIO-UHFFFAOYSA-N 0 0 195.266 1.178 10 0 ADAERN COc1ccc(N)c(N2CC[C@@H]2C)c1 86678498 573560378 /nfs/dbraw/zinc/56/03/78/573560378.db2.gz WXAGXSNEKWWSKL-QMMMGPOBSA-N 0 0 192.262 1.876 10 0 ADAERN CC(C)C[C@]1(C)OC[C@H](CCO)O1 258781285 573560406 /nfs/dbraw/zinc/56/04/06/573560406.db2.gz QBKJEPLCCFFNNY-VHSXEESVSA-N 0 0 188.267 1.547 10 0 ADAERN O=C1C[C@@H]([C@@H]2CCCS2)CN1 257831079 573560411 /nfs/dbraw/zinc/56/04/11/573560411.db2.gz JLHUFBPSDKCSFP-RQJHMYQMSA-N 0 0 171.265 1.018 10 0 ADAERN O=Cc1cccc(-c2cc[nH]n2)n1 145194403 573560412 /nfs/dbraw/zinc/56/04/12/573560412.db2.gz WFIMJLXQFDEMPN-UHFFFAOYSA-N 0 0 173.175 1.284 10 0 ADAERN CC(=O)[C@H]1CCS[C@H]1C 107397145 573560432 /nfs/dbraw/zinc/56/04/32/573560432.db2.gz CUJPWSNQEVRWCV-NKWVEPMBSA-N 0 0 144.239 1.717 10 0 ADAERN Cc1nc(Cl)cc(N[C@@H](C)O)n1 145159187 573560446 /nfs/dbraw/zinc/56/04/46/573560446.db2.gz DTJFKQZZOGWNSJ-RXMQYKEDSA-N 0 0 187.630 1.189 10 0 ADAERN N[C@@H](c1ccoc1)C(F)F 95779595 573560462 /nfs/dbraw/zinc/56/04/62/573560462.db2.gz WEBQRTIFCGJNQN-YFKPBYRVSA-N 0 0 147.124 1.545 10 0 ADAERN Nc1c[nH]c(-c2ccncc2)n1 75408611 573560487 /nfs/dbraw/zinc/56/04/87/573560487.db2.gz AZGGRQOMPWJOOV-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Cn1ccc(C(=O)c2ccco2)n1 83572008 573560494 /nfs/dbraw/zinc/56/04/94/573560494.db2.gz MVDKHFCOHZOQCG-UHFFFAOYSA-N 0 0 176.175 1.244 10 0 ADAERN Cc1ccc([C@@H](NN)N(C)C)cc1 259112317 573560496 /nfs/dbraw/zinc/56/04/96/573560496.db2.gz IBHOBHXLUSOPMG-JTQLQIEISA-N 0 0 179.267 1.019 10 0 ADAERN COCc1cccc(C)c1C=O 145163185 573560497 /nfs/dbraw/zinc/56/04/97/573560497.db2.gz VJAJKFHJYJBRHX-UHFFFAOYSA-N 0 0 164.204 1.954 10 0 ADAERN CN(C)c1nc2c(N)cccc2s1 75403744 573560516 /nfs/dbraw/zinc/56/05/16/573560516.db2.gz UCNFZIVUXVDOBQ-UHFFFAOYSA-N 0 0 193.275 1.945 10 0 ADAERN CCCC(=O)c1ccn(C)n1 83571804 573560544 /nfs/dbraw/zinc/56/05/44/573560544.db2.gz LWELVQYHGXKSOI-UHFFFAOYSA-N 0 0 152.197 1.403 10 0 ADAERN COC(=O)[C@H](C)C/C=C/C=C(/C)CO 308622808 573560550 /nfs/dbraw/zinc/56/05/50/573560550.db2.gz HAMXBTQCENWNSJ-JJHXLEJMSA-N 0 0 198.262 1.680 10 0 ADAERN Cc1c(-c2ccncc2)n[nH]c1C=O 238440206 573560589 /nfs/dbraw/zinc/56/05/89/573560589.db2.gz CHVAVMKSCSYLCV-UHFFFAOYSA-N 0 0 187.202 1.593 10 0 ADAERN O=C1c2c[nH]cc2CC12CC2 107397382 573560601 /nfs/dbraw/zinc/56/06/01/573560601.db2.gz AQNBFGAAWRVKON-UHFFFAOYSA-N 0 0 147.177 1.534 10 0 ADAERN COc1ccccc1[C@@H](C)ON 259509135 573560615 /nfs/dbraw/zinc/56/06/15/573560615.db2.gz RLPVYNBNGGUUAM-SSDOTTSWSA-N 0 0 167.208 1.647 10 0 ADAERN COc1ccccc1[C@@H]1CNOC1 257830590 573560616 /nfs/dbraw/zinc/56/06/16/573560616.db2.gz JHVXVPNGQVVHCZ-MRVPVSSYSA-N 0 0 179.219 1.314 10 0 ADAERN COc1ccc(N)c(N2CC(C)C2)c1 86678494 573560617 /nfs/dbraw/zinc/56/06/17/573560617.db2.gz BIGXWHUAFAXMDK-UHFFFAOYSA-N 0 0 192.262 1.734 10 0 ADAERN CC(C)C[C@@H]1COC(=O)[C@@H]1C 145262914 573560622 /nfs/dbraw/zinc/56/06/22/573560622.db2.gz CKZZVHLONBMJDA-HTQZYQBOSA-N 0 0 156.225 1.842 10 0 ADAERN COC(=O)C(=C\CO)/C=C/C=C(C)C 308623375 573560629 /nfs/dbraw/zinc/56/06/29/573560629.db2.gz HZBVWXXOIXACFU-JSRXJHBZSA-N 0 0 196.246 1.601 10 0 ADAERN CN[C@H](c1ccn(C)n1)c1ccco1 83573721 573560656 /nfs/dbraw/zinc/56/06/56/573560656.db2.gz HOAGNDGEYDMRQT-SNVBAGLBSA-N 0 0 191.234 1.322 10 0 ADAERN CCC[C@H](O)c1ccn(C)n1 83572378 573560671 /nfs/dbraw/zinc/56/06/71/573560671.db2.gz SKLMURVVETYJFC-QMMMGPOBSA-N 0 0 154.213 1.254 10 0 ADAERN Cn1ncc(-c2ccc(O)cc2)c1N 257830978 573560680 /nfs/dbraw/zinc/56/06/80/573560680.db2.gz JUTBCANOLUOJEP-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CC[C@H]1SCC[C@@H]1C(=O)OC 259614205 573560683 /nfs/dbraw/zinc/56/06/83/573560683.db2.gz FGSGAYRRIBEWQQ-NKWVEPMBSA-N 0 0 174.265 1.691 10 0 ADAERN Cn1ccc([C@@H](O)C(C)(C)C)n1 83572479 573560697 /nfs/dbraw/zinc/56/06/97/573560697.db2.gz DTICCFCFXUJSOS-MRVPVSSYSA-N 0 0 168.240 1.500 10 0 ADAERN CC(=O)[C@@H](C)[C@H](C)n1nccn1 238432912 573565330 /nfs/dbraw/zinc/56/53/30/573565330.db2.gz XUEWWTLJEODLCG-BQBZGAKWSA-N 0 0 167.212 1.064 10 0 ADAERN OC[C@@H]1CC[C@@H]1c1cccc(O)c1 257831110 573565368 /nfs/dbraw/zinc/56/53/68/573565368.db2.gz JMOLPWIHMZBMDX-GXSJLCMTSA-N 0 0 178.231 1.878 10 0 ADAERN CO[C@@](C)(CO)c1cccc(F)c1 257831091 573565420 /nfs/dbraw/zinc/56/54/20/573565420.db2.gz JLXPXXIJBAIFBZ-JTQLQIEISA-N 0 0 184.210 1.680 10 0 ADAERN CC(C)(O)c1cscc1N 145254774 573565425 /nfs/dbraw/zinc/56/54/25/573565425.db2.gz PQSKIFOGQGEMGW-UHFFFAOYSA-N 0 0 157.238 1.558 10 0 ADAERN CC(=O)[C@H]1CCC(=O)[C@@H]1C 238432252 573565433 /nfs/dbraw/zinc/56/54/33/573565433.db2.gz ZNFIRHKRRAMUQA-VDTYLAMSSA-N 0 0 140.182 1.191 10 0 ADAERN CC(C)C[C@]([NH3+])(C(=O)[O-])C(C)(C)F 257831398 573565444 /nfs/dbraw/zinc/56/54/44/573565444.db2.gz JJNOLKCAWCRNFJ-VIFPVBQESA-N 0 0 191.246 1.563 10 0 ADAERN COc1cccc([C@@H]2CNOC2)c1 257831486 573565453 /nfs/dbraw/zinc/56/54/53/573565453.db2.gz JRIFRGITELXNBN-SECBINFHSA-N 0 0 179.219 1.314 10 0 ADAERN OC[C@@H]1CC[C@H]1c1cccc(O)c1 257831116 573565462 /nfs/dbraw/zinc/56/54/62/573565462.db2.gz JMOLPWIHMZBMDX-ONGXEEELSA-N 0 0 178.231 1.878 10 0 ADAERN C[C@H](O)/C=C/C[C@H]1CCCCO1 238433020 573565491 /nfs/dbraw/zinc/56/54/91/573565491.db2.gz ORUYQPUNGDQEDV-OCIBVNFRSA-N 0 0 170.252 1.883 10 0 ADAERN COc1cccc([C@H]2CNOC2)c1 257831490 573565508 /nfs/dbraw/zinc/56/55/08/573565508.db2.gz JRIFRGITELXNBN-VIFPVBQESA-N 0 0 179.219 1.314 10 0 ADAERN CCCc1nc(-c2cnns2)n[nH]1 83592740 573565540 /nfs/dbraw/zinc/56/55/40/573565540.db2.gz RQSHZYHOFWGGMY-UHFFFAOYSA-N 0 0 195.251 1.276 10 0 ADAERN CC(=O)[C@]1(C)C(=O)OCC[C@H]1C 238432672 573565542 /nfs/dbraw/zinc/56/55/42/573565542.db2.gz SHIWZSWGHCLZDU-HZGVNTEJSA-N 0 0 170.208 1.165 10 0 ADAERN CC1=CC[C@@H]([C@@H](C)O)C1 238433145 573565547 /nfs/dbraw/zinc/56/55/47/573565547.db2.gz RIDHYPAFMJDTMB-HTQZYQBOSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@H]1CCCCNC(=O)C1 211909904 573565583 /nfs/dbraw/zinc/56/55/83/573565583.db2.gz ZCJRYSINBQPEHT-ZETCQYMHSA-N 0 0 141.214 1.313 10 0 ADAERN CCCc1nc(-c2csnn2)n[nH]1 83591731 573565596 /nfs/dbraw/zinc/56/55/96/573565596.db2.gz CJZQJLALQRXMJW-UHFFFAOYSA-N 0 0 195.251 1.276 10 0 ADAERN CC(C)n1[n-]c2c(c1=O)CC[N@H+](C)C2 257831410 573565604 /nfs/dbraw/zinc/56/56/04/573565604.db2.gz JJQNEXRXBROZHL-UHFFFAOYSA-N 0 0 195.266 1.158 10 0 ADAERN C[C@H]1C(=O)C(C)(C)CC2=C1OCO2 238432668 573565619 /nfs/dbraw/zinc/56/56/19/573565619.db2.gz LIYAHYXQYKUADU-ZCFIWIBFSA-N 0 0 182.219 1.837 10 0 ADAERN CC(C)=C/C=C/[C@H](C)O 238432343 573565633 /nfs/dbraw/zinc/56/56/33/573565633.db2.gz LOEPZKRKRUMLGM-JQTRYQTASA-N 0 0 126.199 1.890 10 0 ADAERN C[C@@H]([NH3+])Cc1ccc(F)c(C(=O)[O-])c1 238432240 573565649 /nfs/dbraw/zinc/56/56/49/573565649.db2.gz WUFHXXBMGWETOW-ZCFIWIBFSA-N 0 0 197.209 1.414 10 0 ADAERN CC(C)C[C@H]1[NH2+]CC[C@H]1C(=O)[O-] 75421797 573565651 /nfs/dbraw/zinc/56/56/51/573565651.db2.gz WTQJFKXWZWGVCV-HTQZYQBOSA-N 0 0 171.240 1.095 10 0 ADAERN CC(C)(C)OC(=O)c1cnns1 83592793 573565667 /nfs/dbraw/zinc/56/56/67/573565667.db2.gz IPTVZHDLXVECMX-UHFFFAOYSA-N 0 0 186.236 1.493 10 0 ADAERN CC[NH2+][C@@H]1CCC[C@@H](CC(=O)[O-])C1 238270793 573565669 /nfs/dbraw/zinc/56/56/69/573565669.db2.gz MPUBYRHZYGHZGM-RKDXNWHRSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@H](CO)C[S@](=O)C(C)(C)C 238432370 573565678 /nfs/dbraw/zinc/56/56/78/573565678.db2.gz CXVQBBGRVGKWLU-HQJQHLMTSA-N 0 0 178.297 1.162 10 0 ADAERN CC(C)(C)[C@](C)(C[NH3+])C(=O)[O-] 107400280 573565720 /nfs/dbraw/zinc/56/57/20/573565720.db2.gz URBYHFGGRCFDEJ-MRVPVSSYSA-N 0 0 159.229 1.082 10 0 ADAERN C[C@@H](C[C@@H]1CCCCC1=O)C(N)=O 145205953 573565724 /nfs/dbraw/zinc/56/57/24/573565724.db2.gz XBBTWWNVVODMLS-YUMQZZPRSA-N 0 0 183.251 1.257 10 0 ADAERN CC(C)N(C)C(=O)C1(CO)CCC1 258780105 573565764 /nfs/dbraw/zinc/56/57/64/573565764.db2.gz MYTHZLMWYBNEDP-UHFFFAOYSA-N 0 0 185.267 1.016 10 0 ADAERN Nc1cc(NCCC2CC2)sn1 236357634 573565788 /nfs/dbraw/zinc/56/57/88/573565788.db2.gz WQCAWESPMNYAAW-UHFFFAOYSA-N 0 0 183.280 1.937 10 0 ADAERN C[C@@]1(O)CNc2cccc(O)c2C1 257831405 573565801 /nfs/dbraw/zinc/56/58/01/573565801.db2.gz JPZPCRDYQVKUPS-JTQLQIEISA-N 0 0 179.219 1.111 10 0 ADAERN Cc1nccc(Cl)c1O[C@@H](C)O 145215982 573565807 /nfs/dbraw/zinc/56/58/07/573565807.db2.gz RQKRQWZLXMILOE-LURJTMIESA-N 0 0 187.626 1.761 10 0 ADAERN C[C@@H](O)c1ccccc1C1(CO)CC1 259512973 573565815 /nfs/dbraw/zinc/56/58/15/573565815.db2.gz SAAFPKQENFIYGF-SECBINFHSA-N 0 0 192.258 1.764 10 0 ADAERN COC(=O)C(F)(F)CC(F)(F)F 257831214 573565820 /nfs/dbraw/zinc/56/58/20/573565820.db2.gz JHOSWCLIOHCEJA-UHFFFAOYSA-N 0 0 192.083 1.747 10 0 ADAERN C/C=C\CCNc1nccc(CO)n1 308623468 573565828 /nfs/dbraw/zinc/56/58/28/573565828.db2.gz UXBZJOXIPSXYLV-IHWYPQMZSA-N 0 0 193.250 1.347 10 0 ADAERN C[C@H]1C(=O)C2CCC1(O)CC2 238432853 573565857 /nfs/dbraw/zinc/56/58/57/573565857.db2.gz ZXPZHCFUXRPFAV-PTNSZRNDSA-N 0 0 154.209 1.127 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@H](O)c1csc(C)n1 689971527 573565866 /nfs/dbraw/zinc/56/58/66/573565866.db2.gz FMKQXJROOXLTNS-ZQARSLAVSA-N 0 0 199.275 1.520 10 0 ADAERN O=C([O-])C[NH+]1CC2(CCCCC2)C1 86683020 573565867 /nfs/dbraw/zinc/56/58/67/573565867.db2.gz ZMIQMIROLVUTKP-UHFFFAOYSA-N 0 0 183.251 1.337 10 0 ADAERN COC(=O)[C@]1(C(F)(F)F)C[C@H]1C 259511625 573565879 /nfs/dbraw/zinc/56/58/79/573565879.db2.gz CBAYLUGGBIULSQ-XINAWCOVSA-N 0 0 182.141 1.748 10 0 ADAERN CC(=O)[C@@H]1[C@@H](C)[C@@]1(C)Cl 238432495 573565882 /nfs/dbraw/zinc/56/58/82/573565882.db2.gz QHSKRSKAGCPRHT-PRMYIZFSSA-N 0 0 146.617 1.839 10 0 ADAERN CNC(=O)c1c(C)cccc1F 145244919 573565898 /nfs/dbraw/zinc/56/58/98/573565898.db2.gz ZJDDARZBIHXIFJ-UHFFFAOYSA-N 0 0 167.183 1.494 10 0 ADAERN NN[C@H]1CCc2cc(Cl)ccc21 83596864 573565903 /nfs/dbraw/zinc/56/59/03/573565903.db2.gz DWVFWLSYOXJZIQ-VIFPVBQESA-N 0 0 182.654 1.791 10 0 ADAERN O=C(NCl)c1ccccc1O 145214847 573565918 /nfs/dbraw/zinc/56/59/18/573565918.db2.gz WZHOXMLWRIFRQK-UHFFFAOYSA-N 0 0 171.583 1.276 10 0 ADAERN C[C@H]1CCC=C[C@@H](O)C1 197056264 573565923 /nfs/dbraw/zinc/56/59/23/573565923.db2.gz BINZKQVGOOWVMT-JGVFFNPUSA-N 0 0 126.199 1.724 10 0 ADAERN Cc1[nH+]c2cc(NC[NH3+])ccc2n1C 258777965 573565930 /nfs/dbraw/zinc/56/59/30/573565930.db2.gz BHLPTUPIFLJPRL-UHFFFAOYSA-N 0 0 190.250 1.210 10 0 ADAERN CC1(C[C@@H]2COC[C@@H]2O)CCCC1 687984317 573565942 /nfs/dbraw/zinc/56/59/42/573565942.db2.gz XYIKPTDVWLXLEY-ZJUUUORDSA-N 0 0 184.279 1.964 10 0 ADAERN COC(=O)[C@@H](c1cccn1C)C1CC1 259512646 573565957 /nfs/dbraw/zinc/56/59/57/573565957.db2.gz CEJQJNSGEWQTTC-SNVBAGLBSA-N 0 0 193.246 1.692 10 0 ADAERN C[C@@H]1N=Cc2ccccc2NC1=O 145256650 573565971 /nfs/dbraw/zinc/56/59/71/573565971.db2.gz XGPXQTBRRIKIIS-ZETCQYMHSA-N 0 0 174.203 1.446 10 0 ADAERN C[C@@H]1CCN(c2ccccc2)[C@@H]1CO 238432765 573565979 /nfs/dbraw/zinc/56/59/79/573565979.db2.gz CLSNVWMNERMZBZ-ZYHUDNBSSA-N 0 0 191.274 1.894 10 0 ADAERN C[C@@](O)(CO)C/C=C\c1ccccc1 308624326 573566030 /nfs/dbraw/zinc/56/60/30/573566030.db2.gz JDXLCNGTOOURLR-JECSTDCCSA-N 0 0 192.258 1.833 10 0 ADAERN CC(=O)OC1(/C=C\CO)CCCCC1 308625585 573568333 /nfs/dbraw/zinc/56/83/33/573568333.db2.gz KUSDITCPKMAXLX-YVMONPNESA-N 0 0 198.262 1.801 10 0 ADAERN Cc1nccc(Cl)c1O[C@H](C)O 145216183 573568337 /nfs/dbraw/zinc/56/83/37/573568337.db2.gz RQKRQWZLXMILOE-ZCFIWIBFSA-N 0 0 187.626 1.761 10 0 ADAERN C[C@H]1c2ccccc2CC[C@@H]1C(N)=O 238432779 573568376 /nfs/dbraw/zinc/56/83/76/573568376.db2.gz BYVOWAFEWYQBOY-KWQFWETISA-N 0 0 189.258 1.838 10 0 ADAERN COC(=O)C[C@@H]1CCCO[C@H]1C 259511536 573568387 /nfs/dbraw/zinc/56/83/87/573568387.db2.gz BZLQQGMKYKSKCF-YUMQZZPRSA-N 0 0 172.224 1.365 10 0 ADAERN COC[C@](O)(Cc1ccoc1)C1CC1 130502573 573568413 /nfs/dbraw/zinc/56/84/13/573568413.db2.gz LUTJFXMVFLLAEL-LLVKDONJSA-N 0 0 196.246 1.610 10 0 ADAERN Cc1oc(/C=C\C2CC2)nc1CCO 308624297 573568441 /nfs/dbraw/zinc/56/84/41/573568441.db2.gz JAVCPHNFSQVKGC-PLNGDYQASA-N 0 0 193.246 1.941 10 0 ADAERN Nc1n[nH]c(C2CC2)c1Cl 107400035 573568452 /nfs/dbraw/zinc/56/84/52/573568452.db2.gz FPWSSWBNRFUQCQ-UHFFFAOYSA-N 0 0 157.604 1.523 10 0 ADAERN CC[C@](C)([NH2+]CC=C1CCC1)C(N)=O 308626071 573568461 /nfs/dbraw/zinc/56/84/61/573568461.db2.gz WJMORJJPVOHAIU-NSHDSACASA-N 0 0 196.294 1.340 10 0 ADAERN COCCC[NH2+][C@@H](C)c1cncnc1 308624857 573568472 /nfs/dbraw/zinc/56/84/72/573568472.db2.gz VMGKIDINSQYCDX-VIFPVBQESA-N 0 0 195.266 1.164 10 0 ADAERN CN1N[C@@H](C2CCCCC2)CC1=O 257832359 573568501 /nfs/dbraw/zinc/56/85/01/573568501.db2.gz KAQYWHXIEKYBBZ-SECBINFHSA-N 0 0 182.267 1.302 10 0 ADAERN CCC[C@@H]1C(=O)N[C@H]1CC 211917371 573568512 /nfs/dbraw/zinc/56/85/12/573568512.db2.gz ZGBWDUNQLZPIFY-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN C[C@@H](O)[C@@H]1CC(F)(F)C1(F)F 238433071 573568516 /nfs/dbraw/zinc/56/85/16/573568516.db2.gz UXULYCOTSMYWMJ-DMTCNVIQSA-N 0 0 172.121 1.658 10 0 ADAERN Cc1cccc2c1c(N)nn2C 107400705 573568527 /nfs/dbraw/zinc/56/85/27/573568527.db2.gz ZKZFXTZGUJDRSN-UHFFFAOYSA-N 0 0 161.208 1.464 10 0 ADAERN CCC[C@H]1C(=O)N[C@@H]1CC 211917447 573568564 /nfs/dbraw/zinc/56/85/64/573568564.db2.gz ZGBWDUNQLZPIFY-RNFRBKRXSA-N 0 0 141.214 1.311 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@H](C)C1 83611222 573568583 /nfs/dbraw/zinc/56/85/83/573568583.db2.gz CFJUUSLJBMCADX-WCBMZHEXSA-N 0 0 185.267 1.629 10 0 ADAERN COCc1cc(Cl)sn1 107401513 573568594 /nfs/dbraw/zinc/56/85/94/573568594.db2.gz WWMMWDDOMMMIIO-UHFFFAOYSA-N 0 0 163.629 1.943 10 0 ADAERN Nc1ccc(C(=O)C2CC2)o1 75424683 573568595 /nfs/dbraw/zinc/56/85/95/573568595.db2.gz VYLICWKXWAUSLN-UHFFFAOYSA-N 0 0 151.165 1.455 10 0 ADAERN COc1c(C)cc(N)c2c1CCO2 75428069 573568616 /nfs/dbraw/zinc/56/86/16/573568616.db2.gz HOGSWKBZOMOUAL-UHFFFAOYSA-N 0 0 179.219 1.521 10 0 ADAERN c1ccn(CCc2c[nH]cn2)c1 83610813 573568642 /nfs/dbraw/zinc/56/86/42/573568642.db2.gz DOORCANFCPSFJQ-UHFFFAOYSA-N 0 0 161.208 1.454 10 0 ADAERN COC(=O)C[C@H](O)/C=C\c1ccco1 308624262 573568655 /nfs/dbraw/zinc/56/86/55/573568655.db2.gz IWYXIWZVLGMVGF-PULIVWKDSA-N 0 0 196.202 1.217 10 0 ADAERN CC[C@H](Cc1ccc[nH]1)C(=O)OC 259112862 573568660 /nfs/dbraw/zinc/56/86/60/573568660.db2.gz BNQGVMDGBWTVFT-MRVPVSSYSA-N 0 0 181.235 1.756 10 0 ADAERN CCCc1nc(C[C@H](C)[NH3+])cc(=O)[nH]1 308633426 573568661 /nfs/dbraw/zinc/56/86/61/573568661.db2.gz ZYBLFSUSAJVKGG-ZETCQYMHSA-N 0 0 195.266 1.024 10 0 ADAERN CC1=CC[N@H+]([C@H](C(=O)[O-])C(C)C)CC1 75423280 573568673 /nfs/dbraw/zinc/56/86/73/573568673.db2.gz ZWJMMYNNVWLQIS-JTQLQIEISA-N 0 0 197.278 1.748 10 0 ADAERN CC(=O)C[C@]1(C)CCC(=O)C1 224329722 573568679 /nfs/dbraw/zinc/56/86/79/573568679.db2.gz SCGBMQNIOZLISM-VIFPVBQESA-N 0 0 154.209 1.725 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CC[C@@H](C)C[C@H]1C 83611661 573568684 /nfs/dbraw/zinc/56/86/84/573568684.db2.gz QNHIGJVCIMFRFU-KKZNHRDASA-N 0 0 199.294 1.875 10 0 ADAERN Cc1ccc([C@@H](CCO)ON)cc1 257831952 573568691 /nfs/dbraw/zinc/56/86/91/573568691.db2.gz JVZYNMDVTWUXOW-SNVBAGLBSA-N 0 0 181.235 1.309 10 0 ADAERN CC(C)C(=O)c1ccc(N)o1 75424677 573568696 /nfs/dbraw/zinc/56/86/96/573568696.db2.gz XTMKBRIHZHWIPT-UHFFFAOYSA-N 0 0 153.181 1.701 10 0 ADAERN CCc1noc2ncc(N)cc12 107401273 573568713 /nfs/dbraw/zinc/56/87/13/573568713.db2.gz RRHKEMCMDRATSK-UHFFFAOYSA-N 0 0 163.180 1.367 10 0 ADAERN CC(C)n1[nH]c(=O)c2ccc(O)cc21 257831934 573568745 /nfs/dbraw/zinc/56/87/45/573568745.db2.gz JPLFYVLVMWPVOQ-UHFFFAOYSA-N 0 0 192.218 1.616 10 0 ADAERN CC[C@@H](O)COP(=O)(OC)OC 238271398 573568784 /nfs/dbraw/zinc/56/87/84/573568784.db2.gz NIWRLOSSJCOHOC-ZCFIWIBFSA-N 0 0 198.155 1.175 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CC[C@H](C)C[C@H]1C 83611663 573568786 /nfs/dbraw/zinc/56/87/86/573568786.db2.gz QNHIGJVCIMFRFU-NGZCFLSTSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1c(C(=O)CN)ccc2occc12 75428270 573568787 /nfs/dbraw/zinc/56/87/87/573568787.db2.gz AGQYXPFOAJTSFT-UHFFFAOYSA-N 0 0 189.214 1.883 10 0 ADAERN C/C=C/C[NH2+][C@](CC)(C(N)=O)C(C)C 308626041 573568791 /nfs/dbraw/zinc/56/87/91/573568791.db2.gz WIIUPDBFHUHDAF-ZRQQLDRUSA-N 0 0 198.310 1.442 10 0 ADAERN COc1cccc(C2(OC)COC2)c1 258779914 573568792 /nfs/dbraw/zinc/56/87/92/573568792.db2.gz URDUSLPZHWWXDO-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN CC(C)Cn1[nH]c(=O)c2c1CCC2 257832334 573568811 /nfs/dbraw/zinc/56/88/11/573568811.db2.gz JZYLXZRVWPUWQH-UHFFFAOYSA-N 0 0 180.251 1.733 10 0 ADAERN Cn1ccc2c(O)c(N)ccc21 258064412 573568820 /nfs/dbraw/zinc/56/88/20/573568820.db2.gz SZWMEXWFKIQNDA-UHFFFAOYSA-N 0 0 162.192 1.466 10 0 ADAERN C[C@H](O)c1ncc2cccc(O)n12 257831925 573568848 /nfs/dbraw/zinc/56/88/48/573568848.db2.gz JVLYDLVXQHUDSL-LURJTMIESA-N 0 0 178.191 1.093 10 0 ADAERN COCCC[NH2+][C@H](C)c1cncnc1 308624856 573568931 /nfs/dbraw/zinc/56/89/31/573568931.db2.gz VMGKIDINSQYCDX-SECBINFHSA-N 0 0 195.266 1.164 10 0 ADAERN CN(C(N)=O)c1coc2ccccc12 258780766 573568950 /nfs/dbraw/zinc/56/89/50/573568950.db2.gz YKABCNQHFLGAJN-UHFFFAOYSA-N 0 0 190.202 1.948 10 0 ADAERN Oc1cccc2c1C1(CC1)[C@H](O)CC2 259511328 573568960 /nfs/dbraw/zinc/56/89/60/573568960.db2.gz ZNEBKNBUFXBIPP-SNVBAGLBSA-N 0 0 190.242 1.731 10 0 ADAERN COC(=O)C[C@H]1CCCO[C@H]1C 259511532 573568968 /nfs/dbraw/zinc/56/89/68/573568968.db2.gz BZLQQGMKYKSKCF-JGVFFNPUSA-N 0 0 172.224 1.365 10 0 ADAERN CC(C)(C)[C@H]([NH3+])CCCC(=O)[O-] 259112791 573568975 /nfs/dbraw/zinc/56/89/75/573568975.db2.gz BNDBMPOAOAFGTQ-SSDOTTSWSA-N 0 0 173.256 1.615 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCC[C@@H](C)C1 83611220 573568979 /nfs/dbraw/zinc/56/89/79/573568979.db2.gz CFJUUSLJBMCADX-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CC[C@H](CO)Nc1nc(C2CC2)no1 308623633 573569005 /nfs/dbraw/zinc/56/90/05/573569005.db2.gz VBHBTMIIGANTGS-SSDOTTSWSA-N 0 0 197.238 1.130 10 0 ADAERN CO[C@@H]1COc2cccc(N)c2C1 257832371 573569018 /nfs/dbraw/zinc/56/90/18/573569018.db2.gz KAYBDYAPOPZKTO-ZETCQYMHSA-N 0 0 179.219 1.219 10 0 ADAERN CCC[C@@](C[NH3+])(C(=O)[O-])C(C)(F)F 257831949 573569025 /nfs/dbraw/zinc/56/90/25/573569025.db2.gz JPWZNXWLQWCKNO-MRVPVSSYSA-N 0 0 195.209 1.471 10 0 ADAERN CCCC[C@@H](CC(=O)[O-])[NH2+]C 83611809 573569026 /nfs/dbraw/zinc/56/90/26/573569026.db2.gz ILOVFKWNCJIKLN-ZETCQYMHSA-N 0 0 159.229 1.239 10 0 ADAERN CC/C(=C/c1c(C)nn(C)c1C)CO 211916829 573569028 /nfs/dbraw/zinc/56/90/28/573569028.db2.gz NERNEUSPHKWXMB-POHAHGRESA-N 0 0 194.278 1.823 10 0 ADAERN Cc1ccc(-c2cnnc(C=O)n2)cc1 257832221 573568316 /nfs/dbraw/zinc/56/83/16/573568316.db2.gz HTOIDPBVVKAUED-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN C[C@H]1C(=O)CC[C@@]2(C)C[C@@]12CO 238433699 573569830 /nfs/dbraw/zinc/56/98/30/573569830.db2.gz BVWXWHDABSVFGI-UJNFCWOMSA-N 0 0 168.236 1.374 10 0 ADAERN C[C@@]12CCO[C@H]1CCCC2=O 238444002 573569838 /nfs/dbraw/zinc/56/98/38/573569838.db2.gz PHMFARIMTOHAMN-IUCAKERBSA-N 0 0 154.209 1.535 10 0 ADAERN OCc1cccc(CC2(O)CC2)c1 259514944 573569842 /nfs/dbraw/zinc/56/98/42/573569842.db2.gz SDPWGNFGTMESBH-UHFFFAOYSA-N 0 0 178.231 1.246 10 0 ADAERN CC[C@@H](Cc1ccc[nH]1)C(=O)OC 259112865 573569847 /nfs/dbraw/zinc/56/98/47/573569847.db2.gz BNQGVMDGBWTVFT-QMMMGPOBSA-N 0 0 181.235 1.756 10 0 ADAERN Nc1cccc([C@H](O)c2ccco2)c1 236357648 573569865 /nfs/dbraw/zinc/56/98/65/573569865.db2.gz XWRBEQVHRWISQR-NSHDSACASA-N 0 0 189.214 1.944 10 0 ADAERN CC1(C)[C@H](CC(=O)[O-])CC[N@@H+]1C1CC1 259515733 573569868 /nfs/dbraw/zinc/56/98/68/573569868.db2.gz UVOIDBBJKJDCEH-QMMMGPOBSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H]1C(=O)OCCCCCC[C@@H]1O 238444242 573569886 /nfs/dbraw/zinc/56/98/86/573569886.db2.gz PXIHJBFWYGRTCV-BDAKNGLRSA-N 0 0 186.251 1.491 10 0 ADAERN OCc1cccn1COC1CCCC1 308624534 573569934 /nfs/dbraw/zinc/56/99/34/573569934.db2.gz VKWISCNJCXJLTA-UHFFFAOYSA-N 0 0 195.262 1.897 10 0 ADAERN CC(C)(C)[C@@H]([NH3+])CCCC(=O)[O-] 259112794 573569960 /nfs/dbraw/zinc/56/99/60/573569960.db2.gz BNDBMPOAOAFGTQ-ZETCQYMHSA-N 0 0 173.256 1.615 10 0 ADAERN O=Cc1coc(C[C@@H]2CCCOC2)n1 258062802 573569962 /nfs/dbraw/zinc/56/99/62/573569962.db2.gz LLPMZTXZTCCXEH-QMMMGPOBSA-N 0 0 195.218 1.456 10 0 ADAERN C[C@@H]1c2ccccc2C(=O)[C@@H]1CCO 238444175 573569976 /nfs/dbraw/zinc/56/99/76/573569976.db2.gz HZJBEBQGVZLSEA-PSASIEDQSA-N 0 0 190.242 1.985 10 0 ADAERN CC(C)[C@H](O)/C=C\C1=NC(C)(C)CO1 308623890 573569977 /nfs/dbraw/zinc/56/99/77/573569977.db2.gz ITZFDBDMBFJGRR-SSJHQANKSA-N 0 0 197.278 1.767 10 0 ADAERN Cn1cccc1-c1ccc(C=O)[nH]1 75426935 573569995 /nfs/dbraw/zinc/56/99/95/573569995.db2.gz AHIKVDBVNWCTQB-UHFFFAOYSA-N 0 0 174.203 1.833 10 0 ADAERN CCO/C=C(\C)[C@H](O)CC1=[NH+]CCC1 308625331 573570004 /nfs/dbraw/zinc/57/00/04/573570004.db2.gz KLNUVNVKWQAABT-ANYFNZRUSA-N 0 0 197.278 1.913 10 0 ADAERN C[C@](O)(CO)C/C=C\c1ccccc1 308624328 573570068 /nfs/dbraw/zinc/57/00/68/573570068.db2.gz JDXLCNGTOOURLR-VVEJJEBESA-N 0 0 192.258 1.833 10 0 ADAERN CC(=O)C[C@H](O)[C@@H]1CCC=C[C@@H]1C 238444120 573570087 /nfs/dbraw/zinc/57/00/87/573570087.db2.gz BLPSKHWWAKYQJC-GDPRMGEGSA-N 0 0 182.263 1.929 10 0 ADAERN C[NH2+][C@]1(CC(=O)[O-])CCCC[C@H]1C 83611791 573570109 /nfs/dbraw/zinc/57/01/09/573570109.db2.gz LBXDHISZFJOTPY-SCZZXKLOSA-N 0 0 185.267 1.629 10 0 ADAERN Cc1nc(C)c([C@]2(O)C[C@@H]2C)s1 235619411 573570119 /nfs/dbraw/zinc/57/01/19/573570119.db2.gz DIIKJKVBOAMYCG-CDUCUWFYSA-N 0 0 183.276 1.987 10 0 ADAERN COc1c(C)cc2c(c1N)C(=O)OC2 238444161 573570124 /nfs/dbraw/zinc/57/01/24/573570124.db2.gz HNNPMIXGNVKLPE-UHFFFAOYSA-N 0 0 193.202 1.256 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@H+]1CC=CCC1 75423227 573570133 /nfs/dbraw/zinc/57/01/33/573570133.db2.gz USBOQLHRTLHOFP-SECBINFHSA-N 0 0 183.251 1.358 10 0 ADAERN Cc1ccc2c(n1)NCCC(=O)N2 83610047 573570141 /nfs/dbraw/zinc/57/01/41/573570141.db2.gz QJVSGOTUBSQNFW-UHFFFAOYSA-N 0 0 177.207 1.144 10 0 ADAERN Nc1c(C2CCC2)nnn1C1CC1 257831854 573570144 /nfs/dbraw/zinc/57/01/44/573570144.db2.gz JTNNIOIONMLEFB-UHFFFAOYSA-N 0 0 178.239 1.463 10 0 ADAERN CC(=O)[C@H]1SCC=C[C@@H]1C 238444396 573570151 /nfs/dbraw/zinc/57/01/51/573570151.db2.gz KXXLGBRZYWSULN-XPUUQOCRSA-N 0 0 156.250 1.883 10 0 ADAERN COC(=O)[C@@H](F)C1CCSCC1 257831965 573570157 /nfs/dbraw/zinc/57/01/57/573570157.db2.gz JQACGLBWWLRFSD-ZETCQYMHSA-N 0 0 192.255 1.641 10 0 ADAERN C/C=C/CCNc1nccc(CO)n1 308623470 573570161 /nfs/dbraw/zinc/57/01/61/573570161.db2.gz UXBZJOXIPSXYLV-NSCUHMNNSA-N 0 0 193.250 1.347 10 0 ADAERN C[C@H](O)/C=C/[C@H]1CCCCO1 238433431 573570183 /nfs/dbraw/zinc/57/01/83/573570183.db2.gz NWJOJLZNRKIEIK-VFPASMGPSA-N 0 0 156.225 1.493 10 0 ADAERN C[C@H]1C[C@H](O)N(C)C(=S)S1 238444005 573570195 /nfs/dbraw/zinc/57/01/95/573570195.db2.gz UGGAMHHTGRCJEV-WHFBIAKZSA-N 0 0 177.294 1.047 10 0 ADAERN CCc1cccc(C)c1NCNN 258779064 573570207 /nfs/dbraw/zinc/57/02/07/573570207.db2.gz ZQPFFHLIWWYGQO-UHFFFAOYSA-N 0 0 179.267 1.390 10 0 ADAERN C/C=C(\C(=O)OC)[C@H](O)c1ccco1 308624345 573570212 /nfs/dbraw/zinc/57/02/12/573570212.db2.gz JEMGGCGYODBSRU-XGLGWPIMSA-N 0 0 196.202 1.432 10 0 ADAERN CSc1ccnc(CC(C)=O)n1 238433166 573570245 /nfs/dbraw/zinc/57/02/45/573570245.db2.gz BPSBCHWGSMTPDP-UHFFFAOYSA-N 0 0 182.248 1.330 10 0 ADAERN CC(C)[C@@H]1CC[C@H](C)CNC1=O 145611017 573570248 /nfs/dbraw/zinc/57/02/48/573570248.db2.gz XTGVNDCCKLFHJY-IUCAKERBSA-N 0 0 169.268 1.805 10 0 ADAERN OCCC[C@H]1C[C@]1(O)c1ccccc1 238682752 573570254 /nfs/dbraw/zinc/57/02/54/573570254.db2.gz OEUZYKGJLRUBBP-RYUDHWBXSA-N 0 0 192.258 1.667 10 0 ADAERN CC(=O)C(F)(F)[C@@H]1CCCOC1 257831954 573570267 /nfs/dbraw/zinc/57/02/67/573570267.db2.gz JWBGKIOEXZEOPS-SSDOTTSWSA-N 0 0 178.178 1.637 10 0 ADAERN C[C@@H]1CC[C@@H](c2ccoc2)NC1=O 238444293 573570269 /nfs/dbraw/zinc/57/02/69/573570269.db2.gz LZGYPVLUPSWHKX-APPZFPTMSA-N 0 0 179.219 1.867 10 0 ADAERN O=C(NC1CCCCC1)C1(CO)CC1 258778817 573570272 /nfs/dbraw/zinc/57/02/72/573570272.db2.gz QOGJUPDQFMNNNT-UHFFFAOYSA-N 0 0 197.278 1.208 10 0 ADAERN Cc1c(C(=O)CN)ccc2c1CCO2 75429286 573570273 /nfs/dbraw/zinc/57/02/73/573570273.db2.gz HBFVARPQKJHGDQ-UHFFFAOYSA-N 0 0 191.230 1.071 10 0 ADAERN C[C@H]1C[C@H](O)ON1C(C)(C)C 238444212 573570289 /nfs/dbraw/zinc/57/02/89/573570289.db2.gz FPGKBIOWWJGOBI-NKWVEPMBSA-N 0 0 159.229 1.129 10 0 ADAERN C[C@H](O)c1ncc2c(O)cccn12 257831997 573570342 /nfs/dbraw/zinc/57/03/42/573570342.db2.gz JXLFRRXBDGDMJC-LURJTMIESA-N 0 0 178.191 1.093 10 0 ADAERN CC(C)(C)C1C[NH+](CC(=O)[O-])C1 86683070 573570354 /nfs/dbraw/zinc/57/03/54/573570354.db2.gz KCJJHRWUBHBHQG-UHFFFAOYSA-N 0 0 171.240 1.049 10 0 ADAERN COC(=O)[C@@H]1CCC(=O)C2(CCC2)C1 259513967 573570355 /nfs/dbraw/zinc/57/03/55/573570355.db2.gz CIFHTEHDOQNSSE-MRVPVSSYSA-N 0 0 196.246 1.699 10 0 ADAERN C/C=C(\C(=O)OC)[C@@H](O)c1ccco1 308624343 573570366 /nfs/dbraw/zinc/57/03/66/573570366.db2.gz JEMGGCGYODBSRU-SEYNBYMXSA-N 0 0 196.202 1.432 10 0 ADAERN C[C@@H](O)c1ncc2cccc(O)n12 257831927 573570369 /nfs/dbraw/zinc/57/03/69/573570369.db2.gz JVLYDLVXQHUDSL-ZCFIWIBFSA-N 0 0 178.191 1.093 10 0 ADAERN CCc1nc(CN)oc1C 75423127 573570377 /nfs/dbraw/zinc/57/03/77/573570377.db2.gz JEJASMDWCLVRAS-UHFFFAOYSA-N 0 0 140.186 1.004 10 0 ADAERN Cc1cc(O)cc(CCO)c1F 258064364 573570390 /nfs/dbraw/zinc/57/03/90/573570390.db2.gz SZNIERZJBHXHOG-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN C[C@H]1CCC[C@]2(OCCC2=O)O1 238433473 573570409 /nfs/dbraw/zinc/57/04/09/573570409.db2.gz FMDZBNGQBTYLJQ-CBAPKCEASA-N 0 0 170.208 1.261 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCCC[C@H]1C 83611794 573570413 /nfs/dbraw/zinc/57/04/13/573570413.db2.gz LBXDHISZFJOTPY-PSASIEDQSA-N 0 0 185.267 1.629 10 0 ADAERN CC(C)(CC(=O)[O-])[NH+]1CC2(CCC2)C1 86685577 573573814 /nfs/dbraw/zinc/57/38/14/573573814.db2.gz KFGSGRWXHKPLDM-UHFFFAOYSA-N 0 0 197.278 1.726 10 0 ADAERN C[NH+](C)C(C)(C)C(C)(C)C(=O)[O-] 86686078 573573820 /nfs/dbraw/zinc/57/38/20/573573820.db2.gz YZLCGYMLPANESR-UHFFFAOYSA-N 0 0 173.256 1.437 10 0 ADAERN O=C([O-])[C@@H]1CC[C@H]([NH+]2CC3(CC3)C2)C1 86686554 573573845 /nfs/dbraw/zinc/57/38/45/573573845.db2.gz TUVWCMBAIVLJTN-BDAKNGLRSA-N 0 0 195.262 1.336 10 0 ADAERN CC1C[NH+]([C@@H](C(=O)[O-])C(C)C)C1 86683324 573573867 /nfs/dbraw/zinc/57/38/67/573573867.db2.gz DUJSWPXTMCZYJS-MRVPVSSYSA-N 0 0 171.240 1.047 10 0 ADAERN CCC1C[NH+]([C@@H]2CC[C@H](C(=O)[O-])C2)C1 86686488 573573873 /nfs/dbraw/zinc/57/38/73/573573873.db2.gz IYUFQRJRGFGVBJ-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN Nc1ccc([C@@H](O)[C@@H]2CCOC2)cc1 236367543 573573884 /nfs/dbraw/zinc/57/38/84/573573884.db2.gz HTRQVXYSSULZIB-MWLCHTKSSA-N 0 0 193.246 1.339 10 0 ADAERN C[C@H]1CC[N@@H+]1[C@@H](C(=O)[O-])C(C)(C)C 86685060 573573888 /nfs/dbraw/zinc/57/38/88/573573888.db2.gz ODLGYJAANBIGBI-YUMQZZPRSA-N 0 0 185.267 1.580 10 0 ADAERN Cc1cc(-c2nc(N)n[nH]2)sc1C 83631287 573576930 /nfs/dbraw/zinc/57/69/30/573576930.db2.gz MWUOETHOKBCEQY-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN C[C@@H]1CC[C@@]2(CO)CCCC[C@@H]2N1O 144423238 573576934 /nfs/dbraw/zinc/57/69/34/573576934.db2.gz XSFJEYSHSNGTJD-OUAUKWLOSA-N 0 0 199.294 1.781 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H]([NH3+])C1CCCC1 259113133 573573289 /nfs/dbraw/zinc/57/32/89/573573289.db2.gz ABQORKSDTNGKDT-VHSXEESVSA-N 0 0 199.294 1.861 10 0 ADAERN C[NH+]1CCC([C@@](C)(F)C(=O)[O-])CC1 257832428 573573302 /nfs/dbraw/zinc/57/33/02/573573302.db2.gz JSYWJHBQGAONDY-SECBINFHSA-N 0 0 189.230 1.141 10 0 ADAERN C[C@@H](NOC(C)(C)C)[C@H]1CCCO1 393537477 573573308 /nfs/dbraw/zinc/57/33/08/573573308.db2.gz JXKXEUDPDZWYDS-RKDXNWHRSA-N 0 0 187.283 1.874 10 0 ADAERN C[C@H](CC(=O)[O-])[NH+]1CC2(CCC2)C1 86683642 573573315 /nfs/dbraw/zinc/57/33/15/573573315.db2.gz RSLFKHRFTFZTAF-MRVPVSSYSA-N 0 0 183.251 1.336 10 0 ADAERN CC1C[NH+]([C@@H]2CCCC[C@@H]2C(=O)[O-])C1 86685720 573573322 /nfs/dbraw/zinc/57/33/22/573573322.db2.gz CENOVWCDCOVZMJ-VHSXEESVSA-N 0 0 197.278 1.582 10 0 ADAERN CCCc1nc(CO)sc1C 259113658 573573325 /nfs/dbraw/zinc/57/33/25/573573325.db2.gz GFWXVBQJINCJHL-UHFFFAOYSA-N 0 0 171.265 1.896 10 0 ADAERN CC1(C)C[NH+]([C@@H]2CC[C@H](C(=O)[O-])C2)C1 86686440 573573346 /nfs/dbraw/zinc/57/33/46/573573346.db2.gz BTNIKJUUMAYWSJ-DTWKUNHWSA-N 0 0 197.278 1.582 10 0 ADAERN CC(C)Cc1ccnc(CO)n1 259113897 573573349 /nfs/dbraw/zinc/57/33/49/573573349.db2.gz OZNJTAMFNUYRSO-UHFFFAOYSA-N 0 0 166.224 1.167 10 0 ADAERN CC1(C)C[NH+](C(C)(C)C(=O)[O-])C1 86684301 573573357 /nfs/dbraw/zinc/57/33/57/573573357.db2.gz VYICLDAGCBRACR-UHFFFAOYSA-N 0 0 171.240 1.191 10 0 ADAERN CC1=CC[C@H]([C@]2(C)CO2)C[C@@H]1O 59898234 573573360 /nfs/dbraw/zinc/57/33/60/573573360.db2.gz KHUGQCWYYOUPSO-GUBZILKMSA-N 0 0 168.236 1.493 10 0 ADAERN CN1Cc2nn(C3CCC3)c(N)c2C1 257832477 573573362 /nfs/dbraw/zinc/57/33/62/573573362.db2.gz JUSSJJPEWUAXPY-UHFFFAOYSA-N 0 0 192.266 1.136 10 0 ADAERN C[C@@H]1CC[N@@H+]1C(C)(C)C(C)(C)C(=O)[O-] 86686070 573573363 /nfs/dbraw/zinc/57/33/63/573573363.db2.gz VLIDGJHEXAMOSZ-MRVPVSSYSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1CC[N@@H+]1C(C)(C)CC(=O)[O-] 86685587 573573380 /nfs/dbraw/zinc/57/33/80/573573380.db2.gz XEIYSBNYZCUFKM-ZETCQYMHSA-N 0 0 171.240 1.334 10 0 ADAERN CCS(=O)(=O)C1CCCC1 114571236 573573415 /nfs/dbraw/zinc/57/34/15/573573415.db2.gz ARZBHCRIGOZTDT-UHFFFAOYSA-N 0 0 162.254 1.364 10 0 ADAERN CC1(c2nc(N)n[nH]2)CCSCC1 258064600 573573426 /nfs/dbraw/zinc/57/34/26/573573426.db2.gz KYHRWAUAADKIFH-UHFFFAOYSA-N 0 0 198.295 1.172 10 0 ADAERN C[C@@H]1[C@@H](O)CCN1c1ccccc1 238444412 573573467 /nfs/dbraw/zinc/57/34/67/573573467.db2.gz FNCJHTVMBUDYIU-KOLCDFICSA-N 0 0 177.247 1.646 10 0 ADAERN C[C@H](O)c1ccnc([C@H](C)O)c1 238443968 573573474 /nfs/dbraw/zinc/57/34/74/573573474.db2.gz IXPKPXBIGFYDAB-BQBZGAKWSA-N 0 0 167.208 1.188 10 0 ADAERN COc1ccc([C@H]2CCSC2)nn1 259513434 573573479 /nfs/dbraw/zinc/57/34/79/573573479.db2.gz SADKIALCEYOFBC-ZETCQYMHSA-N 0 0 196.275 1.706 10 0 ADAERN COc1cc(N)ccc1N1CC[C@@H]1C 86687436 573573496 /nfs/dbraw/zinc/57/34/96/573573496.db2.gz ACVMCGWSBCBTSX-QMMMGPOBSA-N 0 0 192.262 1.876 10 0 ADAERN C[C@@H]1CCC(=O)C[C@@]1(C)[C@@H]1CO1 238433457 573573502 /nfs/dbraw/zinc/57/35/02/573573502.db2.gz SUNODKJWJLGIOW-FKTZTGRPSA-N 0 0 168.236 1.781 10 0 ADAERN O=C([O-])[C@H]1C=C[C@@H]([NH+]2CCCCC2)C1 86687140 573573503 /nfs/dbraw/zinc/57/35/03/573573503.db2.gz XLPKSKJYVXDIJP-VHSXEESVSA-N 0 0 195.262 1.502 10 0 ADAERN CCCC[C@@H]1C(=O)N[C@H]1C 211921256 573573508 /nfs/dbraw/zinc/57/35/08/573573508.db2.gz XZNVBGWCLFTRNV-BQBZGAKWSA-N 0 0 141.214 1.311 10 0 ADAERN CC[N@@H+]1CC[C@@H]([C@@H](F)CC(=O)[O-])C1 257829734 573573513 /nfs/dbraw/zinc/57/35/13/573573513.db2.gz IVAVTWNVLYMAFY-SFYZADRCSA-N 0 0 189.230 1.141 10 0 ADAERN COc1cc(N)ccc1N1CC[C@H]1C 86687434 573573515 /nfs/dbraw/zinc/57/35/15/573573515.db2.gz ACVMCGWSBCBTSX-MRVPVSSYSA-N 0 0 192.262 1.876 10 0 ADAERN CC(C)[C@@H](C)N1Cc2cncnc2C1 585332262 573573525 /nfs/dbraw/zinc/57/35/25/573573525.db2.gz PBAIDENGTLPLHU-SECBINFHSA-N 0 0 191.278 1.837 10 0 ADAERN C[C@@H]1CC[N@@H+]1[C@H]1C=C[C@@H](C(=O)[O-])C1 86687158 573573526 /nfs/dbraw/zinc/57/35/26/573573526.db2.gz MRHUFRWBZBLMDJ-HLTSFMKQSA-N 0 0 181.235 1.110 10 0 ADAERN O=Cc1nn(C2CCC2)c2c1COC2 257832447 573573541 /nfs/dbraw/zinc/57/35/41/573573541.db2.gz JUBKUOAZDSOCBB-UHFFFAOYSA-N 0 0 192.218 1.451 10 0 ADAERN C[C@H](ON)C1CCSCC1 259513399 573573548 /nfs/dbraw/zinc/57/35/48/573573548.db2.gz RYNJNJXTFUUETA-LURJTMIESA-N 0 0 161.270 1.408 10 0 ADAERN CCOc1c(OC)ccnc1C=O 257832413 573573581 /nfs/dbraw/zinc/57/35/81/573573581.db2.gz KCKWNNOMYWUCIL-UHFFFAOYSA-N 0 0 181.191 1.301 10 0 ADAERN CCCC(=O)O[C@H](C)C(F)F 220816143 573573600 /nfs/dbraw/zinc/57/36/00/573573600.db2.gz OPVOKKWTLGVQAC-RXMQYKEDSA-N 0 0 166.167 1.983 10 0 ADAERN C[NH+]1CCC([C@](C)(F)C(=O)[O-])CC1 257832429 573573607 /nfs/dbraw/zinc/57/36/07/573573607.db2.gz JSYWJHBQGAONDY-VIFPVBQESA-N 0 0 189.230 1.141 10 0 ADAERN Nc1ccc([C@@H](O)[C@H]2CCOC2)cc1 236367555 573573613 /nfs/dbraw/zinc/57/36/13/573573613.db2.gz HTRQVXYSSULZIB-GXSJLCMTSA-N 0 0 193.246 1.339 10 0 ADAERN C[C@@H](C[NH+]1CC2(CCC2)C1)C(=O)[O-] 86684690 573573638 /nfs/dbraw/zinc/57/36/38/573573638.db2.gz XKYSZZDIWQSKEZ-QMMMGPOBSA-N 0 0 183.251 1.193 10 0 ADAERN Nc1nc(-n2ccnc2)c(F)cc1F 236365790 573573661 /nfs/dbraw/zinc/57/36/61/573573661.db2.gz ZVDTYUVDZDASJM-UHFFFAOYSA-N 0 0 196.160 1.128 10 0 ADAERN CCOC(=O)C1(C2CCCC2)COC1 258783375 573573674 /nfs/dbraw/zinc/57/36/74/573573674.db2.gz VCOFRGIFXIWFHF-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN CN(CC(C)(C)CO)c1ccccn1 258782859 573573713 /nfs/dbraw/zinc/57/37/13/573573713.db2.gz IRWKOHZPFRKXMA-UHFFFAOYSA-N 0 0 194.278 1.536 10 0 ADAERN C[NH+](C)C[C@H]1CCC[C@H]1C(=O)[O-] 86686409 573573715 /nfs/dbraw/zinc/57/37/15/573573715.db2.gz SHONHOQQIUDYER-HTQZYQBOSA-N 0 0 171.240 1.049 10 0 ADAERN CCOC(=O)/C=C\CC/C=C\[C@@H](C)O 308635108 573573716 /nfs/dbraw/zinc/57/37/16/573573716.db2.gz YBHVUGSFLGPWBK-DKQPZJSGSA-N 0 0 198.262 1.823 10 0 ADAERN CC(C)C[C@H]1OC[C@@H](C(C)C)NC1=O 224342706 573573720 /nfs/dbraw/zinc/57/37/20/573573720.db2.gz UADJCBLXIUUDDQ-VHSXEESVSA-N 0 0 199.294 1.572 10 0 ADAERN CC1CN(c2ccc(F)cc2N)C1 86687530 573573722 /nfs/dbraw/zinc/57/37/22/573573722.db2.gz LXDMJVPNNNTSTI-UHFFFAOYSA-N 0 0 180.226 1.864 10 0 ADAERN CC(C)[NH2+][C@H]1C=C[C@@H](C(=O)[O-])C1 86687099 573573734 /nfs/dbraw/zinc/57/37/34/573573734.db2.gz RHJMAUUYWHIKKV-SFYZADRCSA-N 0 0 169.224 1.014 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[NH+]1CC2(CCC2)C1 86683318 573573742 /nfs/dbraw/zinc/57/37/42/573573742.db2.gz JYZITPMYHVKEIY-SECBINFHSA-N 0 0 197.278 1.582 10 0 ADAERN CC1C[NH+]([C@H]2CC[C@H](C(=O)[O-])C2)C1 86686470 573573769 /nfs/dbraw/zinc/57/37/69/573573769.db2.gz UTBYMPSAAHERMX-IUCAKERBSA-N 0 0 183.251 1.191 10 0 ADAERN COc1ccc([C@@H]2CCSC2)nn1 259513433 573573790 /nfs/dbraw/zinc/57/37/90/573573790.db2.gz SADKIALCEYOFBC-SSDOTTSWSA-N 0 0 196.275 1.706 10 0 ADAERN COC(=O)[C@@H](ON)c1cccc(C)c1 257832484 573573791 /nfs/dbraw/zinc/57/37/91/573573791.db2.gz JVEIQFDEDGQHLQ-VIFPVBQESA-N 0 0 195.218 1.099 10 0 ADAERN CC1(C)C[NH+]([C@H](C(=O)[O-])C2CC2)C1 86684728 573573794 /nfs/dbraw/zinc/57/37/94/573573794.db2.gz UPIJZZSNMBXYKH-QMMMGPOBSA-N 0 0 183.251 1.191 10 0 ADAERN Cc1[nH]c([C@H]2CCSC2)nc1C=O 258064708 573573795 /nfs/dbraw/zinc/57/37/95/573573795.db2.gz KYZMMCNLFOCKBG-ZETCQYMHSA-N 0 0 196.275 1.751 10 0 ADAERN CCOC(=O)c1cnc(CC)c(F)c1 238272100 573573801 /nfs/dbraw/zinc/57/38/01/573573801.db2.gz FKSKFFGOQLDHMG-UHFFFAOYSA-N 0 0 197.209 1.960 10 0 ADAERN O=C([O-])[C@@H]1C=C[C@H]([NH+]2CC3(CC3)C2)C1 86687214 573573802 /nfs/dbraw/zinc/57/38/02/573573802.db2.gz LTHYYDWBZATUHC-BDAKNGLRSA-N 0 0 193.246 1.112 10 0 ADAERN COc1cc(O)c(C)c(C)c1O 145287268 573576955 /nfs/dbraw/zinc/57/69/55/573576955.db2.gz IKAWHIYZLXRQJS-UHFFFAOYSA-N 0 0 168.192 1.723 10 0 ADAERN CN(C)CC(=O)c1ccsc1 78677320 573576964 /nfs/dbraw/zinc/57/69/64/573576964.db2.gz CTKLRODEOJZJAK-UHFFFAOYSA-N 0 0 169.249 1.492 10 0 ADAERN C[C@@]12CC[C@@H](C1)[C@@H]2CO 238445013 573576966 /nfs/dbraw/zinc/57/69/66/573576966.db2.gz JTRHASDLGBZSNQ-BIIVOSGPSA-N 0 0 126.199 1.415 10 0 ADAERN COCCC(C)(C)C(N)=S 83638328 573577028 /nfs/dbraw/zinc/57/70/28/573577028.db2.gz MIHCYQWHWMJELY-UHFFFAOYSA-N 0 0 161.270 1.335 10 0 ADAERN CC(=O)[C@@H]1C[C@H](O)[C@@H](C)[C@@H]1C 238445123 573577044 /nfs/dbraw/zinc/57/70/44/573577044.db2.gz VKODFQUXGAFGKR-ITFKJWCVSA-N 0 0 156.225 1.228 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@@H](CO)C1(C)C 238444493 573577057 /nfs/dbraw/zinc/57/70/57/573577057.db2.gz FBWLNXWCAHLWSJ-VGMNWLOBSA-N 0 0 172.268 1.412 10 0 ADAERN C[C@H](O)c1cncc([C@H](C)O)c1 238444492 573577114 /nfs/dbraw/zinc/57/71/14/573577114.db2.gz TZHYMSJKWBMTHL-BQBZGAKWSA-N 0 0 167.208 1.188 10 0 ADAERN C[C@H]1C(=O)[C@H]1c1ccccc1 238444529 573577121 /nfs/dbraw/zinc/57/71/21/573577121.db2.gz GQQVUEVRXRWUDL-VXNVDRBHSA-N 0 0 146.189 1.989 10 0 ADAERN CC(=O)c1c(N)sc2c1COCC2 75464121 573577178 /nfs/dbraw/zinc/57/71/78/573577178.db2.gz XKWIRNXDQRNMBI-UHFFFAOYSA-N 0 0 197.259 1.606 10 0 ADAERN COc1c(C)ccc2c1C(=O)CCO2 238445044 573577182 /nfs/dbraw/zinc/57/71/82/573577182.db2.gz BPFUSPIKGFHCCE-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN Cc1cc(F)ccc1C(=O)CN(C)C 78676890 573577233 /nfs/dbraw/zinc/57/72/33/573577233.db2.gz KHYILVQILGVUDE-UHFFFAOYSA-N 0 0 195.237 1.878 10 0 ADAERN Nc1ccc(C(F)(F)CO)cc1 257832978 573577339 /nfs/dbraw/zinc/57/73/39/573577339.db2.gz KGHGPLGFMLZYRZ-UHFFFAOYSA-N 0 0 173.162 1.353 10 0 ADAERN Cc1c([C@H](C)O)cncc1[C@H](C)O 238444506 573577340 /nfs/dbraw/zinc/57/73/40/573577340.db2.gz DVAGABDUDVZNIQ-YUMQZZPRSA-N 0 0 181.235 1.497 10 0 ADAERN O[C@H](c1ccc(F)cn1)c1ccco1 86705092 573577380 /nfs/dbraw/zinc/57/73/80/573577380.db2.gz PRAFISOBWIXIBM-SNVBAGLBSA-N 0 0 193.177 1.895 10 0 ADAERN CO[C@](C)(CO)Cc1cccc(O)c1 257833070 573577387 /nfs/dbraw/zinc/57/73/87/573577387.db2.gz JZUKPVNNBMOUJY-NSHDSACASA-N 0 0 196.246 1.332 10 0 ADAERN CC(C)[C@@H](O)c1ccc(F)cn1 86704800 573577388 /nfs/dbraw/zinc/57/73/88/573577388.db2.gz FEIJBIAJRQILKC-SECBINFHSA-N 0 0 169.199 1.910 10 0 ADAERN COc1cccc(C[C@H](CO)OC)c1 257833040 573577417 /nfs/dbraw/zinc/57/74/17/573577417.db2.gz JXVRJOCOVVVCHT-LLVKDONJSA-N 0 0 196.246 1.245 10 0 ADAERN C[C@H]1C=CC[C@H]2C(=O)CCC(=O)[C@@H]12 238444827 573577493 /nfs/dbraw/zinc/57/74/93/573577493.db2.gz BBDIRBXBKPLVSE-LAEOZQHASA-N 0 0 178.231 1.747 10 0 ADAERN CCC[C@H](F)c1cc(=O)[nH]cn1 144398473 573577510 /nfs/dbraw/zinc/57/75/10/573577510.db2.gz IFYSSACPLJDNOT-LURJTMIESA-N 0 0 170.187 1.581 10 0 ADAERN O=Cc1nc2ncccc2n1CF 95931146 573577522 /nfs/dbraw/zinc/57/75/22/573577522.db2.gz WLAHLOWKHYDFCG-UHFFFAOYSA-N 0 0 179.154 1.171 10 0 ADAERN CC(=O)CCC1(c2ccco2)COC1 258794931 573577529 /nfs/dbraw/zinc/57/75/29/573577529.db2.gz WDLNUKZAYDRWEC-UHFFFAOYSA-N 0 0 194.230 1.917 10 0 ADAERN CCN(C)c1ccc(C(C)=O)cn1 124665180 573577531 /nfs/dbraw/zinc/57/75/31/573577531.db2.gz GHDBCTQAJOIESU-UHFFFAOYSA-N 0 0 178.235 1.740 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCCCC12CC2 107404641 573577555 /nfs/dbraw/zinc/57/75/55/573577555.db2.gz DHGKFSRJZBLLMT-VIFPVBQESA-N 0 0 169.224 1.123 10 0 ADAERN Cc1cc2ccccn2c1NN 259517667 573577557 /nfs/dbraw/zinc/57/75/57/573577557.db2.gz PIWQJIWNWJAKGX-UHFFFAOYSA-N 0 0 161.208 1.533 10 0 ADAERN COc1cc(C=O)c(C)c(C)c1O 257832964 573577575 /nfs/dbraw/zinc/57/75/75/573577575.db2.gz KFUADMMVJHJGEZ-UHFFFAOYSA-N 0 0 180.203 1.830 10 0 ADAERN Cc1cc(O)c(C=O)c(F)c1 144426220 573577583 /nfs/dbraw/zinc/57/75/83/573577583.db2.gz GHAYIRTWESUCAC-UHFFFAOYSA-N 0 0 154.140 1.652 10 0 ADAERN C[C@@H]1CCCC(C)(C)CNC1=O 238445042 573577604 /nfs/dbraw/zinc/57/76/04/573577604.db2.gz SKAYUKKQLRLOFI-MRVPVSSYSA-N 0 0 169.268 1.949 10 0 ADAERN CC(=O)c1cc(C)sc1N 75464099 573577606 /nfs/dbraw/zinc/57/76/06/573577606.db2.gz VIJVNYYOGCBDEC-UHFFFAOYSA-N 0 0 155.222 1.841 10 0 ADAERN Cn1nc(C=O)c2c(F)cccc21 107409376 573584262 /nfs/dbraw/zinc/58/42/62/573584262.db2.gz BQNVZRSHJXHUEF-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN C[C@H]1CC[C@H](CNC(N)=O)C1(C)C 238442245 573584273 /nfs/dbraw/zinc/58/42/73/573584273.db2.gz DCBGTQCATODTAJ-JGVFFNPUSA-N 0 0 184.283 1.727 10 0 ADAERN C[N@@H+]1CCC/C(=C(\F)C(=O)[O-])CC1 86717176 573584303 /nfs/dbraw/zinc/58/43/03/573584303.db2.gz RHUFVBPYJJQTKA-BQYQJAHWSA-N 0 0 187.214 1.410 10 0 ADAERN C[C@H]1C[C@@H](NCCC2CCC2)C(=O)O1 308639075 573584314 /nfs/dbraw/zinc/58/43/14/573584314.db2.gz DFHCEMKYHXSGIV-WCBMZHEXSA-N 0 0 197.278 1.470 10 0 ADAERN CN(CCO)c1ccc2c(c1)CCC2 259114507 573584322 /nfs/dbraw/zinc/58/43/22/573584322.db2.gz VNJHVCGAMULALT-UHFFFAOYSA-N 0 0 191.274 1.604 10 0 ADAERN CNOCCC[C@H]1CCCCO1 258066365 573584329 /nfs/dbraw/zinc/58/43/29/573584329.db2.gz VNHNZQVFVMBZQH-SECBINFHSA-N 0 0 173.256 1.487 10 0 ADAERN COc1cc(CC[C@H](C)O)c(F)cn1 308637847 573584336 /nfs/dbraw/zinc/58/43/36/573584336.db2.gz BPHAEFINVQVMBT-ZETCQYMHSA-N 0 0 199.225 1.543 10 0 ADAERN Cc1cccc2c(C=O)nn(C)c12 107407344 573584364 /nfs/dbraw/zinc/58/43/64/573584364.db2.gz DCTKEWNTIIZKBV-UHFFFAOYSA-N 0 0 174.203 1.694 10 0 ADAERN OCC[C@H]1Cc2c(O)cccc2S1 258066106 573584368 /nfs/dbraw/zinc/58/43/68/573584368.db2.gz GNHFNLLWQRUVOZ-ZETCQYMHSA-N 0 0 196.271 1.791 10 0 ADAERN C[C@H](O)COc1cncc(Cl)c1 83676667 573584381 /nfs/dbraw/zinc/58/43/81/573584381.db2.gz IHPPQTQXQRAYJB-LURJTMIESA-N 0 0 187.626 1.495 10 0 ADAERN COC(=O)c1cc(F)cc2c1NCC2 259520000 573584406 /nfs/dbraw/zinc/58/44/06/573584406.db2.gz QHOTUDZTUMVSPK-UHFFFAOYSA-N 0 0 195.193 1.580 10 0 ADAERN Cc1nccn1-c1nccn2nccc12 130445058 573583637 /nfs/dbraw/zinc/58/36/37/573583637.db2.gz YJNLTXWBJPZDOI-UHFFFAOYSA-N 0 0 199.217 1.223 10 0 ADAERN C[C@H](O)COc1cccnc1Cl 83676981 573583657 /nfs/dbraw/zinc/58/36/57/573583657.db2.gz DPWLFOXAWGTASS-LURJTMIESA-N 0 0 187.626 1.495 10 0 ADAERN O=C1N[C@@H](C[C@H]2CCCS2)CO1 258066474 573583660 /nfs/dbraw/zinc/58/36/60/573583660.db2.gz AUPJJCZIGUWNHK-NKWVEPMBSA-N 0 0 187.264 1.381 10 0 ADAERN Nc1ccnc(-c2ccc(F)cn2)n1 86707143 573583676 /nfs/dbraw/zinc/58/36/76/573583676.db2.gz DZQHBZSGDBOOKL-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN C[NH2+][C@H](CC(C)C)[C@H](C)C(=O)[O-] 259115688 573583679 /nfs/dbraw/zinc/58/36/79/573583679.db2.gz AZODDYBCHUKHEI-JGVFFNPUSA-N 0 0 173.256 1.341 10 0 ADAERN C[C@@H](C[C@H]([NH3+])c1cccs1)C(=O)[O-] 259516684 573583682 /nfs/dbraw/zinc/58/36/82/573583682.db2.gz VMVMHVPCAGWWJO-BQBZGAKWSA-N 0 0 199.275 1.859 10 0 ADAERN Cc1ccc(N)c(C)c1OC[C@H](C)O 83676111 573583702 /nfs/dbraw/zinc/58/37/02/573583702.db2.gz RLCKCOMGALMISX-QMMMGPOBSA-N 0 0 195.262 1.645 10 0 ADAERN CCC(O)(CC)[C@@H]1CCCOC1 224949655 573583707 /nfs/dbraw/zinc/58/37/07/573583707.db2.gz MAUDLTDOTSKAGT-SECBINFHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H](O)C[C@@H](O)C1CCCC1 144453932 573583728 /nfs/dbraw/zinc/58/37/28/573583728.db2.gz DLOJUWMSCWTFFJ-IONNQARKSA-N 0 0 158.241 1.308 10 0 ADAERN C[C@H]1C[C@H](NC(=O)C(C)(C)C)C=CO1 238442465 573583742 /nfs/dbraw/zinc/58/37/42/573583742.db2.gz WBDOHXYDQYTKRP-DTWKUNHWSA-N 0 0 197.278 1.840 10 0 ADAERN CC(C(=O)[O-])=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 86716554 573583761 /nfs/dbraw/zinc/58/37/61/573583761.db2.gz JRBRTXSDKFKLGV-AOOOYVTPSA-N 0 0 195.262 1.644 10 0 ADAERN CC[C@@](C)(O)[C@@H]1CCCOC1 224949484 573583762 /nfs/dbraw/zinc/58/37/62/573583762.db2.gz POYHHAQIHILDFW-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CCOC(=O)C1(c2ccco2)COC1 258806122 573583768 /nfs/dbraw/zinc/58/37/68/573583768.db2.gz XHTYLVMMYAMNHG-UHFFFAOYSA-N 0 0 196.202 1.111 10 0 ADAERN CO[C@H]1CCC[C@H]1Nc1ncns1 83668289 573583770 /nfs/dbraw/zinc/58/37/70/573583770.db2.gz OQIQWDKMQVZBEG-RQJHMYQMSA-N 0 0 199.279 1.518 10 0 ADAERN CC(C)c1ccc([C@H](N)NN)cc1 259519620 573583774 /nfs/dbraw/zinc/58/37/74/573583774.db2.gz SDABVWUSOJAVIH-SNVBAGLBSA-N 0 0 179.267 1.231 10 0 ADAERN Nc1cc(-c2ccco2)cc(=O)[nH]1 258807123 573583776 /nfs/dbraw/zinc/58/37/76/573583776.db2.gz STXFQGYNAAAVNG-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN O=C1NC[C@@H](Cc2cccs2)O1 258066414 573583793 /nfs/dbraw/zinc/58/37/93/573583793.db2.gz AULLYMJKIIYURN-ZCFIWIBFSA-N 0 0 183.232 1.399 10 0 ADAERN C[C@@H](O)c1csc(Cl)n1 144428236 573583798 /nfs/dbraw/zinc/58/37/98/573583798.db2.gz FTWKEFDYOYGLGA-GSVOUGTGSA-N 0 0 163.629 1.850 10 0 ADAERN CCC[C@H]([NH3+])CC(C)(C)C(=O)[O-] 259115368 573583808 /nfs/dbraw/zinc/58/38/08/573583808.db2.gz BRVRNHQRMUAVCB-ZETCQYMHSA-N 0 0 173.256 1.615 10 0 ADAERN CC[C@@](C)(O)CNc1ncns1 83669674 573583814 /nfs/dbraw/zinc/58/38/14/573583814.db2.gz VINUYOUJIWNBDZ-SSDOTTSWSA-N 0 0 187.268 1.111 10 0 ADAERN CC[N@@H+]1CCC/C(=C(\C)C(=O)[O-])CC1 86716653 573583817 /nfs/dbraw/zinc/58/38/17/573583817.db2.gz WVXMSUBKDQQENZ-KTKRTIGZSA-N 0 0 197.278 1.893 10 0 ADAERN c1nsc(NC[C@@H]2CCCOC2)n1 83653720 573583836 /nfs/dbraw/zinc/58/38/36/573583836.db2.gz UHMMSNJDEBHZKK-ZETCQYMHSA-N 0 0 199.279 1.377 10 0 ADAERN C/C(C(=O)[O-])=C1\CCC[N@@H+](C)CC1 86716791 573583843 /nfs/dbraw/zinc/58/38/43/573583843.db2.gz MLSZWOWMVQQWHO-HJWRWDBZSA-N 0 0 183.251 1.503 10 0 ADAERN CC[N@@H+]1CCC[C@H]([C@@H](C)C(=O)[O-])CC1 86717446 573583879 /nfs/dbraw/zinc/58/38/79/573583879.db2.gz XUSXFYKBTYXCFP-ZJUUUORDSA-N 0 0 199.294 1.829 10 0 ADAERN COC(=O)CC[C@@H]1CC[C@H](C)OC1 259615529 573583899 /nfs/dbraw/zinc/58/38/99/573583899.db2.gz NBEVHYCLMOKUPA-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN O=Cc1c[nH]c(-c2ccc(F)cn2)n1 86708536 573583902 /nfs/dbraw/zinc/58/39/02/573583902.db2.gz QPJXIPVGHPPDPW-UHFFFAOYSA-N 0 0 191.165 1.423 10 0 ADAERN CO[C@@H]1CCC[C@@H]1Nc1ncns1 83668283 573583912 /nfs/dbraw/zinc/58/39/12/573583912.db2.gz OQIQWDKMQVZBEG-NKWVEPMBSA-N 0 0 199.279 1.518 10 0 ADAERN c1nsc(NCC[C@@H]2CCCO2)n1 83653908 573583918 /nfs/dbraw/zinc/58/39/18/573583918.db2.gz RLXNOXRWFDXBQY-ZETCQYMHSA-N 0 0 199.279 1.519 10 0 ADAERN COc1[nH]c(-c2ccc[nH]2)cc1C=O 238442246 573583927 /nfs/dbraw/zinc/58/39/27/573583927.db2.gz UHPGNBIPNWQQPW-UHFFFAOYSA-N 0 0 190.202 1.831 10 0 ADAERN C[C@@H](O)[C@@]1(C)CCCC1=O 238441604 573583941 /nfs/dbraw/zinc/58/39/41/573583941.db2.gz VIOKPHWGSVYQAK-HTRCEHHLSA-N 0 0 142.198 1.127 10 0 ADAERN CCCc1c[nH]c(C(C)(C)O)n1 259115682 573583958 /nfs/dbraw/zinc/58/39/58/573583958.db2.gz PMLNVLSHGOTFDG-UHFFFAOYSA-N 0 0 168.240 1.590 10 0 ADAERN C/C(C(=O)[O-])=C1\CC[N@@H+](C(C)C)C1 86716727 573583959 /nfs/dbraw/zinc/58/39/59/573583959.db2.gz QLLHIBPSNBRXFT-HJWRWDBZSA-N 0 0 183.251 1.502 10 0 ADAERN CC[C@@H](C)c1nnc(CN(C)C)o1 308402745 573583974 /nfs/dbraw/zinc/58/39/74/573583974.db2.gz HWCGTUXUPXAQFB-SSDOTTSWSA-N 0 0 183.255 1.645 10 0 ADAERN CC(C)[N@@H+]1CC[C@H]([C@@H](C)C(=O)[O-])C1 86717516 573583982 /nfs/dbraw/zinc/58/39/82/573583982.db2.gz ZNMGQUJGIKIFFY-BDAKNGLRSA-N 0 0 185.267 1.437 10 0 ADAERN O=C1N[C@H](C[C@@H]2CCCS2)CO1 258066483 573583983 /nfs/dbraw/zinc/58/39/83/573583983.db2.gz AUPJJCZIGUWNHK-RQJHMYQMSA-N 0 0 187.264 1.381 10 0 ADAERN CC[C@@H]1[C@H](C)[C@H]1C(=O)OC 259518276 573584021 /nfs/dbraw/zinc/58/40/21/573584021.db2.gz CVKWZSJXSXRTAE-RRKCRQDMSA-N 0 0 142.198 1.452 10 0 ADAERN COc1c[nH]c(CO)c1Cl 238442461 573584028 /nfs/dbraw/zinc/58/40/28/573584028.db2.gz HOYAGCSTQCKJKZ-UHFFFAOYSA-N 0 0 161.588 1.169 10 0 ADAERN C[C@@H]1C(=O)[C@@](C)(Cl)[C@@H]1C 238442455 573584034 /nfs/dbraw/zinc/58/40/34/573584034.db2.gz BXPKOOSIIKPEPO-BFHQHQDPSA-N 0 0 146.617 1.839 10 0 ADAERN c1nsc(NCC[C@H]2CCCO2)n1 83653909 573584038 /nfs/dbraw/zinc/58/40/38/573584038.db2.gz RLXNOXRWFDXBQY-SSDOTTSWSA-N 0 0 199.279 1.519 10 0 ADAERN C[C@@H](C[NH2+]Cc1cc[nH]c1)CC(=O)[O-] 258797055 573584050 /nfs/dbraw/zinc/58/40/50/573584050.db2.gz DAHAHZNRJARGEE-MRVPVSSYSA-N 0 0 196.250 1.215 10 0 ADAERN COc1c[nH]cc1[C@@H](N)C(F)(F)F 238442881 573584054 /nfs/dbraw/zinc/58/40/54/573584054.db2.gz UDIQHTIINHWFQE-ZCFIWIBFSA-N 0 0 194.156 1.585 10 0 ADAERN C/C=C(\C)[C@](C)(O)[C@@H](C)O 78924971 573584111 /nfs/dbraw/zinc/58/41/11/573584111.db2.gz HKJVQJZRSBGPRA-KTERXBQFSA-N 0 0 144.214 1.084 10 0 ADAERN Cc1ccn(-c2nccn3nccc23)n1 130449291 573584136 /nfs/dbraw/zinc/58/41/36/573584136.db2.gz WAQPFXQBRXWNEL-UHFFFAOYSA-N 0 0 199.217 1.223 10 0 ADAERN C[C@@H](C(=O)[O-])[C@@H]1C[NH+]2CCC1CC2 86717570 573584147 /nfs/dbraw/zinc/58/41/47/573584147.db2.gz SBNKZBKKMSUKSU-APPZFPTMSA-N 0 0 183.251 1.049 10 0 ADAERN C[C@@H](O)COc1ccc(N)c(F)c1 83676107 573584151 /nfs/dbraw/zinc/58/41/51/573584151.db2.gz PCVPYDOEZKYVSL-ZCFIWIBFSA-N 0 0 185.198 1.168 10 0 ADAERN COc1nccc(-c2cc[nH]c2)n1 259116338 573584180 /nfs/dbraw/zinc/58/41/80/573584180.db2.gz PEHFNLRIYUWBCJ-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN C[C@H](C[C@@H]([NH3+])c1cccs1)C(=O)[O-] 259516688 573584201 /nfs/dbraw/zinc/58/42/01/573584201.db2.gz VMVMHVPCAGWWJO-RNFRBKRXSA-N 0 0 199.275 1.859 10 0 ADAERN Cc1cc(C[C@@H]2COC[C@H]2O)cs1 687984712 573584208 /nfs/dbraw/zinc/58/42/08/573584208.db2.gz YTGMXSANFRKBTB-NXEZZACHSA-N 0 0 198.287 1.606 10 0 ADAERN Cc1ccc(N)cc1OC[C@@H](C)O 83676083 573585783 /nfs/dbraw/zinc/58/57/83/573585783.db2.gz UNZBZIXYPIMMHT-MRVPVSSYSA-N 0 0 181.235 1.337 10 0 ADAERN CC(C)[N@@H+]1CC/C(=C(\F)C(=O)[O-])C1 86717096 573585786 /nfs/dbraw/zinc/58/57/86/573585786.db2.gz MMFLOHHBFARQFT-BQYQJAHWSA-N 0 0 187.214 1.409 10 0 ADAERN C[C@@H](O)CN1CCc2c(N)cccc21 83677072 573585804 /nfs/dbraw/zinc/58/58/04/573585804.db2.gz SSVHCNWAKUTNBR-MRVPVSSYSA-N 0 0 192.262 1.012 10 0 ADAERN CCOC(=O)[C@H]1C[C@@H]2COC[C@@H]2C1 259518234 573585821 /nfs/dbraw/zinc/58/58/21/573585821.db2.gz CVDOSMMZESOVCZ-AYMMMOKOSA-N 0 0 184.235 1.222 10 0 ADAERN CCC[C@H](C)C1(C(=O)[O-])CC[NH2+]CC1 308403650 573585834 /nfs/dbraw/zinc/58/58/34/573585834.db2.gz FVJJRYNFVQQINS-VIFPVBQESA-N 0 0 199.294 1.877 10 0 ADAERN COc1c[nH]c([C@@H](N)C(F)(F)F)c1 238442542 573585835 /nfs/dbraw/zinc/58/58/35/573585835.db2.gz DOTWXKFSUVSEQE-ZCFIWIBFSA-N 0 0 194.156 1.585 10 0 ADAERN CC[C@](C)(CO)Nc1ncns1 83669378 573585847 /nfs/dbraw/zinc/58/58/47/573585847.db2.gz LLXVUCMKWUPJEC-SSDOTTSWSA-N 0 0 187.268 1.111 10 0 ADAERN Cc1ccc([C@H](C)O)c(O)c1F 258066712 573585859 /nfs/dbraw/zinc/58/58/59/573585859.db2.gz TVNNTSFSPTZKSH-LURJTMIESA-N 0 0 170.183 1.893 10 0 ADAERN FC(F)(F)CCNc1ncns1 83668737 573585868 /nfs/dbraw/zinc/58/58/68/573585868.db2.gz NZEDGZMYGCKTOM-UHFFFAOYSA-N 0 0 197.185 1.902 10 0 ADAERN CC(C)C(C)(C)CN[C@@H]1CCOC1=O 308637328 573585877 /nfs/dbraw/zinc/58/58/77/573585877.db2.gz CTWLUEGFLVUSMQ-SECBINFHSA-N 0 0 199.294 1.574 10 0 ADAERN C[C@@H](F)c1cnoc1 257833255 573585881 /nfs/dbraw/zinc/58/58/81/573585881.db2.gz KZCHXSMJNNESAN-SCSAIBSYSA-N 0 0 115.107 1.705 10 0 ADAERN C[C@H]1C(=O)[C@]2(C)CCC(=O)[C@H]1C2 238441833 573585886 /nfs/dbraw/zinc/58/58/86/573585886.db2.gz MWJHCINUNPJEIP-MATHAZKKSA-N 0 0 166.220 1.581 10 0 ADAERN CSCCNc1ncns1 83669031 573585890 /nfs/dbraw/zinc/58/58/90/573585890.db2.gz ZSAFPBJBLYOJHR-UHFFFAOYSA-N 0 0 175.282 1.313 10 0 ADAERN COc1c[nH]c(C)c1C(C)=O 238442387 573585925 /nfs/dbraw/zinc/58/59/25/573585925.db2.gz CGTXPHYJWAJECZ-UHFFFAOYSA-N 0 0 153.181 1.534 10 0 ADAERN CN1CCN(C)[C@H](c2ccco2)C1 258804228 573585927 /nfs/dbraw/zinc/58/59/27/573585927.db2.gz NNYFYROIQDWYJD-VIFPVBQESA-N 0 0 180.251 1.198 10 0 ADAERN C[C@@H]1C[C@H](NCCC2CCC2)C(=O)O1 308639070 573585935 /nfs/dbraw/zinc/58/59/35/573585935.db2.gz DFHCEMKYHXSGIV-SCZZXKLOSA-N 0 0 197.278 1.470 10 0 ADAERN C[C@H](O)COc1ccc(N)c(F)c1 83676106 573585939 /nfs/dbraw/zinc/58/59/39/573585939.db2.gz PCVPYDOEZKYVSL-LURJTMIESA-N 0 0 185.198 1.168 10 0 ADAERN Cc1cc(C[C@H]2COC[C@H]2O)cs1 687984719 573585946 /nfs/dbraw/zinc/58/59/46/573585946.db2.gz YTGMXSANFRKBTB-VHSXEESVSA-N 0 0 198.287 1.606 10 0 ADAERN c1nsc(NCc2cscn2)n1 83668956 573585950 /nfs/dbraw/zinc/58/59/50/573585950.db2.gz ZANKEFUGASFUCR-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN CCC(O)(CC)[C@H]1CCCOC1 224949699 573585960 /nfs/dbraw/zinc/58/59/60/573585960.db2.gz MAUDLTDOTSKAGT-VIFPVBQESA-N 0 0 172.268 1.964 10 0 ADAERN COC(=O)CC[C@@H]1CC[C@@H](C)OC1 259615521 573585977 /nfs/dbraw/zinc/58/59/77/573585977.db2.gz NBEVHYCLMOKUPA-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN COC[C@@H](C)CNc1ncns1 83668234 573586013 /nfs/dbraw/zinc/58/60/13/573586013.db2.gz MNRIPAOXBUHNOY-LURJTMIESA-N 0 0 187.268 1.233 10 0 ADAERN Cc1ccc(N)c(OC[C@@H](C)O)c1 83676037 573586040 /nfs/dbraw/zinc/58/60/40/573586040.db2.gz MPQMZOWVQFEXCQ-MRVPVSSYSA-N 0 0 181.235 1.337 10 0 ADAERN C[C@@H](O)COc1ccc(F)cc1N 83676135 573586046 /nfs/dbraw/zinc/58/60/46/573586046.db2.gz MUQJFDVNAVZEAL-ZCFIWIBFSA-N 0 0 185.198 1.168 10 0 ADAERN C[NH+]1CCC(=C(F)C(=O)[O-])CC1 86717012 573586080 /nfs/dbraw/zinc/58/60/80/573586080.db2.gz BFLQDALACQLHGW-UHFFFAOYSA-N 0 0 173.187 1.020 10 0 ADAERN Cc1cnc(NC=O)s1 78685001 573586083 /nfs/dbraw/zinc/58/60/83/573586083.db2.gz OTVUTKDCOVWZNQ-UHFFFAOYSA-N 0 0 142.183 1.020 10 0 in-vitro ADAERN CC(=O)c1nc(N)oc1C(C)C 258800752 573586089 /nfs/dbraw/zinc/58/60/89/573586089.db2.gz NFCKGCKLUCJYLB-UHFFFAOYSA-N 0 0 168.196 1.583 10 0 ADAERN Cc1cc(N)ncc1-c1nccn1C 86716469 573586106 /nfs/dbraw/zinc/58/61/06/573586106.db2.gz LOGQORRAFYIGQV-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)(C)[C@@H]1CCCNC1=O 144429072 573586107 /nfs/dbraw/zinc/58/61/07/573586107.db2.gz DVNHCPJNKKRXCM-SSDOTTSWSA-N 0 0 155.241 1.559 10 0 ADAERN CCCc1nsc(-n2cccn2)n1 83675967 573586144 /nfs/dbraw/zinc/58/61/44/573586144.db2.gz RUGPUKVZYDQDGE-UHFFFAOYSA-N 0 0 194.263 1.676 10 0 ADAERN C[NH+](C)[C@H](C1CCC1)C1(C(=O)[O-])CC1 259516648 573586155 /nfs/dbraw/zinc/58/61/55/573586155.db2.gz MNUZSXQDFRVFFK-SECBINFHSA-N 0 0 197.278 1.582 10 0 ADAERN Cc1cc(C[C@H]2COC[C@@H]2O)cs1 687984717 573586157 /nfs/dbraw/zinc/58/61/57/573586157.db2.gz YTGMXSANFRKBTB-UWVGGRQHSA-N 0 0 198.287 1.606 10 0 ADAERN Cc1cccc(OC[C@H](C)O)c1N 83676081 573586165 /nfs/dbraw/zinc/58/61/65/573586165.db2.gz KCGBYQDVHZRBTP-QMMMGPOBSA-N 0 0 181.235 1.337 10 0 ADAERN CCOC(=O)C1C[C@@H]2COC[C@H]2C1 259518241 573586215 /nfs/dbraw/zinc/58/62/15/573586215.db2.gz CVDOSMMZESOVCZ-RKDXNWHRSA-N 0 0 184.235 1.222 10 0 ADAERN O[C@H]1CCCC[C@H]1Nc1ncns1 83668443 573586226 /nfs/dbraw/zinc/58/62/26/573586226.db2.gz IPVTXPKSXLYOPP-RQJHMYQMSA-N 0 0 199.279 1.254 10 0 ADAERN CNc1nc(-c2ccc(F)cn2)no1 86707524 573586227 /nfs/dbraw/zinc/58/62/27/573586227.db2.gz KDPDVEYPQCZDSJ-UHFFFAOYSA-N 0 0 194.169 1.312 10 0 ADAERN O[C@H]1C[C@@H]1OCc1ccccc1 224952593 573586238 /nfs/dbraw/zinc/58/62/38/573586238.db2.gz YZVZDVJJVVYZBW-UWVGGRQHSA-N 0 0 164.204 1.336 10 0 ADAERN CCN(C[C@@H](C)O)c1ccccc1N 83677043 573586251 /nfs/dbraw/zinc/58/62/51/573586251.db2.gz HKBPFTPZUHLXIC-SECBINFHSA-N 0 0 194.278 1.476 10 0 ADAERN CC1=C[C@H](C)[C@H]2NC(=O)[C@@]2(C)C1 238441753 573586265 /nfs/dbraw/zinc/58/62/65/573586265.db2.gz OJTAMWWOQVRMIE-XKSSXDPKSA-N 0 0 165.236 1.477 10 0 ADAERN Fc1ccc(-c2nc(Cl)n[nH]2)nc1 86708570 573586297 /nfs/dbraw/zinc/58/62/97/573586297.db2.gz RGJISHIJCHVTKE-UHFFFAOYSA-N 0 0 198.588 1.659 10 0 ADAERN CCc1nccn1-c1ncns1 83675995 573586305 /nfs/dbraw/zinc/58/63/05/573586305.db2.gz GKBMNTWRURJNKM-UHFFFAOYSA-N 0 0 180.236 1.286 10 0 ADAERN CCCCCN(C)C(=O)[C@H](C)O 258807991 573586329 /nfs/dbraw/zinc/58/63/29/573586329.db2.gz MQRCOIFOVMNDEF-QMMMGPOBSA-N 0 0 173.256 1.016 10 0 ADAERN COc1cc(CC[C@@H](C)O)c(F)cn1 308637846 573586332 /nfs/dbraw/zinc/58/63/32/573586332.db2.gz BPHAEFINVQVMBT-SSDOTTSWSA-N 0 0 199.225 1.543 10 0 ADAERN C[C@H](O)COc1ccc(F)cc1N 83676133 573586380 /nfs/dbraw/zinc/58/63/80/573586380.db2.gz MUQJFDVNAVZEAL-LURJTMIESA-N 0 0 185.198 1.168 10 0 ADAERN C[NH+](C)[C@@H](C1CCC1)C1(C(=O)[O-])CC1 259516651 573586391 /nfs/dbraw/zinc/58/63/91/573586391.db2.gz MNUZSXQDFRVFFK-VIFPVBQESA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@H]1CC[C@@H](CC(N)=O)[C@@H]1C 238441690 573586456 /nfs/dbraw/zinc/58/64/56/573586456.db2.gz LIPIWFVSPHLYFD-PRJMDXOYSA-N 0 0 155.241 1.544 10 0 ADAERN CCN(C(=O)C=C(C)C)[C@@H]1CCOC1 308639435 573586457 /nfs/dbraw/zinc/58/64/57/573586457.db2.gz CHFCLXDXGHETOP-SNVBAGLBSA-N 0 0 197.278 1.590 10 0 ADAERN COc1scc(C)c(=O)c1C 238441621 573586464 /nfs/dbraw/zinc/58/64/64/573586464.db2.gz LQDOFENYTAHBAI-UHFFFAOYSA-N 0 0 170.233 1.734 10 0 ADAERN c1csc(CNc2ncns2)n1 83654100 573586477 /nfs/dbraw/zinc/58/64/77/573586477.db2.gz ATDJKAMZIGLDLL-UHFFFAOYSA-N 0 0 198.276 1.607 10 0 ADAERN CC[C@](C)(O)[C@@H]1CCCOC1 224949519 573587290 /nfs/dbraw/zinc/58/72/90/573587290.db2.gz POYHHAQIHILDFW-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN [NH3+]C1(C(=O)[O-])C[C@@H]2CCCC[C@H]2C1 107415737 573587298 /nfs/dbraw/zinc/58/72/98/573587298.db2.gz OVDPRTRQRNDWFQ-YUMQZZPRSA-N 0 0 183.251 1.369 10 0 ADAERN c1nsc(NC2CCC2)n1 83668483 573587305 /nfs/dbraw/zinc/58/73/05/573587305.db2.gz QXBCNJRGDLYDOZ-UHFFFAOYSA-N 0 0 155.226 1.503 10 0 ADAERN CC[N@@H+]1CC[C@H](C/C=C\CC(=O)[O-])C1 258063838 573587314 /nfs/dbraw/zinc/58/73/14/573587314.db2.gz DWUDUQNVKCPIIT-XOULXFPDSA-N 0 0 197.278 1.749 10 0 ADAERN CC[C@@H](CO)C1(c2ccco2)COC1 258806111 573587328 /nfs/dbraw/zinc/58/73/28/573587328.db2.gz XHRRQDHJKUCKAG-VIFPVBQESA-N 0 0 196.246 1.566 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncns1 83668498 573587360 /nfs/dbraw/zinc/58/73/60/573587360.db2.gz YFCULJBFDBJSSK-UHNVWZDZSA-N 0 0 155.226 1.358 10 0 ADAERN C[C@@H]1[C@@H]2C(=O)CCC(=O)[C@H]2[C@@H]1C 238442369 573587381 /nfs/dbraw/zinc/58/73/81/573587381.db2.gz KKNGIJRJPNHAFV-MLTZYSBQSA-N 0 0 166.220 1.437 10 0 ADAERN C[C@@H](O)[C@@]1(C)CCCCCC1=O 238441620 573587392 /nfs/dbraw/zinc/58/73/92/573587392.db2.gz JDAYXQGPGZVKFH-PSASIEDQSA-N 0 0 170.252 1.907 10 0 ADAERN c1nsc(NCC2CCOCC2)n1 83668935 573587415 /nfs/dbraw/zinc/58/74/15/573587415.db2.gz JRCLIKRLHITYNS-UHFFFAOYSA-N 0 0 199.279 1.377 10 0 ADAERN Cc1c(N)cccc1OC[C@H](C)O 83676077 573587426 /nfs/dbraw/zinc/58/74/26/573587426.db2.gz UPEDETZYLWFQCX-ZETCQYMHSA-N 0 0 181.235 1.337 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncns1 83668502 573587434 /nfs/dbraw/zinc/58/74/34/573587434.db2.gz YFCULJBFDBJSSK-RFZPGFLSSA-N 0 0 155.226 1.358 10 0 ADAERN CC1=C[C@H](C)[C@H](C(N)=O)CC1 238441612 573587446 /nfs/dbraw/zinc/58/74/46/573587446.db2.gz CKVQQGQXIVUXFM-JGVFFNPUSA-N 0 0 153.225 1.464 10 0 ADAERN Cc1cc(C[C@@H]2COC[C@@H]2O)cs1 687984722 573587464 /nfs/dbraw/zinc/58/74/64/573587464.db2.gz YTGMXSANFRKBTB-ZJUUUORDSA-N 0 0 198.287 1.606 10 0 ADAERN COC(=O)[C@@H]1Cc2ccc(O)cc2C1 144470748 573587471 /nfs/dbraw/zinc/58/74/71/573587471.db2.gz YIHFTASGYLUZRL-SECBINFHSA-N 0 0 192.214 1.280 10 0 ADAERN COC(=O)CC[C@H]1CC[C@H](C)OC1 259615523 573587474 /nfs/dbraw/zinc/58/74/74/573587474.db2.gz NBEVHYCLMOKUPA-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN CC(=O)[C@]1(C)C[C@@H](C)C1=O 238442424 573587507 /nfs/dbraw/zinc/58/75/07/573587507.db2.gz VRWRYMGPVINZQW-XRGYYRRGSA-N 0 0 140.182 1.191 10 0 ADAERN Cc1cc(OC[C@H](C)O)c(C)cc1N 83676139 573587515 /nfs/dbraw/zinc/58/75/15/573587515.db2.gz KEIFIHUQSQDLRZ-VIFPVBQESA-N 0 0 195.262 1.645 10 0 ADAERN CCc1nsc(-n2ccnc2C)n1 83675993 573587532 /nfs/dbraw/zinc/58/75/32/573587532.db2.gz VOEKKAULTFTEAK-UHFFFAOYSA-N 0 0 194.263 1.595 10 0 ADAERN CC[C@](C)(O)[C@H]1CCCOC1 224949600 573587551 /nfs/dbraw/zinc/58/75/51/573587551.db2.gz POYHHAQIHILDFW-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)c1nc2n(c1CO)CCS2 75485019 573587561 /nfs/dbraw/zinc/58/75/61/573587561.db2.gz OFFIWXDRPRTXDJ-UHFFFAOYSA-N 0 0 198.291 1.605 10 0 ADAERN Cc1cc(C)n(-c2ncns2)n1 83675958 573587582 /nfs/dbraw/zinc/58/75/82/573587582.db2.gz NNVZAGPZYDBAAN-UHFFFAOYSA-N 0 0 180.236 1.341 10 0 ADAERN Nc1ccccc1Oc1ncns1 83669752 573587598 /nfs/dbraw/zinc/58/75/98/573587598.db2.gz BGHKOHJMYMTVGD-UHFFFAOYSA-N 0 0 193.231 1.913 10 0 ADAERN CC1(C)Nc2ccccc2[C@H]1O 144431930 573587617 /nfs/dbraw/zinc/58/76/17/573587617.db2.gz PKPNOXSQHDJUFE-SECBINFHSA-N 0 0 163.220 1.924 10 0 ADAERN CCC(CC)C[C@@](C)([NH3+])C(=O)[O-] 215222449 573587620 /nfs/dbraw/zinc/58/76/20/573587620.db2.gz WDAMHXABMOPUPC-SECBINFHSA-N 0 0 173.256 1.615 10 0 ADAERN Cn1cc(-c2ncccc2C=O)cn1 82391845 573587656 /nfs/dbraw/zinc/58/76/56/573587656.db2.gz PCZHWVVQZOCWCR-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN CCCC[N@H+](C)[C@@H]1C[C@H]1C(=O)[O-] 259116992 573587667 /nfs/dbraw/zinc/58/76/67/573587667.db2.gz BMNFRFNJROFNOX-HTQZYQBOSA-N 0 0 171.240 1.191 10 0 ADAERN c1nocc1OC1CCSCC1 258799142 573587678 /nfs/dbraw/zinc/58/76/78/573587678.db2.gz XYYFYPWZPXZLQY-UHFFFAOYSA-N 0 0 185.248 1.949 10 0 ADAERN O=C1C[C@](CO)(C2CCCCC2)CN1 257833758 573587685 /nfs/dbraw/zinc/58/76/85/573587685.db2.gz KECLHLIQAZDLGF-NSHDSACASA-N 0 0 197.278 1.065 10 0 ADAERN C[C@@H](O)COc1cc(F)ccc1N 83676031 573587703 /nfs/dbraw/zinc/58/77/03/573587703.db2.gz ZNDHNVKHXCBMSF-ZCFIWIBFSA-N 0 0 185.198 1.168 10 0 ADAERN Cc1ccc(CC[C@H](O)CO)cc1 78516858 573587706 /nfs/dbraw/zinc/58/77/06/573587706.db2.gz ZOMKPCIEYWAVCH-NSHDSACASA-N 0 0 180.247 1.281 10 0 ADAERN Cc1nccn1-c1ncns1 83675989 573587708 /nfs/dbraw/zinc/58/77/08/573587708.db2.gz GFTFCVUYGKMTCH-UHFFFAOYSA-N 0 0 166.209 1.032 10 0 ADAERN OCc1cc2c3c(c1)CCN3CCC2 259517864 573587723 /nfs/dbraw/zinc/58/77/23/573587723.db2.gz PMPMTGUZEJPEPE-UHFFFAOYSA-N 0 0 189.258 1.488 10 0 ADAERN CC(C)[C@H]1CCC[C@]([NH3+])(C(=O)[O-])C1 107417732 573587729 /nfs/dbraw/zinc/58/77/29/573587729.db2.gz OJEKQIRALOHSLB-WCBMZHEXSA-N 0 0 185.267 1.615 10 0 ADAERN CC(C)Cc1[nH+]cc2n1C[C@H](O)CC2 258064020 573587733 /nfs/dbraw/zinc/58/77/33/573587733.db2.gz DFMQFJAXLJMWIC-SNVBAGLBSA-N 0 0 194.278 1.389 10 0 ADAERN CCO[P@@](C)(=O)c1ccccc1N 144437756 573587744 /nfs/dbraw/zinc/58/77/44/573587744.db2.gz AUGLWBSGESWQFL-CYBMUJFWSA-N 0 0 199.190 1.839 10 0 ADAERN CC[C@H](O)[C@@H](CO)Cc1ccccc1 308631041 573587745 /nfs/dbraw/zinc/58/77/45/573587745.db2.gz ULUOPZRWGZGXPJ-NEPJUHHUSA-N 0 0 194.274 1.609 10 0 ADAERN c1nsc(NC[C@H]2CCCCO2)n1 83654736 573587770 /nfs/dbraw/zinc/58/77/70/573587770.db2.gz WVSNFSASTNMHFC-SSDOTTSWSA-N 0 0 199.279 1.519 10 0 ADAERN CC(C)CNc1cc(N)c[nH]1 75492245 573587790 /nfs/dbraw/zinc/58/77/90/573587790.db2.gz LYBRRJPXDOZDIA-UHFFFAOYSA-N 0 0 153.229 1.665 10 0 ADAERN C[Si](CO)(C1CC1)C1CC1 198326831 573587801 /nfs/dbraw/zinc/58/78/01/573587801.db2.gz NQYKNDKICUNSPO-UHFFFAOYSA-N 0 0 156.301 1.925 10 0 ADAERN Cc1n[nH]cc1CNc1ncns1 83653653 573587804 /nfs/dbraw/zinc/58/78/04/573587804.db2.gz HYDUHPZEOBGYDX-UHFFFAOYSA-N 0 0 195.251 1.182 10 0 ADAERN Cc1nc([C@H](CO)C(C)C)[nH]c1C 258806211 573587816 /nfs/dbraw/zinc/58/78/16/573587816.db2.gz XKEPBEBLYBHSNJ-SECBINFHSA-N 0 0 182.267 1.758 10 0 ADAERN O=C1C[C@@H]2C[C@H]3CCC=C3[C@@H]12 144439739 573587836 /nfs/dbraw/zinc/58/78/36/573587836.db2.gz DIYGQXWCMGHKCK-FWWHASMVSA-N 0 0 148.205 1.932 10 0 ADAERN c1nsc(N[C@H]2CCCOC2)n1 83668892 573587843 /nfs/dbraw/zinc/58/78/43/573587843.db2.gz KFNWXPSCIUMQEP-LURJTMIESA-N 0 0 185.252 1.129 10 0 ADAERN CC[C@H](C)[C@H](CO)Nc1nnc(C)o1 308631181 573587845 /nfs/dbraw/zinc/58/78/45/573587845.db2.gz YYOCOXMRBNAQAG-XPUUQOCRSA-N 0 0 199.254 1.197 10 0 ADAERN O=C1C[C@@](CO)(C2CCCCC2)CN1 257833755 573587850 /nfs/dbraw/zinc/58/78/50/573587850.db2.gz KECLHLIQAZDLGF-LLVKDONJSA-N 0 0 197.278 1.065 10 0 ADAERN C[C@H](C[NH2+]Cc1cc[nH]c1)CC(=O)[O-] 258797060 573587858 /nfs/dbraw/zinc/58/78/58/573587858.db2.gz DAHAHZNRJARGEE-QMMMGPOBSA-N 0 0 196.250 1.215 10 0 ADAERN CC(C)c1nsc(-n2cncn2)n1 83675999 573587866 /nfs/dbraw/zinc/58/78/66/573587866.db2.gz NSRYGSYXVNTLRB-UHFFFAOYSA-N 0 0 195.251 1.242 10 0 ADAERN COCC(C)(C)N[C@@H](C)C(F)(F)F 308405007 573587877 /nfs/dbraw/zinc/58/78/77/573587877.db2.gz JFKPMFVJHZRPSU-LURJTMIESA-N 0 0 199.216 1.952 10 0 ADAERN C[C@@H](O)COc1cncc(Cl)c1 83676669 573587896 /nfs/dbraw/zinc/58/78/96/573587896.db2.gz IHPPQTQXQRAYJB-ZCFIWIBFSA-N 0 0 187.626 1.495 10 0 ADAERN O[C@@H]1CCCC[C@@H]1Nc1ncns1 83668453 573587912 /nfs/dbraw/zinc/58/79/12/573587912.db2.gz IPVTXPKSXLYOPP-NKWVEPMBSA-N 0 0 199.279 1.254 10 0 ADAERN CCCCCN(C)C(=O)[C@@H](C)O 258807989 573587940 /nfs/dbraw/zinc/58/79/40/573587940.db2.gz MQRCOIFOVMNDEF-MRVPVSSYSA-N 0 0 173.256 1.016 10 0 ADAERN CCC[C@@](N)(C(=O)OC)C(C)(C)F 257833714 573587942 /nfs/dbraw/zinc/58/79/42/573587942.db2.gz KDFKGICKNTXCAH-SECBINFHSA-N 0 0 191.246 1.405 10 0 ADAERN CCOC(=O)C1C[C@H]2COC[C@@H]2C1 259518238 573587979 /nfs/dbraw/zinc/58/79/79/573587979.db2.gz CVDOSMMZESOVCZ-IUCAKERBSA-N 0 0 184.235 1.222 10 0 ADAERN CC[C@H](C)CNc1ncns1 83668643 573587981 /nfs/dbraw/zinc/58/79/81/573587981.db2.gz HWRYZGJGRYUKJN-LURJTMIESA-N 0 0 171.269 1.996 10 0 ADAERN CONCc1ccc([C@H](C)O)cc1 258066758 573588007 /nfs/dbraw/zinc/58/80/07/573588007.db2.gz TWLJQGQRVPGPMU-QMMMGPOBSA-N 0 0 181.235 1.391 10 0 ADAERN CCCn1cc([C@@](C)(F)[C@@H](C)[NH3+])cn1 308640928 573588028 /nfs/dbraw/zinc/58/80/28/573588028.db2.gz CZRKITFKDHZXCB-SCZZXKLOSA-N 0 0 199.273 1.825 10 0 ADAERN COCc1cnc2c(N)cccc2c1 144455135 573588033 /nfs/dbraw/zinc/58/80/33/573588033.db2.gz SXCYOUYWRCEPQU-UHFFFAOYSA-N 0 0 188.230 1.963 10 0 ADAERN O[C@@H]1CCCC[C@H]1Nc1ncns1 83668452 573588047 /nfs/dbraw/zinc/58/80/47/573588047.db2.gz IPVTXPKSXLYOPP-RNFRBKRXSA-N 0 0 199.279 1.254 10 0 ADAERN C[C@H]1COc2cc(CCO)ccc21 258063919 573588053 /nfs/dbraw/zinc/58/80/53/573588053.db2.gz LWQZEOKESSFMAQ-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN CN1CCN(C)[C@@H](c2ccco2)C1 258804226 573588063 /nfs/dbraw/zinc/58/80/63/573588063.db2.gz NNYFYROIQDWYJD-SECBINFHSA-N 0 0 180.251 1.198 10 0 ADAERN CCc1nsc(-n2cccn2)n1 83675971 573588085 /nfs/dbraw/zinc/58/80/85/573588085.db2.gz JKJYOVVPLGMDSB-UHFFFAOYSA-N 0 0 180.236 1.286 10 0 ADAERN C[C@@H]1COc2cc(CCO)ccc21 258063918 573588088 /nfs/dbraw/zinc/58/80/88/573588088.db2.gz LWQZEOKESSFMAQ-MRVPVSSYSA-N 0 0 178.231 1.717 10 0 ADAERN Cc1c(N)cccc1OC[C@@H](C)O 83676075 573588095 /nfs/dbraw/zinc/58/80/95/573588095.db2.gz UPEDETZYLWFQCX-SSDOTTSWSA-N 0 0 181.235 1.337 10 0 ADAERN O[C@@H](c1ccncc1)[C@H]1CCCOC1 224956959 573588104 /nfs/dbraw/zinc/58/81/04/573588104.db2.gz ZGUCJHVIVUEOGJ-QWRGUYRKSA-N 0 0 193.246 1.542 10 0 ADAERN CC[C@](C)(O)CNc1ncns1 83669672 573588116 /nfs/dbraw/zinc/58/81/16/573588116.db2.gz VINUYOUJIWNBDZ-ZETCQYMHSA-N 0 0 187.268 1.111 10 0 ADAERN C[C@H]1CN[C@@H](c2ccccc2)C(=O)O1 238443360 573590321 /nfs/dbraw/zinc/59/03/21/573590321.db2.gz MQHARNUWMTUFDE-WPRPVWTQSA-N 0 0 191.230 1.263 10 0 ADAERN COc1cccn2c(=O)[nH]cc12 258503893 573590324 /nfs/dbraw/zinc/59/03/24/573590324.db2.gz KZBOTLNRTPCOHH-UHFFFAOYSA-N 0 0 164.164 1.049 10 0 ADAERN CNc1cc(N)cc(C(=O)OC)c1 144478945 573590976 /nfs/dbraw/zinc/59/09/76/573590976.db2.gz YYJPZVVKFHTPEG-UHFFFAOYSA-N 0 0 180.207 1.097 10 0 ADAERN C[C@@H]1Oc2ccc(N)cc2NC1=N 75489796 573590342 /nfs/dbraw/zinc/59/03/42/573590342.db2.gz QZXLKDQUIQUKHC-YFKPBYRVSA-N 0 0 177.207 1.038 10 0 ADAERN O=Cc1nnsc1C(F)(F)F 107414589 573590368 /nfs/dbraw/zinc/59/03/68/573590368.db2.gz XIXKWEPWYYTJGQ-UHFFFAOYSA-N 0 0 182.126 1.369 10 0 ADAERN C[C@@H]([C@@H](C)O)C1(O)CCCCC1 238443654 573590392 /nfs/dbraw/zinc/59/03/92/573590392.db2.gz RSCLACUUQCKBKA-DTWKUNHWSA-N 0 0 172.268 1.699 10 0 ADAERN C[C@H]1C[C@H](O)C(C)(C)C1 238443166 573590427 /nfs/dbraw/zinc/59/04/27/573590427.db2.gz ZGZJOIRJSKEWPF-BQBZGAKWSA-N 0 0 128.215 1.803 10 0 ADAERN CCc1cc(C=O)co1 75480207 573590470 /nfs/dbraw/zinc/59/04/70/573590470.db2.gz CHYMEBLKZJITJF-UHFFFAOYSA-N 0 0 124.139 1.655 10 0 ADAERN CCCc1c[nH]c(C2(CO)CC2)n1 259134422 573590509 /nfs/dbraw/zinc/59/05/09/573590509.db2.gz RHDLZEDXZYDCKH-UHFFFAOYSA-N 0 0 180.251 1.386 10 0 ADAERN CC(C)[N@H+](C)CC(C)(C)CC(=O)[O-] 258810486 573590534 /nfs/dbraw/zinc/59/05/34/573590534.db2.gz FEGNZDMOUHAZEP-UHFFFAOYSA-N 0 0 187.283 1.828 10 0 ADAERN CC[N@@H+]1CC[C@@H](C/C=C\CC(=O)[O-])C1 258063836 573590539 /nfs/dbraw/zinc/59/05/39/573590539.db2.gz DWUDUQNVKCPIIT-UMBAGQNISA-N 0 0 197.278 1.749 10 0 ADAERN Cc1nn(C)c2c1[C@@H](C)CC(=O)N2 238454923 573590540 /nfs/dbraw/zinc/59/05/40/573590540.db2.gz VYRZTSNKEJSQKM-YFKPBYRVSA-N 0 0 179.223 1.174 10 0 ADAERN C[C@H]1[C@@H](CC(N)=O)CCC1(C)C 238443211 573590550 /nfs/dbraw/zinc/59/05/50/573590550.db2.gz FRNVIPFEQYQFRR-JGVFFNPUSA-N 0 0 169.268 1.934 10 0 ADAERN Cc1cn(C[C@@H](C)O)c(C)c1C 83677630 573590551 /nfs/dbraw/zinc/59/05/51/573590551.db2.gz LYKYRZZOROGVMI-MRVPVSSYSA-N 0 0 167.252 1.794 10 0 ADAERN C[C@H]1C[C@H](O)C(C)(C)CS1 238443201 573590564 /nfs/dbraw/zinc/59/05/64/573590564.db2.gz JWWDUDKDNXMDAZ-BQBZGAKWSA-N 0 0 160.282 1.899 10 0 ADAERN CONCc1ccc([C@@H](C)O)cc1 258066756 573590584 /nfs/dbraw/zinc/59/05/84/573590584.db2.gz TWLJQGQRVPGPMU-MRVPVSSYSA-N 0 0 181.235 1.391 10 0 ADAERN C[C@@H]1CC[C@@H](CO)[C@@H](C)O1 238443296 573590595 /nfs/dbraw/zinc/59/05/95/573590595.db2.gz ZWKMHVMVVGIAEH-PRJMDXOYSA-N 0 0 144.214 1.182 10 0 ADAERN Cc1ccc([C@H]2NCC(C)(C)O2)o1 258813029 573590596 /nfs/dbraw/zinc/59/05/96/573590596.db2.gz YKTYPRWYLPUYPM-VIFPVBQESA-N 0 0 181.235 1.985 10 0 ADAERN CC1(C)CCC(=O)N(C[C@@H]2CO2)CC1 83681448 573590601 /nfs/dbraw/zinc/59/06/01/573590601.db2.gz IVTVZVYAKMHGTE-SECBINFHSA-N 0 0 197.278 1.424 10 0 ADAERN C[C@H]1C=CC(C)(C)C[C@@H]1O 238443015 573590603 /nfs/dbraw/zinc/59/06/03/573590603.db2.gz GQOMLCQARJJHNJ-YUMQZZPRSA-N 0 0 140.226 1.970 10 0 ADAERN OC/C=C\Cc1cccc(F)c1 258063793 573590608 /nfs/dbraw/zinc/59/06/08/573590608.db2.gz DWHUJZOSIXFOBA-UPHRSURJSA-N 0 0 166.195 1.917 10 0 ADAERN C[C@H]1C[C@H](O)C(C)(C)OC1(C)C 238443217 573590627 /nfs/dbraw/zinc/59/06/27/573590627.db2.gz JZRSCXZJNSEVRU-YUMQZZPRSA-N 0 0 172.268 1.961 10 0 ADAERN C[C@@H]1C[C@H](O)C[C@@H]1C(C)(C)O 238454951 573590666 /nfs/dbraw/zinc/59/06/66/573590666.db2.gz QIFLCNVJDCXUOU-CSMHCCOUSA-N 0 0 158.241 1.164 10 0 ADAERN C[C@H]1C[C@H](O)C12CC2 238443253 573590742 /nfs/dbraw/zinc/59/07/42/573590742.db2.gz GTJOENUZFRUSID-WDSKDSINSA-N 0 0 112.172 1.167 10 0 ADAERN CC(C)c1ccc(CCNC[NH3+])cc1 258812874 573590793 /nfs/dbraw/zinc/59/07/93/573590793.db2.gz FNWHPFJFQFEKLW-UHFFFAOYSA-N 0 0 192.306 1.858 10 0 ADAERN C[C@@]12CCC[C@]1(O)CC(=O)C2 238443094 573590798 /nfs/dbraw/zinc/59/07/98/573590798.db2.gz QWDPKRUVSKOTLJ-IUCAKERBSA-N 0 0 154.209 1.271 10 0 ADAERN C[C@@H]1CC[C@@H](CO)CCCC1=O 238443171 573590824 /nfs/dbraw/zinc/59/08/24/573590824.db2.gz MSJCVSPMTZJBHO-BDAKNGLRSA-N 0 0 170.252 1.764 10 0 ADAERN OC/C=C(/CCCO)c1ccccc1 238683929 573590839 /nfs/dbraw/zinc/59/08/39/573590839.db2.gz PRBDJQSNBMYQFL-WQLSENKSSA-N 0 0 192.258 1.835 10 0 ADAERN COc1cccc2c1C[C@@H](C)[C@H]2O 86721692 573590853 /nfs/dbraw/zinc/59/08/53/573590853.db2.gz OXLPBZQEHCCPMV-RDDDGLTNSA-N 0 0 178.231 1.921 10 0 ADAERN CCN1CCCC[C@@H]1c1noc(N)n1 258063497 573590855 /nfs/dbraw/zinc/59/08/55/573590855.db2.gz PVMACTRIVPBIFE-SSDOTTSWSA-N 0 0 196.254 1.199 10 0 ADAERN C[C@H](O)c1ccccc1[C@@H](C)CO 238443681 573590857 /nfs/dbraw/zinc/59/08/57/573590857.db2.gz FUVQMQZBFBNGPD-IUCAKERBSA-N 0 0 180.247 1.836 10 0 ADAERN C=Cn1cccc1[C@H](C)O 238443810 573590886 /nfs/dbraw/zinc/59/08/86/573590886.db2.gz CISZBJJGIOTCFP-ZETCQYMHSA-N 0 0 137.182 1.642 10 0 ADAERN CC/C(=C\C[NH2+][C@@H]1C[C@@H]1CC)C(=O)[O-] 308631628 573590891 /nfs/dbraw/zinc/59/08/91/573590891.db2.gz VFIXHBGYHCDZJR-AIYFBYTFSA-N 0 0 197.278 1.796 10 0 ADAERN Cc1cn(C[C@H](C)O)c(C)c1C 83677632 573590898 /nfs/dbraw/zinc/59/08/98/573590898.db2.gz LYKYRZZOROGVMI-QMMMGPOBSA-N 0 0 167.252 1.794 10 0 ADAERN C[C@H](O)c1cccn1Cn1cccc1 238443830 573590956 /nfs/dbraw/zinc/59/09/56/573590956.db2.gz YEIVCHBZRYPOQU-JTQLQIEISA-N 0 0 190.246 1.849 10 0 ADAERN Nc1nc([C@H]2CCSC2)co1 259521305 573592112 /nfs/dbraw/zinc/59/21/12/573592112.db2.gz AJWNVRAYQHZCHH-YFKPBYRVSA-N 0 0 170.237 1.477 10 0 ADAERN CC(C)c1nc2ocnc2cc1N 259521212 573592119 /nfs/dbraw/zinc/59/21/19/573592119.db2.gz AIHCWZJJMTUPQU-UHFFFAOYSA-N 0 0 177.207 1.928 10 0 ADAERN Nc1oncc1-c1ccc(O)cc1 257835554 573592122 /nfs/dbraw/zinc/59/21/22/573592122.db2.gz LSFGNCMBJVRXDC-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN C[C@@H](O)[C@@]1(c2ccccc2)CCO1 238443155 573592125 /nfs/dbraw/zinc/59/21/25/573592125.db2.gz JDNMAZQDPBZNPY-MWLCHTKSSA-N 0 0 178.231 1.683 10 0 ADAERN CC(=O)C[C@@H](F)C1CC1 257833978 573592166 /nfs/dbraw/zinc/59/21/66/573592166.db2.gz LCNKNMNLQLJBDP-SSDOTTSWSA-N 0 0 130.162 1.714 10 0 ADAERN Cc1ccc(CC[C@@H](O)CO)cc1 78516866 573592174 /nfs/dbraw/zinc/59/21/74/573592174.db2.gz ZOMKPCIEYWAVCH-LLVKDONJSA-N 0 0 180.247 1.281 10 0 ADAERN CC1=CCCC(=O)C(C)(C)C1=O 238443365 573592183 /nfs/dbraw/zinc/59/21/83/573592183.db2.gz GZXBZBGVDIIUFM-ZETCQYMHSA-N 0 0 166.220 1.747 10 0 ADAERN Cc1cccc2c1C[C@@H](CON)S2 258063523 573592206 /nfs/dbraw/zinc/59/22/06/573592206.db2.gz GMAPJKFSNBLIDD-QMMMGPOBSA-N 0 0 195.287 1.902 10 0 ADAERN Cc1ccccc1C[C@@H](F)C(N)=O 259520924 573592210 /nfs/dbraw/zinc/59/22/10/573592210.db2.gz AGFZVTDPRVAOAU-SECBINFHSA-N 0 0 181.210 1.361 10 0 ADAERN Cc1ccccc1[C@H](C)[C@@H]([NH3+])C(=O)[O-] 107424472 573592218 /nfs/dbraw/zinc/59/22/18/573592218.db2.gz WLKQYWCVYKPBNI-WCBMZHEXSA-N 0 0 193.246 1.510 10 0 ADAERN Cc1ncnc2scc(N)c12 75521477 573592233 /nfs/dbraw/zinc/59/22/33/573592233.db2.gz RZGCMAQNWAANRR-UHFFFAOYSA-N 0 0 165.221 1.582 10 0 ADAERN COc1ccc(O)cc1[C@@H](F)CO 257833996 573592253 /nfs/dbraw/zinc/59/22/53/573592253.db2.gz LDAXURLGURYZQO-QMMMGPOBSA-N 0 0 186.182 1.404 10 0 ADAERN CC/C=C/C=C\C[C@@H]1OC[C@@H](CO)O1 308631145 573592254 /nfs/dbraw/zinc/59/22/54/573592254.db2.gz UTJYOJJJHHKFSC-SSRQUVDVSA-N 0 0 198.262 1.633 10 0 ADAERN O=C(CCCO)N1C[C@H]2CCC[C@@H]2C1 126626956 573592258 /nfs/dbraw/zinc/59/22/58/573592258.db2.gz LKBYWSWLDRBZCR-NXEZZACHSA-N 0 0 197.278 1.017 10 0 ADAERN C[N@@H+]1CCCC[C@@]1(C)CC(=O)[O-] 259521054 573592291 /nfs/dbraw/zinc/59/22/91/573592291.db2.gz AGZTXPMDIQAQRZ-VIFPVBQESA-N 0 0 171.240 1.336 10 0 ADAERN CC(=O)N[C@@H](C)c1ccc(C=O)cc1 144476093 573592302 /nfs/dbraw/zinc/59/23/02/573592302.db2.gz RTBQJGDNZCOTEA-QMMMGPOBSA-N 0 0 191.230 1.696 10 0 ADAERN CC1(C)CCCN(C(N)=S)CC1 83680286 573592305 /nfs/dbraw/zinc/59/23/05/573592305.db2.gz BGWXMLSHGXGVDS-UHFFFAOYSA-N 0 0 186.324 1.742 10 0 ADAERN CCCc1ccc([C@H]([NH3+])CC(=O)[O-])o1 308405620 573592310 /nfs/dbraw/zinc/59/23/10/573592310.db2.gz NOMSPLWKKVFPPI-MRVPVSSYSA-N 0 0 197.234 1.707 10 0 ADAERN CCc1nc2cc(N)c(CC)nc2o1 259518891 573592326 /nfs/dbraw/zinc/59/23/26/573592326.db2.gz ADIKYJYNVJBIPR-UHFFFAOYSA-N 0 0 191.234 1.930 10 0 ADAERN Nc1ncc(Cc2ccco2)s1 258810435 573592365 /nfs/dbraw/zinc/59/23/65/573592365.db2.gz NWQNUSPVXVTTOT-UHFFFAOYSA-N 0 0 180.232 1.909 10 0 ADAERN Cc1cc(CON)cc(N)c1C 259521375 573592382 /nfs/dbraw/zinc/59/23/82/573592382.db2.gz SQLBPERGZPKATP-UHFFFAOYSA-N 0 0 166.224 1.276 10 0 ADAERN CC[NH2+][C@H](CC1CC1)c1cnnn1C 128562862 573592407 /nfs/dbraw/zinc/59/24/07/573592407.db2.gz PIJDFRQIGIWEHU-SECBINFHSA-N 0 0 194.282 1.266 10 0 ADAERN CC(C)Cc1cn(C)nc1C=O 257833985 573592415 /nfs/dbraw/zinc/59/24/15/573592415.db2.gz LCVCFNDOMYUIQH-UHFFFAOYSA-N 0 0 166.224 1.431 10 0 ADAERN O=C([O-])C/C=C\[C@H]1CCC[NH2+]C1 258063905 573592437 /nfs/dbraw/zinc/59/24/37/573592437.db2.gz DYFXIWZZTCQRPE-CJKINAQCSA-N 0 0 169.224 1.017 10 0 ADAERN CCCn1ncnc1C(=O)CSC 393539384 573592472 /nfs/dbraw/zinc/59/24/72/573592472.db2.gz RKLLPMXCVXVGCT-UHFFFAOYSA-N 0 0 199.279 1.234 10 0 ADAERN C/C=C1\C[C@H]1C(=O)Nc1ccccn1 308405452 573592476 /nfs/dbraw/zinc/59/24/76/573592476.db2.gz BPTJFWNVFRMSPC-YPNJUMGQSA-N 0 0 188.230 1.986 10 0 ADAERN O=Cc1cnc2sncc2c1 84229709 573592493 /nfs/dbraw/zinc/59/24/93/573592493.db2.gz ITGZLXVHAPWHGQ-UHFFFAOYSA-N 0 0 164.189 1.504 10 0 ADAERN Cc1nc(C(C)C)c2c(N)c[nH]c2n1 75523875 573592508 /nfs/dbraw/zinc/59/25/08/573592508.db2.gz NWYKZUVBKNHHLL-UHFFFAOYSA-N 0 0 190.250 1.972 10 0 ADAERN C[N@@H+]1CCCC[C@]1(C)CC(=O)[O-] 259521047 573592526 /nfs/dbraw/zinc/59/25/26/573592526.db2.gz AGZTXPMDIQAQRZ-SECBINFHSA-N 0 0 171.240 1.336 10 0 ADAERN COc1cccc2[nH]nc(C(C)=O)c12 107420213 573592527 /nfs/dbraw/zinc/59/25/27/573592527.db2.gz JNXOMEXTNZOUGZ-UHFFFAOYSA-N 0 0 190.202 1.774 10 0 ADAERN CC(=O)C[C@H](F)C1CC1 257833979 573592550 /nfs/dbraw/zinc/59/25/50/573592550.db2.gz LCNKNMNLQLJBDP-ZETCQYMHSA-N 0 0 130.162 1.714 10 0 ADAERN CNc1ncnnc1C1CCCC1 259137096 573592586 /nfs/dbraw/zinc/59/25/86/573592586.db2.gz JRKLWLWOHLEFFU-UHFFFAOYSA-N 0 0 178.239 1.571 10 0 ADAERN CC(C)(C)c1ccc([C@@H](N)NN)cc1 259134467 573592603 /nfs/dbraw/zinc/59/26/03/573592603.db2.gz AXTYPDBWNSNFIY-JTQLQIEISA-N 0 0 193.294 1.405 10 0 ADAERN Cn1cccc1N1CCCC1 75511084 573592633 /nfs/dbraw/zinc/59/26/33/573592633.db2.gz RHHQMPWUYUDNCO-UHFFFAOYSA-N 0 0 150.225 1.625 10 0 ADAERN CC(C)[N@@H+]1C[C@H](C(=O)[O-])CC1(C)C 259520987 573592644 /nfs/dbraw/zinc/59/26/44/573592644.db2.gz VHCVEVHZSVCGPW-MRVPVSSYSA-N 0 0 185.267 1.580 10 0 ADAERN CCc1nc(C)nc2[nH]cc(N)c12 75523873 573592670 /nfs/dbraw/zinc/59/26/70/573592670.db2.gz GCDQAAVROPIIRQ-UHFFFAOYSA-N 0 0 176.223 1.411 10 0 ADAERN CCN1c2cc(N)ccc2NC[C@H]1C 259135670 573592682 /nfs/dbraw/zinc/59/26/82/573592682.db2.gz HBEQXOJSZGVJLB-MRVPVSSYSA-N 0 0 191.278 1.909 10 0 ADAERN C[C@]1(COc2cc(O)ccc2N)CO1 238456111 573592716 /nfs/dbraw/zinc/59/27/16/573592716.db2.gz HKWUZFAUXAUFHR-JTQLQIEISA-N 0 0 195.218 1.142 10 0 ADAERN C=CC(=O)N1CCC[C@H]2CCC[C@@H]21 83700079 573592733 /nfs/dbraw/zinc/59/27/33/573592733.db2.gz AFFZKVAULBCMCJ-ZJUUUORDSA-N 0 0 179.263 1.964 10 0 ADAERN CCC[C@@H]1C[C@@H](/C=C/CO)C(=O)O1 238274780 573592738 /nfs/dbraw/zinc/59/27/38/573592738.db2.gz CBVLNERZOBPIFD-ZZDZINKYSA-N 0 0 184.235 1.267 10 0 ADAERN Cc1ccccc1[C@@H](C)[C@H]([NH3+])C(=O)[O-] 107424464 573592752 /nfs/dbraw/zinc/59/27/52/573592752.db2.gz WLKQYWCVYKPBNI-SCZZXKLOSA-N 0 0 193.246 1.510 10 0 ADAERN CC(=O)c1nc2c([nH]c1=O)[C@@H](C)CC2 238456197 573592753 /nfs/dbraw/zinc/59/27/53/573592753.db2.gz RDQNTAXNBOWXOL-YFKPBYRVSA-N 0 0 192.218 1.022 10 0 ADAERN COc1ccc(O)cc1[C@H](F)CO 257833994 573592800 /nfs/dbraw/zinc/59/28/00/573592800.db2.gz LDAXURLGURYZQO-MRVPVSSYSA-N 0 0 186.182 1.404 10 0 ADAERN O=C(CCCO)N1C[C@@H]2CCC[C@H]2C1 126626732 573592802 /nfs/dbraw/zinc/59/28/02/573592802.db2.gz LKBYWSWLDRBZCR-UWVGGRQHSA-N 0 0 197.278 1.017 10 0 ADAERN C/C=C\CN(C)[C@@H](CC)C(=O)OC 308405380 573592806 /nfs/dbraw/zinc/59/28/06/573592806.db2.gz JJGBMHLLVSSYJH-PGBBXKAQSA-N 0 0 185.267 1.446 10 0 ADAERN Clc1ncnc2ncoc12 259518784 573592808 /nfs/dbraw/zinc/59/28/08/573592808.db2.gz ZZAJPIAAFRSWCB-UHFFFAOYSA-N 0 0 155.544 1.271 10 0 ADAERN C[C@H]1Cc2ccccc2[C@]1([NH3+])C(=O)[O-] 107421341 573592811 /nfs/dbraw/zinc/59/28/11/573592811.db2.gz TVZRQWWNRBMWIN-CPCISQLKSA-N 0 0 191.230 1.117 10 0 ADAERN C/C=C/CN(C)[C@@H](CC)C(=O)OC 308405378 573592824 /nfs/dbraw/zinc/59/28/24/573592824.db2.gz JJGBMHLLVSSYJH-IWGCBNPKSA-N 0 0 185.267 1.446 10 0 ADAERN CC(=O)c1nn(C)c2cccc(F)c12 107423127 573592107 /nfs/dbraw/zinc/59/21/07/573592107.db2.gz SAGMUBNXDKNWAP-UHFFFAOYSA-N 0 0 192.193 1.915 10 0 ADAERN C[C@H]1C[C@@H](Cc2ccccc2)C(=O)N1 238456091 573593960 /nfs/dbraw/zinc/59/39/60/573593960.db2.gz MGQFLLZJIXHHNF-ONGXEEELSA-N 0 0 189.258 1.754 10 0 ADAERN Cn1cc(OC(=O)CC2CC2)cn1 308405673 573593971 /nfs/dbraw/zinc/59/39/71/573593971.db2.gz LNBXPGBRUFHFTR-UHFFFAOYSA-N 0 0 180.207 1.126 10 0 ADAERN OC[C@H]1Cc2cc(Cl)ccc21 257832788 573593980 /nfs/dbraw/zinc/59/39/80/573593980.db2.gz AFKXWXDQTPHKNZ-SSDOTTSWSA-N 0 0 168.623 1.972 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H]2CCC=C[C@@H]12 238456152 573593996 /nfs/dbraw/zinc/59/39/96/573593996.db2.gz FFBGBBCSGUSEEV-RGOKHQFPSA-N 0 0 152.237 1.970 10 0 ADAERN CC(=O)N[C@H](C)c1ccc(CO)cc1 144482067 573594014 /nfs/dbraw/zinc/59/40/14/573594014.db2.gz AEJOCAKEXJKIQD-MRVPVSSYSA-N 0 0 193.246 1.376 10 0 ADAERN C[C@H]1C[C@H](F)[C@@H](O)C[C@H]1C 238455958 573594026 /nfs/dbraw/zinc/59/40/26/573594026.db2.gz WWYYOCJSVYQPNI-YWIQKCBGSA-N 0 0 146.205 1.751 10 0 ADAERN O=C(Cc1ccncn1)c1ccc[nH]1 259135083 573594033 /nfs/dbraw/zinc/59/40/33/573594033.db2.gz MAKRWTSZSAYYNW-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN Cc1ccc2c(c1O)O[C@@H](O)C[C@H]2C 238455422 573594045 /nfs/dbraw/zinc/59/40/45/573594045.db2.gz ZNOJOBNXXXTJPW-VXNVDRBHSA-N 0 0 194.230 1.905 10 0 ADAERN CC(C)[C@@H]1[C@@H](C(=O)[O-])CCC[N@@H+]1C 82392646 573594087 /nfs/dbraw/zinc/59/40/87/573594087.db2.gz UKNQIXJPXCCGNE-DTWKUNHWSA-N 0 0 185.267 1.437 10 0 ADAERN Cc1cccc2c1NC[C@]2(C)CO 238455419 573594099 /nfs/dbraw/zinc/59/40/99/573594099.db2.gz LRUBXHVHXICFJW-LLVKDONJSA-N 0 0 177.247 1.671 10 0 ADAERN CCOC(=O)[C@@]1(C)CC(=O)[C@@H](C)C1 306508128 573594102 /nfs/dbraw/zinc/59/41/02/573594102.db2.gz ABUVASBGURAVPA-OIBJUYFYSA-N 0 0 184.235 1.555 10 0 ADAERN CCn1ccn(COC(C)C)c1=O 393538617 573594105 /nfs/dbraw/zinc/59/41/05/573594105.db2.gz NZRPOQPZYOGGJT-UHFFFAOYSA-N 0 0 184.239 1.052 10 0 ADAERN C[C@@H]1C[C@H](O)[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@@H]32 238456277 573594107 /nfs/dbraw/zinc/59/41/07/573594107.db2.gz LSKGVKVXJFLLQA-CNOCOONNSA-N 0 0 176.259 1.992 10 0 ADAERN C1CCn2nc([C@@H]3CCCO3)nc2C1 258410307 573594111 /nfs/dbraw/zinc/59/41/11/573594111.db2.gz OAENDWNZBYONEV-QMMMGPOBSA-N 0 0 193.250 1.466 10 0 ADAERN Cc1nccnc1[C@@H](C)NOC(C)C 393538962 573594123 /nfs/dbraw/zinc/59/41/23/573594123.db2.gz ZANALOIIUMRLAX-SECBINFHSA-N 0 0 195.266 1.776 10 0 ADAERN Nc1nc([C@@H]2CCSC2)co1 259521300 573594125 /nfs/dbraw/zinc/59/41/25/573594125.db2.gz AJWNVRAYQHZCHH-RXMQYKEDSA-N 0 0 170.237 1.477 10 0 ADAERN CC(=O)[C@]1(C)C(=O)[C@H](C)[C@@H]1C 238456161 573594129 /nfs/dbraw/zinc/59/41/29/573594129.db2.gz SVHUWZMLDYJUBQ-QIOHGKGESA-N 0 0 154.209 1.437 10 0 ADAERN COCC1(c2ccccc2N)CC1 259520865 573594166 /nfs/dbraw/zinc/59/41/66/573594166.db2.gz AFAUKFHGWOTSQV-UHFFFAOYSA-N 0 0 177.247 1.947 10 0 ADAERN C[C@]1(CO)Cc2cc(F)ccc2C1=O 238455672 573594176 /nfs/dbraw/zinc/59/41/76/573594176.db2.gz UEJLQPIUHNCJDW-LLVKDONJSA-N 0 0 194.205 1.563 10 0 ADAERN FC1(F)CNC[C@H]1Oc1ccccc1 257835364 573594192 /nfs/dbraw/zinc/59/41/92/573594192.db2.gz AHRWFBBHCHJCCN-SECBINFHSA-N 0 0 199.200 1.673 10 0 ADAERN C[C@@H]1C[C@H](O)ON1C(C)(C)C 238455328 573594205 /nfs/dbraw/zinc/59/42/05/573594205.db2.gz FPGKBIOWWJGOBI-RNFRBKRXSA-N 0 0 159.229 1.129 10 0 ADAERN Cc1ccc(CCON)c(F)c1 258064167 573594217 /nfs/dbraw/zinc/59/42/17/573594217.db2.gz SWJQYWGNUYOSFO-UHFFFAOYSA-N 0 0 169.199 1.567 10 0 ADAERN Nc1nnc(Nc2ccc(F)cc2)o1 236379495 573594228 /nfs/dbraw/zinc/59/42/28/573594228.db2.gz YNPPRXIROFOZHJ-UHFFFAOYSA-N 0 0 194.169 1.535 10 0 ADAERN C[C@@H]1C(=O)CC[C@H]1C(C)(C)O 238456378 573594248 /nfs/dbraw/zinc/59/42/48/573594248.db2.gz LTLORINJTGXDDO-NKWVEPMBSA-N 0 0 156.225 1.373 10 0 ADAERN Cc1cc(O)ccc1-n1ccnc1 83696259 573594271 /nfs/dbraw/zinc/59/42/71/573594271.db2.gz KSXIYBCQGYDAON-UHFFFAOYSA-N 0 0 174.203 1.886 10 0 ADAERN CCC(=O)[C@@H](C)CCC(C)=O 78505920 573594272 /nfs/dbraw/zinc/59/42/72/573594272.db2.gz PVCMUUYPBICCCW-ZETCQYMHSA-N 0 0 156.225 1.971 10 0 ADAERN C[C@H](O)[C@@H](C)Nc1cccc(CO)c1 238456191 573594274 /nfs/dbraw/zinc/59/42/74/573594274.db2.gz VXJKFCLUDAIYJU-BDAKNGLRSA-N 0 0 195.262 1.360 10 0 ADAERN CCCOc1cc(N(C)C)ncn1 393538816 573594276 /nfs/dbraw/zinc/59/42/76/573594276.db2.gz OIJMCUUPPPUQHC-UHFFFAOYSA-N 0 0 181.239 1.331 10 0 ADAERN Cc1ncc2c(N)coc2n1 75522734 573594300 /nfs/dbraw/zinc/59/43/00/573594300.db2.gz BRTDPKUKPLCNRA-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN CC[NH2+][C@@H](C)CCC[C@@H](C)C(=O)[O-] 83682334 573594305 /nfs/dbraw/zinc/59/43/05/573594305.db2.gz UDINHJATALWBHT-BDAKNGLRSA-N 0 0 187.283 1.875 10 0 ADAERN CC(=O)c1cnc(C(C)(C)C)n1C 75518081 573594309 /nfs/dbraw/zinc/59/43/09/573594309.db2.gz SJZUMMUWJUOKKN-UHFFFAOYSA-N 0 0 180.251 1.920 10 0 ADAERN C=C[Si](C)(C)CCO 238455882 573594341 /nfs/dbraw/zinc/59/43/41/573594341.db2.gz XIRHWPBNSBVLKZ-UHFFFAOYSA-N 0 0 130.263 1.412 10 0 ADAERN Nc1cc2c3c(c1)OCCN3CCC2 258064209 573594353 /nfs/dbraw/zinc/59/43/53/573594353.db2.gz SWWDKYQXOFIHQH-UHFFFAOYSA-N 0 0 190.246 1.414 10 0 ADAERN Cc1nccc([C@@H](O)CCCCF)n1 308631943 573594366 /nfs/dbraw/zinc/59/43/66/573594366.db2.gz ZHTHWUBQUXTTCJ-JTQLQIEISA-N 0 0 198.241 1.958 10 0 ADAERN Cc1nc(N)oc1Cc1ccco1 258504043 573594368 /nfs/dbraw/zinc/59/43/68/573594368.db2.gz DQIQXSGXZIUIAO-UHFFFAOYSA-N 0 0 178.191 1.749 10 0 ADAERN Cc1ccsc1-c1c[nH]c(NN)n1 259136924 573594369 /nfs/dbraw/zinc/59/43/69/573594369.db2.gz RJXMTIFEZSGJAW-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN C[C@H]1CC(=O)Oc2cccc(O)c21 238455553 573594399 /nfs/dbraw/zinc/59/43/99/573594399.db2.gz MTRSHPDJVWMMPZ-LURJTMIESA-N 0 0 178.187 1.805 10 0 ADAERN Clc1ccc2c(c1)NNCC2 258064239 573594424 /nfs/dbraw/zinc/59/44/24/573594424.db2.gz SXNRPLCBCXULQD-UHFFFAOYSA-N 0 0 168.627 1.813 10 0 ADAERN CC(C)CC(=O)c1ccn(C)c1N 75511603 573594461 /nfs/dbraw/zinc/59/44/61/573594461.db2.gz JDQDZGRLFRCANK-UHFFFAOYSA-N 0 0 180.251 1.836 10 0 ADAERN COC(=O)/C=C(\C)c1cn(C)nc1C 308405443 573594490 /nfs/dbraw/zinc/59/44/90/573594490.db2.gz BLSJDTPXSXOPHR-FNORWQNLSA-N 0 0 194.234 1.305 10 0 ADAERN CONCc1ccc(C)cc1C=O 258066795 573594492 /nfs/dbraw/zinc/59/44/92/573594492.db2.gz TXNNGTXMPKZYDZ-UHFFFAOYSA-N 0 0 179.219 1.459 10 0 ADAERN COC(=O)c1nc(C(C)C)cn1C 259616168 573594499 /nfs/dbraw/zinc/59/44/99/573594499.db2.gz FKTRCUBRRIWAMN-UHFFFAOYSA-N 0 0 182.223 1.330 10 0 ADAERN Cc1ccccc1[C@@H](C)[C@@H]([NH3+])C(=O)[O-] 107424470 573594504 /nfs/dbraw/zinc/59/45/04/573594504.db2.gz WLKQYWCVYKPBNI-PSASIEDQSA-N 0 0 193.246 1.510 10 0 ADAERN Cn1c(C=O)ccc1N1CCCCC1 75511143 573594508 /nfs/dbraw/zinc/59/45/08/573594508.db2.gz PDBRQNMHFXUEIS-UHFFFAOYSA-N 0 0 192.262 1.828 10 0 ADAERN CC(C)[C@@H](CO)C(=O)NC1CCCC1 258813565 573594519 /nfs/dbraw/zinc/59/45/19/573594519.db2.gz UMNLMVKQPARCLY-SNVBAGLBSA-N 0 0 199.294 1.310 10 0 ADAERN CCC(=O)CSc1cccc[n+]1[O-] 393538847 573594533 /nfs/dbraw/zinc/59/45/33/573594533.db2.gz OPGLFQPSHJRLNG-UHFFFAOYSA-N 0 0 197.259 1.391 10 0 ADAERN CCCOCCOC(=O)C1CCC1 308405356 573594568 /nfs/dbraw/zinc/59/45/68/573594568.db2.gz JICKYYMDUPZAOM-UHFFFAOYSA-N 0 0 186.251 1.756 10 0 ADAERN Nc1nnc(Nc2ccccc2F)o1 236379751 573594603 /nfs/dbraw/zinc/59/46/03/573594603.db2.gz OVQGXPSVLYLGMR-UHFFFAOYSA-N 0 0 194.169 1.535 10 0 ADAERN CON(C)[C@@H]1CCc2cc(N)ccc21 86731142 573594615 /nfs/dbraw/zinc/59/46/15/573594615.db2.gz UIZPSFGQUNRGJV-LLVKDONJSA-N 0 0 192.262 1.749 10 0 ADAERN C[C@@H]1Cc2c(cnn2C(N)=O)[C@H](C)C1 238455487 573594621 /nfs/dbraw/zinc/59/46/21/573594621.db2.gz YLPDQIZPQJWWFX-NKWVEPMBSA-N 0 0 193.250 1.496 10 0 ADAERN C[C@@H]1C[C@H](O)O[C@@]2(O)CCCC[C@@H]12 238455403 573594625 /nfs/dbraw/zinc/59/46/25/573594625.db2.gz STDPAJMWGOPRDB-RGOKHQFPSA-N 0 0 186.251 1.240 10 0 ADAERN C[C@H]1CNc2cccc(O)c2N1 259135288 573594629 /nfs/dbraw/zinc/59/46/29/573594629.db2.gz GXAPJQKURUNWGA-LURJTMIESA-N 0 0 164.208 1.618 10 0 ADAERN C[C@H]1C[C@](C)(O)c2cc(N)ccc21 238455264 573594632 /nfs/dbraw/zinc/59/46/32/573594632.db2.gz DFGSWTRSPMOCFH-CPCISQLKSA-N 0 0 177.247 1.984 10 0 ADAERN CCC(C)(C)C(=O)NC1(CO)CC1 126626507 573594643 /nfs/dbraw/zinc/59/46/43/573594643.db2.gz OKBVJACAZCWNOO-UHFFFAOYSA-N 0 0 185.267 1.064 10 0 ADAERN C=C[Si](C)(C)/C=C/CO 238455170 573594675 /nfs/dbraw/zinc/59/46/75/573594675.db2.gz LATRLONGMSZTIS-FNORWQNLSA-N 0 0 142.274 1.508 10 0 ADAERN CC[NH2+]CC(=O)N(C)C1=CCCC1 393538925 573594687 /nfs/dbraw/zinc/59/46/87/573594687.db2.gz PJUWLAUVYZFDNC-UHFFFAOYSA-N 0 0 182.267 1.122 10 0 ADAERN Cc1cc(N)nc(C=O)c1C(F)F 238455805 573594689 /nfs/dbraw/zinc/59/46/89/573594689.db2.gz BSXKEVLSSFIPRA-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C1CCn2nc([C@H]3CCCO3)nc2C1 258410304 573594697 /nfs/dbraw/zinc/59/46/97/573594697.db2.gz OAENDWNZBYONEV-MRVPVSSYSA-N 0 0 193.250 1.466 10 0 ADAERN C=CC(=O)N1CCC[C@@H]2CCC[C@@H]21 83700081 573594706 /nfs/dbraw/zinc/59/47/06/573594706.db2.gz AFFZKVAULBCMCJ-UWVGGRQHSA-N 0 0 179.263 1.964 10 0 ADAERN C[C@H](O)[C@@H](C)C=C1CC1 238455470 573594710 /nfs/dbraw/zinc/59/47/10/573594710.db2.gz SQVYRYFFQRMYBK-BQBZGAKWSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@]1(Cl)C2(CC2)[C@]12C[C@@H]2CO 238457297 573598064 /nfs/dbraw/zinc/59/80/64/573598064.db2.gz XBABQPGOUVWARC-FJXKBIBVSA-N 0 0 172.655 1.776 10 0 ADAERN Nc1ncccc1C(=O)[C@H]1CCCO1 83710930 573598067 /nfs/dbraw/zinc/59/80/67/573598067.db2.gz WQWBPNHGFRQMHM-MRVPVSSYSA-N 0 0 192.218 1.026 10 0 ADAERN CCn1ccnc1[C@@H](O)[C@@H]1CCCO1 83711433 573598086 /nfs/dbraw/zinc/59/80/86/573598086.db2.gz BMPTVXGGRHUDHK-IUCAKERBSA-N 0 0 196.250 1.115 10 0 ADAERN O[C@@H](c1cncc(F)c1)[C@@H]1CCCO1 83711934 573598112 /nfs/dbraw/zinc/59/81/12/573598112.db2.gz DGHPJDIWEBSFLH-UWVGGRQHSA-N 0 0 197.209 1.433 10 0 ADAERN O[C@H]1CCC[C@H](Oc2cnccn2)C1 259523250 573598115 /nfs/dbraw/zinc/59/81/15/573598115.db2.gz LAEDPYAPMGQLEM-IUCAKERBSA-N 0 0 194.234 1.159 10 0 ADAERN C=C/C=C/[C@H](C)[C@H](C)O 238456954 573598122 /nfs/dbraw/zinc/59/81/22/573598122.db2.gz WVJQMLTTXRTMOI-JBGJSGBSSA-N 0 0 126.199 1.746 10 0 ADAERN CC(=O)c1cccc2c1c(=O)on2C 257836010 573598126 /nfs/dbraw/zinc/59/81/26/573598126.db2.gz KSMAEXAWIGLNKL-UHFFFAOYSA-N 0 0 191.186 1.334 10 0 ADAERN NOC[C@@H]1COc2ccc(F)cc21 258070614 573598140 /nfs/dbraw/zinc/59/81/40/573598140.db2.gz MHCNNIYXZILOEC-LURJTMIESA-N 0 0 183.182 1.192 10 0 ADAERN NOC[C@H]1COc2ccc(F)cc21 258070616 573598148 /nfs/dbraw/zinc/59/81/48/573598148.db2.gz MHCNNIYXZILOEC-ZCFIWIBFSA-N 0 0 183.182 1.192 10 0 ADAERN Cc1cc(-c2cc[nH]c2)n(C)n1 259139639 573598161 /nfs/dbraw/zinc/59/81/61/573598161.db2.gz TVUCCSNIQBANBU-UHFFFAOYSA-N 0 0 161.208 1.724 10 0 ADAERN CCC(=O)NC[C@@H](C)CC 78731069 573598168 /nfs/dbraw/zinc/59/81/68/573598168.db2.gz QAZPIVAWBRHUJF-ZETCQYMHSA-N 0 0 143.230 1.559 10 0 ADAERN COc1cccc(C[C@@H](F)CO)c1 257836188 573598181 /nfs/dbraw/zinc/59/81/81/573598181.db2.gz KZBJUEFSSKDXTM-SECBINFHSA-N 0 0 184.210 1.568 10 0 ADAERN C[C@H]1Cc2ccc(CCO)cc2N1 258070708 573598205 /nfs/dbraw/zinc/59/82/05/573598205.db2.gz MHZFJYAYXWZRPS-QMMMGPOBSA-N 0 0 177.247 1.578 10 0 ADAERN CC[NH+](CC)C[C@](C)(F)CC(=O)[O-] 257835964 573598223 /nfs/dbraw/zinc/59/82/23/573598223.db2.gz KRLOPIMKXYOSEK-SECBINFHSA-N 0 0 191.246 1.531 10 0 ADAERN C[C@]1(C[C@H]2CO2)CCCCC1=O 238456579 573598233 /nfs/dbraw/zinc/59/82/33/573598233.db2.gz STVDTXSGRHVVSL-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN Cc1cc(N)[nH]c(=O)c1C(F)F 238456515 573598256 /nfs/dbraw/zinc/59/82/56/573598256.db2.gz SEGWMZAWRGTGEO-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C[C@@]1(c2ccc(CO)cc2)CCOC1 259523536 573598271 /nfs/dbraw/zinc/59/82/71/573598271.db2.gz AONSYABENFHOOT-GFCCVEGCSA-N 0 0 192.258 1.857 10 0 ADAERN CC(C)C[C@H](O)[C@@H]1CCCO1 83711310 573598275 /nfs/dbraw/zinc/59/82/75/573598275.db2.gz WRBJLLBJZPUEAV-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN C[C@H](O)[C@H]1CCc2cccnc21 86735244 573598282 /nfs/dbraw/zinc/59/82/82/573598282.db2.gz MSBIZKNOJSEADO-IONNQARKSA-N 0 0 163.220 1.492 10 0 ADAERN O[C@@H]1CCSC[C@@H]1CCF 259523515 573598299 /nfs/dbraw/zinc/59/82/99/573598299.db2.gz ANILXOWVLLHRGF-NKWVEPMBSA-N 0 0 164.245 1.460 10 0 ADAERN CCc1ncoc1CCC(=O)OC 259616177 573598316 /nfs/dbraw/zinc/59/83/16/573598316.db2.gz FKYLVDXJJGVDCU-UHFFFAOYSA-N 0 0 183.207 1.343 10 0 ADAERN O=C(c1cncc(F)c1)[C@@H]1CCCO1 83710961 573598317 /nfs/dbraw/zinc/59/83/17/573598317.db2.gz KQPZOETZBORCSA-VIFPVBQESA-N 0 0 195.193 1.582 10 0 ADAERN CC1=CN[C@@H](C)CC1=O 238457447 573598331 /nfs/dbraw/zinc/59/83/31/573598331.db2.gz OPDPEZDMVBFQTM-RITPCOANSA-N 0 0 125.171 1.055 10 0 ADAERN CCn1cc([C@H](O)[C@@H]2CCCO2)cn1 83711378 573598334 /nfs/dbraw/zinc/59/83/34/573598334.db2.gz CIOAUISBVAMYHN-UWVGGRQHSA-N 0 0 196.250 1.115 10 0 ADAERN CC(C)C[C@H](O)[C@H]1CCCO1 83711316 573598374 /nfs/dbraw/zinc/59/83/74/573598374.db2.gz WRBJLLBJZPUEAV-DTWKUNHWSA-N 0 0 158.241 1.572 10 0 ADAERN O=Cc1csc([C@H]2CCCO2)n1 83710572 573598383 /nfs/dbraw/zinc/59/83/83/573598383.db2.gz GKSXANHHHVNTEY-SSDOTTSWSA-N 0 0 183.232 1.807 10 0 ADAERN CC(C)[C@H](CO)CN(C)c1ccc[nH]1 259137306 573598392 /nfs/dbraw/zinc/59/83/92/573598392.db2.gz ZJQIBHBJOHYREO-JTQLQIEISA-N 0 0 196.294 1.715 10 0 ADAERN C[C@@H]1c2ccccc2CC[C@H]1C(N)=O 238456798 573598401 /nfs/dbraw/zinc/59/84/01/573598401.db2.gz BYVOWAFEWYQBOY-LDYMZIIASA-N 0 0 189.258 1.838 10 0 ADAERN COC(=O)c1cc2cccnc2cn1 259616169 573598426 /nfs/dbraw/zinc/59/84/26/573598426.db2.gz FKWGGSZRSAHAEK-UHFFFAOYSA-N 0 0 188.186 1.416 10 0 ADAERN O=Cc1cscc1-c1cn[nH]c1 75525300 573598429 /nfs/dbraw/zinc/59/84/29/573598429.db2.gz YSRHJVOYUHKCHB-UHFFFAOYSA-N 0 0 178.216 1.951 10 0 ADAERN C#[N+]c1nc(C(=O)OC)[n-]c1C 259523121 573598451 /nfs/dbraw/zinc/59/84/51/573598451.db2.gz DNCLQXPMDWQNED-UHFFFAOYSA-N 0 0 165.152 1.056 10 0 ADAERN O=C(CC1CC1)[C@@H]1CCCO1 83710661 573598487 /nfs/dbraw/zinc/59/84/87/573598487.db2.gz ICYFFCQZPQFBTO-VIFPVBQESA-N 0 0 154.209 1.535 10 0 ADAERN O[C@@H]1CCC[C@H](Oc2cnccn2)C1 259523247 573598489 /nfs/dbraw/zinc/59/84/89/573598489.db2.gz LAEDPYAPMGQLEM-BDAKNGLRSA-N 0 0 194.234 1.159 10 0 ADAERN NNc1ccc2c(c1)NCCS2 259137677 573598495 /nfs/dbraw/zinc/59/84/95/573598495.db2.gz ILJLCUYBMNZWAM-UHFFFAOYSA-N 0 0 181.264 1.490 10 0 ADAERN CCc1cocc1C=O 75525406 573598497 /nfs/dbraw/zinc/59/84/97/573598497.db2.gz ZTIQKUMEEQAXOL-UHFFFAOYSA-N 0 0 124.139 1.655 10 0 ADAERN CC(C)[C@H]1CC(=O)N[C@@H]1C 78730959 573598508 /nfs/dbraw/zinc/59/85/08/573598508.db2.gz ZFKUBZJYPBMDMD-RNFRBKRXSA-N 0 0 141.214 1.167 10 0 ADAERN C[C@H]1CC(=O)[C@@H]2CC[C@H]12 238456613 573598519 /nfs/dbraw/zinc/59/85/19/573598519.db2.gz BGVHFGMQMJKLDY-RRKCRQDMSA-N 0 0 124.183 1.622 10 0 ADAERN C[C@@]12NC(=O)C[C@@H]1SCCS2 238457176 573598527 /nfs/dbraw/zinc/59/85/27/573598527.db2.gz NXJQXONJGYUTHC-FSPLSTOPSA-N 0 0 189.305 1.071 10 0 ADAERN CC1(C)Nc2sccc2NC1=O 75527147 573598531 /nfs/dbraw/zinc/59/85/31/573598531.db2.gz BVFCJYYOCABAAC-UHFFFAOYSA-N 0 0 182.248 1.891 10 0 ADAERN O[C@H](c1ccsc1)[C@H]1CCCO1 83711619 573598543 /nfs/dbraw/zinc/59/85/43/573598543.db2.gz YYGOCOMUWJNZRE-RKDXNWHRSA-N 0 0 184.260 1.961 10 0 ADAERN O[C@H](Cc1ccccc1)[C@H]1CCCO1 83711269 573598550 /nfs/dbraw/zinc/59/85/50/573598550.db2.gz VTTAHPKMGUFXGS-VXGBXAGGSA-N 0 0 192.258 1.769 10 0 ADAERN CC(=O)CCc1cc[nH]c1 78737773 573598555 /nfs/dbraw/zinc/59/85/55/573598555.db2.gz GOOPKFJPROBNDC-UHFFFAOYSA-N 0 0 137.182 1.536 10 0 ADAERN CC(C)[C@@H]1CC(=O)N[C@H]1C 78730955 573598559 /nfs/dbraw/zinc/59/85/59/573598559.db2.gz ZFKUBZJYPBMDMD-BQBZGAKWSA-N 0 0 141.214 1.167 10 0 ADAERN CC1(NC=O)CCCC1 78730827 573598581 /nfs/dbraw/zinc/59/85/81/573598581.db2.gz XBMRHSBPZGKJRT-UHFFFAOYSA-N 0 0 127.187 1.065 10 0 ADAERN C/C=C\C[N@@H+](CC)[C@@H](C)CC(=O)[O-] 211818102 573598593 /nfs/dbraw/zinc/59/85/93/573598593.db2.gz QNNONQSXZTVYOV-RNEXMXFGSA-N 0 0 185.267 1.748 10 0 ADAERN Cc1ccc([C@H](O)[C@H]2CCCO2)cn1 83711676 573598607 /nfs/dbraw/zinc/59/86/07/573598607.db2.gz GPIQEEMVXFDWRF-MNOVXSKESA-N 0 0 193.246 1.602 10 0 ADAERN O[C@@H](c1cncc(F)c1)[C@H]1CCCO1 83711937 573598630 /nfs/dbraw/zinc/59/86/30/573598630.db2.gz DGHPJDIWEBSFLH-ZJUUUORDSA-N 0 0 197.209 1.433 10 0 ADAERN C[C@H]1[C@H](C(N)=O)CCC1(C)C 238456749 573598668 /nfs/dbraw/zinc/59/86/68/573598668.db2.gz KPTCZDMIOSKJFD-NKWVEPMBSA-N 0 0 155.241 1.544 10 0 ADAERN CCc1cnn(-c2ncccc2N)c1 214524289 573598703 /nfs/dbraw/zinc/59/87/03/573598703.db2.gz JSLDNDYYOGTGLO-UHFFFAOYSA-N 0 0 188.234 1.412 10 0 ADAERN COC[C@H](O)[C@H]1CCc2cccnc21 86736145 573598712 /nfs/dbraw/zinc/59/87/12/573598712.db2.gz ULMFPAPPJYYRES-ZJUUUORDSA-N 0 0 193.246 1.119 10 0 ADAERN O[C@H](Cc1cccs1)[C@H]1CCCO1 83711812 573598722 /nfs/dbraw/zinc/59/87/22/573598722.db2.gz OFHMQKKOPBCFBM-NXEZZACHSA-N 0 0 198.287 1.831 10 0 ADAERN CCn1nccc1[C@H](O)[C@@H]1CCCO1 83711687 573598741 /nfs/dbraw/zinc/59/87/41/573598741.db2.gz SWDYWPKCTUSDAP-UWVGGRQHSA-N 0 0 196.250 1.115 10 0 ADAERN CN[C@H](C(F)F)[C@@]1(C)C[C@@H]1C 714719213 573602664 /nfs/dbraw/zinc/60/26/64/573602664.db2.gz JDBMALUHEQSMFH-BBVRLYRLSA-N 0 0 163.211 1.886 10 0 ADAERN Nc1nc(-c2ccccc2)sc1N 257836541 573601886 /nfs/dbraw/zinc/60/18/86/573601886.db2.gz KTMCMLCZEFGXFX-UHFFFAOYSA-N 0 0 191.259 1.975 10 0 ADAERN Cn1ccnc1CC(=O)C(F)(F)F 86750950 573601887 /nfs/dbraw/zinc/60/18/87/573601887.db2.gz UHYRLYAKJXYFKN-UHFFFAOYSA-N 0 0 192.140 1.094 10 0 ADAERN CCNc1ccnc([C@@H]2CCCO2)n1 83714637 573601889 /nfs/dbraw/zinc/60/18/89/573601889.db2.gz SNNUWMXIVOQEJU-QMMMGPOBSA-N 0 0 193.250 1.760 10 0 ADAERN O=C(CC1CC1)[C@H]1CCOC1 83716000 573601912 /nfs/dbraw/zinc/60/19/12/573601912.db2.gz JWLGXPZCOVBTLX-QMMMGPOBSA-N 0 0 154.209 1.392 10 0 ADAERN O[C@H](C1CC1)[C@H]1CCc2cccnc21 86735160 573601918 /nfs/dbraw/zinc/60/19/18/573601918.db2.gz ZEXVNMLVSBKATG-CMPLNLGQSA-N 0 0 189.258 1.882 10 0 ADAERN COC(=O)C1(C(=O)c2cc[nH]c2)CC1 259140200 573601922 /nfs/dbraw/zinc/60/19/22/573601922.db2.gz NCARMZSRQQIPTC-UHFFFAOYSA-N 0 0 193.202 1.151 10 0 ADAERN CC(=O)c1nc([C@H]2CCCO2)no1 83715106 573601939 /nfs/dbraw/zinc/60/19/39/573601939.db2.gz BSMNFXKTQKTSHL-ZCFIWIBFSA-N 0 0 182.179 1.124 10 0 ADAERN CCOC(=O)CN[C@@H]1[C@H]2CCCC[C@H]21 308648798 573601947 /nfs/dbraw/zinc/60/19/47/573601947.db2.gz JDZJBMNNGSLHNK-JZYVYDRUSA-N 0 0 197.278 1.328 10 0 ADAERN CC(=O)Cc1nc([C@@H]2CCCO2)no1 83715108 573601949 /nfs/dbraw/zinc/60/19/49/573601949.db2.gz ZOZPSBZNUFPGOR-ZETCQYMHSA-N 0 0 196.206 1.053 10 0 ADAERN CC(C)C[C@H]([NH3+])[C@H]1C[C@@H]1C(=O)[O-] 259124733 573601977 /nfs/dbraw/zinc/60/19/77/573601977.db2.gz CDOCJJDDFUSKSU-FXQIFTODSA-N 0 0 171.240 1.081 10 0 ADAERN COC(=O)c1c(C)ccc2c1NCC2 259527813 573602032 /nfs/dbraw/zinc/60/20/32/573602032.db2.gz REQVUKBBQXTNGA-UHFFFAOYSA-N 0 0 191.230 1.750 10 0 ADAERN C1CO[C@@H](c2noc(NC3CC3)n2)C1 83714782 573602034 /nfs/dbraw/zinc/60/20/34/573602034.db2.gz JZPBLIJENPWIQQ-SSDOTTSWSA-N 0 0 195.222 1.495 10 0 ADAERN O[C@H](C1CC1)[C@@H]1CCc2cccnc21 86735158 573602037 /nfs/dbraw/zinc/60/20/37/573602037.db2.gz ZEXVNMLVSBKATG-ZYHUDNBSSA-N 0 0 189.258 1.882 10 0 ADAERN C[C@H](F)C[C@H]1CSC[C@H]1O 259527965 573602056 /nfs/dbraw/zinc/60/20/56/573602056.db2.gz AXAWZIGHRJSJCQ-LYFYHCNISA-N 0 0 164.245 1.458 10 0 ADAERN O=C1C[C@H]2CNc3ccccc3[C@@H]2N1 224390595 573602063 /nfs/dbraw/zinc/60/20/63/573602063.db2.gz YTSHXKLXUANLGQ-WRWORJQWSA-N 0 0 188.230 1.289 10 0 ADAERN CO[C@]1(CO)CCc2ccc(O)cc21 257836651 573602077 /nfs/dbraw/zinc/60/20/77/573602077.db2.gz KYHHXMVUNMCFKY-NSHDSACASA-N 0 0 194.230 1.172 10 0 ADAERN Cc1cc(C)c(C)c(NN)c1 75538902 573602091 /nfs/dbraw/zinc/60/20/91/573602091.db2.gz MWZPHSSNZYVQKO-UHFFFAOYSA-N 0 0 150.225 1.897 10 0 ADAERN CCn1nccc1C(=O)[C@H]1CCOC1 83716073 573602098 /nfs/dbraw/zinc/60/20/98/573602098.db2.gz NYZAERUQSOLMPK-QMMMGPOBSA-N 0 0 194.234 1.122 10 0 ADAERN CCc1ccc(C[C@H](C)O)nc1 86735231 573602116 /nfs/dbraw/zinc/60/21/16/573602116.db2.gz GTGYTFKTFRKLTJ-QMMMGPOBSA-N 0 0 165.236 1.567 10 0 ADAERN CCNc1nc([C@@H]2CCOC2)no1 83718044 573602117 /nfs/dbraw/zinc/60/21/17/573602117.db2.gz LTHQYQGHDMBWNB-ZCFIWIBFSA-N 0 0 183.211 1.005 10 0 ADAERN COC(=O)c1c[nH]c([C@@H]2CCCO2)n1 83714750 573602123 /nfs/dbraw/zinc/60/21/23/573602123.db2.gz WJNICEBUOSZXCA-ZETCQYMHSA-N 0 0 196.206 1.048 10 0 ADAERN C[C@H](c1ccc(F)cc1)[C@@H]([NH3+])C(=O)[O-] 107433115 573602125 /nfs/dbraw/zinc/60/21/25/573602125.db2.gz GZBHQWQTTDWPJO-HZGVNTEJSA-N 0 0 197.209 1.341 10 0 ADAERN CCc1nnn(C2CCC2)c1C=O 257836366 573602139 /nfs/dbraw/zinc/60/21/39/573602139.db2.gz LCTBBQPUWNWEAV-UHFFFAOYSA-N 0 0 179.223 1.378 10 0 ADAERN O[C@@H]1COC[C@H]1Cc1ccsc1 687970493 573602179 /nfs/dbraw/zinc/60/21/79/573602179.db2.gz SOLHMWBCWRWBRK-RKDXNWHRSA-N 0 0 184.260 1.298 10 0 ADAERN CC(C)C[C@@H](O)CNCc1cocn1 308647917 573602189 /nfs/dbraw/zinc/60/21/89/573602189.db2.gz IQZBCIFNAUXZFI-SNVBAGLBSA-N 0 0 198.266 1.171 10 0 ADAERN Cc1ccc([C@H](N)NN)c(C)c1C 259525920 573602198 /nfs/dbraw/zinc/60/21/98/573602198.db2.gz SLLGWKJJSWOVNJ-SNVBAGLBSA-N 0 0 179.267 1.032 10 0 ADAERN CCCC[N@@H+]1CCC/C(=C/C(=O)[O-])C1 259124389 573602208 /nfs/dbraw/zinc/60/22/08/573602208.db2.gz HMUPAQFONFPPNH-NTMALXAHSA-N 0 0 197.278 1.893 10 0 ADAERN CCn1[nH]c(=O)c2c(OC)cccc21 257836589 573602228 /nfs/dbraw/zinc/60/22/28/573602228.db2.gz KVVFFMMLFHQSHH-UHFFFAOYSA-N 0 0 192.218 1.358 10 0 ADAERN CCc1c(F)cc(CCO)cc1OC 258071494 573602235 /nfs/dbraw/zinc/60/22/35/573602235.db2.gz IAAUYVHSRDIZPA-UHFFFAOYSA-N 0 0 198.237 1.932 10 0 ADAERN Cc1ccc(C(=O)[C@@H]2CCOC2)cn1 83716158 573602240 /nfs/dbraw/zinc/60/22/40/573602240.db2.gz MCEHLQZSMILJJR-SNVBAGLBSA-N 0 0 191.230 1.609 10 0 ADAERN COc1c(Cl)ccc2c1C(=O)NC2 238447073 573602249 /nfs/dbraw/zinc/60/22/49/573602249.db2.gz PLCKXNXKAOODGI-UHFFFAOYSA-N 0 0 197.621 1.592 10 0 ADAERN C[C@@]12CC[C@@H]1C(=O)CCC2=O 238446861 573602280 /nfs/dbraw/zinc/60/22/80/573602280.db2.gz UMJOTSOXLNWHTM-HZGVNTEJSA-N 0 0 152.193 1.335 10 0 ADAERN C[C@H](O)c1csc([C@@H]2CCOC2)n1 83717970 573602281 /nfs/dbraw/zinc/60/22/81/573602281.db2.gz OLLGEQQUACRXQU-NKWVEPMBSA-N 0 0 199.275 1.700 10 0 ADAERN C1C[C@H](c2noc(NC3CC3)n2)CO1 83718056 573602291 /nfs/dbraw/zinc/60/22/91/573602291.db2.gz CHQXWHUXQMHKNO-LURJTMIESA-N 0 0 195.222 1.148 10 0 ADAERN CC[C@@H](O)[C@H]1CCc2cccnc21 86735265 573602300 /nfs/dbraw/zinc/60/23/00/573602300.db2.gz NSOKIDODCJHVRI-NXEZZACHSA-N 0 0 177.247 1.882 10 0 ADAERN C[C@H](O)c1cc2ccsc2c(=O)o1 238446491 573602304 /nfs/dbraw/zinc/60/23/04/573602304.db2.gz AHHALGKKKGKJPU-YFKPBYRVSA-N 0 0 196.227 1.908 10 0 ADAERN C[C@H]1CC[C@@H](c2ccoc2)NC1=O 238447130 573602315 /nfs/dbraw/zinc/60/23/15/573602315.db2.gz LZGYPVLUPSWHKX-CBAPKCEASA-N 0 0 179.219 1.867 10 0 ADAERN Clc1nc([C@@H]2CCCO2)no1 83714300 573602320 /nfs/dbraw/zinc/60/23/20/573602320.db2.gz VMWCBXRFVILECA-BYPYZUCNSA-N 0 0 174.587 1.575 10 0 ADAERN C[Si](C)(C)[C@@H]1CC[C@H](O)[C@@H](O)C1 238446339 573602321 /nfs/dbraw/zinc/60/23/21/573602321.db2.gz NBSPBJVCGGNYRI-VGMNWLOBSA-N 0 0 188.343 1.601 10 0 ADAERN Nc1cc(-c2ccc3c[nH]nc3c2)[nH]n1 258071628 573602330 /nfs/dbraw/zinc/60/23/30/573602330.db2.gz IDSPZJCQVVLPNP-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN C[C@H]([NH3+])c1ccc2ncccc2n1 238446362 573602354 /nfs/dbraw/zinc/60/23/54/573602354.db2.gz HFGXXYXWZCUORN-ZETCQYMHSA-N 0 0 173.219 1.650 10 0 ADAERN Cc1cc(CO)nc([C@H]2CCCO2)n1 83714906 573602357 /nfs/dbraw/zinc/60/23/57/573602357.db2.gz BKZPLHNDXBSNRU-SECBINFHSA-N 0 0 194.234 1.129 10 0 ADAERN CCNc1nc([C@@H]2CCCO2)ns1 83715466 573602383 /nfs/dbraw/zinc/60/23/83/573602383.db2.gz CZXJIJXZUBMFAN-LURJTMIESA-N 0 0 199.279 1.821 10 0 ADAERN C[C@H](C(=O)[O-])[C@H]1CC[N@@H+]2CCC[C@@H]2C1 107433523 573602410 /nfs/dbraw/zinc/60/24/10/573602410.db2.gz YOUPIKJASDVMFD-LPEHRKFASA-N 0 0 197.278 1.582 10 0 ADAERN C[C@@]12CC[C@@H](C[C@@H]1NC(N)=O)C2 238446100 573602411 /nfs/dbraw/zinc/60/24/11/573602411.db2.gz ARBVVFYELDAFPJ-ZKWXMUAHSA-N 0 0 168.240 1.233 10 0 ADAERN CN1Cc2ccc(N)cc2N1 75538467 573602426 /nfs/dbraw/zinc/60/24/26/573602426.db2.gz FTVZUHSCVJZRDC-UHFFFAOYSA-N 0 0 149.197 1.041 10 0 ADAERN OCC[C@H]1CCc2cccnc21 86737615 573602430 /nfs/dbraw/zinc/60/24/30/573602430.db2.gz QPZFHCRQUIQSOO-SECBINFHSA-N 0 0 163.220 1.494 10 0 ADAERN Oc1cccc2c1OCC1(CC1)CN2 259140442 573602438 /nfs/dbraw/zinc/60/24/38/573602438.db2.gz HFGZRIRKEAHVJS-UHFFFAOYSA-N 0 0 191.230 1.977 10 0 ADAERN C[C@H](O)[C@@H]1CCc2cccnc21 86735240 573602439 /nfs/dbraw/zinc/60/24/39/573602439.db2.gz MSBIZKNOJSEADO-CBAPKCEASA-N 0 0 163.220 1.492 10 0 ADAERN Cc1cc(C=O)nc([C@H]2CCOC2)n1 83718079 573602443 /nfs/dbraw/zinc/60/24/43/573602443.db2.gz GJZLWTKTHUBANW-QMMMGPOBSA-N 0 0 192.218 1.101 10 0 ADAERN CCOC(=O)NCc1ncoc1C 308405833 573602452 /nfs/dbraw/zinc/60/24/52/573602452.db2.gz JQUKNWLWUAKKMT-UHFFFAOYSA-N 0 0 184.195 1.229 10 0 ADAERN Cc1cc(N)nc([C@H]2CCCO2)n1 83714562 573602453 /nfs/dbraw/zinc/60/24/53/573602453.db2.gz BBAUFPDYKPRTNJ-SSDOTTSWSA-N 0 0 179.223 1.219 10 0 ADAERN C[C@@H](c1cccc(F)c1)[C@@H]([NH3+])C(=O)[O-] 107433102 573602457 /nfs/dbraw/zinc/60/24/57/573602457.db2.gz QSHAPPOOWLRLMP-IMTBSYHQSA-N 0 0 197.209 1.341 10 0 ADAERN Cn1nc(N)c(Cl)c1C(F)(F)F 107435538 573602460 /nfs/dbraw/zinc/60/24/60/573602460.db2.gz KAMMGXKYYBIKOB-UHFFFAOYSA-N 0 0 199.563 1.675 10 0 ADAERN C[C@@H](O)[C@@H]1CCCc2cccnc21 86735236 573602464 /nfs/dbraw/zinc/60/24/64/573602464.db2.gz RWGVTWLTRYATSA-SCZZXKLOSA-N 0 0 177.247 1.882 10 0 ADAERN CCCC(C(=O)OCC)=C(N)CC 116317779 573602465 /nfs/dbraw/zinc/60/24/65/573602465.db2.gz ZTWKEWLKUGCBRU-HJWRWDBZSA-N 0 0 185.267 1.972 10 0 ADAERN CNc1nc(C)nnc1C(C)C 259140290 573602471 /nfs/dbraw/zinc/60/24/71/573602471.db2.gz JTZFXEOWNJRCPV-UHFFFAOYSA-N 0 0 166.228 1.345 10 0 ADAERN CC(C)C(=O)[C@@H](CO)C(C)C 259140476 573602483 /nfs/dbraw/zinc/60/24/83/573602483.db2.gz NGRVSMZVTNWEGT-QMMMGPOBSA-N 0 0 158.241 1.476 10 0 ADAERN C[C@H](O)[C@@H]1CCCc2cccnc21 86735234 573602487 /nfs/dbraw/zinc/60/24/87/573602487.db2.gz RWGVTWLTRYATSA-WPRPVWTQSA-N 0 0 177.247 1.882 10 0 ADAERN C[C@H]1[C@@H](c2ccccc2)[C@@H]1O 238446488 573602489 /nfs/dbraw/zinc/60/24/89/573602489.db2.gz QXAPMZJFIXHCSD-UJNFCWOMSA-N 0 0 148.205 1.781 10 0 ADAERN C[C@H](O)c1cc2c(cn1)OC[C@H]2C 238446175 573602491 /nfs/dbraw/zinc/60/24/91/573602491.db2.gz XUEBKWAOGVQQKN-RQJHMYQMSA-N 0 0 179.219 1.631 10 0 ADAERN Nc1c(C2CCCC2)nnn1C1CC1 257836572 573602519 /nfs/dbraw/zinc/60/25/19/573602519.db2.gz KUXPYTSKZGXUQT-UHFFFAOYSA-N 0 0 192.266 1.853 10 0 ADAERN Oc1ccccc1NC1=NCCOC1 259525796 573602526 /nfs/dbraw/zinc/60/25/26/573602526.db2.gz ATSSJSHJHLAADL-UHFFFAOYSA-N 0 0 192.218 1.233 10 0 ADAERN C[C@H]1CNc2ccccc2N1C=O 238446787 573602542 /nfs/dbraw/zinc/60/25/42/573602542.db2.gz ZOVCOPFRPTZFST-QMMMGPOBSA-N 0 0 176.219 1.463 10 0 ADAERN O=C(c1cncc(F)c1)[C@H]1CCOC1 83716289 573602543 /nfs/dbraw/zinc/60/25/43/573602543.db2.gz NKBAQPOXANBJFG-ZETCQYMHSA-N 0 0 195.193 1.440 10 0 ADAERN [NH3+][C@]1(C(=O)[O-])CCCC12CCCCC2 107433476 573602604 /nfs/dbraw/zinc/60/26/04/573602604.db2.gz BUXDLJGBWLHBCT-NSHDSACASA-N 0 0 197.278 1.903 10 0 ADAERN CC(C)Nc1nc([C@H]2CCOC2)no1 83718052 573602628 /nfs/dbraw/zinc/60/26/28/573602628.db2.gz PSCDPGTUWBUKIH-ZETCQYMHSA-N 0 0 197.238 1.394 10 0 ADAERN C=Cc1nc([C@@H]2CCOC2)no1 83715519 573602636 /nfs/dbraw/zinc/60/26/36/573602636.db2.gz LPLSHYAKDAEMMQ-ZCFIWIBFSA-N 0 0 166.180 1.217 10 0 ADAERN Cc1c(Cl)c(C)n(C)c(=O)c1N 257837020 573606807 /nfs/dbraw/zinc/60/68/07/573606807.db2.gz LESOQBYZMMRFMX-UHFFFAOYSA-N 0 0 186.642 1.238 10 0 ADAERN CCC(CC)CN1C(=O)CN[C@H]1CC 130581736 573606828 /nfs/dbraw/zinc/60/68/28/573606828.db2.gz VQNIRMFTUANDTG-SNVBAGLBSA-N 0 0 198.310 1.591 10 0 ADAERN CC(=O)c1nc([C@H]2CCCOC2)no1 83722721 573606847 /nfs/dbraw/zinc/60/68/47/573606847.db2.gz WVQLKPSKKSUBCN-ZETCQYMHSA-N 0 0 196.206 1.166 10 0 ADAERN Cc1cc2cc(NN)ccc2[nH]1 259124136 573606868 /nfs/dbraw/zinc/60/68/68/573606868.db2.gz HKADITCLCLAMKA-UHFFFAOYSA-N 0 0 161.208 1.762 10 0 ADAERN Cc1ccc(C(=O)C=O)cc1C 75545322 573606880 /nfs/dbraw/zinc/60/68/80/573606880.db2.gz NATLVNNKDPMRAG-UHFFFAOYSA-N 0 0 162.188 1.685 10 0 ADAERN C[C@H](c1ccccc1F)[C@@H]([NH3+])C(=O)[O-] 107433125 573606892 /nfs/dbraw/zinc/60/68/92/573606892.db2.gz HDGZDCZGGLCCOO-HZGVNTEJSA-N 0 0 197.209 1.341 10 0 ADAERN Cn1ccnc1C[C@H]1CCCC1=O 86753273 573606896 /nfs/dbraw/zinc/60/68/96/573606896.db2.gz XTUMQSGNAGQGIZ-MRVPVSSYSA-N 0 0 178.235 1.332 10 0 ADAERN C[C@@H]1[C@@H](O)CC[C@H]1Cc1nccn1C 86754627 573606906 /nfs/dbraw/zinc/60/69/06/573606906.db2.gz MBTAYXSPJMKOIW-GUBZILKMSA-N 0 0 194.278 1.370 10 0 ADAERN Nc1oncc1-c1cccc(O)c1 257837120 573606923 /nfs/dbraw/zinc/60/69/23/573606923.db2.gz MGYFXHVWFSWPAX-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN CCn1ccnc1CC1=C[C@H](O)CC1 86754653 573606926 /nfs/dbraw/zinc/60/69/26/573606926.db2.gz YACYRWAZINOGNQ-SNVBAGLBSA-N 0 0 192.262 1.527 10 0 ADAERN CCn1[nH]c(=O)c2cccc(F)c21 257837007 573606941 /nfs/dbraw/zinc/60/69/41/573606941.db2.gz LEELHMZHYCEVGE-UHFFFAOYSA-N 0 0 180.182 1.489 10 0 ADAERN C[C@H](c1cccc(F)c1)[C@@H]([NH3+])C(=O)[O-] 107433104 573606959 /nfs/dbraw/zinc/60/69/59/573606959.db2.gz QSHAPPOOWLRLMP-HZGVNTEJSA-N 0 0 197.209 1.341 10 0 ADAERN C[C@@H](O)c1nc([C@@H]2CCCOC2)no1 83722752 573606963 /nfs/dbraw/zinc/60/69/63/573606963.db2.gz UJKRYBGLGLVZBA-RNFRBKRXSA-N 0 0 198.222 1.017 10 0 ADAERN C[C@@H](c1ccccc1F)[C@@H]([NH3+])C(=O)[O-] 107433123 573606965 /nfs/dbraw/zinc/60/69/65/573606965.db2.gz HDGZDCZGGLCCOO-IMTBSYHQSA-N 0 0 197.209 1.341 10 0 ADAERN C/C=C/C[N@@H+]1CCC[C@@H]1CCC(=O)[O-] 308647285 573606967 /nfs/dbraw/zinc/60/69/67/573606967.db2.gz IHDKSENCCKDJGO-VMZHVLLKSA-N 0 0 197.278 1.892 10 0 ADAERN CCNc1nc([C@@H]2CCOC2)ns1 83718930 573606972 /nfs/dbraw/zinc/60/69/72/573606972.db2.gz UCCSZFUWYDHEOC-ZCFIWIBFSA-N 0 0 199.279 1.474 10 0 ADAERN CCCc1ccnc(CCC(C)=O)n1 259123683 573606976 /nfs/dbraw/zinc/60/69/76/573606976.db2.gz PTOLDCCVDSYSEW-UHFFFAOYSA-N 0 0 192.262 1.951 10 0 ADAERN CCCC(=O)[C@H]1CCCOC1 83720601 573606977 /nfs/dbraw/zinc/60/69/77/573606977.db2.gz WVSNUCGAZMSDHR-QMMMGPOBSA-N 0 0 156.225 1.782 10 0 ADAERN NOCc1ccccc1OC1CC1 258066872 573606978 /nfs/dbraw/zinc/60/69/78/573606978.db2.gz UAAIMHFZDSRTIA-UHFFFAOYSA-N 0 0 179.219 1.618 10 0 ADAERN C[C@@H]1OCC[C@@H]1[C@H](O)C1=CCCC1 86760312 573606994 /nfs/dbraw/zinc/60/69/94/573606994.db2.gz PPJYIVIQHPAXRE-INTQDDNPSA-N 0 0 182.263 1.883 10 0 ADAERN O[C@H](CC1CC1)[C@H]1CCCOC1 83720746 573607007 /nfs/dbraw/zinc/60/70/07/573607007.db2.gz RTQXNPADPCXDRH-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1nnc([C@H]2CCO[C@H]2C)[nH]1 86758519 573607008 /nfs/dbraw/zinc/60/70/08/573607008.db2.gz LJSYWIQEDIKAQL-FSPLSTOPSA-N 0 0 167.212 1.006 10 0 ADAERN C[C@H](C[C@@H]1CC[C@@H](C)C1=O)NO 238447896 573607015 /nfs/dbraw/zinc/60/70/15/573607015.db2.gz HLIWVIVEBQRKMK-PRJMDXOYSA-N 0 0 171.240 1.359 10 0 ADAERN C/C=C\C[N@@H+]1CCC[C@@H]1CCC(=O)[O-] 308647283 573607021 /nfs/dbraw/zinc/60/70/21/573607021.db2.gz IHDKSENCCKDJGO-MXQLGCADSA-N 0 0 197.278 1.892 10 0 ADAERN C[C@@H](O)c1nc(C2CCOCC2)no1 83720017 573607031 /nfs/dbraw/zinc/60/70/31/573607031.db2.gz RWORDKVTRQFQQX-ZCFIWIBFSA-N 0 0 198.222 1.017 10 0 ADAERN C=Cc1nc([C@H]2CCCOC2)no1 83720124 573607049 /nfs/dbraw/zinc/60/70/49/573607049.db2.gz DXODHRUDNHCCIM-ZETCQYMHSA-N 0 0 180.207 1.607 10 0 ADAERN CCC(C)(C)C(=O)CN1CC(OC)C1 308647809 573607055 /nfs/dbraw/zinc/60/70/55/573607055.db2.gz IFNTZHGOWZDSRF-UHFFFAOYSA-N 0 0 199.294 1.322 10 0 ADAERN CCc1ccc(COC)cc1N 75546801 573607058 /nfs/dbraw/zinc/60/70/58/573607058.db2.gz ZNDJOVAVBWYTOR-UHFFFAOYSA-N 0 0 165.236 1.978 10 0 ADAERN C[C@H]1CCC[C@@H](n2nnnc2N)CC1 235622948 573607073 /nfs/dbraw/zinc/60/70/73/573607073.db2.gz VOLWODBNMIVEKB-JGVFFNPUSA-N 0 0 195.270 1.397 10 0 ADAERN Cc1nc([C@@H](C)NCC2(F)CC2)no1 308648151 573607079 /nfs/dbraw/zinc/60/70/79/573607079.db2.gz IVQOTOVMZFPPLP-ZCFIWIBFSA-N 0 0 199.229 1.531 10 0 ADAERN O=C(c1cccnc1)[C@H]1CCCOC1 83720511 573607088 /nfs/dbraw/zinc/60/70/88/573607088.db2.gz AEZARGAXLZCKPN-JTQLQIEISA-N 0 0 191.230 1.691 10 0 ADAERN CCc1nnc([C@@H]2CCO[C@@H]2C)[nH]1 86758521 573607092 /nfs/dbraw/zinc/60/70/92/573607092.db2.gz GBNQMJQLUVMSES-RNFRBKRXSA-N 0 0 181.239 1.260 10 0 ADAERN C[C@@H]1CC[C@@]2(C)[NH2+]CCN2C1 238447366 573607096 /nfs/dbraw/zinc/60/70/96/573607096.db2.gz HCUOOWTWUFAYOR-BDAKNGLRSA-N 0 0 154.257 1.038 10 0 ADAERN O=Cc1cnc([C@@H]2CCCOC2)nc1 83722480 573607123 /nfs/dbraw/zinc/60/71/23/573607123.db2.gz HCXBDXUTBREZSH-SECBINFHSA-N 0 0 192.218 1.183 10 0 ADAERN Cn1ccnc1C[C@H]1CCC[C@H]1O 86753246 573607129 /nfs/dbraw/zinc/60/71/29/573607129.db2.gz ZLAWDESLKNZXNQ-RKDXNWHRSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@H]1CC=C2CC(=O)[C@@]1(C)C2=O 238448058 573607136 /nfs/dbraw/zinc/60/71/36/573607136.db2.gz MOWUSRXARVINMJ-BYULHYEWSA-N 0 0 164.204 1.357 10 0 ADAERN Clc1n[nH]c([C@@H]2CCCOC2)n1 83722848 573607139 /nfs/dbraw/zinc/60/71/39/573607139.db2.gz IZRKTEBETUFQSF-RXMQYKEDSA-N 0 0 187.630 1.352 10 0 ADAERN COc1c(F)ccc2c1C(=O)NC2 238448287 573607141 /nfs/dbraw/zinc/60/71/41/573607141.db2.gz PNYMIZNSLDBXNI-UHFFFAOYSA-N 0 0 181.166 1.078 10 0 ADAERN CCCCN(C)c1ncc(C[NH3+])cn1 126613342 573607145 /nfs/dbraw/zinc/60/71/45/573607145.db2.gz OIYDEEOKJLSVEB-UHFFFAOYSA-N 0 0 194.282 1.172 10 0 ADAERN OCc1nc(-c2ccc(O)cc2)co1 257837373 573607148 /nfs/dbraw/zinc/60/71/48/573607148.db2.gz LBHIZNXSRKWVDZ-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN O=C1[C@@H](CO)CCN1c1ccccc1 257837377 573607151 /nfs/dbraw/zinc/60/71/51/573607151.db2.gz LBQJBSTUCOJCNO-SECBINFHSA-N 0 0 191.230 1.032 10 0 ADAERN COc1ccc2c(C=O)onc2c1 257837082 573607158 /nfs/dbraw/zinc/60/71/58/573607158.db2.gz LGWKGWCHLJGQFO-UHFFFAOYSA-N 0 0 177.159 1.649 10 0 ADAERN O=Cc1cnc([C@H]2CCCOC2)nc1 83722482 573607178 /nfs/dbraw/zinc/60/71/78/573607178.db2.gz HCXBDXUTBREZSH-VIFPVBQESA-N 0 0 192.218 1.183 10 0 ADAERN O[C@@H](CC1CC1)C1CCOCC1 83719236 573607183 /nfs/dbraw/zinc/60/71/83/573607183.db2.gz CRPBOACTGQMSCX-JTQLQIEISA-N 0 0 170.252 1.574 10 0 ADAERN O=C([C@@H]1CCCOC1)[C@@H]1CCOC1 83720380 573607200 /nfs/dbraw/zinc/60/72/00/573607200.db2.gz LXXDRNJPVULDRH-RKDXNWHRSA-N 0 0 184.235 1.019 10 0 ADAERN COc1ncc(CC(C)C)cc1N 257837080 573607208 /nfs/dbraw/zinc/60/72/08/573607208.db2.gz LGRQQBIOXSEDIL-UHFFFAOYSA-N 0 0 180.251 1.871 10 0 ADAERN Cc1cc2c(cc1O)CCN2C 75545731 573607217 /nfs/dbraw/zinc/60/72/17/573607217.db2.gz JQFZTDCTFWGHON-UHFFFAOYSA-N 0 0 163.220 1.693 10 0 ADAERN O=C(CC1CC1)[C@H]1CCCOC1 83720353 573607225 /nfs/dbraw/zinc/60/72/25/573607225.db2.gz WCRVGHCLBJNBNC-VIFPVBQESA-N 0 0 168.236 1.782 10 0 ADAERN C[C@H]1C=NO[C@@]1(O)c1ccccc1O 238448596 573607237 /nfs/dbraw/zinc/60/72/37/573607237.db2.gz YLKXJVZLSYLOFP-OIBJUYFYSA-N 0 0 193.202 1.189 10 0 ADAERN Oc1cccc2c1C[C@@H](O)CC2 75546115 573607247 /nfs/dbraw/zinc/60/72/47/573607247.db2.gz LNLGJFLOBBEUPK-QMMMGPOBSA-N 0 0 164.204 1.242 10 0 ADAERN C[C@@H]1OCC[C@@H]1c1nnc(C2CC2)[nH]1 86758550 573607260 /nfs/dbraw/zinc/60/72/60/573607260.db2.gz BINCQXNVCCQKOU-XPUUQOCRSA-N 0 0 193.250 1.575 10 0 ADAERN OCc1cc(Cc2ccco2)on1 258411339 573607271 /nfs/dbraw/zinc/60/72/71/573607271.db2.gz DEDHMJGAESZPPL-UHFFFAOYSA-N 0 0 179.175 1.351 10 0 ADAERN O[C@@H](CC1CC1)[C@@H]1CCCOC1 83720753 573607283 /nfs/dbraw/zinc/60/72/83/573607283.db2.gz RTQXNPADPCXDRH-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@H](O)C[C@@H](O)C[Si](C)(C)C 238447441 573607288 /nfs/dbraw/zinc/60/72/88/573607288.db2.gz TZVRIBAMBJKFNF-JGVFFNPUSA-N 0 0 176.332 1.456 10 0 ADAERN C1=CC2=C3CC4=C([C@@H]34)[C@@H]2N=C1 96341688 573607306 /nfs/dbraw/zinc/60/73/06/573607306.db2.gz OCKIMODCXQMMBG-WCBMZHEXSA-N 0 0 141.173 1.636 10 0 ADAERN C[C@@H](Nc1cccc(O)c1)C(C)(C)O 83725729 573607346 /nfs/dbraw/zinc/60/73/46/573607346.db2.gz PIODMQKSXFGPAA-MRVPVSSYSA-N 0 0 195.262 1.964 10 0 ADAERN CC(C)(C)[C@H]([NH3+])C(F)(F)C(=O)[O-] 142722116 573607375 /nfs/dbraw/zinc/60/73/75/573607375.db2.gz PHBBDLGNSJAVJC-BYPYZUCNSA-N 0 0 181.182 1.080 10 0 ADAERN CCCC(=O)N1C[C@H](O)CCC1(C)C 259125260 573607390 /nfs/dbraw/zinc/60/73/90/573607390.db2.gz LLNAGGBQPFZTDM-SECBINFHSA-N 0 0 199.294 1.548 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)OC(C)(C)C 86758911 573607418 /nfs/dbraw/zinc/60/74/18/573607418.db2.gz XUZGIQROJRBPTQ-YUMQZZPRSA-N 0 0 186.251 1.753 10 0 ADAERN CC[C@@H](C[C@@H](C)C(=O)[O-])[NH2+]C 259526702 573607421 /nfs/dbraw/zinc/60/74/21/573607421.db2.gz UKUIHALOKUBIHT-RQJHMYQMSA-N 0 0 159.229 1.095 10 0 ADAERN Cc1ccc(C(F)F)c(C(N)=O)n1 238447491 573607442 /nfs/dbraw/zinc/60/74/42/573607442.db2.gz GSAGVZGWIGRJSP-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN CCc1ccc(N)cc1COC 75546803 573607460 /nfs/dbraw/zinc/60/74/60/573607460.db2.gz HDKABRMGMLNJMO-UHFFFAOYSA-N 0 0 165.236 1.978 10 0 ADAERN Cc1ccc(C[C@@H](O)CCO)cc1 238476937 573607481 /nfs/dbraw/zinc/60/74/81/573607481.db2.gz IZRDHLRORXHFIC-NSHDSACASA-N 0 0 180.247 1.281 10 0 ADAERN O=C1NOC[C@@H](c2ccccc2O)O1 257837349 573607495 /nfs/dbraw/zinc/60/74/95/573607495.db2.gz LAEGJXVVORMASX-QMMMGPOBSA-N 0 0 195.174 1.105 10 0 ADAERN Cn1ccnc1C[C@H]1CCC[C@@H](O)C1 86754486 573607507 /nfs/dbraw/zinc/60/75/07/573607507.db2.gz LNIRGUDCLINWOQ-VHSXEESVSA-N 0 0 194.278 1.514 10 0 ADAERN O=Cc1ccc2c(O)cccn12 75544850 573610439 /nfs/dbraw/zinc/61/04/39/573610439.db2.gz WHOVUXOHWZLCKF-UHFFFAOYSA-N 0 0 161.160 1.457 10 0 ADAERN COc1cc(CC2(O)CC2)ccc1F 258067481 573609797 /nfs/dbraw/zinc/60/97/97/573609797.db2.gz LZVOMTNFRMPWDM-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN CC(=O)C1(C2CCC2)COC1 259129451 573609803 /nfs/dbraw/zinc/60/98/03/573609803.db2.gz HBQKFLMEQJYSLR-UHFFFAOYSA-N 0 0 154.209 1.392 10 0 ADAERN C[C@@H]1OCC[C@H]1[C@H](O)C1=CCCC1 86760308 573609827 /nfs/dbraw/zinc/60/98/27/573609827.db2.gz PPJYIVIQHPAXRE-JMJZKYOTSA-N 0 0 182.263 1.883 10 0 ADAERN C[C@H](O)c1nc([C@@H]2CCCOC2)no1 83722751 573609829 /nfs/dbraw/zinc/60/98/29/573609829.db2.gz UJKRYBGLGLVZBA-NKWVEPMBSA-N 0 0 198.222 1.017 10 0 ADAERN CC(C)SC1=NC(=O)CS1 142728501 573609833 /nfs/dbraw/zinc/60/98/33/573609833.db2.gz HDLBGOAIDMEFJW-UHFFFAOYSA-N 0 0 175.278 1.757 10 0 ADAERN CC(C)c1nnc([C@@H]2CCO[C@H]2C)[nH]1 86758530 573609835 /nfs/dbraw/zinc/60/98/35/573609835.db2.gz HIDJOWFVRUHZNO-JGVFFNPUSA-N 0 0 195.266 1.821 10 0 ADAERN O=C([C@H]1CCCOC1)[C@H]1CCOC1 83720382 573609847 /nfs/dbraw/zinc/60/98/47/573609847.db2.gz LXXDRNJPVULDRH-IUCAKERBSA-N 0 0 184.235 1.019 10 0 ADAERN c1coc([C@H]2COCCO2)c1 142770012 573609866 /nfs/dbraw/zinc/60/98/66/573609866.db2.gz NKNZHELEFYDMTE-MRVPVSSYSA-N 0 0 154.165 1.368 10 0 ADAERN COc1c(F)ccc(C)c1CNO 258067496 573609895 /nfs/dbraw/zinc/60/98/95/573609895.db2.gz MAEODUZEBLUXQC-UHFFFAOYSA-N 0 0 185.198 1.622 10 0 ADAERN Cc1[nH]c2ccc(F)cc2c1C(N)=O 83728694 573609896 /nfs/dbraw/zinc/60/98/96/573609896.db2.gz QQFYEYHYUUSMLA-UHFFFAOYSA-N 0 0 192.193 1.714 10 0 ADAERN Cn1ccnc1C[C@@H]1CCCC(=O)C1 86753669 573609918 /nfs/dbraw/zinc/60/99/18/573609918.db2.gz RGWSLNBMKDVDKW-SECBINFHSA-N 0 0 192.262 1.722 10 0 ADAERN COC[C@H](OC)c1ccc(C=O)cc1 258068651 573609919 /nfs/dbraw/zinc/60/99/19/573609919.db2.gz UDCINSOPZFIJRH-NSHDSACASA-N 0 0 194.230 1.833 10 0 ADAERN Cn1nccc1C(=O)[C@H]1CCCOC1 83720688 573609924 /nfs/dbraw/zinc/60/99/24/573609924.db2.gz YVMHVMFUDMFPRV-QMMMGPOBSA-N 0 0 194.234 1.029 10 0 ADAERN CCc1nn2cc(C)cnc2c1N 259528298 573609927 /nfs/dbraw/zinc/60/99/27/573609927.db2.gz AXXFCRQKHGVNFA-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN C[C@H](O)c1ccc([C@H](C)CO)cc1 258068874 573609930 /nfs/dbraw/zinc/60/99/30/573609930.db2.gz UIFPINQHUHTFEI-BDAKNGLRSA-N 0 0 180.247 1.836 10 0 ADAERN CC[C@@]1(C(=O)OC)CCCCN1 142721524 573609973 /nfs/dbraw/zinc/60/99/73/573609973.db2.gz BDAPWOWLAJBINL-VIFPVBQESA-N 0 0 171.240 1.082 10 0 ADAERN Cc1ccc(O)c(/C=C/CO)c1 75546118 573609980 /nfs/dbraw/zinc/60/99/80/573609980.db2.gz QJNIBMWYWVESNS-NSCUHMNNSA-N 0 0 164.204 1.706 10 0 ADAERN CNc1nc([C@@H]2CCOC2)ns1 83718925 573609981 /nfs/dbraw/zinc/60/99/81/573609981.db2.gz NGXAPXRJVYYPKP-RXMQYKEDSA-N 0 0 185.252 1.084 10 0 ADAERN CCc1cc(C=O)cc(C=O)c1 75545331 573609989 /nfs/dbraw/zinc/60/99/89/573609989.db2.gz LNHAIXPLVNAAFN-UHFFFAOYSA-N 0 0 162.188 1.874 10 0 ADAERN Cn1ccnc1C[C@H]1CCCCC1=O 86753263 573609990 /nfs/dbraw/zinc/60/99/90/573609990.db2.gz RYLFYOVTMVXEOV-SECBINFHSA-N 0 0 192.262 1.722 10 0 ADAERN C[N@H+](C[C@@H]1C[C@@H]1C(=O)[O-])C(C)(C)C 258823257 573609991 /nfs/dbraw/zinc/60/99/91/573609991.db2.gz GKGLQKCASADLJW-YUMQZZPRSA-N 0 0 185.267 1.437 10 0 ADAERN CN(C)c1cc(C=O)c(N)s1 75548307 573609992 /nfs/dbraw/zinc/60/99/92/573609992.db2.gz ALFYDJZDSZJMTH-UHFFFAOYSA-N 0 0 170.237 1.209 10 0 ADAERN CCc1c(F)cc(CON)cc1OC 258067989 573609998 /nfs/dbraw/zinc/60/99/98/573609998.db2.gz HWCFQKKWAAOWJL-UHFFFAOYSA-N 0 0 199.225 1.787 10 0 ADAERN Cc1nnc([C@H]2CCO[C@@H]2C)[nH]1 86758514 573610009 /nfs/dbraw/zinc/61/00/09/573610009.db2.gz LJSYWIQEDIKAQL-VDTYLAMSSA-N 0 0 167.212 1.006 10 0 ADAERN C[C@H]1CC(=O)C[C@@H](C(C)(C)O)C1 238447344 573610024 /nfs/dbraw/zinc/61/00/24/573610024.db2.gz CWNMNBKESCXVGC-SFYZADRCSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1cccc2c1cc1n2C[C@@H](O)C1 259528341 573610025 /nfs/dbraw/zinc/61/00/25/573610025.db2.gz AYANEIVDTBMRHN-JTQLQIEISA-N 0 0 187.242 1.867 10 0 ADAERN C[C@@H]1CCCCCC(=O)[C@H](O)C1 238448564 573610040 /nfs/dbraw/zinc/61/00/40/573610040.db2.gz SEWPSFATFOFEAK-PSASIEDQSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@@H]1OCC[C@@H]1C(=O)c1ccco1 86756647 573610057 /nfs/dbraw/zinc/61/00/57/573610057.db2.gz BQVIJBKQVPVHNE-YUMQZZPRSA-N 0 0 180.203 1.887 10 0 ADAERN CCn1cc(N[C@H](C)C(C)(C)O)cn1 83726217 573610059 /nfs/dbraw/zinc/61/00/59/573610059.db2.gz WWLDNYYZFQBCSF-MRVPVSSYSA-N 0 0 197.282 1.474 10 0 ADAERN CC(C)/C(=C/c1cncn1C)CO 211944240 573610061 /nfs/dbraw/zinc/61/00/61/573610061.db2.gz VRSZGHDMUAUINF-RUDMXATFSA-N 0 0 180.251 1.452 10 0 ADAERN O=Cc1cn(Cc2nccs2)cn1 236419734 573610073 /nfs/dbraw/zinc/61/00/73/573610073.db2.gz MLIVTUWMCZBWAQ-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN C[C@H]1OCC[C@H]1c1nnc(C2CC2)[nH]1 86758544 573610074 /nfs/dbraw/zinc/61/00/74/573610074.db2.gz BINCQXNVCCQKOU-HTRCEHHLSA-N 0 0 193.250 1.575 10 0 ADAERN O=C(c1ccoc1)[C@H]1CCCOC1 83720389 573610078 /nfs/dbraw/zinc/61/00/78/573610078.db2.gz USWRTJZKYHPBQY-QMMMGPOBSA-N 0 0 180.203 1.889 10 0 ADAERN COCNc1ccc2ncoc2c1 259128999 573610093 /nfs/dbraw/zinc/61/00/93/573610093.db2.gz QMTQDJVMFJVIGB-UHFFFAOYSA-N 0 0 178.191 1.844 10 0 ADAERN C[C@H]1C(=O)CC[C@H]1Cc1nccn1C 86753780 573610103 /nfs/dbraw/zinc/61/01/03/573610103.db2.gz WFKGRTKDEHFJBH-BDAKNGLRSA-N 0 0 192.262 1.578 10 0 ADAERN Fc1ncccc1[C@H]1CCOC1 142737962 573610112 /nfs/dbraw/zinc/61/01/12/573610112.db2.gz PJBLIRKSJUSNHZ-ZETCQYMHSA-N 0 0 167.183 1.725 10 0 ADAERN CC[C@H](CC(=O)[O-])[C@H]1CC[NH2+]C1 82400525 573610117 /nfs/dbraw/zinc/61/01/17/573610117.db2.gz FFQKJVOQRXFXER-SFYZADRCSA-N 0 0 171.240 1.097 10 0 ADAERN C[C@H]1OCC[C@@H]1c1nnc(N)s1 86758313 573610130 /nfs/dbraw/zinc/61/01/30/573610130.db2.gz XFFUZWLODIBULO-UHNVWZDZSA-N 0 0 185.252 1.013 10 0 ADAERN O=Cc1ccc(-c2ccc[nH]2)[nH]1 75544456 573610140 /nfs/dbraw/zinc/61/01/40/573610140.db2.gz PHIQNHXVGUSEEF-UHFFFAOYSA-N 0 0 160.176 1.822 10 0 ADAERN C[C@H](O)c1ccc2c(c1)OCOC2 258068885 573610154 /nfs/dbraw/zinc/61/01/54/573610154.db2.gz UILGNCAEHXEXDX-ZETCQYMHSA-N 0 0 180.203 1.606 10 0 ADAERN Cc1cccc2c1OC[C@@H](O)CO2 238447920 573610161 /nfs/dbraw/zinc/61/01/61/573610161.db2.gz ZJWBGTAZRFRVCR-QMMMGPOBSA-N 0 0 180.203 1.127 10 0 ADAERN Clc1n[nH]c([C@H]2CCCOC2)n1 83722846 573610164 /nfs/dbraw/zinc/61/01/64/573610164.db2.gz 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C[C@@H]1CCn2c(cnc2CCO)C1 258067540 573611396 /nfs/dbraw/zinc/61/13/96/573611396.db2.gz DKKQREHZHOEZJM-MRVPVSSYSA-N 0 0 180.251 1.000 10 0 ADAERN C[C@H]1OCC[C@H]1c1cnc(CN)o1 86762293 573611404 /nfs/dbraw/zinc/61/14/04/573611404.db2.gz VZGPLMFYCRPRAY-RNFRBKRXSA-N 0 0 182.223 1.026 10 0 ADAERN CCO[C@H]1CCC(=O)C1 78762759 573611449 /nfs/dbraw/zinc/61/14/49/573611449.db2.gz UAFTUQCCPRMUPP-ZETCQYMHSA-N 0 0 128.171 1.145 10 0 ADAERN CC1(C)[C@H](CO)CCC[C@]1(C)O 142703733 573611476 /nfs/dbraw/zinc/61/14/76/573611476.db2.gz JOHQZCCLPQQNAY-WPRPVWTQSA-N 0 0 172.268 1.556 10 0 ADAERN O=Cc1cn(Cc2cncs2)cn1 236419695 573611485 /nfs/dbraw/zinc/61/14/85/573611485.db2.gz ZMNGROOUPUKZLW-UHFFFAOYSA-N 0 0 193.231 1.200 10 0 ADAERN CCOC(=O)C[C@@H](C)NCC(F)F 147565451 573611492 /nfs/dbraw/zinc/61/14/92/573611492.db2.gz IYGJVHAYPOQOBY-ZCFIWIBFSA-N 0 0 195.209 1.183 10 0 ADAERN CC(C)(O)c1ccc(O)c(F)c1F 258067512 573611497 /nfs/dbraw/zinc/61/14/97/573611497.db2.gz MANKRALHHKFIOM-UHFFFAOYSA-N 0 0 188.173 1.898 10 0 ADAERN OCc1ccc(F)c(C2(O)CC2)c1 258067334 573611503 /nfs/dbraw/zinc/61/15/03/573611503.db2.gz LWFJVFHWYSMXKQ-UHFFFAOYSA-N 0 0 182.194 1.299 10 0 ADAERN COc1c(CON)ccc(C)c1O 258067477 573611513 /nfs/dbraw/zinc/61/15/13/573611513.db2.gz LZMJBDKCQMPGSE-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN C[N@H+](C[C@H]1C[C@@H]1C(=O)[O-])C(C)(C)C 258823256 573611532 /nfs/dbraw/zinc/61/15/32/573611532.db2.gz GKGLQKCASADLJW-SFYZADRCSA-N 0 0 185.267 1.437 10 0 ADAERN COc1ccccc1[C@@H](F)CON 259528334 573611537 /nfs/dbraw/zinc/61/15/37/573611537.db2.gz AYACBMMUZHGNIL-QMMMGPOBSA-N 0 0 185.198 1.596 10 0 ADAERN C[C@H]1OCC[C@@H]1c1nc(N)ns1 86762245 573611611 /nfs/dbraw/zinc/61/16/11/573611611.db2.gz QQUGJAOWCLCEHV-UHNVWZDZSA-N 0 0 185.252 1.013 10 0 ADAERN CCCNC(=O)OCc1ccco1 308410135 573611639 /nfs/dbraw/zinc/61/16/39/573611639.db2.gz LEHCHDGPYPVRAD-UHFFFAOYSA-N 0 0 183.207 1.916 10 0 ADAERN Cn1ccc(N[C@H]2CCCC[C@H]2O)n1 86780372 573611648 /nfs/dbraw/zinc/61/16/48/573611648.db2.gz BYRMKJNYKHZFQR-DTWKUNHWSA-N 0 0 195.266 1.136 10 0 ADAERN CCC[C@@H]1C[C@]1(O)[C@@H]1CCO[C@@H]1C 86761454 573611655 /nfs/dbraw/zinc/61/16/55/573611655.db2.gz ILUXOPUTTIHSGH-GWOFURMSSA-N 0 0 184.279 1.963 10 0 ADAERN C[C@H]1C[C@@H](C)C[C@@]2(NCCS2)C1=O 238449237 573611656 /nfs/dbraw/zinc/61/16/56/573611656.db2.gz OMVVZMWPPWNIHA-WEDXCCLWSA-N 0 0 199.319 1.654 10 0 ADAERN C[C@H](O)CNc1ccccc1O 75555150 573611661 /nfs/dbraw/zinc/61/16/61/573611661.db2.gz JMJMJSAHHXWJOR-ZETCQYMHSA-N 0 0 167.208 1.185 10 0 ADAERN CCSCc1c[nH]c(=NN)s1 86776153 573611665 /nfs/dbraw/zinc/61/16/65/573611665.db2.gz IRYZFBMJFBUFPM-UHFFFAOYSA-N 0 0 189.309 1.682 10 0 ADAERN CC/C=C/C(=O)N1CC(C)(OC)C1 308406696 573611688 /nfs/dbraw/zinc/61/16/88/573611688.db2.gz JYBYYXNIZGIUAV-AATRIKPKSA-N 0 0 183.251 1.200 10 0 ADAERN C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1nnn[n-]1 686247328 573611690 /nfs/dbraw/zinc/61/16/90/573611690.db2.gz XLOJQTDHQUEEHL-RNFRBKRXSA-N 0 0 197.286 1.285 10 0 ADAERN CC(C)[C@]1(O)CC[C@H](C)C(=O)C1 142767553 573611713 /nfs/dbraw/zinc/61/17/13/573611713.db2.gz ORHWGDBAGAMSHU-WPRPVWTQSA-N 0 0 170.252 1.763 10 0 ADAERN C[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2ccccc21 142812298 573622938 /nfs/dbraw/zinc/62/29/38/573622938.db2.gz HLZSLBLFYBLKTL-OIBJUYFYSA-N 0 0 191.230 1.347 10 0 ADAERN C[C@H]1CC[C@]1(Cl)CO 238452596 573622939 /nfs/dbraw/zinc/62/29/39/573622939.db2.gz LNZFGWWONUCYPK-WDSKDSINSA-N 0 0 134.606 1.386 10 0 ADAERN COc1cc(C=O)c2c(cnn2C)c1 259532078 573622941 /nfs/dbraw/zinc/62/29/41/573622941.db2.gz RNZIXPLLALCPNT-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN CC(=O)c1ccc(CC2(O)CC2)cc1 259532006 573622948 /nfs/dbraw/zinc/62/29/48/573622948.db2.gz UFUQKMQOBIQJGH-UHFFFAOYSA-N 0 0 190.242 1.957 10 0 ADAERN C[C@H](O)Cc1ccc2c(c1)NCCC2 257834180 573622961 /nfs/dbraw/zinc/62/29/61/573622961.db2.gz KITUITKQHIEMAO-VIFPVBQESA-N 0 0 191.274 1.968 10 0 ADAERN O=C1CC[C@@H]2[C@H]1[C@@H]2C1CC1 142798102 573622962 /nfs/dbraw/zinc/62/29/62/573622962.db2.gz DECIAIWYABPUFA-NBEYISGCSA-N 0 0 136.194 1.622 10 0 ADAERN C[NH2+][C@H](/C=C/C(=O)[O-])c1ccc(C)o1 259531299 573622979 /nfs/dbraw/zinc/62/29/79/573622979.db2.gz URBPHIAJTDAIRY-YZCDNWJKSA-N 0 0 195.218 1.489 10 0 ADAERN CCc1nc(C=O)[nH]c1CC 142842082 573622996 /nfs/dbraw/zinc/62/29/96/573622996.db2.gz FCZXIQDOJDHMMT-UHFFFAOYSA-N 0 0 152.197 1.347 10 0 ADAERN O=Cc1nccc(-c2ccncc2)n1 107460957 573622997 /nfs/dbraw/zinc/62/29/97/573622997.db2.gz FIHMOHYKJIRSGH-UHFFFAOYSA-N 0 0 185.186 1.351 10 0 ADAERN CC(C)[C@H](O)[C@H](O)c1ccc(F)cc1 142790752 573623008 /nfs/dbraw/zinc/62/30/08/573623008.db2.gz JYLFUNWZTRJWOH-WDEREUQCSA-N 0 0 198.237 1.876 10 0 ADAERN COC(=O)CCN(C)c1cccs1 258823427 573622302 /nfs/dbraw/zinc/62/23/02/573622302.db2.gz AOMYKBUBLDQJQX-UHFFFAOYSA-N 0 0 199.275 1.747 10 0 ADAERN COc1nc2cccnn2c1C 82404673 573622308 /nfs/dbraw/zinc/62/23/08/573622308.db2.gz KWTYNKKSLUNJPE-UHFFFAOYSA-N 0 0 163.180 1.046 10 0 ADAERN C[C@@H]1CNC(=O)C2(CCCC2)C1 238451639 573622310 /nfs/dbraw/zinc/62/23/10/573622310.db2.gz NIKDACVGZYWAIC-QMMMGPOBSA-N 0 0 167.252 1.703 10 0 ADAERN C[C@H](NN)[C@H](C)Nc1ccccc1 75569615 573622341 /nfs/dbraw/zinc/62/23/41/573622341.db2.gz FSYFXMFUHRXUAG-IUCAKERBSA-N 0 0 179.267 1.339 10 0 ADAERN Nc1cc([C@@H]2CCCCO2)c[nH]c1=O 259530250 573622344 /nfs/dbraw/zinc/62/23/44/573622344.db2.gz BAJNLIPCJWXKLP-VIFPVBQESA-N 0 0 194.234 1.611 10 0 ADAERN CC[C@@H](O)[C@H](O)c1ccc(F)cc1 142817398 573622346 /nfs/dbraw/zinc/62/23/46/573622346.db2.gz ZFTZLVDPGQTBIY-NXEZZACHSA-N 0 0 184.210 1.630 10 0 ADAERN C[C@@H]1c2ccc(F)cc2N[C@@H]1CO 107459764 573622356 /nfs/dbraw/zinc/62/23/56/573622356.db2.gz SLYWEZDUTBYBCA-LHLIQPBNSA-N 0 0 181.210 1.716 10 0 ADAERN C[C@@H]1c2ccccc2O[C@]1(C)CO 238451903 573622357 /nfs/dbraw/zinc/62/23/57/573622357.db2.gz LGRJDYHIHYWJOY-LDYMZIIASA-N 0 0 178.231 1.934 10 0 ADAERN COC(=O)[C@@H](F)[C@H]1CCCSC1 257834167 573622360 /nfs/dbraw/zinc/62/23/60/573622360.db2.gz KILQZQIBKBHDNW-BQBZGAKWSA-N 0 0 192.255 1.641 10 0 ADAERN COC1(c2cccs2)COC1 258823581 573622362 /nfs/dbraw/zinc/62/23/62/573622362.db2.gz YWBDXARZMVOWKJ-UHFFFAOYSA-N 0 0 170.233 1.620 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+]CC[C@H]1C1CCC1 107460335 573622363 /nfs/dbraw/zinc/62/23/63/573622363.db2.gz JWMAFZMMDLIJDY-DTWKUNHWSA-N 0 0 183.251 1.097 10 0 ADAERN COc1cc(=O)c2cc(F)ccc2[nH]1 238452482 573622366 /nfs/dbraw/zinc/62/23/66/573622366.db2.gz BHPHHFQSKLPOTP-UHFFFAOYSA-N 0 0 193.177 1.676 10 0 ADAERN CC(=O)Oc1cc(C)cc(O)c1C 142855374 573622368 /nfs/dbraw/zinc/62/23/68/573622368.db2.gz NKACSOCXBRPUTO-UHFFFAOYSA-N 0 0 180.203 1.934 10 0 ADAERN CCNc1nc(C)c(O)c(C)n1 198396619 573622369 /nfs/dbraw/zinc/62/23/69/573622369.db2.gz HAFGRIGZIKPWQB-UHFFFAOYSA-N 0 0 167.212 1.231 10 0 ADAERN C[C@@H]1CNC(=O)c2ccccc2C1=O 238451884 573622372 /nfs/dbraw/zinc/62/23/72/573622372.db2.gz LZQLKRRGLQOMJT-SSDOTTSWSA-N 0 0 189.214 1.249 10 0 ADAERN CC(C)[C@H](O)[C@@H](O)c1cccc(F)c1 142858558 573622408 /nfs/dbraw/zinc/62/24/08/573622408.db2.gz RYWDNYZQWHKFKI-QWRGUYRKSA-N 0 0 198.237 1.876 10 0 ADAERN CNC(NC)c1ccc(F)cc1F 259533146 573622420 /nfs/dbraw/zinc/62/24/20/573622420.db2.gz USZKHEVCKRABII-UHFFFAOYSA-N 0 0 186.205 1.402 10 0 ADAERN C[C@@H](F)[C@]1(CC(=O)[O-])CCC[NH2+]C1 259530257 573622444 /nfs/dbraw/zinc/62/24/44/573622444.db2.gz BAUSEVOIDBPADB-APPZFPTMSA-N 0 0 189.230 1.189 10 0 ADAERN CC[C@@H](C)NC(=O)NC(=N)SC 142890834 573622449 /nfs/dbraw/zinc/62/24/49/573622449.db2.gz SUQAIIBKWZMIRY-RXMQYKEDSA-N 0 0 189.284 1.382 10 0 ADAERN Cc1cccc2c(=O)cc(N)oc12 238451754 573622483 /nfs/dbraw/zinc/62/24/83/573622483.db2.gz QVMYMSGYJYGFGY-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN OC[C@@H]1Cc2cccc(Cl)c2N1 107460661 573622515 /nfs/dbraw/zinc/62/25/15/573622515.db2.gz HAUPVJMAHUMCLX-ZETCQYMHSA-N 0 0 183.638 1.669 10 0 ADAERN CCOC(=O)[C@@H](CC)OC(=O)CC 308408136 573622523 /nfs/dbraw/zinc/62/25/23/573622523.db2.gz KSAGLJOSXZUCRX-SSDOTTSWSA-N 0 0 188.223 1.281 10 0 ADAERN COc1c2c(cc3cc[nH]c13)OCO2 238451744 573622537 /nfs/dbraw/zinc/62/25/37/573622537.db2.gz YOFUREJTCSPLDJ-UHFFFAOYSA-N 0 0 191.186 1.905 10 0 ADAERN COC(=O)[C@@H](F)[C@@H]1CCCSC1 257834172 573622540 /nfs/dbraw/zinc/62/25/40/573622540.db2.gz KILQZQIBKBHDNW-RQJHMYQMSA-N 0 0 192.255 1.641 10 0 ADAERN O=Cc1ncc(-c2ccccc2)cn1 107460706 573622572 /nfs/dbraw/zinc/62/25/72/573622572.db2.gz PSBCJDSTLVDCGN-UHFFFAOYSA-N 0 0 184.198 1.956 10 0 ADAERN Cc1cc(N)ccc1[C@@H]1CCC(=O)N1 238452892 573622573 /nfs/dbraw/zinc/62/25/73/573622573.db2.gz PLBQXHYZISEVDD-JTQLQIEISA-N 0 0 190.246 1.528 10 0 ADAERN Nc1cccc([C@@]2(O)CCSC2)c1 257834190 573622577 /nfs/dbraw/zinc/62/25/77/573622577.db2.gz KJCYYROCDNHFGB-SNVBAGLBSA-N 0 0 195.287 1.593 10 0 ADAERN O=Cc1cnc(-c2cnco2)o1 82404437 573622598 /nfs/dbraw/zinc/62/25/98/573622598.db2.gz WYSDZYPFMZLTLH-UHFFFAOYSA-N 0 0 164.120 1.142 10 0 ADAERN COc1ccc([C@H]2CCCO2)nn1 259532181 573622610 /nfs/dbraw/zinc/62/26/10/573622610.db2.gz UIJCZORWCNJTSL-MRVPVSSYSA-N 0 0 180.207 1.337 10 0 ADAERN NOCCc1ccc2occc2c1 258070496 573622633 /nfs/dbraw/zinc/62/26/33/573622633.db2.gz UMFMHQLEVUPGNL-UHFFFAOYSA-N 0 0 177.203 1.866 10 0 ADAERN OC[C@@H]1Cc2ccc(Cl)cc2N1 107460657 573622641 /nfs/dbraw/zinc/62/26/41/573622641.db2.gz ADDZRVCKVFWSOB-QMMMGPOBSA-N 0 0 183.638 1.669 10 0 ADAERN C[C@H]1CCCC(=O)[C@@H]1F 142790386 573622686 /nfs/dbraw/zinc/62/26/86/573622686.db2.gz OJBSCEUKFGPQDH-CAHLUQPWSA-N 0 0 130.162 1.714 10 0 ADAERN CC[C@@H](C(=O)OC)c1ncccn1 259131913 573622693 /nfs/dbraw/zinc/62/26/93/573622693.db2.gz HXCYGIBVPITRPO-SSDOTTSWSA-N 0 0 180.207 1.143 10 0 ADAERN C[C@@H]1CCCC(=O)[C@H]1F 142790591 573622699 /nfs/dbraw/zinc/62/26/99/573622699.db2.gz OJBSCEUKFGPQDH-VDTYLAMSSA-N 0 0 130.162 1.714 10 0 ADAERN C[C@@H](O)[C@@H](O)c1cccc(F)c1 142873612 573622704 /nfs/dbraw/zinc/62/27/04/573622704.db2.gz DNJDWQHYTHRVAX-HZGVNTEJSA-N 0 0 170.183 1.240 10 0 ADAERN OC[C@@H]1Cc2cc(Cl)ccc2N1 107460655 573622707 /nfs/dbraw/zinc/62/27/07/573622707.db2.gz PEMJMUKQGJWPHC-QMMMGPOBSA-N 0 0 183.638 1.669 10 0 ADAERN C[C@H](O)Cc1nsc(NC2CC2)n1 238452840 573622734 /nfs/dbraw/zinc/62/27/34/573622734.db2.gz IJHOPDGVSVKXLR-YFKPBYRVSA-N 0 0 199.279 1.036 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](C2CC2)[C@H](C(=O)[O-])C1 107460449 573622735 /nfs/dbraw/zinc/62/27/35/573622735.db2.gz OVWWWSUYTFWYDC-ZQARSLAVSA-N 0 0 183.251 1.095 10 0 ADAERN C[C@H]1CC[C@](O)(C(N)=O)CC(C)(C)C1 238452387 573622739 /nfs/dbraw/zinc/62/27/39/573622739.db2.gz FMGRQMNERXYCDD-GZMMTYOYSA-N 0 0 199.294 1.439 10 0 ADAERN COc1cccc2c1C[C@](C)(O)CN2 257837939 573622748 /nfs/dbraw/zinc/62/27/48/573622748.db2.gz LEKQXNRFNRDOPF-NSHDSACASA-N 0 0 193.246 1.414 10 0 ADAERN O=C1CCC[C@]23CCC[C@]12O3 142795636 573622750 /nfs/dbraw/zinc/62/27/50/573622750.db2.gz OCIDHNZXYZUMGN-IUCAKERBSA-N 0 0 152.193 1.431 10 0 ADAERN COC[C@H]1COc2ccc(O)cc2C1 257837911 573622756 /nfs/dbraw/zinc/62/27/56/573622756.db2.gz LDAMKNVGRKPVOP-QMMMGPOBSA-N 0 0 194.230 1.590 10 0 ADAERN Cc1cccc([C@H](C)O)c1C[C@H](C)O 238451626 573622765 /nfs/dbraw/zinc/62/27/65/573622765.db2.gz ZYNZASOKKUSELW-UWVGGRQHSA-N 0 0 194.274 1.972 10 0 ADAERN COCCc1nc2cc(C)cnc2[nH]1 86796120 573622789 /nfs/dbraw/zinc/62/27/89/573622789.db2.gz UZZFAGSQVVALQU-UHFFFAOYSA-N 0 0 191.234 1.455 10 0 ADAERN C[C@@H]1CNC(c2ccccc2)=NC1=O 238452252 573622797 /nfs/dbraw/zinc/62/27/97/573622797.db2.gz VUYDYLAYPVSCMF-MRVPVSSYSA-N 0 0 188.230 1.199 10 0 ADAERN Cc1cnc2[nH]c(CN(C)C)nc2c1 86796068 573622832 /nfs/dbraw/zinc/62/28/32/573622832.db2.gz JKHSDIDTVNILTQ-UHFFFAOYSA-N 0 0 190.250 1.328 10 0 ADAERN CCO[C@H](C)C(=O)O[C@H](C)C(F)F 308408706 573622834 /nfs/dbraw/zinc/62/28/34/573622834.db2.gz KTWRMHQVSZHADS-PHDIDXHHSA-N 0 0 196.193 1.608 10 0 ADAERN O=C([O-])[C@@H]1CC[NH2+][C@H](C2CCC2)C1 107460491 573622836 /nfs/dbraw/zinc/62/28/36/573622836.db2.gz FUSVJJVCOARQHJ-BDAKNGLRSA-N 0 0 183.251 1.239 10 0 ADAERN CCO[P@]1(=O)C[C@H](O)C=C1C 148148586 573622855 /nfs/dbraw/zinc/62/28/55/573622855.db2.gz SNFSPYDOWQHFQA-RDDDGLTNSA-N 0 0 176.152 1.579 10 0 ADAERN C[C@H]1COc2cccc(O)c2OC1 238451449 573622862 /nfs/dbraw/zinc/62/28/62/573622862.db2.gz UFWMVVWYYBKJKH-ZETCQYMHSA-N 0 0 180.203 1.800 10 0 ADAERN COC(=O)C[C@@H](C)[C@H]1CCOC1 259615911 573622878 /nfs/dbraw/zinc/62/28/78/573622878.db2.gz FHPJSOVQLXBJNT-SFYZADRCSA-N 0 0 172.224 1.222 10 0 ADAERN C[C@H]1COc2ccccc2N1C(N)=O 238451504 573622884 /nfs/dbraw/zinc/62/28/84/573622884.db2.gz GTAPIHOCKPCWGO-ZETCQYMHSA-N 0 0 192.218 1.353 10 0 ADAERN CC(C)(C)[C@]1(C)CCOC(=O)N1 257834128 573622900 /nfs/dbraw/zinc/62/29/00/573622900.db2.gz KNLVAIGHCXHLQC-VIFPVBQESA-N 0 0 171.240 1.921 10 0 ADAERN CC(C)c1cnc2nc(N)cn2c1 257834235 573628865 /nfs/dbraw/zinc/62/88/65/573628865.db2.gz KQPRERXQJXXLNL-UHFFFAOYSA-N 0 0 176.223 1.435 10 0 ADAERN C[C@H](O)Cn1nccc1C(C)(C)C 238453205 573628874 /nfs/dbraw/zinc/62/88/74/573628874.db2.gz MMNHDQVNADVBMN-QMMMGPOBSA-N 0 0 182.267 1.561 10 0 ADAERN CC1(C)C(=O)CCCN1C1CC1 259534847 573628875 /nfs/dbraw/zinc/62/88/75/573628875.db2.gz WGQNWNXCZPBXQF-UHFFFAOYSA-N 0 0 167.252 1.592 10 0 ADAERN NN1CCCc2ccc3c(c21)CCC3 75578795 573628884 /nfs/dbraw/zinc/62/88/84/573628884.db2.gz YDFGWCASQNSSAV-UHFFFAOYSA-N 0 0 188.274 1.802 10 0 ADAERN CC(C)(O)c1cccc2[nH]cnc12 258072647 573628894 /nfs/dbraw/zinc/62/88/94/573628894.db2.gz UTPOIFBDSZMQGB-UHFFFAOYSA-N 0 0 176.219 1.790 10 0 ADAERN CCc1c(C=O)[nH]c(C(=O)OC)c1C 238289081 573629596 /nfs/dbraw/zinc/62/95/96/573629596.db2.gz PYQNZSKSTQMPFH-UHFFFAOYSA-N 0 0 195.218 1.485 10 0 ADAERN C[C@@H]1CC[C@@H](c2nccc(=O)[nH]2)C1 83782766 573628931 /nfs/dbraw/zinc/62/89/31/573628931.db2.gz JCZAFFHLELEAKM-HTQZYQBOSA-N 0 0 178.235 1.674 10 0 ADAERN C[C@@H]1[C@H](C(=O)[O-])CC[C@@H]2CCCC[N@@H+]21 238454152 573628943 /nfs/dbraw/zinc/62/89/43/573628943.db2.gz CNTSQOOOPBIZTK-KXUCPTDWSA-N 0 0 197.278 1.724 10 0 ADAERN C[C@H]1CC[C@@H](c2noc(CN)n2)C1 83781285 573628957 /nfs/dbraw/zinc/62/89/57/573628957.db2.gz FDMCJAHWVBDPJO-NKWVEPMBSA-N 0 0 181.239 1.432 10 0 ADAERN C[C@@]12C[C@@H](C1=O)[C@@]1(C)C(=O)C[C@@H]21 238452963 573628958 /nfs/dbraw/zinc/62/89/58/573628958.db2.gz PRRQOHFFDXURBQ-AJSHEINVSA-N 0 0 164.204 1.191 10 0 ADAERN Cc1nc(SC(F)F)n[nH]1 96550064 573628968 /nfs/dbraw/zinc/62/89/68/573628968.db2.gz KIKGIOWTKSSQIT-UHFFFAOYSA-N 0 0 165.168 1.428 10 0 ADAERN C[C@]1(Br)CCC[C@H]1O 238453199 573628979 /nfs/dbraw/zinc/62/89/79/573628979.db2.gz BBUXUOKBNZFAFV-RITPCOANSA-N 0 0 179.057 1.685 10 0 ADAERN CCOC(=O)c1nnsc1C1CC1 259615959 573628985 /nfs/dbraw/zinc/62/89/85/573628985.db2.gz FHTQMIKJPSUDLU-UHFFFAOYSA-N 0 0 198.247 1.592 10 0 ADAERN C[C@@H]1CC[C@H](c2noc(CN)n2)C1 83781279 573629006 /nfs/dbraw/zinc/62/90/06/573629006.db2.gz FDMCJAHWVBDPJO-RQJHMYQMSA-N 0 0 181.239 1.432 10 0 ADAERN COC(=O)C1([C@H]2CCCOC2)CC1 259532974 573629008 /nfs/dbraw/zinc/62/90/08/573629008.db2.gz AGQXXJQWTJYXRW-QMMMGPOBSA-N 0 0 184.235 1.366 10 0 ADAERN C[Si](C)(C)c1ccccc1C(N)=O 238453644 573629016 /nfs/dbraw/zinc/62/90/16/573629016.db2.gz CVRSFHVDUCIBOF-UHFFFAOYSA-N 0 0 193.322 1.331 10 0 ADAERN C[C@H](O)P1(=O)OCC(C)(C)CO1 238454316 573629032 /nfs/dbraw/zinc/62/90/32/573629032.db2.gz LMQRDBXUYAZDMG-ZCFIWIBFSA-N 0 0 194.167 1.591 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](C(C)(C)C)[C@H](C(=O)[O-])C1 107465788 573629048 /nfs/dbraw/zinc/62/90/48/573629048.db2.gz AMXBHSPXBPVDBD-DJLDLDEBSA-N 0 0 199.294 1.731 10 0 ADAERN C=CO[C@H](C)CC(C)=O 238454281 573629050 /nfs/dbraw/zinc/62/90/50/573629050.db2.gz IGPLHHQXWKTVJR-SSDOTTSWSA-N 0 0 128.171 1.514 10 0 ADAERN C[Si](C)(C)c1cccc(C(N)=O)c1 238453323 573629065 /nfs/dbraw/zinc/62/90/65/573629065.db2.gz UIKLGFJFFRWBIV-UHFFFAOYSA-N 0 0 193.322 1.331 10 0 ADAERN CC[C@@H]1[NH2+]C[C@@H](C(C)C)C[C@H]1C(=O)[O-] 107465803 573629094 /nfs/dbraw/zinc/62/90/94/573629094.db2.gz JKISOTHSHXCDAL-AEJSXWLSSA-N 0 0 199.294 1.731 10 0 ADAERN CCSCCNC(=O)N(C)C 393543913 573629101 /nfs/dbraw/zinc/62/91/01/573629101.db2.gz IKLOHTURMBLIKE-UHFFFAOYSA-N 0 0 176.285 1.011 10 0 ADAERN C[C@H](O)Pc1ccccc1 238454360 573629127 /nfs/dbraw/zinc/62/91/27/573629127.db2.gz HNFWKYCHUHGJFW-SSDOTTSWSA-N 0 0 154.149 1.329 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2CC[C@@H](C)C2)n1 83782615 573629130 /nfs/dbraw/zinc/62/91/30/573629130.db2.gz MWUUTKKNAPIGJT-VXNVDRBHSA-N 0 0 192.262 1.982 10 0 ADAERN OC1(Cc2nccs2)CCOCC1 86826597 573629140 /nfs/dbraw/zinc/62/91/40/573629140.db2.gz LZTSVWGROHSLKJ-UHFFFAOYSA-N 0 0 199.275 1.227 10 0 ADAERN CC(C)[C@H]([C@H]1C[C@@H]1C(=O)[O-])[NH+](C)C 259534167 573629146 /nfs/dbraw/zinc/62/91/46/573629146.db2.gz NKDQJWJQQDNYEL-XHNCKOQMSA-N 0 0 185.267 1.293 10 0 ADAERN C[C@H](O)CSc1ncccc1O 75576937 573629152 /nfs/dbraw/zinc/62/91/52/573629152.db2.gz CBGSMAHBKKQGDJ-LURJTMIESA-N 0 0 185.248 1.260 10 0 ADAERN CC(C)(C)[NH+]1CC([C@@H](F)C(=O)[O-])C1 257834286 573629165 /nfs/dbraw/zinc/62/91/65/573629165.db2.gz KKZPNAFLWYUFGM-SSDOTTSWSA-N 0 0 189.230 1.139 10 0 ADAERN Cc1ccc(C)c([C@@H](O)CO)c1O 75575901 573629171 /nfs/dbraw/zinc/62/91/71/573629171.db2.gz YFHNIBQWHUSNIU-QMMMGPOBSA-N 0 0 182.219 1.035 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc(O)cc(=O)[nH]2)C1 83783023 573629191 /nfs/dbraw/zinc/62/91/91/573629191.db2.gz CUBFYQRQSDZHSF-RNFRBKRXSA-N 0 0 194.234 1.379 10 0 ADAERN CC(C)[C@H]([C@@H]1C[C@H]1C(=O)[O-])[NH+](C)C 259534165 573629194 /nfs/dbraw/zinc/62/91/94/573629194.db2.gz NKDQJWJQQDNYEL-IWSPIJDZSA-N 0 0 185.267 1.293 10 0 ADAERN Cc1cc(C)cc([C@@](C)([NH3+])C(=O)[O-])c1 96554525 573629195 /nfs/dbraw/zinc/62/91/95/573629195.db2.gz HMMHRLOHVDUHBK-LLVKDONJSA-N 0 0 193.246 1.562 10 0 ADAERN CC[C@@H](C(=O)OC)C1CCOCC1 259133344 573629204 /nfs/dbraw/zinc/62/92/04/573629204.db2.gz HAVLCNKWJRYVGZ-SECBINFHSA-N 0 0 186.251 1.612 10 0 ADAERN O=Cc1ccccc1[C@H]1C[C@H]1O 259535400 573629211 /nfs/dbraw/zinc/62/92/11/573629211.db2.gz BJKFIFHLDGWWGN-NXEZZACHSA-N 0 0 162.188 1.347 10 0 ADAERN CN(CCC1CC1)c1ncc(N)cn1 308660560 573629217 /nfs/dbraw/zinc/62/92/17/573629217.db2.gz PSPXGFVGYSQOGX-UHFFFAOYSA-N 0 0 192.266 1.295 10 0 ADAERN CCc1c(OC)cc(O)cc1OC 75575897 573629248 /nfs/dbraw/zinc/62/92/48/573629248.db2.gz JHTNOAALNFTAMS-UHFFFAOYSA-N 0 0 182.219 1.972 10 0 ADAERN CC[C@@](C)(CO)CCc1nccn1C 126684852 573629256 /nfs/dbraw/zinc/62/92/56/573629256.db2.gz ZALVLWAWMQXVMH-LLVKDONJSA-N 0 0 196.294 1.761 10 0 ADAERN O=c1oc2ccccc2n1C(F)F 96549793 573629263 /nfs/dbraw/zinc/62/92/63/573629263.db2.gz FQRIJXOMFLQFCI-UHFFFAOYSA-N 0 0 185.129 1.990 10 0 ADAERN C[C@@H]1C[NH2+][C@@H](C(C)(C)C)[C@@H](C(=O)[O-])C1 107465782 573629285 /nfs/dbraw/zinc/62/92/85/573629285.db2.gz AMXBHSPXBPVDBD-XHNCKOQMSA-N 0 0 199.294 1.731 10 0 ADAERN O=C(/C=C/C1CCC1)NCC(F)F 308409192 573629295 /nfs/dbraw/zinc/62/92/95/573629295.db2.gz NPXWAQVZIVDTEY-SNAWJCMRSA-N 0 0 189.205 1.724 10 0 ADAERN C[C@H](CCO)Nc1nc(C2CC2)no1 308650159 573629304 /nfs/dbraw/zinc/62/93/04/573629304.db2.gz JXAZFCRZNODJKU-ZCFIWIBFSA-N 0 0 197.238 1.130 10 0 ADAERN Cc1cscc1C1N=NC(=O)O1 86825969 573629313 /nfs/dbraw/zinc/62/93/13/573629313.db2.gz HFYQPKYFBMOURV-UHFFFAOYSA-N 0 0 182.204 1.812 10 0 ADAERN OCCCc1cn2c(F)cccc2n1 259535315 573629321 /nfs/dbraw/zinc/62/93/21/573629321.db2.gz BIMPXMKBIUTKRU-UHFFFAOYSA-N 0 0 194.209 1.398 10 0 ADAERN CN(c1ccccc1)c1noc(N)n1 75579659 573629322 /nfs/dbraw/zinc/62/93/22/573629322.db2.gz AUWQQOPAQYBONF-UHFFFAOYSA-N 0 0 190.206 1.420 10 0 ADAERN Cc1ccc(-c2nccn2C)c(N)c1 96551236 573629339 /nfs/dbraw/zinc/62/93/39/573629339.db2.gz NBQKKWFZIWVUGM-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC(=O)[C@@H](C)N1C=CSCC1=O 96540400 573629358 /nfs/dbraw/zinc/62/93/58/573629358.db2.gz CXXVEHPHFFAIGP-ZCFIWIBFSA-N 0 0 185.248 1.011 10 0 ADAERN CONC1Cc2ccccc2C1 96544134 573629381 /nfs/dbraw/zinc/62/93/81/573629381.db2.gz HRDJGXVEUQQJHW-UHFFFAOYSA-N 0 0 163.220 1.305 10 0 ADAERN C[C@H]1CN[C@@](C)(c2ccccn2)O1 258824931 573629397 /nfs/dbraw/zinc/62/93/97/573629397.db2.gz YWEWHULAJOGBFP-WCBMZHEXSA-N 0 0 178.235 1.263 10 0 ADAERN O=Cc1ccccc1[C@H]1C[C@@H]1O 259535405 573629421 /nfs/dbraw/zinc/62/94/21/573629421.db2.gz BJKFIFHLDGWWGN-ZJUUUORDSA-N 0 0 162.188 1.347 10 0 ADAERN CCOC(=O)c1csc(N)c1C 86815133 573629433 /nfs/dbraw/zinc/62/94/33/573629433.db2.gz MJAHTUMTKGQRGA-UHFFFAOYSA-N 0 0 185.248 1.815 10 0 ADAERN C[C@H]1CC[C@H](c2noc(CN)n2)C1 83781281 573629440 /nfs/dbraw/zinc/62/94/40/573629440.db2.gz FDMCJAHWVBDPJO-BQBZGAKWSA-N 0 0 181.239 1.432 10 0 ADAERN Cc1cc(C=O)nn1-c1ccccc1 75577171 573629452 /nfs/dbraw/zinc/62/94/52/573629452.db2.gz XVYUFMIOZLCWCT-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN Cc1ccc(=O)n(C2CCOCC2)c1 96547475 573629480 /nfs/dbraw/zinc/62/94/80/573629480.db2.gz GLXOVTWXZNUFIY-UHFFFAOYSA-N 0 0 193.246 1.508 10 0 ADAERN O=C([O-])[C@@H]1CCC[NH2+][C@@H]1c1ccco1 107463558 573629494 /nfs/dbraw/zinc/62/94/94/573629494.db2.gz CPZQWCIDMPBSNB-APPZFPTMSA-N 0 0 195.218 1.405 10 0 ADAERN OCC/C=C/[C@@H]1CCCCO1 224449603 573629511 /nfs/dbraw/zinc/62/95/11/573629511.db2.gz FNWAIHZRMSCFJM-VBOWQXIBSA-N 0 0 156.225 1.494 10 0 ADAERN CCC(C)(C)C[NH2+]C[C@H]1C[C@@H]1C(=O)[O-] 258825630 573629515 /nfs/dbraw/zinc/62/95/15/573629515.db2.gz GQWXJNNRSBQCOT-BDAKNGLRSA-N 0 0 199.294 1.733 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+]Cc1ccoc1 130635404 573629541 /nfs/dbraw/zinc/62/95/41/573629541.db2.gz FQVIJOPFEAOLKE-MRVPVSSYSA-N 0 0 197.234 1.623 10 0 ADAERN COC(=O)/C=C\c1cncn1C1CC1 308409068 573629557 /nfs/dbraw/zinc/62/95/57/573629557.db2.gz FSRCFZQDKSLXRK-PLNGDYQASA-N 0 0 192.218 1.404 10 0 ADAERN Cc1cc(F)ccc1CCON 258072608 573629563 /nfs/dbraw/zinc/62/95/63/573629563.db2.gz USGVYCBSFKYPGF-UHFFFAOYSA-N 0 0 169.199 1.567 10 0 ADAERN COC(=O)C1CC2(CCSC2)C1 259535202 573629566 /nfs/dbraw/zinc/62/95/66/573629566.db2.gz FSGGVVPPFZALEC-UHFFFAOYSA-N 0 0 186.276 1.693 10 0 ADAERN C[C@H](O)c1cc(F)c2c(c1)OCCO2 258072980 573632141 /nfs/dbraw/zinc/63/21/41/573632141.db2.gz MMVDNNFMSDGUEV-LURJTMIESA-N 0 0 198.193 1.650 10 0 ADAERN COCc1ccc(CNOC)c(F)c1 258074082 573632152 /nfs/dbraw/zinc/63/21/52/573632152.db2.gz IKDOJBTZKXVALF-UHFFFAOYSA-N 0 0 199.225 1.623 10 0 ADAERN O=Cc1nccn2cccc12 258074660 573632159 /nfs/dbraw/zinc/63/21/59/573632159.db2.gz UWYREDVGIYNSPB-UHFFFAOYSA-N 0 0 146.149 1.147 10 0 ADAERN c1cnc(CNCc2ccoc2)cn1 130635832 573632183 /nfs/dbraw/zinc/63/21/83/573632183.db2.gz IQPGGAXVMUZORE-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN O=CNc1ccc(Cl)nc1 96610497 573632189 /nfs/dbraw/zinc/63/21/89/573632189.db2.gz DKEAWJPWNSLHDE-UHFFFAOYSA-N 0 0 156.572 1.303 10 0 ADAERN COC(=O)[C@H]1[C@@H](c2ccncc2)[C@H]1C 259536152 573632199 /nfs/dbraw/zinc/63/21/99/573632199.db2.gz FUWSIEWGXQKWSN-SZEHBUNVSA-N 0 0 191.230 1.604 10 0 ADAERN Cc1nc(N)nc([C@H]2CC[C@H](C)C2)n1 83791086 573632210 /nfs/dbraw/zinc/63/22/10/573632210.db2.gz OLCVOPKKQJDZAN-XPUUQOCRSA-N 0 0 192.266 1.666 10 0 ADAERN COCCC(=O)C1=C(O)CCCCC1 43651215 573632216 /nfs/dbraw/zinc/63/22/16/573632216.db2.gz JENCIJWPAVJTOM-SECBINFHSA-N 0 0 198.262 1.741 10 0 ADAERN CNC(=O)[C@H]1C[C@@H]1c1ccc(O)cc1 96587673 573632220 /nfs/dbraw/zinc/63/22/20/573632220.db2.gz LXBIHJLFZWWAJG-ZJUUUORDSA-N 0 0 191.230 1.242 10 0 ADAERN CCc1oc(CN)nc1[C@H]1CCCO1 258074871 573632231 /nfs/dbraw/zinc/63/22/31/573632231.db2.gz LTCJQHSWZINEJA-MRVPVSSYSA-N 0 0 196.250 1.547 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccncc1 259536149 573632242 /nfs/dbraw/zinc/63/22/42/573632242.db2.gz FUWSIEWGXQKWSN-FXBDTBDDSA-N 0 0 191.230 1.604 10 0 ADAERN C[C@@H]1CC[C@@H](c2nccc(N)n2)C1 83789727 573632267 /nfs/dbraw/zinc/63/22/67/573632267.db2.gz FYLUDUCPIGDONW-HTQZYQBOSA-N 0 0 177.251 1.962 10 0 ADAERN O[C@@H]1COC[C@H]1CCC1CCCC1 687970196 573632270 /nfs/dbraw/zinc/63/22/70/573632270.db2.gz QBBKUTSAAACUPA-GHMZBOCLSA-N 0 0 184.279 1.964 10 0 ADAERN C[C@H]1CC(C)(C)C(=O)[C@H]1CCO 238460105 573632282 /nfs/dbraw/zinc/63/22/82/573632282.db2.gz BIQICPKSYPZUCL-YUMQZZPRSA-N 0 0 170.252 1.620 10 0 ADAERN Cc1cccc2nc(Cl)c(N)n12 238459158 573632293 /nfs/dbraw/zinc/63/22/93/573632293.db2.gz ZNYXEMJCCJIEFI-UHFFFAOYSA-N 0 0 181.626 1.878 10 0 ADAERN C[C@@H]1CC[C@H](c2noc(CO)n2)C1 83791010 573632304 /nfs/dbraw/zinc/63/23/04/573632304.db2.gz YXEGVDLKGFVXEB-RQJHMYQMSA-N 0 0 182.223 1.466 10 0 ADAERN OCCC(F)(N(F)F)N(F)F 223200722 573632345 /nfs/dbraw/zinc/63/23/45/573632345.db2.gz DWWGRTYQQWRCFC-UHFFFAOYSA-N 0 0 180.076 1.134 10 0 ADAERN Cc1cc2c(c(=O)[nH]1)C[C@@H]2C 238459314 573632346 /nfs/dbraw/zinc/63/23/46/573632346.db2.gz PDAQHVWZXQOCEM-YFKPBYRVSA-N 0 0 149.193 1.343 10 0 ADAERN Cc1cccc2oc(CO)c(CO)c12 238459868 573632354 /nfs/dbraw/zinc/63/23/54/573632354.db2.gz PLIOLWGVKJWCGV-UHFFFAOYSA-N 0 0 192.214 1.726 10 0 ADAERN CC(C)n1c(CCO)cnc1Cl 258412741 573632384 /nfs/dbraw/zinc/63/23/84/573632384.db2.gz CCQQDJSYCKQGPC-UHFFFAOYSA-N 0 0 188.658 1.652 10 0 ADAERN C[C@@H]1CC[C@@H](c2nc(CO)c[nH]2)C1 83790627 573632393 /nfs/dbraw/zinc/63/23/93/573632393.db2.gz XCMINJFCOGKUEF-HTQZYQBOSA-N 0 0 180.251 1.806 10 0 ADAERN Cc1ccc(C[C@H](C)O)c(C)c1O 258074610 573632414 /nfs/dbraw/zinc/63/24/14/573632414.db2.gz UVWHHVXMCNCHDI-QMMMGPOBSA-N 0 0 180.247 1.932 10 0 ADAERN CC(C)[C@@H](C)C(=O)N[C@H]1CCCC1=O 716027515 573632438 /nfs/dbraw/zinc/63/24/38/573632438.db2.gz POZYWCLAPNAUCF-BDAKNGLRSA-N 0 0 197.278 1.516 10 0 ADAERN COc1nc(C(C)C)c(N)cc1N 257834924 573632440 /nfs/dbraw/zinc/63/24/40/573632440.db2.gz KUDDWTZTDRPQKZ-UHFFFAOYSA-N 0 0 181.239 1.378 10 0 ADAERN C[C@H](O)n1c(=N)sc2ccccc21 238454686 573632463 /nfs/dbraw/zinc/63/24/63/573632463.db2.gz LIFHRFKVFKLJQS-LURJTMIESA-N 0 0 194.259 1.693 10 0 ADAERN CC(=O)[C@@]1(C)C[C@H](C)C1=O 238454633 573632479 /nfs/dbraw/zinc/63/24/79/573632479.db2.gz VRWRYMGPVINZQW-YLWLKBPMSA-N 0 0 140.182 1.191 10 0 ADAERN Nc1ncc([C@H]2CCCCO2)o1 259535584 573632482 /nfs/dbraw/zinc/63/24/82/573632482.db2.gz BKWYZBQNBILHNW-ZCFIWIBFSA-N 0 0 168.196 1.498 10 0 ADAERN C[N@@H+]1C[C@@H](C2CCC2)C[C@@H]1C(=O)[O-] 257834953 573632486 /nfs/dbraw/zinc/63/24/86/573632486.db2.gz KVFUGSFVLAIGDO-DTWKUNHWSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@@H]1CCc2cc(C=O)c(O)cc2O1 75580553 573632505 /nfs/dbraw/zinc/63/25/05/573632505.db2.gz PFVUDEBHSCADCB-SSDOTTSWSA-N 0 0 192.214 1.918 10 0 ADAERN COc1nccc(-c2ccccn2)n1 259144293 573632519 /nfs/dbraw/zinc/63/25/19/573632519.db2.gz RJIQWRAAYVXOHW-UHFFFAOYSA-N 0 0 187.202 1.547 10 0 ADAERN CCc1c[nH]c([C@H]2CSCCN2)n1 257835049 573632554 /nfs/dbraw/zinc/63/25/54/573632554.db2.gz 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C[C@H]1[C@H](CC(=O)[O-])CC[N@@H+]1C1CC1 238460934 573638441 /nfs/dbraw/zinc/63/84/41/573638441.db2.gz CHJWWWTUZIXJQS-YUMQZZPRSA-N 0 0 183.251 1.334 10 0 ADAERN COC(C)(C)CC1([C@@H](C)O)CC1 393586178 573638458 /nfs/dbraw/zinc/63/84/58/573638458.db2.gz AIAJNWORTUEZBU-MRVPVSSYSA-N 0 0 172.268 1.963 10 0 ADAERN C[C@H](O)[C@H]1CN(C)c2ccccc21 257838070 573638483 /nfs/dbraw/zinc/63/84/83/573638483.db2.gz AZYKALVJVBEGRG-WCBMZHEXSA-N 0 0 177.247 1.601 10 0 ADAERN C[C@H]1CC(C)(C)C[C@](O)(CCO)C1 238461172 573638501 /nfs/dbraw/zinc/63/85/01/573638501.db2.gz QFJKCNWXQCLEPS-ONGXEEELSA-N 0 0 186.295 1.946 10 0 ADAERN CONC/C=C\c1ccccc1 78820431 573638508 /nfs/dbraw/zinc/63/85/08/573638508.db2.gz QAJQEMQXQLGSPT-YVMONPNESA-N 0 0 163.220 1.851 10 0 ADAERN CCOC[C@H](O)Cc1nccs1 86827319 573638513 /nfs/dbraw/zinc/63/85/13/573638513.db2.gz ZSFOGLMXZNDJGS-SSDOTTSWSA-N 0 0 187.264 1.083 10 0 ADAERN Oc1ccc(O[C@H]2CCCOC2)cc1 75596320 573638519 /nfs/dbraw/zinc/63/85/19/573638519.db2.gz SCRYQFPRMPIRNV-NSHDSACASA-N 0 0 194.230 1.950 10 0 ADAERN CO[C@@H](C)CNc1ccnc(F)c1 224476598 573638521 /nfs/dbraw/zinc/63/85/21/573638521.db2.gz ZZJRPGKFGUGJSP-ZETCQYMHSA-N 0 0 184.214 1.668 10 0 ADAERN CSC[C@H](O)Cc1nccs1 86827223 573638522 /nfs/dbraw/zinc/63/85/22/573638522.db2.gz NQJXKHZSDAATNV-ZCFIWIBFSA-N 0 0 189.305 1.410 10 0 ADAERN O=C([O-])CCC[N@@H+]1CCC[C@H]1CF 393500536 573638534 /nfs/dbraw/zinc/63/85/34/573638534.db2.gz ZIVXFSZKIVXDKA-QMMMGPOBSA-N 0 0 189.230 1.285 10 0 ADAERN CNc1cc(-c2cccnc2)n(C)n1 259146896 573638549 /nfs/dbraw/zinc/63/85/49/573638549.db2.gz KBWVQBOKFWWGJY-UHFFFAOYSA-N 0 0 188.234 1.524 10 0 ADAERN OCCCc1nc(-c2cc[nH]c2)c[nH]1 259147327 573638560 /nfs/dbraw/zinc/63/85/60/573638560.db2.gz SHBSKZMXURJUGZ-UHFFFAOYSA-N 0 0 191.234 1.330 10 0 ADAERN CCCC[C@H](F)[C@H](C)O 257845415 573638580 /nfs/dbraw/zinc/63/85/80/573638580.db2.gz PVKWTZQBTWLMLZ-BQBZGAKWSA-N 0 0 134.194 1.896 10 0 ADAERN Nc1ncccc1Cc1nccs1 86828046 573638583 /nfs/dbraw/zinc/63/85/83/573638583.db2.gz ZCIMQFRDULUQSJ-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN OCNCc1cc(F)ccc1F 258826085 573638592 /nfs/dbraw/zinc/63/85/92/573638592.db2.gz AVEZPUYGQKNDRE-UHFFFAOYSA-N 0 0 173.162 1.004 10 0 ADAERN CCOCCN(OC)C1CCCC1 393586161 573638604 /nfs/dbraw/zinc/63/86/04/573638604.db2.gz SYGIMISQMFZDCX-UHFFFAOYSA-N 0 0 187.283 1.829 10 0 ADAERN CCCCc1nc2nc(N)ccc2[nH]1 86830788 573638622 /nfs/dbraw/zinc/63/86/22/573638622.db2.gz YRMSHRMFOSOCBG-UHFFFAOYSA-N 0 0 190.250 1.883 10 0 ADAERN c1ccc(CNCc2cocn2)nc1 308651287 573638624 /nfs/dbraw/zinc/63/86/24/573638624.db2.gz KPTPNAVSXMPKDH-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN CC(=O)c1cc2c(nnn2C)s1 75589928 573638634 /nfs/dbraw/zinc/63/86/34/573638634.db2.gz ZCZMULPRAIFZTB-UHFFFAOYSA-N 0 0 181.220 1.232 10 0 ADAERN CC(C)c1ccn(-c2ccncn2)n1 86829503 573638636 /nfs/dbraw/zinc/63/86/36/573638636.db2.gz AIYJBSRIKDJRPV-UHFFFAOYSA-N 0 0 188.234 1.786 10 0 ADAERN C[C@H]1Oc2sccc2NC1=O 75592125 573638642 /nfs/dbraw/zinc/63/86/42/573638642.db2.gz DCJVCHMHMXCCLC-SCSAIBSYSA-N 0 0 169.205 1.468 10 0 ADAERN CC(C)CN1C(=O)C[C@@H](CO)C1(C)C 259146030 573638669 /nfs/dbraw/zinc/63/86/69/573638669.db2.gz DZDDQBIFLCUGAG-VIFPVBQESA-N 0 0 199.294 1.262 10 0 ADAERN O[C@@H]1CCC[C@@H]1Cc1nccs1 86828133 573638673 /nfs/dbraw/zinc/63/86/73/573638673.db2.gz UIFSOASRTYFQCZ-HTQZYQBOSA-N 0 0 183.276 1.847 10 0 ADAERN CNc1ccc2[nH]c(C(C)=O)nc2n1 86830961 573638689 /nfs/dbraw/zinc/63/86/89/573638689.db2.gz CTRKEKDJCFOMNS-UHFFFAOYSA-N 0 0 190.206 1.202 10 0 ADAERN Cn1nc([C@@]2(C)CCSC2)cc1N 258074925 573638694 /nfs/dbraw/zinc/63/86/94/573638694.db2.gz LUAXGRTUESCFPT-VIFPVBQESA-N 0 0 197.307 1.397 10 0 ADAERN Nc1cc([C@H]2CCCS2)nnc1N 259538633 573638703 /nfs/dbraw/zinc/63/87/03/573638703.db2.gz UYEYMCABVWNMNS-SSDOTTSWSA-N 0 0 196.279 1.209 10 0 ADAERN C[C@]1(c2nnc(C=O)s2)CCOC1 257845013 573638726 /nfs/dbraw/zinc/63/87/26/573638726.db2.gz CVFPVCIGXLWMSH-QMMMGPOBSA-N 0 0 198.247 1.029 10 0 ADAERN C[C@H](O)CCc1cccc2c1NCC2 257845038 573638737 /nfs/dbraw/zinc/63/87/37/573638737.db2.gz NKSPYDLTUYPOCM-VIFPVBQESA-N 0 0 191.274 1.968 10 0 ADAERN CCCC[C@@H](C(=O)[O-])[C@@H](C)[NH3+] 147826467 573638783 /nfs/dbraw/zinc/63/87/83/573638783.db2.gz XJDLYSRZKWNOFL-RNFRBKRXSA-N 0 0 159.229 1.225 10 0 ADAERN CO[C@@H](C)c1cccc(CO)c1 259538499 573638840 /nfs/dbraw/zinc/63/88/40/573638840.db2.gz UVUDFGKCGIQALH-QMMMGPOBSA-N 0 0 166.220 1.886 10 0 ADAERN CC(=O)c1cc(C)nn1-c1ncco1 75587804 573638848 /nfs/dbraw/zinc/63/88/48/573638848.db2.gz KTGDGULFDIWOCC-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN O=C(N[C@H]1CCCC1=O)C1CC=CC1 716054755 573638865 /nfs/dbraw/zinc/63/88/65/573638865.db2.gz KNYSATSXDHQSQN-VIFPVBQESA-N 0 0 193.246 1.190 10 0 ADAERN CCc1nc2nc(NC)ccc2[nH]1 86830954 573638867 /nfs/dbraw/zinc/63/88/67/573638867.db2.gz KNSPZAQBPZYWND-UHFFFAOYSA-N 0 0 176.223 1.562 10 0 ADAERN C[C@H](CO)[C@H]1Cc2ccc(O)cc2C1 257845046 573638869 /nfs/dbraw/zinc/63/88/69/573638869.db2.gz NKWNRKHBVUQCHG-SCZZXKLOSA-N 0 0 192.258 1.735 10 0 ADAERN CC(C)[NH+]1CC(C(F)(F)C(=O)[O-])C1 257844991 573638879 /nfs/dbraw/zinc/63/88/79/573638879.db2.gz NJUMGZJZIFSSEI-UHFFFAOYSA-N 0 0 193.193 1.047 10 0 ADAERN NC(=S)[C@@H]1CCOc2ccccc21 83791454 573638882 /nfs/dbraw/zinc/63/88/82/573638882.db2.gz AEBYTBPFOHNMLJ-MRVPVSSYSA-N 0 0 193.271 1.839 10 0 ADAERN O[C@@H]1CC[C@@H](Cc2nccs2)C1 86828452 573638955 /nfs/dbraw/zinc/63/89/55/573638955.db2.gz ZVDPHDNMOBLQHD-HTQZYQBOSA-N 0 0 183.276 1.847 10 0 ADAERN COCNc1cc[nH]c1 259145196 573638964 /nfs/dbraw/zinc/63/89/64/573638964.db2.gz RTVOWWDWPZEGTF-UHFFFAOYSA-N 0 0 126.159 1.031 10 0 ADAERN C[C@H](O)Cc1ccc(F)c(N(C)C)c1 259538493 573638966 /nfs/dbraw/zinc/63/89/66/573638966.db2.gz UVRGEPYNCWPHOP-QMMMGPOBSA-N 0 0 197.253 1.815 10 0 ADAERN C[C@@H]1c2ccccc2C(=O)[C@H]1CCO 238461653 573638968 /nfs/dbraw/zinc/63/89/68/573638968.db2.gz HZJBEBQGVZLSEA-SCZZXKLOSA-N 0 0 190.242 1.985 10 0 ADAERN OCC1(CC2CCCC2)COC1 259147045 573638971 /nfs/dbraw/zinc/63/89/71/573638971.db2.gz CYRYYBQEWIJOIZ-UHFFFAOYSA-N 0 0 170.252 1.576 10 0 ADAERN Cc1noc(-c2cccc(O)c2)c1N 257845040 573638997 /nfs/dbraw/zinc/63/89/97/573638997.db2.gz NKUKFPUJMZHFBP-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN C[C@@H]1C[C@H]1[C@H](O)Cc1nccs1 86827317 573639027 /nfs/dbraw/zinc/63/90/27/573639027.db2.gz QDENEQOGSKSMCQ-BWZBUEFSSA-N 0 0 183.276 1.703 10 0 ADAERN Cc1nc(N(C)C)c(Cl)[nH]1 149278553 573639041 /nfs/dbraw/zinc/63/90/41/573639041.db2.gz PUELLDLUYYOGSP-UHFFFAOYSA-N 0 0 159.620 1.438 10 0 ADAERN C[C@@H](O)[C@H]1CCOc2ccccc21 83799697 573639049 /nfs/dbraw/zinc/63/90/49/573639049.db2.gz IBVMFLLWMMNEGL-RKDXNWHRSA-N 0 0 178.231 1.934 10 0 ADAERN CC[C@@H]1CC[C@H](c2noc(CN)n2)C1 83791511 573639067 /nfs/dbraw/zinc/63/90/67/573639067.db2.gz DGOXOAXHRMPXJA-SFYZADRCSA-N 0 0 195.266 1.822 10 0 ADAERN CC[C@@H]1[C@H](C(=O)[O-])C2CC[NH+]1CC2 259538559 573639092 /nfs/dbraw/zinc/63/90/92/573639092.db2.gz BPTCOGHPTQVALV-RKDXNWHRSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)Cc1nccs1 86827142 573639093 /nfs/dbraw/zinc/63/90/93/573639093.db2.gz NKHISQTWVXLNSN-BQBZGAKWSA-N 0 0 181.260 1.911 10 0 ADAERN C[C@H](CC(=O)[O-])[NH2+][C@@H]1[C@H]2CCCC[C@H]21 308651792 573639124 /nfs/dbraw/zinc/63/91/24/573639124.db2.gz KZBZJHZUSJBSSR-REIXXSIJSA-N 0 0 197.278 1.628 10 0 ADAERN C[C@@H]1CCCC[C@@]1(O)CCCO 238461874 573639142 /nfs/dbraw/zinc/63/91/42/573639142.db2.gz CWIYSBHFFPABAG-NXEZZACHSA-N 0 0 172.268 1.700 10 0 ADAERN CC(=O)N1C[C@@H](C)Oc2occc21 75595838 573639143 /nfs/dbraw/zinc/63/91/43/573639143.db2.gz YPMNAGIKLUVSEG-ZCFIWIBFSA-N 0 0 181.191 1.413 10 0 ADAERN CCOc1ccc2nc(C=O)[nH]c2n1 86830564 573639144 /nfs/dbraw/zinc/63/91/44/573639144.db2.gz SJGVSOZREKLCMV-UHFFFAOYSA-N 0 0 191.190 1.169 10 0 ADAERN Cc1ccnc(=NN2CCCCC2)[nH]1 96731315 573639146 /nfs/dbraw/zinc/63/91/46/573639146.db2.gz PSYBQPHQKXHDCX-UHFFFAOYSA-N 0 0 192.266 1.598 10 0 ADAERN Cc1ccccc1/C=C/[C@@H](O)CO 238461557 573639158 /nfs/dbraw/zinc/63/91/58/573639158.db2.gz KSXXCUWKWOBGLH-XUIVZRPNSA-N 0 0 178.231 1.361 10 0 ADAERN COCC(=O)N(C)[C@@H](C)C1CCC1 393545712 573639195 /nfs/dbraw/zinc/63/91/95/573639195.db2.gz JKFMKCVWIMGOTH-QMMMGPOBSA-N 0 0 185.267 1.280 10 0 ADAERN C[C@@H](CO)[C@@H]1Cc2ccc(O)cc2C1 257845048 573639198 /nfs/dbraw/zinc/63/91/98/573639198.db2.gz NKWNRKHBVUQCHG-WCBMZHEXSA-N 0 0 192.258 1.735 10 0 ADAERN CC[C@H]1CC[C@H](c2noc(CN)n2)C1 83791512 573639219 /nfs/dbraw/zinc/63/92/19/573639219.db2.gz DGOXOAXHRMPXJA-YUMQZZPRSA-N 0 0 195.266 1.822 10 0 ADAERN CCCc1nc2nc(NC)ccc2[nH]1 86830941 573639225 /nfs/dbraw/zinc/63/92/25/573639225.db2.gz OMYKSJIANNZTGJ-UHFFFAOYSA-N 0 0 190.250 1.952 10 0 ADAERN CCN1C[C@@H](C2CCCCC2)NC1=O 223295736 573639252 /nfs/dbraw/zinc/63/92/52/573639252.db2.gz KAKMXYJREIKYHP-JTQLQIEISA-N 0 0 196.294 1.980 10 0 ADAERN Cc1cc(C[C@H](C)O)c(O)c(C)c1O 75599180 573639263 /nfs/dbraw/zinc/63/92/63/573639263.db2.gz GDJFOHOKYKORFC-ZETCQYMHSA-N 0 0 196.246 1.638 10 0 ADAERN CC(=O)c1cc(C)nn1-c1cc[nH]n1 75587901 573639277 /nfs/dbraw/zinc/63/92/77/573639277.db2.gz CZPASOBSGANVRC-UHFFFAOYSA-N 0 0 190.206 1.106 10 0 ADAERN C[C@@H]1[C@H](O)CCC1(C)C 238461491 573639288 /nfs/dbraw/zinc/63/92/88/573639288.db2.gz GVUFACOEKHAXPF-RNFRBKRXSA-N 0 0 128.215 1.803 10 0 ADAERN C[Si]1(C[C@@H]([NH3+])C(=O)[O-])CCCC1 238461577 573639298 /nfs/dbraw/zinc/63/92/98/573639298.db2.gz JOWBFKVJBAWMTH-SSDOTTSWSA-N 0 0 187.315 1.271 10 0 ADAERN C[C@@H]1[C@H](O)CCC[C@@](C)(O)[C@@H]1C 238461715 573639306 /nfs/dbraw/zinc/63/93/06/573639306.db2.gz ZOOXFNWNZWDTHX-SGIHWFKDSA-N 0 0 172.268 1.554 10 0 ADAERN CN1CCC(=O)[C@H]1c1cccc(N)c1 257845001 573639316 /nfs/dbraw/zinc/63/93/16/573639316.db2.gz NJYFGBPKFMERAJ-LLVKDONJSA-N 0 0 190.246 1.215 10 0 ADAERN C[C@H]1CC(C)(C)N=C([C@H](C)O)O1 238461383 573639328 /nfs/dbraw/zinc/63/93/28/573639328.db2.gz WEQNCRXUGNONBQ-BQBZGAKWSA-N 0 0 171.240 1.353 10 0 ADAERN C[NH+]1CCC(C/C=C/C(=O)[O-])CC1 259145211 573639339 /nfs/dbraw/zinc/63/93/39/573639339.db2.gz FPPCUVBWPYACKN-DUXPYHPUSA-N 0 0 183.251 1.359 10 0 ADAERN C[C@]1(c2ccco2)NN=C(N)S1 238470903 573656213 /nfs/dbraw/zinc/65/62/13/573656213.db2.gz PYRWQLJCWCRIAU-ZETCQYMHSA-N 0 0 183.236 1.018 10 0 ADAERN C[C@@H]1C[C@H]1c1nc(Cl)n[nH]1 83811094 573656214 /nfs/dbraw/zinc/65/62/14/573656214.db2.gz FJWSLKFCJRPVJT-QWWZWVQMSA-N 0 0 157.604 1.582 10 0 ADAERN Cc1cc(O)cc([C@H](C)O)c1F 258082405 573656220 /nfs/dbraw/zinc/65/62/20/573656220.db2.gz VVTKQEXJXQKQDN-LURJTMIESA-N 0 0 170.183 1.893 10 0 ADAERN COC(=O)c1c[nH]c([C@H]2C[C@@H]2C)n1 83810309 573656222 /nfs/dbraw/zinc/65/62/22/573656222.db2.gz VYBHBKGUKCJARO-WDSKDSINSA-N 0 0 180.207 1.320 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc2c(s1)C[NH2+]CC2 83810368 573656227 /nfs/dbraw/zinc/65/62/27/573656227.db2.gz GCLKAWQYHVENIB-RQJHMYQMSA-N 0 0 194.303 1.912 10 0 ADAERN Cc1cc(O)c(F)c(C[C@@H](C)O)c1 258083354 573656236 /nfs/dbraw/zinc/65/62/36/573656236.db2.gz NIMAPSMVNVMLBK-SSDOTTSWSA-N 0 0 184.210 1.763 10 0 ADAERN Cc1ccc(O)c2c1C(F)(F)C(=O)N2 238458776 573656237 /nfs/dbraw/zinc/65/62/37/573656237.db2.gz RQEOUGVPIUZNOZ-UHFFFAOYSA-N 0 0 199.156 1.745 10 0 ADAERN CCc1nc(N)nc([C@H]2C[C@@H]2C)n1 83811057 573655542 /nfs/dbraw/zinc/65/55/42/573655542.db2.gz AIHZMSBEKLJOON-WDSKDSINSA-N 0 0 178.239 1.140 10 0 ADAERN Cc1nc2c(C)cc(C=O)cn2n1 107820094 573655544 /nfs/dbraw/zinc/65/55/44/573655544.db2.gz PQZSALPMKXWHMJ-UHFFFAOYSA-N 0 0 175.191 1.159 10 0 ADAERN O=C1CC[C@@H](c2ccc(CO)cc2)O1 224491885 573655561 /nfs/dbraw/zinc/65/55/61/573655561.db2.gz YOIUTLSFTZKDAH-JTQLQIEISA-N 0 0 192.214 1.557 10 0 ADAERN NOCCc1ccc(Cl)cc1O 258083248 573655563 /nfs/dbraw/zinc/65/55/63/573655563.db2.gz NGZLNBVLRPRXHP-UHFFFAOYSA-N 0 0 187.626 1.478 10 0 ADAERN N[C@@H](F)C1CCCC1 257841194 573655570 /nfs/dbraw/zinc/65/55/70/573655570.db2.gz OFHIQWWBFQNWPU-ZCFIWIBFSA-N 0 0 117.167 1.431 10 0 ADAERN Cn1cc(-c2cccc(O)c2)c(N)n1 257841768 573655576 /nfs/dbraw/zinc/65/55/76/573655576.db2.gz OLJAMADGXJWAHA-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN ONCc1ccccc1-c1ncco1 258083294 573655579 /nfs/dbraw/zinc/65/55/79/573655579.db2.gz NHLNQAZZOVFMJZ-UHFFFAOYSA-N 0 0 190.202 1.820 10 0 ADAERN CC(=O)[C@H](C)c1nc([C@H]2C[C@H]2C)no1 83810776 573655585 /nfs/dbraw/zinc/65/55/85/573655585.db2.gz MKLQVCVLUHRPTF-CHKWXVPMSA-N 0 0 194.234 1.886 10 0 ADAERN C[C@@H](O)Cc1cc(CO)ccc1F 258083343 573655586 /nfs/dbraw/zinc/65/55/86/573655586.db2.gz NIIRXXBLDWFDPV-SSDOTTSWSA-N 0 0 184.210 1.241 10 0 ADAERN CC(=O)Cc1nc([C@@H]2C[C@H]2C)no1 83810754 573655601 /nfs/dbraw/zinc/65/56/01/573655601.db2.gz CVQYITCAEFWDIZ-IYSWYEEDSA-N 0 0 180.207 1.325 10 0 ADAERN OCCCc1cc(F)c(O)c(F)c1 258083425 573655620 /nfs/dbraw/zinc/65/56/20/573655620.db2.gz NKMBSDJXHXFDMW-UHFFFAOYSA-N 0 0 188.173 1.595 10 0 ADAERN O[C@@H]1COC[C@@H]1C1CC2(CCC2)C1 717520354 573655622 /nfs/dbraw/zinc/65/56/22/573655622.db2.gz ACDSNWYKSIKHCI-NXEZZACHSA-N 0 0 182.263 1.574 10 0 ADAERN C[C@H](O)Cc1cc(CO)ccc1F 258083345 573655629 /nfs/dbraw/zinc/65/56/29/573655629.db2.gz NIIRXXBLDWFDPV-ZETCQYMHSA-N 0 0 184.210 1.241 10 0 ADAERN O[C@H]1COC[C@H]1C1CC2(CCC2)C1 717520362 573655632 /nfs/dbraw/zinc/65/56/32/573655632.db2.gz ACDSNWYKSIKHCI-UWVGGRQHSA-N 0 0 182.263 1.574 10 0 ADAERN CC(=O)C[C@@H](C)OCC(F)F 130698774 573655634 /nfs/dbraw/zinc/65/56/34/573655634.db2.gz VGLDFHHFIMELOW-ZCFIWIBFSA-N 0 0 166.167 1.636 10 0 ADAERN CCN1c2ccccc2C[C@@H]1[C@@H](C)O 257841780 573655650 /nfs/dbraw/zinc/65/56/50/573655650.db2.gz BYOFAGBKQBZLLW-BXKDBHETSA-N 0 0 191.274 1.818 10 0 ADAERN CC[C@H](C)CN(C)N=O 33753263 573655657 /nfs/dbraw/zinc/65/56/57/573655657.db2.gz RAPPKPUENZGVFU-LURJTMIESA-N 0 0 130.191 1.646 10 0 ADAERN COC(=O)CN1Cc2ccccc2N1 258082354 573655672 /nfs/dbraw/zinc/65/56/72/573655672.db2.gz VSWOPGRPZBAGMZ-UHFFFAOYSA-N 0 0 192.218 1.002 10 0 ADAERN C[C@H]1CCC[N@@H+]1C1(CC(=O)[O-])CCC1 86852781 573655679 /nfs/dbraw/zinc/65/56/79/573655679.db2.gz VXMCHICDSAOGJM-VIFPVBQESA-N 0 0 197.278 1.868 10 0 ADAERN OCc1cccc([C@@H]2C[C@@H]2O)c1 259543215 573655685 /nfs/dbraw/zinc/65/56/85/573655685.db2.gz BXVPKRQTUOUPOT-UWVGGRQHSA-N 0 0 164.204 1.027 10 0 ADAERN O=C([O-])[C@H]1C[C@@H](c2ccc(F)cc2)[NH2+]1 257841224 573655689 /nfs/dbraw/zinc/65/56/89/573655689.db2.gz MERRGZPMUWKTQV-DTWKUNHWSA-N 0 0 195.193 1.313 10 0 ADAERN Cc1ccc(C)c2c1OC(=O)[C@H]2O 238457953 573655691 /nfs/dbraw/zinc/65/56/91/573655691.db2.gz CAMVKHNAUNTMEQ-QMMMGPOBSA-N 0 0 178.187 1.256 10 0 ADAERN C[C@H]1Cc2ccc(CCON)cc2O1 258083377 573655703 /nfs/dbraw/zinc/65/57/03/573655703.db2.gz NIWMGTUSNGOSSD-QMMMGPOBSA-N 0 0 193.246 1.443 10 0 ADAERN Cc1cccc2c1CCC[C@]2(O)CO 257841222 573655712 /nfs/dbraw/zinc/65/57/12/573655712.db2.gz MERPGWKBLMWNDG-LBPRGKRZSA-N 0 0 192.258 1.511 10 0 ADAERN CCNc1nc([C@@H]2C[C@H]2C)no1 83810378 573655753 /nfs/dbraw/zinc/65/57/53/573655753.db2.gz TVYSNCICIGXVSU-PHDIDXHHSA-N 0 0 167.212 1.625 10 0 ADAERN NC(=S)[C@@H]1CCCCC[C@H]1O 83811822 573655762 /nfs/dbraw/zinc/65/57/62/573655762.db2.gz QCCFNZNCHLHGJQ-RNFRBKRXSA-N 0 0 173.281 1.214 10 0 ADAERN CNc1nc([C@H]2C[C@H]2C)no1 83810372 573655773 /nfs/dbraw/zinc/65/57/73/573655773.db2.gz APCLGWYICAPIRT-UHNVWZDZSA-N 0 0 153.185 1.235 10 0 ADAERN C[C@@]12O[C@H]1CCCCC2=O 238458884 573655790 /nfs/dbraw/zinc/65/57/90/573655790.db2.gz BRXXMCQEDPPHNB-YUMQZZPRSA-N 0 0 140.182 1.287 10 0 ADAERN CCc1nc2c(N)c(C)ccn2n1 107814431 573655792 /nfs/dbraw/zinc/65/57/92/573655792.db2.gz WOVYCLIUBWXGSW-UHFFFAOYSA-N 0 0 176.223 1.182 10 0 ADAERN COc1ccc(SC)cc1CCO 258081676 573655798 /nfs/dbraw/zinc/65/57/98/573655798.db2.gz IXQNUPGAUYAMEP-UHFFFAOYSA-N 0 0 198.287 1.952 10 0 ADAERN C[C@H]1C[C@@H]1c1nccc(C[NH3+])n1 83810429 573655811 /nfs/dbraw/zinc/65/58/11/573655811.db2.gz ANCPRVUVJKXUNN-XPUUQOCRSA-N 0 0 163.224 1.059 10 0 ADAERN C[C@H]1CC(=O)[C@H](CCO)C1(C)C 238458008 573655813 /nfs/dbraw/zinc/65/58/13/573655813.db2.gz BNGCXJMNWYDUDH-YUMQZZPRSA-N 0 0 170.252 1.620 10 0 ADAERN C[C@@H]1C[C@@H]1c1noc(NC2CC2)n1 83810388 573655824 /nfs/dbraw/zinc/65/58/24/573655824.db2.gz GQDYCPWQEGWBMM-VDTYLAMSSA-N 0 0 179.223 1.767 10 0 ADAERN Cc1ccc(C)c2c(=O)[nH]c(=O)oc12 238458310 573655837 /nfs/dbraw/zinc/65/58/37/573655837.db2.gz GOBRKNCRLWWCPA-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN C[C@H]1C[C@@H]1c1nccc(CO)n1 83810549 573655841 /nfs/dbraw/zinc/65/58/41/573655841.db2.gz MNODZCUMCYTNLO-XPUUQOCRSA-N 0 0 164.208 1.092 10 0 ADAERN OCc1cccc([C@H]2C[C@@H]2O)c1 259543221 573655857 /nfs/dbraw/zinc/65/58/57/573655857.db2.gz BXVPKRQTUOUPOT-ZJUUUORDSA-N 0 0 164.204 1.027 10 0 ADAERN O[C@H]1COC[C@@H]1C1CC2(CCC2)C1 717520375 573655865 /nfs/dbraw/zinc/65/58/65/573655865.db2.gz ACDSNWYKSIKHCI-ZJUUUORDSA-N 0 0 182.263 1.574 10 0 ADAERN CCCc1nc2c(C)cc(N)cn2n1 107812872 573655870 /nfs/dbraw/zinc/65/58/70/573655870.db2.gz JUKCGKYQSWPLRN-UHFFFAOYSA-N 0 0 190.250 1.572 10 0 ADAERN c1cc2c([nH]1)CCOC2 82411617 573655883 /nfs/dbraw/zinc/65/58/83/573655883.db2.gz SHSKIPABCDWHCZ-UHFFFAOYSA-N 0 0 123.155 1.087 10 0 ADAERN N[C@H](F)C1CCCC1 257841193 573655904 /nfs/dbraw/zinc/65/59/04/573655904.db2.gz OFHIQWWBFQNWPU-LURJTMIESA-N 0 0 117.167 1.431 10 0 ADAERN COc1c(O)cccc1[C@H](C)CO 257841161 573655922 /nfs/dbraw/zinc/65/59/22/573655922.db2.gz OCMIASRDBYZVNI-SSDOTTSWSA-N 0 0 182.219 1.497 10 0 ADAERN O=C1CC2(CCC2)NC(=O)N1C1CC1 86852742 573655946 /nfs/dbraw/zinc/65/59/46/573655946.db2.gz QRRGFNGHMIDZPB-UHFFFAOYSA-N 0 0 194.234 1.013 10 0 ADAERN C[C@H]1C[C@H]1c1nccc(C=O)n1 83810415 573655947 /nfs/dbraw/zinc/65/59/47/573655947.db2.gz YUHVYHTUFXPSOJ-POYBYMJQSA-N 0 0 162.192 1.413 10 0 ADAERN Oc1cccc(C2(F)CNC2)c1 258508634 573655953 /nfs/dbraw/zinc/65/59/53/573655953.db2.gz LCCBWGWDHHMLIE-UHFFFAOYSA-N 0 0 167.183 1.160 10 0 ADAERN CC(C)[C@H](C)[C@@H]1COC[C@@H]1O 687981184 573655954 /nfs/dbraw/zinc/65/59/54/573655954.db2.gz GGRVHNHTWUYYSU-CIUDSAMLSA-N 0 0 158.241 1.286 10 0 ADAERN Cc1ccc(CNC=S)c(N)n1 238471158 573655956 /nfs/dbraw/zinc/65/59/56/573655956.db2.gz LRJFHIJJNNPABO-UHFFFAOYSA-N 0 0 181.264 1.019 10 0 ADAERN CC(=O)c1nc([C@H]2C[C@@H]2C)no1 83810749 573655957 /nfs/dbraw/zinc/65/59/57/573655957.db2.gz TWOKCUFANNDFKQ-NJGYIYPDSA-N 0 0 166.180 1.396 10 0 ADAERN OCCc1nc([C@H]2CCCO2)cs1 258081074 573655960 /nfs/dbraw/zinc/65/59/60/573655960.db2.gz MJLBHCCBEUNHHC-MRVPVSSYSA-N 0 0 199.275 1.529 10 0 ADAERN Cc1ccc(-c2nc(N)no2)cc1N 83812072 573655990 /nfs/dbraw/zinc/65/59/90/573655990.db2.gz AZGXAFHNQOFAOF-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN Cc1ccc(N)c(-c2nc(N)no2)c1 83811954 573655997 /nfs/dbraw/zinc/65/59/97/573655997.db2.gz BUFDINZFUUAVCO-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN Cc1n[nH]c2c1CCC(=O)CC2 238470942 573656005 /nfs/dbraw/zinc/65/60/05/573656005.db2.gz IQIFBVKBXSWQLA-UHFFFAOYSA-N 0 0 164.208 1.166 10 0 ADAERN [NH3+][C@@H](/C=C/c1cccc(F)c1)C(=O)[O-] 257841288 573656025 /nfs/dbraw/zinc/65/60/25/573656025.db2.gz MGKZVALSTYSDAM-MOVJSRMASA-N 0 0 195.193 1.251 10 0 ADAERN CCCc1coc(CCCO)n1 259543333 573656043 /nfs/dbraw/zinc/65/60/43/573656043.db2.gz BZWSQIZCQMANRL-UHFFFAOYSA-N 0 0 169.224 1.552 10 0 ADAERN C[C@H](O)C[C@@H]1Cc2c(F)cccc2O1 258083679 573656049 /nfs/dbraw/zinc/65/60/49/573656049.db2.gz HPUBCCJOKJZBQQ-JGVFFNPUSA-N 0 0 196.221 1.900 10 0 ADAERN CCc1nc2c(N)cc(Cl)cn2n1 107813865 573656051 /nfs/dbraw/zinc/65/60/51/573656051.db2.gz XHWNKWZCPLWLBO-UHFFFAOYSA-N 0 0 196.641 1.527 10 0 ADAERN COc1cccc(N[C@@H](C)CO)c1F 690049045 573656055 /nfs/dbraw/zinc/65/60/55/573656055.db2.gz GQIRBCBRCWGIOY-ZETCQYMHSA-N 0 0 199.225 1.627 10 0 ADAERN Cc1cccc(-c2cnnc(C=O)n2)c1 257842055 573656056 /nfs/dbraw/zinc/65/60/56/573656056.db2.gz KKWIYDUGOUOLIA-UHFFFAOYSA-N 0 0 199.213 1.660 10 0 ADAERN O[C@@H]1CCn2c1nc1cccc(F)c12 259543256 573656057 /nfs/dbraw/zinc/65/60/57/573656057.db2.gz BYKOTHXGHZTIPK-MRVPVSSYSA-N 0 0 192.193 1.613 10 0 ADAERN CNc1ccc([C@H](C)O)cc1 107801940 573656065 /nfs/dbraw/zinc/65/60/65/573656065.db2.gz GCGXHXUYTMNBGJ-ZETCQYMHSA-N 0 0 151.209 1.782 10 0 ADAERN OC[C@@H]1c2ccccc2C[C@@H]2C[C@@H]21 258082348 573656067 /nfs/dbraw/zinc/65/60/67/573656067.db2.gz VSOXTTGNQKOFIM-ADEWGFFLSA-N 0 0 174.243 1.955 10 0 ADAERN C[C@H]1C[C@@H](Nc2ccccc2)C(=O)O1 238458455 573656082 /nfs/dbraw/zinc/65/60/82/573656082.db2.gz RFWIXKKAVJVFAA-WCBMZHEXSA-N 0 0 191.230 1.803 10 0 ADAERN CC(C)[C@@H](CO)Nc1ccc[nH]1 258853244 573656102 /nfs/dbraw/zinc/65/61/02/573656102.db2.gz NUZGJYZFSIXIIJ-MRVPVSSYSA-N 0 0 168.240 1.444 10 0 ADAERN Cn1ccc(NCC2=CCCOC2)n1 124815500 573656105 /nfs/dbraw/zinc/65/61/05/573656105.db2.gz FWXKACJFNVVMQH-UHFFFAOYSA-N 0 0 193.250 1.179 10 0 ADAERN CNc1nc([C@@H]2C[C@@H]2C)no1 83810375 573656116 /nfs/dbraw/zinc/65/61/16/573656116.db2.gz APCLGWYICAPIRT-CRCLSJGQSA-N 0 0 153.185 1.235 10 0 ADAERN CC(=O)c1ccnn1-c1ncco1 75619348 573656120 /nfs/dbraw/zinc/65/61/20/573656120.db2.gz HBZQGPQGKPQLDC-UHFFFAOYSA-N 0 0 177.163 1.063 10 0 ADAERN CCNc1nc([C@H]2C[C@@H]2C)no1 83810377 573656124 /nfs/dbraw/zinc/65/61/24/573656124.db2.gz TVYSNCICIGXVSU-WDSKDSINSA-N 0 0 167.212 1.625 10 0 ADAERN C[C@@H]1CC(=N)c2c(O)cc(O)cc2O1 238471282 573656125 /nfs/dbraw/zinc/65/61/25/573656125.db2.gz FTSGUAJBQXIDAA-RXMQYKEDSA-N 0 0 193.202 1.637 10 0 ADAERN CC(C)c1nc(N)cc2ncn(C)c12 257842113 573656134 /nfs/dbraw/zinc/65/61/34/573656134.db2.gz MMNDXOFMBXNTJQ-UHFFFAOYSA-N 0 0 190.250 1.674 10 0 ADAERN Nc1nocc1-c1ccc(O)cc1 257841706 573656144 /nfs/dbraw/zinc/65/61/44/573656144.db2.gz OJFDBYZJZLFMAM-UHFFFAOYSA-N 0 0 176.175 1.629 10 0 ADAERN OCC[C@H]1OCc2ccccc2O1 258081222 573656145 /nfs/dbraw/zinc/65/61/45/573656145.db2.gz IAPHECLSNYKBLG-JTQLQIEISA-N 0 0 180.203 1.304 10 0 ADAERN C[C@H]1C[C@H]1c1ncc(CO)cn1 83810555 573656165 /nfs/dbraw/zinc/65/61/65/573656165.db2.gz GEPZVCPCAZVYIM-POYBYMJQSA-N 0 0 164.208 1.092 10 0 ADAERN C[NH2+]Cc1ccnc([C@@H]2C[C@H]2C)n1 83810434 573656173 /nfs/dbraw/zinc/65/61/73/573656173.db2.gz IUQMWOPWWQGDJJ-VXNVDRBHSA-N 0 0 177.251 1.319 10 0 ADAERN CC(=O)c1ccnn1-c1cc(C)on1 75619362 573656191 /nfs/dbraw/zinc/65/61/91/573656191.db2.gz JZAJYAOMPVLFMR-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN Cc1cc(C=O)nc([C@H]2C[C@@H]2C)n1 83810417 573656196 /nfs/dbraw/zinc/65/61/96/573656196.db2.gz HVLVEHHNEOEQPU-RCOVLWMOSA-N 0 0 176.219 1.721 10 0 ADAERN CC(C)(C)[C@@H]1CCNO1 257841736 573656198 /nfs/dbraw/zinc/65/61/98/573656198.db2.gz OKJOIQIYUYBPAM-LURJTMIESA-N 0 0 129.203 1.326 10 0 ADAERN C[C@@H]1C[C@H]1c1nccc(C[NH3+])n1 83810430 573656202 /nfs/dbraw/zinc/65/62/02/573656202.db2.gz ANCPRVUVJKXUNN-HTRCEHHLSA-N 0 0 163.224 1.059 10 0 ADAERN C[C@@]12O[C@@H]1CCCCC2=O 238458352 573656206 /nfs/dbraw/zinc/65/62/06/573656206.db2.gz BRXXMCQEDPPHNB-SFYZADRCSA-N 0 0 140.182 1.287 10 0 ADAERN OCC1(Cc2cc[nH]c2)CCC1 259153663 573657030 /nfs/dbraw/zinc/65/70/30/573657030.db2.gz OFYFWKGQHKYJDC-UHFFFAOYSA-N 0 0 165.236 1.720 10 0 ADAERN C[C@](CO)(CC1COC1)c1ccco1 258508155 573656319 /nfs/dbraw/zinc/65/63/19/573656319.db2.gz FCSDXGWGCLSQJW-LLVKDONJSA-N 0 0 196.246 1.566 10 0 ADAERN Cc1c(N)cccc1-c1nc(N)no1 83812019 573656342 /nfs/dbraw/zinc/65/63/42/573656342.db2.gz NZSHMCSTSIGIBN-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN C[C@@H]1COC(c2ccccc2O)=N1 238458944 573656348 /nfs/dbraw/zinc/65/63/48/573656348.db2.gz KGISVLMJVUIWTL-SSDOTTSWSA-N 0 0 177.203 1.558 10 0 ADAERN COC(=O)[C@@H]1[C@H](C)[C@H]1c1cncs1 259542900 573656353 /nfs/dbraw/zinc/65/63/53/573656353.db2.gz GNPXILNZDDWZKU-MHSYXAOVSA-N 0 0 197.259 1.666 10 0 ADAERN Cc1ccc(CNC(N)=S)c(C)c1 238471088 573656356 /nfs/dbraw/zinc/65/63/56/573656356.db2.gz ZZMFHROCHUFKDL-UHFFFAOYSA-N 0 0 194.303 1.637 10 0 ADAERN CCc1c(Br)noc1N 257841213 573656357 /nfs/dbraw/zinc/65/63/57/573656357.db2.gz MECIIQIHKCFMJF-UHFFFAOYSA-N 0 0 191.028 1.582 10 0 ADAERN CC(C)c1nc(N)nc([C@@H]2C[C@H]2C)n1 83811066 573656364 /nfs/dbraw/zinc/65/63/64/573656364.db2.gz XRARRSUHOKQDGO-RNFRBKRXSA-N 0 0 192.266 1.701 10 0 ADAERN O=Cc1noc(C[C@H]2CCSC2)n1 258083742 573656379 /nfs/dbraw/zinc/65/63/79/573656379.db2.gz RASJKEBNJHHDJI-ZCFIWIBFSA-N 0 0 198.247 1.178 10 0 ADAERN OC[C@H]1CCSCC1(F)F 259543406 573656386 /nfs/dbraw/zinc/65/63/86/573656386.db2.gz BMLBLLRVELHJPM-RXMQYKEDSA-N 0 0 168.208 1.367 10 0 ADAERN CC1C[NH+](C2(CC(=O)[O-])CCC2)C1 86852753 573656388 /nfs/dbraw/zinc/65/63/88/573656388.db2.gz ZVCNRSFUAIAMKM-UHFFFAOYSA-N 0 0 183.251 1.336 10 0 ADAERN Nc1noc(-c2ccc(N)c(F)c2)n1 83812057 573656392 /nfs/dbraw/zinc/65/63/92/573656392.db2.gz AYYYGBIVMKDNOX-UHFFFAOYSA-N 0 0 194.169 1.040 10 0 ADAERN C[C@@]1(CO)CCC[C@@H]1F 257841623 573656409 /nfs/dbraw/zinc/65/64/09/573656409.db2.gz OGLMMRMSLMIBAL-BQBZGAKWSA-N 0 0 132.178 1.507 10 0 ADAERN C[C@@H]1C[C@@H]1c1nc(C=O)c[nH]1 83811080 573656413 /nfs/dbraw/zinc/65/64/13/573656413.db2.gz CITGSESYWWFQTQ-VDTYLAMSSA-N 0 0 150.181 1.346 10 0 ADAERN COc1ccc([C@@H](C)O)c(C=O)c1 258082384 573656414 /nfs/dbraw/zinc/65/64/14/573656414.db2.gz VUSVLNODNVCNBL-SSDOTTSWSA-N 0 0 180.203 1.561 10 0 ADAERN O=c1ccc(C[C@H]2CCCOC2)n[nH]1 259542565 573656425 /nfs/dbraw/zinc/65/64/25/573656425.db2.gz VDKPZISTLIVUBT-MRVPVSSYSA-N 0 0 194.234 1.151 10 0 ADAERN CC(=O)c1ccnn1-c1nc(C)co1 75619350 573656429 /nfs/dbraw/zinc/65/64/29/573656429.db2.gz JMTRGFYDDLBETL-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN Cc1c[nH]c2c(N)cc3c[nH]nc3c12 96910268 573656450 /nfs/dbraw/zinc/65/64/50/573656450.db2.gz WXVQFXPXLPHJAC-UHFFFAOYSA-N 0 0 186.218 1.935 10 0 ADAERN Cn1nc([C@@H]2CCCCS2)cc1N 257841314 573656458 /nfs/dbraw/zinc/65/64/58/573656458.db2.gz BRMNTAJAELPVMA-QMMMGPOBSA-N 0 0 197.307 1.961 10 0 ADAERN COc1c(CCON)ccc(C)c1C 258083331 573656461 /nfs/dbraw/zinc/65/64/61/573656461.db2.gz NIDISGUINULGFP-UHFFFAOYSA-N 0 0 195.262 1.745 10 0 ADAERN COC(=O)c1c[nH]c([C@@H]2C[C@H]2C)n1 83810310 573656466 /nfs/dbraw/zinc/65/64/66/573656466.db2.gz VYBHBKGUKCJARO-PHDIDXHHSA-N 0 0 180.207 1.320 10 0 ADAERN C[C@@H]1COC(c2ccc[nH]2)=N1 238458890 573656471 /nfs/dbraw/zinc/65/64/71/573656471.db2.gz WCJVURDOPBFCOJ-ZCFIWIBFSA-N 0 0 150.181 1.180 10 0 ADAERN Cc1cccc([C@@H]2CNNC(=O)O2)c1 257842138 573656472 /nfs/dbraw/zinc/65/64/72/573656472.db2.gz MNICTJNRPCVEGR-VIFPVBQESA-N 0 0 192.218 1.281 10 0 ADAERN CC(=O)c1nc([C@@H]2C[C@@H]2C)no1 83810751 573656474 /nfs/dbraw/zinc/65/64/74/573656474.db2.gz TWOKCUFANNDFKQ-UJURSFKZSA-N 0 0 166.180 1.396 10 0 ADAERN Cc1cccc(-c2nc(N)no2)c1N 83811918 573656480 /nfs/dbraw/zinc/65/64/80/573656480.db2.gz KMTGIZGECHIGOP-UHFFFAOYSA-N 0 0 190.206 1.209 10 0 ADAERN Cc1nc(Cl)nc2c1N[C@H](C)CN2 238458346 573656483 /nfs/dbraw/zinc/65/64/83/573656483.db2.gz IQUUNEPABVIXAV-SCSAIBSYSA-N 0 0 198.657 1.664 10 0 ADAERN Cc1nc([C@H]2C[C@@H]2C)ncc1[C@@H](C)O 83810561 573656487 /nfs/dbraw/zinc/65/64/87/573656487.db2.gz ZDYYVNMTCMVGTB-ZQARSLAVSA-N 0 0 192.262 1.962 10 0 ADAERN C[C@H]1CCC(C)(C)C[C@@H]1NC=O 717520174 573656489 /nfs/dbraw/zinc/65/64/89/573656489.db2.gz XQONODVSZAISEL-IUCAKERBSA-N 0 0 169.268 1.947 10 0 ADAERN C[C@H]1CO[C@@H](c2cccc(O)c2)N1 258509028 573656497 /nfs/dbraw/zinc/65/64/97/573656497.db2.gz MNSLGEFYSYODHO-XVKPBYJWSA-N 0 0 179.219 1.399 10 0 ADAERN O=C([O-])[C@H]1C[C@H](c2ccc(F)cc2)[NH2+]1 257841227 573656499 /nfs/dbraw/zinc/65/64/99/573656499.db2.gz MERRGZPMUWKTQV-RKDXNWHRSA-N 0 0 195.193 1.313 10 0 ADAERN Cc1ccc([S-])c(CC[NH3+])c1 238470913 573656501 /nfs/dbraw/zinc/65/65/01/573656501.db2.gz GSAPUIKECBIZRD-UHFFFAOYSA-N 0 0 167.277 1.785 10 0 ADAERN O=c1ccc(C[C@@H]2CCCOC2)n[nH]1 259542569 573656524 /nfs/dbraw/zinc/65/65/24/573656524.db2.gz VDKPZISTLIVUBT-QMMMGPOBSA-N 0 0 194.234 1.151 10 0 ADAERN C[C@](F)(CO)c1ccc2c(c1)OCC2 257841660 573656546 /nfs/dbraw/zinc/65/65/46/573656546.db2.gz OHFHKILQLRSDLV-NSHDSACASA-N 0 0 196.221 1.799 10 0 ADAERN CC(=O)O[C@@H](C)[C@H](C)C(C)=O 238458303 573656549 /nfs/dbraw/zinc/65/65/49/573656549.db2.gz XOOQSEXYFGIQLC-VDTYLAMSSA-N 0 0 158.197 1.163 10 0 ADAERN Nc1cc(CC2(O)CC2)ccc1F 259542804 573656550 /nfs/dbraw/zinc/65/65/50/573656550.db2.gz VHGUCVNQGLLTHU-UHFFFAOYSA-N 0 0 181.210 1.475 10 0 ADAERN C[C@@H](O)/C=C\c1ccc(O)cc1 218254611 573656551 /nfs/dbraw/zinc/65/65/51/573656551.db2.gz FOJHWRWBCJHEBS-YAJNLLPGSA-N 0 0 164.204 1.786 10 0 ADAERN C[C@@](O)(CC(N)=S)c1ccccc1 83811825 573656564 /nfs/dbraw/zinc/65/65/64/573656564.db2.gz RBHGJMQZVGJBTQ-SNVBAGLBSA-N 0 0 195.287 1.570 10 0 ADAERN Cc1c(C(F)(F)F)ccnc1CO 238458730 573656567 /nfs/dbraw/zinc/65/65/67/573656567.db2.gz 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/nfs/dbraw/zinc/65/66/19/573656619.db2.gz RQZGBEUXHPCAMD-UHFFFAOYSA-N 0 0 191.190 1.371 10 0 ADAERN CC(C)[C@H](C)[C@H]1COC[C@@H]1O 687981191 573656631 /nfs/dbraw/zinc/65/66/31/573656631.db2.gz GGRVHNHTWUYYSU-YIZRAAEISA-N 0 0 158.241 1.286 10 0 ADAERN NC(=S)CC1(O)CCCCC1 83811820 573656634 /nfs/dbraw/zinc/65/66/34/573656634.db2.gz SNLOKDCYXNPSGA-UHFFFAOYSA-N 0 0 173.281 1.358 10 0 ADAERN Cc1cc(CN(C)C[NH3+])ccc1F 258846434 573656635 /nfs/dbraw/zinc/65/66/35/573656635.db2.gz INXQGBZNDKWMGU-UHFFFAOYSA-N 0 0 182.242 1.482 10 0 ADAERN CCN(CC)C(=O)[C@H](CO)C(C)C 258848436 573656660 /nfs/dbraw/zinc/65/66/60/573656660.db2.gz XLWRVXLACBJIRI-SECBINFHSA-N 0 0 187.283 1.119 10 0 ADAERN Clc1c[nH]c([C@H]2CCOC2)n1 258506768 573656661 /nfs/dbraw/zinc/65/66/61/573656661.db2.gz KLRSQRXAOJUKMM-YFKPBYRVSA-N 0 0 172.615 1.567 10 0 ADAERN Cc1cccc(-n2nnc(C)c2N)c1 257841253 573656717 /nfs/dbraw/zinc/65/67/17/573656717.db2.gz MFHBDQDEQOHZNP-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN C[C@H]1C[C@@H]1c1nccc(C=O)n1 83810413 573656743 /nfs/dbraw/zinc/65/67/43/573656743.db2.gz YUHVYHTUFXPSOJ-XPUUQOCRSA-N 0 0 162.192 1.413 10 0 ADAERN C[C@@H]1C[C@@H]1c1ncc(CO)cn1 83810552 573656760 /nfs/dbraw/zinc/65/67/60/573656760.db2.gz GEPZVCPCAZVYIM-SVRRBLITSA-N 0 0 164.208 1.092 10 0 ADAERN CC(C)c1nc(N)nc([C@H]2C[C@H]2C)n1 83811064 573656779 /nfs/dbraw/zinc/65/67/79/573656779.db2.gz XRARRSUHOKQDGO-RQJHMYQMSA-N 0 0 192.266 1.701 10 0 ADAERN Cc1cc(O)c(F)c(C[C@H](C)O)c1 258083358 573656787 /nfs/dbraw/zinc/65/67/87/573656787.db2.gz NIMAPSMVNVMLBK-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN C[NH2+][C@H](c1ccccn1)[C@@H](C)C(=O)[O-] 259542893 573656809 /nfs/dbraw/zinc/65/68/09/573656809.db2.gz VJSOKTMKJOUZQG-APPZFPTMSA-N 0 0 194.234 1.063 10 0 ADAERN OC[C@@H]1c2ccccc2C[C@H]2C[C@@H]12 258082350 573656819 /nfs/dbraw/zinc/65/68/19/573656819.db2.gz VSOXTTGNQKOFIM-MVWJERBFSA-N 0 0 174.243 1.955 10 0 ADAERN CC(C)(C[C@@H]1CCCOC1)ON 259543872 573656822 /nfs/dbraw/zinc/65/68/22/573656822.db2.gz VPDIXULKOMUXSP-QMMMGPOBSA-N 0 0 173.256 1.472 10 0 ADAERN Cc1c(CO)ncc(C(F)F)c1F 238458441 573656829 /nfs/dbraw/zinc/65/68/29/573656829.db2.gz TUDLOJOYQGAMPJ-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C/C(=C\c1ccco1)[C@H](O)[C@H](C)O 238471061 573656834 /nfs/dbraw/zinc/65/68/34/573656834.db2.gz SYCQZBGORGOFHM-ANAVPXRGSA-N 0 0 182.219 1.425 10 0 ADAERN Cc1cc(F)c(F)c(CNO)c1 258082440 573656836 /nfs/dbraw/zinc/65/68/36/573656836.db2.gz VWPMFEHRAYNHQI-UHFFFAOYSA-N 0 0 173.162 1.752 10 0 ADAERN C[C@@H]1CNc2ccccc2N1C=O 238458166 573656843 /nfs/dbraw/zinc/65/68/43/573656843.db2.gz ZOVCOPFRPTZFST-MRVPVSSYSA-N 0 0 176.219 1.463 10 0 ADAERN C[C@@H]1C[C@@H](c2ccc(O)cc2)C(=O)O1 238471261 573656850 /nfs/dbraw/zinc/65/68/50/573656850.db2.gz RZDQTLUEKAFHHB-XCBNKYQSSA-N 0 0 192.214 1.811 10 0 ADAERN CC(=O)[C@H](C)c1nc([C@@H]2C[C@@H]2C)no1 83810779 573656857 /nfs/dbraw/zinc/65/68/57/573656857.db2.gz MKLQVCVLUHRPTF-VMHSAVOQSA-N 0 0 194.234 1.886 10 0 ADAERN COc1cccc2ccn(CCO)c12 107838034 573656872 /nfs/dbraw/zinc/65/68/72/573656872.db2.gz NJLBQQOQSOOMEP-UHFFFAOYSA-N 0 0 191.230 1.642 10 0 ADAERN NC(=S)[C@@H]1CCCCC[C@@H]1O 83811824 573656875 /nfs/dbraw/zinc/65/68/75/573656875.db2.gz QCCFNZNCHLHGJQ-RQJHMYQMSA-N 0 0 173.281 1.214 10 0 ADAERN CC(=O)c1oncc1C1CC1 257841097 573656889 /nfs/dbraw/zinc/65/68/89/573656889.db2.gz NYYLNORCYQCQBB-UHFFFAOYSA-N 0 0 151.165 1.755 10 0 ADAERN CC(=O)c1ccnn1Cc1ccco1 75619272 573656894 /nfs/dbraw/zinc/65/68/94/573656894.db2.gz XQNYANATRVDPQN-UHFFFAOYSA-N 0 0 190.202 1.727 10 0 ADAERN CCC[C@](C)(CO)CC1COC1 258508008 573656895 /nfs/dbraw/zinc/65/68/95/573656895.db2.gz FAGULDVFUQOEKR-JTQLQIEISA-N 0 0 172.268 1.822 10 0 ADAERN Cc1cccc(C[C@@H]2COC(=O)N2)c1 258082773 573656899 /nfs/dbraw/zinc/65/68/99/573656899.db2.gz BGYOQDDQXBITRC-SNVBAGLBSA-N 0 0 191.230 1.646 10 0 ADAERN CCNc1nc([C@@H]2C[C@@H]2C)no1 83810376 573656913 /nfs/dbraw/zinc/65/69/13/573656913.db2.gz TVYSNCICIGXVSU-NTSWFWBYSA-N 0 0 167.212 1.625 10 0 ADAERN Cc1cc(CO)nc([C@H]2C[C@@H]2C)n1 83810557 573656915 /nfs/dbraw/zinc/65/69/15/573656915.db2.gz HWWXWPGHPXPXSW-RCOVLWMOSA-N 0 0 178.235 1.401 10 0 ADAERN CC(C)(C)C(=O)COCC(F)F 130694456 573656916 /nfs/dbraw/zinc/65/69/16/573656916.db2.gz GPZCCVXFEJIPEQ-UHFFFAOYSA-N 0 0 180.194 1.883 10 0 ADAERN COc1ccc2c(c1)C[C@@H](C(C)=O)O2 258081832 573656919 /nfs/dbraw/zinc/65/69/19/573656919.db2.gz MWKPOMHJLDVNSU-NSHDSACASA-N 0 0 192.214 1.588 10 0 ADAERN CCc1nc(CCC(C)=O)[nH]c1C 258506974 573656923 /nfs/dbraw/zinc/65/69/23/573656923.db2.gz FQHASDKPHNIKTR-UHFFFAOYSA-N 0 0 180.251 1.802 10 0 ADAERN CO[C@@](C)(CO)Cc1ccc(O)cc1 257841300 573656927 /nfs/dbraw/zinc/65/69/27/573656927.db2.gz MGVHPMSDOKVKOK-LLVKDONJSA-N 0 0 196.246 1.332 10 0 ADAERN C[N@H+](C[C@H]1C[C@@H]1C(=O)[O-])C1CCCC1 258846424 573656936 /nfs/dbraw/zinc/65/69/36/573656936.db2.gz INWDTWDVRYKGGU-SCZZXKLOSA-N 0 0 197.278 1.582 10 0 ADAERN Cn1ccc(CNc2nccs2)n1 124819472 573656943 /nfs/dbraw/zinc/65/69/43/573656943.db2.gz YJPXPVMPIAZITD-UHFFFAOYSA-N 0 0 194.263 1.489 10 0 ADAERN Cc1ccc(C)c2[nH]c(C[NH3+])nc12 238458202 573656953 /nfs/dbraw/zinc/65/69/53/573656953.db2.gz DBWHMYADRXBJEV-UHFFFAOYSA-N 0 0 175.235 1.638 10 0 ADAERN CC(C)Cc1nc(N)cn1C 75620417 573656958 /nfs/dbraw/zinc/65/69/58/573656958.db2.gz OATDEFUXCDQIHM-UHFFFAOYSA-N 0 0 153.229 1.201 10 0 ADAERN C[C@@H](O)C[C@@H]1Cc2c(F)cccc2O1 258083677 573656967 /nfs/dbraw/zinc/65/69/67/573656967.db2.gz HPUBCCJOKJZBQQ-HTQZYQBOSA-N 0 0 196.221 1.900 10 0 ADAERN C[C@@H](O)Cc1cccc2oncc12 258082415 573656983 /nfs/dbraw/zinc/65/69/83/573656983.db2.gz VVYTUJNVCVRINC-SSDOTTSWSA-N 0 0 177.203 1.751 10 0 ADAERN Nc1noc(CNc2ccccc2)n1 83812011 573656991 /nfs/dbraw/zinc/65/69/91/573656991.db2.gz PUBSVMRTIYUKGC-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN C[C@H]1NC(=S)O[C@H]1c1ccncc1 238470971 573657001 /nfs/dbraw/zinc/65/70/01/573657001.db2.gz KXNILGFSTMYHFX-HTRCEHHLSA-N 0 0 194.259 1.416 10 0 ADAERN C[C@H]1C[C@H]1c1nc(N)nc(C2CC2)n1 83811071 573656294 /nfs/dbraw/zinc/65/62/94/573656294.db2.gz CWMPYJARCISUDY-CAHLUQPWSA-N 0 0 190.250 1.455 10 0 ADAERN C[C@@H]1C[C@H]2C(=O)CCC[C@@H]2O1 238475042 573664248 /nfs/dbraw/zinc/66/42/48/573664248.db2.gz PJMGEXVSRUUNGO-FJXKBIBVSA-N 0 0 154.209 1.533 10 0 ADAERN C[C@@]12O[C@]1(CO)Oc1ccccc12 238474330 573664277 /nfs/dbraw/zinc/66/42/77/573664277.db2.gz VNQSBFZSLIZURA-UWVGGRQHSA-N 0 0 178.187 1.013 10 0 ADAERN Cc1c(N)oc2c1C(=O)CCC2 75658329 573664278 /nfs/dbraw/zinc/66/42/78/573664278.db2.gz ZHMLSFWDNKILLE-UHFFFAOYSA-N 0 0 165.192 1.689 10 0 ADAERN COC(=O)[C@@H]1CC[C@@H]2CC[C@H]2C1 259617093 573664286 /nfs/dbraw/zinc/66/42/86/573664286.db2.gz NEOYVZHTRWIBND-XHNCKOQMSA-N 0 0 168.236 1.986 10 0 ADAERN CCCC(=O)[C@H]1CCC(=O)C1 258859576 573664316 /nfs/dbraw/zinc/66/43/16/573664316.db2.gz RDTAMFIZRPTQAN-ZETCQYMHSA-N 0 0 154.209 1.725 10 0 ADAERN Cc1cc(N[C@H](C)CCCO)n(C)n1 308665772 573664322 /nfs/dbraw/zinc/66/43/22/573664322.db2.gz SKNBHDLMSARUNU-MRVPVSSYSA-N 0 0 197.282 1.301 10 0 ADAERN Cc1ccc(C2([NH3+])CC2)cc1C(=O)[O-] 238475096 573664327 /nfs/dbraw/zinc/66/43/27/573664327.db2.gz LWOHWXAVATWNIW-UHFFFAOYSA-N 0 0 191.230 1.641 10 0 ADAERN CC(C)[C@@H](CO)C(=O)Nc1ccc[nH]1 258865284 573663577 /nfs/dbraw/zinc/66/35/77/573663577.db2.gz VYKBVBBBODDRKD-MRVPVSSYSA-N 0 0 196.250 1.218 10 0 ADAERN CC1(C)CCC[C@@]1([NH3+])CC(=O)[O-] 86869675 573663595 /nfs/dbraw/zinc/66/35/95/573663595.db2.gz FJKYXAUFKNZUGW-SECBINFHSA-N 0 0 171.240 1.369 10 0 ADAERN Nc1ccccc1C(=O)c1cccnc1 78885429 573663607 /nfs/dbraw/zinc/66/36/07/573663607.db2.gz KNZLZNHWLVEHCZ-UHFFFAOYSA-N 0 0 198.225 1.895 10 0 ADAERN CC1(C)CCC[C@@]12C[NH2+]C[C@@H]2C(=O)[O-] 86869210 573663612 /nfs/dbraw/zinc/66/36/12/573663612.db2.gz SMEFQPZLLRWXJL-KCJUWKMLSA-N 0 0 197.278 1.487 10 0 ADAERN CC1(C)CCc2[nH]nc(N)c21 86870343 573663631 /nfs/dbraw/zinc/66/36/31/573663631.db2.gz FGLOSMDMJPNUPE-UHFFFAOYSA-N 0 0 151.213 1.216 10 0 ADAERN O[C@H](Cc1ccco1)C[C@@H]1CCCO1 130713709 573663662 /nfs/dbraw/zinc/66/36/62/573663662.db2.gz JHVYMRHSGOFQAR-KOLCDFICSA-N 0 0 196.246 1.752 10 0 ADAERN Nc1oc2c(c1C1CC1)C(=O)CC2 75658108 573663663 /nfs/dbraw/zinc/66/36/63/573663663.db2.gz SDTJREMLMKIQRA-UHFFFAOYSA-N 0 0 177.203 1.868 10 0 ADAERN Cc1cc(N[C@@H](C)CCCO)n(C)n1 308665773 573663665 /nfs/dbraw/zinc/66/36/65/573663665.db2.gz SKNBHDLMSARUNU-QMMMGPOBSA-N 0 0 197.282 1.301 10 0 ADAERN CCOC(=O)[C@@]1(O)CCCC1(C)C 86868168 573663671 /nfs/dbraw/zinc/66/36/71/573663671.db2.gz BCERUEMAYHQWER-JTQLQIEISA-N 0 0 186.251 1.491 10 0 ADAERN CC(=O)CNC(=O)/C=C/C(C)(C)C 394379350 573663710 /nfs/dbraw/zinc/66/37/10/573663710.db2.gz OOEDWPSRUWPDCL-AATRIKPKSA-N 0 0 183.251 1.294 10 0 ADAERN C[N@@H+]1CCC[C@@H](CC/C=C/C(=O)[O-])C1 259154318 573663728 /nfs/dbraw/zinc/66/37/28/573663728.db2.gz FYVGCPMPTOTBDB-KFEJWOFMSA-N 0 0 197.278 1.749 10 0 ADAERN Cc1ccccc1[C@H](F)[C@@H]([NH3+])C(=O)[O-] 257846586 573663737 /nfs/dbraw/zinc/66/37/37/573663737.db2.gz NTQKVRRXLNPKLB-DTWKUNHWSA-N 0 0 197.209 1.418 10 0 ADAERN COC(=O)N(C)Cc1cc[nH]c1 258859314 573663751 /nfs/dbraw/zinc/66/37/51/573663751.db2.gz VHDKOKONCLXOGD-UHFFFAOYSA-N 0 0 168.196 1.213 10 0 ADAERN C[NH2+][C@@]1(CC(=O)[O-])CCCC1(C)C 86869897 573663786 /nfs/dbraw/zinc/66/37/86/573663786.db2.gz UWUHBTYIIAOYRU-SNVBAGLBSA-N 0 0 185.267 1.629 10 0 ADAERN COC(=O)Cc1coc2c1CCC2 259546006 573663805 /nfs/dbraw/zinc/66/38/05/573663805.db2.gz GWCKJHYPGJPFFC-UHFFFAOYSA-N 0 0 180.203 1.484 10 0 ADAERN COC(=O)Cc1c(SC)ccn1C 259545879 573663818 /nfs/dbraw/zinc/66/38/18/573663818.db2.gz GUUOVAKMRCXNQH-UHFFFAOYSA-N 0 0 199.275 1.463 10 0 ADAERN OC1CCC([C@@H](O)C(F)(F)F)CC1 144575755 573663850 /nfs/dbraw/zinc/66/38/50/573663850.db2.gz LZOWRTOCIZSDFA-KPGICGJXSA-N 0 0 198.184 1.461 10 0 ADAERN COC(=O)[C@@H](C(C)C)n1ccnc1C 259546563 573663867 /nfs/dbraw/zinc/66/38/67/573663867.db2.gz BGWAXSDHSHAGKG-SECBINFHSA-N 0 0 196.250 1.562 10 0 ADAERN O[C@@H]1O/C1=C\c1ccccc1 144580737 573663894 /nfs/dbraw/zinc/66/38/94/573663894.db2.gz XSHZCEMVXRQUFX-JGAIRUGNSA-N 0 0 148.161 1.376 10 0 ADAERN Cc1cn(C)c(-c2ccc(N)cc2)n1 107853015 573663904 /nfs/dbraw/zinc/66/39/04/573663904.db2.gz RCOXIPYVAJQYHF-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN CC1(C)CCC/C1=C1\CC(=O)NC1=O 86869571 573663943 /nfs/dbraw/zinc/66/39/43/573663943.db2.gz IEPWMODOLJWXAZ-FPLPWBNLSA-N 0 0 193.246 1.540 10 0 ADAERN CC1(C)CCC[C@]12CNC(=O)O2 86869965 573663960 /nfs/dbraw/zinc/66/39/60/573663960.db2.gz BVGGQFWBBPYKPD-VIFPVBQESA-N 0 0 169.224 1.675 10 0 ADAERN CCCC(=O)CCC(=O)OC 43368621 573663982 /nfs/dbraw/zinc/66/39/82/573663982.db2.gz KSMSPPXRMSLFKO-UHFFFAOYSA-N 0 0 158.197 1.309 10 0 ADAERN CN(C)c1cc(Cl)ccc1N 83824590 573663987 /nfs/dbraw/zinc/66/39/87/573663987.db2.gz RDROFMHXMLZWTK-UHFFFAOYSA-N 0 0 170.643 1.988 10 0 ADAERN O[C@@H](c1cccc(F)c1)c1ncc[nH]1 83824166 573663999 /nfs/dbraw/zinc/66/39/99/573663999.db2.gz XSSPHNZEUSPWMU-VIFPVBQESA-N 0 0 192.193 1.631 10 0 ADAERN O=C([O-])[C@H]1C[C@H]1C[NH2+]CCC1CCC1 258864909 573664000 /nfs/dbraw/zinc/66/40/00/573664000.db2.gz KKKLBLBMRMGFEC-UWVGGRQHSA-N 0 0 197.278 1.487 10 0 ADAERN COC(=O)N(C)CCC1CCC1 258860964 573664010 /nfs/dbraw/zinc/66/40/10/573664010.db2.gz VNFVQDJAVSRLOR-UHFFFAOYSA-N 0 0 171.240 1.875 10 0 ADAERN COC(=O)[C@@H](F)Cc1ccccc1O 257843964 573664025 /nfs/dbraw/zinc/66/40/25/573664025.db2.gz NCVRFOCXIFZOJE-QMMMGPOBSA-N 0 0 198.193 1.446 10 0 ADAERN CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)[O-] 308666367 573664049 /nfs/dbraw/zinc/66/40/49/573664049.db2.gz SRUPJNVOSOXDEJ-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1[nH]c(=O)ccc1-c1cccnc1 144592865 573664056 /nfs/dbraw/zinc/66/40/56/573664056.db2.gz MSRSSQSAQGIZBL-UHFFFAOYSA-N 0 0 186.214 1.745 10 0 ADAERN COC(=O)[C@H]1CCOc2scnc21 259546547 573664083 /nfs/dbraw/zinc/66/40/83/573664083.db2.gz BGLXBYKIPPVACN-YFKPBYRVSA-N 0 0 199.231 1.182 10 0 ADAERN CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)[O-] 308666368 573664096 /nfs/dbraw/zinc/66/40/96/573664096.db2.gz SRUPJNVOSOXDEJ-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN NOC[C@@H](F)C1CCCC1 259154526 573664115 /nfs/dbraw/zinc/66/41/15/573664115.db2.gz HBILQQVEGCSHSQ-SSDOTTSWSA-N 0 0 147.193 1.405 10 0 ADAERN C[C@H]1C[C@H](c2cccnc2)NC1=O 238474623 573664138 /nfs/dbraw/zinc/66/41/38/573664138.db2.gz CWPNYWQKWWRNQW-IONNQARKSA-N 0 0 176.219 1.279 10 0 ADAERN C[N@H+]1C[C@H]2CC[C@@H](C1)C2CCC(=O)[O-] 257844383 573664158 /nfs/dbraw/zinc/66/41/58/573664158.db2.gz CRYGJKVARSKOEQ-ULKQDVFKSA-N 0 0 197.278 1.439 10 0 ADAERN Cn1[nH]c(=O)cc1-c1cccc(F)c1 257844413 573664180 /nfs/dbraw/zinc/66/41/80/573664180.db2.gz NDJWYLNEXBRADW-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN COC(=O)[C@H](O)[C@H]1CCCC1(C)C 86869551 573664187 /nfs/dbraw/zinc/66/41/87/573664187.db2.gz ZVRPAGIGGSQRKZ-HTQZYQBOSA-N 0 0 186.251 1.347 10 0 ADAERN CC(=O)C[C@@H]1OCC[C@@H]1C 238474468 573664225 /nfs/dbraw/zinc/66/42/25/573664225.db2.gz HJBHDEONXJBNDZ-XPUUQOCRSA-N 0 0 142.198 1.391 10 0 ADAERN CC[C@](O)(CCC(C)(C)O)[C@H](C)O 238298807 573664234 /nfs/dbraw/zinc/66/42/34/573664234.db2.gz CQZVFXIZZJVQHE-WPRPVWTQSA-N 0 0 190.283 1.059 10 0 ADAERN CC1(C)CCC[C@@]12CNC(=O)C2 86870056 573668566 /nfs/dbraw/zinc/66/85/66/573668566.db2.gz XNLWJVGJPXJTQB-SNVBAGLBSA-N 0 0 167.252 1.703 10 0 ADAERN COc1cccc(CF)c1CON 258075647 573668570 /nfs/dbraw/zinc/66/85/70/573668570.db2.gz MOKHNPBFJQQNMJ-UHFFFAOYSA-N 0 0 185.198 1.555 10 0 ADAERN Cc1ccccc1CCNC(N)=S 83824308 573668602 /nfs/dbraw/zinc/66/86/02/573668602.db2.gz FFXKBOUIDOWFSD-UHFFFAOYSA-N 0 0 194.303 1.371 10 0 ADAERN CCC(CC)C(=O)CCC(=O)OC 43368562 573668604 /nfs/dbraw/zinc/66/86/04/573668604.db2.gz IJYKVTBRCQPRAD-UHFFFAOYSA-N 0 0 186.251 1.945 10 0 ADAERN C[C@@H](C(=O)[O-])[N@H+](C)[C@@H]1CCCC1(C)C 86869746 573668608 /nfs/dbraw/zinc/66/86/08/573668608.db2.gz KNVRWSFPWFLHEH-DTWKUNHWSA-N 0 0 199.294 1.970 10 0 ADAERN CC(=O)CCSCC(C)=O 107851999 573668615 /nfs/dbraw/zinc/66/86/15/573668615.db2.gz CQVROKGQGUSZDI-UHFFFAOYSA-N 0 0 160.238 1.288 10 0 ADAERN C[C@H](O)[C@@H]1CCCC[C@@H]1C(C)(C)O 238474645 573668636 /nfs/dbraw/zinc/66/86/36/573668636.db2.gz MUTDMJAPYVRYFV-GUBZILKMSA-N 0 0 186.295 1.945 10 0 ADAERN Cc1nc(C)c([C@H](C)O)o1 144570973 573668654 /nfs/dbraw/zinc/66/86/54/573668654.db2.gz KBJRAAYHBJDFIP-YFKPBYRVSA-N 0 0 141.170 1.345 10 0 ADAERN Cc1cc(N)nc(OC(C)C)n1 259617149 573668659 /nfs/dbraw/zinc/66/86/59/573668659.db2.gz DYDFXVJNRNADQB-UHFFFAOYSA-N 0 0 167.212 1.154 10 0 ADAERN CCOC(=O)c1cc2c(n1C)CCC2 144570058 573668687 /nfs/dbraw/zinc/66/86/87/573668687.db2.gz TWUNSAFIJVYFOX-UHFFFAOYSA-N 0 0 193.246 1.691 10 0 ADAERN Cc1ccc(CO)nc1C(F)F 238474382 573668711 /nfs/dbraw/zinc/66/87/11/573668711.db2.gz DQPVMSFYBPGMNL-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN COCCc1cccc([C@@H](C)O)c1 259547868 573668728 /nfs/dbraw/zinc/66/87/28/573668728.db2.gz VQBIWUXCSBHOBV-SECBINFHSA-N 0 0 180.247 1.929 10 0 ADAERN C[C@@H]1C[C@@H]2OCC[C@@]2(C)C1=O 238474681 573668765 /nfs/dbraw/zinc/66/87/65/573668765.db2.gz YHPDDASBJNIKHL-BKPPORCPSA-N 0 0 154.209 1.391 10 0 ADAERN C[C@]1(CCCO)CCC=C[C@@H]1O 238475142 573668792 /nfs/dbraw/zinc/66/87/92/573668792.db2.gz RIWXCXBMOGRHSW-VHSXEESVSA-N 0 0 170.252 1.476 10 0 ADAERN O=C1CCCc2sncc21 144550574 573668794 /nfs/dbraw/zinc/66/87/94/573668794.db2.gz DHKUQTIUQLTJRK-UHFFFAOYSA-N 0 0 153.206 1.662 10 0 ADAERN C[C@H]1CCC(=O)C[C@]1(C)[C@@H]1CO1 238474677 573668797 /nfs/dbraw/zinc/66/87/97/573668797.db2.gz SUNODKJWJLGIOW-HGNGGELXSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@]1(CCCO)CCC[C@@H]1O 238475230 573668872 /nfs/dbraw/zinc/66/88/72/573668872.db2.gz SIOSQWRANFCVIW-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN COC(=O)[C@H]1CCSC[C@H]1F 259546204 573668875 /nfs/dbraw/zinc/66/88/75/573668875.db2.gz BPSSEMSBBSMMBF-NTSWFWBYSA-N 0 0 178.228 1.251 10 0 ADAERN CN1CCC[C@H]1c1coc(N)n1 259546139 573668880 /nfs/dbraw/zinc/66/88/80/573668880.db2.gz CESAQTMMGARKIQ-ZETCQYMHSA-N 0 0 167.212 1.024 10 0 ADAERN CCOc1ccc(NCO)cc1C 258855801 573668897 /nfs/dbraw/zinc/66/88/97/573668897.db2.gz FAYRIGHFTGTKAP-UHFFFAOYSA-N 0 0 181.235 1.755 10 0 ADAERN Cc1ccc(CON)c(F)c1 238474781 573668902 /nfs/dbraw/zinc/66/89/02/573668902.db2.gz XBPZQNMFOOHUKU-UHFFFAOYSA-N 0 0 155.172 1.524 10 0 ADAERN C[C@H]1CCO[C@H]1CCCO 238474509 573668907 /nfs/dbraw/zinc/66/89/07/573668907.db2.gz UYDRKZHEBCZPKZ-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN COc1cc(F)cc(CCO)c1C 258075640 573668930 /nfs/dbraw/zinc/66/89/30/573668930.db2.gz MOGPFSJHPPHUJW-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN C[C@@H](CCCCO)Nc1ccnn1C 308667022 573668935 /nfs/dbraw/zinc/66/89/35/573668935.db2.gz SXHXLTDKAXDAMW-VIFPVBQESA-N 0 0 197.282 1.383 10 0 ADAERN C[C@H](CCCO)Nc1ccc(F)nc1 308662007 573668940 /nfs/dbraw/zinc/66/89/40/573668940.db2.gz QNHOVPIJACHDAK-MRVPVSSYSA-N 0 0 198.241 1.794 10 0 ADAERN Clc1cnnc([C@H]2CCCO2)c1 259545263 573668950 /nfs/dbraw/zinc/66/89/50/573668950.db2.gz VIWZTMLMVNXING-MRVPVSSYSA-N 0 0 184.626 1.982 10 0 ADAERN Cc1cc(CCC(N)=O)c(C)s1 238474992 573668966 /nfs/dbraw/zinc/66/89/66/573668966.db2.gz BYNJGVIWCKQGRX-UHFFFAOYSA-N 0 0 183.276 1.783 10 0 ADAERN Cc1cc(C)n2c3c(nc2n1)CCC3 107876589 573668975 /nfs/dbraw/zinc/66/89/75/573668975.db2.gz KTVSVAFFTCELSA-UHFFFAOYSA-N 0 0 187.246 1.835 10 0 ADAERN CC(=O)c1cc([C@H]2CCOC2)[nH]n1 259154218 573668981 /nfs/dbraw/zinc/66/89/81/573668981.db2.gz IAWWENWZJKOCPA-ZETCQYMHSA-N 0 0 180.207 1.116 10 0 ADAERN OC1CCC([C@H](O)C(F)(F)F)CC1 144575547 573669008 /nfs/dbraw/zinc/66/90/08/573669008.db2.gz LZOWRTOCIZSDFA-AHXFUIDQSA-N 0 0 198.184 1.461 10 0 ADAERN CN(C)c1ccc(CCCO)cc1F 258075708 573669020 /nfs/dbraw/zinc/66/90/20/573669020.db2.gz MQXBKPXCDWYEMB-UHFFFAOYSA-N 0 0 197.253 1.817 10 0 ADAERN CC(C)OC(=O)[C@@H](C)NC[C@H]1C[C@@H]1C 308662487 573669070 /nfs/dbraw/zinc/66/90/70/573669070.db2.gz QUJPVXYGIFZJDM-IVZWLZJFSA-N 0 0 199.294 1.572 10 0 ADAERN CN(CCO)c1ccc2[nH]ccc2c1 107857269 573669093 /nfs/dbraw/zinc/66/90/93/573669093.db2.gz VNQQWPZXMZEFIK-UHFFFAOYSA-N 0 0 190.246 1.596 10 0 ADAERN CC(C)[C@@H](CO)N(C)c1cc[nH]c1 258865446 573669099 /nfs/dbraw/zinc/66/90/99/573669099.db2.gz OUYVUSDGFQDFOG-SNVBAGLBSA-N 0 0 182.267 1.468 10 0 ADAERN Cc1cccc(N(C)C)c1CCON 259547800 573669107 /nfs/dbraw/zinc/66/91/07/573669107.db2.gz VPJHWRYOVWTJFH-UHFFFAOYSA-N 0 0 194.278 1.494 10 0 ADAERN c1cncc(CNCc2cocn2)c1 308662266 573669129 /nfs/dbraw/zinc/66/91/29/573669129.db2.gz QQHYPUUHLVMTKY-UHFFFAOYSA-N 0 0 189.218 1.359 10 0 ADAERN C(C[C@@H]1CCCO1)=C1C[NH2+]C1 86881862 573669158 /nfs/dbraw/zinc/66/91/58/573669158.db2.gz YXGQAQBVDXKSOK-VIFPVBQESA-N 0 0 153.225 1.085 10 0 ADAERN CCCc1nc(N)c(C)c(Cl)n1 83824881 573669197 /nfs/dbraw/zinc/66/91/97/573669197.db2.gz LDSYAYMKZOEMAB-UHFFFAOYSA-N 0 0 185.658 1.973 10 0 ADAERN CC1(C)CCC[C@H]1N1C[C@@H](O)CC1=O 86877996 573669202 /nfs/dbraw/zinc/66/92/02/573669202.db2.gz GKOBXIYBLJJVQV-DTWKUNHWSA-N 0 0 197.278 1.158 10 0 ADAERN C[C@H](CCCCO)Nc1ccnn1C 308667021 573669209 /nfs/dbraw/zinc/66/92/09/573669209.db2.gz SXHXLTDKAXDAMW-SECBINFHSA-N 0 0 197.282 1.383 10 0 ADAERN C=CC(=O)N[C@@H]1CCCC1(C)C 86875628 573669262 /nfs/dbraw/zinc/66/92/62/573669262.db2.gz ARZBUISIBIIZJC-MRVPVSSYSA-N 0 0 167.252 1.867 10 0 ADAERN CC1(C)CCC[C@@H]1N1C[C@H](O)CC1=O 86877988 573669274 /nfs/dbraw/zinc/66/92/74/573669274.db2.gz GKOBXIYBLJJVQV-BDAKNGLRSA-N 0 0 197.278 1.158 10 0 ADAERN CC(C)[N@@H+]1CCC=C([C@H](C)C(=O)[O-])C1 258079873 573679274 /nfs/dbraw/zinc/67/92/74/573679274.db2.gz MTNGCOBJQFEDFQ-VIFPVBQESA-N 0 0 197.278 1.748 10 0 ADAERN CCN1C[C@H](C2CCC2)NC1=O 259549482 573679285 /nfs/dbraw/zinc/67/92/85/573679285.db2.gz TZEBJTSWZDLSHI-MRVPVSSYSA-N 0 0 168.240 1.200 10 0 ADAERN CC(C)(ON)C1CCSCC1 259549551 573679301 /nfs/dbraw/zinc/67/93/01/573679301.db2.gz VZBWKVWSSVEHNC-UHFFFAOYSA-N 0 0 175.297 1.799 10 0 ADAERN C[C@@H]1C2CCC(CC2)[C@@]1([NH3+])C(=O)[O-] 238469566 573679306 /nfs/dbraw/zinc/67/93/06/573679306.db2.gz PDDPNRVYLNQHEC-NPDIDSPYSA-N 0 0 183.251 1.225 10 0 ADAERN COc1c(C)cc(CCON)cc1O 258090740 573679325 /nfs/dbraw/zinc/67/93/25/573679325.db2.gz NYIYWXLYIKWBHX-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN C[C@@H](O)[C@@H]1CNc2ccc(O)cc21 258079853 573679338 /nfs/dbraw/zinc/67/93/38/573679338.db2.gz MTJUOFFWSVUYRS-MUWHJKNJSA-N 0 0 179.219 1.282 10 0 ADAERN Cc1cc(O)ccc1CC1(O)CC1 258090369 573679347 /nfs/dbraw/zinc/67/93/47/573679347.db2.gz WTCZLIYSRGBSRG-UHFFFAOYSA-N 0 0 178.231 1.768 10 0 ADAERN CC/C(=C/c1cnn(C)c1)CO 211998470 573679380 /nfs/dbraw/zinc/67/93/80/573679380.db2.gz MLBKFLQONKQJIX-YWEYNIOJSA-N 0 0 166.224 1.206 10 0 ADAERN C[C@@H]1C2CCC(CC2)[C@]1([NH3+])C(=O)[O-] 238469619 573679386 /nfs/dbraw/zinc/67/93/86/573679386.db2.gz PDDPNRVYLNQHEC-NSDNXHHOSA-N 0 0 183.251 1.225 10 0 ADAERN C[C@@H](O)[C@H]1CNc2ccc(O)cc21 258079842 573679398 /nfs/dbraw/zinc/67/93/98/573679398.db2.gz MTJUOFFWSVUYRS-HZGVNTEJSA-N 0 0 179.219 1.282 10 0 ADAERN CC[C@H](O)C(=O)N(C(C)C)C(C)C 205485893 573679424 /nfs/dbraw/zinc/67/94/24/573679424.db2.gz QVFBKXYWFNLPQC-VIFPVBQESA-N 0 0 187.283 1.403 10 0 ADAERN C[C@@H]([NH3+])c1cc(F)c(O)c(C(=O)[O-])c1 258089969 573679435 /nfs/dbraw/zinc/67/94/35/573679435.db2.gz JPRZZWJYYUWKBQ-SCSAIBSYSA-N 0 0 199.181 1.249 10 0 ADAERN CCc1cc(O)cc(CCON)c1 258090384 573679444 /nfs/dbraw/zinc/67/94/44/573679444.db2.gz 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ADAERN Cc1ncc(CCCO)c(C)c1O 238469517 573679761 /nfs/dbraw/zinc/67/97/61/573679761.db2.gz HOYCUXWEFXKZIR-UHFFFAOYSA-N 0 0 181.235 1.329 10 0 ADAERN C[C@H]([NH3+])c1cc(F)c(O)c(C(=O)[O-])c1 258089966 573679776 /nfs/dbraw/zinc/67/97/76/573679776.db2.gz JPRZZWJYYUWKBQ-BYPYZUCNSA-N 0 0 199.181 1.249 10 0 ADAERN Cc1ccc([C@H]([NH3+])/C=C/C(=O)[O-])o1 259548447 573679806 /nfs/dbraw/zinc/67/98/06/573679806.db2.gz UMDHFGRNELCWLK-OHCKJTPYSA-N 0 0 181.191 1.229 10 0 ADAERN CC[C@@](C)(SCCO)C(C)=O 238300337 573679815 /nfs/dbraw/zinc/67/98/15/573679815.db2.gz ZYAJEOUZZNWZFF-MRVPVSSYSA-N 0 0 176.281 1.470 10 0 ADAERN Cc1cc(O)c(C=O)nc1C(F)F 238468980 573679818 /nfs/dbraw/zinc/67/98/18/573679818.db2.gz ZYTFEBXLEKZHHI-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN Cc1cc(=O)cc(C)n1C1CC(O)C1 86895635 573679849 /nfs/dbraw/zinc/67/98/49/573679849.db2.gz ZIPQEQVXFLOBDI-UHFFFAOYSA-N 0 0 193.246 1.161 10 0 ADAERN COC(=O)/C=C/N1C[C@@H](C)C[C@@H](C)C1 86897418 573679862 /nfs/dbraw/zinc/67/98/62/573679862.db2.gz 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573686766 /nfs/dbraw/zinc/68/67/66/573686766.db2.gz PWDVQHJMUNHHRG-KOLCDFICSA-N 0 0 184.279 1.964 10 0 ADAERN CC(=O)[C@H]1CCO[C@@]2(CCOC2)C1 86909097 573686774 /nfs/dbraw/zinc/68/67/74/573686774.db2.gz JPSHWRWLQHAWHC-UWVGGRQHSA-N 0 0 184.235 1.161 10 0 ADAERN NOCc1cccc2ccncc12 258093032 573686801 /nfs/dbraw/zinc/68/68/01/573686801.db2.gz WZIZAWCZXIXMOP-UHFFFAOYSA-N 0 0 174.203 1.625 10 0 ADAERN C[C@H](O)CCCCOCC(F)F 130756147 573696894 /nfs/dbraw/zinc/69/68/94/573696894.db2.gz DLNGOSIADHKFCJ-ZETCQYMHSA-N 0 0 182.210 1.819 10 0 ADAERN O[C@@H](CC1CCC1)CC1OCCO1 236513752 573696925 /nfs/dbraw/zinc/69/69/25/573696925.db2.gz QPSIQOVKWQKWRN-VIFPVBQESA-N 0 0 186.251 1.301 10 0 ADAERN O=c1oc2ccc(CCO)cc2s1 258085687 573696931 /nfs/dbraw/zinc/69/69/31/573696931.db2.gz NPVJEZRHKJKESO-UHFFFAOYSA-N 0 0 196.227 1.389 10 0 ADAERN CCCN(C)C(=O)c1cccnc1N 50701458 573696945 /nfs/dbraw/zinc/69/69/45/573696945.db2.gz GXKIXPKXCMLKFQ-UHFFFAOYSA-N 0 0 193.250 1.146 10 0 ADAERN C[C@H](CO)c1cccc2c[nH]nc12 258086294 573696962 /nfs/dbraw/zinc/69/69/62/573696962.db2.gz WEBSYIMCRQRDDM-SSDOTTSWSA-N 0 0 176.219 1.659 10 0 ADAERN C[C@H](CO)c1cccc2c1NC(=O)C2 258085703 573696968 /nfs/dbraw/zinc/69/69/68/573696968.db2.gz NQJCXRIISXHAOK-SSDOTTSWSA-N 0 0 191.230 1.277 10 0 ADAERN C[C@@H]1C[C@@H](CO)Cc2oc(CO)cc21 197469917 573696977 /nfs/dbraw/zinc/69/69/77/573696977.db2.gz QRZQTLLLUIUELH-HTQZYQBOSA-N 0 0 196.246 1.430 10 0 ADAERN C[C@@H]1Nc2c(O)cccc2N(C)C1=O 258415235 573696990 /nfs/dbraw/zinc/69/69/90/573696990.db2.gz DLUVDELLSPMOAZ-LURJTMIESA-N 0 0 192.218 1.169 10 0 ADAERN CC[C@H](CO)Nc1cncc(NC)c1 122123645 573696994 /nfs/dbraw/zinc/69/69/94/573696994.db2.gz XUDBPMCKZWBHRK-MRVPVSSYSA-N 0 0 195.266 1.306 10 0 ADAERN C[C@H]1Cc2cc(C=O)ccc2C(=O)N1 238481753 573697000 /nfs/dbraw/zinc/69/70/00/573697000.db2.gz SKIBHKHHTDXIMX-ZETCQYMHSA-N 0 0 189.214 1.174 10 0 ADAERN Cc1cc(O)cc2c1[C@@H]([NH3+])CO2 238480772 573697007 /nfs/dbraw/zinc/69/70/07/573697007.db2.gz CNTLQJXKWHRPSK-ZETCQYMHSA-N 0 0 165.192 1.093 10 0 ADAERN Cc1ccc([C@H]2COC(=O)N2)cc1 78980533 573697014 /nfs/dbraw/zinc/69/70/14/573697014.db2.gz QRSDKEKAXGYBGS-SECBINFHSA-N 0 0 177.203 1.776 10 0 ADAERN OCc1cc(-c2ccc(Cl)o2)n[nH]1 259168083 573697018 /nfs/dbraw/zinc/69/70/18/573697018.db2.gz IWXHARZOZPOTOB-UHFFFAOYSA-N 0 0 198.609 1.815 10 0 ADAERN Cc1ncc(N)c(C=O)c1C(F)F 238481196 573697034 /nfs/dbraw/zinc/69/70/34/573697034.db2.gz JMMOTACDLZIZGT-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1ncc(N)c(CO)c1C(F)F 238481382 573697059 /nfs/dbraw/zinc/69/70/59/573697059.db2.gz UAWBNYKKBZRTIF-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC1(C)C[C@@]2(COC(=O)N2)C(C)(C)O1 86928843 573697090 /nfs/dbraw/zinc/69/70/90/573697090.db2.gz YYWKDJVMQAGZCI-SNVBAGLBSA-N 0 0 199.250 1.443 10 0 ADAERN C[C@@H](O)[C@@H]1CC(C)(C)OC1(C)C 86928402 573697120 /nfs/dbraw/zinc/69/71/20/573697120.db2.gz VKJXVNDXLRMJDV-SFYZADRCSA-N 0 0 172.268 1.961 10 0 ADAERN NOCCc1cc(F)c(O)c(F)c1 258088009 573697122 /nfs/dbraw/zinc/69/71/22/573697122.db2.gz NSHBYWBSLKOREF-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+][C@@H]1CC12CC2 715330008 573697127 /nfs/dbraw/zinc/69/71/27/573697127.db2.gz PZQTXMAMJDDWCF-JGVFFNPUSA-N 0 0 183.251 1.382 10 0 ADAERN OCC1(c2nccs2)CC1 259558206 573697134 /nfs/dbraw/zinc/69/71/34/573697134.db2.gz SACVRULARKIYQM-UHFFFAOYSA-N 0 0 155.222 1.167 10 0 ADAERN C[Si](C)(C)C[C@@H]1C[C@@H]1CO 197469156 573697180 /nfs/dbraw/zinc/69/71/80/573697180.db2.gz AJEJKGNTNJVDLE-SFYZADRCSA-N 0 0 158.317 1.953 10 0 ADAERN OC[C@@H]1COc2cccc(Cl)c2C1 236513279 573697186 /nfs/dbraw/zinc/69/71/86/573697186.db2.gz NKSUTRLDAQLZKM-SSDOTTSWSA-N 0 0 198.649 1.883 10 0 ADAERN Brc1cc2oncc2cn1 237997668 573697202 /nfs/dbraw/zinc/69/72/02/573697202.db2.gz UCVWGFRFJLMRCH-UHFFFAOYSA-N 0 0 199.007 1.985 10 0 ADAERN CC1(C)OC(C)(C)c2n[nH]c(=O)cc21 86927203 573697207 /nfs/dbraw/zinc/69/72/07/573697207.db2.gz ZUYMUZRQLBUADH-UHFFFAOYSA-N 0 0 194.234 1.270 10 0 ADAERN C[C@H](O)C(=N)OC1CCCCC1 238481167 573697225 /nfs/dbraw/zinc/69/72/25/573697225.db2.gz IRNNXDNSHCDGGN-ZETCQYMHSA-N 0 0 171.240 1.694 10 0 ADAERN Cc1ccc(S[C@@H]([NH3+])C(=O)[O-])cc1 259167143 573697239 /nfs/dbraw/zinc/69/72/39/573697239.db2.gz HEBBIFZAWNNSMD-MRVPVSSYSA-N 0 0 197.259 1.457 10 0 ADAERN Cc1cc(O)ccc1C(O)=S 238481933 573697243 /nfs/dbraw/zinc/69/72/43/573697243.db2.gz ZUIHLUNHVLJMSL-UHFFFAOYSA-N 0 0 168.217 1.934 10 0 ADAERN CCC[C@H](O)COCC(F)F 130753627 573697249 /nfs/dbraw/zinc/69/72/49/573697249.db2.gz IOQBSOAXPUTYND-LURJTMIESA-N 0 0 168.183 1.429 10 0 ADAERN Cc1cncc(-c2n[nH]c(C)n2)c1 83892436 573697252 /nfs/dbraw/zinc/69/72/52/573697252.db2.gz ZFGLKCXTYDYWRB-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN NC(=O)Nc1ccc(C2(O)CC2)cc1 258088182 573697254 /nfs/dbraw/zinc/69/72/54/573697254.db2.gz NVEUTZZGDSQYJY-UHFFFAOYSA-N 0 0 192.218 1.159 10 0 ADAERN Cc1ccc(Cl)c(O)c(=O)c1 238480824 573697257 /nfs/dbraw/zinc/69/72/57/573697257.db2.gz AGKVUSNXVIDVEZ-UHFFFAOYSA-N 0 0 170.595 1.714 10 0 ADAERN COC(C)(C)C(=O)NCCC(F)F 393552301 573697258 /nfs/dbraw/zinc/69/72/58/573697258.db2.gz DDCINGPHMNHJOB-UHFFFAOYSA-N 0 0 195.209 1.183 10 0 ADAERN CO[C@H](C)C[C@H](NN)c1cc(C)co1 716108865 573697303 /nfs/dbraw/zinc/69/73/03/573697303.db2.gz HGVDKWLZUMVYAK-BDAKNGLRSA-N 0 0 198.266 1.517 10 0 ADAERN N#CNCC(C1CC1)C1CC1 83895095 573697316 /nfs/dbraw/zinc/69/73/16/573697316.db2.gz QEYZVMVAIVDKBZ-UHFFFAOYSA-N 0 0 150.225 1.493 10 0 ADAERN OC[C@]1(Cc2ccoc2)CCCOC1 236503856 573697360 /nfs/dbraw/zinc/69/73/60/573697360.db2.gz HHPCECVSXDGSIG-LLVKDONJSA-N 0 0 196.246 1.611 10 0 ADAERN Cc1cc(C2CCC2)nc(C=O)n1 259168168 573697373 /nfs/dbraw/zinc/69/73/73/573697373.db2.gz TYMBSLWBLYSQNQ-UHFFFAOYSA-N 0 0 176.219 1.865 10 0 ADAERN Cc1cc(C(C)C)nc(C(N)=O)n1 259168183 573697376 /nfs/dbraw/zinc/69/73/76/573697376.db2.gz TYSUPCHSAZADPF-UHFFFAOYSA-N 0 0 179.223 1.007 10 0 ADAERN Cc1ccccc1Nc1nnnn1C 238481930 573697390 /nfs/dbraw/zinc/69/73/90/573697390.db2.gz UIPUBUIFLNXNFA-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN COCCOc1c[nH]c(=S)cn1 215655434 573697394 /nfs/dbraw/zinc/69/73/94/573697394.db2.gz PKPGWQYIVDWJOJ-UHFFFAOYSA-N 0 0 186.236 1.164 10 0 ADAERN CCNc1cncc(NC[C@@H](C)O)c1 122124859 573697421 /nfs/dbraw/zinc/69/74/21/573697421.db2.gz HHLBBGGNHIGOFZ-MRVPVSSYSA-N 0 0 195.266 1.306 10 0 ADAERN Nc1cncnc1N[C@@H]1CC=CCC1 86926372 573697424 /nfs/dbraw/zinc/69/74/24/573697424.db2.gz JZJWMQNJHNIFFM-MRVPVSSYSA-N 0 0 190.250 1.579 10 0 ADAERN CC[C@@H](/C=C/CCCO)CO 238310933 573697428 /nfs/dbraw/zinc/69/74/28/573697428.db2.gz VUSFFRKNJNYASV-DNQSNQRASA-N 0 0 158.241 1.334 10 0 ADAERN CC1(C)OC(C)(C)c2sc(=O)[nH]c21 86927183 573697431 /nfs/dbraw/zinc/69/74/31/573697431.db2.gz OAMATTLOANUSNV-UHFFFAOYSA-N 0 0 199.275 1.937 10 0 ADAERN Cc1cncc(-c2nc(N)ns2)c1 83892781 573697436 /nfs/dbraw/zinc/69/74/36/573697436.db2.gz POYSYZYZEJYKKB-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN O=C1N[C@H](Cc2ccccc2F)CO1 258086442 573697439 /nfs/dbraw/zinc/69/74/39/573697439.db2.gz BLBWGOQIHIARHT-MRVPVSSYSA-N 0 0 195.193 1.477 10 0 ADAERN C/C=C/C1=C(C)[C@@H](C)NC(=S)N1O 237997249 573697440 /nfs/dbraw/zinc/69/74/40/573697440.db2.gz NPGKAQDGLAHPHP-SMMXGFFBSA-N 0 0 198.291 1.804 10 0 ADAERN O=C(c1ccccn1)C1(CO)CCC1 259171661 573697461 /nfs/dbraw/zinc/69/74/61/573697461.db2.gz PPPSOXUPYCKLEC-UHFFFAOYSA-N 0 0 191.230 1.427 10 0 ADAERN C[C@H]1CSC(NCCC2CC2)=[NH+]1 83911710 573697464 /nfs/dbraw/zinc/69/74/64/573697464.db2.gz SZPUHQNTBAFSAC-ZETCQYMHSA-N 0 0 184.308 1.867 10 0 ADAERN C/C=C/CC[NH2+]Cc1ccc(CO)o1 126845957 573697488 /nfs/dbraw/zinc/69/74/88/573697488.db2.gz INIMMJRNQATXEK-NSCUHMNNSA-N 0 0 195.262 1.828 10 0 ADAERN CC[C@H](C)OCn1cnc(CO)c1 393551421 573697499 /nfs/dbraw/zinc/69/74/99/573697499.db2.gz FWLINOJRULTYGH-QMMMGPOBSA-N 0 0 184.239 1.148 10 0 ADAERN CC1=C(Cl)C=C[C@H](C)C(=O)N1 197479381 573697531 /nfs/dbraw/zinc/69/75/31/573697531.db2.gz RASVUGPKXNVUNH-YFKPBYRVSA-N 0 0 171.627 1.779 10 0 ADAERN CO[C@@H](C)C[C@H](NN)c1cc(C)co1 716108870 573697538 /nfs/dbraw/zinc/69/75/38/573697538.db2.gz HGVDKWLZUMVYAK-IUCAKERBSA-N 0 0 198.266 1.517 10 0 ADAERN C[C@H]1Cc2cccc(C[C@@H](C)O)c2N1 258086606 573697539 /nfs/dbraw/zinc/69/75/39/573697539.db2.gz NEOUYFYIFZHVSI-DTWKUNHWSA-N 0 0 191.274 1.966 10 0 ADAERN OCCSCOCC1CC1 236490928 573697543 /nfs/dbraw/zinc/69/75/43/573697543.db2.gz IXOWZEVFQFAFFK-UHFFFAOYSA-N 0 0 162.254 1.096 10 0 ADAERN COCc1ccc(C[C@H](C)O)cc1 258086385 573697545 /nfs/dbraw/zinc/69/75/45/573697545.db2.gz WEXVQEQEIDODGR-VIFPVBQESA-N 0 0 180.247 1.756 10 0 ADAERN C[C@@H]1CCCC(C)(C)[C@@H]1C(N)=O 224562374 573697557 /nfs/dbraw/zinc/69/75/57/573697557.db2.gz GDLXVCBSBYSEGS-SFYZADRCSA-N 0 0 169.268 1.934 10 0 ADAERN C=CC(=O)NCCC1CC1 83894042 573697575 /nfs/dbraw/zinc/69/75/75/573697575.db2.gz JQTRCJOLULNUNP-UHFFFAOYSA-N 0 0 139.198 1.089 10 0 ADAERN C[C@@]1(c2cnc(CN)o2)CCCOC1 257847931 573697616 /nfs/dbraw/zinc/69/76/16/573697616.db2.gz DGMCCYDXWSWSFT-SNVBAGLBSA-N 0 0 196.250 1.201 10 0 ADAERN CC[C@H](F)[C@H](C)O 257848414 573697629 /nfs/dbraw/zinc/69/76/29/573697629.db2.gz QWKGTMOLADCCAC-WHFBIAKZSA-N 0 0 106.140 1.115 10 0 ADAERN CNCC(F)(F)c1ccc(O)cc1 257848423 573697646 /nfs/dbraw/zinc/69/76/46/573697646.db2.gz QXRKIMSGDFHANJ-UHFFFAOYSA-N 0 0 187.189 1.703 10 0 ADAERN C[C@H](CO)c1ccc2c(c1)COC2 258086552 573697661 /nfs/dbraw/zinc/69/76/61/573697661.db2.gz WIYHESNAKWPUHH-MRVPVSSYSA-N 0 0 178.231 1.813 10 0 ADAERN CC(C)[C@@H](C)CNc1ncncc1N 86926224 573698390 /nfs/dbraw/zinc/69/83/90/573698390.db2.gz QFGJWBJGEXPWBU-QMMMGPOBSA-N 0 0 194.282 1.763 10 0 ADAERN OC[C@@H]1CCN2c3ccccc3C[C@@H]12 257848964 573697668 /nfs/dbraw/zinc/69/76/68/573697668.db2.gz OHEVPYWPSCZXES-JQWIXIFHSA-N 0 0 189.258 1.430 10 0 ADAERN Nc1cc(N)c(=O)[nH]c1C1CCCC1 257848937 573697675 /nfs/dbraw/zinc/69/76/75/573697675.db2.gz OFPNKLNCPPPZSB-UHFFFAOYSA-N 0 0 193.250 1.609 10 0 ADAERN Cc1ccc(S[C@H]([NH3+])C(=O)[O-])cc1 259167146 573697686 /nfs/dbraw/zinc/69/76/86/573697686.db2.gz HEBBIFZAWNNSMD-QMMMGPOBSA-N 0 0 197.259 1.457 10 0 ADAERN Cc1cc(F)c(CCO)cc1C 258086539 573697688 /nfs/dbraw/zinc/69/76/88/573697688.db2.gz WIPMRUIIWKOQDW-UHFFFAOYSA-N 0 0 168.211 1.977 10 0 ADAERN CCCN(C)c1cncc(N)c1 122101916 573697707 /nfs/dbraw/zinc/69/77/07/573697707.db2.gz NUTJZYUQKXHLSQ-UHFFFAOYSA-N 0 0 165.240 1.510 10 0 ADAERN C[C@H](C[C@@H]([NH3+])C(C)(C)C)C(=O)[O-] 259171391 573697708 /nfs/dbraw/zinc/69/77/08/573697708.db2.gz DYNXZQRLPZGOQY-RNFRBKRXSA-N 0 0 173.256 1.471 10 0 ADAERN CC1=CC(=O)N(CCC2CC2)C1=O 83895269 573697711 /nfs/dbraw/zinc/69/77/11/573697711.db2.gz FPPMGIPNWXHKJO-UHFFFAOYSA-N 0 0 179.219 1.102 10 0 ADAERN OC[C@]1(c2cccc(F)c2)CCO1 258415046 573698408 /nfs/dbraw/zinc/69/84/08/573698408.db2.gz CGJLTEFKLYTWBP-JTQLQIEISA-N 0 0 182.194 1.434 10 0 ADAERN C[C@]1(Cl)CCCC(=O)[C@@H]1O 238482474 573698416 /nfs/dbraw/zinc/69/84/16/573698416.db2.gz XRMXIWFHOXAQHZ-BQBZGAKWSA-N 0 0 162.616 1.098 10 0 ADAERN O=C(NCCF)C1(C(F)(F)F)CC1 393550967 573697730 /nfs/dbraw/zinc/69/77/30/573697730.db2.gz FIAGUENGCYURSF-UHFFFAOYSA-N 0 0 199.147 1.415 10 0 ADAERN NOCc1cccc2[nH]ccc12 258086577 573697734 /nfs/dbraw/zinc/69/77/34/573697734.db2.gz WJTLKJJCJDTRAC-UHFFFAOYSA-N 0 0 162.192 1.558 10 0 ADAERN C[C@H](C[C@H]([NH3+])C(C)(C)C)C(=O)[O-] 259171393 573697775 /nfs/dbraw/zinc/69/77/75/573697775.db2.gz DYNXZQRLPZGOQY-RQJHMYQMSA-N 0 0 173.256 1.471 10 0 ADAERN C[C@@H]1OC(C)(C)OC[C@H]1CCO 197470295 573697783 /nfs/dbraw/zinc/69/77/83/573697783.db2.gz HLAKWBTVPSFVKH-JGVFFNPUSA-N 0 0 174.240 1.156 10 0 ADAERN NOCc1cc2ccc(O)cc2s1 258086250 573697785 /nfs/dbraw/zinc/69/77/85/573697785.db2.gz HTGMSBFUTGLBMC-UHFFFAOYSA-N 0 0 195.243 1.997 10 0 ADAERN COc1nccc(C2CCC2)n1 259168329 573697791 /nfs/dbraw/zinc/69/77/91/573697791.db2.gz UBJRCMXMCKSWFA-UHFFFAOYSA-N 0 0 164.208 1.753 10 0 ADAERN Nc1ccc(NCCC2CC2)cn1 83893601 573697794 /nfs/dbraw/zinc/69/77/94/573697794.db2.gz UZUGORVLZVQWBQ-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN Cc1cnc2c(c1)O[C@@H](C)C(=O)N2 259171341 573697811 /nfs/dbraw/zinc/69/78/11/573697811.db2.gz KWJMXRKXZSCEBM-LURJTMIESA-N 0 0 178.191 1.109 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](/C=C\CC(=O)[O-])C1 258088051 573697812 /nfs/dbraw/zinc/69/78/12/573697812.db2.gz GGTCYWUUWDAITF-XOULXFPDSA-N 0 0 197.278 1.748 10 0 ADAERN [NH3+]Cc1n[nH]cc1-c1cccc(O)c1 257848352 573697850 /nfs/dbraw/zinc/69/78/50/573697850.db2.gz QQCFMHOOGWWDNU-UHFFFAOYSA-N 0 0 189.218 1.241 10 0 ADAERN C[C@H](CO)c1cc(O)ccc1F 258088439 573697872 /nfs/dbraw/zinc/69/78/72/573697872.db2.gz WNZNAAXDKAXYQZ-ZCFIWIBFSA-N 0 0 170.183 1.627 10 0 ADAERN OC[C@]1(C2CCCC2)CCCOC1 236502444 573697880 /nfs/dbraw/zinc/69/78/80/573697880.db2.gz PMEGBDYXAGMRHF-LLVKDONJSA-N 0 0 184.279 1.966 10 0 ADAERN Cc1cc(O)c(F)c(CNO)c1 258086359 573697881 /nfs/dbraw/zinc/69/78/81/573697881.db2.gz WEQCSGCLONLWHU-UHFFFAOYSA-N 0 0 171.171 1.319 10 0 ADAERN CC/C(=C/[C@@H]1C[C@H]1C)CO 642817996 573697908 /nfs/dbraw/zinc/69/79/08/573697908.db2.gz JFYQRIDNGKXKSP-BVQMJAIZSA-N 0 0 140.226 1.971 10 0 ADAERN OC[C@H](O)c1cc(F)c(F)cc1F 236501308 573697912 /nfs/dbraw/zinc/69/79/12/573697912.db2.gz ZUBDUTQSHUHHTE-QMMMGPOBSA-N 0 0 192.136 1.130 10 0 ADAERN CC=CC1=NC(=S)N[C@@H](C)[C@@H]1C 237998389 573697919 /nfs/dbraw/zinc/69/79/19/573697919.db2.gz DNLZCSYDSPUQTC-UGLWGPHMSA-N 0 0 182.292 1.916 10 0 ADAERN C[C@@H]1CN(c2ncncc2N)C[C@@H]1C 86926442 573697935 /nfs/dbraw/zinc/69/79/35/573697935.db2.gz BRAQWFXDIIMAPU-OCAPTIKFSA-N 0 0 192.266 1.151 10 0 ADAERN CC(C)[C@H](C)CNc1ncncc1N 86926226 573697957 /nfs/dbraw/zinc/69/79/57/573697957.db2.gz QFGJWBJGEXPWBU-MRVPVSSYSA-N 0 0 194.282 1.763 10 0 ADAERN Cc1cc(C[C@@H](NN)C2CC2)cs1 393551397 573697974 /nfs/dbraw/zinc/69/79/74/573697974.db2.gz RMKQSZUUJFWTPN-SNVBAGLBSA-N 0 0 196.319 1.841 10 0 ADAERN OCCCc1ncc2c(n1)CSC2 257848969 573697975 /nfs/dbraw/zinc/69/79/75/573697975.db2.gz OHRVTBBTSURDKA-UHFFFAOYSA-N 0 0 196.275 1.148 10 0 ADAERN CCc1cc(NCO)ccc1OC 258885770 573697982 /nfs/dbraw/zinc/69/79/82/573697982.db2.gz IPBUQVXEHJXMNF-UHFFFAOYSA-N 0 0 181.235 1.619 10 0 ADAERN CONCc1ccc(OC2CC2)cc1 258085643 573697993 /nfs/dbraw/zinc/69/79/93/573697993.db2.gz NPGYVHCESCGGND-UHFFFAOYSA-N 0 0 193.246 1.879 10 0 ADAERN COC(=O)C1(NCC2CCC2)CC1 308425143 573698003 /nfs/dbraw/zinc/69/80/03/573698003.db2.gz QRLOKPYKGIJRLG-UHFFFAOYSA-N 0 0 183.251 1.082 10 0 ADAERN CC[C@H](O)[C@@H](C)OCC(F)F 130758728 573698015 /nfs/dbraw/zinc/69/80/15/573698015.db2.gz QPCSIUUYBHVPSK-RITPCOANSA-N 0 0 168.183 1.428 10 0 ADAERN Cc1ccccc1OC(=O)NC(N)=O 238482118 573698048 /nfs/dbraw/zinc/69/80/48/573698048.db2.gz KTSLCCDEXLBQTI-UHFFFAOYSA-N 0 0 194.190 1.162 10 0 ADAERN C[C@]12CCC(=O)C[C@H]1C2 197468023 573698056 /nfs/dbraw/zinc/69/80/56/573698056.db2.gz NLXHGQIWPXTKRV-POYBYMJQSA-N 0 0 124.183 1.766 10 0 ADAERN CC[C@@H]1CC(=O)N(c2ccccc2)N1 257848117 573698065 /nfs/dbraw/zinc/69/80/65/573698065.db2.gz OECHPLYFRZJWKU-SECBINFHSA-N 0 0 190.246 1.707 10 0 ADAERN CCc1nc(-c2cncc(C)c2)n[nH]1 83892437 573698083 /nfs/dbraw/zinc/69/80/83/573698083.db2.gz ZVYUFFXGTFBJOY-UHFFFAOYSA-N 0 0 188.234 1.738 10 0 ADAERN C[C@](Cl)(CO)C[C@H]1CCCCO1 238482219 573698094 /nfs/dbraw/zinc/69/80/94/573698094.db2.gz MUNDMDNAHVBEDB-RKDXNWHRSA-N 0 0 192.686 1.935 10 0 ADAERN CO[C@@H](C)C[C@@H](NN)c1cc(C)co1 716108868 573698102 /nfs/dbraw/zinc/69/81/02/573698102.db2.gz HGVDKWLZUMVYAK-DTWKUNHWSA-N 0 0 198.266 1.517 10 0 ADAERN CC[C@H]1CC(=O)N(c2ccccc2)N1 257848119 573698105 /nfs/dbraw/zinc/69/81/05/573698105.db2.gz OECHPLYFRZJWKU-VIFPVBQESA-N 0 0 190.246 1.707 10 0 ADAERN CC(=O)[C@H](C)[C@H](C)n1ccnn1 238483352 573698109 /nfs/dbraw/zinc/69/81/09/573698109.db2.gz QFMGBBYVKQZFQH-RQJHMYQMSA-N 0 0 167.212 1.064 10 0 ADAERN OC[C@]1(C2CCC2)CCCOC1 236502432 573698120 /nfs/dbraw/zinc/69/81/20/573698120.db2.gz FFIMHUUEBGODPG-SNVBAGLBSA-N 0 0 170.252 1.576 10 0 ADAERN O=C1N[C@@H](Cc2ccccc2F)CO1 258086445 573698121 /nfs/dbraw/zinc/69/81/21/573698121.db2.gz BLBWGOQIHIARHT-QMMMGPOBSA-N 0 0 195.193 1.477 10 0 ADAERN C[C@H]1Nc2c(O)cccc2N(C)C1=O 258415240 573698137 /nfs/dbraw/zinc/69/81/37/573698137.db2.gz DLUVDELLSPMOAZ-ZCFIWIBFSA-N 0 0 192.218 1.169 10 0 ADAERN C[C@H](O)[C@H](C)SC(=O)N(C)C 238482725 573698139 /nfs/dbraw/zinc/69/81/39/573698139.db2.gz NVBJPPISWFZGDD-WDSKDSINSA-N 0 0 177.269 1.171 10 0 ADAERN C[C@]1(c2cnc(CN)o2)CCCOC1 257847930 573698140 /nfs/dbraw/zinc/69/81/40/573698140.db2.gz DGMCCYDXWSWSFT-JTQLQIEISA-N 0 0 196.250 1.201 10 0 ADAERN Oc1ccc2nc(C3CC3)cn2c1 258087886 573698143 /nfs/dbraw/zinc/69/81/43/573698143.db2.gz XCXFTZKTPNVSJX-UHFFFAOYSA-N 0 0 174.203 1.917 10 0 ADAERN C[C@H](CCC(=O)[O-])[NH2+][C@H]1CC12CC2 715330015 573698144 /nfs/dbraw/zinc/69/81/44/573698144.db2.gz PZQTXMAMJDDWCF-SFYZADRCSA-N 0 0 183.251 1.382 10 0 ADAERN C[C@@]1(c2ccc(N)cc2)CNC(=O)O1 257848022 573698164 /nfs/dbraw/zinc/69/81/64/573698164.db2.gz OBTOJMKZAVOGPL-JTQLQIEISA-N 0 0 192.218 1.224 10 0 ADAERN O=c1ccncn1C[C@@H]1CC=CCC1 402315662 573698167 /nfs/dbraw/zinc/69/81/67/573698167.db2.gz DFDGMYWUZHILAM-SNVBAGLBSA-N 0 0 190.246 1.600 10 0 ADAERN OCC1=Cc2cc(F)ccc2OC1 236491497 573698171 /nfs/dbraw/zinc/69/81/71/573698171.db2.gz ACORHBXQKJHYRM-UHFFFAOYSA-N 0 0 180.178 1.594 10 0 ADAERN C[C@@H](CO)c1cccc2c[nH]nc12 258086298 573698187 /nfs/dbraw/zinc/69/81/87/573698187.db2.gz WEBSYIMCRQRDDM-ZETCQYMHSA-N 0 0 176.219 1.659 10 0 ADAERN Cc1c(CO)ccc2c1O[C@@H](C)C2 238483168 573698194 /nfs/dbraw/zinc/69/81/94/573698194.db2.gz WJAFOZJQCNUGNP-ZETCQYMHSA-N 0 0 178.231 1.811 10 0 ADAERN Nc1c[nH]c(C(=O)NCCC2CC2)c1 83893253 573698208 /nfs/dbraw/zinc/69/82/08/573698208.db2.gz XMPRBHMXHOMMJN-UHFFFAOYSA-N 0 0 193.250 1.127 10 0 ADAERN O=c1nc(Cc2ccccc2O)o[nH]1 258088395 573698212 /nfs/dbraw/zinc/69/82/12/573698212.db2.gz RKKZOPGYHKRRQH-UHFFFAOYSA-N 0 0 192.174 1.072 10 0 ADAERN COc1cnccc1C(C)(C)O 259165786 573698218 /nfs/dbraw/zinc/69/82/18/573698218.db2.gz HPWQZMQBFKTCMM-UHFFFAOYSA-N 0 0 167.208 1.318 10 0 ADAERN CSCCNC(=O)/C=C\C1CCC1 393550633 573698219 /nfs/dbraw/zinc/69/82/19/573698219.db2.gz XSIVBWZDAUYDSM-WAYWQWQTSA-N 0 0 199.319 1.822 10 0 ADAERN Nc1cccnc1NCCC1CC1 83893561 573698229 /nfs/dbraw/zinc/69/82/29/573698229.db2.gz HLVZTUSHECXEEI-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN C[C@@H](CO)c1c(O)ccc2c1OCO2 258088020 573698250 /nfs/dbraw/zinc/69/82/50/573698250.db2.gz NSJPLWJGOHNRQQ-LURJTMIESA-N 0 0 196.202 1.217 10 0 ADAERN Cc1cncc(-c2nnc(N)s2)c1 83892361 573698257 /nfs/dbraw/zinc/69/82/57/573698257.db2.gz HISDRZYRZQPADU-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN C[C@H]1CC[C@@H](CCCO)C1=O 238482931 573698259 /nfs/dbraw/zinc/69/82/59/573698259.db2.gz NXIDBFANCVGKMD-JGVFFNPUSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H](CCC(=O)[O-])[NH2+][C@H]1CC12CC2 715330020 573698317 /nfs/dbraw/zinc/69/83/17/573698317.db2.gz PZQTXMAMJDDWCF-YUMQZZPRSA-N 0 0 183.251 1.382 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)COC2 258086555 573698321 /nfs/dbraw/zinc/69/83/21/573698321.db2.gz WIYHESNAKWPUHH-QMMMGPOBSA-N 0 0 178.231 1.813 10 0 ADAERN Cc1nn(C)c(C)c1OCC(C)(C)O 83893122 573698331 /nfs/dbraw/zinc/69/83/31/573698331.db2.gz NNDSXWMENFPNIH-UHFFFAOYSA-N 0 0 198.266 1.187 10 0 ADAERN CNc1cncc(N(C)C2CC2)c1 122095720 573698333 /nfs/dbraw/zinc/69/83/33/573698333.db2.gz KKHHPHIHWXBPSJ-UHFFFAOYSA-N 0 0 177.251 1.722 10 0 ADAERN OC[C@@]1(Cc2ccoc2)CCCOC1 236500057 573698362 /nfs/dbraw/zinc/69/83/62/573698362.db2.gz HHPCECVSXDGSIG-NSHDSACASA-N 0 0 196.246 1.611 10 0 ADAERN c1cnc2c(c1)CN1CCCC[C@@H]1N2 237995250 573698375 /nfs/dbraw/zinc/69/83/75/573698375.db2.gz SWSRGPDCTJBXSS-SNVBAGLBSA-N 0 0 189.262 1.819 10 0 ADAERN C[C@H]1OC(C)(C)OC[C@@H]1CCO 197470305 573698381 /nfs/dbraw/zinc/69/83/81/573698381.db2.gz HLAKWBTVPSFVKH-SFYZADRCSA-N 0 0 174.240 1.156 10 0 ADAERN C[C@H](O)Cc1cccc2c1N[C@@H](C)C2 258086608 573697653 /nfs/dbraw/zinc/69/76/53/573697653.db2.gz NEOUYFYIFZHVSI-IUCAKERBSA-N 0 0 191.274 1.966 10 0 ADAERN Nc1cncnc1OCC1CCCC1 86926823 573697655 /nfs/dbraw/zinc/69/76/55/573697655.db2.gz QBPCUGCUYYBURH-UHFFFAOYSA-N 0 0 193.250 1.628 10 0 ADAERN CCC[C@@H](C)N(C)C(=O)[C@H]1CCO1 308425518 573698433 /nfs/dbraw/zinc/69/84/33/573698433.db2.gz QYWYWIWCRXGAMS-RKDXNWHRSA-N 0 0 185.267 1.422 10 0 ADAERN CCc1c[nH]c(CCC(=O)OC)n1 259169079 573698445 /nfs/dbraw/zinc/69/84/45/573698445.db2.gz VCDRHNUPYKQALU-UHFFFAOYSA-N 0 0 182.223 1.078 10 0 ADAERN CC[C@@H](O)[C@@H](C)OCC(F)F 130758930 573698447 /nfs/dbraw/zinc/69/84/47/573698447.db2.gz QPCSIUUYBHVPSK-PHDIDXHHSA-N 0 0 168.183 1.428 10 0 ADAERN Cc1ncc(N)cc1C(F)F 238482400 573698484 /nfs/dbraw/zinc/69/84/84/573698484.db2.gz CHNXLYALHQTGPP-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN OCCCc1cccc2c1COC2 258086588 573698493 /nfs/dbraw/zinc/69/84/93/573698493.db2.gz WKCAQGAFYKBGPZ-UHFFFAOYSA-N 0 0 178.231 1.642 10 0 ADAERN Cc1cncc(-c2noc(N)c2C)c1 83892378 573698495 /nfs/dbraw/zinc/69/84/95/573698495.db2.gz LHZXKWGEKPMXAX-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN Cc1ccc(F)c(CCO)c1O 258086500 573698515 /nfs/dbraw/zinc/69/85/15/573698515.db2.gz WHDKSVDJXVPOPK-UHFFFAOYSA-N 0 0 170.183 1.375 10 0 ADAERN OC[C@@H]1COc2c(Cl)cccc2C1 236513254 573698516 /nfs/dbraw/zinc/69/85/16/573698516.db2.gz UOJLNEXSWAMCOP-SSDOTTSWSA-N 0 0 198.649 1.883 10 0 ADAERN Cc1nccc([C@H]2NC[C@@H](C)S2)n1 124911450 573698534 /nfs/dbraw/zinc/69/85/34/573698534.db2.gz PDKFPTNZRAYWRE-MUWHJKNJSA-N 0 0 195.291 1.509 10 0 ADAERN Oc1ccc(F)cc1C1(O)CC1 258088442 573698538 /nfs/dbraw/zinc/69/85/38/573698538.db2.gz WOBZGOCNXRYLAI-UHFFFAOYSA-N 0 0 168.167 1.513 10 0 ADAERN C[C@@H]1CNc2c(CO)cccc2N1C 258415205 573698597 /nfs/dbraw/zinc/69/85/97/573698597.db2.gz DLMKJZOPCDDBGX-MRVPVSSYSA-N 0 0 192.262 1.429 10 0 ADAERN COCc1ccc(C[C@@H](C)O)cc1 258086381 573698602 /nfs/dbraw/zinc/69/86/02/573698602.db2.gz WEXVQEQEIDODGR-SECBINFHSA-N 0 0 180.247 1.756 10 0 ADAERN Cc1ccc(C(=O)CN)c(O)c1C 258086396 573698608 /nfs/dbraw/zinc/69/86/08/573698608.db2.gz WFMLXNVYVFXKIT-UHFFFAOYSA-N 0 0 179.219 1.150 10 0 ADAERN Cc1ccc(Cl)c2c1CNC2=O 238482412 573698611 /nfs/dbraw/zinc/69/86/11/573698611.db2.gz KODFYBVPTSSMAO-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN CC(C)Cn1nc2c(c1N)CSC2 257848024 573698613 /nfs/dbraw/zinc/69/86/13/573698613.db2.gz OBTRAQOGRIQQES-UHFFFAOYSA-N 0 0 197.307 1.868 10 0 ADAERN c1ccc2c3c([nH]c2c1)CNNC3 237998552 573698627 /nfs/dbraw/zinc/69/86/27/573698627.db2.gz VIIYJUQULPWWEK-UHFFFAOYSA-N 0 0 173.219 1.276 10 0 ADAERN CCCCNc1nonc1C 75825169 573698674 /nfs/dbraw/zinc/69/86/74/573698674.db2.gz VIMATQMNWAKZRA-UHFFFAOYSA-N 0 0 155.201 1.590 10 0 ADAERN COC(=O)C1(c2ccc[nH]2)CCC1 259167526 573698685 /nfs/dbraw/zinc/69/86/85/573698685.db2.gz JCCCTBBPXHBTCM-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN Cc1cncc(-c2nnc(N)o2)c1 83891983 573698688 /nfs/dbraw/zinc/69/86/88/573698688.db2.gz JPSKCTYHPHAUIZ-UHFFFAOYSA-N 0 0 176.179 1.022 10 0 ADAERN CC(=O)C(=O)N(C)Cc1ccc(C)o1 258884844 573698709 /nfs/dbraw/zinc/69/87/09/573698709.db2.gz HCLPEXGGLUUQOL-UHFFFAOYSA-N 0 0 195.218 1.135 10 0 ADAERN C[C@H](CO)c1c(O)ccc2c1OCO2 258088024 573698717 /nfs/dbraw/zinc/69/87/17/573698717.db2.gz NSJPLWJGOHNRQQ-ZCFIWIBFSA-N 0 0 196.202 1.217 10 0 ADAERN CC=CC1=NC(=S)N[C@H](C)C1C 237997165 573698718 /nfs/dbraw/zinc/69/87/18/573698718.db2.gz YQQFDADCQOTLHE-SMMXGFFBSA-N 0 0 182.292 1.703 10 0 ADAERN Nc1cncnc1OC1CCCCC1 86926533 573698734 /nfs/dbraw/zinc/69/87/34/573698734.db2.gz DEFJFLJBMUVZMG-UHFFFAOYSA-N 0 0 193.250 1.770 10 0 ADAERN Cc1cc([C@H]([NH3+])C(=O)[O-])cc(C)c1C 258088128 573698740 /nfs/dbraw/zinc/69/87/40/573698740.db2.gz NUDIZTNGLDMISW-JTQLQIEISA-N 0 0 193.246 1.696 10 0 ADAERN OC[C@]1(C2CC2)CCCOC1 236502414 573698741 /nfs/dbraw/zinc/69/87/41/573698741.db2.gz RRZUPCQOLXYHGS-SECBINFHSA-N 0 0 156.225 1.186 10 0 ADAERN Brc1cc2n[nH]cc2o1 237996378 573698748 /nfs/dbraw/zinc/69/87/48/573698748.db2.gz YCFLKAVAKRAPFY-UHFFFAOYSA-N 0 0 186.996 1.918 10 0 ADAERN Cc1nn(C)c(NCCC2CC2)c1N 83893516 573698771 /nfs/dbraw/zinc/69/87/71/573698771.db2.gz SRXNVHDRAPSJPB-UHFFFAOYSA-N 0 0 194.282 1.523 10 0 ADAERN CC(=O)CC(=O)Nc1sccc1C 258884916 573698773 /nfs/dbraw/zinc/69/87/73/573698773.db2.gz HEEZTRYRTKYDOY-UHFFFAOYSA-N 0 0 197.259 1.974 10 0 ADAERN C[C@H](CO)c1ccc2c(c1F)OCO2 258087912 573698783 /nfs/dbraw/zinc/69/87/83/573698783.db2.gz NQTKIBSUXPFIQY-ZCFIWIBFSA-N 0 0 198.193 1.650 10 0 ADAERN CSCc1nc(N)co1 257848455 573698821 /nfs/dbraw/zinc/69/88/21/573698821.db2.gz AWJDYXXZOSVFTA-UHFFFAOYSA-N 0 0 144.199 1.120 10 0 ADAERN CC(C)[C@H](COC(C)(C)C)NN 126852244 573698822 /nfs/dbraw/zinc/69/88/22/573698822.db2.gz ANZQYUWCFRABNM-QMMMGPOBSA-N 0 0 174.288 1.289 10 0 ADAERN Cc1nccc([C@@H]2N[C@H](C)CS2)n1 124912523 573698825 /nfs/dbraw/zinc/69/88/25/573698825.db2.gz QKCJODQQEFVCGM-HZGVNTEJSA-N 0 0 195.291 1.509 10 0 ADAERN C/C=C/C(C)=C/[C@H](C)O 237996507 573698849 /nfs/dbraw/zinc/69/88/49/573698849.db2.gz CRTNYFQFZHSXIZ-MBFKRBPYSA-N 0 0 126.199 1.890 10 0 ADAERN C/C=C/C1=C(C)[C@@H](C)NC(=S)N1N 237997210 573698858 /nfs/dbraw/zinc/69/88/58/573698858.db2.gz UBUDPJONQSQWMM-SMMXGFFBSA-N 0 0 197.307 1.289 10 0 ADAERN CNC(=S)N(C)CC(C)(C)C 122120949 573698869 /nfs/dbraw/zinc/69/88/69/573698869.db2.gz GZCYLUSEFWZOBD-UHFFFAOYSA-N 0 0 174.313 1.469 10 0 ADAERN c1nnc(NCCC2CC2)s1 83911092 573698884 /nfs/dbraw/zinc/69/88/84/573698884.db2.gz KKPNKRLUQMEFLE-UHFFFAOYSA-N 0 0 169.253 1.750 10 0 ADAERN Cc1cnc(N2CCCCC2)[nH]c1=O 238482944 573698887 /nfs/dbraw/zinc/69/88/87/573698887.db2.gz WIPBTRIBZFNRAX-UHFFFAOYSA-N 0 0 193.250 1.069 10 0 ADAERN Clc1nncn1CCC1CC1 83912672 573698893 /nfs/dbraw/zinc/69/88/93/573698893.db2.gz VKIWYVKDVDRCJF-UHFFFAOYSA-N 0 0 171.631 1.732 10 0 ADAERN CNc1nc2scc(C)n2n1 259166796 573698911 /nfs/dbraw/zinc/69/89/11/573698911.db2.gz LJAKBBMPLFGGOU-UHFFFAOYSA-N 0 0 168.225 1.141 10 0 ADAERN CCOCCCN[C@@H](C)C(F)(F)F 393552153 573698948 /nfs/dbraw/zinc/69/89/48/573698948.db2.gz HLELLOJTGKARIR-ZETCQYMHSA-N 0 0 199.216 1.953 10 0 ADAERN OC[C@]1(c2ccc(F)cc2)CCO1 258415032 573698952 /nfs/dbraw/zinc/69/89/52/573698952.db2.gz CGDZFCDOUKBQJJ-JTQLQIEISA-N 0 0 182.194 1.434 10 0 ADAERN C[C@H]1Cc2ccc(CO)cc2N1 238483205 573698959 /nfs/dbraw/zinc/69/89/59/573698959.db2.gz AIZYRRFCOITPJE-ZETCQYMHSA-N 0 0 163.220 1.535 10 0 ADAERN Cc1cc(NC(N)=O)c2n[nH]cc2c1 238482411 573698971 /nfs/dbraw/zinc/69/89/71/573698971.db2.gz NCMDULHBMREEGB-UHFFFAOYSA-N 0 0 190.206 1.362 10 0 ADAERN C[C@](Cl)(CO)C[C@@H]1CCCCO1 238482199 573698992 /nfs/dbraw/zinc/69/89/92/573698992.db2.gz MUNDMDNAHVBEDB-DTWKUNHWSA-N 0 0 192.686 1.935 10 0 ADAERN CSc1c(F)cccc1C(=O)CN 258087167 573698993 /nfs/dbraw/zinc/69/89/93/573698993.db2.gz JJMUUHVVDGXOPF-UHFFFAOYSA-N 0 0 199.250 1.689 10 0 ADAERN CC1(C)OC(C)(C)c2nnc(N)cc21 86927622 573699000 /nfs/dbraw/zinc/69/90/00/573699000.db2.gz FMTAITDVSYBDBM-UHFFFAOYSA-N 0 0 193.250 1.559 10 0 ADAERN C[C@@H]1CNC(=O)N1c1ccc(O)cc1 257848954 573699002 /nfs/dbraw/zinc/69/90/02/573699002.db2.gz OGIMWFNFPNUJFC-SSDOTTSWSA-N 0 0 192.218 1.310 10 0 ADAERN CCCCSc1ncc(CO)cn1 126836946 573699008 /nfs/dbraw/zinc/69/90/08/573699008.db2.gz NGBKWXWLIRVXNM-UHFFFAOYSA-N 0 0 198.291 1.861 10 0 ADAERN Cc1ccc(O)c2c1[C@@H]1CCO[C@@H]1O2 238482742 573699020 /nfs/dbraw/zinc/69/90/20/573699020.db2.gz WRHIACRBGCVILX-WRWORJQWSA-N 0 0 192.214 1.923 10 0 ADAERN C[C@H](CO)c1ccc(F)cc1N(C)C 259557867 573699029 /nfs/dbraw/zinc/69/90/29/573699029.db2.gz WJLNVVHZSGOJIR-MRVPVSSYSA-N 0 0 197.253 1.988 10 0 ADAERN CC[C@@H](F)[C@@H](C)O 257848412 573699031 /nfs/dbraw/zinc/69/90/31/573699031.db2.gz QWKGTMOLADCCAC-RFZPGFLSSA-N 0 0 106.140 1.115 10 0 ADAERN CC[C@H](F)[C@@H](C)O 257848413 573699046 /nfs/dbraw/zinc/69/90/46/573699046.db2.gz QWKGTMOLADCCAC-UHNVWZDZSA-N 0 0 106.140 1.115 10 0 ADAERN CC1(C)C[C@]2(CNC(=O)O2)C(C)(C)O1 86928853 573699085 /nfs/dbraw/zinc/69/90/85/573699085.db2.gz ZFYHIBPXKPHDAW-JTQLQIEISA-N 0 0 199.250 1.443 10 0 ADAERN C[C@H]1Cc2ccc(CCO)cc2C1 238483092 573699096 /nfs/dbraw/zinc/69/90/96/573699096.db2.gz SMXNPVVDKLZDHL-VIFPVBQESA-N 0 0 176.259 1.956 10 0 ADAERN Cc1nccc([C@@H]2NC[C@@H](C)S2)n1 124911317 573699103 /nfs/dbraw/zinc/69/91/03/573699103.db2.gz PDKFPTNZRAYWRE-HZGVNTEJSA-N 0 0 195.291 1.509 10 0 ADAERN COCO[C@H](C)C/C=C\C[C@H](C)O 393551377 573699115 /nfs/dbraw/zinc/69/91/15/573699115.db2.gz ZMVAVGBWEPFGDO-YVDHIRPGSA-N 0 0 188.267 1.713 10 0 ADAERN C[C@@H]1C[C@H](CO)Cc2oc(CO)cc21 197469898 573699120 /nfs/dbraw/zinc/69/91/20/573699120.db2.gz QRZQTLLLUIUELH-SFYZADRCSA-N 0 0 196.246 1.430 10 0 ADAERN C[C@@H]1C[C@H](Nc2ccccc2)C(=O)O1 238482636 573699137 /nfs/dbraw/zinc/69/91/37/573699137.db2.gz RFWIXKKAVJVFAA-SCZZXKLOSA-N 0 0 191.230 1.803 10 0 ADAERN OCc1cc([C@H]2CCCCO2)on1 257848302 573699142 /nfs/dbraw/zinc/69/91/42/573699142.db2.gz ASTNXZNJVUMBEP-MRVPVSSYSA-N 0 0 183.207 1.409 10 0 ADAERN O=C1CC2=C(CCCC2)CC(=O)N1 197479257 573699166 /nfs/dbraw/zinc/69/91/66/573699166.db2.gz OZYRMVVANJMUCW-UHFFFAOYSA-N 0 0 179.219 1.294 10 0 ADAERN C[C@]1(c2ccc(N)cc2)CNC(=O)O1 257848023 573699169 /nfs/dbraw/zinc/69/91/69/573699169.db2.gz OBTOJMKZAVOGPL-SNVBAGLBSA-N 0 0 192.218 1.224 10 0 ADAERN OCc1csc(-c2ccncn2)n1 83942534 573706534 /nfs/dbraw/zinc/70/65/34/573706534.db2.gz BTRYBWJEEXKKGP-UHFFFAOYSA-N 0 0 193.231 1.092 10 0 ADAERN C[C@H]1C[C@@H](n2nccc2N)CS1 86936470 573706560 /nfs/dbraw/zinc/70/65/60/573706560.db2.gz YLUCBFLQUDLQCJ-NKWVEPMBSA-N 0 0 183.280 1.532 10 0 ADAERN C[C@H]1C[C@](O)(c2ccnn2C)CS1 86938930 573706567 /nfs/dbraw/zinc/70/65/67/573706567.db2.gz MIUJJJLYZAOAFL-IONNQARKSA-N 0 0 198.291 1.133 10 0 ADAERN CC(C)OC[C@@]1(O)CS[C@@H](C)C1 86938585 573706572 /nfs/dbraw/zinc/70/65/72/573706572.db2.gz DQSSOCJMBAONIP-DTWKUNHWSA-N 0 0 190.308 1.668 10 0 ADAERN CCSC[C@H](O)Cc1ccoc1 130768128 573706580 /nfs/dbraw/zinc/70/65/80/573706580.db2.gz PHIWJKVYEZHIHZ-SECBINFHSA-N 0 0 186.276 1.936 10 0 ADAERN CC(=O)C1=C(O)[C@@H](C)CC1 238477235 573706588 /nfs/dbraw/zinc/70/65/88/573706588.db2.gz RLSQJVRISZLEMR-FSPLSTOPSA-N 0 0 140.182 1.191 10 0 ADAERN Cc1ccc2c(c1)C(=S)NCC2 108240503 573706594 /nfs/dbraw/zinc/70/65/94/573706594.db2.gz NYDGASQHHFAKQV-UHFFFAOYSA-N 0 0 177.272 1.816 10 0 ADAERN C[C@H]1CC(=O)NC(c2ccccc2)=N1 238477258 573706603 /nfs/dbraw/zinc/70/66/03/573706603.db2.gz WQWBCYDGQYSBPO-QMMMGPOBSA-N 0 0 188.230 1.342 10 0 ADAERN COCCC[C@@H](O)Cc1ccco1 130767934 573706612 /nfs/dbraw/zinc/70/66/12/573706612.db2.gz JNPOXJYRVPEOJU-SECBINFHSA-N 0 0 184.235 1.610 10 0 ADAERN Cc1cc(N)n([C@H]2CS[C@@H](C)C2)n1 86936475 573706620 /nfs/dbraw/zinc/70/66/20/573706620.db2.gz CSBFQKPQJFYSDN-JGVFFNPUSA-N 0 0 197.307 1.840 10 0 ADAERN O[C@@H](COCC(F)F)C1CC1 130769451 573706627 /nfs/dbraw/zinc/70/66/27/573706627.db2.gz JEQHIGFDMPNASK-LURJTMIESA-N 0 0 166.167 1.039 10 0 ADAERN O[C@@H]1CCC[C@H]1Cc1cncc(F)c1 236543956 573706649 /nfs/dbraw/zinc/70/66/49/573706649.db2.gz BCZRWCPQQPHHFY-GXSJLCMTSA-N 0 0 195.237 1.924 10 0 ADAERN C[C@H]1C[C@@](O)(c2nccn2C)CS1 86938518 573706667 /nfs/dbraw/zinc/70/66/67/573706667.db2.gz TZUJNSJMWBSOTI-CBAPKCEASA-N 0 0 198.291 1.133 10 0 ADAERN C[C@H](c1ccccc1)c1nnc[nH]1 75842258 573706689 /nfs/dbraw/zinc/70/66/89/573706689.db2.gz LSIYDJWGNPJARA-MRVPVSSYSA-N 0 0 173.219 1.957 10 0 ADAERN OCc1n[nH]cc1-c1ccccc1 75844763 573706698 /nfs/dbraw/zinc/70/66/98/573706698.db2.gz CFFMYSNIPNUJRP-UHFFFAOYSA-N 0 0 174.203 1.569 10 0 ADAERN O[C@@H](c1ccco1)C1(O)CCCC1 236534931 573706709 /nfs/dbraw/zinc/70/67/09/573706709.db2.gz ZISFCBKLEQIQRX-VIFPVBQESA-N 0 0 182.219 1.618 10 0 ADAERN C[C@H]1CCc2cccc(CON)c2O1 258101058 573706712 /nfs/dbraw/zinc/70/67/12/573706712.db2.gz OVDKCSNMYMNKRE-QMMMGPOBSA-N 0 0 193.246 1.790 10 0 ADAERN C[C@H]1C[C@@H](C(=O)C2CCC2)CO1 122149565 573706723 /nfs/dbraw/zinc/70/67/23/573706723.db2.gz WJKPAJKQWZFDCW-IONNQARKSA-N 0 0 168.236 1.781 10 0 ADAERN C[C@@H]1C[C@](O)(C(F)(F)F)CS1 86939003 573706727 /nfs/dbraw/zinc/70/67/27/573706727.db2.gz WQVRSPVYARXQNM-RFZPGFLSSA-N 0 0 186.198 1.805 10 0 ADAERN Cc1nc(C(C)(C)O)sc1C 75845954 573706735 /nfs/dbraw/zinc/70/67/35/573706735.db2.gz WLWDYIQHBOWUHI-UHFFFAOYSA-N 0 0 171.265 1.987 10 0 ADAERN OCc1nc2cccnc2s1 75844619 573706741 /nfs/dbraw/zinc/70/67/41/573706741.db2.gz JLIGHDPDOHCYIS-UHFFFAOYSA-N 0 0 166.205 1.184 10 0 ADAERN C[C@H]([NH3+])c1nccn1C(C)(C)C 75845097 573706742 /nfs/dbraw/zinc/70/67/42/573706742.db2.gz ZWGWDDOXVMUKBB-ZETCQYMHSA-N 0 0 167.256 1.658 10 0 ADAERN CN(C)c1cccc(F)c1CO 75844576 573706749 /nfs/dbraw/zinc/70/67/49/573706749.db2.gz COYVVKHZYKOWMH-UHFFFAOYSA-N 0 0 169.199 1.384 10 0 ADAERN C[C@H]([NH3+])c1c2c(nn1C)CCCC2 75845364 573706757 /nfs/dbraw/zinc/70/67/57/573706757.db2.gz FIFGJOMDSBSCGR-ZETCQYMHSA-N 0 0 179.267 1.319 10 0 ADAERN C[C@H]1CNc2ccc(O)cc2NC1=O 257849126 573706774 /nfs/dbraw/zinc/70/67/74/573706774.db2.gz AURVBZDLHNLMGZ-LURJTMIESA-N 0 0 192.218 1.392 10 0 ADAERN CNc1nc(Br)co1 257849345 573706794 /nfs/dbraw/zinc/70/67/94/573706794.db2.gz BCHGJYCOHFYIAK-UHFFFAOYSA-N 0 0 177.001 1.479 10 0 ADAERN COc1cc(C)cc(C)c1C(N)N 259176927 573706798 /nfs/dbraw/zinc/70/67/98/573706798.db2.gz FCOZPINQRVYBMB-UHFFFAOYSA-N 0 0 180.251 1.228 10 0 ADAERN Oc1ccc2c(c1C1(O)CC1)COC2 258100963 573706809 /nfs/dbraw/zinc/70/68/09/573706809.db2.gz OTYWJTFNUGUMSG-UHFFFAOYSA-N 0 0 192.214 1.404 10 0 ADAERN O[C@@H](Cn1cccc1)C(F)(F)F 236541186 573706811 /nfs/dbraw/zinc/70/68/11/573706811.db2.gz SZTMHKKWJSAHHR-LURJTMIESA-N 0 0 179.141 1.411 10 0 ADAERN CC[N@@H+]1CC[C@@H](CC(=O)[O-])CC1(C)C 259558960 573706814 /nfs/dbraw/zinc/70/68/14/573706814.db2.gz XSJIUJKRVLYWTB-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN CC(=O)[C@@H]1CC[C@H](C)C[N@H+]1C 238477400 573706821 /nfs/dbraw/zinc/70/68/21/573706821.db2.gz DRKPCMDTOPVHBN-CBAPKCEASA-N 0 0 155.241 1.306 10 0 ADAERN CC(C)c1ccc(F)c([C@@H]([NH3+])CO)c1 258101013 573706849 /nfs/dbraw/zinc/70/68/49/573706849.db2.gz OUUPXUMNTOZXBP-NSHDSACASA-N 0 0 197.253 1.941 10 0 ADAERN C1=c2ccccc2=Cc2ccccc2N1 78582075 573706866 /nfs/dbraw/zinc/70/68/66/573706866.db2.gz FAJGWBHDKADUHW-UHFFFAOYSA-N 0 0 193.249 1.679 10 0 ADAERN CC(C)=C[C@@]1(O)CCSC1 86938278 573706868 /nfs/dbraw/zinc/70/68/68/573706868.db2.gz OSLREDUDSTZEQM-QMMMGPOBSA-N 0 0 158.266 1.821 10 0 ADAERN Cc1nc2ccc(O)cc2n1C 75838635 573706871 /nfs/dbraw/zinc/70/68/71/573706871.db2.gz PERYLNJPAPMAJZ-UHFFFAOYSA-N 0 0 162.192 1.587 10 0 ADAERN C/C=C\C[N@H+](CC(=O)[O-])[C@@H](C)CC 215337231 573706882 /nfs/dbraw/zinc/70/68/82/573706882.db2.gz WILCRNXOMSYVJJ-RNEXMXFGSA-N 0 0 185.267 1.748 10 0 ADAERN CC(=O)CCn1cnc(C(C)C)n1 393553684 573706885 /nfs/dbraw/zinc/70/68/85/573706885.db2.gz HQMJZQLJRUDHKT-UHFFFAOYSA-N 0 0 181.239 1.381 10 0 ADAERN Cc1ccc(N(C)C(=O)CCO)cc1 258889015 573706893 /nfs/dbraw/zinc/70/68/93/573706893.db2.gz QSRPOZVIQQJDHY-UHFFFAOYSA-N 0 0 193.246 1.340 10 0 ADAERN CN(C)c1ccc(F)c(C=O)c1 75844160 573706901 /nfs/dbraw/zinc/70/69/01/573706901.db2.gz QPUWWOJPRZIVTJ-UHFFFAOYSA-N 0 0 167.183 1.704 10 0 ADAERN CC[C@](C)(C(=O)[O-])[C@@H]([NH3+])c1ccoc1 308690188 573706909 /nfs/dbraw/zinc/70/69/09/573706909.db2.gz RFUUCPSCDAYUEK-WPRPVWTQSA-N 0 0 197.234 1.780 10 0 ADAERN C[C@@H](O)Cc1ccccc1C1COC1 258100851 573706934 /nfs/dbraw/zinc/70/69/34/573706934.db2.gz ORVRUKCFSLRDAK-SECBINFHSA-N 0 0 192.258 1.724 10 0 ADAERN CCCc1[nH+]cc2cccc(O)n12 258100385 573706946 /nfs/dbraw/zinc/70/69/46/573706946.db2.gz XIQPDHHQDSQCJG-UHFFFAOYSA-N 0 0 176.219 1.992 10 0 ADAERN O[C@@H]1CCC[C@@H]1Cc1cncc(F)c1 236532073 573706964 /nfs/dbraw/zinc/70/69/64/573706964.db2.gz BCZRWCPQQPHHFY-MWLCHTKSSA-N 0 0 195.237 1.924 10 0 ADAERN CC(C)(O)c1ncccc1F 75845939 573706995 /nfs/dbraw/zinc/70/69/95/573706995.db2.gz OBSWMACXELRFLH-UHFFFAOYSA-N 0 0 155.172 1.448 10 0 ADAERN O=C1CCCN[C@H]1c1ccccc1F 258890225 573707004 /nfs/dbraw/zinc/70/70/04/573707004.db2.gz NSRCZJNXCOOZNY-NSHDSACASA-N 0 0 193.221 1.819 10 0 ADAERN C[C@@H]([NH2+][C@H]1C[C@@H]1CO)c1ccccc1 308691216 573707006 /nfs/dbraw/zinc/70/70/06/573707006.db2.gz JSPHKMCAJGNGHE-JLLWLGSASA-N 0 0 191.274 1.718 10 0 ADAERN CC(C)OC[C@@]1(O)CCSC1 86937960 573707014 /nfs/dbraw/zinc/70/70/14/573707014.db2.gz AFXWNGLXNDKPHZ-QMMMGPOBSA-N 0 0 176.281 1.279 10 0 ADAERN C/C=C/C[C@@H](O)[C@H]1CCCCO1 238017633 573707020 /nfs/dbraw/zinc/70/70/20/573707020.db2.gz NOFGGLXTOPHDBL-HLKOZVMDSA-N 0 0 170.252 1.883 10 0 ADAERN C[C@@H]1C[C@@](O)(c2ccco2)CS1 86939382 573707022 /nfs/dbraw/zinc/70/70/22/573707022.db2.gz GHCMTQMWXYLHNX-APPZFPTMSA-N 0 0 184.260 1.993 10 0 ADAERN CCOc1ccncc1C(=O)[C@H](C)[NH3+] 308691492 573707028 /nfs/dbraw/zinc/70/70/28/573707028.db2.gz RQCFOFUYZWVGSD-ZETCQYMHSA-N 0 0 194.234 1.010 10 0 ADAERN CN(C)c1ccc2c(c1)ncn2C 75838448 573707038 /nfs/dbraw/zinc/70/70/38/573707038.db2.gz NEBZEUMHTUFRJJ-UHFFFAOYSA-N 0 0 175.235 1.639 10 0 ADAERN CC(O)=C1CC[C@H](C)SC1=O 238477210 573707040 /nfs/dbraw/zinc/70/70/40/573707040.db2.gz DWBXQYPXOVKVBV-FSPLSTOPSA-N 0 0 172.249 1.634 10 0 ADAERN COc1cc(CCON)c(O)cc1C 258100869 573707043 /nfs/dbraw/zinc/70/70/43/573707043.db2.gz OSJBQIUJZRJJRQ-UHFFFAOYSA-N 0 0 197.234 1.142 10 0 ADAERN O=C1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O 236542312 573707046 /nfs/dbraw/zinc/70/70/46/573707046.db2.gz YMMOJOUKFXRPSZ-AEJSXWLSSA-N 0 0 198.262 1.143 10 0 ADAERN C[C@H](O)Cc1ccccc1C1COC1 258100853 573707047 /nfs/dbraw/zinc/70/70/47/573707047.db2.gz ORVRUKCFSLRDAK-VIFPVBQESA-N 0 0 192.258 1.724 10 0 ADAERN C/C=C/C[C@@H](O)C(F)F 238017161 573707049 /nfs/dbraw/zinc/70/70/49/573707049.db2.gz OUQUQTLKXDNEHL-WVSAJJKCSA-N 0 0 136.141 1.579 10 0 ADAERN C/C=C\C[N@H+](CCC(=O)[O-])C(C)C 215335334 573707052 /nfs/dbraw/zinc/70/70/52/573707052.db2.gz NLQHIRUCLAQMSH-PLNGDYQASA-N 0 0 185.267 1.748 10 0 ADAERN Cc1n[nH]c(C)c1C(C)(C)O 75845880 573707061 /nfs/dbraw/zinc/70/70/61/573707061.db2.gz MBDUOSBFLPOEFE-UHFFFAOYSA-N 0 0 154.213 1.254 10 0 ADAERN O[C@@H]1CCOC[C@H]1CCC1CC1 236532906 573707063 /nfs/dbraw/zinc/70/70/63/573707063.db2.gz XTHUTOGGKRCMGJ-NXEZZACHSA-N 0 0 170.252 1.574 10 0 ADAERN CC[C@@]1(O)CS[C@H](C)C1 86938718 573707071 /nfs/dbraw/zinc/70/70/71/573707071.db2.gz ZHSYUPQXZWHEMQ-RQJHMYQMSA-N 0 0 146.255 1.653 10 0 ADAERN Cc1ccc(C2=NCCO2)c(O)c1 238477541 573707094 /nfs/dbraw/zinc/70/70/94/573707094.db2.gz WDXSKXYYMHRDSD-UHFFFAOYSA-N 0 0 177.203 1.477 10 0 ADAERN CC[C@]1(O)CS[C@@H](C)C1 86938716 573707096 /nfs/dbraw/zinc/70/70/96/573707096.db2.gz ZHSYUPQXZWHEMQ-NKWVEPMBSA-N 0 0 146.255 1.653 10 0 ADAERN Cc1cc(C=O)n(C)c1C 108263663 573707106 /nfs/dbraw/zinc/70/71/06/573707106.db2.gz ALEOWRAEMBPHSO-UHFFFAOYSA-N 0 0 137.182 1.454 10 0 ADAERN C[C@H]([NH3+])c1nccn1-c1ccccn1 75845164 573707109 /nfs/dbraw/zinc/70/71/09/573707109.db2.gz JHZPMPMRYOOWJU-QMMMGPOBSA-N 0 0 188.234 1.287 10 0 ADAERN COC(=O)[C@@H](F)C[C@@H]1CCCS1 257849671 573707129 /nfs/dbraw/zinc/70/71/29/573707129.db2.gz OLGPYIXYGTUIFL-BQBZGAKWSA-N 0 0 192.255 1.783 10 0 ADAERN CCc1nc2c(n1C)CC[C@@H]2C(=O)[O-] 108251731 573707135 /nfs/dbraw/zinc/70/71/35/573707135.db2.gz OWLHLPBCDKPGBW-LURJTMIESA-N 0 0 194.234 1.097 10 0 ADAERN Cc1ccc2c(c1)[C@@](O)(CO)CCC2 257849789 573707143 /nfs/dbraw/zinc/70/71/43/573707143.db2.gz ONQPMWYRZVJWDS-LBPRGKRZSA-N 0 0 192.258 1.511 10 0 ADAERN Cc1[nH]c2c(c1C(N)=O)CCCC2 238477267 573707159 /nfs/dbraw/zinc/70/71/59/573707159.db2.gz VEZPJXWLDJLYFC-UHFFFAOYSA-N 0 0 178.235 1.301 10 0 ADAERN C[C@H]1C[C@](O)(c2cccnc2)CS1 86939253 573707183 /nfs/dbraw/zinc/70/71/83/573707183.db2.gz BOFUEMRXJIOFLH-WCBMZHEXSA-N 0 0 195.287 1.795 10 0 ADAERN Cc1nc(-c2cccc(N)c2)cn1C 108240623 573707186 /nfs/dbraw/zinc/70/71/86/573707186.db2.gz PGKDIFRRWWQMNU-UHFFFAOYSA-N 0 0 187.246 1.978 10 0 ADAERN C[C@H]([NH3+])c1c(Cl)cnn1C 75845358 573707189 /nfs/dbraw/zinc/70/71/89/573707189.db2.gz NNSRHSHAAHLPSC-BYPYZUCNSA-N 0 0 159.620 1.093 10 0 ADAERN CCO[C@H](C)[C@@H](O)Cc1ccco1 130762040 573707190 /nfs/dbraw/zinc/70/71/90/573707190.db2.gz DBHFWEXWZWFRLF-SCZZXKLOSA-N 0 0 184.235 1.608 10 0 ADAERN C[C@@H]1C[C@@](O)([C@@H]2CCOC2)CS1 86939156 573707223 /nfs/dbraw/zinc/70/72/23/573707223.db2.gz OJQGDTLYCLRPIU-HLTSFMKQSA-N 0 0 188.292 1.279 10 0 ADAERN C[C@@H]1CC(=O)[C@H]([C@H](C)O)[C@@H](C)C1 238477184 573707230 /nfs/dbraw/zinc/70/72/30/573707230.db2.gz WQLVWXBPJIAVIA-GHCJXIJMSA-N 0 0 170.252 1.619 10 0 ADAERN C[C@@H]1C[C@](O)(c2nccn2C)CS1 86938511 573707236 /nfs/dbraw/zinc/70/72/36/573707236.db2.gz TZUJNSJMWBSOTI-VXNVDRBHSA-N 0 0 198.291 1.133 10 0 ADAERN COC(=O)[C@H](F)C[C@@H]1CCCS1 257849673 573707277 /nfs/dbraw/zinc/70/72/77/573707277.db2.gz OLGPYIXYGTUIFL-NKWVEPMBSA-N 0 0 192.255 1.783 10 0 ADAERN CC(C)(C)[C@H](O)COCC(F)F 130768385 573707288 /nfs/dbraw/zinc/70/72/88/573707288.db2.gz LQJVKJVMHWCYPK-ZCFIWIBFSA-N 0 0 182.210 1.675 10 0 ADAERN C[C@@H](O)c1nc2cnccc2s1 75852924 573712053 /nfs/dbraw/zinc/71/20/53/573712053.db2.gz KKKRZMUADQCHAB-RXMQYKEDSA-N 0 0 180.232 1.745 10 0 ADAERN CONCc1cc2c(cc1F)OCO2 258094854 573712319 /nfs/dbraw/zinc/71/23/19/573712319.db2.gz KAVHQKBTMUSFOX-UHFFFAOYSA-N 0 0 199.181 1.205 10 0 ADAERN C[C@]1(Cl)C(=O)[C@@H]2C=CC[C@@H]21 238492780 573712321 /nfs/dbraw/zinc/71/23/21/573712321.db2.gz LDDKDFFLPCUTFL-GKROBHDKSA-N 0 0 156.612 1.759 10 0 ADAERN COC[C@H](C)[C@@H](C)NC(=O)C1CC1 393555148 573712334 /nfs/dbraw/zinc/71/23/34/573712334.db2.gz LCZNFWJGZKZEMQ-JGVFFNPUSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@H]1C[C@@](O)(c2cnn(C)c2)CS1 86939533 573712349 /nfs/dbraw/zinc/71/23/49/573712349.db2.gz MQKDBIFUSSQQME-CBAPKCEASA-N 0 0 198.291 1.133 10 0 ADAERN Cc1cc(C[C@@H](O)CO)cc(C)c1C 238492788 573712367 /nfs/dbraw/zinc/71/23/67/573712367.db2.gz RYRYJCLEFUBUDQ-GFCCVEGCSA-N 0 0 194.274 1.508 10 0 ADAERN COC[C@@H](C)[C@@H](C)NC(=O)C1CC1 393555145 573712369 /nfs/dbraw/zinc/71/23/69/573712369.db2.gz LCZNFWJGZKZEMQ-HTQZYQBOSA-N 0 0 185.267 1.184 10 0 ADAERN C[C@@H](O)c1ccnn1-c1ccccc1 75853224 573711418 /nfs/dbraw/zinc/71/14/18/573711418.db2.gz ZBYMXPSWJTWWGB-SECBINFHSA-N 0 0 188.230 1.926 10 0 ADAERN C[C@@H](CO)[C@H]1Cc2ccccc2N1 257850173 573711427 /nfs/dbraw/zinc/71/14/27/573711427.db2.gz DVHNUKLDAYDHEM-GZMMTYOYSA-N 0 0 177.247 1.652 10 0 ADAERN O=C1CC[C@@H](Cc2ccncc2)C1 83951902 573711435 /nfs/dbraw/zinc/71/14/35/573711435.db2.gz SONZCALNTPEPDE-JTQLQIEISA-N 0 0 175.231 1.993 10 0 ADAERN O[C@H]1CCOC[C@@H]1CC(F)(F)F 236555643 573711468 /nfs/dbraw/zinc/71/14/68/573711468.db2.gz CVTPSBMDKJUOEE-WDSKDSINSA-N 0 0 184.157 1.336 10 0 ADAERN OC1(Cc2ccncc2)CCCC1 83950588 573711476 /nfs/dbraw/zinc/71/14/76/573711476.db2.gz ZLNDCZSFYYYSEM-UHFFFAOYSA-N 0 0 177.247 1.929 10 0 ADAERN C[C@@H]1C[C@@](O)(C2CC2)CS1 86939728 573711480 /nfs/dbraw/zinc/71/14/80/573711480.db2.gz SPLKOBZHUMBLCD-SVRRBLITSA-N 0 0 158.266 1.653 10 0 ADAERN Cc1ccc2oc(C(=N)N)nc2c1 75847963 573711488 /nfs/dbraw/zinc/71/14/88/573711488.db2.gz VBBTXSNQXHCMOS-UHFFFAOYSA-N 0 0 175.191 1.420 10 0 ADAERN C[C@@H]1CCc2[nH]c(C=O)cc2C1 108264679 573711491 /nfs/dbraw/zinc/71/14/91/573711491.db2.gz GROYWHAUSLZNTR-SSDOTTSWSA-N 0 0 163.220 1.952 10 0 ADAERN OCC[C@@H]1CNc2cc(F)ccc2C1 257854081 573711492 /nfs/dbraw/zinc/71/14/92/573711492.db2.gz PNPLIEIZHYTZKK-QMMMGPOBSA-N 0 0 195.237 1.792 10 0 ADAERN O[C@H]1CCOC[C@@H]1C1CCCC1 236555579 573711496 /nfs/dbraw/zinc/71/14/96/573711496.db2.gz SHUOGUQWQDLLDP-ZJUUUORDSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@@H](C1=COCCC1)C(F)F 236555638 573711516 /nfs/dbraw/zinc/71/15/16/573711516.db2.gz HQPPXWFVLSLIFJ-LURJTMIESA-N 0 0 164.151 1.307 10 0 ADAERN COC(=O)/C=C/C=C\[C@H](O)C(C)C 393554921 573711521 /nfs/dbraw/zinc/71/15/21/573711521.db2.gz KWSJSNMUYXPLFJ-XXUUQRLESA-N 0 0 184.235 1.289 10 0 ADAERN COC(=O)Nc1cnn(C(C)C)c1 122194773 573711541 /nfs/dbraw/zinc/71/15/41/573711541.db2.gz XTLCZMOBWVUXHN-UHFFFAOYSA-N 0 0 183.211 1.642 10 0 ADAERN C[C@H]1CCCCC[C@H]1NC(N)=S 83949462 573711550 /nfs/dbraw/zinc/71/15/50/573711550.db2.gz HSCJXDXWUGDIKQ-JGVFFNPUSA-N 0 0 186.324 1.788 10 0 ADAERN COCCCCOc1cccnc1N 130790553 573711553 /nfs/dbraw/zinc/71/15/53/573711553.db2.gz HURCXQYEQHYKMT-UHFFFAOYSA-N 0 0 196.250 1.469 10 0 ADAERN O[C@H](Cc1ccccn1)C1CCC1 83951352 573711559 /nfs/dbraw/zinc/71/15/59/573711559.db2.gz RGVSTJBLKVTQHA-LLVKDONJSA-N 0 0 177.247 1.785 10 0 ADAERN O[C@H]1CCC[C@H]1Sc1ncco1 236546157 573711567 /nfs/dbraw/zinc/71/15/67/573711567.db2.gz SHJQZOZHGXHVFS-NKWVEPMBSA-N 0 0 185.248 1.680 10 0 ADAERN O[C@@H]1CCC[C@@H]1Cc1ccccn1 83951745 573711585 /nfs/dbraw/zinc/71/15/85/573711585.db2.gz GKLCSXJFISOWDF-MWLCHTKSSA-N 0 0 177.247 1.785 10 0 ADAERN O[C@@]1(CCC2CC2)CCOC1 236549306 573711598 /nfs/dbraw/zinc/71/15/98/573711598.db2.gz LWNQSHWYYIXKAP-VIFPVBQESA-N 0 0 156.225 1.328 10 0 ADAERN OCC[C@H]1CNc2cc(F)ccc2C1 257854079 573711602 /nfs/dbraw/zinc/71/16/02/573711602.db2.gz PNPLIEIZHYTZKK-MRVPVSSYSA-N 0 0 195.237 1.792 10 0 ADAERN OC[C@H]1CCSC[C@H]1F 259561284 573711608 /nfs/dbraw/zinc/71/16/08/573711608.db2.gz CJHCFYQGZSGPHT-PHDIDXHHSA-N 0 0 150.218 1.070 10 0 ADAERN CC(C)SCc1nc(N)c[nH]1 257850765 573711617 /nfs/dbraw/zinc/71/16/17/573711617.db2.gz BNRIGWIZIUNQGE-UHFFFAOYSA-N 0 0 171.269 1.634 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1ccncc1 236558223 573711624 /nfs/dbraw/zinc/71/16/24/573711624.db2.gz KHPKZBIKDVDVKS-QWRGUYRKSA-N 0 0 193.246 1.022 10 0 ADAERN OCc1coc(Cc2ccco2)n1 258096978 573711636 /nfs/dbraw/zinc/71/16/36/573711636.db2.gz NEDPFBCHVZQLHY-UHFFFAOYSA-N 0 0 179.175 1.351 10 0 ADAERN CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](C)C1 259560013 573711643 /nfs/dbraw/zinc/71/16/43/573711643.db2.gz IHPKPVWMFZNGPW-YIZRAAEISA-N 0 0 186.251 1.347 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1ccsc1 236558256 573711679 /nfs/dbraw/zinc/71/16/79/573711679.db2.gz HMAFXZKOSCYQOX-UWVGGRQHSA-N 0 0 198.287 1.688 10 0 ADAERN C[C@H]1SCCC[C@H]1n1nccc1N 86945816 573711684 /nfs/dbraw/zinc/71/16/84/573711684.db2.gz OIFDEBSAVYSEMA-HTQZYQBOSA-N 0 0 197.307 1.922 10 0 ADAERN C[C@H]1C[C@]2(CNC(=O)C2)CS1 86941674 573711691 /nfs/dbraw/zinc/71/16/91/573711691.db2.gz SIDDEWFHURLDMA-XPUUQOCRSA-N 0 0 171.265 1.018 10 0 ADAERN C[C@H]1CC[C@H](C(=O)C2CCC2)O1 122181525 573711702 /nfs/dbraw/zinc/71/17/02/573711702.db2.gz ZVQQTGXDRDQBFK-IONNQARKSA-N 0 0 168.236 1.923 10 0 ADAERN O[C@@H]1C=C(Cc2ccncc2)CC1 83952343 573711712 /nfs/dbraw/zinc/71/17/12/573711712.db2.gz QMAHECSJUKZBPT-NSHDSACASA-N 0 0 175.231 1.705 10 0 ADAERN COCC(=O)N[C@@H]1CCCCC[C@@H]1C 83950185 573711717 /nfs/dbraw/zinc/71/17/17/573711717.db2.gz OEXBDIGEBBGBCB-VHSXEESVSA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)c1cc2[nH]ccc2n1C 259559930 573711723 /nfs/dbraw/zinc/71/17/23/573711723.db2.gz IFRJCFOIXOPJIJ-UHFFFAOYSA-N 0 0 178.191 1.293 10 0 ADAERN O[C@H](Cc1ccccn1)[C@H]1CCCO1 83951423 573711745 /nfs/dbraw/zinc/71/17/45/573711745.db2.gz ZXLKZPTWQBSWPN-GHMZBOCLSA-N 0 0 193.246 1.164 10 0 ADAERN C[C@H]1Cc2c(CCCO)cccc2O1 258096094 573711766 /nfs/dbraw/zinc/71/17/66/573711766.db2.gz OHKQLGWUNHPMHM-VIFPVBQESA-N 0 0 192.258 1.935 10 0 ADAERN O=Cc1ccccc1-n1cc[nH]c1=O 108267712 573711809 /nfs/dbraw/zinc/71/18/09/573711809.db2.gz IGCDEVRZUTUCSR-UHFFFAOYSA-N 0 0 188.186 1.390 10 0 ADAERN O=C(Cc1ccncc1)[C@H]1CCCO1 83950216 573711814 /nfs/dbraw/zinc/71/18/14/573711814.db2.gz DDZYICHBRZEYPE-LLVKDONJSA-N 0 0 191.230 1.372 10 0 ADAERN Cn1ccc2c(F)c(CON)ccc21 258096226 573711817 /nfs/dbraw/zinc/71/18/17/573711817.db2.gz OKWQPBOXYKARIW-UHFFFAOYSA-N 0 0 194.209 1.708 10 0 ADAERN C[C@H]1C[C@@]2(CNC(=O)C2)CS1 86941677 573711821 /nfs/dbraw/zinc/71/18/21/573711821.db2.gz SIDDEWFHURLDMA-POYBYMJQSA-N 0 0 171.265 1.018 10 0 ADAERN O=C(Cc1ccncc1)c1ccncn1 83951151 573711822 /nfs/dbraw/zinc/71/18/22/573711822.db2.gz JIFAEGZFPGTSLE-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN Cc1nn(C2CC2)c(C)c1CO 257850755 573711827 /nfs/dbraw/zinc/71/18/27/573711827.db2.gz BCYUIGCLYSVISC-UHFFFAOYSA-N 0 0 166.224 1.327 10 0 ADAERN COc1c(CO)c(C)nn1C(C)C 258101863 573711829 /nfs/dbraw/zinc/71/18/29/573711829.db2.gz YDCWGCJEXZKUAP-UHFFFAOYSA-N 0 0 184.239 1.273 10 0 ADAERN OCCc1cnn([C@H]2CCSC2)c1 257850019 573711866 /nfs/dbraw/zinc/71/18/66/573711866.db2.gz MIUKTNBQSHCFDC-VIFPVBQESA-N 0 0 198.291 1.096 10 0 ADAERN CC(C)Oc1cccc(O)c1CCO 258096169 573711875 /nfs/dbraw/zinc/71/18/75/573711875.db2.gz OIOHVZXEXADXJD-UHFFFAOYSA-N 0 0 196.246 1.714 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1cncs1 236558296 573711927 /nfs/dbraw/zinc/71/19/27/573711927.db2.gz MCYSMZKKOAQDFG-CBAPKCEASA-N 0 0 199.275 1.083 10 0 ADAERN ONCc1cccc(F)c1CF 258095954 573711930 /nfs/dbraw/zinc/71/19/30/573711930.db2.gz XGHFSQSANQXBAO-UHFFFAOYSA-N 0 0 173.162 1.774 10 0 ADAERN Cc1cc2nccc(=O)c-2c(C)[nH]1 238493062 573711944 /nfs/dbraw/zinc/71/19/44/573711944.db2.gz RKJNSDBKCIYQCO-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN CC[C@H](C[C@H](C)O)[C@@H](C)O 79029185 573711952 /nfs/dbraw/zinc/71/19/52/573711952.db2.gz KOCRQAWVMQLLPN-XLPZGREQSA-N 0 0 146.230 1.164 10 0 ADAERN CC(C)Cc1c[nH]nc1C=O 257854096 573711960 /nfs/dbraw/zinc/71/19/60/573711960.db2.gz SRSQQLYJAGTHPQ-UHFFFAOYSA-N 0 0 152.197 1.421 10 0 ADAERN NOCc1cc(C(F)F)ccc1O 258101128 573711966 /nfs/dbraw/zinc/71/19/66/573711966.db2.gz OWJZNIJKWIEZHP-UHFFFAOYSA-N 0 0 189.161 1.720 10 0 ADAERN C[C@H](O)c1cnc(C(F)(F)F)nc1 75852895 573711976 /nfs/dbraw/zinc/71/19/76/573711976.db2.gz YKUZLSRYYPHUEJ-BYPYZUCNSA-N 0 0 192.140 1.549 10 0 ADAERN OC1(c2ncccn2)CCCC1 75846704 573711993 /nfs/dbraw/zinc/71/19/93/573711993.db2.gz HWZXBHGXANANJY-UHFFFAOYSA-N 0 0 164.208 1.238 10 0 ADAERN CC(C)[C@H](O)c1cccnc1F 75853554 573712002 /nfs/dbraw/zinc/71/20/02/573712002.db2.gz XWCBFLOBVCNPMX-QMMMGPOBSA-N 0 0 169.199 1.910 10 0 ADAERN Cc1ccc2oc(C(N)=O)nc2c1 75847582 573712007 /nfs/dbraw/zinc/71/20/07/573712007.db2.gz KGZBYXMXTSMCOG-UHFFFAOYSA-N 0 0 176.175 1.235 10 0 ADAERN Cc1nc([C@@H]([NH3+])COC(C)C)co1 393554975 573712041 /nfs/dbraw/zinc/71/20/41/573712041.db2.gz OTTOIUIULGOMHP-QMMMGPOBSA-N 0 0 184.239 1.408 10 0 ADAERN C[C@H]1C[C@](O)(c2cnn(C)c2)CS1 86939528 573712045 /nfs/dbraw/zinc/71/20/45/573712045.db2.gz MQKDBIFUSSQQME-IONNQARKSA-N 0 0 198.291 1.133 10 0 ADAERN Nc1ccccc1-n1cc[nH]c1=O 108265800 573712050 /nfs/dbraw/zinc/71/20/50/573712050.db2.gz RMBRYDZPVBRJGG-UHFFFAOYSA-N 0 0 175.191 1.160 10 0 ADAERN C[C@]1(Cl)C(=O)[C@@H]2CCCO[C@@H]21 238492955 573714024 /nfs/dbraw/zinc/71/40/24/573714024.db2.gz UMUMWGZEJLIKDK-GEVIPFJHSA-N 0 0 174.627 1.362 10 0 ADAERN CC[C@H](O)/C=C/[C@H](CC)OC 238316590 573714028 /nfs/dbraw/zinc/71/40/28/573714028.db2.gz KTBAJBLOHOIJBB-YKAJXJTPSA-N 0 0 158.241 1.739 10 0 ADAERN C[C@H]1SCCC[C@@]1(C)O 86968403 573714032 /nfs/dbraw/zinc/71/40/32/573714032.db2.gz OOPVBURGTPTSEA-RNFRBKRXSA-N 0 0 146.255 1.653 10 0 ADAERN CCc1oc(CO)nc1C(F)(F)F 257855011 573714041 /nfs/dbraw/zinc/71/40/41/573714041.db2.gz PSVHFSRNOAVOFZ-UHFFFAOYSA-N 0 0 195.140 1.748 10 0 ADAERN CCn1c(O)c2c(=O)cccc-2n1C 257855019 573714050 /nfs/dbraw/zinc/71/40/50/573714050.db2.gz PTEZSBDXLHHIIN-UHFFFAOYSA-N 0 0 192.218 1.066 10 0 ADAERN CCC[C@H](C)[C@H]1COC(N)=N1 83964473 573714057 /nfs/dbraw/zinc/71/40/57/573714057.db2.gz KWVLLIPLRFQDCT-NKWVEPMBSA-N 0 0 156.229 1.136 10 0 ADAERN O[C@@H]1CSC[C@@H]1C/C=C/Cl 236552515 573714086 /nfs/dbraw/zinc/71/40/86/573714086.db2.gz IRNDAPBERVSSDD-YPIXSHMWSA-N 0 0 178.684 1.853 10 0 ADAERN CCOc1cccn2cc(C=O)nc12 108275425 573714088 /nfs/dbraw/zinc/71/40/88/573714088.db2.gz WEPLWFKRCSMMQL-UHFFFAOYSA-N 0 0 190.202 1.546 10 0 ADAERN CSc1nc(N)cc(C(F)F)n1 257855072 573714089 /nfs/dbraw/zinc/71/40/89/573714089.db2.gz PUGPITBEUWSQNM-UHFFFAOYSA-N 0 0 191.206 1.718 10 0 ADAERN COC(=O)NC(=O)CC(C)(C)Cl 224593477 573714100 /nfs/dbraw/zinc/71/41/00/573714100.db2.gz ROZSFVXZTAXWQV-UHFFFAOYSA-N 0 0 193.630 1.277 10 0 ADAERN COc1cc(O)c(F)c([C@@H](C)O)c1 258101121 573714103 /nfs/dbraw/zinc/71/41/03/573714103.db2.gz OWIHPRUEDNYIJW-RXMQYKEDSA-N 0 0 186.182 1.593 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@H]1c1ccccc1F 257854213 573714111 /nfs/dbraw/zinc/71/41/11/573714111.db2.gz PPUACBOOWLVOJA-APPZFPTMSA-N 0 0 195.193 1.171 10 0 ADAERN COCc1ccc([C@H](C)CO)cc1O 258101085 573714115 /nfs/dbraw/zinc/71/41/15/573714115.db2.gz OVPUTCTVRUDEGD-MRVPVSSYSA-N 0 0 196.246 1.634 10 0 ADAERN CSc1ccc(N(C)CO)cc1 258891209 573714127 /nfs/dbraw/zinc/71/41/27/573714127.db2.gz JHDNQTKSAGKPEN-UHFFFAOYSA-N 0 0 183.276 1.795 10 0 ADAERN O[C@@H]1CSC[C@H]1C/C=C/Cl 236553399 573714135 /nfs/dbraw/zinc/71/41/35/573714135.db2.gz IRNDAPBERVSSDD-IOMBPPLMSA-N 0 0 178.684 1.853 10 0 ADAERN CC(C)c1coc(C=O)n1 108277656 573714141 /nfs/dbraw/zinc/71/41/41/573714141.db2.gz XYTWSSNIORXYMV-UHFFFAOYSA-N 0 0 139.154 1.611 10 0 ADAERN Cc1ccc(F)c2c1C(=O)NC2 238493187 573714192 /nfs/dbraw/zinc/71/41/92/573714192.db2.gz KCYBVTYWSBVIKT-UHFFFAOYSA-N 0 0 165.167 1.378 10 0 ADAERN OCCc1nccn1-c1ccccc1 75856898 573714200 /nfs/dbraw/zinc/71/42/00/573714200.db2.gz VBYZCCCGHRHELA-UHFFFAOYSA-N 0 0 188.230 1.407 10 0 ADAERN C/C=C/[C@@H](O)C=C(F)F 238033246 573714205 /nfs/dbraw/zinc/71/42/05/573714205.db2.gz SBWUVDJNYOINOA-WVSAJJKCSA-N 0 0 134.125 1.704 10 0 ADAERN CC(=O)CN1CCc2ncccc21 258094837 573714229 /nfs/dbraw/zinc/71/42/29/573714229.db2.gz KCRAZHXHQIACOD-UHFFFAOYSA-N 0 0 176.219 1.033 10 0 ADAERN COc1nncc(CC(C)C)c1N 258096289 573714237 /nfs/dbraw/zinc/71/42/37/573714237.db2.gz XQOINJRWLHKLHI-UHFFFAOYSA-N 0 0 181.239 1.266 10 0 ADAERN CC1(C)OC12CCC(=O)CC2 197509083 573714238 /nfs/dbraw/zinc/71/42/38/573714238.db2.gz USFYFDSNTSDCHJ-UHFFFAOYSA-N 0 0 154.209 1.677 10 0 ADAERN CCOC[C@@]1(O)CCCS[C@H]1C 86968385 573714261 /nfs/dbraw/zinc/71/42/61/573714261.db2.gz BIHQFGILGAKNFA-IUCAKERBSA-N 0 0 190.308 1.670 10 0 ADAERN C/C=C/[C@@H](O)C12CC1C2 238032774 573714268 /nfs/dbraw/zinc/71/42/68/573714268.db2.gz QMXHLUWCCFUJAO-JRDCNMEDSA-N 0 0 124.183 1.333 10 0 ADAERN OCCc1nc2cc(F)ccc2s1 75856915 573714278 /nfs/dbraw/zinc/71/42/78/573714278.db2.gz QSWIGTBHMJXRCT-UHFFFAOYSA-N 0 0 197.234 1.970 10 0 ADAERN C[C@@H]1Cc2c(N)cccc2N1 238492364 573714301 /nfs/dbraw/zinc/71/43/01/573714301.db2.gz DURBGPIUTSQBEF-ZCFIWIBFSA-N 0 0 148.209 1.625 10 0 ADAERN C[C@H]1NCc2nc3ccccc3n21 83963624 573714302 /nfs/dbraw/zinc/71/43/02/573714302.db2.gz WSUXQMQCMJJMAD-ZETCQYMHSA-N 0 0 173.219 1.658 10 0 ADAERN CNc1cc(O)cc(C(=O)OC)c1 197507395 573714319 /nfs/dbraw/zinc/71/43/19/573714319.db2.gz PXKDKRMXHVKOAF-UHFFFAOYSA-N 0 0 181.191 1.221 10 0 ADAERN COCCc1cn2cccc(N)c2n1 258095306 573714323 /nfs/dbraw/zinc/71/43/23/573714323.db2.gz WYOLNSJGANBSKK-UHFFFAOYSA-N 0 0 191.234 1.105 10 0 ADAERN O[C@H](CC1CCC1)CC1OCCO1 236557898 573714328 /nfs/dbraw/zinc/71/43/28/573714328.db2.gz QPSIQOVKWQKWRN-SECBINFHSA-N 0 0 186.251 1.301 10 0 ADAERN CC(=O)C1(C)O[C@H](C)[C@@H](C)O1 238491997 573714332 /nfs/dbraw/zinc/71/43/32/573714332.db2.gz DSFFGEXZMSLVNF-PHDIDXHHSA-N 0 0 158.197 1.115 10 0 ADAERN O[C@H]1CCOC[C@@H]1CCCF 236555851 573714381 /nfs/dbraw/zinc/71/43/81/573714381.db2.gz ICHMRHBYDKVIHI-YUMQZZPRSA-N 0 0 162.204 1.134 10 0 ADAERN c1cc([C@@H]2CCOC2)ccn1 224595635 573714391 /nfs/dbraw/zinc/71/43/91/573714391.db2.gz AQAPMEAVRRAYJT-SECBINFHSA-N 0 0 149.193 1.586 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1nccs1 236558352 573714396 /nfs/dbraw/zinc/71/43/96/573714396.db2.gz DWYVINUMFNLFCE-YUMQZZPRSA-N 0 0 199.275 1.083 10 0 ADAERN OCC=C=CC1CCCC1 197500647 573714414 /nfs/dbraw/zinc/71/44/14/573714414.db2.gz MYIGPMOZCOZAQE-UHFFFAOYSA-N 0 0 138.210 1.880 10 0 ADAERN Cc1cc(C(C)(C)O)cc(CO)n1 238491986 573714428 /nfs/dbraw/zinc/71/44/28/573714428.db2.gz KXXINBGBPOIGRI-UHFFFAOYSA-N 0 0 181.235 1.110 10 0 ADAERN O[C@@H](Cc1ccco1)CC1CC1 130866675 573714431 /nfs/dbraw/zinc/71/44/31/573714431.db2.gz OAGHNZMZEMRVGK-SECBINFHSA-N 0 0 166.220 1.983 10 0 ADAERN NN[C@H]1CCCc2occc21 122246202 573714448 /nfs/dbraw/zinc/71/44/48/573714448.db2.gz SQWCTYCAOQUDNT-ZETCQYMHSA-N 0 0 152.197 1.120 10 0 ADAERN CC(C)C1CCC2(CC1)COC(N)=N2 83952608 573714462 /nfs/dbraw/zinc/71/44/62/573714462.db2.gz ABYPSKNHDVVJQU-UHFFFAOYSA-N 0 0 196.294 1.916 10 0 ADAERN COCc1ccc([C@@H](C)CO)cc1O 258101088 573714464 /nfs/dbraw/zinc/71/44/64/573714464.db2.gz OVPUTCTVRUDEGD-QMMMGPOBSA-N 0 0 196.246 1.634 10 0 ADAERN Cc1cccc([C@@H]([NH3+])[C@H](C)O)c1F 238493200 573714478 /nfs/dbraw/zinc/71/44/78/573714478.db2.gz ZFJFDRKRBVDAPJ-XVKPBYJWSA-N 0 0 183.226 1.515 10 0 ADAERN CCc1cc(NC)n[nH]1 108280114 573714488 /nfs/dbraw/zinc/71/44/88/573714488.db2.gz FINVJUQRESOHFX-UHFFFAOYSA-N 0 0 125.175 1.014 10 0 ADAERN C/C=C/[C@@H](O)C1(CO)CCCCC1 238032725 573714489 /nfs/dbraw/zinc/71/44/89/573714489.db2.gz AEAMYTUAHBZGPJ-GCEAOBNSSA-N 0 0 184.279 1.866 10 0 ADAERN CCC(=O)c1ncn2ccccc12 83963687 573714491 /nfs/dbraw/zinc/71/44/91/573714491.db2.gz ZMTDMAOGRQXBJT-UHFFFAOYSA-N 0 0 174.203 1.927 10 0 ADAERN NCc1nnc(C2CCC2)s1 83963298 573714503 /nfs/dbraw/zinc/71/45/03/573714503.db2.gz YEVOGYYZRGBNHL-UHFFFAOYSA-N 0 0 169.253 1.264 10 0 ADAERN C=C=C1CC[C@@]23CCC[C@@H]2[C@@H]1NC3=O 238032808 573714512 /nfs/dbraw/zinc/71/45/12/573714512.db2.gz SVCFWSMBIXIRFY-FOGDFJRCSA-N 0 0 189.258 1.776 10 0 ADAERN O[C@H]1CCOC[C@H]1CCC(F)(F)F 236561021 573714513 /nfs/dbraw/zinc/71/45/13/573714513.db2.gz DHINCOIEXIILNP-RQJHMYQMSA-N 0 0 198.184 1.726 10 0 ADAERN CCc1coc(C=O)n1 108277642 573714515 /nfs/dbraw/zinc/71/45/15/573714515.db2.gz NTBDUELOCYUWAZ-UHFFFAOYSA-N 0 0 125.127 1.050 10 0 ADAERN CNC(=S)c1cc(C)ccc1O 75856521 573714517 /nfs/dbraw/zinc/71/45/17/573714517.db2.gz PLAZXQCLJBHGKA-UHFFFAOYSA-N 0 0 181.260 1.596 10 0 ADAERN COC(=O)[C@H](N)CCCC(C)(C)C 259172627 573714518 /nfs/dbraw/zinc/71/45/18/573714518.db2.gz WOAOEJCNMFJDJQ-MRVPVSSYSA-N 0 0 187.283 1.703 10 0 ADAERN O[C@H]1CCOC[C@@H]1Cc1cscn1 236558326 573714531 /nfs/dbraw/zinc/71/45/31/573714531.db2.gz RHXRIPZJEKQEEG-CBAPKCEASA-N 0 0 199.275 1.083 10 0 ADAERN C[C@H]1CCCC[C@@H]1C(=O)CO 238493020 573714538 /nfs/dbraw/zinc/71/45/38/573714538.db2.gz BNAGLLNYEFCIBM-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN CNC(=S)c1ccc(C)cc1 75856503 573714546 /nfs/dbraw/zinc/71/45/46/573714546.db2.gz JZSYXRJQVNEGTB-UHFFFAOYSA-N 0 0 165.261 1.890 10 0 ADAERN C=C=C1C[C@@]23CC=CC[C@@H]2[C@@H]1NC3=O 238033118 573714558 /nfs/dbraw/zinc/71/45/58/573714558.db2.gz XPESMQRTWNSBRD-FOGDFJRCSA-N 0 0 187.242 1.552 10 0 ADAERN OC[C@@H]1CCC[C@H](F)C1 108280513 573714568 /nfs/dbraw/zinc/71/45/68/573714568.db2.gz XGPBMLUFFUNKMS-RQJHMYQMSA-N 0 0 132.178 1.507 10 0 ADAERN CCCc1nc2c(o1)CC[C@H](O)C2 257854328 573714572 /nfs/dbraw/zinc/71/45/72/573714572.db2.gz BQQHFTSNRCVPHJ-ZETCQYMHSA-N 0 0 181.235 1.477 10 0 ADAERN C[C@]1(O)C[C@@H]1[C@@H](O)c1ccccc1 238492520 573714575 /nfs/dbraw/zinc/71/45/75/573714575.db2.gz QFNAANSXAXWNTG-VWYCJHECSA-N 0 0 178.231 1.491 10 0 ADAERN C[C@@]1(C2CCCCC2)COC(N)=N1 83964579 573714585 /nfs/dbraw/zinc/71/45/85/573714585.db2.gz MREKVJADKNSRLF-JTQLQIEISA-N 0 0 182.267 1.670 10 0 ADAERN CNC(=S)c1nc2ccccc2o1 75856613 573714592 /nfs/dbraw/zinc/71/45/92/573714592.db2.gz JNBFGALLCJXTQP-UHFFFAOYSA-N 0 0 192.243 1.723 10 0 ADAERN O[C@H](Cc1ccoc1)C1(O)CCCC1 236552709 573714594 /nfs/dbraw/zinc/71/45/94/573714594.db2.gz SEQUUQBTZBMZLO-SNVBAGLBSA-N 0 0 196.246 1.488 10 0 ADAERN C[C@H](CO)n1c(=O)[nH]c2ccccc21 108268626 573714598 /nfs/dbraw/zinc/71/45/98/573714598.db2.gz BZEVNAMZFWVFPL-SSDOTTSWSA-N 0 0 192.218 1.295 10 0 ADAERN Cc1cc(C)c2c(n1)CC[C@H](O)C2 238492353 573714604 /nfs/dbraw/zinc/71/46/04/573714604.db2.gz XDGFXLATXVFUAZ-VIFPVBQESA-N 0 0 177.247 1.548 10 0 ADAERN c1cc([C@H]2CCOC2)ccn1 224595685 573714607 /nfs/dbraw/zinc/71/46/07/573714607.db2.gz AQAPMEAVRRAYJT-VIFPVBQESA-N 0 0 149.193 1.586 10 0 ADAERN NC1=N[C@H]([C@@H]2CC=CCC2)CO1 83964888 573714610 /nfs/dbraw/zinc/71/46/10/573714610.db2.gz ZXSQOAKNJQSCEV-SFYZADRCSA-N 0 0 166.224 1.056 10 0 ADAERN C[C@@H]1Cc2c(O)cccc2C[NH2+]1 238492853 573714627 /nfs/dbraw/zinc/71/46/27/573714627.db2.gz VSXFCSYURSZOQV-SSDOTTSWSA-N 0 0 163.220 1.426 10 0 ADAERN CNC(NC)c1cc(F)ccc1OC 259173317 573714630 /nfs/dbraw/zinc/71/46/30/573714630.db2.gz DKCUOLKQLPYXGO-UHFFFAOYSA-N 0 0 198.241 1.272 10 0 ADAERN Cc1cc(C)c2c(c1)[C@](C)(O)C(=O)N2 238492964 573714659 /nfs/dbraw/zinc/71/46/59/573714659.db2.gz CZBRGESACMBWSU-NSHDSACASA-N 0 0 191.230 1.463 10 0 ADAERN Cc1nc(C(F)F)c(CO)cc1N 238493003 573714676 /nfs/dbraw/zinc/71/46/76/573714676.db2.gz VUQREWFGMUHCNK-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC[C@H]1CCC[C@]2(COC(N)=N2)C1 83964759 573714677 /nfs/dbraw/zinc/71/46/77/573714677.db2.gz WCTKLMDHKBLVND-WCBMZHEXSA-N 0 0 182.267 1.670 10 0 ADAERN COC(=O)[C@H](C(C)C)C1(C)COC1 258512356 573714679 /nfs/dbraw/zinc/71/46/79/573714679.db2.gz GFMAZQHNLKSVNO-QMMMGPOBSA-N 0 0 186.251 1.468 10 0 ADAERN CC(C)(O)[C@@]12CCC(=O)[C@@H]1C2 197509097 573714683 /nfs/dbraw/zinc/71/46/83/573714683.db2.gz KQRFCIOGVOPDTJ-IMTBSYHQSA-N 0 0 154.209 1.127 10 0 ADAERN O[C@@]1(C2=CCCCC2)CCOC1 236547632 573714694 /nfs/dbraw/zinc/71/46/94/573714694.db2.gz HSHQBVDYJYXZJI-JTQLQIEISA-N 0 0 168.236 1.638 10 0 ADAERN Cc1cc(O)c2c(c1)SCC(=O)N2 238492438 573714704 /nfs/dbraw/zinc/71/47/04/573714704.db2.gz XOXDWRJQPPNMOX-UHFFFAOYSA-N 0 0 195.243 1.745 10 0 ADAERN Cc1nc(N)c(-c2ccncc2)[nH]1 83963691 573714709 /nfs/dbraw/zinc/71/47/09/573714709.db2.gz OAVHFNCQJQQYRV-UHFFFAOYSA-N 0 0 174.207 1.362 10 0 ADAERN O[C@H]1CCOC[C@@H]1CCC1CC1 236555795 573714723 /nfs/dbraw/zinc/71/47/23/573714723.db2.gz XTHUTOGGKRCMGJ-UWVGGRQHSA-N 0 0 170.252 1.574 10 0 ADAERN O[C@H](Cc1ccco1)CC1CC1 130866906 573714753 /nfs/dbraw/zinc/71/47/53/573714753.db2.gz OAGHNZMZEMRVGK-VIFPVBQESA-N 0 0 166.220 1.983 10 0 ADAERN NC1=N[C@@H]([C@@H]2CC=CCC2)CO1 83964892 573714754 /nfs/dbraw/zinc/71/47/54/573714754.db2.gz ZXSQOAKNJQSCEV-HTQZYQBOSA-N 0 0 166.224 1.056 10 0 ADAERN COC(=O)Cc1nc(C)c(C)c(C)n1 257854155 573714755 /nfs/dbraw/zinc/71/47/55/573714755.db2.gz POVGHFFMQCXQFS-UHFFFAOYSA-N 0 0 194.234 1.117 10 0 ADAERN C/C=C/[C@@H](O)/C=C/C(C)(C)O 238039242 573715537 /nfs/dbraw/zinc/71/55/37/573715537.db2.gz ZNHALAGUDWXUQG-VZJIETKXSA-N 0 0 156.225 1.251 10 0 ADAERN Cc1oc([C@H]2CCCCO2)nc1CO 238492603 573714759 /nfs/dbraw/zinc/71/47/59/573714759.db2.gz QLJYUNIXDFCTSN-SECBINFHSA-N 0 0 197.234 1.717 10 0 ADAERN CCSC1=NC=C(C)S1(=O)=O 257855309 573714766 /nfs/dbraw/zinc/71/47/66/573714766.db2.gz CZHCNVPBIAYUPE-UHFFFAOYSA-N 0 0 191.277 1.385 10 0 ADAERN C[C@@H](CO)n1c(=O)[nH]c2ccccc21 108268624 573714777 /nfs/dbraw/zinc/71/47/77/573714777.db2.gz BZEVNAMZFWVFPL-ZETCQYMHSA-N 0 0 192.218 1.295 10 0 ADAERN C[C@@]1(CNC(N)=O)C[C@H]2C=C[C@@H]1C2 238492918 573714807 /nfs/dbraw/zinc/71/48/07/573714807.db2.gz KGLGIDMXYNDXNG-XKSSXDPKSA-N 0 0 180.251 1.257 10 0 ADAERN C[C@@H]1CC(C)(C)C[C@]2(COC(N)=N2)C1 83964389 573714818 /nfs/dbraw/zinc/71/48/18/573714818.db2.gz PDDFROXIBJSXAU-KCJUWKMLSA-N 0 0 196.294 1.916 10 0 ADAERN C[C@]12CC(=O)C[C@@H]1CCC2=O 197505026 573714853 /nfs/dbraw/zinc/71/48/53/573714853.db2.gz GBUOPNDLFJSFEU-RCOVLWMOSA-N 0 0 152.193 1.335 10 0 ADAERN Cc1c(F)cccc1CON 238492593 573714867 /nfs/dbraw/zinc/71/48/67/573714867.db2.gz LGUOQYNWIDZESV-UHFFFAOYSA-N 0 0 155.172 1.524 10 0 ADAERN C[C@@H]1Cc2c(CO)cccc2N1 238492023 573714881 /nfs/dbraw/zinc/71/48/81/573714881.db2.gz GELYRPBTYJIRSX-SSDOTTSWSA-N 0 0 163.220 1.535 10 0 ADAERN COC[C@H]1COc2cccc(O)c2C1 257854985 573714884 /nfs/dbraw/zinc/71/48/84/573714884.db2.gz PSDYDAILVYGIEY-QMMMGPOBSA-N 0 0 194.230 1.590 10 0 ADAERN Cc1ccc([C@](C)([NH3+])CCO)c(F)c1 238493042 573714900 /nfs/dbraw/zinc/71/49/00/573714900.db2.gz ONKASHTYWYPXPP-LLVKDONJSA-N 0 0 197.253 1.690 10 0 ADAERN O[C@H]1CCOC[C@@H]1CC1CC1 236555706 573714946 /nfs/dbraw/zinc/71/49/46/573714946.db2.gz IOIVMQUGFXEYQC-IUCAKERBSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@@H]1SCCC[C@]1(C)O 86968402 573714950 /nfs/dbraw/zinc/71/49/50/573714950.db2.gz OOPVBURGTPTSEA-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN Nc1[nH+]c2ccccc2n1CC(F)F 124947683 573714955 /nfs/dbraw/zinc/71/49/55/573714955.db2.gz MLLXQRVIHBKKEZ-UHFFFAOYSA-N 0 0 197.188 1.884 10 0 ADAERN CCCC(C)(C)CNC(=O)C(C)=O 258889386 573714971 /nfs/dbraw/zinc/71/49/71/573714971.db2.gz HOKQJNSQTLVXJG-UHFFFAOYSA-N 0 0 185.267 1.518 10 0 ADAERN CCC[C@H]1C[C@]2(CCO1)COC(N)=N2 83964607 573714992 /nfs/dbraw/zinc/71/49/92/573714992.db2.gz LGDBUXNOQPJLSR-WCBMZHEXSA-N 0 0 198.266 1.049 10 0 ADAERN C[C@H]1CCCC[C@]12COC(N)=N2 83964620 573715003 /nfs/dbraw/zinc/71/50/03/573715003.db2.gz GGCKXSAZSZBMDY-CBAPKCEASA-N 0 0 168.240 1.280 10 0 ADAERN O[C@@H]1CC[C@@H]2N=CS[C@H]2C1 258098159 573715010 /nfs/dbraw/zinc/71/50/10/573715010.db2.gz UZOLXAJHYJJMKU-VQVTYTSYSA-N 0 0 157.238 1.044 10 0 ADAERN O[C@H](CC1CC1)C1(O)CCCC1 236556120 573715026 /nfs/dbraw/zinc/71/50/26/573715026.db2.gz IYBKOPBKFKAPHH-SECBINFHSA-N 0 0 170.252 1.453 10 0 ADAERN Cc1cn(C[Si](C)(C)C)nn1 238492901 573715031 /nfs/dbraw/zinc/71/50/31/573715031.db2.gz YXSKXOQRPVFAPS-UHFFFAOYSA-N 0 0 169.304 1.464 10 0 ADAERN Cc1ccc(N)cc1CCO 75856854 573715043 /nfs/dbraw/zinc/71/50/43/573715043.db2.gz AJMPEUPSPDJIGC-UHFFFAOYSA-N 0 0 151.209 1.112 10 0 ADAERN C[C@H]1C[C@]2(CC[C@H]1C)COC(N)=N2 83964741 573715057 /nfs/dbraw/zinc/71/50/57/573715057.db2.gz QURUWJJQPKGTPC-KHQFGBGNSA-N 0 0 182.267 1.526 10 0 ADAERN Cc1cncc([C@@H]2CC[NH2+]C[C@@H]2F)c1 238493240 573715060 /nfs/dbraw/zinc/71/50/60/573715060.db2.gz GOGFCVVDDBXJAB-QWRGUYRKSA-N 0 0 194.253 1.805 10 0 ADAERN CC1(C)CCC[C@]2(COC(N)=N2)C1 83964737 573715068 /nfs/dbraw/zinc/71/50/68/573715068.db2.gz QDAYYQMAXVSYOT-SNVBAGLBSA-N 0 0 182.267 1.670 10 0 ADAERN Cc1ccc(C[C@H]2CNC(=O)C2)cc1 238493278 573715139 /nfs/dbraw/zinc/71/51/39/573715139.db2.gz XGLKSNPXDGHWCZ-LLVKDONJSA-N 0 0 189.258 1.674 10 0 ADAERN C[C@@H]1SCCC[C@@]12COC(=O)N2 86969490 573715142 /nfs/dbraw/zinc/71/51/42/573715142.db2.gz DJGBPMFAZCXWQG-POYBYMJQSA-N 0 0 187.264 1.381 10 0 ADAERN O=Cc1nc(-c2cccnc2)co1 108277657 573715167 /nfs/dbraw/zinc/71/51/67/573715167.db2.gz IFFPZIQCCNTJQI-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN Cc1nc2c(N=O)cnn2c(N)c1C 238492599 573715183 /nfs/dbraw/zinc/71/51/83/573715183.db2.gz UVRDCKRRBJORKQ-UHFFFAOYSA-N 0 0 191.194 1.326 10 0 ADAERN OCC[C@H]1CC[C@@H](F)C1 108280536 573715187 /nfs/dbraw/zinc/71/51/87/573715187.db2.gz PWRSPPYRZMJKKI-RNFRBKRXSA-N 0 0 132.178 1.507 10 0 ADAERN OCCc1nc(C2CCOCC2)co1 258097211 573715191 /nfs/dbraw/zinc/71/51/91/573715191.db2.gz NOIXNFATPAXPOF-UHFFFAOYSA-N 0 0 197.234 1.103 10 0 ADAERN Cc1nccc2ccc(C=O)n12 238492590 573715221 /nfs/dbraw/zinc/71/52/21/573715221.db2.gz HKJDUDWYNZJAAY-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN CC1=CC[C@H](O)C1(C)C 197514444 573715233 /nfs/dbraw/zinc/71/52/33/573715233.db2.gz CHEZZVIBGVUXTL-ZETCQYMHSA-N 0 0 126.199 1.724 10 0 ADAERN C/C(=C/CC1=COCCO1)CO 215327320 573715234 /nfs/dbraw/zinc/71/52/34/573715234.db2.gz RCDVWNIQLWZNGP-WAPJZHGLSA-N 0 0 170.208 1.203 10 0 ADAERN C[C@@]1(CNC(N)=O)C[C@H]2C=C[C@@H]1CC2 238492900 573715246 /nfs/dbraw/zinc/71/52/46/573715246.db2.gz ZFVCQBCBRNJFOW-NGZCFLSTSA-N 0 0 194.278 1.647 10 0 ADAERN C/C=C/[C@@H](O[C@H](C)O)C(C)C 238040031 573715275 /nfs/dbraw/zinc/71/52/75/573715275.db2.gz HOIGIOONAAFGLS-JKKBLNIGSA-N 0 0 158.241 1.942 10 0 ADAERN OC[C@H](F)c1ccco1 108280390 573715296 /nfs/dbraw/zinc/71/52/96/573715296.db2.gz FOXSUCMSNHYONP-YFKPBYRVSA-N 0 0 130.118 1.283 10 0 ADAERN O=C(Cc1ncccn1)c1ccncc1 259173367 573715312 /nfs/dbraw/zinc/71/53/12/573715312.db2.gz OMDQINNIECSVLI-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN Cc1cc(O)c2c(c1O)COC2=O 238491990 573715325 /nfs/dbraw/zinc/71/53/25/573715325.db2.gz BRYFYZHWJZZLIS-UHFFFAOYSA-N 0 0 180.159 1.077 10 0 ADAERN CCn1cc(N)ccc1=S 108275607 573715332 /nfs/dbraw/zinc/71/53/32/573715332.db2.gz ABYREPVSJGDYLP-UHFFFAOYSA-N 0 0 154.238 1.820 10 0 ADAERN CC(C)c1cccc(CON)c1O 258097547 573715337 /nfs/dbraw/zinc/71/53/37/573715337.db2.gz XJPIQRMHBJMCLQ-UHFFFAOYSA-N 0 0 181.235 1.906 10 0 ADAERN Cc1cccc([C@@H]2C[C@H](C(=O)[O-])[NH2+]2)c1 257854164 573715342 /nfs/dbraw/zinc/71/53/42/573715342.db2.gz PPAOBBRHEHYSEP-VHSXEESVSA-N 0 0 191.230 1.483 10 0 ADAERN OC[C@@H]1CCC[C@@H](F)C1 108280507 573715378 /nfs/dbraw/zinc/71/53/78/573715378.db2.gz XGPBMLUFFUNKMS-RNFRBKRXSA-N 0 0 132.178 1.507 10 0 ADAERN C[C@H]1SCCC[C@]1(C)O 86968401 573715402 /nfs/dbraw/zinc/71/54/02/573715402.db2.gz OOPVBURGTPTSEA-RQJHMYQMSA-N 0 0 146.255 1.653 10 0 ADAERN Cc1cncc([C@@H]2CC[NH2+]C[C@H]2F)c1 238493252 573715426 /nfs/dbraw/zinc/71/54/26/573715426.db2.gz GOGFCVVDDBXJAB-WDEREUQCSA-N 0 0 194.253 1.805 10 0 ADAERN NC(=S)c1ccc2ncoc2c1 83963946 573715429 /nfs/dbraw/zinc/71/54/29/573715429.db2.gz NWSKSMNSXAQZPZ-UHFFFAOYSA-N 0 0 178.216 1.462 10 0 ADAERN COc1nnc(CC(C)(C)C)cc1N 257854523 573715433 /nfs/dbraw/zinc/71/54/33/573715433.db2.gz AGDRETRSHJNZEY-UHFFFAOYSA-N 0 0 195.266 1.656 10 0 ADAERN C[C@@H]1CCc2noc(N)c21 108280796 573715435 /nfs/dbraw/zinc/71/54/35/573715435.db2.gz HBQMUUIGIFVJMT-SCSAIBSYSA-N 0 0 138.170 1.307 10 0 ADAERN O=Cc1nc(-c2ccccn2)co1 108277670 573715442 /nfs/dbraw/zinc/71/54/42/573715442.db2.gz MEABWUDJKXXURX-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CC(=O)Nc1cccc2c1C[C@@H](C)O2 238492565 573715454 /nfs/dbraw/zinc/71/54/54/573715454.db2.gz HQWMKGJMIGDCRS-SSDOTTSWSA-N 0 0 191.230 1.968 10 0 ADAERN CCC[C@@H]1C[C@@]2(CCO1)COC(N)=N2 83964599 573715467 /nfs/dbraw/zinc/71/54/67/573715467.db2.gz LGDBUXNOQPJLSR-SCZZXKLOSA-N 0 0 198.266 1.049 10 0 ADAERN OCC/C=C\[C@H]1CCSC1 258097810 573715472 /nfs/dbraw/zinc/71/54/72/573715472.db2.gz GXLWCLKZZWMIEI-CJKINAQCSA-N 0 0 158.266 1.678 10 0 ADAERN COC[C@@H]1COc2cccc(O)c2C1 257854984 573715479 /nfs/dbraw/zinc/71/54/79/573715479.db2.gz PSDYDAILVYGIEY-MRVPVSSYSA-N 0 0 194.230 1.590 10 0 ADAERN OCCc1n[nH]cc1-c1ccccc1 75864533 573715486 /nfs/dbraw/zinc/71/54/86/573715486.db2.gz PJYKGGGFGUTWID-UHFFFAOYSA-N 0 0 188.230 1.612 10 0 ADAERN OCCc1ccc(-c2ncc[nH]2)cc1 258098474 573715500 /nfs/dbraw/zinc/71/55/00/573715500.db2.gz OORUKUIZFYKBCW-UHFFFAOYSA-N 0 0 188.230 1.612 10 0 ADAERN C=CC(=O)N[C@H]1CC=CCCC1 238039624 573715514 /nfs/dbraw/zinc/71/55/14/573715514.db2.gz OGDQYQNCFKZVBC-VIFPVBQESA-N 0 0 165.236 1.787 10 0 ADAERN O=Cc1ccccc1N1CCNC1=O 108268060 573715515 /nfs/dbraw/zinc/71/55/15/573715515.db2.gz VDNSPBMRNXXWPA-UHFFFAOYSA-N 0 0 190.202 1.029 10 0 ADAERN Cc1cc([C@@H]([NH3+])[C@H](C)O)c(F)cc1N 238487374 573731142 /nfs/dbraw/zinc/73/11/42/573731142.db2.gz ZEISEVGXEHJPFD-WKEGUHRASA-N 0 0 198.241 1.097 10 0 ADAERN C[C@@H](O)c1ccc(F)c(CO)c1 258109505 573731174 /nfs/dbraw/zinc/73/11/74/573731174.db2.gz YSEPHIJDILUXHU-ZCFIWIBFSA-N 0 0 170.183 1.371 10 0 ADAERN CC(C)CC[C@H](NN)C(F)F 97641056 573731176 /nfs/dbraw/zinc/73/11/76/573731176.db2.gz UCVSCYSJSNBSRH-LURJTMIESA-N 0 0 166.215 1.520 10 0 ADAERN Cc1ccc(N[C@@H](C)CCO)nc1 97635668 573731211 /nfs/dbraw/zinc/73/12/11/573731211.db2.gz OWALOXZKJUKGPT-VIFPVBQESA-N 0 0 180.251 1.573 10 0 ADAERN CCC[C@@]1(C)C(N)=NC(=O)N1C1CC1 87007660 573731853 /nfs/dbraw/zinc/73/18/53/573731853.db2.gz WCOJKNIZQWDMTD-JTQLQIEISA-N 0 0 195.266 1.710 10 0 ADAERN Cc1cc(CO)c(F)c(C(F)F)n1 238487555 573731226 /nfs/dbraw/zinc/73/12/26/573731226.db2.gz SJSVLPQZNIPMSY-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CCn1ncnc1CC1(O)CCCC1 83980677 573731228 /nfs/dbraw/zinc/73/12/28/573731228.db2.gz MDYSAJBFJACWPF-UHFFFAOYSA-N 0 0 195.266 1.146 10 0 ADAERN CC[C@H]1C[C@H](O)C[C@@H](C)O1 144707972 573731240 /nfs/dbraw/zinc/73/12/40/573731240.db2.gz NCFVPTVLXPKTQI-PRJMDXOYSA-N 0 0 144.214 1.325 10 0 ADAERN CCCN1C(=O)N=C(N)[C@H]1C1CC1 87008382 573731861 /nfs/dbraw/zinc/73/18/61/573731861.db2.gz JTYJCEMGCHFXJV-SSDOTTSWSA-N 0 0 181.239 1.177 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)CCNC2=O 238487644 573731254 /nfs/dbraw/zinc/73/12/54/573731254.db2.gz MKBMGGUBJSFLKK-JTQLQIEISA-N 0 0 191.230 1.162 10 0 ADAERN CN(C)c1ccc(NC(N)=O)c(F)c1 75903304 573731258 /nfs/dbraw/zinc/73/12/58/573731258.db2.gz ROFSZZYYSIJWCA-UHFFFAOYSA-N 0 0 197.213 1.382 10 0 ADAERN Cc1[nH]c(=S)nc2[nH]c(=S)[nH]c12 238488009 573731259 /nfs/dbraw/zinc/73/12/59/573731259.db2.gz KMEHRVAVNFKLFE-UHFFFAOYSA-N 0 0 198.276 1.987 10 0 ADAERN Cc1ccc(CCO)c(O)c1C 258112794 573731263 /nfs/dbraw/zinc/73/12/63/573731263.db2.gz ZEGYPHKTIBQQHI-UHFFFAOYSA-N 0 0 166.220 1.544 10 0 ADAERN C[C@H]1OC(=O)N[C@H]1c1nccs1 238488289 573731265 /nfs/dbraw/zinc/73/12/65/573731265.db2.gz NYZAIUBULVFCCN-RFZPGFLSSA-N 0 0 184.220 1.313 10 0 ADAERN NOCc1ccc(O)c(C(F)F)c1 258110922 573731283 /nfs/dbraw/zinc/73/12/83/573731283.db2.gz PPFZAFCNZVURLB-UHFFFAOYSA-N 0 0 189.161 1.720 10 0 ADAERN C[C@@H]1CN(C)c2cc(O)ccc2N1 258417472 573731290 /nfs/dbraw/zinc/73/12/90/573731290.db2.gz DNTBCHDXRKEQLT-SSDOTTSWSA-N 0 0 178.235 1.642 10 0 ADAERN COC(=O)/C(C)=C\[C@@H]1[C@H](C=O)C1(C)C 393558198 573731325 /nfs/dbraw/zinc/73/13/25/573731325.db2.gz ZLRNVTOXOLQYOK-ZONUIFDKSA-N 0 0 196.246 1.577 10 0 ADAERN CC1=C[C@@H](C)CC2=NCCN[C@H]12 238488239 573731347 /nfs/dbraw/zinc/73/13/47/573731347.db2.gz RAKDZGKSAPRPNV-GMSGAONNSA-N 0 0 164.252 1.385 10 0 ADAERN CCCC[C@@H]1COCC[C@@H]1O 224639401 573731363 /nfs/dbraw/zinc/73/13/63/573731363.db2.gz MWFVMVJSGGIDDJ-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN COCc1ccc(CCO)cc1OC 258110813 573731366 /nfs/dbraw/zinc/73/13/66/573731366.db2.gz PNUNYKISGMDJOD-UHFFFAOYSA-N 0 0 196.246 1.376 10 0 ADAERN C[C@H]1CO[C@H](O)CC(C)(C)C1 238487975 573731368 /nfs/dbraw/zinc/73/13/68/573731368.db2.gz IOHPZAOIFBJQLM-SFYZADRCSA-N 0 0 158.241 1.778 10 0 ADAERN C/C=C/[C@H](C)/C=C/CO 238051651 573731370 /nfs/dbraw/zinc/73/13/70/573731370.db2.gz FCYYMKARZCGSOA-YITODHPKSA-N 0 0 126.199 1.747 10 0 ADAERN C[C@]1(O)CCCC[C@@]12CC[C@@H]2C(N)=O 238488025 573731374 /nfs/dbraw/zinc/73/13/74/573731374.db2.gz OHEIJJJPVDPWMZ-MIMYLULJSA-N 0 0 197.278 1.193 10 0 ADAERN CCn1ncnc1C[C@H]1CCC[C@H]1O 83994538 573731382 /nfs/dbraw/zinc/73/13/82/573731382.db2.gz GMXZLDXUQUCIFQ-RKDXNWHRSA-N 0 0 195.266 1.002 10 0 ADAERN O=C1[C@H]2C[C@H]2CN1Cc1cccs1 257852486 573731406 /nfs/dbraw/zinc/73/14/06/573731406.db2.gz BJKFYEAGFZNCNN-CBAPKCEASA-N 0 0 193.271 1.726 10 0 ADAERN Cc1cc2c(cc1C(N)=S)OCO2 83983189 573731407 /nfs/dbraw/zinc/73/14/07/573731407.db2.gz IMIZEPIWZRZBEY-UHFFFAOYSA-N 0 0 195.243 1.358 10 0 ADAERN C[C@H]1CCCCC[C@@H](O)C(=O)C1 238487941 573731420 /nfs/dbraw/zinc/73/14/20/573731420.db2.gz KOOIFEKCWNPOKC-DTWKUNHWSA-N 0 0 170.252 1.907 10 0 ADAERN O=Cc1ccnn1-c1ccccc1O 257852575 573731421 /nfs/dbraw/zinc/73/14/21/573731421.db2.gz PGVHBXPEWDUTKL-UHFFFAOYSA-N 0 0 188.186 1.390 10 0 ADAERN OCc1cc([C@H]2CCCS2)on1 258417502 573731425 /nfs/dbraw/zinc/73/14/25/573731425.db2.gz DOBIHOBHNWMGRQ-MRVPVSSYSA-N 0 0 185.248 1.735 10 0 ADAERN Cc1cc(C(=O)[O-])cc(CC[NH3+])c1C 258111112 573731455 /nfs/dbraw/zinc/73/14/55/573731455.db2.gz PSEJKGJTJBIVGD-UHFFFAOYSA-N 0 0 193.246 1.503 10 0 ADAERN CCn1ncnc1C[C@@H]1CCC[C@H]1O 83994537 573731457 /nfs/dbraw/zinc/73/14/57/573731457.db2.gz GMXZLDXUQUCIFQ-DTWKUNHWSA-N 0 0 195.266 1.002 10 0 ADAERN Cc1cnc2c(c1)C(=O)COC2 238488176 573731464 /nfs/dbraw/zinc/73/14/64/573731464.db2.gz UEYZXBDZAMTXFK-UHFFFAOYSA-N 0 0 163.176 1.103 10 0 ADAERN Cc1nn(C)cc1N[C@@H]1COC[C@H]1C 687965482 573731472 /nfs/dbraw/zinc/73/14/72/573731472.db2.gz MAPJLANKUFZQAR-GMSGAONNSA-N 0 0 195.266 1.175 10 0 ADAERN CCOc1nc(N)cn1C(C)C 257852253 573731480 /nfs/dbraw/zinc/73/14/80/573731480.db2.gz BYKPSMDPOGEINF-UHFFFAOYSA-N 0 0 169.228 1.445 10 0 ADAERN CN1c2cccc(F)c2C[C@@H]1CCO 258110596 573731486 /nfs/dbraw/zinc/73/14/86/573731486.db2.gz IZNUUICTCUDUQL-QMMMGPOBSA-N 0 0 195.237 1.569 10 0 ADAERN COC(OC)c1ccnc(C)c1 144752358 573731491 /nfs/dbraw/zinc/73/14/91/573731491.db2.gz ZLSXWOBVQKAEJD-UHFFFAOYSA-N 0 0 167.208 1.681 10 0 ADAERN Cc1cc(C)c([C@H]2CCC(=O)N2)[nH]1 238487716 573731511 /nfs/dbraw/zinc/73/15/11/573731511.db2.gz OSOXDOSCZFDNFP-MRVPVSSYSA-N 0 0 178.235 1.583 10 0 ADAERN C[C@H](O)c1nccn2cccc12 258109815 573731513 /nfs/dbraw/zinc/73/15/13/573731513.db2.gz YYPAISSBZLHUJF-ZETCQYMHSA-N 0 0 162.192 1.388 10 0 ADAERN CC(C)n1ncnc1CC(C)(C)O 83980687 573731518 /nfs/dbraw/zinc/73/15/18/573731518.db2.gz GMTUYQBXGVLUNR-UHFFFAOYSA-N 0 0 183.255 1.172 10 0 ADAERN C[C@H]1COc2cc(C=O)ccc21 258111601 573731528 /nfs/dbraw/zinc/73/15/28/573731528.db2.gz OPOXVEZGYRQVQE-ZETCQYMHSA-N 0 0 162.188 1.995 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@@H]1CCCCO1 257851877 573731543 /nfs/dbraw/zinc/73/15/43/573731543.db2.gz PCTACXKNLBFHJJ-SFYZADRCSA-N 0 0 194.221 1.962 10 0 ADAERN COC(=O)/C(C)=C\[C@@H]1[C@@H](C=O)C1(C)C 393558197 573731544 /nfs/dbraw/zinc/73/15/44/573731544.db2.gz ZLRNVTOXOLQYOK-XOPPAYCJSA-N 0 0 196.246 1.577 10 0 ADAERN C[C@@H]1CCC[C@H]([C@H]2NC(=O)N=C2N)C1 86995176 573731588 /nfs/dbraw/zinc/73/15/88/573731588.db2.gz NYCWCGMQAAHZJT-GJMOJQLCSA-N 0 0 195.266 1.471 10 0 ADAERN C[C@]1(C2CC2)C(N)=NC(=O)N1C1CC1 87007633 573731600 /nfs/dbraw/zinc/73/16/00/573731600.db2.gz SFTJKUBSMATDJJ-JTQLQIEISA-N 0 0 193.250 1.320 10 0 ADAERN C[C@@H]1C(=O)NC(=O)N1C1=CCCCC1 238488128 573731615 /nfs/dbraw/zinc/73/16/15/573731615.db2.gz LLDGVFLCWAUPRV-SSDOTTSWSA-N 0 0 194.234 1.385 10 0 ADAERN C[C@@H]1CCC[C@]2(C1)NC(=O)N=C2N 87007498 573731632 /nfs/dbraw/zinc/73/16/32/573731632.db2.gz BBGLZHLLJVFMHE-HZGVNTEJSA-N 0 0 181.239 1.225 10 0 ADAERN Cc1ccc(CN2NCCC2=O)cc1 257851854 573731637 /nfs/dbraw/zinc/73/16/37/573731637.db2.gz PBSRCKHSZXZURQ-UHFFFAOYSA-N 0 0 190.246 1.232 10 0 ADAERN CCc1cn2c(n1)CC[C@H](CO)C2 258112891 573731666 /nfs/dbraw/zinc/73/16/66/573731666.db2.gz CFMHZMUNXWRJRW-QMMMGPOBSA-N 0 0 180.251 1.000 10 0 ADAERN COc1cc(C)c(O)cc1C(C)(C)O 258111021 573731675 /nfs/dbraw/zinc/73/16/75/573731675.db2.gz PQBZILKBBLRWDM-UHFFFAOYSA-N 0 0 196.246 1.937 10 0 ADAERN Cc1nc([C@H](NN)C2CC2)cs1 97747905 573731678 /nfs/dbraw/zinc/73/16/78/573731678.db2.gz PWQXETLBWZTWEX-MRVPVSSYSA-N 0 0 183.280 1.366 10 0 ADAERN COC(=O)C(F)(F)[C@H]1CCCCO1 257852577 573731680 /nfs/dbraw/zinc/73/16/80/573731680.db2.gz PGVNVEHFEDAILA-ZCFIWIBFSA-N 0 0 194.177 1.364 10 0 ADAERN Cc1cccc([C@H]2NC(=O)N=C2N)c1 86995252 573731681 /nfs/dbraw/zinc/73/16/81/573731681.db2.gz NZUSCIRHLSBADO-MRVPVSSYSA-N 0 0 189.218 1.326 10 0 ADAERN CCC(CC)[C@@H]1NC(=O)N=C1N 87007568 573731687 /nfs/dbraw/zinc/73/16/87/573731687.db2.gz TWXWOSTZELHEQQ-LURJTMIESA-N 0 0 169.228 1.081 10 0 ADAERN CNOCCC[C@@H]1CCCO1 258109767 573731688 /nfs/dbraw/zinc/73/16/88/573731688.db2.gz YPMVWSAQSNRNJA-QMMMGPOBSA-N 0 0 159.229 1.097 10 0 ADAERN CCc1nnc(C)cc1[C@@H](CC)NN 97684518 573731698 /nfs/dbraw/zinc/73/16/98/573731698.db2.gz YQWIKVGUJZGZFA-SECBINFHSA-N 0 0 194.282 1.262 10 0 ADAERN C[C@@H](O)Cc1c(F)ccc2c1OCO2 258110894 573731708 /nfs/dbraw/zinc/73/17/08/573731708.db2.gz POUZEMRLCYTTDL-ZCFIWIBFSA-N 0 0 198.193 1.478 10 0 ADAERN Cc1nc([C@@H](NN)C2CC2)cs1 97747906 573731712 /nfs/dbraw/zinc/73/17/12/573731712.db2.gz PWQXETLBWZTWEX-QMMMGPOBSA-N 0 0 183.280 1.366 10 0 ADAERN CCCSC[C@H]1CCC(=O)N1 144764947 573731713 /nfs/dbraw/zinc/73/17/13/573731713.db2.gz FOWCKCFWGWTYDH-SSDOTTSWSA-N 0 0 173.281 1.408 10 0 ADAERN COc1cc(CO)cs1 144775922 573731736 /nfs/dbraw/zinc/73/17/36/573731736.db2.gz WZJBTFLISBTKKB-UHFFFAOYSA-N 0 0 144.195 1.249 10 0 ADAERN C[C@H]1C[C@]1(C)CNN1CCC1 714735010 573731738 /nfs/dbraw/zinc/73/17/38/573731738.db2.gz NBQONHGEWPQDJG-DTWKUNHWSA-N 0 0 154.257 1.243 10 0 ADAERN CCC[C@H]1C(N)=NC(=O)N1C1CC1 87007907 573731739 /nfs/dbraw/zinc/73/17/39/573731739.db2.gz OWLLUHHRJDYDLA-ZETCQYMHSA-N 0 0 181.239 1.320 10 0 ADAERN COc1cc(C)cc(C[C@H](C)O)c1O 258111122 573731767 /nfs/dbraw/zinc/73/17/67/573731767.db2.gz PSGPZCUVVGZWNS-QMMMGPOBSA-N 0 0 196.246 1.633 10 0 ADAERN O=C1[C@H]2O[C@H]2C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12 144782093 573731785 /nfs/dbraw/zinc/73/17/85/573731785.db2.gz VSNOVRSVTDJAKY-QBTZHLMHSA-N 0 0 176.215 1.165 10 0 ADAERN CC[C@@H](NN)[C@@H]1Cc2ccccc2O1 97628458 573731798 /nfs/dbraw/zinc/73/17/98/573731798.db2.gz MNIITQQTSGDTQQ-KOLCDFICSA-N 0 0 192.262 1.232 10 0 ADAERN O=C1NC[C@@H](c2ccc(Cl)o2)O1 258112710 573731808 /nfs/dbraw/zinc/73/18/08/573731808.db2.gz CEBPPNYAXXHJDZ-YFKPBYRVSA-N 0 0 187.582 1.714 10 0 ADAERN CCC(CC)[C@H]1NC(=O)N=C1N 87007566 573731826 /nfs/dbraw/zinc/73/18/26/573731826.db2.gz TWXWOSTZELHEQQ-ZCFIWIBFSA-N 0 0 169.228 1.081 10 0 ADAERN c1nc2c(cc1C1CC1)CCN2 144752280 573731839 /nfs/dbraw/zinc/73/18/39/573731839.db2.gz ZXKSXCPVNJHTQG-UHFFFAOYSA-N 0 0 160.220 1.927 10 0 ADAERN C[C@@H]1CC[C@@H](C)[C@]2(C1)NC(=O)N=C2N 86994585 573732611 /nfs/dbraw/zinc/73/26/11/573732611.db2.gz RTAHPZUMJUOYJA-XSSZXYGBSA-N 0 0 195.266 1.471 10 0 ADAERN Cc1ncsc1[C@H](NN)C1CC1 97747845 573732614 /nfs/dbraw/zinc/73/26/14/573732614.db2.gz AKYAXSPQUAPWCP-SSDOTTSWSA-N 0 0 183.280 1.366 10 0 ADAERN CC[C@@H]1CCC[C@@]2(C1)NC(=O)N=C2N 87007432 573732629 /nfs/dbraw/zinc/73/26/29/573732629.db2.gz GBUVOGVDUDYSAH-XCBNKYQSSA-N 0 0 195.266 1.615 10 0 ADAERN COC(=O)[C@@]1(C)CCCC(C)(C)N1 258109780 573731872 /nfs/dbraw/zinc/73/18/72/573731872.db2.gz YXWUQMKXSLXBKO-SNVBAGLBSA-N 0 0 185.267 1.470 10 0 ADAERN C[C@H]1CCCC[C@]12NC(=O)N=C2N 87007176 573731879 /nfs/dbraw/zinc/73/18/79/573731879.db2.gz JHCJVNZAVJBIIW-RCOVLWMOSA-N 0 0 181.239 1.225 10 0 ADAERN CC[C@@]1(C)C(N)=NC(=O)N1CC(C)C 87008519 573731890 /nfs/dbraw/zinc/73/18/90/573731890.db2.gz VHJBKQFKLSRFGP-JTQLQIEISA-N 0 0 197.282 1.814 10 0 ADAERN C[C@@H](O)CCCC1(O)CCCC1 257851599 573731891 /nfs/dbraw/zinc/73/18/91/573731891.db2.gz BGGWQDIZRMRENC-SECBINFHSA-N 0 0 172.268 1.843 10 0 ADAERN COc1ccc(F)c(C2=NCCN2)c1 75898893 573731897 /nfs/dbraw/zinc/73/18/97/573731897.db2.gz NSLDLENSMZKJCJ-UHFFFAOYSA-N 0 0 194.209 1.184 10 0 ADAERN CC(C)[C@]1(C)C(N)=NC(=O)N1C1CC1 87007873 573731900 /nfs/dbraw/zinc/73/19/00/573731900.db2.gz JODYOXGKPYJFKN-SNVBAGLBSA-N 0 0 195.266 1.566 10 0 ADAERN CCC[C@@H](C)[C@H](CC)NN 97684450 573731914 /nfs/dbraw/zinc/73/19/14/573731914.db2.gz QNRIVSXKFDYBHS-SFYZADRCSA-N 0 0 144.262 1.665 10 0 ADAERN O=C([O-])[C@@H]1[NH2+]CC[C@@H]1C1CCCCC1 83983515 573731918 /nfs/dbraw/zinc/73/19/18/573731918.db2.gz FMXXVXZXZFKHRJ-NXEZZACHSA-N 0 0 197.278 1.629 10 0 ADAERN CCCN1C(=O)N=C(N)C12CCCC2 87008177 573731926 /nfs/dbraw/zinc/73/19/26/573731926.db2.gz DCDKGDZJQSJCTQ-UHFFFAOYSA-N 0 0 195.266 1.712 10 0 ADAERN C[C@]1(C2CCCC2)NC(=O)N=C1N 87007391 573731932 /nfs/dbraw/zinc/73/19/32/573731932.db2.gz JNXRAXCVVSXXTC-SECBINFHSA-N 0 0 181.239 1.225 10 0 ADAERN CC[C@H]1C(N)=NC(=O)N1CC(C)C 87008516 573731938 /nfs/dbraw/zinc/73/19/38/573731938.db2.gz NSQFEGUVGYHVGP-ZETCQYMHSA-N 0 0 183.255 1.423 10 0 ADAERN CC(C)CN1C(=O)N=C(N)C12CCC2 87008567 573731943 /nfs/dbraw/zinc/73/19/43/573731943.db2.gz HWXONRKJSOYYSE-UHFFFAOYSA-N 0 0 195.266 1.568 10 0 ADAERN C[C@@H]1CCCC[C@]12NC(=O)N=C2N 87007173 573731952 /nfs/dbraw/zinc/73/19/52/573731952.db2.gz JHCJVNZAVJBIIW-MUWHJKNJSA-N 0 0 181.239 1.225 10 0 ADAERN CN(C)c1cccc(F)c1NC(N)=O 75903273 573731966 /nfs/dbraw/zinc/73/19/66/573731966.db2.gz WEDSOGILMUIMAZ-UHFFFAOYSA-N 0 0 197.213 1.382 10 0 ADAERN NC1=NC(=O)NC12CCCCCCC2 86994987 573731967 /nfs/dbraw/zinc/73/19/67/573731967.db2.gz HKKYQEQMHVOJAR-UHFFFAOYSA-N 0 0 195.266 1.760 10 0 ADAERN CC1CCC2(CC1)NC(=O)N=C2N 87007034 573731976 /nfs/dbraw/zinc/73/19/76/573731976.db2.gz ZTZWDCIYFZMREM-UHFFFAOYSA-N 0 0 181.239 1.225 10 0 ADAERN CC(=O)NCc1ncn2ccsc12 144745748 573731990 /nfs/dbraw/zinc/73/19/90/573731990.db2.gz JKQUNGQLYYGCRD-UHFFFAOYSA-N 0 0 195.247 1.032 10 0 ADAERN CC(C)C[C@H](C)[C@@H]1COC[C@H]1O 687965502 573731991 /nfs/dbraw/zinc/73/19/91/573731991.db2.gz HFKRLFXCWCPILS-LPEHRKFASA-N 0 0 172.268 1.676 10 0 ADAERN NC1=NC(=O)N[C@H]1c1cccc(F)c1 86994522 573731994 /nfs/dbraw/zinc/73/19/94/573731994.db2.gz PSXDVCRKNKMUBZ-ZETCQYMHSA-N 0 0 193.181 1.157 10 0 ADAERN C[C@H]1CCC[C@@]2(CC1)NC(=O)N=C2N 86995156 573732000 /nfs/dbraw/zinc/73/20/00/573732000.db2.gz MWQATTGXARGDTE-XVKPBYJWSA-N 0 0 195.266 1.615 10 0 ADAERN Cc1ccccc1[C@@H]1NC(=O)N=C1N 86995249 573732007 /nfs/dbraw/zinc/73/20/07/573732007.db2.gz DIUYYMONZJSAKP-QMMMGPOBSA-N 0 0 189.218 1.326 10 0 ADAERN CCC[C@]1(C)C(N)=NC(=O)N1C 87008772 573732012 /nfs/dbraw/zinc/73/20/12/573732012.db2.gz ZKFGRGRDAMSNON-MRVPVSSYSA-N 0 0 169.228 1.177 10 0 ADAERN OCC1(CNc2cccnc2)CC1 258896780 573732021 /nfs/dbraw/zinc/73/20/21/573732021.db2.gz KOQJMAMGCAOWMD-UHFFFAOYSA-N 0 0 178.235 1.266 10 0 ADAERN CC(C)c1cc([C@@H](F)CO)no1 108290307 573732023 /nfs/dbraw/zinc/73/20/23/573732023.db2.gz OFDIKODZGIACEZ-LURJTMIESA-N 0 0 173.187 1.801 10 0 ADAERN CNC(=S)N1CCCC1(C)C 122397582 573732024 /nfs/dbraw/zinc/73/20/24/573732024.db2.gz MRMFLBIZPGLWKH-UHFFFAOYSA-N 0 0 172.297 1.365 10 0 ADAERN NOCc1ccccc1-n1cccn1 258110902 573732025 /nfs/dbraw/zinc/73/20/25/573732025.db2.gz POXORYYHDPELGO-UHFFFAOYSA-N 0 0 189.218 1.263 10 0 ADAERN CN1C(=O)N=C(N)[C@H]1[C@@H]1CC=CCC1 87009048 573732031 /nfs/dbraw/zinc/73/20/31/573732031.db2.gz UGOSUEHZHHXDIL-HTQZYQBOSA-N 0 0 193.250 1.344 10 0 ADAERN Cc1cc2c3ccccc3nc(N)n2n1 258112387 573732034 /nfs/dbraw/zinc/73/20/34/573732034.db2.gz ZDBRJBRGDTUWPP-UHFFFAOYSA-N 0 0 198.229 1.773 10 0 ADAERN CCC[C@H](C)[C@@H]1NC(=O)N=C1N 87007350 573732036 /nfs/dbraw/zinc/73/20/36/573732036.db2.gz BHXTYNVWPVOEIR-WDSKDSINSA-N 0 0 169.228 1.081 10 0 ADAERN CNCC(F)(F)c1cccc(O)c1 257851982 573732047 /nfs/dbraw/zinc/73/20/47/573732047.db2.gz RYKIHAVPSBODJB-UHFFFAOYSA-N 0 0 187.189 1.703 10 0 ADAERN C/C=C/C=C/C(=O)N(C)CCSC 393557224 573732067 /nfs/dbraw/zinc/73/20/67/573732067.db2.gz WEKCJOQQPOQBKI-YTXTXJHMSA-N 0 0 199.319 1.940 10 0 ADAERN CCCN1C(=O)N=C(N)[C@H]1C(C)C 87008374 573732084 /nfs/dbraw/zinc/73/20/84/573732084.db2.gz RSMQDVZEANRCGL-SSDOTTSWSA-N 0 0 183.255 1.423 10 0 ADAERN CN(C)c1ccc(F)c(NC(N)=O)c1 75903271 573732085 /nfs/dbraw/zinc/73/20/85/573732085.db2.gz AXCDTPDTZSZUQE-UHFFFAOYSA-N 0 0 197.213 1.382 10 0 ADAERN CC(C)[C@@]1(C)C(N)=NC(=O)N1C1CC1 87007876 573732091 /nfs/dbraw/zinc/73/20/91/573732091.db2.gz JODYOXGKPYJFKN-JTQLQIEISA-N 0 0 195.266 1.566 10 0 ADAERN Cc1nc(C2CC2)nc(C)c1CO 258112324 573732092 /nfs/dbraw/zinc/73/20/92/573732092.db2.gz VQUJVSQNKOBCAP-UHFFFAOYSA-N 0 0 178.235 1.463 10 0 ADAERN COC(=O)[C@H](O)c1ccc(CF)cc1 258111123 573732099 /nfs/dbraw/zinc/73/20/99/573732099.db2.gz PSGZOHAWQLLIFO-SECBINFHSA-N 0 0 198.193 1.363 10 0 ADAERN C[C@H](O)Cc1c(F)ccc2c1OCO2 258110889 573732103 /nfs/dbraw/zinc/73/21/03/573732103.db2.gz POUZEMRLCYTTDL-LURJTMIESA-N 0 0 198.193 1.478 10 0 ADAERN CCC[C@@H](C)[C@@H]1NC(=O)N=C1N 87007348 573732104 /nfs/dbraw/zinc/73/21/04/573732104.db2.gz BHXTYNVWPVOEIR-RITPCOANSA-N 0 0 169.228 1.081 10 0 ADAERN C[C@@H]1CC[C@]2(NC(=O)N=C2N)[C@H](C)C1 86994887 573732162 /nfs/dbraw/zinc/73/21/62/573732162.db2.gz XMIBADCLBKBXCS-XSSZXYGBSA-N 0 0 195.266 1.471 10 0 ADAERN Cc1c(F)ccc2c1OCC[C@H]2O 238489915 573732163 /nfs/dbraw/zinc/73/21/63/573732163.db2.gz MDOVCQYJBMHXQV-SECBINFHSA-N 0 0 182.194 1.950 10 0 ADAERN Nc1ccc(F)cc1[C@H]1C[NH2+]CCO1 144720312 573732181 /nfs/dbraw/zinc/73/21/81/573732181.db2.gz ZJZGSHSOTLNDFH-SNVBAGLBSA-N 0 0 196.225 1.069 10 0 ADAERN C[C@@H]1C[C@@]1(C)CNN1CCC1 714735009 573732185 /nfs/dbraw/zinc/73/21/85/573732185.db2.gz NBQONHGEWPQDJG-BDAKNGLRSA-N 0 0 154.257 1.243 10 0 ADAERN CC(C)CC[C@]1(C)C(N)=NC(=O)N1C 87009254 573732186 /nfs/dbraw/zinc/73/21/86/573732186.db2.gz MVRNYRSHKMZUJG-SNVBAGLBSA-N 0 0 197.282 1.814 10 0 ADAERN S=C1N=NCN1CC1(C2CC2)CC1 236647990 573732195 /nfs/dbraw/zinc/73/21/95/573732195.db2.gz VYUHSNWAIPTYJD-UHFFFAOYSA-N 0 0 195.291 1.757 10 0 ADAERN C[C@@H]1CNc2ncc(Cl)n2C1 108289764 573732200 /nfs/dbraw/zinc/73/22/00/573732200.db2.gz HCSRHOMMNLBVQB-RXMQYKEDSA-N 0 0 171.631 1.598 10 0 ADAERN CC[C@@H]1CCCC[C@@]12NC(=O)N=C2N 86994759 573732212 /nfs/dbraw/zinc/73/22/12/573732212.db2.gz YNICZVNHINEMDW-GMSGAONNSA-N 0 0 195.266 1.615 10 0 ADAERN C=C=C(CO)C(C)(C)C 144788098 573732220 /nfs/dbraw/zinc/73/22/20/573732220.db2.gz OUJFTJBYQIUCJM-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN C[C@@H]1CCC[C@]2(NC(=O)N=C2N)[C@@H]1C 86994900 573732241 /nfs/dbraw/zinc/73/22/41/573732241.db2.gz WIDMVLAROJPTEK-XSSZXYGBSA-N 0 0 195.266 1.471 10 0 ADAERN CC(C)(C)c1nc2c(o1)CC[C@H](O)C2 258112539 573732261 /nfs/dbraw/zinc/73/22/61/573732261.db2.gz VSHJHVIOBBPTMW-ZETCQYMHSA-N 0 0 195.262 1.822 10 0 ADAERN Cc1noc(-n2cccc2C=O)c1C 238489171 573732271 /nfs/dbraw/zinc/73/22/71/573732271.db2.gz KELCMMKFTJPFQH-UHFFFAOYSA-N 0 0 190.202 1.895 10 0 ADAERN CN1C(=O)N=C(N)[C@H]1C1CCCCC1 87008959 573732272 /nfs/dbraw/zinc/73/22/72/573732272.db2.gz OVQRIZGEOJKZNP-MRVPVSSYSA-N 0 0 195.266 1.568 10 0 ADAERN CCO[P@@]1(=O)CC[C@H](CO)CO1 144714162 573732273 /nfs/dbraw/zinc/73/22/73/573732273.db2.gz XMWZZCAFNVDRNB-KRTXAFLBSA-N 0 0 194.167 1.245 10 0 ADAERN C[C@H]1CSC(=O)NC1=S 238489807 573732280 /nfs/dbraw/zinc/73/22/80/573732280.db2.gz DGZKCFVJLFHALA-VKHMYHEASA-N 0 0 161.251 1.406 10 0 ADAERN CC(C)[C@]1(C)C(N)=NC(=O)N1C 87009167 573732288 /nfs/dbraw/zinc/73/22/88/573732288.db2.gz SNNKPSTXPGTEIW-MRVPVSSYSA-N 0 0 169.228 1.033 10 0 ADAERN O=C1C=C(O)C2(CCCCC2)N1 224626648 573732295 /nfs/dbraw/zinc/73/22/95/573732295.db2.gz DKZCFWPHEIPPJB-UHFFFAOYSA-N 0 0 167.208 1.261 10 0 ADAERN CCCC[C@]1(CC)C(N)=NC(=O)N1C 87009082 573732298 /nfs/dbraw/zinc/73/22/98/573732298.db2.gz APPDCPOEALOEQS-SNVBAGLBSA-N 0 0 197.282 1.958 10 0 ADAERN CC(C)C[C@H](C)[C@@H]1COC[C@@H]1O 687965499 573732304 /nfs/dbraw/zinc/73/23/04/573732304.db2.gz HFKRLFXCWCPILS-GUBZILKMSA-N 0 0 172.268 1.676 10 0 ADAERN CCCN1C(=O)N=C(N)C1(C)C 87008304 573732324 /nfs/dbraw/zinc/73/23/24/573732324.db2.gz LPOGKBJQTITQLB-UHFFFAOYSA-N 0 0 169.228 1.177 10 0 ADAERN Cc1cccc([C@@H]2NC(=O)N=C2N)c1 86995253 573732334 /nfs/dbraw/zinc/73/23/34/573732334.db2.gz NZUSCIRHLSBADO-QMMMGPOBSA-N 0 0 189.218 1.326 10 0 ADAERN C[C@@H]1C[C@](CO)(c2ccccc2)CO1 238488861 573732340 /nfs/dbraw/zinc/73/23/40/573732340.db2.gz ROXIFVLVKQCPHM-ZYHUDNBSSA-N 0 0 192.258 1.726 10 0 ADAERN CN(C)c1ccc(NC(N)=O)cc1F 75903302 573732342 /nfs/dbraw/zinc/73/23/42/573732342.db2.gz VYIBTMOHYZJQAE-UHFFFAOYSA-N 0 0 197.213 1.382 10 0 ADAERN CCC[C@H](NN)[C@H](OC)C1CC1 97650643 573732352 /nfs/dbraw/zinc/73/23/52/573732352.db2.gz IBVUTZHHUJXBOF-DTWKUNHWSA-N 0 0 172.272 1.043 10 0 ADAERN CC[C@@]1(O)CCCCC[C@H](O)C1 144707821 573732375 /nfs/dbraw/zinc/73/23/75/573732375.db2.gz WOJCQKYVONPOSP-VHSXEESVSA-N 0 0 172.268 1.843 10 0 ADAERN C[C@@H](O)c1nccn2cccc12 258109812 573732376 /nfs/dbraw/zinc/73/23/76/573732376.db2.gz YYPAISSBZLHUJF-SSDOTTSWSA-N 0 0 162.192 1.388 10 0 ADAERN CN(C)c1cccc(NC(N)=O)c1F 75903272 573732378 /nfs/dbraw/zinc/73/23/78/573732378.db2.gz BHTXTMOBYNUBDE-UHFFFAOYSA-N 0 0 197.213 1.382 10 0 ADAERN NOCCc1cc(F)cc(Cl)c1 258110940 573732384 /nfs/dbraw/zinc/73/23/84/573732384.db2.gz PPIUDXCRJAYYEG-UHFFFAOYSA-N 0 0 189.617 1.912 10 0 ADAERN CC1(C)CCC[C@@]2(C1)NC(=O)N=C2N 86994528 573732393 /nfs/dbraw/zinc/73/23/93/573732393.db2.gz NZBDHLYOWXWKCF-JTQLQIEISA-N 0 0 195.266 1.615 10 0 ADAERN C/C=C/CC[C@@H](O)CCOC 238329956 573732398 /nfs/dbraw/zinc/73/23/98/573732398.db2.gz ASPCWMOAGBIXAQ-CDAZIORVSA-N 0 0 158.241 1.740 10 0 ADAERN Cn1ccc2cc(F)ccc2c1=O 144724411 573732409 /nfs/dbraw/zinc/73/24/09/573732409.db2.gz CDBADYCGQJODIR-UHFFFAOYSA-N 0 0 177.178 1.678 10 0 ADAERN CC[C@H](C)[C@H]1C(N)=NC(=O)N1C1CC1 87007693 573732440 /nfs/dbraw/zinc/73/24/40/573732440.db2.gz XBSZJSLGCHNDRF-XPUUQOCRSA-N 0 0 195.266 1.566 10 0 ADAERN CCC[C@@]1(C)C(N)=NC(=O)N1C 87008774 573732447 /nfs/dbraw/zinc/73/24/47/573732447.db2.gz ZKFGRGRDAMSNON-QMMMGPOBSA-N 0 0 169.228 1.177 10 0 ADAERN O[C@H](C(F)F)[C@@H]1CCSC1 224639761 573732454 /nfs/dbraw/zinc/73/24/54/573732454.db2.gz BHYYCQPEGVLSQT-UHNVWZDZSA-N 0 0 168.208 1.366 10 0 ADAERN COc1ccccc1[C@@H](F)CO 108288693 573732461 /nfs/dbraw/zinc/73/24/61/573732461.db2.gz SGEHYVQAAUMSMO-QMMMGPOBSA-N 0 0 170.183 1.698 10 0 ADAERN Cc1cc2c(cn1)CCC[C@H]2O 238489856 573732470 /nfs/dbraw/zinc/73/24/70/573732470.db2.gz XQLLGZWFOXZFJI-SNVBAGLBSA-N 0 0 163.220 1.760 10 0 ADAERN CC(C)Cn1ncnc1CC(C)(C)O 83980686 573732472 /nfs/dbraw/zinc/73/24/72/573732472.db2.gz BICZLGXSUFJHPC-UHFFFAOYSA-N 0 0 197.282 1.248 10 0 ADAERN CC1(C)CCC[C@@]12NC(=O)N=C2N 86994454 573732486 /nfs/dbraw/zinc/73/24/86/573732486.db2.gz SNPQSMMKGWKETD-VIFPVBQESA-N 0 0 181.239 1.225 10 0 ADAERN C[C@@]1(CCCO)CCC=C[C@@H]1O 238489903 573732501 /nfs/dbraw/zinc/73/25/01/573732501.db2.gz RIWXCXBMOGRHSW-UWVGGRQHSA-N 0 0 170.252 1.476 10 0 ADAERN CC[C@@H](C)[C@H]1C(N)=NC(=O)N1C1CC1 87007685 573732514 /nfs/dbraw/zinc/73/25/14/573732514.db2.gz XBSZJSLGCHNDRF-SVRRBLITSA-N 0 0 195.266 1.566 10 0 ADAERN O=Cc1c(F)ccc2c1OCC2 258111896 573732589 /nfs/dbraw/zinc/73/25/89/573732589.db2.gz YZDXBJXELJNWJF-UHFFFAOYSA-N 0 0 166.151 1.573 10 0 ADAERN CC(=O)NC1(C(C)=O)CCCCC1 238071786 573739659 /nfs/dbraw/zinc/73/96/59/573739659.db2.gz NEBHLXQOTDFECV-UHFFFAOYSA-N 0 0 183.251 1.414 10 0 ADAERN CC[C@@H](C)[C@@]1(C)C(N)=NC(=O)N1C 87009303 573739661 /nfs/dbraw/zinc/73/96/61/573739661.db2.gz CGOBPEZWYZRPBK-MUWHJKNJSA-N 0 0 183.255 1.423 10 0 ADAERN C[C@@H](C[C@@H]([NH3+])c1cc[nH]c1)C(=O)[O-] 259564259 573739664 /nfs/dbraw/zinc/73/96/64/573739664.db2.gz YEIZOHHSSOCWQT-POYBYMJQSA-N 0 0 182.223 1.125 10 0 ADAERN CCN1c2c(N)cccc2NC[C@@H]1C 258420481 573739665 /nfs/dbraw/zinc/73/96/65/573739665.db2.gz DUIOYWQCHAMSQJ-QMMMGPOBSA-N 0 0 191.278 1.909 10 0 ADAERN NNCc1cccc(C2CC2)c1 87012257 573739667 /nfs/dbraw/zinc/73/96/67/573739667.db2.gz KOSNTSDBBWLCHU-UHFFFAOYSA-N 0 0 162.236 1.527 10 0 ADAERN NC(=O)[C@H]([NH3+])c1cccc(C2CC2)c1 87012203 573739683 /nfs/dbraw/zinc/73/96/83/573739683.db2.gz PMQOVYRVRQNZGM-SNVBAGLBSA-N 0 0 190.246 1.049 10 0 ADAERN CN1c2c(N)cccc2NCC1(C)C 259174458 573739688 /nfs/dbraw/zinc/73/96/88/573739688.db2.gz JELAWDNDIYGDLW-UHFFFAOYSA-N 0 0 191.278 1.909 10 0 ADAERN CC[C@@H]1C(N)=NC(=O)N1C(C)C 87010370 573739693 /nfs/dbraw/zinc/73/96/93/573739693.db2.gz GFQULPDDWSBQPC-ZCFIWIBFSA-N 0 0 169.228 1.176 10 0 ADAERN Cc1ccc([C@H](N)c2nc[nH]n2)s1 84009020 573739705 /nfs/dbraw/zinc/73/97/05/573739705.db2.gz XXWWXPBVSVWWOZ-ZETCQYMHSA-N 0 0 194.263 1.223 10 0 ADAERN C[C@@]1(O)CCCC[C@@H](O)CC1 238500253 573739000 /nfs/dbraw/zinc/73/90/00/573739000.db2.gz RHXUMXLEPOIKLP-RKDXNWHRSA-N 0 0 158.241 1.453 10 0 ADAERN CN1C(=O)N=C(N)[C@@H]1C(C)(C)C 87009551 573739012 /nfs/dbraw/zinc/73/90/12/573739012.db2.gz MXTFYGHDMGSGBZ-RXMQYKEDSA-N 0 0 169.228 1.033 10 0 ADAERN C/C=C/CN[C@](C)(CC)C(=O)OC 308430836 573739036 /nfs/dbraw/zinc/73/90/36/573739036.db2.gz ZOBNMBLMGRRWJW-BREXMAIKSA-N 0 0 185.267 1.494 10 0 ADAERN CCC(CC)[C@@H]1C(N)=NC(=O)N1C 87009542 573739042 /nfs/dbraw/zinc/73/90/42/573739042.db2.gz RUXOFMQPUQPGPW-SSDOTTSWSA-N 0 0 183.255 1.423 10 0 ADAERN C[C@H](C[C@H]([NH3+])c1cc[nH]c1)C(=O)[O-] 259564261 573739043 /nfs/dbraw/zinc/73/90/43/573739043.db2.gz YEIZOHHSSOCWQT-SVRRBLITSA-N 0 0 182.223 1.125 10 0 ADAERN O=C([O-])[C@@H]1CCCC[C@H]1[NH+]1CCC1 108295826 573739045 /nfs/dbraw/zinc/73/90/45/573739045.db2.gz LPUPXXLZAMXWJA-RKDXNWHRSA-N 0 0 183.251 1.336 10 0 ADAERN COC(=O)C[C@H](C)Cc1nccn1C 259619307 573739046 /nfs/dbraw/zinc/73/90/46/573739046.db2.gz HTCVZCAIXGUEDW-MRVPVSSYSA-N 0 0 196.250 1.162 10 0 ADAERN C/C=C1/CO[C@@H](C)[C@H]1CC(C)=O 238071359 573739048 /nfs/dbraw/zinc/73/90/48/573739048.db2.gz GWJINWXYCCAAFS-DLGWSKDZSA-N 0 0 168.236 1.947 10 0 ADAERN O[C@@H]1CC2(CC2)C12CC2 223456127 573739068 /nfs/dbraw/zinc/73/90/68/573739068.db2.gz FCTOPMIBZHFELW-ZCFIWIBFSA-N 0 0 124.183 1.311 10 0 ADAERN CCC[C@]1(C)C(N)=NC(=O)N1CC 87009621 573739073 /nfs/dbraw/zinc/73/90/73/573739073.db2.gz JNQSYULEWNZRPS-SECBINFHSA-N 0 0 183.255 1.568 10 0 ADAERN Cc1ccoc1[C@@H](NN)C1CC1 122428839 573739077 /nfs/dbraw/zinc/73/90/77/573739077.db2.gz DMZUNTWLCBWHRF-QMMMGPOBSA-N 0 0 166.224 1.502 10 0 ADAERN CCOCc1ncsc1N 257858763 573739083 /nfs/dbraw/zinc/73/90/83/573739083.db2.gz BMHFNKJWLKZREY-UHFFFAOYSA-N 0 0 158.226 1.262 10 0 ADAERN OC[C@H](F)c1ccc2c(c1)OCO2 108296488 573739093 /nfs/dbraw/zinc/73/90/93/573739093.db2.gz USKUNBLTAXECMN-ZETCQYMHSA-N 0 0 184.166 1.418 10 0 ADAERN C[C@@H](O)Cc1c(O)cc(F)cc1F 258113482 573739100 /nfs/dbraw/zinc/73/91/00/573739100.db2.gz PYIBHZHDTHCLIJ-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN O=C(CC1COC1)OC1CCCC1 308430841 573739107 /nfs/dbraw/zinc/73/91/07/573739107.db2.gz ZOCKOOZICIAAQH-UHFFFAOYSA-N 0 0 184.235 1.509 10 0 ADAERN OC[C@H](F)c1ccc(F)cc1F 108291206 573739112 /nfs/dbraw/zinc/73/91/12/573739112.db2.gz LFRINPTUQIERAD-QMMMGPOBSA-N 0 0 176.137 1.968 10 0 ADAERN Cc1cc2c(C[NH3+])nccc2[nH]1 238500407 573739113 /nfs/dbraw/zinc/73/91/13/573739113.db2.gz WZPIPYXHRSFGTO-UHFFFAOYSA-N 0 0 161.208 1.330 10 0 ADAERN CCCc1nc2c(o1)C[C@H](O)CC2 258114851 573739121 /nfs/dbraw/zinc/73/91/21/573739121.db2.gz VXKXPNTVNJGYMA-SSDOTTSWSA-N 0 0 181.235 1.477 10 0 ADAERN O=C1NCCc2c1cccc2C1CC1 87014813 573739123 /nfs/dbraw/zinc/73/91/23/573739123.db2.gz CIWAQSSBZSXUQF-UHFFFAOYSA-N 0 0 187.242 1.850 10 0 ADAERN COc1cccc(SC)c1CCO 258113694 573739126 /nfs/dbraw/zinc/73/91/26/573739126.db2.gz LREMMBCVVSEHQQ-UHFFFAOYSA-N 0 0 198.287 1.952 10 0 ADAERN COc1ccc(N[C@@H](C)CO)c(N)c1 125000294 573739129 /nfs/dbraw/zinc/73/91/29/573739129.db2.gz IYPONXKQPVEHKX-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN CC(=O)c1ccn2ncc(CO)c2c1 238074851 573739131 /nfs/dbraw/zinc/73/91/31/573739131.db2.gz MBNWEXWXIDKLSZ-UHFFFAOYSA-N 0 0 190.202 1.029 10 0 ADAERN CC(=O)c1c(F)c(O)cc2c1OCO2 258113457 573739137 /nfs/dbraw/zinc/73/91/37/573739137.db2.gz PXPXTSMYQSFVKY-UHFFFAOYSA-N 0 0 198.149 1.463 10 0 ADAERN CCC[C@@H]1C(N)=NC(=O)N1C(C)C 87010569 573739146 /nfs/dbraw/zinc/73/91/46/573739146.db2.gz QDRLGEQVFFMDSO-SSDOTTSWSA-N 0 0 183.255 1.566 10 0 ADAERN NC(=O)[C@@H]([NH3+])c1ccc(C2CC2)cc1 87012197 573739152 /nfs/dbraw/zinc/73/91/52/573739152.db2.gz CGENWBHLYUKIGH-JTQLQIEISA-N 0 0 190.246 1.049 10 0 ADAERN NC1=NC(=O)N(CC2CC2)C12CCC2 87011494 573739166 /nfs/dbraw/zinc/73/91/66/573739166.db2.gz ZSCRZQAMQQGWLU-UHFFFAOYSA-N 0 0 193.250 1.322 10 0 ADAERN CCC(O)(CC)C(=O)C(C)C 197690705 573739176 /nfs/dbraw/zinc/73/91/76/573739176.db2.gz SUEPHSVHCDUERN-UHFFFAOYSA-N 0 0 158.241 1.763 10 0 ADAERN CCN1C(=O)N=C(N)[C@@]12CCC[C@H]2C 87009619 573739178 /nfs/dbraw/zinc/73/91/78/573739178.db2.gz WVRKTGFVPHRIFD-XCBNKYQSSA-N 0 0 195.266 1.568 10 0 ADAERN C[C@]1(c2ccccc2)CC(=O)[C@@H](O)C1 238502435 573739182 /nfs/dbraw/zinc/73/91/82/573739182.db2.gz OESRGQVPUGFWPV-CMPLNLGQSA-N 0 0 190.242 1.668 10 0 ADAERN O=C([O-])[C@@H]1CCCCCCCC[NH2+]1 143214897 573739185 /nfs/dbraw/zinc/73/91/85/573739185.db2.gz MQRVEPRRWWLUBK-VIFPVBQESA-N 0 0 185.267 1.774 10 0 ADAERN CCc1cc(OC)c(OC)cc1N 143249282 573739203 /nfs/dbraw/zinc/73/92/03/573739203.db2.gz JMAQQUDVGKFPIB-UHFFFAOYSA-N 0 0 181.235 1.848 10 0 ADAERN CN1C(=O)N=C(N)[C@H]1C(C)(C)C 87009550 573739207 /nfs/dbraw/zinc/73/92/07/573739207.db2.gz MXTFYGHDMGSGBZ-YFKPBYRVSA-N 0 0 169.228 1.033 10 0 ADAERN C[C@H]1CN=C(c2ccc(O)cc2)O1 143236032 573739219 /nfs/dbraw/zinc/73/92/19/573739219.db2.gz MZNQYRYAOMJFOL-ZETCQYMHSA-N 0 0 177.203 1.558 10 0 ADAERN CC[C@@H](C)[C@@]1(C)C(N)=NC(=O)N1CC 87009973 573739235 /nfs/dbraw/zinc/73/92/35/573739235.db2.gz ZVHSKONRQYHOHJ-XCBNKYQSSA-N 0 0 197.282 1.814 10 0 ADAERN CCN1C(=O)N=C(N)[C@@]12CC[C@H](C)C2 87009825 573739241 /nfs/dbraw/zinc/73/92/41/573739241.db2.gz YCTFNHYNTLXNAX-XVKPBYJWSA-N 0 0 195.266 1.568 10 0 ADAERN NC1=NC(=O)N(CC2CC2)[C@H]1C1CC1 87011556 573739257 /nfs/dbraw/zinc/73/92/57/573739257.db2.gz CXSHUDQCMLRCQI-QMMMGPOBSA-N 0 0 193.250 1.177 10 0 ADAERN CCN1C(=O)N=C(N)[C@H]1C1CCCC1 87010073 573739266 /nfs/dbraw/zinc/73/92/66/573739266.db2.gz LAHPJMDVYMHSLR-MRVPVSSYSA-N 0 0 195.266 1.568 10 0 ADAERN C[C@H]1CNc2c(O)cccc2N(C)C1 258420470 573739267 /nfs/dbraw/zinc/73/92/67/573739267.db2.gz DUHXBRFLWLVULP-QMMMGPOBSA-N 0 0 192.262 1.890 10 0 ADAERN CN(C)c1ccc([C@@H](F)CO)cc1 108295653 573739273 /nfs/dbraw/zinc/73/92/73/573739273.db2.gz GCDFODGACZAGJC-JTQLQIEISA-N 0 0 183.226 1.756 10 0 ADAERN [NH3+][C@H](C(=O)[O-])c1ccccc1C1CC1 87015113 573739279 /nfs/dbraw/zinc/73/92/79/573739279.db2.gz FUEJHHBQPASIRU-JTQLQIEISA-N 0 0 191.230 1.648 10 0 ADAERN CCCOC(=O)NC[C@H](O)C(C)C 393559496 573739281 /nfs/dbraw/zinc/73/92/81/573739281.db2.gz WYMRPBOMFSTHIE-QMMMGPOBSA-N 0 0 189.255 1.140 10 0 ADAERN CCC[C@@H](C)N(C)C(=O)C1COC1 308428467 573739304 /nfs/dbraw/zinc/73/93/04/573739304.db2.gz SGMAZLYNJROLDC-MRVPVSSYSA-N 0 0 185.267 1.280 10 0 ADAERN O=C(OCC(F)(F)F)N1CCCO1 126913453 573739311 /nfs/dbraw/zinc/73/93/11/573739311.db2.gz GFTCISZWAMOBFB-UHFFFAOYSA-N 0 0 199.128 1.323 10 0 ADAERN C[C@@]1(CO)CCCC[C@@]1(C)O 238500417 573739334 /nfs/dbraw/zinc/73/93/34/573739334.db2.gz QEWAZEVUOTZLNF-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN OCC[C@@H]1CCc2cccc(F)c2N1 257859213 573739335 /nfs/dbraw/zinc/73/93/35/573739335.db2.gz QQCBCGZQYSXNIY-VIFPVBQESA-N 0 0 195.237 1.935 10 0 ADAERN CC(C)N1C(=O)N=C(N)[C@H]1C1CC1 87010579 573739344 /nfs/dbraw/zinc/73/93/44/573739344.db2.gz UMAPJEJTJZRQTP-SSDOTTSWSA-N 0 0 181.239 1.176 10 0 ADAERN C/C=C1/C[C@@H]1C(=O)Nc1ccccn1 238071564 573739349 /nfs/dbraw/zinc/73/93/49/573739349.db2.gz BPTJFWNVFRMSPC-JWNFGPPVSA-N 0 0 188.230 1.986 10 0 ADAERN O=Cc1ccn2c(Cl)cnc2n1 108294185 573739358 /nfs/dbraw/zinc/73/93/58/573739358.db2.gz JOJIUPONHRABFK-UHFFFAOYSA-N 0 0 181.582 1.195 10 0 ADAERN CCCOCCCNc1[nH+]ccn1C 131026272 573739360 /nfs/dbraw/zinc/73/93/60/573739360.db2.gz MONUHYVJRYJANW-UHFFFAOYSA-N 0 0 197.282 1.649 10 0 ADAERN COc1ccccc1C[C@H](F)[C@@H](C)O 257858730 573739370 /nfs/dbraw/zinc/73/93/70/573739370.db2.gz ODGMRYOQVHCLGN-SCZZXKLOSA-N 0 0 198.237 1.957 10 0 ADAERN CC(C)c1ncc2n1CCC[C@H]2CO 258420805 573739371 /nfs/dbraw/zinc/73/93/71/573739371.db2.gz VUKVWKBUHNDEOH-VIFPVBQESA-N 0 0 194.278 1.876 10 0 ADAERN OCC1=CO[C@]2(CCCCO2)CC1 223511959 573739388 /nfs/dbraw/zinc/73/93/88/573739388.db2.gz LHYGQUALGJCXHL-SNVBAGLBSA-N 0 0 184.235 1.570 10 0 ADAERN C[C@@]1(c2ccccc2)C[C@@H](N)C(=O)O1 238502210 573739406 /nfs/dbraw/zinc/73/94/06/573739406.db2.gz PVNSNIRZYSNYRP-KOLCDFICSA-N 0 0 191.230 1.176 10 0 ADAERN CCCOC(=O)NC[C@@H](O)C(C)C 393559495 573739409 /nfs/dbraw/zinc/73/94/09/573739409.db2.gz WYMRPBOMFSTHIE-MRVPVSSYSA-N 0 0 189.255 1.140 10 0 ADAERN CC(=O)C(=O)Nc1ccc(F)c(C)c1 258899763 573739427 /nfs/dbraw/zinc/73/94/27/573739427.db2.gz IKWOILIEHWKHPF-UHFFFAOYSA-N 0 0 195.193 1.662 10 0 ADAERN CCN1C(=O)N=C(N)[C@@H]1CC(C)(C)C 87010058 573739429 /nfs/dbraw/zinc/73/94/29/573739429.db2.gz KOOYRHNXEOPCEZ-ZETCQYMHSA-N 0 0 197.282 1.814 10 0 ADAERN CO/C=C\[C@@H](C)C(C)=O 223512267 573739434 /nfs/dbraw/zinc/73/94/34/573739434.db2.gz NYOVLHVJENZNRQ-WWVFMHICSA-N 0 0 128.171 1.372 10 0 ADAERN COc1ccc(N(C)OC)c(N)c1 125005503 573739436 /nfs/dbraw/zinc/73/94/36/573739436.db2.gz FXVOUEFNGZLMQC-UHFFFAOYSA-N 0 0 182.223 1.275 10 0 ADAERN CC(=O)c1cccc2c1OC[C@@H](O)C2 238074302 573739439 /nfs/dbraw/zinc/73/94/39/573739439.db2.gz TWZAOFVLWLHHIR-VIFPVBQESA-N 0 0 192.214 1.185 10 0 ADAERN O=C1C=C2c3[nH]ccc3CC[C@H]2O1 143279972 573739442 /nfs/dbraw/zinc/73/94/42/573739442.db2.gz KIYOPKHDJLTMOD-MRVPVSSYSA-N 0 0 175.187 1.270 10 0 ADAERN CCN1C(=O)N=C(N)[C@@]1(C)CC(C)C 87010033 573739449 /nfs/dbraw/zinc/73/94/49/573739449.db2.gz HBKVXOPJWMUGKN-SNVBAGLBSA-N 0 0 197.282 1.814 10 0 ADAERN C[C@@H](C[C@H]([NH3+])c1cc[nH]c1)C(=O)[O-] 259564263 573739454 /nfs/dbraw/zinc/73/94/54/573739454.db2.gz YEIZOHHSSOCWQT-XPUUQOCRSA-N 0 0 182.223 1.125 10 0 ADAERN COC[C@@H](O)c1ccc(C)s1 84007675 573739464 /nfs/dbraw/zinc/73/94/64/573739464.db2.gz CJGPMCWNZGUDHP-SSDOTTSWSA-N 0 0 172.249 1.736 10 0 ADAERN CC(C)=C=C(C)[C@@H](C)O 197641362 573739466 /nfs/dbraw/zinc/73/94/66/573739466.db2.gz DONQNRFEYUCGSO-MRVPVSSYSA-N 0 0 126.199 1.879 10 0 ADAERN Cn1nc(N)cc1-c1ccc(O)cc1 257859170 573739473 /nfs/dbraw/zinc/73/94/73/573739473.db2.gz QOAXFLGGDPDXTB-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN CCC1(CC)C(N)=NC(=O)N1C(C)C 87010631 573739474 /nfs/dbraw/zinc/73/94/74/573739474.db2.gz LSTUBGFXZGPPAY-UHFFFAOYSA-N 0 0 197.282 1.956 10 0 ADAERN C[C@@H](O)c1cc(-c2ccccn2)no1 143286086 573739494 /nfs/dbraw/zinc/73/94/94/573739494.db2.gz BEZGVFIKLHVKFJ-SSDOTTSWSA-N 0 0 190.202 1.790 10 0 ADAERN CCSCCC(=O)Nc1cc[nH]n1 308430551 573739518 /nfs/dbraw/zinc/73/95/18/573739518.db2.gz SZINECQWVQMOQV-UHFFFAOYSA-N 0 0 199.279 1.491 10 0 ADAERN CC[C@H](C)[C@@]1(C)C(N)=NC(=O)N1C 87009304 573739520 /nfs/dbraw/zinc/73/95/20/573739520.db2.gz CGOBPEZWYZRPBK-RCOVLWMOSA-N 0 0 183.255 1.423 10 0 ADAERN CO[C@H](C)[C@](C)(O)[C@@H]1CCCOC1 224993202 573739523 /nfs/dbraw/zinc/73/95/23/573739523.db2.gz BRCPGRMNNFVQOH-BBBLOLIVSA-N 0 0 188.267 1.199 10 0 ADAERN Cc1ccc([C@@H](N)c2nc[nH]n2)s1 84009028 573739524 /nfs/dbraw/zinc/73/95/24/573739524.db2.gz XXWWXPBVSVWWOZ-SSDOTTSWSA-N 0 0 194.263 1.223 10 0 ADAERN CCN1C(=O)N=C(N)[C@@]1(CC)C(C)C 87010041 573739536 /nfs/dbraw/zinc/73/95/36/573739536.db2.gz RPUWYKUGTRCVFY-SNVBAGLBSA-N 0 0 197.282 1.814 10 0 ADAERN CC(=O)c1ccc2cnsc2n1 238072111 573739552 /nfs/dbraw/zinc/73/95/52/573739552.db2.gz JKOWMYNFBJKODV-UHFFFAOYSA-N 0 0 178.216 1.894 10 0 ADAERN O=C([O-])[C@H]1C[NH2+][C@H]1c1ccc(F)cc1 257859148 573739573 /nfs/dbraw/zinc/73/95/73/573739573.db2.gz QNQRSPZEGATMSY-IUCAKERBSA-N 0 0 195.193 1.171 10 0 ADAERN C[C@](O)(CC1CC1)[C@H]1CCCOC1 224994221 573739581 /nfs/dbraw/zinc/73/95/81/573739581.db2.gz AGUVESIMIRWPOR-QWRGUYRKSA-N 0 0 184.279 1.964 10 0 ADAERN CC(=O)NC1=C(Cl)CCC1 238073663 573739589 /nfs/dbraw/zinc/73/95/89/573739589.db2.gz YBOZPEWRHKAZST-UHFFFAOYSA-N 0 0 159.616 1.757 10 0 ADAERN COc1cccc2nc(CN)oc12 108291840 573739591 /nfs/dbraw/zinc/73/95/91/573739591.db2.gz QSIRPIGVIYTFNE-UHFFFAOYSA-N 0 0 178.191 1.295 10 0 ADAERN CC[C@]1(C)C(N)=NC(=O)N1CC1CC1 87011450 573739602 /nfs/dbraw/zinc/73/96/02/573739602.db2.gz JFPIAOIESFHUNB-SNVBAGLBSA-N 0 0 195.266 1.568 10 0 ADAERN CN1C(=O)N=C(N)[C@H]1C1CCCC1 87009446 573739618 /nfs/dbraw/zinc/73/96/18/573739618.db2.gz JDTFABNKDTZVDN-SSDOTTSWSA-N 0 0 181.239 1.177 10 0 ADAERN CC(C)(C)Oc1ccc(C[NH3+])nc1 122421090 573739622 /nfs/dbraw/zinc/73/96/22/573739622.db2.gz IVWOEQQSNKJYDM-UHFFFAOYSA-N 0 0 180.251 1.718 10 0 ADAERN C/C(=C/C(=O)[O-])C[NH2+]C[C@@H](C)C1CC1 308430759 573739624 /nfs/dbraw/zinc/73/96/24/573739624.db2.gz DSHQUQURPSHRMD-BZJXQOFCSA-N 0 0 197.278 1.653 10 0 ADAERN CC1(C)C(N)=NC(=O)N1CC1CC1 87011506 573739627 /nfs/dbraw/zinc/73/96/27/573739627.db2.gz OLXDYGYJDDACTJ-UHFFFAOYSA-N 0 0 181.239 1.177 10 0 ADAERN O[C@H](c1cncs1)[C@H]1CCCOC1 224989714 573739639 /nfs/dbraw/zinc/73/96/39/573739639.db2.gz YROIEAVVFJKDJT-CBAPKCEASA-N 0 0 199.275 1.603 10 0 ADAERN C[C@]12CC(=O)O[C@@H]1CCCC2=O 238500075 573739651 /nfs/dbraw/zinc/73/96/51/573739651.db2.gz OLBFWZYUMKDIEC-VXNVDRBHSA-N 0 0 168.192 1.061 10 0 ADAERN O=C([O-])[C@@H]1CCCC[C@@H]1[NH+]1CCC1 108295823 573739654 /nfs/dbraw/zinc/73/96/54/573739654.db2.gz LPUPXXLZAMXWJA-BDAKNGLRSA-N 0 0 183.251 1.336 10 0 ADAERN CC(=O)N1Cc2cc(F)ccc2C1=O 238060414 573744383 /nfs/dbraw/zinc/74/43/83/573744383.db2.gz VSMWZIQQPANCAR-UHFFFAOYSA-N 0 0 193.177 1.328 10 0 ADAERN CCC[C@@H](NN)c1cccnc1OC 127002907 573744407 /nfs/dbraw/zinc/74/44/07/573744407.db2.gz BPSISPVXHPZYMC-SECBINFHSA-N 0 0 195.266 1.395 10 0 ADAERN CN1N=CC(=O)C1c1ccc(F)cc1 257860928 573744414 /nfs/dbraw/zinc/74/44/14/573744414.db2.gz QYGRNGAQRHSENN-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN COC[C@@H]1CNc2cc(O)ccc2C1 257860927 573744422 /nfs/dbraw/zinc/74/44/22/573744422.db2.gz QYCZUUBQTVQZHR-QMMMGPOBSA-N 0 0 193.246 1.623 10 0 ADAERN C[C@@]1(O)CCCC[C@H](O)CC1 238500512 573744428 /nfs/dbraw/zinc/74/44/28/573744428.db2.gz RHXUMXLEPOIKLP-DTWKUNHWSA-N 0 0 158.241 1.453 10 0 ADAERN C[C@]12CC=C[C@H]1[C@@](C[NH3+])(CC(=O)[O-])C2 238501858 573744448 /nfs/dbraw/zinc/74/44/48/573744448.db2.gz PTVGWDGPLOLDKF-IEBDPFPHSA-N 0 0 195.262 1.392 10 0 ADAERN Cc1cc2c(CO)c[nH]c(=O)c2s1 238500517 573744454 /nfs/dbraw/zinc/74/44/54/573744454.db2.gz HGMWDGDVDASWLZ-UHFFFAOYSA-N 0 0 195.243 1.390 10 0 ADAERN Cc1ccc(N(C)C(=O)CO)c(C)c1 258902002 573744456 /nfs/dbraw/zinc/74/44/56/573744456.db2.gz RXBOTAYNTJBYFZ-UHFFFAOYSA-N 0 0 193.246 1.259 10 0 ADAERN Cc1cc(C(F)F)c(C=O)nc1N 238501190 573744459 /nfs/dbraw/zinc/74/44/59/573744459.db2.gz GMKMVELFSGZLRR-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C[NH+](C)CCNc1ccc(N)c(F)c1 223488568 573744496 /nfs/dbraw/zinc/74/44/96/573744496.db2.gz MSWMEHSZJMTBAZ-UHFFFAOYSA-N 0 0 197.257 1.381 10 0 ADAERN CC(=O)Nc1cc(N)c(C)c(N)c1 238076400 573744512 /nfs/dbraw/zinc/74/45/12/573744512.db2.gz ZKHNITAPSPHWHV-UHFFFAOYSA-N 0 0 179.223 1.118 10 0 ADAERN C[C@H]1Nc2ccccc2SC[C@H]1O 238501112 573744515 /nfs/dbraw/zinc/74/45/15/573744515.db2.gz YNUIAJDRARTDLB-VXNVDRBHSA-N 0 0 195.287 1.954 10 0 ADAERN O[C@H]1COC[C@@H]1Cc1ccccc1F 687966061 573744516 /nfs/dbraw/zinc/74/45/16/573744516.db2.gz XNHOBVSKDDPWSL-ONGXEEELSA-N 0 0 196.221 1.376 10 0 ADAERN C[C@@H](CO)c1ccc(O)cc1F 257861131 573744524 /nfs/dbraw/zinc/74/45/24/573744524.db2.gz VPMKSNPREAQXMG-LURJTMIESA-N 0 0 170.183 1.627 10 0 ADAERN Cc1ccsc1[C@H](O)c1nc[nH]n1 87021547 573744528 /nfs/dbraw/zinc/74/45/28/573744528.db2.gz QPRMZFOPPUEMRL-LURJTMIESA-N 0 0 195.247 1.256 10 0 ADAERN C[C@]12CC=CC[C@H]1C(=O)CCC2=O 238501129 573744532 /nfs/dbraw/zinc/74/45/32/573744532.db2.gz FJEOGAMKLHVBKL-KWQFWETISA-N 0 0 178.231 1.891 10 0 ADAERN CCOc1ccccc1C(=O)C=O 127036379 573744536 /nfs/dbraw/zinc/74/45/36/573744536.db2.gz VVJWSNRUNSHOBE-UHFFFAOYSA-N 0 0 178.187 1.467 10 0 ADAERN C[C@@]1(O)CCC[C@@](C)(CO)C1 238501066 573744565 /nfs/dbraw/zinc/74/45/65/573744565.db2.gz BEXZCSMZQJFHBN-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1cccc(C(=O)C(C)(C)O)c1O 238500883 573744574 /nfs/dbraw/zinc/74/45/74/573744574.db2.gz PQBIHCIBNRNFJC-UHFFFAOYSA-N 0 0 194.230 1.654 10 0 ADAERN C[C@H](CO)c1ccc(O)cc1F 257861132 573744576 /nfs/dbraw/zinc/74/45/76/573744576.db2.gz VPMKSNPREAQXMG-ZCFIWIBFSA-N 0 0 170.183 1.627 10 0 ADAERN COC[C@@H]1CC(=O)c2cc[nH]c2C1 223535343 573744580 /nfs/dbraw/zinc/74/45/80/573744580.db2.gz SCVRLFMCIUXKKQ-ZETCQYMHSA-N 0 0 179.219 1.406 10 0 ADAERN O[C@@H]1COC[C@@H]1Cc1cccc(F)c1 687965940 573744591 /nfs/dbraw/zinc/74/45/91/573744591.db2.gz VRQLANBMHVOYEW-GXSJLCMTSA-N 0 0 196.221 1.376 10 0 ADAERN CC(=O)N1C(=S)N[C@H]2CCCC[C@H]21 238061793 573744598 /nfs/dbraw/zinc/74/45/98/573744598.db2.gz SLXQPFLWFLOTHW-JGVFFNPUSA-N 0 0 198.291 1.034 10 0 ADAERN CC(=O)N1Cc2cccc(F)c2C1=O 238060816 573744645 /nfs/dbraw/zinc/74/46/45/573744645.db2.gz PGJBPHPZVZJLKK-UHFFFAOYSA-N 0 0 193.177 1.328 10 0 ADAERN Cc1nc2[nH]ccc2cc1[S@@](C)=O 238501360 573744646 /nfs/dbraw/zinc/74/46/46/573744646.db2.gz MUYIRUDOIOWFMD-CYBMUJFWSA-N 0 0 194.259 1.609 10 0 ADAERN C[C@]1(CO)CCC[C@@](C)(O)C1 238501423 573744670 /nfs/dbraw/zinc/74/46/70/573744670.db2.gz BEXZCSMZQJFHBN-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN COC(=O)[C@H](N)C(F)(F)C(C)(C)C 257860935 573744680 /nfs/dbraw/zinc/74/46/80/573744680.db2.gz QYPAEXYEAPYIRM-YFKPBYRVSA-N 0 0 195.209 1.168 10 0 ADAERN Cc1nn(C)c([C@@H](F)CO)c1Cl 108302650 573744701 /nfs/dbraw/zinc/74/47/01/573744701.db2.gz FYTAHRFTECPPAV-YFKPBYRVSA-N 0 0 192.621 1.385 10 0 ADAERN COc1ccc(F)cc1[C@H](F)CO 108299854 573744742 /nfs/dbraw/zinc/74/47/42/573744742.db2.gz CWIVVURNJHHOPU-MRVPVSSYSA-N 0 0 188.173 1.837 10 0 ADAERN CCc1ccsc1C(=O)NC(N)=O 87017706 573744745 /nfs/dbraw/zinc/74/47/45/573744745.db2.gz QVXCSXROVKGBLQ-UHFFFAOYSA-N 0 0 198.247 1.119 10 0 ADAERN C/C=C/[C@H]1CC[C@@H](CO)CO1 238061718 573744754 /nfs/dbraw/zinc/74/47/54/573744754.db2.gz GFQXLQXJJURVDV-JKRGSOBMSA-N 0 0 156.225 1.350 10 0 ADAERN C=CC(=O)N1C[C@@H](C)CC[C@H]1C 84047374 573744756 /nfs/dbraw/zinc/74/47/56/573744756.db2.gz GWQQVHKVGHFYNN-DTWKUNHWSA-N 0 0 167.252 1.819 10 0 ADAERN O[C@@H]1COC[C@H]1Cc1ccccc1F 687966058 573744770 /nfs/dbraw/zinc/74/47/70/573744770.db2.gz XNHOBVSKDDPWSL-MWLCHTKSSA-N 0 0 196.221 1.376 10 0 ADAERN COc1ccc([C@H](F)CO)cc1O 108298754 573744782 /nfs/dbraw/zinc/74/47/82/573744782.db2.gz JTUUKZJYAAEHSB-SSDOTTSWSA-N 0 0 186.182 1.404 10 0 ADAERN CN1CC[NH+]=C1c1ccccc1C=O 108299993 573744787 /nfs/dbraw/zinc/74/47/87/573744787.db2.gz JZVPELXVWCOSLW-UHFFFAOYSA-N 0 0 188.230 1.191 10 0 ADAERN CC(=O)[C@H]1CCC[C@]12CCCC(=O)N2 238076473 573744793 /nfs/dbraw/zinc/74/47/93/573744793.db2.gz ZSUZTFLAQMKHRD-KOLCDFICSA-N 0 0 195.262 1.414 10 0 ADAERN C[C@@]1(O)CCC[C@]1(C)CCO 238501438 573744797 /nfs/dbraw/zinc/74/47/97/573744797.db2.gz VVSLWCVIRQXKAH-RKDXNWHRSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1cc(C(F)F)c(C=O)c(=O)[nH]1 238500956 573744806 /nfs/dbraw/zinc/74/48/06/573744806.db2.gz SXTLUYCYYREIDE-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN Cc1cc2c(CO)ncc(C)c2o1 238500705 573744816 /nfs/dbraw/zinc/74/48/16/573744816.db2.gz VAWSUORAYHNFBD-UHFFFAOYSA-N 0 0 177.203 1.937 10 0 ADAERN Cc1ccc2c(c1)O[C@H](C)[C@@H]2O 87016384 573744851 /nfs/dbraw/zinc/74/48/51/573744851.db2.gz XLHAVLYJVZOCEE-XCBNKYQSSA-N 0 0 164.204 1.809 10 0 ADAERN Cc1nc2ccc(F)cn2c(=O)c1C 238501300 573744861 /nfs/dbraw/zinc/74/48/61/573744861.db2.gz VPNRYLOJUILQMF-UHFFFAOYSA-N 0 0 192.193 1.450 10 0 ADAERN CCC[C@@H](CCc1cccnc1)NN 127024089 573744863 /nfs/dbraw/zinc/74/48/63/573744863.db2.gz POYBCOOICJREBQ-NSHDSACASA-N 0 0 193.294 1.646 10 0 ADAERN CC(=O)C1=NO[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 238076829 573744866 /nfs/dbraw/zinc/74/48/66/573744866.db2.gz DNCXSMWTSMEDJB-ODHVRURNSA-N 0 0 179.219 1.376 10 0 ADAERN CN(C)c1ccc(C2(O)CC2)cc1F 258116058 573744884 /nfs/dbraw/zinc/74/48/84/573744884.db2.gz QCKBINSDNCZWKL-UHFFFAOYSA-N 0 0 195.237 1.873 10 0 ADAERN Cc1cc(C)c(=O)c2cnc[nH]c1-2 238500791 573744886 /nfs/dbraw/zinc/74/48/86/573744886.db2.gz PLIBMTLCODZIHS-UHFFFAOYSA-N 0 0 174.203 1.952 10 0 ADAERN Cc1cc2c(CO)nccc2o1 238500762 573744891 /nfs/dbraw/zinc/74/48/91/573744891.db2.gz YMOJDNOWEKKMAF-UHFFFAOYSA-N 0 0 163.176 1.629 10 0 ADAERN CC(=O)C1C[C@@H]2CC(=O)C[C@H]2C1 238075782 573744912 /nfs/dbraw/zinc/74/49/12/573744912.db2.gz FPRWDANXOYXXBS-RKDXNWHRSA-N 0 0 166.220 1.581 10 0 ADAERN Cc1ccc(F)cc1[C@H]1COC[C@H]1O 687966040 573744927 /nfs/dbraw/zinc/74/49/27/573744927.db2.gz XLUSQMRKCLYMDJ-GHMZBOCLSA-N 0 0 196.221 1.609 10 0 ADAERN CC[C@H](CO)Nc1ccnc(OC)c1 127040897 573744947 /nfs/dbraw/zinc/74/49/47/573744947.db2.gz AZUQYVCFDXQOMD-MRVPVSSYSA-N 0 0 196.250 1.273 10 0 ADAERN CC(=O)N1Cc2ccc(F)cc2C1=O 238060680 573744973 /nfs/dbraw/zinc/74/49/73/573744973.db2.gz RERABNBRGKAOMK-UHFFFAOYSA-N 0 0 193.177 1.328 10 0 ADAERN Cc1ccsc1C(=O)c1nc[nH]n1 87021334 573744984 /nfs/dbraw/zinc/74/49/84/573744984.db2.gz PFWWVUOCJIHZOI-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN CC(C)Cc1nccnc1N 84026631 573744992 /nfs/dbraw/zinc/74/49/92/573744992.db2.gz NOYNDAZJGWNLTC-UHFFFAOYSA-N 0 0 151.213 1.257 10 0 ADAERN CC(=O)N[C@]1(C)CCC[C@H]1C(C)=O 238061741 573745003 /nfs/dbraw/zinc/74/50/03/573745003.db2.gz RTFNBGMSMIGLSJ-VHSXEESVSA-N 0 0 183.251 1.270 10 0 ADAERN Cc1nccnc1Cc1ccnn1C 238501026 573745005 /nfs/dbraw/zinc/74/50/05/573745005.db2.gz RLUSIOJNTMBIME-UHFFFAOYSA-N 0 0 188.234 1.109 10 0 ADAERN Cc1nccc(C(=O)[C@@H]2CCOC2)n1 125019934 573745015 /nfs/dbraw/zinc/74/50/15/573745015.db2.gz ZUWIBYDEEZDDMH-MRVPVSSYSA-N 0 0 192.218 1.004 10 0 ADAERN Cc1nccc(C(=O)c2ccoc2)n1 125018236 573745873 /nfs/dbraw/zinc/74/58/73/573745873.db2.gz DCIYNYPXLZVSQV-UHFFFAOYSA-N 0 0 188.186 1.609 10 0 ADAERN CSc1nc(N)cn1C(C)C 257860475 573745878 /nfs/dbraw/zinc/74/58/78/573745878.db2.gz FICDCDQFHBHKFY-UHFFFAOYSA-N 0 0 171.269 1.768 10 0 ADAERN C[C@@]1(c2ccccc2)CC(=O)N=C1N 238501220 573745919 /nfs/dbraw/zinc/74/59/19/573745919.db2.gz MWTIRDYEHMDMGG-NSHDSACASA-N 0 0 188.230 1.232 10 0 ADAERN CCC[C@@H](NN)c1cc(C)nn1CC 127021602 573745928 /nfs/dbraw/zinc/74/59/28/573745928.db2.gz LQQHJCLGSDVDPQ-SECBINFHSA-N 0 0 196.298 1.516 10 0 ADAERN Cc1ccsc1[C@@H](N)c1nc[nH]n1 87022094 573745962 /nfs/dbraw/zinc/74/59/62/573745962.db2.gz QPZNPYBVRAJRGA-ZCFIWIBFSA-N 0 0 194.263 1.223 10 0 ADAERN Cc1nc(C)c([C@@](C)(F)C[NH3+])s1 108300080 573745986 /nfs/dbraw/zinc/74/59/86/573745986.db2.gz VFXHJLCMWRTWCO-QMMMGPOBSA-N 0 0 188.271 1.903 10 0 ADAERN Clc1nncc([C@@H]2CCCCO2)n1 257873075 573745999 /nfs/dbraw/zinc/74/59/99/573745999.db2.gz QVCJTPXTQZDSMS-ZETCQYMHSA-N 0 0 199.641 1.767 10 0 ADAERN CC(=O)[C@@H](F)CC1CC1 257873188 573746014 /nfs/dbraw/zinc/74/60/14/573746014.db2.gz YNBIPMTZNIFYSD-ZETCQYMHSA-N 0 0 130.162 1.714 10 0 ADAERN CC[C@H](O)C[C@H](C)[C@@H](C)O 79129602 573746047 /nfs/dbraw/zinc/74/60/47/573746047.db2.gz OORRBWLVIVLEFE-RNJXMRFFSA-N 0 0 146.230 1.164 10 0 ADAERN COc1cc([C@@H](F)CO)ccc1F 108299838 573746049 /nfs/dbraw/zinc/74/60/49/573746049.db2.gz DQCBNDRGXJKYCZ-QMMMGPOBSA-N 0 0 188.173 1.837 10 0 ADAERN C[C@H]1[C@@H](C)Nc2ccccc2N1C=O 238500864 573746053 /nfs/dbraw/zinc/74/60/53/573746053.db2.gz QBFOBFBUYYMDFT-BDAKNGLRSA-N 0 0 190.246 1.852 10 0 ADAERN O=Cc1cccc(-c2c[nH]c(=O)[nH]2)c1 108299881 573746071 /nfs/dbraw/zinc/74/60/71/573746071.db2.gz NLHOZPRATRKDIT-UHFFFAOYSA-N 0 0 188.186 1.183 10 0 ADAERN COc1cccc([C@H](F)CO)c1O 108298743 573746091 /nfs/dbraw/zinc/74/60/91/573746091.db2.gz MKIHLCBLFLWPJL-SSDOTTSWSA-N 0 0 186.182 1.404 10 0 ADAERN CCCNc1nccnc1C 84027758 573746096 /nfs/dbraw/zinc/74/60/96/573746096.db2.gz VCPAYYONMLRKIA-UHFFFAOYSA-N 0 0 151.213 1.607 10 0 ADAERN COc1ccc([C@@H](F)CO)cc1O 108298757 573746101 /nfs/dbraw/zinc/74/61/01/573746101.db2.gz JTUUKZJYAAEHSB-ZETCQYMHSA-N 0 0 186.182 1.404 10 0 ADAERN O=C([O-])c1cnsc1C[NH2+]C1CC1 257860567 573746103 /nfs/dbraw/zinc/74/61/03/573746103.db2.gz BVZYWANDYWKVCT-UHFFFAOYSA-N 0 0 198.247 1.093 10 0 ADAERN COc1c(C(=O)CN)ccc(C)c1C 108303097 573746116 /nfs/dbraw/zinc/74/61/16/573746116.db2.gz HSHIWRZQLKNSAR-UHFFFAOYSA-N 0 0 193.246 1.453 10 0 ADAERN Cc1ccsc1[C@]1(O)CCOC1 87020631 573746137 /nfs/dbraw/zinc/74/61/37/573746137.db2.gz UMJWBQLFYQCSJD-VIFPVBQESA-N 0 0 184.260 1.664 10 0 ADAERN COc1cc(O)c(CCO)cc1F 258116004 573746145 /nfs/dbraw/zinc/74/61/45/573746145.db2.gz QBSGPRORYKPSQB-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN C[C@@]1(c2ccccc2)CCO[C@H]1O 238501738 573746153 /nfs/dbraw/zinc/74/61/53/573746153.db2.gz PYULBEZBAFXHLI-MNOVXSKESA-N 0 0 178.231 1.683 10 0 ADAERN C[C@H]1C[C@@H](NC(=O)C(C)(C)C)C=CO1 238501643 573746159 /nfs/dbraw/zinc/74/61/59/573746159.db2.gz WBDOHXYDQYTKRP-IUCAKERBSA-N 0 0 197.278 1.840 10 0 ADAERN C/C=C/[C@H]1CCC[C@@H](O)O1 238061499 573746161 /nfs/dbraw/zinc/74/61/61/573746161.db2.gz WXCOSZGFODJMND-POSAZWSLSA-N 0 0 142.198 1.450 10 0 ADAERN COC(=O)[C@@](N)(C(C)C)C(F)(F)F 257872901 573746170 /nfs/dbraw/zinc/74/61/70/573746170.db2.gz QQVPRWFMLHBBFO-LURJTMIESA-N 0 0 199.172 1.075 10 0 ADAERN C/C=C/[C@H]1CCC[C@@H](CO)O1 238061466 573746179 /nfs/dbraw/zinc/74/61/79/573746179.db2.gz QLPVKGKKQJTYHX-WIYOPTIVSA-N 0 0 156.225 1.493 10 0 ADAERN Cc1nccc(C(=O)C(C)C)n1 125021713 573746180 /nfs/dbraw/zinc/74/61/80/573746180.db2.gz RYRWMKNNEORDLO-UHFFFAOYSA-N 0 0 164.208 1.624 10 0 ADAERN C[C@@H](CC(=O)[O-])[N@@H+]1C[C@H](C)CC[C@H]1C 84049761 573746194 /nfs/dbraw/zinc/74/61/94/573746194.db2.gz RBMTYKCGLYPVHC-BBBLOLIVSA-N 0 0 199.294 1.970 10 0 ADAERN C[S@@](=O)c1ccc2cc[nH]c2n1 238501836 573746195 /nfs/dbraw/zinc/74/61/95/573746195.db2.gz WHYHWAKPJFBMCT-GFCCVEGCSA-N 0 0 180.232 1.300 10 0 ADAERN C[C@H]1Oc2cc(F)ccc2[C@@H]1O 87016366 573746208 /nfs/dbraw/zinc/74/62/08/573746208.db2.gz ABZIFNIEKHVKBG-MLUIRONXSA-N 0 0 168.167 1.640 10 0 ADAERN CCn1cc(C)nc1SC 257864200 573746211 /nfs/dbraw/zinc/74/62/11/573746211.db2.gz GMUQFXHUPMNKFG-UHFFFAOYSA-N 0 0 156.254 1.933 10 0 ADAERN CC[C@@H]1C[C@]1(C)O 79124941 573746220 /nfs/dbraw/zinc/74/62/20/573746220.db2.gz WESGBEWHILMIMJ-RITPCOANSA-N 0 0 100.161 1.167 10 0 ADAERN CC(=O)c1cnc2cccnc2n1 238076022 573746223 /nfs/dbraw/zinc/74/62/23/573746223.db2.gz IZFIDPXBMDHTMN-UHFFFAOYSA-N 0 0 173.175 1.227 10 0 ADAERN C[S@@](=O)c1cnc2[nH]ccc2c1F 238502538 573746227 /nfs/dbraw/zinc/74/62/27/573746227.db2.gz LQYWXUJAYDQBHC-CYBMUJFWSA-N 0 0 198.222 1.439 10 0 ADAERN OCc1nc2cccnc2n1C1CC1 76047154 573746228 /nfs/dbraw/zinc/74/62/28/573746228.db2.gz LGTYIGBRKKWMJJ-UHFFFAOYSA-N 0 0 189.218 1.259 10 0 ADAERN C[C@@H](F)[C@@]([NH3+])(C(=O)[O-])c1ccccc1 257873444 573746247 /nfs/dbraw/zinc/74/62/47/573746247.db2.gz UAERAPUJSFFOEH-XCBNKYQSSA-N 0 0 197.209 1.283 10 0 ADAERN COc1cc([C@H](F)CO)ccc1O 108298749 573746251 /nfs/dbraw/zinc/74/62/51/573746251.db2.gz LUTLEISVUAFNSB-SSDOTTSWSA-N 0 0 186.182 1.404 10 0 ADAERN Cc1c(CO)c(C2CC2)nn1C 238501442 573746254 /nfs/dbraw/zinc/74/62/54/573746254.db2.gz CKUKPMCZTZGUJO-UHFFFAOYSA-N 0 0 166.224 1.098 10 0 ADAERN C/C=C\C(C)(C)C(N)=O 221798448 573746255 /nfs/dbraw/zinc/74/62/55/573746255.db2.gz STCQKDIKPYGUTO-PLNGDYQASA-N 0 0 127.187 1.074 10 0 ADAERN O=Cc1ccccc1-c1c[nH]c(=O)[nH]1 108299883 573746257 /nfs/dbraw/zinc/74/62/57/573746257.db2.gz NZQUKSGQZUTOTA-UHFFFAOYSA-N 0 0 188.186 1.183 10 0 ADAERN Cc1ccsc1[C@@]1(O)CCOC1 87020633 573746261 /nfs/dbraw/zinc/74/62/61/573746261.db2.gz UMJWBQLFYQCSJD-SECBINFHSA-N 0 0 184.260 1.664 10 0 ADAERN CC(=O)c1cnc2[nH]cnc2c1C 238076130 573746262 /nfs/dbraw/zinc/74/62/62/573746262.db2.gz MLRRIPMWIIMGCU-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN Nc1nsnc1-c1ccc(F)cc1 84026316 573746275 /nfs/dbraw/zinc/74/62/75/573746275.db2.gz ARKPHNAGALSTAN-UHFFFAOYSA-N 0 0 195.222 1.926 10 0 ADAERN C[C@H]1Oc2cc(F)ccc2[C@H]1O 87016362 573746277 /nfs/dbraw/zinc/74/62/77/573746277.db2.gz ABZIFNIEKHVKBG-ANLVUFKYSA-N 0 0 168.167 1.640 10 0 ADAERN O=C1CCSC[C@H](C2CCCC2)N1 257872929 573746278 /nfs/dbraw/zinc/74/62/78/573746278.db2.gz QRHBWZJZWIMMRV-SECBINFHSA-N 0 0 199.319 1.798 10 0 ADAERN Nc1nc(Cl)[nH]c2cc(=O)ccc1-2 257863788 573746313 /nfs/dbraw/zinc/74/63/13/573746313.db2.gz RORJMWBZZSHHNO-UHFFFAOYSA-N 0 0 195.609 1.571 10 0 ADAERN C[C@]12CC=CC[C@@H]1C(=O)CCC2=O 238500918 573746323 /nfs/dbraw/zinc/74/63/23/573746323.db2.gz FJEOGAMKLHVBKL-KCJUWKMLSA-N 0 0 178.231 1.891 10 0 ADAERN O[C@H]1CCC[C@H]1n1nccc1Cl 108299251 573746339 /nfs/dbraw/zinc/74/63/39/573746339.db2.gz HAOQNSJSSJMSRU-RQJHMYQMSA-N 0 0 186.642 1.622 10 0 ADAERN C/C=C\C[N@H+](CC(=O)[O-])C(C)C 215344425 573746350 /nfs/dbraw/zinc/74/63/50/573746350.db2.gz KERBSVDAULQMJH-PLNGDYQASA-N 0 0 171.240 1.358 10 0 ADAERN CC[C@H](C(=O)[O-])[N@@H+]1C[C@H](C)CC[C@@H]1C 84049377 573746353 /nfs/dbraw/zinc/74/63/53/573746353.db2.gz LMHGEJKHKIPTBO-KXUCPTDWSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@H]1CN(c2ccccc2O)C(=O)O1 257873454 573746355 /nfs/dbraw/zinc/74/63/55/573746355.db2.gz UAFRLIWMJMZCGC-ZETCQYMHSA-N 0 0 193.202 1.737 10 0 ADAERN Cn1c(CO)cc2c(F)cccc21 257863535 573746375 /nfs/dbraw/zinc/74/63/75/573746375.db2.gz HEPOYAALUGZBFH-UHFFFAOYSA-N 0 0 179.194 1.810 10 0 ADAERN C/C=C/[C@H]1CC[C@H](CO)CO1 238061856 573746389 /nfs/dbraw/zinc/74/63/89/573746389.db2.gz GFQXLQXJJURVDV-ALCGYSGWSA-N 0 0 156.225 1.350 10 0 ADAERN OCCCc1ncc2c(n1)CCCC2 257863100 573746391 /nfs/dbraw/zinc/74/63/91/573746391.db2.gz RKBWXFBUTQPGMX-UHFFFAOYSA-N 0 0 192.262 1.280 10 0 ADAERN CCNc1nc(C)nc(OC(C)C)n1 84027759 573746431 /nfs/dbraw/zinc/74/64/31/573746431.db2.gz WDJYNNPRDUAJMD-UHFFFAOYSA-N 0 0 196.254 1.399 10 0 ADAERN CN(CO)Cc1cccs1 258903526 573746465 /nfs/dbraw/zinc/74/64/65/573746465.db2.gz LDHVIOCXDBEKCJ-UHFFFAOYSA-N 0 0 157.238 1.130 10 0 ADAERN O=C1CCNN1Cc1ccc(F)cc1 257863752 573746486 /nfs/dbraw/zinc/74/64/86/573746486.db2.gz RNMFLOIWYRUIIW-UHFFFAOYSA-N 0 0 194.209 1.063 10 0 ADAERN Cc1cnc(C(F)F)c(C=O)c1N 238501447 573746495 /nfs/dbraw/zinc/74/64/95/573746495.db2.gz UPDCVKVVWGONFY-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN C[C@H]1CC(=O)N(c2ccccc2O)O1 257863887 573746519 /nfs/dbraw/zinc/74/65/19/573746519.db2.gz RQQLDCIVYUHAJP-ZETCQYMHSA-N 0 0 193.202 1.449 10 0 ADAERN C[C@H]1Nc2cocc2-n2cncc21 238501625 573746547 /nfs/dbraw/zinc/74/65/47/573746547.db2.gz KEXOSWJGRIVUGL-ZCFIWIBFSA-N 0 0 175.191 1.952 10 0 ADAERN Nc1ncc2nc(C3CC3)sc2n1 108302403 573746563 /nfs/dbraw/zinc/74/65/63/573746563.db2.gz KJLHVDHGUOPRRD-UHFFFAOYSA-N 0 0 192.247 1.546 10 0 ADAERN Nc1cc(C2CCC2)cc(=O)[nH]1 258900761 573746569 /nfs/dbraw/zinc/74/65/69/573746569.db2.gz ZCPMLQVSLCUUEL-UHFFFAOYSA-N 0 0 164.208 1.637 10 0 ADAERN C[C@H]1CC[C@@H](C)CN1C(N)=S 84047683 573747764 /nfs/dbraw/zinc/74/77/64/573747764.db2.gz GQTIBSVVDXAFDP-RQJHMYQMSA-N 0 0 172.297 1.350 10 0 ADAERN CCN1N[C@H](c2ccccc2)CC1=O 257863160 573747787 /nfs/dbraw/zinc/74/77/87/573747787.db2.gz RMTILNUFXTUWRC-JTQLQIEISA-N 0 0 190.246 1.485 10 0 ADAERN C[C@]1(c2cccc(O)c2)CC(=O)CN1 258901360 573747806 /nfs/dbraw/zinc/74/78/06/573747806.db2.gz OBQMZOFECCRNGI-LLVKDONJSA-N 0 0 191.230 1.170 10 0 ADAERN C[C@@H]1CC[C@@H](C)N(C(N)=S)C1 84047690 573747813 /nfs/dbraw/zinc/74/78/13/573747813.db2.gz GQTIBSVVDXAFDP-RNFRBKRXSA-N 0 0 172.297 1.350 10 0 ADAERN CCC[C@H](CCc1cccnc1)NN 127024255 573747819 /nfs/dbraw/zinc/74/78/19/573747819.db2.gz POYBCOOICJREBQ-LLVKDONJSA-N 0 0 193.294 1.646 10 0 ADAERN CCC[C@H](NN)c1cccnc1OC 127002675 573747839 /nfs/dbraw/zinc/74/78/39/573747839.db2.gz BPSISPVXHPZYMC-VIFPVBQESA-N 0 0 195.266 1.395 10 0 ADAERN Cc1cccc2c1C[C@@H]2O 257863005 573747858 /nfs/dbraw/zinc/74/78/58/573747858.db2.gz WCATUYJDWNEKRH-VIFPVBQESA-N 0 0 134.178 1.585 10 0 ADAERN CCCOC(=O)c1ccc(C[NH3+])o1 87043539 573747867 /nfs/dbraw/zinc/74/78/67/573747867.db2.gz ITEQGAKLVLZHJZ-UHFFFAOYSA-N 0 0 183.207 1.305 10 0 ADAERN O[C@H]1COC[C@H]1Cc1ccccc1F 687966054 573747882 /nfs/dbraw/zinc/74/78/82/573747882.db2.gz XNHOBVSKDDPWSL-KOLCDFICSA-N 0 0 196.221 1.376 10 0 ADAERN C=CC(=O)N1C[C@@H](C)CC[C@@H]1C 84047364 573747896 /nfs/dbraw/zinc/74/78/96/573747896.db2.gz GWQQVHKVGHFYNN-IUCAKERBSA-N 0 0 167.252 1.819 10 0 ADAERN Cc1ccccc1[C@@]([NH3+])(CF)C(=O)[O-] 257863797 573747899 /nfs/dbraw/zinc/74/78/99/573747899.db2.gz RPFKJEDMEZGVRJ-JTQLQIEISA-N 0 0 197.209 1.203 10 0 ADAERN CC[C@@H]1CSC[C@H]1O 122465319 573747918 /nfs/dbraw/zinc/74/79/18/573747918.db2.gz OQXLDTAMAANFSQ-PHDIDXHHSA-N 0 0 132.228 1.120 10 0 ADAERN C/C=C\C[N@H+](CCC(=O)[O-])C1CC1 215342908 573747920 /nfs/dbraw/zinc/74/79/20/573747920.db2.gz UPOYIYIRROUMBP-IHWYPQMZSA-N 0 0 183.251 1.502 10 0 ADAERN OC[C@H](F)c1ccc2c(c1)OCCO2 108309191 573747930 /nfs/dbraw/zinc/74/79/30/573747930.db2.gz BWMXIEKTWOKWBU-QMMMGPOBSA-N 0 0 198.193 1.461 10 0 ADAERN C[C@@H](O)[C@@H]1CN(C)c2ccc(O)cc21 258115980 573747944 /nfs/dbraw/zinc/74/79/44/573747944.db2.gz OUYLMZLFFRGXBU-XCBNKYQSSA-N 0 0 193.246 1.306 10 0 ADAERN COC(=N)CNC(=O)c1ccccc1 238341182 573747957 /nfs/dbraw/zinc/74/79/57/573747957.db2.gz QGBZMVWPPZYWCK-UHFFFAOYSA-N 0 0 192.218 1.040 10 0 ADAERN CCC[C@@H](CCCOCC)NN 127006436 573747991 /nfs/dbraw/zinc/74/79/91/573747991.db2.gz GXWLKBGOMDSCEQ-VIFPVBQESA-N 0 0 174.288 1.435 10 0 ADAERN COC(=O)[C@](N)(C(C)C)C(F)(F)F 257872904 573747997 /nfs/dbraw/zinc/74/79/97/573747997.db2.gz QQVPRWFMLHBBFO-ZCFIWIBFSA-N 0 0 199.172 1.075 10 0 ADAERN Nc1ccccc1NC/C=C\CO 717550933 573747999 /nfs/dbraw/zinc/74/79/99/573747999.db2.gz OFZJQOCXDSOCNX-ARJAWSKDSA-N 0 0 178.235 1.229 10 0 ADAERN CCC[C@@H](NN)c1cc(C)nnc1C 127036427 573748000 /nfs/dbraw/zinc/74/80/00/573748000.db2.gz UZHVJOCWZRTMAI-SNVBAGLBSA-N 0 0 194.282 1.398 10 0 ADAERN CCn1cc(C)nc1N1CCCC1 257863251 573748013 /nfs/dbraw/zinc/74/80/13/573748013.db2.gz GHMPNEUPRPECGQ-UHFFFAOYSA-N 0 0 179.267 1.812 10 0 ADAERN CC1=C[C@H]2N[C@H](C)C=NN2C=C1 238497740 573748039 /nfs/dbraw/zinc/74/80/39/573748039.db2.gz VLQWNCNQLHVSJE-BDAKNGLRSA-N 0 0 163.224 1.066 10 0 ADAERN CC[C@H](C)[C@@H]1OCCCC1=O 205906498 573748042 /nfs/dbraw/zinc/74/80/42/573748042.db2.gz RTBHJBNFGACYRO-CBAPKCEASA-N 0 0 156.225 1.781 10 0 ADAERN CC[C@H](C)C(=O)Oc1cnn(C)c1 393561040 573748050 /nfs/dbraw/zinc/74/80/50/573748050.db2.gz CBBFBBKIPIPCCC-ZETCQYMHSA-N 0 0 182.223 1.372 10 0 ADAERN CC(=O)c1nc(C)c2c(n1)CCOC2 257863081 573748052 /nfs/dbraw/zinc/74/80/52/573748052.db2.gz RJBNTQNDDFJHRL-UHFFFAOYSA-N 0 0 192.218 1.060 10 0 ADAERN Cc1cc(OC2CC2)ccn1 238496519 573748069 /nfs/dbraw/zinc/74/80/69/573748069.db2.gz NXJGBUMOQCYZCQ-UHFFFAOYSA-N 0 0 149.193 1.931 10 0 ADAERN CC(=O)c1cc2cnncc2s1 238065119 573748070 /nfs/dbraw/zinc/74/80/70/573748070.db2.gz YDAWNLIHQHUUHN-UHFFFAOYSA-N 0 0 178.216 1.894 10 0 ADAERN C[C@H](F)[C@]([NH3+])(C(=O)[O-])c1ccccc1 257873440 573748071 /nfs/dbraw/zinc/74/80/71/573748071.db2.gz UAERAPUJSFFOEH-OIBJUYFYSA-N 0 0 197.209 1.283 10 0 ADAERN CC(=O)Cc1ncn2c1CC[C@@H](C)C2 107355318 573748078 /nfs/dbraw/zinc/74/80/78/573748078.db2.gz XXHMFIUXLRFMQF-MRVPVSSYSA-N 0 0 192.262 1.597 10 0 ADAERN C[C@]1([C@H]2CCCSC2)CNC(=O)C1 257862557 573748083 /nfs/dbraw/zinc/74/80/83/573748083.db2.gz OXLJBNOXTTVVAA-WCBMZHEXSA-N 0 0 199.319 1.656 10 0 ADAERN CCc1ccccc1[C@@H]1COC[C@H]1O 687965937 573748117 /nfs/dbraw/zinc/74/81/17/573748117.db2.gz VRGVPCOKLAWJKO-NWDGAFQWSA-N 0 0 192.258 1.724 10 0 ADAERN Cn1c(N)nc2c(c1=S)CCCC2 108305675 573748118 /nfs/dbraw/zinc/74/81/18/573748118.db2.gz GGFFEXHLLMZDKF-UHFFFAOYSA-N 0 0 195.291 1.611 10 0 ADAERN CCSCc1nc(N)cn1C 257863194 573748120 /nfs/dbraw/zinc/74/81/20/573748120.db2.gz GDXZFMDSDHYFNE-UHFFFAOYSA-N 0 0 171.269 1.255 10 0 ADAERN CC[C@@H](C)C(=O)Oc1cnn(C)c1 393561037 573748131 /nfs/dbraw/zinc/74/81/31/573748131.db2.gz CBBFBBKIPIPCCC-SSDOTTSWSA-N 0 0 182.223 1.372 10 0 ADAERN CC(=O)CC(=O)N1C[C@H](C)CC[C@H]1C 84049927 573748166 /nfs/dbraw/zinc/74/81/66/573748166.db2.gz AQSPFHWEWODZSJ-RKDXNWHRSA-N 0 0 197.278 1.613 10 0 ADAERN Cc1cc(CCCO)cc(O)c1F 258115938 573748172 /nfs/dbraw/zinc/74/81/72/573748172.db2.gz QAOSIGGGFPXQON-UHFFFAOYSA-N 0 0 184.210 1.765 10 0 ADAERN C[C@H]1C[C@@H](CC(N)=O)CC1(C)C 238497385 573748176 /nfs/dbraw/zinc/74/81/76/573748176.db2.gz CKYPCAWOQFDBTN-YUMQZZPRSA-N 0 0 169.268 1.934 10 0 ADAERN C[C@H]1COCC[N@@H+]1C1CCC(O)CC1 108311228 573748190 /nfs/dbraw/zinc/74/81/90/573748190.db2.gz DXMDIGAWLPCUFO-WHXUTIOJSA-N 0 0 199.294 1.011 10 0 ADAERN Cc1nc(C(C)C)nc(C)c1CCO 257873225 573748203 /nfs/dbraw/zinc/74/82/03/573748203.db2.gz DVDFQAXPDSIDIG-UHFFFAOYSA-N 0 0 194.278 1.752 10 0 ADAERN C[C@H](F)[C@@]([NH3+])(C(=O)[O-])c1ccccc1 257873447 573748209 /nfs/dbraw/zinc/74/82/09/573748209.db2.gz UAERAPUJSFFOEH-XVKPBYJWSA-N 0 0 197.209 1.283 10 0 ADAERN C[C@@H]1COc2cc(CON)ccc21 258115965 573748211 /nfs/dbraw/zinc/74/82/11/573748211.db2.gz OUUWYEPECIDONO-SSDOTTSWSA-N 0 0 179.219 1.573 10 0 ADAERN O=C1CC[C@@H](c2ccccc2O)CN1 257860586 573748219 /nfs/dbraw/zinc/74/82/19/573748219.db2.gz BXASHEPMYISZOE-MRVPVSSYSA-N 0 0 191.230 1.386 10 0 ADAERN CNOc1cccc(OC)c1 257873139 573748230 /nfs/dbraw/zinc/74/82/30/573748230.db2.gz DKLQTZQMXVYMCN-UHFFFAOYSA-N 0 0 153.181 1.208 10 0 ADAERN Cc1c(C)c2c(c(C=O)c1O)OCO2 238497786 573748238 /nfs/dbraw/zinc/74/82/38/573748238.db2.gz AYLYIMQGHWDOSW-UHFFFAOYSA-N 0 0 194.186 1.550 10 0 ADAERN CC(=O)NC(=O)Nc1ccccc1O 238066859 573748278 /nfs/dbraw/zinc/74/82/78/573748278.db2.gz UHKFCYVSAYUSAX-UHFFFAOYSA-N 0 0 194.190 1.060 10 0 ADAERN COC1(C[C@@H](O)C2=COCC2)CCC1 308701403 573748290 /nfs/dbraw/zinc/74/82/90/573748290.db2.gz VCMBKBAXCPUCDX-SNVBAGLBSA-N 0 0 198.262 1.611 10 0 ADAERN CC1(c2nc(C=O)co2)CCOCC1 258115979 573748299 /nfs/dbraw/zinc/74/82/99/573748299.db2.gz PCYHKLNCZREOFH-UHFFFAOYSA-N 0 0 195.218 1.555 10 0 ADAERN CCSCc1c(N)cnn1CC 257864009 573748308 /nfs/dbraw/zinc/74/83/08/573748308.db2.gz CUMAHDZQGBYIAO-UHFFFAOYSA-N 0 0 185.296 1.738 10 0 ADAERN Clc1nncc([C@H]2CCCCO2)n1 257873072 573748313 /nfs/dbraw/zinc/74/83/13/573748313.db2.gz QVCJTPXTQZDSMS-SSDOTTSWSA-N 0 0 199.641 1.767 10 0 ADAERN C[C@H]1COc2cc(CON)ccc21 258115968 573748319 /nfs/dbraw/zinc/74/83/19/573748319.db2.gz OUUWYEPECIDONO-ZETCQYMHSA-N 0 0 179.219 1.573 10 0 ADAERN C[C@@]1(O)COc2ccccc2N1 238496592 573748327 /nfs/dbraw/zinc/74/83/27/573748327.db2.gz QYKZCGYAABULLV-SECBINFHSA-N 0 0 165.192 1.199 10 0 ADAERN C[C@@](F)(C[NH3+])c1ccc2c(c1)OCO2 108307794 573748344 /nfs/dbraw/zinc/74/83/44/573748344.db2.gz CRZHPBWTSKFLJA-SNVBAGLBSA-N 0 0 197.209 1.559 10 0 ADAERN C[S@@](=O)c1c(F)cnc2cc[nH]c12 238498238 573748354 /nfs/dbraw/zinc/74/83/54/573748354.db2.gz PTWFHKNHROAZNP-CYBMUJFWSA-N 0 0 198.222 1.439 10 0 ADAERN c1cc2c(nc1OCC1CC1)CCN2 257863894 573748366 /nfs/dbraw/zinc/74/83/66/573748366.db2.gz RQXGOYYLZNWHTB-UHFFFAOYSA-N 0 0 190.246 1.838 10 0 ADAERN Cc1ccc(Cl)c([C@@H]([NH3+])C(=O)[O-])c1 108311705 573748387 /nfs/dbraw/zinc/74/83/87/573748387.db2.gz KVTAXZVVKGZLJZ-MRVPVSSYSA-N 0 0 199.637 1.733 10 0 ADAERN C/C=C1/C=C(C)C2(CC2)[C@@](C)(O)[C@H]1O 238076913 573748398 /nfs/dbraw/zinc/74/83/98/573748398.db2.gz SBQQUUWVEIZPIM-XXLCQIKASA-N 0 0 194.274 1.785 10 0 ADAERN CCOc1ccncc1[C@@H](CC)NN 308700787 573748422 /nfs/dbraw/zinc/74/84/22/573748422.db2.gz UXFSGSIYSYISID-SECBINFHSA-N 0 0 195.266 1.395 10 0 ADAERN C/C=C\[C@@H](O)[C@H](O)c1ccccc1 214837440 573748435 /nfs/dbraw/zinc/74/84/35/573748435.db2.gz PPWSYJNJVOLOQY-PSGZFOFYSA-N 0 0 178.231 1.657 10 0 ADAERN C[S@@](=O)/C=C(/CO)c1ccccc1 238498086 573748440 /nfs/dbraw/zinc/74/84/40/573748440.db2.gz QSAIGQUGWHVXEP-CHOZFAJLSA-N 0 0 196.271 1.398 10 0 ADAERN COc1ccc([C@H]2CC(=O)NO2)cc1 257863849 573748456 /nfs/dbraw/zinc/74/84/56/573748456.db2.gz RQGPPBPAMOMULC-SECBINFHSA-N 0 0 193.202 1.188 10 0 ADAERN CC(C)(O)Cc1ccc2c(c1)CCN2 257863121 573748466 /nfs/dbraw/zinc/74/84/66/573748466.db2.gz RLFUJAOGPYPUCM-UHFFFAOYSA-N 0 0 191.274 1.968 10 0 ADAERN CC[C@H]1CCC(=O)[C@H](CO)C1 143343382 573750763 /nfs/dbraw/zinc/75/07/63/573750763.db2.gz KMYFFYBWKHRUSJ-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@H]1CC[C@@H](C)N(C(N)=S)C1 84047696 573750772 /nfs/dbraw/zinc/75/07/72/573750772.db2.gz GQTIBSVVDXAFDP-NKWVEPMBSA-N 0 0 172.297 1.350 10 0 ADAERN Cc1ccc(F)c([C@H](C[NH3+])C(=O)[O-])c1 108307804 573751567 /nfs/dbraw/zinc/75/15/67/573751567.db2.gz OLABXUHUSKSGQD-QMMMGPOBSA-N 0 0 197.209 1.261 10 0 ADAERN C[C@@]1(O)Nc2ccccc2C1=O 238497434 573750797 /nfs/dbraw/zinc/75/07/97/573750797.db2.gz PQQJYONDPLIFSH-VIFPVBQESA-N 0 0 163.176 1.003 10 0 ADAERN CCCOCCCNC(=O)CCC 131070922 573750800 /nfs/dbraw/zinc/75/08/00/573750800.db2.gz INVXSOJVHGMGTH-UHFFFAOYSA-N 0 0 187.283 1.719 10 0 ADAERN Cc1nccn1C(=O)[C@@H](O)C(C)(C)C 238496904 573750848 /nfs/dbraw/zinc/75/08/48/573750848.db2.gz WNVGNIGWZCTFHO-MRVPVSSYSA-N 0 0 196.250 1.239 10 0 ADAERN O=C([O-])CCCC[NH2+]Cc1ccc[nH]1 258908633 573750867 /nfs/dbraw/zinc/75/08/67/573750867.db2.gz PAPCGERVXVGBBO-UHFFFAOYSA-N 0 0 196.250 1.359 10 0 ADAERN C[N@H+](CC(C)(C)CC(=O)[O-])C1CCC1 258908564 573750881 /nfs/dbraw/zinc/75/08/81/573750881.db2.gz OZGXQHQWWQEJQU-UHFFFAOYSA-N 0 0 199.294 1.972 10 0 ADAERN C[C@@H](C(=O)[O-])[N@@H+]1C[C@H](C)CC[C@H]1C 84049408 573750887 /nfs/dbraw/zinc/75/08/87/573750887.db2.gz JLIBXOXFODKUFV-HLTSFMKQSA-N 0 0 185.267 1.580 10 0 ADAERN Cc1ccsc1[C@H]1CN(C)C(=O)N1 259619615 573750888 /nfs/dbraw/zinc/75/08/88/573750888.db2.gz XMXXPBULVVKOTK-SSDOTTSWSA-N 0 0 196.275 1.753 10 0 ADAERN CC(=O)c1cc2cnoc2cn1 238065163 573750900 /nfs/dbraw/zinc/75/09/00/573750900.db2.gz ZTDCVZJVPZTLSX-UHFFFAOYSA-N 0 0 162.148 1.425 10 0 ADAERN CSc1nc(N)nc(C)c1C(C)=O 108308049 573750909 /nfs/dbraw/zinc/75/09/09/573750909.db2.gz KUEOXZREMJPMCQ-UHFFFAOYSA-N 0 0 197.263 1.292 10 0 ADAERN CC(=O)C1=N[C@@H]1c1ccccc1 238067608 573750935 /nfs/dbraw/zinc/75/09/35/573750935.db2.gz XYPAFJIQJKSMPN-SNVBAGLBSA-N 0 0 159.188 1.771 10 0 ADAERN C/C=C/[C@H]1NC(C)(C)SC1=O 238063019 573750996 /nfs/dbraw/zinc/75/09/96/573750996.db2.gz QSOORWFTRLIAJV-BMMSZFGTSA-N 0 0 171.265 1.530 10 0 ADAERN COCCCCn1cccc1[C@H](C)O 131072757 573751005 /nfs/dbraw/zinc/75/10/05/573751005.db2.gz HVPBQNVNNSBSHE-JTQLQIEISA-N 0 0 197.278 1.968 10 0 ADAERN O=C1NOC[C@H](c2cccc(F)c2)O1 257873719 573751013 /nfs/dbraw/zinc/75/10/13/573751013.db2.gz UEAHMNSBEYLOCV-MRVPVSSYSA-N 0 0 197.165 1.538 10 0 ADAERN CCc1noc(-c2ccc(C[NH3+])o2)n1 87043493 573751033 /nfs/dbraw/zinc/75/10/33/573751033.db2.gz FGAMJZGJPVKKHC-UHFFFAOYSA-N 0 0 193.206 1.351 10 0 ADAERN O=C([O-])[C@@H]1Cc2occ3c2[C@H](C1)[NH2+]C3 98101170 573751034 /nfs/dbraw/zinc/75/10/34/573751034.db2.gz AVEKPNXUJUJCQY-FSPLSTOPSA-N 0 0 193.202 1.071 10 0 ADAERN C[C@@]12CC[C@@H](C1)[C@@](C)(O)C2=O 238498249 573751041 /nfs/dbraw/zinc/75/10/41/573751041.db2.gz QHAHWRWJEAOOJD-NBEYISGCSA-N 0 0 154.209 1.127 10 0 ADAERN COc1ccc(C)c(O)c1C[C@@H](C)O 258116224 573751048 /nfs/dbraw/zinc/75/10/48/573751048.db2.gz QFHSBODWXKABDZ-MRVPVSSYSA-N 0 0 196.246 1.633 10 0 ADAERN Cc1cccc([C@@H]2[NH2+]C[C@H]2C(=O)[O-])c1 257865457 573751071 /nfs/dbraw/zinc/75/10/71/573751071.db2.gz RYINCPKNAXYAAQ-ZJUUUORDSA-N 0 0 191.230 1.340 10 0 ADAERN CCN(CC(C)(C)C)c1nnc(N)o1 308707625 573751073 /nfs/dbraw/zinc/75/10/73/573751073.db2.gz XJVRGTLNRZYKBB-UHFFFAOYSA-N 0 0 198.270 1.524 10 0 ADAERN CC1=C[C@H](O)C[C@@H]1C 143321804 573751079 /nfs/dbraw/zinc/75/10/79/573751079.db2.gz IDNNSNJUAIJFCE-BQBZGAKWSA-N 0 0 112.172 1.333 10 0 ADAERN C[C@]12CC[C@H]1[C@@](C)(O)C(=O)C2 238497991 573751091 /nfs/dbraw/zinc/75/10/91/573751091.db2.gz ZXVGXZKHMPKIOK-FTLITQJKSA-N 0 0 154.209 1.127 10 0 ADAERN Cc1c(C)c2c(c(C)c1N)CC(=O)N2 238496823 573751099 /nfs/dbraw/zinc/75/10/99/573751099.db2.gz FWTFTGQOHNWIOX-UHFFFAOYSA-N 0 0 190.246 1.689 10 0 ADAERN Cc1cc(C=O)c(C=O)cc1C=O 143341183 573751112 /nfs/dbraw/zinc/75/11/12/573751112.db2.gz PHGCHQXJJKPBLD-UHFFFAOYSA-N 0 0 176.171 1.433 10 0 ADAERN CCc1nnc([C@H]2CSCCN2)o1 257865227 573751117 /nfs/dbraw/zinc/75/11/17/573751117.db2.gz PKUQYOOYQRGVSI-ZCFIWIBFSA-N 0 0 199.279 1.010 10 0 ADAERN Cc1nc2cccnc2n1CCCO 258908395 573751120 /nfs/dbraw/zinc/75/11/20/573751120.db2.gz VNGALAYEAPKTBX-UHFFFAOYSA-N 0 0 191.234 1.122 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)C=CN2 238498119 573751124 /nfs/dbraw/zinc/75/11/24/573751124.db2.gz HJTUSJDXYRODRL-SNVBAGLBSA-N 0 0 161.204 1.968 10 0 ADAERN OCc1n[nH]cc1C1CCCC1 257864782 573751129 /nfs/dbraw/zinc/75/11/29/573751129.db2.gz WOVVKGGJUKILMT-UHFFFAOYSA-N 0 0 166.224 1.560 10 0 ADAERN CC[C@@H]1CCC(=O)[C@H](CO)C1 143343173 573751140 /nfs/dbraw/zinc/75/11/40/573751140.db2.gz KMYFFYBWKHRUSJ-SFYZADRCSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1)N(C)CC2 257865820 573751145 /nfs/dbraw/zinc/75/11/45/573751145.db2.gz HPEPNOOMKODUOP-VIFPVBQESA-N 0 0 191.274 1.775 10 0 ADAERN Cn1cc(C=O)c2c(=O)cc[nH]c21 143310053 573751158 /nfs/dbraw/zinc/75/11/58/573751158.db2.gz GSVGODFEPFWYPW-UHFFFAOYSA-N 0 0 176.175 1.091 10 0 ADAERN Nc1cnncc1-c1ccccc1O 257865971 573751164 /nfs/dbraw/zinc/75/11/64/573751164.db2.gz CKMIPULOZXHCFN-UHFFFAOYSA-N 0 0 187.202 1.431 10 0 ADAERN C[S@@](=O)Cc1ccccc1CO 238497279 573751165 /nfs/dbraw/zinc/75/11/65/573751165.db2.gz FDHNGFKNMZQTHM-GFCCVEGCSA-N 0 0 184.260 1.057 10 0 ADAERN COc1cc(C=O)c(CO)cc1OC 258116205 573751167 /nfs/dbraw/zinc/75/11/67/573751167.db2.gz QFBZSLPCXYNVLC-UHFFFAOYSA-N 0 0 196.202 1.009 10 0 ADAERN CC(=O)C[C@H]1CCCOCC1 143441529 573751171 /nfs/dbraw/zinc/75/11/71/573751171.db2.gz IHFXGCHUVPWAKJ-VIFPVBQESA-N 0 0 156.225 1.782 10 0 ADAERN C=C(NC(C)=O)c1nccs1 238064653 573751172 /nfs/dbraw/zinc/75/11/72/573751172.db2.gz YHJSNVJTNJDYCJ-UHFFFAOYSA-N 0 0 168.221 1.250 10 0 ADAERN CC1=C(C)C[C@@H]2C(=O)NC(=O)[C@H]2C1 143313834 573751187 /nfs/dbraw/zinc/75/11/87/573751187.db2.gz NAJZZQKMQQIKNI-YUMQZZPRSA-N 0 0 179.219 1.005 10 0 ADAERN COC[C@]1(O)CCc2c(C)cccc21 257864442 573751188 /nfs/dbraw/zinc/75/11/88/573751188.db2.gz RSGARNMDQSIZIB-GFCCVEGCSA-N 0 0 192.258 1.775 10 0 ADAERN OCC[C@H]1CCNc2cc(O)ccc21 257865482 573751204 /nfs/dbraw/zinc/75/12/04/573751204.db2.gz RZURKFBEJWBOJI-MRVPVSSYSA-N 0 0 193.246 1.674 10 0 ADAERN Cc1cc(OC(F)F)cnc1CO 238497368 573751215 /nfs/dbraw/zinc/75/12/15/573751215.db2.gz SZPWMMWQOQHMNR-UHFFFAOYSA-N 0 0 189.161 1.484 10 0 ADAERN CC(=O)S[C@H]1CCO[C@@H]1C 238497324 573751221 /nfs/dbraw/zinc/75/12/21/573751221.db2.gz HZJHVQDTGJRROR-VDTYLAMSSA-N 0 0 160.238 1.444 10 0 ADAERN C[C@@]1(F)C(=O)[C@@]1(C)F 238497733 573751226 /nfs/dbraw/zinc/75/12/26/573751226.db2.gz NZZZWGHUUFEGRS-RFZPGFLSSA-N 0 0 120.098 1.026 10 0 ADAERN C[S@@](=O)[C@@]1(C)CCCCC1=O 238497886 573751233 /nfs/dbraw/zinc/75/12/33/573751233.db2.gz LVLQJCQAXMMHPB-GZMMTYOYSA-N 0 0 174.265 1.267 10 0 ADAERN CCn1nc(CO)c2c1CCC[C@H]2F 257864326 573751235 /nfs/dbraw/zinc/75/12/35/573751235.db2.gz PGYXSVVQRIMVJO-SSDOTTSWSA-N 0 0 198.241 1.742 10 0 ADAERN OC[C@H](F)c1cccc2c1OCCO2 108309198 573751281 /nfs/dbraw/zinc/75/12/81/573751281.db2.gz NMTHRCJUYHBANI-QMMMGPOBSA-N 0 0 198.193 1.461 10 0 ADAERN Cc1ccc(C(F)(F)CO)o1 257864824 573751297 /nfs/dbraw/zinc/75/12/97/573751297.db2.gz WSPVUXSAAVJFQW-UHFFFAOYSA-N 0 0 162.135 1.672 10 0 ADAERN COC(=O)c1sc(N)c2c1OCC2 108310850 573751299 /nfs/dbraw/zinc/75/12/99/573751299.db2.gz DBNIWILABRMCOE-UHFFFAOYSA-N 0 0 199.231 1.052 10 0 ADAERN Cc1nccc(C(=O)c2cccnc2)n1 125027054 573751306 /nfs/dbraw/zinc/75/13/06/573751306.db2.gz JWOFLVVZKDSMGW-UHFFFAOYSA-N 0 0 199.213 1.411 10 0 ADAERN Cc1coc2ccc(O)cc2c1=O 238496971 573751317 /nfs/dbraw/zinc/75/13/17/573751317.db2.gz MNKGEHNBAVAESQ-UHFFFAOYSA-N 0 0 176.171 1.807 10 0 ADAERN CC(=O)C[C@@H]1C[C@H](C)O[C@@H](C)O1 238497315 573751341 /nfs/dbraw/zinc/75/13/41/573751341.db2.gz SOHYLUKPOALTAG-DJLDLDEBSA-N 0 0 172.224 1.506 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H](C)O)C1=O 143316024 573751347 /nfs/dbraw/zinc/75/13/47/573751347.db2.gz VXQHHYOCXFMROU-BWZBUEFSSA-N 0 0 156.225 1.373 10 0 ADAERN CCn1nc(C=O)c2c1CC[C@@]2(C)F 257865479 573751351 /nfs/dbraw/zinc/75/13/51/573751351.db2.gz RZIWDHDZFZHLQY-SNVBAGLBSA-N 0 0 196.225 1.846 10 0 ADAERN CO[C@]1(CO)CCc2c(O)cccc21 257865425 573751358 /nfs/dbraw/zinc/75/13/58/573751358.db2.gz RWWQBMPEMUJXOP-NSHDSACASA-N 0 0 194.230 1.172 10 0 ADAERN Cc1c(C)c2c(c(C)c1O)C(=O)CO2 238497107 573751361 /nfs/dbraw/zinc/75/13/61/573751361.db2.gz IMALPNIXMVBVME-UHFFFAOYSA-N 0 0 192.214 1.893 10 0 ADAERN CC[C@@]1(CO)CCCC[C@H]1O 143350958 573751371 /nfs/dbraw/zinc/75/13/71/573751371.db2.gz GCSZROHCKLJGFV-BDAKNGLRSA-N 0 0 158.241 1.310 10 0 ADAERN OC/C=C\C[C@@H]1CCSC1 258116528 573751379 /nfs/dbraw/zinc/75/13/79/573751379.db2.gz HZTPNTHIVIRVAT-SLYZXXNYSA-N 0 0 158.266 1.678 10 0 ADAERN CCC[C@H]1CC(=O)[C@@H](CO)C1 143310727 573751389 /nfs/dbraw/zinc/75/13/89/573751389.db2.gz SOQLMLQOJHYGOB-HTQZYQBOSA-N 0 0 156.225 1.374 10 0 ADAERN C[C@@H](CC(O)O)c1ccccc1 143335391 573751397 /nfs/dbraw/zinc/75/13/97/573751397.db2.gz MPRRVQZSIQBRHC-QMMMGPOBSA-N 0 0 166.220 1.491 10 0 ADAERN [NH3+]C[C@H]1CCc2ccc(C(=O)[O-])cc21 257864520 573751411 /nfs/dbraw/zinc/75/14/11/573751411.db2.gz RSUZNQBSXAEFFC-SECBINFHSA-N 0 0 191.230 1.373 10 0 ADAERN C/C=C1/C=C(C)C2(CC2)[C@](C)(O)[C@@H]1O 238076941 573751418 /nfs/dbraw/zinc/75/14/18/573751418.db2.gz SBQQUUWVEIZPIM-MTUFZTHRSA-N 0 0 194.274 1.785 10 0 ADAERN COC(=O)c1cc(N)n(C(C)(C)C)n1 257864604 573751420 /nfs/dbraw/zinc/75/14/20/573751420.db2.gz RUNRCCJHESJFFI-UHFFFAOYSA-N 0 0 197.238 1.007 10 0 ADAERN CC1=C(C)C[C@H]2C(=O)NC(=O)[C@@H]2C1 143313441 573751422 /nfs/dbraw/zinc/75/14/22/573751422.db2.gz NAJZZQKMQQIKNI-HTQZYQBOSA-N 0 0 179.219 1.005 10 0 ADAERN C[C@H]1CC[N@@H+]1Cc1ccc(C(=O)[O-])o1 87043626 573751437 /nfs/dbraw/zinc/75/14/37/573751437.db2.gz PSJLDKJNWXGKQM-ZETCQYMHSA-N 0 0 195.218 1.572 10 0 ADAERN CC1=C[C@H](O)C[C@H]1C 143321605 573751443 /nfs/dbraw/zinc/75/14/43/573751443.db2.gz IDNNSNJUAIJFCE-RQJHMYQMSA-N 0 0 112.172 1.333 10 0 ADAERN C[S@@](=O)Cc1ccc(O)cc1 238497178 573751469 /nfs/dbraw/zinc/75/14/69/573751469.db2.gz HYOSACCHTUYIDP-LLVKDONJSA-N 0 0 170.233 1.271 10 0 ADAERN CC(C)SCc1oncc1N 257864946 573751471 /nfs/dbraw/zinc/75/14/71/573751471.db2.gz DCWIPLGDVNUELE-UHFFFAOYSA-N 0 0 172.253 1.898 10 0 ADAERN Cc1coc2c(N)cccc2c1=O 238496852 573751477 /nfs/dbraw/zinc/75/14/77/573751477.db2.gz DJIDVYHHFBOXGE-UHFFFAOYSA-N 0 0 175.187 1.684 10 0 ADAERN CC(=O)c1cc2oncc2cn1 238065504 573751479 /nfs/dbraw/zinc/75/14/79/573751479.db2.gz ALVFCVUEEHJFKV-UHFFFAOYSA-N 0 0 162.148 1.425 10 0 ADAERN COCCCCn1cccc1[C@@H](C)O 131072983 573751480 /nfs/dbraw/zinc/75/14/80/573751480.db2.gz HVPBQNVNNSBSHE-SNVBAGLBSA-N 0 0 197.278 1.968 10 0 ADAERN C[C@@](F)(CO)c1cccc(O)c1 257865545 573751556 /nfs/dbraw/zinc/75/15/56/573751556.db2.gz WTUQGIAMKZCXBK-SECBINFHSA-N 0 0 170.183 1.569 10 0 ADAERN Nc1c(F)cccc1Cc1cc[nH]n1 257865395 573751510 /nfs/dbraw/zinc/75/15/10/573751510.db2.gz RVRQAJPOQOAYGK-UHFFFAOYSA-N 0 0 191.209 1.722 10 0 ADAERN Cc1ccc(Cc2ccc(N)nn2)cc1 74215052 573751512 /nfs/dbraw/zinc/75/15/12/573751512.db2.gz RNHYXGGQZISIBS-UHFFFAOYSA-N 0 0 199.257 1.958 10 0 ADAERN COc1c(C)c(C)cc(C)c1NCO 258907164 573751525 /nfs/dbraw/zinc/75/15/25/573751525.db2.gz LOZBRZJHVNPJGK-UHFFFAOYSA-N 0 0 195.262 1.982 10 0 ADAERN O=C([O-])[C@@H]1[C@H]2C[C@H]2C[N@@H+]1C1CCCC1 257865427 573751539 /nfs/dbraw/zinc/75/15/39/573751539.db2.gz RXCMHBDHMDUXHW-HGNGGELXSA-N 0 0 195.262 1.334 10 0 ADAERN C[C@H]1O[C@@H]1[C@@H](O)C1CCCCC1 238504832 573754143 /nfs/dbraw/zinc/75/41/43/573754143.db2.gz UHNSGEXOTHKKDD-JEZHCXPESA-N 0 0 170.252 1.715 10 0 ADAERN C[C@H]1CC[C@H](C)N(C=O)C1 84055797 573755088 /nfs/dbraw/zinc/75/50/88/573755088.db2.gz QYEJGDZINNHYNG-YUMQZZPRSA-N 0 0 141.214 1.263 10 0 ADAERN CCOCC(=O)c1ccoc1 84062716 573755097 /nfs/dbraw/zinc/75/50/97/573755097.db2.gz WOOUEHCWOFBCBU-UHFFFAOYSA-N 0 0 154.165 1.499 10 0 ADAERN C[C@H]1CC[C@@H](C)N(C=O)C1 84055803 573755106 /nfs/dbraw/zinc/75/51/06/573755106.db2.gz QYEJGDZINNHYNG-JGVFFNPUSA-N 0 0 141.214 1.263 10 0 ADAERN C[C@]12C=CC[C@@H]1CCC2=O 238498416 573754174 /nfs/dbraw/zinc/75/41/74/573754174.db2.gz NLFZILBYJKTAAO-APPZFPTMSA-N 0 0 136.194 1.932 10 0 ADAERN CC[C@@H]1COC[C@]1(O)c1cscn1 687952123 573754181 /nfs/dbraw/zinc/75/41/81/573754181.db2.gz AJDGZTKQJGWNTM-VXNVDRBHSA-N 0 0 199.275 1.387 10 0 ADAERN CCNc1cncc(NN(C)C)c1 122472020 573754217 /nfs/dbraw/zinc/75/42/17/573754217.db2.gz DZKPDXIUXXJVCM-UHFFFAOYSA-N 0 0 180.255 1.402 10 0 ADAERN CC(C)[C@@]1(CO)CCCC[C@@H]1O 143317894 573754230 /nfs/dbraw/zinc/75/42/30/573754230.db2.gz ACROBIRWYHRIQE-UWVGGRQHSA-N 0 0 172.268 1.556 10 0 ADAERN CC(=O)C1=C(C)NCC1(C)C 238068401 573754249 /nfs/dbraw/zinc/75/42/49/573754249.db2.gz WQHDFIBISWPMON-MRVPVSSYSA-N 0 0 153.225 1.692 10 0 ADAERN CCC[C@@]1(CO)CCC[C@@H]1O 143330287 573754264 /nfs/dbraw/zinc/75/42/64/573754264.db2.gz XGCOOLIXMSHZBE-IUCAKERBSA-N 0 0 158.241 1.310 10 0 ADAERN Cc1cc(SC(N)=O)ccc1N 238505009 573754280 /nfs/dbraw/zinc/75/42/80/573754280.db2.gz JBOKRMPEAPTVBL-UHFFFAOYSA-N 0 0 182.248 1.748 10 0 ADAERN CCOCc1scnc1N 257864868 573754291 /nfs/dbraw/zinc/75/42/91/573754291.db2.gz CYKSDDAOHHVXGR-UHFFFAOYSA-N 0 0 158.226 1.262 10 0 ADAERN CC1(C)CC[C@H](C(=O)[O-])C[N@@H+]1C1CC1 259182025 573754305 /nfs/dbraw/zinc/75/43/05/573754305.db2.gz BCFWQXUZXYPUJH-QMMMGPOBSA-N 0 0 197.278 1.724 10 0 ADAERN CONCc1c(OC)ccc(C)c1C 258116290 573754311 /nfs/dbraw/zinc/75/43/11/573754311.db2.gz QGCVAHVRCXTZDA-UHFFFAOYSA-N 0 0 195.262 1.963 10 0 ADAERN C[C@@]1(c2ccccc2N)COC(=O)N1 257873593 573754327 /nfs/dbraw/zinc/75/43/27/573754327.db2.gz UBVMEBNSPWDPDF-JTQLQIEISA-N 0 0 192.218 1.224 10 0 ADAERN COC/C(C)=C/C[C@H](O)C[C@H](C)O 393562077 573754329 /nfs/dbraw/zinc/75/43/29/573754329.db2.gz GLBVNBHQSOJXRW-DQRKKKBRSA-N 0 0 188.267 1.101 10 0 ADAERN Cc1nc(C(F)F)cc(CO)c1F 238499552 573754336 /nfs/dbraw/zinc/75/43/36/573754336.db2.gz HNRXLVLVIHRFFJ-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN C[C@@H](O)Cc1c[nH]c2cc(O)ccc12 258116823 573754340 /nfs/dbraw/zinc/75/43/40/573754340.db2.gz JJKAROKGWUBRLW-SSDOTTSWSA-N 0 0 191.230 1.797 10 0 ADAERN C[C@@H](CNC=O)c1ccccc1 79159806 573754354 /nfs/dbraw/zinc/75/43/54/573754354.db2.gz LRAMSTVZXVELLI-VIFPVBQESA-N 0 0 163.220 1.536 10 0 ADAERN CC1=C[C@@H](O)C[C@@H]1C 143322252 573754356 /nfs/dbraw/zinc/75/43/56/573754356.db2.gz IDNNSNJUAIJFCE-NKWVEPMBSA-N 0 0 112.172 1.333 10 0 ADAERN [NH3+]C[C@@H]1CCc2ccc(C(=O)[O-])cc21 257864522 573754361 /nfs/dbraw/zinc/75/43/61/573754361.db2.gz RSUZNQBSXAEFFC-VIFPVBQESA-N 0 0 191.230 1.373 10 0 ADAERN CC[C@@H](CC(=O)[O-])Nc1[nH+]ccn1C 127048515 573754379 /nfs/dbraw/zinc/75/43/79/573754379.db2.gz AAQDVUINGMTTFO-ZETCQYMHSA-N 0 0 197.238 1.085 10 0 ADAERN Cn1ncc(N)c1-c1ccccc1O 257865475 573754380 /nfs/dbraw/zinc/75/43/80/573754380.db2.gz RZEOXKGMXWJREW-UHFFFAOYSA-N 0 0 189.218 1.375 10 0 ADAERN OCCc1cnn(C2CC2)c1Cl 257864684 573754393 /nfs/dbraw/zinc/75/43/93/573754393.db2.gz DAUZXZVBJZYJPU-UHFFFAOYSA-N 0 0 186.642 1.406 10 0 ADAERN C[C@]12CC(=O)CC[C@@H]1CCC2=O 238499421 573754415 /nfs/dbraw/zinc/75/44/15/573754415.db2.gz NWIMLQRJNGCZNI-XCBNKYQSSA-N 0 0 166.220 1.725 10 0 ADAERN CC[C@]1(CO)CCCC[C@@H]1O 143350357 573754419 /nfs/dbraw/zinc/75/44/19/573754419.db2.gz GCSZROHCKLJGFV-DTWKUNHWSA-N 0 0 158.241 1.310 10 0 ADAERN CC(=O)c1nc(N)oc1-c1ccco1 258907672 573754428 /nfs/dbraw/zinc/75/44/28/573754428.db2.gz VLHULQHDBFTDOX-UHFFFAOYSA-N 0 0 192.174 1.719 10 0 ADAERN CCn1nc(C=O)c2c1CC[C@]2(C)F 257865477 573754433 /nfs/dbraw/zinc/75/44/33/573754433.db2.gz RZIWDHDZFZHLQY-JTQLQIEISA-N 0 0 196.225 1.846 10 0 ADAERN C[C@H](O)[C@H](F)C[C@@H]1CCOC1 258421940 573754447 /nfs/dbraw/zinc/75/44/47/573754447.db2.gz CAQPRFBDILHQIN-BIIVOSGPSA-N 0 0 162.204 1.132 10 0 ADAERN OCc1nncn1C1CC(C2CC2)C1 714742030 573754454 /nfs/dbraw/zinc/75/44/54/573754454.db2.gz HPFLXPXCPAHZST-UHFFFAOYSA-N 0 0 193.250 1.132 10 0 ADAERN C[C@H](O)[C@H]1CCCCCC[C@@H]1O 143300682 573754458 /nfs/dbraw/zinc/75/44/58/573754458.db2.gz DUDOMGQXRHQSKD-AEJSXWLSSA-N 0 0 172.268 1.699 10 0 ADAERN CCOCC(=O)C1CCCC1 84062792 573754477 /nfs/dbraw/zinc/75/44/77/573754477.db2.gz UEMUANAVQBGXDX-UHFFFAOYSA-N 0 0 156.225 1.782 10 0 ADAERN Cc1c(C2(C)CC2)[nH]c(=S)[nH]c1=O 238499505 573754478 /nfs/dbraw/zinc/75/44/78/573754478.db2.gz OZZLOVNUOHQYBX-UHFFFAOYSA-N 0 0 196.275 1.792 10 0 ADAERN C[C@@]1(NC=O)C[C@H]2CC[C@@H]1C2 238499173 573754489 /nfs/dbraw/zinc/75/44/89/573754489.db2.gz USYBYUJZOXXKEL-DJLDLDEBSA-N 0 0 153.225 1.311 10 0 ADAERN C[C@]12C=CC[C@H](O)[C@@H]1CCC2=O 238498500 573754493 /nfs/dbraw/zinc/75/44/93/573754493.db2.gz KOTZVFYSTSLSAZ-NRPADANISA-N 0 0 166.220 1.293 10 0 ADAERN Cc1cc(C)c2c(cc(CO)n2C)n1 257864648 573754495 /nfs/dbraw/zinc/75/44/95/573754495.db2.gz RVEANVPQFYANGQ-UHFFFAOYSA-N 0 0 190.246 1.682 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@@H]2C[C@H]2C(=O)[O-])C1 259183982 573754497 /nfs/dbraw/zinc/75/44/97/573754497.db2.gz QOLXDHOGLUMBMT-IWSPIJDZSA-N 0 0 183.251 1.049 10 0 ADAERN CCOC[C@H](O)c1ccsc1 84063436 573754535 /nfs/dbraw/zinc/75/45/35/573754535.db2.gz IFVCODZRZCKFNV-QMMMGPOBSA-N 0 0 172.249 1.818 10 0 ADAERN Cc1c(C(=O)[O-])cccc1C1C[NH2+]C1 238499806 573754537 /nfs/dbraw/zinc/75/45/37/573754537.db2.gz YIHJSODNAZXFRF-UHFFFAOYSA-N 0 0 191.230 1.380 10 0 ADAERN C/C(=C/c1cn(C)nc1C)[N+](=O)[O-] 215846921 573754548 /nfs/dbraw/zinc/75/45/48/573754548.db2.gz PHFMUUDJIDDEMV-XQRVVYSFSA-N 0 0 181.195 1.366 10 0 ADAERN CCN1C(=O)CNc2cccc(O)c21 259184409 573754575 /nfs/dbraw/zinc/75/45/75/573754575.db2.gz JVEATJLUBKLQDB-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN CC1=C(C)C[C@H]2C(=O)NC(=O)[C@H]2C1 143313627 573754579 /nfs/dbraw/zinc/75/45/79/573754579.db2.gz NAJZZQKMQQIKNI-OCAPTIKFSA-N 0 0 179.219 1.005 10 0 ADAERN CC(C)SCc1nc(N)cn1C 257865223 573754590 /nfs/dbraw/zinc/75/45/90/573754590.db2.gz GVPKXOCVFWVPJV-UHFFFAOYSA-N 0 0 185.296 1.644 10 0 ADAERN C[C@H]1C[C@@H](CO)C(=O)C[C@H]1C 238499583 573754638 /nfs/dbraw/zinc/75/46/38/573754638.db2.gz DBOYQWGIKZXUEY-RNJXMRFFSA-N 0 0 156.225 1.230 10 0 ADAERN NNc1ccc2ncoc2c1 259182062 573754653 /nfs/dbraw/zinc/75/46/53/573754653.db2.gz JXIGNQBWEQZSJC-UHFFFAOYSA-N 0 0 149.153 1.113 10 0 ADAERN CC(C)Cc1nn2ccc(=O)cc2[nH]1 257873669 573754667 /nfs/dbraw/zinc/75/46/67/573754667.db2.gz BJZXIRLJDSYHBJ-UHFFFAOYSA-N 0 0 191.234 1.633 10 0 ADAERN C[C@H]1OCCc2cc[nH]c(=O)c21 238498723 573754668 /nfs/dbraw/zinc/75/46/68/573754668.db2.gz PBPPXCDVVXANMK-ZCFIWIBFSA-N 0 0 165.192 1.009 10 0 ADAERN COC[C@@]1(O)CCc2c(C)cccc21 257864444 573754671 /nfs/dbraw/zinc/75/46/71/573754671.db2.gz RSGARNMDQSIZIB-LBPRGKRZSA-N 0 0 192.258 1.775 10 0 ADAERN O=C1N[C@H]2C[C@@H]1CC2=C(Cl)Cl 238499708 573754688 /nfs/dbraw/zinc/75/46/88/573754688.db2.gz ZRTBHNXNKDPMCS-UCORVYFPSA-N 0 0 192.045 1.584 10 0 ADAERN Nc1cccc([C@H]2CCNC(=O)N2)c1 257865499 573754691 /nfs/dbraw/zinc/75/46/91/573754691.db2.gz SAJPMQANZKIQCG-SECBINFHSA-N 0 0 191.234 1.013 10 0 ADAERN O=C1NOC[C@@H](c2cccc(F)c2)O1 257873720 573754717 /nfs/dbraw/zinc/75/47/17/573754717.db2.gz UEAHMNSBEYLOCV-QMMMGPOBSA-N 0 0 197.165 1.538 10 0 ADAERN CCCC(=O)c1ccnc(C)n1 125043078 573754718 /nfs/dbraw/zinc/75/47/18/573754718.db2.gz YNOJKOAQDLLJIO-UHFFFAOYSA-N 0 0 164.208 1.768 10 0 ADAERN CCC[C@@H](COC(C)(C)C)NN 127046768 573754776 /nfs/dbraw/zinc/75/47/76/573754776.db2.gz FYEYOUIVWXTHRI-QMMMGPOBSA-N 0 0 174.288 1.434 10 0 ADAERN COC(=O)[C@H](C)[C@H](C)c1ocnc1C 259564960 573754779 /nfs/dbraw/zinc/75/47/79/573754779.db2.gz CRRZAWOTWYQIJC-NKWVEPMBSA-N 0 0 197.234 1.896 10 0 ADAERN CC(=O)[C@H]1C[C@@H]1C(F)(F)F 238080879 573754834 /nfs/dbraw/zinc/75/48/34/573754834.db2.gz HLRSCLZOPAQXLQ-UHNVWZDZSA-N 0 0 152.115 1.774 10 0 ADAERN Cc1cc(ON)ccc1F 238498932 573754835 /nfs/dbraw/zinc/75/48/35/573754835.db2.gz IIMQTLKNSIISAY-UHFFFAOYSA-N 0 0 141.145 1.387 10 0 ADAERN COC(=O)c1nc(-c2ccc[nH]2)c[nH]1 259184394 573754846 /nfs/dbraw/zinc/75/48/46/573754846.db2.gz WIDIZDHMKUBIQR-UHFFFAOYSA-N 0 0 191.190 1.191 10 0 ADAERN Cc1cc([S@@](C)=O)cc(C)c1O 238498374 573754861 /nfs/dbraw/zinc/75/48/61/573754861.db2.gz FSMDMRDJWUQRQD-GFCCVEGCSA-N 0 0 184.260 1.746 10 0 ADAERN C[C@@H]1CC[C@@H](C)N(C=O)C1 84055798 573754875 /nfs/dbraw/zinc/75/48/75/573754875.db2.gz QYEJGDZINNHYNG-HTQZYQBOSA-N 0 0 141.214 1.263 10 0 ADAERN CCOCc1nsc(NC)n1 84065493 573754901 /nfs/dbraw/zinc/75/49/01/573754901.db2.gz GLPKIFBBEIXAKG-UHFFFAOYSA-N 0 0 173.241 1.116 10 0 ADAERN CC(=O)S[C@@H]1CCO[C@@H]1C 238498385 573754903 /nfs/dbraw/zinc/75/49/03/573754903.db2.gz HZJHVQDTGJRROR-IYSWYEEDSA-N 0 0 160.238 1.444 10 0 ADAERN Cc1cc(C)c2ccc(CO)nc2n1 238498672 573754929 /nfs/dbraw/zinc/75/49/29/573754929.db2.gz KDARCHKSOOBWIX-UHFFFAOYSA-N 0 0 188.230 1.739 10 0 ADAERN CCOC[C@H](O)C(C)C 84063069 573754933 /nfs/dbraw/zinc/75/49/33/573754933.db2.gz RYPQYENBXSEERY-ZETCQYMHSA-N 0 0 132.203 1.040 10 0 ADAERN CCc1cnc(C(C)=O)nc1 108331243 573754938 /nfs/dbraw/zinc/75/49/38/573754938.db2.gz AJLXLMLUAPTRPQ-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN C[S@](=O)C[C@@H]1CCCCC[C@@H]1O 238504956 573754954 /nfs/dbraw/zinc/75/49/54/573754954.db2.gz WJDDQLPNLBWDTD-AUTRQRHGSA-N 0 0 190.308 1.306 10 0 ADAERN O=[N+]([O-])/C=C/[C@H]1CCSC1 224654278 573754955 /nfs/dbraw/zinc/75/49/55/573754955.db2.gz GCQHIZUUPRTOKV-VWYTZYABSA-N 0 0 159.210 1.530 10 0 ADAERN CC(=O)[C@H]1CC[C@@]1(C)F 238077886 573754966 /nfs/dbraw/zinc/75/49/66/573754966.db2.gz OAIGBFGSMYQFGT-RNFRBKRXSA-N 0 0 130.162 1.714 10 0 ADAERN C[S@@](=O)c1cc(F)c(N)cc1F 238498485 573754997 /nfs/dbraw/zinc/75/49/97/573754997.db2.gz POAAWQGUEGGHRV-GFCCVEGCSA-N 0 0 191.202 1.284 10 0 ADAERN CC[C@@H]1COC[C@@]1(O)c1cscn1 687952113 573754999 /nfs/dbraw/zinc/75/49/99/573754999.db2.gz AJDGZTKQJGWNTM-APPZFPTMSA-N 0 0 199.275 1.387 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@@H]2C[C@@H]2C(=O)[O-])C1 259183979 573755000 /nfs/dbraw/zinc/75/50/00/573755000.db2.gz QOLXDHOGLUMBMT-HLTSFMKQSA-N 0 0 183.251 1.049 10 0 ADAERN CC/C(=C/c1cn(C)nc1C)CO 215866564 573755038 /nfs/dbraw/zinc/75/50/38/573755038.db2.gz NMQTTXALWURAGW-UITAMQMPSA-N 0 0 180.251 1.514 10 0 ADAERN CN[C@H](C)c1nncc(C2CCC2)n1 257868138 573755058 /nfs/dbraw/zinc/75/50/58/573755058.db2.gz SMAZTJBUUFINBW-SSDOTTSWSA-N 0 0 192.266 1.420 10 0 ADAERN CC(C)(C)[C@H]1C[C@H]1NC(N)=O 238097517 573755065 /nfs/dbraw/zinc/75/50/65/573755065.db2.gz IMLCFHQDNXLVJF-NTSWFWBYSA-N 0 0 156.229 1.089 10 0 ADAERN COCCCCCC(=O)COC 130982384 573755839 /nfs/dbraw/zinc/75/58/39/573755839.db2.gz QXSJWOQGICCNFO-UHFFFAOYSA-N 0 0 174.240 1.409 10 0 ADAERN C[C@]12CCC/C(=C\CO)[C@H]1O2 238504980 573755841 /nfs/dbraw/zinc/75/58/41/573755841.db2.gz WOJUZLRFIIXDAF-CNTVWIKJSA-N 0 0 154.209 1.247 10 0 ADAERN C[C@]1([C@H]2CCC[NH2+]C2)C[C@H]1C(=O)[O-] 257866866 573755844 /nfs/dbraw/zinc/75/58/44/573755844.db2.gz AAICWPCGVSTCPH-OYNCUSHFSA-N 0 0 183.251 1.097 10 0 ADAERN CCOC[C@@H](O)C(C)C 84063070 573755846 /nfs/dbraw/zinc/75/58/46/573755846.db2.gz RYPQYENBXSEERY-SSDOTTSWSA-N 0 0 132.203 1.040 10 0 ADAERN COC[C@@H]1COc2cccc(N)c2C1 257866556 573755849 /nfs/dbraw/zinc/75/58/49/573755849.db2.gz SFULNLQYUOTVGQ-MRVPVSSYSA-N 0 0 193.246 1.466 10 0 ADAERN ONCc1cccc(C2COC2)c1 258117059 573755855 /nfs/dbraw/zinc/75/58/55/573755855.db2.gz ZMRHAOKQVOBRNI-UHFFFAOYSA-N 0 0 179.219 1.279 10 0 ADAERN CC(C)(N)S(=O)(=O)c1ccccc1 259184362 573755861 /nfs/dbraw/zinc/75/58/61/573755861.db2.gz ISCQWFPVMSNFAD-UHFFFAOYSA-N 0 0 199.275 1.155 10 0 ADAERN C[C@H](CO)c1cccc2c1OCO2 258120674 573755862 /nfs/dbraw/zinc/75/58/62/573755862.db2.gz ZZZYYBKNDNZWCT-SSDOTTSWSA-N 0 0 180.203 1.511 10 0 ADAERN Cc1cc(C)c2ccnn2c1 238499081 573755883 /nfs/dbraw/zinc/75/58/83/573755883.db2.gz FZURVBGMNXKIPJ-UHFFFAOYSA-N 0 0 146.193 1.951 10 0 ADAERN C[C@](F)(CO)c1ccc2c(c1)OCO2 257868040 573755910 /nfs/dbraw/zinc/75/59/10/573755910.db2.gz XOMFLZGFZKPBPW-JTQLQIEISA-N 0 0 198.193 1.592 10 0 ADAERN Cc1nc(C(F)F)cc(C=O)c1N 238498372 573755911 /nfs/dbraw/zinc/75/59/11/573755911.db2.gz WVPJTRIKLKJPTH-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cn1c2c(c(=O)[nH]c1=S)CCCC2 143450741 573755912 /nfs/dbraw/zinc/75/59/12/573755912.db2.gz VACNUVANMWNIAE-UHFFFAOYSA-N 0 0 196.275 1.322 10 0 ADAERN Cc1ccc(O)c(CCON)c1C 258120127 573755928 /nfs/dbraw/zinc/75/59/28/573755928.db2.gz ZVGIGUMHDBKSPO-UHFFFAOYSA-N 0 0 181.235 1.442 10 0 ADAERN C[C@@]1(O)C(=O)[C@H]2CC[C@]1(C)C2 238499272 573755931 /nfs/dbraw/zinc/75/59/31/573755931.db2.gz AMKZMVUMLCIGCF-NBEYISGCSA-N 0 0 154.209 1.127 10 0 ADAERN CCc1ccnc(C(C)=O)n1 108331235 573755942 /nfs/dbraw/zinc/75/59/42/573755942.db2.gz FIMNBXIWUFFPTL-UHFFFAOYSA-N 0 0 150.181 1.242 10 0 ADAERN Nc1cccc([C@@H]2CCNC(=O)N2)c1 257866451 573755132 /nfs/dbraw/zinc/75/51/32/573755132.db2.gz SAJPMQANZKIQCG-VIFPVBQESA-N 0 0 191.234 1.013 10 0 ADAERN CC(=O)[C@H]1C[C@@H](CNC#N)C1(C)C 238080541 573755135 /nfs/dbraw/zinc/75/51/35/573755135.db2.gz FKLCEWMAYJGWQJ-DTWKUNHWSA-N 0 0 180.251 1.308 10 0 ADAERN CCC[C@@H]1C[NH2+][C@](C)(C(=O)[O-])C1 258120994 573755138 /nfs/dbraw/zinc/75/51/38/573755138.db2.gz IKMFODIVQOKDAZ-CBAPKCEASA-N 0 0 171.240 1.239 10 0 ADAERN C[C@@](F)(CO)c1ccc2c(c1)OCO2 257868041 573755140 /nfs/dbraw/zinc/75/51/40/573755140.db2.gz XOMFLZGFZKPBPW-SNVBAGLBSA-N 0 0 198.193 1.592 10 0 ADAERN Cc1ccc2c(c1)CC(=O)C(=O)O2 238499287 573755148 /nfs/dbraw/zinc/75/51/48/573755148.db2.gz ANKVQTBLNKHMCG-UHFFFAOYSA-N 0 0 176.171 1.026 10 0 ADAERN CC1=C[C@@H]2N[C@H](C)C=NN2C=C1 238498804 573755154 /nfs/dbraw/zinc/75/51/54/573755154.db2.gz VLQWNCNQLHVSJE-RKDXNWHRSA-N 0 0 163.224 1.066 10 0 ADAERN CC(C)(O)c1nc(-c2cc[nH]c2)c[nH]1 259184379 573755173 /nfs/dbraw/zinc/75/51/73/573755173.db2.gz WHXIBBRUOSFXDW-UHFFFAOYSA-N 0 0 191.234 1.632 10 0 ADAERN C[NH2+]CN(C)Cc1ccc(F)cc1 258913708 573755197 /nfs/dbraw/zinc/75/51/97/573755197.db2.gz PRIDKVLJGPRICP-UHFFFAOYSA-N 0 0 182.242 1.434 10 0 ADAERN COC(=O)[C@H]1CCc2cccc(N)c21 257867477 573755198 /nfs/dbraw/zinc/75/51/98/573755198.db2.gz SJGUPJRSHQIRHL-QMMMGPOBSA-N 0 0 191.230 1.472 10 0 ADAERN CC(C)n1oc(=O)c2ccc(O)cc21 257867247 573755203 /nfs/dbraw/zinc/75/52/03/573755203.db2.gz SHMRICJSWPOWKM-UHFFFAOYSA-N 0 0 193.202 1.881 10 0 ADAERN Cc1nccn1C[C@H]1CCCC1=O 238498852 573755212 /nfs/dbraw/zinc/75/52/12/573755212.db2.gz RGWUBNSMWLPENC-SECBINFHSA-N 0 0 178.235 1.561 10 0 ADAERN Cc1c(F)ncc(CO)c1C(F)F 238498704 573755215 /nfs/dbraw/zinc/75/52/15/573755215.db2.gz POLPYMFPFNREPH-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CCNc1nc(COCC)no1 84065149 573755229 /nfs/dbraw/zinc/75/52/29/573755229.db2.gz IQPBLANUSCDHJP-UHFFFAOYSA-N 0 0 171.200 1.038 10 0 ADAERN Cc1cc([C@@H](C)N[C@H]2C[C@@H]2CO)no1 308696734 573755232 /nfs/dbraw/zinc/75/52/32/573755232.db2.gz RTRKVPZDPQERNI-MRTMQBJTSA-N 0 0 196.250 1.014 10 0 ADAERN CCc1nn(C)c2ccc(C=O)cc12 257868238 573755243 /nfs/dbraw/zinc/75/52/43/573755243.db2.gz SOMVJIGERCSRJJ-UHFFFAOYSA-N 0 0 188.230 1.948 10 0 ADAERN Cc1ccsc1CCN(C)C[NH3+] 258915143 573755269 /nfs/dbraw/zinc/75/52/69/573755269.db2.gz PUEVSWCIOMOZBI-UHFFFAOYSA-N 0 0 184.308 1.447 10 0 ADAERN CC(=O)Nc1ccoc1C(C)=O 238098083 573755282 /nfs/dbraw/zinc/75/52/82/573755282.db2.gz KZBUESMWAOHBHS-UHFFFAOYSA-N 0 0 167.164 1.441 10 0 ADAERN C[C@]1([C@@H]2CCC[NH2+]C2)C[C@H]1C(=O)[O-] 257866860 573755306 /nfs/dbraw/zinc/75/53/06/573755306.db2.gz AAICWPCGVSTCPH-KHQFGBGNSA-N 0 0 183.251 1.097 10 0 ADAERN C[C@@H](N)S(=O)(=O)C1CCCCC1 259184313 573755307 /nfs/dbraw/zinc/75/53/07/573755307.db2.gz IQUHZTGWZLFQLC-ZETCQYMHSA-N 0 0 191.296 1.039 10 0 ADAERN CCc1ccc(C[NH2+]CO)cc1 258910411 573755331 /nfs/dbraw/zinc/75/53/31/573755331.db2.gz MDELKSBXSRZPRZ-UHFFFAOYSA-N 0 0 165.236 1.288 10 0 ADAERN C[C@]12C=CC[C@H]1CCC2=O 238498549 573755335 /nfs/dbraw/zinc/75/53/35/573755335.db2.gz NLFZILBYJKTAAO-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@H]2C[C@H]2C(=O)[O-])C1 259183980 573755355 /nfs/dbraw/zinc/75/53/55/573755355.db2.gz QOLXDHOGLUMBMT-HRDYMLBCSA-N 0 0 183.251 1.049 10 0 ADAERN COC(=O)CNc1sccc1C 258915901 573755357 /nfs/dbraw/zinc/75/53/57/573755357.db2.gz MYVCOOCCDJJFIL-UHFFFAOYSA-N 0 0 185.248 1.641 10 0 ADAERN C[C@H](CC(=O)[O-])C[N@H+](C)C1CCC1 258911944 573755377 /nfs/dbraw/zinc/75/53/77/573755377.db2.gz PKLWWPWTFIJCDX-MRVPVSSYSA-N 0 0 185.267 1.582 10 0 ADAERN COC(=O)[C@H](C)[C@@H](C)c1ocnc1C 259564961 573755391 /nfs/dbraw/zinc/75/53/91/573755391.db2.gz CRRZAWOTWYQIJC-RNFRBKRXSA-N 0 0 197.234 1.896 10 0 ADAERN Cn1c(C(=O)[O-])c[nH+]c1NC1CCC1 257867246 573755425 /nfs/dbraw/zinc/75/54/25/573755425.db2.gz HGECNMNEWIKWFL-UHFFFAOYSA-N 0 0 195.222 1.083 10 0 ADAERN COc1ccc2c(c1)NC[C@@](C)(O)C2 257866540 573755458 /nfs/dbraw/zinc/75/54/58/573755458.db2.gz SFJUMRGJRHCJCY-NSHDSACASA-N 0 0 193.246 1.414 10 0 ADAERN CCCCc1nc(N)nc(SC)n1 126963528 573755467 /nfs/dbraw/zinc/75/54/67/573755467.db2.gz NARKAEPZUQGVBG-UHFFFAOYSA-N 0 0 198.295 1.518 10 0 ADAERN C[C@H]1C[C@@H](CCCO)CCC1=O 238499263 573755478 /nfs/dbraw/zinc/75/54/78/573755478.db2.gz VQHWIJOUZHAWGS-IUCAKERBSA-N 0 0 170.252 1.764 10 0 ADAERN Cc1cccc(C(=O)CCCO)c1N 257867210 573755490 /nfs/dbraw/zinc/75/54/90/573755490.db2.gz SGUPKSSDBWAVSL-UHFFFAOYSA-N 0 0 193.246 1.532 10 0 ADAERN C[C@]12C=CC[C@@H](O)[C@@H]1CCC2=O 238498361 573755529 /nfs/dbraw/zinc/75/55/29/573755529.db2.gz KOTZVFYSTSLSAZ-XKSSXDPKSA-N 0 0 166.220 1.293 10 0 ADAERN CCCCCC[S@@](=O)CCCO 196571072 573755532 /nfs/dbraw/zinc/75/55/32/573755532.db2.gz FASABMFDYAQFKN-GFCCVEGCSA-N 0 0 192.324 1.698 10 0 ADAERN CC1(C)CC[C@@H](C(=O)[O-])C[N@@H+]1C1CC1 259182018 573755534 /nfs/dbraw/zinc/75/55/34/573755534.db2.gz BCFWQXUZXYPUJH-MRVPVSSYSA-N 0 0 197.278 1.724 10 0 ADAERN CC(C)[C@H](CC1CC[NH2+]CC1)C(=O)[O-] 258119829 573755539 /nfs/dbraw/zinc/75/55/39/573755539.db2.gz PIEBXYLERZVJLO-JTQLQIEISA-N 0 0 199.294 1.733 10 0 ADAERN C/C=C1/CO[C@@H]2CC(=O)C[C@H]12 238077685 573755541 /nfs/dbraw/zinc/75/55/41/573755541.db2.gz BKAXMSLDAPPEMI-ONVPRVARSA-N 0 0 152.193 1.311 10 0 ADAERN CCc1nc(Cl)n(C)n1 108331230 573755554 /nfs/dbraw/zinc/75/55/54/573755554.db2.gz SDJICAKJHKKLBZ-UHFFFAOYSA-N 0 0 145.593 1.031 10 0 ADAERN Cc1nc(C(F)F)cc(CO)c1O 238499628 573755558 /nfs/dbraw/zinc/75/55/58/573755558.db2.gz LIODQVIFCDHZCL-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(=O)CCC[C@@H]1CCOC1 238097685 573755566 /nfs/dbraw/zinc/75/55/66/573755566.db2.gz BRFLHVNFHJTFRQ-SECBINFHSA-N 0 0 156.225 1.782 10 0 ADAERN COCCCc1nc(CC(C)=O)co1 258120342 573755569 /nfs/dbraw/zinc/75/55/69/573755569.db2.gz TZZPREHZFGRHCL-UHFFFAOYSA-N 0 0 197.234 1.385 10 0 ADAERN CN[C@@H](NN)c1ccc(SC)cc1 259181886 573755589 /nfs/dbraw/zinc/75/55/89/573755589.db2.gz JVYYZQVVTIRQLN-VIFPVBQESA-N 0 0 197.307 1.090 10 0 ADAERN CC(C)(C)[C@H]1C[C@](C)(O)C(=S)N1 238097756 573755597 /nfs/dbraw/zinc/75/55/97/573755597.db2.gz QPLJBRYOXSXDMN-MUWHJKNJSA-N 0 0 187.308 1.473 10 0 ADAERN O[C@@H](COc1cccnc1)C1CCC1 258119103 573755611 /nfs/dbraw/zinc/75/56/11/573755611.db2.gz FVGUAUBJECWMHN-NSHDSACASA-N 0 0 193.246 1.621 10 0 ADAERN Cc1ccccc1-c1c(N)n[nH]c1N 238498715 573755624 /nfs/dbraw/zinc/75/56/24/573755624.db2.gz UTQKHLUDNGQPII-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN Cc1ccc2c(c1)N[C@H](CO)CN2 238498733 573755633 /nfs/dbraw/zinc/75/56/33/573755633.db2.gz GBSJNBWKKMVMAE-QMMMGPOBSA-N 0 0 178.235 1.193 10 0 ADAERN Cc1nn(C)cc1/C=C(/CO)C(C)C 215867272 573755638 /nfs/dbraw/zinc/75/56/38/573755638.db2.gz AKVYWYPVCLWATL-WZUFQYTHSA-N 0 0 194.278 1.760 10 0 ADAERN C[C@@]1([C@H](O)c2ccccc2)CO1 238499038 573755661 /nfs/dbraw/zinc/75/56/61/573755661.db2.gz CIEZIFLIZZUOTH-ZJUUUORDSA-N 0 0 164.204 1.509 10 0 ADAERN CC(=O)[C@](C)(O)Nc1ccccc1 238098091 573755663 /nfs/dbraw/zinc/75/56/63/573755663.db2.gz XNHGCPLSDRPIJZ-JTQLQIEISA-N 0 0 179.219 1.396 10 0 ADAERN CC1=NNC(=O)[C@@H]1c1ccc(F)cc1 257866470 573755678 /nfs/dbraw/zinc/75/56/78/573755678.db2.gz SBAQGNGXGBBYJO-VIFPVBQESA-N 0 0 192.193 1.415 10 0 ADAERN CC(=O)NC[C@@H]1C=CCCC1 238098134 573755707 /nfs/dbraw/zinc/75/57/07/573755707.db2.gz ZYOZLKKRPYXBKY-SECBINFHSA-N 0 0 153.225 1.479 10 0 ADAERN C[C@]12CC(=O)CC[C@H]1CCC2=O 238499472 573755711 /nfs/dbraw/zinc/75/57/11/573755711.db2.gz NWIMLQRJNGCZNI-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@H]1C[C@@H](CCO)C(C)(C)C1=O 238499315 573755725 /nfs/dbraw/zinc/75/57/25/573755725.db2.gz CAFOGXXSCTYYPT-JGVFFNPUSA-N 0 0 170.252 1.620 10 0 ADAERN C[C@@]1(Oc2ccc(C=O)cc2)CC[NH2+]1 238498494 573755947 /nfs/dbraw/zinc/75/59/47/573755947.db2.gz KXKSMHPSWXLVOO-LLVKDONJSA-N 0 0 191.230 1.587 10 0 ADAERN CC[C@@H](CO)Cc1ccncc1 259182761 573755732 /nfs/dbraw/zinc/75/57/32/573755732.db2.gz FJCIVNLYMYCTKQ-SECBINFHSA-N 0 0 165.236 1.643 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@H]2C[C@@H]2C(=O)[O-])C1 259183983 573755769 /nfs/dbraw/zinc/75/57/69/573755769.db2.gz QOLXDHOGLUMBMT-VGMNWLOBSA-N 0 0 183.251 1.049 10 0 ADAERN CC(=O)c1nc2c[nH]cc(C)c-2n1 238077412 573755809 /nfs/dbraw/zinc/75/58/09/573755809.db2.gz YYMWQZZKSCSCBR-UHFFFAOYSA-N 0 0 175.191 1.469 10 0 ADAERN CCOCc1nc(C(C)C)cc(=O)[nH]1 84062595 573755816 /nfs/dbraw/zinc/75/58/16/573755816.db2.gz DUJBZJIAMHSTFJ-UHFFFAOYSA-N 0 0 196.250 1.430 10 0 ADAERN COC[C@H]1COc2cccc(N)c2C1 257867152 573755819 /nfs/dbraw/zinc/75/58/19/573755819.db2.gz SFULNLQYUOTVGQ-QMMMGPOBSA-N 0 0 193.246 1.466 10 0 ADAERN Cn1c(CON)cc2c(O)cccc21 258120219 573755822 /nfs/dbraw/zinc/75/58/22/573755822.db2.gz JNGYZYUWLVZJNA-UHFFFAOYSA-N 0 0 192.218 1.274 10 0 ADAERN CC(=O)O[C@H]1CCC(=O)[C@@H](C)C1 238504960 573755832 /nfs/dbraw/zinc/75/58/32/573755832.db2.gz ZQOCZAZUZJQPOD-XPUUQOCRSA-N 0 0 170.208 1.307 10 0 ADAERN O=C1CCCNN1c1cccc(O)c1 257866480 573755834 /nfs/dbraw/zinc/75/58/34/573755834.db2.gz SBJPFSUAVNLTPH-UHFFFAOYSA-N 0 0 192.218 1.024 10 0 ADAERN CCOCc1nccc(NC)n1 84065098 573755972 /nfs/dbraw/zinc/75/59/72/573755972.db2.gz ZCWVYAOJCBFONH-UHFFFAOYSA-N 0 0 167.212 1.055 10 0 ADAERN CC(=O)c1cc([C@H]2CCCCO2)[nH]n1 257866528 573756009 /nfs/dbraw/zinc/75/60/09/573756009.db2.gz SEQGJPLSQCVJLF-SNVBAGLBSA-N 0 0 194.234 1.854 10 0 ADAERN CN(C[NH3+])CCC1CCCCC1 258915214 573756036 /nfs/dbraw/zinc/75/60/36/573756036.db2.gz PUYUIONVLYBSAR-UHFFFAOYSA-N 0 0 170.300 1.805 10 0 ADAERN C/C=C1/CO[C@H]2CC(=O)C[C@@H]12 238077773 573756044 /nfs/dbraw/zinc/75/60/44/573756044.db2.gz BKAXMSLDAPPEMI-QBAXVXCPSA-N 0 0 152.193 1.311 10 0 ADAERN CN[C@@H](C)c1nncc(C2CCC2)n1 257868140 573756052 /nfs/dbraw/zinc/75/60/52/573756052.db2.gz SMAZTJBUUFINBW-ZETCQYMHSA-N 0 0 192.266 1.420 10 0 ADAERN CC(=O)Nc1ccnc2cccnc12 238097796 573756057 /nfs/dbraw/zinc/75/60/57/573756057.db2.gz WCUBDBGXRDVQIV-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN C/C(=C\[C@@H]1CCSC1)[N+](=O)[O-] 224654345 573756066 /nfs/dbraw/zinc/75/60/66/573756066.db2.gz IOUILMWDFQJQDE-KNIZRNDPSA-N 0 0 173.237 1.920 10 0 ADAERN COC(=O)[C@@H]1CCc2cccc(N)c21 257867475 573756071 /nfs/dbraw/zinc/75/60/71/573756071.db2.gz SJGUPJRSHQIRHL-MRVPVSSYSA-N 0 0 191.230 1.472 10 0 ADAERN CC=C[C@H](O)c1cnn(CC)c1C 642835062 573756072 /nfs/dbraw/zinc/75/60/72/573756072.db2.gz RFLSLCZGOJCASN-RWCYGVJQSA-N 0 0 179.243 1.322 10 0 ADAERN OCC[C@H]1CNc2c(O)cccc2C1 257867222 573756077 /nfs/dbraw/zinc/75/60/77/573756077.db2.gz SGZDBVVFIFOLOM-MRVPVSSYSA-N 0 0 193.246 1.359 10 0 ADAERN CCOCC(=O)c1ccsc1 84062785 573756086 /nfs/dbraw/zinc/75/60/86/573756086.db2.gz SFYUQWTZBCHMRA-UHFFFAOYSA-N 0 0 170.233 1.967 10 0 ADAERN C[C@H]1O[C@@H]1/C=C/Br 238505069 573756098 /nfs/dbraw/zinc/75/60/98/573756098.db2.gz ONEFUUSVGLGVDR-BKDNXVRYSA-N 0 0 163.014 1.682 10 0 ADAERN Cc1c(F)ncc(C(F)F)c1C[NH3+] 238498483 573756101 /nfs/dbraw/zinc/75/61/01/573756101.db2.gz YUDSKDPKRYLONE-UHFFFAOYSA-N 0 0 190.168 1.925 10 0 ADAERN C[C@]12C=CC[C@H]1C[C@@]2(C[NH3+])CC(=O)[O-] 238498586 573756113 /nfs/dbraw/zinc/75/61/13/573756113.db2.gz JTHRYXUDOAOOGN-LSJOCFKGSA-N 0 0 195.262 1.392 10 0 ADAERN CC1=NC(=O)NC1c1cccc(O)c1 257866495 573756115 /nfs/dbraw/zinc/75/61/15/573756115.db2.gz SCMRSNUTLIPRIU-UHFFFAOYSA-N 0 0 190.202 1.796 10 0 ADAERN COCc1cc(OC)ccc1[C@H](C)O 258121203 573756123 /nfs/dbraw/zinc/75/61/23/573756123.db2.gz QQLRITOMSISQIX-QMMMGPOBSA-N 0 0 196.246 1.895 10 0 ADAERN OCCc1ncc2cccc(F)c2n1 257867240 573756129 /nfs/dbraw/zinc/75/61/29/573756129.db2.gz SHDWZQRTOVLBFT-UHFFFAOYSA-N 0 0 192.193 1.304 10 0 ADAERN C=C=C(CNC(C)=O)c1ccccc1 238081557 573756148 /nfs/dbraw/zinc/75/61/48/573756148.db2.gz WCYAGNKJPDQNRT-UHFFFAOYSA-N 0 0 187.242 1.991 10 0 ADAERN OC1(c2ccc3c(c2)OCC3)CC1 258120059 573756150 /nfs/dbraw/zinc/75/61/50/573756150.db2.gz ZUWULILAPHEBBF-UHFFFAOYSA-N 0 0 176.215 1.603 10 0 ADAERN Cc1cnc(C(F)(F)F)c(CO)c1 238498747 573756154 /nfs/dbraw/zinc/75/61/54/573756154.db2.gz MIIOPRGWXARKOH-UHFFFAOYSA-N 0 0 191.152 1.901 10 0 ADAERN C[C@H]1OC[C@@]2(C)CCCC(=O)[C@@H]12 238499573 573756181 /nfs/dbraw/zinc/75/61/81/573756181.db2.gz ZEIDDZUZGBOOLO-SZEHBUNVSA-N 0 0 168.236 1.781 10 0 ADAERN CC(=O)c1cc(C)n(C(C)C)n1 258422047 573756200 /nfs/dbraw/zinc/75/62/00/573756200.db2.gz CAYHWGKPKKQLQY-UHFFFAOYSA-N 0 0 166.224 1.975 10 0 ADAERN CC(=O)[C@H]1CC[C@@]1(C)C(C)=O 238077793 573756229 /nfs/dbraw/zinc/75/62/29/573756229.db2.gz HTYSPNQBXXSLHM-BDAKNGLRSA-N 0 0 154.209 1.581 10 0 ADAERN C[C@H](CO)CN(C)C(=O)[C@H]1CC1(C)C 688720877 573756258 /nfs/dbraw/zinc/75/62/58/573756258.db2.gz OATCKSHUIRUMOJ-DTWKUNHWSA-N 0 0 199.294 1.119 10 0 ADAERN O[C@H](c1ccccc1)C1OCCCO1 143432209 573756269 /nfs/dbraw/zinc/75/62/69/573756269.db2.gz WOERVSDLEZSVBH-SNVBAGLBSA-N 0 0 194.230 1.483 10 0 ADAERN CN(CC(F)F)C(=O)N1CCCC1 122527627 573756278 /nfs/dbraw/zinc/75/62/78/573756278.db2.gz JXNCBZDDCDNJKT-UHFFFAOYSA-N 0 0 192.209 1.399 10 0 ADAERN C[C@H](O)Cc1cc(CF)ccc1O 258121163 573756279 /nfs/dbraw/zinc/75/62/79/573756279.db2.gz QOFGUCZXCIYMMK-ZETCQYMHSA-N 0 0 184.210 1.785 10 0 ADAERN Cc1c(C2C[NH2+]C2)csc1C(=O)[O-] 238499854 573756284 /nfs/dbraw/zinc/75/62/84/573756284.db2.gz SEOBHOVRUUAARC-UHFFFAOYSA-N 0 0 197.259 1.442 10 0 ADAERN NC(=O)[C@@H]1CCc2cccc(F)c2N1 257868224 573756289 /nfs/dbraw/zinc/75/62/89/573756289.db2.gz SNUZZTQIVKSTJA-QMMMGPOBSA-N 0 0 194.209 1.038 10 0 ADAERN Cn1nc([C@]2(C)CCCOC2)cc1N 258119926 573756308 /nfs/dbraw/zinc/75/63/08/573756308.db2.gz PJBAAULIPCWNOW-SNVBAGLBSA-N 0 0 195.266 1.070 10 0 ADAERN CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C(=O)[O-])C1 257866216 573756324 /nfs/dbraw/zinc/75/63/24/573756324.db2.gz PPARRWJVNSXISI-BDAKNGLRSA-N 0 0 199.294 1.875 10 0 ADAERN C[C@H](C[NH2+]C/C=C\C1CC1)C(=O)[O-] 393649912 573756327 /nfs/dbraw/zinc/75/63/27/573756327.db2.gz AQTXPXZKSAAMJA-YAJNLLPGSA-N 0 0 183.251 1.263 10 0 ADAERN C[NH2+]CN(C)c1ccccc1C 258911814 573756344 /nfs/dbraw/zinc/75/63/44/573756344.db2.gz PHTBPGJUCKILEK-UHFFFAOYSA-N 0 0 164.252 1.608 10 0 ADAERN Nc1cc(Cc2ccccc2F)on1 259184201 573756355 /nfs/dbraw/zinc/75/63/55/573756355.db2.gz JTWXSQRNXQLMRQ-UHFFFAOYSA-N 0 0 192.193 1.987 10 0 ADAERN CCOC[C@H](O)c1ccoc1 84063535 573756419 /nfs/dbraw/zinc/75/64/19/573756419.db2.gz PYFYGMIIZRYKMC-QMMMGPOBSA-N 0 0 156.181 1.350 10 0 ADAERN COC(=O)C1(SC(C)C)CC1 259184372 573756425 /nfs/dbraw/zinc/75/64/25/573756425.db2.gz ISIHKYAKGOVGQI-UHFFFAOYSA-N 0 0 174.265 1.834 10 0 ADAERN OCc1nc(-c2cccc(O)c2)c[nH]1 257868113 573756433 /nfs/dbraw/zinc/75/64/33/573756433.db2.gz SLRQKERLANCEMY-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN OCC[C@@H]1CNc2c(O)cccc2C1 257867228 573756473 /nfs/dbraw/zinc/75/64/73/573756473.db2.gz SGZDBVVFIFOLOM-QMMMGPOBSA-N 0 0 193.246 1.359 10 0 ADAERN CC[C@@H](CC(=O)[O-])Nc1cc[nH+]cc1 127056920 573756480 /nfs/dbraw/zinc/75/64/80/573756480.db2.gz SCVZEHZVMVEPPP-QMMMGPOBSA-N 0 0 194.234 1.747 10 0 ADAERN Cn1nc(C2CC2)nc1Cl 108331915 573756497 /nfs/dbraw/zinc/75/64/97/573756497.db2.gz LNXYPDZADLXJEZ-UHFFFAOYSA-N 0 0 157.604 1.346 10 0 ADAERN OCCCc1ncc(C(F)(F)F)o1 258119946 573756505 /nfs/dbraw/zinc/75/65/05/573756505.db2.gz PJGVZQMKCJHBMU-UHFFFAOYSA-N 0 0 195.140 1.618 10 0 ADAERN COc1c(C)ccc(CCCO)c1O 258121215 573756519 /nfs/dbraw/zinc/75/65/19/573756519.db2.gz QQWYHOUMUZOOQT-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN CC(C)Cn1nc(N)c2c1CSC2 257867253 573756523 /nfs/dbraw/zinc/75/65/23/573756523.db2.gz SHMYRXYYMLHKFJ-UHFFFAOYSA-N 0 0 197.307 1.868 10 0 ADAERN [NH3+]Cc1c[n-]n(C2CCCCC2)c1=O 258119297 573756527 /nfs/dbraw/zinc/75/65/27/573756527.db2.gz WCJSGOVGFLJOOK-UHFFFAOYSA-N 0 0 195.266 1.553 10 0 ADAERN Nc1ccc(=O)n2cc(Cl)ccc12 258119929 573756542 /nfs/dbraw/zinc/75/65/42/573756542.db2.gz PJDMHUDOLFLZPL-UHFFFAOYSA-N 0 0 194.621 1.535 10 0 ADAERN CC(=O)[C@@H]1C=C[C@](C)(O)CC1 238077705 573756545 /nfs/dbraw/zinc/75/65/45/573756545.db2.gz PLMRVYZOTDNMRT-BDAKNGLRSA-N 0 0 154.209 1.293 10 0 ADAERN C[C@]1(c2cccc(O)c2)COC(=O)C1 257866481 573756547 /nfs/dbraw/zinc/75/65/47/573756547.db2.gz SBKAYZSCCLTFPE-LLVKDONJSA-N 0 0 192.214 1.597 10 0 ADAERN Cc1cc(C2CCOCC2)nc(C)n1 259183928 573756586 /nfs/dbraw/zinc/75/65/86/573756586.db2.gz VFOSQOJHBCXLAG-UHFFFAOYSA-N 0 0 192.262 1.987 10 0 ADAERN C[C@@](O)(C1CCCC1)C(F)(F)CN 257866466 573756590 /nfs/dbraw/zinc/75/65/90/573756590.db2.gz SAWANHLUPCOAOE-MRVPVSSYSA-N 0 0 193.237 1.522 10 0 ADAERN CN[C@@H](C(C)=O)c1ccc(F)cc1F 259564749 573756598 /nfs/dbraw/zinc/75/65/98/573756598.db2.gz WJOOTZAEOPOREV-JTQLQIEISA-N 0 0 199.200 1.814 10 0 ADAERN [NH3+]CNc1ccc2c(c1)CCCC2 258915267 573756604 /nfs/dbraw/zinc/75/66/04/573756604.db2.gz PVMHRNABUGGRJN-UHFFFAOYSA-N 0 0 176.263 1.894 10 0 ADAERN C/C=C1/CO[C@@H]2CC(=O)C[C@@H]12 238077718 573756637 /nfs/dbraw/zinc/75/66/37/573756637.db2.gz BKAXMSLDAPPEMI-JXMHVNGISA-N 0 0 152.193 1.311 10 0 ADAERN COCc1cc(OC)ccc1[C@@H](C)O 258121202 573756641 /nfs/dbraw/zinc/75/66/41/573756641.db2.gz QQLRITOMSISQIX-MRVPVSSYSA-N 0 0 196.246 1.895 10 0 ADAERN C[C@](O)(C1CCCC1)C(F)(F)CN 257866467 573756647 /nfs/dbraw/zinc/75/66/47/573756647.db2.gz SAWANHLUPCOAOE-QMMMGPOBSA-N 0 0 193.237 1.522 10 0 ADAERN Cc1ccc2c(c1)C[NH2+][C@H]2C(=O)[O-] 238505605 573756648 /nfs/dbraw/zinc/75/66/48/573756648.db2.gz MYAUVUNOBDXQLI-SECBINFHSA-N 0 0 177.203 1.224 10 0 ADAERN Cc1ccoc1[C@H](C)NN 122511872 573756656 /nfs/dbraw/zinc/75/66/56/573756656.db2.gz OQFPCEQUTIWNLL-LURJTMIESA-N 0 0 140.186 1.112 10 0 ADAERN CCOC[C@@H](O)C1CCCC1 84063025 573756662 /nfs/dbraw/zinc/75/66/62/573756662.db2.gz VCKQSHDJBLMAJB-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CC(=O)Cn1ccc2ncccc21 258117014 573756669 /nfs/dbraw/zinc/75/66/69/573756669.db2.gz LZAAENWIRBYQCG-UHFFFAOYSA-N 0 0 174.203 1.625 10 0 ADAERN COc1cc(C)cc(C)c1N(C)C[NH3+] 258911904 573756671 /nfs/dbraw/zinc/75/66/71/573756671.db2.gz PJJRTIHIEWGPMJ-UHFFFAOYSA-N 0 0 194.278 1.664 10 0 ADAERN Cc1cc(Cl)cc2c1[C@@H](O)C(=O)N2 238506363 573756704 /nfs/dbraw/zinc/75/67/04/573756704.db2.gz SSFRQSCNQVBZLE-MRVPVSSYSA-N 0 0 197.621 1.634 10 0 ADAERN Cc1cc(C)c(NC[NH3+])cc1C 258916764 573756706 /nfs/dbraw/zinc/75/67/06/573756706.db2.gz PYBGEOMRLUQJSI-UHFFFAOYSA-N 0 0 164.252 1.940 10 0 ADAERN CCOCc1nc(C=O)cs1 84062578 573756712 /nfs/dbraw/zinc/75/67/12/573756712.db2.gz BFKRFZSLEWVMBR-UHFFFAOYSA-N 0 0 171.221 1.492 10 0 ADAERN COC(=N)[C@@H](O)c1cccc(OC)c1 238342970 573756721 /nfs/dbraw/zinc/75/67/21/573756721.db2.gz IBCXRKHTQWJUDK-VIFPVBQESA-N 0 0 195.218 1.352 10 0 ADAERN OC[NH2+]Cc1csc2ccccc12 258915926 573756730 /nfs/dbraw/zinc/75/67/30/573756730.db2.gz MZJFGNUWZZQCHL-UHFFFAOYSA-N 0 0 193.271 1.941 10 0 ADAERN COC[C@@H]1CCOc2cc(O)ccc21 257867195 573756733 /nfs/dbraw/zinc/75/67/33/573756733.db2.gz SGNWXHYYXONYRH-QMMMGPOBSA-N 0 0 194.230 1.905 10 0 ADAERN CC(=O)c1ccn(CC(C)C)c(=O)c1 257866532 573757535 /nfs/dbraw/zinc/75/75/35/573757535.db2.gz SEWFKRNXZQOAAQ-UHFFFAOYSA-N 0 0 193.246 1.707 10 0 ADAERN O=C1NC[C@@]1(Cl)c1ccccc1 238506564 573757538 /nfs/dbraw/zinc/75/75/38/573757538.db2.gz DGPDIHXFRMLAAY-SECBINFHSA-N 0 0 181.622 1.251 10 0 ADAERN CC(=O)Nc1cc(O)c(C)c(O)c1 238077238 573756765 /nfs/dbraw/zinc/75/67/65/573756765.db2.gz JYNPCXNHPNLBSA-UHFFFAOYSA-N 0 0 181.191 1.365 10 0 ADAERN OCc1ncc(C2CC2)o1 257866850 573756773 /nfs/dbraw/zinc/75/67/73/573756773.db2.gz AADZAEMPXNITJL-UHFFFAOYSA-N 0 0 139.154 1.044 10 0 ADAERN Cc1ccc2c(c1Cl)C(=O)O[C@@H]2O 238505132 573756780 /nfs/dbraw/zinc/75/67/80/573756780.db2.gz FPFVISMNGYJPQO-QMMMGPOBSA-N 0 0 198.605 1.810 10 0 ADAERN C[S@](=O)c1c(F)cnc2[nH]ccc12 238506327 573756797 /nfs/dbraw/zinc/75/67/97/573756797.db2.gz BPMVAWKONIDLAH-ZDUSSCGKSA-N 0 0 198.222 1.439 10 0 ADAERN N#CNc1c(F)cc(F)cc1F 84057102 573756808 /nfs/dbraw/zinc/75/68/08/573756808.db2.gz BOLIZNULNHTSSF-UHFFFAOYSA-N 0 0 172.109 1.997 10 0 ADAERN CCc1ccc(CNC[NH2+]C)cc1 258911834 573756829 /nfs/dbraw/zinc/75/68/29/573756829.db2.gz PICJMGBUFQOZLK-UHFFFAOYSA-N 0 0 178.279 1.516 10 0 ADAERN CCN(CC)C(=O)N/C=C/Cl 224655417 573756836 /nfs/dbraw/zinc/75/68/36/573756836.db2.gz FKOYOPOYAMHZQR-AATRIKPKSA-N 0 0 176.647 1.748 10 0 ADAERN CCOCc1nccc(Cl)n1 84062641 573756855 /nfs/dbraw/zinc/75/68/55/573756855.db2.gz HRQPFOUTOPXQDN-UHFFFAOYSA-N 0 0 172.615 1.667 10 0 ADAERN OCCCc1ccc2c(c1F)OCO2 258121248 573756859 /nfs/dbraw/zinc/75/68/59/573756859.db2.gz QRJOBIARJZWLIP-UHFFFAOYSA-N 0 0 198.193 1.479 10 0 ADAERN Cc1cc([C@@H]2CCC(=O)N2)[nH]c1C 238505851 573756878 /nfs/dbraw/zinc/75/68/78/573756878.db2.gz SEORZRLBAACXMI-QMMMGPOBSA-N 0 0 178.235 1.583 10 0 ADAERN Cc1cccc([C@@H](O)C2COC2)c1 238505278 573756887 /nfs/dbraw/zinc/75/68/87/573756887.db2.gz LEWOBBKDACBBQQ-LLVKDONJSA-N 0 0 178.231 1.675 10 0 ADAERN Nc1cc(C2CCOCC2)ccc1O 257866506 573756892 /nfs/dbraw/zinc/75/68/92/573756892.db2.gz SDNDPMYLWXDAPT-UHFFFAOYSA-N 0 0 193.246 1.868 10 0 ADAERN O[C@H]1OC[C@H]2[C@H]3C=C[C@H](CC3)[C@@H]12 143425321 573756899 /nfs/dbraw/zinc/75/68/99/573756899.db2.gz GVBBESMTEYTLPE-LRPJSKTQSA-N 0 0 166.220 1.163 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[N@@H+]1CC[C@@H]1C 108316660 573756905 /nfs/dbraw/zinc/75/69/05/573756905.db2.gz IEBZWGKYRIAKTN-JGVFFNPUSA-N 0 0 171.240 1.190 10 0 ADAERN COC(=O)C(C)(C)CNc1ccc[nH]1 258917678 573756977 /nfs/dbraw/zinc/75/69/77/573756977.db2.gz NEEMRUKYCCEPHH-UHFFFAOYSA-N 0 0 196.250 1.626 10 0 ADAERN Cc1cc([C@@H]2CCC(=O)C2)cnc1N 238505815 573757005 /nfs/dbraw/zinc/75/70/05/573757005.db2.gz SGBAWIWYTRUXNG-MRVPVSSYSA-N 0 0 190.246 1.809 10 0 ADAERN C[NH2+]CNc1ccc(F)c(F)c1 258911943 573757014 /nfs/dbraw/zinc/75/70/14/573757014.db2.gz PKLNVYVBNHUPNH-UHFFFAOYSA-N 0 0 172.178 1.554 10 0 ADAERN CO[C@H](c1ccc(F)cc1)[C@H](C)O 143449148 573757031 /nfs/dbraw/zinc/75/70/31/573757031.db2.gz WIYGKSCYHGDXLU-XVKPBYJWSA-N 0 0 184.210 1.894 10 0 ADAERN O=c1nc2ccccc(Cl)c-2[nH]1 238505762 573757065 /nfs/dbraw/zinc/75/70/65/573757065.db2.gz FEQZKOLHRARGCE-UHFFFAOYSA-N 0 0 180.594 1.528 10 0 ADAERN Cc1cc([C@@H](C)N[C@H]2C[C@H]2CO)no1 308696736 573757069 /nfs/dbraw/zinc/75/70/69/573757069.db2.gz RTRKVPZDPQERNI-WEDXCCLWSA-N 0 0 196.250 1.014 10 0 ADAERN C[C@]12CCC=C1NC(=O)CC2 238505169 573757097 /nfs/dbraw/zinc/75/70/97/573757097.db2.gz QOSZNEAGFAXEKS-SECBINFHSA-N 0 0 151.209 1.580 10 0 ADAERN CCCc1nc(N)cc2ncn(C)c12 257867332 573757119 /nfs/dbraw/zinc/75/71/19/573757119.db2.gz SHZROMICWYJEQJ-UHFFFAOYSA-N 0 0 190.250 1.503 10 0 ADAERN C[NH2+]CN(C)c1ccc(C)cc1C 258910095 573757124 /nfs/dbraw/zinc/75/71/24/573757124.db2.gz PCKIVFHHWSGINL-UHFFFAOYSA-N 0 0 178.279 1.917 10 0 ADAERN CC(=O)n1cc(C)[nH]c1=S 238080938 573757126 /nfs/dbraw/zinc/75/71/26/573757126.db2.gz PTYBUVZPLVUENX-UHFFFAOYSA-N 0 0 156.210 1.514 10 0 ADAERN CCOCc1noc(Cl)n1 84064968 573757144 /nfs/dbraw/zinc/75/71/44/573757144.db2.gz KYURKWGGYNFOJG-UHFFFAOYSA-N 0 0 162.576 1.260 10 0 ADAERN CCc1ccc(N(C)CO)cc1 258913923 573757146 /nfs/dbraw/zinc/75/71/46/573757146.db2.gz MNYJLGPTSZQWGF-UHFFFAOYSA-N 0 0 165.236 1.635 10 0 ADAERN C[C@@]1(c2cccc(O)c2)COC(=O)C1 257866482 573757157 /nfs/dbraw/zinc/75/71/57/573757157.db2.gz SBKAYZSCCLTFPE-NSHDSACASA-N 0 0 192.214 1.597 10 0 ADAERN CCOC[C@@H](O)CC1CC1 84063186 573757185 /nfs/dbraw/zinc/75/71/85/573757185.db2.gz WBMVQJZSLUPLSD-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN COc1ccc(OC)c(N(C)C[NH3+])c1 258916659 573757193 /nfs/dbraw/zinc/75/71/93/573757193.db2.gz PWZBQAJIZIXSLP-UHFFFAOYSA-N 0 0 196.250 1.056 10 0 ADAERN Cc1cccc([C@@H](O)[C@@H]2CO2)c1 238505400 573757211 /nfs/dbraw/zinc/75/72/11/573757211.db2.gz DLENEVRGPWYKBB-VHSXEESVSA-N 0 0 164.204 1.427 10 0 ADAERN Cc1cc(Cl)cc2c1[C@H](O)C(=O)N2 238506338 573757219 /nfs/dbraw/zinc/75/72/19/573757219.db2.gz SSFRQSCNQVBZLE-QMMMGPOBSA-N 0 0 197.621 1.634 10 0 ADAERN Cc1cc([C@@H]2CCCC2=O)cnc1N 238506657 573757236 /nfs/dbraw/zinc/75/72/36/573757236.db2.gz DOWAEBGZYUPAEM-VIFPVBQESA-N 0 0 190.246 1.809 10 0 ADAERN CC(=O)CC(=O)N(C)C(C)(C)C 258911335 573757279 /nfs/dbraw/zinc/75/72/79/573757279.db2.gz JLWXGCDVDKUOBU-UHFFFAOYSA-N 0 0 171.240 1.222 10 0 ADAERN OCC/C=C/C=C\Cl 214832721 573757300 /nfs/dbraw/zinc/75/73/00/573757300.db2.gz MGPKHWVBTUCRDS-WFTYEQLWSA-N 0 0 132.590 1.678 10 0 ADAERN CN[C@H](NN)c1ccc(SC)cc1 259181883 573757301 /nfs/dbraw/zinc/75/73/01/573757301.db2.gz JVYYZQVVTIRQLN-SECBINFHSA-N 0 0 197.307 1.090 10 0 ADAERN CC(C)Nc1cccc(C=O)n1 259620226 573757333 /nfs/dbraw/zinc/75/73/33/573757333.db2.gz FDNJCNJUBVILQA-UHFFFAOYSA-N 0 0 164.208 1.714 10 0 ADAERN CCCCCN(C)C(=O)NC1CC1 126970601 573757353 /nfs/dbraw/zinc/75/73/53/573757353.db2.gz AGGQVZIJXSWWIX-UHFFFAOYSA-N 0 0 184.283 1.980 10 0 ADAERN Cc1nccc(CC[C@H](C)O)n1 125047593 573757357 /nfs/dbraw/zinc/75/73/57/573757357.db2.gz FFANJPUPWUIFFX-ZETCQYMHSA-N 0 0 166.224 1.098 10 0 ADAERN O=C1C[C@H]2CCC[C@@]12Cl 238505787 573757376 /nfs/dbraw/zinc/75/73/76/573757376.db2.gz IFOLWCYKQHKLFU-VDTYLAMSSA-N 0 0 144.601 1.737 10 0 ADAERN CC[C@H](CO)Cc1ccncc1 259182762 573757377 /nfs/dbraw/zinc/75/73/77/573757377.db2.gz FJCIVNLYMYCTKQ-VIFPVBQESA-N 0 0 165.236 1.643 10 0 ADAERN CC(=O)NC1[C@@H]2CCCCC[C@@H]12 238077461 573757393 /nfs/dbraw/zinc/75/73/93/573757393.db2.gz XMGFZTKHELJCAD-RKDXNWHRSA-N 0 0 167.252 1.701 10 0 ADAERN CCSc1ccc(C[NH2+]CO)cc1 258910573 573757406 /nfs/dbraw/zinc/75/74/06/573757406.db2.gz MGCNGIZLZVSNCY-UHFFFAOYSA-N 0 0 197.303 1.838 10 0 ADAERN CC(=O)c1cnc([C@@H]2CCCO2)o1 258120418 573757412 /nfs/dbraw/zinc/75/74/12/573757412.db2.gz ONWBTVLFOWPAQQ-ZETCQYMHSA-N 0 0 181.191 1.729 10 0 ADAERN COC(=O)C(C)(C)CNc1cc[nH]c1 258910593 573757561 /nfs/dbraw/zinc/75/75/61/573757561.db2.gz MGIRBSWCVREQNP-UHFFFAOYSA-N 0 0 196.250 1.626 10 0 ADAERN C[N@@H+]1CCC[C@H](C[C@H]2C[C@@H]2C(=O)[O-])C1 259184130 573757565 /nfs/dbraw/zinc/75/75/65/573757565.db2.gz QQOPFTVGWSMMJG-UTLUCORTSA-N 0 0 197.278 1.439 10 0 ADAERN CCOCc1ncc(CO)s1 84065507 573757429 /nfs/dbraw/zinc/75/74/29/573757429.db2.gz WVLROQIYMNCMNT-UHFFFAOYSA-N 0 0 173.237 1.172 10 0 ADAERN C[S@](=O)c1c(F)cnc2cc[nH]c12 238506337 573757452 /nfs/dbraw/zinc/75/74/52/573757452.db2.gz PTWFHKNHROAZNP-ZDUSSCGKSA-N 0 0 198.222 1.439 10 0 ADAERN C[C@]12CCCC(=O)[C@H](C1)[C@@H](O)CC2 238506567 573757474 /nfs/dbraw/zinc/75/74/74/573757474.db2.gz FLPFKXODUJZEMG-INTQDDNPSA-N 0 0 182.263 1.907 10 0 ADAERN Cc1cccc([C@@](C)(CO)CON)c1 257866530 573757477 /nfs/dbraw/zinc/75/74/77/573757477.db2.gz SESIWNZGYLYEDI-NSHDSACASA-N 0 0 195.262 1.135 10 0 ADAERN Cc1cc(C)cc(O[C@H]2CC(=O)N2)c1 238505714 573757480 /nfs/dbraw/zinc/75/74/80/573757480.db2.gz DLTBMUFJASJGGL-NSHDSACASA-N 0 0 191.230 1.528 10 0 ADAERN COc1cccc2c1N[C@@H]1C[C@H]21 257867534 573757484 /nfs/dbraw/zinc/75/74/84/573757484.db2.gz DOCPPXMLSUTQKV-HTQZYQBOSA-N 0 0 161.204 1.977 10 0 ADAERN CCOC(=O)[C@H](CC)NCC(F)F 147661456 573757486 /nfs/dbraw/zinc/75/74/86/573757486.db2.gz VBAIKVAKTQYTQN-LURJTMIESA-N 0 0 195.209 1.183 10 0 ADAERN CCCCCN(C)C(=O)OC 126973316 573757487 /nfs/dbraw/zinc/75/74/87/573757487.db2.gz VIJKIFUMMUTZGO-UHFFFAOYSA-N 0 0 159.229 1.875 10 0 ADAERN Cc1cc([C@@H](O)c2ccccc2)n[nH]1 238505323 573757499 /nfs/dbraw/zinc/75/74/99/573757499.db2.gz BTVPMTVWUSRSPL-NSHDSACASA-N 0 0 188.230 1.800 10 0 ADAERN C[C@H](O)[C@@H]1Cc2c(F)cccc2N1C 258120515 573757512 /nfs/dbraw/zinc/75/75/12/573757512.db2.gz JPDYGXKBNJRSBZ-CPCISQLKSA-N 0 0 195.237 1.567 10 0 ADAERN CONCc1ccncc1Cl 84085128 573767968 /nfs/dbraw/zinc/76/79/68/573767968.db2.gz LMCAOLMHBGZVPL-UHFFFAOYSA-N 0 0 172.615 1.386 10 0 ADAERN Cc1nc2c[nH]c(=S)nc2nc1C 238508745 573768009 /nfs/dbraw/zinc/76/80/09/573768009.db2.gz YNPFOLOTICPAMG-UHFFFAOYSA-N 0 0 192.247 1.699 10 0 ADAERN CCOC[C@@H](C)C(=O)C(C)C 146416597 573768020 /nfs/dbraw/zinc/76/80/20/573768020.db2.gz MCHHHYOQHOWALW-MRVPVSSYSA-N 0 0 158.241 1.884 10 0 ADAERN COc1cccc([C@@]2(CO)C[C@H]2C)c1 258926860 573768046 /nfs/dbraw/zinc/76/80/46/573768046.db2.gz AAYSRQBRNDUZOM-BXKDBHETSA-N 0 0 192.258 1.965 10 0 ADAERN C[C@H]1O[C@H]1C(=O)NCc1ccccc1 238509548 573768055 /nfs/dbraw/zinc/76/80/55/573768055.db2.gz PJRUXTVTDQGGPC-PSASIEDQSA-N 0 0 191.230 1.090 10 0 ADAERN Cc1ccc(N2CCCC2=O)cc1O 238508992 573768076 /nfs/dbraw/zinc/76/80/76/573768076.db2.gz UUBIZPAYROXIDH-UHFFFAOYSA-N 0 0 191.230 1.827 10 0 ADAERN C[C@H]1CCN(CC[C@@H](C)O)C(=O)C1 108338323 573768081 /nfs/dbraw/zinc/76/80/81/573768081.db2.gz GGEHICPQUCUHHE-DTWKUNHWSA-N 0 0 185.267 1.016 10 0 ADAERN COc1ccc(OC)c(N(C)CO)c1 258928549 573768095 /nfs/dbraw/zinc/76/80/95/573768095.db2.gz OMQJXDSWGDDVNZ-UHFFFAOYSA-N 0 0 197.234 1.090 10 0 ADAERN CCn1ccc(C(=O)NC(C)C)c1N 257872201 573768118 /nfs/dbraw/zinc/76/81/18/573768118.db2.gz FNFAGQNWETXYPU-UHFFFAOYSA-N 0 0 195.266 1.228 10 0 ADAERN CC[C@H](O)c1ccncc1C 122562552 573768123 /nfs/dbraw/zinc/76/81/23/573768123.db2.gz CBJKVMMMENSICK-VIFPVBQESA-N 0 0 151.209 1.833 10 0 ADAERN CC(C)[C@H](O)COc1cccnc1 258125164 573768145 /nfs/dbraw/zinc/76/81/45/573768145.db2.gz LORRGMFKNGCJKW-SNVBAGLBSA-N 0 0 181.235 1.477 10 0 ADAERN CC[C@H](O)c1ncc(C)cn1 122561923 573768172 /nfs/dbraw/zinc/76/81/72/573768172.db2.gz VZRAJFIBNHOXQB-ZETCQYMHSA-N 0 0 152.197 1.228 10 0 ADAERN Nc1cc(C2CCCCC2)n[nH]c1=O 258125389 573768178 /nfs/dbraw/zinc/76/81/78/573768178.db2.gz ZUEJVCYMDTYXCL-UHFFFAOYSA-N 0 0 193.250 1.812 10 0 ADAERN C[C@@H](C1CC1)[N@H+](C)[C@H](C(=O)[O-])C1CC1 84093539 573768186 /nfs/dbraw/zinc/76/81/86/573768186.db2.gz SUVILHBGFBHRQQ-XVKPBYJWSA-N 0 0 197.278 1.580 10 0 ADAERN C[C@H]1Oc2c(O)cccc2NC1=O 259177605 573768193 /nfs/dbraw/zinc/76/81/93/573768193.db2.gz JKYNIUDNFKQSEY-RXMQYKEDSA-N 0 0 179.175 1.112 10 0 ADAERN CCn1ccnc1COC(C)C 257872115 573768194 /nfs/dbraw/zinc/76/81/94/573768194.db2.gz IHYDPPLELUYOBQ-UHFFFAOYSA-N 0 0 168.240 1.828 10 0 ADAERN COc1cc(NCO)c(OC)cc1C 258928668 573768197 /nfs/dbraw/zinc/76/81/97/573768197.db2.gz OOSDYHXMYWXITH-UHFFFAOYSA-N 0 0 197.234 1.374 10 0 ADAERN CC(C)CC1=N[C@@H]2CC[C@@H](O)C[C@@H]2O1 258126119 573768200 /nfs/dbraw/zinc/76/82/00/573768200.db2.gz WLYLDCZXNNZZSN-BBBLOLIVSA-N 0 0 197.278 1.743 10 0 ADAERN CC(C)(C)[C@H]1CC[C@@H](O)O1 238093070 573768203 /nfs/dbraw/zinc/76/82/03/573768203.db2.gz QDXJKFCYRKPIRX-RQJHMYQMSA-N 0 0 144.214 1.530 10 0 ADAERN Cc1cc(C(F)F)c(N)c(CO)n1 238508463 573768221 /nfs/dbraw/zinc/76/82/21/573768221.db2.gz ZFYROBHIJNWJSA-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cc1c(O)cc2c(c1O)C(=O)CCC2 238509449 573768228 /nfs/dbraw/zinc/76/82/28/573768228.db2.gz HOOJYHUKACYLIQ-UHFFFAOYSA-N 0 0 192.214 1.925 10 0 ADAERN CC(C)(C)[C@H]1CC[NH2+][C@H](C(=O)[O-])C1 238092064 573768246 /nfs/dbraw/zinc/76/82/46/573768246.db2.gz TYTJHUHYZVFQDK-YUMQZZPRSA-N 0 0 185.267 1.485 10 0 ADAERN O=Cc1nc(C(F)(F)F)cc(=O)[nH]1 108340850 573768277 /nfs/dbraw/zinc/76/82/77/573768277.db2.gz PWKIDCLVXAMRED-UHFFFAOYSA-N 0 0 192.096 1.014 10 0 ADAERN CO[C@H](CO)CCc1ccccc1O 257872322 573768286 /nfs/dbraw/zinc/76/82/86/573768286.db2.gz TWELYGCXWKWBNQ-JTQLQIEISA-N 0 0 196.246 1.332 10 0 ADAERN C[N@@H+](CC1CCC1)C[C@@H]1C[C@H]1C(=O)[O-] 258926376 573768293 /nfs/dbraw/zinc/76/82/93/573768293.db2.gz RCHGGSZJDIMYAU-VHSXEESVSA-N 0 0 197.278 1.439 10 0 ADAERN CC[C@H](O)c1ncccc1F 122561702 573768306 /nfs/dbraw/zinc/76/83/06/573768306.db2.gz DQBOXZYPHKJSSY-ZETCQYMHSA-N 0 0 155.172 1.664 10 0 ADAERN CCOCc1cnn(C(C)C)c1N 257871066 573768349 /nfs/dbraw/zinc/76/83/49/573768349.db2.gz FHXPYRFFFOPSGE-UHFFFAOYSA-N 0 0 183.255 1.583 10 0 ADAERN CN1CCc2cc(CCCO)ccc21 257871360 573768357 /nfs/dbraw/zinc/76/83/57/573768357.db2.gz TUCVHUGKYLXXFV-UHFFFAOYSA-N 0 0 191.274 1.604 10 0 ADAERN CSc1nc(C(F)(F)F)nn1C 108342766 573768364 /nfs/dbraw/zinc/76/83/64/573768364.db2.gz QUCGSARGDQKGFV-UHFFFAOYSA-N 0 0 197.185 1.556 10 0 ADAERN Cn1nc(C(F)(F)F)nc1Cl 108339063 573768373 /nfs/dbraw/zinc/76/83/73/573768373.db2.gz RGAYRZWZLFZIMB-UHFFFAOYSA-N 0 0 185.536 1.487 10 0 ADAERN CC1(C)C[C@]1(CO)c1cc[nH]c1 258926836 573768381 /nfs/dbraw/zinc/76/83/81/573768381.db2.gz AAEOJIYLLPKANO-JTQLQIEISA-N 0 0 165.236 1.675 10 0 ADAERN OCCC(F)(F)c1cc[nH]c1 258927951 573768389 /nfs/dbraw/zinc/76/83/89/573768389.db2.gz AFAZWYJIKWBFCW-UHFFFAOYSA-N 0 0 161.151 1.489 10 0 ADAERN CCCOC(=O)CC(C)=O 100053734 573768396 /nfs/dbraw/zinc/76/83/96/573768396.db2.gz MNZFLFPWVQKJIH-WAYWQWQTSA-N 0 0 144.170 1.401 10 0 ADAERN C[C@H]1O[C@H]1C(=O)Cc1ccccc1 238509505 573768398 /nfs/dbraw/zinc/76/83/98/573768398.db2.gz VGDHPCSZCITQCC-LDYMZIIASA-N 0 0 176.215 1.586 10 0 ADAERN CC(=O)c1nc(C(F)(F)F)nn1C 108340975 573768451 /nfs/dbraw/zinc/76/84/51/573768451.db2.gz SKUBDTOANHZDCU-UHFFFAOYSA-N 0 0 193.128 1.037 10 0 ADAERN COC[C@H]1CCNc2c(O)cccc21 257872328 573768464 /nfs/dbraw/zinc/76/84/64/573768464.db2.gz TWFWWKJLXHCHNX-MRVPVSSYSA-N 0 0 193.246 1.938 10 0 ADAERN Nc1cc(C2CC2)[nH]c(=O)c1 258423991 573768474 /nfs/dbraw/zinc/76/84/74/573768474.db2.gz CFEKKVDMWZDZPN-UHFFFAOYSA-N 0 0 150.181 1.247 10 0 ADAERN C[C@@H]1Oc2c(O)cccc2NC1=O 259177608 573768476 /nfs/dbraw/zinc/76/84/76/573768476.db2.gz JKYNIUDNFKQSEY-YFKPBYRVSA-N 0 0 179.175 1.112 10 0 ADAERN CCn1nnc(C2CCCCC2)c1N 257871403 573768551 /nfs/dbraw/zinc/76/85/51/573768551.db2.gz TVEMIQLVZCFHAG-UHFFFAOYSA-N 0 0 194.282 1.928 10 0 ADAERN O=C1NOC[C@H](c2cccc(O)c2)O1 257872550 573768571 /nfs/dbraw/zinc/76/85/71/573768571.db2.gz TZUUTIKMRYEDCM-MRVPVSSYSA-N 0 0 195.174 1.105 10 0 ADAERN C[C@H](O)CCN1CCC(C)(C)CC1=O 108346771 573768666 /nfs/dbraw/zinc/76/86/66/573768666.db2.gz WABSOWRZVRTNJK-VIFPVBQESA-N 0 0 199.294 1.406 10 0 ADAERN CC[C@@H](O)C(=O)c1cnccc1OC 308713222 573768671 /nfs/dbraw/zinc/76/86/71/573768671.db2.gz ZXZHPEOBPSSKEI-MRVPVSSYSA-N 0 0 195.218 1.044 10 0 ADAERN C[N@@H+](CC1CCC1)C[C@H]1C[C@@H]1C(=O)[O-] 258926379 573768673 /nfs/dbraw/zinc/76/86/73/573768673.db2.gz RCHGGSZJDIMYAU-ZJUUUORDSA-N 0 0 197.278 1.439 10 0 ADAERN C[C@H](O)CCN1CCC(C)(C)C1=O 108338379 573768675 /nfs/dbraw/zinc/76/86/75/573768675.db2.gz JTKVNNHOMUQOLA-QMMMGPOBSA-N 0 0 185.267 1.016 10 0 ADAERN C[N@@H+]1CCC[C@@H](C[C@H](F)C(=O)[O-])C1 257870324 573768681 /nfs/dbraw/zinc/76/86/81/573768681.db2.gz SWZSFPRACBWTKK-YUMQZZPRSA-N 0 0 189.230 1.141 10 0 ADAERN Cc1nc2[nH]ccc2cc1[S@](C)=O 238508866 573768694 /nfs/dbraw/zinc/76/86/94/573768694.db2.gz MUYIRUDOIOWFMD-ZDUSSCGKSA-N 0 0 194.259 1.609 10 0 ADAERN CCC/C=C/C[C@@H]([NH3+])CC(=O)[O-] 215363697 573768697 /nfs/dbraw/zinc/76/86/97/573768697.db2.gz FBJHAMGGVKCNEB-WTSVBCDHSA-N 0 0 171.240 1.535 10 0 ADAERN CC1=NN(C)C(=O)Nc2ccccc21 238510149 573768702 /nfs/dbraw/zinc/76/87/02/573768702.db2.gz YMBGPCZJSMCSNW-UHFFFAOYSA-N 0 0 189.218 1.888 10 0 ADAERN CC(=O)c1ncc(C(F)(F)F)cn1 108340571 573768708 /nfs/dbraw/zinc/76/87/08/573768708.db2.gz HHGLJGUUVSLSFC-UHFFFAOYSA-N 0 0 190.124 1.698 10 0 ADAERN CCn1c(=O)[nH]c2cccc(OC)c21 257871015 573768715 /nfs/dbraw/zinc/76/87/15/573768715.db2.gz FGSILDQMAWCNEQ-UHFFFAOYSA-N 0 0 192.218 1.358 10 0 ADAERN Nc1noc(C[C@@H]2CCCCS2)n1 257872613 573770027 /nfs/dbraw/zinc/77/00/27/573770027.db2.gz AKCFPQQESSLJTF-LURJTMIESA-N 0 0 199.279 1.480 10 0 ADAERN C=C=CBr 100069593 573770028 /nfs/dbraw/zinc/77/00/28/573770028.db2.gz UUIORUQWCRSGJS-UHFFFAOYSA-N 0 0 118.961 1.680 10 0 ADAERN CC(=O)CBr 100096817 573770038 /nfs/dbraw/zinc/77/00/38/573770038.db2.gz CFFYXCJAWIFWGK-IHWYPQMZSA-N 0 0 136.976 1.801 10 0 ADAERN Cc1cnc(C(F)F)cc1CO 238509664 573769295 /nfs/dbraw/zinc/76/92/95/573769295.db2.gz UQMOLKQSBUSCCM-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN c1[nH]nc2sc(C3CC3)nc12 238097253 573769317 /nfs/dbraw/zinc/76/93/17/573769317.db2.gz GGKRRSCDNAWBNN-UHFFFAOYSA-N 0 0 165.221 1.897 10 0 ADAERN COC(=O)CCc1nnc(C(C)C)[nH]1 259565496 573769334 /nfs/dbraw/zinc/76/93/34/573769334.db2.gz VVHFVOROZBIJDX-UHFFFAOYSA-N 0 0 197.238 1.034 10 0 ADAERN CN1C[C@@H](n2cccc2)CCC1=O 84090764 573769345 /nfs/dbraw/zinc/76/93/45/573769345.db2.gz NNDHIYOTSVDYDM-VIFPVBQESA-N 0 0 178.235 1.281 10 0 ADAERN C/C=C\C(=O)N(C)CCSC 393668809 573769352 /nfs/dbraw/zinc/76/93/52/573769352.db2.gz NXJCSUUAIAUEFE-PLNGDYQASA-N 0 0 173.281 1.384 10 0 ADAERN Nc1nc(C[C@@H]2CCCSC2)no1 258124537 573769355 /nfs/dbraw/zinc/76/93/55/573769355.db2.gz UGRQESDAJCLWRD-LURJTMIESA-N 0 0 199.279 1.338 10 0 ADAERN CC(=O)[C@](C)(N)[C@H](O)c1ccccc1 238097465 573769372 /nfs/dbraw/zinc/76/93/72/573769372.db2.gz SUPILDJNIZEMLA-MNOVXSKESA-N 0 0 193.246 1.026 10 0 ADAERN CCN(CC)c1cc(CO)ccn1 40863910 573769396 /nfs/dbraw/zinc/76/93/96/573769396.db2.gz YUBJKQLPLHDJKA-UHFFFAOYSA-N 0 0 180.251 1.420 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)CC1CC1 689989426 573769421 /nfs/dbraw/zinc/76/94/21/573769421.db2.gz MTQCPWZUBQKFKP-IONNQARKSA-N 0 0 154.209 1.391 10 0 ADAERN Cc1cc2cc(O)ccc2n1N 238508532 573769423 /nfs/dbraw/zinc/76/94/23/573769423.db2.gz TUUNAURFMQSLIJ-UHFFFAOYSA-N 0 0 162.192 1.369 10 0 ADAERN Cc1cnc(C(F)F)c(O)c1CO 238508700 573769439 /nfs/dbraw/zinc/76/94/39/573769439.db2.gz HBNQYBMMQKFTMF-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN Cc1cnc(C(N)=O)c(C(F)F)c1 238510024 573769453 /nfs/dbraw/zinc/76/94/53/573769453.db2.gz JWNRWNSALYXDND-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN COc1cc(O)ccc1C1(CO)CC1 257871911 573769462 /nfs/dbraw/zinc/76/94/62/573769462.db2.gz YLSHZBZWAXXVQP-UHFFFAOYSA-N 0 0 194.230 1.425 10 0 ADAERN Oc1cccc2nc(C3CC3)cn12 257871069 573769472 /nfs/dbraw/zinc/76/94/72/573769472.db2.gz BAPSSVABJOSNII-UHFFFAOYSA-N 0 0 174.203 1.917 10 0 ADAERN CC(C)OC(=O)NCCn1cccn1 127087412 573769502 /nfs/dbraw/zinc/76/95/02/573769502.db2.gz WYJYHGWCMXQJKD-UHFFFAOYSA-N 0 0 197.238 1.018 10 0 ADAERN Cc1cn(C(C)C)c(CN(C)C)n1 257870963 573769515 /nfs/dbraw/zinc/76/95/15/573769515.db2.gz IAOVBCQPWLMEGY-UHFFFAOYSA-N 0 0 181.283 1.834 10 0 ADAERN COC(=O)/C=C/[C@H](C)CCCCO 238346079 573769531 /nfs/dbraw/zinc/76/95/31/573769531.db2.gz YJHFYLWDRBIVRF-XCODYQFDSA-N 0 0 186.251 1.514 10 0 ADAERN CC(=O)Nc1ccn(C(C)=O)c1 238097170 573769533 /nfs/dbraw/zinc/76/95/33/573769533.db2.gz UBLYZIDITOYHFZ-UHFFFAOYSA-N 0 0 166.180 1.107 10 0 ADAERN CSCC[C@@H](NN)C1CCCC1 127095177 573769536 /nfs/dbraw/zinc/76/95/36/573769536.db2.gz NUQLYAMFCYLGAW-SECBINFHSA-N 0 0 188.340 1.762 10 0 ADAERN Cc1ccc2[nH]c(CO)c(C)c2c1N 238509580 573769553 /nfs/dbraw/zinc/76/95/53/573769553.db2.gz IAPVXTGGEWTAFK-UHFFFAOYSA-N 0 0 190.246 1.859 10 0 ADAERN C[S@](=O)c1ccc(OC2CC2)cc1 238508922 573769568 /nfs/dbraw/zinc/76/95/68/573769568.db2.gz LWMATAVOPLSWJU-ZDUSSCGKSA-N 0 0 196.271 1.965 10 0 ADAERN C[C@H]1O[C@H]1C(=O)Nc1ccccc1O 238509583 573769584 /nfs/dbraw/zinc/76/95/84/573769584.db2.gz DKRNNYZXQFNOMG-HZGVNTEJSA-N 0 0 193.202 1.118 10 0 ADAERN CC1(C)OCOCC1C=O 100073484 573769587 /nfs/dbraw/zinc/76/95/87/573769587.db2.gz VZRSUFLOUXUXEB-ZZXKWVIFSA-N 0 0 144.170 1.211 10 0 ADAERN C[C@]1(O)CCc2ccc(F)cc21 259620561 573769596 /nfs/dbraw/zinc/76/95/96/573769596.db2.gz FGANXODANBVVGJ-JTQLQIEISA-N 0 0 166.195 1.979 10 0 ADAERN CCC(CC)[N@H+](C)[C@H](C(=O)[O-])C1CC1 84093570 573769597 /nfs/dbraw/zinc/76/95/97/573769597.db2.gz BXKORTWCJVSBMX-JTQLQIEISA-N 0 0 199.294 1.970 10 0 ADAERN Cc1cnc(C(F)F)c([O-])c1C[NH3+] 238508672 573769607 /nfs/dbraw/zinc/76/96/07/573769607.db2.gz NTSDPWHUWRBDBN-UHFFFAOYSA-N 0 0 188.177 1.492 10 0 ADAERN CN1CCCC[C@H]1c1ncc(C=O)o1 258124723 573769627 /nfs/dbraw/zinc/76/96/27/573769627.db2.gz OWOTXAZGJVSOOR-VIFPVBQESA-N 0 0 194.234 1.644 10 0 ADAERN COc1ccccc1[C@@H]1CC(=O)NN1 166697616 573769702 /nfs/dbraw/zinc/76/97/02/573769702.db2.gz GRVDXGHITMIQOT-QMMMGPOBSA-N 0 0 192.218 1.601 10 0 ADAERN Cc1c(O)cc2[nH]ccn2c1=O 238509671 573769715 /nfs/dbraw/zinc/76/97/15/573769715.db2.gz CVVMDTKQQFHYBU-UHFFFAOYSA-N 0 0 164.164 1.054 10 0 ADAERN CC1(C)CCC[N@@H+]1[C@@H](C(=O)[O-])C1CC1 84094838 573769731 /nfs/dbraw/zinc/76/97/31/573769731.db2.gz RCBIVHSDTIDOSC-SECBINFHSA-N 0 0 197.278 1.724 10 0 ADAERN CNc1cccc(NCCOC)c1 259178100 573769735 /nfs/dbraw/zinc/76/97/35/573769735.db2.gz HIGWSBAXODKKLG-UHFFFAOYSA-N 0 0 180.251 1.787 10 0 ADAERN Cc1cc(C(F)F)c(N)nc1C=O 238508893 573769768 /nfs/dbraw/zinc/76/97/68/573769768.db2.gz XRYPCGOJBXWHPA-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN O=c1[nH]n(C2CCCC2)c2c1COC2 257872385 573769769 /nfs/dbraw/zinc/76/97/69/573769769.db2.gz TXGMWGCBUOJLFN-UHFFFAOYSA-N 0 0 194.234 1.734 10 0 ADAERN C[C@H]1O[C@H](O)Cc2ccccc21 238508506 573769793 /nfs/dbraw/zinc/76/97/93/573769793.db2.gz PBYVIHZLZCRHRN-XCBNKYQSSA-N 0 0 164.204 1.639 10 0 ADAERN Nc1noc(C[C@H]2CCCCS2)n1 257872614 573769796 /nfs/dbraw/zinc/76/97/96/573769796.db2.gz AKCFPQQESSLJTF-ZCFIWIBFSA-N 0 0 199.279 1.480 10 0 ADAERN C[C@@]1(O)CCc2ccc(F)cc21 259620573 573769820 /nfs/dbraw/zinc/76/98/20/573769820.db2.gz FGANXODANBVVGJ-SNVBAGLBSA-N 0 0 166.195 1.979 10 0 ADAERN CSC[C@H](O)c1cc[nH]c1 259177609 573769843 /nfs/dbraw/zinc/76/98/43/573769843.db2.gz LWMXDSLTYGZTHS-ZETCQYMHSA-N 0 0 157.238 1.411 10 0 ADAERN CSC[C@@H](O)c1cc[nH]c1 259177606 573769849 /nfs/dbraw/zinc/76/98/49/573769849.db2.gz LWMXDSLTYGZTHS-SSDOTTSWSA-N 0 0 157.238 1.411 10 0 ADAERN Cc1ccc([C@@H](O)[C@H]2CO2)cc1 238509684 573769859 /nfs/dbraw/zinc/76/98/59/573769859.db2.gz QNZHBYDKMRJHEH-NXEZZACHSA-N 0 0 164.204 1.427 10 0 ADAERN Clc1cnccc1Cn1cncn1 84088297 573769886 /nfs/dbraw/zinc/76/98/86/573769886.db2.gz GSMOJOQUPGAIHX-UHFFFAOYSA-N 0 0 194.625 1.375 10 0 ADAERN Nc1[nH][nH]c(=O)c1-c1cccc(F)c1 258933276 573769931 /nfs/dbraw/zinc/76/99/31/573769931.db2.gz XNOWAGCQMLFFFM-UHFFFAOYSA-N 0 0 193.181 1.504 10 0 ADAERN C[C@H]1CCCC[N@@H+]1[C@H](C(=O)[O-])C1CC1 84092891 573769953 /nfs/dbraw/zinc/76/99/53/573769953.db2.gz YOJDABFWZWJPOM-WPRPVWTQSA-N 0 0 197.278 1.724 10 0 ADAERN CCCCOCCNc1ccncn1 40863352 573769966 /nfs/dbraw/zinc/76/99/66/573769966.db2.gz ODKWFOQRJJWLOK-UHFFFAOYSA-N 0 0 195.266 1.705 10 0 ADAERN CC(=O)CCCNC(=O)C(F)(F)F 238096869 573769973 /nfs/dbraw/zinc/76/99/73/573769973.db2.gz WWYBJSJELXOYNY-UHFFFAOYSA-N 0 0 197.156 1.034 10 0 ADAERN Cc1cc(C(F)F)c(=O)[nH]c1CO 238510155 573769978 /nfs/dbraw/zinc/76/99/78/573769978.db2.gz ZJUCLSHGAKFCFB-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN OCCCn1ccc2ccncc21 258125967 573769982 /nfs/dbraw/zinc/76/99/82/573769982.db2.gz NCMNFFHFVWFKKM-UHFFFAOYSA-N 0 0 176.219 1.419 10 0 ADAERN COC(=O)c1ccnc(SC)c1N 84095834 573769994 /nfs/dbraw/zinc/76/99/94/573769994.db2.gz IQGTYACTRUIRHN-UHFFFAOYSA-N 0 0 198.247 1.172 10 0 ADAERN CC(C)(C)[C@H]1C[C@@H]1NC(N)=O 238096444 573770003 /nfs/dbraw/zinc/77/00/03/573770003.db2.gz IMLCFHQDNXLVJF-WDSKDSINSA-N 0 0 156.229 1.089 10 0 ADAERN COc1cc(N)c2nn(C)c(C)c2c1 259565435 573770013 /nfs/dbraw/zinc/77/00/13/573770013.db2.gz VTFFOGBDRVBDBX-UHFFFAOYSA-N 0 0 191.234 1.473 10 0 ADAERN CCO[C@H]1C[C@H]1NC(=O)CC(C)C 308435150 573774005 /nfs/dbraw/zinc/77/40/05/573774005.db2.gz VWQLMYLQXXSTHV-BDAKNGLRSA-N 0 0 185.267 1.326 10 0 ADAERN Cc1nc2nc(CO)ccc2o1 238510295 573773297 /nfs/dbraw/zinc/77/32/97/573773297.db2.gz FLBROZRTWNWPRD-UHFFFAOYSA-N 0 0 164.164 1.024 10 0 ADAERN Cc1nc(C)c(C(C)(C)O)s1 82418899 573773318 /nfs/dbraw/zinc/77/33/18/573773318.db2.gz PQQQIRCCJVHQJO-UHFFFAOYSA-N 0 0 171.265 1.987 10 0 ADAERN Nc1noc(CCC(F)(F)F)n1 84124748 573773341 /nfs/dbraw/zinc/77/33/41/573773341.db2.gz OWLOLGQMKDGUAY-UHFFFAOYSA-N 0 0 181.117 1.147 10 0 ADAERN Cn1cc(-c2cccc(O)c2)[nH]c1=O 238510738 573773381 /nfs/dbraw/zinc/77/33/81/573773381.db2.gz KXFPMMZKWISDTD-UHFFFAOYSA-N 0 0 190.202 1.086 10 0 ADAERN C/C=C\CCNC(=O)[C@@H](CC)CO 308435505 573773382 /nfs/dbraw/zinc/77/33/82/573773382.db2.gz WBHQZRNDFBUCCL-LVCFMKKZSA-N 0 0 185.267 1.087 10 0 ADAERN CS[C@H](C)CNc1nncs1 122626594 573773409 /nfs/dbraw/zinc/77/34/09/573773409.db2.gz QQPRRKOFJBCMSZ-RXMQYKEDSA-N 0 0 189.309 1.702 10 0 ADAERN Cc1cccc([C@@H]2C[C@H](O)C(=O)O2)c1 238511410 573773411 /nfs/dbraw/zinc/77/34/11/573773411.db2.gz AISJUGBDBGGHIU-UWVGGRQHSA-N 0 0 192.214 1.344 10 0 ADAERN CC(C)COc1ccc(CO)nn1 40883214 573773414 /nfs/dbraw/zinc/77/34/14/573773414.db2.gz YEFPGDCBWCFZIG-UHFFFAOYSA-N 0 0 182.223 1.004 10 0 ADAERN CNCc1nnc([C@H]2CCCO2)s1 84118419 573773434 /nfs/dbraw/zinc/77/34/34/573773434.db2.gz MTJNLFRRTGNBGO-ZCFIWIBFSA-N 0 0 199.279 1.109 10 0 ADAERN O=C1[C@H](O)CCCN1C1CCCCC1 259187645 573773452 /nfs/dbraw/zinc/77/34/52/573773452.db2.gz BMRMMIAQOWUOGX-SNVBAGLBSA-N 0 0 197.278 1.302 10 0 ADAERN CC(C)COc1ccnc(CO)c1 40883197 573773469 /nfs/dbraw/zinc/77/34/69/573773469.db2.gz LHDZHLHXBGDQFQ-UHFFFAOYSA-N 0 0 181.235 1.609 10 0 ADAERN COC(=O)C=CNCCC1CCCC1 308435078 573773482 /nfs/dbraw/zinc/77/34/82/573773482.db2.gz LORDCQAKQDYZBH-CLFYSBASSA-N 0 0 197.278 1.843 10 0 ADAERN C[C@H]1COc2c(O)cccc2N1 259180887 573773485 /nfs/dbraw/zinc/77/34/85/573773485.db2.gz JQOSMLZPTJJBKU-LURJTMIESA-N 0 0 165.192 1.585 10 0 ADAERN N#CNc1ncc(Cl)cn1 238511313 573773486 /nfs/dbraw/zinc/77/34/86/573773486.db2.gz CJMJAKVBYDVSJV-UHFFFAOYSA-N 0 0 154.560 1.023 10 0 ADAERN Cc1ccc(N)c2c1CCC2=O 238510340 573773492 /nfs/dbraw/zinc/77/34/92/573773492.db2.gz FMRVNJJSOXIRCB-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN C[C@@H](CC[C@@H]1CCCCO1)NN 127152516 573773494 /nfs/dbraw/zinc/77/34/94/573773494.db2.gz MOFWRLMIPRGBLE-IUCAKERBSA-N 0 0 172.272 1.188 10 0 ADAERN COCc1c[nH]c(C(C)=O)c1 108366515 573773503 /nfs/dbraw/zinc/77/35/03/573773503.db2.gz QLHRVZBVLYKXTQ-UHFFFAOYSA-N 0 0 153.181 1.364 10 0 ADAERN CC(C)[C@H](C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] 258128212 573773556 /nfs/dbraw/zinc/77/35/56/573773556.db2.gz QCUDXEMYTYEKOA-UWVGGRQHSA-N 0 0 199.294 1.685 10 0 ADAERN C=CNC(=O)Oc1ccc(C=O)cc1 238102219 573773562 /nfs/dbraw/zinc/77/35/62/573773562.db2.gz SVDUFJHIQATNHS-UHFFFAOYSA-N 0 0 191.186 1.731 10 0 ADAERN C[NH2+][C@@H](C)c1nc2cnccc2n1C 84132246 573773564 /nfs/dbraw/zinc/77/35/64/573773564.db2.gz MZQKWXXRDVHOML-ZETCQYMHSA-N 0 0 190.250 1.249 10 0 ADAERN CCCCOc1ccnc(CO)c1 40884123 573773567 /nfs/dbraw/zinc/77/35/67/573773567.db2.gz MYMMSYPIBXOFHE-UHFFFAOYSA-N 0 0 181.235 1.753 10 0 ADAERN Cc1ccc(N2C(=O)C=C[C@H]2O)cc1 238511290 573773574 /nfs/dbraw/zinc/77/35/74/573773574.db2.gz USJPXFYDXRZAKN-SNVBAGLBSA-N 0 0 189.214 1.216 10 0 ADAERN CCN(c1ccc(CO)cn1)C(C)C 40877189 573773586 /nfs/dbraw/zinc/77/35/86/573773586.db2.gz PVPIYHUETSEIRO-UHFFFAOYSA-N 0 0 194.278 1.809 10 0 ADAERN CC(=O)[C@]1(C)CC(=O)C1(C)C 238099854 573773589 /nfs/dbraw/zinc/77/35/89/573773589.db2.gz CZQZZPPFZNNUEX-VIFPVBQESA-N 0 0 154.209 1.581 10 0 ADAERN COCc1c(CON)cccc1OC 258126515 573773599 /nfs/dbraw/zinc/77/35/99/573773599.db2.gz RCSWDISWYPFNNH-UHFFFAOYSA-N 0 0 197.234 1.232 10 0 ADAERN OCc1cnoc1[C@@H]1CCCOC1 259180879 573773612 /nfs/dbraw/zinc/77/36/12/573773612.db2.gz JQIVPLPHNDZPLP-SSDOTTSWSA-N 0 0 183.207 1.061 10 0 ADAERN COc1ccn2nc(C3CC3)nc2c1 257874778 573773618 /nfs/dbraw/zinc/77/36/18/573773618.db2.gz BLQGINJOHCMGGQ-UHFFFAOYSA-N 0 0 189.218 1.615 10 0 ADAERN Cc1nc(CN(C)C)co1 258126257 573773620 /nfs/dbraw/zinc/77/36/20/573773620.db2.gz JWEJCRARMDFUPA-UHFFFAOYSA-N 0 0 140.186 1.045 10 0 ADAERN CC[C@@H](C)N(C)c1ccc(CO)nn1 40865211 573773635 /nfs/dbraw/zinc/77/36/35/573773635.db2.gz VPLSLRJYSVMNMQ-MRVPVSSYSA-N 0 0 195.266 1.204 10 0 ADAERN CC(=O)Nc1cncc2nc(C)oc12 238099468 573773643 /nfs/dbraw/zinc/77/36/43/573773643.db2.gz YOBFOWDMEMKXMU-UHFFFAOYSA-N 0 0 191.190 1.490 10 0 ADAERN CCN(c1ccc(CO)nn1)C(C)C 40877204 573773649 /nfs/dbraw/zinc/77/36/49/573773649.db2.gz RWLZXZUBINMPAS-UHFFFAOYSA-N 0 0 195.266 1.204 10 0 ADAERN CC[C@H](C)N(C)c1cc(CO)ccn1 40865202 573773657 /nfs/dbraw/zinc/77/36/57/573773657.db2.gz LQIVWGLUQDBEIW-VIFPVBQESA-N 0 0 194.278 1.809 10 0 ADAERN Nc1cccnc1Cc1nccs1 122616814 573773662 /nfs/dbraw/zinc/77/36/62/573773662.db2.gz ZTIDDRORZNIPNO-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CC(C)(CO)c1cc(F)ccc1O 258126506 573773669 /nfs/dbraw/zinc/77/36/69/573773669.db2.gz RCPITKSBTBPFAW-UHFFFAOYSA-N 0 0 184.210 1.801 10 0 ADAERN CCCCN(C)c1ccc(CO)nn1 40864329 573773683 /nfs/dbraw/zinc/77/36/83/573773683.db2.gz MNYTUEYBBYNTNA-UHFFFAOYSA-N 0 0 195.266 1.205 10 0 ADAERN C[C@H]1O[C@]12CCCCC2=O 238511583 573773691 /nfs/dbraw/zinc/77/36/91/573773691.db2.gz FWXROCUBJDIKQX-HTRCEHHLSA-N 0 0 140.182 1.287 10 0 ADAERN CC[C@@H](C)N(C)c1cc(CO)ccn1 40865199 573773697 /nfs/dbraw/zinc/77/36/97/573773697.db2.gz LQIVWGLUQDBEIW-SECBINFHSA-N 0 0 194.278 1.809 10 0 ADAERN CNCc1nnc(CSC)s1 84118465 573773699 /nfs/dbraw/zinc/77/36/99/573773699.db2.gz DKDWGXXIWWTXDM-UHFFFAOYSA-N 0 0 189.309 1.121 10 0 ADAERN CC(C)C1=NNC(=O)C1F 108366308 573773723 /nfs/dbraw/zinc/77/37/23/573773723.db2.gz MHRIZJXCFWHFIF-UHFFFAOYSA-N 0 0 144.149 1.378 10 0 ADAERN Cn1ncc(Br)c1Cl 84251629 573773731 /nfs/dbraw/zinc/77/37/31/573773731.db2.gz RNUUKIVMZUYLJQ-UHFFFAOYSA-N 0 0 195.447 1.836 10 0 ADAERN CN(CC1CC1)c1ncccc1CO 40879201 573773742 /nfs/dbraw/zinc/77/37/42/573773742.db2.gz OCSWMASWSUAOPQ-UHFFFAOYSA-N 0 0 192.262 1.420 10 0 ADAERN Cc1cc(CN(C)CO)ccc1F 258934213 573773758 /nfs/dbraw/zinc/77/37/58/573773758.db2.gz PHZVQWDPOZRXLO-UHFFFAOYSA-N 0 0 183.226 1.516 10 0 ADAERN CC(C)[N@@H+]1C[C@H](C(=O)[O-])CCC1(C)C 259567301 573773762 /nfs/dbraw/zinc/77/37/62/573773762.db2.gz YKQVIPNQCHQNQS-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN O=C([O-])/C=C\c1[nH+]cc2ccccn12 308435460 573773770 /nfs/dbraw/zinc/77/37/70/573773770.db2.gz MTZLRZZUPBBLEF-PLNGDYQASA-N 0 0 188.186 1.432 10 0 ADAERN COC[C@@H](C)NC(=O)/C=C\C1CC1 308436371 573773782 /nfs/dbraw/zinc/77/37/82/573773782.db2.gz WSZSBNOMWCBNGF-RPSMYOMKSA-N 0 0 183.251 1.104 10 0 ADAERN OCc1coc(Br)c1F 108365440 573773827 /nfs/dbraw/zinc/77/38/27/573773827.db2.gz DNGIUMJLZPIWBC-UHFFFAOYSA-N 0 0 194.987 1.674 10 0 ADAERN CC[C@H](C)N(C)c1ccc(CO)cn1 40865190 573773830 /nfs/dbraw/zinc/77/38/30/573773830.db2.gz RHSXZXYPHXUFMC-VIFPVBQESA-N 0 0 194.278 1.809 10 0 ADAERN CCC(C)(C)Oc1ccc(CO)nn1 40883733 573773843 /nfs/dbraw/zinc/77/38/43/573773843.db2.gz SOQYHEVKHARTTR-UHFFFAOYSA-N 0 0 196.250 1.536 10 0 ADAERN CC(=O)[C@]1(C)CC(C)(C)C1=O 238099905 573773869 /nfs/dbraw/zinc/77/38/69/573773869.db2.gz GFHFRWROVIXUGD-VIFPVBQESA-N 0 0 154.209 1.581 10 0 ADAERN CCC[C@H]([C@H](C)CC(=O)[O-])[NH+](C)C 259567650 573773878 /nfs/dbraw/zinc/77/38/78/573773878.db2.gz PAFNPKQTKLJROB-RKDXNWHRSA-N 0 0 187.283 1.828 10 0 ADAERN Oc1ccc2c(c1)N(C1CC1)CCN2 257874348 573773882 /nfs/dbraw/zinc/77/38/82/573773882.db2.gz UESAAZRBRBDJBC-UHFFFAOYSA-N 0 0 190.246 1.787 10 0 ADAERN CN(C)[C@@H](O)c1cc(F)ccc1F 259567531 573773910 /nfs/dbraw/zinc/77/39/10/573773910.db2.gz OZTMQSPBLJISPG-VIFPVBQESA-N 0 0 187.189 1.517 10 0 ADAERN CC[C@@H](C)Oc1ccc(CO)nn1 40884192 573773914 /nfs/dbraw/zinc/77/39/14/573773914.db2.gz UNQCPHUOAAWOHX-SSDOTTSWSA-N 0 0 182.223 1.146 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)C(C)(C)F)C1 308435559 573773931 /nfs/dbraw/zinc/77/39/31/573773931.db2.gz WEAMMGIZDWOIPO-KNVOCYPGSA-N 0 0 190.214 1.455 10 0 ADAERN Cc1cnc(C(N)=O)cc1C(F)F 238510447 573773932 /nfs/dbraw/zinc/77/39/32/573773932.db2.gz PTTSJSXESUBUHL-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN COC(=O)[C@@]1(c2ccn(C)c2)C[C@H]1C 259567951 573773940 /nfs/dbraw/zinc/77/39/40/573773940.db2.gz IYRJCCQCADGKOJ-KCJUWKMLSA-N 0 0 193.246 1.476 10 0 ADAERN Cc1cc(C(F)F)c(=O)[nH]c1N 238510246 573773942 /nfs/dbraw/zinc/77/39/42/573773942.db2.gz WSDQJFPZIAYKSC-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CCc1ccc(CN(C)CNN)cc1 259179051 573773945 /nfs/dbraw/zinc/77/39/45/573773945.db2.gz UYJMZVFWQYOLPJ-UHFFFAOYSA-N 0 0 193.294 1.102 10 0 ADAERN CC(=O)[C@]1(C)SCC[C@H](O)S1 238101894 573773949 /nfs/dbraw/zinc/77/39/49/573773949.db2.gz QRTXQQRUOYOWCR-RNFRBKRXSA-N 0 0 192.305 1.480 10 0 ADAERN CC(=O)[C@]1([Si](C)(C)C)O[C@@H]1C 238511202 573773951 /nfs/dbraw/zinc/77/39/51/573773951.db2.gz RZQJCGOXPIYBJY-HTQZYQBOSA-N 0 0 172.300 1.610 10 0 ADAERN Cc1nc(C)c2cc(C)c(=O)[nH]c2n1 238511579 573773957 /nfs/dbraw/zinc/77/39/57/573773957.db2.gz CQEOSSHAOCXRKT-UHFFFAOYSA-N 0 0 189.218 1.243 10 0 ADAERN CCO[C@@H](C)CNC(=O)C1=CCC1 308435137 573773961 /nfs/dbraw/zinc/77/39/61/573773961.db2.gz VVWJFKRJCPOBIN-QMMMGPOBSA-N 0 0 183.251 1.248 10 0 ADAERN Cc1ccoc1-c1nnc(CN)s1 84117047 573773968 /nfs/dbraw/zinc/77/39/68/573773968.db2.gz XXSRADRIOAFIJY-UHFFFAOYSA-N 0 0 195.247 1.565 10 0 ADAERN CC(C)CCOc1ncccc1CO 40883335 573773976 /nfs/dbraw/zinc/77/39/76/573773976.db2.gz XPAABURRYIAYMQ-UHFFFAOYSA-N 0 0 195.262 1.999 10 0 ADAERN O=C1CCCCN1c1ccc(F)cn1 108365747 573773989 /nfs/dbraw/zinc/77/39/89/573773989.db2.gz IJUYZTHZZMEKAJ-UHFFFAOYSA-N 0 0 194.209 1.738 10 0 ADAERN C[C@H](O)Cc1ccc(F)c(O)c1F 258126371 573773999 /nfs/dbraw/zinc/77/39/99/573773999.db2.gz QXZBQENMBKVYSS-YFKPBYRVSA-N 0 0 188.173 1.594 10 0 ADAERN C[C@H]1O[C@]1(CO)C(C)(C)C 238511505 573774990 /nfs/dbraw/zinc/77/49/90/573774990.db2.gz VNDGLBVFBBIJQH-SVRRBLITSA-N 0 0 144.214 1.182 10 0 ADAERN Oc1ccccc1C[C@]1(O)CCOC1 257874409 573775004 /nfs/dbraw/zinc/77/50/04/573775004.db2.gz UFUIIBHXFQSAIK-LLVKDONJSA-N 0 0 194.230 1.086 10 0 ADAERN CC(C)(C)OC(=O)/C=C1/CCC(=O)N1 238102047 573775011 /nfs/dbraw/zinc/77/50/11/573775011.db2.gz WBWXVSWABDYZGC-SREVYHEPSA-N 0 0 197.234 1.122 10 0 ADAERN Cc1ccc(N)cc1C(O)=S 238511581 573775024 /nfs/dbraw/zinc/77/50/24/573775024.db2.gz GIPOOOGCQOEXQF-UHFFFAOYSA-N 0 0 167.233 1.811 10 0 ADAERN NC(=O)[C@H]1CCc2ccc(F)cc2N1 257874483 573775034 /nfs/dbraw/zinc/77/50/34/573775034.db2.gz UHXCFSJNBLFZDV-MRVPVSSYSA-N 0 0 194.209 1.038 10 0 ADAERN Nc1cccnc1-c1cncc(F)c1 122609482 573775048 /nfs/dbraw/zinc/77/50/48/573775048.db2.gz ZYAOFDIDXMINBZ-UHFFFAOYSA-N 0 0 189.193 1.865 10 0 ADAERN O=C1NNC[C@@H](c2ccccc2F)O1 257874379 573775053 /nfs/dbraw/zinc/77/50/53/573775053.db2.gz UFHKODGFJFSYNP-QMMMGPOBSA-N 0 0 196.181 1.111 10 0 ADAERN CCO[C@H](C)C(=O)O[C@H](C)C(C)C 308434989 573775072 /nfs/dbraw/zinc/77/50/72/573775072.db2.gz VUUVVHFXVVZYRM-RKDXNWHRSA-N 0 0 188.267 1.999 10 0 ADAERN Cc1ccc2[nH]nc(CCCO)c2c1 238511712 573775086 /nfs/dbraw/zinc/77/50/86/573775086.db2.gz KBZBNBFLTPRFHJ-UHFFFAOYSA-N 0 0 190.246 1.796 10 0 ADAERN CC[C@@H]1CCC(=O)N(C[C@@H](C)O)CC1 79225991 573775090 /nfs/dbraw/zinc/77/50/90/573775090.db2.gz GHBMFFFUYWXQGG-NXEZZACHSA-N 0 0 199.294 1.406 10 0 ADAERN COC[C@@H](C)NC(=O)/C=C/C1CC1 308436370 573775093 /nfs/dbraw/zinc/77/50/93/573775093.db2.gz WSZSBNOMWCBNGF-HQZHTGGTSA-N 0 0 183.251 1.104 10 0 ADAERN CC(C)[C@@H]1CCCN1C(=O)C1([NH3+])CC1 84126129 573775099 /nfs/dbraw/zinc/77/50/99/573775099.db2.gz LBJXIEKSHTZJKD-VIFPVBQESA-N 0 0 196.294 1.125 10 0 ADAERN Nc1cccnc1-c1cnccn1 122612553 573775115 /nfs/dbraw/zinc/77/51/15/573775115.db2.gz DRIPMPRLUSLDAB-UHFFFAOYSA-N 0 0 172.191 1.121 10 0 ADAERN COC(=O)c1cocc1F 108365444 573775122 /nfs/dbraw/zinc/77/51/22/573775122.db2.gz VHHKUSIIQQHMAQ-UHFFFAOYSA-N 0 0 144.101 1.205 10 0 ADAERN CCC1(CN[C@@H]2CCOC2=O)CCC1 308717102 573775132 /nfs/dbraw/zinc/77/51/32/573775132.db2.gz BSTOPTIGXMYYIN-SECBINFHSA-N 0 0 197.278 1.472 10 0 ADAERN CC1(C)Nc2ccccc2OC1=O 258422912 573775137 /nfs/dbraw/zinc/77/51/37/573775137.db2.gz FBMREDFDNLNILQ-UHFFFAOYSA-N 0 0 177.203 1.796 10 0 ADAERN COCCCC(=O)[C@@H]1CC[C@@H](C)O1 122617669 573775141 /nfs/dbraw/zinc/77/51/41/573775141.db2.gz JCBQEGVHPWOZHN-SCZZXKLOSA-N 0 0 186.251 1.550 10 0 ADAERN Cc1cc2cccc(O)c2n1N 238511526 573775145 /nfs/dbraw/zinc/77/51/45/573775145.db2.gz ORWPUVVYUKZUFJ-UHFFFAOYSA-N 0 0 162.192 1.369 10 0 ADAERN CC(=O)[C@]1(C)CC=C(C)[C@]1(C)O 238100109 573775174 /nfs/dbraw/zinc/77/51/74/573775174.db2.gz ZTLKODBANOSLON-UWVGGRQHSA-N 0 0 168.236 1.683 10 0 ADAERN COC(=O)[C@]1(c2ccn(C)c2)C[C@H]1C 259567955 573775180 /nfs/dbraw/zinc/77/51/80/573775180.db2.gz IYRJCCQCADGKOJ-LDYMZIIASA-N 0 0 193.246 1.476 10 0 ADAERN C[C@]12CCCC[C@H]1NC(=O)NC2 238511686 573775193 /nfs/dbraw/zinc/77/51/93/573775193.db2.gz BSBIYALOJBUORS-VXNVDRBHSA-N 0 0 168.240 1.248 10 0 ADAERN NCC(=O)c1c(F)ccc2ccoc12 258126533 573775236 /nfs/dbraw/zinc/77/52/36/573775236.db2.gz RDCNBBVZPYHPBB-UHFFFAOYSA-N 0 0 193.177 1.713 10 0 ADAERN COCC1(COC(=O)C(F)F)CC1 308436180 573775265 /nfs/dbraw/zinc/77/52/65/573775265.db2.gz WOVAQFRACLFPDU-UHFFFAOYSA-N 0 0 194.177 1.221 10 0 ADAERN CC[C@H]1CCC(=O)N(C[C@@H](C)O)CC1 79225992 573775274 /nfs/dbraw/zinc/77/52/74/573775274.db2.gz GHBMFFFUYWXQGG-ZJUUUORDSA-N 0 0 199.294 1.406 10 0 ADAERN COc1ccc2cnc(C(C)=O)n2c1 257874481 573775279 /nfs/dbraw/zinc/77/52/79/573775279.db2.gz UHUIDCDHNNSFRJ-UHFFFAOYSA-N 0 0 190.202 1.546 10 0 ADAERN CC(C)n1c(C[NH3+])nc2cnccc21 84132652 573775299 /nfs/dbraw/zinc/77/52/99/573775299.db2.gz FXZWWGYFWPDCBR-UHFFFAOYSA-N 0 0 190.250 1.471 10 0 ADAERN CN(C)[C@@H](N)c1cc(F)ccc1F 259567521 573775320 /nfs/dbraw/zinc/77/53/20/573775320.db2.gz OZRVOZXQIIQMJE-SECBINFHSA-N 0 0 186.205 1.484 10 0 ADAERN CC[C@H]1CCC(=O)N(C[C@H](C)O)CC1 79225997 573775362 /nfs/dbraw/zinc/77/53/62/573775362.db2.gz GHBMFFFUYWXQGG-UWVGGRQHSA-N 0 0 199.294 1.406 10 0 ADAERN CC(C)[C@H]1CCCN1C=O 84128317 573775366 /nfs/dbraw/zinc/77/53/66/573775366.db2.gz XLCVQVLGTMLFIA-MRVPVSSYSA-N 0 0 141.214 1.263 10 0 ADAERN NOCCc1c(F)ccc(O)c1F 258126588 573775410 /nfs/dbraw/zinc/77/54/10/573775410.db2.gz RDVVSUXGPNLCTG-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN C=C=CC[C@H](O)COCCOC=C 238711499 573775420 /nfs/dbraw/zinc/77/54/20/573775420.db2.gz LVXPJYRKOQNUBF-JTQLQIEISA-N 0 0 184.235 1.255 10 0 ADAERN Cc1ccc(C(=O)C2(CO)CC2)o1 259180281 573775426 /nfs/dbraw/zinc/77/54/26/573775426.db2.gz NCZXKZWLQBQYCR-UHFFFAOYSA-N 0 0 180.203 1.543 10 0 ADAERN OCc1c(F)c[nH]c1Br 108365486 573775448 /nfs/dbraw/zinc/77/54/48/573775448.db2.gz SQONYTISJIZQJZ-UHFFFAOYSA-N 0 0 194.003 1.409 10 0 ADAERN C[C@@H](O)Cc1cccc2cnncc12 258126363 573775457 /nfs/dbraw/zinc/77/54/57/573775457.db2.gz QXXDAQXNHFZXPZ-MRVPVSSYSA-N 0 0 188.230 1.553 10 0 ADAERN Cc1cccc([C@@H]2C[C@@H](O)C(=O)O2)c1 238511300 573775459 /nfs/dbraw/zinc/77/54/59/573775459.db2.gz AISJUGBDBGGHIU-ZJUUUORDSA-N 0 0 192.214 1.344 10 0 ADAERN Cc1cc(CCO)c2c(c1C)OCO2 258126576 573775478 /nfs/dbraw/zinc/77/54/78/573775478.db2.gz RDOJXASCXMPZIM-UHFFFAOYSA-N 0 0 194.230 1.567 10 0 ADAERN CCCC1(CNC=CC(=O)OC)CC1 308435641 573775492 /nfs/dbraw/zinc/77/54/92/573775492.db2.gz MLJMBFKQVWYKGF-YWEYNIOJSA-N 0 0 197.278 1.843 10 0 ADAERN Cc1ccc([C@@H]2CC2(CO)CO)cc1 238510664 573775505 /nfs/dbraw/zinc/77/55/05/573775505.db2.gz KCHBZUKGMBFXKY-NSHDSACASA-N 0 0 192.258 1.453 10 0 ADAERN O=Cc1cnc(Cl)o1 108365799 573775506 /nfs/dbraw/zinc/77/55/06/573775506.db2.gz NYZWKLKKMCWCST-UHFFFAOYSA-N 0 0 131.518 1.141 10 0 ADAERN OCc1c(F)coc1Br 108365466 573775532 /nfs/dbraw/zinc/77/55/32/573775532.db2.gz YCBPFEZTIUGYFL-UHFFFAOYSA-N 0 0 194.987 1.674 10 0 ADAERN CC(=O)NCc1ccccc1NO 238102180 573775541 /nfs/dbraw/zinc/77/55/41/573775541.db2.gz SGWMTAKCFADGSY-UHFFFAOYSA-N 0 0 180.207 1.124 10 0 ADAERN C[C@@H](O)Cc1ccc(F)c(O)c1F 258126368 573775567 /nfs/dbraw/zinc/77/55/67/573775567.db2.gz QXZBQENMBKVYSS-RXMQYKEDSA-N 0 0 188.173 1.594 10 0 ADAERN Cc1ccc(N)c2c1C(=O)CC2 238510373 573775568 /nfs/dbraw/zinc/77/55/68/573775568.db2.gz UDPQNTLFBFJRHD-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN CNCc1nnc(C(F)F)s1 84118572 573775596 /nfs/dbraw/zinc/77/55/96/573775596.db2.gz SXAOLLQESKZRFU-UHFFFAOYSA-N 0 0 179.195 1.195 10 0 ADAERN Cc1ccc(N2C[C@H](O)C=N2)cc1 238511013 573775608 /nfs/dbraw/zinc/77/56/08/573775608.db2.gz JQGGNNLJDPIZDU-SNVBAGLBSA-N 0 0 176.219 1.162 10 0 ADAERN CC(=O)NCc1ccc(N=O)cc1 238101441 573775610 /nfs/dbraw/zinc/77/56/10/573775610.db2.gz NMUVIFCALNYIQT-UHFFFAOYSA-N 0 0 178.191 1.721 10 0 ADAERN C[C@]12CCCC[C@H]1CC(=O)NC2=O 238510952 573775641 /nfs/dbraw/zinc/77/56/41/573775641.db2.gz XCPJPRKCKKFGPW-XVKPBYJWSA-N 0 0 181.235 1.229 10 0 ADAERN CCOCC[C@H](NN)C1CCCC1 127122814 573775660 /nfs/dbraw/zinc/77/56/60/573775660.db2.gz SJMDKAACBPEDTL-JTQLQIEISA-N 0 0 186.299 1.435 10 0 ADAERN CC(=O)[C@]1(C)C[C@]1(C)Cl 238101592 573775664 /nfs/dbraw/zinc/77/56/64/573775664.db2.gz ZJULYTBRODYSGA-BQBZGAKWSA-N 0 0 146.617 1.983 10 0 ADAERN CCn1cc([C@H](N)C(F)(F)F)cn1 122605356 573775670 /nfs/dbraw/zinc/77/56/70/573775670.db2.gz VPQZVHBLKZKVOU-LURJTMIESA-N 0 0 193.172 1.465 10 0 ADAERN CONCc1cc(C)c(F)c(F)c1 258126494 573775671 /nfs/dbraw/zinc/77/56/71/573775671.db2.gz RBYTTXJTCDSOHY-UHFFFAOYSA-N 0 0 187.189 1.924 10 0 ADAERN CCOC(=O)CONC1CCCC1 308436337 573775692 /nfs/dbraw/zinc/77/56/92/573775692.db2.gz WQYUOECMUVKOQA-UHFFFAOYSA-N 0 0 187.239 1.013 10 0 ADAERN CCn1ccnc1-c1ncccc1N 122612068 573775711 /nfs/dbraw/zinc/77/57/11/573775711.db2.gz GRJSZNDBUHFFKS-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN C[C@@H](CC[C@H]1CCCCO1)NN 127152955 573775717 /nfs/dbraw/zinc/77/57/17/573775717.db2.gz MOFWRLMIPRGBLE-DTWKUNHWSA-N 0 0 172.272 1.188 10 0 ADAERN CC(=O)c1nc2cnccc2n1C 84148870 573781899 /nfs/dbraw/zinc/78/18/99/573781899.db2.gz GNKVSJGCFXDHRJ-UHFFFAOYSA-N 0 0 175.191 1.171 10 0 ADAERN CC[C@@H]1Oc2cc(OC)ccc2[C@H]1O 84150961 573781921 /nfs/dbraw/zinc/78/19/21/573781921.db2.gz UXCLCUWIHZMTFS-GXSJLCMTSA-N 0 0 194.230 1.900 10 0 ADAERN O=Cc1nc2cnccc2n1C1CC1 84148878 573781935 /nfs/dbraw/zinc/78/19/35/573781935.db2.gz OSLHYIPOXCCZBL-UHFFFAOYSA-N 0 0 187.202 1.579 10 0 ADAERN CC(C)(CO)C1CC=CC1 238111299 573781946 /nfs/dbraw/zinc/78/19/46/573781946.db2.gz TZZPPKZYKXETIW-UHFFFAOYSA-N 0 0 140.226 1.971 10 0 ADAERN C[C@H]1OC2=CC=CC=C[C@@]2(C)C1=O 238503095 573781949 /nfs/dbraw/zinc/78/19/49/573781949.db2.gz AFECLTGNMQEKQC-LDYMZIIASA-N 0 0 176.215 1.990 10 0 ADAERN CC[C@H]1Oc2ccccc2[C@H]1O 84150046 573781952 /nfs/dbraw/zinc/78/19/52/573781952.db2.gz WUJRLJWKRZDYAB-PSASIEDQSA-N 0 0 164.204 1.891 10 0 ADAERN Cc1ccc(C)c2c1OC[C@@H]2O 84150209 573781959 /nfs/dbraw/zinc/78/19/59/573781959.db2.gz WHDMHBZESYUDOT-QMMMGPOBSA-N 0 0 164.204 1.729 10 0 ADAERN C[C@H]1C[C@@H](O)ON1Cc1ccccc1 238503697 573781960 /nfs/dbraw/zinc/78/19/60/573781960.db2.gz YLQQTYLMIOBRFE-ONGXEEELSA-N 0 0 193.246 1.531 10 0 ADAERN Cc1c(N)c(=O)c2ccccc2n1C 238503715 573781969 /nfs/dbraw/zinc/78/19/69/573781969.db2.gz BSQAUBYDTUGENN-UHFFFAOYSA-N 0 0 188.230 1.429 10 0 ADAERN Cc1cc(N(C)CO)ccc1F 258937879 573781991 /nfs/dbraw/zinc/78/19/91/573781991.db2.gz PTLOFBBAMFCBMH-UHFFFAOYSA-N 0 0 169.199 1.520 10 0 ADAERN Cc1c[nH]c(-c2nccn2C)n1 122654137 573782016 /nfs/dbraw/zinc/78/20/16/573782016.db2.gz YFWXBODSJYGFEC-UHFFFAOYSA-N 0 0 162.196 1.119 10 0 ADAERN Cc1c(CO)cnc(C(F)F)c1N 238513833 573782025 /nfs/dbraw/zinc/78/20/25/573782025.db2.gz WANUWRPUNSPXFQ-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(=O)CNc1ccc[nH]1 258937912 573782026 /nfs/dbraw/zinc/78/20/26/573782026.db2.gz PUOCNAMLTNBTLJ-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN NN1CCC[C@@H](C(F)(F)F)C1 87100923 573782027 /nfs/dbraw/zinc/78/20/27/573782027.db2.gz DTQLBVFZQGXECP-RXMQYKEDSA-N 0 0 168.162 1.134 10 0 ADAERN C[C@H]1Oc2ccc(F)cc2[C@H]1O 84150086 573782028 /nfs/dbraw/zinc/78/20/28/573782028.db2.gz KWLZOPIRWUUIMY-ANLVUFKYSA-N 0 0 168.167 1.640 10 0 ADAERN Cc1ccc2c(c1)[C@@H](O)[C@@H](C)O2 84150028 573782035 /nfs/dbraw/zinc/78/20/35/573782035.db2.gz BDRQZXZRCDMMPZ-XCBNKYQSSA-N 0 0 164.204 1.809 10 0 ADAERN O[C@@H]1COc2c(F)ccc(F)c21 84150898 573782055 /nfs/dbraw/zinc/78/20/55/573782055.db2.gz QNBVXOBDGRJTIK-ZCFIWIBFSA-N 0 0 172.130 1.391 10 0 ADAERN CC(=O)Nc1cc2cnccc2cn1 238111772 573782059 /nfs/dbraw/zinc/78/20/59/573782059.db2.gz AILPCPRORDKJON-UHFFFAOYSA-N 0 0 187.202 1.588 10 0 ADAERN C[C@@H]1Oc2c(F)cc(F)cc2[C@H]1O 84150199 573782064 /nfs/dbraw/zinc/78/20/64/573782064.db2.gz SLKITLQLZDCQKG-NVNXEXLPSA-N 0 0 186.157 1.779 10 0 ADAERN C/C(=C\C(=O)[O-])C[NH2+][C@@H]1CC=CCC1 308432460 573782074 /nfs/dbraw/zinc/78/20/74/573782074.db2.gz GGIKJQGCVOVEHC-TTZKWOQHSA-N 0 0 195.262 1.716 10 0 ADAERN c1ccn2cc3c(c2c1)N3 100217310 573782081 /nfs/dbraw/zinc/78/20/81/573782081.db2.gz AIKMRTXZNROLLS-UHFFFAOYSA-N 0 0 130.150 1.996 10 0 ADAERN CCOc1cccc2c1O[C@H](C)[C@@H]2O 84150395 573782090 /nfs/dbraw/zinc/78/20/90/573782090.db2.gz JFCUDKYEUOSOBD-XCBNKYQSSA-N 0 0 194.230 1.900 10 0 ADAERN C[C@H]1C[C@@H](O)N(C)N1c1ccccc1 238503458 573782120 /nfs/dbraw/zinc/78/21/20/573782120.db2.gz FNOFPQBOQUJKNC-GXSJLCMTSA-N 0 0 192.262 1.450 10 0 ADAERN CCNc1nc2ccc(Cl)cn2n1 87101648 573782129 /nfs/dbraw/zinc/78/21/29/573782129.db2.gz CDLJMCVJWUKICP-UHFFFAOYSA-N 0 0 196.641 1.815 10 0 ADAERN C/C=C\CCNc1cncc(OC)n1 308739088 573782132 /nfs/dbraw/zinc/78/21/32/573782132.db2.gz NKKIUKJGIFFFOR-ARJAWSKDSA-N 0 0 193.250 1.863 10 0 ADAERN O[C@@H]1COc2cc3c(cc21)CCCC3 84150808 573782173 /nfs/dbraw/zinc/78/21/73/573782173.db2.gz PVOZHJWMDIEXAQ-LLVKDONJSA-N 0 0 190.242 1.991 10 0 ADAERN O=C1N[C@H](Cc2ccccc2O)CO1 108373270 573782177 /nfs/dbraw/zinc/78/21/77/573782177.db2.gz ZKXAGXVKIJHLCD-MRVPVSSYSA-N 0 0 193.202 1.043 10 0 ADAERN Cc1nc(C(F)F)cc(N)c1C=O 238503428 573782186 /nfs/dbraw/zinc/78/21/86/573782186.db2.gz CTNWEHNFLXKRMA-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CCc1cccc2c1OC[C@H]2O 84150675 573782187 /nfs/dbraw/zinc/78/21/87/573782187.db2.gz ODQMYJLATBIWKC-SECBINFHSA-N 0 0 164.204 1.675 10 0 ADAERN CCCc1noc([C@@H](C)N(C)C)n1 308431030 573782189 /nfs/dbraw/zinc/78/21/89/573782189.db2.gz TWHOYYMRGWKIIF-SSDOTTSWSA-N 0 0 183.255 1.645 10 0 ADAERN COc1ccc2c(c1)[C@H](O)[C@@H](C)O2 84150066 573782196 /nfs/dbraw/zinc/78/21/96/573782196.db2.gz PKOTUQPHSKRPJE-LHLIQPBNSA-N 0 0 180.203 1.510 10 0 ADAERN CC(C)(CO)C(C)(C)C[PH2]=O 238110904 573782202 /nfs/dbraw/zinc/78/22/02/573782202.db2.gz BGZVSCYWCKFETN-UHFFFAOYSA-N 0 0 178.212 1.787 10 0 ADAERN Cc1nc2cccc(N)c2cc1O 238503555 573782203 /nfs/dbraw/zinc/78/22/03/573782203.db2.gz NSJNBYQLGHIWBL-UHFFFAOYSA-N 0 0 174.203 1.831 10 0 ADAERN CC1=CN(C)C=CN1C 100226970 573782222 /nfs/dbraw/zinc/78/22/22/573782222.db2.gz SXCLJEUBBROISF-UHFFFAOYSA-N 0 0 124.187 1.196 10 0 ADAERN CC(C)n1c(C=O)nc2cnccc21 84148876 573782229 /nfs/dbraw/zinc/78/22/29/573782229.db2.gz AQOOVRJJKQCWTD-UHFFFAOYSA-N 0 0 189.218 1.825 10 0 ADAERN C[C@]12CCC(=O)NC=C1CCCC2=O 238503543 573782251 /nfs/dbraw/zinc/78/22/51/573782251.db2.gz VKMNJJVTQGRMFE-NSHDSACASA-N 0 0 193.246 1.540 10 0 ADAERN CC(=O)COc1cccccc1=O 238110918 573782252 /nfs/dbraw/zinc/78/22/52/573782252.db2.gz WVDUEXXWDCDQAD-UHFFFAOYSA-N 0 0 178.187 1.015 10 0 ADAERN CC[C@H](CC1CC1)N[C@H]1CCOC1=O 308739142 573782257 /nfs/dbraw/zinc/78/22/57/573782257.db2.gz NMAYSYCOKXLCMM-ZJUUUORDSA-N 0 0 197.278 1.470 10 0 ADAERN Cn1cc(C2CCC2)c(O)cc1=O 238503194 573782260 /nfs/dbraw/zinc/78/22/60/573782260.db2.gz ZXVGZEINGZDWRU-UHFFFAOYSA-N 0 0 179.219 1.358 10 0 ADAERN C1=CN2CCCN[C@@H]2c2ccccc21 238111410 573782268 /nfs/dbraw/zinc/78/22/68/573782268.db2.gz BXSOAEABPWYYPK-LBPRGKRZSA-N 0 0 186.258 1.965 10 0 ADAERN C[C@H]1CCC[C@H](N(C)N)C1 87100774 573782269 /nfs/dbraw/zinc/78/22/69/573782269.db2.gz CLOGUCOBHNICQN-YUMQZZPRSA-N 0 0 142.246 1.371 10 0 ADAERN S=C1CCC2=CCCN12 100229382 573782271 /nfs/dbraw/zinc/78/22/71/573782271.db2.gz KZKCGMOOBYRWEF-UHFFFAOYSA-N 0 0 139.223 1.697 10 0 ADAERN CC[C@]1(C)C[C@H]1C(=O)NCCOC 308437419 573782277 /nfs/dbraw/zinc/78/22/77/573782277.db2.gz XIUXDDMFLWZUJE-WCBMZHEXSA-N 0 0 185.267 1.185 10 0 ADAERN CC[C@@]1(C)C[C@@H]1C(=O)NCCOC 308437418 573782290 /nfs/dbraw/zinc/78/22/90/573782290.db2.gz XIUXDDMFLWZUJE-SCZZXKLOSA-N 0 0 185.267 1.185 10 0 ADAERN Cc1ccc2c(c1)[C@H](O)[C@@H](C)O2 84150027 573782292 /nfs/dbraw/zinc/78/22/92/573782292.db2.gz BDRQZXZRCDMMPZ-GMSGAONNSA-N 0 0 164.204 1.809 10 0 ADAERN Cc1cccc2c1O[C@H](C)[C@@H]2O 84150035 573782302 /nfs/dbraw/zinc/78/23/02/573782302.db2.gz RGMFZTOMISFFNQ-APPZFPTMSA-N 0 0 164.204 1.809 10 0 ADAERN CC(C)Nc1nc2ccc(F)cn2n1 87101498 573782309 /nfs/dbraw/zinc/78/23/09/573782309.db2.gz XLTFJMCDTOGISB-UHFFFAOYSA-N 0 0 194.213 1.689 10 0 ADAERN CC(=O)[C@@]12C=C[C@]3(OC3(C)C)[C@@H]1C2 238110618 573782320 /nfs/dbraw/zinc/78/23/20/573782320.db2.gz 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/nfs/dbraw/zinc/78/25/83/573782583.db2.gz UGEGKAGTLBXEPU-MWLCHTKSSA-N 0 0 194.230 1.900 10 0 ADAERN CCCn1c(C=O)nc2cccnc21 84149971 573782591 /nfs/dbraw/zinc/78/25/91/573782591.db2.gz LJAAUPKUGFTPGV-UHFFFAOYSA-N 0 0 189.218 1.654 10 0 ADAERN C[C@H]1OC2(CCCC2=O)O[C@@H]1C 238502722 573782636 /nfs/dbraw/zinc/78/26/36/573782636.db2.gz QQQBGCJYKQTQMD-RNFRBKRXSA-N 0 0 170.208 1.260 10 0 ADAERN CC(=O)Oc1c(C)ccc(C)c1O 238111363 573782650 /nfs/dbraw/zinc/78/26/50/573782650.db2.gz ZHSQXZHUWGXRFS-UHFFFAOYSA-N 0 0 180.203 1.934 10 0 ADAERN CC(=O)Oc1c(C)cc(C)cc1CO 238111128 573782655 /nfs/dbraw/zinc/78/26/55/573782655.db2.gz BTVKKOZNZMMOPE-UHFFFAOYSA-N 0 0 194.230 1.721 10 0 ADAERN C[C@](N)(CF)Nc1ccc(C=O)cc1 238503401 573782663 /nfs/dbraw/zinc/78/26/63/573782663.db2.gz QDNZQIPIBIOYGM-SNVBAGLBSA-N 0 0 196.225 1.555 10 0 ADAERN C[C@@H]1Oc2cc3c(cc2[C@@H]1O)CCC3 84150317 573782673 /nfs/dbraw/zinc/78/26/73/573782673.db2.gz XHEKBADCABVFPQ-JVXZTZIISA-N 0 0 190.242 1.990 10 0 ADAERN Cc1ncccc1-c1onc(N)c1C 87123849 573783898 /nfs/dbraw/zinc/78/38/98/573783898.db2.gz KNNSYNJNTAKBLT-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN C[C@]12CCC(=O)O[C@@H]1CCC[C@@H]2O 238503680 573784483 /nfs/dbraw/zinc/78/44/83/573784483.db2.gz URWKLZAHVSJYDT-QXFUBDJGSA-N 0 0 184.235 1.243 10 0 ADAERN CC(=O)[C@H]1C=C1C(C)C 238110935 573784487 /nfs/dbraw/zinc/78/44/87/573784487.db2.gz ORLDIBAXRPXERG-MRVPVSSYSA-N 0 0 124.183 1.788 10 0 ADAERN Cc1nc2cccc(F)n2c(=O)c1C 238503496 573784492 /nfs/dbraw/zinc/78/44/92/573784492.db2.gz HYBKIRJQUNJLQF-UHFFFAOYSA-N 0 0 192.193 1.450 10 0 ADAERN CCOc1ccc2nc(OC)[nH]c2n1 87117269 573784494 /nfs/dbraw/zinc/78/44/94/573784494.db2.gz WUBSIXNEVNJRGH-UHFFFAOYSA-N 0 0 193.206 1.365 10 0 ADAERN CC[C@H](C(=O)[O-])[C@@H]([NH2+]C)C1CCC1 259186901 573784505 /nfs/dbraw/zinc/78/45/05/573784505.db2.gz KDIZAWBVKXJNKY-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN CC(C)CC(=O)C=CN 238120265 573784506 /nfs/dbraw/zinc/78/45/06/573784506.db2.gz HHRGTJAYUUVHOA-UHFFFAOYSA-N 0 0 127.187 1.641 10 0 ADAERN CC(=O)COC=C(C)C 238110228 573784521 /nfs/dbraw/zinc/78/45/21/573784521.db2.gz FDBRZYGCHHHOMM-UHFFFAOYSA-N 0 0 128.171 1.516 10 0 ADAERN C[C@]12CCC(=O)C[C@H]1CC(=O)C2 238503039 573784525 /nfs/dbraw/zinc/78/45/25/573784525.db2.gz OLGZGISSUCAZNI-OIBJUYFYSA-N 0 0 166.220 1.725 10 0 ADAERN C[C@@]1(c2ccccn2)NCCS1 238504238 573784532 /nfs/dbraw/zinc/78/45/32/573784532.db2.gz VNABFZNDBJZNIG-SECBINFHSA-N 0 0 180.276 1.591 10 0 ADAERN CC(=O)[C@]12CC[C@H]1[C@@H]1C=C[C@@]2(C)O1 238109299 573783928 /nfs/dbraw/zinc/78/39/28/573783928.db2.gz JGXKWQDNKUNRDQ-UKKRHICBSA-N 0 0 178.231 1.699 10 0 ADAERN OCC[C@H]1CCc2cc(O)ccc2C1 108373157 573783937 /nfs/dbraw/zinc/78/39/37/573783937.db2.gz NUXAQIDQUXNTEG-SECBINFHSA-N 0 0 192.258 1.880 10 0 ADAERN CCCc1noc([C@H](C)N(C)C)n1 308431032 573783959 /nfs/dbraw/zinc/78/39/59/573783959.db2.gz TWHOYYMRGWKIIF-ZETCQYMHSA-N 0 0 183.255 1.645 10 0 ADAERN CC(=O)[C@]1(C)O[C@H]2[C@@H]1[C@H]1C=C[C@H]12 238112263 573783976 /nfs/dbraw/zinc/78/39/76/573783976.db2.gz VSFIDDWDKHZKOI-LRPJSKTQSA-N 0 0 164.204 1.165 10 0 ADAERN CC(=O)CS[C@H]1CCCC1=O 238112018 573783998 /nfs/dbraw/zinc/78/39/98/573783998.db2.gz GXSWJYAZSVACNV-QMMMGPOBSA-N 0 0 172.249 1.430 10 0 ADAERN C/C=C/CCNc1cncc(OC)n1 308739090 573784004 /nfs/dbraw/zinc/78/40/04/573784004.db2.gz NKKIUKJGIFFFOR-ONEGZZNKSA-N 0 0 193.250 1.863 10 0 ADAERN Cc1ncccc1-c1nc(N)ns1 87123788 573784018 /nfs/dbraw/zinc/78/40/18/573784018.db2.gz RUIQRIXQBYWXGN-UHFFFAOYSA-N 0 0 192.247 1.491 10 0 ADAERN Cc1cc2c(N)n[nH]c2s1 238502902 573784029 /nfs/dbraw/zinc/78/40/29/573784029.db2.gz SHLOHCKRCHDBOF-UHFFFAOYSA-N 0 0 153.210 1.515 10 0 ADAERN CCOc1nc([C@@H]2CCCCN2)no1 87117328 573784033 /nfs/dbraw/zinc/78/40/33/573784033.db2.gz CPVZAAQCCNKDAF-ZETCQYMHSA-N 0 0 197.238 1.283 10 0 ADAERN C[C@]1(c2ccccc2)CN=NC(=O)N1 238502686 573784036 /nfs/dbraw/zinc/78/40/36/573784036.db2.gz CXTRBBIVYWLTDT-SNVBAGLBSA-N 0 0 189.218 1.200 10 0 ADAERN CC(=O)c1nnc2c(n1)CCCCC2 257877260 573784076 /nfs/dbraw/zinc/78/40/76/573784076.db2.gz UVGDPXYURHGHTJ-UHFFFAOYSA-N 0 0 191.234 1.343 10 0 ADAERN O=C1N[C@@H](Cc2ccccc2O)CO1 108373272 573784078 /nfs/dbraw/zinc/78/40/78/573784078.db2.gz ZKXAGXVKIJHLCD-QMMMGPOBSA-N 0 0 193.202 1.043 10 0 ADAERN CC(=O)COc1ccc(C)c(N)c1 238110675 573784089 /nfs/dbraw/zinc/78/40/89/573784089.db2.gz KUYDJHRLPFHPJY-UHFFFAOYSA-N 0 0 179.219 1.545 10 0 ADAERN CO/C=C/CNC(=O)c1ccccc1 308431082 573784121 /nfs/dbraw/zinc/78/41/21/573784121.db2.gz XTWWNYPZKJAZBV-WEVVVXLNSA-N 0 0 191.230 1.577 10 0 ADAERN C/C=C\CCNc1nnc(C)c(C)n1 308432033 573784131 /nfs/dbraw/zinc/78/41/31/573784131.db2.gz FOXLHIBFWDOLEY-PLNGDYQASA-N 0 0 192.266 1.867 10 0 ADAERN CC[C@@](C)(CO)CNc1nnc(C)o1 308739500 573784136 /nfs/dbraw/zinc/78/41/36/573784136.db2.gz NOUDQPHOXWTFLV-SECBINFHSA-N 0 0 199.254 1.199 10 0 ADAERN COC[S@](=O)c1cccc(F)c1 87114711 573784149 /nfs/dbraw/zinc/78/41/49/573784149.db2.gz LDYUGVHMBWJRPG-GFCCVEGCSA-N 0 0 188.223 1.537 10 0 ADAERN OCC(F)(F)c1ccccc1O 257877781 573784181 /nfs/dbraw/zinc/78/41/81/573784181.db2.gz ZRZXDZANGWKLPO-UHFFFAOYSA-N 0 0 174.146 1.476 10 0 ADAERN COC[C@@H]1CCOc2ccc(N)cc21 257877292 573784195 /nfs/dbraw/zinc/78/41/95/573784195.db2.gz UWNBPEZCAHGDIU-QMMMGPOBSA-N 0 0 193.246 1.781 10 0 ADAERN C=C=CCC(C)(C)CO 238112200 573784196 /nfs/dbraw/zinc/78/41/96/573784196.db2.gz XJQBUPXOUHCIME-UHFFFAOYSA-N 0 0 126.199 1.736 10 0 ADAERN CN(CO)c1ccc(F)cc1F 258947995 573784202 /nfs/dbraw/zinc/78/42/02/573784202.db2.gz RCVNEJVTKVSWKV-UHFFFAOYSA-N 0 0 173.162 1.351 10 0 ADAERN C[C@@]1(c2ccccc2O)CC[C@H](O)O1 238504097 573784206 /nfs/dbraw/zinc/78/42/06/573784206.db2.gz AUUWLTSKDMIDBT-MNOVXSKESA-N 0 0 194.230 1.736 10 0 ADAERN c1cn2ncc3c(c2n1)NCCC3 238111936 573784210 /nfs/dbraw/zinc/78/42/10/573784210.db2.gz XQHRARNAEBHTTI-UHFFFAOYSA-N 0 0 174.207 1.087 10 0 ADAERN CCCCCC[C@@]1(C)NCC(=O)N1C 308738067 573784218 /nfs/dbraw/zinc/78/42/18/573784218.db2.gz MUANAXVYFXZUNI-NSHDSACASA-N 0 0 198.310 1.735 10 0 ADAERN C[C@]12CCC(=O)C[C@@H]1COC2 238502749 573784222 /nfs/dbraw/zinc/78/42/22/573784222.db2.gz SJEPLNIZHYZVMU-VXNVDRBHSA-N 0 0 154.209 1.392 10 0 ADAERN CO[C@@H](N)c1cc(F)ccc1F 259186656 573784223 /nfs/dbraw/zinc/78/42/23/573784223.db2.gz CXOCFGGSMSOBQF-MRVPVSSYSA-N 0 0 173.162 1.569 10 0 ADAERN Cn1ccnc1-c1ncc(C=O)s1 122653822 573784242 /nfs/dbraw/zinc/78/42/42/573784242.db2.gz WSTMAMDEFGLJNC-UHFFFAOYSA-N 0 0 193.231 1.356 10 0 ADAERN Cc1cc2c(N)[nH]c(=S)nc2[nH]1 238503018 573784245 /nfs/dbraw/zinc/78/42/45/573784245.db2.gz RSCKXVMQNNUKDC-UHFFFAOYSA-N 0 0 180.236 1.137 10 0 ADAERN COc1nc(-c2cccc(O)c2)no1 87117065 573784247 /nfs/dbraw/zinc/78/42/47/573784247.db2.gz UTFADABYDICGEH-UHFFFAOYSA-N 0 0 192.174 1.451 10 0 ADAERN CC(=O)Oc1c[nH]c2cccnc12 238112344 573784254 /nfs/dbraw/zinc/78/42/54/573784254.db2.gz ILEFZBMZKWJIAF-UHFFFAOYSA-N 0 0 176.175 1.488 10 0 ADAERN Cc1csc([C@@H]2CNC(=O)C2)c1 238503725 573784256 /nfs/dbraw/zinc/78/42/56/573784256.db2.gz FHJXZHCBNYUJDV-ZETCQYMHSA-N 0 0 181.260 1.660 10 0 ADAERN CC(C)=C(C)CC[C@@H](O)CO 238111231 573784261 /nfs/dbraw/zinc/78/42/61/573784261.db2.gz NGPQZEVXACPEPM-SECBINFHSA-N 0 0 158.241 1.476 10 0 ADAERN CC(C)(CO)[C@@H]1CCCC(=O)C1 238120258 573784269 /nfs/dbraw/zinc/78/42/69/573784269.db2.gz YLVQEMRTYCLHHY-MRVPVSSYSA-N 0 0 170.252 1.764 10 0 ADAERN Cc1cc(=S)c(N)c(Cl)[nH]1 238503806 573784272 /nfs/dbraw/zinc/78/42/72/573784272.db2.gz RORXGGDQNUEBNP-UHFFFAOYSA-N 0 0 174.656 1.914 10 0 ADAERN CC(=O)Cc1cc2c(cc1F)OCO2 108374312 573784298 /nfs/dbraw/zinc/78/42/98/573784298.db2.gz YKTJSTAAEWBWTD-UHFFFAOYSA-N 0 0 196.177 1.686 10 0 ADAERN CC(C)=C(Br)C(N)=O 238109216 573784302 /nfs/dbraw/zinc/78/43/02/573784302.db2.gz HLEZWWLIKPMVIL-UHFFFAOYSA-N 0 0 178.029 1.161 10 0 ADAERN CN1C(=O)OC[C@H]1c1ccccc1N 108372970 573784303 /nfs/dbraw/zinc/78/43/03/573784303.db2.gz DVCNRWGADKIHTF-VIFPVBQESA-N 0 0 192.218 1.392 10 0 ADAERN COc1ccncc1N[C@@H](C)CCO 308739948 573784309 /nfs/dbraw/zinc/78/43/09/573784309.db2.gz NYEMKCIUUJTJTJ-QMMMGPOBSA-N 0 0 196.250 1.273 10 0 ADAERN CC(=O)[C@@H]1CC[C@H](O)C[C@@H]1C 238502981 573784341 /nfs/dbraw/zinc/78/43/41/573784341.db2.gz QMLUDKNVCVTBTQ-CNUIFLNQSA-N 0 0 156.225 1.373 10 0 ADAERN COC1(OC)[C@H]2CC[C@@H]1CC2=O 100241622 573784349 /nfs/dbraw/zinc/78/43/49/573784349.db2.gz VMSKXWVLWOWLIS-RQJHMYQMSA-N 0 0 170.208 1.457 10 0 ADAERN CC[C@H](C)ONC(=O)CCC(F)F 308436965 573784355 /nfs/dbraw/zinc/78/43/55/573784355.db2.gz XBQASYCHYFMKKF-LURJTMIESA-N 0 0 195.209 1.878 10 0 ADAERN Cc1cnc(C(F)F)c(C[NH3+])c1F 238502861 573784363 /nfs/dbraw/zinc/78/43/63/573784363.db2.gz JPUZBIMCDGKHDD-UHFFFAOYSA-N 0 0 190.168 1.925 10 0 ADAERN CC(=O)[C@@]12CCC(=O)C[C@@H]1CC2 238109181 573784401 /nfs/dbraw/zinc/78/44/01/573784401.db2.gz NUOPAUGUYUPNLF-WCBMZHEXSA-N 0 0 166.220 1.725 10 0 ADAERN CCOc1nc([C@H]2CCCCN2)no1 87117330 573784406 /nfs/dbraw/zinc/78/44/06/573784406.db2.gz CPVZAAQCCNKDAF-SSDOTTSWSA-N 0 0 197.238 1.283 10 0 ADAERN C[C@@]1(c2nccs2)CC[NH2+]1 84178912 573784415 /nfs/dbraw/zinc/78/44/15/573784415.db2.gz JVPNHXFWAUUIIJ-ZETCQYMHSA-N 0 0 154.238 1.352 10 0 ADAERN CC(=O)CSC1=NCCC1 238111620 573784432 /nfs/dbraw/zinc/78/44/32/573784432.db2.gz KHDPOJNVLXAWFN-UHFFFAOYSA-N 0 0 157.238 1.501 10 0 ADAERN CN[C@H](NN)c1c(C)cc(C)cc1C 259186976 573784441 /nfs/dbraw/zinc/78/44/41/573784441.db2.gz KEOMVIBILWTLPH-LLVKDONJSA-N 0 0 193.294 1.293 10 0 ADAERN Cc1ncccc1[C@]1(O)C[C@H]1C 87123634 573787116 /nfs/dbraw/zinc/78/71/16/573787116.db2.gz PNXSWLUHNWEUBT-XCBNKYQSSA-N 0 0 163.220 1.617 10 0 ADAERN CO[C@@H]1CCC[C@H](OC[C@H](C)O)C1 131193758 573787119 /nfs/dbraw/zinc/78/71/19/573787119.db2.gz QYPDBDAWPNSNPQ-AEJSXWLSSA-N 0 0 188.267 1.341 10 0 ADAERN CCOc1nc2c(N)cccc2[nH]1 87117047 573787121 /nfs/dbraw/zinc/78/71/21/573787121.db2.gz DYTHPFYKEKMXDN-UHFFFAOYSA-N 0 0 177.207 1.544 10 0 ADAERN Cc1cccc(-c2c(N)[nH][nH]c2=O)c1 258942448 573787125 /nfs/dbraw/zinc/78/71/25/573787125.db2.gz YFDNVMBNWHQDIR-UHFFFAOYSA-N 0 0 189.218 1.673 10 0 ADAERN CC[C@@H](C)CN(C=O)CC 79274702 573787139 /nfs/dbraw/zinc/78/71/39/573787139.db2.gz NUYQBKHYMSITQW-MRVPVSSYSA-N 0 0 143.230 1.511 10 0 ADAERN C[C@]12CCC[C@H]1CC(=O)CC2=O 238518219 573787142 /nfs/dbraw/zinc/78/71/42/573787142.db2.gz YDQSMODUSIYQCC-XVKPBYJWSA-N 0 0 166.220 1.725 10 0 ADAERN CCc1cc(C)nn1C 79275171 573787157 /nfs/dbraw/zinc/78/71/57/573787157.db2.gz OHHSDDCBNHVYNX-UHFFFAOYSA-N 0 0 124.187 1.291 10 0 ADAERN COc1cccc(CN(C)CO)c1 258943770 573787164 /nfs/dbraw/zinc/78/71/64/573787164.db2.gz QMGRSDZABJULMH-UHFFFAOYSA-N 0 0 181.235 1.077 10 0 ADAERN C[C@]12CCC(=O)[C@H]1CCC[C@@H]2O 238504532 573787166 /nfs/dbraw/zinc/78/71/66/573787166.db2.gz JVELXODMIFZQDP-JEZHCXPESA-N 0 0 168.236 1.517 10 0 ADAERN Cc1nc(-c2cccnc2C)n[nH]1 87123139 573787219 /nfs/dbraw/zinc/78/72/19/573787219.db2.gz PAVRWEKQNFUPDN-UHFFFAOYSA-N 0 0 174.207 1.484 10 0 ADAERN Cc1cc2c([nH]1)C(=O)CCC2=O 100284890 573787234 /nfs/dbraw/zinc/78/72/34/573787234.db2.gz WCADIVMVYCXMOS-UHFFFAOYSA-N 0 0 163.176 1.482 10 0 ADAERN Cc1nccc(/C=C(\CO)C(C)C)n1 125098877 573787239 /nfs/dbraw/zinc/78/72/39/573787239.db2.gz DLTTYMQVFBEJJO-UXBLZVDNSA-N 0 0 192.262 1.817 10 0 ADAERN CC(C)=C(CO)C(C)(C)O 238114982 573787240 /nfs/dbraw/zinc/78/72/40/573787240.db2.gz NFWKWJYUPRFKDX-UHFFFAOYSA-N 0 0 144.214 1.086 10 0 ADAERN C[C@]12C[C@@]1(C)CCC[C@@H]2O 238517417 573787247 /nfs/dbraw/zinc/78/72/47/573787247.db2.gz SXHLXJHBQJVVSR-DJLDLDEBSA-N 0 0 140.226 1.948 10 0 ADAERN OC1(c2ccccc2Cl)COC1 258823719 573787249 /nfs/dbraw/zinc/78/72/49/573787249.db2.gz YZERDUONYSNQJT-UHFFFAOYSA-N 0 0 184.622 1.558 10 0 ADAERN CC/C=C(\C)C(=O)NC[C@@H](C)CO 213027206 573787257 /nfs/dbraw/zinc/78/72/57/573787257.db2.gz UKQONHAQKGDDBX-CBVZUMJXSA-N 0 0 185.267 1.087 10 0 ADAERN C[C@@H](O)c1cc2ccc(O)cc2n1C 257874049 573787261 /nfs/dbraw/zinc/78/72/61/573787261.db2.gz ISXAYHUEIJYZBP-SSDOTTSWSA-N 0 0 191.230 1.937 10 0 ADAERN COc1n[nH]c(-c2cccs2)n1 87117125 573787268 /nfs/dbraw/zinc/78/72/68/573787268.db2.gz CFJSNUPRLGFAQO-UHFFFAOYSA-N 0 0 181.220 1.542 10 0 ADAERN Cc1cc(C(F)F)nc(F)c1CO 238518005 573787280 /nfs/dbraw/zinc/78/72/80/573787280.db2.gz NRYVVAUHOHHLHB-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CCOc1n[nH]c(C2CCCC2)n1 87117103 573787294 /nfs/dbraw/zinc/78/72/94/573787294.db2.gz OEVBYSABADYWTI-UHFFFAOYSA-N 0 0 181.239 1.861 10 0 ADAERN O=C1C[C@H](c2ccc(Cl)cn2)CN1 238517763 573787311 /nfs/dbraw/zinc/78/73/11/573787311.db2.gz MHMVSXDUONNUKT-LURJTMIESA-N 0 0 196.637 1.339 10 0 ADAERN CCC[C@@H]([NH2+]C)C(C)(C)CC(=O)[O-] 259568417 573787312 /nfs/dbraw/zinc/78/73/12/573787312.db2.gz WODUSCGJJAADPT-MRVPVSSYSA-N 0 0 187.283 1.875 10 0 ADAERN O=C1C[C@H](c2ccc(Cl)nc2)CN1 238517741 573787317 /nfs/dbraw/zinc/78/73/17/573787317.db2.gz TZAQLVHGZTXZGX-ZETCQYMHSA-N 0 0 196.637 1.339 10 0 ADAERN CC(C)(C[C@H]([NH3+])C(C)(C)C)C(=O)[O-] 259185272 573787322 /nfs/dbraw/zinc/78/73/22/573787322.db2.gz FKXDYGYPJVHHAO-ZETCQYMHSA-N 0 0 187.283 1.861 10 0 ADAERN O=C1NC[C@H]1c1ccc(Cl)cc1 238517911 573787324 /nfs/dbraw/zinc/78/73/24/573787324.db2.gz KLBYPGMEGGANAR-QMMMGPOBSA-N 0 0 181.622 1.553 10 0 ADAERN CC(C)(C)Nc1cnncn1 238113940 573787332 /nfs/dbraw/zinc/78/73/32/573787332.db2.gz MILSMXYARXUOCF-UHFFFAOYSA-N 0 0 152.201 1.082 10 0 ADAERN CC(C)(C)Nc1nc2ncccn2n1 238114811 573787338 /nfs/dbraw/zinc/78/73/38/573787338.db2.gz YODCXJLIPWVQQQ-UHFFFAOYSA-N 0 0 191.238 1.335 10 0 ADAERN CCc1nc(-c2cccnc2C)n[nH]1 87123143 573787349 /nfs/dbraw/zinc/78/73/49/573787349.db2.gz DJLWMRPJUFAZKU-UHFFFAOYSA-N 0 0 188.234 1.738 10 0 ADAERN Cc1ncccc1-c1cc(N)no1 87123851 573787354 /nfs/dbraw/zinc/78/73/54/573787354.db2.gz WMBQXOVFZQMVGZ-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN CC(C)(C)Nc1cnsn1 238113989 573787360 /nfs/dbraw/zinc/78/73/60/573787360.db2.gz HYGYCTRFPRHMHH-UHFFFAOYSA-N 0 0 157.242 1.749 10 0 ADAERN COc1n[nH]c(C2CCCCC2)n1 87117116 573787366 /nfs/dbraw/zinc/78/73/66/573787366.db2.gz QQBHNMWFGJJMPA-UHFFFAOYSA-N 0 0 181.239 1.861 10 0 ADAERN COCCCC[C@H]1CCC[C@@H]1O 131097716 573787372 /nfs/dbraw/zinc/78/73/72/573787372.db2.gz WBAPOHSSADSIDA-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)(C)/C=C(/F)CO 238114567 573787381 /nfs/dbraw/zinc/78/73/81/573787381.db2.gz ADGQDKNBQPABRS-GQCTYLIASA-N 0 0 132.178 1.878 10 0 ADAERN CCC(=O)N1CC(=O)CCC1(C)C 259187469 573787383 /nfs/dbraw/zinc/78/73/83/573787383.db2.gz PAJPGLPRUUZLIP-UHFFFAOYSA-N 0 0 183.251 1.367 10 0 ADAERN C[C@@]12CCC[C@@H](C1=O)[C@H](O)C2 238517928 573787400 /nfs/dbraw/zinc/78/74/00/573787400.db2.gz JUHXMYUFAOFNQA-BHNWBGBOSA-N 0 0 154.209 1.127 10 0 ADAERN C[C@@H]1C(=O)N(C)c2c(O)cccc21 100285438 573787450 /nfs/dbraw/zinc/78/74/50/573787450.db2.gz IXIDZFNSPOWDIF-LURJTMIESA-N 0 0 177.203 1.472 10 0 ADAERN C[C@@H]1CCCC[C@H]1[NH2+]C/C=C\C(=O)[O-] 308434516 573787479 /nfs/dbraw/zinc/78/74/79/573787479.db2.gz IHGCKXPICSSUSF-UFUMDNBCSA-N 0 0 197.278 1.796 10 0 ADAERN C/C(=C/c1ccnc(C)n1)CO 125099914 573787480 /nfs/dbraw/zinc/78/74/80/573787480.db2.gz CFRZWBRASRLMIR-ALCCZGGFSA-N 0 0 164.208 1.181 10 0 ADAERN CC(C)(C)Nc1cncc(O)c1 238113894 573787482 /nfs/dbraw/zinc/78/74/82/573787482.db2.gz NCOJAAKUHPNXRQ-UHFFFAOYSA-N 0 0 166.224 1.998 10 0 ADAERN COc1ccc(N[C@H](C)[C@H](C)O)cn1 87125985 573787484 /nfs/dbraw/zinc/78/74/84/573787484.db2.gz MQEAWSXMFVDCAG-SFYZADRCSA-N 0 0 196.250 1.271 10 0 ADAERN Cc1ccc2c(C)[nH]nc2c1O 238517383 573787501 /nfs/dbraw/zinc/78/75/01/573787501.db2.gz ASKTVUOZCHABKE-UHFFFAOYSA-N 0 0 162.192 1.885 10 0 ADAERN COc1n[nH]c(C2CCCC2)n1 87117107 573787523 /nfs/dbraw/zinc/78/75/23/573787523.db2.gz RAYWJZNOKFHIMS-UHFFFAOYSA-N 0 0 167.212 1.471 10 0 ADAERN COC(=O)C/C=C\[C@H]1CCOC1 258130243 573787524 /nfs/dbraw/zinc/78/75/24/573787524.db2.gz IZIBVITUBXNKMQ-KZUAUGPASA-N 0 0 170.208 1.142 10 0 ADAERN CC(=O)C[C@@H]1N=C(C)[C@@H](C)S1 238517255 573787528 /nfs/dbraw/zinc/78/75/28/573787528.db2.gz VATABQGMNDIEON-HTQZYQBOSA-N 0 0 171.265 1.888 10 0 ADAERN Cc1[nH]c(C(F)F)cc(=O)c1N 238504487 573787536 /nfs/dbraw/zinc/78/75/36/573787536.db2.gz KGAGBLRUEAVPLQ-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC[C@@H](C(=O)OC)N(C)CCCF 308433529 573787578 /nfs/dbraw/zinc/78/75/78/573787578.db2.gz UZFJWRIDFAXPGX-QMMMGPOBSA-N 0 0 191.246 1.229 10 0 ADAERN c1cc2c(c3c1OCCO3)OCCO2 238113194 573787594 /nfs/dbraw/zinc/78/75/94/573787594.db2.gz PYUNRUKSDNVRIN-UHFFFAOYSA-N 0 0 194.186 1.229 10 0 ADAERN CC(C)(C)[Si](C)(C)[C@@H]([NH3+])C(=O)[O-] 238113973 573787604 /nfs/dbraw/zinc/78/76/04/573787604.db2.gz YHYCLIBYCWFBCU-ZCFIWIBFSA-N 0 0 189.331 1.446 10 0 ADAERN Cc1ccsc1[C@@H]([NH3+])[C@H](C)C(=O)[O-] 259568464 573787621 /nfs/dbraw/zinc/78/76/21/573787621.db2.gz YIWSZDLNAFKXKN-BQBZGAKWSA-N 0 0 199.275 1.777 10 0 ADAERN CC(=O)Oc1ccc(C)cc1C(N)=O 238114714 573787643 /nfs/dbraw/zinc/78/76/43/573787643.db2.gz CRLPKJJTHXJAGB-UHFFFAOYSA-N 0 0 193.202 1.019 10 0 ADAERN C[C@H](CCCc1cccs1)NN 127203258 573787645 /nfs/dbraw/zinc/78/76/45/573787645.db2.gz KCPZNAZHNRRPBW-MRVPVSSYSA-N 0 0 184.308 1.923 10 0 ADAERN CNC(=O)Nc1ccc(N)cc1Cl 125104249 573787674 /nfs/dbraw/zinc/78/76/74/573787674.db2.gz FETBDISQRBDMBD-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN Cc1ccc2c(c1)C(=O)C[C@@H]2O 238504789 573787693 /nfs/dbraw/zinc/78/76/93/573787693.db2.gz LPEXVOBQIWIDOZ-VIFPVBQESA-N 0 0 162.188 1.615 10 0 ADAERN CC(C)(C)OCc1cc(=O)[nH]c(N)n1 238114412 573787706 /nfs/dbraw/zinc/78/77/06/573787706.db2.gz OBYZUAAVOXMJEH-UHFFFAOYSA-N 0 0 197.238 1.080 10 0 ADAERN CC/C=C(/N)SC(C)=O 100275106 573787709 /nfs/dbraw/zinc/78/77/09/573787709.db2.gz WQQKJBQSNKPGEW-XQRVVYSFSA-N 0 0 145.227 1.476 10 0 ADAERN CC(C)(C)[Si](C)(C)[C@@H]1CNC1=O 238114072 573787721 /nfs/dbraw/zinc/78/77/21/573787721.db2.gz LIXFSROTJWPKQW-SSDOTTSWSA-N 0 0 185.343 1.995 10 0 ADAERN C[C@]12CCC[C@H](O)[C@@H]1CCC[C@@H]2O 238517332 573787732 /nfs/dbraw/zinc/78/77/32/573787732.db2.gz RSNIDZKEQPYYAK-NAKRPEOUSA-N 0 0 184.279 1.699 10 0 ADAERN CCOc1nc2nc(NC)ccc2[nH]1 87117283 573787752 /nfs/dbraw/zinc/78/77/52/573787752.db2.gz VGUMEMKLDUXPRX-UHFFFAOYSA-N 0 0 192.222 1.398 10 0 ADAERN CO[C@@H](C)CNC(=O)[C@@H]1CC1(C)C 308434669 573787780 /nfs/dbraw/zinc/78/77/80/573787780.db2.gz VKANGEYHWYDGSY-YUMQZZPRSA-N 0 0 185.267 1.184 10 0 ADAERN COCCCC[C@@H](C)[C@@H](C)O 131100276 573787783 /nfs/dbraw/zinc/78/77/83/573787783.db2.gz WBBHLDHAAYUPMF-RKDXNWHRSA-N 0 0 160.257 1.820 10 0 ADAERN CCOc1nc2cc[nH]cc-2n1 87117205 573787787 /nfs/dbraw/zinc/78/77/87/573787787.db2.gz SOCGXEDXZLBPHS-UHFFFAOYSA-N 0 0 163.180 1.357 10 0 ADAERN C[C@@]12CC=CNC(=O)[C@@H]1CCC2 238518089 573787798 /nfs/dbraw/zinc/78/77/98/573787798.db2.gz PNYXEDXJWZHFNJ-WCBMZHEXSA-N 0 0 165.236 1.826 10 0 ADAERN CC(=O)N[C@@H]1C=CCc2ccccc21 238113946 573787801 /nfs/dbraw/zinc/78/78/01/573787801.db2.gz JMAGXMWNDAWXRC-GFCCVEGCSA-N 0 0 187.242 1.976 10 0 ADAERN Cc1ccc(NC(=O)NC(N)=O)cc1 238518043 573787818 /nfs/dbraw/zinc/78/78/18/573787818.db2.gz RAAQRQYNVNTJQW-UHFFFAOYSA-N 0 0 193.206 1.195 10 0 ADAERN COCCCC[C@@H]1CCC[C@@H]1O 131097517 573787819 /nfs/dbraw/zinc/78/78/19/573787819.db2.gz WBAPOHSSADSIDA-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CC(=O)Oc1cc(C)c(N)c(C=O)c1 238113050 573787825 /nfs/dbraw/zinc/78/78/25/573787825.db2.gz YRDGSOPRXBEKNX-UHFFFAOYSA-N 0 0 193.202 1.315 10 0 ADAERN CC(C)(C)[Si](C)(C)[C@H]1CNC1=O 238114309 573787830 /nfs/dbraw/zinc/78/78/30/573787830.db2.gz LIXFSROTJWPKQW-ZETCQYMHSA-N 0 0 185.343 1.995 10 0 ADAERN COCCCCC[C@H](O)COC 131105271 573787836 /nfs/dbraw/zinc/78/78/36/573787836.db2.gz KPDNFUWJUDSJQY-VIFPVBQESA-N 0 0 176.256 1.201 10 0 ADAERN CC(C)(C)[C@@H]1CC(=O)[C@@H]2O[C@@H]2C1 238103963 573794836 /nfs/dbraw/zinc/79/48/36/573794836.db2.gz RMLIJKASTMGJBN-VDAHYXPESA-N 0 0 168.236 1.779 10 0 ADAERN COc1cc(C=O)cc2n[nH]cc12 259569547 573794137 /nfs/dbraw/zinc/79/41/37/573794137.db2.gz WGKWAFWPDGJLFK-UHFFFAOYSA-N 0 0 176.175 1.384 10 0 ADAERN CCN1CC(=O)CCC1(C)C 258944724 573794155 /nfs/dbraw/zinc/79/41/55/573794155.db2.gz YMKLRZWIBJJFQU-UHFFFAOYSA-N 0 0 155.241 1.450 10 0 ADAERN CNC(=O)Nc1ccc(N)c(F)c1 125127262 573794158 /nfs/dbraw/zinc/79/41/58/573794158.db2.gz OAUDLDZEQCSBGJ-UHFFFAOYSA-N 0 0 183.186 1.159 10 0 ADAERN CNC(=O)Nc1c(N)cccc1F 125126330 573794192 /nfs/dbraw/zinc/79/41/92/573794192.db2.gz NDIZCRFGUXFOTC-UHFFFAOYSA-N 0 0 183.186 1.159 10 0 ADAERN Cc1cc([C@H](O)c2ccccc2)n[nH]1 238521018 573794238 /nfs/dbraw/zinc/79/42/38/573794238.db2.gz BTVPMTVWUSRSPL-LLVKDONJSA-N 0 0 188.230 1.800 10 0 ADAERN NN[C@H](N)c1cccc2ccccc12 259188902 573794242 /nfs/dbraw/zinc/79/42/42/573794242.db2.gz CZBKCGOSFGRKCW-NSHDSACASA-N 0 0 187.246 1.260 10 0 ADAERN CC(=O)CCNc1ccc[nH]1 258946240 573794254 /nfs/dbraw/zinc/79/42/54/573794254.db2.gz QWHSAMGYOOKLCR-UHFFFAOYSA-N 0 0 152.197 1.406 10 0 ADAERN CNCC(=O)OC1CCCCCC1 40954528 573794275 /nfs/dbraw/zinc/79/42/75/573794275.db2.gz CEZNGLQVMQLFPX-UHFFFAOYSA-N 0 0 185.267 1.472 10 0 ADAERN Cc1cnc([C@@H]2CN(C)CCN2)s1 76187822 573794287 /nfs/dbraw/zinc/79/42/87/573794287.db2.gz NFUXKRUFMWHVTE-QMMMGPOBSA-N 0 0 197.307 1.028 10 0 ADAERN CC[C@@H](NN)[C@](C)(CC)OC 125122775 573794299 /nfs/dbraw/zinc/79/42/99/573794299.db2.gz OHNXQPOPPVZUJW-SFYZADRCSA-N 0 0 160.261 1.043 10 0 ADAERN Cc1cc(NCCCCO)nnc1C 308730149 573794301 /nfs/dbraw/zinc/79/43/01/573794301.db2.gz IZSQLRDQPAAZFR-UHFFFAOYSA-N 0 0 195.266 1.278 10 0 ADAERN C[C@H](Sc1ccncn1)[C@@H](C)O 87140221 573794305 /nfs/dbraw/zinc/79/43/05/573794305.db2.gz MZLNPDXUIWMOIR-RQJHMYQMSA-N 0 0 184.264 1.338 10 0 ADAERN CC(=O)[C@]1(O)CCC=C1C 238104143 573794309 /nfs/dbraw/zinc/79/43/09/573794309.db2.gz LBKOMIZDTJOXNJ-QMMMGPOBSA-N 0 0 140.182 1.047 10 0 ADAERN COc1cccc([C@H](C)NN)c1OC 127210845 573794321 /nfs/dbraw/zinc/79/43/21/573794321.db2.gz UYUJBMXVATWTED-ZETCQYMHSA-N 0 0 196.250 1.228 10 0 ADAERN Cc1ccc2c(C[NH3+])noc2c1 238520092 573794339 /nfs/dbraw/zinc/79/43/39/573794339.db2.gz OWWQLUUOJLZZDV-UHFFFAOYSA-N 0 0 162.192 1.595 10 0 ADAERN CC(C)[C@H]([NH2+][C@@H](C)C1(C)CC1)C(=O)[O-] 43430455 573794343 /nfs/dbraw/zinc/79/43/43/573794343.db2.gz AEXWQKHHNSUBJS-IUCAKERBSA-N 0 0 199.294 1.874 10 0 ADAERN CC/C(=C\C[NH2+]CC=C(C)C)C(=O)[O-] 308441075 573794349 /nfs/dbraw/zinc/79/43/49/573794349.db2.gz FGZILMGWUMMVLW-UXBLZVDNSA-N 0 0 197.278 1.963 10 0 ADAERN C[C@@]1(c2ccco2)CNC(=O)O1 258426666 573794352 /nfs/dbraw/zinc/79/43/52/573794352.db2.gz OOBZUHNMLAYXGO-QMMMGPOBSA-N 0 0 167.164 1.235 10 0 ADAERN CCN(C(=O)NC)c1cccc(N)c1 125122602 573794364 /nfs/dbraw/zinc/79/43/64/573794364.db2.gz DGZUEKWTDDGXNW-UHFFFAOYSA-N 0 0 193.250 1.435 10 0 ADAERN CCn1nccc1[C@H](C)[C@@H](C)O 87141861 573794369 /nfs/dbraw/zinc/79/43/69/573794369.db2.gz MTNSMDFVYNHJMB-HTQZYQBOSA-N 0 0 168.240 1.387 10 0 ADAERN CCCCCCOC(=O)CNC1CC1 40952976 573794370 /nfs/dbraw/zinc/79/43/70/573794370.db2.gz JYUAZYQCULOHKK-UHFFFAOYSA-N 0 0 199.294 1.862 10 0 ADAERN CC(=O)C[C@@H]1CC[C@]1(C)O 238119431 573794375 /nfs/dbraw/zinc/79/43/75/573794375.db2.gz OKTZCPGPAJXPHD-YUMQZZPRSA-N 0 0 142.198 1.127 10 0 ADAERN C/C(=C\C[NH2+][C@@H]1CC=CCC1)C(=O)[O-] 308442730 573794387 /nfs/dbraw/zinc/79/43/87/573794387.db2.gz KQWVBUFVWKPGGK-TTZKWOQHSA-N 0 0 195.262 1.716 10 0 ADAERN Cc1cc(C(F)F)[nH]c(=O)c1C=O 238520186 573794419 /nfs/dbraw/zinc/79/44/19/573794419.db2.gz RPWQHZHXWLXYEI-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN CC(=O)c1c[nH]nc1[C@H]1CCCCO1 257878370 573794452 /nfs/dbraw/zinc/79/44/52/573794452.db2.gz VAFYCQLOCYXKQN-SECBINFHSA-N 0 0 194.234 1.854 10 0 ADAERN C[C@H]1C[C@@H]1CCCC(=O)CO 238506464 573794465 /nfs/dbraw/zinc/79/44/65/573794465.db2.gz ZVKJWMIQQROWIL-YUMQZZPRSA-N 0 0 156.225 1.374 10 0 ADAERN FC(F)C(F)(F)n1cccn1 238521319 573794467 /nfs/dbraw/zinc/79/44/67/573794467.db2.gz MAVLAFBGFUMVQG-UHFFFAOYSA-N 0 0 168.093 1.698 10 0 ADAERN COC(=O)C=CN[C@@H]1CCCC1(C)C 308440491 573794469 /nfs/dbraw/zinc/79/44/69/573794469.db2.gz YWMRMTVBBOWFDC-JGAIRUGNSA-N 0 0 197.278 1.841 10 0 ADAERN CCCOC[C@@H](C)[C@H](C)O 87142004 573794472 /nfs/dbraw/zinc/79/44/72/573794472.db2.gz RBBFVXLLXUNXMN-SFYZADRCSA-N 0 0 146.230 1.430 10 0 ADAERN COc1ccc(NCCC(C)C)nn1 308728407 573794473 /nfs/dbraw/zinc/79/44/73/573794473.db2.gz HTPUYWBTNCWYLM-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN Cc1cccc([C@H]2C[C@H](O)C(=O)O2)c1 238520111 573794484 /nfs/dbraw/zinc/79/44/84/573794484.db2.gz AISJUGBDBGGHIU-VHSXEESVSA-N 0 0 192.214 1.344 10 0 ADAERN CC(=O)[C@]1(Cl)CCCC[C@H]1O 238103220 573794486 /nfs/dbraw/zinc/79/44/86/573794486.db2.gz IZQODLUQVXODPQ-HTQZYQBOSA-N 0 0 176.643 1.488 10 0 ADAERN Cc1coc(N[C@H](CO)CC2CC2)n1 308729650 573794500 /nfs/dbraw/zinc/79/45/00/573794500.db2.gz ITNNMJITDYMNBY-VIFPVBQESA-N 0 0 196.250 1.556 10 0 ADAERN CC(C)CCCOC(=O)CNC1CC1 40952388 573794531 /nfs/dbraw/zinc/79/45/31/573794531.db2.gz UZLGJZBXBFJOCG-UHFFFAOYSA-N 0 0 199.294 1.718 10 0 ADAERN Cc1cc2c(cn1)CC1(COC1)C2 238521024 573794539 /nfs/dbraw/zinc/79/45/39/573794539.db2.gz CCZMPJQRIVIILO-UHFFFAOYSA-N 0 0 175.231 1.505 10 0 ADAERN Cc1cccc(CON)c1C 238521544 573794605 /nfs/dbraw/zinc/79/46/05/573794605.db2.gz OZMCNABKZOBDGO-UHFFFAOYSA-N 0 0 151.209 1.694 10 0 ADAERN C=CC1=C([Si](C)(C)C)[C@H](O)OC1 238520531 573794627 /nfs/dbraw/zinc/79/46/27/573794627.db2.gz SMULYQZTNGKTIR-SECBINFHSA-N 0 0 184.311 1.695 10 0 ADAERN CCCCCC(=O)[C@@H](O)CC(C)=O 35784350 573794630 /nfs/dbraw/zinc/79/46/30/573794630.db2.gz DJFQTFPRSZWLBV-JTQLQIEISA-N 0 0 186.251 1.476 10 0 ADAERN C[C@]1(c2ccco2)CNC(=O)O1 258426664 573794634 /nfs/dbraw/zinc/79/46/34/573794634.db2.gz OOBZUHNMLAYXGO-MRVPVSSYSA-N 0 0 167.164 1.235 10 0 ADAERN CCCS[C@H]1COCCN1 259189187 573794636 /nfs/dbraw/zinc/79/46/36/573794636.db2.gz JCZDMMVTVZMRAI-ZETCQYMHSA-N 0 0 161.270 1.076 10 0 ADAERN Cc1nnc(Cl)c(C[NH3+])c1C 238520081 573794643 /nfs/dbraw/zinc/79/46/43/573794643.db2.gz ZLKRZBUVPARPPG-UHFFFAOYSA-N 0 0 171.631 1.206 10 0 ADAERN c1c[nH]c2cncc-2c1 100304360 573794655 /nfs/dbraw/zinc/79/46/55/573794655.db2.gz QJMCIPBZDVYHDC-UHFFFAOYSA-N 0 0 118.139 1.515 10 0 ADAERN C[C@H](O)CCc1ccc2c(c1)CCN2 257878275 573794659 /nfs/dbraw/zinc/79/46/59/573794659.db2.gz UZCXJALDHCXKSW-VIFPVBQESA-N 0 0 191.274 1.968 10 0 ADAERN C[C@H](O)[C@@H]1C=CC=CC=C[C@H]1[C@@H](C)O 308440586 573794665 /nfs/dbraw/zinc/79/46/65/573794665.db2.gz DBVXSXUPCUUZIS-USZNOCQGSA-N 0 0 194.274 1.663 10 0 ADAERN CC(=O)Nc1ncc(Cl)cc1C=O 238103446 573794693 /nfs/dbraw/zinc/79/46/93/573794693.db2.gz LQNQXQIJZNWWBA-UHFFFAOYSA-N 0 0 198.609 1.506 10 0 ADAERN CC(C)CCCOC(=O)[C@H](C)N 40952228 573794709 /nfs/dbraw/zinc/79/47/09/573794709.db2.gz GIMSZQAKXAZQBY-QMMMGPOBSA-N 0 0 173.256 1.313 10 0 ADAERN CC[C@@H](C)C[C@@H](NN)c1cn[nH]c1 393590817 573794742 /nfs/dbraw/zinc/79/47/42/573794742.db2.gz OVAOAYZJOQSTNE-VXNVDRBHSA-N 0 0 182.271 1.350 10 0 ADAERN C[C@@H](O)[C@@H](C)Sc1ccncn1 87140215 573794744 /nfs/dbraw/zinc/79/47/44/573794744.db2.gz MZLNPDXUIWMOIR-RNFRBKRXSA-N 0 0 184.264 1.338 10 0 ADAERN CC(C)n1ccc(CNCCF)n1 393563073 573794749 /nfs/dbraw/zinc/79/47/49/573794749.db2.gz CSLSCFMOZJRMEF-UHFFFAOYSA-N 0 0 185.246 1.523 10 0 ADAERN Cc1cnc([C@H]2CN(C)CCN2)s1 76187823 573794762 /nfs/dbraw/zinc/79/47/62/573794762.db2.gz NFUXKRUFMWHVTE-MRVPVSSYSA-N 0 0 197.307 1.028 10 0 ADAERN CC[N@H+]1CC=C(CCC(=O)[O-])CC1 258130610 573794768 /nfs/dbraw/zinc/79/47/68/573794768.db2.gz PRGODOTXGNNSKI-UHFFFAOYSA-N 0 0 183.251 1.503 10 0 ADAERN CC(C)(C(N)=O)C1=CCCC1 238104511 573794827 /nfs/dbraw/zinc/79/48/27/573794827.db2.gz NFYLYEPGYQXVRG-UHFFFAOYSA-N 0 0 153.225 1.608 10 0 ADAERN C/C(=C\C[NH2+]C[C@@H](C)C(C)C)C(=O)[O-] 308440526 573794829 /nfs/dbraw/zinc/79/48/29/573794829.db2.gz ZBJSYVNDNYVJAZ-NAZIUFLLSA-N 0 0 199.294 1.899 10 0 ADAERN CNc1ccc(O[C@H](C)[C@H](C)O)cc1 87141247 573794831 /nfs/dbraw/zinc/79/48/31/573794831.db2.gz AYNLMADSIKMOFK-DTWKUNHWSA-N 0 0 195.262 1.876 10 0 ADAERN c1cc2c([nH]1)NCCC2 100306880 573794845 /nfs/dbraw/zinc/79/48/45/573794845.db2.gz REPGMMMMEXASST-UHFFFAOYSA-N 0 0 122.171 1.373 10 0 ADAERN Clc1nnnc2occc12 259188877 573794853 /nfs/dbraw/zinc/79/48/53/573794853.db2.gz IOYREABJOKHGOQ-UHFFFAOYSA-N 0 0 155.544 1.271 10 0 ADAERN N[C@H](c1cccnc1)C(F)F 84192640 573794857 /nfs/dbraw/zinc/79/48/57/573794857.db2.gz PQHPLSZRHANSOG-ZCFIWIBFSA-N 0 0 158.151 1.347 10 0 ADAERN OCCc1ccc2c(c1)CCOC2 84283688 573794883 /nfs/dbraw/zinc/79/48/83/573794883.db2.gz MMNANHMMUCAIHR-UHFFFAOYSA-N 0 0 178.231 1.294 10 0 ADAERN C[C@H](O)[C@H]1C=CC=CC=C[C@H]1[C@H](C)O 308440584 573794891 /nfs/dbraw/zinc/79/48/91/573794891.db2.gz DBVXSXUPCUUZIS-FIQHERPVSA-N 0 0 194.274 1.663 10 0 ADAERN Cn1cnc(-c2ccc(N)cc2)c1N 238521424 573794910 /nfs/dbraw/zinc/79/49/10/573794910.db2.gz IQWAFYVKQPTVEY-UHFFFAOYSA-N 0 0 188.234 1.252 10 0 ADAERN Cc1cnc(CO)c(C(F)F)c1 238521054 573794924 /nfs/dbraw/zinc/79/49/24/573794924.db2.gz MBEWGERGHIVFTP-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN COC[C@@H](C)C[C@H](CC(C)C)NN 127298311 573794940 /nfs/dbraw/zinc/79/49/40/573794940.db2.gz XJBDDVXRBKQBAM-UWVGGRQHSA-N 0 0 188.315 1.537 10 0 ADAERN C[C@@H](O)[C@@H](C)O[C@H](C)C(F)(F)F 131231868 573794960 /nfs/dbraw/zinc/79/49/60/573794960.db2.gz RUTOXMBTVHBDRF-HSUXUTPPSA-N 0 0 186.173 1.723 10 0 ADAERN C[C@@H](O)[C@@H](C)Oc1cccc(N)c1 87141206 573794980 /nfs/dbraw/zinc/79/49/80/573794980.db2.gz GHNWZKCAZXCYFP-HTQZYQBOSA-N 0 0 181.235 1.417 10 0 ADAERN O=Cc1cc(C[C@@H]2CCOC2)on1 258424704 573794984 /nfs/dbraw/zinc/79/49/84/573794984.db2.gz FEBKOKOFFYCJKV-ZETCQYMHSA-N 0 0 181.191 1.066 10 0 ADAERN C[C@@H](c1ccccc1)[C@@H](O)/C=C\CO 308441606 573795044 /nfs/dbraw/zinc/79/50/44/573795044.db2.gz GGCJIADYNQLFCV-ZNYSMOTLSA-N 0 0 192.258 1.700 10 0 ADAERN Cc1coc(N[C@@H](CO)CC2CC2)n1 308729649 573795066 /nfs/dbraw/zinc/79/50/66/573795066.db2.gz ITNNMJITDYMNBY-SECBINFHSA-N 0 0 196.250 1.556 10 0 ADAERN CCCCCOC(=O)CNCC1CC1 40954340 573795068 /nfs/dbraw/zinc/79/50/68/573795068.db2.gz TWKXAHRLFAPGFI-UHFFFAOYSA-N 0 0 199.294 1.719 10 0 ADAERN CC(C)[C@H]([NH2+][C@H](C)C1(C)CC1)C(=O)[O-] 43430457 573795074 /nfs/dbraw/zinc/79/50/74/573795074.db2.gz AEXWQKHHNSUBJS-BDAKNGLRSA-N 0 0 199.294 1.874 10 0 ADAERN CN(c1ccccn1)C(C)(C)CCO 258949020 573795138 /nfs/dbraw/zinc/79/51/38/573795138.db2.gz WUQXUOCLCWQXAJ-UHFFFAOYSA-N 0 0 194.278 1.679 10 0 ADAERN CC(=O)[C@]1(Cl)OC1(C)C 238103458 573795139 /nfs/dbraw/zinc/79/51/39/573795139.db2.gz UWYSSIGIJOGFDW-LURJTMIESA-N 0 0 148.589 1.319 10 0 ADAERN Cc1c[nH]c(CO)c(C(F)F)c1=O 238521366 573795169 /nfs/dbraw/zinc/79/51/69/573795169.db2.gz VVEVXXNHLUCBEQ-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN Cc1ncnc(NCC2CC2)c1C 670644456 573795183 /nfs/dbraw/zinc/79/51/83/573795183.db2.gz QRZXEIOYVGYBSI-UHFFFAOYSA-N 0 0 177.251 1.915 10 0 ADAERN CNC(=O)Nc1c(C)cc(N)cc1C 125124532 573795215 /nfs/dbraw/zinc/79/52/15/573795215.db2.gz RCESCGPQOJICLV-UHFFFAOYSA-N 0 0 193.250 1.637 10 0 ADAERN CCOCC[C@@H](CC(C)C)NN 127291371 573795234 /nfs/dbraw/zinc/79/52/34/573795234.db2.gz RSWXEPSZCXVANO-VIFPVBQESA-N 0 0 174.288 1.291 10 0 ADAERN Cc1cc(C(F)F)ncc1C(N)=O 238521110 573795249 /nfs/dbraw/zinc/79/52/49/573795249.db2.gz MASRVZQXEBUBIM-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN FC(F)C1=CC(C(F)F)=NCCN1 238521417 573795257 /nfs/dbraw/zinc/79/52/57/573795257.db2.gz BVGRKJKSTOFPCA-UHFFFAOYSA-N 0 0 196.147 1.445 10 0 ADAERN C=CO[C@H]1CCCC[C@H]1NC=O 238104007 573795264 /nfs/dbraw/zinc/79/52/64/573795264.db2.gz GGHKTUZXLAOUMD-BDAKNGLRSA-N 0 0 169.224 1.204 10 0 ADAERN CC(C)(C)OC(=O)c1ncc[nH]c1=O 238103710 573795272 /nfs/dbraw/zinc/79/52/72/573795272.db2.gz IAICDNUMIOKWKA-UHFFFAOYSA-N 0 0 196.206 1.138 10 0 ADAERN Cc1nc(Cl)c2cncn2n1 238520541 573795274 /nfs/dbraw/zinc/79/52/74/573795274.db2.gz HJURHCUAEHVKSF-UHFFFAOYSA-N 0 0 168.587 1.086 10 0 ADAERN c1cnc2c(c1)ncn2[C@@H]1CCCO1 258949634 573795322 /nfs/dbraw/zinc/79/53/22/573795322.db2.gz XFEBLUIBQNCGNG-VIFPVBQESA-N 0 0 189.218 1.740 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1C[NH2+]CC1CCCC1 258949223 573795329 /nfs/dbraw/zinc/79/53/29/573795329.db2.gz UNQPUYRSDAKUJR-NXEZZACHSA-N 0 0 197.278 1.487 10 0 ADAERN Cc1nccnc1SCCCO 214537773 573795363 /nfs/dbraw/zinc/79/53/63/573795363.db2.gz VECXKZKKJYLWMU-UHFFFAOYSA-N 0 0 184.264 1.260 10 0 ADAERN Cc1cc(CNCc2cocn2)no1 308743137 573795367 /nfs/dbraw/zinc/79/53/67/573795367.db2.gz PWYXPKLKFLMKRV-UHFFFAOYSA-N 0 0 193.206 1.261 10 0 ADAERN Cc1ccc([C@@]2(CO)C[C@@H]2C)o1 258945418 573795375 /nfs/dbraw/zinc/79/53/75/573795375.db2.gz DCDCONVRJPWVKJ-OIBJUYFYSA-N 0 0 166.220 1.858 10 0 ADAERN O=Cc1cc(C[C@H]2CCOC2)on1 258424701 573795431 /nfs/dbraw/zinc/79/54/31/573795431.db2.gz FEBKOKOFFYCJKV-SSDOTTSWSA-N 0 0 181.191 1.066 10 0 ADAERN Cc1c(N)ccc2cnoc12 238520636 573795434 /nfs/dbraw/zinc/79/54/34/573795434.db2.gz DSJOLUZNCRTVDP-UHFFFAOYSA-N 0 0 148.165 1.718 10 0 ADAERN CCC(CC)[NH2+][C@H](C(=O)[O-])C(C)C 43429706 573795465 /nfs/dbraw/zinc/79/54/65/573795465.db2.gz GVCULYDTFHCYEQ-VIFPVBQESA-N 0 0 187.283 1.874 10 0 ADAERN CCCCOC(=O)[C@H](C)[C@H](C)O 78199264 573795468 /nfs/dbraw/zinc/79/54/68/573795468.db2.gz LBEZBFLTUMLBMM-SFYZADRCSA-N 0 0 174.240 1.347 10 0 ADAERN Cc1cc(C2CCOCC2)nc(N)n1 238520513 573795480 /nfs/dbraw/zinc/79/54/80/573795480.db2.gz VHRRBHFIMXCYFX-UHFFFAOYSA-N 0 0 193.250 1.261 10 0 ADAERN COc1ccc(COC(C)=O)cn1 308442203 573795482 /nfs/dbraw/zinc/79/54/82/573795482.db2.gz ZITICVCFDCSZCC-UHFFFAOYSA-N 0 0 181.191 1.153 10 0 ADAERN C/C=C\C(=O)N[C@@H](CCO)C(C)(C)C 308440391 573795489 /nfs/dbraw/zinc/79/54/89/573795489.db2.gz FBNSMEIYMRJCBI-UDIARPCQSA-N 0 0 199.294 1.476 10 0 ADAERN CCCCCC[C@H](C)OC(=O)CN 40952549 573795524 /nfs/dbraw/zinc/79/55/24/573795524.db2.gz AQPBALXWUHHVFE-VIFPVBQESA-N 0 0 187.283 1.847 10 0 ADAERN CC(C)(CO)[C@@H](O)c1ccccc1O 238120159 573795546 /nfs/dbraw/zinc/79/55/46/573795546.db2.gz ICPSKYGNOZUSDQ-JTQLQIEISA-N 0 0 196.246 1.444 10 0 ADAERN Cc1ncc2c(c1O)CSC2 238520824 573795547 /nfs/dbraw/zinc/79/55/47/573795547.db2.gz VPLCGRQWPOBGNE-UHFFFAOYSA-N 0 0 167.233 1.842 10 0 ADAERN C1=NN[C@H]2C1=C1C[C@H]1C21CCCC1 238103023 573795565 /nfs/dbraw/zinc/79/55/65/573795565.db2.gz LJCFWIRBHZOIFZ-ZJUUUORDSA-N 0 0 174.247 1.835 10 0 ADAERN Cc1cncc(NC(C)C)n1 143478201 573795577 /nfs/dbraw/zinc/79/55/77/573795577.db2.gz KCVDXRSREXBTKY-UHFFFAOYSA-N 0 0 151.213 1.605 10 0 ADAERN CCCCCCOC(=O)[C@H](C)N 40952835 573795602 /nfs/dbraw/zinc/79/56/02/573795602.db2.gz MLTVWQGWBXYHFY-QMMMGPOBSA-N 0 0 173.256 1.457 10 0 ADAERN C[NH2+][C@@H](C[C@H](C)C(=O)[O-])C(C)(C)C 259188595 573795619 /nfs/dbraw/zinc/79/56/19/573795619.db2.gz DXIVGNWVGVZKHP-YUMQZZPRSA-N 0 0 187.283 1.731 10 0 ADAERN CC(=O)c1c(C)n(C)c(C)cc1=O 238119689 573795621 /nfs/dbraw/zinc/79/56/21/573795621.db2.gz FBSUCEJXRNTFKY-UHFFFAOYSA-N 0 0 179.219 1.205 10 0 ADAERN C/C=C/CCNc1nccnc1OC 308731768 573795624 /nfs/dbraw/zinc/79/56/24/573795624.db2.gz JUENYFYMMRWVCC-ONEGZZNKSA-N 0 0 193.250 1.863 10 0 ADAERN Cc1nccc([C@H](N)c2ccco2)n1 125119180 573795646 /nfs/dbraw/zinc/79/56/46/573795646.db2.gz DFZHILJRVUIHKM-JTQLQIEISA-N 0 0 189.218 1.426 10 0 ADAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H](C)[C@@H](C)O)C1 87141329 573795657 /nfs/dbraw/zinc/79/56/57/573795657.db2.gz LDZPKJJYNZOWSJ-XXFSISAASA-N 0 0 186.295 1.800 10 0 ADAERN Cc1c(N)ccc2c1NCCO2 238520174 573795661 /nfs/dbraw/zinc/79/56/61/573795661.db2.gz DEVNYYCYSYXFHD-UHFFFAOYSA-N 0 0 164.208 1.382 10 0 ADAERN C1=NN[C@H]2C1=C1C[C@@H]1C21CCCC1 238103069 573795665 /nfs/dbraw/zinc/79/56/65/573795665.db2.gz LJCFWIRBHZOIFZ-UWVGGRQHSA-N 0 0 174.247 1.835 10 0 ADAERN CNCC(=O)O[C@@H]1CCC[C@@H](C)C1 40953463 573795667 /nfs/dbraw/zinc/79/56/67/573795667.db2.gz KWHLSLUAZLDVID-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN Cc1c(N)ccc2c1C=CS2(=O)=O 238520501 573795678 /nfs/dbraw/zinc/79/56/78/573795678.db2.gz ZULYIBPHNBPBJT-UHFFFAOYSA-N 0 0 195.243 1.335 10 0 ADAERN N#CNc1ncc(C2CCC2)cn1 259189011 573795683 /nfs/dbraw/zinc/79/56/83/573795683.db2.gz HKBMGDFXVLXXKB-UHFFFAOYSA-N 0 0 174.207 1.637 10 0 ADAERN CNC(=O)Nc1ccc(N)c(C)c1 125119485 573795684 /nfs/dbraw/zinc/79/56/84/573795684.db2.gz COTLREDJZUBAAM-UHFFFAOYSA-N 0 0 179.223 1.329 10 0 ADAERN CC(C)CCCOC(=O)[C@@H](C)N 40952226 573795692 /nfs/dbraw/zinc/79/56/92/573795692.db2.gz GIMSZQAKXAZQBY-MRVPVSSYSA-N 0 0 173.256 1.313 10 0 ADAERN CCC[C@@H](O)CNc1cc(F)ccn1 308727885 573795693 /nfs/dbraw/zinc/79/56/93/573795693.db2.gz HOHGEFOWWJNFSP-SECBINFHSA-N 0 0 198.241 1.794 10 0 ADAERN C[C@H](O)[C@H](C)Oc1cccc(N)c1 87141208 573795694 /nfs/dbraw/zinc/79/56/94/573795694.db2.gz GHNWZKCAZXCYFP-YUMQZZPRSA-N 0 0 181.235 1.417 10 0 ADAERN CCO[C@H](C)C(=O)OC[C@@H]1C[C@H]1C 308441410 573795709 /nfs/dbraw/zinc/79/57/09/573795709.db2.gz YYYUQDJBYWVNOR-HLTSFMKQSA-N 0 0 186.251 1.611 10 0 ADAERN C[NH2+][C@@H](C[C@@H](C)C(=O)[O-])C(C)(C)C 259188594 573795733 /nfs/dbraw/zinc/79/57/33/573795733.db2.gz DXIVGNWVGVZKHP-SFYZADRCSA-N 0 0 187.283 1.731 10 0 ADAERN CO[C@@H](C)[C@H](C)NC(=O)C=C(C)C 308440247 573795739 /nfs/dbraw/zinc/79/57/39/573795739.db2.gz YRMADJKNSRYLGL-IUCAKERBSA-N 0 0 185.267 1.492 10 0 ADAERN Cc1ccc(C=O)c2[nH]nc(C)c12 259569474 573795780 /nfs/dbraw/zinc/79/57/80/573795780.db2.gz WDPZAUALNFIKTC-UHFFFAOYSA-N 0 0 174.203 1.992 10 0 ADAERN CCC[C@H](c1nnc(C)o1)N(C)C 308440765 573795798 /nfs/dbraw/zinc/79/57/98/573795798.db2.gz YUQXEVGOJSGUEX-MRVPVSSYSA-N 0 0 183.255 1.781 10 0 ADAERN CC(=O)CCCOC1CCOCC1 40993486 573795805 /nfs/dbraw/zinc/79/58/05/573795805.db2.gz QKISAVTVLRECMJ-UHFFFAOYSA-N 0 0 186.251 1.551 10 0 ADAERN CC/C=C/C(=O)N[C@@H]1C[C@@H]1OCC 308442034 573795821 /nfs/dbraw/zinc/79/58/21/573795821.db2.gz ZERQONPWLPFFEH-RKWMXMRGSA-N 0 0 183.251 1.246 10 0 ADAERN CNC(=O)Nc1c(N)cccc1Cl 125119701 573795822 /nfs/dbraw/zinc/79/58/22/573795822.db2.gz ONJVXPPAZIFABS-UHFFFAOYSA-N 0 0 199.641 1.674 10 0 ADAERN CNC(=O)Nc1cc(C)c(C)cc1N 125119958 573795831 /nfs/dbraw/zinc/79/58/31/573795831.db2.gz NTQYQUYMQQBPBE-UHFFFAOYSA-N 0 0 193.250 1.637 10 0 ADAERN Cc1csc([C@H]2CN(C)CCN2)n1 76187819 573795883 /nfs/dbraw/zinc/79/58/83/573795883.db2.gz DTBVPWACFZWFIB-MRVPVSSYSA-N 0 0 197.307 1.028 10 0 ADAERN COCCCN1CCCC(=O)C1(C)C 259190627 573795905 /nfs/dbraw/zinc/79/59/05/573795905.db2.gz BPICRAYEPPDUCD-UHFFFAOYSA-N 0 0 199.294 1.466 10 0 ADAERN CCCCCOC(=O)CNC(C)C 40954368 573795958 /nfs/dbraw/zinc/79/59/58/573795958.db2.gz IZDSAOOVGZMLMP-UHFFFAOYSA-N 0 0 187.283 1.718 10 0 ADAERN CNCC(=O)OCCCC(C)C 40952266 573795970 /nfs/dbraw/zinc/79/59/70/573795970.db2.gz HABSEVUDJSATFZ-UHFFFAOYSA-N 0 0 173.256 1.185 10 0 ADAERN CC(=O)CC[C@@H]1CCCCNC1=O 238102378 573795971 /nfs/dbraw/zinc/79/59/71/573795971.db2.gz JAFMLVKEDSYZRD-VIFPVBQESA-N 0 0 183.251 1.272 10 0 ADAERN C=CON1C(=O)C2=CCCC[C@H]2C1=O 238103559 573795979 /nfs/dbraw/zinc/79/59/79/573795979.db2.gz XZLGKQQQBZQNKL-MRVPVSSYSA-N 0 0 193.202 1.157 10 0 ADAERN CCCCC[C@H](O)[C@@H]1COC(=O)O1 215410934 573795998 /nfs/dbraw/zinc/79/59/98/573795998.db2.gz KEQVMRNXMHRDJJ-YUMQZZPRSA-N 0 0 188.223 1.463 10 0 ADAERN Cc1nnc(N)c2cc(N)ccc12 238520495 573795999 /nfs/dbraw/zinc/79/59/99/573795999.db2.gz DEABRDFKXFMGDH-UHFFFAOYSA-N 0 0 174.207 1.103 10 0 ADAERN CC(=O)[C@]1(CO)CC=CC(C)(C)C1 238102787 573796005 /nfs/dbraw/zinc/79/60/05/573796005.db2.gz UDVSXSZMRRADNR-LLVKDONJSA-N 0 0 182.263 1.930 10 0 ADAERN Cc1ccc(NC=O)c(C)c1NC=O 238520065 573796028 /nfs/dbraw/zinc/79/60/28/573796028.db2.gz UFCIQROANQOXIX-UHFFFAOYSA-N 0 0 192.218 1.440 10 0 ADAERN C=CC1=C([Si](C)(C)C)[C@@H](O)OC1 238520514 573796048 /nfs/dbraw/zinc/79/60/48/573796048.db2.gz SMULYQZTNGKTIR-VIFPVBQESA-N 0 0 184.311 1.695 10 0 ADAERN C/C(=C/C[NH2+]CCC1CCC1)C(=O)[O-] 393668848 573796109 /nfs/dbraw/zinc/79/61/09/573796109.db2.gz BLHMMIMHQGPZFU-UITAMQMPSA-N 0 0 197.278 1.797 10 0 ADAERN CCSCCCn1cnccc1=O 131234219 573796138 /nfs/dbraw/zinc/79/61/38/573796138.db2.gz RYGOZCVSPGZGQO-UHFFFAOYSA-N 0 0 198.291 1.387 10 0 ADAERN Cc1cc2nccn2cc1O 238520924 573796141 /nfs/dbraw/zinc/79/61/41/573796141.db2.gz OJWWOSDSLYYPLF-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN CC(=O)c1c(C)cccc1NC=O 238119528 573796161 /nfs/dbraw/zinc/79/61/61/573796161.db2.gz AZJAARKHYKLVIX-UHFFFAOYSA-N 0 0 177.203 1.766 10 0 ADAERN NN[C@@H](N)c1cccc2ccccc12 259188898 573796173 /nfs/dbraw/zinc/79/61/73/573796173.db2.gz CZBKCGOSFGRKCW-LLVKDONJSA-N 0 0 187.246 1.260 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@](C)(CC(=O)[O-])C1 259569207 573796176 /nfs/dbraw/zinc/79/61/76/573796176.db2.gz YLDVPSGJZMTIFN-NSHDSACASA-N 0 0 199.294 1.972 10 0 ADAERN C[NH2+][C@H](C[C@@H](C)C(=O)[O-])C(C)(C)C 259188592 573796232 /nfs/dbraw/zinc/79/62/32/573796232.db2.gz DXIVGNWVGVZKHP-HTQZYQBOSA-N 0 0 187.283 1.731 10 0 ADAERN CCn1nccc1[C@@H](C)[C@H](C)O 87141864 573796256 /nfs/dbraw/zinc/79/62/56/573796256.db2.gz MTNSMDFVYNHJMB-YUMQZZPRSA-N 0 0 168.240 1.387 10 0 ADAERN Cc1cc(C(F)F)[nH]c(=O)c1N 238520466 573796266 /nfs/dbraw/zinc/79/62/66/573796266.db2.gz IWFSOOLXNKARRX-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CC(C)[C@H](O)C[C@@H](C)[C@@H](C)O 87141296 573795563 /nfs/dbraw/zinc/79/55/63/573795563.db2.gz WXQMGFDNUZEIKV-IWSPIJDZSA-N 0 0 160.257 1.410 10 0 ADAERN C[C@@H]1CC[C@H]([C@H](O)c2ncn(C)n2)C1 714746502 573804448 /nfs/dbraw/zinc/80/44/48/573804448.db2.gz AUWLTPDYJJXUIX-VGMNWLOBSA-N 0 0 195.266 1.285 10 0 ADAERN CCCc1nc([C@@H](C)NC)no1 258135705 573804467 /nfs/dbraw/zinc/80/44/67/573804467.db2.gz UZYYLLSGICOOLZ-ZCFIWIBFSA-N 0 0 169.228 1.303 10 0 ADAERN C=Cc1ncc(CO)cc1C 209743102 573804471 /nfs/dbraw/zinc/80/44/71/573804471.db2.gz FMGGOALUYSMYFG-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN CC1(C)CN(c2ncc(CO)s2)C1 642820195 573804481 /nfs/dbraw/zinc/80/44/81/573804481.db2.gz XGICZWQYXOXTBE-UHFFFAOYSA-N 0 0 197.283 1.068 10 0 ADAERN Cc1ccc2c(c1)C[C@H](CCO)N2 258135604 573804483 /nfs/dbraw/zinc/80/44/83/573804483.db2.gz QBTNARSWDINRMW-JTQLQIEISA-N 0 0 177.247 1.714 10 0 ADAERN Cc1ccc(N)c(N2CC[C@@H](O)C2)c1 87150132 573804487 /nfs/dbraw/zinc/80/44/87/573804487.db2.gz XEJOUFFWAQOAPE-SECBINFHSA-N 0 0 192.262 1.148 10 0 ADAERN Nc1ccc(F)cc1OCCCO 43443860 573804501 /nfs/dbraw/zinc/80/45/01/573804501.db2.gz FVUNJBVVIPFOFB-UHFFFAOYSA-N 0 0 185.198 1.169 10 0 ADAERN Cc1ccc(N)c(NCC[C@@H](C)O)c1 87150327 573804514 /nfs/dbraw/zinc/80/45/14/573804514.db2.gz BOMOZDSFWSIUGL-SECBINFHSA-N 0 0 194.278 1.760 10 0 ADAERN Cc1c(N)cc(C(F)F)nc1C=O 238516777 573804515 /nfs/dbraw/zinc/80/45/15/573804515.db2.gz KFXNUBHGJIJGPX-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1c(N)cccc1OCCCCO 43444945 573804524 /nfs/dbraw/zinc/80/45/24/573804524.db2.gz VXWNEAHFSIPZRZ-UHFFFAOYSA-N 0 0 195.262 1.729 10 0 ADAERN C[C@H]1CCO[C@H]1c1cnc(CN)o1 125156666 573804535 /nfs/dbraw/zinc/80/45/35/573804535.db2.gz XVXTVSXJXRHFTO-IMTBSYHQSA-N 0 0 182.223 1.231 10 0 ADAERN Cc1ccc(N)c(NCC(C)(C)O)c1 87150349 573803817 /nfs/dbraw/zinc/80/38/17/573803817.db2.gz XGRVXHHHAYGLSM-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN Cn1ccc(-c2cccc(O)c2)c1N 258134116 573803823 /nfs/dbraw/zinc/80/38/23/573803823.db2.gz NXPWJMREPCKCRQ-UHFFFAOYSA-N 0 0 188.230 1.980 10 0 ADAERN CC(=O)c1c(C)nn2cccnc12 238120441 573803831 /nfs/dbraw/zinc/80/38/31/573803831.db2.gz BIUKCRISPDJWJO-UHFFFAOYSA-N 0 0 175.191 1.240 10 0 ADAERN Cc1ccc2ccc(=O)c(CO)c-2[nH]1 238528364 573803842 /nfs/dbraw/zinc/80/38/42/573803842.db2.gz WEQJQVDEBADFLB-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN O=Cc1nc(Cl)c2cc[nH]c2n1 238515793 573803848 /nfs/dbraw/zinc/80/38/48/573803848.db2.gz XKSVIJAHGSNCFW-UHFFFAOYSA-N 0 0 181.582 1.424 10 0 ADAERN CC/C=C\C(=O)NC[C@@H](C)CCO 308443513 573803850 /nfs/dbraw/zinc/80/38/50/573803850.db2.gz AEDBWEXRLDKWKN-WBSSQXGSSA-N 0 0 185.267 1.087 10 0 ADAERN Cn1ccc([C@@H]2CCCC2=O)c1 238516039 573803857 /nfs/dbraw/zinc/80/38/57/573803857.db2.gz GXUKRNPQGHHDGJ-VIFPVBQESA-N 0 0 163.220 1.862 10 0 ADAERN Cc1ccc(N)c(NC[C@H](C)CO)c1 87150341 573803861 /nfs/dbraw/zinc/80/38/61/573803861.db2.gz XQWWWMWFKLZSGW-VIFPVBQESA-N 0 0 194.278 1.618 10 0 ADAERN Nc1oncc1-c1ccc(O)c(F)c1 258133710 573803867 /nfs/dbraw/zinc/80/38/67/573803867.db2.gz RSNPEAMFLJQYPL-UHFFFAOYSA-N 0 0 194.165 1.769 10 0 ADAERN Clc1nnnn1C1CCC1 238528196 573803875 /nfs/dbraw/zinc/80/38/75/573803875.db2.gz FNTOHDVFRPPJBT-UHFFFAOYSA-N 0 0 158.592 1.052 10 0 ADAERN Cc1[nH]c(CO)cc(=O)c1C(F)F 238528199 573803889 /nfs/dbraw/zinc/80/38/89/573803889.db2.gz MIVZHLVSFSTARB-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC[N@@H+]1CCC=C([C@H](C)C(=O)[O-])C1 258133170 573803906 /nfs/dbraw/zinc/80/39/06/573803906.db2.gz PZDUNLLKKRLFIO-QMMMGPOBSA-N 0 0 183.251 1.359 10 0 ADAERN CC/C=C\C(=O)OCc1csnn1 308439465 573803910 /nfs/dbraw/zinc/80/39/10/573803910.db2.gz YHGDRHPSPZMIGX-ARJAWSKDSA-N 0 0 198.247 1.548 10 0 ADAERN CC(C)(CO)[C@@H]1OC1(C)C 238120740 573803915 /nfs/dbraw/zinc/80/39/15/573803915.db2.gz KRLOTOBDBGUZSG-LURJTMIESA-N 0 0 144.214 1.182 10 0 ADAERN COCC(=O)OC[C@H](C)CC(C)C 308443500 573803921 /nfs/dbraw/zinc/80/39/21/573803921.db2.gz ADDKMXRKPZWJDM-SECBINFHSA-N 0 0 188.267 1.858 10 0 ADAERN O=C1Nc2cccc(O)c2NC12CC2 259194795 573803950 /nfs/dbraw/zinc/80/39/50/573803950.db2.gz KIQVUCCIINFJLK-UHFFFAOYSA-N 0 0 190.202 1.289 10 0 ADAERN Cc1ccc(F)c(O)c1CCON 258133687 573803955 /nfs/dbraw/zinc/80/39/55/573803955.db2.gz RROUGNMPQHLUGP-UHFFFAOYSA-N 0 0 185.198 1.273 10 0 ADAERN CNOCCCc1ccco1 257878808 573803975 /nfs/dbraw/zinc/80/39/75/573803975.db2.gz FBGRHSWPRAOXQY-UHFFFAOYSA-N 0 0 155.197 1.363 10 0 ADAERN CNOC[C@@H]1CCCSC1 258428083 573803986 /nfs/dbraw/zinc/80/39/86/573803986.db2.gz CPYAAULCHNYRFF-ZETCQYMHSA-N 0 0 161.270 1.281 10 0 ADAERN COC(=O)[C@H]1C[C@@H]2COCC[C@H]2C1 259570789 573803998 /nfs/dbraw/zinc/80/39/98/573803998.db2.gz JFYHOLARMXKITG-DJLDLDEBSA-N 0 0 184.235 1.222 10 0 ADAERN Cc1cc(C2([NH3+])CC2)ccc1C(=O)[O-] 238516677 573804027 /nfs/dbraw/zinc/80/40/27/573804027.db2.gz WKTGIIYYVUDCEW-UHFFFAOYSA-N 0 0 191.230 1.641 10 0 ADAERN C[C@H](CCCC(=O)[O-])[NH+]1CC(C)(C)C1 122720199 573804031 /nfs/dbraw/zinc/80/40/31/573804031.db2.gz WWCAKGBEZRMQCW-SECBINFHSA-N 0 0 199.294 1.972 10 0 ADAERN CNOC[C@H]1CCCSC1 258428080 573804032 /nfs/dbraw/zinc/80/40/32/573804032.db2.gz CPYAAULCHNYRFF-SSDOTTSWSA-N 0 0 161.270 1.281 10 0 ADAERN COC[C@H](CO)C(=O)c1ccccc1 238353596 573804046 /nfs/dbraw/zinc/80/40/46/573804046.db2.gz AIQOMAWANJHSDC-JTQLQIEISA-N 0 0 194.230 1.124 10 0 ADAERN OC1([C@@H]2CCCCO2)CCC1 258135778 573804047 /nfs/dbraw/zinc/80/40/47/573804047.db2.gz VDIZRGMDWYQXDH-QMMMGPOBSA-N 0 0 156.225 1.471 10 0 ADAERN CCOC(=O)/C=C\c1cccnc1F 308439352 573804053 /nfs/dbraw/zinc/80/40/53/573804053.db2.gz XLFQNFVSYGQCTK-WAYWQWQTSA-N 0 0 195.193 1.797 10 0 ADAERN CC(=C/C#N)/C(C)=C\C#N 33844935 573804056 /nfs/dbraw/zinc/80/40/56/573804056.db2.gz NVTXFMSSZHCUII-VHOZIDCHSA-N 0 0 132.166 1.926 10 0 ADAERN Cc1ccc(N)c(OCCCCO)c1 43444935 573804086 /nfs/dbraw/zinc/80/40/86/573804086.db2.gz KJOPGRAYCYVZOJ-UHFFFAOYSA-N 0 0 195.262 1.729 10 0 ADAERN COC(=O)/C=C\[C@@H](O)c1ccccc1 213666967 573804093 /nfs/dbraw/zinc/80/40/93/573804093.db2.gz UHAABQMOQDTLEC-GQYWMQPJSA-N 0 0 192.214 1.449 10 0 ADAERN OCCCOc1ccc(O)cc1 43444465 573804098 /nfs/dbraw/zinc/80/40/98/573804098.db2.gz FWOAGZZVBIWDOY-UHFFFAOYSA-N 0 0 168.192 1.153 10 0 ADAERN CCC1([NH2+]C/C=C(\C)C(=O)[O-])CCC1 308439309 573804117 /nfs/dbraw/zinc/80/41/17/573804117.db2.gz WYPZXNXEGVFZFE-WEVVVXLNSA-N 0 0 197.278 1.940 10 0 ADAERN CC(=O)Nc1ccc2nnsc2c1 238120635 573804119 /nfs/dbraw/zinc/80/41/19/573804119.db2.gz POOUHUXDHHEWHL-UHFFFAOYSA-N 0 0 193.231 1.650 10 0 ADAERN C[C@]12CCC[C@@]1(O)CC[C@@H]2CCO 238516284 573804121 /nfs/dbraw/zinc/80/41/21/573804121.db2.gz ALFRFPUSEHREOP-GMTAPVOTSA-N 0 0 184.279 1.700 10 0 ADAERN OCCc1ncc(C2CCOCC2)o1 258132496 573804135 /nfs/dbraw/zinc/80/41/35/573804135.db2.gz QJVHIXLKHWCTKZ-UHFFFAOYSA-N 0 0 197.234 1.103 10 0 ADAERN Cc1cc(C=O)c(O)c(O)c1C 258428064 573804150 /nfs/dbraw/zinc/80/41/50/573804150.db2.gz CPMXMBQMKMFYAW-UHFFFAOYSA-N 0 0 166.176 1.527 10 0 ADAERN CCCN(C)C(=O)C1(CCO)CC1 308439052 573804163 /nfs/dbraw/zinc/80/41/63/573804163.db2.gz YDVVLNPLLHMRKT-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN Cc1c(N)c(O)cc2c1C(=O)CCC2 238515751 573804169 /nfs/dbraw/zinc/80/41/69/573804169.db2.gz SEVBHPMKZJUAKP-UHFFFAOYSA-N 0 0 191.230 1.802 10 0 ADAERN Cc1ncccc1OC[C@H](C)O 87154739 573804178 /nfs/dbraw/zinc/80/41/78/573804178.db2.gz NVIBBRWRDKYMFX-ZETCQYMHSA-N 0 0 167.208 1.150 10 0 ADAERN Cn1nc(CCO)c2ccccc21 84242961 573804179 /nfs/dbraw/zinc/80/41/79/573804179.db2.gz NWBJZDKKRJFGSH-UHFFFAOYSA-N 0 0 176.219 1.108 10 0 ADAERN CC(C)c1cc(N)cnn1 257878832 573804189 /nfs/dbraw/zinc/80/41/89/573804189.db2.gz FBYVNDCZVWXPTG-UHFFFAOYSA-N 0 0 137.186 1.182 10 0 ADAERN OCCCCOc1ccccc1O 43444468 573804193 /nfs/dbraw/zinc/80/41/93/573804193.db2.gz HPWMVBZCPIITRM-UHFFFAOYSA-N 0 0 182.219 1.544 10 0 ADAERN Cc1cc(CO)c2cccnc2n1 238528137 573804222 /nfs/dbraw/zinc/80/42/22/573804222.db2.gz JBQDXBUKYVGGCR-UHFFFAOYSA-N 0 0 174.203 1.431 10 0 ADAERN CC(=O)SCNc1nccs1 238127941 573804223 /nfs/dbraw/zinc/80/42/23/573804223.db2.gz FMQUTXAGMRSROQ-UHFFFAOYSA-N 0 0 188.277 1.792 10 0 ADAERN COC(=O)CCc1[nH]cc(C)c1C 238354036 573804233 /nfs/dbraw/zinc/80/42/33/573804233.db2.gz WBKPWLGYWBGXTN-UHFFFAOYSA-N 0 0 181.235 1.737 10 0 ADAERN C=Cc1ccnc(C(=O)[O-])c1C 209742597 573804243 /nfs/dbraw/zinc/80/42/43/573804243.db2.gz NGDPLFQZOYUWBQ-UHFFFAOYSA-N 0 0 163.176 1.731 10 0 ADAERN CC/C=C/COC(=O)[C@@H](C)COC 308443524 573804246 /nfs/dbraw/zinc/80/42/46/573804246.db2.gz AFFJJBBZHGGMOL-CYNONHLPSA-N 0 0 186.251 1.778 10 0 ADAERN COC[C@H](CO)CC[Si](C)(C)C 238353632 573804254 /nfs/dbraw/zinc/80/42/54/573804254.db2.gz XLUHZRZBZPTYJE-VIFPVBQESA-N 0 0 190.359 1.970 10 0 ADAERN NOCCc1cccc2c1CCCC2 258133762 573804321 /nfs/dbraw/zinc/80/43/21/573804321.db2.gz RTRCMAQEECKDCM-UHFFFAOYSA-N 0 0 191.274 1.998 10 0 ADAERN CCCc1nc([C@H](C)NC)no1 258135704 573804333 /nfs/dbraw/zinc/80/43/33/573804333.db2.gz UZYYLLSGICOOLZ-LURJTMIESA-N 0 0 169.228 1.303 10 0 ADAERN C[C@H](O)c1cnc(Cc2ccco2)o1 258133101 573804358 /nfs/dbraw/zinc/80/43/58/573804358.db2.gz PHVJGUUKHYCRML-ZETCQYMHSA-N 0 0 193.202 1.912 10 0 ADAERN O=C1OC[C@@H](CO)N1c1cccs1 258135175 573804366 /nfs/dbraw/zinc/80/43/66/573804366.db2.gz MJLDXAULXGAPFT-ZCFIWIBFSA-N 0 0 199.231 1.066 10 0 ADAERN COCCOC[C@@H](CO)C(C)(C)C 393563925 573804385 /nfs/dbraw/zinc/80/43/85/573804385.db2.gz FZVFQJGWWVMHQI-SECBINFHSA-N 0 0 190.283 1.304 10 0 ADAERN CC/C=C\C(=O)NC[C@H](C)CCO 308443515 573804402 /nfs/dbraw/zinc/80/44/02/573804402.db2.gz AEDBWEXRLDKWKN-XRVBUDJMSA-N 0 0 185.267 1.087 10 0 ADAERN O=C([O-])[C@@H]1C[C@@H]1[NH+]1CCCCCC1 259193863 573804406 /nfs/dbraw/zinc/80/44/06/573804406.db2.gz JTMYDCYXLIHDPO-BDAKNGLRSA-N 0 0 183.251 1.336 10 0 ADAERN CC1(c2cccc(N)c2)COC1 258958057 573804414 /nfs/dbraw/zinc/80/44/14/573804414.db2.gz ZPLBSSZLQABLNR-UHFFFAOYSA-N 0 0 163.220 1.557 10 0 ADAERN O=C1OC[C@H](CO)N1c1cccs1 258135171 573805208 /nfs/dbraw/zinc/80/52/08/573805208.db2.gz MJLDXAULXGAPFT-LURJTMIESA-N 0 0 199.231 1.066 10 0 ADAERN CN(CCC1CCC1)C(=O)CCO 258956924 573805213 /nfs/dbraw/zinc/80/52/13/573805213.db2.gz XHZMCBOJARYTMM-UHFFFAOYSA-N 0 0 185.267 1.017 10 0 ADAERN Cc1cc(C)nc(C(C)(C)O)n1 259193889 573805254 /nfs/dbraw/zinc/80/52/54/573805254.db2.gz VWCSSAHAFBGJOL-UHFFFAOYSA-N 0 0 166.224 1.321 10 0 ADAERN c1ccc2c(c1)NC1=NCC[C@@H]12 238120465 573805263 /nfs/dbraw/zinc/80/52/63/573805263.db2.gz JPJMPZVAINKOAH-MRVPVSSYSA-N 0 0 158.204 1.998 10 0 ADAERN CCc1coc(C(C)(C)O)n1 259194032 573805268 /nfs/dbraw/zinc/80/52/68/573805268.db2.gz IWYCDARQUACOOI-UHFFFAOYSA-N 0 0 155.197 1.464 10 0 ADAERN CCn1nc(C)cc1CC(N)=S 84244872 573805283 /nfs/dbraw/zinc/80/52/83/573805283.db2.gz XNRNALOWEFBEEM-UHFFFAOYSA-N 0 0 183.280 1.040 10 0 ADAERN CC(C)Cn1ncc(N)c1F 259194036 573805312 /nfs/dbraw/zinc/80/53/12/573805312.db2.gz IWYYODAZKJJPGE-UHFFFAOYSA-N 0 0 157.192 1.260 10 0 ADAERN C[N@H+]1CC=C(CC(C)(C)C(=O)[O-])CC1 258135632 573805314 /nfs/dbraw/zinc/80/53/14/573805314.db2.gz QBXYPWIXRZAIPG-UHFFFAOYSA-N 0 0 197.278 1.749 10 0 ADAERN CC(=O)Nn1ncc2ccccc21 238128299 573805322 /nfs/dbraw/zinc/80/53/22/573805322.db2.gz LJTSESZMHGQZDZ-UHFFFAOYSA-N 0 0 175.191 1.126 10 0 ADAERN C[C@H](O)Cc1nn(C)c2ccccc12 84242944 573805332 /nfs/dbraw/zinc/80/53/32/573805332.db2.gz GXVAZBAPSXUCKA-QMMMGPOBSA-N 0 0 190.246 1.497 10 0 ADAERN CC1(N2C[C@@H](CO)CC2=O)CCCC1 84234720 573805343 /nfs/dbraw/zinc/80/53/43/573805343.db2.gz GTEOYMSVGJUZQG-VIFPVBQESA-N 0 0 197.278 1.160 10 0 ADAERN Nc1cnc(-c2ccccc2)nc1C=O 214966406 573805346 /nfs/dbraw/zinc/80/53/46/573805346.db2.gz CEIRBQWSUQAQHD-UHFFFAOYSA-N 0 0 199.213 1.538 10 0 ADAERN Cc1ccc(N(C)CO)c(C)c1 258957840 573805347 /nfs/dbraw/zinc/80/53/47/573805347.db2.gz SLMVCOWRYWIMBO-UHFFFAOYSA-N 0 0 165.236 1.689 10 0 ADAERN O=Cc1nc(Cl)c2c(n1)NCCC2 238515727 573805349 /nfs/dbraw/zinc/80/53/49/573805349.db2.gz BGLCMROKBMHCRK-UHFFFAOYSA-N 0 0 197.625 1.301 10 0 ADAERN COC(=O)[C@@H]1C[C@H]2CCOC[C@@H]2C1 259570791 573804543 /nfs/dbraw/zinc/80/45/43/573804543.db2.gz JFYHOLARMXKITG-HLTSFMKQSA-N 0 0 184.235 1.222 10 0 ADAERN CC(=O)N[C@@H]1CO[C@@H]1c1ccccc1 238120464 573804579 /nfs/dbraw/zinc/80/45/79/573804579.db2.gz UBXZDXOBVPXQAK-GHMZBOCLSA-N 0 0 191.230 1.263 10 0 ADAERN C=Cc1c(C)cc[nH]c1=O 209742008 573804584 /nfs/dbraw/zinc/80/45/84/573804584.db2.gz VBLHQIUGYAMIHL-UHFFFAOYSA-N 0 0 135.166 1.326 10 0 ADAERN O[C@@H]1CCC[C@@H]1CNc1nccs1 84233879 573804606 /nfs/dbraw/zinc/80/46/06/573804606.db2.gz QELVROFESQORKQ-HTQZYQBOSA-N 0 0 198.291 1.716 10 0 ADAERN C[C@@H](N1CCC(=O)CC1=O)C(C)(C)C 122710941 573804627 /nfs/dbraw/zinc/80/46/27/573804627.db2.gz JDVRTTXSRWFPKY-MRVPVSSYSA-N 0 0 197.278 1.613 10 0 ADAERN CC/C=C\COC(=O)[C@H](C)COC 308443525 573804634 /nfs/dbraw/zinc/80/46/34/573804634.db2.gz AFFJJBBZHGGMOL-SSJHQANKSA-N 0 0 186.251 1.778 10 0 ADAERN Nc1cnnc(C[C@@H]2CCCCO2)c1 259571240 573804643 /nfs/dbraw/zinc/80/46/43/573804643.db2.gz XJZKRQKXPBDGQV-JTQLQIEISA-N 0 0 193.250 1.170 10 0 ADAERN COc1c(O)ccc(C)c1CNO 258131418 573804648 /nfs/dbraw/zinc/80/46/48/573804648.db2.gz ROAMQJCAECFWKD-UHFFFAOYSA-N 0 0 183.207 1.188 10 0 ADAERN CC/C=C/C(=O)OCc1csnn1 308439467 573804651 /nfs/dbraw/zinc/80/46/51/573804651.db2.gz YHGDRHPSPZMIGX-ONEGZZNKSA-N 0 0 198.247 1.548 10 0 ADAERN Cc1cc(C)c(NC(=O)CO)cc1C 258957106 573804682 /nfs/dbraw/zinc/80/46/82/573804682.db2.gz XMMLNTBUIPVFKJ-UHFFFAOYSA-N 0 0 193.246 1.543 10 0 ADAERN Cc1nccnc1C(=O)C=CO 394325657 573804685 /nfs/dbraw/zinc/80/46/85/573804685.db2.gz LNTRWLRGUFBJPK-DJWKRKHSSA-N 0 0 164.164 1.039 10 0 ADAERN CCN(C)c1ccc2oc(=O)[nH]c2c1 258957266 573804689 /nfs/dbraw/zinc/80/46/89/573804689.db2.gz AKADCZBLEDXZFN-UHFFFAOYSA-N 0 0 192.218 1.577 10 0 ADAERN CC(C)OCc1cc(N)n(C(C)C)n1 257878835 573804732 /nfs/dbraw/zinc/80/47/32/573804732.db2.gz GRFLQKLFKXEFAU-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN C[C@@H]1CC(c2ccncc2)=NNC1=N 84240118 573804746 /nfs/dbraw/zinc/80/47/46/573804746.db2.gz SACDTVWRFLIERQ-SSDOTTSWSA-N 0 0 188.234 1.183 10 0 ADAERN COC(=O)C1(C2CCOCC2)CCC1 259191736 573804804 /nfs/dbraw/zinc/80/48/04/573804804.db2.gz KJQVAZBDGJXZHG-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN C[C@]1(C[NH3+])Oc2ccc(F)cc2O1 258132646 573804806 /nfs/dbraw/zinc/80/48/06/573804806.db2.gz KMBCXCOZQIWEFI-VIFPVBQESA-N 0 0 183.182 1.272 10 0 ADAERN Cc1nc(Cl)c2n1C[C@H](O)CC2 258135069 573804817 /nfs/dbraw/zinc/80/48/17/573804817.db2.gz GOVUAMKLTAIOMD-ZCFIWIBFSA-N 0 0 186.642 1.152 10 0 ADAERN CC(=O)CNc1cc[nH]c1 258957871 573804818 /nfs/dbraw/zinc/80/48/18/573804818.db2.gz SMKRYDONCINFSS-UHFFFAOYSA-N 0 0 138.170 1.016 10 0 ADAERN CC1(N2C[C@H](CO)CC2=O)CCCC1 84234715 573804870 /nfs/dbraw/zinc/80/48/70/573804870.db2.gz GTEOYMSVGJUZQG-SECBINFHSA-N 0 0 197.278 1.160 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](CCO)N2 258135606 573804875 /nfs/dbraw/zinc/80/48/75/573804875.db2.gz QBTNARSWDINRMW-SNVBAGLBSA-N 0 0 177.247 1.714 10 0 ADAERN C[NH+]1CCC(c2cnc(N)o2)CC1 259192157 573804893 /nfs/dbraw/zinc/80/48/93/573804893.db2.gz PRIHVVRRRRHWPQ-UHFFFAOYSA-N 0 0 181.239 1.066 10 0 ADAERN Nc1ccccc1C[C@H]1CCOC1 257878805 573804909 /nfs/dbraw/zinc/80/49/09/573804909.db2.gz LPZUJJQNDNGLIL-SECBINFHSA-N 0 0 177.247 1.848 10 0 ADAERN CC(C)OC1(CO)CCCC1 258959417 573804919 /nfs/dbraw/zinc/80/49/19/573804919.db2.gz BRLWKUTXPVEUFW-UHFFFAOYSA-N 0 0 158.241 1.717 10 0 ADAERN Nc1ccc(-c2cccc(O)c2)[nH]1 258134845 573804935 /nfs/dbraw/zinc/80/49/35/573804935.db2.gz OCYOEOFFLVBKCQ-UHFFFAOYSA-N 0 0 174.203 1.970 10 0 ADAERN Cc1c[nH]nc1CNC(=O)OC(C)C 716791623 573804946 /nfs/dbraw/zinc/80/49/46/573804946.db2.gz AMSHBGNTASSLSJ-UHFFFAOYSA-N 0 0 197.238 1.353 10 0 ADAERN C=Cc1ncnn1C(C)C 259193628 573804948 /nfs/dbraw/zinc/80/49/48/573804948.db2.gz IUYLMCFOASJVIK-UHFFFAOYSA-N 0 0 137.186 1.502 10 0 ADAERN C[C@H](O)Cc1ccc(N(C)C)c(F)c1 258133717 573805026 /nfs/dbraw/zinc/80/50/26/573805026.db2.gz RSRFVWIJBDEJIN-QMMMGPOBSA-N 0 0 197.253 1.815 10 0 ADAERN NC1=NO[C@H](C2CCCC2)C1 258428137 573805084 /nfs/dbraw/zinc/80/50/84/573805084.db2.gz CRQAIYKFDJPYBY-ZETCQYMHSA-N 0 0 154.213 1.238 10 0 ADAERN C=Cc1cc(O)cnc1C 209742449 573805116 /nfs/dbraw/zinc/80/51/16/573805116.db2.gz RVSSFNBWYMACPE-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN Nc1cccnc1SCCCCO 43444908 573805150 /nfs/dbraw/zinc/80/51/50/573805150.db2.gz UCTVMOUXBTVHIZ-UHFFFAOYSA-N 0 0 198.291 1.528 10 0 ADAERN Cc1ccc(OCCCCO)c(N)c1 43444950 573805157 /nfs/dbraw/zinc/80/51/57/573805157.db2.gz HOBKHBMMEDXDPV-UHFFFAOYSA-N 0 0 195.262 1.729 10 0 ADAERN CC(C)C[C@H](NN)c1csnn1 127250365 573805169 /nfs/dbraw/zinc/80/51/69/573805169.db2.gz KWVHLNLRVMNNSJ-LURJTMIESA-N 0 0 186.284 1.089 10 0 ADAERN Cc1cc(CO)n2nccc2c1 238528287 573805204 /nfs/dbraw/zinc/80/52/04/573805204.db2.gz WAZFVXOESZLWHS-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN Cc1ccc([C@@H]2CC[NH2+]2)c(C(=O)[O-])c1 238515883 573806778 /nfs/dbraw/zinc/80/67/78/573806778.db2.gz VIQUVWWPRXKBRR-JTQLQIEISA-N 0 0 191.230 1.728 10 0 ADAERN COC(=O)CCC1(C2CCC2)COC1 259195247 573806799 /nfs/dbraw/zinc/80/67/99/573806799.db2.gz KOMKFWLDGLDSPJ-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN CCCCOC(=O)C[S@@](=O)CC 43447713 573806807 /nfs/dbraw/zinc/80/68/07/573806807.db2.gz DXEKFHPOOMYXJX-GFCCVEGCSA-N 0 0 192.280 1.098 10 0 ADAERN Cc1cc(CO)n(C2CC2)n1 238528235 573806808 /nfs/dbraw/zinc/80/68/08/573806808.db2.gz YJLCFASJTXBHND-UHFFFAOYSA-N 0 0 152.197 1.019 10 0 ADAERN Cc1nn(C)c2c1[C@@H](O)CCS2 238515579 573806812 /nfs/dbraw/zinc/80/68/12/573806812.db2.gz XLNYWJAZCLUGGU-LURJTMIESA-N 0 0 184.264 1.258 10 0 ADAERN CCO[C@@H](c1noc(N)n1)C(C)(C)C 131286793 573806816 /nfs/dbraw/zinc/80/68/16/573806816.db2.gz AZWWZDRAYYIIMX-LURJTMIESA-N 0 0 199.254 1.776 10 0 ADAERN Cc1nc(N)oc1-c1ccc(O)cc1 257882350 573806832 /nfs/dbraw/zinc/80/68/32/573806832.db2.gz VQOATBRNAIQRMY-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN Cc1c([C@H](CC(C)C)NN)cnn1C 127271268 573806836 /nfs/dbraw/zinc/80/68/36/573806836.db2.gz FYBMRIPCPXFGPG-JTQLQIEISA-N 0 0 196.298 1.279 10 0 ADAERN Cn1ccc(Nc2ccc(O)cn2)n1 238515538 573806850 /nfs/dbraw/zinc/80/68/50/573806850.db2.gz PCEAFYBSQYIGJQ-UHFFFAOYSA-N 0 0 190.206 1.264 10 0 ADAERN CCc1cc(CC(C)=O)n(C)n1 84263689 573806853 /nfs/dbraw/zinc/80/68/53/573806853.db2.gz ZDYSPPNIZBJVCH-UHFFFAOYSA-N 0 0 166.224 1.114 10 0 ADAERN CC(C)(CO)[C@@H]1CC[C@](C)(O)C1 238120403 573806854 /nfs/dbraw/zinc/80/68/54/573806854.db2.gz JAZZJVQZAABLNX-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN COc1cc(C)c(O)cc1[C@H](C)O 258138470 573806898 /nfs/dbraw/zinc/80/68/98/573806898.db2.gz SCXQSQJQOXAKRT-ZETCQYMHSA-N 0 0 182.219 1.763 10 0 ADAERN CCC(CC)[C@@]1(O)CCOC1 87158509 573806900 /nfs/dbraw/zinc/80/69/00/573806900.db2.gz TYBQQRHWZHTOTO-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CCCc1cc(C[NH3+])nn1C(C)C 257878872 573806937 /nfs/dbraw/zinc/80/69/37/573806937.db2.gz LQIMZFWWOPKTTC-UHFFFAOYSA-N 0 0 181.283 1.875 10 0 ADAERN CC[C@H](C)[C@H](O)Cc1cc(C)nn1C 84262459 573806954 /nfs/dbraw/zinc/80/69/54/573806954.db2.gz JPDPCEQXCMINLV-GZMMTYOYSA-N 0 0 196.294 1.678 10 0 ADAERN C=Cc1nc(N)c(C)cc1O 209746575 573806960 /nfs/dbraw/zinc/80/69/60/573806960.db2.gz WDERUSYTXNVQST-UHFFFAOYSA-N 0 0 150.181 1.321 10 0 ADAERN CC(C)C1CC(N2C[C@H](O)CC2=O)C1 714749696 573806993 /nfs/dbraw/zinc/80/69/93/573806993.db2.gz ZWNDATKWQBVHQW-UDNWOFFPSA-N 0 0 197.278 1.014 10 0 ADAERN CCC[C@@H](C)C[C@H](O)CCCO 233272308 573806998 /nfs/dbraw/zinc/80/69/98/573806998.db2.gz MKAFKDJBTKPUBQ-NXEZZACHSA-N 0 0 174.284 1.946 10 0 ADAERN CO[C@H]1C[C@@H](OC(=O)C=C(C)C)C1 308443883 573807008 /nfs/dbraw/zinc/80/70/08/573807008.db2.gz AJPNFOHESOJOFE-DTORHVGOSA-N 0 0 184.235 1.673 10 0 ADAERN Cc1nc(Cl)nc2oncc12 258430471 573807012 /nfs/dbraw/zinc/80/70/12/573807012.db2.gz CWONYENTNMMLBT-UHFFFAOYSA-N 0 0 169.571 1.580 10 0 ADAERN COc1cc(C)c(O)c([C@H](C)CO)c1 258138698 573807022 /nfs/dbraw/zinc/80/70/22/573807022.db2.gz SGXIOKPWMJFANQ-MRVPVSSYSA-N 0 0 196.246 1.805 10 0 ADAERN Cc1cc(C[C@H](O)C(C)(C)C)n(C)n1 84262915 573807024 /nfs/dbraw/zinc/80/70/24/573807024.db2.gz HBCIQRRJBZCZPC-JTQLQIEISA-N 0 0 196.294 1.678 10 0 ADAERN C[C@@H](CO)c1c(O)ccc2c1CCC2 258136149 573807081 /nfs/dbraw/zinc/80/70/81/573807081.db2.gz RYAAHXSNCJOQKC-QMMMGPOBSA-N 0 0 192.258 1.977 10 0 ADAERN COCNc1ccc2[nH]cnc2c1 259195272 573807089 /nfs/dbraw/zinc/80/70/89/573807089.db2.gz WFFMSGJUJHQIMM-UHFFFAOYSA-N 0 0 177.207 1.579 10 0 ADAERN Nc1c(F)cccc1[C@H](O)CCCO 257879240 573807092 /nfs/dbraw/zinc/80/70/92/573807092.db2.gz RUQIVRJPCGHVQS-SECBINFHSA-N 0 0 199.225 1.214 10 0 ADAERN C[C@@H]1C(=O)C[C@@H]2OCC[C@H]21 238516807 573807104 /nfs/dbraw/zinc/80/71/04/573807104.db2.gz REVPERYEDYQLPZ-HAFWLYHUSA-N 0 0 140.182 1.000 10 0 ADAERN OCCN1CCNc2ccc(F)cc21 258138379 573807110 /nfs/dbraw/zinc/80/71/10/573807110.db2.gz MFQYOIMBJOURMO-UHFFFAOYSA-N 0 0 196.225 1.050 10 0 ADAERN Cc1nsc2ccc(CON)cc12 258136177 573807116 /nfs/dbraw/zinc/80/71/16/573807116.db2.gz RYLNCYCDKYPDTN-UHFFFAOYSA-N 0 0 194.259 1.995 10 0 ADAERN Clc1nnnn1C1CCCC1 238528215 573807139 /nfs/dbraw/zinc/80/71/39/573807139.db2.gz XOAOCOKVEZCJBD-UHFFFAOYSA-N 0 0 172.619 1.442 10 0 ADAERN C[NH2+]Cc1coc(CC(C)(C)C)n1 257882924 573807143 /nfs/dbraw/zinc/80/71/43/573807143.db2.gz ALBGDJYTRIDTLG-UHFFFAOYSA-N 0 0 182.267 1.983 10 0 ADAERN CC[N@@H+]1CCCC[C@H]1C/C=C\C(=O)[O-] 258136499 573807161 /nfs/dbraw/zinc/80/71/61/573807161.db2.gz JLDPUWAQEMKKSH-NVDWLVSRSA-N 0 0 197.278 1.892 10 0 ADAERN C[C@@H]1C=C[C@@H](O)CS1 238516656 573807163 /nfs/dbraw/zinc/80/71/63/573807163.db2.gz BCQGANIZMJCQJG-PHDIDXHHSA-N 0 0 130.212 1.039 10 0 ADAERN CCCC(=O)C1(CO)CC1 259195965 573807182 /nfs/dbraw/zinc/80/71/82/573807182.db2.gz OGHSOFJHDSVSPG-UHFFFAOYSA-N 0 0 142.198 1.128 10 0 ADAERN O=Cc1cnoc1[C@@H]1CCCO1 259197480 573807189 /nfs/dbraw/zinc/80/71/89/573807189.db2.gz KNTOYSSJXRKGKI-ZETCQYMHSA-N 0 0 167.164 1.339 10 0 ADAERN CCCCNCC(=O)OC(C)C 43446132 573807214 /nfs/dbraw/zinc/80/72/14/573807214.db2.gz KTRRWUXYFHHHGY-UHFFFAOYSA-N 0 0 173.256 1.328 10 0 ADAERN O=C1C[C@H]2[C@@H](C1)C2(Cl)Cl 238516329 573807216 /nfs/dbraw/zinc/80/72/16/573807216.db2.gz QXIJKAGNTZUDDE-SYDPRGILSA-N 0 0 165.019 1.769 10 0 ADAERN CC[N@@H+]1CCCC[C@@H]1C/C=C\C(=O)[O-] 258136497 573807217 /nfs/dbraw/zinc/80/72/17/573807217.db2.gz JLDPUWAQEMKKSH-DAGBOUIGSA-N 0 0 197.278 1.892 10 0 ADAERN COC(=O)[C@H](CO)c1cccc(F)c1 258138388 573807234 /nfs/dbraw/zinc/80/72/34/573807234.db2.gz MFWHSXGWEWXBMK-SECBINFHSA-N 0 0 198.193 1.075 10 0 ADAERN CCCOC[C@H](O)c1ncccc1F 131264762 573807282 /nfs/dbraw/zinc/80/72/82/573807282.db2.gz CHIJTPSISMPZPL-VIFPVBQESA-N 0 0 199.225 1.681 10 0 ADAERN CCCC(=O)NC[C@@H]1C[C@@H]1C1CC1 393591099 573807291 /nfs/dbraw/zinc/80/72/91/573807291.db2.gz PCTULMOSKSQPNN-VHSXEESVSA-N 0 0 181.279 1.949 10 0 ADAERN CCCCCNCC(=O)OC(C)C 43446098 573807293 /nfs/dbraw/zinc/80/72/93/573807293.db2.gz UWMHJEVIHBKGAE-UHFFFAOYSA-N 0 0 187.283 1.718 10 0 ADAERN C[C@@H](O)[C@@H]1Cc2cc(O)ccc2N1 258137471 573807307 /nfs/dbraw/zinc/80/73/07/573807307.db2.gz QCPPUDJAYDNSPK-LDWIPMOCSA-N 0 0 179.219 1.110 10 0 ADAERN O=c1[nH]n(C2CCC2)c2c1COCC2 257882511 573807326 /nfs/dbraw/zinc/80/73/26/573807326.db2.gz VSJXZNWAIJTWOQ-UHFFFAOYSA-N 0 0 194.234 1.386 10 0 ADAERN Cc1ccc(CON)c(O)c1Cl 258136079 573807330 /nfs/dbraw/zinc/80/73/30/573807330.db2.gz RVYDHBUTRLONAY-UHFFFAOYSA-N 0 0 187.626 1.744 10 0 ADAERN Cc1cc([C@@H](CC(C)C)NN)n(C)n1 127280306 573807340 /nfs/dbraw/zinc/80/73/40/573807340.db2.gz LNVADWQMBPVMKK-SECBINFHSA-N 0 0 196.298 1.279 10 0 ADAERN C[C@@H](O)c1cnc([C@@H]2CCOC2)o1 258137467 573807341 /nfs/dbraw/zinc/80/73/41/573807341.db2.gz PQBHLZRXUBQREH-RNFRBKRXSA-N 0 0 183.207 1.232 10 0 ADAERN OC1(Cc2ccc3ocnc3c2)CC1 258138635 573807345 /nfs/dbraw/zinc/80/73/45/573807345.db2.gz SFIHPIHLOGVXCA-UHFFFAOYSA-N 0 0 189.214 1.895 10 0 ADAERN O=C(Cc1ncccn1)c1cc[nH]c1 259197232 573807357 /nfs/dbraw/zinc/80/73/57/573807357.db2.gz QACHDYRRYLOIQT-UHFFFAOYSA-N 0 0 187.202 1.230 10 0 ADAERN C[NH2+][C@@H](c1cccs1)[C@@H](C)C(=O)[O-] 259195814 573807371 /nfs/dbraw/zinc/80/73/71/573807371.db2.gz FCWMJZTZXZVHCU-HTRCEHHLSA-N 0 0 199.275 1.729 10 0 ADAERN ONCc1ccc(C2CSC2)cc1 258136269 573807397 /nfs/dbraw/zinc/80/73/97/573807397.db2.gz SBKGEJPPGQGTSN-UHFFFAOYSA-N 0 0 195.287 1.996 10 0 ADAERN Nc1ccc(F)cc1CCCO 258429972 573807455 /nfs/dbraw/zinc/80/74/55/573807455.db2.gz CSRHCNBUAFBOOL-UHFFFAOYSA-N 0 0 169.199 1.333 10 0 ADAERN C[C@@H](O)c1cnc([C@H]2CCCCN2)o1 257879754 573807475 /nfs/dbraw/zinc/80/74/75/573807475.db2.gz AFRLBTINTAIDPG-HTQZYQBOSA-N 0 0 196.250 1.543 10 0 ADAERN COc1cc(C)c(O)c([C@@H](C)CO)c1 258138701 573807478 /nfs/dbraw/zinc/80/74/78/573807478.db2.gz SGXIOKPWMJFANQ-QMMMGPOBSA-N 0 0 196.246 1.805 10 0 ADAERN COc1c(CCCO)ccc(C)c1O 258136181 573807498 /nfs/dbraw/zinc/80/74/98/573807498.db2.gz RYNMPIKZUMBUFT-UHFFFAOYSA-N 0 0 196.246 1.634 10 0 ADAERN Nc1[nH]cc(-c2cccc(O)c2)[nH+]1 257878918 573807512 /nfs/dbraw/zinc/80/75/12/573807512.db2.gz LQMZPTVALBWNFC-UHFFFAOYSA-N 0 0 175.191 1.365 10 0 ADAERN NOCCc1c(F)ccc(F)c1F 258138628 573807518 /nfs/dbraw/zinc/80/75/18/573807518.db2.gz SFEDWMDDCZQHCW-UHFFFAOYSA-N 0 0 191.152 1.537 10 0 ADAERN CCOC(=O)CN(C)c1cc[nH]c1 259195217 573807523 /nfs/dbraw/zinc/80/75/23/573807523.db2.gz WDOHVSPYTSAOOO-UHFFFAOYSA-N 0 0 182.223 1.014 10 0 ADAERN CO[C@H](/C=C\c1ccccc1)CO 222004171 573807526 /nfs/dbraw/zinc/80/75/26/573807526.db2.gz DZMLZLJWDQKBRL-SKVAFPRGSA-N 0 0 178.231 1.707 10 0 ADAERN Cc1cnc([C@H](CC(C)C)NN)cn1 127275418 573807539 /nfs/dbraw/zinc/80/75/39/573807539.db2.gz SMNRBWCCSHGTMI-VIFPVBQESA-N 0 0 194.282 1.336 10 0 ADAERN C[C@@](F)(C[NH3+])COc1ccccc1O 257882737 573807576 /nfs/dbraw/zinc/80/75/76/573807576.db2.gz SGONYPRBGZXPJL-SNVBAGLBSA-N 0 0 199.225 1.458 10 0 ADAERN C=Cc1[nH]ccc(=O)c1C 209747361 573808306 /nfs/dbraw/zinc/80/83/06/573808306.db2.gz CZWMVTXVDRSUIG-UHFFFAOYSA-N 0 0 135.166 1.326 10 0 ADAERN Cc1c([C@@H](CC(C)C)NN)cnn1C 127271088 573808307 /nfs/dbraw/zinc/80/83/07/573808307.db2.gz FYBMRIPCPXFGPG-SNVBAGLBSA-N 0 0 196.298 1.279 10 0 ADAERN Cc1c(N)ncc(C(F)F)c1C=O 238528776 573808320 /nfs/dbraw/zinc/80/83/20/573808320.db2.gz JUZAJSPWXABCEP-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1nc([C@@H]2C[C@@H]2CO)co1 238529365 573808327 /nfs/dbraw/zinc/80/83/27/573808327.db2.gz VSDFCOWIYJCTGV-RNFRBKRXSA-N 0 0 153.181 1.079 10 0 ADAERN CN(CO)Cc1coc2ccccc12 258955612 573808337 /nfs/dbraw/zinc/80/83/37/573808337.db2.gz SAAMHXYHNUEISF-UHFFFAOYSA-N 0 0 191.230 1.814 10 0 ADAERN CC(=O)C[C@@]1(C)CC[C@@]1(C)O 238123109 573808338 /nfs/dbraw/zinc/80/83/38/573808338.db2.gz YCVTYXLAQWRPFN-RKDXNWHRSA-N 0 0 156.225 1.517 10 0 ADAERN CSCC[C@H](CC(C)C)NN 127269074 573808340 /nfs/dbraw/zinc/80/83/40/573808340.db2.gz YHXBACQHDNWDAB-MRVPVSSYSA-N 0 0 176.329 1.618 10 0 ADAERN C[NH2+][C@@H](c1cccs1)[C@H](C)C(=O)[O-] 259195818 573808359 /nfs/dbraw/zinc/80/83/59/573808359.db2.gz FCWMJZTZXZVHCU-POYBYMJQSA-N 0 0 199.275 1.729 10 0 ADAERN Cc1c(N)ncc2ccncc12 238529602 573808360 /nfs/dbraw/zinc/80/83/60/573808360.db2.gz SZMSKINDCBAWKH-UHFFFAOYSA-N 0 0 159.192 1.520 10 0 ADAERN COc1cc(F)cc([C@@H](C)CO)c1 258138734 573808393 /nfs/dbraw/zinc/80/83/93/573808393.db2.gz SHSPJNQAPNRBGF-ZETCQYMHSA-N 0 0 184.210 1.930 10 0 ADAERN CN1C[C@@H](c2ccc(O)cc2)NC1=O 257882612 573807589 /nfs/dbraw/zinc/80/75/89/573807589.db2.gz VTJTWUKMYILEFI-VIFPVBQESA-N 0 0 192.218 1.088 10 0 ADAERN CC(C)(C)c1cn(CO)c(=S)[nH]1 238128799 573807599 /nfs/dbraw/zinc/80/75/99/573807599.db2.gz FEKPPWIEBZTFKZ-UHFFFAOYSA-N 0 0 186.280 1.793 10 0 ADAERN C[N@@H+]1CC[C@H](C[C@H](C(=O)[O-])C2CC2)C1 258138010 573807605 /nfs/dbraw/zinc/80/76/05/573807605.db2.gz QUMSBLCLDMLOCV-SCZZXKLOSA-N 0 0 197.278 1.439 10 0 ADAERN COCc1cc(F)ccc1CCON 258139044 573807623 /nfs/dbraw/zinc/80/76/23/573807623.db2.gz NTCRJDOBWIZYKN-UHFFFAOYSA-N 0 0 199.225 1.405 10 0 ADAERN C[C@H]1C[C@@]1(CO)c1cc[nH]c1 258955841 573807644 /nfs/dbraw/zinc/80/76/44/573807644.db2.gz FVLSDGGMAYTMIR-CBAPKCEASA-N 0 0 151.209 1.285 10 0 ADAERN CC(=O)c1c(CO)[nH]c2ccccc12 238121036 573807649 /nfs/dbraw/zinc/80/76/49/573807649.db2.gz MLYBPKTWGRRFBN-UHFFFAOYSA-N 0 0 189.214 1.863 10 0 ADAERN CC(=O)Oc1ccc2c(c1)C(=O)CO2 238123522 573807666 /nfs/dbraw/zinc/80/76/66/573807666.db2.gz ZDASJKYELQBFLI-UHFFFAOYSA-N 0 0 192.170 1.187 10 0 ADAERN CCc1sc(CCO)nc1C 258955283 573807668 /nfs/dbraw/zinc/80/76/68/573807668.db2.gz ZHGPJWBZUZTEEA-UHFFFAOYSA-N 0 0 171.265 1.549 10 0 ADAERN C[NH2+]Cc1coc([C@@H]2CCCO2)n1 257882936 573808403 /nfs/dbraw/zinc/80/84/03/573808403.db2.gz ALFZBKFLZCKLEJ-QMMMGPOBSA-N 0 0 182.223 1.246 10 0 ADAERN OC1([C@H]2CCSC2)CCC1 257882641 573807687 /nfs/dbraw/zinc/80/76/87/573807687.db2.gz BNCDRWXUGKKJLD-ZETCQYMHSA-N 0 0 158.266 1.655 10 0 ADAERN Cc1cc(CC(=O)[C@@H]2C[C@H]2C)n(C)n1 84264111 573807718 /nfs/dbraw/zinc/80/77/18/573807718.db2.gz GNVUBWUBWSHIHC-GMSGAONNSA-N 0 0 192.262 1.496 10 0 ADAERN Cc1cc(CC(=O)[C@H]2C[C@H]2C)n(C)n1 84264112 573807727 /nfs/dbraw/zinc/80/77/27/573807727.db2.gz GNVUBWUBWSHIHC-XCBNKYQSSA-N 0 0 192.262 1.496 10 0 ADAERN C=Cc1cncc(N)c1C 209746445 573807741 /nfs/dbraw/zinc/80/77/41/573807741.db2.gz DASGWXBQMHPHQW-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN CCOCCC[C@H](CC(C)C)NN 127263802 573807749 /nfs/dbraw/zinc/80/77/49/573807749.db2.gz VGMICDYEJZTAJN-SNVBAGLBSA-N 0 0 188.315 1.681 10 0 ADAERN CC(C)=C1CC[C@@](C)(C(N)=O)C1 238122107 573807753 /nfs/dbraw/zinc/80/77/53/573807753.db2.gz MPSFHRRZUVGKFY-SNVBAGLBSA-N 0 0 167.252 1.998 10 0 ADAERN CN(C)[C@@H](NN)c1ccc(Cl)cc1 259195858 573807762 /nfs/dbraw/zinc/80/77/62/573807762.db2.gz OEFTYFDCXUAYPK-SECBINFHSA-N 0 0 199.685 1.364 10 0 ADAERN Oc1cccc(C[C@H]2CCOC2)c1 257882169 573807764 /nfs/dbraw/zinc/80/77/64/573807764.db2.gz MFDWIHZBSQRJEF-SNVBAGLBSA-N 0 0 178.231 1.971 10 0 ADAERN C[C@@H](O)c1cnc([C@@H]2CCCCN2)o1 257879758 573807780 /nfs/dbraw/zinc/80/77/80/573807780.db2.gz AFRLBTINTAIDPG-SFYZADRCSA-N 0 0 196.250 1.543 10 0 ADAERN C[N@@H+]1CC[C@@H](C[C@H](C(=O)[O-])C2CC2)C1 258138020 573807783 /nfs/dbraw/zinc/80/77/83/573807783.db2.gz QUMSBLCLDMLOCV-WPRPVWTQSA-N 0 0 197.278 1.439 10 0 ADAERN CC(C)CC[C@H](C)N1C(=O)CN[C@H]1C 127288355 573807789 /nfs/dbraw/zinc/80/77/89/573807789.db2.gz WYWAIHBZHKMIAU-VHSXEESVSA-N 0 0 198.310 1.589 10 0 ADAERN Cc1c(C(F)F)cc(=O)[nH]c1N 238528400 573807802 /nfs/dbraw/zinc/80/78/02/573807802.db2.gz NMTRILWBHUBVIP-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN CCC(CC)[C@]1(C(=O)[O-])CC[NH2+]C1 87158252 573807809 /nfs/dbraw/zinc/80/78/09/573807809.db2.gz UJOUFLXIDLJFJY-JTQLQIEISA-N 0 0 185.267 1.487 10 0 ADAERN C=C/C=C/NC(=O)C(C)(C)C 238123232 573807821 /nfs/dbraw/zinc/80/78/21/573807821.db2.gz IFLQIDAVWCPGAL-VOTSOKGWSA-N 0 0 153.225 1.848 10 0 ADAERN C=Cc1ncc(O)cc1C 209743191 573807828 /nfs/dbraw/zinc/80/78/28/573807828.db2.gz YLLNUBQKCJRDAZ-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN COc1c(C=O)ccc2onc(C)c12 259571500 573807832 /nfs/dbraw/zinc/80/78/32/573807832.db2.gz WINBACDPXZWKCS-UHFFFAOYSA-N 0 0 191.186 1.957 10 0 ADAERN CC(=O)C[C@@]12CCCC[C@@H]1O2 238124002 573807838 /nfs/dbraw/zinc/80/78/38/573807838.db2.gz PNQRPPWXSAPAIC-IUCAKERBSA-N 0 0 154.209 1.677 10 0 ADAERN Cc1cc(C[C@@H]2CC[C@@H](O)C2)n(C)n1 84269322 573807849 /nfs/dbraw/zinc/80/78/49/573807849.db2.gz SYEGPKRVQJJECQ-GXSJLCMTSA-N 0 0 194.278 1.432 10 0 ADAERN CC(=O)C(=O)N(C)c1cccc(F)c1 258955619 573807853 /nfs/dbraw/zinc/80/78/53/573807853.db2.gz NODRCDBAUGTPCK-UHFFFAOYSA-N 0 0 195.193 1.378 10 0 ADAERN Cc1cc(Cn2cccc2)n(C)n1 84268551 573807856 /nfs/dbraw/zinc/80/78/56/573807856.db2.gz GAMKKDOXGDHXQD-UHFFFAOYSA-N 0 0 175.235 1.578 10 0 ADAERN CSc1ccc(CN(C)CO)cc1 258959764 573807861 /nfs/dbraw/zinc/80/78/61/573807861.db2.gz SPSPLHSZMYNDLL-UHFFFAOYSA-N 0 0 197.303 1.790 10 0 ADAERN CC(=O)Oc1ncc(C)cc1C 238121392 573807862 /nfs/dbraw/zinc/80/78/62/573807862.db2.gz BNUZCVIMDLJKGA-UHFFFAOYSA-N 0 0 165.192 1.624 10 0 ADAERN Cc1cc(Cn2nccc2C)n(C)n1 84268573 573807884 /nfs/dbraw/zinc/80/78/84/573807884.db2.gz ARHCHELEKJNPDM-UHFFFAOYSA-N 0 0 190.250 1.282 10 0 ADAERN CC(=O)Oc1cc(O)cc2c1CCC2 238121929 573807896 /nfs/dbraw/zinc/80/78/96/573807896.db2.gz IAJLKVURPRIYIB-UHFFFAOYSA-N 0 0 192.214 1.806 10 0 ADAERN Cc1noc(C)c1[C@H](O)C(F)(F)F 238529061 573807918 /nfs/dbraw/zinc/80/79/18/573807918.db2.gz NHQMMPGYDNPJBD-LURJTMIESA-N 0 0 195.140 1.887 10 0 ADAERN Cc1ccc(CCCO)c(O)c1F 258138705 573807930 /nfs/dbraw/zinc/80/79/30/573807930.db2.gz SHBCLTPKCJWNNJ-UHFFFAOYSA-N 0 0 184.210 1.765 10 0 ADAERN C/C=C(\C)C(=O)O[C@H](C)C(=O)OC 308443835 573807940 /nfs/dbraw/zinc/80/79/40/573807940.db2.gz AIHBEWAZSVSGHQ-WEWAHIQMSA-N 0 0 186.207 1.057 10 0 ADAERN CN(C)[C@H](NN)c1ccc(Cl)cc1 259195862 573807952 /nfs/dbraw/zinc/80/79/52/573807952.db2.gz OEFTYFDCXUAYPK-VIFPVBQESA-N 0 0 199.685 1.364 10 0 ADAERN Cc1c(C(F)F)cnc(N)c1CO 238530004 573807954 /nfs/dbraw/zinc/80/79/54/573807954.db2.gz LLSQBFHVXNXQSC-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)(C)C(=O)C1=NCCO1 238121403 573807957 /nfs/dbraw/zinc/80/79/57/573807957.db2.gz OWFKXRCXIPKDSJ-UHFFFAOYSA-N 0 0 155.197 1.030 10 0 ADAERN C=Cc1nccc(CO)c1C 209745063 573807962 /nfs/dbraw/zinc/80/79/62/573807962.db2.gz SWKHLJVFYSYLJT-UHFFFAOYSA-N 0 0 149.193 1.525 10 0 ADAERN OC[C@H]1CCCc2nnc(C3CC3)n21 258136491 573807979 /nfs/dbraw/zinc/80/79/79/573807979.db2.gz HENWRPBLEBSQSL-MRVPVSSYSA-N 0 0 193.250 1.025 10 0 ADAERN Cc1cccc2c1[C@@H]1NC(=O)C[C@H]1C2 238529029 573807985 /nfs/dbraw/zinc/80/79/85/573807985.db2.gz WGJBVMOBJWAVKA-BXKDBHETSA-N 0 0 187.242 1.728 10 0 ADAERN COCCC[C@@H](C)C(=O)OC1CC1 308443911 573808002 /nfs/dbraw/zinc/80/80/02/573808002.db2.gz AKAOIFVTFSGTLQ-MRVPVSSYSA-N 0 0 186.251 1.755 10 0 ADAERN CN[C@H](O)c1cc(Cl)ccc1F 259196222 573808005 /nfs/dbraw/zinc/80/80/05/573808005.db2.gz FERYZKDFYWMZMS-MRVPVSSYSA-N 0 0 189.617 1.689 10 0 ADAERN CCc1cc(C)nc(C2(CO)CC2)n1 259196306 573808026 /nfs/dbraw/zinc/80/80/26/573808026.db2.gz WAVJTOWFALFOIB-UHFFFAOYSA-N 0 0 192.262 1.371 10 0 ADAERN CC(C)C[C@H](NN)c1ccnnc1 127273336 573808056 /nfs/dbraw/zinc/80/80/56/573808056.db2.gz QGRFMWCXBYOAHE-VIFPVBQESA-N 0 0 180.255 1.027 10 0 ADAERN CC(C)(C)OC1=NC=CC=CN1 238122089 573808075 /nfs/dbraw/zinc/80/80/75/573808075.db2.gz GSKPKDMVACHOQP-UHFFFAOYSA-N 0 0 166.224 1.788 10 0 ADAERN Cc1cc(C[C@H](O)C(C)C)n(C)n1 84262329 573808078 /nfs/dbraw/zinc/80/80/78/573808078.db2.gz BILYFQWQIKIOOU-JTQLQIEISA-N 0 0 182.267 1.288 10 0 ADAERN Cc1c(N)ncc(CO)c1C(F)F 238529300 573808087 /nfs/dbraw/zinc/80/80/87/573808087.db2.gz DOAMSSGPEIRQKQ-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN COCc1cnc2cc(N)ccn12 258516028 573808093 /nfs/dbraw/zinc/80/80/93/573808093.db2.gz LETVYAJSRUTJKV-UHFFFAOYSA-N 0 0 177.207 1.063 10 0 ADAERN Cc1cc(C[C@@H](O)C2CCC2)n(C)n1 84264346 573808094 /nfs/dbraw/zinc/80/80/94/573808094.db2.gz RJQXDWMYIPRCCO-LLVKDONJSA-N 0 0 194.278 1.432 10 0 ADAERN Cc1cc(CC[C@H](C)O)n(C)n1 84266499 573808102 /nfs/dbraw/zinc/80/81/02/573808102.db2.gz ISFCGHRZBKQWAU-QMMMGPOBSA-N 0 0 168.240 1.042 10 0 ADAERN CCC(CC)[C@](C)(O)COC 87158478 573808120 /nfs/dbraw/zinc/80/81/20/573808120.db2.gz TWGOKTNKYBOTNP-SECBINFHSA-N 0 0 160.257 1.820 10 0 ADAERN CC(C)CC[C@@H](C)N1C(=O)CN[C@H]1C 127288859 573808139 /nfs/dbraw/zinc/80/81/39/573808139.db2.gz WYWAIHBZHKMIAU-NXEZZACHSA-N 0 0 198.310 1.589 10 0 ADAERN C[C@@H](CO)c1cccc2c1ncn2C 258138457 573808144 /nfs/dbraw/zinc/80/81/44/573808144.db2.gz SCNXVVHWLNBYED-QMMMGPOBSA-N 0 0 190.246 1.669 10 0 ADAERN Cc1noc(CCCO)c1C 238529939 573808152 /nfs/dbraw/zinc/80/81/52/573808152.db2.gz KQHLIBMNUBLKSN-UHFFFAOYSA-N 0 0 155.197 1.216 10 0 ADAERN C[Si](C)(C)N[C@@H](O)C(F)(F)F 238529347 573808170 /nfs/dbraw/zinc/80/81/70/573808170.db2.gz NPEMUGKGVYFNSJ-BYPYZUCNSA-N 0 0 187.237 1.292 10 0 ADAERN CC(C)=C1CCO[C@@H]1O 238121624 573808184 /nfs/dbraw/zinc/80/81/84/573808184.db2.gz HISSNWGXZMFBII-ZETCQYMHSA-N 0 0 128.171 1.062 10 0 ADAERN Cc1cc(C[C@H]2CC[C@H](O)C2)n(C)n1 84269320 573808185 /nfs/dbraw/zinc/80/81/85/573808185.db2.gz SYEGPKRVQJJECQ-KOLCDFICSA-N 0 0 194.278 1.432 10 0 ADAERN Cc1cccc(N)c1CC1OCCO1 238529278 573808198 /nfs/dbraw/zinc/80/81/98/573808198.db2.gz KDGQLRYUXYWWGW-UHFFFAOYSA-N 0 0 193.246 1.493 10 0 ADAERN C[C@@H](O)c1ccc(-n2nccn2)cc1 258136258 573808206 /nfs/dbraw/zinc/80/82/06/573808206.db2.gz SBBPCDZKNPKCOU-MRVPVSSYSA-N 0 0 189.218 1.321 10 0 ADAERN CN(CCC1CCC1)C(=O)C(C)(C)O 258955588 573808244 /nfs/dbraw/zinc/80/82/44/573808244.db2.gz NNMJSSZSZFHBGQ-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN C[C@H](O)CCC(=O)C1CCCC1 127257557 573808247 /nfs/dbraw/zinc/80/82/47/573808247.db2.gz JYSCYFWLHFXCIQ-QMMMGPOBSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@H](O)c1ccc(-n2nccn2)cc1 258136259 573808259 /nfs/dbraw/zinc/80/82/59/573808259.db2.gz SBBPCDZKNPKCOU-QMMMGPOBSA-N 0 0 189.218 1.321 10 0 ADAERN CC(C)=C1CC[C@H](O)C1 238122842 573808276 /nfs/dbraw/zinc/80/82/76/573808276.db2.gz ZSOQZORPYYKDMJ-QMMMGPOBSA-N 0 0 126.199 1.868 10 0 ADAERN C=Cc1nccc(C)c1N 209745717 573808295 /nfs/dbraw/zinc/80/82/95/573808295.db2.gz CYNWCUPSNXSKFO-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN Cc1cc(C[C@H]2CC[C@@H](O)C2)n(C)n1 84269324 573810228 /nfs/dbraw/zinc/81/02/28/573810228.db2.gz SYEGPKRVQJJECQ-MWLCHTKSSA-N 0 0 194.278 1.432 10 0 ADAERN Cc1coc(C[NH2+]C2CCC2)n1 257882783 573810933 /nfs/dbraw/zinc/81/09/33/573810933.db2.gz KOGDTPYHHFOIQD-UHFFFAOYSA-N 0 0 166.224 1.625 10 0 ADAERN C[C@]1(c2cccc(O)c2)CNC(=O)C1 257882375 573810948 /nfs/dbraw/zinc/81/09/48/573810948.db2.gz VRHCCCLEPYUIKG-LLVKDONJSA-N 0 0 191.230 1.170 10 0 ADAERN Cc1cc(C[C@H]2CCC[C@@H]2O)n(C)n1 84266469 573810950 /nfs/dbraw/zinc/81/09/50/573810950.db2.gz WHIANGYBVYNZAY-KOLCDFICSA-N 0 0 194.278 1.432 10 0 ADAERN C[N@@H+]1CC[C@@H](C[C@@H](C(=O)[O-])C2CC2)C1 258138014 573810951 /nfs/dbraw/zinc/81/09/51/573810951.db2.gz QUMSBLCLDMLOCV-WCBMZHEXSA-N 0 0 197.278 1.439 10 0 ADAERN CC[C@H](O)Cc1cccc(O)c1 87179820 573810962 /nfs/dbraw/zinc/81/09/62/573810962.db2.gz JLCSFOLEJFSQOT-VIFPVBQESA-N 0 0 166.220 1.706 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2CO)co1 238529392 573810977 /nfs/dbraw/zinc/81/09/77/573810977.db2.gz VSDFCOWIYJCTGV-NKWVEPMBSA-N 0 0 153.181 1.079 10 0 ADAERN CC(C)CCOC(=O)c1cc(N)c[nH]1 41046750 573810979 /nfs/dbraw/zinc/81/09/79/573810979.db2.gz SQSDEOPYGAHDQI-UHFFFAOYSA-N 0 0 196.250 1.800 10 0 ADAERN CC(C)CNCC(=O)OC(C)C 43446087 573810986 /nfs/dbraw/zinc/81/09/86/573810986.db2.gz NMNLNBDBXBAKDO-UHFFFAOYSA-N 0 0 173.256 1.184 10 0 ADAERN CC(C)CC(=O)C[C@@]1(C)CO1 238121108 573810988 /nfs/dbraw/zinc/81/09/88/573810988.db2.gz IYGXUDJGEJZZEB-VIFPVBQESA-N 0 0 156.225 1.781 10 0 ADAERN ONCc1c(F)ccc2c1OCO2 258136098 573810991 /nfs/dbraw/zinc/81/09/91/573810991.db2.gz RWSZYRZAFBCWDW-UHFFFAOYSA-N 0 0 185.154 1.033 10 0 ADAERN Cc1ccc(O)cc(=O)c1 238529705 573810263 /nfs/dbraw/zinc/81/02/63/573810263.db2.gz LIIHOLBEKRXIHU-UHFFFAOYSA-N 0 0 136.150 1.061 10 0 ADAERN CCn1nc(C)cc1CC(C)(C)O 84261832 573810264 /nfs/dbraw/zinc/81/02/64/573810264.db2.gz JXRKUEHXOJMPHH-UHFFFAOYSA-N 0 0 182.267 1.525 10 0 ADAERN CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1=O)C2(C)C 238123629 573810265 /nfs/dbraw/zinc/81/02/65/573810265.db2.gz MTBPRXSFXPFOQU-HRDYMLBCSA-N 0 0 195.262 1.126 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1C1([NH3+])CC1 238529277 573810294 /nfs/dbraw/zinc/81/02/94/573810294.db2.gz KAFWFNJBIYYALT-UHFFFAOYSA-N 0 0 191.230 1.641 10 0 ADAERN Cc1cc(C(=O)[O-])ccc1C1C[NH2+]C1 238529334 573810298 /nfs/dbraw/zinc/81/02/98/573810298.db2.gz SPJACLJKADPEDA-UHFFFAOYSA-N 0 0 191.230 1.380 10 0 ADAERN C[C@H](CO)c1cccc2c1ncn2C 258138453 573810301 /nfs/dbraw/zinc/81/03/01/573810301.db2.gz SCNXVVHWLNBYED-MRVPVSSYSA-N 0 0 190.246 1.669 10 0 ADAERN Cc1c(N)ncc(N)c1C(F)F 238529436 573810303 /nfs/dbraw/zinc/81/03/03/573810303.db2.gz QPMJOIQHFOFCEE-UHFFFAOYSA-N 0 0 173.166 1.492 10 0 ADAERN CC(C)=C1CC[C@@H](O)C1 238121963 573810321 /nfs/dbraw/zinc/81/03/21/573810321.db2.gz ZSOQZORPYYKDMJ-MRVPVSSYSA-N 0 0 126.199 1.868 10 0 ADAERN C[C@]1(C2CCOCC2)CCOC(=O)N1 257882707 573810323 /nfs/dbraw/zinc/81/03/23/573810323.db2.gz SFZQEMZDEPRNRT-SNVBAGLBSA-N 0 0 199.250 1.302 10 0 ADAERN CCc1cc(CC(=O)C(C)C)n(C)n1 84263669 573810329 /nfs/dbraw/zinc/81/03/29/573810329.db2.gz DAKCDKYFEDSZNN-UHFFFAOYSA-N 0 0 194.278 1.750 10 0 ADAERN C[C@H](O)c1cc2c(cc1F)OCC2 258138431 573810334 /nfs/dbraw/zinc/81/03/34/573810334.db2.gz SCGLUGHOCHGYKU-LURJTMIESA-N 0 0 182.194 1.814 10 0 ADAERN CCn1cnc(C(C)(C)C)c1C(=O)[O-] 84259356 573810335 /nfs/dbraw/zinc/81/03/35/573810335.db2.gz PMFGJLOMGIZLOS-UHFFFAOYSA-N 0 0 196.250 1.899 10 0 ADAERN Cc1cc(CC(=O)C(C)C)n(C)n1 84263678 573810374 /nfs/dbraw/zinc/81/03/74/573810374.db2.gz QEOBNAXOTPNAIV-UHFFFAOYSA-N 0 0 180.251 1.496 10 0 ADAERN Cc1cccc(N)c1C(O)=S 238529214 573810383 /nfs/dbraw/zinc/81/03/83/573810383.db2.gz UOFUDRQEZHNERY-UHFFFAOYSA-N 0 0 167.233 1.811 10 0 ADAERN C=Cc1nc(F)c(C)cc1N 209745525 573810405 /nfs/dbraw/zinc/81/04/05/573810405.db2.gz GQEQZXREPVWNEJ-UHFFFAOYSA-N 0 0 152.172 1.754 10 0 ADAERN CNCc1ncc([C@@H]2OCC[C@@H]2C)o1 125160161 573810414 /nfs/dbraw/zinc/81/04/14/573810414.db2.gz FXCCFKDXTFVYCY-OIBJUYFYSA-N 0 0 196.250 1.492 10 0 ADAERN CC[NH2+]Cc1ccc(F)cc1C(=O)[O-] 258137081 573810423 /nfs/dbraw/zinc/81/04/23/573810423.db2.gz OELITDWRQBUJAS-UHFFFAOYSA-N 0 0 197.209 1.633 10 0 ADAERN CC(=O)[C@@H]1COc2ccc(F)cc21 258137584 573810428 /nfs/dbraw/zinc/81/04/28/573810428.db2.gz QDVFSARPTNHCFZ-VIFPVBQESA-N 0 0 180.178 1.891 10 0 ADAERN C=Cc1nccc(C)c1O 209747141 573810458 /nfs/dbraw/zinc/81/04/58/573810458.db2.gz DNCFNJUBUWWYBX-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN C=Cc1cncc(O)c1C 209747556 573810471 /nfs/dbraw/zinc/81/04/71/573810471.db2.gz BCKPMTLRRAAZTM-UHFFFAOYSA-N 0 0 135.166 1.739 10 0 ADAERN CCn1nc(C)cc1Cn1ccnc1 84268557 573810480 /nfs/dbraw/zinc/81/04/80/573810480.db2.gz LILTWWLEFVMVEN-UHFFFAOYSA-N 0 0 190.250 1.456 10 0 ADAERN Nc1cnc(N2CCCCC2)o1 257882665 573810503 /nfs/dbraw/zinc/81/05/03/573810503.db2.gz KMFVPXJFBMQELL-UHFFFAOYSA-N 0 0 167.212 1.247 10 0 ADAERN CCOc1c(CON)cccc1OC 258138538 573810524 /nfs/dbraw/zinc/81/05/24/573810524.db2.gz SDUQAFJBJJHPKB-UHFFFAOYSA-N 0 0 197.234 1.484 10 0 ADAERN C[NH2+][C@@H](c1ccc(C)o1)[C@@H](C)C(=O)[O-] 259196011 573810533 /nfs/dbraw/zinc/81/05/33/573810533.db2.gz FDSJVRWYGOLXFO-VXNVDRBHSA-N 0 0 197.234 1.569 10 0 ADAERN OCc1cnc(-c2ccc(O)cc2)o1 258137485 573810536 /nfs/dbraw/zinc/81/05/36/573810536.db2.gz PQFFLADJYRGUDK-UHFFFAOYSA-N 0 0 191.186 1.540 10 0 ADAERN CC(C)OC(=O)NCC1(O)CCC1 131294427 573810538 /nfs/dbraw/zinc/81/05/38/573810538.db2.gz LGTLXMIJKDKHKZ-UHFFFAOYSA-N 0 0 187.239 1.036 10 0 ADAERN CC1(C)COc2cccc(N)c2N1 258429672 573810553 /nfs/dbraw/zinc/81/05/53/573810553.db2.gz FOGSSVCMRINGFH-UHFFFAOYSA-N 0 0 178.235 1.852 10 0 ADAERN Oc1cccn2c(C3CC3)ncc12 258139067 573810555 /nfs/dbraw/zinc/81/05/55/573810555.db2.gz HHQHZAJJPPBGQY-UHFFFAOYSA-N 0 0 174.203 1.917 10 0 ADAERN Cc1cccc([C@]2(C)CC(=O)CN2)c1 258960352 573810573 /nfs/dbraw/zinc/81/05/73/573810573.db2.gz TUZNODQYDGQEBN-LBPRGKRZSA-N 0 0 189.258 1.773 10 0 ADAERN CN1C[C@H](c2ccc(O)cc2)NC1=O 257882606 573810576 /nfs/dbraw/zinc/81/05/76/573810576.db2.gz VTJTWUKMYILEFI-SECBINFHSA-N 0 0 192.218 1.088 10 0 ADAERN COc1ccc(C2(O)CC2)c(C=O)c1 258136241 573810580 /nfs/dbraw/zinc/81/05/80/573810580.db2.gz SAGSIZRGIVPTGK-UHFFFAOYSA-N 0 0 192.214 1.489 10 0 ADAERN Cc1cc[nH]c1[C@H](N)C(F)(F)F 238528409 573810588 /nfs/dbraw/zinc/81/05/88/573810588.db2.gz QFMICVBCKAUOGY-LURJTMIESA-N 0 0 178.157 1.885 10 0 ADAERN Cc1c(N)sc(=S)n1C 238530277 573810604 /nfs/dbraw/zinc/81/06/04/573810604.db2.gz KEJGBRDXSRCZQQ-UHFFFAOYSA-N 0 0 160.267 1.707 10 0 ADAERN CC[C@H](C)C[C@@H](NN)c1ccnn1C 131313495 573810619 /nfs/dbraw/zinc/81/06/19/573810619.db2.gz LECRVJXOZUKRAM-DTWKUNHWSA-N 0 0 196.298 1.361 10 0 ADAERN Cc1ccc(C(=O)C2(CO)CCC2)o1 259195212 573810621 /nfs/dbraw/zinc/81/06/21/573810621.db2.gz RLDQLNMDTSBTDU-UHFFFAOYSA-N 0 0 194.230 1.933 10 0 ADAERN COc1cc2c(cc1CON)CCC2 258136250 573810645 /nfs/dbraw/zinc/81/06/45/573810645.db2.gz SATRMXZZEHAWPD-UHFFFAOYSA-N 0 0 193.246 1.574 10 0 ADAERN OC[C@@H]1CCCc2nnc(C3CC3)n21 258136493 573810651 /nfs/dbraw/zinc/81/06/51/573810651.db2.gz HENWRPBLEBSQSL-QMMMGPOBSA-N 0 0 193.250 1.025 10 0 ADAERN CC(C)CC(=O)Nc1cccc(=O)[nH]1 238122918 573810652 /nfs/dbraw/zinc/81/06/52/573810652.db2.gz AIXMHKLSXGOEIR-UHFFFAOYSA-N 0 0 194.234 1.360 10 0 ADAERN Oc1ccc(CC2(O)CCC2)cc1 87180059 573810656 /nfs/dbraw/zinc/81/06/56/573810656.db2.gz HKPVODHRBUPJBK-UHFFFAOYSA-N 0 0 178.231 1.850 10 0 ADAERN C[C@H](O)[C@H]1Cc2cc(O)ccc2N1 258137477 573810664 /nfs/dbraw/zinc/81/06/64/573810664.db2.gz QCPPUDJAYDNSPK-QUBYGPBYSA-N 0 0 179.219 1.110 10 0 ADAERN C[C@H]1CNc2cccc(CO)c2N1C 258429640 573810666 /nfs/dbraw/zinc/81/06/66/573810666.db2.gz FOEIWSWPUJKETE-QMMMGPOBSA-N 0 0 192.262 1.429 10 0 ADAERN CC[C@@H](C)[C@]1(CO)CCOC1 87176242 573810668 /nfs/dbraw/zinc/81/06/68/573810668.db2.gz QRRDJMWMEMVCBF-BDAKNGLRSA-N 0 0 158.241 1.432 10 0 ADAERN OC1([C@@H]2CCSC2)CCC1 257882637 573810688 /nfs/dbraw/zinc/81/06/88/573810688.db2.gz BNCDRWXUGKKJLD-SSDOTTSWSA-N 0 0 158.266 1.655 10 0 ADAERN C[NH2+][C@H](c1cccs1)[C@@H](C)C(=O)[O-] 259195822 573810700 /nfs/dbraw/zinc/81/07/00/573810700.db2.gz FCWMJZTZXZVHCU-SVRRBLITSA-N 0 0 199.275 1.729 10 0 ADAERN Cc1cc(C[C@@H]2CCC[C@H]2O)n(C)n1 84266471 573810712 /nfs/dbraw/zinc/81/07/12/573810712.db2.gz WHIANGYBVYNZAY-GXSJLCMTSA-N 0 0 194.278 1.432 10 0 ADAERN C/C=C(/C)C(=O)O[C@H](C)C(=O)OC 308443834 573810717 /nfs/dbraw/zinc/81/07/17/573810717.db2.gz AIHBEWAZSVSGHQ-KXTMECRCSA-N 0 0 186.207 1.057 10 0 ADAERN C[C@@H](O)Cc1ccc2c(c1)NCC2 257882184 573810724 /nfs/dbraw/zinc/81/07/24/573810724.db2.gz MFMLLEHOLNZNQE-MRVPVSSYSA-N 0 0 177.247 1.578 10 0 ADAERN Cc1cc(C[C@@H](O)C2CC2)n(C)n1 84262519 573810731 /nfs/dbraw/zinc/81/07/31/573810731.db2.gz VGUNJGGOAJVDFD-SNVBAGLBSA-N 0 0 180.251 1.042 10 0 ADAERN Cc1ccc(=O)cc(C)n1 238529680 573810732 /nfs/dbraw/zinc/81/07/32/573810732.db2.gz SFZOVYHVXMZTNG-UHFFFAOYSA-N 0 0 135.166 1.059 10 0 ADAERN Cc1c[nH]c(N)c(C(F)F)c1=O 238530066 573810748 /nfs/dbraw/zinc/81/07/48/573810748.db2.gz UGZXOWWPXNJLOG-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN Cc1ccn(Cc2cccc(O)c2)n1 87183511 573810756 /nfs/dbraw/zinc/81/07/56/573810756.db2.gz XRAYOWMMSBFBFM-UHFFFAOYSA-N 0 0 188.230 1.945 10 0 ADAERN CC(C)[C@H](O)Cc1ccc(O)cc1 87179661 573810764 /nfs/dbraw/zinc/81/07/64/573810764.db2.gz DKXXYMSBXTVWEI-LLVKDONJSA-N 0 0 180.247 1.952 10 0 ADAERN C[C@@H]1C[C@@H]1[C@H](O)Cc1ccc(O)cc1 87180869 573810775 /nfs/dbraw/zinc/81/07/75/573810775.db2.gz PGXUUNVMLMWEEF-JFUSQASVSA-N 0 0 192.258 1.952 10 0 ADAERN C=Cc1ncc(N)cc1C 209743145 573810780 /nfs/dbraw/zinc/81/07/80/573810780.db2.gz WHAGIXXDAOCKPT-UHFFFAOYSA-N 0 0 134.182 1.615 10 0 ADAERN CC(C)C[C@@H](NN)c1ccnnc1 127273593 573810792 /nfs/dbraw/zinc/81/07/92/573810792.db2.gz QGRFMWCXBYOAHE-SECBINFHSA-N 0 0 180.255 1.027 10 0 ADAERN CCn1nc(C)cc1CC(C)=O 84263694 573810800 /nfs/dbraw/zinc/81/08/00/573810800.db2.gz JFLXQQMVOSGTEW-UHFFFAOYSA-N 0 0 166.224 1.343 10 0 ADAERN CC(=O)C[C@@]1(C)CC[C@]1(C)O 238123139 573810801 /nfs/dbraw/zinc/81/08/01/573810801.db2.gz YCVTYXLAQWRPFN-BDAKNGLRSA-N 0 0 156.225 1.517 10 0 ADAERN Oc1cccc(C[C@]2(O)CCOC2)c1 87179545 573810829 /nfs/dbraw/zinc/81/08/29/573810829.db2.gz BVPRBJDRXLCXHX-LLVKDONJSA-N 0 0 194.230 1.086 10 0 ADAERN Cc1noc(C)c1-c1ccc(N)cn1 238529340 573810839 /nfs/dbraw/zinc/81/08/39/573810839.db2.gz HURVZZDCQIWPHI-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN C[C@@]1(c2cccc(O)c2)CNC(=O)C1 257882379 573810846 /nfs/dbraw/zinc/81/08/46/573810846.db2.gz VRHCCCLEPYUIKG-NSHDSACASA-N 0 0 191.230 1.170 10 0 ADAERN C[C@@H](O)c1cnc([C@H]2CCOC2)o1 258137469 573810854 /nfs/dbraw/zinc/81/08/54/573810854.db2.gz PQBHLZRXUBQREH-RQJHMYQMSA-N 0 0 183.207 1.232 10 0 ADAERN CC(C)(C)[C@]1(C)COC(=O)N1 258430328 573810861 /nfs/dbraw/zinc/81/08/61/573810861.db2.gz CUXNTPBUPXJOEZ-QMMMGPOBSA-N 0 0 157.213 1.531 10 0 ADAERN Cc1cc(C[C@@](C)(O)C2CC2)n(C)n1 84261906 573810871 /nfs/dbraw/zinc/81/08/71/573810871.db2.gz IBFPMHWWWNMBBY-LLVKDONJSA-N 0 0 194.278 1.432 10 0 ADAERN CC(=O)Oc1cc2n(c1)CCCC2 238122016 573810877 /nfs/dbraw/zinc/81/08/77/573810877.db2.gz ZHEHTWNYEMKYKO-UHFFFAOYSA-N 0 0 179.219 1.750 10 0 ADAERN CC(C)(C)C(=O)C[C@H]1C[C@@]1(C)O 238122896 573810885 /nfs/dbraw/zinc/81/08/85/573810885.db2.gz RJIZVBPODFTEMN-OIBJUYFYSA-N 0 0 170.252 1.763 10 0 ADAERN CC(C)(CO)[C@@]1(O)Cc2ccccc21 238121177 573810907 /nfs/dbraw/zinc/81/09/07/573810907.db2.gz ORJWLNGJNVQJLW-GFCCVEGCSA-N 0 0 192.258 1.449 10 0 ADAERN C[C@@](O)(C1CCC1)C(F)(F)CN 257879993 573813773 /nfs/dbraw/zinc/81/37/73/573813773.db2.gz LTDYKRBRTYHMSJ-SSDOTTSWSA-N 0 0 179.210 1.132 10 0 ADAERN COC(=O)[C@H]1CCC(=O)[C@H](C(C)C)C1 259622385 573813774 /nfs/dbraw/zinc/81/37/74/573813774.db2.gz NQRNLFPLMBSIDX-IUCAKERBSA-N 0 0 198.262 1.801 10 0 ADAERN Cc1nnc(C2CCC2)c(N)n1 259197955 573813775 /nfs/dbraw/zinc/81/37/75/573813775.db2.gz NBYFLBQYJOGSOM-UHFFFAOYSA-N 0 0 164.212 1.030 10 0 ADAERN COc1cccc(CC2(O)CC2)c1F 258145383 573813782 /nfs/dbraw/zinc/81/37/82/573813782.db2.gz SWOLFHWUBWMVNA-UHFFFAOYSA-N 0 0 196.221 1.902 10 0 ADAERN CC(F)(F)[C@]([NH3+])(C(=O)[O-])C1CCC1 257880433 573813804 /nfs/dbraw/zinc/81/38/04/573813804.db2.gz VKELHDFBXXILJU-MRVPVSSYSA-N 0 0 193.193 1.224 10 0 ADAERN CCCC[C@@]1(C)NCC(=O)N1C1CC1 308743793 573813807 /nfs/dbraw/zinc/81/38/07/573813807.db2.gz QEEYGXYWNQOUBA-NSHDSACASA-N 0 0 196.294 1.487 10 0 ADAERN Cc1cc2nsnc2c(N)c1N 238522268 573813813 /nfs/dbraw/zinc/81/38/13/573813813.db2.gz YIIJEZRVLGBRHY-UHFFFAOYSA-N 0 0 180.236 1.164 10 0 ADAERN Cc1cnc(N)c(CO)c1C(F)F 238530561 573813829 /nfs/dbraw/zinc/81/38/29/573813829.db2.gz FJXUZLRWJAFDCY-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cc1nc(CCCCO)cs1 84277230 573813833 /nfs/dbraw/zinc/81/38/33/573813833.db2.gz VMVJZIUXOMALFU-UHFFFAOYSA-N 0 0 171.265 1.767 10 0 ADAERN Cc1nc(CC(C)(C)O)cs1 84272400 573813841 /nfs/dbraw/zinc/81/38/41/573813841.db2.gz VBWGXHIDXLSYGY-UHFFFAOYSA-N 0 0 171.265 1.765 10 0 ADAERN CSCc1nnc2cc(N)ccn12 258516402 573813847 /nfs/dbraw/zinc/81/38/47/573813847.db2.gz LIOOVESRTSBUNQ-UHFFFAOYSA-N 0 0 194.263 1.175 10 0 ADAERN Oc1cccc(C[C@@]2(O)CCOC2)c1 87179548 573813861 /nfs/dbraw/zinc/81/38/61/573813861.db2.gz BVPRBJDRXLCXHX-NSHDSACASA-N 0 0 194.230 1.086 10 0 ADAERN CCCC[C@@H](O)OC 79363419 573813867 /nfs/dbraw/zinc/81/38/67/573813867.db2.gz DERRBYAQLSWULJ-LURJTMIESA-N 0 0 118.176 1.141 10 0 ADAERN Oc1ccc(C[C@H](O)C2CC2)cc1 87179742 573813871 /nfs/dbraw/zinc/81/38/71/573813871.db2.gz AAXZNYLYLDDWNS-NSHDSACASA-N 0 0 178.231 1.706 10 0 ADAERN CC(=O)S[C@H]1NC(=S)CS1 238132330 573813889 /nfs/dbraw/zinc/81/38/89/573813889.db2.gz JNJLVKNTZCMLEJ-YFKPBYRVSA-N 0 0 193.318 1.214 10 0 ADAERN Cc1cnc(CO)c2c(C)coc12 238521948 573813900 /nfs/dbraw/zinc/81/39/00/573813900.db2.gz BKYWUGALFTYYHG-UHFFFAOYSA-N 0 0 177.203 1.937 10 0 ADAERN CC(C)=CSCCO 225004854 573813933 /nfs/dbraw/zinc/81/39/33/573813933.db2.gz URQRUOQQAHPLDN-UHFFFAOYSA-N 0 0 132.228 1.636 10 0 ADAERN CC(C)[C@H](O)Cc1cccc(O)c1 87179658 573813939 /nfs/dbraw/zinc/81/39/39/573813939.db2.gz LKXJDJCHDGOTHT-LLVKDONJSA-N 0 0 180.247 1.952 10 0 ADAERN C[C@H](O)[C@@H](C)Cc1ccc(O)cc1 87182165 573813945 /nfs/dbraw/zinc/81/39/45/573813945.db2.gz RESCETUFUOZIBG-IUCAKERBSA-N 0 0 180.247 1.952 10 0 ADAERN C[C@H](O)Cc1c(F)ccc2c1CCO2 258145403 573813968 /nfs/dbraw/zinc/81/39/68/573813968.db2.gz SXBKFTPGKCOGFH-ZETCQYMHSA-N 0 0 196.221 1.684 10 0 ADAERN C[C@H](CO)[C@@H](O)/C=C\c1ccccc1 308444212 573813970 /nfs/dbraw/zinc/81/39/70/573813970.db2.gz JNFCGBNYOJIKHB-ALPGUUAYSA-N 0 0 192.258 1.689 10 0 ADAERN CC(C)[C@@]1(CO)C[C@@H]1C 258933823 573813974 /nfs/dbraw/zinc/81/39/74/573813974.db2.gz BELVXPXKUVCQME-YUMQZZPRSA-N 0 0 128.215 1.661 10 0 ADAERN CC(C)(CO)[C@H]1CC[C@@H](O)C1 238124430 573813975 /nfs/dbraw/zinc/81/39/75/573813975.db2.gz CEGDSWRJDBUUMJ-JGVFFNPUSA-N 0 0 158.241 1.166 10 0 ADAERN C[C@H](F)C[C@H]1CCC[C@H]1O 259197695 573813981 /nfs/dbraw/zinc/81/39/81/573813981.db2.gz JAWKEDVDRXKTJH-XLPZGREQSA-N 0 0 146.205 1.896 10 0 ADAERN O=C(Cc1ccc(O)cc1)C1CC1 87180335 573813983 /nfs/dbraw/zinc/81/39/83/573813983.db2.gz HSSZMDRJLOKTKF-UHFFFAOYSA-N 0 0 176.215 1.914 10 0 ADAERN CCCc1ccnc([C@H]2CCC[NH2+]2)n1 259198900 573813987 /nfs/dbraw/zinc/81/39/87/573813987.db2.gz WHXRIGVSCQUUDB-SNVBAGLBSA-N 0 0 191.278 1.854 10 0 ADAERN CCOCC[C@]1(CO)CCO[C@@H]1C 127347428 573813989 /nfs/dbraw/zinc/81/39/89/573813989.db2.gz GHOAXXCGMGZNFX-NXEZZACHSA-N 0 0 188.267 1.201 10 0 ADAERN O=C(CC1=NCCO1)C1CCCC1 259198069 573814003 /nfs/dbraw/zinc/81/40/03/573814003.db2.gz NDWYURMVCIOWTR-UHFFFAOYSA-N 0 0 181.235 1.565 10 0 ADAERN CC(F)(F)[C@@]([NH3+])(C(=O)[O-])C1CCC1 257880436 573814014 /nfs/dbraw/zinc/81/40/14/573814014.db2.gz VKELHDFBXXILJU-QMMMGPOBSA-N 0 0 193.193 1.224 10 0 ADAERN C[C@H]1Cc2cc(CCON)ccc2O1 258140985 573814018 /nfs/dbraw/zinc/81/40/18/573814018.db2.gz SNYVGDHVKNVCFM-QMMMGPOBSA-N 0 0 193.246 1.443 10 0 ADAERN Oc1cccc(C[C@@H](O)C2CC2)c1 87179740 573814026 /nfs/dbraw/zinc/81/40/26/573814026.db2.gz RNLQUVQTAOXFFE-LLVKDONJSA-N 0 0 178.231 1.706 10 0 ADAERN Cc1cc2oc(=O)[nH]c(=O)c2cc1C 238522322 573814031 /nfs/dbraw/zinc/81/40/31/573814031.db2.gz LHWQLOWLUWSWAU-UHFFFAOYSA-N 0 0 191.186 1.098 10 0 ADAERN Cc1ccnn1Cc1ccc(O)cc1 87183517 573814043 /nfs/dbraw/zinc/81/40/43/573814043.db2.gz HGDZBGWMOJUDEN-UHFFFAOYSA-N 0 0 188.230 1.945 10 0 ADAERN CC(C)(C)c1occc(=O)c1O 238134068 573814048 /nfs/dbraw/zinc/81/40/48/573814048.db2.gz LQSMOVCHODFDTA-UHFFFAOYSA-N 0 0 168.192 1.643 10 0 ADAERN C[C@H](O)c1coc([C@@H]2CCSC2)n1 258139535 573814063 /nfs/dbraw/zinc/81/40/63/573814063.db2.gz PTGRTVCWFRQSST-NKWVEPMBSA-N 0 0 199.275 1.948 10 0 ADAERN C=Cc1occc1C=O 238133604 573814082 /nfs/dbraw/zinc/81/40/82/573814082.db2.gz ZDKZOZORRNOYFY-UHFFFAOYSA-N 0 0 122.123 1.735 10 0 ADAERN CC[C@@H](COC)N[C@@H](C)c1ccon1 308744634 573814090 /nfs/dbraw/zinc/81/40/90/573814090.db2.gz QTMCNBCHVABVDS-IUCAKERBSA-N 0 0 198.266 1.750 10 0 ADAERN CCn1nc(C)c(Cl)c1C[NH3+] 84278267 573814102 /nfs/dbraw/zinc/81/41/02/573814102.db2.gz ROPXHZYYAFFEHC-UHFFFAOYSA-N 0 0 173.647 1.324 10 0 ADAERN CCOC(=O)c1nc(C)cc(CC)n1 259198751 573814114 /nfs/dbraw/zinc/81/41/14/573814114.db2.gz WGJVQTKDVLKPRU-UHFFFAOYSA-N 0 0 194.234 1.524 10 0 ADAERN CC(C)C[C@H]1C=C(C(=O)[O-])CC[NH2+]1 257881367 573814117 /nfs/dbraw/zinc/81/41/17/573814117.db2.gz MBJMEEFYPSEVFR-VIFPVBQESA-N 0 0 183.251 1.405 10 0 ADAERN Cn1c(=O)[nH]c(=S)c2ccccc21 238521841 573814122 /nfs/dbraw/zinc/81/41/22/573814122.db2.gz ZFCIEZDFIZNOSK-UHFFFAOYSA-N 0 0 192.243 1.596 10 0 ADAERN CC(C)(CO)[C@H]1CC[C@@](C)(O)C1 238124461 573814126 /nfs/dbraw/zinc/81/41/26/573814126.db2.gz JAZZJVQZAABLNX-WCBMZHEXSA-N 0 0 172.268 1.556 10 0 ADAERN CC(=O)C[C@@]12CC[C@@H](C1)[C@@H](O)C2 238124242 573814133 /nfs/dbraw/zinc/81/41/33/573814133.db2.gz OZGZMHZWJVXEMJ-GUBZILKMSA-N 0 0 168.236 1.517 10 0 ADAERN CC(=O)CSc1ccc(N)cc1 100696612 573814135 /nfs/dbraw/zinc/81/41/35/573814135.db2.gz XTIAVSUDMLCEHU-UHFFFAOYSA-N 0 0 181.260 1.950 10 0 ADAERN C[C@@H](CO)c1cccc2c1OCCO2 258140845 573814141 /nfs/dbraw/zinc/81/41/41/573814141.db2.gz SJSYTPOUPQHNSZ-QMMMGPOBSA-N 0 0 194.230 1.554 10 0 ADAERN CC[C@@H](C)C[C@H](NN)c1ccnn1C 131312889 573814143 /nfs/dbraw/zinc/81/41/43/573814143.db2.gz LECRVJXOZUKRAM-BDAKNGLRSA-N 0 0 196.298 1.361 10 0 ADAERN COC(=O)C1(CCC(C)C)COC1 259199911 573814159 /nfs/dbraw/zinc/81/41/59/573814159.db2.gz RVAXPQZDSUEAHC-UHFFFAOYSA-N 0 0 186.251 1.612 10 0 ADAERN CCSCc1cc(N)no1 257880427 573814173 /nfs/dbraw/zinc/81/41/73/573814173.db2.gz HDEBAZHPQJMYCM-UHFFFAOYSA-N 0 0 158.226 1.510 10 0 ADAERN CC[C@@]1(c2ccccc2)O[C@H]1C(N)=O 100688051 573814174 /nfs/dbraw/zinc/81/41/74/573814174.db2.gz FDCNVPBLEQIPJP-ONGXEEELSA-N 0 0 191.230 1.176 10 0 ADAERN C[C@@](F)(C1CC1)C(F)(F)C[NH3+] 258433834 573814193 /nfs/dbraw/zinc/81/41/93/573814193.db2.gz DGQHFDRXRQPEJZ-ZCFIWIBFSA-N 0 0 167.174 1.719 10 0 ADAERN COc1ccc2c(c1)NC[C@@H](OC)C2 257880230 573814195 /nfs/dbraw/zinc/81/41/95/573814195.db2.gz VHVWUGXXQYXHBS-JTQLQIEISA-N 0 0 193.246 1.678 10 0 ADAERN CC(=O)C[C@]1(C)CC(C)(C)C(=O)N1 238133422 573814200 /nfs/dbraw/zinc/81/42/00/573814200.db2.gz RVDQGVOWDKVYDJ-SNVBAGLBSA-N 0 0 183.251 1.270 10 0 ADAERN C[C@@H](Cc1ccc(O)cc1)[C@@H](C)O 87182159 573814228 /nfs/dbraw/zinc/81/42/28/573814228.db2.gz RESCETUFUOZIBG-DTWKUNHWSA-N 0 0 180.247 1.952 10 0 ADAERN Cc1cnc(CO)c(F)c1 238521622 573814254 /nfs/dbraw/zinc/81/42/54/573814254.db2.gz XFUYIEPRKMQLSR-UHFFFAOYSA-N 0 0 141.145 1.021 10 0 ADAERN C=Cc1ccccc1CNC=O 238132256 573814266 /nfs/dbraw/zinc/81/42/66/573814266.db2.gz ZJBVIUXCPOMBIY-UHFFFAOYSA-N 0 0 161.204 1.576 10 0 ADAERN O=C1NC[C@@H]1c1ccc(Cl)cc1 238522018 573814271 /nfs/dbraw/zinc/81/42/71/573814271.db2.gz KLBYPGMEGGANAR-MRVPVSSYSA-N 0 0 181.622 1.553 10 0 ADAERN CC(=O)[C@@](C)(O)C=C=C(C)C 238132798 573814274 /nfs/dbraw/zinc/81/42/74/573814274.db2.gz DFMTTXOSJMPAOC-VIFPVBQESA-N 0 0 154.209 1.448 10 0 ADAERN Cc1cc2c(o1)CC[C@@H]1C2=NO[C@H]1O 223545184 573814278 /nfs/dbraw/zinc/81/42/78/573814278.db2.gz BWJKSMDYWVQCGB-LHLIQPBNSA-N 0 0 193.202 1.203 10 0 ADAERN CC(=O)c1cc([C@@H]2CCCOC2)n[nH]1 259200752 573814300 /nfs/dbraw/zinc/81/43/00/573814300.db2.gz KSSCDVUUQRAXMS-MRVPVSSYSA-N 0 0 194.234 1.506 10 0 ADAERN COc1ccc2c(c1)NC[C@H](OC)C2 257880234 573814306 /nfs/dbraw/zinc/81/43/06/573814306.db2.gz VHVWUGXXQYXHBS-SNVBAGLBSA-N 0 0 193.246 1.678 10 0 ADAERN OCCc1cc2[nH]ccc2s1 84284088 573814314 /nfs/dbraw/zinc/81/43/14/573814314.db2.gz GKKQYOSCQGFPGS-UHFFFAOYSA-N 0 0 167.233 1.764 10 0 ADAERN CO[C@H]1CCOc2cccc(N)c21 257879971 573814320 /nfs/dbraw/zinc/81/43/20/573814320.db2.gz LSJDBOYLJFJFRH-QMMMGPOBSA-N 0 0 179.219 1.739 10 0 ADAERN CCC(CC)[C@@H]([NH2+]CC1CC1)C(=O)[O-] 41049836 573814330 /nfs/dbraw/zinc/81/43/30/573814330.db2.gz NHQFHDBOPBXZOR-SNVBAGLBSA-N 0 0 199.294 1.875 10 0 ADAERN Cc1cnc(CO)c2ccoc12 238522004 573814342 /nfs/dbraw/zinc/81/43/42/573814342.db2.gz IFRSKRHQQMFANQ-UHFFFAOYSA-N 0 0 163.176 1.629 10 0 ADAERN CC(C)[C@@H](O)Cc1cccc(O)c1 87179659 573814355 /nfs/dbraw/zinc/81/43/55/573814355.db2.gz LKXJDJCHDGOTHT-NSHDSACASA-N 0 0 180.247 1.952 10 0 ADAERN Nc1n[nH]cc1COc1ccccc1 257880357 573814381 /nfs/dbraw/zinc/81/43/81/573814381.db2.gz HCBFFKWWVZTOOA-UHFFFAOYSA-N 0 0 189.218 1.571 10 0 ADAERN CC(=O)S[C@]1(C)CCC[C@H]1O 238132524 573814391 /nfs/dbraw/zinc/81/43/91/573814391.db2.gz KFOBDXATLVCJFM-HTQZYQBOSA-N 0 0 174.265 1.570 10 0 ADAERN CCC(CC)[C@@H]([NH2+]C1CC1)C(=O)[O-] 41049788 573814414 /nfs/dbraw/zinc/81/44/14/573814414.db2.gz VZRMIVNRKCPVHI-SECBINFHSA-N 0 0 185.267 1.628 10 0 ADAERN CC(=O)c1c2c(nn1C)CCSC2 257881464 573814416 /nfs/dbraw/zinc/81/44/16/573814416.db2.gz VLBRTTTVAKREQI-UHFFFAOYSA-N 0 0 196.275 1.412 10 0 ADAERN OCc1nccc(-c2ccncc2)n1 259199061 573814437 /nfs/dbraw/zinc/81/44/37/573814437.db2.gz WJGYDHIPUULHLJ-UHFFFAOYSA-N 0 0 187.202 1.031 10 0 ADAERN Cc1cc(C(N)=O)c(C(F)F)cn1 238522291 573814464 /nfs/dbraw/zinc/81/44/64/573814464.db2.gz CGBVYXIGUBBGES-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN Cc1cc(Cc2csc(N)n2)on1 238530431 573814476 /nfs/dbraw/zinc/81/44/76/573814476.db2.gz AOLAPVILELZAEI-UHFFFAOYSA-N 0 0 195.247 1.613 10 0 ADAERN CC(C)C[C@@](C[NH3+])(C(=O)[O-])[C@H](C)F 257880221 573814479 /nfs/dbraw/zinc/81/44/79/573814479.db2.gz VHUVBKUWRCGCTO-CBAPKCEASA-N 0 0 191.246 1.420 10 0 ADAERN CC(C)(O)Cc1ccc2c(c1)CCO2 259199944 573814497 /nfs/dbraw/zinc/81/44/97/573814497.db2.gz RWAPVGXQZVOVPV-UHFFFAOYSA-N 0 0 192.258 1.935 10 0 ADAERN CC(C)CNC1=CC(=O)NC(C)(C)C1 238129614 573823235 /nfs/dbraw/zinc/82/32/35/573823235.db2.gz UDVGNDCZGZIMDL-UHFFFAOYSA-N 0 0 196.294 1.414 10 0 ADAERN CC[C@@H](O)c1c(C)nn(C)c1Cl 87198401 573823869 /nfs/dbraw/zinc/82/38/69/573823869.db2.gz UUIOQPKWRYOYBB-ZCFIWIBFSA-N 0 0 188.658 1.825 10 0 ADAERN CCCC[C@H](NC1CC1)C(=O)OCC 41053366 573826047 /nfs/dbraw/zinc/82/60/47/573826047.db2.gz HQBQVUPKOJBTKJ-JTQLQIEISA-N 0 0 199.294 1.860 10 0 ADAERN CC(C)(C)[C@H](N)C(=O)c1cncnc1 122777711 573823255 /nfs/dbraw/zinc/82/32/55/573823255.db2.gz ICFSEUSWNJHXQU-SECBINFHSA-N 0 0 193.250 1.033 10 0 ADAERN CCn1cc(C2CC(O)C2)cn1 87200183 573823282 /nfs/dbraw/zinc/82/32/82/573823282.db2.gz MVCBWGOHMUTYBT-UHFFFAOYSA-N 0 0 166.224 1.141 10 0 ADAERN CC(=O)c1cc(C)c(CO)cn1 238130712 573823296 /nfs/dbraw/zinc/82/32/96/573823296.db2.gz MFVUGWUPZIVXKO-UHFFFAOYSA-N 0 0 165.192 1.085 10 0 ADAERN CCn1nc(C)c(C2CC(=O)C2)c1C 87199197 573823323 /nfs/dbraw/zinc/82/33/23/573823323.db2.gz VDKDHSKJJXGRHM-UHFFFAOYSA-N 0 0 192.262 1.966 10 0 ADAERN C=Cc1c[nH]c(C(=O)OCC)c1 716804861 573823368 /nfs/dbraw/zinc/82/33/68/573823368.db2.gz GYKFIXQQQQVTGJ-UHFFFAOYSA-N 0 0 165.192 1.834 10 0 ADAERN CCc1ncoc1[C@@H](CC)C(=O)OC 259572261 573823397 /nfs/dbraw/zinc/82/33/97/573823397.db2.gz DHZGWDJDPAVTEY-SSDOTTSWSA-N 0 0 197.234 1.904 10 0 ADAERN C[C@H](COC1C[NH2+]C1)CC(F)F 688750521 573823404 /nfs/dbraw/zinc/82/34/04/573823404.db2.gz YQPYOUXPTVMMNZ-LURJTMIESA-N 0 0 179.210 1.266 10 0 ADAERN CCSc1cnoc1N 87196231 573823413 /nfs/dbraw/zinc/82/34/13/573823413.db2.gz WMRXTJJPDHAHOU-UHFFFAOYSA-N 0 0 144.199 1.369 10 0 ADAERN [NH3+][C@@H](C[C@@H](F)c1ccccc1)C(=O)[O-] 257884654 573823426 /nfs/dbraw/zinc/82/34/26/573823426.db2.gz WBCWAOROYPPNRU-BDAKNGLRSA-N 0 0 197.209 1.499 10 0 ADAERN Cc1ccc2cc(C=O)cn2n1 238525448 573823434 /nfs/dbraw/zinc/82/34/34/573823434.db2.gz SBWPUMCVXAQDPS-UHFFFAOYSA-N 0 0 160.176 1.455 10 0 ADAERN Cc1c(N)cccc1[C@H]1CCC(=O)N1 238524676 573823454 /nfs/dbraw/zinc/82/34/54/573823454.db2.gz CYBWIQFNXWEPHJ-SNVBAGLBSA-N 0 0 190.246 1.528 10 0 ADAERN C=C/C=C/CN1CCOCC1 238130747 573823486 /nfs/dbraw/zinc/82/34/86/573823486.db2.gz LGXOPVIQSYUNBL-ONEGZZNKSA-N 0 0 153.225 1.061 10 0 ADAERN C/C=C\[C@H](O)[C@@](C)(O)c1ccncc1 308444814 573823506 /nfs/dbraw/zinc/82/35/06/573823506.db2.gz KMTUTVIDCYRFPZ-WZQADMAKSA-N 0 0 193.246 1.226 10 0 ADAERN Cc1cc(F)c(CO)nc1C(F)F 238524678 573823544 /nfs/dbraw/zinc/82/35/44/573823544.db2.gz RRKMJMGKJYFXMU-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN CC1(C)C[C@H]([NH3+])[C@@H]2C[C@H](C(=O)[O-])[C@@H]2C1 257884499 573823568 /nfs/dbraw/zinc/82/35/68/573823568.db2.gz VYVIIBMHXFSLTG-XAVMHZPKSA-N 0 0 197.278 1.471 10 0 ADAERN C[C@]12CC[C@H](C[C@@H]1CO)[C@@H](O)C2 238525481 573823579 /nfs/dbraw/zinc/82/35/79/573823579.db2.gz WCCRKFOHRZWYSZ-DOLQZWNJSA-N 0 0 170.252 1.166 10 0 ADAERN COc1c([C@@H](O)C(C)C)c(C)nn1C 87198626 573823582 /nfs/dbraw/zinc/82/35/82/573823582.db2.gz BBMBBKFRXWPYLV-VIFPVBQESA-N 0 0 198.266 1.427 10 0 ADAERN OCc1cnoc1C[C@H]1CCSC1 258431842 573823583 /nfs/dbraw/zinc/82/35/83/573823583.db2.gz FSVWINUVGXNSDB-SSDOTTSWSA-N 0 0 199.275 1.463 10 0 ADAERN CCCSc1cnn(C)c1N 87196208 573823589 /nfs/dbraw/zinc/82/35/89/573823589.db2.gz CDTBRFUFJNGAKD-UHFFFAOYSA-N 0 0 171.269 1.504 10 0 ADAERN C[C@@]12CC[C@@H](C(=O)C1)[C@@H](O)C2 238526348 573823700 /nfs/dbraw/zinc/82/37/00/573823700.db2.gz PGQZZTHCHSBGFQ-FJXKBIBVSA-N 0 0 154.209 1.127 10 0 ADAERN C[C@]12CC[C@H](C[C@@H]1NC(N)=O)C2 238525556 573823706 /nfs/dbraw/zinc/82/37/06/573823706.db2.gz ARBVVFYELDAFPJ-BKPPORCPSA-N 0 0 168.240 1.233 10 0 ADAERN OC1CC(c2ccncc2)C1 87200275 573823707 /nfs/dbraw/zinc/82/37/07/573823707.db2.gz FQHQEWRLPLSOSZ-UHFFFAOYSA-N 0 0 149.193 1.320 10 0 ADAERN CN(CC(F)F)[C@@H]1CC[C@H](O)C1 122795205 573823715 /nfs/dbraw/zinc/82/37/15/573823715.db2.gz DHQNRSQXTPBHKL-RQJHMYQMSA-N 0 0 179.210 1.097 10 0 ADAERN CCn1cc(-c2c[nH]c(=S)[nH]2)cn1 87200438 573823740 /nfs/dbraw/zinc/82/37/40/573823740.db2.gz IWLVZOPLMMOFTQ-UHFFFAOYSA-N 0 0 194.263 1.956 10 0 ADAERN CC(=O)Cc1noc(C2CC2)n1 238139798 573823761 /nfs/dbraw/zinc/82/37/61/573823761.db2.gz CMLHKMXJFQTXQQ-UHFFFAOYSA-N 0 0 166.180 1.079 10 0 ADAERN CO[C@](C)(CO)CC(C)C 258431389 573823783 /nfs/dbraw/zinc/82/37/83/573823783.db2.gz CXIQWRAEYWHRKN-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN CC(=O)Cc1ccc2c(c1)C(=O)CO2 238139546 573823789 /nfs/dbraw/zinc/82/37/89/573823789.db2.gz BIPNVUJDVHBIAS-UHFFFAOYSA-N 0 0 190.198 1.393 10 0 ADAERN CCn1ncc(SC(C)C)c1N 87196247 573823806 /nfs/dbraw/zinc/82/38/06/573823806.db2.gz MNTKDFAWAKIYRE-UHFFFAOYSA-N 0 0 185.296 1.986 10 0 ADAERN CCn1nnc(C=O)c1C1CCCC1 257884477 573823808 /nfs/dbraw/zinc/82/38/08/573823808.db2.gz VYRNOXSBVUTHJL-UHFFFAOYSA-N 0 0 193.250 1.768 10 0 ADAERN CSc1cnn(CC(C)C)c1N 87196131 573823824 /nfs/dbraw/zinc/82/38/24/573823824.db2.gz ROQLHXDGLIXNBV-UHFFFAOYSA-N 0 0 185.296 1.843 10 0 ADAERN CC(=O)S[C@@H]1CCCC(=O)C1 238130778 573823845 /nfs/dbraw/zinc/82/38/45/573823845.db2.gz BTPCHZZJTIKTPR-MRVPVSSYSA-N 0 0 172.249 1.778 10 0 ADAERN Cc1nnsc1Nc1ccccn1 238525518 573826091 /nfs/dbraw/zinc/82/60/91/573826091.db2.gz UHWWCWSEMPUDPE-UHFFFAOYSA-N 0 0 192.247 1.985 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H]2CCC[C@@H]2C[C@@H]1O 238129965 573826097 /nfs/dbraw/zinc/82/60/97/573826097.db2.gz KGITXLTVAHIBJK-ZDCRXTMVSA-N 0 0 197.278 1.062 10 0 ADAERN [NH3+][C@@H](C[C@H](F)c1ccccc1)C(=O)[O-] 257884659 573826106 /nfs/dbraw/zinc/82/61/06/573826106.db2.gz WBCWAOROYPPNRU-IUCAKERBSA-N 0 0 197.209 1.499 10 0 ADAERN Cc1nc2c(ccc3nnsc32)[nH]1 238524651 573826142 /nfs/dbraw/zinc/82/61/42/573826142.db2.gz IBHGAUYCQQXZPJ-UHFFFAOYSA-N 0 0 190.231 1.876 10 0 ADAERN Cc1nccn2c(CC3CC3)nnc12 238525148 573826163 /nfs/dbraw/zinc/82/61/63/573826163.db2.gz USOGHHMGOKVZQE-UHFFFAOYSA-N 0 0 188.234 1.385 10 0 ADAERN O=Cc1nccc(C(F)F)c1F 238526398 573826170 /nfs/dbraw/zinc/82/61/70/573826170.db2.gz PLFRSHFGDANKGO-UHFFFAOYSA-N 0 0 175.109 1.971 10 0 ADAERN C[C@]12CC[C@H]1CC[C@@H]2O 238526502 573826178 /nfs/dbraw/zinc/82/61/78/573826178.db2.gz YTSXSSIXMCKYCV-CSMHCCOUSA-N 0 0 126.199 1.557 10 0 ADAERN CC(C)(C[NH2+]CC(=O)[O-])C1=CCCC1 308756073 573826216 /nfs/dbraw/zinc/82/62/16/573826216.db2.gz SPCCEBALZOLZLR-UHFFFAOYSA-N 0 0 197.278 1.797 10 0 ADAERN CC(C)CCO[C@@H](C)C(N)=S 43515003 573826219 /nfs/dbraw/zinc/82/62/19/573826219.db2.gz KRZCXPYVODYQDO-ZETCQYMHSA-N 0 0 175.297 1.724 10 0 ADAERN COc1ncnc(OC(C)(C)C)c1N 87205947 573826227 /nfs/dbraw/zinc/82/62/27/573826227.db2.gz WCKXFRFLJGRYQX-UHFFFAOYSA-N 0 0 197.238 1.245 10 0 ADAERN Cc1c(N)cnc(C=O)c1C(F)F 238526082 573826229 /nfs/dbraw/zinc/82/62/29/573826229.db2.gz HXZWVKFVQHWSPG-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1c(C(=O)C=O)[nH]c2ccccc12 238524677 573826234 /nfs/dbraw/zinc/82/62/34/573826234.db2.gz QTYNUKRTGDDNMD-UHFFFAOYSA-N 0 0 187.198 1.858 10 0 ADAERN CC(=O)c1cc(C)c(F)cn1 238130770 573826248 /nfs/dbraw/zinc/82/62/48/573826248.db2.gz CBQIANDBFWCKTC-UHFFFAOYSA-N 0 0 153.156 1.732 10 0 ADAERN CC[C@@H](C)C[C@H](NN)c1ccnnc1 131388007 573826286 /nfs/dbraw/zinc/82/62/86/573826286.db2.gz IODRQFWCNIDLQZ-SCZZXKLOSA-N 0 0 194.282 1.417 10 0 ADAERN C[C@]12CC[C@H](O)[C@@H]1CC2 238526026 573826288 /nfs/dbraw/zinc/82/62/88/573826288.db2.gz KAJXHWRDBBLNGM-FXQIFTODSA-N 0 0 126.199 1.557 10 0 ADAERN CC[C@H](C)[C@H](CO)Nc1cccnn1 308752594 573826307 /nfs/dbraw/zinc/82/63/07/573826307.db2.gz VALSSUAPGJFVSK-IUCAKERBSA-N 0 0 195.266 1.296 10 0 ADAERN O=Cc1cncn1C1CC1 84324307 573826316 /nfs/dbraw/zinc/82/63/16/573826316.db2.gz JWCFPHILEYSKOM-UHFFFAOYSA-N 0 0 136.154 1.031 10 0 ADAERN Cc1ccc(=O)c2n[nH]c(C)c2c1 238526291 573826322 /nfs/dbraw/zinc/82/63/22/573826322.db2.gz KQMGYWBRDHDRMK-UHFFFAOYSA-N 0 0 174.203 1.540 10 0 ADAERN Cc1[nH]c2c3ncnc-3ncn2c1C 238524944 573826326 /nfs/dbraw/zinc/82/63/26/573826326.db2.gz QJQWKOOXEBYBEI-UHFFFAOYSA-N 0 0 187.206 1.222 10 0 ADAERN CC(C)=C1[C@@H]2CC(=O)[C@H]3[C@@H]2[C@@H]13 238130451 573826355 /nfs/dbraw/zinc/82/63/55/573826355.db2.gz YXLHCSUSUKTPLE-VCDKAQMESA-N 0 0 148.205 1.788 10 0 ADAERN CC(C)=CC1=NO[C@@](C)(CCO)C1 238140222 573826374 /nfs/dbraw/zinc/82/63/74/573826374.db2.gz JPIVFDGELHNZAO-JTQLQIEISA-N 0 0 183.251 1.870 10 0 ADAERN CC(=O)N[C@@H]1C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]21 238129994 573826381 /nfs/dbraw/zinc/82/63/81/573826381.db2.gz KVAKFHOMRLHIMJ-BQHMLIOBSA-N 0 0 165.236 1.167 10 0 ADAERN CC(=O)N[C@@H]1OC=C[C@H]2CCC[C@@H]21 238130845 573826384 /nfs/dbraw/zinc/82/63/84/573826384.db2.gz WEUHTVXTRJLGFC-KXUCPTDWSA-N 0 0 181.235 1.409 10 0 ADAERN CNCc1nc(Br)co1 257884999 573826397 /nfs/dbraw/zinc/82/63/97/573826397.db2.gz KZULEDTVVTWUHS-UHFFFAOYSA-N 0 0 191.028 1.157 10 0 ADAERN CC(=O)C[C@H]1COc2ccc(O)cc21 238130439 573826426 /nfs/dbraw/zinc/82/64/26/573826426.db2.gz WCDPDWXGLRNFIR-QMMMGPOBSA-N 0 0 192.214 1.847 10 0 ADAERN CC[C@H](O)c1ccc(O)cc1N 258515227 573826427 /nfs/dbraw/zinc/82/64/27/573826427.db2.gz LUQGCLSTDJKBCT-VIFPVBQESA-N 0 0 167.208 1.418 10 0 ADAERN CC(C)OCc1cnn(C(C)C)c1N 257884740 573826428 /nfs/dbraw/zinc/82/64/28/573826428.db2.gz HWKSLWVKIATTEG-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN C[Si](C)(C)CCc1nc(N)n[nH]1 238525287 573826438 /nfs/dbraw/zinc/82/64/38/573826438.db2.gz SKFZZGOHDKWTGD-UHFFFAOYSA-N 0 0 184.319 1.268 10 0 ADAERN COc1cccc(NCCCO)c1F 308751953 573826474 /nfs/dbraw/zinc/82/64/74/573826474.db2.gz UWIFFHFQZNOFPW-UHFFFAOYSA-N 0 0 199.225 1.629 10 0 ADAERN O=C1CCC(O)(C2CCOCC2)CC1 84323339 573826482 /nfs/dbraw/zinc/82/64/82/573826482.db2.gz NAQCSYQMTUSQRK-UHFFFAOYSA-N 0 0 198.262 1.287 10 0 ADAERN CC(C)CC1(CCO)OCCO1 238130891 573826497 /nfs/dbraw/zinc/82/64/97/573826497.db2.gz MOOMZCUTQHPKDW-UHFFFAOYSA-N 0 0 174.240 1.158 10 0 ADAERN Cc1cc([C@H]2CCOC2)nc(Cl)n1 238525373 573826505 /nfs/dbraw/zinc/82/65/05/573826505.db2.gz RNLFZKHUYSNILQ-ZETCQYMHSA-N 0 0 198.653 1.942 10 0 ADAERN CC(C)OCc1cc(N)nn1C(C)C 257884689 573826516 /nfs/dbraw/zinc/82/65/16/573826516.db2.gz HVHSCOHRICSXPI-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN Cc1ncn(-c2cccnc2N)c1C 238526262 573826559 /nfs/dbraw/zinc/82/65/59/573826559.db2.gz YXDLTBBJMJYOGE-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC[C@@H](C)C[C@@H](NN)c1ccnnc1 131388476 573826579 /nfs/dbraw/zinc/82/65/79/573826579.db2.gz IODRQFWCNIDLQZ-PSASIEDQSA-N 0 0 194.282 1.417 10 0 ADAERN Cn1c(=O)ccc2cc(C=O)ccc21 238524569 573826595 /nfs/dbraw/zinc/82/65/95/573826595.db2.gz HCTGKSAISRUMPE-UHFFFAOYSA-N 0 0 187.198 1.351 10 0 ADAERN CCCN[C@H](COC)c1coc(C)n1 308445082 573826617 /nfs/dbraw/zinc/82/66/17/573826617.db2.gz AELUYEYCOPFEGX-SECBINFHSA-N 0 0 198.266 1.670 10 0 ADAERN OC[C@@H]1CCCC[C@@H]1Cn1cnnc1 84319914 573826630 /nfs/dbraw/zinc/82/66/30/573826630.db2.gz RSOQMNKXKCNGIH-ZJUUUORDSA-N 0 0 195.266 1.077 10 0 ADAERN CCCC[C@H](NC1CC1)C(=O)OC 41053364 573826631 /nfs/dbraw/zinc/82/66/31/573826631.db2.gz RNJKIWHQDBLJBE-VIFPVBQESA-N 0 0 185.267 1.470 10 0 ADAERN COCCCOC(=O)[C@@H](F)C(C)C 308445202 573826691 /nfs/dbraw/zinc/82/66/91/573826691.db2.gz AXYKJELLHDGIDT-QMMMGPOBSA-N 0 0 192.230 1.560 10 0 ADAERN Cc1c(N)cccc1[C@H]1CNC(=O)C1 238524935 573826707 /nfs/dbraw/zinc/82/67/07/573826707.db2.gz FCBKBHKYKAGXIN-MRVPVSSYSA-N 0 0 190.246 1.181 10 0 ADAERN COc1ccc2c(c1F)NC[C@@H](O)C2 690063097 573826715 /nfs/dbraw/zinc/82/67/15/573826715.db2.gz STSWHHQSKJZMFC-ZETCQYMHSA-N 0 0 197.209 1.163 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1cccnc1N 122792379 573826718 /nfs/dbraw/zinc/82/67/18/573826718.db2.gz TUTSAHOIPXPPFT-SVRRBLITSA-N 0 0 163.224 1.484 10 0 ADAERN Cc1nc2c(c(=O)[nH]1)CCCCN2 238526065 573826733 /nfs/dbraw/zinc/82/67/33/573826733.db2.gz GRYJKVFEFBRQKU-UHFFFAOYSA-N 0 0 179.223 1.239 10 0 ADAERN COCCc1ncc2n1C[C@@H](C)CC2 258436333 573826769 /nfs/dbraw/zinc/82/67/69/573826769.db2.gz WLCVSYNQUAGPJV-VIFPVBQESA-N 0 0 194.278 1.654 10 0 ADAERN COC(=O)/C(=C\C(C)(C)C)NC(C)=O 223560675 573826770 /nfs/dbraw/zinc/82/67/70/573826770.db2.gz SYUTUOAFMYGDSA-SOFGYWHQSA-N 0 0 199.250 1.226 10 0 ADAERN Cn1c(=O)cnc2cc(F)ccc21 238525167 573826793 /nfs/dbraw/zinc/82/67/93/573826793.db2.gz SKMLAJZUMRWOOC-UHFFFAOYSA-N 0 0 178.166 1.073 10 0 ADAERN Cc1onc2cc(C=O)ccc12 258431791 573826796 /nfs/dbraw/zinc/82/67/96/573826796.db2.gz DBDUMFDDXMUMEK-UHFFFAOYSA-N 0 0 161.160 1.949 10 0 ADAERN C=CC(=O)NC[C@@H]1CCCC[C@@H]1CO 84318751 573826810 /nfs/dbraw/zinc/82/68/10/573826810.db2.gz SXEKFZQKVNIYLP-VHSXEESVSA-N 0 0 197.278 1.087 10 0 ADAERN CO[C@@](C)(CO)CC(C)C 258431384 573826825 /nfs/dbraw/zinc/82/68/25/573826825.db2.gz CXIQWRAEYWHRKN-MRVPVSSYSA-N 0 0 146.230 1.430 10 0 ADAERN COCC(=O)Cc1ccc(C)cc1 43504893 573826834 /nfs/dbraw/zinc/82/68/34/573826834.db2.gz RHSVKGXLKVBQJG-UHFFFAOYSA-N 0 0 178.231 1.753 10 0 ADAERN Cn1cnc(CO)c1-c1cccs1 238525181 573826851 /nfs/dbraw/zinc/82/68/51/573826851.db2.gz XOGLOJGSADHATG-UHFFFAOYSA-N 0 0 194.259 1.641 10 0 ADAERN C[C@]12CC[C@H](O)C=C1CCCC2=O 238525844 573826067 /nfs/dbraw/zinc/82/60/67/573826067.db2.gz HAHIBWIQFMLKLJ-ONGXEEELSA-N 0 0 180.247 1.827 10 0 ADAERN CC(=O)CCC1C(=O)CC(C)CC1=O 100905232 573830224 /nfs/dbraw/zinc/83/02/24/573830224.db2.gz NGJFNLVZJTYCRD-UHFFFAOYSA-N 0 0 196.246 1.540 10 0 ADAERN CC1(C)C[C@@H]1COC(=O)C1COC1 393592963 573830232 /nfs/dbraw/zinc/83/02/32/573830232.db2.gz YUEBQZYOTZGGOO-MRVPVSSYSA-N 0 0 184.235 1.222 10 0 ADAERN CC[C@H](C)C[C@H](NN)c1ccnnc1 131388261 573830239 /nfs/dbraw/zinc/83/02/39/573830239.db2.gz IODRQFWCNIDLQZ-WPRPVWTQSA-N 0 0 194.282 1.417 10 0 ADAERN CC[C@H](C)[C@@]1(O)CCSC1 84329685 573830253 /nfs/dbraw/zinc/83/02/53/573830253.db2.gz KZIDTHBIQGXKGJ-JGVFFNPUSA-N 0 0 160.282 1.901 10 0 ADAERN CCSc1ncnc(OC)c1N 87206064 573830272 /nfs/dbraw/zinc/83/02/72/573830272.db2.gz BTRYFMRBPVSTQJ-UHFFFAOYSA-N 0 0 185.252 1.179 10 0 ADAERN O=Cc1c(C(F)F)ccnc1F 238527826 573830298 /nfs/dbraw/zinc/83/02/98/573830298.db2.gz GEVBMBRSVRVBAC-UHFFFAOYSA-N 0 0 175.109 1.971 10 0 ADAERN Cc1cc(F)cc2ccnn12 238531615 573830316 /nfs/dbraw/zinc/83/03/16/573830316.db2.gz MQWATVBSHACPTQ-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN CN(CO)c1ccc(F)cc1 258965004 573830331 /nfs/dbraw/zinc/83/03/31/573830331.db2.gz UBSKNJWTCUCUDG-UHFFFAOYSA-N 0 0 155.172 1.212 10 0 ADAERN CC[C@H]([NH2+]C)C(C)(C)C(=O)[O-] 259204986 573830337 /nfs/dbraw/zinc/83/03/37/573830337.db2.gz FNTIFTSUALTJTR-LURJTMIESA-N 0 0 159.229 1.095 10 0 ADAERN OC1(c2cccc3c2COCO3)CC1 258142907 573830344 /nfs/dbraw/zinc/83/03/44/573830344.db2.gz SQRCQFCPYFGODF-UHFFFAOYSA-N 0 0 192.214 1.535 10 0 ADAERN Cc1ccc2ccc(CO)c(O)c2n1 238527869 573830346 /nfs/dbraw/zinc/83/03/46/573830346.db2.gz FTDYKSXYKFLCDF-UHFFFAOYSA-N 0 0 189.214 1.741 10 0 ADAERN Cn1nc(C=O)cc1C1CCC1 258432045 573830351 /nfs/dbraw/zinc/83/03/51/573830351.db2.gz DBUSSFPNELOJDY-UHFFFAOYSA-N 0 0 164.208 1.500 10 0 ADAERN O[C@@H]1CNc2cccc(Cl)c2C1 257886234 573830358 /nfs/dbraw/zinc/83/03/58/573830358.db2.gz MPQRHUWGEPGOPB-LURJTMIESA-N 0 0 183.638 1.669 10 0 ADAERN OC1(Cc2ccoc2)CCC1 84328387 573830394 /nfs/dbraw/zinc/83/03/94/573830394.db2.gz VJCCSBOTPWQUOB-UHFFFAOYSA-N 0 0 152.193 1.737 10 0 ADAERN Nc1cnnc(Cc2ccccc2)c1 259573102 573830395 /nfs/dbraw/zinc/83/03/95/573830395.db2.gz XNQIYKSFIODWQQ-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN O=C1[C@H](F)[C@H]2CC=C[C@@H]12 238531169 573830405 /nfs/dbraw/zinc/83/04/05/573830405.db2.gz KBWXNFURDFHFOW-KVQBGUIXSA-N 0 0 126.130 1.100 10 0 ADAERN C[C@]1(O)CNc2c(F)cccc2C1 257885114 573830409 /nfs/dbraw/zinc/83/04/09/573830409.db2.gz MOPMYDUOZUCBRP-SNVBAGLBSA-N 0 0 181.210 1.545 10 0 ADAERN CO[C@@](C)(CO)c1ccc(O)cc1 257886243 573830429 /nfs/dbraw/zinc/83/04/29/573830429.db2.gz MPYJDANHAZVEKE-JTQLQIEISA-N 0 0 182.219 1.246 10 0 ADAERN C[C@@H](O)[C@@H](C)OC[C@H]1CCCCO1 131221503 573830432 /nfs/dbraw/zinc/83/04/32/573830432.db2.gz CERSSYICQRIETF-OPRDCNLKSA-N 0 0 188.267 1.341 10 0 ADAERN COC(=O)/C=C\c1nccn1C1CC1 308450916 573830455 /nfs/dbraw/zinc/83/04/55/573830455.db2.gz NHJVLZPDPXAXGP-PLNGDYQASA-N 0 0 192.218 1.404 10 0 ADAERN Cc1cccc(N)c1[C@H]([NH3+])CC(=O)[O-] 238531454 573830471 /nfs/dbraw/zinc/83/04/71/573830471.db2.gz XPMXVTSHLPHZPW-MRVPVSSYSA-N 0 0 194.234 1.052 10 0 ADAERN Cn1cnc(NC(C)(C)C)nc1=S 238526565 573830477 /nfs/dbraw/zinc/83/04/77/573830477.db2.gz WHHXZEUVHMRMBB-UHFFFAOYSA-N 0 0 198.295 1.755 10 0 ADAERN CC[C@H](C)C1(O)CCC1 84327255 573830495 /nfs/dbraw/zinc/83/04/95/573830495.db2.gz MZNPBGQMFBLYET-ZETCQYMHSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1c(CO)cc(C(F)F)nc1N 238527598 573830509 /nfs/dbraw/zinc/83/05/09/573830509.db2.gz BGFGAYIAKATVLS-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CN[C@H](C)c1noc(CC(C)C)n1 258142534 573830520 /nfs/dbraw/zinc/83/05/20/573830520.db2.gz VNGICTYYKVJXOL-SSDOTTSWSA-N 0 0 183.255 1.549 10 0 ADAERN C[C@H](O)C(=O)Nc1cccs1 258964775 573830524 /nfs/dbraw/zinc/83/05/24/573830524.db2.gz YGSUENBEJOQDHS-YFKPBYRVSA-N 0 0 171.221 1.067 10 0 ADAERN O=C1COCc2ccc(Cl)nc2N1 238531150 573830534 /nfs/dbraw/zinc/83/05/34/573830534.db2.gz SPKGRFGLDADPHK-UHFFFAOYSA-N 0 0 198.609 1.204 10 0 ADAERN CCC1(NC(=O)n2ccnc2)CCC1 224711184 573830535 /nfs/dbraw/zinc/83/05/35/573830535.db2.gz GPJDCRBRSBKMHS-UHFFFAOYSA-N 0 0 193.250 1.774 10 0 ADAERN CC(C)(C)Cc1nnc2cnccn12 100895273 573830555 /nfs/dbraw/zinc/83/05/55/573830555.db2.gz NZFDRFXSHJNQGA-UHFFFAOYSA-N 0 0 190.250 1.713 10 0 ADAERN Nc1cnnn1-c1cccc(Cl)c1 257885255 573830574 /nfs/dbraw/zinc/83/05/74/573830574.db2.gz WCKFLNYOLVBSJD-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CC(C)CCC[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 258961486 573830582 /nfs/dbraw/zinc/83/05/82/573830582.db2.gz VZURERNAVGVFGP-NXEZZACHSA-N 0 0 199.294 1.733 10 0 ADAERN Nc1ccc([C@@H]2CCOC2)nc1Cl 258143516 573830590 /nfs/dbraw/zinc/83/05/90/573830590.db2.gz RGPKHWKZWSMGLC-ZCFIWIBFSA-N 0 0 198.653 1.821 10 0 ADAERN O=C(c1cncs1)C1CC1 84328571 573830591 /nfs/dbraw/zinc/83/05/91/573830591.db2.gz GHGKOGCPTRTBBA-UHFFFAOYSA-N 0 0 153.206 1.736 10 0 ADAERN CC1(C)COc2c(CO)cccc2N1 258432022 573830598 /nfs/dbraw/zinc/83/05/98/573830598.db2.gz FUNVPUKMRWVXDZ-UHFFFAOYSA-N 0 0 193.246 1.762 10 0 ADAERN Cc1c(N)cncc1C(F)F 238526514 573830600 /nfs/dbraw/zinc/83/06/00/573830600.db2.gz NXBWBEXEFCEHDP-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN CC(C)Cc1nnc2cnccn12 100895551 573830601 /nfs/dbraw/zinc/83/06/01/573830601.db2.gz KALORHXGGOEKFW-UHFFFAOYSA-N 0 0 176.223 1.323 10 0 ADAERN CCCn1ncnc1C(=O)[C@@H](C)CC 308446331 573830611 /nfs/dbraw/zinc/83/06/11/573830611.db2.gz AQDCAWSZNNKPPA-QMMMGPOBSA-N 0 0 195.266 1.917 10 0 ADAERN O=C1CCC[C@H]([C@H]2CCCO2)C1 222716095 573830624 /nfs/dbraw/zinc/83/06/24/573830624.db2.gz MHOXAOANOSWBMI-WCBMZHEXSA-N 0 0 168.236 1.925 10 0 ADAERN C[C@@]12C=C[C@@](O)(CC1)[C@@H](CO)C2 238527111 573830636 /nfs/dbraw/zinc/83/06/36/573830636.db2.gz HCPOLUBTWHRZQQ-OPRDCNLKSA-N 0 0 168.236 1.086 10 0 ADAERN Nc1noc(C[C@H]2CCCSC2)n1 258144663 573830637 /nfs/dbraw/zinc/83/06/37/573830637.db2.gz VPGVUYBPUGXEBY-ZCFIWIBFSA-N 0 0 199.279 1.338 10 0 ADAERN CC(=O)[C@@H](N)c1ccc2[nH]cnc2c1 259206163 573830639 /nfs/dbraw/zinc/83/06/39/573830639.db2.gz IMNSCDSLJSRZEI-SNVBAGLBSA-N 0 0 189.218 1.152 10 0 ADAERN O=C([O-])[C@@H]1C[NH2+][C@@H]1c1cccc(F)c1 257885204 573830641 /nfs/dbraw/zinc/83/06/41/573830641.db2.gz WBODQWTTXFLPJS-RKDXNWHRSA-N 0 0 195.193 1.171 10 0 ADAERN CC(=O)CCCNc1ccccn1 258961441 573830643 /nfs/dbraw/zinc/83/06/43/573830643.db2.gz SXBOLUGSPMVWNG-UHFFFAOYSA-N 0 0 178.235 1.863 10 0 ADAERN Cn1c(=S)[nH]c(=S)c2nc[nH]c21 238527440 573830653 /nfs/dbraw/zinc/83/06/53/573830653.db2.gz CEFAIWNRABCQMQ-UHFFFAOYSA-N 0 0 198.276 1.315 10 0 ADAERN CCCOC(=O)CN1CCC[C@@H]1C 308446116 573830662 /nfs/dbraw/zinc/83/06/62/573830662.db2.gz BGVGMGAAKVEDSV-VIFPVBQESA-N 0 0 185.267 1.424 10 0 ADAERN O=c1oc2ccc(F)cc2s1 238527897 573830670 /nfs/dbraw/zinc/83/06/70/573830670.db2.gz WWUFNEYKANMNFF-UHFFFAOYSA-N 0 0 170.164 1.994 10 0 ADAERN CCCC(=O)[C@@H](C(=O)OC)C(C)C 43502613 573830677 /nfs/dbraw/zinc/83/06/77/573830677.db2.gz NGJDGCNMNQGIRZ-VIFPVBQESA-N 0 0 186.251 1.801 10 0 ADAERN Cc1cncc(C(F)F)c1CO 238540119 573830678 /nfs/dbraw/zinc/83/06/78/573830678.db2.gz HIAPDWXCHKVFPB-UHFFFAOYSA-N 0 0 173.162 1.820 10 0 ADAERN Cc1ccc2ccc(C=O)n2c(=O)c1 238527636 573830684 /nfs/dbraw/zinc/83/06/84/573830684.db2.gz YKKIRBWMQHJZSI-UHFFFAOYSA-N 0 0 187.198 1.420 10 0 ADAERN CC[C@@H](C)C1(O)CCC1 84327253 573830690 /nfs/dbraw/zinc/83/06/90/573830690.db2.gz MZNPBGQMFBLYET-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1ccc([C@@]2(C)NN=C(N)S2)o1 238526960 573830694 /nfs/dbraw/zinc/83/06/94/573830694.db2.gz HCLHZSSYFYWIAA-QMMMGPOBSA-N 0 0 197.263 1.327 10 0 ADAERN Cc1ccc(O)c(C2=NCCO2)c1 238527876 573830727 /nfs/dbraw/zinc/83/07/27/573830727.db2.gz SUCFECGEGQQYLX-UHFFFAOYSA-N 0 0 177.203 1.477 10 0 ADAERN Fc1ncccc1N1CCOCC1 143487658 573830732 /nfs/dbraw/zinc/83/07/32/573830732.db2.gz ROPURJQYEYKJDZ-UHFFFAOYSA-N 0 0 182.198 1.057 10 0 ADAERN CC(=O)N[C@H]1CO[C@@H]1c1ccccc1 238147621 573830735 /nfs/dbraw/zinc/83/07/35/573830735.db2.gz UBXZDXOBVPXQAK-WDEREUQCSA-N 0 0 191.230 1.263 10 0 ADAERN Cc1cc(OC(C)C)c2ncnn2c1 238148610 573830750 /nfs/dbraw/zinc/83/07/50/573830750.db2.gz SNJMTCDDWOLFFS-UHFFFAOYSA-N 0 0 191.234 1.825 10 0 ADAERN CC/C=C\C[C@@H](O)CCO 14616838 573830768 /nfs/dbraw/zinc/83/07/68/573830768.db2.gz QTHIKVMVWXLPKQ-TUUFMJSCSA-N 0 0 144.214 1.086 10 0 endogenous,in-man ADAERN Cc1nc([C@H]2C[C@H]2CO)co1 238531177 573830769 /nfs/dbraw/zinc/83/07/69/573830769.db2.gz VSDFCOWIYJCTGV-BQBZGAKWSA-N 0 0 153.181 1.079 10 0 ADAERN COc1ccc2c(c1F)NC[C@H](O)C2 690063094 573830784 /nfs/dbraw/zinc/83/07/84/573830784.db2.gz STSWHHQSKJZMFC-SSDOTTSWSA-N 0 0 197.209 1.163 10 0 ADAERN Cc1nc(CO)cc(C(F)F)c1N 238527789 573830785 /nfs/dbraw/zinc/83/07/85/573830785.db2.gz LVGNGIZBEVGBBG-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN CC(C)CCC[NH2+]C[C@H]1C[C@@H]1C(=O)[O-] 258961495 573830787 /nfs/dbraw/zinc/83/07/87/573830787.db2.gz VZURERNAVGVFGP-ZJUUUORDSA-N 0 0 199.294 1.733 10 0 ADAERN Cc1nc(CO)cc(C(F)(F)F)n1 238527459 573830793 /nfs/dbraw/zinc/83/07/93/573830793.db2.gz HJKAMYYICPBWIH-UHFFFAOYSA-N 0 0 192.140 1.296 10 0 ADAERN Nc1c(F)cc(F)c(Cl)c1N 100891800 573830815 /nfs/dbraw/zinc/83/08/15/573830815.db2.gz UCUCBRBPANDTBN-UHFFFAOYSA-N 0 0 178.569 1.783 10 0 ADAERN CCN1C[C@@H](CC(C)C)N(C)C1=O 259205708 573830852 /nfs/dbraw/zinc/83/08/52/573830852.db2.gz BIEWBHSXZMZUCU-SECBINFHSA-N 0 0 184.283 1.788 10 0 ADAERN CO[C@@H](Cn1cc(C)c(N)n1)C(C)C 381838075 573830858 /nfs/dbraw/zinc/83/08/58/573830858.db2.gz AZRBDKNRPFXIQD-VIFPVBQESA-N 0 0 197.282 1.275 10 0 ADAERN Cc1nc(CO)c(C(F)F)cc1F 238526746 573830879 /nfs/dbraw/zinc/83/08/79/573830879.db2.gz DLBDZBBILRKIRA-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN COc1ncnc(NC2CCC2)c1N 87205626 573830897 /nfs/dbraw/zinc/83/08/97/573830897.db2.gz RJNFWWUFPQUCBF-UHFFFAOYSA-N 0 0 194.238 1.032 10 0 ADAERN CCn1c(=NN)[nH]c2cccc(C)c21 258149748 573830906 /nfs/dbraw/zinc/83/09/06/573830906.db2.gz LIOARTLIKAOIRG-UHFFFAOYSA-N 0 0 190.250 1.650 10 0 ADAERN Cc1c(C(F)F)cc(C=O)nc1N 238527936 573830910 /nfs/dbraw/zinc/83/09/10/573830910.db2.gz JFHOOJMXURYXIH-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN CC(C)Sc1ncc(N)n1C 258144583 573830913 /nfs/dbraw/zinc/83/09/13/573830913.db2.gz LBNXUSJRSKTQTH-UHFFFAOYSA-N 0 0 171.269 1.503 10 0 ADAERN CC(=O)c1ccccc1CCO 238148801 573830938 /nfs/dbraw/zinc/83/09/38/573830938.db2.gz UMGJLKUCELUSEG-UHFFFAOYSA-N 0 0 164.204 1.424 10 0 ADAERN C[C@H](O)c1cnc(-c2ccccn2)o1 258142068 573830962 /nfs/dbraw/zinc/83/09/62/573830962.db2.gz PZALLGUONWNJMY-ZETCQYMHSA-N 0 0 190.202 1.790 10 0 ADAERN Cc1nn(C)cc1-c1c[nH]c(=S)[nH]1 87200707 573830966 /nfs/dbraw/zinc/83/09/66/573830966.db2.gz BCGQGKYDBHCEIE-UHFFFAOYSA-N 0 0 194.263 1.781 10 0 ADAERN C[Si](C)(C)C[C@H]1CC(N)=NO1 238527365 573830986 /nfs/dbraw/zinc/83/09/86/573830986.db2.gz KHNGZUVBMJIFFI-ZCFIWIBFSA-N 0 0 172.304 1.386 10 0 ADAERN CC[C@H](C)[C@]1(O)CCSC1 84329681 573830997 /nfs/dbraw/zinc/83/09/97/573830997.db2.gz KZIDTHBIQGXKGJ-YUMQZZPRSA-N 0 0 160.282 1.901 10 0 ADAERN CC(C)C[C@H](/C=C/C[NH3+])C(=O)[O-] 238146555 573831005 /nfs/dbraw/zinc/83/10/05/573831005.db2.gz ZFSRNMKILKWSCO-RTMURIBGSA-N 0 0 171.240 1.248 10 0 ADAERN CC[C@H](C)[C@@]1(O)CCOC1 84327910 573831006 /nfs/dbraw/zinc/83/10/06/573831006.db2.gz NDIHQBFOZFTDGU-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN O=C([O-])/C=C/C=C1\CC[N@@H+]2CCC[C@@H]12 308446256 573831015 /nfs/dbraw/zinc/83/10/15/573831015.db2.gz IDMNPIIODLIFNS-IMGWMYBOSA-N 0 0 193.246 1.422 10 0 ADAERN C[C@@H]1CN(C)c2c(CON)cccc21 258143855 573831021 /nfs/dbraw/zinc/83/10/21/573831021.db2.gz QOQOJCHILVPVSW-MRVPVSSYSA-N 0 0 192.262 1.630 10 0 ADAERN Cc1cnc(N)cc1C(F)F 238531514 573831024 /nfs/dbraw/zinc/83/10/24/573831024.db2.gz HOIYAOLSNZWTDP-UHFFFAOYSA-N 0 0 158.151 1.910 10 0 ADAERN COc1c(CCO)ccc(C)c1O 258142908 573831818 /nfs/dbraw/zinc/83/18/18/573831818.db2.gz SQRVPPHZPYARNY-UHFFFAOYSA-N 0 0 182.219 1.244 10 0 ADAERN CC(=O)C[C@H]1Cc2cc(O)ccc2O1 258143984 573831035 /nfs/dbraw/zinc/83/10/35/573831035.db2.gz QPEUPFLZZYMUAR-JTQLQIEISA-N 0 0 192.214 1.675 10 0 ADAERN CC(C)Nc1ncc(N)o1 257886390 573831036 /nfs/dbraw/zinc/83/10/36/573831036.db2.gz LHVHIZDJQTVLCN-UHFFFAOYSA-N 0 0 141.174 1.077 10 0 ADAERN Cc1cc([C@H]2CNC(=O)C2)oc1C 238526788 573831038 /nfs/dbraw/zinc/83/10/38/573831038.db2.gz DPRPBFVAKUKXIS-MRVPVSSYSA-N 0 0 179.219 1.500 10 0 ADAERN COCC(=O)CCc1ccc(F)cc1 43504854 573831041 /nfs/dbraw/zinc/83/10/41/573831041.db2.gz IBPHSVOCXNBILG-UHFFFAOYSA-N 0 0 196.221 1.974 10 0 ADAERN CNc1nc(C)nnc1C1CCCC1 259205327 573831047 /nfs/dbraw/zinc/83/10/47/573831047.db2.gz NKEDEDSFAIPOKX-UHFFFAOYSA-N 0 0 192.266 1.879 10 0 ADAERN CN(C)c1cccc(F)c1C(=O)CN 258143096 573831048 /nfs/dbraw/zinc/83/10/48/573831048.db2.gz STPVSBVPTIIOAE-UHFFFAOYSA-N 0 0 196.225 1.033 10 0 ADAERN Nc1c(Cl)cc(F)c(F)c1N 100891801 573831060 /nfs/dbraw/zinc/83/10/60/573831060.db2.gz WBZUCPUZSUULMZ-UHFFFAOYSA-N 0 0 178.569 1.783 10 0 ADAERN CC[C@@H](CO)CCCCOC 131410704 573831069 /nfs/dbraw/zinc/83/10/69/573831069.db2.gz ILBDCEGBYFDDEU-SECBINFHSA-N 0 0 160.257 1.822 10 0 ADAERN Cc1nc(OC2CC2)c[nH]1 238526733 573831072 /nfs/dbraw/zinc/83/10/72/573831072.db2.gz LZCBCSLXIAPNDL-UHFFFAOYSA-N 0 0 138.170 1.259 10 0 ADAERN CCSCC1=CS(=O)(=O)C=N1 258142215 573831078 /nfs/dbraw/zinc/83/10/78/573831078.db2.gz KXZWAJAMEKYREJ-UHFFFAOYSA-N 0 0 191.277 1.038 10 0 ADAERN C[C@H](CO)c1ccc2c(c1F)CCO2 258142941 573831111 /nfs/dbraw/zinc/83/11/11/573831111.db2.gz SQZIPDFMJDINJX-SSDOTTSWSA-N 0 0 196.221 1.856 10 0 ADAERN CC[C@]1(O)CCSC1 84327368 573831148 /nfs/dbraw/zinc/83/11/48/573831148.db2.gz FEALZWNAFHKZTL-LURJTMIESA-N 0 0 132.228 1.264 10 0 ADAERN CSc1ncnc(OC(C)C)c1N 87206869 573831162 /nfs/dbraw/zinc/83/11/62/573831162.db2.gz ZTBJPFFEAKVQDI-UHFFFAOYSA-N 0 0 199.279 1.568 10 0 ADAERN OCNc1ccc(F)c(F)c1 258965151 573831177 /nfs/dbraw/zinc/83/11/77/573831177.db2.gz UFHVHFSVDSVAFQ-UHFFFAOYSA-N 0 0 159.135 1.327 10 0 ADAERN Nc1ccc2cccc(C=O)c2n1 257886278 573831184 /nfs/dbraw/zinc/83/11/84/573831184.db2.gz MQXIVKDNXZXSQA-UHFFFAOYSA-N 0 0 172.187 1.630 10 0 ADAERN O=Cc1nccc2ncnc(Cl)c12 238526813 573831201 /nfs/dbraw/zinc/83/12/01/573831201.db2.gz DGKVDFTXFMMFII-UHFFFAOYSA-N 0 0 193.593 1.491 10 0 ADAERN CC/C=C(\C)C(=O)N(C)C[C@H](C)CO 688721230 573831825 /nfs/dbraw/zinc/83/18/25/573831825.db2.gz PTRRAUWINRGPEP-CMWXKVOJSA-N 0 0 199.294 1.430 10 0 ADAERN COCc1cc(Cl)c(OC)nn1 259573143 573831225 /nfs/dbraw/zinc/83/12/25/573831225.db2.gz YAZLADMXSNXOLX-UHFFFAOYSA-N 0 0 188.614 1.285 10 0 ADAERN Nc1noc(-c2cccc(O)c2)n1 258151116 573831230 /nfs/dbraw/zinc/83/12/30/573831230.db2.gz WASVWEBBWJYSAT-UHFFFAOYSA-N 0 0 177.163 1.024 10 0 ADAERN CCCC1(O)CCC1 84327095 573831236 /nfs/dbraw/zinc/83/12/36/573831236.db2.gz CAMAAJDNQREQSV-UHFFFAOYSA-N 0 0 114.188 1.702 10 0 ADAERN CC[C@H](C)[C@@]1(O)CCCOC1 84329462 573831248 /nfs/dbraw/zinc/83/12/48/573831248.db2.gz UNZZQAAGHJAZHS-DTWKUNHWSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)CC1(O)CCC1 84327252 573831255 /nfs/dbraw/zinc/83/12/55/573831255.db2.gz MKTZAUQNKJXRGG-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN Cc1nc(CO)c(F)cc1C(F)F 238527110 573831259 /nfs/dbraw/zinc/83/12/59/573831259.db2.gz LPCMCHFOQYFMJE-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN S=c1c(Cl)cnc2[nH]cnn12 238531617 573831831 /nfs/dbraw/zinc/83/18/31/573831831.db2.gz WTOUGMYVZBXPGT-UHFFFAOYSA-N 0 0 186.627 1.440 10 0 ADAERN C[C@]12CC[C@]1(C)OC(=O)N2 238527166 573831312 /nfs/dbraw/zinc/83/13/12/573831312.db2.gz PSJIUGMPHUTZQD-BQBZGAKWSA-N 0 0 141.170 1.037 10 0 ADAERN CC(=O)N[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]21 238148910 573831313 /nfs/dbraw/zinc/83/13/13/573831313.db2.gz JBSRXWWWDDOZPL-SVNGYHJRSA-N 0 0 193.290 1.947 10 0 ADAERN CC(=O)N1C(=O)NC(C)(C)C1(C)C 238147152 573831322 /nfs/dbraw/zinc/83/13/22/573831322.db2.gz JCSNGQSCTDCKSO-UHFFFAOYSA-N 0 0 184.239 1.115 10 0 ADAERN O=C1CCC[C@@H]([C@H]2CCCO2)C1 222716155 573831362 /nfs/dbraw/zinc/83/13/62/573831362.db2.gz MHOXAOANOSWBMI-PSASIEDQSA-N 0 0 168.236 1.925 10 0 ADAERN CN1CCCNc2c(N)cccc21 258432047 573831369 /nfs/dbraw/zinc/83/13/69/573831369.db2.gz FVCAHFDOKSWZNT-UHFFFAOYSA-N 0 0 177.251 1.521 10 0 ADAERN C[C@H](CO)c1ccc2c(c1O)CCC2 258142956 573831381 /nfs/dbraw/zinc/83/13/81/573831381.db2.gz SRKYOOLODGMTBL-MRVPVSSYSA-N 0 0 192.258 1.977 10 0 ADAERN C#[N+]c1cccc(=O)[n-]1 100860376 573831396 /nfs/dbraw/zinc/83/13/96/573831396.db2.gz KVICLNUHAIWNMS-UHFFFAOYSA-N 0 0 120.111 1.338 10 0 ADAERN CN(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 125211025 573831431 /nfs/dbraw/zinc/83/14/31/573831431.db2.gz PMPAGYYYJOFETI-DJLDLDEBSA-N 0 0 182.267 1.446 10 0 ADAERN CCn1cc(CO)c2c(N)cccc21 258142813 573831432 /nfs/dbraw/zinc/83/14/32/573831432.db2.gz WBUOVGJDNZGPBS-UHFFFAOYSA-N 0 0 190.246 1.736 10 0 ADAERN Cc1c(N)[nH]c(C(F)F)cc1=O 238527761 573831440 /nfs/dbraw/zinc/83/14/40/573831440.db2.gz YLAUYAGQOSDVAE-UHFFFAOYSA-N 0 0 174.150 1.615 10 0 ADAERN C[C@@H](CO)c1ccc2c(c1O)CCC2 258142960 573831444 /nfs/dbraw/zinc/83/14/44/573831444.db2.gz SRKYOOLODGMTBL-QMMMGPOBSA-N 0 0 192.258 1.977 10 0 ADAERN O=C1O[C@@H](CCO)CN1C1CCCC1 258144058 573831471 /nfs/dbraw/zinc/83/14/71/573831471.db2.gz XOJKHQXDSHLDBG-VIFPVBQESA-N 0 0 199.250 1.132 10 0 ADAERN CC[C@@H](C)[C@]1(O)CCCOC1 84329457 573831473 /nfs/dbraw/zinc/83/14/73/573831473.db2.gz UNZZQAAGHJAZHS-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cc(C)c(NCNN)cc1C 258962044 573831493 /nfs/dbraw/zinc/83/14/93/573831493.db2.gz ASDMMQPKKPPBLI-UHFFFAOYSA-N 0 0 179.267 1.445 10 0 ADAERN Cn1nncc1[C@H](O)CC1CCCC1 125211519 573831506 /nfs/dbraw/zinc/83/15/06/573831506.db2.gz KEZVCJFNPOJECI-SNVBAGLBSA-N 0 0 195.266 1.429 10 0 ADAERN C[N@@H+]1CCC[C@H](/C=C/C=C/C(=O)[O-])C1 259205984 573831554 /nfs/dbraw/zinc/83/15/54/573831554.db2.gz ILCTUMJKSDIGLH-LMSAEOKSSA-N 0 0 195.262 1.525 10 0 ADAERN Cc1cc2c(c(C(C)(C)O)c1)OCO2 258142887 573831570 /nfs/dbraw/zinc/83/15/70/573831570.db2.gz SPPIDXRUNRSCQE-UHFFFAOYSA-N 0 0 194.230 1.951 10 0 ADAERN CCN(C(=O)c1cnoc1)C1CC1 308451047 573831574 /nfs/dbraw/zinc/83/15/74/573831574.db2.gz DMWNGIVSINUNHS-UHFFFAOYSA-N 0 0 180.207 1.299 10 0 ADAERN CC(C)(C)[C@@H](O)[C@@H]1CCC1=O 238148411 573831585 /nfs/dbraw/zinc/83/15/85/573831585.db2.gz AAZZBLBTQMSTBK-SVRRBLITSA-N 0 0 156.225 1.373 10 0 ADAERN CCOCCN(C)c1cccc(N)c1 41067580 573831606 /nfs/dbraw/zinc/83/16/06/573831606.db2.gz DAIMAFUZKHZQNS-UHFFFAOYSA-N 0 0 194.278 1.742 10 0 ADAERN CC(C)C[C@@]1(O)CCSC1 84329676 573831612 /nfs/dbraw/zinc/83/16/12/573831612.db2.gz UWRLIGSSXOHCCW-QMMMGPOBSA-N 0 0 160.282 1.901 10 0 ADAERN OCCCc1ccccc1C1COC1 258143067 573831621 /nfs/dbraw/zinc/83/16/21/573831621.db2.gz STEQYCDTODSMQC-UHFFFAOYSA-N 0 0 192.258 1.725 10 0 ADAERN Nc1ccc2c(c1)OCC[C@H]2CO 257885037 573831698 /nfs/dbraw/zinc/83/16/98/573831698.db2.gz MOABDWHOIRCPIV-ZETCQYMHSA-N 0 0 179.219 1.127 10 0 ADAERN Clc1ccc2c(n1)NCCOC2 238531189 573831723 /nfs/dbraw/zinc/83/17/23/573831723.db2.gz UCWUDFHQFUVSPV-UHFFFAOYSA-N 0 0 184.626 1.677 10 0 ADAERN CC1(C)CCC[C@H]1[C@H]1CC(=O)NC1=O 125211656 573831747 /nfs/dbraw/zinc/83/17/47/573831747.db2.gz CGUOJJOYEXEMMU-SFYZADRCSA-N 0 0 195.262 1.475 10 0 ADAERN COCc1cccc(C[C@H](C)O)c1O 258143133 573831758 /nfs/dbraw/zinc/83/17/58/573831758.db2.gz SUGADHVKBHYIDC-QMMMGPOBSA-N 0 0 196.246 1.462 10 0 ADAERN CC[C@@H](C)[C@@]1(O)CCCOC1 84329461 573831761 /nfs/dbraw/zinc/83/17/61/573831761.db2.gz UNZZQAAGHJAZHS-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN C[NH2+][C@H]1CCc2cccc(C(=O)[O-])c21 257886507 573831770 /nfs/dbraw/zinc/83/17/70/573831770.db2.gz WIEIREKMXQKLJN-VIFPVBQESA-N 0 0 191.230 1.592 10 0 ADAERN Cc1nc(CO)c(Br)o1 238526561 573831771 /nfs/dbraw/zinc/83/17/71/573831771.db2.gz NLYSKJZTFIRLTB-UHFFFAOYSA-N 0 0 192.012 1.238 10 0 ADAERN CCC(C)(C)c1nnc2cnccn12 100895552 573831773 /nfs/dbraw/zinc/83/17/73/573831773.db2.gz KMDNXQIZUHEQGB-UHFFFAOYSA-N 0 0 190.250 1.812 10 0 ADAERN CC(C)C[C@]1(O)CCSC1 84329674 573831779 /nfs/dbraw/zinc/83/17/79/573831779.db2.gz UWRLIGSSXOHCCW-MRVPVSSYSA-N 0 0 160.282 1.901 10 0 ADAERN CC[C@H](OCc1ccco1)C(N)=S 43541367 573831788 /nfs/dbraw/zinc/83/17/88/573831788.db2.gz KBBIZZFBZLDDAV-QMMMGPOBSA-N 0 0 199.275 1.861 10 0 ADAERN OCC1(c2ccco2)CC1 84327434 573831790 /nfs/dbraw/zinc/83/17/90/573831790.db2.gz RKGRMIAHZFQFKA-UHFFFAOYSA-N 0 0 138.166 1.304 10 0 ADAERN CC(=O)N[C@H]1CO[C@H]1c1ccccc1 238147780 573831801 /nfs/dbraw/zinc/83/18/01/573831801.db2.gz UBXZDXOBVPXQAK-QWRGUYRKSA-N 0 0 191.230 1.263 10 0 ADAERN O=C1O[C@H](CCO)CN1C1CCCC1 258144055 573831802 /nfs/dbraw/zinc/83/18/02/573831802.db2.gz XOJKHQXDSHLDBG-SECBINFHSA-N 0 0 199.250 1.132 10 0 ADAERN Cc1nc(OC2CCC2)cn1C 238526943 573831809 /nfs/dbraw/zinc/83/18/09/573831809.db2.gz MAHJCEGPUSKKMC-UHFFFAOYSA-N 0 0 166.224 1.660 10 0 ADAERN CC[C@@]1(O)CCSC1 84327369 573831810 /nfs/dbraw/zinc/83/18/10/573831810.db2.gz FEALZWNAFHKZTL-ZCFIWIBFSA-N 0 0 132.228 1.264 10 0 ADAERN CC(C)CC[C@@H]1C[NH2+]CC[C@H]1C(=O)[O-] 214989331 573831811 /nfs/dbraw/zinc/83/18/11/573831811.db2.gz CSDDQRZPWWHWGG-NXEZZACHSA-N 0 0 199.294 1.733 10 0 ADAERN CC[C@H](C)C1(O)CCOCC1 84329455 573831850 /nfs/dbraw/zinc/83/18/50/573831850.db2.gz CIFAHYGUZHCVKS-QMMMGPOBSA-N 0 0 158.241 1.574 10 0 ADAERN OC1(c2ccc3c(c2)OCOC3)CC1 258143103 573831857 /nfs/dbraw/zinc/83/18/57/573831857.db2.gz STRROGOEMQCHCZ-UHFFFAOYSA-N 0 0 192.214 1.535 10 0 ADAERN CC[C@@H](OCC(C)C)C(N)=S 43541419 573831868 /nfs/dbraw/zinc/83/18/68/573831868.db2.gz PFSNVLDPVMNYHW-SSDOTTSWSA-N 0 0 175.297 1.724 10 0 ADAERN CCC[C@]1(O)CCSC1 84328013 573831872 /nfs/dbraw/zinc/83/18/72/573831872.db2.gz SMVQFEJTLWSONB-ZETCQYMHSA-N 0 0 146.255 1.655 10 0 ADAERN C[C@]1(C[C@H]2CCCO2)C[C@@H]1CO 689825863 573831873 /nfs/dbraw/zinc/83/18/73/573831873.db2.gz RENDKXSDGMOLSE-OPRDCNLKSA-N 0 0 170.252 1.574 10 0 ADAERN Cc1nc(CO)cc(F)c1C(F)F 238528016 573831879 /nfs/dbraw/zinc/83/18/79/573831879.db2.gz QLXAPWSDJAEGJY-UHFFFAOYSA-N 0 0 191.152 1.959 10 0 ADAERN OC1(c2ccco2)CCC1 84327433 573831896 /nfs/dbraw/zinc/83/18/96/573831896.db2.gz LMDZMJVIFHMSDZ-UHFFFAOYSA-N 0 0 138.166 1.651 10 0 ADAERN CNc1ccc(N(C)C(=O)OC)cn1 259206457 573831922 /nfs/dbraw/zinc/83/19/22/573831922.db2.gz QBVXGTUAOCVJAE-UHFFFAOYSA-N 0 0 195.222 1.326 10 0 ADAERN CC(C)(C)c1nnc2cnccn12 100895472 573831928 /nfs/dbraw/zinc/83/19/28/573831928.db2.gz ZTTVUNIEYGPJRH-UHFFFAOYSA-N 0 0 176.223 1.422 10 0 ADAERN Cn1c(=S)[nH]c2c(=S)[nH]cnc21 238527263 573831949 /nfs/dbraw/zinc/83/19/49/573831949.db2.gz MJXNELIQXKWNPC-UHFFFAOYSA-N 0 0 198.276 1.688 10 0 ADAERN CC[C@@H](C)Cc1nnc2cnccn12 100895573 573831952 /nfs/dbraw/zinc/83/19/52/573831952.db2.gz MEOGHSPHNZOJIR-MRVPVSSYSA-N 0 0 190.250 1.713 10 0 ADAERN CC[C@H](C)[C@H](O)[C@]1(C)CCCO1 87227375 573831956 /nfs/dbraw/zinc/83/19/56/573831956.db2.gz SYPUWUIEJDNLHZ-GUBZILKMSA-N 0 0 172.268 1.963 10 0 ADAERN CC/C=C(/C)C(=O)N(C)C[C@H](C)CO 688721231 573831966 /nfs/dbraw/zinc/83/19/66/573831966.db2.gz PTRRAUWINRGPEP-LKJZUNMESA-N 0 0 199.294 1.430 10 0 ADAERN CN1c2cccc(F)c2C[C@H]1CON 258144517 573831971 /nfs/dbraw/zinc/83/19/71/573831971.db2.gz LAEKEPLMUSEDFH-ZETCQYMHSA-N 0 0 196.225 1.077 10 0 ADAERN C=Cc1nc([C@]2(C)CCCO2)no1 87226348 573832014 /nfs/dbraw/zinc/83/20/14/573832014.db2.gz VMXWBUSBYGNOPO-VIFPVBQESA-N 0 0 180.207 1.738 10 0 ADAERN CC(=O)CN1CCc2cnccc21 258143319 573832040 /nfs/dbraw/zinc/83/20/40/573832040.db2.gz OSTUMDQFMINULE-UHFFFAOYSA-N 0 0 176.219 1.033 10 0 ADAERN Cc1nc2c(C)cnn2c(C)c1C 222165043 573832041 /nfs/dbraw/zinc/83/20/41/573832041.db2.gz OVJTWFZVCCTXQZ-UHFFFAOYSA-N 0 0 175.235 1.963 10 0 ADAERN Nc1c(C2CCCCCC2)ncn1N 84328764 573832056 /nfs/dbraw/zinc/83/20/56/573832056.db2.gz WGNSXZSJYZJSDG-UHFFFAOYSA-N 0 0 194.282 1.617 10 0 ADAERN CCc1cc(CNOC)ccc1OC 258142950 573832061 /nfs/dbraw/zinc/83/20/61/573832061.db2.gz SRGPWPPXCRVJMX-UHFFFAOYSA-N 0 0 195.262 1.909 10 0 ADAERN Cc1nc(CO)c(N)cc1C(F)F 238527195 573832062 /nfs/dbraw/zinc/83/20/62/573832062.db2.gz ZRVWLWLLAZKOJE-UHFFFAOYSA-N 0 0 188.177 1.402 10 0 ADAERN Cc1oc(N)nc1[C@H]1CCCCN1C 258150977 573832068 /nfs/dbraw/zinc/83/20/68/573832068.db2.gz RZQAGNGRPHSDLV-MRVPVSSYSA-N 0 0 195.266 1.722 10 0 ADAERN C[C@@]1([C@@H](O)C2CC2)CCCO1 87227055 573832070 /nfs/dbraw/zinc/83/20/70/573832070.db2.gz XFLJSZXEKMHMOP-IUCAKERBSA-N 0 0 156.225 1.326 10 0 ADAERN COC(=O)[C@]1(NC(C)C)CC[C@@H]2C[C@@H]21 308445999 573832083 /nfs/dbraw/zinc/83/20/83/573832083.db2.gz ANCIEVATNGMUCO-YWVKMMECSA-N 0 0 197.278 1.326 10 0 ADAERN Cn1nccc1[C@@H](O)[C@]1(C)CCCO1 87227423 573832095 /nfs/dbraw/zinc/83/20/95/573832095.db2.gz QCXDXTQVYRGZQW-ZJUUUORDSA-N 0 0 196.250 1.023 10 0 ADAERN Nc1cnnn1-c1ccccc1Cl 257885209 573832097 /nfs/dbraw/zinc/83/20/97/573832097.db2.gz WBSWVHDZHUXVDS-UHFFFAOYSA-N 0 0 194.625 1.503 10 0 ADAERN CC[C@H](C)[C@]1(O)CCOC1 84327905 573832128 /nfs/dbraw/zinc/83/21/28/573832128.db2.gz NDIHQBFOZFTDGU-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1nc(-n2cccc2)cc(=O)[nH]1 238526616 573832130 /nfs/dbraw/zinc/83/21/30/573832130.db2.gz SSUMXNQHIVWGSL-UHFFFAOYSA-N 0 0 175.191 1.281 10 0 ADAERN CC(C)CCC[NH2+]C[C@@H]1C[C@H]1C(=O)[O-] 258961492 573832133 /nfs/dbraw/zinc/83/21/33/573832133.db2.gz VZURERNAVGVFGP-VHSXEESVSA-N 0 0 199.294 1.733 10 0 ADAERN CC/C=C(\C)C(=O)N(C)C[C@@H](C)CO 688721233 573832153 /nfs/dbraw/zinc/83/21/53/573832153.db2.gz PTRRAUWINRGPEP-ZFZMKPAXSA-N 0 0 199.294 1.430 10 0 ADAERN Cn1c(N)ccc1-c1cccc(N)c1 258144380 573832163 /nfs/dbraw/zinc/83/21/63/573832163.db2.gz OWYMTUFZJFJIIO-UHFFFAOYSA-N 0 0 187.246 1.857 10 0 ADAERN C[C@@]1(C(=O)[C@H]2CCOC2)CCCO1 87226651 573832172 /nfs/dbraw/zinc/83/21/72/573832172.db2.gz GHOZAXSCIXFTHX-WPRPVWTQSA-N 0 0 184.235 1.161 10 0 ADAERN C[C@@]1([C@H](O)CC2CC2)CCCO1 87227284 573832182 /nfs/dbraw/zinc/83/21/82/573832182.db2.gz JUVBCRDCKZEHMQ-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN OCc1ccc(F)c2c1OCCCO2 258143032 573832185 /nfs/dbraw/zinc/83/21/85/573832185.db2.gz SSDUFYIRIQNCBY-UHFFFAOYSA-N 0 0 198.193 1.479 10 0 ADAERN C[C@]1([C@H](O)c2ccco2)CCCO1 87227143 573832215 /nfs/dbraw/zinc/83/22/15/573832215.db2.gz FTFFDGVPLUMWDR-NXEZZACHSA-N 0 0 182.219 1.882 10 0 ADAERN Nc1ccc(Cn2ccnc2)cc1F 87225587 573832245 /nfs/dbraw/zinc/83/22/45/573832245.db2.gz NXCILEGQZALTIZ-UHFFFAOYSA-N 0 0 191.209 1.653 10 0 ADAERN CCn1c(=NN)[nH]c2cccc(F)c21 258149654 573832251 /nfs/dbraw/zinc/83/22/51/573832251.db2.gz LHUXCVATPPXHEV-UHFFFAOYSA-N 0 0 194.213 1.481 10 0 ADAERN Cc1cc(C)c(C)c(NCNN)c1C 258962093 573832279 /nfs/dbraw/zinc/83/22/79/573832279.db2.gz ATKGWRDUGVZKFU-UHFFFAOYSA-N 0 0 193.294 1.753 10 0 ADAERN CC1=NN(C(N)=O)[C@@H](CC(C)C)C1 238147378 573832294 /nfs/dbraw/zinc/83/22/94/573832294.db2.gz GUVAYEKIIJUWQN-QMMMGPOBSA-N 0 0 183.255 1.561 10 0 ADAERN COC(=O)C=CNC1C(C)(C)C1(C)C 308446413 573832299 /nfs/dbraw/zinc/83/22/99/573832299.db2.gz OUKWGIGXAOTJTK-SREVYHEPSA-N 0 0 197.278 1.697 10 0 ADAERN Cc1cc([C@@H](C)CO)cc(O)c1F 258143091 573832302 /nfs/dbraw/zinc/83/23/02/573832302.db2.gz STOZJDOMKIULCO-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN CC(C)C[C@H]1CCCO[C@@H]1O 238148206 573832305 /nfs/dbraw/zinc/83/23/05/573832305.db2.gz UQMOHGCHVRYRAK-BDAKNGLRSA-N 0 0 158.241 1.778 10 0 ADAERN CC[C@@H](C)[C@]1(O)CCOC1 84327903 573832319 /nfs/dbraw/zinc/83/23/19/573832319.db2.gz NDIHQBFOZFTDGU-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@@]1(O)CNc2c(F)cccc2C1 257885108 573832358 /nfs/dbraw/zinc/83/23/58/573832358.db2.gz MOPMYDUOZUCBRP-JTQLQIEISA-N 0 0 181.210 1.545 10 0 ADAERN CC(=O)N1CC(=O)c2cccc(F)c21 238147996 573832361 /nfs/dbraw/zinc/83/23/61/573832361.db2.gz YSLRWXDZFOMKFR-UHFFFAOYSA-N 0 0 193.177 1.375 10 0 ADAERN CC[C@@H](C)[C@@]1(O)CCSC1 84329683 573832362 /nfs/dbraw/zinc/83/23/62/573832362.db2.gz KZIDTHBIQGXKGJ-HTQZYQBOSA-N 0 0 160.282 1.901 10 0 ADAERN C[C@]1([C@H](O)c2ccoc2)CCCO1 87227366 573832375 /nfs/dbraw/zinc/83/23/75/573832375.db2.gz WDYZXJAQSMBZAL-NXEZZACHSA-N 0 0 182.219 1.882 10 0 ADAERN C[C@H](N)c1nc([C@]2(C)CCCO2)no1 87226445 573832385 /nfs/dbraw/zinc/83/23/85/573832385.db2.gz PHOSRWPQJMWLFC-RCOVLWMOSA-N 0 0 197.238 1.115 10 0 ADAERN CCC[C@@H](O)[C@]1(C)CCCO1 87227248 573832423 /nfs/dbraw/zinc/83/24/23/573832423.db2.gz YBQDVEOAOUHDKC-BDAKNGLRSA-N 0 0 158.241 1.717 10 0 ADAERN CC[C@H](C)Cc1nnc2cnccn12 100895574 573832459 /nfs/dbraw/zinc/83/24/59/573832459.db2.gz MEOGHSPHNZOJIR-QMMMGPOBSA-N 0 0 190.250 1.713 10 0 ADAERN Cn1nccc1[C@H](O)[C@@]1(C)CCCO1 87227424 573832466 /nfs/dbraw/zinc/83/24/66/573832466.db2.gz QCXDXTQVYRGZQW-VHSXEESVSA-N 0 0 196.250 1.023 10 0 ADAERN COc1cc(CCO)cc(F)c1C 258142902 573832468 /nfs/dbraw/zinc/83/24/68/573832468.db2.gz SQEQOTFRHPCUHE-UHFFFAOYSA-N 0 0 184.210 1.678 10 0 ADAERN C[C@H](Cc1ccc(F)cc1)ON 259573033 573832477 /nfs/dbraw/zinc/83/24/77/573832477.db2.gz XZQHCNVXEDMVTG-SSDOTTSWSA-N 0 0 169.199 1.647 10 0 ADAERN C[C@H](N)c1nc([C@@]2(C)CCCO2)no1 87226447 573832483 /nfs/dbraw/zinc/83/24/83/573832483.db2.gz PHOSRWPQJMWLFC-IMTBSYHQSA-N 0 0 197.238 1.115 10 0 ADAERN CC(=O)c1ccnn1C1CCOCC1 257886436 573832488 /nfs/dbraw/zinc/83/24/88/573832488.db2.gz WGQVQKMUIQRQHA-UHFFFAOYSA-N 0 0 194.234 1.437 10 0 ADAERN COc1cccc2c1NCC(=O)S2 258431934 573832492 /nfs/dbraw/zinc/83/24/92/573832492.db2.gz FTKBRWNMOCNODK-UHFFFAOYSA-N 0 0 195.243 1.739 10 0 ADAERN CC[C@@H](C)[C@@]1(O)CCOC1 84327907 573832505 /nfs/dbraw/zinc/83/25/05/573832505.db2.gz NDIHQBFOZFTDGU-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN C[C@]1(C(=O)[C@H]2CCOC2)CCCO1 87226650 573832514 /nfs/dbraw/zinc/83/25/14/573832514.db2.gz GHOZAXSCIXFTHX-WCBMZHEXSA-N 0 0 184.235 1.161 10 0 ADAERN CCOCc1cc(O)ccc1O 143496287 573832518 /nfs/dbraw/zinc/83/25/18/573832518.db2.gz QHWYJTGODPTILW-UHFFFAOYSA-N 0 0 168.192 1.634 10 0 ADAERN CC(=O)N[C@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@H]21 238148957 573832527 /nfs/dbraw/zinc/83/25/27/573832527.db2.gz JBSRXWWWDDOZPL-OSUNSFLBSA-N 0 0 193.290 1.947 10 0 ADAERN Cc1ccc(NCCCO)o1 258961894 573832538 /nfs/dbraw/zinc/83/25/38/573832538.db2.gz JMPFWFFNQWYGLC-UHFFFAOYSA-N 0 0 155.197 1.382 10 0 ADAERN Nc1ccc2cc(CO)oc2c1 258142685 573832552 /nfs/dbraw/zinc/83/25/52/573832552.db2.gz VYEZPEWBEDRCDN-UHFFFAOYSA-N 0 0 163.176 1.507 10 0 ADAERN Cc1cnc(N)c(OC(C)C)c1 238148724 573832554 /nfs/dbraw/zinc/83/25/54/573832554.db2.gz LZRHWFUIUICNCN-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN c1coc(-c2nnc3n2CCCC3)c1 258142152 573832571 /nfs/dbraw/zinc/83/25/71/573832571.db2.gz HKDOYIQCCMRFQC-UHFFFAOYSA-N 0 0 189.218 1.874 10 0 ADAERN Cn1ncc2c1CCCCC(=O)C2 238532586 573832596 /nfs/dbraw/zinc/83/25/96/573832596.db2.gz MDBYPTQOJXUWFV-UHFFFAOYSA-N 0 0 178.235 1.258 10 0 ADAERN C[C@@]1(C(=O)c2cnccn2)CCCO1 87226841 573835239 /nfs/dbraw/zinc/83/52/39/573835239.db2.gz QHVOWXTZGIWAON-JTQLQIEISA-N 0 0 192.218 1.228 10 0 ADAERN C[C@@]12C=C[C@@H](CC(=O)C1)C2 238532105 573835243 /nfs/dbraw/zinc/83/52/43/573835243.db2.gz MGLIRRAFFUAXBW-CBAPKCEASA-N 0 0 136.194 1.932 10 0 ADAERN ONCc1ccc(O)c2c1CCCC2 258153043 573835233 /nfs/dbraw/zinc/83/52/33/573835233.db2.gz UIYNBHBLONEMTF-UHFFFAOYSA-N 0 0 193.246 1.750 10 0 ADAERN Cn1nccc1C(=O)[C@@]1(C)CCCO1 87226736 573835253 /nfs/dbraw/zinc/83/52/53/573835253.db2.gz MJNBATPUSAUXJZ-SNVBAGLBSA-N 0 0 194.234 1.172 10 0 ADAERN Cc1ccnc(N[C@H]2CC[C@H]2O)c1 585297598 573835260 /nfs/dbraw/zinc/83/52/60/573835260.db2.gz HCXNDCAFKAZNNI-DTWKUNHWSA-N 0 0 178.235 1.325 10 0 ADAERN CC(=O)OCC1(C)CCC(=O)CC1 238141669 573835263 /nfs/dbraw/zinc/83/52/63/573835263.db2.gz HJOZMSZGMOVFAI-UHFFFAOYSA-N 0 0 184.235 1.699 10 0 ADAERN CN[C@@H]([NH3+])c1ccc(F)c(C)c1 259207317 573835264 /nfs/dbraw/zinc/83/52/64/573835264.db2.gz GHZVRBGTBHNECC-SECBINFHSA-N 0 0 168.215 1.311 10 0 ADAERN CC[C@](C)(O)C[NH2+][C@H](C)c1ccon1 308762590 573835273 /nfs/dbraw/zinc/83/52/73/573835273.db2.gz YUSYEOPZYSTZIE-SCZZXKLOSA-N 0 0 198.266 1.486 10 0 ADAERN CC(C)C[C@H](O)[C@@]1(C)CCCO1 87227257 573835276 /nfs/dbraw/zinc/83/52/76/573835276.db2.gz KAPSUBWDDWGCAA-VHSXEESVSA-N 0 0 172.268 1.963 10 0 ADAERN [NH3+][C@H](O)c1ccc2c(c1)CCCC2 259207270 573835295 /nfs/dbraw/zinc/83/52/95/573835295.db2.gz DSLSGHHLMZWYKR-LLVKDONJSA-N 0 0 177.247 1.515 10 0 ADAERN Cc1c(CO)[nH]cc(C(F)F)c1=O 238533068 573835310 /nfs/dbraw/zinc/83/53/10/573835310.db2.gz TXSYFCCNTFSERO-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN C[C@]1([C@H](O)CC2CC2)CCCO1 87227283 573835315 /nfs/dbraw/zinc/83/53/15/573835315.db2.gz JUVBCRDCKZEHMQ-NXEZZACHSA-N 0 0 170.252 1.717 10 0 ADAERN COC/C=C/C(=O)OCC[C@@H](C)F 308448120 573835317 /nfs/dbraw/zinc/83/53/17/573835317.db2.gz CFKMSQGPTQPCPU-MPJRPATESA-N 0 0 190.214 1.480 10 0 ADAERN C[C@@]12CC(=O)C[C@@H](C[C@@H](O)C1)C2 238532725 573835318 /nfs/dbraw/zinc/83/53/18/573835318.db2.gz YTYCJEKAHRITCO-MRTMQBJTSA-N 0 0 168.236 1.517 10 0 ADAERN C[C@@H]1COc2cccc(N)c2NC1=O 258432057 573835334 /nfs/dbraw/zinc/83/53/34/573835334.db2.gz FVDXJRVBZVIEIA-ZCFIWIBFSA-N 0 0 192.218 1.236 10 0 ADAERN CC(C)CO[C@@H]1OCCC[C@@H]1O 238154834 573835342 /nfs/dbraw/zinc/83/53/42/573835342.db2.gz HMSZQHGXWMTMPA-IUCAKERBSA-N 0 0 174.240 1.156 10 0 ADAERN C[C@]1([C@H](O)c2cnccn2)CCCO1 87227498 573835359 /nfs/dbraw/zinc/83/53/59/573835359.db2.gz YWGZVSGLSFIUGI-NXEZZACHSA-N 0 0 194.234 1.079 10 0 ADAERN OC1(c2ccc3c(c2)CCOC3)CC1 258152995 573835368 /nfs/dbraw/zinc/83/53/68/573835368.db2.gz UHMOIIARCIXOME-UHFFFAOYSA-N 0 0 190.242 1.741 10 0 ADAERN Clc1ccc2c(n1)COCCN2 238532059 573835372 /nfs/dbraw/zinc/83/53/72/573835372.db2.gz XVTXEEBDKNWSSB-UHFFFAOYSA-N 0 0 184.626 1.677 10 0 ADAERN CC(=O)Nc1ccc(OC(C)C)nn1 238155150 573835378 /nfs/dbraw/zinc/83/53/78/573835378.db2.gz LFNUKFBCMHOHDX-UHFFFAOYSA-N 0 0 195.222 1.222 10 0 ADAERN OC1(Cc2ccoc2)CCOCC1 84336675 573835387 /nfs/dbraw/zinc/83/53/87/573835387.db2.gz SXFZBDGISBMKJP-UHFFFAOYSA-N 0 0 182.219 1.364 10 0 ADAERN CCOC[C@H](O)c1cc(C)cc(C)n1 308448391 573835408 /nfs/dbraw/zinc/83/54/08/573835408.db2.gz ALMBNSTVLQTALL-NSHDSACASA-N 0 0 195.262 1.768 10 0 ADAERN Cc1ccc2c(c1)c(CO)nn2C 238532405 573835423 /nfs/dbraw/zinc/83/54/23/573835423.db2.gz MLAOZUQRTYMUCD-UHFFFAOYSA-N 0 0 176.219 1.374 10 0 ADAERN O=CNc1ccc(F)cc1C=O 238532249 573835434 /nfs/dbraw/zinc/83/54/34/573835434.db2.gz YSBGSVAKWLOHSF-UHFFFAOYSA-N 0 0 167.139 1.207 10 0 ADAERN CC(C)OC(=O)CNC/C=C/Cl 308767786 573835446 /nfs/dbraw/zinc/83/54/46/573835446.db2.gz RTLCMTNQCDGGPS-ONEGZZNKSA-N 0 0 191.658 1.280 10 0 ADAERN C[C@]1(c2ncc(N)cn2)CCCO1 87226489 573835447 /nfs/dbraw/zinc/83/54/47/573835447.db2.gz PMJTZDZVXLZRSR-SECBINFHSA-N 0 0 179.223 1.084 10 0 ADAERN CC/C=C\COC(=O)CC1COC1 308451693 573835485 /nfs/dbraw/zinc/83/54/85/573835485.db2.gz DQFCTJGQHKUGFP-ARJAWSKDSA-N 0 0 184.235 1.532 10 0 ADAERN C[NH+](C)CC1(C(=O)[O-])CCCCCC1 84330283 573835509 /nfs/dbraw/zinc/83/55/09/573835509.db2.gz ONAQUKFCFPBHMS-UHFFFAOYSA-N 0 0 199.294 1.973 10 0 ADAERN CC(=O)c1ccc(CO)c(C)n1 238141294 573835513 /nfs/dbraw/zinc/83/55/13/573835513.db2.gz QDSKYNNSRLFHSC-UHFFFAOYSA-N 0 0 165.192 1.085 10 0 ADAERN CO[C@H]1C[C@H]1C(=O)Cc1ccoc1 689995042 573835537 /nfs/dbraw/zinc/83/55/37/573835537.db2.gz ZWHGOJCYEQDVDS-WPRPVWTQSA-N 0 0 180.203 1.426 10 0 ADAERN CC(C)COC(=O)c1cc(N)cn1C 41087321 573835546 /nfs/dbraw/zinc/83/55/46/573835546.db2.gz SXOOTLHLQPZQDV-UHFFFAOYSA-N 0 0 196.250 1.420 10 0 ADAERN C[C@H](CO)Oc1cc(F)cc(C=O)c1 308448374 573835552 /nfs/dbraw/zinc/83/55/52/573835552.db2.gz AJYAEXUVZRLWGN-SSDOTTSWSA-N 0 0 198.193 1.398 10 0 ADAERN Cn1c(CO)cnc1C1CCC1 238532928 573835555 /nfs/dbraw/zinc/83/55/55/573835555.db2.gz BFSQXCJKURFNFS-UHFFFAOYSA-N 0 0 166.224 1.180 10 0 ADAERN CC(C)([NH3+])c1cccc(C(=O)[O-])c1F 238154753 573835578 /nfs/dbraw/zinc/83/55/78/573835578.db2.gz OBXBDYLLKISZFJ-UHFFFAOYSA-N 0 0 197.209 1.718 10 0 ADAERN Cc1c[nH]c(=O)c(C(F)F)c1C=O 238533291 573835587 /nfs/dbraw/zinc/83/55/87/573835587.db2.gz OOLHDGFBGJHNOI-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN C[C@H]([NH3+])c1ccnn1[C@H]1CCCOC1 257886565 573835631 /nfs/dbraw/zinc/83/56/31/573835631.db2.gz WIZQISFETYQQRL-IUCAKERBSA-N 0 0 195.266 1.254 10 0 ADAERN C[C@@H](O)c1ccc2c(c1F)OCO2 258152953 573835652 /nfs/dbraw/zinc/83/56/52/573835652.db2.gz UGVNLYWEAHKVSD-RXMQYKEDSA-N 0 0 184.166 1.608 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1 238155089 573835658 /nfs/dbraw/zinc/83/56/58/573835658.db2.gz GWOVLGQUWWGELF-WCABBAIRSA-N 0 0 186.295 1.945 10 0 ADAERN Nc1cccc(-c2ccc(N)[nH]2)c1 258153219 573835663 /nfs/dbraw/zinc/83/56/63/573835663.db2.gz PSKRWOXBUTVNMB-UHFFFAOYSA-N 0 0 173.219 1.846 10 0 ADAERN Cc1c(C=O)cnc(C(F)F)c1O 238533326 573835679 /nfs/dbraw/zinc/83/56/79/573835679.db2.gz XCCDBKYVQSKUBF-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN C[C@@]1([C@H](O)c2ccoc2)CCCO1 87227367 573835680 /nfs/dbraw/zinc/83/56/80/573835680.db2.gz WDYZXJAQSMBZAL-ZJUUUORDSA-N 0 0 182.219 1.882 10 0 ADAERN CC(C)C[C@H](O)C[C@@]1(C)CO1 238141748 573835682 /nfs/dbraw/zinc/83/56/82/573835682.db2.gz GZOHCBGBGLMKTL-IUCAKERBSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1ccnc(N[C@H]2CC[C@@H]2O)c1 585297599 573835687 /nfs/dbraw/zinc/83/56/87/573835687.db2.gz HCXNDCAFKAZNNI-IUCAKERBSA-N 0 0 178.235 1.325 10 0 ADAERN C[C@]1([C@@H](O)c2cnccn2)CCCO1 87227500 573835711 /nfs/dbraw/zinc/83/57/11/573835711.db2.gz YWGZVSGLSFIUGI-VHSXEESVSA-N 0 0 194.234 1.079 10 0 ADAERN CC(C)C1=C(C(=O)[O-])CC[N@H+](C)C1 257887260 573835724 /nfs/dbraw/zinc/83/57/24/573835724.db2.gz MTEKBVRDVCHTBQ-UHFFFAOYSA-N 0 0 183.251 1.359 10 0 ADAERN O[C@@]1(c2ccco2)CCSC1 84331785 573835746 /nfs/dbraw/zinc/83/57/46/573835746.db2.gz KECCQJWWTGUMFD-QMMMGPOBSA-N 0 0 170.233 1.604 10 0 ADAERN Cc1c(O)c(=O)oc2cc(O)ccc12 238532334 573835747 /nfs/dbraw/zinc/83/57/47/573835747.db2.gz UIROMALDRMVFFP-UHFFFAOYSA-N 0 0 192.170 1.513 10 0 ADAERN CC(C)c1cc(O)cc(CCON)c1 258152874 573835766 /nfs/dbraw/zinc/83/57/66/573835766.db2.gz UETCYLFMDGQMQQ-UHFFFAOYSA-N 0 0 195.262 1.948 10 0 ADAERN C[C@H]1CNc2cccc(N)c2OC1 258432103 573835771 /nfs/dbraw/zinc/83/57/71/573835771.db2.gz FVRCGGTVUDKRET-ZETCQYMHSA-N 0 0 178.235 1.709 10 0 ADAERN COP(=O)(OC)C([N+]#N)C(=O)[O-] 222187458 573835779 /nfs/dbraw/zinc/83/57/79/573835779.db2.gz QFNYGMNPRFMYGI-UHFFFAOYSA-O 0 0 195.091 1.568 10 0 ADAERN C[C@]1([C@@H](O)c2ccoc2)CCCO1 87227368 573835803 /nfs/dbraw/zinc/83/58/03/573835803.db2.gz WDYZXJAQSMBZAL-VHSXEESVSA-N 0 0 182.219 1.882 10 0 ADAERN Cc1cc(F)ccc1CCC(N)=O 238532606 573835824 /nfs/dbraw/zinc/83/58/24/573835824.db2.gz QSLANAIBFXCILX-UHFFFAOYSA-N 0 0 181.210 1.552 10 0 ADAERN COCCC[C@H](O)C[C@@H](C)COC 162171412 573835846 /nfs/dbraw/zinc/83/58/46/573835846.db2.gz MTGKAAXKXUZQOL-ZJUUUORDSA-N 0 0 190.283 1.447 10 0 ADAERN CCCC1=N[C@@H]2C[C@@H](O)CC[C@@H]2O1 258153469 573835847 /nfs/dbraw/zinc/83/58/47/573835847.db2.gz YCQLCXQSDWWUKF-YIZRAAEISA-N 0 0 183.251 1.497 10 0 ADAERN CCC[C@@H](O)[C@@]1(C)CCCO1 87227250 573835852 /nfs/dbraw/zinc/83/58/52/573835852.db2.gz YBQDVEOAOUHDKC-RKDXNWHRSA-N 0 0 158.241 1.717 10 0 ADAERN CC(=O)[C@@H]1CCO[C@@H]1C 87224165 573835858 /nfs/dbraw/zinc/83/58/58/573835858.db2.gz AFLWQLKUHZFTQL-RQJHMYQMSA-N 0 0 128.171 1.000 10 0 ADAERN Cc1ccnc(N[C@@H]2CC[C@@H]2O)c1 585297597 573835867 /nfs/dbraw/zinc/83/58/67/573835867.db2.gz HCXNDCAFKAZNNI-BDAKNGLRSA-N 0 0 178.235 1.325 10 0 ADAERN C[C@@]1(C(=O)C2CCOCC2)CCCO1 87226881 573835870 /nfs/dbraw/zinc/83/58/70/573835870.db2.gz QLUNHSACEFBUQW-NSHDSACASA-N 0 0 198.262 1.551 10 0 ADAERN CC(C)[C@@H](O)[C@@]1(C)CCCO1 87227254 573835879 /nfs/dbraw/zinc/83/58/79/573835879.db2.gz WQNHITHWCJUBLD-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN Cc1ccc2c(c1)c(=O)ccn2O 238533041 573835889 /nfs/dbraw/zinc/83/58/89/573835889.db2.gz NBGNOUWPNUXQGL-UHFFFAOYSA-N 0 0 175.187 1.547 10 0 ADAERN O=C1C[C@H](Cc2cccc(F)c2)CO1 238531811 573835898 /nfs/dbraw/zinc/83/58/98/573835898.db2.gz DSINLKYMNZTJEK-VIFPVBQESA-N 0 0 194.205 1.931 10 0 ADAERN CNC(=O)Nc1ccc(O)cc1C 125224474 573835905 /nfs/dbraw/zinc/83/59/05/573835905.db2.gz NHQOZZBUWKOKPG-UHFFFAOYSA-N 0 0 180.207 1.452 10 0 ADAERN C[C@]1(C(=O)C2CCOCC2)CCCO1 87226880 573835906 /nfs/dbraw/zinc/83/59/06/573835906.db2.gz QLUNHSACEFBUQW-LLVKDONJSA-N 0 0 198.262 1.551 10 0 ADAERN O[C@]1(c2cccnc2)CCSC1 84336337 573835910 /nfs/dbraw/zinc/83/59/10/573835910.db2.gz CJAKVQRGGCJSLP-SECBINFHSA-N 0 0 181.260 1.406 10 0 ADAERN Fc1cnc(OC(F)F)cn1 238531862 573835915 /nfs/dbraw/zinc/83/59/15/573835915.db2.gz QXPMSCWLZBBWOP-UHFFFAOYSA-N 0 0 164.086 1.217 10 0 ADAERN CON(C)C(=O)C[C@H]1CCC[C@H]1C 308448077 573835926 /nfs/dbraw/zinc/83/59/26/573835926.db2.gz CCQSAWSYQDIZHH-RKDXNWHRSA-N 0 0 185.267 1.833 10 0 ADAERN Cn1cc(C(=O)[C@@]2(C)CCCO2)cn1 87226894 573835929 /nfs/dbraw/zinc/83/59/29/573835929.db2.gz ASWPRWVVZBRYRM-SNVBAGLBSA-N 0 0 194.234 1.172 10 0 ADAERN CN(CO)c1cc(Cl)ccc1F 258966662 573835944 /nfs/dbraw/zinc/83/59/44/573835944.db2.gz UIDQCBQEPAPXKD-UHFFFAOYSA-N 0 0 189.617 1.865 10 0 ADAERN C[C@]1([C@@H](O)CC2CC2)CCCO1 87227285 573835945 /nfs/dbraw/zinc/83/59/45/573835945.db2.gz JUVBCRDCKZEHMQ-VHSXEESVSA-N 0 0 170.252 1.717 10 0 ADAERN CC(=O)c1[nH]nc2ncc(Cl)cc12 238155951 573835948 /nfs/dbraw/zinc/83/59/48/573835948.db2.gz WACMYGUEAWHSTD-UHFFFAOYSA-N 0 0 195.609 1.814 10 0 ADAERN Cc1cc(C(=O)C(C)C)nn1C 84330877 573835949 /nfs/dbraw/zinc/83/59/49/573835949.db2.gz WBQQYUSNDRSVHZ-UHFFFAOYSA-N 0 0 166.224 1.567 10 0 ADAERN Cc1cc(=O)[nH]c([C@@]2(C)CCCO2)n1 87226508 573835977 /nfs/dbraw/zinc/83/59/77/573835977.db2.gz WOITWIDLXGLUND-SNVBAGLBSA-N 0 0 194.234 1.104 10 0 ADAERN O=C1NC[C@@]2(F)C[C@@]12c1ccccc1 238532470 573835981 /nfs/dbraw/zinc/83/59/81/573835981.db2.gz GOBHECZXUIQAAF-WDEREUQCSA-N 0 0 191.205 1.166 10 0 ADAERN O=C1C[C@@H](Cc2cccc(F)c2)CN1 238532082 573835994 /nfs/dbraw/zinc/83/59/94/573835994.db2.gz NSDMDKAXNULBDE-SECBINFHSA-N 0 0 193.221 1.504 10 0 ADAERN CC(C)([NH3+])c1cccc(CC(=O)[O-])c1 238154851 573836000 /nfs/dbraw/zinc/83/60/00/573836000.db2.gz DKBRIZMDRJQXOU-UHFFFAOYSA-N 0 0 193.246 1.508 10 0 ADAERN C[C@H](O)Cc1cc(O)c2c(c1)OCO2 258152983 573836015 /nfs/dbraw/zinc/83/60/15/573836015.db2.gz UHIYFXWQMOYULZ-LURJTMIESA-N 0 0 196.202 1.044 10 0 ADAERN CNC(=O)Nc1ccc(C)c(O)c1 125225163 573836020 /nfs/dbraw/zinc/83/60/20/573836020.db2.gz HUORCXXHOARJAY-UHFFFAOYSA-N 0 0 180.207 1.452 10 0 ADAERN NOCCc1cccc2cnncc12 258152970 573836024 /nfs/dbraw/zinc/83/60/24/573836024.db2.gz UHFINFHJWGUMPX-UHFFFAOYSA-N 0 0 189.218 1.063 10 0 ADAERN CC(C)[C@H]1Oc2cc(O)ccc2C1=O 100942391 573836025 /nfs/dbraw/zinc/83/60/25/573836025.db2.gz ANJOJHDEGOEIBR-LLVKDONJSA-N 0 0 192.214 1.992 10 0 ADAERN CC(C)C[C@H]1CC[NH2+][C@](C)(C(=O)[O-])C1 258152228 573837356 /nfs/dbraw/zinc/83/73/56/573837356.db2.gz AZQIIASMKJREAW-KOLCDFICSA-N 0 0 199.294 1.875 10 0 ADAERN CC(=O)c1cnn2ccc(O)cc12 238155047 573837377 /nfs/dbraw/zinc/83/73/77/573837377.db2.gz ORNPDQZLPJBVFH-UHFFFAOYSA-N 0 0 176.175 1.243 10 0 ADAERN CC(=O)OC[C@@H]1CCCc2nc[nH]c21 238155986 573837390 /nfs/dbraw/zinc/83/73/90/573837390.db2.gz YDZJRCNKXNYGDM-QMMMGPOBSA-N 0 0 194.234 1.393 10 0 ADAERN COC/C=C\C(=O)OCC[C@@H](C)F 308448123 573837400 /nfs/dbraw/zinc/83/74/00/573837400.db2.gz CFKMSQGPTQPCPU-TUUFMJSCSA-N 0 0 190.214 1.480 10 0 ADAERN COC(=O)[C@H](O)C1CCCCCC1 84330263 573837405 /nfs/dbraw/zinc/83/74/05/573837405.db2.gz HVQHAVYYVPLDQC-SECBINFHSA-N 0 0 186.251 1.491 10 0 ADAERN O=C([O-])[C@@H](C[NH2+]C1CC1)c1ccco1 258153641 573837415 /nfs/dbraw/zinc/83/74/15/573837415.db2.gz NDKDIINWHGUZBM-QMMMGPOBSA-N 0 0 195.218 1.200 10 0 ADAERN CC(C)OC(=O)CN[C@@H](C)C1(C)CC1 308765622 573837446 /nfs/dbraw/zinc/83/74/46/573837446.db2.gz OIJWACILEWJBRC-VIFPVBQESA-N 0 0 199.294 1.716 10 0 ADAERN NC1=N[C@H](C2CCCCCC2)CO1 84330791 573837468 /nfs/dbraw/zinc/83/74/68/573837468.db2.gz GYJAUEKNKLCHDS-VIFPVBQESA-N 0 0 182.267 1.670 10 0 ADAERN CC(C)[C@H](CO)c1ccccn1 238156199 573837490 /nfs/dbraw/zinc/83/74/90/573837490.db2.gz COHUVNQXQDKTGA-VIFPVBQESA-N 0 0 165.236 1.814 10 0 ADAERN Cc1cnn(C)c1C(=O)COC(C)C 308447991 573837493 /nfs/dbraw/zinc/83/74/93/573837493.db2.gz BJTWBSNILZIMNT-UHFFFAOYSA-N 0 0 196.250 1.336 10 0 ADAERN Cc1cc(F)cc([C@@H]2COC[C@@H]2O)c1 687966483 573837525 /nfs/dbraw/zinc/83/75/25/573837525.db2.gz YFGSPQJPPQXFOL-QWRGUYRKSA-N 0 0 196.221 1.609 10 0 ADAERN C=CCCC[NH+]1CC([C@H](C)C(=O)[O-])C1 130102896 573837532 /nfs/dbraw/zinc/83/75/32/573837532.db2.gz OSRLSTBCPFXJEY-VIFPVBQESA-N 0 0 197.278 1.605 10 0 ADAERN COCC1(c2ccccc2CO)CC1 259575119 573837537 /nfs/dbraw/zinc/83/75/37/573837537.db2.gz XQJNATNBPGDPLZ-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN CNc1nc([C@@]2(C)CCCO2)ns1 87229479 573837551 /nfs/dbraw/zinc/83/75/51/573837551.db2.gz DGVPGJXYYHASSN-MRVPVSSYSA-N 0 0 199.279 1.605 10 0 ADAERN Oc1ccc(-n2nncc2Cl)cc1 258153411 573837556 /nfs/dbraw/zinc/83/75/56/573837556.db2.gz SFEANRWKEYNBMY-UHFFFAOYSA-N 0 0 195.609 1.626 10 0 ADAERN COC(=O)CC1(C2CCC2)COC1 259208192 573837571 /nfs/dbraw/zinc/83/75/71/573837571.db2.gz LFLVGQBFSWGUBP-UHFFFAOYSA-N 0 0 184.235 1.366 10 0 ADAERN C[C@@H](N)c1nnc([C@]2(C)CCCO2)o1 87231302 573837574 /nfs/dbraw/zinc/83/75/74/573837574.db2.gz VCADFYVUDXFGJH-MUWHJKNJSA-N 0 0 197.238 1.115 10 0 ADAERN CC(=O)Oc1cccc(C=O)c1F 222716803 573837584 /nfs/dbraw/zinc/83/75/84/573837584.db2.gz GOBZFALUWZVAEZ-UHFFFAOYSA-N 0 0 182.150 1.564 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@@H]([NH3+])c1cc[nH]c1 259207392 573837587 /nfs/dbraw/zinc/83/75/87/573837587.db2.gz DSYUUYAZCHAOFQ-BDAKNGLRSA-N 0 0 196.250 1.371 10 0 ADAERN C[C@@]1(c2ncc(C=O)cn2)CCCO1 87229262 573837632 /nfs/dbraw/zinc/83/76/32/573837632.db2.gz OCJBJNVAGWHBEU-JTQLQIEISA-N 0 0 192.218 1.315 10 0 ADAERN CC[C@@H](COC)Nc1nc(C)co1 308448023 573837644 /nfs/dbraw/zinc/83/76/44/573837644.db2.gz CAOXWVNVOOZWKF-QMMMGPOBSA-N 0 0 184.239 1.820 10 0 ADAERN C[C@@H]1C[N@@H+](C)C[C@H](C)[C@H]1CC(=O)[O-] 251792260 573837664 /nfs/dbraw/zinc/83/76/64/573837664.db2.gz XEIPBOJOMOBMRU-BRPSZJMVSA-N 0 0 185.267 1.295 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@H](O)O1 238155613 573837677 /nfs/dbraw/zinc/83/76/77/573837677.db2.gz QDXJKFCYRKPIRX-NKWVEPMBSA-N 0 0 144.214 1.530 10 0 ADAERN C[C@@H](C[NH2+]CC1CCCC1)CC(=O)[O-] 258966273 573837682 /nfs/dbraw/zinc/83/76/82/573837682.db2.gz WKWSFYILPDTMBT-SECBINFHSA-N 0 0 199.294 1.877 10 0 ADAERN CCC(CC)C(=O)N(C)CC(C)=O 308449335 573837698 /nfs/dbraw/zinc/83/76/98/573837698.db2.gz CRTSDSSFBFKSGC-UHFFFAOYSA-N 0 0 185.267 1.470 10 0 ADAERN Cc1csc(C=O)c1C=O 100973557 573837722 /nfs/dbraw/zinc/83/77/22/573837722.db2.gz LQRBVUIFWYTTAO-UHFFFAOYSA-N 0 0 154.190 1.682 10 0 ADAERN Nc1ccc2cccc(Cl)n2c1=O 258153456 573837727 /nfs/dbraw/zinc/83/77/27/573837727.db2.gz SGSPSCBLMYCKCX-UHFFFAOYSA-N 0 0 194.621 1.535 10 0 ADAERN COCOC(=O)/C=C/c1ccco1 308449357 573837750 /nfs/dbraw/zinc/83/77/50/573837750.db2.gz CTGPRACDDSENQZ-SNAWJCMRSA-N 0 0 182.175 1.440 10 0 ADAERN CCOC(=N)[C@]1(C)CCCO1 87228991 573837755 /nfs/dbraw/zinc/83/77/55/573837755.db2.gz GHDAEAUYTKDWKJ-QMMMGPOBSA-N 0 0 157.213 1.569 10 0 ADAERN Cc1cc(C(=O)C2CCC2)nn1C 84334165 573837756 /nfs/dbraw/zinc/83/77/56/573837756.db2.gz OCLLSQIBIUHKIY-UHFFFAOYSA-N 0 0 178.235 1.711 10 0 ADAERN CCCc1c[nH]c([C@@H](CC)CO)n1 259208516 573837760 /nfs/dbraw/zinc/83/77/60/573837760.db2.gz YGAJNWOQJYGVJS-QMMMGPOBSA-N 0 0 182.267 1.848 10 0 ADAERN NC1=N[C@@H](C2CCCCCC2)CO1 84330793 573837763 /nfs/dbraw/zinc/83/77/63/573837763.db2.gz GYJAUEKNKLCHDS-SECBINFHSA-N 0 0 182.267 1.670 10 0 ADAERN C[C@@H](O)Cc1cnc(-c2ccco2)o1 258149946 573837771 /nfs/dbraw/zinc/83/77/71/573837771.db2.gz QJYBVHNQPLHSPU-SSDOTTSWSA-N 0 0 193.202 1.858 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H]1O 238155943 573837773 /nfs/dbraw/zinc/83/77/73/573837773.db2.gz VQQYYXZTHJOFGZ-MRTMQBJTSA-N 0 0 172.268 1.554 10 0 ADAERN CC(=O)C1=C(C)NC[C@H]1C(C)C 238155035 573837785 /nfs/dbraw/zinc/83/77/85/573837785.db2.gz JVGHQLQXKXYPTH-VHSXEESVSA-N 0 0 167.252 1.938 10 0 ADAERN Cc1ccnc(N[C@H]2COC[C@H]2F)c1 585297602 573837791 /nfs/dbraw/zinc/83/77/91/573837791.db2.gz HGRWOVFVFUTUDQ-BDAKNGLRSA-N 0 0 196.225 1.539 10 0 ADAERN Cc1cc(C(=O)C2CC2)cc(=O)o1 238535561 573837804 /nfs/dbraw/zinc/83/78/04/573837804.db2.gz CAKBVQZHRSANJE-UHFFFAOYSA-N 0 0 178.187 1.541 10 0 ADAERN C[C@@]1(c2nc(C=O)c[nH]2)CCCO1 87229462 573837818 /nfs/dbraw/zinc/83/78/18/573837818.db2.gz VPLAEHCOBQKFMO-VIFPVBQESA-N 0 0 180.207 1.248 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@@](C)(O)[C@@H]1O 238155115 573837842 /nfs/dbraw/zinc/83/78/42/573837842.db2.gz VQQYYXZTHJOFGZ-NQMVMOMDSA-N 0 0 172.268 1.554 10 0 ADAERN C[C@@]1(c2nc(CO)cs2)CCCO1 87229496 573837855 /nfs/dbraw/zinc/83/78/55/573837855.db2.gz 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/nfs/dbraw/zinc/83/79/20/573837920.db2.gz JOZOODDEIVMXIC-MRVPVSSYSA-N 0 0 167.212 1.139 10 0 ADAERN CC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](O)C1 238155916 573837931 /nfs/dbraw/zinc/83/79/31/573837931.db2.gz GWOVLGQUWWGELF-YWVKMMECSA-N 0 0 186.295 1.945 10 0 ADAERN CNOCCc1cccc(C)c1 258516814 573837932 /nfs/dbraw/zinc/83/79/32/573837932.db2.gz LUWPXHAAKORFQM-UHFFFAOYSA-N 0 0 165.236 1.689 10 0 ADAERN CC[C@@H]1COC[C@]12CCC(=O)O2 687973384 573837937 /nfs/dbraw/zinc/83/79/37/573837937.db2.gz VROUCSOHCBUWHY-VXNVDRBHSA-N 0 0 170.208 1.119 10 0 ADAERN C[C@]1(c2nccc(N)n2)CCCO1 87229139 573837947 /nfs/dbraw/zinc/83/79/47/573837947.db2.gz MMZYTUWRTVKWKT-SECBINFHSA-N 0 0 179.223 1.084 10 0 ADAERN CCCC1=N[C@@H]2C[C@@H](O)CC[C@H]2O1 258153462 573837948 /nfs/dbraw/zinc/83/79/48/573837948.db2.gz YCQLCXQSDWWUKF-DJLDLDEBSA-N 0 0 183.251 1.497 10 0 ADAERN Cc1c(C(F)F)[nH]cc(C=O)c1=O 238534120 573837963 /nfs/dbraw/zinc/83/79/63/573837963.db2.gz WXPBNXPTTCDGSZ-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN 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573841701 /nfs/dbraw/zinc/84/17/01/573841701.db2.gz MRQXEOQXWGYJFJ-VOTSOKGWSA-N 0 0 179.219 1.899 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]([NH3+])[C@@H](C(=O)[O-])C1 238157268 573841705 /nfs/dbraw/zinc/84/17/05/573841705.db2.gz BWDKZFORSVCYGT-FXQIFTODSA-N 0 0 185.267 1.471 10 0 ADAERN CC(C)[C@@H]1CC[N@H+](C)CC[C@@H]1C(=O)[O-] 214988335 573841707 /nfs/dbraw/zinc/84/17/07/573841707.db2.gz ZWDRGLITODLEDY-UWVGGRQHSA-N 0 0 199.294 1.685 10 0 ADAERN Nc1ccc(Cc2ccncc2)nc1 122873050 573841710 /nfs/dbraw/zinc/84/17/10/573841710.db2.gz FNQGXZNZLACTLH-UHFFFAOYSA-N 0 0 185.230 1.650 10 0 ADAERN CC(C)[C@@H]1CO[C@@H](O)C1(F)F 238157642 573841748 /nfs/dbraw/zinc/84/17/48/573841748.db2.gz KOKDPQHTYGXWJE-NTSWFWBYSA-N 0 0 166.167 1.243 10 0 ADAERN CC[C@@H](O)/C(C)=C/C(C)=C\C(=O)OC 308450393 573841750 /nfs/dbraw/zinc/84/17/50/573841750.db2.gz QWWRNFRNQYXMPL-QUKHAIJXSA-N 0 0 198.262 1.823 10 0 ADAERN CC(C)(C)[C@H]1C=CNC([S-])=[NH+]1 238158198 573841754 /nfs/dbraw/zinc/84/17/54/573841754.db2.gz RNKPKSVUOVPYDG-ZCFIWIBFSA-N 0 0 170.281 1.393 10 0 ADAERN C[C@]1(c2nccc(C=O)n2)CCCO1 87229257 573841757 /nfs/dbraw/zinc/84/17/57/573841757.db2.gz DDBXORQSCVMEFC-SNVBAGLBSA-N 0 0 192.218 1.315 10 0 ADAERN C[C@@H]1CCC[C@@H]([C@@H](C(=O)[O-])[NH+](C)C)C1 84345012 573841762 /nfs/dbraw/zinc/84/17/62/573841762.db2.gz HSTHOZHUHULOMF-BBBLOLIVSA-N 0 0 199.294 1.828 10 0 ADAERN Cc1c(O)c(C)c(O)c(N)c1O 238533949 573841787 /nfs/dbraw/zinc/84/17/87/573841787.db2.gz YDDFNVMTQIGFPX-UHFFFAOYSA-N 0 0 169.180 1.002 10 0 ADAERN CCC[C@@H]1C[C@H](CO)CCO1 84348286 573841797 /nfs/dbraw/zinc/84/17/97/573841797.db2.gz DUHOFIFZSMPYNY-RKDXNWHRSA-N 0 0 158.241 1.574 10 0 ADAERN CONCc1cc2c(cc1F)OCC2 258150426 573841805 /nfs/dbraw/zinc/84/18/05/573841805.db2.gz TYHVOHOATFCEKQ-UHFFFAOYSA-N 0 0 197.209 1.412 10 0 ADAERN CC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1O 585297289 573841808 /nfs/dbraw/zinc/84/18/08/573841808.db2.gz AHOFOQSSXJHOFP-QWRGUYRKSA-N 0 0 197.278 1.301 10 0 ADAERN CCn1nccc1-c1ccc(N)cn1 122870521 573841816 /nfs/dbraw/zinc/84/18/16/573841816.db2.gz FHCRHTHNLNPTLV-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN C[C@@H]1CCC[C@@]2(C1)NC(=O)N(C)C2=O 125234579 573841824 /nfs/dbraw/zinc/84/18/24/573841824.db2.gz ANZXYTCRILGVHW-XCBNKYQSSA-N 0 0 196.250 1.117 10 0 ADAERN C[C@@H]1CCC[C@H](c2ncn(N)c2N)C1 84342230 573841834 /nfs/dbraw/zinc/84/18/34/573841834.db2.gz SZBGZLFKVNNKPW-SFYZADRCSA-N 0 0 194.282 1.473 10 0 ADAERN Cc1c(C(F)F)cnc(C=O)c1O 238534165 573841841 /nfs/dbraw/zinc/84/18/41/573841841.db2.gz AYVZXHUEBIXWHP-UHFFFAOYSA-N 0 0 187.145 1.846 10 0 ADAERN Cc1cscc1[C@@H](C[NH3+])CC(=O)[O-] 214986876 573841844 /nfs/dbraw/zinc/84/18/44/573841844.db2.gz LRHRGPJGAQEHSB-SSDOTTSWSA-N 0 0 199.275 1.574 10 0 ADAERN COc1cccc(C)c1NCCCO 308760733 573841849 /nfs/dbraw/zinc/84/18/49/573841849.db2.gz XVAZRJSVGZIBFJ-UHFFFAOYSA-N 0 0 195.262 1.798 10 0 ADAERN CN(Cc1ncon1)[C@H]1CCC[C@@H]1F 585296834 573841856 /nfs/dbraw/zinc/84/18/56/573841856.db2.gz MAYZMWMWUUKNLA-YUMQZZPRSA-N 0 0 199.229 1.392 10 0 ADAERN CC[C@@]1(C)C[C@@H](CO)CCO1 84348651 573841858 /nfs/dbraw/zinc/84/18/58/573841858.db2.gz LHHVAVNYUARDHH-IUCAKERBSA-N 0 0 158.241 1.574 10 0 ADAERN CCC(CC)OC[C@@H]1CCCNC1=O 308449563 573841861 /nfs/dbraw/zinc/84/18/61/573841861.db2.gz ASEPENHYAYHUAI-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN CO[C@@H](Cc1ccccc1)[C@@H](C)CO 308450291 573841871 /nfs/dbraw/zinc/84/18/71/573841871.db2.gz QKCGEJBTMCMZDP-JQWIXIFHSA-N 0 0 194.274 1.873 10 0 ADAERN O[C@]1(Cc2ccco2)CCSC1 84344784 573841886 /nfs/dbraw/zinc/84/18/86/573841886.db2.gz QBKSQFCITKFOHL-VIFPVBQESA-N 0 0 184.260 1.690 10 0 ADAERN CC(C)NC(=S)C(=O)C(C)C 238158251 573841887 /nfs/dbraw/zinc/84/18/87/573841887.db2.gz FSGOZZCZZVXXDM-UHFFFAOYSA-N 0 0 173.281 1.537 10 0 ADAERN CNc1ccnc([C@]2(C)CCCO2)n1 87229150 573841892 /nfs/dbraw/zinc/84/18/92/573841892.db2.gz PEMXOYXCASQIOO-JTQLQIEISA-N 0 0 193.250 1.544 10 0 ADAERN [NH2+]=C1CCc2cccc(O)c2N1 259623185 573841899 /nfs/dbraw/zinc/84/18/99/573841899.db2.gz FOAANPQORZSISZ-UHFFFAOYSA-N 0 0 162.192 1.327 10 0 ADAERN CC[C@H](C)[C@H](NN)C1(OC)CCC1 122872977 573841901 /nfs/dbraw/zinc/84/19/01/573841901.db2.gz UCBSYSPPGUHHAL-IUCAKERBSA-N 0 0 186.299 1.434 10 0 ADAERN CN1C(=O)CCN(C(C)(C)C)C1=O 125232512 573841911 /nfs/dbraw/zinc/84/19/11/573841911.db2.gz VAQNUSFVGIABMD-UHFFFAOYSA-N 0 0 184.239 1.069 10 0 ADAERN C[C@]1(C(=O)c2ccc[nH]2)CCCO1 87229798 573841914 /nfs/dbraw/zinc/84/19/14/573841914.db2.gz CIVUCQQNOYOXAH-SNVBAGLBSA-N 0 0 179.219 1.767 10 0 ADAERN CC(C)NC(=O)c1csc(C=O)n1 238157578 573841917 /nfs/dbraw/zinc/84/19/17/573841917.db2.gz MIARIUCJHBDVEH-UHFFFAOYSA-N 0 0 198.247 1.094 10 0 ADAERN CN(Cc1ncon1)[C@@H]1CCC[C@@H]1F 585296832 573841925 /nfs/dbraw/zinc/84/19/25/573841925.db2.gz MAYZMWMWUUKNLA-JGVFFNPUSA-N 0 0 199.229 1.392 10 0 ADAERN O=c1c(=O)c2cc(Cl)ccc12 238534599 573841929 /nfs/dbraw/zinc/84/19/29/573841929.db2.gz SOIVOLVLCARMMP-UHFFFAOYSA-N 0 0 166.563 1.089 10 0 ADAERN CN(C)c1ccc(O)c(C2(O)CC2)c1 258150542 573841931 /nfs/dbraw/zinc/84/19/31/573841931.db2.gz 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573841999 /nfs/dbraw/zinc/84/19/99/573841999.db2.gz WLJHPAFAZASYHZ-KTOWXAHTSA-N 0 0 195.262 1.334 10 0 ADAERN CC(=O)c1nc(C)c(C=O)cc1C 238156264 573842011 /nfs/dbraw/zinc/84/20/11/573842011.db2.gz QZKKSMOPKNUDTG-UHFFFAOYSA-N 0 0 177.203 1.714 10 0 ADAERN Cc1noc(N)c1-c1cccc(O)c1 257887459 573842031 /nfs/dbraw/zinc/84/20/31/573842031.db2.gz WKUJPFFGLSOZMP-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN CC(C)C[C@@H]1C(=O)N[C@H](C)[C@@H]1C 238157207 573842046 /nfs/dbraw/zinc/84/20/46/573842046.db2.gz QANQEIZKEUIXCC-YIZRAAEISA-N 0 0 169.268 1.803 10 0 ADAERN COc1cc(C)c(O)cc1CON 258150598 573842059 /nfs/dbraw/zinc/84/20/59/573842059.db2.gz UBEBKLIOSIAVIS-UHFFFAOYSA-N 0 0 183.207 1.100 10 0 ADAERN CO[C@H](Cc1ccccc1)[C@@H](C)CO 308450290 573842076 /nfs/dbraw/zinc/84/20/76/573842076.db2.gz QKCGEJBTMCMZDP-CMPLNLGQSA-N 0 0 194.274 1.873 10 0 ADAERN CC[C@H]1COC[C@@]12CCC(=O)O2 687973376 573842089 /nfs/dbraw/zinc/84/20/89/573842089.db2.gz VROUCSOHCBUWHY-CBAPKCEASA-N 0 0 170.208 1.119 10 0 ADAERN C[C@@H](N)c1nnc([C@@]2(C)CCCO2)o1 87231304 573842103 /nfs/dbraw/zinc/84/21/03/573842103.db2.gz VCADFYVUDXFGJH-HZGVNTEJSA-N 0 0 197.238 1.115 10 0 ADAERN CC1CCC([C@H]2COC(N)=N2)CC1 84340294 573842105 /nfs/dbraw/zinc/84/21/05/573842105.db2.gz YZLOIJIQULDUHB-AMDVSUOASA-N 0 0 182.267 1.526 10 0 ADAERN Cc1c(C(F)F)cnc(CO)c1O 238534763 573842112 /nfs/dbraw/zinc/84/21/12/573842112.db2.gz ZPYHNPDLVIHEMK-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(=O)c1ncc2c(n1)CSC2 257887299 573842120 /nfs/dbraw/zinc/84/21/20/573842120.db2.gz MUYJLOLIJSYHEZ-UHFFFAOYSA-N 0 0 180.232 1.426 10 0 ADAERN C[C@@]1(c2n[nH]c(C3CC3)n2)CCCO1 87230301 573842131 /nfs/dbraw/zinc/84/21/31/573842131.db2.gz IMWRNLHMLVGZLN-JTQLQIEISA-N 0 0 193.250 1.708 10 0 ADAERN CC[C@@H](C)OC(=O)[C@H](CC)CO 78216982 573842136 /nfs/dbraw/zinc/84/21/36/573842136.db2.gz BKGPGSCHRCJVLI-HTQZYQBOSA-N 0 0 174.240 1.347 10 0 ADAERN Cn1nccc1-c1ccc(N)cn1 122870245 573842145 /nfs/dbraw/zinc/84/21/45/573842145.db2.gz MSFAAVFCFNEXGF-UHFFFAOYSA-N 0 0 174.207 1.064 10 0 ADAERN CC(C)(C)[C@@H]1C[C@@H]1NC(N)=O 238156842 573842159 /nfs/dbraw/zinc/84/21/59/573842159.db2.gz IMLCFHQDNXLVJF-RITPCOANSA-N 0 0 156.229 1.089 10 0 ADAERN COC(=N)[C@@]1(C)CCCO1 87228989 573842160 /nfs/dbraw/zinc/84/21/60/573842160.db2.gz AGMZFSHAUUHIKO-SSDOTTSWSA-N 0 0 143.186 1.179 10 0 ADAERN OC1(c2cccc3c2CCOC3)CC1 258150505 573842163 /nfs/dbraw/zinc/84/21/63/573842163.db2.gz TZOGGDGSJYZENQ-UHFFFAOYSA-N 0 0 190.242 1.741 10 0 ADAERN CN(c1cnccn1)[C@H]1CCC[C@H]1F 585297086 573842180 /nfs/dbraw/zinc/84/21/80/573842180.db2.gz UUJKLJUJSTWHRZ-BDAKNGLRSA-N 0 0 195.241 1.803 10 0 ADAERN C[C@@]1([C@@H](O)c2ccc[nH]2)CCCO1 87230868 573842198 /nfs/dbraw/zinc/84/21/98/573842198.db2.gz SCHZPZVKAVAYGD-UWVGGRQHSA-N 0 0 181.235 1.617 10 0 ADAERN CC[C@@]1(C)C[C@H](CO)CCO1 84348643 573842214 /nfs/dbraw/zinc/84/22/14/573842214.db2.gz LHHVAVNYUARDHH-BDAKNGLRSA-N 0 0 158.241 1.574 10 0 ADAERN CC(C)C[C@@H]1CCCO[C@H]1O 238156286 573842215 /nfs/dbraw/zinc/84/22/15/573842215.db2.gz UQMOHGCHVRYRAK-DTWKUNHWSA-N 0 0 158.241 1.778 10 0 ADAERN COC(=N)[C@]1(C)CCCO1 87228990 573842221 /nfs/dbraw/zinc/84/22/21/573842221.db2.gz AGMZFSHAUUHIKO-ZETCQYMHSA-N 0 0 143.186 1.179 10 0 ADAERN CNc1nc([C@]2(C)CCCO2)ns1 87229480 573842230 /nfs/dbraw/zinc/84/22/30/573842230.db2.gz DGVPGJXYYHASSN-QMMMGPOBSA-N 0 0 199.279 1.605 10 0 ADAERN CC(C)[C@@H](C(=O)[O-])[C@H]([NH3+])c1cc[nH]c1 259207406 573842234 /nfs/dbraw/zinc/84/22/34/573842234.db2.gz DSYUUYAZCHAOFQ-RKDXNWHRSA-N 0 0 196.250 1.371 10 0 ADAERN C[C@@]1(c2nc(Cl)n[nH]2)CCCO1 87229468 573842236 /nfs/dbraw/zinc/84/22/36/573842236.db2.gz IDFKMXXQISHGJQ-ZETCQYMHSA-N 0 0 187.630 1.484 10 0 ADAERN CC(C)C[C@@H]1CO[C@H](C(C)C)C(=O)N1 238158242 573842239 /nfs/dbraw/zinc/84/22/39/573842239.db2.gz PLOQHXJVCAIBOP-NXEZZACHSA-N 0 0 199.294 1.572 10 0 ADAERN Cc1csc(N(C)[C@H]2CC[C@H]2O)n1 585297403 573842243 /nfs/dbraw/zinc/84/22/43/573842243.db2.gz COFYIVPHOSPVCB-JGVFFNPUSA-N 0 0 198.291 1.411 10 0 ADAERN C[C@H](O)c1cnc(C[C@H]2CCCO2)o1 257887521 573842288 /nfs/dbraw/zinc/84/22/88/573842288.db2.gz ATKGVCWZTUGPJT-JGVFFNPUSA-N 0 0 197.234 1.449 10 0 ADAERN CN(CO)c1cccs1 258966751 573842290 /nfs/dbraw/zinc/84/22/90/573842290.db2.gz UJZKDSCLGHOKKT-UHFFFAOYSA-N 0 0 143.211 1.134 10 0 ADAERN CC(C)C[C@@H]1CSCCNC1=O 238158370 573842322 /nfs/dbraw/zinc/84/23/22/573842322.db2.gz VJNVXEBEZZKXQS-MRVPVSSYSA-N 0 0 187.308 1.512 10 0 ADAERN CC(=O)C[C@H]1COC[C@H]1C(C)C 238157528 573842348 /nfs/dbraw/zinc/84/23/48/573842348.db2.gz FFXFVSAKXVHNIA-UWVGGRQHSA-N 0 0 170.252 1.884 10 0 ADAERN CC(C)(C)[C@@H]1C[C@](C)(O)C(=S)N1 238157689 573842357 /nfs/dbraw/zinc/84/23/57/573842357.db2.gz QPLJBRYOXSXDMN-RCOVLWMOSA-N 0 0 187.308 1.473 10 0 ADAERN CN(c1cnccn1)[C@@H]1CCC[C@H]1F 585297089 573842359 /nfs/dbraw/zinc/84/23/59/573842359.db2.gz UUJKLJUJSTWHRZ-RKDXNWHRSA-N 0 0 195.241 1.803 10 0 ADAERN C[C@@H](CC[NH2+]Cc1cc[nH]c1)C(=O)[O-] 258968246 573842365 /nfs/dbraw/zinc/84/23/65/573842365.db2.gz WSRHQBKEZKEZHJ-QMMMGPOBSA-N 0 0 196.250 1.215 10 0 ADAERN C[C@H](O)c1nc([C@@]2(C)CCCO2)no1 87229417 573842367 /nfs/dbraw/zinc/84/23/67/573842367.db2.gz RLJICQUJZQMGMI-IMTBSYHQSA-N 0 0 198.222 1.149 10 0 ADAERN C[C@@H]1CCC[C@H]([C@@H]2CC(=O)N2)C1 84347167 573842376 /nfs/dbraw/zinc/84/23/76/573842376.db2.gz TYTVZOHFLNFLQW-VGMNWLOBSA-N 0 0 167.252 1.701 10 0 ADAERN C[C@H](CO)CN(C)C(=O)C1CC=CC1 688721170 573842398 /nfs/dbraw/zinc/84/23/98/573842398.db2.gz PBERLZWMPQRXGS-VIFPVBQESA-N 0 0 197.278 1.039 10 0 ADAERN CC(C)C[C@@H]1NC(=O)N[C@H]1C 238160353 573847123 /nfs/dbraw/zinc/84/71/23/573847123.db2.gz AQVODMGPVMCICS-BQBZGAKWSA-N 0 0 156.229 1.102 10 0 ADAERN CC[C@H]1C[C@H](CO)CCO1 84348674 573847152 /nfs/dbraw/zinc/84/71/52/573847152.db2.gz BKCZLTJBOIASEU-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN COC[C@@H](C)c1nc(C)cc(F)n1 690214954 573847157 /nfs/dbraw/zinc/84/71/57/573847157.db2.gz XXZREWDCSQEHOP-ZCFIWIBFSA-N 0 0 184.214 1.674 10 0 ADAERN Cc1csc(N[C@H]2CC[C@@H]2O)n1 585298256 573847162 /nfs/dbraw/zinc/84/71/62/573847162.db2.gz RWIPVYWAFLJEEJ-BQBZGAKWSA-N 0 0 184.264 1.387 10 0 ADAERN CC[C@H](N[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)OC 308452031 573847166 /nfs/dbraw/zinc/84/71/66/573847166.db2.gz CRWNVSZLTGVNSX-XFWSIPNHSA-N 0 0 197.278 1.326 10 0 ADAERN Cc1cc(F)c(O)c([C@@H](C)CO)c1 258158100 573847203 /nfs/dbraw/zinc/84/72/03/573847203.db2.gz UWWZBJDYRPLMQA-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN O=c1[nH]c2c(C3(O)CC3)cccc2o1 258158104 573847209 /nfs/dbraw/zinc/84/72/09/573847209.db2.gz UXBCNFCIHJFMTK-UHFFFAOYSA-N 0 0 191.186 1.515 10 0 ADAERN Cc1oc(CO)nc1[C@H]1CCCCO1 258159594 573846415 /nfs/dbraw/zinc/84/64/15/573846415.db2.gz SPUJWRRGXITGGV-MRVPVSSYSA-N 0 0 197.234 1.717 10 0 ADAERN CCc1nc2cccc(OC)n2n1 257888176 573847216 /nfs/dbraw/zinc/84/72/16/573847216.db2.gz GERRBIOCIJNIAE-UHFFFAOYSA-N 0 0 177.207 1.300 10 0 ADAERN COc1ccc(C[C@@H](C)O)c(C=O)c1 258158092 573847217 /nfs/dbraw/zinc/84/72/17/573847217.db2.gz UWOYLZXVHROQOK-MRVPVSSYSA-N 0 0 194.230 1.431 10 0 ADAERN C[C@@H](O)CCc1cccn1C 84350512 573846423 /nfs/dbraw/zinc/84/64/23/573846423.db2.gz BQQQHQTVSDNZLO-MRVPVSSYSA-N 0 0 153.225 1.339 10 0 ADAERN F[C@@H]1COC[C@H]1Nc1ccccn1 585298460 573846439 /nfs/dbraw/zinc/84/64/39/573846439.db2.gz VTBUSQILXQLNFH-HTQZYQBOSA-N 0 0 182.198 1.230 10 0 ADAERN CC(=O)c1nnc(C(F)(F)F)s1 238161223 573846465 /nfs/dbraw/zinc/84/64/65/573846465.db2.gz USZLWHYAQDVOLK-UHFFFAOYSA-N 0 0 196.153 1.760 10 0 ADAERN C[C@@H](O)[C@H]1CSc2ccc(O)cc21 258159980 573846480 /nfs/dbraw/zinc/84/64/80/573846480.db2.gz RMWODSKVFQQVGW-HZGVNTEJSA-N 0 0 196.271 1.962 10 0 ADAERN CC[C@H](N[C@@H]1CC[C@H]2C[C@H]21)C(=O)OC 308452029 573846483 /nfs/dbraw/zinc/84/64/83/573846483.db2.gz CRWNVSZLTGVNSX-QCLAVDOMSA-N 0 0 197.278 1.326 10 0 ADAERN C[C@H](O)Cc1ccc(C(C)(C)O)cc1 258160751 573846487 /nfs/dbraw/zinc/84/64/87/573846487.db2.gz VDFUWJRITCTSAE-VIFPVBQESA-N 0 0 194.274 1.837 10 0 ADAERN Cc1cc(F)cn2cnnc12 238537409 573846502 /nfs/dbraw/zinc/84/65/02/573846502.db2.gz PZQKCZUBHVUEGC-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN Oc1cccc(OC[C@@H](O)C2CC2)c1 258160628 573846511 /nfs/dbraw/zinc/84/65/11/573846511.db2.gz HPWAJBNGOQRICN-LLVKDONJSA-N 0 0 194.230 1.542 10 0 ADAERN COc1cccc2c1C[C@H]2O 258443044 573846514 /nfs/dbraw/zinc/84/65/14/573846514.db2.gz FCRCRNOQBXKEHS-MRVPVSSYSA-N 0 0 150.177 1.285 10 0 ADAERN CN(c1ncccc1F)[C@H]1CC[C@H]1O 585298595 573846530 /nfs/dbraw/zinc/84/65/30/573846530.db2.gz XUONZMDTMDFPHU-DTWKUNHWSA-N 0 0 196.225 1.180 10 0 ADAERN CC(C)NC(=S)c1ccco1 238160067 573846552 /nfs/dbraw/zinc/84/65/52/573846552.db2.gz ADTJCIQTZCMRDN-UHFFFAOYSA-N 0 0 169.249 1.953 10 0 ADAERN O=Cc1cc2ccc(Cl)cn2n1 238536176 573846554 /nfs/dbraw/zinc/84/65/54/573846554.db2.gz VHJVROZTDLFVKN-UHFFFAOYSA-N 0 0 180.594 1.800 10 0 ADAERN CC[C@@H]1C[C@H](CO)CCO1 84348670 573846557 /nfs/dbraw/zinc/84/65/57/573846557.db2.gz BKCZLTJBOIASEU-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN CC(C)=CCc1cnc(N)nc1C 238159912 573846563 /nfs/dbraw/zinc/84/65/63/573846563.db2.gz ZHWBYZVOSFUTFV-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN C[C@@H](O)C[C@H]1COc2ccccc21 258160682 573846609 /nfs/dbraw/zinc/84/66/09/573846609.db2.gz LSJALDWFPMMVTB-BDAKNGLRSA-N 0 0 178.231 1.934 10 0 ADAERN CC(=O)c1nccc2nccnc12 238159701 573846630 /nfs/dbraw/zinc/84/66/30/573846630.db2.gz XDOMGDSGFJWMPQ-UHFFFAOYSA-N 0 0 173.175 1.227 10 0 ADAERN C[C@@H](O)CCc1cn2ccccc2n1 84350717 573846647 /nfs/dbraw/zinc/84/66/47/573846647.db2.gz GARRPFFWYAYVDD-SECBINFHSA-N 0 0 190.246 1.648 10 0 ADAERN Cc1oc(C(N)=O)c(Cl)c1Cl 238536260 573846654 /nfs/dbraw/zinc/84/66/54/573846654.db2.gz FOGHJPDSSGEDIQ-UHFFFAOYSA-N 0 0 194.017 1.994 10 0 ADAERN Cn1c(N)cnc1-c1cccs1 238536606 573846661 /nfs/dbraw/zinc/84/66/61/573846661.db2.gz PZDWKGDVVOIPEW-UHFFFAOYSA-N 0 0 179.248 1.731 10 0 ADAERN Oc1cccc(OC[C@H](O)C2CC2)c1 258160631 573846666 /nfs/dbraw/zinc/84/66/66/573846666.db2.gz HPWAJBNGOQRICN-NSHDSACASA-N 0 0 194.230 1.542 10 0 ADAERN O=C1NCc2cccc(OC(F)F)c21 238535807 573846670 /nfs/dbraw/zinc/84/66/70/573846670.db2.gz HSEILEAIILCWAS-UHFFFAOYSA-N 0 0 199.156 1.531 10 0 ADAERN C[N@H+](C[C@H]1C[C@@H]1C(=O)[O-])C1CCC1 258971840 573846685 /nfs/dbraw/zinc/84/66/85/573846685.db2.gz XCKCQRKBCRBSQY-APPZFPTMSA-N 0 0 183.251 1.191 10 0 ADAERN Cc1oc(C(F)(F)F)nc1C=O 238536195 573846686 /nfs/dbraw/zinc/84/66/86/573846686.db2.gz IREZBZPXPAZKAG-UHFFFAOYSA-N 0 0 179.097 1.814 10 0 ADAERN CC(=O)c1ncccc1C1OCCO1 238160228 573846720 /nfs/dbraw/zinc/84/67/20/573846720.db2.gz LYIMSLOXRFALDB-UHFFFAOYSA-N 0 0 193.202 1.330 10 0 ADAERN FC(F)(F)Oc1ccc[nH]1 238535790 573846725 /nfs/dbraw/zinc/84/67/25/573846725.db2.gz VSLOLFFGEWASAL-UHFFFAOYSA-N 0 0 151.087 1.913 10 0 ADAERN COCc1cc(OC)ccc1CON 258160603 573846734 /nfs/dbraw/zinc/84/67/34/573846734.db2.gz UZGWQFDLSOPVKA-UHFFFAOYSA-N 0 0 197.234 1.232 10 0 ADAERN CC(=O)C1=C(O)CSC1(C)C 238159285 573846745 /nfs/dbraw/zinc/84/67/45/573846745.db2.gz XLAOHZGRVUJNBF-SSDOTTSWSA-N 0 0 172.249 1.286 10 0 ADAERN COc1cccc2c1C[C@@H]2O 258443048 573846752 /nfs/dbraw/zinc/84/67/52/573846752.db2.gz FCRCRNOQBXKEHS-QMMMGPOBSA-N 0 0 150.177 1.285 10 0 ADAERN CN(Cc1cocn1)[C@H]1CCC[C@@H]1O 585298671 573846757 /nfs/dbraw/zinc/84/67/57/573846757.db2.gz YXKCLBGIDMIKIE-UWVGGRQHSA-N 0 0 196.250 1.020 10 0 ADAERN O=C1Cc2cccc(OC(F)F)c2N1 238535718 573846772 /nfs/dbraw/zinc/84/67/72/573846772.db2.gz DVIRJVGHRDJNSB-UHFFFAOYSA-N 0 0 199.156 1.783 10 0 ADAERN Cc1oc(C(N)=O)c2c1CCCC2 238536284 573846783 /nfs/dbraw/zinc/84/67/83/573846783.db2.gz CADYIMVPLPQRLK-UHFFFAOYSA-N 0 0 179.219 1.566 10 0 ADAERN CCCCCC(=O)O[C@@H]1CCOC1 308452399 573846811 /nfs/dbraw/zinc/84/68/11/573846811.db2.gz DXLOANSFHUWEFL-SECBINFHSA-N 0 0 186.251 1.899 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1nccs1 585298448 573846829 /nfs/dbraw/zinc/84/68/29/573846829.db2.gz VPVYMKXRFQPVCL-NTSWFWBYSA-N 0 0 170.237 1.078 10 0 ADAERN CC(C)[C@@H]1C=C[C@@H](CNC(N)=O)CC1 238159877 573846846 /nfs/dbraw/zinc/84/68/46/573846846.db2.gz SMUPSEDGDIXREX-NXEZZACHSA-N 0 0 196.294 1.893 10 0 ADAERN CC[C@@H]1C[C@@H](CO)CCO1 84348678 573846847 /nfs/dbraw/zinc/84/68/47/573846847.db2.gz BKCZLTJBOIASEU-JGVFFNPUSA-N 0 0 144.214 1.184 10 0 ADAERN Cc1nn(C)cc1-c1ccc(N)cn1 122882238 573846853 /nfs/dbraw/zinc/84/68/53/573846853.db2.gz GYFPUVMDOFTPKI-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)c1nnn(C2CC2)c1C=O 257888158 573846857 /nfs/dbraw/zinc/84/68/57/573846857.db2.gz MYPRBLQVWNEYPD-UHFFFAOYSA-N 0 0 179.223 1.549 10 0 ADAERN CC(=O)CCc1cn2ccccc2n1 84349370 573846875 /nfs/dbraw/zinc/84/68/75/573846875.db2.gz ZYLBQVJAQHKTES-UHFFFAOYSA-N 0 0 188.230 1.856 10 0 ADAERN CC(C)[C@@H]1C[C@@H]1[C@@H](C)O 238160279 573846882 /nfs/dbraw/zinc/84/68/82/573846882.db2.gz BXUCLYFKEMPUFN-GJMOJQLCSA-N 0 0 128.215 1.659 10 0 ADAERN Cc1csc(N[C@H]2CC[C@H]2O)n1 585298257 573846884 /nfs/dbraw/zinc/84/68/84/573846884.db2.gz RWIPVYWAFLJEEJ-NKWVEPMBSA-N 0 0 184.264 1.387 10 0 ADAERN CC(C)C[C@@H]1NC(=O)O[C@@H]1C 238160402 573846888 /nfs/dbraw/zinc/84/68/88/573846888.db2.gz YVWOMDRJZXBFKR-RQJHMYQMSA-N 0 0 157.213 1.529 10 0 ADAERN Cn1nnc2cc(C(C)(C)O)ccc21 258160592 573846889 /nfs/dbraw/zinc/84/68/89/573846889.db2.gz UYPFJFPNZOVXAK-UHFFFAOYSA-N 0 0 191.234 1.196 10 0 ADAERN Cc1cc(C)c(C(N)=O)c(C)c1O 238535775 573846906 /nfs/dbraw/zinc/84/69/06/573846906.db2.gz QCOYSQQHKNVNGQ-UHFFFAOYSA-N 0 0 179.219 1.416 10 0 ADAERN CN(c1ncccc1F)[C@@H]1CC[C@H]1O 585298597 573846966 /nfs/dbraw/zinc/84/69/66/573846966.db2.gz XUONZMDTMDFPHU-RKDXNWHRSA-N 0 0 196.225 1.180 10 0 ADAERN CCNC(=O)N(C)CCOC(C)C 131336953 573846985 /nfs/dbraw/zinc/84/69/85/573846985.db2.gz ALOYJKDJQSTIEZ-UHFFFAOYSA-N 0 0 188.271 1.073 10 0 ADAERN CC(=O)c1nccc2oc(CO)cc12 238159845 573846990 /nfs/dbraw/zinc/84/69/90/573846990.db2.gz LMEQQGNTGOQWEM-UHFFFAOYSA-N 0 0 191.186 1.523 10 0 ADAERN CC(C)C[C@H]1NC2(CCCC2)OC1=O 238160183 573847015 /nfs/dbraw/zinc/84/70/15/573847015.db2.gz WQFNCSSDRZABQJ-SECBINFHSA-N 0 0 197.278 1.818 10 0 ADAERN C[C@@H](O)C[C@@H]1COc2ccccc21 258160690 573847021 /nfs/dbraw/zinc/84/70/21/573847021.db2.gz LSJALDWFPMMVTB-RKDXNWHRSA-N 0 0 178.231 1.934 10 0 ADAERN CCC[C@H](C)[C@H]1COC[C@@H]1O 687966528 573847041 /nfs/dbraw/zinc/84/70/41/573847041.db2.gz LIPIFLDPMRXZEZ-YIZRAAEISA-N 0 0 158.241 1.430 10 0 ADAERN Cc1ccc2ncc(CO)n2c1C 238537011 573847054 /nfs/dbraw/zinc/84/70/54/573847054.db2.gz CILUEWHNNNTAKP-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN NC(=O)CCSc1ccsc1 238536506 573847076 /nfs/dbraw/zinc/84/70/76/573847076.db2.gz CLZCIOVDPVZKCS-UHFFFAOYSA-N 0 0 187.289 1.716 10 0 ADAERN CC(=O)[C@H]1C[C@@H](C(C)C)C(=O)O1 238161211 573847079 /nfs/dbraw/zinc/84/70/79/573847079.db2.gz KNZZIMLLXZKXNH-JGVFFNPUSA-N 0 0 170.208 1.163 10 0 ADAERN Cc1oc(C(C)(C)C)c(CO)c1CO 238535773 573847081 /nfs/dbraw/zinc/84/70/81/573847081.db2.gz WNVLOPRGRGKHDW-UHFFFAOYSA-N 0 0 198.262 1.870 10 0 ADAERN CC(C)(C)[C@@H]1[C@H](C(N)=O)C1(C)C 238159687 573847085 /nfs/dbraw/zinc/84/70/85/573847085.db2.gz YSJSVHTXRBHQRO-RQJHMYQMSA-N 0 0 169.268 1.790 10 0 ADAERN CC(=O)c1ncn2c(C=O)csc12 238160653 573847089 /nfs/dbraw/zinc/84/70/89/573847089.db2.gz UPZIIECLRYIKCN-UHFFFAOYSA-N 0 0 194.215 1.411 10 0 ADAERN CC(=O)c1nccc2ncccc12 238159665 573847110 /nfs/dbraw/zinc/84/71/10/573847110.db2.gz YMYSWBWEDSAOHS-UHFFFAOYSA-N 0 0 172.187 1.832 10 0 ADAERN Cc1nc(-c2cnc(N)s2)no1 238537562 573847817 /nfs/dbraw/zinc/84/78/17/573847817.db2.gz IAMDBOOVZDLDEY-UHFFFAOYSA-N 0 0 182.208 1.084 10 0 ADAERN Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]1O 585298158 573847855 /nfs/dbraw/zinc/84/78/55/573847855.db2.gz QVYRYWPXMDYPNF-NEPJUHHUSA-N 0 0 191.274 1.608 10 0 ADAERN C[C@H](CO)c1cccc2cnncc12 258158058 573847865 /nfs/dbraw/zinc/84/78/65/573847865.db2.gz UUXSHMRKJZZSLP-MRVPVSSYSA-N 0 0 188.230 1.726 10 0 ADAERN Cc1csc(N[C@@H]2CC[C@@H]2O)n1 585298259 573847890 /nfs/dbraw/zinc/84/78/90/573847890.db2.gz RWIPVYWAFLJEEJ-RQJHMYQMSA-N 0 0 184.264 1.387 10 0 ADAERN C/C(=C/C[NH2+]C1CCCCC1)C(=O)[O-] 308452748 573847892 /nfs/dbraw/zinc/84/78/92/573847892.db2.gz UEUYXSCMPSIMKD-CLFYSBASSA-N 0 0 197.278 1.940 10 0 ADAERN F[C@@H]1COC[C@@H]1Nc1ccccn1 585298462 573847898 /nfs/dbraw/zinc/84/78/98/573847898.db2.gz VTBUSQILXQLNFH-SFYZADRCSA-N 0 0 182.198 1.230 10 0 ADAERN C[C@@H](N)c1ncc([C@@]2(C)CCCO2)o1 87231507 573847907 /nfs/dbraw/zinc/84/79/07/573847907.db2.gz NMFJVMLVTXYFEH-GMSGAONNSA-N 0 0 196.250 1.720 10 0 ADAERN Cc1c(C(F)F)[nH]c(CO)cc1=O 238537764 573847916 /nfs/dbraw/zinc/84/79/16/573847916.db2.gz DQDVYNRRJPUJNB-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC[C@H](C[C@@](C)(O)CC)[C@H](C)O 253287148 573847228 /nfs/dbraw/zinc/84/72/28/573847228.db2.gz PDMOFEFEGKBIAO-AEJSXWLSSA-N 0 0 174.284 1.945 10 0 ADAERN Nc1ccc(C2=CCOC2)cc1 258517129 573847234 /nfs/dbraw/zinc/84/72/34/573847234.db2.gz LXUUQCMVJSXFEM-UHFFFAOYSA-N 0 0 161.204 1.682 10 0 ADAERN O=c1nc(C2CCCC2)o[nH]1 258158891 573847252 /nfs/dbraw/zinc/84/72/52/573847252.db2.gz WRDRCLDWAPGSRR-UHFFFAOYSA-N 0 0 154.169 1.433 10 0 ADAERN COC(=O)[C@@]1(c2cc[nH]c2)CC1(C)C 258970172 573847273 /nfs/dbraw/zinc/84/72/73/573847273.db2.gz IACUUWZGUOUJJG-NSHDSACASA-N 0 0 193.246 1.855 10 0 ADAERN CCOc1cc(OC)ccc1CON 258160652 573847275 /nfs/dbraw/zinc/84/72/75/573847275.db2.gz VAKUAOKJDITJEL-UHFFFAOYSA-N 0 0 197.234 1.484 10 0 ADAERN COC(=O)CC1(C(C)C)COC1 258517089 573847287 /nfs/dbraw/zinc/84/72/87/573847287.db2.gz GQKLXMLZGVZWRH-UHFFFAOYSA-N 0 0 172.224 1.222 10 0 ADAERN O[C@H]1CC[C@H]1Nc1ncccc1F 585298280 573847304 /nfs/dbraw/zinc/84/73/04/573847304.db2.gz SJUJLHMOSVFHNG-SFYZADRCSA-N 0 0 182.198 1.156 10 0 ADAERN Cc1[nH]c(OC2CC2)nc1OC1CC1 238526714 573847317 /nfs/dbraw/zinc/84/73/17/573847317.db2.gz IBKXMTAYAHQOIZ-UHFFFAOYSA-N 0 0 194.234 1.801 10 0 ADAERN CC(=O)c1c(C)ccc2c1OCCO2 258158063 573847332 /nfs/dbraw/zinc/84/73/32/573847332.db2.gz UUYHNCAFUZCXDG-UHFFFAOYSA-N 0 0 192.214 1.969 10 0 ADAERN Cc1cc(F)c(O)c([C@H](C)CO)c1 258158099 573847398 /nfs/dbraw/zinc/84/73/98/573847398.db2.gz UWWZBJDYRPLMQA-SSDOTTSWSA-N 0 0 184.210 1.936 10 0 ADAERN CN(c1ccccn1)[C@@H]1CC[C@H]1O 585298548 573847408 /nfs/dbraw/zinc/84/74/08/573847408.db2.gz XAHAZQFVZLPHOO-RKDXNWHRSA-N 0 0 178.235 1.041 10 0 ADAERN N#CNc1ccc(-c2ccncc2)nn1 259210148 573847417 /nfs/dbraw/zinc/84/74/17/573847417.db2.gz IRQWWEBQDURBHU-UHFFFAOYSA-N 0 0 197.201 1.432 10 0 ADAERN CNCc1ncc([C@@]2(C)CCCO2)o1 87231512 573847491 /nfs/dbraw/zinc/84/74/91/573847491.db2.gz ALQTWQZFZCKNNN-SNVBAGLBSA-N 0 0 196.250 1.420 10 0 ADAERN Nc1snnc1Cc1ccccn1 84352583 573847492 /nfs/dbraw/zinc/84/74/92/573847492.db2.gz NOLLBGIGVYUMEP-UHFFFAOYSA-N 0 0 192.247 1.106 10 0 ADAERN CN(c1ncccc1F)[C@@H]1CC[C@@H]1O 585298594 573847512 /nfs/dbraw/zinc/84/75/12/573847512.db2.gz XUONZMDTMDFPHU-BDAKNGLRSA-N 0 0 196.225 1.180 10 0 ADAERN CC1(C)C[C@@H](C(=O)[O-])C[N@@H+]1C1CC1 259209974 573847515 /nfs/dbraw/zinc/84/75/15/573847515.db2.gz CNGOAWKRWKGRQF-SSDOTTSWSA-N 0 0 183.251 1.334 10 0 ADAERN COCCCCC1=C[C@@H](O)CC1 131331577 573847523 /nfs/dbraw/zinc/84/75/23/573847523.db2.gz MEHUJWPVNCKZKU-JTQLQIEISA-N 0 0 170.252 1.884 10 0 ADAERN CCCc1ccc(N(C)CNN)cc1 258972128 573847527 /nfs/dbraw/zinc/84/75/27/573847527.db2.gz BQBBMVXSRHAKCQ-UHFFFAOYSA-N 0 0 193.294 1.496 10 0 ADAERN Cc1nn(C)c(C)c1CC[C@H](C)O 84350447 573847542 /nfs/dbraw/zinc/84/75/42/573847542.db2.gz ZQQAIUQLPCMLTB-ZETCQYMHSA-N 0 0 182.267 1.350 10 0 ADAERN C1CCC2(CC1)CNNC2 258517166 573847549 /nfs/dbraw/zinc/84/75/49/573847549.db2.gz LYIKIFQHLRSDOR-UHFFFAOYSA-N 0 0 140.230 1.045 10 0 ADAERN Cc1nc(CN[C@H]2CC23CC3)oc1C 715356869 573847558 /nfs/dbraw/zinc/84/75/58/573847558.db2.gz RUIZNVJAGLBPLQ-VIFPVBQESA-N 0 0 192.262 1.934 10 0 ADAERN C[C@H](N)c1ncc([C@]2(C)CCCO2)o1 87231504 573847606 /nfs/dbraw/zinc/84/76/06/573847606.db2.gz NMFJVMLVTXYFEH-XVKPBYJWSA-N 0 0 196.250 1.720 10 0 ADAERN O[C@@H]1CC[C@@H]1Nc1ncccc1F 585298279 573847607 /nfs/dbraw/zinc/84/76/07/573847607.db2.gz SJUJLHMOSVFHNG-JGVFFNPUSA-N 0 0 182.198 1.156 10 0 ADAERN CCc1ccc(C)c([C@H]([NH3+])C(=O)[O-])c1 258158079 573847616 /nfs/dbraw/zinc/84/76/16/573847616.db2.gz UVNIUVBRMBCRPA-JTQLQIEISA-N 0 0 193.246 1.642 10 0 ADAERN CONCc1cc(F)cc(F)c1C 258150744 573847630 /nfs/dbraw/zinc/84/76/30/573847630.db2.gz UEKSSHHUZPACOA-UHFFFAOYSA-N 0 0 187.189 1.924 10 0 ADAERN C[C@@H]1NCC(=O)N1CC1(C)CCCC1 125249120 573847634 /nfs/dbraw/zinc/84/76/34/573847634.db2.gz ZGHJMLARYDBTQU-SECBINFHSA-N 0 0 196.294 1.345 10 0 ADAERN Cc1nc(Cl)c(-c2cncnc2)[nH]1 238537700 573847655 /nfs/dbraw/zinc/84/76/55/573847655.db2.gz XJKIPXFROGGVFC-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN Cc1cc(O)cc([C@@H](C)CO)c1F 258160721 573847673 /nfs/dbraw/zinc/84/76/73/573847673.db2.gz VCLGOHGQCRPHPY-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN CC(=O)c1cc2c([nH]c1=O)CCOC2 257888524 573847676 /nfs/dbraw/zinc/84/76/76/573847676.db2.gz WPPCBZNIGRLUNZ-UHFFFAOYSA-N 0 0 193.202 1.063 10 0 ADAERN Cc1nc(-c2csc(C[NH3+])c2)c[nH]1 238537827 573847681 /nfs/dbraw/zinc/84/76/81/573847681.db2.gz UMOJKKHMEUZBPX-UHFFFAOYSA-N 0 0 193.275 1.905 10 0 ADAERN C[N@H+](C[C@@H]1C[C@@H]1C(=O)[O-])C1CCC1 258971842 573847682 /nfs/dbraw/zinc/84/76/82/573847682.db2.gz XCKCQRKBCRBSQY-CBAPKCEASA-N 0 0 183.251 1.191 10 0 ADAERN CC(C)C[C@@H](O)C[C@]1(C)CO1 238151469 573847777 /nfs/dbraw/zinc/84/77/77/573847777.db2.gz GZOHCBGBGLMKTL-RKDXNWHRSA-N 0 0 158.241 1.572 10 0 ADAERN CC(C)OCC[C@@H](C)[C@@H](C)O 43658749 573859264 /nfs/dbraw/zinc/85/92/64/573859264.db2.gz BMRYGGUCTVQJCJ-RKDXNWHRSA-N 0 0 160.257 1.818 10 0 ADAERN OCC/C=C\[C@H]1CCCOC1 258163657 573859272 /nfs/dbraw/zinc/85/92/72/573859272.db2.gz LCANVJMAZSKSJK-LVXRCVOFSA-N 0 0 156.225 1.352 10 0 ADAERN COc1c(CO)cnn1C(C)(C)C 258156091 573859298 /nfs/dbraw/zinc/85/92/98/573859298.db2.gz YDAPDCVAKDLPSV-UHFFFAOYSA-N 0 0 184.239 1.139 10 0 ADAERN CC(=O)[C@@H]1C[C@@H](C(C)=O)C1(C)C 238168116 573859299 /nfs/dbraw/zinc/85/92/99/573859299.db2.gz XHHYTNWOVZINPB-IUCAKERBSA-N 0 0 168.236 1.827 10 0 ADAERN CC(C)C[C@H](C)C(N)=O 101350586 573859303 /nfs/dbraw/zinc/85/93/03/573859303.db2.gz POLRBXCXVRASTG-LURJTMIESA-N 0 0 129.203 1.154 10 0 ADAERN Cc1cnc2c(c1)NC[C@H](C)N2C 87261736 573859304 /nfs/dbraw/zinc/85/93/04/573859304.db2.gz FPVDLWDWZJKXTL-QMMMGPOBSA-N 0 0 177.251 1.640 10 0 ADAERN C=CC(=O)Nc1cccc(Cl)n1 122932886 573859306 /nfs/dbraw/zinc/85/93/06/573859306.db2.gz MKWIEMFODHDYBY-UHFFFAOYSA-N 0 0 182.610 1.860 10 0 ADAERN C=CCCC[NH+]1CC([C@@H](C)C(=O)[O-])C1 130103132 573859324 /nfs/dbraw/zinc/85/93/24/573859324.db2.gz OSRLSTBCPFXJEY-SECBINFHSA-N 0 0 197.278 1.605 10 0 ADAERN Cc1nn(C)c2c1NCC(C)(C)N2C 87261531 573859326 /nfs/dbraw/zinc/85/93/26/573859326.db2.gz KOGMFFSZNABJSJ-UHFFFAOYSA-N 0 0 194.282 1.369 10 0 ADAERN CCc1nn(C)c2c1NC[C@@H](C)CN2 87261483 573859333 /nfs/dbraw/zinc/85/93/33/573859333.db2.gz OGJTZGANTXHHSR-SSDOTTSWSA-N 0 0 194.282 1.456 10 0 ADAERN Cc1ccc2c(c1)[C@@H]1NC(=O)C[C@H]1C2 238548206 573859359 /nfs/dbraw/zinc/85/93/59/573859359.db2.gz FNFXVOOKQAZQFT-BXKDBHETSA-N 0 0 187.242 1.728 10 0 ADAERN CC(C)=C[C@H](O)C(C)(C)CO 238169110 573858574 /nfs/dbraw/zinc/85/85/74/573858574.db2.gz JTPDFROUFHETEA-QMMMGPOBSA-N 0 0 158.241 1.332 10 0 ADAERN CCN1CC[NH2+]Cc2cc(F)ccc21 258157497 573858578 /nfs/dbraw/zinc/85/85/78/573858578.db2.gz SLIGWHKNZUYLHC-UHFFFAOYSA-N 0 0 194.253 1.755 10 0 ADAERN CCn1nc(C)c2c1N(C)[C@H](C)CN2 87261746 573858589 /nfs/dbraw/zinc/85/85/89/573858589.db2.gz VGJTUZPRSXGWHE-SSDOTTSWSA-N 0 0 194.282 1.462 10 0 ADAERN CCC[C@H](OC(C)=O)C(=O)OCC 308456949 573858591 /nfs/dbraw/zinc/85/85/91/573858591.db2.gz GHTFQBJCNBZPAY-QMMMGPOBSA-N 0 0 188.223 1.281 10 0 ADAERN CC(C)=C[C@@]1(O)CCCC1=O 238167930 573858595 /nfs/dbraw/zinc/85/85/95/573858595.db2.gz OOSCJBLMWNXBSB-VIFPVBQESA-N 0 0 154.209 1.437 10 0 ADAERN CC[C@H](O)[C@@H](C)n1cnc(C(C)C)n1 308456463 573858597 /nfs/dbraw/zinc/85/85/97/573858597.db2.gz DEPYFFCWGZRJAS-BDAKNGLRSA-N 0 0 197.282 1.733 10 0 ADAERN O[C@@H]1CC[C@@H]2N=C(C3CC3)O[C@H]2C1 258156239 573858603 /nfs/dbraw/zinc/85/86/03/573858603.db2.gz YEXVPZMOFHFEDK-VGMNWLOBSA-N 0 0 181.235 1.107 10 0 ADAERN OCC/C=C\[C@@H]1CCCOC1 258163659 573858619 /nfs/dbraw/zinc/85/86/19/573858619.db2.gz LCANVJMAZSKSJK-RZXPJHQTSA-N 0 0 156.225 1.352 10 0 ADAERN CC(C)OCC[C@H]1CCC[C@H]1O 43656320 573858632 /nfs/dbraw/zinc/85/86/32/573858632.db2.gz QGMWBBUCFVRWGI-NXEZZACHSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)(O)/C=C/[C@H](O)c1ccco1 238167343 573858636 /nfs/dbraw/zinc/85/86/36/573858636.db2.gz INCSUNLGJKIKNA-GJIOHYHPSA-N 0 0 182.219 1.640 10 0 ADAERN CC(C)N1CCNc2cccnc21 87261261 573858646 /nfs/dbraw/zinc/85/86/46/573858646.db2.gz MQLHNLKIXMIVCX-UHFFFAOYSA-N 0 0 177.251 1.722 10 0 ADAERN Cc1c(F)cc(F)cc1CCON 258157960 573858653 /nfs/dbraw/zinc/85/86/53/573858653.db2.gz UTEAGMAGHZNVGL-UHFFFAOYSA-N 0 0 187.189 1.706 10 0 ADAERN CC(C)Nc1ncnc2ocnc12 238167406 573858665 /nfs/dbraw/zinc/85/86/65/573858665.db2.gz WAEQXEZRFMFFND-UHFFFAOYSA-N 0 0 178.195 1.438 10 0 ADAERN CC(C)c1nc2ccc(CO)nc2o1 238169674 573858674 /nfs/dbraw/zinc/85/86/74/573858674.db2.gz XIAAVHBWICLMHK-UHFFFAOYSA-N 0 0 192.218 1.839 10 0 ADAERN C[C@H](O)Cc1cnc([C@H]2CCCO2)o1 257890612 573858678 /nfs/dbraw/zinc/85/86/78/573858678.db2.gz BBEWUTFCFJMQOW-IONNQARKSA-N 0 0 197.234 1.449 10 0 ADAERN Cn1cc2ccc(C=O)c(F)c2n1 259576121 573858695 /nfs/dbraw/zinc/85/86/95/573858695.db2.gz WWDOZFDVFUZRIU-UHFFFAOYSA-N 0 0 178.166 1.525 10 0 ADAERN Cc1nccc2cc(C=O)[nH]c12 109568221 573858701 /nfs/dbraw/zinc/85/87/01/573858701.db2.gz LDXKUWMZEHGLEZ-UHFFFAOYSA-N 0 0 160.176 1.684 10 0 ADAERN C[C@H]1CCNc2cccnc2N1 87261226 573858721 /nfs/dbraw/zinc/85/87/21/573858721.db2.gz XDSVRWKNJMDTJN-ZETCQYMHSA-N 0 0 163.224 1.698 10 0 ADAERN Cc1cnccc1-c1nccnc1N 85425059 573858742 /nfs/dbraw/zinc/85/87/42/573858742.db2.gz ARNDZRWEMFPFLU-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CCC1(O)CN(C/C=C/Cl)C1 84360918 573858755 /nfs/dbraw/zinc/85/87/55/573858755.db2.gz ALKHMMJQLCTMCO-ONEGZZNKSA-N 0 0 175.659 1.196 10 0 ADAERN CCOc1ccc(NC(=O)CC)cn1 87263302 573858760 /nfs/dbraw/zinc/85/87/60/573858760.db2.gz WNIRQGRQIGZYPE-UHFFFAOYSA-N 0 0 194.234 1.829 10 0 ADAERN Cc1[nH]c(NN)nc1-c1cccs1 258517256 573858798 /nfs/dbraw/zinc/85/87/98/573858798.db2.gz GSEVTYSNFQNOHT-UHFFFAOYSA-N 0 0 194.263 1.732 10 0 ADAERN CC(=O)C[C@@H](C)n1cnc(C(C)C)n1 308455667 573858821 /nfs/dbraw/zinc/85/88/21/573858821.db2.gz DBSJKNATDDHTMH-MRVPVSSYSA-N 0 0 195.266 1.942 10 0 ADAERN NOCC1(c2cc(F)ccc2F)CC1 84363019 573858837 /nfs/dbraw/zinc/85/88/37/573858837.db2.gz YGYSIKWCMGRTBW-UHFFFAOYSA-N 0 0 199.200 1.887 10 0 ADAERN C[C@@H](O)COC(=O)C1CCCC1 215020971 573858851 /nfs/dbraw/zinc/85/88/51/573858851.db2.gz ANICMFMAYAXMEI-SSDOTTSWSA-N 0 0 172.224 1.101 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1cnc(C(C)C)n1 308456466 573858884 /nfs/dbraw/zinc/85/88/84/573858884.db2.gz DEPYFFCWGZRJAS-RKDXNWHRSA-N 0 0 197.282 1.733 10 0 ADAERN CONCc1ccccc1C1(O)CC1 259576233 573858891 /nfs/dbraw/zinc/85/88/91/573858891.db2.gz WYPWNEGZWQVKSO-UHFFFAOYSA-N 0 0 193.246 1.319 10 0 ADAERN CC1=CC[C@H](C)[C@H]1O 197071678 573858896 /nfs/dbraw/zinc/85/88/96/573858896.db2.gz IRQKXYDZHRJRLF-BQBZGAKWSA-N 0 0 112.172 1.333 10 0 ADAERN CCC[S@](=O)c1ccc(N)c(N)c1 197062532 573858933 /nfs/dbraw/zinc/85/89/33/573858933.db2.gz KGNHSZWGHAXLOS-ZDUSSCGKSA-N 0 0 198.291 1.369 10 0 ADAERN C=C(NC=O)c1ccc(OC)cc1 197070962 573858939 /nfs/dbraw/zinc/85/89/39/573858939.db2.gz LKHNOINNBMRTMV-UHFFFAOYSA-N 0 0 177.203 1.412 10 0 ADAERN CC(=O)c1cc2c(s1)NCC(=O)N2 238168461 573858947 /nfs/dbraw/zinc/85/89/47/573858947.db2.gz RSMRNLROWGPIFK-UHFFFAOYSA-N 0 0 196.231 1.315 10 0 ADAERN CC1(c2noc(N)n2)CCSCC1 258157580 573858952 /nfs/dbraw/zinc/85/89/52/573858952.db2.gz SMHKMJXSLBHFER-UHFFFAOYSA-N 0 0 199.279 1.437 10 0 ADAERN CCn1c(=NN)[nH]c2ccc(C)cc21 258156433 573858960 /nfs/dbraw/zinc/85/89/60/573858960.db2.gz LOMCCAXUWBGVNY-UHFFFAOYSA-N 0 0 190.250 1.650 10 0 ADAERN CC(=O)[C@@]1(C)O[C@H]1C(C)C 238172826 573858967 /nfs/dbraw/zinc/85/89/67/573858967.db2.gz PKXUWVUOCPFWFV-JGVFFNPUSA-N 0 0 142.198 1.389 10 0 ADAERN CCn1nc(C)c2c1NC1(CC1)CN2 87261359 573859004 /nfs/dbraw/zinc/85/90/04/573859004.db2.gz NAWGWCIUSMQTQV-UHFFFAOYSA-N 0 0 192.266 1.581 10 0 ADAERN CC(C)C[C@H]1COC[C@@]12CCC(=O)O2 716263947 573859017 /nfs/dbraw/zinc/85/90/17/573859017.db2.gz ZDNHDTUDKWXIPE-ONGXEEELSA-N 0 0 198.262 1.755 10 0 ADAERN CCC1(O)CN(CC(F)(F)F)C1 84360995 573859032 /nfs/dbraw/zinc/85/90/32/573859032.db2.gz GYRMUAMPLSEWGG-UHFFFAOYSA-N 0 0 183.173 1.005 10 0 ADAERN Nc1nc2c(s1)C(F)(F)CC2 257890271 573859050 /nfs/dbraw/zinc/85/90/50/573859050.db2.gz NFWPZKOFIIABRR-UHFFFAOYSA-N 0 0 176.191 1.763 10 0 ADAERN CC(C)OCC[C@H]1CCC[C@@H]1O 43656316 573859063 /nfs/dbraw/zinc/85/90/63/573859063.db2.gz QGMWBBUCFVRWGI-ZJUUUORDSA-N 0 0 172.268 1.963 10 0 ADAERN CC(C)OCC[C@H](C)[C@@H](C)O 43658750 573859068 /nfs/dbraw/zinc/85/90/68/573859068.db2.gz BMRYGGUCTVQJCJ-DTWKUNHWSA-N 0 0 160.257 1.818 10 0 ADAERN CCCCOCCC[C@H](C)O 43656831 573859069 /nfs/dbraw/zinc/85/90/69/573859069.db2.gz LURSBVMEKAXVBO-VIFPVBQESA-N 0 0 160.257 1.964 10 0 ADAERN Cn1c(C2CCC2)ccc(N)c1=O 257890287 573859092 /nfs/dbraw/zinc/85/90/92/573859092.db2.gz NGKVMUOLYFQHNX-UHFFFAOYSA-N 0 0 178.235 1.235 10 0 ADAERN CCc1nn(C)c2c1NCC[C@@H](C)N2 87261213 573859116 /nfs/dbraw/zinc/85/91/16/573859116.db2.gz FIGWZWSPMWGNJG-SSDOTTSWSA-N 0 0 194.282 1.599 10 0 ADAERN CC(C)=C[C@@]1(C)OC[C@H](CO)O1 238167653 573859137 /nfs/dbraw/zinc/85/91/37/573859137.db2.gz NSQUNUNJEMZGBE-IUCAKERBSA-N 0 0 172.224 1.077 10 0 ADAERN CC(C)[C@@H]1[NH2+]CCCC[C@@H]1C(=O)[O-] 238167637 573859152 /nfs/dbraw/zinc/85/91/52/573859152.db2.gz UTMPJIJNYRJXCO-IUCAKERBSA-N 0 0 185.267 1.485 10 0 ADAERN C[C@@H](O)Cc1cc2c(cc1O)COC2 258155624 573859164 /nfs/dbraw/zinc/85/91/64/573859164.db2.gz URMHFSQLHXWNQM-SSDOTTSWSA-N 0 0 194.230 1.346 10 0 ADAERN c1cnc2c(c1)NC[C@@]1(CCOC1)N2 87262658 573859167 /nfs/dbraw/zinc/85/91/67/573859167.db2.gz CPZKLOCYNQRFCK-SNVBAGLBSA-N 0 0 191.234 1.078 10 0 ADAERN Cc1nnc2cc(Cl)c(N)cc2n1 238547996 573859185 /nfs/dbraw/zinc/85/91/85/573859185.db2.gz APLNHMMKCOSHTH-UHFFFAOYSA-N 0 0 194.625 1.569 10 0 ADAERN CC[C@@H](CCCOC)[C@H](C)O 43656848 573859199 /nfs/dbraw/zinc/85/91/99/573859199.db2.gz JTFZRERDGBXIKF-IUCAKERBSA-N 0 0 160.257 1.820 10 0 ADAERN C[C@]1(O)CNc2ccc(F)cc2C1 257890268 573859208 /nfs/dbraw/zinc/85/92/08/573859208.db2.gz NFSASPXLAIZQHD-SNVBAGLBSA-N 0 0 181.210 1.545 10 0 ADAERN NOCc1c[nH]c2cccc(F)c12 258163561 573859214 /nfs/dbraw/zinc/85/92/14/573859214.db2.gz LVUCTOVRTLJFFJ-UHFFFAOYSA-N 0 0 180.182 1.697 10 0 ADAERN CCn1nc(C)c2c1N(C)[C@@H](C)CN2 87261745 573859219 /nfs/dbraw/zinc/85/92/19/573859219.db2.gz VGJTUZPRSXGWHE-ZETCQYMHSA-N 0 0 194.282 1.462 10 0 ADAERN Cc1nn(C)c2c1NC[C@H](C)CN2 87261512 573859250 /nfs/dbraw/zinc/85/92/50/573859250.db2.gz UFDAGNGMNAOYHH-LURJTMIESA-N 0 0 180.255 1.202 10 0 ADAERN COc1ncnc2c1NCC[C@H](C)N2 87261232 573861610 /nfs/dbraw/zinc/86/16/10/573861610.db2.gz QNGDXAOHDACZNM-LURJTMIESA-N 0 0 194.238 1.101 10 0 ADAERN C[C@@H]1CC[C@](O)(C2CC2)C1 84375292 573861615 /nfs/dbraw/zinc/86/16/15/573861615.db2.gz SBNJDEGHBXXLJC-VXNVDRBHSA-N 0 0 140.226 1.948 10 0 ADAERN Cc1c(C(F)F)cc(CO)[nH]c1=O 238546227 573861636 /nfs/dbraw/zinc/86/16/36/573861636.db2.gz NZPGWRVEGJCKIG-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(=O)[C@@H]1COC[C@H]1C(C)(C)C 238167785 573861679 /nfs/dbraw/zinc/86/16/79/573861679.db2.gz PTKNWTXILDJNES-DTWKUNHWSA-N 0 0 170.252 1.884 10 0 ADAERN CC[C@@H](OC)C(=O)O[C@@H]1C=CCC1 308457660 573861680 /nfs/dbraw/zinc/86/16/80/573861680.db2.gz GKWIDARTWONJJB-RKDXNWHRSA-N 0 0 184.235 1.673 10 0 ADAERN C/C=C/CN1CC(O)(C2CC2)C1 84377244 573861687 /nfs/dbraw/zinc/86/16/87/573861687.db2.gz GLMZUGPPTGLBPM-NSCUHMNNSA-N 0 0 167.252 1.019 10 0 ADAERN C[C@H]1CC[C@@](O)(C2CC2)C1 84375295 573861704 /nfs/dbraw/zinc/86/17/04/573861704.db2.gz SBNJDEGHBXXLJC-CBAPKCEASA-N 0 0 140.226 1.948 10 0 ADAERN CC(C)=C[C@]1(O)CCCC1=O 238172750 573861706 /nfs/dbraw/zinc/86/17/06/573861706.db2.gz OOSCJBLMWNXBSB-SECBINFHSA-N 0 0 154.209 1.437 10 0 ADAERN CC(=O)[C@@H]1CSCC[C@]1(C)O 238167959 573861712 /nfs/dbraw/zinc/86/17/12/573861712.db2.gz ZGBLOLRGALMFIP-YUMQZZPRSA-N 0 0 174.265 1.080 10 0 ADAERN Cc1nc(N)c(N)cc1OC1CCC1 238547906 573861717 /nfs/dbraw/zinc/86/17/17/573861717.db2.gz UFRRIMFDMAVWNR-UHFFFAOYSA-N 0 0 193.250 1.486 10 0 ADAERN Cc1ccsc1[C@H](N)N(C)C 259216248 573861728 /nfs/dbraw/zinc/86/17/28/573861728.db2.gz AJHBDROXQYGTCO-MRVPVSSYSA-N 0 0 170.281 1.575 10 0 ADAERN Fc1ccn2cncc2c1F 238546567 573861729 /nfs/dbraw/zinc/86/17/29/573861729.db2.gz ZONANTQKLCVVTN-UHFFFAOYSA-N 0 0 154.119 1.613 10 0 ADAERN CNCC(F)(F)[C@H]1CCCOC1 257891197 573861756 /nfs/dbraw/zinc/86/17/56/573861756.db2.gz NLQXTNHRKFICPW-ZETCQYMHSA-N 0 0 179.210 1.268 10 0 ADAERN CCCOCC[C@H](NN)C(C)C 126788515 573861760 /nfs/dbraw/zinc/86/17/60/573861760.db2.gz VAKGHXWRDMDWBJ-VIFPVBQESA-N 0 0 174.288 1.291 10 0 ADAERN C[C@H]1Cc2ccc(O)cc2OC1=O 153802067 573861793 /nfs/dbraw/zinc/86/17/93/573861793.db2.gz PIOJZOLSPWPUKP-LURJTMIESA-N 0 0 178.187 1.490 10 0 ADAERN NOCc1cccc([C@@H]2CCOC2)c1 258165672 573861799 /nfs/dbraw/zinc/86/17/99/573861799.db2.gz VJMWHNZLSNJYNP-LLVKDONJSA-N 0 0 193.246 1.581 10 0 ADAERN CC[C@](O)(COC)C(C)(C)C 84375281 573861804 /nfs/dbraw/zinc/86/18/04/573861804.db2.gz MQEDKYVFAJZNCZ-VIFPVBQESA-N 0 0 160.257 1.820 10 0 ADAERN Cc1ccnc(-c2ccnc(N)n2)c1 238547099 573861807 /nfs/dbraw/zinc/86/18/07/573861807.db2.gz ONPUKVIKLOACFS-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN OC1(C2CC2)CN(Cc2ccco2)C1 84377248 573861810 /nfs/dbraw/zinc/86/18/10/573861810.db2.gz ZRWGSUYSEKDLHG-UHFFFAOYSA-N 0 0 193.246 1.236 10 0 ADAERN Cc1c(CO)c(C(F)F)c[nH]c1=O 238547003 573861815 /nfs/dbraw/zinc/86/18/15/573861815.db2.gz VPHFLRWCYZYBRM-UHFFFAOYSA-N 0 0 189.161 1.526 10 0 ADAERN CC(=O)c1nc(CC(C)C)c[nH]1 238169431 573861824 /nfs/dbraw/zinc/86/18/24/573861824.db2.gz OZWWGPRLNJQIBI-UHFFFAOYSA-N 0 0 166.224 1.811 10 0 ADAERN CC/C=C(\C)C(=O)NCc1cc[nH]c1 308457339 573861838 /nfs/dbraw/zinc/86/18/38/573861838.db2.gz YGBOXFWNHVNEOY-RUDMXATFSA-N 0 0 192.262 1.987 10 0 ADAERN Cc1ccc(C(=O)C(N)=S)cc1 238548102 573861843 /nfs/dbraw/zinc/86/18/43/573861843.db2.gz KSQTWKPJSUMLKB-UHFFFAOYSA-N 0 0 179.244 1.464 10 0 ADAERN CC(C)(C)[C@]1(O)CCCOCC1 84375392 573861846 /nfs/dbraw/zinc/86/18/46/573861846.db2.gz ASHXPNPYLYMPDZ-JTQLQIEISA-N 0 0 172.268 1.964 10 0 ADAERN CO[C@@H]1C[C@@H]1[C@@H](O)CCC1CCC1 689996172 573861849 /nfs/dbraw/zinc/86/18/49/573861849.db2.gz WVMWPXYSLHHMKZ-OUAUKWLOSA-N 0 0 184.279 1.963 10 0 ADAERN CNC(=O)Nc1cc(OC)ccc1N 125302349 573861854 /nfs/dbraw/zinc/86/18/54/573861854.db2.gz MRVDGYJRFWSXIH-UHFFFAOYSA-N 0 0 195.222 1.029 10 0 ADAERN CCc1nc2c(s1)CNC2 84328747 573861858 /nfs/dbraw/zinc/86/18/58/573861858.db2.gz HGNUYZMVIWTWQV-UHFFFAOYSA-N 0 0 154.238 1.309 10 0 ADAERN Nc1onc2c1CCCCC2 76500232 573861911 /nfs/dbraw/zinc/86/19/11/573861911.db2.gz JXCMPYHVCAWBBD-UHFFFAOYSA-N 0 0 152.197 1.526 10 0 ADAERN c1ccn2c(C3CCC3)nnc2c1 257890674 573861930 /nfs/dbraw/zinc/86/19/30/573861930.db2.gz DOMZIEGXRKNFRB-UHFFFAOYSA-N 0 0 173.219 1.997 10 0 ADAERN O=C1CCCNN1Cc1ccccc1 257890717 573861935 /nfs/dbraw/zinc/86/19/35/573861935.db2.gz XAKBDHDWLMMYIQ-UHFFFAOYSA-N 0 0 190.246 1.314 10 0 ADAERN NC(=O)[C@H]1[C@H]2c3ccccc3C=C[C@H]21 238546738 573861944 /nfs/dbraw/zinc/86/19/44/573861944.db2.gz IYAPBRONKBKXIT-OUAUKWLOSA-N 0 0 185.226 1.528 10 0 ADAERN CC(C)[C@H]1C[C@@](O)(C2CC2)CCO1 84375239 573861954 /nfs/dbraw/zinc/86/19/54/573861954.db2.gz WNXIZUOJQKUIQQ-GHMZBOCLSA-N 0 0 184.279 1.963 10 0 ADAERN Cc1nnc(-c2sccc2N)o1 238547586 573861981 /nfs/dbraw/zinc/86/19/81/573861981.db2.gz CAQFYBJWVHYJDA-UHFFFAOYSA-N 0 0 181.220 1.689 10 0 ADAERN C/C=C\C(=O)Nn1cccc1 211739034 573861982 /nfs/dbraw/zinc/86/19/82/573861982.db2.gz XGBWSPLNOOAGCE-DJWKRKHSSA-N 0 0 150.181 1.134 10 0 ADAERN CCC[C@H](C(=O)[O-])[N@@H+]1CCC2(CC2)C1 400196688 573862015 /nfs/dbraw/zinc/86/20/15/573862015.db2.gz DVOXSYXCPCOBJW-SECBINFHSA-N 0 0 197.278 1.726 10 0 ADAERN CC[C@@H](O)c1cc(C(=O)OC)c(C)o1 308457304 573862017 /nfs/dbraw/zinc/86/20/17/573862017.db2.gz YBSQDCCSUTVBAM-MRVPVSSYSA-N 0 0 198.218 1.818 10 0 ADAERN c1nsnc1NC[C@H]1CCCO1 76500902 573862057 /nfs/dbraw/zinc/86/20/57/573862057.db2.gz PJTFPPFUPCLCOQ-ZCFIWIBFSA-N 0 0 185.252 1.129 10 0 ADAERN C[C@@H](F)c1cc(CCON)ccc1O 258165566 573862086 /nfs/dbraw/zinc/86/20/86/573862086.db2.gz PRXRSGPDHKTYKG-SSDOTTSWSA-N 0 0 199.225 1.856 10 0 ADAERN Cc1nc(N)c(N)cc1C(F)F 238547780 573862118 /nfs/dbraw/zinc/86/21/18/573862118.db2.gz UZPSKUWZINSGFX-UHFFFAOYSA-N 0 0 173.166 1.492 10 0 ADAERN COc1cc(C2(O)CC2)cc(C)c1O 258165640 573862153 /nfs/dbraw/zinc/86/21/53/573862153.db2.gz VIWOLEPYTLYJHU-UHFFFAOYSA-N 0 0 194.230 1.691 10 0 ADAERN CC(C)(C)C1(O)CCC(=O)CC1 84375458 573862172 /nfs/dbraw/zinc/86/21/72/573862172.db2.gz GBEHRPLXRMMNHV-UHFFFAOYSA-N 0 0 170.252 1.907 10 0 ADAERN C[C@H]1c2cccc(O)c2CC[C@H]1O 259214693 573862174 /nfs/dbraw/zinc/86/21/74/573862174.db2.gz JPUPZWIMQPHPDH-OIBJUYFYSA-N 0 0 178.231 1.803 10 0 ADAERN NC(=O)COC1CCCCCCC1 238546913 573862176 /nfs/dbraw/zinc/86/21/76/573862176.db2.gz TVMPXFOPZDZXIO-UHFFFAOYSA-N 0 0 185.267 1.601 10 0 ADAERN C=C[C@H](C)[NH+]1CC([C@H](C)C(=O)[O-])C1 130128425 573862178 /nfs/dbraw/zinc/86/21/78/573862178.db2.gz QOKROUWXNGVNHS-YUMQZZPRSA-N 0 0 183.251 1.213 10 0 ADAERN CCc1ccc(C2(O)COC2)cc1 84333984 573862195 /nfs/dbraw/zinc/86/21/95/573862195.db2.gz GLMONWIEEVHGEF-UHFFFAOYSA-N 0 0 178.231 1.467 10 0 ADAERN CC[C@@H]1C[C@](O)(C2CC2)CCO1 84375220 573862226 /nfs/dbraw/zinc/86/22/26/573862226.db2.gz AVIZTCCBWQTKGS-ZJUUUORDSA-N 0 0 170.252 1.717 10 0 ADAERN Cc1ccc(C(=O)C(C)(C)O)c(O)c1 238547947 573862257 /nfs/dbraw/zinc/86/22/57/573862257.db2.gz DUYJVTNPUNGIMJ-UHFFFAOYSA-N 0 0 194.230 1.654 10 0 ADAERN Cc1cncn1C(F)F 238546484 573862294 /nfs/dbraw/zinc/86/22/94/573862294.db2.gz JCLLBZBRRUWTJD-UHFFFAOYSA-N 0 0 132.113 1.587 10 0 ADAERN C[C@@H](CO)c1c(F)cccc1N(C)C 258165718 573862296 /nfs/dbraw/zinc/86/22/96/573862296.db2.gz VJYLDDFHYZSNBQ-QMMMGPOBSA-N 0 0 197.253 1.988 10 0 ADAERN CC(C)C[C@@H]1COC[C@@H]1[C@@H](C)O 716278201 573862308 /nfs/dbraw/zinc/86/23/08/573862308.db2.gz IHDZRPZGBNBRDD-OPRDCNLKSA-N 0 0 172.268 1.676 10 0 ADAERN CC[C@](O)(COC)C1CC1 84375283 573862339 /nfs/dbraw/zinc/86/23/39/573862339.db2.gz NOELTANZDHBEGT-QMMMGPOBSA-N 0 0 144.214 1.184 10 0 ADAERN CCc1nn(C)c2c1NCCN2CC 87261750 573861593 /nfs/dbraw/zinc/86/15/93/573861593.db2.gz OPVCLVXCAWCOMJ-UHFFFAOYSA-N 0 0 194.282 1.234 10 0 ADAERN c1cncc(Nc2cnns2)c1 238540882 573864921 /nfs/dbraw/zinc/86/49/21/573864921.db2.gz KIDCUMMHNNXSPC-UHFFFAOYSA-N 0 0 178.220 1.677 10 0 ADAERN C[C@@H](O)CC[C@@H](O)C1CCCC1 127381765 573864926 /nfs/dbraw/zinc/86/49/26/573864926.db2.gz GNVVFBMOKIWRJX-PSASIEDQSA-N 0 0 172.268 1.699 10 0 ADAERN Cc1cscc1-c1nccc(=O)[nH]1 87287837 573864948 /nfs/dbraw/zinc/86/49/48/573864948.db2.gz DBZAELPNZSJSHO-UHFFFAOYSA-N 0 0 192.243 1.807 10 0 ADAERN OCCC(F)(F)c1ccccn1 258975744 573864953 /nfs/dbraw/zinc/86/49/53/573864953.db2.gz ITDFDPWIBJCTGI-UHFFFAOYSA-N 0 0 173.162 1.556 10 0 ADAERN CC(C)[C@@H]1OC(=S)O[C@H]1C 238170686 573864959 /nfs/dbraw/zinc/86/49/59/573864959.db2.gz RBCXDSLVQIFQDQ-WDSKDSINSA-N 0 0 160.238 1.731 10 0 ADAERN COc1ccc(F)c(NC=O)c1 87287301 573864970 /nfs/dbraw/zinc/86/49/70/573864970.db2.gz ULFCAZVXINLGKC-UHFFFAOYSA-N 0 0 169.155 1.403 10 0 ADAERN Cc1nccn(CCCCCF)c1=O 308457859 573864971 /nfs/dbraw/zinc/86/49/71/573864971.db2.gz DNUXIKDHZNQCBX-UHFFFAOYSA-N 0 0 198.241 1.692 10 0 ADAERN CC(C)[C@@H]1OC(=O)C=C([O-])[C@H]1C 238170020 573864980 /nfs/dbraw/zinc/86/49/80/573864980.db2.gz PWEYSYNYQWNPLW-MUWHJKNJSA-N 0 0 170.208 1.163 10 0 ADAERN CC(C)C[C@]1(C(=O)[O-])C=CC[NH2+]1 238170533 573864997 /nfs/dbraw/zinc/86/49/97/573864997.db2.gz YHXVCVBKOONWKX-VIFPVBQESA-N 0 0 169.224 1.015 10 0 ADAERN CC[C@H](NCc1cc[nH]c1)C(=O)OC 308457525 573865003 /nfs/dbraw/zinc/86/50/03/573865003.db2.gz FHIUGQNQDOYQPD-VIFPVBQESA-N 0 0 196.250 1.056 10 0 ADAERN CC(C)(C)OC(=O)N1CC(=O)[C@@H]2C[C@@H]21 238171395 573865005 /nfs/dbraw/zinc/86/50/05/573865005.db2.gz DPBUFAQYADWYEG-RQJHMYQMSA-N 0 0 197.234 1.195 10 0 ADAERN CC(C)OC(=O)C1=C[C@H](O)CCC1 238171332 573865011 /nfs/dbraw/zinc/86/50/11/573865011.db2.gz OLNZPZCOOLPZRU-SECBINFHSA-N 0 0 184.235 1.409 10 0 ADAERN Cc1ccc(C(=O)CCC(=O)CO)o1 238548875 573865016 /nfs/dbraw/zinc/86/50/16/573865016.db2.gz MXSOUGRDABEQLZ-UHFFFAOYSA-N 0 0 196.202 1.112 10 0 ADAERN CC1(C)C=CC(C)(C)[C@H](O)NC1=O 238172056 573865018 /nfs/dbraw/zinc/86/50/18/573865018.db2.gz LVTOKQRGKBXEFU-ZETCQYMHSA-N 0 0 183.251 1.043 10 0 ADAERN CC(C)C[C@@]1(C)NC(=O)NC1=S 238170800 573865036 /nfs/dbraw/zinc/86/50/36/573865036.db2.gz PJYSDJREBBLMOI-MRVPVSSYSA-N 0 0 186.280 1.431 10 0 ADAERN CC(C)=C[C@H]1C[C@H]1CO 238170653 573865043 /nfs/dbraw/zinc/86/50/43/573865043.db2.gz NCQVFTGQCZGIGL-YUMQZZPRSA-N 0 0 126.199 1.581 10 0 ADAERN c1cncc(Nc2cnccn2)c1 238540848 573865053 /nfs/dbraw/zinc/86/50/53/573865053.db2.gz LTMAYHWGGMYNMW-UHFFFAOYSA-N 0 0 172.191 1.615 10 0 ADAERN Cc1nc(F)ccc1[C@H]1CNC(=O)C1 238540274 573865056 /nfs/dbraw/zinc/86/50/56/573865056.db2.gz UJOKCEFLKNOWAQ-SSDOTTSWSA-N 0 0 194.209 1.133 10 0 ADAERN C[C@@H](C[C@H]([NH3+])c1ccccn1)C(=O)[O-] 259215849 573865057 /nfs/dbraw/zinc/86/50/57/573865057.db2.gz GQLVDYDBQXZGCG-YUMQZZPRSA-N 0 0 194.234 1.192 10 0 ADAERN COc1ccc2[nH]ccc2c1CON 258165668 573865069 /nfs/dbraw/zinc/86/50/69/573865069.db2.gz VJMFXOQBEXLQKS-UHFFFAOYSA-N 0 0 192.218 1.567 10 0 ADAERN CC(=O)OCc1cc(C)cc(O)c1 238170775 573865070 /nfs/dbraw/zinc/86/50/70/573865070.db2.gz KSSZKSCYDBHHTE-UHFFFAOYSA-N 0 0 180.203 1.764 10 0 ADAERN CN1CCCC[C@H]1c1oncc1C=O 258439554 573865095 /nfs/dbraw/zinc/86/50/95/573865095.db2.gz GHTOGESBTPORFU-VIFPVBQESA-N 0 0 194.234 1.644 10 0 ADAERN N/C(=C\c1cnccn1)c1ccncc1 215113595 573865146 /nfs/dbraw/zinc/86/51/46/573865146.db2.gz TUHGEIAAAKWDLQ-XFFZJAGNSA-N 0 0 198.229 1.328 10 0 ADAERN CN1CCCC[C@@H]1c1oncc1C=O 258439551 573865157 /nfs/dbraw/zinc/86/51/57/573865157.db2.gz GHTOGESBTPORFU-SECBINFHSA-N 0 0 194.234 1.644 10 0 ADAERN CC(C)OC(=O)C=C1CCC(O)CC1 238171408 573865159 /nfs/dbraw/zinc/86/51/59/573865159.db2.gz NFNIDTCNMRMAGV-UHFFFAOYSA-N 0 0 198.262 1.799 10 0 ADAERN O=C1CN[C@H](c2ccccc2F)C1 258975330 573865160 /nfs/dbraw/zinc/86/51/60/573865160.db2.gz UXWLUXAYXDGDCZ-JTQLQIEISA-N 0 0 179.194 1.429 10 0 ADAERN C[C@H](O)CC[C@H](O)C1CCCC1 127381093 573865177 /nfs/dbraw/zinc/86/51/77/573865177.db2.gz GNVVFBMOKIWRJX-WPRPVWTQSA-N 0 0 172.268 1.699 10 0 ADAERN Cc1ccc2c(c1)O[C@H](CON)C2 258164468 573865186 /nfs/dbraw/zinc/86/51/86/573865186.db2.gz RTARYDUCEYUOBI-VIFPVBQESA-N 0 0 179.219 1.189 10 0 ADAERN C[C@@H](O)CC[C@H](O)C1CCCC1 127381321 573865189 /nfs/dbraw/zinc/86/51/89/573865189.db2.gz GNVVFBMOKIWRJX-SCZZXKLOSA-N 0 0 172.268 1.699 10 0 ADAERN CN1CCCC[C@H]1c1cc(C[NH3+])[nH]n1 259215532 573865205 /nfs/dbraw/zinc/86/52/05/573865205.db2.gz LLMNCSKVWQIXTI-JTQLQIEISA-N 0 0 194.282 1.025 10 0 ADAERN Cc1ccc2c(c1)[C@H]1CC(=O)N[C@H]1C2 238548352 573865248 /nfs/dbraw/zinc/86/52/48/573865248.db2.gz SYNCSWWFCALLAO-MNOVXSKESA-N 0 0 187.242 1.523 10 0 ADAERN O=CNCC1CCCCCC1 101438491 573865260 /nfs/dbraw/zinc/86/52/60/573865260.db2.gz QHPFHNAOKVPUTC-UHFFFAOYSA-N 0 0 155.241 1.703 10 0 ADAERN C[C@]12CCC(=O)N1CCc1cc[nH]c12 238540680 573865263 /nfs/dbraw/zinc/86/52/63/573865263.db2.gz ULBBYKSKKCZZKS-LLVKDONJSA-N 0 0 190.246 1.408 10 0 ADAERN Cn1nc(N)c2c1CCCCC2 76500237 573865270 /nfs/dbraw/zinc/86/52/70/573865270.db2.gz KRTJQRRJYJSQIW-UHFFFAOYSA-N 0 0 165.240 1.271 10 0 ADAERN O=C1NCc2cc(Cl)c(F)cc21 238540375 573865271 /nfs/dbraw/zinc/86/52/71/573865271.db2.gz QMNNNBALKQKBDR-UHFFFAOYSA-N 0 0 185.585 1.723 10 0 ADAERN Cc1ccn2cnnc2c1Cl 238540494 573865302 /nfs/dbraw/zinc/86/53/02/573865302.db2.gz YMLRTEWNNSQEKE-UHFFFAOYSA-N 0 0 167.599 1.691 10 0 ADAERN Cc1cc(C(=O)c2ccc[nH]2)no1 238540479 573865337 /nfs/dbraw/zinc/86/53/37/573865337.db2.gz HTOIFCUZSZRVEO-UHFFFAOYSA-N 0 0 176.175 1.542 10 0 ADAERN Cc1cc(C)cc(CCNC=O)c1 238548450 573865342 /nfs/dbraw/zinc/86/53/42/573865342.db2.gz GMDMAEOPWOWFRT-UHFFFAOYSA-N 0 0 177.247 1.592 10 0 ADAERN Cn1cc(C2(O)CCSCC2)cn1 84362075 573865367 /nfs/dbraw/zinc/86/53/67/573865367.db2.gz MRFFKVZLIBXYGG-UHFFFAOYSA-N 0 0 198.291 1.135 10 0 ADAERN C1CCN2OCC[C@@H]2C1 212046819 573865370 /nfs/dbraw/zinc/86/53/70/573865370.db2.gz VLQNIPJTTOFPPT-ZETCQYMHSA-N 0 0 127.187 1.176 10 0 ADAERN CC(C)=C[C@H]1[C@@H](NC(N)=O)C1(C)C 238171401 573865378 /nfs/dbraw/zinc/86/53/78/573865378.db2.gz YBBQRQUBSHSETP-JGVFFNPUSA-N 0 0 182.267 1.646 10 0 ADAERN CC(=O)C[C@@H](C)n1cnc(C2CC2)n1 308457910 573865388 /nfs/dbraw/zinc/86/53/88/573865388.db2.gz DPVIIKZLQLGSPA-SSDOTTSWSA-N 0 0 193.250 1.696 10 0 ADAERN Cn1ccc(C(C)(C)O)c1 238549279 573865404 /nfs/dbraw/zinc/86/54/04/573865404.db2.gz IGYOKSQGOVJZAP-UHFFFAOYSA-N 0 0 139.198 1.253 10 0 ADAERN C[C@H](F)Cc1cccc(CON)c1 258165729 573865407 /nfs/dbraw/zinc/86/54/07/573865407.db2.gz VJYOYHGVYYNOBX-QMMMGPOBSA-N 0 0 183.226 1.977 10 0 ADAERN OCc1cc(C[C@H]2CCCCO2)n[nH]1 258439691 573865423 /nfs/dbraw/zinc/86/54/23/573865423.db2.gz GKCOHXDJWNJGDC-SNVBAGLBSA-N 0 0 196.250 1.014 10 0 ADAERN CC1(C)OCC[C@]2(C)C[C@@H](O)[C@H]12 238171807 573865432 /nfs/dbraw/zinc/86/54/32/573865432.db2.gz LXKQWLPEYMAXQP-NQMVMOMDSA-N 0 0 170.252 1.572 10 0 ADAERN CC(C)=C[C@H]1NC(=O)C1(C)C 238170728 573865437 /nfs/dbraw/zinc/86/54/37/573865437.db2.gz LAHMUEZQWXZYHS-SSDOTTSWSA-N 0 0 153.225 1.477 10 0 ADAERN CC(=O)[C@@H]1C[C@H](CNC#N)C1(C)C 238170122 573865446 /nfs/dbraw/zinc/86/54/46/573865446.db2.gz FKLCEWMAYJGWQJ-BDAKNGLRSA-N 0 0 180.251 1.308 10 0 ADAERN CNc1nc(Cc2ccco2)co1 258519053 573865458 /nfs/dbraw/zinc/86/54/58/573865458.db2.gz GCLVPYPVXKCCGF-UHFFFAOYSA-N 0 0 178.191 1.900 10 0 ADAERN CC1(CCC/C=C/CO)OCCO1 238171890 573865471 /nfs/dbraw/zinc/86/54/71/573865471.db2.gz LUGBHDRIARDWOE-HWKANZROSA-N 0 0 186.251 1.468 10 0 ADAERN COC(=O)C(F)(F)C[C@H]1CCOC1 257890637 573865479 /nfs/dbraw/zinc/86/54/79/573865479.db2.gz WYPAHPHEHNEYRR-ZCFIWIBFSA-N 0 0 194.177 1.221 10 0 ADAERN CC(C)[C@@H]1OCC2=NOC[C@@H]21 238171054 573865490 /nfs/dbraw/zinc/86/54/90/573865490.db2.gz NEJTZOPGXSOVTP-XPUUQOCRSA-N 0 0 155.197 1.044 10 0 ADAERN Cc1cn(C[C@H]2CCCCC2=O)cn1 238549013 573865492 /nfs/dbraw/zinc/86/54/92/573865492.db2.gz IQUFLNJLVDHETI-SNVBAGLBSA-N 0 0 192.262 1.951 10 0 ADAERN C[C@@]1(c2ccc(F)cc2)CCC(=O)N1 257890796 573865504 /nfs/dbraw/zinc/86/55/04/573865504.db2.gz XBNHLQUJTVOYHU-NSHDSACASA-N 0 0 193.221 1.951 10 0 ADAERN CCC(CC)[C@@H](C)N1CNCC1=O 125315660 573865518 /nfs/dbraw/zinc/86/55/18/573865518.db2.gz RNHXYIVIGOLANK-MRVPVSSYSA-N 0 0 184.283 1.200 10 0 ADAERN Cc1c(O)ccc2[nH]cnc12 238540797 573865549 /nfs/dbraw/zinc/86/55/49/573865549.db2.gz HJXHUPDINDDFLL-UHFFFAOYSA-N 0 0 148.165 1.577 10 0 ADAERN Cc1nc2c(c3c1COC3)COC2 238540538 573865575 /nfs/dbraw/zinc/86/55/75/573865575.db2.gz KTCGJIGEHWULJF-UHFFFAOYSA-N 0 0 177.203 1.450 10 0 ADAERN CC[C@@H]1C[C@@H]1C(=O)N(C)C[C@H](C)CO 688742737 573865577 /nfs/dbraw/zinc/86/55/77/573865577.db2.gz DZAYRBMMIKOQLY-AEJSXWLSSA-N 0 0 199.294 1.119 10 0 ADAERN COC(=O)[C@H](O)CC1=CCCCC1 101440113 573865591 /nfs/dbraw/zinc/86/55/91/573865591.db2.gz AOVDZRLGGBHXNL-SECBINFHSA-N 0 0 184.235 1.411 10 0 ADAERN CC(=O)[C@@H]1C[C@H]1C(F)(F)F 238170324 573865595 /nfs/dbraw/zinc/86/55/95/573865595.db2.gz HLRSCLZOPAQXLQ-CRCLSJGQSA-N 0 0 152.115 1.774 10 0 ADAERN CC(C)(CO)Sc1ccc[nH]1 258976810 573865610 /nfs/dbraw/zinc/86/56/10/573865610.db2.gz DOGDMASVFPAFGG-UHFFFAOYSA-N 0 0 171.265 1.878 10 0 ADAERN Cc1cc(CC2(O)CC2)c(F)cc1O 258165633 573865632 /nfs/dbraw/zinc/86/56/32/573865632.db2.gz VITZPNDCENFCQK-UHFFFAOYSA-N 0 0 196.221 1.907 10 0 ADAERN CCCCCNOCC 79619614 573865645 /nfs/dbraw/zinc/86/56/45/573865645.db2.gz VZKCHUGRLVWVRR-UHFFFAOYSA-N 0 0 131.219 1.718 10 0 ADAERN CC(C)(C)Oc1cn[nH]c1 258439474 573865646 /nfs/dbraw/zinc/86/56/46/573865646.db2.gz JTZHDSBMPRAJSF-UHFFFAOYSA-N 0 0 140.186 1.587 10 0 ADAERN C[C@]12CC=C[C@@H]1C(=O)C2 101363974 573865648 /nfs/dbraw/zinc/86/56/48/573865648.db2.gz CYOMRPYSWQQNMU-HTRCEHHLSA-N 0 0 122.167 1.542 10 0 ADAERN Cc1cncc(C(N)=O)c1C(F)F 238540386 573865650 /nfs/dbraw/zinc/86/56/50/573865650.db2.gz WJRWEMFATGTKNK-UHFFFAOYSA-N 0 0 186.161 1.427 10 0 ADAERN COC[C@@H](O)c1cscc1C 87288069 573865653 /nfs/dbraw/zinc/86/56/53/573865653.db2.gz DZWUBXQVNJVGDJ-MRVPVSSYSA-N 0 0 172.249 1.736 10 0 ADAERN Cc1ccc([C@H]2CC[NH2+]2)cc1C(=O)[O-] 238540276 573865659 /nfs/dbraw/zinc/86/56/59/573865659.db2.gz WORDLXSLYHHQEC-SNVBAGLBSA-N 0 0 191.230 1.728 10 0 ADAERN CC(C)C(=O)CCCCO 79703059 573865661 /nfs/dbraw/zinc/86/56/61/573865661.db2.gz FQMKBBCIJWNDSU-UHFFFAOYSA-N 0 0 144.214 1.374 10 0 ADAERN CCc1ccccc1C(=O)CN(C)C 308457934 573865663 /nfs/dbraw/zinc/86/56/63/573865663.db2.gz DQUJYUMCXMOFKF-UHFFFAOYSA-N 0 0 191.274 1.993 10 0 ADAERN CC(=O)OCc1cc(C)co1 238170900 573865672 /nfs/dbraw/zinc/86/56/72/573865672.db2.gz DRAZXPOYYDZWQD-UHFFFAOYSA-N 0 0 154.165 1.651 10 0 ADAERN Nc1cnoc1[C@H]1CCCO1 258440825 573865738 /nfs/dbraw/zinc/86/57/38/573865738.db2.gz FAEOQYBWDQPIQV-ZCFIWIBFSA-N 0 0 154.169 1.108 10 0 ADAERN CC1(C)C=CC(C)(C)[C@@H](O)NC1=O 238172033 573865740 /nfs/dbraw/zinc/86/57/40/573865740.db2.gz LVTOKQRGKBXEFU-SSDOTTSWSA-N 0 0 183.251 1.043 10 0 ADAERN C[C@@H]1[C@@H](O)CCC(C)(C)[C@H]1CO 256275989 573865744 /nfs/dbraw/zinc/86/57/44/573865744.db2.gz HBPPCESXPLWVER-CIUDSAMLSA-N 0 0 172.268 1.412 10 0 ADAERN OC/C=C/Cc1cccc(F)c1 258438880 573865745 /nfs/dbraw/zinc/86/57/45/573865745.db2.gz DWHUJZOSIXFOBA-OWOJBTEDSA-N 0 0 166.195 1.917 10 0 ADAERN C[C@@H]1c2cccc(O)c2CC[C@@H]1O 259214716 573866535 /nfs/dbraw/zinc/86/65/35/573866535.db2.gz JPUPZWIMQPHPDH-XCBNKYQSSA-N 0 0 178.231 1.803 10 0 ADAERN CC(C)Cc1cc(N)nc(Cl)n1 238171160 573865756 /nfs/dbraw/zinc/86/57/56/573865756.db2.gz FKMNLFLQWAVNCA-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN CC(C)[C@@H]1OC[C@H](O)[C@@H]1C 238171760 573865786 /nfs/dbraw/zinc/86/57/86/573865786.db2.gz NKGZULQEZZNFNO-FXQIFTODSA-N 0 0 144.214 1.038 10 0 ADAERN COc1ccc(F)c2nccc(N)c12 87287218 573865803 /nfs/dbraw/zinc/86/58/03/573865803.db2.gz KBKYRKVJDNMISK-UHFFFAOYSA-N 0 0 192.193 1.965 10 0 ADAERN C/C=C\[C@@H]([NH3+])C(C)(C)C(=O)[O-] 215085811 573865821 /nfs/dbraw/zinc/86/58/21/573865821.db2.gz MHNXJTQQXZWWTA-WWVFMHICSA-N 0 0 157.213 1.001 10 0 ADAERN CC1(C)OCC=C(CCO)O1 238170886 573865829 /nfs/dbraw/zinc/86/58/29/573865829.db2.gz RJKSNBLRGSWRPI-UHFFFAOYSA-N 0 0 158.197 1.036 10 0 ADAERN C[C@]12CCC(=O)N1CCc1c[nH]cc12 238540656 573865834 /nfs/dbraw/zinc/86/58/34/573865834.db2.gz ZLUZZHDQOXJVHF-LLVKDONJSA-N 0 0 190.246 1.408 10 0 ADAERN CC1(C)OCC[C@]2(C)C[C@H](O)[C@H]12 238171822 573865836 /nfs/dbraw/zinc/86/58/36/573865836.db2.gz LXKQWLPEYMAXQP-QXFUBDJGSA-N 0 0 170.252 1.572 10 0 ADAERN CC(C)[C@@H]1OCCC[C@@H](CO)O1 238171124 573865860 /nfs/dbraw/zinc/86/58/60/573865860.db2.gz GRWQLPNKBCVYGO-DTWKUNHWSA-N 0 0 174.240 1.156 10 0 ADAERN Cc1c(O)ccc2c1CC(=O)O2 238540580 573865888 /nfs/dbraw/zinc/86/58/88/573865888.db2.gz ZBMAVDBXAJMXAW-UHFFFAOYSA-N 0 0 164.160 1.162 10 0 ADAERN C[C@H](C[C@@H]([NH3+])c1ccccn1)C(=O)[O-] 259215841 573865896 /nfs/dbraw/zinc/86/58/96/573865896.db2.gz GQLVDYDBQXZGCG-HTQZYQBOSA-N 0 0 194.234 1.192 10 0 ADAERN Cn1ccc(=O)c2cc(Cl)ncc21 238548843 573865905 /nfs/dbraw/zinc/86/59/05/573865905.db2.gz AURRPSSDIOYPPM-UHFFFAOYSA-N 0 0 194.621 1.587 10 0 ADAERN C[C@@]1(c2cc(F)cc(F)c2)CC(=O)N1 87283365 573865906 /nfs/dbraw/zinc/86/59/06/573865906.db2.gz POTVWQVVAPMDTG-JTQLQIEISA-N 0 0 197.184 1.700 10 0 ADAERN CCC[C@](O)(CC)COC 79716702 573865916 /nfs/dbraw/zinc/86/59/16/573865916.db2.gz HMRQMVUVAVVOED-MRVPVSSYSA-N 0 0 146.230 1.574 10 0 ADAERN Cc1nc(N)cc(C(F)F)c1C=O 238549136 573865930 /nfs/dbraw/zinc/86/59/30/573865930.db2.gz UEEQKQUOXWOVFQ-UHFFFAOYSA-N 0 0 186.161 1.722 10 0 ADAERN Cc1cc(F)ncc1[C@@H]1CNC(=O)C1 238540262 573865937 /nfs/dbraw/zinc/86/59/37/573865937.db2.gz MIUZOMIWHBCXPM-ZETCQYMHSA-N 0 0 194.209 1.133 10 0 ADAERN COCN(C)c1cc(F)ccc1OC 259215627 573865949 /nfs/dbraw/zinc/86/59/49/573865949.db2.gz XLFQUDGKDAFGIK-UHFFFAOYSA-N 0 0 199.225 1.874 10 0 ADAERN C[C@H]1c2cccc(O)c2CC[C@@H]1O 259214734 573865955 /nfs/dbraw/zinc/86/59/55/573865955.db2.gz JPUPZWIMQPHPDH-XVKPBYJWSA-N 0 0 178.231 1.803 10 0 ADAERN C[C@@]1(c2cccc(F)c2)CC(=O)CN1 258973822 573865968 /nfs/dbraw/zinc/86/59/68/573865968.db2.gz SAIJNLIKARQVEC-NSHDSACASA-N 0 0 193.221 1.603 10 0 ADAERN Cn1ncc2ccc([O-])c(N=O)c21 238548334 573865979 /nfs/dbraw/zinc/86/59/79/573865979.db2.gz XSCIYQMHUAREAX-UHFFFAOYSA-N 0 0 177.163 1.677 10 0 ADAERN Cn1nc(CO)c2cc(F)ccc21 238540764 573866012 /nfs/dbraw/zinc/86/60/12/573866012.db2.gz FKOQWQLUQDDGFT-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN Cn1nc(CO)c2ccc(F)cc21 238540813 573866027 /nfs/dbraw/zinc/86/60/27/573866027.db2.gz OKRXJLNQGZPHJB-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN C[C@@H](O)C(=O)C1CCCC1 101352319 573866093 /nfs/dbraw/zinc/86/60/93/573866093.db2.gz CBDKYJFAVXNXHF-ZCFIWIBFSA-N 0 0 142.198 1.127 10 0 ADAERN O=Cc1coc(-c2ccccn2)n1 258164902 573866098 /nfs/dbraw/zinc/86/60/98/573866098.db2.gz REZIPJMEWFGOEN-UHFFFAOYSA-N 0 0 174.159 1.549 10 0 ADAERN CC(=O)CCC(=O)Nc1ccc[nH]1 258975740 573866099 /nfs/dbraw/zinc/86/60/99/573866099.db2.gz PGZRVHIURGCPDL-UHFFFAOYSA-N 0 0 180.207 1.322 10 0 ADAERN Fc1ccnc(COCC2CC2)n1 689996515 573866107 /nfs/dbraw/zinc/86/61/07/573866107.db2.gz DWIYWOSCTMWRIY-UHFFFAOYSA-N 0 0 182.198 1.542 10 0 ADAERN CCCNC(=O)OCC(C)C 79720264 573866123 /nfs/dbraw/zinc/86/61/23/573866123.db2.gz ZEWXLGSVCGBQTA-UHFFFAOYSA-N 0 0 159.229 1.779 10 0 ADAERN CCCO[C@H](C)C[C@H](C)O 79714290 573866135 /nfs/dbraw/zinc/86/61/35/573866135.db2.gz HOEFXDCWQJYPHF-JGVFFNPUSA-N 0 0 146.230 1.572 10 0 ADAERN C[C@H](C[C@H]([NH3+])c1ccccn1)C(=O)[O-] 259215845 573866155 /nfs/dbraw/zinc/86/61/55/573866155.db2.gz GQLVDYDBQXZGCG-SFYZADRCSA-N 0 0 194.234 1.192 10 0 ADAERN Nc1cccc2c1NCC(=O)S2 258439656 573866161 /nfs/dbraw/zinc/86/61/61/573866161.db2.gz GJQYJGJTZOFGIC-UHFFFAOYSA-N 0 0 180.232 1.313 10 0 ADAERN COC(CCC(C)(C)O)OC 258438720 573866168 /nfs/dbraw/zinc/86/61/68/573866168.db2.gz DVARQIASFGPDRW-UHFFFAOYSA-N 0 0 162.229 1.156 10 0 ADAERN C[C@H]1COc2cc(CO)ccc2N1 258439701 573866251 /nfs/dbraw/zinc/86/62/51/573866251.db2.gz GKJYDNDMEHHFFI-ZETCQYMHSA-N 0 0 179.219 1.372 10 0 ADAERN Cc1ccc2c(c1)[C@@H]1CC(=O)N[C@H]1C2 238548369 573866255 /nfs/dbraw/zinc/86/62/55/573866255.db2.gz SYNCSWWFCALLAO-QWRGUYRKSA-N 0 0 187.242 1.523 10 0 ADAERN Cn1ncc2ccc(F)nc21 238548298 573866262 /nfs/dbraw/zinc/86/62/62/573866262.db2.gz GNPKYVFPYPCRHF-UHFFFAOYSA-N 0 0 151.144 1.107 10 0 ADAERN Cc1cccc2c1C(=O)NCCC2=O 238549170 573866268 /nfs/dbraw/zinc/86/62/68/573866268.db2.gz KZPFCFRIGZETQT-UHFFFAOYSA-N 0 0 189.214 1.311 10 0 ADAERN OC1(c2ccc(F)c(F)c2)COC1 84346877 573866278 /nfs/dbraw/zinc/86/62/78/573866278.db2.gz YZFNAGGLSKFQLY-UHFFFAOYSA-N 0 0 186.157 1.183 10 0 ADAERN Cc1cc2c(cc1Cl)CNC2=O 238540806 573866285 /nfs/dbraw/zinc/86/62/85/573866285.db2.gz CUYGUSFXDCUHGB-UHFFFAOYSA-N 0 0 181.622 1.892 10 0 ADAERN Cc1ccc([C@H]2C[C@@H](O)C(=O)O2)cc1 238548743 573866293 /nfs/dbraw/zinc/86/62/93/573866293.db2.gz ZOLOGWNSVKTPMN-NXEZZACHSA-N 0 0 192.214 1.344 10 0 ADAERN C[C@@]12CC=C[C@@H]1C(=O)C2 101363973 573866314 /nfs/dbraw/zinc/86/63/14/573866314.db2.gz CYOMRPYSWQQNMU-SVRRBLITSA-N 0 0 122.167 1.542 10 0 ADAERN Cc1cc2c(c(C)c1N)OCCC2=O 238540193 573866316 /nfs/dbraw/zinc/86/63/16/573866316.db2.gz VCUBPDJJVURGAQ-UHFFFAOYSA-N 0 0 191.230 1.851 10 0 ADAERN Cc1cccc2c1O[C@H](O)CC2=O 238549338 573866326 /nfs/dbraw/zinc/86/63/26/573866326.db2.gz DTEFHGLUIAVKIK-VIFPVBQESA-N 0 0 178.187 1.279 10 0 ADAERN COC[C@H](O)c1cscc1C 87288070 573866332 /nfs/dbraw/zinc/86/63/32/573866332.db2.gz DZWUBXQVNJVGDJ-QMMMGPOBSA-N 0 0 172.249 1.736 10 0 ADAERN CC(=O)Cc1cc(C)c(F)c(O)c1 258165637 573866351 /nfs/dbraw/zinc/86/63/51/573866351.db2.gz VIUNESJSMRCEQU-UHFFFAOYSA-N 0 0 182.194 1.971 10 0 ADAERN COC(=O)[C@@H](F)C1CCC1 258519254 573866356 /nfs/dbraw/zinc/86/63/56/573866356.db2.gz MDFIBNDMSVICLQ-LURJTMIESA-N 0 0 146.161 1.298 10 0 ADAERN Cc1nn(C)cc1OC(C)C 238162410 573866360 /nfs/dbraw/zinc/86/63/60/573866360.db2.gz YZTNOGDQYYUVOQ-UHFFFAOYSA-N 0 0 154.213 1.516 10 0 ADAERN CC[C@H](O)[C@@H](O)C(C)(C)CC 79630450 573866378 /nfs/dbraw/zinc/86/63/78/573866378.db2.gz DJXVCYNUMJVEBF-JGVFFNPUSA-N 0 0 160.257 1.554 10 0 ADAERN CC(=O)C1=C(C)NC[C@@H]1C(C)C 238162686 573866386 /nfs/dbraw/zinc/86/63/86/573866386.db2.gz JVGHQLQXKXYPTH-NXEZZACHSA-N 0 0 167.252 1.938 10 0 ADAERN CC(C)(C)n1nc2c(c1C=O)COC2 257889581 573866389 /nfs/dbraw/zinc/86/63/89/573866389.db2.gz WULVLSICLQTXLG-UHFFFAOYSA-N 0 0 194.234 1.481 10 0 ADAERN CCCc1nnc(C)nc1Cl 259215948 573866418 /nfs/dbraw/zinc/86/64/18/573866418.db2.gz NYQDTJPIJRULCX-UHFFFAOYSA-N 0 0 171.631 1.786 10 0 ADAERN Cn1cc([C@]2(O)CCCSC2)cn1 84362084 573866423 /nfs/dbraw/zinc/86/64/23/573866423.db2.gz XVDWWCYSNFNQTC-VIFPVBQESA-N 0 0 198.291 1.135 10 0 ADAERN CC(=O)c1nn(C)c2c1CCCCC2 257889662 573866459 /nfs/dbraw/zinc/86/64/59/573866459.db2.gz WWJICKCIDBNXSA-UHFFFAOYSA-N 0 0 192.262 1.892 10 0 ADAERN C[C@]1(c2cc(F)cc(F)c2)CC(=O)N1 87283363 573866472 /nfs/dbraw/zinc/86/64/72/573866472.db2.gz POTVWQVVAPMDTG-SNVBAGLBSA-N 0 0 197.184 1.700 10 0 ADAERN Cc1ccn2cnnc2c1F 238540516 573866473 /nfs/dbraw/zinc/86/64/73/573866473.db2.gz DZCVHEQAYUMHIN-UHFFFAOYSA-N 0 0 151.144 1.177 10 0 ADAERN COCC(=O)c1ccc(Cl)cn1 87285655 573866505 /nfs/dbraw/zinc/86/65/05/573866505.db2.gz HAEUOUTWXSAFDY-UHFFFAOYSA-N 0 0 185.610 1.564 10 0 ADAERN COC[C@@](C)(O)c1ccc(C)c(F)c1 87283817 573866521 /nfs/dbraw/zinc/86/65/21/573866521.db2.gz WZOJBVUJHFFZRT-LLVKDONJSA-N 0 0 198.237 1.988 10 0 ADAERN Cc1nnc(C2CC2)cc1CO 238540553 573866550 /nfs/dbraw/zinc/86/65/50/573866550.db2.gz GSRZFXWTECYMGC-UHFFFAOYSA-N 0 0 164.208 1.155 10 0 ADAERN COC(=O)[C@H](O)c1cc(F)ccc1C 84379194 573866559 /nfs/dbraw/zinc/86/65/59/573866559.db2.gz PUJRQLJDJCBBOF-SECBINFHSA-N 0 0 198.193 1.341 10 0 ADAERN Cc1c(C)c(C)c(C=O)c(C)c1C 238540511 573866561 /nfs/dbraw/zinc/86/65/61/573866561.db2.gz LEJZPGFPRWNZDI-SDQBBNPISA-N 0 0 176.259 1.627 10 0 ADAERN CC(C)SC(=O)c1[nH]cnc1N 257891318 573866568 /nfs/dbraw/zinc/86/65/68/573866568.db2.gz JAGWCSLFXSLGLK-UHFFFAOYSA-N 0 0 185.252 1.274 10 0 ADAERN CC1(c2cc(N)n[nH]2)CCSCC1 258165531 573866577 /nfs/dbraw/zinc/86/65/77/573866577.db2.gz UAABFTDIAXBYMG-UHFFFAOYSA-N 0 0 197.307 1.777 10 0 ADAERN Nc1cnoc1[C@@H]1CCCO1 258440822 573866593 /nfs/dbraw/zinc/86/65/93/573866593.db2.gz FAEOQYBWDQPIQV-LURJTMIESA-N 0 0 154.169 1.108 10 0 ADAERN Cc1cc(O)cc(C(=O)CN)c1Cl 214998262 573866598 /nfs/dbraw/zinc/86/65/98/573866598.db2.gz PNONEPDBPCNJCJ-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN Cn1nc(CO)c2cccc(F)c21 238540846 573866600 /nfs/dbraw/zinc/86/66/00/573866600.db2.gz MELYTYFEGXEVLX-UHFFFAOYSA-N 0 0 180.182 1.205 10 0 ADAERN CC(C)C[C@@H]1N[C@@H](C(C)(C)C)OC1=O 238161903 573866612 /nfs/dbraw/zinc/86/66/12/573866612.db2.gz NWXODVMYZOBQJU-WCBMZHEXSA-N 0 0 199.294 1.920 10 0 ADAERN Cc1c(O)ccc2c1NC(=O)CC2 238540209 573866644 /nfs/dbraw/zinc/86/66/44/573866644.db2.gz OEYWWPHDPJCGJN-UHFFFAOYSA-N 0 0 177.203 1.585 10 0 ADAERN Cc1c(O)ccc2c1NC(=O)C2 238540181 573866708 /nfs/dbraw/zinc/86/67/08/573866708.db2.gz WMEIRZISZOZLKU-UHFFFAOYSA-N 0 0 163.176 1.195 10 0 ADAERN CN(C)C(=O)NCC(F)(F)C1CC1 308459407 573866721 /nfs/dbraw/zinc/86/67/21/573866721.db2.gz HAFPMBQSQSZURV-UHFFFAOYSA-N 0 0 192.209 1.303 10 0 ADAERN Cc1cc2c(=O)[nH]cc-2[nH]c1Cl 238540842 573866744 /nfs/dbraw/zinc/86/67/44/573866744.db2.gz SHCKQZKFBZLSTK-UHFFFAOYSA-N 0 0 182.610 1.287 10 0 ADAERN C/C(=C/CO)COc1ccccc1O 215137226 573866745 /nfs/dbraw/zinc/86/67/45/573866745.db2.gz JMWIDRRTAKVJAT-TWGQIWQCSA-N 0 0 194.230 1.710 10 0 ADAERN O=C([O-])C[C@@H]1CC[N@@H+](C2CCC2)C1 84381088 573866746 /nfs/dbraw/zinc/86/67/46/573866746.db2.gz COMPATWIPHKSBB-QMMMGPOBSA-N 0 0 183.251 1.336 10 0 ADAERN Cc1cc(OC(C)C)cnc1N 238162865 573866748 /nfs/dbraw/zinc/86/67/48/573866748.db2.gz UYHXYISXPLEOII-UHFFFAOYSA-N 0 0 166.224 1.759 10 0 ADAERN O=Cc1ccc(-c2ncc(F)cn2)o1 238549322 573866750 /nfs/dbraw/zinc/86/67/50/573866750.db2.gz NZAQYAINVPMJEX-UHFFFAOYSA-N 0 0 192.149 1.688 10 0 ADAERN COC(=O)[C@H](O)c1csc(C)c1 84379162 573866764 /nfs/dbraw/zinc/86/67/64/573866764.db2.gz PKUXBONVULLNAY-SSDOTTSWSA-N 0 0 186.232 1.263 10 0 ADAERN C/C=C1\CC[C@H](O)OC1 215081393 573866770 /nfs/dbraw/zinc/86/67/70/573866770.db2.gz XZJPCSKHLVOHCJ-XBNAYDIESA-N 0 0 128.171 1.062 10 0 ADAERN C/C=C\[C@H](O)CCC(C)=O 215082648 573866780 /nfs/dbraw/zinc/86/67/80/573866780.db2.gz JECKUMVVRSCTFM-VEMNSZJBSA-N 0 0 142.198 1.293 10 0 ADAERN Cc1cn(C[C@@H]2CCCC2=O)cn1 238548833 573866790 /nfs/dbraw/zinc/86/67/90/573866790.db2.gz TWKOIIUEOMFKKB-VIFPVBQESA-N 0 0 178.235 1.561 10 0 ADAERN COCC(=O)c1cscc1C 87287900 573866792 /nfs/dbraw/zinc/86/67/92/573866792.db2.gz YEFJWJHLZOWZCZ-UHFFFAOYSA-N 0 0 170.233 1.886 10 0 ADAERN Cc1ccc2c(c1)[C@H]1CC(=O)N[C@@H]1C2 238548757 573866803 /nfs/dbraw/zinc/86/68/03/573866803.db2.gz SYNCSWWFCALLAO-GHMZBOCLSA-N 0 0 187.242 1.523 10 0 ADAERN OCc1csc(-c2ccc[nH]2)n1 79643363 573866825 /nfs/dbraw/zinc/86/68/25/573866825.db2.gz PLRZLHNURHDXDG-UHFFFAOYSA-N 0 0 180.232 1.631 10 0 ADAERN C[C@H](C(=O)[O-])[C@H](c1ccc[nH]1)[NH+](C)C 259575679 573866827 /nfs/dbraw/zinc/86/68/27/573866827.db2.gz PMUFJUPFMOVOAY-IONNQARKSA-N 0 0 196.250 1.338 10 0 ADAERN COC[C@H](O)c1ccc(Cl)cn1 87285777 573866837 /nfs/dbraw/zinc/86/68/37/573866837.db2.gz IFGIQTJYIRQNHF-QMMMGPOBSA-N 0 0 187.626 1.415 10 0 ADAERN COCSc1ccccc1CO 238362029 573866840 /nfs/dbraw/zinc/86/68/40/573866840.db2.gz CKDAUTYQURNBMX-UHFFFAOYSA-N 0 0 184.260 1.875 10 0 ADAERN C[C@@H](C(=O)[O-])[C@H](c1ccc[nH]1)[NH+](C)C 259575680 573866843 /nfs/dbraw/zinc/86/68/43/573866843.db2.gz PMUFJUPFMOVOAY-VXNVDRBHSA-N 0 0 196.250 1.338 10 0 ADAERN CC(=O)[C@H]1CC=C(CO)CC1 238162194 573866896 /nfs/dbraw/zinc/86/68/96/573866896.db2.gz PDLBHDBHPOGBIK-VIFPVBQESA-N 0 0 154.209 1.294 10 0 ADAERN Cc1noc(N)c1-c1ccccc1O 257891632 573866967 /nfs/dbraw/zinc/86/69/67/573866967.db2.gz XDKPDVYHPKNJAF-UHFFFAOYSA-N 0 0 190.202 1.938 10 0 ADAERN Cc1cc(Cl)c(O)cc1C(=O)CN 214998116 573866992 /nfs/dbraw/zinc/86/69/92/573866992.db2.gz LCTCHIRXVKFQJI-UHFFFAOYSA-N 0 0 199.637 1.495 10 0 ADAERN OCc1cc(Cc2cccs2)n[nH]1 259216287 573866998 /nfs/dbraw/zinc/86/69/98/573866998.db2.gz LNTUNCCRMNMZIJ-UHFFFAOYSA-N 0 0 194.259 1.554 10 0 ADAERN Cc1ccc2c(c1)[n+]([O-])c(C)n2O 101381508 573867023 /nfs/dbraw/zinc/86/70/23/573867023.db2.gz MGTYMHSEYQESEM-UHFFFAOYSA-N 0 0 178.191 1.129 10 0 ADAERN C[C@H](C(=O)[O-])[C@@H](c1ccc[nH]1)[NH+](C)C 259575678 573867026 /nfs/dbraw/zinc/86/70/26/573867026.db2.gz PMUFJUPFMOVOAY-CBAPKCEASA-N 0 0 196.250 1.338 10 0 ADAERN Cc1ccc([C@H]2CNOC2)cc1 258440774 573867029 /nfs/dbraw/zinc/86/70/29/573867029.db2.gz DZOMTSQWDVZDSC-JTQLQIEISA-N 0 0 163.220 1.613 10 0 ADAERN CCC[N@H+](C)C[C@H](C)CC(=O)[O-] 258975027 573867049 /nfs/dbraw/zinc/86/70/49/573867049.db2.gz XNKNALATOFFFMH-MRVPVSSYSA-N 0 0 173.256 1.439 10 0 ADAERN CC1(C)NNC2=C1C(=O)CCC=C2 238172194 573867081 /nfs/dbraw/zinc/86/70/81/573867081.db2.gz LJEOBUPISNRKDO-VIFPVBQESA-N 0 0 178.235 1.260 10 0 ADAERN C1CCN2OCC[C@H]2C1 212046887 573867091 /nfs/dbraw/zinc/86/70/91/573867091.db2.gz VLQNIPJTTOFPPT-SSDOTTSWSA-N 0 0 127.187 1.176 10 0 ADAERN OC1(c2ccco2)CCSCC1 84344799 573867092 /nfs/dbraw/zinc/86/70/92/573867092.db2.gz HTHNWDDRDWADDN-UHFFFAOYSA-N 0 0 184.260 1.994 10 0 ADAERN O[C@@]1(c2cncnc2)CCCSC1 84359666 573867097 /nfs/dbraw/zinc/86/70/97/573867097.db2.gz TUWKSBALOSRDRZ-VIFPVBQESA-N 0 0 196.275 1.191 10 0 ADAERN CCOC(=O)/C=C/C=C\[C@H]1CCCO1 308458999 573867126 /nfs/dbraw/zinc/86/71/26/573867126.db2.gz UWNOXDZBVKCPNO-OHAMKPRKSA-N 0 0 196.246 1.841 10 0 ADAERN Cn1cc([C@@]2(O)CCCSC2)cn1 84362087 573867135 /nfs/dbraw/zinc/86/71/35/573867135.db2.gz XVDWWCYSNFNQTC-SECBINFHSA-N 0 0 198.291 1.135 10 0 ADAERN C[C@H]1C[C@]1(C)CO 145867737 573867139 /nfs/dbraw/zinc/86/71/39/573867139.db2.gz LVUZRABOZYCSGQ-NTSWFWBYSA-N 0 0 100.161 1.025 10 0 ADAERN Cc1cn(C[C@H]2CCCC2=O)cn1 238548997 573867146 /nfs/dbraw/zinc/86/71/46/573867146.db2.gz TWKOIIUEOMFKKB-SECBINFHSA-N 0 0 178.235 1.561 10 0 ADAERN O=C1CN[C@@H](c2ccccc2F)C1 258975331 573867162 /nfs/dbraw/zinc/86/71/62/573867162.db2.gz UXWLUXAYXDGDCZ-SNVBAGLBSA-N 0 0 179.194 1.429 10 0 ADAERN Cc1nnc(C2CC2)cc1C=O 238540487 573867197 /nfs/dbraw/zinc/86/71/97/573867197.db2.gz FMCCQLLVGQHNOV-UHFFFAOYSA-N 0 0 162.192 1.475 10 0 ADAERN C[C@]1(c2cccc(F)c2)CC(=O)CN1 258973818 573867204 /nfs/dbraw/zinc/86/72/04/573867204.db2.gz SAIJNLIKARQVEC-LLVKDONJSA-N 0 0 193.221 1.603 10 0 ADAERN O=C1N=NC(c2ccc(Cl)cn2)N1 87286523 573867243 /nfs/dbraw/zinc/86/72/43/573867243.db2.gz SBUUYBLEBULBTP-UHFFFAOYSA-N 0 0 196.597 1.226 10 0 ADAERN COc1ccc(F)c2c1CC(=O)N2 87287317 573867255 /nfs/dbraw/zinc/86/72/55/573867255.db2.gz CIPXDIRGSDHVQH-UHFFFAOYSA-N 0 0 181.166 1.329 10 0 ADAERN OC[C@H]1C/C1=C/c1ccco1 393566304 573867260 /nfs/dbraw/zinc/86/72/60/573867260.db2.gz DXWDVFUKMRJXRD-GRKOMRHMSA-N 0 0 150.177 1.675 10 0 ADAERN Cc1ccn2nc(C)c(CO)c2c1 238540713 573867277 /nfs/dbraw/zinc/86/72/77/573867277.db2.gz BYAQIGDKLURWBW-UHFFFAOYSA-N 0 0 176.219 1.443 10 0 ADAERN CC(C)(C)[C@H]1CC(=O)[C@@H]2O[C@@H]2C1 238162577 573867294 /nfs/dbraw/zinc/86/72/94/573867294.db2.gz RMLIJKASTMGJBN-ZQARSLAVSA-N 0 0 168.236 1.779 10 0 ADAERN CC(=O)[C@@H]1CC=C(C)C[C@@H]1O 238161483 573867301 /nfs/dbraw/zinc/86/73/01/573867301.db2.gz NFUHNIBFCCZBOO-IUCAKERBSA-N 0 0 154.209 1.293 10 0 ADAERN CC(C)(C)[C@@H]1C[C@H]2NC(=O)O[C@@H]2C1 238162487 573867306 /nfs/dbraw/zinc/86/73/06/573867306.db2.gz VFFVIWBRWDUUPN-BWZBUEFSSA-N 0 0 183.251 1.920 10 0 ADAERN c1ccc(Nc2cnns2)nc1 238540634 573867308 /nfs/dbraw/zinc/86/73/08/573867308.db2.gz RAWVUMVRIJLHGA-UHFFFAOYSA-N 0 0 178.220 1.677 10 0 ADAERN CC[C@@H]1C[C@@H]1C(=O)N(C)C[C@@H](C)CO 688742747 573867312 /nfs/dbraw/zinc/86/73/12/573867312.db2.gz DZAYRBMMIKOQLY-BBBLOLIVSA-N 0 0 199.294 1.119 10 0 ADAERN Cc1ccc2c(c1)[C@@H]1NC(=O)C[C@@H]1C2 238548566 573867320 /nfs/dbraw/zinc/86/73/20/573867320.db2.gz FNFXVOOKQAZQFT-JOYOIKCWSA-N 0 0 187.242 1.728 10 0 ADAERN C[C@H](O)Cc1cccc2c1CCCN2 257891594 573867322 /nfs/dbraw/zinc/86/73/22/573867322.db2.gz XDBWEYRZBUMCGZ-VIFPVBQESA-N 0 0 191.274 1.968 10 0 ADAERN Cc1cc2c(o1)CCCNC2=O 238540705 573867339 /nfs/dbraw/zinc/86/73/39/573867339.db2.gz GWBCXJFHKNGSPA-UHFFFAOYSA-N 0 0 165.192 1.264 10 0 ADAERN CC[C@H](C)CN(C)C=O 80026919 573876366 /nfs/dbraw/zinc/87/63/66/573876366.db2.gz KYJMPHWVYLRLGA-ZETCQYMHSA-N 0 0 129.203 1.121 10 0 ADAERN Cc1cn(-c2ccc(O)cc2)c(=O)[nH]1 238551470 573876378 /nfs/dbraw/zinc/87/63/78/573876378.db2.gz PHRPEKQTSFNEDS-UHFFFAOYSA-N 0 0 190.202 1.180 10 0 ADAERN CC(C)(NO)C(=O)c1ccc(O)cc1 238165499 573876382 /nfs/dbraw/zinc/87/63/82/573876382.db2.gz UQWUHFMNLNGLAD-UHFFFAOYSA-N 0 0 195.218 1.332 10 0 ADAERN C[C@]1(c2ccoc2)C[C@H](O)CCO1 87307665 573876388 /nfs/dbraw/zinc/87/63/88/573876388.db2.gz YMYROLKKOMCIMR-NXEZZACHSA-N 0 0 182.219 1.666 10 0 ADAERN C[C@@H](O)[C@@H]1CNc2cccc(O)c21 258168642 573876391 /nfs/dbraw/zinc/87/63/91/573876391.db2.gz RYLHVFBKTCJCIJ-RQJHMYQMSA-N 0 0 179.219 1.282 10 0 ADAERN COC(=O)[C@@H]1[C@@H](OC)C12CCCC2 259578779 573876399 /nfs/dbraw/zinc/87/63/99/573876399.db2.gz KCANQDRMCVBWCG-JGVFFNPUSA-N 0 0 184.235 1.365 10 0 ADAERN O[C@@H]1CCCn2nc(C3CCC3)nc21 258169119 573876406 /nfs/dbraw/zinc/87/64/06/573876406.db2.gz DVUNOQPMXKJONQ-MRVPVSSYSA-N 0 0 193.250 1.373 10 0 ADAERN C[N@@H+]1C[C@@H](C(C)(C)C)C[C@@H]1C(=O)[O-] 257895787 573876410 /nfs/dbraw/zinc/87/64/10/573876410.db2.gz OCYCCTWKRQBYCM-JGVFFNPUSA-N 0 0 185.267 1.437 10 0 ADAERN O=c1cc2cc(O)ccc2c[nH]1 80061673 573876412 /nfs/dbraw/zinc/87/64/12/573876412.db2.gz LLYBWEPNBQEKEO-UHFFFAOYSA-N 0 0 161.160 1.234 10 0 ADAERN Oc1ccc(O)c(C2(O)CCCC2)c1 259575909 573876442 /nfs/dbraw/zinc/87/64/42/573876442.db2.gz YIDUWRSPFILQSJ-UHFFFAOYSA-N 0 0 194.230 1.859 10 0 ADAERN Cc1cscc1CNC=O 87311503 573876446 /nfs/dbraw/zinc/87/64/46/573876446.db2.gz PUZVBUXDJRZTKS-UHFFFAOYSA-N 0 0 155.222 1.303 10 0 ADAERN C[C@]1(c2ccoc2)CNC(=O)C1 87307971 573876456 /nfs/dbraw/zinc/87/64/56/573876456.db2.gz MOKAETKANZQXTI-SECBINFHSA-N 0 0 165.192 1.057 10 0 ADAERN CC(C)(O)CCC1=C[C@@H](O)CC1 238176458 573876460 /nfs/dbraw/zinc/87/64/60/573876460.db2.gz QSRCWCUDJGDDRA-VIFPVBQESA-N 0 0 170.252 1.619 10 0 ADAERN Cn1ccc2cc(CO)ncc21 238551536 573876466 /nfs/dbraw/zinc/87/64/66/573876466.db2.gz DQBIPWMVLJYKIZ-UHFFFAOYSA-N 0 0 162.192 1.066 10 0 ADAERN COC(=O)[C@]1(C(C)C)C[C@@H]1C 258976226 573875741 /nfs/dbraw/zinc/87/57/41/573875741.db2.gz IWGRIVIHGVDURV-CBAPKCEASA-N 0 0 156.225 1.842 10 0 ADAERN CC(C)Cc1cnc(N)nc1Cl 258441404 573875765 /nfs/dbraw/zinc/87/57/65/573875765.db2.gz FJEJYOJABWPVSG-UHFFFAOYSA-N 0 0 185.658 1.911 10 0 ADAERN O=[S@]1CCCN[C@@H](c2ccoc2)C1 87307728 573875766 /nfs/dbraw/zinc/87/57/66/573875766.db2.gz DWEKQKAIKNVZRV-NOZJJQNGSA-N 0 0 199.275 1.063 10 0 ADAERN CC(=O)[C@@H]1CCC[C@@]12CCCC(=O)N2 238165043 573875788 /nfs/dbraw/zinc/87/57/88/573875788.db2.gz ZSUZTFLAQMKHRD-GXSJLCMTSA-N 0 0 195.262 1.414 10 0 ADAERN COc1ccc([C@H](NN)C2CC2)cn1 308460512 573875797 /nfs/dbraw/zinc/87/57/97/573875797.db2.gz DCNVPURTQNQDSA-SNVBAGLBSA-N 0 0 193.250 1.005 10 0 ADAERN CC(C)=C[C@@H]1NC(=O)C1(C)C 238164912 573875799 /nfs/dbraw/zinc/87/57/99/573875799.db2.gz LAHMUEZQWXZYHS-ZETCQYMHSA-N 0 0 153.225 1.477 10 0 ADAERN CC(C)[N@@H+]1CC[C@H](C(=O)[O-])CC1(C)C 259216634 573875801 /nfs/dbraw/zinc/87/58/01/573875801.db2.gz CVFJNLMQUBDZTB-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN Cc1nc(N)cn1C(=O)OC(C)(C)C 238551891 573875829 /nfs/dbraw/zinc/87/58/29/573875829.db2.gz PKOUSLANQBWUIH-UHFFFAOYSA-N 0 0 197.238 1.557 10 0 ADAERN Cc1nc(N)cn1C1CCOCC1 238551913 573875835 /nfs/dbraw/zinc/87/58/35/573875835.db2.gz NMUBNWRADZJZEP-UHFFFAOYSA-N 0 0 181.239 1.125 10 0 ADAERN Cc1cn(-c2ccccc2O)c(=O)[nH]1 238551735 573875855 /nfs/dbraw/zinc/87/58/55/573875855.db2.gz VQOGWEVXMVHYCL-UHFFFAOYSA-N 0 0 190.202 1.180 10 0 ADAERN C[N@@H+]1C[C@@H](C(C)(C)C)C[C@H]1C(=O)[O-] 257895792 573875914 /nfs/dbraw/zinc/87/59/14/573875914.db2.gz OCYCCTWKRQBYCM-YUMQZZPRSA-N 0 0 185.267 1.437 10 0 ADAERN Cc1cc([C@H](O)C(C)(C)O)cs1 235757421 573875929 /nfs/dbraw/zinc/87/59/29/573875929.db2.gz RPNPGBZWLKWUJU-QMMMGPOBSA-N 0 0 186.276 1.861 10 0 ADAERN CC(C)=C[C@@H]1C[C@@H]1CO 238164639 573875931 /nfs/dbraw/zinc/87/59/31/573875931.db2.gz NCQVFTGQCZGIGL-HTQZYQBOSA-N 0 0 126.199 1.581 10 0 ADAERN C=C=C(C)[C@H]1OC(C)(C)[C@@H]2C(=O)N[C@H]12 238163856 573875939 /nfs/dbraw/zinc/87/59/39/573875939.db2.gz ZOUPOLDKYJIZFP-XHNCKOQMSA-N 0 0 193.246 1.010 10 0 ADAERN C[C@@H](O)C[C@@H](C)c1cnn(C)c1 84400771 573875940 /nfs/dbraw/zinc/87/59/40/573875940.db2.gz KNDVTULBXVFSQD-HTQZYQBOSA-N 0 0 168.240 1.295 10 0 ADAERN Cc1cscc1CNC(N)=S 87308727 573875946 /nfs/dbraw/zinc/87/59/46/573875946.db2.gz UXISRLHVUVUAIH-UHFFFAOYSA-N 0 0 186.305 1.390 10 0 ADAERN Cc1ccsc1CN1CCC(=O)C1 87310841 573875970 /nfs/dbraw/zinc/87/59/70/573875970.db2.gz MYZTVKJVGNVHCV-UHFFFAOYSA-N 0 0 195.287 1.831 10 0 ADAERN CNO[C@@H]1CCCCS1 257889801 573876025 /nfs/dbraw/zinc/87/60/25/573876025.db2.gz GNQLVNPUYNWBJM-LURJTMIESA-N 0 0 147.243 1.381 10 0 ADAERN COc1ccccc1N(C)CO 258978161 573876054 /nfs/dbraw/zinc/87/60/54/573876054.db2.gz WBTSZQBANIBNTN-UHFFFAOYSA-N 0 0 167.208 1.081 10 0 ADAERN O[C@@H]1CCC[C@@H](F)C1 76570940 573876064 /nfs/dbraw/zinc/87/60/64/573876064.db2.gz XVHYGZFXBBUDTA-PHDIDXHHSA-N 0 0 118.151 1.259 10 0 ADAERN CC/C=C\COC(=O)c1cnns1 308460190 573876071 /nfs/dbraw/zinc/87/60/71/573876071.db2.gz HCCBEYVQVXHJJH-ARJAWSKDSA-N 0 0 198.247 1.661 10 0 ADAERN CCC[C@]1(C)OC[C@@H](CCO)O1 258442014 573876098 /nfs/dbraw/zinc/87/60/98/573876098.db2.gz CQCARMLTSQWWEA-RKDXNWHRSA-N 0 0 174.240 1.301 10 0 ADAERN CC[C@H]1NC(=O)C[C@@]1(C)c1ccoc1 87307980 573876111 /nfs/dbraw/zinc/87/61/11/573876111.db2.gz NHCAQGQQWXBFNG-KOLCDFICSA-N 0 0 193.246 1.836 10 0 ADAERN CNO[C@H]1CCCCS1 257889802 573876112 /nfs/dbraw/zinc/87/61/12/573876112.db2.gz GNQLVNPUYNWBJM-ZCFIWIBFSA-N 0 0 147.243 1.381 10 0 ADAERN C[C@@H](C[C@@H](C)O)c1cnn(C)c1 84400766 573876114 /nfs/dbraw/zinc/87/61/14/573876114.db2.gz KNDVTULBXVFSQD-JGVFFNPUSA-N 0 0 168.240 1.295 10 0 ADAERN C[C@@]1(c2ccoc2)C[C@@H](O)CCO1 87307668 573876119 /nfs/dbraw/zinc/87/61/19/573876119.db2.gz YMYROLKKOMCIMR-UWVGGRQHSA-N 0 0 182.219 1.666 10 0 ADAERN C[C@@H]1NC(=O)C[C@]1(C)c1ccoc1 87307973 573876124 /nfs/dbraw/zinc/87/61/24/573876124.db2.gz SSRAUYHGXFHHJH-XVKPBYJWSA-N 0 0 179.219 1.446 10 0 ADAERN c1cc2cc[nH]c2[nH]1 80018308 573876138 /nfs/dbraw/zinc/87/61/38/573876138.db2.gz CGRCTJNCJNTKKL-UHFFFAOYSA-N 0 0 106.128 1.496 10 0 ADAERN CCOC(=O)CCCc1c[nH]nc1C 78231594 573876146 /nfs/dbraw/zinc/87/61/46/573876146.db2.gz ACQSKYCYCBSKDF-UHFFFAOYSA-N 0 0 196.250 1.604 10 0 ADAERN CC1(c2nc(N)n[nH]2)CCCC1 87315928 573876184 /nfs/dbraw/zinc/87/61/84/573876184.db2.gz LFEBCFHZKIGPLK-UHFFFAOYSA-N 0 0 166.228 1.219 10 0 ADAERN C/C=C\C[C@@]1(C(=O)[O-])CCC[NH2+]C1 211749868 573876198 /nfs/dbraw/zinc/87/61/98/573876198.db2.gz UFWAIMARDCXRJO-MXQLGCADSA-N 0 0 183.251 1.407 10 0 ADAERN CCc1ccsc1CNC=O 87311493 573876199 /nfs/dbraw/zinc/87/61/99/573876199.db2.gz GNSKPONGPVFTON-UHFFFAOYSA-N 0 0 169.249 1.557 10 0 ADAERN O[C@H]1CCc2cnc(C3CCC3)n2C1 258169095 573876204 /nfs/dbraw/zinc/87/62/04/573876204.db2.gz ILIJVDBLZHUKAA-JTQLQIEISA-N 0 0 192.262 1.458 10 0 ADAERN O=C1C=CCc2c(F)cccc2N1 238551848 573876211 /nfs/dbraw/zinc/87/62/11/573876211.db2.gz CRVXUPLVTXYSBD-UHFFFAOYSA-N 0 0 177.178 1.877 10 0 ADAERN C[C@H]1NC(=O)C[C@]1(C)c1ccoc1 87307972 573876216 /nfs/dbraw/zinc/87/62/16/573876216.db2.gz SSRAUYHGXFHHJH-XCBNKYQSSA-N 0 0 179.219 1.446 10 0 ADAERN Cc1cscc1CNC#N 87310779 573876230 /nfs/dbraw/zinc/87/62/30/573876230.db2.gz AMKFJJRUKIXZKE-UHFFFAOYSA-N 0 0 152.222 1.627 10 0 ADAERN COC(=O)/C=C\N1CC[C@@H](C)C1 211630947 573876241 /nfs/dbraw/zinc/87/62/41/573876241.db2.gz GHQHHOLNSHXRPH-RZAAKKIOSA-N 0 0 169.224 1.015 10 0 ADAERN C[C@@H]1C[S@](=O)C[C@H](c2ccoc2)N1 87307719 573876261 /nfs/dbraw/zinc/87/62/61/573876261.db2.gz BJWVLAYUVPUYFO-HUQFOHBGSA-N 0 0 199.275 1.061 10 0 ADAERN CC(=O)CNC(=O)C(C1CC1)C1CC1 308460598 573876292 /nfs/dbraw/zinc/87/62/92/573876292.db2.gz GBWGTQOAGMIXMZ-UHFFFAOYSA-N 0 0 195.262 1.128 10 0 ADAERN Cc1ccc([C@H](O)CO)cc1Cl 235758887 573876309 /nfs/dbraw/zinc/87/63/09/573876309.db2.gz FTVMUYXNBJXYPO-SECBINFHSA-N 0 0 186.638 1.674 10 0 ADAERN C[C@H](O)[C@@H]1CNc2cccc(O)c21 258168626 573876331 /nfs/dbraw/zinc/87/63/31/573876331.db2.gz RYLHVFBKTCJCIJ-BQBZGAKWSA-N 0 0 179.219 1.282 10 0 ADAERN Cn1ccc2ccc(C=O)nc21 238551864 573876353 /nfs/dbraw/zinc/87/63/53/573876353.db2.gz FBNJHBFMYIWXMK-UHFFFAOYSA-N 0 0 160.176 1.386 10 0 ADAERN C[C@]1(CCO)CN(C2CCC2)C(=O)O1 258168303 573876360 /nfs/dbraw/zinc/87/63/60/573876360.db2.gz YWMAJLGPWKDAAQ-JTQLQIEISA-N 0 0 199.250 1.132 10 0 ADAERN C=Cc1nnc([C@@H](N)C(C)(C)C)o1 238176674 573878015 /nfs/dbraw/zinc/87/80/15/573878015.db2.gz PPFIFXYNUJZXGR-SSDOTTSWSA-N 0 0 181.239 1.759 10 0 ADAERN CC/C=C\C(=O)O[C@@H](C)C(=O)CC 308460106 573878026 /nfs/dbraw/zinc/87/80/26/573878026.db2.gz HBULFJYYTJCQIK-UAPHAKCISA-N 0 0 184.235 1.863 10 0 ADAERN CC[C@@H]1NC(=O)C[C@@]1(C)c1ccoc1 87307981 573878043 /nfs/dbraw/zinc/87/80/43/573878043.db2.gz NHCAQGQQWXBFNG-ONGXEEELSA-N 0 0 193.246 1.836 10 0 ADAERN CC(C)N1CC(C)(C)[NH2+][C@H]1C 238175860 573878047 /nfs/dbraw/zinc/87/80/47/573878047.db2.gz BVJQZBMLYCGDQK-MRVPVSSYSA-N 0 0 156.273 1.425 10 0 ADAERN CC[C@H](C)C[C@@H]1COC[C@@H]1O 687966918 573878067 /nfs/dbraw/zinc/87/80/67/573878067.db2.gz OLDHGOMRNQPDDL-YIZRAAEISA-N 0 0 158.241 1.430 10 0 ADAERN NNc1csc(C2CCC2)n1 259217634 573878069 /nfs/dbraw/zinc/87/80/69/573878069.db2.gz IKCPGTATVLLCKC-UHFFFAOYSA-N 0 0 169.253 1.696 10 0 ADAERN CN(CC1(CO)CC1)c1cccs1 258982326 573878073 /nfs/dbraw/zinc/87/80/73/573878073.db2.gz UUDNUECJTSAEGG-UHFFFAOYSA-N 0 0 197.303 1.957 10 0 ADAERN O=Cc1cc(F)ncc1C(F)F 238551831 573878078 /nfs/dbraw/zinc/87/80/78/573878078.db2.gz KQJCTQIEGNVXLB-UHFFFAOYSA-N 0 0 175.109 1.971 10 0 ADAERN CC[C@H](C)C[C@@H]1COC[C@H]1O 687966912 573878091 /nfs/dbraw/zinc/87/80/91/573878091.db2.gz OLDHGOMRNQPDDL-DJLDLDEBSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)c1ccc(N)[nH]1 101686633 573878106 /nfs/dbraw/zinc/87/81/06/573878106.db2.gz VCBUPKRPOVGHAK-UHFFFAOYSA-N 0 0 124.187 1.720 10 0 ADAERN [NH3+]C1C[C@@H]2CC(C(=O)[O-])C[C@H](C1)C2 238551109 573878116 /nfs/dbraw/zinc/87/81/16/573878116.db2.gz RDELAFWPZNTHAE-QPIHLSAKSA-N 0 0 183.251 1.225 10 0 ADAERN CCOCCC(=O)c1c(C)cnn1C 308459776 573878119 /nfs/dbraw/zinc/87/81/19/573878119.db2.gz FXPYWLINHNBGND-UHFFFAOYSA-N 0 0 196.250 1.338 10 0 ADAERN CC(C)(C)[C@H]([NH3+])c1ccc[nH]c1=O 238176090 573878122 /nfs/dbraw/zinc/87/81/22/573878122.db2.gz SATZVHKEDYAWAL-MRVPVSSYSA-N 0 0 180.251 1.833 10 0 ADAERN C[C@H](CO)c1cnc([C@@H]2CCCO2)o1 257895185 573878133 /nfs/dbraw/zinc/87/81/33/573878133.db2.gz BKCAMKWXHIOMOA-SFYZADRCSA-N 0 0 197.234 1.622 10 0 ADAERN C[C@@H]1C[S@@](=O)C[C@H](c2ccoc2)N1 87307717 573878135 /nfs/dbraw/zinc/87/81/35/573878135.db2.gz BJWVLAYUVPUYFO-JPVBRFOXSA-N 0 0 199.275 1.061 10 0 ADAERN CC(C)(C)SC(=O)CO 101695486 573878156 /nfs/dbraw/zinc/87/81/56/573878156.db2.gz PQQRYQJBJQABAY-UHFFFAOYSA-N 0 0 148.227 1.037 10 0 ADAERN C[C@@]1(c2ccoc2)CC(=O)CCO1 87307670 573878164 /nfs/dbraw/zinc/87/81/64/573878164.db2.gz WESRVXRGCJPTGF-JTQLQIEISA-N 0 0 180.203 1.874 10 0 ADAERN Cc1ccsc1CNC#N 87310211 573878172 /nfs/dbraw/zinc/87/81/72/573878172.db2.gz QRYWDUGDRUYLDJ-UHFFFAOYSA-N 0 0 152.222 1.627 10 0 ADAERN C[C@@H](CO)c1cnc([C@@H]2CCCO2)o1 257895186 573878188 /nfs/dbraw/zinc/87/81/88/573878188.db2.gz BKCAMKWXHIOMOA-YUMQZZPRSA-N 0 0 197.234 1.622 10 0 ADAERN Cn1nccc1C[Si](C)(C)C 238551607 573878218 /nfs/dbraw/zinc/87/82/18/573878218.db2.gz PIXPODVAONOJSF-UHFFFAOYSA-N 0 0 168.316 1.840 10 0 ADAERN Cc1ccc2c(c1)C[C@@H](CON)S2 257895510 573878223 /nfs/dbraw/zinc/87/82/23/573878223.db2.gz ABCRRTRYEUPTHN-VIFPVBQESA-N 0 0 195.287 1.902 10 0 ADAERN Cc1c(O)cc(C(C)C)cc1O 238175938 573878234 /nfs/dbraw/zinc/87/82/34/573878234.db2.gz IDIAPTHVYXFGIN-UHFFFAOYSA-N 0 0 166.220 1.891 10 0 ADAERN CC(C)CCCON 76570861 573878235 /nfs/dbraw/zinc/87/82/35/573878235.db2.gz KKWDCGUJYFQAEP-UHFFFAOYSA-N 0 0 117.192 1.313 10 0 ADAERN O=CNc1cccc(Cl)n1 122974988 573878254 /nfs/dbraw/zinc/87/82/54/573878254.db2.gz RSXXINUJPNQSJC-UHFFFAOYSA-N 0 0 156.572 1.303 10 0 ADAERN CCCc1cn2c(n1)C[C@@H](O)CC2 258518575 573878264 /nfs/dbraw/zinc/87/82/64/573878264.db2.gz RUEFHHWHFSUHOQ-VIFPVBQESA-N 0 0 180.251 1.143 10 0 ADAERN Cc1ccc(C(=S)NCO)cc1 238552099 573878288 /nfs/dbraw/zinc/87/82/88/573878288.db2.gz PBRGHIFHDLMNGJ-UHFFFAOYSA-N 0 0 181.260 1.210 10 0 ADAERN C[C@H](c1ccoc1)[NH+]1CC(C(=O)[O-])C1 87307885 573878298 /nfs/dbraw/zinc/87/82/98/573878298.db2.gz IEPLBKGMYZZLHH-SSDOTTSWSA-N 0 0 195.218 1.357 10 0 ADAERN Cc1nc(=N)n(C)c(C)c1C 238552178 573878302 /nfs/dbraw/zinc/87/83/02/573878302.db2.gz GHJOWLMJAKMJLZ-UHFFFAOYSA-N 0 0 151.213 1.054 10 0 ADAERN CCOC(=O)CC[C@@H]1CC[C@@H]1O 259578764 573878315 /nfs/dbraw/zinc/87/83/15/573878315.db2.gz KBVRRTVIEOWMKG-YUMQZZPRSA-N 0 0 172.224 1.101 10 0 ADAERN CC(=O)N(C)[C@H]1CC[C@@H](C)OC1 402362282 573878320 /nfs/dbraw/zinc/87/83/20/573878320.db2.gz DEGOPSCOPVMWEK-APPZFPTMSA-N 0 0 171.240 1.032 10 0 ADAERN NCC(=O)c1ccc2c(c1O)CCC2 258171046 573878347 /nfs/dbraw/zinc/87/83/47/573878347.db2.gz VUMPVMWZYDUIEF-UHFFFAOYSA-N 0 0 191.230 1.022 10 0 ADAERN CC(C)Cc1ccn(C(N)=O)n1 238175854 573878348 /nfs/dbraw/zinc/87/83/48/573878348.db2.gz VCRWATSEUGISSI-UHFFFAOYSA-N 0 0 167.212 1.008 10 0 ADAERN C[C@@H]1CC(=O)N(C2CCCC2)C(=O)N1 87312665 573878358 /nfs/dbraw/zinc/87/83/58/573878358.db2.gz VJNQWHDGKQDNAQ-SSDOTTSWSA-N 0 0 196.250 1.259 10 0 ADAERN C[C@@H]1CN[C@H](c2ccoc2)C[S@@]1=O 87307705 573878363 /nfs/dbraw/zinc/87/83/63/573878363.db2.gz IAQXWPPPJGBHEA-BZTNIEFMSA-N 0 0 199.275 1.061 10 0 ADAERN O=[S@]1CCCN[C@H](c2ccoc2)C1 87307727 573878382 /nfs/dbraw/zinc/87/83/82/573878382.db2.gz DWEKQKAIKNVZRV-TVQRCGJNSA-N 0 0 199.275 1.063 10 0 ADAERN CC(C)(O)CCC1=C[C@H](O)CC1 238176514 573878398 /nfs/dbraw/zinc/87/83/98/573878398.db2.gz QSRCWCUDJGDDRA-SECBINFHSA-N 0 0 170.252 1.619 10 0 ADAERN Cn1cnc2cc(C(C)(C)O)ccc21 258171023 573878399 /nfs/dbraw/zinc/87/83/99/573878399.db2.gz VTWKDGMUIPVYDR-UHFFFAOYSA-N 0 0 190.246 1.801 10 0 ADAERN OCc1cc(-c2ccoc2)n[nH]1 87307927 573878407 /nfs/dbraw/zinc/87/84/07/573878407.db2.gz YQYOUYBGSXCHSE-UHFFFAOYSA-N 0 0 164.164 1.162 10 0 ADAERN CC1(C)O[C@@H](O)C(C)(C)CC1=O 238176488 573878423 /nfs/dbraw/zinc/87/84/23/573878423.db2.gz DVNVLBQEZBAPSE-SSDOTTSWSA-N 0 0 172.224 1.099 10 0 ADAERN Cc1ncc(C(C)(C)C)c(=O)[nH]1 258518767 573878437 /nfs/dbraw/zinc/87/84/37/573878437.db2.gz LLFXCICYTVJQQA-UHFFFAOYSA-N 0 0 166.224 1.788 10 0 ADAERN C[C@@H](O)CC[C@@H](C)[C@@H](C)O 80170523 573878448 /nfs/dbraw/zinc/87/84/48/573878448.db2.gz VWRMHWAYIOHUNG-BWZBUEFSSA-N 0 0 146.230 1.164 10 0 ADAERN C[C@H]1CNC(=O)N(C2CCCC2)C1=O 87312855 573878457 /nfs/dbraw/zinc/87/84/57/573878457.db2.gz ONZIPIZERLPXNF-ZETCQYMHSA-N 0 0 196.250 1.117 10 0 ADAERN CSc1cccc(F)c1CON 258171209 573878458 /nfs/dbraw/zinc/87/84/58/573878458.db2.gz VXNHPIWVRISFLE-UHFFFAOYSA-N 0 0 187.239 1.938 10 0 ADAERN CC1=C[C@@H](O)C[C@@]2(CCCCO2)O1 238176536 573878469 /nfs/dbraw/zinc/87/84/69/573878469.db2.gz PQKJSMNPGAQEBV-NXEZZACHSA-N 0 0 184.235 1.568 10 0 ADAERN c1ccc(CNc2c[nH]nn2)cc1 101734919 573878481 /nfs/dbraw/zinc/87/84/81/573878481.db2.gz YTVFRRODNKRZKU-UHFFFAOYSA-N 0 0 174.207 1.417 10 0 ADAERN O=c1cc(Nc2ccccc2)c1=O 101662917 573878495 /nfs/dbraw/zinc/87/84/95/573878495.db2.gz QRPXTXRYGMLLAZ-UHFFFAOYSA-N 0 0 173.171 1.026 10 0 ADAERN CC1(C)C=C[C@](C)(CO)CO1 238176493 573878531 /nfs/dbraw/zinc/87/85/31/573878531.db2.gz DHQHZQKOKHIEFZ-SECBINFHSA-N 0 0 156.225 1.350 10 0 ADAERN CC(=O)[C@@H]1C[C@H]2CC[C@@H]21 238176690 573878537 /nfs/dbraw/zinc/87/85/37/573878537.db2.gz CFDJXEUHIFCYAH-CSMHCCOUSA-N 0 0 124.183 1.622 10 0 ADAERN CC1(C)CC[C@@H](O)CN1C(=O)C1CC1 258980778 573878550 /nfs/dbraw/zinc/87/85/50/573878550.db2.gz ASXCSANYDMGUKF-SECBINFHSA-N 0 0 197.278 1.158 10 0 ADAERN NOCCc1c(O)cc(F)cc1F 258171169 573878553 /nfs/dbraw/zinc/87/85/53/573878553.db2.gz VWRPECIPKALIAE-UHFFFAOYSA-N 0 0 189.161 1.103 10 0 ADAERN COC(=O)[C@H]1[C@@H](OC)C12CCCC2 259578777 573878554 /nfs/dbraw/zinc/87/85/54/573878554.db2.gz KCANQDRMCVBWCG-HTQZYQBOSA-N 0 0 184.235 1.365 10 0 ADAERN Cc1cnc(OC(C)C)n1C 238165484 573878578 /nfs/dbraw/zinc/87/85/78/573878578.db2.gz DHWNCTJUQSOANF-UHFFFAOYSA-N 0 0 154.213 1.516 10 0 ADAERN CCc1ccsc1CNC#N 87310542 573878589 /nfs/dbraw/zinc/87/85/89/573878589.db2.gz AYMVZZIXXMQVQS-UHFFFAOYSA-N 0 0 166.249 1.881 10 0 ADAERN CC[C@](C)(Cl)CO 101786265 573878596 /nfs/dbraw/zinc/87/85/96/573878596.db2.gz KHRMWZLCKDAFJC-YFKPBYRVSA-N 0 0 122.595 1.386 10 0 ADAERN CC(C)[C@H]([NH3+])C1CCC(C(=O)[O-])CC1 259218576 573878599 /nfs/dbraw/zinc/87/85/99/573878599.db2.gz GUGOWTZSQDTQBS-RTBKNWGFSA-N 0 0 199.294 1.861 10 0 ADAERN CC(=O)[C@@H](c1ccc[nH]1)N(C)C 259217562 573878613 /nfs/dbraw/zinc/87/86/13/573878613.db2.gz JDCXHNBKBXOLND-VIFPVBQESA-N 0 0 166.224 1.206 10 0 ADAERN CC(=O)[C@@H]1C[C@H](O)[C@]2(C)C[C@@H]2C1 238176352 573878664 /nfs/dbraw/zinc/87/86/64/573878664.db2.gz NKVCZJLQDQGUQR-AATLWQCWSA-N 0 0 168.236 1.373 10 0 ADAERN COc1c(O)ccc([C@@H](C)O)c1F 258171006 573878665 /nfs/dbraw/zinc/87/86/65/573878665.db2.gz VTNHEUJCPAYDPS-RXMQYKEDSA-N 0 0 186.182 1.593 10 0 ADAERN CC(C)OCC(=O)c1ccc(O)cc1 80116055 573878677 /nfs/dbraw/zinc/87/86/77/573878677.db2.gz VFHYYGFUHDEAJK-UHFFFAOYSA-N 0 0 194.230 2.000 10 0 ADAERN CC(=O)[C@@H]1C[C@H]2CCCCN2O1 238176590 573878693 /nfs/dbraw/zinc/87/86/93/573878693.db2.gz LCZMMAANLNXIGC-BDAKNGLRSA-N 0 0 169.224 1.134 10 0 ADAERN C=CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 101713203 573878695 /nfs/dbraw/zinc/87/86/95/573878695.db2.gz WSJZKXIZTGKXIM-YUMQZZPRSA-N 0 0 177.203 1.081 10 0 ADAERN CCCn1c(C2CC2)ccc(N)c1=O 257891885 573878720 /nfs/dbraw/zinc/87/87/20/573878720.db2.gz XHNRJTQDLFJYMS-UHFFFAOYSA-N 0 0 192.262 1.718 10 0 ADAERN CCC1(CNN)CCCC1 87315926 573878722 /nfs/dbraw/zinc/87/87/22/573878722.db2.gz UXSIESJKBYAHKK-UHFFFAOYSA-N 0 0 142.246 1.420 10 0 ADAERN C[C@@H]1NC(=O)C[C@@]1(C)c1ccoc1 87307975 573878728 /nfs/dbraw/zinc/87/87/28/573878728.db2.gz SSRAUYHGXFHHJH-OIBJUYFYSA-N 0 0 179.219 1.446 10 0 ADAERN Cn1nc2c(c1N)CN(C(C)(C)C)C2 257892840 573883976 /nfs/dbraw/zinc/88/39/76/573883976.db2.gz XKOLBZWWAXBFHE-UHFFFAOYSA-N 0 0 194.282 1.116 10 0 ADAERN Nc1c[nH]c(Oc2cccc(O)c2)n1 257892686 573884665 /nfs/dbraw/zinc/88/46/65/573884665.db2.gz MRIXSEUAPBCRMO-UHFFFAOYSA-N 0 0 191.190 1.490 10 0 ADAERN O=CNc1cccc(F)c1C=O 238549443 573884669 /nfs/dbraw/zinc/88/46/69/573884669.db2.gz LWFDAPJSORNJNG-UHFFFAOYSA-N 0 0 167.139 1.207 10 0 ADAERN CC(=O)c1ccc(N(C)[C@H](C)CO)o1 131583123 573884671 /nfs/dbraw/zinc/88/46/71/573884671.db2.gz IIJWTMWVHNSGMA-SSDOTTSWSA-N 0 0 197.234 1.299 10 0 ADAERN Nc1n[nH]c2c1C(F)(F)CCC2 257893703 573884674 /nfs/dbraw/zinc/88/46/74/573884674.db2.gz NWMODBQASVLHCO-UHFFFAOYSA-N 0 0 173.166 1.420 10 0 ADAERN C[NH2+][C@@H]([C@@H](C)CC(=O)[O-])C(C)(C)C 259220311 573884013 /nfs/dbraw/zinc/88/40/13/573884013.db2.gz GCMQZDNUBBHXCN-CBAPKCEASA-N 0 0 187.283 1.731 10 0 ADAERN CC[C@H](C)[C@H](O)C1(O)CCCC1 101970927 573884024 /nfs/dbraw/zinc/88/40/24/573884024.db2.gz HDCXFQJQWPFHOZ-IUCAKERBSA-N 0 0 172.268 1.699 10 0 ADAERN N#CN[C@H]1NC=Cc2ccccc21 238554629 573884033 /nfs/dbraw/zinc/88/40/33/573884033.db2.gz ABIUSIOVOKFNCT-SNVBAGLBSA-N 0 0 171.203 1.330 10 0 ADAERN CCCC1=C(C(=O)[O-])C[NH2+]CC1 258519027 573884076 /nfs/dbraw/zinc/88/40/76/573884076.db2.gz MAMKSOFVDDUVHY-UHFFFAOYSA-N 0 0 169.224 1.161 10 0 ADAERN CC1(C)CCC[C@@]1(C[NH3+])CC(=O)[O-] 80265249 573884085 /nfs/dbraw/zinc/88/40/85/573884085.db2.gz DNHPJOLWCOXHOV-JTQLQIEISA-N 0 0 185.267 1.616 10 0 ADAERN CC[C@H](C)[C@H](O)[C@@H](C)COC(C)=O 393568100 573884089 /nfs/dbraw/zinc/88/40/89/573884089.db2.gz QEZCXWOPNCHYOK-NRPADANISA-N 0 0 188.267 1.593 10 0 ADAERN C[C@@H]([C@@H](C)O)N(C)CC(F)(F)F 44161479 573884105 /nfs/dbraw/zinc/88/41/05/573884105.db2.gz LPBHUVKJBIPBNR-NTSWFWBYSA-N 0 0 185.189 1.250 10 0 ADAERN CC(C)c1nnc(C2CC(O)C2)[nH]1 84421324 573884109 /nfs/dbraw/zinc/88/41/09/573884109.db2.gz MUPCLUJBTSPPMC-UHFFFAOYSA-N 0 0 181.239 1.166 10 0 ADAERN Cc1cc(N)c(NCCCO)cc1C 238560508 573884132 /nfs/dbraw/zinc/88/41/32/573884132.db2.gz ZKZAEBZYLKIGBW-UHFFFAOYSA-N 0 0 194.278 1.680 10 0 ADAERN CCNC(=O)[C@H](C)n1cnc(C)c1C 80305240 573884179 /nfs/dbraw/zinc/88/41/79/573884179.db2.gz BUYDYIBVMRLTON-VIFPVBQESA-N 0 0 195.266 1.197 10 0 ADAERN OC1CC(c2nc3cc[nH]cc-3n2)C1 84421421 573884184 /nfs/dbraw/zinc/88/41/84/573884184.db2.gz LHPVCZTWWSLOIC-UHFFFAOYSA-N 0 0 189.218 1.196 10 0 ADAERN Nc1ccc2nc(Cl)ncc2c1 257893500 573884224 /nfs/dbraw/zinc/88/42/24/573884224.db2.gz NSWHMDXKKRSAAP-UHFFFAOYSA-N 0 0 179.610 1.865 10 0 ADAERN Cc1ccc(-c2c(N)n[nH]c2N)cc1 238554700 573884263 /nfs/dbraw/zinc/88/42/63/573884263.db2.gz FWDITFOQKNOSNO-UHFFFAOYSA-N 0 0 188.234 1.550 10 0 ADAERN OC1CC(c2nc(C3CCC3)no2)C1 84421308 573884269 /nfs/dbraw/zinc/88/42/69/573884269.db2.gz CBNRTBFWVRBVAN-UHFFFAOYSA-N 0 0 194.234 1.575 10 0 ADAERN CC[C@H](C)[C@H](O)[C@H](C)COC(C)=O 393568106 573884272 /nfs/dbraw/zinc/88/42/72/573884272.db2.gz QEZCXWOPNCHYOK-XKSSXDPKSA-N 0 0 188.267 1.593 10 0 ADAERN CCOCc1nc(F)c(C)c(F)n1 690000364 573884281 /nfs/dbraw/zinc/88/42/81/573884281.db2.gz DQPUHBGFXAFEIV-UHFFFAOYSA-N 0 0 188.177 1.600 10 0 ADAERN CC1(c2ocnc2CO)CCCC1 87330896 573884286 /nfs/dbraw/zinc/88/42/86/573884286.db2.gz CISWUNWJAMGCNG-UHFFFAOYSA-N 0 0 181.235 1.999 10 0 ADAERN CC(C)(C)Cn1[n-]cc(CC[NH3+])c1=O 257893146 573884318 /nfs/dbraw/zinc/88/43/18/573884318.db2.gz GVJRHWVRIJDLBW-UHFFFAOYSA-N 0 0 197.282 1.136 10 0 ADAERN Cc1csc2c(CO)c[nH]c(=O)c12 238554430 573884321 /nfs/dbraw/zinc/88/43/21/573884321.db2.gz CUUCEBDEPRMBLQ-UHFFFAOYSA-N 0 0 195.243 1.390 10 0 ADAERN CCCc1noc(C2CC(O)C2)n1 84421261 573884324 /nfs/dbraw/zinc/88/43/24/573884324.db2.gz JDDMMOBQPQICOP-UHFFFAOYSA-N 0 0 182.223 1.260 10 0 ADAERN C[C@H](O)[C@H](C)N(C)CC(F)(F)F 44161485 573884338 /nfs/dbraw/zinc/88/43/38/573884338.db2.gz LPBHUVKJBIPBNR-WDSKDSINSA-N 0 0 185.189 1.250 10 0 ADAERN C[C@@H]1C[C@H]1c1noc(C2CC(O)C2)n1 84421394 573884361 /nfs/dbraw/zinc/88/43/61/573884361.db2.gz MSONSUGOOWATPU-LFHVAVFRSA-N 0 0 194.234 1.431 10 0 ADAERN CC1([C@H](O)Cc2ncc[nH]2)CCCC1 87318338 573884379 /nfs/dbraw/zinc/88/43/79/573884379.db2.gz GQSAHOUSWYSGMD-SECBINFHSA-N 0 0 194.278 1.893 10 0 ADAERN Nc1ccc(O)cc1[C@H](O)C1CCC1 257893965 573884385 /nfs/dbraw/zinc/88/43/85/573884385.db2.gz XSVSXVAUSSMUSC-LLVKDONJSA-N 0 0 193.246 1.808 10 0 ADAERN Cc1nc(C2(C)CCCC2)n[nH]1 87317330 573884391 /nfs/dbraw/zinc/88/43/91/573884391.db2.gz UMIVYKKURNUPFJ-UHFFFAOYSA-N 0 0 165.240 1.945 10 0 ADAERN C[C@H](O)[C@@H](C)N(C)CC(F)(F)F 44161488 573884414 /nfs/dbraw/zinc/88/44/14/573884414.db2.gz LPBHUVKJBIPBNR-RITPCOANSA-N 0 0 185.189 1.250 10 0 ADAERN O[C@@H]1CC[C@H]2OC(C3CCC3)=N[C@@H]2C1 257892951 573884439 /nfs/dbraw/zinc/88/44/39/573884439.db2.gz GSPJZFWXCWULFI-OPRDCNLKSA-N 0 0 195.262 1.497 10 0 ADAERN NC(=O)[C@@]1(Cl)Cc2ccccc21 238549492 573884443 /nfs/dbraw/zinc/88/44/43/573884443.db2.gz RCFODJBQYDXOGC-SECBINFHSA-N 0 0 181.622 1.162 10 0 ADAERN CCN1c2ccccc2C[C@H]1CON 258172384 573884444 /nfs/dbraw/zinc/88/44/44/573884444.db2.gz MKWHKCRJBMAADH-JTQLQIEISA-N 0 0 192.262 1.328 10 0 ADAERN CO[C@](C)(CCO)c1ccccc1O 257893921 573884448 /nfs/dbraw/zinc/88/44/48/573884448.db2.gz XRNNGPXNMBKUOV-LLVKDONJSA-N 0 0 196.246 1.636 10 0 ADAERN CC1(C(=O)NC2CC(O)C2)CCCC1 87317759 573884452 /nfs/dbraw/zinc/88/44/52/573884452.db2.gz DQMPSZWEZWRDTB-UHFFFAOYSA-N 0 0 197.278 1.206 10 0 ADAERN CC1(c2nc(N)ns2)CCCC1 87330401 573884468 /nfs/dbraw/zinc/88/44/68/573884468.db2.gz ZQLYRPBZNJPCJX-UHFFFAOYSA-N 0 0 183.280 1.952 10 0 ADAERN CCN1c2ccccc2C[C@@H]1CON 258172387 573884469 /nfs/dbraw/zinc/88/44/69/573884469.db2.gz MKWHKCRJBMAADH-SNVBAGLBSA-N 0 0 192.262 1.328 10 0 ADAERN Cc1ccc(C(=O)NC2CC2)c(N)c1 87332072 573884473 /nfs/dbraw/zinc/88/44/73/573884473.db2.gz MBLFEWBRZRCWLZ-UHFFFAOYSA-N 0 0 190.246 1.469 10 0 ADAERN CC1(c2nc(N)no2)CCCC1 87318924 573884477 /nfs/dbraw/zinc/88/44/77/573884477.db2.gz VMRMUWLDOWXDOR-UHFFFAOYSA-N 0 0 167.212 1.484 10 0 ADAERN CCC1(C(=O)NOC)CCCC1 87317528 573884483 /nfs/dbraw/zinc/88/44/83/573884483.db2.gz DIGNWIHEQLASDT-UHFFFAOYSA-N 0 0 171.240 1.634 10 0 ADAERN O=c1[nH]n(C2CC2)c2c1CSCC2 257893785 573884484 /nfs/dbraw/zinc/88/44/84/573884484.db2.gz XOPGKKSYNZOTBK-UHFFFAOYSA-N 0 0 196.275 1.713 10 0 ADAERN CCc1c[nH]c([C@@H](CC)C(=O)OC)n1 259218801 573884512 /nfs/dbraw/zinc/88/45/12/573884512.db2.gz ZEEVLFFWJOBFIP-MRVPVSSYSA-N 0 0 196.250 1.639 10 0 ADAERN N#CNC[C@@H]1COC2(CCCCC2)O1 238554457 573884517 /nfs/dbraw/zinc/88/45/17/573884517.db2.gz QHIVGRHBCGRVOY-SECBINFHSA-N 0 0 196.250 1.133 10 0 ADAERN NOCc1ccc(C2(CO)CC2)cc1 259577346 573884518 /nfs/dbraw/zinc/88/45/18/573884518.db2.gz XWZQPULLFCMSAN-UHFFFAOYSA-N 0 0 193.246 1.101 10 0 ADAERN Cc1cn2nccc2cc1F 238555137 573884525 /nfs/dbraw/zinc/88/45/25/573884525.db2.gz ULBIIHRHEXWEBC-UHFFFAOYSA-N 0 0 150.156 1.782 10 0 ADAERN C/C=C\CO[C@@H](CC)C(=O)OCC 212955635 573884541 /nfs/dbraw/zinc/88/45/41/573884541.db2.gz CUNHAMNLPUBVAB-WYDVEAGSSA-N 0 0 186.251 1.921 10 0 ADAERN CC(C)c1coc([C@H]2COCCN2)n1 257893899 573884545 /nfs/dbraw/zinc/88/45/45/573884545.db2.gz XRFTXNNIGARRPW-SECBINFHSA-N 0 0 196.250 1.459 10 0 ADAERN C[C@H](N)c1nnc(C2(C)CCCC2)o1 87319023 573884546 /nfs/dbraw/zinc/88/45/46/573884546.db2.gz AUFUYCDIYKUVGQ-ZETCQYMHSA-N 0 0 195.266 1.921 10 0 ADAERN C/C=C/C(=O)N(CCC)OC 393568387 573884569 /nfs/dbraw/zinc/88/45/69/573884569.db2.gz GNDFRMWQUCNPRX-GQCTYLIASA-N 0 0 157.213 1.363 10 0 ADAERN Cc1ccc(C(=O)[O-])c(NCC[NH3+])c1 87331781 573884576 /nfs/dbraw/zinc/88/45/76/573884576.db2.gz JCKRBTSOQCWXKH-UHFFFAOYSA-N 0 0 194.234 1.064 10 0 ADAERN Nc1ccccc1NC1CC(O)C1 84421937 573884582 /nfs/dbraw/zinc/88/45/82/573884582.db2.gz KUWNVNGYUCRDBW-UHFFFAOYSA-N 0 0 178.235 1.204 10 0 ADAERN Cc1cn(C(=O)OC(C)(C)C)cn1 80232267 573884589 /nfs/dbraw/zinc/88/45/89/573884589.db2.gz SBPXDNQPLPAQME-UHFFFAOYSA-N 0 0 182.223 1.975 10 0 ADAERN CC(C)(C)c1noc(C2CC(O)C2)n1 84421225 573884597 /nfs/dbraw/zinc/88/45/97/573884597.db2.gz IKTSLOZHFMMCLJ-UHFFFAOYSA-N 0 0 196.250 1.605 10 0 ADAERN OCCCc1nc2ccccc2o1 80264117 573884617 /nfs/dbraw/zinc/88/46/17/573884617.db2.gz NPIAYZIKGJRGFG-UHFFFAOYSA-N 0 0 177.203 1.753 10 0 ADAERN Cc1cc(NC2CC(O)C2)ccc1N 84421909 573884628 /nfs/dbraw/zinc/88/46/28/573884628.db2.gz KUPDZOJOTLUUJK-UHFFFAOYSA-N 0 0 192.262 1.512 10 0 ADAERN Nc1cccc(-c2ccncc2)c1N 145022209 573884632 /nfs/dbraw/zinc/88/46/32/573884632.db2.gz IBXWZWVVMSKAQO-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN C/C=C\C[C@@]1(C(=O)[O-])CC[NH2+]C1 211751811 573884633 /nfs/dbraw/zinc/88/46/33/573884633.db2.gz JVEWZMGXBAZTLC-PKRMOACSSA-N 0 0 169.224 1.017 10 0 ADAERN CCNC(=O)c1ccc(C)cc1NC 87332097 573884647 /nfs/dbraw/zinc/88/46/47/573884647.db2.gz MISTUDZRWUJKFM-UHFFFAOYSA-N 0 0 192.262 1.786 10 0 ADAERN COCNc1cc(F)ccc1F 259218700 573885933 /nfs/dbraw/zinc/88/59/33/573885933.db2.gz XPUWYMPHVYPTRT-UHFFFAOYSA-N 0 0 173.162 1.981 10 0 ADAERN OCCCc1nc([C@@H]2CCOC2)co1 258171896 573885937 /nfs/dbraw/zinc/88/59/37/573885937.db2.gz UJAJQJITRHXGHZ-MRVPVSSYSA-N 0 0 197.234 1.103 10 0 ADAERN N[C@H](c1ccoc1)c1ncc[nH]1 87340566 573885943 /nfs/dbraw/zinc/88/59/43/573885943.db2.gz VVLMRHOMPYGIGO-SSDOTTSWSA-N 0 0 163.180 1.051 10 0 ADAERN COc1cc[nH]c1 101987888 573886636 /nfs/dbraw/zinc/88/66/36/573886636.db2.gz OTODBDQJLMYYKQ-UHFFFAOYSA-N 0 0 97.117 1.023 10 0 ADAERN C[C@@H](O)c1cn(C)c2ccc(O)cc12 257893328 573885948 /nfs/dbraw/zinc/88/59/48/573885948.db2.gz LMZGLWSYIHKUQQ-SSDOTTSWSA-N 0 0 191.230 1.937 10 0 ADAERN CC(C)C[C@H](C)C(=O)c1ncn(C)n1 714767595 573885964 /nfs/dbraw/zinc/88/59/64/573885964.db2.gz BSUZNLHYEKKENU-QMMMGPOBSA-N 0 0 195.266 1.680 10 0 ADAERN Nc1cc(C2CCCC2)on1 84426688 573885974 /nfs/dbraw/zinc/88/59/74/573885974.db2.gz SXLATPWUODSFIA-UHFFFAOYSA-N 0 0 152.197 1.914 10 0 ADAERN C[C@H]1C[C@H]1c1noc(C2CC(O)C2)n1 84421395 573886011 /nfs/dbraw/zinc/88/60/11/573886011.db2.gz MSONSUGOOWATPU-FACXLHOTSA-N 0 0 194.234 1.431 10 0 ADAERN CC(C)C(=O)C1CCC(=O)CC1 223627883 573886012 /nfs/dbraw/zinc/88/60/12/573886012.db2.gz RENRGUMPJBEFDL-UHFFFAOYSA-N 0 0 168.236 1.971 10 0 ADAERN O[C@@H](CC1CCC1)c1ncc[nH]1 87339980 573886063 /nfs/dbraw/zinc/88/60/63/573886063.db2.gz RXAMXUBVAYVLSQ-QMMMGPOBSA-N 0 0 166.224 1.633 10 0 ADAERN N#CNC[C@H]1COC2(CCCCC2)O1 238554487 573886064 /nfs/dbraw/zinc/88/60/64/573886064.db2.gz QHIVGRHBCGRVOY-VIFPVBQESA-N 0 0 196.250 1.133 10 0 ADAERN CNc1cncc(N(C)C)c1 84426681 573886065 /nfs/dbraw/zinc/88/60/65/573886065.db2.gz SHCSEAAQAJPAQL-UHFFFAOYSA-N 0 0 151.213 1.189 10 0 ADAERN OCc1nc(-c2cccc(F)c2)co1 257892928 573886080 /nfs/dbraw/zinc/88/60/80/573886080.db2.gz XMTYFZDMRBYOKI-UHFFFAOYSA-N 0 0 193.177 1.973 10 0 ADAERN C[N@@H+]1CC[C@H](CC2(C(=O)[O-])CC2)C1 259219555 573886117 /nfs/dbraw/zinc/88/61/17/573886117.db2.gz UBXIBMRKCCNVLK-MRVPVSSYSA-N 0 0 183.251 1.193 10 0 ADAERN N#CNc1cccc2[nH]cnc12 238554677 573886125 /nfs/dbraw/zinc/88/61/25/573886125.db2.gz UVXHYUCAIOULEL-UHFFFAOYSA-N 0 0 158.164 1.456 10 0 ADAERN CC(=O)CN1O[C@](C)(C(C)C)CC1=O 257892901 573886127 /nfs/dbraw/zinc/88/61/27/573886127.db2.gz URYMLORRZVCOQT-JTQLQIEISA-N 0 0 199.250 1.154 10 0 ADAERN CC1(C)CC(=O)CC[C@H]1CO 238179914 573886132 /nfs/dbraw/zinc/88/61/32/573886132.db2.gz LPZGGYBRIYUNGQ-ZETCQYMHSA-N 0 0 156.225 1.374 10 0 ADAERN CC1=NO[C@@H]2CCCCC(=O)[C@H]12 144910567 573886144 /nfs/dbraw/zinc/88/61/44/573886144.db2.gz BJMZAEIFIHKGBE-BDAKNGLRSA-N 0 0 167.208 1.520 10 0 ADAERN Cc1cccc(C[C@@H]2CNC(=O)C2)c1 238554448 573886145 /nfs/dbraw/zinc/88/61/45/573886145.db2.gz ATZBYCPHWOFNPG-NSHDSACASA-N 0 0 189.258 1.674 10 0 ADAERN COC(=O)C[C@](C)(CO)C(C)(C)C 257893868 573886146 /nfs/dbraw/zinc/88/61/46/573886146.db2.gz XQLAWMKGYDZUQZ-SNVBAGLBSA-N 0 0 188.267 1.594 10 0 ADAERN C[C@H](O)Cc1cccc(C2COC2)c1 258171149 573886154 /nfs/dbraw/zinc/88/61/54/573886154.db2.gz VWBWLFVARPOIGV-VIFPVBQESA-N 0 0 192.258 1.724 10 0 ADAERN CC1CCC2(CC1)CC(=O)N(C)C2=O 238180001 573886170 /nfs/dbraw/zinc/88/61/70/573886170.db2.gz WATONKHNIIHSMX-UHFFFAOYSA-N 0 0 195.262 1.572 10 0 ADAERN CCc1cc(NC)nnc1C 84426663 573886171 /nfs/dbraw/zinc/88/61/71/573886171.db2.gz ADYQLOCDISPHFJ-UHFFFAOYSA-N 0 0 151.213 1.389 10 0 ADAERN OCC[C@H]1CNc2ccc(O)cc2C1 257893890 573886174 /nfs/dbraw/zinc/88/61/74/573886174.db2.gz XRDLBSWQDKFJDD-MRVPVSSYSA-N 0 0 193.246 1.359 10 0 ADAERN OC1CC(c2nc3cccnc3[nH]2)C1 84421413 573886190 /nfs/dbraw/zinc/88/61/90/573886190.db2.gz PINCVLFUPGRCCB-UHFFFAOYSA-N 0 0 189.218 1.196 10 0 ADAERN Cc1cn2cc(CO)cc2c(Cl)n1 238554105 573886195 /nfs/dbraw/zinc/88/61/95/573886195.db2.gz FJZINWYELAUZBK-UHFFFAOYSA-N 0 0 196.637 1.788 10 0 ADAERN OC1CC(c2nc3ccccc3[nH]2)C1 84421404 573886201 /nfs/dbraw/zinc/88/62/01/573886201.db2.gz OTZDNDCOGBVTJX-UHFFFAOYSA-N 0 0 188.230 1.801 10 0 ADAERN C[C@H]([NH3+])c1csc(-c2ncc[nH]2)n1 87342476 573886210 /nfs/dbraw/zinc/88/62/10/573886210.db2.gz AYADPXPGIJWFQN-YFKPBYRVSA-N 0 0 194.263 1.553 10 0 ADAERN CC1(C)CC(=O)CCCCCC(=O)N1 238179589 573886228 /nfs/dbraw/zinc/88/62/28/573886228.db2.gz JQVBQWQLEWEOLM-UHFFFAOYSA-N 0 0 197.278 1.805 10 0 ADAERN N#CNC1=NC2C[C@@H]3CC1C[C@H](C2)C3 238554345 573886242 /nfs/dbraw/zinc/88/62/42/573886242.db2.gz SWFMEKMYDBIJSV-BQKDNTBBSA-N 0 0 189.262 1.664 10 0 ADAERN O[C@@H](CC1CCOCC1)c1ncc[nH]1 87340294 573886256 /nfs/dbraw/zinc/88/62/56/573886256.db2.gz PECWFCHSNDXZET-VIFPVBQESA-N 0 0 196.250 1.260 10 0 ADAERN NC(=O)c1ccc(OC2CCC2)nc1 238549500 573886271 /nfs/dbraw/zinc/88/62/71/573886271.db2.gz WWDISZJVWKKOTR-UHFFFAOYSA-N 0 0 192.218 1.112 10 0 ADAERN O[C@H](c1ccsc1)c1ncc[nH]1 87340113 573886273 /nfs/dbraw/zinc/88/62/73/573886273.db2.gz YEIUQFSYSFNRME-SSDOTTSWSA-N 0 0 180.232 1.553 10 0 ADAERN CC1=C[C@H](O)[C@H]2CCC[C@@H]12 238182198 573886274 /nfs/dbraw/zinc/88/62/74/573886274.db2.gz JVGCIEAHCLNJQH-CIUDSAMLSA-N 0 0 138.210 1.724 10 0 ADAERN COCCc1cn2c(n1)CC[C@@H](C)C2 258172587 573886277 /nfs/dbraw/zinc/88/62/77/573886277.db2.gz DYNNIGBKPGCPHX-SECBINFHSA-N 0 0 194.278 1.654 10 0 ADAERN CC1=NO[C@@H]2CCCCC(=O)[C@@H]12 144910135 573886286 /nfs/dbraw/zinc/88/62/86/573886286.db2.gz BJMZAEIFIHKGBE-RKDXNWHRSA-N 0 0 167.208 1.520 10 0 ADAERN CCSC(=O)c1cc(N)nn1CC 258171147 573886291 /nfs/dbraw/zinc/88/62/91/573886291.db2.gz RQGVFXXZBDPAAB-UHFFFAOYSA-N 0 0 199.279 1.379 10 0 ADAERN Cc1nc(-c2ncc[nH]2)nc(N)c1C 87342788 573886295 /nfs/dbraw/zinc/88/62/95/573886295.db2.gz WOCRCRALMWUUJL-UHFFFAOYSA-N 0 0 189.222 1.066 10 0 ADAERN CCSC1=NC(C)=CS1(=O)=O 257892698 573886296 /nfs/dbraw/zinc/88/62/96/573886296.db2.gz MRTALGJTZTWYHC-UHFFFAOYSA-N 0 0 191.277 1.385 10 0 ADAERN O=C(c1cncc(F)c1)c1ncc[nH]1 87339355 573886303 /nfs/dbraw/zinc/88/63/03/573886303.db2.gz VKNXAEVDUHJHQJ-UHFFFAOYSA-N 0 0 191.165 1.175 10 0 ADAERN O[C@@H]1CC[C@@H]2OC(C3CCC3)=N[C@H]2C1 257892953 573886304 /nfs/dbraw/zinc/88/63/04/573886304.db2.gz GSPJZFWXCWULFI-UTLUCORTSA-N 0 0 195.262 1.497 10 0 ADAERN CC1(C)CC(=O)CC[C@@H]1CO 238179817 573886311 /nfs/dbraw/zinc/88/63/11/573886311.db2.gz LPZGGYBRIYUNGQ-SSDOTTSWSA-N 0 0 156.225 1.374 10 0 ADAERN Cc1ccc(-n2ccnc2C[NH3+])nc1 87343392 573886314 /nfs/dbraw/zinc/88/63/14/573886314.db2.gz LKRPXAPLEFMBGJ-UHFFFAOYSA-N 0 0 188.234 1.034 10 0 ADAERN C[C@H](CO)COc1cccc(F)c1 41202608 573886324 /nfs/dbraw/zinc/88/63/24/573886324.db2.gz FGTBEQSOXLZDCM-MRVPVSSYSA-N 0 0 184.210 1.833 10 0 ADAERN O[C@H](Cc1nccs1)c1ncc[nH]1 87339997 573886325 /nfs/dbraw/zinc/88/63/25/573886325.db2.gz MJKVCDXTLCSOOQ-ZCFIWIBFSA-N 0 0 195.247 1.142 10 0 ADAERN CCn1[nH]c(=O)c2cccc(OC)c21 257893896 573886337 /nfs/dbraw/zinc/88/63/37/573886337.db2.gz XRFNJWUKFUUXRJ-UHFFFAOYSA-N 0 0 192.218 1.358 10 0 ADAERN C[C@H](O)c1cnc(-c2ncc[nH]2)s1 87342592 573886351 /nfs/dbraw/zinc/88/63/51/573886351.db2.gz SYYSDFYOHAFVFX-YFKPBYRVSA-N 0 0 195.247 1.587 10 0 ADAERN O=C1CCOc2cc(Cl)ncc21 238554828 573886352 /nfs/dbraw/zinc/88/63/52/573886352.db2.gz ORUOJRYXLLBRGB-UHFFFAOYSA-N 0 0 183.594 1.700 10 0 ADAERN OC(O)c1nccc2ccccc12 80217764 573886357 /nfs/dbraw/zinc/88/63/57/573886357.db2.gz KNPHKVYHWIIFEB-UHFFFAOYSA-N 0 0 175.187 1.218 10 0 ADAERN C[C@@H](O)c1cccc(CON)c1 259579458 573886362 /nfs/dbraw/zinc/88/63/62/573886362.db2.gz YASUZCOZKPBVFG-SSDOTTSWSA-N 0 0 167.208 1.130 10 0 ADAERN CCNc1nc(-c2ncc[nH]2)ns1 87344597 573886369 /nfs/dbraw/zinc/88/63/69/573886369.db2.gz IJMDYTYJVQVMHZ-UHFFFAOYSA-N 0 0 195.251 1.360 10 0 ADAERN FC(F)(F)C(F)(F)[C@H]1CCCN1 238554832 573886380 /nfs/dbraw/zinc/88/63/80/573886380.db2.gz BPJWQTJOXMPBPW-SCSAIBSYSA-N 0 0 189.127 1.936 10 0 ADAERN CC(=O)[C@H](O)C1CCC(C)CC1 238179498 573886394 /nfs/dbraw/zinc/88/63/94/573886394.db2.gz WYEXTMQIGRPKRJ-GDRRJGKNSA-N 0 0 170.252 1.763 10 0 ADAERN O[C@@H](Cc1ccccn1)c1ncc[nH]1 87339618 573886400 /nfs/dbraw/zinc/88/64/00/573886400.db2.gz PALNHIXVMIHDGH-VIFPVBQESA-N 0 0 189.218 1.081 10 0 ADAERN c1cc2c(cn1)nnn2[C@H]1CCCO1 258172634 573886404 /nfs/dbraw/zinc/88/64/04/573886404.db2.gz DYXVQCZYLBCEMJ-SECBINFHSA-N 0 0 190.206 1.135 10 0 ADAERN C[C@H](O)c1cn(C)c2ccc(O)cc12 257893329 573886407 /nfs/dbraw/zinc/88/64/07/573886407.db2.gz LMZGLWSYIHKUQQ-ZETCQYMHSA-N 0 0 191.230 1.937 10 0 ADAERN CC(C)[C@H]1SC(=O)NC1=S 238182233 573886428 /nfs/dbraw/zinc/88/64/28/573886428.db2.gz SYITZHGSMCENTO-SCSAIBSYSA-N 0 0 175.278 1.795 10 0 ADAERN O=C(Cc1ccsc1)c1ncc[nH]1 87339595 573886434 /nfs/dbraw/zinc/88/64/34/573886434.db2.gz QJVIIXORKSALMU-UHFFFAOYSA-N 0 0 192.243 1.897 10 0 ADAERN CC1(C)CC(=O)CCCC(=O)N1 238179534 573886457 /nfs/dbraw/zinc/88/64/57/573886457.db2.gz VRSJBSKOOPASLI-UHFFFAOYSA-N 0 0 169.224 1.024 10 0 ADAERN CC[C@@H](C)[C@H](O)c1ncc[nH]1 87340206 573886463 /nfs/dbraw/zinc/88/64/63/573886463.db2.gz YDBTXOOTRCMFHJ-RQJHMYQMSA-N 0 0 154.213 1.489 10 0 ADAERN CCCCCN1CC[C@H](O)CC1=O 259219603 573886472 /nfs/dbraw/zinc/88/64/72/573886472.db2.gz CXBYMFGRPYQXED-VIFPVBQESA-N 0 0 185.267 1.160 10 0 ADAERN O=C(c1ccoc1)c1ncc[nH]1 87339278 573886480 /nfs/dbraw/zinc/88/64/80/573886480.db2.gz NRZCURKNDCMHPD-UHFFFAOYSA-N 0 0 162.148 1.234 10 0 ADAERN C[NH2+][C@H](C1CCC1)[C@H](C)C(=O)[O-] 259220323 573886490 /nfs/dbraw/zinc/88/64/90/573886490.db2.gz GCNGJSOWHBQGSN-XPUUQOCRSA-N 0 0 171.240 1.095 10 0 ADAERN COCN(C)CCc1ccc(C)o1 258984647 573886504 /nfs/dbraw/zinc/88/65/04/573886504.db2.gz CTZIKZGUGFSEAD-UHFFFAOYSA-N 0 0 183.251 1.666 10 0 ADAERN O=C(CF)NCc1ccccc1 145049637 573886524 /nfs/dbraw/zinc/88/65/24/573886524.db2.gz ABRVFOREYQBTGS-UHFFFAOYSA-N 0 0 167.183 1.272 10 0 ADAERN C[C@H](O)c1noc(Cc2ccco2)n1 257893044 573886530 /nfs/dbraw/zinc/88/65/30/573886530.db2.gz CQSAAZIOGYPCGZ-LURJTMIESA-N 0 0 194.190 1.307 10 0 ADAERN COC(=O)C[C@@](C)(CO)C(C)(C)C 257893866 573886536 /nfs/dbraw/zinc/88/65/36/573886536.db2.gz XQLAWMKGYDZUQZ-JTQLQIEISA-N 0 0 188.267 1.594 10 0 ADAERN CC(C)Cc1ncnc2[nH]cnc12 238179579 573886538 /nfs/dbraw/zinc/88/65/38/573886538.db2.gz WEXDVVAOKTYVPM-UHFFFAOYSA-N 0 0 176.223 1.551 10 0 ADAERN NOC[C@@H]1CSc2ccc(O)cc21 258173269 573886539 /nfs/dbraw/zinc/88/65/39/573886539.db2.gz SGTNNGYZIFWEMF-ZCFIWIBFSA-N 0 0 197.259 1.472 10 0 ADAERN O[C@H](Cc1ccccn1)c1ncc[nH]1 87339620 573886546 /nfs/dbraw/zinc/88/65/46/573886546.db2.gz PALNHIXVMIHDGH-SECBINFHSA-N 0 0 189.218 1.081 10 0 ADAERN CC(=O)c1cc2c(nc1N)CSC2 257892891 573886553 /nfs/dbraw/zinc/88/65/53/573886553.db2.gz XMCPZOSWDSWXBM-UHFFFAOYSA-N 0 0 194.259 1.613 10 0 ADAERN Clc1ccnc(-c2ncc[nH]2)n1 87339212 573886557 /nfs/dbraw/zinc/88/65/57/573886557.db2.gz NGXFLPPNBQCBBK-UHFFFAOYSA-N 0 0 180.598 1.520 10 0 ADAERN O=CC1=NO[C@H](c2cccc(F)c2)C1 257893876 573886561 /nfs/dbraw/zinc/88/65/61/573886561.db2.gz XQQBJIBBFCELBT-JTQLQIEISA-N 0 0 193.177 1.842 10 0 ADAERN O[C@@H](c1ccoc1)c1ncc[nH]1 87340176 573886562 /nfs/dbraw/zinc/88/65/62/573886562.db2.gz LFHVKEZUOFQPHJ-ZETCQYMHSA-N 0 0 164.164 1.084 10 0 ADAERN COCc1ccc(F)c(CCCO)c1 258171746 573886573 /nfs/dbraw/zinc/88/65/73/573886573.db2.gz QEQCYNAZDUNPHF-UHFFFAOYSA-N 0 0 198.237 1.897 10 0 ADAERN N[C@@H](c1ccoc1)c1ncc[nH]1 87340564 573886614 /nfs/dbraw/zinc/88/66/14/573886614.db2.gz VVLMRHOMPYGIGO-ZETCQYMHSA-N 0 0 163.180 1.051 10 0 ADAERN CCC/C=C(\N)C(=O)OCC 144822675 573886616 /nfs/dbraw/zinc/88/66/16/573886616.db2.gz DYQMTOXEOYQBOT-SREVYHEPSA-N 0 0 157.213 1.192 10 0 ADAERN OC/C=C/CCCCCO 101929366 573886617 /nfs/dbraw/zinc/88/66/17/573886617.db2.gz YXGIMDJXGXLIGP-HWKANZROSA-N 0 0 144.214 1.088 10 0 ADAERN ONCc1cc2c(cc1F)COCO2 258171723 573885927 /nfs/dbraw/zinc/88/59/27/573885927.db2.gz QEEGNNJFOQCHSA-UHFFFAOYSA-N 0 0 199.181 1.171 10 0 ADAERN CC[C@H](C)[C@@H](O)[C@@H](C)COC(C)=O 393568102 573885928 /nfs/dbraw/zinc/88/59/28/573885928.db2.gz QEZCXWOPNCHYOK-OYNCUSHFSA-N 0 0 188.267 1.593 10 0 ADAERN C[NH2+]Cc1cnc(-c2ncc[nH]2)s1 87342444 573890137 /nfs/dbraw/zinc/89/01/37/573890137.db2.gz XIEUVGKLWOAXBG-UHFFFAOYSA-N 0 0 194.263 1.253 10 0 ADAERN CCC[C@H](O)[C@H](CC)n1cncn1 44183223 573890144 /nfs/dbraw/zinc/89/01/44/573890144.db2.gz HYLJRSJMBKXHKH-IUCAKERBSA-N 0 0 183.255 1.390 10 0 ADAERN OC1CC(Nc2ccc(F)cn2)C1 84443490 573890152 /nfs/dbraw/zinc/89/01/52/573890152.db2.gz MRGVFVSGVYRXMO-UHFFFAOYSA-N 0 0 182.198 1.156 10 0 ADAERN CCOc1ccccc1[C@H](O)COC 44192792 573890158 /nfs/dbraw/zinc/89/01/58/573890158.db2.gz NRTAMFWFVAZUAA-SNVBAGLBSA-N 0 0 196.246 1.765 10 0 ADAERN Cc1ccncc1[C@@H](O)c1ncc[nH]1 87339817 573890162 /nfs/dbraw/zinc/89/01/62/573890162.db2.gz BGFPUPIKLONAAA-SECBINFHSA-N 0 0 189.218 1.195 10 0 ADAERN CN[C@@H](c1ccoc1)c1ncc[nH]1 87341290 573890166 /nfs/dbraw/zinc/89/01/66/573890166.db2.gz MOAXNGVRDHJMIG-QMMMGPOBSA-N 0 0 177.207 1.312 10 0 ADAERN CC(=O)Oc1ccc(C)cc1O 80350512 573890177 /nfs/dbraw/zinc/89/01/77/573890177.db2.gz DJJVXPDVLUSVIZ-UHFFFAOYSA-N 0 0 166.176 1.626 10 0 ADAERN OCC[C@@H]1CNc2ccc(F)cc2C1 257894831 573890183 /nfs/dbraw/zinc/89/01/83/573890183.db2.gz XTVCAWLIDVHWHZ-QMMMGPOBSA-N 0 0 195.237 1.792 10 0 ADAERN C[C@H](O)c1csc(-c2ncc[nH]2)n1 87342596 573890189 /nfs/dbraw/zinc/89/01/89/573890189.db2.gz VVVWXKLTKPCBRX-YFKPBYRVSA-N 0 0 195.247 1.587 10 0 ADAERN COc1nc(-c2ccncc2)c[nH]1 259221058 573890191 /nfs/dbraw/zinc/89/01/91/573890191.db2.gz ZJFSOKYGEISECZ-UHFFFAOYSA-N 0 0 175.191 1.480 10 0 ADAERN Cc1n[nH]cc1CNC(=O)OC(C)C 44240534 573890205 /nfs/dbraw/zinc/89/02/05/573890205.db2.gz LJVNUYWFAWEXGM-UHFFFAOYSA-N 0 0 197.238 1.353 10 0 ADAERN O[C@H](CC1CCOCC1)c1ncc[nH]1 87340291 573890206 /nfs/dbraw/zinc/89/02/06/573890206.db2.gz PECWFCHSNDXZET-SECBINFHSA-N 0 0 196.250 1.260 10 0 ADAERN CC[C@@H](CO)SC 80344677 573890207 /nfs/dbraw/zinc/89/02/07/573890207.db2.gz HOTCDZJYDMTSAI-YFKPBYRVSA-N 0 0 120.217 1.120 10 0 ADAERN Nc1ccc(=O)n2cccc(Cl)c12 258174003 573890244 /nfs/dbraw/zinc/89/02/44/573890244.db2.gz ULYCCXSXIZERSH-UHFFFAOYSA-N 0 0 194.621 1.535 10 0 ADAERN [NH3+]C1(c2cc([O-])c(F)c(F)c2)CC1 238562628 573890247 /nfs/dbraw/zinc/89/02/47/573890247.db2.gz GXQBSKQMAHDHOC-UHFFFAOYSA-N 0 0 185.173 1.618 10 0 ADAERN CC[C@@H]1CCC(C(C)=O)=C(O)C1 197107665 573890255 /nfs/dbraw/zinc/89/02/55/573890255.db2.gz DNZBUOKXNWFRGN-BDAKNGLRSA-N 0 0 168.236 1.971 10 0 ADAERN COc1cc(NC(N)=S)ccc1O 102091647 573890263 /nfs/dbraw/zinc/89/02/63/573890263.db2.gz YPRJPMAKCALTAY-UHFFFAOYSA-N 0 0 198.247 1.056 10 0 ADAERN C[C@@H]1Cc2ccc(C=O)cc2O1 76594199 573890267 /nfs/dbraw/zinc/89/02/67/573890267.db2.gz AZNSOIPQHUZYJL-SSDOTTSWSA-N 0 0 162.188 1.823 10 0 ADAERN CSCCC(=O)CF 197103984 573890268 /nfs/dbraw/zinc/89/02/68/573890268.db2.gz PEUZBLNCMBHLRY-UHFFFAOYSA-N 0 0 136.191 1.278 10 0 ADAERN O[C@@H](CC1CC1)c1ncc[nH]1 87339897 573890270 /nfs/dbraw/zinc/89/02/70/573890270.db2.gz FRANOGMPLHATST-ZETCQYMHSA-N 0 0 152.197 1.243 10 0 ADAERN O[C@@H](c1ncc[nH]1)C1CCCC1 87340357 573890278 /nfs/dbraw/zinc/89/02/78/573890278.db2.gz XTCXWCKNUXIIKZ-MRVPVSSYSA-N 0 0 166.224 1.633 10 0 ADAERN Cc1cc(Cl)nc(-c2ncc[nH]2)n1 87339203 573890286 /nfs/dbraw/zinc/89/02/86/573890286.db2.gz UZHIPMNYUKZUJA-UHFFFAOYSA-N 0 0 194.625 1.829 10 0 ADAERN C[C@H]1CCO[C@H]1C(=O)c1ccco1 123005470 573890291 /nfs/dbraw/zinc/89/02/91/573890291.db2.gz NDPREJZHOYBQNA-OIBJUYFYSA-N 0 0 180.203 1.887 10 0 ADAERN Cc1cccnc1-n1ccnc1C[NH3+] 87343347 573890292 /nfs/dbraw/zinc/89/02/92/573890292.db2.gz GPPSTQPNDRVUAT-UHFFFAOYSA-N 0 0 188.234 1.034 10 0 ADAERN CC(=O)C1=C(O)C[C@H](C)CC1 197107916 573890294 /nfs/dbraw/zinc/89/02/94/573890294.db2.gz GUVXBBCECQQPQU-HTRCEHHLSA-N 0 0 154.209 1.581 10 0 ADAERN O=C(NC1CC(O)C1)c1cccs1 84442692 573890329 /nfs/dbraw/zinc/89/03/29/573890329.db2.gz JMVUFHVFZFIGAT-UHFFFAOYSA-N 0 0 197.259 1.001 10 0 ADAERN O[C@@H]1CC[C@H]2CSC[C@@H]2C1 76593237 573890331 /nfs/dbraw/zinc/89/03/31/573890331.db2.gz NRPFGTDXKKZMHO-BIIVOSGPSA-N 0 0 158.266 1.510 10 0 ADAERN CCC(=O)C1=C(O)[C@H](C)CCC1 197109372 573890334 /nfs/dbraw/zinc/89/03/34/573890334.db2.gz YVDGQKIECPOBCE-SFYZADRCSA-N 0 0 168.236 1.971 10 0 ADAERN CNC(=O)c1ccc(NC2CC2)cc1 144924715 573890336 /nfs/dbraw/zinc/89/03/36/573890336.db2.gz RKMPZQUVSXXXGP-UHFFFAOYSA-N 0 0 190.246 1.621 10 0 ADAERN CCCc1cc(C=O)c(O)cc1O 102257473 573890354 /nfs/dbraw/zinc/89/03/54/573890354.db2.gz HIZQQWKWEYMFMU-UHFFFAOYSA-N 0 0 180.203 1.863 10 0 ADAERN C[C@H](C(=O)c1ncn(C)n1)C1CC1 714768430 573890372 /nfs/dbraw/zinc/89/03/72/573890372.db2.gz LJYKNZAVUVUKBD-LURJTMIESA-N 0 0 179.223 1.044 10 0 ADAERN CN(CNN)c1c[nH]c2ccccc12 258986824 573890384 /nfs/dbraw/zinc/89/03/84/573890384.db2.gz CVXINQYEBOMTEE-UHFFFAOYSA-N 0 0 190.250 1.025 10 0 ADAERN C[C@H]1Cc2ccc(C=O)cc2O1 76594202 573890394 /nfs/dbraw/zinc/89/03/94/573890394.db2.gz AZNSOIPQHUZYJL-ZETCQYMHSA-N 0 0 162.188 1.823 10 0 ADAERN O[C@H](c1ccoc1)c1ncc[nH]1 87340178 573890398 /nfs/dbraw/zinc/89/03/98/573890398.db2.gz LFHVKEZUOFQPHJ-SSDOTTSWSA-N 0 0 164.164 1.084 10 0 ADAERN C[C@@](O)(CO)c1ccc(F)cc1F 80343972 573890404 /nfs/dbraw/zinc/89/04/04/573890404.db2.gz QMLUXQCUFDFMLY-SECBINFHSA-N 0 0 188.173 1.165 10 0 ADAERN C[C@H]1Sc2cccc(N)c2NC1=O 259221153 573890415 /nfs/dbraw/zinc/89/04/15/573890415.db2.gz LWHWTTSNNQIRRT-RXMQYKEDSA-N 0 0 194.259 1.702 10 0 ADAERN CC(C)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C1CC1 238180703 573890458 /nfs/dbraw/zinc/89/04/58/573890458.db2.gz GWHCEZAFJABYEJ-ZJUUUORDSA-N 0 0 197.278 1.580 10 0 ADAERN C[C@@H](F)[C@]([NH3+])(C(=O)[O-])C(C)(C)C 257894757 573890469 /nfs/dbraw/zinc/89/04/69/573890469.db2.gz NYZDTTDDWNBHMV-XRGYYRRGSA-N 0 0 177.219 1.173 10 0 ADAERN C[C@H](O)COCC(F)(F)C(F)F 44190673 573890478 /nfs/dbraw/zinc/89/04/78/573890478.db2.gz FMVROEVTFCPWOZ-BYPYZUCNSA-N 0 0 190.136 1.284 10 0 ADAERN C[C@H](CO)c1ccc2cnncc2c1 258173632 573890489 /nfs/dbraw/zinc/89/04/89/573890489.db2.gz VYZQXAQRYZGHCV-MRVPVSSYSA-N 0 0 188.230 1.726 10 0 ADAERN O=C(COC1CCC1)N1CCCCO1 717678430 573890491 /nfs/dbraw/zinc/89/04/91/573890491.db2.gz OMWLDUUVCJTDSP-UHFFFAOYSA-N 0 0 199.250 1.110 10 0 ADAERN CCC(=O)C1=C(O)CCC[C@@H]1C 197108263 573890498 /nfs/dbraw/zinc/89/04/98/573890498.db2.gz LZEQGVKQSVYRFE-OIBJUYFYSA-N 0 0 168.236 1.971 10 0 ADAERN CC[C@H](O)c1noc([C@H]2C[C@H]2OC)n1 690070454 573890507 /nfs/dbraw/zinc/89/05/07/573890507.db2.gz AXYFBIHRCMKSCC-LYFYHCNISA-N 0 0 198.222 1.015 10 0 ADAERN CCc1ccc([C@@H](O)COC)cc1 44192633 573890515 /nfs/dbraw/zinc/89/05/15/573890515.db2.gz QXGZWZVHIIIGSM-NSHDSACASA-N 0 0 180.247 1.929 10 0 ADAERN Clc1nc(-c2ncc[nH]2)ns1 87344594 573890523 /nfs/dbraw/zinc/89/05/23/573890523.db2.gz QZRATUICEODEOY-UHFFFAOYSA-N 0 0 186.627 1.582 10 0 ADAERN OC1CC(Nc2ccc(Cl)cn2)C1 84443615 573890525 /nfs/dbraw/zinc/89/05/25/573890525.db2.gz GWAXEPUPFHJLOH-UHFFFAOYSA-N 0 0 198.653 1.670 10 0 ADAERN OCCn1ccc2c(CO)cccc21 80334525 573890557 /nfs/dbraw/zinc/89/05/57/573890557.db2.gz MPIPXLNTWLBOBK-UHFFFAOYSA-N 0 0 191.230 1.126 10 0 ADAERN CC12CCC(CC1)C[C@H]2O 238180559 573890565 /nfs/dbraw/zinc/89/05/65/573890565.db2.gz UNDCREPVZUXXPG-QJAFJHJLSA-N 0 0 140.226 1.948 10 0 ADAERN CC(C)c1nc(Cl)ccc1C(N)=O 238180831 573890570 /nfs/dbraw/zinc/89/05/70/573890570.db2.gz GZLFFKGCMAADCD-UHFFFAOYSA-N 0 0 198.653 1.957 10 0 ADAERN CC[C@H](O)c1noc([C@H]2C[C@@H]2OC)n1 690070450 573890582 /nfs/dbraw/zinc/89/05/82/573890582.db2.gz AXYFBIHRCMKSCC-ACZMJKKPSA-N 0 0 198.222 1.015 10 0 ADAERN CC[C@H](C)[C@@H]1COCCC1=O 76591750 573890587 /nfs/dbraw/zinc/89/05/87/573890587.db2.gz VKZYGQNLOYHTCV-YUMQZZPRSA-N 0 0 156.225 1.638 10 0 ADAERN NC(=O)n1nc(Cl)c2ccccc21 238562724 573890597 /nfs/dbraw/zinc/89/05/97/573890597.db2.gz CGMLPKUZFDFJBU-UHFFFAOYSA-N 0 0 195.609 1.617 10 0 ADAERN CC[C@H](O)[C@H](C)OC[C@@H]1CCOC1 44237911 573890603 /nfs/dbraw/zinc/89/06/03/573890603.db2.gz WGLVWVJPJJAAJU-AEJSXWLSSA-N 0 0 188.267 1.199 10 0 ADAERN C[C@H](F)[C@@]([NH3+])(C(=O)[O-])C(C)(C)C 257894758 573890612 /nfs/dbraw/zinc/89/06/12/573890612.db2.gz NYZDTTDDWNBHMV-YLWLKBPMSA-N 0 0 177.219 1.173 10 0 ADAERN O=Cc1cc2cccc(O)c2o1 76594165 573890615 /nfs/dbraw/zinc/89/06/15/573890615.db2.gz OARQIEMVRZJPDF-UHFFFAOYSA-N 0 0 162.144 1.951 10 0 ADAERN CCO[C@@H]1C[C@@H]1c1nnc(C)[nH]1 690070438 573890618 /nfs/dbraw/zinc/89/06/18/573890618.db2.gz AXXKSIFIKPJKPA-NKWVEPMBSA-N 0 0 167.212 1.006 10 0 ADAERN CC(=O)N(C)C1CCC(CCO)CC1 259223429 573890629 /nfs/dbraw/zinc/89/06/29/573890629.db2.gz RAAPMRMSMKLFNY-UHFFFAOYSA-N 0 0 199.294 1.406 10 0 ADAERN Cc1ccc(NC2CC(O)C2)nc1 84443567 573890630 /nfs/dbraw/zinc/89/06/30/573890630.db2.gz LVHHYOYJIQIZLI-UHFFFAOYSA-N 0 0 178.235 1.325 10 0 ADAERN Cn1c(C2CCCCC2)n[nH]c1=O 238562379 573890641 /nfs/dbraw/zinc/89/06/41/573890641.db2.gz VDDFLGWLYBPSHT-UHFFFAOYSA-N 0 0 181.239 1.156 10 0 ADAERN Cc1ccc(OC[C@@H](C)C(N)=O)cc1 41206232 573890646 /nfs/dbraw/zinc/89/06/46/573890646.db2.gz AHDZLMCDFIMLEZ-SECBINFHSA-N 0 0 193.246 1.495 10 0 ADAERN Cc1ccc(-c2cnc(N)nc2)nc1 238560991 573890657 /nfs/dbraw/zinc/89/06/57/573890657.db2.gz LUMHLBMRHBGQMG-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN CC[C@@H](CCCO)OC 80389265 573890673 /nfs/dbraw/zinc/89/06/73/573890673.db2.gz GMWNKSAZTATRIB-ZETCQYMHSA-N 0 0 132.203 1.184 10 0 ADAERN O=C(NC1CC(O)C1)c1ccsc1 84442345 573890704 /nfs/dbraw/zinc/89/07/04/573890704.db2.gz SAKBKNVKITVEBL-UHFFFAOYSA-N 0 0 197.259 1.001 10 0 ADAERN OCC[C@H]1CNc2ccc(F)cc2C1 257894829 573890714 /nfs/dbraw/zinc/89/07/14/573890714.db2.gz XTVCAWLIDVHWHZ-MRVPVSSYSA-N 0 0 195.237 1.792 10 0 ADAERN CCN1C(=O)CNc2ccc(N)cc21 259220406 573890720 /nfs/dbraw/zinc/89/07/20/573890720.db2.gz LTWFKLPBGNJORY-UHFFFAOYSA-N 0 0 191.234 1.047 10 0 ADAERN CC[C@H](O)[C@H](C)OC[C@@H]1CCCO1 44215989 573890735 /nfs/dbraw/zinc/89/07/35/573890735.db2.gz ZOVWCCBJCCWOJF-GUBZILKMSA-N 0 0 188.267 1.341 10 0 ADAERN COC[C@]1(C)CC(=O)C(C)(C)O1 144997950 573890738 /nfs/dbraw/zinc/89/07/38/573890738.db2.gz HZTLANXXIJAZEF-VIFPVBQESA-N 0 0 172.224 1.160 10 0 ADAERN CC[S@](=O)CCNc1cc[nH+]cc1 217388731 573890756 /nfs/dbraw/zinc/89/07/56/573890756.db2.gz IMIAISVTOIPEKK-ZDUSSCGKSA-N 0 0 198.291 1.262 10 0 ADAERN CCCCO[C@@H](C)[C@@H](O)CC 44235113 573890776 /nfs/dbraw/zinc/89/07/76/573890776.db2.gz UKSRBRAHOYELAQ-IUCAKERBSA-N 0 0 160.257 1.963 10 0 ADAERN N=C1CC(=C2CCCC2)C(=O)N1 238561325 573890782 /nfs/dbraw/zinc/89/07/82/573890782.db2.gz JCAZFTLUYQIQNQ-UHFFFAOYSA-N 0 0 164.208 1.354 10 0 ADAERN CC[C@@H](C(=O)[O-])[C@@H]([NH3+])c1ccccc1 44196251 573890783 /nfs/dbraw/zinc/89/07/83/573890783.db2.gz DDTYVGPXRLPBSG-ZJUUUORDSA-N 0 0 193.246 1.797 10 0 ADAERN C[C@H]1CNC(=O)OC1(C)C 144956811 573890799 /nfs/dbraw/zinc/89/07/99/573890799.db2.gz QTEIDYZMZGTRDT-YFKPBYRVSA-N 0 0 143.186 1.141 10 0 ADAERN C[C@H]1C(=O)Nc2cc3n[nH]nc3cc21 102206961 573890801 /nfs/dbraw/zinc/89/08/01/573890801.db2.gz XTNWHLJQZNGIJE-SCSAIBSYSA-N 0 0 188.190 1.014 10 0 ADAERN O=Cc1cc(-c2ccccc2O)[nH]n1 257894822 573890804 /nfs/dbraw/zinc/89/08/04/573890804.db2.gz XTPDZOIJSQTDOB-UHFFFAOYSA-N 0 0 188.186 1.595 10 0 ADAERN O=Cc1[nH]c2ccccc2c1C=O 197114395 573890123 /nfs/dbraw/zinc/89/01/23/573890123.db2.gz QFDBGLLGQCNMLX-UHFFFAOYSA-N 0 0 173.171 1.793 10 0 ADAERN COCNc1cc2c(cc1C)OCO2 258986839 573891516 /nfs/dbraw/zinc/89/15/16/573891516.db2.gz CWEFEZKCDYPAFS-UHFFFAOYSA-N 0 0 195.218 1.740 10 0 ADAERN CC(C)[N@@H+]1CCC[C@@H]1c1nc(N)no1 257894555 573891520 /nfs/dbraw/zinc/89/15/20/573891520.db2.gz CXAVWYXRPFDCPQ-SSDOTTSWSA-N 0 0 196.254 1.197 10 0 ADAERN CC(C)CC(N)=NOCc1ccno1 742580410 573891521 /nfs/dbraw/zinc/89/15/21/573891521.db2.gz FTGBVNRGKBRTHR-UHFFFAOYSA-N 0 0 197.238 1.719 10 0 ADAERN O=C1Cc2cccc(F)c2N1CCF 102254920 573891535 /nfs/dbraw/zinc/89/15/35/573891535.db2.gz DMNZTXPKDILDMO-UHFFFAOYSA-N 0 0 197.184 1.684 10 0 ADAERN CCOc1ccc([C@@H](O)COC)cc1 44192986 573891540 /nfs/dbraw/zinc/89/15/40/573891540.db2.gz MBVMWOADSGNFDM-NSHDSACASA-N 0 0 196.246 1.765 10 0 ADAERN CC[C@H](O)[C@@H](C)OC[C@@H]1CCCO1 44215983 573891563 /nfs/dbraw/zinc/89/15/63/573891563.db2.gz ZOVWCCBJCCWOJF-UTLUCORTSA-N 0 0 188.267 1.341 10 0 ADAERN c1ncc(NC2CSC2)cn1 76596070 573891568 /nfs/dbraw/zinc/89/15/68/573891568.db2.gz NTRVNBWLDZDAAV-UHFFFAOYSA-N 0 0 167.237 1.004 10 0 ADAERN CC[C@H](O)c1noc([C@@H]2C[C@@H]2OC)n1 690070457 573891571 /nfs/dbraw/zinc/89/15/71/573891571.db2.gz AXYFBIHRCMKSCC-VQVTYTSYSA-N 0 0 198.222 1.015 10 0 ADAERN OC1CC(Nc2ncccc2F)C1 84443562 573891573 /nfs/dbraw/zinc/89/15/73/573891573.db2.gz XCJFSUQKSNDODE-UHFFFAOYSA-N 0 0 182.198 1.156 10 0 ADAERN Nc1cnnc(Cc2cccs2)c1 257894174 573891582 /nfs/dbraw/zinc/89/15/82/573891582.db2.gz GZAJZFLBYSRQNL-UHFFFAOYSA-N 0 0 191.259 1.711 10 0 ADAERN CC(C)C[N@H+](C)CC[C@@H](C)C(=O)[O-] 258988265 573891601 /nfs/dbraw/zinc/89/16/01/573891601.db2.gz YVPRUDSDIOAMMB-SECBINFHSA-N 0 0 187.283 1.685 10 0 ADAERN Cc1cc2ccccc2n1CO 144949578 573891602 /nfs/dbraw/zinc/89/16/02/573891602.db2.gz WDSXCJYKUYTFBT-UHFFFAOYSA-N 0 0 161.204 1.900 10 0 ADAERN C[C@H](COc1ccc(F)cc1)C(N)=O 41207476 573890845 /nfs/dbraw/zinc/89/08/45/573890845.db2.gz HTXMPRYYIQFILV-SSDOTTSWSA-N 0 0 197.209 1.326 10 0 ADAERN O=Cc1cn2c(n1)SCCC2 76596531 573890865 /nfs/dbraw/zinc/89/08/65/573890865.db2.gz VRRHTVMYLXQCTK-UHFFFAOYSA-N 0 0 168.221 1.191 10 0 ADAERN CC[C@H](CCCO)OC 80389269 573890895 /nfs/dbraw/zinc/89/08/95/573890895.db2.gz GMWNKSAZTATRIB-SSDOTTSWSA-N 0 0 132.203 1.184 10 0 ADAERN CN1CC[C@@](F)(c2ccccc2O)C1 257894874 573890923 /nfs/dbraw/zinc/89/09/23/573890923.db2.gz XUGPDCVNOVJEER-NSHDSACASA-N 0 0 195.237 1.893 10 0 ADAERN CC[C@H]1CCC(C(C)=O)=C(O)C1 197107675 573890946 /nfs/dbraw/zinc/89/09/46/573890946.db2.gz DNZBUOKXNWFRGN-IUCAKERBSA-N 0 0 168.236 1.971 10 0 ADAERN CCCCOC(=O)[C@H]1CC[C@H](C)O1 127510496 573890961 /nfs/dbraw/zinc/89/09/61/573890961.db2.gz PCJWRINQGUXQFU-DTWKUNHWSA-N 0 0 186.251 1.897 10 0 ADAERN NCc1nnc([C@@H]2C[C@H]3CC[C@@H]2C3)o1 224319928 573890964 /nfs/dbraw/zinc/89/09/64/573890964.db2.gz RSIBCBPNJVBXHT-XLPZGREQSA-N 0 0 193.250 1.432 10 0 ADAERN [NH3+]C1(c2cc(F)ccc2C(=O)[O-])CC1 238562146 573890978 /nfs/dbraw/zinc/89/09/78/573890978.db2.gz MYUQYTWJOXILEY-UHFFFAOYSA-N 0 0 195.193 1.472 10 0 ADAERN Cc1ccc([C@](C)(C[NH3+])C(=O)[O-])cc1 235760674 573891016 /nfs/dbraw/zinc/89/10/16/573891016.db2.gz GPMHLGMBCSVBMT-NSHDSACASA-N 0 0 193.246 1.296 10 0 ADAERN Cc1ccc(C2(CCO)COC2)o1 259222856 573891021 /nfs/dbraw/zinc/89/10/21/573891021.db2.gz MAMHAHSZLDETHO-UHFFFAOYSA-N 0 0 182.219 1.238 10 0 ADAERN [NH3+][C@@H]1CCC[C@@H](CC2(C(=O)[O-])CC2)C1 238562119 573891022 /nfs/dbraw/zinc/89/10/22/573891022.db2.gz MOPJYVZFVWJBEP-RKDXNWHRSA-N 0 0 197.278 1.759 10 0 ADAERN CC(C)Cc1nscc1CO 238180959 573891023 /nfs/dbraw/zinc/89/10/23/573891023.db2.gz PTMMKQDDGGXISZ-UHFFFAOYSA-N 0 0 171.265 1.834 10 0 ADAERN Cc1cc([C@@H](C)O)ccc1OCCO 41207337 573891054 /nfs/dbraw/zinc/89/10/54/573891054.db2.gz ZLLLLEBDGOTXCN-SECBINFHSA-N 0 0 196.246 1.419 10 0 ADAERN Cn1cc(N)cc1C(F)(F)F 76594655 573891060 /nfs/dbraw/zinc/89/10/60/573891060.db2.gz BEIIXGKAMSRSNZ-UHFFFAOYSA-N 0 0 164.130 1.626 10 0 ADAERN CCC[C@H](O)[C@H](CC)n1ccnc1 44180561 573891071 /nfs/dbraw/zinc/89/10/71/573891071.db2.gz RARLVXIDHIYWFY-UWVGGRQHSA-N 0 0 182.267 1.995 10 0 ADAERN CC1(C)C[C@@H]1C[NH2+]C[C@H]1C[C@H]1C(=O)[O-] 715371352 573891081 /nfs/dbraw/zinc/89/10/81/573891081.db2.gz OZQRGSFYIQYLCI-IWSPIJDZSA-N 0 0 197.278 1.343 10 0 ADAERN CC(C)OC(=O)NCc1cc[nH]n1 44240540 573891117 /nfs/dbraw/zinc/89/11/17/573891117.db2.gz LLBVCHFLDYMYQF-UHFFFAOYSA-N 0 0 183.211 1.044 10 0 ADAERN O=Cc1c[nH]nc1[C@@H]1CCCCO1 257894792 573891124 /nfs/dbraw/zinc/89/11/24/573891124.db2.gz OANRHDGAIDKQRK-QMMMGPOBSA-N 0 0 180.207 1.464 10 0 ADAERN CC12CCC(CC1)[C@@H]2C(N)=O 238180672 573891172 /nfs/dbraw/zinc/89/11/72/573891172.db2.gz ANHRLJAIENRLFP-KDIYEYIXSA-N 0 0 153.225 1.298 10 0 ADAERN CC(C)(O)C[C@@H]1CC(=O)NC(C)(C)C1 238180686 573891178 /nfs/dbraw/zinc/89/11/78/573891178.db2.gz PPAPIDJSHUDEQW-MRVPVSSYSA-N 0 0 199.294 1.452 10 0 ADAERN CC[C@@H](O)[C@@H](C)OC[C@@H]1CCCO1 44215986 573891181 /nfs/dbraw/zinc/89/11/81/573891181.db2.gz ZOVWCCBJCCWOJF-KXUCPTDWSA-N 0 0 188.267 1.341 10 0 ADAERN CCCCCCN1CN[C@H](C)C1=O 127521694 573891183 /nfs/dbraw/zinc/89/11/83/573891183.db2.gz PLNFCRTWFYVWSF-SECBINFHSA-N 0 0 184.283 1.345 10 0 ADAERN COc1cccc(O)c1C(C)(C)CO 258173752 573891217 /nfs/dbraw/zinc/89/12/17/573891217.db2.gz WBGJPECQVSYDFJ-UHFFFAOYSA-N 0 0 196.246 1.671 10 0 ADAERN Cc1cc(C)nc(NC2CC(O)C2)n1 84443596 573891220 /nfs/dbraw/zinc/89/12/20/573891220.db2.gz DFGMTBKQTNGODM-UHFFFAOYSA-N 0 0 193.250 1.029 10 0 ADAERN C[C@H](COc1ccccc1F)C(N)=O 41207466 573891239 /nfs/dbraw/zinc/89/12/39/573891239.db2.gz FKFXIYUIQWLLTC-SSDOTTSWSA-N 0 0 197.209 1.326 10 0 ADAERN C[C@@H]1CNC(=O)OC1(C)C 144956606 573891255 /nfs/dbraw/zinc/89/12/55/573891255.db2.gz QTEIDYZMZGTRDT-RXMQYKEDSA-N 0 0 143.186 1.141 10 0 ADAERN O=Cc1cc2cc(O)ccc2[nH]1 76593860 573891258 /nfs/dbraw/zinc/89/12/58/573891258.db2.gz RNHAUCTUYRBRTD-UHFFFAOYSA-N 0 0 161.160 1.686 10 0 ADAERN Cn1cc(S[C@H]2CCC(=O)C2)cn1 84432911 573891259 /nfs/dbraw/zinc/89/12/59/573891259.db2.gz LPVXAAZKTNTOCU-QMMMGPOBSA-N 0 0 196.275 1.634 10 0 ADAERN C[C@](O)(CO)c1ccc(F)cc1F 80343974 573891264 /nfs/dbraw/zinc/89/12/64/573891264.db2.gz QMLUXQCUFDFMLY-VIFPVBQESA-N 0 0 188.173 1.165 10 0 ADAERN C[C@@H](C(=O)c1ncn(C)n1)C1CC1 714768560 573891267 /nfs/dbraw/zinc/89/12/67/573891267.db2.gz LJYKNZAVUVUKBD-ZCFIWIBFSA-N 0 0 179.223 1.044 10 0 ADAERN O[C@@H]1CC[C@H]2CSC[C@H]2C1 76593242 573891283 /nfs/dbraw/zinc/89/12/83/573891283.db2.gz NRPFGTDXKKZMHO-XLPZGREQSA-N 0 0 158.266 1.510 10 0 ADAERN CC[N@H+](C)CC(C)(C)CC(=O)[O-] 258989997 573891287 /nfs/dbraw/zinc/89/12/87/573891287.db2.gz ZBNXTECJKYIRKK-UHFFFAOYSA-N 0 0 173.256 1.439 10 0 ADAERN C[NH2+][C@@H](Cc1ccoc1)C(OC)OC 131602844 573891288 /nfs/dbraw/zinc/89/12/88/573891288.db2.gz QAGDHIXZCSASEE-VIFPVBQESA-N 0 0 199.250 1.029 10 0 ADAERN COc1nc(-c2ccc[nH]2)c[nH]1 259220959 573891298 /nfs/dbraw/zinc/89/12/98/573891298.db2.gz ZGVPOQFKBXUWDZ-UHFFFAOYSA-N 0 0 163.180 1.413 10 0 ADAERN [NH3+]C1(c2cc(F)cc(C(=O)[O-])c2)CC1 238561764 573891312 /nfs/dbraw/zinc/89/13/12/573891312.db2.gz FFTDHUIKQLOSSA-UHFFFAOYSA-N 0 0 195.193 1.472 10 0 ADAERN CCc1nccn1[C@@H](C)[C@H](O)CC 44189652 573891319 /nfs/dbraw/zinc/89/13/19/573891319.db2.gz TYZPXVHJRUKBGH-DTWKUNHWSA-N 0 0 182.267 1.777 10 0 ADAERN CC(C)[C@H]1O[C@@H](C)CC1=O 238181086 573891322 /nfs/dbraw/zinc/89/13/22/573891322.db2.gz ZTRJNBWYAAXTRP-POYBYMJQSA-N 0 0 142.198 1.389 10 0 ADAERN CO[C@@H]1CC(=O)c2ccccc21 144963477 573891329 /nfs/dbraw/zinc/89/13/29/573891329.db2.gz VQFGUCCRMISZRV-SNVBAGLBSA-N 0 0 162.188 1.961 10 0 ADAERN CCOCC[C@@](C)(CO)C1CC1 127516172 573891361 /nfs/dbraw/zinc/89/13/61/573891361.db2.gz SCNWBUXZMSTEBE-JTQLQIEISA-N 0 0 172.268 1.822 10 0 ADAERN C[C@@H]1CCO[C@H]1C(=O)c1ccco1 123005251 573891363 /nfs/dbraw/zinc/89/13/63/573891363.db2.gz NDPREJZHOYBQNA-GMSGAONNSA-N 0 0 180.203 1.887 10 0 ADAERN COc1ccc(C[C@H](CO)OC)cc1 257894001 573891389 /nfs/dbraw/zinc/89/13/89/573891389.db2.gz XTHKLEILUBDRLD-LLVKDONJSA-N 0 0 196.246 1.245 10 0 ADAERN CNc1nccc(NC(C)C)n1 84428445 573891402 /nfs/dbraw/zinc/89/14/02/573891402.db2.gz RLTQUEJSXDYBKB-UHFFFAOYSA-N 0 0 166.228 1.339 10 0 ADAERN CC12CCC(CC1)[C@H]2C(N)=O 238181055 573891404 /nfs/dbraw/zinc/89/14/04/573891404.db2.gz ANHRLJAIENRLFP-CRMOQAEOSA-N 0 0 153.225 1.298 10 0 ADAERN Cc1nc(C2(CO)CC2)cs1 259223728 573891410 /nfs/dbraw/zinc/89/14/10/573891410.db2.gz IULSYDQRVGIHLF-UHFFFAOYSA-N 0 0 169.249 1.475 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccn(C)c1 259577658 573891412 /nfs/dbraw/zinc/89/14/12/573891412.db2.gz JWDCLTUVLLRCLP-FXBDTBDDSA-N 0 0 193.246 1.548 10 0 ADAERN CC(C)C[N@H+](C)CC[C@H](C)C(=O)[O-] 258988268 573891442 /nfs/dbraw/zinc/89/14/42/573891442.db2.gz YVPRUDSDIOAMMB-VIFPVBQESA-N 0 0 187.283 1.685 10 0 ADAERN C[C@H](O)Cn1ccc2ncccc21 258173497 573891451 /nfs/dbraw/zinc/89/14/51/573891451.db2.gz RUPCZVOVRCPRPE-QMMMGPOBSA-N 0 0 176.219 1.417 10 0 ADAERN CC[C@H]1CC[C@@H](O)[C@H](OC)C1 44192698 573891452 /nfs/dbraw/zinc/89/14/52/573891452.db2.gz BTTPIFNKUNMQDM-DJLDLDEBSA-N 0 0 158.241 1.572 10 0 ADAERN O=Cc1noc([C@H]2CCCCS2)n1 257894514 573891459 /nfs/dbraw/zinc/89/14/59/573891459.db2.gz CVTRKQFPNROYOQ-ZCFIWIBFSA-N 0 0 198.247 1.840 10 0 ADAERN CCCCCO[C@@H](C)[C@H](C)O 44235667 573891461 /nfs/dbraw/zinc/89/14/61/573891461.db2.gz CJSLGFAWNVOWIO-IUCAKERBSA-N 0 0 160.257 1.963 10 0 ADAERN CCC(C)(C)C(=O)NC1CC(O)C1 84442887 573891471 /nfs/dbraw/zinc/89/14/71/573891471.db2.gz AWRCKOGGSVVBIL-UHFFFAOYSA-N 0 0 185.267 1.062 10 0 ADAERN Cc1nc(C(N)=O)c(CC(C)C)o1 238181118 573891483 /nfs/dbraw/zinc/89/14/83/573891483.db2.gz CXWDTZFEUUEJEI-UHFFFAOYSA-N 0 0 182.223 1.280 10 0 ADAERN Cc1ccc([C@]2(C)CC(=O)CN2)cc1 258987880 573891503 /nfs/dbraw/zinc/89/15/03/573891503.db2.gz VWOXDHNGWLNJCA-LBPRGKRZSA-N 0 0 189.258 1.773 10 0 ADAERN COC1(C(C)(C)C)COC1 258991465 573898652 /nfs/dbraw/zinc/89/86/52/573898652.db2.gz BDCFSJYVHGTKCX-UHFFFAOYSA-N 0 0 144.214 1.448 10 0 ADAERN Cc1c(C=O)[nH]c2c1CCC2 45793463 573898708 /nfs/dbraw/zinc/89/87/08/573898708.db2.gz JWZLYAKCRIEMNH-UHFFFAOYSA-N 0 0 149.193 1.624 10 0 ADAERN C[NH+](C)[C@@](C)(C(=O)[O-])C1(C)CC1 87366419 573898711 /nfs/dbraw/zinc/89/87/11/573898711.db2.gz VAMIBVVZEICECD-VIFPVBQESA-N 0 0 171.240 1.191 10 0 ADAERN CN(CC1CC(O)C1)c1nccs1 84453520 573898714 /nfs/dbraw/zinc/89/87/14/573898714.db2.gz QBYZQCPLNFXDTQ-UHFFFAOYSA-N 0 0 198.291 1.350 10 0 ADAERN CC[C@](C)(O)C1(C)CC1 87366105 573898718 /nfs/dbraw/zinc/89/87/18/573898718.db2.gz VRVOZMOBCOPWEI-QMMMGPOBSA-N 0 0 128.215 1.948 10 0 ADAERN CC(C)OCCOCC[C@@H](C)O 44223313 573898732 /nfs/dbraw/zinc/89/87/32/573898732.db2.gz MGQVJGCKLILFSV-SECBINFHSA-N 0 0 176.256 1.199 10 0 ADAERN CC(C)CCO[C@@H]1COCC[C@H]1O 44218062 573898756 /nfs/dbraw/zinc/89/87/56/573898756.db2.gz MTAKGRKZWSOFNO-NXEZZACHSA-N 0 0 188.267 1.199 10 0 ADAERN CN1CCNc2c(O)cccc21 259226670 573898773 /nfs/dbraw/zinc/89/87/73/573898773.db2.gz MBLBDKWAQBPQKA-UHFFFAOYSA-N 0 0 164.208 1.254 10 0 ADAERN CCC[C@@H](CC)N1CN[C@H](C)C1=O 123035285 573898792 /nfs/dbraw/zinc/89/87/92/573898792.db2.gz HSGLTBGUPILDFQ-RKDXNWHRSA-N 0 0 184.283 1.343 10 0 ADAERN CCOCCOC[C@H](O)C(C)(C)C 44217414 573898793 /nfs/dbraw/zinc/89/87/93/573898793.db2.gz PRBHPEAYSBIWBT-VIFPVBQESA-N 0 0 190.283 1.447 10 0 ADAERN COC(=O)[C@@H](N)CCC1CCCC1 258988375 573898796 /nfs/dbraw/zinc/89/87/96/573898796.db2.gz FRGSCLOTVBCHNC-VIFPVBQESA-N 0 0 185.267 1.457 10 0 ADAERN Cn1cc(N)c(-c2ccccc2F)n1 84452562 573898810 /nfs/dbraw/zinc/89/88/10/573898810.db2.gz KSVZTQUZJZIMDN-UHFFFAOYSA-N 0 0 191.209 1.808 10 0 ADAERN CCNc1cc(C2(C)CC2)[nH]n1 87367516 573898815 /nfs/dbraw/zinc/89/88/15/573898815.db2.gz HRHALQKGHARMRS-UHFFFAOYSA-N 0 0 165.240 1.893 10 0 ADAERN Cc1ccccc1CC1=NCC(=O)N1 235766192 573898817 /nfs/dbraw/zinc/89/88/17/573898817.db2.gz CGZOPGDOOPZURM-UHFFFAOYSA-N 0 0 188.230 1.066 10 0 ADAERN CC1([C@@](C)(O)c2cncnc2)CC1 87366074 573898822 /nfs/dbraw/zinc/89/88/22/573898822.db2.gz ILMXDNYAUHFGAY-JTQLQIEISA-N 0 0 178.235 1.484 10 0 ADAERN O=C1Cc2ccccc2N1CCF 102278723 573898833 /nfs/dbraw/zinc/89/88/33/573898833.db2.gz ZWAOAPHCCSFDSR-UHFFFAOYSA-N 0 0 179.194 1.545 10 0 ADAERN CCCCOCCO[C@H](C)[C@H](C)O 44225180 573898834 /nfs/dbraw/zinc/89/88/34/573898834.db2.gz ADLZTVLVEBBODD-VHSXEESVSA-N 0 0 190.283 1.589 10 0 ADAERN CC(C)(O)[C@H]1CC=CC[C@@H]1CO 238190105 573898837 /nfs/dbraw/zinc/89/88/37/573898837.db2.gz YDUXYKDBHUNBOP-BDAKNGLRSA-N 0 0 170.252 1.332 10 0 ADAERN CC1(c2ccc(N)nn2)CC1 87367188 573898839 /nfs/dbraw/zinc/89/88/39/573898839.db2.gz QMARPRBEFHTABH-UHFFFAOYSA-N 0 0 149.197 1.110 10 0 ADAERN CC1([C@](C)(O)c2cncnc2)CC1 87366071 573898866 /nfs/dbraw/zinc/89/88/66/573898866.db2.gz ILMXDNYAUHFGAY-SNVBAGLBSA-N 0 0 178.235 1.484 10 0 ADAERN NC(=O)c1ccc2c[nH]cc2c1 80498617 573898873 /nfs/dbraw/zinc/89/88/73/573898873.db2.gz YJKJUZVZGKMJGV-UHFFFAOYSA-N 0 0 160.176 1.267 10 0 ADAERN C[C@@H](O)[C@@H]1CC1(F)F 102330985 573898878 /nfs/dbraw/zinc/89/88/78/573898878.db2.gz HMSPNWYZUODBID-DMTCNVIQSA-N 0 0 122.114 1.022 10 0 ADAERN CC(=O)[C@@]12C[C@@H](O1)C(C)(C)C2 238189668 573898911 /nfs/dbraw/zinc/89/89/11/573898911.db2.gz IWWGKPOZWOWQIX-APPZFPTMSA-N 0 0 154.209 1.533 10 0 ADAERN CC1([C@](C)(O)c2cnccn2)CC1 87365909 573898915 /nfs/dbraw/zinc/89/89/15/573898915.db2.gz HQKXBENTBQAXCD-SNVBAGLBSA-N 0 0 178.235 1.484 10 0 ADAERN CCOCCO[C@@H]1CCCC[C@H]1O 44217149 573898932 /nfs/dbraw/zinc/89/89/32/573898932.db2.gz IWDLYZXVRUTEFU-NXEZZACHSA-N 0 0 188.267 1.343 10 0 ADAERN CC1([C@@]2(C)COC(=O)N2)CC1 87368849 573898940 /nfs/dbraw/zinc/89/89/40/573898940.db2.gz RRLOVHNZFZKUNV-MRVPVSSYSA-N 0 0 155.197 1.285 10 0 ADAERN Nc1cc2c(s1)COCC2 102281410 573898954 /nfs/dbraw/zinc/89/89/54/573898954.db2.gz MUKRYJQRXSDDDQ-UHFFFAOYSA-N 0 0 155.222 1.403 10 0 ADAERN C[C@@H](CO)[C@@H](C)C(C)(C)O 80399330 573898957 /nfs/dbraw/zinc/89/89/57/573898957.db2.gz PKJRYBRCZGCXPB-NKWVEPMBSA-N 0 0 146.230 1.022 10 0 ADAERN CCOC(=O)CC[C@@H]1CC[C@H]1O 259578762 573898959 /nfs/dbraw/zinc/89/89/59/573898959.db2.gz KBVRRTVIEOWMKG-JGVFFNPUSA-N 0 0 172.224 1.101 10 0 ADAERN COc1ccc(C)cc1N(C)CO 258988712 573898971 /nfs/dbraw/zinc/89/89/71/573898971.db2.gz XFNKUJUAIMSJDI-UHFFFAOYSA-N 0 0 181.235 1.390 10 0 ADAERN CCOC(=O)C1CC2(CCOCC2)C1 259584033 573898972 /nfs/dbraw/zinc/89/89/72/573898972.db2.gz KQFKVMWNMCHEDX-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN Cc1c[nH]c(C2(CO)CCC2)n1 258993522 573898975 /nfs/dbraw/zinc/89/89/75/573898975.db2.gz BJXWGTJWGRKMMI-UHFFFAOYSA-N 0 0 166.224 1.132 10 0 ADAERN CCC(=O)C(C)(C)[C@H](C)O 238190373 573898991 /nfs/dbraw/zinc/89/89/91/573898991.db2.gz UFGLCHSTNPVGOW-LURJTMIESA-N 0 0 144.214 1.373 10 0 ADAERN OCCCc1nc(C2CCCC2)c[nH]1 258993215 573898993 /nfs/dbraw/zinc/89/89/93/573898993.db2.gz BDZNDAJGMWLGSN-UHFFFAOYSA-N 0 0 194.278 1.992 10 0 ADAERN Cn1cc([C@](C)(O)C2(C)CC2)cn1 87365568 573899033 /nfs/dbraw/zinc/89/90/33/573899033.db2.gz WEBHURDWZLPDFG-JTQLQIEISA-N 0 0 180.251 1.428 10 0 ADAERN CC1=NN(CCO)C(=O)C1C(C)C 102411715 573899042 /nfs/dbraw/zinc/89/90/42/573899042.db2.gz LXLISGKBEVHMRU-UHFFFAOYSA-N 0 0 184.239 1.013 10 0 ADAERN Cn1cc(C[C@](C)(O)C2(C)CC2)cn1 87365670 573899056 /nfs/dbraw/zinc/89/90/56/573899056.db2.gz MKSIARSURRGHTH-NSHDSACASA-N 0 0 194.278 1.514 10 0 ADAERN CC(C)OCCOCC[C@H](C)O 44223317 573899097 /nfs/dbraw/zinc/89/90/97/573899097.db2.gz MGQVJGCKLILFSV-VIFPVBQESA-N 0 0 176.256 1.199 10 0 ADAERN C[C@H]1C(=O)NC(=O)C[C@@]1(C)C1(C)CC1 87369405 573899120 /nfs/dbraw/zinc/89/91/20/573899120.db2.gz FMWMRPFMTWEWMN-WRWORJQWSA-N 0 0 195.262 1.475 10 0 ADAERN O=Cc1c[nH]c(-c2ccc[nH]2)c1 45793321 573899129 /nfs/dbraw/zinc/89/91/29/573899129.db2.gz QIANXWZQRAOBNF-UHFFFAOYSA-N 0 0 160.176 1.822 10 0 ADAERN C[C@@H](O)[C@H]1CC1(F)F 102330990 573899151 /nfs/dbraw/zinc/89/91/51/573899151.db2.gz HMSPNWYZUODBID-QWWZWVQMSA-N 0 0 122.114 1.022 10 0 ADAERN CC(=O)NCSc1ccccc1 80398377 573899163 /nfs/dbraw/zinc/89/91/63/573899163.db2.gz SYUKVVHLZXRJIK-UHFFFAOYSA-N 0 0 181.260 1.872 10 0 ADAERN CC1(c2cc(C=O)[nH]n2)CC1 87367186 573899168 /nfs/dbraw/zinc/89/91/68/573899168.db2.gz UCUMACCEKSZEGW-UHFFFAOYSA-N 0 0 150.181 1.274 10 0 ADAERN CC1(C)C/C(=C\COC=O)CC[C@H]1O 238175686 573899182 /nfs/dbraw/zinc/89/91/82/573899182.db2.gz FEMICAMUQQOFIE-HYHWUIIZSA-N 0 0 198.262 1.657 10 0 ADAERN CC1(C)[C@@H](C(=O)[O-])C12CC[NH2+]CC2 76608062 573899183 /nfs/dbraw/zinc/89/91/83/573899183.db2.gz VOMYVCSILCRMIF-SSDOTTSWSA-N 0 0 183.251 1.097 10 0 ADAERN CC1(C)CC(O)CC(C)(C)C1=O 238189802 573899187 /nfs/dbraw/zinc/89/91/87/573899187.db2.gz YVLBHQUPMLGCQT-UHFFFAOYSA-N 0 0 170.252 1.763 10 0 ADAERN Cc1c[nH]c2cccc(CON)c12 258175112 573899189 /nfs/dbraw/zinc/89/91/89/573899189.db2.gz SIAUZCSILLKYAS-UHFFFAOYSA-N 0 0 176.219 1.867 10 0 ADAERN CC(C)N1CC(C)(C)CNC1=O 238175453 573899206 /nfs/dbraw/zinc/89/92/06/573899206.db2.gz DUILHOXGPYSMDV-UHFFFAOYSA-N 0 0 170.256 1.446 10 0 ADAERN CCN(C=O)C(C)(C)C 80497401 573899212 /nfs/dbraw/zinc/89/92/12/573899212.db2.gz ZNVKGNQJWLICQU-UHFFFAOYSA-N 0 0 129.203 1.263 10 0 ADAERN CC(C)[C@H]1[NH2+]CCCC[C@H]1CC(=O)[O-] 238175493 573899216 /nfs/dbraw/zinc/89/92/16/573899216.db2.gz WPQHJGNZEKAXTA-GXSJLCMTSA-N 0 0 199.294 1.875 10 0 ADAERN CCOCCO[C@@H](C)[C@H](O)CC 44217183 573899225 /nfs/dbraw/zinc/89/92/25/573899225.db2.gz JLDMJAQHSOXYEO-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN c1cc(N[C@H]2CCCSC2)n[nH]1 76608241 573899245 /nfs/dbraw/zinc/89/92/45/573899245.db2.gz ORCBXMFQJWFXCQ-ZETCQYMHSA-N 0 0 183.280 1.717 10 0 ADAERN C[C@@H](Cc1ccccc1F)ON 259583541 573899269 /nfs/dbraw/zinc/89/92/69/573899269.db2.gz YYJUVHWIITYVCC-ZETCQYMHSA-N 0 0 169.199 1.647 10 0 ADAERN C[NH+]1CCC(Nc2ncco2)CC1 76605395 573899284 /nfs/dbraw/zinc/89/92/84/573899284.db2.gz JASUMOCHCWRSCB-UHFFFAOYSA-N 0 0 181.239 1.181 10 0 ADAERN C[C@H]([NH+]1CC(C(=O)[O-])C1)C1(C)CC1 87368400 573899306 /nfs/dbraw/zinc/89/93/06/573899306.db2.gz JACQSIIMTCOCAB-ZETCQYMHSA-N 0 0 183.251 1.191 10 0 ADAERN C[C@H](O)[C@H]1CC1(F)F 102330987 573899307 /nfs/dbraw/zinc/89/93/07/573899307.db2.gz HMSPNWYZUODBID-IUYQGCFVSA-N 0 0 122.114 1.022 10 0 ADAERN CC[C@H](O)[C@H](C)n1cnc(C2CC2)n1 308460898 573899310 /nfs/dbraw/zinc/89/93/10/573899310.db2.gz FNDSVEJLYBFJNX-CBAPKCEASA-N 0 0 195.266 1.487 10 0 ADAERN CC(C)OCCO[C@H]1CCC[C@H]1O 44223951 573899328 /nfs/dbraw/zinc/89/93/28/573899328.db2.gz TZYIAVXHFWEFLQ-ZJUUUORDSA-N 0 0 188.267 1.341 10 0 ADAERN Nc1ccc2c(c1)CC(=O)N2C1CC1 102278742 573899335 /nfs/dbraw/zinc/89/93/35/573899335.db2.gz YBGKNMLQXJEJFT-UHFFFAOYSA-N 0 0 188.230 1.320 10 0 ADAERN O=C1CCOC[C@@H]1CC(F)(F)F 76606345 573899346 /nfs/dbraw/zinc/89/93/46/573899346.db2.gz PVRYXUHLAKUVHL-YFKPBYRVSA-N 0 0 182.141 1.544 10 0 ADAERN CC[C@@H](O)[C@H](C)OCC(C)C 44219691 573899348 /nfs/dbraw/zinc/89/93/48/573899348.db2.gz OLFZTPFBBRXKCF-DTWKUNHWSA-N 0 0 160.257 1.818 10 0 ADAERN COC(=O)[C@H](N)CCC1CCCC1 258988373 573899357 /nfs/dbraw/zinc/89/93/57/573899357.db2.gz FRGSCLOTVBCHNC-SECBINFHSA-N 0 0 185.267 1.457 10 0 ADAERN NOCc1cc2c(O)cccc2s1 258175790 573899373 /nfs/dbraw/zinc/89/93/73/573899373.db2.gz MPLDYMXJQCHQFI-UHFFFAOYSA-N 0 0 195.243 1.997 10 0 ADAERN CCOC(=O)[C@@H](NC)c1ccc(C)o1 259224703 573899377 /nfs/dbraw/zinc/89/93/77/573899377.db2.gz MGGQXAWVQYZUGA-VIFPVBQESA-N 0 0 197.234 1.412 10 0 ADAERN C[C@H]1OCc2sc(N)c(C(N)=O)c21 102295756 573899394 /nfs/dbraw/zinc/89/93/94/573899394.db2.gz KEXVGVIAUPPPNV-GSVOUGTGSA-N 0 0 198.247 1.020 10 0 ADAERN CC(=O)O[C@H]1CNc2ccccc2C1 80397844 573899398 /nfs/dbraw/zinc/89/93/98/573899398.db2.gz CVERVIHLTWTXQE-SNVBAGLBSA-N 0 0 191.230 1.586 10 0 ADAERN C/C=C/CCNC(=O)[C@@H]1CC[C@H](C)O1 131636582 573899411 /nfs/dbraw/zinc/89/94/11/573899411.db2.gz QHQXNFQYWDSEPL-OHINUGQQSA-N 0 0 197.278 1.636 10 0 ADAERN C[C@@H](CC[N@H+](C)C1CCC1)C(=O)[O-] 258993572 573899433 /nfs/dbraw/zinc/89/94/33/573899433.db2.gz ZLBVJNVQSMLMPE-QMMMGPOBSA-N 0 0 185.267 1.582 10 0 ADAERN C[C@@H]1C(=O)NC(=O)C[C@@]1(C)C1(C)CC1 87369402 573901008 /nfs/dbraw/zinc/90/10/08/573901008.db2.gz FMWMRPFMTWEWMN-RDDDGLTNSA-N 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181.195 1.004 10 0 ADAERN CC1(C)O[C@H]1C[C@@H]1CCCC1=O 238190377 573901054 /nfs/dbraw/zinc/90/10/54/573901054.db2.gz ILQIZSLCGNMOEX-CBAPKCEASA-N 0 0 168.236 1.923 10 0 ADAERN CCCc1csc(CNN)n1 259231625 573901058 /nfs/dbraw/zinc/90/10/58/573901058.db2.gz JYQGCPBBYDVYII-UHFFFAOYSA-N 0 0 171.269 1.059 10 0 ADAERN CC[C@@H](C)C(=O)N(C)CC1CC(O)C1 84453277 573901061 /nfs/dbraw/zinc/90/10/61/573901061.db2.gz IGIBPFTXADNXMV-XNWIYYODSA-N 0 0 199.294 1.262 10 0 ADAERN Cc1[nH]c(CC(=O)[O-])nc1C(C)(C)C 257902861 573901085 /nfs/dbraw/zinc/90/10/85/573901085.db2.gz ZAHCSNMZDJVRHR-UHFFFAOYSA-N 0 0 196.250 1.643 10 0 ADAERN CCCCCc1[nH][nH]c(=O)c1CCO 238190513 573901095 /nfs/dbraw/zinc/90/10/95/573901095.db2.gz GCJZUQNIXAODJN-QMMMGPOBSA-N 0 0 198.266 1.051 10 0 ADAERN CC(C)C(=O)C[C@H]1CCCC1=O 238190842 573901113 /nfs/dbraw/zinc/90/11/13/573901113.db2.gz AADDIQZDGAWECG-MRVPVSSYSA-N 0 0 168.236 1.971 10 0 ADAERN CCn1cc([C@](C)(O)C2(C)CC2)cn1 87366009 573901116 /nfs/dbraw/zinc/90/11/16/573901116.db2.gz GKVGLVBFRRWZHD-NSHDSACASA-N 0 0 194.278 1.911 10 0 ADAERN CCC1=NC=C(Cl)S1(=O)=O 257902614 573901145 /nfs/dbraw/zinc/90/11/45/573901145.db2.gz ANSPDHXBYHRDBQ-UHFFFAOYSA-N 0 0 179.628 1.261 10 0 ADAERN CC(=O)[C@H](O)c1ccc2c(c1)CCO2 259229795 573901161 /nfs/dbraw/zinc/90/11/61/573901161.db2.gz RXIGOVWXLRPPCR-NSHDSACASA-N 0 0 192.214 1.244 10 0 ADAERN Nc1c[nH]c(COc2ccccc2)n1 257903425 573901164 /nfs/dbraw/zinc/90/11/64/573901164.db2.gz OLDQFGKAHKLJQD-UHFFFAOYSA-N 0 0 189.218 1.571 10 0 ADAERN c1ncc(N[C@H]2CCSC2)cn1 76605729 573901174 /nfs/dbraw/zinc/90/11/74/573901174.db2.gz OZVSFYMAQOIHPN-ZETCQYMHSA-N 0 0 181.264 1.394 10 0 ADAERN CCN1C(=O)N=C(N)[C@]1(C)C1(C)CC1 87369644 573901175 /nfs/dbraw/zinc/90/11/75/573901175.db2.gz QVIFSGXMIJMAAH-SNVBAGLBSA-N 0 0 195.266 1.568 10 0 ADAERN CC1([C@]2(C)C[NH2+]C[C@@H]2C(=O)[O-])CC1 87367696 573901181 /nfs/dbraw/zinc/90/11/81/573901181.db2.gz CDLJLNYTSAZQGV-GMSGAONNSA-N 0 0 183.251 1.097 10 0 ADAERN Cn1cc([C@@](C)(O)C2(C)CC2)cn1 87365566 573901208 /nfs/dbraw/zinc/90/12/08/573901208.db2.gz WEBHURDWZLPDFG-SNVBAGLBSA-N 0 0 180.251 1.428 10 0 ADAERN C[C@@H](O)C(=O)c1ccc2c(c1)CCC2 84451984 573901231 /nfs/dbraw/zinc/90/12/31/573901231.db2.gz GIIBNVQGJVZKDV-MRVPVSSYSA-N 0 0 190.242 1.739 10 0 ADAERN CC1([C@@](C)(O)[C@H]2CCOC2)CC1 87365584 573901256 /nfs/dbraw/zinc/90/12/56/573901256.db2.gz JHMFUOSXXGHHFF-WPRPVWTQSA-N 0 0 170.252 1.574 10 0 ADAERN O=Cc1cnc(Cl)cc1N1CCC1 258176213 573901262 /nfs/dbraw/zinc/90/12/62/573901262.db2.gz UQAFTTUYJSHROC-UHFFFAOYSA-N 0 0 196.637 1.758 10 0 ADAERN C[C@@H]([C@@H]1CC(=O)NC1=O)C1(C)CC1 87368037 573901267 /nfs/dbraw/zinc/90/12/67/573901267.db2.gz XBYOLWBIBBMTDF-BQBZGAKWSA-N 0 0 181.235 1.085 10 0 ADAERN CC1([C@](C)(O)c2cccnc2N)CC1 87365851 573901288 /nfs/dbraw/zinc/90/12/88/573901288.db2.gz AIJPGYQJZAQRQZ-LLVKDONJSA-N 0 0 192.262 1.671 10 0 ADAERN O=C1CCCCCSC1 80522181 573901294 /nfs/dbraw/zinc/90/12/94/573901294.db2.gz ZWFMISBAECZWOX-UHFFFAOYSA-N 0 0 144.239 1.863 10 0 ADAERN CC(=O)c1nc(C)c2c(n1)CCC2 257902670 573901312 /nfs/dbraw/zinc/90/13/12/573901312.db2.gz PAHBGIDFUQVOFT-UHFFFAOYSA-N 0 0 176.219 1.476 10 0 ADAERN CCOC[C@@](C)(O)C1(C)CC1 87365631 573901316 /nfs/dbraw/zinc/90/13/16/573901316.db2.gz SVCPBNNPDHJYKH-SECBINFHSA-N 0 0 158.241 1.574 10 0 ADAERN CN1CCC[C@H]1c1nc(CO)cs1 257881543 573901319 /nfs/dbraw/zinc/90/13/19/573901319.db2.gz AJWYGZIIYRDJTF-QMMMGPOBSA-N 0 0 198.291 1.402 10 0 ADAERN O=C([O-])C/C=C/C[NH+]1CCCCCC1 258176233 573901322 /nfs/dbraw/zinc/90/13/22/573901322.db2.gz UQCKDEDMOALCIW-ZZXKWVIFSA-N 0 0 197.278 1.893 10 0 ADAERN CCOc1ccc([C@H](N)NC)cc1F 259230089 573901323 /nfs/dbraw/zinc/90/13/23/573901323.db2.gz HFMMMPKFSRMGGZ-SNVBAGLBSA-N 0 0 198.241 1.401 10 0 ADAERN CC1([C@]2(C)C[C@@H](O)CCO2)CC1 87367715 573901328 /nfs/dbraw/zinc/90/13/28/573901328.db2.gz FTTNVPVJXFYQLJ-WPRPVWTQSA-N 0 0 170.252 1.717 10 0 ADAERN CC1([C@@]2(C)CC(=O)N2)CC1 87368092 573901339 /nfs/dbraw/zinc/90/13/39/573901339.db2.gz KBAQCALWILQDBL-MRVPVSSYSA-N 0 0 139.198 1.065 10 0 ADAERN CC1=CN2C=CS[C@@H]2N1 238175461 573901358 /nfs/dbraw/zinc/90/13/58/573901358.db2.gz FUKQPOSTPSOZMU-ZCFIWIBFSA-N 0 0 140.211 1.255 10 0 ADAERN CCCc1ncc2nc[nH]c2n1 80521994 573901374 /nfs/dbraw/zinc/90/13/74/573901374.db2.gz DPBCKZBYMWCXJS-UHFFFAOYSA-N 0 0 162.196 1.305 10 0 ADAERN CC1([C@]2(C)CC(=O)CCO2)CC1 87367745 573901382 /nfs/dbraw/zinc/90/13/82/573901382.db2.gz JVFZNANWBTZJNC-JTQLQIEISA-N 0 0 168.236 1.925 10 0 ADAERN CC(=O)c1cccc2c(=O)on(C)c12 257902789 573901383 /nfs/dbraw/zinc/90/13/83/573901383.db2.gz YXSYHHSCROGEAG-UHFFFAOYSA-N 0 0 191.186 1.334 10 0 ADAERN CC1=NN=C2C=CC(Cl)=NN2C1 238190745 573901387 /nfs/dbraw/zinc/90/13/87/573901387.db2.gz PNRLYXLQQZYESJ-UHFFFAOYSA-N 0 0 182.614 1.199 10 0 ADAERN c1cc(NC2CCSCC2)n[nH]1 76608235 573901392 /nfs/dbraw/zinc/90/13/92/573901392.db2.gz CNYDDRNJAQNQAL-UHFFFAOYSA-N 0 0 183.280 1.717 10 0 ADAERN COCc1nc2ccccc2o1 102717513 573901400 /nfs/dbraw/zinc/90/14/00/573901400.db2.gz JTXIGJDSXYBMIK-UHFFFAOYSA-N 0 0 163.176 1.974 10 0 ADAERN C[C@H]([N@@H+]1CC[C@H](C(=O)[O-])C1)C1(C)CC1 87368357 573901411 /nfs/dbraw/zinc/90/14/11/573901411.db2.gz HAZXLQGKVJXULD-IUCAKERBSA-N 0 0 197.278 1.582 10 0 ADAERN CCO[C@@H]1C[C@@H]1c1csc(N)n1 690005950 573901433 /nfs/dbraw/zinc/90/14/33/573901433.db2.gz POHYHCKKCMOLNK-IYSWYEEDSA-N 0 0 184.264 1.618 10 0 ADAERN CC(=O)[C@@]12OC=C[C@@H]1CC2(C)C 238190005 573901457 /nfs/dbraw/zinc/90/14/57/573901457.db2.gz GMBVYPGQAJKMBL-PSASIEDQSA-N 0 0 166.220 1.904 10 0 ADAERN CC[C@@H](O)[C@@H](C)n1cnc(C2CC2)n1 308460901 573901459 /nfs/dbraw/zinc/90/14/59/573901459.db2.gz FNDSVEJLYBFJNX-VXNVDRBHSA-N 0 0 195.266 1.487 10 0 ADAERN CC(=O)[C@@H]1CCc2ccoc2C1 238175749 573901471 /nfs/dbraw/zinc/90/14/71/573901471.db2.gz IFCOOVJDUYWJSB-SECBINFHSA-N 0 0 164.204 1.974 10 0 ADAERN CC(C)c1coc2c(=O)[nH]c(N)nc12 238175419 573901475 /nfs/dbraw/zinc/90/14/75/573901475.db2.gz VVAZSFSSLCHBLP-UHFFFAOYSA-N 0 0 193.206 1.634 10 0 ADAERN COC(=O)[C@@H]1[C@@H](C)[C@H]1C 259584744 573901479 /nfs/dbraw/zinc/90/14/79/573901479.db2.gz KQVXZDVLCHFJMZ-FMCRUOTFSA-N 0 0 128.171 1.061 10 0 ADAERN CC(=O)[C@@]12O[C@@H]1CCCC2(C)C 238190047 573901482 /nfs/dbraw/zinc/90/14/82/573901482.db2.gz ANYCAUOIOHBOON-PSASIEDQSA-N 0 0 168.236 1.923 10 0 ADAERN O=C(Cc1ccncn1)c1cccnc1 258998931 573901537 /nfs/dbraw/zinc/90/15/37/573901537.db2.gz BGXDGOGEHOSIFK-UHFFFAOYSA-N 0 0 199.213 1.297 10 0 ADAERN CCCc1cn2cccc(O)c2n1 257902892 573901538 /nfs/dbraw/zinc/90/15/38/573901538.db2.gz GACXNHGCFOEYGE-UHFFFAOYSA-N 0 0 176.219 1.992 10 0 ADAERN C[C@@]1(c2ccc(O)cc2)CNC(=O)O1 257902791 573901552 /nfs/dbraw/zinc/90/15/52/573901552.db2.gz YXVKBAOGGJDYRH-JTQLQIEISA-N 0 0 193.202 1.347 10 0 ADAERN CC(C)C[N@H+](C)C1CC(C(=O)[O-])C1 259224879 573901561 /nfs/dbraw/zinc/90/15/61/573901561.db2.gz BCOQFXRFUPCYGE-UHFFFAOYSA-N 0 0 185.267 1.437 10 0 ADAERN NNc1nc(C2CCCCC2)c[nH]1 259226330 573901571 /nfs/dbraw/zinc/90/15/71/573901571.db2.gz ZTTHITDTGHZJDQ-UHFFFAOYSA-N 0 0 180.255 1.743 10 0 ADAERN O=Cc1ccn(Cc2nccs2)c1 87393883 573901573 /nfs/dbraw/zinc/90/15/73/573901573.db2.gz LESUVLSGWOYFQG-UHFFFAOYSA-N 0 0 192.243 1.805 10 0 ADAERN COCC[C@H](C)[C@]1(CO)CCOC1 131541667 573901591 /nfs/dbraw/zinc/90/15/91/573901591.db2.gz FTXDUKYGUMKHHG-UWVGGRQHSA-N 0 0 188.267 1.058 10 0 ADAERN O=C1NCC[C@@H](c2cccc(O)c2)N1 257902929 573901604 /nfs/dbraw/zinc/90/16/04/573901604.db2.gz ZBNGGOGTYOQAEV-VIFPVBQESA-N 0 0 192.218 1.136 10 0 ADAERN CC(C)[C@@H]1NCc2ccccc2C1=O 238189590 573901606 /nfs/dbraw/zinc/90/16/06/573901606.db2.gz PBJSYRJXJTVAES-NSHDSACASA-N 0 0 189.258 1.997 10 0 ADAERN Nc1ccc([C@@H]2CCSC2)nn1 259583551 573901615 /nfs/dbraw/zinc/90/16/15/573901615.db2.gz YYLUMXVYQPTOGJ-ZCFIWIBFSA-N 0 0 181.264 1.279 10 0 ADAERN CC(=O)[C@H](O)/C=C\c1ccccc1 215625805 573901629 /nfs/dbraw/zinc/90/16/29/573901629.db2.gz INPIMZNPNYGJMD-SKVAFPRGSA-N 0 0 176.215 1.650 10 0 ADAERN C[NH2+][C@@H](/C=C/C(=O)[O-])c1ccccc1 259230176 573901635 /nfs/dbraw/zinc/90/16/35/573901635.db2.gz GKKXRPDRBNGUDO-JARNTUPDSA-N 0 0 191.230 1.588 10 0 ADAERN Cc1cnc(NC2CCOCC2)o1 76606520 573901652 /nfs/dbraw/zinc/90/16/52/573901652.db2.gz AYDKKPYMKIERDC-UHFFFAOYSA-N 0 0 182.223 1.574 10 0 ADAERN CC1(C)O[C@H]1C1=NO[C@@](C)(CCO)C1 238189949 573901657 /nfs/dbraw/zinc/90/16/57/573901657.db2.gz HWBAUWZUUQCSGP-WPRPVWTQSA-N 0 0 199.250 1.081 10 0 ADAERN CNc1ncc(-c2cc[nH]c2)o1 259226495 573901658 /nfs/dbraw/zinc/90/16/58/573901658.db2.gz RUAYHYQBUSOZRT-UHFFFAOYSA-N 0 0 163.180 1.711 10 0 ADAERN CCC(CC)C[C@H](N)C(=O)OC 44327010 573901660 /nfs/dbraw/zinc/90/16/60/573901660.db2.gz RQHJPGFOLFLDRC-QMMMGPOBSA-N 0 0 173.256 1.313 10 0 ADAERN C[NH2+][C@H](SC1CCCC1)C(=O)[O-] 259225459 573901686 /nfs/dbraw/zinc/90/16/86/573901686.db2.gz MTCYDPGWFOSPQK-SSDOTTSWSA-N 0 0 189.280 1.292 10 0 ADAERN CC(C)(O)[C@H]1CC[C@H](CCO)C1 238190801 573901711 /nfs/dbraw/zinc/90/17/11/573901711.db2.gz QUKFVOHOYSEXOK-BDAKNGLRSA-N 0 0 172.268 1.556 10 0 ADAERN C[C@@H]1Nc2ccc(O)cc2OC1=O 259229506 573901736 /nfs/dbraw/zinc/90/17/36/573901736.db2.gz MHBVGCBZIBDOQP-YFKPBYRVSA-N 0 0 179.175 1.112 10 0 ADAERN CO[C@@H]1C[C@@H]1C(=O)c1cnsc1 689911988 573902682 /nfs/dbraw/zinc/90/26/82/573902682.db2.gz ABZADIPIOBRWAI-NKWVEPMBSA-N 0 0 183.232 1.361 10 0 ADAERN CC(=O)c1cccc2c(=O)[nH][nH]c12 257903933 573903419 /nfs/dbraw/zinc/90/34/19/573903419.db2.gz PKAHINUJOBSHKB-UHFFFAOYSA-N 0 0 176.175 1.059 10 0 ADAERN Cc1csc(CC[C@@H](C)O)n1 87395790 573903429 /nfs/dbraw/zinc/90/34/29/573903429.db2.gz IBCXGROGDILWDU-SSDOTTSWSA-N 0 0 171.265 1.765 10 0 ADAERN CN1c2cccc(O)c2C[C@@H]1CCO 258178760 573906915 /nfs/dbraw/zinc/90/69/15/573906915.db2.gz MRLBEGCFESIOTJ-QMMMGPOBSA-N 0 0 193.246 1.136 10 0 ADAERN OCc1noc2ccsc12 45813991 573906920 /nfs/dbraw/zinc/90/69/20/573906920.db2.gz QELIEOAPNDUXRD-UHFFFAOYSA-N 0 0 155.178 1.382 10 0 ADAERN CC[C@H](C)C[C@@H](C)N1C(=O)CN[C@H]1C 127440910 573902697 /nfs/dbraw/zinc/90/26/97/573902697.db2.gz ZFEMSCZUENRNJV-IVZWLZJFSA-N 0 0 198.310 1.589 10 0 ADAERN C[NH2+][C@@H](SC1CCCC1)C(=O)[O-] 259225461 573902716 /nfs/dbraw/zinc/90/27/16/573902716.db2.gz MTCYDPGWFOSPQK-ZETCQYMHSA-N 0 0 189.280 1.292 10 0 ADAERN CCO[C@@H]1C[C@H]1c1csc(N)n1 690005935 573902747 /nfs/dbraw/zinc/90/27/47/573902747.db2.gz POHYHCKKCMOLNK-CAHLUQPWSA-N 0 0 184.264 1.618 10 0 ADAERN CC(=O)[C@@H](O)c1ccc2c(c1)CCO2 259229790 573902748 /nfs/dbraw/zinc/90/27/48/573902748.db2.gz RXIGOVWXLRPPCR-LLVKDONJSA-N 0 0 192.214 1.244 10 0 ADAERN OCc1ccn(Cc2nccs2)c1 87393930 573902791 /nfs/dbraw/zinc/90/27/91/573902791.db2.gz XGXIDBWGKMZJLU-UHFFFAOYSA-N 0 0 194.259 1.485 10 0 ADAERN Cc1ccccc1[C@@H](O)C(C)(C)O 235781459 573902831 /nfs/dbraw/zinc/90/28/31/573902831.db2.gz FUFWFKXNBAKWIZ-SNVBAGLBSA-N 0 0 180.247 1.799 10 0 ADAERN COCC(=O)CCc1nc(C)cs1 87392136 573902861 /nfs/dbraw/zinc/90/28/61/573902861.db2.gz BNDJURIMBCHUDK-UHFFFAOYSA-N 0 0 199.275 1.600 10 0 ADAERN CC1(C)C(=O)COc2ccccc21 238191974 573902863 /nfs/dbraw/zinc/90/28/63/573902863.db2.gz UFUWANHEKFUFLL-UHFFFAOYSA-N 0 0 176.215 1.926 10 0 ADAERN C[C@@H]1CC[C@H]1[NH2+][C@@H](C(=O)[O-])C1CC1 393553511 573902875 /nfs/dbraw/zinc/90/28/75/573902875.db2.gz XBRAGTXNSADEQW-FTLITQJKSA-N 0 0 183.251 1.238 10 0 ADAERN COCC[C@H](C)NC(=O)OC(C)C 127469156 573902914 /nfs/dbraw/zinc/90/29/14/573902914.db2.gz OPUDNNDJJDMIJO-QMMMGPOBSA-N 0 0 189.255 1.546 10 0 ADAERN CC1(C)C(=O)Cc2cc(N)ccc21 238192495 573902929 /nfs/dbraw/zinc/90/29/29/573902929.db2.gz OSXDFSWUHOMUKY-UHFFFAOYSA-N 0 0 175.231 1.672 10 0 ADAERN Cc1ccc(-c2c[nH]c(CO)n2)o1 259226235 573902930 /nfs/dbraw/zinc/90/29/30/573902930.db2.gz ZSFIRKCWNHPDHA-UHFFFAOYSA-N 0 0 178.191 1.470 10 0 ADAERN COc1ccc(C[C@H](C)O)c(O)c1C 258176653 573902951 /nfs/dbraw/zinc/90/29/51/573902951.db2.gz WHUSONJEDPMLAR-ZETCQYMHSA-N 0 0 196.246 1.633 10 0 ADAERN COC(=O)[C@H](CO)c1ccccc1F 258443791 573902983 /nfs/dbraw/zinc/90/29/83/573902983.db2.gz XCQVTXHZTDQEET-MRVPVSSYSA-N 0 0 198.193 1.075 10 0 ADAERN OCC[C@@H]1Cc2cc(O)ccc2O1 258177520 573902985 /nfs/dbraw/zinc/90/29/85/573902985.db2.gz SMBDFFDRVIEJSC-SECBINFHSA-N 0 0 180.203 1.078 10 0 ADAERN CSC[C@@H](C)NCc1ncccn1 127441723 573903018 /nfs/dbraw/zinc/90/30/18/573903018.db2.gz ZCZIIOJJLVMKLS-MRVPVSSYSA-N 0 0 197.307 1.318 10 0 ADAERN CC(C)(O)[C@H]1Cc2c(O)cccc2O1 238192074 573903038 /nfs/dbraw/zinc/90/30/38/573903038.db2.gz LLMZPDBBGZIQRN-SNVBAGLBSA-N 0 0 194.230 1.467 10 0 ADAERN COC(=O)C[C@@H](O)c1ccc(F)cc1 35822686 573903048 /nfs/dbraw/zinc/90/30/48/573903048.db2.gz LGQVEGXFUQPHGN-SECBINFHSA-N 0 0 198.193 1.422 10 0 ADAERN CCC[N@@H+]1CC[C@H](C(=O)[O-])CC1(C)C 259225062 573903063 /nfs/dbraw/zinc/90/30/63/573903063.db2.gz DDFFLPDASGZEDG-VIFPVBQESA-N 0 0 199.294 1.972 10 0 ADAERN Cc1ccnn1Cc1cncc(F)c1 235790001 573903070 /nfs/dbraw/zinc/90/30/70/573903070.db2.gz IHDKITRWHVOKSJ-UHFFFAOYSA-N 0 0 191.209 1.774 10 0 ADAERN CN1N[C@H](c2cccc(F)c2)CC1=O 257896164 573903093 /nfs/dbraw/zinc/90/30/93/573903093.db2.gz YAEXDXWSIXEBEQ-VIFPVBQESA-N 0 0 194.209 1.234 10 0 ADAERN Cc1cc(C)c(CNCNN)cc1C 259225908 573903097 /nfs/dbraw/zinc/90/30/97/573903097.db2.gz YCMJZUTUAHRRRC-UHFFFAOYSA-N 0 0 193.294 1.122 10 0 ADAERN COC(=O)[C@@H](CO)c1ccccc1F 258443792 573903098 /nfs/dbraw/zinc/90/30/98/573903098.db2.gz XCQVTXHZTDQEET-QMMMGPOBSA-N 0 0 198.193 1.075 10 0 ADAERN CCSCc1c(N)cnn1C 257895972 573903104 /nfs/dbraw/zinc/90/31/04/573903104.db2.gz JSSOIRDTEKBCQC-UHFFFAOYSA-N 0 0 171.269 1.255 10 0 ADAERN CC1(O)C[NH+]([C@H]2C=CCCCCC2)C1 308461559 573903110 /nfs/dbraw/zinc/90/31/10/573903110.db2.gz RXTKETGZWYNCHA-NSHDSACASA-N 0 0 195.306 1.942 10 0 ADAERN CC1(C)C(=O)Cc2cc(O)ccc21 238192525 573903114 /nfs/dbraw/zinc/90/31/14/573903114.db2.gz WHPNQCOTUYYWIY-UHFFFAOYSA-N 0 0 176.215 1.795 10 0 ADAERN CC(C)Cn1[n-]c2c(c1=O)[C@@H](C)[NH2+]C2 258178213 573903115 /nfs/dbraw/zinc/90/31/15/573903115.db2.gz UTGCUSRTYAEXGF-SSDOTTSWSA-N 0 0 195.266 1.409 10 0 ADAERN Cc1cccc(C)c1C(=O)NC#N 235781164 573903133 /nfs/dbraw/zinc/90/31/33/573903133.db2.gz QOQHKWMKBJJPID-UHFFFAOYSA-N 0 0 174.203 1.514 10 0 ADAERN Cc1cnccc1-c1cc[nH]c(=O)n1 235791343 573903145 /nfs/dbraw/zinc/90/31/45/573903145.db2.gz OHSGFFKJRKCRAD-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CC(=C[C@H](C)O)C1=S=CC(C)=N1 642821290 573903148 /nfs/dbraw/zinc/90/31/48/573903148.db2.gz ZESREHSEPUAJND-JQTRYQTASA-N 0 0 183.276 1.085 10 0 ADAERN CSC[C@H](C)NCc1ncccn1 127441432 573903170 /nfs/dbraw/zinc/90/31/70/573903170.db2.gz ZCZIIOJJLVMKLS-QMMMGPOBSA-N 0 0 197.307 1.318 10 0 ADAERN CC1(C)C(=O)CCc2c1coc2CO 238191924 573903177 /nfs/dbraw/zinc/90/31/77/573903177.db2.gz DVUVIBIZYITDTI-UHFFFAOYSA-N 0 0 194.230 1.565 10 0 ADAERN CCSC(=O)c1cc(N)on1 257896079 573903192 /nfs/dbraw/zinc/90/31/92/573903192.db2.gz JVXOZTURVPBNDC-UHFFFAOYSA-N 0 0 172.209 1.150 10 0 ADAERN CN(CC1CC1)C(=O)N[C@H]1CC12CC2 335127250 573903193 /nfs/dbraw/zinc/90/31/93/573903193.db2.gz DGJRALGACUDODM-VIFPVBQESA-N 0 0 194.278 1.590 10 0 ADAERN CC(C)(O)[C@H]1O[C@@H]1c1cccc(O)c1 238191560 573903206 /nfs/dbraw/zinc/90/32/06/573903206.db2.gz YFWKGBSMICEVPM-ZJUUUORDSA-N 0 0 194.230 1.603 10 0 ADAERN COCCN(C)c1ccc(C(C)=O)o1 131548501 573903208 /nfs/dbraw/zinc/90/32/08/573903208.db2.gz SMUVRHNZAUZRKO-UHFFFAOYSA-N 0 0 197.234 1.565 10 0 ADAERN Cc1ccn(-c2ccc(N)c(C)n2)n1 123044956 573903224 /nfs/dbraw/zinc/90/32/24/573903224.db2.gz MDRFAHVIYIJEJJ-UHFFFAOYSA-N 0 0 188.234 1.466 10 0 ADAERN CC1=N[C@@H]2[C@@H](O)CCC[C@H]2C1 238193043 573903305 /nfs/dbraw/zinc/90/33/05/573903305.db2.gz NWDUBAJRIXFTEW-CIUDSAMLSA-N 0 0 153.225 1.381 10 0 ADAERN C[C@]1(C2CCC2)CCNC(=O)N1 258520996 573903313 /nfs/dbraw/zinc/90/33/13/573903313.db2.gz MFWDCNMINCQUMG-SECBINFHSA-N 0 0 168.240 1.248 10 0 ADAERN CCC(C)(C)[C@@H]1CC[C@H](CO)O1 238192236 573903349 /nfs/dbraw/zinc/90/33/49/573903349.db2.gz DNYUBEVCKYIOLJ-BDAKNGLRSA-N 0 0 172.268 1.963 10 0 ADAERN CC(=O)[C@@]1([C@@H](O)c2ccccc2)CO1 238191034 573903366 /nfs/dbraw/zinc/90/33/66/573903366.db2.gz XTSJQJUDMAYTSL-WDEREUQCSA-N 0 0 192.214 1.078 10 0 ADAERN O=Cc1cccc2c1Cc1ccccc1-2 308779917 573903405 /nfs/dbraw/zinc/90/34/05/573903405.db2.gz ZRNGUHPKSBFLMN-UHFFFAOYSA-N 0 0 194.233 1.792 10 0 ADAERN NCC(=O)Sc1ccccc1 80675553 573903415 /nfs/dbraw/zinc/90/34/15/573903415.db2.gz IMDXGRMZBHJCQZ-UHFFFAOYSA-N 0 0 167.233 1.264 10 0 ADAERN CC1(C)C=CC=C(C(N)=O)CC1 238195187 573906959 /nfs/dbraw/zinc/90/69/59/573906959.db2.gz ZOZOXRAVRMSIPU-UHFFFAOYSA-N 0 0 165.236 1.774 10 0 ADAERN C[C@@H]1CC(=O)C2=C(O)[C@@H]1CCC2 102981409 573906978 /nfs/dbraw/zinc/90/69/78/573906978.db2.gz HQDGBVACMJUNOJ-PRJMDXOYSA-N 0 0 166.220 1.581 10 0 ADAERN CC[C@H]1C=C(C(=O)[O-])CC[N@@H+]1C 258521284 573906986 /nfs/dbraw/zinc/90/69/86/573906986.db2.gz MHUYBXFJRMYAIQ-QMMMGPOBSA-N 0 0 169.224 1.112 10 0 ADAERN CC[C@H](CO)c1nc(C)c[nH]1 258999927 573907010 /nfs/dbraw/zinc/90/70/10/573907010.db2.gz BZWCNDWQQGXXQN-SSDOTTSWSA-N 0 0 154.213 1.204 10 0 ADAERN CC1(C)NCC(F)(F)[C@@H]1F 258451896 573907014 /nfs/dbraw/zinc/90/70/14/573907014.db2.gz GDLYBHQIAPJPHU-SCSAIBSYSA-N 0 0 153.147 1.342 10 0 ADAERN Clc1cnc([C@H]2CCOC2)o1 258451003 573907034 /nfs/dbraw/zinc/90/70/34/573907034.db2.gz GFMUVUPBWDABFY-YFKPBYRVSA-N 0 0 173.599 1.832 10 0 ADAERN CC(C)C(=O)NC(=O)C1=CCCC1 238193618 573907036 /nfs/dbraw/zinc/90/70/36/573907036.db2.gz XUIWMYLZSQODAW-UHFFFAOYSA-N 0 0 181.235 1.396 10 0 ADAERN CC1=N[C@H]2CC(=O)C[C@@H]2S1 238193842 573907043 /nfs/dbraw/zinc/90/70/43/573907043.db2.gz NSQSCYIEWSLZMV-BQBZGAKWSA-N 0 0 155.222 1.252 10 0 ADAERN Cc1cccc(NCC(C)(C)O)c1N 235782060 573907049 /nfs/dbraw/zinc/90/70/49/573907049.db2.gz PISOALYNZVJJTC-UHFFFAOYSA-N 0 0 194.278 1.760 10 0 ADAERN CC1=N[C@H](O)[C@H](c2ccccc2)O1 238193637 573907056 /nfs/dbraw/zinc/90/70/56/573907056.db2.gz QTTVOKQWWJHWJV-VHSXEESVSA-N 0 0 177.203 1.495 10 0 ADAERN CN1c2cccc(O)c2C[C@H]1CCO 258178758 573907057 /nfs/dbraw/zinc/90/70/57/573907057.db2.gz MRLBEGCFESIOTJ-MRVPVSSYSA-N 0 0 193.246 1.136 10 0 ADAERN CN1CCC[C@H](NCC(C)(F)F)C1 642821676 573907060 /nfs/dbraw/zinc/90/70/60/573907060.db2.gz CHPDCMBVPBMCFT-QMMMGPOBSA-N 0 0 192.253 1.325 10 0 ADAERN Clc1cnnc(-c2ccccn2)n1 259232602 573907077 /nfs/dbraw/zinc/90/70/77/573907077.db2.gz OUXHQCWONCSLRG-UHFFFAOYSA-N 0 0 192.609 1.587 10 0 ADAERN CC(C)(O)c1ccnc(N)c1F 238195136 573907091 /nfs/dbraw/zinc/90/70/91/573907091.db2.gz YGFXSROJLDMYIQ-UHFFFAOYSA-N 0 0 170.187 1.030 10 0 ADAERN Cc1[nH]c(C(=O)N(C)C)c(C)c1C 45814741 573907103 /nfs/dbraw/zinc/90/71/03/573907103.db2.gz OTFBMGYMACBHRE-UHFFFAOYSA-N 0 0 180.251 1.642 10 0 ADAERN CCOc1ccc(NCCCO)cn1 87399551 573907121 /nfs/dbraw/zinc/90/71/21/573907121.db2.gz WONKRDWERAVPPN-UHFFFAOYSA-N 0 0 196.250 1.275 10 0 ADAERN CC1(C)O[C@H](c2cccs2)NC1=O 238194540 573907130 /nfs/dbraw/zinc/90/71/30/573907130.db2.gz CHXVAENZNGMCBR-SSDOTTSWSA-N 0 0 197.259 1.672 10 0 ADAERN CC(=O)N(CC1CC1)C1CC1 84639712 573907150 /nfs/dbraw/zinc/90/71/50/573907150.db2.gz JOACEJAZAVLCIQ-UHFFFAOYSA-N 0 0 153.225 1.407 10 0 ADAERN COc1ccc2c(c1)OC(=O)[C@H](C)N2 259232243 573907154 /nfs/dbraw/zinc/90/71/54/573907154.db2.gz MNHUVTRDJTYLEW-LURJTMIESA-N 0 0 193.202 1.415 10 0 ADAERN CC1(C)CCC([C@@H]([NH3+])C(=O)[O-])CC1 76630731 573907155 /nfs/dbraw/zinc/90/71/55/573907155.db2.gz UBHUCKXNUHHPNZ-MRVPVSSYSA-N 0 0 185.267 1.615 10 0 ADAERN CC(C)[N@@H+]1C[C@@H](CC(=O)[O-])CC1(C)C 259228902 573907173 /nfs/dbraw/zinc/90/71/73/573907173.db2.gz DHHNFQYVFZVTTR-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN Cc1ccccc1[C@@](C)(C[NH3+])C(=O)[O-] 235789022 573907186 /nfs/dbraw/zinc/90/71/86/573907186.db2.gz XEVSPGTXIINGQH-LLVKDONJSA-N 0 0 193.246 1.296 10 0 ADAERN CC1(C)C(C(N)=O)=Nc2ccccc21 238195475 573907187 /nfs/dbraw/zinc/90/71/87/573907187.db2.gz FKLKTMCMXCBAJL-UHFFFAOYSA-N 0 0 188.230 1.536 10 0 ADAERN CCn1c(=NN)[nH]c2cc(C)ccc21 258177543 573907189 /nfs/dbraw/zinc/90/71/89/573907189.db2.gz MOPMUGZRNFNNJY-UHFFFAOYSA-N 0 0 190.250 1.650 10 0 ADAERN CCn1c(Cl)cnc1CCOC 258450989 573907191 /nfs/dbraw/zinc/90/71/91/573907191.db2.gz GFBPITUWHCIUPM-UHFFFAOYSA-N 0 0 188.658 1.745 10 0 ADAERN COC(=O)/C=C/c1cnn(C(C)C)c1 234603731 573907216 /nfs/dbraw/zinc/90/72/16/573907216.db2.gz MZXCUKUQQYWYSI-SNAWJCMRSA-N 0 0 194.234 1.650 10 0 ADAERN CC[N@@H+]1CC[C@@H](N(C)CC(F)F)C1 308462345 573907225 /nfs/dbraw/zinc/90/72/25/573907225.db2.gz HYHHBFLDLRYJLZ-MRVPVSSYSA-N 0 0 192.253 1.278 10 0 ADAERN CCO[C@@H]1C[C@H]1[C@@H](O)C1CCCC1 689896081 573907240 /nfs/dbraw/zinc/90/72/40/573907240.db2.gz ZKNCDLLWYWVSEL-MXWKQRLJSA-N 0 0 184.279 1.963 10 0 ADAERN CCC(CC)n1c(C)c[nH]c1=O 238195251 573907241 /nfs/dbraw/zinc/90/72/41/573907241.db2.gz WGCFYVFCNLBRRE-UHFFFAOYSA-N 0 0 168.240 1.846 10 0 ADAERN CC1=N[C@](C)(c2ccccc2)C(=O)N1 238194331 573907246 /nfs/dbraw/zinc/90/72/46/573907246.db2.gz WZZMONMGTRNZHF-LLVKDONJSA-N 0 0 188.230 1.450 10 0 ADAERN C[C@@H](CC(N)=S)CC(F)F 688731097 573907253 /nfs/dbraw/zinc/90/72/53/573907253.db2.gz IUVVPIBNAOZSNZ-SCSAIBSYSA-N 0 0 167.224 1.954 10 0 ADAERN CC1=Nc2c(C)nc(Cl)nc2NC1 238194650 573907684 /nfs/dbraw/zinc/90/76/84/573907684.db2.gz XPRBVQAHLPJHGM-UHFFFAOYSA-N 0 0 196.641 1.956 10 0 ADAERN CC1(C)O[C@H]2C=CCC(=O)[C@H]2O1 238194809 573907688 /nfs/dbraw/zinc/90/76/88/573907688.db2.gz CSMYFOQNWBXUAS-JGVFFNPUSA-N 0 0 168.192 1.036 10 0 ADAERN CCC1(NC(=O)[C@H]2CC23CC3)CC1 335493768 573907265 /nfs/dbraw/zinc/90/72/65/573907265.db2.gz FGAGDHPZFGUOTQ-MRVPVSSYSA-N 0 0 179.263 1.845 10 0 ADAERN O=C(Cc1cnccn1)C1CCC1 259002753 573907294 /nfs/dbraw/zinc/90/72/94/573907294.db2.gz BMIQARLKNPNPRF-UHFFFAOYSA-N 0 0 176.219 1.388 10 0 ADAERN C[C@H](C(=O)N[C@@H]1CC12CC2)C1CC1 335493594 573907297 /nfs/dbraw/zinc/90/72/97/573907297.db2.gz AJSJDRBEQQFQET-IONNQARKSA-N 0 0 179.263 1.701 10 0 ADAERN N#CCC1=CC(=O)C(=O)c2ccccc21 1601643 573907302 /nfs/dbraw/zinc/90/73/02/573907302.db2.gz SLPMXVHDTVILCZ-UHFFFAOYSA-N 0 0 197.193 1.749 10 0 ADAERN O[C@@H]1CC[C@H](OCCC(F)(F)F)C1 131699793 573907314 /nfs/dbraw/zinc/90/73/14/573907314.db2.gz JPSCDZMVLPILPQ-RQJHMYQMSA-N 0 0 198.184 1.869 10 0 ADAERN CC(=O)[C@H](CO)c1cc(C)oc1C 238193534 573907319 /nfs/dbraw/zinc/90/73/19/573907319.db2.gz XUXPEZQCVXGHLR-JTQLQIEISA-N 0 0 182.219 1.561 10 0 ADAERN CCO[C@@H]1OC(=N)c2cnccc21 205804090 573907322 /nfs/dbraw/zinc/90/73/22/573907322.db2.gz JKXFZYXSUQIKIZ-SECBINFHSA-N 0 0 178.191 1.472 10 0 ADAERN C[C@@H]1CC[N@H+](C)CC[C@@H]1CC(=O)[O-] 76630565 573907337 /nfs/dbraw/zinc/90/73/37/573907337.db2.gz ODLPITVNLGQHFU-RKDXNWHRSA-N 0 0 185.267 1.439 10 0 ADAERN CCC(=O)CC1=NC(C)(C)CO1 238195190 573907339 /nfs/dbraw/zinc/90/73/39/573907339.db2.gz YBYLDLVTBJOZHG-UHFFFAOYSA-N 0 0 169.224 1.563 10 0 ADAERN CC1(C)CCC(=O)[C@H](CO)C1 238194718 573907343 /nfs/dbraw/zinc/90/73/43/573907343.db2.gz TZGXXYGTHQKIDH-ZETCQYMHSA-N 0 0 156.225 1.374 10 0 ADAERN CC1=Nc2c(C)nc(N)nc2SC1 238194678 573907366 /nfs/dbraw/zinc/90/73/66/573907366.db2.gz DNQZGXWWCZFCOF-UHFFFAOYSA-N 0 0 194.263 1.565 10 0 ADAERN O[C@@H]1CCC[C@H]1OCCC(F)(F)F 131695932 573907367 /nfs/dbraw/zinc/90/73/67/573907367.db2.gz CIEPLGFGGMVCLB-RNFRBKRXSA-N 0 0 198.184 1.869 10 0 ADAERN CC[C@@H](CO)c1nc(C)c[nH]1 258999930 573907390 /nfs/dbraw/zinc/90/73/90/573907390.db2.gz BZWCNDWQQGXXQN-ZETCQYMHSA-N 0 0 154.213 1.204 10 0 ADAERN CC(C)Cn1[n-]c2c(c1=O)[C@H](C)[NH2+]C2 258178214 573907396 /nfs/dbraw/zinc/90/73/96/573907396.db2.gz UTGCUSRTYAEXGF-ZETCQYMHSA-N 0 0 195.266 1.409 10 0 ADAERN CCN(C)c1cc(C(C)=O)ccn1 87400461 573907415 /nfs/dbraw/zinc/90/74/15/573907415.db2.gz LBCOYXYUXRLPFL-UHFFFAOYSA-N 0 0 178.235 1.740 10 0 ADAERN C[C@@H]1Nc2c(O)cccc2NC1=O 259232569 573907428 /nfs/dbraw/zinc/90/74/28/573907428.db2.gz MPTCJMHEVHARIH-YFKPBYRVSA-N 0 0 178.191 1.145 10 0 ADAERN OC[C@@H]1Cc2cccc(F)c21 258450245 573907431 /nfs/dbraw/zinc/90/74/31/573907431.db2.gz FVXHBPFXNBPHTJ-ZETCQYMHSA-N 0 0 152.168 1.458 10 0 ADAERN Cc1cnccc1-c1ccc(=O)[nH]n1 235791364 573907435 /nfs/dbraw/zinc/90/74/35/573907435.db2.gz VOHSVZFTQPPEMO-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CC(C)(C)Oc1ncc(CO)s1 642821895 573907464 /nfs/dbraw/zinc/90/74/64/573907464.db2.gz WVQMYKUNZZLFMA-UHFFFAOYSA-N 0 0 186.256 1.541 10 0 ADAERN C[C@@H](O)[C@@H](C)OCCC(F)(F)F 131695282 573907473 /nfs/dbraw/zinc/90/74/73/573907473.db2.gz YHKBRUYOHIXPJX-PHDIDXHHSA-N 0 0 186.173 1.725 10 0 ADAERN CCC(CC)[C@](C)([NH3+])C(=O)[O-] 238193313 573907475 /nfs/dbraw/zinc/90/74/75/573907475.db2.gz XFLIUNKDZMRNPV-QMMMGPOBSA-N 0 0 159.229 1.225 10 0 ADAERN CC[C@](C)(O)CC[C@@H](C)O 80675911 573907484 /nfs/dbraw/zinc/90/74/84/573907484.db2.gz NKWKZLRCUPYPSO-SFYZADRCSA-N 0 0 146.230 1.308 10 0 ADAERN CC[C@H](C)[C@@H](NN)[C@](C)(CC)OC 253004452 573907490 /nfs/dbraw/zinc/90/74/90/573907490.db2.gz LVZBFGORSBHIBW-AEJSXWLSSA-N 0 0 188.315 1.680 10 0 ADAERN CCOC(=O)CN(C)Cc1ccc[nH]1 259232155 573907500 /nfs/dbraw/zinc/90/75/00/573907500.db2.gz YOPCRFRQIYZRIR-UHFFFAOYSA-N 0 0 196.250 1.010 10 0 ADAERN Cc1ccc([C@@]2(C)OC[C@@H](CO)O2)o1 258450000 573907509 /nfs/dbraw/zinc/90/75/09/573907509.db2.gz DBDVMRQSKZDGPI-SCZZXKLOSA-N 0 0 198.218 1.168 10 0 ADAERN C[C@H]1CN(C(=O)c2ccccc2)C1=O 45820467 573907516 /nfs/dbraw/zinc/90/75/16/573907516.db2.gz SEWVDVCSLXYNLY-QMMMGPOBSA-N 0 0 189.214 1.305 10 0 ADAERN C[N@@H+]1CCC[C@@H]1c1cc(C(=O)[O-])no1 258178216 573907527 /nfs/dbraw/zinc/90/75/27/573907527.db2.gz UTKHMKMMNLSLOV-SSDOTTSWSA-N 0 0 196.206 1.140 10 0 ADAERN CN(c1cc[nH]c1)c1nnns1 258999821 573907551 /nfs/dbraw/zinc/90/75/51/573907551.db2.gz NCQUPHGKSIQDQF-UHFFFAOYSA-N 0 0 181.224 1.029 10 0 ADAERN CCOc1ccc(NC=O)cn1 87400337 573907563 /nfs/dbraw/zinc/90/75/63/573907563.db2.gz VCCIGLAEDWNHHP-UHFFFAOYSA-N 0 0 166.180 1.049 10 0 ADAERN CCC[C@@H]1OC[C@H](CC)N1C(C)=O 307999636 573907568 /nfs/dbraw/zinc/90/75/68/573907568.db2.gz RMHFQFPPQWGNAU-UWVGGRQHSA-N 0 0 185.267 1.770 10 0 ADAERN O=C1CN=C2C=CC=C(Cl)N12 258445902 573907594 /nfs/dbraw/zinc/90/75/94/573907594.db2.gz FMYLOXGFODTQMP-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN Cn1nc(C(C)(C)C)c(Cl)c1N 87418595 573907597 /nfs/dbraw/zinc/90/75/97/573907597.db2.gz ZEIQHBGPFFWLAR-UHFFFAOYSA-N 0 0 187.674 1.953 10 0 ADAERN C[C@H](O)[C@@H]1CCCC[C@H]1F 258450224 573907610 /nfs/dbraw/zinc/90/76/10/573907610.db2.gz FUJJBFAYYFDJFR-BIIVOSGPSA-N 0 0 146.205 1.896 10 0 ADAERN CC1(C)CNc2cccc(CO)c2O1 259232226 573907619 /nfs/dbraw/zinc/90/76/19/573907619.db2.gz MNCDASIOSQNHSR-UHFFFAOYSA-N 0 0 193.246 1.762 10 0 ADAERN C[C@@H]1C[C@@]1(CO)C1CCC1 259000035 573907625 /nfs/dbraw/zinc/90/76/25/573907625.db2.gz MTFVIXSQJQAVKE-APPZFPTMSA-N 0 0 140.226 1.805 10 0 ADAERN CC(=O)C[S@@](=O)CC(C)(C)C 222605395 573907634 /nfs/dbraw/zinc/90/76/34/573907634.db2.gz ZVSIDCLMBOCRQJ-LLVKDONJSA-N 0 0 176.281 1.370 10 0 ADAERN COC1=CC2=NC(=O)CN2C=C1 258450240 573907642 /nfs/dbraw/zinc/90/76/42/573907642.db2.gz FVXASIOUCRYSTQ-UHFFFAOYSA-N 0 0 164.164 1.049 10 0 ADAERN CC1(C)CCC(=O)[C@]2(C)O[C@]12C 238195040 573907643 /nfs/dbraw/zinc/90/76/43/573907643.db2.gz QNELWSBVOQLBAA-VHSXEESVSA-N 0 0 168.236 1.923 10 0 ADAERN CC1(C)CCC([C@H]([NH3+])C(=O)[O-])CC1 76630726 573907655 /nfs/dbraw/zinc/90/76/55/573907655.db2.gz UBHUCKXNUHHPNZ-QMMMGPOBSA-N 0 0 185.267 1.615 10 0 ADAERN Nc1nnc(C[C@@H]2CCCCO2)s1 87419782 573913591 /nfs/dbraw/zinc/91/35/91/573913591.db2.gz LXEYJFIIFQLXPO-LURJTMIESA-N 0 0 199.279 1.232 10 0 ADAERN Cc1cccc2c1[C@@H](CON)CN2C 257896958 573907671 /nfs/dbraw/zinc/90/76/71/573907671.db2.gz AFRHVPKCDWFMDY-SECBINFHSA-N 0 0 192.262 1.419 10 0 ADAERN CONCc1ccccc1OC1CC1 258179054 573913633 /nfs/dbraw/zinc/91/36/33/573913633.db2.gz WKSHPNNDPNUNKY-UHFFFAOYSA-N 0 0 193.246 1.879 10 0 ADAERN Cc1ccc(C(=O)OC(C)C)[nH]c1=O 238183643 573913636 /nfs/dbraw/zinc/91/36/36/573913636.db2.gz QJMBJQHLVRMPAT-UHFFFAOYSA-N 0 0 195.218 1.249 10 0 ADAERN Cc1cnccc1-c1cncc(=O)[nH]1 235792169 573913639 /nfs/dbraw/zinc/91/36/39/573913639.db2.gz AXHOECLLYSSPDJ-UHFFFAOYSA-N 0 0 187.202 1.140 10 0 ADAERN CC(=O)[C@@]1(C)CC=C(C)[C@@]1(C)O 238182649 573913643 /nfs/dbraw/zinc/91/36/43/573913643.db2.gz ZTLKODBANOSLON-NXEZZACHSA-N 0 0 168.236 1.683 10 0 ADAERN CC(C)[C@@H]1CC(=O)[C@@H]2O[C@@H]2C1 238195785 573913658 /nfs/dbraw/zinc/91/36/58/573913658.db2.gz WRXIEYRZVMQBAF-VDAHYXPESA-N 0 0 154.209 1.389 10 0 ADAERN CC(C)(C)CC(=O)Nc1n[nH]cc1N 87419021 573913710 /nfs/dbraw/zinc/91/37/10/573913710.db2.gz RPACPSLRWVAKOI-UHFFFAOYSA-N 0 0 196.254 1.367 10 0 ADAERN COC[C@H](C)C[C@]1(O)C[C@H]1C 87438560 573913724 /nfs/dbraw/zinc/91/37/24/573913724.db2.gz GDUIWWDGKFIVLV-HLTSFMKQSA-N 0 0 158.241 1.430 10 0 ADAERN COCCC[C@]1(O)C[C@@H]1C 87438570 573913729 /nfs/dbraw/zinc/91/37/29/573913729.db2.gz AKMYIIRNSQVONB-YUMQZZPRSA-N 0 0 144.214 1.184 10 0 ADAERN c1ncc(NC2CCSCC2)cn1 76636647 573913736 /nfs/dbraw/zinc/91/37/36/573913736.db2.gz GASVUUIOMKCCKX-UHFFFAOYSA-N 0 0 195.291 1.784 10 0 ADAERN Cc1cccc2c1NC(=O)C1(CC1)O2 259238714 573913746 /nfs/dbraw/zinc/91/37/46/573913746.db2.gz MZMUIVUTXYFFEV-UHFFFAOYSA-N 0 0 189.214 1.859 10 0 ADAERN CN1CC[C@H](Cc2ccco2)C(=O)C1 76635773 573913749 /nfs/dbraw/zinc/91/37/49/573913749.db2.gz MLLFVQLPNGOABE-SECBINFHSA-N 0 0 193.246 1.343 10 0 ADAERN C[C@H]1[C@@H](CO)CC(=O)N1C1CCCC1 259237040 573913754 /nfs/dbraw/zinc/91/37/54/573913754.db2.gz DRTPSDSDUQGFQK-DTWKUNHWSA-N 0 0 197.278 1.158 10 0 ADAERN Nc1c[nH]nc1NC(=O)C1CCCC1 87419099 573913755 /nfs/dbraw/zinc/91/37/55/573913755.db2.gz GSQUDUJEGNNNJZ-UHFFFAOYSA-N 0 0 194.238 1.121 10 0 ADAERN CCCCC(=O)Nc1n[nH]c(C)c1N 87419313 573913762 /nfs/dbraw/zinc/91/37/62/573913762.db2.gz OUCJJTFEWAHIRI-UHFFFAOYSA-N 0 0 196.254 1.429 10 0 ADAERN CN=Nc1ccccc1 1692376 573913765 /nfs/dbraw/zinc/91/37/65/573913765.db2.gz FWTFCJFGBSEGFO-UHFFFAOYSA-N 0 0 120.155 1.714 10 0 ADAERN COC(=O)c1nc(C)cc(C(C)C)n1 259004149 573913776 /nfs/dbraw/zinc/91/37/76/573913776.db2.gz DLQKVNFWHMUOGV-UHFFFAOYSA-N 0 0 194.234 1.695 10 0 ADAERN CC1(C)CC(=O)[C@@H](O)[C@](C)(Cl)C1 238182594 573913784 /nfs/dbraw/zinc/91/37/84/573913784.db2.gz FGVUKQHTFQJELL-VXNVDRBHSA-N 0 0 190.670 1.734 10 0 ADAERN C[C@@H](O)C(F)(F)C[C@@H]1CCCO1 257898015 573913808 /nfs/dbraw/zinc/91/38/08/573913808.db2.gz OJROYHAJXSPHPS-RQJHMYQMSA-N 0 0 180.194 1.572 10 0 ADAERN CCCC(=O)Nc1n[nH]c(C)c1N 87419251 573913825 /nfs/dbraw/zinc/91/38/25/573913825.db2.gz WKYIQTWJYLEZQH-UHFFFAOYSA-N 0 0 182.227 1.039 10 0 ADAERN Cc1cn(C(C)C)nc1CO 238182647 573913838 /nfs/dbraw/zinc/91/38/38/573913838.db2.gz MUZQSQKEEFFNNO-UHFFFAOYSA-N 0 0 154.213 1.265 10 0 ADAERN CC(C)CCC(=O)Nc1n[nH]cc1N 87419129 573913842 /nfs/dbraw/zinc/91/38/42/573913842.db2.gz ZOQOPAUJJFPUDW-UHFFFAOYSA-N 0 0 196.254 1.367 10 0 ADAERN OC1(C[C@@H]2CCCCO2)CC1 87420082 573913854 /nfs/dbraw/zinc/91/38/54/573913854.db2.gz NLKVARRNMDECSW-QMMMGPOBSA-N 0 0 156.225 1.471 10 0 ADAERN CC(C)COC(=O)Nc1n[nH]cc1N 87419526 573913871 /nfs/dbraw/zinc/91/38/71/573913871.db2.gz GLLSJZMOHITFSG-UHFFFAOYSA-N 0 0 198.226 1.196 10 0 ADAERN COC[C@H](C)C[C@@]1(O)C[C@H]1C 87438556 573913877 /nfs/dbraw/zinc/91/38/77/573913877.db2.gz GDUIWWDGKFIVLV-IWSPIJDZSA-N 0 0 158.241 1.430 10 0 ADAERN CC(C)(C)[C@@](C)(O)C(F)(F)CN 257898135 573913878 /nfs/dbraw/zinc/91/38/78/573913878.db2.gz ONLOAOOYNXQKQA-SSDOTTSWSA-N 0 0 181.226 1.378 10 0 ADAERN CC(C)[C@H](C)[NH2+][C@](C)(C(=O)[O-])C1CC1 41728917 573913904 /nfs/dbraw/zinc/91/39/04/573913904.db2.gz QGAQRCTUVPYZAA-KWQFWETISA-N 0 0 199.294 1.874 10 0 ADAERN Cc1[nH]nc(NC(=O)C(C)(C)C)c1N 87419269 573913928 /nfs/dbraw/zinc/91/39/28/573913928.db2.gz DKROVPWDNOQKEV-UHFFFAOYSA-N 0 0 196.254 1.285 10 0 ADAERN CCc1n[nH]c(C[C@@H]2CCCCO2)n1 87419792 573913941 /nfs/dbraw/zinc/91/39/41/573913941.db2.gz QKJFOTIXMQOSAI-QMMMGPOBSA-N 0 0 195.266 1.479 10 0 ADAERN CC[C@@H](C)[N@H+](CC)C(C)(C)C(=O)[O-] 41874304 573913942 /nfs/dbraw/zinc/91/39/42/573913942.db2.gz JVFRMGJOUBKRRR-MRVPVSSYSA-N 0 0 187.283 1.970 10 0 ADAERN OCc1ncoc1C[C@@H]1CCCCO1 87420221 573913987 /nfs/dbraw/zinc/91/39/87/573913987.db2.gz YYRATWRWYDUCMQ-QMMMGPOBSA-N 0 0 197.234 1.279 10 0 ADAERN CC(C)c1n[nH]c2c1c(C=O)cn2C 76635041 573913994 /nfs/dbraw/zinc/91/39/94/573913994.db2.gz ZWBKKVYTVPSTQT-UHFFFAOYSA-N 0 0 191.234 1.837 10 0 ADAERN CCC[C@@H](C)C(=O)Nc1n[nH]cc1N 87419078 573913995 /nfs/dbraw/zinc/91/39/95/573913995.db2.gz ZLWZGWAVJGXPJP-ZCFIWIBFSA-N 0 0 196.254 1.367 10 0 ADAERN COC(=O)[C@@H](F)C[C@H]1CCCOC1 257898219 573914005 /nfs/dbraw/zinc/91/40/05/573914005.db2.gz YJIXTCLLOGTZTL-SFYZADRCSA-N 0 0 190.214 1.314 10 0 ADAERN C[C@](O)(CO)CCc1cccc(F)c1 257897330 573914010 /nfs/dbraw/zinc/91/40/10/573914010.db2.gz VJRZDMAOUBMGKR-LLVKDONJSA-N 0 0 198.237 1.502 10 0 ADAERN CC(C)[C@H](C)[NH2+][C@@](C)(C(=O)[O-])C1CC1 41728927 573914081 /nfs/dbraw/zinc/91/40/81/573914081.db2.gz QGAQRCTUVPYZAA-GZMMTYOYSA-N 0 0 199.294 1.874 10 0 ADAERN CCC(C)(C)C(=O)Nc1n[nH]cc1N 87419027 573914096 /nfs/dbraw/zinc/91/40/96/573914096.db2.gz PBNJYKZTKTZEFM-UHFFFAOYSA-N 0 0 196.254 1.367 10 0 ADAERN COCCCc1nnc(Cl)s1 87438665 573914117 /nfs/dbraw/zinc/91/41/17/573914117.db2.gz RCSCPCHJMWDQKY-UHFFFAOYSA-N 0 0 192.671 1.771 10 0 ADAERN O[C@@H]1CCc2nc(C3CCC3)[nH]c2C1 257897162 573914141 /nfs/dbraw/zinc/91/41/41/573914141.db2.gz HDCCWQOCDATCGE-MRVPVSSYSA-N 0 0 192.262 1.527 10 0 ADAERN COC(=O)/C=C/c1sc(C)nc1C 84817880 573914149 /nfs/dbraw/zinc/91/41/49/573914149.db2.gz MFWRJQPRNATOTI-SNAWJCMRSA-N 0 0 197.259 1.946 10 0 ADAERN C[N@@H+]1CC[C@H](F)[C@](C)(C(=O)[O-])CC1 257898151 573914165 /nfs/dbraw/zinc/91/41/65/573914165.db2.gz YGWKRLGSSXJITO-IONNQARKSA-N 0 0 189.230 1.141 10 0 ADAERN CNOCCCc1ccccc1 257897440 573914175 /nfs/dbraw/zinc/91/41/75/573914175.db2.gz HKLJLQDZFBNQJF-UHFFFAOYSA-N 0 0 165.236 1.770 10 0 ADAERN Cc1nc(C)c(C2(CO)COC2)s1 259237004 573914176 /nfs/dbraw/zinc/91/41/76/573914176.db2.gz JMIJJAMVUJEXLD-UHFFFAOYSA-N 0 0 199.275 1.020 10 0 ADAERN O=C1CCOc2cc(F)ccc2N1 87439590 573914198 /nfs/dbraw/zinc/91/41/98/573914198.db2.gz AYOBUJAQENOCEF-UHFFFAOYSA-N 0 0 181.166 1.547 10 0 ADAERN Oc1ccccc1-n1nncc1Cl 258180354 573914207 /nfs/dbraw/zinc/91/42/07/573914207.db2.gz UYMIKOWEMNDAAT-UHFFFAOYSA-N 0 0 195.609 1.626 10 0 ADAERN C[C@@H]1Nc2cc(F)c(N)cc2NC1=O 76636317 573914218 /nfs/dbraw/zinc/91/42/18/573914218.db2.gz LAAJBHZKDXMZGR-BYPYZUCNSA-N 0 0 195.197 1.160 10 0 ADAERN C/C(=C/[C@H](O)C1CCCCC1)CO 215483672 573914220 /nfs/dbraw/zinc/91/42/20/573914220.db2.gz NGRSHAINMXMPIE-DVBBHNHCSA-N 0 0 184.279 1.866 10 0 ADAERN C[C@@H]1COc2ccc(O)cc2NC1=O 259238439 573914241 /nfs/dbraw/zinc/91/42/41/573914241.db2.gz MYDOVXSROBDNAU-ZCFIWIBFSA-N 0 0 193.202 1.359 10 0 ADAERN Cn1cc(C=O)c(CC(F)(F)F)c1 76634826 573914244 /nfs/dbraw/zinc/91/42/44/573914244.db2.gz GHJNTTCUUCFOJL-UHFFFAOYSA-N 0 0 191.152 1.942 10 0 ADAERN COC(=O)[C@@H](F)C[C@@H]1CCCOC1 257898220 573914249 /nfs/dbraw/zinc/91/42/49/573914249.db2.gz YJIXTCLLOGTZTL-YUMQZZPRSA-N 0 0 190.214 1.314 10 0 ADAERN COC(=O)[C@H](F)C[C@@H]1CCCCO1 257898198 573914258 /nfs/dbraw/zinc/91/42/58/573914258.db2.gz YIKHBWLONVVIEU-JGVFFNPUSA-N 0 0 190.214 1.457 10 0 ADAERN COc1cc2cccnc2[nH]1 145068086 573914259 /nfs/dbraw/zinc/91/42/59/573914259.db2.gz YFLZLBAMZIYMTP-UHFFFAOYSA-N 0 0 148.165 1.572 10 0 ADAERN CCC[C@H](C)C(=O)Nc1n[nH]cc1N 87419079 573914261 /nfs/dbraw/zinc/91/42/61/573914261.db2.gz ZLWZGWAVJGXPJP-LURJTMIESA-N 0 0 196.254 1.367 10 0 ADAERN C[C@H](O)C(F)(F)C[C@H]1CCCO1 257898011 573914909 /nfs/dbraw/zinc/91/49/09/573914909.db2.gz OJROYHAJXSPHPS-NKWVEPMBSA-N 0 0 180.194 1.572 10 0 ADAERN Nc1ncnc(-c2ccc(F)cc2)n1 84736773 573914923 /nfs/dbraw/zinc/91/49/23/573914923.db2.gz MDAWRCVFGQCYFM-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN O[C@H]1CCc2nc(C3CCC3)[nH]c2C1 257897168 573914936 /nfs/dbraw/zinc/91/49/36/573914936.db2.gz HDCCWQOCDATCGE-QMMMGPOBSA-N 0 0 192.262 1.527 10 0 ADAERN CC1(C)C([C@@H]2CNC(=O)C2)C1(C)C 238195863 573914954 /nfs/dbraw/zinc/91/49/54/573914954.db2.gz XWSUEWOVIOZWKF-ZETCQYMHSA-N 0 0 181.279 1.805 10 0 ADAERN CC(C)[C@H](C[NH2+]CC1CCC1)C(=O)[O-] 259003644 573914962 /nfs/dbraw/zinc/91/49/62/573914962.db2.gz OCHLBUZFIRFGPO-JTQLQIEISA-N 0 0 199.294 1.733 10 0 ADAERN OCC[C@@]1(O)CCc2ccccc2C1 145068318 573914966 /nfs/dbraw/zinc/91/49/66/573914966.db2.gz OLMHYKQBUUHWCS-LBPRGKRZSA-N 0 0 192.258 1.289 10 0 ADAERN COC(=O)CCCN(C)c1ccc[nH]1 259004424 573914281 /nfs/dbraw/zinc/91/42/81/573914281.db2.gz ZKFIRNUQFAMSET-UHFFFAOYSA-N 0 0 196.250 1.404 10 0 ADAERN C[C@@H]1CCCN1C(=O)N[C@H]1CC12CC2 335142431 573914330 /nfs/dbraw/zinc/91/43/30/573914330.db2.gz VANYCYGSCAJLHG-BDAKNGLRSA-N 0 0 194.278 1.733 10 0 ADAERN CC1=NCc2c(C)cc(C)nc2N1 238195858 573914344 /nfs/dbraw/zinc/91/43/44/573914344.db2.gz FTNHCMPFHHFPAV-UHFFFAOYSA-N 0 0 175.235 1.852 10 0 ADAERN CN(CO)c1ccc(Cl)s1 259002234 573914347 /nfs/dbraw/zinc/91/43/47/573914347.db2.gz ZCGDQHFBWFTTCS-UHFFFAOYSA-N 0 0 177.656 1.788 10 0 ADAERN CC(=O)[C@@]1(Cl)CCCC[C@H]1O 238184744 573914353 /nfs/dbraw/zinc/91/43/53/573914353.db2.gz IZQODLUQVXODPQ-SFYZADRCSA-N 0 0 176.643 1.488 10 0 ADAERN CCCCC(=O)Nc1c(N)cnn1C 87419215 573914363 /nfs/dbraw/zinc/91/43/63/573914363.db2.gz RTHYXXBMECDKDQ-UHFFFAOYSA-N 0 0 196.254 1.131 10 0 ADAERN CC(C)Cc1nc2c(o1)CNC[C@H]2O 76636860 573914374 /nfs/dbraw/zinc/91/43/74/573914374.db2.gz OHGVZWSGWLHVOV-SSDOTTSWSA-N 0 0 196.250 1.010 10 0 ADAERN c1coc(CNC2CCC2)n1 257897408 573914396 /nfs/dbraw/zinc/91/43/96/573914396.db2.gz NNAJJRUWCKPMNQ-UHFFFAOYSA-N 0 0 152.197 1.317 10 0 ADAERN COC[C@H](C)C[C@@]1(O)C[C@@H]1C 87438558 573914397 /nfs/dbraw/zinc/91/43/97/573914397.db2.gz GDUIWWDGKFIVLV-HRDYMLBCSA-N 0 0 158.241 1.430 10 0 ADAERN CNc1ncnnc1-c1ccccc1 259237466 573914402 /nfs/dbraw/zinc/91/44/02/573914402.db2.gz OZHYORMPDVITJQ-UHFFFAOYSA-N 0 0 186.218 1.580 10 0 ADAERN CN(C)c1ccc(NC2COC2)cc1 76635551 573914405 /nfs/dbraw/zinc/91/44/05/573914405.db2.gz WBKAYJKQRLGLCR-UHFFFAOYSA-N 0 0 192.262 1.563 10 0 ADAERN Nc1nsc(C[C@H]2CCCCO2)n1 87420142 573914411 /nfs/dbraw/zinc/91/44/11/573914411.db2.gz CLLLQDVWWBTTJU-ZCFIWIBFSA-N 0 0 199.279 1.232 10 0 ADAERN Cc1cc2c(o1)C[NH2+]C[C@H]2CC(=O)[O-] 76636333 573914430 /nfs/dbraw/zinc/91/44/30/573914430.db2.gz CENDPIDQDCQGRY-SSDOTTSWSA-N 0 0 195.218 1.250 10 0 ADAERN CC(C)=CCC[C@H]1O[C@H]1CO 197123914 573914437 /nfs/dbraw/zinc/91/44/37/573914437.db2.gz ONPMQDWYFORERY-BDAKNGLRSA-N 0 0 156.225 1.493 10 0 ADAERN OC[C@@H](F)Cc1ccc(O)cc1 258457268 573914971 /nfs/dbraw/zinc/91/49/71/573914971.db2.gz GRYTXPYTLRVUPY-QMMMGPOBSA-N 0 0 170.183 1.265 10 0 ADAERN [NH3+][C@H](C1CCCCC1)[C@@H]1C[C@@H]1C(=O)[O-] 259235998 573914478 /nfs/dbraw/zinc/91/44/78/573914478.db2.gz HLIQPZXCYPOYJC-KXUCPTDWSA-N 0 0 197.278 1.615 10 0 ADAERN CC1(C)O[C@@H]1C[C@H]1CCCC1=O 238184318 573914493 /nfs/dbraw/zinc/91/44/93/573914493.db2.gz ILQIZSLCGNMOEX-VXNVDRBHSA-N 0 0 168.236 1.923 10 0 ADAERN NCc1ncc(C[C@H]2CCCCO2)o1 87420154 573914499 /nfs/dbraw/zinc/91/44/99/573914499.db2.gz VZVIHTMELCZEQO-MRVPVSSYSA-N 0 0 196.250 1.245 10 0 ADAERN OC1(C[C@@H]2CCCOC2)CCC1 257923887 573914515 /nfs/dbraw/zinc/91/45/15/573914515.db2.gz GLEZUDPSUXBFQW-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN CN1CCC[C@H](NCC(F)(F)F)C1 76636807 573914523 /nfs/dbraw/zinc/91/45/23/573914523.db2.gz WBSFVCLIINIKCE-ZETCQYMHSA-N 0 0 196.216 1.233 10 0 ADAERN C[C@H](c1ccc(C(=O)[O-])n1C)[NH+](C)C 257898116 573914543 /nfs/dbraw/zinc/91/45/43/573914543.db2.gz YFKMCKBZINVJPL-SSDOTTSWSA-N 0 0 196.250 1.346 10 0 ADAERN CN(C)c1cc(CO)ccc1Cl 259581756 573914548 /nfs/dbraw/zinc/91/45/48/573914548.db2.gz YHIODUDSGHRSQV-UHFFFAOYSA-N 0 0 185.654 1.898 10 0 ADAERN Cc1cc(C)n2c(C=O)c(C)nc2n1 84827697 573914554 /nfs/dbraw/zinc/91/45/54/573914554.db2.gz RNOVOPNTNKYFQN-UHFFFAOYSA-N 0 0 189.218 1.467 10 0 ADAERN C[C@H]1[C@H](c2ccccc2)OCN1CO 145064015 573914565 /nfs/dbraw/zinc/91/45/65/573914565.db2.gz PCBMTPKDENUAOQ-GXSJLCMTSA-N 0 0 193.246 1.356 10 0 ADAERN C[C@H]1[C@@H](c2ccccc2)OCN1CO 145064397 573914576 /nfs/dbraw/zinc/91/45/76/573914576.db2.gz PCBMTPKDENUAOQ-ONGXEEELSA-N 0 0 193.246 1.356 10 0 ADAERN CC(=O)CNc1ccc2[nH]cnc2c1 259002122 573914583 /nfs/dbraw/zinc/91/45/83/573914583.db2.gz YZFSQPMWSZJQHV-UHFFFAOYSA-N 0 0 189.218 1.564 10 0 ADAERN CC[C@@](C)(CO)Nc1ccc(F)cn1 80882647 573914610 /nfs/dbraw/zinc/91/46/10/573914610.db2.gz ZWDRVWANDHIAQI-JTQLQIEISA-N 0 0 198.241 1.794 10 0 ADAERN C[Si](C)(C)/C=C1\CCNC1=O 215483228 573914615 /nfs/dbraw/zinc/91/46/15/573914615.db2.gz JFAFPDUBRQJKNW-VOTSOKGWSA-N 0 0 169.300 1.310 10 0 ADAERN Cc1nc([C@@H]2CCC[NH2+]2)c(C(=O)[O-])o1 258180497 573914982 /nfs/dbraw/zinc/91/49/82/573914982.db2.gz VAPIQFNFBMKKFK-LURJTMIESA-N 0 0 196.206 1.106 10 0 ADAERN C[N@@H+]1CC[C@@H](F)[C@@](C)(C(=O)[O-])CC1 257898147 573914676 /nfs/dbraw/zinc/91/46/76/573914676.db2.gz YGWKRLGSSXJITO-APPZFPTMSA-N 0 0 189.230 1.141 10 0 ADAERN CC(C)(C)c1nc(NN)cs1 259236929 573914697 /nfs/dbraw/zinc/91/46/97/573914697.db2.gz JKTULIRUKSEEOX-UHFFFAOYSA-N 0 0 171.269 1.726 10 0 ADAERN COc1cccc(OC)c1C(=O)C=O 238383731 573914720 /nfs/dbraw/zinc/91/47/20/573914720.db2.gz VYXKERNEMKDFEL-UHFFFAOYSA-N 0 0 194.186 1.085 10 0 ADAERN C[C@@H]1[C@H](CO)CC(=O)N1C1CCCC1 259237037 573914721 /nfs/dbraw/zinc/91/47/21/573914721.db2.gz DRTPSDSDUQGFQK-BDAKNGLRSA-N 0 0 197.278 1.158 10 0 ADAERN OC[C@H]1Cc2ccc(Cl)cc21 258457124 573914724 /nfs/dbraw/zinc/91/47/24/573914724.db2.gz GPSVNVNRGHMNAO-SSDOTTSWSA-N 0 0 168.623 1.972 10 0 ADAERN C[N@@H+]1CCC[C@@H]1CC(F)(F)C(=O)[O-] 257898206 573914729 /nfs/dbraw/zinc/91/47/29/573914729.db2.gz YIWRAEFXUMCSBX-ZCFIWIBFSA-N 0 0 193.193 1.191 10 0 ADAERN CC[C@H]1CCN1C(=O)N[C@H]1CC12CC2 335137729 573914730 /nfs/dbraw/zinc/91/47/30/573914730.db2.gz OWBJYTFIMDGKNL-IUCAKERBSA-N 0 0 194.278 1.733 10 0 ADAERN NCC(=O)c1c[nH]c2cc(O)ccc12 74274988 573914733 /nfs/dbraw/zinc/91/47/33/573914733.db2.gz LKEMASSHEYBPKK-UHFFFAOYSA-N 0 0 190.202 1.015 10 0 ADAERN CCOc1ccccc1NC1COC1 76635734 573914755 /nfs/dbraw/zinc/91/47/55/573914755.db2.gz FZGMKVOYQAGAOC-UHFFFAOYSA-N 0 0 193.246 1.896 10 0 ADAERN OC[C@@H]1Cc2ccc(Cl)cc21 258457125 573914756 /nfs/dbraw/zinc/91/47/56/573914756.db2.gz GPSVNVNRGHMNAO-ZETCQYMHSA-N 0 0 168.623 1.972 10 0 ADAERN CC(C)OC(C)(C)[C@H](C)O 238185335 573914760 /nfs/dbraw/zinc/91/47/60/573914760.db2.gz AUKWQKRAEANQBC-ZETCQYMHSA-N 0 0 146.230 1.571 10 0 ADAERN c1c[nH]c(-c2ncco2)n1 80864697 573914761 /nfs/dbraw/zinc/91/47/61/573914761.db2.gz RXOBGOMYLRZUPR-UHFFFAOYSA-N 0 0 135.126 1.065 10 0 ADAERN CNOCCC[C@@H]1CCCOC1 257897267 573914773 /nfs/dbraw/zinc/91/47/73/573914773.db2.gz HICVTKVRLJJIEU-VIFPVBQESA-N 0 0 173.256 1.344 10 0 ADAERN Cc1cccc2c1NC(=O)CCO2 87439580 573914805 /nfs/dbraw/zinc/91/48/05/573914805.db2.gz CAFYWIUMKIYSKR-UHFFFAOYSA-N 0 0 177.203 1.716 10 0 ADAERN CC12C(=O)C3(C)C4C1C2C43 238184658 573914806 /nfs/dbraw/zinc/91/48/06/573914806.db2.gz UONRUFITRLENAW-UHFFFAOYSA-N 0 0 134.178 1.087 10 0 ADAERN CC(C)C1CC(O)C1 87440019 573914809 /nfs/dbraw/zinc/91/48/09/573914809.db2.gz SKKCZMZCVUZWCT-UHFFFAOYSA-N 0 0 114.188 1.413 10 0 ADAERN CC(C)[C@H](C)[N@H+](C)C(C)(C)C(=O)[O-] 41877752 573914811 /nfs/dbraw/zinc/91/48/11/573914811.db2.gz ZIGOOJUYIVPTPK-QMMMGPOBSA-N 0 0 187.283 1.826 10 0 ADAERN O=Cc1ccc(N2CC(F)C2)cc1 257898107 573914818 /nfs/dbraw/zinc/91/48/18/573914818.db2.gz OMYOTWWLWKSQQA-UHFFFAOYSA-N 0 0 179.194 1.657 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2SC[C@@H]2C1 259581494 573914844 /nfs/dbraw/zinc/91/48/44/573914844.db2.gz KHTGWZXQSTXWMH-GJMOJQLCSA-N 0 0 186.276 1.691 10 0 ADAERN C[C@H]1Nc2c(ccc(F)c2F)NC1=O 76637467 573914850 /nfs/dbraw/zinc/91/48/50/573914850.db2.gz UBJXTHRZXMEAGV-SCSAIBSYSA-N 0 0 198.172 1.717 10 0 ADAERN NCc1ncc(C[C@@H]2CCCCO2)o1 87420153 573914870 /nfs/dbraw/zinc/91/48/70/573914870.db2.gz VZVIHTMELCZEQO-QMMMGPOBSA-N 0 0 196.250 1.245 10 0 ADAERN CC1(C)CN[C@@H](c2ccco2)OC1 258456899 573914874 /nfs/dbraw/zinc/91/48/74/573914874.db2.gz KKFZDYOIBGEOEE-SECBINFHSA-N 0 0 181.235 1.924 10 0 ADAERN CC(=O)N[C@@](C)(C(C)=O)C(C)C 238195855 573914892 /nfs/dbraw/zinc/91/48/92/573914892.db2.gz HBYFNAWQPYANMO-SECBINFHSA-N 0 0 171.240 1.126 10 0 ADAERN CC[C@@H](CO)C(=O)c1ccncc1 259236756 573914896 /nfs/dbraw/zinc/91/48/96/573914896.db2.gz VLSFUDXWKMOEIA-QMMMGPOBSA-N 0 0 179.219 1.283 10 0 ADAERN COc1cc(O)c(C2(O)CC2)cc1F 258181764 573915004 /nfs/dbraw/zinc/91/50/04/573915004.db2.gz WPLXFXFMFFQHDW-UHFFFAOYSA-N 0 0 198.193 1.521 10 0 ADAERN CCO/C=C/CCCO 80856265 573915023 /nfs/dbraw/zinc/91/50/23/573915023.db2.gz OTOFMCNKBVCMHG-FNORWQNLSA-N 0 0 130.187 1.309 10 0 ADAERN O=Cc1cnc2c(c1)SCCO2 145063639 573915039 /nfs/dbraw/zinc/91/50/39/573915039.db2.gz RMAKHAVQHNGDEE-UHFFFAOYSA-N 0 0 181.216 1.379 10 0 ADAERN O=C1C[C@@H](CO)[C@@H](c2ccccc2)O1 80865657 573915050 /nfs/dbraw/zinc/91/50/50/573915050.db2.gz KYONCAPZRGCEGK-GXSJLCMTSA-N 0 0 192.214 1.283 10 0 ADAERN COC(=O)[C@H](F)C[C@H]1CCCOC1 257898217 573915051 /nfs/dbraw/zinc/91/50/51/573915051.db2.gz YJIXTCLLOGTZTL-HTQZYQBOSA-N 0 0 190.214 1.314 10 0 ADAERN CCc1csc(CCC(=O)OC)n1 259240087 573915060 /nfs/dbraw/zinc/91/50/60/573915060.db2.gz NBOULTSZOABPTL-UHFFFAOYSA-N 0 0 199.275 1.811 10 0 ADAERN O[C@H]1CCO[C@@H]1c1ccccc1 80873343 573915063 /nfs/dbraw/zinc/91/50/63/573915063.db2.gz IVSJPOQKBYMUOG-VHSXEESVSA-N 0 0 164.204 1.509 10 0 ADAERN C[C@@H]1Nc2c(ccc(F)c2F)NC1=O 76637470 573915078 /nfs/dbraw/zinc/91/50/78/573915078.db2.gz UBJXTHRZXMEAGV-BYPYZUCNSA-N 0 0 198.172 1.717 10 0 ADAERN CC(=O)[C@@]1(F)CCCC[C@H]1O 238184965 573915100 /nfs/dbraw/zinc/91/51/00/573915100.db2.gz IEHBDPFVQQBIAV-SFYZADRCSA-N 0 0 160.188 1.219 10 0 ADAERN C[C@]1(c2ccco2)CC[C@H](C(=O)[O-])[NH2+]1 76636345 573915106 /nfs/dbraw/zinc/91/51/06/573915106.db2.gz RFVNOQUEFXGSDR-GMSGAONNSA-N 0 0 195.218 1.331 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@@H](C)[NH+](C)C 259239950 573915111 /nfs/dbraw/zinc/91/51/11/573915111.db2.gz BDFSKPUFWIHPPA-SFYZADRCSA-N 0 0 173.256 1.293 10 0 ADAERN CCC1(CC)CC(O)C1 87440027 573915137 /nfs/dbraw/zinc/91/51/37/573915137.db2.gz JSGDENWTMKJTJA-UHFFFAOYSA-N 0 0 128.215 1.948 10 0 ADAERN O=C1C[C@H](CO)[C@@H](c2ccccc2)O1 80865666 573915157 /nfs/dbraw/zinc/91/51/57/573915157.db2.gz KYONCAPZRGCEGK-MWLCHTKSSA-N 0 0 192.214 1.283 10 0 ADAERN COCCC[C@@]1(O)C[C@H]1C 87438564 573915162 /nfs/dbraw/zinc/91/51/62/573915162.db2.gz AKMYIIRNSQVONB-HTQZYQBOSA-N 0 0 144.214 1.184 10 0 ADAERN CC(=O)[C@@]1(O)CCCC[C@H]1F 238185552 573915163 /nfs/dbraw/zinc/91/51/63/573915163.db2.gz FIGATCIXYJFURQ-SFYZADRCSA-N 0 0 160.188 1.219 10 0 ADAERN O=C1NCC[C@@H](C2CCC2)O1 258457484 573915166 /nfs/dbraw/zinc/91/51/66/573915166.db2.gz GTMZXOCAVCBXED-ZETCQYMHSA-N 0 0 155.197 1.285 10 0 ADAERN CC(C)[C@H]1[C@H](C(=O)[O-])CCCC[N@@H+]1C 238185420 573915176 /nfs/dbraw/zinc/91/51/76/573915176.db2.gz KXELTXGMIKSJPH-ZJUUUORDSA-N 0 0 199.294 1.828 10 0 ADAERN COC(=O)[C@@H](F)C[C@@H]1CCCCO1 257898200 573915177 /nfs/dbraw/zinc/91/51/77/573915177.db2.gz YIKHBWLONVVIEU-YUMQZZPRSA-N 0 0 190.214 1.457 10 0 ADAERN [NH3+][C@H](CC(=O)[O-])Sc1ccccc1 259237771 573915178 /nfs/dbraw/zinc/91/51/78/573915178.db2.gz NRZPWQQYPJOBTB-QMMMGPOBSA-N 0 0 197.259 1.538 10 0 ADAERN CC(=O)[C@@]1(Cl)OC1(C)C 238184879 573915201 /nfs/dbraw/zinc/91/52/01/573915201.db2.gz UWYSSIGIJOGFDW-ZCFIWIBFSA-N 0 0 148.589 1.319 10 0 ADAERN CC(=O)CNc1ncc(C(C)C)cn1 259237532 573915210 /nfs/dbraw/zinc/91/52/10/573915210.db2.gz KNZUIOOTMONCSS-UHFFFAOYSA-N 0 0 193.250 1.601 10 0 ADAERN CC(C)n1[nH]c(=O)c2c1CCC2 258457316 573915212 /nfs/dbraw/zinc/91/52/12/573915212.db2.gz GSDPQGZWIDYEQB-UHFFFAOYSA-N 0 0 166.224 1.658 10 0 ADAERN Nc1ncnc(-c2cccc(F)c2)n1 84736779 573915219 /nfs/dbraw/zinc/91/52/19/573915219.db2.gz YLINWPHBSTVNBC-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN CN1CC[C@@H](Cc2ccco2)C(=O)C1 76635774 573915230 /nfs/dbraw/zinc/91/52/30/573915230.db2.gz MLLFVQLPNGOABE-VIFPVBQESA-N 0 0 193.246 1.343 10 0 ADAERN COC(=O)[C@@H]1CC[C@H]2SC[C@H]2C1 259581485 573915241 /nfs/dbraw/zinc/91/52/41/573915241.db2.gz KHTGWZXQSTXWMH-BWZBUEFSSA-N 0 0 186.276 1.691 10 0 ADAERN COCCC[C@]1(O)C[C@H]1C 87438567 573915259 /nfs/dbraw/zinc/91/52/59/573915259.db2.gz AKMYIIRNSQVONB-SFYZADRCSA-N 0 0 144.214 1.184 10 0 ADAERN CCOc1nc2c(N)cccc2o1 87439633 573915283 /nfs/dbraw/zinc/91/52/83/573915283.db2.gz QZSMZWWVKKBKIK-UHFFFAOYSA-N 0 0 178.191 1.809 10 0 ADAERN CCCCCCN1CNC2(CC2)C1=O 127562439 573915291 /nfs/dbraw/zinc/91/52/91/573915291.db2.gz IFRGXEKNCWRLEO-UHFFFAOYSA-N 0 0 196.294 1.489 10 0 ADAERN CNOCCc1ccc(C)cc1 258455147 573915300 /nfs/dbraw/zinc/91/53/00/573915300.db2.gz GNFIKVBCPCTLEQ-UHFFFAOYSA-N 0 0 165.236 1.689 10 0 ADAERN COC[C@@H](C)CC1(O)CC1 87438548 573915303 /nfs/dbraw/zinc/91/53/03/573915303.db2.gz QCNAHGGPTOPXSY-ZETCQYMHSA-N 0 0 144.214 1.184 10 0 ADAERN CC1C[C@H](C)C(NC=O)[C@@H](C)C1 238184331 573915316 /nfs/dbraw/zinc/91/53/16/573915316.db2.gz ICVHAYFLGWRODC-ZNHWEVIXSA-N 0 0 169.268 1.803 10 0 ADAERN CC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)[NH2+]2 238184198 573915320 /nfs/dbraw/zinc/91/53/20/573915320.db2.gz NJCOBUCDHAFVAZ-JZVMUCMXSA-N 0 0 195.262 1.382 10 0 ADAERN CC(C)[C@@H]1C(=O)CCC(=O)[C@H]1C 238185565 573915332 /nfs/dbraw/zinc/91/53/32/573915332.db2.gz ATJPSLOFBWPJPB-XCBNKYQSSA-N 0 0 168.236 1.827 10 0 ADAERN Cc1ncc(N[C@H]2CCCOC2)cn1 76635831 573915334 /nfs/dbraw/zinc/91/53/34/573915334.db2.gz QLQMLSCEFSEALT-VIFPVBQESA-N 0 0 193.250 1.376 10 0 ADAERN CCCCC(=O)Nc1n[nH]cc1N 87419102 573915369 /nfs/dbraw/zinc/91/53/69/573915369.db2.gz HNRMZOCUEFJNOI-UHFFFAOYSA-N 0 0 182.227 1.121 10 0 ADAERN C[N@@H+]1CC[C@@H](F)[C@](C)(C(=O)[O-])CC1 257898153 573915412 /nfs/dbraw/zinc/91/54/12/573915412.db2.gz YGWKRLGSSXJITO-VXNVDRBHSA-N 0 0 189.230 1.141 10 0 ADAERN c1cnc(-c2nc3cc[nH]cc-3n2)cn1 44548257 573915433 /nfs/dbraw/zinc/91/54/33/573915433.db2.gz XNXTWJAKSPFQRT-UHFFFAOYSA-N 0 0 197.201 1.415 10 0 ADAERN O=Cc1nn(C2CC2)c2c1COC2 257898017 573915438 /nfs/dbraw/zinc/91/54/38/573915438.db2.gz OJUGLHZHMJUWGA-UHFFFAOYSA-N 0 0 178.191 1.061 10 0 ADAERN C[C@@]1(c2nc(N)no2)CCCSC1 258180307 573915440 /nfs/dbraw/zinc/91/54/40/573915440.db2.gz UXXLMXSJAGUKOX-MRVPVSSYSA-N 0 0 199.279 1.437 10 0 ADAERN OC1(C[C@H]2CCCCO2)CC1 87420083 573915490 /nfs/dbraw/zinc/91/54/90/573915490.db2.gz NLKVARRNMDECSW-MRVPVSSYSA-N 0 0 156.225 1.471 10 0 ADAERN C[C@@](F)(C[C@@H]1CCC[NH2+]C1)C(=O)[O-] 257898175 573915505 /nfs/dbraw/zinc/91/55/05/573915505.db2.gz YHMCZZAOZNEARG-IONNQARKSA-N 0 0 189.230 1.189 10 0 ADAERN Nc1ccc2c(c1)CCCN2CCF 84828443 573915544 /nfs/dbraw/zinc/91/55/44/573915544.db2.gz JXVDCUBXJZAYLP-UHFFFAOYSA-N 0 0 194.253 1.991 10 0 ADAERN [NH3+][C@@H](CC(=O)[O-])Sc1ccccc1 259237769 573915556 /nfs/dbraw/zinc/91/55/56/573915556.db2.gz NRZPWQQYPJOBTB-MRVPVSSYSA-N 0 0 197.259 1.538 10 0 ADAERN C[C@@](N)(c1ccccn1)C(F)(F)F 84739328 573915557 /nfs/dbraw/zinc/91/55/57/573915557.db2.gz STLZOOTYZTZENO-SSDOTTSWSA-N 0 0 190.168 1.818 10 0 ADAERN Nc1nsc(C[C@@H]2CCCCO2)n1 87420141 573915566 /nfs/dbraw/zinc/91/55/66/573915566.db2.gz CLLLQDVWWBTTJU-LURJTMIESA-N 0 0 199.279 1.232 10 0 ADAERN CC[C@](C)(CO)Nc1ccccn1 80882265 573915575 /nfs/dbraw/zinc/91/55/75/573915575.db2.gz JJPNDXWPUOIRQL-SNVBAGLBSA-N 0 0 180.251 1.655 10 0 ADAERN Cc1cc(N)nc(-c2conc2C)n1 74274737 573915579 /nfs/dbraw/zinc/91/55/79/573915579.db2.gz CFVCHOGKBIWPJO-UHFFFAOYSA-N 0 0 190.206 1.331 10 0 ADAERN C[C@@H](c1ccc(C(=O)[O-])n1C)[NH+](C)C 257898119 573915580 /nfs/dbraw/zinc/91/55/80/573915580.db2.gz YFKMCKBZINVJPL-ZETCQYMHSA-N 0 0 196.250 1.346 10 0 ADAERN C[C@H](O)c1nc2c(N)cccc2o1 87439718 573915597 /nfs/dbraw/zinc/91/55/97/573915597.db2.gz XPCGURDZHHCUEJ-YFKPBYRVSA-N 0 0 178.191 1.463 10 0 ADAERN CC[C@@H](C)[N@@H+]1CCC[C@@H]1CC(=O)[O-] 42163201 573915610 /nfs/dbraw/zinc/91/56/10/573915610.db2.gz WJOXAUVMTSYKHW-RKDXNWHRSA-N 0 0 185.267 1.724 10 0 ADAERN C[N@@H+]1CCC[C@H]1CC(F)(F)C(=O)[O-] 257898205 573915614 /nfs/dbraw/zinc/91/56/14/573915614.db2.gz YIWRAEFXUMCSBX-LURJTMIESA-N 0 0 193.193 1.191 10 0 ADAERN OCC1OCc2ccccc2CO1 258180960 573915625 /nfs/dbraw/zinc/91/56/25/573915625.db2.gz MQBMWXYJSCEVLE-UHFFFAOYSA-N 0 0 180.203 1.052 10 0 ADAERN CC(C)[C@@H](C)OC1CC(O)C1 87471129 573926482 /nfs/dbraw/zinc/92/64/82/573926482.db2.gz ISNDRPAFXIBSSG-AFPNSQJFSA-N 0 0 158.241 1.571 10 0 ADAERN C[NH2+][C@@H]1CCc2c(C(=O)[O-])cccc21 257901512 573926486 /nfs/dbraw/zinc/92/64/86/573926486.db2.gz YVCUXMVYQLBTQD-SNVBAGLBSA-N 0 0 191.230 1.592 10 0 ADAERN CCC[C@H](C(=O)[O-])[N@H+](C)C1CCC1 127595662 573926509 /nfs/dbraw/zinc/92/65/09/573926509.db2.gz SVRUENGOGXPDAD-SECBINFHSA-N 0 0 185.267 1.724 10 0 ADAERN CC(C)C(=O)C1=NC(C)(C)C1 238187826 573926512 /nfs/dbraw/zinc/92/65/12/573926512.db2.gz JHVMOJDBJUCOAN-UHFFFAOYSA-N 0 0 153.225 1.835 10 0 ADAERN Cc1cc(C(=O)[C@H]2CCOC2)ccn1 235814598 573927159 /nfs/dbraw/zinc/92/71/59/573927159.db2.gz PZNMDIGNWUNJRS-JTQLQIEISA-N 0 0 191.230 1.609 10 0 ADAERN CCc1oc(=O)[nH]c1C(F)(F)F 257901431 573927166 /nfs/dbraw/zinc/92/71/66/573927166.db2.gz OYHWDKGVNDXAMM-UHFFFAOYSA-N 0 0 181.113 1.961 10 0 ADAERN CCC1(CC)C[C@@H](CO)OC1=O 103282630 573927174 /nfs/dbraw/zinc/92/71/74/573927174.db2.gz SAVHGFQRYHQZMU-ZETCQYMHSA-N 0 0 172.224 1.101 10 0 ADAERN O=C1CCNN1C1CCCCCC1 257901457 573927181 /nfs/dbraw/zinc/92/71/81/573927181.db2.gz OYXOSTKLVKOIDI-UHFFFAOYSA-N 0 0 182.267 1.446 10 0 ADAERN C[C@H]1CCc2cnc(N)nc21 84901898 573927185 /nfs/dbraw/zinc/92/71/85/573927185.db2.gz SYEQULZTCCUKFH-YFKPBYRVSA-N 0 0 149.197 1.109 10 0 ADAERN COC(C)(C)[C@@H](CC1CC1)NN 127575926 573927190 /nfs/dbraw/zinc/92/71/90/573927190.db2.gz ZHDNWCMGWXIFPR-MRVPVSSYSA-N 0 0 172.272 1.043 10 0 ADAERN CN[C@H](COC(C)C)c1coc(C)n1 308465081 573926567 /nfs/dbraw/zinc/92/65/67/573926567.db2.gz HMDFVXFVGNDWGG-SECBINFHSA-N 0 0 198.266 1.669 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0 194.234 1.287 10 0 ADAERN CC(C)[C@@H](C)[N@H+](C)C1(C(=O)[O-])CCC1 308464778 573926689 /nfs/dbraw/zinc/92/66/89/573926689.db2.gz FWVGRGSXNAZSAJ-SECBINFHSA-N 0 0 199.294 1.970 10 0 ADAERN CC(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]12 238188455 573926742 /nfs/dbraw/zinc/92/67/42/573926742.db2.gz DVIPCEJNXQTQLH-YIZRAAEISA-N 0 0 183.251 1.920 10 0 ADAERN C=CC1=C[C@@H](O)C(C)(C)C1 238187930 573926746 /nfs/dbraw/zinc/92/67/46/573926746.db2.gz MNULQNOXYHTKKI-MRVPVSSYSA-N 0 0 138.210 1.890 10 0 ADAERN CC(C)(O)[C@@H]1COc2ccccc2N1 238187426 573926750 /nfs/dbraw/zinc/92/67/50/573926750.db2.gz DSYMHNNEKCZAGE-JTQLQIEISA-N 0 0 193.246 1.630 10 0 ADAERN COCc1cn(C)c2cccc(N)c12 258461176 573926752 /nfs/dbraw/zinc/92/67/52/573926752.db2.gz DMMCMIQEYDNSIM-UHFFFAOYSA-N 0 0 190.246 1.907 10 0 ADAERN CC(C)[C@H](C)OCCCO 87469854 573926773 /nfs/dbraw/zinc/92/67/73/573926773.db2.gz YNLNPGHSHMQQCW-QMMMGPOBSA-N 0 0 146.230 1.430 10 0 ADAERN OCC[C@H]1Cc2ccc(F)cc2C1 257901415 573926774 /nfs/dbraw/zinc/92/67/74/573926774.db2.gz OXUKGVOZMVHPDL-QMMMGPOBSA-N 0 0 180.222 1.923 10 0 ADAERN C[C@@H]1Nc2cccc(O)c2N(C)C1=O 259241230 573926779 /nfs/dbraw/zinc/92/67/79/573926779.db2.gz NCEAFTYKVBFVJL-LURJTMIESA-N 0 0 192.218 1.169 10 0 ADAERN C[C@]1(C2CCC2)CCOC(=O)N1 258458888 573926790 /nfs/dbraw/zinc/92/67/90/573926790.db2.gz GTWZJSBVBTZMLW-SECBINFHSA-N 0 0 169.224 1.675 10 0 ADAERN O=C1C[C@@H](CC2CCCCC2)N1 87474423 573926800 /nfs/dbraw/zinc/92/68/00/573926800.db2.gz VIFOTDAJMWKLCL-SECBINFHSA-N 0 0 167.252 1.845 10 0 ADAERN CC(C)S[C@H]1NC=CN1C 238187178 573926808 /nfs/dbraw/zinc/92/68/08/573926808.db2.gz UMCYDMXEASUUAN-ZETCQYMHSA-N 0 0 158.270 1.418 10 0 ADAERN NC1=NC(=O)N[C@H]1CC1CCCCC1 87475196 573926832 /nfs/dbraw/zinc/92/68/32/573926832.db2.gz APSVDKLJILCCPC-QMMMGPOBSA-N 0 0 195.266 1.615 10 0 ADAERN CC[C@H](NC(C)=O)c1cccnc1 223564894 573926855 /nfs/dbraw/zinc/92/68/55/573926855.db2.gz VLMRVPGKOPABPT-JTQLQIEISA-N 0 0 178.235 1.669 10 0 ADAERN CCC(=O)NCc1cnoc1C1CC1 585362703 573926862 /nfs/dbraw/zinc/92/68/62/573926862.db2.gz GXXZBYSQTPJXST-UHFFFAOYSA-N 0 0 194.234 1.578 10 0 ADAERN CCc1c(N)n[nH]c1[C@@H]1C[C@H]1OC 690012864 573926863 /nfs/dbraw/zinc/92/68/63/573926863.db2.gz KYNFGKRVESYRFN-RNFRBKRXSA-N 0 0 181.239 1.057 10 0 ADAERN COCCOCCn1cccc1 44727602 573926868 /nfs/dbraw/zinc/92/68/68/573926868.db2.gz DGGJUMVJPDKRKL-UHFFFAOYSA-N 0 0 169.224 1.151 10 0 ADAERN CC[C@@H](OC)C(=O)Cc1cccnc1 131684935 573926877 /nfs/dbraw/zinc/92/68/77/573926877.db2.gz BFWPJBSMQMSFPF-LLVKDONJSA-N 0 0 193.246 1.618 10 0 ADAERN CCc1c(N)n[nH]c1[C@H]1C[C@H]1OC 690012862 573926935 /nfs/dbraw/zinc/92/69/35/573926935.db2.gz KYNFGKRVESYRFN-NKWVEPMBSA-N 0 0 181.239 1.057 10 0 ADAERN S=C1N=NC([C@H]2C[C@H]3CC[C@@H]2C3)N1 42175662 573926940 /nfs/dbraw/zinc/92/69/40/573926940.db2.gz NKMZLZARZNMMIG-XVMARJQXSA-N 0 0 195.291 1.997 10 0 ADAERN CC(C)[C@H](C)Oc1ccc(N)c(N)n1 87467528 573926980 /nfs/dbraw/zinc/92/69/80/573926980.db2.gz KZUPNTBLTOPLFB-ZETCQYMHSA-N 0 0 195.266 1.669 10 0 ADAERN C[C@@H]([NH3+])c1nc(C2CCC2)c[nH]1 259009965 573926985 /nfs/dbraw/zinc/92/69/85/573926985.db2.gz CYBNGGODXCINRO-ZCFIWIBFSA-N 0 0 165.240 1.697 10 0 ADAERN FC(F)(F)CNCCc1ccc[nH]1 259012702 573926996 /nfs/dbraw/zinc/92/69/96/573926996.db2.gz GKLJRVGQBNNYCE-UHFFFAOYSA-N 0 0 192.184 1.709 10 0 ADAERN CC(C)(O)C1(c2ccncc2)COC1 258521640 573927005 /nfs/dbraw/zinc/92/70/05/573927005.db2.gz HGWROPKMBNATRE-UHFFFAOYSA-N 0 0 193.246 1.121 10 0 ADAERN CC[C@H](C)OC(=O)[C@@]1(C)CCCCN1 127587239 573927006 /nfs/dbraw/zinc/92/70/06/573927006.db2.gz VBEQQUJVFZMGSF-GXSJLCMTSA-N 0 0 199.294 1.860 10 0 ADAERN C[C@]1(F)CCCc2onc(N)c21 258522707 573927012 /nfs/dbraw/zinc/92/70/12/573927012.db2.gz MKDPHEMOLQLNEW-QMMMGPOBSA-N 0 0 170.187 1.778 10 0 ADAERN CCOC(=O)/C=C\C=C1CCOCC1 308464525 573927026 /nfs/dbraw/zinc/92/70/26/573927026.db2.gz YXRJGTXJQIRFOB-HYXAFXHYSA-N 0 0 196.246 1.843 10 0 ADAERN Cc1cccc(NC[C@@H](C)O)c1F 84929665 573927050 /nfs/dbraw/zinc/92/70/50/573927050.db2.gz UIHSXMPUAQTFON-MRVPVSSYSA-N 0 0 183.226 1.927 10 0 ADAERN COC(=O)[C@@]1(N)C[C@@H]1C1CCCCC1 215477915 573927060 /nfs/dbraw/zinc/92/70/60/573927060.db2.gz QBBXWMIHGYLUNE-MWLCHTKSSA-N 0 0 197.278 1.457 10 0 ADAERN COc1ccc(F)c(NC[C@@H](C)O)c1 84929692 573927082 /nfs/dbraw/zinc/92/70/82/573927082.db2.gz HUVIZNKFAFKFQK-SSDOTTSWSA-N 0 0 199.225 1.627 10 0 ADAERN COc1ccc(F)c(NC[C@H](C)O)c1 84929690 573927095 /nfs/dbraw/zinc/92/70/95/573927095.db2.gz HUVIZNKFAFKFQK-ZETCQYMHSA-N 0 0 199.225 1.627 10 0 ADAERN Cc1cn(-c2cccc(C=O)c2)cn1 716852396 573927101 /nfs/dbraw/zinc/92/71/01/573927101.db2.gz ADGKPVPTGGYOGX-UHFFFAOYSA-N 0 0 186.214 1.993 10 0 ADAERN CC[C@H](C)[C@H](C)C(=O)C(=O)OC 716413540 573927108 /nfs/dbraw/zinc/92/71/08/573927108.db2.gz KRNFRPHRSWYTKI-BQBZGAKWSA-N 0 0 172.224 1.411 10 0 ADAERN CCCCN(C)c1ccnc(C[NH3+])n1 259008553 573927117 /nfs/dbraw/zinc/92/71/17/573927117.db2.gz RBLDUFXITXHYOC-UHFFFAOYSA-N 0 0 194.282 1.172 10 0 ADAERN CNC(=O)OCCNc1ccccc1 715069297 573927131 /nfs/dbraw/zinc/92/71/31/573927131.db2.gz PKLKRAGZDAHHDA-UHFFFAOYSA-N 0 0 194.234 1.455 10 0 ADAERN CC(C)COC(=O)[C@]1(C)CCCCN1 127590823 573927144 /nfs/dbraw/zinc/92/71/44/573927144.db2.gz JPPAYHOUJQIPHY-NSHDSACASA-N 0 0 199.294 1.718 10 0 ADAERN COC(=O)[C@@]1(N)C[C@H]1C1CCCC1 215477802 573927147 /nfs/dbraw/zinc/92/71/47/573927147.db2.gz XEOOMWPPAFRGFB-WCBMZHEXSA-N 0 0 183.251 1.067 10 0 ADAERN CCC[C@@H]([NH2+]C)[C@@H](CC)C(=O)[O-] 259240310 573927149 /nfs/dbraw/zinc/92/71/49/573927149.db2.gz NCRXWGLXIQJPIF-HTQZYQBOSA-N 0 0 173.256 1.485 10 0 ADAERN CCCCCCN1C(=O)CN[C@H]1C 127618529 573934583 /nfs/dbraw/zinc/93/45/83/573934583.db2.gz BKDKWZHXZJXUCP-SECBINFHSA-N 0 0 184.283 1.345 10 0 ADAERN COC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716446743 573934594 /nfs/dbraw/zinc/93/45/94/573934594.db2.gz DSGQZUSMJMDRKF-LXGUWJNJSA-N 0 0 154.209 1.452 10 0 ADAERN CCOC(=O)c1cc2[nH]ccc2n1C 259586022 573934628 /nfs/dbraw/zinc/93/46/28/573934628.db2.gz KUFQJBPWGWHSBI-UHFFFAOYSA-N 0 0 192.218 1.683 10 0 ADAERN CC(C)Cc1nn(C)c2[nH]nc(N)c12 87527099 573934631 /nfs/dbraw/zinc/93/46/31/573934631.db2.gz DQVFOYRILJMEAE-UHFFFAOYSA-N 0 0 193.254 1.077 10 0 ADAERN CC(C)(O)c1cc2cnoc2cc1N 238196479 573934636 /nfs/dbraw/zinc/93/46/36/573934636.db2.gz XHQPFBNNCGBGLC-UHFFFAOYSA-N 0 0 192.218 1.637 10 0 ADAERN Cc1nn(C)cc1-c1ccoc1C=O 235819397 573934638 /nfs/dbraw/zinc/93/46/38/573934638.db2.gz GRYABZATNOWGPZ-UHFFFAOYSA-N 0 0 190.202 1.801 10 0 ADAERN Nc1ccc(C2=NCCCO2)cc1 197747458 573933862 /nfs/dbraw/zinc/93/38/62/573933862.db2.gz GCAAQXMOAWBLPW-UHFFFAOYSA-N 0 0 176.219 1.436 10 0 ADAERN COC[C@@]1(C(C)C)C[C@@H](O)CCO1 87499271 573933878 /nfs/dbraw/zinc/93/38/78/573933878.db2.gz KMMOVCNMBGTZJG-VHSXEESVSA-N 0 0 188.267 1.199 10 0 ADAERN CCCC1(C)C(=O)CCC1=O 238196476 573933892 /nfs/dbraw/zinc/93/38/92/573933892.db2.gz IJLLTAGZRGPFBZ-UHFFFAOYSA-N 0 0 154.209 1.725 10 0 ADAERN C[C@@H](CCC(=O)[O-])C[NH+](C)C 131741223 573933902 /nfs/dbraw/zinc/93/39/02/573933902.db2.gz RTSOWHLYKZMOOE-ZETCQYMHSA-N 0 0 159.229 1.049 10 0 ADAERN CCOC[C@@](O)(COC)C(C)C 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CO[C@](C)(CO)c1ccccc1C 257905041 573934272 /nfs/dbraw/zinc/93/42/72/573934272.db2.gz PNOXQOOOZBFUGX-LLVKDONJSA-N 0 0 180.247 1.849 10 0 ADAERN CC(C)N1CCCC(=O)C1(C)C 259585166 573934336 /nfs/dbraw/zinc/93/43/36/573934336.db2.gz ZPVRNKIROOTUTL-UHFFFAOYSA-N 0 0 169.268 1.838 10 0 ADAERN CN(O)CC[C@H]1CCCSC1 257905134 573934363 /nfs/dbraw/zinc/93/43/63/573934363.db2.gz POQBLMXBCABQHA-MRVPVSSYSA-N 0 0 175.297 1.841 10 0 ADAERN COc1nc(-c2ccc(C)o2)c[nH]1 259017054 573934385 /nfs/dbraw/zinc/93/43/85/573934385.db2.gz DVKPCWCVDUORBP-UHFFFAOYSA-N 0 0 178.191 1.987 10 0 ADAERN Nc1nnc([C@H]2CCCO2)cc1Cl 259585786 573934397 /nfs/dbraw/zinc/93/43/97/573934397.db2.gz YRZOKGFEKPULRK-SSDOTTSWSA-N 0 0 199.641 1.564 10 0 ADAERN Cc1ccnc([C@H](CO)C(C)C)n1 259017613 573934414 /nfs/dbraw/zinc/93/44/14/573934414.db2.gz FVSRZKJXYXYWJC-SECBINFHSA-N 0 0 180.251 1.517 10 0 ADAERN CCCc1nnc2cccc(C)n12 257909431 573934417 /nfs/dbraw/zinc/93/44/17/573934417.db2.gz GSPRCHUCKZGRGX-UHFFFAOYSA-N 0 0 175.235 1.990 10 0 ADAERN Cc1ccc2cnc(CO)n2c1 258460340 573934443 /nfs/dbraw/zinc/93/44/43/573934443.db2.gz GZOGBLVQYNRYIN-UHFFFAOYSA-N 0 0 162.192 1.135 10 0 ADAERN C[C@]1(/C=C\CO)CCCS1 327618921 573934455 /nfs/dbraw/zinc/93/44/55/573934455.db2.gz MHAPANFOCUPGDJ-LTMVXPGCSA-N 0 0 158.266 1.821 10 0 ADAERN CC(C)Cn1[nH]c(=O)c2c1CSC2 257904524 573934456 /nfs/dbraw/zinc/93/44/56/573934456.db2.gz WEUDSENEEGHVLB-UHFFFAOYSA-N 0 0 198.291 1.992 10 0 ADAERN Nc1nnc([C@@H]2CCCO2)cc1Cl 259585788 573934457 /nfs/dbraw/zinc/93/44/57/573934457.db2.gz YRZOKGFEKPULRK-ZETCQYMHSA-N 0 0 199.641 1.564 10 0 ADAERN CCCOC[C@@H](NC)c1coc(C)n1 308465377 573934459 /nfs/dbraw/zinc/93/44/59/573934459.db2.gz HSEXYCCMCNYBCL-SECBINFHSA-N 0 0 198.266 1.670 10 0 ADAERN Cc1[nH]c(=S)[nH]c1C 103603332 573934501 /nfs/dbraw/zinc/93/45/01/573934501.db2.gz DXAKJCMZDGHRAH-GSVOUGTGSA-N 0 0 128.200 1.135 10 0 ADAERN CCOc1ccc(C(=O)NC)cc1F 259242437 573934510 /nfs/dbraw/zinc/93/45/10/573934510.db2.gz PFOGTVGIUPUKTG-UHFFFAOYSA-N 0 0 197.209 1.584 10 0 ADAERN CO[C@H](C)[C@@H](CO)Cc1ccccc1 238394501 573934521 /nfs/dbraw/zinc/93/45/21/573934521.db2.gz ZMBXQLYWZBNJDL-ZYHUDNBSSA-N 0 0 194.274 1.873 10 0 ADAERN Cc1oncc1CNC(=O)CC(C)C 585363672 573934537 /nfs/dbraw/zinc/93/45/37/573934537.db2.gz BKQOLTDWQRHUDU-UHFFFAOYSA-N 0 0 196.250 1.645 10 0 ADAERN C[NH2+][C@@H](CC(C)C)C1(C(=O)[O-])CC1 259585860 573934558 /nfs/dbraw/zinc/93/45/58/573934558.db2.gz XKYRRZXBWWCXRW-QMMMGPOBSA-N 0 0 185.267 1.485 10 0 ADAERN CCNC(=O)N[C@H](CC)CCOC 308467549 573937996 /nfs/dbraw/zinc/93/79/96/573937996.db2.gz JMQOYOCWYDONOW-MRVPVSSYSA-N 0 0 188.271 1.121 10 0 ADAERN CC1(C)CCC=C(CO)[C@@H]1CO 238197750 573937999 /nfs/dbraw/zinc/93/79/99/573937999.db2.gz SSSMXBLEGQWBHM-VIFPVBQESA-N 0 0 170.252 1.334 10 0 ADAERN Cc1cccc(-c2c[nH]c(NN)n2)c1 259020330 573938000 /nfs/dbraw/zinc/93/80/00/573938000.db2.gz FEQDYXDGHKTNRR-UHFFFAOYSA-N 0 0 188.234 1.671 10 0 ADAERN CC(=O)[C@@H](C)COC(C)C 238197497 573938027 /nfs/dbraw/zinc/93/80/27/573938027.db2.gz 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ADAERN CC1([C@H](O)c2cccnc2N)CC1 87549961 573946184 /nfs/dbraw/zinc/94/61/84/573946184.db2.gz UHPAKPHLTZXFKP-MRVPVSSYSA-N 0 0 178.235 1.497 10 0 ADAERN C[C@@H](O)c1cccc2c1CC(=O)N2C 258186774 573946211 /nfs/dbraw/zinc/94/62/11/573946211.db2.gz WYKWDXZCIRLWIT-SSDOTTSWSA-N 0 0 191.230 1.259 10 0 ADAERN Cc1[nH]c(-c2ccccn2)nc1O 235836961 573946219 /nfs/dbraw/zinc/94/62/19/573946219.db2.gz JXENAKROGWRIFA-UHFFFAOYSA-N 0 0 175.191 1.486 10 0 ADAERN CC1([C@@H](O)[C@@H]2CCOC2)CC1 87549815 573946220 /nfs/dbraw/zinc/94/62/20/573946220.db2.gz GIPKBWAQVVRZNR-SFYZADRCSA-N 0 0 156.225 1.184 10 0 ADAERN C[C@H]1CCC[C@@H](N2CCNC2=O)CC1 235669737 573946221 /nfs/dbraw/zinc/94/62/21/573946221.db2.gz HYIBLESJXIXLJI-VHSXEESVSA-N 0 0 196.294 1.980 10 0 ADAERN CCC[C@@H](C)Cn1nncc1[C@@H](C)O 308469669 573946236 /nfs/dbraw/zinc/94/62/36/573946236.db2.gz IDLBBWFJVWXDPD-RKDXNWHRSA-N 0 0 197.282 1.768 10 0 ADAERN Cc1cc(CNO)c2c(c1)OCO2 257907317 573946255 /nfs/dbraw/zinc/94/62/55/573946255.db2.gz AEMIMGIAJBFCBP-UHFFFAOYSA-N 0 0 181.191 1.203 10 0 ADAERN CC1([C@@H](O)[C@H]2CCOC2)CC1 87549818 573946264 /nfs/dbraw/zinc/94/62/64/573946264.db2.gz GIPKBWAQVVRZNR-YUMQZZPRSA-N 0 0 156.225 1.184 10 0 ADAERN CCC[C@H](C)Cn1nncc1[C@@H](C)O 308469665 573946266 /nfs/dbraw/zinc/94/62/66/573946266.db2.gz IDLBBWFJVWXDPD-DTWKUNHWSA-N 0 0 197.282 1.768 10 0 ADAERN Cn1cc(C[C@@H](O)C2(C)CC2)cn1 87549443 573946275 /nfs/dbraw/zinc/94/62/75/573946275.db2.gz ZVMDWJODJAMFGR-SECBINFHSA-N 0 0 180.251 1.124 10 0 ADAERN Cc1nc([C@H]2C[C@H]2C)nc(NN)c1F 85006042 573946316 /nfs/dbraw/zinc/94/63/16/573946316.db2.gz HAVVGNOPIWXKLM-XINAWCOVSA-N 0 0 196.229 1.333 10 0 ADAERN CC[C@@H](O)C1(C)CC1 87549578 573946353 /nfs/dbraw/zinc/94/63/53/573946353.db2.gz DUWRXTYWFSSBML-ZCFIWIBFSA-N 0 0 114.188 1.557 10 0 ADAERN CCn1ccnc1[C@@H](O)C1(C)CC1 87549823 573946391 /nfs/dbraw/zinc/94/63/91/573946391.db2.gz YQZJCZMVIXEANU-MRVPVSSYSA-N 0 0 180.251 1.737 10 0 ADAERN CCOCc1nc(C)c(F)c(N)n1 85005507 573946401 /nfs/dbraw/zinc/94/64/01/573946401.db2.gz AFXDDVWTOMITNU-UHFFFAOYSA-N 0 0 185.202 1.043 10 0 ADAERN Cc1nccnc1[C@H]1C[C@@H](O)C1(C)C 235827817 573946405 /nfs/dbraw/zinc/94/64/05/573946405.db2.gz JJXWJKIEZUQNNB-RKDXNWHRSA-N 0 0 192.262 1.659 10 0 ADAERN Cc1nccc(-c2ccc[nH]2)n1 259025127 573946429 /nfs/dbraw/zinc/94/64/29/573946429.db2.gz GNFJRFAVZMKCJW-UHFFFAOYSA-N 0 0 159.192 1.780 10 0 ADAERN CC(C)c1oncc1C[NH2+]CCCO 585365066 573946434 /nfs/dbraw/zinc/94/64/34/573946434.db2.gz ZYJHDKOLEPSIKW-UHFFFAOYSA-N 0 0 198.266 1.270 10 0 ADAERN Cc1nc(C(C)C)nc(N)c1F 85005426 573946437 /nfs/dbraw/zinc/94/64/37/573946437.db2.gz NYULLHZDHCCFGJ-UHFFFAOYSA-N 0 0 169.203 1.630 10 0 ADAERN CCN(CC)c1nc(C)c(F)c(N)n1 85005437 573946447 /nfs/dbraw/zinc/94/64/47/573946447.db2.gz FMTAJSWGLNVOQM-UHFFFAOYSA-N 0 0 198.245 1.353 10 0 ADAERN CCn1cc([C@@H](O)C2(C)CC2)cn1 87549807 573946457 /nfs/dbraw/zinc/94/64/57/573946457.db2.gz MBLPLBUCKFXZSW-SECBINFHSA-N 0 0 180.251 1.737 10 0 ADAERN Cc1cc(CC(=O)C2(C)CC2)n(C)n1 87549293 573946464 /nfs/dbraw/zinc/94/64/64/573946464.db2.gz LUIORHFNSYAVAY-UHFFFAOYSA-N 0 0 192.262 1.640 10 0 ADAERN CCC[C@@H](O)C1(C)CC1 87550026 573946471 /nfs/dbraw/zinc/94/64/71/573946471.db2.gz QEHQUUDCEBEBHE-SSDOTTSWSA-N 0 0 128.215 1.948 10 0 ADAERN CCC[C@H](C)n1nnc2c1CCNC2 85004573 573946475 /nfs/dbraw/zinc/94/64/75/573946475.db2.gz PXBDYFZKLFYINL-QMMMGPOBSA-N 0 0 194.282 1.285 10 0 ADAERN CC1([C@@H](O)c2cccnc2)CC1 87550019 573946491 /nfs/dbraw/zinc/94/64/91/573946491.db2.gz NBHHDULVCMWONB-VIFPVBQESA-N 0 0 163.220 1.915 10 0 ADAERN Cc1cnc(N)c([C@@H](O)C2(C)CC2)c1 87550137 573946508 /nfs/dbraw/zinc/94/65/08/573946508.db2.gz KQOGYWHLKLQIDO-SECBINFHSA-N 0 0 192.262 1.806 10 0 ADAERN CC1(C)CC2(C[C@@H]2CO)C1 238204836 573946513 /nfs/dbraw/zinc/94/65/13/573946513.db2.gz JKGVRLMZAQSCHC-SSDOTTSWSA-N 0 0 140.226 1.805 10 0 ADAERN OCc1cc(-c2ccccc2O)n[nH]1 259247056 573946531 /nfs/dbraw/zinc/94/65/31/573946531.db2.gz NMSTVSVZHOIOMG-UHFFFAOYSA-N 0 0 190.202 1.275 10 0 ADAERN Cn1ccnc1C[C@H](O)C1(C)CC1 87550000 573946532 /nfs/dbraw/zinc/94/65/32/573946532.db2.gz TWXYABALEBXMMM-QMMMGPOBSA-N 0 0 180.251 1.124 10 0 ADAERN C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)CO1 402382978 573946538 /nfs/dbraw/zinc/94/65/38/573946538.db2.gz OAYJRTODZSQRSK-RKDXNWHRSA-N 0 0 199.294 1.716 10 0 ADAERN COC(=O)N1Cc2ccc(N)cc2C1 85004999 573946539 /nfs/dbraw/zinc/94/65/39/573946539.db2.gz IHPKFXWGZCZGRO-UHFFFAOYSA-N 0 0 192.218 1.351 10 0 ADAERN CC(C)[C@@]1(CO)CCC(=O)C1 238205196 573946555 /nfs/dbraw/zinc/94/65/55/573946555.db2.gz LDSPDGDVONVICA-VIFPVBQESA-N 0 0 156.225 1.374 10 0 ADAERN CCc1nccn1CCCC(N)=S 42419844 573946584 /nfs/dbraw/zinc/94/65/84/573946584.db2.gz WYWAUHDHFLFUPY-UHFFFAOYSA-N 0 0 197.307 1.512 10 0 ADAERN CC(=O)[C@@H]1Cc2cc(F)ccc2N1C 258187183 573946587 /nfs/dbraw/zinc/94/65/87/573946587.db2.gz SZPSUIXVOTYJQE-NSHDSACASA-N 0 0 193.221 1.776 10 0 ADAERN CC1(C)[C@@H](CCO)CC[C@]1(C)O 238206042 573946589 /nfs/dbraw/zinc/94/65/89/573946589.db2.gz BEEINWWCXAGCQS-SCZZXKLOSA-N 0 0 172.268 1.556 10 0 ADAERN CC1([C@@H](O)Cc2cccnc2N)CC1 87550142 573946592 /nfs/dbraw/zinc/94/65/92/573946592.db2.gz FSCZSVLPWHXLEP-VIFPVBQESA-N 0 0 192.262 1.367 10 0 ADAERN CC(C)[C@@]1(O)CC(C)(C)CC1=O 238206051 573946597 /nfs/dbraw/zinc/94/65/97/573946597.db2.gz FYANDXPLXMOFDX-JTQLQIEISA-N 0 0 170.252 1.763 10 0 ADAERN Cc1[nH]c(-c2cncs2)nc1O 235837646 573946608 /nfs/dbraw/zinc/94/66/08/573946608.db2.gz DGEISTXHELQBLN-UHFFFAOYSA-N 0 0 181.220 1.547 10 0 ADAERN CCc1nccn1[C@@H](C)CC(N)=S 42419858 573946613 /nfs/dbraw/zinc/94/66/13/573946613.db2.gz OTDCMEJPQSQSJY-ZETCQYMHSA-N 0 0 197.307 1.683 10 0 ADAERN CC1(C)Oc2ccccc2[C@H]1CO 238204606 573946619 /nfs/dbraw/zinc/94/66/19/573946619.db2.gz RNUSQAHCSNYTAF-SECBINFHSA-N 0 0 178.231 1.934 10 0 ADAERN Cc1[nH]c(C2CC2)nc1O 235828839 573946648 /nfs/dbraw/zinc/94/66/48/573946648.db2.gz JNDWNCAYOCNILH-UHFFFAOYSA-N 0 0 138.170 1.301 10 0 ADAERN Cn1ccnc1C(=O)C1(C)CC1 87548910 573946649 /nfs/dbraw/zinc/94/66/49/573946649.db2.gz FPHRGCMHGLGGTG-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN CC(C)[C@](F)(Cl)C(N)=O 238205582 573946650 /nfs/dbraw/zinc/94/66/50/573946650.db2.gz SHRSGBMGQQOZHI-RXMQYKEDSA-N 0 0 153.584 1.032 10 0 ADAERN CCC(=O)C1(C)CC1 87549227 573946679 /nfs/dbraw/zinc/94/66/79/573946679.db2.gz LMXZLUALBMZJON-UHFFFAOYSA-N 0 0 112.172 1.766 10 0 ADAERN CC1(C)Oc2ncccc2C1=O 238204769 573946680 /nfs/dbraw/zinc/94/66/80/573946680.db2.gz DMAVQFYKHKTANA-UHFFFAOYSA-N 0 0 163.176 1.435 10 0 ADAERN CC[C@H](O)C1(C)CC1 87549576 573946685 /nfs/dbraw/zinc/94/66/85/573946685.db2.gz DUWRXTYWFSSBML-LURJTMIESA-N 0 0 114.188 1.557 10 0 ADAERN CCCNc1ncnc(C)c1F 85005722 573946701 /nfs/dbraw/zinc/94/67/01/573946701.db2.gz JXZFCARBFXGXMP-UHFFFAOYSA-N 0 0 169.203 1.746 10 0 ADAERN CC1([C@@H](O)c2cccnc2N)CC1 87549963 573946707 /nfs/dbraw/zinc/94/67/07/573946707.db2.gz UHPAKPHLTZXFKP-QMMMGPOBSA-N 0 0 178.235 1.497 10 0 ADAERN CC(=O)N(C)c1cccc(F)c1 81559171 573948257 /nfs/dbraw/zinc/94/82/57/573948257.db2.gz DJOZTMYNTXEQLK-UHFFFAOYSA-N 0 0 167.183 1.808 10 0 ADAERN CC(C)[C@@H](C)n1nnc2c1CCNC2 85004604 573947559 /nfs/dbraw/zinc/94/75/59/573947559.db2.gz LQZMKDAKZNUMMX-MRVPVSSYSA-N 0 0 194.282 1.141 10 0 ADAERN O=C1N[C@H](c2ccccc2)C[C@H]2C[C@@H]12 257914112 573947561 /nfs/dbraw/zinc/94/75/61/573947561.db2.gz QRNLDJSGMHIPHW-MXWKQRLJSA-N 0 0 187.242 1.884 10 0 ADAERN CC(C)O[P@@]1(=O)CC[C@H](CO)C1 238205303 573947573 /nfs/dbraw/zinc/94/75/73/573947573.db2.gz FZVRBUZNOJPNTF-PELKAZGASA-N 0 0 192.195 1.702 10 0 ADAERN C[C@@H](O)[C@@H](F)Cc1cccc(O)c1 257914026 573947584 /nfs/dbraw/zinc/94/75/84/573947584.db2.gz QRFQKYQPVPGRNQ-XCBNKYQSSA-N 0 0 184.210 1.654 10 0 ADAERN CCNc1ccnc(C2(C)CC2)n1 87553720 573947585 /nfs/dbraw/zinc/94/75/85/573947585.db2.gz XUJQXNVXEQZNAU-UHFFFAOYSA-N 0 0 177.251 1.960 10 0 ADAERN O[C@H](c1cncs1)[C@H]1CCOC1 87573207 573947599 /nfs/dbraw/zinc/94/75/99/573947599.db2.gz KNTIFGQCFGRYHD-XPUUQOCRSA-N 0 0 185.248 1.213 10 0 ADAERN O=C1C=NN(c2cccs2)C1 257915486 573947621 /nfs/dbraw/zinc/94/76/21/573947621.db2.gz JJKWDKKKGURXCA-UHFFFAOYSA-N 0 0 166.205 1.639 10 0 ADAERN CC1(C)[C@@H](CCO)CC[C@@]1(C)O 238205996 573947629 /nfs/dbraw/zinc/94/76/29/573947629.db2.gz BEEINWWCXAGCQS-PSASIEDQSA-N 0 0 172.268 1.556 10 0 ADAERN CCc1nc(C)c(F)c(NC)n1 85005522 573947658 /nfs/dbraw/zinc/94/76/58/573947658.db2.gz TZWGBMOFYCFTNW-UHFFFAOYSA-N 0 0 169.203 1.528 10 0 ADAERN CNOCCc1ccc(OC)cc1 257913927 573947665 /nfs/dbraw/zinc/94/76/65/573947665.db2.gz QQGBAWDCRSAQFC-UHFFFAOYSA-N 0 0 181.235 1.389 10 0 ADAERN CC(C)ONC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C 716485553 573947722 /nfs/dbraw/zinc/94/77/22/573947722.db2.gz NZKJSXPSDYTZNQ-SGIHWFKDSA-N 0 0 197.278 1.735 10 0 ADAERN CC1(C)[C@@H](CCO)CC[C@@]1(C)CO 238205977 573947724 /nfs/dbraw/zinc/94/77/24/573947724.db2.gz AEZWRPPAPHFLGL-KOLCDFICSA-N 0 0 186.295 1.804 10 0 ADAERN CC1(c2nccc(CO)n2)CC1 87554024 573947725 /nfs/dbraw/zinc/94/77/25/573947725.db2.gz UDBRQCLSPGNVDK-UHFFFAOYSA-N 0 0 164.208 1.020 10 0 ADAERN CC(CO)=C1C=CC=C1 238203959 573947739 /nfs/dbraw/zinc/94/77/39/573947739.db2.gz CVKLGQQVZLIARX-UHFFFAOYSA-N 0 0 122.167 1.421 10 0 ADAERN CC(C)[C@@H](C)/C=C/CO 238205855 573947759 /nfs/dbraw/zinc/94/77/59/573947759.db2.gz AVRQIXUJTFAXCD-ZJELKQJVSA-N 0 0 128.215 1.827 10 0 ADAERN Cc1nnn(-c2cccc(F)c2)c1N 257907726 573947792 /nfs/dbraw/zinc/94/77/92/573947792.db2.gz ZSLLXHCMKZEYRM-UHFFFAOYSA-N 0 0 192.197 1.297 10 0 ADAERN CCC[C@H](NN)C(OCC)OCC 127649622 573947807 /nfs/dbraw/zinc/94/78/07/573947807.db2.gz JKFVZGLYIGVYSZ-QMMMGPOBSA-N 0 0 190.287 1.018 10 0 ADAERN O[C@@H](c1cccnc1)c1cncs1 87573358 573947809 /nfs/dbraw/zinc/94/78/09/573947809.db2.gz RMWLIZSOUHDUKB-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN O=C(c1ccco1)c1cncs1 87572547 573947824 /nfs/dbraw/zinc/94/78/24/573947824.db2.gz DWTWSZIHANOXMT-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN CC(=O)c1ccc(C)c2c1OCO2 257915456 573947829 /nfs/dbraw/zinc/94/78/29/573947829.db2.gz BJWLDEZWBMUHBJ-UHFFFAOYSA-N 0 0 178.187 1.926 10 0 ADAERN Nc1cnc(-c2cncs2)nc1 87572282 573947831 /nfs/dbraw/zinc/94/78/31/573947831.db2.gz OTOFVPBGPNMULR-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN COc1c(F)cc(C=O)c(C)c1O 257913938 573947836 /nfs/dbraw/zinc/94/78/36/573947836.db2.gz QQICNSJGDYVDFT-UHFFFAOYSA-N 0 0 184.166 1.661 10 0 ADAERN O=c1ccnc(-c2cncs2)[nH]1 87572302 573947877 /nfs/dbraw/zinc/94/78/77/573947877.db2.gz DGQQHHVSLRHPNY-UHFFFAOYSA-N 0 0 179.204 1.306 10 0 ADAERN CC(C)ONC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C 716485563 573947929 /nfs/dbraw/zinc/94/79/29/573947929.db2.gz NZKJSXPSDYTZNQ-ZYUZMQFOSA-N 0 0 197.278 1.735 10 0 ADAERN Cc1nc([C@@H]2C[C@H]2C)nc(N)c1F 85005475 573947930 /nfs/dbraw/zinc/94/79/30/573947930.db2.gz JBNDYARHESESNP-INEUFUBQSA-N 0 0 181.214 1.630 10 0 ADAERN CCCc1ccc(C2(O)COC2)cc1 259248640 573947932 /nfs/dbraw/zinc/94/79/32/573947932.db2.gz NMJKMUBTGQSDSB-UHFFFAOYSA-N 0 0 192.258 1.857 10 0 ADAERN COc1c(CO)cnn1C1CCC1 258187727 573947939 /nfs/dbraw/zinc/94/79/39/573947939.db2.gz ZVVVEOJSVAABJP-UHFFFAOYSA-N 0 0 182.223 1.109 10 0 ADAERN Cn1nccc1C(=O)c1cncs1 87572611 573947940 /nfs/dbraw/zinc/94/79/40/573947940.db2.gz UVJFGYCSNWWEBO-UHFFFAOYSA-N 0 0 193.231 1.108 10 0 ADAERN Cc1cc(CNO)c2c(c1)OCCO2 258186861 573947992 /nfs/dbraw/zinc/94/79/92/573947992.db2.gz WZNWDPGHUANELH-UHFFFAOYSA-N 0 0 195.218 1.245 10 0 ADAERN CNc1nc(CCOC)nc(C)c1F 85005511 573947996 /nfs/dbraw/zinc/94/79/96/573947996.db2.gz QOLSECZTXOPOBW-UHFFFAOYSA-N 0 0 199.229 1.155 10 0 ADAERN CC(C)(C)OC(=O)Nc1cc(N)on1 257915462 573947997 /nfs/dbraw/zinc/94/79/97/573947997.db2.gz BJYCFTYMVDLCRC-UHFFFAOYSA-N 0 0 199.210 1.604 10 0 ADAERN CC(C)[N@H+]1CC=C(CCC(=O)[O-])CC1 258186929 573947999 /nfs/dbraw/zinc/94/79/99/573947999.db2.gz SXSUGKRXXJNOKX-UHFFFAOYSA-N 0 0 197.278 1.892 10 0 ADAERN CCCCOC(=O)CN[C@H]1CC1(C)C 45119557 573948007 /nfs/dbraw/zinc/94/80/07/573948007.db2.gz PFKMKMQTMODNIV-VIFPVBQESA-N 0 0 199.294 1.718 10 0 ADAERN Cc1nc([C@H]2C[C@@H]2C)nc(N)c1F 85005473 573948015 /nfs/dbraw/zinc/94/80/15/573948015.db2.gz JBNDYARHESESNP-NJGYIYPDSA-N 0 0 181.214 1.630 10 0 ADAERN COc1ccc2c(c1)[C@H](CON)CO2 258187000 573948017 /nfs/dbraw/zinc/94/80/17/573948017.db2.gz SYFRMRASBSNCSO-ZETCQYMHSA-N 0 0 195.218 1.062 10 0 ADAERN CC1(c2nc(CO)cs2)CC1 87563517 573948018 /nfs/dbraw/zinc/94/80/18/573948018.db2.gz SCEMCKVZWFLDEU-UHFFFAOYSA-N 0 0 169.249 1.687 10 0 ADAERN CC[C@@H](O)c1cncs1 87573012 573948029 /nfs/dbraw/zinc/94/80/29/573948029.db2.gz QNBFBKGQLOOWOL-RXMQYKEDSA-N 0 0 143.211 1.587 10 0 ADAERN CSCc1nc(C)c(F)c(N)n1 85005501 573948036 /nfs/dbraw/zinc/94/80/36/573948036.db2.gz SADCUBSIXUHMBP-UHFFFAOYSA-N 0 0 187.243 1.369 10 0 ADAERN COc1nc2[nH]c(C)cc2cc1N 257913963 573948038 /nfs/dbraw/zinc/94/80/38/573948038.db2.gz QQKVPNABLILDAQ-UHFFFAOYSA-N 0 0 177.207 1.462 10 0 ADAERN CC1(C)[C@@H](CCO)CC[C@]1(C)CO 238206028 573948048 /nfs/dbraw/zinc/94/80/48/573948048.db2.gz AEZWRPPAPHFLGL-MWLCHTKSSA-N 0 0 186.295 1.804 10 0 ADAERN C[C@@H](O)[C@H](F)Cc1cccc(O)c1 257914019 573948055 /nfs/dbraw/zinc/94/80/55/573948055.db2.gz QRFQKYQPVPGRNQ-GMSGAONNSA-N 0 0 184.210 1.654 10 0 ADAERN CC(=O)N(C)C[C@@H]1C[C@@H]1C 81559110 573948057 /nfs/dbraw/zinc/94/80/57/573948057.db2.gz XOTZDTKDCFYZMA-XPUUQOCRSA-N 0 0 141.214 1.121 10 0 ADAERN CC[C@@H](C)C(=O)c1ncccc1N 123172087 573948102 /nfs/dbraw/zinc/94/81/02/573948102.db2.gz PKMKWQUUWRNSLS-SSDOTTSWSA-N 0 0 178.235 1.893 10 0 ADAERN O=C(c1ccoc1)c1cncs1 87572646 573948112 /nfs/dbraw/zinc/94/81/12/573948112.db2.gz DKCKMJXHHCZFCL-UHFFFAOYSA-N 0 0 179.200 1.967 10 0 ADAERN Cc1nc([C@H]2C[C@H]2C)nc(N)c1F 85005477 573948148 /nfs/dbraw/zinc/94/81/48/573948148.db2.gz JBNDYARHESESNP-XINAWCOVSA-N 0 0 181.214 1.630 10 0 ADAERN CC1(c2noc(Cl)n2)CC1 87553417 573948154 /nfs/dbraw/zinc/94/81/54/573948154.db2.gz FZPFEHBAUTWWKM-UHFFFAOYSA-N 0 0 158.588 1.775 10 0 ADAERN CNc1ccnc(C2(C)CC2)n1 87553717 573948163 /nfs/dbraw/zinc/94/81/63/573948163.db2.gz PKTYMNZAWYOQMV-UHFFFAOYSA-N 0 0 163.224 1.570 10 0 ADAERN O[C@@H](c1cncs1)C1CCOCC1 87573381 573948179 /nfs/dbraw/zinc/94/81/79/573948179.db2.gz JXBVXPTWWVGEBP-SECBINFHSA-N 0 0 199.275 1.603 10 0 ADAERN Nc1cccc(-c2nnns2)c1 259248825 573948186 /nfs/dbraw/zinc/94/81/86/573948186.db2.gz DFRSWHDLHYLYSQ-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CNc1cc(C)nc(C2(C)CC2)n1 87553690 573948187 /nfs/dbraw/zinc/94/81/87/573948187.db2.gz QTYIENDQXGBYHQ-UHFFFAOYSA-N 0 0 177.251 1.878 10 0 ADAERN CC[C@H](CO)CNc1cccnc1 259026642 573948197 /nfs/dbraw/zinc/94/81/97/573948197.db2.gz QDHQZGMKDCJSNE-VIFPVBQESA-N 0 0 180.251 1.512 10 0 ADAERN CC1(C)Oc2ccccc2OC[C@@H]1O 238204358 573948206 /nfs/dbraw/zinc/94/82/06/573948206.db2.gz JTJHOAXITJSDQQ-JTQLQIEISA-N 0 0 194.230 1.597 10 0 ADAERN CC1=C(C)/C(=C/c2ccc[nH]2)NC1=O 110500016 573948210 /nfs/dbraw/zinc/94/82/10/573948210.db2.gz YERKRFUPNBEBMW-POHAHGRESA-N 0 0 188.230 1.822 10 0 ADAERN CCC(CC)n1nnc2c1CCNC2 85004585 573948217 /nfs/dbraw/zinc/94/82/17/573948217.db2.gz XPVOKEWYPULIKK-UHFFFAOYSA-N 0 0 194.282 1.285 10 0 ADAERN CC1(C)CC2(C)[C@H]3C(=O)C1=C(O)[C@H]32 238204579 573948219 /nfs/dbraw/zinc/94/82/19/573948219.db2.gz ZHALHCCVYWPQMW-OLCXYEJGSA-N 0 0 178.231 1.437 10 0 ADAERN CC(=O)NC(=S)C(C)C 238205267 573948226 /nfs/dbraw/zinc/94/82/26/573948226.db2.gz LHACUPZSNPKUIB-UHFFFAOYSA-N 0 0 145.227 1.106 10 0 ADAERN Cc1nc(-c2ccoc2)nc(N)c1F 85005430 573948227 /nfs/dbraw/zinc/94/82/27/573948227.db2.gz FLBUGSXTFSGIBI-UHFFFAOYSA-N 0 0 193.181 1.766 10 0 ADAERN CC1(C)CCC[C@H]([C@H](C[NH3+])C(=O)[O-])C1 238215327 573948235 /nfs/dbraw/zinc/94/82/35/573948235.db2.gz IWVJFHRFHTXZSL-IUCAKERBSA-N 0 0 199.294 1.862 10 0 ADAERN CC(C)O/C=C/CCO 238205909 573948244 /nfs/dbraw/zinc/94/82/44/573948244.db2.gz HDSRWWUZRSTYHO-GQCTYLIASA-N 0 0 130.187 1.308 10 0 ADAERN CC(C)(C)c1c[nH]c(C2(CO)CC2)n1 259026137 573948247 /nfs/dbraw/zinc/94/82/47/573948247.db2.gz FWOUCJAOYBPZTB-UHFFFAOYSA-N 0 0 194.278 1.731 10 0 ADAERN COc1c(O)ccc(CO)c1F 257915375 573948254 /nfs/dbraw/zinc/94/82/54/573948254.db2.gz BITSDLFDYTZRIT-UHFFFAOYSA-N 0 0 172.155 1.032 10 0 ADAERN CCOC(=O)N1CCSC[C@@H]1C 81560075 573952547 /nfs/dbraw/zinc/95/25/47/573952547.db2.gz PTJMLAVSMZOKIG-ZETCQYMHSA-N 0 0 189.280 1.580 10 0 ADAERN CO[C@H]1CCC[C@H]1NC(=O)C1CC1 81561251 573951850 /nfs/dbraw/zinc/95/18/50/573951850.db2.gz WVLJWHPLVDJQLY-BDAKNGLRSA-N 0 0 183.251 1.080 10 0 ADAERN CC(C)[C@]1(C)CC[C@@H](C(N)=O)C1 238208226 573951851 /nfs/dbraw/zinc/95/18/51/573951851.db2.gz QHQYIJWDBZVDEZ-PSASIEDQSA-N 0 0 169.268 1.934 10 0 ADAERN Cc1ccnc(N)c1[C@H](O)CC1CC1 87581105 573951873 /nfs/dbraw/zinc/95/18/73/573951873.db2.gz FJYKODCDCZGCEH-SECBINFHSA-N 0 0 192.262 1.806 10 0 ADAERN CNC(=O)C[C@H]1C=CCC1 104086621 573951887 /nfs/dbraw/zinc/95/18/87/573951887.db2.gz BYJMUKYPASBDFF-ZETCQYMHSA-N 0 0 139.198 1.089 10 0 ADAERN O=C1N[C@H]([C@H]2CCCCS2)CO1 258187574 573951891 /nfs/dbraw/zinc/95/18/91/573951891.db2.gz FJSKKVPIOLPIHS-NKWVEPMBSA-N 0 0 187.264 1.381 10 0 ADAERN C[N@H+](Cc1ccoc1)C(C)(C)C(=O)[O-] 42449118 573951898 /nfs/dbraw/zinc/95/18/98/573951898.db2.gz PTKGRBCWILOZOY-UHFFFAOYSA-N 0 0 197.234 1.575 10 0 ADAERN CCn1nc(COC)cc1Cl 85019183 573951900 /nfs/dbraw/zinc/95/19/00/573951900.db2.gz ANQORYNAZDZQLA-UHFFFAOYSA-N 0 0 174.631 1.703 10 0 ADAERN Cn1nc2c(c1Cl)CCCC2 85018537 573951907 /nfs/dbraw/zinc/95/19/07/573951907.db2.gz IAZMRCDAEOWKHU-UHFFFAOYSA-N 0 0 170.643 1.952 10 0 ADAERN CCCSc1cc(N)on1 87584369 573951909 /nfs/dbraw/zinc/95/19/09/573951909.db2.gz ZAUDAMVWDSFHMB-UHFFFAOYSA-N 0 0 158.226 1.759 10 0 ADAERN Cc1[nH]c([C@@]2(C)CCCO2)nc1O 235833868 573951910 /nfs/dbraw/zinc/95/19/10/573951910.db2.gz KOPOEOPIUGPEQE-SECBINFHSA-N 0 0 182.223 1.449 10 0 ADAERN Cc1nc([C@@H]2CC23CCOCC3)n[nH]1 690079443 573951940 /nfs/dbraw/zinc/95/19/40/573951940.db2.gz XGHCKXHCRDWHTP-QMMMGPOBSA-N 0 0 193.250 1.397 10 0 ADAERN CC[C@H](C)NC=S 104087222 573951941 /nfs/dbraw/zinc/95/19/41/573951941.db2.gz UKAHSLCSRSPHGJ-YFKPBYRVSA-N 0 0 117.217 1.332 10 0 ADAERN CC(C)S(=O)(=O)N1CCC[C@@H]1C 81572281 573951944 /nfs/dbraw/zinc/95/19/44/573951944.db2.gz ZONBVOQCKIRMST-QMMMGPOBSA-N 0 0 191.296 1.209 10 0 ADAERN C[C@H](CC(=O)[O-])[N@H+](C)Cc1ccoc1 42448419 573951972 /nfs/dbraw/zinc/95/19/72/573951972.db2.gz OZEGEYDNQHZOSL-MRVPVSSYSA-N 0 0 197.234 1.575 10 0 ADAERN Cc1ccccc1[C@H]1CCON1 257910260 573952021 /nfs/dbraw/zinc/95/20/21/573952021.db2.gz AJVWNXVBOZJJRI-SNVBAGLBSA-N 0 0 163.220 1.961 10 0 ADAERN Cc1nn(C)cc1-c1cccnc1N 85017687 573952028 /nfs/dbraw/zinc/95/20/28/573952028.db2.gz XBSIBQCJVFWMRG-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN CC(C)c1ncc([C@H](C)CO)o1 257910477 573952035 /nfs/dbraw/zinc/95/20/35/573952035.db2.gz CLDAHLWJELZEPE-SSDOTTSWSA-N 0 0 169.224 1.894 10 0 ADAERN Cc1cc(C)c(F)c(CCO)c1 257910180 573952042 /nfs/dbraw/zinc/95/20/42/573952042.db2.gz ARSWPOUTYVNBTH-UHFFFAOYSA-N 0 0 168.211 1.977 10 0 ADAERN Nc1cnnc(-c2ccc(Cl)o2)c1 257911137 573952045 /nfs/dbraw/zinc/95/20/45/573952045.db2.gz IVTLDCGTWSJQGQ-UHFFFAOYSA-N 0 0 195.609 1.972 10 0 ADAERN CCC(=O)NC(=S)SC 238208479 573952065 /nfs/dbraw/zinc/95/20/65/573952065.db2.gz OSTIXUHPXKOBPO-UHFFFAOYSA-N 0 0 163.267 1.161 10 0 ADAERN CCc1ccn(-c2cc(C)ncn2)n1 85020468 573952075 /nfs/dbraw/zinc/95/20/75/573952075.db2.gz XYQWQNZVGWNHPC-UHFFFAOYSA-N 0 0 188.234 1.533 10 0 ADAERN Cc1ccc2cnc([C@@H](C)O)n2c1 257915623 573952085 /nfs/dbraw/zinc/95/20/85/573952085.db2.gz QTCGQKIUTRNENX-MRVPVSSYSA-N 0 0 176.219 1.696 10 0 ADAERN CNc1nc(CC2CC2)nc(C)c1F 87583512 573952096 /nfs/dbraw/zinc/95/20/96/573952096.db2.gz YAFWKHPFEJCCRD-UHFFFAOYSA-N 0 0 195.241 1.918 10 0 ADAERN COCCc1cn2ccc(N)cc2n1 257910867 573952100 /nfs/dbraw/zinc/95/21/00/573952100.db2.gz GVEFEXIKUHKMLD-UHFFFAOYSA-N 0 0 191.234 1.105 10 0 ADAERN CO[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)C 81561279 573952107 /nfs/dbraw/zinc/95/21/07/573952107.db2.gz WTMRULXHDQTUCS-DTWKUNHWSA-N 0 0 199.294 1.716 10 0 ADAERN Cc1ccc(C(=O)CN(C)C)c(O)c1 104100966 573952132 /nfs/dbraw/zinc/95/21/32/573952132.db2.gz MYXOGKVFKDGYLK-UHFFFAOYSA-N 0 0 193.246 1.445 10 0 ADAERN CO[C@@H]1CCC[C@@H]1NC(=O)C(C)C 81561265 573952136 /nfs/dbraw/zinc/95/21/36/573952136.db2.gz LMYALNLJYJNCQK-DTWKUNHWSA-N 0 0 185.267 1.326 10 0 ADAERN CCNc1ccnc(CC2CC2)n1 87583475 573952140 /nfs/dbraw/zinc/95/21/40/573952140.db2.gz ZPAWHESKBWKACS-UHFFFAOYSA-N 0 0 177.251 1.861 10 0 ADAERN CC(C)[C@@]12CCC(=O)[C@@H]1O2 238207176 573952155 /nfs/dbraw/zinc/95/21/55/573952155.db2.gz YUWJMORFXYBKEY-YUMQZZPRSA-N 0 0 140.182 1.143 10 0 ADAERN CCOC(=O)Nc1nnc(C2CC2)o1 81559914 573952157 /nfs/dbraw/zinc/95/21/57/573952157.db2.gz IMINGZPUKOKTRY-UHFFFAOYSA-N 0 0 197.194 1.515 10 0 ADAERN Cc1nccnc1-c1ccno1 235834455 573952179 /nfs/dbraw/zinc/95/21/79/573952179.db2.gz LJPBCRAYHDIFIR-UHFFFAOYSA-N 0 0 161.164 1.440 10 0 ADAERN CCCN(CC(N)=S)CC(F)F 45093567 573952180 /nfs/dbraw/zinc/95/21/80/573952180.db2.gz ICDZSLATQCMGSP-UHFFFAOYSA-N 0 0 196.266 1.250 10 0 ADAERN CC(C)Nc1nc(CC2CC2)no1 87583682 573952184 /nfs/dbraw/zinc/95/21/84/573952184.db2.gz BLGULPQZEMOSPH-UHFFFAOYSA-N 0 0 181.239 1.842 10 0 ADAERN COC(=N)CC1CC1 87583193 573952196 /nfs/dbraw/zinc/95/21/96/573952196.db2.gz BGQBLPYNLKEMGS-UHFFFAOYSA-N 0 0 113.160 1.410 10 0 ADAERN C[C@H]1COc2cccc(CCO)c21 257910399 573952207 /nfs/dbraw/zinc/95/22/07/573952207.db2.gz BICSSHDSMAXPOH-QMMMGPOBSA-N 0 0 178.231 1.717 10 0 ADAERN CCC(=O)NC(=S)c1ccccc1 238208503 573952210 /nfs/dbraw/zinc/95/22/10/573952210.db2.gz UBTOGEQGCGQJTH-UHFFFAOYSA-N 0 0 193.271 1.888 10 0 ADAERN COc1ccc(C=O)c(CC(C)=O)c1 258024666 573952211 /nfs/dbraw/zinc/95/22/11/573952211.db2.gz ILSIZNHTVBHMCH-UHFFFAOYSA-N 0 0 192.214 1.639 10 0 ADAERN CCCc1nn(C)c(N(C)C)c1N 85021501 573952213 /nfs/dbraw/zinc/95/22/13/573952213.db2.gz MKUAUGQLDPPVEF-UHFFFAOYSA-N 0 0 182.271 1.021 10 0 ADAERN COc1cc(CON)cc(F)c1C 258186878 573952232 /nfs/dbraw/zinc/95/22/32/573952232.db2.gz WZSLFZRLYKCDDC-UHFFFAOYSA-N 0 0 185.198 1.533 10 0 ADAERN CC1=C[C@@H](C)C[C@@H]1O 197854116 573952235 /nfs/dbraw/zinc/95/22/35/573952235.db2.gz WOTLBVYNLWFEJE-VDTYLAMSSA-N 0 0 112.172 1.333 10 0 ADAERN CCCCOC(=O)CN[C@@H]1CC1(C)C 45119555 573952242 /nfs/dbraw/zinc/95/22/42/573952242.db2.gz PFKMKMQTMODNIV-SECBINFHSA-N 0 0 199.294 1.718 10 0 ADAERN CSc1cc(N)n(CC(C)C)n1 87584240 573952248 /nfs/dbraw/zinc/95/22/48/573952248.db2.gz DYILXMGGGJEZEM-UHFFFAOYSA-N 0 0 185.296 1.843 10 0 ADAERN CCc1nn(C)c(N2CCCC2)c1N 85020601 573952255 /nfs/dbraw/zinc/95/22/55/573952255.db2.gz XUXAZPULJTYDSQ-UHFFFAOYSA-N 0 0 194.282 1.165 10 0 ADAERN Nc1noc2c1C[C@H](F)CC2 257909773 573952267 /nfs/dbraw/zinc/95/22/67/573952267.db2.gz AHCMUGVQAVCXEH-SCSAIBSYSA-N 0 0 156.160 1.084 10 0 ADAERN CC=C[C@@H](O)c1ncc(C)s1 642825081 573952277 /nfs/dbraw/zinc/95/22/77/573952277.db2.gz MSKGOWYTIQYIHV-KGGZQZJCSA-N 0 0 168.241 1.733 10 0 ADAERN CC(C)OC(=O)c1ccn(C)c1N 257911108 573952295 /nfs/dbraw/zinc/95/22/95/573952295.db2.gz MDPFJKIJYZDDIU-UHFFFAOYSA-N 0 0 182.223 1.173 10 0 ADAERN CNC(=O)C[C@@H]1C=CCC1 104086628 573952308 /nfs/dbraw/zinc/95/23/08/573952308.db2.gz BYJMUKYPASBDFF-SSDOTTSWSA-N 0 0 139.198 1.089 10 0 ADAERN Clc1n[nH]c2c1CCC2 85018730 573952343 /nfs/dbraw/zinc/95/23/43/573952343.db2.gz NZPSOZLIIQQGCP-UHFFFAOYSA-N 0 0 142.589 1.552 10 0 ADAERN CCC(=O)NC(=O)c1ccc(C)cc1 238208327 573952344 /nfs/dbraw/zinc/95/23/44/573952344.db2.gz MBKQUWGKMDJEQK-UHFFFAOYSA-N 0 0 191.230 1.661 10 0 ADAERN CC(C)c1nn(C)c(NC2CC2)c1N 85021861 573952350 /nfs/dbraw/zinc/95/23/50/573952350.db2.gz HEQKCMPAUFKPOK-UHFFFAOYSA-N 0 0 194.282 1.700 10 0 ADAERN Nc1ccc(C[NH2+]C2CC2)cc1[S-] 259249074 573952351 /nfs/dbraw/zinc/95/23/51/573952351.db2.gz AHNHYQBJVQTGKQ-UHFFFAOYSA-N 0 0 194.303 1.810 10 0 ADAERN CC(=O)[C@H](O)CC1CCCCC1 238206711 573952363 /nfs/dbraw/zinc/95/23/63/573952363.db2.gz AZAQPAAPZAWNCB-SNVBAGLBSA-N 0 0 170.252 1.907 10 0 ADAERN NOCC(=O)C1CCCCCC1 257910191 573952376 /nfs/dbraw/zinc/95/23/76/573952376.db2.gz QEPTULNDPUHPHQ-UHFFFAOYSA-N 0 0 171.240 1.416 10 0 ADAERN CC(=O)CN1C[C@H](C(C)(C)C)NC1=O 259248533 573952384 /nfs/dbraw/zinc/95/23/84/573952384.db2.gz DEEKFDRNLRIVKV-MRVPVSSYSA-N 0 0 198.266 1.015 10 0 ADAERN Nc1ncccc1[C@H](O)CC1CC1 87581289 573952388 /nfs/dbraw/zinc/95/23/88/573952388.db2.gz RFCMLKYMFWZEDS-SECBINFHSA-N 0 0 178.235 1.497 10 0 ADAERN CCC(O)(CC)[C@@H](C)[C@@H](C)O 238206883 573952394 /nfs/dbraw/zinc/95/23/94/573952394.db2.gz ZOMOEWVRPOSKGO-JGVFFNPUSA-N 0 0 160.257 1.554 10 0 ADAERN CC(C)[C@]1(C)CC[C@H](C(N)=O)C1 238208311 573952415 /nfs/dbraw/zinc/95/24/15/573952415.db2.gz QHQYIJWDBZVDEZ-WCBMZHEXSA-N 0 0 169.268 1.934 10 0 ADAERN OC[C@@H]1CC[C@@H]1c1ccccc1O 257910175 573952417 /nfs/dbraw/zinc/95/24/17/573952417.db2.gz QENPBSGBCQRTFO-IUCAKERBSA-N 0 0 178.231 1.878 10 0 ADAERN Cn1nccc1C(=O)CC1CC1 87580818 573952424 /nfs/dbraw/zinc/95/24/24/573952424.db2.gz DMIBOIAAKJXVCZ-UHFFFAOYSA-N 0 0 164.208 1.403 10 0 ADAERN CCNc1ncnc2ccc(N)cc12 81589383 573952425 /nfs/dbraw/zinc/95/24/25/573952425.db2.gz AINDVTINTCQPDG-UHFFFAOYSA-N 0 0 188.234 1.644 10 0 ADAERN CC[C@@H](CNC(=O)[C@@H](C)O)C(C)C 308471431 573952429 /nfs/dbraw/zinc/95/24/29/573952429.db2.gz KPILGXZOSYGSCC-BDAKNGLRSA-N 0 0 187.283 1.166 10 0 ADAERN CCNC(=N)c1cncs1 87575319 573952447 /nfs/dbraw/zinc/95/24/47/573952447.db2.gz HSRQYQXADWJCBF-UHFFFAOYSA-N 0 0 155.226 1.078 10 0 ADAERN C[C@H](C[NH2+][C@H]1CC1(C)C)C(=O)[O-] 45119515 573952471 /nfs/dbraw/zinc/95/24/71/573952471.db2.gz GPVHXNXWYDQPMS-RQJHMYQMSA-N 0 0 171.240 1.095 10 0 ADAERN O=C1CCCN(C2CCC2)C1 258461945 573952479 /nfs/dbraw/zinc/95/24/79/573952479.db2.gz HDAHAUXKVDEPLW-UHFFFAOYSA-N 0 0 153.225 1.204 10 0 ADAERN O=Cc1cnc(-c2cncs2)nc1 87575211 573952487 /nfs/dbraw/zinc/95/24/87/573952487.db2.gz PPFHUENQTMAQTH-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN CCc1nn(C)c(N[C@@H](C)CC)c1N 85020661 573952496 /nfs/dbraw/zinc/95/24/96/573952496.db2.gz BLKQHLKEUBRQST-ZETCQYMHSA-N 0 0 196.298 1.775 10 0 ADAERN CCc1c(C)nc(CC2CC2)[nH]c1=O 87580507 573952500 /nfs/dbraw/zinc/95/25/00/573952500.db2.gz PXTWGDKHUVGSKK-UHFFFAOYSA-N 0 0 192.262 1.593 10 0 ADAERN CC(C)[C@@]12CC[C@@](C)(CC1=O)O2 238207740 573952506 /nfs/dbraw/zinc/95/25/06/573952506.db2.gz HGSFPSAJBNNZNV-UWVGGRQHSA-N 0 0 168.236 1.923 10 0 ADAERN CC(C)[C@@]1([C@H](C)O)C=CCCC1=O 238206931 573952512 /nfs/dbraw/zinc/95/25/12/573952512.db2.gz MKNJGPVFGANSOO-GXSJLCMTSA-N 0 0 182.263 1.929 10 0 ADAERN Cc1nn(C2CC2)c(C)c1CCO 257910240 573952528 /nfs/dbraw/zinc/95/25/28/573952528.db2.gz QFFKWDCLDFBREX-UHFFFAOYSA-N 0 0 180.251 1.370 10 0 ADAERN Cc1cc2oc(C=O)cc2n1C 258462138 573955386 /nfs/dbraw/zinc/95/53/86/573955386.db2.gz HIGFMHAVZJTVJT-UHFFFAOYSA-N 0 0 163.176 1.892 10 0 ADAERN CNC(C)(C)c1nc(CC2CC2)no1 87580348 573955388 /nfs/dbraw/zinc/95/53/88/573955388.db2.gz CPQDMKKRUVYNOB-UHFFFAOYSA-N 0 0 195.266 1.477 10 0 ADAERN CC(C)[NH2+]C[C@H]1CC[C@@H](C(=O)[O-])C1 257911439 573955404 /nfs/dbraw/zinc/95/54/04/573955404.db2.gz QHVXJDWPLHIGPS-DTWKUNHWSA-N 0 0 185.267 1.485 10 0 ADAERN CCn1nc(C)c(N)c1OC1CCC1 85022979 573955433 /nfs/dbraw/zinc/95/54/33/573955433.db2.gz JSMYHOGVZAUWGY-UHFFFAOYSA-N 0 0 195.266 1.725 10 0 ADAERN CCSc1cc(N)n[nH]1 87584352 573955438 /nfs/dbraw/zinc/95/54/38/573955438.db2.gz JTTBHPNEHFKEOH-UHFFFAOYSA-N 0 0 143.215 1.104 10 0 ADAERN CCn1nc(C)c(N)c1OC(C)(C)C 85022943 573955456 /nfs/dbraw/zinc/95/54/56/573955456.db2.gz PFWUVAKRVVEYRS-UHFFFAOYSA-N 0 0 197.282 1.971 10 0 ADAERN CC(C)[C@]1(C)NC(=S)NC1=S 238208712 573955461 /nfs/dbraw/zinc/95/54/61/573955461.db2.gz SSPCAURAKKYTMX-ZETCQYMHSA-N 0 0 188.321 1.206 10 0 ADAERN C[NH2+][C@@]1(C(=O)[O-])CCC[C@@H](C2CC2)C1 81643549 573955469 /nfs/dbraw/zinc/95/54/69/573955469.db2.gz HNYKEIHOGNOLCN-KOLCDFICSA-N 0 0 197.278 1.629 10 0 ADAERN CNc1nc(CC2CC2)no1 87583675 573955472 /nfs/dbraw/zinc/95/54/72/573955472.db2.gz SRQSPSAUCBWKTO-UHFFFAOYSA-N 0 0 153.185 1.064 10 0 ADAERN CC1=C(CCO)CC2(CC1)OCCO2 238209124 573955486 /nfs/dbraw/zinc/95/54/86/573955486.db2.gz HDHSXYOFGPQGPP-UHFFFAOYSA-N 0 0 198.262 1.612 10 0 ADAERN CCn1nc(C)c(N)c1N[C@@H]1C[C@@H]1C 85022649 573955490 /nfs/dbraw/zinc/95/54/90/573955490.db2.gz VVQWXSFAQAMFMI-POYBYMJQSA-N 0 0 194.282 1.614 10 0 ADAERN CCC[C@H](C)CN1CCCN(N)C1=O 127694461 573955498 /nfs/dbraw/zinc/95/54/98/573955498.db2.gz ZRCPULFIJGXTPL-VIFPVBQESA-N 0 0 199.298 1.424 10 0 ADAERN N=C(Nc1ccccc1)c1ccnnc1 238557392 573955505 /nfs/dbraw/zinc/95/55/05/573955505.db2.gz LVVQAMQEIYUGNI-UHFFFAOYSA-N 0 0 198.229 1.914 10 0 ADAERN Cc1cc([C@@H](COC2CC2)NN)co1 716873188 573956074 /nfs/dbraw/zinc/95/60/74/573956074.db2.gz OQLHBANHFKXOIK-SNVBAGLBSA-N 0 0 196.250 1.271 10 0 ADAERN O=C1CN2C=C(Cl)C=CC2=N1 104098840 573955515 /nfs/dbraw/zinc/95/55/15/573955515.db2.gz VMMDPDPBEKVTPE-UHFFFAOYSA-N 0 0 168.583 1.693 10 0 ADAERN CCc1cc(=O)[nH]c(CC2CC2)n1 87580499 573955527 /nfs/dbraw/zinc/95/55/27/573955527.db2.gz XSEYEXQMAOWJDV-UHFFFAOYSA-N 0 0 178.235 1.285 10 0 ADAERN Nc1nn(C2CC2)c2c1CCCC2 257911423 573955535 /nfs/dbraw/zinc/95/55/35/573955535.db2.gz QGTOWJFZBJCAKI-UHFFFAOYSA-N 0 0 177.251 1.679 10 0 ADAERN Nc1c(Cl)cnn1CC1CCC1 87584672 573955537 /nfs/dbraw/zinc/95/55/37/573955537.db2.gz HRNLIOBOQPQWDW-UHFFFAOYSA-N 0 0 185.658 1.919 10 0 ADAERN COC(=N)c1cncs1 87574941 573955551 /nfs/dbraw/zinc/95/55/51/573955551.db2.gz VHDVNWLIFIGUQX-UHFFFAOYSA-N 0 0 142.183 1.115 10 0 ADAERN C[C@@H](O)c1cccc2c1NC(=O)CC2 258189674 573955553 /nfs/dbraw/zinc/95/55/53/573955553.db2.gz XITXPUJFYMAORQ-SSDOTTSWSA-N 0 0 191.230 1.625 10 0 ADAERN O=c1[nH]c(CC2CC2)nc2c1CCC2 87580508 573955583 /nfs/dbraw/zinc/95/55/83/573955583.db2.gz OVQWVVCTFSACJI-UHFFFAOYSA-N 0 0 190.246 1.211 10 0 ADAERN C[C@@H](O)c1cnc(C2CCC2)o1 258189175 573955594 /nfs/dbraw/zinc/95/55/94/573955594.db2.gz SMHDSKOSIXYCQA-ZCFIWIBFSA-N 0 0 167.208 1.995 10 0 ADAERN Nc1onc(Cl)c1C1CC1 258462040 573955598 /nfs/dbraw/zinc/95/55/98/573955598.db2.gz HFLVEYFARALNBW-UHFFFAOYSA-N 0 0 158.588 1.788 10 0 ADAERN N[C@@H](c1ccco1)c1cncs1 87574124 573955600 /nfs/dbraw/zinc/95/56/00/573955600.db2.gz KNZNYNCAMIZAOL-QMMMGPOBSA-N 0 0 180.232 1.784 10 0 ADAERN CC1(C)[C@@H](O)CCCC[C@@H]1O 238209356 573955607 /nfs/dbraw/zinc/95/56/07/573955607.db2.gz MGQFWRGIHALSFI-YUMQZZPRSA-N 0 0 158.241 1.308 10 0 ADAERN CCn1nc(C)c(N)c1N[C@H]1C[C@@H]1C 85022651 573955608 /nfs/dbraw/zinc/95/56/08/573955608.db2.gz VVQWXSFAQAMFMI-XPUUQOCRSA-N 0 0 194.282 1.614 10 0 ADAERN CCn1c(=O)[nH]c2cccc(O)c21 257912739 573955609 /nfs/dbraw/zinc/95/56/09/573955609.db2.gz MKRJCPSSDODZKP-UHFFFAOYSA-N 0 0 178.191 1.055 10 0 ADAERN O=Cc1ccnc(-c2cncs2)n1 87575209 573955612 /nfs/dbraw/zinc/95/56/12/573955612.db2.gz TVZUCLWKMSCOHE-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN C1CCC([C@@H]2CCON2)C1 258462004 573955637 /nfs/dbraw/zinc/95/56/37/573955637.db2.gz HELQTWIZGHJUER-QMMMGPOBSA-N 0 0 141.214 1.470 10 0 ADAERN Oc1cccc([C@H]2CCON2)c1 257911698 573955682 /nfs/dbraw/zinc/95/56/82/573955682.db2.gz AOGQZCJVPRLIKS-SECBINFHSA-N 0 0 165.192 1.358 10 0 ADAERN CC1(C)C(=O)c2ccccc2O[C@@H]1O 238209680 573955686 /nfs/dbraw/zinc/95/56/86/573955686.db2.gz WOXXWKRTAMIRSX-JTQLQIEISA-N 0 0 192.214 1.606 10 0 ADAERN CC1=C(CCO)CCC1 238209146 573955708 /nfs/dbraw/zinc/95/57/08/573955708.db2.gz ZHAMUIQYISMIDL-UHFFFAOYSA-N 0 0 126.199 1.869 10 0 ADAERN O=Cc1noc2c1CC[C@H]2F 257911532 573955719 /nfs/dbraw/zinc/95/57/19/573955719.db2.gz ALTHDVZNILOPIB-RXMQYKEDSA-N 0 0 155.128 1.444 10 0 ADAERN C[NH2+][C@]1(C(=O)[O-])CCC[C@H](C2CC2)C1 81643528 573955721 /nfs/dbraw/zinc/95/57/21/573955721.db2.gz HNYKEIHOGNOLCN-GXSJLCMTSA-N 0 0 197.278 1.629 10 0 ADAERN COC(=O)C[C@@H]1CCO[C@@H](C)C1 259587371 573955728 /nfs/dbraw/zinc/95/57/28/573955728.db2.gz KYQHBFYYXRHRIH-JGVFFNPUSA-N 0 0 172.224 1.365 10 0 ADAERN CC(=O)[C@H](N)c1ccc2ncoc2c1 259250671 573955732 /nfs/dbraw/zinc/95/57/32/573955732.db2.gz KRLDAKYMDOHMTK-JTQLQIEISA-N 0 0 190.202 1.417 10 0 ADAERN NN[C@H]1CCC[C@@H](C2CC2)C1 81643513 573955756 /nfs/dbraw/zinc/95/57/56/573955756.db2.gz GRZDFGSPNCPWFD-BDAKNGLRSA-N 0 0 154.257 1.419 10 0 ADAERN CC(C)CNC(=N)c1cncs1 87575324 573955759 /nfs/dbraw/zinc/95/57/59/573955759.db2.gz DBOXIMRELQXDMJ-UHFFFAOYSA-N 0 0 183.280 1.714 10 0 ADAERN O=Cc1cc(F)ccc1CO 257911994 573955764 /nfs/dbraw/zinc/95/57/64/573955764.db2.gz AYJPMZVYUQLQBU-UHFFFAOYSA-N 0 0 154.140 1.131 10 0 ADAERN Cn1nccc1[C@@H](O)CC1CC1 87581498 573955768 /nfs/dbraw/zinc/95/57/68/573955768.db2.gz ZSUJSIZENHDAFN-VIFPVBQESA-N 0 0 166.224 1.254 10 0 ADAERN N=C(c1cncs1)N1CCCC1 87575329 573955780 /nfs/dbraw/zinc/95/57/80/573955780.db2.gz LHTCDJJINPGWQC-UHFFFAOYSA-N 0 0 181.264 1.564 10 0 ADAERN Nc1cccc2c(CO)csc12 257911769 573955788 /nfs/dbraw/zinc/95/57/88/573955788.db2.gz PXCVRNQCQYVLDT-UHFFFAOYSA-N 0 0 179.244 1.976 10 0 ADAERN CC1(C)c2ccccc2OC[C@@H]1O 238209645 573955819 /nfs/dbraw/zinc/95/58/19/573955819.db2.gz HBCBACAMIKUTJH-JTQLQIEISA-N 0 0 178.231 1.718 10 0 ADAERN Cc1ccc(-c2nc(C=O)no2)o1 258189787 573955824 /nfs/dbraw/zinc/95/58/24/573955824.db2.gz YNPSWMRADNGXLR-UHFFFAOYSA-N 0 0 178.147 1.451 10 0 ADAERN Cc1ccc(C=O)c(C[C@@H](C)O)c1 257911644 573955828 /nfs/dbraw/zinc/95/58/28/573955828.db2.gz ATZCAZJHKKZNFR-SECBINFHSA-N 0 0 178.231 1.731 10 0 ADAERN CCCNC(=N)c1cncs1 87575320 573955829 /nfs/dbraw/zinc/95/58/29/573955829.db2.gz VPBQZYGQXJHMJQ-UHFFFAOYSA-N 0 0 169.253 1.468 10 0 ADAERN CC(C)[N@@H+]1CCC=C(CCC(=O)[O-])C1 258189768 573955867 /nfs/dbraw/zinc/95/58/67/573955867.db2.gz TXVSKIYETSUMTH-UHFFFAOYSA-N 0 0 197.278 1.892 10 0 ADAERN N=C(NC1CC1)c1cncs1 87575322 573955873 /nfs/dbraw/zinc/95/58/73/573955873.db2.gz BOJCCWCWQVPIKY-UHFFFAOYSA-N 0 0 167.237 1.220 10 0 ADAERN OC(CC1CC1)CC1CC1 87581097 573955881 /nfs/dbraw/zinc/95/58/81/573955881.db2.gz UYOSTXIRQHMYID-UHFFFAOYSA-N 0 0 140.226 1.948 10 0 ADAERN C[C@H](O)c1nc(CC2CC2)no1 87583992 573955885 /nfs/dbraw/zinc/95/58/85/573955885.db2.gz YFYXHYWEWCMGIW-YFKPBYRVSA-N 0 0 168.196 1.075 10 0 ADAERN CC(C)NC(=N)c1cncs1 87575321 573955892 /nfs/dbraw/zinc/95/58/92/573955892.db2.gz ZIRPYPSDBGZKEU-UHFFFAOYSA-N 0 0 169.253 1.466 10 0 ADAERN CC(C)[C@@]12C[C@@H]1CN(N=O)C2 238208690 573955907 /nfs/dbraw/zinc/95/59/07/573955907.db2.gz UGZQUSBSOGJPBW-SFYZADRCSA-N 0 0 154.213 1.646 10 0 ADAERN CCOC(=N)c1cncs1 87574942 573955909 /nfs/dbraw/zinc/95/59/09/573955909.db2.gz PGWBYQRZLYZPTQ-UHFFFAOYSA-N 0 0 156.210 1.505 10 0 ADAERN CC1(c2cc(N)on2)CCOCC1 257912776 573955967 /nfs/dbraw/zinc/95/59/67/573955967.db2.gz QLYVMOXPBQCUAU-UHFFFAOYSA-N 0 0 182.223 1.325 10 0 ADAERN ONCCc1ccccc1Cl 257911425 573955981 /nfs/dbraw/zinc/95/59/81/573955981.db2.gz QGUXHGAYIXXMBT-UHFFFAOYSA-N 0 0 171.627 1.861 10 0 ADAERN CC1(C)[C@H]2C(=O)[C@](C)(O)C=C[C@H]21 238210730 573955997 /nfs/dbraw/zinc/95/59/97/573955997.db2.gz WMMWEBXZKFTBRV-BRDIYROLSA-N 0 0 166.220 1.149 10 0 ADAERN Cc1oc(CCO)nc1[C@H]1CCOC1 258188614 573956005 /nfs/dbraw/zinc/95/60/05/573956005.db2.gz VQOKCUNZEHMXDV-QMMMGPOBSA-N 0 0 197.234 1.022 10 0 ADAERN O=Cc1c[nH]nc1-c1cncc(F)c1 81624426 573956014 /nfs/dbraw/zinc/95/60/14/573956014.db2.gz SZADCJOWXQIPJC-UHFFFAOYSA-N 0 0 191.165 1.423 10 0 ADAERN CC/C(Br)=C/CO 238209123 573956016 /nfs/dbraw/zinc/95/60/16/573956016.db2.gz BGZRZAVTOMAMHG-HYXAFXHYSA-N 0 0 165.030 1.668 10 0 ADAERN CC(C)c1cc(=O)[nH]c(CC2CC2)n1 87580501 573956017 /nfs/dbraw/zinc/95/60/17/573956017.db2.gz MELXCQCVULUGSZ-UHFFFAOYSA-N 0 0 192.262 1.846 10 0 ADAERN CNc1nc(-c2cncs2)no1 87575182 573956022 /nfs/dbraw/zinc/95/60/22/573956022.db2.gz GOODARAYKMUJEU-UHFFFAOYSA-N 0 0 182.208 1.235 10 0 ADAERN CNc1ccnc(-c2cncs2)n1 87575080 573956027 /nfs/dbraw/zinc/95/60/27/573956027.db2.gz LWIAQLZBBOJAIY-UHFFFAOYSA-N 0 0 192.247 1.642 10 0 ADAERN CO[C@@H](CCO)c1ccc(O)cc1 257920961 573963203 /nfs/dbraw/zinc/96/32/03/573963203.db2.gz RMJGVECTNZLRIE-JTQLQIEISA-N 0 0 182.219 1.462 10 0 ADAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH3+])C2=O 238215908 573963236 /nfs/dbraw/zinc/96/32/36/573963236.db2.gz RSDQNENNXCCUPA-PMVVWTBXSA-N 0 0 167.252 1.339 10 0 ADAERN CC(C)Cn1nc(NC(C)C)nc1N 87587043 573963371 /nfs/dbraw/zinc/96/33/71/573963371.db2.gz IDPXZEKGBRCDGF-UHFFFAOYSA-N 0 0 197.286 1.337 10 0 ADAERN O=C1N=C(c2ccc(O)cc2)CO1 257922316 573963384 /nfs/dbraw/zinc/96/33/84/573963384.db2.gz RQQWQNDEUNVUNR-UHFFFAOYSA-N 0 0 177.159 1.753 10 0 ADAERN CCn1nc(NC(C)(C)C)nc1N 87587092 573963396 /nfs/dbraw/zinc/96/33/96/573963396.db2.gz MOSJCFIADPGBFX-UHFFFAOYSA-N 0 0 183.259 1.091 10 0 ADAERN Cc1cn(C)c(=O)c2ccc(F)cc12 257920620 573963443 /nfs/dbraw/zinc/96/34/43/573963443.db2.gz ARSXXYDEGNHYHQ-UHFFFAOYSA-N 0 0 191.205 1.986 10 0 ADAERN OC1(CC[C@@H]2CCCOC2)CC1 257920435 573963465 /nfs/dbraw/zinc/96/34/65/573963465.db2.gz GCHJMXDUFWUVPL-VIFPVBQESA-N 0 0 170.252 1.718 10 0 ADAERN CCNc1nc(N)n(C(C)(C)C)n1 87587026 573963480 /nfs/dbraw/zinc/96/34/80/573963480.db2.gz QAHMKJAESOAMPG-UHFFFAOYSA-N 0 0 183.259 1.047 10 0 ADAERN CC(C)[C@H](O)[C@H]1C=CCC1 238217000 573963557 /nfs/dbraw/zinc/96/35/57/573963557.db2.gz QRBMXIUYIKOXQL-IUCAKERBSA-N 0 0 140.226 1.970 10 0 ADAERN CSc1nc(N)n([C@@H](C)C2CC2)n1 87586893 573963560 /nfs/dbraw/zinc/96/35/60/573963560.db2.gz UXKRHIRXFZXGDZ-YFKPBYRVSA-N 0 0 198.295 1.553 10 0 ADAERN CCn1nc(C=O)c2c1CC[C@H]2F 257922314 573963561 /nfs/dbraw/zinc/96/35/61/573963561.db2.gz RQNGPBSVOFRYII-ZCFIWIBFSA-N 0 0 182.198 1.672 10 0 ADAERN CC(C)(C)n1nc(NC2CC2)nc1N 87587025 573963581 /nfs/dbraw/zinc/96/35/81/573963581.db2.gz YXNAFDYOGFKDBF-UHFFFAOYSA-N 0 0 195.270 1.190 10 0 ADAERN CC(C)C1(C(=O)c2ncn(C)n2)CC1 714779948 573963619 /nfs/dbraw/zinc/96/36/19/573963619.db2.gz QBLUKKXWBSUBSI-UHFFFAOYSA-N 0 0 193.250 1.434 10 0 ADAERN COc1ccc(F)c([C@@H](C)CO)c1 258192076 573963645 /nfs/dbraw/zinc/96/36/45/573963645.db2.gz XOPLQFYOGPHAHB-ZETCQYMHSA-N 0 0 184.210 1.930 10 0 ADAERN CC(C)Nc1nc(N)n(C(C)(C)C)n1 87587028 573963646 /nfs/dbraw/zinc/96/36/46/573963646.db2.gz IDEDRBGANUHWDJ-UHFFFAOYSA-N 0 0 197.286 1.436 10 0 ADAERN CCC(CC)n1nc(NC)nc1N 87587152 573963652 /nfs/dbraw/zinc/96/36/52/573963652.db2.gz SQACVPDMMKLULG-UHFFFAOYSA-N 0 0 183.259 1.263 10 0 ADAERN CCC/C=C/[C@@H]1C[C@@H](O)C(=O)O1 238216023 573963667 /nfs/dbraw/zinc/96/36/67/573963667.db2.gz HLQPBOHIORZKLK-IVZJMYDKSA-N 0 0 170.208 1.019 10 0 ADAERN C[C@@H]1COC(c2ccc(C=O)cc2)=N1 257913220 573963677 /nfs/dbraw/zinc/96/36/77/573963677.db2.gz BATRGQCQZDRTBX-MRVPVSSYSA-N 0 0 189.214 1.664 10 0 ADAERN Cc1ccc(-n2nncc2N)cc1 257920200 573963688 /nfs/dbraw/zinc/96/36/88/573963688.db2.gz RIODMMHJTGTGCF-UHFFFAOYSA-N 0 0 174.207 1.158 10 0 ADAERN CC1(C)CCC[C@](C)(C(N)=O)O1 238217175 573963699 /nfs/dbraw/zinc/96/36/99/573963699.db2.gz CFWVMVLJTQOJKJ-SECBINFHSA-N 0 0 171.240 1.210 10 0 ADAERN CC1(C)CCC[C@](C)(C(N)=O)C1=O 238217163 573963725 /nfs/dbraw/zinc/96/37/25/573963725.db2.gz CSGKWRPFWACEHP-JTQLQIEISA-N 0 0 183.251 1.257 10 0 ADAERN CC(C)[C@H](O)[C@@H]1CCC=CO1 238217036 573963748 /nfs/dbraw/zinc/96/37/48/573963748.db2.gz ZESLVZOYFNFWAV-IUCAKERBSA-N 0 0 156.225 1.696 10 0 ADAERN CO[C@H](CCO)c1ccc(O)cc1 257920967 573963883 /nfs/dbraw/zinc/96/38/83/573963883.db2.gz RMJGVECTNZLRIE-SNVBAGLBSA-N 0 0 182.219 1.462 10 0 ADAERN CSc1nc(N)cc(=O)n1C(C)C 257920179 573963908 /nfs/dbraw/zinc/96/39/08/573963908.db2.gz YCFTYAQSABUJQY-UHFFFAOYSA-N 0 0 199.279 1.128 10 0 ADAERN CN(C)Cc1cc(C=O)ccc1F 257920865 573963992 /nfs/dbraw/zinc/96/39/92/573963992.db2.gz RKMXVEZWCWADLS-UHFFFAOYSA-N 0 0 181.210 1.700 10 0 ADAERN CC(C)n1nc(NC(C)(C)C)nc1N 87587084 573964001 /nfs/dbraw/zinc/96/40/01/573964001.db2.gz JKTDLAQZTWJMEK-UHFFFAOYSA-N 0 0 197.286 1.652 10 0 ADAERN CC1(C)CCN2C(=O)CC[C@H]2[C@H]1CO 238216276 573964023 /nfs/dbraw/zinc/96/40/23/573964023.db2.gz QSCQHZTZZLOQPG-BDAKNGLRSA-N 0 0 197.278 1.016 10 0 ADAERN Cc1cc(O)c([C@@H](C)CO)cc1F 258192018 573966145 /nfs/dbraw/zinc/96/61/45/573966145.db2.gz XNQKEQGHLHHFHI-ZETCQYMHSA-N 0 0 184.210 1.936 10 0 ADAERN CONCc1ccc2cnncc2c1 258192106 573966174 /nfs/dbraw/zinc/96/61/74/573966174.db2.gz XPHHBRXSVWFCNU-UHFFFAOYSA-N 0 0 189.218 1.281 10 0 ADAERN CCC(CC)=C(C)CC(N)=O 238219428 573966194 /nfs/dbraw/zinc/96/61/94/573966194.db2.gz BSEYSRMKXRAALZ-UHFFFAOYSA-N 0 0 155.241 1.998 10 0 ADAERN C/C=C\C[N@H+](C)C(C)(C)C(=O)[O-] 211786395 573966199 /nfs/dbraw/zinc/96/61/99/573966199.db2.gz NNAHVXLYNCLWFO-WAYWQWQTSA-N 0 0 171.240 1.358 10 0 ADAERN CC(=O)Cc1nc(C(C)C)c[nH]1 259029962 573966207 /nfs/dbraw/zinc/96/62/07/573966207.db2.gz GFVVXDPBHDOMLA-UHFFFAOYSA-N 0 0 166.224 1.665 10 0 ADAERN O[C@H](CC1CC1)c1cscn1 87589163 573965529 /nfs/dbraw/zinc/96/55/29/573965529.db2.gz ILTNBRRYLQCYDD-MRVPVSSYSA-N 0 0 169.249 1.977 10 0 ADAERN Nc1cnc(-c2cscn2)nc1 87588804 573966255 /nfs/dbraw/zinc/96/62/55/573966255.db2.gz JDZSWJNJQZLRCI-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN O[C@@H]1COC[C@@H]1CC1CCCC1 687968140 573965560 /nfs/dbraw/zinc/96/55/60/573965560.db2.gz XRVKOJRUXXXDHC-VHSXEESVSA-N 0 0 170.252 1.574 10 0 ADAERN C[C@H](O)c1ccccc1NC1COC1 87597364 573965564 /nfs/dbraw/zinc/96/55/64/573965564.db2.gz RMHZIAQEUBLDRO-QMMMGPOBSA-N 0 0 193.246 1.551 10 0 ADAERN C[C@H](CO)c1cc2c(cc1F)OCC2 258191902 573965578 /nfs/dbraw/zinc/96/55/78/573965578.db2.gz XLACTAJCUDXKOR-SSDOTTSWSA-N 0 0 196.221 1.856 10 0 ADAERN CN(c1ccc[nH]1)c1nnns1 259029636 573965594 /nfs/dbraw/zinc/96/55/94/573965594.db2.gz OROWVOPNZGJFKX-UHFFFAOYSA-N 0 0 181.224 1.029 10 0 ADAERN Cc1csc(N)c1C(=O)NC(C)C 104278166 573965600 /nfs/dbraw/zinc/96/56/00/573965600.db2.gz PXJOAKWLOMCGCE-UHFFFAOYSA-N 0 0 198.291 1.777 10 0 ADAERN CC1(C)CC[C@@]2(OCC[C@H]2O)O1 238219392 573966261 /nfs/dbraw/zinc/96/62/61/573966261.db2.gz NQOTYJLBIVHJJQ-VXNVDRBHSA-N 0 0 172.224 1.053 10 0 ADAERN OCc1csc(-c2cscn2)n1 87596558 573965607 /nfs/dbraw/zinc/96/56/07/573965607.db2.gz SGCSPPJQNSNSGL-UHFFFAOYSA-N 0 0 198.272 1.759 10 0 ADAERN Cc1ccc(F)c(O)c1C[C@H](C)O 258192030 573965637 /nfs/dbraw/zinc/96/56/37/573965637.db2.gz XNYADEUPTFBLJJ-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN O[C@@H](c1cccnc1)c1cscn1 87589291 573965639 /nfs/dbraw/zinc/96/56/39/573965639.db2.gz JQVVIUMVQYJFDR-VIFPVBQESA-N 0 0 192.243 1.620 10 0 ADAERN O=Cc1ccnc(-c2cscn2)n1 87596140 573965647 /nfs/dbraw/zinc/96/56/47/573965647.db2.gz CHDDREQLBUGAOS-UHFFFAOYSA-N 0 0 191.215 1.413 10 0 ADAERN N=C=C1N=C=C(Br)S1 642810687 573965669 /nfs/dbraw/zinc/96/56/69/573965669.db2.gz RUHJKLATJPUUMM-UHFFFAOYSA-N 0 0 189.037 1.729 10 0 ADAERN O[C@@H](c1cscn1)[C@H]1CCOC1 87589221 573965682 /nfs/dbraw/zinc/96/56/82/573965682.db2.gz YSLFQQHGNNHYSJ-POYBYMJQSA-N 0 0 185.248 1.213 10 0 ADAERN CC(C)/C=C/[N@@H+]1CCC[C@@H]1C(=O)[O-] 238218868 573965689 /nfs/dbraw/zinc/96/56/89/573965689.db2.gz VESYUDOIRSDUBB-VPIOIWJLSA-N 0 0 183.251 1.705 10 0 ADAERN OCCc1ccc(NC2COC2)cc1 87597358 573965700 /nfs/dbraw/zinc/96/57/00/573965700.db2.gz HTODNWKITYERGX-UHFFFAOYSA-N 0 0 193.246 1.032 10 0 ADAERN O[C@H](c1cccnc1)c1cscn1 87589292 573965741 /nfs/dbraw/zinc/96/57/41/573965741.db2.gz JQVVIUMVQYJFDR-SECBINFHSA-N 0 0 192.243 1.620 10 0 ADAERN CC(C)[C@@H](O)c1cscn1 87589082 573965774 /nfs/dbraw/zinc/96/57/74/573965774.db2.gz WVTXFKBGFZURTM-SSDOTTSWSA-N 0 0 157.238 1.833 10 0 ADAERN N=C(NC1CC1)c1cscn1 87596300 573965779 /nfs/dbraw/zinc/96/57/79/573965779.db2.gz DTGAKZOVNIRGTB-UHFFFAOYSA-N 0 0 167.237 1.220 10 0 ADAERN O=C(CC1CCCCC1)c1cn[nH]n1 87598611 573965786 /nfs/dbraw/zinc/96/57/86/573965786.db2.gz QGLULOBHYULBJY-UHFFFAOYSA-N 0 0 193.250 1.958 10 0 ADAERN Cc1cc(C(=O)c2cn[nH]n2)cs1 87598586 573965791 /nfs/dbraw/zinc/96/57/91/573965791.db2.gz OHTGHQGUDLPJAD-UHFFFAOYSA-N 0 0 193.231 1.406 10 0 ADAERN Nc1ccnc(-c2cscn2)n1 87595929 573965807 /nfs/dbraw/zinc/96/58/07/573965807.db2.gz ZBNGYCBRLKAGDS-UHFFFAOYSA-N 0 0 178.220 1.182 10 0 ADAERN CCC[C@@H](C(=O)OC)N(C)C1CC1 259028856 573965808 /nfs/dbraw/zinc/96/58/08/573965808.db2.gz JLELXDRHYKVECC-VIFPVBQESA-N 0 0 185.267 1.422 10 0 ADAERN CC(C)[C@H](O)[C@H]1O[C@@H]1C(C)C 238219672 573965809 /nfs/dbraw/zinc/96/58/09/573965809.db2.gz NQKUHMCAOBVHQC-DJLDLDEBSA-N 0 0 158.241 1.427 10 0 ADAERN OCc1cnc(-c2cscn2)s1 87596559 573965840 /nfs/dbraw/zinc/96/58/40/573965840.db2.gz YCFJFYKFMCYCLU-UHFFFAOYSA-N 0 0 198.272 1.759 10 0 ADAERN O[C@@H](c1cncnc1)c1cscn1 87589209 573965863 /nfs/dbraw/zinc/96/58/63/573965863.db2.gz LVNROZSYXJSCTN-QMMMGPOBSA-N 0 0 193.231 1.015 10 0 ADAERN c1cc(NC2COC2)c2n[nH]cc2c1 87597043 573965876 /nfs/dbraw/zinc/96/58/76/573965876.db2.gz OLDBACNLDHACKH-UHFFFAOYSA-N 0 0 189.218 1.374 10 0 ADAERN CC1(C)[C@H]2C(=O)[C@@](C)(F)C[C@H]21 238219194 573965889 /nfs/dbraw/zinc/96/58/89/573965889.db2.gz VAVPWLIZYMVDMK-KCRUCZTKSA-N 0 0 156.200 1.960 10 0 ADAERN CC1(C)CC[C@@]2(CO[C@@H](O)C2)O1 238219339 573965918 /nfs/dbraw/zinc/96/59/18/573965918.db2.gz UMDYMSLLYMQDDJ-VXNVDRBHSA-N 0 0 172.224 1.053 10 0 ADAERN CC1(C)CC[C@H](O)C2=COC[C@@H]21 238219951 573965929 /nfs/dbraw/zinc/96/59/29/573965929.db2.gz LTPGSIWVPQOTEW-IUCAKERBSA-N 0 0 168.236 1.698 10 0 ADAERN CC(C)[C@H](O)c1cscn1 87589081 573965936 /nfs/dbraw/zinc/96/59/36/573965936.db2.gz WVTXFKBGFZURTM-ZETCQYMHSA-N 0 0 157.238 1.833 10 0 ADAERN CCC/C=C1/C=CC(=O)O[C@@H]1CO 238218261 573965939 /nfs/dbraw/zinc/96/59/39/573965939.db2.gz OJJQZDHTRPLWDN-USYJTPIQSA-N 0 0 182.219 1.187 10 0 ADAERN O[C@H](CC1CCCC1)c1cn[nH]n1 87598924 573965968 /nfs/dbraw/zinc/96/59/68/573965968.db2.gz KWWGCGDPRKLKNU-SECBINFHSA-N 0 0 181.239 1.418 10 0 ADAERN N=C(c1cscn1)N1CCCC1 87596311 573965978 /nfs/dbraw/zinc/96/59/78/573965978.db2.gz TVYWHDOIFZUTGO-UHFFFAOYSA-N 0 0 181.264 1.564 10 0 ADAERN OCc1ccc2c(ccc3nccn32)c1 258190748 573965985 /nfs/dbraw/zinc/96/59/85/573965985.db2.gz VYQCFNCFPSYDHE-UHFFFAOYSA-N 0 0 198.225 1.980 10 0 ADAERN O[C@H](c1cncnc1)c1cscn1 87589210 573966266 /nfs/dbraw/zinc/96/62/66/573966266.db2.gz LVNROZSYXJSCTN-MRVPVSSYSA-N 0 0 193.231 1.015 10 0 ADAERN CC1(C)CC[C@@]2(CO[C@H](O)C2)O1 238219352 573965998 /nfs/dbraw/zinc/96/59/98/573965998.db2.gz UMDYMSLLYMQDDJ-IONNQARKSA-N 0 0 172.224 1.053 10 0 ADAERN Cc1ccsc1[C@@H](O)c1cn[nH]n1 87599254 573966009 /nfs/dbraw/zinc/96/60/09/573966009.db2.gz RCDKINUSYCAPRB-ZETCQYMHSA-N 0 0 195.247 1.256 10 0 ADAERN COC(=O)CCC(=O)c1nocc1C 259588269 573966037 /nfs/dbraw/zinc/96/60/37/573966037.db2.gz FUHVRRSBBJAQLA-UHFFFAOYSA-N 0 0 197.190 1.119 10 0 ADAERN CC1(C)CC[C@@H]2CC(=O)N[C@@]21C 238218196 573966061 /nfs/dbraw/zinc/96/60/61/573966061.db2.gz FVODVBZJEGFCQE-XCBNKYQSSA-N 0 0 167.252 1.701 10 0 ADAERN COC[C@@H](C)N(C)c1cccc(F)n1 42519987 573966072 /nfs/dbraw/zinc/96/60/72/573966072.db2.gz PWDKGUIDJJRFGP-MRVPVSSYSA-N 0 0 198.241 1.692 10 0 ADAERN O=C(c1cnccn1)c1cscn1 87589017 573966089 /nfs/dbraw/zinc/96/60/89/573966089.db2.gz GZHKCXVAMACWEC-UHFFFAOYSA-N 0 0 191.215 1.164 10 0 ADAERN O[C@@H](c1ccoc1)c1cscn1 87589249 573966094 /nfs/dbraw/zinc/96/60/94/573966094.db2.gz WAXUHQWJNFPTFK-QMMMGPOBSA-N 0 0 181.216 1.818 10 0 ADAERN CC(C)[C@H](O)[C@H]1CC12CC2 238219142 573966283 /nfs/dbraw/zinc/96/62/83/573966283.db2.gz GBLQZVPTSYYAIM-SFYZADRCSA-N 0 0 140.226 1.803 10 0 ADAERN Cc1cc2cc(NN)ccc2[nH]c1=O 259254843 573977035 /nfs/dbraw/zinc/97/70/35/573977035.db2.gz QWXWPSOKSGHJRO-UHFFFAOYSA-N 0 0 189.218 1.534 10 0 ADAERN Cc1n[nH]c(C)c1[C@H]1N[C@H](C)CS1 87603523 573977047 /nfs/dbraw/zinc/97/70/47/573977047.db2.gz GQSFBOQNDNMCBY-ANLVUFKYSA-N 0 0 197.307 1.750 10 0 ADAERN CC(C)Cc1ncc(C[C@@H](C)O)o1 258193737 573977055 /nfs/dbraw/zinc/97/70/55/573977055.db2.gz SSHZOCMMEJZLEK-MRVPVSSYSA-N 0 0 183.251 1.796 10 0 ADAERN CCC[C@@H]1O[C@@H]2CCCC[C@@H]2NC1=O 238221811 573977057 /nfs/dbraw/zinc/97/70/57/573977057.db2.gz RYTAZTRYVWFMDY-AEJSXWLSSA-N 0 0 197.278 1.613 10 0 ADAERN CC(C)[S@@](=O)C1=C(O)CCC1 81918759 573977064 /nfs/dbraw/zinc/97/70/64/573977064.db2.gz GVGOLHHPEWBZQH-KCJUWKMLSA-N 0 0 174.265 1.265 10 0 ADAERN OC1(c2ccc3c(c2F)CCO3)CC1 258194385 573977070 /nfs/dbraw/zinc/97/70/70/573977070.db2.gz XSUNCLZDDIOPGA-UHFFFAOYSA-N 0 0 194.205 1.742 10 0 ADAERN Cc1cc(C)c(C(=O)C(N)=O)cc1C 259254134 573977073 /nfs/dbraw/zinc/97/70/73/573977073.db2.gz WYMWRVOUEKOLNV-UHFFFAOYSA-N 0 0 191.230 1.280 10 0 ADAERN CNC(NC)c1ccccc1C 259253575 573977122 /nfs/dbraw/zinc/97/71/22/573977122.db2.gz HJAFXWUMWJRFJF-UHFFFAOYSA-N 0 0 164.252 1.432 10 0 ADAERN CC(C)[C@H](O)c1ccc(CO)cc1 238220774 573977159 /nfs/dbraw/zinc/97/71/59/573977159.db2.gz LMZZVCJJEMWWBM-NSHDSACASA-N 0 0 180.247 1.868 10 0 ADAERN COc1cccc(-c2ncc[nH]2)c1O 104401954 573976355 /nfs/dbraw/zinc/97/63/55/573976355.db2.gz YRUGORXBQITUKE-UHFFFAOYSA-N 0 0 190.202 1.791 10 0 ADAERN CC(C)([NH3+])CCc1n[n-]c(=S)o1 259255026 573976371 /nfs/dbraw/zinc/97/63/71/573976371.db2.gz QYRIPNDYHLYNHQ-UHFFFAOYSA-N 0 0 187.268 1.028 10 0 ADAERN Cc1ccsc1[C@@H](N)c1cn[nH]n1 87600330 573976372 /nfs/dbraw/zinc/97/63/72/573976372.db2.gz MGUHUMNPSBOHBV-ZETCQYMHSA-N 0 0 194.263 1.223 10 0 ADAERN CCC(=O)C[S@](=O)C(C)(C)C 81916010 573976402 /nfs/dbraw/zinc/97/64/02/573976402.db2.gz GTYIPYWTBSAVMR-LLVKDONJSA-N 0 0 176.281 1.513 10 0 ADAERN Cc1c(F)cc([C@@H](C)[NH3+])cc1C(=O)[O-] 258194300 573976409 /nfs/dbraw/zinc/97/64/09/573976409.db2.gz XRNRESRSXISFTC-ZCFIWIBFSA-N 0 0 197.209 1.852 10 0 ADAERN CCCCC(=S)NCCO 238230114 573976412 /nfs/dbraw/zinc/97/64/12/573976412.db2.gz BSIQRDOTBURYCK-UHFFFAOYSA-N 0 0 161.270 1.086 10 0 ADAERN CC(C)[C@H](C(=O)[O-])[C@H]([NH3+])c1ccc[nH]1 259254535 573976415 /nfs/dbraw/zinc/97/64/15/573976415.db2.gz GOHYZAFWQKVRFQ-DTWKUNHWSA-N 0 0 196.250 1.371 10 0 ADAERN CC(C)[N@H+](CC1CC1)[C@@H](C)CC(=O)[O-] 42585912 573976464 /nfs/dbraw/zinc/97/64/64/573976464.db2.gz YZDNOXKCCNVUMF-VIFPVBQESA-N 0 0 199.294 1.970 10 0 ADAERN Cc1cc(C)c([C@H](N)NN)c(C)c1 259254555 573976506 /nfs/dbraw/zinc/97/65/06/573976506.db2.gz GOLIIGBBYZKEMV-SNVBAGLBSA-N 0 0 179.267 1.032 10 0 ADAERN CCC[C@@H](CO)[C@@H](C)CO 81948694 573976513 /nfs/dbraw/zinc/97/65/13/573976513.db2.gz VKYYRXODWWYJHR-YUMQZZPRSA-N 0 0 146.230 1.023 10 0 ADAERN CC[C@H]1CC[C@@](C[NH3+])(CC(=O)[O-])C1 45339646 573976547 /nfs/dbraw/zinc/97/65/47/573976547.db2.gz JUNVYYPZXPVIAH-WPRPVWTQSA-N 0 0 185.267 1.616 10 0 in-vivo ADAERN CC[C@H](O)C[C@H](O)C(C)(C)C 81949958 573976552 /nfs/dbraw/zinc/97/65/52/573976552.db2.gz YELMYILCQYAKNF-YUMQZZPRSA-N 0 0 160.257 1.554 10 0 ADAERN C/C(C(=O)[O-])=C1/CC[N@@H+]2CCC[C@@H]12 123282600 573976553 /nfs/dbraw/zinc/97/65/53/573976553.db2.gz FONSSRGTIIBHID-FLOXNTQESA-N 0 0 181.235 1.256 10 0 ADAERN O[C@@H](c1cn[nH]n1)C1CCCC1 87599540 573976559 /nfs/dbraw/zinc/97/65/59/573976559.db2.gz AYPZFWUNRKBECO-MRVPVSSYSA-N 0 0 167.212 1.028 10 0 ADAERN CC(=O)[C@H](C)[S@@](=O)C1CCCC1 81919249 573976575 /nfs/dbraw/zinc/97/65/75/573976575.db2.gz 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573984101 /nfs/dbraw/zinc/98/41/01/573984101.db2.gz UXCFOODULRZHMV-RNFRBKRXSA-N 0 0 191.296 1.191 10 0 ADAERN C[C@@H]([NH3+])C1(CC(=O)[O-])CCCC1 85116256 573984124 /nfs/dbraw/zinc/98/41/24/573984124.db2.gz LKKBXNOYEKOTTF-SSDOTTSWSA-N 0 0 171.240 1.369 10 0 ADAERN CN(C)c1ccc([C@H]2COCCN2)o1 104451984 573984146 /nfs/dbraw/zinc/98/41/46/573984146.db2.gz JNUJAEIOIOBJNK-MRVPVSSYSA-N 0 0 196.250 1.007 10 0 ADAERN CC[C@@H](C)SC[C@H](N)C(=O)OC 45554001 573984147 /nfs/dbraw/zinc/98/41/47/573984147.db2.gz XQDNCJSUDYBINM-RQJHMYQMSA-N 0 0 191.296 1.018 10 0 ADAERN CCCCC1=NOC(C)(C)C(=O)N1 82095290 573984175 /nfs/dbraw/zinc/98/41/75/573984175.db2.gz MZBVJBPPONQHTO-UHFFFAOYSA-N 0 0 184.239 1.415 10 0 ADAERN CC[NH2+][C@@](C)(CSCC)C(=O)[O-] 45553334 573984181 /nfs/dbraw/zinc/98/41/81/573984181.db2.gz LUVUYQRCWGZGTH-QMMMGPOBSA-N 0 0 191.296 1.192 10 0 ADAERN CC[C@H](CC(=O)[O-])[N@H+](C)C1CCC1 127973584 573984198 /nfs/dbraw/zinc/98/41/98/573984198.db2.gz WKQZLHHVFOCXSJ-MRVPVSSYSA-N 0 0 185.267 1.724 10 0 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45554448 573985139 /nfs/dbraw/zinc/98/51/39/573985139.db2.gz FGOAYDMOCRJDJW-MRVPVSSYSA-N 0 0 191.296 1.192 10 0 ADAERN CCC(CC)N(C)C=O 82042057 573985154 /nfs/dbraw/zinc/98/51/54/573985154.db2.gz TWIKDINBSUFQAT-UHFFFAOYSA-N 0 0 129.203 1.263 10 0 ADAERN CC[C@@H]([NH3+])C(C)(C)CC(=O)[O-] 85117271 573985161 /nfs/dbraw/zinc/98/51/61/573985161.db2.gz ZVMDKNNRMURLTG-ZCFIWIBFSA-N 0 0 159.229 1.225 10 0 ADAERN CC(C)[C@@H](C(N)=O)C1CCCC1 238225609 573985177 /nfs/dbraw/zinc/98/51/77/573985177.db2.gz KVBCEPCTVLLXPD-SECBINFHSA-N 0 0 169.268 1.934 10 0 ADAERN CCCSC[C@H]([NH2+]CC)C(=O)[O-] 45554619 573985193 /nfs/dbraw/zinc/98/51/93/573985193.db2.gz DQSGWHGYYFCIDZ-ZETCQYMHSA-N 0 0 191.296 1.192 10 0 ADAERN CCC1(CC)CCC(=O)C[C@H]1O 238224390 573985200 /nfs/dbraw/zinc/98/52/00/573985200.db2.gz ZMPUAAMSENHTBD-SECBINFHSA-N 0 0 170.252 1.907 10 0 ADAERN CC[C@H](CC(=O)[O-])C(C)(C)[NH3+] 85118309 573985218 /nfs/dbraw/zinc/98/52/18/573985218.db2.gz XXMFUZWVIIOBFY-ZCFIWIBFSA-N 0 0 159.229 1.225 10 0 ADAERN 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127978218 573985528 /nfs/dbraw/zinc/98/55/28/573985528.db2.gz FGHOZTVRYCREHQ-ZETCQYMHSA-N 0 0 156.225 1.781 10 0 ADAERN CCC[C@@H](C)OCCO 82048029 573985532 /nfs/dbraw/zinc/98/55/32/573985532.db2.gz OJJUCAQFBVCYIW-SSDOTTSWSA-N 0 0 132.203 1.184 10 0 ADAERN CC/C=C1/CC(C)(C)NC1=O 238225375 573985545 /nfs/dbraw/zinc/98/55/45/573985545.db2.gz CHCUIGWVVCKGQI-ALCCZGGFSA-N 0 0 153.225 1.621 10 0 ADAERN C[NH2+][C@H](CSC(C)(C)C)C(=O)[O-] 45554337 573985572 /nfs/dbraw/zinc/98/55/72/573985572.db2.gz XXOAZRPMVOFKNC-ZCFIWIBFSA-N 0 0 191.296 1.191 10 0 ADAERN C[C@H]([NH3+])C1(CC(=O)[O-])CCCCC1 85116262 573985578 /nfs/dbraw/zinc/98/55/78/573985578.db2.gz VQNOAMOOGBCFFS-QMMMGPOBSA-N 0 0 185.267 1.759 10 0 ADAERN C[NH2+][C@@H](CSCC(C)C)C(=O)[O-] 45547832 573985595 /nfs/dbraw/zinc/98/55/95/573985595.db2.gz WZBVWIPBYVCIQI-ZETCQYMHSA-N 0 0 191.296 1.048 10 0 ADAERN CC1(C)CN=C(c2cccc(O)c2)O1 238224739 573985601 /nfs/dbraw/zinc/98/56/01/573985601.db2.gz IUUHMZBQTQKGKF-UHFFFAOYSA-N 0 0 191.230 1.948 10 0 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/nfs/dbraw/zinc/00/56/57/574005657.db2.gz FTFXZAWGYSLMFM-JGVFFNPUSA-N 0 0 185.223 1.054 10 0 ADAERN Cc1csc([C@](C)([NH3+])C(=O)[O-])c1 104486494 574005675 /nfs/dbraw/zinc/00/56/75/574005675.db2.gz SPSMLNHSFATMGL-QMMMGPOBSA-N 0 0 185.248 1.315 10 0 ADAERN CCCC1=NC(=O)C2=NC=NC2=C1 238240285 574005676 /nfs/dbraw/zinc/00/56/76/574005676.db2.gz BFAAKNTVDKUVKM-UHFFFAOYSA-N 0 0 175.191 1.135 10 0 ADAERN CC(C)(C(=O)[O-])[C@@H]([NH3+])c1ccsc1 104489256 574005679 /nfs/dbraw/zinc/00/56/79/574005679.db2.gz WWNJEFUXFCFFQK-ZETCQYMHSA-N 0 0 199.275 1.859 10 0 ADAERN CC(=O)c1noc(Cc2ccco2)n1 258199639 574005682 /nfs/dbraw/zinc/00/56/82/574005682.db2.gz ZEOBADDPRIHXEA-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN Cc1onc(C(=O)N2CCCC2)c1C 82300621 574005685 /nfs/dbraw/zinc/00/56/85/574005685.db2.gz FIZYALQFHNXKNB-UHFFFAOYSA-N 0 0 194.234 1.527 10 0 ADAERN CCc1cc(O)ccc1[C@H]([NH3+])C(=O)[O-] 104485183 574005693 /nfs/dbraw/zinc/00/56/93/574005693.db2.gz WXXKSXJIYXUQGB-VIFPVBQESA-N 0 0 195.218 1.039 10 0 ADAERN COc1cc(F)c(CCO)cc1O 258201062 574005744 /nfs/dbraw/zinc/00/57/44/574005744.db2.gz YJEFCASGDWYEQH-UHFFFAOYSA-N 0 0 186.182 1.075 10 0 ADAERN O=C(CC1=NCCO1)c1ccccc1 259270934 574005758 /nfs/dbraw/zinc/00/57/58/574005758.db2.gz QXKRZAUTBFRFTI-UHFFFAOYSA-N 0 0 189.214 1.688 10 0 ADAERN CC(C)n1cncc1[C@@H](O)C1CC1 85188994 574005765 /nfs/dbraw/zinc/00/57/65/574005765.db2.gz VCOWNUNPHQDAFH-JTQLQIEISA-N 0 0 180.251 1.907 10 0 ADAERN CC1=CC[C@]23C(=O)[C@]12C3(C)C 238245573 574005785 /nfs/dbraw/zinc/00/57/85/574005785.db2.gz ZUNCQOXBLBPXCR-ZJUUUORDSA-N 0 0 148.205 1.932 10 0 ADAERN Cc1cnc(N2CCC(F)(F)C2)cn1 585380036 574005786 /nfs/dbraw/zinc/00/57/86/574005786.db2.gz HWPBSGPUFYTZPH-UHFFFAOYSA-N 0 0 199.204 1.630 10 0 ADAERN Cc1nc(F)ccc1[C@H]([NH3+])CC(=O)[O-] 104485905 574005787 /nfs/dbraw/zinc/00/57/87/574005787.db2.gz CKMLVWPUPBSUGV-SSDOTTSWSA-N 0 0 198.197 1.004 10 0 ADAERN CCn1cncc1-c1nsc(N)n1 85183355 574005795 /nfs/dbraw/zinc/00/57/95/574005795.db2.gz BDPLGYSPIZISOW-UHFFFAOYSA-N 0 0 195.251 1.004 10 0 ADAERN NOCc1ccccc1[C@H]1CCOC1 258201014 574005799 /nfs/dbraw/zinc/00/57/99/574005799.db2.gz YHMZFEJVLZSMEP-JTQLQIEISA-N 0 0 193.246 1.581 10 0 ADAERN Cc1cc(N2CC(CF)C2)nnc1C 585381112 574005801 /nfs/dbraw/zinc/00/58/01/574005801.db2.gz FWZDBJQXOXBAHR-UHFFFAOYSA-N 0 0 195.241 1.499 10 0 ADAERN COCc1ccc(F)c(CO)c1F 258201002 574005814 /nfs/dbraw/zinc/00/58/14/574005814.db2.gz YHFPNQRNLMZXAA-UHFFFAOYSA-N 0 0 188.173 1.604 10 0 ADAERN C=Cc1ccc(OCC)nc1N 209778070 574005818 /nfs/dbraw/zinc/00/58/18/574005818.db2.gz VJGBAUFSTCWYQA-UHFFFAOYSA-N 0 0 164.208 1.706 10 0 ADAERN FC1(F)CN(c2nccs2)C1 585379721 574005822 /nfs/dbraw/zinc/00/58/22/574005822.db2.gz BJUYZMJPGKCPJA-UHFFFAOYSA-N 0 0 176.191 1.598 10 0 ADAERN Cc1cc(C2(O)CC2)c(F)cc1O 258201077 574005838 /nfs/dbraw/zinc/00/58/38/574005838.db2.gz YJMBEBVOMDDEAA-UHFFFAOYSA-N 0 0 182.194 1.821 10 0 ADAERN CCn1cncc1[C@@H]1C[C@H]1C(C)=O 85183315 574005845 /nfs/dbraw/zinc/00/58/45/574005845.db2.gz LHJOBFMERHEEHD-DTWKUNHWSA-N 0 0 178.235 1.596 10 0 ADAERN CC(C)C1=CN=C(Cl)S1(=O)=O 258524036 574005849 /nfs/dbraw/zinc/00/58/49/574005849.db2.gz LWFWSZYOSZTIAL-UHFFFAOYSA-N 0 0 193.655 1.507 10 0 ADAERN C[C@@]1(O)CCc2cc(N)ccc21 87654514 574005861 /nfs/dbraw/zinc/00/58/61/574005861.db2.gz KNXRUPOEXFMDHC-SNVBAGLBSA-N 0 0 163.220 1.423 10 0 ADAERN Cc1nn2c(C)cnc2s1 223723028 574005875 /nfs/dbraw/zinc/00/58/75/574005875.db2.gz XMMOCHLWOSYCHT-UHFFFAOYSA-N 0 0 153.210 1.408 10 0 ADAERN COC(=O)c1cnc(C2(C)CC2)s1 87664800 574005882 /nfs/dbraw/zinc/00/58/82/574005882.db2.gz QZPRZRFCNBYAPH-UHFFFAOYSA-N 0 0 197.259 1.981 10 0 ADAERN CC(=O)[C@@H](N)c1ccc2[nH]ccc2c1 104486826 574005887 /nfs/dbraw/zinc/00/58/87/574005887.db2.gz TUSJACZMXHHQQP-LLVKDONJSA-N 0 0 188.230 1.757 10 0 ADAERN CC1(C)C[C@@H](O)[C@H](O)C(C)(C)C1 238239825 574005904 /nfs/dbraw/zinc/00/59/04/574005904.db2.gz XTXNUTPAJGFLTE-SFYZADRCSA-N 0 0 172.268 1.554 10 0 ADAERN O=C1N[C@H](C[C@H]2CCCCO2)CO1 258199040 574005906 /nfs/dbraw/zinc/00/59/06/574005906.db2.gz FTFXZAWGYSLMFM-HTQZYQBOSA-N 0 0 185.223 1.054 10 0 ADAERN CC[C@H](C)OC(=O)[C@H]1CCCCN1 48265475 574005927 /nfs/dbraw/zinc/00/59/27/574005927.db2.gz SXJAFBREGOXRND-DTWKUNHWSA-N 0 0 185.267 1.470 10 0 ADAERN C=Cc1cc(CC)c(N)cn1 209769963 574005948 /nfs/dbraw/zinc/00/59/48/574005948.db2.gz CKPQHHVMPIBYTA-UHFFFAOYSA-N 0 0 148.209 1.869 10 0 ADAERN FC1(F)CN(Cc2ccco2)C1 585379844 574005958 /nfs/dbraw/zinc/00/59/58/574005958.db2.gz DOAIISXASOROHS-UHFFFAOYSA-N 0 0 173.162 1.731 10 0 ADAERN CN1CC[C@@H](c2csc(C=O)n2)C1 259271351 574005963 /nfs/dbraw/zinc/00/59/63/574005963.db2.gz OVMKRAFBBPCANS-SSDOTTSWSA-N 0 0 196.275 1.375 10 0 ADAERN C[C@]([NH3+])(C(=O)[O-])c1ccc(Cl)o1 104487022 574005967 /nfs/dbraw/zinc/00/59/67/574005967.db2.gz QWNTTYQUBWBRRJ-SSDOTTSWSA-N 0 0 189.598 1.192 10 0 ADAERN CCC(=O)c1cccc(C=O)c1O 238245491 574005996 /nfs/dbraw/zinc/00/59/96/574005996.db2.gz LNEAPIMQYSWIIK-UHFFFAOYSA-N 0 0 178.187 1.797 10 0 ADAERN CCCCN(C)C(=O)c1oncc1C 82317911 574006008 /nfs/dbraw/zinc/00/60/08/574006008.db2.gz WRAMHWYYRIGSPU-UHFFFAOYSA-N 0 0 196.250 1.855 10 0 ADAERN CC(C)c1ccc(N)cc(O)c1=O 238239913 574008014 /nfs/dbraw/zinc/00/80/14/574008014.db2.gz APMOHZBUDNVFQF-UHFFFAOYSA-N 0 0 179.219 1.458 10 0 ADAERN CC[C@@H](CC(=O)[O-])[NH+]1CC(C(C)C)C1 128033471 574008016 /nfs/dbraw/zinc/00/80/16/574008016.db2.gz QESRGGQCKRQKSJ-JTQLQIEISA-N 0 0 199.294 1.828 10 0 ADAERN CC1(C)C[C@@H](O)C[C@](C)(Cl)C1=O 238239259 574008024 /nfs/dbraw/zinc/00/80/24/574008024.db2.gz CPPNVAVUXAALJZ-MUWHJKNJSA-N 0 0 190.670 1.734 10 0 ADAERN CC(C)n1cncc1/C=C/[N+](=O)[O-] 85188058 574008027 /nfs/dbraw/zinc/00/80/27/574008027.db2.gz HOWDESAPNLWXPQ-ONEGZZNKSA-N 0 0 181.195 1.711 10 0 ADAERN C[C@@H](O)c1ccccc1OC1COC1 258203274 574008031 /nfs/dbraw/zinc/00/80/31/574008031.db2.gz YQJRISYVLBYTIT-MRVPVSSYSA-N 0 0 194.230 1.518 10 0 ADAERN CC=C=C(C)CCO 238240346 574008053 /nfs/dbraw/zinc/00/80/53/574008053.db2.gz MWKTUFMICHAANY-UHFFFAOYSA-N 0 0 112.172 1.490 10 0 ADAERN Cc1cc([C@](C)([NH3+])C(=O)[O-])sc1C 104491003 574008059 /nfs/dbraw/zinc/00/80/59/574008059.db2.gz TWKKVDAEVPFUGF-VIFPVBQESA-N 0 0 199.275 1.623 10 0 ADAERN FCC1CN(c2nccs2)C1 585380858 574008061 /nfs/dbraw/zinc/00/80/61/574008061.db2.gz AVNRAMRNDZPQHT-UHFFFAOYSA-N 0 0 172.228 1.549 10 0 ADAERN Cc1noc2cccc(CCON)c12 258203155 574008069 /nfs/dbraw/zinc/00/80/69/574008069.db2.gz YOXKUZDPWYWXFQ-UHFFFAOYSA-N 0 0 192.218 1.569 10 0 ADAERN C[C@@H]1CNc2c(O)cccc2OC1 259272653 574008081 /nfs/dbraw/zinc/00/80/81/574008081.db2.gz PCDOSCVCBKLPAD-SSDOTTSWSA-N 0 0 179.219 1.833 10 0 ADAERN CC[C@H](CC(=O)[O-])[N@@H+]1CC[C@@H]1C 128034709 574008089 /nfs/dbraw/zinc/00/80/89/574008089.db2.gz IGHCFYYBGXWPLS-JGVFFNPUSA-N 0 0 171.240 1.334 10 0 ADAERN CN[C@@H](NN)c1ccc(C)c(C)c1C 259272488 574008110 /nfs/dbraw/zinc/00/81/10/574008110.db2.gz OVJSYXXWGFMHDO-NSHDSACASA-N 0 0 193.294 1.293 10 0 ADAERN O=C(NCc1ccco1)c1cnoc1 82304836 574007591 /nfs/dbraw/zinc/00/75/91/574007591.db2.gz QVMCJHZWNISDQA-UHFFFAOYSA-N 0 0 192.174 1.198 10 0 ADAERN Cc1c([C@H]2CC[NH2+]2)csc1C(=O)[O-] 104490587 574007593 /nfs/dbraw/zinc/00/75/93/574007593.db2.gz SLAFHKRIIQKFEW-SSDOTTSWSA-N 0 0 197.259 1.789 10 0 ADAERN Nc1cnccc1[C@@H](N)C(F)(F)F 104490087 574007609 /nfs/dbraw/zinc/00/76/09/574007609.db2.gz LVVNFBLVCFZRJT-ZCFIWIBFSA-N 0 0 191.156 1.226 10 0 ADAERN Cc1ccsc1[C@](C)([NH3+])C(=O)[O-] 104491240 574007662 /nfs/dbraw/zinc/00/76/62/574007662.db2.gz LEQQWXNSFSVFGF-QMMMGPOBSA-N 0 0 185.248 1.315 10 0 ADAERN CCCn1cncc1[C@@H]1COC(=O)N1 85187601 574007664 /nfs/dbraw/zinc/00/76/64/574007664.db2.gz GYXDFDILPDWPFH-ZETCQYMHSA-N 0 0 195.222 1.074 10 0 ADAERN FC1(F)CN(c2ccccn2)C1 585380674 574007665 /nfs/dbraw/zinc/00/76/65/574007665.db2.gz SOGNXXAEODSVJH-UHFFFAOYSA-N 0 0 170.162 1.537 10 0 ADAERN CC1(C)C[C@@H](O)[C@@H](CO)C(C)(C)C1 238239517 574007676 /nfs/dbraw/zinc/00/76/76/574007676.db2.gz FKTHUHHTKHXWTO-RKDXNWHRSA-N 0 0 186.295 1.802 10 0 ADAERN CCC1([C@@H]2OC(=N)NC2=O)CCC1 686130265 574007679 /nfs/dbraw/zinc/00/76/79/574007679.db2.gz POCOFPIQZYXZAR-ZCFIWIBFSA-N 0 0 182.223 1.016 10 0 ADAERN CCn1cncc1[C@H](O)C(F)(F)F 85185368 574007695 /nfs/dbraw/zinc/00/76/95/574007695.db2.gz UNMPZONOEZFEMP-LURJTMIESA-N 0 0 194.156 1.499 10 0 ADAERN CCCCn1c(=O)c(N)c(C)n1CC 48611141 574007704 /nfs/dbraw/zinc/00/77/04/574007704.db2.gz GMSRLBJFNKSPBB-UHFFFAOYSA-N 0 0 197.282 1.360 10 0 ADAERN Cc1c(F)cccc1[C@](C)([NH3+])C(=O)[O-] 104492041 574007708 /nfs/dbraw/zinc/00/77/08/574007708.db2.gz BDWNSYHAUVGTHK-JTQLQIEISA-N 0 0 197.209 1.393 10 0 ADAERN c1cc(NC[C@H]2CCCS2)ncn1 87669640 574007770 /nfs/dbraw/zinc/00/77/70/574007770.db2.gz DDUNHPJGKTUYTH-MRVPVSSYSA-N 0 0 195.291 1.784 10 0 ADAERN CCCCC1=C(C)[C@H](O)C12OCCO2 238239231 574007772 /nfs/dbraw/zinc/00/77/72/574007772.db2.gz DDPWMQLYCXORJT-JTQLQIEISA-N 0 0 198.262 1.611 10 0 ADAERN CCC[C@@H]1CCC(=O)CC1=O 111334403 574007774 /nfs/dbraw/zinc/00/77/74/574007774.db2.gz WWLVJBISOZBFCG-SSDOTTSWSA-N 0 0 154.209 1.725 10 0 ADAERN CCC1=NC(=S)NC(C)(C)C1 238239723 574007776 /nfs/dbraw/zinc/00/77/76/574007776.db2.gz IGIRTGYZMLYREX-UHFFFAOYSA-N 0 0 170.281 1.948 10 0 ADAERN C=Cc1ccccc1[C@@](C)([NH3+])C(=O)[O-] 104491962 574007817 /nfs/dbraw/zinc/00/78/17/574007817.db2.gz NAYGWDGJIAALEW-LLVKDONJSA-N 0 0 191.230 1.588 10 0 ADAERN CCCSc1cnc(=O)[nH]c1 238239744 574007824 /nfs/dbraw/zinc/00/78/24/574007824.db2.gz JRFIOUFMIGXEPX-UHFFFAOYSA-N 0 0 170.237 1.272 10 0 ADAERN O=C1CCc2cc3c(cc21)COC3=O 104491584 574007826 /nfs/dbraw/zinc/00/78/26/574007826.db2.gz CIGYBUJLKRZBSF-UHFFFAOYSA-N 0 0 188.182 1.486 10 0 ADAERN Nc1cnccc1[C@H](N)C(F)(F)F 104490080 574007843 /nfs/dbraw/zinc/00/78/43/574007843.db2.gz LVVNFBLVCFZRJT-LURJTMIESA-N 0 0 191.156 1.226 10 0 ADAERN CC[C@H](CC(=O)[O-])[NH+]1CC(C(C)C)C1 128033684 574007848 /nfs/dbraw/zinc/00/78/48/574007848.db2.gz QESRGGQCKRQKSJ-SNVBAGLBSA-N 0 0 199.294 1.828 10 0 ADAERN CC1(C)C[C@H](O)[C@@H](C2OCCO2)C1 238240047 574007851 /nfs/dbraw/zinc/00/78/51/574007851.db2.gz FNDNDLQNISZSKZ-YUMQZZPRSA-N 0 0 186.251 1.156 10 0 ADAERN CCCCC1=CCOC(=O)[C@H]1O 238240401 574007890 /nfs/dbraw/zinc/00/78/90/574007890.db2.gz VMYVSZGRIWHCPZ-QMMMGPOBSA-N 0 0 170.208 1.021 10 0 ADAERN CN[C@H](NN)c1ccc(C)c(C)c1C 259272485 574007925 /nfs/dbraw/zinc/00/79/25/574007925.db2.gz OVJSYXXWGFMHDO-LLVKDONJSA-N 0 0 193.294 1.293 10 0 ADAERN c1ncn(C2CC2)c1[C@H]1NCCS1 85189987 574007944 /nfs/dbraw/zinc/00/79/44/574007944.db2.gz WEGMSIKLXVCSCU-VIFPVBQESA-N 0 0 195.291 1.553 10 0 ADAERN NCc1nnc([C@@H]2CCCCS2)o1 87682239 574008645 /nfs/dbraw/zinc/00/86/45/574008645.db2.gz HHKPTRNXDXZWCK-LURJTMIESA-N 0 0 199.279 1.487 10 0 ADAERN CC(C)n1cncc1[C@H]1CNC(=O)O1 85189479 574008676 /nfs/dbraw/zinc/00/86/76/574008676.db2.gz NXTYAKKUPDSJKN-MRVPVSSYSA-N 0 0 195.222 1.245 10 0 ADAERN CCOC(=O)C1=C(N)OCC(C)(C)C1 238246449 574008678 /nfs/dbraw/zinc/00/86/78/574008678.db2.gz YBCOZSYRGVAMMU-UHFFFAOYSA-N 0 0 199.250 1.166 10 0 ADAERN CCCNC(=O)NC(=O)c1ccco1 82339850 574008709 /nfs/dbraw/zinc/00/87/09/574008709.db2.gz WGRPOPAOXJISEO-UHFFFAOYSA-N 0 0 196.206 1.129 10 0 ADAERN CCCn1cncc1[C@@H]1NCCS1 85186347 574008712 /nfs/dbraw/zinc/00/87/12/574008712.db2.gz GSCNOPCAWFWHFO-SECBINFHSA-N 0 0 197.307 1.628 10 0 ADAERN C[C@H]1Cc2c(CON)cccc2O1 258204169 574008714 /nfs/dbraw/zinc/00/87/14/574008714.db2.gz UTVGVFOTNRTFNY-ZETCQYMHSA-N 0 0 179.219 1.400 10 0 ADAERN O=C1CCN(C[C@@H]2CCCS2)C1 87669446 574008726 /nfs/dbraw/zinc/00/87/26/574008726.db2.gz AHIYVONSSOVSRT-VIFPVBQESA-N 0 0 185.292 1.157 10 0 ADAERN CONCc1cccc2cnncc12 258201123 574008734 /nfs/dbraw/zinc/00/87/34/574008734.db2.gz YKXWIAGIRNQBQT-UHFFFAOYSA-N 0 0 189.218 1.281 10 0 ADAERN O=Cc1cc(C[C@H]2CCSC2)[nH]n1 259272862 574008736 /nfs/dbraw/zinc/00/87/36/574008736.db2.gz PDQKZGMOZHGMBN-SSDOTTSWSA-N 0 0 196.275 1.518 10 0 ADAERN Cc1ccc(O[C@@H]2COC[C@@H]2O)cc1 687951539 574008746 /nfs/dbraw/zinc/00/87/46/574008746.db2.gz AGTDTXSOJMDCLS-WDEREUQCSA-N 0 0 194.230 1.134 10 0 ADAERN CC1=C(C)C[C@@H]2NC(=O)C[C@@H]2C1 238246150 574008757 /nfs/dbraw/zinc/00/87/57/574008757.db2.gz DBNAPQHGKFKKNO-IUCAKERBSA-N 0 0 165.236 1.621 10 0 ADAERN COc1c(C)ccc(C(=O)CN)c1C 258201148 574008141 /nfs/dbraw/zinc/00/81/41/574008141.db2.gz YLXIMNCZEBMBNV-UHFFFAOYSA-N 0 0 193.246 1.453 10 0 ADAERN CC1C[NH+](CCC[C@H](C)C(=O)[O-])C1 128031476 574008180 /nfs/dbraw/zinc/00/81/80/574008180.db2.gz CKSJCDNKXFYRGJ-VIFPVBQESA-N 0 0 185.267 1.439 10 0 ADAERN Cc1ccsc1[C@@](C)([NH3+])C(=O)[O-] 104491243 574008220 /nfs/dbraw/zinc/00/82/20/574008220.db2.gz LEQQWXNSFSVFGF-MRVPVSSYSA-N 0 0 185.248 1.315 10 0 ADAERN OC1(Cc2cccc3c2OCC3)CC1 258203377 574008237 /nfs/dbraw/zinc/00/82/37/574008237.db2.gz YRMBJBLRWDMCRO-UHFFFAOYSA-N 0 0 190.242 1.689 10 0 ADAERN CC1C[NH+](CCC[C@@H](C)C(=O)[O-])C1 128031280 574008243 /nfs/dbraw/zinc/00/82/43/574008243.db2.gz CKSJCDNKXFYRGJ-SECBINFHSA-N 0 0 185.267 1.439 10 0 ADAERN CCn1cncc1[C@H](O)C(C)C 85185051 574008257 /nfs/dbraw/zinc/00/82/57/574008257.db2.gz RMJFLATVXJBOJP-SECBINFHSA-N 0 0 168.240 1.592 10 0 ADAERN C[C@H](CC[NH3+])c1cc([O-])ccc1C=O 258203133 574008306 /nfs/dbraw/zinc/00/83/06/574008306.db2.gz YOPKYGHGHXHHHI-MRVPVSSYSA-N 0 0 193.246 1.657 10 0 ADAERN CCn1cncc1[C@H]1C[C@@H](O)CCO1 85185568 574008308 /nfs/dbraw/zinc/00/83/08/574008308.db2.gz JIGHSQMTCDZOFB-WCBMZHEXSA-N 0 0 196.250 1.115 10 0 ADAERN CC(=O)[C@H]1C[C@H]1c1cncn1C1CC1 85189760 574008319 /nfs/dbraw/zinc/00/83/19/574008319.db2.gz MNJBVIBHPMQCME-NXEZZACHSA-N 0 0 190.246 1.911 10 0 ADAERN COCc1cccc(C(=O)CN)c1F 258201183 574008324 /nfs/dbraw/zinc/00/83/24/574008324.db2.gz YMVYNJCXJZNFOJ-UHFFFAOYSA-N 0 0 197.209 1.114 10 0 ADAERN Nc1ccc([C@H](N)C(F)(F)F)nc1 104490097 574008328 /nfs/dbraw/zinc/00/83/28/574008328.db2.gz FCIGTSCRZSZONH-LURJTMIESA-N 0 0 191.156 1.226 10 0 ADAERN CCn1cncc1[C@H](O)C1CC1 85185150 574008339 /nfs/dbraw/zinc/00/83/39/574008339.db2.gz XNNFHUXCKVTKHE-SECBINFHSA-N 0 0 166.224 1.346 10 0 ADAERN [NH3+]CC1(c2cccc(C(=O)[O-])c2)CC1 259273612 574008340 /nfs/dbraw/zinc/00/83/40/574008340.db2.gz BJJANTYXJKBHLP-UHFFFAOYSA-N 0 0 191.230 1.375 10 0 ADAERN OCC[C@@H]1COc2cccc(O)c21 258202136 574008343 /nfs/dbraw/zinc/00/83/43/574008343.db2.gz UPZWEOUCLNQMNB-SSDOTTSWSA-N 0 0 180.203 1.251 10 0 ADAERN CCn1cncc1CNc1cn[nH]c1 85183151 574008365 /nfs/dbraw/zinc/00/83/65/574008365.db2.gz WXTYTFKQFQZVNE-UHFFFAOYSA-N 0 0 191.238 1.238 10 0 ADAERN CC[C@@H](CC(=O)[O-])[NH+]1CC2(CCC2)C1 128031987 574008374 /nfs/dbraw/zinc/00/83/74/574008374.db2.gz XIJJXHXHUZMBCY-VIFPVBQESA-N 0 0 197.278 1.726 10 0 ADAERN CCn1cncc1[C@@H]1NCCS1 85183693 574008408 /nfs/dbraw/zinc/00/84/08/574008408.db2.gz YHRJVHGTMVBWIN-MRVPVSSYSA-N 0 0 183.280 1.238 10 0 ADAERN Cc1cc(F)c([C@H](C)[NH3+])cc1C(=O)[O-] 258203125 574008421 /nfs/dbraw/zinc/00/84/21/574008421.db2.gz YOOONQPZAGDANZ-LURJTMIESA-N 0 0 197.209 1.852 10 0 ADAERN CC1(C)C[C@H](CC(N)=O)CCO1 238247301 574008422 /nfs/dbraw/zinc/00/84/22/574008422.db2.gz ZEVFSXDAZCWDCY-ZETCQYMHSA-N 0 0 171.240 1.067 10 0 ADAERN CCCNC(=O)N1CC(F)(F)C1 585381419 574008428 /nfs/dbraw/zinc/00/84/28/574008428.db2.gz ZVZLPIBYBHNAFI-UHFFFAOYSA-N 0 0 178.182 1.057 10 0 ADAERN CC[C@@H](O)c1cncn1C(C)C 85188906 574008433 /nfs/dbraw/zinc/00/84/33/574008433.db2.gz JCCSJEMTOJBGNO-SECBINFHSA-N 0 0 168.240 1.907 10 0 ADAERN CC1=C(C)C[C@]2(C)[C@H](O)OC(=O)[C@@H]2C1 238246756 574008764 /nfs/dbraw/zinc/00/87/64/574008764.db2.gz OBHGRZRHRINCTK-GDPRMGEGSA-N 0 0 196.246 1.614 10 0 ADAERN CC(C)NC(=O)NC(=O)c1ccco1 82339854 574008435 /nfs/dbraw/zinc/00/84/35/574008435.db2.gz MIBBBMNKHFMJSG-UHFFFAOYSA-N 0 0 196.206 1.127 10 0 ADAERN Cc1cc(O)cc(C[C@H](C)O)c1F 258201121 574008440 /nfs/dbraw/zinc/00/84/40/574008440.db2.gz YKVNPZWROUPWKI-ZETCQYMHSA-N 0 0 184.210 1.763 10 0 ADAERN CC[C@H](O)c1cncn1CC 85185013 574008444 /nfs/dbraw/zinc/00/84/44/574008444.db2.gz GENBQYMNOUXQFZ-QMMMGPOBSA-N 0 0 154.213 1.346 10 0 ADAERN [NH3+][C@@H]1COc2c1cc(F)c([O-])c2F 104491450 574008453 /nfs/dbraw/zinc/00/84/53/574008453.db2.gz QEOLRYONQQOBNJ-RXMQYKEDSA-N 0 0 187.145 1.063 10 0 ADAERN CC(C)n1cncc1[C@@H]1CC(=O)N1 85189412 574008467 /nfs/dbraw/zinc/00/84/67/574008467.db2.gz CSMUNMYMCPMDKP-ZETCQYMHSA-N 0 0 179.223 1.025 10 0 ADAERN CCC[N@@H+]1CC[C@@H](C(=O)[O-])C(C)(C)C1 259272173 574008469 /nfs/dbraw/zinc/00/84/69/574008469.db2.gz NSXKYPVFLULXSJ-VIFPVBQESA-N 0 0 199.294 1.829 10 0 ADAERN Nc1ccc(CCCC[NH3+])cc1[S-] 259273540 574008484 /nfs/dbraw/zinc/00/84/84/574008484.db2.gz SIUGVTQHIAPTQR-UHFFFAOYSA-N 0 0 196.319 1.839 10 0 ADAERN CC(=O)[C@H](N)c1ccc(F)cc1F 104491135 574008499 /nfs/dbraw/zinc/00/84/99/574008499.db2.gz BDUDBRFUANESNV-VIFPVBQESA-N 0 0 185.173 1.554 10 0 ADAERN CC(=O)[C@@H](N)c1ccc(O)cc1Cl 104492593 574008511 /nfs/dbraw/zinc/00/85/11/574008511.db2.gz NFJHUSMLZUQJTA-SECBINFHSA-N 0 0 199.637 1.634 10 0 ADAERN Cc1cc(F)c([C@@H](C)[NH3+])cc1C(=O)[O-] 258203128 574008524 /nfs/dbraw/zinc/00/85/24/574008524.db2.gz YOOONQPZAGDANZ-ZCFIWIBFSA-N 0 0 197.209 1.852 10 0 ADAERN Cc1cc([C@](C)([NH3+])C(=O)[O-])cs1 104491251 574008525 /nfs/dbraw/zinc/00/85/25/574008525.db2.gz XMNOIKNHTHXLFO-QMMMGPOBSA-N 0 0 185.248 1.315 10 0 ADAERN C[C@H]1CNc2c(O)cccc2OC1 259272658 574008531 /nfs/dbraw/zinc/00/85/31/574008531.db2.gz PCDOSCVCBKLPAD-ZETCQYMHSA-N 0 0 179.219 1.833 10 0 ADAERN O=C1CCN(C[C@H]2CCCS2)C1 87669445 574008534 /nfs/dbraw/zinc/00/85/34/574008534.db2.gz AHIYVONSSOVSRT-SECBINFHSA-N 0 0 185.292 1.157 10 0 ADAERN Cc1cccc(Cl)c1[C@@H]([NH3+])C(=O)[O-] 104494008 574008545 /nfs/dbraw/zinc/00/85/45/574008545.db2.gz AEHKXFVIGWAPFR-MRVPVSSYSA-N 0 0 199.637 1.733 10 0 ADAERN CC(=O)[C@@H]1C[C@@H]1c1cncn1C1CC1 85189754 574008559 /nfs/dbraw/zinc/00/85/59/574008559.db2.gz MNJBVIBHPMQCME-UWVGGRQHSA-N 0 0 190.246 1.911 10 0 ADAERN CCC(=O)c1cnncc1C 238246976 574008566 /nfs/dbraw/zinc/00/85/66/574008566.db2.gz NRHVLOIBFWWGLQ-UHFFFAOYSA-N 0 0 150.181 1.378 10 0 ADAERN CCCC1C[NH+]([C@H](CC)CC(=O)[O-])C1 128032779 574008570 /nfs/dbraw/zinc/00/85/70/574008570.db2.gz BKBOJUBPCGOONI-SNVBAGLBSA-N 0 0 199.294 1.972 10 0 ADAERN Cc1cc([C@@](C)([NH3+])C(=O)[O-])cs1 104491256 574008574 /nfs/dbraw/zinc/00/85/74/574008574.db2.gz XMNOIKNHTHXLFO-MRVPVSSYSA-N 0 0 185.248 1.315 10 0 ADAERN c1cncc(OCc2cocn2)c1 258202981 574008585 /nfs/dbraw/zinc/00/85/85/574008585.db2.gz OGPPOUPJIUHTGM-UHFFFAOYSA-N 0 0 176.175 1.649 10 0 ADAERN CCCC(=O)c1ccc2n1CCO2 238247105 574008593 /nfs/dbraw/zinc/00/85/93/574008593.db2.gz JJIBTJNKBRUWIZ-UHFFFAOYSA-N 0 0 179.219 1.863 10 0 ADAERN CONCc1cc(F)c(C)c(F)c1 258201146 574008608 /nfs/dbraw/zinc/00/86/08/574008608.db2.gz YLWWNUVFLOWLKZ-UHFFFAOYSA-N 0 0 187.189 1.924 10 0 ADAERN CCn1cncc1[C@H](N)C(F)(F)F 85185541 574008611 /nfs/dbraw/zinc/00/86/11/574008611.db2.gz HYCWOHJHSQUOAB-LURJTMIESA-N 0 0 193.172 1.465 10 0 ADAERN C[C@@H](CC[NH3+])c1cc([O-])ccc1C=O 258203137 574008614 /nfs/dbraw/zinc/00/86/14/574008614.db2.gz YOPKYGHGHXHHHI-QMMMGPOBSA-N 0 0 193.246 1.657 10 0 ADAERN O=C1CCc2c1ccc1c2COC1=O 104491574 574008623 /nfs/dbraw/zinc/00/86/23/574008623.db2.gz JAANDBPNGLDVFL-UHFFFAOYSA-N 0 0 188.182 1.486 10 0 ADAERN CCCc1ccc2c(c1O)OC[C@@H]2O 238246822 574008628 /nfs/dbraw/zinc/00/86/28/574008628.db2.gz HIMBOLBVFAMFOQ-VIFPVBQESA-N 0 0 194.230 1.771 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@H]1CCCS1 87702280 574019166 /nfs/dbraw/zinc/01/91/66/574019166.db2.gz VMMBOFAXNKJCBP-SFYZADRCSA-N 0 0 198.291 1.349 10 0 ADAERN CCN(C)Cc1nnc(NC)s1 87691844 574018445 /nfs/dbraw/zinc/01/84/45/574018445.db2.gz IMGXAKNCGSUZNA-UHFFFAOYSA-N 0 0 186.284 1.032 10 0 ADAERN CC(C)OCc1nnc(N)s1 87692706 574019171 /nfs/dbraw/zinc/01/91/71/574019171.db2.gz JJXURPXBQMWZST-UHFFFAOYSA-N 0 0 173.241 1.045 10 0 ADAERN CO[C@H](C)C[C@H](O)c1cccnc1N 128087892 574018455 /nfs/dbraw/zinc/01/84/55/574018455.db2.gz AQIFQHSLUQHBMN-APPZFPTMSA-N 0 0 196.250 1.122 10 0 ADAERN O=c1ccnc([C@H]2CCCCS2)[nH]1 87700664 574018474 /nfs/dbraw/zinc/01/84/74/574018474.db2.gz KWKTZOKCBHEOGC-SSDOTTSWSA-N 0 0 196.275 1.728 10 0 ADAERN C[C@@H]([NH3+])c1cccc(F)c1C(=O)[O-] 104505668 574018486 /nfs/dbraw/zinc/01/84/86/574018486.db2.gz QUFNHHKZFIVSHI-RXMQYKEDSA-N 0 0 183.182 1.544 10 0 ADAERN C[C@H]1CN(C)c2c(CO)cccc2N1 259273141 574018496 /nfs/dbraw/zinc/01/84/96/574018496.db2.gz PFLKOQOUFGNHCA-QMMMGPOBSA-N 0 0 192.262 1.429 10 0 ADAERN O[C@@H]([C@@H]1CCCS1)[C@@H]1CCOC1 87703481 574018509 /nfs/dbraw/zinc/01/85/09/574018509.db2.gz WITHUCQARIKKQW-HRDYMLBCSA-N 0 0 188.292 1.279 10 0 ADAERN CC[C@H](O)[C@@H]1CCCS1 87702404 574018512 /nfs/dbraw/zinc/01/85/12/574018512.db2.gz OYPSVJUSPRJBGJ-BQBZGAKWSA-N 0 0 146.255 1.653 10 0 ADAERN COc1c(C=O)ccc2nn(C)cc12 259275016 574018515 /nfs/dbraw/zinc/01/85/15/574018515.db2.gz BZSVIABIBGMHRZ-UHFFFAOYSA-N 0 0 190.202 1.394 10 0 ADAERN CCCC1([C@H]2NCCNC2=O)CCC1 686130308 574018525 /nfs/dbraw/zinc/01/85/25/574018525.db2.gz ACVWWCZCKPXEBE-VIFPVBQESA-N 0 0 196.294 1.045 10 0 ADAERN CN1CCCC[C@@H]1Oc1cnsc1 258467462 574018529 /nfs/dbraw/zinc/01/85/29/574018529.db2.gz KTGIZIIYKIKDOH-VIFPVBQESA-N 0 0 198.291 1.964 10 0 ADAERN CO[C@@H](C)C[C@@H](O)C1CCOCC1 128123238 574018533 /nfs/dbraw/zinc/01/85/33/574018533.db2.gz YDJSCOWWMLACCV-WCBMZHEXSA-N 0 0 188.267 1.199 10 0 ADAERN CCNc1nnc(CN(C)C)s1 87691810 574018534 /nfs/dbraw/zinc/01/85/34/574018534.db2.gz JALUNTTUWMCLHI-UHFFFAOYSA-N 0 0 186.284 1.032 10 0 ADAERN CCN[C@@]1(C(F)F)CCCOC1 87689040 574018544 /nfs/dbraw/zinc/01/85/44/574018544.db2.gz KQCXPCHTXDBUBX-QMMMGPOBSA-N 0 0 179.210 1.410 10 0 ADAERN O=c1cc(C2CC2)ncn1C1CC1 585385055 574018571 /nfs/dbraw/zinc/01/85/71/574018571.db2.gz MGIRLKCOWVXPIQ-UHFFFAOYSA-N 0 0 176.219 1.456 10 0 ADAERN CC(C)SCc1nnc(N)s1 87693002 574018586 /nfs/dbraw/zinc/01/85/86/574018586.db2.gz MNLNJYIZMRTFPQ-UHFFFAOYSA-N 0 0 189.309 1.762 10 0 ADAERN CCN[C@@H](c1cncn1C)C(F)F 87689175 574018588 /nfs/dbraw/zinc/01/85/88/574018588.db2.gz SAZUKNSQWVRFBI-ZETCQYMHSA-N 0 0 189.209 1.336 10 0 ADAERN Cc1c(N)cc(F)c2c1C(=O)CC2 104508037 574018609 /nfs/dbraw/zinc/01/86/09/574018609.db2.gz AQPHGUHIRSRXQA-UHFFFAOYSA-N 0 0 179.194 1.845 10 0 ADAERN O[C@@H](c1cncnc1)[C@@H]1CCCS1 87702924 574018617 /nfs/dbraw/zinc/01/86/17/574018617.db2.gz FCHYVQYCPVAJAQ-IUCAKERBSA-N 0 0 196.275 1.406 10 0 ADAERN CO[C@H](C)C[C@@H](O)c1cccnc1N 128088354 574018618 /nfs/dbraw/zinc/01/86/18/574018618.db2.gz AQIFQHSLUQHBMN-VXNVDRBHSA-N 0 0 196.250 1.122 10 0 ADAERN Cc1cc(=O)n(C2CCC2)cn1 585384735 574018635 /nfs/dbraw/zinc/01/86/35/574018635.db2.gz CRXUWMYMFKPFGQ-UHFFFAOYSA-N 0 0 164.208 1.277 10 0 ADAERN O=c1ccnc([C@@H]2CCCCS2)[nH]1 87700662 574018641 /nfs/dbraw/zinc/01/86/41/574018641.db2.gz KWKTZOKCBHEOGC-ZETCQYMHSA-N 0 0 196.275 1.728 10 0 ADAERN C[C@H](O)[C@@H]1CCCS1 87703378 574018703 /nfs/dbraw/zinc/01/87/03/574018703.db2.gz UOGONHGJMSRQJS-WDSKDSINSA-N 0 0 132.228 1.263 10 0 ADAERN Cc1cc(=O)n(CC2CCC2)c(C)n1 585384964 574018705 /nfs/dbraw/zinc/01/87/05/574018705.db2.gz HWCXGCZCMFBRRT-UHFFFAOYSA-N 0 0 192.262 1.660 10 0 ADAERN O[C@H](c1cncnc1)[C@@H]1CCCS1 87702926 574018709 /nfs/dbraw/zinc/01/87/09/574018709.db2.gz FCHYVQYCPVAJAQ-DTWKUNHWSA-N 0 0 196.275 1.406 10 0 ADAERN CC[C@@H]([NH3+])c1cc(F)ccc1C(=O)[O-] 104504623 574018710 /nfs/dbraw/zinc/01/87/10/574018710.db2.gz PDWXONJNKAYLSP-SECBINFHSA-N 0 0 197.209 1.934 10 0 ADAERN NCc1nnc(OC2CCCC2)s1 87698767 574018736 /nfs/dbraw/zinc/01/87/36/574018736.db2.gz OWVKQDJGYQSAGU-UHFFFAOYSA-N 0 0 199.279 1.318 10 0 ADAERN O=c1cc(C2CC2)ncn1C1CCC1 585384989 574018738 /nfs/dbraw/zinc/01/87/38/574018738.db2.gz IXVQRXPFJRPIJP-UHFFFAOYSA-N 0 0 190.246 1.846 10 0 ADAERN Cc1cccc([C@](C)([NH3+])CO)c1Cl 104507689 574018739 /nfs/dbraw/zinc/01/87/39/574018739.db2.gz GCSIXSPEPGZWFS-SNVBAGLBSA-N 0 0 199.681 1.815 10 0 ADAERN CCC[C@@H]([NH3+])c1ccc(N)cn1 104506494 574018746 /nfs/dbraw/zinc/01/87/46/574018746.db2.gz FWRIXSLQYNVWCB-MRVPVSSYSA-N 0 0 165.240 1.464 10 0 ADAERN Nc1nc([C@H]2CCCS2)ns1 87700618 574018751 /nfs/dbraw/zinc/01/87/51/574018751.db2.gz MGIRKMTTXUHUQW-SCSAIBSYSA-N 0 0 187.293 1.688 10 0 ADAERN CC(C)n1nc2c(cc1=O)CCC2 585385009 574018754 /nfs/dbraw/zinc/01/87/54/574018754.db2.gz JVRQPXADKAJUFO-UHFFFAOYSA-N 0 0 178.235 1.313 10 0 ADAERN CN(c1cnsn1)C1CCC1 585383300 574018760 /nfs/dbraw/zinc/01/87/60/574018760.db2.gz BCXNJJVNVPEAOJ-UHFFFAOYSA-N 0 0 169.253 1.527 10 0 ADAERN CO[C@@H](C)C[C@@H](O)c1cccnc1N 128088121 574018761 /nfs/dbraw/zinc/01/87/61/574018761.db2.gz AQIFQHSLUQHBMN-IONNQARKSA-N 0 0 196.250 1.122 10 0 ADAERN F[C@H]1OCCC[C@@H]1Nc1ncccn1 585384603 574018764 /nfs/dbraw/zinc/01/87/64/574018764.db2.gz SPOFECJDTKWPQM-YUMQZZPRSA-N 0 0 197.213 1.363 10 0 ADAERN C[C@@H]1CN(C)c2c(CO)cccc2N1 259273132 574018767 /nfs/dbraw/zinc/01/87/67/574018767.db2.gz PFLKOQOUFGNHCA-MRVPVSSYSA-N 0 0 192.262 1.429 10 0 ADAERN Cn1nccc1C(=O)[C@@H]1CCCS1 87701564 574018778 /nfs/dbraw/zinc/01/87/78/574018778.db2.gz VTVFGZBQBGHPLN-QMMMGPOBSA-N 0 0 196.275 1.498 10 0 ADAERN O=C(c1cncnc1)[C@@H]1CCCS1 87701396 574018790 /nfs/dbraw/zinc/01/87/90/574018790.db2.gz QDWNGCMALSUREQ-QMMMGPOBSA-N 0 0 194.259 1.555 10 0 ADAERN COc1cc(C)cc2c1C[NH2+]C2 104508925 574018798 /nfs/dbraw/zinc/01/87/98/574018798.db2.gz NVQUDUPFWUTGSH-UHFFFAOYSA-N 0 0 163.220 1.607 10 0 ADAERN COCC(=O)[C@H]1CCCCS1 87701880 574018800 /nfs/dbraw/zinc/01/88/00/574018800.db2.gz WMIWNTJQDFTPEV-MRVPVSSYSA-N 0 0 174.265 1.488 10 0 ADAERN NC(=S)[C@@H]1CCCCS1 87699600 574018805 /nfs/dbraw/zinc/01/88/05/574018805.db2.gz SIYDRZWHWOOPRY-YFKPBYRVSA-N 0 0 161.295 1.558 10 0 ADAERN CCOCC(=O)[C@H]1CCCS1 87701442 574018827 /nfs/dbraw/zinc/01/88/27/574018827.db2.gz MCAJVIYWCGOLGK-MRVPVSSYSA-N 0 0 174.265 1.488 10 0 ADAERN CCOC[C@H](O)[C@H]1CCCS1 87703060 574018834 /nfs/dbraw/zinc/01/88/34/574018834.db2.gz PYCZXWSPGNDIDP-JGVFFNPUSA-N 0 0 176.281 1.279 10 0 ADAERN CCCOC(=O)c1cc(N)cn1CC 48671151 574018851 /nfs/dbraw/zinc/01/88/51/574018851.db2.gz OARUYYSMYKHWOH-UHFFFAOYSA-N 0 0 196.250 1.657 10 0 ADAERN Cc1cc(=O)[nH]c([C@@H]2CCCS2)n1 87700622 574018854 /nfs/dbraw/zinc/01/88/54/574018854.db2.gz ZPKQKZXCJXCIIQ-ZETCQYMHSA-N 0 0 196.275 1.646 10 0 ADAERN Nc1nc([C@H]2CCCCS2)no1 87700243 574018885 /nfs/dbraw/zinc/01/88/85/574018885.db2.gz MVCVSVBGQDVSAF-RXMQYKEDSA-N 0 0 185.252 1.610 10 0 ADAERN CCC[C@@H]([NH3+])c1cccc(N)n1 104506489 574018892 /nfs/dbraw/zinc/01/88/92/574018892.db2.gz KSXFEGNOYAEZFA-SSDOTTSWSA-N 0 0 165.240 1.464 10 0 ADAERN CO[C@H](C)C[C@@H](O)C1CCOCC1 128123451 574018924 /nfs/dbraw/zinc/01/89/24/574018924.db2.gz YDJSCOWWMLACCV-PSASIEDQSA-N 0 0 188.267 1.199 10 0 ADAERN CO[C@H](C)C[C@H](O)Cc1ccco1 128131252 574018942 /nfs/dbraw/zinc/01/89/42/574018942.db2.gz XCKGWJJJBWYEKA-BDAKNGLRSA-N 0 0 184.235 1.608 10 0 ADAERN CC(C)[C@H](O)[C@H]1CCCS1 87702416 574018946 /nfs/dbraw/zinc/01/89/46/574018946.db2.gz ORWGNEQFCFBXON-SFYZADRCSA-N 0 0 160.282 1.899 10 0 ADAERN Cc1nc(C)c(C(=O)CN(C)C)s1 104504109 574018949 /nfs/dbraw/zinc/01/89/49/574018949.db2.gz DSVNWQINXNVMHB-UHFFFAOYSA-N 0 0 198.291 1.504 10 0 ADAERN Nc1cnc([C@H]2CCCS2)nc1 87700537 574018961 /nfs/dbraw/zinc/01/89/61/574018961.db2.gz YMIOQLTYZOETKI-SSDOTTSWSA-N 0 0 181.264 1.627 10 0 ADAERN Cc1nccn1CCF 87689877 574018983 /nfs/dbraw/zinc/01/89/83/574018983.db2.gz CUGVYZXPQPAIJS-UHFFFAOYSA-N 0 0 128.150 1.161 10 0 ADAERN CC[C@@H](O)[C@@H]1CCCS1 87702406 574019013 /nfs/dbraw/zinc/01/90/13/574019013.db2.gz OYPSVJUSPRJBGJ-RQJHMYQMSA-N 0 0 146.255 1.653 10 0 ADAERN Nc1cnc([C@@H]2CCCS2)nc1 87700536 574019015 /nfs/dbraw/zinc/01/90/15/574019015.db2.gz YMIOQLTYZOETKI-ZETCQYMHSA-N 0 0 181.264 1.627 10 0 ADAERN Cn1cc(C(=O)[C@@H]2CCCS2)cn1 87701600 574019017 /nfs/dbraw/zinc/01/90/17/574019017.db2.gz XXFQTTRFZJJLBT-QMMMGPOBSA-N 0 0 196.275 1.498 10 0 ADAERN CC[C@@H]([NH3+])c1cnc(C(=O)[O-])c(F)c1 104504050 574019027 /nfs/dbraw/zinc/01/90/27/574019027.db2.gz FQIJWYMIBPKELD-SSDOTTSWSA-N 0 0 198.197 1.329 10 0 ADAERN O=c1[nH]nccc1C1CCCC1 104508833 574019037 /nfs/dbraw/zinc/01/90/37/574019037.db2.gz YTIBVPQGYBNKSA-UHFFFAOYSA-N 0 0 164.208 1.428 10 0 ADAERN CCCn1nncc1C(=O)C1CC1 128089556 574019042 /nfs/dbraw/zinc/01/90/42/574019042.db2.gz SHQOAQISPOJBNA-UHFFFAOYSA-N 0 0 179.223 1.281 10 0 ADAERN Nc1nc([C@H]2CCCS2)no1 87699727 574019084 /nfs/dbraw/zinc/01/90/84/574019084.db2.gz GXCDJMCJSNZEQD-SCSAIBSYSA-N 0 0 171.225 1.220 10 0 ADAERN c1nocc1OC[C@@H]1CCSC1 258467456 574019092 /nfs/dbraw/zinc/01/90/92/574019092.db2.gz KTFBAIMKOQJVAM-ZETCQYMHSA-N 0 0 185.248 1.807 10 0 ADAERN CCN(C)Cc1nnc(Cl)s1 87690842 574019104 /nfs/dbraw/zinc/01/91/04/574019104.db2.gz QKBGHIWNZICTHR-UHFFFAOYSA-N 0 0 191.687 1.643 10 0 ADAERN C[C@@H](O)[C@@H]1CCCS1 87703380 574019113 /nfs/dbraw/zinc/01/91/13/574019113.db2.gz UOGONHGJMSRQJS-RITPCOANSA-N 0 0 132.228 1.263 10 0 ADAERN Cn1cc(C(=O)[C@H]2CCCS2)cn1 87701602 574019124 /nfs/dbraw/zinc/01/91/24/574019124.db2.gz XXFQTTRFZJJLBT-MRVPVSSYSA-N 0 0 196.275 1.498 10 0 ADAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCS1 87702277 574019131 /nfs/dbraw/zinc/01/91/31/574019131.db2.gz VMMBOFAXNKJCBP-YUMQZZPRSA-N 0 0 198.291 1.349 10 0 ADAERN CCOC[C@H](O)[C@@H]1CCCS1 87703056 574019139 /nfs/dbraw/zinc/01/91/39/574019139.db2.gz PYCZXWSPGNDIDP-YUMQZZPRSA-N 0 0 176.281 1.279 10 0 ADAERN O=C(c1cncnc1)[C@H]1CCCS1 87701398 574019143 /nfs/dbraw/zinc/01/91/43/574019143.db2.gz QDWNGCMALSUREQ-MRVPVSSYSA-N 0 0 194.259 1.555 10 0 ADAERN CO[C@@H](C)C[C@@H](O)c1ccco1 128124141 574020388 /nfs/dbraw/zinc/02/03/88/574020388.db2.gz MOYXWNKPLSVILL-JGVFFNPUSA-N 0 0 170.208 1.738 10 0 ADAERN NNc1ccnc([C@@H]2CCCS2)n1 87715884 574020392 /nfs/dbraw/zinc/02/03/92/574020392.db2.gz JZJAETCRFZGOAI-LURJTMIESA-N 0 0 196.279 1.330 10 0 ADAERN Clc1cncc([C@@H]2COCCN2)c1 104504841 574020398 /nfs/dbraw/zinc/02/03/98/574020398.db2.gz QPGWVHLKUQSDPI-VIFPVBQESA-N 0 0 198.653 1.396 10 0 ADAERN Fc1cnc(N[C@@H]2CCC[C@H]2F)nc1 585385952 574020402 /nfs/dbraw/zinc/02/04/02/574020402.db2.gz MFYDCIKHSGQUAK-HTQZYQBOSA-N 0 0 199.204 1.918 10 0 ADAERN Cc1ccc(N[C@@H]2CCC[C@@H]2F)nn1 585386240 574020406 /nfs/dbraw/zinc/02/04/06/574020406.db2.gz WQIDYIBCQLTGLJ-DTWKUNHWSA-N 0 0 195.241 2.088 10 0 ADAERN F[C@H]1CCC[C@@H]1Nc1ncccn1 585385693 574020423 /nfs/dbraw/zinc/02/04/23/574020423.db2.gz FTBJEDSOKRNLOR-YUMQZZPRSA-N 0 0 181.214 1.779 10 0 ADAERN Cc1cc(N)nc([C@H]2CCCS2)n1 87715433 574020430 /nfs/dbraw/zinc/02/04/30/574020430.db2.gz VIMRMFVUQQUZBO-SSDOTTSWSA-N 0 0 195.291 1.935 10 0 ADAERN Cc1cc(CN[C@H]2CCC[C@@H]2F)no1 585386232 574020431 /nfs/dbraw/zinc/02/04/31/574020431.db2.gz WGKZMZPNYKSTCD-UWVGGRQHSA-N 0 0 198.241 1.963 10 0 ADAERN Cc1ocnc1CN[C@@H]1CCC[C@H]1F 585385601 574020440 /nfs/dbraw/zinc/02/04/40/574020440.db2.gz DKGMKODKEMZACH-RKDXNWHRSA-N 0 0 198.241 1.963 10 0 ADAERN OCc1cnc([C@@H]2CCCS2)nc1 87716274 574020453 /nfs/dbraw/zinc/02/04/53/574020453.db2.gz PARGIWXKOPWUEG-QMMMGPOBSA-N 0 0 196.275 1.537 10 0 ADAERN CN(Cc1cocn1)[C@@H]1CCC[C@@H]1F 585386237 574020463 /nfs/dbraw/zinc/02/04/63/574020463.db2.gz WMOMGHURWJPFMJ-VHSXEESVSA-N 0 0 198.241 1.997 10 0 ADAERN [NH3+]Cc1c[nH]c([C@H]2CCCS2)n1 87716548 574020498 /nfs/dbraw/zinc/02/04/98/574020498.db2.gz IRZDSQHQEKMYEO-SSDOTTSWSA-N 0 0 183.280 1.437 10 0 ADAERN Cc1cncn(C(C)C)c1=O 585385275 574020509 /nfs/dbraw/zinc/02/05/09/574020509.db2.gz VQCQFQKQYOKWJE-UHFFFAOYSA-N 0 0 152.197 1.133 10 0 ADAERN Cc1noc(CN[C@H]2CCC[C@H]2F)n1 585386293 574020534 /nfs/dbraw/zinc/02/05/34/574020534.db2.gz XSIMYRPHDPKQGL-SFYZADRCSA-N 0 0 199.229 1.358 10 0 ADAERN Cc1c(N)cc2c(c1F)CCC2=O 104509473 574020535 /nfs/dbraw/zinc/02/05/35/574020535.db2.gz RZOJQGKCGQGERI-UHFFFAOYSA-N 0 0 179.194 1.845 10 0 ADAERN CC[C@@H]([NH3+])c1cc(N)cnc1OC 104507750 574020546 /nfs/dbraw/zinc/02/05/46/574020546.db2.gz RAXWYXYBIWOSKT-MRVPVSSYSA-N 0 0 181.239 1.082 10 0 ADAERN COC(=N)[C@H]1CCCCS1 87714803 574020562 /nfs/dbraw/zinc/02/05/62/574020562.db2.gz KQLBXPNFIBKLSP-ZCFIWIBFSA-N 0 0 159.254 1.896 10 0 ADAERN CC[C@@]([NH3+])(CO)c1cccs1 104507914 574020579 /nfs/dbraw/zinc/02/05/79/574020579.db2.gz YIGOUKBDRVWFHZ-MRVPVSSYSA-N 0 0 171.265 1.304 10 0 ADAERN Cc1oncc1CN[C@@H]1CCC[C@H]1F 585385488 574020590 /nfs/dbraw/zinc/02/05/90/574020590.db2.gz BWBDAKBSDPHAEF-NXEZZACHSA-N 0 0 198.241 1.963 10 0 ADAERN OCc1cnc([C@H]2CCCS2)nc1 87716275 574020592 /nfs/dbraw/zinc/02/05/92/574020592.db2.gz PARGIWXKOPWUEG-MRVPVSSYSA-N 0 0 196.275 1.537 10 0 ADAERN [NH3+]Cc1c[nH]c([C@@H]2CCCS2)n1 87716545 574020597 /nfs/dbraw/zinc/02/05/97/574020597.db2.gz IRZDSQHQEKMYEO-ZETCQYMHSA-N 0 0 183.280 1.437 10 0 ADAERN CC(=O)c1nc([C@H]2CCCS2)no1 87716730 574020627 /nfs/dbraw/zinc/02/06/27/574020627.db2.gz SSBBMPHGRRINAL-ZCFIWIBFSA-N 0 0 198.247 1.840 10 0 ADAERN F[C@@H]1CCC[C@H]1NCc1c[nH]cn1 585385832 574020630 /nfs/dbraw/zinc/02/06/30/574020630.db2.gz HZYROWQWAOKCTD-RKDXNWHRSA-N 0 0 183.230 1.390 10 0 ADAERN CC[C@@H]([NH3+])c1csc(C(=O)[O-])c1 104504279 574020666 /nfs/dbraw/zinc/02/06/66/574020666.db2.gz PJSLGWUSGSXASO-ZCFIWIBFSA-N 0 0 185.248 1.856 10 0 ADAERN Nc1cccc([C@H]([NH3+])C2CC2)n1 104509159 574020685 /nfs/dbraw/zinc/02/06/85/574020685.db2.gz QSIMGBDCWRVDRK-SECBINFHSA-N 0 0 163.224 1.074 10 0 ADAERN Cc1cc(CN[C@H]2CCC[C@H]2F)on1 585385791 574020688 /nfs/dbraw/zinc/02/06/88/574020688.db2.gz GWXPLBSMGIMZPZ-ZJUUUORDSA-N 0 0 198.241 1.963 10 0 ADAERN Cc1noc(CN[C@H]2CCC[C@@H]2F)n1 585386294 574020694 /nfs/dbraw/zinc/02/06/94/574020694.db2.gz XSIMYRPHDPKQGL-YUMQZZPRSA-N 0 0 199.229 1.358 10 0 ADAERN Cc1nc(CN[C@H]2CCC[C@@H]2F)no1 585385848 574020711 /nfs/dbraw/zinc/02/07/11/574020711.db2.gz IRUFWPAIPJZZLV-YUMQZZPRSA-N 0 0 199.229 1.358 10 0 ADAERN O[C@H](c1cnccn1)[C@@H]1CCCS1 87703680 574020731 /nfs/dbraw/zinc/02/07/31/574020731.db2.gz HBJUAEZSNDTBHU-DTWKUNHWSA-N 0 0 196.275 1.406 10 0 ADAERN Cc1cc(CN[C@@H]2CCC[C@H]2F)on1 585385788 574020734 /nfs/dbraw/zinc/02/07/34/574020734.db2.gz GWXPLBSMGIMZPZ-NXEZZACHSA-N 0 0 198.241 1.963 10 0 ADAERN COc1cc(C)cc2c1[C@H]([NH3+])CCO2 104506046 574020739 /nfs/dbraw/zinc/02/07/39/574020739.db2.gz COWWOERSXYPDLH-MRVPVSSYSA-N 0 0 193.246 1.786 10 0 ADAERN F[C@@H]1CCC[C@H]1NCc1ncon1 585385895 574020740 /nfs/dbraw/zinc/02/07/40/574020740.db2.gz JZTSHHBEVTZIID-RNFRBKRXSA-N 0 0 185.202 1.050 10 0 ADAERN Nc1ccnc([C@H]2CCCS2)n1 87715482 574020742 /nfs/dbraw/zinc/02/07/42/574020742.db2.gz BLXMVQGOMFACMB-ZCFIWIBFSA-N 0 0 181.264 1.627 10 0 ADAERN O=Cc1ccnc([C@@H]2CCCS2)n1 87716099 574020744 /nfs/dbraw/zinc/02/07/44/574020744.db2.gz DBMUQVQURKZCDW-QMMMGPOBSA-N 0 0 194.259 1.857 10 0 ADAERN CN(Cc1cocn1)[C@H]1CCC[C@H]1F 585386238 574020753 /nfs/dbraw/zinc/02/07/53/574020753.db2.gz WMOMGHURWJPFMJ-ZJUUUORDSA-N 0 0 198.241 1.997 10 0 ADAERN Cc1cc(=O)n(C2CCC2)c(C)n1 585385141 574020765 /nfs/dbraw/zinc/02/07/65/574020765.db2.gz PPFXOELGMMFULI-UHFFFAOYSA-N 0 0 178.235 1.585 10 0 ADAERN CN(C(=O)C1CC1)C1CCC(O)CC1 259275313 574020768 /nfs/dbraw/zinc/02/07/68/574020768.db2.gz UXDODWSWKCQSER-UHFFFAOYSA-N 0 0 197.278 1.158 10 0 ADAERN COc1ccc(F)c2c1OCCC2=O 104507488 574020772 /nfs/dbraw/zinc/02/07/72/574020772.db2.gz FJCNYDDVPOHAMK-UHFFFAOYSA-N 0 0 196.177 1.800 10 0 ADAERN CC[C@H]([NH3+])c1ccc(F)c(C(=O)[O-])c1 104504630 574020815 /nfs/dbraw/zinc/02/08/15/574020815.db2.gz ORZBPJJANUNLNX-VIFPVBQESA-N 0 0 197.209 1.934 10 0 ADAERN Cc1oncc1C(=O)N(C)C1CCC1 585383578 574020837 /nfs/dbraw/zinc/02/08/37/574020837.db2.gz LLFGMSNPUJNEIY-UHFFFAOYSA-N 0 0 194.234 1.608 10 0 ADAERN Cn1cc([C@H](O)[C@H]2CCCS2)cn1 87703659 574020867 /nfs/dbraw/zinc/02/08/67/574020867.db2.gz LWRBOJDUDRHKPZ-BDAKNGLRSA-N 0 0 198.291 1.349 10 0 ADAERN O=C1CCCc2c(CO)cc(F)cc21 104506864 574020869 /nfs/dbraw/zinc/02/08/69/574020869.db2.gz WIZBIBRRABTWAV-UHFFFAOYSA-N 0 0 194.205 1.837 10 0 ADAERN C[C@@H]([NH3+])c1cc(CO)ccc1F 104506439 574020873 /nfs/dbraw/zinc/02/08/73/574020873.db2.gz YQXLSBXYTDBDPZ-ZCFIWIBFSA-N 0 0 169.199 1.338 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ccc[nH]c1=O 104508409 574020907 /nfs/dbraw/zinc/02/09/07/574020907.db2.gz CNXSMVOEGCPAPJ-MRVPVSSYSA-N 0 0 166.224 1.443 10 0 ADAERN [NH3+]Cc1c[nH]c([C@H]2CCCCS2)n1 87716542 574020916 /nfs/dbraw/zinc/02/09/16/574020916.db2.gz SJIOSCXWVNSZEN-MRVPVSSYSA-N 0 0 197.307 1.827 10 0 ADAERN CC[C@@H]([NH3+])c1cc(O)cc(F)c1 104508379 574020928 /nfs/dbraw/zinc/02/09/28/574020928.db2.gz PXWWFJAVTXKMOC-SECBINFHSA-N 0 0 169.199 1.941 10 0 ADAERN Nc1ccnc([C@@H]2CCCS2)n1 87715480 574020933 /nfs/dbraw/zinc/02/09/33/574020933.db2.gz BLXMVQGOMFACMB-LURJTMIESA-N 0 0 181.264 1.627 10 0 ADAERN O=C1Nc2cc(Cl)ccc2[C@H]1O 104504105 574020956 /nfs/dbraw/zinc/02/09/56/574020956.db2.gz VNLYCOPLPCLOAO-SSDOTTSWSA-N 0 0 183.594 1.326 10 0 in-vitro ADAERN CC[C@@H]([NH3+])c1cscc1C(=O)[O-] 104504266 574020959 /nfs/dbraw/zinc/02/09/59/574020959.db2.gz ZNCCKWZICVNUGB-SSDOTTSWSA-N 0 0 185.248 1.856 10 0 ADAERN CCOC(=N)[C@H]1CCCS1 87714814 574020961 /nfs/dbraw/zinc/02/09/61/574020961.db2.gz PCBAOORJPWGOAU-ZCFIWIBFSA-N 0 0 159.254 1.896 10 0 ADAERN O=Cc1nc([C@H]2CCCCS2)no1 87716808 574020970 /nfs/dbraw/zinc/02/09/70/574020970.db2.gz INEZOATTYTTYTR-ZCFIWIBFSA-N 0 0 198.247 1.840 10 0 ADAERN Cc1ocnc1CN[C@@H]1CCC[C@@H]1F 585385599 574020974 /nfs/dbraw/zinc/02/09/74/574020974.db2.gz DKGMKODKEMZACH-DTWKUNHWSA-N 0 0 198.241 1.963 10 0 ADAERN Cc1ncn(C2CC2)c(=O)c1C 585385145 574020987 /nfs/dbraw/zinc/02/09/87/574020987.db2.gz QALZKRYPAXMNAK-UHFFFAOYSA-N 0 0 164.208 1.195 10 0 ADAERN COc1ccc(C)c2sc(=O)[nH]c12 104519593 574024134 /nfs/dbraw/zinc/02/41/34/574024134.db2.gz YRMPZWVMZSPQPC-UHFFFAOYSA-N 0 0 195.243 1.907 10 0 ADAERN Nc1cccc(N[C@@H]2CCCOC2)[nH+]1 87726407 574023511 /nfs/dbraw/zinc/02/35/11/574023511.db2.gz NWPUBRODFZNQSG-MRVPVSSYSA-N 0 0 193.250 1.255 10 0 ADAERN C[C@H]1C[C@H]1CN(C)c1cccc(N)[nH+]1 87731475 574023534 /nfs/dbraw/zinc/02/35/34/574023534.db2.gz BZCFAAMKKSNDMB-IUCAKERBSA-N 0 0 191.278 1.756 10 0 ADAERN CC[C@@](C)(CO)Nc1cccc(N)[nH+]1 87726522 574023543 /nfs/dbraw/zinc/02/35/43/574023543.db2.gz HHULKRQJVXRHCS-JTQLQIEISA-N 0 0 195.266 1.237 10 0 ADAERN Cc1cc(N)c(F)c2c1CCC2=O 104510254 574023552 /nfs/dbraw/zinc/02/35/52/574023552.db2.gz DYRGRJXWZQBWLE-UHFFFAOYSA-N 0 0 179.194 1.845 10 0 ADAERN CC[C@@H]([NH3+])c1ccc(C=O)nc1 104516362 574023577 /nfs/dbraw/zinc/02/35/77/574023577.db2.gz BTSUBXMJQSTDLY-SECBINFHSA-N 0 0 164.208 1.304 10 0 ADAERN Nc1cccc(NC2CCC2)[nH+]1 87726333 574023584 /nfs/dbraw/zinc/02/35/84/574023584.db2.gz CZEGUABSGQEUOB-UHFFFAOYSA-N 0 0 163.224 1.628 10 0 ADAERN CCc1cccc([C@@H]2COCC[NH2+]2)c1 104514369 574023585 /nfs/dbraw/zinc/02/35/85/574023585.db2.gz ZUVRILXOLYFHFY-LBPRGKRZSA-N 0 0 191.274 1.910 10 0 ADAERN CN1CCC[C@@H]1c1ccc(Cl)nn1 259278012 574023587 /nfs/dbraw/zinc/02/35/87/574023587.db2.gz BIJLACNPAZGPBJ-MRVPVSSYSA-N 0 0 197.669 1.897 10 0 ADAERN [NH3+][C@@H]1CCc2c(F)ccc(CO)c21 104515906 574023596 /nfs/dbraw/zinc/02/35/96/574023596.db2.gz RTRUQJCJQVORSJ-SECBINFHSA-N 0 0 181.210 1.264 10 0 ADAERN COC(=O)C1(SC(C)C)COC1 259277629 574023619 /nfs/dbraw/zinc/02/36/19/574023619.db2.gz RLBYFVWFKPEYGE-UHFFFAOYSA-N 0 0 190.264 1.070 10 0 ADAERN CNc1ccc([C@@H]2COCC[NH2+]2)cc1 104514360 574023621 /nfs/dbraw/zinc/02/36/21/574023621.db2.gz WNXDWGVSWQPONX-NSHDSACASA-N 0 0 192.262 1.389 10 0 ADAERN COc1ncc(N)cc1[C@H]([NH3+])C1CC1 104514117 574023626 /nfs/dbraw/zinc/02/36/26/574023626.db2.gz SURXGNXIMKYTGO-SECBINFHSA-N 0 0 193.250 1.082 10 0 ADAERN O=c1cc(C2CCCCC2)cn[nH]1 104510331 574023650 /nfs/dbraw/zinc/02/36/50/574023650.db2.gz CYXKRHOCQHJCCA-UHFFFAOYSA-N 0 0 178.235 1.818 10 0 ADAERN CCCC(=O)N1CCCC(=O)C1(C)C 259279041 574023651 /nfs/dbraw/zinc/02/36/51/574023651.db2.gz VAVCNOFFGONFCM-UHFFFAOYSA-N 0 0 197.278 1.757 10 0 ADAERN CC(C)[C@H](C)Oc1cncc(N)n1 87725475 574023652 /nfs/dbraw/zinc/02/36/52/574023652.db2.gz WFHYPNNQHCGIAB-ZETCQYMHSA-N 0 0 181.239 1.482 10 0 ADAERN C=Cc1nnc(C(C)C)o1 104511238 574023656 /nfs/dbraw/zinc/02/36/56/574023656.db2.gz GNYWDGWPSJVWID-UHFFFAOYSA-N 0 0 138.170 1.836 10 0 ADAERN C[C@@]1(C2CCC2)CNC(=O)OC1 258524310 574023664 /nfs/dbraw/zinc/02/36/64/574023664.db2.gz MSBGPXYXZSLYCL-SECBINFHSA-N 0 0 169.224 1.533 10 0 ADAERN O=C1CC=CC[C@H]2C[C@@H]2C1 238581518 574023666 /nfs/dbraw/zinc/02/36/66/574023666.db2.gz DCAVYMQOLXZREM-JGVFFNPUSA-N 0 0 136.194 1.932 10 0 ADAERN O=Cc1c[nH]c([C@@H]2CCCS2)n1 87717227 574023673 /nfs/dbraw/zinc/02/36/73/574023673.db2.gz DGNUBTASXLDXQS-ZETCQYMHSA-N 0 0 182.248 1.790 10 0 ADAERN CN[C@@]1(C(F)(F)F)CCO[C@@H](C)C1 85276469 574023675 /nfs/dbraw/zinc/02/36/75/574023675.db2.gz DOLMYABHUKLXQK-BQBZGAKWSA-N 0 0 197.200 1.706 10 0 ADAERN Nc1cc(C[C@H]2CCCCS2)[nH]n1 259277112 574023695 /nfs/dbraw/zinc/02/36/95/574023695.db2.gz PJIXJKALKFTFJC-MRVPVSSYSA-N 0 0 197.307 1.820 10 0 ADAERN CC[C@H](C)Nc1cccc(N)[nH+]1 87725742 574023716 /nfs/dbraw/zinc/02/37/16/574023716.db2.gz YMKNKOCUYMUOHC-ZETCQYMHSA-N 0 0 165.240 1.874 10 0 ADAERN Cc1cc2c(cc1N)CCC2=O 104514435 574023721 /nfs/dbraw/zinc/02/37/21/574023721.db2.gz AMDPTIUYZGFTAE-UHFFFAOYSA-N 0 0 161.204 1.706 10 0 ADAERN C/C=C/COc1cncc(N)n1 87725373 574023736 /nfs/dbraw/zinc/02/37/36/574023736.db2.gz KPICUGQPVTYCIN-NSCUHMNNSA-N 0 0 165.196 1.014 10 0 ADAERN OCc1n[nH]c([C@H]2CCCCS2)n1 87717378 574023738 /nfs/dbraw/zinc/02/37/38/574023738.db2.gz TUQZYORGQWZFHS-ZCFIWIBFSA-N 0 0 199.279 1.255 10 0 ADAERN CCN[C@@H]([C@H]1CCOC1)C(F)(F)F 85277162 574023739 /nfs/dbraw/zinc/02/37/39/574023739.db2.gz NOBXTVRTTBVWBW-BQBZGAKWSA-N 0 0 197.200 1.563 10 0 ADAERN Cn1cncc1-c1cc(Cl)on1 87724029 574023761 /nfs/dbraw/zinc/02/37/61/574023761.db2.gz MHYQJARPBCQXKS-UHFFFAOYSA-N 0 0 183.598 1.729 10 0 ADAERN COc1ccc(CO)c(F)c1O 104511148 574023795 /nfs/dbraw/zinc/02/37/95/574023795.db2.gz QEFXMGVWKDBIMI-UHFFFAOYSA-N 0 0 172.155 1.032 10 0 ADAERN CC1(C)C[C@H]1Nc1cccc(N)[nH+]1 87726111 574023803 /nfs/dbraw/zinc/02/38/03/574023803.db2.gz LVCYPTHMMUWDPJ-SSDOTTSWSA-N 0 0 177.251 1.874 10 0 ADAERN Cc1c(N)noc1CC(C)C 85278375 574023806 /nfs/dbraw/zinc/02/38/06/574023806.db2.gz DHKDDHOYGYKCJB-UHFFFAOYSA-N 0 0 154.213 1.764 10 0 ADAERN Cn1nc([C@H]2CCCO2)cc1C=O 259277095 574023810 /nfs/dbraw/zinc/02/38/10/574023810.db2.gz PJHAHOKMWMPMMU-SECBINFHSA-N 0 0 180.207 1.084 10 0 ADAERN CN[C@@](C)(C1CC1)C(F)(F)F 85276587 574023813 /nfs/dbraw/zinc/02/38/13/574023813.db2.gz ZDMLJNLKMQTAGZ-LURJTMIESA-N 0 0 167.174 1.937 10 0 ADAERN CC[C@](C)(CO)Nc1cccc(N)[nH+]1 87726524 574023819 /nfs/dbraw/zinc/02/38/19/574023819.db2.gz HHULKRQJVXRHCS-SNVBAGLBSA-N 0 0 195.266 1.237 10 0 ADAERN Cc1ccc([C@@H]2COCC[NH2+]2)cc1N 104515160 574023820 /nfs/dbraw/zinc/02/38/20/574023820.db2.gz TYAGJRNMKKQMOQ-NSHDSACASA-N 0 0 192.262 1.238 10 0 ADAERN CC[C@@H](C)CNc1cncc(N)n1 87724387 574023829 /nfs/dbraw/zinc/02/38/29/574023829.db2.gz XDYFUWSQZZHIBD-SSDOTTSWSA-N 0 0 180.255 1.517 10 0 ADAERN Cc1cc(C(=O)CN)cc(N)c1C 259278039 574023830 /nfs/dbraw/zinc/02/38/30/574023830.db2.gz BIVFGHITOQGTBX-UHFFFAOYSA-N 0 0 178.235 1.027 10 0 ADAERN CC(C)[C@@H]([NH3+])c1ccsc1N 104516584 574023844 /nfs/dbraw/zinc/02/38/44/574023844.db2.gz DBKSHLRCWZCUQF-SSDOTTSWSA-N 0 0 170.281 1.986 10 0 ADAERN Cc1c(N)noc1C1CCOCC1 85278080 574023847 /nfs/dbraw/zinc/02/38/47/574023847.db2.gz XCJGGQQTTVBOGE-UHFFFAOYSA-N 0 0 182.223 1.459 10 0 ADAERN CNC1(C(F)(F)F)CCC1 85276803 574023865 /nfs/dbraw/zinc/02/38/65/574023865.db2.gz DADNBJBOTULLSU-UHFFFAOYSA-N 0 0 153.147 1.691 10 0 ADAERN CCN[C@H](CC)C(F)(F)F 85277126 574023871 /nfs/dbraw/zinc/02/38/71/574023871.db2.gz SUOIJEDDVQHDRC-RXMQYKEDSA-N 0 0 155.163 1.937 10 0 ADAERN C[C@@H](C1CC1)N(C)c1cncc(N)n1 87724782 574023875 /nfs/dbraw/zinc/02/38/75/574023875.db2.gz RZBREXKVYIQGOB-ZETCQYMHSA-N 0 0 192.266 1.294 10 0 ADAERN Nc1cc(CC2CC2)on1 85278557 574023892 /nfs/dbraw/zinc/02/38/92/574023892.db2.gz GUCUNKRQCJDBBY-UHFFFAOYSA-N 0 0 138.170 1.209 10 0 ADAERN CCCCNc1cccc(N)[nH+]1 87725771 574023895 /nfs/dbraw/zinc/02/38/95/574023895.db2.gz OEUCXLDYSFNYGB-UHFFFAOYSA-N 0 0 165.240 1.876 10 0 ADAERN Nc1cccc(NCC2CCC2)[nH+]1 87725860 574023902 /nfs/dbraw/zinc/02/39/02/574023902.db2.gz YCLFWUCTKUOUQE-UHFFFAOYSA-N 0 0 177.251 1.876 10 0 ADAERN CCN[C@]1(C(F)(F)F)CCN(C)C1 85277315 574023908 /nfs/dbraw/zinc/02/39/08/574023908.db2.gz JJYJKDMHICECCM-SSDOTTSWSA-N 0 0 196.216 1.233 10 0 ADAERN CC1(C)C[C@@H]1Nc1cccc(N)[nH+]1 87726109 574023937 /nfs/dbraw/zinc/02/39/37/574023937.db2.gz LVCYPTHMMUWDPJ-ZETCQYMHSA-N 0 0 177.251 1.874 10 0 ADAERN CCNC(C)(C)C(F)(F)F 85277418 574023940 /nfs/dbraw/zinc/02/39/40/574023940.db2.gz DJLZODNQFNASCA-UHFFFAOYSA-N 0 0 155.163 1.937 10 0 ADAERN Cc1c(N)noc1-c1ccoc1 85278141 574023970 /nfs/dbraw/zinc/02/39/70/574023970.db2.gz DVKMCFDFNLSNCA-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C[C@H]1CCN(c2cccc(N)[nH+]2)C1 87727083 574023981 /nfs/dbraw/zinc/02/39/81/574023981.db2.gz HSBDXSJTCIWGMS-QMMMGPOBSA-N 0 0 177.251 1.510 10 0 ADAERN CC[C@@H](C)[C@H](C)Nc1cncc(N)n1 87724285 574023990 /nfs/dbraw/zinc/02/39/90/574023990.db2.gz IPBGTPICHFGRAO-SFYZADRCSA-N 0 0 194.282 1.905 10 0 ADAERN CCN(C)c1cccc(N)[nH+]1 87726934 574024000 /nfs/dbraw/zinc/02/40/00/574024000.db2.gz WBPDWLVZRMHXLQ-UHFFFAOYSA-N 0 0 151.213 1.120 10 0 ADAERN C[C@H](C1CC1)N(C)c1cccc(N)[nH+]1 87727021 574024011 /nfs/dbraw/zinc/02/40/11/574024011.db2.gz GEMGDDXOMQXYJN-MRVPVSSYSA-N 0 0 191.278 1.899 10 0 ADAERN Nc1cc(CCc2ccco2)on1 85278606 574024013 /nfs/dbraw/zinc/02/40/13/574024013.db2.gz NDGWSPYRKLOOQS-UHFFFAOYSA-N 0 0 178.191 1.635 10 0 ADAERN CN(CC1CCC1)c1cccc(N)[nH+]1 87727403 574024020 /nfs/dbraw/zinc/02/40/20/574024020.db2.gz PLUUBXBSWVXKRU-UHFFFAOYSA-N 0 0 191.278 1.900 10 0 ADAERN Cc1c(N)noc1-c1cccnc1 85278250 574024022 /nfs/dbraw/zinc/02/40/22/574024022.db2.gz UTWZCUQIHUNELB-UHFFFAOYSA-N 0 0 175.191 1.627 10 0 ADAERN Cc1c(N)noc1-c1ccco1 85278315 574024046 /nfs/dbraw/zinc/02/40/46/574024046.db2.gz YXMCRPQDKNTANX-UHFFFAOYSA-N 0 0 164.164 1.825 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1cccc(N)[nH+]1 87731471 574024061 /nfs/dbraw/zinc/02/40/61/574024061.db2.gz BZCFAAMKKSNDMB-DTWKUNHWSA-N 0 0 191.278 1.756 10 0 ADAERN COC(=O)C1(c2cc[nH]c2)CCC1 259278500 574024062 /nfs/dbraw/zinc/02/40/62/574024062.db2.gz PEUSGIKLZNXZBY-UHFFFAOYSA-N 0 0 179.219 1.609 10 0 ADAERN Nc1ncnc([C@@H]2CCCCS2)n1 87717179 574024079 /nfs/dbraw/zinc/02/40/79/574024079.db2.gz ROVJGULKZQMUAI-LURJTMIESA-N 0 0 196.279 1.412 10 0 ADAERN CCSc1ccc(CO)cn1 87720334 574024099 /nfs/dbraw/zinc/02/40/99/574024099.db2.gz RSCJMUFJLFJRGK-UHFFFAOYSA-N 0 0 169.249 1.686 10 0 ADAERN Cc1c(N)noc1[C@@H]1C[C@H]1C 85278171 574024104 /nfs/dbraw/zinc/02/41/04/574024104.db2.gz CVRXMYXMATZCOP-INEUFUBQSA-N 0 0 152.197 1.689 10 0 ADAERN Cc1noc2c(F)c(N)ccc12 259278103 574024105 /nfs/dbraw/zinc/02/41/05/574024105.db2.gz CCXHVQCOKLUBSL-UHFFFAOYSA-N 0 0 166.155 1.858 10 0 ADAERN CCCNC(=O)N1CC(C(F)F)C1 585391043 574024108 /nfs/dbraw/zinc/02/41/08/574024108.db2.gz HAAPMWQFFLOGME-UHFFFAOYSA-N 0 0 192.209 1.303 10 0 ADAERN CCN(c1cccc(N)[nH+]1)C(C)C 87726944 574024109 /nfs/dbraw/zinc/02/41/09/574024109.db2.gz RURNHZWLRLDFFK-UHFFFAOYSA-N 0 0 179.267 1.899 10 0 ADAERN CC[C@@H]1C(=O)NC[C@H]1C(C)C 143733596 574032513 /nfs/dbraw/zinc/03/25/13/574032513.db2.gz ZLZZWSOWQCLPPG-YUMQZZPRSA-N 0 0 155.241 1.415 10 0 ADAERN Cc1oc(N)nc1-c1cc[nH]c1 259287053 574033265 /nfs/dbraw/zinc/03/32/65/574033265.db2.gz VZRDMHBWRDGJCO-UHFFFAOYSA-N 0 0 163.180 1.560 10 0 ADAERN Nc1ccc(F)cc1N[C@H]1CCOC1 87783338 574032543 /nfs/dbraw/zinc/03/25/43/574032543.db2.gz LUSJNIXPRUTVKY-QMMMGPOBSA-N 0 0 196.225 1.609 10 0 ADAERN O[C@@H]1CCCC[C@H]1CCF 87776980 574032554 /nfs/dbraw/zinc/03/25/54/574032554.db2.gz GAKKHLRDCKOQHK-JGVFFNPUSA-N 0 0 146.205 1.897 10 0 ADAERN Cc1ncnc2[nH]cc(F)c12 143771900 574032556 /nfs/dbraw/zinc/03/25/56/574032556.db2.gz OUXNZYQWJJVSKX-UHFFFAOYSA-N 0 0 151.144 1.405 10 0 ADAERN CC[C@H](CCF)[C@H](C)O 87776970 574032558 /nfs/dbraw/zinc/03/25/58/574032558.db2.gz DXULNRRREABPCB-NKWVEPMBSA-N 0 0 134.194 1.753 10 0 ADAERN Cc1ccc(N)cc1N[C@@H]1CCOC1 87783522 574032561 /nfs/dbraw/zinc/03/25/61/574032561.db2.gz GHNWRHTVJSEFGI-SNVBAGLBSA-N 0 0 192.262 1.778 10 0 ADAERN C[C@H](O)c1ccn2ccnc2c1 143745471 574032566 /nfs/dbraw/zinc/03/25/66/574032566.db2.gz ITVWJRBUPUDWQA-ZETCQYMHSA-N 0 0 162.192 1.388 10 0 ADAERN Cc1c(N)cccc1N[C@@H]1CCOC1 87783416 574032567 /nfs/dbraw/zinc/03/25/67/574032567.db2.gz YZGZPWRITPKHMH-SECBINFHSA-N 0 0 192.262 1.778 10 0 ADAERN CCn1cncc1[C@H]1N[C@H](C)CS1 85309763 574032572 /nfs/dbraw/zinc/03/25/72/574032572.db2.gz SIZGFKHADCVPAQ-APPZFPTMSA-N 0 0 197.307 1.627 10 0 ADAERN C/C=C(/C)C(C)(C)CO 143791308 574032584 /nfs/dbraw/zinc/03/25/84/574032584.db2.gz ZQAPKTXFVOPKBP-ALCCZGGFSA-N 0 0 128.215 1.971 10 0 ADAERN CO[C@@H]1C(=O)C[C@@H]2CCCC[C@@H]21 143827367 574032590 /nfs/dbraw/zinc/03/25/90/574032590.db2.gz DVGLISHGESWLJQ-NRPADANISA-N 0 0 168.236 1.781 10 0 ADAERN O[C@H]1CCCC[C@H]1CCF 87776979 574032596 /nfs/dbraw/zinc/03/25/96/574032596.db2.gz GAKKHLRDCKOQHK-YUMQZZPRSA-N 0 0 146.205 1.897 10 0 ADAERN CC(C)c1nc2n(n1)CCC[C@@H]2O 258468860 574032602 /nfs/dbraw/zinc/03/26/02/574032602.db2.gz QEGGIMYLAAKORW-ZETCQYMHSA-N 0 0 181.239 1.229 10 0 ADAERN C[C@@H]1CSC[C@@H](C(F)(F)F)N1 85311028 574032626 /nfs/dbraw/zinc/03/26/26/574032626.db2.gz BSDWMFWBPBYYDY-UHNVWZDZSA-N 0 0 185.214 1.642 10 0 ADAERN CC(=O)CC[C@@H]1C=C[C@@]2(CO2)C1 143723026 574032654 /nfs/dbraw/zinc/03/26/54/574032654.db2.gz KHHKVYZEXCYBGF-ZJUUUORDSA-N 0 0 166.220 1.701 10 0 ADAERN COC(=O)n1ccc(C)c1 143781680 574032674 /nfs/dbraw/zinc/03/26/74/574032674.db2.gz RPDQEOPKNFZKHP-UHFFFAOYSA-N 0 0 139.154 1.411 10 0 ADAERN Nc1ccc([S@](=O)CCF)cc1 87776952 574032682 /nfs/dbraw/zinc/03/26/82/574032682.db2.gz LJOJPJZSCNBJQN-LBPRGKRZSA-N 0 0 187.239 1.346 10 0 ADAERN COCc1cc2c(cc1N)OCO2 143789915 574032694 /nfs/dbraw/zinc/03/26/94/574032694.db2.gz PJZWGAFKGUMXID-UHFFFAOYSA-N 0 0 181.191 1.144 10 0 ADAERN O[C@@H]1CCC[C@@H]1CCF 87776961 574032700 /nfs/dbraw/zinc/03/27/00/574032700.db2.gz YCQLHCGLHGVYDZ-RNFRBKRXSA-N 0 0 132.178 1.507 10 0 ADAERN NC(=S)C=C(N)C1CCCCC1 143762360 574032701 /nfs/dbraw/zinc/03/27/01/574032701.db2.gz DAEHYOTZZMPXQW-SOFGYWHQSA-N 0 0 184.308 1.695 10 0 ADAERN CC1(C)CCc2nc(N)[nH]c(=O)c2C1 143802806 574032728 /nfs/dbraw/zinc/03/27/28/574032728.db2.gz UBGVQXGCWNVZIU-UHFFFAOYSA-N 0 0 193.250 1.279 10 0 ADAERN O=C1C[C@H]2C[C@@H]3C[C@](O)(C2)C[C@H]13 143722180 574032739 /nfs/dbraw/zinc/03/27/39/574032739.db2.gz RGEUEDGLFOEPEA-BDNRQGISSA-N 0 0 166.220 1.127 10 0 ADAERN CCC[C@H](O)CCCF 87776971 574032766 /nfs/dbraw/zinc/03/27/66/574032766.db2.gz GUGSSRSZHJTZGC-ZETCQYMHSA-N 0 0 134.194 1.897 10 0 ADAERN CC[C@H](O)CCCF 87776975 574032773 /nfs/dbraw/zinc/03/27/73/574032773.db2.gz NABLMXHNBQISDS-LURJTMIESA-N 0 0 120.167 1.507 10 0 ADAERN COc1ccc2c(c1O)OCC2 143720921 574032788 /nfs/dbraw/zinc/03/27/88/574032788.db2.gz TVBBRQAHCNKKBF-UHFFFAOYSA-N 0 0 166.176 1.336 10 0 ADAERN C(=C/c1ccc[nH]1)\c1ncon1 143770919 574032803 /nfs/dbraw/zinc/03/28/03/574032803.db2.gz FGBHKJLGADSNOO-ONEGZZNKSA-N 0 0 161.164 1.568 10 0 ADAERN C[C@@H](CCF)[C@@H](C)O 87776983 574032804 /nfs/dbraw/zinc/03/28/04/574032804.db2.gz RNHFFDBHRYNZLY-NTSWFWBYSA-N 0 0 120.167 1.363 10 0 ADAERN Cc1n[nH]c2c(C=O)ccc(F)c12 259287892 574032828 /nfs/dbraw/zinc/03/28/28/574032828.db2.gz CRZLMVQTERMKCK-UHFFFAOYSA-N 0 0 178.166 1.823 10 0 ADAERN C[C@@H](CO)C(=O)C1CCCCC1 143743263 574032869 /nfs/dbraw/zinc/03/28/69/574032869.db2.gz VMBNCGAXOKUYJQ-QMMMGPOBSA-N 0 0 170.252 1.764 10 0 ADAERN C[C@@H](O)CCCF 87776966 574032901 /nfs/dbraw/zinc/03/29/01/574032901.db2.gz RCIXPUGUGPXKBZ-RXMQYKEDSA-N 0 0 106.140 1.117 10 0 ADAERN CC(C)[C@H](CCF)[C@H](C)O 87777032 574032903 /nfs/dbraw/zinc/03/29/03/574032903.db2.gz RCSBEPDGMNULMA-YUMQZZPRSA-N 0 0 148.221 1.999 10 0 ADAERN Nc1nn(CCF)c2ccccc12 87777084 574032914 /nfs/dbraw/zinc/03/29/14/574032914.db2.gz JPFFROMKHLUZFB-UHFFFAOYSA-N 0 0 179.198 1.588 10 0 ADAERN COc1sccc1CO 143816949 574032919 /nfs/dbraw/zinc/03/29/19/574032919.db2.gz LYGZQPSREKILBO-UHFFFAOYSA-N 0 0 144.195 1.249 10 0 ADAERN c1cncc([C@H]2NCCCS2)c1 85314800 574032921 /nfs/dbraw/zinc/03/29/21/574032921.db2.gz MRXPXTMVDBCUCE-VIFPVBQESA-N 0 0 180.276 1.807 10 0 ADAERN CC[C@@H]1Cc2c(ccc(N)c2N)C1=O 143810518 574032933 /nfs/dbraw/zinc/03/29/33/574032933.db2.gz UEXHHDDYPSGICE-ZCFIWIBFSA-N 0 0 190.246 1.616 10 0 ADAERN c1ccc([C@@H]2NCCCS2)nc1 85314769 574032936 /nfs/dbraw/zinc/03/29/36/574032936.db2.gz MUTMGOHLAZJVGK-SECBINFHSA-N 0 0 180.276 1.807 10 0 ADAERN CC(C)[C@@H](CCF)[C@@H](C)O 87777029 574032949 /nfs/dbraw/zinc/03/29/49/574032949.db2.gz RCSBEPDGMNULMA-HTQZYQBOSA-N 0 0 148.221 1.999 10 0 ADAERN CC(=O)CC[C@@H]1C=C[C@]2(CO2)C1 143722620 574032954 /nfs/dbraw/zinc/03/29/54/574032954.db2.gz KHHKVYZEXCYBGF-NXEZZACHSA-N 0 0 166.220 1.701 10 0 ADAERN CC1=C(CO)Oc2ccccc2O1 143775159 574033000 /nfs/dbraw/zinc/03/30/00/574033000.db2.gz PHBJRQKBMDKAIT-UHFFFAOYSA-N 0 0 178.187 1.682 10 0 ADAERN Nc1ccc(F)cc1N[C@@H]1CCOC1 87783336 574033003 /nfs/dbraw/zinc/03/30/03/574033003.db2.gz LUSJNIXPRUTVKY-MRVPVSSYSA-N 0 0 196.225 1.609 10 0 ADAERN CCCOC[C@H](O)C[C@@H](C)OC 128184466 574033010 /nfs/dbraw/zinc/03/30/10/574033010.db2.gz CNWAFNFPKVRBHA-RKDXNWHRSA-N 0 0 176.256 1.199 10 0 ADAERN C[C@@H]1CO[C@H](c2ccccc2)[C@@H]1O 143777378 574033011 /nfs/dbraw/zinc/03/30/11/574033011.db2.gz MEBSIULCUCPNNI-FBIMIBRVSA-N 0 0 178.231 1.755 10 0 ADAERN C[C@@H]1c2ccccc2C[C@H]1CO 143712894 574033040 /nfs/dbraw/zinc/03/30/40/574033040.db2.gz NZUYYNBHUPGKRF-WPRPVWTQSA-N 0 0 162.232 1.955 10 0 ADAERN Cc1ccc(N[C@H]2CCOC2)cc1N 87783278 574033041 /nfs/dbraw/zinc/03/30/41/574033041.db2.gz LKMRITWKCJVJNQ-JTQLQIEISA-N 0 0 192.262 1.778 10 0 ADAERN CCCC(C)(C)[C@H]([NH3+])C(=O)[O-] 143792353 574033046 /nfs/dbraw/zinc/03/30/46/574033046.db2.gz JZQNSFGBBBLCTQ-ZCFIWIBFSA-N 0 0 159.229 1.225 10 0 ADAERN Cc1nn(CCF)c(C)c1[C@H](C)O 87777161 574033050 /nfs/dbraw/zinc/03/30/50/574033050.db2.gz FFWPRJUXEYCYMV-QMMMGPOBSA-N 0 0 186.230 1.523 10 0 ADAERN CCCc1ccnc(CO)c1 143813973 574033058 /nfs/dbraw/zinc/03/30/58/574033058.db2.gz LWZKEXIYPWXAKM-UHFFFAOYSA-N 0 0 151.209 1.526 10 0 ADAERN C[C@H](O)[C@H](C)CCF 87776986 574033059 /nfs/dbraw/zinc/03/30/59/574033059.db2.gz RNHFFDBHRYNZLY-RITPCOANSA-N 0 0 120.167 1.363 10 0 ADAERN Cc1cc(N[C@H]2CCOC2)ccc1N 87783364 574033094 /nfs/dbraw/zinc/03/30/94/574033094.db2.gz UVMKLPCGTVGASN-JTQLQIEISA-N 0 0 192.262 1.778 10 0 ADAERN CC(=O)c1cnc2cccc(N)n12 143719912 574033096 /nfs/dbraw/zinc/03/30/96/574033096.db2.gz QAGNHIISMCIIBB-UHFFFAOYSA-N 0 0 175.191 1.119 10 0 ADAERN Cc1cc(N)ccc1N[C@H]1CCOC1 87783262 574033102 /nfs/dbraw/zinc/03/31/02/574033102.db2.gz WYFRAAIEPSZADU-JTQLQIEISA-N 0 0 192.262 1.778 10 0 ADAERN O=[S@](CCF)c1ccccc1F 87777436 574033118 /nfs/dbraw/zinc/03/31/18/574033118.db2.gz OEXOWHJEDDALMF-LBPRGKRZSA-N 0 0 190.214 1.903 10 0 ADAERN Cn1c(=O)ccc2ccc(F)c(O)c21 143838354 574033128 /nfs/dbraw/zinc/03/31/28/574033128.db2.gz XLHQCQPQTQQOOY-UHFFFAOYSA-N 0 0 193.177 1.383 10 0 ADAERN Nc1ccccc1[S@@](=O)CCF 87776941 574033130 /nfs/dbraw/zinc/03/31/30/574033130.db2.gz IFHMOMOYAAGSKQ-GFCCVEGCSA-N 0 0 187.239 1.346 10 0 ADAERN CC(C)[C@@H](O)CCCF 87776978 574033167 /nfs/dbraw/zinc/03/31/67/574033167.db2.gz WGXLTCMNXPIWPL-ZETCQYMHSA-N 0 0 134.194 1.753 10 0 ADAERN O[C@H](CCCF)C1CC1 87777033 574033169 /nfs/dbraw/zinc/03/31/69/574033169.db2.gz DYUOFDFSPSSTQR-SSDOTTSWSA-N 0 0 132.178 1.507 10 0 ADAERN CCn1ccnc1[C@@H](O)C[C@H](C)OC 128181482 574033173 /nfs/dbraw/zinc/03/31/73/574033173.db2.gz ACYWGBSRXLYMDN-IUCAKERBSA-N 0 0 198.266 1.361 10 0 ADAERN O[C@H]1CCCC[C@@H]1CCF 87776981 574033174 /nfs/dbraw/zinc/03/31/74/574033174.db2.gz GAKKHLRDCKOQHK-SFYZADRCSA-N 0 0 146.205 1.897 10 0 ADAERN Cc1ccc(-c2nccs2)nn1 143740620 574033180 /nfs/dbraw/zinc/03/31/80/574033180.db2.gz FBSNOALNBJWCLL-UHFFFAOYSA-N 0 0 177.232 1.909 10 0 ADAERN COc1nc2ccc(C)cc2c(=O)[nH]1 143837424 574033198 /nfs/dbraw/zinc/03/31/98/574033198.db2.gz HGCWXMQGVKCDDF-UHFFFAOYSA-N 0 0 190.202 1.240 10 0 ADAERN COC(=O)[C@@H](NC1CC1)C1(C)CCC1 686133506 574033203 /nfs/dbraw/zinc/03/32/03/574033203.db2.gz MTEGKOWPPJHKAM-SECBINFHSA-N 0 0 197.278 1.470 10 0 ADAERN Cc1nn(CCF)c(C)c1[C@@H](C)O 87777160 574033209 /nfs/dbraw/zinc/03/32/09/574033209.db2.gz FFWPRJUXEYCYMV-MRVPVSSYSA-N 0 0 186.230 1.523 10 0 ADAERN CNOCC[C@@H]1CCSC1 258468961 574033231 /nfs/dbraw/zinc/03/32/31/574033231.db2.gz HYVBRFGNGCWXHF-SSDOTTSWSA-N 0 0 161.270 1.281 10 0 ADAERN CC[C@@H]1C(=O)NC[C@@H]1C(C)C 143733984 574033232 /nfs/dbraw/zinc/03/32/32/574033232.db2.gz ZLZZWSOWQCLPPG-JGVFFNPUSA-N 0 0 155.241 1.415 10 0 ADAERN Cc1cc(N[C@@H]2CCOC2)ccc1N 87783361 574033236 /nfs/dbraw/zinc/03/32/36/574033236.db2.gz UVMKLPCGTVGASN-SNVBAGLBSA-N 0 0 192.262 1.778 10 0 ADAERN c1cc([C@H]2NCCCS2)ccn1 85314738 574033241 /nfs/dbraw/zinc/03/32/41/574033241.db2.gz APDSWRXTKZXGDJ-VIFPVBQESA-N 0 0 180.276 1.807 10 0 ADAERN Cn1cc([C@@H]2NCCCS2)cn1 85314865 574033256 /nfs/dbraw/zinc/03/32/56/574033256.db2.gz LJRQGTZDNUYCDN-MRVPVSSYSA-N 0 0 183.280 1.145 10 0 ADAERN O[C@@H]1CCC[C@H]1CCF 87776962 574033286 /nfs/dbraw/zinc/03/32/86/574033286.db2.gz YCQLHCGLHGVYDZ-NKWVEPMBSA-N 0 0 132.178 1.507 10 0 ADAERN CC[C@@H](O)[C@H](C)CCF 87777038 574033287 /nfs/dbraw/zinc/03/32/87/574033287.db2.gz ITUGPPVHVHLRGP-RNFRBKRXSA-N 0 0 134.194 1.753 10 0 ADAERN O=Cc1cccc(-c2ccc[nH]2)n1 143749317 574033298 /nfs/dbraw/zinc/03/32/98/574033298.db2.gz XOBKZSYPCZGOSZ-UHFFFAOYSA-N 0 0 172.187 1.889 10 0 ADAERN CCN(CC)c1ccc(C(=O)OC)o1 259287144 574033306 /nfs/dbraw/zinc/03/33/06/574033306.db2.gz AQXNWRKKASQJIY-UHFFFAOYSA-N 0 0 197.234 1.912 10 0 ADAERN C(=Cc1nc[nH]n1)c1cc[nH]c1 143788604 574033309 /nfs/dbraw/zinc/03/33/09/574033309.db2.gz ZMHPSHYNIFEUTB-OWOJBTEDSA-N 0 0 160.180 1.303 10 0 ADAERN O=[S@@](CCF)c1ccccc1F 87777435 574033314 /nfs/dbraw/zinc/03/33/14/574033314.db2.gz OEXOWHJEDDALMF-GFCCVEGCSA-N 0 0 190.214 1.903 10 0 ADAERN COC1(OC)CCC(C)(CO)CC1 143833136 574033316 /nfs/dbraw/zinc/03/33/16/574033316.db2.gz GMVKSKNWOCWGRQ-UHFFFAOYSA-N 0 0 188.267 1.548 10 0 ADAERN Nc1cc(F)ccc1N[C@H]1CCOC1 87783258 574033322 /nfs/dbraw/zinc/03/33/22/574033322.db2.gz DRDCPXZDMCTBGQ-QMMMGPOBSA-N 0 0 196.225 1.609 10 0 ADAERN Cc1c(N)cccc1N[C@H]1CCOC1 87783417 574033336 /nfs/dbraw/zinc/03/33/36/574033336.db2.gz YZGZPWRITPKHMH-VIFPVBQESA-N 0 0 192.262 1.778 10 0 ADAERN Nc1c(F)cccc1N[C@@H]1CCOC1 87783633 574033342 /nfs/dbraw/zinc/03/33/42/574033342.db2.gz AMXCQJNNLILAAS-SSDOTTSWSA-N 0 0 196.225 1.609 10 0 ADAERN O=[S@@]1CCCN[C@@H](c2ccco2)C1 85315502 574033350 /nfs/dbraw/zinc/03/33/50/574033350.db2.gz QCGXAYNKHBCNLG-OQPBUACISA-N 0 0 199.275 1.063 10 0 ADAERN FCCOc1cccnc1F 87779155 574033352 /nfs/dbraw/zinc/03/33/52/574033352.db2.gz BAUQRECAOOTZDX-UHFFFAOYSA-N 0 0 159.135 1.569 10 0 ADAERN NC(=S)c1nc(Cl)c(Cl)[nH]1 143838910 574033353 /nfs/dbraw/zinc/03/33/53/574033353.db2.gz JEPAAFVLQHMPSW-UHFFFAOYSA-N 0 0 196.062 1.351 10 0 ADAERN c1cc([C@@H]2NCCCS2)ncn1 85314659 574033356 /nfs/dbraw/zinc/03/33/56/574033356.db2.gz HAQHZFYOFASTCV-MRVPVSSYSA-N 0 0 181.264 1.202 10 0 ADAERN O=[S@](CCF)c1ccc(F)cc1 87777439 574033379 /nfs/dbraw/zinc/03/33/79/574033379.db2.gz BKPISQAHUCMJPB-LBPRGKRZSA-N 0 0 190.214 1.903 10 0 ADAERN Cc1c2ccoc(CO)c-2oc1=O 143717978 574033385 /nfs/dbraw/zinc/03/33/85/574033385.db2.gz VDHHUSDJJBSERX-UHFFFAOYSA-N 0 0 180.159 1.138 10 0 ADAERN CC[C@@H]1C[C@H](C)C[C@@H](C(=O)[O-])[NH2+]1 143748202 574033391 /nfs/dbraw/zinc/03/33/91/574033391.db2.gz KNWLGKRMMMCXNY-RNJXMRFFSA-N 0 0 171.240 1.238 10 0 ADAERN Cc1nc(Cl)ncc1NC=O 143756929 574033401 /nfs/dbraw/zinc/03/34/01/574033401.db2.gz JMVOBUYSDUQYQV-UHFFFAOYSA-N 0 0 171.587 1.007 10 0 ADAERN C[C@H](O)[C@@H](C)CCF 87776985 574033419 /nfs/dbraw/zinc/03/34/19/574033419.db2.gz RNHFFDBHRYNZLY-WDSKDSINSA-N 0 0 120.167 1.363 10 0 ADAERN O[C@@H](CCCF)C1CC1 87777034 574033422 /nfs/dbraw/zinc/03/34/22/574033422.db2.gz DYUOFDFSPSSTQR-ZETCQYMHSA-N 0 0 132.178 1.507 10 0 ADAERN O=[S@](CCF)c1cccc(F)c1 87777442 574033447 /nfs/dbraw/zinc/03/34/47/574033447.db2.gz LJWIVBSGDDLDFO-LBPRGKRZSA-N 0 0 190.214 1.903 10 0 ADAERN OC[C@H]1Cc2ccc(Cl)nc2C1 143721748 574033449 /nfs/dbraw/zinc/03/34/49/574033449.db2.gz UBLPNIGKZGWDKN-LURJTMIESA-N 0 0 183.638 1.442 10 0 ADAERN Nc1ccc(N[C@H]2CCOC2)c(F)c1 87783627 574033453 /nfs/dbraw/zinc/03/34/53/574033453.db2.gz ZUBQCCGCQJQRIO-QMMMGPOBSA-N 0 0 196.225 1.609 10 0 ADAERN CC[C@H](O)[C@H](C)CCF 87777037 574033462 /nfs/dbraw/zinc/03/34/62/574033462.db2.gz ITUGPPVHVHLRGP-RQJHMYQMSA-N 0 0 134.194 1.753 10 0 ADAERN C(=Cc1ccon1)c1c[nH]cn1 143800768 574033464 /nfs/dbraw/zinc/03/34/64/574033464.db2.gz QXOTZNZWZDTSHM-OWOJBTEDSA-N 0 0 161.164 1.568 10 0 ADAERN CCn1cncc1[C@@H]1NCCCS1 85314729 574033487 /nfs/dbraw/zinc/03/34/87/574033487.db2.gz GMKZUUYKRWXZSI-SECBINFHSA-N 0 0 197.307 1.628 10 0 ADAERN Cc1ccc(NC(C)(C)CO)nc1 35606551 574033510 /nfs/dbraw/zinc/03/35/10/574033510.db2.gz PRLRYZACOPJTHW-UHFFFAOYSA-N 0 0 180.251 1.573 10 0 ADAERN CCCOC[C@H](O)C[C@H](C)OC 128184936 574033512 /nfs/dbraw/zinc/03/35/12/574033512.db2.gz CNWAFNFPKVRBHA-DTWKUNHWSA-N 0 0 176.256 1.199 10 0 ADAERN O=[S@@](CCF)c1cccc(F)c1 87777441 574033532 /nfs/dbraw/zinc/03/35/32/574033532.db2.gz LJWIVBSGDDLDFO-GFCCVEGCSA-N 0 0 190.214 1.903 10 0 ADAERN Cc1ccc(N[C@@H]2CCOC2)cc1N 87783277 574033534 /nfs/dbraw/zinc/03/35/34/574033534.db2.gz LKMRITWKCJVJNQ-SNVBAGLBSA-N 0 0 192.262 1.778 10 0 ADAERN Cc1ccc(N)c(N[C@@H]2CCOC2)c1 87783621 574033542 /nfs/dbraw/zinc/03/35/42/574033542.db2.gz APBWIAPMRWXLTD-SECBINFHSA-N 0 0 192.262 1.778 10 0 ADAERN Cn1cncc1[C@H]1NCCCS1 85314758 574033571 /nfs/dbraw/zinc/03/35/71/574033571.db2.gz ZNQWNHNDLMMUFW-QMMMGPOBSA-N 0 0 183.280 1.145 10 0 ADAERN c1cnc2c(c1)OCc1c[nH]nc1-2 143778780 574033595 /nfs/dbraw/zinc/03/35/95/574033595.db2.gz PZDBKNMMXWWXMQ-UHFFFAOYSA-N 0 0 173.175 1.364 10 0 ADAERN CC[C@H]1C(=O)NC[C@H]1C(C)C 143733397 574033620 /nfs/dbraw/zinc/03/36/20/574033620.db2.gz ZLZZWSOWQCLPPG-SFYZADRCSA-N 0 0 155.241 1.415 10 0 ADAERN CC[C@H](O)[C@@H](C)CCF 87777035 574033621 /nfs/dbraw/zinc/03/36/21/574033621.db2.gz ITUGPPVHVHLRGP-BQBZGAKWSA-N 0 0 134.194 1.753 10 0 ADAERN C[C@H]1CCC(=O)[C@H]2O[C@@]12C 143711199 574033630 /nfs/dbraw/zinc/03/36/30/574033630.db2.gz HRUVMENDBMQKJL-ARDNSNSESA-N 0 0 140.182 1.143 10 0 ADAERN CC(C)[C@@H](CCF)[C@H](C)O 87777031 574033632 /nfs/dbraw/zinc/03/36/32/574033632.db2.gz RCSBEPDGMNULMA-JGVFFNPUSA-N 0 0 148.221 1.999 10 0 ADAERN CC1(C)CCCc2c1nc(N)[nH]c2=O 143801117 574033634 /nfs/dbraw/zinc/03/36/34/574033634.db2.gz YSSFKZFCKPAUKP-UHFFFAOYSA-N 0 0 193.250 1.378 10 0 ADAERN Nc1ccc(N[C@@H]2CCOC2)c(F)c1 87783625 574033650 /nfs/dbraw/zinc/03/36/50/574033650.db2.gz ZUBQCCGCQJQRIO-MRVPVSSYSA-N 0 0 196.225 1.609 10 0 ADAERN CCC[C@@H](O)CCCF 87776972 574033655 /nfs/dbraw/zinc/03/36/55/574033655.db2.gz GUGSSRSZHJTZGC-SSDOTTSWSA-N 0 0 134.194 1.897 10 0 ADAERN CNOCC[C@H]1CCSC1 258468963 574033659 /nfs/dbraw/zinc/03/36/59/574033659.db2.gz HYVBRFGNGCWXHF-ZETCQYMHSA-N 0 0 161.270 1.281 10 0 ADAERN Cn1cc([C@H]2NCCCS2)cn1 85314866 574033663 /nfs/dbraw/zinc/03/36/63/574033663.db2.gz LJRQGTZDNUYCDN-QMMMGPOBSA-N 0 0 183.280 1.145 10 0 ADAERN Nc1cc(F)cc(N[C@H]2CCOC2)c1 87783393 574033671 /nfs/dbraw/zinc/03/36/71/574033671.db2.gz UHHCFCKLIDNXGJ-VIFPVBQESA-N 0 0 196.225 1.609 10 0 ADAERN COC(=O)[C@H](NC1CC1)C1(C)CCC1 686133510 574033674 /nfs/dbraw/zinc/03/36/74/574033674.db2.gz MTEGKOWPPJHKAM-VIFPVBQESA-N 0 0 197.278 1.470 10 0 ADAERN CCC1([C@H](N)c2ncon2)CCC1 686133540 574033693 /nfs/dbraw/zinc/03/36/93/574033693.db2.gz QFZFHBJTSWHSKY-SSDOTTSWSA-N 0 0 181.239 1.650 10 0 ADAERN Cc1ccc(N)c(N[C@H]2CCOC2)c1 87783623 574033708 /nfs/dbraw/zinc/03/37/08/574033708.db2.gz APBWIAPMRWXLTD-VIFPVBQESA-N 0 0 192.262 1.778 10 0 ADAERN Cc1ccc(N[C@@H]2CCOC2)c(N)c1 87783556 574033719 /nfs/dbraw/zinc/03/37/19/574033719.db2.gz DZSIWUXLJHUULN-SECBINFHSA-N 0 0 192.262 1.778 10 0 ADAERN CCc1c(N)cnn1C(C)(C)C 258468956 574033736 /nfs/dbraw/zinc/03/37/36/574033736.db2.gz HYOMRFIIPHPNDW-UHFFFAOYSA-N 0 0 167.256 1.783 10 0 ADAERN CC(=O)NC(=O)Oc1ccccc1 143840514 574033745 /nfs/dbraw/zinc/03/37/45/574033745.db2.gz HRXJEJZFJIFTPO-UHFFFAOYSA-N 0 0 179.175 1.322 10 0 ADAERN Nc1cc(F)cc(N[C@@H]2CCOC2)c1 87783391 574033746 /nfs/dbraw/zinc/03/37/46/574033746.db2.gz UHHCFCKLIDNXGJ-SECBINFHSA-N 0 0 196.225 1.609 10 0 ADAERN O=[S@]1CCCN[C@@H](c2ccco2)C1 85315500 574033761 /nfs/dbraw/zinc/03/37/61/574033761.db2.gz QCGXAYNKHBCNLG-AMIZOPFISA-N 0 0 199.275 1.063 10 0 ADAERN O=C1CCCCSCC1 143703132 574033778 /nfs/dbraw/zinc/03/37/78/574033778.db2.gz ZSGQKIFSLSBWLR-UHFFFAOYSA-N 0 0 144.239 1.863 10 0 ADAERN Nc1ccccc1[S@](=O)CCF 87776942 574033780 /nfs/dbraw/zinc/03/37/80/574033780.db2.gz IFHMOMOYAAGSKQ-LBPRGKRZSA-N 0 0 187.239 1.346 10 0 ADAERN CCn1ccnc1[C@@H](O)C[C@@H](C)OC 128181003 574033805 /nfs/dbraw/zinc/03/38/05/574033805.db2.gz ACYWGBSRXLYMDN-BDAKNGLRSA-N 0 0 198.266 1.361 10 0 ADAERN Nc1c(F)cccc1N[C@H]1CCOC1 87783635 574033828 /nfs/dbraw/zinc/03/38/28/574033828.db2.gz AMXCQJNNLILAAS-ZETCQYMHSA-N 0 0 196.225 1.609 10 0 ADAERN c1cc([C@@H]2NCCCS2)ccn1 85314737 574033833 /nfs/dbraw/zinc/03/38/33/574033833.db2.gz APDSWRXTKZXGDJ-SECBINFHSA-N 0 0 180.276 1.807 10 0 ADAERN CN(N=O)c1ccc(O)cc1O 143732547 574033837 /nfs/dbraw/zinc/03/38/37/574033837.db2.gz MHPLCRQZLRQPCW-UHFFFAOYSA-N 0 0 168.152 1.215 10 0 ADAERN Cc1ccc(N)cc1N[C@H]1CCOC1 87783524 574033849 /nfs/dbraw/zinc/03/38/49/574033849.db2.gz GHNWRHTVJSEFGI-JTQLQIEISA-N 0 0 192.262 1.778 10 0 ADAERN C[C@@H](O)[C@H](C)CCF 87776984 574033865 /nfs/dbraw/zinc/03/38/65/574033865.db2.gz RNHFFDBHRYNZLY-PHDIDXHHSA-N 0 0 120.167 1.363 10 0 ADAERN CC(C)[C@H](O)CCCF 87776977 574033877 /nfs/dbraw/zinc/03/38/77/574033877.db2.gz WGXLTCMNXPIWPL-SSDOTTSWSA-N 0 0 134.194 1.753 10 0 ADAERN c1cncc([C@@H]2NCCCS2)c1 85314799 574033896 /nfs/dbraw/zinc/03/38/96/574033896.db2.gz MRXPXTMVDBCUCE-SECBINFHSA-N 0 0 180.276 1.807 10 0 ADAERN O=[S@@](CCF)c1ccc(F)cc1 87777438 574033904 /nfs/dbraw/zinc/03/39/04/574033904.db2.gz BKPISQAHUCMJPB-GFCCVEGCSA-N 0 0 190.214 1.903 10 0 ADAERN Cc1ccc(N[C@H]2CCOC2)c(N)c1 87783558 574033919 /nfs/dbraw/zinc/03/39/19/574033919.db2.gz DZSIWUXLJHUULN-VIFPVBQESA-N 0 0 192.262 1.778 10 0 ADAERN CCCC(C)(C)[C@@H]([NH3+])C(=O)[O-] 143792142 574033924 /nfs/dbraw/zinc/03/39/24/574033924.db2.gz JZQNSFGBBBLCTQ-LURJTMIESA-N 0 0 159.229 1.225 10 0 ADAERN Nc1cccc(N[C@H]2CCOC2)c1 87783554 574033940 /nfs/dbraw/zinc/03/39/40/574033940.db2.gz GUPVWEZACYGWGH-JTQLQIEISA-N 0 0 178.235 1.470 10 0 ADAERN CC(=O)c1c(C)nn(CCF)c1C 87777096 574033963 /nfs/dbraw/zinc/03/39/63/574033963.db2.gz TXOUGPKMVLPAFZ-UHFFFAOYSA-N 0 0 184.214 1.672 10 0 ADAERN Cc1cnc(C)c(N[C@@H](C)N(C)C)n1 143776583 574033968 /nfs/dbraw/zinc/03/39/68/574033968.db2.gz HHXWLPSUXWZKDH-SECBINFHSA-N 0 0 194.282 1.413 10 0 ADAERN CCC1([C@@H](N)c2ncon2)CCC1 686133541 574033974 /nfs/dbraw/zinc/03/39/74/574033974.db2.gz QFZFHBJTSWHSKY-ZETCQYMHSA-N 0 0 181.239 1.650 10 0 ADAERN O[C@H]1CCC[C@@H]1CCF 87776963 574033985 /nfs/dbraw/zinc/03/39/85/574033985.db2.gz YCQLHCGLHGVYDZ-RQJHMYQMSA-N 0 0 132.178 1.507 10 0 ADAERN Cc1cc(N)ccc1N[C@@H]1CCOC1 87783260 574033995 /nfs/dbraw/zinc/03/39/95/574033995.db2.gz WYFRAAIEPSZADU-SNVBAGLBSA-N 0 0 192.262 1.778 10 0 ADAERN Cc1nnc(Cl)n1[C@@H]1CCOC1 87789482 574034812 /nfs/dbraw/zinc/03/48/12/574034812.db2.gz JQPPRSNVPJMDJQ-ZCFIWIBFSA-N 0 0 187.630 1.201 10 0 ADAERN Nc1ccc([S@@](=O)CCF)cc1 87776951 574034014 /nfs/dbraw/zinc/03/40/14/574034014.db2.gz LJOJPJZSCNBJQN-GFCCVEGCSA-N 0 0 187.239 1.346 10 0 ADAERN CC(=O)CC[C@H]1C=C[C@@]2(CO2)C1 143722834 574034022 /nfs/dbraw/zinc/03/40/22/574034022.db2.gz 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HAQHZFYOFASTCV-QMMMGPOBSA-N 0 0 181.264 1.202 10 0 ADAERN NC(=O)c1cc2c(s1)CCSC2 87781980 574034164 /nfs/dbraw/zinc/03/41/64/574034164.db2.gz SAPKYEHQWLATBC-UHFFFAOYSA-N 0 0 199.300 1.636 10 0 ADAERN C[C@H](O)CCCF 87776965 574034178 /nfs/dbraw/zinc/03/41/78/574034178.db2.gz RCIXPUGUGPXKBZ-YFKPBYRVSA-N 0 0 106.140 1.117 10 0 ADAERN CCn1ccnc1[C@H](O)C[C@@H](C)OC 128180746 574034183 /nfs/dbraw/zinc/03/41/83/574034183.db2.gz ACYWGBSRXLYMDN-RKDXNWHRSA-N 0 0 198.266 1.361 10 0 ADAERN CC[C@@H](O)CCCF 87776976 574034196 /nfs/dbraw/zinc/03/41/96/574034196.db2.gz NABLMXHNBQISDS-ZCFIWIBFSA-N 0 0 120.167 1.507 10 0 ADAERN CC[C@H](CCF)[C@@H](C)O 87776968 574034200 /nfs/dbraw/zinc/03/42/00/574034200.db2.gz DXULNRRREABPCB-RNFRBKRXSA-N 0 0 134.194 1.753 10 0 ADAERN Nc1cc(F)ccc1N[C@@H]1CCOC1 87783256 574034208 /nfs/dbraw/zinc/03/42/08/574034208.db2.gz DRDCPXZDMCTBGQ-MRVPVSSYSA-N 0 0 196.225 1.609 10 0 ADAERN CC[C@@H](CCF)[C@H](C)O 87776969 574034232 /nfs/dbraw/zinc/03/42/32/574034232.db2.gz 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/nfs/dbraw/zinc/03/43/67/574034367.db2.gz QCGXAYNKHBCNLG-SDBXPKJASA-N 0 0 199.275 1.063 10 0 ADAERN CCn1ccnc1[C@H](O)C[C@H](C)OC 128181239 574034370 /nfs/dbraw/zinc/03/43/70/574034370.db2.gz ACYWGBSRXLYMDN-DTWKUNHWSA-N 0 0 198.266 1.361 10 0 ADAERN CC(=O)Cc1cccc(C[C@H](C)O)c1 259288618 574034371 /nfs/dbraw/zinc/03/43/71/574034371.db2.gz BXUUWTKFTRFTLV-VIFPVBQESA-N 0 0 192.258 1.741 10 0 ADAERN COCc1ccc2ncoc2c1 259288289 574034372 /nfs/dbraw/zinc/03/43/72/574034372.db2.gz JPSYTZJBFBIKAL-UHFFFAOYSA-N 0 0 163.176 1.974 10 0 ADAERN OCC1(c2ccc[nH]2)CC1 259288701 574034375 /nfs/dbraw/zinc/03/43/75/574034375.db2.gz PRNYAWYAOFLXIT-UHFFFAOYSA-N 0 0 137.182 1.039 10 0 ADAERN O=[S@]1CCCN[C@H](c2ccco2)C1 85315499 574034380 /nfs/dbraw/zinc/03/43/80/574034380.db2.gz QCGXAYNKHBCNLG-ISVAXAHUSA-N 0 0 199.275 1.063 10 0 ADAERN CCCCN1C(=O)C[C@H](CO)[C@@H]1C 259288304 574034384 /nfs/dbraw/zinc/03/43/84/574034384.db2.gz GVZGUOUHENBPAQ-DTWKUNHWSA-N 0 0 185.267 1.016 10 0 ADAERN CC(=O)CC[C@@H](C)O 100216760 574034397 /nfs/dbraw/zinc/03/43/97/574034397.db2.gz AFALXOCQEVQFBH-MXTDHUQFSA-N 0 0 116.160 1.219 10 0 ADAERN CCCOC[C@@H](O)C[C@@H](C)OC 128184674 574034405 /nfs/dbraw/zinc/03/44/05/574034405.db2.gz CNWAFNFPKVRBHA-BDAKNGLRSA-N 0 0 176.256 1.199 10 0 ADAERN CCCCCN[C@@H](C)C(=O)OCC 49370510 574034406 /nfs/dbraw/zinc/03/44/06/574034406.db2.gz VQIIWUPMWYZAMR-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN CC[C@H](CO)Cc1cccnc1 259288229 574034415 /nfs/dbraw/zinc/03/44/15/574034415.db2.gz JPMNDKOEXDUWJH-VIFPVBQESA-N 0 0 165.236 1.643 10 0 ADAERN NN[C@H](N)c1csc2ccccc12 259289422 574034437 /nfs/dbraw/zinc/03/44/37/574034437.db2.gz HREXEQIGXHDJGK-VIFPVBQESA-N 0 0 193.275 1.322 10 0 ADAERN CCc1n[nH]c(=S)n1[C@H]1CCOC1 87788498 574034441 /nfs/dbraw/zinc/03/44/41/574034441.db2.gz ZKJXCCZZMWOIQG-LURJTMIESA-N 0 0 199.279 1.464 10 0 ADAERN CC(=O)Cc1cccc(C[C@@H](C)O)c1 259288611 574034456 /nfs/dbraw/zinc/03/44/56/574034456.db2.gz BXUUWTKFTRFTLV-SECBINFHSA-N 0 0 192.258 1.741 10 0 ADAERN c1ccc([C@H]2NCCCS2)nc1 85314770 574034458 /nfs/dbraw/zinc/03/44/58/574034458.db2.gz MUTMGOHLAZJVGK-VIFPVBQESA-N 0 0 180.276 1.807 10 0 ADAERN COc1ccc(C)cc1SN 259290110 574034472 /nfs/dbraw/zinc/03/44/72/574034472.db2.gz SPMYKFOMDUILNA-UHFFFAOYSA-N 0 0 169.249 1.969 10 0 ADAERN CCn1cncc1[C@H]1NCCCS1 85314730 574034495 /nfs/dbraw/zinc/03/44/95/574034495.db2.gz GMKZUUYKRWXZSI-VIFPVBQESA-N 0 0 197.307 1.628 10 0 ADAERN CC[C@@H](CO)Cc1cccnc1 259288224 574034512 /nfs/dbraw/zinc/03/45/12/574034512.db2.gz JPMNDKOEXDUWJH-SECBINFHSA-N 0 0 165.236 1.643 10 0 ADAERN COCO[C@@H](CO)Cc1ccccc1 214558141 574034514 /nfs/dbraw/zinc/03/45/14/574034514.db2.gz JLNIGNRXYGLVQY-LLVKDONJSA-N 0 0 196.246 1.211 10 0 ADAERN Clc1cc(N[C@H]2CCOC2)ncn1 87788731 574034521 /nfs/dbraw/zinc/03/45/21/574034521.db2.gz DUQOJPNXFHKDGK-LURJTMIESA-N 0 0 199.641 1.331 10 0 ADAERN C[C@H]1CNc2c(N)cccc2N(C)C1 259290306 574034531 /nfs/dbraw/zinc/03/45/31/574034531.db2.gz QBYWWHRFFKYKMV-QMMMGPOBSA-N 0 0 191.278 1.767 10 0 ADAERN Clc1ncnnc1C1CCC1 259288992 574034536 /nfs/dbraw/zinc/03/45/36/574034536.db2.gz RVXXMPREXFQJFP-UHFFFAOYSA-N 0 0 169.615 1.793 10 0 ADAERN C[C@@]1(CNC#N)CCCS1 87793626 574034547 /nfs/dbraw/zinc/03/45/47/574034547.db2.gz HIQSELCFYGLDTB-ZETCQYMHSA-N 0 0 156.254 1.343 10 0 ADAERN Cc1cc(C=O)c(C)n1[C@H]1CCOC1 87787518 574034574 /nfs/dbraw/zinc/03/45/74/574034574.db2.gz DKDRCTUCPGSQRL-NSHDSACASA-N 0 0 193.246 1.879 10 0 ADAERN COc1cc(N)cc(N[C@@H](C)CO)c1 87793599 574034596 /nfs/dbraw/zinc/03/45/96/574034596.db2.gz LCNLSZSKNSTCOD-ZETCQYMHSA-N 0 0 196.250 1.070 10 0 ADAERN CCC[C@H](OCC)C(=O)COC 131830558 574034603 /nfs/dbraw/zinc/03/46/03/574034603.db2.gz UACTYQBABUOKHM-VIFPVBQESA-N 0 0 174.240 1.407 10 0 ADAERN CCc1n[nH]c(=S)n1[C@@H]1CCOC1 87788496 574034608 /nfs/dbraw/zinc/03/46/08/574034608.db2.gz ZKJXCCZZMWOIQG-ZCFIWIBFSA-N 0 0 199.279 1.464 10 0 ADAERN CCOC(=O)[C@H](C)N[C@@H](C)C1(C)CC1 49369611 574034618 /nfs/dbraw/zinc/03/46/18/574034618.db2.gz XUHORQUJSXANHM-IUCAKERBSA-N 0 0 199.294 1.716 10 0 ADAERN S=c1[nH]ccn1[C@@H]1CCOC1 87788470 574034622 /nfs/dbraw/zinc/03/46/22/574034622.db2.gz HUWLTFSULCGDEG-ZCFIWIBFSA-N 0 0 170.237 1.507 10 0 ADAERN CC1([C@@H]2COC(N)=N2)CCC1 686133582 574034626 /nfs/dbraw/zinc/03/46/26/574034626.db2.gz PZSDECKVCWCODR-LURJTMIESA-N 0 0 154.213 1.100 10 0 ADAERN CCCn1ncc2c(N)nc(C)nc21 87792629 574034631 /nfs/dbraw/zinc/03/46/31/574034631.db2.gz SNKCSBXFWGVAKB-UHFFFAOYSA-N 0 0 191.238 1.127 10 0 ADAERN CCOc1cc(N)cc(NC)c1 87792945 574034637 /nfs/dbraw/zinc/03/46/37/574034637.db2.gz MEMFNJJKUJTTDH-UHFFFAOYSA-N 0 0 166.224 1.709 10 0 ADAERN CCCCN1C(=O)C[C@H](CO)[C@H]1C 259288314 574034690 /nfs/dbraw/zinc/03/46/90/574034690.db2.gz GVZGUOUHENBPAQ-RKDXNWHRSA-N 0 0 185.267 1.016 10 0 ADAERN CCOc1cc(N)cc(N(C)C)c1 87792797 574034728 /nfs/dbraw/zinc/03/47/28/574034728.db2.gz MVSUTOZXKNNICS-UHFFFAOYSA-N 0 0 180.251 1.734 10 0 ADAERN C[C@]1(C[NH2+]CCF)CCCS1 87793360 574034747 /nfs/dbraw/zinc/03/47/47/574034747.db2.gz NSNBSGNPFBNKIF-MRVPVSSYSA-N 0 0 177.288 1.831 10 0 ADAERN CNC(=O)Nc1ccc2[nH]cnc2c1 197915133 574034750 /nfs/dbraw/zinc/03/47/50/574034750.db2.gz CGPIRRSNMJQDDK-UHFFFAOYSA-N 0 0 190.206 1.314 10 0 ADAERN Cl/C=C(/Cl)CN[C@@H]1CCOC1 87786057 574034752 /nfs/dbraw/zinc/03/47/52/574034752.db2.gz MWLJRDMHXGHORR-XUTFHDRNSA-N 0 0 196.077 1.684 10 0 ADAERN C[C@@H]1CCS[C@H](c2cncn2C)N1 85318640 574034754 /nfs/dbraw/zinc/03/47/54/574034754.db2.gz OXALIZMBBUIHBT-VXNVDRBHSA-N 0 0 197.307 1.534 10 0 ADAERN CC(=O)NCC[C@@H]1CCC2(CCC2)O1 716961427 574034758 /nfs/dbraw/zinc/03/47/58/574034758.db2.gz XJFNLROIHFHEGK-JTQLQIEISA-N 0 0 197.278 1.614 10 0 ADAERN Oc1ccc(OC[C@H](O)C2CC2)cc1 258469374 574034760 /nfs/dbraw/zinc/03/47/60/574034760.db2.gz YEUDASLRRCBELB-NSHDSACASA-N 0 0 194.230 1.542 10 0 ADAERN C[C@H]1CCS[C@@H](c2cncn2C)N1 85318643 574034780 /nfs/dbraw/zinc/03/47/80/574034780.db2.gz OXALIZMBBUIHBT-CBAPKCEASA-N 0 0 197.307 1.534 10 0 ADAERN COC(=O)C(C)(C)CC1COC1 258469919 574034785 /nfs/dbraw/zinc/03/47/85/574034785.db2.gz AFRDTHAWXQEGGM-UHFFFAOYSA-N 0 0 172.224 1.222 10 0 ADAERN CCOC(=O)[C@H](C)Nc1ccncc1 49374410 574034809 /nfs/dbraw/zinc/03/48/09/574034809.db2.gz JZVAWTLMRHDCCH-QMMMGPOBSA-N 0 0 194.234 1.445 10 0 ADAERN CO[C@@H](C)C[C@@H](O)c1cncc(F)c1 128231556 574039976 /nfs/dbraw/zinc/03/99/76/574039976.db2.gz OWJXHYMZQQSGAP-OIBJUYFYSA-N 0 0 199.225 1.679 10 0 ADAERN CC[C@@H](C[C@H]1CCC2(CCC2)O1)NN 716976425 574039150 /nfs/dbraw/zinc/03/91/50/574039150.db2.gz JIWFEUXMRDTQGM-VHSXEESVSA-N 0 0 198.310 1.720 10 0 ADAERN OC[C@@H](c1ccc(F)cc1)C1COC1 258470110 574039159 /nfs/dbraw/zinc/03/91/59/574039159.db2.gz AJCULNLDSJPPCD-NSHDSACASA-N 0 0 196.221 1.548 10 0 ADAERN CC[C@@H](C[C@@H]1CCC2(CCC2)O1)NN 716976424 574039175 /nfs/dbraw/zinc/03/91/75/574039175.db2.gz JIWFEUXMRDTQGM-UWVGGRQHSA-N 0 0 198.310 1.720 10 0 ADAERN CCNc1cc(N(C)CC)ncn1 87808742 574039180 /nfs/dbraw/zinc/03/91/80/574039180.db2.gz WDDKEMUBBWJMGE-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN CCC[C@@H](C)[C@H]1CC(=O)NC1=O 112557557 574039188 /nfs/dbraw/zinc/03/91/88/574039188.db2.gz CKCABHBZOQBGLF-RNFRBKRXSA-N 0 0 169.224 1.085 10 0 ADAERN CCC=C=C[C@H](C)CO 197938915 574039201 /nfs/dbraw/zinc/03/92/01/574039201.db2.gz BKBWSABQMAUSBD-DWHDZERNSA-N 0 0 126.199 1.736 10 0 ADAERN CCN(c1cncc(NC)n1)C1CC1 87808828 574039236 /nfs/dbraw/zinc/03/92/36/574039236.db2.gz GZHIKMYLGGFVJB-UHFFFAOYSA-N 0 0 192.266 1.507 10 0 ADAERN O=C1C[C@H](C2CCCCCC2)C(=O)N1 112557556 574039250 /nfs/dbraw/zinc/03/92/50/574039250.db2.gz KPOWJCFZTVJXKQ-SECBINFHSA-N 0 0 195.262 1.620 10 0 ADAERN CCC[C@@H](C)Nc1ncnc(N)c1C 87807703 574039257 /nfs/dbraw/zinc/03/92/57/574039257.db2.gz HSUFYBHOGQVWCH-SSDOTTSWSA-N 0 0 194.282 1.968 10 0 ADAERN CCc1c(N)ncnc1NCC1CC1 87807564 574039977 /nfs/dbraw/zinc/03/99/77/574039977.db2.gz WBLRLZMNXWODJO-UHFFFAOYSA-N 0 0 192.266 1.443 10 0 ADAERN CN(c1nc(N)ncc1Cl)C1CC1 87808907 574040010 /nfs/dbraw/zinc/04/00/10/574040010.db2.gz IQGNOARSMKQUOK-UHFFFAOYSA-N 0 0 198.657 1.311 10 0 ADAERN CC[C@@H](C)N(C)c1nc(N)ncc1F 87809308 574040016 /nfs/dbraw/zinc/04/00/16/574040016.db2.gz XCLBBSCQXGPYDQ-ZCFIWIBFSA-N 0 0 198.245 1.433 10 0 ADAERN CC(C)CCN1C(=O)C[C@H](CO)[C@@H]1C 259294266 574040017 /nfs/dbraw/zinc/04/00/17/574040017.db2.gz HESZRJICMOTQKS-VHSXEESVSA-N 0 0 199.294 1.262 10 0 ADAERN c1ccc2c(c1)C[C@H]2Nc1cnccn1 393610704 574039262 /nfs/dbraw/zinc/03/92/62/574039262.db2.gz OKEHBCGRDXVOTI-LLVKDONJSA-N 0 0 197.241 1.608 10 0 ADAERN Cc1c(N)ncnc1N(C)CC(C)C 87809273 574039277 /nfs/dbraw/zinc/03/92/77/574039277.db2.gz SIZIYFPQWDJPQB-UHFFFAOYSA-N 0 0 194.282 1.459 10 0 ADAERN Nc1cccnc1N[C@@H]1C[C@H]1C1CC1 716981073 574039299 /nfs/dbraw/zinc/03/92/99/574039299.db2.gz ZWPZWHNPFXZXKZ-WCBMZHEXSA-N 0 0 189.262 1.874 10 0 ADAERN CC[C@H](C)N(C)c1ccnc(N)n1 87809411 574039318 /nfs/dbraw/zinc/03/93/18/574039318.db2.gz MKHZCHFQOGTCNU-ZETCQYMHSA-N 0 0 180.255 1.294 10 0 ADAERN C[C@@H](C1CCCC1)[C@@H]1CC(=O)NC1=O 112557498 574039320 /nfs/dbraw/zinc/03/93/20/574039320.db2.gz XDKADBNDOLXEOP-CBAPKCEASA-N 0 0 195.262 1.475 10 0 ADAERN CC[C@H](C)N(C)c1nc(N)ncc1F 87809309 574039334 /nfs/dbraw/zinc/03/93/34/574039334.db2.gz XCLBBSCQXGPYDQ-LURJTMIESA-N 0 0 198.245 1.433 10 0 ADAERN CCNc1nccc(N(C)C2CC2)n1 87808911 574039375 /nfs/dbraw/zinc/03/93/75/574039375.db2.gz KTQQCDKKZZROMK-UHFFFAOYSA-N 0 0 192.266 1.507 10 0 ADAERN CCNc1nc(N)ncc1Cl 87807449 574039391 /nfs/dbraw/zinc/03/93/91/574039391.db2.gz QLXHYFIKIIKSPH-UHFFFAOYSA-N 0 0 172.619 1.144 10 0 ADAERN C[C@@H](c1ccco1)[C@H]1CC(=O)NC1=O 112557565 574039400 /nfs/dbraw/zinc/03/94/00/574039400.db2.gz TYIAOWXQHVENLP-RNFRBKRXSA-N 0 0 193.202 1.046 10 0 ADAERN C[C@@H]1CN[C@H](c2ccncn2)SC1 85337725 574039402 /nfs/dbraw/zinc/03/94/02/574039402.db2.gz BYDNESSDEBULOA-APPZFPTMSA-N 0 0 195.291 1.448 10 0 ADAERN CC[C@H](C)N(C)c1ccnc(NC)n1 87809407 574039412 /nfs/dbraw/zinc/03/94/12/574039412.db2.gz DDNMZWNDVHQQPA-QMMMGPOBSA-N 0 0 194.282 1.753 10 0 ADAERN O=C1C[C@H](CC2CCCCC2)C(=O)N1 112557515 574039425 /nfs/dbraw/zinc/03/94/25/574039425.db2.gz FPXDJEXXQPLLHA-VIFPVBQESA-N 0 0 195.262 1.620 10 0 ADAERN Cc1cnc(N)nc1N(C)CC(C)C 87809286 574039435 /nfs/dbraw/zinc/03/94/35/574039435.db2.gz XAOMKRLXIQBJKJ-UHFFFAOYSA-N 0 0 194.282 1.459 10 0 ADAERN CNc1ncc(C)c(N(C)C2CC2)n1 87808901 574039441 /nfs/dbraw/zinc/03/94/41/574039441.db2.gz ZYWZDLPLXCZSCB-UHFFFAOYSA-N 0 0 192.266 1.425 10 0 ADAERN CCC(CC)[C@H]1CC(=O)NC1=O 112557386 574039444 /nfs/dbraw/zinc/03/94/44/574039444.db2.gz PKEQKCUMEFPNRI-SSDOTTSWSA-N 0 0 169.224 1.085 10 0 ADAERN Nc1ncc(F)c(NCC2CC2)n1 87807549 574039447 /nfs/dbraw/zinc/03/94/47/574039447.db2.gz UFOLCKKHMDGTDQ-UHFFFAOYSA-N 0 0 182.202 1.020 10 0 ADAERN CCCCC(=O)N1C[C@@H](O)CC1(C)C 259293173 574039448 /nfs/dbraw/zinc/03/94/48/574039448.db2.gz VSZNSLPFLXCLKF-VIFPVBQESA-N 0 0 199.294 1.548 10 0 ADAERN CCNc1nc(NC)cn2ccnc12 87807429 574039457 /nfs/dbraw/zinc/03/94/57/574039457.db2.gz OAONCSOYKSMPCQ-UHFFFAOYSA-N 0 0 191.238 1.203 10 0 ADAERN CNc1cncc(N(C)C2CC2)n1 87808897 574039460 /nfs/dbraw/zinc/03/94/60/574039460.db2.gz CAJRFZHLVKMCBQ-UHFFFAOYSA-N 0 0 178.239 1.117 10 0 ADAERN CC1CCC(N2C(=O)CNC2=O)CC1 197933300 574039483 /nfs/dbraw/zinc/03/94/83/574039483.db2.gz DXSUHHBPPKOBMT-UHFFFAOYSA-N 0 0 196.250 1.117 10 0 ADAERN CC(=O)[C@H]1C=C[C@@H](F)C(=O)C1 100220531 574039488 /nfs/dbraw/zinc/03/94/88/574039488.db2.gz ZKCBDSPRXFFKMJ-NKWVEPMBSA-N 0 0 156.156 1.541 10 0 ADAERN O=C1C[C@H](C2CCCCC2)C(=O)N1 112557525 574039517 /nfs/dbraw/zinc/03/95/17/574039517.db2.gz BZXHUIFWSBTDQK-MRVPVSSYSA-N 0 0 181.235 1.229 10 0 ADAERN CCN(CC(C)C)c1ccnc(N)n1 87809448 574039518 /nfs/dbraw/zinc/03/95/18/574039518.db2.gz KWMWHGPHXIBUDG-UHFFFAOYSA-N 0 0 194.282 1.541 10 0 ADAERN CCCCC(=O)N1C[C@H](O)CC1(C)C 259293170 574039549 /nfs/dbraw/zinc/03/95/49/574039549.db2.gz VSZNSLPFLXCLKF-SECBINFHSA-N 0 0 199.294 1.548 10 0 ADAERN CCc1c(NC)ncnc1N(C)CC 87808733 574039561 /nfs/dbraw/zinc/03/95/61/574039561.db2.gz JIXVDLDQSRNSIM-UHFFFAOYSA-N 0 0 194.282 1.537 10 0 ADAERN CCc1c(N)ncnc1N(C)C1CC1 87808869 574039577 /nfs/dbraw/zinc/03/95/77/574039577.db2.gz UYMOAJSDICIDQV-UHFFFAOYSA-N 0 0 192.266 1.220 10 0 ADAERN CCNc1ncc(C)c(N(C)CC)n1 87808788 574039612 /nfs/dbraw/zinc/03/96/12/574039612.db2.gz KCBJRLXYNZNQNX-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN CC[C@H](C)N(C)c1cc(NC)ncn1 87809337 574039635 /nfs/dbraw/zinc/03/96/35/574039635.db2.gz BDRBGFZNIFEOHI-QMMMGPOBSA-N 0 0 194.282 1.753 10 0 ADAERN Cc1nncn1C(C)C 112702198 574039637 /nfs/dbraw/zinc/03/96/37/574039637.db2.gz KGCNLBVLSSGSSA-UHFFFAOYSA-N 0 0 125.175 1.167 10 0 ADAERN C[C@@H]([C@H]1CC(=O)NC1=O)C(C)(C)C 112557255 574039649 /nfs/dbraw/zinc/03/96/49/574039649.db2.gz PVPZCVGBWXPUNI-NKWVEPMBSA-N 0 0 183.251 1.331 10 0 ADAERN CCCN(C)c1nc(NC)ncc1F 87809192 574039653 /nfs/dbraw/zinc/03/96/53/574039653.db2.gz FCBOASZWHHRPEX-UHFFFAOYSA-N 0 0 198.245 1.504 10 0 ADAERN Nc1nccc(NCC(F)(F)F)n1 87808140 574039657 /nfs/dbraw/zinc/03/96/57/574039657.db2.gz XWKVLUHFSIBDER-UHFFFAOYSA-N 0 0 192.144 1.033 10 0 ADAERN CC[C@@H](C)C[C@H]1CC(=O)NC1=O 112557354 574039679 /nfs/dbraw/zinc/03/96/79/574039679.db2.gz YAVUEJOHGUMQFJ-RQJHMYQMSA-N 0 0 169.224 1.085 10 0 ADAERN Nc1ncc(Cl)c(NCC2CC2)n1 87807602 574039690 /nfs/dbraw/zinc/03/96/90/574039690.db2.gz IZGSDEPUBLGJJZ-UHFFFAOYSA-N 0 0 198.657 1.534 10 0 ADAERN CCNc1nccc(NCC2CC2)n1 87807606 574039755 /nfs/dbraw/zinc/03/97/55/574039755.db2.gz ZVTVGILQAIEEFQ-UHFFFAOYSA-N 0 0 192.266 1.730 10 0 ADAERN CCN(c1ccnc(NC)n1)C1CC1 87808845 574039801 /nfs/dbraw/zinc/03/98/01/574039801.db2.gz ZAMNVSFZSXEZDF-UHFFFAOYSA-N 0 0 192.266 1.507 10 0 ADAERN CCCN(C)c1nc(NC)ncc1C 87809218 574039808 /nfs/dbraw/zinc/03/98/08/574039808.db2.gz AYACGRBUUBEGKQ-UHFFFAOYSA-N 0 0 194.282 1.673 10 0 ADAERN C[NH2+][C@@H](C(C)C)[C@@H](C)CC(=O)[O-] 259293982 574039827 /nfs/dbraw/zinc/03/98/27/574039827.db2.gz IUKNRAKZMOJLPP-CBAPKCEASA-N 0 0 173.256 1.341 10 0 ADAERN CC(C)CCNc1nc(N)ncc1F 87808012 574039853 /nfs/dbraw/zinc/03/98/53/574039853.db2.gz CMEAUZYLCVOVBX-UHFFFAOYSA-N 0 0 198.245 1.656 10 0 ADAERN CCN(C)c1nc(NC)ncc1F 87808725 574039856 /nfs/dbraw/zinc/03/98/56/574039856.db2.gz AZJRHYDQLZAMBH-UHFFFAOYSA-N 0 0 184.218 1.114 10 0 ADAERN CCCc1c(N)ncnc1NCC 87807432 574039878 /nfs/dbraw/zinc/03/98/78/574039878.db2.gz JLOGTJODUUMOKL-UHFFFAOYSA-N 0 0 180.255 1.443 10 0 ADAERN Cc1cnc(N)nc1NCC1CC1 87807601 574039890 /nfs/dbraw/zinc/03/98/90/574039890.db2.gz XTUHFKCXPJTCGF-UHFFFAOYSA-N 0 0 178.239 1.189 10 0 ADAERN CCCN(C)c1ccnc(NC)n1 87809240 574039923 /nfs/dbraw/zinc/03/99/23/574039923.db2.gz DAVKSKDTMFMDFD-UHFFFAOYSA-N 0 0 180.255 1.365 10 0 ADAERN C[NH2+][C@H](C(C)C)[C@H](C)CC(=O)[O-] 259293988 574039935 /nfs/dbraw/zinc/03/99/35/574039935.db2.gz IUKNRAKZMOJLPP-VXNVDRBHSA-N 0 0 173.256 1.341 10 0 ADAERN CNc1nccc(N[C@H]2C[C@H]2C)n1 87827728 574043937 /nfs/dbraw/zinc/04/39/37/574043937.db2.gz OVJTZTWJDNVOGI-RQJHMYQMSA-N 0 0 178.239 1.339 10 0 ADAERN C[C@@H](O)c1ncc(Cl)s1 85352310 574043945 /nfs/dbraw/zinc/04/39/45/574043945.db2.gz WHMUWJPXMSBBIB-GSVOUGTGSA-N 0 0 163.629 1.850 10 0 ADAERN CCNc1cc(NC2CCC2)ncn1 87827102 574043950 /nfs/dbraw/zinc/04/39/50/574043950.db2.gz GWOYFQCRUBFOEU-UHFFFAOYSA-N 0 0 192.266 1.873 10 0 ADAERN CNc1cncc(NCCSC)n1 87830602 574043961 /nfs/dbraw/zinc/04/39/61/574043961.db2.gz GTMPVZCGGVPYFF-UHFFFAOYSA-N 0 0 198.295 1.293 10 0 ADAERN CNc1nccc(NCC(C)(C)C)n1 87820694 574043971 /nfs/dbraw/zinc/04/39/71/574043971.db2.gz QMSRLBBYDCNKHW-UHFFFAOYSA-N 0 0 194.282 1.976 10 0 ADAERN Cc1cnc2c(ccn2C)c1 112992640 574043975 /nfs/dbraw/zinc/04/39/75/574043975.db2.gz RZHWIOWSRYXYAY-UHFFFAOYSA-N 0 0 146.193 1.882 10 0 ADAERN CNc1cncc(N[C@H]2C[C@H]2C)n1 87827527 574043988 /nfs/dbraw/zinc/04/39/88/574043988.db2.gz CAQZLCIPHWNOBS-RQJHMYQMSA-N 0 0 178.239 1.339 10 0 ADAERN CNc1ncc(F)c(N[C@H]2C[C@H]2C)n1 87827356 574044001 /nfs/dbraw/zinc/04/40/01/574044001.db2.gz AIHQJBREKNPIEY-VDTYLAMSSA-N 0 0 196.229 1.478 10 0 ADAERN CNCC(=O)OCCc1cccs1 49585041 574044003 /nfs/dbraw/zinc/04/40/03/574044003.db2.gz MAMBPBRMILLGBP-UHFFFAOYSA-N 0 0 199.275 1.053 10 0 ADAERN CC[C@H](C)CNc1ccnc(NC)n1 87828288 574044004 /nfs/dbraw/zinc/04/40/04/574044004.db2.gz CSDYCOBAQSMHKP-QMMMGPOBSA-N 0 0 194.282 1.976 10 0 ADAERN C[C@@H]1CCCN1c1nc(N)ncc1F 87820071 574044013 /nfs/dbraw/zinc/04/40/13/574044013.db2.gz MEQUWIYGAPLECN-ZCFIWIBFSA-N 0 0 196.229 1.187 10 0 ADAERN COc1cc2ccoc2cc1CCO 112996133 574044021 /nfs/dbraw/zinc/04/40/21/574044021.db2.gz DZABBQPXUSIUBQ-UHFFFAOYSA-N 0 0 192.214 1.976 10 0 ADAERN C[C@@H]1c2c(O)cccc2CC[C@@H]1O 259299011 574044031 /nfs/dbraw/zinc/04/40/31/574044031.db2.gz NDAFWSULRFYSIJ-CBAPKCEASA-N 0 0 178.231 1.803 10 0 ADAERN CCc1ccncc1C(C)(C)O 259299019 574044033 /nfs/dbraw/zinc/04/40/33/574044033.db2.gz NDDZLIFFRZZLSI-UHFFFAOYSA-N 0 0 165.236 1.871 10 0 ADAERN CNc1nccc(N[C@H]2C[C@@H]2C)n1 87827730 574044054 /nfs/dbraw/zinc/04/40/54/574044054.db2.gz OVJTZTWJDNVOGI-BQBZGAKWSA-N 0 0 178.239 1.339 10 0 ADAERN COC(=O)c1oc(C(C)=O)cc1C 112987439 574044062 /nfs/dbraw/zinc/04/40/62/574044062.db2.gz MGKSKVOYVQQZHA-UHFFFAOYSA-N 0 0 182.175 1.577 10 0 ADAERN Cc1ccc(N2CCCC2=O)nc1 112992665 574044077 /nfs/dbraw/zinc/04/40/77/574044077.db2.gz YMPSKSVMOMAWAV-UHFFFAOYSA-N 0 0 176.219 1.517 10 0 ADAERN CCC(C)(C)N(C)c1cc(N)ncn1 87830526 574044091 /nfs/dbraw/zinc/04/40/91/574044091.db2.gz WTGMISFUAZCRHY-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN c1cc2c(s1)OCCO2 112984452 574044099 /nfs/dbraw/zinc/04/40/99/574044099.db2.gz YMMGRPLNZPTZBS-UHFFFAOYSA-N 0 0 142.179 1.519 10 0 ADAERN Cc1c(N)ncnc1N[C@H]1C[C@H]1C 87827464 574044101 /nfs/dbraw/zinc/04/41/01/574044101.db2.gz IUPDSIHMBBOHSZ-VDTYLAMSSA-N 0 0 178.239 1.188 10 0 ADAERN CCOC[C@H](O)C[C@@H]1CCCCO1 128249244 574044106 /nfs/dbraw/zinc/04/41/06/574044106.db2.gz MIHUXVOOOPGLHP-ZJUUUORDSA-N 0 0 188.267 1.343 10 0 ADAERN C[C@@H](Nc1nc(N)ncc1F)C1CC1 87811804 574044107 /nfs/dbraw/zinc/04/41/07/574044107.db2.gz PMSXYVZNCRSBSD-RXMQYKEDSA-N 0 0 196.229 1.408 10 0 ADAERN CCCC[C@H](O)[C@H]1O[C@@H]1C 112999108 574044112 /nfs/dbraw/zinc/04/41/12/574044112.db2.gz SEHZTEMYUSPLDG-CSMHCCOUSA-N 0 0 144.214 1.325 10 0 ADAERN CCOC[C@@H](O)C[C@H]1CCCCO1 128249945 574044135 /nfs/dbraw/zinc/04/41/35/574044135.db2.gz MIHUXVOOOPGLHP-VHSXEESVSA-N 0 0 188.267 1.343 10 0 ADAERN Cc1cnc(N)nc1N1CC[C@H](C)C1 87820909 574044137 /nfs/dbraw/zinc/04/41/37/574044137.db2.gz NDSACDHTEHXRGZ-ZETCQYMHSA-N 0 0 192.266 1.213 10 0 ADAERN Nc1nc(Cl)nc(NC2CCC2)n1 87827061 574044142 /nfs/dbraw/zinc/04/41/42/574044142.db2.gz NTAHPORHAPXFRI-UHFFFAOYSA-N 0 0 199.645 1.072 10 0 ADAERN Cc1oc(C=O)nc1C1CC1 258470555 574044169 /nfs/dbraw/zinc/04/41/69/574044169.db2.gz IFQDAIXBFYQYAF-UHFFFAOYSA-N 0 0 151.165 1.673 10 0 ADAERN CSCCNc1ncnc(N)c1C 87830593 574044172 /nfs/dbraw/zinc/04/41/72/574044172.db2.gz JMDUOZTXDSOZTE-UHFFFAOYSA-N 0 0 198.295 1.142 10 0 ADAERN COC(CSC(C)C)OC 85351719 574044174 /nfs/dbraw/zinc/04/41/74/574044174.db2.gz GWBCDFDIIXDGKA-UHFFFAOYSA-N 0 0 164.270 1.747 10 0 ADAERN CCc1c(N)ncnc1NC1CCC1 87827063 574044179 /nfs/dbraw/zinc/04/41/79/574044179.db2.gz WSLXDBOLQKVTAI-UHFFFAOYSA-N 0 0 192.266 1.586 10 0 ADAERN CCc1ccc(OC)c([C@H]([NH3+])OC)c1 259297591 574044184 /nfs/dbraw/zinc/04/41/84/574044184.db2.gz HYZSVWYFXBNNTF-LLVKDONJSA-N 0 0 195.262 1.861 10 0 ADAERN CC1(C)CCCN1c1ccnc(N)n1 87829207 574044186 /nfs/dbraw/zinc/04/41/86/574044186.db2.gz MTUHEEZTATUUID-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN CNc1nccc(N[C@H](C)C2CC2)n1 87811998 574044201 /nfs/dbraw/zinc/04/42/01/574044201.db2.gz QDBUWLAFEAEDRK-SSDOTTSWSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1nc(N)ncc1Cl 87827604 574044210 /nfs/dbraw/zinc/04/42/10/574044210.db2.gz QHERBOFFFAPIMG-XINAWCOVSA-N 0 0 198.657 1.533 10 0 ADAERN CNc1cncc(N[C@H]2C[C@@H]2C)n1 87827528 574044216 /nfs/dbraw/zinc/04/42/16/574044216.db2.gz CAQZLCIPHWNOBS-BQBZGAKWSA-N 0 0 178.239 1.339 10 0 ADAERN CCCSCC(OC)OC 85351691 574044218 /nfs/dbraw/zinc/04/42/18/574044218.db2.gz WMWFIVNKSQNQQQ-UHFFFAOYSA-N 0 0 164.270 1.749 10 0 ADAERN CCC(=O)N1CC[C@@H](OCC2CC2)C1 585404509 574044227 /nfs/dbraw/zinc/04/42/27/574044227.db2.gz OJTWYYBHQGWRLO-SNVBAGLBSA-N 0 0 197.278 1.424 10 0 ADAERN CC1(C)CCCN1c1cc(N)ncn1 87829152 574044232 /nfs/dbraw/zinc/04/42/32/574044232.db2.gz HWOBOIVHLMGROC-UHFFFAOYSA-N 0 0 192.266 1.438 10 0 ADAERN Nc1cc(CC[NH+]2CCCCC2)[nH]n1 259297636 574044233 /nfs/dbraw/zinc/04/42/33/574044233.db2.gz QLYGJVHGUIAKHI-UHFFFAOYSA-N 0 0 194.282 1.020 10 0 ADAERN CCNc1nccc(N[C@@H]2C[C@H]2C)n1 87827638 574044238 /nfs/dbraw/zinc/04/42/38/574044238.db2.gz UMTJJZKMBJQZLM-HTQZYQBOSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1cc(N[C@@H](C)C2CC2)ncn1 87811859 574044241 /nfs/dbraw/zinc/04/42/41/574044241.db2.gz HDUXFXUUCHWXAW-ZETCQYMHSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1nccc(NC2CCC2)n1 87827164 574044251 /nfs/dbraw/zinc/04/42/51/574044251.db2.gz LVMMTVDLXMNDJL-UHFFFAOYSA-N 0 0 178.239 1.483 10 0 ADAERN CC[C@H](C)CNc1cc(N)nc(N)n1 87828214 574044254 /nfs/dbraw/zinc/04/42/54/574044254.db2.gz STCPDZHOOFLDHD-LURJTMIESA-N 0 0 195.270 1.099 10 0 ADAERN CNc1cncc(NC2CCC2)n1 87827118 574044259 /nfs/dbraw/zinc/04/42/59/574044259.db2.gz DAVJOHYXASIRSM-UHFFFAOYSA-N 0 0 178.239 1.483 10 0 ADAERN CN(CC1CC1)c1nc(N)ncc1F 87820419 574044261 /nfs/dbraw/zinc/04/42/61/574044261.db2.gz PCGSOTMTZLQEPD-UHFFFAOYSA-N 0 0 196.229 1.044 10 0 ADAERN CC[C@@H](C)CNc1cc(N)ncn1 87828090 574044278 /nfs/dbraw/zinc/04/42/78/574044278.db2.gz XJQZBGCTBPDABX-SSDOTTSWSA-N 0 0 180.255 1.517 10 0 ADAERN Cc1cnc(N)nc1N[C@H]1C[C@H]1C 87827602 574044287 /nfs/dbraw/zinc/04/42/87/574044287.db2.gz HTWSKIWQOBRNBC-VDTYLAMSSA-N 0 0 178.239 1.188 10 0 ADAERN Oc1c[nH]c(-c2ccccc2)n1 113016409 574044313 /nfs/dbraw/zinc/04/43/13/574044313.db2.gz CEPQKEJONUPZGD-UHFFFAOYSA-N 0 0 160.176 1.782 10 0 ADAERN C[C@H]1C[C@@H]1Nc1nc(N)ncc1F 87827185 574044314 /nfs/dbraw/zinc/04/43/14/574044314.db2.gz JEJLHMAOHKRAKC-NJGYIYPDSA-N 0 0 182.202 1.018 10 0 ADAERN CC1(Nc2ccnc(N)n2)CCCC1 87831697 574044323 /nfs/dbraw/zinc/04/43/23/574044323.db2.gz MLDVNDXYWCUIKJ-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN Cc1c(N)ncnc1N[C@@H]1C[C@@H]1C 87827458 574044326 /nfs/dbraw/zinc/04/43/26/574044326.db2.gz IUPDSIHMBBOHSZ-CAHLUQPWSA-N 0 0 178.239 1.188 10 0 ADAERN CC[C@H](C)CNc1nc(N)ncc1C 87828241 574044335 /nfs/dbraw/zinc/04/43/35/574044335.db2.gz YJGHIJWXVVDBGM-ZETCQYMHSA-N 0 0 194.282 1.825 10 0 ADAERN CNc1cncc(N[C@@H]2C[C@H]2C)n1 87827530 574044349 /nfs/dbraw/zinc/04/43/49/574044349.db2.gz CAQZLCIPHWNOBS-RNFRBKRXSA-N 0 0 178.239 1.339 10 0 ADAERN CNc1nccc(N[C@H]2CC2(C)C)n1 87825855 574044351 /nfs/dbraw/zinc/04/43/51/574044351.db2.gz APDXXWKRKDAOPP-ZETCQYMHSA-N 0 0 192.266 1.729 10 0 ADAERN CC[C@@H](C)CNc1cncc(NC)n1 87828220 574044355 /nfs/dbraw/zinc/04/43/55/574044355.db2.gz LEEVKEGQEMNMRA-MRVPVSSYSA-N 0 0 194.282 1.976 10 0 ADAERN C[C@H]1c2c(O)cccc2CC[C@H]1O 259299016 574044356 /nfs/dbraw/zinc/04/43/56/574044356.db2.gz NDAFWSULRFYSIJ-VXNVDRBHSA-N 0 0 178.231 1.803 10 0 ADAERN CCC(CC)N(C)c1ccnc(N)n1 87813428 574044357 /nfs/dbraw/zinc/04/43/57/574044357.db2.gz CYYUWXROGIJODD-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN CCC(C)(C)N(C)c1ccnc(N)n1 87830554 574044360 /nfs/dbraw/zinc/04/43/60/574044360.db2.gz JCLZWDLQVMKRJB-UHFFFAOYSA-N 0 0 194.282 1.684 10 0 ADAERN CNc1ncc(C)c(N[C@H]2C[C@H]2C)n1 87827562 574044377 /nfs/dbraw/zinc/04/43/77/574044377.db2.gz DPBGEOPOFWCHCO-SVRRBLITSA-N 0 0 192.266 1.647 10 0 ADAERN Cc1cnc(N)nc1N1CCC[C@H]1C 87820219 574044386 /nfs/dbraw/zinc/04/43/86/574044386.db2.gz VAWPNHRDTLJFQS-MRVPVSSYSA-N 0 0 192.266 1.356 10 0 ADAERN Cc1cnc(N)nc1N[C@@H]1C[C@@H]1C 87827595 574044388 /nfs/dbraw/zinc/04/43/88/574044388.db2.gz HTWSKIWQOBRNBC-CAHLUQPWSA-N 0 0 178.239 1.188 10 0 ADAERN C[C@H]1C[C@@H]1Nc1nc(N)ncc1Cl 87827605 574044398 /nfs/dbraw/zinc/04/43/98/574044398.db2.gz QHERBOFFFAPIMG-NJGYIYPDSA-N 0 0 198.657 1.533 10 0 ADAERN C[C@H](CC1CC1)Nc1cc(N)ncn1 87830758 574044401 /nfs/dbraw/zinc/04/44/01/574044401.db2.gz BSWXXFDMGBOAGN-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN C[C@@H](Nc1cc(N)ncn1)C1CC1 87811801 574044407 /nfs/dbraw/zinc/04/44/07/574044407.db2.gz GRRYTMGYBSIUSB-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN CCc1c(N)ncnc1N[C@@H]1C[C@H]1C 87827311 574044427 /nfs/dbraw/zinc/04/44/27/574044427.db2.gz CZOSJLHPPOTSFK-HTRCEHHLSA-N 0 0 192.266 1.442 10 0 ADAERN Cc1c(N)ncnc1N[C@@H]1C[C@H]1C 87827462 574044441 /nfs/dbraw/zinc/04/44/41/574044441.db2.gz IUPDSIHMBBOHSZ-IYSWYEEDSA-N 0 0 178.239 1.188 10 0 ADAERN Cc1cnc(N)nc1N[C@@H](C)C1CC1 87811946 574044446 /nfs/dbraw/zinc/04/44/46/574044446.db2.gz KNMVXELVGBKNNC-ZETCQYMHSA-N 0 0 192.266 1.578 10 0 ADAERN CC[C@@H](C)CNc1cc(N)nc(N)n1 87828212 574044449 /nfs/dbraw/zinc/04/44/49/574044449.db2.gz STCPDZHOOFLDHD-ZCFIWIBFSA-N 0 0 195.270 1.099 10 0 ADAERN Oc1cccc2c1O2 112977539 574044452 /nfs/dbraw/zinc/04/44/52/574044452.db2.gz CZFIZADONNUIFV-UHFFFAOYSA-N 0 0 108.096 1.498 10 0 ADAERN CC[C@@H](C)CNc1nc(N)ncc1C 87828239 574044463 /nfs/dbraw/zinc/04/44/63/574044463.db2.gz YJGHIJWXVVDBGM-SSDOTTSWSA-N 0 0 194.282 1.825 10 0 ADAERN C[C@@H]1c2c(O)cccc2CC[C@H]1O 259299013 574044466 /nfs/dbraw/zinc/04/44/66/574044466.db2.gz NDAFWSULRFYSIJ-IONNQARKSA-N 0 0 178.231 1.803 10 0 ADAERN CC[C@@H](C)CNc1ncnc(N)c1C 87828190 574044476 /nfs/dbraw/zinc/04/44/76/574044476.db2.gz IIDMGYIDPJGOAV-SSDOTTSWSA-N 0 0 194.282 1.825 10 0 ADAERN CNc1cncc(N[C@@H]2CC2(C)C)n1 87825787 574044486 /nfs/dbraw/zinc/04/44/86/574044486.db2.gz CBGOPOLOLRAPND-SSDOTTSWSA-N 0 0 192.266 1.729 10 0 ADAERN CCC[C@H](O)C(=O)C(C)C 112967793 574044487 /nfs/dbraw/zinc/04/44/87/574044487.db2.gz CQVIHDSDTPDFTH-ZETCQYMHSA-N 0 0 144.214 1.373 10 0 ADAERN CCNc1cc(N[C@@H]2C[C@H]2C)ncn1 87827470 574044488 /nfs/dbraw/zinc/04/44/88/574044488.db2.gz BMGUOGBDUNMPBW-HTQZYQBOSA-N 0 0 192.266 1.729 10 0 ADAERN Cc1cnc(N)nc1N1CCC[C@@H]1C 87820217 574044494 /nfs/dbraw/zinc/04/44/94/574044494.db2.gz VAWPNHRDTLJFQS-QMMMGPOBSA-N 0 0 192.266 1.356 10 0 ADAERN COCCOc1cncc(F)c1 224081527 574044495 /nfs/dbraw/zinc/04/44/95/574044495.db2.gz APSLXWHQLORELF-UHFFFAOYSA-N 0 0 171.171 1.246 10 0 ADAERN C[C@@H](CC1CC1)Nc1cc(N)ncn1 87830757 574044497 /nfs/dbraw/zinc/04/44/97/574044497.db2.gz BSWXXFDMGBOAGN-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN CC[C@H](C)CNc1cncc(NC)n1 87828222 574044502 /nfs/dbraw/zinc/04/45/02/574044502.db2.gz LEEVKEGQEMNMRA-QMMMGPOBSA-N 0 0 194.282 1.976 10 0 ADAERN CNc1nccc(N2CC[C@@H](C)C2)n1 87820959 574044504 /nfs/dbraw/zinc/04/45/04/574044504.db2.gz HQFXFYSEHNZJOL-MRVPVSSYSA-N 0 0 192.266 1.365 10 0 ADAERN Cc1cnn(CCCCC(N)=S)c1 49582904 574044506 /nfs/dbraw/zinc/04/45/06/574044506.db2.gz GRRJZFWBXBQDKF-UHFFFAOYSA-N 0 0 197.307 1.648 10 0 ADAERN CNc1cncc(N[C@@H](C)C2CC2)n1 87811928 574044519 /nfs/dbraw/zinc/04/45/19/574044519.db2.gz QRVWZHNZNDBCET-ZETCQYMHSA-N 0 0 192.266 1.729 10 0 ADAERN CNc1ncc(F)c(N[C@H]2C[C@@H]2C)n1 87827358 574044536 /nfs/dbraw/zinc/04/45/36/574044536.db2.gz AIHQJBREKNPIEY-FSPLSTOPSA-N 0 0 196.229 1.478 10 0 ADAERN CC(=O)Nc1cccc(CO)c1C 112998218 574044542 /nfs/dbraw/zinc/04/45/42/574044542.db2.gz VIAWQAGIBZTONJ-UHFFFAOYSA-N 0 0 179.219 1.446 10 0 ADAERN CNc1cncc(N2CC[C@@H](C)C2)n1 87820889 574045061 /nfs/dbraw/zinc/04/50/61/574045061.db2.gz PFYVBFNUWUVNGF-MRVPVSSYSA-N 0 0 192.266 1.365 10 0 ADAERN Cc1c(N)ncnc1N1CC[C@H](C)C1 87820855 574045063 /nfs/dbraw/zinc/04/50/63/574045063.db2.gz OGWMEFJSRYJUAZ-ZETCQYMHSA-N 0 0 192.266 1.213 10 0 ADAERN CCc1c(N)ncnc1N[C@H]1C[C@H]1C 87827313 574045077 /nfs/dbraw/zinc/04/50/77/574045077.db2.gz CZOSJLHPPOTSFK-SVRRBLITSA-N 0 0 192.266 1.442 10 0 ADAERN CCCC[C@H](O)[C@@H]1O[C@@H]1C 112999104 574045080 /nfs/dbraw/zinc/04/50/80/574045080.db2.gz SEHZTEMYUSPLDG-GJMOJQLCSA-N 0 0 144.214 1.325 10 0 ADAERN CNCC(=O)OCc1cccs1 49584680 574045083 /nfs/dbraw/zinc/04/50/83/574045083.db2.gz BFTAOPVFRXOZHW-UHFFFAOYSA-N 0 0 185.248 1.011 10 0 ADAERN CNc1cc(NC2CCC2)nc(N)n1 87827166 574045086 /nfs/dbraw/zinc/04/50/86/574045086.db2.gz JBCXFFIZIAWTOW-UHFFFAOYSA-N 0 0 193.254 1.065 10 0 ADAERN CNc1cncc(N2CC[C@H](C)C2)n1 87820891 574045095 /nfs/dbraw/zinc/04/50/95/574045095.db2.gz PFYVBFNUWUVNGF-QMMMGPOBSA-N 0 0 192.266 1.365 10 0 ADAERN CCCNc1ncc(C)c(N)n1 87821081 574045096 /nfs/dbraw/zinc/04/50/96/574045096.db2.gz UVHDZLIMCNETNR-UHFFFAOYSA-N 0 0 166.228 1.189 10 0 ADAERN C=CO[C@H](O)CCC 112980451 574045111 /nfs/dbraw/zinc/04/51/11/574045111.db2.gz FPSURBCYSCOZSE-LURJTMIESA-N 0 0 116.160 1.265 10 0 ADAERN CC1(C)C[C@H]1Nc1ccnc(N)n1 87825864 574045116 /nfs/dbraw/zinc/04/51/16/574045116.db2.gz WFQOFSRPHPESCW-ZCFIWIBFSA-N 0 0 178.239 1.269 10 0 ADAERN CNc1nccc(N(C)CC2CC2)n1 87820514 574045126 /nfs/dbraw/zinc/04/51/26/574045126.db2.gz JRHRQTUBWLYWPR-UHFFFAOYSA-N 0 0 192.266 1.365 10 0 ADAERN Cc1c(N)ncnc1N1CC[C@@H](C)C1 87820858 574045132 /nfs/dbraw/zinc/04/51/32/574045132.db2.gz OGWMEFJSRYJUAZ-SSDOTTSWSA-N 0 0 192.266 1.213 10 0 ADAERN C[C@@H]1C[C@H]1CN(C)c1ccnc(N)n1 87830454 574045144 /nfs/dbraw/zinc/04/51/44/574045144.db2.gz OWTPZXCNAHGOHX-SFYZADRCSA-N 0 0 192.266 1.151 10 0 ADAERN C=CO[C@@H](O)CCC 112980453 574045147 /nfs/dbraw/zinc/04/51/47/574045147.db2.gz FPSURBCYSCOZSE-ZCFIWIBFSA-N 0 0 116.160 1.265 10 0 ADAERN CNc1nccc(N2CCC[C@@H]2C)n1 87820268 574045148 /nfs/dbraw/zinc/04/51/48/574045148.db2.gz IBQGXMNIBNVHEL-QMMMGPOBSA-N 0 0 192.266 1.507 10 0 ADAERN CCCNc1cn2ccnc2c(N)n1 87821075 574045156 /nfs/dbraw/zinc/04/51/56/574045156.db2.gz MYJCNNFYMIJOEN-UHFFFAOYSA-N 0 0 191.238 1.133 10 0 ADAERN CCC[C@@H](O)C(=O)C(C)C 112967791 574045158 /nfs/dbraw/zinc/04/51/58/574045158.db2.gz CQVIHDSDTPDFTH-SSDOTTSWSA-N 0 0 144.214 1.373 10 0 ADAERN FC/C=C/Cl 112980991 574045163 /nfs/dbraw/zinc/04/51/63/574045163.db2.gz MAGKSAPDDXBCKR-OWOJBTEDSA-N 0 0 94.516 1.708 10 0 ADAERN Nc1cc(CCc2ccoc2)[nH]n1 113032237 574045169 /nfs/dbraw/zinc/04/51/69/574045169.db2.gz DEIWIMLIONDQQK-UHFFFAOYSA-N 0 0 177.207 1.370 10 0 ADAERN CCc1c(N)ncnc1N[C@@H]1C[C@@H]1C 87827308 574044555 /nfs/dbraw/zinc/04/45/55/574044555.db2.gz CZOSJLHPPOTSFK-POYBYMJQSA-N 0 0 192.266 1.442 10 0 ADAERN CC(=O)N1CC[C@@H](OCC2CC2)C1 585403587 574044556 /nfs/dbraw/zinc/04/45/56/574044556.db2.gz FEJDCYGJCICENU-SNVBAGLBSA-N 0 0 183.251 1.034 10 0 ADAERN CNc1ncnc(N[C@H]2C[C@H]2C)c1C 87827632 574044565 /nfs/dbraw/zinc/04/45/65/574044565.db2.gz JNCBZCMDQJNBKC-SVRRBLITSA-N 0 0 192.266 1.647 10 0 ADAERN C[C@H](N)C(=O)c1cc2ccoc2cn1 214594044 574044570 /nfs/dbraw/zinc/04/45/70/574044570.db2.gz YRFBEJZIDYZOTN-LURJTMIESA-N 0 0 190.202 1.358 10 0 ADAERN CNc1cncc(N[C@@H]2C[C@@H]2C)n1 87827532 574044576 /nfs/dbraw/zinc/04/45/76/574044576.db2.gz CAQZLCIPHWNOBS-NKWVEPMBSA-N 0 0 178.239 1.339 10 0 ADAERN C[C@H](N)C(=O)OCCc1cccs1 49585120 574044579 /nfs/dbraw/zinc/04/45/79/574044579.db2.gz JAYDGNWSSPDXLR-ZETCQYMHSA-N 0 0 199.275 1.181 10 0 ADAERN Cc1cnc(N)nc1N[C@H](C)C1CC1 87811948 574044580 /nfs/dbraw/zinc/04/45/80/574044580.db2.gz KNMVXELVGBKNNC-SSDOTTSWSA-N 0 0 192.266 1.578 10 0 ADAERN CN[C@H](NN)c1ccc(Cl)s1 259298504 574044588 /nfs/dbraw/zinc/04/45/88/574044588.db2.gz QGTBSHZRBVUXKB-ZCFIWIBFSA-N 0 0 191.687 1.083 10 0 ADAERN CNc1ncnc(NC2CCC2)c1C 87827140 574044591 /nfs/dbraw/zinc/04/45/91/574044591.db2.gz XYURVSSWSBXNSE-UHFFFAOYSA-N 0 0 192.266 1.791 10 0 ADAERN C[C@H](Nc1nc(N)ncc1F)C1CC1 87811802 574044596 /nfs/dbraw/zinc/04/45/96/574044596.db2.gz PMSXYVZNCRSBSD-YFKPBYRVSA-N 0 0 196.229 1.408 10 0 ADAERN C[C@H]1c2c(O)cccc2CC[C@@H]1O 259299008 574044599 /nfs/dbraw/zinc/04/45/99/574044599.db2.gz NDAFWSULRFYSIJ-APPZFPTMSA-N 0 0 178.231 1.803 10 0 ADAERN C[C@@H](O)OCc1ccccc1 112999249 574044613 /nfs/dbraw/zinc/04/46/13/574044613.db2.gz RECMXJOGNNTEBG-QMMMGPOBSA-N 0 0 152.193 1.542 10 0 ADAERN C[C@H](O)Nc1ccc2c(c1)OCO2 112978021 574044615 /nfs/dbraw/zinc/04/46/15/574044615.db2.gz OCMQTNNCMVQXHK-LURJTMIESA-N 0 0 181.191 1.166 10 0 ADAERN C[C@@H](O)OC(C)(C)C 112979630 574044629 /nfs/dbraw/zinc/04/46/29/574044629.db2.gz DUNYNUFVLYAWTI-YFKPBYRVSA-N 0 0 118.176 1.140 10 0 ADAERN CNc1nccc(N2CCC[C@H]2C)n1 87820266 574044631 /nfs/dbraw/zinc/04/46/31/574044631.db2.gz IBQGXMNIBNVHEL-MRVPVSSYSA-N 0 0 192.266 1.507 10 0 ADAERN CC(C)([NH3+])c1ccc(C(=O)[O-])cc1 113035953 574044632 /nfs/dbraw/zinc/04/46/32/574044632.db2.gz LPEYEVIYKQQJRO-UHFFFAOYSA-N 0 0 179.219 1.579 10 0 ADAERN CCNc1nccc(NC2CCC2)n1 87827141 574044642 /nfs/dbraw/zinc/04/46/42/574044642.db2.gz OHGNKUBWKSAKNS-UHFFFAOYSA-N 0 0 192.266 1.873 10 0 ADAERN CNc1nccc(NCCSC)n1 87830628 574044655 /nfs/dbraw/zinc/04/46/55/574044655.db2.gz RCAWHUJSDNHSOY-UHFFFAOYSA-N 0 0 198.295 1.293 10 0 ADAERN Cc1c(N)ncnc1N1CCC[C@@H]1C 87820168 574044658 /nfs/dbraw/zinc/04/46/58/574044658.db2.gz RWDFYSVECYPRGN-ZETCQYMHSA-N 0 0 192.266 1.356 10 0 ADAERN CCc1c(N)ncnc1N[C@H]1C[C@@H]1C 87827310 574044668 /nfs/dbraw/zinc/04/46/68/574044668.db2.gz CZOSJLHPPOTSFK-XPUUQOCRSA-N 0 0 192.266 1.442 10 0 ADAERN C[C@H](O)OCc1ccccc1 112999251 574044689 /nfs/dbraw/zinc/04/46/89/574044689.db2.gz RECMXJOGNNTEBG-MRVPVSSYSA-N 0 0 152.193 1.542 10 0 ADAERN Cc1cnc(N)nc1NC1CCC1 87827132 574044692 /nfs/dbraw/zinc/04/46/92/574044692.db2.gz FCFMXAKLLYWTRT-UHFFFAOYSA-N 0 0 178.239 1.332 10 0 ADAERN Cc1c(N)ncnc1N[C@H]1C[C@@H]1C 87827460 574044698 /nfs/dbraw/zinc/04/46/98/574044698.db2.gz IUPDSIHMBBOHSZ-FSPLSTOPSA-N 0 0 178.239 1.188 10 0 ADAERN CC[C@H](C)COCCO 112983832 574044704 /nfs/dbraw/zinc/04/47/04/574044704.db2.gz FNNUFIVGNYFGSQ-ZETCQYMHSA-N 0 0 132.203 1.041 10 0 ADAERN C[C@H]1CCCN1c1nc(N)ncc1F 87820074 574044710 /nfs/dbraw/zinc/04/47/10/574044710.db2.gz MEQUWIYGAPLECN-LURJTMIESA-N 0 0 196.229 1.187 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1ccnc(N)n1 87830453 574044712 /nfs/dbraw/zinc/04/47/12/574044712.db2.gz OWTPZXCNAHGOHX-JGVFFNPUSA-N 0 0 192.266 1.151 10 0 ADAERN CNc1cncc(N2CCC[C@H]2C)n1 87820196 574044717 /nfs/dbraw/zinc/04/47/17/574044717.db2.gz RNDGHLUHRRVLPF-MRVPVSSYSA-N 0 0 192.266 1.507 10 0 ADAERN CCNc1nccc(N[C@H]2C[C@@H]2C)n1 87827636 574044730 /nfs/dbraw/zinc/04/47/30/574044730.db2.gz UMTJJZKMBJQZLM-YUMQZZPRSA-N 0 0 192.266 1.729 10 0 ADAERN CN[C@@H](NN)c1ccc(Cl)s1 259298503 574044735 /nfs/dbraw/zinc/04/47/35/574044735.db2.gz QGTBSHZRBVUXKB-LURJTMIESA-N 0 0 191.687 1.083 10 0 ADAERN CNc1ncnc(N[C@H]2C[C@@H]2C)c1C 87827628 574044756 /nfs/dbraw/zinc/04/47/56/574044756.db2.gz JNCBZCMDQJNBKC-XPUUQOCRSA-N 0 0 192.266 1.647 10 0 ADAERN CCc1ccc(OC)c([C@@H]([NH3+])OC)c1 259297596 574044761 /nfs/dbraw/zinc/04/47/61/574044761.db2.gz HYZSVWYFXBNNTF-NSHDSACASA-N 0 0 195.262 1.861 10 0 ADAERN C[C@H]1C[C@H]1Nc1nc(N)ncc1F 87827189 574044765 /nfs/dbraw/zinc/04/47/65/574044765.db2.gz JEJLHMAOHKRAKC-UJURSFKZSA-N 0 0 182.202 1.018 10 0 ADAERN Cc1c(N)ncnc1N[C@@H]1CC1(C)C 87825754 574044766 /nfs/dbraw/zinc/04/47/66/574044766.db2.gz JCJRTOZVEHROKC-SSDOTTSWSA-N 0 0 192.266 1.578 10 0 ADAERN Nc1ncc(Cl)c(NC2CCC2)n1 87827134 574044780 /nfs/dbraw/zinc/04/47/80/574044780.db2.gz GLIYRCHHXQHCSQ-UHFFFAOYSA-N 0 0 198.657 1.677 10 0 ADAERN CC1(CNC=O)CCCCC1 112977136 574044781 /nfs/dbraw/zinc/04/47/81/574044781.db2.gz BZJJXCWMSJQABJ-UHFFFAOYSA-N 0 0 155.241 1.703 10 0 ADAERN CNc1ccc2nc(C)c(=O)oc2c1 113027627 574044804 /nfs/dbraw/zinc/04/48/04/574044804.db2.gz NALSLWPFQLKKGL-UHFFFAOYSA-N 0 0 190.202 1.538 10 0 ADAERN Cc1cnc(N)nc1N(C)CC1CC1 87820490 574044829 /nfs/dbraw/zinc/04/48/29/574044829.db2.gz BJPNBRJJAMDAMC-UHFFFAOYSA-N 0 0 192.266 1.213 10 0 ADAERN CNc1nccc(N[C@@H](C)C2CC2)n1 87811995 574044832 /nfs/dbraw/zinc/04/48/32/574044832.db2.gz QDBUWLAFEAEDRK-ZETCQYMHSA-N 0 0 192.266 1.729 10 0 ADAERN CC[C@@H]1CCCN1c1ccnc(N)n1 87820407 574044853 /nfs/dbraw/zinc/04/48/53/574044853.db2.gz KWTWKAYYXSMILS-MRVPVSSYSA-N 0 0 192.266 1.438 10 0 ADAERN C1CC[C@H]2SC[NH2+][C@@H]2C1 112969757 574044855 /nfs/dbraw/zinc/04/48/55/574044855.db2.gz OGHHATWOTABYKY-RNFRBKRXSA-N 0 0 143.255 1.592 10 0 ADAERN C[C@H]1C[C@@H]1CN(C)c1cc(N)ncn1 87830365 574044856 /nfs/dbraw/zinc/04/48/56/574044856.db2.gz ZHCIFIZZRRMPQM-JGVFFNPUSA-N 0 0 192.266 1.151 10 0 ADAERN CNc1ncc(C)c(N[C@@H]2C[C@H]2C)n1 87827561 574044865 /nfs/dbraw/zinc/04/48/65/574044865.db2.gz DPBGEOPOFWCHCO-HTRCEHHLSA-N 0 0 192.266 1.647 10 0 ADAERN Cc1cnc(N)nc1N[C@H]1C[C@@H]1C 87827598 574044882 /nfs/dbraw/zinc/04/48/82/574044882.db2.gz HTWSKIWQOBRNBC-FSPLSTOPSA-N 0 0 178.239 1.188 10 0 ADAERN CCNc1nccc(N[C@@H]2C[C@@H]2C)n1 87827634 574044886 /nfs/dbraw/zinc/04/48/86/574044886.db2.gz UMTJJZKMBJQZLM-JGVFFNPUSA-N 0 0 192.266 1.729 10 0 ADAERN C[C@@H]1C[C@@H]1CN(C)c1cc(N)ncn1 87830364 574044894 /nfs/dbraw/zinc/04/48/94/574044894.db2.gz ZHCIFIZZRRMPQM-HTQZYQBOSA-N 0 0 192.266 1.151 10 0 ADAERN COc1cc2occc2cc1CCO 112996224 574044901 /nfs/dbraw/zinc/04/49/01/574044901.db2.gz DRIREWTYEQTRRI-UHFFFAOYSA-N 0 0 192.214 1.976 10 0 ADAERN O=C1NC=CSc2ccccc21 112988560 574044907 /nfs/dbraw/zinc/04/49/07/574044907.db2.gz ZYICMVAZFPXOMD-UHFFFAOYSA-N 0 0 177.228 1.993 10 0 ADAERN Cc1c(N)ncnc1NC1CCC1 87827100 574044914 /nfs/dbraw/zinc/04/49/14/574044914.db2.gz QNZOOBSCWRLQHV-UHFFFAOYSA-N 0 0 178.239 1.332 10 0 ADAERN CC1(Nc2cc(N)ncn2)CCCC1 87831669 574044932 /nfs/dbraw/zinc/04/49/32/574044932.db2.gz YQUOVOFCJMHKGI-UHFFFAOYSA-N 0 0 192.266 1.803 10 0 ADAERN C[C@H](O)OC(C)(C)C 112979631 574044935 /nfs/dbraw/zinc/04/49/35/574044935.db2.gz DUNYNUFVLYAWTI-RXMQYKEDSA-N 0 0 118.176 1.140 10 0 ADAERN CNc1nc(N)c2ccccc2n1 87821073 574044944 /nfs/dbraw/zinc/04/49/44/574044944.db2.gz ZJSKGXHXRSURQN-UHFFFAOYSA-N 0 0 174.207 1.254 10 0 ADAERN CNc1ncc(C)c(N[C@H]2C[C@@H]2C)n1 87827559 574044948 /nfs/dbraw/zinc/04/49/48/574044948.db2.gz DPBGEOPOFWCHCO-XPUUQOCRSA-N 0 0 192.266 1.647 10 0 ADAERN CNc1cc(N[C@H]2C[C@@H]2C)ncn1 87827350 574044952 /nfs/dbraw/zinc/04/49/52/574044952.db2.gz QCBLXAYKDZMOCQ-BQBZGAKWSA-N 0 0 178.239 1.339 10 0 ADAERN OCOc1ccccc1 112966210 574044953 /nfs/dbraw/zinc/04/49/53/574044953.db2.gz DHFYLDMPSGAGTP-UHFFFAOYSA-N 0 0 124.139 1.015 10 0 ADAERN Cc1ccc2c(c1O)O2 112977535 574044956 /nfs/dbraw/zinc/04/49/56/574044956.db2.gz YUOCSKPDSHAWSO-UHFFFAOYSA-N 0 0 122.123 1.806 10 0 ADAERN CC(C)[C@@H](C)CNc1cc(N)ncn1 87831472 574044958 /nfs/dbraw/zinc/04/49/58/574044958.db2.gz PYATYLVHXQSMMF-QMMMGPOBSA-N 0 0 194.282 1.763 10 0 ADAERN CC[C@@H](C)COCCO 112983830 574044974 /nfs/dbraw/zinc/04/49/74/574044974.db2.gz FNNUFIVGNYFGSQ-SSDOTTSWSA-N 0 0 132.203 1.041 10 0 ADAERN CC[C@H](C)CNc1cc(N)ncn1 87828092 574044975 /nfs/dbraw/zinc/04/49/75/574044975.db2.gz XJQZBGCTBPDABX-ZETCQYMHSA-N 0 0 180.255 1.517 10 0 ADAERN CNc1ncc(F)c(NC2CCC2)n1 87827074 574044984 /nfs/dbraw/zinc/04/49/84/574044984.db2.gz BKQHFRDVJKHXKZ-UHFFFAOYSA-N 0 0 196.229 1.622 10 0 ADAERN C[C@H](N)C(=O)OCc1cccs1 49584745 574044992 /nfs/dbraw/zinc/04/49/92/574044992.db2.gz YCUDNJYIKHJUDX-LURJTMIESA-N 0 0 185.248 1.139 10 0 ADAERN CNc1ncc(F)c(N[C@@H]2C[C@H]2C)n1 87827360 574044993 /nfs/dbraw/zinc/04/49/93/574044993.db2.gz AIHQJBREKNPIEY-IYSWYEEDSA-N 0 0 196.229 1.478 10 0 ADAERN CC[C@H](C)CNc1nc(N)ncc1F 87828096 574044994 /nfs/dbraw/zinc/04/49/94/574044994.db2.gz LHHVWJFWVCSQQR-LURJTMIESA-N 0 0 198.245 1.656 10 0 ADAERN COCc1ncc(C)cc1C(=O)OC 259466998 574044998 /nfs/dbraw/zinc/04/49/98/574044998.db2.gz AXAVGFGVLUQTAZ-UHFFFAOYSA-N 0 0 195.218 1.323 10 0 ADAERN CNc1cc(NCC(C)(C)C)ncn1 87820621 574045003 /nfs/dbraw/zinc/04/50/03/574045003.db2.gz NELOAPQBJORONS-UHFFFAOYSA-N 0 0 194.282 1.976 10 0 ADAERN CSCCNc1nc(N)ncc1C 87830611 574045013 /nfs/dbraw/zinc/04/50/13/574045013.db2.gz WKWIYNGIGGOGHH-UHFFFAOYSA-N 0 0 198.295 1.142 10 0 ADAERN COc1c(C)cnc(CO)c1Cl 112974761 574045014 /nfs/dbraw/zinc/04/50/14/574045014.db2.gz XZIITHSQIKNLIN-UHFFFAOYSA-N 0 0 187.626 1.544 10 0 ADAERN CCC(=O)N1CC[C@H](OCC2CC2)C1 585404508 574045023 /nfs/dbraw/zinc/04/50/23/574045023.db2.gz OJTWYYBHQGWRLO-JTQLQIEISA-N 0 0 197.278 1.424 10 0 ADAERN CC(=O)N1CC[C@H](OCC2CC2)C1 585403586 574045039 /nfs/dbraw/zinc/04/50/39/574045039.db2.gz FEJDCYGJCICENU-JTQLQIEISA-N 0 0 183.251 1.034 10 0 ADAERN CCCNc1ncc(Cl)c(N)n1 87821048 574045049 /nfs/dbraw/zinc/04/50/49/574045049.db2.gz VSOTUYFQGMEDLF-UHFFFAOYSA-N 0 0 186.646 1.534 10 0 ADAERN C[C@@H](O)Nc1ccc2c(c1)OCO2 112978019 574045051 /nfs/dbraw/zinc/04/50/51/574045051.db2.gz OCMQTNNCMVQXHK-ZCFIWIBFSA-N 0 0 181.191 1.166 10 0 ADAERN C[C@H]1CCN(c2nc(N)ncc2F)C1 87820766 574045052 /nfs/dbraw/zinc/04/50/52/574045052.db2.gz XDSSNXUNWHVRRY-LURJTMIESA-N 0 0 196.229 1.044 10 0 ADAERN Cc1c(N)ncnc1N[C@H]1CC1(C)C 87825757 574045054 /nfs/dbraw/zinc/04/50/54/574045054.db2.gz JCJRTOZVEHROKC-ZETCQYMHSA-N 0 0 192.266 1.578 10 0 ADAERN CC(C)[C@@H](C)Oc1cncc(NN)n1 87892558 574048661 /nfs/dbraw/zinc/04/86/61/574048661.db2.gz AQGWNVMDPWAWNT-SSDOTTSWSA-N 0 0 196.254 1.186 10 0 ADAERN CCCSc1cncc(NN)n1 87889982 574048686 /nfs/dbraw/zinc/04/86/86/574048686.db2.gz QZDCUXSIMULWRB-UHFFFAOYSA-N 0 0 184.268 1.264 10 0 ADAERN Cc1cccn2c(=O)[nH]cc12 258526099 574048741 /nfs/dbraw/zinc/04/87/41/574048741.db2.gz MULGERRQFYXRHT-UHFFFAOYSA-N 0 0 148.165 1.348 10 0 ADAERN C[C@H](O)[C@H](F)C1CCCC1 258526152 574048189 /nfs/dbraw/zinc/04/81/89/574048189.db2.gz MUWSTQJEZDYKEI-XPUUQOCRSA-N 0 0 146.205 1.896 10 0 ADAERN CC[C@@H](C)Sc1cncc(NN)n1 87889727 574048194 /nfs/dbraw/zinc/04/81/94/574048194.db2.gz VPFDVABMKPHICI-ZCFIWIBFSA-N 0 0 198.295 1.653 10 0 ADAERN C[C@@H](O)[C@H](F)C1CCCC1 258526147 574048212 /nfs/dbraw/zinc/04/82/12/574048212.db2.gz MUWSTQJEZDYKEI-SVRRBLITSA-N 0 0 146.205 1.896 10 0 ADAERN Cc1c(NN)ncnc1SC(C)C 87892140 574048227 /nfs/dbraw/zinc/04/82/27/574048227.db2.gz MPRDLMDXZAKVSX-UHFFFAOYSA-N 0 0 198.295 1.571 10 0 ADAERN CSc1nc(NN)ncc1Cl 87892457 574048232 /nfs/dbraw/zinc/04/82/32/574048232.db2.gz URHVZHCWYSACMZ-UHFFFAOYSA-N 0 0 190.659 1.138 10 0 ADAERN CC[C@H](C)Sc1cncc(NN)n1 87889728 574048290 /nfs/dbraw/zinc/04/82/90/574048290.db2.gz VPFDVABMKPHICI-LURJTMIESA-N 0 0 198.295 1.653 10 0 ADAERN CC(C)[C@H](C)Oc1cncc(NN)n1 87892560 574048299 /nfs/dbraw/zinc/04/82/99/574048299.db2.gz AQGWNVMDPWAWNT-ZETCQYMHSA-N 0 0 196.254 1.186 10 0 ADAERN OCc1[nH]nc2c1[C@H](F)CCC2 258526055 574048323 /nfs/dbraw/zinc/04/83/23/574048323.db2.gz MTZCGRCTKXAIGG-RXMQYKEDSA-N 0 0 170.187 1.249 10 0 ADAERN CCSc1nc(NN)ncc1F 87889826 574048387 /nfs/dbraw/zinc/04/83/87/574048387.db2.gz BRPQKYWDIUWNRV-UHFFFAOYSA-N 0 0 188.231 1.013 10 0 ADAERN CSc1ncnc(NN)c1C(C)C 87892434 574048403 /nfs/dbraw/zinc/04/84/03/574048403.db2.gz ALSVMUZDROCIGV-UHFFFAOYSA-N 0 0 198.295 1.608 10 0 ADAERN CC(C)CSc1cncc(NN)n1 87889322 574048405 /nfs/dbraw/zinc/04/84/05/574048405.db2.gz SHAWNWCBNVIJFV-UHFFFAOYSA-N 0 0 198.295 1.510 10 0 ADAERN NNc1cncc(OC2CCCC2)n1 87877486 574048442 /nfs/dbraw/zinc/04/84/42/574048442.db2.gz YRUOWPYDVGJEPC-UHFFFAOYSA-N 0 0 194.238 1.084 10 0 ADAERN CCc1c(NN)ncnc1SC 87892495 574048454 /nfs/dbraw/zinc/04/84/54/574048454.db2.gz AZRGSPQKTVEMJV-UHFFFAOYSA-N 0 0 184.268 1.047 10 0 ADAERN CCC(C)(C)Oc1cncc(NN)n1 87877224 574048485 /nfs/dbraw/zinc/04/84/85/574048485.db2.gz MHEGAGSBSMRNOD-UHFFFAOYSA-N 0 0 196.254 1.330 10 0 ADAERN CCCSc1ncnc(NN)c1C 87889950 574048531 /nfs/dbraw/zinc/04/85/31/574048531.db2.gz CRESKRZOQBFQTQ-UHFFFAOYSA-N 0 0 198.295 1.573 10 0 ADAERN CC(C)C1=C(C(=O)[O-])CC[NH2+]C1 258526033 574048586 /nfs/dbraw/zinc/04/85/86/574048586.db2.gz MTTWLRYSZBQCLB-UHFFFAOYSA-N 0 0 169.224 1.017 10 0 ADAERN CC(C)[C@H](C)Nc1cncc(=NN)[nH]1 87884323 574048605 /nfs/dbraw/zinc/04/86/05/574048605.db2.gz FOQPCHMQHJCHQI-ZETCQYMHSA-N 0 0 195.270 1.219 10 0 ADAERN CCCc1c(NN)ncnc1SC 87892479 574048618 /nfs/dbraw/zinc/04/86/18/574048618.db2.gz MZUJQZGMNZJVJQ-UHFFFAOYSA-N 0 0 198.295 1.437 10 0 ADAERN CCc1nc(CCCCOC)no1 308288919 491093171 /nfs/dbraw/zinc/09/31/71/491093171.db2.gz CKBMGQINUAJDFJ-UHFFFAOYSA-N 0 0 184.239 1.601 10 0 ADAERN CC(C)[C@@]1(C)CC(=O)N(C)C1=O 307232612 517471789 /nfs/dbraw/zinc/47/17/89/517471789.db2.gz CPQKEQOFOBMRAQ-SECBINFHSA-N 0 0 169.224 1.037 10 0 ADAERN CC(C)c1nc2n(c1C=O)CCS2 75484838 517490946 /nfs/dbraw/zinc/49/09/46/517490946.db2.gz GPXJPEIGNXTOBI-UHFFFAOYSA-N 0 0 196.275 1.925 10 0 ADAERN CC1(C)CC(=O)[C@@H]2COCC[C@H]2O1 82393316 517502884 /nfs/dbraw/zinc/50/28/84/517502884.db2.gz ZVELAEGYFLZCMK-IONNQARKSA-N 0 0 184.235 1.160 10 0 ADAERN CC1(C)C[C@H]1[NH2+]CCCC(=O)[O-] 45119465 517514895 /nfs/dbraw/zinc/51/48/95/517514895.db2.gz NGJHQLQAECNQKT-SSDOTTSWSA-N 0 0 171.240 1.239 10 0 ADAERN CCOc1cc(OCC)nc(C)n1 39224071 517727161 /nfs/dbraw/zinc/72/71/61/517727161.db2.gz NOKZTWGERAEQCT-UHFFFAOYSA-N 0 0 182.223 1.582 10 0 ADAERN CC[C@@H]1C[C@H]1C(=O)N1CCCCCO1 335582361 517791246 /nfs/dbraw/zinc/79/12/46/517791246.db2.gz XECBOSJKHRJZOV-NXEZZACHSA-N 0 0 197.278 1.977 10 0 ADAERN CC[C@H](O)CSc1ncccc1N 37689032 517830692 /nfs/dbraw/zinc/83/06/92/517830692.db2.gz ZLPJZNKBOCQKSX-ZETCQYMHSA-N 0 0 198.291 1.527 10 0 ADAERN CCc1cc(=O)[nH]c(C(C)C)n1 36755164 517841613 /nfs/dbraw/zinc/84/16/13/517841613.db2.gz LZTZKVPEWIJRRI-UHFFFAOYSA-N 0 0 166.224 1.456 10 0 ADAERN CN(C(N)=O)c1nc2ccccc2[nH]1 95924333 517897600 /nfs/dbraw/zinc/89/76/00/517897600.db2.gz NBXHYNNUYNBLNU-UHFFFAOYSA-N 0 0 190.206 1.078 10 0 ADAERN CN1C[C@@H](c2ccc(N)cc2)OC1=O 75456263 517950101 /nfs/dbraw/zinc/95/01/01/517950101.db2.gz SIEPFOGSRXWEKB-VIFPVBQESA-N 0 0 192.218 1.392 10 0 ADAERN CNC(=O)CNc1cc(C)cc(F)c1 85730639 517956653 /nfs/dbraw/zinc/95/66/53/517956653.db2.gz GGRKBJPKEBWPBL-UHFFFAOYSA-N 0 0 196.225 1.292 10 0 ADAERN CNC(=O)N1[C@@H](C)CC[C@H]1C 238342532 517960277 /nfs/dbraw/zinc/96/02/77/517960277.db2.gz ADNDOUIOUYUGLB-KNVOCYPGSA-N 0 0 156.229 1.199 10 0 ADAERN CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 334227234 517965047 /nfs/dbraw/zinc/96/50/47/517965047.db2.gz FKYSKQAZSIAOOV-VHSXEESVSA-N 0 0 193.221 1.675 10 0 ADAERN C[C@H]1CCCN1C(=O)[C@@]1(C)CCCO1 336428995 518184046 /nfs/dbraw/zinc/18/40/46/518184046.db2.gz RBFUYVJCRKHIIW-GXSJLCMTSA-N 0 0 197.278 1.566 10 0 ADAERN C[C@H]1COCCN1Cc1cncs1 306363217 518184811 /nfs/dbraw/zinc/18/48/11/518184811.db2.gz WYGNBKWENMXPTP-QMMMGPOBSA-N 0 0 198.291 1.364 10 0 ADAERN Cc1ccc(C)c([C@@H]2CCN(N)C2)c1 77275542 518188601 /nfs/dbraw/zinc/18/86/01/518188601.db2.gz GMTZQAIGHUMSRJ-LLVKDONJSA-N 0 0 190.290 1.966 10 0 ADAERN Cc1ccc(N2CCNC2=S)cc1 90742182 518189070 /nfs/dbraw/zinc/18/90/70/518189070.db2.gz RUDYDCGIWMTFHW-UHFFFAOYSA-N 0 0 192.287 1.690 10 0 ADAERN Cc1ccc(NC(=O)CC(N)=O)cn1 336149592 518189194 /nfs/dbraw/zinc/18/91/94/518189194.db2.gz PVQUSZBOTQTRAD-UHFFFAOYSA-N 0 0 193.206 1.254 10 0 ADAERN Cc1cccc2c1OCC(=O)C2 82850410 518190623 /nfs/dbraw/zinc/19/06/23/518190623.db2.gz OFVCJWUMCSWDOB-UHFFFAOYSA-N 0 0 162.188 1.499 10 0 ADAERN Cc1cn2cc(CO)nc2s1 36254595 518191645 /nfs/dbraw/zinc/19/16/45/518191645.db2.gz OSOFKXMAIIFJKR-UHFFFAOYSA-N 0 0 168.221 1.197 10 0 ADAERN Cc1csc([C@@H]([NH3+])CC(=O)[O-])c1 82878219 518192156 /nfs/dbraw/zinc/19/21/56/518192156.db2.gz RDFRJOVGYKUNLR-LURJTMIESA-N 0 0 185.248 1.531 10 0 ADAERN Cc1ncc(CC(C)C)[n+]([O-])c1C 39114231 518193213 /nfs/dbraw/zinc/19/32/13/518193213.db2.gz NVZILKXNHAMUBH-UHFFFAOYSA-N 0 0 180.251 1.530 10 0 ADAERN Cc1ccc(N)c(-c2nnc(C)o2)c1 39643608 518193895 /nfs/dbraw/zinc/19/38/95/518193895.db2.gz YGTHCVIWQGIHFU-UHFFFAOYSA-N 0 0 189.218 1.936 10 0 ADAERN O=Cc1ccoc1Cl 82411069 518202701 /nfs/dbraw/zinc/20/27/01/518202701.db2.gz CMXNFTLULFOSQR-UHFFFAOYSA-N 0 0 130.530 1.746 10 0 ADAERN OCc1ccc2c(c1)CCCN2 75844588 518203483 /nfs/dbraw/zinc/20/34/83/518203483.db2.gz ZTKJRFRPZXHQKQ-UHFFFAOYSA-N 0 0 163.220 1.537 10 0 ADAERN ONCc1ccc(-n2ccnc2)cc1 82881083 518203492 /nfs/dbraw/zinc/20/34/92/518203492.db2.gz RKTMWSGCWYKOBX-UHFFFAOYSA-N 0 0 189.218 1.351 10 0 ADAERN Oc1cccc2c1[C@@H](O)CC[C@H]2O 62719047 518203543 /nfs/dbraw/zinc/20/35/43/518203543.db2.gz UCOGFVYGQNGFRD-APPZFPTMSA-N 0 0 180.203 1.253 10 0 ADAERN O[C@@H]1OCC[C@H](c2ccccc2)O1 39120299 518203548 /nfs/dbraw/zinc/20/35/48/518203548.db2.gz FTOUBDRVUUQBFH-NXEZZACHSA-N 0 0 180.203 1.441 10 0 ADAERN O[C@H]1C=C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]21 2504798 518203549 /nfs/dbraw/zinc/20/35/49/518203549.db2.gz SIRXYHBXRXZGJQ-KGDYZURWSA-N 0 0 148.205 1.355 10 0 ADAERN CC(=O)c1ccc2c(c1)NCCN2C 82390363 518415331 /nfs/dbraw/zinc/41/53/31/518415331.db2.gz FTPZNNXSPHYXAM-UHFFFAOYSA-N 0 0 190.246 1.751 10 0 ADAERN CC(=O)c1cccc2c1OCCN2C 82889300 518463225 /nfs/dbraw/zinc/46/32/25/518463225.db2.gz VOTWCWGICBRKMG-UHFFFAOYSA-N 0 0 191.230 1.718 10 0 ADAERN CC(C)(C(N)=O)c1ccccc1F 135736380 518545544 /nfs/dbraw/zinc/54/55/44/518545544.db2.gz WCFBIEXQLWOTHN-UHFFFAOYSA-N 0 0 181.210 1.589 10 0 ADAERN CC(C)(C)C(=O)NCc1cscn1 70233075 518586785 /nfs/dbraw/zinc/58/67/85/518586785.db2.gz FCOLOPZNJOSCQW-UHFFFAOYSA-N 0 0 198.291 1.805 10 0 ADAERN CC(C)(C)OC(=O)c1cncc(O)c1 82671087 518862794 /nfs/dbraw/zinc/86/27/94/518862794.db2.gz UKXVCIVPYACUOT-UHFFFAOYSA-N 0 0 195.218 1.743 10 0 ADAERN CC(C)(O)C(C)(C)NC(=O)C1CC1 221136247 519336338 /nfs/dbraw/zinc/33/63/38/519336338.db2.gz UXJORQZBFMUBSQ-UHFFFAOYSA-N 0 0 185.267 1.062 10 0 ADAERN CC(=O)CN1CCNc2ccccc21 76894389 519422829 /nfs/dbraw/zinc/42/28/29/519422829.db2.gz QVXRKMXIBGNKNU-UHFFFAOYSA-N 0 0 190.246 1.508 10 0 ADAERN CC(C)=CCNC(=O)c1ccco1 232595253 519436392 /nfs/dbraw/zinc/43/63/92/519436392.db2.gz CYCZUPLGAALEAL-UHFFFAOYSA-N 0 0 179.219 1.976 10 0 ADAERN CC(C)C(=O)N(C)C[C@@H]1CCCO1 70227650 519449168 /nfs/dbraw/zinc/44/91/68/519449168.db2.gz HMJXIDHMJBBICN-VIFPVBQESA-N 0 0 185.267 1.280 10 0 ADAERN CC(C)C(=O)N(C)C[C@H]1CCCO1 70227651 519449676 /nfs/dbraw/zinc/44/96/76/519449676.db2.gz HMJXIDHMJBBICN-SECBINFHSA-N 0 0 185.267 1.280 10 0 ADAERN CC(C)C(=O)N[C@@H]1CCCC[C@@H]1CO 225643438 519509425 /nfs/dbraw/zinc/50/94/25/519509425.db2.gz IYJDCOQIAXDOPU-NXEZZACHSA-N 0 0 199.294 1.310 10 0 ADAERN CC(C)C(=O)N[C@@H]1C[C@@H]1C 82400072 519512685 /nfs/dbraw/zinc/51/26/85/519512685.db2.gz HRVIAVDCDYTTHO-NKWVEPMBSA-N 0 0 141.214 1.167 10 0 ADAERN CC(=O)N1CCCC1(C)C 82416074 519520936 /nfs/dbraw/zinc/52/09/36/519520936.db2.gz UDQGDVMMHREABM-UHFFFAOYSA-N 0 0 141.214 1.407 10 0 ADAERN CC(=O)N1CCCCC[C@@H]1C 78739681 519521198 /nfs/dbraw/zinc/52/11/98/519521198.db2.gz DMLGREFWOBSFJF-QMMMGPOBSA-N 0 0 155.241 1.797 10 0 ADAERN CC(C)CC(=O)N1CCC(=O)[C@H](C)C1 160121183 519577222 /nfs/dbraw/zinc/57/72/22/519577222.db2.gz UGSIEIGEVCGTHR-SECBINFHSA-N 0 0 197.278 1.470 10 0 ADAERN CC(C)CC(=O)N1CCCO1 164347381 519579934 /nfs/dbraw/zinc/57/99/34/519579934.db2.gz AUWZLCSOXQOWSX-UHFFFAOYSA-N 0 0 157.213 1.196 10 0 ADAERN CC(=O)N1CCNc2c(F)cccc21 82387526 519593681 /nfs/dbraw/zinc/59/36/81/519593681.db2.gz IZRMXBCDZJMFAL-UHFFFAOYSA-N 0 0 194.209 1.604 10 0 ADAERN CC(=O)N1CCNc2cc(F)ccc21 82387525 519593841 /nfs/dbraw/zinc/59/38/41/519593841.db2.gz RPKQMIHUFKHBNI-UHFFFAOYSA-N 0 0 194.209 1.604 10 0 ADAERN CC(=O)N1CCNc2cc(O)ccc21 82388897 519594985 /nfs/dbraw/zinc/59/49/85/519594985.db2.gz OKPGNGCQAZNCBX-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN CC(=O)N1CCNc2ccc(O)cc21 82388898 519595268 /nfs/dbraw/zinc/59/52/68/519595268.db2.gz OXUKHXZPXCAPJY-UHFFFAOYSA-N 0 0 192.218 1.171 10 0 ADAERN COC[C@@](C)(O)c1cc(C2CC2)no1 901397464 630747656 /nfs/dbraw/zinc/74/76/56/630747656.db2.gz YOYWCWBDOLGWSL-SNVBAGLBSA-N 0 0 197.234 1.406 10 0 ADAERN c1c(C2CC2)noc1[C@H]1COCCN1 901394690 630747660 /nfs/dbraw/zinc/74/76/60/630747660.db2.gz GHSJOYQRASFZFU-SECBINFHSA-N 0 0 194.234 1.213 10 0 ADAERN Cc1cc([C@H]2CCOC2)on1 901393587 630747673 /nfs/dbraw/zinc/74/76/73/630747673.db2.gz POKSYNHSXOJMPX-ZETCQYMHSA-N 0 0 153.181 1.487 10 0 ADAERN CCC[C@H](N)c1nc([C@@H]2C[C@H]2C)no1 232009449 630747687 /nfs/dbraw/zinc/74/76/87/630747687.db2.gz 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C[C@H](O)[C@H](C)Sc1cccc[n+]1[O-] 306392874 629696116 /nfs/dbraw/zinc/69/61/16/629696116.db2.gz FNKIDUPWIPIYFU-YUMQZZPRSA-N 0 0 199.275 1.181 10 0 ADAERN C[C@H](Sc1cccc[n+]1[O-])[C@@H](C)O 306392873 629696760 /nfs/dbraw/zinc/69/67/60/629696760.db2.gz FNKIDUPWIPIYFU-SFYZADRCSA-N 0 0 199.275 1.181 10 0 ADAERN O=C(OC1CCC1)[C@H]1CCCCO1 306394003 629696863 /nfs/dbraw/zinc/69/68/63/629696863.db2.gz FAYYCNBNIQGCFC-SECBINFHSA-N 0 0 184.235 1.651 10 0 ADAERN C[C@@H]1C[C@H]1Nc1nccc(N(C)C)n1 306364466 629696967 /nfs/dbraw/zinc/69/69/67/629696967.db2.gz CVPXOHADPUGVJM-HTQZYQBOSA-N 0 0 192.266 1.363 10 0 ADAERN Cc1cc(OC(=O)CO)ccc1F 306486211 629704849 /nfs/dbraw/zinc/70/48/49/629704849.db2.gz IZLZZYJBEFMBDB-UHFFFAOYSA-N 0 0 184.166 1.032 10 0 ADAERN O=C(OC1CC1)C1=COCCC1 306363345 629697041 /nfs/dbraw/zinc/69/70/41/629697041.db2.gz XQISUBPYNYITPX-UHFFFAOYSA-N 0 0 168.192 1.386 10 0 ADAERN O[C@@H]1CCC[C@H](Cn2ccnc2)C1 306402660 629697932 /nfs/dbraw/zinc/69/79/32/629697932.db2.gz 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/nfs/dbraw/zinc/70/15/94/629701594.db2.gz YNVBIXWOTOPRSC-UHFFFAOYSA-N 0 0 185.248 1.277 10 0 ADAERN CC(C)=CC(=O)O[C@@]1(C)CCOC1 306484925 629702115 /nfs/dbraw/zinc/70/21/15/629702115.db2.gz HZUUYEMZCWXJEE-JTQLQIEISA-N 0 0 184.235 1.675 10 0 ADAERN CC[C@H](C)NC(=S)N1CC[C@H]1C 306519689 629702144 /nfs/dbraw/zinc/70/21/44/629702144.db2.gz CLZFWIHGEKXANB-JGVFFNPUSA-N 0 0 186.324 1.754 10 0 ADAERN CC[C@@H](C)NC(=S)N1CC[C@@H]1C 306519690 629702390 /nfs/dbraw/zinc/70/23/90/629702390.db2.gz CLZFWIHGEKXANB-SFYZADRCSA-N 0 0 186.324 1.754 10 0 ADAERN c1coc([C@H]2CCOC3(COC3)N2)c1 757148563 629702935 /nfs/dbraw/zinc/70/29/35/629702935.db2.gz NPPHCIJJCCHPDY-MRVPVSSYSA-N 0 0 195.218 1.057 10 0 ADAERN CC1(C)CC2(C1)NC1(CCO2)COC1 757147842 629703201 /nfs/dbraw/zinc/70/32/01/629703201.db2.gz MNTZRMDZSGOSFC-UHFFFAOYSA-N 0 0 197.278 1.282 10 0 ADAERN CC(C)=CC(=O)O[C@]1(C)CCOC1 306484926 629703241 /nfs/dbraw/zinc/70/32/41/629703241.db2.gz HZUUYEMZCWXJEE-SNVBAGLBSA-N 0 0 184.235 1.675 10 0 ADAERN 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RYJINIUKAZMFMF-ONEGZZNKSA-N 0 0 195.247 1.443 10 0 ADAERN Cc1cn(Cc2ccsc2)nn1 93538605 629714111 /nfs/dbraw/zinc/71/41/11/629714111.db2.gz CWEGHKMQMOVJJP-UHFFFAOYSA-N 0 0 179.248 1.696 10 0 ADAERN CCOc1cc(NC(N)=O)ccc1C 238269126 520758927 /nfs/dbraw/zinc/75/89/27/520758927.db2.gz BTRDZGBKUBRAPP-UHFFFAOYSA-N 0 0 194.234 1.884 10 0 ADAERN C[C@H]1C[C@@H](C)N1C(=O)C(F)(F)F 306989902 629715498 /nfs/dbraw/zinc/71/54/98/629715498.db2.gz HZOTYXDXVRWEGO-SYDPRGILSA-N 0 0 181.157 1.558 10 0 ADAERN CCOC(=O)[C@H](F)C(=O)C(C)(C)C 139559998 629717178 /nfs/dbraw/zinc/71/71/78/629717178.db2.gz HLQMJVMMMPTQEG-ZCFIWIBFSA-N 0 0 190.214 1.503 10 0 ADAERN CCCSC[C@@](C)([NH3+])CC(=O)[O-] 757158796 629717430 /nfs/dbraw/zinc/71/74/30/629717430.db2.gz AJQVSGNKWRFAHM-QMMMGPOBSA-N 0 0 191.296 1.322 10 0 ADAERN CCOC(=O)[C@@H](F)C(=O)C(C)(C)C 139560118 629717696 /nfs/dbraw/zinc/71/76/96/629717696.db2.gz HLQMJVMMMPTQEG-LURJTMIESA-N 0 0 190.214 1.503 10 0 ADAERN CC[C@@H](O)c1ncc(C=O)s1 139573781 629719396 /nfs/dbraw/zinc/71/93/96/629719396.db2.gz BJJJCAMJIODZGY-ZCFIWIBFSA-N 0 0 171.221 1.399 10 0 ADAERN CC[C@H](O)c1ncc(C=O)s1 139573909 629719818 /nfs/dbraw/zinc/71/98/18/629719818.db2.gz BJJJCAMJIODZGY-LURJTMIESA-N 0 0 171.221 1.399 10 0 ADAERN CCCSC[C@](C)([NH3+])CC(=O)[O-] 757158794 629719940 /nfs/dbraw/zinc/71/99/40/629719940.db2.gz AJQVSGNKWRFAHM-MRVPVSSYSA-N 0 0 191.296 1.322 10 0 ADAERN C[C@@H]1CC=CC[C@H]1NC(=O)CCF 890764850 629721264 /nfs/dbraw/zinc/72/12/64/629721264.db2.gz FQTCHTCOSBACBY-RKDXNWHRSA-N 0 0 185.242 1.817 10 0 ADAERN [NH3+]C1(CC(=O)[O-])CC(C2CCC2)C1 757159362 629721286 /nfs/dbraw/zinc/72/12/86/629721286.db2.gz RLOQECYQWAWGAJ-UHFFFAOYSA-N 0 0 183.251 1.369 10 0 ADAERN C[C@@H]1CC=CC[C@H]1NC(=O)C1CC1 890772631 629722199 /nfs/dbraw/zinc/72/21/99/629722199.db2.gz ZEGIKLHBDAXKHY-PSASIEDQSA-N 0 0 179.263 1.867 10 0 ADAERN CCC(C)(C)c1nn(C)cc1CO 757175976 629722361 /nfs/dbraw/zinc/72/23/61/629722361.db2.gz RIVCSLDNRVABJA-UHFFFAOYSA-N 0 0 182.267 1.600 10 0 ADAERN 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307851104 629819968 /nfs/dbraw/zinc/81/99/68/629819968.db2.gz AGASCWHFLGFPAT-MJSGSUOKSA-N 0 0 158.197 1.141 10 0 ADAERN CNC(=O)/C=C1\CC[C@@H](C)C1 307851199 629820047 /nfs/dbraw/zinc/82/00/47/629820047.db2.gz ALAJGOCZBKHBNZ-UQBZRGDZSA-N 0 0 153.225 1.479 10 0 ADAERN C/C=C\COC(=O)[C@@H](C)OC 307851099 629820583 /nfs/dbraw/zinc/82/05/83/629820583.db2.gz AGASCWHFLGFPAT-IQXGSHKSSA-N 0 0 158.197 1.141 10 0 ADAERN CNC(=O)/C=C1\CC[C@H](C)C1 307851194 629820587 /nfs/dbraw/zinc/82/05/87/629820587.db2.gz ALAJGOCZBKHBNZ-DGUDBNDOSA-N 0 0 153.225 1.479 10 0 ADAERN CCOC(=O)C[C@H]1CC[C@@H](C2CC2)O1 924351423 629821014 /nfs/dbraw/zinc/82/10/14/629821014.db2.gz BTGLDYTZOUMRLH-ZJUUUORDSA-N 0 0 198.262 1.897 10 0 ADAERN CS[C@@H](C)C(=O)OCC(F)F 307891777 629821361 /nfs/dbraw/zinc/82/13/61/629821361.db2.gz FTVIZGDWLBYXAC-BYPYZUCNSA-N 0 0 184.207 1.546 10 0 ADAERN CS[C@@H](C)CC(=O)OC1CC1 307900636 629821485 /nfs/dbraw/zinc/82/14/85/629821485.db2.gz MUXSRUWMMNNVEI-LURJTMIESA-N 0 0 174.265 1.834 10 0 ADAERN O=C(/C=C\C1CC1)OC1CC1 307899213 629821573 /nfs/dbraw/zinc/82/15/73/629821573.db2.gz LLPQLZQFJNITBN-UTCJRWHESA-N 0 0 152.193 1.658 10 0 ADAERN OCCSCCSC1CCC1 307896265 629821627 /nfs/dbraw/zinc/82/16/27/629821627.db2.gz JAMYKKIGLNUETF-UHFFFAOYSA-N 0 0 192.349 1.998 10 0 ADAERN CCOC(=O)C[C@@H]1CC[C@@H](C2CC2)O1 924351420 629821904 /nfs/dbraw/zinc/82/19/04/629821904.db2.gz BTGLDYTZOUMRLH-UWVGGRQHSA-N 0 0 198.262 1.897 10 0 ADAERN CCOC(=O)C[C@H]1CC[C@H](C2CC2)O1 924351418 629821988 /nfs/dbraw/zinc/82/19/88/629821988.db2.gz BTGLDYTZOUMRLH-NXEZZACHSA-N 0 0 198.262 1.897 10 0 ADAERN COC[C@H](OC(C)=O)C(C)C 307900288 629821993 /nfs/dbraw/zinc/82/19/93/629821993.db2.gz MMVUJQYXSUEQPV-QMMMGPOBSA-N 0 0 160.213 1.221 10 0 ADAERN CC(C)OCC(=O)OC1CC1 307887843 629822081 /nfs/dbraw/zinc/82/20/81/629822081.db2.gz WJTLHJSDOWQYBR-UHFFFAOYSA-N 0 0 158.197 1.117 10 0 ADAERN COC[C@@H](OC(C)=O)C(C)C 307900287 629822222 /nfs/dbraw/zinc/82/22/22/629822222.db2.gz MMVUJQYXSUEQPV-MRVPVSSYSA-N 0 0 160.213 1.221 10 0 ADAERN CCOC(=O)C[C@@H]1CC[C@H](C2CC2)O1 924351422 629822683 /nfs/dbraw/zinc/82/26/83/629822683.db2.gz BTGLDYTZOUMRLH-VHSXEESVSA-N 0 0 198.262 1.897 10 0 ADAERN C/C=C\C(=O)N1CCCCO1 307892440 629822889 /nfs/dbraw/zinc/82/28/89/629822889.db2.gz FREAYIXILWBBCF-DJWKRKHSSA-N 0 0 155.197 1.117 10 0 ADAERN O=C(NOC/C=C\Cl)C1CC1 307894804 629823132 /nfs/dbraw/zinc/82/31/32/629823132.db2.gz HNPJPWJGHXJGRO-RJRFIUFISA-N 0 0 175.615 1.197 10 0 ADAERN CS[C@H](C)CC(=O)OC1CC1 307900639 629823169 /nfs/dbraw/zinc/82/31/69/629823169.db2.gz MUXSRUWMMNNVEI-ZCFIWIBFSA-N 0 0 174.265 1.834 10 0 ADAERN C/C=C\C(=O)N1C[C@H](C)C[C@H]1C 307925711 629824475 /nfs/dbraw/zinc/82/44/75/629824475.db2.gz GKVBULXXQLZHRT-UVSMVFJQSA-N 0 0 167.252 1.819 10 0 ADAERN C[C@@H]1C[C@@H]1C(=O)OCC(C)(C)F 307940303 629825177 /nfs/dbraw/zinc/82/51/77/629825177.db2.gz BLZKOWHENNQTTG-RQJHMYQMSA-N 0 0 174.215 1.934 10 0 ADAERN C/C=C\C(=O)N1CCS[C@@H](C)C1 307937816 629825439 /nfs/dbraw/zinc/82/54/39/629825439.db2.gz 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/nfs/dbraw/zinc/82/66/18/629826618.db2.gz PKAWFVUMVLRDKQ-UHFFFAOYSA-N 0 0 180.150 1.164 10 0 ADAERN CO[C@@H](C)CCOC(=O)C1CC1 307996340 629827065 /nfs/dbraw/zinc/82/70/65/629827065.db2.gz WOHYLRGFPYIZSF-ZETCQYMHSA-N 0 0 172.224 1.365 10 0 ADAERN CCc1noc(CCC(F)F)n1 307976953 629827208 /nfs/dbraw/zinc/82/72/08/629827208.db2.gz LYOCPYASRVUJAC-UHFFFAOYSA-N 0 0 176.166 1.830 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)NOC 307992235 629827648 /nfs/dbraw/zinc/82/76/48/629827648.db2.gz UGWVZDVCDCPHPY-BQBZGAKWSA-N 0 0 172.228 1.036 10 0 ADAERN CC[C@H](SC)C(=O)OCC(C)=O 307970785 629827728 /nfs/dbraw/zinc/82/77/28/629827728.db2.gz GYEICTFMVPKAOY-ZETCQYMHSA-N 0 0 190.264 1.260 10 0 ADAERN C=COCCOC(=O)C=C(C)C 307964058 629828000 /nfs/dbraw/zinc/82/80/00/629828000.db2.gz POVJTNCXRRICHX-UHFFFAOYSA-N 0 0 170.208 1.656 10 0 ADAERN CCC[C@@H]1C[C@@H]1NC(=O)NOC 307992241 629828190 /nfs/dbraw/zinc/82/81/90/629828190.db2.gz UGWVZDVCDCPHPY-RQJHMYQMSA-N 0 0 172.228 1.036 10 0 ADAERN C/C=C/C=C\C(=O)OC[C@H](C)O 307976314 629828236 /nfs/dbraw/zinc/82/82/36/629828236.db2.gz HVTJOXLPLJPOJO-MSZWJBESSA-N 0 0 170.208 1.043 10 0 ADAERN C[C@@H]1COC[C@@H](C)N1C/C=C\Cl 307960471 629828363 /nfs/dbraw/zinc/82/83/63/629828363.db2.gz WFNZVMJOCYEBBM-UREXNXCXSA-N 0 0 189.686 1.848 10 0 ADAERN CCC(=O)O[C@H](COC)C(C)C 308037828 629833963 /nfs/dbraw/zinc/83/39/63/629833963.db2.gz LLVVVHREWKEGAP-MRVPVSSYSA-N 0 0 174.240 1.611 10 0 ADAERN CSC[C@@H](C)NC(=O)/C=C/C1CC1 308199682 629844088 /nfs/dbraw/zinc/84/40/88/629844088.db2.gz WVBGBAVPLFYMBK-HQZHTGGTSA-N 0 0 199.319 1.820 10 0 ADAERN C/C=C\COC(=O)COCC 307853251 629830505 /nfs/dbraw/zinc/83/05/05/629830505.db2.gz BJBSPTWKEWXAGK-HYXAFXHYSA-N 0 0 158.197 1.142 10 0 ADAERN C/C=C/COC(=O)COCC 307853247 629830575 /nfs/dbraw/zinc/83/05/75/629830575.db2.gz BJBSPTWKEWXAGK-HWKANZROSA-N 0 0 158.197 1.142 10 0 ADAERN C/C=C(\C)C(=O)N1[C@@H](C)C[C@H]1C 308055391 629831938 /nfs/dbraw/zinc/83/19/38/629831938.db2.gz UHTMGCBDFSKONA-AXDPDMTESA-N 0 0 167.252 1.962 10 0 ADAERN CCCCC[C@H](O)CC(=O)NC 308048280 629831903 /nfs/dbraw/zinc/83/19/03/629831903.db2.gz QMEXQDXCHHWMNC-QMMMGPOBSA-N 0 0 173.256 1.064 10 0 ADAERN C/C=C(\C)C(=O)N1[C@H](C)C[C@H]1C 308055395 629832184 /nfs/dbraw/zinc/83/21/84/629832184.db2.gz UHTMGCBDFSKONA-LKJMDQPVSA-N 0 0 167.252 1.962 10 0 ADAERN CCC(CC)OC(=O)C1COC1 308049047 629832223 /nfs/dbraw/zinc/83/22/23/629832223.db2.gz QZHJWGNMDICPIQ-UHFFFAOYSA-N 0 0 172.224 1.365 10 0 ADAERN CCCCC[C@@H](O)CC(=O)NC 308048278 629832404 /nfs/dbraw/zinc/83/24/04/629832404.db2.gz QMEXQDXCHHWMNC-MRVPVSSYSA-N 0 0 173.256 1.064 10 0 ADAERN O=C(Cc1cccs1)OC1CC1 308096864 629832759 /nfs/dbraw/zinc/83/27/59/629832759.db2.gz ZMLVFVWSQDCPRC-UHFFFAOYSA-N 0 0 182.244 1.996 10 0 ADAERN CCO[C@H](C)C(=O)OC1CCC1 308022902 629833403 /nfs/dbraw/zinc/83/34/03/629833403.db2.gz XBIWFHFJDLUPGH-SSDOTTSWSA-N 0 0 172.224 1.507 10 0 ADAERN CCC(=O)O[C@@H](COC)C(C)C 308037829 629833499 /nfs/dbraw/zinc/83/34/99/629833499.db2.gz LLVVVHREWKEGAP-QMMMGPOBSA-N 0 0 174.240 1.611 10 0 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307195556 630153796 /nfs/dbraw/zinc/15/37/96/630153796.db2.gz RTSSAAWRRMNINV-JTQLQIEISA-N 0 0 184.235 1.651 10 0 ADAERN O=C(OC1CCC1)C1CCOCC1 307205232 630153815 /nfs/dbraw/zinc/15/38/15/630153815.db2.gz GNPQZCBVBXVCJA-UHFFFAOYSA-N 0 0 184.235 1.509 10 0 ADAERN C[C@H](O)[C@H](C)NC(=O)[C@H]1CC=CCC1 307219195 630153823 /nfs/dbraw/zinc/15/38/23/630153823.db2.gz GZPXSSOZVAJWAR-GUBZILKMSA-N 0 0 197.278 1.228 10 0 ADAERN C1=C(C2CC2)N2CCN=C2S1 307179791 630153831 /nfs/dbraw/zinc/15/38/31/630153831.db2.gz IVJSYIQVCPZWMB-UHFFFAOYSA-N 0 0 166.249 1.656 10 0 ADAERN C/C=C/CNc1ncnc2c1CCC2 307218329 630153847 /nfs/dbraw/zinc/15/38/47/630153847.db2.gz CSDFBGYVYLOZMT-NSCUHMNNSA-N 0 0 189.262 1.953 10 0 ADAERN O=C(OC1CCOCC1)C1CC1 307197578 630153961 /nfs/dbraw/zinc/15/39/61/630153961.db2.gz WHAXRRKDARCYOW-UHFFFAOYSA-N 0 0 170.208 1.119 10 0 ADAERN O=C(OC1CC1)[C@H]1CCCCS1 307183931 630154229 /nfs/dbraw/zinc/15/42/29/630154229.db2.gz AOLKTNXPVVYTLU-MRVPVSSYSA-N 0 0 186.276 1.978 10 0 ADAERN C/C=C(/C)C(=O)NC1(C(F)F)CC1 307207546 630154407 /nfs/dbraw/zinc/15/44/07/630154407.db2.gz MRAYRGMDHFQCRO-UTCJRWHESA-N 0 0 189.205 1.867 10 0 ADAERN CNC(=S)NCCC1=CCCC1 307196543 630154450 /nfs/dbraw/zinc/15/44/50/630154450.db2.gz UCPLPKONVAETRC-UHFFFAOYSA-N 0 0 184.308 1.581 10 0 ADAERN C[C@]1(C(=O)OC2CCC2)CCCO1 307195557 630154539 /nfs/dbraw/zinc/15/45/39/630154539.db2.gz RTSSAAWRRMNINV-SNVBAGLBSA-N 0 0 184.235 1.651 10 0 ADAERN CCc1cc(NC(=O)C(C)(C)F)n[nH]1 307193156 630154578 /nfs/dbraw/zinc/15/45/78/630154578.db2.gz NHIDDODNMGSZLA-UHFFFAOYSA-N 0 0 199.229 1.659 10 0 ADAERN C1=CO[C@@H](CNc2cccnn2)CC1 307188677 630154917 /nfs/dbraw/zinc/15/49/17/630154917.db2.gz BRBUDFLONSDGME-SECBINFHSA-N 0 0 191.234 1.581 10 0 ADAERN Cc1cc(N[C@H](C)[C@H](C)O)nc(C)n1 307263295 630155261 /nfs/dbraw/zinc/15/52/61/630155261.db2.gz UWYAKQSNSSDZMS-SFYZADRCSA-N 0 0 195.266 1.275 10 0 ADAERN CC(C)=CC(=O)Nc1ccc(=O)[nH]c1 307284607 630155610 /nfs/dbraw/zinc/15/56/10/630155610.db2.gz JOJHLVTVHISQPO-UHFFFAOYSA-N 0 0 192.218 1.692 10 0 ADAERN CON(C)C[C@H]1CCCCO1 307270751 630155638 /nfs/dbraw/zinc/15/56/38/630155638.db2.gz HXMKFFNVZBBONL-MRVPVSSYSA-N 0 0 159.229 1.049 10 0 ADAERN CC(C)=CC(=O)N1CC[C@@H](O)C1(C)C 307266340 630155733 /nfs/dbraw/zinc/15/57/33/630155733.db2.gz DDYDZYHNZYIRIE-SECBINFHSA-N 0 0 197.278 1.324 10 0 ADAERN CSc1cnc(N2CC(C)C2)nc1 307283519 630155938 /nfs/dbraw/zinc/15/59/38/630155938.db2.gz JZOANPUXSJYUGY-UHFFFAOYSA-N 0 0 195.291 1.655 10 0 ADAERN CC1(C)CC(NC(=O)n2ccnc2)C1 307273847 630155995 /nfs/dbraw/zinc/15/59/95/630155995.db2.gz XLBCYZVHBVIUFB-UHFFFAOYSA-N 0 0 193.250 1.629 10 0 ADAERN CC1(F)CN(C(=O)/C=C/C2CC2)C1 307284050 630156029 /nfs/dbraw/zinc/15/60/29/630156029.db2.gz IYMAWEPGLFRDEJ-SNAWJCMRSA-N 0 0 183.226 1.523 10 0 ADAERN C[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC1(C)C 307262489 630156153 /nfs/dbraw/zinc/15/61/53/630156153.db2.gz WZNFOJMQZYTFEY-VGMNWLOBSA-N 0 0 197.278 1.014 10 0 ADAERN CC1(F)CN(C(=O)[C@@H]2CC2(C)C)C1 307226222 630156326 /nfs/dbraw/zinc/15/63/26/630156326.db2.gz VJVUUUBJECCWNV-ZETCQYMHSA-N 0 0 185.242 1.603 10 0 ADAERN C[C@H](O)[C@@H](C)NC(=O)C1CCCCC1 307276272 630156490 /nfs/dbraw/zinc/15/64/90/630156490.db2.gz VPHKEBLFMAPOGP-BDAKNGLRSA-N 0 0 199.294 1.452 10 0 ADAERN C=CC(=O)N1CCOCC12CCCC2 307248271 630156495 /nfs/dbraw/zinc/15/64/95/630156495.db2.gz FBOPXWFCAYQBMC-UHFFFAOYSA-N 0 0 195.262 1.344 10 0 ADAERN C[C@@H]1CN(C(=O)C(F)F)[C@H](C)[C@H]1C 307241135 630156590 /nfs/dbraw/zinc/15/65/90/630156590.db2.gz HRPCAUAYTODIDT-DSYKOEDSSA-N 0 0 191.221 1.754 10 0 ADAERN Cc1cc(N[C@H](C)[C@@H](C)O)nc(C)n1 307263293 630156824 /nfs/dbraw/zinc/15/68/24/630156824.db2.gz UWYAKQSNSSDZMS-HTQZYQBOSA-N 0 0 195.266 1.275 10 0 ADAERN CC1=NN(CC(C)(C)C)C(=O)[C@@H]1F 307247656 630157143 /nfs/dbraw/zinc/15/71/43/630157143.db2.gz HRFOQDNZPVWRRT-SSDOTTSWSA-N 0 0 186.230 1.589 10 0 ADAERN CCn1ccc(=O)cc1Cl 307257239 630157178 /nfs/dbraw/zinc/15/71/78/630157178.db2.gz FDGRDLWTLALRNK-UHFFFAOYSA-N 0 0 157.600 1.522 10 0 ADAERN CC(C)=CC(=O)N1CC[C@H](O)C1(C)C 307266341 630157231 /nfs/dbraw/zinc/15/72/31/630157231.db2.gz DDYDZYHNZYIRIE-VIFPVBQESA-N 0 0 197.278 1.324 10 0 ADAERN Cc1cc(N[C@@H](C)[C@@H](C)O)nc(C)n1 307263294 630157271 /nfs/dbraw/zinc/15/72/71/630157271.db2.gz UWYAKQSNSSDZMS-JGVFFNPUSA-N 0 0 195.266 1.275 10 0 ADAERN CONC(=O)[C@@H]1CC=CC[C@H]1C 307268916 630157295 /nfs/dbraw/zinc/15/72/95/630157295.db2.gz GFTQQRZDYVKREV-HTQZYQBOSA-N 0 0 169.224 1.266 10 0 ADAERN C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC1(C)C 307262485 630157670 /nfs/dbraw/zinc/15/76/70/630157670.db2.gz WZNFOJMQZYTFEY-HLTSFMKQSA-N 0 0 197.278 1.014 10 0 ADAERN CC(C)ONC(=O)[C@@H]1CCC[C@H]1C 307281955 630157692 /nfs/dbraw/zinc/15/76/92/630157692.db2.gz KJKNJTUJHMDVRY-RKDXNWHRSA-N 0 0 185.267 1.879 10 0 ADAERN CC[C@H](C)NC(=S)N[C@@H]1C[C@H]1C 307229765 630157823 /nfs/dbraw/zinc/15/78/23/630157823.db2.gz CVKIUOUIQDCFOI-GJMOJQLCSA-N 0 0 186.324 1.657 10 0 ADAERN CC1=NN(CC(C)(C)C)C(=O)[C@H]1F 307247658 630157832 /nfs/dbraw/zinc/15/78/32/630157832.db2.gz HRFOQDNZPVWRRT-ZETCQYMHSA-N 0 0 186.230 1.589 10 0 ADAERN Cc1occc1C(=O)N[C@@H](C)[C@H](C)O 307236233 630157896 /nfs/dbraw/zinc/15/78/96/630157896.db2.gz NLPRUNGJZAROCC-BQBZGAKWSA-N 0 0 197.234 1.087 10 0 ADAERN CC[C@@H](C)NC(=S)N[C@@H]1C[C@H]1C 307229750 630157970 /nfs/dbraw/zinc/15/79/70/630157970.db2.gz CVKIUOUIQDCFOI-BWZBUEFSSA-N 0 0 186.324 1.657 10 0 ADAERN O=C1OCC[C@@H]1N[C@H]1CCC[C@H]2C[C@H]21 307361394 630164979 /nfs/dbraw/zinc/16/49/79/630164979.db2.gz HKTSUCZXLQYZIT-JXUBOQSCSA-N 0 0 195.262 1.080 10 0 ADAERN Cn1cccc1C(=O)OC1CC1 307303304 630159946 /nfs/dbraw/zinc/15/99/46/630159946.db2.gz VWVNPZKNXBHLCS-UHFFFAOYSA-N 0 0 165.192 1.344 10 0 ADAERN Cc1[nH]nc(C(=O)OC2CC2)c1C 307313122 630159997 /nfs/dbraw/zinc/15/99/97/630159997.db2.gz JUPJCJYFGLKMQJ-UHFFFAOYSA-N 0 0 180.207 1.346 10 0 ADAERN CC1(CNC(=O)[C@@H]2CC2(C)C)CC1 307306512 630160538 /nfs/dbraw/zinc/16/05/38/630160538.db2.gz YBUPPLUHNIJWPT-QMMMGPOBSA-N 0 0 181.279 1.949 10 0 ADAERN CC(C)=CC(=O)N1CC(F)(F)C1 307295612 630160573 /nfs/dbraw/zinc/16/05/73/630160573.db2.gz DFJHAVIJDZKXSO-UHFFFAOYSA-N 0 0 175.178 1.430 10 0 ADAERN CCN(C)C(=O)[C@@H]1CC1(C)C 307286508 630160737 /nfs/dbraw/zinc/16/07/37/630160737.db2.gz RBAPECYZAGYNQL-ZETCQYMHSA-N 0 0 155.241 1.511 10 0 ADAERN CCNC(=S)N[C@H]1C[C@@H]1C(F)F 307307974 630160837 /nfs/dbraw/zinc/16/08/37/630160837.db2.gz ZMXBDSASKHOASU-WHFBIAKZSA-N 0 0 194.250 1.124 10 0 ADAERN C[C@H]1OCC[C@H]1OC(=O)C1CC1 307309452 630160958 /nfs/dbraw/zinc/16/09/58/630160958.db2.gz IEBHVHWABOQEJX-HTRCEHHLSA-N 0 0 170.208 1.117 10 0 ADAERN Cn1ncnc1-c1ccc(C=O)cc1 307312196 630161133 /nfs/dbraw/zinc/16/11/33/630161133.db2.gz JHFSPPCNYXCJTM-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN CSC1(COC(C)=O)CC1 307288251 630161212 /nfs/dbraw/zinc/16/12/12/630161212.db2.gz WTCLLGHQAVJKEL-UHFFFAOYSA-N 0 0 160.238 1.445 10 0 ADAERN CC/C=C(/C)C(=O)N1CC(F)(F)C1 307310742 630161367 /nfs/dbraw/zinc/16/13/67/630161367.db2.gz FOULOTHZKMGCOZ-DAXSKMNVSA-N 0 0 189.205 1.820 10 0 ADAERN C[C@H]1CC[C@@H]1NC(=O)C(C)(C)F 307290713 630161456 /nfs/dbraw/zinc/16/14/56/630161456.db2.gz BQTCHCTZYXNXSC-BQBZGAKWSA-N 0 0 173.231 1.649 10 0 ADAERN C[C@@H]1CC[C@@H](C(=O)OC2CC2)O1 307290127 630161469 /nfs/dbraw/zinc/16/14/69/630161469.db2.gz MSZGXIWKUVFXOT-SVRRBLITSA-N 0 0 170.208 1.260 10 0 ADAERN C[C@H]1CC[C@H](C(=O)OC2CC2)O1 307290118 630161498 /nfs/dbraw/zinc/16/14/98/630161498.db2.gz MSZGXIWKUVFXOT-POYBYMJQSA-N 0 0 170.208 1.260 10 0 ADAERN CC[C@H](C)NC(=O)[C@@]1(C)CCCO1 87230377 523989820 /nfs/dbraw/zinc/98/98/20/523989820.db2.gz FDPCLCTXIDXLTE-WCBMZHEXSA-N 0 0 185.267 1.470 10 0 ADAERN C/C=C/C=C/C(=O)N1CC(C)C1 307303820 630161585 /nfs/dbraw/zinc/16/15/85/630161585.db2.gz WCSWBPWVUGRVHZ-VNKDHWASSA-N 0 0 165.236 1.597 10 0 ADAERN CC(C)=CC(=O)N1C[C@@H](C)C[C@H](O)C1 307378733 630162238 /nfs/dbraw/zinc/16/22/38/630162238.db2.gz WZRKVIKXQQTUID-UWVGGRQHSA-N 0 0 197.278 1.182 10 0 ADAERN O=C(C1=CCCCO1)N1CCCC1 307386234 630162260 /nfs/dbraw/zinc/16/22/60/630162260.db2.gz ACCMZZXEEAASIL-UHFFFAOYSA-N 0 0 181.235 1.303 10 0 ADAERN Cn1cc(OC(=O)C(C)(C)C)cn1 307410032 630162267 /nfs/dbraw/zinc/16/22/67/630162267.db2.gz GGLYCKKQSSBZOC-UHFFFAOYSA-N 0 0 182.223 1.372 10 0 ADAERN CC1(C)C[C@H]1C(=O)N1CCCCN1 307413855 630162316 /nfs/dbraw/zinc/16/23/16/630162316.db2.gz SNDCHROIJRIWMR-QMMMGPOBSA-N 0 0 182.267 1.160 10 0 ADAERN CC(C)NC(=S)N[C@H](C)C(F)F 307387542 630162405 /nfs/dbraw/zinc/16/24/05/630162405.db2.gz MULYEBHELDERQH-RXMQYKEDSA-N 0 0 196.266 1.513 10 0 ADAERN CC(=O)O[C@H]1CCOC(C)(C)C1 307349976 630162419 /nfs/dbraw/zinc/16/24/19/630162419.db2.gz PFDWVUOIRJVXBL-QMMMGPOBSA-N 0 0 172.224 1.507 10 0 ADAERN CC(C)=CC(=O)N1C[C@H](C)C[C@@H](O)C1 307378730 630163020 /nfs/dbraw/zinc/16/30/20/630163020.db2.gz WZRKVIKXQQTUID-NXEZZACHSA-N 0 0 197.278 1.182 10 0 ADAERN O=C(/C=C/C1CC1)N1CC(F)C1 307409850 630163201 /nfs/dbraw/zinc/16/32/01/630163201.db2.gz OBQLODXPSKQJPU-ONEGZZNKSA-N 0 0 169.199 1.133 10 0 ADAERN C/C(=C\Cl)CSCC(N)=O 307407557 630163548 /nfs/dbraw/zinc/16/35/48/630163548.db2.gz DSBBLSVPQIDBMU-GORDUTHDSA-N 0 0 179.672 1.348 10 0 ADAERN C[C@@H]1CCN(CCF)C[C@H]1F 307400890 630163710 /nfs/dbraw/zinc/16/37/10/630163710.db2.gz HRYCDZGYFJHLCU-HTQZYQBOSA-N 0 0 163.211 1.636 10 0 ADAERN CCC1(C(=O)Nc2n[nH]cc2C)CC1 307394668 630164064 /nfs/dbraw/zinc/16/40/64/630164064.db2.gz DYOWNVAQMLCTJZ-UHFFFAOYSA-N 0 0 193.250 1.847 10 0 ADAERN CC(C)=CC(=O)N1C[C@@H](C)C[C@@H](O)C1 307378735 630164097 /nfs/dbraw/zinc/16/40/97/630164097.db2.gz WZRKVIKXQQTUID-VHSXEESVSA-N 0 0 197.278 1.182 10 0 ADAERN CC(C)NC(=S)N[C@@H](C)C(F)F 307387544 630164384 /nfs/dbraw/zinc/16/43/84/630164384.db2.gz MULYEBHELDERQH-YFKPBYRVSA-N 0 0 196.266 1.513 10 0 ADAERN Cc1cc(N2CC[C@@H]3C[C@@H]32)ncn1 307376983 630164556 /nfs/dbraw/zinc/16/45/56/630164556.db2.gz WKXJYQUYUOHMOO-BDAKNGLRSA-N 0 0 175.235 1.384 10 0 ADAERN O=c1sccn1CN1CC=CCC1 307387672 630164593 /nfs/dbraw/zinc/16/45/93/630164593.db2.gz DNLVHXSPPDQDFO-UHFFFAOYSA-N 0 0 196.275 1.129 10 0 ADAERN CSCSc1ncnn1C 307361942 630164867 /nfs/dbraw/zinc/16/48/67/630164867.db2.gz FSYURTQAXHCQMP-UHFFFAOYSA-N 0 0 175.282 1.228 10 0 ADAERN CCONC(=O)N[C@H]1CC[C@@H]1C 307392148 630164952 /nfs/dbraw/zinc/16/49/52/630164952.db2.gz XWKRKPKADOAKCA-BQBZGAKWSA-N 0 0 172.228 1.036 10 0 ADAERN C/C=C(/C)C(=O)N1CCCCO1 307342357 630165082 /nfs/dbraw/zinc/16/50/82/630165082.db2.gz HLUMGZZYTKBJQU-BAQGIRSFSA-N 0 0 169.224 1.507 10 0 ADAERN C[C@H](N[C@H]1COCC1(C)C)C(F)F 307435043 630166820 /nfs/dbraw/zinc/16/68/20/630166820.db2.gz NEGNACJBWYOURQ-BQBZGAKWSA-N 0 0 193.237 1.655 10 0 ADAERN C[C@H]1CCN(CCF)C[C@@H]1F 307400908 630165338 /nfs/dbraw/zinc/16/53/38/630165338.db2.gz HRYCDZGYFJHLCU-YUMQZZPRSA-N 0 0 163.211 1.636 10 0 ADAERN Cc1ccnc(N2CC[C@H]2C)n1 307443130 630166788 /nfs/dbraw/zinc/16/67/88/630166788.db2.gz BFLVZAPLJRBHQH-MRVPVSSYSA-N 0 0 163.224 1.384 10 0 ADAERN CSc1cnc(-n2ccnc2)nc1 307475994 630166799 /nfs/dbraw/zinc/16/67/99/630166799.db2.gz BVJJXJNQEPGGTJ-UHFFFAOYSA-N 0 0 192.247 1.384 10 0 ADAERN Cc1ccc(C(=O)N[C@H](C)[C@@H](C)O)o1 307457901 630166837 /nfs/dbraw/zinc/16/68/37/630166837.db2.gz GMGQBYKHKKWXOF-HTQZYQBOSA-N 0 0 197.234 1.087 10 0 ADAERN C[C@H](NC(=O)C(C)(C)F)c1cn[nH]c1 307422816 630167439 /nfs/dbraw/zinc/16/74/39/630167439.db2.gz IEECNWPHMPAQNL-LURJTMIESA-N 0 0 199.229 1.335 10 0 ADAERN C[C@H](N[C@@H]1COCC1(C)C)C(F)F 307435044 630167509 /nfs/dbraw/zinc/16/75/09/630167509.db2.gz NEGNACJBWYOURQ-NKWVEPMBSA-N 0 0 193.237 1.655 10 0 ADAERN CC(=O)OC/C=C/Br 307437632 630167702 /nfs/dbraw/zinc/16/77/02/630167702.db2.gz UZBFOKXWIDFHFL-NSCUHMNNSA-N 0 0 179.013 1.458 10 0 ADAERN Cc1ccnc(N2CC[C@@H]2C)n1 307443133 630167784 /nfs/dbraw/zinc/16/77/84/630167784.db2.gz BFLVZAPLJRBHQH-QMMMGPOBSA-N 0 0 163.224 1.384 10 0 ADAERN O=C(C(F)F)N1C[C@H]2CCC[C@@H]21 307457474 630168153 /nfs/dbraw/zinc/16/81/53/630168153.db2.gz FXIDIMNUZDRXNX-RITPCOANSA-N 0 0 175.178 1.262 10 0 ADAERN O=C(C(F)F)N1C[C@H]2CCC[C@H]21 307457473 630168280 /nfs/dbraw/zinc/16/82/80/630168280.db2.gz FXIDIMNUZDRXNX-PHDIDXHHSA-N 0 0 175.178 1.262 10 0 ADAERN CON(C)Cc1ccncc1Cl 307476867 630168371 /nfs/dbraw/zinc/16/83/71/630168371.db2.gz AOJJDKAEXWDAGR-UHFFFAOYSA-N 0 0 186.642 1.728 10 0 ADAERN CC(C)C1(N[C@@H]2CCOC2=O)CC1 307474047 630168563 /nfs/dbraw/zinc/16/85/63/630168563.db2.gz IVFMQSORVJUSEV-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN C[C@@H]1CC[C@@H](OC(=O)C(C)(C)O)C1 307425399 630168603 /nfs/dbraw/zinc/16/86/03/630168603.db2.gz WCNLSWLRZQMNAW-HTQZYQBOSA-N 0 0 186.251 1.489 10 0 ADAERN COC(=O)[C@H]1Cc2ccccc2S1 88046513 523996698 /nfs/dbraw/zinc/99/66/98/523996698.db2.gz AIJXYFZRSMYVBQ-SECBINFHSA-N 0 0 194.255 1.876 10 0 ADAERN C[C@@H]1CCN(C(=O)C=C2CCC2)C1 307466233 630169356 /nfs/dbraw/zinc/16/93/56/630169356.db2.gz ATQUKDXDLUHCMD-SECBINFHSA-N 0 0 179.263 1.965 10 0 ADAERN CC1(C2(NC(=O)C(F)F)CC2)CC1 307451864 630169382 /nfs/dbraw/zinc/16/93/82/630169382.db2.gz RFOQHGKIEDUSPX-UHFFFAOYSA-N 0 0 189.205 1.700 10 0 ADAERN O=C(C(F)F)N1C[C@@H]2CCC[C@H]21 307457472 630169385 /nfs/dbraw/zinc/16/93/85/630169385.db2.gz FXIDIMNUZDRXNX-NTSWFWBYSA-N 0 0 175.178 1.262 10 0 ADAERN CCCNC(=S)N[C@@H]1CC[C@@H]1C 307447705 630169300 /nfs/dbraw/zinc/16/93/00/630169300.db2.gz JKDXTLFZQFUFCB-JGVFFNPUSA-N 0 0 186.324 1.659 10 0 ADAERN O=C(C(F)F)N1C[C@@H]2CCC[C@@H]21 307457475 630169428 /nfs/dbraw/zinc/16/94/28/630169428.db2.gz FXIDIMNUZDRXNX-WDSKDSINSA-N 0 0 175.178 1.262 10 0 ADAERN C[C@H]1CCN(C(=O)C=C2CCC2)C1 307466234 630169475 /nfs/dbraw/zinc/16/94/75/630169475.db2.gz ATQUKDXDLUHCMD-VIFPVBQESA-N 0 0 179.263 1.965 10 0 ADAERN CC(C)C1(N[C@H]2CCOC2=O)CC1 307474049 630169505 /nfs/dbraw/zinc/16/95/05/630169505.db2.gz IVFMQSORVJUSEV-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN CN(C#N)C(=O)C1CC(C)(C)C1 307495963 630170324 /nfs/dbraw/zinc/17/03/24/630170324.db2.gz BTAXCLUDBFIZLX-UHFFFAOYSA-N 0 0 166.224 1.362 10 0 ADAERN O=C(/C=C/C1CC1)N1CCC1 307582891 630170890 /nfs/dbraw/zinc/17/08/90/630170890.db2.gz WPUOLQGWHSPOQA-SNAWJCMRSA-N 0 0 151.209 1.185 10 0 ADAERN CCCC(=O)N1CCOCC[C@H]1C 307583015 630171135 /nfs/dbraw/zinc/17/11/35/630171135.db2.gz XFIZMCZSJXSGAZ-SECBINFHSA-N 0 0 185.267 1.424 10 0 ADAERN C[C@H]1[C@@H](C)O[C@H](C)CN1CCF 307576101 630171405 /nfs/dbraw/zinc/17/14/05/630171405.db2.gz JTLLWWFEGYVWFO-HRDYMLBCSA-N 0 0 175.247 1.454 10 0 ADAERN CC(=O)O[C@@H](C)c1nnc(C)s1 307563330 630171442 /nfs/dbraw/zinc/17/14/42/630171442.db2.gz AMLFUVJPDDFPFF-BYPYZUCNSA-N 0 0 186.236 1.471 10 0 ADAERN CC(=O)OCc1cc(F)ncc1F 307554142 630171447 /nfs/dbraw/zinc/17/14/47/630171447.db2.gz SBWBIYUKQQTEHQ-UHFFFAOYSA-N 0 0 187.145 1.423 10 0 ADAERN C[C@@H]1O[C@H](C)CN(CCF)[C@H]1C 307576105 630171576 /nfs/dbraw/zinc/17/15/76/630171576.db2.gz JTLLWWFEGYVWFO-VGMNWLOBSA-N 0 0 175.247 1.454 10 0 ADAERN O[C@H](CN1CCC(F)(F)C1)C1CC1 307566098 630171638 /nfs/dbraw/zinc/17/16/38/630171638.db2.gz NUPOAXMCQIYOMR-MRVPVSSYSA-N 0 0 191.221 1.098 10 0 ADAERN CC[C@@H](C)OC(=O)[C@@H]1C[C@H]1C 307565452 630171716 /nfs/dbraw/zinc/17/17/16/630171716.db2.gz MNHWKWCVIRKMDU-BWZBUEFSSA-N 0 0 156.225 1.984 10 0 ADAERN O=C(/C=C/C1CC1)N[C@H]1CCSC1 307550749 630171969 /nfs/dbraw/zinc/17/19/69/630171969.db2.gz OYCWSGJIHCSPHS-NWALNABHSA-N 0 0 197.303 1.574 10 0 ADAERN CC1CN(C(=O)[C@@H]2CC2(C)C)C1 307553482 630172012 /nfs/dbraw/zinc/17/20/12/630172012.db2.gz RFKVXBWRCMGGNS-QMMMGPOBSA-N 0 0 167.252 1.511 10 0 ADAERN CONC(=O)CC1(C)CCCC1 307583733 630172078 /nfs/dbraw/zinc/17/20/78/630172078.db2.gz ZPVQDMMWNWSGBQ-UHFFFAOYSA-N 0 0 171.240 1.634 10 0 ADAERN CC(=O)O[C@H](C)c1nnc(C)s1 307563331 630172115 /nfs/dbraw/zinc/17/21/15/630172115.db2.gz AMLFUVJPDDFPFF-SCSAIBSYSA-N 0 0 186.236 1.471 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)O[C@H]1CCCOC1 307563547 630172491 /nfs/dbraw/zinc/17/24/91/630172491.db2.gz PICMJQJKOSSFTN-CIUDSAMLSA-N 0 0 184.235 1.365 10 0 ADAERN C[C@@H]1O[C@H](C)CN(CCF)[C@@H]1C 307576099 630172551 /nfs/dbraw/zinc/17/25/51/630172551.db2.gz JTLLWWFEGYVWFO-HLTSFMKQSA-N 0 0 175.247 1.454 10 0 ADAERN O=C(/C=C/C1CC1)N[C@@H]1CCSC1 307550748 630172562 /nfs/dbraw/zinc/17/25/62/630172562.db2.gz OYCWSGJIHCSPHS-CDAZIORVSA-N 0 0 197.303 1.574 10 0 ADAERN C[C@@H]1CN(CCF)[C@H](C)[C@@H](C)O1 307576103 630172632 /nfs/dbraw/zinc/17/26/32/630172632.db2.gz JTLLWWFEGYVWFO-IWSPIJDZSA-N 0 0 175.247 1.454 10 0 ADAERN CCCSCc1cnn(C)n1 307560761 630172641 /nfs/dbraw/zinc/17/26/41/630172641.db2.gz ICSROZCFWUQIOF-UHFFFAOYSA-N 0 0 171.269 1.458 10 0 ADAERN O=C(OC1CCC1)c1cscn1 307546770 630172741 /nfs/dbraw/zinc/17/27/41/630172741.db2.gz ACWBMXFDZNPCKR-UHFFFAOYSA-N 0 0 183.232 1.852 10 0 ADAERN O[C@@H](CN1CCC(F)(F)C1)C1CC1 307566100 630172772 /nfs/dbraw/zinc/17/27/72/630172772.db2.gz NUPOAXMCQIYOMR-QMMMGPOBSA-N 0 0 191.221 1.098 10 0 ADAERN CC[C@@H](N)c1nc(-c2ccon2)no1 307572698 630172910 /nfs/dbraw/zinc/17/29/10/630172910.db2.gz DOFYZPFMLUSBNE-RXMQYKEDSA-N 0 0 194.194 1.134 10 0 ADAERN O=C(OCCF)c1ccc[nH]1 307554599 630172929 /nfs/dbraw/zinc/17/29/29/630172929.db2.gz AEGDCEDMANUWHH-UHFFFAOYSA-N 0 0 157.144 1.141 10 0 ADAERN CC(C)C(=O)NOC/C=C/Cl 307557806 630172931 /nfs/dbraw/zinc/17/29/31/630172931.db2.gz CEAPPZUAYXLUQU-ONEGZZNKSA-N 0 0 177.631 1.443 10 0 ADAERN O=C(NCc1ccon1)C1=CCC1 307623654 630175346 /nfs/dbraw/zinc/17/53/46/630175346.db2.gz QSZFYUBQNDTZBZ-UHFFFAOYSA-N 0 0 178.191 1.011 10 0 ADAERN CS/C=C/C(=O)N1CCCO1 307622263 630175829 /nfs/dbraw/zinc/17/58/29/630175829.db2.gz GVDYFLYSLWVDHQ-ZZXKWVIFSA-N 0 0 173.237 1.027 10 0 ADAERN Cn1cnnc1-c1ccccc1C=O 307607699 630175914 /nfs/dbraw/zinc/17/59/14/630175914.db2.gz FOCNUOATHKDMAI-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN CON(C)Cc1cnc(Cl)cn1 307609160 630176116 /nfs/dbraw/zinc/17/61/16/630176116.db2.gz DNCDSKGUCUBSGG-UHFFFAOYSA-N 0 0 187.630 1.123 10 0 ADAERN C[C@H](OC(=O)C1CC1)C1CC1 307624785 630176277 /nfs/dbraw/zinc/17/62/77/630176277.db2.gz OJHCEANYJITWRM-LURJTMIESA-N 0 0 154.209 1.738 10 0 ADAERN CC(C)C(=O)OCC(C)(C)F 307622771 630176399 /nfs/dbraw/zinc/17/63/99/630176399.db2.gz LNIYZBCJQMKNJB-UHFFFAOYSA-N 0 0 162.204 1.934 10 0 ADAERN CC1(COC(=O)C2CC2)CC1 307627527 630176424 /nfs/dbraw/zinc/17/64/24/630176424.db2.gz JKXNERUQEOCTDW-UHFFFAOYSA-N 0 0 154.209 1.740 10 0 ADAERN O=C(/C=C/C1CC1)NC1CCC1 307612234 630176792 /nfs/dbraw/zinc/17/67/92/630176792.db2.gz HRDLPKWRRKRGLG-VOTSOKGWSA-N 0 0 165.236 1.621 10 0 ADAERN CCC(=O)OC[C@H]1CCSC1 307608471 630176829 /nfs/dbraw/zinc/17/68/29/630176829.db2.gz DFUPIFUUQPHOAG-SSDOTTSWSA-N 0 0 174.265 1.693 10 0 ADAERN CC(C)OC(=O)N1CCCOC1 307631256 630176863 /nfs/dbraw/zinc/17/68/63/630176863.db2.gz XXVIGLSOGCDDTF-UHFFFAOYSA-N 0 0 173.212 1.211 10 0 ADAERN CCNC(=O)C=C(CC)CC 307624149 630177136 /nfs/dbraw/zinc/17/71/36/630177136.db2.gz FMQPBAZXAVUSKJ-UHFFFAOYSA-N 0 0 155.241 1.869 10 0 ADAERN C[C@H](OC(=O)C1CC1)C(F)F 307608165 630177161 /nfs/dbraw/zinc/17/71/61/630177161.db2.gz CVKDUZRYOFFKHJ-BYPYZUCNSA-N 0 0 164.151 1.593 10 0 ADAERN CC(C)C(=O)OCC1(F)CC1 307623347 630177756 /nfs/dbraw/zinc/17/77/56/630177756.db2.gz LYNFVIIYBMFJOJ-UHFFFAOYSA-N 0 0 160.188 1.688 10 0 ADAERN CCNc1nc(N)nc(C(C)(C)C)n1 307614138 630178031 /nfs/dbraw/zinc/17/80/31/630178031.db2.gz NUWAIPDRVQPBDI-UHFFFAOYSA-N 0 0 195.270 1.183 10 0 ADAERN O=C(CC(F)(F)F)NN1CCCC1 307641039 630178670 /nfs/dbraw/zinc/17/86/70/630178670.db2.gz IDGNICLULXFFSU-UHFFFAOYSA-N 0 0 196.172 1.066 10 0 ADAERN Cc1nc(-c2cnn(C)n2)cs1 307634096 630178723 /nfs/dbraw/zinc/17/87/23/630178723.db2.gz SCJNKZYHLDTUSM-UHFFFAOYSA-N 0 0 180.236 1.247 10 0 ADAERN CCCC(=O)N[C@H](C)C(F)F 307651599 630178905 /nfs/dbraw/zinc/17/89/05/630178905.db2.gz IVMBJHLVEFVXBX-RXMQYKEDSA-N 0 0 165.183 1.556 10 0 ADAERN CC(C)=CC(=O)N1C[C@H]2CCC[C@H]21 307658904 630178954 /nfs/dbraw/zinc/17/89/54/630178954.db2.gz DOCKRNPYLCTWII-NXEZZACHSA-N 0 0 179.263 1.964 10 0 ADAERN CC(C)[C@H](F)C(=O)OC1CC1 307643347 630178968 /nfs/dbraw/zinc/17/89/68/630178968.db2.gz OVXCIHPQSURGGJ-ZETCQYMHSA-N 0 0 160.188 1.686 10 0 ADAERN CCC(=O)OC1(C)CCC1 307642057 630178983 /nfs/dbraw/zinc/17/89/83/630178983.db2.gz JINATZIYSKYRDV-UHFFFAOYSA-N 0 0 142.198 1.882 10 0 ADAERN CCC(=O)OC1(C2CC2)CC1 307639701 630179078 /nfs/dbraw/zinc/17/90/78/630179078.db2.gz CSOUCHOVBIXMEV-UHFFFAOYSA-N 0 0 154.209 1.882 10 0 ADAERN C[C@H]1CCN(C(=O)C(F)F)C[C@H]1F 307653888 630179087 /nfs/dbraw/zinc/17/90/87/630179087.db2.gz VCXCCQKYEIUBJA-NTSWFWBYSA-N 0 0 195.184 1.458 10 0 ADAERN COCc1noc([C@@H]2CC2(C)C)n1 307640862 630179096 /nfs/dbraw/zinc/17/90/96/630179096.db2.gz HVXLKVIWPJWLEF-LURJTMIESA-N 0 0 182.223 1.730 10 0 ADAERN CCCC(=O)N[C@@H](C)C(F)F 307651600 630179139 /nfs/dbraw/zinc/17/91/39/630179139.db2.gz IVMBJHLVEFVXBX-YFKPBYRVSA-N 0 0 165.183 1.556 10 0 ADAERN CC(C)(F)C(=O)N1CCCCCO1 307705161 630184426 /nfs/dbraw/zinc/18/44/26/630184426.db2.gz XZXYYHWKTORRQH-UHFFFAOYSA-N 0 0 189.230 1.679 10 0 ADAERN CC1=CCN(C(=O)C(C)(C)F)CC1 307659232 630179166 /nfs/dbraw/zinc/17/91/66/630179166.db2.gz BVZPFYGUNUESKX-UHFFFAOYSA-N 0 0 185.242 1.913 10 0 ADAERN COCCSC1=N[C@@H](C)CS1 307725343 630187907 /nfs/dbraw/zinc/18/79/07/630187907.db2.gz BRDNYEZYWRBWMH-LURJTMIESA-N 0 0 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/nfs/dbraw/zinc/23/50/53/630235053.db2.gz WQUAHIYRZLGONP-JGVFFNPUSA-N 0 0 179.223 1.097 10 0 ADAERN CCC(=O)NOc1ccccc1 149911439 630237017 /nfs/dbraw/zinc/23/70/17/630237017.db2.gz FFYWNZWYMSXHOY-UHFFFAOYSA-N 0 0 165.192 1.507 10 0 ADAERN CC(C)=C(C)C(=O)N[C@H]1CCCOC1 751195733 630239727 /nfs/dbraw/zinc/23/97/27/630239727.db2.gz RWTZIPBTWXLNAZ-JTQLQIEISA-N 0 0 197.278 1.638 10 0 ADAERN CCC1CN(C(=O)CCF)C1 909574105 630239969 /nfs/dbraw/zinc/23/99/69/630239969.db2.gz VBTPVBHJEYSHSN-UHFFFAOYSA-N 0 0 159.204 1.214 10 0 ADAERN CC(C)=C(C)C(=O)N[C@@H]1CCCOC1 751195734 630240151 /nfs/dbraw/zinc/24/01/51/630240151.db2.gz RWTZIPBTWXLNAZ-SNVBAGLBSA-N 0 0 197.278 1.638 10 0 ADAERN CCOC(=O)C[C@H]1CCC(C)=C[C@@H]1O 143335819 630242001 /nfs/dbraw/zinc/24/20/01/630242001.db2.gz PWTAMWGJXHFJIR-ZJUUUORDSA-N 0 0 198.262 1.657 10 0 ADAERN CCOC(=O)C[C@H]1CCC(C)=C[C@H]1O 143336197 630242200 /nfs/dbraw/zinc/24/22/00/630242200.db2.gz PWTAMWGJXHFJIR-NXEZZACHSA-N 0 0 198.262 1.657 10 0 ADAERN 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POUKEHJZUWYWIV-XMYQNILUSA-N 0 0 194.234 1.853 10 0 ADAERN CCC(=O)OC[C@@H](C)COC 143468222 630248050 /nfs/dbraw/zinc/24/80/50/630248050.db2.gz UDSZEKMXIFTZIT-ZETCQYMHSA-N 0 0 160.213 1.222 10 0 ADAERN CCOC(=O)/C=C/c1nccn1CC 143823505 630248908 /nfs/dbraw/zinc/24/89/08/630248908.db2.gz QZLFFJJNKJTNND-AATRIKPKSA-N 0 0 194.234 1.479 10 0 ADAERN COC/C=C\c1nc([C@@H]2C[C@@H]2C)no1 866932603 630248979 /nfs/dbraw/zinc/24/89/79/630248979.db2.gz POUKEHJZUWYWIV-UIPXTHJYSA-N 0 0 194.234 1.853 10 0 ADAERN C[C@@H]1C=C[C@@](C)(O)CC1 143482095 630249511 /nfs/dbraw/zinc/24/95/11/630249511.db2.gz ZKNHTEPELGFCFH-HTQZYQBOSA-N 0 0 126.199 1.724 10 0 ADAERN C[C@@H]1C=C[C@](C)(O)CC1 143481870 630249984 /nfs/dbraw/zinc/24/99/84/630249984.db2.gz ZKNHTEPELGFCFH-SFYZADRCSA-N 0 0 126.199 1.724 10 0 ADAERN COC/C=C\c1nc([C@@H]2C[C@H]2C)no1 866932602 630249997 /nfs/dbraw/zinc/24/99/97/630249997.db2.gz POUKEHJZUWYWIV-PYWFFMSPSA-N 0 0 194.234 1.853 10 0 ADAERN O=Cc1c(F)ccc(F)c1C=O 143572482 630250370 /nfs/dbraw/zinc/25/03/70/630250370.db2.gz QZIZNJVYKAHICW-UHFFFAOYSA-N 0 0 170.114 1.590 10 0 ADAERN C[C@H](C1CCOCC1)n1cc(N)cn1 143965925 630254400 /nfs/dbraw/zinc/25/44/00/630254400.db2.gz GXMGHDPPCWCDAQ-MRVPVSSYSA-N 0 0 195.266 1.453 10 0 ADAERN CC(=O)OCc1ccnc(Cl)c1 143551112 630252570 /nfs/dbraw/zinc/25/25/70/630252570.db2.gz IFBKJDOWZKSUNS-UHFFFAOYSA-N 0 0 185.610 1.798 10 0 ADAERN C=CCOC(=O)[C@@H]1CC1(C)C 143441162 630252593 /nfs/dbraw/zinc/25/25/93/630252593.db2.gz RPIHJUAQNGSSHZ-ZETCQYMHSA-N 0 0 154.209 1.762 10 0 ADAERN COC/C=C/c1nc([C@@H]2C[C@H]2C)no1 866932601 630252667 /nfs/dbraw/zinc/25/26/67/630252667.db2.gz POUKEHJZUWYWIV-ATXJSMISSA-N 0 0 194.234 1.853 10 0 ADAERN CCOC1=N[C@@H](CC)C(OCC)=NC1 143460384 630253620 /nfs/dbraw/zinc/25/36/20/630253620.db2.gz KZJDHBYPNDEMGI-QMMMGPOBSA-N 0 0 198.266 1.649 10 0 ADAERN CCOC1=N[C@H](CC)C(OCC)=NC1 143460582 630253705 /nfs/dbraw/zinc/25/37/05/630253705.db2.gz KZJDHBYPNDEMGI-MRVPVSSYSA-N 0 0 198.266 1.649 10 0 ADAERN CC(C)COC(=O)C(C)(C)F 307624539 630253806 /nfs/dbraw/zinc/25/38/06/630253806.db2.gz FXBBXXDFUDVAKJ-UHFFFAOYSA-N 0 0 162.204 1.934 10 0 ADAERN C[C@@H]([C@H]([NH3+])CC(=O)[O-])C(C)(C)C 143967459 630254305 /nfs/dbraw/zinc/25/43/05/630254305.db2.gz KFXSVCSDFYHEMH-NKWVEPMBSA-N 0 0 173.256 1.471 10 0 ADAERN CNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 897339502 630254318 /nfs/dbraw/zinc/25/43/18/630254318.db2.gz DBAIWYZCRBQKRT-VHSXEESVSA-N 0 0 191.230 1.242 10 0 ADAERN C[C@H](CC(C)(C)C)C(=O)OCCO 143889024 630254361 /nfs/dbraw/zinc/25/43/61/630254361.db2.gz XRTDXHZEWIQWDA-MRVPVSSYSA-N 0 0 188.267 1.594 10 0 ADAERN CC[C@@H](CC(F)F)C(=O)NC 897340118 630254471 /nfs/dbraw/zinc/25/44/71/630254471.db2.gz LUDKQIVKHANNJK-YFKPBYRVSA-N 0 0 165.183 1.414 10 0 ADAERN CNc1cccc2c1OCCCO2 143963633 630254572 /nfs/dbraw/zinc/25/45/72/630254572.db2.gz KBWBUXDMRHRRSR-UHFFFAOYSA-N 0 0 179.219 1.890 10 0 ADAERN CCn1nccc1/C=C/C(=O)OC 143867069 630254583 /nfs/dbraw/zinc/25/45/83/630254583.db2.gz YDNHJVZUXMGPLD-SNAWJCMRSA-N 0 0 180.207 1.089 10 0 ADAERN CC[C@H](CC(F)F)C(=O)NC 897340117 630254612 /nfs/dbraw/zinc/25/46/12/630254612.db2.gz LUDKQIVKHANNJK-RXMQYKEDSA-N 0 0 165.183 1.414 10 0 ADAERN C[C@H]([C@H]([NH3+])CC(=O)[O-])C(C)(C)C 143967651 630254635 /nfs/dbraw/zinc/25/46/35/630254635.db2.gz KFXSVCSDFYHEMH-RNFRBKRXSA-N 0 0 173.256 1.471 10 0 ADAERN CCCC[C@H]1CC[NH2+][C@H](C(=O)[O-])C1 143945466 630254652 /nfs/dbraw/zinc/25/46/52/630254652.db2.gz YJGGBMKCNMLJBD-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H](C1CCOCC1)n1cc(N)cn1 143965719 630254665 /nfs/dbraw/zinc/25/46/65/630254665.db2.gz GXMGHDPPCWCDAQ-QMMMGPOBSA-N 0 0 195.266 1.453 10 0 ADAERN COC(C)(C)C(=O)OCC(C)C 143977861 630254758 /nfs/dbraw/zinc/25/47/58/630254758.db2.gz WZSXRVZSFSQJRZ-UHFFFAOYSA-N 0 0 174.240 1.611 10 0 ADAERN C[C@@H](CC(C)(C)C)C(=O)OCCO 143888825 630254792 /nfs/dbraw/zinc/25/47/92/630254792.db2.gz XRTDXHZEWIQWDA-QMMMGPOBSA-N 0 0 188.267 1.594 10 0 ADAERN CCCC[C@@H]1CC[NH2+][C@H](C(=O)[O-])C1 143945270 630254805 /nfs/dbraw/zinc/25/48/05/630254805.db2.gz YJGGBMKCNMLJBD-BDAKNGLRSA-N 0 0 185.267 1.629 10 0 ADAERN C[C@@H](c1nc(CC2CC2)no1)N(C)C 350592830 630259896 /nfs/dbraw/zinc/25/98/96/630259896.db2.gz ICWFKUXSSOPBAS-ZETCQYMHSA-N 0 0 195.266 1.645 10 0 ADAERN CNC(=O)Cc1ccsc1 70186723 524075945 /nfs/dbraw/zinc/07/59/45/524075945.db2.gz FXMXEZPUVTXLAU-UHFFFAOYSA-N 0 0 155.222 1.037 10 0 ADAERN CNC(=O)N1[C@@H](C)CC[C@@H]1C 238342512 524077117 /nfs/dbraw/zinc/07/71/17/524077117.db2.gz ADNDOUIOUYUGLB-BQBZGAKWSA-N 0 0 156.229 1.199 10 0 ADAERN CNC(=O)N1CC[C@@H](C(C)C)C1 130004036 524077151 /nfs/dbraw/zinc/07/71/51/524077151.db2.gz MPKGBOOXDRHDOY-MRVPVSSYSA-N 0 0 170.256 1.304 10 0 ADAERN CNC(=O)N1CC[C@H](C(C)C)C1 130004238 524077197 /nfs/dbraw/zinc/07/71/97/524077197.db2.gz MPKGBOOXDRHDOY-QMMMGPOBSA-N 0 0 170.256 1.304 10 0 ADAERN CNC(=O)NCC1(C)CCC1 226778002 524078850 /nfs/dbraw/zinc/07/88/50/524078850.db2.gz JADGUVSECYTLPA-UHFFFAOYSA-N 0 0 156.229 1.106 10 0 ADAERN CNC(=O)N[C@@H]1COc2ccccc21 136323175 524079698 /nfs/dbraw/zinc/07/96/98/524079698.db2.gz AJEMAXNZAJUKRE-MRVPVSSYSA-N 0 0 192.218 1.049 10 0 ADAERN CNC(=O)Nc1cc(F)ccc1OC 258628949 524079892 /nfs/dbraw/zinc/07/98/92/524079892.db2.gz DEKQCKFWFBJDSC-UHFFFAOYSA-N 0 0 198.197 1.586 10 0 ADAERN CNC(=O)Nc1ccc(F)c(OC)c1 162918246 524080039 /nfs/dbraw/zinc/08/00/39/524080039.db2.gz FOYKCCSDUCVXQB-UHFFFAOYSA-N 0 0 198.197 1.586 10 0 ADAERN CCc1noc(/C=C/[C@H]2CCCO2)n1 351279648 630271024 /nfs/dbraw/zinc/27/10/24/630271024.db2.gz CMKLFCSWJBHJPT-HQZHTGGTSA-N 0 0 194.234 1.824 10 0 ADAERN COCCOC(=O)C(C)(C)C 79601851 630271156 /nfs/dbraw/zinc/27/11/56/630271156.db2.gz BJQVGZMQTXMWMG-UHFFFAOYSA-N 0 0 160.213 1.222 10 0 ADAERN C[C@@H]1COC[C@@H]1NC(=O)/C=C/C1CC1 928898333 630271331 /nfs/dbraw/zinc/27/13/31/630271331.db2.gz DKZXCHXYHZFTJV-OBKXUREESA-N 0 0 195.262 1.104 10 0 ADAERN C[C@@H]1COC[C@@H]1NC(=O)/C=C\C1CC1 928898339 630271354 /nfs/dbraw/zinc/27/13/54/630271354.db2.gz DKZXCHXYHZFTJV-WKMOSUKVSA-N 0 0 195.262 1.104 10 0 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/nfs/dbraw/zinc/74/73/89/630747389.db2.gz DDRJEVQOZQMYGN-LLVKDONJSA-N 0 0 193.246 1.865 10 0 ADAERN Cc1cc([C@@H]2CCOC2)on1 901393586 630747429 /nfs/dbraw/zinc/74/74/29/630747429.db2.gz POKSYNHSXOJMPX-SSDOTTSWSA-N 0 0 153.181 1.487 10 0 ADAERN COC[C@](C)(O)c1cc(C2CC2)no1 901397463 630747518 /nfs/dbraw/zinc/74/75/18/630747518.db2.gz YOYWCWBDOLGWSL-JTQLQIEISA-N 0 0 197.234 1.406 10 0 ADAERN Cc1cc(C2CC3(C2)OCCO3)on1 901395276 630747635 /nfs/dbraw/zinc/74/76/35/630747635.db2.gz WXUNVBSCVWGCJA-UHFFFAOYSA-N 0 0 195.218 1.604 10 0 ADAERN COC[C@H](O)Cc1cc(C2CC2)no1 901393240 630747550 /nfs/dbraw/zinc/74/75/50/630747550.db2.gz BOMWIANSSMGBNP-MRVPVSSYSA-N 0 0 197.234 1.102 10 0 ADAERN CC[C@H](O)c1cc([C@@H]2CCCO2)no1 901397448 630747556 /nfs/dbraw/zinc/74/75/56/630747556.db2.gz YCDVXVXMZRUNPH-IUCAKERBSA-N 0 0 197.234 1.970 10 0 ADAERN COC(=O)c1cc([C@@H]2CCCO2)no1 901396898 630747587 /nfs/dbraw/zinc/74/75/87/630747587.db2.gz RUUNORRHLBTMHG-ZETCQYMHSA-N 0 0 197.190 1.313 10 0 ADAERN 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630747907 /nfs/dbraw/zinc/74/79/07/630747907.db2.gz LMPAYEVTKVHILP-UHFFFAOYSA-N 0 0 196.250 1.623 10 0 ADAERN CCNC(=O)CC1CC(OCC)C1 232163028 630747951 /nfs/dbraw/zinc/74/79/51/630747951.db2.gz DECUTVSTPRCTSP-UHFFFAOYSA-N 0 0 185.267 1.328 10 0 ADAERN CO[C@H](C)SCCCO 901563500 630748081 /nfs/dbraw/zinc/74/80/81/630748081.db2.gz ANXYCPUCJBWECZ-LURJTMIESA-N 0 0 150.243 1.094 10 0 ADAERN CCOC(=O)[C@H](N)C/C(C)=C/Cl 232004242 630748147 /nfs/dbraw/zinc/74/81/47/630748147.db2.gz UQESXLNSCBVETF-WEWAHIQMSA-N 0 0 191.658 1.410 10 0 ADAERN CO[C@@H](C)SCCCO 901563501 630748579 /nfs/dbraw/zinc/74/85/79/630748579.db2.gz ANXYCPUCJBWECZ-ZCFIWIBFSA-N 0 0 150.243 1.094 10 0 ADAERN FC1(F)[C@H]2C[C@H](Cn3ccnn3)C[C@H]21 902223420 630748661 /nfs/dbraw/zinc/74/86/61/630748661.db2.gz BHRNDTAOIBVVGI-WHUPJOBBSA-N 0 0 199.204 1.569 10 0 ADAERN CC(=O)c1cccnc1-n1ccnc1 232581484 630748766 /nfs/dbraw/zinc/74/87/66/630748766.db2.gz GBOLKURJIIDRPB-UHFFFAOYSA-N 0 0 187.202 1.470 10 0 ADAERN CC(=O)COC(=O)c1cccc(O)c1 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/nfs/dbraw/zinc/82/44/97/630824497.db2.gz DFFFYARCBBNHJY-SUBKEKBDSA-N 0 0 185.654 1.607 10 0 ADAERN CC1(C)CC(NC(=O)CCF)C1 912724968 630824512 /nfs/dbraw/zinc/82/45/12/630824512.db2.gz XXRNJJNMZOGIGN-UHFFFAOYSA-N 0 0 173.231 1.651 10 0 ADAERN C/C=C\[C@H](O)C(=O)NCC1CC=CC1 912989028 630824526 /nfs/dbraw/zinc/82/45/26/630824526.db2.gz CBROUTICXSSJMX-ODTOEKCJSA-N 0 0 195.262 1.006 10 0 ADAERN CC1(C)CC(NC(=O)CC2COC2)C1 912723425 630824531 /nfs/dbraw/zinc/82/45/31/630824531.db2.gz FUPLCVODTQZRMX-UHFFFAOYSA-N 0 0 197.278 1.328 10 0 ADAERN O=C(CCF)NC[C@@H]1CC[C@H]2C[C@H]2C1 912972371 630824577 /nfs/dbraw/zinc/82/45/77/630824577.db2.gz NMURCXJWKVTULP-KXUCPTDWSA-N 0 0 199.269 1.898 10 0 ADAERN C/C(Cl)=C\C(=O)N1C[C@H]2C[C@H]2C1 912983600 630824583 /nfs/dbraw/zinc/82/45/83/630824583.db2.gz DFFFYARCBBNHJY-GYCWBDGOSA-N 0 0 185.654 1.607 10 0 ADAERN C/C=C/[C@@H](O)C(=O)N(C1CC1)C1CC1 913013066 630824595 /nfs/dbraw/zinc/82/45/95/630824595.db2.gz PKWWPVNLEHYIMU-VMZHVLLKSA-N 0 0 195.262 1.077 10 0 ADAERN C/C=C/[C@H](O)C(=O)NC1CC(C)(C)C1 912723700 630824724 /nfs/dbraw/zinc/82/47/24/630824724.db2.gz OPDDKBNINQCCEK-MOVJSRMASA-N 0 0 197.278 1.228 10 0 ADAERN CCCOC(=O)[C@H]1CCO[C@H]1CC 233219006 630824786 /nfs/dbraw/zinc/82/47/86/630824786.db2.gz GCAFITUVOGCXAU-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN C1CC1Cc1noc(C2CSC2)n1 923818448 630824930 /nfs/dbraw/zinc/82/49/30/630824930.db2.gz ARSAWWSVVHOKHF-UHFFFAOYSA-N 0 0 196.275 1.853 10 0 ADAERN O=C(CCF)NCc1ccns1 912777720 630824985 /nfs/dbraw/zinc/82/49/85/630824985.db2.gz YKZAXBVWSAEOIV-UHFFFAOYSA-N 0 0 188.227 1.119 10 0 ADAERN C/C=C/[C@H](O)C(=O)N(C1CC1)C1CC1 913013065 630825070 /nfs/dbraw/zinc/82/50/70/630825070.db2.gz PKWWPVNLEHYIMU-PBKGFPTLSA-N 0 0 195.262 1.077 10 0 ADAERN C/C=C\[C@@H](O)C(=O)NC1CC(C)(C)C1 912723703 630825319 /nfs/dbraw/zinc/82/53/19/630825319.db2.gz OPDDKBNINQCCEK-XRVBUDJMSA-N 0 0 197.278 1.228 10 0 ADAERN O=C(CCF)N1CC(CC2CC2)C1 912830903 630825385 /nfs/dbraw/zinc/82/53/85/630825385.db2.gz NHTGYYMHFMJMNL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/82/66/69/630826669.db2.gz MSGOOTGFHWVSDY-DTWKUNHWSA-N 0 0 185.267 1.328 10 0 ADAERN CCC[C@@]([NH3+])(CC)CC(=O)[O-] 233315670 630825779 /nfs/dbraw/zinc/82/57/79/630825779.db2.gz GQGUCJFUPBZVBK-QMMMGPOBSA-N 0 0 159.229 1.369 10 0 ADAERN CCCOC(=O)[C@H]1CCO[C@@H]1CC 233219004 630825791 /nfs/dbraw/zinc/82/57/91/630825791.db2.gz GCAFITUVOGCXAU-DTWKUNHWSA-N 0 0 186.251 1.755 10 0 ADAERN CCCNC(=O)[C@H]1CCO[C@H]1CC 233068517 630825848 /nfs/dbraw/zinc/82/58/48/630825848.db2.gz MSGOOTGFHWVSDY-IUCAKERBSA-N 0 0 185.267 1.328 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1[C@H](C)[C@H]1OCC 913166229 630825923 /nfs/dbraw/zinc/82/59/23/630825923.db2.gz KUJSAEGHXRXZHW-CNJMYIFSSA-N 0 0 197.278 1.350 10 0 ADAERN C/C=C/CNC(=O)[C@H](O)/C=C\CCC 913167275 630826017 /nfs/dbraw/zinc/82/60/17/630826017.db2.gz ZQZKFNSFFVDJRD-OCDIGVQLSA-N 0 0 197.278 1.396 10 0 ADAERN Cc1ccc(O)cc1NC(=O)CCF 913152643 630826027 /nfs/dbraw/zinc/82/60/27/630826027.db2.gz PUISNSUOXQLZEI-UHFFFAOYSA-N 0 0 197.209 1.999 10 0 ADAERN CC=CCNC(=O)c1[nH]cnc1CC 913166361 630826071 /nfs/dbraw/zinc/82/60/71/630826071.db2.gz NTWVNCFBNXYRHE-HYXAFXHYSA-N 0 0 193.250 1.278 10 0 ADAERN CCCNC(=O)[C@@H]1CCO[C@@H]1CC 233068334 630826074 /nfs/dbraw/zinc/82/60/74/630826074.db2.gz MSGOOTGFHWVSDY-RKDXNWHRSA-N 0 0 185.267 1.328 10 0 ADAERN CCn1nc(C)cc1NC(=O)CCF 913173780 630826082 /nfs/dbraw/zinc/82/60/82/630826082.db2.gz OXHRGPRVKFRGRR-UHFFFAOYSA-N 0 0 199.229 1.510 10 0 ADAERN CC1(CNc2cc(=O)[nH]cn2)CCC1 233035746 630826113 /nfs/dbraw/zinc/82/61/13/630826113.db2.gz LPPLWAGFJDULIS-UHFFFAOYSA-N 0 0 193.250 1.372 10 0 ADAERN C/C=C/CNC(=O)[C@H](C)[C@H]1CCCO1 913166288 630826135 /nfs/dbraw/zinc/82/61/35/630826135.db2.gz MDFRWUBKPVJMHC-HIHHVFROSA-N 0 0 197.278 1.494 10 0 ADAERN C/C=C/CNC(=O)[C@H](C)[C@H](O)CC 913166996 630826148 /nfs/dbraw/zinc/82/61/48/630826148.db2.gz WJZPKKZFIXOUGX-FVOAXITGSA-N 0 0 185.267 1.086 10 0 ADAERN C/C=C\CNC(=O)[C@@H]1[C@H](C)[C@@H]1OCC 913166230 630826188 /nfs/dbraw/zinc/82/61/88/630826188.db2.gz KUJSAEGHXRXZHW-MSWXNHAGSA-N 0 0 197.278 1.350 10 0 ADAERN C/C=C/CNC(=O)c1cnc(C)n1C 913167282 630826246 /nfs/dbraw/zinc/82/62/46/630826246.db2.gz ZVENDXKLRLOOSR-SNAWJCMRSA-N 0 0 193.250 1.034 10 0 ADAERN CCC1(CNC(=O)n2ccnc2)CC1 232984511 630826345 /nfs/dbraw/zinc/82/63/45/630826345.db2.gz KCMCNZGRZHVYOX-UHFFFAOYSA-N 0 0 193.250 1.631 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)[C@@H]1CCCO1 913166291 630826404 /nfs/dbraw/zinc/82/64/04/630826404.db2.gz MDFRWUBKPVJMHC-QKMQQOOLSA-N 0 0 197.278 1.494 10 0 ADAERN CCC[NH2+]Cc1cccc(C(=O)[O-])n1 233078713 630826519 /nfs/dbraw/zinc/82/65/19/630826519.db2.gz DDJBEJANYIJIQC-UHFFFAOYSA-N 0 0 194.234 1.279 10 0 ADAERN CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)C(=O)[O-] 233309258 630826548 /nfs/dbraw/zinc/82/65/48/630826548.db2.gz YUPXUDFMUNBIAE-XLPZGREQSA-N 0 0 171.240 1.238 10 0 ADAERN C/C=C\CNC(=O)/C=C(/C)Cl 913167237 630826579 /nfs/dbraw/zinc/82/65/79/630826579.db2.gz ZHRFLGBWBOHUQA-CWWKMNTPSA-N 0 0 173.643 1.821 10 0 ADAERN CCCNC(=O)[C@@H]1CCO[C@H]1CC 233068344 630826608 /nfs/dbraw/zinc/82/66/08/630826608.db2.gz MSGOOTGFHWVSDY-BDAKNGLRSA-N 0 0 185.267 1.328 10 0 ADAERN C[C@@H](O)C(=O)N1CC=CC12CCCC2 913202325 630826681 /nfs/dbraw/zinc/82/66/81/630826681.db2.gz ABRHWYOVORXZOJ-SECBINFHSA-N 0 0 195.262 1.078 10 0 ADAERN C/C=C/CNC(=O)[C@H](O)/C=C/CCC 913167276 630826726 /nfs/dbraw/zinc/82/67/26/630826726.db2.gz ZQZKFNSFFVDJRD-OUQACBRMSA-N 0 0 197.278 1.396 10 0 ADAERN C/C=C/CNC(=O)/C=C(\C)Cl 913167239 630826762 /nfs/dbraw/zinc/82/67/62/630826762.db2.gz ZHRFLGBWBOHUQA-FZWLCVONSA-N 0 0 173.643 1.821 10 0 ADAERN C/C=C\CNC(=O)c1cnc(C)n1C 913167281 630826815 /nfs/dbraw/zinc/82/68/15/630826815.db2.gz ZVENDXKLRLOOSR-PLNGDYQASA-N 0 0 193.250 1.034 10 0 ADAERN COCC(=O)N1CC=CC12CCCC2 913194458 630826998 /nfs/dbraw/zinc/82/69/98/630826998.db2.gz JEEXEVWNULHTIT-UHFFFAOYSA-N 0 0 195.262 1.344 10 0 ADAERN Cc1ncccc1CNC(=O)CCF 913150851 630827186 /nfs/dbraw/zinc/82/71/86/630827186.db2.gz JGKHGSVVISVXNA-UHFFFAOYSA-N 0 0 196.225 1.366 10 0 ADAERN C[C@H](O)C(=O)N1CC=CC12CCCC2 913202326 630827242 /nfs/dbraw/zinc/82/72/42/630827242.db2.gz ABRHWYOVORXZOJ-VIFPVBQESA-N 0 0 195.262 1.078 10 0 ADAERN C/C=C/CNC(=O)C(=O)C(C)(C)CC 913166563 630827292 /nfs/dbraw/zinc/82/72/92/630827292.db2.gz QODLKTYAQZKQPT-FNORWQNLSA-N 0 0 197.278 1.684 10 0 ADAERN CCOC1CC(N[C@H](C)C(F)F)C1 233729493 630827304 /nfs/dbraw/zinc/82/73/04/630827304.db2.gz KOZHTPSEPZUNNF-JECWYVHBSA-N 0 0 193.237 1.797 10 0 ADAERN CN(C)C(=O)N1CC=CC12CCCC2 913201597 630827341 /nfs/dbraw/zinc/82/73/41/630827341.db2.gz SDMLUBRCCTYKFJ-UHFFFAOYSA-N 0 0 194.278 1.853 10 0 ADAERN C/C=C\CNC(=O)[C@H](O)/C=C/CCC 913167273 630827395 /nfs/dbraw/zinc/82/73/95/630827395.db2.gz ZQZKFNSFFVDJRD-BAGHIQQYSA-N 0 0 197.278 1.396 10 0 ADAERN Cc1cc(O)cc(NC(=O)CCF)c1 913339725 630827437 /nfs/dbraw/zinc/82/74/37/630827437.db2.gz MWOZVQJWKXUZLH-UHFFFAOYSA-N 0 0 197.209 1.999 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1[C@H](C)[C@H]1OCC 913166231 630827698 /nfs/dbraw/zinc/82/76/98/630827698.db2.gz KUJSAEGHXRXZHW-SRNCSDOOSA-N 0 0 197.278 1.350 10 0 ADAERN C/C=C/CNC(=O)[C@H](C)[C@@H]1CCCO1 913166290 630827777 /nfs/dbraw/zinc/82/77/77/630827777.db2.gz MDFRWUBKPVJMHC-OKWQPMOJSA-N 0 0 197.278 1.494 10 0 ADAERN C/C=C\CNC(=O)[C@H](O)/C=C\CCC 913167274 630827900 /nfs/dbraw/zinc/82/79/00/630827900.db2.gz ZQZKFNSFFVDJRD-NFMFQZBHSA-N 0 0 197.278 1.396 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)[C@H]1CCCO1 913166289 630827921 /nfs/dbraw/zinc/82/79/21/630827921.db2.gz MDFRWUBKPVJMHC-HWKXXFMVSA-N 0 0 197.278 1.494 10 0 ADAERN CC=CCNC(=O)c1[nH]cnc1CC 913166360 630827937 /nfs/dbraw/zinc/82/79/37/630827937.db2.gz NTWVNCFBNXYRHE-HWKANZROSA-N 0 0 193.250 1.278 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)[C@H](O)CC 913166997 630827964 /nfs/dbraw/zinc/82/79/64/630827964.db2.gz WJZPKKZFIXOUGX-FXFQRMSGSA-N 0 0 185.267 1.086 10 0 ADAERN CCOCCCNc1cc(C)cnn1 233735345 630827976 /nfs/dbraw/zinc/82/79/76/630827976.db2.gz IYHRFERMDYTNRC-UHFFFAOYSA-N 0 0 195.266 1.624 10 0 ADAERN CCOC(=O)[C@@H](N)C/C=C/Cl 233694725 630827987 /nfs/dbraw/zinc/82/79/87/630827987.db2.gz VUSPAIOXZPFUIM-QVQDZQDPSA-N 0 0 177.631 1.019 10 0 ADAERN C/C=C\CNC(=O)[C@H](C)[C@@H](O)CC 913166999 630828003 /nfs/dbraw/zinc/82/80/03/630828003.db2.gz WJZPKKZFIXOUGX-XGLIGSBPSA-N 0 0 185.267 1.086 10 0 ADAERN CCOC(=O)[C@@H]1CCO[C@H]1CC 233695130 630828024 /nfs/dbraw/zinc/82/80/24/630828024.db2.gz IUBUFVFJCBUNKH-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN C/C=C\CNC(=O)C(=O)C(C)(C)CC 913166562 630828052 /nfs/dbraw/zinc/82/80/52/630828052.db2.gz QODLKTYAQZKQPT-ALCCZGGFSA-N 0 0 197.278 1.684 10 0 ADAERN CCC[C@]([NH3+])(CC)CC(=O)[O-] 233360693 630828061 /nfs/dbraw/zinc/82/80/61/630828061.db2.gz GQGUCJFUPBZVBK-MRVPVSSYSA-N 0 0 159.229 1.369 10 0 ADAERN CCC[C@H]1C[C@H]1NC(=O)n1ccnc1 233393306 630828105 /nfs/dbraw/zinc/82/81/05/630828105.db2.gz XXXAOLBOCPRXDI-DTWKUNHWSA-N 0 0 193.250 1.629 10 0 ADAERN CC(=O)N1CC=CC12CCCC2 913194459 630828118 /nfs/dbraw/zinc/82/81/18/630828118.db2.gz JEPKWQQCMODCBZ-UHFFFAOYSA-N 0 0 165.236 1.718 10 0 ADAERN C/C=C\CNC(=O)CCF 913167189 630828175 /nfs/dbraw/zinc/82/81/75/630828175.db2.gz YHSSXQRTKRRFSR-IHWYPQMZSA-N 0 0 145.177 1.038 10 0 ADAERN C/C=C/CNC(=O)[C@@H]1[C@H](C)[C@@H]1OCC 913166232 630828203 /nfs/dbraw/zinc/82/82/03/630828203.db2.gz KUJSAEGHXRXZHW-ZCPSBMCSSA-N 0 0 197.278 1.350 10 0 ADAERN CC[N@H+](C)Cc1cccc(C(=O)[O-])n1 233425015 630828323 /nfs/dbraw/zinc/82/83/23/630828323.db2.gz NEVITTJTNZYOMC-UHFFFAOYSA-N 0 0 194.234 1.232 10 0 ADAERN C/C=C/CNC(=O)CCF 913167190 630828382 /nfs/dbraw/zinc/82/83/82/630828382.db2.gz YHSSXQRTKRRFSR-NSCUHMNNSA-N 0 0 145.177 1.038 10 0 ADAERN C/C=C/CNC(=O)/C=C(/C)Cl 913167238 630828552 /nfs/dbraw/zinc/82/85/52/630828552.db2.gz ZHRFLGBWBOHUQA-FDTUMDBZSA-N 0 0 173.643 1.821 10 0 ADAERN CCOC[C@H](C)Nc1cc(C)cnn1 233737541 630828580 /nfs/dbraw/zinc/82/85/80/630828580.db2.gz MZERKERUGGPRFY-VIFPVBQESA-N 0 0 195.266 1.622 10 0 ADAERN CCOCCOC(=O)[C@@H](C)CC 64633423 630828597 /nfs/dbraw/zinc/82/85/97/630828597.db2.gz AAXXLILCYJPYIK-QMMMGPOBSA-N 0 0 174.240 1.612 10 0 ADAERN CCOCCNc1cc(C)cnn1 233737372 630828787 /nfs/dbraw/zinc/82/87/87/630828787.db2.gz AUFVPQUVYVHQFM-UHFFFAOYSA-N 0 0 181.239 1.233 10 0 ADAERN CCOC(=O)[C@@H]1CCO[C@@H]1CC 233695121 630828818 /nfs/dbraw/zinc/82/88/18/630828818.db2.gz IUBUFVFJCBUNKH-HTQZYQBOSA-N 0 0 172.224 1.365 10 0 ADAERN CCOC(=O)[C@H]1CCO[C@@H]1CC 233687401 630828962 /nfs/dbraw/zinc/82/89/62/630828962.db2.gz IUBUFVFJCBUNKH-JGVFFNPUSA-N 0 0 172.224 1.365 10 0 ADAERN CCC(=O)N1CC(c2ccccn2)C1 913371158 630828972 /nfs/dbraw/zinc/82/89/72/630828972.db2.gz MZOFKLRMIMKDET-UHFFFAOYSA-N 0 0 190.246 1.417 10 0 ADAERN CCC[C@H]1C[C@@H]1NC(=O)n1ccnc1 233400372 630829012 /nfs/dbraw/zinc/82/90/12/630829012.db2.gz XXXAOLBOCPRXDI-IUCAKERBSA-N 0 0 193.250 1.629 10 0 ADAERN CCOC1CC(N[C@@H](C)C(F)F)C1 233728817 630829055 /nfs/dbraw/zinc/82/90/55/630829055.db2.gz KOZHTPSEPZUNNF-KKMMWDRVSA-N 0 0 193.237 1.797 10 0 ADAERN O=C(CCF)N[C@H]1CCCC12CC2 913426377 630829154 /nfs/dbraw/zinc/82/91/54/630829154.db2.gz QTAJGUYIKFOJFG-QMMMGPOBSA-N 0 0 185.242 1.795 10 0 ADAERN CC(C)(F)CNC(=O)CCF 913424235 630829186 /nfs/dbraw/zinc/82/91/86/630829186.db2.gz WDTJBQAVLAGBQI-UHFFFAOYSA-N 0 0 165.183 1.210 10 0 ADAERN CCC[C@H](CCO)NC(=O)CCF 913430740 630829276 /nfs/dbraw/zinc/82/92/76/630829276.db2.gz FOTMRLVLSOGALQ-MRVPVSSYSA-N 0 0 191.246 1.013 10 0 ADAERN COc1cncc(NC(=O)CCF)c1 913427146 630829283 /nfs/dbraw/zinc/82/92/83/630829283.db2.gz KTMAJYARUUIRGB-UHFFFAOYSA-N 0 0 198.197 1.388 10 0 ADAERN CCC[C@H](O)CNc1cc(C)cnn1 233365659 630829302 /nfs/dbraw/zinc/82/93/02/630829302.db2.gz BOEYDSYNGZAGTJ-VIFPVBQESA-N 0 0 195.266 1.358 10 0 ADAERN C/C(Cl)=C\C(=O)NCC(C)(C)F 913423815 630829324 /nfs/dbraw/zinc/82/93/24/630829324.db2.gz ODAGNUJPZHUCAS-GQCTYLIASA-N 0 0 193.649 1.993 10 0 ADAERN CCOC(=O)[C@H](N)C/C=C/Cl 233691757 630829480 /nfs/dbraw/zinc/82/94/80/630829480.db2.gz VUSPAIOXZPFUIM-MXTDHUQFSA-N 0 0 177.631 1.019 10 0 ADAERN CCC[C@@H](CCO)NC(=O)CCF 913430741 630829492 /nfs/dbraw/zinc/82/94/92/630829492.db2.gz FOTMRLVLSOGALQ-QMMMGPOBSA-N 0 0 191.246 1.013 10 0 ADAERN O=C(CCF)N[C@@H]1CCCC12CC2 913426376 630829531 /nfs/dbraw/zinc/82/95/31/630829531.db2.gz QTAJGUYIKFOJFG-MRVPVSSYSA-N 0 0 185.242 1.795 10 0 ADAERN CC[C@@H](NC(=O)C(F)F)C(C)C 233902323 630829909 /nfs/dbraw/zinc/82/99/09/630829909.db2.gz YWHCKEFUTJRRBY-ZCFIWIBFSA-N 0 0 179.210 1.802 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)OC(C)C 233941492 630830153 /nfs/dbraw/zinc/83/01/53/630830153.db2.gz BELHLYKBUGGAKN-HTQZYQBOSA-N 0 0 171.240 1.920 10 0 ADAERN CC[C@@H]1OCC[C@@H]1C(=O)OC(C)C 233950682 630830452 /nfs/dbraw/zinc/83/04/52/630830452.db2.gz LMRVJNNCQYGAAK-IUCAKERBSA-N 0 0 186.251 1.753 10 0 ADAERN CC[C@@H]1OCC[C@@H]1C(=O)NCC(C)C 233938072 630830512 /nfs/dbraw/zinc/83/05/12/630830512.db2.gz SEHHKVOZPSAYQH-UWVGGRQHSA-N 0 0 199.294 1.574 10 0 ADAERN C/C=C/C(=O)N1CCCCO1 164230237 630830536 /nfs/dbraw/zinc/83/05/36/630830536.db2.gz FREAYIXILWBBCF-GORDUTHDSA-N 0 0 155.197 1.117 10 0 ADAERN CC[C@@H](CCO)Nc1cc(C)cnn1 233872422 630830596 /nfs/dbraw/zinc/83/05/96/630830596.db2.gz ZBJLTDLZJLUZTN-VIFPVBQESA-N 0 0 195.266 1.358 10 0 ADAERN CC[C@@H](COC)Nc1cc(C)cnn1 233885754 630830886 /nfs/dbraw/zinc/83/08/86/630830886.db2.gz SUOWKTQMIQJQMR-VIFPVBQESA-N 0 0 195.266 1.622 10 0 ADAERN CC[C@@H](O)CCNc1cc(C)cnn1 233910753 630830912 /nfs/dbraw/zinc/83/09/12/630830912.db2.gz VKODULHSQLEBIM-SECBINFHSA-N 0 0 195.266 1.358 10 0 ADAERN CC[C@@H]1OCC[C@@H]1C(=O)N(CC)CC 233929846 630831080 /nfs/dbraw/zinc/83/10/80/630831080.db2.gz LWZMMPOTDBQBFM-UWVGGRQHSA-N 0 0 199.294 1.670 10 0 ADAERN CC(C)CC(=O)OC1CCOCC1 163866633 630831250 /nfs/dbraw/zinc/83/12/50/630831250.db2.gz RMTQCKNKQLDKKZ-UHFFFAOYSA-N 0 0 186.251 1.755 10 0 ADAERN CCCC[C@H]1CCC[NH2+][C@H]1C(=O)[O-] 238243316 630831489 /nfs/dbraw/zinc/83/14/89/630831489.db2.gz JGPJQFLWLZCVRC-DTWKUNHWSA-N 0 0 185.267 1.629 10 0 ADAERN CCOC(=O)c1[nH]nc(N)c1C1CC1 238297087 630831561 /nfs/dbraw/zinc/83/15/61/630831561.db2.gz RODZQPHFRPILPS-UHFFFAOYSA-N 0 0 195.222 1.046 10 0 ADAERN CCCC[C@H]1CCC[NH2+][C@@H]1C(=O)[O-] 238243302 630831606 /nfs/dbraw/zinc/83/16/06/630831606.db2.gz JGPJQFLWLZCVRC-IUCAKERBSA-N 0 0 185.267 1.629 10 0 ADAERN CCC(=O)Nc1nc2cc[nH]cc-2n1 238217374 630831650 /nfs/dbraw/zinc/83/16/50/630831650.db2.gz DLJKHMNBMLZJAU-UHFFFAOYSA-N 0 0 190.206 1.306 10 0 ADAERN CON(C)C(=O)c1ncc(C)cc1C 238349090 630831696 /nfs/dbraw/zinc/83/16/96/630831696.db2.gz GJLHZVYILZQDIK-UHFFFAOYSA-N 0 0 194.234 1.332 10 0 ADAERN COC(=O)N1[C@H]2CC=CC[C@]21C 222039731 630831697 /nfs/dbraw/zinc/83/16/97/630831697.db2.gz SCNNNAHEVDMQRV-CEVVRISASA-N 0 0 167.208 1.546 10 0 ADAERN CN(C)C(=O)/C=C/C(C)(C)C 164328494 630832004 /nfs/dbraw/zinc/83/20/04/630832004.db2.gz DBFODXIGNYBNRR-VOTSOKGWSA-N 0 0 155.241 1.677 10 0 ADAERN CCC(=O)OC1CCC(OC)CC1 164315446 630832146 /nfs/dbraw/zinc/83/21/46/630832146.db2.gz CXRISYNKSDCWNX-UHFFFAOYSA-N 0 0 186.251 1.897 10 0 ADAERN C[C@]12CC=CC[C@@H]1OC(=O)N2 222039415 630833282 /nfs/dbraw/zinc/83/32/82/630833282.db2.gz QHZYHFLHUWZZKA-XPUUQOCRSA-N 0 0 153.181 1.204 10 0 ADAERN O=COCC/C=C\CCCOC=O 222046239 630833556 /nfs/dbraw/zinc/83/35/56/630833556.db2.gz YDOGUKVBSGJNIN-UPHRSURJSA-N 0 0 186.207 1.059 10 0 ADAERN O=C1CCCC=C[C@H]2C[C@H]12 222335611 630834097 /nfs/dbraw/zinc/83/40/97/630834097.db2.gz MWTBWEQXRSGLHY-YUMQZZPRSA-N 0 0 136.194 1.932 10 0 ADAERN O[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]2C[C@H]12 222345880 630834264 /nfs/dbraw/zinc/83/42/64/630834264.db2.gz AWJFVRNBKGISEO-QKCLAQEOSA-N 0 0 138.210 1.413 10 0 ADAERN CC(C)OC(=O)N1CCCCO1 164601417 630834646 /nfs/dbraw/zinc/83/46/46/630834646.db2.gz ZKTDCQOOJKJXCQ-UHFFFAOYSA-N 0 0 173.212 1.559 10 0 ADAERN CC[C@@H](C)Cc1cc(N)n(CCO)n1 164397281 630834910 /nfs/dbraw/zinc/83/49/10/630834910.db2.gz KOZJRVSYWSQVSY-MRVPVSSYSA-N 0 0 197.282 1.046 10 0 ADAERN CC(C)CNC(=O)/C=C/C1CC1 253462355 630834927 /nfs/dbraw/zinc/83/49/27/630834927.db2.gz KHCLHQSOXDRHBC-AATRIKPKSA-N 0 0 167.252 1.725 10 0 ADAERN CC[C@H](C)Cc1cc(N)n(CCO)n1 164397389 630835603 /nfs/dbraw/zinc/83/56/03/630835603.db2.gz KOZJRVSYWSQVSY-QMMMGPOBSA-N 0 0 197.282 1.046 10 0 ADAERN CCSCCNCc1ccon1 164820565 630835842 /nfs/dbraw/zinc/83/58/42/630835842.db2.gz YLCZWINFFOMZED-UHFFFAOYSA-N 0 0 186.280 1.517 10 0 ADAERN CC(C)SCC(=O)N1CCCO1 164356428 630835857 /nfs/dbraw/zinc/83/58/57/630835857.db2.gz CZIQSVHXJOTHBQ-UHFFFAOYSA-N 0 0 189.280 1.292 10 0 ADAERN CCCCNC(=O)N1CCCO1 164600798 630836161 /nfs/dbraw/zinc/83/61/61/630836161.db2.gz PONBSPZVZIVHNS-UHFFFAOYSA-N 0 0 172.228 1.133 10 0 ADAERN CC1=C[C@@H]2[C@H](O)CC[C@@H]12 222340500 630836458 /nfs/dbraw/zinc/83/64/58/630836458.db2.gz HCPDIGUAWVVHGT-BIIVOSGPSA-N 0 0 124.183 1.333 10 0 ADAERN Cc1ccc(/C=C\S(N)(=O)=O)cc1 199274515 630836502 /nfs/dbraw/zinc/83/65/02/630836502.db2.gz BATSYPGXFHOMJB-SREVYHEPSA-N 0 0 197.259 1.254 10 0 ADAERN C[C@]1(Cl)C(=O)[C@@H]2CCC[C@]21O 222401978 630836609 /nfs/dbraw/zinc/83/66/09/630836609.db2.gz AFQQQWJBIBAFRO-GEVIPFJHSA-N 0 0 174.627 1.098 10 0 ADAERN Cc1ccc(C=O)cc1-n1cncn1 164878332 630838100 /nfs/dbraw/zinc/83/81/00/630838100.db2.gz KDKFDNQJVZMEGC-UHFFFAOYSA-N 0 0 187.202 1.388 10 0 ADAERN OCCC1(CNc2nccs2)CC1 156832929 630838286 /nfs/dbraw/zinc/83/82/86/630838286.db2.gz YJCIXUILOREOIA-UHFFFAOYSA-N 0 0 198.291 1.718 10 0 ADAERN Cc1nc(N[C@H](C)C(C)C)cc(=O)[nH]1 165162839 630838309 /nfs/dbraw/zinc/83/83/09/630838309.db2.gz WYAPLZUIOHTYGE-SSDOTTSWSA-N 0 0 195.266 1.947 10 0 ADAERN C/C=C/C(=O)N1CCC([C@H](C)O)CC1 82275408 630838454 /nfs/dbraw/zinc/83/84/54/630838454.db2.gz RPLGDFKMTPERNE-NWALNABHSA-N 0 0 197.278 1.182 10 0 ADAERN C[C@@H](NC(=O)CC#N)c1cncs1 82275145 630838760 /nfs/dbraw/zinc/83/87/60/630838760.db2.gz CRZHISRIEHIRHI-ZCFIWIBFSA-N 0 0 195.247 1.234 10 0 ADAERN C#CCC(CC#C)C(=O)N1CCCC1 164909653 630838778 /nfs/dbraw/zinc/83/87/78/630838778.db2.gz ITXSFSBDUMPGEK-UHFFFAOYSA-N 0 0 189.258 1.272 10 0 ADAERN CC[C@@](C)(O)C(=O)N1CCCCC1 82217313 630838876 /nfs/dbraw/zinc/83/88/76/630838876.db2.gz DDOGBDSITOLIDD-SNVBAGLBSA-N 0 0 185.267 1.160 10 0 ADAERN CC(=O)Nc1c(C)cccc1C(N)=O 82274743 630838976 /nfs/dbraw/zinc/83/89/76/630838976.db2.gz IAOISBZBNICFSA-UHFFFAOYSA-N 0 0 192.218 1.052 10 0 ADAERN OCCNc1cncc2cccnc12 223136273 630839040 /nfs/dbraw/zinc/83/90/40/630839040.db2.gz CUWGAAYFOMLSPZ-UHFFFAOYSA-N 0 0 189.218 1.034 10 0 ADAERN CCCCOC(=O)c1cc(C)no1 33608638 630839054 /nfs/dbraw/zinc/83/90/54/630839054.db2.gz HTRHSZZDBULAMQ-UHFFFAOYSA-N 0 0 183.207 1.940 10 0 ADAERN C[C@@H]1CCO[C@@H]1C(=O)N1CCCC1 160263008 524538415 /nfs/dbraw/zinc/53/84/15/524538415.db2.gz PQGVVLQIEZCHEK-BDAKNGLRSA-N 0 0 183.251 1.034 10 0 ADAERN CC/C=C(/C)C(=O)N[C@H](C)C[C@H](C)O 165090148 630839330 /nfs/dbraw/zinc/83/93/30/630839330.db2.gz DXSNURUOSSAGFQ-VCNAMUQVSA-N 0 0 199.294 1.618 10 0 ADAERN C/C=C/C(=O)N[C@@H](C)c1cncs1 82275399 630839344 /nfs/dbraw/zinc/83/93/44/630839344.db2.gz ZVESCUYFMAKJFD-SDLBARTOSA-N 0 0 196.275 1.896 10 0 ADAERN CC/C=C(/C)C(=O)N[C@H](C)C[C@@H](C)O 165089937 630839731 /nfs/dbraw/zinc/83/97/31/630839731.db2.gz DXSNURUOSSAGFQ-WMDQRADGSA-N 0 0 199.294 1.618 10 0 ADAERN CC[C@](C)(O)C(=O)N1CCCCC1 82217312 630840039 /nfs/dbraw/zinc/84/00/39/630840039.db2.gz DDOGBDSITOLIDD-JTQLQIEISA-N 0 0 185.267 1.160 10 0 ADAERN O=[N+]([O-])c1c[nH]nc1CC1CC1 165123261 630840145 /nfs/dbraw/zinc/84/01/45/630840145.db2.gz WPZJTLGFIYDCRO-UHFFFAOYSA-N 0 0 167.168 1.270 10 0 ADAERN CC(C)C(=O)N[C@@H](C)c1cncs1 82275764 630840174 /nfs/dbraw/zinc/84/01/74/630840174.db2.gz XBQLDIFWRKKWLU-ZETCQYMHSA-N 0 0 198.291 1.976 10 0 ADAERN Cc1nc(N[C@@H](C)C(C)C)cc(=O)[nH]1 165162730 630840223 /nfs/dbraw/zinc/84/02/23/630840223.db2.gz WYAPLZUIOHTYGE-ZETCQYMHSA-N 0 0 195.266 1.947 10 0 ADAERN C/C=C/C(=O)N1CCC([C@@H](C)O)CC1 82275407 630840570 /nfs/dbraw/zinc/84/05/70/630840570.db2.gz RPLGDFKMTPERNE-CDAZIORVSA-N 0 0 197.278 1.182 10 0 ADAERN C/C=C/C(=O)N[C@H](C)c1cncs1 82275400 630840576 /nfs/dbraw/zinc/84/05/76/630840576.db2.gz ZVESCUYFMAKJFD-KGGZQZJCSA-N 0 0 196.275 1.896 10 0 ADAERN CCC(=O)N[C@@H](C)c1cncs1 82274843 630840726 /nfs/dbraw/zinc/84/07/26/630840726.db2.gz UHRWQGYDRYXTPY-LURJTMIESA-N 0 0 184.264 1.730 10 0 ADAERN CC(C)CCCn1cccc(N)c1=O 165314873 630841338 /nfs/dbraw/zinc/84/13/38/630841338.db2.gz YLUKSPWVUCHVCT-UHFFFAOYSA-N 0 0 194.278 1.867 10 0 ADAERN Nc1cc(-c2ccc3[nH]cnc3c2)[nH]n1 82589029 630842354 /nfs/dbraw/zinc/84/23/54/630842354.db2.gz DQKPEUXGHDXEST-UHFFFAOYSA-N 0 0 199.217 1.535 10 0 ADAERN CC(C)CCCn1cnc(N)n1 165313372 630842841 /nfs/dbraw/zinc/84/28/41/630842841.db2.gz FIMLBUDXINGEQN-UHFFFAOYSA-N 0 0 168.244 1.297 10 0 ADAERN CC(C)CCCn1ccc(N)n1 165312861 630843021 /nfs/dbraw/zinc/84/30/21/630843021.db2.gz CMOAZNBMFBQTHR-UHFFFAOYSA-N 0 0 167.256 1.902 10 0 ADAERN COCC[C@H](C)OC(=O)[C@H]1CC12CC2 817233506 630852772 /nfs/dbraw/zinc/85/27/72/630852772.db2.gz SFVZQAZHBLEGKD-DTWKUNHWSA-N 0 0 198.262 1.755 10 0 ADAERN Cc1cc(N)nn1Cc1ccccn1 165452227 630843704 /nfs/dbraw/zinc/84/37/04/630843704.db2.gz SEUDUEGTTQGWGH-UHFFFAOYSA-N 0 0 188.234 1.217 10 0 ADAERN CC(C)OC(=O)N1CC=CCC1 165964150 630844419 /nfs/dbraw/zinc/84/44/19/630844419.db2.gz HCTRQVMZAHYICO-UHFFFAOYSA-N 0 0 169.224 1.793 10 0 ADAERN CC[C@@H](C)c1noc(CNC)n1 57340830 630844508 /nfs/dbraw/zinc/84/45/08/630844508.db2.gz HOZQAOFOVSQMMU-ZCFIWIBFSA-N 0 0 169.228 1.303 10 0 ADAERN Cn1nncc1-c1cccc(F)c1 82951999 630844533 /nfs/dbraw/zinc/84/45/33/630844533.db2.gz WNHGDCSALWYJJW-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN CC[C@@H](C)c1noc(CNC2CC2)n1 57340859 630844648 /nfs/dbraw/zinc/84/46/48/630844648.db2.gz VFLGCGDRRNDSPG-SSDOTTSWSA-N 0 0 195.266 1.835 10 0 ADAERN CC[C@H](C)c1noc(CNC)n1 57340833 630844794 /nfs/dbraw/zinc/84/47/94/630844794.db2.gz HOZQAOFOVSQMMU-LURJTMIESA-N 0 0 169.228 1.303 10 0 ADAERN CCO[C@@H](C)c1nc(N(C)C)no1 349603477 630844857 /nfs/dbraw/zinc/84/48/57/630844857.db2.gz MUYJMUHXUFSXOC-LURJTMIESA-N 0 0 185.227 1.233 10 0 ADAERN CC[C@H](C)c1noc(CNC2CC2)n1 57340862 630844956 /nfs/dbraw/zinc/84/49/56/630844956.db2.gz VFLGCGDRRNDSPG-ZETCQYMHSA-N 0 0 195.266 1.835 10 0 ADAERN CC[C@@H](C(=O)[O-])c1cnc2n1CCC2 82894072 630845112 /nfs/dbraw/zinc/84/51/12/630845112.db2.gz ZGVYYQQUTHNKTG-SSDOTTSWSA-N 0 0 194.234 1.408 10 0 ADAERN Cn1cc(-c2cccc(C=O)c2)nn1 82952042 630845424 /nfs/dbraw/zinc/84/54/24/630845424.db2.gz VJDQTJJNAYHIDM-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN Cn1nncc1-c1ccc(F)c(F)c1 82952145 630845437 /nfs/dbraw/zinc/84/54/37/630845437.db2.gz MMJOMFLJCXTLEW-UHFFFAOYSA-N 0 0 195.172 1.760 10 0 ADAERN CC/C=C(\C)C(=O)NCC 114079697 630845486 /nfs/dbraw/zinc/84/54/86/630845486.db2.gz HJIOEZJEDDLJBN-VOTSOKGWSA-N 0 0 141.214 1.479 10 0 ADAERN CCO[C@H]1C[C@@H]1c1nc(CC)no1 349602940 630845532 /nfs/dbraw/zinc/84/55/32/630845532.db2.gz HKNMRXFKLNGCLJ-BQBZGAKWSA-N 0 0 182.223 1.524 10 0 ADAERN Cn1cc(-c2ccccc2C=O)nn1 82951983 630845540 /nfs/dbraw/zinc/84/55/40/630845540.db2.gz BFDGBSNWGBGFLJ-UHFFFAOYSA-N 0 0 187.202 1.295 10 0 ADAERN Cc1cc(C)c([C@H]([NH3+])CC(=O)[O-])s1 82911998 630845739 /nfs/dbraw/zinc/84/57/39/630845739.db2.gz QEOSIHYTWDYIBG-SSDOTTSWSA-N 0 0 199.275 1.839 10 0 ADAERN CCOCCc1nc(CC)no1 349602867 630847408 /nfs/dbraw/zinc/84/74/08/630847408.db2.gz DUJYYGITJZLVDQ-UHFFFAOYSA-N 0 0 170.212 1.211 10 0 ADAERN Cn1nncc1-c1ccc(F)cc1 82951995 630846224 /nfs/dbraw/zinc/84/62/24/630846224.db2.gz RRFZOCSVBJPNRG-UHFFFAOYSA-N 0 0 177.182 1.621 10 0 ADAERN CC(C)(/C=C\Cl)NS(C)(=O)=O 921506455 630846383 /nfs/dbraw/zinc/84/63/83/630846383.db2.gz DTPLVCGKOVFPPB-PLNGDYQASA-N 0 0 197.687 1.067 10 0 ADAERN CC(C)(/C=C/Cl)NS(C)(=O)=O 921506460 630846505 /nfs/dbraw/zinc/84/65/05/630846505.db2.gz DTPLVCGKOVFPPB-SNAWJCMRSA-N 0 0 197.687 1.067 10 0 ADAERN CCC(C)(CC)NC(=O)C1=COCC1 734129565 630848465 /nfs/dbraw/zinc/84/84/65/630848465.db2.gz VWPPHOSDTPBRFE-UHFFFAOYSA-N 0 0 197.278 1.986 10 0 ADAERN Cc1nc([C@@H](C(=O)[O-])C(C)C)cn1C 82909106 630846899 /nfs/dbraw/zinc/84/68/99/630846899.db2.gz OOURVKFEMUYVMH-VIFPVBQESA-N 0 0 196.250 1.553 10 0 ADAERN C[C@@H]1CCCN1C(=O)c1nccn1C 224792222 630847003 /nfs/dbraw/zinc/84/70/03/630847003.db2.gz VGVHQGSNRVTQEK-MRVPVSSYSA-N 0 0 193.250 1.045 10 0 ADAERN CCO[C@H](C)c1nc(N(C)C)no1 349603478 630847306 /nfs/dbraw/zinc/84/73/06/630847306.db2.gz MUYJMUHXUFSXOC-ZCFIWIBFSA-N 0 0 185.227 1.233 10 0 ADAERN Cc1cc(C)c([C@@H]([NH3+])CC(=O)[O-])s1 82911999 630847350 /nfs/dbraw/zinc/84/73/50/630847350.db2.gz QEOSIHYTWDYIBG-ZETCQYMHSA-N 0 0 199.275 1.839 10 0 ADAERN CCCCOC(=O)C1(O)CCC1 166689890 630847391 /nfs/dbraw/zinc/84/73/91/630847391.db2.gz DHTYRDIJIIGPST-UHFFFAOYSA-N 0 0 172.224 1.245 10 0 ADAERN Cc1nc([C@H](C(=O)[O-])C(C)C)cn1C 82909105 630847414 /nfs/dbraw/zinc/84/74/14/630847414.db2.gz OOURVKFEMUYVMH-SECBINFHSA-N 0 0 196.250 1.553 10 0 ADAERN C[C@H](C1CC1)N(C)C(=O)C1=COCC1 734122992 630847971 /nfs/dbraw/zinc/84/79/71/630847971.db2.gz HEJLHCPYCSGQQS-MRVPVSSYSA-N 0 0 195.262 1.548 10 0 ADAERN CCc1nc(C(=O)N(C)OC)c(C)o1 166930574 630848002 /nfs/dbraw/zinc/84/80/02/630848002.db2.gz DZUHISLVRUTORK-UHFFFAOYSA-N 0 0 198.222 1.179 10 0 ADAERN CCN(CC1CC1)C(=O)C1=COCC1 734127837 630848357 /nfs/dbraw/zinc/84/83/57/630848357.db2.gz DRLZISUPTSUSNO-UHFFFAOYSA-N 0 0 195.262 1.549 10 0 ADAERN CC[C@@H](C)CN(C)C(=O)C1=COCC1 734127820 630848455 /nfs/dbraw/zinc/84/84/55/630848455.db2.gz DEVLDABTKJZXPJ-SECBINFHSA-N 0 0 197.278 1.795 10 0 ADAERN CCCN(C(=O)C1=COCC1)C1CC1 734126435 630848519 /nfs/dbraw/zinc/84/85/19/630848519.db2.gz CHDYBGCAQXNXDO-UHFFFAOYSA-N 0 0 195.262 1.692 10 0 ADAERN O=C(Oc1ccccc1)C1=COCC1 734121086 630848614 /nfs/dbraw/zinc/84/86/14/630848614.db2.gz CNKNCXSPDHPHPV-UHFFFAOYSA-N 0 0 190.198 1.896 10 0 ADAERN CN(CC(C)(C)C)C(=O)C1=COCC1 734126599 630848701 /nfs/dbraw/zinc/84/87/01/630848701.db2.gz DLYXSCADNGSWQH-UHFFFAOYSA-N 0 0 197.278 1.795 10 0 ADAERN CC(=O)CCCOC(=O)C1=COCC1 734192917 630848810 /nfs/dbraw/zinc/84/88/10/630848810.db2.gz DCXZVDDZNHIABF-UHFFFAOYSA-N 0 0 198.218 1.203 10 0 ADAERN CON(C)C(=O)/C=C/C(C)(C)C 225958461 630848928 /nfs/dbraw/zinc/84/89/28/630848928.db2.gz CABARNCFLOHOQH-VOTSOKGWSA-N 0 0 171.240 1.609 10 0 ADAERN C/C=C/C(=O)NC(C)(C)C(C)(C)O 225923954 630849198 /nfs/dbraw/zinc/84/91/98/630849198.db2.gz TURNTIJUDNDDMQ-VOTSOKGWSA-N 0 0 185.267 1.228 10 0 ADAERN CC(C)c1ocnc1CC#N 167400179 630849352 /nfs/dbraw/zinc/84/93/52/630849352.db2.gz XTVMKOLJOHTHHL-UHFFFAOYSA-N 0 0 150.181 1.864 10 0 ADAERN CC1(C)CCCN1C(=O)C1=COCC1 734125351 630849717 /nfs/dbraw/zinc/84/97/17/630849717.db2.gz CDOBYWXYPRUHLN-UHFFFAOYSA-N 0 0 195.262 1.692 10 0 ADAERN Cc1nonc1CN(C)CC1CC1 734146164 630849974 /nfs/dbraw/zinc/84/99/74/630849974.db2.gz IPRIUHRFFHHYDM-UHFFFAOYSA-N 0 0 181.239 1.220 10 0 ADAERN C[C@@H](C1CC1)N(C)C(=O)C1=COCC1 734123000 630850050 /nfs/dbraw/zinc/85/00/50/630850050.db2.gz HEJLHCPYCSGQQS-QMMMGPOBSA-N 0 0 195.262 1.548 10 0 ADAERN CC1(C)C[C@H]1C(=O)N1CCCCO1 226343275 630850077 /nfs/dbraw/zinc/85/00/77/630850077.db2.gz AKMGOCNBBRXDJC-QMMMGPOBSA-N 0 0 183.251 1.587 10 0 ADAERN CC[C@H](C)CN(C)C(=O)C1=COCC1 734127821 630850111 /nfs/dbraw/zinc/85/01/11/630850111.db2.gz DEVLDABTKJZXPJ-VIFPVBQESA-N 0 0 197.278 1.795 10 0 ADAERN CC(C)C(=O)COC(=O)C1=COCC1 734190522 630850132 /nfs/dbraw/zinc/85/01/32/630850132.db2.gz DYYZRIBVYFPCLZ-UHFFFAOYSA-N 0 0 198.218 1.059 10 0 ADAERN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C 226292087 630850335 /nfs/dbraw/zinc/85/03/35/630850335.db2.gz ABSSAPRCVNNIMH-SSDOTTSWSA-N 0 0 192.218 1.976 10 0 ADAERN CCOC(=O)[C@@H]([NH3+])[C@H]1C=CCCC1 167747814 630850496 /nfs/dbraw/zinc/85/04/96/630850496.db2.gz DAOYUQCSEDUUTL-IUCAKERBSA-N 0 0 183.251 1.233 10 0 ADAERN COCCCOC(=O)[C@H]1CC12CC2 817233865 630850518 /nfs/dbraw/zinc/85/05/18/630850518.db2.gz XXIMWMAHRUQVSN-MRVPVSSYSA-N 0 0 184.235 1.366 10 0 ADAERN CCCCC(=O)OCCc1cn[nH]n1 734569398 630850578 /nfs/dbraw/zinc/85/05/78/630850578.db2.gz SZGVKZMHSSWAMS-UHFFFAOYSA-N 0 0 197.238 1.081 10 0 ADAERN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C 226292095 630850658 /nfs/dbraw/zinc/85/06/58/630850658.db2.gz ABSSAPRCVNNIMH-ZETCQYMHSA-N 0 0 192.218 1.976 10 0 ADAERN CCOC(=O)[C@H]([NH3+])[C@@H]1C=CCCC1 167747929 630850668 /nfs/dbraw/zinc/85/06/68/630850668.db2.gz DAOYUQCSEDUUTL-RKDXNWHRSA-N 0 0 183.251 1.233 10 0 ADAERN CCOC(=O)[C@H]([NH3+])[C@H]1C=CCCC1 167747697 630850917 /nfs/dbraw/zinc/85/09/17/630850917.db2.gz DAOYUQCSEDUUTL-DTWKUNHWSA-N 0 0 183.251 1.233 10 0 ADAERN CC(C)OC(=O)/C=C/c1cnccn1 735935943 630850925 /nfs/dbraw/zinc/85/09/25/630850925.db2.gz HAXFEABDJLBVMZ-ONEGZZNKSA-N 0 0 192.218 1.441 10 0 ADAERN C[C@@H](O)CCCOC(=O)[C@@H]1CC12CC2 817233725 630851019 /nfs/dbraw/zinc/85/10/19/630851019.db2.gz VNNRWEBMUMYHTR-BDAKNGLRSA-N 0 0 198.262 1.491 10 0 ADAERN CONC(=O)C[C@H](C)c1cccnc1 734422947 630851239 /nfs/dbraw/zinc/85/12/39/630851239.db2.gz HUGMOGLJGYSZJI-QMMMGPOBSA-N 0 0 194.234 1.253 10 0 ADAERN O=C(OCCC1(O)CC1)[C@@H]1CC12CC2 817233024 630851304 /nfs/dbraw/zinc/85/13/04/630851304.db2.gz OBNDFMNMYJZXON-QMMMGPOBSA-N 0 0 196.246 1.245 10 0 ADAERN O=C(OCCC1(O)CC1)[C@H]1CC12CC2 817233023 630851345 /nfs/dbraw/zinc/85/13/45/630851345.db2.gz OBNDFMNMYJZXON-MRVPVSSYSA-N 0 0 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931429117 631124222 /nfs/dbraw/zinc/12/42/22/631124222.db2.gz RRFIWCHPOWWJSX-JGVFFNPUSA-N 0 0 193.237 1.751 10 0 ADAERN COCCCCN1CCn2ccnc21 931519580 631124236 /nfs/dbraw/zinc/12/42/36/631124236.db2.gz DWZPQUMNTGPLJZ-UHFFFAOYSA-N 0 0 195.266 1.130 10 0 ADAERN CC(C)[C@@H](O)CN1CC[C@H]1C(F)F 931423296 631124322 /nfs/dbraw/zinc/12/43/22/631124322.db2.gz CUAQMCVPKZBKKJ-YUMQZZPRSA-N 0 0 193.237 1.343 10 0 ADAERN COCC[C@H](C)N1CC[C@H]1C(F)F 931423721 631124378 /nfs/dbraw/zinc/12/43/78/631124378.db2.gz ILLYWFUMLVNSHW-YUMQZZPRSA-N 0 0 193.237 1.751 10 0 ADAERN FCCCN1CC[C@H]1C(F)F 931426646 631124385 /nfs/dbraw/zinc/12/43/85/631124385.db2.gz RTIJUQJVYQQFTD-LURJTMIESA-N 0 0 167.174 1.685 10 0 ADAERN CCOCCN1CC[C@@H]1C(F)F 931422104 631124386 /nfs/dbraw/zinc/12/43/86/631124386.db2.gz OOGBTTFODRHYHM-SSDOTTSWSA-N 0 0 179.210 1.362 10 0 ADAERN FC(F)[C@H]1CCN1CCOC1CC1 931428714 631124388 /nfs/dbraw/zinc/12/43/88/631124388.db2.gz VHGPKABUADFDDR-MRVPVSSYSA-N 0 0 191.221 1.505 10 0 ADAERN FC(F)[C@H]1CCN1C[C@@H]1CCOC1 931422377 631124407 /nfs/dbraw/zinc/12/44/07/631124407.db2.gz QJHIYIMCINOPKB-JGVFFNPUSA-N 0 0 191.221 1.362 10 0 ADAERN C[C@H]1CCN(C(=O)CC2(C)COC2)C1 931423380 631124422 /nfs/dbraw/zinc/12/44/22/631124422.db2.gz AJJGAFWHKRBFQO-VIFPVBQESA-N 0 0 197.278 1.281 10 0 ADAERN CC[C@H](CN1CC[C@H]1C(F)F)OC 931429118 631124466 /nfs/dbraw/zinc/12/44/66/631124466.db2.gz RRFIWCHPOWWJSX-SFYZADRCSA-N 0 0 193.237 1.751 10 0 ADAERN CC(C)[C@H](O)CN1CC[C@H]1C(F)F 931423294 631124559 /nfs/dbraw/zinc/12/45/59/631124559.db2.gz CUAQMCVPKZBKKJ-JGVFFNPUSA-N 0 0 193.237 1.343 10 0 ADAERN OCCCCN1CC[C@H]1C(F)F 931421293 631124635 /nfs/dbraw/zinc/12/46/35/631124635.db2.gz MZUMPTDWCQMRLQ-ZETCQYMHSA-N 0 0 179.210 1.098 10 0 ADAERN CC[C@@H](CO)N1CC[C@@H]1C(F)F 931423370 631124709 /nfs/dbraw/zinc/12/47/09/631124709.db2.gz AHOODEVMZASVOJ-NKWVEPMBSA-N 0 0 179.210 1.097 10 0 ADAERN CC(C)[C@H](O)CN1CC[C@@H]1C(F)F 931423293 631124714 /nfs/dbraw/zinc/12/47/14/631124714.db2.gz CUAQMCVPKZBKKJ-HTQZYQBOSA-N 0 0 193.237 1.343 10 0 ADAERN COC[C@@H](C)N1CC[C@@H]1C(F)F 931421595 631124790 /nfs/dbraw/zinc/12/47/90/631124790.db2.gz PDIWWOJQPZYNLH-RNFRBKRXSA-N 0 0 179.210 1.361 10 0 ADAERN CCCCCN1CCn2ccnc21 931519203 631124818 /nfs/dbraw/zinc/12/48/18/631124818.db2.gz CWKJIDBIYCDUIS-UHFFFAOYSA-N 0 0 179.267 1.893 10 0 ADAERN CC[C@@H](CO)N1CC[C@H]1C(F)F 931423369 631124828 /nfs/dbraw/zinc/12/48/28/631124828.db2.gz AHOODEVMZASVOJ-BQBZGAKWSA-N 0 0 179.210 1.097 10 0 ADAERN COCC[C@H](C)N1CC[C@@H]1C(F)F 931423718 631124889 /nfs/dbraw/zinc/12/48/89/631124889.db2.gz ILLYWFUMLVNSHW-JGVFFNPUSA-N 0 0 193.237 1.751 10 0 ADAERN COCC[C@@H](C)N1CC[C@H]1C(F)F 931423720 631124913 /nfs/dbraw/zinc/12/49/13/631124913.db2.gz ILLYWFUMLVNSHW-SFYZADRCSA-N 0 0 193.237 1.751 10 0 ADAERN C[C@@H]1CCN(C(=O)CC2(C)COC2)C1 931423379 631124998 /nfs/dbraw/zinc/12/49/98/631124998.db2.gz AJJGAFWHKRBFQO-SECBINFHSA-N 0 0 197.278 1.281 10 0 ADAERN CCCN1CC[C@H]1C(F)F 931422352 631125015 /nfs/dbraw/zinc/12/50/15/631125015.db2.gz QBJPPKWVPXZSNB-LURJTMIESA-N 0 0 149.184 1.736 10 0 ADAERN CC[C@H](CN1CC[C@@H]1C(F)F)OC 931429116 631125027 /nfs/dbraw/zinc/12/50/27/631125027.db2.gz RRFIWCHPOWWJSX-HTQZYQBOSA-N 0 0 193.237 1.751 10 0 ADAERN COC[C@@H](C)N1CC[C@H]1C(F)F 931421596 631125039 /nfs/dbraw/zinc/12/50/39/631125039.db2.gz PDIWWOJQPZYNLH-RQJHMYQMSA-N 0 0 179.210 1.361 10 0 ADAERN FC(F)[C@@H]1CCN1C[C@@H]1CCOC1 931422379 631125130 /nfs/dbraw/zinc/12/51/30/631125130.db2.gz QJHIYIMCINOPKB-YUMQZZPRSA-N 0 0 191.221 1.362 10 0 ADAERN CCON(CC)C/C=C(/C)COC 931569988 631125337 /nfs/dbraw/zinc/12/53/37/631125337.db2.gz CKGYYAXXRQXOBK-YFHOEESVSA-N 0 0 187.283 1.853 10 0 ADAERN CC[C@@H](CO)N1OC2CCC1CC2 931571768 631125415 /nfs/dbraw/zinc/12/54/15/631125415.db2.gz NFXMWXXSPZWRDY-IDKOKCKLSA-N 0 0 185.267 1.316 10 0 ADAERN CCON(CC)Cc1ccc(N)nc1 931571051 631125439 /nfs/dbraw/zinc/12/54/39/631125439.db2.gz HEAKXSUOOPBBPW-UHFFFAOYSA-N 0 0 195.266 1.437 10 0 ADAERN CCON(CC)CCc1nnc(C)o1 931570156 631125637 /nfs/dbraw/zinc/12/56/37/631125637.db2.gz FFYCVMOCRLSQFE-UHFFFAOYSA-N 0 0 199.254 1.194 10 0 ADAERN CCON(CC)[C@H](CC)CO 931572486 631125723 /nfs/dbraw/zinc/12/57/23/631125723.db2.gz UNMPAKDZOAYITP-MRVPVSSYSA-N 0 0 161.245 1.031 10 0 ADAERN c1nnc(CN2CCCCCO2)s1 931533896 631125986 /nfs/dbraw/zinc/12/59/86/631125986.db2.gz RXIXRCXAWCZTCP-UHFFFAOYSA-N 0 0 199.279 1.456 10 0 ADAERN CCOCCCN1CCn2ccnc21 931524977 631126021 /nfs/dbraw/zinc/12/60/21/631126021.db2.gz CPDWFEOSNFUKQD-UHFFFAOYSA-N 0 0 195.266 1.130 10 0 ADAERN CC[C@H](CO)N1OC2CCC1CC2 931571769 631126131 /nfs/dbraw/zinc/12/61/31/631126131.db2.gz NFXMWXXSPZWRDY-XNWIYYODSA-N 0 0 185.267 1.316 10 0 ADAERN CCON(CC)Cc1cnc(C)o1 931572693 631126249 /nfs/dbraw/zinc/12/62/49/631126249.db2.gz WOMHEXZFTZLYOH-UHFFFAOYSA-N 0 0 184.239 1.756 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N(C)CC(C)(C)C 931609499 631126408 /nfs/dbraw/zinc/12/64/08/631126408.db2.gz FPUDTNDEIOGIGO-RKDXNWHRSA-N 0 0 199.294 1.526 10 0 ADAERN C(CN1OC2CCC1CC2)OC1CC1 931570584 631126441 /nfs/dbraw/zinc/12/64/41/631126441.db2.gz AIMKCWCECQAYGH-UHFFFAOYSA-N 0 0 197.278 1.724 10 0 ADAERN CCON(CC)C/C=C(\C)COC 931569987 631126549 /nfs/dbraw/zinc/12/65/49/631126549.db2.gz CKGYYAXXRQXOBK-JXMROGBWSA-N 0 0 187.283 1.853 10 0 ADAERN CCON(CC)Cc1nn(C)cc1C 931571812 631126553 /nfs/dbraw/zinc/12/65/53/631126553.db2.gz VUVDJDJFPJRPPO-UHFFFAOYSA-N 0 0 197.282 1.502 10 0 ADAERN CCON(CC)Cc1[nH]c(C)nc1C 931572395 631126684 /nfs/dbraw/zinc/12/66/84/631126684.db2.gz SJGWEXMTJRYWHP-UHFFFAOYSA-N 0 0 197.282 1.800 10 0 ADAERN CCON(CC)[C@@H](CC)CO 931572487 631126715 /nfs/dbraw/zinc/12/67/15/631126715.db2.gz UNMPAKDZOAYITP-QMMMGPOBSA-N 0 0 161.245 1.031 10 0 ADAERN C1CCON(CCOC2CC2)CC1 931534299 631126717 /nfs/dbraw/zinc/12/67/17/631126717.db2.gz XLTVLSFAGMWKKX-UHFFFAOYSA-N 0 0 185.267 1.583 10 0 ADAERN CC[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1OC 931767219 631127169 /nfs/dbraw/zinc/12/71/69/631127169.db2.gz JUHNGNJKTDZKKE-IVZWLZJFSA-N 0 0 197.278 1.422 10 0 ADAERN Cc1cn(C)nc1CN(C)CCCF 931763682 631127407 /nfs/dbraw/zinc/12/74/07/631127407.db2.gz JWPYXMCGKYLEJS-UHFFFAOYSA-N 0 0 199.273 1.520 10 0 ADAERN C[C@H]1C(=O)CCCN1C/C=C\Cl 932854339 631138051 /nfs/dbraw/zinc/13/80/51/631138051.db2.gz HAVAZRNTBQSXBC-NHLYECAPSA-N 0 0 187.670 1.792 10 0 ADAERN CC[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1OC 931767220 631127818 /nfs/dbraw/zinc/12/78/18/631127818.db2.gz JUHNGNJKTDZKKE-OPRDCNLKSA-N 0 0 197.278 1.422 10 0 ADAERN CCCN(C(=O)[C@@H]1C[C@H]1OC)C1CC1 931954490 631128589 /nfs/dbraw/zinc/12/85/89/631128589.db2.gz SMCPGFJEHHFRER-NXEZZACHSA-N 0 0 197.278 1.422 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1C 932058009 631129094 /nfs/dbraw/zinc/12/90/94/631129094.db2.gz OKJKXTJOODPEHJ-SGIHWFKDSA-N 0 0 197.278 1.326 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)NC(C)(C)C(C)C 931811718 631129118 /nfs/dbraw/zinc/12/91/18/631129118.db2.gz JLKURTAZUREKPM-RKDXNWHRSA-N 0 0 199.294 1.572 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H]1C 932058010 631129222 /nfs/dbraw/zinc/12/92/22/631129222.db2.gz OKJKXTJOODPEHJ-ZYUZMQFOSA-N 0 0 197.278 1.326 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N1CCCC1(C)C 931846704 631129370 /nfs/dbraw/zinc/12/93/70/631129370.db2.gz WIAOHUMMVCBCFA-RKDXNWHRSA-N 0 0 197.278 1.422 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@H]1C 932058006 631129410 /nfs/dbraw/zinc/12/94/10/631129410.db2.gz OKJKXTJOODPEHJ-DOLQZWNJSA-N 0 0 197.278 1.326 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N(C(C)C)C1CC1 931833825 631129901 /nfs/dbraw/zinc/12/99/01/631129901.db2.gz NSFJXMNCEUIZPY-NXEZZACHSA-N 0 0 197.278 1.421 10 0 ADAERN CO[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@@H]1C 932058008 631130025 /nfs/dbraw/zinc/13/00/25/631130025.db2.gz OKJKXTJOODPEHJ-QCLAVDOMSA-N 0 0 197.278 1.326 10 0 ADAERN c1cc2n(c1)CCN([C@@H]1CCOC1)C2 932524257 631134628 /nfs/dbraw/zinc/13/46/28/631134628.db2.gz JQPCTUUDLUYEPK-LLVKDONJSA-N 0 0 192.262 1.093 10 0 ADAERN C[C@H]1CCC(=O)CN1Cc1ccon1 932870332 631134749 /nfs/dbraw/zinc/13/47/49/631134749.db2.gz IVDMXPKJVJQCLK-QMMMGPOBSA-N 0 0 194.234 1.228 10 0 ADAERN CCN(CC1CC1)C(=O)[C@@H]1C[C@H]1OC 932585795 631134867 /nfs/dbraw/zinc/13/48/67/631134867.db2.gz DWHLLFQXLJMULX-NXEZZACHSA-N 0 0 197.278 1.280 10 0 ADAERN C[C@@H]1C(=O)CCCN1CCOC1CC1 932844783 631135229 /nfs/dbraw/zinc/13/52/29/631135229.db2.gz KZTQDDGGHRNOBC-SECBINFHSA-N 0 0 197.278 1.219 10 0 ADAERN CC[C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1OC 932496713 631135832 /nfs/dbraw/zinc/13/58/32/631135832.db2.gz OIBUDOAHYMQKQG-IVZWLZJFSA-N 0 0 199.294 1.526 10 0 ADAERN CC[C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1OC 932496714 631136109 /nfs/dbraw/zinc/13/61/09/631136109.db2.gz OIBUDOAHYMQKQG-OPRDCNLKSA-N 0 0 199.294 1.526 10 0 ADAERN c1cc2n(c1)CCN([C@H]1CCOC1)C2 932524258 631136278 /nfs/dbraw/zinc/13/62/78/631136278.db2.gz JQPCTUUDLUYEPK-NSHDSACASA-N 0 0 192.262 1.093 10 0 ADAERN CC(=O)CCN1CCn2cccc2C1 932525585 631136306 /nfs/dbraw/zinc/13/63/06/631136306.db2.gz FUVCKUPYAVVSHV-UHFFFAOYSA-N 0 0 192.262 1.283 10 0 ADAERN C[C@H]1C(=O)CCCN1CCOC1CC1 932844786 631136484 /nfs/dbraw/zinc/13/64/84/631136484.db2.gz KZTQDDGGHRNOBC-VIFPVBQESA-N 0 0 197.278 1.219 10 0 ADAERN C[C@@H]1CCC(=O)CN1CC1(C)COC1 932871953 631136787 /nfs/dbraw/zinc/13/67/87/631136787.db2.gz VCGCVAIJTJDXPW-SECBINFHSA-N 0 0 197.278 1.076 10 0 ADAERN C[C@@H]1C(=O)CCCN1CCCCF 932848385 631136849 /nfs/dbraw/zinc/13/68/49/631136849.db2.gz VJHMLDPXVIQKKF-SECBINFHSA-N 0 0 187.258 1.790 10 0 ADAERN C[C@H](O)CCCN1CCCC(=O)[C@@H]1C 932847566 631136860 /nfs/dbraw/zinc/13/68/60/631136860.db2.gz CPJBETCOLSTWGO-UWVGGRQHSA-N 0 0 199.294 1.201 10 0 ADAERN COCCCN1CC(=O)CC[C@H]1C 932870645 631136887 /nfs/dbraw/zinc/13/68/87/631136887.db2.gz ZGLRFODOLXGMLC-SECBINFHSA-N 0 0 185.267 1.076 10 0 ADAERN CCC[C@@H](O)CN1CC(=O)CC[C@H]1C 932876609 631136910 /nfs/dbraw/zinc/13/69/10/631136910.db2.gz NAVVUEGHMIMJKC-NXEZZACHSA-N 0 0 199.294 1.201 10 0 ADAERN C[C@@H]1C(=O)CCCN1CC1CC1 932854595 631136943 /nfs/dbraw/zinc/13/69/43/631136943.db2.gz IMIAWXICVMVKAS-MRVPVSSYSA-N 0 0 167.252 1.450 10 0 ADAERN 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/nfs/dbraw/zinc/15/96/52/631159652.db2.gz PWEJBZJWZQQEFY-UHFFFAOYSA-N 0 0 194.177 1.221 10 0 ADAERN CON(C)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 252641929 631165608 /nfs/dbraw/zinc/16/56/08/631165608.db2.gz MKEYFKDRHGCBEF-BRPSZJMVSA-N 0 0 183.251 1.442 10 0 ADAERN C[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 306267257 631169474 /nfs/dbraw/zinc/16/94/74/631169474.db2.gz QGVSATVZHOPYNL-XNPJLODASA-N 0 0 179.263 1.821 10 0 ADAERN O=C(CCc1cccnc1)OCCF 90558826 631160331 /nfs/dbraw/zinc/16/03/31/631160331.db2.gz TZDUGCBYWQNLHT-UHFFFAOYSA-N 0 0 197.209 1.527 10 0 ADAERN C[C@H]1COC[C@@H](C)N1CCF 306263734 631169051 /nfs/dbraw/zinc/16/90/51/631169051.db2.gz NMOAFAPHOJGQRQ-OCAPTIKFSA-N 0 0 161.220 1.065 10 0 ADAERN O=C(Nc1ccon1)[C@H]1C[C@@H]2C[C@@H]2C1 250189440 631161009 /nfs/dbraw/zinc/16/10/09/631161009.db2.gz UURKAEVICIJGAG-RNLVFQAGSA-N 0 0 192.218 1.659 10 0 ADAERN CCCCOC(=O)C[C@H]1CCCO1 94845479 631161099 /nfs/dbraw/zinc/16/10/99/631161099.db2.gz HPKVTMJIBLWATC-SECBINFHSA-N 0 0 186.251 1.899 10 0 ADAERN CCCCOC(=O)[C@@]1(C)CCCO1 95016715 631161113 /nfs/dbraw/zinc/16/11/13/631161113.db2.gz JXYXSSIJEBERAD-SNVBAGLBSA-N 0 0 186.251 1.899 10 0 ADAERN CCCCOC(=O)[C@]1(C)CCCO1 95016714 631161302 /nfs/dbraw/zinc/16/13/02/631161302.db2.gz JXYXSSIJEBERAD-JTQLQIEISA-N 0 0 186.251 1.899 10 0 ADAERN CCCCOC(=O)C[C@@H]1CCCO1 94845478 631161322 /nfs/dbraw/zinc/16/13/22/631161322.db2.gz HPKVTMJIBLWATC-VIFPVBQESA-N 0 0 186.251 1.899 10 0 ADAERN CON(C)C(=O)[C@H]1C[C@@H]2C[C@@H]2C1 250345004 631162089 /nfs/dbraw/zinc/16/20/89/631162089.db2.gz OULKNJFHHWHJPG-RNLVFQAGSA-N 0 0 169.224 1.052 10 0 ADAERN CCOC(=O)/C=C\C1CC1 95627006 631162182 /nfs/dbraw/zinc/16/21/82/631162182.db2.gz HXBCPBSHJYHXQV-WAYWQWQTSA-N 0 0 140.182 1.516 10 0 ADAERN COC(=O)/C=C\C(C)(C)C 95804000 631162473 /nfs/dbraw/zinc/16/24/73/631162473.db2.gz QXLWRINPDMKVHW-WAYWQWQTSA-N 0 0 142.198 1.762 10 0 ADAERN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CCC[C@H]1C 251671432 631164229 /nfs/dbraw/zinc/16/42/29/631164229.db2.gz CMYHAIVSFRUHSO-IVZWLZJFSA-N 0 0 199.294 1.970 10 0 ADAERN C[C@@H]1OCC[C@@H]1NC(=O)C(C)(C)F 306175933 631167934 /nfs/dbraw/zinc/16/79/34/631167934.db2.gz VQZINUUOJWRHST-BQBZGAKWSA-N 0 0 189.230 1.028 10 0 ADAERN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H]1C 251671429 631164916 /nfs/dbraw/zinc/16/49/16/631164916.db2.gz CMYHAIVSFRUHSO-AEJSXWLSSA-N 0 0 199.294 1.970 10 0 ADAERN C/C=C/C=C\C(=O)N[C@H](C)[C@H](C)CO 252726021 631166269 /nfs/dbraw/zinc/16/62/69/631166269.db2.gz LIADMMCPHIWVCW-BYEZANHBSA-N 0 0 197.278 1.252 10 0 ADAERN O=C([C@H]1C[C@@H]2C[C@@H]2C1)N1CCCO1 252766063 631166500 /nfs/dbraw/zinc/16/65/00/631166500.db2.gz QAVMDWDHFTYERX-AYMMMOKOSA-N 0 0 181.235 1.196 10 0 ADAERN C/C=C/C(=O)N1CC[C@H]1C(C)C 306283926 631170359 /nfs/dbraw/zinc/17/03/59/631170359.db2.gz BDOOZOHBDVXGQX-MOVJSRMASA-N 0 0 167.252 1.819 10 0 ADAERN O=C(/C=C/C1CC1)NC[C@H]1CCCO1 253460113 631166872 /nfs/dbraw/zinc/16/68/72/631166872.db2.gz HEYWIUFVRCRAQR-BRAIEQGRSA-N 0 0 195.262 1.248 10 0 ADAERN CCOCCCNC(=O)/C=C/C1CC1 253466512 631166879 /nfs/dbraw/zinc/16/68/79/631166879.db2.gz WRCFCXBWFBWQMQ-VOTSOKGWSA-N 0 0 197.278 1.495 10 0 ADAERN C[C@H](O)CNC(=O)/C=C/C(C)(C)C 253464987 631166913 /nfs/dbraw/zinc/16/69/13/631166913.db2.gz SPXCOPBZKOQVRP-GJIOHYHPSA-N 0 0 185.267 1.086 10 0 ADAERN CCCNC(=O)/C=C/C1CC1 253457799 631166918 /nfs/dbraw/zinc/16/69/18/631166918.db2.gz CLVFQTDBWPOQJM-AATRIKPKSA-N 0 0 153.225 1.479 10 0 ADAERN O=C(/C=C/C1CC1)NC1=NCCS1 253467384 631166996 /nfs/dbraw/zinc/16/69/96/631166996.db2.gz ZHQJUAXZRWZHHC-ONEGZZNKSA-N 0 0 196.275 1.172 10 0 ADAERN O=C(/C=C/C1CC1)N1CCCC1 253463183 631167044 /nfs/dbraw/zinc/16/70/44/631167044.db2.gz MZZWADFKAHAWQO-AATRIKPKSA-N 0 0 165.236 1.575 10 0 ADAERN O=C(/C=C/C1CC1)N1CCCCC1 253459444 631167094 /nfs/dbraw/zinc/16/70/94/631167094.db2.gz GJCYIYAOHPVELR-VOTSOKGWSA-N 0 0 179.263 1.965 10 0 ADAERN C/C(=C\C(=O)N1CCOCC1)C1CC1 253458584 631167180 /nfs/dbraw/zinc/16/71/80/631167180.db2.gz DWARNAFVQFULHR-CMDGGOBGSA-N 0 0 195.262 1.202 10 0 ADAERN C/C=C\CSc1nncn1C 98054072 631167201 /nfs/dbraw/zinc/16/72/01/631167201.db2.gz BHMCSPIXNCLFPL-ARJAWSKDSA-N 0 0 169.253 1.483 10 0 ADAERN O=C(/C=C/C1CC1)Nc1ccccn1 253455922 631167231 /nfs/dbraw/zinc/16/72/31/631167231.db2.gz ARHSYGJBLPLWQU-VOTSOKGWSA-N 0 0 188.230 1.986 10 0 ADAERN O=C(/C=C/C1CC1)NC[C@@H]1CCCO1 253460116 631167269 /nfs/dbraw/zinc/16/72/69/631167269.db2.gz HEYWIUFVRCRAQR-PORFMDCZSA-N 0 0 195.262 1.248 10 0 ADAERN O=C(/C=C/C1CC1)Nc1cnccn1 253456568 631167285 /nfs/dbraw/zinc/16/72/85/631167285.db2.gz BHONWZBEGJESGJ-ONEGZZNKSA-N 0 0 189.218 1.381 10 0 ADAERN C[C@@H](O)CNC(=O)/C=C/C(C)(C)C 253464988 631167306 /nfs/dbraw/zinc/16/73/06/631167306.db2.gz SPXCOPBZKOQVRP-HQZHTGGTSA-N 0 0 185.267 1.086 10 0 ADAERN O=C(/C=C/C1CC1)NCCCCCO 253463604 631167318 /nfs/dbraw/zinc/16/73/18/631167318.db2.gz PKTLGNVZYDEUBR-VOTSOKGWSA-N 0 0 197.278 1.231 10 0 ADAERN CCN(CCO)C(=O)/C=C/C(C)(C)C 253462834 631167334 /nfs/dbraw/zinc/16/73/34/631167334.db2.gz LHMSUDWADLYZRD-VOTSOKGWSA-N 0 0 199.294 1.430 10 0 ADAERN C[C@H]1CN(CCF)C[C@@H](C2CC2)O1 306157693 631167522 /nfs/dbraw/zinc/16/75/22/631167522.db2.gz DSMOKHXPEOKSOB-WPRPVWTQSA-N 0 0 187.258 1.455 10 0 ADAERN CC1CN(C(=O)C=C2CCCC2)C1 306171595 631167557 /nfs/dbraw/zinc/16/75/57/631167557.db2.gz KTEIXZJTUCHDSH-UHFFFAOYSA-N 0 0 179.263 1.965 10 0 ADAERN C[C@H]1OCC[C@H]1NC(=O)C(C)(C)F 306175938 631167607 /nfs/dbraw/zinc/16/76/07/631167607.db2.gz VQZINUUOJWRHST-RNFRBKRXSA-N 0 0 189.230 1.028 10 0 ADAERN C[C@@H]1CN(CCF)C[C@@H](C2CC2)O1 306157689 631167629 /nfs/dbraw/zinc/16/76/29/631167629.db2.gz DSMOKHXPEOKSOB-SCZZXKLOSA-N 0 0 187.258 1.455 10 0 ADAERN CC(=O)OCc1sc(C)nc1C 306172633 631167705 /nfs/dbraw/zinc/16/77/05/631167705.db2.gz AFMJNQGALWPIRJ-UHFFFAOYSA-N 0 0 185.248 1.823 10 0 ADAERN C[C@@H]1OCC[C@H]1NC(=O)C(C)(C)F 306175935 631167716 /nfs/dbraw/zinc/16/77/16/631167716.db2.gz VQZINUUOJWRHST-NKWVEPMBSA-N 0 0 189.230 1.028 10 0 ADAERN C[C@H]1OCC[C@@H]1NC(=O)C(C)(C)F 306175940 631167748 /nfs/dbraw/zinc/16/77/48/631167748.db2.gz VQZINUUOJWRHST-RQJHMYQMSA-N 0 0 189.230 1.028 10 0 ADAERN NC(=O)c1coc2cc(O)ccc12 306172992 631167798 /nfs/dbraw/zinc/16/77/98/631167798.db2.gz SYBAWZVQAPUAOD-UHFFFAOYSA-N 0 0 177.159 1.237 10 0 ADAERN O=C(C=C1CCC1)N1CC(F)C1 306171265 631167805 /nfs/dbraw/zinc/16/78/05/631167805.db2.gz AUFXZKXERHGXLK-UHFFFAOYSA-N 0 0 169.199 1.277 10 0 ADAERN CONC(=O)N[C@H](C)C(C)(C)C 306172438 631167828 /nfs/dbraw/zinc/16/78/28/631167828.db2.gz BBQDGURZCGFJKW-ZCFIWIBFSA-N 0 0 174.244 1.282 10 0 ADAERN O=C(N1CCC1)C(F)(F)C(F)F 306169537 631167898 /nfs/dbraw/zinc/16/78/98/631167898.db2.gz AJSOHIZLJMBHOC-UHFFFAOYSA-N 0 0 185.120 1.119 10 0 ADAERN C[C@H]1CN(CCF)C[C@H](C2CC2)O1 306157691 631167919 /nfs/dbraw/zinc/16/79/19/631167919.db2.gz DSMOKHXPEOKSOB-WCBMZHEXSA-N 0 0 187.258 1.455 10 0 ADAERN CC(=O)[C@H](C)Sc1cccc[n+]1[O-] 306210072 631168351 /nfs/dbraw/zinc/16/83/51/631168351.db2.gz GBPIJHFLDAIVIP-QMMMGPOBSA-N 0 0 197.259 1.390 10 0 ADAERN C[C@H]1COC[C@H](C)N1CCF 306263735 631168464 /nfs/dbraw/zinc/16/84/64/631168464.db2.gz NMOAFAPHOJGQRQ-YUMQZZPRSA-N 0 0 161.220 1.065 10 0 ADAERN S=c1ncccn1CN1CCCC1 306191294 631168471 /nfs/dbraw/zinc/16/84/71/631168471.db2.gz GCQNEOJKBSMGIP-UHFFFAOYSA-N 0 0 195.291 1.666 10 0 ADAERN CC[C@H]1CCN1Cc1nonc1C 306225615 631168492 /nfs/dbraw/zinc/16/84/92/631168492.db2.gz FSXCOQQLXYDLKX-QMMMGPOBSA-N 0 0 181.239 1.362 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CC1(C)C 306221567 631168682 /nfs/dbraw/zinc/16/86/82/631168682.db2.gz PPHPGFRDOJBKEG-VGMNWLOBSA-N 0 0 181.279 1.805 10 0 ADAERN Cc1nsc(C(=O)N(C)C2CC2)n1 306229439 631168707 /nfs/dbraw/zinc/16/87/07/631168707.db2.gz KEDGGHASDVCJQV-UHFFFAOYSA-N 0 0 197.263 1.081 10 0 ADAERN C[C@@H](CF)NC(=O)N1CCCC1 306229465 631168837 /nfs/dbraw/zinc/16/88/37/631168837.db2.gz GNAQKDFKXXOBQK-ZETCQYMHSA-N 0 0 174.219 1.150 10 0 ADAERN C[C@@H]1COC[C@@H](C)N1CCF 306263733 631168970 /nfs/dbraw/zinc/16/89/70/631168970.db2.gz NMOAFAPHOJGQRQ-HTQZYQBOSA-N 0 0 161.220 1.065 10 0 ADAERN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CC1(C)C 306221564 631168995 /nfs/dbraw/zinc/16/89/95/631168995.db2.gz PPHPGFRDOJBKEG-HLTSFMKQSA-N 0 0 181.279 1.805 10 0 ADAERN CN(C)C(=O)C[C@@H]1CCC(F)(F)C1 306265292 631169282 /nfs/dbraw/zinc/16/92/82/631169282.db2.gz DYOPGMVUFSRPQS-ZETCQYMHSA-N 0 0 191.221 1.900 10 0 ADAERN C[C@H]1CCOCCN1C(=O)C1CC1 306264652 631169505 /nfs/dbraw/zinc/16/95/05/631169505.db2.gz DEGMPMQFRZRMSN-QMMMGPOBSA-N 0 0 183.251 1.034 10 0 ADAERN C/C=C/C(=O)N1CC[C@@H]1C(C)C 306283927 631169516 /nfs/dbraw/zinc/16/95/16/631169516.db2.gz BDOOZOHBDVXGQX-XNPJLODASA-N 0 0 167.252 1.819 10 0 ADAERN CN(C)C(=O)C[C@H]1CCC(F)(F)C1 306265291 631169552 /nfs/dbraw/zinc/16/95/52/631169552.db2.gz DYOPGMVUFSRPQS-SSDOTTSWSA-N 0 0 191.221 1.900 10 0 ADAERN CCC(=O)O[C@@]1(C)CCOC1 306285316 631169557 /nfs/dbraw/zinc/16/95/57/631169557.db2.gz KBAOODDLIMEPAV-QMMMGPOBSA-N 0 0 158.197 1.119 10 0 ADAERN C[C@H]1OCC[C@H]1OC(=O)C1CCC1 306264735 631169574 /nfs/dbraw/zinc/16/95/74/631169574.db2.gz ASXYIDCMFAOWAQ-VXNVDRBHSA-N 0 0 184.235 1.507 10 0 ADAERN C[C@H]1OCC[C@@H]1OC(=O)C1CCC1 306264732 631169809 /nfs/dbraw/zinc/16/98/09/631169809.db2.gz ASXYIDCMFAOWAQ-APPZFPTMSA-N 0 0 184.235 1.507 10 0 ADAERN O=C(O[C@@H]1C=CCC1)c1cocn1 306290888 631169812 /nfs/dbraw/zinc/16/98/12/631169812.db2.gz QJYHLKRMVCFZRG-SSDOTTSWSA-N 0 0 179.175 1.550 10 0 ADAERN C/C=C/C(=O)N1CCC2(CCC2)C1 306264766 631169903 /nfs/dbraw/zinc/16/99/03/631169903.db2.gz AVPIRPFQKZQTTH-DUXPYHPUSA-N 0 0 179.263 1.965 10 0 ADAERN O=C([C@H]1C[C@@H]1C(F)F)N1CC(F)C1 306294804 631169952 /nfs/dbraw/zinc/16/99/52/631169952.db2.gz FYGCOLOXLSBTBH-WDSKDSINSA-N 0 0 193.168 1.068 10 0 ADAERN CCC(=O)OCC(C)(C)F 306293964 631169955 /nfs/dbraw/zinc/16/99/55/631169955.db2.gz VQNPKVYVWRVBFP-UHFFFAOYSA-N 0 0 148.177 1.688 10 0 ADAERN O=C(O[C@H]1C=CCC1)c1cocn1 306290889 631170037 /nfs/dbraw/zinc/17/00/37/631170037.db2.gz QJYHLKRMVCFZRG-ZETCQYMHSA-N 0 0 179.175 1.550 10 0 ADAERN C[C@@H]1CCOCCN1C(=O)C1CC1 306264649 631170196 /nfs/dbraw/zinc/17/01/96/631170196.db2.gz DEGMPMQFRZRMSN-MRVPVSSYSA-N 0 0 183.251 1.034 10 0 ADAERN C[C@@H]1OCC[C@@H]1OC(=O)C1CCC1 306264733 631170206 /nfs/dbraw/zinc/17/02/06/631170206.db2.gz ASXYIDCMFAOWAQ-CBAPKCEASA-N 0 0 184.235 1.507 10 0 ADAERN C[C@@H]1OCC[C@H]1OC(=O)C1CCC1 306264734 631170244 /nfs/dbraw/zinc/17/02/44/631170244.db2.gz ASXYIDCMFAOWAQ-IONNQARKSA-N 0 0 184.235 1.507 10 0 ADAERN O=C(C(F)F)N1CC(C2CC2)C1 306265228 631170290 /nfs/dbraw/zinc/17/02/90/631170290.db2.gz DLYKAGJJUIDRAC-UHFFFAOYSA-N 0 0 175.178 1.120 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)[C@@H]1CC1(C)C 306288236 631170521 /nfs/dbraw/zinc/17/05/21/631170521.db2.gz MCPNBJYEEKRRJF-GJMOJQLCSA-N 0 0 167.252 1.557 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CC1(C)C 306288235 631170692 /nfs/dbraw/zinc/17/06/92/631170692.db2.gz MCPNBJYEEKRRJF-CSMHCCOUSA-N 0 0 167.252 1.557 10 0 ADAERN CC(=O)OCc1ocnc1C 306288259 631170803 /nfs/dbraw/zinc/17/08/03/631170803.db2.gz MGJFNDXZAKIPPD-UHFFFAOYSA-N 0 0 155.153 1.046 10 0 ADAERN CSCCC(=O)OCCF 306298763 631170824 /nfs/dbraw/zinc/17/08/24/631170824.db2.gz QBQBTBNAKJJTBF-UHFFFAOYSA-N 0 0 166.217 1.252 10 0 ADAERN CC/C=C(/C)C(=O)N1CC(C)C1 306356412 631170987 /nfs/dbraw/zinc/17/09/87/631170987.db2.gz KIQDJPBIOVTPTK-UITAMQMPSA-N 0 0 167.252 1.821 10 0 ADAERN C[C@H]1C[C@@H]1C(=O)OC1CCOCC1 306425052 631171221 /nfs/dbraw/zinc/17/12/21/631171221.db2.gz IYZDKLPRDKMHFF-CBAPKCEASA-N 0 0 184.235 1.365 10 0 ADAERN CC(C)(F)C(=O)OCCF 306421491 631171233 /nfs/dbraw/zinc/17/12/33/631171233.db2.gz HDYYWNZNGLLPTB-UHFFFAOYSA-N 0 0 152.140 1.247 10 0 ADAERN C/C=C(/C)C(=O)N1CC(C2CC2)C1 306422904 631171239 /nfs/dbraw/zinc/17/12/39/631171239.db2.gz DVKSRMMEAQDHMP-BAQGIRSFSA-N 0 0 179.263 1.821 10 0 ADAERN CC1(C)C[C@H]1C(=O)Nc1cnoc1 306432539 631171245 /nfs/dbraw/zinc/17/12/45/631171245.db2.gz TUFMXHXBWPQVCD-ZETCQYMHSA-N 0 0 180.207 1.659 10 0 ADAERN FC(F)C(F)(F)CN1CC[C@@H]2C[C@@H]21 306417679 631171264 /nfs/dbraw/zinc/17/12/64/631171264.db2.gz TZGINUYUGJETOU-RITPCOANSA-N 0 0 197.175 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C[C@]1(C(=O)NC2CCCC2)CCCO1 87230362 525196934 /nfs/dbraw/zinc/19/69/34/525196934.db2.gz GQJNSKWNGZVEJC-LLVKDONJSA-N 0 0 197.278 1.614 10 0 ADAERN Cc1ccccc1N1NCCCC1=O 77275271 525226743 /nfs/dbraw/zinc/22/67/43/525226743.db2.gz LITNFDPWBZXHIH-UHFFFAOYSA-N 0 0 190.246 1.626 10 0 ADAERN C[C@@H]1C[C@@H](O)CN(c2ccccn2)C1 307607553 525279165 /nfs/dbraw/zinc/27/91/65/525279165.db2.gz CKNMAWOKNKEGGB-NXEZZACHSA-N 0 0 192.262 1.289 10 0 ADAERN C[C@]1(F)CCCN(c2cnccn2)C1 335207610 525279178 /nfs/dbraw/zinc/27/91/78/525279178.db2.gz BEICKXXWWCGNQD-JTQLQIEISA-N 0 0 195.241 1.805 10 0 ADAERN C[C@]1(F)CCCN(c2ncccn2)C1 335208258 525280024 /nfs/dbraw/zinc/28/00/24/525280024.db2.gz SGONCCCAUPLVBN-JTQLQIEISA-N 0 0 195.241 1.805 10 0 ADAERN C[C@@H]1C[C@@H]1NC(=O)C(C)(C)C 82400074 525320652 /nfs/dbraw/zinc/32/06/52/525320652.db2.gz KPNSCDDBMCZQFT-RQJHMYQMSA-N 0 0 155.241 1.557 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncc(F)cn1 158625736 525332091 /nfs/dbraw/zinc/33/20/91/525332091.db2.gz DIGFVOCQSMDJEW-VDTYLAMSSA-N 0 0 167.187 1.436 10 0 ADAERN C[C@@H]1C[C@@H]1Nc1ncc(Cl)cn1 93537907 525332624 /nfs/dbraw/zinc/33/26/24/525332624.db2.gz OFPRYSQEUVZYCN-VDTYLAMSSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H](NC(N)=O)C1CCCC1 69805113 525393249 /nfs/dbraw/zinc/39/32/49/525393249.db2.gz COAOIMXTLRIGFH-ZCFIWIBFSA-N 0 0 156.229 1.233 10 0 ADAERN C[C@@H](NC1COC1)c1cccnc1 82488025 525403893 /nfs/dbraw/zinc/40/38/93/525403893.db2.gz BNBFLNZIERFLPQ-MRVPVSSYSA-N 0 0 178.235 1.131 10 0 ADAERN Cc1ccc(OCCO)cc1F 167596144 525423572 /nfs/dbraw/zinc/42/35/72/525423572.db2.gz DCGZZQNPOUPHMS-UHFFFAOYSA-N 0 0 170.183 1.505 10 0 ADAERN Cc1ccccc1[C@H]1C[C@H]1C(N)=O 238496629 525445764 /nfs/dbraw/zinc/44/57/64/525445764.db2.gz PRQZKKMHXSQFRO-NXEZZACHSA-N 0 0 175.231 1.584 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1ccccc1O 52293335 525497799 /nfs/dbraw/zinc/49/77/99/525497799.db2.gz ICAMKMKJMFQQSB-VXNVDRBHSA-N 0 0 191.230 1.530 10 0 ADAERN C[C@@H]1C[C@H]1NC(=O)c1cccs1 82400121 525497816 /nfs/dbraw/zinc/49/78/16/525497816.db2.gz NRJMZLBMGWDRLX-RNFRBKRXSA-N 0 0 181.260 1.886 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncc(Cl)cn1 93537912 525500766 /nfs/dbraw/zinc/50/07/66/525500766.db2.gz OFPRYSQEUVZYCN-IYSWYEEDSA-N 0 0 183.642 1.950 10 0 ADAERN C[C@@H]1C[C@H]1Nc1ncnc2c1CCC2 61277462 525501002 /nfs/dbraw/zinc/50/10/02/525501002.db2.gz QBENCTBZILSSKP-GMSGAONNSA-N 0 0 189.262 1.786 10 0 ADAERN C[C@@H]1Cc2cc(N)ccc2N(C)C1 71477047 525520077 /nfs/dbraw/zinc/52/00/77/525520077.db2.gz MSLAVXIFBRJJTC-MRVPVSSYSA-N 0 0 176.263 1.897 10 0 ADAERN c1ccc(-c2nnc3ccccn23)nc1 1657987 1224161253 /nfs/dbraw/zinc/16/12/53/1224161253.db2.gz XDDFMBJBQGJWBZ-UHFFFAOYSA-N 0 0 196.213 1.791 10 0 ADAERN CCc1nnc2ccccn12 1695120 1224161262 /nfs/dbraw/zinc/16/12/62/1224161262.db2.gz GAPCRUXXQCVWDJ-UHFFFAOYSA-N 0 0 147.181 1.292 10 0 ADAERN CN(C)C(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2 1667715 1224161286 /nfs/dbraw/zinc/16/12/86/1224161286.db2.gz QZXTYHYAZQOPIP-YWVKMMECSA-N 0 0 179.263 1.677 10 0 ADAERN CCCC(CCC)C(=O)NC 3621882 1224161675 /nfs/dbraw/zinc/16/16/75/1224161675.db2.gz CGCDPLMLTIOADD-UHFFFAOYSA-N 0 0 157.257 1.949 10 0 ADAERN COC1CCC1 5701056 1224162101 /nfs/dbraw/zinc/16/21/01/1224162101.db2.gz GDTFIRYHAYIXIP-UHFFFAOYSA-N 0 0 86.134 1.185 10 0 ADAERN CC(C)CNC(=O)NCC(F)(F)F 5522365 1224162507 /nfs/dbraw/zinc/16/25/07/1224162507.db2.gz ZEVUXMFAWCBGQF-UHFFFAOYSA-N 0 0 198.188 1.504 10 0 ADAERN CC(C)c1ccccc1NCC(N)=O 20044458 1224164012 /nfs/dbraw/zinc/16/40/12/1224164012.db2.gz RUKSTHBHXBIIJA-UHFFFAOYSA-N 0 0 192.262 1.707 10 0 ADAERN CCCCC[C@@H](C)NCC(=O)OC 20086417 1224164369 /nfs/dbraw/zinc/16/43/69/1224164369.db2.gz KVELMLWBBPSDHY-SECBINFHSA-N 0 0 187.283 1.718 10 0 ADAERN CCCCC[C@H](C)NCC(=O)OC 20086419 1224164468 /nfs/dbraw/zinc/16/44/68/1224164468.db2.gz KVELMLWBBPSDHY-VIFPVBQESA-N 0 0 187.283 1.718 10 0 ADAERN CCOC(=O)[C@H]1CC1(Cl)Cl 34617069 1224165639 /nfs/dbraw/zinc/16/56/39/1224165639.db2.gz BNSVECUNFVIJDD-SCSAIBSYSA-N 0 0 183.034 1.743 10 0 ADAERN CCCCCCOC(=O)NC 34605852 1224165710 /nfs/dbraw/zinc/16/57/10/1224165710.db2.gz FZGJNUOPJAIQJH-UHFFFAOYSA-N 0 0 159.229 1.923 10 0 ADAERN C=Cc1ccnc(SC)n1 34617732 1224165812 /nfs/dbraw/zinc/16/58/12/1224165812.db2.gz MQIWEDJQUUEMLB-UHFFFAOYSA-N 0 0 152.222 1.842 10 0 ADAERN C=C(C)C(=O)N(CCC#N)CCC#N 34627952 1224165975 /nfs/dbraw/zinc/16/59/75/1224165975.db2.gz YAZPWUBSCOJDSF-UHFFFAOYSA-N 0 0 191.234 1.218 10 0 ADAERN CC1=C[C@H](C)OCC1 37631235 1224166661 /nfs/dbraw/zinc/16/66/61/1224166661.db2.gz UKAONOPWJRJOCW-ZETCQYMHSA-N 0 0 112.172 1.742 10 0 ADAERN COCCCO[C@H](C)C(C)=O 37747532 1224166975 /nfs/dbraw/zinc/16/69/75/1224166975.db2.gz WMSAUIFUWXUBPL-MRVPVSSYSA-N 0 0 160.213 1.017 10 0 ADAERN CC1=C[C@@H](C)OCC1 37631233 1224167027 /nfs/dbraw/zinc/16/70/27/1224167027.db2.gz UKAONOPWJRJOCW-SSDOTTSWSA-N 0 0 112.172 1.742 10 0 ADAERN C=CC(=O)N(CCC)CC(F)(F)F 37831323 1224167593 /nfs/dbraw/zinc/16/75/93/1224167593.db2.gz CJWYIXNNCFYERU-UHFFFAOYSA-N 0 0 195.184 1.973 10 0 ADAERN C=CC(=O)N(CC)C[C@H]1CCOC1 37834798 1224167674 /nfs/dbraw/zinc/16/76/74/1224167674.db2.gz AQDXCWMLSBKOTM-SECBINFHSA-N 0 0 183.251 1.057 10 0 ADAERN CN(CCO)C(=O)Oc1ccccc1 37863441 1224167896 /nfs/dbraw/zinc/16/78/96/1224167896.db2.gz GXDUIZWUBVZCSO-UHFFFAOYSA-N 0 0 195.218 1.110 10 0 ADAERN Cc1nc2ccc(CC(N)=O)cc2o1 82588349 1224177826 /nfs/dbraw/zinc/17/78/26/1224177826.db2.gz OWQTUFVAKTXJED-UHFFFAOYSA-N 0 0 190.202 1.164 10 0 ADAERN COC(=O)/C=C/COC(C)C 44198379 1224169496 /nfs/dbraw/zinc/16/94/96/1224169496.db2.gz AQFPBQZPHXHPDL-SNAWJCMRSA-N 0 0 158.197 1.141 10 0 ADAERN CC[C@@H](C)NC1(C(=O)OC)CCC1 52140527 1224170181 /nfs/dbraw/zinc/17/01/81/1224170181.db2.gz GRBZCDFOGLKCPH-MRVPVSSYSA-N 0 0 185.267 1.470 10 0 ADAERN CCOC(=O)C1(N[C@H](C)CC)CCC1 52140533 1224170265 /nfs/dbraw/zinc/17/02/65/1224170265.db2.gz LXIBFGOKXBQOPW-SECBINFHSA-N 0 0 199.294 1.860 10 0 ADAERN CC[C@H](C)NC1(C(=O)OC)CCC1 52140530 1224170440 /nfs/dbraw/zinc/17/04/40/1224170440.db2.gz GRBZCDFOGLKCPH-QMMMGPOBSA-N 0 0 185.267 1.470 10 0 ADAERN CCOC(=O)C1(N[C@@H](C)CC)CCC1 52140536 1224170680 /nfs/dbraw/zinc/17/06/80/1224170680.db2.gz LXIBFGOKXBQOPW-VIFPVBQESA-N 0 0 199.294 1.860 10 0 ADAERN C[C@@H]1CCCC[C@H]1OCCCO 62462271 1224171072 /nfs/dbraw/zinc/17/10/72/1224171072.db2.gz SWHIIGHWYNEPKT-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H]1CCCC[C@@H]1OCCCO 62462265 1224171205 /nfs/dbraw/zinc/17/12/05/1224171205.db2.gz SWHIIGHWYNEPKT-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H]1CCC[C@H](OCCCO)C1 62462844 1224171229 /nfs/dbraw/zinc/17/12/29/1224171229.db2.gz MGCGNBKUWZNXAG-UWVGGRQHSA-N 0 0 172.268 1.964 10 0 ADAERN CC(C)CCCN1CCC(=O)C1 62097805 1224171341 /nfs/dbraw/zinc/17/13/41/1224171341.db2.gz TVGHHPIZKJTJSB-UHFFFAOYSA-N 0 0 169.268 1.697 10 0 ADAERN C[C@H]1CCC[C@@H](OCCCO)C1 62462854 1224171367 /nfs/dbraw/zinc/17/13/67/1224171367.db2.gz MGCGNBKUWZNXAG-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@@H]1CCC[C@@H](OCCCO)C1 62462848 1224171647 /nfs/dbraw/zinc/17/16/47/1224171647.db2.gz MGCGNBKUWZNXAG-NXEZZACHSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@H]1CCCC[C@H]1OCCCO 62462274 1224171785 /nfs/dbraw/zinc/17/17/85/1224171785.db2.gz SWHIIGHWYNEPKT-VHSXEESVSA-N 0 0 172.268 1.964 10 0 ADAERN C[C@@H]1CCC[C@H](OCCCO)C1 62462841 1224171911 /nfs/dbraw/zinc/17/19/11/1224171911.db2.gz MGCGNBKUWZNXAG-ZJUUUORDSA-N 0 0 172.268 1.964 10 0 ADAERN CCc1ccnnc1 66348722 1224173639 /nfs/dbraw/zinc/17/36/39/1224173639.db2.gz XGHABZPSYISTKF-UHFFFAOYSA-N 0 0 108.144 1.039 10 0 ADAERN COC[C@@H](O)CNc1ccccc1F 68891424 1224173684 /nfs/dbraw/zinc/17/36/84/1224173684.db2.gz DUFODLTWOVLHPD-QMMMGPOBSA-N 0 0 199.225 1.245 10 0 ADAERN COC[C@@H](O)CNc1ccc(F)cc1 68891414 1224174569 /nfs/dbraw/zinc/17/45/69/1224174569.db2.gz WYBBNYCWIUKZJS-JTQLQIEISA-N 0 0 199.225 1.245 10 0 ADAERN CSCCCN1CCC(=O)CC1 69011962 1224175108 /nfs/dbraw/zinc/17/51/08/1224175108.db2.gz YDLOHUAXOIMJSJ-UHFFFAOYSA-N 0 0 187.308 1.404 10 0 ADAERN CCn1nccc1-c1cccc(N)n1 69022334 1224175022 /nfs/dbraw/zinc/17/50/22/1224175022.db2.gz DQDHYZLPBKJJBN-UHFFFAOYSA-N 0 0 188.234 1.547 10 0 ADAERN CCOc1ccc(CC(N)=O)cc1C 82588684 1224177634 /nfs/dbraw/zinc/17/76/34/1224177634.db2.gz QLXAZPOPRIGFPA-UHFFFAOYSA-N 0 0 193.246 1.422 10 0 ADAERN CCOc1ccc(CC(N)=O)cc1F 82588966 1224177898 /nfs/dbraw/zinc/17/78/98/1224177898.db2.gz CYSQTUZSYGRCGS-UHFFFAOYSA-N 0 0 197.209 1.252 10 0 ADAERN CCc1nc2cc(C(N)=O)ccc2[nH]1 82588280 1224178132 /nfs/dbraw/zinc/17/81/32/1224178132.db2.gz DJCXYUIEIXWOPY-UHFFFAOYSA-N 0 0 189.218 1.224 10 0 ADAERN Cc1ccnc(Nc2ccn(C)n2)c1 86781132 1224179282 /nfs/dbraw/zinc/17/92/82/1224179282.db2.gz XIWCKLXZXVRYQF-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Cc1csc(Nc2ccn(C)n2)n1 86781274 1224179302 /nfs/dbraw/zinc/17/93/02/1224179302.db2.gz QSODCCRILLDECP-UHFFFAOYSA-N 0 0 194.263 1.929 10 0 ADAERN Cn1ccc(Nc2nccs2)n1 86781300 1224179555 /nfs/dbraw/zinc/17/95/55/1224179555.db2.gz CNWLGXGQSIGIOU-UHFFFAOYSA-N 0 0 180.236 1.620 10 0 ADAERN Cc1cccc(Nc2ccn(C)n2)n1 86781308 1224179598 /nfs/dbraw/zinc/17/95/98/1224179598.db2.gz YKPGIPVOHFPGOT-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Cc1cccnc1Nc1ccn(C)n1 86781259 1224179635 /nfs/dbraw/zinc/17/96/35/1224179635.db2.gz KSTJUUKJLBOYEF-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Cc1ccc(Nc2ccn(C)n2)nc1 86781165 1224179656 /nfs/dbraw/zinc/17/96/56/1224179656.db2.gz LEJZYOGNBLNIJO-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Cc1nccc(Nc2ccn(C)n2)n1 86781234 1224179776 /nfs/dbraw/zinc/17/97/76/1224179776.db2.gz QPRMKFLIQKHICX-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN Cn1ccc(Nc2ncccc2F)n1 86781239 1224179965 /nfs/dbraw/zinc/17/99/65/1224179965.db2.gz UATCAOBMASHOLR-UHFFFAOYSA-N 0 0 192.197 1.698 10 0 ADAERN CCCNc1nccc(N(C)CC)n1 87808712 1224181604 /nfs/dbraw/zinc/18/16/04/1224181604.db2.gz FJDZAXZPTJISQU-UHFFFAOYSA-N 0 0 194.282 1.755 10 0 ADAERN CCCN(CCC)c1ccnc(N)n1 87806285 1224181651 /nfs/dbraw/zinc/18/16/51/1224181651.db2.gz ZEDKAFVBEMVYMV-UHFFFAOYSA-N 0 0 194.282 1.685 10 0 ADAERN O=C(OCc1ccccc1)C1(O)CC1 95698766 1224181747 /nfs/dbraw/zinc/18/17/47/1224181747.db2.gz DCWTVFBWLIZZFC-UHFFFAOYSA-N 0 0 192.214 1.255 10 0 ADAERN CCCNc1cc(N(C)CC)ncn1 87808750 1224181929 /nfs/dbraw/zinc/18/19/29/1224181929.db2.gz GXZXYHKCKRFRDG-UHFFFAOYSA-N 0 0 194.282 1.755 10 0 ADAERN CSCCCNc1cncc(N)c1 122350592 1224182512 /nfs/dbraw/zinc/18/25/12/1224182512.db2.gz HEUZIKFEHWVMRH-UHFFFAOYSA-N 0 0 197.307 1.829 10 0 ADAERN CCCNC(=O)N(CC1CC1)C1CC1 122375898 1224182557 /nfs/dbraw/zinc/18/25/57/1224182557.db2.gz ZFDMHRZDALDJGT-UHFFFAOYSA-N 0 0 196.294 1.980 10 0 ADAERN CC(C)[C@H](CO)Nc1cncc(N)c1 122425051 1224182568 /nfs/dbraw/zinc/18/25/68/1224182568.db2.gz NEEUBOHNUYLIDZ-JTQLQIEISA-N 0 0 195.266 1.093 10 0 ADAERN CC(C)NC(=O)N(CC1CC1)C1CC1 122375657 1224182570 /nfs/dbraw/zinc/18/25/70/1224182570.db2.gz QIFOETFDLQYHOL-UHFFFAOYSA-N 0 0 196.294 1.979 10 0 ADAERN Cn1cc(Nc2cncc(N)c2)cn1 122431222 1224182584 /nfs/dbraw/zinc/18/25/84/1224182584.db2.gz OKZACNFQIQGKFG-UHFFFAOYSA-N 0 0 189.222 1.141 10 0 ADAERN Cn1ccc(Nc2cncc(N)c2)n1 122431932 1224182668 /nfs/dbraw/zinc/18/26/68/1224182668.db2.gz ZMRXBLDXGPWMJG-UHFFFAOYSA-N 0 0 189.222 1.141 10 0 ADAERN CCNC(=O)N(CC1CC1)C1CC1 122375457 1224182688 /nfs/dbraw/zinc/18/26/88/1224182688.db2.gz ZWMXWIBWOIPNNN-UHFFFAOYSA-N 0 0 182.267 1.590 10 0 ADAERN CNC(=S)NC1(C)CCCCC1 126175147 1224183790 /nfs/dbraw/zinc/18/37/90/1224183790.db2.gz YJTCDMSVUQWKQC-UHFFFAOYSA-N 0 0 186.324 1.803 10 0 ADAERN CCC[C@@H](O)CNc1ncccc1C 134444006 1224184397 /nfs/dbraw/zinc/18/43/97/1224184397.db2.gz RNBFQISKJQBJGK-SNVBAGLBSA-N 0 0 194.278 1.963 10 0 ADAERN CCC[C@H](O)CNc1ncccc1C 134443982 1224184629 /nfs/dbraw/zinc/18/46/29/1224184629.db2.gz RNBFQISKJQBJGK-JTQLQIEISA-N 0 0 194.278 1.963 10 0 ADAERN CC[C@@H](C)C(=O)NOC(C)(C)C 134513885 1224184788 /nfs/dbraw/zinc/18/47/88/1224184788.db2.gz HDAYBICMTJLORC-SSDOTTSWSA-N 0 0 173.256 1.879 10 0 ADAERN CCC[C@@H](O)CNCC(F)(F)F 134405844 1224184861 /nfs/dbraw/zinc/18/48/61/1224184861.db2.gz YKGOCHFEBAYTGC-ZCFIWIBFSA-N 0 0 185.189 1.299 10 0 ADAERN CC[C@H](C)C(=O)NOC(C)(C)C 134513906 1224184984 /nfs/dbraw/zinc/18/49/84/1224184984.db2.gz HDAYBICMTJLORC-ZETCQYMHSA-N 0 0 173.256 1.879 10 0 ADAERN CCC[C@H](O)CNCC(F)(F)F 134405830 1224185141 /nfs/dbraw/zinc/18/51/41/1224185141.db2.gz YKGOCHFEBAYTGC-LURJTMIESA-N 0 0 185.189 1.299 10 0 ADAERN CN(C(=O)NC1CC1)C1CCCC1 135839964 1224186252 /nfs/dbraw/zinc/18/62/52/1224186252.db2.gz JBMZKACCZXYUPT-UHFFFAOYSA-N 0 0 182.267 1.733 10 0 ADAERN COC(=O)N=c1[nH]c2c(s1)CCC2 135791968 1224186300 /nfs/dbraw/zinc/18/63/00/1224186300.db2.gz IGVGWSSEPLKXFT-UHFFFAOYSA-N 0 0 198.247 1.810 10 0 ADAERN CCc1ccc(C(=O)NC)cc1OC 143129519 1224187351 /nfs/dbraw/zinc/18/73/51/1224187351.db2.gz YTKBEBUYYKZBHS-UHFFFAOYSA-N 0 0 193.246 1.617 10 0 ADAERN COc1ccc2c(c1)N(C)C(=O)CO2 62521894 525546381 /nfs/dbraw/zinc/54/63/81/525546381.db2.gz ZSPGWZQMAKMKKV-UHFFFAOYSA-N 0 0 193.202 1.050 10 0 ADAERN COc1ccc2c(c1)N(C)CCO2 62520059 525546755 /nfs/dbraw/zinc/54/67/55/525546755.db2.gz NEISNWKURCQMEE-UHFFFAOYSA-N 0 0 179.219 1.524 10 0 ADAERN COC(=O)CCc1cc(N)ccc1F 146546350 1224188724 /nfs/dbraw/zinc/18/87/24/1224188724.db2.gz URNGKAFZRNFVMZ-UHFFFAOYSA-N 0 0 197.209 1.514 10 0 ADAERN COc1ccc2c(c1)N(C)CCN2 76936267 525546853 /nfs/dbraw/zinc/54/68/53/525546853.db2.gz VPTVSHRBUWFHMA-UHFFFAOYSA-N 0 0 178.235 1.557 10 0 ADAERN CC(C)Oc1nccn1C 146562798 1224188707 /nfs/dbraw/zinc/18/87/07/1224188707.db2.gz HMNJFCIVUQJJHW-UHFFFAOYSA-N 0 0 140.186 1.207 10 0 ADAERN CCc1cnn(CC(C)(C)O)c1 146571859 1224188792 /nfs/dbraw/zinc/18/87/92/1224188792.db2.gz IUNLBGABUNIHSE-UHFFFAOYSA-N 0 0 168.240 1.216 10 0 ADAERN CCc1cnc(N)c(F)c1 146562463 1224188824 /nfs/dbraw/zinc/18/88/24/1224188824.db2.gz CFJRVKATMOMRBS-UHFFFAOYSA-N 0 0 140.161 1.365 10 0 ADAERN CCc1cc(CO)cc(OC)c1 146621318 1224188909 /nfs/dbraw/zinc/18/89/09/1224188909.db2.gz STAZTJLRWAUKDA-UHFFFAOYSA-N 0 0 166.220 1.750 10 0 ADAERN COc1ccc2c(c1)N(C)[C@H](C)CN2 76936275 525547390 /nfs/dbraw/zinc/54/73/90/525547390.db2.gz CILKUXIJOOMBPJ-MRVPVSSYSA-N 0 0 192.262 1.945 10 0 ADAERN COc1ccc2c(c1)N(C)[C@@H](C)CN2 76936278 525547547 /nfs/dbraw/zinc/54/75/47/525547547.db2.gz CILKUXIJOOMBPJ-QMMMGPOBSA-N 0 0 192.262 1.945 10 0 ADAERN COC(C)(C)CNc1ccc(N)cn1 158900568 1224190154 /nfs/dbraw/zinc/19/01/54/1224190154.db2.gz HIIIIEXOWRISRS-UHFFFAOYSA-N 0 0 195.266 1.501 10 0 ADAERN CC(C)OCCNc1ccc(N)nc1 158892127 1224190646 /nfs/dbraw/zinc/19/06/46/1224190646.db2.gz RDCSJBVMEGQTNA-UHFFFAOYSA-N 0 0 195.266 1.501 10 0 ADAERN COC(C)(C)CNc1ccc(N)nc1 158902719 1224190986 /nfs/dbraw/zinc/19/09/86/1224190986.db2.gz PVSLLAUSQWUJRY-UHFFFAOYSA-N 0 0 195.266 1.501 10 0 ADAERN C[C@H](CO)COc1ccc(C=O)cc1 160817032 1224191924 /nfs/dbraw/zinc/19/19/24/1224191924.db2.gz RFTHTFASRBXPSY-SECBINFHSA-N 0 0 194.230 1.506 10 0 ADAERN C[C@H](CO)COc1ccccc1C=O 160817280 1224192083 /nfs/dbraw/zinc/19/20/83/1224192083.db2.gz IMUVZYCJHTYIGY-SECBINFHSA-N 0 0 194.230 1.506 10 0 ADAERN C[C@@H](CO)COc1ccccc1C=O 160817165 1224192108 /nfs/dbraw/zinc/19/21/08/1224192108.db2.gz IMUVZYCJHTYIGY-VIFPVBQESA-N 0 0 194.230 1.506 10 0 ADAERN C[C@@H](CO)COc1ccc(C=O)cc1 160816901 1224192259 /nfs/dbraw/zinc/19/22/59/1224192259.db2.gz RFTHTFASRBXPSY-VIFPVBQESA-N 0 0 194.230 1.506 10 0 ADAERN CC(C)(CO)COC1CCC1 161261814 1224192980 /nfs/dbraw/zinc/19/29/80/1224192980.db2.gz GLZQBTXESAVVOS-UHFFFAOYSA-N 0 0 158.241 1.574 10 0 ADAERN Cc1cnc(CN(C)C)s1 164736369 1224194849 /nfs/dbraw/zinc/19/48/49/1224194849.db2.gz JSNASUVNWWCZDB-UHFFFAOYSA-N 0 0 156.254 1.513 10 0 ADAERN Nc1ccccc1-c1ccncc1N 164937570 1224194991 /nfs/dbraw/zinc/19/49/91/1224194991.db2.gz SSVCLSGFTOOJEV-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN c1ccc(-c2cnoc2)nc1 164854442 1224195132 /nfs/dbraw/zinc/19/51/32/1224195132.db2.gz VBCXTLWGLOJCOR-UHFFFAOYSA-N 0 0 146.149 1.737 10 0 ADAERN CO[C@@H](C)c1nccs1 164695017 1224195200 /nfs/dbraw/zinc/19/52/00/1224195200.db2.gz AZNQONDVABBUJU-YFKPBYRVSA-N 0 0 143.211 1.851 10 0 ADAERN CO[C@H](C)c1nccs1 164695122 1224195250 /nfs/dbraw/zinc/19/52/50/1224195250.db2.gz AZNQONDVABBUJU-RXMQYKEDSA-N 0 0 143.211 1.851 10 0 ADAERN COc1ccc2c(c1)NCC(=O)N2C 76890592 525553181 /nfs/dbraw/zinc/55/31/81/525553181.db2.gz BPQIZDVCAWAYDE-UHFFFAOYSA-N 0 0 192.218 1.084 10 0 ADAERN CCc1ccc(O)c(CO)c1 166115677 1224196037 /nfs/dbraw/zinc/19/60/37/1224196037.db2.gz UXRVYHCXUCEIKK-UHFFFAOYSA-N 0 0 152.193 1.447 10 0 ADAERN OC1CCC(Oc2ccncc2)CC1 165044149 1224196656 /nfs/dbraw/zinc/19/66/56/1224196656.db2.gz VJGQJYNBXQEIGA-UHFFFAOYSA-N 0 0 193.246 1.764 10 0 ADAERN CCNC(=S)Nc1cscn1 166132281 1224196725 /nfs/dbraw/zinc/19/67/25/1224196725.db2.gz UXEVWOXQESQTEA-UHFFFAOYSA-N 0 0 187.293 1.449 10 0 ADAERN CC(C)NC(=O)c1cc(N)cc(F)c1 165097771 1224196858 /nfs/dbraw/zinc/19/68/58/1224196858.db2.gz LOPOITIWBWQOES-UHFFFAOYSA-N 0 0 196.225 1.546 10 0 ADAERN C=CCOC(=O)c1c[nH]cc1C 166182255 1224197370 /nfs/dbraw/zinc/19/73/70/1224197370.db2.gz HPJNYXVYUHHZEC-UHFFFAOYSA-N 0 0 165.192 1.666 10 0 ADAERN CC[C@@H](C)C(=O)OCCOC 166183174 1224197570 /nfs/dbraw/zinc/19/75/70/1224197570.db2.gz BUAPGBVQSBDEMU-SSDOTTSWSA-N 0 0 160.213 1.222 10 0 ADAERN CC[C@H](C)C(=O)OCCOC 166183285 1224197732 /nfs/dbraw/zinc/19/77/32/1224197732.db2.gz BUAPGBVQSBDEMU-ZETCQYMHSA-N 0 0 160.213 1.222 10 0 ADAERN C#CCCCCC(=O)OCC#C 166480910 1224198255 /nfs/dbraw/zinc/19/82/55/1224198255.db2.gz FWZUREOANNSFPW-UHFFFAOYSA-N 0 0 164.204 1.356 10 0 ADAERN C[C@@H]1Nc2cc(F)ccc2N(C)C1=O 76891062 525555512 /nfs/dbraw/zinc/55/55/12/525555512.db2.gz HZYYHGULNFOGHW-LURJTMIESA-N 0 0 194.209 1.603 10 0 ADAERN CCc1nnc(C(F)(F)F)o1 168124644 1224199326 /nfs/dbraw/zinc/19/93/26/1224199326.db2.gz TWGHPGUJTATLMY-UHFFFAOYSA-N 0 0 166.102 1.651 10 0 ADAERN COC(=O)CCc1cncc(OC)c1 168185337 1224199648 /nfs/dbraw/zinc/19/96/48/1224199648.db2.gz QRWOJCWXAATKHF-UHFFFAOYSA-N 0 0 195.218 1.196 10 0 ADAERN COC(=O)CCc1ccc(F)cn1 168126565 1224199721 /nfs/dbraw/zinc/19/97/21/1224199721.db2.gz WTAYPLUAYMGKRU-UHFFFAOYSA-N 0 0 183.182 1.326 10 0 ADAERN CC(C)n1cc(NC#N)cn1 168198443 1224199769 /nfs/dbraw/zinc/19/97/69/1224199769.db2.gz RLVVVGOWFAPVPH-UHFFFAOYSA-N 0 0 150.185 1.357 10 0 ADAERN Cc1cnn(CC2CC2)c1 168211058 1224199825 /nfs/dbraw/zinc/19/98/25/1224199825.db2.gz LTDPQUYNXMAUAP-UHFFFAOYSA-N 0 0 136.198 1.602 10 0 ADAERN Cc1ccncc1NC#N 168204661 1224199874 /nfs/dbraw/zinc/19/98/74/1224199874.db2.gz SPHPLJSNUHBMDT-UHFFFAOYSA-N 0 0 133.154 1.283 10 0 ADAERN Cc1cnn([C@H]2CCOC2)c1 168214301 1224199900 /nfs/dbraw/zinc/19/99/00/1224199900.db2.gz IVPBGXQTXQTHSY-QMMMGPOBSA-N 0 0 152.197 1.153 10 0 ADAERN N#CNc1ccc(Cl)cn1 168162087 1224200068 /nfs/dbraw/zinc/20/00/68/1224200068.db2.gz PLDNBTBGNXKWAD-UHFFFAOYSA-N 0 0 153.572 1.628 10 0 ADAERN CC[C@H](N[C@@H](C)CC1CC1)C(=O)OC 168359369 1224200886 /nfs/dbraw/zinc/20/08/86/1224200886.db2.gz KZWDVSRETKFXEZ-WPRPVWTQSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@H](N[C@H](C)CC1CC1)C(=O)OC 168359573 1224201141 /nfs/dbraw/zinc/20/11/41/1224201141.db2.gz KZWDVSRETKFXEZ-SCZZXKLOSA-N 0 0 199.294 1.716 10 0 ADAERN CC[C@@H](N[C@@H](C)CC1CC1)C(=O)OC 168359464 1224201340 /nfs/dbraw/zinc/20/13/40/1224201340.db2.gz KZWDVSRETKFXEZ-WCBMZHEXSA-N 0 0 199.294 1.716 10 0 ADAERN C=CC(=O)N1[C@@H](C)CC[C@@H]1C 196195273 1224203320 /nfs/dbraw/zinc/20/33/20/1224203320.db2.gz GSMFRHZTGCWYBC-YUMQZZPRSA-N 0 0 153.225 1.572 10 0 ADAERN C=CC(=O)N1[C@@H](C)CC[C@H]1C 196195267 1224203396 /nfs/dbraw/zinc/20/33/96/1224203396.db2.gz GSMFRHZTGCWYBC-OCAPTIKFSA-N 0 0 153.225 1.572 10 0 ADAERN C=CC(=O)N1[C@H](C)CC[C@H]1C 196195278 1224203793 /nfs/dbraw/zinc/20/37/93/1224203793.db2.gz GSMFRHZTGCWYBC-HTQZYQBOSA-N 0 0 153.225 1.572 10 0 ADAERN CC(C)/C=C/C(=O)N1CCCC1 196340573 1224203906 /nfs/dbraw/zinc/20/39/06/1224203906.db2.gz UCYYEDHCARUTIT-AATRIKPKSA-N 0 0 167.252 1.821 10 0 ADAERN N#CNc1nncc2ccccc12 196307000 1224203934 /nfs/dbraw/zinc/20/39/34/1224203934.db2.gz PSLFBKRNDREHTD-UHFFFAOYSA-N 0 0 170.175 1.523 10 0 ADAERN CCOC(=O)c1cnccc1N(C)C 196527786 1224204510 /nfs/dbraw/zinc/20/45/10/1224204510.db2.gz GFUAUCNZAUGWCQ-UHFFFAOYSA-N 0 0 194.234 1.324 10 0 ADAERN COC(=O)Nc1ccc(Cl)nc1 196512656 1224204607 /nfs/dbraw/zinc/20/46/07/1224204607.db2.gz BTSYSEJAFPRMRV-UHFFFAOYSA-N 0 0 186.598 1.913 10 0 ADAERN C=Cc1cnc(SC)nc1 197209921 1224205489 /nfs/dbraw/zinc/20/54/89/1224205489.db2.gz TWGAXEUKXCXPNF-UHFFFAOYSA-N 0 0 152.222 1.842 10 0 ADAERN CCOC(=O)[C@H](OC)C(F)(F)F 197240602 1224205511 /nfs/dbraw/zinc/20/55/11/1224205511.db2.gz GAJZAZSIMQHEJT-BYPYZUCNSA-N 0 0 186.129 1.127 10 0 ADAERN CCc1cc(N(C)C)nc(C)n1 197553157 1224206192 /nfs/dbraw/zinc/20/61/92/1224206192.db2.gz JDGSVHSDKWIPGC-UHFFFAOYSA-N 0 0 165.240 1.413 10 0 ADAERN C/C=C(/CC)C(=O)OCCOC 197699321 1224206213 /nfs/dbraw/zinc/20/62/13/1224206213.db2.gz GOGYUYBGIYZNDH-YWEYNIOJSA-N 0 0 172.224 1.532 10 0 ADAERN COCCc1ccnc(C)c1 198929555 1224206753 /nfs/dbraw/zinc/20/67/53/1224206753.db2.gz SDFBIJJUVJDBJN-UHFFFAOYSA-N 0 0 151.209 1.579 10 0 ADAERN CC(C)Oc1ccc2c(c1)C(=O)NC2 198787906 1224207118 /nfs/dbraw/zinc/20/71/18/1224207118.db2.gz ALIXXYFICKQOGQ-UHFFFAOYSA-N 0 0 191.230 1.717 10 0 ADAERN COCOc1ccc(C)cn1 199884539 1224208521 /nfs/dbraw/zinc/20/85/21/1224208521.db2.gz SEEYYJZNWVVEDQ-UHFFFAOYSA-N 0 0 153.181 1.373 10 0 ADAERN CC(C)Oc1ccc2c(c1)NC(=O)C2 199994262 1224209955 /nfs/dbraw/zinc/20/99/55/1224209955.db2.gz CXFQWRHBZXJSBA-UHFFFAOYSA-N 0 0 191.230 1.968 10 0 ADAERN COC(=O)Cc1ccc(F)cc1O 201356195 1224211473 /nfs/dbraw/zinc/21/14/73/1224211473.db2.gz KEPHDBNKTBNLGF-UHFFFAOYSA-N 0 0 184.166 1.247 10 0 ADAERN Cc1cc(CC(C)C)n(C)n1 202581298 1224212652 /nfs/dbraw/zinc/21/26/52/1224212652.db2.gz BNALWBNOBQCXIN-UHFFFAOYSA-N 0 0 152.241 1.927 10 0 ADAERN CCNC(=O)Nc1cc(C)ccc1O 202670729 1224213279 /nfs/dbraw/zinc/21/32/79/1224213279.db2.gz KJAIMWAGBAKQPR-UHFFFAOYSA-N 0 0 194.234 1.842 10 0 ADAERN CCCOCCNC(=O)C(C)(C)C 202837207 1224214097 /nfs/dbraw/zinc/21/40/97/1224214097.db2.gz QAULLHWNZYGSJT-UHFFFAOYSA-N 0 0 187.283 1.575 10 0 ADAERN COC(=O)Cc1ccc(C)c(N)c1 213603874 1224215989 /nfs/dbraw/zinc/21/59/89/1224215989.db2.gz VDUJKCFALJSVRM-UHFFFAOYSA-N 0 0 179.219 1.293 10 0 ADAERN FCCn1cnc(Br)n1 213752548 1224216037 /nfs/dbraw/zinc/21/60/37/1224216037.db2.gz GDTFXNPEQYSIEZ-UHFFFAOYSA-N 0 0 194.007 1.010 10 0 ADAERN C1CC(c2nnc([C@H]3CCC[NH2+]3)o2)C1 213717740 1224216047 /nfs/dbraw/zinc/21/60/47/1224216047.db2.gz VYFMXHQQQKTVRP-MRVPVSSYSA-N 0 0 193.250 1.762 10 0 ADAERN C1CC(c2nnc([C@@H]3CCC[NH2+]3)o2)C1 213717675 1224216134 /nfs/dbraw/zinc/21/61/34/1224216134.db2.gz VYFMXHQQQKTVRP-QMMMGPOBSA-N 0 0 193.250 1.762 10 0 ADAERN Oc1cccc(O[C@@H]2CCCOC2)c1 213768295 1224216168 /nfs/dbraw/zinc/21/61/68/1224216168.db2.gz KPCFYKZHUPLMOA-LLVKDONJSA-N 0 0 194.230 1.950 10 0 ADAERN C/C=C\C(=O)N[C@@H](C)CC 213603021 1224216257 /nfs/dbraw/zinc/21/62/57/1224216257.db2.gz GJVULYAMMGGVSM-NGAMADIESA-N 0 0 141.214 1.477 10 0 ADAERN Oc1ccccc1O[C@@H]1CCCOC1 213768139 1224216419 /nfs/dbraw/zinc/21/64/19/1224216419.db2.gz RIFPUIIELWKBIF-SECBINFHSA-N 0 0 194.230 1.950 10 0 ADAERN COC(=O)CCc1ccc(C)cc1N 213707616 1224216512 /nfs/dbraw/zinc/21/65/12/1224216512.db2.gz CKDGMKTZYLPMBH-UHFFFAOYSA-N 0 0 193.246 1.683 10 0 ADAERN CCc1cc(F)cc(CO)c1 213699546 1224216526 /nfs/dbraw/zinc/21/65/26/1224216526.db2.gz QMXPFMOVVNBNER-UHFFFAOYSA-N 0 0 154.184 1.880 10 0 ADAERN Oc1cccc(O[C@H]2CCCOC2)c1 213768356 1224216651 /nfs/dbraw/zinc/21/66/51/1224216651.db2.gz KPCFYKZHUPLMOA-NSHDSACASA-N 0 0 194.230 1.950 10 0 ADAERN Cc1nc2ccc(N)nc2n1C(C)C 213609672 1224216918 /nfs/dbraw/zinc/21/69/18/1224216918.db2.gz UTYMACGFQZIITP-UHFFFAOYSA-N 0 0 190.250 1.903 10 0 ADAERN Oc1ccccc1O[C@H]1CCCOC1 213768204 1224216969 /nfs/dbraw/zinc/21/69/69/1224216969.db2.gz RIFPUIIELWKBIF-VIFPVBQESA-N 0 0 194.230 1.950 10 0 ADAERN COC(=O)Cc1cc(Cl)ccc1N 214196627 1224217516 /nfs/dbraw/zinc/21/75/16/1224217516.db2.gz BBICMQMAWNDOAO-UHFFFAOYSA-N 0 0 199.637 1.638 10 0 ADAERN Nc1ccccc1-n1nccc1N 214077953 1224217906 /nfs/dbraw/zinc/21/79/06/1224217906.db2.gz GYDTTZGFFIQTIQ-UHFFFAOYSA-N 0 0 174.207 1.037 10 0 ADAERN COC(=O)c1c(OC)ccc(N)c1F 214143236 1224218132 /nfs/dbraw/zinc/21/81/32/1224218132.db2.gz FVVMHFFTMCCBNJ-UHFFFAOYSA-N 0 0 199.181 1.203 10 0 ADAERN CC[C@@H](C)OC(=O)NC(C)(C)CO 219128750 1224219052 /nfs/dbraw/zinc/21/90/52/1224219052.db2.gz VKDWSVYLFFRHBA-SSDOTTSWSA-N 0 0 189.255 1.282 10 0 ADAERN C[C@@H]1OCC[C@@H]1NC(=O)c1ccco1 134596485 525575131 /nfs/dbraw/zinc/57/51/31/525575131.db2.gz FHNBTWWUIMHGJB-YUMQZZPRSA-N 0 0 195.218 1.187 10 0 ADAERN CCCCNc1nnc(Cl)nn1 219244183 1224219345 /nfs/dbraw/zinc/21/93/45/1224219345.db2.gz ZTTITJARDMUBSU-UHFFFAOYSA-N 0 0 187.634 1.132 10 0 ADAERN CC[C@H](C)OC(=O)NC(C)(C)CO 219128832 1224219738 /nfs/dbraw/zinc/21/97/38/1224219738.db2.gz VKDWSVYLFFRHBA-ZETCQYMHSA-N 0 0 189.255 1.282 10 0 ADAERN CC(C)Oc1ccnnc1 219198617 1224219968 /nfs/dbraw/zinc/21/99/68/1224219968.db2.gz PKPVRKPRXPLOIC-UHFFFAOYSA-N 0 0 138.170 1.264 10 0 ADAERN NOCc1nc(-c2ccccc2)no1 219166489 1224220449 /nfs/dbraw/zinc/22/04/49/1224220449.db2.gz ISZPCRYKDURRMD-UHFFFAOYSA-N 0 0 191.190 1.127 10 0 ADAERN Cc1cccc2c1CN(C)C2=O 219347649 1224221154 /nfs/dbraw/zinc/22/11/54/1224221154.db2.gz SUTGHNPXFHMCBA-UHFFFAOYSA-N 0 0 161.204 1.581 10 0 ADAERN CC(C)Cc1nnc(C(=O)C2CC2)o1 219431613 1224221680 /nfs/dbraw/zinc/22/16/80/1224221680.db2.gz BHQVWSPJTRGDNC-UHFFFAOYSA-N 0 0 194.234 1.861 10 0 ADAERN CCO[C@H]1CCC[C@H](C(=O)OC)C1 219372841 1224221963 /nfs/dbraw/zinc/22/19/63/1224221963.db2.gz NCRIZRWULZHMKC-IUCAKERBSA-N 0 0 186.251 1.755 10 0 ADAERN CCO[C@H]1CCC[C@@H](C(=O)OC)C1 219372914 1224222556 /nfs/dbraw/zinc/22/25/56/1224222556.db2.gz NCRIZRWULZHMKC-BDAKNGLRSA-N 0 0 186.251 1.755 10 0 ADAERN CCCCSc1nnnn1CC 220266566 1224223057 /nfs/dbraw/zinc/22/30/57/1224223057.db2.gz ACKBDKMXCWVDSF-UHFFFAOYSA-N 0 0 186.284 1.585 10 0 ADAERN CCN(C)C(=O)c1cc(O)cc(O)c1 220404562 1224224336 /nfs/dbraw/zinc/22/43/36/1224224336.db2.gz LEFJYHBLRAUHPD-UHFFFAOYSA-N 0 0 195.218 1.190 10 0 ADAERN C=CC(=O)N(CCC)CC(F)F 220628785 1224225229 /nfs/dbraw/zinc/22/52/29/1224225229.db2.gz ABOXXCFORNCEFF-UHFFFAOYSA-N 0 0 177.194 1.676 10 0 ADAERN O=C1CCN(Cc2cccc(O)c2)C1 223070993 1224226110 /nfs/dbraw/zinc/22/61/10/1224226110.db2.gz BHJYCKXIRWYDDO-UHFFFAOYSA-N 0 0 191.230 1.167 10 0 ADAERN COCCC(=O)OCc1ccccc1 223076871 1224226162 /nfs/dbraw/zinc/22/61/62/1224226162.db2.gz ASHDJGXHXDAAIN-UHFFFAOYSA-N 0 0 194.230 1.766 10 0 ADAERN O=C(OC[C@@H]1CCO1)c1ccccc1 223318263 1224226391 /nfs/dbraw/zinc/22/63/91/1224226391.db2.gz WDKTWDJRPZXBDH-JTQLQIEISA-N 0 0 192.214 1.632 10 0 ADAERN O=C(OC[C@H]1CCO1)c1ccccc1 223318321 1224226443 /nfs/dbraw/zinc/22/64/43/1224226443.db2.gz WDKTWDJRPZXBDH-SNVBAGLBSA-N 0 0 192.214 1.632 10 0 ADAERN Cc1nn(C)cc1Nc1ccccn1 227495377 1224226805 /nfs/dbraw/zinc/22/68/05/1224226805.db2.gz JKIMCQNXRUWDOP-UHFFFAOYSA-N 0 0 188.234 1.867 10 0 ADAERN Cc1nn(C)cc1NC(=O)OC(C)C 227477733 1224227468 /nfs/dbraw/zinc/22/74/68/1224227468.db2.gz TUWMSJZCFUBDBF-UHFFFAOYSA-N 0 0 197.238 1.685 10 0 ADAERN COC(=O)NCc1ccc(CO)cc1 227487282 1224228021 /nfs/dbraw/zinc/22/80/21/1224228021.db2.gz BYJALVMRDOVMJS-UHFFFAOYSA-N 0 0 195.218 1.035 10 0 ADAERN Cc1nn(C)cc1Nc1nccs1 227496777 1224228314 /nfs/dbraw/zinc/22/83/14/1224228314.db2.gz FIDNULYSBPAUKF-UHFFFAOYSA-N 0 0 194.263 1.929 10 0 ADAERN Cc1nn(C)cc1Nc1ccncn1 227495584 1224228445 /nfs/dbraw/zinc/22/84/45/1224228445.db2.gz MEYJMAUOUZWPJS-UHFFFAOYSA-N 0 0 189.222 1.262 10 0 ADAERN COC(=O)c1ccc([C@H](C)O)c(F)c1 231396399 1224230213 /nfs/dbraw/zinc/23/02/13/1224230213.db2.gz VFZZRNVDOCSWED-LURJTMIESA-N 0 0 198.193 1.666 10 0 ADAERN CC(C)CNC(=S)Nc1ncco1 231502952 1224230791 /nfs/dbraw/zinc/23/07/91/1224230791.db2.gz NDXUGJYLZSNBET-UHFFFAOYSA-N 0 0 199.279 1.617 10 0 ADAERN CC(C)Oc1cccc2c1CC(=O)N2 231502094 1224230837 /nfs/dbraw/zinc/23/08/37/1224230837.db2.gz QNRPWKNXSLWPKP-UHFFFAOYSA-N 0 0 191.230 1.968 10 0 ADAERN COCCOCc1cccc(CO)c1 231489018 1224230937 /nfs/dbraw/zinc/23/09/37/1224230937.db2.gz CALGFJPQURNLQT-UHFFFAOYSA-N 0 0 196.246 1.342 10 0 ADAERN CCCc1cncc(C(=O)OC)c1 231536526 1224231005 /nfs/dbraw/zinc/23/10/05/1224231005.db2.gz SXVRUNONBXCFJJ-UHFFFAOYSA-N 0 0 179.219 1.821 10 0 ADAERN CC(C)NC(=S)Nc1ncco1 231502775 1224230958 /nfs/dbraw/zinc/23/09/58/1224230958.db2.gz NFFXRXWFOAUMKG-UHFFFAOYSA-N 0 0 185.252 1.369 10 0 ADAERN CCCCNC(=S)Nc1ncco1 231503089 1224230966 /nfs/dbraw/zinc/23/09/66/1224230966.db2.gz IMFIWEYDYCRAPQ-UHFFFAOYSA-N 0 0 199.279 1.761 10 0 ADAERN CCO[C@H]1CC[C@@H](C(=O)OC)C1 231499191 1224231085 /nfs/dbraw/zinc/23/10/85/1224231085.db2.gz QPHMNNNQRCAIFY-SFYZADRCSA-N 0 0 172.224 1.365 10 0 ADAERN C1CC(OC2CC2)C1 231522519 1224231097 /nfs/dbraw/zinc/23/10/97/1224231097.db2.gz NZHMPBYLGDGKOJ-UHFFFAOYSA-N 0 0 112.172 1.718 10 0 ADAERN C[C@H]1CC[C@H](NCc2ncon2)C1 231775908 1224231829 /nfs/dbraw/zinc/23/18/29/1224231829.db2.gz CSFLPOQYYVAAIN-YUMQZZPRSA-N 0 0 181.239 1.348 10 0 ADAERN C[C@H](CC1CC1)NCc1ncon1 231779379 1224231856 /nfs/dbraw/zinc/23/18/56/1224231856.db2.gz SSEKZHXUTSMHJS-SSDOTTSWSA-N 0 0 181.239 1.348 10 0 ADAERN c1nc(CNC2CCSCC2)no1 231778511 1224231877 /nfs/dbraw/zinc/23/18/77/1224231877.db2.gz OJSQIQWBGJLWAZ-UHFFFAOYSA-N 0 0 199.279 1.055 10 0 ADAERN c1nc(CNC2CCCCC2)no1 231777940 1224231924 /nfs/dbraw/zinc/23/19/24/1224231924.db2.gz WMXZKMMFJWQDRK-UHFFFAOYSA-N 0 0 181.239 1.492 10 0 ADAERN CC[C@@H]1CC[C@H](NCc2ncon2)C1 231778884 1224231998 /nfs/dbraw/zinc/23/19/98/1224231998.db2.gz JLABSVAXRZKMJG-BDAKNGLRSA-N 0 0 195.266 1.738 10 0 ADAERN CCC(CC)NCc1ncon1 231773898 1224232055 /nfs/dbraw/zinc/23/20/55/1224232055.db2.gz IZSSIMQONJCNKB-UHFFFAOYSA-N 0 0 169.228 1.348 10 0 ADAERN CC(C)CC[C@@H](C)NCc1ncon1 231775266 1224232115 /nfs/dbraw/zinc/23/21/15/1224232115.db2.gz RSBPNJYCNHEEDU-SECBINFHSA-N 0 0 197.282 1.984 10 0 ADAERN C[C@H]1CC[C@@H](NCc2ncon2)C1 231775901 1224232138 /nfs/dbraw/zinc/23/21/38/1224232138.db2.gz CSFLPOQYYVAAIN-JGVFFNPUSA-N 0 0 181.239 1.348 10 0 ADAERN c1nc(CN[C@H]2CCCSC2)no1 231782406 1224232844 /nfs/dbraw/zinc/23/28/44/1224232844.db2.gz SSTHXQZQLYRALA-ZETCQYMHSA-N 0 0 199.279 1.055 10 0 ADAERN CC[C@H]1CC[C@H](NCc2ncon2)C1 231778887 1224232259 /nfs/dbraw/zinc/23/22/59/1224232259.db2.gz JLABSVAXRZKMJG-IUCAKERBSA-N 0 0 195.266 1.738 10 0 ADAERN C[C@@H]1CC[C@@H](NCc2ncon2)C1 231775898 1224232341 /nfs/dbraw/zinc/23/23/41/1224232341.db2.gz CSFLPOQYYVAAIN-HTQZYQBOSA-N 0 0 181.239 1.348 10 0 ADAERN CCC[C@@H](CC)NCc1ncon1 231781860 1224232359 /nfs/dbraw/zinc/23/23/59/1224232359.db2.gz SPXKDHMHCSWOIA-MRVPVSSYSA-N 0 0 183.255 1.738 10 0 ADAERN CC[C@@H]1CC[C@@H](NCc2ncon2)C1 231778878 1224232382 /nfs/dbraw/zinc/23/23/82/1224232382.db2.gz JLABSVAXRZKMJG-RKDXNWHRSA-N 0 0 195.266 1.738 10 0 ADAERN C[C@@H]1CC[C@H](NCc2ncon2)C1 231775904 1224232409 /nfs/dbraw/zinc/23/24/09/1224232409.db2.gz CSFLPOQYYVAAIN-SFYZADRCSA-N 0 0 181.239 1.348 10 0 ADAERN C[C@@H](CC1CC1)NCc1ncon1 231779375 1224232461 /nfs/dbraw/zinc/23/24/61/1224232461.db2.gz SSEKZHXUTSMHJS-ZETCQYMHSA-N 0 0 181.239 1.348 10 0 ADAERN CC1CCC(NCc2ncon2)CC1 231773675 1224232536 /nfs/dbraw/zinc/23/25/36/1224232536.db2.gz MOHIVXDQHSPEOE-UHFFFAOYSA-N 0 0 195.266 1.738 10 0 ADAERN c1nc(CN[C@@H]2CCCSC2)no1 231782402 1224232602 /nfs/dbraw/zinc/23/26/02/1224232602.db2.gz SSTHXQZQLYRALA-SSDOTTSWSA-N 0 0 199.279 1.055 10 0 ADAERN CCC[C@H](CC)NCc1ncon1 231781863 1224232728 /nfs/dbraw/zinc/23/27/28/1224232728.db2.gz SPXKDHMHCSWOIA-QMMMGPOBSA-N 0 0 183.255 1.738 10 0 ADAERN CCC[C@H](C)NCc1ncon1 231778011 1224232749 /nfs/dbraw/zinc/23/27/49/1224232749.db2.gz RYXSJWHPLKQJPG-ZETCQYMHSA-N 0 0 169.228 1.348 10 0 ADAERN CCCC[C@@H](C)NCc1ncon1 231780010 1224232760 /nfs/dbraw/zinc/23/27/60/1224232760.db2.gz RWYDTLZJPGLPMO-MRVPVSSYSA-N 0 0 183.255 1.738 10 0 ADAERN CCCC[C@H](C)NCc1ncon1 231780014 1224232667 /nfs/dbraw/zinc/23/26/67/1224232667.db2.gz RWYDTLZJPGLPMO-QMMMGPOBSA-N 0 0 183.255 1.738 10 0 ADAERN CCC[C@@H](C)NCc1ncon1 231778008 1224232836 /nfs/dbraw/zinc/23/28/36/1224232836.db2.gz RYXSJWHPLKQJPG-SSDOTTSWSA-N 0 0 169.228 1.348 10 0 ADAERN CC[C@H]1CC[C@@H](NCc2ncon2)C1 231778881 1224232993 /nfs/dbraw/zinc/23/29/93/1224232993.db2.gz JLABSVAXRZKMJG-DTWKUNHWSA-N 0 0 195.266 1.738 10 0 ADAERN CC(C)CC[C@H](C)NCc1ncon1 231775269 1224233019 /nfs/dbraw/zinc/23/30/19/1224233019.db2.gz RSBPNJYCNHEEDU-VIFPVBQESA-N 0 0 197.282 1.984 10 0 ADAERN CC(C)(Nc1ccnc(N)n1)C1CC1 232537302 1224233485 /nfs/dbraw/zinc/23/34/85/1224233485.db2.gz KGDIQTSIJXNKRV-UHFFFAOYSA-N 0 0 192.266 1.659 10 0 ADAERN CC(C)(Nc1cc(N)ncn1)C1CC1 232534448 1224233776 /nfs/dbraw/zinc/23/37/76/1224233776.db2.gz IHWIAMPSIMYGQY-UHFFFAOYSA-N 0 0 192.266 1.659 10 0 ADAERN CC(C)(Nc1ncc(N)cn1)C1CC1 232539134 1224233977 /nfs/dbraw/zinc/23/39/77/1224233977.db2.gz WOBAGGVPUYDHMJ-UHFFFAOYSA-N 0 0 192.266 1.659 10 0 ADAERN CC(C)(O)C(=O)NC(C)(C)C1CC1 232561175 1224234187 /nfs/dbraw/zinc/23/41/87/1224234187.db2.gz LNYZRUYQWAEHPW-UHFFFAOYSA-N 0 0 185.267 1.062 10 0 ADAERN CC(=O)c1cccnc1OC1COC1 232566850 1224234297 /nfs/dbraw/zinc/23/42/97/1224234297.db2.gz BFSCJNUOKHOHPR-UHFFFAOYSA-N 0 0 193.202 1.062 10 0 ADAERN CC(C)OC(=O)NCc1cccnn1 232686426 1224234908 /nfs/dbraw/zinc/23/49/08/1224234908.db2.gz KTPNQTLXAOUREA-UHFFFAOYSA-N 0 0 195.222 1.111 10 0 ADAERN CC(C)N(CC1CC1)C(=O)C(C)(C)O 232629033 1224234961 /nfs/dbraw/zinc/23/49/61/1224234961.db2.gz LWBVDZDPFLTYEP-UHFFFAOYSA-N 0 0 199.294 1.404 10 0 ADAERN CC(C)C[C@@H](C)Oc1cc(=O)[nH]cn1 232617937 1224235115 /nfs/dbraw/zinc/23/51/15/1224235115.db2.gz LTCZOFFAEWYQDS-MRVPVSSYSA-N 0 0 196.250 1.583 10 0 ADAERN CC(C)[C@H](C)Oc1cc(=O)[nH]cn1 232729908 1224235180 /nfs/dbraw/zinc/23/51/80/1224235180.db2.gz CWJZEENZCXNINH-ZETCQYMHSA-N 0 0 182.223 1.193 10 0 ADAERN CC(C)[C@@H](C)Oc1cc(=O)[nH]cn1 232690409 1224235222 /nfs/dbraw/zinc/23/52/22/1224235222.db2.gz CWJZEENZCXNINH-SSDOTTSWSA-N 0 0 182.223 1.193 10 0 ADAERN CC(C)OC(=O)NCc1ccncn1 232686492 1224235508 /nfs/dbraw/zinc/23/55/08/1224235508.db2.gz QLZYFTAYFHLKBJ-UHFFFAOYSA-N 0 0 195.222 1.111 10 0 ADAERN CC(C)OC(=O)NCC1(C)CC1 232683984 1224235617 /nfs/dbraw/zinc/23/56/17/1224235617.db2.gz RVBNQKUELLFVJZ-UHFFFAOYSA-N 0 0 171.240 1.921 10 0 ADAERN Cc1nc(O[C@H](C)C(C)C)cc(=O)[nH]1 232691568 1224235628 /nfs/dbraw/zinc/23/56/28/1224235628.db2.gz QCWXHIMEKJZYBN-SSDOTTSWSA-N 0 0 196.250 1.914 10 0 ADAERN Cc1cc2c(c(C)c1N)N(C)CCO2 62521743 525590478 /nfs/dbraw/zinc/59/04/78/525590478.db2.gz OCTHYLJKLWKGBI-UHFFFAOYSA-N 0 0 192.262 1.714 10 0 ADAERN Cc1nc(O[C@@H](C)C(C)C)cc(=O)[nH]1 232730748 1224235923 /nfs/dbraw/zinc/23/59/23/1224235923.db2.gz QCWXHIMEKJZYBN-ZETCQYMHSA-N 0 0 196.250 1.914 10 0 ADAERN Nc1cnc2cc(F)ccc2n1 238577332 1224237073 /nfs/dbraw/zinc/23/70/73/1224237073.db2.gz OBHIBUJEZABTKP-UHFFFAOYSA-N 0 0 163.155 1.351 10 0 ADAERN Nc1cncc(-c2cn[nH]c2)c1 238582050 1224237265 /nfs/dbraw/zinc/23/72/65/1224237265.db2.gz AAQLWJBGRAHZCD-UHFFFAOYSA-N 0 0 160.180 1.054 10 0 ADAERN Nc1cncc(-c2ncc(F)cn2)c1 238582182 1224237403 /nfs/dbraw/zinc/23/74/03/1224237403.db2.gz XDCBJJDYRJXFDS-UHFFFAOYSA-N 0 0 190.181 1.260 10 0 ADAERN Clc1ncc(OC2CC2)cn1 238570062 1224237553 /nfs/dbraw/zinc/23/75/53/1224237553.db2.gz UNGNIJOYOROOQR-UHFFFAOYSA-N 0 0 170.599 1.671 10 0 ADAERN Nc1n[nH]c2cc(OC3CC3)ccc12 238586522 1224237623 /nfs/dbraw/zinc/23/76/23/1224237623.db2.gz GVXIHLHTKJSIDN-UHFFFAOYSA-N 0 0 189.218 1.686 10 0 ADAERN C[C@@H]1OCC[C@H]1NC(=O)c1ccco1 134596440 525592361 /nfs/dbraw/zinc/59/23/61/525592361.db2.gz FHNBTWWUIMHGJB-JGVFFNPUSA-N 0 0 195.218 1.187 10 0 ADAERN Cc1ccc(-c2ccnc(N)n2)nc1 238560327 1224237759 /nfs/dbraw/zinc/23/77/59/1224237759.db2.gz LSSOTSRQOFUHRS-UHFFFAOYSA-N 0 0 186.218 1.429 10 0 ADAERN Nc1ccc(-c2ccccc2N)nc1 238604633 1224237909 /nfs/dbraw/zinc/23/79/09/1224237909.db2.gz IAKMRVXZMZJZPN-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN Fc1ncccc1-c1cncnc1 238603588 1224238049 /nfs/dbraw/zinc/23/80/49/1224238049.db2.gz KBEUMQPFBHPVJJ-UHFFFAOYSA-N 0 0 175.166 1.678 10 0 ADAERN C=Cc1cccc(NC(N)=O)c1 238601496 1224238099 /nfs/dbraw/zinc/23/80/99/1224238099.db2.gz MDGYHUJEPOMIGE-UHFFFAOYSA-N 0 0 162.192 1.820 10 0 ADAERN Nc1cc(F)c2nc[nH]c2c1 238602217 1224238110 /nfs/dbraw/zinc/23/81/10/1224238110.db2.gz BUJDEWMQSUWNJZ-UHFFFAOYSA-N 0 0 151.144 1.284 10 0 ADAERN Cc1cc2c(cc1C)N(C)C(=O)CO2 62520863 525592845 /nfs/dbraw/zinc/59/28/45/525592845.db2.gz PECHWJSFXSUWRS-UHFFFAOYSA-N 0 0 191.230 1.659 10 0 ADAERN N#CNc1ccc(NC(N)=O)cc1 238601233 1224238197 /nfs/dbraw/zinc/23/81/97/1224238197.db2.gz QROCOTVHKPFYCK-UHFFFAOYSA-N 0 0 176.179 1.070 10 0 ADAERN C=Cc1ccccc1NC(N)=O 238601751 1224238254 /nfs/dbraw/zinc/23/82/54/1224238254.db2.gz FJUXEDMRKIMKHD-UHFFFAOYSA-N 0 0 162.192 1.820 10 0 ADAERN Nc1ccc(-c2ccncc2N)cc1 238605218 1224238280 /nfs/dbraw/zinc/23/82/80/1224238280.db2.gz WKEWPMOTPOXKCX-UHFFFAOYSA-N 0 0 185.230 1.913 10 0 ADAERN CCNC(=S)Nc1ccc[nH]c1=O 240737917 1224238582 /nfs/dbraw/zinc/23/85/82/1224238582.db2.gz APKXMKPXZAWWGE-UHFFFAOYSA-N 0 0 197.263 1.094 10 0 ADAERN CC[C@@H](C)COC(=O)NCCCO 240616255 1224238634 /nfs/dbraw/zinc/23/86/34/1224238634.db2.gz AAYRFIDJOMZVCH-MRVPVSSYSA-N 0 0 189.255 1.141 10 0 ADAERN CC[C@H](C)COC(=O)NCCCO 240616256 1224238688 /nfs/dbraw/zinc/23/86/88/1224238688.db2.gz AAYRFIDJOMZVCH-QMMMGPOBSA-N 0 0 189.255 1.141 10 0 ADAERN O=C(Nc1ccc[nH]c1=O)NC1CC1 240744642 1224238766 /nfs/dbraw/zinc/23/87/66/1224238766.db2.gz ARENMDHNQIKOLU-UHFFFAOYSA-N 0 0 193.206 1.071 10 0 ADAERN O=C(NCCCO)OC1CCCC1 242550890 1224238985 /nfs/dbraw/zinc/23/89/85/1224238985.db2.gz CBAUOGUGRKEFIZ-UHFFFAOYSA-N 0 0 187.239 1.038 10 0 ADAERN Cc1coc(CN2CCCC2)n1 257861383 1224242641 /nfs/dbraw/zinc/24/26/41/1224242641.db2.gz FSHQMIIMKNFIMC-UHFFFAOYSA-N 0 0 166.224 1.579 10 0 ADAERN O=C([O-])c1ccc(C[NH+]2CCC2)s1 257891749 1224242815 /nfs/dbraw/zinc/24/28/15/1224242815.db2.gz XFEQOEKKOWEUKG-UHFFFAOYSA-N 0 0 197.259 1.652 10 0 ADAERN CCCc1nnc(C2=COCC2)o1 306169857 1224244650 /nfs/dbraw/zinc/24/46/50/1224244650.db2.gz WYJDCLRRTKDKIL-UHFFFAOYSA-N 0 0 180.207 1.783 10 0 ADAERN CC[C@H](C)OC[C@H](C)CO 306183312 1224245540 /nfs/dbraw/zinc/24/55/40/1224245540.db2.gz ANOPSWKJWCENAX-SFYZADRCSA-N 0 0 146.230 1.430 10 0 ADAERN c1cc(CN2CCO[C@@H]3C[C@@H]32)co1 306184455 1224245657 /nfs/dbraw/zinc/24/56/57/1224245657.db2.gz PMCJMNSOHJCZHS-VHSXEESVSA-N 0 0 179.219 1.253 10 0 ADAERN c1cc(CN2CCO[C@H]3C[C@H]32)co1 306184456 1224246068 /nfs/dbraw/zinc/24/60/68/1224246068.db2.gz PMCJMNSOHJCZHS-ZJUUUORDSA-N 0 0 179.219 1.253 10 0 ADAERN CC[C@@H](C)OC[C@H](C)CO 306183310 1224246499 /nfs/dbraw/zinc/24/64/99/1224246499.db2.gz ANOPSWKJWCENAX-HTQZYQBOSA-N 0 0 146.230 1.430 10 0 ADAERN CCC1(c2nnc(C)o2)COC1 306191132 1224247372 /nfs/dbraw/zinc/24/73/72/1224247372.db2.gz QZFVOALXANTGKN-UHFFFAOYSA-N 0 0 168.196 1.056 10 0 ADAERN CCCNC(=S)N1CC(C)(C)C1 306195097 1224247446 /nfs/dbraw/zinc/24/74/46/1224247446.db2.gz HLANXRSIMNPXTM-UHFFFAOYSA-N 0 0 186.324 1.613 10 0 ADAERN CC[C@H](C)[C@@H](N)c1nnc(C)o1 306190493 1224247512 /nfs/dbraw/zinc/24/75/12/1224247512.db2.gz QGJPHRBVGYZZBQ-CAHLUQPWSA-N 0 0 169.228 1.424 10 0 ADAERN Cn1ccc(NC2CCCC2)cc1=O 306193154 1224247658 /nfs/dbraw/zinc/24/76/58/1224247658.db2.gz CRWLRABQGYSUQI-UHFFFAOYSA-N 0 0 192.262 1.740 10 0 ADAERN CCCOC(=O)Nc1nc(C)co1 306191249 1224247754 /nfs/dbraw/zinc/24/77/54/1224247754.db2.gz FXBLNXOLOXEZEG-UHFFFAOYSA-N 0 0 184.195 1.942 10 0 ADAERN CSCCn1ccc(C)cc1=O 162211773 525602637 /nfs/dbraw/zinc/60/26/37/525602637.db2.gz CWYMITMZZLSEAK-UHFFFAOYSA-N 0 0 183.276 1.520 10 0 ADAERN Cc1cc(N)ncc1-c1cn(C)cn1 306219999 1224248558 /nfs/dbraw/zinc/24/85/58/1224248558.db2.gz NSRHBKHEVACUMR-UHFFFAOYSA-N 0 0 188.234 1.373 10 0 ADAERN Cl/C=C(/Cl)Cn1ccnn1 306302578 1224252727 /nfs/dbraw/zinc/25/27/27/1224252727.db2.gz CCTKIQSXBXDMQO-HWKANZROSA-N 0 0 178.022 1.597 10 0 ADAERN C=CC(=O)N1CC[C@@H](C(F)(F)F)C1 306281089 1224250202 /nfs/dbraw/zinc/25/02/02/1224250202.db2.gz GVWYWGVCWFOQNS-ZCFIWIBFSA-N 0 0 193.168 1.583 10 0 ADAERN CC[C@@H](C)Nc1cn2ccnc2cn1 306280319 1224250262 /nfs/dbraw/zinc/25/02/62/1224250262.db2.gz TYOMIJINLKUOHG-MRVPVSSYSA-N 0 0 190.250 1.940 10 0 ADAERN CC(C)[C@@H](C)Oc1cnn(C)c1 306279774 1224250281 /nfs/dbraw/zinc/25/02/81/1224250281.db2.gz STEHFMAVCPKUNN-MRVPVSSYSA-N 0 0 168.240 1.843 10 0 ADAERN CC[C@H](C)Nc1cn2ccnc2cn1 306280321 1224250298 /nfs/dbraw/zinc/25/02/98/1224250298.db2.gz TYOMIJINLKUOHG-QMMMGPOBSA-N 0 0 190.250 1.940 10 0 ADAERN Cc1cc2c(cc1F)N(C)CCN2 82396517 525604718 /nfs/dbraw/zinc/60/47/18/525604718.db2.gz NBSFLIRNHASGTA-UHFFFAOYSA-N 0 0 180.226 1.996 10 0 ADAERN CCc1nnc(-c2csnn2)o1 306279043 1224250789 /nfs/dbraw/zinc/25/07/89/1224250789.db2.gz HBROTLQSWXKSNV-UHFFFAOYSA-N 0 0 182.208 1.151 10 0 ADAERN CC1(c2nnc(C3CC3)o2)COC1 306279095 1224250939 /nfs/dbraw/zinc/25/09/39/1224250939.db2.gz XZOPQZXZLQWDSP-UHFFFAOYSA-N 0 0 180.207 1.235 10 0 ADAERN C[C@@H]1Oc2c(F)cccc2N(C)C1=O 62521988 525605223 /nfs/dbraw/zinc/60/52/23/525605223.db2.gz JQJGLLSKBNPZKZ-LURJTMIESA-N 0 0 195.193 1.569 10 0 ADAERN C=CC(=O)N1CC[C@H](C(F)(F)F)C1 306281088 1224251252 /nfs/dbraw/zinc/25/12/52/1224251252.db2.gz GVWYWGVCWFOQNS-LURJTMIESA-N 0 0 193.168 1.583 10 0 ADAERN C/C=C/C=C/C(=O)N[C@@H]1CCC[C@@H]1O 306282847 1224251531 /nfs/dbraw/zinc/25/15/31/1224251531.db2.gz ABGYNVHZTOKJQH-POXCOJJWSA-N 0 0 195.262 1.148 10 0 ADAERN CC(C)[C@H](C)Oc1cnn(C)c1 306279776 1224251539 /nfs/dbraw/zinc/25/15/39/1224251539.db2.gz STEHFMAVCPKUNN-QMMMGPOBSA-N 0 0 168.240 1.843 10 0 ADAERN CCCc1nnc(C(F)F)o1 306291929 1224252236 /nfs/dbraw/zinc/25/22/36/1224252236.db2.gz ROIMXAIUMNKMSY-UHFFFAOYSA-N 0 0 162.139 1.960 10 0 ADAERN COc1ccncc1CN1CCC1 306291108 1224252248 /nfs/dbraw/zinc/25/22/48/1224252248.db2.gz SCOACLLXHSMDRO-UHFFFAOYSA-N 0 0 178.235 1.296 10 0 ADAERN Cc1nnc(CCn2cccc2)o1 306303279 1224252645 /nfs/dbraw/zinc/25/26/45/1224252645.db2.gz HMOJYAAVCLSKRT-UHFFFAOYSA-N 0 0 177.207 1.422 10 0 ADAERN CC[C@@H](C)Nc1ncncc1OC 306302596 1224252691 /nfs/dbraw/zinc/25/26/91/1224252691.db2.gz CDPBHHVNVWKMJN-SSDOTTSWSA-N 0 0 181.239 1.696 10 0 ADAERN Cc1nnc([C@H]2CCCS2)o1 306305232 1224252796 /nfs/dbraw/zinc/25/27/96/1224252796.db2.gz OWJZIQOCFHOXPW-ZCFIWIBFSA-N 0 0 170.237 1.946 10 0 ADAERN CC[C@H](C)Nc1ncncc1OC 306302598 1224252973 /nfs/dbraw/zinc/25/29/73/1224252973.db2.gz CDPBHHVNVWKMJN-ZETCQYMHSA-N 0 0 181.239 1.696 10 0 ADAERN Cc1nnc([C@@H]2CCCS2)o1 306305231 1224253001 /nfs/dbraw/zinc/25/30/01/1224253001.db2.gz OWJZIQOCFHOXPW-LURJTMIESA-N 0 0 170.237 1.946 10 0 ADAERN CCC(=O)N1CCOCC[C@H]1C 306302655 1224253233 /nfs/dbraw/zinc/25/32/33/1224253233.db2.gz CGLMUWSDRRHZAF-MRVPVSSYSA-N 0 0 171.240 1.034 10 0 ADAERN CCC(=O)N1CCOCC[C@@H]1C 306302660 1224253373 /nfs/dbraw/zinc/25/33/73/1224253373.db2.gz CGLMUWSDRRHZAF-QMMMGPOBSA-N 0 0 171.240 1.034 10 0 ADAERN Cc1nnc(-c2cnco2)o1 306315252 1224253716 /nfs/dbraw/zinc/25/37/16/1224253716.db2.gz GRUNEOMNSNXSNM-UHFFFAOYSA-N 0 0 151.125 1.033 10 0 ADAERN CN(C)c1nccc2occc12 306314028 1224253743 /nfs/dbraw/zinc/25/37/43/1224253743.db2.gz YKCFIXWMMBKYFL-UHFFFAOYSA-N 0 0 162.192 1.894 10 0 ADAERN CCc1nnc(CC2CCC2)o1 306315248 1224253756 /nfs/dbraw/zinc/25/37/56/1224253756.db2.gz GRLYLLRHPVLWMH-UHFFFAOYSA-N 0 0 166.224 1.975 10 0 ADAERN CN(Cc1cnoc1)C1CC1 306314937 1224253856 /nfs/dbraw/zinc/25/38/56/1224253856.db2.gz PEQXEFIIRDRGLL-UHFFFAOYSA-N 0 0 152.197 1.269 10 0 ADAERN CCC[C@H](C)Nc1ccn(C)c(=O)c1 306324417 1224254672 /nfs/dbraw/zinc/25/46/72/1224254672.db2.gz VZHZNMZOLDKCEI-VIFPVBQESA-N 0 0 194.278 1.986 10 0 ADAERN CCC[C@@H](C)Nc1ccn(C)c(=O)c1 306324409 1224254774 /nfs/dbraw/zinc/25/47/74/1224254774.db2.gz VZHZNMZOLDKCEI-SECBINFHSA-N 0 0 194.278 1.986 10 0 ADAERN c1ccc(CN2CCCCO2)nc1 306329785 1224255136 /nfs/dbraw/zinc/25/51/36/1224255136.db2.gz PCPVCLXNGPIEMO-UHFFFAOYSA-N 0 0 178.235 1.609 10 0 ADAERN C[C@@H]1Oc2ccc(F)cc2N(C)C1=O 62521983 525609271 /nfs/dbraw/zinc/60/92/71/525609271.db2.gz HFEQVMUVKTZODS-LURJTMIESA-N 0 0 195.193 1.569 10 0 ADAERN Cc1nnc(-c2ccn(C)c2)o1 306341181 1224255593 /nfs/dbraw/zinc/25/55/93/1224255593.db2.gz XGPXYQGHXPAOOB-UHFFFAOYSA-N 0 0 163.180 1.384 10 0 ADAERN CC[C@@H]1C[C@H]1NC(=O)c1occc1N 306405994 1224257321 /nfs/dbraw/zinc/25/73/21/1224257321.db2.gz CBILRLMPQRIHAB-HTRCEHHLSA-N 0 0 194.234 1.390 10 0 ADAERN C[C@@H]1Oc2cccc(N)c2N(C)C1=O 74409092 525612243 /nfs/dbraw/zinc/61/22/43/525612243.db2.gz RSWAVFMJLRZEQF-LURJTMIESA-N 0 0 192.218 1.013 10 0 ADAERN Cc1nn(C)c(Cl)c1CN1CCC1 306433644 1224258487 /nfs/dbraw/zinc/25/84/87/1224258487.db2.gz XLMUCVZFIRBBQF-UHFFFAOYSA-N 0 0 199.685 1.588 10 0 ADAERN CCn1nccc1NC(=O)OC 306426508 1224258540 /nfs/dbraw/zinc/25/85/40/1224258540.db2.gz KFBHCBVEMKKKJR-UHFFFAOYSA-N 0 0 169.184 1.081 10 0 ADAERN Cc1cccnc1CN1CC(F)C1 306441247 1224259969 /nfs/dbraw/zinc/25/99/69/1224259969.db2.gz IXLUWAXOYYKBQI-UHFFFAOYSA-N 0 0 180.226 1.544 10 0 ADAERN c1cc(OC2CCOCC2)ccn1 306448962 1224260729 /nfs/dbraw/zinc/26/07/29/1224260729.db2.gz KQWNAEPINCDCNZ-UHFFFAOYSA-N 0 0 179.219 1.639 10 0 ADAERN c1nc(CN2CCC2)cs1 306463654 1224261149 /nfs/dbraw/zinc/26/11/49/1224261149.db2.gz BLRZMCZISJYHJO-UHFFFAOYSA-N 0 0 154.238 1.349 10 0 ADAERN O=C(N[C@@H]1C[C@@H]1C1CC1)C(F)F 306477288 1224261581 /nfs/dbraw/zinc/26/15/81/1224261581.db2.gz KNPKQUCUCUMUCT-PHDIDXHHSA-N 0 0 175.178 1.166 10 0 ADAERN O=C(N[C@H]1C[C@H]1C1CC1)C(F)F 306477291 1224261656 /nfs/dbraw/zinc/26/16/56/1224261656.db2.gz KNPKQUCUCUMUCT-WDSKDSINSA-N 0 0 175.178 1.166 10 0 ADAERN O=C(N[C@H]1C[C@@H]1C1CC1)C(F)F 306477290 1224261743 /nfs/dbraw/zinc/26/17/43/1224261743.db2.gz KNPKQUCUCUMUCT-RITPCOANSA-N 0 0 175.178 1.166 10 0 ADAERN C/C=C/C(=O)N1CC2CCC1CC2 306475429 1224261752 /nfs/dbraw/zinc/26/17/52/1224261752.db2.gz HMITZDAIIBDIDJ-NSCUHMNNSA-N 0 0 179.263 1.964 10 0 ADAERN CN(CC1CC1)c1ncc(O)cn1 306488123 1224262331 /nfs/dbraw/zinc/26/23/31/1224262331.db2.gz KKWXJFHLMJKWQE-UHFFFAOYSA-N 0 0 179.223 1.028 10 0 ADAERN Cc1noc(C)c1CN1CCCO1 306526894 1224263623 /nfs/dbraw/zinc/26/36/23/1224263623.db2.gz VYSQKDQKAICMIB-UHFFFAOYSA-N 0 0 182.223 1.429 10 0 ADAERN CC(C)n1cc(NCC(C)(C)O)cn1 306521333 1224264109 /nfs/dbraw/zinc/26/41/09/1224264109.db2.gz KTPYIVXMAIZCOX-UHFFFAOYSA-N 0 0 197.282 1.647 10 0 ADAERN COC(C)(C)CNc1cncnc1 306530427 1224264969 /nfs/dbraw/zinc/26/49/69/1224264969.db2.gz DLINETXRTZPUPF-UHFFFAOYSA-N 0 0 181.239 1.314 10 0 ADAERN C/C=C/C(=O)Nc1ncc(C)o1 306529019 1224265049 /nfs/dbraw/zinc/26/50/49/1224265049.db2.gz HOCMYHUZCJQGFT-ONEGZZNKSA-N 0 0 166.180 1.498 10 0 ADAERN COc1cnc(NCC(C)(C)C)cn1 306539510 1224265863 /nfs/dbraw/zinc/26/58/63/1224265863.db2.gz QLNHDZNVBMAPRS-UHFFFAOYSA-N 0 0 195.266 1.943 10 0 ADAERN CCCOC(=O)Nc1ccnn1C 306636115 1224268814 /nfs/dbraw/zinc/26/88/14/1224268814.db2.gz ATFVLSHBZJMORQ-UHFFFAOYSA-N 0 0 183.211 1.379 10 0 ADAERN Cc1nc(CN(C)C)sc1C 306585852 1224267611 /nfs/dbraw/zinc/26/76/11/1224267611.db2.gz IHOAUYHMQCBAHZ-UHFFFAOYSA-N 0 0 170.281 1.822 10 0 ADAERN COC(=O)Cc1ccnc(F)c1C 306595359 1224267806 /nfs/dbraw/zinc/26/78/06/1224267806.db2.gz KRQHZSJOUXTARL-UHFFFAOYSA-N 0 0 183.182 1.245 10 0 ADAERN CN(C)c1cnc2c(n1)CCCC2 306592774 1224267840 /nfs/dbraw/zinc/26/78/40/1224267840.db2.gz DFIVWTCZZGHQDP-UHFFFAOYSA-N 0 0 177.251 1.421 10 0 ADAERN CC(=O)c1ccccc1NC[C@H](C)O 306615393 1224268295 /nfs/dbraw/zinc/26/82/95/1224268295.db2.gz NMTLMHVPPSOGLC-QMMMGPOBSA-N 0 0 193.246 1.682 10 0 ADAERN COC1CCC(N2CC(F)C2)CC1 306638004 1224269104 /nfs/dbraw/zinc/26/91/04/1224269104.db2.gz BZERRGJPDUSRGV-UHFFFAOYSA-N 0 0 187.258 1.598 10 0 ADAERN COCCc1cc(C)nc(C)c1 306639499 1224269790 /nfs/dbraw/zinc/26/97/90/1224269790.db2.gz HXOXYHLJEZAMQZ-UHFFFAOYSA-N 0 0 165.236 1.887 10 0 ADAERN CC(=O)c1cccnc1NC[C@H](C)O 306660734 1224271090 /nfs/dbraw/zinc/27/10/90/1224271090.db2.gz NEEPBCUWYFWLKK-ZETCQYMHSA-N 0 0 194.234 1.077 10 0 ADAERN C[C@@H](c1nnc(C2CC2)o1)N(C)C 306658225 1224271175 /nfs/dbraw/zinc/27/11/75/1224271175.db2.gz IPCKLLWBWQUDDV-LURJTMIESA-N 0 0 181.239 1.570 10 0 ADAERN COc1ccnc(-c2cnoc2)c1 306762163 1224272410 /nfs/dbraw/zinc/27/24/10/1224272410.db2.gz SUAKTELFRNZWHZ-UHFFFAOYSA-N 0 0 176.175 1.745 10 0 ADAERN Cc1nnc(-c2c(O)cccc2O)o1 306760295 1224272686 /nfs/dbraw/zinc/27/26/86/1224272686.db2.gz ABGYQULTKXGSLJ-UHFFFAOYSA-N 0 0 192.174 1.456 10 0 ADAERN COC(C)(C)Cc1cccnc1N 306807316 1224273270 /nfs/dbraw/zinc/27/32/70/1224273270.db2.gz LYIHSNPUCKMYHV-UHFFFAOYSA-N 0 0 180.251 1.631 10 0 ADAERN COC(=O)N1CCC2(CC2)C1 306805175 1224273400 /nfs/dbraw/zinc/27/34/00/1224273400.db2.gz ZRKBOUVFRXABOW-UHFFFAOYSA-N 0 0 155.197 1.239 10 0 ADAERN OCC(F)(F)c1ccc(F)cn1 306814572 1224273747 /nfs/dbraw/zinc/27/37/47/1224273747.db2.gz BNABAIMEIWVYFD-UHFFFAOYSA-N 0 0 177.125 1.305 10 0 ADAERN S=C(NCc1ccco1)N1CCC1 306928326 1224274051 /nfs/dbraw/zinc/27/40/51/1224274051.db2.gz XVJYLTFZBDOCNB-UHFFFAOYSA-N 0 0 196.275 1.360 10 0 ADAERN CO[C@@H](C)CNc1cccnc1C 306937680 1224274393 /nfs/dbraw/zinc/27/43/93/1224274393.db2.gz IXNGTNMZMGDOKL-QMMMGPOBSA-N 0 0 180.251 1.837 10 0 ADAERN Cc1cc2c3c(c1)NCCN3CCN2 82390814 525628676 /nfs/dbraw/zinc/62/86/76/525628676.db2.gz BQFPZXCYYYIDFD-UHFFFAOYSA-N 0 0 189.262 1.652 10 0 ADAERN C/C=C(/C)c1nnc(CN(C)C)o1 306938504 1224274525 /nfs/dbraw/zinc/27/45/25/1224274525.db2.gz GNEKDDVLHQNMGX-ALCCZGGFSA-N 0 0 181.239 1.554 10 0 ADAERN CSc1cnc(N(C)C)nc1 307069081 1224275053 /nfs/dbraw/zinc/27/50/53/1224275053.db2.gz ZCOFYXSASAHVQR-UHFFFAOYSA-N 0 0 169.253 1.265 10 0 ADAERN Cc1c(C(=O)N(C)C)ccn1C 307067756 1224275484 /nfs/dbraw/zinc/27/54/84/1224275484.db2.gz LKLRBTAAOYMNFK-UHFFFAOYSA-N 0 0 166.224 1.035 10 0 ADAERN C=Cc1cc(C(=O)OC)cc(C)n1 307113640 1224275795 /nfs/dbraw/zinc/27/57/95/1224275795.db2.gz RIKFOGWQWDDVNP-UHFFFAOYSA-N 0 0 177.203 1.820 10 0 ADAERN O=C1CCN(C[C@H]2CCC=CO2)CC1 307108789 1224275867 /nfs/dbraw/zinc/27/58/67/1224275867.db2.gz KAZYDCGSJSBMID-LLVKDONJSA-N 0 0 195.262 1.344 10 0 ADAERN O=C1CCN(C[C@@H]2CCC=CO2)CC1 307108790 1224275908 /nfs/dbraw/zinc/27/59/08/1224275908.db2.gz KAZYDCGSJSBMID-NSHDSACASA-N 0 0 195.262 1.344 10 0 ADAERN CC(C)OC(=O)NCCF 307111526 1224276303 /nfs/dbraw/zinc/27/63/03/1224276303.db2.gz LJPUQDHVDGBFBC-UHFFFAOYSA-N 0 0 149.165 1.091 10 0 ADAERN COc1ccoc1CN(C)C 307115504 1224276400 /nfs/dbraw/zinc/27/64/00/1224276400.db2.gz WFTAHEAOZRGISU-UHFFFAOYSA-N 0 0 155.197 1.350 10 0 ADAERN FC1(F)CCN(C2CCOCC2)C1 307108561 1224276590 /nfs/dbraw/zinc/27/65/90/1224276590.db2.gz GKGBMWNAZUDYRA-UHFFFAOYSA-N 0 0 191.221 1.506 10 0 ADAERN c1coc(CN2CCCCO2)c1 307114124 1224276648 /nfs/dbraw/zinc/27/66/48/1224276648.db2.gz NAGJKDHJFXBBKK-UHFFFAOYSA-N 0 0 167.208 1.807 10 0 ADAERN c1nc(CN2CCCCO2)cs1 307122421 1224277379 /nfs/dbraw/zinc/27/73/79/1224277379.db2.gz VYMPPDXHLWCDFT-UHFFFAOYSA-N 0 0 184.264 1.671 10 0 ADAERN COC(=O)N1CCCC12CCC2 307149498 1224278096 /nfs/dbraw/zinc/27/80/96/1224278096.db2.gz RJGXXQQJHMMCHV-UHFFFAOYSA-N 0 0 169.224 1.771 10 0 ADAERN COc1ccc(CN2CCC2)nc1 307149696 1224278103 /nfs/dbraw/zinc/27/81/03/1224278103.db2.gz RSDQYEWVYOPEIY-UHFFFAOYSA-N 0 0 178.235 1.296 10 0 ADAERN CC(C)OC(=O)C1=COCCC1 307146836 1224278230 /nfs/dbraw/zinc/27/82/30/1224278230.db2.gz NRWNIZXYLZSHRI-UHFFFAOYSA-N 0 0 170.208 1.632 10 0 ADAERN COCc1nnc([C@H]2C[C@@H]2C)o1 307150417 1224278665 /nfs/dbraw/zinc/27/86/65/1224278665.db2.gz TXVAHWCLHKUDRS-WDSKDSINSA-N 0 0 168.196 1.339 10 0 ADAERN COCc1nnc([C@@H]2C[C@@H]2C)o1 307150414 1224278771 /nfs/dbraw/zinc/27/87/71/1224278771.db2.gz TXVAHWCLHKUDRS-NTSWFWBYSA-N 0 0 168.196 1.339 10 0 ADAERN COCc1nnc([C@H]2C[C@H]2C)o1 307150416 1224278843 /nfs/dbraw/zinc/27/88/43/1224278843.db2.gz TXVAHWCLHKUDRS-RITPCOANSA-N 0 0 168.196 1.339 10 0 ADAERN COCc1nnc([C@@H]2C[C@H]2C)o1 307150415 1224279013 /nfs/dbraw/zinc/27/90/13/1224279013.db2.gz TXVAHWCLHKUDRS-PHDIDXHHSA-N 0 0 168.196 1.339 10 0 ADAERN CC[S@](=O)Cc1cnc(C)nc1 307179309 1224279287 /nfs/dbraw/zinc/27/92/87/1224279287.db2.gz IHXVOGBQCSMWJT-LBPRGKRZSA-N 0 0 184.264 1.054 10 0 ADAERN CC(C)(NC(=O)[C@H]1CCO1)C1CC1 307179317 1224279412 /nfs/dbraw/zinc/27/94/12/1224279412.db2.gz IJAJMUKFIFLNCJ-MRVPVSSYSA-N 0 0 183.251 1.080 10 0 ADAERN CC[S@@](=O)Cc1cnc(C)nc1 307179308 1224279976 /nfs/dbraw/zinc/27/99/76/1224279976.db2.gz IHXVOGBQCSMWJT-GFCCVEGCSA-N 0 0 184.264 1.054 10 0 ADAERN CC(C)(NC(=O)[C@@H]1CCO1)C1CC1 307179318 1224280072 /nfs/dbraw/zinc/28/00/72/1224280072.db2.gz IJAJMUKFIFLNCJ-QMMMGPOBSA-N 0 0 183.251 1.080 10 0 ADAERN O=C(Nc1ccc(=O)[nH]c1)NC1CC1 307270302 1224280951 /nfs/dbraw/zinc/28/09/51/1224280951.db2.gz PISLGXUFUBJXRD-UHFFFAOYSA-N 0 0 193.206 1.071 10 0 ADAERN CN(C)c1ccc2[nH]c(CO)nc2c1 307271651 1224281014 /nfs/dbraw/zinc/28/10/14/1224281014.db2.gz RRZRRFIKUXBFSH-UHFFFAOYSA-N 0 0 191.234 1.121 10 0 ADAERN Cc1nnc(-c2cc[nH]c(=O)c2)o1 307268761 1224281107 /nfs/dbraw/zinc/28/11/07/1224281107.db2.gz MGAFFUYAXNAINK-UHFFFAOYSA-N 0 0 177.163 1.146 10 0 ADAERN C=CS(=O)(=O)N1CCCC[C@H]1C 307302165 1224281707 /nfs/dbraw/zinc/28/17/07/1224281707.db2.gz MURUNQFPYYMYNX-MRVPVSSYSA-N 0 0 189.280 1.334 10 0 ADAERN C=CS(=O)(=O)N1CCCC[C@@H]1C 307302166 1224281904 /nfs/dbraw/zinc/28/19/04/1224281904.db2.gz MURUNQFPYYMYNX-QMMMGPOBSA-N 0 0 189.280 1.334 10 0 ADAERN CN(C)C(=O)c1ccn2ccccc12 307307285 1224281981 /nfs/dbraw/zinc/28/19/81/1224281981.db2.gz LZDQWRXPIRBRLB-UHFFFAOYSA-N 0 0 188.230 1.641 10 0 ADAERN FC1CN([C@H]2CCCSC2)C1 307347352 1224283268 /nfs/dbraw/zinc/28/32/68/1224283268.db2.gz MXFGQSRJFWUTFQ-QMMMGPOBSA-N 0 0 175.272 1.536 10 0 ADAERN FC1CN([C@@H]2CCCSC2)C1 307347350 1224283352 /nfs/dbraw/zinc/28/33/52/1224283352.db2.gz MXFGQSRJFWUTFQ-MRVPVSSYSA-N 0 0 175.272 1.536 10 0 ADAERN COc1cncnc1NC1(C)CCC1 307348682 1224283396 /nfs/dbraw/zinc/28/33/96/1224283396.db2.gz OBGQDLVBMPATQJ-UHFFFAOYSA-N 0 0 193.250 1.840 10 0 ADAERN CSc1cncc(N(C)C)n1 307349765 1224283642 /nfs/dbraw/zinc/28/36/42/1224283642.db2.gz ADUMDYZLCRJFLU-UHFFFAOYSA-N 0 0 169.253 1.265 10 0 ADAERN CCn1cc(CN2CCCO2)cn1 307462328 1224283997 /nfs/dbraw/zinc/28/39/97/1224283997.db2.gz BPQQAQOVNZLXMJ-UHFFFAOYSA-N 0 0 181.239 1.040 10 0 ADAERN C=Cc1cc(OC)ncn1 307460073 1224284142 /nfs/dbraw/zinc/28/41/42/1224284142.db2.gz DWJMVROFHQSCLQ-UHFFFAOYSA-N 0 0 136.154 1.128 10 0 ADAERN Cn1cnc(-c2cc(F)ccc2O)c1 307454939 1224284160 /nfs/dbraw/zinc/28/41/60/1224284160.db2.gz ZJOSXJGHFCFZLP-UHFFFAOYSA-N 0 0 192.193 1.932 10 0 ADAERN Cc1nc(CN2CCCO2)cs1 307460632 1224284375 /nfs/dbraw/zinc/28/43/75/1224284375.db2.gz FSJLWUUHUFXALS-UHFFFAOYSA-N 0 0 184.264 1.589 10 0 ADAERN FC1CN(CC2CCCC2)C1 307459626 1224284446 /nfs/dbraw/zinc/28/44/46/1224284446.db2.gz AUUNFZRVJGCOAS-UHFFFAOYSA-N 0 0 157.232 1.830 10 0 ADAERN CC(C)=Cc1nnc(C)o1 307464599 1224284470 /nfs/dbraw/zinc/28/44/70/1224284470.db2.gz HCMVDGXWUGODRP-UHFFFAOYSA-N 0 0 138.170 1.801 10 0 ADAERN C[C@@H](NC(=O)NC1(C)CC1)C1CC1 307513560 1224285586 /nfs/dbraw/zinc/28/55/86/1224285586.db2.gz NTVMTUPEXGQYSW-SSDOTTSWSA-N 0 0 182.267 1.637 10 0 ADAERN Cc1nnc([C@@H]2C[C@@H]2C)o1 307516940 1224285787 /nfs/dbraw/zinc/28/57/87/1224285787.db2.gz IDYJDZPDTKZXDG-UJURSFKZSA-N 0 0 138.170 1.501 10 0 ADAERN C[C@H](NC(=O)NC1(C)CC1)C1CC1 307513561 1224285850 /nfs/dbraw/zinc/28/58/50/1224285850.db2.gz NTVMTUPEXGQYSW-ZETCQYMHSA-N 0 0 182.267 1.637 10 0 ADAERN C[C@H]1CCN1C(=S)NCC1CCC1 307513374 1224285912 /nfs/dbraw/zinc/28/59/12/1224285912.db2.gz FPSHSTWAISAFEB-QMMMGPOBSA-N 0 0 198.335 1.755 10 0 ADAERN Cc1nnc([C@H]2C[C@@H]2C)o1 307516938 1224285978 /nfs/dbraw/zinc/28/59/78/1224285978.db2.gz IDYJDZPDTKZXDG-NJGYIYPDSA-N 0 0 138.170 1.501 10 0 ADAERN c1cncc(CN2CCCCO2)c1 307510615 1224285990 /nfs/dbraw/zinc/28/59/90/1224285990.db2.gz KRVOHMUGHXGATJ-UHFFFAOYSA-N 0 0 178.235 1.609 10 0 ADAERN Cc1ncc(CN(C)C2COC2)s1 307512601 1224286040 /nfs/dbraw/zinc/28/60/40/1224286040.db2.gz MSTYSTNTATVLBC-UHFFFAOYSA-N 0 0 198.291 1.282 10 0 ADAERN Cc1nnc([C@@H]2C[C@H]2C)o1 307516936 1224286130 /nfs/dbraw/zinc/28/61/30/1224286130.db2.gz IDYJDZPDTKZXDG-INEUFUBQSA-N 0 0 138.170 1.501 10 0 ADAERN Cc1nnc([C@H]2C[C@H]2C)o1 307516941 1224286140 /nfs/dbraw/zinc/28/61/40/1224286140.db2.gz IDYJDZPDTKZXDG-XINAWCOVSA-N 0 0 138.170 1.501 10 0 ADAERN C[C@@H]1CCN1C(=S)NCC1CCC1 307513370 1224286272 /nfs/dbraw/zinc/28/62/72/1224286272.db2.gz FPSHSTWAISAFEB-MRVPVSSYSA-N 0 0 198.335 1.755 10 0 ADAERN CC[C@H](C)N1CC(F)(F)C[C@H]1CO 307521853 1224286770 /nfs/dbraw/zinc/28/67/70/1224286770.db2.gz WSNGGULHNFWGAE-YUMQZZPRSA-N 0 0 193.237 1.487 10 0 ADAERN OC1CCC(OCc2ncc[nH]2)CC1 307517679 1224286888 /nfs/dbraw/zinc/28/68/88/1224286888.db2.gz XOEKZPKLNKJMMV-UHFFFAOYSA-N 0 0 196.250 1.230 10 0 ADAERN CC[C@@H](C)N1CC(F)(F)C[C@H]1CO 307521852 1224286961 /nfs/dbraw/zinc/28/69/61/1224286961.db2.gz WSNGGULHNFWGAE-SFYZADRCSA-N 0 0 193.237 1.487 10 0 ADAERN CCNC(=O)N[C@H](C)c1ccoc1 307554640 1224287521 /nfs/dbraw/zinc/28/75/21/1224287521.db2.gz SMQXSFOUAUJLFP-SSDOTTSWSA-N 0 0 182.223 1.660 10 0 ADAERN O=C1CCN(Cc2ccc(O)cc2)C1 307556370 1224287546 /nfs/dbraw/zinc/28/75/46/1224287546.db2.gz JMZBNGCBUTZEBE-UHFFFAOYSA-N 0 0 191.230 1.167 10 0 ADAERN COC(=O)Cc1cnc(F)c(C)c1 307560943 1224287532 /nfs/dbraw/zinc/28/75/32/1224287532.db2.gz RNYYAMBHYWPYSR-UHFFFAOYSA-N 0 0 183.182 1.245 10 0 ADAERN CCNC(=O)N[C@@H](C)c1ccoc1 307554649 1224287782 /nfs/dbraw/zinc/28/77/82/1224287782.db2.gz SMQXSFOUAUJLFP-ZETCQYMHSA-N 0 0 182.223 1.660 10 0 ADAERN COC(=O)NC/C=C/C1CC1 307561017 1224287892 /nfs/dbraw/zinc/28/78/92/1224287892.db2.gz AAOMMPRFEXHRCM-NSCUHMNNSA-N 0 0 155.197 1.309 10 0 ADAERN CCC(CC)OCCCO 307554116 1224287914 /nfs/dbraw/zinc/28/79/14/1224287914.db2.gz RYWGHAPBMDUTMW-UHFFFAOYSA-N 0 0 146.230 1.574 10 0 ADAERN CCc1nnc(C(C)(C)OC)o1 307561890 1224288089 /nfs/dbraw/zinc/28/80/89/1224288089.db2.gz ZFBGTUNKONJWQF-UHFFFAOYSA-N 0 0 170.212 1.514 10 0 ADAERN Fc1cncc(CN2CCC2)c1 307611612 1224288613 /nfs/dbraw/zinc/28/86/13/1224288613.db2.gz GYICWHSWHWXSFU-UHFFFAOYSA-N 0 0 166.199 1.426 10 0 ADAERN NC(=O)Cc1ccc(C(F)F)cc1 307614728 1224288940 /nfs/dbraw/zinc/28/89/40/1224288940.db2.gz LPBFSBGMQRJNTR-UHFFFAOYSA-N 0 0 185.173 1.652 10 0 ADAERN c1cc(O[C@H]2CCOC2)ccn1 307616070 1224289213 /nfs/dbraw/zinc/28/92/13/1224289213.db2.gz PIOIARJEBSBMHN-VIFPVBQESA-N 0 0 165.192 1.249 10 0 ADAERN c1cc(O[C@@H]2CCOC2)ccn1 307616069 1224289266 /nfs/dbraw/zinc/28/92/66/1224289266.db2.gz PIOIARJEBSBMHN-SECBINFHSA-N 0 0 165.192 1.249 10 0 ADAERN Cc1ccc(CN2CCC(=O)C2)nc1 307680761 1224290105 /nfs/dbraw/zinc/29/01/05/1224290105.db2.gz VIEQHCVYAPFAOL-UHFFFAOYSA-N 0 0 190.246 1.165 10 0 ADAERN Cc1nnc(C2CC(C)C2)o1 307684216 1224290445 /nfs/dbraw/zinc/29/04/45/1224290445.db2.gz VLWQBFIYQQBPEX-UHFFFAOYSA-N 0 0 152.197 1.892 10 0 ADAERN COC(=O)Nc1ccnc(SC)c1 307708866 1224290773 /nfs/dbraw/zinc/29/07/73/1224290773.db2.gz KMNGSHPPHWEPGL-UHFFFAOYSA-N 0 0 198.247 1.982 10 0 ADAERN Cc1nnc(-c2ccncc2F)o1 307757856 1224291644 /nfs/dbraw/zinc/29/16/44/1224291644.db2.gz MQXHEEWSNSTJLZ-UHFFFAOYSA-N 0 0 179.154 1.579 10 0 ADAERN C/C=C(\C)c1nnc(C)o1 307787215 1224292046 /nfs/dbraw/zinc/29/20/46/1224292046.db2.gz OFQHEGVQJWPJFI-SNAWJCMRSA-N 0 0 138.170 1.801 10 0 ADAERN CCN(OC)C(=O)CC1CC1 307854019 1224292434 /nfs/dbraw/zinc/29/24/34/1224292434.db2.gz BRJDSRXDHITEEN-UHFFFAOYSA-N 0 0 157.213 1.196 10 0 ADAERN CCN(OC)C(=O)C1(C)CCCC1 308208451 1224296843 /nfs/dbraw/zinc/29/68/43/1224296843.db2.gz DWCQDRVAVXFKKS-UHFFFAOYSA-N 0 0 185.267 1.977 10 0 ADAERN C=CS(=O)(=O)N(C)CCCC 307853867 1224292604 /nfs/dbraw/zinc/29/26/04/1224292604.db2.gz CAQFDCAXVWWIDH-UHFFFAOYSA-N 0 0 177.269 1.192 10 0 ADAERN C=CS(=O)(=O)N(CC)CCC 307876757 1224292630 /nfs/dbraw/zinc/29/26/30/1224292630.db2.gz NKVCGAHCYJQJST-UHFFFAOYSA-N 0 0 177.269 1.192 10 0 ADAERN CC[C@@H](C)C(=O)N(CC)OC 307853965 1224292669 /nfs/dbraw/zinc/29/26/69/1224292669.db2.gz BNTPXRUPIFSFSM-SSDOTTSWSA-N 0 0 159.229 1.442 10 0 ADAERN C/C=C(\C)C(=O)NC1(C)CC1 307861069 1224292679 /nfs/dbraw/zinc/29/26/79/1224292679.db2.gz GWEHXPIXXRSENA-QPJJXVBHSA-N 0 0 153.225 1.621 10 0 ADAERN CC[C@H](C)C(=O)N(CC)OC 307853966 1224292739 /nfs/dbraw/zinc/29/27/39/1224292739.db2.gz BNTPXRUPIFSFSM-ZETCQYMHSA-N 0 0 159.229 1.442 10 0 ADAERN CCCc1nnc([C@@H](C)OC)o1 308019587 1224293290 /nfs/dbraw/zinc/29/32/90/1224293290.db2.gz SSYLKJYXWQWVGH-ZCFIWIBFSA-N 0 0 170.212 1.730 10 0 ADAERN CCc1nnc([C@@H](CC)OC)o1 308015772 1224293300 /nfs/dbraw/zinc/29/33/00/1224293300.db2.gz HEAGXMSNYHMRIK-ZCFIWIBFSA-N 0 0 170.212 1.730 10 0 ADAERN C/C=C/C=C\C(=O)N(CC)OC 308014775 1224293385 /nfs/dbraw/zinc/29/33/85/1224293385.db2.gz 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/nfs/dbraw/zinc/34/92/38/1224349238.db2.gz BUZPKVCECNWILU-ZETCQYMHSA-N 0 0 191.246 1.012 10 0 ADAERN COC(=O)Nc1cccc2c1CCO2 606266792 1224348575 /nfs/dbraw/zinc/34/85/75/1224348575.db2.gz CBFNAGOEERZJLK-UHFFFAOYSA-N 0 0 193.202 1.800 10 0 ADAERN O=C(c1ccco1)N1CC[C@@H](F)C1 606256927 1224346477 /nfs/dbraw/zinc/34/64/77/1224346477.db2.gz DSNZBDBISMMQBY-SSDOTTSWSA-N 0 0 183.182 1.464 10 0 ADAERN O=C(NCC1CC1)Nc1cnoc1 606256998 1224346541 /nfs/dbraw/zinc/34/65/41/1224346541.db2.gz RGZLCZIESUVMSC-UHFFFAOYSA-N 0 0 181.195 1.206 10 0 ADAERN C=CC(=O)N1CC[C@@H](C)O[C@@H](C)C1 606257740 1224346695 /nfs/dbraw/zinc/34/66/95/1224346695.db2.gz NLAORWGNNWWLAE-BDAKNGLRSA-N 0 0 183.251 1.198 10 0 ADAERN CONC(=O)c1cscc1Cl 606264525 1224346944 /nfs/dbraw/zinc/34/69/44/1224346944.db2.gz BGRROHLFYSOHLG-UHFFFAOYSA-N 0 0 191.639 1.693 10 0 ADAERN Cc1cccnc1N[C@H]1C[C@@H](CO)C1 606265783 1224347306 /nfs/dbraw/zinc/34/73/06/1224347306.db2.gz WIIUCTZNEQJVBE-AOOOYVTPSA-N 0 0 192.262 1.573 10 0 ADAERN CN(C)c1cc(C(F)(F)F)ncn1 606264047 1224347361 /nfs/dbraw/zinc/34/73/61/1224347361.db2.gz NLMPRMJZZIBLGT-UHFFFAOYSA-N 0 0 191.156 1.561 10 0 ADAERN C[C@H](Nc1cc(N)ncn1)C1(C)CC1 606265725 1224347389 /nfs/dbraw/zinc/34/73/89/1224347389.db2.gz UAHTYDBUKZFMJT-ZETCQYMHSA-N 0 0 192.266 1.659 10 0 ADAERN C/C=C\C(=O)Nc1cccc(OC)n1 606264371 1224347408 /nfs/dbraw/zinc/34/74/08/1224347408.db2.gz AMCWIKVDLPSNAZ-HYXAFXHYSA-N 0 0 192.218 1.605 10 0 ADAERN C[C@@H](Nc1cc(N)ncn1)C1(C)CC1 606265724 1224348000 /nfs/dbraw/zinc/34/80/00/1224348000.db2.gz UAHTYDBUKZFMJT-SSDOTTSWSA-N 0 0 192.266 1.659 10 0 ADAERN C/C=C/C(=O)Nc1cccc(OC)n1 606264370 1224348054 /nfs/dbraw/zinc/34/80/54/1224348054.db2.gz AMCWIKVDLPSNAZ-HWKANZROSA-N 0 0 192.218 1.605 10 0 ADAERN Cc1cc(C)nc(CN2CCCC2)n1 606264723 1224348280 /nfs/dbraw/zinc/34/82/80/1224348280.db2.gz FQOYMXKXKCETFX-UHFFFAOYSA-N 0 0 191.278 1.689 10 0 ADAERN Cc1ccc(N[C@H]2C[C@@H](CO)C2)nc1 606265439 1224348345 /nfs/dbraw/zinc/34/83/45/1224348345.db2.gz DFWNAVBUPASWKQ-AOOOYVTPSA-N 0 0 192.262 1.573 10 0 ADAERN C[C@H](Nc1ncnc(N)n1)C1(C)CC1 606266681 1224348516 /nfs/dbraw/zinc/34/85/16/1224348516.db2.gz VEDCQTYAVJTUDD-LURJTMIESA-N 0 0 193.254 1.054 10 0 ADAERN C[C@@H](Nc1ncnc(N)n1)C1(C)CC1 606266682 1224348640 /nfs/dbraw/zinc/34/86/40/1224348640.db2.gz VEDCQTYAVJTUDD-ZCFIWIBFSA-N 0 0 193.254 1.054 10 0 ADAERN C[C@@H](Nc1cc(=O)[nH]cn1)C1(C)CC1 606266791 1224348704 /nfs/dbraw/zinc/34/87/04/1224348704.db2.gz WYPRORBVIJNQNJ-SSDOTTSWSA-N 0 0 193.250 1.783 10 0 ADAERN C[C@H](Nc1cc(=O)[nH]cn1)C1(C)CC1 606266794 1224348941 /nfs/dbraw/zinc/34/89/41/1224348941.db2.gz WYPRORBVIJNQNJ-ZETCQYMHSA-N 0 0 193.250 1.783 10 0 ADAERN C[C@@H](O)C(C)(C)NC(=O)CCCF 613172216 1224349267 /nfs/dbraw/zinc/34/92/67/1224349267.db2.gz BUZPKVCECNWILU-SSDOTTSWSA-N 0 0 191.246 1.012 10 0 ADAERN CCONC(=O)[C@@H]1CCC[C@H]2C[C@H]21 694312085 1224350499 /nfs/dbraw/zinc/35/04/99/1224350499.db2.gz QYPMMPTYIMDWEO-DJLDLDEBSA-N 0 0 183.251 1.490 10 0 ADAERN 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1224350832 /nfs/dbraw/zinc/35/08/32/1224350832.db2.gz KEFLWFKNIHCMKC-BBBLOLIVSA-N 0 0 195.262 1.587 10 0 ADAERN O=C([C@@H]1CCC[C@H]2C[C@H]21)N1CCCO1 694309243 1224350846 /nfs/dbraw/zinc/35/08/46/1224350846.db2.gz KEFLWFKNIHCMKC-IVZWLZJFSA-N 0 0 195.262 1.587 10 0 ADAERN O=C(OCCC1CCCC1)C1COC1 785761666 1224353743 /nfs/dbraw/zinc/35/37/43/1224353743.db2.gz MQPJHQREAXCUOO-UHFFFAOYSA-N 0 0 198.262 1.756 10 0 ADAERN O=C(OCCO)c1cc[nH]c1C1CC1 792416306 1224354216 /nfs/dbraw/zinc/35/42/16/1224354216.db2.gz IFDVNUMIQADKTE-UHFFFAOYSA-N 0 0 195.218 1.041 10 0 ADAERN CCCCCCN1CC(=O)N(CC)C1 792486619 1224354335 /nfs/dbraw/zinc/35/43/35/1224354335.db2.gz NBCMFTYJQSTHAZ-UHFFFAOYSA-N 0 0 198.310 1.688 10 0 ADAERN C/C=C(\C)C(=O)N[C@@](C)(CO)C(C)C 793764233 1224355071 /nfs/dbraw/zinc/35/50/71/1224355071.db2.gz AMSDBIXILFJEHU-LAHYYIKRSA-N 0 0 199.294 1.476 10 0 ADAERN C/C=C(\C)C(=O)N[C@](C)(CO)C(C)C 793764234 1224355121 /nfs/dbraw/zinc/35/51/21/1224355121.db2.gz AMSDBIXILFJEHU-OALRPVAKSA-N 0 0 199.294 1.476 10 0 ADAERN C/C=C(/C)C(=O)N[C@](C)(CO)C(C)C 793764230 1224355147 /nfs/dbraw/zinc/35/51/47/1224355147.db2.gz AMSDBIXILFJEHU-DHHDDZJSSA-N 0 0 199.294 1.476 10 0 ADAERN CCC/C=C\C(=O)N[C@@H]1[C@H]2COC[C@H]21 794227760 1224355167 /nfs/dbraw/zinc/35/51/67/1224355167.db2.gz PQFGDPWQYCHUKM-ICYVPOFHSA-N 0 0 195.262 1.104 10 0 ADAERN CC/C=C(\C)C(=O)N[C@@H]1[C@H]2COC[C@H]21 794228544 1224355220 /nfs/dbraw/zinc/35/52/20/1224355220.db2.gz VGGUXGVAPKKMHW-VXQZTTGWSA-N 0 0 195.262 1.104 10 0 ADAERN C/C=C(/C)C(=O)N[C@@](C)(CO)C(C)C 793764237 1224355247 /nfs/dbraw/zinc/35/52/47/1224355247.db2.gz AMSDBIXILFJEHU-WDDYJBPVSA-N 0 0 199.294 1.476 10 0 ADAERN CC/C=C(/C)C(=O)N[C@@H]1[C@H]2COC[C@H]21 794228542 1224355380 /nfs/dbraw/zinc/35/53/80/1224355380.db2.gz VGGUXGVAPKKMHW-UUSKNTQYSA-N 0 0 195.262 1.104 10 0 ADAERN CCC/C=C/C(=O)N[C@@H]1[C@H]2COC[C@H]21 794227761 1224355420 /nfs/dbraw/zinc/35/54/20/1224355420.db2.gz PQFGDPWQYCHUKM-RCFZCHSMSA-N 0 0 195.262 1.104 10 0 ADAERN C=C=CCNC(=O)c1coc(C)c1 816699182 1224357153 /nfs/dbraw/zinc/35/71/53/1224357153.db2.gz BNXWQFWXQKFVMF-UHFFFAOYSA-N 0 0 177.203 1.659 10 0 ADAERN C=C=CCNC(=O)CSC(C)(C)C 816699353 1224357244 /nfs/dbraw/zinc/35/72/44/1224357244.db2.gz JDXSVYDBIQYDKF-UHFFFAOYSA-N 0 0 199.319 1.975 10 0 ADAERN O=C(/C=C\[C@@H]1CCCO1)NC1CCC1 819254620 1224357544 /nfs/dbraw/zinc/35/75/44/1224357544.db2.gz RDJWNFBLEJBYSI-GFVADAIESA-N 0 0 195.262 1.390 10 0 ADAERN O=C(/C=C/[C@H]1CCCO1)NC1CCC1 819254623 1224357664 /nfs/dbraw/zinc/35/76/64/1224357664.db2.gz RDJWNFBLEJBYSI-VQCYPWCPSA-N 0 0 195.262 1.390 10 0 ADAERN O=C(/C=C/[C@@H]1CCCO1)NC1CCC1 819254619 1224357737 /nfs/dbraw/zinc/35/77/37/1224357737.db2.gz RDJWNFBLEJBYSI-FGEFZZPRSA-N 0 0 195.262 1.390 10 0 ADAERN O=C(/C=C\[C@H]1CCCO1)NC1CCC1 819254621 1224357756 /nfs/dbraw/zinc/35/77/56/1224357756.db2.gz RDJWNFBLEJBYSI-JYESYGNLSA-N 0 0 195.262 1.390 10 0 ADAERN Cn1cc(-c2ccncc2)ccc1=O 821183969 1224358179 /nfs/dbraw/zinc/35/81/79/1224358179.db2.gz RIMQQGNCVLLBSH-UHFFFAOYSA-N 0 0 186.214 1.447 10 0 ADAERN Cn1cc(-c2cccnc2)ccc1=O 821183345 1224358192 /nfs/dbraw/zinc/35/81/92/1224358192.db2.gz KIPOIPDDTHZFHJ-UHFFFAOYSA-N 0 0 186.214 1.447 10 0 ADAERN C[C@H]1C[C@@H]1CNC(=O)N(C)CCF 837680485 1224359203 /nfs/dbraw/zinc/35/92/03/1224359203.db2.gz ZGEXDWZJUXFAGR-JGVFFNPUSA-N 0 0 188.246 1.253 10 0 ADAERN C[C@H]1C[C@H]1CNC(=O)N(C)CCF 837680488 1224359223 /nfs/dbraw/zinc/35/92/23/1224359223.db2.gz ZGEXDWZJUXFAGR-YUMQZZPRSA-N 0 0 188.246 1.253 10 0 ADAERN C[C@@H]1C[C@H]1CNC(=O)N(C)CCF 837680487 1224359230 /nfs/dbraw/zinc/35/92/30/1224359230.db2.gz ZGEXDWZJUXFAGR-SFYZADRCSA-N 0 0 188.246 1.253 10 0 ADAERN Cn1ccnc1NC(=O)[C@@H]1CC1(C)C 839864764 1224359371 /nfs/dbraw/zinc/35/93/71/1224359371.db2.gz JFYIMOOZPQQSQU-ZETCQYMHSA-N 0 0 193.250 1.405 10 0 ADAERN O=C(NN1CCCC1)[C@H]1CC12CCC2 839798386 1224359395 /nfs/dbraw/zinc/35/93/95/1224359395.db2.gz VQTWEIYRSUSIBQ-SECBINFHSA-N 0 0 194.278 1.304 10 0 ADAERN C/C=C(/CC)C(=O)Nc1nccn1C 839864569 1224359412 /nfs/dbraw/zinc/35/94/12/1224359412.db2.gz BJIONAIRCOCUDL-YWEYNIOJSA-N 0 0 193.250 1.715 10 0 ADAERN CC/C=C(\C)C(=O)Nc1nccn1C 839864500 1224359431 /nfs/dbraw/zinc/35/94/31/1224359431.db2.gz ALRYJBMGXCWGDH-VMPITWQZSA-N 0 0 193.250 1.715 10 0 ADAERN CC(C)[C@@H](F)C(=O)Nc1nccn1C 839865123 1224359451 /nfs/dbraw/zinc/35/94/51/1224359451.db2.gz OWOVRRXNFCDNQX-SSDOTTSWSA-N 0 0 199.229 1.353 10 0 ADAERN Cn1ccnc1NC(=O)C(C)(C)F 839865078 1224359460 /nfs/dbraw/zinc/35/94/60/1224359460.db2.gz OCXVEKZPMJYPMY-UHFFFAOYSA-N 0 0 185.202 1.107 10 0 ADAERN O=C(C=C1CCCC1)NN1CCCC1 839798141 1224359481 /nfs/dbraw/zinc/35/94/81/1224359481.db2.gz RQLUOZPUNIQZIT-UHFFFAOYSA-N 0 0 194.278 1.614 10 0 ADAERN CC/C=C(/C)C(=O)Nc1nccn1C 839864501 1224359487 /nfs/dbraw/zinc/35/94/87/1224359487.db2.gz ALRYJBMGXCWGDH-YVMONPNESA-N 0 0 193.250 1.715 10 0 ADAERN O=C(NN1CCCC1)[C@@H]1CC12CCC2 839798389 1224359498 /nfs/dbraw/zinc/35/94/98/1224359498.db2.gz VQTWEIYRSUSIBQ-VIFPVBQESA-N 0 0 194.278 1.304 10 0 ADAERN CCCC1(C(=O)NN2CCCC2)CC1 839798114 1224359503 /nfs/dbraw/zinc/35/95/03/1224359503.db2.gz RFOLLZZRVMDIKI-UHFFFAOYSA-N 0 0 196.294 1.694 10 0 ADAERN C/C=C(\CC)C(=O)Nc1nccn1C 839864568 1224359516 /nfs/dbraw/zinc/35/95/16/1224359516.db2.gz BJIONAIRCOCUDL-XBXARRHUSA-N 0 0 193.250 1.715 10 0 ADAERN C/C=C/CNC(=O)/C=C(/C)COC 863113568 1224361002 /nfs/dbraw/zinc/36/10/02/1224361002.db2.gz OTIPOCOFEALSAW-ADNKFJFNSA-N 0 0 183.251 1.271 10 0 ADAERN C/C=C/CNC(=O)/C=C(\C)COC 863113569 1224361011 /nfs/dbraw/zinc/36/10/11/1224361011.db2.gz OTIPOCOFEALSAW-NNMZAIBHSA-N 0 0 183.251 1.271 10 0 ADAERN C[C@@H]1OC(=O)N(C2CCCC2)C1=O 871779577 1224361146 /nfs/dbraw/zinc/36/11/46/1224361146.db2.gz FDWHTBRNIAFRJX-LURJTMIESA-N 0 0 183.207 1.296 10 0 ADAERN C[C@H]1OC(=O)N(C2CCCC2)C1=O 871779578 1224361176 /nfs/dbraw/zinc/36/11/76/1224361176.db2.gz FDWHTBRNIAFRJX-ZCFIWIBFSA-N 0 0 183.207 1.296 10 0 ADAERN COc1cncn(CC2CCC2)c1=O 918511034 1224363731 /nfs/dbraw/zinc/36/37/31/1224363731.db2.gz 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1641012211 1224510286 /nfs/dbraw/zinc/51/02/86/1224510286.db2.gz FLWKSHHYZZSUQB-UHFFFAOYSA-N 0 0 189.218 1.340 10 0 ADAERN CCc1cn(C[C@H](CC)OC)cn1 1644227249 1224511022 /nfs/dbraw/zinc/51/10/22/1224511022.db2.gz HGPWKLZLPIIPCI-JTQLQIEISA-N 0 0 182.267 1.871 10 0 ADAERN CCc1cn(C[C@H]2CCCO2)cn1 1644229637 1224511104 /nfs/dbraw/zinc/51/11/04/1224511104.db2.gz IFNBZCRJZBWMCP-SNVBAGLBSA-N 0 0 180.251 1.625 10 0 ADAERN CCc1cn(C[C@@H](CC)OC)cn1 1644227250 1224511123 /nfs/dbraw/zinc/51/11/23/1224511123.db2.gz HGPWKLZLPIIPCI-SNVBAGLBSA-N 0 0 182.267 1.871 10 0 ADAERN O=C(Nc1ccsn1)c1cnco1 1644285743 1224511153 /nfs/dbraw/zinc/51/11/53/1224511153.db2.gz YZFGKOALNAZJEG-UHFFFAOYSA-N 0 0 195.203 1.383 10 0 ADAERN C=C/C=C/CC(=O)N(C)[C@@H](C)CCO 1644311716 1224511371 /nfs/dbraw/zinc/51/13/71/1224511371.db2.gz JRBVMYRPZVXCKA-PORFMDCZSA-N 0 0 197.278 1.348 10 0 ADAERN CCc1cn(CCC2(O)CCC2)cn1 1644227951 1224511498 /nfs/dbraw/zinc/51/14/98/1224511498.db2.gz PPWVZDMBSWMYRV-UHFFFAOYSA-N 0 0 194.278 1.751 10 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MYCQPWSJWFMGKX-UHFFFAOYSA-N 0 0 191.234 1.790 10 0 ADAERN C=C/C=C\CC(=O)N(C)[C@H](C)CCO 1644311717 1224511999 /nfs/dbraw/zinc/51/19/99/1224511999.db2.gz JRBVMYRPZVXCKA-WWQCOOJYSA-N 0 0 197.278 1.348 10 0 ADAERN CC[C@@H](C)C(=O)N1[C@H](C)CC[C@@H]1CO 1644507324 1224512759 /nfs/dbraw/zinc/51/27/59/1224512759.db2.gz PQEKLXPDWKOJCR-OPRDCNLKSA-N 0 0 199.294 1.404 10 0 ADAERN CC[C@H](C)C(=O)N1[C@H](C)CC[C@@H]1CO 1644507323 1224512775 /nfs/dbraw/zinc/51/27/75/1224512775.db2.gz PQEKLXPDWKOJCR-IVZWLZJFSA-N 0 0 199.294 1.404 10 0 ADAERN CON(CC(C)=O)Cc1ccc(C)o1 1644591290 1224513134 /nfs/dbraw/zinc/51/31/34/1224513134.db2.gz JPNRAXUWJDTGLZ-UHFFFAOYSA-N 0 0 197.234 1.540 10 0 ADAERN CC/C=C(\F)C(=O)Nc1cnnn1C 1645463955 1224513636 /nfs/dbraw/zinc/51/36/36/1224513636.db2.gz WUKSHHUYQHMTTJ-XQRVVYSFSA-N 0 0 198.201 1.017 10 0 ADAERN CC[C@@H]1CCc2c(N)noc2C1 669385062 538446897 /nfs/dbraw/zinc/44/68/97/538446897.db2.gz VYWAFCDOPGCGOH-ZCFIWIBFSA-N 0 0 166.224 1.772 10 0 ADAERN CC/C=C(/F)C(=O)Nc1cnnn1C 1645463954 1224514121 /nfs/dbraw/zinc/51/41/21/1224514121.db2.gz WUKSHHUYQHMTTJ-GQCTYLIASA-N 0 0 198.201 1.017 10 0 ADAERN C=Cc1cc(C(=O)OC)c(OC)cn1 1772769114 1224518416 /nfs/dbraw/zinc/51/84/16/1224518416.db2.gz WCWNTRCNTCEHOT-UHFFFAOYSA-N 0 0 193.202 1.520 10 0 ADAERN CC(C)=CCN(C)Cc1ncccn1 1655441663 1224514999 /nfs/dbraw/zinc/51/49/99/1224514999.db2.gz AQXSKTCORNLBJM-UHFFFAOYSA-N 0 0 191.278 1.875 10 0 ADAERN C[C@@H]([C@@H](C)O)n1cc(Cl)cn1 87138236 525855876 /nfs/dbraw/zinc/85/58/76/525855876.db2.gz RFTKIRUZVQYPFL-NTSWFWBYSA-N 0 0 174.631 1.478 10 0 ADAERN CC(=O)CN[C@H](C)c1ncccc1C 1655864239 1224516083 /nfs/dbraw/zinc/51/60/83/1224516083.db2.gz OPOLLYQTIZSVST-SNVBAGLBSA-N 0 0 192.262 1.630 10 0 ADAERN CC(=O)CN[C@@H](C)c1ncccc1C 1655864238 1224516276 /nfs/dbraw/zinc/51/62/76/1224516276.db2.gz OPOLLYQTIZSVST-JTQLQIEISA-N 0 0 192.262 1.630 10 0 ADAERN C[C@H](Sc1nccn1C)[C@@H](C)O 87139532 525856945 /nfs/dbraw/zinc/85/69/45/525856945.db2.gz PBTPKXOHEMXHCC-RQJHMYQMSA-N 0 0 186.280 1.282 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538448848 /nfs/dbraw/zinc/44/88/48/538448848.db2.gz KQBHDBNVCJBLBJ-AXFHLTTASA-N 0 0 193.290 1.971 10 0 ADAERN CO[C@@H](C)CCOc1ccc(C=O)o1 675057938 538449159 /nfs/dbraw/zinc/44/91/59/538449159.db2.gz NPWJFDLINHYWDP-QMMMGPOBSA-N 0 0 198.218 1.896 10 0 ADAERN Cc1cccc([C@H]2CO[C@H](CO)C2)c1 675058389 538449435 /nfs/dbraw/zinc/44/94/35/538449435.db2.gz DANPEZDIBPKRGS-NEPJUHHUSA-N 0 0 192.258 1.860 10 0 ADAERN OC[C@H]1C[C@@H](c2ccccc2F)CO1 675058538 538449586 /nfs/dbraw/zinc/44/95/86/538449586.db2.gz KPDQZQXOZLBNLH-RKDXNWHRSA-N 0 0 196.221 1.691 10 0 ADAERN CCCc1onc(C)c1CO 675056164 538449594 /nfs/dbraw/zinc/44/95/94/538449594.db2.gz KLNWSQHEZZWDJQ-UHFFFAOYSA-N 0 0 155.197 1.428 10 0 ADAERN C[C@@H](O)c1ccc(OC[C@@H]2CO2)cc1 139655481 525869165 /nfs/dbraw/zinc/86/91/65/525869165.db2.gz AZLYVNHKHYMJEJ-LDYMZIIASA-N 0 0 194.230 1.518 10 0 ADAERN C[C@@H](O)c1ccc2c(c1)N(C)CCO2 74538120 525869668 /nfs/dbraw/zinc/86/96/68/525869668.db2.gz OOUZLKBAYIKHGA-MRVPVSSYSA-N 0 0 193.246 1.569 10 0 ADAERN C[C@H](C(=O)N1CCCO1)C1CC1 164340579 525967980 /nfs/dbraw/zinc/96/79/80/525967980.db2.gz IWSCYKDQQIOLAX-ZETCQYMHSA-N 0 0 169.224 1.196 10 0 ADAERN Cc1cnc(C)c(N[C@H]2C[C@@H]2C)n1 83812941 525985114 /nfs/dbraw/zinc/98/51/14/525985114.db2.gz OOISTSWCPBEGKV-RCOVLWMOSA-N 0 0 177.251 1.914 10 0 ADAERN Cc1ccc(C(=O)N(C)C)c(C)n1 70227106 526054252 /nfs/dbraw/zinc/05/42/52/526054252.db2.gz OEWVAZXJGISONL-UHFFFAOYSA-N 0 0 178.235 1.400 10 0 ADAERN CC1=CCN(c2ncc(C)cn2)CC1 334445427 526069255 /nfs/dbraw/zinc/06/92/55/526069255.db2.gz GAHLHFVDTYTLCK-UHFFFAOYSA-N 0 0 189.262 1.941 10 0 ADAERN Cc1cnc(N[C@@H]2CC2(C)C)nc1 63048887 526095443 /nfs/dbraw/zinc/09/54/43/526095443.db2.gz PJDIEXNOKYPPBW-MRVPVSSYSA-N 0 0 177.251 1.995 10 0 ADAERN Cc1ccc(C(=O)N2CCCO2)s1 164340040 526095951 /nfs/dbraw/zinc/09/59/51/526095951.db2.gz SJEZXOXPOXLRHE-UHFFFAOYSA-N 0 0 197.259 1.834 10 0 ADAERN Cc1ccc2c(c1)N(C)CCO2 60080895 526168274 /nfs/dbraw/zinc/16/82/74/526168274.db2.gz GLGGXYYPFRVUQW-UHFFFAOYSA-N 0 0 163.220 1.824 10 0 ADAERN Cc1ccc2c(c1)N(C)CCN2 82404773 526168614 /nfs/dbraw/zinc/16/86/14/526168614.db2.gz LAJZWDDTAYGQBR-UHFFFAOYSA-N 0 0 162.236 1.857 10 0 ADAERN Cc1ccc2c(c1)N[C@@H](C)C(=O)N2C 76890902 526172353 /nfs/dbraw/zinc/17/23/53/526172353.db2.gz MQIMWVUEQAWWQM-QMMMGPOBSA-N 0 0 190.246 1.772 10 0 ADAERN Cc1ccc2c(c1)NCC(=O)N2C 76890500 526172784 /nfs/dbraw/zinc/17/27/84/526172784.db2.gz BEVIMOYOAJMYFD-UHFFFAOYSA-N 0 0 176.219 1.383 10 0 ADAERN Cc1ccc2c(c1)N[C@H](C)C(=O)N2C 76890901 526173285 /nfs/dbraw/zinc/17/32/85/526173285.db2.gz MQIMWVUEQAWWQM-MRVPVSSYSA-N 0 0 190.246 1.772 10 0 ADAERN Cc1ccc2c(c1C)OCC(=O)N2C 62520903 526221515 /nfs/dbraw/zinc/22/15/15/526221515.db2.gz DMXXZGGYJMEXAL-UHFFFAOYSA-N 0 0 191.230 1.659 10 0 ADAERN Cc1cc(C(=O)N(C)[C@@H](C)CO)co1 161554759 526223901 /nfs/dbraw/zinc/22/39/01/526223901.db2.gz HULJDIKEVBGECS-ZETCQYMHSA-N 0 0 197.234 1.041 10 0 ADAERN Cc1cc(C(=O)N2CCCO2)c(C)o1 164339379 526245728 /nfs/dbraw/zinc/24/57/28/526245728.db2.gz ZTFXOOAYJPOUMS-UHFFFAOYSA-N 0 0 195.218 1.674 10 0 ADAERN C[C@H]1CCCCN1c1cnc(N)cn1 72192489 526252931 /nfs/dbraw/zinc/25/29/31/526252931.db2.gz BQNXNRDGYAJATB-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H]1CCCCN1c1cncc(N)n1 72192521 526253017 /nfs/dbraw/zinc/25/30/17/526253017.db2.gz DNLXKUJUZBXLQE-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN C[C@H]1CCCCN1c1nccc(N)n1 72192612 526253318 /nfs/dbraw/zinc/25/33/18/526253318.db2.gz BOLFAFXUUSBXBL-QMMMGPOBSA-N 0 0 192.266 1.438 10 0 ADAERN FCCN1CCOc2cc(F)ccc21 335707176 526285183 /nfs/dbraw/zinc/28/51/83/526285183.db2.gz HUWUAMPWDFJYGT-UHFFFAOYSA-N 0 0 199.200 1.994 10 0 ADAERN FCCN1CCOc2ccc(F)cc21 335775898 526285755 /nfs/dbraw/zinc/28/57/55/526285755.db2.gz HNAQJVHJKZBXHL-UHFFFAOYSA-N 0 0 199.200 1.994 10 0 ADAERN FCCN1CCOc2ccccc21 306388570 526285884 /nfs/dbraw/zinc/28/58/84/526285884.db2.gz VRLNDTSWAFQEOC-UHFFFAOYSA-N 0 0 181.210 1.855 10 0 ADAERN O=C(C1CCCCC1)N1CCCO1 164351111 526298304 /nfs/dbraw/zinc/29/83/04/526298304.db2.gz RDHBPWZBGPQKNK-UHFFFAOYSA-N 0 0 183.251 1.731 10 0 ADAERN O[C@H]1CCN2CCNc3cccc1c32 82320015 526312903 /nfs/dbraw/zinc/31/29/03/526312903.db2.gz NYGTVSQIOITHKE-JTQLQIEISA-N 0 0 190.246 1.356 10 0 ADAERN O=C(CC(F)(F)F)N1CCCO1 164355607 526320746 /nfs/dbraw/zinc/32/07/46/526320746.db2.gz LWISBFZDMIDJSN-UHFFFAOYSA-N 0 0 183.129 1.103 10 0 ADAERN O=C(CC1CC1)N[C@H]1CCCOC1 238818048 526345245 /nfs/dbraw/zinc/34/52/45/526345245.db2.gz BYLRVUFBKKMJQL-VIFPVBQESA-N 0 0 183.251 1.082 10 0 ADAERN O=C(CC1CCCC1)N1CCCO1 164341242 526353595 /nfs/dbraw/zinc/35/35/95/526353595.db2.gz IXGQUZJXBAIXQD-UHFFFAOYSA-N 0 0 183.251 1.731 10 0 ADAERN Fc1ccc(N[C@@H]2CCCOC2)nc1 71014337 526355985 /nfs/dbraw/zinc/35/59/85/526355985.db2.gz ZBPUGNNMXPXEHX-SECBINFHSA-N 0 0 196.225 1.812 10 0 ADAERN Cc1nnc(NC[C@@H]2C[C@H]2C)s1 163996289 526371667 /nfs/dbraw/zinc/37/16/67/526371667.db2.gz AKOUHDOOMVVCQA-VDTYLAMSSA-N 0 0 183.280 1.914 10 0 ADAERN Cc1nnc(N[C@@H]2C[C@H]2C)s1 83119586 526374022 /nfs/dbraw/zinc/37/40/22/526374022.db2.gz MOCSNHVAEJVFJE-INEUFUBQSA-N 0 0 169.253 1.667 10 0 ADAERN Oc1cncc(N2CCCCC2)c1 72192829 526375311 /nfs/dbraw/zinc/37/53/11/526375311.db2.gz PRARFGSUHVDDGV-UHFFFAOYSA-N 0 0 178.235 1.778 10 0 ADAERN Fc1ccc2c3c1CCCN3CCO2 75883412 526375626 /nfs/dbraw/zinc/37/56/26/526375626.db2.gz UNGRCRKOWYEWJN-UHFFFAOYSA-N 0 0 193.221 1.971 10 0 ADAERN S=c1[nH][nH]c(=S)[nH]1 6523893 526386411 /nfs/dbraw/zinc/38/64/11/526386411.db2.gz WYENVTYBQKCILL-UHFFFAOYSA-N 0 0 133.201 1.130 10 0 ADAERN S=C1NCCCN1c1ccccc1 136711971 526387477 /nfs/dbraw/zinc/38/74/77/526387477.db2.gz XVQJQQSMGZQFHD-UHFFFAOYSA-N 0 0 192.287 1.771 10 0 ADAERN S=c1ncc2c([nH]1)C1CCN2CC1 100903632 526387737 /nfs/dbraw/zinc/38/77/37/526387737.db2.gz NPPCBCUXGSDJEE-UHFFFAOYSA-N 0 0 193.275 1.463 10 0 ADAERN c1c[nH]c(-c2cscn2)n1 82703630 526404933 /nfs/dbraw/zinc/40/49/33/526404933.db2.gz GNJZOFQWXUDAEZ-UHFFFAOYSA-N 0 0 151.194 1.533 10 0 ADAERN Fc1ccccc1N1CCOCC1 82713049 526413205 /nfs/dbraw/zinc/41/32/05/526413205.db2.gz FVAOJYTUDSWJHT-UHFFFAOYSA-N 0 0 181.210 1.662 10 0 ADAERN Fc1cccnc1N[C@H]1CCCOC1 71014274 526420355 /nfs/dbraw/zinc/42/03/55/526420355.db2.gz IBANLGBSXHYDBU-QMMMGPOBSA-N 0 0 196.225 1.812 10 0 ADAERN Cc1csc([C@H](C)NC(N)=O)n1 70650063 526435400 /nfs/dbraw/zinc/43/54/00/526435400.db2.gz IVAAGDPAUUASQX-YFKPBYRVSA-N 0 0 185.252 1.181 10 0 ADAERN Cc1[nH]nc(C(=O)NCC(C)C)c1C 82299707 526480797 /nfs/dbraw/zinc/48/07/97/526480797.db2.gz YIMOTYNNNAWSGA-UHFFFAOYSA-N 0 0 195.266 1.412 10 0 ADAERN c1ccc(N2C[C@@H]3CC[C@H](C2)O3)nc1 335683882 526481794 /nfs/dbraw/zinc/48/17/94/526481794.db2.gz LQMQGXJTVXSCON-AOOOYVTPSA-N 0 0 190.246 1.449 10 0 ADAERN c1cnc2c(c1)NC[C@H]1CCCCN21 82390792 526542728 /nfs/dbraw/zinc/54/27/28/526542728.db2.gz DPEMRPOXABPFLH-SECBINFHSA-N 0 0 189.262 1.866 10 0 ADAERN c1cnc2c(c1)NC[C@@H]1CCCCN21 82390793 526542961 /nfs/dbraw/zinc/54/29/61/526542961.db2.gz DPEMRPOXABPFLH-VIFPVBQESA-N 0 0 189.262 1.866 10 0 ADAERN O=C(CC[C@H]1CCCO1)N1CCCO1 164342138 526569538 /nfs/dbraw/zinc/56/95/38/526569538.db2.gz MHVJAGDVVTVEFZ-SECBINFHSA-N 0 0 199.250 1.110 10 0 ADAERN c1ncc2c(n1)CN=N2 39053822 526613258 /nfs/dbraw/zinc/61/32/58/526613258.db2.gz RVBFFVXIPSUPRL-UHFFFAOYSA-N 0 0 120.115 1.074 10 0 ADAERN c1nnc(NC2CCC2)s1 69966687 526623109 /nfs/dbraw/zinc/62/31/09/526623109.db2.gz DOTKVDOOEVKEKK-UHFFFAOYSA-N 0 0 155.226 1.503 10 0 ADAERN c1ncc2cocc2n1 39053843 526629068 /nfs/dbraw/zinc/62/90/68/526629068.db2.gz WGBWKGXFYKPJOQ-UHFFFAOYSA-N 0 0 120.111 1.223 10 0 ADAERN Cc1noc(Cc2cccc(O)c2)n1 82644384 526629952 /nfs/dbraw/zinc/62/99/52/526629952.db2.gz NBHGBTLSBNQROM-UHFFFAOYSA-N 0 0 190.202 1.674 10 0 ADAERN Cc1noc(NC(=O)C2CC2)c1C 229763298 526638473 /nfs/dbraw/zinc/63/84/73/526638473.db2.gz OKOOKTUVIBWMAU-UHFFFAOYSA-N 0 0 180.207 1.640 10 0 ADAERN Brc1cncc2nnoc12 504413667 526651384 /nfs/dbraw/zinc/65/13/84/526651384.db2.gz RALINDLHCXUORH-UHFFFAOYSA-N 0 0 199.995 1.380 10 0 ADAERN Cc1nsc(N[C@H]2C[C@H]2C)n1 83648551 526716142 /nfs/dbraw/zinc/71/61/42/526716142.db2.gz RTHUDTVSYIOGEL-XINAWCOVSA-N 0 0 169.253 1.667 10 0 ADAERN Cc1nsc(S[C@@H](C)CO)n1 161174207 526717813 /nfs/dbraw/zinc/71/78/13/526717813.db2.gz CDFRUFVSKHRLMG-BYPYZUCNSA-N 0 0 190.293 1.319 10 0 ADAERN Cc1occc1C(=O)N(C)[C@@H](C)CO 158810665 526801305 /nfs/dbraw/zinc/80/13/05/526801305.db2.gz FJOAVQCQNIWWND-ZETCQYMHSA-N 0 0 197.234 1.041 10 0 ADAERN O=C(NCc1cscn1)NC1CC1 136329450 526814341 /nfs/dbraw/zinc/81/43/41/526814341.db2.gz CQATXQYKWXTRBY-UHFFFAOYSA-N 0 0 197.263 1.105 10 0 ADAERN NC(=O)N1CC=Cc2ccccc21 95934525 526915209 /nfs/dbraw/zinc/91/52/09/526915209.db2.gz WZQDSHZMIONMBH-UHFFFAOYSA-N 0 0 174.203 1.599 10 0 ADAERN Cc1nc(N2CC(CO)C2)sc1C 84988467 526961237 /nfs/dbraw/zinc/96/12/37/526961237.db2.gz AUIRWOPCLKRZLY-UHFFFAOYSA-N 0 0 198.291 1.188 10 0 ADAERN O=C1CCCCN1c1ccccc1O 75580119 526971889 /nfs/dbraw/zinc/97/18/89/526971889.db2.gz GWHIEQINYYIZSW-UHFFFAOYSA-N 0 0 191.230 1.909 10 0 ADAERN O=C1CCCNN1c1ccc(F)cc1 77295149 526982219 /nfs/dbraw/zinc/98/22/19/526982219.db2.gz MPAPPAFPTZAJGZ-UHFFFAOYSA-N 0 0 194.209 1.457 10 0 ADAERN O=C1CCCNN1c1cccc(F)c1 77295150 526982240 /nfs/dbraw/zinc/98/22/40/526982240.db2.gz YIMYMXDVXVVONG-UHFFFAOYSA-N 0 0 194.209 1.457 10 0 ADAERN O=C1CCCNN1c1ccccc1F 77295147 526982387 /nfs/dbraw/zinc/98/23/87/526982387.db2.gz YCBYGERUABMSFW-UHFFFAOYSA-N 0 0 194.209 1.457 10 0 ADAERN O=C1CCCNN1c1ccccc1 77254980 526982551 /nfs/dbraw/zinc/98/25/51/526982551.db2.gz WMEGDKMQIKSTCY-UHFFFAOYSA-N 0 0 176.219 1.318 10 0 ADAERN O=C1CCN2CCNc3cccc1c32 82320011 526989157 /nfs/dbraw/zinc/98/91/57/526989157.db2.gz GURLLMGXZKDLJJ-UHFFFAOYSA-N 0 0 188.230 1.505 10 0 ADAERN O=C1CCN2CCOc3cccc1c32 96915714 526989645 /nfs/dbraw/zinc/98/96/45/526989645.db2.gz LNDYPQLQMFXNOK-UHFFFAOYSA-N 0 0 189.214 1.472 10 0 ADAERN O=C1CCN(c2ncccc2F)CC1 54700405 526990320 /nfs/dbraw/zinc/99/03/20/526990320.db2.gz DJMZCROAFOQIPA-UHFFFAOYSA-N 0 0 194.209 1.390 10 0 ADAERN O=C1CCc2cccc3c2N1CCN3 82320008 526998953 /nfs/dbraw/zinc/99/89/53/526998953.db2.gz WKGYNDXULCRZGO-UHFFFAOYSA-N 0 0 188.230 1.391 10 0 ADAERN O=C1CNc2ccccc2N1CCF 76890071 527012495 /nfs/dbraw/zinc/01/24/95/527012495.db2.gz SRRUHZBTLZPORW-UHFFFAOYSA-N 0 0 194.209 1.415 10 0 ADAERN O=C1CNc2cccnc2N1C1CC1 96888960 527012650 /nfs/dbraw/zinc/01/26/50/527012650.db2.gz DQKXWUNONRWESU-UHFFFAOYSA-N 0 0 189.218 1.003 10 0 ADAERN NC(=O)c1cc(N)c(F)cc1Cl 78040706 527028667 /nfs/dbraw/zinc/02/86/67/527028667.db2.gz ZZSRYELFEMGSMK-UHFFFAOYSA-N 0 0 188.589 1.160 10 0 ADAERN O=C1N=CC=C2C=CCC=C12 39049998 527046901 /nfs/dbraw/zinc/04/69/01/527046901.db2.gz HJLMAIQISHSIJF-UHFFFAOYSA-N 0 0 145.161 1.410 10 0 ADAERN O=C1OCC=NN1c1ccccc1F 75251405 527093469 /nfs/dbraw/zinc/09/34/69/527093469.db2.gz QRJYQBDEBLKELZ-UHFFFAOYSA-N 0 0 194.165 1.768 10 0 ADAERN O=C1OCc2ccccc2N1O 211850635 527099771 /nfs/dbraw/zinc/09/97/71/527099771.db2.gz RCPLXIXUWKMJLJ-UHFFFAOYSA-N 0 0 165.148 1.532 10 0 ADAERN NC(=S)N1CCOc2ccccc21 77254427 527109608 /nfs/dbraw/zinc/10/96/08/527109608.db2.gz XYXHBZCPJOQQDE-UHFFFAOYSA-N 0 0 194.259 1.129 10 0 ADAERN CC(=O)Oc1cc(C)c(N)c(C)c1 3601367 527118487 /nfs/dbraw/zinc/11/84/87/527118487.db2.gz REJOKVIJMOKWPZ-UHFFFAOYSA-N 0 0 179.219 1.811 10 0 in-vitro ADAERN O=Cc1ccc2c(c1)CCCN2C=O 72417490 527151604 /nfs/dbraw/zinc/15/16/04/527151604.db2.gz XFYNCOJSLAEZDS-UHFFFAOYSA-N 0 0 189.214 1.408 10 0 ADAERN Cc1nc2ncc(Cl)cn2c1N 84825543 527203122 /nfs/dbraw/zinc/20/31/22/527203122.db2.gz RPNUAOOPVBTTJV-UHFFFAOYSA-N 0 0 182.614 1.273 10 0 ADAERN NCc1nc(C2CCSCC2)no1 258206908 527265939 /nfs/dbraw/zinc/26/59/39/527265939.db2.gz XHLUQZLTFKSMMY-UHFFFAOYSA-N 0 0 199.279 1.139 10 0 ADAERN NN1CCSc2ccccc21 145675596 527269361 /nfs/dbraw/zinc/26/93/61/527269361.db2.gz SDASKVKPRRZVMT-UHFFFAOYSA-N 0 0 166.249 1.472 10 0 ADAERN O=C(Cc1ccccc1)N1CCCO1 163950501 527277665 /nfs/dbraw/zinc/27/76/65/527277665.db2.gz NEHIJJUCAPIYCV-UHFFFAOYSA-N 0 0 191.230 1.393 10 0 ADAERN Cc1ncc(N)c(NC(C)C)n1 88189350 527287054 /nfs/dbraw/zinc/28/70/54/527287054.db2.gz BJZHGBPBRVUUDR-UHFFFAOYSA-N 0 0 166.228 1.188 10 0 ADAERN NS(=O)(=O)c1ccc2ccoc2c1 39054564 527319204 /nfs/dbraw/zinc/31/92/04/527319204.db2.gz MHXCFNLGOHUUCF-UHFFFAOYSA-N 0 0 197.215 1.080 10 0 ADAERN CC(C)(O)c1ccc(N)c(N)c1 306988917 527369006 /nfs/dbraw/zinc/36/90/06/527369006.db2.gz GMYRDCRUTGKBKB-UHFFFAOYSA-N 0 0 166.224 1.078 10 0 ADAERN Cn1cccc1CC(=O)OC(C)(C)C 390822320 527392039 /nfs/dbraw/zinc/39/20/39/527392039.db2.gz FNYYLCLHBGSYCK-UHFFFAOYSA-N 0 0 195.262 1.909 10 0 ADAERN [NH3+][C@H]1C[C@@H]1c1cccc(C(=O)[O-])c1 95628911 527419124 /nfs/dbraw/zinc/41/91/24/527419124.db2.gz UTGWCDNURNTBMA-BDAKNGLRSA-N 0 0 177.203 1.199 10 0 ADAERN Cc1nccn1CC[C@H]1CCCO1 83531412 527434317 /nfs/dbraw/zinc/43/43/17/527434317.db2.gz ALVUVMFWABVNCR-SNVBAGLBSA-N 0 0 180.251 1.761 10 0 ADAERN Cc1ncn([C@H](C)[C@@H](C)O)c1C 51927998 527463329 /nfs/dbraw/zinc/46/33/29/527463329.db2.gz WDFVJGJZNOFOCP-RKDXNWHRSA-N 0 0 168.240 1.442 10 0 ADAERN O=C(NC1(CO)CC1)c1ccsc1 159908633 527471737 /nfs/dbraw/zinc/47/17/37/527471737.db2.gz BGIOXRNJRBNARC-UHFFFAOYSA-N 0 0 197.259 1.003 10 0 ADAERN Cc1ncsc1C(=O)N1CCCO1 164347999 527477047 /nfs/dbraw/zinc/47/70/47/527477047.db2.gz NPOZPPFHFWUCAG-UHFFFAOYSA-N 0 0 198.247 1.229 10 0 ADAERN O=c1cccc(Cc2ccccc2)[nH]1 38892344 527488650 /nfs/dbraw/zinc/48/86/50/527488650.db2.gz NEXYFEYISMLKMD-UHFFFAOYSA-N 0 0 185.226 1.966 10 0 ADAERN O=c1cccnn1Cc1ccccc1 146139106 527490004 /nfs/dbraw/zinc/49/00/04/527490004.db2.gz FSXKVYGFNNIDBZ-UHFFFAOYSA-N 0 0 186.214 1.292 10 0 ADAERN Nc1ccc(N2CCCOC2=O)cn1 61680678 527490893 /nfs/dbraw/zinc/49/08/93/527490893.db2.gz SWCJHPSMURMVOF-UHFFFAOYSA-N 0 0 193.206 1.011 10 0 ADAERN Nc1ccc(N2CCCCC2=O)nc1 113064587 527491272 /nfs/dbraw/zinc/49/12/72/527491272.db2.gz ZSLFOJJFCSKUJS-UHFFFAOYSA-N 0 0 191.234 1.181 10 0 ADAERN O=C(NC1CC1)c1cncc(Cl)c1 238559546 527496975 /nfs/dbraw/zinc/49/69/75/527496975.db2.gz GZSIIRMHKCIUCX-UHFFFAOYSA-N 0 0 196.637 1.627 10 0 ADAERN OC1(C2CC2)CN(CC(F)(F)F)C1 84377282 527504785 /nfs/dbraw/zinc/50/47/85/527504785.db2.gz OIDDIMMEUAQEKA-UHFFFAOYSA-N 0 0 195.184 1.005 10 0 ADAERN O=C(NC1CCCC1)N1CCCO1 164599144 527506422 /nfs/dbraw/zinc/50/64/22/527506422.db2.gz UOXWBUPOZJIHEZ-UHFFFAOYSA-N 0 0 184.239 1.276 10 0 ADAERN Nc1ccc2c3c1CCCN3CCC2 71491600 527509365 /nfs/dbraw/zinc/50/93/65/527509365.db2.gz FAPSTFZBJMPYMU-UHFFFAOYSA-N 0 0 188.274 1.968 10 0 ADAERN OC1CCN(c2cccnc2)CC1 76602838 527516478 /nfs/dbraw/zinc/51/64/78/527516478.db2.gz UTCZEZIPWBTXDC-UHFFFAOYSA-N 0 0 178.235 1.043 10 0 ADAERN OC1CN(Cc2c(F)cccc2F)C1 166690810 527517065 /nfs/dbraw/zinc/51/70/65/527517065.db2.gz OAIGTPNFLAQNTQ-UHFFFAOYSA-N 0 0 199.200 1.141 10 0 ADAERN O=C1NN=C2CCCC=C12 228912845 527514512 /nfs/dbraw/zinc/51/45/12/527514512.db2.gz CSXRAYLSUSOLIR-UHFFFAOYSA-N 0 0 136.154 1.423 10 0 ADAERN Nc1cccc2c1CCCN2C=O 71476905 527521793 /nfs/dbraw/zinc/52/17/93/527521793.db2.gz LDNUFQCTNPYPDT-UHFFFAOYSA-N 0 0 176.219 1.178 10 0 ADAERN Nc1cccc2c1CCCN2CCF 87776559 527522545 /nfs/dbraw/zinc/52/25/45/527522545.db2.gz QOQCJPQUKBUXEC-UHFFFAOYSA-N 0 0 194.253 1.991 10 0 ADAERN C/C(=C\[C@H]1COC(C)(C)O1)[C@H](C)O 307417632 527524263 /nfs/dbraw/zinc/52/42/63/527524263.db2.gz WNIGRXRFHNNEON-NHELSVQFSA-N 0 0 186.251 1.465 10 0 ADAERN C/C(=C\[C@H]1COC(C)(C)O1)[C@@H](C)O 307417631 527524966 /nfs/dbraw/zinc/52/49/66/527524966.db2.gz WNIGRXRFHNNEON-FQDVODHFSA-N 0 0 186.251 1.465 10 0 ADAERN OCC1CN(c2ccc(Cl)cn2)C1 84988380 527529906 /nfs/dbraw/zinc/52/99/06/527529906.db2.gz ZLGYUDOCLBMMOB-UHFFFAOYSA-N 0 0 198.653 1.164 10 0 ADAERN Nc1cnc(N2CCCCC2)cn1 72192486 527536756 /nfs/dbraw/zinc/53/67/56/527536756.db2.gz PKFUFKBRKILJEZ-UHFFFAOYSA-N 0 0 178.239 1.049 10 0 ADAERN Nc1cnccc1N1CCCOC1=O 62726078 527537006 /nfs/dbraw/zinc/53/70/06/527537006.db2.gz URIFXFAQSBSMJP-UHFFFAOYSA-N 0 0 193.206 1.011 10 0 ADAERN Nc1cncc(N2CCCCC2)n1 72192519 527537070 /nfs/dbraw/zinc/53/70/70/527537070.db2.gz HNUHHNKXHOIGKT-UHFFFAOYSA-N 0 0 178.239 1.049 10 0 ADAERN Nc1cnccc1N1CCCCC1=O 62726064 527537076 /nfs/dbraw/zinc/53/70/76/527537076.db2.gz ZBXRTZGSTMTQLQ-UHFFFAOYSA-N 0 0 191.234 1.181 10 0 ADAERN OCCCN1CCOc2ccccc21 334235281 527540862 /nfs/dbraw/zinc/54/08/62/527540862.db2.gz QLDHJOBFTAHJDN-UHFFFAOYSA-N 0 0 193.246 1.268 10 0 ADAERN OCCCN1CCNc2ccccc21 76894480 527541288 /nfs/dbraw/zinc/54/12/88/527541288.db2.gz XEMPPBPWQJTANE-UHFFFAOYSA-N 0 0 192.262 1.301 10 0 ADAERN OCCN1CCSc2ccccc21 143192100 527552611 /nfs/dbraw/zinc/55/26/11/527552611.db2.gz DRYBSQAYQCBZHS-UHFFFAOYSA-N 0 0 195.287 1.591 10 0 ADAERN Nc1cc(N)c2nc(N)sc2c1 5571591 527559304 /nfs/dbraw/zinc/55/93/04/527559304.db2.gz RSTCYGDZZYYAFL-UHFFFAOYSA-N 0 0 180.236 1.043 10 0 ADAERN OCCn1ccc(-c2ccccc2)n1 147940818 527576198 /nfs/dbraw/zinc/57/61/98/527576198.db2.gz GRFFIHBQJRQLJA-UHFFFAOYSA-N 0 0 188.230 1.542 10 0 ADAERN Nc1noc2c1cnc1ccccc12 87545274 527579186 /nfs/dbraw/zinc/57/91/86/527579186.db2.gz CZUDWGAKMXSUSZ-UHFFFAOYSA-N 0 0 185.186 1.958 10 0 ADAERN ON1CCN(c2ccccc2)CC1 95922981 527643136 /nfs/dbraw/zinc/64/31/36/527643136.db2.gz FIYPCBXQRMGEMK-UHFFFAOYSA-N 0 0 178.235 1.198 10 0 ADAERN O[C@@H](CC1CC1)c1ccccn1 82999775 527645543 /nfs/dbraw/zinc/64/55/43/527645543.db2.gz DARVIUKKPDPWFM-JTQLQIEISA-N 0 0 163.220 1.915 10 0 ADAERN O=C([O-])[C@@H]1CC2=C(CCCC2)[NH2+]1 100204865 527658061 /nfs/dbraw/zinc/65/80/61/527658061.db2.gz DAYHIOWULIYLFZ-QMMMGPOBSA-N 0 0 167.208 1.261 10 0 ADAERN O[C@@H](Cn1cccn1)C1CCCCC1 158480550 527665329 /nfs/dbraw/zinc/66/53/29/527665329.db2.gz CTDOJNLEDZIWGQ-NSHDSACASA-N 0 0 194.278 1.824 10 0 ADAERN O[C@@H]1CCC[C@@H]2[C@H]1[C@H]2C(F)(F)F 238851072 527672566 /nfs/dbraw/zinc/67/25/66/527672566.db2.gz DWJWMRFZTXIIHF-GBNDHIKLSA-N 0 0 180.169 1.956 10 0 ADAERN O[C@@H]1CCN2CCNc3cccc1c32 82320017 527674912 /nfs/dbraw/zinc/67/49/12/527674912.db2.gz NYGTVSQIOITHKE-SNVBAGLBSA-N 0 0 190.246 1.356 10 0 ADAERN O[C@H](CC1CC1)c1ccccn1 82999774 527682146 /nfs/dbraw/zinc/68/21/46/527682146.db2.gz DARVIUKKPDPWFM-SNVBAGLBSA-N 0 0 163.220 1.915 10 0 ADAERN CCC[C@H](C)C[C@H]([NH3+])CC(=O)[O-] 3817952 528039712 /nfs/dbraw/zinc/03/97/12/528039712.db2.gz JXEHXYFSIOYTAH-YUMQZZPRSA-N 0 0 173.256 1.615 10 0 ADAERN CC1=NC(=S)C2=CN=NC2=N1 307679275 528145334 /nfs/dbraw/zinc/14/53/34/528145334.db2.gz MADSCJJVMUFTSB-UHFFFAOYSA-N 0 0 164.193 1.494 10 0 ADAERN CCCN1C=CN(C)[C@H]1C 504029054 528176144 /nfs/dbraw/zinc/17/61/44/528176144.db2.gz ALSIFQIAIHCPAA-MRVPVSSYSA-N 0 0 140.230 1.461 10 0 ADAERN CC(C)N(C(=O)C1CC1)C1COC1 334545248 528767865 /nfs/dbraw/zinc/76/78/65/528767865.db2.gz WLLIUWVNFTTYQD-UHFFFAOYSA-N 0 0 183.251 1.032 10 0 ADAERN CCc1cnc2c(c1)COC2=O 504409472 529664957 /nfs/dbraw/zinc/66/49/57/529664957.db2.gz KUEQQIFXECPEOH-UHFFFAOYSA-N 0 0 163.176 1.314 10 0 ADAERN